CC(C)(C)c1ccc2occ(CC(=O)Nc3ccccc3F)c2c1 Fc1ccccc1[*:1] CC(C)(C)c1ccc2occ(CC(=O)N[*:1])c2c1
CC(C)(C)c1ccc2occ(CC(=O)Nc3ccccc3F)c2c1 CC(C)(C)[*:1] O=C(Cc1coc2ccc(cc12)[*:1])Nc1ccccc1F
C[C@@H]1CC(Nc2cncc(-c3nncn3C)c2)C[C@@H](C)C1 Cn1cnnc1[*:1] C[C@@H]1CC(C[C@@H](C)C1)Nc1cncc(c1)[*:1]
N#Cc1ccc(-c2ccc(O[C@@H](C(=O)N3CCCC3)c3ccccc3)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C([C@H](Oc1ccc(cc1)[*:1])c1ccccc1)N1CCCC1
N#Cc1ccc(-c2ccc(O[C@@H](C(=O)N3CCCC3)c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)-c1ccc(cc1)O[C@@H](C(=O)N1CCCC1)[*:1]
N#Cc1ccc(-c2ccc(O[C@@H](C(=O)N3CCCC3)c3ccccc3)cc2)cc1 O=C(N1CCCC1)[*:1] N#Cc1ccc(cc1)-c1ccc(cc1)O[C@@H](c1ccccc1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)C1 Cc1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1nc(n2CCCCCc12)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)C1 CCOC(=O)[*:1] Cc1ccc(cc1)-c1nc(C(=O)N2CCC[C@H](C2)[*:1])c2CCCCCn12
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C([O-])[C@H](C#N)C12CCCCC2 Clc1cccc(c1)[*:1] N#CC1=C(N=C([O-])[C@H](C#N)C12CCCCC2)SCC(=O)N[*:1]
COc1ccc(C(=O)N(C)[C@@H](C)C/C(N)=N/O)cc1O N/C(C[*:1])=N\O COc1ccc(cc1O)C(=O)N(C)[C@@H](C)[*:1]
COc1ccc(C(=O)N(C)[C@@H](C)C/C(N)=N/O)cc1O N/C(=N\O)[*:1] COc1ccc(cc1O)C(=O)N(C)[C@@H](C)C[*:1]
O=C(Nc1nc[nH]n1)c1cccnc1Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1nc[nH]n1)c1cccnc1N[*:1]
Cc1c(/C=N/c2cc(Br)ccn2)c(O)n2c(nc3ccccc32)c1C#N Brc1ccnc(c1)[*:1] Cc1c(C=N[*:1])c(O)n2c(nc3ccccc32)c1C#N
CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c1 CCO[*:1] CCOc1ccc(c(c1)[C@H]1C(C#N)=C(N)N(C2CCCC(=O)C=21)c1ccccc1C(F)(F)F)[*:1]
CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c1 CCO[*:1] CCOc1ccc(cc1[C@H]1C(C#N)=C(N)N(C2CCCC(=O)C=21)c1ccccc1C(F)(F)F)[*:1]
CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c1 FC(F)(F)c1ccccc1[*:1] CCOc1ccc(OCC)c(c1)[C@H]1C(C#N)=C(N)N(C2CCCC(=O)C=21)[*:1]
CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c1 CCOc1ccc(OCC)c(c1)[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@H]1[*:1])c1ccccc1C(F)(F)F
CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c1 FC(F)(F)[*:1] CCOc1ccc(OCC)c(c1)[C@H]1C(C#N)=C(N)N(C2CCCC(=O)C=21)c1ccccc1[*:1]
Cc1ccccc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2C Cc1ccccc1[*:1] CN1C(=O)[C@H](CC12CCN(CC2)C(=O)[*:1])c1ccccc1
Cc1ccccc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2C c1ccc(cc1)[*:1] Cc1ccccc1C(=O)N1CCC2(CC1)C[C@H](C(=O)N2C)[*:1]
CCCc1cc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n(C)n1 CCC[*:1] CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(nn1C)[*:1])C2=O
CC(C)Cc1nc(SCC(=O)NC[C@@H]2CCCO2)c2c(=O)n(C)c(=O)n(C)c2n1 C1CO[C@@H](C1)C[*:1] CC(C)Cc1nc(SCC(=O)N[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
CC(C)Cc1nc(SCC(=O)NC[C@@H]2CCCO2)c2c(=O)n(C)c(=O)n(C)c2n1 C1CO[C@@H](C1)[*:1] CC(C)Cc1nc(SCC(=O)NC[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
CC(C)Cc1nc(SCC(=O)NC[C@@H]2CCCO2)c2c(=O)n(C)c(=O)n(C)c2n1 O=C(NC[C@@H]1CCCO1)[*:1] CC(C)Cc1nc(SC[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
CC(C)Cc1nc(SCC(=O)NC[C@@H]2CCCO2)c2c(=O)n(C)c(=O)n(C)c2n1 CC(C)[*:1] Cn1c(=O)c2c(nc(C[*:1])nc2n(C)c1=O)SCC(=O)NC[C@@H]1CCCO1
CC(C)Cc1nc(SCC(=O)NC[C@@H]2CCCO2)c2c(=O)n(C)c(=O)n(C)c2n1 CC(C)C[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)[*:1])SCC(=O)NC[C@@H]1CCCO1
Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1C(=O)NC[*:1]
Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)CNC(=O)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
CCCCC(=O)NC(=S)Nc1ccccc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CCCCC(=O)NC(=S)Nc1ccccc1[*:1]
CCCCC(=O)NC(=S)Nc1ccccc1C(=O)N1CCOCC1 CCCC[*:1] O=C(c1ccccc1NC(=S)NC(=O)[*:1])N1CCOCC1
CCCCC(=O)NC(=S)Nc1ccccc1C(=O)N1CCOCC1 CCC[*:1] O=C(C[*:1])NC(=S)Nc1ccccc1C(=O)N1CCOCC1
Cc1c(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)CSc2nc3sc4CCCCc4c3c(=O)[nH]2)c(=O)n(n1C)[*:1]
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(n2cccn2)CC1 Clc1cccc(c1)O[*:1] CC(C)[C@@H](C(=O)N1CCC(CC1)n1cccn1)[*:1]
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(n2cccn2)CC1 CC(C)[*:1] O=C([C@H](Oc1cccc(Cl)c1)[*:1])N1CCC(CC1)n1cccn1
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(n2cccn2)CC1 Clc1cccc(c1)[*:1] CC(C)[C@@H](O[*:1])C(=O)N1CCC(CC1)n1cccn1
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(n2cccn2)CC1 c1cnn(c1)[*:1] CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(CC1)[*:1]
CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F CCN(CC)C(=O)[*:1] C[C@H](C[*:1])[NH2+][C@H](C)c1cccc(F)c1F
Cc1nc2c(c(Nc3ncc(C)s3)n1)CCN(C(=O)CCc1ccccc1)C2 c1ccc(cc1)CC[*:1] Cc1nc2CN(CCc2c(n1)Nc1ncc(C)s1)C(=O)[*:1]
Cc1nc2c(c(Nc3ncc(C)s3)n1)CCN(C(=O)CCc1ccccc1)C2 c1ccc(cc1)[*:1] Cc1nc2CN(CCc2c(n1)Nc1ncc(C)s1)C(=O)CC[*:1]
Cc1nc2c(c(Nc3ncc(C)s3)n1)CCN(C(=O)CCc1ccccc1)C2 Cc1cnc(N[*:1])s1 Cc1nc2CN(CCc2c(n1)[*:1])C(=O)CCc1ccccc1
Cc1nc2c(c(Nc3ncc(C)s3)n1)CCN(C(=O)CCc1ccccc1)C2 c1ccc(cc1)C[*:1] Cc1nc2CN(CCc2c(n1)Nc1ncc(C)s1)C(=O)C[*:1]
Cc1nc2c(c(Nc3ncc(C)s3)n1)CCN(C(=O)CCc1ccccc1)C2 Cc1cnc(s1)[*:1] Cc1nc2CN(CCc2c(n1)N[*:1])C(=O)CCc1ccccc1
O=C(NCCNC(=O)N1C[C@H]2CC=CC[C@@H]2C1)c1cccnc1 c1cncc(c1)[*:1] O=C(NCCNC(=O)[*:1])N1C[C@H]2CC=CC[C@@H]2C1
O=c1n(CCO)c2ccccc2n1CCO OCC[*:1] O=c1n(CCO)c2ccccc2n1[*:1]
COC(=O)Cc1csc(NC(=O)Cc2coc3cc(C)ccc23)n1 COC(=O)C[*:1] Cc1ccc2c(coc2c1)CC(=O)Nc1nc(cs1)[*:1]
COC(=O)Cc1csc(NC(=O)Cc2coc3cc(C)ccc23)n1 COC(=O)[*:1] Cc1ccc2c(coc2c1)CC(=O)Nc1nc(cs1)C[*:1]
Cc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccccc3C)C2=O)cc1C Cc1ccccc1[*:1] Cc1ccc(cc1C)N1CC[C@@H](NS(=O)(=O)[*:1])C1=O
Cc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccccc3C)C2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(C1=O)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(CC(=O)NC2CC2)CC1 O=C(C[*:1])NC1CC1 CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(CC1)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(CC(=O)NC2CC2)CC1 C1CC1[*:1] CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(CC1)CC(=O)N[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(CC(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(CC1)C[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(CC(=O)NC2CC2)CC1 CC[C@H](C)[*:1] C[C@H](C[*:1])NC(=O)N1CCN(CC1)CC(=O)NC1CC1
CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(CC(=O)NC2CC2)CC1 CC[C@H](C)C[*:1] C[C@@H](NC(=O)N1CCN(CC1)CC(=O)NC1CC1)[*:1]
CC(=O)Nc1c2n(c3ccccc13)C[C@](C)(C(=O)NC1CCCCC1)N(C1CCCCC1)C2=O O=C(NC1CCCCC1)[*:1] CC(=O)Nc1c2C(=O)N(C3CCCCC3)[C@@](C)(Cn2c2ccccc12)[*:1]
CC(=O)Nc1c2n(c3ccccc13)C[C@](C)(C(=O)NC1CCCCC1)N(C1CCCCC1)C2=O C1CCC(CC1)[*:1] CC(=O)Nc1c2C(=O)N([C@](C)(Cn2c2ccccc12)C(=O)NC1CCCCC1)[*:1]
CC(=O)Nc1c2n(c3ccccc13)C[C@](C)(C(=O)NC1CCCCC1)N(C1CCCCC1)C2=O C1CCC(CC1)[*:1] CC(=O)Nc1c2C(=O)N(C3CCCCC3)[C@](C)(Cn2c2ccccc12)C(=O)N[*:1]
CC(=O)Nc1c2n(c3ccccc13)C[C@](C)(C(=O)NC1CCCCC1)N(C1CCCCC1)C2=O CC(=O)N[*:1] C[C@@]1(Cn2c(C(=O)N1C1CCCCC1)c(c1ccccc12)[*:1])C(=O)NC1CCCCC1
Cc1cccn2c(=O)c(C(=O)NC[C@H]3CCO[C@@H]3C(C)C)cnc12 CC(C)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NC[C@H]1CCO[C@H]1[*:1]
CNC(=O)c1ccc(/C=C/C(=O)Nc2c(C)cc(C)nc2Cl)cc1 CNC(=O)[*:1] Cc1cc(C)c(NC(=O)/C=C/c2ccc(cc2)[*:1])c(Cl)n1
CC1=C(CNC(=O)c2cc(-c3ccccc3)nc3c2CNN3C(C)C)CN=N1 CC(C)[*:1] CC1N=NCC=1CNC(=O)c1cc(nc2c1CNN2[*:1])-c1ccccc1
CC1=C(CNC(=O)c2cc(-c3ccccc3)nc3c2CNN3C(C)C)CN=N1 c1ccc(cc1)[*:1] CC1N=NCC=1CNC(=O)c1cc(nc2c1CNN2C(C)C)[*:1]
C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)COC(=O)C=C[*:1])c1ccccc1
C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1)[*:1]
C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(COC(=O)/C=C/c1ccc(Cl)cc1)N[*:1]
CCc1ccc(N(Cc2ccc(C)s2)C(=O)c2ccc(=O)n(C)n2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(CN(C(=O)c2ccc(=O)n(C)n2)[*:1])s1
CCc1ccc(N(Cc2ccc(C)s2)C(=O)c2ccc(=O)n(C)n2)cc1 Cn1nc(ccc1=O)[*:1] CCc1ccc(cc1)N(Cc1ccc(C)s1)C(=O)[*:1]
CCc1ccc(N(Cc2ccc(C)s2)C(=O)c2ccc(=O)n(C)n2)cc1 Cc1ccc(s1)[*:1] CCc1ccc(cc1)N(C[*:1])C(=O)c1ccc(=O)n(C)n1
CCc1ccc(N(Cc2ccc(C)s2)C(=O)c2ccc(=O)n(C)n2)cc1 Cc1ccc(C[*:1])s1 CCc1ccc(cc1)N(C(=O)c1ccc(=O)n(C)n1)[*:1]
CCOC(=O)c1nnc2ccccc2c1N1CC[C@@H]([NH+](CC)CC)C1 CCOC(=O)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)c1c(nnc2ccccc12)[*:1]
Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccnc(c1)[*:1]
Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccnc(c1)O[*:1]
O=C(O[C@H]1CCOC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 C1C[C@@H](CO1)[*:1] O=C(O[*:1])C1(CCC1)c1ccc(Cl)c(Cl)c1
CCC[NH2+][C@@H]1COC[C@H]1C(=O)NCc1cscc1C Cc1cscc1[*:1] CCC[NH2+][C@@H]1COC[C@H]1C(=O)NC[*:1]
CCC[NH2+][C@@H]1COC[C@H]1C(=O)NCc1cscc1C CCC[*:1] Cc1cscc1CNC(=O)[C@@H]1COC[C@H]1[NH2+][*:1]
O=C(NCc1nccc2ccccc12)c1ccc[nH]c1=O O=c1[nH]cccc1[*:1] O=C(NCc1nccc2ccccc12)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 CC(=O)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1]
O=[N+]([O-])c1c(Nc2cccc3ncccc23)ncnc1N1CCN(c2cccc(Cl)c2)CC1 c1cc(N[*:1])c2cccnc2c1 O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=[N+]([O-])c1c(Nc2cccc3ncccc23)ncnc1N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)[*:1])Nc1cccc2ncccc12
O=[N+]([O-])c1c(Nc2cccc3ncccc23)ncnc1N1CCN(c2cccc(Cl)c2)CC1 c1cc(c2cccnc2c1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)c1cccc(Cl)c1)N[*:1]
O=[N+]([O-])c1c(Nc2cccc3ncccc23)ncnc1N1CCN(c2cccc(Cl)c2)CC1 O=[N+]([O-])[*:1] Clc1cccc(c1)N1CCN(CC1)c1ncnc(Nc2cccc3ncccc23)c1[*:1]
O=C(CCCO)Nc1ccc(F)cc1F OCCC[*:1] O=C(Nc1ccc(F)cc1F)[*:1]
O=C(CCCO)Nc1ccc(F)cc1F OCC[*:1] O=C(C[*:1])Nc1ccc(F)cc1F
NC(=O)CCOc1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1 NC(=O)[*:1] O=C(C[C@H]1CCc2ccccc21)Nc1ccc(cc1)OCC[*:1]
NC(=O)CCOc1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1 NC(=O)CCO[*:1] O=C(C[C@H]1CCc2ccccc21)Nc1ccc(cc1)[*:1]
NC(=O)CCOc1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1 NC(=O)C[*:1] O=C(C[C@H]1CCc2ccccc21)Nc1ccc(cc1)OC[*:1]
NC(=O)CCOc1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1 NC(=O)CC[*:1] O=C(C[C@H]1CCc2ccccc21)Nc1ccc(cc1)O[*:1]
COc1cc(C)ccc1OCC(=O)Nc1nnc(C)s1 Cc1nnc(s1)[*:1] COc1cc(C)ccc1OCC(=O)N[*:1]
CC(=O)c1c(O)cccc1COc1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1c(O)cccc1CO[*:1]
CC(=O)c1c(O)cccc1COc1ccccc1 CC(=O)[*:1] Oc1cccc(COc2ccccc2)c1[*:1]
CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)cn1 CCn1cc(cn1)[*:1] O=S(=O)(N1CCCCC[C@@H]1c1cc(no1)-c1ccc(F)cc1)[*:1]
CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)cn1 Fc1ccc(cc1)[*:1] CCn1cc(cn1)S(=O)(=O)N1CCCCC[C@@H]1c1cc(no1)[*:1]
COC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(Br)c[nH+]1)C(F)(F)F COC(=O)[*:1] O=C(N[C@](Nc1ccc(Br)c[nH+]1)(C(F)(F)F)[*:1])c1cccc(Cl)c1
COC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(Br)c[nH+]1)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(Br)c[nH+]1)[*:1]
COC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(Br)c[nH+]1)C(F)(F)F Clc1cccc(c1)[*:1] COC(=O)[C@](NC(=O)[*:1])(Nc1ccc(Br)c[nH+]1)C(F)(F)F
Cc1noc(C)c1C[C@H](C)C(=O)N[C@@H](C)C1CCCCC1 Cc1noc(C)c1[*:1] C[C@@H](C[*:1])C(=O)N[C@@H](C)C1CCCCC1
Cc1noc(C)c1C[C@H](C)C(=O)N[C@@H](C)C1CCCCC1 C1CCC(CC1)[*:1] Cc1noc(C)c1C[C@H](C)C(=O)N[C@@H](C)[*:1]
CCn1cc(C(=O)N[C@H]2CC(=O)N(C)C2)c(C(C)C)n1 CC(C)[*:1] CCn1cc(C(=O)N[C@H]2CC(=O)N(C)C2)c(n1)[*:1]
COc1cccc(-c2cncc3ccccc23)c1C(=O)N(C(C)C)C(C)C CC(C)N(C(=O)[*:1])C(C)C COc1cccc(c1[*:1])-c1cncc2ccccc12
COc1cccc(-c2cncc3ccccc23)c1C(=O)N(C(C)C)C(C)C CC(C)[*:1] COc1cccc(c1C(=O)N(C(C)C)[*:1])-c1cncc2ccccc12
COc1ccc([C@@H](C)NC(=O)Cc2cccc3ccccc23)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)Cc1cccc2ccccc12)[*:1]
O=C1C[C@H](c2nc(-c3cccnc3)no2)CN1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1C[C@@H](CN1[*:1])c1nc(no1)-c1cccnc1
O=C1C[C@H](c2nc(-c3cccnc3)no2)CN1c1cccc(Cl)c1 c1cncc(c1)[*:1] O=C1C[C@@H](CN1c1cccc(Cl)c1)c1nc(no1)[*:1]
C=CCN(C(=O)C/C=C/c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 C=CC[*:1] Cc1ccc(/C=C/CC(=O)N([C@@H]2CCS(=O)(=O)C2)[*:1])cc1
C=CCN(C(=O)C/C=C/c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)[*:1] C=CCN(C(=O)CC=C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1nncs1 O=[N+]([O-])[*:1] O=C(CSc1nnc(o1)-c1cccc(c1)[*:1])Nc1nncs1
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1nncs1 O=C(Nc1nncs1)[*:1] O=[N+]([O-])c1cccc(c1)-c1nnc(o1)SC[*:1]
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1nncs1 c1nnc(s1)[*:1] O=C(CSc1nnc(o1)-c1cccc(c1)[N+](=O)[O-])N[*:1]
CN(CCc1ccc(F)cc1)c1cc(Br)cc(F)c1C(N)=O Fc1ccc(cc1)[*:1] CN(CC[*:1])c1cc(Br)cc(F)c1C(N)=O
CN(CCc1ccc(F)cc1)c1cc(Br)cc(F)c1C(N)=O NC(=O)[*:1] CN(CCc1ccc(F)cc1)c1cc(Br)cc(F)c1[*:1]
COc1ccccc1NC(=O)CSc1ccc(-c2ccccc2OC)nn1 COc1ccccc1[*:1] COc1ccccc1-c1ccc(nn1)SCC(=O)N[*:1]
COc1ccccc1NC(=O)CSc1ccc(-c2ccccc2OC)nn1 COc1ccccc1[*:1] COc1ccccc1NC(=O)CSc1ccc(nn1)[*:1]
Cc1occc1C(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1occc1C(=O)/C(C#N)=C\c1cccc(c1)[*:1]
Cc1occc1C(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1 Cc1occc1[*:1] N#C/C(=C/c1cccc(c1)C(F)(F)F)C(=O)[*:1]
COc1ccc2c(c1)N(C(=O)CCSc1ccccn1)C[C@@H](C)O2 c1ccc(nc1)SC[*:1] COc1ccc2O[C@H](C)CN(C(=O)C[*:1])c2c1
COc1ccc2c(c1)N(C(=O)CCSc1ccccn1)C[C@@H](C)O2 c1ccc(nc1)S[*:1] COc1ccc2O[C@H](C)CN(C(=O)CC[*:1])c2c1
COc1ccc2c(c1)N(C(=O)CCSc1ccccn1)C[C@@H](C)O2 c1ccc(nc1)[*:1] COc1ccc2O[C@H](C)CN(C(=O)CCS[*:1])c2c1
CC[C@@H](NC(=O)[C@H](C)n1cccn1)c1ccc(C)c(F)c1 C[C@H](n1cccn1)[*:1] CC[C@@H](NC(=O)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)[C@H](C)n1cccn1)c1ccc(C)c(F)c1 c1cnn(c1)[*:1] CC[C@@H](NC(=O)[C@H](C)[*:1])c1ccc(C)c(F)c1
CCC[C@]1(C(=O)N[C@@H]2CONC2=O)CC[NH2+]C1 CCC[*:1] O=C1NOC[C@H]1NC(=O)[C@@]1(CC[NH2+]C1)[*:1]
O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(Cc2ccccc2)CC1 O=[N+]([O-])[*:1] O=C(c1cc2cc(ccc2oc1=O)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc2cc(ccc2oc1=O)[N+](=O)[O-])N1CCN(CC1)C[*:1]
O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cc2cc(ccc2oc1=O)[N+](=O)[O-])N1CCN(CC1)[*:1]
CCn1c(CC2CC[NH2+]CC2)nn(CCO)c1=O OCC[*:1] CCn1c(CC2CC[NH2+]CC2)nn(c1=O)[*:1]
C=CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nnc1-c1ccc(Cl)cc1 C=CC[*:1] CC1CCN(CC1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1[*:1]
C=CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nnc1-c1ccc(Cl)cc1 CC1CCN(CC1)C(=O)[*:1] C=CCn1c(nnc1-c1ccc(Cl)cc1)S[C@H](C)[*:1]
C=CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])S[C@H](C)C(=O)N1CCC(C)CC1
CCO[C@H]1C(=O)O[C@H]([C@@H](O)CO)C1=O OC[C@H](O)[*:1] CCO[C@H]1C(=O)O[C@H](C1=O)[*:1]
CCO[C@H]1C(=O)O[C@H]([C@@H](O)CO)C1=O CCO[*:1] O=C1O[C@@H](C(=O)[C@H]1[*:1])[C@@H](O)CO
Cc1cc(-n2c(C)cc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)c2C)no1 Fc1ccc(cc1F)[*:1] Cc1cc(no1)-n1c(C)cc(C[NH2+][C@H](C)[*:1])c1C
Cc1cc(-n2c(C)cc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)c(C)n1[*:1]
C[C@@H](NC(=O)Nc1ccn(-c2ncccc2Cl)n1)[C@@H]1CCCO1 Clc1cccnc1[*:1] C[C@@H](NC(=O)Nc1ccn(n1)[*:1])[C@@H]1CCCO1
C[C@@H](NC(=O)Nc1ccn(-c2ncccc2Cl)n1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)Nc1ccn(n1)-c1ncccc1Cl)[*:1]
COc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc1Cl c1ccc(cc1)C[*:1] COc1cc(ccc1Cl)S(=O)(=O)N1CCN=C1[*:1]
COc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc1Cl c1ccc(cc1)[*:1] COc1cc(ccc1Cl)S(=O)(=O)N1CCN=C1C[*:1]
COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccncc4)cc(C)c3C2=O)c1 c1cc(ccn1)[*:1] COc1ccc(OC)c(/C=C2\Oc3cc(cc(C)c3C2=O)OC(=O)[*:1])c1
COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccncc4)cc(C)c3C2=O)c1 O=C(O[*:1])c1ccncc1 COc1ccc(OC)c(/C=C2\Oc3cc(cc(C)c3C2=O)[*:1])c1
COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccncc4)cc(C)c3C2=O)c1 COc1ccc(OC)c(c1)[*:1] Cc1cc(cc2OC(=C[*:1])C(=O)c12)OC(=O)c1ccncc1
COc1ccc([C@@H](NC(=O)Nc2cc(C)ccc2Cl)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)Nc1cc(C)ccc1Cl)[*:1]
COc1ccc([C@@H](NC(=O)Nc2cc(C)ccc2Cl)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(Cl)c(c1)NC(=O)N[C@@H](C1CCOCC1)[*:1]
COc1ccc([C@@H](NC(=O)Nc2cc(C)ccc2Cl)C2CCOCC2)cc1 Cc1ccc(Cl)c(c1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[*:1])C1CCOCC1
C[C@H](Cc1cccs1)N(C)C[C@@H]1CCCC[C@@H]1[NH3+] c1csc(c1)C[*:1] C[C@H](N(C)C[C@@H]1CCCC[C@@H]1[NH3+])[*:1]
C[C@H](Cc1cccs1)N(C)C[C@@H]1CCCC[C@@H]1[NH3+] c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C[C@@H]1CCCC[C@@H]1[NH3+]
C[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1C FC(F)(F)[*:1] C[C@H]([NH3+])c1nc2cc(ccc2n1C)[*:1]
COc1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)CN1CCc2nnc(C[*:1])n2CC1
COc1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1 COc1cccc(c1)C[*:1] c1ccc(cc1)CCc1nnc2CCN(CCn12)[*:1]
COc1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1 c1ccc(cc1)CC[*:1] COc1cccc(c1)CN1CCc2nnc(n2CC1)[*:1]
COc1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1 COc1cccc(c1)[*:1] c1ccc(cc1)CCc1nnc2CCN(CCn12)C[*:1]
COc1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CN1CCc2nnc(CC[*:1])n2CC1
COCC[C@H](C)C(=O)N[C@@H](C)COC COC[*:1] COCC[C@H](C)C(=O)N[C@@H](C)[*:1]
COCC[C@H](C)C(=O)N[C@@H](C)COC COCC[*:1] COC[C@H](C)NC(=O)[C@@H](C)[*:1]
COCC[C@H](C)C(=O)N[C@@H](C)COC COC[*:1] COC[C@H](C)NC(=O)[C@@H](C)C[*:1]
CCOc1ncnc(S(=O)(=O)CC)c1N CCO[*:1] CCS(=O)(=O)c1ncnc(c1N)[*:1]
CCOc1ncnc(S(=O)(=O)CC)c1N CCS(=O)(=O)[*:1] CCOc1ncnc(c1N)[*:1]
CC[C@@H](NC(=O)N(C)Cc1ccc(-c2ccccc2)cc1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N(C)Cc1ccc(cc1)-c1ccccc1)[*:1]
CC[C@@H](NC(=O)N(C)Cc1ccc(-c2ccccc2)cc1)c1ccncc1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)N(C)Cc1ccc(cc1)[*:1])c1ccncc1
O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2o1)[C@H]1CCCN1S(=O)(=O)[*:1]
O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 c1ccc2oc(nc2c1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
CC[C@@H](C)CNc1nc2ccc(Cl)cc2s1 CC[C@@H](C)C[*:1] Clc1ccc2nc(N[*:1])sc2c1
CC[C@@H](C)CNc1nc2ccc(Cl)cc2s1 CC[C@@H](C)[*:1] Clc1ccc2nc(NC[*:1])sc2c1
CCc1nnc(-c2cc3ccccc3n2CC(=O)NC(C)(C)C)o1 CC(C)(C)NC(=O)C[*:1] CCc1nnc(o1)-c1cc2ccccc2n1[*:1]
CCc1nnc(-c2cc3ccccc3n2CC(=O)NC(C)(C)C)o1 CC(C)(C)NC(=O)[*:1] CCc1nnc(o1)-c1cc2ccccc2n1C[*:1]
CCc1nnc(-c2cc3ccccc3n2CC(=O)NC(C)(C)C)o1 CCc1nnc(o1)[*:1] CC(C)(C)NC(=O)Cn1c(cc2ccccc21)[*:1]
CCc1nnc(-c2cc3ccccc3n2CC(=O)NC(C)(C)C)o1 CC(C)(C)[*:1] CCc1nnc(o1)-c1cc2ccccc2n1CC(=O)N[*:1]
CCc1ccc(NC(=O)c2nn(-c3ccc(CC)cc3)ccc2=O)cc1 CCc1ccc(cc1)[*:1] CCc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)N[*:1]
CCc1ccc(NC(=O)c2nn(-c3ccc(CC)cc3)ccc2=O)cc1 CCc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)c1nn(ccc1=O)[*:1]
C[C@H](OC(=O)c1nc(C2CC2)n2ccccc12)c1cnc2ccccc2c1 C1CC1[*:1] C[C@H](OC(=O)c1nc(n2ccccc12)[*:1])c1cnc2ccccc2c1
CCCCOc1ccccc1C[C@@H]([NH3+])C(=O)[O-] CCCCO[*:1] [NH3+][C@H](Cc1ccccc1[*:1])C(=O)[O-]
CCCCOc1ccccc1C[C@@H]([NH3+])C(=O)[O-] CCCC[*:1] [NH3+][C@H](Cc1ccccc1O[*:1])C(=O)[O-]
CCCCOc1ccccc1C[C@@H]([NH3+])C(=O)[O-] CCC[*:1] [NH3+][C@H](Cc1ccccc1OC[*:1])C(=O)[O-]
CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)nc2Cl)CCO1 CCC[*:1] Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C2)[*:1])c(Cl)n1
C[C@H]1C(=O)N(c2ccc3c(c2)CCC3)CCN1C(=O)c1ccc(Cl)c(Cl)c1 c1cc2CCCc2cc1[*:1] C[C@H]1C(=O)N(CCN1C(=O)c1ccc(Cl)c(Cl)c1)[*:1]
C[C@H]1C(=O)N(c2ccc3c(c2)CCC3)CCN1C(=O)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@H]1C(=O)N(CCN1C(=O)[*:1])c1ccc2CCCc2c1
COC(=O)C1(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CCSCC1 COC(=O)[*:1] O=C(NC1(CCSCC1)[*:1])[C@H]1C[C@H]1c1c(F)cccc1F
COC(=O)C1(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CCSCC1 Fc1cccc(F)c1[*:1] COC(=O)C1(CCSCC1)NC(=O)[C@H]1C[C@@H]1[*:1]
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(OC)ccc1Cl C=CC[*:1] COc1ccc(Cl)c(c1)NC(=O)N(Cc1cccc(c1)[N+](=O)[O-])[*:1]
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(OC)ccc1Cl O=[N+]([O-])[*:1] C=CCN(Cc1cccc(c1)[*:1])C(=O)Nc1cc(ccc1Cl)OC
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccn1 c1ccc(nc1)[*:1] Cc1cc(Cl)ccc1OCC(=O)NN=C[*:1]
Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NCc3ccco3)cc1CC2 O=C(N1CCOCC1)[*:1] Cc1c(oc2CCc3cn(CC(=O)NCc4ccco4)nc3-c21)[*:1]
Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NCc3ccco3)cc1CC2 c1coc(c1)C[*:1] Cc1c(oc2CCc3cn(CC(=O)N[*:1])nc3-c21)C(=O)N1CCOCC1
Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NCc3ccco3)cc1CC2 O=C(C[*:1])NCc1ccco1 Cc1c(oc2CCc3cn(nc3-c21)[*:1])C(=O)N1CCOCC1
Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NCc3ccco3)cc1CC2 O=C(NCc1ccco1)[*:1] Cc1c(oc2CCc3cn(C[*:1])nc3-c21)C(=O)N1CCOCC1
Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NCc3ccco3)cc1CC2 c1coc(c1)[*:1] Cc1c(oc2CCc3cn(CC(=O)NC[*:1])nc3-c21)C(=O)N1CCOCC1
CCc1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1 CCc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(cc1)-c1nccnc1N1CCCCC1
CCc1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1 C1CCN(CC1)[*:1] CCc1ccc(cc1)CNC(=O)c1ccc(cc1)-c1nccnc1[*:1]
CCc1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1 CCc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(cc1)-c1nccnc1N1CCCCC1
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC4CCCCC4)cc3N2)cc1OC COc1ccc(cc1OC)[*:1] O=C(NC1CCCCC1)c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)[*:1]
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC4CCCCC4)cc3N2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)[C@H]1C[C@@H](n2nc(cc2N1)C(=O)NC1CCCCC1)[*:1]
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC4CCCCC4)cc3N2)cc1OC O=C(NC1CCCCC1)[*:1] COc1ccc(cc1OC)[C@H]1C[C@H](n2nc(cc2N1)[*:1])C(F)(F)F
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC4CCCCC4)cc3N2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)[C@H]1C[C@H](n2nc(cc2N1)C(=O)N[*:1])C(F)(F)F
CCCc1cc(C(=O)NNC(=O)c2cccc(Br)c2)[nH]n1 Brc1cccc(c1)[*:1] CCCc1cc([nH]n1)C(=O)NNC(=O)[*:1]
CCCc1cc(C(=O)NNC(=O)c2cccc(Br)c2)[nH]n1 CCC[*:1] O=C(NNC(=O)c1cc(n[nH]1)[*:1])c1cccc(Br)c1
O=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1Oc1cccc2cccnc12 Fc1ccc(cc1F)[*:1] O=[N+]([O-])c1c(ncnc1Oc1cccc2cccnc12)N[*:1]
O=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1Oc1cccc2cccnc12 Fc1ccc(cc1F)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Oc1cccc2cccnc12
O=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1Oc1cccc2cccnc12 O=[N+]([O-])[*:1] Fc1ccc(cc1F)Nc1ncnc(Oc2cccc3cccnc23)c1[*:1]
CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)CSc1nc2ccccc2o1 CC(C)(C)[*:1] O=C(CSc1nc2ccccc2o1)N[C@@H]1CCCc2c1cnn2[*:1]
CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)CSc1nc2ccccc2o1 c1ccc2oc(nc2c1)[*:1] CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)CS[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@@H](CCO)c2cccs2)cc1 OCC[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)N[C@@H](c1cccs1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@@H](CCO)c2cccs2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@@H](CCO)c1cccs1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@@H](CCO)c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)N[C@@H](CCO)[*:1]
CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccncc3)cc(C(=O)[O-])c2c1 O=C([O-])[*:1] CCN(CC)S(=O)(=O)c1ccc2nc(cc(c2c1)[*:1])-c1ccncc1
CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccncc3)cc(C(=O)[O-])c2c1 c1cc(ccn1)[*:1] CCN(CC)S(=O)(=O)c1ccc2nc(cc(C(=O)[O-])c2c1)[*:1]
CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccncc3)cc(C(=O)[O-])c2c1 CCN(CC)S(=O)(=O)[*:1] O=C([O-])c1cc(nc2ccc(cc12)[*:1])-c1ccncc1
CCCN(CC)c1cc[nH+]c(C(=O)[O-])c1 CCC[*:1] CCN(c1cc[nH+]c(c1)C(=O)[O-])[*:1]
CCCN(CC)c1cc[nH+]c(C(=O)[O-])c1 O=C([O-])[*:1] CCCN(CC)c1cc[nH+]c(c1)[*:1]
Cc1ccccc1N1C(=O)C[C@H]([NH+](C2CCCCC2)C2CCCCC2)C1=O Cc1ccccc1[*:1] O=C1C[C@@H](C(=O)N1[*:1])[NH+](C1CCCCC1)C1CCCCC1
Cc1ccccc1N1C(=O)C[C@H]([NH+](C2CCCCC2)C2CCCCC2)C1=O C1CCC(CC1)[*:1] Cc1ccccc1N1C(=O)C[C@@H](C1=O)[NH+](C1CCCCC1)[*:1]
CS(=O)(=O)[C@H]1O[C@H]1c1ccc(Cl)cc1Cl CS(=O)(=O)[*:1] Clc1ccc(c(Cl)c1)[C@@H]1O[C@@H]1[*:1]
C[C@H](CSc1ccc(C(=O)N(C)C)cn1)C(=O)[O-] CN(C)C(=O)[*:1] C[C@H](CSc1ccc(cn1)[*:1])C(=O)[O-]
C[C@H](CSc1ccc(C(=O)N(C)C)cn1)C(=O)[O-] O=C([O-])[*:1] C[C@H](CSc1ccc(cn1)C(=O)N(C)C)[*:1]
CCOC(=O)[C@H]1C=C(C#N)O[C@@H](c2ccc(C)cc2)C1 CCOC(=O)[*:1] Cc1ccc(cc1)[C@H]1C[C@H](C=C(C#N)O1)[*:1]
CCC[NH2+]C1CCC(O)(Cc2nc(C)cs2)CC1 Cc1csc(n1)[*:1] CCC[NH2+]C1CCC(O)(CC1)C[*:1]
CCC[NH2+]C1CCC(O)(Cc2nc(C)cs2)CC1 CCC[*:1] Cc1csc(CC2(O)CCC(CC2)[NH2+][*:1])n1
O=C1c2ccccc2N[C@H](CSC2=NC=NC3=NC=N[C@@H]32)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@H](CSC2=NC=NC3=NC=N[C@@H]32)N1[*:1]
CCc1nc2ccccc2c(C(=O)NCc2ccc(OC)c(C(=O)OC)c2)c1C COC(=O)[*:1] CCc1nc2ccccc2c(C(=O)NCc2ccc(OC)c(c2)[*:1])c1C
Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@H](c1ccccc1)CC(=O)N2 Clc1ccc(cc1)[*:1] Cc1nn(-c2nncc(n2)[*:1])c2NC(=O)C[C@@H](c3ccccc3)c12
Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@H](c1ccccc1)CC(=O)N2 c1ccc(cc1)[*:1] Cc1nn(-c2nncc(n2)-c2ccc(Cl)cc2)c2NC(=O)C[C@@H](c12)[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)N(C)Cc2nnc(C3CC3)n2C)c1 C1CC1[*:1] CC(C)NC(=O)Nc1cccc(c1)C(=O)N(C)Cc1nnc(n1C)[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)N(C)Cc2nnc(C3CC3)n2C)c1 CC(C)NC(=O)N[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)N(C)Cc2nnc(C3CC3)n2C)c1 CC(C)[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccc(c1)NC(=O)N[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)N(C)Cc2nnc(C3CC3)n2C)c1 Cn1c(nnc1[*:1])C1CC1 CC(C)NC(=O)Nc1cccc(c1)C(=O)N(C)C[*:1]
Cc1nnccc1C(=O)N[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1nnccc1C(=O)N[C@H](C)[*:1]
O=C(NCCCc1nc(-c2ccc(Br)o2)no1)C1CC1 C1CC1[*:1] O=C(NCCCc1nc(no1)-c1ccc(Br)o1)[*:1]
O=C(NCCCc1nc(-c2ccc(Br)o2)no1)C1CC1 Brc1ccc(o1)[*:1] O=C(NCCCc1nc(no1)[*:1])C1CC1
O=C(NCCCc1nc(-c2ccc(Br)o2)no1)C1CC1 O=C(N[*:1])C1CC1 Brc1ccc(o1)-c1noc(CCC[*:1])n1
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(/C=C2/SC(=O)N(CC(=O)N[*:1])C2=O)cc1OC
CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)/C=C/SCc1ccco1 c1coc(c1)C[*:1] CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)/C=C/S[*:1]
CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)/C=C/SCc1ccco1 c1coc(c1)[*:1] CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)/C=C/SC[*:1]
CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)/C=C/SCc1ccco1 CC(C)N(C)C(=O)[*:1] O=C(/C=C/SCc1ccco1)N1CSC[C@@H]1[*:1]
CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)/C=C/SCc1ccco1 c1coc(c1)CS[*:1] CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)C=C[*:1]
CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)/C=C/SCc1ccco1 CC(C)[*:1] CN(C(=O)[C@H]1CSCN1C(=O)/C=C/SCc1ccco1)[*:1]
CCC1(CC)[C@@H](NC(=O)Nc2ccc(C(=O)NC)cc2)[C@H](C)[C@@H]1OC CNC(=O)[*:1] CCC1(CC)[C@@H](NC(=O)Nc2ccc(cc2)[*:1])[C@H](C)[C@@H]1OC
Cc1ccc2ncc(C(=O)Nc3ncccc3OCc3ccncc3)n2c1 c1cc(ccn1)[*:1] Cc1ccc2ncc(C(=O)Nc3ncccc3OC[*:1])n2c1
Cc1ccc2ncc(C(=O)Nc3ncccc3OCc3ccncc3)n2c1 c1cc(ccn1)CO[*:1] Cc1ccc2ncc(C(=O)Nc3ncccc3[*:1])n2c1
Cc1ccc2ncc(C(=O)Nc3ncccc3OCc3ccncc3)n2c1 c1cc(ccn1)C[*:1] Cc1ccc2ncc(C(=O)Nc3ncccc3O[*:1])n2c1
O=C(Cn1nnn(-c2cccs2)c1=O)OC1CCCCC1 c1csc(c1)[*:1] O=C(Cn1nnn(c1=O)[*:1])OC1CCCCC1
O=C(Cn1nnn(-c2cccs2)c1=O)OC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cn1nnn(-c2cccs2)c1=O)O[*:1]
CC[C@H](NC(=O)NCc1c(C)noc1C)c1ccc(OC)cc1 Cc1noc(C)c1[*:1] CC[C@H](NC(=O)NC[*:1])c1ccc(cc1)OC
CCc1c(C(=O)Nc2ccc3c(c2)NC(=O)CS3)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)Nc1ccc2SCC(=O)Nc2c1
O=C(C=C1CCSCC1)N[C@@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(C=C1CCSCC1)N[C@@H]1CCC[C@H]1C[*:1]
O=C(C=C1CCSCC1)N[C@@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(C=C1CCSCC1)N[C@@H]1CCC[C@@H]1[*:1]
C[C@@H](Sc1nc(/C=C/c2cccs2)n[nH]1)C(=O)N1CCOCC1 C(=C[*:1])c1cccs1 C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)N1CCOCC1
C[C@@H](Sc1nc(/C=C/c2cccs2)n[nH]1)C(=O)N1CCOCC1 c1csc(c1)[*:1] C[C@@H](Sc1nc(C=C[*:1])n[nH]1)C(=O)N1CCOCC1
Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC[C@@H](C)C2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC[C@@H](C)C1)[*:1]
Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC[C@@H](C)C2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCC[C@@H](C)C1
COC(=O)[C@@H](C)Sc1nnc(Nc2cccc(Br)c2)s1 COC(=O)[*:1] C[C@@H](Sc1nnc(Nc2cccc(Br)c2)s1)[*:1]
COC(=O)[C@@H](C)Sc1nnc(Nc2cccc(Br)c2)s1 COC(=O)[C@@H](C)[*:1] Brc1cccc(c1)Nc1nnc(S[*:1])s1
Cc1cnc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cn1 Cc1cnc(cn1)[*:1] CN(c1ccc(cc1)NC(=O)[*:1])C1CC[NH+](C)CC1
CC(=O)Nc1nc2ccc(NC(=O)NCc3ccccc3)cc2s1 CC(=O)N[*:1] O=C(NCc1ccccc1)Nc1ccc2nc(sc2c1)[*:1]
CC(=O)Nc1nc2ccc(NC(=O)NCc3ccccc3)cc2s1 c1ccc(cc1)[*:1] CC(=O)Nc1nc2ccc(cc2s1)NC(=O)NC[*:1]
CC(=O)Nc1nc2ccc(NC(=O)NCc3ccccc3)cc2s1 c1ccc(cc1)C[*:1] CC(=O)Nc1nc2ccc(cc2s1)NC(=O)N[*:1]
C=CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N\S(=O)(=O)c1cccs1 c1csc(c1)[*:1] C=CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N\S(=O)(=O)[*:1]
C=CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N\S(=O)(=O)c1cccs1 Fc1ccccc1[*:1] C=CCN1C(=O)C(=C[*:1])S/C1=N\S(=O)(=O)c1cccs1
C=CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N\S(=O)(=O)c1cccs1 C=CC[*:1] O=C1/C(=C/c2ccccc2F)S/C(=N\S(=O)(=O)c2cccs2)N1[*:1]
CC[C@H]1CC(=O)N(Cc2ccccc2C#CCCO)C1 OCC[*:1] CC[C@H]1CC(=O)N(Cc2ccccc2C#C[*:1])C1
CC[C@H]1CC(=O)N(Cc2ccccc2C#CCCO)C1 OCCC#C[*:1] CC[C@H]1CC(=O)N(Cc2ccccc2[*:1])C1
COc1ccc(F)cc1C(=O)Nc1nccs1 c1csc(n1)[*:1] COc1ccc(F)cc1C(=O)N[*:1]
CC[C@@H](CC(=O)NC1(C(=O)OC)CCSCC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CC(=O)NC1(CCSCC1)C(=O)OC)[*:1]
CC[C@@H](CC(=O)NC1(C(=O)OC)CCSCC1)c1ccccc1 COC(=O)[*:1] CC[C@@H](CC(=O)NC1(CCSCC1)[*:1])c1ccccc1
Cc1ccc(C)c(-n2c(SCCCCCO)nc3ccccc3c2=O)c1 OCCCC[*:1] Cc1ccc(C)c(c1)-n1c(nc2ccccc2c1=O)SC[*:1]
Cc1ccc(C)c(-n2c(SCCCCCO)nc3ccccc3c2=O)c1 OCC[*:1] Cc1ccc(C)c(c1)-n1c(nc2ccccc2c1=O)SCCC[*:1]
Cc1ccc(C)c(-n2c(SCCCCCO)nc3ccccc3c2=O)c1 OCCCCCS[*:1] Cc1ccc(C)c(c1)-n1c(nc2ccccc2c1=O)[*:1]
Cc1ccc(C)c(-n2c(SCCCCCO)nc3ccccc3c2=O)c1 Cc1ccc(C)c(c1)[*:1] O=c1c2ccccc2nc(SCCCCCO)n1[*:1]
Cc1ccc(C)c(-n2c(SCCCCCO)nc3ccccc3c2=O)c1 OCCCCC[*:1] Cc1ccc(C)c(c1)-n1c(nc2ccccc2c1=O)S[*:1]
Cc1ccc(C)c(-n2c(SCCCCCO)nc3ccccc3c2=O)c1 OCCC[*:1] Cc1ccc(C)c(c1)-n1c(nc2ccccc2c1=O)SCC[*:1]
CC[C@@H](C)[C@@H]([NH3+])c1ccc(Cl)s1 CC[C@@H](C)[*:1] [NH3+][C@@H](c1ccc(Cl)s1)[*:1]
COc1cccc([C@@H](C)[NH2+]CCOc2ncccc2Cl)c1 Clc1cccnc1[*:1] COc1cccc(c1)[C@@H](C)[NH2+]CCO[*:1]
CC[C@@H]1CCCCN1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CC[C@@H]1CCCCN1C(=O)NC1CCN(CC1)C(=O)O[*:1]
Cc1cccc(NC(=O)CN2CCN(c3ccc4c(c3)OCCO4)C2=O)n1 Cc1cccc(n1)[*:1] O=C(CN1CCN(C1=O)c1ccc2OCCOc2c1)N[*:1]
C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCC(=O)N1CCCCCC1 C=C(C)C(=O)N[*:1] C[C@H](c1nc2ccccc2n1CCC(=O)N1CCCCCC1)[*:1]
C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCC(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CC[*:1]
C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCC(=O)N1CCCCCC1 C=C(C)[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1CCC(=O)N1CCCCCC1
CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccnn2C)C1 Clc1cccc(c1)[*:1] CCOC(=O)[C@@]1(CCCN(C1)C(=O)c1ccnn1C)C[*:1]
CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccnn2C)C1 CCOC(=O)[*:1] Cn1nccc1C(=O)N1CCC[C@@](Cc2cccc(Cl)c2)(C1)[*:1]
CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccnn2C)C1 Clc1cccc(c1)C[*:1] CCOC(=O)[C@@]1(CCCN(C1)C(=O)c1ccnn1C)[*:1]
CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccnn2C)C1 Cn1nccc1[*:1] CCOC(=O)[C@@]1(CCCN(C1)C(=O)[*:1])Cc1cccc(Cl)c1
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)C(=O)N1CC[C@@H](C1)[NH+]1CCCC1)[*:1]
CCOCCCNC(=O)N[C@@H]1CCC[C@@H](CC)C1 CCO[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)NCCC[*:1]
CCOCCCNC(=O)N[C@@H]1CCC[C@@H](CC)C1 CCOCCC[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)N[*:1]
CCOCCCNC(=O)N[C@@H]1CCC[C@@H](CC)C1 CCOC[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)NCC[*:1]
CCOCCCNC(=O)N[C@@H]1CCC[C@@H](CC)C1 CCOCC[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)NC[*:1]
COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2cccs2)C1 c1csc(c1)[*:1] COc1ccccc1NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2cccs2)C1 COc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)Nc1cccs1
O=C(NCc1ccc([N+]2=CCCC2)cc1)NC1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)NC1(CC1)[*:1]
O=C(NCc1cccs1)C1(c2cccc(Cl)c2)CCC1 c1csc(c1)C[*:1] O=C(N[*:1])C1(CCC1)c1cccc(Cl)c1
O=C(NCc1cccs1)C1(c2cccc(Cl)c2)CCC1 c1csc(c1)[*:1] O=C(NC[*:1])C1(CCC1)c1cccc(Cl)c1
C[C@H]1CCC[C@H](NC(=O)[C@@H](C)Sc2ncn[nH]2)[C@@H]1C c1n[nH]c(n1)[*:1] C[C@H]1CCC[C@H](NC(=O)[C@@H](C)S[*:1])[C@@H]1C
C[C@H]1CCC[C@H](NC(=O)[C@@H](C)Sc2ncn[nH]2)[C@@H]1C c1n[nH]c(n1)S[*:1] C[C@H]1CCC[C@H](NC(=O)[C@@H](C)[*:1])[C@@H]1C
COc1ccc([C@@H]([NH2+]Cc2ccc(Cl)nc2)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] Fc1ccc(cc1)[C@H]([NH2+]Cc1ccc(Cl)nc1)[*:1]
COc1ccc([C@@H]([NH2+]Cc2ccc(Cl)nc2)c2ccc(F)cc2)cc1 Clc1ccc(cn1)[*:1] COc1ccc(cc1)[C@@H]([NH2+]C[*:1])c1ccc(F)cc1
COc1ccc([C@@H]([NH2+]Cc2ccc(Cl)nc2)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]([NH2+]Cc1ccc(Cl)nc1)[*:1]
COc1cc(NC(=O)[C@H](C)Sc2ccccc2Cl)cc(OC)c1 Clc1ccccc1[*:1] COc1cc(cc(c1)OC)NC(=O)[C@H](C)S[*:1]
CCN1CCC(=NNC(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCN1CCC(CC1)=NNC(=O)[*:1]
Cc1cc2n(C[C@H](O)CO[C@H](c3ccccc3)c3ccccc3C)c(=O)c3ccccc3n2n1 Cc1ccccc1[*:1] Cc1cc2n(C[C@H](O)CO[C@H](c3ccccc3)[*:1])c(=O)c3ccccc3n2n1
Cc1cc2n(C[C@H](O)CO[C@H](c3ccccc3)c3ccccc3C)c(=O)c3ccccc3n2n1 c1ccc(cc1)[*:1] Cc1cc2n(C[C@H](O)CO[C@H](c3ccccc3C)[*:1])c(=O)c3ccccc3n2n1
CCc1ncc(CN(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)s1 CCc1ncc(s1)[*:1] Cc1ccc(c(C)c1NC(=O)N(C)C[*:1])[N+](=O)[O-]
CCc1ncc(CN(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)s1 O=[N+]([O-])[*:1] CCc1ncc(CN(C)C(=O)Nc2c(C)ccc(c2C)[*:1])s1
CCc1ncc(CN(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)s1 CCc1ncc(C[*:1])s1 Cc1ccc(c(C)c1NC(=O)N(C)[*:1])[N+](=O)[O-]
CC(=O)N[C@@H](C(=O)NC1COC1)C(C)C C1OCC1[*:1] CC(=O)N[C@@H](C(=O)N[*:1])C(C)C
CC(=O)N[C@@H](C(=O)NC1COC1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)NC1COC1)[*:1]
CC(=O)N[C@@H](C(=O)NC1COC1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)NC1COC1)[*:1]
O=C(Nc1ccccc1F)c1cc2ccccc2c2cccnc12 Fc1ccccc1[*:1] O=C(N[*:1])c1cc2ccccc2c2cccnc12
COCCN1C[C@H](C(=O)N(Cc2cccc(Cl)c2)C(C)C)CC1=O Clc1cccc(c1)[*:1] COCCN1C[C@@H](CC1=O)C(=O)N(C[*:1])C(C)C
COCCN1C[C@H](C(=O)N(Cc2cccc(Cl)c2)C(C)C)CC1=O COC[*:1] CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@H](C(=O)N(Cc2cccc(Cl)c2)C(C)C)CC1=O Clc1cccc(c1)C[*:1] COCCN1C[C@@H](CC1=O)C(=O)N(C(C)C)[*:1]
COCCN1C[C@H](C(=O)N(Cc2cccc(Cl)c2)C(C)C)CC1=O CC(C)[*:1] COCCN1C[C@@H](CC1=O)C(=O)N(Cc1cccc(Cl)c1)[*:1]
COCCN1C[C@H](C(=O)N(Cc2cccc(Cl)c2)C(C)C)CC1=O COCC[*:1] CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(NC(=O)N2CCN(C(=O)Cc3csc4ccccc34)CC2)cc1OC c1ccc2c(csc2c1)C[*:1] COc1ccc(cc1OC)NC(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(NC(=O)N2CCN(C(=O)Cc3csc4ccccc34)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(Cc1csc2ccccc12)N1CCN(CC1)C(=O)N[*:1]
COc1ccc(NC(=O)N2CCN(C(=O)Cc3csc4ccccc34)CC2)cc1OC c1ccc2c(csc2c1)[*:1] COc1ccc(cc1OC)NC(=O)N1CCN(CC1)C(=O)C[*:1]
C#CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 C#CC[*:1] C[C@H](NC(=O)N(C[C@H]1CCCO1)[*:1])c1cccc(c1)[N+](=O)[O-]
C#CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 C1CO[C@H](C1)C[*:1] C#CCN(C(=O)N[C@@H](C)c1cccc(c1)[N+](=O)[O-])[*:1]
C#CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 C1CO[C@H](C1)[*:1] C#CCN(C[*:1])C(=O)N[C@@H](C)c1cccc(c1)[N+](=O)[O-]
C#CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C#CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
Cc1cccc(C2=CCN(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)CC2)c1 NC(=O)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1cccc(C2=CCN(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)CC2)c1 Cc1cccc(c1)[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)N1CC=C(CC1)[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(C)cc4)cs3)cc2C1=O Cc1ccc(cc1)[*:1] COCCCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1nc(cs1)[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(C)cc4)cs3)cc2C1=O COCC[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
COCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(C)cc4)cs3)cc2C1=O COCCC[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(C)cc4)cs3)cc2C1=O COC[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)c1ccc2C(=O)N(CC[*:1])C(=O)c2c1
O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(F)c(Cl)c1 O=S1(=O)CCCN1[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc(F)c(Cl)c1
O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=S1(=O)CCCN1c1ccc(cc1)NS(=O)(=O)[*:1]
O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(Cc2cccs2)CO1 c1csc(c1)C[*:1] O=C1/C(=C/c2ccccc2)Oc2c1ccc1OCN(Cc12)[*:1]
O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(Cc2cccs2)CO1 c1ccc(cc1)[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(Cc3cccs3)Cc12
O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(Cc2cccs2)CO1 c1csc(c1)[*:1] O=C1/C(=C/c2ccccc2)Oc2c1ccc1OCN(Cc12)C[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N=c1[nH]c2ccccc2[nH]1 Fc1cccc(c1)[*:1] CC[C@@H](C)[C@@H](NC(=O)[*:1])C(=O)N=c1[nH]c2ccccc2[nH]1
CC[C@@H](C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N=c1[nH]c2ccccc2[nH]1 CC[C@@H](C)[*:1] O=C(N[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)[*:1])c1cccc(F)c1
Cc1c(F)cc(N)cc1S(=O)(=O)N[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)N[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)N[C@@H](C)C1CC1 C1CC1[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)N[C@@H](C)[*:1]
CCOC(=O)C(C)(C)c1nc(-c2ccccc2)no1 CCOC(=O)[*:1] CC(C)(c1nc(no1)-c1ccccc1)[*:1]
CCOC(=O)C(C)(C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CCOC(=O)C(C)(C)c1nc(no1)[*:1]
CCOC(=O)c1sc(/C=C/c2nc3c(s2)CCC3)nc1C CCOC(=O)[*:1] Cc1nc(/C=C/c2nc3CCCc3s2)sc1[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)cc1 CN(C)S(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(C(=O)N1CCCCC1)c1ccccc1
CN(C)S(=O)(=O)c1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N(C(=O)N1CCCCC1)[*:1]
CC[NH2+][C@@H](CC)c1ccccc1OCc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[NH2+][C@@H](CC)c1ccccc1OC[*:1]
C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1[*:1]
C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(F)cc1 C=CCOC(=O)[*:1] CC1N=C2S[C@H](C)C(=O)N2[C@H](C=1[*:1])c1ccc(F)cc1
C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(F)cc1 C=CC[*:1] CC1N=C2S[C@H](C)C(=O)N2[C@H](C=1C(=O)O[*:1])c1ccc(F)cc1
CCC[NH2+][C@]1(C(=O)OCC)CC[C@H](n2cc(Cl)c(C)n2)C1 CCOC(=O)[*:1] CCC[NH2+][C@@]1(CC[C@@H](C1)n1cc(Cl)c(C)n1)[*:1]
CCC[NH2+][C@]1(C(=O)OCC)CC[C@H](n2cc(Cl)c(C)n2)C1 Cc1nn(cc1Cl)[*:1] CCC[NH2+][C@@]1(CC[C@H](C1)[*:1])C(=O)OCC
CCC[NH2+][C@]1(C(=O)OCC)CC[C@H](n2cc(Cl)c(C)n2)C1 CCC[*:1] CCOC(=O)[C@]1(CC[C@@H](C1)n1cc(Cl)c(C)n1)[NH2+][*:1]
Cc1cc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)ccc1Br Cc1cc(ccc1Br)[*:1] Cn1c2ccccc2c2nnc(nc21)SCC(=O)N[*:1]
CCOC(=O)c1sc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1C CCOC(=O)[*:1] Cc1cc(NC(=O)c2ccc(cc2)-n2c(C)nc3ccccc3c2=O)sc1[*:1]
CC#CCC(=O)C1([NH+](CC)CC)CCCC1 CC#CC[*:1] CC[NH+](CC)C1(CCCC1)C(=O)[*:1]
CC#CCC(=O)C1([NH+](CC)CC)CCCC1 CC#C[*:1] CC[NH+](CC)C1(CCCC1)C(=O)C[*:1]
O=C(NCCCc1ccccc1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 c1ccc(cc1)CC[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
O=C(NCCCc1ccccc1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 c1ccc(cc1)CCC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
O=C(NCCCc1ccccc1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] O=C(NCCCc1ccccc1)C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCCc1ccccc1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
O=C(NCCCc1ccccc1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
O=Cc1ccc(OCc2ccn(-c3cccc(F)c3)n2)cc1 Fc1cccc(c1)[*:1] O=Cc1ccc(cc1)OCc1ccn(n1)[*:1]
Cc1[nH]c(=O)c(C(=O)N2CCN(c3ccccc3)C(=O)C2)c(C)c1C c1ccc(cc1)[*:1] Cc1[nH]c(=O)c(C(=O)N2CCN(C(=O)C2)[*:1])c(C)c1C
C[C@@H](NC(=O)NC[C@H]1CCCN(c2ncccn2)C1)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](NC(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
C[C@@H](NC(=O)NC[C@H]1CCCN(c2ncccn2)C1)C1CCOCC1 C[C@@H](C1CCOCC1)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)N[*:1]
C[C@@H](NC(=O)NC[C@H]1CCCN(c2ncccn2)C1)C1CCOCC1 c1cnc(nc1)[*:1] C[C@@H](NC(=O)NC[C@H]1CCCN(C1)[*:1])C1CCOCC1
O=C(NCCS(=O)(=O)c1ccccc1)N1CCC[C@@H]2CCC[C@@H]21 c1ccc(cc1)[*:1] O=C(NCCS(=O)(=O)[*:1])N1CCC[C@@H]2CCC[C@@H]21
Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cccc(C)c3)n2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1cc(NC(=O)[*:1])c(=O)n(CC(=O)Nc2cccc(C)c2)n1
Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cccc(C)c3)n2)cc1 Cc1cccc(c1)NC(=O)[*:1] Cc1ccc(cc1)-c1cc(NC(=O)C(C)C)c(=O)n(C[*:1])n1
Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cccc(C)c3)n2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)-c1cc(NC(=O)C(C)C)c(=O)n(CC(=O)N[*:1])n1
Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cccc(C)c3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)Cn1nc(cc(NC(=O)C(C)C)c1=O)[*:1]
Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cccc(C)c3)n2)cc1 CC(C)C(=O)N[*:1] Cc1ccc(cc1)-c1cc(c(=O)n(CC(=O)Nc2cccc(C)c2)n1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1C Cc1ccc(cc1C)[*:1] O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1C O=C([O-])[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)C(=O)[C@H]1CCCC[C@H]1[*:1]
Cc1cc(C)cc(OCC(C)(C)C[NH2+]C2CC2)c1 C1CC1[*:1] Cc1cc(C)cc(c1)OCC(C)(C)C[NH2+][*:1]
CCn1cc(/C=C/C(=O)c2ccc3ccccc3c2)cn1 CCn1cc(cn1)[*:1] O=C(C=C[*:1])c1ccc2ccccc2c1
CCC(CC)C(=O)Nc1cnn(-c2ccccc2F)c1 CCC(CC)[*:1] O=C(Nc1cnn(c1)-c1ccccc1F)[*:1]
COCCn1nnnc1[C@@H](C(C)C)N1CCSCC1 COC[*:1] CC(C)[C@H](c1nnnn1C[*:1])N1CCSCC1
COCCn1nnnc1[C@@H](C(C)C)N1CCSCC1 C1CN(CCS1)[*:1] COCCn1nnnc1[C@@H](C(C)C)[*:1]
COCCn1nnnc1[C@@H](C(C)C)N1CCSCC1 CC(C)[*:1] COCCn1nnnc1[C@@H](N1CCSCC1)[*:1]
COCCn1nnnc1[C@@H](C(C)C)N1CCSCC1 COCC[*:1] CC(C)[C@H](c1nnnn1[*:1])N1CCSCC1
O=C(NCCNS(=O)(=O)c1cccc(Cl)c1F)c1cccnc1 c1cncc(c1)[*:1] O=C(NCCNS(=O)(=O)c1cccc(Cl)c1F)[*:1]
Cc1ccc(CNC(=O)NCc2nnc3n2CCC3)s1 Cc1ccc(s1)[*:1] O=C(NCc1nnc2CCCn21)NC[*:1]
C/C=C/C[C@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 CC=C[*:1] CC(C)(C)OC(=O)N1CC[C@](C1)(C[*:1])C(=O)[O-]
C/C=C/C[C@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C/C=C/C[C@@]1(CCN(C1)C(=O)O[*:1])C(=O)[O-]
C/C=C/C[C@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 O=C([O-])[*:1] C/C=C/C[C@@]1(CCN(C1)C(=O)OC(C)(C)C)[*:1]
C/C=C/C[C@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 C/C=C/C[*:1] CC(C)(C)OC(=O)N1CC[C@](C1)(C(=O)[O-])[*:1]
O=C(N[C@@H](CO)c1ccco1)c1cc(Cl)ccc1OC1CCCC1 C1CCC(C1)[*:1] O=C(N[C@@H](CO)c1ccco1)c1cc(Cl)ccc1O[*:1]
O=C(N[C@@H](CO)c1ccco1)c1cc(Cl)ccc1OC1CCCC1 C1CCC(C1)O[*:1] O=C(N[C@@H](CO)c1ccco1)c1cc(Cl)ccc1[*:1]
O=C(N[C@@H](CO)c1ccco1)c1cc(Cl)ccc1OC1CCCC1 c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1cc(Cl)ccc1OC1CCCC1
CCOC(=O)c1cccc(NC(=O)c2cn[nH]c2C)c1 Cc1[nH]ncc1[*:1] CCOC(=O)c1cccc(c1)NC(=O)[*:1]
CCOC(=O)c1cccc(NC(=O)c2cn[nH]c2C)c1 CCOC(=O)[*:1] Cc1[nH]ncc1C(=O)Nc1cccc(c1)[*:1]
CCC(CC)[S@](=O)CCC(=O)[O-] O=C([O-])C[*:1] CCC(CC)[S@](=O)C[*:1]
CCC(CC)[S@](=O)CCC(=O)[O-] O=C([O-])[*:1] CCC(CC)[S@](=O)CC[*:1]
COCc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1 COC[*:1] CN(Cc1ccc(Cl)s1)C(=O)c1ccc(cc1)[*:1]
COCc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] COCc1ccc(cc1)C(=O)N(C)C[*:1]
CC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O CC[C@@H](C)[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O CC[C@@H](C)NC(=O)[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)[*:1]
COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cc(C)cc(C)c1 COc1ccc(C)cc1[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nnnn1[*:1]
COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] COc1ccc(C)cc1-n1nnnc1SCC(=O)N[*:1]
C[C@H](NC(=O)Cc1ccc[nH]1)C(=O)N1CCCC[C@H]1C c1c[nH]c(c1)[*:1] C[C@H](NC(=O)C[*:1])C(=O)N1CCCC[C@H]1C
C[C@H](NC(=O)Cc1ccc[nH]1)C(=O)N1CCCC[C@H]1C c1c[nH]c(c1)C[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCCC[C@H]1C
CCOC(=O)[C@H]1CCCN(C(=O)c2cc(C(C)C)n(C)n2)C1 CC(C)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)c1cc(n(C)n1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)c2cc(C(C)C)n(C)n2)C1 CCOC(=O)[*:1] CC(C)c1cc(nn1C)C(=O)N1CCC[C@@H](C1)[*:1]
C[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)[C@@H](C)n1cccn1 c1cnn(c1)[*:1] C[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)[C@@H](C)[*:1]
C[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)[C@@H](C)n1cccn1 c1ccc(cc1)C[*:1] C[C@H]([NH2+]Cc1nc(no1)[*:1])[C@@H](C)n1cccn1
C[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)[C@@H](C)n1cccn1 c1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1nc(C[*:1])no1)[C@@H](C)n1cccn1
c1cc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)no1 c1cc(C[*:1])no1 c1cc2OCCOc2cc1C[NH+]1CCN(CC1)[*:1]
c1cc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)no1 c1cc(no1)[*:1] c1cc2OCCOc2cc1C[NH+]1CCN(CC1)C[*:1]
CCCCNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C CCCCNC(=O)[*:1] Cc1nc2c3ccccc3nn2c(C)c1CC[*:1]
CCCCNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C CCC[*:1] Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[*:1]
CCCCNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C CCCC[*:1] Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[*:1]
CCCCNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C CCCCNC(=O)C[*:1] Cc1nc2c3ccccc3nn2c(C)c1C[*:1]
C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](C(N)=O)c2ccccc21 NC(=O)[*:1] C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](c2ccccc21)[*:1]
CCC[NH2+][C@H](Cc1nn(C)c2ccccc12)c1ncc[nH]1 c1c[nH]c(n1)[*:1] CCC[NH2+][C@H](Cc1nn(C)c2ccccc12)[*:1]
CCC[NH2+][C@H](Cc1nn(C)c2ccccc12)c1ncc[nH]1 CCC[*:1] Cn1nc(C[C@@H]([NH2+][*:1])c2ncc[nH]2)c2ccccc21
CC(C)c1noc(-c2cc[nH+]c(N3CCN(C(=O)[C@H]4C[C@H]4C)CC3)c2)n1 CC(C)c1noc(n1)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)c1cc(cc[nH+]1)[*:1]
CC(C)c1noc(-c2cc[nH+]c(N3CCN(C(=O)[C@H]4C[C@H]4C)CC3)c2)n1 CC(C)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)c1cc(cc[nH+]1)-c1nc(no1)[*:1]
O=C(NCc1cccnc1)NCc1ccnc(OCC(F)F)c1 FC(F)[*:1] O=C(NCc1cccnc1)NCc1ccnc(c1)OC[*:1]
O=C(NCc1cccnc1)NCc1ccnc(OCC(F)F)c1 c1cncc(c1)[*:1] O=C(NCc1ccnc(c1)OCC(F)F)NC[*:1]
O=C(NCc1cccnc1)NCc1ccnc(OCC(F)F)c1 FC(F)CO[*:1] O=C(NCc1cccnc1)NCc1ccnc(c1)[*:1]
O=C(NCc1cccnc1)NCc1ccnc(OCC(F)F)c1 c1cncc(c1)C[*:1] O=C(NCc1ccnc(c1)OCC(F)F)N[*:1]
O=C(NCc1cccnc1)NCc1ccnc(OCC(F)F)c1 FC(F)C[*:1] O=C(NCc1cccnc1)NCc1ccnc(c1)O[*:1]
C[C@@H](NC(=O)N1CCCCCCC1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)N1CCCCCCC1)[*:1]
COc1ccc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)cc1OC COc1ccc(cc1OC)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)NCc1ccccc1)[*:1]
COc1ccc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1C(C(=O)NC[*:1])=C(C)Nc2ncnn21
COc1ccc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)cc1OC O=C(NCc1ccccc1)[*:1] COc1ccc(cc1OC)[C@H]1C(=C(C)Nc2ncnn21)[*:1]
COc1ccc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)[C@H]1C(C(=O)N[*:1])=C(C)Nc2ncnn21
Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCCC(C)C CC(C)[*:1] Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCC[*:1]
Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCCC(C)C CC(C)CC[*:1] Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N[*:1]
Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCCC(C)C CC(C)C[*:1] Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NC[*:1]
COc1cc(CNC(=O)c2occc2Br)ccn1 Brc1ccoc1[*:1] COc1cc(ccn1)CNC(=O)[*:1]
O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1Cc2ccccc2O1 Fc1cc(ccc1Cl)[*:1] O=C(N[C@@H]1CCO[C@H]1[*:1])[C@H]1Cc2ccccc2O1
O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc2ccccc2c1 O=C(N[*:1])c1ccco1 O=C(C[*:1])OCC(=O)c1ccc2ccccc2c1
O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc2ccccc2c1 c1coc(c1)[*:1] O=C(CNC(=O)[*:1])OCC(=O)c1ccc2ccccc2c1
O=C(c1cc2c(F)cccc2[nH]1)N(C[C@@H]1CCCO1)c1ccncc1 c1cc(ccn1)[*:1] O=C(c1cc2c(F)cccc2[nH]1)N(C[C@@H]1CCCO1)[*:1]
CSc1ccccc1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CSc1ccccc1NC(=O)N[C@@H](CO)[*:1]
O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(OC[*:1])C1(CCCC1)c1ccccc1F
O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCOCC1 Fc1ccccc1[*:1] O=C(COC(=O)C1(CCCC1)[*:1])N1CCOCC1
CC1(C)C(=O)NCC[NH+]1Cc1ccc(OCC(F)F)cc1 FC(F)CO[*:1] CC1(C)C(=O)NCC[NH+]1Cc1ccc(cc1)[*:1]
CC1(C)C(=O)NCC[NH+]1Cc1ccc(OCC(F)F)cc1 FC(F)[*:1] CC1(C)C(=O)NCC[NH+]1Cc1ccc(cc1)OC[*:1]
CC1(C)C(=O)NCC[NH+]1Cc1ccc(OCC(F)F)cc1 FC(F)C[*:1] CC1(C)C(=O)NCC[NH+]1Cc1ccc(cc1)O[*:1]
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC(C)C)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1C(=O)Nc1ccc(cc1)C(=O)NC(C)C)[*:1]
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1C(=O)Nc1ccc(cc1)C(=O)N[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1C(=O)Nc1ccc(cc1)[*:1])[N+](=O)[O-]
C[C@@H]([C@@H](O)c1ccc2ncnn2c1)[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]([C@@H](O)c1ccc2ncnn2c1)[*:1]
C[C@@H]([C@@H](O)c1ccc2ncnn2c1)[N+](=O)[O-] C[C@@H]([N+](=O)[O-])[*:1] O[C@@H](c1ccc2ncnn2c1)[*:1]
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCC[C@@H]1O O[C@H]1CCC[C@@H]1C[*:1] C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[*:1]
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCC[C@@H]1O O[C@H]1CCC[C@@H]1[*:1] C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[*:1]
Cc1ccc([C@H](C)NC(=O)CN(C)C(=O)OC(C)(C)C)cc1F CC(C)(C)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)CN(C)C(=O)O[*:1]
CC(=O)NCCC(=O)N1CCC[C@@H](C)C1 CC(=O)N[*:1] C[C@@H]1CCCN(C1)C(=O)CC[*:1]
CC(=O)NCCC(=O)N1CCC[C@@H](C)C1 CC(=O)NC[*:1] C[C@@H]1CCCN(C1)C(=O)C[*:1]
COc1ccc(N2CCn3c2nn(CC(N)=O)c(=O)c3=O)cc1 NC(=O)C[*:1] COc1ccc(cc1)N1CCn2c1nn(c(=O)c2=O)[*:1]
COc1ccc(N2CCn3c2nn(CC(N)=O)c(=O)c3=O)cc1 NC(=O)[*:1] COc1ccc(cc1)N1CCn2c1nn(C[*:1])c(=O)c2=O
ClC(Cl)(Cl)c1nonc1C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] ClC(Cl)(Cl)c1nonc1[*:1]
CCc1sc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1C CCc1sc(cc1C)[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
CCc1sc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1C NC(=O)[*:1] CCc1sc(cc1C)C(=O)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
CCc1sc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1C c1ccc(cc1)[*:1] CCc1sc(cc1C)C(=O)N1CCN(CC1)[C@@H](C(N)=O)[*:1]
C[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1ccc(C#N)cc1 CC(C)(C)OC[*:1] C[C@@H](Nc1ccc(cc1)[*:1])c1ccc(C#N)cc1
C[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1ccc(C#N)cc1 CC(C)(C)O[*:1] C[C@@H](Nc1ccc(cc1)C[*:1])c1ccc(C#N)cc1
C[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1ccc(C#N)cc1 CC(C)(C)[*:1] C[C@@H](Nc1ccc(cc1)CO[*:1])c1ccc(C#N)cc1
NC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])c1cccn(Cc2ccc(F)cc2)c1=O
NC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 Fc1ccc(cc1)C[*:1] NC(=O)c1ccc(cc1)NC(=O)c1cccn(c1=O)[*:1]
NC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccn(Cc2ccc(F)cc2)c1=O
NC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 Fc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)c1cccn(C[*:1])c1=O
Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)cc1CC2 O=C(N1CCCC1)[*:1] Cc1c(oc2CCc3cn(CC(=O)N4C[C@@H](C)C[C@@H](C)C4)nc3-c21)[*:1]
Cc1cc(C)cc(NC(=O)CC(C)C)c1 CC(C)[*:1] Cc1cc(C)cc(c1)NC(=O)C[*:1]
Cc1cc(C)cc(NC(=O)CC(C)C)c1 CC(C)C[*:1] Cc1cc(C)cc(c1)NC(=O)[*:1]
CCOC(=O)C[C@H](C)CNC(=O)C(=O)N1CCc2ccc(C)cc21 CCOC(=O)C[C@H](C)[*:1] Cc1ccc2CCN(C(=O)C(=O)NC[*:1])c2c1
CCOC(=O)C[C@H](C)CNC(=O)C(=O)N1CCc2ccc(C)cc21 CCOC(=O)C[*:1] Cc1ccc2CCN(C(=O)C(=O)NC[C@@H](C)[*:1])c2c1
CCOC(=O)C[C@H](C)CNC(=O)C(=O)N1CCc2ccc(C)cc21 CCOC(=O)[*:1] Cc1ccc2CCN(C(=O)C(=O)NC[C@@H](C)C[*:1])c2c1
CCNc1ccc2c(OC)ccc(F)c2n1 CCN[*:1] COc1ccc(F)c2nc(ccc12)[*:1]
Fc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)cc1Br Fc1ccc(cc1Br)[*:1] Brc1ccc(cc1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
Fc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)cc1Br Brc1ccc(cc1)[*:1] Fc1ccc(cc1Br)[C@@H]1C[C@@H](Nc2ncnn21)[*:1]
Cc1ccc(NCc2cccc(C(=O)NCc3ccco3)c2)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(NCc1ccco1)c1cccc(c1)CN[*:1]
Cc1ccc(NCc2cccc(C(=O)NCc3ccco3)c2)c(F)c1 c1coc(c1)C[*:1] Cc1ccc(NCc2cccc(c2)C(=O)N[*:1])c(F)c1
Cc1ccc(NCc2cccc(C(=O)NCc3ccco3)c2)c(F)c1 c1coc(c1)[*:1] Cc1ccc(NCc2cccc(c2)C(=O)NC[*:1])c(F)c1
Cc1c(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cnn1C Cc1c(cnn1C)[*:1] CN(C(=O)[*:1])[C@@H]1CCN(C1=O)c1ccccc1Cl
Cc1c(C(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cnn1C Clc1ccccc1[*:1] Cc1c(cnn1C)C(=O)N(C)[C@@H]1CCN(C1=O)[*:1]
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1cccc(Cl)c1C CC(C)(C)[*:1] Cc1nc([nH]c(=O)c1C(=O)Nc1cccc(Cl)c1C)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CCc3ccccc3)nn2)C1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)c1cn(CC[*:1])nn1
CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CCc3ccccc3)nn2)C1 c1ccc(cc1)C[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)c1cn(C[*:1])nn1
CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CCc3ccccc3)nn2)C1 c1ccc(cc1)CC[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)c1cn(nn1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CCc3ccccc3)nn2)C1 CCOC(=O)[*:1] O=C(c1cn(CCc2ccccc2)nn1)N1CCC[C@@H](C1)[*:1]
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)c(Cl)c1 O=C([O-])[*:1] C[C@@H]1[C@H](CCN1S(=O)(=O)c1ccc(F)c(Cl)c1)[*:1]
CN(Cc1ccno1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12 c1cc(on1)[*:1] CN(Cc1c(nc2ccccn12)C(=O)N1CC[NH+](CC1)C1CCCCC1)C[*:1]
CN(Cc1ccno1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12 c1cc(C[*:1])on1 CN(Cc1c(nc2ccccn12)C(=O)N1CC[NH+](CC1)C1CCCCC1)[*:1]
CN(Cc1ccno1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12 CN(Cc1ccno1)[*:1] O=C(c1nc2ccccn2c1C[*:1])N1CC[NH+](CC1)C1CCCCC1
CN(Cc1ccno1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12 CN(Cc1ccno1)C[*:1] O=C(c1nc2ccccn2c1[*:1])N1CC[NH+](CC1)C1CCCCC1
CN(Cc1ccno1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12 C1CCC(CC1)[*:1] CN(Cc1ccno1)Cc1c(nc2ccccn12)C(=O)N1CC[NH+](CC1)[*:1]
COc1ccc(OCC(=O)N/N=C2\CCCc3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])N/N=C1\CCCc2ccccc21
CC(C)c1nsc(NC[C@H](C2CC2)[NH+](C)C)n1 CC(C)[*:1] C[NH+](C)[C@H](CNc1nc(ns1)[*:1])C1CC1
CC(C)c1nsc(NC[C@H](C2CC2)[NH+](C)C)n1 C1CC1[*:1] CC(C)c1nsc(n1)NC[C@H]([NH+](C)C)[*:1]
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(S(=O)(=O)NC2CC2)ccc1Br C1CC1[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(ccc1Br)S(=O)(=O)N[*:1]
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(S(=O)(=O)NC2CC2)ccc1Br O=S(=O)(NC1CC1)[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(ccc1Br)[*:1]
Cc1ccc(NC(=S)NC(C)C)cc1C CC(C)[*:1] Cc1ccc(cc1C)NC(=S)N[*:1]
CCOc1ccc(Nc2ccc(C#N)c([N+](=O)[O-])c2)cc1 CCO[*:1] N#Cc1ccc(cc1[N+](=O)[O-])Nc1ccc(cc1)[*:1]
CCOc1ccc(Nc2ccc(C#N)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)Nc1ccc(C#N)c(c1)[*:1]
CC(C)OC(=O)CCNC(=O)c1cnn(-c2ccc(F)cc2)n1 CC(C)[*:1] O=C(CCNC(=O)c1cnn(n1)-c1ccc(F)cc1)O[*:1]
CC(C)OC(=O)CCNC(=O)c1cnn(-c2ccc(F)cc2)n1 CC(C)OC(=O)[*:1] O=C(NCC[*:1])c1cnn(n1)-c1ccc(F)cc1
CC(C)OC(=O)CCNC(=O)c1cnn(-c2ccc(F)cc2)n1 CC(C)OC(=O)C[*:1] O=C(NC[*:1])c1cnn(n1)-c1ccc(F)cc1
CC(C)OC(=O)CCNC(=O)c1cnn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)OC(=O)CCNC(=O)c1cnn(n1)[*:1]
CCCCOc1ccccc1NC(=O)c1scnc1C1CC1 CCCC[*:1] O=C(Nc1ccccc1O[*:1])c1scnc1C1CC1
CCCCOc1ccccc1NC(=O)c1scnc1C1CC1 CCCCO[*:1] O=C(Nc1ccccc1[*:1])c1scnc1C1CC1
CCCCOc1ccccc1NC(=O)c1scnc1C1CC1 CCC[*:1] O=C(Nc1ccccc1OC[*:1])c1scnc1C1CC1
CCCCOc1ccccc1NC(=O)c1scnc1C1CC1 C1CC1[*:1] CCCCOc1ccccc1NC(=O)c1scnc1[*:1]
Cc1c([C@H](C)NC(=O)c2[nH]c3ccccc3c2Cl)cnn1C Cc1c(cnn1C)[*:1] C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)[*:1]
CSc1cccc2sc(N3CCN(C(=O)c4ccn(C(C)C)n4)CC3)nc12 CC(C)n1ccc(n1)[*:1] CSc1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
CSc1cccc2sc(N3CCN(C(=O)c4ccn(C(C)C)n4)CC3)nc12 CC(C)[*:1] CSc1cccc2sc(nc12)N1CCN(CC1)C(=O)c1ccn(n1)[*:1]
Cc1ccc(C)c2nc3sc(C(=O)Nc4ccc5c(c4)OCO5)c(N)c3cc12 c1cc2OCOc2cc1[*:1] Cc1ccc(C)c2nc3sc(C(=O)N[*:1])c(N)c3cc12
COC(=O)CCN(Cc1cnc2ncccn12)C1CCOCC1 COC(=O)CC[*:1] c1cnc2ncc(CN(C3CCOCC3)[*:1])n2c1
COC(=O)CCN(Cc1cnc2ncccn12)C1CCOCC1 COC(=O)C[*:1] c1cnc2ncc(CN(C[*:1])C3CCOCC3)n2c1
COC(=O)CCN(Cc1cnc2ncccn12)C1CCOCC1 C1CC(CCO1)[*:1] COC(=O)CCN(Cc1cnc2ncccn12)[*:1]
COC(=O)CCN(Cc1cnc2ncccn12)C1CCOCC1 COC(=O)[*:1] c1cnc2ncc(CN(CC[*:1])C3CCOCC3)n2c1
O=C(c1c[nH]c2ccc(F)cc12)N(CC1CC1)CC(F)(F)F C1CC1C[*:1] O=C(c1c[nH]c2ccc(F)cc12)N(CC(F)(F)F)[*:1]
O=C(c1c[nH]c2ccc(F)cc12)N(CC1CC1)CC(F)(F)F C1CC1[*:1] O=C(c1c[nH]c2ccc(F)cc12)N(CC(F)(F)F)C[*:1]
O=C(c1c[nH]c2ccc(F)cc12)N(CC1CC1)CC(F)(F)F FC(F)(F)C[*:1] O=C(c1c[nH]c2ccc(F)cc12)N(CC1CC1)[*:1]
O=C(c1c[nH]c2ccc(F)cc12)N(CC1CC1)CC(F)(F)F FC(F)(F)[*:1] O=C(c1c[nH]c2ccc(F)cc12)N(CC1CC1)C[*:1]
O=C(Cc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl Clc1ccc(cc1)[*:1] O=C(C[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl
O=C(Cc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl Clc1ccc(cc1)C[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl)[*:1]
O=C(Cc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(Cc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CC1)O[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CC1)OC[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CC1)[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Cc1cccc(C)c1[*:1] O=C(C[NH+]1CCC(CC1)OCc1ccc(F)cc1)N[*:1]
CC(C)[C@@H](C)CC(=O)NNC(=S)NC1CCCCC1 CC(C)[*:1] C[C@@H](CC(=O)NNC(=S)NC1CCCCC1)[*:1]
CC(C)[C@@H](C)CC(=O)NNC(=S)NC1CCCCC1 C1CCC(CC1)[*:1] CC(C)[C@@H](C)CC(=O)NNC(=S)N[*:1]
CC(C)[C@@H](C)CC(=O)NNC(=S)NC1CCCCC1 CC(C)[C@@H](C)[*:1] O=C(C[*:1])NNC(=S)NC1CCCCC1
CC(C)[C@@H](C)CC(=O)NNC(=S)NC1CCCCC1 CC(C)[C@@H](C)C[*:1] O=C(NNC(=S)NC1CCCCC1)[*:1]
CC(=O)N[C@@H]1C(=O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C CC(=O)N[*:1] C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](C(=O)C[C@H]12)[*:1]
Cc1ccc(N2CC[C@H](C(=O)NC[C@@H](CC(C)C)N3CCOCC3)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@H](CNC(=O)[C@H]1CCN(C1=O)[*:1])N1CCOCC1
Cc1ccc(N2CC[C@H](C(=O)NC[C@@H](CC(C)C)N3CCOCC3)C2=O)cc1 CC(C)C[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)NC[C@@H](N2CCOCC2)[*:1])C1=O
Cc1ccc(N2CC[C@H](C(=O)NC[C@@H](CC(C)C)N3CCOCC3)C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)NC[C@@H](C[*:1])N2CCOCC2)C1=O
Cc1ccc(N2CC[C@H](C(=O)NC[C@@H](CC(C)C)N3CCOCC3)C2=O)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)NC[C@@H](CC(C)C)[*:1])C1=O
Cc1ccc(C(F)(F)F)cc1/C=C/C(=O)[O-] FC(F)(F)[*:1] Cc1ccc(cc1/C=C/C(=O)[O-])[*:1]
Cc1ccc(C(F)(F)F)cc1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] Cc1ccc(cc1[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)cc1/C=C/C(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1C=C[*:1])C(F)(F)F
c1cc(C[NH2+]Cc2ccco2)cc(OC2CCCC2)c1 C1CCC(C1)[*:1] c1cc(cc(c1)O[*:1])C[NH2+]Cc1ccco1
c1cc(C[NH2+]Cc2ccco2)cc(OC2CCCC2)c1 C1CCC(C1)O[*:1] c1cc(cc(c1)[*:1])C[NH2+]Cc1ccco1
c1cc(C[NH2+]Cc2ccco2)cc(OC2CCCC2)c1 c1coc(c1)[*:1] c1cc(cc(c1)OC1CCCC1)C[NH2+]C[*:1]
c1cc(C[NH2+]Cc2ccco2)cc(OC2CCCC2)c1 c1coc(c1)C[*:1] c1cc(cc(c1)OC1CCCC1)C[NH2+][*:1]
O=C(c1cccs1)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)cn2nnnc12 Fc1ccc(cc1)[*:1] O=C(c1cccs1)N(Cc1cc(cn2nnnc12)-c1ccccc1)C[*:1]
O=C(c1cccs1)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)cn2nnnc12 Fc1ccc(cc1)C[*:1] O=C(c1cccs1)N(Cc1cc(cn2nnnc12)-c1ccccc1)[*:1]
O=C(c1cccs1)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)cn2nnnc12 c1csc(c1)[*:1] O=C(N(Cc1ccc(F)cc1)Cc1cc(cn2nnnc12)-c1ccccc1)[*:1]
O=C(c1cccs1)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)cn2nnnc12 c1ccc(cc1)[*:1] O=C(c1cccs1)N(Cc1ccc(F)cc1)Cc1cc(cn2nnnc12)[*:1]
c1cc(-c2nc3c4cn[nH]c4ncn3n2)ccc1COc1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] c1cc(ccc1CO[*:1])-c1nc2c3cn[nH]c3ncn2n1
CNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CNC(=O)CNS(=O)(=O)c1cccc(c1)[*:1]
CNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 CNC(=O)[*:1] O=S(=O)(NC[*:1])c1cccc(c1)C(F)(F)F
CNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 CNC(=O)C[*:1] O=S(=O)(N[*:1])c1cccc(c1)C(F)(F)F
Cc1ccc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C([O-])C[C@@H]1CN(c2ccccc21)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(C)c1 O=C([O-])C[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1C[C@@H](c2ccccc21)[*:1]
Cc1ccc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(C)c1 O=C([O-])[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1C[C@@H](C[*:1])c2ccccc21
Cc1cc(N)nc(SCC(=O)NC[C@@H](c2ccccc2)C(C)C)n1 CC(C)[*:1] Cc1cc(N)nc(n1)SCC(=O)NC[C@@H](c1ccccc1)[*:1]
Cc1cc(N)nc(SCC(=O)NC[C@@H](c2ccccc2)C(C)C)n1 c1ccc(cc1)[*:1] Cc1cc(N)nc(n1)SCC(=O)NC[C@@H](C(C)C)[*:1]
Cc1cc(N)nc(SCC(=O)NC[C@@H](c2ccccc2)C(C)C)n1 Cc1cc(N)nc(n1)[*:1] CC(C)[C@@H](CNC(=O)CS[*:1])c1ccccc1
Cn1cc(C(N)=O)c(NC(=O)c2ccc3sccc3c2)n1 NC(=O)[*:1] Cn1cc(c(n1)NC(=O)c1ccc2sccc2c1)[*:1]
COc1cc2c(cc1O)[C@H](c1cnc(-c3cccc(C)c3)nc1)CC(=O)N2 Cc1cccc(c1)[*:1] COc1cc2NC(=O)C[C@@H](c3cnc(nc3)[*:1])c2cc1O
CC(=O)Nc1ccc(O[C@H](C)c2nc(C(C)(C)C)no2)cc1 CC(C)(C)[*:1] CC(=O)Nc1ccc(cc1)O[C@H](C)c1nc(no1)[*:1]
CC(=O)Nc1ccc(O[C@H](C)c2nc(C(C)(C)C)no2)cc1 CC(=O)N[*:1] C[C@@H](Oc1ccc(cc1)[*:1])c1nc(no1)C(C)(C)C
O=C(c1c(-c2ccccc2)nc2sc3c(n12)CCCC3)C(F)(F)F FC(F)(F)[*:1] O=C(c1c(nc2sc3CCCCc3n12)-c1ccccc1)[*:1]
O=C(c1c(-c2ccccc2)nc2sc3c(n12)CCCC3)C(F)(F)F O=C(C(F)(F)F)[*:1] c1ccc(cc1)-c1nc2sc3CCCCc3n2c1[*:1]
O=C(c1c(-c2ccccc2)nc2sc3c(n12)CCCC3)C(F)(F)F c1ccc(cc1)[*:1] O=C(c1c(nc2sc3CCCCc3n12)[*:1])C(F)(F)F
C=C[C@](C)(O)CC[C@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@@]21C C=C[C@](C)(O)C[*:1] CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[*:1]
C=C[C@](C)(O)CC[C@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@@]21C C=C[C@](C)(O)CC[*:1] CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[*:1]
C=C[C@](C)(O)CC[C@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@@]21C C=C[C@](C)(O)[*:1] CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[*:1]
CC[C@H](C)Sc1nncn1-c1ccccc1C CC[C@H](C)[*:1] Cc1ccccc1-n1cnnc1S[*:1]
CC[C@H](C)Sc1nncn1-c1ccccc1C CC[C@H](C)S[*:1] Cc1ccccc1-n1cnnc1[*:1]
COCC(=O)N1CCCc2ccc(NC(=O)c3cccc(Br)c3)cc21 COC[*:1] O=C(Nc1ccc2CCCN(C(=O)[*:1])c2c1)c1cccc(Br)c1
COCC(=O)N1CCCc2ccc(NC(=O)c3cccc(Br)c3)cc21 Brc1cccc(c1)[*:1] COCC(=O)N1CCCc2ccc(cc21)NC(=O)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2ccccc2c1 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc2ccccc2c1
Cc1cc(Br)ccc1SCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 c1cc2OCCOc2cc1[*:1] Cc1cc(Br)ccc1SCC(=O)N1CCC(CC1)C(=O)[*:1]
Cc1cc(Br)ccc1SCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 Cc1cc(Br)ccc1S[*:1] O=C(c1ccc2OCCOc2c1)C1CCN(CC1)C(=O)C[*:1]
Cc1cc(Br)ccc1SCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 Cc1cc(Br)ccc1[*:1] O=C(c1ccc2OCCOc2c1)C1CCN(CC1)C(=O)CS[*:1]
Cc1cc(Br)ccc1SCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 Cc1cc(Br)ccc1SC[*:1] O=C(c1ccc2OCCOc2c1)C1CCN(CC1)C(=O)[*:1]
C[C@H](CN(C)C(=O)c1ccc(F)c(F)c1F)C(=O)[O-] O=C([O-])[*:1] C[C@H](CN(C)C(=O)c1ccc(F)c(F)c1F)[*:1]
NC(=O)c1ccc(SCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(SCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c(c1)[*:1]
NC(=O)c1ccc(SCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c([N+](=O)[O-])c1 NC(=O)[*:1] O=C(CSc1ccc(cc1[N+](=O)[O-])[*:1])Nc1ccc2c(c1)Cc1ccccc1-2
CN(C(=O)CSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(C(=O)CSCC(F)(F)F)c1cccc(c1)[*:1]
CN(C(=O)CSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 FC(F)(F)[*:1] CN(C(=O)CSC[*:1])c1cccc(c1)[N+](=O)[O-]
CN(C(=O)CSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 FC(F)(F)C[*:1] CN(C(=O)CS[*:1])c1cccc(c1)[N+](=O)[O-]
CN(C(=O)CSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 FC(F)(F)CS[*:1] CN(C(=O)C[*:1])c1cccc(c1)[N+](=O)[O-]
C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1[C@H]1COc2ccccc2O1 Cc1cc(no1)NC(=O)[*:1] C=CCn1c(nnc1[C@H]1COc2ccccc2O1)SC[*:1]
C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1[C@H]1COc2ccccc2O1 Cc1cc(no1)[*:1] C=CCn1c(nnc1[C@H]1COc2ccccc2O1)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1[C@H]1COc2ccccc2O1 C=CC[*:1] Cc1cc(no1)NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1[*:1]
CC(=O)N[C@@H](CC(=O)Nc1ccnn1Cc1ccc(C)o1)c1ccccc1 Cc1ccc(C[*:1])o1 CC(=O)N[C@@H](CC(=O)Nc1ccnn1[*:1])c1ccccc1
CC(=O)N[C@@H](CC(=O)Nc1ccnn1Cc1ccc(C)o1)c1ccccc1 Cc1ccc(o1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1ccnn1C[*:1])c1ccccc1
CC(=O)N[C@@H](CC(=O)Nc1ccnn1Cc1ccc(C)o1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1ccnn1Cc1ccc(C)o1)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1ccnn1Cc1ccc(C)o1)c1ccccc1 CC(=O)N[*:1] Cc1ccc(Cn2nccc2NC(=O)C[C@@H](c2ccccc2)[*:1])o1
CNC(=O)Cc1nc(C[NH+](C)C2CCC(c3ccccc3)CC2)cs1 CNC(=O)[*:1] C[NH+](Cc1csc(C[*:1])n1)C1CCC(CC1)c1ccccc1
CNC(=O)Cc1nc(C[NH+](C)C2CCC(c3ccccc3)CC2)cs1 c1ccc(cc1)[*:1] CNC(=O)Cc1nc(cs1)C[NH+](C)C1CCC(CC1)[*:1]
CNC(=O)Cc1nc(C[NH+](C)C2CCC(c3ccccc3)CC2)cs1 CNC(=O)C[*:1] C[NH+](Cc1csc(n1)[*:1])C1CCC(CC1)c1ccccc1
COCCOc1c(Cl)cccc1NC(=O)Cc1c[nH]c2ccccc12 COC[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1cccc(Cl)c1OC[*:1]
COCCOc1c(Cl)cccc1NC(=O)Cc1c[nH]c2ccccc12 COCCO[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1cccc(Cl)c1[*:1]
COCCOc1c(Cl)cccc1NC(=O)Cc1c[nH]c2ccccc12 COCC[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1cccc(Cl)c1O[*:1]
CC(C)(C)OC(=O)N1CC[C@H]2CC(=O)[C@H]2C1 CC(C)(C)[*:1] O=C1C[C@@H]2CCN(C[C@H]12)C(=O)O[*:1]
C[C@@H](CCO)SCc1ccccc1OC(F)F C[C@@H](CCO)[*:1] FC(F)Oc1ccccc1CS[*:1]
C[C@@H](CCO)SCc1ccccc1OC(F)F OCC[*:1] C[C@@H](SCc1ccccc1OC(F)F)[*:1]
C[C@@H](CCO)SCc1ccccc1OC(F)F FC(F)O[*:1] C[C@@H](CCO)SCc1ccccc1[*:1]
C[C@@H](CCO)SCc1ccccc1OC(F)F FC(F)[*:1] C[C@@H](CCO)SCc1ccccc1O[*:1]
COc1ccccc1CNC(=O)COc1ncnc2oc(C)c(C)c12 COc1ccccc1[*:1] Cc1oc2ncnc(OCC(=O)NC[*:1])c2c1C
Fc1ccc(F)c(C[NH+]2CCC(n3cc(-c4cccnc4)nn3)CC2)c1F c1cncc(c1)[*:1] Fc1ccc(F)c(C[NH+]2CCC(CC2)n2cc(nn2)[*:1])c1F
Fc1ccc(F)c(C[NH+]2CCC(n3cc(-c4cccnc4)nn3)CC2)c1F Fc1ccc(F)c(c1F)[*:1] c1cncc(c1)-c1cn(nn1)C1CC[NH+](CC1)C[*:1]
Cc1nc2ncnn2c(NCCOC2CCCCCC2)c1C C1CCCC(CC1)[*:1] Cc1nc2ncnn2c(NCCO[*:1])c1C
C[C@H]1CN(Cc2cnn(-c3ccccc3)n2)C[C@H](C)S1 c1ccc(cc1)[*:1] C[C@H]1CN(Cc2cnn(n2)[*:1])C[C@H](C)S1
COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(F)cn2)c2[nH+]ccn2C)c1 C[C@@H](c1ccc(F)cn1)[*:1] COc1cc(cc(c1)[C@@H](N[*:1])c1[nH+]ccn1C)OC
COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(F)cn2)c2[nH+]ccn2C)c1 Fc1ccc(nc1)[*:1] COc1cc(cc(c1)[C@@H](N[C@@H](C)[*:1])c1[nH+]ccn1C)OC
CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(-n2cc(C)cn2)cc1 Cc1cnn(c1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)[*:1]
C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)C1CC1 C[C@@H](NC(=O)[*:1])C1CC1 c1ccc(c(c1)CSc1nc2ccccc2[nH]1)[*:1]
COc1ccc(C(=O)N(CC2=CC=C[C@@H]3N=CC=C23)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C(N(CC1=CC=C[C@@H]2N=CC=C12)C1CC1)[*:1]
COc1ccc(C(=O)N(CC2=CC=C[C@@H]3N=CC=C23)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)C(=O)N(CC1=CC=C[C@@H]2N=CC=C12)[*:1]
CCc1ccc(-c2nc(N)ccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)-c1nc(N)ccc1[*:1]
c1csc([C@@H]2CN(Cc3cnc(C4CCC4)s3)CCO2)c1 c1csc(c1)[*:1] c1nc(sc1CN1CCO[C@@H](C1)[*:1])C1CCC1
c1csc([C@@H]2CN(Cc3cnc(C4CCC4)s3)CCO2)c1 C1CC(C1)[*:1] c1csc(c1)[C@@H]1CN(CCO1)Cc1cnc(s1)[*:1]
O=S(=O)(/N=C(\[O-])c1ccsc1)N1CCCC1 c1cc(cs1)[*:1] O=S(=O)(/N=C(\[O-])[*:1])N1CCCC1
Cc1nccn1CC(=O)N1CCCC[C@@H]1CCNC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nccn1CC(=O)N1CCCC[C@@H]1CCNC(=O)[*:1]
Cc1nccn1CC(=O)N1CCCC[C@@H]1CCNC(=O)c1ccccc1 Cc1nccn1[*:1] O=C(NCC[C@H]1CCCCN1C(=O)C[*:1])c1ccccc1
Cc1nccn1CC(=O)N1CCCC[C@@H]1CCNC(=O)c1ccccc1 Cc1nccn1C[*:1] O=C(NCC[C@H]1CCCCN1C(=O)[*:1])c1ccccc1
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1C[C@H]1CCCO1)[*:1])C(=O)Nc1ccc2OCOc2c1
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 C1CO[C@H](C1)C[*:1] C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1[*:1])C(=O)Nc1ccc2OCOc2c1
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)N[*:1]
COc1ccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)cs3)c2C)cc1OC c1cc2OCOc2cc1[*:1] COc1ccc(cc1OC)-n1nnc(-c2nc(cs2)[*:1])c1C
COc1ccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)cs3)c2C)cc1OC COc1ccc(cc1OC)[*:1] Cc1c(nnn1[*:1])-c1nc(cs1)-c1ccc2OCOc2c1
CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1ccc2NC(=O)C(C)(C)c2c1)[*:1]
Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C([C@H]1C[C@H]1c1ccc(Cl)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)c(C)s1 Clc1ccc(cc1)[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)[C@@H](O)c1ccccc1 Clc1ccc(nn1)[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@@H](O)c1ccccc1
O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)[C@@H](O)c1ccccc1 Clc1ccc(nn1)O[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H](O)c1ccccc1
O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] O=C(Nc1ccc(cc1)Oc1ccc(Cl)nn1)[*:1]
O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)Oc1ccc(Cl)nn1)[C@@H](O)[*:1]
CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1cccc(Cl)c1Cl CCC[*:1] O=C(C[C@H]1CSc2nc(cc(=O)n21)[*:1])Nc1cccc(Cl)c1Cl
CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N[*:1]
Cc1ccc(NC(=O)CSc2nnc([C@@H]3CCCN3C(=O)c3cccc(C)c3)n2C)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)CSc1nnc([C@@H]2CCCN2C(=O)[*:1])n1C
Cc1ccc(NC(=O)CSc2nnc([C@@H]3CCCN3C(=O)c3cccc(C)c3)n2C)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1cccc(c1)C(=O)N1CCC[C@H]1c1nnc(SC[*:1])n1C
Cc1ccc(NC(=O)CSc2nnc([C@@H]3CCCN3C(=O)c3cccc(C)c3)n2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CCC[C@H]1c1nnc(SCC(=O)N[*:1])n1C
Cc1noc(C)c1CCCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] Cc1noc(C)c1CCCNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
Cc1noc(C)c1CCCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])N[C@H]1CC(=O)N(C1)C1CC1
CC(C)(C)[C@@H]1CCC(=O)[C@@H](CN2CCOCC2)C1 CC(C)(C)[*:1] O=C1CC[C@H](C[C@@H]1CN1CCOCC1)[*:1]
CC(C)(C)[C@@H]1CCC(=O)[C@@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] CC(C)(C)[C@@H]1CCC(=O)[C@H](C1)C[*:1]
C=CCO[C@H](C)C(=O)Nc1ccc(F)cc1Br C=CCO[*:1] C[C@H](C(=O)Nc1ccc(F)cc1Br)[*:1]
C=CCO[C@H](C)C(=O)Nc1ccc(F)cc1Br C=CC[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(F)cc1Br
O=C(CN1CCN(Cc2ccc(F)c(F)c2)CC1)c1cccs1 O=C(c1cccs1)[*:1] Fc1ccc(cc1F)CN1CCN(CC1)C[*:1]
O=C(CN1CCN(Cc2ccc(F)c(F)c2)CC1)c1cccs1 c1csc(c1)[*:1] O=C(CN1CCN(CC1)Cc1ccc(F)c(F)c1)[*:1]
CC[C@H](Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 NS(=O)(=O)[*:1] CC[C@H](Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
COC(=O)[C@]1(NC2CC2)CC[C@H](Sc2ncc(C)cn2)C1 C1CC1[*:1] COC(=O)[C@@]1(CC[C@@H](C1)Sc1ncc(C)cn1)N[*:1]
COC(=O)[C@]1(NC2CC2)CC[C@H](Sc2ncc(C)cn2)C1 Cc1cnc(nc1)[*:1] COC(=O)[C@@]1(CC[C@@H](C1)S[*:1])NC1CC1
COC(=O)[C@]1(NC2CC2)CC[C@H](Sc2ncc(C)cn2)C1 C1CC1N[*:1] COC(=O)[C@@]1(CC[C@@H](C1)Sc1ncc(C)cn1)[*:1]
COC(=O)[C@]1(NC2CC2)CC[C@H](Sc2ncc(C)cn2)C1 COC(=O)[*:1] Cc1cnc(nc1)S[C@H]1CC[C@](C1)(NC1CC1)[*:1]
COc1ccccc1Nc1nn(CN(C)OC)c(=S)s1 CON(C)[*:1] COc1ccccc1Nc1nn(C[*:1])c(=S)s1
COc1ccccc1Nc1nn(CN(C)OC)c(=S)s1 CON(C)C[*:1] COc1ccccc1Nc1nn(c(=S)s1)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)/N=C(\[O-])c2cc(C3CC3)n(C(C)(C)C)n2)c1C CC(C)(C)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)/N=C(\[O-])c1cc(C2CC2)n(n1)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)/N=C(\[O-])c2cc(C3CC3)n(C(C)(C)C)n2)c1C C1CC1[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)/N=C(\[O-])c1cc(n(n1)C(C)(C)C)[*:1]
CC(C)(O)C#Cc1ccc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)s1 c1ccc2sc(nc2c1)[*:1] CC(C)(O)C#Cc1ccc(C[NH2+][C@H]2CCCN(C2)[*:1])s1
CC(C)(O)C#Cc1ccc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)s1 CC(C)(O)[*:1] C(#C[*:1])c1ccc(C[NH2+][C@H]2CCCN(C2)c2nc3ccccc3s2)s1
CC(C)(O)C#Cc1ccc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)s1 CC(C)(O)C#C[*:1] c1ccc2sc(nc2c1)N1CCC[C@@H](C1)[NH2+]Cc1ccc(s1)[*:1]
C/[NH+]=C(/NCc1noc(C(C)(C)C)n1)N[C@@H](C)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C/[NH+]=C(/NCc1noc(n1)C(C)(C)C)N[C@@H](C)[*:1]
C/[NH+]=C(/NCc1noc(C(C)(C)C)n1)N[C@@H](C)c1ccc(F)cc1F CC(C)(C)[*:1] C/[NH+]=C(/NCc1noc(n1)[*:1])N[C@@H](C)c1ccc(F)cc1F
Cc1nnsc1C(=O)Nc1nnc(-c2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] Cc1nnsc1C(=O)Nc1nnc(o1)[*:1]
Cc1nnsc1C(=O)Nc1nnc(-c2ccc(Br)cc2)o1 Cc1nnsc1[*:1] O=C(Nc1nnc(o1)-c1ccc(Br)cc1)[*:1]
O=C([O-])[C@H]1CCCCN1C(=O)CSCc1ccccc1 O=C([O-])[*:1] O=C(CSCc1ccccc1)N1CCCC[C@@H]1[*:1]
O=C([O-])[C@H]1CCCCN1C(=O)CSCc1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H]1CCCCN1C(=O)CSC[*:1]
O=C(C1CCCCC1)N1CCN(Cn2cc(Br)cn2)CC1 C1CCC(CC1)[*:1] O=C(N1CCN(CC1)Cn1cc(Br)cn1)[*:1]
O=C(C1CCCCC1)N1CCN(Cn2cc(Br)cn2)CC1 Brc1cnn(c1)[*:1] O=C(C1CCCCC1)N1CCN(CC1)C[*:1]
O=C(C1CCCCC1)N1CCN(Cn2cc(Br)cn2)CC1 Brc1cnn(c1)C[*:1] O=C(C1CCCCC1)N1CCN(CC1)[*:1]
Cc1ccccc1COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nnnn32)cc1 Cc1ccccc1[*:1] O=C1CCCC2Nc3nnnn3[C@@H](C=21)c1ccc(cc1)OC[*:1]
Cc1ccccc1COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nnnn32)cc1 Cc1ccccc1CO[*:1] O=C1CCCC2Nc3nnnn3[C@@H](C=21)c1ccc(cc1)[*:1]
Cc1ccccc1COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nnnn32)cc1 Cc1ccccc1C[*:1] O=C1CCCC2Nc3nnnn3[C@@H](C=21)c1ccc(cc1)O[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)ccc21 c1ccc(cc1)[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)NN1C(=O)N[C@](C)(C1=O)[*:1]
COc1cc(OC)cc([C@@H](NC(=O)N(C)C2CCCCC2)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cc(cc(c1)[C@@H](NC(=O)N(C)C1CCCCC1)[*:1])OC
COc1cc(OC)cc([C@@H](NC(=O)N(C)C2CCCCC2)c2nccn2C)c1 C1CCC(CC1)[*:1] COc1cc(cc(c1)[C@@H](NC(=O)N(C)[*:1])c1nccn1C)OC
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1cccc(c1)[*:1]
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CN(C(=O)[*:1])c1cccc(c1)C(F)(F)F
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CN(C(=O)C(F)(F)F)[*:1]
CCNc1ncc(COc2cccc3ccccc23)s1 CCN[*:1] c1ccc2c(cccc2c1)OCc1cnc(s1)[*:1]
Cc1noc(C)c1CCCNC(=O)c1c(C)nn(Cc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1noc(C)c1CCCNC(=O)c1c(C)nn(C[*:1])c1C
Cc1noc(C)c1CCCNC(=O)c1c(C)nn(Cc2ccccc2)c1C Cc1noc(C)c1[*:1] Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCC[*:1]
Cc1noc(C)c1CCCNC(=O)c1c(C)nn(Cc2ccccc2)c1C Cc1noc(C)c1C[*:1] Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCC[*:1]
Cc1noc(C)c1CCCNC(=O)c1c(C)nn(Cc2ccccc2)c1C Cc1noc(C)c1CC[*:1] Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[*:1]
Cc1noc(C)c1CCCNC(=O)c1c(C)nn(Cc2ccccc2)c1C c1ccc(cc1)C[*:1] Cc1noc(C)c1CCCNC(=O)c1c(C)nn(c1C)[*:1]
C/C(=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=C1SC(=O)N(C1=O)c1ccc(Cl)cc1)[*:1]
C/C(=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1 Clc1ccc(cc1)[*:1] C/C(=C1/SC(=O)N(C1=O)[*:1])c1ccc(Br)cc1
CO[C@H]1CCCC[C@H]1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C CO[C@H]1CCCC[C@@H]1[*:1] C[NH+](C)[C@H](CNC(=O)N[*:1])c1cccc(F)c1
CO[C@H]1CCCC[C@H]1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C Fc1cccc(c1)[*:1] CO[C@H]1CCCC[C@H]1NC(=O)NC[C@H]([NH+](C)C)[*:1]
COC1CC[NH+](Cn2nc(-c3ccc(C)cc3)n(C)c2=S)CC1 Cc1ccc(cc1)[*:1] COC1CC[NH+](CC1)Cn1nc(n(C)c1=S)[*:1]
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H](OCC2CCCCC2)C1 C1CCC(CC1)[*:1] C[NH2+][C@@]1(CCC[C@H](C1)OC[*:1])C(=O)[O-]
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H](OCC2CCCCC2)C1 O=C([O-])[*:1] C[NH2+][C@@]1(CCC[C@H](C1)OCC1CCCCC1)[*:1]
Cc1nnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)s1 FC(F)(F)[*:1] Cc1nnc(SCC(=O)c2cc(C)n(C[*:1])c2C)s1
Cc1nnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)s1 Cc1nnc(s1)[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1CC(F)(F)F
Cc1nnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)s1 FC(F)(F)C[*:1] Cc1nnc(SCC(=O)c2cc(C)n(c2C)[*:1])s1
Cc1nnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)s1 Cc1nnc(S[*:1])s1 Cc1cc(C(=O)C[*:1])c(C)n1CC(F)(F)F
CC(C)CN(CCC#N)C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] CC(C)CN(CCC#N)C(=O)NC[C@@H]1CC[C@H](O1)[*:1]
CC(C)CN(CCC#N)C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 CC(C)C[*:1] N#CCCN(C(=O)NC[C@@H]1CC[C@@H](O1)C(=O)[O-])[*:1]
CC(C)CN(CCC#N)C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 N#CCC[*:1] CC(C)CN(C(=O)NC[C@@H]1CC[C@@H](O1)C(=O)[O-])[*:1]
CC(C)CN(CCC#N)C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 N#CC[*:1] CC(C)CN(C[*:1])C(=O)NC[C@@H]1CC[C@@H](O1)C(=O)[O-]
CC(C)CN(CCC#N)C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 CC(C)[*:1] N#CCCN(C[*:1])C(=O)NC[C@@H]1CC[C@@H](O1)C(=O)[O-]
Cc1cc(CN2CCN3C(=O)NC[C@@H]3C2)cc(C)c1OC(F)F FC(F)O[*:1] Cc1cc(cc(C)c1[*:1])CN1CCN2C(=O)NC[C@@H]2C1
Cc1cc(CN2CCN3C(=O)NC[C@@H]3C2)cc(C)c1OC(F)F FC(F)[*:1] Cc1cc(cc(C)c1O[*:1])CN1CCN2C(=O)NC[C@@H]2C1
CCNC(=O)c1cccc(NC(=O)NCCCSC)c1 CSC[*:1] CCNC(=O)c1cccc(c1)NC(=O)NCC[*:1]
CCNC(=O)c1cccc(NC(=O)NCCCSC)c1 CCNC(=O)[*:1] CSCCCNC(=O)Nc1cccc(c1)[*:1]
CCNC(=O)c1cccc(NC(=O)NCCCSC)c1 CSCC[*:1] CCNC(=O)c1cccc(c1)NC(=O)NC[*:1]
CCNC(=O)c1cccc(NC(=O)NCCCSC)c1 CSCCC[*:1] CCNC(=O)c1cccc(c1)NC(=O)N[*:1]
Cn1c(-c2cccc3ccccc23)nn(CN2CCOCC2)c1=S C1CN(CCO1)C[*:1] Cn1c(nn(c1=S)[*:1])-c1cccc2ccccc12
Cn1c(-c2cccc3ccccc23)nn(CN2CCOCC2)c1=S C1CN(CCO1)[*:1] Cn1c(nn(C[*:1])c1=S)-c1cccc2ccccc12
N#CCCN(Cc1ccccc1)C(=S)NC(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] N#CCCN(Cc1ccccc1)C(=S)NC(=O)[*:1]
N#CCCN(Cc1ccccc1)C(=S)NC(=O)c1cccc(Cl)c1 N#CCC[*:1] O=C(NC(=S)N(Cc1ccccc1)[*:1])c1cccc(Cl)c1
N#CCCN(Cc1ccccc1)C(=S)NC(=O)c1cccc(Cl)c1 c1ccc(cc1)[*:1] N#CCCN(C[*:1])C(=S)NC(=O)c1cccc(Cl)c1
N#CCCN(Cc1ccccc1)C(=S)NC(=O)c1cccc(Cl)c1 N#CC[*:1] O=C(NC(=S)N(Cc1ccccc1)C[*:1])c1cccc(Cl)c1
N#CCCN(Cc1ccccc1)C(=S)NC(=O)c1cccc(Cl)c1 c1ccc(cc1)C[*:1] N#CCCN(C(=S)NC(=O)c1cccc(Cl)c1)[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(CC)s1 CCCS(=O)(=O)[*:1] CCc1nnc(NC(=O)c2ccccc2[*:1])s1
CCCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(CC)s1 CCc1nnc(s1)[*:1] CCCS(=O)(=O)c1ccccc1C(=O)N[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(CC)s1 CCC[*:1] CCc1nnc(NC(=O)c2ccccc2S(=O)(=O)[*:1])s1
CNC(=O)[C@H](C)CN(C)Cc1cc(=O)n2cccc(C)c2[nH+]1 CNC(=O)[*:1] Cc1cccn2c(=O)cc(CN(C)C[C@@H](C)[*:1])[nH+]c12
CNC(=O)[C@H](C)CN(C)Cc1cc(=O)n2cccc(C)c2[nH+]1 CNC(=O)[C@H](C)C[*:1] Cc1cccn2c(=O)cc(CN(C)[*:1])[nH+]c12
CNC(=O)[C@H](C)CN(C)Cc1cc(=O)n2cccc(C)c2[nH+]1 CNC(=O)[C@H](C)[*:1] Cc1cccn2c(=O)cc(CN(C)C[*:1])[nH+]c12
COCCNC(=O)/C(C#N)=C/c1cccc(O)c1 COC[*:1] N#C/C(=C\c1cccc(O)c1)C(=O)NC[*:1]
COCCNC(=O)/C(C#N)=C/c1cccc(O)c1 COCC[*:1] N#C/C(=C\c1cccc(O)c1)C(=O)N[*:1]
CC(=O)N[C@H](C)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 CC(=O)N[C@H](C)[*:1] O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)[*:1]
CC(=O)N[C@H](C)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 c1nnc(S[*:1])s1 CC(=O)N[C@H](C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(=O)N[C@H](C)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 c1nnc(s1)[*:1] CC(=O)N[C@H](C)C(=O)Nc1ccc(S[*:1])c(Cl)c1
CC(=O)N[C@H](C)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 CC(=O)N[*:1] C[C@H](C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1)[*:1]
COC(=O)CCCc1nnc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)s1 COC(=O)C[*:1] O=C(Nc1nnc(CC[*:1])s1)N1CCC[C@@H]2CCC[C@@H]21
COC(=O)CCCc1nnc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)s1 COC(=O)CCC[*:1] O=C(Nc1nnc(s1)[*:1])N1CCC[C@@H]2CCC[C@@H]21
COC(=O)CCCc1nnc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)s1 COC(=O)CC[*:1] O=C(Nc1nnc(C[*:1])s1)N1CCC[C@@H]2CCC[C@@H]21
COC(=O)CCCc1nnc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)s1 COC(=O)[*:1] O=C(Nc1nnc(CCC[*:1])s1)N1CCC[C@@H]2CCC[C@@H]21
O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)c1ccc([N+](=O)[O-])cc1 C1CCC(C1)[*:1] O=C(N[C@H]1CCCC[C@H]1O[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)c1ccc([N+](=O)[O-])cc1 C1CCC(C1)O[*:1] O=C(N[C@H]1CCCC[C@@H]1[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)c1ccc(cc1)[*:1]
O=C(CCOc1ccccc1)NNC(=O)CC1(O)CCCC1 c1ccc(cc1)O[*:1] O=C(CC[*:1])NNC(=O)CC1(O)CCCC1
O=C(CCOc1ccccc1)NNC(=O)CC1(O)CCCC1 OC1(CCCC1)C[*:1] O=C(CCOc1ccccc1)NNC(=O)[*:1]
O=C(CCOc1ccccc1)NNC(=O)CC1(O)CCCC1 OC1(CCCC1)[*:1] O=C(CCOc1ccccc1)NNC(=O)C[*:1]
O=C(CCOc1ccccc1)NNC(=O)CC1(O)CCCC1 c1ccc(cc1)[*:1] O=C(CCO[*:1])NNC(=O)CC1(O)CCCC1
C=CCN(CC(=O)[O-])C(=O)[C@@H](C[NH3+])C(C)C CC(C)[*:1] C=CCN(CC(=O)[O-])C(=O)[C@@H](C[NH3+])[*:1]
C=CCN(CC(=O)[O-])C(=O)[C@@H](C[NH3+])C(C)C O=C([O-])C[*:1] C=CCN(C(=O)[C@@H](C[NH3+])C(C)C)[*:1]
C=CCN(CC(=O)[O-])C(=O)[C@@H](C[NH3+])C(C)C C=CC[*:1] CC(C)[C@H](C[NH3+])C(=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])C(=O)[C@@H](C[NH3+])C(C)C O=C([O-])[*:1] C=CCN(C[*:1])C(=O)[C@@H](C[NH3+])C(C)C
O=C(CCn1ccccc1=O)NCC1(c2ccccc2)CC1 O=c1ccccn1[*:1] O=C(CC[*:1])NCC1(CC1)c1ccccc1
O=C(CCn1ccccc1=O)NCC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCn1ccccc1=O)NCC1(CC1)[*:1]
COc1cc(C)c([C@@H](C)NC(=O)CSC2CCCC2)cc1OC C1CCC(C1)[*:1] COc1cc(C)c(cc1OC)[C@@H](C)NC(=O)CS[*:1]
COc1cc(C)c([C@@H](C)NC(=O)CSC2CCCC2)cc1OC C1CCC(C1)S[*:1] COc1cc(C)c(cc1OC)[C@@H](C)NC(=O)C[*:1]
COc1cc(C)c([C@@H](C)NC(=O)CSC2CCCC2)cc1OC C1CCC(C1)SC[*:1] COc1cc(C)c(cc1OC)[C@@H](C)NC(=O)[*:1]
C=CCNC(=O)Nc1ccc(F)c(NC(=O)OC)c1 COC(=O)N[*:1] C=CCNC(=O)Nc1ccc(F)c(c1)[*:1]
C=CCNC(=O)Nc1ccc(F)c(NC(=O)OC)c1 C=CC[*:1] COC(=O)Nc1cc(ccc1F)NC(=O)N[*:1]
Oc1ccccc1/C=[NH+]/CCC/[NH+]=C/c1ccccc1O Oc1ccccc1[*:1] Oc1ccccc1/C=[NH+]/CCC[NH+]=C[*:1]
Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1C Cn1cccc1C[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccc2OCCOc2c1
Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1C Cn1cccc1[*:1] Cn1c(C[*:1])nnc1SCC(=O)Nc1ccc2OCCOc2c1
C[C@@H](C#N)CNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 C[C@@H](C#N)CNC(=O)[*:1] FC(F)(F)c1cccc(c1)Oc1cccc(c1)[*:1]
C[C@@H](C#N)CNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] C[C@@H](C#N)CNC(=O)c1cccc(c1)Oc1cccc(c1)[*:1]
Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc([S@@](C)=O)cc1 c1ccc(cc1)[*:1] Cc1oc(nc1CCNC(=O)c1ccc(cc1)[S@@](C)=O)[*:1]
CCc1cccc(CC)c1NC(=O)NC1CC1 C1CC1[*:1] CCc1cccc(CC)c1NC(=O)N[*:1]
CC[NH+]1CCN(C2(CNC(=O)c3ccccc3Br)CCCCC2)CC1 Brc1ccccc1[*:1] CC[NH+]1CCN(CC1)C1(CCCCC1)CNC(=O)[*:1]
CCCCn1nc(C)c(C[NH2+]C[C@@H](C)O)c1Cl CCC[*:1] Cc1nn(C[*:1])c(Cl)c1C[NH2+]C[C@@H](C)O
CCCCn1nc(C)c(C[NH2+]C[C@@H](C)O)c1Cl CCCC[*:1] Cc1nn(c(Cl)c1C[NH2+]C[C@@H](C)O)[*:1]
C/C=C/C=C/C(=O)N1C[C@@H](C(=O)OC)[C@@H](C)C1 CC=C[*:1] COC(=O)[C@@H]1CN(C[C@@H]1C)C(=O)C=C[*:1]
C/C=C/C=C/C(=O)N1C[C@@H](C(=O)OC)[C@@H](C)C1 COC(=O)[*:1] C/C=C/C=C/C(=O)N1C[C@@H]([C@@H](C)C1)[*:1]
C/C=C/C=C/C(=O)N1C[C@@H](C(=O)OC)[C@@H](C)C1 C/C=C/C=C[*:1] COC(=O)[C@@H]1CN(C[C@@H]1C)C(=O)[*:1]
COC(=O)c1cc(CSc2nnc(-c3cccnc3)n2-c2ccccc2F)oc1C c1cncc(c1)[*:1] COC(=O)c1cc(CSc2nnc(n2-c2ccccc2F)[*:1])oc1C
COC(=O)c1cc(CSc2nnc(-c3cccnc3)n2-c2ccccc2F)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CSc1nnc(-c2cccnc2)n1-c1ccccc1F
COC(=O)c1cc(CSc2nnc(-c3cccnc3)n2-c2ccccc2F)oc1C Fc1ccccc1[*:1] COC(=O)c1cc(CSc2nnc(-c3cccnc3)n2[*:1])oc1C
COC(=O)c1cc(CSc2nnc(-c3cccnc3)n2-c2ccccc2F)oc1C COC(=O)c1cc(oc1C)[*:1] Fc1ccccc1-n1c(nnc1-c1cccnc1)SC[*:1]
CCOc1ccc2cc(C(=O)NCc3ccccc3)c(=[NH2+])oc2c1 c1ccc(cc1)[*:1] CCOc1ccc2cc(C(=O)NC[*:1])c(=[NH2+])oc2c1
CCOc1ccc2cc(C(=O)NCc3ccccc3)c(=[NH2+])oc2c1 CCO[*:1] [NH2+]=c1oc2cc(ccc2cc1C(=O)NCc1ccccc1)[*:1]
CCOc1ccc2cc(C(=O)NCc3ccccc3)c(=[NH2+])oc2c1 c1ccc(cc1)C[*:1] CCOc1ccc2cc(C(=O)N[*:1])c(=[NH2+])oc2c1
O=S(=O)(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=S(=O)(NC[C@H](O)c1ccc(cc1)C(F)(F)F)[*:1]
O=S(=O)(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F FC(F)(F)[*:1] O=S(=O)(NC[C@H](O)c1ccc(cc1)[*:1])c1cc(F)ccc1F
O=C(CSc1ccc2c(c1)OCCCO2)NC(=O)c1cccs1 c1csc(c1)[*:1] O=C(CSc1ccc2OCCCOc2c1)NC(=O)[*:1]
C[NH+](C)CCSc1ccc(NC(=O)C2CC2)nn1 C1CC1[*:1] C[NH+](C)CCSc1ccc(nn1)NC(=O)[*:1]
C[NH+](C)CCSc1ccc(NC(=O)C2CC2)nn1 O=C(N[*:1])C1CC1 C[NH+](C)CCSc1ccc(nn1)[*:1]
Cc1ccc(C)c(NC(=S)NCCc2cccs2)c1 c1csc(c1)C[*:1] Cc1ccc(C)c(c1)NC(=S)NC[*:1]
Cc1ccc(C)c(NC(=S)NCCc2cccs2)c1 c1csc(c1)[*:1] Cc1ccc(C)c(c1)NC(=S)NCC[*:1]
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(CC#N)cc3)n2N)cc1 Cc1ccc(cc1)[*:1] N#CCc1ccc(cc1)NC(=O)CSc1nnc(n1N)[*:1]
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(CC#N)cc3)n2N)cc1 N#CCc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N[*:1])n1N
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(CC#N)cc3)n2N)cc1 N#CC[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccc(cc2)[*:1])n1N
CCN(CC)C(=O)c1ccccc1OC(C)=O CC(=O)O[*:1] CCN(CC)C(=O)c1ccccc1[*:1]
Cc1ccc(-c2nc(-c3ccc(OCC(F)(F)F)nc3)no2)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)-c1nc(no1)-c1ccc(nc1)O[*:1]
Cc1ccc(-c2nc(-c3ccc(OCC(F)(F)F)nc3)no2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1nc(no1)-c1ccc(nc1)OC[*:1]
Cc1ccc(-c2nc(-c3ccc(OCC(F)(F)F)nc3)no2)cc1 FC(F)(F)CO[*:1] Cc1ccc(cc1)-c1nc(no1)-c1ccc(nc1)[*:1]
Cc1ccc(-c2nc(-c3ccc(OCC(F)(F)F)nc3)no2)cc1 Cc1ccc(cc1)[*:1] FC(F)(F)COc1ccc(cn1)-c1noc(n1)[*:1]
COc1ccc([C@@H](CNc2nc3ccccc3o2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H](CNc1nc2ccccc2o1)[*:1]
COc1ccc([C@@H](CNc2nc3ccccc3o2)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] c1ccc2oc(nc2c1)NC[C@@H](N1CCOCC1)[*:1]
CNC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(C)cc(C)c1 CNC(=O)[*:1] Cc1cc(C)cc(c1)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1[*:1]
CCN[C@H](c1cccnc1)C1([NH+]2CCCCC2)CCCC1 c1cncc(c1)[*:1] CCN[C@H](C1(CCCC1)[NH+]1CCCCC1)[*:1]
CCN[C@H](c1cccnc1)C1([NH+]2CCCCC2)CCCC1 CCN[*:1] c1cncc(c1)[C@H](C1(CCCC1)[NH+]1CCCCC1)[*:1]
Cn1ncc2c(NCc3ccco3)nc(CCc3ccccc3)nc21 c1ccc(cc1)CC[*:1] Cn1ncc2c(nc(nc21)[*:1])NCc1ccco1
Cn1ncc2c(NCc3ccco3)nc(CCc3ccccc3)nc21 c1coc(c1)[*:1] Cn1ncc2c(nc(CCc3ccccc3)nc21)NC[*:1]
Cn1ncc2c(NCc3ccco3)nc(CCc3ccccc3)nc21 c1ccc(cc1)C[*:1] Cn1ncc2c(nc(C[*:1])nc21)NCc1ccco1
Cn1ncc2c(NCc3ccco3)nc(CCc3ccccc3)nc21 c1ccc(cc1)[*:1] Cn1ncc2c(nc(CC[*:1])nc21)NCc1ccco1
Cn1ncc2c(NCc3ccco3)nc(CCc3ccccc3)nc21 c1coc(c1)C[*:1] Cn1ncc2c(nc(CCc3ccccc3)nc21)N[*:1]
Cn1ncc2c(NCc3ccco3)nc(CCc3ccccc3)nc21 c1coc(c1)CN[*:1] Cn1ncc2c(nc(CCc3ccccc3)nc21)[*:1]
CCc1nn(C)cc1CNC(=O)C1(CC)CCC1 CCC1(CCC1)[*:1] CCc1nn(C)cc1CNC(=O)[*:1]
COc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl O=C([O-])[*:1] COc1ccc(cc1Cl)N1/C(=N/C(=O)CCC[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
COc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl COc1ccc(cc1Cl)[*:1] O=C([O-])CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
COc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl O=C([O-])CCC[*:1] COc1ccc(cc1Cl)N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
COc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl O=C([O-])CC[*:1] COc1ccc(cc1Cl)N1/C(=N/C(=O)C[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
COc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl O=C([O-])C[*:1] COc1ccc(cc1Cl)N1/C(=N/C(=O)CC[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
CC(=O)C1=C([O-])C(=O)N(CCC2=c3ccccc3=[NH+][C@H]2C)[C@H]1c1ccccc1F CC(=O)[*:1] C[C@@H]1[NH+]=c2ccccc2=C1CCN1C(=O)C([O-])=C([C@@H]1c1ccccc1F)[*:1]
CC(=O)C1=C([O-])C(=O)N(CCC2=c3ccccc3=[NH+][C@H]2C)[C@H]1c1ccccc1F Fc1ccccc1[*:1] CC(=O)C1=C([O-])C(=O)N(CCC2=c3ccccc3=[NH+][C@H]2C)[C@@H]1[*:1]
COc1cc(C)c(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)cc1OC c1ccc(cc1)[*:1] COc1cc(C)c(cc1OC)C(=O)N[C@H]1C[C@H](C)N(C1)[*:1]
Cc1ccc([C@H]2C[C@@H]2NC(=O)N2CCC(C(N)=O)CC2)cc1C NC(=O)[*:1] Cc1ccc(cc1C)[C@H]1C[C@@H]1NC(=O)N1CCC(CC1)[*:1]
CC(C)Oc1ccc(-c2nc(C(=O)O[C@@H](C)[C@@H]3CCOC3)cs2)cc1 CC(C)O[*:1] C[C@H](OC(=O)c1csc(n1)-c1ccc(cc1)[*:1])[C@@H]1CCOC1
CC(C)Oc1ccc(-c2nc(C(=O)O[C@@H](C)[C@@H]3CCOC3)cs2)cc1 CC(C)[*:1] C[C@H](OC(=O)c1csc(n1)-c1ccc(cc1)O[*:1])[C@@H]1CCOC1
CN(C[C@@H]1CCCN(C(=O)NCCc2ccc(F)cc2)C1)C(=O)OC(C)(C)C Fc1ccc(cc1)[*:1] CN(C[C@@H]1CCCN(C1)C(=O)NCC[*:1])C(=O)OC(C)(C)C
CN(C[C@@H]1CCCN(C(=O)NCCc2ccc(F)cc2)C1)C(=O)OC(C)(C)C Fc1ccc(cc1)C[*:1] CN(C[C@@H]1CCCN(C1)C(=O)NC[*:1])C(=O)OC(C)(C)C
CN(C[C@@H]1CCCN(C(=O)NCCc2ccc(F)cc2)C1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(C[C@@H]1CCCN(C1)C(=O)NCCc1ccc(F)cc1)C(=O)O[*:1]
CN(C[C@@H]1CCCN(C(=O)NCCc2ccc(F)cc2)C1)C(=O)OC(C)(C)C Fc1ccc(cc1)CC[*:1] CN(C[C@@H]1CCCN(C1)C(=O)N[*:1])C(=O)OC(C)(C)C
CN(C[C@@H]1CCCN(C(=O)NCCc2ccc(F)cc2)C1)C(=O)OC(C)(C)C CN(C(=O)OC(C)(C)C)[*:1] O=C(NCCc1ccc(F)cc1)N1CCC[C@H](C1)C[*:1]
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(CC1)S(=O)(=O)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 COc1cc(Cl)c(C)cc1[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@H]1C[C@H]1C Clc1ccc(s1)[*:1] Cc1nc(sc1C(=O)N[C@H]1C[C@H]1C)[*:1]
Cc1ccc(-n2ccnc2SCC(=O)N(CC(N)=O)C(C)C)cc1C NC(=O)[*:1] Cc1ccc(cc1C)-n1ccnc1SCC(=O)N(C[*:1])C(C)C
Cc1ccc(-n2ccnc2SCC(=O)N(CC(N)=O)C(C)C)cc1C NC(=O)C[*:1] Cc1ccc(cc1C)-n1ccnc1SCC(=O)N(C(C)C)[*:1]
Cc1ccc(-n2ccnc2SCC(=O)N(CC(N)=O)C(C)C)cc1C CC(C)[*:1] Cc1ccc(cc1C)-n1ccnc1SCC(=O)N(CC(N)=O)[*:1]
Cc1ccc(-n2ccnc2SCC(=O)N(CC(N)=O)C(C)C)cc1C Cc1ccc(cc1C)[*:1] CC(C)N(CC(N)=O)C(=O)CSc1nccn1[*:1]
CC1=C(C(=O)OC(C)C)[C@H](C)N=C1C(=O)Nc1ncc(C)s1 Cc1cnc(s1)[*:1] CC1C(=N[C@@H](C)C=1C(=O)OC(C)C)C(=O)N[*:1]
CC1=C(C(=O)OC(C)C)[C@H](C)N=C1C(=O)Nc1ncc(C)s1 CC(C)OC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)Nc1ncc(C)s1
CC1=C(C(=O)OC(C)C)[C@H](C)N=C1C(=O)Nc1ncc(C)s1 CC(C)[*:1] CC1C(=N[C@@H](C)C=1C(=O)O[*:1])C(=O)Nc1ncc(C)s1
COC(=O)c1cccc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1 Fc1ccc(cc1)[*:1] COC(=O)c1cccc(c1)C(=O)N1C[C@@H](C[C@H]1C)[*:1]
COC(=O)c1cccc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1 COC(=O)[*:1] C[C@@H]1C[C@@H](CN1C(=O)c1cccc(c1)[*:1])c1ccc(F)cc1
O=C(NCCCn1ncccc1=O)[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCCn1ncccc1=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCCn1ncccc1=O)[C@@H]1CC(=O)N(c2ccccc2)C1 O=c1cccnn1[*:1] O=C(NCCC[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
O=C(NCCCn1ncccc1=O)[C@@H]1CC(=O)N(c2ccccc2)C1 O=c1cccnn1C[*:1] O=C(NCC[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
Cc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c1C CC(C)(C)[*:1] Cc1cccc(c1C)[C@@H](C)[NH2+]CCS(=O)(=O)[*:1]
Cc1ccc(-c2cnc(CCC(=O)NCC(C)(C)c3ccncc3)o2)cc1 Cc1ccc(cc1)[*:1] CC(C)(CNC(=O)CCc1ncc(o1)[*:1])c1ccncc1
Cc1ccc(-c2cnc(CCC(=O)NCC(C)(C)c3ccncc3)o2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)-c1cnc(CCC(=O)NCC(C)(C)[*:1])o1
Cc1ccc(-c2cnc(CCC(=O)NCC(C)(C)c3ccncc3)o2)cc1 CC(C)(c1ccncc1)[*:1] Cc1ccc(cc1)-c1cnc(CCC(=O)NC[*:1])o1
Cc1cc(NN)c2cccc(OC(F)(F)F)c2[nH+]1 FC(F)(F)[*:1] Cc1cc(NN)c2cccc(O[*:1])c2[nH+]1
Cc1cc(NN)c2cccc(OC(F)(F)F)c2[nH+]1 FC(F)(F)O[*:1] Cc1cc(NN)c2cccc(c2[nH+]1)[*:1]
C[C@H]1CCC[C@@H](C(=O)Nc2cccc(OCCc3ccccc3)c2)[NH2+]1 c1ccc(cc1)C[*:1] C[C@H]1CCC[C@H]([NH2+]1)C(=O)Nc1cccc(c1)OC[*:1]
C[C@H]1CCC[C@@H](C(=O)Nc2cccc(OCCc3ccccc3)c2)[NH2+]1 c1ccc(cc1)CC[*:1] C[C@H]1CCC[C@H]([NH2+]1)C(=O)Nc1cccc(c1)O[*:1]
C[C@H]1CCC[C@@H](C(=O)Nc2cccc(OCCc3ccccc3)c2)[NH2+]1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H]([NH2+]1)C(=O)Nc1cccc(c1)OCC[*:1]
Cn1ncnc1CCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 Cn1ncnc1[*:1] O=C(NCC[*:1])[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1
Cn1ncnc1CCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 Cn1ncnc1C[*:1] O=C(NC[*:1])[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1
CC[C@H](Sc1nnc2cc(C)c3cc(C)cc(C)c3n12)C(=O)Nc1nnc(COC)s1 COC[*:1] CC[C@H](Sc1nnc2cc(C)c3cc(C)cc(C)c3n12)C(=O)Nc1nnc(s1)[*:1]
CC[C@H](Sc1nnc2cc(C)c3cc(C)cc(C)c3n12)C(=O)Nc1nnc(COC)s1 COCc1nnc(s1)[*:1] CC[C@H](Sc1nnc2cc(C)c3cc(C)cc(C)c3n12)C(=O)N[*:1]
CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(C4CC4)o3)CC2)cc1 C1CC1[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nnc(o1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(C4CC4)o3)CC2)cc1 C1CC1c1nnc(o1)[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(C4CC4)o3)CC2)cc1 CCO[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC(CC1)c1nnc(o1)C1CC1
Cc1cc2nc(C)c(CCC(=O)NC[C@@H](c3ccccc3)N3CCOCC3)c(C)n2n1 c1ccc(cc1)[*:1] Cc1cc2nc(C)c(CCC(=O)NC[C@@H](N3CCOCC3)[*:1])c(C)n2n1
Cc1cc2nc(C)c(CCC(=O)NC[C@@H](c3ccccc3)N3CCOCC3)c(C)n2n1 C1CN(CCO1)[*:1] Cc1cc2nc(C)c(CCC(=O)NC[C@@H](c3ccccc3)[*:1])c(C)n2n1
COc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1Cl Clc1ccc(cc1)[*:1] COc1ccc(cc1Cl)N1C(=O)CS[C@@H]1[*:1]
C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C(=O)C1=C([O-])[C@H](C[C@](C)(O)C(=O)[O-])NC1=O CC=C(C)[*:1] C[C@H]1C[C@@H](C)C[C@H]2C=C[C@H]([C@@H](C(=O)C3C(=O)N[C@@H](C[C@](C)(O)C(=O)[O-])C=3[O-])[C@@H]12)[*:1]
C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C(=O)C1=C([O-])[C@H](C[C@](C)(O)C(=O)[O-])NC1=O O=C([O-])[*:1] C/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C(=O)C1C(=O)N[C@@H](C[C@](C)(O)[*:1])C=1[O-]
CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2CC2CCCCC2)cc1 C1CCC(CC1)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)N1CCC[C@H]1C[*:1]
CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2CC2CCCCC2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[C@H]1CC1CCCCC1
CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2CC2CCCCC2)cc1 C1CCC(CC1)C[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)N1CCC[C@@H]1[*:1]
COc1ccc(S(=O)(=O)Nc2ccccc2-n2nc(C)cc2C)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccccc1-n1nc(C)cc1C
COc1ccc(S(=O)(=O)Nc2ccccc2-n2nc(C)cc2C)cc1NC(C)=O Cc1cc(C)n(n1)[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)Nc1ccccc1[*:1]
N#C/C(C(=O)NC1CCCC1)=C(/[O-])Cc1cnn(-c2ccccc2)c1 C1CCC(C1)[*:1] N#C/C(C(=O)N[*:1])=C(/[O-])Cc1cnn(c1)-c1ccccc1
N#C/C(C(=O)NC1CCCC1)=C(/[O-])Cc1cnn(-c2ccccc2)c1 O=C(NC1CCCC1)[*:1] N#CC(=C([O-])Cc1cnn(c1)-c1ccccc1)[*:1]
N#C/C(C(=O)NC1CCCC1)=C(/[O-])Cc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] N#C/C(C(=O)NC1CCCC1)=C(/[O-])Cc1cnn(c1)[*:1]
NC(=O)[C@H](Nc1cccc(Oc2ccccc2)c1)c1ccc(F)cc1 NC(=O)[*:1] Fc1ccc(cc1)[C@@H](Nc1cccc(c1)Oc1ccccc1)[*:1]
NC(=O)[C@H](Nc1cccc(Oc2ccccc2)c1)c1ccc(F)cc1 c1ccc(cc1)O[*:1] NC(=O)[C@H](Nc1cccc(c1)[*:1])c1ccc(F)cc1
NC(=O)[C@H](Nc1cccc(Oc2ccccc2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@H](Nc1cccc(c1)Oc1ccccc1)[*:1]
NC(=O)[C@H](Nc1cccc(Oc2ccccc2)c1)c1ccc(F)cc1 c1ccc(cc1)[*:1] NC(=O)[C@H](Nc1cccc(c1)O[*:1])c1ccc(F)cc1
CCN(C[C@@H]1CCOC1)C(=O)Nc1cc2c(cc1Cl)OCCO2 C1C[C@H](CO1)C[*:1] CCN(C(=O)Nc1cc2OCCOc2cc1Cl)[*:1]
CCCCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1 CCC[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nnc(C[*:1])s1
CCCCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1 CCCC[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1 Cc1ccc(cc1)[*:1] CCCCc1nnc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])s1
CCCCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1 CCCCc1nnc(s1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC[C@@H](NC(=O)c1ccc(Br)o1)C(=O)N1CCOCC1 Brc1ccc(o1)[*:1] CC[C@@H](NC(=O)[*:1])C(=O)N1CCOCC1
CC[C@]1(c2ccccc2)NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O Clc1ccc(c(Cl)c1)[*:1] CC[C@@]1(NC(=O)N(CCO[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CCOc2ccc(Cl)cc2Cl)C1=O)[*:1]
COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)on2)C3=O)c1 COc1ccc(OC)c(c1)[*:1] Cc1cc(no1)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)on2)C3=O)c1 Cc1cc(no1)[*:1] COc1ccc(OC)c(c1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
Cc1ccc(OCC(=O)NC(=S)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1)OCC(=O)NC(=S)NC[*:1]
Cc1ccc(OCC(=O)NC(=S)NC[C@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])NC(=S)NC[C@H]1CCCO1
Cc1ccc(OCC(=O)NC(=S)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] Cc1ccc(cc1)OCC(=O)NC(=S)N[*:1]
COC(=O)c1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@H](C)C4)c23)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1sc2ncnc(c2c1C(=O)N[*:1])N1CCC[C@H](C)C1
COC(=O)c1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@H](C)C4)c23)cc1 COC(=O)[*:1] Cc1sc2ncnc(c2c1C(=O)Nc1ccc(cc1)[*:1])N1CCC[C@H](C)C1
Cn1ncc2c1CC/C(=C\c1ccc(-n3cncn3)c(F)c1)C2=O c1ncn(n1)[*:1] Cn1ncc2C(=O)/C(=C/c3ccc(c(F)c3)[*:1])CCc21
O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1(O)CCOCC1 OC1(CCOCC1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])NC[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1(O)CCOCC1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])NCC1(O)CCOCC1
COC(=O)c1cc(NC(=O)[C@@H]2CCO[C@H]2C)ccc1C COC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H]1CCO[C@H]1C
COc1ccccc1[C@@H](C)NC(=O)c1cnc2c(C)cccn2c1=O COc1ccccc1[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N[C@H](C)[*:1]
CC[C@@H](C)NS(=O)(=O)c1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1OC CC[C@@H](C)NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])N1C(=O)[C@@H](C)CS1(=O)=O
CC[C@@H](C)NS(=O)(=O)c1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1OC CC[C@@H](C)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])N1C(=O)[C@@H](C)CS1(=O)=O
CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 CC(C)(C)[*:1] O=C(COc1ccc(cc1)S(=O)(=O)N[*:1])N1CCOCC1
CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] CC(C)(C)NS(=O)(=O)c1ccc(cc1)OC[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 CC(C)(C)NS(=O)(=O)[*:1] O=C(COc1ccc(cc1)[*:1])N1CCOCC1
COCCCNC(=O)[C@H]1CN(C(=O)c2cccs2)CC12CCCCC2 c1csc(c1)[*:1] COCCCNC(=O)[C@H]1CN(CC12CCCCC2)C(=O)[*:1]
COCCCNC(=O)[C@H]1CN(C(=O)c2cccs2)CC12CCCCC2 COCC[*:1] O=C(NC[*:1])[C@H]1CN(CC12CCCCC2)C(=O)c1cccs1
COCCCNC(=O)[C@H]1CN(C(=O)c2cccs2)CC12CCCCC2 COCCCNC(=O)[*:1] O=C(c1cccs1)N1C[C@@H](C2(CCCCC2)C1)[*:1]
COCCCNC(=O)[C@H]1CN(C(=O)c2cccs2)CC12CCCCC2 COC[*:1] O=C(NCC[*:1])[C@H]1CN(CC12CCCCC2)C(=O)c1cccs1
COCCCNC(=O)[C@H]1CN(C(=O)c2cccs2)CC12CCCCC2 COCCC[*:1] O=C(N[*:1])[C@H]1CN(CC12CCCCC2)C(=O)c1cccs1
Cc1nc(-n2cccc2)sc1C(=O)Nc1cccc(-c2cn3ccsc3n2)c1 c1ccn(c1)[*:1] Cc1nc(sc1C(=O)Nc1cccc(c1)-c1cn2ccsc2n1)[*:1]
Cc1nc(-n2cccc2)sc1C(=O)Nc1cccc(-c2cn3ccsc3n2)c1 c1cn2cc(nc2s1)[*:1] Cc1nc(sc1C(=O)Nc1cccc(c1)[*:1])-n1cccc1
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)c1ccco1 c1coc(c1)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)c1ccco1 CC[S@](=O)[*:1] O=C(NC[C@H](O)c1ccco1)N[C@H]1CCCC[C@@H]1[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)c1ccco1 O[C@H](c1ccco1)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[*:1]
Cc1ccccc1OCC(=O)O[C@@H](C)c1nccs1 c1csc(n1)[*:1] Cc1ccccc1OCC(=O)O[C@@H](C)[*:1]
C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 O=C(N1CCOCC1)[*:1] C[C@H]([NH+]1CCN(CC1)Cc1ccc2OCOc2c1)[*:1]
COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C)cc1C COC(=O)[*:1] Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2[*:1])c(C)c1
CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1 CC(C)NS(=O)(=O)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1Br
CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1 CC(C)[*:1] C[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1])c1ccccc1Br
CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1 Brc1ccccc1[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)C(=O)N[C@H](C)[*:1]
CC(C)OCCN1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)OCCN1CCN(CC1)C(=O)Nc1ccccc1[*:1]
CC(C)OCCN1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 CC(C)O[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCN(CC1)CC[*:1]
CC(C)OCCN1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 CC(C)OCC[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCN(CC1)[*:1]
CC(C)OCCN1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 CC(C)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCN(CCO[*:1])CC1
CC(C)OCCN1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 CC(C)OC[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCN(CC1)C[*:1]
CCn1cc(-c2nc(-c3cccc(Cl)c3)no2)c(=O)c2ccccc21 Clc1cccc(c1)[*:1] CCn1cc(-c2nc(no2)[*:1])c(=O)c2ccccc21
COC[C@@H](C)NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C COC[*:1] CC(C)n1nc(cc1NC(=O)C(=O)N[C@H](C)[*:1])-c1ccccc1
COC[C@@H](C)NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C c1ccc(cc1)[*:1] COC[C@@H](C)NC(=O)C(=O)Nc1cc(nn1C(C)C)[*:1]
COC[C@@H](C)NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C CC(C)[*:1] COC[C@@H](C)NC(=O)C(=O)Nc1cc(nn1[*:1])-c1ccccc1
C#CCOc1ccccc1CN1CCN(C2=[NH+]C[C@@H](C)S2)CC1 C#CCO[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)Cc1ccccc1[*:1]
C#CCOc1ccccc1CN1CCN(C2=[NH+]C[C@@H](C)S2)CC1 C#CC[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)Cc1ccccc1O[*:1]
COCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 COCCNC(=O)[*:1] O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]1[*:1]
COCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 COCC[*:1] O=C(N[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1
COCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 COC[*:1] O=C(NC[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1
COCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COCCNC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
COC(=O)[C@@]1(NC2CCCC2)CCCS[C@H]1C COC(=O)[*:1] C[C@@H]1SCCC[C@@]1(NC1CCCC1)[*:1]
COC(=O)[C@@]1(NC2CCCC2)CCCS[C@H]1C C1CCC(C1)[*:1] COC(=O)[C@]1(CCCS[C@H]1C)N[*:1]
CCC[NH2+][C@H](Cc1ccccc1)[C@@H]1CN(CC)CCO1 CCC[*:1] CCN1CCO[C@@H](C1)[C@@H](Cc1ccccc1)[NH2+][*:1]
CCC[NH2+][C@H](Cc1ccccc1)[C@@H]1CN(CC)CCO1 c1ccc(cc1)[*:1] CCC[NH2+][C@H](C[*:1])[C@@H]1CN(CC)CCO1
C=CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3C)n(C)c1=O C=CC[*:1] CC1=NN(C)c2nc3c(c(=O)n(c(=O)n3C)[*:1])n2[C@@H]1C
COCCn1ccc2ccc(NC(=O)NCCc3ccccn3)cc21 c1ccc(nc1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)NCC[*:1]
COCCn1ccc2ccc(NC(=O)NCCc3ccccn3)cc21 c1ccc(C[*:1])nc1 COCCn1ccc2ccc(cc21)NC(=O)NC[*:1]
COCCn1ccc2ccc(NC(=O)NCCc3ccccn3)cc21 COCC[*:1] O=C(NCCc1ccccn1)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)NCCc3ccccn3)cc21 c1ccc(CC[*:1])nc1 COCCn1ccc2ccc(cc21)NC(=O)N[*:1]
COCCn1ccc2ccc(NC(=O)NCCc3ccccn3)cc21 COC[*:1] O=C(NCCc1ccccn1)Nc1ccc2ccn(C[*:1])c2c1
Cc1nc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)no1 Cc1nc(C[*:1])no1 O=C(Nc1cc(Cl)ccc1Cl)C(=O)N[*:1]
Cc1nc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)no1 Cc1nc(no1)[*:1] O=C(NC[*:1])C(=O)Nc1cc(Cl)ccc1Cl
CS[C@@H]1CC[C@H](NC(=O)CCC(=O)c2ccc(C)s2)C1 Cc1ccc(s1)[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)CCC(=O)[*:1]
O=C(CSc1nnnn1C1CC1)N[C@H](CO)C(=O)[O-] O=C([O-])[*:1] O=C(CSc1nnnn1C1CC1)N[C@H](CO)[*:1]
O=C(CSc1nnnn1C1CC1)N[C@H](CO)C(=O)[O-] C1CC1[*:1] O=C(CSc1nnnn1[*:1])N[C@H](CO)C(=O)[O-]
COc1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1OC CS(=O)(=O)[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(Cn2ccc3nc(N4CCN(c5ccccc5)CC4)ncc3c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)Cn1ccc2nc(ncc2c1=O)N1CCN(CC1)[*:1]
COc1ccc(Cn2ccc3nc(N4CCN(c5ccccc5)CC4)ncc3c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c2cnc(nc2ccn1C[*:1])N1CCN(CC1)c1ccccc1
COc1ccc(Cn2ccc3nc(N4CCN(c5ccccc5)CC4)ncc3c2=O)cc1 COc1ccc(cc1)C[*:1] O=c1c2cnc(nc2ccn1[*:1])N1CCN(CC1)c1ccccc1
Cc1nn(C)cc1/C=N/NC(=O)c1ccncc1 c1cc(ccn1)[*:1] Cc1nn(C)cc1/C=N/NC(=O)[*:1]
N#Cc1ccc(OC2CCC(NC(=O)c3ccc[nH]3)CC2)nc1 c1c[nH]c(c1)[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)[*:1]
CC(C)c1ccc2oc(-c3ccc(C[NH3+])cc3)nc2c1 CC(C)[*:1] [NH3+]Cc1ccc(cc1)-c1nc2cc(ccc2o1)[*:1]
COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)[C@@H]1NC(=O)N[C@@](O)([C@H]1C(=O)c1ccc(F)cc1)[*:1]
COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1NC(=O)N[C@](O)([C@H]1C(=O)[*:1])C(F)(F)F
COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)cc1OC O=C(c1ccc(F)cc1)[*:1] COc1ccc(cc1OC)[C@@H]1NC(=O)N[C@](O)([C@@H]1[*:1])C(F)(F)F
COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)cc1OC COc1ccc(cc1OC)[*:1] O=C1N[C@H]([C@H](C(=O)c2ccc(F)cc2)[C@@](O)(N1)C(F)(F)F)[*:1]
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2ccccc2F)n1 Fc1ccccc1[*:1] Cc1cc(NC(=O)c2cccc(c2C)[N+](=O)[O-])n(n1)[*:1]
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2ccccc2F)n1 O=[N+]([O-])[*:1] Cc1cc(NC(=O)c2cccc(c2C)[*:1])n(n1)-c1ccccc1F
Cc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)c2ccccc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1C(N)=C(C#N)[C@H]([C@H]1C(=O)c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(N)N([C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1[*:1]
Cc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)[*:1]
CCOCCS(=O)(=O)[N-]c1cc(Br)ccc1O CCOC[*:1] O=S(=O)(C[*:1])[N-]c1cc(Br)ccc1O
CCOCCS(=O)(=O)[N-]c1cc(Br)ccc1O CCOCC[*:1] O=S(=O)([N-]c1cc(Br)ccc1O)[*:1]
CCOCCS(=O)(=O)[N-]c1cc(Br)ccc1O CCO[*:1] O=S(=O)(CC[*:1])[N-]c1cc(Br)ccc1O
NC1=NC(=O)[C@H](CC(=O)N2CC[C@H](c3ccccc3)C2)S1 c1ccc(cc1)[*:1] NC1=NC(=O)[C@H](CC(=O)N2CC[C@H](C2)[*:1])S1
Cc1noc(-c2cccnc2N2CC[C@H](NC(=O)COc3ccc(F)cc3)C2)n1 Fc1ccc(cc1)[*:1] Cc1noc(n1)-c1cccnc1N1CC[C@@H](C1)NC(=O)CO[*:1]
Cc1noc(-c2cccnc2N2CC[C@H](NC(=O)COc3ccc(F)cc3)C2)n1 Cc1noc(n1)[*:1] O=C(COc1ccc(F)cc1)N[C@H]1CCN(C1)c1ncccc1[*:1]
Cc1noc(-c2cccnc2N2CC[C@H](NC(=O)COc3ccc(F)cc3)C2)n1 Fc1ccc(cc1)O[*:1] Cc1noc(n1)-c1cccnc1N1CC[C@@H](C1)NC(=O)C[*:1]
Cc1noc(-c2cccnc2N2CC[C@H](NC(=O)COc3ccc(F)cc3)C2)n1 Fc1ccc(cc1)OC[*:1] Cc1noc(n1)-c1cccnc1N1CC[C@@H](C1)NC(=O)[*:1]
Cc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C)cn3)n2)nc1 Cc1ccc(nc1)[*:1] Cc1ccc(nc1)OC(=O)c1cccc(n1)C(=O)O[*:1]
CN(CC1CCCC1)C(=O)C(=O)Nc1cccc(SC(F)F)c1 FC(F)S[*:1] CN(CC1CCCC1)C(=O)C(=O)Nc1cccc(c1)[*:1]
CN(CC1CCCC1)C(=O)C(=O)Nc1cccc(SC(F)F)c1 C1CCC(C1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1cccc(c1)SC(F)F
CN(CC1CCCC1)C(=O)C(=O)Nc1cccc(SC(F)F)c1 C1CCC(C1)C[*:1] CN(C(=O)C(=O)Nc1cccc(c1)SC(F)F)[*:1]
CN(CC1CCCC1)C(=O)C(=O)Nc1cccc(SC(F)F)c1 FC(F)[*:1] CN(CC1CCCC1)C(=O)C(=O)Nc1cccc(c1)S[*:1]
COc1cccnc1N(C)C(=O)C[C@H](C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1cccnc1N(C)C(=O)C[C@H](C)C[*:1]
O=C(c1cc(=O)[nH]c2ccccc12)N1CCC([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(CC1)[C@H](O)[*:1]
O=C(c1cc(=O)[nH]c2ccccc12)N1CCC([C@H](O)c2ccccc2)CC1 O[C@H](c1ccccc1)[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(CC1)[*:1]
CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Nc1ncc(Cl)cc1F CCO[*:1] [NH3+][C@@H]1C[C@H]([C@H]1Nc1ncc(Cl)cc1F)[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2c(c1)Cc1ccccc1-2
O=C1OC(c2ccccc2OC(F)F)=N/C1=C\c1cccc(F)c1 FC(F)[*:1] O=C1OC(=N/C1=C\c1cccc(F)c1)c1ccccc1O[*:1]
O=C1OC(c2ccccc2OC(F)F)=N/C1=C\c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C1OC(=NC1=C[*:1])c1ccccc1OC(F)F
O=C1OC(c2ccccc2OC(F)F)=N/C1=C\c1cccc(F)c1 FC(F)O[*:1] O=C1OC(=N/C1=C\c1cccc(F)c1)c1ccccc1[*:1]
COc1ccccc1CNC(=O)c1cc2sccc2n1Cc1cccc(F)c1 COc1ccccc1C[*:1] O=C(N[*:1])c1cc2sccc2n1Cc1cccc(F)c1
COc1ccccc1CNC(=O)c1cc2sccc2n1Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] COc1ccccc1CNC(=O)c1cc2sccc2n1[*:1]
COc1ccccc1CNC(=O)c1cc2sccc2n1Cc1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1CNC(=O)c1cc2sccc2n1C[*:1]
COc1ccccc1CNC(=O)c1cc2sccc2n1Cc1cccc(F)c1 COc1ccccc1[*:1] O=C(NC[*:1])c1cc2sccc2n1Cc1cccc(F)c1
CCOC(=O)C1(NCc2nnc(-c3cc(C)oc3C)o2)CCCC1 Cc1cc(c(C)o1)[*:1] CCOC(=O)C1(CCCC1)NCc1nnc(o1)[*:1]
CCOC(=O)C1(NCc2nnc(-c3cc(C)oc3C)o2)CCCC1 CCOC(=O)[*:1] Cc1cc(-c2nnc(CNC3(CCCC3)[*:1])o2)c(C)o1
N#Cc1cccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 C1CCC(C1)C[*:1] N#Cc1cccc(c1)NC(=O)N1CCC(CC1)NC(=O)[*:1]
N#Cc1cccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 N#Cc1cccc(c1)[*:1] O=C(CC1CCCC1)NC1CCN(CC1)C(=O)N[*:1]
N#Cc1cccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 C1CCC(C1)[*:1] N#Cc1cccc(c1)NC(=O)N1CCC(CC1)NC(=O)C[*:1]
CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(SC)cc1 CCOC(=O)[*:1] CSc1ccc(cc1)[C@H]1C(=C(Nc2ncnn21)c1ccccc1)[*:1]
CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(SC)cc1 CSc1ccc(cc1)[*:1] CCOC(=O)C1=C(Nc2ncnn2[C@@H]1[*:1])c1ccccc1
CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(SC)cc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(Nc2ncnn2[C@H]1c1ccc(cc1)SC)[*:1]
Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)N[*:1]
Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)n(C)n1 Fc1ccccc1[*:1] Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)[*:1])n(C)n1
Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)n(C)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)N[C@@H](c2ccccc2F)[*:1])n(C)n1
Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)n(C)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)N[C@@H](C[*:1])c2ccccc2F)n(C)n1
C[C@H](Sc1cccc[n+]1[O-])C(=O)NC[C@H]1COc2ccccc2O1 [O-][n+]1ccccc1[*:1] C[C@H](S[*:1])C(=O)NC[C@H]1COc2ccccc2O1
C[C@H](Sc1cccc[n+]1[O-])C(=O)NC[C@H]1COc2ccccc2O1 [O-][n+]1ccccc1S[*:1] C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[*:1]
O=C(NCCOc1ccc2c(c1)OCO2)c1cc(C2CC2)on1 C1CC1[*:1] O=C(NCCOc1ccc2OCOc2c1)c1cc(on1)[*:1]
N#CCC[NH2+]C1(C(=O)[O-])CC1 O=C([O-])[*:1] N#CCC[NH2+]C1(CC1)[*:1]
N#CCC[NH2+]C1(C(=O)[O-])CC1 N#CC[*:1] O=C([O-])C1(CC1)[NH2+]C[*:1]
CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccccn1 c1ccc(C[*:1])nc1 CC[C@@H](Oc1ccccc1OC)C(=O)N[*:1]
CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccccn1 c1ccc(nc1)[*:1] CC[C@@H](Oc1ccccc1OC)C(=O)NC[*:1]
Cc1nc(C[C@@H](N)[C@]2([NH+](C)C)CCC[C@H](C)C2)cs1 Cc1nc(cs1)[*:1] C[C@H]1CCC[C@](C1)([C@H](N)C[*:1])[NH+](C)C
CCOc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+]2CCN(C)CC2)C1=O CCO[*:1] CN1CC[NH+](CC1)Cc1c([O-])ccc2C(=O)/C(=C/c3ccccc3[*:1])Oc21
CCOc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+]2CCN(C)CC2)C1=O CCOc1ccccc1[*:1] CN1CC[NH+](CC1)Cc1c([O-])ccc2C(=O)C(=C[*:1])Oc21
CC(C)Cn1cc[nH+]c1CN[C@@H](c1ccccc1)C(C)C CC(C)C[*:1] CC(C)[C@@H](NCc1[nH+]ccn1[*:1])c1ccccc1
CC(C)Cn1cc[nH+]c1CN[C@@H](c1ccccc1)C(C)C c1ccc(cc1)[*:1] CC(C)Cn1cc[nH+]c1CN[C@@H](C(C)C)[*:1]
CC(C)Cn1cc[nH+]c1CN[C@@H](c1ccccc1)C(C)C CC(C)[*:1] CC(C)[C@@H](NCc1[nH+]ccn1C[*:1])c1ccccc1
CC(C)Cn1cc[nH+]c1CN[C@@H](c1ccccc1)C(C)C CC(C)[*:1] CC(C)Cn1cc[nH+]c1CN[C@@H](c1ccccc1)[*:1]
O=C(CBr)c1cnc2ccc(Cl)cn12 O=C(CBr)[*:1] Clc1ccc2ncc(n2c1)[*:1]
COc1ccc(F)cc1NC(=O)c1sccc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] COc1ccc(F)cc1NC(=O)c1sccc1[*:1]
CC(C)(C)c1ccc(C(=O)N[C@H]2CCN3CCCc4cccc2c43)cc1 CC(C)(C)[*:1] O=C(N[C@H]1CCN2CCCc3cccc1c32)c1ccc(cc1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)Nc1cc(OC)ccc1F CCC[*:1] COc1ccc(F)c(c1)NC(=O)[C@@H](C[*:1])NC(N)=O
CCCC[C@@H](NC(N)=O)C(=O)Nc1cc(OC)ccc1F CCCC[*:1] COc1ccc(F)c(c1)NC(=O)[C@H](NC(N)=O)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)Nc1cc(OC)ccc1F NC(=O)N[*:1] CCCC[C@@H](C(=O)Nc1cc(ccc1F)OC)[*:1]
COC1=CC2=NC(SCc3cc(-c4ccccc4)on3)=NC2=CC1 c1ccc(cc1)[*:1] COC1=CC2=NC(=NC2=CC1)SCc1cc(on1)[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)o1 Cc1ccc(o1)[*:1] C[C@@](O)(CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)o1 Cc1ccc(o1)[C@@](C)(O)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)o1 c1coc(c1)[*:1] Cc1ccc(o1)[C@@](C)(O)CNC(=O)NC[C@@H]([NH+]1CCCCC1)[*:1]
CCN1CCN(S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)CC1 Cc1nc(cs1)[*:1] CCN1CCN(CC1)S(=O)(=O)c1cc(ccc1C)[*:1]
Cc1nccn1Cc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 c1ccn(c1)[*:1] Cc1nccn1Cc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
Cc1nccn1Cc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 Cc1nccn1C[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)-n1cccc1
Cc1nccn1Cc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 Cc1nccn1[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cccc(c1)-n1cccc1
CC(C)C[C@@H](C[NH3+])c1nc(C2CCOCC2)no1 CC(C)C[*:1] [NH3+]C[C@@H](c1nc(no1)C1CCOCC1)[*:1]
CC(C)C[C@@H](C[NH3+])c1nc(C2CCOCC2)no1 CC(C)[*:1] [NH3+]C[C@H](C[*:1])c1nc(no1)C1CCOCC1
CC(C)C[C@@H](C[NH3+])c1nc(C2CCOCC2)no1 C1CC(CCO1)[*:1] CC(C)C[C@@H](C[NH3+])c1nc(no1)[*:1]
CC1=NC(SCC(=O)Nc2ccccc2C(F)(F)F)=NC(=O)[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CC1=NC(=NC(=O)[C@@H]1[*:1])SCC(=O)Nc1ccccc1C(F)(F)F
CC1=NC(SCC(=O)Nc2ccccc2C(F)(F)F)=NC(=O)[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CC1=NC(=NC(=O)[C@H]1C[*:1])SCC(=O)Nc1ccccc1C(F)(F)F
CC1=NC(SCC(=O)Nc2ccccc2C(F)(F)F)=NC(=O)[C@H]1Cc1ccccc1 FC(F)(F)[*:1] CC1=NC(=NC(=O)[C@H]1Cc1ccccc1)SCC(=O)Nc1ccccc1[*:1]
CC1=NC(SCC(=O)Nc2ccccc2C(F)(F)F)=NC(=O)[C@H]1Cc1ccccc1 FC(F)(F)c1ccccc1[*:1] CC1=NC(=NC(=O)[C@H]1Cc1ccccc1)SCC(=O)N[*:1]
Nc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1 Brc1ccc(cc1)[*:1] Nc1cc(=O)[nH]c(n1)SCC(=O)Nc1nc(cs1)[*:1]
Nc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1 Nc1cc(=O)[nH]c(n1)[*:1] O=C(CS[*:1])Nc1nc(cs1)-c1ccc(Br)cc1
CCc1noc(CN(CC)C(=O)C(C)(C)NC(=O)c2cccs2)n1 CCc1noc(n1)[*:1] CCN(C[*:1])C(=O)C(C)(C)NC(=O)c1cccs1
CCc1noc(CN(CC)C(=O)C(C)(C)NC(=O)c2cccs2)n1 c1csc(c1)[*:1] CCc1noc(CN(CC)C(=O)C(C)(C)NC(=O)[*:1])n1
CCc1noc(CN(CC)C(=O)C(C)(C)NC(=O)c2cccs2)n1 CCc1noc(C[*:1])n1 CCN(C(=O)C(C)(C)NC(=O)c1cccs1)[*:1]
CCc1noc(CN(CC)C(=O)C(C)(C)NC(=O)c2cccs2)n1 O=C(N[*:1])c1cccs1 CCc1noc(CN(CC)C(=O)C(C)(C)[*:1])n1
CC(C)C[C@](C)(O)CNC(=O)CC[C@H](C)O C[C@H](O)CC[*:1] CC(C)C[C@](C)(O)CNC(=O)[*:1]
CC(C)C[C@](C)(O)CNC(=O)CC[C@H](C)O CC(C)C[*:1] C[C@H](O)CCC(=O)NC[C@](C)(O)[*:1]
CC(C)C[C@](C)(O)CNC(=O)CC[C@H](C)O C[C@H](O)[*:1] CC(C)C[C@](C)(O)CNC(=O)CC[*:1]
CC(C)C[C@](C)(O)CNC(=O)CC[C@H](C)O C[C@H](O)C[*:1] CC(C)C[C@](C)(O)CNC(=O)C[*:1]
CC(C)C[C@](C)(O)CNC(=O)CC[C@H](C)O CC(C)[*:1] C[C@H](O)CCC(=O)NC[C@@](C)(O)C[*:1]
C=C[C@@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] C=C[C@@H](C)NC(=O)c1c(C)cc(C)c(c1C)[*:1]
O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 O=S(=O)(NC[C@@H]1CCCO1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)c(Cl)c1
O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1Cl)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC[C@@H]1CCCO1)[C@H]1CC(=O)N(C1)[*:1]
CCCNC(=O)NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O CCCNC(=O)NC(=O)[*:1] O=C1N[C@@](Cc2ccccc2)(C(=O)N1C[*:1])c1ccccc1
CCCNC(=O)NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O CCCNC(=O)NC(=O)C[*:1] O=C1N[C@@](Cc2ccccc2)(C(=O)N1[*:1])c1ccccc1
CCCNC(=O)NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O c1ccc(cc1)C[*:1] CCCNC(=O)NC(=O)CN1C(=O)N[C@@](C1=O)(c1ccccc1)[*:1]
CCCNC(=O)NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCCNC(=O)NC(=O)CN1C(=O)N[C@@](C[*:1])(C1=O)c1ccccc1
CCCNC(=O)NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O CCC[*:1] O=C(CN1C(=O)N[C@@](Cc2ccccc2)(C1=O)c1ccccc1)NC(=O)N[*:1]
CCCNC(=O)NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCCNC(=O)NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(C1=O)[*:1]
O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCN(C(=O)Nc2ccccc2)CC1 Clc1cc(Cl)c(cc1Cl)[*:1] O=C(CO[*:1])N1CCN(CC1)C(=O)Nc1ccccc1
O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCN(CC1)C(=O)N[*:1]
CCc1nc2n(n1)C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)CC2 c1ccc(cc1)[*:1] CCc1nc2CC[C@H](Cn2n1)[NH2+]CCNS(=O)(=O)[*:1]
CCCCN(C(=O)c1oc2ccccc2c1C)c1c(N)n(CCC)c(=O)[nH]c1=O CCCC[*:1] CCCn1c(N)c(c(=O)[nH]c1=O)N(C(=O)c1oc2ccccc2c1C)[*:1]
CCCCN(C(=O)c1oc2ccccc2c1C)c1c(N)n(CCC)c(=O)[nH]c1=O CCC[*:1] CCCCN(C(=O)c1oc2ccccc2c1C)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCCCN(C(=O)c1oc2ccccc2c1C)c1c(N)n(CCC)c(=O)[nH]c1=O CCC[*:1] CCCn1c(N)c(c(=O)[nH]c1=O)N(C[*:1])C(=O)c1oc2ccccc2c1C
CCCn1c(S[C@H](C(N)=O)c2ccccc2)nc2sc(CC)cc2c1=O CCC[*:1] CCc1cc2c(=O)n(c(nc2s1)S[C@H](C(N)=O)c1ccccc1)[*:1]
CCCn1c(S[C@H](C(N)=O)c2ccccc2)nc2sc(CC)cc2c1=O NC(=O)[*:1] CCCn1c(nc2sc(cc2c1=O)CC)S[C@H](c1ccccc1)[*:1]
CCCn1c(S[C@H](C(N)=O)c2ccccc2)nc2sc(CC)cc2c1=O c1ccc(cc1)[*:1] CCCn1c(nc2sc(cc2c1=O)CC)S[C@H](C(N)=O)[*:1]
COc1cccc(CCNC(=O)CN2CCN(c3ccccc3O)CC2)c1 COc1cccc(c1)C[*:1] O=C(CN1CCN(CC1)c1ccccc1O)NC[*:1]
COc1cccc(CCNC(=O)CN2CCN(c3ccccc3O)CC2)c1 Oc1ccccc1[*:1] COc1cccc(c1)CCNC(=O)CN1CCN(CC1)[*:1]
COc1cccc(CCNC(=O)CN2CCN(c3ccccc3O)CC2)c1 COc1cccc(c1)[*:1] O=C(CN1CCN(CC1)c1ccccc1O)NCC[*:1]
c1ccc2c(NCc3nnc(C4CCC4)o3)cccc2c1 C1CC(C1)[*:1] c1ccc2c(cccc2c1)NCc1nnc(o1)[*:1]
CC1=C(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Cl)c2)[C@H](C)N=N1 Clc1cccc(c1)[*:1] CC1N=N[C@@H](C)C=1C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]1[*:1]
COc1ccc(Cc2sc(NC(=O)[C@H]3COc4ccccc4O3)nc2C)cc1 COc1ccc(cc1)C[*:1] Cc1nc(NC(=O)[C@H]2COc3ccccc3O2)sc1[*:1]
COc1ccc(Cc2sc(NC(=O)[C@H]3COc4ccccc4O3)nc2C)cc1 COc1ccc(cc1)[*:1] Cc1nc(NC(=O)[C@H]2COc3ccccc3O2)sc1C[*:1]
Cc1cnc2nc(C[C@H](O)C(F)(F)F)[nH]c2c1 FC(F)(F)[*:1] Cc1cnc2nc(C[C@H](O)[*:1])[nH]c2c1
CCN(CC(C)(C)O)C(=O)COCc1ccccc1Cl CC(C)(O)C[*:1] CCN(C(=O)COCc1ccccc1Cl)[*:1]
CCN(CC(C)(C)O)C(=O)COCc1ccccc1Cl CC(C)(O)[*:1] CCN(C[*:1])C(=O)COCc1ccccc1Cl
O=C(Nc1cccc2ccccc12)NC1CC[NH+](CC(F)F)CC1 FC(F)[*:1] O=C(Nc1cccc2ccccc12)NC1CC[NH+](CC1)C[*:1]
O=C1C(=O)N(CC[NH+]2CCOCC2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)c1cccs1 c1csc(c1)[*:1] O=C1C(=O)N(CC[NH+]2CCOCC2)[C@H](/C1=C(\O)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C1C(=O)N(CC[NH+]2CCOCC2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)c1cccs1 O=[N+]([O-])c1cccc(c1)[*:1] O=C1C(=O)N(CC[NH+]2CCOCC2)[C@@H](/C1=C(\O)c1cccs1)[*:1]
O=C1C(=O)N(CC[NH+]2CCOCC2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)c1cccs1 O=[N+]([O-])[*:1] O=C1C(=O)N(CC[NH+]2CCOCC2)[C@H](/C1=C(\O)c1cccs1)c1cccc(c1)[*:1]
CC[C@@H](C)N(CC)C(=O)c1ccccc1N CC[C@@H](C)[*:1] CCN(C(=O)c1ccccc1N)[*:1]
Cc1cc(C)c(C(=O)Cn2nc(N)n(Nc3cccs3)c2=S)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(C(=O)Cn2nc(N)n(N[*:1])c2=S)c(C)c1
C[C@H]1CN(C(=O)CC[C@H](C)c2ccccc2)C(C)(C)CO1 c1ccc(cc1)[*:1] C[C@H]1CN(C(=O)CC[C@H](C)[*:1])C(C)(C)CO1
CN(C)c1nc2c(c(-c3ccc(S(C)(=O)=O)cc3)n1)CCCC2 CN(C)[*:1] CS(=O)(=O)c1ccc(cc1)-c1nc(nc2CCCCc21)[*:1]
CN(C)c1nc2c(c(-c3ccc(S(C)(=O)=O)cc3)n1)CCCC2 CS(=O)(=O)[*:1] CN(C)c1nc2CCCCc2c(n1)-c1ccc(cc1)[*:1]
CC(C)c1ccc(CNC(N)=[NH2+])cc1 CC(C)[*:1] NC(=[NH2+])NCc1ccc(cc1)[*:1]
CC(C)c1ccc(CNC(N)=[NH2+])cc1 NC(=[NH2+])N[*:1] CC(C)c1ccc(cc1)C[*:1]
CN(C)N1C(N)=C(C#N)[C@@H](c2cccs2)C2=C1CCCC2=O c1csc(c1)[*:1] CN(C)N1C(N)=C(C#N)[C@@H](C2C(=O)CCCC=21)[*:1]
O=C(N[C@H]1C=C[C@H](C(=O)[O-])C1)c1cc(F)c(Cl)cc1Cl O=C([O-])[*:1] O=C(N[C@H]1C=C[C@H](C1)[*:1])c1cc(F)c(Cl)cc1Cl
CC(C)n1nnnc1COc1cccc(C(=O)NC2CCCCCC2)c1 CC(C)[*:1] O=C(NC1CCCCCC1)c1cccc(c1)OCc1nnnn1[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)NC2CCCCCC2)c1 CC(C)n1nnnc1[*:1] O=C(NC1CCCCCC1)c1cccc(c1)OC[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)NC2CCCCCC2)c1 C1CCCC(CC1)[*:1] CC(C)n1nnnc1COc1cccc(c1)C(=O)N[*:1]
COC[C@H](NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O)C(N)=O c1ccc(cc1)[*:1] COC[C@H](NC(=O)c1cc(c(C)[nH]c1=O)[*:1])C(N)=O
COC[C@H](NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O)C(N)=O COC[*:1] Cc1[nH]c(=O)c(cc1-c1ccccc1)C(=O)N[C@H](C(N)=O)[*:1]
COC[C@H](NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O)[*:1]
CC1=C[C@@H](C)[C@H]2C(=O)N([C@H](Cc3ccccc3)C(=O)[O-])C(=O)[C@H]2C1 O=C([O-])[*:1] CC1=C[C@@H](C)[C@H]2C(=O)N(C(=O)[C@H]2C1)[C@H](Cc1ccccc1)[*:1]
CC1=C[C@@H](C)[C@H]2C(=O)N([C@H](Cc3ccccc3)C(=O)[O-])C(=O)[C@H]2C1 c1ccc(cc1)[*:1] CC1=C[C@@H](C)[C@H]2C(=O)N(C(=O)[C@H]2C1)[C@H](C[*:1])C(=O)[O-]
CC1=C[C@@H](C)[C@H]2C(=O)N([C@H](Cc3ccccc3)C(=O)[O-])C(=O)[C@H]2C1 c1ccc(cc1)C[*:1] CC1=C[C@@H](C)[C@H]2C(=O)N(C(=O)[C@H]2C1)[C@H](C(=O)[O-])[*:1]
CCCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 CCC[*:1] O=[N+]([O-])c1ccc(cc1)CS(=O)(=O)NC[*:1]
CCCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCCCNS(=O)(=O)Cc1ccc(cc1)[*:1]
CCCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 CCCC[*:1] O=[N+]([O-])c1ccc(cc1)CS(=O)(=O)N[*:1]
COc1ccc(CC[C@H]2C[C@@H](C(C)(C)C)CCC2=O)cc1 CC(C)(C)[*:1] COc1ccc(cc1)CC[C@H]1C[C@@H](CCC1=O)[*:1]
C[C@H]1CN(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)CCO1 C[C@H]1CN(CCO1)[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccccc1Cl
C[C@H]1CN(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)CCO1 Clc1ccccc1[*:1] C[C@H]1CN(CCO1)CC(=O)Nc1nc(cs1)[*:1]
Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cccs1 c1csc(c1)[*:1] Cc1cc(Cl)cc(Cl)c1CNC(=O)[*:1]
CC(C)(C)OC(=O)NC1CCN(CC(=O)c2nccs2)CC1 CC(C)(C)[*:1] O=C(NC1CCN(CC1)CC(=O)c1nccs1)O[*:1]
CC(C)(C)OC(=O)NC1CCN(CC(=O)c2nccs2)CC1 O=C(c1nccs1)[*:1] CC(C)(C)OC(=O)NC1CCN(CC1)C[*:1]
CC(C)(C)OC(=O)NC1CCN(CC(=O)c2nccs2)CC1 c1csc(n1)[*:1] CC(C)(C)OC(=O)NC1CCN(CC1)CC(=O)[*:1]
COc1ccc(C)cc1[C@@H](C)NC[C@@H]1CN(C2CC2)CCO1 C1CC1[*:1] COc1ccc(C)cc1[C@@H](C)NC[C@@H]1CN(CCO1)[*:1]
CCOC(=O)c1ccn(-c2cccc(NC(=O)C3CCCC3)c2)n1 O=C(N[*:1])C1CCCC1 CCOC(=O)c1ccn(n1)-c1cccc(c1)[*:1]
CCOC(=O)c1ccn(-c2cccc(NC(=O)C3CCCC3)c2)n1 CCOC(=O)[*:1] O=C(Nc1cccc(c1)-n1ccc(n1)[*:1])C1CCCC1
CCOC(=O)c1ccn(-c2cccc(NC(=O)C3CCCC3)c2)n1 C1CCC(C1)[*:1] CCOC(=O)c1ccn(n1)-c1cccc(c1)NC(=O)[*:1]
O=C1N(C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2C12O[C@@H]1CCCC[C@H]1O2 c1ccc(cc1)[*:1] O=C1N(C[NH+]2CCN(CC2)[*:1])c2ccccc2C12O[C@@H]1CCCC[C@H]1O2
CC(C)c1nc(C(=O)[O-])nn1-c1ccccc1F CC(C)[*:1] O=C([O-])c1nc(n(n1)-c1ccccc1F)[*:1]
CC(C)c1nc(C(=O)[O-])nn1-c1ccccc1F O=C([O-])[*:1] CC(C)c1nc(nn1-c1ccccc1F)[*:1]
C1=C[C@H]2C[C@@H]1C[C@H]2CN1CC[NH+](C2CCCCCC2)CC1 C1CCCC(CC1)[*:1] C1=C[C@H]2C[C@@H]1C[C@H]2CN1CC[NH+](CC1)[*:1]
CC(C)C[C@H](C[NH+](C)C)Nc1ncncc1N CC(C)[*:1] C[NH+](C)C[C@@H](C[*:1])Nc1ncncc1N
CC(C)C[C@H](C[NH+](C)C)Nc1ncncc1N CC(C)C[*:1] C[NH+](C)C[C@H](Nc1ncncc1N)[*:1]
O=C1C=C(c2cccs2)C[C@H](c2cccs2)[C@@H]1n1cnc([N+](=O)[O-])n1 c1csc(c1)[*:1] O=C1C=C(C[C@H]([C@@H]1n1cnc(n1)[N+](=O)[O-])[*:1])c1cccs1
O=C1C=C(c2cccs2)C[C@H](c2cccs2)[C@@H]1n1cnc([N+](=O)[O-])n1 O=[N+]([O-])c1ncn(n1)[*:1] O=C1C=C(C[C@H](c2cccs2)[C@H]1[*:1])c1cccs1
O=C1C=C(c2cccs2)C[C@H](c2cccs2)[C@@H]1n1cnc([N+](=O)[O-])n1 c1csc(c1)[*:1] O=C1C=C(C[C@H](c2cccs2)[C@@H]1n1cnc(n1)[N+](=O)[O-])[*:1]
O=C1C=C(c2cccs2)C[C@H](c2cccs2)[C@@H]1n1cnc([N+](=O)[O-])n1 O=[N+]([O-])[*:1] O=C1C=C(C[C@H](c2cccs2)[C@@H]1n1cnc(n1)[*:1])c1cccs1
CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[C@H](C)C1 CC(C)[*:1] C[C@H]1CCC[C@@H](C[NH2+][C@@H]2CCCn3nc(nc32)[*:1])C1
CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[C@H](C)C1 C[C@H]1CCC[C@H](C1)[*:1] CC(C)c1nc2[C@@H](CCCn2n1)[NH2+]C[*:1]
CCCOC(=O)c1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)C(=O)O[*:1])c1ccc[n+]([O-])c1
CCCOC(=O)c1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1 [O-][n+]1cccc(c1)[*:1] CCCOC(=O)c1ccc(cc1)NC(=O)[*:1]
CCCOC(=O)c1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1 CCCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc[n+]([O-])c1
CCOc1cc(CO)cc(Br)c1OCc1ccccc1F CCO[*:1] OCc1cc(Br)c(OCc2ccccc2F)c(c1)[*:1]
CCOc1cc(CO)cc(Br)c1OCc1ccccc1F Fc1ccccc1[*:1] CCOc1cc(cc(Br)c1OC[*:1])CO
O=C(Cn1nnn(-c2cccs2)c1=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] O=C(Cn1nnn(-c2cccs2)c1=O)NC[C@@H]1CN(CCO1)C[*:1]
O=C(Cn1nnn(-c2cccs2)c1=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1csc(c1)[*:1] O=C(Cn1nnn(c1=O)[*:1])NC[C@@H]1CN(CCO1)Cc1ccccc1
O=C(Cn1nnn(-c2cccs2)c1=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] O=C(Cn1nnn(-c2cccs2)c1=O)NC[C@@H]1CN(CCO1)[*:1]
CC(C)[C@H](O)CCNC(=O)C(=O)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] CC(C)[C@H](O)CCNC(=O)C(=O)Nc1ccn(n1)[*:1]
CC(C)[C@H](O)CCNC(=O)C(=O)Nc1ccn(-c2ncccc2Cl)n1 CC(C)[*:1] O=C(NCC[C@@H](O)[*:1])C(=O)Nc1ccn(n1)-c1ncccc1Cl
Cc1cccc(C(=O)NCCS(=O)(=O)NCC2CCC2)c1C C1CC(C1)[*:1] Cc1cccc(C(=O)NCCS(=O)(=O)NC[*:1])c1C
Cc1cccc(C(=O)NCCS(=O)(=O)NCC2CCC2)c1C C1CC(C1)C[*:1] Cc1cccc(C(=O)NCCS(=O)(=O)N[*:1])c1C
CCCC(=O)N1CCC(C(=O)NN=C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCCC(=O)N1CCC(CC1)C(=O)NN=C(c1ccccc1)[*:1]
CCCC(=O)N1CCC(C(=O)NN=C(c2ccccc2)c2ccccc2)CC1 CCC[*:1] O=C(NN=C(c1ccccc1)c1ccccc1)C1CCN(CC1)C(=O)[*:1]
O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Br)c1 ClC(Cl)(Cl)[*:1] O=C(N[C@H](NC(=S)Nc1ccccc1)[*:1])c1cccc(Br)c1
O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Br)c1 c1ccc(cc1)[*:1] O=C(N[C@H](NC(=S)N[*:1])C(Cl)(Cl)Cl)c1cccc(Br)c1
O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)[*:1]
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)Cc2ccccc2)n(C)n1 c1ccc(cc1)[*:1] CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)C[*:1])n(C)n1
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)Cc2ccccc2)n(C)n1 c1ccc(cc1)C[*:1] CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)[*:1])n(C)n1
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)Cc2ccccc2)n(C)n1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)c1cc(NC(=O)Cc2ccccc2)n(C)n1
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)Cc2ccccc2)n(C)n1 c1ccc(cc1)C[*:1] CCN(C(=O)c1cc(NC(=O)Cc2ccccc2)n(C)n1)[*:1]
CC(C)CC(=O)N1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 CC(C)[*:1] O=C1COc2ncc(cc2N1)C(=O)N1CCN(CC1)C(=O)C[*:1]
CC(C)CC(=O)N1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 CC(C)C[*:1] O=C1COc2ncc(cc2N1)C(=O)N1CCN(CC1)C(=O)[*:1]
O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)N[*:1])NCCc1ccc(Cl)cc1
O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(Cc1csc(n1)NC(=O)Nc1ccc(Cl)cc1)NC[*:1]
O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)CC[*:1] O=C(Cc1csc(n1)NC(=O)Nc1ccc(Cl)cc1)N[*:1]
O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)Nc1ccc(Cl)cc1)NCC[*:1]
Cc1ccc2c(c1)C[C@@H](C[C@@H](C[NH3+])c1ccc(F)cc1)O2 Fc1ccc(cc1)[*:1] Cc1ccc2O[C@@H](Cc2c1)C[C@@H](C[NH3+])[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)s2)NC(=O)N1C Cc1ccc(s1)[*:1] CC1=C(C(=O)OC(C)C)[C@@H](NC(=O)N1C)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)s2)NC(=O)N1C CC(C)OC(=O)[*:1] CC1=C([C@H](NC(=O)N1C)c1ccc(C)s1)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)s2)NC(=O)N1C CC(C)[*:1] CC1=C(C(=O)O[*:1])[C@H](NC(=O)N1C)c1ccc(C)s1
COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](O)c2cnn(C)c2)c1 O=[N+]([O-])[*:1] COc1cc(F)c(c(c1)NC[C@@H](O)c1cnn(C)c1)[*:1]
COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](O)c2cnn(C)c2)c1 Cn1cc(cn1)[*:1] COc1cc(F)c(c(c1)NC[C@@H](O)[*:1])[N+](=O)[O-]
COc1ccc(C(=O)N2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)cc1 COc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(C1=O)C1Cc2ccccc2C1)C1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)cc1 c1ccc2CC(Cc2c1)[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)[C@@]1(C)NC(=O)N(C1=O)[*:1]
CCc1cnc(NC(=O)c2cc(C)n(C(C)C)c2C)s1 CC(C)[*:1] CCc1cnc(NC(=O)c2cc(C)n(c2C)[*:1])s1
COc1ccccc1-c1nc(C[NH+](C)Cc2ccc(C#N)cc2)cs1 COc1ccccc1[*:1] C[NH+](Cc1ccc(C#N)cc1)Cc1csc(n1)[*:1]
COc1ccccc1-c1nc(C[NH+](C)Cc2ccc(C#N)cc2)cs1 N#Cc1ccc(cc1)[*:1] COc1ccccc1-c1nc(cs1)C[NH+](C)C[*:1]
COc1ccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1noc(n1)-c1cc(n[nH]1)[*:1]
CC[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)[*:1]
CC[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)c1ccc(C)cc1 CC[C@H](c1ccc(C)cc1)[*:1] C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N[*:1]
Cc1ccc(CNC(=O)NCc2ccnc(OC(C)(C)C)c2)cn1 Cc1ccc(cn1)C[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)N[*:1]
Cc1ccc(CNC(=O)NCc2ccnc(OC(C)(C)C)c2)cn1 CC(C)(C)[*:1] Cc1ccc(cn1)CNC(=O)NCc1ccnc(c1)O[*:1]
Cc1ccc(CNC(=O)NCc2ccnc(OC(C)(C)C)c2)cn1 Cc1ccc(cn1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)NC[*:1]
Cc1ccc(CNC(=O)NCc2ccnc(OC(C)(C)C)c2)cn1 CC(C)(C)O[*:1] Cc1ccc(cn1)CNC(=O)NCc1ccnc(c1)[*:1]
CCN(CCO)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 OCC[*:1] CCN(C(=O)Nc1cccc(c1)C(=O)Nc1cccc(C#N)c1)[*:1]
CCN(CCO)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] CCN(CCO)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1cccc(-c2nn(C[NH+]3CCCCC3)c(=S)n2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1nn(C[NH+]2CCCCC2)c(=S)n1[*:1]
Cc1cccc(-c2nn(C[NH+]3CCCCC3)c(=S)n2-c2ccccc2)c1 Cc1cccc(c1)[*:1] S=c1n(C[NH+]2CCCCC2)nc(n1-c1ccccc1)[*:1]
C[NH2+][C@@H](C1CCCC1)[C@@H]1CCc2cccnc21 C1CCC(C1)[*:1] C[NH2+][C@@H]([C@@H]1CCc2cccnc21)[*:1]
Cc1ccc(-c2cccc(F)c2C(=O)[O-])c(C)c1 O=C([O-])[*:1] Cc1ccc(c(C)c1)-c1cccc(F)c1[*:1]
CN(C)C(=O)[C@@H](Sc1nnc2n(C)c3ccccc3n12)c1ccccc1 CN(C)C(=O)[*:1] Cn1c2ccccc2n2c(nnc12)S[C@@H](c1ccccc1)[*:1]
CN(C)C(=O)[C@@H](Sc1nnc2n(C)c3ccccc3n12)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](Sc1nnc2n(C)c3ccccc3n12)[*:1]
Cc1ccc(C(=O)NNC(=O)c2ccc(SC[C@H]3CCCO3)c([N+](=O)[O-])c2)cc1 Cc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1ccc(SC[C@H]2CCCO2)c(c1)[N+](=O)[O-]
Cc1ccc(C(=O)NNC(=O)c2ccc(SC[C@H]3CCCO3)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)NNC(=O)c1ccc(SC[C@H]2CCCO2)c(c1)[*:1]
CCCn1/c(=N/C(=O)[C@@H](CCSC)NC(N)=O)[nH]c2ccccc21 CSC[*:1] CCCn1/c(=N/C(=O)[C@@H](C[*:1])NC(N)=O)[nH]c2ccccc21
CCCn1/c(=N/C(=O)[C@@H](CCSC)NC(N)=O)[nH]c2ccccc21 CSCC[*:1] CCCn1/c(=N/C(=O)[C@@H](NC(N)=O)[*:1])[nH]c2ccccc21
CCCn1/c(=N/C(=O)[C@@H](CCSC)NC(N)=O)[nH]c2ccccc21 CCC[*:1] CSCC[C@@H](NC(N)=O)C(=O)/N=c1\[nH]c2ccccc2n1[*:1]
CCCn1/c(=N/C(=O)[C@@H](CCSC)NC(N)=O)[nH]c2ccccc21 NC(=O)N[*:1] CCCn1/c(=N/C(=O)[C@@H](CCSC)[*:1])[nH]c2ccccc21
Cn1/c(=N/C(=O)c2sccc2S(=O)(=O)N2CCOCC2)sc2ccccc21 O=S(=O)(N1CCOCC1)[*:1] Cn1/c(=N/C(=O)c2sccc2[*:1])sc2ccccc21
COc1ccccc1N1C[C@@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O COc1ccccc1[*:1] O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CC(=O)N(C1)[*:1]
COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 CC(C)(C)NC(=O)[*:1] COc1cc(cc(c1)C(=O)Nc1ccccc1[*:1])OC
COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] COc1cc(cc(c1)C(=O)Nc1ccccc1C(=O)N[*:1])OC
C[C@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1ccccn1 c1cc(ccn1)[*:1] C[C@H](Nc1nc(nc2ccccc12)[*:1])c1ccccn1
C[C@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](Nc1nc(nc2ccccc12)-c1ccncc1)[*:1]
O=C([O-])c1ccc([S@@](=O)Cc2ccc(O)cc2)cc1 O=C([O-])[*:1] O=[S@@](Cc1ccc(O)cc1)c1ccc(cc1)[*:1]
CCc1nn(C)cc1CNC(=O)NCC(C)(C)Cc1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)NCC(C)(C)C[*:1]
CCc1nn(C)cc1CNC(=O)NCC(C)(C)Cc1ccccc1 CCc1nn(C)cc1[*:1] CC(C)(CNC(=O)NC[*:1])Cc1ccccc1
CCc1nn(C)cc1CNC(=O)NCC(C)(C)Cc1ccccc1 c1ccc(cc1)C[*:1] CCc1nn(C)cc1CNC(=O)NCC(C)(C)[*:1]
O=C(NCc1ccnc(OCC(F)F)c1)NCc1cscn1 c1nc(cs1)C[*:1] O=C(NCc1ccnc(c1)OCC(F)F)N[*:1]
O=C(NCc1ccnc(OCC(F)F)c1)NCc1cscn1 FC(F)CO[*:1] O=C(NCc1ccnc(c1)[*:1])NCc1cscn1
O=C(NCc1ccnc(OCC(F)F)c1)NCc1cscn1 c1nc(cs1)[*:1] O=C(NCc1ccnc(c1)OCC(F)F)NC[*:1]
O=C(NCc1ccnc(OCC(F)F)c1)NCc1cscn1 FC(F)C[*:1] O=C(NCc1ccnc(c1)O[*:1])NCc1cscn1
O=C(NCc1ccnc(OCC(F)F)c1)NCc1cscn1 FC(F)[*:1] O=C(NCc1ccnc(c1)OC[*:1])NCc1cscn1
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCc2ccco2)CC1 O=C(N1CCCC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)NCc1ccco1)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCc2ccco2)CC1 c1coc(c1)C[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)N[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCc2ccco2)CC1 c1coc(c1)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)NC[*:1]
CC(C)c1ccc(CN(C)C(=O)NCCCn2cccn2)cc1 c1cnn(c1)C[*:1] CC(C)c1ccc(cc1)CN(C)C(=O)NCC[*:1]
CC(C)c1ccc(CN(C)C(=O)NCCCn2cccn2)cc1 c1cnn(c1)[*:1] CC(C)c1ccc(cc1)CN(C)C(=O)NCCC[*:1]
CC(C)c1ccc(CN(C)C(=O)NCCCn2cccn2)cc1 CC(C)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)NCCCn1cccn1
CC(C)c1ccc(CN(C)C(=O)NCCCn2cccn2)cc1 c1cnn(c1)CC[*:1] CC(C)c1ccc(cc1)CN(C)C(=O)NC[*:1]
CNC(=O)[C@@H]1CCCN(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)C1 CNC(=O)[*:1] Cc1cn(nc1NC(=O)N1CCC[C@H](C1)[*:1])-c1ccccc1Cl
CNC(=O)[C@@H]1CCCN(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)C1 Clc1ccccc1[*:1] CNC(=O)[C@@H]1CCCN(C1)C(=O)Nc1nn(cc1C)[*:1]
COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2)CC1 COc1ccccc1[*:1] C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(CC1)[*:1]
COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccccc1N1CC[NH+](CC1)[C@@H](C)C(=O)N[*:1]
CNC(=O)c1ccc(O[C@@H]2CCC[C@H]([NH3+])C2)nn1 CNC(=O)[*:1] [NH3+][C@H]1CCC[C@H](C1)Oc1ccc(nn1)[*:1]
COc1ccc(C(=O)O[C@@H](C)[C@@H]2CCCO2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])C(=O)O[C@@H](C)[C@@H]1CCCO1
COc1ccc(C(=O)O[C@@H](C)[C@@H]2CCCO2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])C(=O)O[C@@H](C)[C@@H]1CCCO1
CCc1cccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)c1 CCc1cccc(c1)[*:1] Cn1nnnc1-c1cccc(c1)NS(=O)(=O)[*:1]
CCc1cccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)c1 Cn1nnnc1[*:1] CCc1cccc(c1)S(=O)(=O)Nc1cccc(c1)[*:1]
CCCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1 c1ccc(cc1)[*:1] CCCNC(=O)CN1CCN(CC1)C(=O)Cc1c(C)nn(c1C)[*:1]
CCCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1 CCCNC(=O)C[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCN(CC1)[*:1]
CCCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1 CCCNC(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCN(CC1)C[*:1]
CCCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1 CCC[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1ccc(C(=O)NC2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)s1 Cc1ccc(s1)[*:1] O=C(NC1CC[NH+](CC1)Cc1nc(cs1)-c1ccccc1)[*:1]
Cc1ccc(C(=O)NC2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)s1 Cc1ccc(s1)C(=O)N[*:1] c1ccc(cc1)-c1csc(C[NH+]2CCC(CC2)[*:1])n1
Cc1ccc(C(=O)NC2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)NC1CC[NH+](CC1)Cc1nc(cs1)[*:1]
CCOc1ccc(F)c(C(=O)OC[C@H]2CCCCO2)c1F CCO[*:1] O=C(OC[C@H]1CCCCO1)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)OC[C@H]2CCCCO2)c1F C1CC[C@H](C[*:1])OC1 CCOc1ccc(F)c(C(=O)O[*:1])c1F
CCOc1ccc(F)c(C(=O)OC[C@H]2CCCCO2)c1F C1CC[C@@H](OC1)[*:1] CCOc1ccc(F)c(C(=O)OC[*:1])c1F
C[NH+]1CCC(NC(=O)c2ncoc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)NC(=O)c1ncoc1[*:1]
O=C(NC[C@@H](O)CN1CCCC1=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NC[C@@H](O)CN1CCCC1=O)N[*:1]
O=C(NC[C@@H](O)CN1CCCC1=O)Nc1cccc(F)c1 O=C1CCCN1C[*:1] O=C(NC[C@@H](O)[*:1])Nc1cccc(F)c1
O=C(NC[C@@H](O)CN1CCCC1=O)Nc1cccc(F)c1 O=C1CCCN1[*:1] O=C(NC[C@@H](O)C[*:1])Nc1cccc(F)c1
O=C(CSCC(F)(F)F)N1CCN(c2ccc(Cl)cn2)CC1 FC(F)(F)CSC[*:1] O=C(N1CCN(CC1)c1ccc(Cl)cn1)[*:1]
O=C(CSCC(F)(F)F)N1CCN(c2ccc(Cl)cn2)CC1 FC(F)(F)[*:1] O=C(CSC[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=C(CSCC(F)(F)F)N1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] O=C(CSCC(F)(F)F)N1CCN(CC1)[*:1]
O=C(CSCC(F)(F)F)N1CCN(c2ccc(Cl)cn2)CC1 FC(F)(F)CS[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=C(CSCC(F)(F)F)N1CCN(c2ccc(Cl)cn2)CC1 FC(F)(F)C[*:1] O=C(CS[*:1])N1CCN(CC1)c1ccc(Cl)cn1
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NC[*:1]
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 COc1ccc(Cl)cc1[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)NCc1ccc2OCOc2c1
Cn1cc(C(=O)Nc2ccc(-n3ccnn3)cc2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2ccc(cc2)-n2ccnn2)c(n1)[*:1]
Cn1cc(C(=O)Nc2ccc(-n3ccnn3)cc2)c(C(C)(C)C)n1 c1cn(nn1)[*:1] Cn1cc(C(=O)Nc2ccc(cc2)[*:1])c(n1)C(C)(C)C
Cc1cccc(NC(=O)C[C@@H]2CCCCO2)c1C(=O)[O-] O=C([O-])[*:1] Cc1cccc(NC(=O)C[C@@H]2CCCCO2)c1[*:1]
Cc1cccc(NC(=O)C[C@@H]2CCCCO2)c1C(=O)[O-] C1CC[C@H](OC1)[*:1] Cc1cccc(NC(=O)C[*:1])c1C(=O)[O-]
Clc1ccc([C@H](NCCc2nnc3ccccn23)C2CC2)cc1Cl C1CC1[*:1] Clc1ccc(cc1Cl)[C@H](NCCc1nnc2ccccn12)[*:1]
Clc1ccc([C@H](NCCc2nnc3ccccn23)C2CC2)cc1Cl Clc1ccc(cc1Cl)[*:1] c1ccn2c(CCN[C@H](C3CC3)[*:1])nnc2c1
Clc1ccc(OCCCCSc2ncccn2)cc1Cl c1cnc(nc1)[*:1] Clc1ccc(cc1Cl)OCCCCS[*:1]
Cn1nnc2cc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)ccc21 Clc1ccc(cc1Cl)[*:1] Cn1nnc2cc(ccc21)C(=O)N[C@@H](C#N)[*:1]
Cc1cc(C)cc(-c2nnc(Sc3nc(C(C)C)ns3)o2)c1 CC(C)[*:1] Cc1cc(C)cc(c1)-c1nnc(o1)Sc1nc(ns1)[*:1]
C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(OCC(F)F)n1 Fc1ccc(cc1)[*:1] CC(=C[*:1])C(=O)NCc1cccc(n1)OCC(F)F
C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(OCC(F)F)n1 FC(F)C[*:1] C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(n1)O[*:1]
C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(OCC(F)F)n1 FC(F)CO[*:1] C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(n1)[*:1]
C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(OCC(F)F)n1 FC(F)[*:1] C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(n1)OC[*:1]
O=C(COc1ccc(F)cc1F)NC[C@H](O)c1ccccc1Cl Clc1ccccc1[*:1] O=C(COc1ccc(F)cc1F)NC[C@H](O)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)C(C)C)C[S@@](=O)C3)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1nc2C[S@](=O)Cc2c1NC(=O)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)C(C)C)C[S@@](=O)C3)cc1 CC(C)C(=O)N[*:1] Cc1ccc(cc1)-n1nc2C[S@](=O)Cc2c1[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)C(C)C)C[S@@](=O)C3)cc1 Cc1ccc(cc1)[*:1] CC(C)C(=O)Nc1c2C[S@@](=O)Cc2nn1[*:1]
O=C(c1ccccc1)c1ccc2nc(Nc3ccccc3)c3nncn3c2c1 c1ccc(cc1)[*:1] O=C(c1ccccc1)c1ccc2nc(N[*:1])c3nncn3c2c1
O=C(c1ccccc1)c1ccc2nc(Nc3ccccc3)c3nncn3c2c1 c1ccc(cc1)[*:1] O=C(c1ccc2nc(Nc3ccccc3)c3nncn3c2c1)[*:1]
O=C(c1ccccc1)c1ccc2nc(Nc3ccccc3)c3nncn3c2c1 c1ccc(cc1)N[*:1] O=C(c1ccccc1)c1ccc2nc(c3nncn3c2c1)[*:1]
O=C(c1ccccc1)c1ccc2nc(Nc3ccccc3)c3nncn3c2c1 O=C(c1ccccc1)[*:1] c1ccc(cc1)Nc1nc2ccc(cc2n2cnnc12)[*:1]
O=C(C[C@@H](O)c1cccc(F)c1)Nc1cc(F)ccc1O Fc1cccc(c1)[*:1] O=C(C[C@@H](O)[*:1])Nc1cc(F)ccc1O
CC(C)c1nc(CSCc2ccnn2C)no1 CC(C)[*:1] Cn1nccc1CSCc1noc(n1)[*:1]
O=C(C1CCC1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 c1ccc(cc1)[*:1] O=C(C1CCC1)N1CCC[C@H]1c1nc2cc(ccc2o1)[*:1]
O=C(C1CCC1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 C1CC(C1)[*:1] O=C(N1CCC[C@H]1c1nc2cc(ccc2o1)-c1ccccc1)[*:1]
O=C(CC[C@@H]1NC(=O)NC1=O)NC1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CC[C@@H]1NC(=O)NC1=O)NC1CCN(CC1)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)cc1C Brc1ccc(o1)[*:1] Cc1ccc(cc1C)-n1nc2CSCc2c1NC(=O)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1c2CSCc2nn1[*:1])c1ccc(Br)o1
CCCn1ncnc1COc1ccc(C)nc1C[C@H](C)[NH3+] CCC[*:1] Cc1ccc(OCc2ncnn2[*:1])c(C[C@H](C)[NH3+])n1
CCSc1ccc(C(=O)N2CC[C@H](C)[C@H](O)C2)cn1 CCS[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1ccc(nc1)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)[C@@H](C)C#N O=C([O-])[*:1] C[C@H]1[C@H](CCN1S(=O)(=O)[C@@H](C)C#N)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)[C@@H](C)C#N C[C@@H](C#N)[*:1] C[C@H]1[C@@H](CCN1S(=O)(=O)[*:1])C(=O)[O-]
Cc1ccc(S(=O)(=O)OCCc2coc3ccccc23)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(OCCc1coc2ccccc12)[*:1]
COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)O[*:1]
CC[C@@H](Oc1ccccc1/C=C1\S/C(=N\c2cccc(O)c2)N(CC)C1=O)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](Oc1ccccc1/C=C1\S/C(=N\c2cccc(O)c2)N(CC)C1=O)[*:1]
CC[C@@H](Oc1ccccc1/C=C1\S/C(=N\c2cccc(O)c2)N(CC)C1=O)C(=O)[O-] Oc1cccc(c1)[*:1] CC[C@@H](Oc1ccccc1/C=C1\SC(=N[*:1])N(CC)C1=O)C(=O)[O-]
C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc2c(c1)OCCCO2 NC(=O)[*:1] C[C@@H]([NH2+]C[C@H]1CC[C@H](O1)[*:1])c1ccc2OCCCOc2c1
Cc1ccccc1Nc1nc(N)nc(COc2ccc(F)c(Cl)c2)n1 Cc1ccccc1[*:1] Nc1nc(COc2ccc(F)c(Cl)c2)nc(n1)N[*:1]
Cc1ccccc1Nc1nc(N)nc(COc2ccc(F)c(Cl)c2)n1 Cc1ccccc1N[*:1] Nc1nc(COc2ccc(F)c(Cl)c2)nc(n1)[*:1]
Cc1ccccc1Nc1nc(N)nc(COc2ccc(F)c(Cl)c2)n1 Fc1ccc(cc1Cl)[*:1] Cc1ccccc1Nc1nc(N)nc(CO[*:1])n1
CC(=O)Nc1ccc(OC(=O)/C=C/c2ccc(C(N)=O)cc2)cc1 CC(=O)N[*:1] NC(=O)c1ccc(/C=C/C(=O)Oc2ccc(cc2)[*:1])cc1
CC(=O)Nc1ccc(OC(=O)/C=C/c2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] CC(=O)Nc1ccc(cc1)OC(=O)/C=C/c1ccc(cc1)[*:1]
O=C([O-])c1ccc(-c2ccncc2)cn1 O=C([O-])[*:1] c1cc(ccn1)-c1ccc(nc1)[*:1]
O[C@H](c1c(F)c(F)c(F)c(F)c1F)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O[C@H](c1c(F)c(F)c(F)c(F)c1F)[*:1]
Cc1cccn2c(=O)c(C(=O)N[C@H]3CCN(C(=O)C(C)C)C3)cnc12 CC(C)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N[C@H]1CCN(C1)C(=O)[*:1]
O=C(NCCCS(=O)(=O)c1ccccc1)c1n[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(NCCCS(=O)(=O)[*:1])c1n[nH]c2ccccc12
C1=C(CC[NH2+]Cc2ccco2)CCCC1 c1coc(c1)[*:1] C1CCCCC=1CC[NH2+]C[*:1]
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cnc(-c2cccnc2)s1 Fc1ccc(cc1)[*:1] CCN(CC(=O)NC[*:1])C(=O)c1cnc(s1)-c1cccnc1
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cnc(-c2cccnc2)s1 Fc1ccc(cc1)C[*:1] CCN(CC(=O)N[*:1])C(=O)c1cnc(s1)-c1cccnc1
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cnc(-c2cccnc2)s1 c1cncc(c1)[*:1] CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cnc(s1)[*:1]
FC(F)(F)c1cccc2c1CCCC2 FC(F)(F)[*:1] c1cc2CCCCc2c(c1)[*:1]
CN(C)C(=O)CCCNC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CN(C)C(=O)CCCNC(=O)c1ccnc(c1)[*:1]
CN(C)C(=O)CCCNC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CN(C)C(=O)CCCNC(=O)c1ccnc(c1)O[*:1]
CN(C)C(=O)CCCNC(=O)c1ccnc(OC(C)(C)C)c1 CN(C)C(=O)C[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NCC[*:1]
CN(C)C(=O)CCCNC(=O)c1ccnc(OC(C)(C)C)c1 CN(C)C(=O)CC[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NC[*:1]
CN(C)C(=O)CCCNC(=O)c1ccnc(OC(C)(C)C)c1 CN(C)C(=O)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NCCC[*:1]
CN(C)c1cccc(C(=O)OCC(=O)C(C)(C)C)c1 CN(C)[*:1] CC(C)(C)C(=O)COC(=O)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)OCC(=O)C(C)(C)C)c1 CC(C)(C)[*:1] CN(C)c1cccc(c1)C(=O)OCC(=O)[*:1]
CN(C)c1cccc(C(=O)OCC(=O)C(C)(C)C)c1 CC(C)(C)C(=O)[*:1] CN(C)c1cccc(c1)C(=O)OC[*:1]
Cc1nsnc1Cn1nnc(C(=O)NC(C)C)c1C Cc1nsnc1[*:1] Cc1c(nnn1C[*:1])C(=O)NC(C)C
Cc1nsnc1Cn1nnc(C(=O)NC(C)C)c1C CC(C)[*:1] Cc1nsnc1Cn1nnc(C(=O)N[*:1])c1C
Cc1nsnc1Cn1nnc(C(=O)NC(C)C)c1C CC(C)NC(=O)[*:1] Cc1nsnc1Cn1nnc(c1C)[*:1]
CC(=O)Cc1nsc(N[C@@H](C)c2ccccc2)n1 c1ccc(cc1)[*:1] CC(=O)Cc1nsc(n1)N[C@@H](C)[*:1]
CC(=O)Cc1nsc(N[C@@H](C)c2ccccc2)n1 CC(=O)C[*:1] C[C@H](Nc1nc(ns1)[*:1])c1ccccc1
CC(=O)Cc1nsc(N[C@@H](C)c2ccccc2)n1 CC(=O)[*:1] C[C@H](Nc1nc(C[*:1])ns1)c1ccccc1
CCSc1nc2ccccc2c(=O)n1CCc1ccccc1 c1ccc(cc1)[*:1] CCSc1nc2ccccc2c(=O)n1CC[*:1]
CCSc1nc2ccccc2c(=O)n1CCc1ccccc1 CCS[*:1] O=c1c2ccccc2nc(n1CCc1ccccc1)[*:1]
CCSc1nc2ccccc2c(=O)n1CCc1ccccc1 c1ccc(cc1)C[*:1] CCSc1nc2ccccc2c(=O)n1C[*:1]
Cc1cc(C(=O)COC(=O)c2cc(Cl)c3c(c2)OCCCO3)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)COC(=O)c2cc(Cl)c3OCCCOc3c2)c(C)n1[*:1]
COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+](C)C)cc1 O=[N+]([O-])c1ccc(o1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+](C)C
COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+](C)C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1ccc(o1)[*:1])[NH+](C)C
COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(o1)[N+](=O)[O-])[*:1]
CCOC(=O)NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CC[C@H](C)C2 CCOC(=O)NC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)Cc1ccc(F)cc1)c2[*:1]
CCOC(=O)NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CC[C@H](C)C2 Fc1ccc(cc1)C[*:1] CCOC(=O)NC(=O)c1c(NC(=O)[*:1])sc2C[C@@H](C)CCc21
CCOC(=O)NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CC[C@H](C)C2 Fc1ccc(cc1)[*:1] CCOC(=O)NC(=O)c1c(NC(=O)C[*:1])sc2C[C@@H](C)CCc21
CC(C)n1cnnc1SCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] CC(C)n1cnnc1SCC(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
CC(C)n1cnnc1SCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CC(C)n1cnnc1[*:1] Cn1c(nc2cc(ccc21)NC(=O)CS[*:1])C1CC1
CC(C)n1cnnc1SCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CC(C)[*:1] Cn1c(nc2cc(ccc21)NC(=O)CSc1nncn1[*:1])C1CC1
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OC C1CN(CCO1)CC[*:1] COc1ccc(cc1OC)[C@@H]1C(C#N)=C(N)Oc2cc(C)n(c(=O)c21)[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OC C1CN(CCO1)[*:1] COc1ccc(cc1OC)[C@@H]1C(C#N)=C(N)Oc2cc(C)n(CC[*:1])c(=O)c21
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OC C1CN(CCO1)C[*:1] COc1ccc(cc1OC)[C@@H]1C(C#N)=C(N)Oc2cc(C)n(C[*:1])c(=O)c21
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c2c(=O)n1CCN1CCOCC1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(CC1)C[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N1CCC(CC1)Cc1ccccc1
C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(CC1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1 Clc1cccc(c1)O[*:1] C[C@H](C(=O)N1CCC(CC1)Cc1ccccc1)[*:1]
COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc(C)nn32)cc(OC)c1OC O=C(Nc1ccc(F)cc1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1C(=C(C)Nc2nc(C)nn21)[*:1]
COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc(C)nn32)cc(OC)c1OC Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1C(C(=O)N[*:1])=C(C)Nc2nc(C)nn21
CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 CC[C@@H](C)[*:1] O[C@@H](C[NH2+][C@@H](c1cccs1)C1CC1)[*:1]
CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 C1CC1[*:1] CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](c1cccs1)[*:1]
CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 c1csc(c1)[*:1] CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C1CC1)[*:1]
CSc1cc(-c2cccs2)oc(=O)c1C#N c1csc(c1)[*:1] CSc1cc(oc(=O)c1C#N)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)NS(C)(=O)=O)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] CS(=O)(=O)N[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)[*:1])C(=O)[O-]
CC(C)[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] CC(C)[*:1] CS(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](C(=O)[O-])[*:1]
CCCn1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cn1 c1ccc(cc1)[*:1] CCCn1cc(cn1)NC(=O)c1cc2nc(cc(n2n1)[*:1])-c1ccccc1
CCCn1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cn1 c1ccc(cc1)[*:1] CCCn1cc(cn1)NC(=O)c1cc2nc(cc(-c3ccccc3)n2n1)[*:1]
CCCn1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cn1 CCCn1cc(cn1)[*:1] O=C(N[*:1])c1cc2nc(cc(-c3ccccc3)n2n1)-c1ccccc1
CCCn1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cn1 CCC[*:1] O=C(Nc1cnn(c1)[*:1])c1cc2nc(cc(-c3ccccc3)n2n1)-c1ccccc1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCCc2ccccc21
C=CCN(CC=C)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] C=CCN(CC=C)C(=O)C1CCN(CC1)C(=O)[*:1]
C=CCN(CC=C)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 C=CC[*:1] C=CCN(C(=O)C1CCN(CC1)C(=O)C(C)(C)C)[*:1]
COc1cc(C(=O)Nc2ccccc2Oc2ccccc2)on1 c1ccc(cc1)O[*:1] COc1cc(on1)C(=O)Nc1ccccc1[*:1]
COc1cc(C(=O)Nc2ccccc2Oc2ccccc2)on1 COc1cc(on1)[*:1] O=C(Nc1ccccc1Oc1ccccc1)[*:1]
COc1cc(C(=O)Nc2ccccc2Oc2ccccc2)on1 c1ccc(cc1)[*:1] COc1cc(on1)C(=O)Nc1ccccc1O[*:1]
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] COc1ccc(cc1NC(=O)C=C[*:1])S(=O)(=O)N1CCOCC1
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccc(F)c(Cl)c1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1NC(=O)/C=C/c1ccc(F)c(Cl)c1)[*:1]
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccc(F)c(Cl)c1 Fc1ccc(C=C[*:1])cc1Cl COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(F)c(C[NH+]2CCC(C(=O)NC(C)C)CC2)c1 CC(C)NC(=O)[*:1] Cc1ccc(F)c(c1)C[NH+]1CCC(CC1)[*:1]
Cc1ccc(F)c(C[NH+]2CCC(C(=O)NC(C)C)CC2)c1 CC(C)[*:1] Cc1ccc(F)c(c1)C[NH+]1CCC(CC1)C(=O)N[*:1]
CCn1nc(C)c(CNC(=O)[C@H]2[NH+]=c3ccccc3=C2NC(=O)c2cccc(C)c2)c1C CCn1nc(C)c(C[*:1])c1C Cc1cccc(c1)C(=O)NC1=c2ccccc2=[NH+][C@@H]1C(=O)N[*:1]
CCn1nc(C)c(CNC(=O)[C@H]2[NH+]=c3ccccc3=C2NC(=O)c2cccc(C)c2)c1C Cc1cccc(c1)C(=O)N[*:1] CCn1nc(C)c(CNC(=O)[C@H]2[NH+]=c3ccccc3=C2[*:1])c1C
CCn1nc(C)c(CNC(=O)[C@H]2[NH+]=c3ccccc3=C2NC(=O)c2cccc(C)c2)c1C Cc1cccc(c1)[*:1] CCn1nc(C)c(CNC(=O)[C@H]2[NH+]=c3ccccc3=C2NC(=O)[*:1])c1C
CCn1nc(C)c(CNC(=O)[C@H]2[NH+]=c3ccccc3=C2NC(=O)c2cccc(C)c2)c1C CCn1nc(C)c(c1C)[*:1] Cc1cccc(c1)C(=O)NC1=c2ccccc2=[NH+][C@@H]1C(=O)NC[*:1]
COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3F)C2)c2ccccc12 Fc1ccc(Cl)cc1[*:1] COc1ccc(C(=O)N2CCC[C@@H](C2)C(=O)N[*:1])c2ccccc12
CCc1ccc(/C=C(\C#N)C(N)=O)s1 NC(=O)[*:1] CCc1ccc(C=C(C#N)[*:1])s1
COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1C(=O)Nc2ccccc2[C@]1(O)C(=O)NC[*:1]
COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccccc2)c1 O=C(NCc1ccccc1)[*:1] COc1cccc(c1)N1C(=O)Nc2ccccc2[C@@]1(O)[*:1]
COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)N1C(=O)Nc2ccccc2[C@]1(O)C(=O)N[*:1]
COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccccc2)c1 COc1cccc(c1)[*:1] O=C1Nc2ccccc2[C@](O)(C(=O)NCc2ccccc2)N1[*:1]
COC(=O)c1sccc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C COC(=O)[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccsc1[*:1]
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2ccc(Cn3cccn3)cc2)c1 CNS(=O)(=O)[*:1] C[C@H](NC(=O)c1ccc(cc1)Cn1cccn1)c1cccc(c1)[*:1]
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2ccc(Cn3cccn3)cc2)c1 c1cnn(c1)[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)NC(=O)c1ccc(cc1)C[*:1]
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2ccc(Cn3cccn3)cc2)c1 c1cnn(c1)C[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
CC[NH2+][C@@]1(C(=O)OC)CCC[C@@H](Oc2ccccc2)C1 c1ccc(cc1)[*:1] CC[NH2+][C@]1(CCC[C@H](C1)O[*:1])C(=O)OC
CC[NH2+][C@@]1(C(=O)OC)CCC[C@@H](Oc2ccccc2)C1 COC(=O)[*:1] CC[NH2+][C@]1(CCC[C@H](C1)Oc1ccccc1)[*:1]
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CC(C)(C)C1(C)C COCCC[*:1] Cc1c(C#N)c(NC(=O)C[NH+]2CC(C)(C)C2(C)C)n(c1C)[*:1]
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CC(C)(C)C1(C)C COCC[*:1] Cc1c(C#N)c(NC(=O)C[NH+]2CC(C)(C)C2(C)C)n(C[*:1])c1C
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CC(C)(C)C1(C)C COC[*:1] Cc1c(C#N)c(NC(=O)C[NH+]2CC(C)(C)C2(C)C)n(CC[*:1])c1C
Cc1c(F)cc(N)cc1S(=O)(=O)NCC(N)=O NC(=O)C[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)N[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)NCC(N)=O NC(=O)[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)NC[*:1]
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCCCO)C(=O)C2 OCC[*:1] CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NC[*:1])C(=O)C2
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCCCO)C(=O)C2 OCCC[*:1] CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[*:1])C(=O)C2
COc1ccc(-n2ccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-n1ccc(CNC(=O)c2cc(Cl)ccc2[*:1])n1
COc1ccc(-n2ccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccn(n1)[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
CN(CC[NH+](C)C)C(=O)C[C@H]1COCCN1C(=O)c1ccc2[nH]nnc2c1 c1cc2[nH]nnc2cc1[*:1] CN(CC[NH+](C)C)C(=O)C[C@H]1COCCN1C(=O)[*:1]
CC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1nnc(-c2ccccc2)n1 Fc1ccc(cc1)[*:1] CC[C@H](N(C)C(=O)Cn1nnc(n1)-c1ccccc1)[*:1]
CC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1nnc(n1)[*:1]
O=C(Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1)Nc1nccs1 O=C(Nc1nccs1)[*:1] FC(F)(F)Oc1ccc(cc1)-c1noc(n1)-c1cccn1C[*:1]
O=C(Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1)Nc1nccs1 O=C(C[*:1])Nc1nccs1 FC(F)(F)Oc1ccc(cc1)-c1noc(n1)-c1cccn1[*:1]
O=C(Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1)Nc1nccs1 c1csc(n1)[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(cc1)OC(F)(F)F)N[*:1]
O=C(Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1)Nc1nccs1 FC(F)(F)[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(cc1)O[*:1])Nc1nccs1
O=C(Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1)Nc1nccs1 FC(F)(F)O[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(cc1)[*:1])Nc1nccs1
CCc1nsc(Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)n1 CCc1nsc(n1)[*:1] CC[NH+]1CCN(CC1)C(=O)Cc1ccc(cc1)N[*:1]
CCc1nsc(Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)n1 CCc1nsc(n1)N[*:1] CC[NH+]1CCN(CC1)C(=O)Cc1ccc(cc1)[*:1]
CS[C@@H]1CC[C@H](NC(=O)/C=C(/C)c2ccccc2)C1 c1ccc(cc1)[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)C=C(C)[*:1]
Cc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@](C)(C#N)C1CC1 C1CC1[*:1] Cc1ccc(cc1NCC(=O)N[C@](C)(C#N)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@](C)(C#N)C1CC1 O=[N+]([O-])[*:1] Cc1ccc(cc1NCC(=O)N[C@](C)(C#N)C1CC1)[*:1]
c1ccc(COC2CC[NH+](Cc3cccnc3)CC2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)COC1CC[NH+](CC1)C[*:1]
c1ccc(COC2CC[NH+](Cc3cccnc3)CC2)cc1 c1cncc(c1)C[*:1] c1ccc(cc1)COC1CC[NH+](CC1)[*:1]
c1ccc(COC2CC[NH+](Cc3cccnc3)CC2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)C[NH+]1CCC(CC1)OC[*:1]
c1ccc(COC2CC[NH+](Cc3cccnc3)CC2)cc1 c1ccc(cc1)C[*:1] c1cncc(c1)C[NH+]1CCC(CC1)O[*:1]
COC(=O)CNC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C O=C(C[*:1])N1CCCCC1 COC(=O)CNC(=O)c1sc2ncn(c(=O)c2c1C)[*:1]
COC(=O)CNC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C COC(=O)C[*:1] Cc1c(sc2ncn(CC(=O)N3CCCCC3)c(=O)c12)C(=O)N[*:1]
COC(=O)CNC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C COC(=O)CNC(=O)[*:1] Cc1c(sc2ncn(CC(=O)N3CCCCC3)c(=O)c12)[*:1]
COC(=O)CNC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C COC(=O)[*:1] Cc1c(sc2ncn(CC(=O)N3CCCCC3)c(=O)c12)C(=O)NC[*:1]
COC(=O)CNC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C O=C(N1CCCCC1)[*:1] COC(=O)CNC(=O)c1sc2ncn(C[*:1])c(=O)c2c1C
CC(C)CCNC(=O)[C@@H](C)Oc1ccc(N)cc1C(=O)[O-] CC(C)C[*:1] C[C@@H](Oc1ccc(N)cc1C(=O)[O-])C(=O)NC[*:1]
CC(C)CCNC(=O)[C@@H](C)Oc1ccc(N)cc1C(=O)[O-] O=C([O-])[*:1] CC(C)CCNC(=O)[C@@H](C)Oc1ccc(N)cc1[*:1]
CC(C)CCNC(=O)[C@@H](C)Oc1ccc(N)cc1C(=O)[O-] CC(C)[*:1] C[C@@H](Oc1ccc(N)cc1C(=O)[O-])C(=O)NCC[*:1]
CC(C)CCNC(=O)[C@@H](C)Oc1ccc(N)cc1C(=O)[O-] CC(C)CC[*:1] C[C@@H](Oc1ccc(N)cc1C(=O)[O-])C(=O)N[*:1]
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cccc(O)c1 CCN(CC)C(=O)[*:1] [NH3+][C@@H]1C[C@H](N(C1)C(=O)Cc1cccc(O)c1)[*:1]
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cccc(O)c1 Oc1cccc(c1)[*:1] CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[*:1]
COc1ccc(F)cc1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 Cc1ccc(o1)[*:1] COc1ccc(F)cc1NC(=O)N1CCO[C@H](C1)[*:1]
COc1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nnc(o1)SCC(=O)[*:1]
CC(C)=CC(=O)NCCC1CCN(c2cc[nH+]cc2)CC1 CC(C)=CC(=O)N[*:1] c1cc(cc[nH+]1)N1CCC(CC1)CC[*:1]
CC(C)=CC(=O)NCCC1CCN(c2cc[nH+]cc2)CC1 CC(C)=C[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
O=C(CCCc1nc(-c2cccnc2)no1)N1CCC[C@@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(CCCc1nc(no1)-c1cccnc1)N1CCC[C@@H](C1)[*:1]
O=C(CCCc1nc(-c2cccnc2)no1)N1CCC[C@@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CCCc1nc(no1)-c1cccnc1)N1CCC[C@H](C1)C[*:1]
O=C(CCCc1nc(-c2cccnc2)no1)N1CCC[C@@H](Cc2ccccc2)C1 c1cncc(c1)[*:1] O=C(CCCc1nc(no1)[*:1])N1CCC[C@@H](Cc2ccccc2)C1
Cn1nc(NC(=O)c2cccc(F)c2)c2c1NC(=O)C[C@@H]2c1ccccc1 Fc1cccc(c1)[*:1] Cn1nc(NC(=O)[*:1])c2c1NC(=O)C[C@@H]2c1ccccc1
Cn1nc(NC(=O)c2cccc(F)c2)c2c1NC(=O)C[C@@H]2c1ccccc1 c1ccc(cc1)[*:1] Cn1nc(NC(=O)c2cccc(F)c2)c2c1NC(=O)C[C@H]2[*:1]
O=C(CSc1ccncc1)NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1 c1cc(ccn1)SC[*:1] O=C(NCCN1Cc2ccccc2O[C@H](C1)c1ccccc1)[*:1]
O=C(CSc1ccncc1)NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1 c1cc(ccn1)[*:1] O=C(CS[*:1])NCCN1Cc2ccccc2O[C@H](C1)c1ccccc1
O=C(CSc1ccncc1)NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1 c1cc(ccn1)S[*:1] O=C(C[*:1])NCCN1Cc2ccccc2O[C@H](C1)c1ccccc1
O=C(CSc1ccncc1)NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CSc1ccncc1)NCCN1Cc2ccccc2O[C@@H](C1)[*:1]
C[C@@H]1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)[C@H](C)C1 C1C[C@H](CO1)[*:1] C[C@@H]1CCN(C(=O)Nc2ccc(cc2)O[*:1])[C@H](C)C1
C[C@@H]1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)[C@H](C)C1 C1C[C@H](CO1)O[*:1] C[C@@H]1CCN(C(=O)Nc2ccc(cc2)[*:1])[C@H](C)C1
CC[C@H](C)[C@H](C)[NH2+]Cc1ncccc1F CC[C@H](C)[*:1] C[C@H]([NH2+]Cc1ncccc1F)[*:1]
C#CC(C)(C)NC(=O)c1ccc(OC)c(O)c1 C#CC(C)(C)[*:1] COc1ccc(cc1O)C(=O)N[*:1]
COc1cc([N+](=O)[O-])ccc1OCc1nc(-c2cccs2)no1 O=[N+]([O-])[*:1] COc1cc(ccc1OCc1nc(no1)-c1cccs1)[*:1]
COc1cc([N+](=O)[O-])ccc1OCc1nc(-c2cccs2)no1 c1csc(c1)[*:1] COc1cc(ccc1OCc1nc(no1)[*:1])[N+](=O)[O-]
Cn1nc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1-c1ccncc1 FC(F)(F)[*:1] Cn1nc(cc1-c1ccncc1)CNC(=O)Nc1ccccc1[*:1]
Cn1nc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1-c1ccncc1 c1cc(ccn1)[*:1] Cn1nc(cc1[*:1])CNC(=O)Nc1ccccc1C(F)(F)F
CC[NH2+]C[C@H](Cc1cscn1)c1cccc(F)c1 c1nc(cs1)C[*:1] CC[NH2+]C[C@H](c1cccc(F)c1)[*:1]
CC[NH2+]C[C@H](Cc1cscn1)c1cccc(F)c1 c1nc(cs1)[*:1] CC[NH2+]C[C@H](C[*:1])c1cccc(F)c1
CCCCS(=O)(=O)N1CCN(c2ccc(-n3ccnc3C)nn2)CC1 CCC[*:1] Cc1nccn1-c1ccc(nn1)N1CCN(CC1)S(=O)(=O)C[*:1]
CCCCS(=O)(=O)N1CCN(c2ccc(-n3ccnc3C)nn2)CC1 CCCC[*:1] Cc1nccn1-c1ccc(nn1)N1CCN(CC1)S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCN(c2ccc(-n3ccnc3C)nn2)CC1 Cc1nccn1[*:1] CCCCS(=O)(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
O=C(c1cc2ccccc2o1)N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1 c1ccc2oc(cc2c1)[*:1] O=C(N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1)[*:1]
C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(Cl)nc1Cl N#CC[*:1] C[C@H](Sc1ccccc1NC(=O)c1ccc(Cl)nc1Cl)[*:1]
COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccccc2C)cn1C Cc1ccccc1[*:1] COC(=O)c1cc(cn1C)S(=O)(=O)N[C@H](C)[*:1]
COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccccc2C)cn1C COC(=O)[*:1] Cc1ccccc1[C@@H](C)NS(=O)(=O)c1cc(n(C)c1)[*:1]
Cc1cnn(CC(=O)[C@@H](C#N)c2nc([O-])c3ccc(Cl)cc3n2)c1 Cc1cnn(c1)C[*:1] N#C[C@H](C(=O)[*:1])c1nc([O-])c2ccc(Cl)cc2n1
Cc1cnn(CC(=O)[C@@H](C#N)c2nc([O-])c3ccc(Cl)cc3n2)c1 Cc1cnn(c1)[*:1] N#C[C@H](C(=O)C[*:1])c1nc([O-])c2ccc(Cl)cc2n1
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1cc(C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1cc(C)ccc1[*:1]
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1cc(C)ccc1[N+](=O)[O-] COc1ccc(C)cc1[*:1] Cc1ccc(c(c1)N1CCC[C@@H]1C(=O)N[*:1])[N+](=O)[O-]
Cc1ccc2c(c1)N(C(=O)C[C@H](O)c1ccc(Cl)cc1)CC2 Clc1ccc(cc1)[*:1] Cc1ccc2CCN(C(=O)C[C@H](O)[*:1])c2c1
CC(=O)c1cc(CN2CCC3=NN=C(c4ccccc4F)[C@@H]3C2)cs1 CC(=O)c1cc(cs1)[*:1] Fc1ccccc1C1=NN=C2CCN(C[C@H]21)C[*:1]
CC(=O)c1cc(CN2CCC3=NN=C(c4ccccc4F)[C@@H]3C2)cs1 Fc1ccccc1[*:1] CC(=O)c1cc(cs1)CN1CCC2=NN=C([C@@H]2C1)[*:1]
CC(=O)c1cc(CN2CCC3=NN=C(c4ccccc4F)[C@@H]3C2)cs1 CC(=O)[*:1] Fc1ccccc1C1=NN=C2CCN(Cc3csc(c3)[*:1])C[C@H]21
C[C@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)[C@@H](C)CO C[C@@H](CO)[*:1] C[C@H](Nc1ccc(cn1)S(=O)(=O)N1CCCCC1)[*:1]
COCCn1nc(C)c(NC(=O)N2CCC[C@H]2c2cccc(C)c2)c1C Cc1cccc(c1)[*:1] COCCn1nc(C)c(NC(=O)N2CCC[C@@H]2[*:1])c1C
COCCn1nc(C)c(NC(=O)N2CCC[C@H]2c2cccc(C)c2)c1C COCC[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1c(C)nn(c1C)[*:1]
COCCn1nc(C)c(NC(=O)N2CCC[C@H]2c2cccc(C)c2)c1C COC[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1c(C)nn(C[*:1])c1C
Fc1ccc(Oc2ccnc(Sc3nnc(-c4cccs4)o3)n2)cc1 Fc1ccc(cc1)O[*:1] c1csc(c1)-c1nnc(o1)Sc1nccc(n1)[*:1]
Fc1ccc(Oc2ccnc(Sc3nnc(-c4cccs4)o3)n2)cc1 Fc1ccc(cc1)[*:1] c1csc(c1)-c1nnc(o1)Sc1nccc(n1)O[*:1]
Fc1ccc(Oc2ccnc(Sc3nnc(-c4cccs4)o3)n2)cc1 c1csc(c1)[*:1] Fc1ccc(cc1)Oc1ccnc(n1)Sc1nnc(o1)[*:1]
N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CSCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12
N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1 c1ccc(cc1)C[*:1] N#Cc1ccc(cc1)NC(=O)[C@@H]1CSCN1C(=O)c1cn(c2ccccc12)[*:1]
N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1 N#Cc1ccc(cc1)NC(=O)[*:1] O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CSC[C@H]1[*:1]
N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)[C@@H]1CSCN1C(=O)c1cn(C[*:1])c2ccccc12
CC[C@@H](C)n1nccc1NC(=O)C(=O)N1CCc2cc(F)ccc2C1 CC[C@@H](C)[*:1] O=C(Nc1ccnn1[*:1])C(=O)N1CCc2cc(F)ccc2C1
Cc1ccc(-c2cnc(CCC(=O)N(C)C3CCOCC3)o2)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)CCc1ncc(o1)[*:1])C1CCOCC1
Cc1ccc(-c2cnc(CCC(=O)N(C)C3CCOCC3)o2)cc1 C1CC(CCO1)[*:1] Cc1ccc(cc1)-c1cnc(CCC(=O)N(C)[*:1])o1
C[C@H](CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O)Oc1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccc([nH]c1=O)[*:1])Oc1ccc(F)cc1
C[C@H](CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccc([nH]c1=O)-c1ccccc1)O[*:1]
C[C@H](CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C[C@H](CNC(=O)c1ccc([nH]c1=O)-c1ccccc1)[*:1]
CCOC(=O)c1c(NC(=O)[C@H]2CCCN2S(C)(=O)=O)sc2ccccc12 CCOC(=O)[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1sc2ccccc2c1[*:1]
Cc1ccccc1-c1nn(CN2CCCc3ccc(S(C)(=O)=O)cc32)c(=S)o1 Cc1ccccc1[*:1] CS(=O)(=O)c1ccc2CCCN(Cn3nc(oc3=S)[*:1])c2c1
Cc1ccccc1-c1nn(CN2CCCc3ccc(S(C)(=O)=O)cc32)c(=S)o1 CS(=O)(=O)[*:1] Cc1ccccc1-c1nn(CN2CCCc3ccc(cc32)[*:1])c(=S)o1
CCOc1cccc([C@H](C)NC[C@@](C)(O)c2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] CCOc1cccc(c1)[C@H](C)NC[C@@](C)(O)[*:1]
CCOc1cccc([C@H](C)NC[C@@](C)(O)c2ccc(F)cc2F)c1 CCO[*:1] C[C@H](NC[C@@](C)(O)c1ccc(F)cc1F)c1cccc(c1)[*:1]
O=C(Nc1ccccc1)NC1CCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 c1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F)N[*:1]
O=C(Nc1ccccc1)NC1CCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(Nc1ccccc1)NC1CCN(CC1)C(=O)[C@H]1CCCC[C@@H]1[*:1]
Cc1ccc(-c2nc3nc(CN4CC[NH+](C)CC4)cc([O-])n3n2)cc1 Cc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)Cc1cc([O-])n2nc(nc2n1)[*:1]
C[C@@](O)(CNC(=O)C1CCCC1)c1cccs1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)C1CCCC1)[*:1]
C[C@@](O)(CNC(=O)C1CCCC1)c1cccs1 C1CCC(C1)[*:1] C[C@@](O)(CNC(=O)[*:1])c1cccs1
O[C@H](CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)CN1CCOCC1 C1CC1[*:1] O[C@H](CSc1nnc(-c2c[nH]c3ccccc23)n1[*:1])CN1CCOCC1
O[C@H](CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)CN1CCOCC1 C1CN(CCO1)[*:1] O[C@H](CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C[*:1]
O[C@H](CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)CN1CCOCC1 c1ccc2c(c[nH]c2c1)[*:1] O[C@H](CSc1nnc(n1C1CC1)[*:1])CN1CCOCC1
O[C@H](CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)CN1CCOCC1 C1CN(CCO1)C[*:1] O[C@H](CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)[*:1]
O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 c1csc(c1)[*:1] O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@@H]1Cn1nnc(n1)[*:1]
COc1ccc(S(=O)(=O)Oc2ccc(C(C)=O)cc2OC)cc1 CC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1OC)[*:1]
O=C(C1CC1)N1CCC[C@H](Cn2cc[nH+]c2-c2cc3n(n2)CC[NH2+]C3)C1 C1CC1[*:1] O=C(N1CCC[C@@H](C1)Cn1cc[nH+]c1-c1cc2C[NH2+]CCn2n1)[*:1]
O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)C1 O=[N+]([O-])[*:1] O=C(CCNc1ccccc1[*:1])N1CCC[C@H](C1)[NH+]1CCCC1
O=C(COC(=O)c1ccc(Cl)nc1)NC(=O)Nc1ccc2c(c1)OCCO2 Clc1ccc(cn1)[*:1] O=C(COC(=O)[*:1])NC(=O)Nc1ccc2OCCOc2c1
CCC[C@@H]1C[C@H]1NC(=O)C1(c2ccc(F)cc2F)CCOCC1 CCC[*:1] O=C(N[C@@H]1C[C@H]1[*:1])C1(CCOCC1)c1ccc(F)cc1F
C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 c1csc(c1)[*:1] C[C@@H](Sc1nnc(n1-c1ccccc1)[*:1])C(=O)N1CC(=O)Nc2ccccc21
C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(-c2cccs2)n1[*:1])C(=O)N1CC(=O)Nc2ccccc21
C[C@H](NC(=O)NCCC[S@](C)=O)c1ccc(Cl)s1 C[S@](=O)[*:1] C[C@H](NC(=O)NCCC[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NCCC[S@](C)=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)NCCC[S@](C)=O)[*:1]
C[C@H](NC(=O)NCCC[S@](C)=O)c1ccc(Cl)s1 C[S@](=O)CCC[*:1] C[C@H](NC(=O)N[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NCCC[S@](C)=O)c1ccc(Cl)s1 C[S@](=O)C[*:1] C[C@H](NC(=O)NCC[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NCCC[S@](C)=O)c1ccc(Cl)s1 C[S@](=O)CC[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(Cl)s1
O=C(Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21)NC[*:1]
O=C(Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21)NCCc1ccccc1 c1cc(ccn1)C[*:1] O=C(Cn1c(=O)c(=O)n(c2ncccc21)[*:1])NCCc1ccccc1
O=C(Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21)NCC[*:1]
O=C(Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21)N[*:1]
O=C(Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21)NCCc1ccccc1 c1cc(ccn1)[*:1] O=C(Cn1c(=O)c(=O)n(C[*:1])c2ncccc21)NCCc1ccccc1
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(F)c(F)c1F)c1ccc(cc1)[*:1]
CC(C)[C@@H](CNC(=O)N1CCc2ccc(Cl)cc2C1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H](CNC(=O)N1CCc2ccc(Cl)cc2C1)[*:1]
CC(C)[C@@H](CNC(=O)N1CCc2ccc(Cl)cc2C1)c1cccnc1 CC(C)[*:1] O=C(NC[C@@H](c1cccnc1)[*:1])N1CCc2ccc(Cl)cc2C1
CCCOc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N CCCO[*:1] Nc1c(ncnc1[*:1])Nc1cc(Cl)cc(Cl)c1
CCCOc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N CCC[*:1] Nc1c(ncnc1O[*:1])Nc1cc(Cl)cc(Cl)c1
CC(=O)Nc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1 Cc1ccc(cc1C)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1nnn(c1C)[*:1]
CC(=O)Nc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1 CC(=O)N[*:1] Cc1ccc(cc1C)-n1nnc(C(=O)Nc2ccc(cc2)[*:1])c1C
CCOc1ccc([C@H]2CCCN2C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 CCO[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2ccc(cc2)[*:1])c1C
CCOc1ccc([C@H]2CCCN2C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 CC(=O)[*:1] CCOc1ccc(cc1)[C@H]1CCCN1C(=O)c1[nH]c(C)c(c1C)[*:1]
CC(C)CONc1ncnc2sc3c(c12)CCC3 CC(C)[*:1] c1nc(NOC[*:1])c2c3CCCc3sc2n1
CC(C)CONc1ncnc2sc3c(c12)CCC3 CC(C)C[*:1] c1nc(NO[*:1])c2c3CCCc3sc2n1
CC(C)CONc1ncnc2sc3c(c12)CCC3 CC(C)CON[*:1] c1nc(c2c3CCCc3sc2n1)[*:1]
CC(C)[C@@H](ON1C(=O)c2ccccc2C1=O)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H](ON1C(=O)c2ccccc2C1=O)[*:1]
CC(C)[C@@H](ON1C(=O)c2ccccc2C1=O)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](ON1C(=O)c2ccccc2C1=O)[*:1]
COC(=O)[C@@H](c1ccccc1Cl)N1CCCSCC1 COC(=O)[*:1] Clc1ccccc1[C@@H](N1CCCSCC1)[*:1]
O=C(Nc1nc2ccc(F)cc2s1)c1cc(-c2ccccc2O)[nH]n1 Oc1ccccc1[*:1] O=C(Nc1nc2ccc(F)cc2s1)c1cc([nH]n1)[*:1]
C/C(=N\Nc1ncnc2sc(C)c(C)c12)c1cccc(OC(F)F)c1 FC(F)[*:1] C/C(=N\Nc1ncnc2sc(C)c(C)c12)c1cccc(c1)O[*:1]
C/C(=N\Nc1ncnc2sc(C)c(C)c12)c1cccc(OC(F)F)c1 FC(F)O[*:1] C/C(=N\Nc1ncnc2sc(C)c(C)c12)c1cccc(c1)[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)/C=C/c2ccnc(Cl)c2)C1 CC(C)C[*:1] O=C(/C=C/c1ccnc(Cl)c1)NC[C@H]1CN(CCO1)[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)/C=C/c2ccnc(Cl)c2)C1 CC(C)[*:1] O=C(/C=C/c1ccnc(Cl)c1)NC[C@H]1CN(CCO1)C[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)/C=C/c2ccnc(Cl)c2)C1 Clc1cc(ccn1)[*:1] CC(C)CN1CCO[C@@H](CNC(=O)C=C[*:1])C1
Cc1cc(F)ccc1CCNC(=O)Cc1c[nH]c2c(C)cccc12 Cc1cc(F)ccc1[*:1] Cc1cccc2c(c[nH]c12)CC(=O)NCC[*:1]
NC(=O)[C@@H]1CCCN(C(=O)Cn2nc(-c3cccs3)oc2=O)C1 NC(=O)[*:1] O=C(Cn1nc(oc1=O)-c1cccs1)N1CCC[C@H](C1)[*:1]
NC(=O)[C@@H]1CCCN(C(=O)Cn2nc(-c3cccs3)oc2=O)C1 c1csc(c1)[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)Cn1nc(oc1=O)[*:1]
CCCCCn1c(SCC(=O)[O-])nc2ccccc2c1=O CCCCC[*:1] O=C([O-])CSc1nc2ccccc2c(=O)n1[*:1]
CCCCCn1c(SCC(=O)[O-])nc2ccccc2c1=O CCCC[*:1] O=C([O-])CSc1nc2ccccc2c(=O)n1C[*:1]
CCCCCn1c(SCC(=O)[O-])nc2ccccc2c1=O CCC[*:1] O=C([O-])CSc1nc2ccccc2c(=O)n1CC[*:1]
CCCCCn1c(SCC(=O)[O-])nc2ccccc2c1=O O=C([O-])CS[*:1] CCCCCn1c(nc2ccccc2c1=O)[*:1]
CCCCCn1c(SCC(=O)[O-])nc2ccccc2c1=O O=C([O-])[*:1] CCCCCn1c(nc2ccccc2c1=O)SC[*:1]
CCCCCn1c(SCC(=O)[O-])nc2ccccc2c1=O O=C([O-])C[*:1] CCCCCn1c(nc2ccccc2c1=O)S[*:1]
Cc1ccc2nc(NC(=O)c3ccc(OCc4nc(-c5ccco5)cs4)cc3)sc2c1 c1coc(c1)-c1csc(n1)[*:1] Cc1ccc2nc(NC(=O)c3ccc(cc3)OC[*:1])sc2c1
Cc1ccc2nc(NC(=O)c3ccc(OCc4nc(-c5ccco5)cs4)cc3)sc2c1 c1coc(c1)[*:1] Cc1ccc2nc(NC(=O)c3ccc(cc3)OCc3nc(cs3)[*:1])sc2c1
Cc1ccc2nc(NC(=O)c3ccc(OCc4nc(-c5ccco5)cs4)cc3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] O=C(N[*:1])c1ccc(cc1)OCc1nc(cs1)-c1ccco1
COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NC3CC3)n2)CC1 O=C(C[*:1])NC1CC1 COc1ccccc1N1CCN(CC1)c1ccc(=O)n(n1)[*:1]
COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NC3CC3)n2)CC1 COc1ccccc1[*:1] O=C(Cn1nc(ccc1=O)N1CCN(CC1)[*:1])NC1CC1
COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NC3CC3)n2)CC1 C1CC1[*:1] COc1ccccc1N1CCN(CC1)c1ccc(=O)n(CC(=O)N[*:1])n1
COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NC3CC3)n2)CC1 O=C(NC1CC1)[*:1] COc1ccccc1N1CCN(CC1)c1ccc(=O)n(C[*:1])n1
C/C(=C/C(=O)N[C@@H](C)c1c(C)noc1C)c1ccccc1OC(F)F FC(F)O[*:1] C/C(=C/C(=O)N[C@@H](C)c1c(C)noc1C)c1ccccc1[*:1]
C/C(=C/C(=O)N[C@@H](C)c1c(C)noc1C)c1ccccc1OC(F)F FC(F)[*:1] C/C(=C/C(=O)N[C@@H](C)c1c(C)noc1C)c1ccccc1O[*:1]
C/C(=C/C(=O)N[C@@H](C)c1c(C)noc1C)c1ccccc1OC(F)F Cc1noc(C)c1[*:1] C/C(=C/C(=O)N[C@@H](C)[*:1])c1ccccc1OC(F)F
COCCn1nc(C)c(NC(=O)N2CC[C@H](Cc3ccccc3)C2)c1C c1ccc(cc1)C[*:1] COCCn1nc(C)c(NC(=O)N2CC[C@H](C2)[*:1])c1C
COCCn1nc(C)c(NC(=O)N2CC[C@H](Cc3ccccc3)C2)c1C c1ccc(cc1)[*:1] COCCn1nc(C)c(NC(=O)N2CC[C@@H](C2)C[*:1])c1C
COCCn1nc(C)c(NC(=O)N2CC[C@H](Cc3ccccc3)C2)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)N1CC[C@H](Cc2ccccc2)C1
COCCn1nc(C)c(NC(=O)N2CC[C@H](Cc3ccccc3)C2)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)N1CC[C@H](Cc2ccccc2)C1)[*:1]
Cc1cccc(CNC(=O)C[C@H]2Oc3ccc(C)cc3NC2=O)c1 Cc1cccc(c1)C[*:1] Cc1ccc2O[C@H](CC(=O)N[*:1])C(=O)Nc2c1
Cc1cccc(CNC(=O)C[C@H]2Oc3ccc(C)cc3NC2=O)c1 Cc1cccc(c1)[*:1] Cc1ccc2O[C@H](CC(=O)NC[*:1])C(=O)Nc2c1
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc2cccc(F)c2o1 C[S@](=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)c1cc2cccc(F)c2o1
COc1cc(OC)c(C(C)=O)cc1CSc1nnnn1-c1ccccc1 CC(=O)[*:1] COc1cc(OC)c(cc1CSc1nnnn1-c1ccccc1)[*:1]
COc1cc(OC)c(C(C)=O)cc1CSc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] COc1cc(OC)c(cc1CSc1nnnn1[*:1])C(C)=O
CCC[C@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 CCC[*:1] C[C@H](C(=O)N[C@H](C)c1cccc(Br)c1)[*:1]
CCC[C@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 CCC[C@H](C)[*:1] C[C@@H](NC(=O)[*:1])c1cccc(Br)c1
COc1cccc([C@H]2CCCN2C(=O)c2ccccc2I)c1 Ic1ccccc1[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)[*:1]
C[C@H](NC(=O)N1CCCC[C@@H]1C1OCCO1)c1cccc(-n2ccnc2)c1 C1COC(O1)[*:1] C[C@H](NC(=O)N1CCCC[C@H]1[*:1])c1cccc(c1)-n1ccnc1
C[C@H](NC(=O)N1CCCC[C@@H]1C1OCCO1)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] C[C@H](NC(=O)N1CCCC[C@@H]1C1OCCO1)c1cccc(c1)[*:1]
CCN(C(=O)Cn1nc2n(c1=O)CCCCC2)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)Cn1nc2CCCCCn2c1=O)[*:1]
COc1cc([C@@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)cc2c1OCO2 c1cncc(c1)[*:1] COc1cc(cc2OCOc12)[C@@H]1CC(=O)Nc2c1cnn2C[*:1]
COc1cc([C@@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)cc2c1OCO2 c1cncc(c1)C[*:1] COc1cc(cc2OCOc12)[C@@H]1CC(=O)Nc2c1cnn2[*:1]
O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1ccc(F)c(Cl)c1 O=C(N[*:1])c1ccco1 O=C(CNc1ccc(Cl)cc1[*:1])Nc1ccc(F)c(Cl)c1
O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1ccc(F)c(Cl)c1 c1coc(c1)[*:1] O=C(CNc1ccc(Cl)cc1NC(=O)[*:1])Nc1ccc(F)c(Cl)c1
O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)N[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)OC[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 C1CCC(CC1)C[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)OCC1CCCCC1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 C1CCC(CC1)CO[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)[S@](=O)CCNC(=O)c1cccc(F)c1Cl CC(C)(C)[*:1] O=C(NCC[S@@](=O)[*:1])c1cccc(F)c1Cl
C[C@@H](O)c1ccc(F)cc1OCc1nc(C(C)(C)C)cs1 C[C@@H](O)[*:1] CC(C)(C)c1csc(COc2cc(F)ccc2[*:1])n1
C[C@@H](O)c1ccc(F)cc1OCc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[C@@H](O)c1ccc(F)cc1OCc1nc(cs1)[*:1]
COC[C@H](NC(=O)Nc1cn[nH]c1)c1ccc(F)c(F)c1 c1n[nH]cc1[*:1] COC[C@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)Nc1cn[nH]c1)c1ccc(F)c(F)c1 COC[*:1] O=C(Nc1cn[nH]c1)N[C@H](c1ccc(F)c(F)c1)[*:1]
C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc2)C1=O FC(F)(F)[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1[*:1]
CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3Cc1ccccc1Cl)C(=O)N2C Clc1ccccc1[*:1] CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3C[*:1])C(=O)N2C
CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3Cc1ccccc1Cl)C(=O)N2C CC(C)[*:1] CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3Cc2ccccc2Cl)c2cc(ccc21)[*:1]
CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3Cc1ccccc1Cl)C(=O)N2C Clc1ccccc1C[*:1] CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3[*:1])C(=O)N2C
CC[C@@H](C)C(=O)NCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F CC[C@@H](C)C(=O)N[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C[*:1]
CC[C@@H](C)C(=O)NCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F CC[C@@H](C)[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CNC(=O)[*:1]
CO/N=C\C(C#N)=C/c1cccnc1 CON=C[*:1] N#C/C(=C/c1cccnc1)[*:1]
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C Cc1ccccc1[*:1] CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C(=O)N[*:1]
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C Clc1ccc(cc1)[*:1] CO[C@H]([C@@H](C)NC(=O)C(=O)Nc1ccccc1C)[*:1]
CC(C)CNC(=O)[C@](C)(N)C(F)(F)F CC(C)[*:1] C[C@](N)(C(=O)NC[*:1])C(F)(F)F
CC(C)CNC(=O)[C@](C)(N)C(F)(F)F CC(C)C[*:1] C[C@](N)(C(=O)N[*:1])C(F)(F)F
CC(C)CNC(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CC(C)CNC(=O)[C@](C)(N)[*:1]
Cc1nc(Br)ccc1NC(=O)NCc1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1nc(Br)ccc1NC(=O)NC[*:1]
COc1ccc2cc(COC(=O)COc3ccccc3C#N)ccc2c1 N#Cc1ccccc1[*:1] COc1ccc2cc(ccc2c1)COC(=O)CO[*:1]
CCS(=O)(=O)CCN(C)Cc1c[nH]nc1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCS(=O)(=O)CCN(C)Cc1c[nH]nc1[*:1]
CCS(=O)(=O)CCN(C)Cc1c[nH]nc1-c1ccc(C)cc1 CCS(=O)(=O)[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN(C)CC[*:1]
CCS(=O)(=O)CCN(C)Cc1c[nH]nc1-c1ccc(C)cc1 CCS(=O)(=O)CC[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN(C)[*:1]
CCS(=O)(=O)CCN(C)Cc1c[nH]nc1-c1ccc(C)cc1 CCS(=O)(=O)C[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN(C)C[*:1]
Cc1noc(C)c1COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1 Cc1noc(C)c1[*:1] c1cc(ccc1C[NH2+]C[C@H]1CCCO1)OC[*:1]
N#Cc1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F FC(F)[*:1] N#Cc1cnn2c1N[C@H](C[C@H]2[*:1])c1ccccc1
N#Cc1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F c1ccc(cc1)[*:1] N#Cc1cnn2c1N[C@@H](C[C@@H]2C(F)F)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(C(=O)NC2CC2)C1 C1CC1[*:1] C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
COCc1nc(C(=O)OCC2=CC[C@H]3C[C@@H]2C3(C)C)cs1 COC[*:1] CC1(C)[C@H]2CC=C(COC(=O)c3csc(n3)[*:1])[C@@H]1C2
CCN(Cc1ccc(Br)s1)C(=O)C[NH+](C)CC(=O)[O-] O=C([O-])[*:1] CCN(Cc1ccc(Br)s1)C(=O)C[NH+](C)C[*:1]
CCN(Cc1ccc(Br)s1)C(=O)C[NH+](C)CC(=O)[O-] Brc1ccc(s1)[*:1] CCN(C[*:1])C(=O)C[NH+](C)CC(=O)[O-]
O=C([O-])[C@H]1CCCN(c2ccc([O-])nn2)C1 O=C([O-])[*:1] [O-]c1ccc(nn1)N1CCC[C@@H](C1)[*:1]
COc1ccc(CCCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1F NS(=O)(=O)[*:1] COc1ccc(cc1F)CCCC(=O)Nc1cccc(c1)[*:1]
Fc1ccccc1[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Fc1ccccc1[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCN(CC1)[*:1]
Fc1ccccc1[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1 C1CCC(CC1)[*:1] Fc1ccccc1[C@@H](c1nnnn1[*:1])[NH+]1CCN(CC1)c1ccccc1
Fc1ccccc1[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1 Fc1ccccc1[*:1] c1ccc(cc1)N1CC[NH+](CC1)[C@H](c1nnnn1C1CCCCC1)[*:1]
O=C(C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] O=C(CC(=NNc1nc(cs1)-c1ccccc1)[*:1])C(F)(F)F
O=C(C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccccc1)C(F)(F)F FC(F)(F)[*:1] O=C(C/C(=N\Nc1nc(cs1)-c1ccccc1)c1ccccc1)[*:1]
O=C(C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccccc1)C(F)(F)F O=C(C(F)(F)F)[*:1] c1ccc(cc1)/C(C[*:1])=N/Nc1nc(cs1)-c1ccccc1
O=C(C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccccc1)C(F)(F)F O=C(C[*:1])C(F)(F)F c1ccc(cc1)/C(=N/Nc1nc(cs1)-c1ccccc1)[*:1]
O=C(C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] O=C(C/C(=N\Nc1nc(cs1)[*:1])c1ccccc1)C(F)(F)F
C[C@H]([NH2+]CC(=O)N(C)C)c1ccc(Cl)s1 CN(C)C(=O)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(Cl)s1
Cc1cc(C(=O)NNC(=O)c2cccc3ccccc23)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NNC(=O)[*:1])c1cccc2ccccc12
COc1ccc(-c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)N[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc(N)nc(Nc4ccccc4)n3)CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)[C@H](C)c1nc(N)nc(n1)N[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc(N)nc(Nc4ccccc4)n3)CC2)c1 c1ccc(cc1)N[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)[C@H](C)c1nc(N)nc(n1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc(N)nc(Nc4ccccc4)n3)CC2)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](c1nc(N)nc(n1)Nc1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(C)c1-n1nnnc1CSCc1nnc(C)n1C Cc1nnc(n1C)[*:1] Cc1cccc(C)c1-n1nnnc1CSC[*:1]
COc1cccc(C(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] COc1cccc(c1)C(=O)N[C@@](C)(C(N)=O)[*:1]
COc1cccc(C(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1 NC(=O)[*:1] COc1cccc(c1)C(=O)N[C@@](C)(c1cccc(Cl)c1)[*:1]
C[C@H](CCO)[NH2+][C@H]1CCc2c(Br)cccc21 C[C@H](CCO)[*:1] Brc1cccc2c1CC[C@@H]2[NH2+][*:1]
C[C@H](CCO)[NH2+][C@H]1CCc2c(Br)cccc21 OCC[*:1] C[C@H]([NH2+][C@H]1CCc2c(Br)cccc21)[*:1]
NC(=O)C1(N2CCCC2)CC[NH2+]CC1 NC(=O)[*:1] C1CCN(C1)C1(CC[NH2+]CC1)[*:1]
CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H]([C@@H]1C)[*:1]
CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C CC(C)[*:1] C[C@H]1[C@H](CCN1C(=O)[C@H]([NH3+])C[*:1])C(=O)[O-]
CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C CC(C)C[*:1] C[C@H]1[C@H](CCN1C(=O)[C@H]([NH3+])[*:1])C(=O)[O-]
CC[C@H](C)Cn1c(CCCl)nc2c(C)nn(C)c21 ClCC[*:1] CC[C@H](C)Cn1c(nc2c(C)nn(C)c21)[*:1]
CC[C@H](C)Cn1c(CCCl)nc2c(C)nn(C)c21 CC[C@H](C)C[*:1] Cc1nn(C)c2c1nc(CCCl)n2[*:1]
CC[C@H](C)Cn1c(CCCl)nc2c(C)nn(C)c21 CC[C@H](C)[*:1] Cc1nn(C)c2c1nc(CCCl)n2C[*:1]
Cc1csc([C@H](C)NC(=O)CCC[NH+]2CCCCC2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)CCC[NH+]1CCCCC1)[*:1]
CCC(=O)NN/C(C)=C/C(=O)NCC(C)(C)C CC(C)(C)[*:1] CCC(=O)NN/C(C)=C/C(=O)NC[*:1]
CCC(=O)NN/C(C)=C/C(=O)NCC(C)(C)C CC(C)(C)C[*:1] CCC(=O)NN/C(C)=C/C(=O)N[*:1]
C[C@H](c1nc(C(C)(C)C)no1)[S@](=O)Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](c1nc(no1)C(C)(C)C)[S@](=O)Cc1ncn(n1)[*:1]
C[C@H](c1nc(C(C)(C)C)no1)[S@](=O)Cc1ncn(-c2ccccc2)n1 CC(C)(C)[*:1] C[C@H](c1nc(no1)[*:1])[S@](=O)Cc1ncn(n1)-c1ccccc1
Cn1cnn(C[NH+](Cc2ccc(F)cc2)C2CC2)c1=S C1CC1[*:1] Cn1cnn(C[NH+](Cc2ccc(F)cc2)[*:1])c1=S
O=C(Nc1ccc2ncccc2c1)C(=O)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] O=C(Nc1ccc2ncccc2c1)C(=O)N[*:1]
CC(C)[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H]([NH2+]CC1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
CC(C)[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccnc1 CC(C)(C)[*:1] CC(C)[C@H]([NH2+]CC1CCN(CC1)C(=O)O[*:1])c1cccnc1
CC(C)[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccnc1 CC(C)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C[NH2+][C@H](c1cccnc1)[*:1]
CCC[C@H](C)NC(=O)C[NH2+]Cc1cscc1C CCC[*:1] Cc1cscc1C[NH2+]CC(=O)N[C@@H](C)[*:1]
CCC[C@H](C)NC(=O)C[NH2+]Cc1cscc1C CCC[C@H](C)[*:1] Cc1cscc1C[NH2+]CC(=O)N[*:1]
O=C(CN(C(=O)Cn1nnc2ccccc21)c1ccccc1)NC[C@H]1CCCO1 c1ccc2c(c1)nnn2[*:1] O=C(CN(C(=O)C[*:1])c1ccccc1)NC[C@H]1CCCO1
O=C(CN(C(=O)Cn1nnc2ccccc21)c1ccccc1)NC[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(CN(C(=O)Cn1nnc2ccccc21)[*:1])NC[C@H]1CCCO1
O=C(Nc1cccc(N2CCCNC2=O)c1)C(=O)N1CCc2cc(F)ccc2C1 O=C1NCCCN1[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1CCc2cc(F)ccc2C1
O=C(COc1ccc(Br)cc1)NOCc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1)NOC[*:1]
CC(=O)C[C@]1(O)C(=O)N(Cc2ccc(C)cc2)c2c(C)cccc21 Cc1ccc(cc1)[*:1] CC(=O)C[C@]1(O)C(=O)N(C[*:1])c2c(C)cccc21
CC(=O)C[C@]1(O)C(=O)N(Cc2ccc(C)cc2)c2c(C)cccc21 CC(=O)C[*:1] Cc1ccc(cc1)CN1C(=O)[C@@](O)(c2cccc(C)c21)[*:1]
CC(=O)C[C@]1(O)C(=O)N(Cc2ccc(C)cc2)c2c(C)cccc21 Cc1ccc(cc1)C[*:1] CC(=O)C[C@]1(O)C(=O)N(c2c(C)cccc21)[*:1]
CC(=O)C[C@]1(O)C(=O)N(Cc2ccc(C)cc2)c2c(C)cccc21 CC(=O)[*:1] Cc1ccc(cc1)CN1C(=O)[C@@](O)(C[*:1])c2cccc(C)c21
C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)NCC1CCCCC1 C1CCC(CC1)C[*:1] C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)N[*:1]
C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)NCC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)NC[*:1]
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H](CCC(N)=O)C1 NC(=O)[*:1] C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H](CC[*:1])C1
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H](CCC(N)=O)C1 NC(=O)C[*:1] C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@@H](C1)C[*:1]
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H](CCC(N)=O)C1 NC(=O)CC[*:1] C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H](C1)[*:1]
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H](CCC(N)=O)C1 Clc1ccc(Cl)c(c1)[*:1] C[C@@H](S[*:1])C(=O)N1CCC[C@H](CCC(N)=O)C1
COc1cc(-c2ccno2)ccc1S(=O)(=O)NCc1ccco1 c1cc(on1)[*:1] COc1cc(ccc1S(=O)(=O)NCc1ccco1)[*:1]
COc1cc(-c2ccno2)ccc1S(=O)(=O)NCc1ccco1 c1coc(c1)C[*:1] COc1cc(ccc1S(=O)(=O)N[*:1])-c1ccno1
COc1cc(-c2ccno2)ccc1S(=O)(=O)NCc1ccco1 c1coc(c1)[*:1] COc1cc(ccc1S(=O)(=O)NC[*:1])-c1ccno1
CCC[C@@H](CC)Nc1c(F)c(F)nc(F)c1F CCC[*:1] CC[C@@H](Nc1c(F)c(F)nc(F)c1F)[*:1]
Oc1cccc([C@@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CCO2)c1 Fc1ccc(cc1)O[*:1] Oc1cccc(c1)[C@@H]1CN(CCO1)c1nccc(n1)[*:1]
Oc1cccc([C@@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CCO2)c1 Oc1cccc(c1)[*:1] Fc1ccc(cc1)Oc1ccnc(n1)N1CCO[C@@H](C1)[*:1]
Oc1cccc([C@@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CCO2)c1 Fc1ccc(cc1)[*:1] Oc1cccc(c1)[C@@H]1CN(CCO1)c1nccc(n1)O[*:1]
COc1ccc([C@H](CNC(=O)c2cccc3ccccc23)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1cccc2ccccc12
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)COc1ccc(C3SCCCS3)cc1)C2 C1CSC(SC1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)COc1ccc(cc1)[*:1]
Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3ccc(F)cc3)nc(N3CCCCC3)c12 O=C(Nc1ccc(F)cc1)[*:1] Cc1c(C)n(-c2ccccc2)c2nc(nc(c12)N1CCCCC1)[*:1]
Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3ccc(F)cc3)nc(N3CCCCC3)c12 Fc1ccc(cc1)[*:1] Cc1c(C)n(-c2ccccc2)c2nc(nc(c12)N1CCCCC1)C(=O)N[*:1]
Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3ccc(F)cc3)nc(N3CCCCC3)c12 c1ccc(cc1)[*:1] Cc1c(C)n(c2nc(nc(c12)N1CCCCC1)C(=O)Nc1ccc(F)cc1)[*:1]
Cc1c(C)n(-c2ccccc2)c2nc(C(=O)Nc3ccc(F)cc3)nc(N3CCCCC3)c12 C1CCN(CC1)[*:1] Cc1c(C)n(-c2ccccc2)c2nc(nc(c12)[*:1])C(=O)Nc1ccc(F)cc1
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NCC[C@H]2C[C@H]3CC[C@@H]2C3)c1 CC(C)[*:1] O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)Nc1cccc(c1)NC(=O)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NCC[C@H]2C[C@H]3CC[C@@H]2C3)c1 CC(C)C(=O)N[*:1] O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(CNC(=O)c2cc(N3C(=O)C(C)(C)CS3(=O)=O)ccc2Cl)cc1OC COc1ccc(cc1OC)[*:1] CC1(C)CS(=O)(=O)N(C1=O)c1ccc(Cl)c(c1)C(=O)NC[*:1]
CC(=O)Nc1cccc(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)c1 CC(=O)N[*:1] Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)Nc1cccc(c1)[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)CCOc1ccccc1 c1ccc(cc1)O[*:1] COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)CC[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)CCOc1ccccc1 COc1ccccc1[*:1] C[C@@H](CCOc1ccccc1)C(=O)N1CCC[C@@H]1[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)CCOc1ccccc1 c1ccc(cc1)OC[*:1] COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)C[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)CCOc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)CCO[*:1]
CCNc1ncc(COCC2CCCCC2)s1 CCN[*:1] c1nc(sc1COCC1CCCCC1)[*:1]
CC[C@H](C)C(=O)Nc1ccccn1 CC[C@H](C)[*:1] O=C(Nc1ccccn1)[*:1]
O=C([O-])CC1=C(C(=O)[O-])CCCC1 O=C([O-])C[*:1] O=C([O-])C1CCCCC=1[*:1]
O=C([O-])CC1=C(C(=O)[O-])CCCC1 O=C([O-])[*:1] O=C([O-])CC1CCCCC=1[*:1]
O=C([O-])CC1=C(C(=O)[O-])CCCC1 O=C([O-])[*:1] O=C([O-])C1CCCCC=1C[*:1]
Fc1ccc(C[NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)c(F)c1 C1C[C@@H](CO1)[*:1] Fc1ccc(C[NH2+]C[C@@H](N2CCOCC2)[*:1])c(F)c1
Fc1ccc(C[NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)c(F)c1 C1CN(CCO1)[*:1] Fc1ccc(C[NH2+]C[C@@H]([C@H]2CCOC2)[*:1])c(F)c1
N#Cc1cccnc1Oc1ccccc1NCc1cccc2ccccc12 N#Cc1cccnc1[*:1] c1ccc(O[*:1])c(c1)NCc1cccc2ccccc12
N#Cc1cccnc1Oc1ccccc1NCc1cccc2ccccc12 N#Cc1cccnc1O[*:1] c1ccc(c(c1)NCc1cccc2ccccc12)[*:1]
O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@H]1CO O=[N+]([O-])[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@@H]1CCCC[C@H]1CO
C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)c1ccc(S(C)(=O)=O)cc1 C[C@@H](O)[*:1] C[C@H](NC(=O)NC[C@H](C)C[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)c1ccc(S(C)(=O)=O)cc1 C[C@@H](O)C[*:1] C[C@H](NC(=O)NC[C@H](C)[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(NC(=O)NC[C@H](C)N2CCOCC2)c(F)c1 CC(C)O[*:1] C[C@@H](CNC(=O)Nc1ccc(cc1F)[*:1])N1CCOCC1
CC(C)Oc1ccc(NC(=O)NC[C@H](C)N2CCOCC2)c(F)c1 C1CN(CCO1)[*:1] CC(C)Oc1ccc(NC(=O)NC[C@H](C)[*:1])c(F)c1
CC(C)Oc1ccc(NC(=O)NC[C@H](C)N2CCOCC2)c(F)c1 CC(C)[*:1] C[C@@H](CNC(=O)Nc1ccc(cc1F)O[*:1])N1CCOCC1
COc1ccccc1COC1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 COc1ccccc1[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)N1CCC(CC1)OC[*:1]
CC(=O)O[C@H]1CC[C@H]2[C@H]3C[C@H](OC(C)=O)[C@]45C[C@H]4CC[C@]5(C)[C@@H]3CC[C@]12C CC(=O)O[*:1] CC(=O)O[C@H]1C[C@@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@H]2[C@@]2(C)CC[C@@H]3C[C@@]132)[*:1]
CC(=O)O[C@H]1CC[C@H]2[C@H]3C[C@H](OC(C)=O)[C@]45C[C@H]4CC[C@]5(C)[C@@H]3CC[C@]12C CC(=O)O[*:1] CC(=O)O[C@H]1CC[C@H]2[C@H]3C[C@H]([C@]45C[C@H]4CC[C@]5(C)[C@@H]3CC[C@]12C)[*:1]
CCCn1nnnc1CN1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O CCC[*:1] CC(C)N1C(=O)N[C@@]2(CCN(Cc3nnnn3[*:1])C2)C1=O
CCCn1nnnc1CN1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O CC(C)[*:1] CCCn1nnnc1CN1CC[C@]2(C1)NC(=O)N(C2=O)[*:1]
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)c2c(n(C)c(=O)n(C)c2=O)N1 Fc1cccc(c1)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@@H](C=1C(=O)OCC(C)C)[*:1]
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)C[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@H](C=1C(=O)O[*:1])c1cccc(F)c1
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)COC(=O)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@H](C=1[*:1])c1cccc(F)c1
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@H](C=1C(=O)OC[*:1])c1cccc(F)c1
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)NC3CC3)n2n1 c1ccc(cc1)[*:1] Cc1cc(C)c2c(nc(SCC(=O)NC3CC3)n2n1)[*:1]
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)NC3CC3)n2n1 O=C(C[*:1])NC1CC1 Cc1cc(C)c2c(nc(S[*:1])n2n1)-c1ccccc1
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)NC3CC3)n2n1 C1CC1[*:1] Cc1cc(C)c2c(nc(SCC(=O)N[*:1])n2n1)-c1ccccc1
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)NC3CC3)n2n1 O=C(CS[*:1])NC1CC1 Cc1cc(C)c2c(nc(n2n1)[*:1])-c1ccccc1
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)NC3CC3)n2n1 O=C(NC1CC1)[*:1] Cc1cc(C)c2c(nc(SC[*:1])n2n1)-c1ccccc1
COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1cccc(Cl)c1)N(C)C2=O Clc1cccc(c1)[*:1] COc1cc2C(=O)N(C)[C@@H]([C@@H](C(=O)[O-])c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1cccc(Cl)c1)N(C)C2=O O=C([O-])[*:1] COc1cc2C(=O)N(C)[C@@H](c3cccc(Cl)c3)[C@@H](c2cc1OC)[*:1]
Cc1cnc([C@H](C)NC(=O)NNC(=O)Nc2ccccc2)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)NNC(=O)Nc1ccccc1)[*:1]
Cc1cnc([C@H](C)NC(=O)NNC(=O)Nc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NNC(=O)N[*:1]
CNC(=O)c1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1csc(n1)-c1ccccc1
CNC(=O)c1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)c1csc(n1)[*:1]
CNc1nc(C2CCN(C(=O)Cc3ccccn3)CC2)[nH+]c2c1CN(C(C)=O)CC2 c1ccc(nc1)[*:1] CNc1nc([nH+]c2CCN(Cc12)C(C)=O)C1CCN(CC1)C(=O)C[*:1]
CNc1nc(C2CCN(C(=O)Cc3ccccn3)CC2)[nH+]c2c1CN(C(C)=O)CC2 c1ccc(C[*:1])nc1 CNc1nc([nH+]c2CCN(Cc12)C(C)=O)C1CCN(CC1)C(=O)[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)NCc2cc3ccccc3o2)n1 Cc1cc(C)n(C[*:1])n1 C[C@@H](CNC(=O)NCc1cc2ccccc2o1)[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)NCc2cc3ccccc3o2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](CNC(=O)NCc1cc2ccccc2o1)C[*:1]
Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)CC2 c1ccc(cc1)C[*:1] Cc1nc2CC[C@H](Cn2n1)[NH2+]C[C@@H](O)CN(C)[*:1]
Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)CC2 c1ccc(cc1)[*:1] Cc1nc2CC[C@H](Cn2n1)[NH2+]C[C@@H](O)CN(C)C[*:1]
c1ccc(Cn2c(SCc3ncon3)nnc2-c2cccs2)cc1 c1ccc(cc1)C[*:1] c1csc(c1)-c1nnc(SCc2ncon2)n1[*:1]
c1ccc(Cn2c(SCc3ncon3)nnc2-c2cccs2)cc1 c1nc(CS[*:1])no1 c1ccc(cc1)Cn1c(nnc1[*:1])-c1cccs1
c1ccc(Cn2c(SCc3ncon3)nnc2-c2cccs2)cc1 c1nc(C[*:1])no1 c1ccc(cc1)Cn1c(nnc1-c1cccs1)S[*:1]
c1ccc(Cn2c(SCc3ncon3)nnc2-c2cccs2)cc1 c1csc(c1)[*:1] c1ccc(cc1)Cn1c(nnc1[*:1])SCc1ncon1
c1ccc(Cn2c(SCc3ncon3)nnc2-c2cccs2)cc1 c1nc(no1)[*:1] c1ccc(cc1)Cn1c(nnc1-c1cccs1)SC[*:1]
c1ccc(Cn2c(SCc3ncon3)nnc2-c2cccs2)cc1 c1ccc(cc1)[*:1] c1csc(c1)-c1nnc(SCc2ncon2)n1C[*:1]
COc1ccc(-n2nc(C)c3c2C[C@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)cc1 COc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC(=O)c2c(C)nn(c2C1)[*:1]
COc1ccc(OC)c(/C=C/C(=O)OCC(C)C)c1 CC(C)C[*:1] COc1ccc(OC)c(/C=C/C(=O)O[*:1])c1
COc1ccc(OC)c(/C=C/C(=O)OCC(C)C)c1 CC(C)[*:1] COc1ccc(OC)c(/C=C/C(=O)OC[*:1])c1
C[C@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N CC(C)[*:1] Cc1cccc(c1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N)[*:1]
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N c1csc(c1)[*:1] Cc1cccc(c1NC(=O)[C@@H](C)Sc1nnc(n1N)[*:1])C(C)C
Cn1cc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c(=O)c2cccn21 c1ccc(cc1)C[*:1] Cn1cc(C(=O)Nc2ccccc2C(=O)NC[*:1])c(=O)c2cccn21
Cn1cc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c(=O)c2cccn21 c1ccc(cc1)[*:1] Cn1cc(C(=O)Nc2ccccc2C(=O)NCC[*:1])c(=O)c2cccn21
Cn1cc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c(=O)c2cccn21 c1ccc(cc1)CC[*:1] Cn1cc(C(=O)Nc2ccccc2C(=O)N[*:1])c(=O)c2cccn21
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H](C)Sc2ccccn2)C1 Cc1ccccc1[*:1] C[C@H]1C[C@H](CN1C(=O)[C@@H](C)Sc1ccccn1)[*:1]
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H](C)Sc2ccccn2)C1 c1ccc(nc1)S[*:1] Cc1ccccc1[C@@H]1C[C@H](C)N(C1)C(=O)[C@@H](C)[*:1]
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H](C)Sc2ccccn2)C1 c1ccc(nc1)[*:1] Cc1ccccc1[C@@H]1C[C@H](C)N(C1)C(=O)[C@@H](C)S[*:1]
Cc1occc1C(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@H]2C)o1 Cc1occc1[*:1] C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)[*:1])o1
CCc1nn(CC)c(C[C@@]2(C3CC3)CCC[NH2+]2)c1Br C1CC1[*:1] CCc1nn(CC)c(C[C@]2(CCC[NH2+]2)[*:1])c1Br
COc1ccc([C@H](O)[C@@H](C)NC(=O)[C@@H](C)SC)cc1 CS[C@H](C)[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)[*:1]
CCC(=O)N1CCC[C@@H]1c1cc(C(F)(F)F)c2c(=O)n(C)c(=O)n(C)c2n1 FC(F)(F)[*:1] CCC(=O)N1CCC[C@@H]1c1cc(c2c(=O)n(C)c(=O)n(C)c2n1)[*:1]
CCC(=O)N1CCC[C@@H]1c1cc(C(F)(F)F)c2c(=O)n(C)c(=O)n(C)c2n1 CCC(=O)N1CCC[C@H]1[*:1] Cn1c(=O)c2c(cc(nc2n(C)c1=O)[*:1])C(F)(F)F
C[C@H]([NH3+])[C@@H](CC(=O)[O-])c1ccccc1 O=C([O-])C[*:1] C[C@H]([NH3+])[C@@H](c1ccccc1)[*:1]
C[C@H]([NH3+])[C@@H](CC(=O)[O-])c1ccccc1 O=C([O-])[*:1] C[C@H]([NH3+])[C@@H](C[*:1])c1ccccc1
Cc1ccc([C@H]2C3=C(NC(=O)N2C)c2ccccc2C3=O)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)NC2=C(C(=O)c3ccccc32)[C@@H]1[*:1]
C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2ccc(O)cc2)C1 Oc1ccc(cc1)[*:1] C[C@]1(CCC(=O)N(CC[*:1])C1)Cc1ccc2OCOc2c1
C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2ccc(O)cc2)C1 c1cc2OCOc2cc1[*:1] C[C@]1(CCC(=O)N(CCc2ccc(O)cc2)C1)C[*:1]
C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2ccc(O)cc2)C1 Oc1ccc(cc1)C[*:1] C[C@]1(CCC(=O)N(C1)C[*:1])Cc1ccc2OCOc2c1
C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2ccc(O)cc2)C1 Oc1ccc(cc1)CC[*:1] C[C@]1(CCC(=O)N(C1)[*:1])Cc1ccc2OCOc2c1
Cc1c(-c2nc(-c3cccs3)no2)sc2nc[nH]c(=O)c12 c1csc(c1)[*:1] Cc1c(sc2nc[nH]c(=O)c12)-c1nc(no1)[*:1]
COc1cc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 c1ccc(nc1)[*:1] COc1cc(ccc1OCc1ccccc1)[C@H]1C(C(=O)N[*:1])=C(C)NC2CCCC(=O)C=21
COc1cc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])[C@H]1C(C(=O)Nc2ccccn2)=C(C)NC2CCCC(=O)C=21
COc1cc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])[C@H]1C(C(=O)Nc2ccccn2)=C(C)NC2CCCC(=O)C=21
COc1cc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])[C@H]1C(C(=O)Nc2ccccn2)=C(C)NC2CCCC(=O)C=21
COc1cc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 O=C(Nc1ccccn1)[*:1] COc1cc(ccc1OCc1ccccc1)[C@@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
CCCN1C(N)=[NH+]C[C@@H]1c1cc(Cl)c2c(c1)OCO2 CCC[*:1] NC1=[NH+]C[C@H](c2cc(Cl)c3OCOc3c2)N1[*:1]
CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)Nc1cc[nH]n1 Clc1cccc(c1Cl)[*:1] CC(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1[*:1])C(=O)Nc1cc[nH]n1
CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)Nc1cc[nH]n1 CC(C)[*:1] O=C(Nc1cc[nH]n1)[C@@H](C[*:1])NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl
CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)Nc1cc[nH]n1 c1cc(n[nH]1)[*:1] CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)N[*:1]
CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)Nc1cc[nH]n1 O=C(Nc1cc[nH]n1)[*:1] CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)[*:1]
CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)Nc1cc[nH]n1 CC(C)C[*:1] O=C(N[C@@H](C(=O)Nc1cc[nH]n1)[*:1])[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl
NC(=O)COc1cccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 NC(=O)C[*:1] O=C(NCc1cccc(c1)O[*:1])c1cc2cc(Cl)ccc2[nH]1
NC(=O)COc1cccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 NC(=O)CO[*:1] O=C(NCc1cccc(c1)[*:1])c1cc2cc(Cl)ccc2[nH]1
NC(=O)COc1cccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)OC[*:1])c1cc2cc(Cl)ccc2[nH]1
COc1ccc(CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1cc(=O)c2ccc(Br)cc2o1
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(C)CC2)CC1=O CC[C@@H](C)[*:1] CN1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1[*:1]
CCN1CC(=O)Nc2cc(C(=O)NC3CC[NH+](C4CCCC4)CC3)ccc21 C1CCC(C1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)NC1CC[NH+](CC1)[*:1]
COc1ccc(Br)cc1/C=C/C(=O)N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc(Br)cc1/C=C/C(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(Br)cc1/C=C/C(=O)N1CCN(C(=O)c2ccccc2)CC1 COc1ccc(Br)cc1[*:1] O=C(C=C[*:1])N1CCN(CC1)C(=O)c1ccccc1
NC(=O)COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 NC(=O)[*:1] O=C(N[C@H]1CCCc2ccccc21)c1ccc(cc1)OC[*:1]
NC(=O)COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 NC(=O)C[*:1] O=C(N[C@H]1CCCc2ccccc21)c1ccc(cc1)O[*:1]
NC(=O)COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 NC(=O)CO[*:1] O=C(N[C@H]1CCCc2ccccc21)c1ccc(cc1)[*:1]
O=C(COc1ncnc2ccc(Br)cc12)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(COc1ncnc2ccc(Br)cc12)N[*:1]
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(cc1)[*:1]
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(NC(N)=O)cc1 Clc1ccc(c(Cl)c1)[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)NC(N)=O)[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(N)=O)cc1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1)N1C(=O)[C@@H](S/C1=C(/C#N)C(N)=O)[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(N)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)N1C(=O)[C@@H](Cc2cccc(C)c2)SC1=C(C#N)[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(N)=O)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)N1C(=O)[C@@H](C[*:1])S/C1=C(/C#N)C(N)=O
Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(N)=O)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)C[C@H]1S/C(=C(/C#N)C(N)=O)N(C1=O)[*:1]
CC(C)CN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CC1 CC(C)C[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)N(C1CC1)[*:1]
CC(C)CN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)NCc1ccc(cc1)C(F)(F)F)[*:1]
CC(C)CN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CC1 CC(C)[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)N(C[*:1])C1CC1
CC(C)CN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CC1 FC(F)(F)[*:1] CC(C)CN(C(=O)NCc1ccc(cc1)[*:1])C1CC1
ClCCc1nc2cccnc2n1CCn1cccn1 c1cnn(c1)[*:1] ClCCc1nc2cccnc2n1CC[*:1]
ClCCc1nc2cccnc2n1CCn1cccn1 c1cnn(c1)C[*:1] ClCCc1nc2cccnc2n1C[*:1]
ClCCc1nc2cccnc2n1CCn1cccn1 ClCC[*:1] c1cnc2c(c1)nc(n2CCn1cccn1)[*:1]
CC[C@@](C)([C@@H]([NH3+])c1cc(Br)ccc1F)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)([C@@H]([NH3+])c1cc(Br)ccc1F)[*:1]
Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(c1)[*:1]
CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OS(C)(=O)=O)O1 CS(=O)(=O)O[*:1] CC1(C)OC[C@@H](O1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1[*:1]
CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OS(C)(=O)=O)O1 CC1(C)OC[C@H](O1)[*:1] CC1(C)O[C@H]2O[C@@H]([C@H](OS(C)(=O)=O)[C@H]2O1)[*:1]
Cc1cccc([C@H](CCl)CCC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1cccc(c1)[C@H](CCl)CCC[*:1]
Cc1cccc([C@H](CCl)CCC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] Cc1cccc(c1)[C@H](CCl)CC[*:1]
[NH3+][C@@H](CSCc1nccs1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@@H](CSCc1nccs1)[*:1]
CC[C@@H](CSC)NC(=O)NCc1cccc(OC)c1 CSC[*:1] CC[C@@H](NC(=O)NCc1cccc(c1)OC)[*:1]
Cc1ccccc1NC(=O)COC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] Cc1ccccc1NC(=O)COC(=O)[*:1]
C[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C1CCC1 C1CC(C1)[*:1] C[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)[*:1]
C[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C1CCC1 Clc1cccc(c1)[*:1] C[C@H]([NH2+][C@H](C)CC(=O)N(C)C[*:1])C1CCC1
CC1(C)CCCC[C@H]1[NH2+]Cc1c[nH]cn1 c1nc(c[nH]1)[*:1] CC1(C)CCCC[C@H]1[NH2+]C[*:1]
O=C(NNS(=O)(=O)c1cccs1)c1ccccc1F c1csc(c1)[*:1] O=C(NNS(=O)(=O)[*:1])c1ccccc1F
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc[nH]1 c1coc(c1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])c1ccc[nH]1
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc[nH]1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccco2)n1[*:1])c1ccc[nH]1
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc[nH]1 O=C(c1ccc[nH]1)[*:1] c1ccc(cc1)-n1c(nnc1-c1ccco1)SC[*:1]
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc[nH]1 O=C(C[*:1])c1ccc[nH]1 c1ccc(cc1)-n1c(nnc1-c1ccco1)S[*:1]
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)[*:1]
COc1ccc2c(c1)CCN(C(=O)[C@H](C)n1nc(-c3ccccc3)ccc1=O)C2 c1ccc(cc1)[*:1] COc1ccc2CN(CCc2c1)C(=O)[C@H](C)n1nc(ccc1=O)[*:1]
CC(C)(C)c1nc(CC[NH2+]C2CCN(Cc3cccnc3)CC2)cs1 CC(C)(C)[*:1] c1cncc(c1)CN1CCC(CC1)[NH2+]CCc1csc(n1)[*:1]
CC(C)(C)c1nc(CC[NH2+]C2CCN(Cc3cccnc3)CC2)cs1 c1cncc(c1)[*:1] CC(C)(C)c1nc(cs1)CC[NH2+]C1CCN(CC1)C[*:1]
CC(C)(C)c1nc(CC[NH2+]C2CCN(Cc3cccnc3)CC2)cs1 c1cncc(c1)C[*:1] CC(C)(C)c1nc(cs1)CC[NH2+]C1CCN(CC1)[*:1]
COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)N(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CC[NH2+]CC1)[*:1]
O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1ccc(Cl)cc1)c1cc(c(Cl)cc1Cl)[*:1]
O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl Clc1ccc(cc1)[*:1] O=C(N[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1
C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 C#CC[*:1] O=C1S/C(=C\c2ccc(cc2)O[*:1])C(=O)N1Cc1ccc(F)cc1
C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 C#CCO[*:1] O=C1S/C(=C\c2ccc(cc2)[*:1])C(=O)N1Cc1ccc(F)cc1
C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 Fc1ccc(cc1)C[*:1] C#CCOc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1
C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 Fc1ccc(cc1)[*:1] C#CCOc1ccc(/C=C2\SC(=O)N(C[*:1])C2=O)cc1
CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2Cl)NC(=S)N1 Clc1ccccc1[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1ccccc1Cl
CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2Cl)NC(=S)N1 Clc1ccccc1[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1ccccc1Cl)[*:1]
O=C(/C=C/c1cc(Br)cs1)Nc1ccc(Cl)nn1 Brc1csc(c1)[*:1] O=C(C=C[*:1])Nc1ccc(Cl)nn1
COC(=O)/C(C#N)=C\Nc1ccc(S(=O)(=O)NC(C)C)cc1 COC(=O)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC=C(C#N)[*:1]
COC(=O)/C(C#N)=C\Nc1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)[*:1] COC(=O)/C(C#N)=C\Nc1ccc(cc1)S(=O)(=O)N[*:1]
COC(=O)/C(C#N)=C\Nc1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)NS(=O)(=O)[*:1] COC(=O)/C(C#N)=C\Nc1ccc(cc1)[*:1]
O=C(OCCOc1cccc(Br)c1)c1cc(=O)c2ccccc2o1 Brc1cccc(c1)O[*:1] O=C(OCC[*:1])c1cc(=O)c2ccccc2o1
O=C(OCCOc1cccc(Br)c1)c1cc(=O)c2ccccc2o1 Brc1cccc(c1)[*:1] O=C(OCCO[*:1])c1cc(=O)c2ccccc2o1
Cc1cccc(C)c1OCC(=O)OCCN1C(=O)c2ccccc2C1=O Cc1cccc(C)c1[*:1] O=C(CO[*:1])OCCN1C(=O)c2ccccc2C1=O
Cc1cccc([C@@H](C[NH3+])S[C@H](C)CCO)c1 OCC[*:1] Cc1cccc(c1)[C@@H](C[NH3+])S[C@H](C)[*:1]
Cc1cccc([C@@H](C[NH3+])S[C@H](C)CCO)c1 C[C@H](CCO)[*:1] Cc1cccc(c1)[C@@H](C[NH3+])S[*:1]
CCCN(CC(=O)NC)C(=O)Cc1cccc(Cl)c1 CCC[*:1] CNC(=O)CN(C(=O)Cc1cccc(Cl)c1)[*:1]
CCCN(CC(=O)NC)C(=O)Cc1cccc(Cl)c1 CNC(=O)C[*:1] CCCN(C(=O)Cc1cccc(Cl)c1)[*:1]
CCCN(CC(=O)NC)C(=O)Cc1cccc(Cl)c1 CNC(=O)[*:1] CCCN(C[*:1])C(=O)Cc1cccc(Cl)c1
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccc2nc(oc2c1)[*:1]
CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1c1ccc2OCCOc2c1)[*:1]
CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)[NH+](C)C)cc1 c1cc2OCCOc2cc1[*:1] CCc1ccc(cc1)[C@H](CNC(=O)N1CCC[C@H]1[*:1])[NH+](C)C
CCCCC(=O)c1c(C)cc(C)[nH]c1=O CCCC[*:1] Cc1cc(C)c(C(=O)[*:1])c(=O)[nH]1
CCCCC(=O)c1c(C)cc(C)[nH]c1=O CCC[*:1] Cc1cc(C)c(C(=O)C[*:1])c(=O)[nH]1
CC[NH+](C)CCNC(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] CC[NH+](C)CCNC(=O)N1CCC(CC1)[*:1]
CC[NH+](C)CCNC(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] CC[NH+](C)CCNC(=O)N1CCC(CC1)C[*:1]
CC1(C)CSC[C@H]([NH2+]CCC(=O)[O-])C1 O=C([O-])[*:1] CC1(C)CSC[C@@H](C1)[NH2+]CC[*:1]
CC1(C)CSC[C@H]([NH2+]CCC(=O)[O-])C1 O=C([O-])C[*:1] CC1(C)CSC[C@@H](C1)[NH2+]C[*:1]
COc1ccc(O[C@H](C)C(=O)N(C)[C@@H](C)Cc2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)O[C@H](C)C(=O)N(C)[C@@H](C)C[*:1]
COc1ccc(O[C@H](C)C(=O)N(C)[C@@H](C)Cc2cccs2)cc1 c1csc(c1)C[*:1] COc1ccc(cc1)O[C@H](C)C(=O)N(C)[C@@H](C)[*:1]
CN(Cc1ccccn1)S(=O)(=O)c1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] CN(Cc1ccccn1)S(=O)(=O)c1ccc(cc1)O[*:1]
CN(Cc1ccccn1)S(=O)(=O)c1ccc(OC2CCCC2)cc1 c1ccc(C[*:1])nc1 CN(S(=O)(=O)c1ccc(cc1)OC1CCCC1)[*:1]
CN(Cc1ccccn1)S(=O)(=O)c1ccc(OC2CCCC2)cc1 c1ccc(nc1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(cc1)OC1CCCC1
CN(Cc1ccccn1)S(=O)(=O)c1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] CN(Cc1ccccn1)S(=O)(=O)c1ccc(cc1)[*:1]
O=C(CNC(=O)c1ccccc1)N[C@@H](CO)Cc1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N[C@@H](CO)Cc1c[nH]c2ccccc12
CC[NH2+][C@]1(C(=O)[O-])CC[C@@H](N2C[C@H](C)O[C@H](C)C2)C1 O=C([O-])[*:1] CC[NH2+][C@@]1(CC[C@H](C1)N1C[C@H](C)O[C@H](C)C1)[*:1]
COc1ccc(-c2cc(C(=O)N3CCC(O)(Cn4cc[nH+]c4)CC3)[nH]n2)cc1 COc1ccc(cc1)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCC(O)(CC1)Cn1cc[nH+]c1
O=S(=O)(CC1CCC1)N[C@H](c1cccc(F)c1)c1ccccn1 Fc1cccc(c1)[*:1] O=S(=O)(CC1CCC1)N[C@H](c1ccccn1)[*:1]
O=S(=O)(CC1CCC1)N[C@H](c1cccc(F)c1)c1ccccn1 c1ccc(nc1)[*:1] O=S(=O)(CC1CCC1)N[C@H](c1cccc(F)c1)[*:1]
O=S(=O)(CC1CCC1)N[C@H](c1cccc(F)c1)c1ccccn1 C1CC(C1)[*:1] O=S(=O)(C[*:1])N[C@H](c1cccc(F)c1)c1ccccn1
O=S(=O)(CC1CCC1)N[C@H](c1cccc(F)c1)c1ccccn1 C1CC(C1)C[*:1] O=S(=O)(N[C@H](c1cccc(F)c1)c1ccccn1)[*:1]
Cc1cc(=O)c(OCC(=O)Nc2nc(-c3cccnc3)cs2)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] O=C(CO[*:1])Nc1nc(cs1)-c1cccnc1
Cc1cc(=O)c(OCC(=O)Nc2nc(-c3cccnc3)cs2)c[nH]1 c1cncc(c1)[*:1] Cc1cc(=O)c(c[nH]1)OCC(=O)Nc1nc(cs1)[*:1]
CC[C@@H](C)[NH+]1CCN([C@H]2CC[C@H]([NH2+]C)C2)CC1 CC[C@@H](C)[*:1] C[NH2+][C@H]1CC[C@@H](C1)N1CC[NH+](CC1)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)N[C@@H]2N=NC(O)=C2[C@H]3c2ccc(Cl)c(Cl)c2)cc1OC Clc1ccc(cc1Cl)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)N[C@@H]1N=NC(O)=C1[C@@H]2[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)N[C@@H]2N=NC(O)=C2[C@H]3c2ccc(Cl)c(Cl)c2)cc1OC COc1ccc(cc1OC)[*:1] O=C1C[C@H](CC2N[C@@H]3N=NC(O)=C3[C@H](C=21)c1ccc(Cl)c(Cl)c1)[*:1]
C[C@H](c1cccc(F)c1)N1CCN(C(=O)C[C@H]2CCOc3ccccc32)CC1 Fc1cccc(c1)[*:1] C[C@H](N1CCN(CC1)C(=O)C[C@H]1CCOc2ccccc21)[*:1]
C[C@H](c1cccc(F)c1)N1CCN(C(=O)C[C@H]2CCOc3ccccc32)CC1 C[C@H](c1cccc(F)c1)[*:1] O=C(C[C@H]1CCOc2ccccc21)N1CCN(CC1)[*:1]
N#CC(/C=C1/C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21)=C(/N)NCCO OCC[*:1] N#CC(/C=C1/C(=O)N(c2ccccc21)c1c(Cl)cccc1Cl)=C(/N)N[*:1]
N#CC(/C=C1/C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21)=C(/N)NCCO Clc1cccc(Cl)c1[*:1] N#CC(/C=C1/C(=O)N(c2ccccc21)[*:1])=C(/N)NCCO
N#CC(/C=C1/C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21)=C(/N)NCCO OCCN[*:1] N#CC(/C=C1/C(=O)N(c2ccccc21)c1c(Cl)cccc1Cl)=C(N)[*:1]
COc1ccccc1CN1CCO[C@H](c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] COc1ccccc1CN1CCO[C@@H](C1)c1cccc(c1)[*:1]
COc1ccccc1CN1CCO[C@H](c2cccc(OC(F)F)c2)C1 COc1ccccc1[*:1] FC(F)Oc1cccc(c1)[C@@H]1CN(CCO1)C[*:1]
COc1ccccc1CN1CCO[C@H](c2cccc(OC(F)F)c2)C1 FC(F)[*:1] COc1ccccc1CN1CCO[C@@H](C1)c1cccc(c1)O[*:1]
Cc1ncccc1NC(=O)C(=O)NCC[NH+](C)C(C)C CC(C)[*:1] Cc1ncccc1NC(=O)C(=O)NCC[NH+](C)[*:1]
C[C@@H](CCCO)NC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O C[C@@H](CCCO)[*:1] CN(C(=O)N[*:1])[C@@H]1CCN(C1=O)c1ccccc1Cl
C[C@@H](CCCO)NC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O OCCC[*:1] C[C@@H](NC(=O)N(C)[C@@H]1CCN(C1=O)c1ccccc1Cl)[*:1]
C[C@@H](CCCO)NC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] C[C@@H](CCCO)NC(=O)N(C)[C@@H]1CCN(C1=O)[*:1]
C[C@@H](CCCO)NC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O OCC[*:1] C[C@@H](C[*:1])NC(=O)N(C)[C@@H]1CCN(C1=O)c1ccccc1Cl
C[C@H](SCC[NH3+])c1ccc(C(=O)[O-])o1 O=C([O-])[*:1] C[C@H](SCC[NH3+])c1ccc(o1)[*:1]
CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c(Br)cccc32)C1 CC[S@](=O)[*:1] Brc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[C@H](C1)[*:1]
CC[C@@H](NC(=O)NCc1ccccc1C)c1nc(C(F)(F)F)cs1 Cc1ccccc1[*:1] CC[C@@H](NC(=O)NC[*:1])c1nc(cs1)C(F)(F)F
CC[C@@H](NC(=O)NCc1ccccc1C)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NC(=O)NCc1ccccc1C)c1nc(cs1)[*:1]
CC[C@@H](NC(=O)NCc1ccccc1C)c1nc(C(F)(F)F)cs1 Cc1ccccc1C[*:1] CC[C@@H](NC(=O)N[*:1])c1nc(cs1)C(F)(F)F
Cc1cccc(CSC2=NC(=O)[C@H]3C(=N2)NC(=O)C[C@H]3C(=O)Nc2ccc(F)c(Cl)c2)c1 Cc1cccc(c1)C[*:1] O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@H]2C(=O)N=C(N=C2N1)S[*:1]
Cc1cccc(CSC2=NC(=O)[C@H]3C(=N2)NC(=O)C[C@H]3C(=O)Nc2ccc(F)c(Cl)c2)c1 Cc1cccc(c1)[*:1] O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@H]2C(=O)N=C(N=C2N1)SC[*:1]
Cc1cccc(CSC2=NC(=O)[C@H]3C(=N2)NC(=O)C[C@H]3C(=O)Nc2ccc(F)c(Cl)c2)c1 Fc1ccc(cc1Cl)[*:1] Cc1cccc(c1)CSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2C(=O)N[*:1]
O=C([O-])CCNC(=O)N[C@@H]1CCOC1 O=C([O-])[*:1] O=C(NCC[*:1])N[C@@H]1CCOC1
O=C([O-])CCNC(=O)N[C@@H]1CCOC1 O=C([O-])C[*:1] O=C(NC[*:1])N[C@@H]1CCOC1
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2Cl)c1C Cc1cccc(c1C)[*:1] O=C(CN(C[C@@H]1CCCO1)C(=O)Cc1ccccc1Cl)N[*:1]
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2Cl)c1C Clc1ccccc1[*:1] Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)C[*:1])c1C
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2Cl)c1C Clc1ccccc1C[*:1] Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[*:1])c1C
O=C1C[C@H](c2ccccc2C(F)(F)F)[C@H]2C(=O)N=C(c3ccccc3)N=C2N1 c1ccc(cc1)[*:1] O=C1C[C@H](c2ccccc2C(F)(F)F)[C@H]2C(=O)N=C(N=C2N1)[*:1]
O=C1C[C@H](c2ccccc2C(F)(F)F)[C@H]2C(=O)N=C(c3ccccc3)N=C2N1 FC(F)(F)[*:1] O=C1C[C@H](c2ccccc2[*:1])[C@H]2C(=O)N=C(N=C2N1)c1ccccc1
C[C@H](NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(Cl)s1 c1coc(c1)[*:1] C[C@H](NC(=O)c1cc([nH]n1)[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)c1cc([nH]n1)-c1ccco1)[*:1]
C[C@H]1CCCCN1c1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1N c1ccc(cc1)[*:1] C[C@H]1CCCCN1c1ncnc(c1N)N(Cc1ccccc1)C[*:1]
C[C@H]1CCCCN1c1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1N c1ccc(cc1)C[*:1] C[C@H]1CCCCN1c1ncnc(c1N)N(Cc1ccccc1)[*:1]
Cc1nc(C2CCCC2)sc1-c1nc(-c2ccc(C#N)cn2)no1 C1CCC(C1)[*:1] Cc1nc(sc1-c1nc(no1)-c1ccc(C#N)cn1)[*:1]
Cc1nc(C2CCCC2)sc1-c1nc(-c2ccc(C#N)cn2)no1 N#Cc1ccc(nc1)[*:1] Cc1nc(sc1-c1nc(no1)[*:1])C1CCCC1
Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](C)[C@H](O)C3)c2C2CC2)cc1Cl C1CC1[*:1] Cc1ccc(cc1Cl)-n1ncc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1[*:1]
Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](C)[C@H](O)C3)c2C2CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1cnn(c1C1CC1)[*:1]
NC(=O)c1c(F)cccc1Nc1cccc(N)c1 NC(=O)[*:1] Nc1cccc(c1)Nc1cccc(F)c1[*:1]
O=C([O-])c1ccccc1/C=N/n1cnnc1SCc1ccccc1 c1ccc(cc1)CS[*:1] O=C([O-])c1ccccc1/C=N/n1cnnc1[*:1]
O=C([O-])c1ccccc1/C=N/n1cnnc1SCc1ccccc1 O=C([O-])[*:1] C(=N/n1cnnc1SCc1ccccc1)\c1ccccc1[*:1]
O=C([O-])c1ccccc1/C=N/n1cnnc1SCc1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1ccccc1/C=N/n1cnnc1SC[*:1]
O=C([O-])c1ccccc1/C=N/n1cnnc1SCc1ccccc1 c1ccc(cc1)C[*:1] O=C([O-])c1ccccc1/C=N/n1cnnc1S[*:1]
CC[NH2+]Cc1cnn(-c2ccc(Cl)c(F)c2)c1C1CC1 C1CC1[*:1] CC[NH2+]Cc1cnn(-c2ccc(Cl)c(F)c2)c1[*:1]
CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 C1CC(CCO1)O[*:1] CC1(C)Cc2occc2[C@H](C1)[NH2+]Cc1ccc(cc1)C[*:1]
CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 C1CC(CCO1)OC[*:1] CC1(C)Cc2occc2[C@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 C1CC(CCO1)[*:1] CC1(C)Cc2occc2[C@H](C1)[NH2+]Cc1ccc(cc1)CO[*:1]
CC[C@H](C#N)NCCCC(=O)NC1CC1 C1CC1[*:1] CC[C@H](C#N)NCCCC(=O)N[*:1]
CC[C@H](C#N)NCCCC(=O)NC1CC1 CC[C@H](C#N)[*:1] O=C(CCCN[*:1])NC1CC1
CC(=O)C1=CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@]12C CC(=O)[*:1] C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CC=C2[*:1]
CC1CCN(C(=O)c2cccc(NC(=O)c3ccccc3OC(C)C)c2)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)c1cccc(c1)NC(=O)c1ccccc1O[*:1]
CC1CCN(C(=O)c2cccc(NC(=O)c3ccccc3OC(C)C)c2)CC1 CC(C)O[*:1] CC1CCN(CC1)C(=O)c1cccc(c1)NC(=O)c1ccccc1[*:1]
CC1CCN(C(=O)c2cccc(NC(=O)c3ccccc3OC(C)C)c2)CC1 CC1CCN(CC1)C(=O)[*:1] CC(C)Oc1ccccc1C(=O)Nc1cccc(c1)[*:1]
CS(=O)(=O)Oc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2cccc(F)c2)cc1 CS(=O)(=O)O[*:1] O=C(Nc1cccc(F)c1)N(Cc1ccc(cc1)[*:1])C[C@H]1CCCO1
CS(=O)(=O)Oc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CS(=O)(=O)Oc1ccc(cc1)CN(C[C@H]1CCCO1)C(=O)N[*:1]
O=C([O-])C1([C@@H]2CCCC[C@H]2O)CCOCC1 O=C([O-])[*:1] O[C@@H]1CCCC[C@H]1C1(CCOCC1)[*:1]
COCCN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1=O COCC[*:1] O=C(N[C@@H]1CCN(C1)c1ccc(Cl)c(F)c1)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1=O Fc1cc(ccc1Cl)[*:1] COCCN1CCN(CC1=O)C(=O)N[C@@H]1CCN(C1)[*:1]
COCCN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)N[C@@H]1CCN(C1)c1ccc(Cl)c(F)c1
CC[C@H](CSC)N(C)C(=O)NCc1cccc2c1OCCCO2 CSC[*:1] CC[C@H](N(C)C(=O)NCc1cccc2OCCCOc12)[*:1]
CC(C)c1ccc(OC(=O)C[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] CC(C)c1ccc(cc1)OC(=O)[*:1]
CC(C)c1ccc(OC(=O)C[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CC(C)c1ccc(cc1)OC(=O)C[*:1]
CC(C)c1ccc(OC(=O)C[C@H]2CCCO2)cc1 CC(C)[*:1] O=C(C[C@H]1CCCO1)Oc1ccc(cc1)[*:1]
C[NH+](C)CCN(C(=O)c1ccco1)c1nc2ccc(S(C)(=O)=O)cc2s1 c1coc(c1)[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2ccc(cc2s1)S(C)(=O)=O
C[NH+](C)CCN(C(=O)c1ccco1)c1nc2ccc(S(C)(=O)=O)cc2s1 CS(=O)(=O)[*:1] C[NH+](C)CCN(C(=O)c1ccco1)c1nc2ccc(cc2s1)[*:1]
CC[C@H](C)[NH2+]CCc1n[nH]c(-c2ccco2)n1 c1coc(c1)[*:1] CC[C@H](C)[NH2+]CCc1n[nH]c(n1)[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)NCCc1c[nH]c2ccccc12 Brc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NCCc1c[nH]c2ccccc12
C[C@H](Oc1ccc(Br)cc1)C(=O)NCCc1c[nH]c2ccccc12 Brc1ccc(cc1)O[*:1] C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(C[NH+](C)C)c1 c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)Nc1cccc(c1)C[NH+](C)C)[*:1]
COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(C(N)=O)c1 NC(=O)[*:1] COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
C[C@H](OC(=O)[C@@H]1CCC[C@@H](C)C1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](OC(=O)[C@@H]1CCC[C@@H](C)C1)[*:1]
O=C1C[C@H](C(=O)N2CCOC[C@@H]2CCO)CN1c1cc(Cl)cc(Cl)c1 OCC[*:1] O=C1C[C@@H](CN1c1cc(Cl)cc(Cl)c1)C(=O)N1CCOC[C@H]1[*:1]
O=C1C[C@H](C(=O)N2CCOC[C@@H]2CCO)CN1c1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCOC[C@@H]1CCO
CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2F)CC1 Clc1ccc(cc1Cl)[*:1] CN1CCN(CC1)S(=O)(=O)c1cc(ccc1F)C(=O)N[*:1]
CS(=O)(=O)N1CCC(NC(=O)c2ccc(C(F)(F)F)nc2)CC1 FC(F)(F)[*:1] CS(=O)(=O)N1CCC(CC1)NC(=O)c1ccc(nc1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1)C1CCCC1 CC(=O)N[*:1] O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)[C@@H](C1CCCC1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1)C1CCCC1 c1ccc(cc1)C[*:1] CC(=O)N[C@@H](C(=O)Nc1ccc(N[*:1])c(Cl)c1)C1CCCC1
CC(=O)N[C@@H](C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1)C1CCCC1 c1ccc(cc1)CN[*:1] CC(=O)N[C@@H](C(=O)Nc1ccc(c(Cl)c1)[*:1])C1CCCC1
CC(=O)N[C@@H](C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1)C1CCCC1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](C(=O)Nc1ccc(NC[*:1])c(Cl)c1)C1CCCC1
CCC(CC)[C@H](CNC(=O)c1cnc2c(C)cccn2c1=O)[NH+](C)C CCC(CC)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NC[C@H]([NH+](C)C)[*:1]
C=CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)cc1OC COc1ccc(c(c1)OC)[*:1] C=CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1[*:1]
C=CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)cc1OC C=CCOC(=O)[*:1] COc1ccc(c(c1)OC)[C@@H]1C(=C(C)Nc2c1c(=O)n(C)c(=O)n2C)[*:1]
C=CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)cc1OC C=CC[*:1] COc1ccc(c(c1)OC)[C@@H]1C(C(=O)O[*:1])=C(C)Nc2c1c(=O)n(C)c(=O)n2C
Cc1cccc(O[C@H](C)C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N[C@@]1(C)CCS(=O)(=O)C1
C[C@@H](CS(C)(=O)=O)NC(=O)CCN1C(=O)CCc2ccccc21 CS(=O)(=O)C[*:1] C[C@@H](NC(=O)CCN1C(=O)CCc2ccccc21)[*:1]
C[C@@H](CS(C)(=O)=O)NC(=O)CCN1C(=O)CCc2ccccc21 CS(=O)(=O)[*:1] C[C@@H](C[*:1])NC(=O)CCN1C(=O)CCc2ccccc21
CCC[NH2+][C@H]1[C@H](S(=O)(=O)C(C)C)CCC1(C)C CC(C)[*:1] CCC[NH2+][C@H]1[C@@H](CCC1(C)C)S(=O)(=O)[*:1]
CCC[NH2+][C@H]1[C@H](S(=O)(=O)C(C)C)CCC1(C)C CCC[*:1] CC(C)S(=O)(=O)[C@@H]1CCC(C)(C)[C@H]1[NH2+][*:1]
Cc1ccc(CCNC(=O)c2cc(C)c3c(=O)[nH]c([O-])nc3n2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(nc2nc([O-])[nH]c(=O)c12)C(=O)NC[*:1]
Cc1ccc(CCNC(=O)c2cc(C)c3c(=O)[nH]c([O-])nc3n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(nc2nc([O-])[nH]c(=O)c12)C(=O)NCC[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 CC(C)NS(=O)(=O)[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 CC(C)[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(cc1)S(=O)(=O)N[*:1]
Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@H](O)COc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@H](O)CO[*:1]
Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@H](O)COc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@H](O)C[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(c(F)c1)[*:1]
CC[C@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C)c1c(C)nn(C)c1C CC(C)(C)[*:1] CC[C@H](NC(=O)N[C@H](c1ccccc1)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C)[*:1]
CC[C@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C)c1c(C)nn(C)c1C c1ccc(cc1)[*:1] CC[C@H](NC(=O)N[C@H](C(C)(C)C)[*:1])c1c(C)nn(C)c1C
O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc(Cl)cc1 C1CC1[*:1] O=S(=O)([N-]c1ccc2nc(oc2c1)[*:1])c1ccc(Cl)cc1
O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)([N-]c1ccc2nc(oc2c1)C1CC1)[*:1]
O=C(NCc1ncc(-c2ccccc2)o1)N[C@@H]1CCC[C@@H]1CO c1ccc(cc1)[*:1] O=C(NCc1ncc(o1)[*:1])N[C@@H]1CCC[C@@H]1CO
O=c1[nH]c2ccc(-c3csc(NC[C@H]4CCCO4)n3)cc2[nH]1 C1CO[C@H](C1)C[*:1] O=c1[nH]c2ccc(cc2[nH]1)-c1csc(n1)N[*:1]
O=c1[nH]c2ccc(-c3csc(NC[C@H]4CCCO4)n3)cc2[nH]1 C1CO[C@H](C1)CN[*:1] O=c1[nH]c2ccc(cc2[nH]1)-c1csc(n1)[*:1]
O=c1[nH]c2ccc(-c3csc(NC[C@H]4CCCO4)n3)cc2[nH]1 C1CO[C@H](C1)[*:1] O=c1[nH]c2ccc(cc2[nH]1)-c1csc(n1)NC[*:1]
FC(F)(F)c1[nH]nc2c1CN(Cc1ccccc1)CC2 FC(F)(F)[*:1] c1ccc(cc1)CN1CCc2n[nH]c(c2C1)[*:1]
FC(F)(F)c1[nH]nc2c1CN(Cc1ccccc1)CC2 c1ccc(cc1)[*:1] FC(F)(F)c1[nH]nc2CCN(Cc21)C[*:1]
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 CC(C)(C)[*:1] O=C(N/N=C/c1ccc2OCOc2c1)c1ccc(cc1)[*:1]
CCc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)s1 CCc1ccc(s1)[*:1] C[NH+](C)C1(CCOCC1)CNS(=O)(=O)[*:1]
COc1c(C)cccc1CN1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 COc1c(C)cccc1[*:1] CN(CCO)C(=O)c1cc(nc2ccccc12)[C@H]1CN(CCO1)C[*:1]
COc1c(C)cccc1CN1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 OCC[*:1] COc1c(C)cccc1CN1CCO[C@H](C1)c1cc(C(=O)N(C)[*:1])c2ccccc2n1
COc1c(C)cccc1CN1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 CN(CCO)C(=O)[*:1] COc1c(C)cccc1CN1CCO[C@H](C1)c1cc(c2ccccc2n1)[*:1]
COc1c(C)cccc1CN1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 COc1c(C)cccc1C[*:1] CN(CCO)C(=O)c1cc(nc2ccccc12)[C@H]1CN(CCO1)[*:1]
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)Nc1cnc(s1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(-c2ccccc2)s1 O=[N+]([O-])[*:1] Cc1ccc(cc1C(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
O=C(CS(=O)(=O)C1CCCC1)NCc1cc(F)cc(F)c1 C1CCC(C1)[*:1] O=C(CS(=O)(=O)[*:1])NCc1cc(F)cc(F)c1
C[C@H]1CCOCCN1C(=O)NCc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] C[C@H]1CCOCCN1C(=O)NCc1ccc(nc1)[*:1]
CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCc3cccnc3)c12 c1cncc(c1)C[*:1] CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N[*:1])c12
CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCc3cccnc3)c12 c1cncc(c1)[*:1] CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NC[*:1])c12
Cc1nc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)sc1C(=O)OCC(C)C Clc1ccc(cc1)[*:1] Cc1nc(NC(=O)c2nn(ccc2=O)[*:1])sc1C(=O)OCC(C)C
Cc1nc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)sc1C(=O)OCC(C)C CC(C)COC(=O)[*:1] Cc1nc(NC(=O)c2nn(ccc2=O)-c2ccc(Cl)cc2)sc1[*:1]
Cc1nc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)sc1C(=O)OCC(C)C CC(C)C[*:1] Cc1nc(NC(=O)c2nn(ccc2=O)-c2ccc(Cl)cc2)sc1C(=O)O[*:1]
Cc1nc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)sc1C(=O)OCC(C)C CC(C)[*:1] Cc1nc(NC(=O)c2nn(ccc2=O)-c2ccc(Cl)cc2)sc1C(=O)OC[*:1]
O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)c1ccccn1 c1ccc(nc1)[*:1] O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
CC[C@H](C)NC(=O)c1sc(C)cc1OC CC[C@H](C)[*:1] COc1cc(C)sc1C(=O)N[*:1]
C=CCN(C(=O)c1cccc(NC(C)=O)c1)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C=CCN(C(=O)c1cccc(c1)NC(C)=O)c1nc(cs1)[*:1]
C=CCN(C(=O)c1cccc(NC(C)=O)c1)c1nc(-c2ccccc2)cs1 CC(=O)N[*:1] C=CCN(C(=O)c1cccc(c1)[*:1])c1nc(cs1)-c1ccccc1
C=CCN(C(=O)c1cccc(NC(C)=O)c1)c1nc(-c2ccccc2)cs1 C=CC[*:1] CC(=O)Nc1cccc(c1)C(=O)N(c1nc(cs1)-c1ccccc1)[*:1]
Cc1ccc(Oc2cccc(C(=O)Nc3nccs3)c2)nn1 Cc1ccc(nn1)[*:1] O=C(Nc1nccs1)c1cccc(c1)O[*:1]
Cc1ccc(Oc2cccc(C(=O)Nc3nccs3)c2)nn1 c1csc(n1)[*:1] Cc1ccc(nn1)Oc1cccc(c1)C(=O)N[*:1]
CCCCC(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 CCC[*:1] O=C(C[*:1])OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1
CCCCC(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 c1ccc(cc1)[*:1] CCCCC(=O)OCc1nc2scc(c2c(=O)[nH]1)[*:1]
CCCCC(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 CCCC[*:1] O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)[*:1]
CCCCC(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 CCCCC(=O)OC[*:1] O=c1[nH]c(nc2scc(-c3ccccc3)c12)[*:1]
CCCCC(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 CCCCC(=O)O[*:1] O=c1[nH]c(C[*:1])nc2scc(-c3ccccc3)c12
Cc1nc(-c2cnn(C)c2)sc1C(=O)Oc1cc(F)cc(Br)c1 Cn1cc(cn1)[*:1] Cc1nc(sc1C(=O)Oc1cc(F)cc(Br)c1)[*:1]
CC(=O)Oc1ccc(C(=O)NNC(=O)c2cccnc2)cc1 CC(=O)O[*:1] O=C(NNC(=O)c1cccnc1)c1ccc(cc1)[*:1]
CC(=O)Oc1ccc(C(=O)NNC(=O)c2cccnc2)cc1 c1cncc(c1)[*:1] CC(=O)Oc1ccc(cc1)C(=O)NNC(=O)[*:1]
NC(=O)c1ccsc1NC(=O)COC(=O)c1cccc(-n2cccc2)c1 NC(=O)[*:1] O=C(COC(=O)c1cccc(c1)-n1cccc1)Nc1sccc1[*:1]
NC(=O)c1ccsc1NC(=O)COC(=O)c1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] NC(=O)c1ccsc1NC(=O)COC(=O)c1cccc(c1)[*:1]
NC(=O)c1ccsc1NC(=O)COC(=O)c1cccc(-n2cccc2)c1 NC(=O)c1ccsc1[*:1] O=C(COC(=O)c1cccc(c1)-n1cccc1)N[*:1]
Cc1cc(C(=O)NCC2CCN(C(=O)Cc3cccs3)CC2)no1 c1csc(c1)[*:1] Cc1cc(no1)C(=O)NCC1CCN(CC1)C(=O)C[*:1]
Cc1cc(C(=O)NCC2CCN(C(=O)Cc3cccs3)CC2)no1 Cc1cc(no1)[*:1] O=C(Cc1cccs1)N1CCC(CC1)CNC(=O)[*:1]
Cc1cc(C(=O)NCC2CCN(C(=O)Cc3cccs3)CC2)no1 c1csc(c1)C[*:1] Cc1cc(no1)C(=O)NCC1CCN(CC1)C(=O)[*:1]
Fc1cccc([C@H](C[NH2+]C2CC2)Cc2cccs2)c1 c1csc(c1)[*:1] Fc1cccc(c1)[C@H](C[NH2+]C1CC1)C[*:1]
Fc1cccc([C@H](C[NH2+]C2CC2)Cc2cccs2)c1 C1CC1[*:1] Fc1cccc(c1)[C@H](C[NH2+][*:1])Cc1cccs1
Fc1cccc([C@H](C[NH2+]C2CC2)Cc2cccs2)c1 c1csc(c1)C[*:1] Fc1cccc(c1)[C@H](C[NH2+]C1CC1)[*:1]
CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 CC(C)C(=O)N[*:1] N#Cc1cccnc1N1CCC(CC1)CNS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 N#Cc1cccnc1[*:1] CC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)NCC1CCN(CC1)[*:1]
CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 CC(C)[*:1] N#Cc1cccnc1N1CCC(CC1)CNS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CNC(=O)CN1CCN(C(=O)c2nc(C)n[nH]2)CC1 CNC(=O)C[*:1] Cc1n[nH]c(n1)C(=O)N1CCN(CC1)[*:1]
CNC(=O)CN1CCN(C(=O)c2nc(C)n[nH]2)CC1 Cc1n[nH]c(n1)[*:1] CNC(=O)CN1CCN(CC1)C(=O)[*:1]
CNC(=O)CN1CCN(C(=O)c2nc(C)n[nH]2)CC1 CNC(=O)[*:1] Cc1n[nH]c(n1)C(=O)N1CCN(CC1)C[*:1]
CC(C)(C)c1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 c1cncc(c1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N(C[*:1])c1nc2ccc(cc2s1)S(C)(=O)=O
CC(C)(C)c1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 c1cncc(c1)C[*:1] CC(C)(C)c1ccc(cc1)C(=O)N(c1nc2ccc(cc2s1)S(C)(=O)=O)[*:1]
CC(C)(C)c1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 CS(=O)(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N(Cc1cccnc1)c1nc2ccc(cc2s1)[*:1]
CC(C)(C)c1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 CC(C)(C)c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(Cc1cccnc1)C(=O)[*:1]
CC(C)(C)c1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 CC(C)(C)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(Cc1cccnc1)C(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCN(CC(N)=O)CC2)cc1 NC(=O)C[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)N1CCN(CC1)[*:1]
CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCN(CC(N)=O)CC2)cc1 NC(=O)[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C[*:1]
CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCN(CC(N)=O)CC2)cc1 CC(C)[*:1] NC(=O)CN1CCN(CC1)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)[*:1]
Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3nnc(CCNC(=O)c4ccccc4Cl)s3)CC2=O)c1 O=C(NC[*:1])c1ccccc1Cl Cc1ccc(C)c(c1)N1C[C@H](CC1=O)C(=O)Nc1nnc(C[*:1])s1
Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3nnc(CCNC(=O)c4ccccc4Cl)s3)CC2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCCc1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1)c1ccccc1Cl
Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3nnc(CCNC(=O)c4ccccc4Cl)s3)CC2=O)c1 O=C(N[*:1])c1ccccc1Cl Cc1ccc(C)c(c1)N1C[C@H](CC1=O)C(=O)Nc1nnc(CC[*:1])s1
Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3nnc(CCNC(=O)c4ccccc4Cl)s3)CC2=O)c1 Clc1ccccc1[*:1] Cc1ccc(C)c(c1)N1C[C@H](CC1=O)C(=O)Nc1nnc(CCNC(=O)[*:1])s1
Cc1ccc([N+](=O)[O-])c(C)c1OCC(N)=O NC(=O)CO[*:1] Cc1ccc(c(C)c1[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1OCC(N)=O NC(=O)C[*:1] Cc1ccc(c(C)c1O[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1OCC(N)=O NC(=O)[*:1] Cc1ccc(c(C)c1OC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1OCC(N)=O O=[N+]([O-])[*:1] Cc1ccc(c(C)c1OCC(N)=O)[*:1]
O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(-n2cc(Br)cn2)nn1 c1ncn(n1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc(nn1)-n1cc(Br)cn1
O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(-n2cc(Br)cn2)nn1 Brc1cnn(c1)[*:1] O=C(Nc1ccc(cc1)Cn1cncn1)c1ccc(nn1)[*:1]
O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(-n2cc(Br)cn2)nn1 c1ncn(C[*:1])n1 O=C(Nc1ccc(cc1)[*:1])c1ccc(nn1)-n1cc(Br)cn1
Cc1cccc(NC(=O)Nc2cc(NC(=O)Nc3cccc(C)c3)c(C)nc2C)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)Nc1cc(NC(=O)N[*:1])c(C)nc1C
COCC[N+]1=C(C)C[C@@H](C(=O)CSc2nccc([O-])n2)[C@H]1C [O-]c1ccnc(n1)[*:1] COCC[N+]1=C(C)C[C@@H](C(=O)CS[*:1])[C@H]1C
COCC[N+]1=C(C)C[C@@H](C(=O)CSc2nccc([O-])n2)[C@H]1C COC[*:1] CC1C[C@@H](C(=O)CSc2nccc([O-])n2)[C@@H](C)[N+]=1C[*:1]
COCC[N+]1=C(C)C[C@@H](C(=O)CSc2nccc([O-])n2)[C@H]1C COCC[*:1] CC1C[C@@H](C(=O)CSc2nccc([O-])n2)[C@@H](C)[N+]=1[*:1]
CNC(=O)Cn1ccc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc21 O=[N+]([O-])[*:1] CNC(=O)Cn1ccc2ccc(cc21)NC(=O)Cc1cccc(c1)[*:1]
CNC(=O)Cn1ccc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc21 CNC(=O)[*:1] O=C(Cc1cccc(c1)[N+](=O)[O-])Nc1ccc2ccn(C[*:1])c2c1
CNC(=O)Cn1ccc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc21 O=[N+]([O-])c1cccc(c1)[*:1] CNC(=O)Cn1ccc2ccc(cc21)NC(=O)C[*:1]
CNC(=O)Cn1ccc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc21 CNC(=O)C[*:1] O=C(Cc1cccc(c1)[N+](=O)[O-])Nc1ccc2ccn(c2c1)[*:1]
Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CC(O)C3)[C@H]4C2=O)cc1 Cc1ccc(cc1)[*:1] O=C([C@H]1[C@@H]2C=C[C@@]3(CN(CC[*:1])C(=O)[C@H]13)O2)N1CC(O)C1
Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CC(O)C3)[C@H]4C2=O)cc1 Cc1ccc(cc1)C[*:1] O=C([C@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@H]13)O2)N1CC(O)C1
Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CC(O)C3)[C@H]4C2=O)cc1 Cc1ccc(cc1)CC[*:1] O=C([C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2)N1CC(O)C1
Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CC(O)C3)[C@H]4C2=O)cc1 O=C(N1CC(O)C1)[*:1] Cc1ccc(cc1)CCN1C[C@]23C=C[C@H](O2)[C@H]([C@H]3C1=O)[*:1]
CCn1nc(C)cc1C(=O)Nc1nc(-c2ccco2)cs1 c1coc(c1)[*:1] CCn1nc(C)cc1C(=O)Nc1nc(cs1)[*:1]
O=C(c1ccc(-c2ccccc2)cc1)N1CCN=C1SCc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CCN=C1SC[*:1]
O=C(c1ccc(-c2ccccc2)cc1)N1CCN=C1SCc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CCN=C1S[*:1]
O=C(c1ccc(-c2ccccc2)cc1)N1CCN=C1SCc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN=C1SCc1cccc(F)c1
COc1ccc(OCCCC(=O)N[C@@H]2CCOc3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C(CCCO[*:1])N[C@@H]1CCOc2ccccc21
CCn1c(CC[NH3+])nnc1Sc1ncnc2ccc(F)cc12 [NH3+]CC[*:1] CCn1c(nnc1[*:1])Sc1ncnc2ccc(F)cc12
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1ccccc1F Fc1ccccc1[*:1] CC(C)[C@H](NS(=O)(=O)[*:1])C(=O)N(C)Cc1ccccc1F
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1ccccc1F Fc1ccccc1[*:1] CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)C[*:1]
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1ccccc1F Fc1ccccc1C[*:1] CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)[*:1]
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1ccccc1F CC(C)[*:1] CN(Cc1ccccc1F)C(=O)[C@@H](NS(=O)(=O)c1ccccc1F)[*:1]
CC[C@H](C(=O)Nc1cc(Cl)cc(Br)c1O)N1CCCC1=O O=C1CCCN1[*:1] CC[C@H](C(=O)Nc1cc(Cl)cc(Br)c1O)[*:1]
Cn1ncnc1NC(=O)NCCCC[NH+]1CCCC1 Cn1ncnc1[*:1] O=C(NCCCC[NH+]1CCCC1)N[*:1]
C=CCNC(=O)/C(C#N)=C\c1ccc(OCC)cc1 CCO[*:1] C=CCNC(=O)/C(C#N)=C\c1ccc(cc1)[*:1]
C=CCNC(=O)/C(C#N)=C\c1ccc(OCC)cc1 C=CC[*:1] CCOc1ccc(/C=C(/C#N)C(=O)N[*:1])cc1
C=CCNC(=O)/C(C#N)=C\c1ccc(OCC)cc1 C=CCNC(=O)[*:1] CCOc1ccc(C=C(C#N)[*:1])cc1
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NN1CCOCC1 CC(C)[*:1] O=C(N[C@H](C(=O)NN1CCOCC1)[*:1])c1cccs1
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NN1CCOCC1 c1csc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NN1CCOCC1
CC[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] CC[NH2+]Cc1ccc(cc1)OCC(=O)N[*:1]
CN(c1cc(C[NH3+])ccn1)C1CCCC1 C1CCC(C1)[*:1] CN(c1cc(ccn1)C[NH3+])[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)Nc1cccc(C(=O)NCCC)c1 CCC[*:1] C=C1c2ccccc2C(=O)N1CC(=O)Nc1cccc(c1)C(=O)N[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)Nc1cccc(C(=O)NCCC)c1 CCCNC(=O)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)Nc1cccc(c1)[*:1]
CC(C)NC(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 CC(C)NC(=O)CC[*:1] O=C(N[*:1])[C@@H]1C[C@@H]1c1cccc2ccccc12
CC(C)NC(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 CC(C)NC(=O)[*:1] O=C(NCC[*:1])[C@@H]1C[C@@H]1c1cccc2ccccc12
CC(C)NC(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 CC(C)NC(=O)C[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1cccc2ccccc12
CC(C)NC(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 CC(C)[*:1] O=C(CCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)N[*:1]
CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)c1c(F)cccc1F CC(=O)N[*:1] CC(C)(C)[C@H](NC(=O)C[C@@H](c1c(F)cccc1F)[*:1])C(N)=O
CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)c1c(F)cccc1F CC(C)(C)[C@@H](C(N)=O)[*:1] CC(=O)N[C@@H](CC(=O)N[*:1])c1c(F)cccc1F
CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)c1c(F)cccc1F Fc1cccc(F)c1[*:1] CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)[*:1]
CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)c1c(F)cccc1F NC(=O)[*:1] CC(=O)N[C@@H](CC(=O)N[C@H](C(C)(C)C)[*:1])c1c(F)cccc1F
CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)c1c(F)cccc1F CC(C)(C)[*:1] CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)[*:1])c1c(F)cccc1F
O=C(Cc1ccc2ccccc2c1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(Cc1ccc2ccccc2c1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(Cc1ccc2ccccc2c1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] O=C(Cc1ccc2ccccc2c1)N([C@H]1CCS(=O)(=O)C1)[*:1]
C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](C/C=C/c3ccco3)CC2)C1 C(=C[*:1])c1ccco1 C[C@H]1CCC[C@@H](C1)NC(=O)CN1CC[NH+](CC1)C[*:1]
C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](C/C=C/c3ccco3)CC2)C1 c1coc(c1)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)CN1CC[NH+](CC=C[*:1])CC1
C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](C/C=C/c3ccco3)CC2)C1 C[C@H]1CCC[C@H](C1)[*:1] O=C(CN1CC[NH+](C/C=C/c2ccco2)CC1)N[*:1]
C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](C/C=C/c3ccco3)CC2)C1 C(=C/c1ccco1)\C[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)CN1CC[NH+](CC1)[*:1]
CS(=O)(=O)NCC[NH2+]Cc1ccc(C(=O)[O-])cn1 CS(=O)(=O)NC[*:1] O=C([O-])c1ccc(C[NH2+]C[*:1])nc1
CS(=O)(=O)NCC[NH2+]Cc1ccc(C(=O)[O-])cn1 O=C([O-])[*:1] CS(=O)(=O)NCC[NH2+]Cc1ccc(cn1)[*:1]
CS(=O)(=O)NCC[NH2+]Cc1ccc(C(=O)[O-])cn1 CS(=O)(=O)N[*:1] O=C([O-])c1ccc(C[NH2+]CC[*:1])nc1
Cc1cnn(CCCNC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 Cc1cnn(c1)C[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)NCC[*:1]
Cc1cnn(CCCNC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 Cc1cnn(c1)[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)NCCC[*:1]
Cc1cnn(CCCNC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 Cc1cnn(c1)CC[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)NC[*:1]
Cc1ccccc1CC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C Cc1ccccc1C[*:1] CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)[*:1]
Cc1ccccc1CC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ccccc1CC(=O)N1CCC[C@@H]1CNC(=O)O[*:1]
Cc1ccccc1CC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] Cc1ccccc1CC(=O)N1CCC[C@@H]1C[*:1]
Cc1ccccc1CC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C Cc1ccccc1[*:1] CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)C[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)Cc2cccc(Cl)c2)cc1 Clc1cccc(c1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)Cc2cccc(Cl)c2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)Cc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C[*:1]
CC(C)CC[C@@H](C)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)Nc1ccc(c(F)c1)[S@@](C)=O
CC(C)CC[C@@H](C)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)Nc1ccc(c(F)c1)[S@@](C)=O
CC(C)CC[C@@H](C)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 CC(C)CC[*:1] C[C@@H](NC(=O)Nc1ccc(c(F)c1)[S@@](C)=O)[*:1]
CC(C)CC[C@@H](C)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 CC(C)CC[C@@H](C)[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)N[*:1]
CC(C)CC[C@@H](C)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 C[S@@](=O)[*:1] CC(C)CC[C@@H](C)NC(=O)Nc1ccc(c(F)c1)[*:1]
Fc1cccc(Oc2nc(-c3ccncc3)nc3c2CCC3)c1F c1cc(ccn1)[*:1] Fc1cccc(Oc2nc(nc3CCCc32)[*:1])c1F
Fc1cccc(Oc2nc(-c3ccncc3)nc3c2CCC3)c1F Fc1cccc(c1F)[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)O[*:1]
Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(-n3cccc3)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(COC(=O)c1ccc(cc1)-n1cccc1)NC(=O)N[*:1]
Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(-n3cccc3)cc2)c(C)c1 c1ccn(c1)[*:1] Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(cc2)[*:1])c(C)c1
CCCN1CCO[C@H]([C@H](O)Cc2cc(C)cc(C)c2)C1 CCC[*:1] Cc1cc(C)cc(c1)C[C@@H](O)[C@@H]1CN(CCO1)[*:1]
CN(C)/C=C/C(=O)Oc1ccc(Cl)cc1 CN(C)[*:1] O=C(C=C[*:1])Oc1ccc(Cl)cc1
CN(C)/C=C/C(=O)Oc1ccc(Cl)cc1 CN(C)C=C[*:1] O=C(Oc1ccc(Cl)cc1)[*:1]
COC(=O)c1sc(NC(=O)Cc2csc(C(C)C)n2)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)Cc1csc(n1)C(C)C
COC(=O)c1sc(NC(=O)Cc2csc(C(C)C)n2)nc1C1CC1 COC(=O)[*:1] CC(C)c1nc(cs1)CC(=O)Nc1nc(c(s1)[*:1])C1CC1
COC(=O)c1sc(NC(=O)Cc2csc(C(C)C)n2)nc1C1CC1 CC(C)c1nc(cs1)[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)C[*:1]
COC(=O)c1sc(NC(=O)Cc2csc(C(C)C)n2)nc1C1CC1 CC(C)[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)Cc1csc(n1)[*:1]
O=C(NC[C@@H](O)c1ccco1)c1csc2c1CCCC2 c1coc(c1)[*:1] O=C(NC[C@@H](O)[*:1])c1csc2CCCCc12
Cc1ccc2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 O=[N+]([O-])[*:1] Cc1ccc2nc(NC(=O)c3ccc(c(c3)[*:1])N3CCCC3)sc2c1
Cc1ccc2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 C1CCN(C1)[*:1] Cc1ccc2nc(NC(=O)c3ccc(c(c3)[N+](=O)[O-])[*:1])sc2c1
Cc1ccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(C)c3)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1cccc(c1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH+](CC1)[*:1]
Cc1ccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(C)c3)CC2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)C[NH+]1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
Cc1ccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(C)c3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH+](CC1)C[*:1]
Cc1ccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(C)c3)CC2)cc1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1)C[NH+]1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccccc3Cl)CC(=O)N21 Clc1ccccc1[*:1] CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CC(=O)N21)C[*:1]
CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccccc3Cl)CC(=O)N21 Clc1ccccc1C[*:1] CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
O=C(COC(=O)c1ccnnc1)Nc1ccc(C(F)(F)F)cc1 c1cc(cnn1)[*:1] O=C(COC(=O)[*:1])Nc1ccc(cc1)C(F)(F)F
O=C(COC(=O)c1ccnnc1)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(COC(=O)c1ccnnc1)Nc1ccc(cc1)[*:1]
CC1CCC(NC(=O)CCc2nc(C(C)(C)C)no2)CC1 CC(C)(C)[*:1] CC1CCC(CC1)NC(=O)CCc1nc(no1)[*:1]
CC1CCC(NC(=O)CCc2nc(C(C)(C)C)no2)CC1 CC1CCC(CC1)[*:1] CC(C)(C)c1noc(CCC(=O)N[*:1])n1
CC(=O)NNC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])cc1 CC(=O)NNC(=O)[*:1] O=C(Nc1sccc1[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(=O)NNC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)NNC(=O)c1ccsc1NC(=O)c1ccc(cc1)[*:1]
CCC[C@@H](C(=O)Nc1ccc(C)nc1C)/C(N)=N/O N/C(=N\O)[*:1] CCC[C@@H](C(=O)Nc1ccc(C)nc1C)[*:1]
CCC[C@@H](C(=O)Nc1ccc(C)nc1C)/C(N)=N/O CCC[*:1] Cc1ccc(NC(=O)[C@@H](/C(N)=N/O)[*:1])c(C)n1
C[C@H](C#N)Sc1nc(-c2ccccc2)cs1 C[C@H](C#N)S[*:1] c1ccc(cc1)-c1csc(n1)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccn1 c1ccc(nc1)[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)NC[*:1]
Cc1ccoc1[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 c1cc(ccn1)[*:1] Cc1ccoc1[C@@H](C)[NH2+]C1CCN(CC1)[C@@H](C)[*:1]
Cc1ccoc1[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 Cc1ccoc1[*:1] C[C@@H](c1ccncc1)N1CCC(CC1)[NH2+][C@H](C)[*:1]
O=C(c1ccccc1Nc1cccc(C(F)(F)F)c1)N1CCCCC1 O=C(N1CCCCC1)[*:1] FC(F)(F)c1cccc(c1)Nc1ccccc1[*:1]
O=C(c1ccccc1Nc1cccc(C(F)(F)F)c1)N1CCCCC1 FC(F)(F)[*:1] O=C(c1ccccc1Nc1cccc(c1)[*:1])N1CCCCC1
CC(C)Oc1ccccc1NC(=O)C(=O)NCc1ccncc1 CC(C)O[*:1] O=C(NCc1ccncc1)C(=O)Nc1ccccc1[*:1]
CC(C)Oc1ccccc1NC(=O)C(=O)NCc1ccncc1 c1cc(ccn1)[*:1] CC(C)Oc1ccccc1NC(=O)C(=O)NC[*:1]
CC(C)Oc1ccccc1NC(=O)C(=O)NCc1ccncc1 CC(C)[*:1] O=C(NCc1ccncc1)C(=O)Nc1ccccc1O[*:1]
CC(C)Oc1ccccc1NC(=O)C(=O)NCc1ccncc1 c1cc(ccn1)C[*:1] CC(C)Oc1ccccc1NC(=O)C(=O)N[*:1]
CCC(=O)Nc1cc(C(=O)OCC(=O)c2cccs2)ccc1C c1csc(c1)[*:1] CCC(=O)Nc1cc(ccc1C)C(=O)OCC(=O)[*:1]
CCC(=O)Nc1cc(C(=O)OCC(=O)c2cccs2)ccc1C O=C(c1cccs1)[*:1] CCC(=O)Nc1cc(ccc1C)C(=O)OC[*:1]
CCC(=O)Nc1cc(C(=O)OCC(=O)c2cccs2)ccc1C CCC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)OCC(=O)c1cccs1
CCS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)nn2C)C1 CCS[*:1] Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C2)[*:1])n(C)n1
CCS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)nn2C)C1 Cc1cc(n(C)n1)[*:1] CCS[C@@H]1CC[C@H](C1)NC(=O)C(=O)N[*:1]
O=C(NC1CCCCCC1)N[C@H]1CCSc2c(F)cccc21 C1CCCC(CC1)[*:1] O=C(N[C@H]1CCSc2c(F)cccc21)N[*:1]
CCCCOc1ccc(C(=O)NCc2ccccc2Cl)cc1 CCCCO[*:1] O=C(NCc1ccccc1Cl)c1ccc(cc1)[*:1]
CCCCOc1ccc(C(=O)NCc2ccccc2Cl)cc1 CCCC[*:1] O=C(NCc1ccccc1Cl)c1ccc(cc1)O[*:1]
CCCCOc1ccc(C(=O)NCc2ccccc2Cl)cc1 CCC[*:1] O=C(NCc1ccccc1Cl)c1ccc(cc1)OC[*:1]
CCCCOc1ccc(C(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCCCOc1ccc(cc1)C(=O)NC[*:1]
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1ccccc1N1CCOCC1)C(=O)C2 C1CN(CCO1)[*:1] CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1ccccc1[*:1])C(=O)C2
COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 O=C1CCCN1[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 COc1cccc(c1)[*:1] O=C1CCCN1c1ccc(cc1)NC(=O)N1CCC[C@@H]1[*:1]
C=CCN1C(=O)/C(=C/c2cccc(C)c2)S/C1=N/c1nnc(C)s1 Cc1cccc(c1)[*:1] C=CCN1C(=O)C(=C[*:1])S/C1=N/c1nnc(C)s1
C=CCN1C(=O)/C(=C/c2cccc(C)c2)S/C1=N/c1nnc(C)s1 C=CC[*:1] Cc1cccc(/C=C2\S/C(=N/c3nnc(C)s3)N(C2=O)[*:1])c1
C=CCN1C(=O)/C(=C/c2cccc(C)c2)S/C1=N/c1nnc(C)s1 Cc1nnc(s1)[*:1] C=CCN1C(=O)/C(=C/c2cccc(C)c2)SC1=N[*:1]
c1ccc(-c2csc3ncnc(Nc4ccc5c(c4)OCCO5)c23)cc1 c1ccc(cc1)[*:1] c1nc(Nc2ccc3OCCOc3c2)c2c(csc2n1)[*:1]
Cc1csc(C2([NH2+]Cc3cnc(-c4ccsc4)s3)CCCC2)n1 Cc1csc(n1)[*:1] c1cc(cs1)-c1ncc(C[NH2+]C2(CCCC2)[*:1])s1
Cc1csc(C2([NH2+]Cc3cnc(-c4ccsc4)s3)CCCC2)n1 c1cc(cs1)[*:1] Cc1csc(n1)C1(CCCC1)[NH2+]Cc1cnc(s1)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Oc2cccc(OC)c2)C1 O=C([O-])[*:1] CC[NH2+][C@]1(CC[C@H](C1)Oc1cccc(c1)OC)[*:1]
Cc1cccc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)c1 Cc1cccc(c1)[*:1] O=C(c1cc(on1)C1CC1)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)c1 C1CC1[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)c1cc(on1)[*:1]
Cc1nc(Nc2ccc(OCC3CCOCC3)cc2)c2cc[nH]c2n1 C1CC(CCO1)C[*:1] Cc1nc(Nc2ccc(cc2)O[*:1])c2cc[nH]c2n1
Cc1nc(Nc2ccc(OCC3CCOCC3)cc2)c2cc[nH]c2n1 C1CC(CCO1)[*:1] Cc1nc(Nc2ccc(cc2)OC[*:1])c2cc[nH]c2n1
Cc1nc(Nc2ccc(OCC3CCOCC3)cc2)c2cc[nH]c2n1 C1CC(CCO1)CO[*:1] Cc1nc(Nc2ccc(cc2)[*:1])c2cc[nH]c2n1
CCSC1(CNC(=O)Nc2cc(-c3ccccc3)on2)CCOCC1 c1ccc(cc1)[*:1] CCSC1(CCOCC1)CNC(=O)Nc1cc(on1)[*:1]
CCSC1(CNC(=O)Nc2cc(-c3ccccc3)on2)CCOCC1 CCS[*:1] O=C(NCC1(CCOCC1)[*:1])Nc1cc(on1)-c1ccccc1
NNC(=O)[C@@H]1CC[C@H](CSc2cccc(F)c2)O1 NNC(=O)[*:1] Fc1cccc(c1)SC[C@H]1CC[C@H](O1)[*:1]
CC[C@@H]1Oc2ccc(NC(=O)OCc3ccccc3)cc2CN([C@H](C)CC)C1=O c1ccc(cc1)C[*:1] CC[C@@H]1Oc2ccc(cc2CN(C1=O)[C@H](C)CC)NC(=O)O[*:1]
CC[C@@H]1Oc2ccc(NC(=O)OCc3ccccc3)cc2CN([C@H](C)CC)C1=O c1ccc(cc1)[*:1] CC[C@@H]1Oc2ccc(cc2CN(C1=O)[C@H](C)CC)NC(=O)OC[*:1]
CC[C@@H]1Oc2ccc(NC(=O)OCc3ccccc3)cc2CN([C@H](C)CC)C1=O CC[C@@H](C)[*:1] CC[C@@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)OCc1ccccc1
O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2[nH]ccc2c1 c1cc2cc(ccc2[nH]1)[*:1] O=C(CCC(=O)N1CCN(CC1)c1cccc(Cl)c1)N[*:1]
O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2[nH]ccc2c1 Clc1cccc(c1)[*:1] O=C(CCC(=O)N1CCN(CC1)[*:1])Nc1ccc2[nH]ccc2c1
COc1ccc([C@H](C)NC(=O)CC(C)(C)C)cc1OC CC(C)(C)C[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)[*:1]
COc1ccc([C@H](C)NC(=O)CC(C)(C)C)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)C[*:1]
O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1ccc(Br)o1 C1CC1[*:1] O=C(NCCCn1nc(cc1[*:1])C(F)(F)F)c1ccc(Br)o1
O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(NCCCn1nc(cc1C1CC1)C(F)(F)F)[*:1]
O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1ccc(Br)o1 FC(F)(F)[*:1] O=C(NCCCn1nc(cc1C1CC1)[*:1])c1ccc(Br)o1
CCCN[C@@]1(C#N)CC[C@@H](n2cc[nH+]c2CCC)C1 CCC[*:1] CCCN[C@@]1(C#N)CC[C@H](C1)n1cc[nH+]c1[*:1]
CCCN[C@@]1(C#N)CC[C@@H](n2cc[nH+]c2CCC)C1 CCCN[*:1] CCCc1[nH+]ccn1[C@@H]1CC[C@](C#N)(C1)[*:1]
CCCN[C@@]1(C#N)CC[C@@H](n2cc[nH+]c2CCC)C1 CCC[*:1] CCCc1[nH+]ccn1[C@@H]1CC[C@@](C#N)(C1)N[*:1]
CN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CCc2ccccc21 c1ccc2c(c1)CC[C@H]2[*:1] CN(C(=O)c1ccc(cc1)CN1CC[NH+](C)CC1)[*:1]
COCCNC(=O)CSc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2 COCCNC(=O)[*:1] C[C@H]1Cc2nc(SC[*:1])n(-c3ccc(F)cc3)c(=O)c2S1
COCCNC(=O)CSc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2 COC[*:1] C[C@H]1Cc2nc(SCC(=O)NC[*:1])n(-c3ccc(F)cc3)c(=O)c2S1
COCCNC(=O)CSc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2 COCCNC(=O)C[*:1] C[C@H]1Cc2nc(S[*:1])n(-c3ccc(F)cc3)c(=O)c2S1
COCCNC(=O)CSc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2 Fc1ccc(cc1)[*:1] COCCNC(=O)CSc1nc2C[C@H](C)Sc2c(=O)n1[*:1]
COCCNC(=O)CSc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2 COCCNC(=O)CS[*:1] C[C@H]1Cc2nc(n(-c3ccc(F)cc3)c(=O)c2S1)[*:1]
COCCNC(=O)CSc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2 COCC[*:1] C[C@H]1Cc2nc(SCC(=O)N[*:1])n(-c3ccc(F)cc3)c(=O)c2S1
COc1cccc([C@@H](NC(=O)[C@@H](C)c2ccsc2)c2nccn2C)c1 c1cc(cs1)[*:1] COc1cccc(c1)[C@@H](NC(=O)[C@@H](C)[*:1])c1nccn1C
COc1cccc([C@@H](NC(=O)[C@@H](C)c2ccsc2)c2nccn2C)c1 COc1cccc(c1)[*:1] C[C@H](C(=O)N[C@@H](c1nccn1C)[*:1])c1ccsc1
COc1cccc([C@@H](NC(=O)[C@@H](C)c2ccsc2)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@@H](NC(=O)[C@@H](C)c1ccsc1)[*:1]
CC(=O)NCCNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 CC(=O)NC[*:1] Cc1ccc(cc1Cl)-n1ncc(C(=O)NC[*:1])c1C1CC1
CC(=O)NCCNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 Cc1ccc(cc1Cl)[*:1] CC(=O)NCCNC(=O)c1cnn(c1C1CC1)[*:1]
CC(=O)NCCNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 CC(=O)NCC[*:1] Cc1ccc(cc1Cl)-n1ncc(C(=O)N[*:1])c1C1CC1
CC(=O)NCCNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 C1CC1[*:1] CC(=O)NCCNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1[*:1]
CC(=O)NCCNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 CC(=O)N[*:1] Cc1ccc(cc1Cl)-n1ncc(C(=O)NCC[*:1])c1C1CC1
Cc1ccc(C(=O)N(C)C)cc1OCC(=O)NCc1ccc(Cl)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1OCC(=O)NCc1ccc(Cl)cc1)[*:1]
Cc1ccc(C(=O)N(C)C)cc1OCC(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1OCC(=O)N[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1OCC(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1OCC(=O)NC[*:1])C(=O)N(C)C
Cc1ccoc1C(=O)NCc1nc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1ccoc1C(=O)NCc1nc(n[nH]1)[*:1]
Cc1ccoc1C(=O)NCc1nc(-c2ccccc2)n[nH]1 Cc1ccoc1[*:1] O=C(NCc1nc(n[nH]1)-c1ccccc1)[*:1]
COc1ccccc1[C@@H]1C[NH+]=C(N)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1C[NH+]=C(N)N1[*:1]
Cc1ccc2cc(C(=O)NCCCCC(N)=O)[nH]c2c1 NC(=O)C[*:1] Cc1ccc2cc([nH]c2c1)C(=O)NCCC[*:1]
Cc1ccc2cc(C(=O)NCCCCC(N)=O)[nH]c2c1 NC(=O)CC[*:1] Cc1ccc2cc([nH]c2c1)C(=O)NCC[*:1]
Cc1ccc2cc(C(=O)NCCCCC(N)=O)[nH]c2c1 NC(=O)[*:1] Cc1ccc2cc([nH]c2c1)C(=O)NCCCC[*:1]
Cc1ccc2cc(C(=O)NCCCCC(N)=O)[nH]c2c1 NC(=O)CCC[*:1] Cc1ccc2cc([nH]c2c1)C(=O)NC[*:1]
Cc1cc(NC(=O)C(=O)Nc2cn[nH]c2)n(-c2ccccc2C)n1 Cc1ccccc1[*:1] Cc1cc(NC(=O)C(=O)Nc2cn[nH]c2)n(n1)[*:1]
Cc1cc(NC(=O)C(=O)Nc2cn[nH]c2)n(-c2ccccc2C)n1 c1n[nH]cc1[*:1] Cc1cc(NC(=O)C(=O)N[*:1])n(n1)-c1ccccc1C
CCC[NH+](CCC)[C@@H]1CCC(=O)C1 CCC[*:1] CCC[NH+]([C@@H]1CCC(=O)C1)[*:1]
Cc1nc(C2CCN(C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)CC2)no1 Cn1cc(cn1)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@H]1CCCN(C1)[*:1]
Cc1nc(C2CCN(C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)CC2)no1 Cc1nc(no1)[*:1] Cn1cc(cn1)N1CCC[C@@H](C1)NC(=O)N1CCC(CC1)[*:1]
COC(=O)[C@H](NCC(F)(F)F)c1cncn1C1CC1 COC(=O)[*:1] FC(F)(F)CN[C@H](c1cncn1C1CC1)[*:1]
COC(=O)[C@H](NCC(F)(F)F)c1cncn1C1CC1 FC(F)(F)CN[*:1] COC(=O)[C@H](c1cncn1C1CC1)[*:1]
COC(=O)[C@H](NCC(F)(F)F)c1cncn1C1CC1 FC(F)(F)C[*:1] COC(=O)[C@H](N[*:1])c1cncn1C1CC1
COC(=O)[C@H](NCC(F)(F)F)c1cncn1C1CC1 FC(F)(F)[*:1] COC(=O)[C@H](NC[*:1])c1cncn1C1CC1
COC(=O)[C@H](NCC(F)(F)F)c1cncn1C1CC1 C1CC1[*:1] COC(=O)[C@H](NCC(F)(F)F)c1cncn1[*:1]
COc1ccc(-c2nc(CNC(=O)N[C@@H]3C[C@](C)(OC)C3(C)C)n[nH]2)cc1 COc1ccc(cc1)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)NCc2n[nH]c(n2)[*:1])C1(C)C
O=C(NCc1ccccc1-n1ccnc1)C(=O)Nc1ccc2[nH]ccc2c1 c1cc2cc(ccc2[nH]1)[*:1] O=C(NCc1ccccc1-n1ccnc1)C(=O)N[*:1]
O=C(NCc1ccccc1-n1ccnc1)C(=O)Nc1ccc2[nH]ccc2c1 c1cn(cn1)[*:1] O=C(NCc1ccccc1[*:1])C(=O)Nc1ccc2[nH]ccc2c1
Cc1ccc(O[C@H](C)CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 Cc1ccc(cc1)O[*:1] C[C@H](CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)[*:1]
Cc1ccc(O[C@H](C)CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)O[*:1]
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=O)C(C)(C)C CC(C)(C)[*:1] Cc1nc(sc1C(=O)NNC(=O)[*:1])-c1ccc(F)cc1
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=O)C(C)(C)C Fc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NNC(=O)C(C)(C)C)[*:1]
O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1 FC(F)(F)[*:1] O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(o1)-c1ccc(cc1)[*:1]
O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1 Clc1ccc(O[*:1])c(Cl)c1 O=C(C[*:1])Nc1nnc(o1)-c1ccc(cc1)C(F)(F)F
O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])Nc1nnc(o1)-c1ccc(cc1)C(F)(F)F
Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] Cc1oncc1C(=O)Nc1ccc(cc1)[N-]S(=O)(=O)c1ccc(F)c(c1)[*:1]
Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 Cc1oncc1C(=O)N[*:1] O=S(=O)([N-]c1ccc(cc1)[*:1])c1ccc(F)c(c1)C(F)(F)F
Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 Cc1oncc1[*:1] O=C(Nc1ccc(cc1)[N-]S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)[*:1]
CCCC[C@H](CC)CNC(=O)Nc1ccc(C#N)cc1 CCC[*:1] CC[C@H](CNC(=O)Nc1ccc(C#N)cc1)C[*:1]
CCCC[C@H](CC)CNC(=O)Nc1ccc(C#N)cc1 CCCC[*:1] CC[C@H](CNC(=O)Nc1ccc(C#N)cc1)[*:1]
CCOc1ccccc1-c1cccc(C(=O)N(C)CCC(F)(F)F)c1 CCO[*:1] CN(CCC(F)(F)F)C(=O)c1cccc(c1)-c1ccccc1[*:1]
CCOc1ccccc1-c1cccc(C(=O)N(C)CCC(F)(F)F)c1 FC(F)(F)[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)N(C)CC[*:1]
CCOc1ccccc1-c1cccc(C(=O)N(C)CCC(F)(F)F)c1 FC(F)(F)C[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)N(C)C[*:1]
CCOc1ccccc1-c1cccc(C(=O)N(C)CCC(F)(F)F)c1 FC(F)(F)CC[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)N(C)[*:1]
CCCN(C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1])-c1ccccc1
CCCN(C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCN(C(=O)c1cccc2c(=O)c(C)c(oc12)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1nn(C)c(=O)c(C(=O)NCC(C)(C)c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1nn(C)c(=O)c(C(=O)NCC(C)(C)[*:1])c1C
NC(=O)c1cccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
C/C(=C\c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C c1ccc(cc1)[*:1] CC(=C[*:1])C(=O)Nc1ccc(cc1C)[N+](=O)[O-]
C/C(=C\c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] C/C(=C\c1ccccc1)C(=O)Nc1ccc(cc1C)[*:1]
COc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C2CCCC2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1c2c(n[nH]c2C(=O)N1C1CCCC1)[*:1]
COc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C2CCCC2)cc1OC COc1ccc(cc1OC)[*:1] O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H](N1C1CCCC1)[*:1]
COc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C2CCCC2)cc1OC C1CCC(C1)[*:1] COc1ccc(cc1OC)[C@@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccc(Cl)cc1
O[C@@H]1c2ccccc2C[C@H]1CCC(F)(F)F FC(F)(F)[*:1] O[C@@H]1c2ccccc2C[C@H]1CC[*:1]
O[C@@H]1c2ccccc2C[C@H]1CCC(F)(F)F FC(F)(F)C[*:1] O[C@@H]1c2ccccc2C[C@H]1C[*:1]
Cc1cc2cc(CCNC(=O)c3ccccc3[N+](=O)[O-])c(=O)[nH]c2cc1C O=[N+]([O-])[*:1] Cc1cc2cc(CCNC(=O)c3ccccc3[*:1])c(=O)[nH]c2cc1C
Cc1cc2cc(CCNC(=O)c3ccccc3[N+](=O)[O-])c(=O)[nH]c2cc1C O=[N+]([O-])c1ccccc1[*:1] Cc1cc2cc(CCNC(=O)[*:1])c(=O)[nH]c2cc1C
O=C(COC(=O)c1cccc(F)c1)NC1CC1 C1CC1[*:1] O=C(COC(=O)c1cccc(F)c1)N[*:1]
Clc1ccc(C2([NH2+]C3CCCC3)CCOCC2)cc1 C1CCC(C1)[*:1] Clc1ccc(cc1)C1(CCOCC1)[NH2+][*:1]
NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)[*:1]
NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)c1ccccc1 NC(=O)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1cnc2ccccc2n1
COc1ccc(-n2c(C)cn3c4c(=O)n(CC(C)=O)c(=O)n(C)c4nc23)cc1 CC(=O)C[*:1] COc1ccc(cc1)-n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
COc1ccc(-n2c(C)cn3c4c(=O)n(CC(C)=O)c(=O)n(C)c4nc23)cc1 COc1ccc(cc1)[*:1] CC(=O)Cn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
COc1ccc(-n2c(C)cn3c4c(=O)n(CC(C)=O)c(=O)n(C)c4nc23)cc1 CC(=O)[*:1] COc1ccc(cc1)-n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 c1ccc2c(c[nH]c2c1)C[*:1] CC(=O)N[C@H](C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(CC1)C(=O)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 CC(=O)N[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 Clc1cccc(c1Cl)[*:1] C[C@@H](O[*:1])C(=O)N1CCC(CC1)CN(C)C(=O)OC(C)(C)C
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 Clc1cccc(O[*:1])c1Cl C[C@@H](C(=O)N1CCC(CC1)CN(C)C(=O)OC(C)(C)C)[*:1]
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(CC1)CN(C)C(=O)O[*:1]
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 CN(C(=O)OC(C)(C)C)[*:1] C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(CC1)C[*:1]
COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)c1 O=[N+]([O-])[*:1] COc1cccc(c1)CNC(=O)c1ccc(cc1F)[*:1]
O=C(Cc1cc(F)ccc1F)N1CCO[C@@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Cc1cc(F)ccc1F)N1CCO[C@@H](C1)[*:1]
O=C(Cc1cc(F)ccc1F)N1CCO[C@@H](c2ccc(Cl)cc2)C1 Fc1ccc(F)c(c1)[*:1] O=C(C[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
Cc1ccc([C@@H]2CSCCN2C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)o1 Cc1ccc(o1)[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N1CCSC[C@H]1[*:1]
O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn12)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(CCc1nnc2ccc(nn12)NCc1ccccc1Cl)N[*:1]
O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn12)Nc1ccc2c(c1)OCCO2 Clc1ccccc1C[*:1] O=C(CCc1nnc2ccc(nn12)N[*:1])Nc1ccc2OCCOc2c1
O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn12)Nc1ccc2c(c1)OCCO2 Clc1ccccc1[*:1] O=C(CCc1nnc2ccc(nn12)NC[*:1])Nc1ccc2OCCOc2c1
O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn12)Nc1ccc2c(c1)OCCO2 Clc1ccccc1CN[*:1] O=C(CCc1nnc2ccc(nn12)[*:1])Nc1ccc2OCCOc2c1
Cc1ccc(NC(=O)NC(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@@H](C)C(=O)NC(=O)N[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cccc(F)c2)c1C Fc1cccc(c1)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)C(C#N)=C[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cccc(F)c2)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)/C(C#N)=C/c2cccc(F)c2)c(C)c1[*:1]
O=C(Nc1cccnc1)N1CCN(C[C@H](O)c2ccccc2)CC1 c1cncc(c1)[*:1] O=C(N[*:1])N1CCN(CC1)C[C@H](O)c1ccccc1
O=C(Nc1cccnc1)N1CCN(C[C@H](O)c2ccccc2)CC1 O[C@H](c1ccccc1)[*:1] O=C(Nc1cccnc1)N1CCN(CC1)C[*:1]
O=C(Nc1cccnc1)N1CCN(C[C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cccnc1)N1CCN(CC1)C[C@H](O)[*:1]
CCCCC(=O)N1CCN(c2nc3cccnc3s2)CC1 CCCC[*:1] O=C(N1CCN(CC1)c1nc2cccnc2s1)[*:1]
CCCCC(=O)N1CCN(c2nc3cccnc3s2)CC1 CCC[*:1] O=C(C[*:1])N1CCN(CC1)c1nc2cccnc2s1
Cc1ccccc1Cc1noc(CSc2ncnc3nc[nH]c23)n1 Cc1ccccc1C[*:1] c1nc(SCc2nc(no2)[*:1])c2[nH]cnc2n1
Cc1ccccc1Cc1noc(CSc2ncnc3nc[nH]c23)n1 Cc1ccccc1[*:1] c1nc(SCc2nc(C[*:1])no2)c2[nH]cnc2n1
CCOC(=O)/C(C#N)=C(\Cl)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)/C(C#N)=C(\Cl)[*:1]
COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)c(OC)c1 Fc1ccc(nc1)[*:1] COc1ccc(c(c1)OC)[C@@H](C)[NH2+][C@@H](C)[*:1]
Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1 c1cncc(c1)[*:1] Fc1ccc(cc1)[C@H]1Oc2ccc(Cl)cc2C2N=C3N=CNN3[C@@H](C=21)[*:1]
Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1 Fc1ccc(cc1)[*:1] Clc1ccc2O[C@@H](C3=C(N=C4N=CNN4[C@H]3c3cccnc3)c2c1)[*:1]
CC(C)N(C)C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)[*:1] CN(C(=O)NCc1ccnc(c1)OC(C)(C)C)[*:1]
CC(C)N(C)C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CC(C)N(C)C(=O)NCc1ccnc(c1)O[*:1]
CC(C)N(C)C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CC(C)N(C)C(=O)NCc1ccnc(c1)[*:1]
Cc1ccccc1CCNC(=O)[C@@H](C)NC(=O)C1CCCC1 Cc1ccccc1[*:1] C[C@@H](NC(=O)C1CCCC1)C(=O)NCC[*:1]
Cc1ccccc1CCNC(=O)[C@@H](C)NC(=O)C1CCCC1 C1CCC(C1)[*:1] Cc1ccccc1CCNC(=O)[C@@H](C)NC(=O)[*:1]
CC(C)N(CC(N)=O)C(=O)c1occc1COc1ccccc1 NC(=O)[*:1] CC(C)N(C[*:1])C(=O)c1occc1COc1ccccc1
CC(C)N(CC(N)=O)C(=O)c1occc1COc1ccccc1 CC(C)[*:1] NC(=O)CN(C(=O)c1occc1COc1ccccc1)[*:1]
CC(C)N(CC(N)=O)C(=O)c1occc1COc1ccccc1 c1ccc(cc1)O[*:1] CC(C)N(CC(N)=O)C(=O)c1occc1C[*:1]
CC(C)N(CC(N)=O)C(=O)c1occc1COc1ccccc1 NC(=O)C[*:1] CC(C)N(C(=O)c1occc1COc1ccccc1)[*:1]
CC(C)N(CC(N)=O)C(=O)c1occc1COc1ccccc1 c1ccc(cc1)[*:1] CC(C)N(CC(N)=O)C(=O)c1occc1CO[*:1]
COc1ccc(N2CCn3c(SCC(=O)Nc4nc(C)cs4)nnc32)cc1 Cc1csc(n1)[*:1] COc1ccc(cc1)N1CCn2c(nnc21)SCC(=O)N[*:1]
COc1ccc(N2CCn3c(SCC(=O)Nc4nc(C)cs4)nnc32)cc1 COc1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)CSc1nnc2N(CCn12)[*:1]
COc1ccc(N2CCn3c(SCC(=O)Nc4nc(C)cs4)nnc32)cc1 Cc1csc(n1)NC(=O)[*:1] COc1ccc(cc1)N1CCn2c(nnc21)SC[*:1]
C[C@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)CCc1cc([O-])no1 N#Cc1ccccc1[*:1] C[C@H]1CN(C(=O)CN1C(=O)CCc1cc([O-])no1)[*:1]
CC(C)c1ccc(CN(C)Cc2cc(=O)n(C)c(=O)n2C)cc1 CC(C)[*:1] CN(Cc1ccc(cc1)[*:1])Cc1cc(=O)n(C)c(=O)n1C
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)CNC(=O)[*:1] COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)[*:1] COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)C[*:1] COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 COc1ccccc1[*:1] CC(C)CNC(=O)c1ccc(cc1)NC(=O)N1CCC[C@@H]1[*:1]
CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)NCC(C)C)=C(C)CS[C@@H]12 CCn1ncc(Br)c1[*:1] CC1CS[C@H]2[C@H](NC(=O)[*:1])C(=O)N2C=1C(=O)NCC(C)C
CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)NCC(C)C)=C(C)CS[C@@H]12 CC(C)C[*:1] CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)N[*:1])=C(C)CS[C@@H]12
CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)NCC(C)C)=C(C)CS[C@@H]12 CC(C)CNC(=O)[*:1] CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(=C(C)CS[C@@H]12)[*:1]
CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)NCC(C)C)=C(C)CS[C@@H]12 CC(C)[*:1] CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)NC[*:1])=C(C)CS[C@@H]12
O=C(NC1CCCCC1)[C@H]1SC(=S)n2c1nc(=O)c1cc3c(cc12)OCO3 O=C(NC1CCCCC1)[*:1] O=c1nc2[C@H](SC(=S)n2c2cc3OCOc3cc12)[*:1]
O=C(NC1CCCCC1)[C@H]1SC(=S)n2c1nc(=O)c1cc3c(cc12)OCO3 C1CCC(CC1)[*:1] O=C(N[*:1])[C@H]1SC(=S)n2c1nc(=O)c1cc3OCOc3cc12
Brc1cccc(-c2csc(Nc3cccnc3)n2)c1 c1cncc(c1)[*:1] Brc1cccc(c1)-c1csc(n1)N[*:1]
Cc1cccc(C)c1-n1nnnc1CS(=O)(=O)[C@@H](C)c1c(F)cccc1F Cc1cccc(C)c1[*:1] C[C@@H](c1c(F)cccc1F)S(=O)(=O)Cc1nnnn1[*:1]
Cc1cccc(C)c1-n1nnnc1CS(=O)(=O)[C@@H](C)c1c(F)cccc1F Fc1cccc(F)c1[*:1] Cc1cccc(C)c1-n1nnnc1CS(=O)(=O)[C@@H](C)[*:1]
C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C CC(C)(C)C[*:1] C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][*:1]
C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C CC(C)(C)[*:1] C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[*:1]
CCOC(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1C[*:1] CCOC(=O)c1ccc(cc1)N[C@H]1c2ccccc2C(=O)N1[*:1]
CCOC(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] CCOC(=O)c1ccc(cc1)N[C@H]1c2ccccc2C(=O)N1C[*:1]
CCOC(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 CCOC(=O)[*:1] O=C1c2ccccc2[C@H](Nc2ccc(cc2)[*:1])N1Cc1ccc2OCOc2c1
Cc1nn(C)c(C)c1[C@H](C)NCCc1nc2c(F)cccc2n1C Cc1nn(C)c(C)c1[*:1] C[C@H](NCCc1nc2c(F)cccc2n1C)[*:1]
O=C(Nc1ccccc1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O c1ccc(cc1)[*:1] O=C(N[*:1])N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O
Cc1cc2ccccc2n1CCC(=O)N(CCO)[C@]1(C)CCS(=O)(=O)C1 OCC[*:1] Cc1cc2ccccc2n1CCC(=O)N([C@]1(C)CCS(=O)(=O)C1)[*:1]
CCC[C@@H](CC(=O)OC)NC(=O)[C@@H]1OCC[C@H]1C COC(=O)C[*:1] CCC[C@@H](NC(=O)[C@@H]1OCC[C@H]1C)[*:1]
CCC[C@@H](CC(=O)OC)NC(=O)[C@@H]1OCC[C@H]1C CCC[*:1] COC(=O)C[C@@H](NC(=O)[C@@H]1OCC[C@H]1C)[*:1]
CCC[C@@H](CC(=O)OC)NC(=O)[C@@H]1OCC[C@H]1C COC(=O)[*:1] CCC[C@@H](C[*:1])NC(=O)[C@@H]1OCC[C@H]1C
COCCOc1cccc(C[NH+]2CCC2(C)C)c1 COCC[*:1] CC1(C)CC[NH+]1Cc1cccc(c1)O[*:1]
COCCOc1cccc(C[NH+]2CCC2(C)C)c1 COC[*:1] CC1(C)CC[NH+]1Cc1cccc(c1)OC[*:1]
COCCOc1cccc(C[NH+]2CCC2(C)C)c1 COCCO[*:1] CC1(C)CC[NH+]1Cc1cccc(c1)[*:1]
Cc1noc(C)c1[C@H]1CCCN1C(=O)CCc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1noc(C)c1[C@H]1CCCN1C(=O)CCc1nc(no1)[*:1]
Cc1noc(C)c1[C@H]1CCCN1C(=O)CCc1nc(-c2ccccc2)no1 Cc1noc(C)c1[*:1] O=C(CCc1nc(no1)-c1ccccc1)N1CCC[C@@H]1[*:1]
COc1ccc(CCNC(=O)c2cc(C)n(C3CC3)c2C)cc1OC C1CC1[*:1] COc1ccc(cc1OC)CCNC(=O)c1cc(C)n(c1C)[*:1]
Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)c(n1)[*:1]
C[C@@H](Nc1ccc(CO)cc1)C(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Nc1ccc(cc1)CO)C(=O)NCC[*:1]
Cc1cnc2nc(Cc3ccsc3)[nH]c2c1 c1cc(cs1)[*:1] Cc1cnc2nc(C[*:1])[nH]c2c1
c1ccc(-n2nnnc2NC[C@@H]2CCOC2)cc1 C1C[C@H](CO1)C[*:1] c1ccc(cc1)-n1nnnc1N[*:1]
c1ccc(-n2nnnc2NC[C@@H]2CCOC2)cc1 C1C[C@H](CO1)[*:1] c1ccc(cc1)-n1nnnc1NC[*:1]
c1ccc(-n2nnnc2NC[C@@H]2CCOC2)cc1 c1ccc(cc1)[*:1] C1C[C@@H](CNc2nnnn2[*:1])CO1
CCN(C(=O)CNC(=O)NCC1CCCC1)c1nc(C)cs1 C1CCC(C1)C[*:1] CCN(C(=O)CNC(=O)N[*:1])c1nc(C)cs1
CCN(C(=O)CNC(=O)NCC1CCCC1)c1nc(C)cs1 C1CCC(C1)[*:1] CCN(C(=O)CNC(=O)NC[*:1])c1nc(C)cs1
CCN(C(=O)CNC(=O)NCC1CCCC1)c1nc(C)cs1 Cc1csc(n1)[*:1] CCN(C(=O)CNC(=O)NCC1CCCC1)[*:1]
O=Cc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1 FC(F)(F)[*:1] O=Cc1ccc(cc1)-c1cc(cc(Cl)n1)[*:1]
C[C@H]1COCCN1S(=O)(=O)c1ccc(CC#N)cc1 N#CC[*:1] C[C@H]1COCCN1S(=O)(=O)c1ccc(cc1)[*:1]
C[C@H]1CN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1oc(nc1S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
C[C@H]1CN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 c1cc2OCCOc2cc1[*:1] C[C@H]1CN(C[C@@H](C)O1)c1oc(nc1S(=O)(=O)[*:1])-c1ccccc1
C[C@@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccc(F)c(F)c1 C[S@](=O)[*:1] C[C@@H]([NH2+]C[C@@H](C)[*:1])c1ccc(F)c(F)c1
C[C@@H]1Cc2ccccc2N1S(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] C[C@@H]1Cc2ccccc2N1S(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H](c1ccc2ccccc2c1)N(C(=O)NC[C@H]1CCCO1)C1CC1 C1CO[C@H](C1)[*:1] C[C@@H](c1ccc2ccccc2c1)N(C(=O)NC[*:1])C1CC1
C[C@@H](c1ccc2ccccc2c1)N(C(=O)NC[C@H]1CCCO1)C1CC1 C1CC1[*:1] C[C@@H](c1ccc2ccccc2c1)N(C(=O)NC[C@H]1CCCO1)[*:1]
C[C@@H](c1ccc2ccccc2c1)N(C(=O)NC[C@H]1CCCO1)C1CC1 C1CO[C@H](C1)C[*:1] C[C@@H](c1ccc2ccccc2c1)N(C(=O)N[*:1])C1CC1
C[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](NCc1nnc(s1)-c1ccccc1)c1ccc(o1)[*:1]
C[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](NCc1nnc(s1)[*:1])c1ccc(o1)-c1ccccc1
CCOCCn1c(C(C)(C)C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 CCOC[*:1] Cn1c(=O)c2c(nc3n(C[*:1])c(cn23)C(C)(C)C)n(C)c1=O
CCOCCn1c(C(C)(C)C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 CCO[*:1] Cn1c(=O)c2c(nc3n(CC[*:1])c(cn23)C(C)(C)C)n(C)c1=O
CCOCCn1c(C(C)(C)C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 CC(C)(C)[*:1] CCOCCn1c(cn2c3c(=O)n(C)c(=O)n(C)c3nc12)[*:1]
CCOCCn1c(C(C)(C)C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 CCOCC[*:1] Cn1c(=O)c2c(nc3n(c(cn23)C(C)(C)C)[*:1])n(C)c1=O
O=C(Nc1cccnc1)C1=CC=CN2CCS(=O)(=O)N=C12 c1cncc(c1)[*:1] O=C(N[*:1])C1=CC=CN2CCS(=O)(=O)N=C12
CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)C1 CC(C)CC[*:1] CC(=O)N1CC[C@H](C1)C(=O)N[C@@H]1CCCC[C@H]1O[*:1]
CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)C1 CC(C)C[*:1] CC(=O)N1CC[C@H](C1)C(=O)N[C@@H]1CCCC[C@H]1OC[*:1]
CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)C1 CC(C)[*:1] CC(=O)N1CC[C@H](C1)C(=O)N[C@@H]1CCCC[C@H]1OCC[*:1]
CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)C1 CC(C)CCO[*:1] CC(=O)N1CC[C@H](C1)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
Cc1cnc([C@@H](NC(=O)N(C)Cc2nccn2C(F)F)C2CC2)s1 Cc1cnc(s1)[*:1] CN(Cc1nccn1C(F)F)C(=O)N[C@@H](C1CC1)[*:1]
Cc1cnc([C@@H](NC(=O)N(C)Cc2nccn2C(F)F)C2CC2)s1 FC(F)n1ccnc1[*:1] Cc1cnc(s1)[C@@H](NC(=O)N(C)C[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)N(C)Cc2nccn2C(F)F)C2CC2)s1 FC(F)[*:1] Cc1cnc(s1)[C@@H](NC(=O)N(C)Cc1nccn1[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)N(C)Cc2nccn2C(F)F)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)N(C)Cc1nccn1C(F)F)[*:1]
COC[C@H](C)Cc1nnc(C[NH3+])o1 COC[*:1] C[C@H](Cc1nnc(C[NH3+])o1)[*:1]
Cc1ccc(NC(=O)C[NH+]2CCSC(C)(C)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)C[NH+]2CCSC(C)(C)C2)c(c1)[*:1]
CC(C)(C)[C@@H](CS)C[NH+]1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC(C)(C)[C@@H](CS)C[NH+]1CCN(CC1)[*:1]
CC(C)(C)[C@@H](CS)C[NH+]1CCN(c2ccccc2Cl)CC1 CC(C)(C)[*:1] SC[C@@H](C[NH+]1CCN(CC1)c1ccccc1Cl)[*:1]
CC1=[N+](c2ccc(C)cc2)C(SCC(=O)Nc2cccc(C(F)(F)F)c2)=NC(C)(C)C1 FC(F)(F)c1cccc(c1)[*:1] CC1CC(C)(C)N=C(SCC(=O)N[*:1])[N+]=1c1ccc(C)cc1
CC1=[N+](c2ccc(C)cc2)C(SCC(=O)Nc2cccc(C(F)(F)F)c2)=NC(C)(C)C1 FC(F)(F)[*:1] CC1CC(C)(C)N=C(SCC(=O)Nc2cccc(c2)[*:1])[N+]=1c1ccc(C)cc1
CC1=[N+](c2ccc(C)cc2)C(SCC(=O)Nc2cccc(C(F)(F)F)c2)=NC(C)(C)C1 Cc1ccc(cc1)[*:1] CC1CC(C)(C)N=C(SCC(=O)Nc2cccc(c2)C(F)(F)F)[N+]=1[*:1]
CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCNS(C)(=O)=O CS(=O)(=O)N[*:1] CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC[*:1]
O=C(NCCc1cc(Cl)c2c(c1)OCCO2)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(NCCc1cc(Cl)c2OCCOc2c1)C1CCN(CC1)C(=O)[*:1]
O=C(NCCN1CCOCC1)C1=Cc2ccccc2OC1 C1CN(CCO1)[*:1] O=C(NCC[*:1])C1=Cc2ccccc2OC1
O=C(NCCN1CCOCC1)C1=Cc2ccccc2OC1 C1CN(CCO1)C[*:1] O=C(NC[*:1])C1=Cc2ccccc2OC1
Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2F)C1 Cc1ccccc1[*:1] O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2F)C1 Cc1ccccc1C[*:1] O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2F)C1 Fc1cc(Br)ccc1[*:1] Cc1ccccc1CS(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccc(N2C(=O)C3=C4C[C@H](C(C)C)OC[C@@H]4SC3=NC2=S)cc1 CC(C)[*:1] Cc1ccc(cc1)N1C(=O)C2C(=NC1=S)S[C@H]1CO[C@@H](CC=21)[*:1]
Cc1ccc(N2C(=O)C3=C4C[C@H](C(C)C)OC[C@@H]4SC3=NC2=S)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H]1CC2=C3C(=O)N(C(=S)N=C3S[C@H]2CO1)[*:1]
Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4Cl)n3n2)c1 Cc1cccc(c1)[*:1] O=C(NCCc1csc2nc(nn12)[*:1])C(=O)Nc1ccccc1Cl
Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4Cl)n3n2)c1 Clc1ccccc1[*:1] Cc1cccc(c1)-c1nc2scc(CCNC(=O)C(=O)N[*:1])n2n1
Cc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2CCC3)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)-[n+]1cc(n2CCCc21)[*:1]
Cc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2CCC3)cc1 Cc1ccc(cc1)[*:1] Brc1ccc(cc1)-c1c[n+](c2CCCn12)[*:1]
Cc1nc(-c2ccccc2)c2c(n1)[C@@]1(C)CC[C@@H]2C1(C)C c1ccc(cc1)[*:1] Cc1nc2c(c(n1)[*:1])[C@@H]1CC[C@@]2(C)C1(C)C
Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](C)c2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N[C@@H](C)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](C)c2c(C)noc2C)cc1 Cc1noc(C)c1C[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(cc1)O[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](C)c2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(cc1)OC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](C)c2c(C)noc2C)cc1 Cc1noc(C)c1CO[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(cc1)[*:1]
O=C(Nc1cccc(SC(F)F)c1)C1(O)Cc2ccccc2C1 FC(F)S[*:1] O=C(Nc1cccc(c1)[*:1])C1(O)Cc2ccccc2C1
O=C(Nc1cccc(SC(F)F)c1)C1(O)Cc2ccccc2C1 FC(F)[*:1] O=C(Nc1cccc(c1)S[*:1])C1(O)Cc2ccccc2C1
CCc1cc(NC(=O)Cc2cccs2)nn1-c1ccccc1 c1csc(c1)C[*:1] CCc1cc(nn1-c1ccccc1)NC(=O)[*:1]
CCc1cc(NC(=O)Cc2cccs2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCc1cc(nn1[*:1])NC(=O)Cc1cccs1
CCc1cc(NC(=O)Cc2cccs2)nn1-c1ccccc1 c1csc(c1)[*:1] CCc1cc(nn1-c1ccccc1)NC(=O)C[*:1]
NC(=O)[C@]1([NH2+]C2CC2)CC[C@H](Oc2cc(F)cc(F)c2)C1 C1CC1[*:1] NC(=O)[C@@]1(CC[C@@H](C1)Oc1cc(F)cc(F)c1)[NH2+][*:1]
NC(=O)[C@]1([NH2+]C2CC2)CC[C@H](Oc2cc(F)cc(F)c2)C1 NC(=O)[*:1] Fc1cc(F)cc(c1)O[C@H]1CC[C@](C1)([NH2+]C1CC1)[*:1]
COc1ccc([C@@H](Cc2ccccc2C)NS(C)(=O)=O)cc1OC Cc1ccccc1C[*:1] COc1ccc(cc1OC)[C@@H](NS(C)(=O)=O)[*:1]
COc1ccc([C@@H](Cc2ccccc2C)NS(C)(=O)=O)cc1OC CS(=O)(=O)N[*:1] COc1ccc(cc1OC)[C@@H](Cc1ccccc1C)[*:1]
COc1ccc([C@@H](Cc2ccccc2C)NS(C)(=O)=O)cc1OC Cc1ccccc1[*:1] COc1ccc(cc1OC)[C@@H](C[*:1])NS(C)(=O)=O
COCc1nc(C(=O)N2CCC[C@@H](n3cccn3)C2)cs1 COC[*:1] O=C(c1csc(n1)[*:1])N1CCC[C@H](C1)n1cccn1
COCc1nc(C(=O)N2CCC[C@@H](n3cccn3)C2)cs1 c1cnn(c1)[*:1] COCc1nc(cs1)C(=O)N1CCC[C@@H](C1)[*:1]
FC(F)n1ccnc1CSCc1nc(-c2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] FC(F)n1ccnc1CSCc1nc(no1)[*:1]
FC(F)n1ccnc1CSCc1nc(-c2cccc(Cl)c2)no1 FC(F)[*:1] Clc1cccc(c1)-c1noc(CSCc2nccn2[*:1])n1
CC(C)C/C([O-])=N/S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 CC(C)[*:1] O=[N+]([O-])c1ccc(cc1)CS(=O)(=O)/N=C(\[O-])C[*:1]
CC(C)C/C([O-])=N/S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)C/C([O-])=N/S(=O)(=O)Cc1ccc(cc1)[*:1]
CC(C)C/C([O-])=N/S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 CC(C)C[*:1] O=[N+]([O-])c1ccc(cc1)CS(=O)(=O)/N=C(\[O-])[*:1]
Clc1ccnc(-c2cccc(C3CC3)c2)n1 C1CC1[*:1] Clc1ccnc(n1)-c1cccc(c1)[*:1]
CC[C@H](CC(=O)N1CCOC[C@H]1C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CC(=O)N1CCOC[C@H]1C(N)=O)[*:1]
CC[C@H](CC(=O)N1CCOC[C@H]1C(N)=O)c1ccccc1 NC(=O)[*:1] CC[C@H](CC(=O)N1CCOC[C@@H]1[*:1])c1ccccc1
C[C@@H](C(=O)NCc1ccccc1F)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 Fc1ccccc1[*:1] C[C@@H](C(=O)NC[*:1])C1CCN(CC1)C(=O)c1ccc2nc(oc2c1)-c1ccccc1
C[C@@H](C(=O)NCc1ccccc1F)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 Fc1ccccc1C[*:1] C[C@@H](C(=O)N[*:1])C1CCN(CC1)C(=O)c1ccc2nc(oc2c1)-c1ccccc1
C[C@@H](C(=O)NCc1ccccc1F)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 O=C(NCc1ccccc1F)[*:1] C[C@@H](C1CCN(CC1)C(=O)c1ccc2nc(oc2c1)-c1ccccc1)[*:1]
C[C@@H](C(=O)NCc1ccccc1F)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NCc1ccccc1F)C1CCN(CC1)C(=O)c1ccc2nc(oc2c1)[*:1]
CS(=O)(=O)c1ccc(OCCOc2cccc(-n3cncn3)c2)cc1 c1ncn(n1)[*:1] CS(=O)(=O)c1ccc(cc1)OCCOc1cccc(c1)[*:1]
CS(=O)(=O)c1ccc(OCCOc2cccc(-n3cncn3)c2)cc1 CS(=O)(=O)[*:1] c1cc(cc(c1)-n1cncn1)OCCOc1ccc(cc1)[*:1]
Cc1ccn2c(=O)c(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cnc2c1 FC(F)(F)[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)Nc1n[n-]c(n1)[*:1]
CC(C)Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-] CC(C)[*:1] O=C(NNc1ncnc(N[*:1])c1[N+](=O)[O-])c1ccco1
CC(C)Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-] CC(C)N[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1ccco1
CC(C)Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)Nc1ncnc(NNC(=O)c2ccco2)c1[*:1]
CC(C)Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-] c1coc(c1)[*:1] CC(C)Nc1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
C=C(Br)CN1CCN(c2cc(C)[nH+]c(C)n2)CC1 C=C(Br)[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C[*:1]
C=C(Br)CN1CCN(c2cc(C)[nH+]c(C)n2)CC1 C=C(Br)C[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)[*:1]
Cc1cc([C@](C)(O)CNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)c(C)o1 CC(C)(C)C[*:1] Cc1cc(c(C)o1)[C@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)[*:1]
Cc1cc([C@](C)(O)CNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)c(C)o1 CC(C)(C)[*:1] Cc1cc(c(C)o1)[C@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)C[*:1]
Cc1cc([C@](C)(O)CNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)c(C)o1 Cc1cc(c(C)o1)[*:1] CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC[C@](C)(O)[*:1]
O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1ccc(cc1)[*:1]
O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 c1ccc2[nH]c(nc2c1)[*:1] O=C(CSc1ncccc1[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
SCCCCn1cc[nH+]c1 SCC[*:1] c1cn(c[nH+]1)CC[*:1]
N/C(=N\OC(=O)COc1ccccc1Cl)c1ccc(Cl)cc1 Clc1ccccc1[*:1] N/C(=N\OC(=O)CO[*:1])c1ccc(Cl)cc1
N/C(=N\OC(=O)COc1ccccc1Cl)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N/C(=N\OC(=O)COc1ccccc1Cl)[*:1]
CC(C)(C)OC(=O)[C@@H]1N[C@H](C(=O)[O-])C(C)(C)S1 O=C([O-])[*:1] CC(C)(C)OC(=O)[C@@H]1N[C@H](C(C)(C)S1)[*:1]
CC(C)(C)OC(=O)[C@@H]1N[C@H](C(=O)[O-])C(C)(C)S1 CC(C)(C)[*:1] CC1(C)S[C@@H](N[C@@H]1C(=O)[O-])C(=O)O[*:1]
Cc1cc2cc(CNC(=O)[C@H]3CCC(=O)N(CCCN4CCCC4=O)C3)ccc2[nH]1 Cc1cc2cc(ccc2[nH]1)[*:1] O=C(NC[*:1])[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1
Cc1cc2cc(CNC(=O)[C@H]3CCC(=O)N(CCCN4CCCC4=O)C3)ccc2[nH]1 O=C1CCCN1C[*:1] Cc1cc2cc(ccc2[nH]1)CNC(=O)[C@H]1CCC(=O)N(CC[*:1])C1
Cc1cc2cc(CNC(=O)[C@H]3CCC(=O)N(CCCN4CCCC4=O)C3)ccc2[nH]1 O=C1CCCN1[*:1] Cc1cc2cc(ccc2[nH]1)CNC(=O)[C@H]1CCC(=O)N(CCC[*:1])C1
Cc1cc2cc(CNC(=O)[C@H]3CCC(=O)N(CCCN4CCCC4=O)C3)ccc2[nH]1 O=C1CCCN1CCC[*:1] Cc1cc2cc(ccc2[nH]1)CNC(=O)[C@H]1CCC(=O)N(C1)[*:1]
Cc1cc2cc(CNC(=O)[C@H]3CCC(=O)N(CCCN4CCCC4=O)C3)ccc2[nH]1 O=C1CCCN1CC[*:1] Cc1cc2cc(ccc2[nH]1)CNC(=O)[C@H]1CCC(=O)N(C1)C[*:1]
N#CCNC(=O)CSc1nc(-c2ccccc2)n[nH]1 N#CCNC(=O)[*:1] c1ccc(cc1)-c1n[nH]c(n1)SC[*:1]
N#CCNC(=O)CSc1nc(-c2ccccc2)n[nH]1 N#CC[*:1] O=C(CSc1nc(n[nH]1)-c1ccccc1)N[*:1]
N#CCNC(=O)CSc1nc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] N#CCNC(=O)CSc1nc(n[nH]1)[*:1]
C[NH2+][C@H](Cc1c(F)cccc1Cl)c1cscc1Br Brc1cscc1[*:1] C[NH2+][C@H](Cc1c(F)cccc1Cl)[*:1]
O=C(NCC(=O)N1CC=C(c2ccccc2)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CC=C(CC1)c1ccccc1)NC[*:1]
O=C(NCC(=O)N1CC=C(c2ccccc2)CC1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCC(=O)N1CC=C(CC1)c1ccccc1)N[*:1]
O=C(NCC(=O)N1CC=C(c2ccccc2)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CC=C(CC1)[*:1])NCc1ccccc1
Cc1ccc(-c2cccc(C[C@@]3(C(=O)NC(C)C)CCN(C(=O)C4CC4)C3)c2)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)[C@@]1(CCN(C1)C(=O)C1CC1)Cc1cccc(c1)[*:1]
Cc1ccc(-c2cccc(C[C@@]3(C(=O)NC(C)C)CCN(C(=O)C4CC4)C3)c2)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)-c1cccc(c1)C[C@]1(CCN(C1)C(=O)C1CC1)[*:1]
Cc1ccc(-c2cccc(C[C@@]3(C(=O)NC(C)C)CCN(C(=O)C4CC4)C3)c2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1cccc(c1)C[C@]1(CCN(C1)C(=O)C1CC1)C(=O)N[*:1]
Cc1ccc(-c2cccc(C[C@@]3(C(=O)NC(C)C)CCN(C(=O)C4CC4)C3)c2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1cccc(c1)C[C@]1(CCN(C1)C(=O)[*:1])C(=O)NC(C)C
C/[NH+]=C(/NCc1cc(C)on1)NCc1ccccc1-n1ccnc1 Cc1cc(C[*:1])no1 C/[NH+]=C(\NCc1ccccc1-n1ccnc1)N[*:1]
C/[NH+]=C(/NCc1cc(C)on1)NCc1ccccc1-n1ccnc1 c1cn(cn1)[*:1] C/[NH+]=C(/NCc1cc(C)on1)NCc1ccccc1[*:1]
C/[NH+]=C(/NCc1cc(C)on1)NCc1ccccc1-n1ccnc1 Cc1cc(no1)[*:1] C/[NH+]=C(\NCc1ccccc1-n1ccnc1)NC[*:1]
CCSc1ccc([C@H](C)NC(=O)NCc2ncoc2C)cc1 CCS[*:1] Cc1ocnc1CNC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCSc1ccc([C@H](C)NC(=O)NCc2ncoc2C)cc1 Cc1ocnc1C[*:1] CCSc1ccc(cc1)[C@H](C)NC(=O)N[*:1]
CCSc1ccc([C@H](C)NC(=O)NCc2ncoc2C)cc1 Cc1ocnc1[*:1] CCSc1ccc(cc1)[C@H](C)NC(=O)NC[*:1]
O=C(Nc1cccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c1)C1CC1 Fc1cccc(c1)[*:1] O=C(Nc1cccc(c1)NC(=O)N1CCC[C@@H]1[*:1])C1CC1
O=C(Nc1cccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c1)C1CC1 O=C(N[*:1])C1CC1 O=C(Nc1cccc(c1)[*:1])N1CCC[C@H]1c1cccc(F)c1
O=C(Nc1cccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c1)C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])N1CCC[C@H]1c1cccc(F)c1
CC(C)NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 CC(C)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 CC(C)NC(=O)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)[*:1]
O=C([O-])CCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] O=C([O-])CCN1C(=O)C(=O)/C(=C(\O)[*:1])[C@@H]1c1ccc2OCOc2c1
O=C([O-])CCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 O=C([O-])C[*:1] O=C1C(=O)N(C[*:1])[C@H](/C1=C(/O)c1ccc(Cl)cc1)c1ccc2OCOc2c1
O=C([O-])CCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 O=C([O-])CC[*:1] O=C1C(=O)N([C@H](/C1=C(/O)c1ccc(Cl)cc1)c1ccc2OCOc2c1)[*:1]
O=C([O-])CCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C([O-])CCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@H]1[*:1]
O=C([O-])CCN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 O=C([O-])[*:1] O=C1C(=O)N(CC[*:1])[C@H](/C1=C(/O)c1ccc(Cl)cc1)c1ccc2OCOc2c1
CCOC(=O)c1ccc(/[NH+]=c2\oc3c(OCC)cccc3cc2C(N)=O)cc1 NC(=O)[*:1] CCOC(=O)c1ccc(cc1)/[NH+]=c1\oc2c(cccc2cc1[*:1])OCC
CCOC(=O)c1ccc(/[NH+]=c2\oc3c(OCC)cccc3cc2C(N)=O)cc1 CCO[*:1] CCOC(=O)c1ccc(cc1)/[NH+]=c1\oc2c(cccc2cc1C(N)=O)[*:1]
CCOC(=O)c1ccc(/[NH+]=c2\oc3c(OCC)cccc3cc2C(N)=O)cc1 CCOC(=O)[*:1] CCOc1cccc2cc(C(N)=O)/c(=[NH+]/c3ccc(cc3)[*:1])oc12
C[C@H](Cn1cccn1)[NH2+]CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 c1cnn(c1)C[*:1] C[C@H]([NH2+]CC(=O)N1C[C@@H](Oc2ccccc21)C(N)=O)[*:1]
C[C@H](Cn1cccn1)[NH2+]CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 c1cnn(c1)[*:1] C[C@H](C[*:1])[NH2+]CC(=O)N1C[C@@H](Oc2ccccc21)C(N)=O
C[C@H](Cn1cccn1)[NH2+]CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 NC(=O)[*:1] C[C@H](Cn1cccn1)[NH2+]CC(=O)N1C[C@H](Oc2ccccc21)[*:1]
C=CCSc1nc(N)c(C#N)cc1C#N C=CCS[*:1] N#Cc1cc(C#N)c(nc1N)[*:1]
C=CCSc1nc(N)c(C#N)cc1C#N C=CC[*:1] N#Cc1cc(C#N)c(nc1N)S[*:1]
COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCC(=O)[O-] O=C([O-])CO[*:1] COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1[*:1]
COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCC(=O)[O-] O=C([O-])[*:1] COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OC[*:1]
COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCC(=O)[O-] O=C([O-])C[*:1] COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1O[*:1]
COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCC(=O)[O-] O=C([O-])[*:1] COc1cc(/C=C/c2cc(c3ccccc3n2)[*:1])ccc1OCC(=O)[O-]
O=C(CCC(=O)c1ccccc1)Nc1ccn(-c2ncccc2Cl)n1 c1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])Nc1ccn(n1)-c1ncccc1Cl
O=C(CCC(=O)c1ccccc1)Nc1ccn(-c2ncccc2Cl)n1 O=C(c1ccccc1)[*:1] O=C(CC[*:1])Nc1ccn(n1)-c1ncccc1Cl
O=C(CCC(=O)c1ccccc1)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] O=C(CCC(=O)c1ccccc1)Nc1ccn(n1)[*:1]
Cc1nc(CCNC(=O)c2ccc(OCC(F)F)nc2)cs1 Cc1nc(cs1)[*:1] O=C(NCC[*:1])c1ccc(nc1)OCC(F)F
Cc1nc(CCNC(=O)c2ccc(OCC(F)F)nc2)cs1 FC(F)[*:1] Cc1nc(cs1)CCNC(=O)c1ccc(nc1)OC[*:1]
Cc1nc(CCNC(=O)c2ccc(OCC(F)F)nc2)cs1 FC(F)CO[*:1] Cc1nc(cs1)CCNC(=O)c1ccc(nc1)[*:1]
Cc1nc(CCNC(=O)c2ccc(OCC(F)F)nc2)cs1 FC(F)C[*:1] Cc1nc(cs1)CCNC(=O)c1ccc(nc1)O[*:1]
Cc1nc(CCNC(=O)c2ccc(OCC(F)F)nc2)cs1 Cc1nc(cs1)C[*:1] O=C(NC[*:1])c1ccc(nc1)OCC(F)F
C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc[nH+]c1N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc[nH+]c1[*:1]
N#Cc1ccc(OCC(=O)Nc2ccccc2N2CCc3ccccc32)cc1 N#Cc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccccc1N1CCc2ccccc21
N#Cc1ccc(OCC(=O)Nc2ccccc2N2CCc3ccccc32)cc1 c1ccc2c(c1)CCN2[*:1] N#Cc1ccc(cc1)OCC(=O)Nc1ccccc1[*:1]
N#Cc1ccc(OCC(=O)Nc2ccccc2N2CCc3ccccc32)cc1 N#Cc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccccc1N1CCc2ccccc21
C[C@H](CCc1ccccc1F)[NH2+]CCc1nc2cc(F)ccc2n1C Fc1ccccc1[*:1] C[C@H](CC[*:1])[NH2+]CCc1nc2cc(F)ccc2n1C
C[C@H](CCc1ccccc1F)[NH2+]CCc1nc2cc(F)ccc2n1C Fc1ccccc1C[*:1] C[C@H](C[*:1])[NH2+]CCc1nc2cc(F)ccc2n1C
CCCn1nnnc1C[NH+](C)C1CCN(c2ccc(F)cc2)CC1 CCCn1nnnc1[*:1] C[NH+](C[*:1])C1CCN(CC1)c1ccc(F)cc1
CCCn1nnnc1C[NH+](C)C1CCN(c2ccc(F)cc2)CC1 CCC[*:1] C[NH+](Cc1nnnn1[*:1])C1CCN(CC1)c1ccc(F)cc1
CCCn1nnnc1C[NH+](C)C1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCCn1nnnc1C[NH+](C)C1CCN(CC1)[*:1]
COc1ncnc(N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ncnc(c1[*:1])N1CC[NH2+][C@H](C)C1
CC1(C)C(=O)N(CC2(CC(N)=S)CC2)S1(=O)=O NC(=S)[*:1] CC1(C)C(=O)N(CC2(CC2)C[*:1])S1(=O)=O
CC1(C)C(=O)N(CC2(CC(N)=S)CC2)S1(=O)=O NC(=S)C[*:1] CC1(C)C(=O)N(CC2(CC2)[*:1])S1(=O)=O
CC(C)N(C(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3)C(C)C CC(C)[*:1] CC(C)N(C(=O)CSc1ncnc2sc3C[C@@H](C)CCc3c12)[*:1]
CCOC(=O)CN(CC1CC1)C(=O)[C@@H]1SCCc2sccc21 CCOC(=O)C[*:1] O=C([C@@H]1SCCc2sccc21)N(CC1CC1)[*:1]
CCOC(=O)CN(CC1CC1)C(=O)[C@@H]1SCCc2sccc21 C1CC1C[*:1] CCOC(=O)CN(C(=O)[C@@H]1SCCc2sccc21)[*:1]
CCOC(=O)CN(CC1CC1)C(=O)[C@@H]1SCCc2sccc21 C1CC1[*:1] CCOC(=O)CN(C[*:1])C(=O)[C@@H]1SCCc2sccc21
CCOC(=O)CN(CC1CC1)C(=O)[C@@H]1SCCc2sccc21 CCOC(=O)[*:1] O=C([C@@H]1SCCc2sccc21)N(CC1CC1)C[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C(\[O-])[C@H](C)OCC(C)C CC(C)CO[*:1] Cc1ccc(cc1S(=O)(=O)/N=C(\[O-])[C@H](C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C(\[O-])[C@H](C)OCC(C)C O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)/N=C(\[O-])[C@H](C)OCC(C)C)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C(\[O-])[C@H](C)OCC(C)C CC(C)[*:1] Cc1ccc(cc1S(=O)(=O)/N=C(\[O-])[C@H](C)OC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C(\[O-])[C@H](C)OCC(C)C CC(C)C[*:1] Cc1ccc(cc1S(=O)(=O)/N=C(\[O-])[C@H](C)O[*:1])[N+](=O)[O-]
CCNc1nc2c(s1)[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 CCN[*:1] O=C1C[C@H](c2ccc(Cl)c(Cl)c2)c2sc(nc2N1)[*:1]
CCOC(=O)c1nc2ccccc2nc1Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CCOC(=O)c1nc2ccccc2nc1N[*:1]
CCOC(=O)c1nc2ccccc2nc1Nc1ccc(F)cc1F CCOC(=O)[*:1] Fc1ccc(Nc2nc3ccccc3nc2[*:1])c(F)c1
Cc1noc(C)c1CSc1ccccc1C(=O)Nn1cnc2ccccc21 Cc1noc(C)c1CS[*:1] O=C(Nn1cnc2ccccc21)c1ccccc1[*:1]
Cc1noc(C)c1CSc1ccccc1C(=O)Nn1cnc2ccccc21 Cc1noc(C)c1[*:1] O=C(Nn1cnc2ccccc21)c1ccccc1SC[*:1]
Cc1noc(C)c1CSc1ccccc1C(=O)Nn1cnc2ccccc21 Cc1noc(C)c1C[*:1] O=C(Nn1cnc2ccccc21)c1ccccc1S[*:1]
CC(C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 CC(C)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc(Br)c1)[*:1]
CC(C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 Brc1cccc(c1)[*:1] CC(C)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](Sc2nccc(=O)[nH]2)C1 O=C([O-])[*:1] C[NH2+][C@]1(CC[C@@H](C1)Sc1nccc(=O)[nH]1)[*:1]
C[NH+](C)C1([C@@H](N)c2cnccn2)CCCCCC1 c1cnc(cn1)[*:1] C[NH+](C)C1(CCCCCC1)[C@@H](N)[*:1]
C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnn(-c4ccccc4)c3)cc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)C[NH2+]Cc1cnn(c1)[*:1]
N#C[C@H]1CCC[C@@H]1NC(=O)c1c(F)ccc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] N#C[C@H]1CCC[C@@H]1NC(=O)c1c(F)ccc(c1F)[*:1]
CC(C)COc1ccc([C@H](C)[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc1 CC(C)CO[*:1] C[C@H]1CC(C[C@H](C)O1)[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CC(C)COc1ccc([C@H](C)[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc1 CC(C)C[*:1] C[C@H]1CC(C[C@H](C)O1)[NH2+][C@@H](C)c1ccc(cc1)O[*:1]
CC(C)COc1ccc([C@H](C)[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc1 CC(C)[*:1] C[C@H]1CC(C[C@H](C)O1)[NH2+][C@@H](C)c1ccc(cc1)OC[*:1]
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cc(C)cc3cccnc23)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)Nc1cc(C)cc2cccnc12
Cc1cccnc1C[C@@H](Cl)c1ccoc1 c1cc(co1)[*:1] Cc1cccnc1C[C@@H](Cl)[*:1]
C[C@@H](c1cscc1Br)[C@@H](C)Cl C[C@@H](Cl)[*:1] C[C@@H](c1cscc1Br)[*:1]
CCOC(=O)c1cccc(NC[C@H](O)c2ccc(Cl)cc2)n1 CCOC(=O)[*:1] O[C@@H](CNc1cccc(n1)[*:1])c1ccc(Cl)cc1
CCOC(=O)c1cccc(NC[C@H](O)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCOC(=O)c1cccc(n1)NC[C@H](O)[*:1]
Cc1noc(C)c1COc1ccc(CN2CCOC(C)(C)C2)cc1 CC1(C)CN(CCO1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C[*:1]
Cc1noc(C)c1COc1ccc(CN2CCOC(C)(C)C2)cc1 Cc1noc(C)c1C[*:1] CC1(C)CN(CCO1)Cc1ccc(cc1)O[*:1]
Cc1noc(C)c1COc1ccc(CN2CCOC(C)(C)C2)cc1 Cc1noc(C)c1[*:1] CC1(C)CN(CCO1)Cc1ccc(cc1)OC[*:1]
CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2OCCC(C)C)c2ccccc21 CC(=O)N[*:1] CC(C)CCOc1ccccc1CN1C(=O)[C@H](c2ccccc21)[*:1]
CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2OCCC(C)C)c2ccccc21 CC(C)C[*:1] CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2OC[*:1])c2ccccc21
CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2OCCC(C)C)c2ccccc21 CC(C)CC[*:1] CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2O[*:1])c2ccccc21
CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2OCCC(C)C)c2ccccc21 CC(C)CCO[*:1] CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2[*:1])c2ccccc21
CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2OCCC(C)C)c2ccccc21 CC(C)[*:1] CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2OCC[*:1])c2ccccc21
CCn1cnc2c1c(=O)n(CC(=O)c1cc(C)n(-c3nccs3)c1C)c(=O)n2Cc1ccccc1 c1ccc(cc1)C[*:1] CCn1cnc2c1c(=O)n(CC(=O)c1cc(C)n(-c3nccs3)c1C)c(=O)n2[*:1]
CCn1cnc2c1c(=O)n(CC(=O)c1cc(C)n(-c3nccs3)c1C)c(=O)n2Cc1ccccc1 c1ccc(cc1)[*:1] CCn1cnc2c1c(=O)n(CC(=O)c1cc(C)n(-c3nccs3)c1C)c(=O)n2C[*:1]
CCn1cnc2c1c(=O)n(CC(=O)c1cc(C)n(-c3nccs3)c1C)c(=O)n2Cc1ccccc1 c1csc(n1)[*:1] CCn1cnc2c1c(=O)n(CC(=O)c1cc(C)n(c1C)[*:1])c(=O)n2Cc1ccccc1
CC(=O)NCCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] CC(=O)NCCC[NH2+][C@@H](c1ccccc1F)[*:1]
CC(=O)NCCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] CC(=O)NCCC[NH2+][C@@H](C1CCCC1)[*:1]
CC(=O)NCCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 CC(=O)N[*:1] Fc1ccccc1[C@H]([NH2+]CCC[*:1])C1CCCC1
CC(=O)NCCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 CC(=O)NCC[*:1] Fc1ccccc1[C@H]([NH2+]C[*:1])C1CCCC1
CC(=O)NCCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 CC(=O)NC[*:1] Fc1ccccc1[C@H]([NH2+]CC[*:1])C1CCCC1
CC(=O)NCCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 CC(=O)NCCC[*:1] Fc1ccccc1[C@H]([NH2+][*:1])C1CCCC1
CC[C@H](S[C@H](C)c1cccs1)C(N)=O NC(=O)[*:1] CC[C@H](S[C@H](C)c1cccs1)[*:1]
O=C(CCCOc1ccccc1)N1CC[C@](O)(C(F)(F)F)C1 c1ccc(cc1)O[*:1] O=C(CCC[*:1])N1CC[C@@](O)(C1)C(F)(F)F
O=C(CCCOc1ccccc1)N1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(CCCOc1ccccc1)N1CC[C@](O)(C1)[*:1]
O=C(CCCOc1ccccc1)N1CC[C@](O)(C(F)(F)F)C1 c1ccc(cc1)[*:1] O=C(CCCO[*:1])N1CC[C@@](O)(C1)C(F)(F)F
COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 COC[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@H](C=1C(=O)OC[*:1])c1cccnc1)c1ccccc1
COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 COCC[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@H](C=1C(=O)O[*:1])c1cccnc1)c1ccccc1
COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 COCCOC(=O)[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@H](C=1[*:1])c1cccnc1)c1ccccc1
COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 c1cncc(c1)[*:1] COCCOC(=O)C1=C(C)NC2C[C@@H](CC(=O)C=2[C@@H]1[*:1])c1ccccc1
COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 c1ccc(cc1)[*:1] COCCOC(=O)C1=C(C)NC2C[C@H](CC(=O)C=2[C@H]1c1cccnc1)[*:1]
Cc1ncsc1C(=O)N1CCC[C@H]1c1nc2c(c(C)[nH+]1)CCCN2CC1CCCCC1 Cc1ncsc1[*:1] Cc1[nH+]c(nc2c1CCCN2CC1CCCCC1)[C@@H]1CCCN1C(=O)[*:1]
Cc1ncsc1C(=O)N1CCC[C@H]1c1nc2c(c(C)[nH+]1)CCCN2CC1CCCCC1 C1CCC(CC1)[*:1] Cc1ncsc1C(=O)N1CCC[C@H]1c1nc2c(CCCN2C[*:1])c(C)[nH+]1
Cc1ncsc1C(=O)N1CCC[C@H]1c1nc2c(c(C)[nH+]1)CCCN2CC1CCCCC1 C1CCC(CC1)C[*:1] Cc1ncsc1C(=O)N1CCC[C@H]1c1nc2c(CCCN2[*:1])c(C)[nH+]1
CC(=O)N[C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 CC(=O)N[*:1] C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)C1 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](C)Sc1nnc(o1)[*:1]
COCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(=O)N(C)C)C1 COCC[*:1] CN(C)C(=O)[C@]1(CCN(C1)C(=O)[*:1])Cc1ccccc1-c1ccccc1F
COCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(=O)N(C)C)C1 CN(C)C(=O)[*:1] COCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C1)[*:1]
COCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(=O)N(C)C)C1 Fc1ccccc1[*:1] COCCC(=O)N1CC[C@@](Cc2ccccc2[*:1])(C1)C(=O)N(C)C
COCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(=O)N(C)C)C1 COC[*:1] CN(C)C(=O)[C@]1(CCN(C1)C(=O)C[*:1])Cc1ccccc1-c1ccccc1F
CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(CC(=O)NC(C)(C)C)c2C)C1 CC(C)(C)[*:1] CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1c(C)nn(CC(=O)N[*:1])c1C
CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(CC(=O)NC(C)(C)C)c2C)C1 CC(C)(C)NC(=O)[*:1] CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1c(C)nn(C[*:1])c1C
CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(CC(=O)NC(C)(C)C)c2C)C1 CC(C)(C)NC(=O)C[*:1] CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1c(C)nn(c1C)[*:1]
CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(CC(=O)NC(C)(C)C)c2C)C1 CNC(=O)[*:1] Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C1)[*:1]
O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccc(cc1)[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccccc1 CC(C)[*:1] C[C@H](Sc1ccccc1)C(=O)Nc1ccnn1[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccccc1 c1ccc(cc1)[*:1] CC(C)n1nccc1NC(=O)[C@H](C)S[*:1]
Cc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCCCC1)N[*:1]
Cc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(Cl)c1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(NC(=O)Cn2c(=O)oc3cc(ccc32)[*:1])c(Cl)c1
CC(C)[C@@H](NC[C@H](O)c1ccc(F)cc1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H](NC[C@H](O)c1ccc(F)cc1)[*:1]
CC(C)[C@@H](NC[C@H](O)c1ccc(F)cc1)c1cccnc1 CC(C)[*:1] O[C@@H](CN[C@@H](c1cccnc1)[*:1])c1ccc(F)cc1
CC(C)[C@@H](NC[C@H](O)c1ccc(F)cc1)c1cccnc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC[C@H](O)[*:1])c1cccnc1
Cc1sc(NC(=O)Cc2ccc(F)cc2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)C[*:1]
Cc1sc(NC(=O)Cc2ccc(F)cc2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)Cc1ccc(F)cc1
Cc1sc(NC(=O)Cc2ccc(F)cc2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)[*:1]
Cc1cc([C@@H](C)NC(=O)[C@@H](C)c2ccsc2)c(C)s1 c1cc(cs1)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)[C@@H](C)[*:1]
Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)CCc2cccs2)C1 c1cn(cn1)[*:1] Cn1c(C[*:1])nnc1[C@@H]1CCCN(C1)C(=O)CCc1cccs1
Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)CCc2cccs2)C1 c1cn(cn1)C[*:1] Cn1c(nnc1[*:1])[C@@H]1CCCN(C1)C(=O)CCc1cccs1
Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)CCc2cccs2)C1 c1csc(c1)CC[*:1] Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C1)C(=O)[*:1]
Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)CCc2cccs2)C1 c1csc(c1)C[*:1] Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C1)C(=O)C[*:1]
Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)CCc2cccs2)C1 c1csc(c1)[*:1] Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C1)C(=O)CC[*:1]
COc1cccc(CNC(=O)C2(N3C[C@H](C)O[C@H](C)C3)Cc3ccccc3C2)c1 COc1cccc(c1)C[*:1] C[C@H]1CN(C[C@@H](C)O1)C1(Cc2ccccc2C1)C(=O)N[*:1]
COc1cccc(CNC(=O)C2(N3C[C@H](C)O[C@H](C)C3)Cc3ccccc3C2)c1 COc1cccc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C1(Cc2ccccc2C1)C(=O)NC[*:1]
CC(=O)N1CCc2cc(-c3csc(NC(=O)C(C)C)n3)ccc21 CC(C)[*:1] CC(=O)N1CCc2cc(ccc21)-c1csc(n1)NC(=O)[*:1]
CC(=O)N1CCc2cc(-c3csc(NC(=O)C(C)C)n3)ccc21 CC(C)C(=O)N[*:1] CC(=O)N1CCc2cc(ccc21)-c1csc(n1)[*:1]
COC(=O)N1CCc2c(sc(NC(=O)c3ccccc3Br)c2C#N)C1 Brc1ccccc1[*:1] COC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
CCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc21 CCCNC(=O)C[*:1] c1ccc(cc1)-c1nn(c2ccccc12)[*:1]
CCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc21 CCC[*:1] O=C(Cn1nc(-c2ccccc2)c2ccccc21)N[*:1]
CCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CCCNC(=O)Cn1nc(c2ccccc21)[*:1]
CCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc21 CCCNC(=O)[*:1] c1ccc(cc1)-c1nn(C[*:1])c2ccccc12
Cc1cc(C)c2nc(N(CC[NH+](C)C)C(=O)c3cc(C)n(C(C)C)n3)sc2c1 CC(C)[*:1] Cc1cc(C)c2nc(sc2c1)N(CC[NH+](C)C)C(=O)c1cc(C)n(n1)[*:1]
Cc1cc(C)c2nc(N(CC[NH+](C)C)C(=O)c3cc(C)n(C(C)C)n3)sc2c1 Cc1cc(nn1C(C)C)[*:1] Cc1cc(C)c2nc(sc2c1)N(CC[NH+](C)C)C(=O)[*:1]
COCC[C@]1(C)O[C@]1(C(=O)OC)C(C)C COC[*:1] COC(=O)[C@@]1(O[C@@]1(C)C[*:1])C(C)C
COCC[C@]1(C)O[C@]1(C(=O)OC)C(C)C COCC[*:1] COC(=O)[C@@]1(O[C@]1(C)[*:1])C(C)C
COCC[C@]1(C)O[C@]1(C(=O)OC)C(C)C COC(=O)[*:1] COCC[C@]1(C)O[C@@]1(C(C)C)[*:1]
COCC[C@]1(C)O[C@]1(C(=O)OC)C(C)C CC(C)[*:1] COCC[C@]1(C)O[C@@]1(C(=O)OC)[*:1]
CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2Oc2ccccc2)C1=O c1ccc(cc1)[*:1] CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2O[*:1])C1=O
CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2Oc2ccccc2)C1=O CCC[*:1] O=C(CN1C(=O)N[C@H](C1=O)[*:1])Nc1ccccc1Oc1ccccc1
CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2Oc2ccccc2)C1=O c1ccc(cc1)O[*:1] CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2[*:1])C1=O
Cc1c(NC(=O)c2cc(F)ccc2O)cccc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1c(cccc1[*:1])NC(=O)c1cc(F)ccc1O
Cc1c(NC(=O)c2cc(F)ccc2O)cccc1C(=O)N1CCOCC1 Oc1ccc(F)cc1[*:1] Cc1c(cccc1C(=O)N1CCOCC1)NC(=O)[*:1]
CSC[C@H](C)N(C)C(=O)c1ccc(N(C)C)cc1F CSC[*:1] C[C@H](N(C)C(=O)c1ccc(cc1F)N(C)C)[*:1]
CSC[C@H](C)N(C)C(=O)c1ccc(N(C)C)cc1F CN(C)[*:1] CSC[C@H](C)N(C)C(=O)c1ccc(cc1F)[*:1]
CC(=O)NCc1ccc(C(=O)CSc2nnc3sc4ccccc4n23)cc1 CC(=O)NC[*:1] O=C(CSc1nnc2sc3ccccc3n12)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)CSc2nnc3sc4ccccc4n23)cc1 CC(=O)N[*:1] O=C(CSc1nnc2sc3ccccc3n12)c1ccc(cc1)C[*:1]
Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 CC(C)[*:1] Cc1cc(O)c(cc1[N-]S(=O)(=O)c1c[nH]c2ncccc12)[*:1]
CSc1nc2nnc3c(=O)n(-c4cccc(Cl)c4)ccc3n2n1 Clc1cccc(c1)[*:1] CSc1nc2nnc3c(=O)n(ccc3n2n1)[*:1]
Cc1cccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)c1C Cc1cccc(c1C)[*:1] CC(C)[C@@H](c1nnnn1Cc1ccccc1)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)c1C c1ccc(cc1)C[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@H](c1nnnn1[*:1])C(C)C
Cc1cccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)c1C CC(C)[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@H](c1nnnn1Cc1ccccc1)[*:1]
Cc1cccc(N2CCN([C@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@H](c1nnnn1C[*:1])C(C)C
O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccncc2)CC1 c1cc(ccn1)[*:1] O=S(=O)(C1CC1)N1CCC(CC1)[NH2+]C[*:1]
O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccncc2)CC1 C1CC1[*:1] O=S(=O)(N1CCC(CC1)[NH2+]Cc1ccncc1)[*:1]
COc1ccc([C@H]([NH2+]Cc2csc(-c3ccsc3)n2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H]([NH2+]Cc1csc(n1)-c1ccsc1)[*:1]
COc1ccc([C@H]([NH2+]Cc2csc(-c3ccsc3)n2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H]([NH2+]Cc1csc(n1)-c1ccsc1)[*:1]
COc1ccc([C@H]([NH2+]Cc2csc(-c3ccsc3)n2)C(C)C)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)[C@H]([NH2+]Cc1csc(n1)[*:1])C(C)C
C[C@@H](O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 C[C@@H](O)[*:1] C[C@@H](S(=O)(=O)c1ccc(F)cc1)[*:1]
CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[NH+](CC1)C[*:1]
CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCc2ccccc2)CC1 CC(C)[*:1] C[C@H](C(=O)NC(=O)N[*:1])N1CC[NH+](CCc2ccccc2)CC1
CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[NH+](CC1)CC[*:1]
CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[NH+](CC1)[*:1]
CSc1ccc2c(C)cc(N3CCO[C@@H](C(F)(F)F)C3)nc2c1 FC(F)(F)[*:1] CSc1ccc2c(C)cc(nc2c1)N1CCO[C@@H](C1)[*:1]
NC(=O)c1ccc(-c2nnn(CC(=O)NCC3CCCCC3)n2)cc1 C1CCC(CC1)[*:1] NC(=O)c1ccc(cc1)-c1nnn(CC(=O)NC[*:1])n1
NC(=O)c1ccc(-c2nnn(CC(=O)NCC3CCCCC3)n2)cc1 C1CCC(CC1)C[*:1] NC(=O)c1ccc(cc1)-c1nnn(CC(=O)N[*:1])n1
NC(=O)c1ccc(-c2nnn(CC(=O)NCC3CCCCC3)n2)cc1 NC(=O)[*:1] O=C(Cn1nnc(n1)-c1ccc(cc1)[*:1])NCC1CCCCC1
CN1C(=O)c2cc(NC(=O)Cn3cc(Br)cn3)ccc2Oc2ncccc21 Brc1cnn(c1)[*:1] CN1C(=O)c2cc(ccc2Oc2ncccc21)NC(=O)C[*:1]
CN1C(=O)c2cc(NC(=O)Cn3cc(Br)cn3)ccc2Oc2ncccc21 Brc1cnn(c1)C[*:1] CN1C(=O)c2cc(ccc2Oc2ncccc21)NC(=O)[*:1]
COc1ccc2ccccc2c1CN(C)[C@@H](C(N)=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccc2ccccc2c1CN(C)[C@@H](C(N)=O)[*:1]
COc1ccc2ccccc2c1CN(C)[C@@H](C(N)=O)c1cccc(F)c1 NC(=O)[*:1] COc1ccc2ccccc2c1CN(C)[C@@H](c1cccc(F)c1)[*:1]
CCN1CC(=O)Nc2cc(C(=O)N[C@H]3CCO[C@@H]3c3ccccc3)ccc21 c1ccc(cc1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[C@H]1CCO[C@H]1[*:1]
Cc1nnc(N(CCC(C)C)C(=O)c2ccc(Cl)cn2)c2ccccc12 CC(C)[*:1] Cc1nnc(c2ccccc12)N(CC[*:1])C(=O)c1ccc(Cl)cn1
Cc1nnc(N(CCC(C)C)C(=O)c2ccc(Cl)cn2)c2ccccc12 CC(C)C[*:1] Cc1nnc(c2ccccc12)N(C[*:1])C(=O)c1ccc(Cl)cn1
Cc1nnc(N(CCC(C)C)C(=O)c2ccc(Cl)cn2)c2ccccc12 CC(C)CC[*:1] Cc1nnc(c2ccccc12)N(C(=O)c1ccc(Cl)cn1)[*:1]
Cc1nnc(N(CCC(C)C)C(=O)c2ccc(Cl)cn2)c2ccccc12 Clc1ccc(nc1)[*:1] Cc1nnc(c2ccccc12)N(CCC(C)C)C(=O)[*:1]
Cc1ccoc1/C([O-])=N/S(=O)(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccoc1/C([O-])=N/S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccoc1/C([O-])=N/S(=O)(=O)c1ccc(C(F)(F)F)cc1 Cc1ccoc1[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1ccc(cc1)C(F)(F)F
Cc1sc2ncn(CC(=O)N[C@@H](c3ccccc3)C(C)C)c(=O)c2c1C CC(C)[*:1] Cc1sc2ncn(CC(=O)N[C@@H](c3ccccc3)[*:1])c(=O)c2c1C
Cc1sc2ncn(CC(=O)N[C@@H](c3ccccc3)C(C)C)c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2ncn(CC(=O)N[C@@H](C(C)C)[*:1])c(=O)c2c1C
CC[C@H](C(=O)NCCOC)N1C(=O)CCCc2ccccc21 COCC[*:1] CC[C@H](C(=O)N[*:1])N1C(=O)CCCc2ccccc21
CC[C@H](C(=O)NCCOC)N1C(=O)CCCc2ccccc21 COCCNC(=O)[*:1] CC[C@H](N1C(=O)CCCc2ccccc21)[*:1]
CC[C@H](C(=O)NCCOC)N1C(=O)CCCc2ccccc21 COC[*:1] CC[C@H](C(=O)NC[*:1])N1C(=O)CCCc2ccccc21
CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CC[*:1]
CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)[*:1]
CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)C[*:1]
CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CCS(C)(=O)=O Brc1csc(c1)[*:1] CC[C@@H]([NH3+])[C@H](N(C)CCS(C)(=O)=O)[*:1]
CC(C)(C)OC(=O)N1CC[C@H]([S@@](=O)c2cccc(Cl)c2Cl)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C1)[S@@](=O)c1cccc(Cl)c1Cl
CC(=O)Nc1ccc(NCc2cn3c(C)cc(C)nc3n2)c(Cl)c1 CC(=O)N[*:1] Cc1cc(C)n2cc(CNc3ccc(cc3Cl)[*:1])nc2n1
C/C(=C(\C#N)C(=O)NN)c1ccc(F)cc1 NNC(=O)[*:1] CC(=C(C#N)[*:1])c1ccc(F)cc1
O=[N+]([O-])c1cccc(CSc2nc3ccccc3[nH]2)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])CSc1nc2ccccc2[nH]1
CC(=O)c1ccc(Nc2ncnc(Nc3ccccc3C)c2[N+](=O)[O-])cc1 CC(=O)[*:1] Cc1ccccc1Nc1ncnc(Nc2ccc(cc2)[*:1])c1[N+](=O)[O-]
CC(=O)c1ccc(Nc2ncnc(Nc3ccccc3C)c2[N+](=O)[O-])cc1 CC(=O)c1ccc(cc1)[*:1] Cc1ccccc1Nc1ncnc(N[*:1])c1[N+](=O)[O-]
CC(=O)c1ccc(Nc2ncnc(Nc3ccccc3C)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)c1ccc(cc1)Nc1ncnc(Nc2ccccc2C)c1[*:1]
CC(=O)c1ccc(Nc2ncnc(Nc3ccccc3C)c2[N+](=O)[O-])cc1 Cc1ccccc1N[*:1] CC(=O)c1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
CC(=O)c1ccc(Nc2ncnc(Nc3ccccc3C)c2[N+](=O)[O-])cc1 Cc1ccccc1[*:1] CC(=O)c1ccc(cc1)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]C2Cc3ccccc3C2)cc1 c1ccc(cc1)[*:1] c1ccc2CC(Cc2c1)[NH2+][C@H](C[C@@H]1CCOC1)[*:1]
c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]C2Cc3ccccc3C2)cc1 C1C[C@H](CO1)[*:1] c1ccc(cc1)[C@@H](C[*:1])[NH2+]C1Cc2ccccc2C1
CCc1nc(CN2CC[NH+](Cc3cc(Cl)c(OC)c(OC)c3)CC2)no1 CCc1nc(C[*:1])no1 COc1cc(cc(Cl)c1OC)C[NH+]1CCN(CC1)[*:1]
CCc1nc(CN2CC[NH+](Cc3cc(Cl)c(OC)c(OC)c3)CC2)no1 CCc1nc(no1)[*:1] COc1cc(cc(Cl)c1OC)C[NH+]1CCN(CC1)C[*:1]
COc1ccc(CN(C)C(=O)CCC(=O)c2cccs2)cc1F c1csc(c1)[*:1] COc1ccc(cc1F)CN(C)C(=O)CCC(=O)[*:1]
COc1ccc(CN(C)C(=O)CCC(=O)c2cccs2)cc1F O=C(c1cccs1)[*:1] COc1ccc(cc1F)CN(C)C(=O)CC[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(=N1)c1ccccc1)Nc1cccc(c1)O[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] O=C(CCC(=O)N1CCC(=N1)c1ccccc1)Nc1cccc(c1)[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(=N1)[*:1])Nc1cccc(c1)Oc1ccccc1
Cc1nnc(Cc2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)o1 Cc1nnc(C[*:1])o1 O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)N1CCOCC1
Cc1nnc(Cc2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)o1 Cc1nnc(o1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc(cc1)N1CCOCC1
Cc1nnc(Cc2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)o1 C1CN(CCO1)[*:1] Cc1nnc(Cc2ccc(cc2)NC(=O)c2ccc(cc2)[*:1])o1
Cn1cc(C(=O)Nc2ccc(CC(N)=O)cc2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)Nc2ccc(cc2)CC(N)=O)c(n1)[*:1]
Cn1cc(C(=O)Nc2ccc(CC(N)=O)cc2)c(-c2ccccc2)n1 NC(=O)C[*:1] Cn1cc(C(=O)Nc2ccc(cc2)[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)Nc2ccc(CC(N)=O)cc2)c(-c2ccccc2)n1 NC(=O)[*:1] Cn1cc(C(=O)Nc2ccc(cc2)C[*:1])c(n1)-c1ccccc1
CCC[C@@H](NC(=O)C1C[C@@H](C)O[C@H](C)C1)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
CCC[C@@H](NC(=O)C1C[C@@H](C)O[C@H](C)C1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
CNC(=O)[C@H]1CCCCN1C(=O)c1sc2nc(C)nc(C)c2c1C CNC(=O)[*:1] Cc1nc(C)c2c(C)c(sc2n1)C(=O)N1CCCC[C@@H]1[*:1]
COc1cccc(CC(=O)N2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)CC(=O)N1CCC[C@H](C1)c1ccc(cn1)[*:1]
COc1cccc(CC(=O)N2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)c1 COc1cccc(c1)C[*:1] O=C(N1CCC[C@H](C1)c1ccc(cn1)Cc1ccccc1)[*:1]
COc1cccc(CC(=O)N2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)N1CCC[C@H](C1)c1ccc(cn1)C[*:1]
COc1cccc(CC(=O)N2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1ccc(cn1)Cc1ccccc1
CCc1nc(C)sc1CNC(=O)CCc1nc(-c2ccccc2C)no1 Cc1ccccc1[*:1] CCc1nc(C)sc1CNC(=O)CCc1nc(no1)[*:1]
CCc1nc(C)sc1CNC(=O)CCc1nc(-c2ccccc2C)no1 CCc1nc(C)sc1[*:1] Cc1ccccc1-c1noc(CCC(=O)NC[*:1])n1
CCc1ccc(N)cc1S(=O)(=O)N(C)CC(=O)NC CNC(=O)C[*:1] CCc1ccc(N)cc1S(=O)(=O)N(C)[*:1]
CCc1ccc(N)cc1S(=O)(=O)N(C)CC(=O)NC CNC(=O)[*:1] CCc1ccc(N)cc1S(=O)(=O)N(C)C[*:1]
CC(C)C[C@H]1COCCN1C(=O)CSCC(=O)c1ccccc1 CC(C)C[*:1] O=C(CSCC(=O)N1CCOC[C@@H]1[*:1])c1ccccc1
CC(C)C[C@H]1COCCN1C(=O)CSCC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@H]1COCCN1C(=O)CSCC(=O)[*:1]
CC(C)C[C@H]1COCCN1C(=O)CSCC(=O)c1ccccc1 CC(C)[*:1] O=C(CSCC(=O)N1CCOC[C@@H]1C[*:1])c1ccccc1
CCCCC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 CCCC[*:1] O=C(Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)[*:1]
CCCCC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 CCC[*:1] O=C(C[*:1])Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
CCCCC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 CCCCC(=O)N[*:1] O=S(=O)(Nc1ccccc1[*:1])c1ccc(Cl)cc1
CCCCC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCCC(=O)Nc1ccccc1NS(=O)(=O)[*:1]
CCCc1cc(C(=O)Nc2ccc3ccccc3c2)n(C)n1 CCC[*:1] Cn1nc(cc1C(=O)Nc1ccc2ccccc2c1)[*:1]
CC(C)(C)c1nc(CNC(=O)N[C@H]2CCCC2(C)C)no1 CC(C)(C)[*:1] CC1(C)CCC[C@@H]1NC(=O)NCc1noc(n1)[*:1]
CC(C)(C)c1nc(CNC(=O)N[C@H]2CCCC2(C)C)no1 CC1(C)CCC[C@@H]1[*:1] CC(C)(C)c1nc(CNC(=O)N[*:1])no1
Cc1noc(C)c1CC(=O)NCc1nnc2n1CCCC2 Cc1noc(C)c1[*:1] O=C(C[*:1])NCc1nnc2CCCCn21
CC(=O)N[C@H](C)C(=O)NCC1(c2ccc(F)cc2F)CC1 CC(=O)N[*:1] C[C@H](C(=O)NCC1(CC1)c1ccc(F)cc1F)[*:1]
CC(=O)N[C@H](C)C(=O)NCC1(c2ccc(F)cc2F)CC1 CC(=O)N[C@H](C)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1F)[*:1]
CCn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc(C)s2)cn1 Cc1ccc(C[*:1])s1 CCn1cc(cn1)[C@H]1OCC[C@H]1C[NH2+][*:1]
CCn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc(C)s2)cn1 CCn1cc(cn1)[*:1] Cc1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2[*:1])s1
CCn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc(C)s2)cn1 Cc1ccc(s1)[*:1] CCn1cc(cn1)[C@H]1OCC[C@H]1C[NH2+]C[*:1]
CCOC(=O)[C@@]1([NH2+]C)CC[C@H](S[C@@H]2CCC[C@H](C)C2)C1 CCOC(=O)[*:1] C[NH2+][C@]1(CC[C@@H](C1)S[C@@H]1CCC[C@H](C)C1)[*:1]
CCOC(=O)[C@@H](C)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21 CCOC(=O)[C@@H](C)[*:1] Cc1cc2nc(c(=O)n(c2cc1C)[*:1])C(F)(F)F
CCOC(=O)[C@@H](C)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21 FC(F)(F)[*:1] CCOC(=O)[C@@H](C)n1c(=O)c(nc2cc(C)c(C)cc21)[*:1]
CCOC(=O)[C@@H](C)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21 CCOC(=O)[*:1] Cc1cc2nc(c(=O)n(c2cc1C)[C@H](C)[*:1])C(F)(F)F
CCSc1ccc(NC(=O)C(=O)NCc2nc3ccccc3s2)cn1 CCS[*:1] O=C(NCc1nc2ccccc2s1)C(=O)Nc1ccc(nc1)[*:1]
Cc1ccc2c(c1)N(C(=O)c1ccc(-n3ccnn3)cc1)CCC2 c1cn(nn1)[*:1] Cc1ccc2CCCN(C(=O)c3ccc(cc3)[*:1])c2c1
CCC[C@H](CCc1ccccc1)NC(=O)N(C)CC c1ccc(cc1)[*:1] CCC[C@H](CC[*:1])NC(=O)N(C)CC
CCC[C@H](CCc1ccccc1)NC(=O)N(C)CC CCC[*:1] CCN(C)C(=O)N[C@@H](CCc1ccccc1)[*:1]
C[C@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccc2c(c1)OCO2 FC(F)(F)[*:1] C[C@H](NC(=O)N1CC[C@](O)(C1)[*:1])c1ccc2OCOc2c1
O[C@]1(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)CCCc2ccccc21 FC(F)(F)C[*:1] O[C@@]1(CCCc2ccccc21)C[NH2+][C@@H]1CCN(C1)[*:1]
O[C@]1(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)CCCc2ccccc21 FC(F)(F)[*:1] O[C@@]1(CCCc2ccccc21)C[NH2+][C@@H]1CCN(C1)C[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2cccc(C)c2)cc1 CC(=O)N[*:1] Cc1cccc(c1)CNC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2cccc(C)c2)cc1 Cc1cccc(c1)CNC(=O)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2[C@H]1C[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2cccc(C)c2)cc1 Cc1cccc(c1)C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2[C@H]1CC(=O)N[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCc2cccc(C)c2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1cccc(c1)CNC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)[*:1]
CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCOC(=O)c1ccccc1NC(=O)C=C[*:1]
CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Br)cc1 CCOC(=O)[*:1] O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1[*:1]
C[C@@H]1CN(Cc2noc(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] Fc1ccc(cc1)[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])Cc1noc(n1)[*:1]
COC[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)C(C)C COC[*:1] CC(C)[C@@H]([NH2+][C@H]1CCCN(C1)c1ccccc1F)[*:1]
COC[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)C(C)C Fc1ccccc1[*:1] COC[C@H]([NH2+][C@H]1CCCN(C1)[*:1])C(C)C
COC[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)C(C)C CC(C)[*:1] COC[C@H]([NH2+][C@H]1CCCN(C1)c1ccccc1F)[*:1]
CCOC(=O)c1ccc(N2CN(CCc3ccccc3)CNC2=S)cc1 c1ccc(cc1)CC[*:1] CCOC(=O)c1ccc(cc1)N1CN(CNC1=S)[*:1]
CCOC(=O)c1ccc(N2CN(CCc3ccccc3)CNC2=S)cc1 c1ccc(cc1)C[*:1] CCOC(=O)c1ccc(cc1)N1CN(CNC1=S)C[*:1]
CCOC(=O)c1ccc(N2CN(CCc3ccccc3)CNC2=S)cc1 CCOC(=O)[*:1] S=C1NCN(CCc2ccccc2)CN1c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(N2CN(CCc3ccccc3)CNC2=S)cc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)N1CN(CC[*:1])CNC1=S
CC(C)[C@@H](NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)c1nc(C2CC2)no1 CC(C)[*:1] O=C(N[C@@H](c1nc(no1)C1CC1)[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
CC(C)[C@@H](NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H](NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)c1nc(no1)[*:1]
C[NH+](C)CC(=O)N1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)CCc1nc2ccccc2n1[*:1]
O=C(CN1CCN(Cc2cccnc2)CC1)N1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(CN1CCN(CC1)Cc1cccnc1)N1CCC[C@H](C1)[*:1]
O=C(CN1CCN(Cc2cccnc2)CC1)N1CCC[C@H](C(F)(F)F)C1 c1cncc(c1)C[*:1] O=C(CN1CCN(CC1)[*:1])N1CCC[C@@H](C1)C(F)(F)F
O=C(CN1CCN(Cc2cccnc2)CC1)N1CCC[C@H](C(F)(F)F)C1 c1cncc(c1)[*:1] O=C(CN1CCN(CC1)C[*:1])N1CCC[C@@H](C1)C(F)(F)F
C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CCC(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CC[*:1]
C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CCC(=O)NC1CCCC1 Clc1cccc(Cl)c1[*:1] C[C@H](C[*:1])NC(=O)CCC(=O)NC1CCCC1
C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CCC(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CCC(=O)N[*:1]
Cc1oc(C(=O)N2CCCC(C)(C)CC2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N1CCCC(C)(C)CC1
O=C(Nc1ccccc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1)N1CCC(CC1)[C@@H](O)[*:1]
O=C(Nc1ccccc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])N1CCC(CC1)[C@@H](O)c1ccc(Cl)cc1
CC[C@@H](C)N(C)C(=O)CNC(=O)c1cccc(C)c1 CC[C@@H](C)[*:1] Cc1cccc(c1)C(=O)NCC(=O)N(C)[*:1]
CN(Cc1ccncc1)C(=O)c1ccc(I)cc1 c1cc(ccn1)[*:1] CN(C[*:1])C(=O)c1ccc(I)cc1
CC[C@H](CSC)N(C)C(=O)Nc1ccc(C)cc1F CSC[*:1] CC[C@H](N(C)C(=O)Nc1ccc(C)cc1F)[*:1]
Cc1cccc(NC(=O)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1C Cc1cccc(c1C)[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC(=O)N[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CSc1nnnn1-c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)CSc1nnnn1[*:1]
Cc1c(Cl)cccc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1 Oc1cccc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)N(C)[C@@H](C)[*:1]
Cc1cc(CC(=O)Nc2ccc(OC(F)F)c3ncccc23)no1 Cc1cc(no1)[*:1] O=C(C[*:1])Nc1ccc(OC(F)F)c2ncccc12
Cc1cc(CC(=O)Nc2ccc(OC(F)F)c3ncccc23)no1 FC(F)[*:1] Cc1cc(CC(=O)Nc2ccc(O[*:1])c3ncccc23)no1
Cc1cc(CC(=O)Nc2ccc(OC(F)F)c3ncccc23)no1 Cc1cc(C[*:1])no1 O=C(Nc1ccc(OC(F)F)c2ncccc12)[*:1]
Cc1cc(CC(=O)Nc2ccc(OC(F)F)c3ncccc23)no1 FC(F)O[*:1] Cc1cc(CC(=O)Nc2ccc(c3ncccc23)[*:1])no1
CNC(=O)c1nn(CN2CCN(c3cccc(C)c3C)CC2)c(=O)c2ccccc12 CNC(=O)[*:1] Cc1cccc(c1C)N1CCN(CC1)Cn1nc(c2ccccc2c1=O)[*:1]
CNC(=O)c1nn(CN2CCN(c3cccc(C)c3C)CC2)c(=O)c2ccccc12 Cc1cccc(c1C)[*:1] CNC(=O)c1nn(CN2CCN(CC2)[*:1])c(=O)c2ccccc12
CCCS(=O)(=O)c1ccc(NCc2cn[nH]c2N)cc1 CCC[*:1] Nc1[nH]ncc1CNc1ccc(cc1)S(=O)(=O)[*:1]
CCCS(=O)(=O)c1ccc(NCc2cn[nH]c2N)cc1 Nc1[nH]ncc1[*:1] CCCS(=O)(=O)c1ccc(cc1)NC[*:1]
CCCS(=O)(=O)c1ccc(NCc2cn[nH]c2N)cc1 CCCS(=O)(=O)[*:1] Nc1[nH]ncc1CNc1ccc(cc1)[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[*:1]
Cc1cc(Cl)ccc1NCc1c(C)n(C)n(-c2ccccc2)c1=O Cc1cc(Cl)ccc1[*:1] Cc1c(CN[*:1])c(=O)n(-c2ccccc2)n1C
Cc1cc(Cl)ccc1NCc1c(C)n(C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1NCc1c(C)n(C)n(c1=O)[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CCC(=O)N1CCC(=N1)c1ccccc1)N[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(=N1)[*:1])Nc1ccccc1F
CC(C)(C)[NH2+]Cc1ncoc1[C@H]1CCCCO1 CC(C)(C)[*:1] c1nc(C[NH2+][*:1])c(o1)[C@H]1CCCCO1
CC[NH+](CC)[C@@H](CNC(=O)c1ccncc1Cl)c1ccccc1 Clc1cnccc1[*:1] CC[NH+](CC)[C@@H](CNC(=O)[*:1])c1ccccc1
CC[NH+](CC)[C@@H](CNC(=O)c1ccncc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@@H](CNC(=O)c1ccncc1Cl)[*:1]
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cn1ncc(=O)c2ccccc21 NC(=O)[*:1] C[C@H]1CC[C@H](CN1C(=O)Cn1ncc(=O)c2ccccc21)[*:1]
CCOC(=O)[C@H]1CCCN(c2ncnc(NNC(=O)c3ccccc3)c2N)C1 CCOC(=O)[*:1] Nc1c(ncnc1N1CCC[C@@H](C1)[*:1])NNC(=O)c1ccccc1
CCOC(=O)[C@H]1CCCN(c2ncnc(NNC(=O)c3ccccc3)c2N)C1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCN(C1)c1ncnc(NNC(=O)[*:1])c1N
CSC[C@@](C)(O)CNC(=O)c1c(C)nc2ccccn12 CSC[*:1] Cc1nc2ccccn2c1C(=O)NC[C@@](C)(O)[*:1]
CC(C)CC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 CC(C)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)NS(=O)(=O)c1cccc(F)c1
CC(C)CC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 CC(C)C[*:1] O=C(N1CCC[C@@H](C1)NS(=O)(=O)c1cccc(F)c1)[*:1]
CC(C)CC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CC(C)CC(=O)N1CCC[C@@H](C1)NS(=O)(=O)[*:1]
CCn1cnnc1SCC(=O)c1ccc(OC)cc1OC CCn1cnnc1[*:1] COc1ccc(C(=O)CS[*:1])c(c1)OC
Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCCCCC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1S(=O)(=O)N1CCCCCC1)[*:1]
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1csc(-c2cccs2)n1 FC(F)(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1csc(n1)-c1cccs1
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1csc(-c2cccs2)n1 FC(F)(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)c1csc(n1)-c1cccs1
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] CN(Cc1ccc(cc1)OC(F)(F)F)C(=O)c1csc(n1)[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)N[*:1]
C[C@@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] C[C@@H]1CCC[C@H](NC(=O)CCNC(=O)[*:1])[C@@H]1C
CC1=C2[C@H](c3cccc(OCC(C)C)c3)CC(=O)N[C@@H]2N(c2ccc([O-])nn2)N1 CC(C)CO[*:1] CC1NN(c2ccc([O-])nn2)[C@H]2NC(=O)C[C@H](C=12)c1cccc(c1)[*:1]
CC1=C2[C@H](c3cccc(OCC(C)C)c3)CC(=O)N[C@@H]2N(c2ccc([O-])nn2)N1 CC(C)C[*:1] CC1NN(c2ccc([O-])nn2)[C@H]2NC(=O)C[C@H](C=12)c1cccc(c1)O[*:1]
CC1=C2[C@H](c3cccc(OCC(C)C)c3)CC(=O)N[C@@H]2N(c2ccc([O-])nn2)N1 CC(C)[*:1] CC1NN(c2ccc([O-])nn2)[C@H]2NC(=O)C[C@H](C=12)c1cccc(c1)OC[*:1]
CCc1c(C)sc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c1C(N)=O NS(=O)(=O)[*:1] CCc1c(C)sc(NC(=O)c2cc(c(Cl)cc2Cl)[*:1])c1C(N)=O
CCc1c(C)sc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c1C(N)=O NC(=O)[*:1] CCc1c(C)sc(NC(=O)c2cc(c(Cl)cc2Cl)S(N)(=O)=O)c1[*:1]
C[C@@H]1SCCC[C@]1(C[NH3+])N1CCC(C[NH+](C)C)CC1 C[NH+](C)C[*:1] C[C@@H]1SCCC[C@]1(C[NH3+])N1CCC(CC1)[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 Cc1c(cccc1[*:1])[N+](=O)[O-] COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 O=[N+]([O-])[*:1] COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(c1C)[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 COc1ccccc1[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)c1ccc(cc1)S(=O)(=O)N(C)[*:1]
O=C(c1cc2cccc(Cl)c2o1)N1CCC([C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc2cccc(Cl)c2o1)N1CCC(CC1)[C@@H](O)[*:1]
O=C(c1cc2cccc(Cl)c2o1)N1CCC([C@@H](O)c2ccccc2)CC1 O[C@@H](c1ccccc1)[*:1] O=C(c1cc2cccc(Cl)c2o1)N1CCC(CC1)[*:1]
Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CC[C@@H](C[C@H]1C)NC(=O)OC(C)(C)C
Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cnn1C(C)C CC(C)(C)OC(=O)N[*:1] Cc1c(cnn1C(C)C)C(=O)N1CC[C@H](C[C@H]1C)[*:1]
Cc1c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cnn1C(C)C CC(C)(C)[*:1] Cc1c(cnn1C(C)C)C(=O)N1CC[C@@H](C[C@H]1C)NC(=O)O[*:1]
O[C@H]1CCCC[C@@H]1[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] O[C@H]1CCCC[C@@H]1[NH+]1CCN(CC1)Cc1cnn(c1)[*:1]
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1nc2ccccc2[nH]1 Clc1ccc(cc1)S[*:1] C[C@@H](NC(=O)[C@H](C)[*:1])c1nc2ccccc2[nH]1
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1nc2ccccc2[nH]1 Clc1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)N[C@H](C)c1nc2ccccc2[nH]1
O=S(=O)(Cc1noc(Cc2ccccc2)n1)c1ccc2ccccc2c1 c1ccc(cc1)C[*:1] O=S(=O)(Cc1noc(n1)[*:1])c1ccc2ccccc2c1
O=S(=O)(Cc1noc(Cc2ccccc2)n1)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=S(=O)(Cc1noc(C[*:1])n1)c1ccc2ccccc2c1
COC(=O)c1cc([C@@H]2CC(=O)Nc3c2c(C(C)(C)C)nn3C)ccc1O COC(=O)[*:1] Cn1nc(c2c1NC(=O)C[C@H]2c1ccc(O)c(c1)[*:1])C(C)(C)C
COC(=O)c1cc([C@@H]2CC(=O)Nc3c2c(C(C)(C)C)nn3C)ccc1O CC(C)(C)[*:1] COC(=O)c1cc(ccc1O)[C@@H]1CC(=O)Nc2c1c(nn2C)[*:1]
CC[C@@H]([NH2+]CCCC(C)(C)C)c1cnn(C)c1 CC(C)(C)[*:1] CC[C@@H]([NH2+]CCC[*:1])c1cnn(C)c1
CC[C@@H]([NH2+]CCCC(C)(C)C)c1cnn(C)c1 CC(C)(C)C[*:1] CC[C@@H]([NH2+]CC[*:1])c1cnn(C)c1
Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2N(C)C)cc1F CN(C)[*:1] Cc1nccn1-c1ccc(cc1F)C[NH2+][C@@H](C)c1ccccc1[*:1]
Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2N(C)C)cc1F Cc1nccn1[*:1] C[C@H]([NH2+]Cc1ccc(c(F)c1)[*:1])c1ccccc1N(C)C
Cn1ncc(SCC(=O)[O-])c(Cl)c1=O O=C([O-])C[*:1] Cn1ncc(S[*:1])c(Cl)c1=O
Cn1ncc(SCC(=O)[O-])c(Cl)c1=O O=C([O-])[*:1] Cn1ncc(SC[*:1])c(Cl)c1=O
CN(C)C(=O)Nc1cccc(CN[C@H](Cc2ccccc2)C(F)(F)F)c1 c1ccc(cc1)C[*:1] CN(C)C(=O)Nc1cccc(c1)CN[C@H](C(F)(F)F)[*:1]
CN(C)C(=O)Nc1cccc(CN[C@H](Cc2ccccc2)C(F)(F)F)c1 c1ccc(cc1)[*:1] CN(C)C(=O)Nc1cccc(c1)CN[C@H](C[*:1])C(F)(F)F
CN(C)C(=O)Nc1cccc(CN[C@H](Cc2ccccc2)C(F)(F)F)c1 FC(F)(F)[*:1] CN(C)C(=O)Nc1cccc(c1)CN[C@H](Cc1ccccc1)[*:1]
CN(C)C(=O)Nc1cccc(CN[C@H](Cc2ccccc2)C(F)(F)F)c1 CN(C)C(=O)N[*:1] FC(F)(F)[C@@H](Cc1ccccc1)NCc1cccc(c1)[*:1]
CCN(CC)c1ncnc(Cl)c1[N+](=O)[O-] CCN(CC)[*:1] O=[N+]([O-])c1c(Cl)ncnc1[*:1]
CCN(CC)c1ncnc(Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(CC)c1ncnc(Cl)c1[*:1]
COc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C COc1ccccc1[*:1] Cn1ccnc1[C@H](NC(=O)C(=O)N[*:1])c1ccc(F)cc1
COc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
COc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C Fc1ccc(cc1)[*:1] COc1ccccc1NC(=O)C(=O)N[C@H](c1nccn1C)[*:1]
NC(=O)C1CCN(c2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] NC(=O)C1CCN(CC1)c1cc(ccc1[*:1])N1CCOCC1
NC(=O)C1CCN(c2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1 C1CN(CCO1)[*:1] NC(=O)C1CCN(CC1)c1cc(ccc1[N+](=O)[O-])[*:1]
NC(=O)C1CCN(c2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1 NC(=O)[*:1] O=[N+]([O-])c1ccc(cc1N1CCC(CC1)[*:1])N1CCOCC1
CCCCn1ncc(NC(=O)N2CCC[C@@H](C)[C@H]2CO)c1C CCC[*:1] Cc1c(cnn1C[*:1])NC(=O)N1CCC[C@@H](C)[C@H]1CO
CCCCn1ncc(NC(=O)N2CCC[C@@H](C)[C@H]2CO)c1C CCCC[*:1] Cc1c(cnn1[*:1])NC(=O)N1CCC[C@@H](C)[C@H]1CO
Cc1noc([C@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1[*:1]
Cc1noc([C@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)n1 Cc1noc(n1)[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCCC[C@@H]1[*:1]
Cc1ccc(NC(=O)[C@@H](C)Sc2nnnn2C2CC2)c(F)c1 C1CC1[*:1] Cc1ccc(NC(=O)[C@@H](C)Sc2nnnn2[*:1])c(F)c1
Cc1cc2c(c(=O)o1)C(c1ccc(Cl)c(Cl)c1)c1c(cc(C)oc1=O)O2 Clc1ccc(cc1Cl)[*:1] Cc1cc2Oc3cc(C)oc(=O)c3C(c2c(=O)o1)[*:1]
CCOc1ccc(F)c(C(=O)NCc2ccnc(OC(C)(C)C)c2)c1F CC(C)(C)[*:1] CCOc1ccc(F)c(C(=O)NCc2ccnc(c2)O[*:1])c1F
CCOc1ccc(F)c(C(=O)NCc2ccnc(OC(C)(C)C)c2)c1F CCO[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)NCc2ccnc(OC(C)(C)C)c2)c1F CC(C)(C)O[*:1] CCOc1ccc(F)c(C(=O)NCc2ccnc(c2)[*:1])c1F
CC[C@@H](C)NC(=O)c1ccnc(OC(C)(C)C)c1 CC[C@@H](C)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CC[C@@H](C)NC(=O)c1ccnc(c1)[*:1]
CC[C@@H](C)NC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CC[C@@H](C)NC(=O)c1ccnc(c1)O[*:1]
COc1ccccc1Nc1nc(N)nc(CSc2ccccc2C)n1 Cc1ccccc1[*:1] COc1ccccc1Nc1nc(N)nc(CS[*:1])n1
COc1ccccc1Nc1nc(N)nc(CSc2ccccc2C)n1 Cc1ccccc1S[*:1] COc1ccccc1Nc1nc(N)nc(C[*:1])n1
COc1ccccc1Nc1nc(N)nc(CSc2ccccc2C)n1 COc1ccccc1[*:1] Cc1ccccc1SCc1nc(N)nc(n1)N[*:1]
C=C(C)C(=O)Nc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] C=C(C)C(=O)Nc1ccc(/C=C/C(=O)[*:1])cc1
C=C(C)C(=O)Nc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1 C=C(C)C(=O)N[*:1] COc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)[*:1]
C=C(C)C(=O)Nc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1 C=C(C)[*:1] COc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)NC(=O)[*:1]
Cc1cc(OCC(=O)Nc2ccc([N-]S(C)(=O)=O)cc2)no1 Cc1cc(no1)O[*:1] CS(=O)(=O)[N-]c1ccc(cc1)NC(=O)C[*:1]
Cc1cc(OCC(=O)Nc2ccc([N-]S(C)(=O)=O)cc2)no1 Cc1cc(no1)[*:1] CS(=O)(=O)[N-]c1ccc(cc1)NC(=O)CO[*:1]
CCN(Cc1cccc(NC(=O)N(C)CCc2ccccn2)c1)C(C)=O c1ccc(C[*:1])nc1 CCN(Cc1cccc(c1)NC(=O)N(C)C[*:1])C(C)=O
CCN(Cc1cccc(NC(=O)N(C)CCc2ccccn2)c1)C(C)=O c1ccc(CC[*:1])nc1 CCN(Cc1cccc(c1)NC(=O)N(C)[*:1])C(C)=O
CCN(Cc1cccc(NC(=O)N(C)CCc2ccccn2)c1)C(C)=O CCN(C(C)=O)[*:1] CN(CCc1ccccn1)C(=O)Nc1cccc(c1)C[*:1]
CCN(Cc1cccc(NC(=O)N(C)CCc2ccccn2)c1)C(C)=O CCN(C[*:1])C(C)=O CN(CCc1ccccn1)C(=O)Nc1cccc(c1)[*:1]
CCN(Cc1cccc(NC(=O)N(C)CCc2ccccn2)c1)C(C)=O c1ccc(nc1)[*:1] CCN(Cc1cccc(c1)NC(=O)N(C)CC[*:1])C(C)=O
C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F FC(F)C[*:1] C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1S[*:1]
C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F FC(F)CS[*:1] C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1[*:1]
C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F FC(F)[*:1] C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1SC[*:1]
CNC(=O)[C@@H]1C[NH2+]CCN(C(C)=O)C1 CNC(=O)[*:1] CC(=O)N1CC[NH2+]C[C@H](C1)[*:1]
C[C@@H](NC(=O)N1CCC[C@@H](O)C1)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCC[C@@H](O)C1)C(C)(C)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1cc2cc([N+](=O)[O-])ccc2s1 O=[N+]([O-])[*:1] O=C(Nc1ccc2OCCOc2c1)c1cc2cc(ccc2s1)[*:1]
Cc1cc(F)ccc1CCNC(=O)CCc1nc(C2CC2)no1 C1CC1[*:1] Cc1cc(F)ccc1CCNC(=O)CCc1nc(no1)[*:1]
CC[C@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1cccc(c1)CS(=O)(=O)[*:1])c1ccccc1
CC[C@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1cccc(c1)CS(=O)(=O)c1ccccc1)[*:1]
CC[C@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 O=S(=O)(c1ccccc1)[*:1] CC[C@H](C(=O)Nc1cccc(c1)C[*:1])c1ccccc1
O=c1cc(CS(=O)(=O)c2ncccc2Cl)nc2ccccn12 Clc1cccnc1[*:1] O=c1cc(CS(=O)(=O)[*:1])nc2ccccn12
CS(=O)(=O)[N-]c1ccc2nc(SCc3ccccn3)sc2c1 c1ccc(C[*:1])nc1 CS(=O)(=O)[N-]c1ccc2nc(S[*:1])sc2c1
CS(=O)(=O)[N-]c1ccc2nc(SCc3ccccn3)sc2c1 c1ccc(nc1)[*:1] CS(=O)(=O)[N-]c1ccc2nc(SC[*:1])sc2c1
COC(=O)c1ccc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)o1 COC(=O)[*:1] O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1ccc(o1)[*:1]
COC(=O)c1ccc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)o1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(CN2C(=O)N[C@H](C2=O)[*:1])o1
COC(=O)c1ccc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)o1 c1ccc(cc1)[*:1] COC(=O)c1ccc(CN2C(=O)N[C@H](C[*:1])C2=O)o1
O=C(Nc1ccc(C(=O)NCCc2ccccc2)cc1)NC1CC1 C1CC1[*:1] O=C(Nc1ccc(cc1)C(=O)NCCc1ccccc1)N[*:1]
O=C(Nc1ccc(C(=O)NCCc2ccccc2)cc1)NC1CC1 O=C(NC1CC1)N[*:1] O=C(NCCc1ccccc1)c1ccc(cc1)[*:1]
O=C(Nc1ccc(C(=O)NCCc2ccccc2)cc1)NC1CC1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)C(=O)NC[*:1])NC1CC1
O=C(Nc1ccc(C(=O)NCCc2ccccc2)cc1)NC1CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(=O)NCC[*:1])NC1CC1
O=C(Nc1ccc(C(=O)NCCc2ccccc2)cc1)NC1CC1 c1ccc(cc1)CC[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])NC1CC1
O=C1CN(C(=O)c2c(F)cccc2Cl)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 Fc1cccc(Cl)c1[*:1] O=C1CN(C(=O)[*:1])[C@@H](c2ccccc2)c2cc(Cl)ccc2N1
O=C1CN(C(=O)c2c(F)cccc2Cl)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 c1ccc(cc1)[*:1] O=C1CN(C(=O)c2c(F)cccc2Cl)[C@@H](c2cc(Cl)ccc2N1)[*:1]
O=C(Nc1ccnn1Cc1ccc(Cl)cc1)[C@@H]1COc2ccccc2O1 Clc1ccc(cc1)C[*:1] O=C(Nc1ccnn1[*:1])[C@@H]1COc2ccccc2O1
O=C(Nc1ccnn1Cc1ccc(Cl)cc1)[C@@H]1COc2ccccc2O1 Clc1ccc(cc1)[*:1] O=C(Nc1ccnn1C[*:1])[C@@H]1COc2ccccc2O1
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)CC1CCC1 C1CC(C1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)C[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)CC1CCC1 CC(C)(C)[*:1] O=C(CC1CCC1)N[C@H]1CCCC[C@H]1CNC(=O)O[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)CC1CCC1 C1CC(C1)C[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[*:1]
C[C@@H](N[C@H]1CCCSc2ccccc21)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] C[C@@H](N[C@H]1CCCSc2ccccc21)c1nc(cs1)[*:1]
CCCn1c(=C(C#N)C#N)s/c(=C/c2ccccn2)c1=O c1ccc(nc1)[*:1] CCCn1c(sc(=C[*:1])c1=O)=C(C#N)C#N
CCCn1c(=C(C#N)C#N)s/c(=C/c2ccccn2)c1=O CCC[*:1] N#CC(C#N)=c1s/c(=C/c2ccccn2)c(=O)n1[*:1]
CC(C)N(CC(N)=O)C(=O)c1ccc2cc[nH]c2c1 NC(=O)[*:1] CC(C)N(C[*:1])C(=O)c1ccc2cc[nH]c2c1
CC(C)N(CC(N)=O)C(=O)c1ccc2cc[nH]c2c1 CC(C)[*:1] NC(=O)CN(C(=O)c1ccc2cc[nH]c2c1)[*:1]
CC(C)N(CC(N)=O)C(=O)c1ccc2cc[nH]c2c1 NC(=O)C[*:1] CC(C)N(C(=O)c1ccc2cc[nH]c2c1)[*:1]
C[NH2+]C[C@H](C)C(=O)Nc1snc(C)c1C(=O)[O-] O=C([O-])[*:1] C[NH2+]C[C@H](C)C(=O)Nc1snc(C)c1[*:1]
Cc1ccc(Cl)cc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 Cc1ccc(Cl)cc1[*:1] O=C(CN[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCC1
Cc1ccc(Cl)cc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 Cc1ccc(Cl)cc1N[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCC1
Cc1ccc(Cl)cc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(Cl)cc1NCC(=O)Nc1cccc(c1)[*:1]
CSCc1ccnc(NC2CCN(C(=O)c3cnccn3)CC2)c1 CSC[*:1] O=C(c1cnccn1)N1CCC(CC1)Nc1cc(ccn1)[*:1]
CSCc1ccnc(NC2CCN(C(=O)c3cnccn3)CC2)c1 c1cnc(cn1)[*:1] CSCc1ccnc(c1)NC1CCN(CC1)C(=O)[*:1]
CC[C@H]1C(=O)N[C@H](CC)C(=O)N1Cc1cscc1C Cc1cscc1[*:1] CC[C@H]1C(=O)N[C@H](CC)C(=O)N1C[*:1]
COc1ccc(-n2nc(C(=O)N[C@H](C)[C@H](CO)SC)cc2C)cc1 COc1ccc(cc1)[*:1] CS[C@@H](CO)[C@@H](C)NC(=O)c1cc(C)n(n1)[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cn2)o1 c1ccc(cc1)O[*:1] Cc1nc(C)c(o1)C(=O)Nc1ccc(cn1)[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cn2)o1 c1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)Nc1ccc(cn1)O[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cn2)o1 Cc1nc(C)c(o1)[*:1] O=C(Nc1ccc(cn1)Oc1ccccc1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(-c4sc(C)nc4C)o3)CC2=O)cc1 Cc1nc(C)c(s1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(o1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(-c4sc(C)nc4C)o3)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1nc(C)c(s1)-c1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])o1
C[C@@H]1CCCN(C(=O)COc2ccc(Nc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)COc1ccc(cc1)N[*:1]
C[C@@H]1CCCN(C(=O)COc2ccc(Nc3ccccc3)cc2)C1 c1ccc(cc1)N[*:1] C[C@@H]1CCCN(C1)C(=O)COc1ccc(cc1)[*:1]
COC(CNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2)OC COC(OC)[*:1] Cc1ccccc1-n1nc2CSCc2c1NC(=O)C(=O)NC[*:1]
COC(CNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2)OC Cc1ccccc1[*:1] COC(CNC(=O)C(=O)Nc1c2CSCc2nn1[*:1])OC
COC(CNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2)OC COC(C[*:1])OC Cc1ccccc1-n1nc2CSCc2c1NC(=O)C(=O)N[*:1]
CCCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc(C)c1 O=[N+]([O-])c1cnn(c1)[*:1] CCCn1c(nnc1-c1csc(C)c1)SC[*:1]
CCCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc(C)c1 CCC[*:1] Cc1cc(cs1)-c1nnc(SCn2cc(cn2)[N+](=O)[O-])n1[*:1]
CCCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc(C)c1 Cc1cc(cs1)[*:1] CCCn1c(nnc1[*:1])SCn1cc(cn1)[N+](=O)[O-]
CCCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc(C)c1 O=[N+]([O-])[*:1] CCCn1c(nnc1-c1csc(C)c1)SCn1cc(cn1)[*:1]
CCC[C@](C)(CO)NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)C[*:1] CCC[C@](C)(CO)NC(=O)Nc1cnn(c1)[*:1]
CCC[C@](C)(CO)NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CCC[C@](C)(CO)NC(=O)Nc1cnn(c1)C[*:1]
CCC[C@](C)(CO)NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 CCC[*:1] C[C@](CO)(NC(=O)Nc1cnn(c1)Cc1ccc(Cl)cc1)[*:1]
Cc1nc2scc(C)n2c1CNc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cc1nc2scc(C)n2c1CNc1ccc(cc1)[*:1]
C[C@@](N)(C(=O)N1CCCC[C@@H]1CCC(=O)[O-])C(F)(F)F O=C([O-])CC[*:1] C[C@@](N)(C(=O)N1CCCC[C@H]1[*:1])C(F)(F)F
C[C@@](N)(C(=O)N1CCCC[C@@H]1CCC(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@](N)(C(=O)N1CCCC[C@@H]1CC[*:1])C(F)(F)F
C[C@@](N)(C(=O)N1CCCC[C@@H]1CCC(=O)[O-])C(F)(F)F O=C([O-])C[*:1] C[C@@](N)(C(=O)N1CCCC[C@@H]1C[*:1])C(F)(F)F
C[C@@](N)(C(=O)N1CCCC[C@@H]1CCC(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(C(=O)N1CCCC[C@@H]1CCC(=O)[O-])[*:1]
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cnc2ccccc2n1 O=[N+]([O-])[*:1] O=C(OCc1cc(cc2COCOc21)[*:1])c1cnc2ccccc2n1
CCSc1nnc2n(N)c(=O)c3ccccc3n12 CCS[*:1] Nn1c(=O)c2ccccc2n2c(nnc12)[*:1]
CC1(C)CCN(C(=O)C23CC4CC(C2)CC(C(=O)N2CCC(C)(C)C2)(C4)C3)C1 CC1(C)CCN(C1)C(=O)[*:1] CC1(C)CCN(C1)C(=O)C12CC3CC(C1)CC(C3)(C2)[*:1]
CC[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(OC)cc1 O=S1(=O)CCCN1[*:1] CC[C@@H]([NH2+]CC[*:1])c1ccc(cc1)OC
CC1(C)C[C@@H]1NC(=O)[C@@](C)(N)C(F)(F)F FC(F)(F)[*:1] CC1(C)C[C@@H]1NC(=O)[C@@](C)(N)[*:1]
CC1(C)C[C@@H]1NC(=O)[C@@](C)(N)C(F)(F)F CC1(C)C[C@H]1[*:1] C[C@@](N)(C(=O)N[*:1])C(F)(F)F
Cc1ccccc1C(C)(C)CNC(=O)NC[C@@H](O)C1CCOCC1 Cc1ccccc1[*:1] CC(C)(CNC(=O)NC[C@@H](O)C1CCOCC1)[*:1]
Cc1ccccc1C(C)(C)CNC(=O)NC[C@@H](O)C1CCOCC1 C1CC(CCO1)[*:1] Cc1ccccc1C(C)(C)CNC(=O)NC[C@@H](O)[*:1]
Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)Cn2ccc3ccccc32)CC1 c1ccc2c(c1)ccn2[*:1] Cc1nn(-c2ccccn2)c(C)c1N1CCN(CC1)C(=O)C[*:1]
Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)Cn2ccc3ccccc32)CC1 c1ccc2c(c1)ccn2C[*:1] Cc1nn(-c2ccccn2)c(C)c1N1CCN(CC1)C(=O)[*:1]
Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)Cn2ccc3ccccc32)CC1 c1ccc(nc1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)Cn1ccc2ccccc21)[*:1]
COc1ccc(OC)c(NC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)Nc1cc(ncn1)N1CCN(CC1)[*:1]
COc1ccc(OC)c(NC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)c1 COc1ccc(OC)c(c1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)c1ccccc1)N[*:1]
O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(cc1)O[*:1]
O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(OC(F)(F)F)cc1 c1nnnn1[*:1] O=S(=O)([N-]c1ccccc1[*:1])c1ccc(cc1)OC(F)(F)F
O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(cc1)[*:1]
C[C@H]1CCC[C@H](NC(=O)/C(C#N)=C/c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](NC(=O)C(C#N)=C[*:1])[C@@H]1C
COc1ccc(C)cc1NC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12 Cc1ccc(cc1C)[*:1] COc1ccc(C)cc1NC(=O)c1cn(c(=O)c2ccccc12)[*:1]
COc1ccc(C)cc1NC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12 COc1ccc(C)cc1[*:1] Cc1ccc(cc1C)-n1cc(C(=O)N[*:1])c2ccccc2c1=O
CCN(C(=O)CSc1ccc(-n2nc3c(c2C)CCC3)nn1)c1ccccc1 Cc1c2CCCc2nn1[*:1] CCN(C(=O)CSc1ccc(nn1)[*:1])c1ccccc1
CCN(C(=O)CSc1ccc(-n2nc3c(c2C)CCC3)nn1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CSc1ccc(nn1)-n1nc2CCCc2c1C)[*:1]
C[NH2+]Cc1cc(F)c(OCCOc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] C[NH2+]Cc1cc(F)c(OCCO[*:1])c(F)c1
C[NH2+]Cc1cc(F)c(OCCOc2ccccc2)c(F)c1 c1ccc(cc1)O[*:1] C[NH2+]Cc1cc(F)c(OCC[*:1])c(F)c1
Cn1cc(CN2CCN([C@@H](CO)c3cccc(Cl)c3)CC2)cn1 Cn1cc(cn1)C[*:1] OC[C@@H](c1cccc(Cl)c1)N1CCN(CC1)[*:1]
Cn1cc(CN2CCN([C@@H](CO)c3cccc(Cl)c3)CC2)cn1 Clc1cccc(c1)[*:1] Cn1cc(cn1)CN1CCN(CC1)[C@@H](CO)[*:1]
Cn1cc(CN2CCN([C@@H](CO)c3cccc(Cl)c3)CC2)cn1 Cn1cc(cn1)[*:1] OC[C@@H](c1cccc(Cl)c1)N1CCN(CC1)C[*:1]
Cc1nn(CN2CCN(C(=O)c3cccs3)CC2)c(=S)n1C1CC1 C1CC1[*:1] Cc1nn(CN2CCN(CC2)C(=O)c2cccs2)c(=S)n1[*:1]
Cc1nn(CN2CCN(C(=O)c3cccs3)CC2)c(=S)n1C1CC1 c1csc(c1)[*:1] Cc1nn(CN2CCN(CC2)C(=O)[*:1])c(=S)n1C1CC1
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C(=O)C2CCCC2)CC1 C=C(C)C[*:1] CCN(C(=O)[C@H](C)N1CCN(CC1)C(=O)C1CCCC1)[*:1]
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C(=O)C2CCCC2)CC1 C1CCC(C1)[*:1] C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(CC1)C(=O)[*:1]
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C(=O)C2CCCC2)CC1 C=C(C)[*:1] CCN(C[*:1])C(=O)[C@H](C)N1CCN(CC1)C(=O)C1CCCC1
Cc1nc2ccccc2n1CC/[NH+]=C(/N)NC1CCCCCC1 C1CCCC(CC1)[*:1] Cc1nc2ccccc2n1CC/[NH+]=C(/N)N[*:1]
Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)N1CC[C@@H](C1)[NH+]1CCCC1
Cc1cc(C)c2c(n1)oc1c(N3CC[NH+](CC(N)=O)CC3)ncnc12 NC(=O)[*:1] Cc1cc(C)c2c(n1)oc1c(ncnc12)N1CC[NH+](CC1)C[*:1]
Cc1cc(C)c2c(n1)oc1c(N3CC[NH+](CC(N)=O)CC3)ncnc12 NC(=O)C[*:1] Cc1cc(C)c2c(n1)oc1c(ncnc12)N1CC[NH+](CC1)[*:1]
Cc1cccc(CCC(=O)OCc2nnc(-c3ccccc3Cl)o2)c1 Cc1cccc(c1)C[*:1] O=C(C[*:1])OCc1nnc(o1)-c1ccccc1Cl
Cc1cccc(CCC(=O)OCc2nnc(-c3ccccc3Cl)o2)c1 Clc1ccccc1[*:1] Cc1cccc(c1)CCC(=O)OCc1nnc(o1)[*:1]
Cc1cccc(CCC(=O)OCc2nnc(-c3ccccc3Cl)o2)c1 Cc1cccc(c1)[*:1] O=C(CC[*:1])OCc1nnc(o1)-c1ccccc1Cl
CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)c2O1 NS(=O)(=O)[*:1] CC1(C)Cc2cccc(OCc3ccc(cc3)C(=O)Nc3ccc(cc3)[*:1])c2O1
CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)c2O1 NS(=O)(=O)c1ccc(cc1)[*:1] CC1(C)Cc2cccc(OCc3ccc(cc3)C(=O)N[*:1])c2O1
COC(=O)c1sc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1c(sc(c1C)[*:1])S(=O)(=O)N1CCC(CC1)C(N)=O
COC(=O)c1sc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C(=O)OC)c1C NC(=O)[*:1] COC(=O)c1sc(c(C(=O)OC)c1C)S(=O)(=O)N1CCC(CC1)[*:1]
COC(=O)c1sc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1sc(c(c1C)[*:1])S(=O)(=O)N1CCC(CC1)C(N)=O
CCCc1c(C(=O)N2CCO[C@@H](CCC)C2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCCc1c([nH]c(C)c1[*:1])C(=O)N1CCO[C@@H](CCC)C1
CCCc1c(C(=O)N2CCO[C@@H](CCC)C2)[nH]c(C)c1C(C)=O CCC[*:1] CCCc1c([nH]c(C)c1C(C)=O)C(=O)N1CCO[C@@H](C1)[*:1]
CCCc1c(C(=O)N2CCO[C@@H](CCC)C2)[nH]c(C)c1C(C)=O CCC[*:1] CCC[C@H]1CN(CCO1)C(=O)c1[nH]c(C)c(C(C)=O)c1[*:1]
COc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3cccc(Br)c3)CC2)c1 Brc1cccc(c1)[*:1] COc1cccc(c1)Cc1c(C)nc(C)nc1N1CCN(CC1)C(=O)[*:1]
COc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3cccc(Br)c3)CC2)c1 COc1cccc(c1)C[*:1] Cc1nc(C)c(c(n1)N1CCN(CC1)C(=O)c1cccc(Br)c1)[*:1]
COc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3cccc(Br)c3)CC2)c1 COc1cccc(c1)[*:1] Cc1nc(C)c(C[*:1])c(n1)N1CCN(CC1)C(=O)c1cccc(Br)c1
Cc1ccccc1[C@@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 Cc1ccccc1[C@@H](C)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccncc1
Cc1ccccc1[C@@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 c1cc(ccn1)[*:1] Cc1ccccc1[C@@H](C)NC(=O)c1cc(nc2ccccc12)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 Cc1ccccc1[*:1] C[C@@H](NC(=O)c1cc(nc2ccccc12)-c1ccncc1)[*:1]
CN(Cc1ccccc1)c1nc2nonc2nc1N1CCCO1 c1ccc(cc1)[*:1] CN(C[*:1])c1nc2nonc2nc1N1CCCO1
CN(Cc1ccccc1)c1nc2nonc2nc1N1CCCO1 c1ccc(cc1)C[*:1] CN(c1nc2nonc2nc1N1CCCO1)[*:1]
CN(Cc1ccccc1)c1nc2nonc2nc1N1CCCO1 C1CON(C1)[*:1] CN(Cc1ccccc1)c1nc2nonc2nc1[*:1]
Cc1ncc(C(=O)N(C)CC2CCCC2)c(Br)c1Cl C1CCC(C1)[*:1] Cc1ncc(C(=O)N(C)C[*:1])c(Br)c1Cl
Cc1ncc(C(=O)N(C)CC2CCCC2)c(Br)c1Cl C1CCC(C1)C[*:1] Cc1ncc(C(=O)N(C)[*:1])c(Br)c1Cl
COc1ccc(CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CCC2=O)cc1 COc1ccc(cc1)[*:1] O=C1CCN(CCN1C[*:1])C(=O)C12CC3CC(CC(C3)C1)C2
COc1ccc(CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CCC2=O)cc1 COc1ccc(cc1)C[*:1] O=C1CCN(CCN1[*:1])C(=O)C12CC3CC(CC(C3)C1)C2
COCc1cccc(C[NH2+]Cc2ccc(F)cc2)c1 COC[*:1] Fc1ccc(cc1)C[NH2+]Cc1cccc(c1)[*:1]
C[NH+](C)CCN(C(=O)c1cnccn1)c1nc2c(F)cc(F)cc2s1 c1cnc(cn1)[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2c(F)cc(F)cc2s1
CC(C)[C@@H]1C(=O)NC(=O)C[C@H]1c1cc(Cl)cc(Cl)c1 CC(C)[*:1] O=C1C[C@@H](c2cc(Cl)cc(Cl)c2)[C@@H](C(=O)N1)[*:1]
CCSCC[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 CCSCC[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N[C@H](C)[*:1]
CCSCC[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 CCSC[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N[C@H](C)C[*:1]
CCSCC[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 CCS[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N[C@H](C)CC[*:1]
CCSCC[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCSCC[C@@H](C)NC(=O)N1CCN(CC1)C(=O)[*:1]
CCOCc1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 CCOC[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Nc1ccc(cc1)[*:1]
CCOCc1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 CCO[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Nc1ccc(cc1)C[*:1]
CN(C(=O)CCNS(C)(=O)=O)C1CCCCC1 CS(=O)(=O)N[*:1] CN(C(=O)CC[*:1])C1CCCCC1
CC(C)(C)NC(=O)CNC(=O)Nc1cnn(CC(F)F)c1 FC(F)C[*:1] CC(C)(C)NC(=O)CNC(=O)Nc1cnn(c1)[*:1]
CC(C)(C)NC(=O)CNC(=O)Nc1cnn(CC(F)F)c1 CC(C)(C)[*:1] O=C(CNC(=O)Nc1cnn(c1)CC(F)F)N[*:1]
CC(C)(C)NC(=O)CNC(=O)Nc1cnn(CC(F)F)c1 CC(C)(C)NC(=O)[*:1] O=C(NC[*:1])Nc1cnn(c1)CC(F)F
CC(C)(C)NC(=O)CNC(=O)Nc1cnn(CC(F)F)c1 FC(F)[*:1] CC(C)(C)NC(=O)CNC(=O)Nc1cnn(c1)C[*:1]
CCn1ncc(S(=O)(=O)N[C@H](C)c2ccccc2)c1C c1ccc(cc1)[*:1] CCn1ncc(c1C)S(=O)(=O)N[C@H](C)[*:1]
CC1(C)CC(=O)C(C)(C)c2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc21 O=C([O-])c1ccc(cc1)[*:1] CC1(C)CC(=O)C(C)(C)c2ccc(cc21)NC(=O)[*:1]
CC1(C)CC(=O)C(C)(C)c2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc21 O=C([O-])[*:1] CC1(C)CC(=O)C(C)(C)c2ccc(cc21)NC(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1c(NC(C)=O)sc([C@H](C)O)c1-c1ccccc1 CCOC(=O)[*:1] CC(=O)Nc1sc(c(-c2ccccc2)c1[*:1])[C@H](C)O
CCOC(=O)c1c(NC(C)=O)sc([C@H](C)O)c1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1c(NC(C)=O)sc(c1[*:1])[C@H](C)O
CCOC(=O)c1c(NC(C)=O)sc([C@H](C)O)c1-c1ccccc1 CC(=O)N[*:1] CCOC(=O)c1c(sc(c1-c1ccccc1)[C@H](C)O)[*:1]
O=C(NC[C@H](O)c1c(F)cccc1F)c1cccc(OCC(F)F)n1 FC(F)[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)c1cccc(n1)OC[*:1]
O=C(NC[C@H](O)c1c(F)cccc1F)c1cccc(OCC(F)F)n1 FC(F)C[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)c1cccc(n1)O[*:1]
O=C(NC[C@H](O)c1c(F)cccc1F)c1cccc(OCC(F)F)n1 Fc1cccc(F)c1[*:1] O=C(NC[C@H](O)[*:1])c1cccc(n1)OCC(F)F
O=C(NC[C@H](O)c1c(F)cccc1F)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)c1cccc(n1)[*:1]
COCC(=O)N1C[C@@H](C)c2ccccc21 COC[*:1] C[C@@H]1CN(C(=O)[*:1])c2ccccc21
COc1ccc(CCCNC(=O)NNC(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)CCCNC(=O)NNC(=O)[*:1]
C[C@H]1CCN(C(=O)c2csc(-c3ccsc3)n2)C[C@H]1O c1cc(cs1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1csc(n1)[*:1]
CC(=O)Nc1ccc(C2=NN(C(C)=O)[C@@H](c3cccs3)C2)cc1 c1csc(c1)[*:1] CC(=O)Nc1ccc(cc1)C1C[C@H](N(N=1)C(C)=O)[*:1]
CC(=O)Nc1ccc(C2=NN(C(C)=O)[C@@H](c3cccs3)C2)cc1 CC(=O)N[*:1] CC(=O)N1N=C(C[C@@H]1c1cccs1)c1ccc(cc1)[*:1]
CC[C@@H](C)CN(CC)c1ncc(Br)cc1C[NH3+] CC[C@@H](C)[*:1] CCN(C[*:1])c1ncc(Br)cc1C[NH3+]
CC[C@@H](C)CN(CC)c1ncc(Br)cc1C[NH3+] CC[C@@H](C)C[*:1] CCN(c1ncc(Br)cc1C[NH3+])[*:1]
COc1ccccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(C)cc1)[*:1]
COc1ccccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1nccn1C COc1ccccc1[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[C@@H](c1nccn1C)[*:1]
COc1ccccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1nccn1C Cc1ccc(cc1)[*:1] COc1ccccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1nccn1C
CN1C[C@H](NC(=O)/C=C/c2cnc(C(C)(C)C)s2)CCC1=O CC(C)(C)[*:1] CN1C[C@@H](CCC1=O)NC(=O)/C=C/c1cnc(s1)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnnn1[*:1]
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc2cccnc12 FC(F)(F)[*:1] O=C(NNc1cccc(c1)[*:1])c1cccc2cccnc12
CC(C)c1ccc([C@@H]2C[NH2+][C@@H](C)[C@@H](C)O2)cc1 CC(C)[*:1] C[C@@H]1[NH2+]C[C@H](O[C@@H]1C)c1ccc(cc1)[*:1]
C[C@@H](CO)CS(=O)(=O)CC(=O)N(C)Cc1cccs1 c1csc(c1)[*:1] C[C@@H](CO)CS(=O)(=O)CC(=O)N(C)C[*:1]
C[C@@H](CO)CS(=O)(=O)CC(=O)N(C)Cc1cccs1 c1csc(c1)C[*:1] C[C@@H](CO)CS(=O)(=O)CC(=O)N(C)[*:1]
COc1ccc(C(=O)Nc2cccc(-c3cc4cc(F)ccc4[nH]3)c2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1cc2cc(F)ccc2[nH]1)[*:1]
CCOC(=O)CCN1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 CCOC(=O)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)CC[*:1]
CCOC(=O)CCN1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 CCOC(=O)C[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C[*:1]
CC(=O)Nc1cc(NC(=O)N[C@@H](CCO)c2cccs2)ccc1C c1csc(c1)[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)N[C@@H](CCO)[*:1]
CC(=O)Nc1cc(NC(=O)N[C@@H](CCO)c2cccs2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@@H](CCO)c1cccs1
CC(=O)Nc1cc(NC(=O)N[C@@H](CCO)c2cccs2)ccc1C OCC[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)N[C@@H](c1cccs1)[*:1]
O=C(Cc1nc(COc2ccc(Cl)cc2)n[nH]1)NNc1ccccc1 Clc1ccc(cc1)O[*:1] O=C(Cc1nc(C[*:1])n[nH]1)NNc1ccccc1
O=C(Cc1nc(COc2ccc(Cl)cc2)n[nH]1)NNc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1nc(COc2ccc(Cl)cc2)n[nH]1)NN[*:1]
O=C(Cc1nc(COc2ccc(Cl)cc2)n[nH]1)NNc1ccccc1 Clc1ccc(cc1)[*:1] O=C(Cc1nc(CO[*:1])n[nH]1)NNc1ccccc1
O=C(CCc1ccc(F)cc1)Nc1cnn(CC2CC2)c1 C1CC1C[*:1] O=C(CCc1ccc(F)cc1)Nc1cnn(c1)[*:1]
O=C(CCc1ccc(F)cc1)Nc1cnn(CC2CC2)c1 C1CC1[*:1] O=C(CCc1ccc(F)cc1)Nc1cnn(c1)C[*:1]
O=C(CCc1ccc(F)cc1)Nc1cnn(CC2CC2)c1 Fc1ccc(cc1)[*:1] O=C(CC[*:1])Nc1cnn(c1)CC1CC1
CCn1cc(C(=O)N2CCC(c3nnc(Cn4ccnc4)n3C)CC2)cn1 c1cn(cn1)C[*:1] CCn1cc(cn1)C(=O)N1CCC(CC1)c1nnc(n1C)[*:1]
CCn1cc(C(=O)N2CCC(c3nnc(Cn4ccnc4)n3C)CC2)cn1 CCn1cc(cn1)[*:1] Cn1c(Cn2ccnc2)nnc1C1CCN(CC1)C(=O)[*:1]
CCn1cc(C(=O)N2CCC(c3nnc(Cn4ccnc4)n3C)CC2)cn1 c1cn(cn1)[*:1] CCn1cc(cn1)C(=O)N1CCC(CC1)c1nnc(C[*:1])n1C
CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 CCC(C)(C)NC(=O)[*:1] O=S(=O)([N-]c1ccccc1Cl)c1ccc(cc1)[*:1]
CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 CCC(C)(C)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)[N-]c1ccccc1Cl
CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCC(C)(C)NC(=O)c1ccc(cc1)S(=O)(=O)[N-][*:1]
CC1(NC(=O)NCCCN2CCCCCC2=O)Cc2ccccc2C1 O=C1CCCCCN1[*:1] CC1(Cc2ccccc2C1)NC(=O)NCCC[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCc3nnc(C)n3C)CCC2=O)cc1C Cc1nnc(C[*:1])n1C Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCc3nnc(C)n3C)CCC2=O)cc1C Cc1nnc(n1C)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCc3nnc(C)n3C)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1nnc(CNC(=O)[C@H]2CCC(=O)N(C2)[*:1])n1C
CCc1cc(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)n(C)n1 c1ccc(cc1)[*:1] CCc1cc(NC(=O)CN[C@@H](C(F)(F)F)[*:1])n(C)n1
CCc1cc(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)n(C)n1 FC(F)(F)[*:1] CCc1cc(NC(=O)CN[C@@H](c2ccccc2)[*:1])n(C)n1
CCc1cc(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)n(C)n1 CCc1cc(n(C)n1)[*:1] O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N[*:1]
CN(CCc1cccs1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CN(CCc1cccs1)C(=O)[C@@H]1C[C@@H]1c1ccccc1[*:1]
CN(CCc1cccs1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F c1csc(c1)CC[*:1] CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)[*:1]
CN(CCc1cccs1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F c1csc(c1)C[*:1] CN(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
CN(CCc1cccs1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F c1csc(c1)[*:1] CN(CC[*:1])C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
CC(C)CN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CC(C)CN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CC(C)CN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O CC(C)C[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[*:1]
CC(C)CN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O CC(C)[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(C[*:1])C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O
CC(C)CN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CC(C)CN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1c(N)n(C[*:1])c(=O)[nH]c1=O
COc1ccccc1[C@@H](Nc1nccn(C)c1=O)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](Nc1nccn(C)c1=O)[*:1]
COc1ccccc1[C@@H](Nc1nccn(C)c1=O)c1ccccn1 COc1ccccc1[*:1] Cn1ccnc(N[C@@H](c2ccccn2)[*:1])c1=O
COc1ccccc1[C@@H](Nc1nccn(C)c1=O)c1ccccn1 Cn1ccnc(c1=O)[*:1] COc1ccccc1[C@@H](N[*:1])c1ccccn1
CC(C)C[C@H](C[NH3+])CN1CC[NH+](CC2CC2)CC1 C1CC1[*:1] CC(C)C[C@H](C[NH3+])CN1CC[NH+](CC1)C[*:1]
CC(C)C[C@H](C[NH3+])CN1CC[NH+](CC2CC2)CC1 CC(C)C[*:1] [NH3+]C[C@H](CN1CC[NH+](CC1)CC1CC1)[*:1]
CC(C)C[C@H](C[NH3+])CN1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] CC(C)C[C@H](C[NH3+])CN1CC[NH+](CC1)[*:1]
CC(C)C[C@H](C[NH3+])CN1CC[NH+](CC2CC2)CC1 CC(C)[*:1] [NH3+]C[C@H](CN1CC[NH+](CC1)CC1CC1)C[*:1]
CCOc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CCOc1cccc(c1)[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(c1)[*:1]
CCOc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 CCO[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(c1)[N+](=O)[O-])c1cccc(c1)[*:1]
CCOc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 CCOc1cccc(c1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
O=C(CCCN1C(=O)CNC1=O)N[C@H]1CCN(c2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] O=C(CCCN1C(=O)CNC1=O)N[C@H]1CCN(C1)[*:1]
O=C(CCCN1C(=O)CNC1=O)N[C@H]1CCN(c2c(F)cccc2F)C1 O=C1CNC(=O)N1[*:1] O=C(CCC[*:1])N[C@H]1CCN(C1)c1c(F)cccc1F
O=C(CCCN1C(=O)CNC1=O)N[C@H]1CCN(c2c(F)cccc2F)C1 O=C1CNC(=O)N1C[*:1] O=C(CC[*:1])N[C@H]1CCN(C1)c1c(F)cccc1F
O=C(Nc1ccc2ncccc2c1)[C@@H]1CCCC[C@@H]1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc2ncccc2c1)[C@@H]1CCCC[C@H]1[*:1]
CCC(=O)NCc1ccc(-c2noc([C@H]3CCCO3)n2)s1 CCC(=O)NC[*:1] c1cc(sc1-c1noc(n1)[C@H]1CCCO1)[*:1]
CCC(=O)NCc1ccc(-c2noc([C@H]3CCCO3)n2)s1 CCC(=O)N[*:1] c1cc(sc1C[*:1])-c1noc(n1)[C@H]1CCCO1
CCC(=O)NCc1ccc(-c2noc([C@H]3CCCO3)n2)s1 C1CO[C@H](C1)[*:1] CCC(=O)NCc1ccc(s1)-c1noc(n1)[*:1]
Cc1ccc(C[NH+]2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)o1 O=C(N1CCOCC1)[*:1] Cc1ccc(C[NH+]2CCC(CC2)N2CCC(CC2)[*:1])o1
Cc1ccc(C[NH+]2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)o1 Cc1ccc(C[*:1])o1 O=C(C1CCN(CC1)C1CC[NH+](CC1)[*:1])N1CCOCC1
Cc1ccc(C[NH+]2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)o1 Cc1ccc(o1)[*:1] O=C(C1CCN(CC1)C1CC[NH+](CC1)C[*:1])N1CCOCC1
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2oc3ccccc3c2C)c1 CCN(CC)S(=O)(=O)[*:1] Cc1c(oc2ccccc12)[C@@H](C)NC(=O)c1cccc(c1)[*:1]
CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@H]1c1cccs1 CCOC(=O)[*:1] Cc1cccc(c1C)N1CCN(CC1)CC1NC(=O)N[C@H](C=1[*:1])c1cccs1
CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@H]1c1cccs1 Cc1cccc(c1C)[*:1] CCOC(=O)C1=C(CN2CCN(CC2)[*:1])NC(=O)N[C@H]1c1cccs1
CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@H]1c1cccs1 c1csc(c1)[*:1] CCOC(=O)C1=C(CN2CCN(CC2)c2cccc(C)c2C)NC(=O)N[C@@H]1[*:1]
CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(C#N)cc3)nc2c1 CCO[*:1] N#Cc1ccc(cc1)NC(=O)CSc1nc2cc(ccc2[nH]1)[*:1]
CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(C#N)cc3)nc2c1 N#Cc1ccc(cc1)[*:1] CCOc1ccc2[nH]c(nc2c1)SCC(=O)N[*:1]
CCCC(=O)Nc1cccc(CNC(=O)N2CCSCC2)c1 CCCC(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])N1CCSCC1
CCCC(=O)Nc1cccc(CNC(=O)N2CCSCC2)c1 CCC[*:1] O=C(NCc1cccc(c1)NC(=O)[*:1])N1CCSCC1
CCCCN(C)C(=O)[C@@H](c1ccccc1C)N(C)C CN(C)[*:1] CCCCN(C)C(=O)[C@@H](c1ccccc1C)[*:1]
CCCCN(C)C(=O)[C@@H](c1ccccc1C)N(C)C CCCC[*:1] Cc1ccccc1[C@H](C(=O)N(C)[*:1])N(C)C
CCCCN(C)C(=O)[C@@H](c1ccccc1C)N(C)C CCC[*:1] Cc1ccccc1[C@H](C(=O)N(C)C[*:1])N(C)C
Cc1cc(OC(=O)Cc2cccs2)cc2c1C(=O)/C(=C/c1ccccn1)O2 c1csc(c1)C[*:1] Cc1cc(cc2O/C(=C\c3ccccn3)C(=O)c12)OC(=O)[*:1]
Cc1cc(OC(=O)Cc2cccs2)cc2c1C(=O)/C(=C/c1ccccn1)O2 c1ccc(nc1)[*:1] Cc1cc(cc2OC(=C[*:1])C(=O)c12)OC(=O)Cc1cccs1
Cc1cc(OC(=O)Cc2cccs2)cc2c1C(=O)/C(=C/c1ccccn1)O2 O=C(Cc1cccs1)O[*:1] Cc1cc(cc2O/C(=C\c3ccccn3)C(=O)c12)[*:1]
Cc1cc(OC(=O)Cc2cccs2)cc2c1C(=O)/C(=C/c1ccccn1)O2 c1csc(c1)[*:1] Cc1cc(cc2O/C(=C\c3ccccn3)C(=O)c12)OC(=O)C[*:1]
Cc1[nH]c2ccccc2c1C(=O)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] Cc1[nH]c2ccccc2c1C(=O)Nc1ccn(n1)[*:1]
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)[*:1]
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccco2)n1[*:1])c1c[nH]c2ccccc12
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1c[nH]c2ccccc12 c1coc(c1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])c1c[nH]c2ccccc12
CC(C)[C@H](O)CCNC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 CC(C)[*:1] N#Cc1ccc(cc1)Cn1cnc(n1)NC(=O)NCC[C@@H](O)[*:1]
CC(C)[C@H](O)CCNC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 N#Cc1ccc(cc1)[*:1] CC(C)[C@H](O)CCNC(=O)Nc1ncn(C[*:1])n1
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 Clc1ccc(c(Cl)c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 Fc1ccc(cc1)[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 Clc1ccc(O[*:1])c(Cl)c1 C[C@@H](C(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)c1ccc(F)cc1)[*:1]
Cc1cc(C(=O)NC[C@H](CCO)c2ccccc2)nn1C Cc1cc(nn1C)[*:1] O=C(NC[C@H](CCO)c1ccccc1)[*:1]
Cc1cc(C(=O)NC[C@H](CCO)c2ccccc2)nn1C c1ccc(cc1)[*:1] Cc1cc(nn1C)C(=O)NC[C@H](CCO)[*:1]
Cc1cc(C(=O)NC[C@H](CCO)c2ccccc2)nn1C OCC[*:1] Cc1cc(nn1C)C(=O)NC[C@H](c1ccccc1)[*:1]
CCn1cc(-c2cc(C(F)F)c3c(C)noc3n2)c(C)n1 FC(F)[*:1] CCn1cc(-c2cc(c3c(C)noc3n2)[*:1])c(C)n1
O=C(NC[C@H]1CC[C@@H](C(=O)[O-])O1)c1ccc(Br)c(F)c1 O=C([O-])[*:1] O=C(NC[C@H]1CC[C@@H](O1)[*:1])c1ccc(Br)c(F)c1
CC(C)[C@H](C(=O)N1CCC[C@H](n2cccn2)C1)n1cncn1 c1ncn(n1)[*:1] CC(C)[C@H](C(=O)N1CCC[C@@H](C1)n1cccn1)[*:1]
CC(C)[C@H](C(=O)N1CCC[C@H](n2cccn2)C1)n1cncn1 c1cnn(c1)[*:1] CC(C)[C@H](C(=O)N1CCC[C@H](C1)[*:1])n1cncn1
CC(C)[C@H](C(=O)N1CCC[C@H](n2cccn2)C1)n1cncn1 CC(C)[*:1] O=C([C@H](n1cncn1)[*:1])N1CCC[C@@H](C1)n1cccn1
CCCNC(=O)[C@@H]1CCCN(C(=O)c2c[nH]c3cccc(F)c23)C1 CCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1c[nH]c2cccc(F)c12
CCCNC(=O)[C@@H]1CCCN(C(=O)c2c[nH]c3cccc(F)c23)C1 CCCNC(=O)[*:1] O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@H](C1)[*:1]
COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H]([NH+](C)C)C3)o2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@@H](C3)[NH+](C)C)o2)c(c1)[*:1]
COc1ccccc1[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O CC(C)(C)[*:1] COc1ccccc1[C@@H]1CCN(C[C@H]1O)C(=O)O[*:1]
O=S(=O)(Cc1ccccc1)[N-]c1scnc1-c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=S(=O)([N-]c1scnc1-c1ccc(F)cc1)[*:1]
O=S(=O)(Cc1ccccc1)[N-]c1scnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(Cc1ccccc1)[N-]c1scnc1[*:1]
O=S(=O)(Cc1ccccc1)[N-]c1scnc1-c1ccc(F)cc1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])[N-]c1scnc1-c1ccc(F)cc1
Clc1cccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)c1 Clc1cccc(c1)[*:1] c1cc2OCOc2cc1C[NH2+]Cc1ccc(o1)[*:1]
O=C(NC[C@H]1CCC[C@@H]1O)Nc1nc(-c2ccccc2)ns1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCC[C@@H]1O)Nc1nc(ns1)[*:1]
C[C@@H](CS(C)(=O)=O)NC(=O)N(C)Cc1ccc(Cl)c(F)c1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])NC(=O)N(C)Cc1ccc(Cl)c(F)c1
C[C@@H](CS(C)(=O)=O)NC(=O)N(C)Cc1ccc(Cl)c(F)c1 CS(=O)(=O)C[*:1] C[C@@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[*:1]
C[C@@H](CS(C)(=O)=O)NC(=O)N(C)Cc1ccc(Cl)c(F)c1 C[C@@H](CS(C)(=O)=O)[*:1] CN(Cc1ccc(Cl)c(F)c1)C(=O)N[*:1]
O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1n[nH]c(C2CC2)c1Cl C1CC1[*:1] O=C(NCC1(CCOCC1)[NH+]1CCCCC1)c1n[nH]c(c1Cl)[*:1]
C[C@H](CCOc1ccccc1)C(=O)N[C@@H](C#N)c1ccccc1F Fc1ccccc1[*:1] C[C@H](CCOc1ccccc1)C(=O)N[C@@H](C#N)[*:1]
C[C@H](CCOc1ccccc1)C(=O)N[C@@H](C#N)c1ccccc1F c1ccc(cc1)[*:1] C[C@H](CCO[*:1])C(=O)N[C@@H](C#N)c1ccccc1F
C[C@H](CCOc1ccccc1)C(=O)N[C@@H](C#N)c1ccccc1F c1ccc(cc1)OC[*:1] C[C@H](C[*:1])C(=O)N[C@@H](C#N)c1ccccc1F
C[C@H](CCOc1ccccc1)C(=O)N[C@@H](C#N)c1ccccc1F c1ccc(cc1)O[*:1] C[C@H](CC[*:1])C(=O)N[C@@H](C#N)c1ccccc1F
Cc1cc(C)n(-c2ccc(CNC(=O)N[C@H]3CCC[C@@H]3C(N)=O)cn2)n1 NC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)CNC(=O)N[C@H]1CCC[C@H]1[*:1]
Cc1cc(C)n(-c2ccc(CNC(=O)N[C@H]3CCC[C@@H]3C(N)=O)cn2)n1 Cc1cc(C)n(n1)[*:1] NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(nc1)[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2C)C1 Cc1ccccc1[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NC[*:1]
O=C(Cn1ccccc1=O)NCc1cccc(C(F)(F)F)c1 O=c1ccccn1[*:1] O=C(C[*:1])NCc1cccc(c1)C(F)(F)F
O=C(Cn1ccccc1=O)NCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cn1ccccc1=O)NCc1cccc(c1)[*:1]
CC(C)[C@H]1C[NH2+]CC[C@]12CCO[C@H](C)C2 CC(C)[*:1] C[C@@H]1C[C@@]2(CC[NH2+]C[C@@H]2[*:1])CCO1
C[NH+](Cc1cccc2cn[nH]c12)C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] C[NH+](Cc1cccc2cn[nH]c12)C1CCN(CC1)C(=O)O[*:1]
CC[C@H](C)NC(=O)CNC(=O)c1ccc(C)c(C)c1 CC[C@H](C)[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N[*:1]
CC[NH+]1CCN(Cc2nc3nc(C)cc(N4CCCCCC4)n3n2)CC1 C1CCCN(CC1)[*:1] CC[NH+]1CCN(CC1)Cc1nc2nc(C)cc(n2n1)[*:1]
C[C@H]1CN(Cc2ccccc2NC=C(C#N)C#N)C[C@H](C)O1 N#CC(C#N)=C[*:1] C[C@H]1CN(Cc2ccccc2N[*:1])C[C@H](C)O1
C[C@H]1CN(Cc2ccccc2NC=C(C#N)C#N)C[C@H](C)O1 N#CC(C#N)=CN[*:1] C[C@H]1CN(Cc2ccccc2[*:1])C[C@H](C)O1
Cc1nc(C)c(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)s1 Cc1nc(C)c(s1)[*:1] O=C(COC(=O)[*:1])N[C@H]1CCCc2ccccc21
C#CCN(CC(=O)[O-])C(=O)N(C)[C@H](C)c1cccs1 O=C([O-])C[*:1] C#CCN(C(=O)N(C)[C@H](C)c1cccs1)[*:1]
C#CCN(CC(=O)[O-])C(=O)N(C)[C@H](C)c1cccs1 C#CC[*:1] C[C@H](c1cccs1)N(C)C(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)N(C)[C@H](C)c1cccs1 c1csc(c1)[*:1] C#CCN(CC(=O)[O-])C(=O)N(C)[C@H](C)[*:1]
C#CCN(CC(=O)[O-])C(=O)N(C)[C@H](C)c1cccs1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)N(C)[C@H](C)c1cccs1
Cc1ccc(NC(=O)C(=O)N2CCCC2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] Cc1ccc(NC(=O)C(=O)N2CCCC2)c(c1)[*:1]
Cc1ccc(NC(=O)C(=O)N2CCCC2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(NC(=O)C(=O)N2CCCC2)c(c1)OC[*:1]
CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 CC(C)[*:1] CC[C@@H]1CN(CC[C@@H]1[NH2+]Cc1cccc(C#N)c1)S(=O)(=O)[*:1]
CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC[C@@H]1CN(CC[C@@H]1[NH2+]C[*:1])S(=O)(=O)C(C)C
Cc1ccc2c(nc3s/c(=C\c4ccc(F)cc4F)c(=O)n32)c1C Fc1ccc(c(F)c1)[*:1] Cc1ccc2c(nc3sc(=C[*:1])c(=O)n32)c1C
O=C(NCCc1cccc(O)c1)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(NCCc1cccc(O)c1)N1CCC[C@H]1C[*:1]
O=C(NCCc1cccc(O)c1)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(NCCc1cccc(O)c1)N1CCC[C@@H]1[*:1]
O=C(NCCc1cccc(O)c1)N1CCC[C@H]1CN1CCOCC1 Oc1cccc(c1)C[*:1] O=C(NC[*:1])N1CCC[C@H]1CN1CCOCC1
O=C(NCCc1cccc(O)c1)N1CCC[C@H]1CN1CCOCC1 Oc1cccc(c1)[*:1] O=C(NCC[*:1])N1CCC[C@H]1CN1CCOCC1
O=C1NC([O-])=C2C[NH+](Cc3ccco3)CN=C2N1c1ccccc1F c1coc(c1)C[*:1] O=C1NC([O-])=C2C[NH+](CN=C2N1c1ccccc1F)[*:1]
O=C1NC([O-])=C2C[NH+](Cc3ccco3)CN=C2N1c1ccccc1F c1coc(c1)[*:1] O=C1NC([O-])=C2C[NH+](CN=C2N1c1ccccc1F)C[*:1]
O=C1NC([O-])=C2C[NH+](Cc3ccco3)CN=C2N1c1ccccc1F Fc1ccccc1[*:1] O=C1NC([O-])=C2C[NH+](CN=C2N1[*:1])Cc1ccco1
Cc1c(O)cccc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 Cc1c(O)cccc1[*:1] O=C(N1C[C@@H](O)C[C@@H]1c1cccc(c1)C(F)(F)F)[*:1]
Cc1c(O)cccc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1c(O)cccc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(c1)[*:1]
COC(=O)CN(Cc1ccccc1)Oc1ccc(Cl)cc1 COC(=O)C[*:1] Clc1ccc(cc1)ON(Cc1ccccc1)[*:1]
COC(=O)CN(Cc1ccccc1)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)CN(Cc1ccccc1)O[*:1]
COC(=O)CN(Cc1ccccc1)Oc1ccc(Cl)cc1 COC(=O)[*:1] Clc1ccc(cc1)ON(Cc1ccccc1)C[*:1]
COC(=O)CN(Cc1ccccc1)Oc1ccc(Cl)cc1 c1ccc(cc1)[*:1] COC(=O)CN(C[*:1])Oc1ccc(Cl)cc1
COC(=O)CN(Cc1ccccc1)Oc1ccc(Cl)cc1 c1ccc(cc1)C[*:1] COC(=O)CN(Oc1ccc(Cl)cc1)[*:1]
Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
COC[C@](C)(O)C1(C#N)CCCC1 COC[*:1] C[C@](O)(C1(C#N)CCCC1)[*:1]
Cc1ccccc1N1CCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CC1 Cc1ccccc1[*:1] O=C(N1CCN(CC1)[*:1])[C@@]12CC[C@@H](C[C@@H]1Br)C2
CCC(CC)CNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCC(CC)CNC(=O)N[C@H]1CCC[C@H](C1)[*:1]
CCC(CC)CNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CCC(CC)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)NC[*:1]
CCC(CC)CNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CCC(CC)C[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)N[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 c1ccc(nc1)[*:1] C[C@@H](N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 C[C@@H](c1ccccn1)[*:1] CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)c1cc(cc(c1)[*:1])C(F)(F)F
CCCC[NH+]1CCC(NC(=O)C2CC=CC2)CC1 CCC[*:1] O=C(NC1CC[NH+](CC1)C[*:1])C1CC=CC1
CCCC[NH+]1CCC(NC(=O)C2CC=CC2)CC1 CCCC[*:1] O=C(NC1CC[NH+](CC1)[*:1])C1CC=CC1
CCOC(=O)[C@@](NC(=O)Nc1cccc(C)n1)(OC)C(F)(F)F Cc1cccc(n1)[*:1] CCOC(=O)[C@@](NC(=O)N[*:1])(OC)C(F)(F)F
CCOC(=O)[C@@](NC(=O)Nc1cccc(C)n1)(OC)C(F)(F)F CCOC(=O)[*:1] CO[C@](NC(=O)Nc1cccc(C)n1)(C(F)(F)F)[*:1]
CCOC(=O)[C@@](NC(=O)Nc1cccc(C)n1)(OC)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@@](NC(=O)Nc1cccc(C)n1)(OC)[*:1]
COc1ncccc1CNC(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 COc1ncccc1[*:1] O=C(NC[*:1])N[C@@H]1C[C@H]2CCCc3cccc1c32
CC[C@H](CC[NH3+])N1CCCN(CC(F)(F)F)CC1 [NH3+]CC[*:1] CC[C@H](N1CCCN(CC1)CC(F)(F)F)[*:1]
CC[C@H](CC[NH3+])N1CCCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] CC[C@H](CC[NH3+])N1CCCN(CC1)C[*:1]
CC[C@H](CC[NH3+])N1CCCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] CC[C@H](CC[NH3+])N1CCCN(CC1)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc1 c1csc(c1)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)[C@@H](NC(=O)[*:1])C(C)C
CCS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc1 CCS(=O)(=O)[*:1] CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc1 CC(C)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)[C@@H](NC(=O)c1cccs1)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc1 O=C(N[*:1])c1cccs1 CCS(=O)(=O)c1ccc(cc1)NC(=O)[C@@H](C(C)C)[*:1]
Cn1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 O=C([O-])C[*:1] Cn1ccc(c1)S(=O)(=O)N1CCO[C@H](C1)[*:1]
Cn1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 O=C([O-])[*:1] Cn1ccc(c1)S(=O)(=O)N1CCO[C@@H](C1)C[*:1]
Cn1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 Cn1ccc(c1)[*:1] O=C([O-])C[C@@H]1CN(CCO1)S(=O)(=O)[*:1]
C[C@H]1C(=O)N(c2ccccc2Cl)CCN1C(=O)C1CC1 C1CC1[*:1] C[C@H]1C(=O)N(CCN1C(=O)[*:1])c1ccccc1Cl
CC(C)(C)CS(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@@H]1Cc2[nH]cnc2CN1S(=O)(=O)C[*:1]
CC(C)(C)CS(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)CS(=O)(=O)N1Cc2nc[nH]c2C[C@@H]1[*:1]
CC(C)(C)CS(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] CC(C)(C)C[*:1] O=C([O-])[C@@H]1Cc2[nH]cnc2CN1S(=O)(=O)[*:1]
CC(=O)CN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C CC(=O)C[*:1] CC1=NN(c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C)[*:1]
CC(=O)CN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C CC(=O)[*:1] CC1=NN(C[*:1])c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C
CCc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 CCc1ccc(cc1)[*:1] O=C(N[C@@H](CO)[*:1])[C@H]1C[C@@H]1c1ccc(F)cc1
CCc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@H](CO)NC(=O)[C@H]1C[C@H]1[*:1]
O=C(NCCC1CC1)c1c(O)cc(F)cc1F C1CC1CC[*:1] O=C(N[*:1])c1c(O)cc(F)cc1F
O=C(NCCC1CC1)c1c(O)cc(F)cc1F C1CC1[*:1] O=C(NCC[*:1])c1c(O)cc(F)cc1F
O=C(NCCC1CC1)c1c(O)cc(F)cc1F C1CC1C[*:1] O=C(NC[*:1])c1c(O)cc(F)cc1F
Cc1[nH+]ccn1CCCCNc1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] Cc1[nH+]ccn1CCCCNc1ccc(cn1)[*:1]
CCSCC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)CN2CC CCSC[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[C@@H](C)C[*:1]
CCSCC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)CN2CC CCS[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[C@@H](C)CC[*:1]
CCSCC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)CN2CC CCSCC[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[C@@H](C)[*:1]
CCSCC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)CN2CC CCSCC[C@H](C)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[*:1]
CC[C@H](C)N1CCN(C(=O)CC(=O)[O-])CC1 O=C([O-])C[*:1] CC[C@H](C)N1CCN(CC1)C(=O)[*:1]
CC[C@H](C)N1CCN(C(=O)CC(=O)[O-])CC1 O=C([O-])[*:1] CC[C@H](C)N1CCN(CC1)C(=O)C[*:1]
CC[C@H](C)N1CCN(C(=O)CC(=O)[O-])CC1 CC[C@H](C)[*:1] O=C([O-])CC(=O)N1CCN(CC1)[*:1]
CCCCN(C)C(=O)Cn1c(-c2ccccc2F)nc2ccccc21 CCCC[*:1] CN(C(=O)Cn1c(nc2ccccc21)-c1ccccc1F)[*:1]
CCCCN(C)C(=O)Cn1c(-c2ccccc2F)nc2ccccc21 CCCCN(C)C(=O)[*:1] Fc1ccccc1-c1nc2ccccc2n1C[*:1]
CCCCN(C)C(=O)Cn1c(-c2ccccc2F)nc2ccccc21 Fc1ccccc1[*:1] CCCCN(C)C(=O)Cn1c(nc2ccccc21)[*:1]
CCCCN(C)C(=O)Cn1c(-c2ccccc2F)nc2ccccc21 CCC[*:1] CN(C[*:1])C(=O)Cn1c(nc2ccccc21)-c1ccccc1F
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1C c1cncc(c1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(n1C)[*:1]
Cc1cccc(/C=C(/F)C(=O)[O-])c1C O=C([O-])[*:1] Cc1cccc(/C=C(/F)[*:1])c1C
CC(C)[C@]1(CC2CCOCC2)CCC[NH2+]1 CC(C)[*:1] C1C[NH2+][C@@](C1)(CC1CCOCC1)[*:1]
COc1ccc([C@H](NS(=O)(=O)c2cccc(C(C)=O)c2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N[C@H](c1ccccc1)[*:1]
COc1ccc([C@H](NS(=O)(=O)c2cccc(C(C)=O)c2)c2ccccc2)cc1 CC(=O)c1cccc(c1)[*:1] COc1ccc(cc1)[C@H](NS(=O)(=O)[*:1])c1ccccc1
COc1ccc([C@H](NS(=O)(=O)c2cccc(C(C)=O)c2)c2ccccc2)cc1 CC(=O)[*:1] COc1ccc(cc1)[C@H](NS(=O)(=O)c1cccc(c1)[*:1])c1ccccc1
COc1ccc([C@H](NS(=O)(=O)c2cccc(C(C)=O)c2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](NS(=O)(=O)c1cccc(c1)C(C)=O)[*:1]
COC(=O)c1ccc(C(=O)NCCc2cc(C)ccc2OC)cn1 COC(=O)[*:1] COc1ccc(C)cc1CCNC(=O)c1ccc(nc1)[*:1]
COc1ccc(OCc2nc(C)no2)c(/C=C/C(=O)[O-])c1 Cc1noc(n1)[*:1] COc1ccc(OC[*:1])c(/C=C/C(=O)[O-])c1
COc1ccc(OCc2nc(C)no2)c(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(OCc2nc(C)no2)c(C=C[*:1])c1
COc1ccc(OCc2nc(C)no2)c(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] COc1ccc(OCc2nc(C)no2)c(c1)[*:1]
COc1ccc(OCc2nc(C)no2)c(/C=C/C(=O)[O-])c1 Cc1noc(C[*:1])n1 COc1ccc(O[*:1])c(/C=C/C(=O)[O-])c1
CCn1nccc1[C@H](F)C(=O)[O-] O=C([O-])[*:1] CCn1nccc1[C@H](F)[*:1]
O=C(NCc1csc(C2CC2)n1)Nc1ccc(C(=O)N2CCCC2)cc1 C1CC1[*:1] O=C(NCc1csc(n1)[*:1])Nc1ccc(cc1)C(=O)N1CCCC1
O=C(NCc1csc(C2CC2)n1)Nc1ccc(C(=O)N2CCCC2)cc1 c1sc(nc1[*:1])C1CC1 O=C(NC[*:1])Nc1ccc(cc1)C(=O)N1CCCC1
O=C(NCc1csc(C2CC2)n1)Nc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] O=C(NCc1csc(n1)C1CC1)Nc1ccc(cc1)[*:1]
COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(C3CC3)nc3ccccc23)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H]1c2nc[nH]c2CCN1C(=O)c1cc(nc2ccccc12)[*:1]
COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(C3CC3)nc3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(c1cc(nc2ccccc12)C1CC1)N1CCc2[nH]cnc2[C@H]1[*:1]
COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)NC(=O)C(=O)N[C@@H]1C[C@@H]1[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 CC(C)[*:1] C[C@H]1CCCC[C@H]1NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 CC(C)NS(=O)(=O)[*:1] C[C@H]1CCCC[C@H]1NC(=O)c1ccc(cc1)[*:1]
CC(C)(C)CCS(=O)(=O)NC[C@@H]1CCCN(c2ncccn2)C1 CC(C)(C)CC[*:1] O=S(=O)(NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CC(C)(C)CCS(=O)(=O)NC[C@@H]1CCCN(c2ncccn2)C1 CC(C)(C)[*:1] O=S(=O)(CC[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
CC(C)(C)CCS(=O)(=O)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CC(C)(C)CCS(=O)(=O)NC[C@@H]1CCCN(C1)[*:1]
CC(C)(C)CCS(=O)(=O)NC[C@@H]1CCCN(c2ncccn2)C1 CC(C)(C)C[*:1] O=S(=O)(C[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
Cn1cc(C(=O)NCC(=O)N2CCCC2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)NCC(=O)N2CCCC2)c(n1)[*:1]
Cn1cc(C(=O)NCC(=O)N2CCCC2)c(-c2ccccc2)n1 O=C(N1CCCC1)[*:1] Cn1cc(C(=O)NC[*:1])c(n1)-c1ccccc1
COc1cccc(NC(=O)CSCCc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CSCC[*:1]
COc1cccc(NC(=O)CSCCc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)CSC[*:1]
Cc1cc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c2ccc(F)cc2n1 C1CC1[*:1] Cc1cc(C(=O)N([C@H]2CCc3ccccc32)[*:1])c2ccc(F)cc2n1
Cc1cc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c2ccc(F)cc2n1 c1ccc2c(c1)CC[C@@H]2[*:1] Cc1cc(C(=O)N(C2CC2)[*:1])c2ccc(F)cc2n1
CC(C)[C@](C)(O)CNC(=O)N[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CC(C)[C@](C)(O)CNC(=O)N[C@@H](C)[*:1]
CC(C)[C@](C)(O)CNC(=O)N[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CC(C)[C@](C)(O)CNC(=O)N[C@@H](C)C[*:1]
CC(C)[C@](C)(O)CNC(=O)N[C@@H](C)CS(C)(=O)=O CC(C)[*:1] C[C@@H](CS(C)(=O)=O)NC(=O)NC[C@](C)(O)[*:1]
CC(C)[C@](C)(O)CNC(=O)N[C@@H](C)CS(C)(=O)=O CC(C)[C@](C)(O)[*:1] C[C@@H](CS(C)(=O)=O)NC(=O)NC[*:1]
C[C@H]1COCCN1c1ccc(Nc2cncc(C(N)=O)n2)cc1 C[C@H]1COCCN1[*:1] NC(=O)c1cncc(n1)Nc1ccc(cc1)[*:1]
C[C@H]1COCCN1c1ccc(Nc2cncc(C(N)=O)n2)cc1 NC(=O)[*:1] C[C@H]1COCCN1c1ccc(cc1)Nc1cncc(n1)[*:1]
CCOc1ccccc1OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 CCO[*:1] O=C(Oc1ccccc1[*:1])c1ccc(cc1)S(=O)(=O)C(F)F
CCOc1ccccc1OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] CCOc1ccccc1OC(=O)c1ccc(cc1)[*:1]
CCOc1ccccc1OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] CCOc1ccccc1OC(=O)c1ccc(cc1)S(=O)(=O)[*:1]
CC/[NH+]=C(/NCC1CCC1)N[C@H]1CCS(=O)(=O)C1 C1CC(C1)[*:1] CC/[NH+]=C(/NC[*:1])N[C@H]1CCS(=O)(=O)C1
CC/[NH+]=C(/NCC1CCC1)N[C@H]1CCS(=O)(=O)C1 C1CC(C1)C[*:1] CC/[NH+]=C(\N[C@H]1CCS(=O)(=O)C1)N[*:1]
COc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 Cc1cnn(c1)[*:1] COc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](C1)[*:1]
COc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 COc1ccccc1[*:1] Cc1cnn(c1)[C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H]1[*:1]
C[C@@H]1CSC(SCc2nc(-c3cccs3)n[nH]2)=N1 c1csc(c1)[*:1] C[C@@H]1CSC(=N1)SCc1nc(n[nH]1)[*:1]
Cc1cnc([C@@H](NC(=O)N[C@H](CCO)c2ccccc2)C2CC2)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)[C@@H](NC(=O)N[C@H](CCO)[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)N[C@H](CCO)c2ccccc2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)N[C@H](CCO)c1ccccc1)[*:1]
Cc1cnc([C@@H](NC(=O)N[C@H](CCO)c2ccccc2)C2CC2)s1 OCC[*:1] Cc1cnc(s1)[C@@H](NC(=O)N[C@H](c1ccccc1)[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)N[C@H](CCO)c2ccccc2)C2CC2)s1 Cc1cnc(s1)[*:1] O=C(N[C@@H](C1CC1)[*:1])N[C@H](CCO)c1ccccc1
O=C(CF)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=C(CF)N[C@H](Sc1ccccc1)[*:1]
O=C(CF)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl O=C(CF)N[*:1] ClC(Cl)(Cl)[C@@H](Sc1ccccc1)[*:1]
OCC1(CSc2nnc(Cc3cccs3)o2)COC1 OCC1(COC1)[*:1] c1csc(c1)Cc1nnc(o1)SC[*:1]
OCC1(CSc2nnc(Cc3cccs3)o2)COC1 c1csc(c1)[*:1] OCC1(COC1)CSc1nnc(C[*:1])o1
OCC1(CSc2nnc(Cc3cccs3)o2)COC1 c1csc(c1)C[*:1] OCC1(COC1)CSc1nnc(o1)[*:1]
CCOC(=O)CCCS(=O)(=O)N1CCCN(C)c2ccc(F)cc21 CCOC(=O)[*:1] CN1CCCN(c2cc(F)ccc21)S(=O)(=O)CCC[*:1]
CCOC(=O)CCCS(=O)(=O)N1CCCN(C)c2ccc(F)cc21 CCOC(=O)CCC[*:1] CN1CCCN(c2cc(F)ccc21)S(=O)(=O)[*:1]
CCOC(=O)CCCS(=O)(=O)N1CCCN(C)c2ccc(F)cc21 CCOC(=O)CC[*:1] CN1CCCN(c2cc(F)ccc21)S(=O)(=O)C[*:1]
CCOC(=O)CCCS(=O)(=O)N1CCCN(C)c2ccc(F)cc21 CCOC(=O)C[*:1] CN1CCCN(c2cc(F)ccc21)S(=O)(=O)CC[*:1]
CCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1C CCCC[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)O[*:1])c1ccccc1C
CCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1C Cc1ccccc1[*:1] CCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1[*:1]
CCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1C CCCCOC(=O)[*:1] CC1Nc2ncnn2[C@@H](C=1[*:1])c1ccccc1C
CCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1C CCC[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)OC[*:1])c1ccccc1C
O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1sccc1S(=O)(=O)NC1CC1 C1CC1[*:1] O=C(NCc1ccc(cc1)C(=O)N1CCCCC1)c1sccc1S(=O)(=O)N[*:1]
O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1sccc1S(=O)(=O)NC1CC1 O=S(=O)(NC1CC1)[*:1] O=C(NCc1ccc(cc1)C(=O)N1CCCCC1)c1sccc1[*:1]
O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1sccc1S(=O)(=O)NC1CC1 O=C(N1CCCCC1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1sccc1S(=O)(=O)NC1CC1
Cc1nc(-c2ccccc2F)sc1CNC(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1nc(sc1CNC(=O)N[*:1])-c1ccccc1F
Cc1nc(-c2ccccc2F)sc1CNC(=O)NC(C)(C)C Fc1ccccc1[*:1] Cc1nc(sc1CNC(=O)NC(C)(C)C)[*:1]
Cc1cc(F)c2c(c1)CCCN2CCCNS(C)(=O)=O CS(=O)(=O)N[*:1] Cc1cc(F)c2c(c1)CCCN2CCC[*:1]
Cc1cc(F)c2c(c1)CCCN2CCCNS(C)(=O)=O CS(=O)(=O)NC[*:1] Cc1cc(F)c2c(c1)CCCN2CC[*:1]
CSc1nc2n(n1)[C@@H](c1sccc1C)[C@H]1C(=O)CCCC1=N2 Cc1ccsc1[*:1] CSc1nc2N=C3CCCC(=O)[C@@H]3[C@H](n2n1)[*:1]
Cc1cccc(CN2c3ccccc3C(=O)/C(=C\Nc3cc(C)cc(C)c3)S2(=O)=O)c1 Cc1cccc(c1)[*:1] Cc1cc(C)cc(c1)N/C=C1\C(=O)c2ccccc2N(C[*:1])S1(=O)=O
Cc1cccc(CN2c3ccccc3C(=O)/C(=C\Nc3cc(C)cc(C)c3)S2(=O)=O)c1 Cc1cc(C)cc(c1)[*:1] Cc1cccc(c1)CN1c2ccccc2C(=O)/C(=C\N[*:1])S1(=O)=O
Cc1cccc(CN2c3ccccc3C(=O)/C(=C\Nc3cc(C)cc(C)c3)S2(=O)=O)c1 Cc1cc(C)cc(c1)N[*:1] Cc1cccc(c1)CN1c2ccccc2C(=O)C(=C[*:1])S1(=O)=O
Cc1cccc(CN2c3ccccc3C(=O)/C(=C\Nc3cc(C)cc(C)c3)S2(=O)=O)c1 Cc1cccc(c1)C[*:1] Cc1cc(C)cc(c1)N/C=C1\C(=O)c2ccccc2N(S1(=O)=O)[*:1]
CC(C)n1ccc(C(=O)NCC2(O)CCSCC2)n1 CC(C)[*:1] O=C(NCC1(O)CCSCC1)c1ccn(n1)[*:1]
Cc1ccc(C(=O)N2CCC(N3CCCC3=O)CC2)cc1[N+](=O)[O-] O=C1CCCN1[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N1CCC(CC1)[*:1]
Cc1ccc(C(=O)N2CCC(N3CCCC3=O)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCC(CC1)N1CCCC1=O
CN(c1ncnc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-])C1CC[NH+](C)CC1 O=[N+]([O-])[*:1] CN(c1ncnc(c1[*:1])N1CCN(CC1)c1cccc[nH+]1)C1CC[NH+](C)CC1
CN(C(=O)CSc1nc2cc(Cl)ccc2o1)C1(C#N)CCCCC1 N#CC1(CCCCC1)[*:1] CN(C(=O)CSc1nc2cc(Cl)ccc2o1)[*:1]
O=C(C1CCC1)N1CCC[C@@H](c2ccnc3nccn23)C1 C1CC(C1)[*:1] O=C(N1CCC[C@H](C1)c1ccnc2nccn12)[*:1]
Cc1ccccc1C[S@](=O)CCCc1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1C[S@](=O)CCC[*:1]
CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)[N-][*:1]
CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1F CCOC(=O)[*:1] CC1=NC(C)=C([C@@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1F)[*:1]
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2csc(C)n2)cc1 COC(=O)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)N[C@H]1CCC[C@H]1[*:1]
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2csc(C)n2)cc1 Cc1nc(cs1)[*:1] COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(cc1)[*:1]
CN(C(=O)c1ccn(-c2ccccc2F)n1)C1(C#N)CCC1 Fc1ccccc1[*:1] CN(C(=O)c1ccn(n1)[*:1])C1(C#N)CCC1
CN(C(=O)c1ccn(-c2ccccc2F)n1)C1(C#N)CCC1 N#CC1(CCC1)[*:1] CN(C(=O)c1ccn(n1)-c1ccccc1F)[*:1]
Cc1ocnc1CNC(=O)N[C@H]1CCN(C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ocnc1CNC(=O)N[C@H]1CCN(C1)C(=O)[*:1]
Cc1ocnc1CNC(=O)N[C@H]1CCN(C(=O)c2ccccc2)C1 Cc1ocnc1[*:1] O=C(NC[*:1])N[C@H]1CCN(C1)C(=O)c1ccccc1
Cc1ocnc1CNC(=O)N[C@H]1CCN(C(=O)c2ccccc2)C1 Cc1ocnc1C[*:1] O=C(N[C@H]1CCN(C1)C(=O)c1ccccc1)N[*:1]
O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCO)Cc1ccccc1 O=[N+]([O-])[*:1] O=C(c1ccn(n1)-c1cccc(c1)[*:1])N(CCO)Cc1ccccc1
O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCO)Cc1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(c1ccn(n1)[*:1])N(CCO)Cc1ccccc1
O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1ccn(n1)-c1cccc(c1)[N+](=O)[O-])N(CCO)[*:1]
O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCO)Cc1ccccc1 OCC[*:1] O=C(c1ccn(n1)-c1cccc(c1)[N+](=O)[O-])N(Cc1ccccc1)[*:1]
O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccn(n1)-c1cccc(c1)[N+](=O)[O-])N(CCO)C[*:1]
COc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)n[nH]3)CC2)cc1OC Cc1ccc(cc1C)[*:1] COc1ccc(cc1OC)C(=O)N1CCN(CC1)C(=O)c1cc(n[nH]1)[*:1]
COc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)n[nH]3)CC2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1C)-c1cc([nH]n1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1cc(S(=O)(=O)CCC(C)C)cc(C(=O)[O-])c1OC CC(C)C[*:1] COc1cc(cc(C(=O)[O-])c1OC)S(=O)(=O)C[*:1]
COc1cc(S(=O)(=O)CCC(C)C)cc(C(=O)[O-])c1OC CC(C)CC[*:1] COc1cc(cc(C(=O)[O-])c1OC)S(=O)(=O)[*:1]
COc1cc(S(=O)(=O)CCC(C)C)cc(C(=O)[O-])c1OC CC(C)[*:1] COc1cc(cc(C(=O)[O-])c1OC)S(=O)(=O)CC[*:1]
COc1cc(S(=O)(=O)CCC(C)C)cc(C(=O)[O-])c1OC O=C([O-])[*:1] COc1cc(cc(c1OC)[*:1])S(=O)(=O)CCC(C)C
CC(C)n1ncc2cc(NC(=O)CCc3ccccc3)cnc21 CC(C)[*:1] O=C(CCc1ccccc1)Nc1cnc2c(cnn2[*:1])c1
CC(C)n1ncc2cc(NC(=O)CCc3ccccc3)cnc21 c1ccc(cc1)[*:1] CC(C)n1ncc2cc(cnc21)NC(=O)CC[*:1]
CC(C)n1ncc2cc(NC(=O)CCc3ccccc3)cnc21 c1ccc(cc1)C[*:1] CC(C)n1ncc2cc(cnc21)NC(=O)C[*:1]
CCOC(=O)c1cc(C)sc1NC(=O)Cn1c(=O)oc2ccccc21 CCOC(=O)[*:1] Cc1cc(c(NC(=O)Cn2c(=O)oc3ccccc32)s1)[*:1]
C[NH2+]CC[C@@H](Sc1ccccn1)c1ccccc1 c1ccc(cc1)[*:1] C[NH2+]CC[C@@H](Sc1ccccn1)[*:1]
C[NH2+]CC[C@@H](Sc1ccccn1)c1ccccc1 c1ccc(nc1)[*:1] C[NH2+]CC[C@@H](S[*:1])c1ccccc1
CC[C@](C)(NC(=O)[C@](C)(N)c1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CC[C@](C)(NC(=O)[C@](C)(N)[*:1])C(=O)[O-]
CC[C@](C)(NC(=O)[C@](C)(N)c1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)[C@](C)(N)c1ccccc1)[*:1]
Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1cccc(N3C(=O)CCC3=O)c1)n2C O=C1CCC(=O)N1[*:1] Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1cccc(c1)[*:1])n2C
CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 CCC[*:1] C[C@H]1C[C@H]1C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CNC(=O)CCN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 CNC(=O)CC[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)[*:1]
CNC(=O)CCN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 CNC(=O)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C[*:1]
CNC(=O)CCN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 CNC(=O)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)CC[*:1]
O=C(CSc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 FC(F)(F)[*:1] O=C(CSc1cccc(c1)[*:1])N1CCN(CC1)S(=O)(=O)c1cccs1
O=C(CSc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(CSc1cccc(c1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)N1CC[C@H]([NH2+][C@H](C)CCc2ccc3c(c2)OCO3)C1=O CC(C)[*:1] C[C@H](CCc1ccc2OCOc2c1)[NH2+][C@H]1CCN(C1=O)[*:1]
CC(=O)Nc1ccc(/C=C2\Cc3c(O)cccc3C2=O)cc1 CC(=O)N[*:1] O=C1/C(=C/c2ccc(cc2)[*:1])Cc2c(O)cccc21
Cc1nc(S(=O)(=O)NCCOc2ccc(Br)cc2)cn1C Cc1nc(cn1C)[*:1] O=S(=O)(NCCOc1ccc(Br)cc1)[*:1]
Cc1nc(S(=O)(=O)NCCOc2ccc(Br)cc2)cn1C Brc1ccc(cc1)[*:1] Cc1nc(cn1C)S(=O)(=O)NCCO[*:1]
N#CCc1ccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 c1ccc(cc1)O[*:1] N#CCc1ccc(cc1)NC(=O)CNC(=O)c1ccc(cc1)[*:1]
N#CCc1ccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 N#CCc1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(cc1)Oc1ccccc1)N[*:1]
N#CCc1ccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 N#CC[*:1] O=C(CNC(=O)c1ccc(cc1)Oc1ccccc1)Nc1ccc(cc1)[*:1]
N#CCc1ccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] N#CCc1ccc(cc1)NC(=O)CNC(=O)c1ccc(cc1)O[*:1]
CCN(C(=O)C[NH2+]C1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)C[NH2+]C1CCCCC1)[*:1]
CCN(C(=O)C[NH2+]C1CCCCC1)c1ccccc1 C1CCC(CC1)[*:1] CCN(C(=O)C[NH2+][*:1])c1ccccc1
CNC(=O)c1cccc(CNC(=O)Nc2c[nH]nc2-c2ccccn2)c1 CNC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])Nc1c[nH]nc1-c1ccccn1
CNC(=O)c1cccc(CNC(=O)Nc2c[nH]nc2-c2ccccn2)c1 c1ccc(nc1)[*:1] CNC(=O)c1cccc(c1)CNC(=O)Nc1c[nH]nc1[*:1]
CCn1c(=O)n(CC(=O)NCc2ccc(F)c(C)c2)c2ccccc21 Cc1cc(ccc1F)[*:1] CCn1c(=O)n(CC(=O)NC[*:1])c2ccccc21
Cc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1 Cc1ccccc1[*:1] O=C(N[*:1])N1CCN(CC1)Cc1cc(=O)n2nc(sc2n1)-c1ccccc1F
Cc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1 Fc1ccccc1[*:1] Cc1ccccc1NC(=O)N1CCN(CC1)Cc1cc(=O)n2nc(sc2n1)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cnn(C)c2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)OC(=O)c2cnn(C)c2)c(C)c1[*:1]
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cnn(C)c2)c1C Cn1cc(cn1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[*:1])c1C
COc1ccccc1N(C)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 COc1ccccc1[*:1] CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)[*:1]
COc1ccccc1N(C)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COc1ccccc1N(C)CC(=O)NCC(=O)N[*:1]
CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 CC(C)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])C(=O)Nc1ccc(C#N)c(Cl)c1
C[C@H](CCCO)[NH2+]Cc1c(-c2ccccc2)nn(C)c1Cl c1ccc(cc1)[*:1] C[C@H](CCCO)[NH2+]Cc1c(nn(C)c1Cl)[*:1]
C[C@H](CCCO)[NH2+]Cc1c(-c2ccccc2)nn(C)c1Cl OCC[*:1] C[C@H](C[*:1])[NH2+]Cc1c(nn(C)c1Cl)-c1ccccc1
C[C@H](CCCO)[NH2+]Cc1c(-c2ccccc2)nn(C)c1Cl OCCC[*:1] C[C@H]([NH2+]Cc1c(nn(C)c1Cl)-c1ccccc1)[*:1]
CCC(CC)([C@H](O)COC(C)C)[NH+](C)C CC(C)OC[*:1] CCC(CC)([C@H](O)[*:1])[NH+](C)C
CCC(CC)([C@H](O)COC(C)C)[NH+](C)C CC(C)[*:1] CCC(CC)([C@H](O)CO[*:1])[NH+](C)C
CCC(CC)([C@H](O)COC(C)C)[NH+](C)C CC(C)O[*:1] CCC(CC)([C@H](O)C[*:1])[NH+](C)C
CN(CC(=O)NCC(C)(C)c1ccncc1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(CC(=O)NCC(C)(C)c1ccncc1)S(=O)(=O)[*:1]
CN(CC(=O)NCC(C)(C)c1ccncc1)S(=O)(=O)c1ccc(Cl)cc1 c1cc(ccn1)[*:1] CN(CC(=O)NCC(C)(C)[*:1])S(=O)(=O)c1ccc(Cl)cc1
COc1ccc2nc(-c3ccc(Cl)c(NC(=O)NCc4ccccc4)c3)cn2n1 c1ccc(cc1)C[*:1] COc1ccc2nc(cn2n1)-c1ccc(Cl)c(c1)NC(=O)N[*:1]
COc1ccc2nc(-c3ccc(Cl)c(NC(=O)NCc4ccccc4)c3)cn2n1 c1ccc(cc1)[*:1] COc1ccc2nc(cn2n1)-c1ccc(Cl)c(c1)NC(=O)NC[*:1]
COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 COc1ccccc1[*:1] Cc1ccc(O[C@@H](C)C(=O)N2CCN(CC2)[*:1])c(C)c1
COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 Cc1ccc(O[*:1])c(C)c1 COc1ccccc1N1CCN(CC1)C(=O)[C@H](C)[*:1]
COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 Cc1ccc(c(C)c1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)[C@H](C)O[*:1]
COc1ccc(-n2nc(C(=O)N3CCC[C@@H]4CCC[C@H]43)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)N1CCC[C@@H]2CCC[C@H]21
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 Clc1cccc(c1)[*:1] Cc1nc(sc1C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 CCC(=O)N[*:1] O=C(c1ccc(F)cc1)N1CCC[C@@H](C1)c1nc(no1)-c1cccc(c1)[*:1]
CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 Fc1ccc(cc1)[*:1] CCC(=O)Nc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)[C@@H](C[NH+](C)C)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](C[NH+](C)C)[*:1]
CC(C)[C@@H](C[NH+](C)C)C(=O)[O-] CC(C)[*:1] C[NH+](C)C[C@@H](C(=O)[O-])[*:1]
CCN(CC)S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCCC2)C1 C1CCCC(CCC1)[*:1] CCN(CC)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
O=C(NCCCN1CCOCC1)c1nc(-c2cnccn2)no1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])c1nc(no1)-c1cnccn1
O=C(NCCCN1CCOCC1)c1nc(-c2cnccn2)no1 c1cnc(cn1)[*:1] O=C(NCCCN1CCOCC1)c1nc(no1)[*:1]
O=C(NCCCN1CCOCC1)c1nc(-c2cnccn2)no1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])c1nc(no1)-c1cnccn1
CCN(C)C(=O)c1cccc(C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)c1 CCN(C)C(=O)[*:1] C[C@@H]1c2cc3OCCOc3cc2C2(CCCC2)CN1C(=O)c1cccc(c1)[*:1]
Cc1ccnc2c1nc(CCl)n2-c1ccsc1 c1cc(cs1)[*:1] Cc1ccnc2c1nc(CCl)n2[*:1]
C#CC[NH2+]CC(=O)Nc1cccc(-c2nncn2C)c1 Cn1cnnc1[*:1] C#CC[NH2+]CC(=O)Nc1cccc(c1)[*:1]
COc1ccc([C@H](NC(=O)c2ccc3nc(C)sc3c2)c2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1ccc2nc(C)sc2c1)[*:1]
COc1ccc([C@H](NC(=O)c2ccc3nc(C)sc3c2)c2ccncc2)cc1 COc1ccc(cc1)[*:1] Cc1nc2ccc(cc2s1)C(=O)N[C@H](c1ccncc1)[*:1]
N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc(N)nc(n1)[*:1]
N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc(N)nc(Nc2ccccc2)n1 Clc1ccc(cc1)[*:1] N#C[C@@H](C(=O)[*:1])c1nc(N)nc(n1)Nc1ccccc1
N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc(N)nc(n1)N[*:1]
CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCN(C2CC2)C1=O C1CC1[*:1] CCc1nc2[C@H](CCCn2n1)N[C@H]1CCN(C1=O)[*:1]
C[NH+](C)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] C[NH+](C)CCNC(=O)C[C@@H]1C(=O)NCCN1C[*:1]
O=C(NCc1ccccc1F)c1ccc(CN2C(=O)CCC2=O)cc1 Fc1ccccc1[*:1] O=C(NC[*:1])c1ccc(cc1)CN1C(=O)CCC1=O
O=C(NCc1ccccc1F)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1C[*:1] O=C(NCc1ccccc1F)c1ccc(cc1)[*:1]
O=C(NCc1ccccc1F)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] O=C(NCc1ccccc1F)c1ccc(cc1)C[*:1]
O=C(NCc1ccccc1F)c1ccc(CN2C(=O)CCC2=O)cc1 Fc1ccccc1C[*:1] O=C(N[*:1])c1ccc(cc1)CN1C(=O)CCC1=O
Cn1cc(NC(=O)C2(c3ccccc3)CC2)cc1C(N)=O c1ccc(cc1)[*:1] Cn1cc(cc1C(N)=O)NC(=O)C1(CC1)[*:1]
Cn1cc(NC(=O)C2(c3ccccc3)CC2)cc1C(N)=O NC(=O)[*:1] Cn1cc(cc1[*:1])NC(=O)C1(CC1)c1ccccc1
O=C(c1ccc(Br)o1)N1CC[NH+](Cc2ccccc2)CC1 Brc1ccc(o1)[*:1] O=C(N1CC[NH+](CC1)Cc1ccccc1)[*:1]
O=C(c1ccc(Br)o1)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(Br)o1)N1CC[NH+](CC1)C[*:1]
O=C(c1ccc(Br)o1)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(Br)o1)N1CC[NH+](CC1)[*:1]
Cc1cccc(F)c1[C@H](N)C(F)(F)F FC(F)(F)[*:1] Cc1cccc(F)c1[C@H](N)[*:1]
CN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@]1(c2ccccc2Cl)CCCCC1=O CN(C)S(=O)(=O)[*:1] CN(C(=O)c1cccc(c1)[*:1])[C@@]1(CCCCC1=O)c1ccccc1Cl
CN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@]1(c2ccccc2Cl)CCCCC1=O Clc1ccccc1[*:1] CN(C(=O)c1cccc(c1)S(=O)(=O)N(C)C)[C@@]1(CCCCC1=O)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc(OC)cc2Cl)CC1 CCC(CC)[*:1] COc1ccc(NC(=O)NC2CCN(CC2)C(=O)[*:1])c(Cl)c1
C[C@H](CCCO)Nc1[nH+]c2ccccc2n1C OCC[*:1] C[C@H](C[*:1])Nc1[nH+]c2ccccc2n1C
C[C@H](CCCO)Nc1[nH+]c2ccccc2n1C OCCC[*:1] C[C@H](Nc1[nH+]c2ccccc2n1C)[*:1]
Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1NS(=O)(=O)[*:1])C(N)=O
Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2C)cc1 NC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C)[*:1]
CC(C)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2-c2ccccc2)c1 CC(C)C(=O)N[*:1] O=C(COc1cccc(c1)[*:1])Nc1ccccc1-c1ccccc1
CC(C)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2-c2ccccc2)c1 CC(C)[*:1] O=C(COc1cccc(c1)NC(=O)[*:1])Nc1ccccc1-c1ccccc1
CC(C)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2-c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1cccc(c1)OCC(=O)Nc1ccccc1[*:1]
Cc1nc(C)c(C(=O)N2CCc3c(sc(N)c3C#N)C2)o1 Cc1nc(C)c(o1)[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 CC(C)[*:1] O=C(Nc1ccc(Cl)cc1)c1cccc(c1)NC(=O)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 CC(C)C(=O)N[*:1] O=C(Nc1ccc(Cl)cc1)c1cccc(c1)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC(C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)C2CCN(CC(F)(F)F)CC2)C1 FC(F)(F)C[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)C1CCN(CC1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)C2CCN(CC(F)(F)F)CC2)C1 FC(F)(F)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)C1CCN(CC1)C[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)ccc21 CC(C)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[C@@H](C(=O)[O-])[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)ccc21 O=C([O-])[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)[*:1]
C[C@@H]1CCOCCN1c1ccc2nnc(-c3ccccc3)n2n1 c1ccc(cc1)[*:1] C[C@@H]1CCOCCN1c1ccc2nnc(n2n1)[*:1]
CC(=O)O/N=C1\C(=O)N(Cc2ccc(C)cc2)c2ccccc21 Cc1ccc(cc1)[*:1] CC(=O)O/N=C1\C(=O)N(C[*:1])c2ccccc21
COC(=O)c1cccc(C(=O)N2C[C@H](C)S[C@@H](C)C2)n1 COC(=O)[*:1] C[C@H]1CN(C[C@H](C)S1)C(=O)c1cccc(n1)[*:1]
O=S(=O)(Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=S(=O)(Nc1ccc(cc1)-c1ccc(nn1)N1CCCCCC1)[*:1]
O=S(=O)(Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccc(F)cc1F C1CCCN(CC1)[*:1] O=S(=O)(Nc1ccc(cc1)-c1ccc(nn1)[*:1])c1ccc(F)cc1F
Cc1ccc2nc(SCc3nnc(-c4cccs4)o3)[nH]c2c1 c1csc(c1)[*:1] Cc1ccc2nc([nH]c2c1)SCc1nnc(o1)[*:1]
COc1ccc(OCC(=O)N2CC(OCc3ccc(Cl)cc3)C2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)N1CC(C1)OC[*:1]
COc1ccc(OCC(=O)N2CC(OCc3ccc(Cl)cc3)C2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])N1CC(C1)OCc1ccc(Cl)cc1
COc1ccc(OCC(=O)N2CC(OCc3ccc(Cl)cc3)C2)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)OCC(=O)N1CC(C1)O[*:1]
Cc1cnc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)s1 Fc1cccc(c1)[*:1] Cc1cnc(NC(=O)[C@H]2CC(=NO2)[*:1])s1
Cc1cnc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)s1 Cc1cnc(s1)[*:1] O=C(N[*:1])[C@H]1CC(=NO1)c1cccc(F)c1
C#CCN1C(=O)N=C(N)[C@]12CCC[C@@H](C(C)(C)C)CC2 C#CC[*:1] CC(C)(C)[C@@H]1CCC[C@@]2(CC1)C(N)=NC(=O)N2[*:1]
C#CCN1C(=O)N=C(N)[C@]12CCC[C@@H](C(C)(C)C)CC2 CC(C)(C)[*:1] C#CCN1C(=O)N=C(N)[C@]12CCC[C@@H](CC2)[*:1]
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c[nH]1 O=C([O-])[*:1] O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1c[nH]c(c1)[*:1]
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c[nH]1 O=C([O-])[*:1] O=C([O-])c1cc(c[nH]1)S(=O)(=O)[N-]c1ccc(F)cc1[*:1]
CC(C)S(=O)(=O)c1cc2c(cc1NC(=O)CCC1CCCC1)n(C)c(=O)n2C CC(C)S(=O)(=O)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)CCC1CCCC1)[*:1]
CC(C)S(=O)(=O)c1cc2c(cc1NC(=O)CCC1CCCC1)n(C)c(=O)n2C CC(C)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)CCC1CCCC1)S(=O)(=O)[*:1]
CC(C)S(=O)(=O)c1cc2c(cc1NC(=O)CCC1CCCC1)n(C)c(=O)n2C C1CCC(C1)[*:1] CC(C)S(=O)(=O)c1cc2c(cc1NC(=O)CC[*:1])n(C)c(=O)n2C
CC(C)S(=O)(=O)c1cc2c(cc1NC(=O)CCC1CCCC1)n(C)c(=O)n2C C1CCC(C1)CC[*:1] CC(C)S(=O)(=O)c1cc2c(cc1NC(=O)[*:1])n(C)c(=O)n2C
CC(C)S(=O)(=O)c1cc2c(cc1NC(=O)CCC1CCCC1)n(C)c(=O)n2C C1CCC(C1)C[*:1] CC(C)S(=O)(=O)c1cc2c(cc1NC(=O)C[*:1])n(C)c(=O)n2C
CC(C)CC1([C@@H]([NH3+])Cc2c(F)cccc2F)CCCC1 CC(C)[*:1] [NH3+][C@@H](Cc1c(F)cccc1F)C1(CCCC1)C[*:1]
CC(C)CC1([C@@H]([NH3+])Cc2c(F)cccc2F)CCCC1 CC(C)C[*:1] [NH3+][C@@H](Cc1c(F)cccc1F)C1(CCCC1)[*:1]
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC[C@@H]1C(N)=O CC(C)[*:1] NC(=O)[C@H]1CCCN1C(=O)Nc1cc(nn1[*:1])-c1ccccc1
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC[C@@H]1C(N)=O c1ccc(cc1)[*:1] CC(C)n1nc(cc1NC(=O)N1CCC[C@@H]1C(N)=O)[*:1]
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCC[C@@H]1C(N)=O NC(=O)[*:1] CC(C)n1nc(cc1NC(=O)N1CCC[C@H]1[*:1])-c1ccccc1
CC(C)OC(=O)[C@H](C)CNC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CC(C)[*:1] C[C@H](CNC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)C(=O)O[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CC(C)OC(=O)[*:1] C[C@H](CNC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](C)[C@](OO)(C(C)=O)[C@@]4(C)CC[C@H]32)C1 CC(=O)[*:1] CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](C)[C@](OO)([C@@]4(C)CC[C@H]32)[*:1])C1
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](C)[C@](OO)(C(C)=O)[C@@]4(C)CC[C@H]32)C1 CC(=O)O[*:1] CC(=O)[C@@]1(OO)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@@H]3CC[C@@]21C)[*:1]
O=C(COc1ccc(I)cc1)NC[C@@H]1COc2ccccc2O1 Ic1ccc(cc1)[*:1] O=C(CO[*:1])NC[C@@H]1COc2ccccc2O1
CC[C@@H](C)NC(=O)[C@@H](C)Sc1ncc(-c2ccc3c(c2)OCCO3)n1CC CC[C@@H](C)[*:1] CCn1c(cnc1S[C@H](C)C(=O)N[*:1])-c1ccc2OCCOc2c1
CC[C@@H](C)NC(=O)[C@@H](C)Sc1ncc(-c2ccc3c(c2)OCCO3)n1CC CC[C@@H](C)NC(=O)[*:1] CCn1c(cnc1S[C@H](C)[*:1])-c1ccc2OCCOc2c1
Cc1csc([C@@H](C)NC(=O)CCOc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)CCO[*:1]
Cc1csc([C@@H](C)NC(=O)CCOc2ccccc2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)CCOc1ccccc1)[*:1]
COc1cccc(-c2cc(C(=O)N(CC(F)(F)F)C3CCOCC3)[nH]n2)c1 COc1cccc(c1)[*:1] O=C(c1cc(n[nH]1)[*:1])N(CC(F)(F)F)C1CCOCC1
COc1cccc(-c2cc(C(=O)N(CC(F)(F)F)C3CCOCC3)[nH]n2)c1 FC(F)(F)C[*:1] COc1cccc(c1)-c1cc([nH]n1)C(=O)N(C1CCOCC1)[*:1]
COc1cccc(-c2cc(C(=O)N(CC(F)(F)F)C3CCOCC3)[nH]n2)c1 FC(F)(F)[*:1] COc1cccc(c1)-c1cc([nH]n1)C(=O)N(C[*:1])C1CCOCC1
COc1cccc(-c2cc(C(=O)N(CC(F)(F)F)C3CCOCC3)[nH]n2)c1 C1CC(CCO1)[*:1] COc1cccc(c1)-c1cc([nH]n1)C(=O)N(CC(F)(F)F)[*:1]
CCn1ccnc(NCCN(C)C(=O)OC(C)(C)C)c1=O CC(C)(C)[*:1] CCn1ccnc(NCCN(C)C(=O)O[*:1])c1=O
COc1cc2c3cnn(CN4CCN(c5ccccc5OC)CC4)c(=O)c3n(C)c2cc1OC COc1ccccc1[*:1] COc1cc2c3cnn(CN4CCN(CC4)[*:1])c(=O)c3n(C)c2cc1OC
Cc1ccc(C(=O)NCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NCCNC(=O)c1ccc(C)c(c1)[*:1]
COC(=O)N1CCN(Cc2cccc(-c3ccccn3)c2)CC1 c1ccc(nc1)[*:1] COC(=O)N1CCN(CC1)Cc1cccc(c1)[*:1]
CO[C@H](CN[C@@H](c1cccs1)C1CC1)c1ccccc1 C1CC1[*:1] CO[C@H](CN[C@@H](c1cccs1)[*:1])c1ccccc1
CO[C@H](CN[C@@H](c1cccs1)C1CC1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](CN[C@@H](c1cccs1)C1CC1)[*:1]
CO[C@H](CN[C@@H](c1cccs1)C1CC1)c1ccccc1 c1csc(c1)[*:1] CO[C@H](CN[C@@H](C1CC1)[*:1])c1ccccc1
CC(C)C[C@H](NC(=O)c1csc2ncccc2c1=O)C(=O)N1CCc2ccccc21 CC(C)[*:1] O=C(N[C@@H](C[*:1])C(=O)N1CCc2ccccc21)c1csc2ncccc2c1=O
CC(C)C[C@H](NC(=O)c1csc2ncccc2c1=O)C(=O)N1CCc2ccccc21 CC(C)C[*:1] O=C(N[C@H](C(=O)N1CCc2ccccc21)[*:1])c1csc2ncccc2c1=O
C[NH+]1CCC(C[NH+](C)C2CCC(c3ccc(O)cc3)CC2)CC1 Oc1ccc(cc1)[*:1] C[NH+]1CCC(CC1)C[NH+](C)C1CCC(CC1)[*:1]
COc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn23)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)-c1nnc2sc(nn12)[*:1]
Cn1c(CNC(=O)c2cccc(C(F)(F)F)c2)nc2ccccc21 FC(F)(F)[*:1] Cn1c(CNC(=O)c2cccc(c2)[*:1])nc2ccccc21
COc1ncnc2c1nc([C@@H](C)Cl)n2[C@H](C)C(N)=O C[C@H](C(N)=O)[*:1] COc1ncnc2c1nc([C@@H](C)Cl)n2[*:1]
COc1ncnc2c1nc([C@@H](C)Cl)n2[C@H](C)C(N)=O C[C@@H](Cl)[*:1] COc1ncnc2c1nc(n2[C@H](C)C(N)=O)[*:1]
COc1ncnc2c1nc([C@@H](C)Cl)n2[C@H](C)C(N)=O NC(=O)[*:1] COc1ncnc2c1nc([C@@H](C)Cl)n2[C@H](C)[*:1]
C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)C=C1CCSCC1 Fc1ccc(cc1)[*:1] C[C@@H](CC(=O)[*:1])NC(=O)C=C1CCSCC1
O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1F c1cc(cs1)[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccccc1F
O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cc1csc(n1)-c1ccsc1)N[*:1]
CSCC(=O)NNC(=O)c1c(O)cc(Cl)cc1Cl CSC[*:1] O=C(NNC(=O)[*:1])c1c(O)cc(Cl)cc1Cl
CCC[NH2+][C@@H](COC)[C@H]1CN(C(C)C)CCO1 CC(C)[*:1] CCC[NH2+][C@@H](COC)[C@H]1CN(CCO1)[*:1]
CCC[NH2+][C@@H](COC)[C@H]1CN(C(C)C)CCO1 COC[*:1] CCC[NH2+][C@@H]([C@H]1CN(CCO1)C(C)C)[*:1]
CCC[NH2+][C@@H](COC)[C@H]1CN(C(C)C)CCO1 CCC[*:1] COC[C@H]([NH2+][*:1])[C@H]1CN(CCO1)C(C)C
C[C@H](CCc1ccc(F)c(F)c1)NC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] C[C@H](CCc1ccc(F)c(F)c1)NC(=O)C[*:1]
C[C@H](CCc1ccc(F)c(F)c1)NC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] C[C@H](CCc1ccc(F)c(F)c1)NC(=O)[*:1]
CN(C(=O)CNc1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CNc1ccc(Cl)cc1)[*:1]
CC1=NN(c2ccccc2)C(=O)C1(N1CCOCC1)N1CCOCC1 c1ccc(cc1)[*:1] CC1=NN(C(=O)C1(N1CCOCC1)N1CCOCC1)[*:1]
CC1=NN(c2ccccc2)C(=O)C1(N1CCOCC1)N1CCOCC1 C1CN(CCO1)[*:1] CC1=NN(C(=O)C1(N1CCOCC1)[*:1])c1ccccc1
COc1ccc(NC(=O)/C=C/C2CC2)c(C)c1 C(=C[*:1])C1CC1 COc1ccc(NC(=O)[*:1])c(C)c1
COc1ccc(NC(=O)/C=C/C2CC2)c(C)c1 C1CC1[*:1] COc1ccc(NC(=O)C=C[*:1])c(C)c1
O=C(CCCn1cncn1)N1CCC[C@@H](N2CCNC2=O)C1 c1ncn(C[*:1])n1 O=C(CC[*:1])N1CCC[C@H](C1)N1CCNC1=O
O=C(CCCn1cncn1)N1CCC[C@@H](N2CCNC2=O)C1 c1ncn(n1)[*:1] O=C(CCC[*:1])N1CCC[C@H](C1)N1CCNC1=O
O=C(CCCn1cncn1)N1CCC[C@@H](N2CCNC2=O)C1 O=C1NCCN1[*:1] O=C(CCCn1cncn1)N1CCC[C@@H](C1)[*:1]
O=C(CCCn1cncn1)N1CCC[C@@H](N2CCNC2=O)C1 c1ncn(CC[*:1])n1 O=C(C[*:1])N1CCC[C@H](C1)N1CCNC1=O
Cc1cc(C)n2nc(CC(=O)NCc3nc(C)c(C)s3)nc2n1 Cc1nc(sc1C)[*:1] Cc1cc(C)n2nc(CC(=O)NC[*:1])nc2n1
CC(=O)Nc1c(C)cc(NC(=O)N[C@@H](C)[C@H](C)CO)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)N[C@@H](C)[C@H](C)CO
CC(=O)Nc1c(C)cc(NC(=O)N[C@@H](C)[C@H](C)CO)cc1C C[C@H](CO)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N[C@@H](C)[*:1]
O=C(Nc1nccs1)[C@H]1CCCN(C(=O)c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(Nc1nccs1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1nccs1)[C@H]1CCCN(C(=O)c2ccccc2F)C1 c1csc(n1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccccc1F
O=C1C[C@H](C(=O)N2CCC[C@H]2c2cccs2)CN1Cc1ccco1 c1coc(c1)C[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC[C@H]1c1cccs1
O=C1C[C@H](C(=O)N2CCC[C@H]2c2cccs2)CN1Cc1ccco1 c1csc(c1)[*:1] O=C1C[C@@H](CN1Cc1ccco1)C(=O)N1CCC[C@@H]1[*:1]
O=C1C[C@H](C(=O)N2CCC[C@H]2c2cccs2)CN1Cc1ccco1 c1coc(c1)[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1CCC[C@H]1c1cccs1
COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ncnc2sc3c(c12)CCNC3 COC(=O)[*:1] Oc1ccc(cc1)C[C@H](Nc1ncnc2sc3CNCCc3c12)[*:1]
COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ncnc2sc3c(c12)CCNC3 Oc1ccc(cc1)C[*:1] COC(=O)[C@H](Nc1ncnc2sc3CNCCc3c12)[*:1]
COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ncnc2sc3c(c12)CCNC3 Oc1ccc(cc1)[*:1] COC(=O)[C@H](C[*:1])Nc1ncnc2sc3CNCCc3c12
NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1ccccc1)S2(=O)=O NC(=O)CS[*:1] O=S1(=O)c2cnc(nc2-c2ccccc2N1Cc1ccccc1)[*:1]
NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1ccccc1)S2(=O)=O NC(=O)C[*:1] O=S1(=O)c2cnc(nc2-c2ccccc2N1Cc1ccccc1)S[*:1]
NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1ccccc1)S2(=O)=O NC(=O)[*:1] O=S1(=O)c2cnc(nc2-c2ccccc2N1Cc1ccccc1)SC[*:1]
NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1ccccc1)S2(=O)=O c1ccc(cc1)C[*:1] NC(=O)CSc1ncc2c(n1)-c1ccccc1N(S2(=O)=O)[*:1]
NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1ccccc1)S2(=O)=O c1ccc(cc1)[*:1] NC(=O)CSc1ncc2c(n1)-c1ccccc1N(C[*:1])S2(=O)=O
C#CCCCCNC(=O)[C@H]1COc2ccc(F)cc2C1 C#CCCCC[*:1] O=C(N[*:1])[C@H]1COc2ccc(F)cc2C1
C#CCCCCNC(=O)[C@H]1COc2ccc(F)cc2C1 C#CCC[*:1] O=C(NCC[*:1])[C@H]1COc2ccc(F)cc2C1
C#CCCCCNC(=O)[C@H]1COc2ccc(F)cc2C1 C#CC[*:1] O=C(NCCC[*:1])[C@H]1COc2ccc(F)cc2C1
C#CCCCCNC(=O)[C@H]1COc2ccc(F)cc2C1 C#CCCC[*:1] O=C(NC[*:1])[C@H]1COc2ccc(F)cc2C1
COc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)ccc1C Fc1ccc(cc1)[*:1] COc1cc(ccc1C)C(=O)N1CCN(CC1)C[*:1]
COc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)ccc1C Fc1ccc(cc1)C[*:1] COc1cc(ccc1C)C(=O)N1CCN(CC1)[*:1]
CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)C(C)C)ccc21 CC(C)[*:1] CCCn1c(C[NH+]2CCCCCC2)nc2cc(ccc21)NC(=O)[*:1]
CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)C(C)C)ccc21 CC(C)C(=O)N[*:1] CCCn1c(C[NH+]2CCCCCC2)nc2cc(ccc21)[*:1]
CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)C(C)C)ccc21 CCC[*:1] CC(C)C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2[*:1]
CCNC(=O)c1cccc(NC(=O)NNc2ccc(Cl)nn2)c1 CCNC(=O)[*:1] O=C(NNc1ccc(Cl)nn1)Nc1cccc(c1)[*:1]
CCNC(=O)c1cccc(NC(=O)NNc2ccc(Cl)nn2)c1 Clc1ccc(nn1)[*:1] CCNC(=O)c1cccc(c1)NC(=O)NN[*:1]
CC1(C)CCC[C@@H]1Nc1ccc(C(N)=O)cc1N NC(=O)[*:1] CC1(C)CCC[C@@H]1Nc1ccc(cc1N)[*:1]
CC[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)NCc1ccc(o1)C(=O)[O-])[*:1]
CC[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 O=C([O-])[*:1] CC[C@H](C(=O)NCc1ccc(o1)[*:1])c1ccccc1
COC1CCN(C(=O)NCc2ccnc(OC3CCC3)c2)CC1 C1CC(C1)O[*:1] COC1CCN(CC1)C(=O)NCc1ccnc(c1)[*:1]
COC1CCN(C(=O)NCc2ccnc(OC3CCC3)c2)CC1 C1CC(C1)[*:1] COC1CCN(CC1)C(=O)NCc1ccnc(c1)O[*:1]
COc1cc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc(OC)c1 Clc1ccc(nc1)[*:1] COc1cc(cc(c1)OC)N[C@H](C)C(=O)N[*:1]
O=C(CNc1ccccc1Cl)N/N=C/c1c[nH]c2ccccc12 Clc1ccccc1[*:1] O=C(CN[*:1])N/N=C/c1c[nH]c2ccccc12
C[C@@H](c1ccccc1F)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 Fc1ccccc1[*:1] C[C@@H](S(=O)(=O)Cc1cccc(c1)C(F)(F)F)[*:1]
C[C@@H](c1ccccc1F)S(=O)(=O)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](c1ccccc1F)S(=O)(=O)Cc1cccc(c1)[*:1]
Cc1cc([C@H](C)NC(=O)C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@@H](C)[*:1])NC(=O)C1CC1
Cc1cc([C@H](C)NC(=O)C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c(C)o1 O=C(N[*:1])C1CC1 Cc1cc(c(C)o1)[C@H](C)NC(=O)C(=O)Nc1cc(ccc1C)[*:1]
Cc1cc([C@H](C)NC(=O)C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c(C)o1 C1CC1[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)C(=O)Nc1cc(ccc1C)NC(=O)[*:1]
COC(=O)Cc1ccc(S(=O)(=O)N(C)[C@H]2CCC[C@H](C)C2)s1 COC(=O)[*:1] C[C@H]1CCC[C@@H](C1)N(C)S(=O)(=O)c1ccc(C[*:1])s1
COC(=O)Cc1ccc(S(=O)(=O)N(C)[C@H]2CCC[C@H](C)C2)s1 COC(=O)C[*:1] C[C@H]1CCC[C@@H](C1)N(C)S(=O)(=O)c1ccc(s1)[*:1]
O=C(COc1ccccn1)NCc1ccc(F)cc1 c1ccc(nc1)[*:1] O=C(CO[*:1])NCc1ccc(F)cc1
C[C@H]1CN(S(=O)(=O)CC[NH2+]Cc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)CC[NH2+]Cc1ccc(cc1)[*:1]
CC1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)c1ncnc2sc(cc12)[*:1]
CC1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 CC1CCN(CC1)[*:1] c1ccc(cc1)-c1cc2c(ncnc2s1)[*:1]
C[C@H](SC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2)CC1 CC(C)(C)[*:1] C[C@H](S[*:1])C(=O)N1CCN(CC1)c1ccc(F)cc1
C[C@H](SC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H](SC(C)(C)C)C(=O)N1CCN(CC1)[*:1]
C[C@H](SC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2)CC1 CC(C)(C)S[*:1] C[C@H](C(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1]
C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1 c1ccc(cc1)O[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C[*:1]
C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)CO[*:1]
C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1 c1ccc(cc1)OC[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC(C)C[C@@H]1C(=N)NC(=O)N1CC1CC1 CC(C)C[*:1] N=C1NC(=O)N(CC2CC2)[C@@H]1[*:1]
CC(C)C[C@@H]1C(=N)NC(=O)N1CC1CC1 CC(C)[*:1] N=C1NC(=O)N(CC2CC2)[C@@H]1C[*:1]
CC(C)C[C@@H]1C(=N)NC(=O)N1CC1CC1 C1CC1[*:1] CC(C)C[C@@H]1C(=N)NC(=O)N1C[*:1]
CC(C)C[C@@H]1C(=N)NC(=O)N1CC1CC1 C1CC1C[*:1] CC(C)C[C@@H]1C(=N)NC(=O)N1[*:1]
C[C@H](CCC[NH3+])NS(=O)(=O)C1CCS(=O)(=O)CC1 [NH3+]CC[*:1] C[C@H](C[*:1])NS(=O)(=O)C1CCS(=O)(=O)CC1
C[C@H](CCC[NH3+])NS(=O)(=O)C1CCS(=O)(=O)CC1 [NH3+]CCC[*:1] C[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)[*:1]
O=C(NCc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(NCc1cccc(Cl)c1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 Clc1cccc(c1)[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
O=C(NCc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 Clc1cccc(c1)C[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cnc(s1)[*:1]
COc1ccc(NC(=O)NCC(=O)[O-])cc1Cl O=C([O-])C[*:1] COc1ccc(cc1Cl)NC(=O)N[*:1]
COc1ccc(NC(=O)NCC(=O)[O-])cc1Cl O=C([O-])[*:1] COc1ccc(cc1Cl)NC(=O)NC[*:1]
Cc1nccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)[nH]n3)C2)n1 FC(F)(F)[*:1] Cc1nccc(n1)C(=O)N1CCC[C@H](C1)c1cc([nH]n1)[*:1]
Cc1nccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)[nH]n3)C2)n1 Cc1nccc(n1)[*:1] O=C(N1CCC[C@H](C1)c1cc([nH]n1)C(F)(F)F)[*:1]
CCC[C@H]1CN(C(=O)Nc2cccc(S(C)(=O)=O)c2C)CCO1 CS(=O)(=O)[*:1] CCC[C@H]1CN(CCO1)C(=O)Nc1cccc(c1C)[*:1]
CCC[C@H]1CN(C(=O)Nc2cccc(S(C)(=O)=O)c2C)CCO1 CCC[*:1] Cc1c(cccc1S(C)(=O)=O)NC(=O)N1CCO[C@H](C1)[*:1]
CC[C@@H](Nc1cc(Cl)nc(C)n1)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H](Nc1cc(Cl)nc(C)n1)[*:1]
Cc1ccc(CNC(=O)CSc2ccc(-c3cccs3)nn2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1ccc(nn1)-c1cccs1)NC[*:1]
Cc1ccc(CNC(=O)CSc2ccc(-c3cccs3)nn2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)CNC(=O)CSc1ccc(nn1)[*:1]
Cc1ccc(CNC(=O)CSc2ccc(-c3cccs3)nn2)cc1 Cc1ccc(cc1)C[*:1] O=C(CSc1ccc(nn1)-c1cccs1)N[*:1]
O=C(Cc1csc(-c2ccoc2)n1)N[C@H](c1ccccc1)C1CCC1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1ccoc1)N[C@H](C1CCC1)[*:1]
O=C(Cc1csc(-c2ccoc2)n1)N[C@H](c1ccccc1)C1CCC1 C1CC(C1)[*:1] O=C(Cc1csc(n1)-c1ccoc1)N[C@H](c1ccccc1)[*:1]
O=C(Cc1csc(-c2ccoc2)n1)N[C@H](c1ccccc1)C1CCC1 c1cc(co1)[*:1] O=C(Cc1csc(n1)[*:1])N[C@H](c1ccccc1)C1CCC1
C[C@@H](NC(=O)N1c2ccccc2C[C@H]1C)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](NC(=O)N1c2ccccc2C[C@H]1C)c1nc(no1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(C)=O)cc2)c1 CC(=O)c1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)c1ccc(F)c(c1)C(=O)N[*:1]
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(C)=O)cc2)c1 CC(=O)[*:1] CCN(CC)S(=O)(=O)c1ccc(F)c(c1)C(=O)Nc1ccc(cc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(C)=O)cc2)c1 CCN(CC)S(=O)(=O)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1cc(ccc1F)[*:1]
O=C1OCCOc2c1cnc1cc(C(F)(F)F)ccc21 FC(F)(F)[*:1] O=C1OCCOc2c1cnc1cc(ccc21)[*:1]
C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccn1 FC(F)(F)[*:1] C[C@H]([NH2+][C@@H](C[*:1])c1ccc(F)cc1)c1ccccn1
C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccn1 Fc1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H](CC(F)(F)F)[*:1])c1ccccn1
C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccn1 FC(F)(F)C[*:1] C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[*:1])c1ccccn1
C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
O=C(C1CCN(c2ccc(OC(F)F)cn2)CC1)N1CCc2ccccc21 FC(F)O[*:1] O=C(C1CCN(CC1)c1ccc(cn1)[*:1])N1CCc2ccccc21
O=C(C1CCN(c2ccc(OC(F)F)cn2)CC1)N1CCc2ccccc21 FC(F)[*:1] O=C(C1CCN(CC1)c1ccc(cn1)O[*:1])N1CCc2ccccc21
O=C(Cc1cnn(-c2ccccc2)c1)N1CCC[C@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(Cc1cnn(c1)-c1ccccc1)N1CCC[C@@H]1[*:1]
O=C(Cc1cnn(-c2ccccc2)c1)N1CCC[C@H]1c1cccc(Br)c1 c1ccc(cc1)[*:1] O=C(Cc1cnn(c1)[*:1])N1CCC[C@H]1c1cccc(Br)c1
COc1cc(NC(=O)c2ccc(CN3CCOCC3)cc2)c(OC)cc1Cl C1CN(CCO1)C[*:1] COc1cc(NC(=O)c2ccc(cc2)[*:1])c(cc1Cl)OC
COc1cc(NC(=O)c2ccc(CN3CCOCC3)cc2)c(OC)cc1Cl C1CN(CCO1)[*:1] COc1cc(NC(=O)c2ccc(cc2)C[*:1])c(cc1Cl)OC
Cc1cc(C)c(O)c(C(=O)Nc2ccccc2N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cc(C)c(O)c(c1)C(=O)Nc1ccccc1[*:1]
Cc1nc2ccc(C(=O)N(C)C3CCCCC3)cc2nc1C C1CCC(CC1)[*:1] Cc1nc2ccc(cc2nc1C)C(=O)N(C)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)O[C@@H](C)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1ccccn1 Fc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)O[C@@H](C)c1ccccn1
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1ccccn1 C[C@@H](c1ccccn1)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)O[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1ccccn1 CC(C)[*:1] C[C@H](OC(=O)[C@H](NC(=O)c1ccccc1F)[*:1])c1ccccn1
CCCNC(=O)NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)[*:1] CCCNC(=O)NC(=O)COC(=O)C1(CCCC1)[*:1]
CCCNC(=O)NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 CCC[*:1] O=C(COC(=O)C1(CCCC1)c1ccc(Cl)cc1)NC(=O)N[*:1]
COC(=O)[C@H](C)Oc1ccnc2c(F)cc(F)cc12 COC(=O)[*:1] C[C@H](Oc1ccnc2c(F)cc(F)cc12)[*:1]
COC(=O)[C@H](C)Oc1ccnc2c(F)cc(F)cc12 COC(=O)[C@H](C)[*:1] Fc1cc(F)c2nccc(O[*:1])c2c1
CCCOc1ccc2c(c1)CCN(Cc1cc(C(N)=O)cs1)C2 CCC[*:1] NC(=O)c1csc(c1)CN1CCc2cc(ccc2C1)O[*:1]
CCCOc1ccc2c(c1)CCN(Cc1cc(C(N)=O)cs1)C2 NC(=O)[*:1] CCCOc1ccc2CN(CCc2c1)Cc1cc(cs1)[*:1]
CCCOc1ccc2c(c1)CCN(Cc1cc(C(N)=O)cs1)C2 CCCO[*:1] NC(=O)c1csc(c1)CN1CCc2cc(ccc2C1)[*:1]
Cc1cc(C)c([C@H](C/C(=N/NC(N)=O)c2cccs2)C(C#N)C#N)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] N#CC(C#N)[C@@H](C/C(=N/NC(N)=O)c1cccs1)[*:1]
Cc1cc(C)c([C@H](C/C(=N/NC(N)=O)c2cccs2)C(C#N)C#N)c(C)c1 N#CC(C#N)[*:1] Cc1cc(C)c(c(C)c1)[C@H](C/C(=N/NC(N)=O)c1cccs1)[*:1]
Cc1cc(C)c([C@H](C/C(=N/NC(N)=O)c2cccs2)C(C#N)C#N)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(c(C)c1)[C@H](CC(=NNC(N)=O)[*:1])C(C#N)C#N
CCc1noc(CN(C)C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)n1 CCc1noc(n1)[*:1] CN(C[*:1])C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1
CCc1noc(CN(C)C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)n1 CCc1noc(C[*:1])n1 CN(C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[*:1]
CCc1noc(CN(C)C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)n1 CS(=O)(=O)C[*:1] CCc1noc(CN(C)C(=O)N[C@@H](c2ccccc2)[*:1])n1
CCc1noc(CN(C)C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)n1 c1ccc(cc1)[*:1] CCc1noc(CN(C)C(=O)N[C@@H](CS(C)(=O)=O)[*:1])n1
CCc1noc(CN(C)C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)n1 CS(=O)(=O)[*:1] CCc1noc(CN(C)C(=O)N[C@@H](C[*:1])c2ccccc2)n1
Cn1ccnc1Sc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cn1ccnc1Sc1ccc(cc1[*:1])[C@@H]1NC(=O)c2ccccc2N1
Cn1ccnc1Sc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1[N+](=O)[O-] Cn1ccnc1S[*:1] O=C1N[C@H](Nc2ccccc21)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cn1ccnc1Sc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1[N+](=O)[O-] Cn1ccnc1[*:1] O=C1N[C@H](Nc2ccccc21)c1ccc(S[*:1])c(c1)[N+](=O)[O-]
Cc1cccc(NC(=O)CNC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1C Cc1cccc(c1C)[*:1] Cc1cc(=O)c(nn1-c1ccccc1Cl)C(=O)NCC(=O)N[*:1]
Cc1cccc(NC(=O)CNC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1C Clc1ccccc1[*:1] Cc1cccc(NC(=O)CNC(=O)c2nn(c(C)cc2=O)[*:1])c1C
C[C@H]1CCN(C)c2ccccc2N1C(=O)c1occc1Br Brc1ccoc1[*:1] C[C@H]1CCN(C)c2ccccc2N1C(=O)[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)C(=O)N[*:1]
COc1cc(-c2cccs2)cc2c1OCCN(Cc1cccn1-c1nccs1)C2 c1csc(n1)[*:1] COc1cc(cc2CN(CCOc21)Cc1cccn1[*:1])-c1cccs1
COc1cc(-c2cccs2)cc2c1OCCN(Cc1cccn1-c1nccs1)C2 c1csc(c1)[*:1] COc1cc(cc2CN(CCOc21)Cc1cccn1-c1nccs1)[*:1]
COCCc1ccc(OC(=O)c2ccc3ccccc3n2)cc1 COC[*:1] O=C(Oc1ccc(cc1)C[*:1])c1ccc2ccccc2n1
COCCc1ccc(OC(=O)c2ccc3ccccc3n2)cc1 COCC[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccc2ccccc2n1
Nn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1 c1coc(c1)[*:1] Nn1c(nnc1-c1ccc(Br)cc1)SCC(=O)NN=C[*:1]
Nn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCC(=O)N/N=C/c1ccco1
O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 Clc1cccc(c1Cl)[*:1] O=C(Nc1ccnn1C[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1
O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 Clc1cccc(C[*:1])c1Cl O=C(Nc1ccnn1[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1
O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(C[C@H](O)c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 O[C@H](c1ccccc1)[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(Cl)cc1
O=C(C[C@H](O)c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
O=C(C[C@H](O)c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(C[C@H](O)c1ccccc1)N1CCN(CC1)[*:1]
CC(C)[C@H](Sc1ccc(F)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 CC(C)[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)[C@@H](Sc1ccc(F)cc1)[*:1]
CC(C)[C@H](Sc1ccc(F)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] CC(C)[C@H](S[*:1])C(=O)N[C@]1(C)CCS(=O)(=O)C1
CCOc1cc2ccccc2cc1C(=O)N1CCOCC1 CCO[*:1] O=C(c1cc2ccccc2cc1[*:1])N1CCOCC1
C[C@@H](C(=O)[O-])[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C CC(C)(C)[*:1] C[C@@H](C(=O)[O-])[C@@H](N[S@](=O)C(C)(C)C)[*:1]
C[C@@H](C(=O)[O-])[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C CC(C)(C)[*:1] C[C@@H](C(=O)[O-])[C@@H](N[S@](=O)[*:1])C(C)(C)C
C[C@@H](C(=O)[O-])[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C C[C@@H](C(=O)[O-])[*:1] CC(C)(C)[C@H](N[S@](=O)C(C)(C)C)[*:1]
C[C@@H](C(=O)[O-])[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C O=C([O-])[*:1] C[C@@H]([C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C)[*:1]
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)C[*:1] CC[C@@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1ccc(F)cc1
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2)C1=O Fc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2)C1=O)[*:1]
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)NCC[*:1])C1=O)c1ccc(F)cc1
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)CC[*:1] CC[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(F)cc1
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3cccc(Cl)c3)S2)cc1 CCOc1ccc(cc1)[*:1] CN1C(=O)C[C@H](S/C1=N/c1cccc(Cl)c1)C(=O)N[*:1]
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3cccc(Cl)c3)S2)cc1 CCO[*:1] CN1C(=O)C[C@H](S/C1=N/c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3cccc(Cl)c3)S2)cc1 Clc1cccc(c1)[*:1] CCOc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C)C(=N[*:1])S1
CCCCOC(=O)CNc1cc(C)cc(F)c1 CCCC[*:1] Cc1cc(F)cc(c1)NCC(=O)O[*:1]
CCCCOC(=O)CNc1cc(C)cc(F)c1 CCC[*:1] Cc1cc(F)cc(c1)NCC(=O)OC[*:1]
O=C(/C=C/c1cccc(Cl)c1Cl)Nc1ccc2c(c1)NC(=O)CO2 Clc1cccc(c1Cl)[*:1] O=C(C=C[*:1])Nc1ccc2OCC(=O)Nc2c1
O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCCc2c(Cl)ccc(F)c21 FC(F)(F)[*:1] O=C(Cn1cccc(c1=O)[*:1])N1CCCc2c(Cl)ccc(F)c21
CSc1nc2nc(C)c(CCC(=O)Nc3ccnn3Cc3c(Cl)cccc3Cl)c(C)n2n1 Clc1cccc(Cl)c1C[*:1] CSc1nc2nc(C)c(CCC(=O)Nc3ccnn3[*:1])c(C)n2n1
CSc1nc2nc(C)c(CCC(=O)Nc3ccnn3Cc3c(Cl)cccc3Cl)c(C)n2n1 Clc1cccc(Cl)c1[*:1] CSc1nc2nc(C)c(CCC(=O)Nc3ccnn3C[*:1])c(C)n2n1
CCCc1cc(NC(=O)CCc2nc(-c3ccsc3)no2)n[nH]1 CCC[*:1] O=C(CCc1nc(no1)-c1ccsc1)Nc1cc([nH]n1)[*:1]
CCCc1cc(NC(=O)CCc2nc(-c3ccsc3)no2)n[nH]1 c1cc(cs1)[*:1] CCCc1cc(n[nH]1)NC(=O)CCc1nc(no1)[*:1]
CCNC(=O)CN1CCN(Cc2nc(C(C)C)no2)CC1 CCNC(=O)C[*:1] CC(C)c1noc(CN2CCN(CC2)[*:1])n1
CCNC(=O)CN1CCN(Cc2nc(C(C)C)no2)CC1 CC(C)[*:1] CCNC(=O)CN1CCN(CC1)Cc1nc(no1)[*:1]
CCNC(=O)CN1CCN(Cc2nc(C(C)C)no2)CC1 CCNC(=O)[*:1] CC(C)c1noc(CN2CCN(CC2)C[*:1])n1
Cc1occc1C(=O)NC1CCN(C(=O)C(=O)Nc2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] Cc1occc1C(=O)NC1CCN(CC1)C(=O)C(=O)N[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)C(=O)Nc2ccc(F)cc2F)CC1 Cc1occc1[*:1] O=C(Nc1ccc(F)cc1F)C(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)C(=O)Nc2ccc(F)cc2F)CC1 Cc1occc1C(=O)N[*:1] O=C(Nc1ccc(F)cc1F)C(=O)N1CCC(CC1)[*:1]
C[C@@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1)c1ccccn1 C[C@@H](c1ccccn1)[*:1] O=C(O[*:1])[C@@H]1C[C@@H]1c1ccc(cc1)OC(F)(F)F
C[C@@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1)c1ccccn1 FC(F)(F)[*:1] C[C@@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)O[*:1])c1ccccn1
C[C@@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)OC(F)(F)F)[*:1]
C[C@@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1)c1ccccn1 FC(F)(F)O[*:1] C[C@@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)[*:1])c1ccccn1
COc1ccc(CN2C[C@@H](c3nc4ccccc4n3C)CC2=O)cc1 COc1ccc(cc1)[*:1] Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)C[*:1]
COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 COc1ccc(cc1)[*:1] Cc1sc2nc(COC(=O)[C@H]3C[C@@H](O)CN3S(=O)(=O)[*:1])[nH]c(=O)c2c1C
CCOc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1OCC(=O)N1CCOCC1 C1CC1[*:1] CCOc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)N1CCN(CC1)C(=O)[*:1]
CCOc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1OCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CCOc1cc(ccc1OC[*:1])C(=O)N1CCN(CC1)C(=O)C1CC1
CCOc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1OCC(=O)N1CCOCC1 CCO[*:1] O=C(COc1ccc(cc1[*:1])C(=O)N1CCN(CC1)C(=O)C1CC1)N1CCOCC1
CCOc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1OCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 CCOc1cc(ccc1O[*:1])C(=O)N1CCN(CC1)C(=O)C1CC1
CCOc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1OCC(=O)N1CCOCC1 O=C(CO[*:1])N1CCOCC1 CCOc1cc(ccc1[*:1])C(=O)N1CCN(CC1)C(=O)C1CC1
COc1cc(OC)c([C@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc1OC Fc1ccccc1[*:1] COc1cc(OC)c(cc1OC)[C@H]1CC(=O)N2CN(CSC2=C1C#N)[*:1]
COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccccc2)C(=O)N3)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc2NC(=O)[C@H](CC(=O)N[*:1])n2n1
COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccccc2)C(=O)N3)cc1 COc1ccc(cc1)[*:1] O=C(C[C@H]1C(=O)Nc2nc(nn21)[*:1])Nc1ccccc1
COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccccc2)C(=O)N3)cc1 O=C(Nc1ccccc1)[*:1] COc1ccc(cc1)-c1nc2NC(=O)[C@H](C[*:1])n2n1
CCOC(=O)/C(=C/c1cc(C)c(O)c(C)c1)c1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)/C(=C/c1cc(C)c(O)c(C)c1)c1nccn1C[*:1]
CCOC(=O)/C(=C/c1cc(C)c(O)c(C)c1)c1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] CCOC(=O)/C(=C/c1cc(C)c(O)c(C)c1)c1nccn1[*:1]
CCOC(=O)/C(=C/c1cc(C)c(O)c(C)c1)c1nccn1Cc1ccccc1 CCOC(=O)[*:1] Cc1cc(C=C(c2nccn2Cc2ccccc2)[*:1])cc(C)c1O
CCOC(=O)/C(=C/c1cc(C)c(O)c(C)c1)c1nccn1Cc1ccccc1 Cc1cc(cc(C)c1O)[*:1] CCOC(=O)C(=C[*:1])c1nccn1Cc1ccccc1
COCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1[nH+]ccn1C COCC[*:1] Cn1cc[nH+]c1[C@@H]1[C@H](C(=O)[O-])c2ccccc2C(=O)N1[*:1]
COCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1[nH+]ccn1C COC[*:1] Cn1cc[nH+]c1[C@@H]1[C@H](C(=O)[O-])c2ccccc2C(=O)N1C[*:1]
COCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1[nH+]ccn1C O=C([O-])[*:1] COCCN1C(=O)c2ccccc2[C@@H]([C@H]1c1[nH+]ccn1C)[*:1]
Cc1ccc(Cl)cc1N1CC[C@@H](C(=O)Nc2ccc(F)cc2F)C1=O Fc1ccc(c(F)c1)[*:1] Cc1ccc(Cl)cc1N1CC[C@@H](C(=O)N[*:1])C1=O
Cc1ccc(Cl)cc1N1CC[C@@H](C(=O)Nc2ccc(F)cc2F)C1=O Cc1ccc(Cl)cc1[*:1] O=C(Nc1ccc(F)cc1F)[C@@H]1CCN(C1=O)[*:1]
COC[C@@H](O)[C@H]1CCOC2(CCSCC2)C1 COC[*:1] O[C@@H]([C@H]1CCOC2(CCSCC2)C1)[*:1]
COC[C@@H](O)[C@H]1CCOC2(CCSCC2)C1 COC[C@@H](O)[*:1] C1C[C@@H](CC2(CCSCC2)O1)[*:1]
O=C(NCCNC(=O)c1ccco1)Nc1cnn(C[C@@H]2CCCO2)c1 c1coc(c1)[*:1] O=C(NCCNC(=O)[*:1])Nc1cnn(c1)C[C@@H]1CCCO1
O=C(NCCNC(=O)c1ccco1)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] O=C(NCCNC(=O)c1ccco1)Nc1cnn(c1)[*:1]
O=C(NCCNC(=O)c1ccco1)Nc1cnn(C[C@@H]2CCCO2)c1 O=C(N[*:1])c1ccco1 O=C(NCC[*:1])Nc1cnn(c1)C[C@@H]1CCCO1
CCc1nn(C)c(OC)c1CNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)C[*:1]
CCc1nn(C)c(C(=O)NC[C@@H](CC)CCO)c1N CC[C@@H](CCO)[*:1] CCc1nn(C)c(C(=O)NC[*:1])c1N
CCc1nn(C)c(C(=O)NC[C@@H](CC)CCO)c1N OCC[*:1] CCc1nn(C)c(C(=O)NC[C@@H](CC)[*:1])c1N
COC[C@H](NS(=O)(=O)c1ccc(Cl)nc1)c1ccc(F)c(F)c1 Clc1ccc(cn1)[*:1] COC[C@H](NS(=O)(=O)[*:1])c1ccc(F)c(F)c1
COC[C@H](NS(=O)(=O)c1ccc(Cl)nc1)c1ccc(F)c(F)c1 COC[*:1] O=S(=O)(N[C@H](c1ccc(F)c(F)c1)[*:1])c1ccc(Cl)nc1
COCCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1 c1ccc(cc1)C[*:1] COCCNC(=O)c1cc2sc(C)cc2n1[*:1]
COCCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1 c1ccc(cc1)[*:1] COCCNC(=O)c1cc2sc(C)cc2n1C[*:1]
COCCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1 COCC[*:1] Cc1cc2c(cc(C(=O)N[*:1])n2Cc2ccccc2)s1
COCCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1 COCCNC(=O)[*:1] Cc1cc2c(cc(n2Cc2ccccc2)[*:1])s1
COCCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1 COC[*:1] Cc1cc2c(cc(C(=O)NC[*:1])n2Cc2ccccc2)s1
COc1ccc([C@H]([NH2+]Cc2cc[nH]n2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H]([NH2+]Cc1cc[nH]n1)[*:1]
Cn1nccc1C(=O)N(CCN1CCOCC1)c1nc2ccccc2s1 Cn1nccc1[*:1] O=C(N(CCN1CCOCC1)c1nc2ccccc2s1)[*:1]
Cn1nccc1C(=O)N(CCN1CCOCC1)c1nc2ccccc2s1 C1CN(CCO1)CC[*:1] Cn1nccc1C(=O)N(c1nc2ccccc2s1)[*:1]
Cn1nccc1C(=O)N(CCN1CCOCC1)c1nc2ccccc2s1 C1CN(CCO1)C[*:1] Cn1nccc1C(=O)N(C[*:1])c1nc2ccccc2s1
Cn1nccc1C(=O)N(CCN1CCOCC1)c1nc2ccccc2s1 C1CN(CCO1)[*:1] Cn1nccc1C(=O)N(CC[*:1])c1nc2ccccc2s1
Cc1cc(C)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1-c1nc(-c2ccc3c(c2)OCO3)no1 c1cc2OCOc2cc1[*:1] Cc1cc(C)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1-c1nc(no1)[*:1]
Cc1cc(C)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1-c1nc(-c2ccc3c(c2)OCO3)no1 O=C(Nc1ccc(F)c(Cl)c1)[*:1] Cc1cc(C)n(C[*:1])c(=O)c1-c1nc(no1)-c1ccc2OCOc2c1
Cc1cc(C)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1-c1nc(-c2ccc3c(c2)OCO3)no1 Fc1ccc(cc1Cl)[*:1] Cc1cc(C)n(CC(=O)N[*:1])c(=O)c1-c1nc(no1)-c1ccc2OCOc2c1
CCC[C@H]1CN(C(=O)Nc2cc(OC)c(OC)cc2F)CCO1 CCC[*:1] COc1cc(F)c(cc1OC)NC(=O)N1CCO[C@H](C1)[*:1]
COc1ccccc1C[C@@H](NC(=O)N(C)C(C)C)C(C)C CC(C)[*:1] COc1ccccc1C[C@@H](NC(=O)N(C)[*:1])C(C)C
COc1ccccc1C[C@@H](NC(=O)N(C)C(C)C)C(C)C CC(C)[*:1] COc1ccccc1C[C@@H](NC(=O)N(C)C(C)C)[*:1]
Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccncc2)c1C c1cc(ccn1)[*:1] Cc1cccc(c1C)N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)[*:1]
Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccncc2)c1C Cc1cccc(c1C)[*:1] Cc1cccc2cc(CN(C(=O)c3ccncc3)[*:1])c(=O)[nH]c12
O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1cc2ccccc2oc1=O Fc1cccc(c1)[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])c1cc2ccccc2oc1=O
CC[C@H](c1nc(CC(C)C)no1)N1Cc2ccccc2C1=O CC(C)C[*:1] CC[C@H](c1nc(no1)[*:1])N1Cc2ccccc2C1=O
CC[C@H](c1nc(CC(C)C)no1)N1Cc2ccccc2C1=O CC(C)[*:1] CC[C@H](c1nc(C[*:1])no1)N1Cc2ccccc2C1=O
Cc1cn2c(=O)c(C(=O)Nc3cnn(-c4ccccc4)c3)cnc2s1 c1ccc(cc1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)Nc1cnn(c1)[*:1]
CN(C)c1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] CN(C)c1cccc(c1)C(=O)NC1CC[NH+](CC1)[*:1]
CN(C)c1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 CN(C)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CN(C)c1cccc(c1)C(=O)NC1CC[NH+](CC1)C[*:1]
CC(C)N(C(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 Clc1ccc(cc1Cl)[*:1] CC(C)N(C(=O)CS(=O)(=O)C[*:1])c1ccccc1
CC(C)N(C(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)[*:1]
CC(C)N(C(=O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 CC(C)[*:1] O=C(CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)N(c1ccccc1)[*:1]
Cc1cccc(-c2cccc(CNC(=O)NC[C@H](C)C[C@H](C)O)c2)c1 Cc1cccc(c1)[*:1] C[C@H](O)C[C@@H](C)CNC(=O)NCc1cccc(c1)[*:1]
Cc1cccc(-c2cccc(CNC(=O)NC[C@H](C)C[C@H](C)O)c2)c1 C[C@H](O)[*:1] Cc1cccc(c1)-c1cccc(c1)CNC(=O)NC[C@H](C)C[*:1]
O=C(c1ccco1)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F FC(F)(F)[*:1] O=C(c1ccco1)N1N=C2CCCCC[C@@H]2[C@@]1(O)[*:1]
O=C(c1ccco1)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F c1coc(c1)[*:1] O=C(N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F)[*:1]
CCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 CC(C)(O)C[*:1] CCN(C(=O)[C@H]1C[C@@H]2C=C[C@H]1C2)[*:1]
CCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 CC(C)(O)[*:1] CCN(C[*:1])C(=O)[C@H]1C[C@@H]2C=C[C@H]1C2
Cc1cncc([C@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 c1cncc(c1)[*:1] Cc1cncc(n1)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1cncc([C@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 c1cncc(c1)C[*:1] Cc1cncc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cncc([C@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 Cc1cncc(n1)[*:1] O=C(Cc1cccnc1)N1CCC[C@@H](C1)[*:1]
CC(C)(C)NC(=O)COc1ccc(Cl)cc1C(N)=O NC(=O)[*:1] CC(C)(C)NC(=O)COc1ccc(Cl)cc1[*:1]
CC(C)(C)NC(=O)COc1ccc(Cl)cc1C(N)=O CC(C)(C)[*:1] NC(=O)c1cc(Cl)ccc1OCC(=O)N[*:1]
C/C(=C\C(=O)N1CCN(C(=O)c2ccoc2)CC1)C(C)(C)C CC(=C[*:1])C(C)(C)C O=C(c1ccoc1)N1CCN(CC1)C(=O)[*:1]
C/C(=C\C(=O)N1CCN(C(=O)c2ccoc2)CC1)C(C)(C)C c1cc(co1)[*:1] C/C(=C\C(=O)N1CCN(CC1)C(=O)[*:1])C(C)(C)C
C/C(=C\C(=O)N1CCN(C(=O)c2ccoc2)CC1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)N1CCN(CC1)C(=O)c1ccoc1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCC(Cn2cnc3ccccc32)CC1 Clc1ccc(cc1)[*:1] O=C(N1CCC(CC1)Cn1cnc2ccccc21)[*:1]
O=C(NCCCO)NCc1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NCCCO)NCc1cccc(c1)O[*:1]
O=C(NCCCO)NCc1cccc(Oc2ccccc2)c1 OCC[*:1] O=C(NCc1cccc(c1)Oc1ccccc1)NC[*:1]
O=C(NCCCO)NCc1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] O=C(NCCCO)NCc1cccc(c1)[*:1]
O=C(NCCCO)NCc1cccc(Oc2ccccc2)c1 OCCC[*:1] O=C(NCc1cccc(c1)Oc1ccccc1)N[*:1]
O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[*:1]
O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] Fc1ccc(c(F)c1)[*:1] O=C([O-])COc1ccc(/C=C/C(=O)[*:1])cc1[N+](=O)[O-]
O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] O=C([O-])[*:1] O=C(/C=C/c1ccc(OC[*:1])c(c1)[N+](=O)[O-])c1ccc(F)cc1F
O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] O=C([O-])C[*:1] O=C(/C=C/c1ccc(O[*:1])c(c1)[N+](=O)[O-])c1ccc(F)cc1F
O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] O=C([O-])CO[*:1] O=C(/C=C/c1ccc(c(c1)[N+](=O)[O-])[*:1])c1ccc(F)cc1F
O=C(CS[C@H]1NN=C(C[C@@H]2CCS(=O)(=O)C2)O1)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 O=S1(=O)CC[C@H](C1)C[*:1] O=C(CS[C@H]1NN=C(O1)[*:1])C1=c2ccccc2=[NH+][C@@H]1c1ccccc1
O=C(CS[C@H]1NN=C(C[C@@H]2CCS(=O)(=O)C2)O1)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 O=S1(=O)CC[C@H](C1)[*:1] O=C(CS[C@H]1NN=C(C[*:1])O1)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1
O=C(CS[C@H]1NN=C(C[C@@H]2CCS(=O)(=O)C2)O1)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CS[C@H]1NN=C(C[C@@H]2CCS(=O)(=O)C2)O1)C1=c2ccccc2=[NH+][C@H]1[*:1]
C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](CO)c1ccccc1F Fc1ccccc1[*:1] C[C@H](CCc1ccc2OCOc2c1)[NH2+][C@@H](CO)[*:1]
Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3C)cc1 Cc1ccc(cc1)N[*:1] Cn1ncc2c(nc(nc21)NCCN1CCOCC1)[*:1]
Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3C)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)Nc1nc(nc2c1cnn2C)NCC[*:1]
Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3C)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)Nc1nc(nc2c1cnn2C)NC[*:1]
Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3C)cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)Nc1nc(nc2c1cnn2C)N[*:1]
Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3C)cc1 Cc1ccc(cc1)[*:1] Cn1ncc2c(nc(nc21)NCCN1CCOCC1)N[*:1]
Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3C)cc1 C(CN1CCOCC1)N[*:1] Cc1ccc(cc1)Nc1nc(nc2c1cnn2C)[*:1]
O=C(NCc1cccc(OC(F)F)c1)NC[C@H](O)c1ccc2ccccc2c1 FC(F)[*:1] O=C(NCc1cccc(c1)O[*:1])NC[C@H](O)c1ccc2ccccc2c1
O=C(NCc1cccc(OC(F)F)c1)NC[C@H](O)c1ccc2ccccc2c1 FC(F)O[*:1] O=C(NCc1cccc(c1)[*:1])NC[C@H](O)c1ccc2ccccc2c1
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](C)SC)c1 CNS(=O)(=O)[*:1] CS[C@@H](C)C[NH2+][C@H](C)c1cccc(c1)[*:1]
O=C(NCCCN1CCOCC1)C1(c2cc(-c3cccs3)on2)CC1 c1csc(c1)[*:1] O=C(NCCCN1CCOCC1)C1(CC1)c1cc(on1)[*:1]
O=C(NCCCN1CCOCC1)C1(c2cc(-c3cccs3)on2)CC1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])C1(CC1)c1cc(on1)-c1cccs1
O=C(NCCCN1CCOCC1)C1(c2cc(-c3cccs3)on2)CC1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])C1(CC1)c1cc(on1)-c1cccs1
O=C(NCCCN1CCOCC1)C1(c2cc(-c3cccs3)on2)CC1 C1CN(CCO1)CC[*:1] O=C(NC[*:1])C1(CC1)c1cc(on1)-c1cccs1
C[C@H](O)C[C@H](C)CNC(=O)Nc1cc(F)ccc1-n1cccn1 c1cnn(c1)[*:1] C[C@H](O)C[C@H](C)CNC(=O)Nc1cc(F)ccc1[*:1]
C[C@H](O)C[C@H](C)CNC(=O)Nc1cc(F)ccc1-n1cccn1 C[C@H](O)C[*:1] C[C@H](CNC(=O)Nc1cc(F)ccc1-n1cccn1)[*:1]
C[C@H](O)C[C@H](C)CNC(=O)Nc1cc(F)ccc1-n1cccn1 C[C@H](O)[*:1] C[C@H](CNC(=O)Nc1cc(F)ccc1-n1cccn1)C[*:1]
Cc1n[nH]c(C)c1NC(=O)Nc1ccccc1N1CCCC1=O Cc1n[nH]c(C)c1[*:1] O=C(Nc1ccccc1N1CCCC1=O)N[*:1]
Cc1n[nH]c(C)c1NC(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] Cc1n[nH]c(C)c1NC(=O)Nc1ccccc1[*:1]
COc1ccc(F)c(NC(=O)C(=O)NC[C@H](O)c2ccco2)c1 c1coc(c1)[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)NC[C@H](O)[*:1]
O=C(c1cc2ccccc2[nH]1)N1CCC(/C=C(\[O-])NC2CCCCC2)CC1 c1ccc2[nH]c(cc2c1)[*:1] O=C(N1CCC(/C=C(\[O-])NC2CCCCC2)CC1)[*:1]
O=C(c1cc2ccccc2[nH]1)N1CCC(/C=C(\[O-])NC2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(c1cc2ccccc2[nH]1)N1CCC(/C=C(\[O-])N[*:1])CC1
O=C(c1cc2ccccc2[nH]1)N1CCC(/C=C(\[O-])NC2CCCCC2)CC1 C1CCC(CC1)N[*:1] O=C(c1cc2ccccc2[nH]1)N1CCC(/C=C(\[O-])[*:1])CC1
c1cc(CN2CCc3c([nH+]cn3C3CC3)C2)c2c(c1)OCCO2 C1CC1[*:1] c1cc(CN2CCc3c(C2)[nH+]cn3[*:1])c2OCCOc2c1
O[C@H](COc1ccc(Cl)cc1)CSc1nccc(C(F)(F)F)n1 Clc1ccc(cc1)[*:1] O[C@H](CO[*:1])CSc1nccc(n1)C(F)(F)F
O[C@H](COc1ccc(Cl)cc1)CSc1nccc(C(F)(F)F)n1 FC(F)(F)[*:1] O[C@H](COc1ccc(Cl)cc1)CSc1nccc(n1)[*:1]
CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CSCC[NH+]2CCCC2)C1 CCn1cc[nH+]c1[*:1] O=C(CSCC[NH+]1CCCC1)N1CCC[C@H](C1)[*:1]
CN(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)[*:1]
CCC[C@H]1C(=O)N[C@@](C)(CC)C(=O)N1Cc1nc(C)cs1 Cc1csc(n1)[*:1] CCC[C@H]1C(=O)N[C@@](C)(CC)C(=O)N1C[*:1]
CCC[C@H]1C(=O)N[C@@](C)(CC)C(=O)N1Cc1nc(C)cs1 CCC[*:1] CC[C@]1(C)NC(=O)[C@@H](N(Cc2nc(C)cs2)C1=O)[*:1]
CCC[C@H]1C(=O)N[C@@](C)(CC)C(=O)N1Cc1nc(C)cs1 Cc1csc(C[*:1])n1 CCC[C@H]1C(=O)N[C@@](C)(CC)C(=O)N1[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 C1CC1[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@H](c1ccc(Br)cc1)[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 Brc1ccc(cc1)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@H](C1CC1)[*:1]
CC[C@H](CBr)C[C@H]1Cc2ccccc2S1 CC[C@H](CBr)[*:1] c1ccc2S[C@H](Cc2c1)C[*:1]
CCOC(=O)[C@]1(CC)O[C@]12CCCc1ccc(OC)cc12 CCOC(=O)[*:1] CC[C@@]1(O[C@]12CCCc1ccc(cc12)OC)[*:1]
CN(Cc1ccccc1N1CCOCC1)c1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] CN(Cc1ccccc1N1CCOCC1)[*:1]
CN(Cc1ccccc1N1CCOCC1)c1ccc(Cl)cn1 C1CN(CCO1)[*:1] CN(Cc1ccccc1[*:1])c1ccc(Cl)cn1
COc1cc(C)ccc1OCC(=O)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(C)ccc1OCC(=O)NNC(=O)[*:1]
CC(C)(C)CS(=O)(=O)/N=C(\[O-])Cc1cccs1 c1csc(c1)[*:1] CC(C)(C)CS(=O)(=O)/N=C(\[O-])C[*:1]
CC(C)(C)CS(=O)(=O)/N=C(\[O-])Cc1cccs1 CC(C)(C)[*:1] O=S(=O)(C[*:1])/N=C(\[O-])Cc1cccs1
CC(C)(C)CS(=O)(=O)/N=C(\[O-])Cc1cccs1 CC(C)(C)C[*:1] O=S(=O)(/N=C(\[O-])Cc1cccs1)[*:1]
COc1ccc(/C=N/NC(=O)c2cccnc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(/C=N/NC(=O)c2cccnc2)cc1[*:1]
COc1ccc(/C=N/NC(=O)c2cccnc2)cc1[N+](=O)[O-] c1cncc(c1)[*:1] COc1ccc(/C=N/NC(=O)[*:1])cc1[N+](=O)[O-]
O=Cc1cn([C@H]2CCS(=O)(=O)C2)nc1-c1ccoc1 c1cc(co1)[*:1] O=Cc1cn(nc1[*:1])[C@H]1CCS(=O)(=O)C1
Cc1cc(C(=O)/C(C#N)=C\c2cn(C)nc2C(C)(C)C)c(C)n1CC(F)(F)F FC(F)(F)[*:1] Cc1cc(C(=O)/C(C#N)=C\c2cn(C)nc2C(C)(C)C)c(C)n1C[*:1]
Cc1cc(C(=O)/C(C#N)=C\c2cn(C)nc2C(C)(C)C)c(C)n1CC(F)(F)F CC(C)(C)[*:1] Cc1cc(C(=O)/C(C#N)=C\c2cn(C)nc2[*:1])c(C)n1CC(F)(F)F
Cc1cc(C(=O)/C(C#N)=C\c2cn(C)nc2C(C)(C)C)c(C)n1CC(F)(F)F FC(F)(F)C[*:1] Cc1cc(C(=O)/C(C#N)=C\c2cn(C)nc2C(C)(C)C)c(C)n1[*:1]
C/[NH+]=C(/NCc1[nH+]ccn1CC(C)C)N1C[C@H]2CC=CC[C@@H]2C1 CC(C)C[*:1] C/[NH+]=C(/NCc1[nH+]ccn1[*:1])N1C[C@H]2CC=CC[C@@H]2C1
C/[NH+]=C(/NCc1[nH+]ccn1CC(C)C)N1C[C@H]2CC=CC[C@@H]2C1 CC(C)[*:1] C/[NH+]=C(/NCc1[nH+]ccn1C[*:1])N1C[C@H]2CC=CC[C@@H]2C1
O=C(/C=C/c1ccco1)N1CC[C@@H]2CCCC[C@@H]21 c1coc(c1)[*:1] O=C(C=C[*:1])N1CC[C@@H]2CCCC[C@@H]21
N#Cc1ccc(/C=C2\S[C@@H]3c4ccccc4C(=O)N3Cc3ccccc3C2=O)cc1 N#Cc1ccc(cc1)[*:1] O=C1C(=C[*:1])S[C@@H]2c3ccccc3C(=O)N2Cc2ccccc21
CC(C)C1(CNC(=O)N(C)C[C@H](C)O)CC1 C[C@H](O)[*:1] CC(C)C1(CC1)CNC(=O)N(C)C[*:1]
CC(C)C1(CNC(=O)N(C)C[C@H](C)O)CC1 CC(C)[*:1] C[C@H](O)CN(C)C(=O)NCC1(CC1)[*:1]
CC(C)C1(CNC(=O)N(C)C[C@H](C)O)CC1 C[C@H](O)C[*:1] CC(C)C1(CC1)CNC(=O)N(C)[*:1]
[NH3+][C@@H](CCCCC(=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 O=C([O-])CC[*:1] [NH3+][C@@H](CC[*:1])c1ccc2[nH]c(=O)[nH]c2c1
[NH3+][C@@H](CCCCC(=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 O=C([O-])[*:1] [NH3+][C@@H](CCCC[*:1])c1ccc2[nH]c(=O)[nH]c2c1
[NH3+][C@@H](CCCCC(=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 O=C([O-])CCC[*:1] [NH3+][C@@H](C[*:1])c1ccc2[nH]c(=O)[nH]c2c1
[NH3+][C@@H](CCCCC(=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 O=C([O-])C[*:1] [NH3+][C@@H](CCC[*:1])c1ccc2[nH]c(=O)[nH]c2c1
Cc1cc(C)nc([C@@H](C#N)C(=O)c2cn(CC(C)C)c3ccccc23)n1 CC(C)C[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)c1cn(c2ccccc12)[*:1]
Cc1cc(C)nc([C@@H](C#N)C(=O)c2cn(CC(C)C)c3ccccc23)n1 CC(C)[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)c1cn(C[*:1])c2ccccc12
Cc1cc(C)nc([C@@H](C#N)C(=O)c2cn(CC(C)C)c3ccccc23)n1 Cc1cc(C)nc(n1)[*:1] CC(C)Cn1cc(C(=O)[C@H](C#N)[*:1])c2ccccc21
C=CCN(C(=O)c1cc(S(=O)(=O)N(C)C)oc1C)c1ccccc1 C=CC[*:1] Cc1oc(cc1C(=O)N(c1ccccc1)[*:1])S(=O)(=O)N(C)C
C=CCN(C(=O)c1cc(S(=O)(=O)N(C)C)oc1C)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)c1cc(oc1C)S(=O)(=O)N(C)C)[*:1]
C=CCN(C(=O)c1cc(S(=O)(=O)N(C)C)oc1C)c1ccccc1 CN(C)S(=O)(=O)[*:1] C=CCN(C(=O)c1cc(oc1C)[*:1])c1ccccc1
C[C@@H](NC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1)c1ccncc1 C[C@@H](c1ccncc1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)-c1ccccc1
C[C@@H](NC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1)c1ccncc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@H](C)c1ccc(cc1)[*:1])c1ccncc1
C[C@@H](NC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)N[C@H](C)[*:1])c1ccc(cc1)-c1ccccc1
Cc1cc(OCCN2C(=O)N[C@](C)(c3ccccn3)C2=O)ccc1C(C)C c1ccc(nc1)[*:1] Cc1cc(ccc1C(C)C)OCCN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1cc(OCCN2C(=O)N[C@](C)(c3ccccn3)C2=O)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCCN1C(=O)N[C@@](C)(C1=O)c1ccccn1
FC(F)(F)c1nc2ccccc2n1CC1CC[NH2+]CC1 FC(F)(F)[*:1] c1ccc2c(c1)nc(n2CC1CC[NH2+]CC1)[*:1]
C[C@H](Sc1ccc(F)c(F)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@H](Sc1ccc(F)c(F)c1)C(=O)N(C)[*:1]
O=C(CSc1ccc(C(=O)N2CCCC2)cn1)c1ccc(O)cc1O Oc1ccc(c(O)c1)[*:1] O=C(c1ccc(nc1)SCC(=O)[*:1])N1CCCC1
O=C(CSc1ccc(C(=O)N2CCCC2)cn1)c1ccc(O)cc1O O=C(N1CCCC1)[*:1] O=C(CSc1ccc(cn1)[*:1])c1ccc(O)cc1O
Cc1cc(-n2cc(CCCO)cn2)nc(C)n1 OCC[*:1] Cc1cc(nc(C)n1)-n1cc(cn1)C[*:1]
Cc1cc(-n2cc(CCCO)cn2)nc(C)n1 OCCC[*:1] Cc1cc(nc(C)n1)-n1cc(cn1)[*:1]
CCN[C@]1(C#N)CC[C@@H](Oc2cccc(COC)c2)C1 COC[*:1] CCN[C@]1(C#N)CC[C@H](C1)Oc1cccc(c1)[*:1]
CCN[C@]1(C#N)CC[C@@H](Oc2cccc(COC)c2)C1 CCN[*:1] COCc1cccc(c1)O[C@@H]1CC[C@@](C#N)(C1)[*:1]
CN(C)C1=C(C(=O)Nc2ccccc2)CSc2ccccc21 CN(C)[*:1] O=C(Nc1ccccc1)C1CSc2ccccc2C=1[*:1]
CN(C)C1=C(C(=O)Nc2ccccc2)CSc2ccccc21 c1ccc(cc1)[*:1] CN(C)C1=C(CSc2ccccc21)C(=O)N[*:1]
COc1ccc(OC)c(CNC(=O)c2sccc2C)c1 Cc1ccsc1[*:1] COc1ccc(OC)c(c1)CNC(=O)[*:1]
CC1(C[NH2+][C@@H]2CCc3c(O)cccc32)COC1 CC1(COC1)[*:1] Oc1cccc2c1CC[C@H]2[NH2+]C[*:1]
Cc1nc([C@@H]2CCCN(Cc3ccccc3)C2)ncc1C(=O)N1CCCCC1 c1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)N1CCCCC1)[C@@H]1CCCN(C1)C[*:1]
Cc1nc([C@@H]2CCCN(Cc3ccccc3)C2)ncc1C(=O)N1CCCCC1 c1ccc(cc1)C[*:1] Cc1nc(ncc1C(=O)N1CCCCC1)[C@@H]1CCCN(C1)[*:1]
Cc1nc([C@@H]2CCCN(Cc3ccccc3)C2)ncc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] Cc1nc(ncc1[*:1])[C@@H]1CCCN(Cc2ccccc2)C1
COc1ccc(CCNC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)CCNC(=O)[*:1]
CCOc1cc(C[NH+]2CCN(C3CC3)C(=O)C2)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(cc1[*:1])C[NH+]1CCN(C(=O)C1)C1CC1
CCOc1cc(C[NH+]2CCN(C3CC3)C(=O)C2)cc(Cl)c1OC C1CC1[*:1] CCOc1cc(cc(Cl)c1OC)C[NH+]1CCN(C(=O)C1)[*:1]
Cc1nc(Nc2ncnc(N(CC#N)CC#N)c2N)sc1C N#CCN(CC#N)[*:1] Cc1nc(Nc2ncnc(c2N)[*:1])sc1C
Cc1nc(Nc2ncnc(N(CC#N)CC#N)c2N)sc1C Cc1nc(sc1C)[*:1] N#CCN(CC#N)c1ncnc(N[*:1])c1N
Cc1nc(Nc2ncnc(N(CC#N)CC#N)c2N)sc1C N#CC[*:1] Cc1nc(Nc2ncnc(c2N)N(CC#N)[*:1])sc1C
CCN1CCN(C(=O)c2nnc3sc(-c4ccccc4Cl)nn23)CC1 Clc1ccccc1[*:1] CCN1CCN(CC1)C(=O)c1nnc2sc(nn12)[*:1]
O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(Cc2cccc3ccccc23)CC1 c1ccc2c(cccc2c1)C[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1cccs1)N1CCN(CC1)[*:1]
O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(Cc2cccc3ccccc23)CC1 c1ccc2c(cccc2c1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1cccs1)N1CCN(CC1)C[*:1]
O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(Cc2cccc3ccccc23)CC1 c1csc(c1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCN(CC1)Cc1cccc2ccccc12
Cc1cc(NC(=O)CCS(=O)(=O)[C@H](C)c2ccccc2)no1 Cc1cc(no1)[*:1] C[C@H](c1ccccc1)S(=O)(=O)CCC(=O)N[*:1]
Cc1cc(NC(=O)CCS(=O)(=O)[C@H](C)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CCS(=O)(=O)[C@H](C)[*:1]
Cc1cnc([C@@H](C)NC(=O)NCC(C)(C)c2ccccc2Cl)s1 Clc1ccccc1[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NCC(C)(C)[*:1]
Cc1cnc([C@@H](C)NC(=O)NCC(C)(C)c2ccccc2Cl)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)NCC(C)(C)c1ccccc1Cl)[*:1]
C[C@H](NC(=O)C1CC1)c1nc2ccccc2n1C/C=C/c1ccccc1 C1CC1[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2n1C/C=C/c1ccccc1
C[C@H](NC(=O)C1CC1)c1nc2ccccc2n1C/C=C/c1ccccc1 O=C(N[*:1])C1CC1 C[C@H](c1nc2ccccc2n1C/C=C/c1ccccc1)[*:1]
C[C@H](NC(=O)C1CC1)c1nc2ccccc2n1C/C=C/c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C1CC1)c1nc2ccccc2n1CC=C[*:1]
C[C@H](NC(=O)C1CC1)c1nc2ccccc2n1C/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 C[C@H](NC(=O)C1CC1)c1nc2ccccc2n1C[*:1]
Cc1cc(Cl)c(NC(=O)C(=O)NC2CCC(O)CC2)cc1Cl OC1CCC(CC1)[*:1] Cc1cc(Cl)c(cc1Cl)NC(=O)C(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1C(C)C C=CC[*:1] CC(C)c1nnc(SCC(=O)Nc2nc3ccccc3s2)n1[*:1]
C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1C(C)C CC(C)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1nc2ccccc2s1
CNC(=O)c1cc(Oc2cccc(OC(=O)/C=C/C3CC3)c2C)ccn1 O=C(/C=C/C1CC1)O[*:1] CNC(=O)c1cc(ccn1)Oc1cccc(c1C)[*:1]
CNC(=O)c1cc(Oc2cccc(OC(=O)/C=C/C3CC3)c2C)ccn1 C1CC1[*:1] CNC(=O)c1cc(ccn1)Oc1cccc(OC(=O)C=C[*:1])c1C
CNC(=O)c1cc(Oc2cccc(OC(=O)/C=C/C3CC3)c2C)ccn1 CNC(=O)[*:1] Cc1c(cccc1Oc1ccnc(c1)[*:1])OC(=O)/C=C/C1CC1
CNC(=O)c1cc(Oc2cccc(OC(=O)/C=C/C3CC3)c2C)ccn1 C(=C[*:1])C1CC1 CNC(=O)c1cc(ccn1)Oc1cccc(OC(=O)[*:1])c1C
COc1cc(C#N)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1C FC(F)(F)[*:1] COc1cc(C#N)ccc1OCC(=O)Nc1cc(ccc1C)[*:1]
C[C@H](NC(=O)CSC[C@H](C)CO)c1ccc(F)cc1 C[C@H](CO)C[*:1] C[C@H](NC(=O)CS[*:1])c1ccc(F)cc1
C[C@H](NC(=O)CSC[C@H](C)CO)c1ccc(F)cc1 C[C@H](CO)[*:1] C[C@H](NC(=O)CSC[*:1])c1ccc(F)cc1
C[C@H](NC(=O)CSC[C@H](C)CO)c1ccc(F)cc1 C[C@H](CO)CS[*:1] C[C@H](NC(=O)C[*:1])c1ccc(F)cc1
c1ccc(C[C@@H]2C[NH2+]CCC23Cc2ccccc2C3)cc1 c1ccc(cc1)C[*:1] c1ccc2CC3(CC[NH2+]C[C@H]3[*:1])Cc2c1
c1ccc(C[C@@H]2C[NH2+]CCC23Cc2ccccc2C3)cc1 c1ccc(cc1)[*:1] c1ccc2CC3(CC[NH2+]C[C@H]3C[*:1])Cc2c1
O=C1CNC(=O)N1CCSCc1ccco1 c1coc(c1)[*:1] O=C1CNC(=O)N1CCSC[*:1]
N#Cc1ccc(NC(=O)N(Cc2cccc(O)c2)C2CC2)cc1 Oc1cccc(c1)[*:1] N#Cc1ccc(cc1)NC(=O)N(C[*:1])C1CC1
N#Cc1ccc(NC(=O)N(Cc2cccc(O)c2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)NC(=O)N(Cc1cccc(O)c1)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)Cc2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)C[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)Cc2c(C)noc2C)cc1 Cc1ccc(cc1)[*:1] Cc1noc(C)c1CC(=O)N(C)CC(=O)N[*:1]
CCOc1ccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(C)c1 c1ccc(nc1)[*:1] CCOc1ccc(NC(=O)C(=O)NC2CC[NH+](CC2)C[*:1])c(C)c1
CCOc1ccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(C)c1 c1ccc(C[*:1])nc1 CCOc1ccc(NC(=O)C(=O)NC2CC[NH+](CC2)[*:1])c(C)c1
CCOc1ccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)C(=O)NC1CC[NH+](CC1)Cc1ccccn1)[*:1]
C/C=C/COCC(CC)(CC)CS C/C=C/C[*:1] CCC(CC)(CS)CO[*:1]
C/C=C/COCC(CC)(CC)CS CC=C[*:1] CCC(CC)(CS)COC[*:1]
CCOC(=O)Nc1cccc(NCc2ncc(C(C)C)o2)c1C CC(C)[*:1] CCOC(=O)Nc1cccc(NCc2ncc(o2)[*:1])c1C
CCOC(=O)Nc1cccc(NCc2ncc(C(C)C)o2)c1C CCOC(=O)N[*:1] Cc1c(cccc1[*:1])NCc1ncc(o1)C(C)C
Cc1ccc([C@@](C)(CC(=O)[O-])[C@H](C)[NH3+])cc1F O=C([O-])C[*:1] Cc1ccc(cc1F)[C@@](C)([C@H](C)[NH3+])[*:1]
Cc1ccc([C@@](C)(CC(=O)[O-])[C@H](C)[NH3+])cc1F O=C([O-])[*:1] Cc1ccc(cc1F)[C@@](C)(C[*:1])[C@H](C)[NH3+]
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 O=C(N[*:1])[C@H]1CCCO1 Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)NC(=O)[C@H]1CCCO1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(cc1)NC(=O)[*:1]
COC[C@@H](C)N1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 O=[N+]([O-])[*:1] COC[C@@H](C)N1CCN(CC1)C(=O)c1c[nH]c2ccc(cc12)[*:1]
COC[C@@H](C)N1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 COC[*:1] C[C@@H](N1CCN(CC1)C(=O)c1c[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
COC[C@@H](C)N1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 COC[C@@H](C)[*:1] O=C(c1c[nH]c2ccc(cc12)[N+](=O)[O-])N1CCN(CC1)[*:1]
Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1OCC(=O)N[*:1])C(C)C
Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1 CC(C)[*:1] Cc1ccc(cc1OCC(=O)Nc1ccccc1)[*:1]
CCn1nc(C)c(NC(=O)N[C@H](c2ccccc2F)C2CCCC2)c1C Fc1ccccc1[*:1] CCn1nc(C)c(NC(=O)N[C@H](C2CCCC2)[*:1])c1C
CCn1nc(C)c(NC(=O)N[C@H](c2ccccc2F)C2CCCC2)c1C C1CCC(C1)[*:1] CCn1nc(C)c(NC(=O)N[C@H](c2ccccc2F)[*:1])c1C
CC(C)c1cc(C(=O)N(C)CCOc2ccccc2)on1 c1ccc(cc1)O[*:1] CC(C)c1cc(on1)C(=O)N(C)CC[*:1]
CC(C)c1cc(C(=O)N(C)CCOc2ccccc2)on1 CC(C)[*:1] CN(CCOc1ccccc1)C(=O)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)N(C)CCOc2ccccc2)on1 c1ccc(cc1)[*:1] CC(C)c1cc(on1)C(=O)N(C)CCO[*:1]
CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 CCC[*:1] O=C(N[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 CCCNC(=O)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1[*:1]
CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCNC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1nn(CCO)c2ncc(C(=O)c3cc(Cl)cc(Cl)c3O)cc12 OCC[*:1] Cc1nn(c2ncc(cc12)C(=O)c1cc(Cl)cc(Cl)c1O)[*:1]
COc1ccc(C(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 c1csc(c1)[*:1] COc1ccc(cc1)C(=O)N(C)[C@@H](c1c[nH]c2ccccc12)[*:1]
COc1ccc(C(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1)C(=O)N(C)[C@@H](c1cccs1)[*:1]
COc1ccc(C(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 COc1ccc(cc1)[*:1] CN(C(=O)[*:1])[C@@H](c1cccs1)c1c[nH]c2ccccc12
Cc1nn(C)c2ncc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc12 c1ccc(cc1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)[C@@H](S[*:1])c1ccccc1
Cc1nn(C)c2ncc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc12 c1ccc(cc1)S[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)[C@@H](c1ccccc1)[*:1]
Cc1nn(C)c2ncc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc12 c1ccc(cc1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)[C@@H](Sc1ccccc1)[*:1]
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/[C@H]2C=NN=C2c2ccccc2)cc1 Cc1ccc(cc1)[C@H](C)[*:1] N#C/C(=C\[C@H]1C=NN=C1c1ccccc1)C(=O)N[*:1]
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/[C@H]2C=NN=C2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](C)NC(=O)/C(C#N)=C/[C@H]1C=NN=C1[*:1]
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/[C@H]2C=NN=C2c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)/C(C#N)=C/[C@H]1C=NN=C1c1ccccc1)[*:1]
Cc1cccc(NC(=O)CCNC(=O)c2cc(C)oc2C)n1 Cc1cccc(n1)[*:1] Cc1cc(C(=O)NCCC(=O)N[*:1])c(C)o1
Cc1cccc(NC(=O)CCNC(=O)c2cc(C)oc2C)n1 Cc1cc(c(C)o1)[*:1] Cc1cccc(n1)NC(=O)CCNC(=O)[*:1]
CC(C)Cn1cc[nH+]c(N2C[C@H]3CC[C@@H]2C3)c1=O CC(C)C[*:1] O=c1c([nH+]ccn1[*:1])N1C[C@H]2CC[C@@H]1C2
CC(C)Cn1cc[nH+]c(N2C[C@H]3CC[C@@H]2C3)c1=O CC(C)[*:1] O=c1c([nH+]ccn1C[*:1])N1C[C@H]2CC[C@@H]1C2
CN1CCN(c2ncc(C[NH2+]C(C)(C)C)s2)C(C)(C)C1=O CC(C)(C)[*:1] CN1CCN(c2ncc(C[NH2+][*:1])s2)C(C)(C)C1=O
Cc1n[nH]cc1CNc1ccc(C(C)(C)C)cc1 Cc1n[nH]cc1[*:1] CC(C)(C)c1ccc(cc1)NC[*:1]
Cc1n[nH]cc1CNc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1n[nH]cc1CNc1ccc(cc1)[*:1]
O=C(C[S@](=O)Cc1cn2ccccc2n1)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(C[S@](=O)Cc1cn2ccccc2n1)NC[*:1]
O=C(C[S@](=O)Cc1cn2ccccc2n1)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[S@](=O)Cc1cn2ccccc2n1)NCC[*:1]
CN(Cc1ccc(Cl)nc1)C(=O)CCc1nnc(-c2ccsc2)o1 Clc1ccc(cn1)[*:1] CN(C[*:1])C(=O)CCc1nnc(o1)-c1ccsc1
CN(Cc1ccc(Cl)nc1)C(=O)CCc1nnc(-c2ccsc2)o1 c1cc(cs1)[*:1] CN(Cc1ccc(Cl)nc1)C(=O)CCc1nnc(o1)[*:1]
CN(Cc1ccc(Cl)nc1)C(=O)CCc1nnc(-c2ccsc2)o1 Clc1ccc(cn1)C[*:1] CN(C(=O)CCc1nnc(o1)-c1ccsc1)[*:1]
Cc1ccc([C@H]2CN(CCN3C(=O)c4ccccc4C3=O)CCO2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1c2ccccc2C(=O)N1CCN1CCO[C@H](C1)[*:1]
CCN(c1cccc(C)c1)c1ccc(S(=O)(=O)N(C)C)cn1 CN(C)S(=O)(=O)[*:1] CCN(c1cccc(C)c1)c1ccc(cn1)[*:1]
CCN(c1cccc(C)c1)c1ccc(S(=O)(=O)N(C)C)cn1 Cc1cccc(c1)[*:1] CCN(c1ccc(cn1)S(=O)(=O)N(C)C)[*:1]
CCC[C@H](C#N)[C@@H](O)c1ccc(C(F)(F)F)cc1 CCC[*:1] N#C[C@H]([C@@H](O)c1ccc(cc1)C(F)(F)F)[*:1]
CCC[C@H](C#N)[C@@H](O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCC[C@H](C#N)[C@@H](O)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]Cc1cnc(-c2ccccn2)s1)C(C)(C)C c1ccc(nc1)[*:1] C[C@@H]([NH2+]Cc1cnc(s1)[*:1])C(C)(C)C
C[C@@H]([NH2+]Cc1cnc(-c2ccccn2)s1)C(C)(C)C CC(C)(C)[*:1] C[C@@H]([NH2+]Cc1cnc(s1)-c1ccccn1)[*:1]
CC[C@H](C#N)NC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] CC[C@H](C#N)NC(=O)c1ccnc(c1)O[*:1]
CC[C@H](C#N)NC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] CC[C@H](C#N)NC(=O)c1ccnc(c1)[*:1]
CCN(CC)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 CCN(CC)C(=O)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1ccccc1)[*:1]
CCN(CC)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)CN(c1ccccc1)S(=O)(=O)[*:1]
CCN(CC)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccccc1
CCN(CC)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)CN(S(=O)(=O)c1ccc(C)cc1)[*:1]
CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N[C@H]1c1ccco1 c1coc(c1)[*:1] CCOC(=O)[C@@H]1C(=O)N=C(N[C@@H]1[*:1])N1CCCCC1
CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N[C@H]1c1ccco1 CCOC(=O)[*:1] O=C1N=C(N[C@@H](c2ccco2)[C@@H]1[*:1])N1CCCCC1
C[C@H]1C[C@@H]1NC(=O)NC[C@@H](C)N1CCc2ccccc21 C[C@H]1C[C@H]1[*:1] C[C@H](CNC(=O)N[*:1])N1CCc2ccccc21
O=C(/C=C/c1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1Cl)Nc1ccc(cc1Cl)[*:1]
O=C(/C=C/c1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl Clc1ccccc1[*:1] O=C(C=C[*:1])Nc1ccc(cc1Cl)[N+](=O)[O-]
O[C@@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCOC1 C1CCC(CC1)[*:1] O[C@]1(CCOC1)C[NH2+]C1CCN(CC1)[*:1]
Cc1nc(CN2CCOC[C@H]2C2CC2)oc1C C1CC1[*:1] Cc1nc(CN2CCOC[C@@H]2[*:1])oc1C
CC(C)(c1ccccc1)[C@H](OC(=O)C[C@@H]1COC(=O)C1)C(F)(F)F FC(F)(F)[*:1] CC(C)(c1ccccc1)[C@H](OC(=O)C[C@@H]1COC(=O)C1)[*:1]
CC(C)(c1ccccc1)[C@H](OC(=O)C[C@@H]1COC(=O)C1)C(F)(F)F c1ccc(cc1)[*:1] CC(C)([C@H](OC(=O)C[C@@H]1COC(=O)C1)C(F)(F)F)[*:1]
CC(C)(c1ccccc1)[C@H](OC(=O)C[C@@H]1COC(=O)C1)C(F)(F)F O=C1C[C@@H](CO1)[*:1] CC(C)(c1ccccc1)[C@H](OC(=O)C[*:1])C(F)(F)F
CC(=O)CCc1ccc(OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)CC[*:1])N1CCO[C@@H]2CCCC[C@H]21
CC(=O)CCc1ccc(OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 CC(=O)CC[*:1] O=C(COc1ccc(cc1)[*:1])N1CCO[C@@H]2CCCC[C@H]21
CC(=O)CCc1ccc(OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 CC(=O)C[*:1] O=C(COc1ccc(cc1)C[*:1])N1CCO[C@@H]2CCCC[C@H]21
CNC(=O)c1ccc(CNC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1 CNC(=O)[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1ccc(cc1)[*:1]
CNC(=O)c1ccc(CNC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1 CC(=O)N[*:1] CNC(=O)c1ccc(cc1)CNC(=O)C(=Cc1ccccc1)[*:1]
CNC(=O)c1ccc(CNC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)CNC(=O)C(=C[*:1])NC(C)=O
COC(=O)[C@@H](N)CC(=O)OC(C)(C)C COC(=O)[*:1] CC(C)(C)OC(=O)C[C@H](N)[*:1]
COC(=O)[C@@H](N)CC(=O)OC(C)(C)C CC(C)(C)[*:1] COC(=O)[C@@H](N)CC(=O)O[*:1]
CCC(CC)[C@@H](O)[C@H]1CCc2ccccc2C1 CCC(CC)[*:1] O[C@@H]([C@H]1CCc2ccccc2C1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 CC(=O)N[*:1] O=C1C[C@H](CN1c1ccc(F)cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
O=C(Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1)NCC(F)(F)F c1nc2ccc(cc2s1)[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])NCC(F)(F)F
O=C(Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1)NCC(F)(F)F O=C(C[*:1])NCC(F)(F)F O=C(Nc1ccc(cc1)[*:1])c1ccc2ncsc2c1
O=C(Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc2ncsc2c1
O=C(Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccc2ncsc2c1)N[*:1]
O=C(Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1)NCC(F)(F)F FC(F)(F)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccc2ncsc2c1)NC[*:1]
CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)CCc3ccccn3)C2)c1 CC(C)[*:1] O=C(c1cccc(c1)O[*:1])[C@@H]1CCCN(C1)C(=O)CCc1ccccn1
CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)CCc3ccccn3)C2)c1 CC(C)O[*:1] O=C(c1cccc(c1)[*:1])[C@@H]1CCCN(C1)C(=O)CCc1ccccn1
CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)CCc3ccccn3)C2)c1 c1ccc(C[*:1])nc1 CC(C)Oc1cccc(c1)C(=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)CCc3ccccn3)C2)c1 c1ccc(nc1)[*:1] CC(C)Oc1cccc(c1)C(=O)[C@@H]1CCCN(C1)C(=O)CC[*:1]
CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)CCc3ccccn3)C2)c1 c1ccc(CC[*:1])nc1 CC(C)Oc1cccc(c1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
C[NH+](CC(=O)NC(C)(C)C)C1CCC2(CC1)OCCO2 CC(C)(C)[*:1] C[NH+](CC(=O)N[*:1])C1CCC2(CC1)OCCO2
CSc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCCN2CCCC2=O)cc1 CSc1ccc(cc1)[*:1] O=C1CCCN1CCCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1[*:1]
CSc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCCN2CCCC2=O)cc1 O=C1CCCN1C[*:1] CSc1ccc(cc1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)CC[*:1]
CSc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCCN2CCCC2=O)cc1 O=C1CCCN1[*:1] CSc1ccc(cc1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)CCC[*:1]
CSc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCCN2CCCC2=O)cc1 O=C1CCCN1CCC[*:1] CSc1ccc(cc1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
CSc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCCN2CCCC2=O)cc1 O=C1CCCN1CC[*:1] CSc1ccc(cc1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)C[*:1]
COc1cc(CNC(=O)C(C)C)ccc1OC[C@@H]1CCCO1 CC(C)[*:1] COc1cc(ccc1OC[C@@H]1CCCO1)CNC(=O)[*:1]
COc1cc(CNC(=O)C(C)C)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] COc1cc(ccc1[*:1])CNC(=O)C(C)C
COc1cc(CNC(=O)C(C)C)ccc1OC[C@@H]1CCCO1 CC(C)C(=O)NC[*:1] COc1cc(ccc1OC[C@@H]1CCCO1)[*:1]
COc1cc(CNC(=O)C(C)C)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1cc(ccc1OC[*:1])CNC(=O)C(C)C
COc1cc(CNC(=O)C(C)C)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] COc1cc(ccc1O[*:1])CNC(=O)C(C)C
COc1cc(CNC(=O)C(C)C)ccc1OC[C@@H]1CCCO1 CC(C)C(=O)N[*:1] COc1cc(ccc1OC[C@@H]1CCCO1)C[*:1]
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(cc1)CNS(=O)(=O)[*:1]
CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1Cl CNC(=O)[*:1] O=S(=O)([N-]c1cc(Cl)ccc1[*:1])c1ccccc1Cl
CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1Cl Clc1ccccc1[*:1] CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)[*:1]
CCC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)c1 COc1ccc(cc1)[*:1] CCC(=O)Nc1cccc(c1)C(=O)Nc1ccccc1C(=O)N[*:1]
CCC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)c1 CCC(=O)N[*:1] COc1ccc(cc1)NC(=O)c1ccccc1NC(=O)c1cccc(c1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(Cc2ccsc2)CC1 O=C(N[*:1])c1ccoc1 C[C@H](C(=O)N1CCN(CC1)Cc1ccsc1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(Cc2ccsc2)CC1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCN(CC1)Cc1ccsc1
C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)C[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(CC1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(CC1)C[*:1]
O=C(NCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)[C@H]1CC(=O)N(c2ccccc2)C1 O=[N+]([O-])c1ccccc1[*:1] O=C(NCC[NH+]1CCN(CC1)C(=O)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)[C@H]1CC(=O)N(c2ccccc2)C1 O=[N+]([O-])[*:1] O=C(NCC[NH+]1CCN(CC1)C(=O)c1ccccc1[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CNC(=O)N[C@H](C)CN2CCOCC2)n1C Cc1ccc(n1C)[*:1] C[C@H](CN1CCOCC1)NC(=O)NC[*:1]
Cc1ccc(CNC(=O)N[C@H](C)CN2CCOCC2)n1C C1CN(CCO1)C[*:1] Cc1ccc(CNC(=O)N[C@H](C)[*:1])n1C
Cc1ccc(CNC(=O)N[C@H](C)CN2CCOCC2)n1C C1CN(CCO1)[*:1] Cc1ccc(CNC(=O)N[C@H](C)C[*:1])n1C
C#Cc1cccc(N(Cc2ccco2)C(=O)COCC)c1 CCO[*:1] C#Cc1cccc(c1)N(Cc1ccco1)C(=O)C[*:1]
C#Cc1cccc(N(Cc2ccco2)C(=O)COCC)c1 CCOC[*:1] C#Cc1cccc(c1)N(Cc1ccco1)C(=O)[*:1]
C#Cc1cccc(N(Cc2ccco2)C(=O)COCC)c1 c1coc(c1)C[*:1] C#Cc1cccc(c1)N(C(=O)COCC)[*:1]
C#Cc1cccc(N(Cc2ccco2)C(=O)COCC)c1 c1coc(c1)[*:1] C#Cc1cccc(c1)N(C[*:1])C(=O)COCC
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cc1n[nH]c(=O)c2ccccc12 Fc1ccc(cc1)C[*:1] C[NH+](C)CCN(C(=O)Cc1n[nH]c(=O)c2ccccc12)[*:1]
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Cc1n[nH]c(=O)c2ccccc12 Fc1ccc(cc1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Cc1n[nH]c(=O)c2ccccc12
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1C O=C(OC[C@H]1CCCO1)[*:1] CC1=C([C@@H](NC(=O)N1C)c1ccc(cc1)C(F)(F)F)[*:1]
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1C C1CO[C@H](C1)[*:1] CC1=C(C(=O)OC[*:1])[C@@H](NC(=O)N1C)c1ccc(cc1)C(F)(F)F
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1C FC(F)(F)[*:1] CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](NC(=O)N1C)c1ccc(cc1)[*:1]
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1C C1CO[C@H](C1)C[*:1] CC1=C(C(=O)O[*:1])[C@@H](NC(=O)N1C)c1ccc(cc1)C(F)(F)F
Cc1ccc(SC/C([O-])=N/S(=O)(=O)c2ccccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1S(=O)(=O)/N=C(\[O-])CS[*:1]
Cc1ccc(SC/C([O-])=N/S(=O)(=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)SC/C([O-])=N/S(=O)(=O)[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)Cc3cccc(OC(C)C)c3)c2)n1 CC(C)O[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)Cc1cccc(c1)[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)Cc3cccc(OC(C)C)c3)c2)n1 Cc1n[nH]c(n1)[*:1] CC(C)Oc1cccc(c1)CC(=O)NCc1cccc(c1)[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)Cc3cccc(OC(C)C)c3)c2)n1 CC(C)[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)Cc1cccc(c1)O[*:1]
CCC(=O)c1ccc(OCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] CCC(=O)c1ccc(cc1)OCC(=O)N1CCC[C@@H]1[*:1]
CCC(=O)c1ccc(OCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 CCC(=O)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)COc1ccc(cc1)[*:1]
CC(C)(C)[C@H](NC(=O)c1ccc(C#N)cn1)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NC(=O)c1ccc(C#N)cn1)[*:1]
CC(C)(C)[C@H](NC(=O)c1ccc(C#N)cn1)C(N)=O CC(C)(C)[*:1] N#Cc1ccc(nc1)C(=O)N[C@H](C(N)=O)[*:1]
COC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H]1c1ccccc1 COC(=O)[*:1] CC(C)(C[NH2+][C@@H]1C[C@H]1c1ccccc1)[*:1]
COC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H]1[*:1]
CC(C)C[C@H]1COCCN1CC(=O)NC(=O)NC(C)(C)C CC(C)[*:1] CC(C)(C)NC(=O)NC(=O)CN1CCOC[C@@H]1C[*:1]
CC(C)C[C@H]1COCCN1CC(=O)NC(=O)NC(C)(C)C CC(C)C[*:1] CC(C)(C)NC(=O)NC(=O)CN1CCOC[C@@H]1[*:1]
CC(C)C[C@H]1COCCN1CC(=O)NC(=O)NC(C)(C)C CC(C)(C)[*:1] CC(C)C[C@H]1COCCN1CC(=O)NC(=O)N[*:1]
CCC(=O)N1N/C(=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2[O-])C[C@H]1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CCC(=O)N1N/C(C[C@@H]1[*:1])=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1[O-]
CCC(=O)N1N/C(=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2[O-])C[C@H]1c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] CCC(=O)N1N/C(C[C@H]1c1ccc2OCOc2c1)=C1\C(=O)N(C[*:1])C(=O)N=C1[O-]
CCC(=O)N1N/C(=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2[O-])C[C@H]1c1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] CCC(=O)N1N/C(C[C@H]1c1ccc2OCOc2c1)=C1\C(=O)N(C(=O)N=C1[O-])[*:1]
C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)N[C@@H](C)Cn3cncn3)CC2)C1 c1ncn(n1)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)CN1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)N[C@@H](C)Cn3cncn3)CC2)C1 c1ncn(C[*:1])n1 C[C@H]1CCC[C@@H](C1)NC(=O)CN1CCN(CC1)C(=O)N[C@@H](C)[*:1]
COCCn1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cn1 COC[*:1] Cc1nc(SCC(=O)Nc2cnn(c2)C[*:1])c(C#N)c(C)c1C
COCCn1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cn1 COCC[*:1] Cc1nc(SCC(=O)Nc2cnn(c2)[*:1])c(C#N)c(C)c1C
C[C@H](c1ccc(F)c(F)c1)[S@](=O)Cc1nnnn1C1CC1 C1CC1[*:1] C[C@H](c1ccc(F)c(F)c1)[S@](=O)Cc1nnnn1[*:1]
C#CCNCC(=O)NC[C@@H](C)CO C[C@@H](CO)[*:1] C#CCNCC(=O)NC[*:1]
C#CCNCC(=O)NC[C@@H](C)CO C#CCN[*:1] C[C@@H](CO)CNC(=O)C[*:1]
C#CCNCC(=O)NC[C@@H](C)CO C#CC[*:1] C[C@@H](CO)CNC(=O)CN[*:1]
C#CCCCOC(=O)c1ccc2c(c1)NC(=O)CCN2C C#CCC[*:1] CN1CCC(=O)Nc2cc(ccc21)C(=O)OC[*:1]
C#CCCCOC(=O)c1ccc2c(c1)NC(=O)CCN2C C#CC[*:1] CN1CCC(=O)Nc2cc(ccc21)C(=O)OCC[*:1]
C#CCCCOC(=O)c1ccc2c(c1)NC(=O)CCN2C C#CCCC[*:1] CN1CCC(=O)Nc2cc(ccc21)C(=O)O[*:1]
[NH3+][C@H]1CCC[C@@H]1CCSc1n[nH]c(=O)n1C1CC1 C1CC1[*:1] [NH3+][C@H]1CCC[C@@H]1CCSc1n[nH]c(=O)n1[*:1]
CCNC(=O)Nc1cc(-c2ccccc2C)nn1C CCNC(=O)N[*:1] Cc1ccccc1-c1cc(n(C)n1)[*:1]
c1ccc(-c2ccc(NCc3ccc4c(c3)OCO4)nn2)cc1 c1ccc(cc1)[*:1] c1cc2OCOc2cc1CNc1ccc(nn1)[*:1]
CC(=O)NCCOc1ccc(C)c(C)c1 CC(=O)NC[*:1] Cc1ccc(cc1C)OC[*:1]
CC(=O)NCCOc1ccc(C)c(C)c1 CC(=O)N[*:1] Cc1ccc(cc1C)OCC[*:1]
CN[C@]1(C#N)CCC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CN[C@]1(C#N)CCC[C@H](C1)Oc1cc(F)ccc1[*:1]
CC[C@H](NC(=O)N1CC[C@H](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)N1CC[C@H](C)[C@@H]1C)c1cccc(c1)[*:1]
C[C@H](OC(=O)c1ccoc1)c1nc2ccccc2n1C c1cc(co1)[*:1] C[C@H](OC(=O)[*:1])c1nc2ccccc2n1C
COc1ccc(-c2onc(C(=O)c3ccc([N+](=O)[O-])cc3)c2S(=O)(=O)c2ccccc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1onc(C(=O)c2ccc(cc2)[*:1])c1S(=O)(=O)c1ccccc1
COc1ccc(-c2onc(C(=O)c3ccc([N+](=O)[O-])cc3)c2S(=O)(=O)c2ccccc2)cc1 O=S(=O)(c1ccccc1)[*:1] COc1ccc(cc1)-c1onc(C(=O)c2ccc(cc2)[N+](=O)[O-])c1[*:1]
COc1ccc(-c2onc(C(=O)c3ccc([N+](=O)[O-])cc3)c2S(=O)(=O)c2ccccc2)cc1 O=C(c1ccc(cc1)[N+](=O)[O-])[*:1] COc1ccc(cc1)-c1onc(c1S(=O)(=O)c1ccccc1)[*:1]
COc1ccc(-c2onc(C(=O)c3ccc([N+](=O)[O-])cc3)c2S(=O)(=O)c2ccccc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)-c1onc(C(=O)[*:1])c1S(=O)(=O)c1ccccc1
COc1ccc(-c2onc(C(=O)c3ccc([N+](=O)[O-])cc3)c2S(=O)(=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])c1noc(c1S(=O)(=O)c1ccccc1)[*:1]
COc1ccc(-c2onc(C(=O)c3ccc([N+](=O)[O-])cc3)c2S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1onc(C(=O)c2ccc(cc2)[N+](=O)[O-])c1S(=O)(=O)[*:1]
CC[C@H](O)[C@@]1(C#N)CCC[C@H](C)C1 CC[C@H](O)[*:1] C[C@H]1CCC[C@](C#N)(C1)[*:1]
COC(=O)/C=C/C(=O)Nc1cc(C)cc(C)c1 COC(=O)[*:1] Cc1cc(C)cc(c1)NC(=O)C=C[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 CCOC(=O)[*:1] O=C(c1ccco1)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 c1coc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CSc1nnc(S[C@H](C(=O)Nc2ccc(C)c(C)c2)C(C)C)s1 CC(C)[*:1] CSc1nnc(S[C@H](C(=O)Nc2ccc(C)c(C)c2)[*:1])s1
CSc1nnc(S[C@H](C(=O)Nc2ccc(C)c(C)c2)C(C)C)s1 CSc1nnc(s1)[*:1] Cc1ccc(cc1C)NC(=O)[C@@H](S[*:1])C(C)C
CCN(C)S(=O)(=O)NCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CCN(C)S(=O)(=O)NCc1ccc(cc1)[*:1]
Cc1csc([C@@H](NC(=O)N2CCOC[C@H]2C2CC2)C2CC2)n1 Cc1csc(n1)[*:1] O=C(N[C@@H](C1CC1)[*:1])N1CCOC[C@H]1C1CC1
Cc1csc([C@@H](NC(=O)N2CCOC[C@H]2C2CC2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)N1CCOC[C@H]1C1CC1)[*:1]
Cc1csc([C@@H](NC(=O)N2CCOC[C@H]2C2CC2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)N1CCOC[C@@H]1[*:1])C1CC1
O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 O=C(Nc1ccccc1)[*:1] FC(F)(F)c1nnc2ccc(nn12)N1CCC[C@@H](C1)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)c1ccc2nnc(n2n1)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc2nnc(n2n1)C(F)(F)F
CC(C)C[NH2+]C[C@H]1CCCO[C@H]1[C@H]1CC=CCC1 CC(C)C[*:1] C1=CC[C@@H](CC1)[C@@H]1OCCC[C@@H]1C[NH2+][*:1]
CC(C)C[NH2+]C[C@H]1CCCO[C@H]1[C@H]1CC=CCC1 CC(C)[*:1] C1=CC[C@@H](CC1)[C@@H]1OCCC[C@@H]1C[NH2+]C[*:1]
Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)n1 Cc1csc(n1)[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)OCC(=O)[C@H](C#N)[*:1]
CCC[NH2+][C@H](c1[nH]cc[nH+]1)[C@H]1CCOC2(CCSCC2)C1 CCC[*:1] c1c[nH+]c([nH]1)[C@@H]([NH2+][*:1])[C@H]1CCOC2(CCSCC2)C1
CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1 CCc1ccc(cc1)[*:1] O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)N[*:1]
CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1 c1coc(c1)C[*:1] CCc1ccc(cc1)NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
Cc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)O[*:1]
Cc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 Cc1ccccc1[*:1] O=C(Nc1ccc(cc1)Oc1ccccc1)[*:1]
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCOC[C@H]2C2CC2)n1 C1CC1[*:1] Cc1cc(C)nc(n1)-n1nc(C)cc1NC(=O)CN1CCOC[C@@H]1[*:1]
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCOC[C@H]2C2CC2)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(NC(=O)CN2CCOC[C@H]2C2CC2)n(n1)[*:1]
CC1CC(NC(=O)C2(c3ccc(F)cc3F)CCCC2)C1 CC1CC(C1)[*:1] O=C(N[*:1])C1(CCCC1)c1ccc(F)cc1F
CC(=O)C[C@@H]1CCCCN1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC(=O)C[C@@H]1CCCCN1C(=O)N[*:1]
CC(=O)C[C@@H]1CCCCN1C(=O)NC1CCCCC1 CC(=O)C[*:1] O=C(NC1CCCCC1)N1CCCC[C@H]1[*:1]
CC(=O)C[C@@H]1CCCCN1C(=O)NC1CCCCC1 CC(=O)[*:1] O=C(NC1CCCCC1)N1CCCC[C@H]1C[*:1]
COC[C@](C)(NC(=O)NCc1cc(=O)[nH]c2ccccc12)c1ccccc1 COC[*:1] C[C@](NC(=O)NCc1cc(=O)[nH]c2ccccc12)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)NCc1cc(=O)[nH]c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)NCc1cc(=O)[nH]c2ccccc12)[*:1]
O=C([O-])COc1ccccc1/C=N/NC(=O)C1CC1 C1CC1[*:1] O=C([O-])COc1ccccc1/C=N/NC(=O)[*:1]
O=C([O-])COc1ccccc1/C=N/NC(=O)C1CC1 O=C([O-])CO[*:1] O=C(N/N=C/c1ccccc1[*:1])C1CC1
O=C([O-])COc1ccccc1/C=N/NC(=O)C1CC1 O=C([O-])C[*:1] O=C(N/N=C/c1ccccc1O[*:1])C1CC1
O=C([O-])COc1ccccc1/C=N/NC(=O)C1CC1 O=C([O-])[*:1] O=C(N/N=C/c1ccccc1OC[*:1])C1CC1
COc1c(/C=N\NC(N)=S)c(C[C@@H](C)Cl)c(OC)c2c1OCO2 NC(=S)NN=C[*:1] COc1c(C[C@@H](C)Cl)c(c(OC)c2OCOc12)[*:1]
Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)n[nH]1 Cc1nn(C)c(C)c1[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1cc([nH]n1)[*:1]
O=C(NC[C@@H]1CCCO1)Nc1cnn(Cc2ccccc2)c1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])Nc1cnn(c1)Cc1ccccc1
O=C(NC[C@@H]1CCCO1)Nc1cnn(Cc2ccccc2)c1 C1CO[C@@H](C1)C[*:1] O=C(Nc1cnn(c1)Cc1ccccc1)N[*:1]
O=C(NC[C@@H]1CCCO1)Nc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1CCCO1)Nc1cnn(c1)[*:1]
O=C(NC[C@@H]1CCCO1)Nc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)Nc1cnn(c1)C[*:1]
CC[C@H](C)[C@@H]1CCCC[C@H]([NH2+]C)C1 CC[C@H](C)[*:1] C[NH2+][C@H]1CCCC[C@H](C1)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1cc(F)cc(Br)c1 C[C@H](C#N)C[*:1] CCN(C(=O)Nc1cc(F)cc(Br)c1)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1cc(F)cc(Br)c1 C[C@H](C#N)[*:1] CCN(C[*:1])C(=O)Nc1cc(F)cc(Br)c1
CC1(C)CCCN(C(=O)NCc2cscn2)CC1 c1nc(cs1)C[*:1] CC1(C)CCCN(CC1)C(=O)N[*:1]
CC1(C)CCCN(C(=O)NCc2cscn2)CC1 c1nc(cs1)[*:1] CC1(C)CCCN(CC1)C(=O)NC[*:1]
C[C@@]1(C(=O)[O-])CCCCCC[C@@H]1O O=C([O-])[*:1] C[C@]1(CCCCCC[C@@H]1O)[*:1]
Cc1ncsc1CNc1ncnc2c1CCCCC2 Cc1ncsc1[*:1] c1nc2CCCCCc2c(n1)NC[*:1]
O=C(NCc1cccnc1)c1cc(-c2ccncc2)nc2ccccc12 c1cncc(c1)C[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccncc1
O=C(NCc1cccnc1)c1cc(-c2ccncc2)nc2ccccc12 c1cncc(c1)[*:1] O=C(NC[*:1])c1cc(nc2ccccc12)-c1ccncc1
O=C(NCc1cccnc1)c1cc(-c2ccncc2)nc2ccccc12 c1cc(ccn1)[*:1] O=C(NCc1cccnc1)c1cc(nc2ccccc12)[*:1]
CC(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CC(C)C[C@H](CO)Nc1ccc(cc1Cl)[*:1]
CC(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl CC(C)[*:1] O=[N+]([O-])c1ccc(N[C@@H](CO)C[*:1])c(Cl)c1
CC(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl CC(C)C[*:1] O=[N+]([O-])c1ccc(N[C@@H](CO)[*:1])c(Cl)c1
O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NC1CCCCC1 Clc1ccc(cc1)[*:1] O=C(Cn1c(=O)c(=O)n(C[*:1])c2ccccc21)NC1CCCCC1
O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N[*:1]
O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NC1CCCCC1 O=C(C[*:1])NC1CCCCC1 O=c1c(=O)n(c2ccccc2n1Cc1ccc(Cl)cc1)[*:1]
O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NC1CCCCC1 Clc1ccc(cc1)C[*:1] O=C(Cn1c(=O)c(=O)n(c2ccccc21)[*:1])NC1CCCCC1
O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=c1c(=O)n(C[*:1])c2ccccc2n1Cc1ccc(Cl)cc1
CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)C2CCCCC2)C1 C1CCC(CC1)[*:1] CCC(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)C2CCCCC2)C1 CCC(=O)N[*:1] C[C@@H](NC(=O)N1CCC[C@H](C1)[*:1])C1CCCCC1
NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1cnn(c1)[*:1]
NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1cnn(-c2ccccc2F)c1 NC(=O)[*:1] O=C(Nc1cnn(c1)-c1ccccc1F)N[C@@H]1CCC[C@H]1[*:1]
CCn1c(=O)n(-c2cc(Cl)ccc2C)c(=O)c2c3c(sc21)CN(C(C)=O)CC3 Cc1ccc(Cl)cc1[*:1] CCn1c(=O)n(c(=O)c2c3CCN(Cc3sc21)C(C)=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCN(CC1)c1cccc[nH+]1
Cn1cc(C(=O)OC[C@@]2(C)CCCO2)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(C(=O)OC[C@@]2(C)CCCO2)c(n1)[*:1]
COc1cc(OC)c(NC(=O)[C@H](C)c2ccc(Cl)s2)cc1F Clc1ccc(s1)[*:1] COc1cc(OC)c(cc1F)NC(=O)[C@H](C)[*:1]
CC1(C)CN([C@@H]2CCN(c3ccccc3Cl)C2=O)CC[S@@]1=O Clc1ccccc1[*:1] CC1(C)CN(CC[S@@]1=O)[C@@H]1CCN(C1=O)[*:1]
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1cccc2ccccc12 c1ccc(cc1)[*:1] C[NH+](C)C[C@H](C[*:1])NC(=O)Cc1cccc2ccccc12
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1cccc2ccccc12 c1ccc(cc1)C[*:1] C[NH+](C)C[C@H](NC(=O)Cc1cccc2ccccc12)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C CC[C@H](C)[*:1] C[C@@H](C[*:1])NC(=O)[C@@H]1CCC[NH2+][C@@H]1C
CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C CC[C@H](C)C[*:1] C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[*:1]
Cc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1C Cc1ccc(cc1C)[*:1] Cc1cccc(C)c1NC(=O)CN1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1C Cc1cccc(C)c1[*:1] Cc1ccc(cc1C)C(=O)N1CCN(CC1)CC(=O)N[*:1]
C[C@@H]([C@@H](C)N(C)Cc1ccc([N+](=O)[O-])c(O)c1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H]([C@@H](C)N(C)Cc1ccc(c(O)c1)[N+](=O)[O-])[*:1]
C[C@@H]([C@@H](C)N(C)Cc1ccc([N+](=O)[O-])c(O)c1)S(C)(=O)=O C[C@@H](S(C)(=O)=O)[*:1] C[C@@H](N(C)Cc1ccc(c(O)c1)[N+](=O)[O-])[*:1]
C[C@@H]([C@@H](C)N(C)Cc1ccc([N+](=O)[O-])c(O)c1)S(C)(=O)=O O=[N+]([O-])[*:1] C[C@@H]([C@@H](C)N(C)Cc1ccc(c(O)c1)[*:1])S(C)(=O)=O
CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc21 CC(C)[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)cc1OC CC(C)(C)C(=O)N[*:1] COc1ccc(cc1OC)NC(=O)c1oc2ccccc2c1[*:1]
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)NC(=O)c1oc2ccccc2c1NC(=O)[*:1]
COc1cc(C(=O)Nc2nccs2)ccc1OCCC(C)C CC(C)CC[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1nccs1
COc1cc(C(=O)Nc2nccs2)ccc1OCCC(C)C CC(C)C[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1nccs1
COc1cc(C(=O)Nc2nccs2)ccc1OCCC(C)C CC(C)CCO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1nccs1
COc1cc(C(=O)Nc2nccs2)ccc1OCCC(C)C CC(C)[*:1] COc1cc(ccc1OCC[*:1])C(=O)Nc1nccs1
COc1cc(C(=O)Nc2nccs2)ccc1OCCC(C)C c1csc(n1)[*:1] COc1cc(ccc1OCCC(C)C)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
COc1cc(Br)ccc1[C@H]([NH3+])C(=O)[O-] O=C([O-])[*:1] COc1cc(Br)ccc1[C@H]([NH3+])[*:1]
O=C(OCC1CC1)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] O=C(OCC1CC1)c1cnc(cn1)O[*:1]
O=C(OCC1CC1)c1cnc(Oc2ccccc2)cn1 C1CC1[*:1] O=C(OC[*:1])c1cnc(cn1)Oc1ccccc1
O=C(OCC1CC1)c1cnc(Oc2ccccc2)cn1 C1CC1C[*:1] O=C(O[*:1])c1cnc(cn1)Oc1ccccc1
CC1CC[NH+](CCNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)CC1 c1ccn2cc(nc2c1)[*:1] CC1CC[NH+](CCNC(=O)c2ccc(cc2)SC[*:1])CC1
O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] O=C(CCCn1c(=O)oc2ccccc21)N[*:1]
C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O Fc1ccccc1[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)COC[*:1])C1=O)c1ccc(F)cc1
C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O Fc1ccccc1C[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)CO[*:1])C1=O)c1ccc(F)cc1
C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O Fc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O)[*:1]
C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O Fc1ccccc1CO[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)C[*:1])C1=O)c1ccc(F)cc1
C[C@H](OC(=O)c1ccccc1I)c1nc2ccccc2c(=O)[nH]1 Ic1ccccc1[*:1] C[C@H](OC(=O)[*:1])c1nc2ccccc2c(=O)[nH]1
COC(=O)c1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 COC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)C(=O)NC[C@@H]1CCCN(S(=O)(=O)CCC2CC2)C1 C1CC1CC[*:1] CC(C)C(=O)NC[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CC(C)C(=O)NC[C@@H]1CCCN(S(=O)(=O)CCC2CC2)C1 CC(C)C(=O)N[*:1] O=S(=O)(CCC1CC1)N1CCC[C@H](C1)C[*:1]
CC(C)C(=O)NC[C@@H]1CCCN(S(=O)(=O)CCC2CC2)C1 C1CC1[*:1] CC(C)C(=O)NC[C@@H]1CCCN(C1)S(=O)(=O)CC[*:1]
CC(C)C(=O)NC[C@@H]1CCCN(S(=O)(=O)CCC2CC2)C1 C1CC1C[*:1] CC(C)C(=O)NC[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
CC(C)C(=O)NC[C@@H]1CCCN(S(=O)(=O)CCC2CC2)C1 CC(C)[*:1] O=C(NC[C@@H]1CCCN(C1)S(=O)(=O)CCC1CC1)[*:1]
CC(C)C(=O)NC[C@@H]1CCCN(S(=O)(=O)CCC2CC2)C1 CC(C)C(=O)NC[*:1] O=S(=O)(CCC1CC1)N1CCC[C@H](C1)[*:1]
Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@@H](C)[NH3+])CCO3)s1 Cc1ccc(s1)[*:1] C[C@@H]([NH3+])C(=O)N1CCOc2c(O)cc(cc2C1)[*:1]
CCC[NH2+][C@@H]1c2c(C)ccc(C)c2S(=O)(=O)[C@H](C)[C@@H]1C CCC[*:1] Cc1ccc(C)c2c1[C@@H]([NH2+][*:1])[C@@H](C)[C@@H](C)S2(=O)=O
O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 c1csc(c1)[*:1] O=C(NC[C@@H](S(=O)(=O)c1ccc(F)cc1)[*:1])c1ccc(Cl)cc1
O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)[*:1]
O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccs1)S(=O)(=O)[*:1])c1ccc(Cl)cc1
CC[C@@H](C(=O)N1CCN(c2cc(Cl)ccc2C)CC1)n1nc(C)n2c(cc3occc32)c1=O Cc1ccc(Cl)cc1[*:1] CC[C@@H](C(=O)N1CCN(CC1)[*:1])n1nc(C)n2c(cc3occc32)c1=O
CC[C@H](NC(=O)NCc1ccc(OC)nc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)NCc1ccc(nc1)OC)c1cccc(c1)[*:1]
CC[C@H](NC(=O)NCc1ccc(OC)nc1)c1cccc([N+](=O)[O-])c1 COc1ccc(cn1)[*:1] CC[C@H](NC(=O)NC[*:1])c1cccc(c1)[N+](=O)[O-]
COc1ccc([C@H](C)N(C)C(=O)c2cc(Cc3ccccc3Cl)no2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)c1cc(C[*:1])no1
COc1ccc([C@H](C)N(C)C(=O)c2cc(Cc3ccccc3Cl)no2)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)c1cc(no1)[*:1]
COc1ccc([C@H](C)N(C)C(=O)c2cc(Cc3ccccc3Cl)no2)cc1 COc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1cc(Cc2ccccc2Cl)no1)[*:1]
COc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c(cc1C)C(=O)[C@H](C)Sc1nnnn1[*:1]
COc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)cc1 Cc1cc(C)c(cc1C)[*:1] COc1ccc(cc1)-n1nnnc1S[C@@H](C)C(=O)[*:1]
CC(C)(C)c1ccc(SCC2(CS)CCOCC2)cc1 CC(C)(C)[*:1] SCC1(CCOCC1)CSc1ccc(cc1)[*:1]
Cc1ccc(F)cc1[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] CC(C)(C)[*:1] Cc1ccc(F)cc1[C@@H]1CCN(C[C@@H]1[NH3+])C(=O)O[*:1]
CC(C)c1nc(NC(=O)N2CCC(Nc3ccccc3F)CC2)n(C)n1 Fc1ccccc1[*:1] CC(C)c1nc(NC(=O)N2CCC(CC2)N[*:1])n(C)n1
CC(C)c1nc(NC(=O)N2CCC(Nc3ccccc3F)CC2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)N1CCC(CC1)Nc1ccccc1F)[*:1]
CC(C)c1nc(NC(=O)N2CCC(Nc3ccccc3F)CC2)n(C)n1 Fc1ccccc1N[*:1] CC(C)c1nc(NC(=O)N2CCC(CC2)[*:1])n(C)n1
O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(C(=O)C2=CCCCC2)C1 c1nc(cs1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN(C1)C(=O)C1=CCCCC1
CCCNc1cc(C)ccc1C(=O)N(CC)CC(F)(F)F CCCN[*:1] CCN(CC(F)(F)F)C(=O)c1ccc(C)cc1[*:1]
CCCNc1cc(C)ccc1C(=O)N(CC)CC(F)(F)F FC(F)(F)[*:1] CCCNc1cc(C)ccc1C(=O)N(CC)C[*:1]
CCCNc1cc(C)ccc1C(=O)N(CC)CC(F)(F)F CCC[*:1] CCN(CC(F)(F)F)C(=O)c1ccc(C)cc1N[*:1]
CCCNc1cc(C)ccc1C(=O)N(CC)CC(F)(F)F FC(F)(F)C[*:1] CCCNc1cc(C)ccc1C(=O)N(CC)[*:1]
CC(C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl CC(C)NC(=O)[*:1] CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CC(C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl CC(C)(C)[*:1] CC(C)NC(=O)c1cc(ccc1Cl)S(=O)(=O)N[*:1]
CC(C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl CC(C)[*:1] CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
Cc1cc(C)n(C[C@H](C)NS(=O)(=O)c2cn(C(C)C)cn2)n1 Cc1cc(C)n(n1)[*:1] CC(C)n1cnc(c1)S(=O)(=O)N[C@@H](C)C[*:1]
Cc1cc(C)n(C[C@H](C)NS(=O)(=O)c2cn(C(C)C)cn2)n1 CC(C)[*:1] Cc1cc(C)n(C[C@H](C)NS(=O)(=O)c2cn(cn2)[*:1])n1
COc1ccc(C)cc1-c1csc(NC(=O)COC2CCCC2)n1 C1CCC(C1)O[*:1] COc1ccc(C)cc1-c1csc(n1)NC(=O)C[*:1]
COc1ccc(C)cc1-c1csc(NC(=O)COC2CCCC2)n1 C1CCC(C1)OC[*:1] COc1ccc(C)cc1-c1csc(n1)NC(=O)[*:1]
COc1ccc(C)cc1-c1csc(NC(=O)COC2CCCC2)n1 C1CCC(C1)[*:1] COc1ccc(C)cc1-c1csc(n1)NC(=O)CO[*:1]
COc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[C@H]1C(C(=O)Nc2ccc(C)cc2C)=C(C)Nc2ncnn21
COc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[C@H]1C(C(=O)Nc2ccc(C)cc2C)=C(C)Nc2ncnn21
COc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)ccc1OC(C)C Cc1ccc(NC(=O)[*:1])c(C)c1 COc1cc(ccc1OC(C)C)[C@H]1C(=C(C)Nc2ncnn21)[*:1]
COc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)ccc1OC(C)C Cc1ccc(c(C)c1)[*:1] COc1cc(ccc1OC(C)C)[C@H]1C(C(=O)N[*:1])=C(C)Nc2ncnn21
COc1cccc2cc(C(=O)/C=C/c3ccccc3F)oc12 Fc1ccccc1[*:1] COc1cccc2cc(oc12)C(=O)C=C[*:1]
CC[C@H](Oc1ccc(C)nc1C[NH3+])C(=O)[O-] O=C([O-])[*:1] CC[C@H](Oc1ccc(C)nc1C[NH3+])[*:1]
O=C1c2ccc(Oc3cccc(NC(=O)C(F)(F)F)c3)cc2C(=O)N1C[C@H]1CCCO1 FC(F)(F)[*:1] O=C1c2ccc(cc2C(=O)N1C[C@H]1CCCO1)Oc1cccc(c1)NC(=O)[*:1]
O=C1c2ccc(Oc3cccc(NC(=O)C(F)(F)F)c3)cc2C(=O)N1C[C@H]1CCCO1 O=C(N[*:1])C(F)(F)F O=C1c2ccc(cc2C(=O)N1C[C@H]1CCCO1)Oc1cccc(c1)[*:1]
COc1ccc(OC)c([C@H]2OC(COc3ccc4c(c3)OCO4)=NN2C(C)=O)c1 c1cc2OCOc2cc1[*:1] COc1ccc(OC)c(c1)[C@H]1OC(CO[*:1])=NN1C(C)=O
CCn1c(-c2ccc(OC)cc2)ccc1[C@@H](O)C(F)(F)F FC(F)(F)[*:1] CCn1c(ccc1[C@@H](O)[*:1])-c1ccc(cc1)OC
C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 O[C@H](c1ccccc1)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(c(F)c1)S(C)(=O)=O
C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C[C@H](O)[*:1])c1ccc(c(F)c1)S(C)(=O)=O
C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1ccc(c(F)c1)[*:1]
C[C@H](C(=O)OCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)OCC(=O)N(C)[C@@H]1CCCc2ccccc21)[*:1]
C[C@H](C(=O)OCC(=O)N(C)[C@@H]1CCCc2ccccc21)c1cccs1 C[C@H](c1cccs1)[*:1] CN(C(=O)COC(=O)[*:1])[C@@H]1CCCc2ccccc21
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1F FC(F)(F)[*:1] Cc1ccc(cc1F)C(=O)NNc1cccc(c1)[*:1]
COc1ccc(OC)c([C@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)c1 C1CCC(C1)n1nnnc1[*:1] COc1ccc(OC)c(c1)[C@H](N1CCc2ccccc2C1)[*:1]
COc1ccc(OC)c([C@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)c1 c1ccc2CN(CCc2c1)[*:1] COc1ccc(OC)c(c1)[C@H](c1nnnn1C1CCCC1)[*:1]
COc1ccc(OC)c([C@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)c1 COc1ccc(OC)c(c1)[*:1] c1ccc2CN(CCc2c1)[C@@H](c1nnnn1C1CCCC1)[*:1]
COc1ccc(OC)c([C@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)c1 C1CCC(C1)[*:1] COc1ccc(OC)c(c1)[C@H](c1nnnn1[*:1])N1CCc2ccccc2C1
C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
C[C@H](O)C[C@H]1CCCN1C(=O)NCC1(C)Cc2ccccc2C1 C[C@H](O)C[*:1] CC1(CNC(=O)N2CCC[C@@H]2[*:1])Cc2ccccc2C1
C[C@H](O)C[C@H]1CCCN1C(=O)NCC1(C)Cc2ccccc2C1 C[C@H](O)[*:1] CC1(CNC(=O)N2CCC[C@@H]2C[*:1])Cc2ccccc2C1
O=C(NCCc1nnc2ccccn12)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NCCc1nnc2ccccn12)NC[*:1]
O=C(NCCc1nnc2ccccn12)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(NCCc1nnc2ccccn12)N[*:1]
CC1CCN(C(=O)c2ccccc2NC(=O)NCCc2cccs2)CC1 c1csc(c1)[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=O)NCC[*:1]
CC1CCN(C(=O)c2ccccc2NC(=O)NCCc2cccs2)CC1 c1csc(c1)CC[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=O)N[*:1]
CC1CCN(C(=O)c2ccccc2NC(=O)NCCc2cccs2)CC1 c1csc(c1)C[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=O)NC[*:1]
CCCCn1c(N)c(N(C)C(=O)CSc2ccc(F)cc2)c(=O)[nH]c1=O Fc1ccc(cc1)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C)C(=O)CS[*:1]
CCCCn1c(N)c(N(C)C(=O)CSc2ccc(F)cc2)c(=O)[nH]c1=O Fc1ccc(cc1)S[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C)C(=O)C[*:1]
CCCCn1c(N)c(N(C)C(=O)CSc2ccc(F)cc2)c(=O)[nH]c1=O CCCC[*:1] CN(C(=O)CSc1ccc(F)cc1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCCCn1c(N)c(N(C)C(=O)CSc2ccc(F)cc2)c(=O)[nH]c1=O CCC[*:1] CN(C(=O)CSc1ccc(F)cc1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
O=C([O-])c1ccc(Cl)cc1NC(=O)c1cc(Cl)nnc1Cl O=C([O-])[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1cc(Cl)nnc1Cl
CCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 CCC[*:1] CC1=C(C(=O)O[*:1])[C@@H](NC(=O)N1C)c1cccc(c1)[N+](=O)[O-]
CCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc(c1)[*:1]
CCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 CCCOC(=O)[*:1] CC1=C([C@@H](NC(=O)N1C)c1cccc(c1)[N+](=O)[O-])[*:1]
CCn1nc(C)c(CN(C)[C@@H]2CCCN(c3ccccc3)C2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(CN(C)[C@@H]2CCCN(C2)[*:1])c1C
N#CCCCCNC(=O)N[C@@H](c1ccccc1F)C1CCCC1 N#CCCC[*:1] O=C(NC[*:1])N[C@@H](c1ccccc1F)C1CCCC1
N#CCCCCNC(=O)N[C@@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] N#CCCCCNC(=O)N[C@@H](c1ccccc1F)[*:1]
N#CCCCCNC(=O)N[C@@H](c1ccccc1F)C1CCCC1 N#CC[*:1] O=C(NCCC[*:1])N[C@@H](c1ccccc1F)C1CCCC1
N#CCCCCNC(=O)N[C@@H](c1ccccc1F)C1CCCC1 N#CCCCC[*:1] O=C(N[C@@H](c1ccccc1F)C1CCCC1)N[*:1]
N#CCCCCNC(=O)N[C@@H](c1ccccc1F)C1CCCC1 N#CCC[*:1] O=C(NCC[*:1])N[C@@H](c1ccccc1F)C1CCCC1
N#CCCCCNC(=O)N[C@@H](c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] N#CCCCCNC(=O)N[C@@H](C1CCCC1)[*:1]
CCCC(=O)N1c2c(C)cccc2[C@@H](Nc2ccccc2C)C[C@@H]1C Cc1ccccc1[*:1] CCCC(=O)N1c2c(C)cccc2[C@H](C[C@@H]1C)N[*:1]
CCCC(=O)N1c2c(C)cccc2[C@@H](Nc2ccccc2C)C[C@@H]1C Cc1ccccc1N[*:1] CCCC(=O)N1c2c(C)cccc2[C@@H](C[C@@H]1C)[*:1]
CCCC(=O)N1c2c(C)cccc2[C@@H](Nc2ccccc2C)C[C@@H]1C CCC[*:1] Cc1ccccc1N[C@H]1C[C@H](C)N(C(=O)[*:1])c2c(C)cccc21
Cc1nc(-c2ccc(C(=O)NCC(=O)NC3CCCCCC3)cc2)no1 C1CCCC(CC1)[*:1] Cc1nc(no1)-c1ccc(cc1)C(=O)NCC(=O)N[*:1]
Cc1nc(-c2ccc(C(=O)NCC(=O)NC3CCCCCC3)cc2)no1 Cc1nc(no1)[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])NC1CCCCCC1
O[C@@H](CC[C@H]1Cc2ccccc21)C1CC1 O[C@@H](C1CC1)[*:1] c1ccc2c(c1)C[C@@H]2CC[*:1]
O[C@@H](CC[C@H]1Cc2ccccc21)C1CC1 C1CC1[*:1] O[C@@H](CC[C@H]1Cc2ccccc21)[*:1]
C[C@@H](c1ccccc1F)N(C(=O)C1CCC1)C1CC1 C1CC1[*:1] C[C@@H](c1ccccc1F)N(C(=O)C1CCC1)[*:1]
C[C@@H](c1ccccc1F)N(C(=O)C1CCC1)C1CC1 C1CC(C1)[*:1] C[C@@H](c1ccccc1F)N(C(=O)[*:1])C1CC1
CCN(Cc1ccccc1C)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 Cc1ccccc1[*:1] CCN(C[*:1])S(=O)(=O)c1cccc(c1)S(=O)(=O)NC
CCN(Cc1ccccc1C)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 Cc1ccccc1C[*:1] CCN(S(=O)(=O)c1cccc(c1)S(=O)(=O)NC)[*:1]
CCN(Cc1ccccc1C)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 CNS(=O)(=O)[*:1] CCN(Cc1ccccc1C)S(=O)(=O)c1cccc(c1)[*:1]
CCO[C@H](C)C(=O)OCC(=O)NC(C)C CCO[*:1] CC(C)NC(=O)COC(=O)[C@@H](C)[*:1]
CCO[C@H](C)C(=O)OCC(=O)NC(C)C CCO[C@H](C)[*:1] CC(C)NC(=O)COC(=O)[*:1]
CCO[C@H](C)C(=O)OCC(=O)NC(C)C CC(C)[*:1] CCO[C@H](C)C(=O)OCC(=O)N[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)c1cc(-c2cccnc2)nc2ccccc12 c1cncc(c1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)c1cc(nc2ccccc12)[*:1]
CCN(CCO)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] CCN(CCO)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
CCN(CCO)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 OCC[*:1] CCN(C(=O)N[C@H]1CC(=O)N(C1)C(C)(C)C)[*:1]
CC(=O)NCCCC(=O)Nc1cc(NC(C)=O)ccc1F CC(=O)NC[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)CC[*:1]
CC(=O)NCCCC(=O)Nc1cc(NC(C)=O)ccc1F CC(=O)NCCC[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)[*:1]
CC(=O)NCCCC(=O)Nc1cc(NC(C)=O)ccc1F CC(=O)N[*:1] CC(=O)NCCCC(=O)Nc1cc(ccc1F)[*:1]
CC(=O)NCCCC(=O)Nc1cc(NC(C)=O)ccc1F CC(=O)NCC[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)C[*:1]
CC(=O)NCCCC(=O)Nc1cc(NC(C)=O)ccc1F CC(=O)N[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)CCC[*:1]
CCN(CCC(=O)[O-])C(=O)c1cc(Cl)ccc1F O=C([O-])C[*:1] CCN(C[*:1])C(=O)c1cc(Cl)ccc1F
CCN(CCC(=O)[O-])C(=O)c1cc(Cl)ccc1F O=C([O-])[*:1] CCN(CC[*:1])C(=O)c1cc(Cl)ccc1F
CCN(CCC(=O)[O-])C(=O)c1cc(Cl)ccc1F O=C([O-])CC[*:1] CCN(C(=O)c1cc(Cl)ccc1F)[*:1]
C[C@@H](C(=O)Nc1nccs1)c1ccc(Br)s1 c1csc(n1)[*:1] C[C@@H](C(=O)N[*:1])c1ccc(Br)s1
CCOC[C@H](O)CSC1COC1 CCO[*:1] O[C@H](CSC1COC1)C[*:1]
CCOC[C@H](O)CSC1COC1 CCOC[*:1] O[C@H](CSC1COC1)[*:1]
CCOC[C@H](O)CSC1COC1 C1OCC1[*:1] CCOC[C@H](O)CS[*:1]
O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cn1cnc2ccccc2c1=O)NNC(=O)[*:1]
CO[C@H](C)c1noc([C@H](C(C)C)[C@@H](C)[NH3+])n1 CO[C@H](C)[*:1] CC(C)[C@@H](c1nc(no1)[*:1])[C@@H](C)[NH3+]
CO[C@H](C)c1noc([C@H](C(C)C)[C@@H](C)[NH3+])n1 CC(C)[*:1] CO[C@H](C)c1noc(n1)[C@H]([C@@H](C)[NH3+])[*:1]
NC(=O)c1ccc([N+](=O)[O-])s1 NC(=O)[*:1] O=[N+]([O-])c1ccc(s1)[*:1]
NC(=O)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] NC(=O)c1ccc(s1)[*:1]
O=C(C[C@@H]1C(=O)Nc2c(-c3ccccc3)cnn21)Nc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)Nc2c(cnn21)[*:1])Nc1cccc(F)c1
O=C(C[C@@H]1C(=O)Nc2c(-c3ccccc3)cnn21)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(C[C@@H]1C(=O)Nc2c(cnn21)-c1ccccc1)N[*:1]
COc1cc(OC)cc(-c2onc(C)c2C(=O)NC2Cc3ccccc3C2)c1 c1ccc2CC(Cc2c1)[*:1] COc1cc(cc(c1)-c1onc(C)c1C(=O)N[*:1])OC
Cc1ccc(-c2nc(C(=O)NC[C@H](O)c3ccccc3)cc3c2[nH]c2ccccc23)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(cc2c1[nH]c1ccccc12)C(=O)NC[C@H](O)[*:1]
Cc1ccc(-c2nc(C(=O)NC[C@H](O)c3ccccc3)cc3c2[nH]c2ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@H](O)c1ccccc1)c1cc2c([nH]c3ccccc32)c(n1)[*:1]
O=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1nc(-c2ccc(Cl)cc2)n2CCCCCc12)N1CCN(CC1)[*:1]
O=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CCN(c2ncccn2)CC1 Clc1ccc(cc1)[*:1] O=C(c1nc(n2CCCCCc12)[*:1])N1CCN(CC1)c1ncccn1
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(Cl)c(F)c2)o1 Fc1cc(ccc1Cl)[*:1] Cc1nnc(o1)[C@H]1Cc2ccccc2CN1C[*:1]
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(Cl)c(F)c2)o1 Cc1nnc(o1)[*:1] Fc1cc(ccc1Cl)CN1Cc2ccccc2C[C@@H]1[*:1]
Cc1csc(N2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3C)CC2)n1 Cc1ccccc1[*:1] Cc1csc(n1)N1CCCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
Cc1csc(N2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3C)CC2)n1 Cc1csc(n1)[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCCN(CC1)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H]1CCCCNC1=O Clc1ccccc1C[*:1] Cc1nn(c(C)c1C(=O)N[C@H]1CCCCNC1=O)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H]1CCCCNC1=O Clc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1C(=O)N[C@H]1CCCCNC1=O
O=C(c1c[nH]cn1)N1CCO[C@H](Cc2cccc(F)c2)C1 c1nc(c[nH]1)[*:1] O=C(N1CCO[C@H](Cc2cccc(F)c2)C1)[*:1]
O=C(c1c[nH]cn1)N1CCO[C@H](Cc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(c1c[nH]cn1)N1CCO[C@@H](C1)C[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 Cc1ccccc1[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)/N=C(\[O-])[C@H]1C[C@H]1[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccccc1[C@@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)c1cccc(c1)[*:1]
Cn1nc(C(=O)NCc2ccco2)cc1NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)C[*:1])C(=O)NCc1ccco1
Cn1nc(C(=O)NCc2ccco2)cc1NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)NCc1ccco1
Cn1nc(C(=O)NCc2ccco2)cc1NC(=O)Cc1ccccc1 c1coc(c1)C[*:1] Cn1nc(cc1NC(=O)Cc1ccccc1)C(=O)N[*:1]
Cn1nc(C(=O)NCc2ccco2)cc1NC(=O)Cc1ccccc1 c1coc(c1)[*:1] Cn1nc(cc1NC(=O)Cc1ccccc1)C(=O)NC[*:1]
CCOC(=O)C1=C(CC)[C@H](C(=O)OCC)C(C)=N1 CCOC(=O)[*:1] CCOC(=O)C1N=C(C)[C@@H](C=1CC)[*:1]
CCOC(=O)C1=C(CC)[C@H](C(=O)OCC)C(C)=N1 CCOC(=O)[*:1] CCOC(=O)[C@@H]1C(C)=NC(=C1CC)[*:1]
COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] COc1cn(nc1C(=O)Nc1ccc(cc1)[*:1])-c1ccccc1
COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] COc1cn(nc1C(=O)Nc1ccc(cc1)O[*:1])-c1ccccc1
COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(OC(F)(F)F)cc1 c1ccc(cc1)[*:1] COc1cn(nc1C(=O)Nc1ccc(cc1)OC(F)(F)F)[*:1]
CCOC(=O)N[C@H]1CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 c1ccc(cc1)[*:1] CCOC(=O)N[C@H]1CCCN(CC(=O)NC2(CCC2)[*:1])C1
CCOC(=O)N[C@H]1CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 CCOC(=O)N[*:1] O=C(CN1CCC[C@@H](C1)[*:1])NC1(CCC1)c1ccccc1
O=C(COc1ccccc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(COc1ccccc1F)N1CCN(CC1)C[*:1]
O=C(COc1ccccc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 Fc1ccccc1[*:1] O=C(CO[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(COc1ccccc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 Fc1ccccc1O[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(COc1ccccc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 Fc1ccccc1OC[*:1] O=C(N1CCN(CC1)Cc1ccc2OCOc2c1)[*:1]
CCC[C@H](C)C(=O)N1CCC2(CC1)OC[C@H](C)O2 CCC[*:1] C[C@H]1COC2(CCN(CC2)C(=O)[C@@H](C)[*:1])O1
CCC[C@H](C)C(=O)N1CCC2(CC1)OC[C@H](C)O2 CCC[C@H](C)[*:1] C[C@H]1COC2(CCN(CC2)C(=O)[*:1])O1
CCNC(=O)CN(CC)C(=O)CC1([NH3+])CCC1 CCNC(=O)[*:1] CCN(C[*:1])C(=O)CC1([NH3+])CCC1
Cn1cnc2cc(OS(=O)(=O)/C=C/c3ccccc3)ccc21 c1ccc(cc1)[*:1] Cn1cnc2cc(ccc21)OS(=O)(=O)C=C[*:1]
CCN(CC)C(=O)CCC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1 CCN(CC)C(=O)C[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)C[*:1]
CCN(CC)C(=O)CCC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1 CCN(CC)C(=O)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)CC[*:1]
CCC[C@@H]1CN(C[C@@H]2CCCO2)c2ccccc2C[NH2+]1 CCC[*:1] c1ccc2c(c1)C[NH2+][C@@H](CN2C[C@@H]1CCCO1)[*:1]
CCC[C@@H]1CN(C[C@@H]2CCCO2)c2ccccc2C[NH2+]1 C1CO[C@@H](C1)[*:1] CCC[C@@H]1CN(C[*:1])c2ccccc2C[NH2+]1
CCC[C@@H]1CN(C[C@@H]2CCCO2)c2ccccc2C[NH2+]1 C1CO[C@@H](C1)C[*:1] CCC[C@@H]1CN(c2ccccc2C[NH2+]1)[*:1]
CCOCC(=O)N1CCC[C@H]1c1cccc(Cl)c1 CCO[*:1] O=C(C[*:1])N1CCC[C@H]1c1cccc(Cl)c1
CCOCC(=O)N1CCC[C@H]1c1cccc(Cl)c1 CCOC[*:1] O=C(N1CCC[C@H]1c1cccc(Cl)c1)[*:1]
COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CC[C@H](c1ccccc1)[S@](=O)CC(=O)Nc1cccc(C#N)c1 c1ccc(cc1)[*:1] CC[C@H]([S@](=O)CC(=O)Nc1cccc(C#N)c1)[*:1]
CC[C@H](O)c1nc2ccccc2n1CC(C)C CC(C)C[*:1] CC[C@H](O)c1nc2ccccc2n1[*:1]
CC[C@H](O)c1nc2ccccc2n1CC(C)C CC[C@H](O)[*:1] CC(C)Cn1c(nc2ccccc21)[*:1]
CC[C@H](O)c1nc2ccccc2n1CC(C)C CC(C)[*:1] CC[C@H](O)c1nc2ccccc2n1C[*:1]
COc1cc(C(=O)Nc2nccs2)ccc1OCC(=O)Nc1ccc(F)cc1 c1csc(n1)[*:1] COc1cc(ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)N[*:1]
COc1cc(C(=O)Nc2nccs2)ccc1OCC(=O)Nc1ccc(F)cc1 O=C(Nc1nccs1)[*:1] COc1cc(ccc1OCC(=O)Nc1ccc(F)cc1)[*:1]
COc1cc(C(=O)Nc2nccs2)ccc1OCC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cc(ccc1OCC(=O)N[*:1])C(=O)Nc1nccs1
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2sccc2C)C1 Cc1ccsc1[*:1] COCCC[C@]1(CCCN(C1)C(=O)[*:1])C(=O)[O-]
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2sccc2C)C1 COCC[*:1] Cc1ccsc1C(=O)N1CCC[C@@](C1)(C[*:1])C(=O)[O-]
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2sccc2C)C1 COCCC[*:1] Cc1ccsc1C(=O)N1CCC[C@@](C1)(C(=O)[O-])[*:1]
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2sccc2C)C1 O=C([O-])[*:1] COCCC[C@]1(CCCN(C1)C(=O)c1sccc1C)[*:1]
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2sccc2C)C1 COC[*:1] Cc1ccsc1C(=O)N1CCC[C@](CC[*:1])(C1)C(=O)[O-]
COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 COC(=O)[*:1] Cc1cccc(C)c1NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1cccc(C)c1NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 Cc1cccc(C)c1[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
O=C(NCCc1nnc2ccccn12)c1ccccc1C(=O)c1cccs1 O=C(c1cccs1)[*:1] O=C(NCCc1nnc2ccccn12)c1ccccc1[*:1]
O=C(NCCc1nnc2ccccn12)c1ccccc1C(=O)c1cccs1 c1ccn2c(nnc2c1)[*:1] O=C(NCC[*:1])c1ccccc1C(=O)c1cccs1
O=C(NCCc1nnc2ccccn12)c1ccccc1C(=O)c1cccs1 c1csc(c1)[*:1] O=C(NCCc1nnc2ccccn12)c1ccccc1C(=O)[*:1]
COc1ccc2c(c1)=C[C@H](CN(c1ccc(C)c(C)c1)S(C)(=O)=O)C(=O)[NH+]=2 Cc1ccc(cc1C)[*:1] COc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(S(C)(=O)=O)[*:1]
COc1ccc(-c2noc(CN(C)C(=O)c3cc(OC)cc(OC)c3)n2)cc1 COc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)N(C)Cc1nc(no1)[*:1])OC
Cc1nccn1-c1cc(N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)ncn1 Cc1nccn1[*:1] O=C(Nc1ccc(F)c(F)c1)C1CCN(CC1)c1cc(ncn1)[*:1]
Cc1nccn1-c1cc(N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)ncn1 Fc1ccc(cc1F)[*:1] Cc1nccn1-c1cc(ncn1)N1CCC(CC1)C(=O)N[*:1]
CCCC1(Cc2c(C)cc(C)cc2C)C[NH2+]C1 CCC[*:1] Cc1cc(C)c(CC2(C[NH2+]C2)[*:1])c(C)c1
Cc1cccc(C)c1NC(=O)[C@H]1CCCN(C(=O)NC2CC2)C1 C1CC1[*:1] Cc1cccc(C)c1NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CCOc1ccccc1/C=C/C(=O)N[C@@H](C#N)C(C)(C)C CCO[*:1] CC(C)(C)[C@H](C#N)NC(=O)/C=C/c1ccccc1[*:1]
CCOc1ccccc1/C=C/C(=O)N[C@@H](C#N)C(C)(C)C CC(C)(C)[*:1] CCOc1ccccc1/C=C/C(=O)N[C@@H](C#N)[*:1]
C=CCCC(=O)N1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1 C1CCC(C1)[*:1] C=CCCC(=O)N1CCC(CC1)c1nn(C)c(=O)n1[*:1]
C=CCCC(=O)N1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1 C=CCC[*:1] Cn1nc(C2CCN(CC2)C(=O)[*:1])n(c1=O)C1CCCC1
C=CCCC(=O)N1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1 C=CC[*:1] Cn1nc(C2CCN(CC2)C(=O)C[*:1])n(c1=O)C1CCCC1
CC(C)NC(=O)c1ccc(CN2C(=O)CSc3ccccc32)o1 CC(C)NC(=O)[*:1] O=C1CSc2ccccc2N1Cc1ccc(o1)[*:1]
CC(C)NC(=O)c1ccc(CN2C(=O)CSc3ccccc32)o1 CC(C)[*:1] O=C(N[*:1])c1ccc(CN2C(=O)CSc3ccccc32)o1
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 CCc1ccc(cc1)O[*:1] Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(nc12)[*:1]
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 O=C(NCc1ccccc1)[*:1] CCc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)[*:1]
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)N[*:1]
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NC[*:1]
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 CCc1ccc(cc1)[*:1] Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(nc12)O[*:1]
Cc1ccc(NC(=O)Nc2c([O-])c3ccccc3oc2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1c([O-])c2ccccc2oc1=O)N[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)N1CCCCCC1 CC(=O)C[*:1] O=C(N1CCCCCC1)N1CCCCC[C@@H]1[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)N1CCCCCC1 CC(=O)[*:1] O=C(N1CCCCCC1)N1CCCCC[C@@H]1C[*:1]
CN(Cc1cscn1)[C@H](C[NH3+])c1ccccc1C1CC1 C1CC1[*:1] CN(Cc1cscn1)[C@H](C[NH3+])c1ccccc1[*:1]
CN(Cc1cscn1)[C@H](C[NH3+])c1ccccc1C1CC1 c1nc(cs1)[*:1] CN(C[*:1])[C@H](C[NH3+])c1ccccc1C1CC1
CN(Cc1cscn1)[C@H](C[NH3+])c1ccccc1C1CC1 c1nc(cs1)C[*:1] CN([C@H](C[NH3+])c1ccccc1C1CC1)[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)CN1CCc2ccccc2C1 CCOC(=O)[*:1] O=C(CN1CCc2ccccc2C1)NC1=c2cc(F)ccc2=[NH+][C@@H]1[*:1]
CCC1(CC)[C@@H](NC(=O)N(C)Cc2cccnc2)[C@@H](C)[C@@H]1OC c1cncc(c1)[*:1] CCC1(CC)[C@@H](NC(=O)N(C)C[*:1])[C@@H](C)[C@@H]1OC
CCC1(CC)[C@@H](NC(=O)N(C)Cc2cccnc2)[C@@H](C)[C@@H]1OC c1cncc(c1)C[*:1] CCC1(CC)[C@@H](NC(=O)N(C)[*:1])[C@@H](C)[C@@H]1OC
Cc1noc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(CN[C@H](C(=O)N[*:1])c2ccccc2)n1
Cc1noc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 Cc1noc(n1)[*:1] O=C(Nc1ccccc1)[C@@H](NC[*:1])c1ccccc1
Cc1noc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 Cc1noc(C[*:1])n1 O=C(Nc1ccccc1)[C@@H](N[*:1])c1ccccc1
Cc1noc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(CN[C@H](C(=O)Nc2ccccc2)[*:1])n1
Cc1noc(CN[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 Cc1noc(CN[*:1])n1 O=C(Nc1ccccc1)[C@H](c1ccccc1)[*:1]
O=C(N[C@H](c1ccccc1F)C1CCCC1)N1CCC(CO)CC1 Fc1ccccc1[*:1] O=C(N[C@H](C1CCCC1)[*:1])N1CCC(CO)CC1
O=C(N[C@H](c1ccccc1F)C1CCCC1)N1CCC(CO)CC1 C1CCC(C1)[*:1] O=C(N[C@H](c1ccccc1F)[*:1])N1CCC(CO)CC1
CC[C@H](C)N(C)C(=O)c1cc(F)ccc1N CC[C@H](C)[*:1] CN(C(=O)c1cc(F)ccc1N)[*:1]
CCc1ccsc1CNC(=O)NC[C@H](C)N1CCOC[C@@H]1C CCc1ccsc1[*:1] C[C@@H](CNC(=O)NC[*:1])N1CCOC[C@@H]1C
CCc1ccsc1CNC(=O)NC[C@H](C)N1CCOC[C@@H]1C C[C@H]1COCCN1[*:1] CCc1ccsc1CNC(=O)NC[C@H](C)[*:1]
Cc1cc(C)nc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)n1 Cc1cc(C)nc(n1)[*:1] O=C(CCCN1C(=O)c2ccccc2C1=O)N[*:1]
COc1cccc(CC[C@H]2CCCN(C(=O)Cn3cnnn3)C2)c1 c1nnnn1C[*:1] COc1cccc(c1)CC[C@H]1CCCN(C1)C(=O)[*:1]
COc1cccc(CC[C@H]2CCCN(C(=O)Cn3cnnn3)C2)c1 c1nnnn1[*:1] COc1cccc(c1)CC[C@H]1CCCN(C1)C(=O)C[*:1]
COc1cccc(CC[C@H]2CCCN(C(=O)Cn3cnnn3)C2)c1 COc1cccc(c1)[*:1] O=C(Cn1cnnn1)N1CCC[C@H](CC[*:1])C1
CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1[*:1]
CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1 c1ccc(cc1)[*:1] CN(Cc1nccn1C[*:1])C(=O)[C@@H]1C[C@H]1c1cccc(F)c1
CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1 c1ccc(cc1)C[*:1] CN(Cc1nccn1[*:1])C(=O)[C@@H]1C[C@H]1c1cccc(F)c1
CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc4cn[nH]c34)ccc2Cl)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1cccc2cn[nH]c12)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc4cn[nH]c34)ccc2Cl)cc1 CCO[*:1] O=C(Nc1cccc2cn[nH]c12)c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc4cn[nH]c34)ccc2Cl)cc1 c1cc(c2[nH]ncc2c1)[*:1] CCOc1ccc(cc1)NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
COc1ccc(NC(=O)CCOc2cc(C)cc(C)c2)c(OC)c1 Cc1cc(C)cc(c1)[*:1] COc1ccc(NC(=O)CCO[*:1])c(c1)OC
C=CCN(CC=C)C[C@@H]1CCC(C)(C)[C@H]1[NH2+]C C=CC[*:1] C=CCN(C[C@@H]1CCC(C)(C)[C@H]1[NH2+]C)[*:1]
Cc1ccc(NC(=O)NCc2cccc(Cn3cncn3)c2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NCc1cccc(c1)Cn1cncn1
Cc1ccc(NC(=O)NCc2cccc(Cn3cncn3)c2)cc1C(N)=O c1ncn(C[*:1])n1 Cc1ccc(cc1C(N)=O)NC(=O)NCc1cccc(c1)[*:1]
Cc1ccc(NC(=O)NCc2cccc(Cn3cncn3)c2)cc1C(N)=O c1ncn(n1)[*:1] Cc1ccc(cc1C(N)=O)NC(=O)NCc1cccc(c1)C[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)N3C(=S)N(c4ccccc4)C(=O)[C@H]23)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C(C#N)=C(N)N2C(=S)N(C(=O)[C@H]12)[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)N3C(=S)N(c4ccccc4)C(=O)[C@H]23)cc1 COc1ccc(cc1)[*:1] N#CC1=C(N)N2C(=S)N(C(=O)[C@@H]2[C@@H]1[*:1])c1ccccc1
COc1cccc(CNc2nnnn2C)c1OCc1ccc(Cl)cc1 Cn1nnnc1N[*:1] COc1cccc(C[*:1])c1OCc1ccc(Cl)cc1
COc1cccc(CNc2nnnn2C)c1OCc1ccc(Cl)cc1 Cn1nnnc1NC[*:1] COc1cccc(c1OCc1ccc(Cl)cc1)[*:1]
COc1cccc(CNc2nnnn2C)c1OCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COc1cccc(CNc2nnnn2C)c1O[*:1]
COc1cccc(CNc2nnnn2C)c1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1cccc(CNc2nnnn2C)c1OC[*:1]
COc1cccc(CNc2nnnn2C)c1OCc1ccc(Cl)cc1 Cn1nnnc1[*:1] COc1cccc(CN[*:1])c1OCc1ccc(Cl)cc1
O=C([O-])COCCNC(=O)[C@@H]1CCCCO1 O=C([O-])CO[*:1] O=C(NCC[*:1])[C@@H]1CCCCO1
O=C([O-])COCCNC(=O)[C@@H]1CCCCO1 O=C([O-])C[*:1] O=C(NCCO[*:1])[C@@H]1CCCCO1
O=C([O-])COCCNC(=O)[C@@H]1CCCCO1 O=C([O-])[*:1] O=C(NCCOC[*:1])[C@@H]1CCCCO1
COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NC3CCCC3)CC2=O)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])C(=O)NC1CCCC1
COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NC3CCCC3)CC2=O)cc1 O=C(NC1CCCC1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[C@@H](C)[*:1]
COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NC3CCCC3)CC2=O)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[C@@H](C)C(=O)N[*:1]
Cc1ccsc1CNC(=O)CCCC[NH3+] [NH3+]CCC[*:1] Cc1ccsc1CNC(=O)C[*:1]
Cc1ccsc1CNC(=O)CCCC[NH3+] [NH3+]CCCC[*:1] Cc1ccsc1CNC(=O)[*:1]
Cc1ccsc1CNC(=O)CCCC[NH3+] [NH3+]CC[*:1] Cc1ccsc1CNC(=O)CC[*:1]
C[C@H](NC(=O)[C@H](C)N1CC[NH+](CCCO)CC1)c1ccc2c(c1)CCCC2 OCC[*:1] C[C@H](NC(=O)[C@H](C)N1CC[NH+](CC1)C[*:1])c1ccc2CCCCc2c1
Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc1Cl C1CCN(CC1)[*:1] Cc1ccc(cc1Cl)NC(=O)N1CCN(CC1)c1cc(ncn1)[*:1]
Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N[*:1])N1CCN(CC1)c1cc(ncn1)N1CCCCC1
C=C(C)Cn1ccc(-c2ccsc2)n1 C=C(C)[*:1] c1cc(cs1)-c1ccn(C[*:1])n1
C=C(C)Cn1ccc(-c2ccsc2)n1 C=C(C)C[*:1] c1cc(cs1)-c1ccn(n1)[*:1]
CC(C)[C@@H](C)NC(=O)CSCC[NH3+] CC(C)[*:1] C[C@@H](NC(=O)CSCC[NH3+])[*:1]
CC(C)[C@@H](C)NC(=O)CSCC[NH3+] [NH3+]CCS[*:1] CC(C)[C@@H](C)NC(=O)C[*:1]
CC(C)[C@@H](C)NC(=O)CSCC[NH3+] [NH3+]CC[*:1] CC(C)[C@@H](C)NC(=O)CS[*:1]
CCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)[C@H](C)[*:1]
CCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)[C@H](C)CS(C)(=O)=O C[C@H](CS(C)(=O)=O)[*:1] CCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
CCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)[C@H](C)C[*:1]
Cc1ccc(NC(=O)Cc2ccc(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)NC1=N[C@H]2CS(=O)(=O)C[C@H]2S1)N[*:1]
Cc1cnc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)s1 Cc1cnc(NC(=O)[*:1])s1 O=C(Nc1nc(cs1)C[*:1])c1ccc2OCOc2c1
Cc1cnc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)s1 Cc1cnc(s1)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccc2OCOc2c1)N[*:1]
Cc1cnc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)s1 c1cc2OCOc2cc1[*:1] Cc1cnc(NC(=O)Cc2csc(n2)NC(=O)[*:1])s1
CNC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 CC(C)(C)[*:1] CNC(=O)c1cccc(c1)NC(=O)COc1ccc(cc1)[*:1]
CNC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 CNC(=O)[*:1] CC(C)(C)c1ccc(cc1)OCC(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)c(C)c(OCC(=O)N/N=C/c2ccc(Br)o2)c1 Brc1ccc(o1)[*:1] Cc1cc(C)c(C)c(c1)OCC(=O)NN=C[*:1]
CCc1cc(C(=O)N2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)cc(=O)[nH]1 C1CN(CCO1)C[*:1] CCc1cc(cc(=O)[nH]1)C(=O)N1CC[C@](O)(C(C)(C)C1)[*:1]
CCc1cc(C(=O)N2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)cc(=O)[nH]1 C1CN(CCO1)[*:1] CCc1cc(cc(=O)[nH]1)C(=O)N1CC[C@](O)(C[*:1])C(C)(C)C1
CCc1cc(C(=O)N2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)cc(=O)[nH]1 CCc1cc(cc(=O)[nH]1)[*:1] CC1(C)CN(CC[C@]1(O)CN1CCOCC1)C(=O)[*:1]
CC(C)[C@H](CNC(=O)N[C@H]1C[C@@H]1C)N1CC[NH+](C)CC1 CC(C)[*:1] C[C@H]1C[C@@H]1NC(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1]
CC(C)[C@H](CNC(=O)N[C@H]1C[C@@H]1C)N1CC[NH+](C)CC1 C[C@H]1C[C@@H]1[*:1] CC(C)[C@H](CNC(=O)N[*:1])N1CC[NH+](C)CC1
C/[NH+]=C(/NCCc1cc(C)cc(C)c1)NCc1ncc(C)s1 Cc1cnc(C[*:1])s1 C/[NH+]=C(/NCCc1cc(C)cc(C)c1)N[*:1]
C/[NH+]=C(/NCCc1cc(C)cc(C)c1)NCc1ncc(C)s1 Cc1cnc(s1)[*:1] C/[NH+]=C(/NCCc1cc(C)cc(C)c1)NC[*:1]
CNC(=O)/C(C#N)=C(/[O-])C1=NN(c2cc(C)ccc2C)C(=O)CC1 Cc1ccc(C)c(c1)[*:1] CNC(=O)/C(C#N)=C(/[O-])C1CCC(=O)N(N=1)[*:1]
CNC(=O)/C(C#N)=C(/[O-])C1=NN(c2cc(C)ccc2C)C(=O)CC1 CNC(=O)[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C([O-])=C(C#N)[*:1]
CCc1nc(COC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cs1 CCc1nc(cs1)[*:1] O=C(OC[*:1])c1cc(n[nH]1)-c1ccc(Br)cc1
CCc1nc(COC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cs1 Brc1ccc(cc1)[*:1] CCc1nc(cs1)COC(=O)c1cc(n[nH]1)[*:1]
CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cc(C)ccc2C)CC1 C1CO[C@@H](C1)[*:1] CCC[C@@H](c1nnnn1C[*:1])[NH+]1CCN(CC1)c1cc(C)ccc1C
CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cc(C)ccc2C)CC1 Cc1ccc(C)c(c1)[*:1] CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(CC1)[*:1]
CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cc(C)ccc2C)CC1 CCC[*:1] Cc1ccc(C)c(c1)N1CC[NH+](CC1)[C@H](c1nnnn1C[C@@H]1CCCO1)[*:1]
CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cc(C)ccc2C)CC1 C1CO[C@@H](C1)C[*:1] CCC[C@@H](c1nnnn1[*:1])[NH+]1CCN(CC1)c1cc(C)ccc1C
CC[C@H](C)[C@H](NC(=O)N1CCCCC1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@H](NC(=O)N1CCCCC1)[*:1]
CC[C@H](C)[C@H](NC(=O)N1CCCCC1)C(=O)[O-] CC[C@H](C)[*:1] O=C([O-])[C@@H](NC(=O)N1CCCCC1)[*:1]
C=CC(=O)NCOCC(C)C CC(C)[*:1] C=CC(=O)NCOC[*:1]
Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4cccc(O)c4)C3)CCC2=O)cn1 Cc1cnc(cn1)C[*:1] O=C(c1cccc(O)c1)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4cccc(O)c4)C3)CCC2=O)cn1 Oc1cccc(c1)[*:1] Cc1cnc(cn1)CN1C[C@@]2(CCCN(C2)C(=O)[*:1])CCC1=O
Cc1cnc(CN2C[C@@]3(CCCN(C(=O)c4cccc(O)c4)C3)CCC2=O)cn1 Cc1cnc(cn1)[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)c2cccc(O)c2)CN1C[*:1]
O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 Clc1cccc(c1)[*:1] O=C(NCCNS(=O)(=O)[*:1])C12CC3CC(CC(C3)C1)C2
C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(c1)O[*:1]
C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(c1)[*:1]
CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(C)C)cc2)C1 CC(C)[*:1] CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)O[*:1]
CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(C)C)cc2)C1 CC(C)O[*:1] CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(C)C)cc2)C1 CNC(=O)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
CCCN1CCN(C(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1 CCC[*:1] O=C(CCn1c(=O)c2cccn2c2cccnc21)N1CCN(CC1)[*:1]
COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccoc2C)cc1 O=C(C[*:1])N1CCOCC1 COc1ccc(cc1)-n1c(nnc1-c1ccoc1C)S[*:1]
COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccoc2C)cc1 COc1ccc(cc1)[*:1] Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)n1[*:1]
COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccoc2C)cc1 Cc1occc1[*:1] COc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)N1CCOCC1
COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccoc2C)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccoc1C)SC[*:1]
Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2 O=S1(=O)CCCCN1[*:1] Cc1cc(cc(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2)[*:1]
COc1cccc(CN(C)C(=O)C(=O)Nc2cccc3cccnc23)c1 COc1cccc(c1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1cccc2cccnc12
CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@H](C)CC(=O)N[*:1]
CCC[C@H]1C(=O)NC(=O)C[C@H]1c1ccc(CC)s1 CCC[*:1] CCc1ccc(s1)[C@@H]1CC(=O)NC(=O)[C@@H]1[*:1]
COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)c1 COc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)c1 CC(=O)N[*:1] COc1cccc(c1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)c1 CC(=O)Nc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
C[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 C1CO[C@@H](C1)C[*:1] C[C@@H](C(=O)N[*:1])c1ccc(Cl)c(Cl)c1
C[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 C1CO[C@@H](C1)[*:1] C[C@@H](C(=O)NC[*:1])c1ccc(Cl)c(Cl)c1
CC[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccc(Cl)cc12)c1ccccc1 CC[C@@H](c1ccccc1)[*:1] O=C(N[*:1])c1cc(nc2ccc(Cl)cc12)-c1ccccn1
CC[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccc(Cl)cc12)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1cc(nc2ccc(Cl)cc12)-c1ccccn1)[*:1]
CC[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccc(Cl)cc12)c1ccccc1 c1ccc(nc1)[*:1] CC[C@@H](NC(=O)c1cc(nc2ccc(Cl)cc12)[*:1])c1ccccc1
COc1ccc(NS(=O)(=O)CCc2ccccc2)cn1 c1ccc(cc1)[*:1] COc1ccc(cn1)NS(=O)(=O)CC[*:1]
CCCc1ccc(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 CCC[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
CCCc1ccc(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 CNS(=O)(=O)[*:1] CCCc1ccc(cc1)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
C[C@H]1CN(Cc2csc(NC(=O)c3cccnc3)n2)C[C@H](C)O1 c1cncc(c1)[*:1] C[C@H]1CN(Cc2csc(n2)NC(=O)[*:1])C[C@H](C)O1
COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nnnn1C(C)(C)C CC(C)(C)[*:1] COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nnnn1[*:1]
O=C(c1cccc(F)c1)N1CCSC12CCN(S(=O)(=O)c1cccc3ccccc13)CC2 c1ccc2c(cccc2c1)[*:1] O=C(c1cccc(F)c1)N1CCSC12CCN(CC2)S(=O)(=O)[*:1]
O=C(c1cccc(F)c1)N1CCSC12CCN(S(=O)(=O)c1cccc3ccccc13)CC2 Fc1cccc(c1)[*:1] O=C(N1CCSC12CCN(CC2)S(=O)(=O)c1cccc2ccccc12)[*:1]
CCn1cnnc1CNC(=O)NC[C@H](O)c1ccccc1OC CCn1cnnc1[*:1] COc1ccccc1[C@@H](O)CNC(=O)NC[*:1]
CC[C@@H](NC(=O)c1csc(C#CCCO)c1)c1cccs1 OCCC#C[*:1] CC[C@@H](NC(=O)c1csc(c1)[*:1])c1cccs1
CC[C@@H](NC(=O)c1csc(C#CCCO)c1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)c1csc(C#CCCO)c1)[*:1]
CC[C@@H](NC(=O)c1csc(C#CCCO)c1)c1cccs1 OCC[*:1] CC[C@@H](NC(=O)c1csc(C#C[*:1])c1)c1cccs1
C=CCN(C(=O)Cc1csc(-c2ccccc2Cl)n1)[C@H]1CCS(=O)(=O)C1 Clc1ccccc1[*:1] C=CCN(C(=O)Cc1csc(n1)[*:1])[C@H]1CCS(=O)(=O)C1
C=CCN(C(=O)Cc1csc(-c2ccccc2Cl)n1)[C@H]1CCS(=O)(=O)C1 C=CC[*:1] O=C(Cc1csc(n1)-c1ccccc1Cl)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccccc1N1CCCN(C(=O)[C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1N1CCCN(CC1)C(=O)[C@@H](O)[*:1]
Cc1ccccc1N1CCCN(C(=O)[C@@H](O)c2ccccc2)CC1 O[C@@H](c1ccccc1)[*:1] Cc1ccccc1N1CCCN(CC1)C(=O)[*:1]
Cc1ccccc1N1CCCN(C(=O)[C@@H](O)c2ccccc2)CC1 Cc1ccccc1[*:1] O=C([C@@H](O)c1ccccc1)N1CCCN(CC1)[*:1]
Cc1ccccc1C[NH+](C)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 O=S(=O)(/N=C1\CCCN1)[*:1] Cc1ccccc1C[NH+](C)CC(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1C[NH+](C)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 Cc1ccccc1[*:1] C[NH+](CC(=O)Nc1cccc(c1)S(=O)(=O)/N=C1\CCCN1)C[*:1]
Cc1ccccc1C[NH+](C)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 Cc1ccccc1C[*:1] C[NH+](CC(=O)Nc1cccc(c1)S(=O)(=O)/N=C1\CCCN1)[*:1]
CC(C)CN(C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)C1CC1 CN(C)S(=O)(=O)[*:1] CC(C)CN(C(=O)NCc1ccc(cc1)[*:1])C1CC1
CC(C)CN(C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)C1CC1 CC(C)C[*:1] CN(C)S(=O)(=O)c1ccc(cc1)CNC(=O)N(C1CC1)[*:1]
CC(C)CN(C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)NCc1ccc(cc1)S(=O)(=O)N(C)C)[*:1]
CC(C)CN(C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)C1CC1 CC(C)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)CNC(=O)N(C[*:1])C1CC1
COC(=O)NCCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 COC(=O)NC[*:1] O=C(CC[*:1])N1CCC(CC1)c1ccc(cc1)C(F)(F)F
COC(=O)NCCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 COC(=O)NCC[*:1] O=C(C[*:1])N1CCC(CC1)c1ccc(cc1)C(F)(F)F
COC(=O)NCCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 COC(=O)NCCC[*:1] O=C(N1CCC(CC1)c1ccc(cc1)C(F)(F)F)[*:1]
COC(=O)NCCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 COC(=O)N[*:1] O=C(CCC[*:1])N1CCC(CC1)c1ccc(cc1)C(F)(F)F
COC(=O)NCCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] COC(=O)NCCCC(=O)N1CCC(CC1)c1ccc(cc1)[*:1]
Cc1ccc(C)c(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 Cc1ccc(C)c(c1)[*:1] NC(=O)c1c(NC(=O)CO[*:1])sc2CCCCc21
Cc1ccc(C)c(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 NC(=O)[*:1] Cc1ccc(C)c(c1)OCC(=O)Nc1sc2CCCCc2c1[*:1]
O=C(c1ccc(N2CCOC2=O)cc1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1ccc(cc1)N1CCOC1=O)N(Cc1ccccc1)C[*:1]
O=C(c1ccc(N2CCOC2=O)cc1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)N1CCOC1=O)N(CCc1ccccc1)C[*:1]
O=C(c1ccc(N2CCOC2=O)cc1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1OCCN1c1ccc(cc1)C(=O)N(CCc1ccccc1)[*:1]
O=C(c1ccc(N2CCOC2=O)cc1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)N1CCOC1=O)N(CC[*:1])Cc1ccccc1
O=C(c1ccc(N2CCOC2=O)cc1)N(CCc1ccccc1)Cc1ccccc1 O=C1OCCN1[*:1] O=C(c1ccc(cc1)[*:1])N(CCc1ccccc1)Cc1ccccc1
O=C(c1ccc(N2CCOC2=O)cc1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)CC[*:1] O=C1OCCN1c1ccc(cc1)C(=O)N(Cc1ccccc1)[*:1]
C[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C1CC1 C[C@@H](C1CC1)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)C(=O)O[*:1]
C[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C1CC1 C1CC1[*:1] C[C@@H](OC(=O)c1cc(ccc1Cl)S(C)(=O)=O)[*:1]
C[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C1CC1 CS(=O)(=O)[*:1] C[C@@H](OC(=O)c1cc(ccc1Cl)[*:1])C1CC1
CSCC(=O)NNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 CSC[*:1] C[C@H]1CCC[C@](CNC(=O)NNC(=O)[*:1])(C1)[NH+](C)C
CCc1ccc(-c2ccc(C(=O)N3CCS(=O)(=O)C[C@@H]3C)o2)cc1 CCc1ccc(cc1)[*:1] C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(o1)[*:1]
C[C@H](NC(=O)CSc1ccc(Cl)cc1N)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)CSc1ccc(Cl)cc1N)[*:1]
CC(C)c1noc(-c2ccc(N3CCCC[C@H]3CC(N)=O)nc2)n1 CC(C)[*:1] NC(=O)C[C@@H]1CCCCN1c1ccc(cn1)-c1nc(no1)[*:1]
CC(C)c1noc(-c2ccc(N3CCCC[C@H]3CC(N)=O)nc2)n1 NC(=O)C[*:1] CC(C)c1noc(n1)-c1ccc(nc1)N1CCCC[C@@H]1[*:1]
CC(C)c1noc(-c2ccc(N3CCCC[C@H]3CC(N)=O)nc2)n1 CC(C)c1noc(n1)[*:1] NC(=O)C[C@@H]1CCCCN1c1ccc(cn1)[*:1]
CC(C)c1noc(-c2ccc(N3CCCC[C@H]3CC(N)=O)nc2)n1 NC(=O)[*:1] CC(C)c1noc(n1)-c1ccc(nc1)N1CCCC[C@H]1C[*:1]
CC(C)CN1CCO[C@H](CNC(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)C1 CC(C)C[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NC[C@@H]1CN(CCO1)[*:1]
CC(C)CN1CCO[C@H](CNC(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)C1 CC(C)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NC[C@@H]1CN(CCO1)C[*:1]
C#CCCCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C C#CCCC[*:1] Cc1nc(sc1[C@H](C)[NH2+]C[*:1])-c1ccccc1
C#CCCCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C c1ccc(cc1)[*:1] C#CCCCC[NH2+][C@@H](C)c1sc(nc1C)[*:1]
C#CCCCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C C#CC[*:1] Cc1nc(sc1[C@H](C)[NH2+]CCC[*:1])-c1ccccc1
C#CCCCC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C C#CCC[*:1] Cc1nc(sc1[C@H](C)[NH2+]CC[*:1])-c1ccccc1
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N1CCC[C@H]([C@@H](C)O)C1 C[C@@H](O)[*:1] Cc1cn(nc1NC(=O)N1CCC[C@H](C1)[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N1CCC[C@H]([C@@H](C)O)C1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)N1CCC[C@@H](C1)[C@@H](C)O)[*:1]
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1sc2nc3C(=C[*:1])CCn3c(=O)c2c1C
Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 Cc1cc(=O)oc(C)c1[*:1] C[C@@H](OC(=O)[*:1])C(=O)c1ccc(cc1)NS(C)(=O)=O
Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 CS(=O)(=O)N[*:1] Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)c1ccc(cc1)[*:1]
COC(=O)[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(C)C COC(=O)[*:1] CC(C)[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)[*:1]
COC(=O)[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)[*:1]
C[C@@](O)(CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccs1 O=[N+]([O-])[*:1] C[C@@](O)(CNC(=O)CCc1cccc(c1)[*:1])c1cccs1
C[C@@](O)(CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccs1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)CCc1cccc(c1)[N+](=O)[O-])[*:1]
CCCN1CCN(S(=O)(=O)c2cc(C)cc(N)c2C)CC1 CCC[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)N1CCN(CC1)[*:1]
O=C(NCc1cc2ccccc2o1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(NCc1cc2ccccc2o1)N[*:1]
C[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)N1CCN(CC1)S(C)(=O)=O)[*:1]
O=S(=O)(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 FC(F)(F)[*:1] O=S(=O)(NCC#CCOc1cccc(c1)[*:1])c1ccc(F)cc1
O=S(=O)(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(NCC#CCOc1cccc(c1)C(F)(F)F)[*:1]
COc1cccc(Oc2ccc(NC(=O)c3ccncc3Cl)cc2)c1 Clc1cnccc1[*:1] COc1cccc(c1)Oc1ccc(cc1)NC(=O)[*:1]
COc1cccc(Oc2ccc(NC(=O)c3ccncc3Cl)cc2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccncc1Cl
C[C@H]1CN(C(=O)NCc2ncnn2C)C[C@@H](C)O1 Cn1ncnc1[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)NC[*:1]
COC(=O)C[C@H](NC(=O)c1cc(C)on1)c1cccc(Cl)c1 COC(=O)C[*:1] Cc1cc(no1)C(=O)N[C@H](c1cccc(Cl)c1)[*:1]
COC(=O)C[C@H](NC(=O)c1cc(C)on1)c1cccc(Cl)c1 COC(=O)[*:1] Cc1cc(no1)C(=O)N[C@@H](C[*:1])c1cccc(Cl)c1
COC(=O)C[C@H](NC(=O)c1cc(C)on1)c1cccc(Cl)c1 Cc1cc(no1)[*:1] COC(=O)C[C@H](NC(=O)[*:1])c1cccc(Cl)c1
COC(=O)C[C@H](NC(=O)c1cc(C)on1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)C[C@H](NC(=O)c1cc(C)on1)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cnc2ccc(F)cc2c1 OCC[*:1] C[C@@H](N(Cc1ccccc1)C(=O)c1cnc2ccc(F)cc2c1)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cnc2ccc(F)cc2c1 c1ccc(cc1)[*:1] C[C@@H](CCO)N(C[*:1])C(=O)c1cnc2ccc(F)cc2c1
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cnc2ccc(F)cc2c1 c1ccc(cc1)C[*:1] C[C@@H](CCO)N(C(=O)c1cnc2ccc(F)cc2c1)[*:1]
[NH3+]C[C@H]1CC[C@@H](C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)O1 C1C[C@@H](CS1)[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)N(C[C@@H]1CCCO1)[*:1]
[NH3+]C[C@H]1CC[C@@H](C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)O1 C1CO[C@@H](C1)[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)N(C[*:1])[C@H]1CCSC1
[NH3+]C[C@H]1CC[C@@H](C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)O1 C1CO[C@@H](C1)C[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)N([C@H]1CCSC1)[*:1]
O=S(=O)(CCCF)N1CCC(c2c[nH]c3ncccc23)CC1 FCC[*:1] O=S(=O)(C[*:1])N1CCC(CC1)c1c[nH]c2ncccc12
O=S(=O)(CCCF)N1CCC(c2c[nH]c3ncccc23)CC1 FCCC[*:1] O=S(=O)(N1CCC(CC1)c1c[nH]c2ncccc12)[*:1]
Cc1cc([N+](=O)[O-])cnc1Oc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(cnc1Oc1ccccc1[N+](=O)[O-])[*:1]
Cc1cc([N+](=O)[O-])cnc1Oc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(cnc1Oc1ccccc1[*:1])[N+](=O)[O-]
CCOc1ccccc1OC/C=C/C[NH+](C)C CCO[*:1] C[NH+](C)C/C=C/COc1ccccc1[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ccc1OC(F)F FC(F)O[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ccc1[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ccc1OC(F)F FC(F)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ccc1O[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ccc1OC(F)F CC[S@@](=O)[*:1] Cc1ccc(OC(F)F)c(c1)C[NH2+][C@H]1CCCC[C@@H]1[*:1]
C[C@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3cccnc3)n2N)[C@@H]1C c1cncc(c1)[*:1] C[C@H]1CCC[C@@H](NC(=O)CSc2nnc(n2N)[*:1])[C@@H]1C
COC(=O)C(C)(C)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)S(=O)(=O)c1ccc(F)c(F)c1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 COC(=O)C(C)(C)[*:1] O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H](C1)[*:1]
CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(COC)nn2[C@@H]1c1ccc2c(c1)OCCCO2 CCO[*:1] COCc1nc2NC(C)=C(C(=O)Nc3ccccc3[*:1])[C@@H](c3ccc4OCCCOc4c3)n2n1
CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(COC)nn2[C@@H]1c1ccc2c(c1)OCCCO2 c1cc2OCCCOc2cc1[*:1] CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(COC)nn2[C@H]1[*:1]
CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(COC)nn2[C@@H]1c1ccc2c(c1)OCCCO2 COC[*:1] CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1ccc2OCCCOc2c1)[*:1]
CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(COC)nn2[C@@H]1c1ccc2c(c1)OCCCO2 CCOc1ccccc1[*:1] COCc1nc2NC(C)=C(C(=O)N[*:1])[C@@H](c3ccc4OCCCOc4c3)n2n1
CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(COC)nn2[C@@H]1c1ccc2c(c1)OCCCO2 CCOc1ccccc1NC(=O)[*:1] COCc1nc2NC(C)=C([C@@H](c3ccc4OCCCOc4c3)n2n1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 c1nnc(s1)[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 O=C(Nc1nncs1)[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 Clc1ccc(O[*:1])c(Cl)c1 C[C@@H](C(=O)N1CCC(CC1)C(=O)Nc1nncs1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 Clc1ccc(c(Cl)c1)[*:1] C[C@@H](O[*:1])C(=O)N1CCC(CC1)C(=O)Nc1nncs1
C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cn[nH]c2)c1 c1n[nH]cc1[*:1] C#Cc1cccc(c1)N(Cc1cccs1)S(=O)(=O)[*:1]
C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cn[nH]c2)c1 c1csc(c1)[*:1] C#Cc1cccc(c1)N(C[*:1])S(=O)(=O)c1cn[nH]c1
C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2cn[nH]c2)c1 c1csc(c1)C[*:1] C#Cc1cccc(c1)N(S(=O)(=O)c1cn[nH]c1)[*:1]
CC(=O)NCCn1c(SCC(=O)[O-])nc2cccnc21 O=C([O-])C[*:1] CC(=O)NCCn1c(nc2cccnc21)S[*:1]
CC(=O)NCCn1c(SCC(=O)[O-])nc2cccnc21 CC(=O)N[*:1] O=C([O-])CSc1nc2cccnc2n1CC[*:1]
CC(=O)NCCn1c(SCC(=O)[O-])nc2cccnc21 CC(=O)NC[*:1] O=C([O-])CSc1nc2cccnc2n1C[*:1]
CC(=O)NCCn1c(SCC(=O)[O-])nc2cccnc21 CC(=O)NCC[*:1] O=C([O-])CSc1nc2cccnc2n1[*:1]
CC(=O)NCCn1c(SCC(=O)[O-])nc2cccnc21 O=C([O-])[*:1] CC(=O)NCCn1c(nc2cccnc21)SC[*:1]
CC(=O)NCCn1c(SCC(=O)[O-])nc2cccnc21 O=C([O-])CS[*:1] CC(=O)NCCn1c(nc2cccnc21)[*:1]
CC(C)c1c(CO)cnn1Cc1cccc(Cl)c1 CC(C)[*:1] OCc1cnn(Cc2cccc(Cl)c2)c1[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)C1 CC(C)C[*:1] O=C(NC[C@H]1CN(CCO1)[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
CC(C)CN1CCO[C@@H](CNC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)C1 CC(C)[*:1] O=C(NC[C@H]1CN(CCO1)C[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
CCN(CCOC)[C@]1(C[NH3+])CCCS[C@@H]1C COC[*:1] CCN(C[*:1])[C@]1(C[NH3+])CCCS[C@@H]1C
CCN(CCOC)[C@]1(C[NH3+])CCCS[C@@H]1C COCC[*:1] CCN([C@]1(C[NH3+])CCCS[C@@H]1C)[*:1]
Cc1cc(NC(=O)c2ccc(SC(F)F)cc2)c(C(N)=O)cc1F NC(=O)[*:1] Cc1cc(NC(=O)c2ccc(cc2)SC(F)F)c(cc1F)[*:1]
Cc1cc(NC(=O)c2ccc(SC(F)F)cc2)c(C(N)=O)cc1F FC(F)[*:1] Cc1cc(NC(=O)c2ccc(cc2)S[*:1])c(cc1F)C(N)=O
Cc1cc(NC(=O)c2ccc(SC(F)F)cc2)c(C(N)=O)cc1F FC(F)S[*:1] Cc1cc(NC(=O)c2ccc(cc2)[*:1])c(cc1F)C(N)=O
CCCc1cc(NC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)n(C)n1 CCC[*:1] CN(C(=O)Nc1cc(nn1C)[*:1])[C@H]1CCN(C1=O)c1ccccc1F
CCCc1cc(NC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)n(C)n1 Fc1ccccc1[*:1] CCCc1cc(NC(=O)N(C)[C@H]2CCN(C2=O)[*:1])n(C)n1
CCCc1cc(NC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)n(C)n1 CCCc1cc(n(C)n1)[*:1] CN(C(=O)N[*:1])[C@H]1CCN(C1=O)c1ccccc1F
Cc1cccc(NC(=O)N(C)Cc2sccc2C)c1 Cc1ccsc1[*:1] Cc1cccc(c1)NC(=O)N(C)C[*:1]
O=S(=O)(Oc1ccc(-n2cnnn2)cc1)c1ccc(Br)cc1Cl c1nnnn1[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccc(Br)cc1Cl
CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)C(=O)NCc1ccccc1 CCc1nn(C)cc1[*:1] C[C@@H](NC(=O)C(=O)N[*:1])C(=O)NCc1ccccc1
CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)C(=O)NC[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)C(=O)N[*:1]
CC(=O)N(C)c1cccc(Nc2cc(C)nc3ncnn23)c1 CC(=O)N(C)[*:1] Cc1cc(Nc2cccc(c2)[*:1])n2ncnc2n1
CC(C)OCc1cccc(N[C@H](C)C(=O)NC(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] CC(C)OCc1cccc(c1)N[C@H](C)C(=O)NC(=O)N[*:1]
CC(C)OCc1cccc(N[C@H](C)C(=O)NC(=O)NC(C)(C)C)c1 CC(C)OC[*:1] C[C@@H](Nc1cccc(c1)[*:1])C(=O)NC(=O)NC(C)(C)C
CC(C)OCc1cccc(N[C@H](C)C(=O)NC(=O)NC(C)(C)C)c1 CC(C)[*:1] C[C@@H](Nc1cccc(c1)CO[*:1])C(=O)NC(=O)NC(C)(C)C
CC(C)OCc1cccc(N[C@H](C)C(=O)NC(=O)NC(C)(C)C)c1 CC(C)O[*:1] C[C@@H](Nc1cccc(c1)C[*:1])C(=O)NC(=O)NC(C)(C)C
CN1CCN(C(=O)[C@@]23CC[C@@](C)(c4nc5cc6c(cc5nc42)OCO6)C3(C)C)CC1 CN1CCN(CC1)C(=O)[*:1] CC1(C)[C@@]2(C)CC[C@]1(c1nc3cc4OCOc4cc3nc12)[*:1]
Cc1noc(C)c1CCCNC(=O)c1c(Cl)ccc(Cl)c1Cl Cc1noc(C)c1[*:1] O=C(NCCC[*:1])c1c(Cl)ccc(Cl)c1Cl
Oc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)cc1Br FC(F)(F)[*:1] Oc1ccc(cc1Br)C[NH2+][C@H]1CCCC[C@H]1[*:1]
Cc1cc2nc(N(Cc3ccncc3)C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)sc2cc1C c1cc(ccn1)[*:1] Cc1cc2nc(sc2cc1C)N(C[*:1])C(=O)c1ccc(cc1)S(=O)(=O)C(C)C
Cc1cc2nc(N(Cc3ccncc3)C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)sc2cc1C Cc1cc2nc(sc2cc1C)[*:1] CC(C)S(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccncc1)[*:1]
Cc1cc2nc(N(Cc3ccncc3)C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)sc2cc1C CC(C)S(=O)(=O)[*:1] Cc1cc2nc(sc2cc1C)N(Cc1ccncc1)C(=O)c1ccc(cc1)[*:1]
Cc1cc2nc(N(Cc3ccncc3)C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)sc2cc1C c1cc(ccn1)C[*:1] Cc1cc2nc(sc2cc1C)N(C(=O)c1ccc(cc1)S(=O)(=O)C(C)C)[*:1]
Cc1cc2nc(N(Cc3ccncc3)C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)sc2cc1C CC(C)[*:1] Cc1cc2nc(sc2cc1C)N(Cc1ccncc1)C(=O)c1ccc(cc1)S(=O)(=O)[*:1]
Cc1cc(NC(=O)[C@@H](C)c2cccs2)cnc1Cl c1csc(c1)[*:1] Cc1cc(cnc1Cl)NC(=O)[C@@H](C)[*:1]
CCOCC[NH2+]Cc1c(C)nn(C)c1C CCOCC[*:1] Cc1nn(C)c(C)c1C[NH2+][*:1]
CCOCC[NH2+]Cc1c(C)nn(C)c1C CCO[*:1] Cc1nn(C)c(C)c1C[NH2+]CC[*:1]
CCOCC[NH2+]Cc1c(C)nn(C)c1C CCOC[*:1] Cc1nn(C)c(C)c1C[NH2+]C[*:1]
CCOC(=O)c1s/c(=N/C(=O)c2ccccc2S(=O)(=O)CC)n(C)c1C CCOC(=O)[*:1] CCS(=O)(=O)c1ccccc1C(=O)/N=c1/sc(c(C)n1C)[*:1]
CCOC(=O)c1s/c(=N/C(=O)c2ccccc2S(=O)(=O)CC)n(C)c1C CCS(=O)(=O)[*:1] CCOC(=O)c1s/c(=N/C(=O)c2ccccc2[*:1])n(C)c1C
COC[C@H](O)CCCC(F)(F)F FC(F)(F)[*:1] COC[C@H](O)CCC[*:1]
COC[C@H](O)CCCC(F)(F)F COC[*:1] O[C@H](CCCC(F)(F)F)[*:1]
COc1ccc(CCNC(=O)[C@@]23CC[C@@](C)(c4nc5ccc([N+](=O)[O-])cc5nc42)C3(C)C)cc1OC COc1ccc(cc1OC)[*:1] CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCC[*:1])c1nc3cc(ccc3nc12)[N+](=O)[O-]
COc1ccc(CCNC(=O)[C@@]23CC[C@@](C)(c4nc5ccc([N+](=O)[O-])cc5nc42)C3(C)C)cc1OC COc1ccc(cc1OC)CC[*:1] CC1(C)[C@@]2(C)CC[C@]1(C(=O)N[*:1])c1nc3cc(ccc3nc12)[N+](=O)[O-]
COc1ccc(CCNC(=O)[C@@]23CC[C@@](C)(c4nc5ccc([N+](=O)[O-])cc5nc42)C3(C)C)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)CCNC(=O)[C@@]12CC[C@@](C)(c3nc4ccc(cc4nc31)[*:1])C2(C)C
COc1ccc(CCNC(=O)[C@@]23CC[C@@](C)(c4nc5ccc([N+](=O)[O-])cc5nc42)C3(C)C)cc1OC COc1ccc(cc1OC)C[*:1] CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC[*:1])c1nc3cc(ccc3nc12)[N+](=O)[O-]
CC(C)c1nnc2c(=O)n(CC(=O)Nc3ccc(Br)cc3F)c3ccccc3n12 CC(C)[*:1] O=C(Cn1c(=O)c2nnc(n2c2ccccc21)[*:1])Nc1ccc(Br)cc1F
CC(C)c1nnc2c(=O)n(CC(=O)Nc3ccc(Br)cc3F)c3ccccc3n12 Fc1cc(Br)ccc1[*:1] CC(C)c1nnc2c(=O)n(CC(=O)N[*:1])c3ccccc3n12
C[C@H](CCCO)NC(=O)C[C@H]1CCS(=O)(=O)C1 OCCC[*:1] C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)[*:1]
C[C@H](CCCO)NC(=O)C[C@H]1CCS(=O)(=O)C1 OCC[*:1] C[C@H](C[*:1])NC(=O)C[C@H]1CCS(=O)(=O)C1
Cn1cc(C(=O)N2C[C@@H](c3cc(C(F)F)[nH]n3)[C@H](c3ccccc3)C2)ccc1=O FC(F)[*:1] Cn1cc(ccc1=O)C(=O)N1C[C@@H](c2cc([nH]n2)[*:1])[C@@H](C1)c1ccccc1
Cn1cc(C(=O)N2C[C@@H](c3cc(C(F)F)[nH]n3)[C@H](c3ccccc3)C2)ccc1=O Cn1cc(ccc1=O)[*:1] O=C(N1C[C@@H](c2cc([nH]n2)C(F)F)[C@@H](C1)c1ccccc1)[*:1]
Cn1cc(C(=O)N2C[C@@H](c3cc(C(F)F)[nH]n3)[C@H](c3ccccc3)C2)ccc1=O c1ccc(cc1)[*:1] Cn1cc(ccc1=O)C(=O)N1C[C@@H](c2cc([nH]n2)C(F)F)[C@H](C1)[*:1]
Cc1ncsc1CNc1ccccc1OCC(F)F FC(F)C[*:1] Cc1ncsc1CNc1ccccc1O[*:1]
Cc1ncsc1CNc1ccccc1OCC(F)F Cc1ncsc1[*:1] FC(F)COc1ccccc1NC[*:1]
Cc1ncsc1CNc1ccccc1OCC(F)F FC(F)[*:1] Cc1ncsc1CNc1ccccc1OC[*:1]
Cc1ncsc1CNc1ccccc1OCC(F)F FC(F)CO[*:1] Cc1ncsc1CNc1ccccc1[*:1]
CC(=O)c1ccccc1OCCCCN1C[C@H](C)O[C@@H](C)C1 CC(=O)[*:1] C[C@H]1CN(CCCCOc2ccccc2[*:1])C[C@H](C)O1
O=C([O-])c1cc(-c2cccc(C(F)(F)F)c2)nc2c(F)cccc12 O=C([O-])[*:1] Fc1cccc2c(cc(nc12)-c1cccc(c1)C(F)(F)F)[*:1]
O=C([O-])c1cc(-c2cccc(C(F)(F)F)c2)nc2c(F)cccc12 FC(F)(F)[*:1] O=C([O-])c1cc(nc2c(F)cccc12)-c1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](COS(C)(=O)=O)C1 CS(=O)(=O)OC[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](COS(C)(=O)=O)C1 CC(C)(C)[*:1] CS(=O)(=O)OC[C@@H]1CCCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](COS(C)(=O)=O)C1 CS(=O)(=O)O[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)C[*:1]
CC/[NH+]=C(/NCc1nc(C)no1)N[C@H]1CCN(c2ccccc2)C1 Cc1noc(C[*:1])n1 CC/[NH+]=C(\N[C@H]1CCN(C1)c1ccccc1)N[*:1]
CC/[NH+]=C(/NCc1nc(C)no1)N[C@H]1CCN(c2ccccc2)C1 Cc1noc(n1)[*:1] CC/[NH+]=C(/NC[*:1])N[C@H]1CCN(C1)c1ccccc1
CC/[NH+]=C(/NCc1nc(C)no1)N[C@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CC/[NH+]=C(/NCc1nc(C)no1)N[C@H]1CCN(C1)[*:1]
CCc1noc(CC)c1CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CCc1noc(CC)c1CNC(=O)Nc1cnn(c1)C[*:1]
CCc1noc(CC)c1CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] CCc1noc(CC)c1CNC(=O)Nc1cnn(c1)[*:1]
Cc1cnc(C(C)(C)NC(=O)N[C@H]2C[C@H]2C2CCCCC2)s1 C1CCC(CC1)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)N[C@H]1C[C@@H]1[*:1]
Cc1cnc(C(C)(C)NC(=O)N[C@H]2C[C@H]2C2CCCCC2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)N[C@H]1C[C@H]1C1CCCCC1)[*:1]
C[C@@H](NC(=O)CN1C(=O)COCC1=O)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)CN1C(=O)COCC1=O)[*:1]
O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)N1CCc2cc(Cl)ccc21 Fc1ccc(cc1)OC[*:1] O=C(NC1CC[NH+](CC1)C[*:1])N1CCc2cc(Cl)ccc21
O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)N1CCc2cc(Cl)ccc21 Fc1ccc(cc1)O[*:1] O=C(NC1CC[NH+](CC1)CC[*:1])N1CCc2cc(Cl)ccc21
O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)N1CCc2cc(Cl)ccc21 Fc1ccc(cc1)[*:1] O=C(NC1CC[NH+](CCO[*:1])CC1)N1CCc2cc(Cl)ccc21
COc1ccc(-c2ccnc3nc(Nc4ccc(C)cc4C)[nH]c(=O)c23)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(Nc2nc3nccc(c3c(=O)[nH]2)[*:1])c(C)c1
COc1ccc(-c2ccnc3nc(Nc4ccc(C)cc4C)[nH]c(=O)c23)cc1OC Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1OC)-c1ccnc2nc(N[*:1])[nH]c(=O)c12
COc1ccc(-c2ccnc3nc(Nc4ccc(C)cc4C)[nH]c(=O)c23)cc1OC Cc1ccc(N[*:1])c(C)c1 COc1ccc(cc1OC)-c1ccnc2nc([nH]c(=O)c12)[*:1]
C[C@@H]1C[C@@H](N2CCN(C(=O)c3cccs3)CC2)C(=O)O1 c1csc(c1)[*:1] C[C@@H]1C[C@H](C(=O)O1)N1CCN(CC1)C(=O)[*:1]
CCc1nn(C)cc1NC(=O)N[C@@H](CC)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCc1nn(C)cc1NC(=O)N[C@@H](CC)[*:1]
O[C@H](c1nccs1)c1ccccc1N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] O[C@H](c1nccs1)c1ccccc1N1CCN(CC1)[*:1]
O[C@H](c1nccs1)c1ccccc1N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1[*:1] O[C@H](c1nccs1)c1ccccc1N1CCN(CC1)C[*:1]
O[C@H](c1nccs1)c1ccccc1N1CCN(Cc2ccccc2F)CC1 c1csc(n1)[*:1] O[C@H](c1ccccc1N1CCN(CC1)Cc1ccccc1F)[*:1]
CC(C)COC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 CC(C)COC(=O)[*:1] Nc1c(c2nc3ccccc3nc2n1Cc1ccc2OCOc2c1)[*:1]
CC(C)COC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 CC(C)[*:1] Nc1c(C(=O)OC[*:1])c2nc3ccccc3nc2n1Cc1ccc2OCOc2c1
CC(C)COC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 c1cc2OCOc2cc1C[*:1] CC(C)COC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
CC(C)COC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 CC(C)C[*:1] Nc1c(C(=O)O[*:1])c2nc3ccccc3nc2n1Cc1ccc2OCOc2c1
CC(C)COC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 c1cc2OCOc2cc1[*:1] CC(C)COC(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
Cc1c(COC(=O)c2cc[nH]n2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])COC(=O)c1cc[nH]n1
Cc1c(COC(=O)c2cc[nH]n2)cccc1[N+](=O)[O-] c1cc(n[nH]1)[*:1] Cc1c(cccc1[N+](=O)[O-])COC(=O)[*:1]
COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OC[*:1])C[NH2+][C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(ccc1O[*:1])C[NH2+][C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(ccc1[*:1])C[NH2+][C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
Cn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCCCCCC1 O=[N+]([O-])[*:1] COc1ccc(cc1S(=O)(=O)NC1CCCCCCC1)[*:1]
C[C@@H](Nc1ccc(OC(F)F)cn1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@@H](Nc1ccc(cn1)OC(F)F)c1ccc(cc1)NC(=O)[*:1]
C[C@@H](Nc1ccc(OC(F)F)cn1)c1ccc(NC(=O)C2CC2)cc1 FC(F)O[*:1] C[C@@H](Nc1ccc(cn1)[*:1])c1ccc(cc1)NC(=O)C1CC1
C[C@@H](Nc1ccc(OC(F)F)cn1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@@H](Nc1ccc(cn1)OC(F)F)c1ccc(cc1)[*:1]
C[C@@H](Nc1ccc(OC(F)F)cn1)c1ccc(NC(=O)C2CC2)cc1 FC(F)[*:1] C[C@@H](Nc1ccc(cn1)O[*:1])c1ccc(cc1)NC(=O)C1CC1
CCOC(=O)c1c(C)csc1NC(=O)N1CCC[C@@H](OC)C1 CCOC(=O)[*:1] CO[C@@H]1CCCN(C1)C(=O)Nc1scc(C)c1[*:1]
C/C(=N\NC(=O)C(=O)Nc1ccc(Br)cc1C)c1ccncc1 c1cc(ccn1)[*:1] CC(=NNC(=O)C(=O)Nc1ccc(Br)cc1C)[*:1]
CCCn1/c(=N/C(C)=O)sc2cc3c(cc21)OCO3 CCC[*:1] CC(=O)/N=c1\sc2cc3OCOc3cc2n1[*:1]
Cc1ccc2cccc(Nc3ncnc(Nc4ccc5c(c4)OCO5)c3[N+](=O)[O-])c2n1 c1cc2OCOc2cc1N[*:1] Cc1ccc2cccc(Nc3ncnc(c3[N+](=O)[O-])[*:1])c2n1
Cc1ccc2cccc(Nc3ncnc(Nc4ccc5c(c4)OCO5)c3[N+](=O)[O-])c2n1 c1cc2OCOc2cc1[*:1] Cc1ccc2cccc(Nc3ncnc(N[*:1])c3[N+](=O)[O-])c2n1
Cc1ccc2cccc(Nc3ncnc(Nc4ccc5c(c4)OCO5)c3[N+](=O)[O-])c2n1 O=[N+]([O-])[*:1] Cc1ccc2cccc(Nc3ncnc(Nc4ccc5OCOc5c4)c3[*:1])c2n1
CC(C)(CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1)[NH+]1CCCCC1 Clc1cc(c(Cl)s1)[*:1] CC(C)(CNC(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1])[NH+]1CCCCC1
CCC(CC)NC(=O)[C@H](C)Sc1nnc2n(C)c(=O)c3ccccc3n12 CCC(CC)NC(=O)[*:1] C[C@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)[*:1]
CCC(CC)NC(=O)[C@H](C)Sc1nnc2n(C)c(=O)c3ccccc3n12 CCC(CC)[*:1] C[C@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)C(=O)N[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCOC[C@H]1C1CC1 CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)N1CCOC[C@H]1C1CC1)[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] Cc1ccc(cc1NC(=O)N1CCOC[C@@H]1[*:1])C(=O)N(C)C
Cc1cc([C@@H]([NH2+]CCN(C)C)C(=O)[O-])ccc1Br CN(C)CC[*:1] Cc1cc(ccc1Br)[C@@H]([NH2+][*:1])C(=O)[O-]
Cc1cc([C@@H]([NH2+]CCN(C)C)C(=O)[O-])ccc1Br CN(C)[*:1] Cc1cc(ccc1Br)[C@@H]([NH2+]CC[*:1])C(=O)[O-]
Cc1cc([C@@H]([NH2+]CCN(C)C)C(=O)[O-])ccc1Br O=C([O-])[*:1] Cc1cc(ccc1Br)[C@@H]([NH2+]CCN(C)C)[*:1]
Cc1cc([C@@H]([NH2+]CCN(C)C)C(=O)[O-])ccc1Br CN(C)C[*:1] Cc1cc(ccc1Br)[C@@H]([NH2+]C[*:1])C(=O)[O-]
CCC(=O)c1ccc2c(c1)c1cc(C(=O)CC)ccc1n2C CCC(=O)[*:1] CCC(=O)c1ccc2c(c1)c1cc(ccc1n2C)[*:1]
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N+](C)(C)C1CCCC1 C1CCC(C1)[*:1] C[C@H](C(=O)Nc1sc2CCCCCc2c1C#N)[N+](C)(C)[*:1]
C[C@@H](Sc1nc2ccccc2n1C)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@@H](Sc1nc2ccccc2n1C)c1ccc(cc1)[*:1]
C[C@@H](Sc1nc2ccccc2n1C)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@@H](Sc1nc2ccccc2n1C)c1ccc(cc1)O[*:1]
O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)N[C@H]1CCCc2ccccc21 O=S(=O)(N1CCOCC1)[*:1] O=C(CSc1nc2cc(ccc2o1)[*:1])N[C@H]1CCCc2ccccc21
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CS[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)SC[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1ncn[nH]1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)CSc1ncn[nH]1
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)S[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1ncn[nH]1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CNC(=O)CSc1ncn[nH]1)[*:1]
CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CC(=O)N1c2ccccc2NC2CCCC(=O)C=2[C@H]1[*:1]
CCOC(=O)N1CCN(c2nc(N3CCCC3)cc(C)c2C#N)CC1 C1CCN(C1)[*:1] CCOC(=O)N1CCN(CC1)c1nc(cc(C)c1C#N)[*:1]
CCOC(=O)C1CCN(C(=O)c2cc3ccc(Cl)cc3n2C)CC1 CCOC(=O)[*:1] Cn1c(cc2ccc(Cl)cc21)C(=O)N1CCC(CC1)[*:1]
NC(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)[O-])CC2)C1 O=C([O-])[*:1] NC(=O)N1CCC[C@@H](C1)C(=O)N1CCC(CC1)[*:1]
COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)/C2=C/Nc1ccccc1OC COc1ccccc1N[*:1] COc1ccc2C(=C[*:1])C(=O)N(C(=O)c2c1)c1ccc(C)cc1C
COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)/C2=C/Nc1ccccc1OC COc1ccccc1[*:1] COc1ccc2/C(=C\N[*:1])C(=O)N(C(=O)c2c1)c1ccc(C)cc1C
COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)/C2=C/Nc1ccccc1OC Cc1ccc(c(C)c1)[*:1] COc1ccc2/C(=C\Nc3ccccc3OC)C(=O)N(C(=O)c2c1)[*:1]
O=C(CCCc1nc2ccccc2s1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(CCC[*:1])N1CCC[NH+](CC1)Cc1ccc(F)cc1
O=C(CCCc1nc2ccccc2s1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCCc1nc2ccccc2s1)N1CCC[NH+](CC1)C[*:1]
O=C(CCCc1nc2ccccc2s1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(CCCc1nc2ccccc2s1)N1CCC[NH+](CC1)[*:1]
COC(C)(C)CNC(=O)COC1CCCC1 C1CCC(C1)[*:1] COC(C)(C)CNC(=O)CO[*:1]
COC(C)(C)CNC(=O)COC1CCCC1 COC(C)(C)[*:1] O=C(COC1CCCC1)NC[*:1]
Cn1cnc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)n1 CC(C)(C)[*:1] Cn1cnc(C[NH2+]Cc2ccc(cc2)[*:1])n1
Cn1cnc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)n1 Cn1cnc(n1)[*:1] CC(C)(C)c1ccc(cc1)C[NH2+]C[*:1]
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc(C)c(C(=O)[O-])c2c1 O=C([O-])[*:1] Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc(C)c(c2c1)[*:1]
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc(C)c(C(=O)[O-])c2c1 Cc1cc(F)ccc1[*:1] Cc1oc2ccc(cc2c1C(=O)[O-])NS(=O)(=O)[*:1]
Cc1cnc(-c2cccc(NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3)c2)o1 Cc1cnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N[C@@H]1CCN(C1)c1ccccc1
Cc1cnc(-c2cccc(NC(=O)C(=O)N[C@@H]3CCN(c4ccccc4)C3)c2)o1 c1ccc(cc1)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)C(=O)N[C@@H]1CCN(C1)[*:1]
c1ccc(COCCc2ncnc3sccc23)cc1 c1ccc(cc1)[*:1] c1nc(CCOC[*:1])c2ccsc2n1
CCCn1c(CN2CCN(c3cccc[nH+]3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 O=S(=O)(N1CCOCC1)[*:1] CCCn1c(CN2CCN(CC2)c2cccc[nH+]2)nc2cc(ccc21)[*:1]
CCCn1c(CN2CCN(c3cccc[nH+]3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 CCC[*:1] O=S(=O)(c1ccc2c(c1)nc(CN1CCN(CC1)c1cccc[nH+]1)n2[*:1])N1CCOCC1
C[C@@H](C[NH2+]Cc1cc[nH]c1)c1ccc(F)c(F)c1 c1cc(c[nH]1)[*:1] C[C@@H](C[NH2+]C[*:1])c1ccc(F)c(F)c1
Cc1cc(NC(=O)CSc2nnc(CC3CCCC3)[nH]2)no1 Cc1cc(no1)[*:1] O=C(CSc1nnc(CC2CCCC2)[nH]1)N[*:1]
Cc1cc(NC(=O)CSc2nnc(CC3CCCC3)[nH]2)no1 C1CCC(C1)[*:1] Cc1cc(no1)NC(=O)CSc1nnc(C[*:1])[nH]1
Cc1cc(NC(=O)CSc2nnc(CC3CCCC3)[nH]2)no1 C1CCC(C1)C[*:1] Cc1cc(no1)NC(=O)CSc1nnc([nH]1)[*:1]
COc1ccccc1[C@@H](Nc1ncc(Cl)cc1F)c1[nH+]ccn1C COc1ccccc1[*:1] Cn1cc[nH+]c1[C@H](Nc1ncc(Cl)cc1F)[*:1]
COc1ccccc1[C@@H](Nc1ncc(Cl)cc1F)c1[nH+]ccn1C Fc1cc(Cl)cnc1[*:1] COc1ccccc1[C@@H](N[*:1])c1[nH+]ccn1C
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(OC)nn1 CCC[*:1] COc1ccc(nn1)C(=O)N1CCC[C@H](C)[C@H]1[*:1]
CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)c1cn2cccnc2n1 c1cnc2nc(cn2c1)[*:1] CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)[*:1]
CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)c1cn2cccnc2n1 CNC(=O)[*:1] O=C(c1cn2cccnc2n1)N1CCCCC[C@@H]1Cc1c(sc2ccccc12)[*:1]
C[C@H]1COc2ccccc2N1CC(=O)N(C)CC(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H]1COc2ccccc2N1CC(=O)N(C)C[*:1]
C[C@H]1COc2ccccc2N1CC(=O)N(C)CC(=O)NC(C)(C)C CC(C)(C)NC(=O)C[*:1] C[C@H]1COc2ccccc2N1CC(=O)N(C)[*:1]
C[C@H]1COc2ccccc2N1CC(=O)N(C)CC(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H]1COc2ccccc2N1CC(=O)N(C)CC(=O)N[*:1]
NC(=O)CCSCCOc1ccc(Cl)cc1 NC(=O)CC[*:1] Clc1ccc(cc1)OCCS[*:1]
NC(=O)CCSCCOc1ccc(Cl)cc1 NC(=O)C[*:1] Clc1ccc(cc1)OCCSC[*:1]
NC(=O)CCSCCOc1ccc(Cl)cc1 NC(=O)[*:1] Clc1ccc(cc1)OCCSCC[*:1]
O=C(Nc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)c1nsc2ccccc12 c1ccc2c(nsc2c1)[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(Nc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)c1nsc2ccccc12 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)N1CCN(CC1)[*:1])c1nsc2ccccc12
Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OCCC(C)C)n[nH]1 CC(C)CC[*:1] Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2O[*:1])n[nH]1
Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OCCC(C)C)n[nH]1 CC(C)[*:1] Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OCC[*:1])n[nH]1
Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OCCC(C)C)n[nH]1 Cc1cc(n[nH]1)[*:1] CC(C)CCO[C@H]1CCCC[C@H]1NC(=O)C[*:1]
Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OCCC(C)C)n[nH]1 Cc1cc(C[*:1])n[nH]1 CC(C)CCO[C@H]1CCCC[C@H]1NC(=O)[*:1]
Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OCCC(C)C)n[nH]1 CC(C)CCO[*:1] Cc1cc(CC(=O)N[C@@H]2CCCC[C@H]2[*:1])n[nH]1
Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OCCC(C)C)n[nH]1 CC(C)C[*:1] Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OC[*:1])n[nH]1
CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21 Clc1ccccc1C[*:1] CCc1ccccc1NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21 CCc1ccccc1[*:1] O=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21)N[*:1]
CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21 Clc1ccccc1[*:1] CCc1ccccc1NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
CCOc1ccccc1NC(=S)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] CCOc1ccccc1NC(=S)N1CCN(CC1)[*:1]
CCOc1ccccc1NC(=S)N1CCN(c2ccccc2F)CC1 CCO[*:1] Fc1ccccc1N1CCN(CC1)C(=S)Nc1ccccc1[*:1]
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 CC(C)(C)c1ccc(cc1)[*:1] Cc1nnc(s1)N1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1[*:1]
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 O=C(c1cccs1)[*:1] Cc1nnc(s1)N1C(=O)C(O)=C([C@@H]1c1ccc(cc1)C(C)(C)C)[*:1]
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 c1csc(c1)[*:1] Cc1nnc(s1)N1C(=O)C(O)=C(C(=O)[*:1])[C@@H]1c1ccc(cc1)C(C)(C)C
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 CC(C)(C)[*:1] Cc1nnc(s1)N1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(cc1)[*:1]
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 Cc1nnc(s1)[*:1] CC(C)(C)c1ccc(cc1)[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1[*:1]
COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)CC[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N[C@@H](C)[*:1]
COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)C[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N[C@@H](C)C[*:1]
COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)N[C@@H](C)CCc1ccccc1
COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N[C@@H](C)CC[*:1]
COc1ccccc1Nc1nc(OCC(=O)[O-])cc(-c2ccc(C)cc2)n1 O=C([O-])C[*:1] COc1ccccc1Nc1nc(cc(n1)-c1ccc(C)cc1)O[*:1]
COc1ccccc1Nc1nc(OCC(=O)[O-])cc(-c2ccc(C)cc2)n1 O=C([O-])[*:1] COc1ccccc1Nc1nc(cc(n1)-c1ccc(C)cc1)OC[*:1]
COc1ccccc1Nc1nc(OCC(=O)[O-])cc(-c2ccc(C)cc2)n1 COc1ccccc1[*:1] Cc1ccc(cc1)-c1cc(nc(n1)N[*:1])OCC(=O)[O-]
COc1ccccc1Nc1nc(OCC(=O)[O-])cc(-c2ccc(C)cc2)n1 COc1ccccc1N[*:1] Cc1ccc(cc1)-c1cc(nc(n1)[*:1])OCC(=O)[O-]
COc1ccccc1Nc1nc(OCC(=O)[O-])cc(-c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] COc1ccccc1Nc1nc(cc(n1)[*:1])OCC(=O)[O-]
Cc1cc(CN(C)C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)no1 CC(C)[*:1] Cc1cc(CN(C)C(=O)c2nnn(-c3ccc(cc3)O[*:1])c2C)no1
Cc1cc(CN(C)C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)no1 Cc1cc(no1)[*:1] Cc1c(nnn1-c1ccc(cc1)OC(C)C)C(=O)N(C)C[*:1]
Cc1cc(CN(C)C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)no1 Cc1cc(C[*:1])no1 Cc1c(nnn1-c1ccc(cc1)OC(C)C)C(=O)N(C)[*:1]
Cc1cc(CN(C)C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)no1 CC(C)O[*:1] Cc1cc(CN(C)C(=O)c2nnn(-c3ccc(cc3)[*:1])c2C)no1
Cc1ccc([O-])c(CN2CCN(C(=O)c3ccccc3O)CC2)[nH+]1 Oc1ccccc1[*:1] Cc1ccc([O-])c(CN2CCN(CC2)C(=O)[*:1])[nH+]1
Cn1c(NC(=O)CSCc2ccccc2)cc(=O)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(cc(=O)n(C)c1=O)NC(=O)CSC[*:1]
Cn1c(NC(=O)CSCc2ccccc2)cc(=O)n(C)c1=O c1ccc(cc1)C[*:1] Cn1c(cc(=O)n(C)c1=O)NC(=O)CS[*:1]
CCOC(=O)[C@@H](CC)c1nc([C@@H]2CCC[C@H](C)C2)no1 CCOC(=O)[*:1] CC[C@@H](c1nc(no1)[C@@H]1CCC[C@H](C)C1)[*:1]
C[C@@]1(C(=O)NC2CCCC2)Cn2c(nc3ccccc32)C(=O)N1Cc1cccc(Br)c1 C1CCC(C1)[*:1] C[C@]1(Cn2c(nc3ccccc32)C(=O)N1Cc1cccc(Br)c1)C(=O)N[*:1]
C[C@@]1(C(=O)NC2CCCC2)Cn2c(nc3ccccc32)C(=O)N1Cc1cccc(Br)c1 O=C(NC1CCCC1)[*:1] C[C@]1(Cn2c(nc3ccccc32)C(=O)N1Cc1cccc(Br)c1)[*:1]
C[C@@]1(C(=O)NC2CCCC2)Cn2c(nc3ccccc32)C(=O)N1Cc1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@]1(Cn2c(nc3ccccc32)C(=O)N1C[*:1])C(=O)NC1CCCC1
C[C@@]1(C(=O)NC2CCCC2)Cn2c(nc3ccccc32)C(=O)N1Cc1cccc(Br)c1 Brc1cccc(c1)C[*:1] C[C@]1(Cn2c(nc3ccccc32)C(=O)N1[*:1])C(=O)NC1CCCC1
Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CC[NH+](C)CC2)c(C)s1 O=S(=O)(N1CCCCC1)[*:1] Cc1cc(C(=O)Nc2cc(ccc2N2CC[NH+](C)CC2)[*:1])c(C)s1
Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CC[NH+](C)CC2)c(C)s1 Cc1cc(C(=O)N[*:1])c(C)s1 C[NH+]1CCN(CC1)c1ccc(cc1[*:1])S(=O)(=O)N1CCCCC1
Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CC[NH+](C)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[NH+]1CCN(CC1)c1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCCCC1
Cc1noc(NC(=O)C[C@H](C)c2ccc(F)cc2)n1 Cc1noc(n1)[*:1] C[C@@H](CC(=O)N[*:1])c1ccc(F)cc1
Cc1ncsc1COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C Cc1ncsc1[*:1] Cc1nn(C)c2nc(cc(C(=O)OC[*:1])c12)-c1ccccc1
Cc1ncsc1COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C c1ccc(cc1)[*:1] Cc1ncsc1COC(=O)c1cc(nc2c1c(C)nn2C)[*:1]
Cc1ncsc1COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C Cc1ncsc1C[*:1] Cc1nn(C)c2nc(cc(C(=O)O[*:1])c12)-c1ccccc1
CCn1c2ccccc2c2cc(C[NH2+]CCNC(=O)c3nonc3N)ccc21 Nc1nonc1[*:1] CCn1c2ccccc2c2cc(ccc21)C[NH2+]CCNC(=O)[*:1]
CCn1c2ccccc2c2cc(C[NH2+]CCNC(=O)c3nonc3N)ccc21 Nc1nonc1C(=O)N[*:1] CCn1c2ccccc2c2cc(ccc21)C[NH2+]CC[*:1]
O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 c1cc(ccn1)[*:1] O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@@H](C1)c1ncncc1[*:1]
O=C(CCn1c(=O)oc2ccccc21)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 O=c1oc2ccccc2n1[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)c1ncncc1-c1ccncc1
COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(F)ccc1NC(=O)c1ccccc1NC(=O)[*:1]
COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2C)cc1 Cc1cc(F)ccc1[*:1] COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
O=C(NC(=S)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl C1CO[C@@H](C1)[*:1] O=C(NC(=S)NC[*:1])c1ccc(Cl)cc1Cl
O=C(NC(=S)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl C1CO[C@@H](C1)C[*:1] O=C(NC(=S)N[*:1])c1ccc(Cl)cc1Cl
O=C(Nc1ccccc1)c1cccc(OC(=O)c2ncn(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)OC(=O)c1ncn(n1)-c1ccccc1
O=C(Nc1ccccc1)c1cccc(OC(=O)c2ncn(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1cccc(c1)OC(=O)c1ncn(n1)[*:1]
O=C(Nc1ccccc1)c1cccc(OC(=O)c2ncn(-c3ccccc3)n2)c1 O=C(Nc1ccccc1)[*:1] O=C(Oc1cccc(c1)[*:1])c1ncn(n1)-c1ccccc1
C#CCN1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 C#CC[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 C1CO[C@@H](C1)[*:1] C#CCN1CCN(CC1)C(=O)c1cnc(s1)[*:1]
Cc1cccc(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 Cc1cccc(c1)OC[*:1] O=C(NCc1ccc(cc1)-c1nc2ncccc2o1)[*:1]
Cc1cccc(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])NCc1ccc(cc1)-c1nc2ncccc2o1
Cc1cccc(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])NCc1ccc(cc1)-c1nc2ncccc2o1
Cc1cccc(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 c1cnc2nc(oc2c1)[*:1] Cc1cccc(c1)OCC(=O)NCc1ccc(cc1)[*:1]
CNc1ccc(C(F)(F)F)cc1C(=O)NCc1ccco1 FC(F)(F)[*:1] CNc1ccc(cc1C(=O)NCc1ccco1)[*:1]
CNc1ccc(C(F)(F)F)cc1C(=O)NCc1ccco1 c1coc(c1)[*:1] CNc1ccc(cc1C(=O)NC[*:1])C(F)(F)F
CNc1ccc(C(F)(F)F)cc1C(=O)NCc1ccco1 c1coc(c1)C[*:1] CNc1ccc(cc1C(=O)N[*:1])C(F)(F)F
COc1ccccc1/C=C/C[NH+]1CCN(CCO)CC1 OCC[*:1] COc1ccccc1/C=C/C[NH+]1CCN(CC1)[*:1]
Cc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 Cc1ccc(F)cc1[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
CN(C)c1cccc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 CN(C)[*:1] CC1(C)[C@@H](NC(=O)c2cccc(c2)[*:1])[C@H]2CCO[C@@H]21
CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] CS(=O)(=O)c1cccc(c1)-c1nnc(NC(=O)[*:1])o1
CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 O=[N+]([O-])[*:1] CS(=O)(=O)c1cccc(c1)-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 CS(=O)(=O)[*:1] O=C(Nc1nnc(o1)-c1cccc(c1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CCOC(=O)C1=C(N)N(C)c2ccccc2[C@@]12C(=O)OC(C)=C2C(C)=O CC(=O)[*:1] CCOC(=O)C1=C(N)N(C)c2ccccc2[C@@]12C(=O)OC(C)=C2[*:1]
CCOC(=O)C1=C(N)N(C)c2ccccc2[C@@]12C(=O)OC(C)=C2C(C)=O CCOC(=O)[*:1] CC(=O)C1=C(C)OC(=O)[C@]12C(=C(N)N(C)c1ccccc12)[*:1]
[NH2+]=C(NC1CC1)SCc1ccc(Br)cc1F C1CC1[*:1] [NH2+]=C(N[*:1])SCc1ccc(Br)cc1F
COc1ccc2c(CC(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)coc2c1 CC(=O)N[*:1] COc1ccc2c(coc2c1)CC(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
COc1ccc2c(CC(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)coc2c1 FC(F)(F)[*:1] COc1ccc2c(coc2c1)CC(=O)Nc1ccc(cc1[*:1])NC(C)=O
O=C(CNC(=O)N1CCC[C@H]1c1ccsc1)N1CCCCC1 c1cc(cs1)[*:1] O=C(CNC(=O)N1CCC[C@@H]1[*:1])N1CCCCC1
CCn1ncc(C[NH2+]C)c1C1CC1 C1CC1[*:1] CCn1ncc(C[NH2+]C)c1[*:1]
CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CCN(CCc1nc2ccc(cc2[nH]1)OC)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)N1CCN(CC1)[*:1]
O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(Cn1cnc2c(nnn2[*:1])c1=O)N1CCN(CC1)c1ccccc1
Cc1cncc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 Cc1cncc(c1)[*:1] NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[*:1]
Cc1cncc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)[C@H](C[*:1])NC(N)=O
Cc1cncc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 NC(=O)N[*:1] Cc1cncc(c1)NC(=O)[C@H](Cc1ccccc1)[*:1]
Cc1cncc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 c1ccc(cc1)C[*:1] Cc1cncc(c1)NC(=O)[C@H](NC(N)=O)[*:1]
CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)Oc2ccccc21 c1ccc(cc1)CC[*:1] CCS(=O)(=O)N1C[C@@H](Oc2ccccc21)C(=O)N[C@@H](C)[*:1]
CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)Oc2ccccc21 c1ccc(cc1)C[*:1] CCS(=O)(=O)N1C[C@@H](Oc2ccccc21)C(=O)N[C@@H](C)C[*:1]
CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)Oc2ccccc21 c1ccc(cc1)[*:1] CCS(=O)(=O)N1C[C@@H](Oc2ccccc21)C(=O)N[C@@H](C)CC[*:1]
CCc1noc(CC)c1CNC(=O)c1cccc(NC(=O)OC)c1 COC(=O)N[*:1] CCc1noc(CC)c1CNC(=O)c1cccc(c1)[*:1]
C[C@@H](Cc1[nH+]ccn1C)C[C@@H](C)Br C[C@@H](Br)C[*:1] C[C@@H](Cc1[nH+]ccn1C)[*:1]
C[C@@H](Cc1[nH+]ccn1C)C[C@@H](C)Br C[C@@H](Br)[*:1] C[C@@H](Cc1[nH+]ccn1C)C[*:1]
Cn1cc(C[NH2+]CCSc2ccccc2F)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(C[NH2+]CCSc2ccccc2F)c(n1)[*:1]
Cn1cc(C[NH2+]CCSc2ccccc2F)c(-c2cccs2)n1 Fc1ccccc1[*:1] Cn1cc(C[NH2+]CCS[*:1])c(n1)-c1cccs1
CCOC(=O)c1cc(C#N)c(SCC(=O)c2ccc(C)cc2)nc1[O-] Cc1ccc(cc1)[*:1] CCOC(=O)c1cc(C#N)c(nc1[O-])SCC(=O)[*:1]
CCOC(=O)c1cc(C#N)c(SCC(=O)c2ccc(C)cc2)nc1[O-] CCOC(=O)[*:1] Cc1ccc(cc1)C(=O)CSc1nc([O-])c(cc1C#N)[*:1]
COc1ccc(NC(=O)c2ccc(C)nc2)cc1NS(C)(=O)=O Cc1ccc(cn1)[*:1] COc1ccc(cc1NS(C)(=O)=O)NC(=O)[*:1]
COc1ccc(NC(=O)c2ccc(C)nc2)cc1NS(C)(=O)=O CS(=O)(=O)N[*:1] COc1ccc(cc1[*:1])NC(=O)c1ccc(C)nc1
CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F
CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccc(cc1)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 Cn1cc(cn1)C[*:1] CN(C(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F)[*:1]
CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCC(F)(F)F)C1 O=C(NCC(F)(F)F)[*:1] CCOC(=O)C1C[C@@H](N(N=1)c1ccccc1)[*:1]
CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCC(F)(F)F)C1 c1ccc(cc1)[*:1] CCOC(=O)C1C[C@@H](C(=O)NCC(F)(F)F)N(N=1)[*:1]
CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCC(F)(F)F)C1 FC(F)(F)C[*:1] CCOC(=O)C1C[C@@H](C(=O)N[*:1])N(N=1)c1ccccc1
CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCC(F)(F)F)C1 FC(F)(F)[*:1] CCOC(=O)C1C[C@@H](C(=O)NC[*:1])N(N=1)c1ccccc1
C[C@H]1CN(C(=O)c2cccc3ncccc23)[C@H](C)CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(C(=O)c2cccc3ncccc23)[C@H](C)CN1C(=O)O[*:1]
CC[C@H]1S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O FC(F)(F)[*:1] CC[C@H]1S/C(=N\c2cccc(c2)[*:1])NC1=O
NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] NC(=O)c1cccc(c1)CC[NH2+][C@@H]1CCC[C@H]1[*:1]
NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)c1 NC(=O)[*:1] Fc1ccc(cc1)[C@H]1CCC[C@H]1[NH2+]CCc1cccc(c1)[*:1]
COC[C@@H](C)NC(=O)N[C@@H](C(N)=O)c1ccccc1 NC(=O)[*:1] COC[C@@H](C)NC(=O)N[C@@H](c1ccccc1)[*:1]
COC[C@@H](C)NC(=O)N[C@@H](C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@H](C)NC(=O)N[C@@H](C(N)=O)[*:1]
COC[C@@H](C)NC(=O)N[C@@H](C(N)=O)c1ccccc1 COC[*:1] C[C@@H](NC(=O)N[C@@H](C(N)=O)c1ccccc1)[*:1]
COC[C@@H](C)NC(=O)N[C@@H](C(N)=O)c1ccccc1 COC[C@@H](C)[*:1] NC(=O)[C@H](NC(=O)N[*:1])c1ccccc1
Cc1ccc(CN(C)C(=O)c2cnn3cccnc23)cc1 Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cnn2cccnc12
O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccc2ncccc2c1 Fc1cccc(c1)[*:1] O=C(NC1(CCOCC1)[*:1])c1ccc2ncccc2c1
CCn1nccc1CN(C)C(=O)c1ccc(COc2ccc3c(c2)OCO3)o1 CCn1nccc1[*:1] CN(C[*:1])C(=O)c1ccc(COc2ccc3OCOc3c2)o1
CCn1nccc1CN(C)C(=O)c1ccc(COc2ccc3c(c2)OCO3)o1 CCn1nccc1C[*:1] CN(C(=O)c1ccc(COc2ccc3OCOc3c2)o1)[*:1]
CCn1nccc1CN(C)C(=O)c1ccc(COc2ccc3c(c2)OCO3)o1 c1cc2OCOc2cc1[*:1] CCn1nccc1CN(C)C(=O)c1ccc(CO[*:1])o1
COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C(=O)NC(C)C)c1C COc1cccc(c1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)NC(C)C)c1C
COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C(=O)NC(C)C)c1C CC(C)NC(=O)[*:1] COC(=O)c1c(NC(=O)c2cccc(c2)OC)sc(c1C)[*:1]
COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C(=O)NC(C)C)c1C CC(C)[*:1] COC(=O)c1c(NC(=O)c2cccc(c2)OC)sc(C(=O)N[*:1])c1C
COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C(=O)NC(C)C)c1C COC(=O)[*:1] COc1cccc(c1)C(=O)Nc1sc(C(=O)NC(C)C)c(C)c1[*:1]
CC(C)(CNC(=O)c1cccc(N2CCCNC2=O)c1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)c1cccc(c1)N1CCCNC1=O)[*:1]
CC(C)(CNC(=O)c1cccc(N2CCCNC2=O)c1)c1ccncc1 O=C1NCCCN1[*:1] CC(C)(CNC(=O)c1cccc(c1)[*:1])c1ccncc1
COc1ccc2c(c1)-c1onc(C(=O)N[C@H](C)C(C)C)c1CC2 CC(C)[*:1] COc1ccc2CCc3c(noc3-c2c1)C(=O)N[C@H](C)[*:1]
COc1ccc2c(c1)-c1onc(C(=O)N[C@H](C)C(C)C)c1CC2 CC(C)[C@@H](C)[*:1] COc1ccc2CCc3c(noc3-c2c1)C(=O)N[*:1]
Cc1nc2sccn2c1CN1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] Cc1nc2sccn2c1CN1CCO[C@H](C1)[*:1]
O=C(c1cccnc1)N1CCN(Cc2ccon2)CC1 c1cc(C[*:1])no1 O=C(c1cccnc1)N1CCN(CC1)[*:1]
O=C(c1cccnc1)N1CCN(Cc2ccon2)CC1 c1cc(no1)[*:1] O=C(c1cccnc1)N1CCN(CC1)C[*:1]
O=C(c1cccnc1)N1CCN(Cc2ccon2)CC1 c1cncc(c1)[*:1] O=C(N1CCN(CC1)Cc1ccon1)[*:1]
CC1(C)[C@H](C(=O)[O-])CC[C@@]1(C)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CC1(C)[C@@H](CC[C@@]1(C)C(=O)N[*:1])C(=O)[O-]
CC1(C)[C@H](C(=O)[O-])CC[C@@]1(C)C(=O)NCc1ccccc1 O=C([O-])[*:1] CC1(C)[C@H](CC[C@@]1(C)C(=O)NCc1ccccc1)[*:1]
CC1(C)[C@H](C(=O)[O-])CC[C@@]1(C)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC1(C)[C@@H](CC[C@@]1(C)C(=O)NC[*:1])C(=O)[O-]
CCCc1cnc(C)nc1N1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 CCC[*:1] Cc1ncc(c(n1)N1CCC(CC1)[NH2+]C[C@H](O)c1ccccc1)[*:1]
CCCc1cnc(C)nc1N1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCCc1cnc(C)nc1N1CCC(CC1)[NH2+]C[C@H](O)[*:1]
CCCc1cnc(C)nc1N1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 O[C@H](c1ccccc1)[*:1] CCCc1cnc(C)nc1N1CCC(CC1)[NH2+]C[*:1]
CC(=O)c1ccc2nc(N)sc2c1 CC(=O)[*:1] Nc1nc2ccc(cc2s1)[*:1]
C[C@@H](CNC(=O)N(C)CCOc1ccc(F)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)N(C)CCOc1ccc(F)cc1)[*:1]
C[C@@H](CNC(=O)N(C)CCOc1ccc(F)cc1)c1ccsc1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N(C)CCO[*:1])c1ccsc1
Cn1c(N2CCC[C@H](c3nc4ccccc4s3)C2)c(C#N)c(=O)n(C)c1=O c1ccc2sc(nc2c1)[*:1] Cn1c(c(C#N)c(=O)n(C)c1=O)N1CCC[C@H](C1)[*:1]
CCCOC[C@H]([NH2+]C)C(C)(C)N1CCOCC1 CCCO[*:1] C[NH2+][C@@H](C[*:1])C(C)(C)N1CCOCC1
CCCOC[C@H]([NH2+]C)C(C)(C)N1CCOCC1 CCCOC[*:1] C[NH2+][C@H](C(C)(C)N1CCOCC1)[*:1]
CCCOC[C@H]([NH2+]C)C(C)(C)N1CCOCC1 CCC[*:1] C[NH2+][C@@H](CO[*:1])C(C)(C)N1CCOCC1
CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 CCc1nn(C)cc1[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1ncc(o1)-c1ccccc1
CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)c1ncc(o1)[*:1]
Cc1c(C(=O)N[C@H](C)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)N[C@H](C)c1ccc2ccccc2c1
CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CC=CC2)C1 CCNS(=O)(=O)[*:1] O=C(NC1CC=CC1)N1CC[C@H](C1)[*:1]
COc1ccc(CNC(=O)NC[C@H](C)c2ccsc2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])CNC(=O)NC[C@H](C)c1ccsc1
COc1ccc(CNC(=O)NC[C@H](C)c2ccsc2)cc1NC(C)=O c1cc(cs1)[*:1] COc1ccc(cc1NC(C)=O)CNC(=O)NC[C@H](C)[*:1]
CCCn1ncnc1C[C@@H]([NH3+])CSc1ccccc1Cl CCC[*:1] [NH3+][C@@H](CSc1ccccc1Cl)Cc1ncnn1[*:1]
Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)nc2c1CCCC2 c1ccc(nc1)[*:1] Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(C2)C[*:1])nc2CCCCc12
Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)nc2c1CCCC2 c1ccc(C[*:1])nc1 Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(C2)[*:1])nc2CCCCc12
COc1ccc(OCCNC(=O)N[C@H](C)c2cn(C)nc2C)cc1 Cc1nn(C)cc1[*:1] COc1ccc(cc1)OCCNC(=O)N[C@H](C)[*:1]
COc1ccc(OCCNC(=O)N[C@H](C)c2cn(C)nc2C)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)NCCO[*:1]
COCc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(C)C)no1 COC[*:1] CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(on1)[*:1]
COCc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(C)C)no1 CC(C)[*:1] COCc1cc(no1)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
CC[C@H](C)Nc1ncnc(Nc2cccc3ccccc23)c1N CC[C@H](C)N[*:1] Nc1c(ncnc1[*:1])Nc1cccc2ccccc12
C[C@H](NC(=O)CSc1nnc2c3cc(Br)ccc3n(C)c2n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nnc2c3cc(Br)ccc3n(C)c2n1)[*:1]
C[C@H](NC(=O)CSc1nnc2c3cc(Br)ccc3n(C)c2n1)c1ccccc1 C[C@H](c1ccccc1)[*:1] Cn1c2ccc(Br)cc2c2nnc(nc21)SCC(=O)N[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C=O CC(C)[*:1] C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)C=O)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C=O O=CC(=O)O[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[*:1]
CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CC[NH+](C(C)C)C2 CC(C)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2C[NH+](CCc21)C(C)C
CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CC[NH+](C(C)C)C2 CCOC(=O)[*:1] CC(C)C(=O)Nc1sc2C[NH+](CCc2c1[*:1])C(C)C
CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CC[NH+](C(C)C)C2 CC(C)C(=O)N[*:1] CCOC(=O)c1c(sc2C[NH+](CCc21)C(C)C)[*:1]
CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CC[NH+](C(C)C)C2 CC(C)[*:1] CCOC(=O)c1c(NC(=O)C(C)C)sc2C[NH+](CCc21)[*:1]
O=C(N[C@H](c1ccccc1)C1CCCC1)[C@H]1Cc2ccccc2S1 c1ccc(cc1)[*:1] O=C(N[C@H](C1CCCC1)[*:1])[C@H]1Cc2ccccc2S1
O=C(N[C@H](c1ccccc1)C1CCCC1)[C@H]1Cc2ccccc2S1 C1CCC(C1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])[C@H]1Cc2ccccc2S1
Cc1ccc([S@](=O)Cc2ncc(-c3cccc(F)c3)o2)nc1 Fc1cccc(c1)[*:1] Cc1ccc(nc1)[S@](=O)Cc1ncc(o1)[*:1]
Cc1ccc([S@](=O)Cc2ncc(-c3cccc(F)c3)o2)nc1 Cc1ccc(nc1)[*:1] O=[S@](Cc1ncc(o1)-c1cccc(F)c1)[*:1]
N#Cc1ccc(F)c(CNC(=O)c2cccc(OC(F)F)c2)c1 FC(F)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1cccc(c1)O[*:1]
N#Cc1ccc(F)c(CNC(=O)c2cccc(OC(F)F)c2)c1 FC(F)O[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1cccc(c1)[*:1]
COCCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC)C1CCCC1 C1CCC(C1)[*:1] COCCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC)[*:1]
COCCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC)C1CCCC1 COCC[*:1] COc1ccccc1[C@H]1C[C@H]1C(=O)N(C1CCCC1)[*:1]
COCCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC)C1CCCC1 COC[*:1] COc1ccccc1[C@H]1C[C@H]1C(=O)N(C[*:1])C1CCCC1
COC(=O)c1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccc(C)cc23)cc1 COC(=O)[*:1] Cc1ccc2[nH]c3nc(nnc3c2c1)N/N=C/c1ccc(cc1)[*:1]
CCc1nc(CN2CCN(C(=O)C3C[C@H](C)O[C@@H](C)C3)CC2)cs1 CCc1nc(cs1)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCN(CC1)[*:1]
CCc1nc(CN2CCN(C(=O)C3C[C@H](C)O[C@@H](C)C3)CC2)cs1 CCc1nc(cs1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCN(CC1)C[*:1]
Cc1ccc(CN2CCN(C(=O)c3cc(NC(=O)C(C)C)n(-c4ccccc4)n3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN1CCN(CC1)C(=O)c1cc(NC(=O)C(C)C)n(n1)[*:1]
Cc1ccc(CN2CCN(C(=O)c3cc(NC(=O)C(C)C)n(-c4ccccc4)n3)CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)CN1CCN(CC1)C(=O)c1cc(NC(=O)[*:1])n(n1)-c1ccccc1
Cc1ccc(CN2CCN(C(=O)c3cc(NC(=O)C(C)C)n(-c4ccccc4)n3)CC2)cc1 CC(C)C(=O)N[*:1] Cc1ccc(cc1)CN1CCN(CC1)C(=O)c1cc(n(n1)-c1ccccc1)[*:1]
Cc1ccc(CN2CCN(C(=O)c3cc(NC(=O)C(C)C)n(-c4ccccc4)n3)CC2)cc1 Cc1ccc(cc1)C[*:1] CC(C)C(=O)Nc1cc(nn1-c1ccccc1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(CN2CCN(C(=O)c3cc(NC(=O)C(C)C)n(-c4ccccc4)n3)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)C(=O)Nc1cc(nn1-c1ccccc1)C(=O)N1CCN(CC1)C[*:1]
CC(=O)N[C@H](CC(=O)NCC(C)(C)c1ccncc1)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)NCC(C)(C)c1ccncc1)[*:1]
CC(=O)N[C@H](CC(=O)NCC(C)(C)c1ccncc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)NCC(C)(C)c1ccncc1)[*:1]
CC(=O)N[C@H](CC(=O)NCC(C)(C)c1ccncc1)c1ccc(C)cc1 c1cc(ccn1)[*:1] CC(=O)N[C@H](CC(=O)NCC(C)(C)[*:1])c1ccc(C)cc1
Fc1ccc2c(c1)[C@H](Nc1nc(-c3cccnc3)nc3ccccc13)CCS2 c1cncc(c1)[*:1] Fc1ccc2SCC[C@@H](Nc3nc(nc4ccccc34)[*:1])c2c1
C#CCN(C(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(Nc1cc(Cl)ccc1Cl)N([C@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(C(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)Nc1cc(Cl)ccc1Cl)[*:1]
C#CCNC(=O)Nc1cccc(C)c1 C#CC[*:1] Cc1cccc(c1)NC(=O)N[*:1]
COC(=O)[C@H](Cl)c1ccc(Cl)c(F)c1 COC(=O)[*:1] Fc1cc(ccc1Cl)[C@@H](Cl)[*:1]
CCC[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)CC)CCO1 CCC[*:1] CCN(C)[C@H](C(=O)N1CCO[C@@H](C1)[*:1])c1ccccc1
CCC[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)CC)CCO1 CCN(C)[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@H](c1ccccc1)[*:1]
CCC[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)CC)CCO1 c1ccc(cc1)[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@H](N(C)CC)[*:1]
CC(C)(C(=O)Oc1ccc2c(c1)OCCO2)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)(C(=O)Oc1ccc2OCCOc2c1)[*:1]
CC[C@H](C)[C@H](C)C[C@@H](C)Br C[C@@H](Br)[*:1] CC[C@H](C)[C@H](C)C[*:1]
CCc1nn(C)cc1NC(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C1 CCc1nn(C)cc1[*:1] O=C(N[C@@H]1CCN(C1)C(=O)c1ccccc1)N[*:1]
CCc1nn(C)cc1NC(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)N[C@@H]1CCN(C1)C(=O)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(CC)cc2)C1 CCNS(=O)(=O)[*:1] CCc1ccc(cc1)[C@H](C)C(=O)N1CC[C@H](C1)[*:1]
C[NH+](CCc1ccccc1)Cc1ccccc1-c1nc([O-])cc(C(F)(F)F)n1 FC(F)(F)[*:1] C[NH+](CCc1ccccc1)Cc1ccccc1-c1nc([O-])cc(n1)[*:1]
C[NH+](CCc1ccccc1)Cc1ccccc1-c1nc([O-])cc(C(F)(F)F)n1 c1ccc(cc1)CC[*:1] C[NH+](Cc1ccccc1-c1nc([O-])cc(n1)C(F)(F)F)[*:1]
C[NH+](CCc1ccccc1)Cc1ccccc1-c1nc([O-])cc(C(F)(F)F)n1 c1ccc(cc1)[*:1] C[NH+](CC[*:1])Cc1ccccc1-c1nc([O-])cc(n1)C(F)(F)F
C[NH+](CCc1ccccc1)Cc1ccccc1-c1nc([O-])cc(C(F)(F)F)n1 c1ccc(cc1)C[*:1] C[NH+](Cc1ccccc1-c1nc([O-])cc(n1)C(F)(F)F)C[*:1]
Cn1cc[nH+]c1N1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 Brc1cccc(c1)[*:1] Cn1cc[nH+]c1N1CCN(CC1)C[C@@H](O)[*:1]
COCc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)o1 COCc1ccc(o1)[*:1] O=C(Nc1cccc(c1)-c1ccco1)C1CCN(CC1)C(=O)[*:1]
COCc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)o1 COC[*:1] O=C(Nc1cccc(c1)-c1ccco1)C1CCN(CC1)C(=O)c1ccc(o1)[*:1]
COCc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)o1 c1coc(c1)[*:1] COCc1ccc(o1)C(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
CN(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 Clc1cccc(Cl)c1[*:1] CN(CC(=O)NN=C[*:1])S(=O)(=O)c1ccccc1
CN(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)[*:1]
CC(C)c1cnc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 c1ccc(cc1)[*:1] CC(C)c1cnc(CN2CCC[C@@H]2[C@@H](C#N)[*:1])o1
CC(C)c1cnc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 CC(C)[*:1] N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ncc(o1)[*:1]
Cc1cccc(/C=C(/C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)c1 O=S(=O)(N1CCCC1)[*:1] Cc1cccc(/C=C(/C(=O)[O-])c2ccc(s2)[*:1])c1
Cc1cccc(/C=C(/C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)c1 O=C([O-])[*:1] Cc1cccc(/C=C(\c2ccc(s2)S(=O)(=O)N2CCCC2)[*:1])c1
Cc1cccc(/C=C(/C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)c1 Cc1cccc(c1)[*:1] O=C([O-])C(=C[*:1])c1ccc(s1)S(=O)(=O)N1CCCC1
Cc1cccc(C(=O)NCC(=O)OCC(=O)N(C)C2CCCCC2)c1 Cc1cccc(c1)[*:1] CN(C(=O)COC(=O)CNC(=O)[*:1])C1CCCCC1
Cc1cccc(C(=O)NCC(=O)OCC(=O)N(C)C2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)C(=O)NCC(=O)OCC(=O)N(C)[*:1]
CC(C)[C@H](C)NC(=O)C1CCN(Cn2c3c(sc2=O)CCCC3)CC1 CC(C)[C@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)Cn1c2CCCCc2sc1=O
CC(C)[C@H](C)NC(=O)C1CCN(Cn2c3c(sc2=O)CCCC3)CC1 CC(C)[C@H](C)NC(=O)[*:1] O=c1sc2CCCCc2n1CN1CCC(CC1)[*:1]
CC(C)[C@H](C)NC(=O)C1CCN(Cn2c3c(sc2=O)CCCC3)CC1 CC(C)[*:1] C[C@H](NC(=O)C1CCN(CC1)Cn1c2CCCCc2sc1=O)[*:1]
CCCOc1ccccc1NC(=O)C[C@@H]1Nc2ccccc2NC1=O CCC[*:1] O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccccc1O[*:1]
CCCOc1ccccc1NC(=O)C[C@@H]1Nc2ccccc2NC1=O CCCO[*:1] O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccccc1[*:1]
Cc1cccc(OC[C@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] Cc1cccc(c1)OC[C@H](C)NC(=O)C(=O)N[*:1]
Cc1cccc(OC[C@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2)c1 Cc1cccc(c1)O[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1cccc(C#N)c1
Cc1cccc(OC[C@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2)c1 Cc1cccc(c1)[*:1] C[C@@H](CO[*:1])NC(=O)C(=O)Nc1cccc(C#N)c1
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCC(C)(C)N1CCOCC1 CC(C)(N1CCOCC1)[*:1] C[C@H]1CN(CCN1C(=O)NC[*:1])Cc1ccccc1
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCC(C)(C)N1CCOCC1 c1ccc(cc1)C[*:1] C[C@H]1CN(CCN1C(=O)NCC(C)(C)N1CCOCC1)[*:1]
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCC(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H]1CN(CCN1C(=O)NCC(C)(C)[*:1])Cc1ccccc1
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCC(C)(C)N1CCOCC1 c1ccc(cc1)[*:1] C[C@H]1CN(CCN1C(=O)NCC(C)(C)N1CCOCC1)C[*:1]
COc1cc(OC)c(NC(=O)Nc2c(-c3cccnc3)[nH]c3ccccc23)cc1Cl c1cncc(c1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)Nc1c([nH]c2ccccc12)[*:1]
Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)c(N)[n+]3Cc3ccncc3)c(=O)n2c1 O=C(NCCc1ccccc1)[*:1] Cc1ccc2nc3c(cc(c(N)[n+]3Cc3ccncc3)[*:1])c(=O)n2c1
Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)c(N)[n+]3Cc3ccncc3)c(=O)n2c1 c1ccc(cc1)CC[*:1] Cc1ccc2nc3c(cc(C(=O)N[*:1])c(N)[n+]3Cc3ccncc3)c(=O)n2c1
Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)c(N)[n+]3Cc3ccncc3)c(=O)n2c1 c1ccc(cc1)[*:1] Cc1ccc2nc3c(cc(C(=O)NCC[*:1])c(N)[n+]3Cc3ccncc3)c(=O)n2c1
Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)c(N)[n+]3Cc3ccncc3)c(=O)n2c1 c1cc(ccn1)C[*:1] Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)c(N)[n+]3[*:1])c(=O)n2c1
Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)c(N)[n+]3Cc3ccncc3)c(=O)n2c1 c1ccc(cc1)C[*:1] Cc1ccc2nc3c(cc(C(=O)NC[*:1])c(N)[n+]3Cc3ccncc3)c(=O)n2c1
Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)c(N)[n+]3Cc3ccncc3)c(=O)n2c1 c1cc(ccn1)[*:1] Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)c(N)[n+]3C[*:1])c(=O)n2c1
COc1ccccc1NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O COc1ccccc1[*:1] O=C(N[*:1])c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F O=C([O-])[*:1] CCc1ccc(cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccccc2Cl)cc1C Clc1ccccc1[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)NNC(=O)CO[*:1]
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccccc2Cl)cc1C Clc1ccccc1O[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)NNC(=O)C[*:1]
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccccc2Cl)cc1C Cc1ccc(cc1C)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)COc1ccccc1Cl
CC(C)C(=O)NCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 CC(C)C(=O)N[*:1] C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[*:1]
CC(C)C(=O)NCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 CC(C)[*:1] C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)[*:1]
CC1(C)CC[C@H](CNC(=O)N[C@H]2CCOC2)c2ccccc21 C1C[C@@H](CO1)[*:1] CC1(C)CC[C@H](CNC(=O)N[*:1])c2ccccc21
Cc1ccsc1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 Cc1ccsc1[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C[*:1]
Cc1ccsc1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] Cc1ccsc1CN1CCN(CC1)[C@@H](C)[*:1]
Cc1ccsc1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 Cc1ccsc1C[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC([NH+]2CCCC2)CC1 CC(C)C[*:1] C[NH+](C)C[C@@H](NC(=O)N1CCC(CC1)[NH+]1CCCC1)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC([NH+]2CCCC2)CC1 CC(C)[*:1] C[NH+](C)C[C@H](C[*:1])NC(=O)N1CCC(CC1)[NH+]1CCCC1
CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCSc2ccccc21 CCC[*:1] [NH3+][C@@H](C(=O)N[C@@H]1CCSc2ccccc21)[*:1]
O=C([O-])c1ccc(-c2c(F)cccc2F)cn1 O=C([O-])[*:1] Fc1cccc(F)c1-c1ccc(nc1)[*:1]
CN(Cc1ncnn1C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl Cn1ncnc1C[*:1] CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)[*:1]
CN(Cc1ncnn1C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl Cn1ncnc1[*:1] CN(C[*:1])C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 CC(=O)[*:1] Cc1ccc(cc1)-c1nc2NC(=O)[C@@H](CC(=O)Nc3ccc(cc3)[*:1])n2n1
CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 Cc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)C[C@@H]1C(=O)Nc2nc(nn21)[*:1]
CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc2NC(=O)[C@@H](CC(=O)N[*:1])n2n1
CN(Cc1ccsc1)C(=O)c1cccnc1Cl c1cc(cs1)[*:1] CN(C[*:1])C(=O)c1cccnc1Cl
C[C@H]1CN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@H](C)O1 FC(F)O[*:1] C[C@H]1CN(CC(=O)Nc2ccc(cc2)[*:1])C[C@H](C)O1
C[C@H]1CN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@H](C)O1 FC(F)[*:1] C[C@H]1CN(CC(=O)Nc2ccc(cc2)O[*:1])C[C@H](C)O1
Cc1sc2ncn3nc(CC#N)nc3c2c1C N#CC[*:1] Cc1sc2ncn3nc(nc3c2c1C)[*:1]
CCOC(=O)c1ccc(CNC(=O)NCC2(C)CCCC2)o1 CCOC(=O)[*:1] CC1(CCCC1)CNC(=O)NCc1ccc(o1)[*:1]
CCOC(=O)c1ccc(CNC(=O)NCC2(C)CCCC2)o1 CC1(CCCC1)[*:1] CCOC(=O)c1ccc(CNC(=O)NC[*:1])o1
CCOC(=O)c1ccc(CNC(=O)NCC2(C)CCCC2)o1 CC1(CCCC1)C[*:1] CCOC(=O)c1ccc(CNC(=O)N[*:1])o1
COc1nn(C)cc1C(=O)N(Cc1ccccn1)c1nc2c(C)cccc2s1 c1ccc(nc1)[*:1] COc1nn(C)cc1C(=O)N(C[*:1])c1nc2c(C)cccc2s1
COc1nn(C)cc1C(=O)N(Cc1ccccn1)c1nc2c(C)cccc2s1 COc1nn(C)cc1[*:1] Cc1cccc2sc(nc12)N(Cc1ccccn1)C(=O)[*:1]
COc1nn(C)cc1C(=O)N(Cc1ccccn1)c1nc2c(C)cccc2s1 c1ccc(C[*:1])nc1 COc1nn(C)cc1C(=O)N(c1nc2c(C)cccc2s1)[*:1]
CC(C)[NH+]1CCCN(C(=O)NCc2ccccc2C[NH+](C)C)CC1 CC(C)[*:1] C[NH+](C)Cc1ccccc1CNC(=O)N1CCC[NH+](CC1)[*:1]
O=C(COc1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1-n1cncn1 c1ncn(n1)[*:1] O=C(COc1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1[*:1]
O=C(COc1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1-n1cncn1 Clc1cccc(Cl)c1[*:1] O=C(CO[*:1])Nc1cc(Cl)ccc1-n1cncn1
Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H]1CCS(=O)(=O)C1 c1ccc(nc1)[*:1] Cc1nc(sc1C(=O)NC[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1nc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)sc1C Cc1nc(sc1C)[*:1] O=C(N[*:1])c1c2CCCc2nn1[C@H]1CCS(=O)(=O)C1
COc1cc([C@H]2CC(=O)n3nc(-c4ccc(C)cc4)nc3S2)cc(OC)c1OC Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CC(=O)n2nc(nc2S1)[*:1]
Cc1ccc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1c[nH]cc1-c1ccc(F)cc1
Cc1ccc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc1C(=O)N(C)C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)c1c[nH]cc1[*:1]
CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2ccc(Br)cc2c1=O C[C@@H](c1ccccc1)[*:1] CCn1c(nc2ccc(Br)cc2c1=O)S[C@@H](C)C(=O)N[*:1]
CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2ccc(Br)cc2c1=O c1ccc(cc1)[*:1] CCn1c(nc2ccc(Br)cc2c1=O)S[C@@H](C)C(=O)N[C@@H](C)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc3ccccc3c2)c1 CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)c1ccc2ccccc2c1)[*:1]
CCC(=O)Nc1ccc(C(=O)COc2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] CCC(=O)Nc1ccc(cc1)C(=O)COc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(C(=O)COc2ccc(C(N)=O)cc2)cc1 CCC(=O)N[*:1] NC(=O)c1ccc(cc1)OCC(=O)c1ccc(cc1)[*:1]
Cc1ccc2cc(C#N)c(SCC(=O)Nc3c(C)cccc3C)nc2c1 Cc1cccc(C)c1[*:1] Cc1ccc2cc(C#N)c(nc2c1)SCC(=O)N[*:1]
CCCn1ncc(C[NH2+]C)c1C(F)(F)F CCC[*:1] C[NH2+]Cc1cnn(c1C(F)(F)F)[*:1]
CCCn1ncc(C[NH2+]C)c1C(F)(F)F FC(F)(F)[*:1] CCCn1ncc(C[NH2+]C)c1[*:1]
C[NH+](C)CCS[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N CC(C)(C)[*:1] C[NH+](C)CCS[C@@H]1C[C@H](CC[C@@H]1C#N)[*:1]
Cc1nn(C)c2ncc(NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc12 c1ccc(cc1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)NC[C@H]([NH+](C)C)[*:1]
COc1cccc(-c2nnn(CCOc3cccc([N+](=O)[O-])c3)n2)c1 COc1cccc(c1)[*:1] O=[N+]([O-])c1cccc(c1)OCCn1nnc(n1)[*:1]
COc1cccc(-c2nnn(CCOc3cccc([N+](=O)[O-])c3)n2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)-c1nnn(CCOc2cccc(c2)[*:1])n1
O=C(NCc1cccnc1)c1ccc(CSc2ccccc2)cc1 c1ccc(cc1)SC[*:1] O=C(NCc1cccnc1)c1ccc(cc1)[*:1]
O=C(NCc1cccnc1)c1ccc(CSc2ccccc2)cc1 c1cncc(c1)[*:1] O=C(NC[*:1])c1ccc(cc1)CSc1ccccc1
O=C(NCc1cccnc1)c1ccc(CSc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1ccc(cc1)CS[*:1]
O=C(NCc1cccnc1)c1ccc(CSc2ccccc2)cc1 c1cncc(c1)C[*:1] O=C(N[*:1])c1ccc(cc1)CSc1ccccc1
O=C(NCc1cccnc1)c1ccc(CSc2ccccc2)cc1 c1ccc(cc1)S[*:1] O=C(NCc1cccnc1)c1ccc(cc1)C[*:1]
CCC[NH+]1CCCN(Cc2c(Cl)nc3ccccn23)CC1 CCC[*:1] Clc1nc2ccccn2c1CN1CCC[NH+](CC1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)NCC2(c3ccccc3)CC2)C1 CC(=O)N[*:1] O=C(NCC1(CC1)c1ccccc1)N1CCC[C@@H](C1)C[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)NCC2(c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)NCC1(CC1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)NCC2(c3ccccc3)CC2)C1 CC(=O)NC[*:1] O=C(NCC1(CC1)c1ccccc1)N1CCC[C@@H](C1)[*:1]
Fc1ccccc1-c1cnc(CNC2CC[NH+](Cc3ccccc3)CC2)s1 Fc1ccccc1[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)NCc1ncc(s1)[*:1]
Fc1ccccc1-c1cnc(CNC2CC[NH+](Cc3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Fc1ccccc1-c1cnc(CNC2CC[NH+](CC2)C[*:1])s1
Fc1ccccc1-c1cnc(CNC2CC[NH+](Cc3ccccc3)CC2)s1 c1ccc(cc1)C[*:1] Fc1ccccc1-c1cnc(CNC2CC[NH+](CC2)[*:1])s1
Cc1nc(N2CCOCC2)c2c(C(=O)N3CCc4ccccc43)c(C)oc2n1 C1CN(CCO1)[*:1] Cc1nc(c2c(C(=O)N3CCc4ccccc43)c(C)oc2n1)[*:1]
O=C(CNC(=O)c1ccc[nH]c1=O)Nc1ccon1 c1cc(no1)[*:1] O=C(CNC(=O)c1ccc[nH]c1=O)N[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(F)c2)CC3)c(C)c1 Fc1cccc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(F)c2)CC3)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(c1cccc(F)c1)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@@H]1NC(=O)[C@@H]2COCCN21 Fc1ccc(c(F)c1)[*:1] Cc1nn(c(C)c1[C@@H]1NC(=O)[C@@H]2COCCN21)[*:1]
NC(=O)c1cccc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])[C@@H]1C[C@@H]2C=C[C@H]1C2
CC[C@@H](C)c1noc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 C1CCC(C1)[*:1] CC[C@@H](C)c1noc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC[C@@H](C)c1noc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 CC[C@@H](C)[*:1] O=C(C1CCCC1)N1CCC[C@H](C1)c1nc(no1)[*:1]
O=C(Cc1noc2ccccc12)Nc1ccc(-n2cnc3ccccc32)cc1 c1ccc2c(noc2c1)[*:1] O=C(C[*:1])Nc1ccc(cc1)-n1cnc2ccccc21
O=C(Cc1noc2ccccc12)Nc1ccc(-n2cnc3ccccc32)cc1 c1ccc2c(c1)ncn2[*:1] O=C(Cc1noc2ccccc12)Nc1ccc(cc1)[*:1]
Cc1cccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 Cc1cccc(c1)[*:1] N#CC1=C(N)OC2=C([C@H]1[*:1])S(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccccc12
Cc1cccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)[C@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(C[*:1])c1ccccc12
Cc1cccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 Clc1ccc(cc1)C[*:1] Cc1cccc(c1)[C@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(c1ccccc12)[*:1]
Cc1ccc(-c2ncc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)c(=O)n(C)c3n2)cc1 CC(C)c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1ncc2c(=O)n(CC(=O)N[*:1])c(=O)n(C)c2n1
Cc1ccc(-c2ncc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)c(=O)n(C)c3n2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)Cn1c(=O)c2cnc(nc2n(C)c1=O)[*:1]
Cc1ccc(-c2ncc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)c(=O)n(C)c3n2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1ncc2c(=O)n(CC(=O)Nc3ccc(cc3)[*:1])c(=O)n(C)c2n1
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCO[C@@H](C)C1 COc1ccccc1[*:1] C[C@H]1CN(CCO1)[C@@H](C)C(=O)N(CCC#N)[*:1]
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCO[C@@H](C)C1 C[C@H]1CN(CCO1)[*:1] COc1ccccc1N(CCC#N)C(=O)[C@H](C)[*:1]
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCO[C@@H](C)C1 N#CC[*:1] COc1ccccc1N(C[*:1])C(=O)[C@H](C)N1CCO[C@@H](C)C1
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCO[C@@H](C)C1 N#CCC[*:1] COc1ccccc1N(C(=O)[C@H](C)N1CCO[C@@H](C)C1)[*:1]
COCCNCC1=N[C@H]2C(=N1)C(=O)N(C)C(=O)N2C COCCN[*:1] CN1C(=O)C2=NC(C[*:1])=N[C@@H]2N(C)C1=O
COCCNCC1=N[C@H]2C(=N1)C(=O)N(C)C(=O)N2C COCC[*:1] CN1C(=O)C2=NC(CN[*:1])=N[C@@H]2N(C)C1=O
COCCNCC1=N[C@H]2C(=N1)C(=O)N(C)C(=O)N2C COC[*:1] CN1C(=O)C2=NC(CNC[*:1])=N[C@@H]2N(C)C1=O
COCCNCC1=N[C@H]2C(=N1)C(=O)N(C)C(=O)N2C COCCNC[*:1] CN1C(=O)C2=NC(=N[C@@H]2N(C)C1=O)[*:1]
CCc1cc(=O)oc2c(C)c(OCC(=O)N(CCC#N)c3ccccc3)ccc12 c1ccc(cc1)[*:1] CCc1cc(=O)oc2c(C)c(ccc12)OCC(=O)N(CCC#N)[*:1]
CCc1cc(=O)oc2c(C)c(OCC(=O)N(CCC#N)c3ccccc3)ccc12 N#CC[*:1] CCc1cc(=O)oc2c(C)c(ccc12)OCC(=O)N(C[*:1])c1ccccc1
CCc1cc(=O)oc2c(C)c(OCC(=O)N(CCC#N)c3ccccc3)ccc12 N#CCC[*:1] CCc1cc(=O)oc2c(C)c(ccc12)OCC(=O)N(c1ccccc1)[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 CC(C)NS(=O)(=O)[*:1] O=C(CCC1CCCC1)Nc1ccc(cc1)[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 C1CCC(C1)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)CC[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 CC(C)[*:1] O=C(CCC1CCCC1)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 C1CCC(C1)C[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 C1CCC(C1)CC[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccccc1-n1cncn1)C1CCN(C(=O)C2CC2)CC1 c1ncn(n1)[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)C(=O)C1CC1
O=C(Nc1ccccc1-n1cncn1)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(Nc1ccccc1-n1cncn1)C1CCN(CC1)C(=O)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)N(C)[C@@H](C)C1CC1 CCC[*:1] C[C@@H](C1CC1)N(C)C(=O)N[C@@H]1C[C@H]1[*:1]
CCC[C@@H]1C[C@H]1NC(=O)N(C)[C@@H](C)C1CC1 C1CC1[*:1] CCC[C@@H]1C[C@H]1NC(=O)N(C)[C@@H](C)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)N(C)[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] CCC[C@@H]1C[C@H]1NC(=O)N(C)[*:1]
CC(C)Cn1nnnc1SCc1cc(=O)n2ccsc2n1 CC(C)C[*:1] O=c1cc(CSc2nnnn2[*:1])nc2sccn12
CC(C)Cn1nnnc1SCc1cc(=O)n2ccsc2n1 CC(C)[*:1] O=c1cc(CSc2nnnn2C[*:1])nc2sccn12
CCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)o1 CCCC(=O)N[*:1] CSc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(o1)[*:1]
CCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)o1 CSc1ccc(cc1)[*:1] CCCC(=O)Nc1nnc(o1)[C@@H]1CC(=O)N(C1)[*:1]
CCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)o1 CCC[*:1] CSc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])o1
Cc1ccc(CC(=O)Nc2nnc(-c3ccc(C)cc3)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CC(=O)Nc1nnc(o1)[*:1]
Cc1ccc(CC(=O)Nc2nnc(-c3ccc(C)cc3)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(NC(=O)C[*:1])o1
CCC[NH2+]C[C@@]1(c2ccc(OC)c(OC)c2)CC[C@@H]1C CCC[*:1] COc1ccc(cc1OC)[C@@]1(CC[C@@H]1C)C[NH2+][*:1]
CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1 CCS(=O)(=O)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1cc(ccc1Cl)[*:1]
Cc1nc([C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2)n[nH]1 O=[N+]([O-])[*:1] Cc1nc(n[nH]1)[C@H](Nc1ccc(cc1[*:1])S(C)(=O)=O)c1ccccc1
Cc1nc([C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@H](Nc1ccc(cc1[N+](=O)[O-])S(C)(=O)=O)[*:1]
Cc1nc([C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] CS(=O)(=O)c1ccc(N[C@H](c2ccccc2)[*:1])c(c1)[N+](=O)[O-]
Cc1nc([C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2)n[nH]1 CS(=O)(=O)[*:1] Cc1nc(n[nH]1)[C@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])c1ccccc1
COC(=O)[C@@H](C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1 COC(=O)[*:1] C[C@@H](Oc1ccc(cc1)Oc1cnc2cc(Cl)ccc2n1)[*:1]
COC(=O)[C@@H](C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1 COC(=O)[C@@H](C)O[*:1] Clc1ccc2nc(cnc2c1)Oc1ccc(cc1)[*:1]
COC(=O)[C@@H](C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1 COC(=O)[C@@H](C)[*:1] Clc1ccc2nc(cnc2c1)Oc1ccc(cc1)O[*:1]
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 c1ccc(cc1)C[*:1] N#C/C(=C\c1cn(nc1-c1cccs1)[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 c1csc(c1)[*:1] N#C/C(=C\c1cn(Cc2ccccc2)nc1[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)N[*:1]
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(cc1)[*:1]
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 c1ccc(cc1)[*:1] N#C/C(=C\c1cn(C[*:1])nc1-c1cccs1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
NC(=[NH2+])c1ccc2ccccc2c1 NC(=[NH2+])[*:1] c1ccc2cc(ccc2c1)[*:1]
Cc1ccc(-c2noc(CCC(=O)N3CCCCCC3)n2)cc1F Cc1ccc(cc1F)[*:1] O=C(CCc1nc(no1)[*:1])N1CCCCCC1
CC(C)c1nn(C)c2sc(C(=O)N3CCN([C@H](C)C(N)=O)CC3)cc12 NC(=O)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N1CCN(CC1)[C@H](C)[*:1]
CC(C)c1nn(C)c2sc(C(=O)N3CCN([C@H](C)C(N)=O)CC3)cc12 C[C@H](C(N)=O)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N1CCN(CC1)[*:1]
CC(C)c1nn(C)c2sc(C(=O)N3CCN([C@H](C)C(N)=O)CC3)cc12 CC(C)[*:1] C[C@H](C(N)=O)N1CCN(CC1)C(=O)c1cc2c(nn(C)c2s1)[*:1]
O[C@H](CN(Cc1cnc2cnccn12)C1CC1)c1ccc(F)cc1 C1CC1[*:1] O[C@H](CN(Cc1cnc2cnccn12)[*:1])c1ccc(F)cc1
O[C@H](CN(Cc1cnc2cnccn12)C1CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O[C@H](CN(Cc1cnc2cnccn12)C1CC1)[*:1]
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCCN1CCCS1(=O)=O Fc1ccc(cc1)[*:1] O=C(/C=C/c1cn(nc1[*:1])-c1ccccc1)NCCN1CCCS1(=O)=O
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCCN1CCCS1(=O)=O c1ccc(cc1)[*:1] O=C(/C=C/c1cn(nc1-c1ccc(F)cc1)[*:1])NCCN1CCCS1(=O)=O
Cc1noc(C)c1CCCNC(=O)N1CCSC[C@@H]1c1ccccc1 Cc1noc(C)c1C[*:1] O=C(NCC[*:1])N1CCSC[C@@H]1c1ccccc1
Cc1noc(C)c1CCCNC(=O)N1CCSC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1CCCNC(=O)N1CCSC[C@H]1[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCSC[C@@H]1c1ccccc1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])N1CCSC[C@@H]1c1ccccc1
CC(=O)c1ccc(-n2cncn2)cc1 CC(=O)[*:1] c1ncn(n1)-c1ccc(cc1)[*:1]
Cc1cccc(OCCCCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 Cc1cccc(c1)[*:1] O=C(CCCCO[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
Cc1cccc(OCCCCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 Cc1cccc(c1)O[*:1] O=C(CCCC[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
Cc1cccc(OCCCCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)OCCCCC(=O)N1CCc2ccc(cc2C1)[*:1]
Cc1cccc(OCCCCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 Cc1cccc(c1)OC[*:1] O=C(CCC[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 C1CO[C@H](C1)[*:1] O=C(c1ccccc1SC[*:1])N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 C1CO[C@H](C1)CS[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 C1CO[C@H](C1)C[*:1] O=C(c1ccccc1S[*:1])N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 O=S1(=O)CC[C@H](C1)[*:1] O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(CC1)[*:1]
COC(=O)c1cc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)ccc1Cl COC(=O)[*:1] Cc1cc(-c2cc(C(=O)Nc3ccc(Cl)c(c3)[*:1])c3cnn(c3n2)C(C)C)c(C)o1
COC(=O)c1cc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)ccc1Cl COC(=O)c1cc(ccc1Cl)[*:1] Cc1cc(-c2cc(C(=O)N[*:1])c3cnn(c3n2)C(C)C)c(C)o1
COC(=O)c1cc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)ccc1Cl Cc1cc(c(C)o1)[*:1] COC(=O)c1cc(ccc1Cl)NC(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
COC(=O)c1cc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)ccc1Cl CC(C)[*:1] COC(=O)c1cc(ccc1Cl)NC(=O)c1cc(nc2c1cnn2[*:1])-c1cc(C)oc1C
COC(=O)c1ccc(CSc2nncc3ccccc23)o1 COC(=O)[*:1] c1ccc2c(nncc2c1)SCc1ccc(o1)[*:1]
CC(C)n1cc(S(=O)(=O)N2CCn3c(nn(C)c3=O)C2)cn1 CC(C)[*:1] Cn1nc2CN(CCn2c1=O)S(=O)(=O)c1cnn(c1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)Cc1csc(-c2ccco2)n1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C)Cc1csc(n1)-c1ccco1
C[C@@H](CS(C)(=O)=O)N(C)Cc1csc(-c2ccco2)n1 c1coc(c1)[*:1] C[C@@H](CS(C)(=O)=O)N(C)Cc1csc(n1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)Cc1csc(-c2ccco2)n1 CS(=O)(=O)C[*:1] C[C@@H](N(C)Cc1csc(n1)-c1ccco1)[*:1]
O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)OC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)O[*:1]
O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)OC1CCCCC1 O=C(OC1CCCCC1)[*:1] O=c1c2ccccc2nc(SC[*:1])n1C[C@@H]1CCCO1
COCc1nc(C)cc(NCc2cccc(OCC#N)c2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])NCc1cccc(c1)OCC#N
COCc1nc(C)cc(NCc2cccc(OCC#N)c2)n1 N#CCO[*:1] COCc1nc(C)cc(n1)NCc1cccc(c1)[*:1]
COCc1nc(C)cc(NCc2cccc(OCC#N)c2)n1 N#CC[*:1] COCc1nc(C)cc(n1)NCc1cccc(c1)O[*:1]
C[C@@H](CO)C[NH2+]Cc1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CO)C[NH2+]Cc1cn(C)nc1[*:1]
CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)s1 CCc1ccc(s1)[*:1] O=C1Cc2cc(ccc2N1)NS(=O)(=O)[*:1]
O=C(NC[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1O)N[*:1]
O=C(NC[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1O)Nc1ccccc1 Oc1ccc(Cl)cc1[*:1] O=C(NC[C@H]1CCCCN1C(=O)[*:1])Nc1ccccc1
CC[NH2+][C@H](Cc1ncnn1C)C1([NH+]2CCCC2)CCCC1 Cn1ncnc1[*:1] CC[NH2+][C@H](C[*:1])C1(CCCC1)[NH+]1CCCC1
CC[NH2+][C@H](Cc1ncnn1C)C1([NH+]2CCCC2)CCCC1 Cn1ncnc1C[*:1] CC[NH2+][C@H](C1(CCCC1)[NH+]1CCCC1)[*:1]
O=c1n(CCSc2nnnn2-c2ccc(OC(F)(F)F)cc2)nc2ccccn12 FC(F)(F)[*:1] O=c1n(CCSc2nnnn2-c2ccc(cc2)O[*:1])nc2ccccn12
O=c1n(CCSc2nnnn2-c2ccc(OC(F)(F)F)cc2)nc2ccccn12 FC(F)(F)O[*:1] O=c1n(CCSc2nnnn2-c2ccc(cc2)[*:1])nc2ccccn12
O=C(Nc1ccc(N2CCOCC2)cn1)c1cc(-c2cccnc2)on1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cn1)[*:1])c1cc(on1)-c1cccnc1
O=C(Nc1ccc(N2CCOCC2)cn1)c1cc(-c2cccnc2)on1 c1cncc(c1)[*:1] O=C(Nc1ccc(cn1)N1CCOCC1)c1cc(on1)[*:1]
COc1ccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 C1CCCC(CCC1)[*:1] COc1ccc(cc1)CN1C(=O)c2ccccc2C[C@]1(C)C(=O)N[*:1]
COc1ccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 COc1ccc(cc1)[*:1] C[C@@]1(Cc2ccccc2C(=O)N1C[*:1])C(=O)NC1CCCCCCC1
COc1ccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 COc1ccc(cc1)C[*:1] C[C@@]1(Cc2ccccc2C(=O)N1[*:1])C(=O)NC1CCCCCCC1
COCCn1c(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc2cc(Cl)ccc21 COC[*:1] O=C(c1cc2cc(Cl)ccc2n1C[*:1])N1CCO[C@H](C1)c1ccccc1
COCCn1c(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc2cc(Cl)ccc21 c1ccc(cc1)[*:1] COCCn1c(cc2cc(Cl)ccc21)C(=O)N1CCO[C@@H](C1)[*:1]
COCCn1c(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc2cc(Cl)ccc21 COCC[*:1] O=C(c1cc2cc(Cl)ccc2n1[*:1])N1CCO[C@H](C1)c1ccccc1
CCOCCCC(=O)N1CCN(CCO)CC1 CCOC[*:1] O=C(CC[*:1])N1CCN(CCO)CC1
CCOCCCC(=O)N1CCN(CCO)CC1 CCOCC[*:1] O=C(C[*:1])N1CCN(CCO)CC1
CCOCCCC(=O)N1CCN(CCO)CC1 CCO[*:1] O=C(CCC[*:1])N1CCN(CCO)CC1
CCOCCCC(=O)N1CCN(CCO)CC1 OCC[*:1] CCOCCCC(=O)N1CCN(CC1)[*:1]
[O-]c1nc(-c2cccnc2)nc2c1CC[NH+](Cc1ccnc(N3CCOCC3)n1)C2 c1cncc(c1)[*:1] [O-]c1nc(nc2C[NH+](CCc12)Cc1ccnc(n1)N1CCOCC1)[*:1]
[O-]c1nc(-c2cccnc2)nc2c1CC[NH+](Cc1ccnc(N3CCOCC3)n1)C2 C1CN(CCO1)[*:1] [O-]c1nc(nc2C[NH+](CCc12)Cc1ccnc(n1)[*:1])-c1cccnc1
O=C([O-])[C@H](Cc1ccccc1)NC(=O)N(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H](Cc1ccccc1)NC(=O)N(c1ccccc1)[*:1]
O=C([O-])[C@H](Cc1ccccc1)NC(=O)N(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H](C[*:1])NC(=O)N(c1ccccc1)c1ccccc1
O=C([O-])[C@H](Cc1ccccc1)NC(=O)N(c1ccccc1)c1ccccc1 O=C([O-])[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])N(c1ccccc1)c1ccccc1
O=C([O-])[C@H](Cc1ccccc1)NC(=O)N(c1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] O=C([O-])[C@H](NC(=O)N(c1ccccc1)c1ccccc1)[*:1]
CCCC[C@@H](C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C CCC[*:1] C[C@H](C[*:1])NC(=O)[C@H]1CCC[NH2+][C@@H]1C
CCCC[C@@H](C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C CCCC[*:1] C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H](C)[*:1]
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CCSc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CCS[*:1]
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CCSc1ccc(C#N)cc1 Oc1ccc(cc1)C[*:1] C[C@H](N(C)C(=O)CCSc1ccc(C#N)cc1)[*:1]
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CCSc1ccc(C#N)cc1 Oc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)C(=O)CCSc1ccc(C#N)cc1
O=C(Cl)COc1ccc2c(c1)CCC2 O=C(Cl)C[*:1] c1cc2CCCc2cc1O[*:1]
O=C(Cl)COc1ccc2c(c1)CCC2 O=C(Cl)[*:1] c1cc2CCCc2cc1OC[*:1]
CCC[C@@H](COC)Nc1ccc(C#N)c(N)c1 CCC[*:1] COC[C@@H](Nc1ccc(C#N)c(N)c1)[*:1]
CCC[C@@H](COC)Nc1ccc(C#N)c(N)c1 COC[*:1] CCC[C@@H](Nc1ccc(C#N)c(N)c1)[*:1]
CC(=O)NCCNC(=O)CSC1CCCC1 CC(=O)NC[*:1] O=C(CSC1CCCC1)NC[*:1]
CC(=O)NCCNC(=O)CSC1CCCC1 CC(=O)N[*:1] O=C(CSC1CCCC1)NCC[*:1]
CC(=O)NCCNC(=O)CSC1CCCC1 C1CCC(C1)[*:1] CC(=O)NCCNC(=O)CS[*:1]
C[C@@H](Cc1ccccc1F)NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C Fc1ccccc1[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C
C[C@@H](Cc1ccccc1F)NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C CC(C)(C)[*:1] C[C@@H](Cc1ccccc1F)NC(=O)C(=O)Nc1cc(C[*:1])nn1C
C[C@@H](Cc1ccccc1F)NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C CC(C)(C)C[*:1] C[C@@H](Cc1ccccc1F)NC(=O)C(=O)Nc1cc(nn1C)[*:1]
C[C@@H](Cc1ccccc1F)NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C Fc1ccccc1C[*:1] C[C@@H](NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C)[*:1]
CCn1cc(C(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)c(=O)c2ccc(C)nc21 O=C(NCC(F)(F)F)[*:1] CCn1cc(C(=O)Nc2ccc(cc2)C[*:1])c(=O)c2ccc(C)nc21
CCn1cc(C(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)c(=O)c2ccc(C)nc21 FC(F)(F)C[*:1] CCn1cc(C(=O)Nc2ccc(cc2)CC(=O)N[*:1])c(=O)c2ccc(C)nc21
CCn1cc(C(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)c(=O)c2ccc(C)nc21 O=C(C[*:1])NCC(F)(F)F CCn1cc(C(=O)Nc2ccc(cc2)[*:1])c(=O)c2ccc(C)nc21
CCn1cc(C(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)c(=O)c2ccc(C)nc21 FC(F)(F)[*:1] CCn1cc(C(=O)Nc2ccc(cc2)CC(=O)NC[*:1])c(=O)c2ccc(C)nc21
C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1F)c1ccncc1 FC(F)(F)[*:1] C[C@H](CNC(=O)c1cccc(c1F)[*:1])c1ccncc1
C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1F)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](CNC(=O)c1cccc(c1F)C(F)(F)F)[*:1]
C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Br)s1 CC(C)(C)[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C1)[*:1])c1ccc(Br)s1
C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C1)C(C)(C)C)[*:1]
CN(Cc1nccn1CC(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CN(Cc1nccn1CC(F)(F)F)S(=O)(=O)c1ccc(cc1)[*:1]
CN(Cc1nccn1CC(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CN(Cc1nccn1C[*:1])S(=O)(=O)c1ccc(cc1)C(F)(F)F
CN(Cc1nccn1CC(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)C[*:1] CN(Cc1nccn1[*:1])S(=O)(=O)c1ccc(cc1)C(F)(F)F
Cc1ccc(-c2cc(C(=O)[O-])c3c(-c4cccc([N+](=O)[O-])c4)[nH]nc3n2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])c1cc(nc2n[nH]c(-c3cccc(c3)[N+](=O)[O-])c12)[*:1]
Cc1ccc(-c2cc(C(=O)[O-])c3c(-c4cccc([N+](=O)[O-])c4)[nH]nc3n2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1)-c1cc(C(=O)[O-])c2c([nH]nc2n1)[*:1]
Cc1ccc(-c2cc(C(=O)[O-])c3c(-c4cccc([N+](=O)[O-])c4)[nH]nc3n2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1cc(c2c([nH]nc2n1)-c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc(-c2cc(C(=O)[O-])c3c(-c4cccc([N+](=O)[O-])c4)[nH]nc3n2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1cc(C(=O)[O-])c2c([nH]nc2n1)-c1cccc(c1)[*:1]
CC(C)[C@@H](C)NC(=O)N1CCSC(C)(C)C1 CC(C)[C@@H](C)[*:1] CC1(C)CN(CCS1)C(=O)N[*:1]
CC(C)[C@@H](C)NC(=O)N1CCSC(C)(C)C1 CC(C)[*:1] C[C@@H](NC(=O)N1CCSC(C)(C)C1)[*:1]
CC1=CC(C)(C)N(S(C)(=O)=O)c2ccc(OS(C)(=O)=O)cc21 CS(=O)(=O)O[*:1] CC1=CC(C)(C)N(c2ccc(cc21)[*:1])S(C)(=O)=O
Cc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1ccccn1 Cc1c(Cl)cccc1[*:1] Cc1ccccc1/N=C1\S[C@H](CC(=O)N[*:1])C(=O)N1Cc1ccccn1
Cc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1ccccn1 Cc1ccccc1[*:1] Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=N[*:1])N(Cc2ccccn2)C1=O
Cc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1ccccn1 c1ccc(C[*:1])nc1 Cc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1[*:1]
Cc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1ccccn1 c1ccc(nc1)[*:1] Cc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C[*:1]
Cc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1Cc1ccccn1 Cc1c(Cl)cccc1NC(=O)[*:1] Cc1ccccc1/N=C1\S[C@H](C[*:1])C(=O)N1Cc1ccccn1
C[C@@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1nc2ccccc2n1[*:1]
C[C@@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F O[C@@H](c1ccco1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F
C[C@@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F O[C@H](C[*:1])c1ccco1 C[C@H]([NH2+][C@H](C)[*:1])c1nc2ccccc2n1C(F)F
C[C@@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F c1coc(c1)[*:1] C[C@@H](C[C@@H](O)[*:1])[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F
Cc1c(C(=O)N(C)CCOCC2CC2)nnn1-c1ccc2ncccc2c1 C(C[*:1])OCC1CC1 Cc1c(nnn1-c1ccc2ncccc2c1)C(=O)N(C)[*:1]
Cc1c(C(=O)N(C)CCOCC2CC2)nnn1-c1ccc2ncccc2c1 C1CC1[*:1] Cc1c(nnn1-c1ccc2ncccc2c1)C(=O)N(C)CCOC[*:1]
Cc1c(C(=O)N(C)CCOCC2CC2)nnn1-c1ccc2ncccc2c1 C1CC1COC[*:1] Cc1c(nnn1-c1ccc2ncccc2c1)C(=O)N(C)C[*:1]
Cc1c(C(=O)N(C)CCOCC2CC2)nnn1-c1ccc2ncccc2c1 C1CC1C[*:1] Cc1c(nnn1-c1ccc2ncccc2c1)C(=O)N(C)CCO[*:1]
Cc1c(C(=O)N(C)CCOCC2CC2)nnn1-c1ccc2ncccc2c1 C1CC1CO[*:1] Cc1c(nnn1-c1ccc2ncccc2c1)C(=O)N(C)CC[*:1]
NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2c1[nH]c(=O)n2-c1ccccc1F NC(=O)[*:1] O=c1[nH]c2c(nc(nc2n1-c1ccccc1F)-c1ccc(Cl)c(Cl)c1)[*:1]
NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2c1[nH]c(=O)n2-c1ccccc1F Fc1ccccc1[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2[*:1])-c1ccc(Cl)c(Cl)c1
NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2c1[nH]c(=O)n2-c1ccccc1F Clc1ccc(cc1Cl)[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2-c1ccccc1F)[*:1]
N#C/C(=N/Nc1ccc(S(=O)(=O)N2CCOCC2)c(Cl)c1)c1nc2ccccc2[n-]1 O=S(=O)(N1CCOCC1)[*:1] N#C/C(=N/Nc1ccc(c(Cl)c1)[*:1])c1nc2ccccc2[n-]1
CCOC(=O)CSC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(N)N1 CCOC(=O)CS[*:1] N#CC1=C(N)NC(=C(C(=O)Nc2ccccc2)C12CCCCC2)[*:1]
CCOC(=O)CSC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(N)N1 c1ccc(cc1)[*:1] CCOC(=O)CSC1NC(N)=C(C#N)C2(CCCCC2)C=1C(=O)N[*:1]
CCOC(=O)CSC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(N)N1 O=C(Nc1ccccc1)[*:1] CCOC(=O)CSC1NC(N)=C(C#N)C2(CCCCC2)C=1[*:1]
CCOC(=O)CSC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(N)N1 CCOC(=O)C[*:1] N#CC1=C(N)NC(S[*:1])=C(C(=O)Nc2ccccc2)C12CCCCC2
CCOC(=O)CSC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(N)N1 CCOC(=O)[*:1] N#CC1=C(N)NC(SC[*:1])=C(C(=O)Nc2ccccc2)C12CCCCC2
O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 Fc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC[C@H](C1)c1nnc(o1)-c1ccsc1
O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 c1cc(cs1)[*:1] O=C(COc1ccc(F)cc1)N1CCC[C@H](C1)c1nnc(o1)[*:1]
O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 Fc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1nnc(o1)-c1ccsc1
O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 Fc1ccc(cc1)OC[*:1] O=C(N1CCC[C@H](C1)c1nnc(o1)-c1ccsc1)[*:1]
CC(C)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] CC(C)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CC(C)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 CC(C)O[*:1] O=C(N[C@H]1CCC[C@H](C1)C(F)(F)F)c1ncccc1[*:1]
CC(C)Oc1cccnc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 CC(C)[*:1] O=C(N[C@H]1CCC[C@H](C1)C(F)(F)F)c1ncccc1O[*:1]
O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1O Oc1ccccc1[*:1] O=C(CCc1c[nH]c2ccccc12)N[*:1]
COc1cccc([C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)[NH+]2CCCC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H](CNC(=O)C1CCC(=O)N(N=1)[*:1])[NH+]1CCCC1
COc1cccc([C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])C1CCC(=O)N(N=1)c1ccccc1
COCCOc1ncccc1NC(=O)N(C)Cc1ccccn1 COC[*:1] CN(Cc1ccccn1)C(=O)Nc1cccnc1OC[*:1]
COCCOc1ncccc1NC(=O)N(C)Cc1ccccn1 c1ccc(nc1)[*:1] COCCOc1ncccc1NC(=O)N(C)C[*:1]
COCCOc1ncccc1NC(=O)N(C)Cc1ccccn1 COCC[*:1] CN(Cc1ccccn1)C(=O)Nc1cccnc1O[*:1]
COCCOc1ncccc1NC(=O)N(C)Cc1ccccn1 COCCO[*:1] CN(Cc1ccccn1)C(=O)Nc1cccnc1[*:1]
COCCOc1ncccc1NC(=O)N(C)Cc1ccccn1 c1ccc(C[*:1])nc1 COCCOc1ncccc1NC(=O)N(C)[*:1]
C[C@H]1CCCN(C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)C1 C[C@H]1CCCN(C1)C(=O)[*:1] FC(F)(F)c1cc(nc2c(cnn12)[*:1])-c1ccco1
C[C@H]1CCCN(C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)C1 FC(F)(F)[*:1] C[C@H]1CCCN(C1)C(=O)c1cnn2c(cc(nc12)-c1ccco1)[*:1]
C[C@H]1CCCN(C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)C1 c1coc(c1)[*:1] C[C@H]1CCCN(C1)C(=O)c1cnn2c(cc(nc12)[*:1])C(F)(F)F
CCc1nn(C)cc1NC(=O)NCc1ccccc1OCCO OCCO[*:1] CCc1nn(C)cc1NC(=O)NCc1ccccc1[*:1]
CCc1nn(C)cc1NC(=O)NCc1ccccc1OCCO OCC[*:1] CCc1nn(C)cc1NC(=O)NCc1ccccc1O[*:1]
COC(=O)C[C@H](C)S(=O)(=O)C[C@@H]1CN(C)CCO1 COC(=O)[*:1] C[C@@H](C[*:1])S(=O)(=O)C[C@@H]1CN(C)CCO1
COC(=O)C[C@H](C)S(=O)(=O)C[C@@H]1CN(C)CCO1 COC(=O)C[*:1] C[C@H](S(=O)(=O)C[C@@H]1CN(C)CCO1)[*:1]
CC[C@H](Nc1cc(C)nc(COC)n1)c1cccc([N+](=O)[O-])c1 COC[*:1] CC[C@H](Nc1cc(C)nc(n1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](Nc1cc(C)nc(COC)n1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](Nc1cc(C)nc(COC)n1)c1cccc(c1)[*:1]
Cc1nc2ccc(C(=O)Oc3ccc(NC(=O)C4CC4)cc3)cc2nc1C O=C(N[*:1])C1CC1 Cc1nc2ccc(cc2nc1C)C(=O)Oc1ccc(cc1)[*:1]
Cc1nc2ccc(C(=O)Oc3ccc(NC(=O)C4CC4)cc3)cc2nc1C C1CC1[*:1] Cc1nc2ccc(cc2nc1C)C(=O)Oc1ccc(cc1)NC(=O)[*:1]
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N[*:1]
COCC[S@](=O)Cc1cccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)c1 COCC[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1cccc(c1)C[S@@](=O)[*:1]
COCC[S@](=O)Cc1cccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)c1 COCC[S@](=O)C[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1cccc(c1)[*:1]
COCC[S@](=O)Cc1cccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)c1 COC[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1cccc(c1)C[S@@](=O)C[*:1]
CC[C@H]1CCCCCN1C(=O)CN(CCc1ccccc1)C(C)=O c1ccc(cc1)CC[*:1] CC[C@H]1CCCCCN1C(=O)CN(C(C)=O)[*:1]
CC[C@H]1CCCCCN1C(=O)CN(CCc1ccccc1)C(C)=O c1ccc(cc1)C[*:1] CC[C@H]1CCCCCN1C(=O)CN(C[*:1])C(C)=O
CC[C@H]1CCCCCN1C(=O)CN(CCc1ccccc1)C(C)=O c1ccc(cc1)[*:1] CC[C@H]1CCCCCN1C(=O)CN(CC[*:1])C(C)=O
C#CCN(C(=O)Nc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)Nc1ccc(Cl)cc1F)[*:1]
C#CCN(C(=O)Nc1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(Nc1ccc(Cl)cc1F)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1nc(N2CCC[C@@H](C(=O)NCC3CC3)C2)c2cc[nH]c2n1 O=C(NCC1CC1)[*:1] Cc1nc(c2cc[nH]c2n1)N1CCC[C@@H](C1)[*:1]
Cc1nc(N2CCC[C@@H](C(=O)NCC3CC3)C2)c2cc[nH]c2n1 C1CC1[*:1] Cc1nc(c2cc[nH]c2n1)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1nc(N2CCC[C@@H](C(=O)NCC3CC3)C2)c2cc[nH]c2n1 C1CC1C[*:1] Cc1nc(c2cc[nH]c2n1)N1CCC[C@H](C1)C(=O)N[*:1]
Nn1c(SCC(F)(F)F)nnc1-c1ccc(Cl)cc1 FC(F)(F)C[*:1] Nn1c(nnc1-c1ccc(Cl)cc1)S[*:1]
Nn1c(SCC(F)(F)F)nnc1-c1ccc(Cl)cc1 FC(F)(F)[*:1] Nn1c(nnc1-c1ccc(Cl)cc1)SC[*:1]
Nn1c(SCC(F)(F)F)nnc1-c1ccc(Cl)cc1 FC(F)(F)CS[*:1] Nn1c(nnc1[*:1])-c1ccc(Cl)cc1
C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 Clc1ccc(Cl)c(c1)[*:1] C=CCNC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 C=CCNC(=O)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1cc(Cl)ccc1Cl
C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 C=CC[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1cc(Cl)ccc1Cl
Cc1ccccc1[C@H]1CN(C(=O)/C=C/c2ccnc(Cl)c2)CCO1 Clc1cc(ccn1)[*:1] Cc1ccccc1[C@H]1CN(CCO1)C(=O)C=C[*:1]
Cc1ccccc1[C@H]1CN(C(=O)/C=C/c2ccnc(Cl)c2)CCO1 Cc1ccccc1[*:1] O=C(/C=C/c1ccnc(Cl)c1)N1CCO[C@H](C1)[*:1]
Cc1cccc(OCCNc2nnnn2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCCNc1nnnn1[*:1]
Cc1cccc(OCCNc2nnnn2-c2ccccc2)c1 Cc1cccc(c1)[*:1] c1ccc(cc1)-n1nnnc1NCCO[*:1]
C/C=C/CC[NH2+][C@@H]1CCc2ccc(F)cc21 CC=C[*:1] Fc1ccc2CC[C@@H]([NH2+]CC[*:1])c2c1
C/C=C/CC[NH2+][C@@H]1CCc2ccc(F)cc21 C/C=C/CC[*:1] Fc1ccc2CC[C@@H]([NH2+][*:1])c2c1
C/C=C/CC[NH2+][C@@H]1CCc2ccc(F)cc21 C/C=C/C[*:1] Fc1ccc2CC[C@@H]([NH2+]C[*:1])c2c1
CCCCN1C(=O)[C@@H]2[C@H](CCC(=O)[O-])N[C@]3(C(=O)Nc4c(CC)cccc43)[C@@H]2C1=O O=C([O-])[*:1] CCCCN1C(=O)[C@@H]2[C@H](CC[*:1])N[C@]3(C(=O)Nc4c(cccc43)CC)[C@@H]2C1=O
CCCCN1C(=O)[C@@H]2[C@H](CCC(=O)[O-])N[C@]3(C(=O)Nc4c(CC)cccc43)[C@@H]2C1=O CCC[*:1] CCc1cccc2c1NC(=O)[C@]21N[C@@H](CCC(=O)[O-])[C@H]2C(=O)N(C[*:1])C(=O)[C@H]21
CCCCN1C(=O)[C@@H]2[C@H](CCC(=O)[O-])N[C@]3(C(=O)Nc4c(CC)cccc43)[C@@H]2C1=O O=C([O-])C[*:1] CCCCN1C(=O)[C@@H]2[C@H](C[*:1])N[C@]3(C(=O)Nc4c(cccc43)CC)[C@@H]2C1=O
CCCCN1C(=O)[C@@H]2[C@H](CCC(=O)[O-])N[C@]3(C(=O)Nc4c(CC)cccc43)[C@@H]2C1=O O=C([O-])CC[*:1] CCCCN1C(=O)[C@@H]2[C@H](N[C@]3(C(=O)Nc4c(cccc43)CC)[C@@H]2C1=O)[*:1]
CCCCN1C(=O)[C@@H]2[C@H](CCC(=O)[O-])N[C@]3(C(=O)Nc4c(CC)cccc43)[C@@H]2C1=O CCCC[*:1] CCc1cccc2c1NC(=O)[C@]21N[C@@H](CCC(=O)[O-])[C@H]2C(=O)N(C(=O)[C@H]21)[*:1]
C/C(=N/NC(=O)[C@H]1C=C(C(C)C)N=N1)c1cccs1 CC(C)[*:1] C/C(=N/NC(=O)[C@H]1C=C(N=N1)[*:1])c1cccs1
C/C(=N/NC(=O)[C@H]1C=C(C(C)C)N=N1)c1cccs1 c1csc(c1)[*:1] CC(=NNC(=O)[C@H]1C=C(N=N1)C(C)C)[*:1]
N[C@H]1C(=O)Nc2cc(SCc3ccccc3)c(Br)cc21 c1ccc(cc1)[*:1] N[C@H]1C(=O)Nc2cc(SC[*:1])c(Br)cc21
CN(CCC(=O)NC(=O)Nc1ccccc1)Cc1ncnn1C Cn1ncnc1C[*:1] CN(CCC(=O)NC(=O)Nc1ccccc1)[*:1]
CN(CCC(=O)NC(=O)Nc1ccccc1)Cc1ncnn1C c1ccc(cc1)[*:1] CN(CCC(=O)NC(=O)N[*:1])Cc1ncnn1C
CN(CCC(=O)NC(=O)Nc1ccccc1)Cc1ncnn1C Cn1ncnc1[*:1] CN(CCC(=O)NC(=O)Nc1ccccc1)C[*:1]
Cc1cccc2ncnc(-n3cc([N+](=O)[O-])cn3)c12 O=[N+]([O-])[*:1] Cc1cccc2ncnc(c12)-n1cc(cn1)[*:1]
C=CCCCN(C)C(=O)c1cc(-c2csc(C)n2)c[nH]1 C=CC[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N(C)CC[*:1]
C=CCCCN(C)C(=O)c1cc(-c2csc(C)n2)c[nH]1 Cc1nc(cs1)[*:1] C=CCCCN(C)C(=O)c1cc(c[nH]1)[*:1]
C=CCCCN(C)C(=O)c1cc(-c2csc(C)n2)c[nH]1 C=CCCC[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N(C)[*:1]
C=CCCCN(C)C(=O)c1cc(-c2csc(C)n2)c[nH]1 C=CCC[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N(C)C[*:1]
Cn1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)n1 Cn1ccc(n1)[*:1] O=C(N(C[C@@H]1CCCO1)c1nc2ccccc2s1)[*:1]
Cn1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)n1 C1CO[C@@H](C1)[*:1] Cn1ccc(n1)C(=O)N(C[*:1])c1nc2ccccc2s1
Cn1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)n1 C1CO[C@@H](C1)C[*:1] Cn1ccc(n1)C(=O)N(c1nc2ccccc2s1)[*:1]
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 O=C([O-])[*:1] Cc1ccc(cc1NC(=O)c1ccc(o1)-c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)c1ccc(o1)[*:1])C(=O)[O-]
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)c1ccc(o1)-c1cccc(c1)[*:1])C(=O)[O-]
COc1cccc(-c2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)c1 COc1cccc(c1)[*:1] O=C(NCc1cc(on1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
COc1cccc(-c2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)c1 O=S(=O)(N1CCCC1)[*:1] COc1cccc(c1)-c1cc(CNC(=O)c2ccc(cc2)[*:1])no1
O=c1[nH]c(=O)n(C[C@@H]2CCCO2)c2nccc(-c3ccccc3)c12 c1ccc(cc1)[*:1] O=c1[nH]c(=O)n(C[C@@H]2CCCO2)c2nccc(c12)[*:1]
O=c1[nH]c(=O)n(C[C@@H]2CCCO2)c2nccc(-c3ccccc3)c12 C1CO[C@@H](C1)C[*:1] O=c1[nH]c(=O)n(c2nccc(-c3ccccc3)c12)[*:1]
CCc1nn(C)c(Cl)c1CN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CCc1nn(C)c(Cl)c1CN(C)[C@@H]1CCCC[C@H]1[*:1]
O=C1c2ccccc2O[C@@H](c2ccccc2)N1CCO c1ccc(cc1)[*:1] O=C1c2ccccc2O[C@@H](N1CCO)[*:1]
O=C1c2ccccc2O[C@@H](c2ccccc2)N1CCO OCC[*:1] O=C1c2ccccc2O[C@@H](c2ccccc2)N1[*:1]
Cc1nnc(SCC(=O)Nc2cccc(F)c2)n1-n1cccc1 Fc1cccc(c1)[*:1] Cc1nnc(SCC(=O)N[*:1])n1-n1cccc1
C[C@H]1CCN(C(=O)NCc2cscn2)[C@H](C)C1 c1nc(cs1)[*:1] C[C@H]1CCN(C(=O)NC[*:1])[C@H](C)C1
CCOC(=O)c1sc(NC)nc1C(F)(F)F FC(F)(F)[*:1] CCOC(=O)c1sc(nc1[*:1])NC
CCOC(=O)c1sc(NC)nc1C(F)(F)F CCOC(=O)[*:1] CNc1nc(c(s1)[*:1])C(F)(F)F
O=C(Cc1ccccc1F)NNC(=O)c1c[nH]c2cccc(F)c12 Fc1ccccc1C[*:1] O=C(NNC(=O)[*:1])c1c[nH]c2cccc(F)c12
O=C(Cc1ccccc1F)NNC(=O)c1c[nH]c2cccc(F)c12 Fc1ccccc1[*:1] O=C(C[*:1])NNC(=O)c1c[nH]c2cccc(F)c12
Cc1ccccc1CSC1=NS(=O)(=O)c2ccccc2N1 Cc1ccccc1[*:1] O=S1(=O)N=C(Nc2ccccc21)SC[*:1]
Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1C[C@H]1CCCO1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CSc2nnc(n2C)[*:1])c(C)n1C[C@H]1CCCO1
Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(=O)N1CCc2sccc2C1 Cc1ccccc1[*:1] C[C@H](CC(=O)N[*:1])[NH2+]CC(=O)N1CCc2sccc2C1
Clc1cccc(-n2ncc3c(Nc4ccc5c(c4)OCCO5)ncnc32)c1 Clc1cccc(c1)[*:1] c1nc(Nc2ccc3OCCOc3c2)c2cnn(c2n1)[*:1]
O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1csc2c1CCCC2 C1CN(CCO1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])c1csc2CCCCc12
O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 c1ccc2cc(ccc2c1)[*:1] O=C(CO[*:1])Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 c1coc(c1)[*:1] O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)[*:1])c(Cl)c1
O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 O=C(N[*:1])c1ccco1 O=C(COc1ccc2ccccc2c1)Nc1ccc(c(Cl)c1)[*:1]
O=C(C[NH+](Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)cc1Cl c1coc(c1)C[*:1] O=C(C[NH+](Cc1ccco1)[*:1])Nc1ccc(Cl)cc1Cl
O=C(C[NH+](Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)cc1Cl c1coc(c1)[*:1] O=C(C[NH+](Cc1ccco1)C[*:1])Nc1ccc(Cl)cc1Cl
O=C(C[NH+](Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(C[NH+](Cc1ccco1)Cc1ccco1)N[*:1]
CN(C)c1nc(CNS(=O)(=O)c2cccc(Cl)c2)cs1 CN(C)[*:1] O=S(=O)(NCc1csc(n1)[*:1])c1cccc(Cl)c1
CCCCn1c(N)nc2cc(Br)cnc21 CCCC[*:1] Nc1nc2cc(Br)cnc2n1[*:1]
CCCCn1c(N)nc2cc(Br)cnc21 CCC[*:1] Nc1nc2cc(Br)cnc2n1C[*:1]
COCCN(Cc1ccsc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 COC[*:1] O=C([C@@H]1CC(=O)N(C1)c1ccc(F)cc1)N(Cc1ccsc1)C[*:1]
COCCN(Cc1ccsc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 c1cc(cs1)C[*:1] COCCN(C(=O)[C@@H]1CC(=O)N(C1)c1ccc(F)cc1)[*:1]
COCCN(Cc1ccsc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 c1cc(cs1)[*:1] COCCN(C[*:1])C(=O)[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
COCCN(Cc1ccsc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] COCCN(Cc1ccsc1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COCCN(Cc1ccsc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 COCC[*:1] O=C1C[C@H](CN1c1ccc(F)cc1)C(=O)N(Cc1ccsc1)[*:1]
COC(=O)[C@@H]1[C@H](CBr)N1N1C(=O)c2ccccc2C1=O COC(=O)[*:1] O=C1c2ccccc2C(=O)N1N1[C@@H]([C@@H]1CBr)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O CC[C@H](C)C[*:1] C[C@@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O CC[C@H](C)C[C@@H](C)[*:1] O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O CC[C@H](C)[*:1] C[C@H](C[*:1])NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O
Cc1cccc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)c1 Cc1cccc(c1)C(=O)N[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)N1CCCCC1)[*:1]
Cc1cccc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)c1 Cc1cccc(c1)[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)NC(=O)[*:1])N1CCCCC1
Cc1cccc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)c1 C1CCN(CC1)[*:1] Cc1cccc(c1)C(=O)Nc1cc2c(cc1[*:1])n(C)c(=O)c(=O)n2C
CNc1snc(C)c1C(=O)O[C@H](C)C(=O)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N[*:1]
CNc1snc(C)c1C(=O)O[C@H](C)C(=O)Nc1c(F)cccc1F CNc1snc(C)c1[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1c(F)cccc1F
C[NH2+][C@H](COC(C)C)c1ncccn1 CC(C)[*:1] C[NH2+][C@H](CO[*:1])c1ncccn1
C[NH2+][C@H](COC(C)C)c1ncccn1 CC(C)O[*:1] C[NH2+][C@H](C[*:1])c1ncccn1
O=C([C@H]1CCOC1)N(CC(F)(F)F)c1ccccc1 FC(F)(F)C[*:1] O=C([C@H]1CCOC1)N(c1ccccc1)[*:1]
O=C([C@H]1CCOC1)N(CC(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] O=C([C@H]1CCOC1)N(CC(F)(F)F)[*:1]
O=C([C@H]1CCOC1)N(CC(F)(F)F)c1ccccc1 FC(F)(F)[*:1] O=C([C@H]1CCOC1)N(C[*:1])c1ccccc1
Cc1nc(CN(CC(=O)N(C)C)c2ccccc2)oc1C c1ccc(cc1)[*:1] Cc1nc(CN(CC(=O)N(C)C)[*:1])oc1C
Cc1nc(CN(CC(=O)N(C)C)c2ccccc2)oc1C CN(C)C(=O)C[*:1] Cc1nc(CN(c2ccccc2)[*:1])oc1C
Cc1nc(CN(CC(=O)N(C)C)c2ccccc2)oc1C CN(C)C(=O)[*:1] Cc1nc(CN(C[*:1])c2ccccc2)oc1C
Cc1nc(CN(CC(=O)N(C)C)c2ccccc2)oc1C Cc1nc(oc1C)[*:1] CN(C)C(=O)CN(C[*:1])c1ccccc1
COCCn1/c(=N\C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2c(C)cc(C)cc21 COC[*:1] Cc1cc(C)c2s/c(=N/C(=O)[C@H]3CCCCN3S(C)(=O)=O)n(C[*:1])c2c1
COCCn1/c(=N\C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2c(C)cc(C)cc21 COCC[*:1] Cc1cc(C)c2s/c(=N/C(=O)[C@H]3CCCCN3S(C)(=O)=O)n(c2c1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 N#Cc1ccc(cc1)C[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ncn(n1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 N#Cc1ccc(cc1)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ncn(C[*:1])n1
COc1ccc(C[C@@H](C)C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C[C@@H](C)C(=O)N1c2ccc(cc2C[C@H]1C)[*:1]
COc1ccc(C[C@@H](C)C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 COc1ccc(cc1)[*:1] C[C@H](C[*:1])C(=O)N1c2ccc(cc2C[C@H]1C)[N+](=O)[O-]
Cc1cnc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 FC(F)(F)[*:1] Cc1cnc(cn1)C(=O)Nc1ccc(cc1)O[*:1]
Cc1cnc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 Cc1cnc(cn1)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)[*:1]
Cc1cnc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 FC(F)(F)O[*:1] Cc1cnc(cn1)C(=O)Nc1ccc(cc1)[*:1]
Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3O)CC2)cc1C(N)=O Cn1cc(cc1C(N)=O)[*:1] O=C(c1ccccc1O)N1CCN(CC1)S(=O)(=O)[*:1]
Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3O)CC2)cc1C(N)=O Oc1ccccc1[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3O)CC2)cc1C(N)=O NC(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1O
CO[C@]1(C)C[C@H](NC(=O)NCc2ccnc(OCC(F)F)c2)C1(C)C FC(F)C[*:1] CO[C@]1(C)C[C@H](NC(=O)NCc2ccnc(c2)O[*:1])C1(C)C
CO[C@]1(C)C[C@H](NC(=O)NCc2ccnc(OCC(F)F)c2)C1(C)C FC(F)CO[*:1] CO[C@]1(C)C[C@H](NC(=O)NCc2ccnc(c2)[*:1])C1(C)C
CO[C@]1(C)C[C@H](NC(=O)NCc2ccnc(OCC(F)F)c2)C1(C)C FC(F)[*:1] CO[C@]1(C)C[C@H](NC(=O)NCc2ccnc(c2)OC[*:1])C1(C)C
COC(=O)c1nc2ccc(F)cc2c2oc(C(C)(C)O)cc12 COC(=O)[*:1] CC(C)(O)c1cc2c(nc3ccc(F)cc3c2o1)[*:1]
COC(=O)c1nc2ccc(F)cc2c2oc(C(C)(C)O)cc12 CC(C)(O)[*:1] COC(=O)c1nc2ccc(F)cc2c2oc(cc12)[*:1]
CCCCn1c(=O)c2sccc2n2c(=O)n(C)nc12 CCCC[*:1] Cn1nc2n(c(=O)c3sccc3n2c1=O)[*:1]
CCCCn1c(=O)c2sccc2n2c(=O)n(C)nc12 CCC[*:1] Cn1nc2n(C[*:1])c(=O)c3sccc3n2c1=O
Cc1ccc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)s1 Cc1ccc(s1)[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(F)cn1
Cc1ccc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)s1 Fc1ccc(nc1)[*:1] Cc1ccc(NC(=O)N2CCN(CC2)[*:1])s1
CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1OC[*:1]
CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1[*:1]
CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1OC[C@@H]1CCCO1 CCC[*:1] O=C1c2ccccc2N[C@@H](c2ccccc2OC[C@@H]2CCCO2)N1[*:1]
CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1O[*:1]
O[C@H](CNc1ncnc2sc3c(c12)CCNC3)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](CNc1ncnc2sc3CNCCc3c12)[*:1]
Cc1c(C(=O)[C@H](C)Oc2ccccc2Cl)c([O-])n(C[C@H]2CCCO2)c(=O)c1C#N C1CO[C@H](C1)[*:1] Cc1c(C(=O)[C@H](C)Oc2ccccc2Cl)c([O-])n(C[*:1])c(=O)c1C#N
Cc1c(C(=O)[C@H](C)Oc2ccccc2Cl)c([O-])n(C[C@H]2CCCO2)c(=O)c1C#N Clc1ccccc1[*:1] Cc1c(C(=O)[C@H](C)O[*:1])c([O-])n(C[C@H]2CCCO2)c(=O)c1C#N
Cc1c(C(=O)[C@H](C)Oc2ccccc2Cl)c([O-])n(C[C@H]2CCCO2)c(=O)c1C#N C1CO[C@H](C1)C[*:1] Cc1c(C(=O)[C@H](C)Oc2ccccc2Cl)c([O-])n(c(=O)c1C#N)[*:1]
Cc1c(C(=O)[C@H](C)Oc2ccccc2Cl)c([O-])n(C[C@H]2CCCO2)c(=O)c1C#N Clc1ccccc1O[*:1] Cc1c(C(=O)[C@H](C)[*:1])c([O-])n(C[C@H]2CCCO2)c(=O)c1C#N
CCC[NH2+]CC[NH+](C)CC(C)(C)O CCC[NH2+][*:1] C[NH+](CC[*:1])CC(C)(C)O
CCC[NH2+]CC[NH+](C)CC(C)(C)O CC(C)(O)[*:1] CCC[NH2+]CC[NH+](C)C[*:1]
CCC[NH2+]CC[NH+](C)CC(C)(C)O CCC[*:1] C[NH+](CC[NH2+][*:1])CC(C)(C)O
C[C@@H]1CCCCN1c1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)nn1 C(=C[*:1])c1ccccc1 C[C@@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)C(=O)[*:1]
C[C@@H]1CCCCN1c1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)nn1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)C(=O)C=C[*:1]
CC(C)[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1ccc(Cl)cc1 CC(C)[*:1] CC(C)(C)c1nnc(o1)S[C@@H](C(=O)Nc1ccc(Cl)cc1)[*:1]
CC(C)[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1ccc(Cl)cc1 CC(C)(C)[*:1] CC(C)[C@@H](Sc1nnc(o1)[*:1])C(=O)Nc1ccc(Cl)cc1
CC(C)[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)[C@@H](Sc1nnc(o1)C(C)(C)C)C(=O)N[*:1]
COc1cccc(/C=C(/C(=O)OC2CCCCC2)n2nnnc2C)c1 C1CCC(CC1)[*:1] COc1cccc(/C=C(/C(=O)O[*:1])n2nnnc2C)c1
COc1cccc(/C=C(/C(=O)OC2CCCCC2)n2nnnc2C)c1 COc1cccc(c1)[*:1] Cc1nnnn1C(=C[*:1])C(=O)OC1CCCCC1
COc1cccc(/C=C(/C(=O)OC2CCCCC2)n2nnnc2C)c1 Cc1nnnn1[*:1] COc1cccc(C=C(C(=O)OC2CCCCC2)[*:1])c1
C[NH+](Cc1cnc(C2CCC2)s1)C(C1CC1)C1CC1 C1CC(C1)[*:1] C[NH+](Cc1cnc(s1)[*:1])C(C1CC1)C1CC1
C[NH+](Cc1cnc(C2CCC2)s1)C(C1CC1)C1CC1 C1CC1[*:1] C[NH+](Cc1cnc(s1)C1CCC1)C(C1CC1)[*:1]
Cc1ncccc1NC(=O)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 FC(F)(F)[*:1] Cc1ncccc1NC(=O)C(=O)N1CCn2c(C1)nnc2[*:1]
Cc1ncccc1NC(=O)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 Cc1ncccc1[*:1] O=C(N[*:1])C(=O)N1CCn2c(C1)nnc2C(F)(F)F
COc1ccccc1CN1C[C@@H](C(=O)NCc2noc(-c3ccccc3)n2)CCC1=O c1ccc(cc1)[*:1] COc1ccccc1CN1C[C@H](CCC1=O)C(=O)NCc1noc(n1)[*:1]
COc1ccccc1CN1C[C@@H](C(=O)NCc2noc(-c3ccccc3)n2)CCC1=O COc1ccccc1C[*:1] O=C(NCc1noc(n1)-c1ccccc1)[C@H]1CCC(=O)N(C1)[*:1]
COc1ccccc1CN1C[C@@H](C(=O)NCc2noc(-c3ccccc3)n2)CCC1=O COc1ccccc1[*:1] O=C(NCc1noc(n1)-c1ccccc1)[C@H]1CCC(=O)N(C1)C[*:1]
Cc1cccc(S(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 O=C(NC1CC1)[*:1] Cc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C[*:1]
Cc1cccc(S(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 O=C(C[*:1])NC1CC1 Cc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(S(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 Cc1cccc(c1)[*:1] O=C(Cc1ccc(cc1)NS(=O)(=O)[*:1])NC1CC1
Cc1cccc(S(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 C1CC1[*:1] Cc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)CC(=O)N[*:1]
Cc1cccc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)c1C Cc1cccc(c1C)[*:1] O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)N[*:1]
Cc1oc(-c2cccs2)nc1C[S@@](=O)CCO OCC[*:1] Cc1oc(nc1C[S@@](=O)[*:1])-c1cccs1
Cc1oc(-c2cccs2)nc1C[S@@](=O)CCO c1csc(c1)[*:1] Cc1oc(nc1C[S@@](=O)CCO)[*:1]
CCC[C@H]1CN(C(=O)c2cccc(-c3nnc(C)o3)c2)CCO1 CCC[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)c2cccc(-c3nnc(C)o3)c2)CCO1 Cc1nnc(o1)[*:1] CCC[C@H]1CN(CCO1)C(=O)c1cccc(c1)[*:1]
COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)Cc3cn4ccsc4n3)n2)c1 COc1cccc(c1)[*:1] O=C(Cc1cn2ccsc2n1)N1CCC[C@H]1c1nc(c[nH]1)[*:1]
COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)Cc3cn4ccsc4n3)n2)c1 c1cn2cc(C[*:1])nc2s1 COc1cccc(c1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[*:1]
COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)Cc3cn4ccsc4n3)n2)c1 c1cn2cc(nc2s1)[*:1] COc1cccc(c1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)C[*:1]
COC(=O)Cn1c(=O)oc(=O)c2cc(C)ccc21 COC(=O)C[*:1] Cc1ccc2c(c1)c(=O)oc(=O)n2[*:1]
COC(=O)Cn1c(=O)oc(=O)c2cc(C)ccc21 COC(=O)[*:1] Cc1ccc2c(c1)c(=O)oc(=O)n2C[*:1]
CC1(CNC(=O)Cc2cccc(F)c2F)CCCC1 CC1(CCCC1)[*:1] O=C(Cc1cccc(F)c1F)NC[*:1]
CCCc1cc(NC(=O)[C@@H](C)Oc2cccc(C#N)c2)n(C)n1 CCC[*:1] C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1cc(nn1C)[*:1]
CCOC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 CCOC(=O)[*:1] CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CCOC(=O)[C@@H]1CC[C@H](C1)NC(=O)O[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2ncnc3c2cnn3C)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](Sc1ncnc2c1cnn2C)C(=O)N(CCC#N)[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2ncnc3c2cnn3C)c1 N#CC[*:1] Cc1cc(C)cc(c1)N(C[*:1])C(=O)[C@H](C)Sc1ncnc2c1cnn2C
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2ncnc3c2cnn3C)c1 N#CCC[*:1] Cc1cc(C)cc(c1)N(C(=O)[C@H](C)Sc1ncnc2c1cnn2C)[*:1]
CCc1cc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)on1 CCc1cc(on1)[*:1] CS(=O)(=O)N1CCCn2nc(cc2C1)CNC(=O)[*:1]
COc1ccc([C@@H](C[NH3+])OC(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)[C@@H](C[NH3+])O[*:1]
COc1ccc([C@@H](C[NH3+])OC(C)C)cc1F CC(C)O[*:1] COc1ccc(cc1F)[C@@H](C[NH3+])[*:1]
COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 c1ccc(cc1)C[*:1] COC(=O)[C@]1([NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@@H]21)c1ccc2OCOc2c1)[*:1]
COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 COC(=O)[*:1] Cc1ccccc1[C@H]1[NH2+][C@](Cc2ccccc2)([C@H]2C(=O)N(C(=O)[C@H]12)c1ccc2OCOc2c1)[*:1]
COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 c1ccc(cc1)[*:1] COC(=O)[C@@]1(C[*:1])[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@@H]21)c1ccc2OCOc2c1
COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 c1cc2OCOc2cc1[*:1] COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1]
COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 Cc1ccccc1[*:1] COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H]([C@H]2C(=O)N(C(=O)[C@@H]21)c1ccc2OCOc2c1)[*:1]
CCc1c(C)nc2ncnn2c1N1CCN(c2cccc(C)c2C)CC1 Cc1cccc(c1C)[*:1] CCc1c(C)nc2ncnn2c1N1CCN(CC1)[*:1]
Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)cc1F O=C([O-])[*:1] Cc1ccc(cc1F)S(=O)(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CC[NH+]1CCN(Cc2cc(C(=O)NC[C@@H](O)c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)Cc1cc(no1)C(=O)NC[C@@H](O)[*:1]
CC[NH+]1CCN(Cc2cc(C(=O)NC[C@@H](O)c3ccccc3)no2)CC1 O[C@@H](c1ccccc1)[*:1] CC[NH+]1CCN(CC1)Cc1cc(no1)C(=O)NC[*:1]
COC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccc3cccnc23)c1 COC(=O)[*:1] Cc1ccc(cc1S(=O)(=O)NCc1cccc2cccnc12)[*:1]
CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1 Fc1ccccc1[*:1] CC[NH+]1CCN(CC1)C(=O)C1CC[NH+](CC1)C[*:1]
CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1 Fc1ccccc1C[*:1] CC[NH+]1CCN(CC1)C(=O)C1CC[NH+](CC1)[*:1]
COc1cccc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2)c1 COc1cccc(c1)[*:1] Cc1nc2ncccc2c(=O)n1-c1ccc(cc1)NC(=O)[*:1]
O=[N+]([O-])c1ccc2oc(NC[C@H]3COCCO3)nc2c1 C1CO[C@H](CO1)[*:1] O=[N+]([O-])c1ccc2oc(nc2c1)NC[*:1]
O=[N+]([O-])c1ccc2oc(NC[C@H]3COCCO3)nc2c1 O=[N+]([O-])[*:1] c1cc2oc(nc2cc1[*:1])NC[C@H]1COCCO1
CC(=O)Nc1ccc(-c2nccn2CC(F)(F)F)cc1 FC(F)(F)C[*:1] CC(=O)Nc1ccc(cc1)-c1nccn1[*:1]
CC(=O)Nc1ccc(-c2nccn2CC(F)(F)F)cc1 FC(F)(F)[*:1] CC(=O)Nc1ccc(cc1)-c1nccn1C[*:1]
CC(=O)Nc1ccc(-c2nccn2CC(F)(F)F)cc1 CC(=O)N[*:1] FC(F)(F)Cn1ccnc1-c1ccc(cc1)[*:1]
O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)c1ccccc1F)[*:1]
O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cccc2ccccc12 Fc1ccccc1[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)[*:1])c1cccc2ccccc12
CN(C[C@H](O)c1c(F)cccc1F)c1ccccc1 c1ccc(cc1)[*:1] CN(C[C@H](O)c1c(F)cccc1F)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)[S@@](=O)Cc1cn2ccccc2n1 CCC[*:1] C[C@H](NC(=O)[C@@H](C)[S@@](=O)Cc1cn2ccccc2n1)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)[S@@](=O)Cc1cn2ccccc2n1 CCC[C@H](C)[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1cn2ccccc2n1
CC1(C)C[C@@](C)(O)N(Cc2cccc(C(F)(F)F)c2)C(=S)N1 FC(F)(F)[*:1] CC1(C)C[C@@](C)(O)N(Cc2cccc(c2)[*:1])C(=S)N1
CC(C)S(=O)(=O)CC(=O)N1CCN(c2ncccc2C#N)CC1 CC(C)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)CS(=O)(=O)[*:1]
CC(C)S(=O)(=O)CC(=O)N1CCN(c2ncccc2C#N)CC1 CC(C)S(=O)(=O)C[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)[*:1]
CC(C)S(=O)(=O)CC(=O)N1CCN(c2ncccc2C#N)CC1 CC(C)S(=O)(=O)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)C[*:1]
O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(Cl)ccc1[*:1]
CN(C(=O)NCCOCC(F)(F)F)[C@H]1CCc2ccccc21 FC(F)(F)COC[*:1] CN(C(=O)NC[*:1])[C@H]1CCc2ccccc21
CN(C(=O)NCCOCC(F)(F)F)[C@H]1CCc2ccccc21 FC(F)(F)CO[*:1] CN(C(=O)NCC[*:1])[C@H]1CCc2ccccc21
CN(C(=O)NCCOCC(F)(F)F)[C@H]1CCc2ccccc21 FC(F)(F)[*:1] CN(C(=O)NCCOC[*:1])[C@H]1CCc2ccccc21
CN(C(=O)NCCOCC(F)(F)F)[C@H]1CCc2ccccc21 FC(F)(F)C[*:1] CN(C(=O)NCCO[*:1])[C@H]1CCc2ccccc21
CC[C@@H](c1ccccc1)[C@H]1N=N/C(=N/C(=O)Nc2ccc(OC)cc2)S1 COc1ccc(cc1)[*:1] CC[C@@H](c1ccccc1)[C@H]1N=N/C(=N/C(=O)N[*:1])S1
CC[C@@H](c1ccccc1)[C@H]1N=N/C(=N/C(=O)Nc2ccc(OC)cc2)S1 c1ccc(cc1)[*:1] CC[C@@H]([C@H]1N=N/C(=N/C(=O)Nc2ccc(cc2)OC)S1)[*:1]
Cc1cc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)no1 Cc1cc(C[*:1])no1 C1CO[C@@H](C1)Cn1c(nnc1N1CCOCC1)S[*:1]
Cc1cc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)no1 C1CO[C@@H](C1)[*:1] Cc1cc(CSc2nnc(N3CCOCC3)n2C[*:1])no1
Cc1cc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)no1 Cc1cc(no1)[*:1] C1CO[C@@H](C1)Cn1c(nnc1N1CCOCC1)SC[*:1]
Cc1cc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)no1 C1CN(CCO1)[*:1] Cc1cc(CSc2nnc(n2C[C@@H]2CCCO2)[*:1])no1
Cc1cc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)no1 C1CO[C@@H](C1)C[*:1] Cc1cc(CSc2nnc(N3CCOCC3)n2[*:1])no1
Cc1cc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)no1 Cc1cc(CS[*:1])no1 C1CO[C@@H](C1)Cn1c(nnc1[*:1])N1CCOCC1
COC(=O)c1cc(Br)ccc1NC(=O)c1ccc(Br)cc1 COC(=O)[*:1] O=C(Nc1ccc(Br)cc1[*:1])c1ccc(Br)cc1
COC(=O)c1cc(Br)ccc1NC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COC(=O)c1cc(Br)ccc1NC(=O)[*:1]
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)/C=C/c1ccc(OCC#N)cc1 N#CCO[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)/C=C/c1ccc(cc1)[*:1]
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)/C=C/c1ccc(OCC#N)cc1 Fc1ccc(cc1F)[*:1] C[C@H](N(C)C(=O)/C=C/c1ccc(cc1)OCC#N)[*:1]
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)/C=C/c1ccc(OCC#N)cc1 N#CC[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)/C=C/c1ccc(cc1)O[*:1]
Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccc(OC(F)(F)F)cc3)oc12 FC(F)(F)[*:1] Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccc(cc3)O[*:1])oc12
Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccc(OC(F)(F)F)cc3)oc12 NC(=O)[*:1] Cc1ncc(CO)c2cc(/c(=N/c3ccc(cc3)OC(F)(F)F)oc12)[*:1]
Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccc(OC(F)(F)F)cc3)oc12 FC(F)(F)O[*:1] Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccc(cc3)[*:1])oc12
C[C@H]([NH3+])[C@H]1CCCC(C)(C)CC1 C[C@H]([NH3+])[*:1] CC1(C)CCC[C@@H](CC1)[*:1]
CS(=O)(=O)c1ccc(Cl)c(NC(=O)/C=C/c2cccc(F)c2)c1 CS(=O)(=O)[*:1] O=C(/C=C/c1cccc(F)c1)Nc1cc(ccc1Cl)[*:1]
CS(=O)(=O)c1ccc(Cl)c(NC(=O)/C=C/c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)NC(=O)C=C[*:1]
CCCn1ncc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)c1C Cc1ccc(cc1)[*:1] CCCn1ncc(C(=O)N[C@H](c2cccnc2)[*:1])c1C
CCCn1ncc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)c1C c1cncc(c1)[*:1] CCCn1ncc(C(=O)N[C@H](c2ccc(C)cc2)[*:1])c1C
CCCn1ncc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)c1C CCC[*:1] Cc1ccc(cc1)[C@@H](NC(=O)c1cnn(c1C)[*:1])c1cccnc1
CC(C)OC(=O)[C@H](C)CNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)OC(=O)[C@H](C)CNC(=O)N1C[C@H](C)O[C@@H](C1)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 CC(C)[*:1] C[C@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)NC[C@@H](C)C(=O)O[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 CC(C)OC(=O)[C@H](C)[*:1] C[C@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)NC[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 CC(C)OC(=O)[*:1] C[C@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)NC[C@@H](C)[*:1]
O=C(NC1CCCCC1)c1c(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCCC2 O=C(NC1CCCCC1)[*:1] O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1sc2CCCCc2c1[*:1]
O=C(NC1CCCCC1)c1c(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCCC2 C1CCC(CC1)[*:1] O=C(N[*:1])c1c(sc2CCCCc21)N1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O
COC(=O)C(CC[C@@]1(C)[C@@H](C)CC=C[C@H]1O)C(=O)OC COC(=O)[*:1] COC(=O)C(CC[C@@]1(C)[C@@H](C)CC=C[C@H]1O)[*:1]
CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 O=[N+]([O-])[*:1] CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(c2)[*:1])C(=O)N1c1ccccc1
CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 CNC(=O)[*:1] N#CC(=C1S[C@H](Cc2cccc(c2)[N+](=O)[O-])C(=O)N1c1ccccc1)[*:1]
CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(c2)[N+](=O)[O-])C(=O)N1[*:1]
CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] CNC(=O)/C(C#N)=C1/S[C@H](C[*:1])C(=O)N1c1ccccc1
C[C@H]1CCc2sc(C(=O)OC[C@H]3CC(=O)N(C4CC4)C3)cc2C1 C1CC1[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)OC[C@H]1CC(=O)N(C1)[*:1]
Cn1cc(CCC[NH+]2CCC(c3ccc(F)cc3)CC2)cn1 Cn1cc(cn1)C[*:1] Fc1ccc(cc1)C1CC[NH+](CC1)CC[*:1]
Cn1cc(CCC[NH+]2CCC(c3ccc(F)cc3)CC2)cn1 Fc1ccc(cc1)[*:1] Cn1cc(cn1)CCC[NH+]1CCC(CC1)[*:1]
Cn1cc(CCC[NH+]2CCC(c3ccc(F)cc3)CC2)cn1 Cn1cc(cn1)[*:1] Fc1ccc(cc1)C1CC[NH+](CCC[*:1])CC1
COC(=O)[C@H](C)NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 COC(=O)[*:1] C[C@H](NC(=O)c1nc(-c2ccccc2)n2CCCCCc12)[*:1]
COC(=O)[C@H](C)NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 COC(=O)[C@H](C)[*:1] O=C(N[*:1])c1nc(-c2ccccc2)n2CCCCCc12
COC(=O)[C@H](C)NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 c1ccc(cc1)[*:1] COC(=O)[C@H](C)NC(=O)c1nc(n2CCCCCc12)[*:1]
CC(=O)N[C@H]1C(=O)N=C(SCC(=O)Nc2cccc3ccccc23)NC1=O CC(=O)N[*:1] O=C(CSC1=NC(=O)[C@@H](C(=O)N1)[*:1])Nc1cccc2ccccc12
CC(C)c1ccccc1NC(=O)C(=O)NCCc1cccc(F)c1 Fc1cccc(c1)C[*:1] CC(C)c1ccccc1NC(=O)C(=O)NC[*:1]
CC(C)c1ccccc1NC(=O)C(=O)NCCc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)c1ccccc1NC(=O)C(=O)NCC[*:1]
CC(C)c1ccccc1NC(=O)C(=O)NCCc1cccc(F)c1 CC(C)[*:1] O=C(NCCc1cccc(F)c1)C(=O)Nc1ccccc1[*:1]
CC[C@H](C)n1nccc1NC(=O)Cn1cnc2c(cnn2C)c1=O CC[C@H](C)[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)Nc1ccnn1[*:1]
CCc1ccc(N([C@H](C)C(=O)NCc2cccnc2)S(C)(=O)=O)cc1 c1cncc(c1)C[*:1] CCc1ccc(cc1)N([C@H](C)C(=O)N[*:1])S(C)(=O)=O
CCc1ccc(N([C@H](C)C(=O)NCc2cccnc2)S(C)(=O)=O)cc1 CCc1ccc(cc1)[*:1] C[C@H](C(=O)NCc1cccnc1)N(S(C)(=O)=O)[*:1]
CCc1ccc(N([C@H](C)C(=O)NCc2cccnc2)S(C)(=O)=O)cc1 c1cncc(c1)[*:1] CCc1ccc(cc1)N([C@H](C)C(=O)NC[*:1])S(C)(=O)=O
COc1ccc([C@H](C)[NH2+]Cc2ccccn2)cc1F c1ccc(nc1)[*:1] COc1ccc(cc1F)[C@H](C)[NH2+]C[*:1]
CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(nc1)[*:1]
CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCCC2)nc1 CC(C)[*:1] O=C(NCCCn1cc[nH+]c1[*:1])c1ccc(nc1)N1CCCC1
COC(=O)c1cc(NC(=O)[C@H]2CC[NH2+][C@H]2C)ccc1F COC(=O)[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(F)c(c1)[*:1]
COc1ccc(C(=O)N(C[C@H]2CCC(=O)N2)C(C)C)o1 CC(C)[*:1] COc1ccc(o1)C(=O)N(C[C@H]1CCC(=O)N1)[*:1]
COc1ccc(C(=O)N(C[C@H]2CCC(=O)N2)C(C)C)o1 O=C1CC[C@@H](N1)[*:1] COc1ccc(o1)C(=O)N(C[*:1])C(C)C
C[NH2+][C@@H](Cc1csc(C)n1)C(OC)OC COC(OC)[*:1] C[NH2+][C@@H](Cc1csc(C)n1)[*:1]
COc1ccc(F)cc1C(=O)Nc1cc(F)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1ccc(F)cc1C(=O)Nc1cc(F)ccc1[*:1]
COc1ccc(F)cc1C(=O)Nc1cc(F)ccc1OCC(F)(F)F FC(F)(F)C[*:1] COc1ccc(F)cc1C(=O)Nc1cc(F)ccc1O[*:1]
COc1ccc(F)cc1C(=O)Nc1cc(F)ccc1OCC(F)(F)F FC(F)(F)[*:1] COc1ccc(F)cc1C(=O)Nc1cc(F)ccc1OC[*:1]
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C[NH+]2CCCCCC2)c1 CC[C@@H](C)[*:1] O=C(C[NH+]1CCCCCC1)NCc1cccc(c1)NC(=O)[*:1]
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C[NH+]2CCCCCC2)c1 CC[C@@H](C)C(=O)N[*:1] O=C(C[NH+]1CCCCCC1)NCc1cccc(c1)[*:1]
CCC[C@@](O)(c1ccccc1)[C@H](C)C#N C[C@H](C#N)[*:1] CCC[C@@](O)(c1ccccc1)[*:1]
CCC[C@@](O)(c1ccccc1)[C@H](C)C#N CCC[*:1] C[C@H](C#N)[C@@](O)(c1ccccc1)[*:1]
CC(C)N(CC(C)(C)O)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CC(C)(O)C[*:1] CC(C)N(C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
CC(C)N(CC(C)(C)O)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CC(C)N(CC(C)(C)O)C(=O)N[C@@H]1CCO[C@H]1[*:1]
CC(C)N(CC(C)(C)O)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CC(C)[*:1] CC(C)(O)CN(C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
CC(C)N(CC(C)(C)O)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CC(C)(O)[*:1] CC(C)N(C[*:1])C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
CC(C)[C@H](O)[C@]1(C[NH3+])CCc2ccccc21 CC(C)[*:1] [NH3+]C[C@]1(CCc2ccccc21)[C@@H](O)[*:1]
CC(C)[C@H](O)[C@]1(C[NH3+])CCc2ccccc21 CC(C)[C@H](O)[*:1] [NH3+]C[C@@]1(CCc2ccccc21)[*:1]
CCc1cccc(C)c1NC(=O)CN1C(=O)C(C)=C(c2ccc(F)cc2)S1(=O)=O CCc1cccc(C)c1[*:1] CC1C(=O)N(CC(=O)N[*:1])S(=O)(=O)C=1c1ccc(F)cc1
CCc1cccc(C)c1NC(=O)CN1C(=O)C(C)=C(c2ccc(F)cc2)S1(=O)=O Fc1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)CN1C(=O)C(C)=C(S1(=O)=O)[*:1]
CC(=O)Nc1ccc2scc(C)c2c1[N+](=O)[O-] CC(=O)N[*:1] Cc1csc2ccc(c(c12)[N+](=O)[O-])[*:1]
CC(=O)Nc1ccc2scc(C)c2c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=O)Nc1ccc2scc(C)c2c1[*:1]
CC(C)c1ccc([C@H]2C[C@H]2C(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1 CC(C)[*:1] C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)[*:1])C(=O)NC(C)(C)C
CC(C)c1ccc([C@H]2C[C@H]2C(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@H]1C(=O)N[C@@H](C)[*:1]
CC(C)c1ccc([C@H]2C[C@H]2C(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@H]1C(=O)N[C@@H](C)C(=O)N[*:1]
C=CCn1c(=O)c2c(nc3n2CC(C)=NN3Cc2cccc3ccccc23)n(C)c1=O C=CC[*:1] CC1Cn2c(nc3c2c(=O)n(c(=O)n3C)[*:1])N(Cc2cccc3ccccc23)N=1
C=CCn1c(=O)c2c(nc3n2CC(C)=NN3Cc2cccc3ccccc23)n(C)c1=O c1ccc2c(cccc2c1)[*:1] C=CCn1c(=O)c2c(nc3N(C[*:1])N=C(C)Cn32)n(C)c1=O
Cc1ncsc1C(=O)Nc1ccccc1[C@H](C)NC(=O)c1scnc1C Cc1ncsc1[*:1] Cc1ncsc1C(=O)N[C@@H](C)c1ccccc1NC(=O)[*:1]
Cc1ncsc1C(=O)Nc1ccccc1[C@H](C)NC(=O)c1scnc1C Cc1ncsc1[*:1] Cc1ncsc1C(=O)Nc1ccccc1[C@H](C)NC(=O)[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] C[C@@H]1[C@H](CCN1C(=O)NC[*:1])C(=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC[C@@H]1COCCO1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)NC[C@@H]1COCCO1)[*:1]
COCCc1cc(NC[C@@H]2CCC[C@H](C)C2)n(C)n1 COC[*:1] C[C@H]1CCC[C@@H](CNc2cc(C[*:1])nn2C)C1
COCCc1cc(NC[C@@H]2CCC[C@H](C)C2)n(C)n1 COCC[*:1] C[C@H]1CCC[C@@H](CNc2cc(nn2C)[*:1])C1
FC(F)(F)c1ccc(CNC2CC[NH+](Cc3cccnc3)CC2)cc1 c1cncc(c1)C[*:1] FC(F)(F)c1ccc(cc1)CNC1CC[NH+](CC1)[*:1]
FC(F)(F)c1ccc(CNC2CC[NH+](Cc3cccnc3)CC2)cc1 FC(F)(F)[*:1] c1cncc(c1)C[NH+]1CCC(CC1)NCc1ccc(cc1)[*:1]
FC(F)(F)c1ccc(CNC2CC[NH+](Cc3cccnc3)CC2)cc1 c1cncc(c1)[*:1] FC(F)(F)c1ccc(cc1)CNC1CC[NH+](CC1)C[*:1]
CC[NH2+][C@@H](C)c1ccnc(Oc2ccccc2C(N)=O)c1 NC(=O)[*:1] CC[NH2+][C@@H](C)c1ccnc(c1)Oc1ccccc1[*:1]
Cc1ccccc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3n2C)c1 Cc1ccccc1[*:1] Cn1c(CCc2cccc(c2)NS(=O)(=O)[*:1])nc2ccccc21
COc1ccc(CCNC(=O)c2nn([C@@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])c1nn(c2CCCCc12)[C@@H]1CCS(=O)(=O)C1
COc1ccc(CCNC(=O)c2nn([C@@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 COc1ccc(cc1)C[*:1] O=C(NC[*:1])c1nn(c2CCCCc12)[C@@H]1CCS(=O)(=O)C1
CCOc1ncccc1C(=O)Nc1ccc(C(=O)NC)cc1 CCO[*:1] CNC(=O)c1ccc(cc1)NC(=O)c1cccnc1[*:1]
CCOc1ncccc1C(=O)Nc1ccc(C(=O)NC)cc1 CNC(=O)[*:1] CCOc1ncccc1C(=O)Nc1ccc(cc1)[*:1]
Cn1nccc1C(=O)Nc1sccc1-c1nc2ccccc2s1 Cn1nccc1[*:1] O=C(Nc1sccc1-c1nc2ccccc2s1)[*:1]
C[C@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](OC(=O)C1CCN(CC1)C(=O)C(C)(C)C)C(=O)N[*:1]
C[C@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1ccc2c(c1)OCO2 CC(C)(C)[*:1] C[C@H](OC(=O)C1CCN(CC1)C(=O)[*:1])C(=O)Nc1ccc2OCOc2c1
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCSC[C@H]1CN1CCOCC1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)N1CCCSC[C@H]1CN1CCOCC1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCSC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCSC[C@@H]1[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCSC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCSC[C@H]1C[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1C1CC1 CC[C@@H](C)[*:1] O=C(c1cnn(c1C1CC1)[*:1])N1CCC(CC1)n1cc[nH+]c1
CC[C@@H](C)n1ncc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC(CC2)n2cc[nH+]c2)c1[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)c2ccc(F)c(F)c2)c(c1C)[*:1]
CC(C)[NH+]1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 CC(C)[*:1] O=C(CN1CC[NH+](CC1)[*:1])NCCc1ccc(F)cc1
CC(C)[NH+]1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)[NH+]1CCN(CC1)CC(=O)NCC[*:1]
CC(C)(CNC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccncc1 FC(F)[*:1] CC(C)(CNC(=O)Cn1c(nc2ccccc21)S[*:1])c1ccncc1
CC(C)(CNC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(Cn1c(nc2ccccc21)SC(F)F)NC[*:1]
CC(C)(CNC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)Cn1c(nc2ccccc21)SC(F)F)[*:1]
CC(C)(CNC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccncc1 FC(F)S[*:1] CC(C)(CNC(=O)Cn1c(nc2ccccc21)[*:1])c1ccncc1
[NH3+][C@@H](CC(=O)[O-])c1cccc2ccccc12 O=C([O-])[*:1] [NH3+][C@@H](C[*:1])c1cccc2ccccc12
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CCN(CC1)C(=O)[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCCC1)[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1
C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 O=[N+]([O-])[*:1] C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(n1)[*:1]
CCOc1ccccc1NC(=O)Cn1nc(-c2cccc(Br)c2)ccc1=O CCO[*:1] O=C(Cn1nc(ccc1=O)-c1cccc(Br)c1)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)Cn1nc(-c2cccc(Br)c2)ccc1=O CCOc1ccccc1[*:1] O=C(Cn1nc(ccc1=O)-c1cccc(Br)c1)N[*:1]
CCOc1ccccc1NC(=O)Cn1nc(-c2cccc(Br)c2)ccc1=O Brc1cccc(c1)[*:1] CCOc1ccccc1NC(=O)Cn1nc(ccc1=O)[*:1]
C[C@H](Cc1ccc(C2CC2)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](Cc1ccc(cc1)C1CC1)[*:1]
C[C@H](Cc1ccc(C2CC2)cc1)C(=O)[O-] C1CC1[*:1] C[C@H](Cc1ccc(cc1)[*:1])C(=O)[O-]
Cc1noc(C)c1[C@@H](C)NC(=O)NCC1(c2cccc(F)c2)CCOCC1 Fc1cccc(c1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)NCC1(CCOCC1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)NCC1(c2cccc(F)c2)CCOCC1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)NCC1(CCOCC1)c1cccc(F)c1)[*:1]
O=C(NC[C@H](O)C1CCOCC1)c1cncn1-c1ccccc1 C1CC(CCO1)[*:1] O=C(NC[C@H](O)[*:1])c1cncn1-c1ccccc1
O=C(NC[C@H](O)C1CCOCC1)c1cncn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H](O)C1CCOCC1)c1cncn1[*:1]
O=C(NCCCSc1ccccc1)c1cc(Br)ccc1Cl c1ccc(cc1)[*:1] O=C(NCCCS[*:1])c1cc(Br)ccc1Cl
O=C(NCCCSc1ccccc1)c1cc(Br)ccc1Cl c1ccc(cc1)S[*:1] O=C(NCCC[*:1])c1cc(Br)ccc1Cl
CCOC(=O)CN1C(=O)CS[C@@]12C(=O)Nc1ccccc12 CCOC(=O)[*:1] O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1C[*:1]
CCOC(=O)CN1C(=O)CS[C@@]12C(=O)Nc1ccccc12 CCOC(=O)C[*:1] O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1[*:1]
CC(C)(C)[NH2+]Cc1cccc(Oc2ncccn2)c1 c1cnc(nc1)[*:1] CC(C)(C)[NH2+]Cc1cccc(c1)O[*:1]
CC(C)(C)[NH2+]Cc1cccc(Oc2ncccn2)c1 CC(C)(C)[*:1] c1cnc(nc1)Oc1cccc(c1)C[NH2+][*:1]
CC(C)(O)CC[NH2+][C@H]1CCCS(=O)(=O)C1 CC(C)(O)[*:1] O=S1(=O)CCC[C@@H](C1)[NH2+]CC[*:1]
CC(C)(O)CC[NH2+][C@H]1CCCS(=O)(=O)C1 CC(C)(O)C[*:1] O=S1(=O)CCC[C@@H](C1)[NH2+]C[*:1]
O=[N+]([O-])c1ccc([O-])c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 O=[N+]([O-])[*:1] [O-]c1ccc(cc1/N=C/c1cc(Cl)cc(Cl)c1O)[*:1]
CC1CC[NH+](CCCNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)CC1 S=c1[nH]ccn1[*:1] CC1CC[NH+](CCCNC(=O)c2ccc(cc2)[*:1])CC1
C=CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 c1csc(c1)C[*:1] C=CCN(C(=O)c1ccc(cc1)NC(=O)c1ccccc1)[*:1]
C=CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 O=C(N[*:1])c1ccccc1 C=CCN(Cc1cccs1)C(=O)c1ccc(cc1)[*:1]
C=CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 C=CC[*:1] O=C(Nc1ccc(cc1)C(=O)N(Cc1cccs1)[*:1])c1ccccc1
C=CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)c1ccc(cc1)NC(=O)c1ccccc1
C=CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] C=CCN(Cc1cccs1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCCCn1nccc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 CCC[*:1] O=C(Nc1ccnn1C[*:1])c1ccn(n1)-c1cccc(Cl)c1
CCCCn1nccc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CCCCn1nccc1NC(=O)c1ccn(n1)[*:1]
CCCCn1nccc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 CCCC[*:1] O=C(Nc1ccnn1[*:1])c1ccn(n1)-c1cccc(Cl)c1
Cc1cncc(NC(=O)N(C)Cc2cc(Br)ccc2F)c1 Cc1cncc(c1)[*:1] CN(Cc1cc(Br)ccc1F)C(=O)N[*:1]
C[C@H]1CN(S(=O)(=O)[C@@H](C)c2cnccn2)CC[NH2+]1 c1cnc(cn1)[*:1] C[C@H]1CN(CC[NH2+]1)S(=O)(=O)[C@@H](C)[*:1]
O=C(C(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(C(=O)N1CCN(CC1)C(=O)c1cc(nc2ccccc12)[*:1])N1CCCC1
COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 COc1ccc(cc1)[*:1] O=C(/C=C/c1ccc(Cl)c(c1)[N+](=O)[O-])N1CCC[C@@H]1[*:1]
COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)/C=C/c1ccc(Cl)c(c1)[*:1]
COc1ccc(C(=O)OCC(=O)N[C@@H](C)C(C)C)c(F)c1 CC(C)[*:1] COc1ccc(C(=O)OCC(=O)N[C@@H](C)[*:1])c(F)c1
COc1ccc(C(=O)OCC(=O)N[C@@H](C)C(C)C)c(F)c1 CC(C)[C@H](C)[*:1] COc1ccc(C(=O)OCC(=O)N[*:1])c(F)c1
Cc1nc(C[C@@H]([NH3+])[C@@H]2CN(C(C)C)CCO2)cs1 Cc1nc(cs1)[*:1] CC(C)N1CCO[C@@H](C1)[C@H]([NH3+])C[*:1]
Cc1nc(C[C@@H]([NH3+])[C@@H]2CN(C(C)C)CCO2)cs1 CC(C)[*:1] Cc1nc(cs1)C[C@@H]([NH3+])[C@@H]1CN(CCO1)[*:1]
c1cncc(-c2ncc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)s2)c1 c1cncc(c1)[*:1] c1nc(sc1C[NH+]1C[C@H]2CCCC[C@@H]2C1)[*:1]
CCS[C@@H]1CC[C@H](NC(=O)NCc2cn(C)nc2CC)C1 CCS[*:1] CCc1nn(C)cc1CNC(=O)N[C@H]1CC[C@H](C1)[*:1]
CCc1nn(C)cc1C(=O)N(C)CC(=O)Nc1cccc(C)n1 Cc1cccc(n1)[*:1] CCc1nn(C)cc1C(=O)N(C)CC(=O)N[*:1]
FC(F)(F)[C@@H](Br)c1ccccc1Cl FC(F)(F)[*:1] Clc1ccccc1[C@H](Br)[*:1]
CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4cc(C)cc(C)c4)ccn23)cc1 CCOc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)-n1ccn2c(nnc2c1=O)SCC(=O)[*:1]
CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4cc(C)cc(C)c4)ccn23)cc1 Cc1cc(C)cc(c1)[*:1] CCOc1ccc(cc1)C(=O)CSc1nnc2c(=O)n(ccn12)[*:1]
CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4cc(C)cc(C)c4)ccn23)cc1 CCO[*:1] Cc1cc(C)cc(c1)-n1ccn2c(nnc2c1=O)SCC(=O)c1ccc(cc1)[*:1]
Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCN(C1=O)[*:1]
COC(=O)c1c(CBr)nc2n(Cc3ccccc3)c3ccccc3n12 COC(=O)[*:1] BrCc1nc2n(Cc3ccccc3)c3ccccc3n2c1[*:1]
COC(=O)c1c(CBr)nc2n(Cc3ccccc3)c3ccccc3n12 c1ccc(cc1)C[*:1] COC(=O)c1c(CBr)nc2n(c3ccccc3n12)[*:1]
COC(=O)c1c(CBr)nc2n(Cc3ccccc3)c3ccccc3n12 c1ccc(cc1)[*:1] COC(=O)c1c(CBr)nc2n(C[*:1])c3ccccc3n12
COc1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cn1 Cc1ccc(o1)[*:1] COc1ccc(cn1)NC(=O)N[C@@H](C)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2c1CC(C)(C)O2 O=[N+]([O-])[*:1] Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[*:1])c2OC(C)(C)Cc12
O=C(N/N=C\c1ccoc1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(N/N=C\c1ccoc1)c1ccccc1[*:1]
O=C(N/N=C\c1ccoc1)c1ccccc1[N+](=O)[O-] c1cc(co1)[*:1] O=C(NN=C[*:1])c1ccccc1[N+](=O)[O-]
Cc1cc(=O)[nH]c(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1 Cc1cc(=O)[nH]c(n1)[*:1] O=C(c1cc(F)cc(F)c1)N1CCN(CC1)[*:1]
Cc1cc(=O)[nH]c(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1 Fc1cc(F)cc(c1)[*:1] Cc1cc(=O)[nH]c(n1)N1CCN(CC1)C(=O)[*:1]
CCCC[C@@H](CC)C(=O)NCc1nc[nH]n1 CCC[*:1] CC[C@H](C[*:1])C(=O)NCc1nc[nH]n1
CCCC[C@@H](CC)C(=O)NCc1nc[nH]n1 CCCC[*:1] CC[C@@H](C(=O)NCc1nc[nH]n1)[*:1]
CCCC[C@@H](CC)C(=O)NCc1nc[nH]n1 c1nc(n[nH]1)[*:1] CCCC[C@@H](CC)C(=O)NC[*:1]
Cc1ccc(-c2cnc(CCC(=O)O[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)o2)cc1 Cc1ccc(cc1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@@H](C)OC(=O)CCc1ncc(o1)[*:1]
CCNC(=O)c1cccc(NC(=O)C[NH+](C)CC)c1 CCNC(=O)[*:1] CC[NH+](C)CC(=O)Nc1cccc(c1)[*:1]
COCCn1c2ccccc2n2c(=O)n(CC(=O)N(C)C)nc12 CN(C)C(=O)C[*:1] COCCn1c2ccccc2n2c(=O)n(nc12)[*:1]
COCCn1c2ccccc2n2c(=O)n(CC(=O)N(C)C)nc12 COCC[*:1] CN(C)C(=O)Cn1nc2n(c3ccccc3n2c1=O)[*:1]
COCCn1c2ccccc2n2c(=O)n(CC(=O)N(C)C)nc12 CN(C)C(=O)[*:1] COCCn1c2ccccc2n2c(=O)n(C[*:1])nc12
COCCn1c2ccccc2n2c(=O)n(CC(=O)N(C)C)nc12 COC[*:1] CN(C)C(=O)Cn1nc2n(C[*:1])c3ccccc3n2c1=O
Cc1cscc1C[NH2+][C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] Cc1cscc1C[NH2+][C@H](C)C[*:1]
Cc1cscc1C[NH2+][C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1cscc1C[NH2+][C@H](C)[*:1]
C[C@@H](OC(=O)c1cnc(-c2ccccc2)nc1)c1nccs1 c1csc(n1)[*:1] C[C@@H](OC(=O)c1cnc(nc1)-c1ccccc1)[*:1]
C[C@@H](OC(=O)c1cnc(-c2ccccc2)nc1)c1nccs1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cnc(nc1)[*:1])c1nccs1
Cn1nc(C(C)(C)C)cc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cn1nc(cc1C(=O)NCCc1nc(no1)[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 CC(C)(C)[*:1] Cn1nc(cc1C(=O)NCCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
COC(=O)/C=C/c1ccc[n+]([O-])c1 COC(=O)[*:1] [O-][n+]1cccc(C=C[*:1])c1
C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1cnc([N+](=O)[O-])c1 C[C@H]1CCCC[C@H]1[*:1] O=C(Cn1cnc(c1)[N+](=O)[O-])NCCO[*:1]
C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1cnc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1cnc(c1)[*:1]
CCn1c(CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)nc2ccccc21 C[C@H](C(=O)N1CCCC1)[*:1] CCn1c(CN2CCN(CC2)[*:1])nc2ccccc21
CCn1c(CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)nc2ccccc21 O=C(N1CCCC1)[*:1] CCn1c(CN2CCN(CC2)[C@H](C)[*:1])nc2ccccc21
C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(NC(=O)c2ccncc2)cc1 C1CO[C@@H](C1)C[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)NC(=O)c1ccncc1
C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(NC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(cc1)NC(=O)[*:1]
C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(NC(=O)c2ccncc2)cc1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)NC(=O)c1ccncc1
CC(C)[NH+]1CCCN(C(=O)C(C)(C)c2cccc(C#N)c2)CC1 CC(C)[*:1] CC(C)(C(=O)N1CCC[NH+](CC1)[*:1])c1cccc(C#N)c1
CCOC(C(=O)NN1CCCCC1)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCOC(C(=O)NN1CCCCC1)(c1ccccc1)[*:1]
CCOC(C(=O)NN1CCCCC1)(c1ccccc1)c1ccccc1 CCO[*:1] O=C(NN1CCCCC1)C(c1ccccc1)(c1ccccc1)[*:1]
CC(=O)Nc1cccc(CNC(=O)N[C@H](C)C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] CC(=O)Nc1cccc(c1)CNC(=O)N[C@H](C)C(=O)NC[*:1]
CC(=O)Nc1cccc(CNC(=O)N[C@H](C)C(=O)NCc2ccco2)c1 CC(=O)N[*:1] C[C@@H](NC(=O)NCc1cccc(c1)[*:1])C(=O)NCc1ccco1
CC(=O)Nc1cccc(CNC(=O)N[C@H](C)C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] CC(=O)Nc1cccc(c1)CNC(=O)N[C@H](C)C(=O)N[*:1]
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(cs1)[*:1]
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 c1ccc(cc1)C[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1nc(cs1)-c1cccnc1
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C[*:1])C(=O)Nc1nc(cs1)-c1cccnc1
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 CC(C)[*:1] O=C(Cc1ccccc1)N[C@H](C(=O)Nc1nc(cs1)-c1cccnc1)[*:1]
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccnc1)N(CCCN1CCOCC1)C3=O c1cncc(c1)[*:1] Cc1cc2oc3C(=O)N(CCCN4CCOCC4)[C@@H](c3c(=O)c2cc1Cl)[*:1]
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccnc1)N(CCCN1CCOCC1)C3=O C1CN(CCO1)[*:1] Cc1cc2oc3C(=O)N(CCC[*:1])[C@@H](c4cccnc4)c3c(=O)c2cc1Cl
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccnc1)N(CCCN1CCOCC1)C3=O C1CN(CCO1)C[*:1] Cc1cc2oc3C(=O)N(CC[*:1])[C@@H](c4cccnc4)c3c(=O)c2cc1Cl
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccnc1)N(CCCN1CCOCC1)C3=O C(CN1CCOCC1)C[*:1] Cc1cc2oc3C(=O)N([C@@H](c4cccnc4)c3c(=O)c2cc1Cl)[*:1]
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccnc1)N(CCCN1CCOCC1)C3=O C1CN(CCO1)CC[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@@H](c4cccnc4)c3c(=O)c2cc1Cl
N#CCOc1cccc(CC(=O)N2CCO[C@@H](c3nccs3)C2)c1 c1csc(n1)[*:1] N#CCOc1cccc(c1)CC(=O)N1CCO[C@@H](C1)[*:1]
N#CCOc1cccc(CC(=O)N2CCO[C@@H](c3nccs3)C2)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])N1CCO[C@H](C1)c1nccs1
N#CCOc1cccc(CC(=O)N2CCO[C@@H](c3nccs3)C2)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])N1CCO[C@H](C1)c1nccs1
O=C(NCCNc1ncccn1)[C@@H]1COc2ccccc2O1 c1cnc(nc1)[*:1] O=C(NCCN[*:1])[C@@H]1COc2ccccc2O1
O=C(NCCNc1ncccn1)[C@@H]1COc2ccccc2O1 c1cnc(nc1)N[*:1] O=C(NCC[*:1])[C@@H]1COc2ccccc2O1
COCc1cccc(O[C@@H]2CC[C@](C#N)(NC(C)C)C2)c1 CC(C)N[*:1] COCc1cccc(c1)O[C@@H]1CC[C@](C#N)(C1)[*:1]
COCc1cccc(O[C@@H]2CC[C@](C#N)(NC(C)C)C2)c1 COC[*:1] CC(C)N[C@@]1(C#N)CC[C@H](C1)Oc1cccc(c1)[*:1]
COCc1cccc(O[C@@H]2CC[C@](C#N)(NC(C)C)C2)c1 CC(C)[*:1] COCc1cccc(c1)O[C@@H]1CC[C@@](C#N)(C1)N[*:1]
CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc21 O=C(C[*:1])N1CCCC1 CC1(C)CN(c2ccc(cc21)S(=O)(=O)Nc1ccc2OCCOc2c1)[*:1]
CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc21 O=C(N1CCCC1)[*:1] CC1(C)CN(C[*:1])c2ccc(cc21)S(=O)(=O)Nc1ccc2OCCOc2c1
CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc21 c1cc2OCCOc2cc1[*:1] CC1(C)CN(CC(=O)N2CCCC2)c2ccc(cc21)S(=O)(=O)N[*:1]
CCCSc1ncc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cn1 c1ccc(nc1)[*:1] CCCSc1ncc(cn1)C[NH+]1CCC(CC1)c1cc(=O)[nH]c(n1)[*:1]
CCCSc1ncc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cn1 CCCSc1ncc(cn1)[*:1] O=c1cc(nc([nH]1)-c1ccccn1)C1CC[NH+](CC1)C[*:1]
CCCSc1ncc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cn1 CCC[*:1] O=c1cc(nc([nH]1)-c1ccccn1)C1CC[NH+](CC1)Cc1cnc(nc1)S[*:1]
CCCSc1ncc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cn1 CCCS[*:1] O=c1cc(nc([nH]1)-c1ccccn1)C1CC[NH+](CC1)Cc1cnc(nc1)[*:1]
CCCn1c(C[C@@]2(O)CCC[NH2+]C2)nc2ccccc21 CCC[*:1] O[C@@]1(CCC[NH2+]C1)Cc1nc2ccccc2n1[*:1]
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(c1ccc(cc1)-n1cccn1)N1CCN(CC1)S(=O)(=O)[*:1]
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)cc1 NS(=O)(=O)[*:1] O=C(c1ccc(cc1)-n1cccn1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)cc1 c1cnn(c1)[*:1] NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(NCC[NH2+][C@H]1CCOC2(CCOCC2)C1)[*:1]
CC(=O)c1cc(CC(=O)N2CCN3CCNC(=O)[C@H]3C2)cs1 CC(=O)[*:1] O=C1NCCN2CCN(C[C@H]12)C(=O)Cc1csc(c1)[*:1]
Cc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)CCO2)nc1 Cc1ccc(nc1)[*:1] O=C(c1ccc(Cl)cc1)N1CCO[C@H](C1)[*:1]
Cc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)CCO2)nc1 Clc1ccc(cc1)[*:1] Cc1ccc(nc1)[C@H]1CN(CCO1)C(=O)[*:1]
CCn1cnnc1CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCn1cnnc1CNC(=O)/C=C/c1ccc(cc1)[*:1]
CCn1cnnc1CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 CCn1cnnc1[*:1] CC(C)(C)c1ccc(/C=C/C(=O)NC[*:1])cc1
C[C@@H]1CCc2c(sc3ncn(CC(=O)N[C@H](C)c4ccco4)c(=O)c23)C1 c1coc(c1)[*:1] C[C@@H]1CCc2c(C1)sc1ncn(CC(=O)N[C@H](C)[*:1])c(=O)c21
C[C@@H]1CCc2c(sc3ncn(CC(=O)N[C@H](C)c4ccco4)c(=O)c23)C1 C[C@H](c1ccco1)[*:1] C[C@@H]1CCc2c(C1)sc1ncn(CC(=O)N[*:1])c(=O)c21
C=CCc1cc(CNC(=O)c2ccco2)cc(OC)c1OC C=CC[*:1] COc1cc(cc(c1OC)[*:1])CNC(=O)c1ccco1
C=CCc1cc(CNC(=O)c2ccco2)cc(OC)c1OC c1coc(c1)[*:1] C=CCc1cc(cc(OC)c1OC)CNC(=O)[*:1]
COc1ccccc1CNC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCOCC1 COc1ccccc1C[*:1] Cc1ccccc1-c1cc(CC2(CCOCC2)C(=O)N[*:1])on1
COc1ccccc1CNC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCOCC1 Cc1ccccc1[*:1] COc1ccccc1CNC(=O)C1(CCOCC1)Cc1cc(no1)[*:1]
COc1ccccc1CNC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCOCC1 COc1ccccc1[*:1] Cc1ccccc1-c1cc(CC2(CCOCC2)C(=O)NC[*:1])on1
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)Cc3ccc(F)cc3)c2)NC(=O)N1C Fc1ccc(cc1)C[*:1] CC1=C(C(=O)OC(C)C)[C@@H](NC(=O)N1C)c1cccc(c1)NC(=O)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)Cc3ccc(F)cc3)c2)NC(=O)N1C Fc1ccc(cc1)[*:1] CC1=C(C(=O)OC(C)C)[C@@H](NC(=O)N1C)c1cccc(c1)NC(=O)C[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)Cc3ccc(F)cc3)c2)NC(=O)N1C CC(C)[*:1] CC1=C(C(=O)O[*:1])[C@@H](NC(=O)N1C)c1cccc(c1)NC(=O)Cc1ccc(F)cc1
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)Cc3ccc(F)cc3)c2)NC(=O)N1C CC(C)OC(=O)[*:1] CC1=C([C@@H](NC(=O)N1C)c1cccc(c1)NC(=O)Cc1ccc(F)cc1)[*:1]
CN1CC[C@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C1=O C1CO[C@H](C1)[*:1] CN1CC[C@H](NC(=O)c2cnc(s2)[*:1])C1=O
CN(Cc1ccc(Cl)nc1)C(=O)Nc1cccc2ccccc12 Clc1ccc(cn1)[*:1] CN(C[*:1])C(=O)Nc1cccc2ccccc12
NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 NC(=O)C[*:1] O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](C1)C[*:1]
NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 NC(=O)CC[*:1] O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](C1)[*:1]
NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 Clc1ccccc1[*:1] NC(=O)CC[C@H]1CCCN(C1)S(=O)(=O)[*:1]
NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 NC(=O)[*:1] O=S(=O)(c1ccccc1Cl)N1CCC[C@H](CC[*:1])C1
CO[C@H](CNC(=O)C(=O)c1ccc(C)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@H](CNC(=O)C(=O)c1ccc(C)cc1)[*:1]
CO[C@H](CNC(=O)C(=O)c1ccc(C)cc1)c1cccc(Cl)c1 Cc1ccc(cc1)[*:1] CO[C@H](CNC(=O)C(=O)[*:1])c1cccc(Cl)c1
CC#CCN[C@@H](C)c1ccc(N2CCCC2=O)cc1 CC#C[*:1] C[C@H](NC[*:1])c1ccc(cc1)N1CCCC1=O
CC#CCN[C@@H](C)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CC#CCN[C@@H](C)c1ccc(cc1)[*:1]
CC#CCN[C@@H](C)c1ccc(N2CCCC2=O)cc1 CC#CCN[*:1] C[C@@H](c1ccc(cc1)N1CCCC1=O)[*:1]
CC#CCN[C@@H](C)c1ccc(N2CCCC2=O)cc1 CC#CC[*:1] C[C@H](N[*:1])c1ccc(cc1)N1CCCC1=O
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2sccc2C1 CC(=O)N[*:1] O=C([C@H](Cc1c[nH]c2ccccc12)[*:1])N1CCc2sccc2C1
COC[C@@H](C)NC(=O)Cc1ccc(F)cc1F COC[C@@H](C)[*:1] O=C(Cc1ccc(F)cc1F)N[*:1]
COC[C@@H](C)NC(=O)Cc1ccc(F)cc1F COC[*:1] C[C@@H](NC(=O)Cc1ccc(F)cc1F)[*:1]
C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)o1 CS(=O)(=O)NC[*:1] C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H](C2)[*:1])o1
C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)o1 CS(=O)(=O)N[*:1] C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@@H](C2)C[*:1])o1
C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)o1 C[C@@H]1C[C@@H]1[*:1] CS(=O)(=O)NC[C@H]1CCCN(C1)C(=O)CCc1ccc(o1)[*:1]
CC(C)CCOc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1 CC(C)CCO[*:1] O=C(NNC(=O)c1ccccc1[*:1])c1ccc(Cl)cc1
CC(C)CCOc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1 CC(C)CC[*:1] O=C(NNC(=O)c1ccccc1O[*:1])c1ccc(Cl)cc1
CC(C)CCOc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1 CC(C)C[*:1] O=C(NNC(=O)c1ccccc1OC[*:1])c1ccc(Cl)cc1
CC(C)CCOc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)CCOc1ccccc1C(=O)NNC(=O)[*:1]
CC(C)CCOc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1 CC(C)[*:1] O=C(NNC(=O)c1ccccc1OCC[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)n1nnc2ccccc21 c1ccc(cc1)[*:1] C[C@H](NC(=O)OC[*:1])C(=O)N1CCC[C@@H]1C(=O)n1nnc2ccccc21
C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)n1nnc2ccccc21 c1ccc(cc1)C[*:1] C[C@H](NC(=O)O[*:1])C(=O)N1CCC[C@@H]1C(=O)n1nnc2ccccc21
O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC(=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC(=O)N[*:1]
O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC(=O)NCc1ccco1 c1coc(c1)[*:1] O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC(=O)NC[*:1]
C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)c1nnc2n1CCC2 Clc1ccc(s1)[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])c1nnc2CCCn21
O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(nc1)[*:1]
NC(=O)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-] NC(=O)[*:1] O=C([O-])[C@H](C[*:1])NC(=O)[C@@H]1CCC[NH2+]1
NC(=O)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-] O=C([O-])[*:1] NC(=O)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)[*:1]
NC(=O)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-] NC(=O)C[*:1] O=C(N[C@H](C(=O)[O-])[*:1])[C@@H]1CCC[NH2+]1
Cc1ccn(CCC(=O)N(C)C[C@H]2COc3ccccc3O2)n1 Cc1ccn(n1)[*:1] CN(C[C@H]1COc2ccccc2O1)C(=O)CC[*:1]
Cc1ccn(CCC(=O)N(C)C[C@H]2COc3ccccc3O2)n1 Cc1ccn(C[*:1])n1 CN(C[C@H]1COc2ccccc2O1)C(=O)C[*:1]
O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccc2c1OCCO2 O=[N+]([O-])[*:1] O=C(Nc1ccnn1-c1ccc(cc1)[*:1])c1cccc2OCCOc21
O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1cccc2c1OCCO2 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Nc1ccnn1[*:1])c1cccc2OCCOc21
Cc1[nH]c(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)nc1Cc1ccccc1 C1CCC(CC1)[*:1] Cc1[nH]c(nc1Cc1ccccc1)SCC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1[nH]c(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)nc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(nc1C[*:1])SCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1
Cc1[nH]c(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)nc1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH]c(nc1[*:1])SCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccncc2)c1 CCC[*:1] Cc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2cccc(c2)O[*:1])[C@H]1c1ccncc1
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccncc2)c1 Cc1ccc2nc(sc2c1)[*:1] CCCOc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccncc1)[*:1]
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccncc2)c1 c1cc(ccn1)[*:1] CCCOc1cccc(c1)C(=O)C1=C([O-])C(=O)N(c2nc3ccc(C)cc3s2)[C@H]1[*:1]
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccncc2)c1 CCCOc1cccc(c1)[*:1] Cc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccncc1
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccncc2)c1 CCCO[*:1] Cc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2cccc(c2)[*:1])[C@H]1c1ccncc1
CC1(C)[C@H]2OCCC[C@H]2[C@@H]1OC(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] CC1(C)[C@H]2OCCC[C@H]2[C@@H]1OC(=O)c1ccc(cc1)[*:1]
COc1ccc(-c2nc(CSc3nc4ccccc4[nH]3)n[nH]2)cc1 COc1ccc(cc1)[*:1] c1ccc2[nH]c(nc2c1)SCc1n[nH]c(n1)[*:1]
COc1ccc(C(=O)COC(=O)c2cccc(S(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)C(=O)COC(=O)c1cccc(c1)[*:1]
COc1ccc(C(=O)COC(=O)c2cccc(S(C)(=O)=O)c2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)[*:1]
COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)s2)c1 Cc1ccc(s1)[*:1] COC(=O)c1cccc(c1)NS(=O)(=O)[*:1]
COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)s2)c1 COC(=O)[*:1] Cc1ccc(s1)S(=O)(=O)Nc1cccc(c1)[*:1]
O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(COc1ccccc1C(=O)Nc1ccccc1)N[*:1]
O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Br)cc1 O=C(Nc1ccccc1)[*:1] O=C(COc1ccccc1[*:1])Nc1ccc(Br)cc1
O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(COc1ccccc1C(=O)N[*:1])Nc1ccc(Br)cc1
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)c(C)c1N(C)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] Cc1ccc(c(C)c1[*:1])S(=O)(=O)NCCC(=O)N1CCCC1
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)c(C)c1N(C)S(C)(=O)=O O=C(CC[*:1])N1CCCC1 Cc1ccc(c(C)c1N(C)S(C)(=O)=O)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)c(C)c1N(C)S(C)(=O)=O O=C(N1CCCC1)[*:1] Cc1ccc(c(C)c1N(C)S(C)(=O)=O)S(=O)(=O)NCC[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)c(C)c1N(C)S(C)(=O)=O O=C(C[*:1])N1CCCC1 Cc1ccc(c(C)c1N(C)S(C)(=O)=O)S(=O)(=O)NC[*:1]
O=C(NCCc1nccn1Cc1ccccc1)N[C@@H]1CCC[C@H]1CO c1ccc(cc1)C[*:1] O=C(NCCc1nccn1[*:1])N[C@@H]1CCC[C@H]1CO
O=C(NCCc1nccn1Cc1ccccc1)N[C@@H]1CCC[C@H]1CO c1ccc(cc1)[*:1] O=C(NCCc1nccn1C[*:1])N[C@@H]1CCC[C@H]1CO
CC(C)[C@@H](NC(=O)[C@H]1CCCO1)C(=O)[O-] C1CO[C@H](C1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)[O-]
CC(C)[C@@H](NC(=O)[C@H]1CCCO1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](NC(=O)[C@H]1CCCO1)[*:1]
CC(C)[C@@H](NC(=O)[C@H]1CCCO1)C(=O)[O-] CC(C)[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])[C@H]1CCCO1
Cn1c(=O)c2ccccc2n2c(SCc3ncno3)nnc12 c1noc(CS[*:1])n1 Cn1c(=O)c2ccccc2n2c(nnc12)[*:1]
Cn1c(=O)c2ccccc2n2c(SCc3ncno3)nnc12 c1noc(C[*:1])n1 Cn1c(=O)c2ccccc2n2c(nnc12)S[*:1]
Cn1c(=O)c2ccccc2n2c(SCc3ncno3)nnc12 c1noc(n1)[*:1] Cn1c(=O)c2ccccc2n2c(nnc12)SC[*:1]
CCCc1nnc(NC(=O)NNc2ccccc2Cl)s1 CCC[*:1] O=C(NNc1ccccc1Cl)Nc1nnc(s1)[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C(C)C)nn1CC CC(C)[*:1] CCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(nn1CC)[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C(C)C)nn1CC CCNC(=O)[*:1] CCn1nc(cc1C(=O)Nc1cc(Cl)ccc1[*:1])C(C)C
CCCCNC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 CCCCNC(=O)[*:1] C[C@H]1CCCCN1C(=O)CN1CCN(CC1)[C@H](C)[*:1]
CCCCNC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 CCC[*:1] C[C@H]1CCCCN1C(=O)CN1CCN(CC1)[C@H](C)C(=O)NC[*:1]
CCCCNC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 CCCC[*:1] C[C@H]1CCCCN1C(=O)CN1CCN(CC1)[C@H](C)C(=O)N[*:1]
Cc1nc(C(=O)Nc2ccc(COC(C)(C)C)cc2)ccc1C#N CC(C)(C)O[*:1] Cc1nc(ccc1C#N)C(=O)Nc1ccc(cc1)C[*:1]
Cc1nc(C(=O)Nc2ccc(COC(C)(C)C)cc2)ccc1C#N CC(C)(C)[*:1] Cc1nc(ccc1C#N)C(=O)Nc1ccc(cc1)CO[*:1]
Cc1nc(C(=O)Nc2ccc(COC(C)(C)C)cc2)ccc1C#N CC(C)(C)OC[*:1] Cc1nc(ccc1C#N)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](OCc1ccccc1)C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 C1CC1[*:1] C[C@H](OCc1ccccc1)C(=O)Nc1sc2CCCc2c1C(=O)N[*:1]
C[C@H](OCc1ccccc1)C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 O=C(NC1CC1)[*:1] C[C@H](OCc1ccccc1)C(=O)Nc1sc2CCCc2c1[*:1]
C[C@H](OCc1ccccc1)C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 c1ccc(cc1)C[*:1] C[C@H](O[*:1])C(=O)Nc1sc2CCCc2c1C(=O)NC1CC1
C[C@H](OCc1ccccc1)C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 c1ccc(cc1)CO[*:1] C[C@H](C(=O)Nc1sc2CCCc2c1C(=O)NC1CC1)[*:1]
C[C@H](OCc1ccccc1)C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 c1ccc(cc1)[*:1] C[C@H](OC[*:1])C(=O)Nc1sc2CCCc2c1C(=O)NC1CC1
CCc1ccsc1CNC(=O)C(=O)Nc1cc(F)cc(F)c1 CCc1ccsc1[*:1] O=C(NC[*:1])C(=O)Nc1cc(F)cc(F)c1
COc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2CNC(=O)c2cncs2)C1 COc1ccccc1O[*:1] Cc1ncc2CN(CCc2c1CNC(=O)c1cncs1)C(=O)C[*:1]
COc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2CNC(=O)c2cncs2)C1 O=C(N[*:1])c1cncs1 COc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2C[*:1])C1
COc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2CNC(=O)c2cncs2)C1 O=C(NC[*:1])c1cncs1 COc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2[*:1])C1
COc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2CNC(=O)c2cncs2)C1 c1ncc(s1)[*:1] COc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2CNC(=O)[*:1])C1
COc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2CNC(=O)c2cncs2)C1 COc1ccccc1[*:1] Cc1ncc2CN(CCc2c1CNC(=O)c1cncs1)C(=O)CO[*:1]
COc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2CNC(=O)c2cncs2)C1 COc1ccccc1OC[*:1] Cc1ncc2CN(CCc2c1CNC(=O)c1cncs1)C(=O)[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)CCC(F)(F)F)cc1 COc1ccccc1[*:1] O=C(CCC(F)(F)F)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)CCC(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)CC[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)CCC(F)(F)F)cc1 FC(F)(F)CC[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)CCC(F)(F)F)cc1 FC(F)(F)C[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)C[*:1]
CN(CCOc1cccc(Cl)c1)C(=O)c1ccc2ncsc2c1 Clc1cccc(c1)[*:1] CN(CCO[*:1])C(=O)c1ccc2ncsc2c1
COCCC(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 COC[*:1] O=C(C[*:1])NC[C@@H]1CC[C@H](O1)C(=O)[O-]
COCCC(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 COCC[*:1] O=C([O-])[C@@H]1CC[C@@H](CNC(=O)[*:1])O1
COCCC(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 O=C([O-])[*:1] COCCC(=O)NC[C@@H]1CC[C@@H](O1)[*:1]
Cc1cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)c2ccccc2n1 c1cncc(c1)[*:1] Cc1cc(C(=O)N(Cc2ccccc2C)C[*:1])c2ccccc2n1
Cc1cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)c2ccccc2n1 Cc1ccccc1[*:1] Cc1cc(C(=O)N(Cc2cccnc2)C[*:1])c2ccccc2n1
Cc1cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)c2ccccc2n1 c1cncc(c1)C[*:1] Cc1cc(C(=O)N(Cc2ccccc2C)[*:1])c2ccccc2n1
Cc1cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)c2ccccc2n1 Cc1ccccc1C[*:1] Cc1cc(C(=O)N(Cc2cccnc2)[*:1])c2ccccc2n1
O=C(NCCNc1ncccn1)Nc1ccc2c(c1)Cc1ccccc1-2 c1cnc(nc1)N[*:1] O=C(NCC[*:1])Nc1ccc2c(c1)Cc1ccccc1-2
O=C(NCCNc1ncccn1)Nc1ccc2c(c1)Cc1ccccc1-2 c1cnc(nc1)[*:1] O=C(NCCN[*:1])Nc1ccc2c(c1)Cc1ccccc1-2
O=C(NCCNc1ncccn1)Nc1ccc2c(c1)Cc1ccccc1-2 c1cnc(nc1)NC[*:1] O=C(NC[*:1])Nc1ccc2c(c1)Cc1ccccc1-2
N#CCN1CCN(CC(=O)NC(=O)NC2CCCC2)CC1 N#CC[*:1] O=C(CN1CCN(CC1)[*:1])NC(=O)NC1CCCC1
N#CCN1CCN(CC(=O)NC(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] N#CCN1CCN(CC1)CC(=O)NC(=O)N[*:1]
C[C@H](OC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(C#N)c1 O=C(N[*:1])[C@H]1CCCO1 C[C@H](OC(=O)c1cccc(c1)[*:1])c1cccc(C#N)c1
C[C@H](OC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](OC(=O)c1cccc(c1)NC(=O)[C@H]1CCCO1)[*:1]
C[C@H](OC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(C#N)c1 C1CO[C@H](C1)[*:1] C[C@H](OC(=O)c1cccc(c1)NC(=O)[*:1])c1cccc(C#N)c1
CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(O)cc1 Cc1c(Cl)cccc1[*:1] CCn1c(nnc1-c1ccc(O)cc1)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cccc(Cl)c1C
Cc1c(C(=O)/C=C/c2cnn(C)c2)nnn1-c1ccccc1 Cn1cc(cn1)[*:1] Cc1c(nnn1-c1ccccc1)C(=O)C=C[*:1]
Cc1c(C(=O)/C=C/c2cnn(C)c2)nnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)/C=C/c1cnn(C)c1
O=C(CSc1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1 Clc1ccc(cc1)[*:1] O=C(CS[*:1])N1CCC(CC1)C(F)(F)F
O=C(CSc1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(CSc1ccc(Cl)cc1)N1CCC(CC1)[*:1]
CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccc(C)cc4)c3)nn12 CCc1nnc2sc(nn12)[*:1] COc1ccc(cc1NC(=O)COc1ccc(C)cc1)[*:1]
CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccc(C)cc4)c3)nn12 Cc1ccc(cc1)OC[*:1] CCc1nnc2sc(nn12)-c1ccc(OC)c(c1)NC(=O)[*:1]
CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccc(C)cc4)c3)nn12 Cc1ccc(cc1)O[*:1] CCc1nnc2sc(nn12)-c1ccc(OC)c(c1)NC(=O)C[*:1]
CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccc(C)cc4)c3)nn12 Cc1ccc(cc1)[*:1] CCc1nnc2sc(nn12)-c1ccc(OC)c(c1)NC(=O)CO[*:1]
COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)NC(C)C)c1C COC(=O)[*:1] Cc1c(sc(NC(=O)c2cccc(F)c2)c1[*:1])C(=O)NC(C)C
COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)NC(C)C)c1C CC(C)NC(=O)[*:1] COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(c1C)[*:1]
COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)NC(C)C)c1C CC(C)[*:1] COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)N[*:1])c1C
COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)NC(C)C)c1C Fc1cccc(c1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)NC(C)C)c1C
C[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 O=[N+]([O-])[*:1] C[C@H]1CC[C@@H]([NH2+]Cc2ccc(c(F)c2)[*:1])[C@H](C)C1
C[C@@H](NC(=O)CCS(=O)(=O)[C@H](C)[C@@H](C)O)c1ccccc1 C[C@@H](O)[*:1] C[C@@H](NC(=O)CCS(=O)(=O)[C@H](C)[*:1])c1ccccc1
C[C@@H](NC(=O)CCS(=O)(=O)[C@H](C)[C@@H](C)O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](O)[C@@H](C)S(=O)(=O)CCC(=O)N[C@H](C)[*:1]
C[C@]1(C(N)=O)Oc2ccc(Cl)cc2NC1=O NC(=O)[*:1] C[C@@]1(Oc2ccc(Cl)cc2NC1=O)[*:1]
CC(C)(NC(=O)c1ccc(-n2cccn2)cc1)c1ccc2c(c1)OCO2 c1cnn(c1)[*:1] CC(C)(NC(=O)c1ccc(cc1)[*:1])c1ccc2OCOc2c1
CC(C)Sc1nnc(NC(=O)C(F)(F)F)s1 CC(C)S[*:1] O=C(Nc1nnc(s1)[*:1])C(F)(F)F
CC(C)Sc1nnc(NC(=O)C(F)(F)F)s1 CC(C)[*:1] O=C(Nc1nnc(S[*:1])s1)C(F)(F)F
CC(C)Sc1nnc(NC(=O)C(F)(F)F)s1 FC(F)(F)[*:1] CC(C)Sc1nnc(NC(=O)[*:1])s1
CC(C)(C)c1n[nH]c(C(=O)N2CCO[C@H]3CCC[C@H]32)n1 CC(C)(C)[*:1] O=C(c1nc(n[nH]1)[*:1])N1CCO[C@H]2CCC[C@H]21
CCOc1cc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])NC(=O)[C@@H]1C=C[C@H]([NH3+])C1
CC[C@H]1CCCN(C(=O)c2cc(C)n(-c3nccs3)c2C)C1 c1csc(n1)[*:1] CC[C@H]1CCCN(C1)C(=O)c1cc(C)n(c1C)[*:1]
Brc1cc(CSc2nnc(-c3ccccc3)o2)cs1 Brc1cc(cs1)[*:1] c1ccc(cc1)-c1nnc(o1)SC[*:1]
Brc1cc(CSc2nnc(-c3ccccc3)o2)cs1 c1ccc(cc1)[*:1] Brc1cc(cs1)CSc1nnc(o1)[*:1]
COc1ccccc1N1CCN(C(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)CC1 FC(F)(F)[*:1] COc1ccccc1N1CCN(CC1)C(=O)[C@@H](C)n1ccc(n1)[*:1]
COc1ccccc1N1CCN(C(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)CC1 FC(F)(F)c1ccn(n1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)[C@@H](C)[*:1]
COc1ccccc1N1CCN(C(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)CC1 COc1ccccc1[*:1] C[C@H](C(=O)N1CCN(CC1)[*:1])n1ccc(n1)C(F)(F)F
CC[C@@H](C)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] CC[C@@H](C)CN(C)C(=O)N[C@@H](c1ncon1)[*:1]
CC[C@@H](C)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 CC[C@@H](C)[*:1] CN(C[*:1])C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1
CC[C@@H](C)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 CC[C@@H](C)C[*:1] CN(C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1)[*:1]
CC[C@@H](C)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] CC[C@@H](C)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
COCCNC(=S)N1c2ccccc2C[C@H]1C COCC[*:1] C[C@@H]1Cc2ccccc2N1C(=S)N[*:1]
COCCNC(=S)N1c2ccccc2C[C@H]1C COC[*:1] C[C@@H]1Cc2ccccc2N1C(=S)NC[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ncnn3C)s2)c(C)c1 Cn1ncnc1C[*:1] Cc1ccc(-c2nc(C)c(s2)C(=O)N(C)[*:1])c(C)c1
Cc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ncnn3C)s2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nc(sc1C(=O)N(C)Cc1ncnn1C)[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ncnn3C)s2)c(C)c1 Cn1ncnc1[*:1] Cc1ccc(-c2nc(C)c(s2)C(=O)N(C)C[*:1])c(C)c1
COc1ccc([C@H](O)CN[C@@H](C)c2ccc(F)cc2Cl)cc1OC Fc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1OC)[C@H](O)CN[C@@H](C)[*:1]
Cc1ccc(C)c(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N(Cc1ccc(F)cc1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N(C[*:1])C1CC1
O=C(Nc1ccccc1C(F)(F)F)c1c[nH]c2c(F)cccc2c1=O FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])c1c[nH]c2c(F)cccc2c1=O
COc1ccccc1N1C[C@@H](C(=O)N[C@H](c2ccccc2)c2ccccn2)CC1=O c1ccc(nc1)[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)N[C@H](c1ccccc1)[*:1]
COc1ccccc1N1C[C@@H](C(=O)N[C@H](c2ccccc2)c2ccccn2)CC1=O COc1ccccc1[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1CC(=O)N(C1)[*:1]
COc1ccccc1N1C[C@@H](C(=O)N[C@H](c2ccccc2)c2ccccn2)CC1=O c1ccc(cc1)[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)N[C@H](c1ccccn1)[*:1]
CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCOC[C@H]1[*:1]
CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCOC[C@@H]1C1CC1 c1ccc(cc1)C[*:1] CN(C(=O)CCNC(=O)N1CCOC[C@@H]1C1CC1)[*:1]
CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCOC[C@@H]1C1CC1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCNC(=O)N1CCOC[C@@H]1C1CC1
CC1(C)CC(=O)C(C(=S)Nc2ccccc2)/C(=N/C2CC(C)(C)[NH2+]C(C)(C)C2)C1 S=C(Nc1ccccc1)[*:1] CC1(C)CC(=O)C(/C(C1)=N/C1CC(C)(C)[NH2+]C(C)(C)C1)[*:1]
CC1(C)CC(=O)C(C(=S)Nc2ccccc2)/C(=N/C2CC(C)(C)[NH2+]C(C)(C)C2)C1 c1ccc(cc1)[*:1] CC1(C)CC(=O)C(C(=S)N[*:1])/C(C1)=N/C1CC(C)(C)[NH2+]C(C)(C)C1
CCn1ccc(C(=O)N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)n1 CCn1ccc(n1)[*:1] Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(C1)C(=O)[*:1]
CCn1ccc(C(=O)N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)n1 c1cnn(c1)[*:1] CCn1ccc(n1)C(=O)N1CCC[C@@H](C1)c1nnc(C[*:1])n1C
CCn1ccc(C(=O)N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)n1 c1cnn(c1)C[*:1] CCn1ccc(n1)C(=O)N1CCC[C@@H](C1)c1nnc(n1C)[*:1]
Cc1cnc(S(=O)(=O)CCc2scnc2C)nc1 Cc1ncsc1[*:1] Cc1cnc(nc1)S(=O)(=O)CC[*:1]
Nc1ccc(-c2nnc(SCC(=O)c3ccc([C@H]4CC4(Cl)Cl)cc3)o2)cc1 Nc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])c1ccc(cc1)[C@H]1CC1(Cl)Cl
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cnn(-c3ccccc3C)c2)C1 CCNS(=O)(=O)[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N1CC[C@@H](C1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cnn(-c3ccccc3C)c2)C1 Cc1ccccc1[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)c1cnn(c1)[*:1]
COc1ccc(CC(=O)Nc2nnc(-c3ccccc3OC)o2)cc1C COc1ccccc1[*:1] COc1ccc(cc1C)CC(=O)Nc1nnc(o1)[*:1]
Cc1ccc(CN(C(=O)N[C@H](C)c2nnc3ccccn23)C2CC2)cc1C Cc1ccc(cc1C)C[*:1] C[C@@H](NC(=O)N(C1CC1)[*:1])c1nnc2ccccn12
Cc1ccc(CN(C(=O)N[C@H](C)c2nnc3ccccn23)C2CC2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)N(C[*:1])C1CC1)c1nnc2ccccn12
Cc1ccc(CN(C(=O)N[C@H](C)c2nnc3ccccn23)C2CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)CN(C(=O)N[C@H](C)c1nnc2ccccn12)[*:1]
Cc1ccc(CN(C(=O)N[C@H](C)c2nnc3ccccn23)C2CC2)cc1C c1ccn2c(nnc2c1)[*:1] Cc1ccc(cc1C)CN(C(=O)N[C@H](C)[*:1])C1CC1
CC[C@H](NC(=O)NCCNC(C)=O)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)NCCNC(C)=O)[*:1]
CC[C@H](NC(=O)NCCNC(C)=O)c1cccs1 CC(=O)N[*:1] CC[C@H](NC(=O)NCC[*:1])c1cccs1
CC[C@H](NC(=O)NCCNC(C)=O)c1cccs1 CC(=O)NCC[*:1] CC[C@H](NC(=O)N[*:1])c1cccs1
CC[C@H](NC(=O)NCCNC(C)=O)c1cccs1 CC(=O)NC[*:1] CC[C@H](NC(=O)NC[*:1])c1cccs1
COc1ccc2c(c1)c(CC(=O)Nc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc2c(c1)c(CC(=O)Nc1ccccn1)c(C)n2C(=O)[*:1]
COc1ccc2c(c1)c(CC(=O)Nc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1 O=C(C[*:1])Nc1ccccn1 COc1ccc2c(c1)c(c(C)n2C(=O)c1ccc(Cl)cc1)[*:1]
COc1ccc2c(c1)c(CC(=O)Nc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1 c1ccc(nc1)[*:1] COc1ccc2c(c1)c(CC(=O)N[*:1])c(C)n2C(=O)c1ccc(Cl)cc1
COc1ccc2c(c1)c(CC(=O)Nc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1 O=C(Nc1ccccn1)[*:1] COc1ccc2c(c1)c(C[*:1])c(C)n2C(=O)c1ccc(Cl)cc1
CCNc1ccc(S(N)(=O)=O)c(N)c1 NS(=O)(=O)[*:1] CCNc1ccc(c(N)c1)[*:1]
CCNc1ccc(S(N)(=O)=O)c(N)c1 CCN[*:1] Nc1cc(ccc1S(N)(=O)=O)[*:1]
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@]1(C)CC1(Cl)Cl c1ccc(cc1)C[*:1] CN(C)C(=O)[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)[*:1]
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@]1(C)CC1(Cl)Cl c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](C[*:1])NC(=O)[C@@]1(C)CC1(Cl)Cl
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@]1(C)CC1(Cl)Cl CN(C)C(=O)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)N[C@H](Cc1ccccc1)[*:1]
CCS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)c1ccccn1 CCS(=O)(=O)C[*:1] O=C(NC[*:1])N[C@H](c1ccccc1)c1ccccn1
CCS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)c1ccccn1 CCS(=O)(=O)[*:1] O=C(NCC[*:1])N[C@H](c1ccccc1)c1ccccn1
CCS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)c1ccccn1 CCS(=O)(=O)CC[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)N[*:1]
CCS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] CCS(=O)(=O)CCNC(=O)N[C@H](c1ccccn1)[*:1]
CCS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] CCS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)c1cn(CC2CCCCC2)nn1 C1CCC(CC1)[*:1] C[C@@H](c1ccco1)N(C)C(=O)c1cn(C[*:1])nn1
C[C@@H](c1ccco1)N(C)C(=O)c1cn(CC2CCCCC2)nn1 C1CCC(CC1)C[*:1] C[C@@H](c1ccco1)N(C)C(=O)c1cn(nn1)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)c1cn(CC2CCCCC2)nn1 c1coc(c1)[*:1] C[C@@H](N(C)C(=O)c1cn(CC2CCCCC2)nn1)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)c1cn(CC2CCCCC2)nn1 C[C@@H](c1ccco1)[*:1] CN(C(=O)c1cn(CC2CCCCC2)nn1)[*:1]
CCC[C@H](C)N(C)S(=O)(=O)c1ccc(CC(=O)[O-])s1 O=C([O-])[*:1] CCC[C@H](C)N(C)S(=O)(=O)c1ccc(C[*:1])s1
CCC[C@H](C)N(C)S(=O)(=O)c1ccc(CC(=O)[O-])s1 CCC[*:1] C[C@H](N(C)S(=O)(=O)c1ccc(CC(=O)[O-])s1)[*:1]
CCC[C@H](C)N(C)S(=O)(=O)c1ccc(CC(=O)[O-])s1 O=C([O-])C[*:1] CCC[C@H](C)N(C)S(=O)(=O)c1ccc(s1)[*:1]
CCC[C@H](C)N(C)S(=O)(=O)c1ccc(CC(=O)[O-])s1 CCC[C@H](C)[*:1] CN(S(=O)(=O)c1ccc(CC(=O)[O-])s1)[*:1]
COC(=O)c1ccc(NC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 COC(=O)[*:1] O=c1cccc2[C@H]3C[C@H](CN(C3)C(=S)Nc3ccc(cc3)[*:1])Cn21
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@@H](CO)C1 C1CO[C@H](C1)C[*:1] O=C(Nc1cccc(c1)O[*:1])N1CCC[C@@H](CO)C1
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@@H](CO)C1 C1CO[C@H](C1)CO[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@@H](CO)C1
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@@H](CO)C1 C1CO[C@H](C1)[*:1] O=C(Nc1cccc(c1)OC[*:1])N1CCC[C@@H](CO)C1
O=C(NC(=S)NCc1ccco1)C1CC1 c1coc(c1)[*:1] O=C(NC(=S)NC[*:1])C1CC1
O=C(NC(=S)NCc1ccco1)C1CC1 C1CC1[*:1] O=C(NC(=S)NCc1ccco1)[*:1]
N#Cc1ccc(OCCNC(=O)c2scnc2C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)OCCNC(=O)c1scnc1[*:1]
N#CCN1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 N#Cc1ccccc1[*:1] N#CCN1CCN(CC1)Cc1cccc(c1)OC[*:1]
N#CCN1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 N#CC[*:1] N#Cc1ccccc1COc1cccc(c1)CN1CCN(CC1)[*:1]
Cc1cccc(Nc2ccccc2C(=O)NNC(=O)C(=O)NC(C)C)c1C Cc1cccc(c1C)[*:1] CC(C)NC(=O)C(=O)NNC(=O)c1ccccc1N[*:1]
Cc1cccc(Nc2ccccc2C(=O)NNC(=O)C(=O)NC(C)C)c1C CC(C)[*:1] Cc1cccc(Nc2ccccc2C(=O)NNC(=O)C(=O)N[*:1])c1C
Cc1cccc(Nc2ccccc2C(=O)NNC(=O)C(=O)NC(C)C)c1C Cc1cccc(N[*:1])c1C CC(C)NC(=O)C(=O)NNC(=O)c1ccccc1[*:1]
Cc1cccc(NC(=O)NCCNC(=O)c2ccc(F)cc2)c1Cl Cc1cccc(c1Cl)[*:1] O=C(NCCNC(=O)c1ccc(F)cc1)N[*:1]
Cc1cccc(NC(=O)NCCNC(=O)c2ccc(F)cc2)c1Cl Fc1ccc(cc1)[*:1] Cc1cccc(NC(=O)NCCNC(=O)[*:1])c1Cl
CS(=O)(=O)CCCOc1ccc(-n2cncn2)cc1 CS(=O)(=O)CC[*:1] c1ncn(n1)-c1ccc(cc1)OC[*:1]
CS(=O)(=O)CCCOc1ccc(-n2cncn2)cc1 CS(=O)(=O)C[*:1] c1ncn(n1)-c1ccc(cc1)OCC[*:1]
CS(=O)(=O)CCCOc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CS(=O)(=O)CCCOc1ccc(cc1)[*:1]
CS(=O)(=O)CCCOc1ccc(-n2cncn2)cc1 CS(=O)(=O)[*:1] c1ncn(n1)-c1ccc(cc1)OCCC[*:1]
Cc1nn2c(C)c(C(=O)/C=C/c3ccccc3)nnc2c1-c1ccccc1 C(=C[*:1])c1ccccc1 Cc1nn2c(C)c(nnc2c1-c1ccccc1)C(=O)[*:1]
Cc1nn2c(C)c(C(=O)/C=C/c3ccccc3)nnc2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn2c(C)c(nnc2c1[*:1])C(=O)/C=C/c1ccccc1
Cc1nn2c(C)c(C(=O)/C=C/c3ccccc3)nnc2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn2c(C)c(nnc2c1-c1ccccc1)C(=O)C=C[*:1]
CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CCN(C)C(=O)C2)cc1 CC(C)O[*:1] C[C@H](CCc1ccc(cc1)[*:1])NC(=O)[C@@H]1CCN(C)C(=O)C1
CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CCN(C)C(=O)C2)cc1 CN1CC[C@H](CC1=O)[*:1] CC(C)Oc1ccc(cc1)CC[C@@H](C)NC(=O)[*:1]
CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CCN(C)C(=O)C2)cc1 CC(C)[*:1] C[C@H](CCc1ccc(cc1)O[*:1])NC(=O)[C@@H]1CCN(C)C(=O)C1
Cn1ncnc1CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 Cn1ncnc1[*:1] O=C(NC[*:1])N1CCC[C@@H]1c1ccc2OCOc2c1
Cn1ncnc1CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 Cn1ncnc1C[*:1] O=C(N[*:1])N1CCC[C@@H]1c1ccc2OCOc2c1
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@H](SCC(=O)c4ccc5c(c4)OCO5)N3N2)cc1 c1cc2OCOc2cc1[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@H](SCC(=O)[*:1])N2N1
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@H](SCC(=O)c4ccc5c(c4)OCO5)N3N2)cc1 CCc1ccc(cc1)[*:1] O=C(CS[C@H]1N=NC(=O)[C@H]2C=C(NN12)[*:1])c1ccc2OCOc2c1
O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCc2cc(F)ccc2C1 Fc1ccc(F)c(c1)[*:1] O=C([C@@H]1C[C@H]1[*:1])N1CCc2cc(F)ccc2C1
CC(C)C[C@@H](C(=O)N[C@H]1CC(=O)N(C2CC2)C1)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@@H](C(=O)N[C@H]1CC(=O)N(C1)C1CC1)[*:1]
CC(C)C[C@@H](C(=O)N[C@H]1CC(=O)N(C2CC2)C1)N1CCCCC1=O C1CC1[*:1] CC(C)C[C@@H](C(=O)N[C@H]1CC(=O)N(C1)[*:1])N1CCCCC1=O
CC(C)C[C@@H](C(=O)N[C@H]1CC(=O)N(C2CC2)C1)N1CCCCC1=O CC(C)[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)[C@H](C[*:1])N1CCCCC1=O
CC(C)C[C@@H](C(=O)N[C@H]1CC(=O)N(C2CC2)C1)N1CCCCC1=O CC(C)C[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)[C@@H](N1CCCCC1=O)[*:1]
O=C(N/N=C/c1ccco1)C(=O)Nc1nnc(-c2ccccc2)s1 c1coc(c1)[*:1] O=C(NN=C[*:1])C(=O)Nc1nnc(s1)-c1ccccc1
O=C(N/N=C/c1ccco1)C(=O)Nc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(N/N=C/c1ccco1)C(=O)Nc1nnc(s1)[*:1]
CCN(C(=O)c1cnc([C@H]2CCCO2)s1)c1ccncc1 C1CO[C@H](C1)[*:1] CCN(C(=O)c1cnc(s1)[*:1])c1ccncc1
CCN(C(=O)c1cnc([C@H]2CCCO2)s1)c1ccncc1 c1cc(ccn1)[*:1] CCN(C(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
CCc1ccc(CCNC(=O)C(=O)Nc2cccc(SC)c2)cc1 CSc1cccc(c1)[*:1] CCc1ccc(cc1)CCNC(=O)C(=O)N[*:1]
CCc1ccc(CCNC(=O)C(=O)Nc2cccc(SC)c2)cc1 CCc1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)C(=O)NCC[*:1]
C=CCNC(=O)NNC(=O)Cc1ccc(Cl)cc1 C=CC[*:1] O=C(Cc1ccc(Cl)cc1)NNC(=O)N[*:1]
O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cccnc1 ClC(Cl)(Cl)[*:1] O=C(N[C@H](N1CCOCC1)[*:1])c1cccnc1
O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cccnc1 C1CN(CCO1)[*:1] O=C(N[C@H](C(Cl)(Cl)Cl)[*:1])c1cccnc1
O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cccnc1 c1cncc(c1)[*:1] O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)[*:1]
CCCCCc1nnc(NC(=O)Nc2cn(C)nc2CC)s1 CCCC[*:1] CCc1nn(C)cc1NC(=O)Nc1nnc(C[*:1])s1
CCCCCc1nnc(NC(=O)Nc2cn(C)nc2CC)s1 CCCCC[*:1] CCc1nn(C)cc1NC(=O)Nc1nnc(s1)[*:1]
CCCCCc1nnc(NC(=O)Nc2cn(C)nc2CC)s1 CCC[*:1] CCc1nn(C)cc1NC(=O)Nc1nnc(CC[*:1])s1
NC(=O)[C@H]1C[NH2+]CCN1c1nc2c(Br)cccn2n1 NC(=O)[*:1] Brc1cccn2nc(nc12)N1CC[NH2+]C[C@@H]1[*:1]
COCCCNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 c1ccc(cc1)[*:1] COCCCNc1nc(nc2nc(oc12)[*:1])-c1ccccc1
COCCCNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 COC[*:1] c1ccc(cc1)-c1nc(NCC[*:1])c2oc(nc2n1)-c1ccccc1
COCCCNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 COCC[*:1] c1ccc(cc1)-c1nc(NC[*:1])c2oc(nc2n1)-c1ccccc1
COCCCNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 COCCCN[*:1] c1ccc(cc1)-c1nc(c2oc(nc2n1)-c1ccccc1)[*:1]
COCCCNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 c1ccc(cc1)[*:1] COCCCNc1nc(nc2nc(oc12)-c1ccccc1)[*:1]
COCCCNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 COCCC[*:1] c1ccc(cc1)-c1nc(N[*:1])c2oc(nc2n1)-c1ccccc1
Cc1ccccc1-c1noc(CN2CCN(C(=O)C3CC3)CC2)n1 Cc1ccccc1[*:1] O=C(C1CC1)N1CCN(CC1)Cc1nc(no1)[*:1]
Cc1ccccc1-c1noc(CN2CCN(C(=O)C3CC3)CC2)n1 C1CC1[*:1] Cc1ccccc1-c1noc(CN2CCN(CC2)C(=O)[*:1])n1
Cc1cccc(C(=O)N2CCC(Oc3cccnc3)CC2)c1 c1cncc(c1)O[*:1] Cc1cccc(c1)C(=O)N1CCC(CC1)[*:1]
Cc1cccc(C(=O)N2CCC(Oc3cccnc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(N1CCC(CC1)Oc1cccnc1)[*:1]
Cc1cccc(C(=O)N2CCC(Oc3cccnc3)CC2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)C(=O)N1CCC(CC1)O[*:1]
O=C(N/C=C\c1ccco1)OCc1ccc(Cl)cc1Cl c1coc(c1)[*:1] O=C(NC=C[*:1])OCc1ccc(Cl)cc1Cl
COc1ccc(Cl)cc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1C OCc1ccc(o1)[*:1] COc1ccc(Cl)cc1C(=O)Nc1cc(ccc1C)[*:1]
COc1cc(NC(=O)c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc(OC)c1 C1CCN(C1)[*:1] COc1cc(cc(c1)OC)NC(=O)c1cccc(c1)-c1ccc(nn1)[*:1]
COc1cc(NC(=O)c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc(OC)c1 COc1cc(cc(c1)[*:1])OC O=C(N[*:1])c1cccc(c1)-c1ccc(nn1)N1CCCC1
CCCc1nc(C(=O)N(CC(N)=O)C2CCCC2)n[nH]1 NC(=O)C[*:1] CCCc1nc(n[nH]1)C(=O)N(C1CCCC1)[*:1]
CCCc1nc(C(=O)N(CC(N)=O)C2CCCC2)n[nH]1 NC(=O)[*:1] CCCc1nc(n[nH]1)C(=O)N(C[*:1])C1CCCC1
CCCc1nc(C(=O)N(CC(N)=O)C2CCCC2)n[nH]1 CCC[*:1] NC(=O)CN(C(=O)c1n[nH]c(n1)[*:1])C1CCCC1
CCCc1nc(C(=O)N(CC(N)=O)C2CCCC2)n[nH]1 C1CCC(C1)[*:1] CCCc1nc(n[nH]1)C(=O)N(CC(N)=O)[*:1]
COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc(Cl)c1OC(C)C CC(C)[*:1] COc1cc(cc(Cl)c1O[*:1])C(=O)N1CCC[C@H](C1)c1nc2ccccc2[nH]1
COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc(Cl)c1OC(C)C CC(C)O[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)N1CCC[C@H](C1)c1nc2ccccc2[nH]1
COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc(Cl)c1OC(C)C c1ccc2[nH]c(nc2c1)[*:1] COc1cc(cc(Cl)c1OC(C)C)C(=O)N1CCC[C@@H](C1)[*:1]
Clc1ccc([C@H](Cc2ccccn2)[NH2+]C[C@H]2C[NH+]3CCN2CC3)cc1 c1ccc(C[*:1])nc1 Clc1ccc(cc1)[C@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)[*:1]
Clc1ccc([C@H](Cc2ccccn2)[NH2+]C[C@H]2C[NH+]3CCN2CC3)cc1 Clc1ccc(cc1)[*:1] c1ccc(C[C@H]([NH2+]C[C@H]2C[NH+]3CCN2CC3)[*:1])nc1
Clc1ccc([C@H](Cc2ccccn2)[NH2+]C[C@H]2C[NH+]3CCN2CC3)cc1 c1ccc(nc1)[*:1] Clc1ccc(cc1)[C@H](C[*:1])[NH2+]C[C@H]1C[NH+]2CCN1CC2
c1ccc(-c2cc(N3C[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3)c3ccccc3[nH+]2)cc1 c1ccc(cc1)[*:1] c1ccc2c(cc([nH+]c2c1)[*:1])N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1
C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)NCC1(CCCCC1)[NH+](C)C)[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(C)(C)C(=O)NN CC(C)[*:1] C[C@H]1CC[C@H]([C@@H](C1)OCC(C)(C)C(=O)NN)[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(C)(C)C(=O)NN NNC(=O)[*:1] CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(C)(C)[*:1]
CCc1cc(NC(=O)c2cnn(C(C)C)c2C(F)(F)F)[nH]n1 FC(F)(F)[*:1] CCc1cc(NC(=O)c2cnn(c2[*:1])C(C)C)[nH]n1
CCc1cc(NC(=O)c2cnn(C(C)C)c2C(F)(F)F)[nH]n1 CCc1cc([nH]n1)[*:1] CC(C)n1ncc(C(=O)N[*:1])c1C(F)(F)F
CCc1cc(NC(=O)c2cnn(C(C)C)c2C(F)(F)F)[nH]n1 CC(C)[*:1] CCc1cc(NC(=O)c2cnn(c2C(F)(F)F)[*:1])[nH]n1
CCN[C@@H](c1cccc(C)c1)[C@H]1CN(C)CCO1 CCN[*:1] Cc1cccc(c1)[C@@H]([C@H]1CN(C)CCO1)[*:1]
O=C(NC[C@@H]1CCOC1)c1csc(-c2ccco2)n1 c1coc(c1)[*:1] O=C(NC[C@@H]1CCOC1)c1csc(n1)[*:1]
O=C(NC[C@@H]1CCOC1)c1csc(-c2ccco2)n1 C1C[C@H](CO1)[*:1] O=C(NC[*:1])c1csc(n1)-c1ccco1
O=C(NC[C@@H]1CCOC1)c1csc(-c2ccco2)n1 C1C[C@H](CO1)C[*:1] O=C(N[*:1])c1csc(n1)-c1ccco1
O=C(CCC1CCOCC1)NCCc1ccc[nH]1 C1CC(CCO1)[*:1] O=C(CC[*:1])NCCc1ccc[nH]1
O=C(CCC1CCOCC1)NCCc1ccc[nH]1 c1c[nH]c(c1)C[*:1] O=C(CCC1CCOCC1)NC[*:1]
O=C(CCC1CCOCC1)NCCc1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(CCC1CCOCC1)NCC[*:1]
CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)c1ccc(C)cc1 CC(C)[*:1] CC[C@H](NC(=O)c1cccc(c1)S(=O)(=O)N[*:1])c1ccc(C)cc1
CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1cccc(c1)S(=O)(=O)NC(C)C)[*:1]
CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)c1ccc(C)cc1 CC(C)NS(=O)(=O)[*:1] CC[C@H](NC(=O)c1cccc(c1)[*:1])c1ccc(C)cc1
CC[C@@H](Sc1nncn1C)C(=O)Nc1nnc(C(C)C)s1 CC(C)[*:1] CC[C@@H](Sc1nncn1C)C(=O)Nc1nnc(s1)[*:1]
CC[C@@H](Sc1nncn1C)C(=O)Nc1nnc(C(C)C)s1 Cn1cnnc1[*:1] CC[C@@H](S[*:1])C(=O)Nc1nnc(s1)C(C)C
CC[C@@H](Sc1nncn1C)C(=O)Nc1nnc(C(C)C)s1 Cn1cnnc1S[*:1] CC[C@@H](C(=O)Nc1nnc(s1)C(C)C)[*:1]
CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccco1)C2=O CCC[*:1] O=C(CN1C(=O)NC2(CC[NH+](CC2)[*:1])C1=O)NCc1ccco1
CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccco1)C2=O c1coc(c1)[*:1] CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)NC[*:1])C2=O
CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccco1)C2=O c1coc(c1)C[*:1] CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)N[*:1])C2=O
CCOc1ccc(-c2nc3ncccn3c2NCc2ccc(Cl)cc2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])-c1nc2ncccn2c1NCc1ccc(Cl)cc1
CCOc1ccc(-c2nc3ncccn3c2NCc2ccc(Cl)cc2)cc1OC Clc1ccc(cc1)C[*:1] CCOc1ccc(cc1OC)-c1nc2ncccn2c1N[*:1]
CCOc1ccc(-c2nc3ncccn3c2NCc2ccc(Cl)cc2)cc1OC Clc1ccc(cc1)CN[*:1] CCOc1ccc(cc1OC)-c1nc2ncccn2c1[*:1]
CCOc1ccc(-c2nc3ncccn3c2NCc2ccc(Cl)cc2)cc1OC Clc1ccc(cc1)[*:1] CCOc1ccc(cc1OC)-c1nc2ncccn2c1NC[*:1]
Cc1cccc(C)c1OCCC(=O)N[C@@H](C)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] Cc1cccc(C)c1OCCC(=O)N[C@@H](C)[*:1]
Cc1cccc(C)c1OCCC(=O)N[C@@H](C)c1cccc(C#N)c1 Cc1cccc(C)c1[*:1] C[C@H](NC(=O)CCO[*:1])c1cccc(C#N)c1
O=C([O-])c1ccc(CNC(=O)c2cnns2)o1 c1nnsc1[*:1] O=C([O-])c1ccc(CNC(=O)[*:1])o1
O=C([O-])c1ccc(CNC(=O)c2cnns2)o1 O=C([O-])[*:1] O=C(NCc1ccc(o1)[*:1])c1cnns1
Cc1[nH]ccc1C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1[nH]ccc1C(=O)NCc1ccnc(c1)O[*:1]
Cc1[nH]ccc1C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1[nH]ccc1C(=O)NCc1ccnc(c1)[*:1]
Cc1[nH]ccc1C(=O)NCc1ccnc(OC(C)(C)C)c1 Cc1[nH]ccc1[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)[*:1]
C[C@H](Cc1ccccc1)[NH+]1Cc2ccccc2C1 c1ccc(cc1)[*:1] C[C@H](C[*:1])[NH+]1Cc2ccccc2C1
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CO[*:1]
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 NS(=O)(=O)[*:1] O=C(COc1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1c(C(N)=O)oc2ccccc12 CC[C@H](C)[*:1] NC(=O)c1oc2ccccc2c1NC(=O)C(=O)N[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1c(C(N)=O)oc2ccccc12 NC(=O)[*:1] CC[C@H](C)NC(=O)C(=O)Nc1c(oc2ccccc12)[*:1]
Cc1nn2c(nnc3c(=O)n(CCCN4CCOCC4)ccc32)c1-c1ccc(Cl)cc1 C1CN(CCO1)CC[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)C[*:1])c1-c1ccc(Cl)cc1
Cc1nn2c(nnc3c(=O)n(CCCN4CCOCC4)ccc32)c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)CCCN2CCOCC2)c1[*:1]
Cc1nn2c(nnc3c(=O)n(CCCN4CCOCC4)ccc32)c1-c1ccc(Cl)cc1 C(CN1CCOCC1)C[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)[*:1])c1-c1ccc(Cl)cc1
Cc1nn2c(nnc3c(=O)n(CCCN4CCOCC4)ccc32)c1-c1ccc(Cl)cc1 C1CN(CCO1)[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)CCC[*:1])c1-c1ccc(Cl)cc1
Cc1nn2c(nnc3c(=O)n(CCCN4CCOCC4)ccc32)c1-c1ccc(Cl)cc1 C1CN(CCO1)C[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)CC[*:1])c1-c1ccc(Cl)cc1
Cc1ccc(-c2csc3[nH]c(=S)n(C[C@H]4CCCO4)c(=O)c23)cc1 C1CO[C@H](C1)C[*:1] Cc1ccc(cc1)-c1csc2[nH]c(=S)n(c(=O)c12)[*:1]
Cc1ccc(-c2csc3[nH]c(=S)n(C[C@H]4CCCO4)c(=O)c23)cc1 Cc1ccc(cc1)[*:1] O=c1c2c(csc2[nH]c(=S)n1C[C@H]1CCCO1)[*:1]
Cc1ccc(-c2csc3[nH]c(=S)n(C[C@H]4CCCO4)c(=O)c23)cc1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1)-c1csc2[nH]c(=S)n(C[*:1])c(=O)c12
Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@@H](C)[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 C[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@@H](C)c1ccccc1
Nc1c(F)ccc([N-]S(=O)(=O)CC2CC2)c1F C1CC1[*:1] Nc1c(F)ccc([N-]S(=O)(=O)C[*:1])c1F
Nc1c(F)ccc([N-]S(=O)(=O)CC2CC2)c1F C1CC1C[*:1] Nc1c(F)ccc([N-]S(=O)(=O)[*:1])c1F
C[C@H]1[C@@H](C)N(C(=O)CSCc2ccc(Cl)cc2)CC[S@@]1=O Clc1ccc(cc1)[*:1] C[C@H]1[C@@H](C)N(CC[S@@]1=O)C(=O)CSC[*:1]
Cc1sc(Br)cc1S(=O)(=O)NCC(C1CC1)C1CC1 C1CC1[*:1] Cc1sc(Br)cc1S(=O)(=O)NCC(C1CC1)[*:1]
CCc1cccc(NC(=O)C(=O)N(C)Cc2ncnn2C)c1 Cn1ncnc1[*:1] CCc1cccc(c1)NC(=O)C(=O)N(C)C[*:1]
CCc1cccc(NC(=O)C(=O)N(C)Cc2ncnn2C)c1 Cn1ncnc1C[*:1] CCc1cccc(c1)NC(=O)C(=O)N(C)[*:1]
CC(=O)Nc1cccc(-n2nnnc2SCCOc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] CC(=O)Nc1cccc(c1)-n1nnnc1SCCO[*:1]
CC(=O)Nc1cccc(-n2nnnc2SCCOc2cccc(C)c2)c1 Cc1cccc(c1)O[*:1] CC(=O)Nc1cccc(c1)-n1nnnc1SCC[*:1]
CC(=O)Nc1cccc(-n2nnnc2SCCOc2cccc(C)c2)c1 CC(=O)N[*:1] Cc1cccc(c1)OCCSc1nnnn1-c1cccc(c1)[*:1]
CC(C)Cc1nnc(NC(=O)c2cn(C)nc2C(C)(C)C)s1 CC(C)C[*:1] Cn1cc(C(=O)Nc2nnc(s2)[*:1])c(n1)C(C)(C)C
CC(C)Cc1nnc(NC(=O)c2cn(C)nc2C(C)(C)C)s1 CC(C)[*:1] Cn1cc(C(=O)Nc2nnc(C[*:1])s2)c(n1)C(C)(C)C
CC(C)Cc1nnc(NC(=O)c2cn(C)nc2C(C)(C)C)s1 CC(C)(C)[*:1] CC(C)Cc1nnc(NC(=O)c2cn(C)nc2[*:1])s1
C[C@@H](COc1ccccc1)OC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] C[C@@H](COc1ccccc1)OC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@@H](COc1ccccc1)OC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 c1ccc(cc1)OC[*:1] C[C@@H](OC(=O)[C@H]1CCCN(C1)C(=O)c1cccs1)[*:1]
C[C@@H](COc1ccccc1)OC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 c1ccc(cc1)[*:1] C[C@@H](CO[*:1])OC(=O)[C@H]1CCCN(C1)C(=O)c1cccs1
C[C@@H](COc1ccccc1)OC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 c1ccc(cc1)O[*:1] C[C@@H](C[*:1])OC(=O)[C@H]1CCCN(C1)C(=O)c1cccs1
COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)c2ccccc2)C3=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] C[C@@H](c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)c2ccccc2)C3=O)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)[C@@H](C)[*:1])c(c1)OC
CCOC(=O)c1nc(-c2cc([N+](=O)[O-])ccc2OC)n[n-]1 CCOC(=O)[*:1] COc1ccc(cc1-c1n[n-]c(n1)[*:1])[N+](=O)[O-]
CCOC(=O)c1nc(-c2cc([N+](=O)[O-])ccc2OC)n[n-]1 O=[N+]([O-])[*:1] CCOC(=O)c1nc(n[n-]1)-c1cc(ccc1OC)[*:1]
NC(=O)c1nc(-c2cc(Br)ccc2F)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2[*:1])-c1cc(Br)ccc1F
NC(=O)c1nc(-c2cc(Br)ccc2F)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 Fc1ccc(Br)cc1[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2-c1ccc(F)cc1)[*:1]
NC(=O)c1nc(-c2cc(Br)ccc2F)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 NC(=O)[*:1] O=c1[nH]c2c(nc(nc2n1-c1ccc(F)cc1)-c1cc(Br)ccc1F)[*:1]
CNS(=O)(=O)c1cccc(CNC(=O)c2cc(C)n(C3CC3)c2C)c1 C1CC1[*:1] CNS(=O)(=O)c1cccc(c1)CNC(=O)c1cc(C)n(c1C)[*:1]
CNS(=O)(=O)c1cccc(CNC(=O)c2cc(C)n(C3CC3)c2C)c1 CNS(=O)(=O)[*:1] Cc1cc(C(=O)NCc2cccc(c2)[*:1])c(C)n1C1CC1
CC(=O)Nc1c(C)nn([C@H](C)C(=O)[O-])c1C O=C([O-])[*:1] CC(=O)Nc1c(C)nn(c1C)[C@H](C)[*:1]
CC(=O)Nc1c(C)nn([C@H](C)C(=O)[O-])c1C CC(=O)N[*:1] Cc1nn(c(C)c1[*:1])[C@H](C)C(=O)[O-]
CC(=O)Nc1c(C)nn([C@H](C)C(=O)[O-])c1C C[C@H](C(=O)[O-])[*:1] CC(=O)Nc1c(C)nn(c1C)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)NC2(C)Cc3ccccc3C2)cc1 CCS(=O)(=O)[*:1] CC1(Cc2ccccc2C1)NC(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2C)Nc1ccccc1 CC(C)[*:1] CN1C(=O)CCc2cc(ccc21)C(=O)NC[C@H](Nc1ccccc1)[*:1]
CC(C)[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2C)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2C)N[*:1]
CC(C)[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2C)Nc1ccccc1 c1ccc(cc1)N[*:1] CC(C)[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2C)[*:1]
COc1cc(CNC(=O)Nc2cccc(Br)c2)ccc1OCCO OCC[*:1] COc1cc(ccc1O[*:1])CNC(=O)Nc1cccc(Br)c1
COc1cc(CNC(=O)Nc2cccc(Br)c2)ccc1OCCO OCCO[*:1] COc1cc(ccc1[*:1])CNC(=O)Nc1cccc(Br)c1
COc1cc(CNC(=O)Nc2cccc(Br)c2)ccc1OCCO Brc1cccc(c1)[*:1] COc1cc(ccc1OCCO)CNC(=O)N[*:1]
CN(C(=O)[C@]1(C)Oc2ccccc2NC1=O)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)[C@]1(C)Oc2ccccc2NC1=O)[*:1]
CC(C)C[NH+](C)CCC(=O)[O-] O=C([O-])[*:1] CC(C)C[NH+](C)CC[*:1]
CC(C)C[NH+](C)CCC(=O)[O-] CC(C)[*:1] C[NH+](CCC(=O)[O-])C[*:1]
C[C@H](NC(=O)/C=C1/Sc2ccccc2NC1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)/C=C1/Sc2ccccc2NC1=O)[*:1]
COC(=O)[C@H](C)CNC(=O)Nc1cccc(SC(F)F)c1 COC(=O)[C@H](C)C[*:1] O=C(Nc1cccc(c1)SC(F)F)N[*:1]
COC(=O)[C@H](C)CNC(=O)Nc1cccc(SC(F)F)c1 COC(=O)[*:1] C[C@H](CNC(=O)Nc1cccc(c1)SC(F)F)[*:1]
COC(=O)[C@H](C)CNC(=O)Nc1cccc(SC(F)F)c1 FC(F)S[*:1] COC(=O)[C@H](C)CNC(=O)Nc1cccc(c1)[*:1]
COC(=O)[C@H](C)CNC(=O)Nc1cccc(SC(F)F)c1 FC(F)[*:1] COC(=O)[C@H](C)CNC(=O)Nc1cccc(c1)S[*:1]
COC(=O)[C@H](C)CNC(=O)Nc1cccc(SC(F)F)c1 COC(=O)[C@H](C)[*:1] O=C(NC[*:1])Nc1cccc(c1)SC(F)F
COc1cccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(-c4ccco4)cc3)CC2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])N1CCC(CC1)S(=O)(=O)c1ccc(cc1)-c1ccco1
COc1cccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(-c4ccco4)cc3)CC2)c1 c1coc(c1)[*:1] COc1cccc(c1)NC(=O)N1CCC(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC[NH+](CC)[C@@](C)(CC)[C@@H](C)O C[C@@H](O)[*:1] CC[NH+](CC)[C@@](C)(CC)[*:1]
O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1[*:1]
O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1N1CCCC1=O c1ccc(cc1)[*:1] O=C(COc1ccccc1[*:1])Nc1ccccc1N1CCCC1=O
CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCOCC2)cc1 CCOc1ccc(cc1)[*:1] O=C([C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1[*:1])N1CCOCC1
CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] CCOc1ccc(cc1)[C@H]1Nn2c(nnc2-c2ccccc2)S[C@@H]1[*:1]
CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCOCC2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1Nn2c(nnc2[*:1])S[C@H]1C(=O)N1CCOCC1
CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCOCC2)cc1 CCO[*:1] O=C([C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(cc1)[*:1])N1CCOCC1
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccco4)o3)cc2)C[C@@H](C)O1 c1coc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccco4)o3)cc2)C[C@@H](C)O1 c1coc(c1)-c1nnc(o1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
C[C@@H](C(=O)N(C)CC(=O)Nc1ccc([S@@](C)=O)cc1)n1cccn1 C[S@@](=O)[*:1] C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(cc1)[*:1])n1cccn1
C[C@@H](C(=O)N(C)CC(=O)Nc1ccc([S@@](C)=O)cc1)n1cccn1 C[C@@H](n1cccn1)[*:1] CN(CC(=O)Nc1ccc(cc1)[S@@](C)=O)C(=O)[*:1]
C[C@@H](C(=O)N(C)CC(=O)Nc1ccc([S@@](C)=O)cc1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(cc1)[S@@](C)=O)[*:1]
CCC(CC)N(C)c1ncnc2c1cnn2CC(=O)OC CCC(CC)[*:1] COC(=O)Cn1ncc2c(ncnc21)N(C)[*:1]
CCC(CC)N(C)c1ncnc2c1cnn2CC(=O)OC COC(=O)C[*:1] CCC(CC)N(C)c1ncnc2c1cnn2[*:1]
CCC(CC)N(C)c1ncnc2c1cnn2CC(=O)OC COC(=O)[*:1] CCC(CC)N(C)c1ncnc2c1cnn2C[*:1]
CCC(CC)N(C)c1ncnc2c1cnn2CC(=O)OC CCC(CC)N(C)[*:1] COC(=O)Cn1ncc2c(ncnc21)[*:1]
CN(CCS(C)(=O)=O)C(=O)Nc1cc(C(F)(F)F)ccc1F CS(=O)(=O)CC[*:1] CN(C(=O)Nc1cc(ccc1F)C(F)(F)F)[*:1]
CN(CCS(C)(=O)=O)C(=O)Nc1cc(C(F)(F)F)ccc1F CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)Nc1cc(ccc1F)C(F)(F)F
CN(CCS(C)(=O)=O)C(=O)Nc1cc(C(F)(F)F)ccc1F CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)Nc1cc(ccc1F)C(F)(F)F
CN(CCS(C)(=O)=O)C(=O)Nc1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CN(CCS(C)(=O)=O)C(=O)Nc1cc(ccc1F)[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)Cc2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccc(Cl)cc1)NCC[C@H]1CCCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)C[*:1]
O=C(CCC1CCCCC1)NNC(=O)[C@@H](O)c1ccccc1 C1CCC(CC1)[*:1] O=C(CC[*:1])NNC(=O)[C@@H](O)c1ccccc1
O=C(CCC1CCCCC1)NNC(=O)[C@@H](O)c1ccccc1 C1CCC(CC1)C[*:1] O=C(C[*:1])NNC(=O)[C@@H](O)c1ccccc1
O=C(CCC1CCCCC1)NNC(=O)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCC1CCCCC1)NNC(=O)[C@@H](O)[*:1]
CC(=O)Nc1cc(C(=O)NCCCO)nn1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)Nc1cc(nn1[*:1])C(=O)NCCCO
CC(=O)Nc1cc(C(=O)NCCCO)nn1-c1ccccc1 O=C(NCCCO)[*:1] CC(=O)Nc1cc(nn1-c1ccccc1)[*:1]
CC(=O)Nc1cc(C(=O)NCCCO)nn1-c1ccccc1 OCCC[*:1] CC(=O)Nc1cc(nn1-c1ccccc1)C(=O)N[*:1]
CC(=O)Nc1cc(C(=O)NCCCO)nn1-c1ccccc1 CC(=O)N[*:1] O=C(NCCCO)c1cc(n(n1)-c1ccccc1)[*:1]
CC(=O)Nc1cc(C(=O)NCCCO)nn1-c1ccccc1 OCC[*:1] CC(=O)Nc1cc(nn1-c1ccccc1)C(=O)NC[*:1]
CCOc1ccccc1CNC(=O)N1CCCC[C@H]1C CCO[*:1] C[C@@H]1CCCCN1C(=O)NCc1ccccc1[*:1]
CCc1ccsc1C(=O)N(C)CCN(C)C(=O)OC(C)(C)C CC(C)(C)[*:1] CCc1ccsc1C(=O)N(C)CCN(C)C(=O)O[*:1]
CCc1ccsc1C(=O)N(C)CCN(C)C(=O)OC(C)(C)C CCc1ccsc1[*:1] CN(CCN(C)C(=O)[*:1])C(=O)OC(C)(C)C
O=C(Nc1ccc2c(c1)OCCO2)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc2OCCOc2c1)[*:1]
CCC1(CNC(=O)C(=O)Nc2cc(F)ccc2N2CCCCC2)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])C(=O)Nc1cc(F)ccc1N1CCCCC1
CCC1(CNC(=O)C(=O)Nc2cc(F)ccc2N2CCCCC2)CC1 C1CCN(CC1)[*:1] CCC1(CC1)CNC(=O)C(=O)Nc1cc(F)ccc1[*:1]
CCC1(CNC(=O)C(=O)Nc2cc(F)ccc2N2CCCCC2)CC1 CCC1(CC1)C[*:1] O=C(Nc1cc(F)ccc1N1CCCCC1)C(=O)N[*:1]
NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)cc(c1[O-])[*:1]
NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1[O-] NC(=O)[*:1] O=C1N[C@@H](c2cc(Cl)cc(c2[O-])[N+](=O)[O-])N(C[*:1])c2ccccc21
NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1[O-] NC(=O)C[*:1] O=C1N[C@@H](c2cc(Cl)cc(c2[O-])[N+](=O)[O-])N(c2ccccc21)[*:1]
CCc1nn2c(=O)cc(COc3ccc(NC(=O)c4ccccc4F)cc3)nc2s1 Fc1ccccc1[*:1] CCc1nn2c(=O)cc(COc3ccc(cc3)NC(=O)[*:1])nc2s1
CCc1nn2c(=O)cc(COc3ccc(NC(=O)c4ccccc4F)cc3)nc2s1 O=C(N[*:1])c1ccccc1F CCc1nn2c(=O)cc(COc3ccc(cc3)[*:1])nc2s1
C=C(C)Cn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)cn23)n(C)c1=O C=C(C)[*:1] COc1ccccc1-n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
C=C(C)Cn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)cn23)n(C)c1=O C=C(C)C[*:1] COc1ccccc1-n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
C=C(C)Cn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)cn23)n(C)c1=O COc1ccccc1[*:1] C=C(C)Cn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
C[C@@H](C(=O)NCc1cccs1)N1CCn2c(nn(C)c2=O)C1 c1csc(c1)C[*:1] C[C@@H](C(=O)N[*:1])N1CCn2c(C1)nn(C)c2=O
C[C@@H](C(=O)NCc1cccs1)N1CCn2c(nn(C)c2=O)C1 c1csc(c1)[*:1] C[C@@H](C(=O)NC[*:1])N1CCn2c(C1)nn(C)c2=O
CC(=O)Nc1ccc(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc1 CC(=O)N[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])[C@H](C)N1CCOCC1
CC(=O)Nc1ccc(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N[C@@H](C)[C@H](C)[*:1]
Cc1cc(OC(F)F)c(C(=O)N2CCSC2)s1 FC(F)O[*:1] Cc1cc(c(s1)C(=O)N1CCSC1)[*:1]
Cc1cc(OC(F)F)c(C(=O)N2CCSC2)s1 FC(F)[*:1] Cc1cc(O[*:1])c(s1)C(=O)N1CCSC1
Cc1cccc([C@H]2CCCN2C(=O)NCc2ccsc2)c1 Cc1cccc(c1)[*:1] O=C(NCc1ccsc1)N1CCC[C@@H]1[*:1]
Cc1cccc([C@H]2CCCN2C(=O)NCc2ccsc2)c1 c1cc(cs1)[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)NC[*:1]
Cc1cccc([C@H]2CCCN2C(=O)NCc2ccsc2)c1 c1cc(cs1)C[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)N[*:1]
O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccc(F)cc2)CC1 Fc1cc(Cl)ccc1[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1F)N1CCN(CC1)[*:1]
CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)nn(Cc3c(F)c(F)c(F)c(F)c3F)c2C)n1 O=[N+]([O-])[*:1] CCn1cc(c(n1)C(=O)Nc1c(C)nn(Cc2c(F)c(F)c(F)c(F)c2F)c1C)[*:1]
CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)nn(Cc3c(F)c(F)c(F)c(F)c3F)c2C)n1 CCn1cc(c(n1)[*:1])[N+](=O)[O-] Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)[*:1]
O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2ccc3c(c2)CCO3)C1 O=C([O-])[*:1] O=S(=O)(N[C@H]1C=C[C@@H](C1)[*:1])c1ccc2OCCc2c1
CCOC(=O)/C=C/C(=O)N[C@H](C)c1ccccc1 CCOC(=O)[*:1] C[C@@H](NC(=O)C=C[*:1])c1ccccc1
CCOC(=O)/C=C/C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)/C=C/C(=O)N[C@H](C)[*:1]
Clc1ccc(COc2ccc(CNn3cnnc3)cc2)cc1 Clc1ccc(cc1)[*:1] c1cc(ccc1CNn1cnnc1)OC[*:1]
Clc1ccc(COc2ccc(CNn3cnnc3)cc2)cc1 c1nncn1NC[*:1] Clc1ccc(cc1)COc1ccc(cc1)[*:1]
CCc1nn(C)cc1CNC[C@@H](c1ccc(C)o1)N1CCOCC1 C1CN(CCO1)[*:1] CCc1nn(C)cc1CNC[C@@H](c1ccc(C)o1)[*:1]
CCc1nn(C)cc1CNC[C@@H](c1ccc(C)o1)N1CCOCC1 Cc1ccc(o1)[*:1] CCc1nn(C)cc1CNC[C@@H](N1CCOCC1)[*:1]
CCc1nn(C)cc1CNC[C@@H](c1ccc(C)o1)N1CCOCC1 CCc1nn(C)cc1[*:1] Cc1ccc(o1)[C@H](CNC[*:1])N1CCOCC1
NC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(COC(=O)C=C[*:1])Nc1c(Cl)cc(Cl)cc1Cl
NC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 Clc1cc(Cl)c(c(Cl)c1)[*:1] NC(=O)c1ccc(/C=C/C(=O)OCC(=O)N[*:1])cc1
NC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 NC(=O)[*:1] O=C(COC(=O)/C=C/c1ccc(cc1)[*:1])Nc1c(Cl)cc(Cl)cc1Cl
O=C(NC[C@H]1Cc2cccc(-c3cncnc3)c2O1)C1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(NC[C@H]1Cc2cccc(-c3cncnc3)c2O1)C1(CC1)[*:1]
O=C(NC[C@H]1Cc2cccc(-c3cncnc3)c2O1)C1(c2ccc(Cl)cc2)CC1 c1ncc(cn1)[*:1] O=C(NC[C@H]1Cc2cccc(c2O1)[*:1])C1(CC1)c1ccc(Cl)cc1
Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccc(Br)cc3C(F)(F)F)c2n1 FC(F)(F)[*:1] Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccc(Br)cc3[*:1])c2n1
Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccc(Br)cc3C(F)(F)F)c2n1 FC(F)[*:1] Cc1cc(n2ncc(C(=O)Nc3ccc(Br)cc3C(F)(F)F)c2n1)[*:1]
COc1c(F)cc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1F c1ccc(cc1)[*:1] COc1c(F)cc(cc1F)NC(=O)CCc1cnn(c1)[*:1]
CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 CCO[*:1] O=S(=O)(Nc1ccc2OCCOc2c1)c1cc(Cl)ccc1[*:1]
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N[*:1]
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(C)cc1C CCOC(=O)[*:1] Cc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2[*:1])c(C)c1
C[NH+]1CCN(CCCNC(=O)C(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] C[NH+]1CCN(CCCNC(=O)C(=O)[*:1])CC1
C[C@H](NC(=O)N[C@H](c1ccccc1)c1nccn1C)c1nccs1 c1csc(n1)[*:1] C[C@H](NC(=O)N[C@H](c1ccccc1)c1nccn1C)[*:1]
C[C@H](NC(=O)N[C@H](c1ccccc1)c1nccn1C)c1nccs1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H](c1nccn1C)[*:1])c1nccs1
C[C@H](NC(=O)N[C@H](c1ccccc1)c1nccn1C)c1nccs1 Cn1ccnc1[*:1] C[C@H](NC(=O)N[C@H](c1ccccc1)[*:1])c1nccs1
C[C@H](NC(=O)N[C@H](c1ccccc1)c1nccn1C)c1nccs1 C[C@H](c1nccs1)[*:1] Cn1ccnc1[C@H](NC(=O)N[*:1])c1ccccc1
COc1cccc(CN2CCN(c3ccccc3[C@@H](O)c3nccs3)CC2)c1 c1csc(n1)[*:1] COc1cccc(c1)CN1CCN(CC1)c1ccccc1[C@@H](O)[*:1]
COc1cccc(CN2CCN(c3ccccc3[C@@H](O)c3nccs3)CC2)c1 COc1cccc(c1)[*:1] O[C@@H](c1nccs1)c1ccccc1N1CCN(CC1)C[*:1]
COc1cccc(CN2CCN(c3ccccc3[C@@H](O)c3nccs3)CC2)c1 COc1cccc(c1)C[*:1] O[C@@H](c1nccs1)c1ccccc1N1CCN(CC1)[*:1]
CCCCC(=O)Nc1cc(NC(=O)[C@H]2N=C(C)C=C2C)ccc1OC CCC[*:1] COc1ccc(cc1NC(=O)C[*:1])NC(=O)[C@H]1N=C(C)C=C1C
CCCCC(=O)Nc1cc(NC(=O)[C@H]2N=C(C)C=C2C)ccc1OC CCCC[*:1] COc1ccc(cc1NC(=O)[*:1])NC(=O)[C@H]1N=C(C)C=C1C
CCCCC(=O)Nc1cc(NC(=O)[C@H]2N=C(C)C=C2C)ccc1OC CCCCC(=O)N[*:1] COc1ccc(cc1[*:1])NC(=O)[C@H]1N=C(C)C=C1C
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCc3ccccc32)cc1 CC(=O)N[*:1] O=C(CCNS(=O)(=O)c1ccc(cc1)[*:1])N[C@@H]1CCCc2ccccc21
CN(C)C(=O)C[C@H](C[NH3+])N1CCOCC1(C)C CN(C)C(=O)[*:1] CC1(C)COCCN1[C@@H](C[NH3+])C[*:1]
C[C@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H](Nc1cccc(c1)CN1CCCCC1=O)C(=O)N[*:1]
C[C@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](Nc1cccc(c1)CN1CCCCC1=O)C(=O)Nc1cccc(c1)[*:1]
C[C@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=C1CCCCN1[*:1] C[C@H](Nc1cccc(c1)C[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
C[C@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=C1CCCCN1C[*:1] C[C@H](Nc1cccc(c1)[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
CN(CCc1cccs1)C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C c1csc(c1)C[*:1] CN(C[*:1])C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C
CN(CCc1cccs1)C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C CC(C)(C)[*:1] CN(CCc1cccs1)C(=O)C(=O)Nc1cc(C[*:1])nn1C
CN(CCc1cccs1)C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C c1csc(c1)CC[*:1] CN(C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C)[*:1]
CN(CCc1cccs1)C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C CC(C)(C)C[*:1] CN(CCc1cccs1)C(=O)C(=O)Nc1cc(nn1C)[*:1]
CN(CCc1cccs1)C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C c1csc(c1)[*:1] CN(CC[*:1])C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cnn(CC)c2)C1 CCCC[*:1] CCn1cc(cn1)C(=O)N1C[C@@H](CC[C@@H]1C)C(=O)N[*:1]
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cnn(CC)c2)C1 CCCCNC(=O)[*:1] CCn1cc(cn1)C(=O)N1C[C@@H](CC[C@@H]1C)[*:1]
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cnn(CC)c2)C1 CCn1cc(cn1)[*:1] CCCCNC(=O)[C@@H]1CC[C@H](C)N(C1)C(=O)[*:1]
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cnn(CC)c2)C1 CCC[*:1] CCn1cc(cn1)C(=O)N1C[C@@H](CC[C@@H]1C)C(=O)NC[*:1]
C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)c1nc(-c2ccccc2)no1 C1CCC(C1)[*:1] C[C@H](CNC(=O)c1ccn(n1)[*:1])c1nc(no1)-c1ccccc1
C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccn(n1)C1CCCC1)c1nc(no1)[*:1]
CCOC(=O)[C@@H]([NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 CCOC(=O)[*:1] CS(=O)(=O)c1ccc(cc1)[C@H](O)[C@H]([NH3+])[*:1]
CCOC(=O)[C@@H]([NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCOC(=O)[C@@H]([NH3+])[C@@H](O)c1ccc(cc1)[*:1]
Cc1ccc2c(CN3c4ccccc4[C@@H](C(N)=O)C[C@@H]3C)cc(=O)oc2c1 NC(=O)[*:1] Cc1ccc2c(cc(=O)oc2c1)CN1c2ccccc2[C@@H](C[C@@H]1C)[*:1]
Cc1cccc(NC(=O)CC2(n3cccc3)CCCCC2)n1 Cc1cccc(n1)[*:1] O=C(CC1(CCCCC1)n1cccc1)N[*:1]
Cc1cccc(NC(=O)CC2(n3cccc3)CCCCC2)n1 c1ccn(c1)[*:1] Cc1cccc(n1)NC(=O)CC1(CCCCC1)[*:1]
CN(C(=O)c1sccc1N)C1CCC(C)(C)CC1 Nc1ccsc1[*:1] CN(C(=O)[*:1])C1CCC(C)(C)CC1
Cc1nc([C@H](C#N)NC(=O)OC(C)(C)C)cs1 CC(C)(C)[*:1] Cc1nc(cs1)[C@H](C#N)NC(=O)O[*:1]
COC(=O)c1ccc(OC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1 Clc1cccc(c1)[*:1] COC(=O)c1ccc(cc1)OC(=O)c1ccn(n1)[*:1]
COC(=O)c1ccc(OC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1 COC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccn(n1)-c1cccc(Cl)c1
CC[C@H](O)c1ccc(O[C@@H]2CCOC3(CCCC3)C2)cc1 CC[C@H](O)[*:1] c1cc(ccc1O[C@@H]1CCOC2(CCCC2)C1)[*:1]
C[C@H](SCCOc1ccccc1F)C(=O)N(C)c1ccccc1 Fc1ccccc1[*:1] C[C@H](SCCO[*:1])C(=O)N(C)c1ccccc1
C[C@H](SCCOc1ccccc1F)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](SCCOc1ccccc1F)C(=O)N(C)[*:1]
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C(=O)Nc2cncc(C)c2)c1 Cc1cncc(c1)[*:1] CC[C@@H](C)C(=O)Nc1cccc(c1)CNC(=O)C(=O)N[*:1]
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C(=O)Nc2cncc(C)c2)c1 CC[C@@H](C)C(=O)N[*:1] Cc1cncc(c1)NC(=O)C(=O)NCc1cccc(c1)[*:1]
N#CCOc1ccccc1N1CCCCC1=O N#CC[*:1] O=C1CCCCN1c1ccccc1O[*:1]
N#CCOc1ccccc1N1CCCCC1=O N#CCO[*:1] O=C1CCCCN1c1ccccc1[*:1]
CO[C@H](C)[C@@H](O)Cc1ccn(C(C)C)n1 CO[C@H](C)[*:1] CC(C)n1ccc(C[C@H](O)[*:1])n1
CO[C@H](C)[C@@H](O)Cc1ccn(C(C)C)n1 CC(C)[*:1] CO[C@H](C)[C@@H](O)Cc1ccn(n1)[*:1]
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O O=C(c1ccccc1)[*:1] CC[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(Cl)cc1
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O Clc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)c2ccccc2)C1=O)[*:1]
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc(Cl)cc1
COCc1ccc([S@@](=O)[C@@H](C)C(=O)Nc2cc(C)ccc2OC)cc1 COC[*:1] COc1ccc(C)cc1NC(=O)[C@H](C)[S@](=O)c1ccc(cc1)[*:1]
O=C(c1ccc2ccccc2c1)N1CCC(c2nc3ccccc3o2)CC1 c1ccc2oc(nc2c1)[*:1] O=C(c1ccc2ccccc2c1)N1CCC(CC1)[*:1]
COc1ccc(NS(=O)(=O)c2cn(C)nc2C)c(OC)c1 Cc1nn(C)cc1[*:1] COc1ccc(NS(=O)(=O)[*:1])c(c1)OC
NC(=O)c1nc(-c2ccc3c(c2)OCCO3)nc2c1n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1 c1cc2OCCOc2cc1[*:1] NC(=O)c1nc(nc2c1n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1)[*:1]
NC(=O)c1nc(-c2ccc3c(c2)OCCO3)nc2c1n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1 c1ccc(cc1)[*:1] NC(=O)c1nc(nc2c1n(C[*:1])c(=O)n2-c1ccc(F)cc1)-c1ccc2OCCOc2c1
NC(=O)c1nc(-c2ccc3c(c2)OCCO3)nc2c1n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1 NC(=O)[*:1] O=c1n(Cc2ccccc2)c2c(nc(nc2n1-c1ccc(F)cc1)-c1ccc2OCCOc2c1)[*:1]
NC(=O)c1nc(-c2ccc3c(c2)OCCO3)nc2c1n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)c1nc(nc2c1n(Cc1ccccc1)c(=O)n2[*:1])-c1ccc2OCCOc2c1
NC(=O)c1nc(-c2ccc3c(c2)OCCO3)nc2c1n(Cc1ccccc1)c(=O)n2-c1ccc(F)cc1 c1ccc(cc1)C[*:1] NC(=O)c1nc(nc2c1n(c(=O)n2-c1ccc(F)cc1)[*:1])-c1ccc2OCCOc2c1
COC(=O)Cn1nc(C)c(CNc2ncnc3sccc23)c1C COC(=O)C[*:1] Cc1nn(c(C)c1CNc1ncnc2sccc12)[*:1]
COC(=O)Cn1nc(C)c(CNc2ncnc3sccc23)c1C COC(=O)[*:1] Cc1nn(C[*:1])c(C)c1CNc1ncnc2sccc12
COc1ccc(F)c(NC(=O)c2ccccc2CSc2ncn[nH]2)c1 c1n[nH]c(n1)S[*:1] COc1ccc(F)c(c1)NC(=O)c1ccccc1C[*:1]
COc1ccc(F)c(NC(=O)c2ccccc2CSc2ncn[nH]2)c1 c1n[nH]c(n1)[*:1] COc1ccc(F)c(c1)NC(=O)c1ccccc1CS[*:1]
COc1ccc(F)c(NC(=O)c2ccccc2CSc2ncn[nH]2)c1 c1n[nH]c(n1)SC[*:1] COc1ccc(F)c(c1)NC(=O)c1ccccc1[*:1]
O=C(N(CCc1cccs1)Cc1ccoc1)C12CC3CC(CC(C3)C1)C2 c1csc(c1)C[*:1] O=C(N(Cc1ccoc1)C[*:1])C12CC3CC(CC(C3)C1)C2
O=C(N(CCc1cccs1)Cc1ccoc1)C12CC3CC(CC(C3)C1)C2 c1cc(co1)C[*:1] O=C(N(CCc1cccs1)[*:1])C12CC3CC(CC(C3)C1)C2
O=C(N(CCc1cccs1)Cc1ccoc1)C12CC3CC(CC(C3)C1)C2 c1csc(c1)CC[*:1] O=C(N(Cc1ccoc1)[*:1])C12CC3CC(CC(C3)C1)C2
O=C(N(CCc1cccs1)Cc1ccoc1)C12CC3CC(CC(C3)C1)C2 c1cc(co1)[*:1] O=C(N(CCc1cccs1)C[*:1])C12CC3CC(CC(C3)C1)C2
O=C(N(CCc1cccs1)Cc1ccoc1)C12CC3CC(CC(C3)C1)C2 c1csc(c1)[*:1] O=C(N(CC[*:1])Cc1ccoc1)C12CC3CC(CC(C3)C1)C2
O=C(CNC(=O)c1cccc(Br)c1)NCC1(c2ccccc2)CCCC1 Brc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])NCC1(CCCC1)c1ccccc1
O=C(CNC(=O)c1cccc(Br)c1)NCC1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1cccc(Br)c1)NCC1(CCCC1)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 c1csc(c1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
CC(C)(C)c1ccc(=O)n(CCCOc2ccc(F)cc2)n1 CC(C)(C)[*:1] O=c1ccc(nn1CCCOc1ccc(F)cc1)[*:1]
CC(C)(C)c1ccc(=O)n(CCCOc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)(C)c1ccc(=O)n(CCCO[*:1])n1
Cc1nnc(-c2ccc(NC(=O)NCc3ccnc(OC(C)(C)C)c3)cc2)o1 Cc1nnc(o1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)Nc1ccc(cc1)[*:1]
Cc1nnc(-c2ccc(NC(=O)NCc3ccnc(OC(C)(C)C)c3)cc2)o1 CC(C)(C)[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)NCc1ccnc(c1)O[*:1]
Cc1nnc(-c2ccc(NC(=O)NCc3ccnc(OC(C)(C)C)c3)cc2)o1 CC(C)(C)O[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)NCc1ccnc(c1)[*:1]
CN(Cc1[nH+]ccn1C)c1cccc(F)c1C(N)=[NH2+] NC(=[NH2+])[*:1] CN(Cc1[nH+]ccn1C)c1cccc(F)c1[*:1]
COc1cc(-n2nnc(C(=O)Nc3ccc(C)cc3)c2N)ccc1Cl Cc1ccc(cc1)[*:1] COc1cc(ccc1Cl)-n1nnc(C(=O)N[*:1])c1N
Cn1cc(N2CC[C@H](NC(=O)CCSc3ccccn3)C2=O)cn1 c1ccc(nc1)SC[*:1] Cn1cc(cn1)N1CC[C@H](NC(=O)C[*:1])C1=O
Cn1cc(N2CC[C@H](NC(=O)CCSc3ccccn3)C2=O)cn1 c1ccc(nc1)[*:1] Cn1cc(cn1)N1CC[C@H](NC(=O)CCS[*:1])C1=O
Cn1cc(N2CC[C@H](NC(=O)CCSc3ccccn3)C2=O)cn1 c1ccc(nc1)S[*:1] Cn1cc(cn1)N1CC[C@H](NC(=O)CC[*:1])C1=O
Cn1cc(N2CC[C@H](NC(=O)CCSc3ccccn3)C2=O)cn1 Cn1cc(cn1)[*:1] O=C(CCSc1ccccn1)N[C@H]1CCN(C1=O)[*:1]
CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 CC(C)[*:1] O=C(NC(=S)Nc1cccc2C(=O)N(C(=O)c12)c1ccccc1)c1cccc(c1)O[*:1]
CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 CC(C)Oc1cccc(c1)[*:1] O=C1c2cccc(NC(=S)NC(=O)[*:1])c2C(=O)N1c1ccccc1
CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 CC(C)O[*:1] O=C(NC(=S)Nc1cccc2C(=O)N(C(=O)c12)c1ccccc1)c1cccc(c1)[*:1]
CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 c1ccc(cc1)[*:1] CC(C)Oc1cccc(c1)C(=O)NC(=S)Nc1cccc2C(=O)N(C(=O)c12)[*:1]
Cc1nn(C)c(Cl)c1CSCC(=O)N(C)[C@@H]1CCCc2ccccc21 Cc1nn(C)c(Cl)c1[*:1] CN(C(=O)CSC[*:1])[C@@H]1CCCc2ccccc21
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C CC(C)(C)[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 CC(=O)c1cccc(c1)[*:1] CC(C)c1cccc(c1NC(=O)[C@H](C)O[*:1])C(C)C
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 CC(C)[*:1] CC(=O)c1cccc(c1)O[C@@H](C)C(=O)Nc1c(cccc1[*:1])C(C)C
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 CC(=O)[*:1] CC(C)c1cccc(c1NC(=O)[C@H](C)Oc1cccc(c1)[*:1])C(C)C
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(OC(F)(F)F)c3)C2=O)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(c2)O[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(OC(F)(F)F)c3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2cccc(c2)OC(F)(F)F)C1=O)[*:1]
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(OC(F)(F)F)c3)C2=O)cc1 FC(F)(F)O[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(c2)[*:1])C1=O
COC(=O)C1=C(C(=O)OC)[C@@](O)(c2ccccc2)[C@@H](c2ccccc2)O1 COC(=O)[*:1] COC(=O)C1O[C@H](c2ccccc2)[C@@](O)(C=1[*:1])c1ccccc1
COC(=O)C1=C(C(=O)OC)[C@@](O)(c2ccccc2)[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] COC(=O)C1O[C@H](c2ccccc2)[C@](O)(C=1C(=O)OC)[*:1]
COC(=O)C1=C(C(=O)OC)[C@@](O)(c2ccccc2)[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] COC(=O)C1O[C@H]([C@@](O)(C=1C(=O)OC)c1ccccc1)[*:1]
COC(=O)C1=C(C(=O)OC)[C@@](O)(c2ccccc2)[C@@H](c2ccccc2)O1 COC(=O)[*:1] COC(=O)C1=C(O[C@H](c2ccccc2)[C@]1(O)c1ccccc1)[*:1]
Cc1ccc(NC(=O)CC[NH2+][C@H](C)CC2CC2)c(Cl)c1 C1CC1[*:1] Cc1ccc(NC(=O)CC[NH2+][C@H](C)C[*:1])c(Cl)c1
Cc1ccc(NC(=O)CC[NH2+][C@H](C)CC2CC2)c(Cl)c1 C1CC1C[*:1] Cc1ccc(NC(=O)CC[NH2+][C@H](C)[*:1])c(Cl)c1
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1c[nH]cn1
CC[C@H](C)[C@@H](CO)c1ccccc1C CC[C@H](C)[*:1] Cc1ccccc1[C@H](CO)[*:1]
O=C(c1cc2n(n1)CCN(Cc1coc3ccccc3c1=O)C2)N1CCCC1 O=C(N1CCCC1)[*:1] O=c1c(coc2ccccc12)CN1CCn2nc(cc2C1)[*:1]
CCOCCCc1cnc(C[NH2+]C)o1 CCOC[*:1] C[NH2+]Cc1ncc(CC[*:1])o1
CCOCCCc1cnc(C[NH2+]C)o1 CCO[*:1] C[NH2+]Cc1ncc(CCC[*:1])o1
Cc1ccsc1CN(C)S(=O)(=O)c1cccc(F)c1 Cc1ccsc1[*:1] CN(C[*:1])S(=O)(=O)c1cccc(F)c1
CC[C@@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 c1cnn(c1)[*:1] CC[C@@H]1CCCN(C1)C(=O)Cc1ccc(cc1)[*:1]
CCC(CC)[C@@H](C(=O)OC)C(=O)C(C)C CC(C)[*:1] CCC(CC)[C@@H](C(=O)OC)C(=O)[*:1]
CCC(CC)[C@@H](C(=O)OC)C(=O)C(C)C COC(=O)[*:1] CCC(CC)[C@@H](C(=O)C(C)C)[*:1]
CCC(CC)[C@@H](C(=O)OC)C(=O)C(C)C CCC(CC)[*:1] COC(=O)[C@@H](C(=O)C(C)C)[*:1]
CCC(CC)[C@@H](C(=O)OC)C(=O)C(C)C CC(C)C(=O)[*:1] CCC(CC)[C@@H](C(=O)OC)[*:1]
CCc1nsc(N2CCC(CC(N)=O)CC2)n1 NC(=O)C[*:1] CCc1nsc(n1)N1CCC(CC1)[*:1]
CCc1nsc(N2CCC(CC(N)=O)CC2)n1 NC(=O)[*:1] CCc1nsc(n1)N1CCC(CC1)C[*:1]
CC[NH2+][C@@H]1CCCC[C@H]1SC[C@@H](C)CO C[C@@H](CO)C[*:1] CC[NH2+][C@@H]1CCCC[C@H]1S[*:1]
CC[NH2+][C@@H]1CCCC[C@H]1SC[C@@H](C)CO C[C@@H](CO)[*:1] CC[NH2+][C@@H]1CCCC[C@H]1SC[*:1]
COC(=O)[C@@H](C)[C@H](C)[NH2+]CC1CCCCC1 COC(=O)[*:1] C[C@H]([NH2+]CC1CCCCC1)[C@H](C)[*:1]
CCC(CC)[NH+](C)CCC(=O)NC(N)=O CCC(CC)[*:1] C[NH+](CCC(=O)NC(N)=O)[*:1]
Cc1cc(C)cc(NC(=O)NCc2nnc(SCc3ccccc3)n2C)c1 c1ccc(cc1)CS[*:1] Cc1cc(C)cc(c1)NC(=O)NCc1nnc(n1C)[*:1]
Cc1cc(C)cc(NC(=O)NCc2nnc(SCc3ccccc3)n2C)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)NCc1nnc(SC[*:1])n1C
Cc1cc(C)cc(NC(=O)NCc2nnc(SCc3ccccc3)n2C)c1 Cc1cc(C)cc(c1)[*:1] Cn1c(CNC(=O)N[*:1])nnc1SCc1ccccc1
Cc1cc(C)cc(NC(=O)NCc2nnc(SCc3ccccc3)n2C)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)NCc1nnc(S[*:1])n1C
Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccn3)ncn2)s1 c1cnn(c1)[*:1] Cc1nc(C)c(s1)C(=O)NCCNc1cc(ncn1)[*:1]
Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccn3)ncn2)s1 Cc1nc(C)c(s1)[*:1] O=C(NCCNc1cc(ncn1)-n1cccn1)[*:1]
CCCNC(=O)NC(C)(C)c1ncc(C)s1 CCC[*:1] Cc1cnc(s1)C(C)(C)NC(=O)N[*:1]
COc1ccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)NC(=O)[C@H]1c2cc(OC)c(cc2C(=O)N(C)[C@H]1[*:1])OC
COc1ccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)cc1OC COc1ccc(cc1OC)[*:1] COc1cc2C(=O)N(C)[C@H](c3cccs3)[C@@H](C(=O)N[*:1])c2cc1OC
CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 CC(C)[*:1] CCn1nc(cc1C(=O)N1CCC[C@@H](C1)OCc1ccccn1)[*:1]
CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 c1ccc(C[*:1])nc1 CCn1nc(cc1C(=O)N1CCC[C@@H](C1)O[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 c1ccc(nc1)[*:1] CCn1nc(cc1C(=O)N1CCC[C@@H](C1)OC[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 c1ccc(CO[*:1])nc1 CCn1nc(cc1C(=O)N1CCC[C@H](C1)[*:1])C(C)C
CCCc1ccc(OC(=O)c2nc3ncc(Br)cn3n2)cc1 CCC[*:1] O=C(Oc1ccc(cc1)[*:1])c1nc2ncc(Br)cn2n1
Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1S(C)(=O)=O Fc1ccc(cc1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)C1(CC1)[*:1]
Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C1(CC1)c1ccc(F)cc1
COc1ccc(C[NH+]2CCNC(=O)CC2)cc1OCC(C)C CC(C)C[*:1] COc1ccc(cc1O[*:1])C[NH+]1CCNC(=O)CC1
COc1ccc(C[NH+]2CCNC(=O)CC2)cc1OCC(C)C CC(C)CO[*:1] COc1ccc(cc1[*:1])C[NH+]1CCNC(=O)CC1
COc1ccc(C[NH+]2CCNC(=O)CC2)cc1OCC(C)C CC(C)[*:1] COc1ccc(cc1OC[*:1])C[NH+]1CCNC(=O)CC1
COc1cccc(Nc2nnc(S[C@H]3Cc4ccccc4[C@H]3O)s2)c1 COc1cccc(c1)[*:1] O[C@@H]1c2ccccc2C[C@@H]1Sc1nnc(N[*:1])s1
CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC[*:1]
CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 c1ccc(cc1)CC[*:1] CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC[*:1]
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)s1 Fc1cccc(c1)[*:1] CCc1nnc(NS(=O)(=O)c2ccc(cc2)NC(=O)[*:1])s1
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)s1 CCc1nnc(s1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1cccc(F)c1
Cc1ccc(=O)n(CC(=O)NCc2cccs2)n1 c1csc(c1)[*:1] Cc1ccc(=O)n(CC(=O)NC[*:1])n1
Cc1ccc(=O)n(CC(=O)NCc2cccs2)n1 c1csc(c1)C[*:1] Cc1ccc(=O)n(CC(=O)N[*:1])n1
COc1ccc(C(=O)N2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3cccnc3)CC2)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)[C@H](C[*:1])N(C)C(=O)c1cccnc1
COc1ccc(C(=O)N2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3cccnc3)CC2)cc1 CN(C(=O)c1cccnc1)[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)[C@H](Cc1ccc(F)cc1F)[*:1]
COc1ccc(C(=O)N2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3cccnc3)CC2)cc1 COc1ccc(cc1)[*:1] CN(C(=O)c1cccnc1)[C@@H](Cc1ccc(F)cc1F)C1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3cccnc3)CC2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)[C@H](Cc1ccc(F)cc1F)N(C)C(=O)[*:1]
COc1ccc(C(=O)N2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3cccnc3)CC2)cc1 Fc1ccc(C[*:1])c(F)c1 COc1ccc(cc1)C(=O)N1CCC(CC1)[C@H](N(C)C(=O)c1cccnc1)[*:1]
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C)[C@@H](O)C1 CC(C)(C)[*:1] CC(C)C[C@H](NC(=O)O[*:1])C(=O)N1CC[C@@H](C)[C@@H](O)C1
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C)[C@@H](O)C1 CC(C)C[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)[C@@H](NC(=O)OC(C)(C)C)[*:1]
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C)[C@@H](O)C1 CC(C)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)[C@H](C[*:1])NC(=O)OC(C)(C)C
[NH3+][C@H](C(=O)[O-])[C@H](O)c1ccc(F)cc1 O=C([O-])[*:1] [NH3+][C@H]([C@H](O)c1ccc(F)cc1)[*:1]
Cc1c(C[NH2+]C[C@@H]2CCCO2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(C[NH2+]C[C@@H]2CCCO2)c(C(=O)[O-])c(C)n1C[*:1]
Cc1c(C[NH2+]C[C@@H]2CCCO2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 O=C([O-])[*:1] Cc1c(C[NH2+]C[C@@H]2CCCO2)c(c(C)n1Cc1ccc(F)cc1)[*:1]
Cc1c(C[NH2+]C[C@@H]2CCCO2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1c(C[NH2+]C[C@@H]2CCCO2)c(C(=O)[O-])c(C)n1[*:1]
O=C(NC1CCCCC1)C1CCN(C2=NC=NC3=NC=N[C@H]32)CC1 C1CCC(CC1)[*:1] O=C(N[*:1])C1CCN(CC1)C1=NC=NC2=NC=N[C@H]21
COc1ccccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2C)CC1=O COc1ccccc1[*:1] Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2C)CC1=O Cc1c(Cl)cccc1[*:1] COc1ccccc1N1C[C@@H](CC1=O)C(=O)N[*:1]
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1 COc1ccc(Cl)cc1[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1CCN(C)CC1)[*:1]
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)[*:1]
CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 CC(C)(C)[*:1] O=C(N[*:1])c1cccc(c1)[N-]S(=O)(=O)c1ccc(F)c(F)c1
CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 CC(C)(C)NC(=O)[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1ccc(F)c(F)c1
CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] CC(C)(C)NC(=O)c1cccc(c1)[N-]S(=O)(=O)[*:1]
COCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 COCCNC(=O)N[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
COCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] COCCNC(=O)N[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 COCC[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)NC(=O)N[*:1]
COCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 COC[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)NC(=O)NC[*:1]
Cc1noc(CCCC(=O)N2CCN(Cc3ccncc3)CC2)n1 Cc1noc(n1)[*:1] O=C(CCC[*:1])N1CCN(CC1)Cc1ccncc1
Cc1noc(CCCC(=O)N2CCN(Cc3ccncc3)CC2)n1 Cc1noc(C[*:1])n1 O=C(CC[*:1])N1CCN(CC1)Cc1ccncc1
Cc1noc(CCCC(=O)N2CCN(Cc3ccncc3)CC2)n1 c1cc(ccn1)[*:1] Cc1noc(CCCC(=O)N2CCN(CC2)C[*:1])n1
Cc1noc(CCCC(=O)N2CCN(Cc3ccncc3)CC2)n1 c1cc(ccn1)C[*:1] Cc1noc(CCCC(=O)N2CCN(CC2)[*:1])n1
Cc1noc(CCCC(=O)N2CCN(Cc3ccncc3)CC2)n1 Cc1noc(CC[*:1])n1 O=C(C[*:1])N1CCN(CC1)Cc1ccncc1
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3n2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1cc(C(F)F)n2ncc(C(=O)N(C)[*:1])c2n1
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3n2)cc1 FC(F)[*:1] Cc1ccc(cc1)-c1cc(n2ncc(C(=O)N(C)Cc3ccccc3)c2n1)[*:1]
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cc(C(F)F)n2ncc(C(=O)N(C)C[*:1])c2n1
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3n2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)c1cnn2c(cc(nc12)[*:1])C(F)F
COCCn1c(C(=O)Nc2cccc(-c3ncon3)c2)cc2ccccc21 COCC[*:1] O=C(Nc1cccc(c1)-c1ncon1)c1cc2ccccc2n1[*:1]
COCCn1c(C(=O)Nc2cccc(-c3ncon3)c2)cc2ccccc21 COC[*:1] O=C(Nc1cccc(c1)-c1ncon1)c1cc2ccccc2n1C[*:1]
COCCn1c(C(=O)Nc2cccc(-c3ncon3)c2)cc2ccccc21 c1nc(no1)[*:1] COCCn1c(cc2ccccc21)C(=O)Nc1cccc(c1)[*:1]
C[C@H](CC(=O)[O-])NC(=O)CS[C@H]1CCS(=O)(=O)C1 O=C([O-])C[*:1] C[C@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)[*:1]
C[C@H](CC(=O)[O-])NC(=O)CS[C@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] C[C@H](C[*:1])NC(=O)CS[C@H]1CCS(=O)(=O)C1
C[C@H](CC(=O)[O-])NC(=O)CS[C@H]1CCS(=O)(=O)C1 C[C@H](CC(=O)[O-])[*:1] O=C(CS[C@H]1CCS(=O)(=O)C1)N[*:1]
N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#C[C@H]1C(=O)Nc2nc(NCc3ccc4OCCCOc4c3)[nH]c(=O)c2[C@@H]1[*:1]
N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@H]1c1ccc(F)cc1 c1cc2OCCCOc2cc1[*:1] N#C[C@H]1C(=O)Nc2nc(NC[*:1])[nH]c(=O)c2[C@H]1c1ccc(F)cc1
O=C(Cc1cccs1)N[C@@H](c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] O=C(Cc1cccs1)N[C@@H](c1ccc(Cl)cc1)[*:1]
O=C(Cc1cccs1)N[C@@H](c1ccc(Cl)cc1)C1CC1 c1csc(c1)C[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)[*:1]
O=C(Cc1cccs1)N[C@@H](c1ccc(Cl)cc1)C1CC1 c1csc(c1)[*:1] O=C(C[*:1])N[C@@H](c1ccc(Cl)cc1)C1CC1
O=C(c1cccc(Oc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 c1ccc(cc1)O[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1F
O=C(c1cccc(Oc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)O[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1F
O=C(c1cccc(Oc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1cccc(c1)Oc1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)[C@@H](C)N(C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1)C1CC1 C1CC1[*:1] CC(C)[C@@H](C)N(C(=O)N[C@@H](C)c1ccc(cc1)N1CCCC1=O)[*:1]
CC(C)[C@@H](C)N(C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1)C1CC1 O=C1CCCN1[*:1] CC(C)[C@@H](C)N(C(=O)N[C@@H](C)c1ccc(cc1)[*:1])C1CC1
CC(C)[C@@H](C)N(C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1)C1CC1 CC(C)[C@@H](C)[*:1] C[C@H](NC(=O)N(C1CC1)[*:1])c1ccc(cc1)N1CCCC1=O
CC(C)[C@@H](C)N(C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1)C1CC1 CC(C)[*:1] C[C@H](NC(=O)N(C1CC1)[C@H](C)[*:1])c1ccc(cc1)N1CCCC1=O
Cc1cccc(NC(=O)c2cc3ccccc3o/c2=[NH+]\c2ccc(F)c(F)c2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1cc2ccccc2o/c1=[NH+]\c1ccc(F)c(F)c1
CCNC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 C1CC(C1)C[*:1] CCNC(=O)N([C@@H](C)c1ccccc1)[*:1]
CCNC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 C1CC(C1)[*:1] CCNC(=O)N(C[*:1])[C@@H](C)c1ccccc1
CCNC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)N(CC1CCC1)[C@@H](C)[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(C2CC2)[nH]n1 Clc1ccc(cc1)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)c1cc([nH]n1)C1CC1)[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(C2CC2)[nH]n1 C1CC1[*:1] C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc([nH]n1)[*:1]
C[C@@H](c1nc(-c2cccnc2Oc2ccccc2)no1)[NH+]1CCSCC1 c1ccc(cc1)[*:1] C[C@@H](c1nc(no1)-c1cccnc1O[*:1])[NH+]1CCSCC1
C[C@@H](c1nc(-c2cccnc2Oc2ccccc2)no1)[NH+]1CCSCC1 c1ccc(cc1)O[*:1] C[C@@H](c1nc(no1)-c1cccnc1[*:1])[NH+]1CCSCC1
CCSCCn1cnc2sc(C)cc2c1=O CCS[*:1] Cc1cc2c(=O)n(cnc2s1)CC[*:1]
CCSCCn1cnc2sc(C)cc2c1=O CCSCC[*:1] Cc1cc2c(=O)n(cnc2s1)[*:1]
CCSCCn1cnc2sc(C)cc2c1=O CCSC[*:1] Cc1cc2c(=O)n(cnc2s1)C[*:1]
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 COC(=O)[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@H](C=21)c1ccc(cc1)[*:1])c1ccccc1O
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 COC(=O)c1ccc(cc1)[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@H](C=21)[*:1])c1ccccc1O
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 Oc1ccccc1[*:1] COC(=O)c1ccc(cc1)[C@H]1C2C(=O)C[C@@H](CC=2Nc2ncnn21)[*:1]
COc1ccc(O[C@H](C)CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)O[*:1]
COc1ccc(O[C@H](C)CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)O[C@H](C)CNC(=O)[C@@H]1CCCC[C@H]1[*:1]
Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)c1cccn1[*:1]
Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)[*:1] Cc1ccc(cc1)Cn1cccc1C(=O)C(=O)N[*:1]
Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)c1cccn1C[*:1]
C#CCNC(=O)c1ccccc1NC(=O)[C@H]1SCCc2ccccc21 C#CCNC(=O)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1SCCc2ccccc21
C#CCNC(=O)c1ccccc1NC(=O)[C@H]1SCCc2ccccc21 C#CC[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@H]1SCCc2ccccc21
COC(=O)[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)N[*:1] COC(=O)[C@H](C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)NC(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
COC(=O)[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c(c1)[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 COC(=O)[*:1] C[C@H](NC(=O)c1ccc(Nc2ccccc2)c(c1)[N+](=O)[O-])[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 COC(=O)[C@H](C)[*:1] O=C(N[*:1])c1ccc(Nc2ccccc2)c(c1)[N+](=O)[O-]
O=c1[nH]c(=S)n(-c2ccc(F)cc2)c(O)c1/C=N/CCC[NH+]1CCOCC1 Fc1ccc(cc1)[*:1] O=c1[nH]c(=S)n(c(O)c1/C=N/CCC[NH+]1CCOCC1)[*:1]
CNC(=O)c1cccc(NC(=O)COc2cccc3c2CCC3=O)c1 CNC(=O)[*:1] O=C(COc1cccc2C(=O)CCc12)Nc1cccc(c1)[*:1]
Cc1ccc(CC(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)s1 Cc1ccc(s1)[*:1] O=C(NCC(F)(F)F)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccc(CC(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)s1 FC(F)(F)[*:1] Cc1ccc(CC(=O)N2CCC[C@@H](C2)C(=O)NC[*:1])s1
Cc1ccc(CC(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)s1 FC(F)(F)C[*:1] Cc1ccc(CC(=O)N2CCC[C@@H](C2)C(=O)N[*:1])s1
Cc1ccc(CC(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)s1 Cc1ccc(C[*:1])s1 O=C(NCC(F)(F)F)[C@H]1CCCN(C1)C(=O)[*:1]
CCc1nnc(CN(C)[C@H](C)c2ccco2)o1 c1coc(c1)[*:1] CCc1nnc(CN(C)[C@H](C)[*:1])o1
CC(=O)[C@@](C)(Cl)Cc1ccc(Cl)cc1 CC(=O)[*:1] C[C@@](Cl)(Cc1ccc(Cl)cc1)[*:1]
COc1ccc(CN(C)C(=O)NCc2ccc(C)s2)cc1O Cc1ccc(C[*:1])s1 COc1ccc(cc1O)CN(C)C(=O)N[*:1]
COc1ccc(CN(C)C(=O)NCc2ccc(C)s2)cc1O Cc1ccc(s1)[*:1] COc1ccc(cc1O)CN(C)C(=O)NC[*:1]
Cc1nonc1C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 Cc1nonc1[*:1] Cc1nc(nc2c1CCC(=O)N2C)[C@H]1CCCN1C(=O)[*:1]
Cc1nn(C)cc1CNC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 Cc1nn(C)cc1C[*:1] O=C(N[*:1])c1ccc(cc1)Cn1cc(Cl)c(n1)[N+](=O)[O-]
Cc1nn(C)cc1CNC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 O=[N+]([O-])c1nn(cc1Cl)[*:1] Cc1nn(C)cc1CNC(=O)c1ccc(cc1)C[*:1]
Cc1nn(C)cc1CNC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 O=[N+]([O-])[*:1] Cc1nn(C)cc1CNC(=O)c1ccc(cc1)Cn1cc(Cl)c(n1)[*:1]
Cc1nn(C)cc1CNC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 Cc1nn(C)cc1[*:1] O=C(NC[*:1])c1ccc(cc1)Cn1cc(Cl)c(n1)[N+](=O)[O-]
COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 COc1ccc(Cl)cc1[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)OC[*:1]
COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(c1)NC(=O)[*:1]
COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(c1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H]1CCN(C1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)N[C@@H]1CCN(C1)c1cccc(Cl)c1)[*:1]
Cc1cc(CNC(=O)Nc2cc(-c3ccccc3)on2)no1 Cc1cc(no1)[*:1] O=C(NC[*:1])Nc1cc(on1)-c1ccccc1
Cc1cc(CNC(=O)Nc2cc(-c3ccccc3)on2)no1 Cc1cc(C[*:1])no1 O=C(Nc1cc(on1)-c1ccccc1)N[*:1]
Cc1cc(CNC(=O)Nc2cc(-c3ccccc3)on2)no1 c1ccc(cc1)[*:1] Cc1cc(CNC(=O)Nc2cc(on2)[*:1])no1
C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1nccn1C)c1ccccc1 Cn1ccnc1[*:1] C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)[*:1])c1ccccc1
C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1nccn1C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](C(=O)N[C@H](C)[*:1])S(=O)(=O)c1nccn1C
COCCn1c(SCc2cccc(F)c2)nc2c(c1=O)SCC2 COCC[*:1] O=c1c2SCCc2nc(SCc2cccc(F)c2)n1[*:1]
COCCn1c(SCc2cccc(F)c2)nc2c(c1=O)SCC2 Fc1cccc(c1)[*:1] COCCn1c(nc2CCSc2c1=O)SC[*:1]
COCCn1c(SCc2cccc(F)c2)nc2c(c1=O)SCC2 COC[*:1] O=c1c2SCCc2nc(SCc2cccc(F)c2)n1C[*:1]
C[C@](C#N)(NC(=O)CN1CCN(c2cccc(Cl)c2)CC1)C1CC1 Clc1cccc(c1)[*:1] C[C@](C#N)(NC(=O)CN1CCN(CC1)[*:1])C1CC1
C[C@](C#N)(NC(=O)CN1CCN(c2cccc(Cl)c2)CC1)C1CC1 C1CC1[*:1] C[C@](C#N)(NC(=O)CN1CCN(CC1)c1cccc(Cl)c1)[*:1]
Cn1c(C(=O)NCCNc2ncccn2)cc(Cl)c1Cl c1cnc(nc1)[*:1] Cn1c(cc(Cl)c1Cl)C(=O)NCCN[*:1]
COCCCn1c(C)cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 Fc1ccccc1C[*:1] COCCCn1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
COCCCn1c(C)cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 Fc1ccccc1[*:1] COCCCn1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
COCCCn1c(C)cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 COC[*:1] Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CC[*:1]
COCCCn1c(C)cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 COCC[*:1] Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1C[*:1]
COCCCn1c(C)cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 COCCC[*:1] Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1[*:1]
CCCCO[C@@H](C)C(=O)N(C)C1CCS(=O)(=O)CC1 CCC[*:1] C[C@H](OC[*:1])C(=O)N(C)C1CCS(=O)(=O)CC1
CCCCO[C@@H](C)C(=O)N(C)C1CCS(=O)(=O)CC1 CCCCO[*:1] C[C@@H](C(=O)N(C)C1CCS(=O)(=O)CC1)[*:1]
CCCCO[C@@H](C)C(=O)N(C)C1CCS(=O)(=O)CC1 CCCC[*:1] C[C@H](O[*:1])C(=O)N(C)C1CCS(=O)(=O)CC1
CC(C)[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cccnc1 CS(=O)(=O)C[*:1] CC(C)[C@@H]([NH2+][C@@H](C)[*:1])c1cccnc1
CC(C)[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cccnc1 CC(C)[*:1] C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](c1cccnc1)[*:1]
CC(C)[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)[*:1]
CC(C)[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cccnc1 CS(=O)(=O)[*:1] CC(C)[C@@H]([NH2+][C@@H](C)C[*:1])c1cccnc1
Cc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1C Cc1ccc(cc1C)[*:1] CS(=O)(=O)N1CC[C@H](Oc2ccccc21)C(=O)N[*:1]
COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Cl)cc3n2)cc1Cl Clc1ccccc1[*:1] COc1ccc(cc1Cl)-n1nc2ccc(cc2n1)NC(=O)[*:1]
COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Cl)cc3n2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(Nc1ccc2nn(nc2c1)[*:1])c1ccccc1Cl
CC1(C)CN(c2nc(C(F)F)nc3ccccc23)CC[S@@]1=O FC(F)[*:1] CC1(C)CN(CC[S@@]1=O)c1nc(nc2ccccc12)[*:1]
CS[C@H]1CC[C@@H](NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)C1 CC(C)(C)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)[C@@H]1CSCN1C(=O)C[*:1]
CS[C@H]1CC[C@@H](NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)C1 CC(C)(C)C[*:1] CS[C@H]1CC[C@H](C1)NC(=O)[C@@H]1CSCN1C(=O)[*:1]
CS[C@H]1CC[C@@H](NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)C1 CS[C@H]1CC[C@@H](C1)[*:1] CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N[*:1]
O[C@@H](C[NH2+]Cc1cccc(Br)c1)COc1ccccc1 c1ccc(cc1)[*:1] O[C@@H](C[NH2+]Cc1cccc(Br)c1)CO[*:1]
COc1ccccc1CNC(=O)CS(=O)(=O)c1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] COc1ccccc1CNC(=O)CS(=O)(=O)[*:1]
COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cccc(C)c2)c1 Cc1cccc(c1)O[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)[C@H](C)[*:1]
COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cccc(C)c2)c1 COC(=O)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)Nc1cc(ccc1C)[*:1]
COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)[C@H](C)O[*:1]
COc1ccsc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 COc1ccsc1[*:1] O=S(=O)([N-]c1ncccc1-c1ccccc1)[*:1]
COc1ccsc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 c1ccc(cc1)[*:1] COc1ccsc1S(=O)(=O)[N-]c1ncccc1[*:1]
Cc1c(Oc2ccc3cn[nH]c3c2)nn2c(C(F)(F)F)nnc2c1C FC(F)(F)[*:1] Cc1c(nn2c(nnc2c1C)[*:1])Oc1ccc2cn[nH]c2c1
Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1nc(cn1CCC(=O)O[C@H](C)[*:1])[N+](=O)[O-]
Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)c1ccc(Cl)s1 O=[N+]([O-])[*:1] Cc1nc(cn1CCC(=O)O[C@H](C)c1ccc(Cl)s1)[*:1]
CCC[NH+](CCC)[C@@H]1CCC[C@H]([NH2+]C)C1 CCC[*:1] CCC[NH+]([C@@H]1CCC[C@@H](C1)[NH2+]C)[*:1]
CCNC(=O)C1CC[NH+](C2CCC(C(C)C)CC2)CC1 CCNC(=O)[*:1] CC(C)C1CCC(CC1)[NH+]1CCC(CC1)[*:1]
CCNC(=O)C1CC[NH+](C2CCC(C(C)C)CC2)CC1 CC(C)[*:1] CCNC(=O)C1CC[NH+](CC1)C1CCC(CC1)[*:1]
C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 FC(F)(F)[*:1] C[NH+](C)Cc1ccc(cc1)CNC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CCn1nc(C(C)C)cc1C(=O)NC[C@H](C)Oc1ccc(C)cc1 Cc1ccc(cc1)O[*:1] CCn1nc(cc1C(=O)NC[C@H](C)[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)NC[C@H](C)Oc1ccc(C)cc1 CC(C)[*:1] CCn1nc(cc1C(=O)NC[C@H](C)Oc1ccc(C)cc1)[*:1]
CCn1nc(C(C)C)cc1C(=O)NC[C@H](C)Oc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCn1nc(cc1C(=O)NC[C@H](C)O[*:1])C(C)C
Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(C)c(F)c2)o1 Cc1ccc(o1)[*:1] Cc1ccc(cc1F)NC(=O)C(=O)NC[C@@H](O)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cnc(s1)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 C[C@@H](CO)[*:1] C[C@@H](NC(=O)C(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
Cc1cnc2c(c1)nc([C@H](C)Cl)n2-c1cccc(C#N)c1 C[C@H](Cl)[*:1] Cc1cnc2c(c1)nc(n2-c1cccc(C#N)c1)[*:1]
Cc1ccc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cn1 Cc1ccc(cn1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)C(=O)N[*:1]
COc1cc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)cc(OC)c1OC Clc1ccc(cc1)C[*:1] COc1cc(cc(OC)c1OC)-c1nnc2sc(nn12)[*:1]
COc1cc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)cc(OC)c1OC Clc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-c1nnc2sc(C[*:1])nn12
COC(=O)c1cccc(CCNc2cncc(-n3ccnc3C)n2)c1 Cc1nccn1[*:1] COC(=O)c1cccc(c1)CCNc1cncc(n1)[*:1]
COC(=O)c1cccc(CCNc2cncc(-n3ccnc3C)n2)c1 COC(=O)[*:1] Cc1nccn1-c1cncc(n1)NCCc1cccc(c1)[*:1]
Cn1c(SCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)nnc1C(F)(F)F FC(F)(F)[*:1] Cn1c(nnc1[*:1])SCC(=O)N1CCN(CC1)Cc1c(F)cccc1Cl
Cn1c(SCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)nnc1C(F)(F)F Fc1cccc(Cl)c1[*:1] Cn1c(nnc1C(F)(F)F)SCC(=O)N1CCN(CC1)C[*:1]
Cn1c(SCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)nnc1C(F)(F)F Fc1cccc(Cl)c1C[*:1] Cn1c(nnc1C(F)(F)F)SCC(=O)N1CCN(CC1)[*:1]
CCOC(=O)c1nn(CC(C)C)c2c1CN(Cc1c[nH]c3ccccc13)CC2 CCOC(=O)[*:1] CC(C)Cn1nc(c2CN(CCc21)Cc1c[nH]c2ccccc12)[*:1]
CCOC(=O)c1nn(CC(C)C)c2c1CN(Cc1c[nH]c3ccccc13)CC2 c1ccc2c(c[nH]c2c1)[*:1] CCOC(=O)c1nn(CC(C)C)c2CCN(Cc12)C[*:1]
CCOC(=O)c1nn(CC(C)C)c2c1CN(Cc1c[nH]c3ccccc13)CC2 CC(C)C[*:1] CCOC(=O)c1nn(c2CCN(Cc12)Cc1c[nH]c2ccccc12)[*:1]
CCOC(=O)c1nn(CC(C)C)c2c1CN(Cc1c[nH]c3ccccc13)CC2 CC(C)[*:1] CCOC(=O)c1nn(C[*:1])c2CCN(Cc12)Cc1c[nH]c2ccccc12
CC(=O)Nc1cccc(OC(=O)Cc2ccc(F)cc2F)c1 CC(=O)N[*:1] O=C(Cc1ccc(F)cc1F)Oc1cccc(c1)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)C(C)(C)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)C(C)(C)c1ccccc1 CCC[*:1] CC(C)(C(=O)N[C@H]1C[C@H]1[*:1])c1ccccc1
Cc1ccc(C)c(N2CCN(C(=O)c3ccc(Cn4c(=O)[nH]c5ccccc5c4=O)cc3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(c1ccc(cc1)Cn1c(=O)[nH]c2ccccc2c1=O)N1CCN(CC1)[*:1]
CNC(=O)c1ccc(CN(C)C(=O)c2cc(OC)ccc2O)cc1 CNC(=O)[*:1] COc1ccc(O)c(c1)C(=O)N(C)Cc1ccc(cc1)[*:1]
O=C(CC1CCCCC1)N1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1 Clc1ccc(cc1)[*:1] O=C(CC1CCCCC1)N1CCN(CC1)c1nc(no1)[*:1]
O=C(CC1CCCCC1)N1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1 C1CCC(CC1)C[*:1] O=C(N1CCN(CC1)c1nc(no1)-c1ccc(Cl)cc1)[*:1]
O=C(CC1CCCCC1)N1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1 C1CCC(CC1)[*:1] O=C(C[*:1])N1CCN(CC1)c1nc(no1)-c1ccc(Cl)cc1
COc1cc(C(=O)N[C@H](c2ccccc2)c2cccnc2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[C@H](c1cccnc1)[*:1]
COc1cc(C(=O)N[C@H](c2ccccc2)c2cccnc2)cc(OC)c1OC c1cncc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[C@H](c1ccccc1)[*:1]
CC[C@H](CSC)N(C)C(=O)[C@@H](C)N(C)c1nccn2cnnc12 CC[C@H](CSC)[*:1] C[C@H](C(=O)N(C)[*:1])N(C)c1nccn2cnnc12
CC[C@H](CSC)N(C)C(=O)[C@@H](C)N(C)c1nccn2cnnc12 CSC[*:1] CC[C@H](N(C)C(=O)[C@@H](C)N(C)c1nccn2cnnc12)[*:1]
CCCC(=O)NC[C@@H]1CCCN(c2nc3ccc(OC)cc3cc2C)C1 CCC[*:1] COc1ccc2nc(c(C)cc2c1)N1CCC[C@@H](CNC(=O)[*:1])C1
CCCC(=O)NC[C@@H]1CCCN(c2nc3ccc(OC)cc3cc2C)C1 CCCC(=O)NC[*:1] COc1ccc2nc(c(C)cc2c1)N1CCC[C@H](C1)[*:1]
CCCC(=O)NC[C@@H]1CCCN(c2nc3ccc(OC)cc3cc2C)C1 CCCC(=O)N[*:1] COc1ccc2nc(c(C)cc2c1)N1CCC[C@H](C1)C[*:1]
CCC(CC)n1nccc1C(=O)O[C@@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCC(CC)n1nccc1C(=O)O[C@@H](C)[*:1]
CCC(CC)n1nccc1C(=O)O[C@@H](C)[C@H]1CCCO1 CCC(CC)[*:1] C[C@H](OC(=O)c1ccnn1[*:1])[C@H]1CCCO1
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCO)cc1 CC(=O)[*:1] COc1ccc(cc1)[C@H]1C(=C(O)C(=O)N1CCO)[*:1]
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCO)cc1 OCC[*:1] COc1ccc(cc1)[C@H]1C(C(C)=O)=C(O)C(=O)N1[*:1]
CN(C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1)[C@@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] CN(C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)[C@@H]1CCN(C1=O)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)c1cc(N2CCCC2=O)ccc1F O=C1CCCN1[*:1] Cc1ccccc1O[C@H](C)CNC(=O)c1cc(ccc1F)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)c1cc(N2CCCC2=O)ccc1F Cc1ccccc1[*:1] C[C@H](CNC(=O)c1cc(ccc1F)N1CCCC1=O)O[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)c1cc(N2CCCC2=O)ccc1F Cc1ccccc1O[*:1] C[C@H](CNC(=O)c1cc(ccc1F)N1CCCC1=O)[*:1]
Cc1nc(C)c(CCC(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)c(=O)[nH]1 Clc1cccc(c1)[*:1] Cc1nc(C)c(CCC(=O)N[C@@H]2C[C@H]2[*:1])c(=O)[nH]1
Cc1cc(C)c2c(c1)NC(=O)[C@@]2(O)CC(=O)c1cccs1 c1csc(c1)[*:1] Cc1cc(C)c2c(c1)NC(=O)[C@@]2(O)CC(=O)[*:1]
Cc1cc(C)c2c(c1)NC(=O)[C@@]2(O)CC(=O)c1cccs1 O=C(c1cccs1)[*:1] Cc1cc(C)c2c(c1)NC(=O)[C@@]2(O)C[*:1]
O=[S@@](Cc1csc(-c2ccc(F)cc2)n1)c1cccc(F)c1 Fc1ccc(cc1)[*:1] O=[S@@](Cc1csc(n1)[*:1])c1cccc(F)c1
O=[S@@](Cc1csc(-c2ccc(F)cc2)n1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=[S@@](Cc1csc(n1)-c1ccc(F)cc1)[*:1]
O=C(Cc1cn2c(nc1=O)SCC2)NCc1ccc(C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Cc1cn2CCSc2nc1=O)NCc1ccc(cc1)C(=O)N[*:1]
O=C(Cc1cn2c(nc1=O)SCC2)NCc1ccc(C(=O)Nc2ccccc2)cc1 O=C(Nc1ccccc1)[*:1] O=C(Cc1cn2CCSc2nc1=O)NCc1ccc(cc1)[*:1]
O=C(CCCc1ncc(-c2ccccc2)o1)N1CCN(CCO)CC1 OCC[*:1] O=C(CCCc1ncc(o1)-c1ccccc1)N1CCN(CC1)[*:1]
O=C(CCCc1ncc(-c2ccccc2)o1)N1CCN(CCO)CC1 c1ccc(cc1)[*:1] O=C(CCCc1ncc(o1)[*:1])N1CCN(CCO)CC1
CC[C@H](C)CN(CC)[C@@H](C[NH3+])c1ccccc1F CC[C@H](C)C[*:1] CCN([C@@H](C[NH3+])c1ccccc1F)[*:1]
CC[C@H](C)CN(CC)[C@@H](C[NH3+])c1ccccc1F CC[C@H](C)[*:1] CCN(C[*:1])[C@@H](C[NH3+])c1ccccc1F
O=[N+]([O-])c1ccc2nc(O[C@H]3CCC[NH2+]C3)cnc2c1 O=[N+]([O-])[*:1] c1cc2nc(cnc2cc1[*:1])O[C@H]1CCC[NH2+]C1
CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O Cc1cc(n(C)n1)[*:1] CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCN(C1=O)[*:1]
CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 CCNC(=O)[*:1] Cc1ccc(cc1NS(=O)(=O)c1ccc(F)cc1)[*:1]
CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CCNC(=O)c1ccc(C)c(c1)NS(=O)(=O)[*:1]
COC(=O)[C@H]1CN(Cc2ccc3ccccc3n2)C[C@@H](C)O1 COC(=O)[*:1] C[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@@H](O1)[*:1]
CCCOc1ccc(CN2CCOC(C)(C)C2)cc1OC CCCO[*:1] COc1cc(ccc1[*:1])CN1CCOC(C)(C)C1
CCCOc1ccc(CN2CCOC(C)(C)C2)cc1OC CCC[*:1] COc1cc(ccc1O[*:1])CN1CCOC(C)(C)C1
Cc1[nH+]c(NC[C@@H](C)C[C@H](C)O)ccc1I C[C@H](O)[*:1] Cc1[nH+]c(ccc1I)NC[C@@H](C)C[*:1]
Cc1[nH+]c(NC[C@@H](C)C[C@H](C)O)ccc1I C[C@H](O)C[*:1] Cc1[nH+]c(ccc1I)NC[C@@H](C)[*:1]
CC[C@@H](C)N(C)C(=O)NCc1cc(OC)c(OC)cc1Br CC[C@@H](C)[*:1] COc1cc(Br)c(cc1OC)CNC(=O)N(C)[*:1]
COc1ccccc1[C@@H](C)CC(=O)NC[C@H](C)c1cccc(C)c1 Cc1cccc(c1)[*:1] COc1ccccc1[C@@H](C)CC(=O)NC[C@H](C)[*:1]
COc1ccccc1[C@@H](C)CC(=O)NC[C@H](C)c1cccc(C)c1 COc1ccccc1[*:1] Cc1cccc(c1)[C@@H](C)CNC(=O)C[C@H](C)[*:1]
CNC(=O)CN(C)c1cc(C[NH3+])ccn1 CNC(=O)C[*:1] CN(c1cc(ccn1)C[NH3+])[*:1]
CNC(=O)CN(C)c1cc(C[NH3+])ccn1 CNC(=O)[*:1] CN(C[*:1])c1cc(ccn1)C[NH3+]
COc1ccc(CCC(=O)NCC2(O)CCSCC2)cc1F OC1(CCSCC1)[*:1] COc1ccc(cc1F)CCC(=O)NC[*:1]
COc1cc(-c2nnc(SCc3cc(C)on3)o2)cc(OC)c1OC Cc1cc(CS[*:1])no1 COc1cc(cc(OC)c1OC)-c1nnc(o1)[*:1]
COc1cc(-c2nnc(SCc3cc(C)on3)o2)cc(OC)c1OC Cc1cc(C[*:1])no1 COc1cc(cc(OC)c1OC)-c1nnc(o1)S[*:1]
COc1cc(-c2nnc(SCc3cc(C)on3)o2)cc(OC)c1OC Cc1cc(no1)[*:1] COc1cc(cc(OC)c1OC)-c1nnc(o1)SC[*:1]
O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] O=C(NCCc1cnn(c1)-c1ccccc1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1ccc(cc1)[*:1] O=C(NCCc1cnn(c1)[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] O=C(NCCc1cnn(c1)-c1ccccc1)[C@@H]1CC(=O)N(C1)C[*:1]
C/C(=N\NC(=O)CNC(=O)c1cccs1)c1ccco1 c1csc(c1)[*:1] C/C(=N\NC(=O)CNC(=O)[*:1])c1ccco1
C/C(=N\NC(=O)CNC(=O)c1cccs1)c1ccco1 c1coc(c1)[*:1] CC(=NNC(=O)CNC(=O)c1cccs1)[*:1]
Cc1nc(CCC(F)(F)F)[nH]c(=O)c1CCC(=O)[O-] O=C([O-])[*:1] Cc1nc(CCC(F)(F)F)[nH]c(=O)c1CC[*:1]
Cc1nc(CCC(F)(F)F)[nH]c(=O)c1CCC(=O)[O-] FC(F)(F)CC[*:1] Cc1nc([nH]c(=O)c1CCC(=O)[O-])[*:1]
Cc1nc(CCC(F)(F)F)[nH]c(=O)c1CCC(=O)[O-] O=C([O-])CC[*:1] Cc1nc(CCC(F)(F)F)[nH]c(=O)c1[*:1]
Cc1nc(CCC(F)(F)F)[nH]c(=O)c1CCC(=O)[O-] FC(F)(F)C[*:1] Cc1nc(C[*:1])[nH]c(=O)c1CCC(=O)[O-]
Cc1nc(CCC(F)(F)F)[nH]c(=O)c1CCC(=O)[O-] FC(F)(F)[*:1] Cc1nc(CC[*:1])[nH]c(=O)c1CCC(=O)[O-]
Cc1nc(CCC(F)(F)F)[nH]c(=O)c1CCC(=O)[O-] O=C([O-])C[*:1] Cc1nc(CCC(F)(F)F)[nH]c(=O)c1C[*:1]
CC[C@@H](O)[C@@]1(C[NH3+])CCC[C@H](C)C1 CC[C@@H](O)[*:1] C[C@H]1CCC[C@](C[NH3+])(C1)[*:1]
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 COc1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nn(-c3ccccc3)c(O)c1[C@H]2[*:1]
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nn(c(O)c21)[*:1]
Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1
Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] c1ccc(cc1)C[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NC[C@@H]1CC(=O)N(C1)C[*:1]
CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Br)cc1 CCOC(=O)[*:1] CC1N=C2SCCC(=O)N2[C@@H](C=1[*:1])c1ccc(Br)cc1
CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1[*:1]
COc1ccc(-c2cc3c(N4CCC[C@@H](C(=O)[O-])C4)nccn3n2)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)-c1cc2c(nccn2n1)N1CCC[C@@H](C1)[*:1]
COc1ccc(N2CCN(C(=O)CCc3n[nH]c(C)n3)CC2=O)cc1 Cc1nc(CC[*:1])n[nH]1 COc1ccc(cc1)N1CCN(CC1=O)C(=O)[*:1]
COc1ccc(N2CCN(C(=O)CCc3n[nH]c(C)n3)CC2=O)cc1 Cc1nc(n[nH]1)[*:1] COc1ccc(cc1)N1CCN(CC1=O)C(=O)CC[*:1]
COc1ccc(N2CCN(C(=O)CCc3n[nH]c(C)n3)CC2=O)cc1 Cc1nc(C[*:1])n[nH]1 COc1ccc(cc1)N1CCN(CC1=O)C(=O)C[*:1]
COc1ccc(N2CCN(C(=O)CCc3n[nH]c(C)n3)CC2=O)cc1 COc1ccc(cc1)[*:1] Cc1nc(CCC(=O)N2CCN(C(=O)C2)[*:1])n[nH]1
Cc1cc(=N)n(/C(Nc2ccc(Cl)c(Cl)c2)=[NH+]/C(C)C)s1 CC(C)[*:1] Cc1cc(=N)n(s1)C(Nc1ccc(Cl)c(Cl)c1)=[NH+][*:1]
CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccoc1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)[C@@H]1CSCN1C(=O)c1ccoc1
CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccoc1 CC(C)CC[*:1] C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccoc1)[*:1]
CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccoc1 CC(C)CC[C@@H](C)[*:1] O=C(N[*:1])[C@@H]1CSCN1C(=O)c1ccoc1
CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccoc1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1CSCN1C(=O)c1ccoc1
CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccoc1 c1cc(co1)[*:1] CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)[*:1]
C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 FC(F)(F)[*:1] C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cc(ccc1-n1cncn1)[*:1]
C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 c1ncn(n1)[*:1] C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CCn1cc(C(=O)N[C@@H](C)COc2ccccc2OC)cn1 CCn1cc(cn1)[*:1] COc1ccccc1OC[C@H](C)NC(=O)[*:1]
CCCCc1cc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)[nH]n1 CCCC[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)[*:1]
CCCCc1cc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)[nH]n1 CCC[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)Nc1cc(C[*:1])n[nH]1
CCC[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)C[C@@H]1[NH3+] CCC[*:1] [NH3+][C@H]1CN(C[C@@H]1[*:1])C(=O)C1(CC1)c1ccc(Cl)cc1
CCC[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)C[C@@H]1[NH3+] Clc1ccc(cc1)[*:1] CCC[C@H]1CN(C[C@@H]1[NH3+])C(=O)C1(CC1)[*:1]
C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 C=CC[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@H]1CC(=NO1)c1cccc(F)c1
C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=NO1)[*:1]
C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 C=CCNC(=O)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CC(=NO1)c1cccc(F)c1
CC(C)(CNC(=O)NCc1ccc(OC2CCCC2)nc1)N1CCOCC1 CC(C)(N1CCOCC1)[*:1] O=C(NCc1ccc(nc1)OC1CCCC1)NC[*:1]
CC(C)(CNC(=O)NCc1ccc(OC2CCCC2)nc1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)NCc1ccc(nc1)OC1CCCC1)[*:1]
CC(C)(CNC(=O)NCc1ccc(OC2CCCC2)nc1)N1CCOCC1 C1CCC(C1)O[*:1] CC(C)(CNC(=O)NCc1ccc(nc1)[*:1])N1CCOCC1
CC(C)(CNC(=O)NCc1ccc(OC2CCCC2)nc1)N1CCOCC1 C1CCC(C1)[*:1] CC(C)(CNC(=O)NCc1ccc(nc1)O[*:1])N1CCOCC1
O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC12CC3CC(CC(C3)C1)C2 C1CC1[*:1] O=C(Cn1nc(cc1[*:1])C(F)(F)F)NC12CC3CC(CC(C3)C1)C2
O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC12CC3CC(CC(C3)C1)C2 FC(F)(F)[*:1] O=C(Cn1nc(cc1C1CC1)[*:1])NC12CC3CC(CC(C3)C1)C2
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1O)NCc1ccco1 c1coc(c1)[*:1] O=C(CNC(=O)c1ccc(Cl)c(Cl)c1O)NC[*:1]
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1O)NCc1ccco1 c1coc(c1)C[*:1] O=C(CNC(=O)c1ccc(Cl)c(Cl)c1O)N[*:1]
C[C@H](Oc1ccccc1)C(=O)NCC#CCOc1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@H](Oc1ccccc1)C(=O)NCC#CCO[*:1]
C[C@H](Oc1ccccc1)C(=O)NCC#CCOc1cccc(Br)c1 Brc1cccc(c1)O[*:1] C[C@H](Oc1ccccc1)C(=O)NCC#CC[*:1]
C[C@H](Oc1ccccc1)C(=O)NCC#CCOc1cccc(Br)c1 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NCC#CCOc1cccc(Br)c1
C[C@H](Oc1ccccc1)C(=O)NCC#CCOc1cccc(Br)c1 c1ccc(cc1)O[*:1] C[C@H](C(=O)NCC#CCOc1cccc(Br)c1)[*:1]
CCC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CCO1 CCC[*:1] O=C([C@@H]1CCCN1C(=O)c1cccs1)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CCO1 c1csc(c1)[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
CC[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] CC[C@H](C)N[*:1] O=[N+]([O-])c1cc(ccc1[*:1])C(F)(F)F
CC[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] CC[C@H](C)Nc1ccc(cc1[N+](=O)[O-])[*:1]
CC[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] CC[C@H](C)[*:1] O=[N+]([O-])c1cc(ccc1N[*:1])C(F)(F)F
CC[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H](C)Nc1ccc(cc1[*:1])C(F)(F)F
CN(Cc1c(F)cccc1Cl)C(=O)COc1cccnc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(Cc1c(F)cccc1Cl)C(=O)COc1cccnc1[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)COc1cccnc1[N+](=O)[O-] Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)COc1cccnc1[N+](=O)[O-]
C[C@H](CCn1cncn1)[NH2+]Cc1ccn(C2CCCC2)n1 c1ncn(CC[*:1])n1 C[C@H]([NH2+]Cc1ccn(n1)C1CCCC1)[*:1]
C[C@H](CCn1cncn1)[NH2+]Cc1ccn(C2CCCC2)n1 c1ncn(C[*:1])n1 C[C@H](C[*:1])[NH2+]Cc1ccn(n1)C1CCCC1
C[C@H](CCn1cncn1)[NH2+]Cc1ccn(C2CCCC2)n1 c1ncn(n1)[*:1] C[C@H](CC[*:1])[NH2+]Cc1ccn(n1)C1CCCC1
C[C@H](CCn1cncn1)[NH2+]Cc1ccn(C2CCCC2)n1 C1CCC(C1)[*:1] C[C@H](CCn1cncn1)[NH2+]Cc1ccn(n1)[*:1]
CCO[C@H]1C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1(C)C CS(=O)(=O)C[*:1] CCO[C@H]1C[C@@H](NC(=O)N[C@@H](c2ccccc2)[*:1])C1(C)C
CCO[C@H]1C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1(C)C CS(=O)(=O)[*:1] CCO[C@H]1C[C@@H](NC(=O)N[C@@H](C[*:1])c2ccccc2)C1(C)C
CCO[C@H]1C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1(C)C c1ccc(cc1)[*:1] CCO[C@H]1C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)[*:1])C1(C)C
CCO[C@H]1C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1(C)C CCO[*:1] CC1(C)[C@H](C[C@H]1NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[*:1]
CCC([NH3+])(CC)CN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC([NH3+])(CC)CN1CCN(CC1)[*:1]
COc1ccc(OC)c(NC(=O)Cc2csc(-c3cccc(F)c3)n2)c1 Fc1cccc(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)Cc1csc(n1)[*:1]
CC(C)[NH+](C)CCNCc1cnc(-c2cccs2)s1 CC(C)[*:1] C[NH+](CCNCc1cnc(s1)-c1cccs1)[*:1]
CC(C)[NH+](C)CCNCc1cnc(-c2cccs2)s1 c1csc(c1)[*:1] CC(C)[NH+](C)CCNCc1cnc(s1)[*:1]
CCc1nc(Cl)c(C)c(N2CC[C@H](COC)C2)n1 COC[*:1] CCc1nc(Cl)c(C)c(n1)N1CC[C@H](C1)[*:1]
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 Clc1cccc(c1)[*:1] Cn1c2NC3CC(C)(C)CC(=O)C=3[C@@H](c2c(=O)n(C)c1=O)[*:1]
Cc1ccccc1[C@H](C)NC(=O)NCc1cccc(Cn2ccnc2C)c1 Cc1nccn1[*:1] Cc1ccccc1[C@H](C)NC(=O)NCc1cccc(c1)C[*:1]
Cc1ccccc1[C@H](C)NC(=O)NCc1cccc(Cn2ccnc2C)c1 Cc1ccccc1[*:1] Cc1nccn1Cc1cccc(c1)CNC(=O)N[C@@H](C)[*:1]
Cc1ccccc1[C@H](C)NC(=O)NCc1cccc(Cn2ccnc2C)c1 Cc1ccccc1[C@H](C)[*:1] Cc1nccn1Cc1cccc(c1)CNC(=O)N[*:1]
Cc1ccccc1[C@H](C)NC(=O)NCc1cccc(Cn2ccnc2C)c1 Cc1nccn1C[*:1] Cc1ccccc1[C@H](C)NC(=O)NCc1cccc(c1)[*:1]
CN1C(=O)[C@H](Cc2ccccc2)Sc2ccc(N)cc21 c1ccc(cc1)[*:1] CN1C(=O)[C@H](C[*:1])Sc2ccc(N)cc21
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)[*:1]
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 C1CC1[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1[*:1])c1ccccc1
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] c1ccc2c(c[nH]c2c1)-c1nnc(S[*:1])n1C1CC1
COC[C@@](C)(O)CNC(=O)C(=O)NCC(C)C CC(C)C[*:1] COC[C@@](C)(O)CNC(=O)C(=O)N[*:1]
COC[C@@](C)(O)CNC(=O)C(=O)NCC(C)C CC(C)[*:1] COC[C@@](C)(O)CNC(=O)C(=O)NC[*:1]
COC[C@@](C)(O)CNC(=O)C(=O)NCC(C)C COC[*:1] CC(C)CNC(=O)C(=O)NC[C@@](C)(O)[*:1]
O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]([NH+]2CCCC2)C1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(NC[*:1])N1CCC[C@@H](C1)[NH+]1CCCC1
COc1ccc2c(c1)N(C(=O)C[C@H](C)c1cccc(F)c1)CCO2 Fc1cccc(c1)[*:1] COc1ccc2OCCN(C(=O)C[C@H](C)[*:1])c2c1
C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H]([NH2+]CC1(CCO)CCCCC1)[*:1]
C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cccnc1 OCC[*:1] C[C@@H]([NH2+]CC1(CCCCC1)[*:1])c1cccnc1
COc1cccc(CSCc2csc(-c3ccco3)n2)c1 c1coc(c1)[*:1] COc1cccc(c1)CSCc1csc(n1)[*:1]
CS(=O)(=O)N1C[C@H](C(N)=O)Oc2ccccc21 NC(=O)[*:1] CS(=O)(=O)N1C[C@H](Oc2ccccc21)[*:1]
Cc1ccc(NC(=O)CNc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)NCC(=O)N[*:1]
Cc1cnn(CCCCC[NH+]2CCN(c3ccc(O)cc3)CC2)c1 Cc1cnn(c1)[*:1] Oc1ccc(cc1)N1CC[NH+](CCCCC[*:1])CC1
Cc1cnn(CCCCC[NH+]2CCN(c3ccc(O)cc3)CC2)c1 Cc1cnn(c1)C[*:1] Oc1ccc(cc1)N1CC[NH+](CCCC[*:1])CC1
Cc1cnn(CCCCC[NH+]2CCN(c3ccc(O)cc3)CC2)c1 Cc1cnn(c1)CC[*:1] Oc1ccc(cc1)N1CC[NH+](CCC[*:1])CC1
Cc1cnn(CCCCC[NH+]2CCN(c3ccc(O)cc3)CC2)c1 Oc1ccc(cc1)[*:1] Cc1cnn(c1)CCCCC[NH+]1CCN(CC1)[*:1]
CCOc1ccc(-c2noc(-c3nnn(-c4cccc(Cl)c4)c3N)n2)cc1 CCO[*:1] Nc1c(nnn1-c1cccc(Cl)c1)-c1nc(no1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2noc(-c3nnn(-c4cccc(Cl)c4)c3N)n2)cc1 CCOc1ccc(cc1)[*:1] Nc1c(nnn1-c1cccc(Cl)c1)-c1nc(no1)[*:1]
CCOc1ccc(-c2noc(-c3nnn(-c4cccc(Cl)c4)c3N)n2)cc1 Clc1cccc(c1)[*:1] CCOc1ccc(cc1)-c1noc(n1)-c1nnn(c1N)[*:1]
CCc1ccc(CC(=O)C(C)(C)OC)s1 COC(C)(C)[*:1] CCc1ccc(CC(=O)[*:1])s1
COC(=O)[C@@H](C)CNC(=O)Nc1ccc(C)cc1C COC(=O)[C@@H](C)[*:1] Cc1ccc(NC(=O)NC[*:1])c(C)c1
COC(=O)[C@@H](C)CNC(=O)Nc1ccc(C)cc1C COC(=O)[*:1] Cc1ccc(NC(=O)NC[C@H](C)[*:1])c(C)c1
COc1cc(C)ccc1NCc1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] COc1cc(C)ccc1NCc1ccn(n1)[*:1]
COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)Cc2cnccn2)[C@H]3C1=O COCC[*:1] CN(Cc1cnccn1)C(=O)[C@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)[*:1])O2
COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)Cc2cnccn2)[C@H]3C1=O c1cnc(cn1)[*:1] COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)C[*:1])[C@H]3C1=O
COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)Cc2cnccn2)[C@H]3C1=O COC[*:1] CN(Cc1cnccn1)C(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[*:1])C(=O)[C@H]13)O2
COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)Cc2cnccn2)[C@H]3C1=O c1cnc(cn1)C[*:1] COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)[*:1])[C@H]3C1=O
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1(C(N)=O)CCCC1 NC(=O)[*:1] Cc1nc(sc1C(=O)NC1(CCCC1)[*:1])-c1ccc(F)cc1
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1(C(N)=O)CCCC1 NC(=O)C1(CCCC1)[*:1] Cc1nc(sc1C(=O)N[*:1])-c1ccc(F)cc1
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1(C(N)=O)CCCC1 Fc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NC1(CCCC1)C(N)=O)[*:1]
O=C(OCc1ccccn1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 c1ccc(nc1)[*:1] O=C(OC[*:1])c1cccc(c1)S(=O)(=O)N1CCCCCC1
O=C(OCc1ccccn1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 c1ccc(C[*:1])nc1 O=C(O[*:1])c1cccc(c1)S(=O)(=O)N1CCCCCC1
O=C(Cc1cccc(F)c1)NCC(=O)N1CCCCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(Cc1cccc(F)c1)NCC(=O)N1CCCCC[C@H]1[*:1]
O=C(Cc1cccc(F)c1)NCC(=O)N1CCCCC[C@@H]1c1ccncc1 Fc1cccc(c1)[*:1] O=C(C[*:1])NCC(=O)N1CCCCC[C@@H]1c1ccncc1
O=C(Cc1cccc(F)c1)NCC(=O)N1CCCCC[C@@H]1c1ccncc1 Fc1cccc(c1)C[*:1] O=C(CNC(=O)[*:1])N1CCCCC[C@@H]1c1ccncc1
O=C(NCc1ccccc1)C1=C2CCCC[C@@H]2S[C@@H]1NC(=O)[C@@H]1C=C(c2ccccc2O)N=N1 Oc1ccccc1[*:1] O=C(NCc1ccccc1)C1=C2CCCC[C@@H]2S[C@@H]1NC(=O)[C@@H]1C=C(N=N1)[*:1]
O=C(NCc1ccccc1)C1=C2CCCC[C@@H]2S[C@@H]1NC(=O)[C@@H]1C=C(c2ccccc2O)N=N1 c1ccc(cc1)[*:1] O=C(NC[*:1])C1=C2CCCC[C@@H]2S[C@@H]1NC(=O)[C@@H]1C=C(N=N1)c1ccccc1O
O=C(NCc1ccccc1)C1=C2CCCC[C@@H]2S[C@@H]1NC(=O)[C@@H]1C=C(c2ccccc2O)N=N1 O=C(NCc1ccccc1)[*:1] O=C(N[C@H]1S[C@H]2CCCCC2=C1[*:1])[C@@H]1C=C(N=N1)c1ccccc1O
O=C(NCc1ccccc1)C1=C2CCCC[C@@H]2S[C@@H]1NC(=O)[C@@H]1C=C(c2ccccc2O)N=N1 c1ccc(cc1)C[*:1] O=C(N[*:1])C1=C2CCCC[C@@H]2S[C@@H]1NC(=O)[C@@H]1C=C(N=N1)c1ccccc1O
C[NH2+]Cc1cc(Cl)cc(Cl)c1O[C@@H](C)[C@H](C)O C[C@H](O)[C@H](C)[*:1] C[NH2+]Cc1cc(Cl)cc(Cl)c1O[*:1]
C[NH2+]Cc1cc(Cl)cc(Cl)c1O[C@@H](C)[C@H](C)O C[C@H](O)[*:1] C[NH2+]Cc1cc(Cl)cc(Cl)c1O[C@@H](C)[*:1]
CC(C)[C@@H](CO)Nc1ccc(N)cc1Br CC(C)[*:1] Nc1ccc(N[C@H](CO)[*:1])c(Br)c1
CCOc1c(Br)cc(Br)cc1/C=C/C[NH2+]C CCO[*:1] C[NH2+]C/C=C/c1cc(Br)cc(Br)c1[*:1]
C[C@H](CC(=O)N1CCC(C(=O)[O-])CC1)N1C(=O)c2ccccc2C1=O O=C([O-])[*:1] C[C@H](CC(=O)N1CCC(CC1)[*:1])N1C(=O)c2ccccc2C1=O
CC(=O)N[C@@H](C)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1 CC(=O)N[*:1] Cc1ccc(cc1C)OCCn1c(nc2ccccc21)[C@H](C)[*:1]
CC(=O)N[C@@H](C)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CC(=O)N[C@@H](C)c1nc2ccccc2n1CCO[*:1]
C[C@H]([NH2+][C@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc2c(c1)OCCO2 Fc1ccc(F)c(c1)[*:1] C[C@H]([NH2+][C@H](C)C(=O)N[*:1])c1ccc2OCCOc2c1
COc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2)cc1S(N)(=O)=O Cc1ccc(cc1)[*:1] COc1ccc(cc1S(N)(=O)=O)CC[NH2+][C@H](C)[*:1]
COc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])CC[NH2+][C@H](C)c1ccc(C)cc1
C=C(Cl)Cc1ccc(C#N)cc1 C=C(Cl)[*:1] N#Cc1ccc(cc1)C[*:1]
C=C(Cl)Cc1ccc(C#N)cc1 C=C(Cl)C[*:1] N#Cc1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@H](C)NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)Cc1ccc(cc1)[C@H](C)NC(=O)[*:1]
CC(C)Cc1ccc([C@H](C)NC(=O)c2ccccc2)cc1 CC(C)C[*:1] C[C@H](NC(=O)c1ccccc1)c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@H](C)NC(=O)c2ccccc2)cc1 CC(C)[*:1] C[C@H](NC(=O)c1ccccc1)c1ccc(cc1)C[*:1]
Cn1nncc1C[NH+](CC1CCCCC1)C1CC1 Cn1nncc1[*:1] C1CCC(CC1)C[NH+](C[*:1])C1CC1
Cn1nncc1C[NH+](CC1CCCCC1)C1CC1 C1CCC(CC1)[*:1] Cn1nncc1C[NH+](C[*:1])C1CC1
Cn1nncc1C[NH+](CC1CCCCC1)C1CC1 C1CC1[*:1] Cn1nncc1C[NH+](CC1CCCCC1)[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)N[C@@H](C(=O)[O-])C(C)C O=C([O-])[*:1] CC(C)C[C@H](NC(N)=O)C(=O)N[C@@H](C(C)C)[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)N[C@@H](C(=O)[O-])C(C)C NC(=O)N[*:1] CC(C)C[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)N[C@@H](C(=O)[O-])C(C)C CC(C)[*:1] CC(C)[C@@H](NC(=O)[C@H](C[*:1])NC(N)=O)C(=O)[O-]
CC(C)C[C@H](NC(N)=O)C(=O)N[C@@H](C(=O)[O-])C(C)C CC(C)C[*:1] CC(C)[C@@H](NC(=O)[C@@H](NC(N)=O)[*:1])C(=O)[O-]
CC(C)C[C@H](NC(N)=O)C(=O)N[C@@H](C(=O)[O-])C(C)C CC(C)[*:1] CC(C)C[C@H](NC(N)=O)C(=O)N[C@@H](C(=O)[O-])[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NCc2ccccc2)nc1 c1ccc(cc1)CN[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)c1ccc(nc1)[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NCc2ccccc2)nc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)c1ccc(nc1)NC[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NCc2ccccc2)nc1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)c1ccc(nc1)N[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NCc2ccccc2)nc1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(nc1)NCc1ccccc1
Cc1cccn2c(=O)c(C(=O)N(C)[C@H](c3ccccc3)C(C)C)cnc12 c1ccc(cc1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(C)[C@H](C(C)C)[*:1]
Cc1cccn2c(=O)c(C(=O)N(C)[C@H](c3ccccc3)C(C)C)cnc12 CC(C)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(C)[C@H](c1ccccc1)[*:1]
COCc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 CC(=O)N[*:1] COCc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
COCc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 COC[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CCS(=O)(=O)CCSc1nnnn1-c1ccccc1OC CCS(=O)(=O)[*:1] COc1ccccc1-n1nnnc1SCC[*:1]
CCS(=O)(=O)CCSc1nnnn1-c1ccccc1OC CCS(=O)(=O)C[*:1] COc1ccccc1-n1nnnc1SC[*:1]
CCS(=O)(=O)CCSc1nnnn1-c1ccccc1OC CCS(=O)(=O)CC[*:1] COc1ccccc1-n1nnnc1S[*:1]
CCn1ccnc(NCC[C@@H](O)C(C)C)c1=O CC(C)[C@H](O)[*:1] CCn1ccnc(NCC[*:1])c1=O
CCn1ccnc(NCC[C@@H](O)C(C)C)c1=O CC(C)[*:1] CCn1ccnc(NCC[C@@H](O)[*:1])c1=O
Cc1cccc(NC(=O)C(=O)NCCC(=O)Nc2ccccc2)c1Cl Cc1cccc(c1Cl)[*:1] O=C(CCNC(=O)C(=O)N[*:1])Nc1ccccc1
Cc1cccc(NC(=O)C(=O)NCCC(=O)Nc2ccccc2)c1Cl c1ccc(cc1)[*:1] Cc1cccc(NC(=O)C(=O)NCCC(=O)N[*:1])c1Cl
CCn1cc([C@H]2OCC[C@@H]2C[NH2+]C/C(C)=C/c2ccccc2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)[C@H]1OCC[C@@H]1C[NH2+]CC(C)=C[*:1]
CCn1cc([C@H]2OCC[C@@H]2C[NH2+]C/C(C)=C/c2ccccc2)cn1 CCn1cc(cn1)[*:1] C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CCO[C@@H]1[*:1]
CCN(CC(N)=S)C(=O)OC(C)(C)C NC(=S)C[*:1] CCN(C(=O)OC(C)(C)C)[*:1]
CCN(CC(N)=S)C(=O)OC(C)(C)C NC(=S)[*:1] CCN(C[*:1])C(=O)OC(C)(C)C
CCN(CC(N)=S)C(=O)OC(C)(C)C CC(C)(C)[*:1] CCN(CC(N)=S)C(=O)O[*:1]
CCS(=O)(=O)CC[C@@H](CCl)c1cccc(Br)c1 CCS(=O)(=O)[*:1] ClC[C@H](CC[*:1])c1cccc(Br)c1
Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1S(=O)(=O)N1CCC(C)CC1)S(=O)(=O)[*:1]
CCC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2F)c1 Fc1ccccc1[*:1] CCC(C)(C)[NH2+]Cc1cccc(c1)OC[*:1]
CCc1ccccc1NC(=O)CCc1cc(C(C)=O)c(C)o1 CC(=O)[*:1] CCc1ccccc1NC(=O)CCc1cc(c(C)o1)[*:1]
Cc1n[nH]c(=S)n(/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1=O Clc1ccc(cc1Cl)[*:1] Cc1n[nH]c(=S)n(/N=C\c2ccc(o2)[*:1])c1=O
C[C@H](O)[C@H](C)[C@H](C(=O)[O-])c1ccccc1Br O=C([O-])[*:1] C[C@H](O)[C@H](C)[C@H](c1ccccc1Br)[*:1]
C[C@H](O)[C@H](C)[C@H](C(=O)[O-])c1ccccc1Br C[C@H](O)[C@H](C)[*:1] O=C([O-])[C@H](c1ccccc1Br)[*:1]
C[C@H](O)[C@H](C)[C@H](C(=O)[O-])c1ccccc1Br C[C@H](O)[*:1] C[C@H]([C@H](C(=O)[O-])c1ccccc1Br)[*:1]
CC[C@H]1CCc2c(sc(NC(=O)Nc3cccc(Cl)c3)c2C(N)=O)C1 Clc1cccc(c1)[*:1] CC[C@H]1CCc2c(C1)sc(NC(=O)N[*:1])c2C(N)=O
CC[C@H]1CCc2c(sc(NC(=O)Nc3cccc(Cl)c3)c2C(N)=O)C1 NC(=O)[*:1] CC[C@H]1CCc2c(C1)sc(NC(=O)Nc1cccc(Cl)c1)c2[*:1]
CC(C)(C)c1nc2cc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)ccc2o1 CC(C)(C)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)Nc1ccc2oc(nc2c1)[*:1]
Cc1cccnc1C[C@@H](N[C@H]1CCSc2ccccc21)C(F)(F)F Cc1cccnc1C[*:1] FC(F)(F)[C@H](N[C@H]1CCSc2ccccc21)[*:1]
Cc1cccnc1C[C@@H](N[C@H]1CCSc2ccccc21)C(F)(F)F Cc1cccnc1[*:1] FC(F)(F)[C@@H](C[*:1])N[C@H]1CCSc2ccccc21
Cc1cccnc1C[C@@H](N[C@H]1CCSc2ccccc21)C(F)(F)F FC(F)(F)[*:1] Cc1cccnc1C[C@@H](N[C@H]1CCSc2ccccc21)[*:1]
CCOc1ccc(CN2CC[NH2+][C@H](C(=O)[O-])C2)c(OCC)c1C CCO[*:1] CCOc1ccc(CN2CC[NH2+][C@@H](C2)C(=O)[O-])c(c1C)[*:1]
CCOc1ccc(CN2CC[NH2+][C@H](C(=O)[O-])C2)c(OCC)c1C CCO[*:1] CCOc1c(ccc(c1C)[*:1])CN1CC[NH2+][C@@H](C1)C(=O)[O-]
NC(=O)c1cc(OC2CCN(Cc3nccn3C(F)F)CC2)ccn1 FC(F)n1ccnc1[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)C[*:1]
NC(=O)c1cc(OC2CCN(Cc3nccn3C(F)F)CC2)ccn1 NC(=O)[*:1] FC(F)n1ccnc1CN1CCC(CC1)Oc1ccnc(c1)[*:1]
NC(=O)c1cc(OC2CCN(Cc3nccn3C(F)F)CC2)ccn1 FC(F)[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)Cc1nccn1[*:1]
N#Cc1c(F)ccc(NC(=O)Nc2ccc(Cl)cc2)c1F Clc1ccc(cc1)[*:1] N#Cc1c(F)ccc(NC(=O)N[*:1])c1F
CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)OCCCO2 CC(C)C[*:1] O=S1(=O)CC[C@@H](C1)N(S(=O)(=O)c1ccc2OCCCOc2c1)[*:1]
CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)OCCCO2 CC(C)[*:1] O=S1(=O)CC[C@@H](C1)N(C[*:1])S(=O)(=O)c1ccc2OCCCOc2c1
[NH3+][C@@H](CO)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] [NH3+][C@@H](CO)c1cc(cc(c1[O-])[*:1])C(F)(F)F
[NH3+][C@@H](CO)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1[O-] FC(F)(F)[*:1] [NH3+][C@@H](CO)c1cc(cc(c1[O-])[N+](=O)[O-])[*:1]
O=[N+]([O-])c1ccc(N[C@H]2C[C@H]3CCCc4cccc2c43)nc1 O=[N+]([O-])[*:1] c1cc2CCC[C@@H]3C[C@H](Nc4ccc(cn4)[*:1])c(c1)c23
COc1ccnc(NNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 c1ccc(cc1)[*:1] COc1ccnc(n1)NNC(=O)NC[C@H]([NH+](C)C)[*:1]
COc1ccnc(NNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 COc1ccnc(n1)[*:1] C[NH+](C)[C@H](CNC(=O)NN[*:1])c1ccccc1
COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(C[NH+]2CCCCC2)cc1=O c1cc2OCOc2cc1[*:1] COc1cn(CC(=O)NC[*:1])c(cc1=O)C[NH+]1CCCCC1
COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(C[NH+]2CCCCC2)cc1=O c1cc2OCOc2cc1C[*:1] COc1cn(CC(=O)N[*:1])c(cc1=O)C[NH+]1CCCCC1
O=C(NCCCc1cccc(F)c1)C(=O)Nc1cnc2ccccc2c1 Fc1cccc(c1)C[*:1] O=C(NCC[*:1])C(=O)Nc1cnc2ccccc2c1
O=C(NCCCc1cccc(F)c1)C(=O)Nc1cnc2ccccc2c1 Fc1cccc(c1)[*:1] O=C(NCCC[*:1])C(=O)Nc1cnc2ccccc2c1
CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1c(F)cccc1F c1ccc(cc1)[*:1] CC[C@@H](C[*:1])[NH2+]C[C@@H](O)c1c(F)cccc1F
CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1c(F)cccc1F c1ccc(cc1)C[*:1] CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)[*:1]
O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)N[*:1]
O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1[*:1])Nc1ccc2OCOc2c1
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnn(C)c3)cc2)ncn1 COc1cc(ncn1)[*:1] Cn1cc(cn1)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnn(C)c3)cc2)ncn1 Cn1cc(cn1)C(=O)N[*:1] COc1cc(ncn1)NS(=O)(=O)c1ccc(cc1)[*:1]
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnn(C)c3)cc2)ncn1 Cn1cc(cn1)[*:1] COc1cc(ncn1)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1nn(C)c2ncc(NC(=O)C(=O)NC3CCC(C)(C)CC3)cc12 CC1(C)CCC(CC1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)C(=O)N[*:1]
CC(C)Cn1ncc2cc(C(=O)N3CCOC[C@@H]3C(N)=O)cnc21 CC(C)[*:1] NC(=O)[C@H]1COCCN1C(=O)c1cnc2c(cnn2C[*:1])c1
CC(C)Cn1ncc2cc(C(=O)N3CCOC[C@@H]3C(N)=O)cnc21 NC(=O)[*:1] CC(C)Cn1ncc2cc(cnc21)C(=O)N1CCOC[C@H]1[*:1]
CC(C)Cn1ncc2cc(C(=O)N3CCOC[C@@H]3C(N)=O)cnc21 CC(C)C[*:1] NC(=O)[C@H]1COCCN1C(=O)c1cnc2c(cnn2[*:1])c1
COC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(C)cn23)n(C)c1=O COC(=O)CC[*:1] Cc1ccc(cc1C)-n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
COC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(C)cn23)n(C)c1=O COC(=O)C[*:1] Cc1ccc(cc1C)-n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
COC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(C)cn23)n(C)c1=O COC(=O)[*:1] Cc1ccc(cc1C)-n1c(C)cn2c3c(=O)n(CC[*:1])c(=O)n(C)c3nc12
COC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(C)cn23)n(C)c1=O Cc1ccc(cc1C)[*:1] COC(=O)CCn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
Cc1cccc2c(=O)n(CCC(=O)N(C)[C@@H](C)Cc3ccsc3)cnc12 c1cc(cs1)C[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)N(C)[C@@H](C)[*:1]
Cc1cccc2c(=O)n(CCC(=O)N(C)[C@@H](C)Cc3ccsc3)cnc12 c1cc(cs1)[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)N(C)[C@@H](C)C[*:1]
Cn1ccnc1SCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 Cn1ccnc1[*:1] O=C(CS[*:1])N1CCC(CC1)C(=O)N1CCCCCC1
Cn1ccnc1SCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 Cn1ccnc1S[*:1] O=C(C[*:1])N1CCC(CC1)C(=O)N1CCCCCC1
Cn1ccnc1SCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 Cn1ccnc1SC[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCCCCC1
CCCc1c(CCl)cnn1C CCC[*:1] Cn1ncc(CCl)c1[*:1]
CCOc1cc2c(cc1NC(=O)[C@@H](C)NC(=O)C(C)(C)C)O[C@H](C)C2 CC(C)(C)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)[C@@H](C)NC(=O)[*:1]
CCOc1cc2c(cc1NC(=O)[C@@H](C)NC(=O)C(C)(C)C)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)[*:1]
CCOc1cc2c(cc1NC(=O)[C@@H](C)NC(=O)C(C)(C)C)O[C@H](C)C2 CC(C)(C)C(=O)N[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)[C@@H](C)[*:1]
COc1ccc(-c2cc(C(=O)NCC(F)(F)F)c3ccccc3n2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)-c1cc(C(=O)NC[*:1])c2ccccc2n1
COc1ccc(-c2cc(C(=O)NCC(F)(F)F)c3ccccc3n2)cc1OC FC(F)(F)C[*:1] COc1ccc(cc1OC)-c1cc(C(=O)N[*:1])c2ccccc2n1
COc1ccc(-c2cc(C(=O)NCC(F)(F)F)c3ccccc3n2)cc1OC O=C(NCC(F)(F)F)[*:1] COc1ccc(cc1OC)-c1cc(c2ccccc2n1)[*:1]
CCCSc1nc(COc2ccc(Cl)cc2)n[nH]1 CCC[*:1] Clc1ccc(cc1)OCc1n[nH]c(n1)S[*:1]
CCCSc1nc(COc2ccc(Cl)cc2)n[nH]1 CCCS[*:1] Clc1ccc(cc1)OCc1n[nH]c(n1)[*:1]
CCCC[C@@H]1NC(=O)N(Cc2noc(C3CC3)n2)C1=O CCC[*:1] O=C1N[C@@H](C[*:1])C(=O)N1Cc1noc(n1)C1CC1
CCCC[C@@H]1NC(=O)N(Cc2noc(C3CC3)n2)C1=O C1CC1[*:1] CCCC[C@@H]1NC(=O)N(Cc2noc(n2)[*:1])C1=O
CCCC[C@@H]1NC(=O)N(Cc2noc(C3CC3)n2)C1=O CCCC[*:1] O=C1N[C@H](C(=O)N1Cc1noc(n1)C1CC1)[*:1]
Cc1cc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)n1C1CC1 O=[N+]([O-])[*:1] Cc1cc(C(=O)COC(=O)c2cc3OCOc3cc2[*:1])c(C)n1C1CC1
Cc1cc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)COC(=O)c2cc3OCOc3cc2[N+](=O)[O-])c(C)n1[*:1]
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1 COc1ccc(F)cc1[*:1] O=C(NCCN1CCOCC1)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1 C1CN(CCO1)[*:1] COc1ccc(F)cc1S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1 C1CN(CCO1)CC[*:1] COc1ccc(F)cc1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1 C1CN(CCO1)C[*:1] COc1ccc(F)cc1S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
C[C@@H](C(=O)[O-])[NH+]1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 O=C([O-])[*:1] C[C@@H]([NH+]1CCN(CC1)C(=O)c1ccc(C[NH3+])o1)[*:1]
C[NH+](Cc1ccsc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[NH+](Cc1ccsc1)Cc1ccc(cc1[*:1])C(N)=O
C[NH+](Cc1ccsc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] c1cc(cs1)[*:1] C[NH+](Cc1ccc(cc1[N+](=O)[O-])C(N)=O)C[*:1]
C[NH+](Cc1ccsc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] c1cc(cs1)C[*:1] C[NH+](Cc1ccc(cc1[N+](=O)[O-])C(N)=O)[*:1]
C[NH+](Cc1ccsc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] NC(=O)[*:1] C[NH+](Cc1ccsc1)Cc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1ccc2nc(COC(=O)c3cnc(OCC(F)(F)F)c(Cl)c3)cc(=O)n2c1 FC(F)(F)[*:1] Cc1ccc2nc(cc(=O)n2c1)COC(=O)c1cnc(OC[*:1])c(Cl)c1
Cc1ccc2nc(COC(=O)c3cnc(OCC(F)(F)F)c(Cl)c3)cc(=O)n2c1 FC(F)(F)C[*:1] Cc1ccc2nc(cc(=O)n2c1)COC(=O)c1cnc(O[*:1])c(Cl)c1
Cc1ccc2nc(COC(=O)c3cnc(OCC(F)(F)F)c(Cl)c3)cc(=O)n2c1 FC(F)(F)CO[*:1] Cc1ccc2nc(cc(=O)n2c1)COC(=O)c1cnc(c(Cl)c1)[*:1]
Cc1cccc(CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)c1 Cc1cccc(c1)[*:1] Cc1ccc(C)c(c1)CN1CCCN(C[*:1])S1(=O)=O
Cc1cccc(CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)c1 Cc1cccc(c1)C[*:1] Cc1ccc(C)c(c1)CN1CCCN(S1(=O)=O)[*:1]
Cc1cccc(CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)c1 Cc1ccc(C)c(c1)[*:1] Cc1cccc(c1)CN1CCCN(C[*:1])S1(=O)=O
CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCN1CCCC1=O O=C1CCCN1[*:1] CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CCC[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)C2 c1coc(c1)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N(CC[NH+](C)C)C[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)C2 c1coc(c1)C[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N(CC[NH+](C)C)[*:1]
CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(C[C@H](C)[NH3+])nc1 CCC(C)(C)[*:1] C[C@H]([NH3+])Cc1ccc(cn1)O[C@H](C)C(=O)N[*:1]
COc1ccc(F)cc1NC(=O)C(=O)NCc1cc(Br)cs1 Brc1csc(c1)C[*:1] COc1ccc(F)cc1NC(=O)C(=O)N[*:1]
COc1ccc(F)cc1NC(=O)C(=O)NCc1cc(Br)cs1 Brc1csc(c1)[*:1] COc1ccc(F)cc1NC(=O)C(=O)NC[*:1]
CC[C@@H](c1ccccc1)[S@@](=O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@@H](c1ccccc1)[S@@](=O)Cc1ccc(cc1)[*:1]
CC[C@@H](c1ccccc1)[S@@](=O)Cc1ccc(C(F)(F)F)cc1 c1ccc(cc1)[*:1] CC[C@@H]([S@@](=O)Cc1ccc(cc1)C(F)(F)F)[*:1]
CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C)on2)cc1 CCOC(=O)N[*:1] Cc1cc(no1)NC(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C)on2)cc1 Cc1cc(no1)[*:1] CCOC(=O)Nc1ccc(cc1)NC(=O)N[*:1]
O=[N+]([O-])c1c(-c2ccccc2)nc2ccccn12 c1ccc(cc1)[*:1] O=[N+]([O-])c1c(nc2ccccn12)[*:1]
O=[N+]([O-])c1c(-c2ccccc2)nc2ccccn12 O=[N+]([O-])[*:1] c1ccc(cc1)-c1nc2ccccn2c1[*:1]
O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(CN2CCOC2=O)c1 O=C1OCCN1[*:1] O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(c1)C[*:1]
O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(CN2CCOC2=O)c1 O=C1OCCN1C[*:1] O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(c1)[*:1]
Cc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)[O-])c(C)c1 O=C([O-])[*:1] Cc1ccc(c(C)c1)-n1nc(cc1[*:1])-c1ccc(F)cc1
Cc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)[O-])c(C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)-n1nc(cc1C(=O)[O-])[*:1]
CCCCN(C)C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 O=S(=O)(N1CCOCC1)[*:1] CCCCN(C)C(=O)c1cccc(c1)-c1ccc(s1)[*:1]
CCCCN(C)C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 CCC[*:1] CN(C[*:1])C(=O)c1cccc(c1)-c1ccc(s1)S(=O)(=O)N1CCOCC1
CCCCN(C)C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 CCCC[*:1] CN(C(=O)c1cccc(c1)-c1ccc(s1)S(=O)(=O)N1CCOCC1)[*:1]
CCCCN(C)C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 CCCCN(C)C(=O)[*:1] O=S(=O)(c1ccc(s1)-c1cccc(c1)[*:1])N1CCOCC1
Cc1nc(CC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)cs1 Nc1nnc(s1)[*:1] Cc1nc(cs1)CC(=O)N[C@H](c1ccccc1)[*:1]
Cc1nc(CC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)cs1 Cc1nc(cs1)[*:1] Nc1nnc(s1)[C@H](NC(=O)C[*:1])c1ccccc1
Cc1nc(CC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)N[C@H](c1nnc(N)s1)[*:1]
Cc1nc(CC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)cs1 Cc1nc(cs1)C[*:1] Nc1nnc(s1)[C@H](NC(=O)[*:1])c1ccccc1
COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(Cc4cccc5ccccc45)CC3)c2c1 c1ccc2c(cccc2c1)[*:1] COc1ccc2[nH]cc(c2c1)[C@H](C(=O)[O-])[NH+]1CCN(CC1)C[*:1]
O=C(c1nccnc1C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(c1nccnc1[*:1])N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1
CC(C)CC[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 CC(C)[*:1] c1cc2OCCc2cc1CN1CC[NH+](CC1)CC[*:1]
CC(C)CC[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 CC(C)CC[*:1] c1cc2OCCc2cc1CN1CC[NH+](CC1)[*:1]
CC(C)CC[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 CC(C)C[*:1] c1cc2OCCc2cc1CN1CC[NH+](CC1)C[*:1]
CN(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] CN(C(=O)N[C@@](C)(C(=O)[O-])[*:1])c1ccc(F)cc1
CN(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(N)=[NH2+])CCC3)cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] Cc1c(oc2CCC/C(=N\NC(N)=[NH2+])c21)C(=O)O[*:1]
COc1cc(C)cc(C(=O)N2CCC[C@H]2CSC)c1O CSC[*:1] COc1cc(C)cc(C(=O)N2CCC[C@@H]2[*:1])c1O
O=C(Nc1ccc(Cl)cc1)c1coc(NC(=O)c2ccco2)n1 c1coc(c1)[*:1] O=C(Nc1ccc(Cl)cc1)c1coc(n1)NC(=O)[*:1]
O=C(Nc1ccc(Cl)cc1)c1coc(NC(=O)c2ccco2)n1 Clc1ccc(cc1)[*:1] O=C(N[*:1])c1coc(n1)NC(=O)c1ccco1
O=C([O-])c1ccc(-c2ccsc2)cc1O c1cc(cs1)[*:1] O=C([O-])c1ccc(cc1O)[*:1]
O=C([O-])c1ccc(-c2ccsc2)cc1O O=C([O-])[*:1] Oc1cc(ccc1[*:1])-c1ccsc1
CCc1nnc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)s1 CCc1nnc(s1)[*:1] Cc1cccc(c1)Oc1ccc(cc1)C(=O)N[*:1]
CCc1nnc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)s1 Cc1cccc(c1)[*:1] CCc1nnc(NC(=O)c2ccc(cc2)O[*:1])s1
CCc1nnc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)s1 Cc1cccc(c1)O[*:1] CCc1nnc(NC(=O)c2ccc(cc2)[*:1])s1
Cc1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1 c1cc(c2nsnc2c1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1cccc2nsnc12
N#Cc1ccccc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] N#Cc1ccccc1NC(=O)[C@H]1C[C@H]1[*:1]
CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc2c(c1)OCCO2 O=[N+]([O-])[*:1] CC[C@@H](NC(=O)c1ccc(c(C)c1)[*:1])c1ccc2OCCOc2c1
CCOC(=O)C1(C#N)CC(OC)(OC)C1 CCOC(=O)[*:1] COC1(CC(C#N)(C1)[*:1])OC
CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1cccs1 CC(=O)N[*:1] C[C@H](NC(=O)C[C@@H](c1cccs1)[*:1])c1ccc(Cl)cc1Cl
CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1cccs1 Clc1ccc(c(Cl)c1)[*:1] CC(=O)N[C@@H](CC(=O)N[C@@H](C)[*:1])c1cccs1
CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[*:1]
COC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn12 Fc1ccc(cc1)[*:1] COC(=O)c1cc(nc2cc(nn12)-c1ccccc1)[*:1]
COC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn12 c1ccc(cc1)[*:1] COC(=O)c1cc(nc2cc(nn12)[*:1])-c1ccc(F)cc1
COC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn12 COC(=O)[*:1] Fc1ccc(cc1)-c1cc(n2nc(cc2n1)-c1ccccc1)[*:1]
CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CNC(=O)c1cccc(c1)S(=O)(=O)NC[*:1]
CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] CNC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 CNC(=O)[*:1] O=S(=O)(NC[C@@H]1CCCO1)c1cccc(c1)[*:1]
C[C@H](CC1CCCC1)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 C1CC(CCO1)[*:1] C[C@H](CC1CCCC1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@H](CC1CCCC1)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 C1CCC(C1)[*:1] C[C@H](C[*:1])C(=O)Nc1ccc(cc1)C(=O)NC1CCOCC1
C[C@H](CC1CCCC1)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 C1CCC(C1)C[*:1] C[C@H](C(=O)Nc1ccc(cc1)C(=O)NC1CCOCC1)[*:1]
O=C(NCCc1nc2ccccc2s1)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(NCCc1nc2ccccc2s1)c1cc([nH]n1)[*:1]
O=C(Nc1cc(N2CCOCC2)ncn1)c1ccsc1 c1cc(cs1)[*:1] O=C(Nc1cc(ncn1)N1CCOCC1)[*:1]
O=C(Nc1cc(N2CCOCC2)ncn1)c1ccsc1 C1CN(CCO1)[*:1] O=C(Nc1cc(ncn1)[*:1])c1ccsc1
Cn1cc(C[NH+]2CCN(CCC(N)=O)CC2)c(-c2cccc(Cl)c2)n1 NC(=O)CC[*:1] Cn1cc(C[NH+]2CCN(CC2)[*:1])c(n1)-c1cccc(Cl)c1
Cn1cc(C[NH+]2CCN(CCC(N)=O)CC2)c(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] Cn1cc(C[NH+]2CCN(CCC(N)=O)CC2)c(n1)[*:1]
Cn1cc(C[NH+]2CCN(CCC(N)=O)CC2)c(-c2cccc(Cl)c2)n1 NC(=O)[*:1] Cn1cc(C[NH+]2CCN(CC2)CC[*:1])c(n1)-c1cccc(Cl)c1
Cn1cc(C[NH+]2CCN(CCC(N)=O)CC2)c(-c2cccc(Cl)c2)n1 NC(=O)C[*:1] Cn1cc(C[NH+]2CCN(CC2)C[*:1])c(n1)-c1cccc(Cl)c1
O=C(Nc1cccc(Cl)c1)N(Cc1cccnc1)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1cccnc1)[*:1]
O=C(Nc1cccc(Cl)c1)N(Cc1cccnc1)Cc1cccc(F)c1 c1cncc(c1)[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1cccc(F)c1)C[*:1]
O=C(Nc1cccc(Cl)c1)N(Cc1cccnc1)Cc1cccc(F)c1 c1cncc(c1)C[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1cccc(F)c1)[*:1]
O=C(Nc1cccc(Cl)c1)N(Cc1cccnc1)Cc1cccc(F)c1 Clc1cccc(c1)[*:1] O=C(N[*:1])N(Cc1cccnc1)Cc1cccc(F)c1
O=C(Nc1cccc(Cl)c1)N(Cc1cccnc1)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1cccnc1)C[*:1]
Cc1ccc([S@](=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 Cc1ccc(nc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)[S@@](=O)[*:1]
Cc1ccc([S@](=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 CC(C)(C)[*:1] Cc1ccc(nc1)[S@](=O)[C@H]1CCCN(C1)C(=O)O[*:1]
Cc1cc(NC(=O)C(=O)N[C@@H](C)CCC2CCCC2)n(C)n1 Cc1cc(n(C)n1)[*:1] C[C@@H](CCC1CCCC1)NC(=O)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)N[C@@H](C)CCC2CCCC2)n(C)n1 C1CCC(C1)C[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](C)C[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)N[C@@H](C)CCC2CCCC2)n(C)n1 C1CCC(C1)[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](C)CC[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)N[C@@H](C)CCC2CCCC2)n(C)n1 C1CCC(C1)CC[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](C)[*:1])n(C)n1
COc1cccc(C[C@H](C[NH3+])Cc2nc(C)cs2)c1 Cc1csc(n1)[*:1] COc1cccc(c1)C[C@H](C[NH3+])C[*:1]
C[C@H](CC(=O)Nc1c(F)cccc1Br)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)Nc1c(F)cccc1Br)[*:1]
CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 CNC(=O)[*:1] O=C(N/C(=C/c1ccc(Cl)cc1)[*:1])c1ccco1
CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 c1coc(c1)[*:1] CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)[*:1]
CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 Clc1ccc(cc1)[*:1] CNC(=O)C(=C[*:1])NC(=O)c1ccco1
C[C@@H](c1nc([C@H]2CSCCO2)no1)N1CC[NH2+]CC1 C1CSC[C@@H](O1)[*:1] C[C@@H](c1nc(no1)[*:1])N1CC[NH2+]CC1
CCN(CCc1nccs1)C(=O)Nc1cncc2ccccc12 c1csc(C[*:1])n1 CCN(C[*:1])C(=O)Nc1cncc2ccccc12
CCN(CCc1nccs1)C(=O)Nc1cncc2ccccc12 c1csc(CC[*:1])n1 CCN(C(=O)Nc1cncc2ccccc12)[*:1]
CCN(CCc1nccs1)C(=O)Nc1cncc2ccccc12 c1csc(n1)[*:1] CCN(CC[*:1])C(=O)Nc1cncc2ccccc12
Clc1ncccc1OCc1coc(-c2cccs2)n1 c1csc(c1)[*:1] Clc1ncccc1OCc1coc(n1)[*:1]
O=C(NCc1noc(-c2ccco2)n1)c1ccc(OCC2CC2)nc1 C1CC1[*:1] O=C(NCc1noc(n1)-c1ccco1)c1ccc(nc1)OC[*:1]
O=C(NCc1noc(-c2ccco2)n1)c1ccc(OCC2CC2)nc1 c1coc(c1)[*:1] O=C(NCc1noc(n1)[*:1])c1ccc(nc1)OCC1CC1
O=C(NCc1noc(-c2ccco2)n1)c1ccc(OCC2CC2)nc1 C1CC1C[*:1] O=C(NCc1noc(n1)-c1ccco1)c1ccc(nc1)O[*:1]
O=C(NCc1noc(-c2ccco2)n1)c1ccc(OCC2CC2)nc1 C1CC1CO[*:1] O=C(NCc1noc(n1)-c1ccco1)c1ccc(nc1)[*:1]
CNC(=O)Cc1nc(C[NH2+][C@@H](c2ccccc2)C(C)C)cs1 c1ccc(cc1)[*:1] CNC(=O)Cc1nc(cs1)C[NH2+][C@@H](C(C)C)[*:1]
CNC(=O)Cc1nc(C[NH2+][C@@H](c2ccccc2)C(C)C)cs1 CNC(=O)[*:1] CC(C)[C@@H]([NH2+]Cc1csc(C[*:1])n1)c1ccccc1
CNC(=O)Cc1nc(C[NH2+][C@@H](c2ccccc2)C(C)C)cs1 CC(C)[*:1] CNC(=O)Cc1nc(cs1)C[NH2+][C@@H](c1ccccc1)[*:1]
CNC(=O)Cc1nc(C[NH2+][C@@H](c2ccccc2)C(C)C)cs1 CNC(=O)C[*:1] CC(C)[C@@H]([NH2+]Cc1csc(n1)[*:1])c1ccccc1
COC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])/C(=C\c1ccccc1)NC(=O)c1ccccc1
COC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1 O=C(N[*:1])c1ccccc1 COC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccccc1)[*:1]
COC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)/C(=C\c1ccccc1)NC(=O)[*:1]
COC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)C(=C[*:1])NC(=O)c1ccccc1
COC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])/C(=C\c1ccccc1)NC(=O)c1ccccc1
O=C(c1ccncc1C#CCCO)N1CCCOCC1 OCC[*:1] O=C(c1ccncc1C#C[*:1])N1CCCOCC1
O=C(c1ccncc1C#CCCO)N1CCCOCC1 OCCC#C[*:1] O=C(c1ccncc1[*:1])N1CCCOCC1
CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccccc2OC)C1=O COc1ccccc1[*:1] CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2[*:1])C1=O
CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccccc2OC)C1=O CCC[*:1] COc1ccccc1[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
CC[C@H](C(=O)NNC(=O)C[C@H](O)c1cccc(F)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)NNC(=O)C[C@H](O)c1cccc(F)c1)[*:1]
CC[C@H](C(=O)NNC(=O)C[C@H](O)c1cccc(F)c1)c1ccccc1 Fc1cccc(c1)[*:1] CC[C@H](C(=O)NNC(=O)C[C@H](O)[*:1])c1ccccc1
COC(=O)C1(C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] COC(=O)C1(CC1)C(=O)N1CCCC[C@@H]1[*:1]
COC(=O)C1(C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1 COC(=O)C1(CC1)[*:1] O=C(N1CCCC[C@H]1CN1CCOCC1)[*:1]
COC(=O)C1(C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1 C1CN(CCO1)[*:1] COC(=O)C1(CC1)C(=O)N1CCCC[C@H]1C[*:1]
COC(=O)C1(C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1 COC(=O)[*:1] O=C(N1CCCC[C@H]1CN1CCOCC1)C1(CC1)[*:1]
O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1N1CCCC1 c1cc2OCOc2cc1[*:1] O=C(CNC(=O)[*:1])Nc1ccccc1N1CCCC1
O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] O=C(CNC(=O)c1ccc2OCOc2c1)Nc1ccccc1[*:1]
COC(=O)c1ccc(CNc2ccn(C)n2)[nH]1 COC(=O)[*:1] Cn1ccc(n1)NCc1ccc([nH]1)[*:1]
CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)c2ccco2)c1 c1coc(c1)[*:1] CCOC(=O)/C(C#N)=C\c1cccc(c1)OC(=O)[*:1]
CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)c2ccco2)c1 CCOC(=O)[*:1] N#CC(=Cc1cccc(c1)OC(=O)c1ccco1)[*:1]
Cc1ccc(C)c(N(C)C(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N(C)C(=O)Cn1cnc2onc(c2c1=O)[*:1]
Cc1ccc(C)c(N(C)C(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)c1 Cc1ccc(C)c(c1)[*:1] CN(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)[*:1]
Cc1ccc(NC(=O)c2c(C)nc3sc(C(=O)N4CCCC4)c(N)c3c2-c2ccc(C)o2)c(C)c1 O=C(N1CCCC1)[*:1] Cc1ccc(NC(=O)c2c(C)nc3sc(c(N)c3c2-c2ccc(C)o2)[*:1])c(C)c1
Cc1ccc(NC(=O)c2c(C)nc3sc(C(=O)N4CCCC4)c(N)c3c2-c2ccc(C)o2)c(C)c1 Cc1ccc(o1)[*:1] Cc1ccc(NC(=O)c2c(C)nc3sc(C(=O)N4CCCC4)c(N)c3c2[*:1])c(C)c1
Cc1ccc(NC(=O)c2c(C)nc3sc(C(=O)N4CCCC4)c(N)c3c2-c2ccc(C)o2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(o1)-c1c(C(=O)N[*:1])c(C)nc2sc(C(=O)N3CCCC3)c(N)c12
Cc1ccc(NC(=O)c2c(C)nc3sc(C(=O)N4CCCC4)c(N)c3c2-c2ccc(C)o2)c(C)c1 Cc1ccc(NC(=O)[*:1])c(C)c1 Cc1ccc(o1)-c1c(c(C)nc2sc(C(=O)N3CCCC3)c(N)c12)[*:1]
COC(=O)c1ccc(NCc2ccc(Cl)o2)cc1 Clc1ccc(o1)[*:1] COC(=O)c1ccc(cc1)NC[*:1]
COC(=O)c1ccc(NCc2ccc(Cl)o2)cc1 COC(=O)[*:1] Clc1ccc(CNc2ccc(cc2)[*:1])o1
C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)c1ccccc1F)[*:1]
C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cccnc1 Fc1ccccc1[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)[*:1])c1cccnc1
COc1cccc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@](C)(O)CC(=O)[C@@H]2C(=O)Nc2ccccc2)c1 O=C(Nc1ccccc1)[*:1] COc1cccc(c1)[C@@H]1[C@H](C(=O)Nc2ccccc2)[C@](C)(O)CC(=O)[C@H]1[*:1]
COc1cccc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@](C)(O)CC(=O)[C@@H]2C(=O)Nc2ccccc2)c1 O=C(Nc1ccccc1)[*:1] COc1cccc(c1)[C@@H]1[C@H]([C@](C)(O)CC(=O)[C@@H]1C(=O)Nc1ccccc1)[*:1]
COc1cccc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@](C)(O)CC(=O)[C@@H]2C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1[C@H](C(=O)Nc2ccccc2)[C@](C)(O)CC(=O)[C@@H]1C(=O)N[*:1]
COc1cccc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@](C)(O)CC(=O)[C@@H]2C(=O)Nc2ccccc2)c1 COc1cccc(c1)[*:1] C[C@@]1(O)CC(=O)[C@H](C(=O)Nc2ccccc2)[C@@H]([C@@H]1C(=O)Nc1ccccc1)[*:1]
COc1cccc([C@@H]2[C@H](C(=O)Nc3ccccc3)[C@](C)(O)CC(=O)[C@@H]2C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1[C@H](C(=O)N[*:1])[C@](C)(O)CC(=O)[C@@H]1C(=O)Nc1ccccc1
Cc1cnc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1 O=[N+]([O-])[*:1] Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[*:1]
CCC(CC)([C@H](Cc1nc(C)cs1)NC)[NH+]1CCCC1 Cc1csc(n1)[*:1] CCC(CC)([C@H](C[*:1])NC)[NH+]1CCCC1
C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 CS(=O)(=O)N[*:1] C[C@@H](C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 C[C@@H](NS(C)(=O)=O)[*:1] O=C(N1CCN(CC1)c1cccc[nH+]1)[*:1]
Cc1cc2c(cc1S(=O)(=O)NC1CCC(C)CC1)OCCN2C CC1CCC(CC1)[*:1] Cc1cc2c(cc1S(=O)(=O)N[*:1])OCCN2C
CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(Cl)c1SC(F)F C[C@H](O)[*:1] CC(C)N(C[*:1])C(=O)Nc1cccc(Cl)c1SC(F)F
CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(Cl)c1SC(F)F C[C@H](O)C[*:1] CC(C)N(C(=O)Nc1cccc(Cl)c1SC(F)F)[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(Cl)c1SC(F)F FC(F)S[*:1] CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(Cl)c1[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(Cl)c1SC(F)F FC(F)[*:1] CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(Cl)c1S[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(Cl)c1SC(F)F CC(C)[*:1] C[C@H](O)CN(C(=O)Nc1cccc(Cl)c1SC(F)F)[*:1]
O=C(Nc1cccc(OCc2nnnn2C2CC2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)OCc1nnnn1C1CC1)[*:1]
O=C(Nc1cccc(OCc2nnnn2C2CC2)c1)c1ccccc1 C1CC1[*:1] O=C(Nc1cccc(c1)OCc1nnnn1[*:1])c1ccccc1
O=C(Nc1cccc(OCc2nnnn2C2CC2)c1)c1ccccc1 C1CC1n1nnnc1[*:1] O=C(Nc1cccc(c1)OC[*:1])c1ccccc1
Cc1cc(F)cc(N[C@@H]2CCC[C@@H]2S(C)(=O)=O)c1 CS(=O)(=O)[*:1] Cc1cc(F)cc(c1)N[C@@H]1CCC[C@H]1[*:1]
O=C([C@@H]1CCOc2ccccc21)N1CCCCC[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C([C@@H]1CCOc2ccccc21)N1CCCCC[C@H]1[*:1]
N#C[C@H](c1nc2ccccc2nc1N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 C1CN(CCO1)[*:1] N#C[C@H](c1nc2ccccc2nc1[*:1])S(=O)(=O)c1ccc(Cl)cc1
N#C[C@H](c1nc2ccccc2nc1N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#C[C@H](c1nc2ccccc2nc1N1CCOCC1)S(=O)(=O)[*:1]
Cc1c(F)cccc1NC(=O)[C@@H](C)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)[C@@H](C)C[*:1]
CC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CC(=O)N[*:1] Fc1cc(ccc1Cl)[C@@H]1OCC[C@H]1[*:1]
CCN(CC)C(=O)CN(C)C(=O)c1cc(C(C)C)no1 CC(C)[*:1] CCN(CC)C(=O)CN(C)C(=O)c1cc(no1)[*:1]
Cc1ccc(F)cc1NC(=O)N(C)Cc1ccc(Br)o1 Brc1ccc(o1)[*:1] Cc1ccc(F)cc1NC(=O)N(C)C[*:1]
CCn1nnc2c(=O)n(CC(=O)NC3CC3)cnc21 C1CC1[*:1] CCn1nnc2c(=O)n(cnc21)CC(=O)N[*:1]
CCn1nnc2c(=O)n(CC(=O)NC3CC3)cnc21 O=C(NC1CC1)[*:1] CCn1nnc2c(=O)n(cnc21)C[*:1]
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 COC(=O)[*:1] COc1c(Cl)cc(cc1Cl)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cn1ncnc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 Cn1ncnc1[*:1] CC(C)(NC(=O)NC[*:1])c1ccc(cc1)[N+](=O)[O-]
Cn1ncnc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 Cn1ncnc1C[*:1] CC(C)(NC(=O)N[*:1])c1ccc(cc1)[N+](=O)[O-]
Cn1ncnc1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cn1ncnc1CNC(=O)NC(C)(C)c1ccc(cc1)[*:1]
CCCNC(=O)CNC(=O)C1CCN(C(N)=O)CC1 CCCNC(=O)[*:1] NC(=O)N1CCC(CC1)C(=O)NC[*:1]
CCCNC(=O)CNC(=O)C1CCN(C(N)=O)CC1 CCC[*:1] NC(=O)N1CCC(CC1)C(=O)NCC(=O)N[*:1]
Cc1ccc(C(=O)NCCc2nnc3n2CC[NH+](Cc2ccc(C(C)C)cc2)CC3)cc1 Cc1ccc(cc1)C(=O)N[*:1] CC(C)c1ccc(cc1)C[NH+]1CCc2nnc(CC[*:1])n2CC1
Cc1ccc(C(=O)NCCc2nnc3n2CC[NH+](Cc2ccc(C(C)C)cc2)CC3)cc1 CC(C)c1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)NCCc1nnc2CC[NH+](CCn12)[*:1]
Cc1ccc(C(=O)NCCc2nnc3n2CC[NH+](Cc2ccc(C(C)C)cc2)CC3)cc1 Cc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)C[NH+]1CCc2nnc(CCNC(=O)[*:1])n2CC1
Cc1ccc(C(=O)NCCc2nnc3n2CC[NH+](Cc2ccc(C(C)C)cc2)CC3)cc1 CC(C)c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NCCc1nnc2CC[NH+](CCn12)C[*:1]
Cc1ccc(C(=O)NCCc2nnc3n2CC[NH+](Cc2ccc(C(C)C)cc2)CC3)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)NCCc1nnc2CC[NH+](CCn12)Cc1ccc(cc1)[*:1]
COc1cccc([C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)[NH+]2CCCC2)c1 Fc1cc(Cl)c(cc1F)[*:1] COc1cccc(c1)[C@@H](CNC(=O)[*:1])[NH+]1CCCC1
COc1cccc([C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1cc(F)c(F)cc1Cl
Cc1cccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c1C CC(C)C(=O)N[*:1] Cc1cccc(NC(=O)CNc2ccc(cc2)[*:1])c1C
Cc1cccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c1C Cc1cccc(c1C)[*:1] CC(C)C(=O)Nc1ccc(cc1)NCC(=O)N[*:1]
Cc1cccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c1C CC(C)[*:1] Cc1cccc(NC(=O)CNc2ccc(cc2)NC(=O)[*:1])c1C
O=C1[C@H]2CN(c3nccc4nc(C(F)(F)F)ccc34)CCN2C(=O)N1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2CN(CCN2C(=O)N1CC[*:1])c1nccc2nc(ccc12)C(F)(F)F
O=C1[C@H]2CN(c3nccc4nc(C(F)(F)F)ccc34)CCN2C(=O)N1CCc1ccccc1 FC(F)(F)[*:1] O=C1[C@H]2CN(CCN2C(=O)N1CCc1ccccc1)c1nccc2nc(ccc12)[*:1]
O=C1[C@H]2CN(c3nccc4nc(C(F)(F)F)ccc34)CCN2C(=O)N1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C1[C@H]2CN(CCN2C(=O)N1[*:1])c1nccc2nc(ccc12)C(F)(F)F
O=C1[C@H]2CN(c3nccc4nc(C(F)(F)F)ccc34)CCN2C(=O)N1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@H]2CN(CCN2C(=O)N1C[*:1])c1nccc2nc(ccc12)C(F)(F)F
CCC[C@@](C)([NH3+])c1nc2nc(OCC)ccc2[nH]1 CCC[*:1] CCOc1ccc2[nH]c(nc2n1)[C@@](C)([NH3+])[*:1]
CCC[C@@](C)([NH3+])c1nc2nc(OCC)ccc2[nH]1 CCO[*:1] CCC[C@@](C)([NH3+])c1nc2nc(ccc2[nH]1)[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C(C)(C)C)C1 CC(C)(C)[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NNC(=O)[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C(C)(C)C)C1 CC[S@](=O)[*:1] CC(C)(C)C(=O)NNC(=O)N[C@H]1CCC[C@H](C1)[*:1]
COc1cc(CCNC(=O)N(C)[C@H](C)Cc2ccsc2)ccc1O c1cc(cs1)C[*:1] COc1cc(ccc1O)CCNC(=O)N(C)[C@H](C)[*:1]
COc1cc(CCNC(=O)N(C)[C@H](C)Cc2ccsc2)ccc1O c1cc(cs1)[*:1] COc1cc(ccc1O)CCNC(=O)N(C)[C@H](C)C[*:1]
Cc1cc(C(=O)CN2CCC[C@@H](C(=O)NCC3CC3)C2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)CN2CCC[C@H](C2)C(=O)NCC2CC2)c(C)n1[*:1]
Cc1cc(C(=O)CN2CCC[C@@H](C(=O)NCC3CC3)C2)c(C)n1C1CC1 O=C(NCC1CC1)[*:1] Cc1cc(C(=O)CN2CCC[C@@H](C2)[*:1])c(C)n1C1CC1
Cc1cc(C(=O)CN2CCC[C@@H](C(=O)NCC3CC3)C2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)CN2CCC[C@H](C2)C(=O)NC[*:1])c(C)n1C1CC1
Cc1cc(C(=O)CN2CCC[C@@H](C(=O)NCC3CC3)C2)c(C)n1C1CC1 C1CC1C[*:1] Cc1cc(C(=O)CN2CCC[C@H](C2)C(=O)N[*:1])c(C)n1C1CC1
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccccc1 COC(=O)[*:1] O=C(CNC(=O)c1ccccc1)N[C@H]1CCCC[C@H]1[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)[*:1]
CCOC(=O)CNC(=O)c1cc(C)n(Cc2ccccc2)c1C c1ccc(cc1)C[*:1] CCOC(=O)CNC(=O)c1cc(C)n(c1C)[*:1]
CCOC(=O)CNC(=O)c1cc(C)n(Cc2ccccc2)c1C CCOC(=O)C[*:1] Cc1cc(C(=O)N[*:1])c(C)n1Cc1ccccc1
CCOC(=O)CNC(=O)c1cc(C)n(Cc2ccccc2)c1C CCOC(=O)[*:1] Cc1cc(C(=O)NC[*:1])c(C)n1Cc1ccccc1
CCOC(=O)CNC(=O)c1cc(C)n(Cc2ccccc2)c1C c1ccc(cc1)[*:1] CCOC(=O)CNC(=O)c1cc(C)n(C[*:1])c1C
C#CCOC[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1 C#CCO[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCC[C@@H](C1)C[*:1]
C#CCOC[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1 C#CCOC[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCC[C@@H](C1)[*:1]
C#CCOC[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1 C#CC[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCC[C@H](CO[*:1])C1
CCc1cnc(CN(C)C(=O)NCCc2ncc(C)s2)s1 Cc1cnc(C[*:1])s1 CCc1cnc(CN(C)C(=O)NC[*:1])s1
CCc1cnc(CN(C)C(=O)NCCc2ncc(C)s2)s1 CCc1cnc(s1)[*:1] Cc1cnc(CCNC(=O)N(C)C[*:1])s1
CCc1cnc(CN(C)C(=O)NCCc2ncc(C)s2)s1 Cc1cnc(s1)[*:1] CCc1cnc(CN(C)C(=O)NCC[*:1])s1
CC(C)[C@@H](C)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 CC(C)[C@@H](C)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
CC(C)[C@@H](C)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 CC(C)[*:1] C[C@@H](C(=O)Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CCC[C@H]1[*:1]
CCc1ccc(NC(=O)c2ccc([C@H]3Nc4cc(C(F)(F)F)ccc4S(=O)(=O)N3)cc2)cc1 CCc1ccc(cc1)NC(=O)[*:1] O=S1(=O)N[C@H](Nc2cc(ccc21)C(F)(F)F)c1ccc(cc1)[*:1]
CCc1ccc(NC(=O)c2ccc([C@H]3Nc4cc(C(F)(F)F)ccc4S(=O)(=O)N3)cc2)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)NC(=O)c1ccc(cc1)[C@H]1Nc2cc(ccc2S(=O)(=O)N1)[*:1]
CCc1ccc(NC(=O)c2ccc([C@H]3Nc4cc(C(F)(F)F)ccc4S(=O)(=O)N3)cc2)cc1 CCc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)[C@H]1Nc2cc(ccc2S(=O)(=O)N1)C(F)(F)F
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1nncn1C1CC1 C1CC1[*:1] O=C(Cc1c[nH]c2ccc(cc12)[N+](=O)[O-])OCc1nncn1[*:1]
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1nncn1C1CC1 O=[N+]([O-])[*:1] O=C(Cc1c[nH]c2ccc(cc12)[*:1])OCc1nncn1C1CC1
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1nncn1C1CC1 c1nnc(n1C1CC1)[*:1] O=C(Cc1c[nH]c2ccc(cc12)[N+](=O)[O-])OC[*:1]
C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 C1CCC(C1)O[*:1] C[NH+]1CCC(CC1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 C1CCC(C1)[*:1] C[NH+]1CCC(CC1)NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
O=C(NCc1c(F)cccc1F)[C@@H]1CN(c2nccs2)CCO1 c1csc(n1)[*:1] O=C(NCc1c(F)cccc1F)[C@@H]1CN(CCO1)[*:1]
Cc1cc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)n(C)n1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCN(CC2)[C@H](c2ccccc2)[*:1])n(C)n1
Cc1cc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N1CCN(CC1)[C@H](c1ccccc1)c1ccc(F)cc1)[*:1]
Cc1cc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)n(C)n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCN(CC2)[C@H](c2ccc(F)cc2)[*:1])n(C)n1
O=C(NCCC(=O)N1CCc2c1cccc2[N+](=O)[O-])c1ccsc1 O=[N+]([O-])[*:1] O=C(NCCC(=O)N1CCc2c1cccc2[*:1])c1ccsc1
O=C(NCCC(=O)N1CCc2c1cccc2[N+](=O)[O-])c1ccsc1 c1cc(cs1)[*:1] O=C(CCNC(=O)[*:1])N1CCc2c1cccc2[N+](=O)[O-]
O=C(NCCC(=O)N1CCc2c1cccc2[N+](=O)[O-])c1ccsc1 O=C(N[*:1])c1ccsc1 O=C(CC[*:1])N1CCc2c1cccc2[N+](=O)[O-]
CC(=O)Nc1cccc(CN2CCOC[C@@H]2C2CC2)c1 C1CC1[*:1] CC(=O)Nc1cccc(c1)CN1CCOC[C@H]1[*:1]
CC(=O)Nc1cccc(CN2CCOC[C@@H]2C2CC2)c1 CC(=O)N[*:1] c1cc(cc(c1)[*:1])CN1CCOC[C@@H]1C1CC1
Cn1cc(C(=O)N2C[C@@H]3CC[C@H]2C3)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)N2C[C@@H]3CC[C@H]2C3)c(n1)[*:1]
C=CCc1ccccc1OCCn1c(C)nc2ccccc21 C=CC[*:1] Cc1nc2ccccc2n1CCOc1ccccc1[*:1]
O=C1C[C@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccccc1 Clc1ccc(cc1Cl)[*:1] O=C1C[C@@H](C(=O)N1c1ccccc1)[NH+]1CCN(CC1)[*:1]
O=C1C[C@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)N1[*:1])[NH+]1CCN(CC1)c1ccc(Cl)c(Cl)c1
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CSc2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] N#Cc1nc(oc1N1CCN(CC1)C(=O)CS[*:1])-c1ccco1
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CSc2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)S[*:1] N#Cc1nc(oc1N1CCN(CC1)C(=O)C[*:1])-c1ccco1
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CSc2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)SC[*:1] N#Cc1nc(oc1N1CCN(CC1)C(=O)[*:1])-c1ccco1
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CSc2ccc(F)c(F)c2)CC1 c1coc(c1)[*:1] N#Cc1nc(oc1N1CCN(CC1)C(=O)CSc1ccc(F)c(F)c1)[*:1]
Cc1cc(NC(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])N1CCN(CC1)Cc1ccc(s1)-c1cccc(F)c1
Cc1cc(NC(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)no1 Fc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)N1CCN(CC1)Cc1ccc(s1)[*:1]
Cc1csc(Cn2c3c(sc2=O)C[C@@H](C)CC3)n1 Cc1csc(n1)[*:1] C[C@H]1CCc2c(C1)sc(=O)n2C[*:1]
C[C@@H](c1ccco1)N(C)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] C[C@@H](c1ccco1)N(C)C(=O)NC[C@H](N1CCOCC1)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](c1ccco1)N(C)C(=O)NC[C@H](c1ccccc1)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 c1coc(c1)[*:1] C[C@@H](N(C)C(=O)NC[C@H](c1ccccc1)N1CCOCC1)[*:1]
Cc1cnc2c(S(=O)(=O)N(Cc3ccco3)C3CC3)cccc2c1 C1CC1[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N(Cc1ccco1)[*:1]
Cc1cnc2c(S(=O)(=O)N(Cc3ccco3)C3CC3)cccc2c1 c1coc(c1)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N(C[*:1])C1CC1
Cc1cnc2c(S(=O)(=O)N(Cc3ccco3)C3CC3)cccc2c1 c1coc(c1)C[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N(C1CC1)[*:1]
N#CCCCNC(=O)[C@H]1CC[C@H](C[NH3+])O1 N#CCCC[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)N[*:1]
N#CCCCNC(=O)[C@H]1CC[C@H](C[NH3+])O1 N#CCC[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)NC[*:1]
N#CCCCNC(=O)[C@H]1CC[C@H](C[NH3+])O1 N#CC[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)NCC[*:1]
Cn1ccc2ccc(NC(=O)C=C3CN(C(=O)OC(C)(C)C)C3)cc21 CC(C)(C)[*:1] Cn1ccc2ccc(cc21)NC(=O)C=C1CN(C1)C(=O)O[*:1]
CC(C)CN(C(=O)c1ccc(NN)nn1)C1CCCC1 CC(C)C[*:1] NNc1ccc(nn1)C(=O)N(C1CCCC1)[*:1]
CC(C)CN(C(=O)c1ccc(NN)nn1)C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(C(=O)c1ccc(nn1)NN)[*:1]
CC(C)CN(C(=O)c1ccc(NN)nn1)C1CCCC1 CC(C)[*:1] NNc1ccc(nn1)C(=O)N(C[*:1])C1CCCC1
Cc1cc(C)c(NC(=O)CSCCN2CCOCC2)c(C)c1 C1CN(CCO1)C[*:1] Cc1cc(C)c(NC(=O)CSC[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CSCCN2CCOCC2)c(C)c1 C1CN(CCO1)[*:1] Cc1cc(C)c(NC(=O)CSCC[*:1])c(C)c1
COc1ccc(OC)c(NC(=O)Nc2cc(N3CCN(Cc4ccccc4)CC3)ncn2)c1 COc1ccc(OC)c(c1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)Cc1ccccc1)N[*:1]
COc1ccc(OC)c(NC(=O)Nc2cc(N3CCN(Cc4ccccc4)CC3)ncn2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)Nc1cc(ncn1)N1CCN(CC1)C[*:1]
COc1ccc(OC)c(NC(=O)Nc2cc(N3CCN(Cc4ccccc4)CC3)ncn2)c1 c1ccc(cc1)C[*:1] COc1ccc(OC)c(c1)NC(=O)Nc1cc(ncn1)N1CCN(CC1)[*:1]
O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(-n2cnnn2)c1 Clc1ccc(cc1)[*:1] O=C(OCc1nnc(o1)[*:1])c1cccc(c1)-n1cnnn1
O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=C(OCc1nnc(o1)-c1ccc(Cl)cc1)c1cccc(c1)[*:1]
COc1ccc([N+](=O)[O-])cc1CN1CCC[NH+](CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] COc1ccc(cc1CN1CCC[NH+](CC1)C[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1CN1CCC[NH+](CC(=O)N2CCCC2)CC1 O=[N+]([O-])[*:1] COc1ccc(cc1CN1CCC[NH+](CC1)CC(=O)N1CCCC1)[*:1]
COc1ccc([N+](=O)[O-])cc1CN1CCC[NH+](CC(=O)N2CCCC2)CC1 O=C(C[*:1])N1CCCC1 COc1ccc(cc1CN1CCC[NH+](CC1)[*:1])[N+](=O)[O-]
COc1ccc2[nH]cc(CCNC(=S)Nc3ccccc3C)c2c1 Cc1ccccc1[*:1] COc1ccc2[nH]cc(CCNC(=S)N[*:1])c2c1
CC(C)[C@H]1C(=O)N[C@@H](C)C(=O)N1Cc1cc(F)cc(Br)c1 CC(C)[*:1] C[C@@H]1NC(=O)[C@@H](N(Cc2cc(F)cc(Br)c2)C1=O)[*:1]
CCOCc1ccccc1NC(=O)CCN1CCCC1=O O=C1CCCN1C[*:1] CCOCc1ccccc1NC(=O)C[*:1]
CCOCc1ccccc1NC(=O)CCN1CCCC1=O CCOC[*:1] O=C(CCN1CCCC1=O)Nc1ccccc1[*:1]
CCOCc1ccccc1NC(=O)CCN1CCCC1=O O=C1CCCN1[*:1] CCOCc1ccccc1NC(=O)CC[*:1]
CCOCc1ccccc1NC(=O)CCN1CCCC1=O CCO[*:1] O=C(CCN1CCCC1=O)Nc1ccccc1C[*:1]
CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cnc(C)cn2)cc1 Cc1cnc(cn1)[*:1] CCc1ccc(cc1)NC(=O)[C@H](C)OC(=O)[*:1]
Cc1ccc(N2CCC(NC(=O)Nc3cnn(CC(F)F)c3)CC2)[nH+]c1 FC(F)C[*:1] Cc1ccc([nH+]c1)N1CCC(CC1)NC(=O)Nc1cnn(c1)[*:1]
Cc1ccc(N2CCC(NC(=O)Nc3cnn(CC(F)F)c3)CC2)[nH+]c1 FC(F)[*:1] Cc1ccc([nH+]c1)N1CCC(CC1)NC(=O)Nc1cnn(c1)C[*:1]
CCOc1c(Br)cc(C(=O)N[C@H](C)c2ccncc2)cc1OC c1cc(ccn1)[*:1] CCOc1c(Br)cc(cc1OC)C(=O)N[C@H](C)[*:1]
CCOc1c(Br)cc(C(=O)N[C@H](C)c2ccncc2)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])C(=O)N[C@H](C)c1ccncc1
CCOc1cccc(NC(=O)/C(C#N)=C/[C@H]2C=c3ccccc3=[NH+]2)c1 CCO[*:1] N#C/C(=C\[C@H]1C=c2ccccc2=[NH+]1)C(=O)Nc1cccc(c1)[*:1]
CCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1C c1ccc(cc1)[*:1] CCc1c(nc2nc(cn2c1C)C(=O)[*:1])OC
C#CCNC(=O)c1ccc(N2CC[NH+](CCc3ccccc3)CC2)nc1 c1ccc(cc1)[*:1] C#CCNC(=O)c1ccc(nc1)N1CC[NH+](CC1)CC[*:1]
C#CCNC(=O)c1ccc(N2CC[NH+](CCc3ccccc3)CC2)nc1 c1ccc(cc1)C[*:1] C#CCNC(=O)c1ccc(nc1)N1CC[NH+](CC1)C[*:1]
C#CCNC(=O)c1ccc(N2CC[NH+](CCc3ccccc3)CC2)nc1 C#CCNC(=O)[*:1] c1ccc(cc1)CC[NH+]1CCN(CC1)c1ccc(cn1)[*:1]
C#CCNC(=O)c1ccc(N2CC[NH+](CCc3ccccc3)CC2)nc1 c1ccc(cc1)CC[*:1] C#CCNC(=O)c1ccc(nc1)N1CC[NH+](CC1)[*:1]
C#CCNC(=O)c1ccc(N2CC[NH+](CCc3ccccc3)CC2)nc1 C#CC[*:1] O=C(N[*:1])c1ccc(nc1)N1CC[NH+](CCc2ccccc2)CC1
CCc1nn(C)cc1NC(=O)N[C@@H](C)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CCc1nn(C)cc1NC(=O)N[C@@H](C)[*:1]
CCN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1cc(F)ccc1OC COc1ccc(F)cc1[*:1] CCN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)[*:1]
C#CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 C#CC[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)CO[*:1]
C#CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 C#CCOC[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
C#CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 C#CCO[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)C[*:1]
COc1cc(C(=O)Oc2ccc(F)cc2)cc(OC)c1Br Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1Br)C(=O)O[*:1]
CC1(C)CCC[C@@H]1NC(=O)COCC(=O)[O-] O=C([O-])[*:1] CC1(C)CCC[C@@H]1NC(=O)COC[*:1]
CC1(C)CCC[C@@H]1NC(=O)COCC(=O)[O-] O=C([O-])CO[*:1] CC1(C)CCC[C@@H]1NC(=O)C[*:1]
CC1(C)CCC[C@@H]1NC(=O)COCC(=O)[O-] O=C([O-])C[*:1] CC1(C)CCC[C@@H]1NC(=O)CO[*:1]
Cc1ccc2ncc(C(=O)N(C)C3CC[NH+](C(C)C)CC3)n2c1 CC(C)[*:1] Cc1ccc2ncc(C(=O)N(C)C3CC[NH+](CC3)[*:1])n2c1
C[C@@]1(C(=O)N/N=C/c2cccs2)CC1(Br)Br c1csc(c1)[*:1] C[C@]1(CC1(Br)Br)C(=O)NN=C[*:1]
CCC[C@@H](C)C(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C CCC[*:1] Cc1ccc(cc1NC(=O)[C@H](C)[*:1])C(=O)N[C@H](C)c1ccccc1
CCC[C@@H](C)C(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C c1ccc(cc1)[*:1] CCC[C@@H](C)C(=O)Nc1cc(ccc1C)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)C(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C C[C@H](c1ccccc1)[*:1] CCC[C@@H](C)C(=O)Nc1cc(ccc1C)C(=O)N[*:1]
CCC[C@@H](C)C(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C CCC[C@@H](C)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)N[C@H](C)c1ccccc1
CCC[C@@H](C)C(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C CCC[C@@H](C)C(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@H](C)c1ccccc1
Cc1cc(C)nc(NC(=[NH2+])Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)n1 Cc1cc(C)nc(n1)[*:1] Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=[NH2+])N[*:1]
Cc1cc(C)nc(NC(=[NH2+])Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)n1 Cc1ccnc(n1)[*:1] Cc1cc(C)nc(n1)NC(=[NH2+])Nc1ccc(cc1)S(=O)(=O)N[*:1]
CCCN(C(=O)c1ccc(CNC(C)=O)cc1)c1cccc2ccccc12 CCC[*:1] CC(=O)NCc1ccc(cc1)C(=O)N(c1cccc2ccccc12)[*:1]
CCCN(C(=O)c1ccc(CNC(C)=O)cc1)c1cccc2ccccc12 CC(=O)N[*:1] CCCN(C(=O)c1ccc(cc1)C[*:1])c1cccc2ccccc12
CCCN(C(=O)c1ccc(CNC(C)=O)cc1)c1cccc2ccccc12 CC(=O)NC[*:1] CCCN(C(=O)c1ccc(cc1)[*:1])c1cccc2ccccc12
CCOCCN(C)C(=O)C1(CC)CCCC1 CCOC[*:1] CCC1(CCCC1)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)C1(CC)CCCC1 CCO[*:1] CCC1(CCCC1)C(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)C1(CC)CCCC1 CCOCC[*:1] CCC1(CCCC1)C(=O)N(C)[*:1]
CNC(=O)c1ccc(/C=C/C(=O)N2CC[C@@H](C)C[C@H]2C)cc1 CNC(=O)[*:1] C[C@@H]1CCN(C(=O)/C=C/c2ccc(cc2)[*:1])[C@H](C)C1
Cc1ccc(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1)N(C)CC(=O)Nc1ccccc1[*:1]
O=C(Nc1cccc2cnccc12)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(Nc1cccc2cnccc12)C(=O)N1CCN(CC1)C(=O)[*:1]
CCCN1CCO[C@@H](C(=O)c2cc(C)ccc2F)C1 CCC[*:1] Cc1ccc(F)c(c1)C(=O)[C@H]1CN(CCO1)[*:1]
CN[C@@]1(C(N)=O)CC[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)C1 NC(=O)[*:1] CN[C@]1(CC[C@H](C1)N1CC[C@@H](C1)[NH+]1CCCCC1)[*:1]
CC1CCN(c2[nH+]cccc2C(=O)[O-])CC1 O=C([O-])[*:1] CC1CCN(CC1)c1[nH+]cccc1[*:1]
CCC[C@@H]1NC(=O)N(C[C@@H]2CSc3ccccc32)C1=O CCC[*:1] O=C1N[C@H](C(=O)N1C[C@@H]1CSc2ccccc21)[*:1]
CC(C)OCCN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 CC(C)[*:1] C[C@H]1CCCC[C@H]1NC(=O)N1CCN(CCO[*:1])CC1
CC(C)OCCN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 CC(C)OC[*:1] C[C@H]1CCCC[C@H]1NC(=O)N1CCN(CC1)C[*:1]
CC(C)OCCN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 CC(C)O[*:1] C[C@H]1CCCC[C@H]1NC(=O)N1CCN(CC1)CC[*:1]
CC(C)OCCN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 CC(C)OCC[*:1] C[C@H]1CCCC[C@H]1NC(=O)N1CCN(CC1)[*:1]
COc1ccc2cnn(CC(=O)Nc3cccnc3)c(=O)c2c1OC c1cncc(c1)[*:1] COc1ccc2cnn(CC(=O)N[*:1])c(=O)c2c1OC
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1ccccc1F Fc1ccccc1[*:1] CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)[*:1]
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1ccccc1F CCOC(=O)[*:1] O=C(N=c1c(cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1)[*:1])c1ccccc1F
O=C1CN(C(=O)COC(=O)c2ccccc2O)c2ccccc2N1 Oc1ccccc1[*:1] O=C1CN(C(=O)COC(=O)[*:1])c2ccccc2N1
C[C@@H]1CC(=O)c2cc(C(=O)Nc3ccccc3Cl)c(=O)[nH]c2C1 Clc1ccccc1[*:1] C[C@@H]1CC(=O)c2cc(C(=O)N[*:1])c(=O)[nH]c2C1
C[C@@H]([NH2+]Cc1cccc(OC2CCCC2)c1)c1ccc2c(c1)NC(=O)CO2 C1CCC(C1)[*:1] C[C@@H]([NH2+]Cc1cccc(c1)O[*:1])c1ccc2OCC(=O)Nc2c1
C[C@@H]([NH2+]Cc1cccc(OC2CCCC2)c1)c1ccc2c(c1)NC(=O)CO2 C1CCC(C1)O[*:1] C[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1ccc2OCC(=O)Nc2c1
COc1cccc(C(=O)NCC[NH+](C)C2CCCCC2)c1F C1CCC(CC1)[*:1] COc1cccc(C(=O)NCC[NH+](C)[*:1])c1F
O=C(CCOc1ccccc1)N1CCC(c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(CCO[*:1])N1CCC(CC1)c1ccc(F)cc1
O=C(CCOc1ccccc1)N1CCC(c2ccc(F)cc2)CC1 c1ccc(cc1)O[*:1] O=C(CC[*:1])N1CCC(CC1)c1ccc(F)cc1
O=C(CCOc1ccccc1)N1CCC(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCOc1ccccc1)N1CCC(CC1)[*:1]
O=C(CCOc1ccccc1)N1CCC(c2ccc(F)cc2)CC1 c1ccc(cc1)OC[*:1] O=C(C[*:1])N1CCC(CC1)c1ccc(F)cc1
COc1ccccc1C(=O)N(c1ccc(C)cc1)[C@@H]1C=CS(=O)(=O)C1 Cc1ccc(cc1)[*:1] COc1ccccc1C(=O)N([C@@H]1C=CS(=O)(=O)C1)[*:1]
COc1ccccc1C(=O)N(c1ccc(C)cc1)[C@@H]1C=CS(=O)(=O)C1 COc1ccccc1[*:1] Cc1ccc(cc1)N(C(=O)[*:1])[C@@H]1C=CS(=O)(=O)C1
NC(=O)CONC(=O)[C@H]1CCCc2sccc21 NC(=O)[*:1] O=C(NOC[*:1])[C@H]1CCCc2sccc21
NC(=O)CONC(=O)[C@H]1CCCc2sccc21 NC(=O)C[*:1] O=C(NO[*:1])[C@H]1CCCc2sccc21
COc1ccc([C@H]2[C@@H](C(=O)Nc3cnn(CC(C)C)c3)CC(=O)N2C)cc1 CC(C)Cn1cc(cn1)[*:1] COc1ccc(cc1)[C@H]1[C@H](CC(=O)N1C)C(=O)N[*:1]
COc1ccc([C@H]2[C@@H](C(=O)Nc3cnn(CC(C)C)c3)CC(=O)N2C)cc1 CC(C)C[*:1] COc1ccc(cc1)[C@H]1[C@H](CC(=O)N1C)C(=O)Nc1cnn(c1)[*:1]
COc1ccc([C@H]2[C@@H](C(=O)Nc3cnn(CC(C)C)c3)CC(=O)N2C)cc1 COc1ccc(cc1)[*:1] CC(C)Cn1cc(cn1)NC(=O)[C@H]1CC(=O)N(C)[C@H]1[*:1]
COc1ccc([C@H]2[C@@H](C(=O)Nc3cnn(CC(C)C)c3)CC(=O)N2C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H]1[C@H](CC(=O)N1C)C(=O)Nc1cnn(c1)C[*:1]
CC[NH+](CC)CCNc1nc2sc(C)c(C)c2c2nc(-c3ccco3)nn12 c1coc(c1)[*:1] CC[NH+](CC)CCNc1nc2sc(C)c(C)c2c2nc(nn12)[*:1]
C[C@H]1CCC2=C(C1)S[C@H](/N=C/[C@@H]1C=NN=C1c1ccccc1)[C@@H]2C#N c1ccc(cc1)[*:1] C[C@H]1CCC2=C(C1)S[C@H](/N=C/[C@@H]1C=NN=C1[*:1])[C@@H]2C#N
O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)N1CCCCC1 O=C(C[*:1])N1CCCCC1 O=C(C[*:1])N1CCN(CC1)c1nc2cccnc2s1
O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1nc2cccnc2s1
O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)N1CCCCC1 c1cnc2sc(nc2c1)[*:1] O=C(CCC(=O)N1CCN(CC1)[*:1])N1CCCCC1
CNc1cc([C@H]2CCCN(Cc3cccc(OC)c3OC)C2)nc(-c2ccncc2)n1 COc1cccc(c1OC)[*:1] CNc1cc(nc(n1)-c1ccncc1)[C@H]1CCCN(C1)C[*:1]
CNc1cc([C@H]2CCCN(Cc3cccc(OC)c3OC)C2)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CNc1cc(nc(n1)[*:1])[C@H]1CCCN(Cc2cccc(OC)c2OC)C1
C#CCN1CCN(C(=O)NC[C@@H](C)N2CCc3ccccc32)CC1 C#CC[*:1] C[C@H](CNC(=O)N1CCN(CC1)[*:1])N1CCc2ccccc21
O=C(OCc1cn2ccccc2n1)c1ccc(Cn2nnc3ccccc32)cc1 c1ccn2cc(nc2c1)[*:1] O=C(OC[*:1])c1ccc(cc1)Cn1nnc2ccccc21
O=C(OCc1cn2ccccc2n1)c1ccc(Cn2nnc3ccccc32)cc1 c1ccc2c(c1)nnn2[*:1] O=C(OCc1cn2ccccc2n1)c1ccc(cc1)C[*:1]
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3ccnn3)cc2)C1 c1cn(nn1)[*:1] Cc1ccccc1[C@@H]1C[C@H](C)N(C1)C(=O)c1ccc(cc1)[*:1]
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3ccnn3)cc2)C1 Cc1ccccc1[*:1] C[C@H]1C[C@H](CN1C(=O)c1ccc(cc1)-n1ccnn1)[*:1]
COc1ccc([C@@H]2CN(C(=O)Cn3nc4ccccc4n3)C[C@H]2[NH+](C)C)cc1 c1ccc2nn(nc2c1)[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1[NH+](C)C)C(=O)C[*:1]
COc1ccc([C@@H]2CN(C(=O)Cn3nc4ccccc4n3)C[C@H]2[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CN(C[C@H]1[*:1])C(=O)Cn1nc2ccccc2n1
Cc1cc(N(CCC#N)C(=O)CN(C)[C@H](C)c2ccncc2)ccc1Cl Cc1cc(ccc1Cl)[*:1] C[C@H](c1ccncc1)N(C)CC(=O)N(CCC#N)[*:1]
Cc1cc(N(CCC#N)C(=O)CN(C)[C@H](C)c2ccncc2)ccc1Cl N#CCC[*:1] Cc1cc(ccc1Cl)N(C(=O)CN(C)[C@H](C)c1ccncc1)[*:1]
Cc1cc(N(CCC#N)C(=O)CN(C)[C@H](C)c2ccncc2)ccc1Cl N#CC[*:1] Cc1cc(ccc1Cl)N(C[*:1])C(=O)CN(C)[C@H](C)c1ccncc1
Cc1cc(N(CCC#N)C(=O)CN(C)[C@H](C)c2ccncc2)ccc1Cl C[C@H](c1ccncc1)[*:1] Cc1cc(ccc1Cl)N(CCC#N)C(=O)CN(C)[*:1]
Cc1cc(N(CCC#N)C(=O)CN(C)[C@H](C)c2ccncc2)ccc1Cl c1cc(ccn1)[*:1] Cc1cc(ccc1Cl)N(CCC#N)C(=O)CN(C)[C@H](C)[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2cccc(C)c2C)cc1 CC(=O)[*:1] Cc1cccc(N[C@H](C)C(=O)Nc2ccc(cc2)[*:1])c1C
CCOc1ncccc1NC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 c1csc(c1)[*:1] CCOc1ncccc1NC(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1]
CCOc1ncccc1NC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 CCO[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)Nc1cccnc1[*:1])c1cccs1
CCOc1ncccc1NC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 CCOc1ncccc1[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)N[*:1])c1cccs1
N#C[C@@H](NC(=O)c1ccc(F)c(F)c1F)C1CC1 C1CC1[*:1] N#C[C@@H](NC(=O)c1ccc(F)c(F)c1F)[*:1]
N#C[C@@H](NC(=O)c1ccc(F)c(F)c1F)C1CC1 N#C[C@@H](C1CC1)[*:1] O=C(N[*:1])c1ccc(F)c(F)c1F
CC(C)CCNC(=O)CN1C(=O)c2ccccc2C1=O CC(C)C[*:1] O=C(CN1C(=O)c2ccccc2C1=O)NC[*:1]
CC(C)CCNC(=O)CN1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)NCC[*:1]
CC(C)CCNC(=O)CN1C(=O)c2ccccc2C1=O CC(C)CC[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N[*:1]
O=C1N(Cc2cccc(F)c2)c2ccccc2[C@]1(O)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C1N(C[*:1])c2ccccc2[C@]1(O)c1cccc(F)c1
O=C1N(Cc2cccc(F)c2)c2ccccc2[C@]1(O)c1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C1N(c2ccccc2[C@]1(O)c1cccc(F)c1)[*:1]
O=C1N(Cc2cccc(F)c2)c2ccccc2[C@]1(O)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C1N(Cc2cccc(F)c2)c2ccccc2[C@@]1(O)[*:1]
CCOC(=O)c1cnn(C(=O)OCC)c1N CCOC(=O)[*:1] CCOC(=O)n1ncc(c1N)[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 Clc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H]1CCC(=O)N(C1)C1CCCCCC1
O=C(NCCc1ccc(Cl)cc1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 Clc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H]1CCC(=O)N(C1)C1CCCCCC1
O=C(NCCc1ccc(Cl)cc1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 C1CCCC(CC1)[*:1] O=C(NCCc1ccc(Cl)cc1)[C@H]1CCC(=O)N(C1)[*:1]
O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccccc1[*:1]
O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F c1ccc2c(c1)CCC[C@H]2[*:1] O=C(N[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F
O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)[*:1]
C/C(=N\Nc1nc2ccccc2c(=O)n1O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=NNc1nc2ccccc2c(=O)n1O)[*:1]
CCCC[C@H](C(=O)[O-])c1ccccn1 CCC[*:1] O=C([O-])[C@@H](C[*:1])c1ccccn1
CCCC[C@H](C(=O)[O-])c1ccccn1 O=C([O-])[*:1] CCCC[C@H](c1ccccn1)[*:1]
CCCC[C@H](C(=O)[O-])c1ccccn1 CCCC[*:1] O=C([O-])[C@H](c1ccccn1)[*:1]
COc1ccc(-c2csc(NC(=O)c3cncnc3C)n2)cc1OC Cc1ncncc1[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nn(c(C)c1C(=O)NC[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] Cc1nn(c(C)c1C(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
Cc1ccc(C)c(N2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)C[C@H](O)[*:1]
Cc1ccc(C)c(N2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O[C@@H](CN1CCN(CC1)[*:1])c1ccc(Cl)cc1
Cc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1csc(n1)-c1ccc(F)cc1)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)NCCc1csc(n1)[*:1]
COc1cccc2cc(C(=O)NCC3CCN(C(=O)NC(C)(C)C)CC3)c(=O)oc12 CC(C)(C)[*:1] COc1cccc2cc(C(=O)NCC3CCN(CC3)C(=O)N[*:1])c(=O)oc12
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(CCC[*:1])NNC(=O)N[C@H]1CCN(C1=O)c1ccccc1
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)CC[*:1] O=C(C[*:1])NNC(=O)N[C@H]1CCN(C1=O)c1ccccc1
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)C[*:1] O=C(CC[*:1])NNC(=O)N[C@H]1CCN(C1=O)c1ccccc1
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCN(C1=O)[*:1]
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)CCC[*:1] O=C(NNC(=O)[*:1])N[C@H]1CCN(C1=O)c1ccccc1
CCC(CC)(NC(=O)c1ccc(C)s1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)c1ccc(C)s1)[*:1]
CC(C)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)n(C)n1 CC(C)[*:1] C[C@@H](NC(=O)c1cc(nn1C)[*:1])c1ccc2CCCc2c1
CCN(CC)C(=O)c1ccc(NC(=O)NCc2ccnn2C)cc1Cl Cn1nccc1C[*:1] CCN(CC)C(=O)c1ccc(cc1Cl)NC(=O)N[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)NCc2ccnn2C)cc1Cl Cn1nccc1[*:1] CCN(CC)C(=O)c1ccc(cc1Cl)NC(=O)NC[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)NCc2ccnn2C)cc1Cl CCN(CC)C(=O)[*:1] Cn1nccc1CNC(=O)Nc1ccc(c(Cl)c1)[*:1]
CCOc1ccccc1C(=O)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1 Clc1cccc(c1)[*:1] CCOc1ccccc1C(=O)N(Cc1ccc(o1)[*:1])[C@H]1CCS(=O)(=O)C1
CCOc1ccccc1C(=O)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1 CCOc1ccccc1[*:1] O=C(N(Cc1ccc(o1)-c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1)[*:1]
CCOc1ccccc1C(=O)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1 CCO[*:1] O=C(c1ccccc1[*:1])N(Cc1ccc(o1)-c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1
O=C(NC[C@@H]1CCCCO1)c1ccc2nc(C3CCCCC3)oc2c1 C1CC[C@H](OC1)[*:1] O=C(NC[*:1])c1ccc2nc(oc2c1)C1CCCCC1
O=C(NC[C@@H]1CCCCO1)c1ccc2nc(C3CCCCC3)oc2c1 C1CC[C@@H](C[*:1])OC1 O=C(N[*:1])c1ccc2nc(oc2c1)C1CCCCC1
O=C(NC[C@@H]1CCCCO1)c1ccc2nc(C3CCCCC3)oc2c1 C1CCC(CC1)[*:1] O=C(NC[C@@H]1CCCCO1)c1ccc2nc(oc2c1)[*:1]
Cc1cc(S(=O)(=O)/N=C(\[O-])[C@@H]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cc(cc(c1C)[*:1])S(=O)(=O)/N=C(\[O-])[C@@H]1CCC[C@@H](C)C1
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1 CC(=O)N[*:1] N#C/C(=C\c1ccc(cc1)[*:1])C(=O)Nc1c(Cl)cccc1Cl
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1 Clc1cccc(Cl)c1[*:1] CC(=O)Nc1ccc(/C=C(\C#N)C(=O)N[*:1])cc1
CC(=O)Nc1cc(C(=O)Nc2ccc(-n3cncn3)nc2)ccc1C c1ncn(n1)[*:1] CC(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(nc1)[*:1]
CC(=O)Nc1cc(C(=O)Nc2ccc(-n3cncn3)nc2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccc(nc1)-n1cncn1
Cc1ccc(C)c([C@@H](O)[C@@H](C)[C@@H](C)C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)[C@@H](O)[C@@H](C)[C@@H](C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2 O=C([O-])[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1[C@@H]([C@@H]2C=C[C@H]1C2)[*:1]
Cn1ccnc1COC(=O)CCc1cc(Cl)ccc1Br Cn1ccnc1[*:1] O=C(CCc1cc(Cl)ccc1Br)OC[*:1]
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)[C@H]1C[C@@H](n2nc(cc2N1)C(=O)NCc1cccs1)[*:1]
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)cc1OC COc1ccc(cc1OC)[*:1] O=C(NCc1cccs1)c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)[*:1]
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)cc1OC O=C(NCc1cccs1)[*:1] COc1ccc(cc1OC)[C@H]1C[C@H](n2nc(cc2N1)[*:1])C(F)(F)F
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)[C@H]1C[C@H](n2nc(cc2N1)C(=O)NC[*:1])C(F)(F)F
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)cc1OC c1csc(c1)C[*:1] COc1ccc(cc1OC)[C@H]1C[C@H](n2nc(cc2N1)C(=O)N[*:1])C(F)(F)F
CCOc1ccc2nc(SCc3cc(N)cc[nH+]3)[nH]c2c1 CCO[*:1] Nc1cc[nH+]c(c1)CSc1nc2ccc(cc2[nH]1)[*:1]
CCc1ccc(-n2ccc3c(nnc4c(C(=O)OC)cnn43)c2=O)cc1 CCc1ccc(cc1)[*:1] COC(=O)c1cnn2c1nnc1c(=O)n(ccc12)[*:1]
CCc1ccc(-n2ccc3c(nnc4c(C(=O)OC)cnn43)c2=O)cc1 COC(=O)[*:1] CCc1ccc(cc1)-n1ccc2c(nnc3c(cnn32)[*:1])c1=O
CC(C)Cn1cnnc1[C@@H]1CCCN1Cc1cccc(F)c1Cl CC(C)C[*:1] Fc1cccc(CN2CCC[C@H]2c2nncn2[*:1])c1Cl
CC(C)Cn1cnnc1[C@@H]1CCCN1Cc1cccc(F)c1Cl CC(C)[*:1] Fc1cccc(CN2CCC[C@H]2c2nncn2C[*:1])c1Cl
CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 CC(C)(C)C(=O)[*:1] O=C(c1cccnc1)[C@@H]1[C@H](N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12)[*:1]
CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 O=C(c1cccnc1)[*:1] CC(C)(C)C(=O)[C@@H]1[C@@H]([C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12)[*:1]
CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 CC(C)(C)[*:1] O=C(c1cccnc1)[C@@H]1[C@@H](C(=O)[*:1])N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12
CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 c1cncc(c1)[*:1] CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)[*:1])[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12
COc1cc(C[C@H](C)CO)cc(OC)c1 C[C@H](CO)C[*:1] COc1cc(cc(c1)[*:1])OC
COc1cc(C[C@H](C)CO)cc(OC)c1 C[C@H](CO)[*:1] COc1cc(cc(c1)OC)C[*:1]
O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC[*:1]
O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N[*:1]
CCSc1nnc(NC)s1 CCS[*:1] CNc1nnc(s1)[*:1]
COCCOc1cccc(NC(=O)c2ccc(NC=O)cc2)c1 COCCO[*:1] O=CNc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
COCCOc1cccc(NC(=O)c2ccc(NC=O)cc2)c1 O=CN[*:1] COCCOc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
COCCOc1cccc(NC(=O)c2ccc(NC=O)cc2)c1 COCC[*:1] O=CNc1ccc(cc1)C(=O)Nc1cccc(c1)O[*:1]
COCCOc1cccc(NC(=O)c2ccc(NC=O)cc2)c1 COC[*:1] O=CNc1ccc(cc1)C(=O)Nc1cccc(c1)OC[*:1]
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1cccc(c1)[N+](=O)[O-])[*:1])c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=C1C([O-])=C([C@H](c2cccc(c2)[N+](=O)[O-])N1Cc1ccccc1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 O=[N+]([O-])[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1cccc(c1)[*:1])c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(c2)[N+](=O)[O-])N1Cc1ccccc1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(c1)[N+](=O)[O-])c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1[*:1])c1ccc(F)cc1
O=C(Nc1ccccc1F)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 Fc1ccccc1[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)N[*:1]
O=C(Nc1ccccc1F)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1F)N[C@@H](C[*:1])C(=O)N1CCCC1
O=C(Nc1ccccc1F)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1F)N[C@@H](C(=O)N1CCCC1)[*:1]
O=C(Nc1ccccc1F)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(Nc1ccccc1F)N[C@@H](Cc1ccccc1)[*:1]
Cc1nn(CC(=O)Nc2ccncc2)c(=O)c2cc3ccsc3n12 c1cc(ccn1)[*:1] Cc1nn(CC(=O)N[*:1])c(=O)c2cc3ccsc3n12
CC(C)N(C)C(=O)C1CCN(C(=O)c2cn(C)nc2-c2ccccc2)CC1 CC(C)N(C)C(=O)[*:1] Cn1cc(C(=O)N2CCC(CC2)[*:1])c(n1)-c1ccccc1
CC(C)N(C)C(=O)C1CCN(C(=O)c2cn(C)nc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)c1cn(C)nc1[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)c2cn(C)nc2-c2ccccc2)CC1 CC(C)[*:1] CN(C(=O)C1CCN(CC1)C(=O)c1cn(C)nc1-c1ccccc1)[*:1]
C#Cc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)c1 C#Cc1cccc(c1)[*:1] O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2CCN(Cc12)C(=O)[*:1]
C#Cc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)c1 c1ccc(cc1)[*:1] C#Cc1cccc(c1)C(=O)N1CCc2c(C1)c(nn2CC[*:1])C(=O)NCc1ccccn1
C#Cc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)c1 O=C(NCc1ccccn1)[*:1] C#Cc1cccc(c1)C(=O)N1CCc2c(C1)c(nn2CCc1ccccc1)[*:1]
C#Cc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)c1 c1ccc(cc1)CC[*:1] C#Cc1cccc(c1)C(=O)N1CCc2c(C1)c(nn2[*:1])C(=O)NCc1ccccn1
C#Cc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)c1 c1ccc(nc1)[*:1] C#Cc1cccc(c1)C(=O)N1CCc2c(C1)c(nn2CCc1ccccc1)C(=O)NC[*:1]
C#Cc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)c1 c1ccc(cc1)C[*:1] C#Cc1cccc(c1)C(=O)N1CCc2c(C1)c(nn2C[*:1])C(=O)NCc1ccccn1
C#Cc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)c1 c1ccc(C[*:1])nc1 C#Cc1cccc(c1)C(=O)N1CCc2c(C1)c(nn2CCc1ccccc1)C(=O)N[*:1]
O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1c[nH]c2ncccc12 c1n[nH]cc1[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1c[nH]c2ncccc12
O=C(C[NH+]1CCC(CO)CC1)NCc1cc(Br)cs1 Brc1csc(c1)[*:1] O=C(C[NH+]1CCC(CO)CC1)NC[*:1]
COc1ccc(CC(=O)NNC(=O)c2ccoc2C)cc1OC Cc1occc1[*:1] COc1ccc(cc1OC)CC(=O)NNC(=O)[*:1]
CC(C)(CC(=O)Nc1ccc(Cl)nc1)NC(=O)OC(C)(C)C Clc1ccc(cn1)[*:1] CC(C)(CC(=O)N[*:1])NC(=O)OC(C)(C)C
CC(C)(CC(=O)Nc1ccc(Cl)nc1)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(CC(=O)Nc1ccc(Cl)nc1)NC(=O)O[*:1]
O=C(NCc1cccnc1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F c1cncc(c1)C[*:1] O=C(N[*:1])[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
O=C(NCc1cccnc1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCc1cccnc1)[C@H]1C[C@@H]1c1ccccc1[*:1]
O=C(NCc1cccnc1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F c1cncc(c1)[*:1] O=C(NC[*:1])[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1nnn[n-]1 NC(=O)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)c1nnn[n-]1)[*:1]
COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C COC(=O)[*:1] CO[C@]1(C)C[C@@H](NC(=O)[C@@H]2C[C@@H]2[*:1])C1(C)C
COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 COc1ccccc1[*:1] Cc1ccc(cc1Br)C(=O)NNC(=S)NC(=O)[*:1]
COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 Cc1ccc(cc1Br)[*:1] COc1ccccc1C(=O)NC(=S)NNC(=O)[*:1]
CCN(C(=O)NCC(=O)N1CCCC1)[C@@H](C)c1cccc(OC)c1 O=C(C[*:1])N1CCCC1 CCN(C(=O)N[*:1])[C@@H](C)c1cccc(c1)OC
CCN(C(=O)NCC(=O)N1CCCC1)[C@@H](C)c1cccc(OC)c1 O=C(N1CCCC1)[*:1] CCN(C(=O)NC[*:1])[C@@H](C)c1cccc(c1)OC
CCN(C(=O)NCC(=O)N1CCCC1)[C@@H](C)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(C(=O)NCC(=O)N1CCCC1)[C@@H](C)[*:1]
N#Cc1cccc(COC(=O)c2c[nH]nc2-c2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)COC(=O)c1c[nH]nc1[*:1]
CC(C)(C)OC(=O)NNC(=O)c1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] CC(C)(C)OC(=O)NNC(=O)c1csc(n1)[*:1]
CC(C)(C)OC(=O)NNC(=O)c1csc(-c2ccsc2)n1 CC(C)(C)[*:1] O=C(NNC(=O)c1csc(n1)-c1ccsc1)O[*:1]
Cc1noc(CCCC(=O)N2CC(C)(C)[C@H]2c2ccccc2)n1 Cc1noc(C[*:1])n1 CC1(C)CN(C(=O)CC[*:1])[C@@H]1c1ccccc1
Cc1noc(CCCC(=O)N2CC(C)(C)[C@H]2c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(CCCC(=O)N2CC(C)(C)[C@@H]2[*:1])n1
Cc1noc(CCCC(=O)N2CC(C)(C)[C@H]2c2ccccc2)n1 Cc1noc(n1)[*:1] CC1(C)CN(C(=O)CCC[*:1])[C@@H]1c1ccccc1
COCCOc1ccc(NC(=O)N2C[C@@H](CO)CC[C@@H]2C)cc1F COCC[*:1] C[C@H]1CC[C@H](CO)CN1C(=O)Nc1ccc(O[*:1])c(F)c1
COCCOc1ccc(NC(=O)N2C[C@@H](CO)CC[C@@H]2C)cc1F COCCO[*:1] C[C@H]1CC[C@H](CO)CN1C(=O)Nc1ccc(c(F)c1)[*:1]
COCCOc1ccc(NC(=O)N2C[C@@H](CO)CC[C@@H]2C)cc1F COC[*:1] C[C@H]1CC[C@H](CO)CN1C(=O)Nc1ccc(OC[*:1])c(F)c1
CC(C)CCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 CC(C)C[*:1] O=C1Nc2ccccc2S/C1=C/c1ccc(cc1)C(=O)NC[*:1]
CC(C)CCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 CC(C)[*:1] O=C1Nc2ccccc2S/C1=C/c1ccc(cc1)C(=O)NCC[*:1]
CC(C)CCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 CC(C)CCNC(=O)[*:1] O=C1Nc2ccccc2S/C1=C/c1ccc(cc1)[*:1]
CC(C)CCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 CC(C)CC[*:1] O=C1Nc2ccccc2S/C1=C/c1ccc(cc1)C(=O)N[*:1]
CCNS(=O)(=O)c1ccccc1N[C@H](C)C[C@@H]1CCC[NH2+]1 CCNS(=O)(=O)[*:1] C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccccc1[*:1]
Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CCCC[C@H]2C)no1 C[C@@H]1CCCC[C@H]1[*:1] Cc1cc(no1)NC(=O)CSCC(=O)N[*:1]
Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CCCC[C@H]2C)no1 Cc1cc(no1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CSCC(=O)N[*:1]
O=[N+]([O-])c1ccc(SCc2ccco2)cc1N1CCOCC1 c1coc(c1)CS[*:1] O=[N+]([O-])c1ccc(cc1N1CCOCC1)[*:1]
O=[N+]([O-])c1ccc(SCc2ccco2)cc1N1CCOCC1 O=[N+]([O-])[*:1] c1coc(c1)CSc1ccc(c(c1)N1CCOCC1)[*:1]
O=[N+]([O-])c1ccc(SCc2ccco2)cc1N1CCOCC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccc(cc1[*:1])SCc1ccco1
O=[N+]([O-])c1ccc(SCc2ccco2)cc1N1CCOCC1 c1coc(c1)C[*:1] O=[N+]([O-])c1ccc(cc1N1CCOCC1)S[*:1]
O=[N+]([O-])c1ccc(SCc2ccco2)cc1N1CCOCC1 c1coc(c1)[*:1] O=[N+]([O-])c1ccc(cc1N1CCOCC1)SC[*:1]
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C)nc2c1cnn2C(C)C CC(C)[*:1] COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C)nc2c1cnn2[*:1]
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C)nc2c1cnn2C(C)C COC(=O)[*:1] Cc1cc(C(=O)N[C@H]2CCCCC[C@H]2[*:1])c2cnn(c2n1)C(C)C
C[C@H](NC(=O)Nc1ccncc1)c1nc(-c2ccc(Cl)cc2)no1 c1cc(ccn1)[*:1] C[C@H](NC(=O)N[*:1])c1nc(no1)-c1ccc(Cl)cc1
C[C@H](NC(=O)Nc1ccncc1)c1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1ccncc1)c1nc(no1)[*:1]
O=C(N[C@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C(N[C@H](c1ccccc1)C1CC1)N1CCC(CC1)[*:1]
O=C(N[C@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N[C@H](c1ccccc1)C1CC1)N1CCC(CC1)OC[*:1]
O=C(N[C@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(N[C@H](c1ccccc1)C1CC1)N1CCC(CC1)O[*:1]
O=C(N[C@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(N[C@H](C1CC1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(N[C@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 C1CC1[*:1] O=C(N[C@H](c1ccccc1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
C[C@H]1C(=O)N(C[C@@H]2CC[C@H](C(=O)NN)O2)C(=O)[C@@H]1C NNC(=O)[*:1] C[C@H]1C(=O)N(C[C@@H]2CC[C@H](O2)[*:1])C(=O)[C@@H]1C
Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] Cc1ccccc1CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 Cc1ccccc1[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)Cc1ccc(Cl)cc1
Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)C[*:1] Cc1ccccc1CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 Cc1ccccc1C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)Cc1ccc(Cl)cc1
O=C(Cn1cnc2nc(N3CCOCC3)ncc2c1=O)Nc1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] O=C(Cn1cnc2nc(ncc2c1=O)N1CCOCC1)N[*:1]
O=C(Cn1cnc2nc(N3CCOCC3)ncc2c1=O)Nc1ccc(Cl)cc1F C1CN(CCO1)[*:1] O=C(Cn1cnc2nc(ncc2c1=O)[*:1])Nc1ccc(Cl)cc1F
C#Cc1cccc(NC(=O)c2ccc(NC(=O)c3cccc(C#C)c3)cc2)c1 C#Cc1cccc(c1)[*:1] C#Cc1cccc(c1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
C#Cc1cccc(NC(=O)c2ccc(NC(=O)c3cccc(C#C)c3)cc2)c1 C#Cc1cccc(c1)[*:1] C#Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1cc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] O=C(O[*:1])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
Cc1cc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc(C)c1Cl c1ccc(cc1)C[*:1] Cc1cc(cc(C)c1Cl)OC(=O)[C@H](N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)[*:1]
Cc1cc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc(C)c1Cl c1ccc(cc1)[*:1] Cc1cc(cc(C)c1Cl)OC(=O)[C@H](C[*:1])N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
COc1cccc(C[C@@H](NCc2ncn(C)n2)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C[C@@H](NCc1ncn(C)n1)[*:1]
COc1cccc(C[C@@H](NCc2ncn(C)n2)c2ccccc2)c1 COc1cccc(c1)[*:1] Cn1cnc(CN[C@H](C[*:1])c2ccccc2)n1
CCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccccc2c1=O Cc1ccc(cc1C)[*:1] CCCn1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
CCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccccc2c1=O CCC[*:1] Cc1ccc(cc1C)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
COc1cccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)c1 COc1cccc(c1)[*:1] O=C(NC(=S)Nc1ccc2CCc3cccc1c32)[*:1]
COc1ccc(O[C@H]2CC[C@@]([NH2+]C(C)C)(C(=O)[O-])C2)cc1 CC(C)[*:1] COc1ccc(cc1)O[C@H]1CC[C@@](C1)([NH2+][*:1])C(=O)[O-]
Cc1ccc(Oc2ncccc2CNC(=O)CCC(=O)N(C)C)cn1 Cc1ccc(cn1)O[*:1] CN(C)C(=O)CCC(=O)NCc1cccnc1[*:1]
Cc1ccc(Oc2ncccc2CNC(=O)CCC(=O)N(C)C)cn1 CN(C)C(=O)CC[*:1] Cc1ccc(cn1)Oc1ncccc1CNC(=O)[*:1]
Cc1ccc(Oc2ncccc2CNC(=O)CCC(=O)N(C)C)cn1 CN(C)C(=O)[*:1] Cc1ccc(cn1)Oc1ncccc1CNC(=O)CC[*:1]
Cc1ccc(Oc2ncccc2CNC(=O)CCC(=O)N(C)C)cn1 Cc1ccc(cn1)[*:1] CN(C)C(=O)CCC(=O)NCc1cccnc1O[*:1]
Cc1ccc(Oc2ncccc2CNC(=O)CCC(=O)N(C)C)cn1 CN(C)C(=O)C[*:1] Cc1ccc(cn1)Oc1ncccc1CNC(=O)C[*:1]
CN(Cc1nc2c(cnn2C)c(=O)[nH]1)Cc1ccco1 c1coc(c1)C[*:1] CN(Cc1nc2c(cnn2C)c(=O)[nH]1)[*:1]
CN(Cc1nc2c(cnn2C)c(=O)[nH]1)Cc1ccco1 c1coc(c1)[*:1] CN(Cc1nc2c(cnn2C)c(=O)[nH]1)C[*:1]
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O NC(=O)[*:1] C[C@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)N1Cc2ccccc2C[C@H]1[*:1]
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O O=[N+]([O-])[*:1] C[C@H](Sc1ccc(cc1)[*:1])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O O=[N+]([O-])c1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O
CCN(C[C@@H]1CCOC1)C(=O)c1ccnc(Cl)c1 C1C[C@H](CO1)[*:1] CCN(C[*:1])C(=O)c1ccnc(Cl)c1
CCN(C[C@@H]1CCOC1)C(=O)c1ccnc(Cl)c1 C1C[C@H](CO1)C[*:1] CCN(C(=O)c1ccnc(Cl)c1)[*:1]
CC(C)(C)c1ccc([C@@]2(C)C[NH+]=C(N)N2CC2CC2)cc1 CC(C)(C)[*:1] C[C@@]1(C[NH+]=C(N)N1CC1CC1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc([C@@]2(C)C[NH+]=C(N)N2CC2CC2)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)[C@@]1(C)C[NH+]=C(N)N1C[*:1]
CC(C)(C)c1ccc([C@@]2(C)C[NH+]=C(N)N2CC2CC2)cc1 C1CC1C[*:1] CC(C)(C)c1ccc(cc1)[C@@]1(C)C[NH+]=C(N)N1[*:1]
COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(-c4ccccc4)nc(=O)c32)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2[nH]c(nc(=O)c21)[*:1]
COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(-c4ccccc4)nc(=O)c32)c1 COc1ccc(OC)c(c1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(nc(=O)c1[C@@H]2[*:1])-c1ccccc1
CCOc1ccccc1-c1cccc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 NC(=O)[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
CCOc1ccccc1-c1cccc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 CCOc1ccccc1[*:1] NC(=O)[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(c1)[*:1]
CCOc1ccccc1-c1cccc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 CCO[*:1] NC(=O)[C@@H]1CCC[C@H](C1)NC(=O)c1cccc(c1)-c1ccccc1[*:1]
O=c1nc(SCc2ccc(C(F)(F)F)cc2)c2c(n1C[C@H]1CCCO1)CCCC2 FC(F)(F)[*:1] O=c1nc(SCc2ccc(cc2)[*:1])c2CCCCc2n1C[C@H]1CCCO1
Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3Cl)C2)c(C)c1 Clc1ccccc1[*:1] Cc1ccc(C2C[C@@H](N(N=2)C(=O)C[NH+]2CCC3(CC2)OCCO3)[*:1])c(C)c1
Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3Cl)C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(C[NH+]1CCC2(CC1)OCCO2)N1N=C(C[C@H]1c1ccccc1Cl)[*:1]
Cc1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)c(Cl)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C2C[C@H](ON=2)[*:1])c(Cl)c1
COc1ccc([C@H](C)NC(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1F CN(C)C(=O)C[*:1] COc1ccc(cc1F)[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
COc1ccc([C@H](C)NC(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1F CN(C)C(=O)[*:1] COc1ccc(cc1F)[C@H](C)NC(=O)Nc1ccc(cc1)C[*:1]
COc1ccc([C@H](C)NC(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1F COc1ccc(cc1F)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)CC(=O)N(C)C)[*:1]
CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1 O=C(N[*:1])C1CC1 CS(=O)(=O)c1ccc(F)c(c1)S(=O)(=O)[N-]c1cccc(c1)[*:1]
CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1 C1CC1[*:1] CS(=O)(=O)c1ccc(F)c(c1)S(=O)(=O)[N-]c1cccc(c1)NC(=O)[*:1]
CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1 CS(=O)(=O)[*:1] O=C(Nc1cccc(c1)[N-]S(=O)(=O)c1cc(ccc1F)[*:1])C1CC1
CN(CCc1cccs1)C(=O)c1ccc(OCC(F)(F)F)nc1 FC(F)(F)[*:1] CN(CCc1cccs1)C(=O)c1ccc(nc1)OC[*:1]
CN(CCc1cccs1)C(=O)c1ccc(OCC(F)(F)F)nc1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)c1ccc(nc1)OCC(F)(F)F
CN(CCc1cccs1)C(=O)c1ccc(OCC(F)(F)F)nc1 FC(F)(F)C[*:1] CN(CCc1cccs1)C(=O)c1ccc(nc1)O[*:1]
CN(CCc1cccs1)C(=O)c1ccc(OCC(F)(F)F)nc1 FC(F)(F)CO[*:1] CN(CCc1cccs1)C(=O)c1ccc(nc1)[*:1]
CN(CCc1cccs1)C(=O)c1ccc(OCC(F)(F)F)nc1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)c1ccc(nc1)OCC(F)(F)F
CN(CCc1cccs1)C(=O)c1ccc(OCC(F)(F)F)nc1 c1csc(c1)CC[*:1] CN(C(=O)c1ccc(nc1)OCC(F)(F)F)[*:1]
CCCCC[NH+]1CCN(C(=O)N(C)C)CC1 CCCC[*:1] CN(C)C(=O)N1CC[NH+](CC1)C[*:1]
CCCCC[NH+]1CCN(C(=O)N(C)C)CC1 CCCCC[*:1] CN(C)C(=O)N1CC[NH+](CC1)[*:1]
CCCCC[NH+]1CCN(C(=O)N(C)C)CC1 CCC[*:1] CN(C)C(=O)N1CC[NH+](CC1)CC[*:1]
Cc1ccc(N2C(=O)C[C@@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)[C@@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)[C@@H]1CC(=O)N([C@H]1c1cccs1)[*:1]
Cc1ccc(N2C(=O)C[C@@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)[C@@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)[C@H]1[*:1]
O=C(Cc1ccccc1)N[C@H](N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=C(Cc1ccccc1)N[C@H](N[C@H]1CCS(=O)(=O)C1)[*:1]
O=C(Cc1ccccc1)N[C@H](N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl c1ccc(cc1)C[*:1] O=C(N[C@H](N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl)[*:1]
O=C(Cc1ccccc1)N[C@H](N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl c1ccc(cc1)[*:1] O=C(C[*:1])N[C@H](N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2Cl)CC1 Clc1ccccc1C[*:1] O=C(c1ccc(O)cc1)N1CCN(CC1)C[*:1]
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(c1ccc(O)cc1)N1CCN(CC1)CC[*:1]
O=C(c1ccc(O)cc1)N1CCN(CCc2ccccc2Cl)CC1 Oc1ccc(cc1)[*:1] O=C(N1CCN(CCc2ccccc2Cl)CC1)[*:1]
CC(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] CC(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)[*:1]
CC(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 CC(C)[*:1] O=C(COc1ccc(Br)cc1[*:1])Nc1ccc(cc1)C(=O)N1CCOCC1
COc1cc(F)c([C@@H]([NH3+])C2(CC(C)C)CCCC2)c(F)c1 CC(C)C[*:1] COc1cc(F)c(c(F)c1)[C@@H]([NH3+])C1(CCCC1)[*:1]
COc1cc(F)c([C@@H]([NH3+])C2(CC(C)C)CCCC2)c(F)c1 CC(C)[*:1] COc1cc(F)c(c(F)c1)[C@@H]([NH3+])C1(CCCC1)C[*:1]
Cc1cc(F)cc(C(=O)NNC(=O)c2cc(Br)cn2C)c1 Cn1cc(Br)cc1[*:1] Cc1cc(F)cc(c1)C(=O)NNC(=O)[*:1]
COc1cccc(CNC(=O)CC2CCN(C(=O)[C@@H]3N=C(C)C=C3C)CC2)c1 COc1cccc(c1)C[*:1] CC1=CC(C)=N[C@H]1C(=O)N1CCC(CC1)CC(=O)N[*:1]
COc1cccc(CNC(=O)CC2CCN(C(=O)[C@@H]3N=C(C)C=C3C)CC2)c1 COc1cccc(c1)[*:1] CC1=CC(C)=N[C@H]1C(=O)N1CCC(CC1)CC(=O)NC[*:1]
CS[C@H](C)CNC(=O)C(=O)Nc1nn(-c2ccccc2Cl)cc1C Clc1ccccc1[*:1] CS[C@H](C)CNC(=O)C(=O)Nc1nn(cc1C)[*:1]
Cc1cccc(CN2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)n1 OCC[*:1] Cc1cccc(CN2CCN(C[C@H]2[*:1])c2nc(C)ccc2C#N)n1
Cc1cccc(CN2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)n1 Cc1cccc(n1)[*:1] Cc1ccc(C#N)c(n1)N1CCN(C[*:1])[C@@H](CCO)C1
Cc1cccc(CN2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)n1 Cc1cccc(C[*:1])n1 Cc1ccc(C#N)c(n1)N1CCN([C@@H](CCO)C1)[*:1]
Cc1noc(C)c1CN(C)C(=O)c1cccc(C[S@](C)=O)c1 C[S@](=O)C[*:1] Cc1noc(C)c1CN(C)C(=O)c1cccc(c1)[*:1]
Cc1noc(C)c1CN(C)C(=O)c1cccc(C[S@](C)=O)c1 Cc1noc(C)c1[*:1] CN(C[*:1])C(=O)c1cccc(c1)C[S@](C)=O
COc1cccc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 COc1cccc(n1)[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[*:1])C2CC2)o1
COc1cccc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 C1CC1[*:1] COc1cccc(n1)C(=O)N(Cc1ccc(o1)[C@H]1C[C@H]1C)[*:1]
C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OC3CCCC3)c2)C[C@H]1O C1CCC(C1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)C(=O)Nc1cccc(c1)O[*:1]
C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OC3CCCC3)c2)C[C@H]1O C1CCC(C1)O[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)cc1C CC(C)(C)S[*:1] Cc1ccc(cc1C)NC(=O)Cn1nc2ccc(nn2c1=O)[*:1]
Cc1ccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)NC(=O)Cn1nc2ccc(nn2c1=O)S[*:1]
Cc1ccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)cc1C Cc1ccc(cc1C)[*:1] CC(C)(C)Sc1ccc2nn(CC(=O)N[*:1])c(=O)n2n1
CC[NH2+][C@@H](Cc1ccc(Cl)s1)[C@@H]1C[NH+]2CCN1CC2 Clc1ccc(s1)[*:1] CC[NH2+][C@@H](C[*:1])[C@@H]1C[NH+]2CCN1CC2
COc1ccc(C)cc1N[C@@H](C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] COc1ccc(C)cc1N[C@@H](C)C(=O)N[*:1]
CCn1nnc2c(N(Cc3ccccc3)Cc3ccccc3)ncnc21 c1ccc(cc1)[*:1] CCn1nnc2c(ncnc21)N(Cc1ccccc1)C[*:1]
CCn1nnc2c(N(Cc3ccccc3)Cc3ccccc3)ncnc21 c1ccc(cc1)C[*:1] CCn1nnc2c(ncnc21)N(Cc1ccccc1)[*:1]
C[C@@H](CCCO)NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](CCCO)NC(=O)N[C@H](c1ccc(F)cc1)[*:1]
C[C@@H](CCCO)NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 C[C@@H](CCCO)[*:1] O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N[*:1]
C[C@@H](CCCO)NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] C[C@@H](CCCO)NC(=O)N[C@H]([C@@H]1CCCO1)[*:1]
C[C@@H](CCCO)NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 OCC[*:1] C[C@@H](C[*:1])NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1
C[C@@H](CCCO)NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 OCCC[*:1] C[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[*:1]
C[C@H](Sc1ccc(N)cc1Cl)C(=O)NC1CC1 C1CC1[*:1] C[C@H](Sc1ccc(N)cc1Cl)C(=O)N[*:1]
CCc1cnc(CCNC(=O)NCc2ccc(OC)c(F)c2)s1 CCc1cnc(s1)[*:1] COc1ccc(cc1F)CNC(=O)NCC[*:1]
C[C@@H]1CN(Cc2cnc3cnccn23)[C@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(Cc2cnc3cnccn23)[C@H](CO1)[*:1]
O=C(NCC1(c2cccc(F)c2)CCOCC1)c1ccc2ccccc2n1 Fc1cccc(c1)[*:1] O=C(NCC1(CCOCC1)[*:1])c1ccc2ccccc2n1
CCOc1ccccc1O[C@H]1CCC(C)(C)[C@H]1[NH2+]C CCO[*:1] C[NH2+][C@H]1[C@H](CCC1(C)C)Oc1ccccc1[*:1]
C=CC[NH2+]CC(=O)N[C@H](C)c1c(C)noc1C C=CC[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)C[NH2+][*:1]
Cc1nc(-c2ccc(CNC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)s2)cs1 Cc1nc(cs1)[*:1] O=C(NCc1ccc(s1)[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
Cc1nc(-c2ccc(CNC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)s2)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)-c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)[*:1])s1
CCC1(CNC(=O)c2cc(Br)cnc2Cl)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])c1cc(Br)cnc1Cl
O=C(O[C@@H](c1ccccc1)c1ccncc1)c1csc(-c2ccsc2)n1 c1ccc(cc1)[*:1] O=C(O[C@@H](c1ccncc1)[*:1])c1csc(n1)-c1ccsc1
O=C(O[C@@H](c1ccccc1)c1ccncc1)c1csc(-c2ccsc2)n1 c1cc(ccn1)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])c1csc(n1)-c1ccsc1
O=C(O[C@@H](c1ccccc1)c1ccncc1)c1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] O=C(O[C@@H](c1ccccc1)c1ccncc1)c1csc(n1)[*:1]
CO[C@]1(C)C[C@H](NC(=O)[C@H](C)NC(=O)c2cccs2)C1(C)C c1csc(c1)[*:1] CO[C@]1(C)C[C@H](NC(=O)[C@H](C)NC(=O)[*:1])C1(C)C
Cc1cccc(C)c1NC(=O)c1c(-c2ccc(F)cc2F)noc1C Fc1ccc(c(F)c1)[*:1] Cc1cccc(C)c1NC(=O)c1c(noc1C)[*:1]
Cc1cccc(C)c1NC(=O)c1c(-c2ccc(F)cc2F)noc1C Cc1cccc(C)c1[*:1] Cc1onc(-c2ccc(F)cc2F)c1C(=O)N[*:1]
COCCCN(C(=O)[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] COCCCN(C(=O)[C@@]1(C)CC1(Cl)Cl)[*:1]
COCCCN(C(=O)[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCS(=O)(=O)C1 COC[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)N(CC[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCS(=O)(=O)C1 COCCC[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 CC(=O)N[*:1] O=S(=O)(NCCOc1ccccc1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 c1ccc(cc1)O[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCO[*:1]
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)/C(C#N)=C1\S[C@H](C[*:1])C(=O)N1c1ccccc1
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 CCOC(=O)[*:1] N#CC(=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1)[*:1]
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1[*:1]
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 c1ccc(cc1)C[*:1] CCOC(=O)/C(C#N)=C1\S[C@H](C(=O)N1c1ccccc1)[*:1]
Cc1ccccc1NC(=O)Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O Cc1ccccc1[*:1] O=C(Cn1nc2c(cccn2c1=O)-c1nc(no1)-c1cccc(F)c1)N[*:1]
Cc1ccccc1NC(=O)Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O Cc1ccccc1NC(=O)[*:1] O=c1n(C[*:1])nc2c(cccn12)-c1nc(no1)-c1cccc(F)c1
Cc1ccccc1NC(=O)Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O Fc1cccc(c1)[*:1] Cc1ccccc1NC(=O)Cn1nc2c(cccn2c1=O)-c1nc(no1)[*:1]
Cc1ccccc1NC(=O)Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O Cc1ccccc1NC(=O)C[*:1] O=c1n(nc2c(cccn12)-c1nc(no1)-c1cccc(F)c1)[*:1]
O=C(Cc1noc(-c2ccncc2)n1)Nc1cc(Cl)cc(Cl)c1 c1cc(ccn1)[*:1] O=C(Cc1noc(n1)[*:1])Nc1cc(Cl)cc(Cl)c1
COCCNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 COCC[*:1] C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[*:1]
COCCNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 COC[*:1] C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[*:1]
CCOC(=O)/C([O-])=N/c1nnc([C@@H]2CC(=O)N(c3ccccc3CC)C2)s1 CCc1ccccc1[*:1] CCOC(=O)/C([O-])=N/c1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccco2)cc1 Cc1ccc(cc1)[*:1] Cc1nnc2S[C@@H](C(=O)NCc3ccco3)[C@H](Nn12)[*:1]
Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@H]1Nn2c(C)nnc2S[C@H]1C(=O)NC[*:1]
Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)[C@H]1Nn2c(C)nnc2S[C@H]1C(=O)N[*:1]
O=C(c1csc(-c2ccccc2Cl)n1)N1CCOC[C@@H]1CCO Clc1ccccc1[*:1] O=C(c1csc(n1)[*:1])N1CCOC[C@@H]1CCO
O=C(c1csc(-c2ccccc2Cl)n1)N1CCOC[C@@H]1CCO OCC[*:1] O=C(c1csc(n1)-c1ccccc1Cl)N1CCOC[C@H]1[*:1]
Cc1ccc(OC(=O)c2cc(C)nn2C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)OC(=O)c1cc(C)nn1[*:1]
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccnc2)n1[*:1]
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 c1cncc(c1)[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnc(n1C1CCCCC1)[*:1]
O=S(=O)(CCO)CCc1ncc(-c2ccccc2)o1 O=S(=O)(CCO)[*:1] c1ccc(cc1)-c1cnc(CC[*:1])o1
O=S(=O)(CCO)CCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=S(=O)(CCO)CCc1ncc(o1)[*:1]
O=S(=O)(CCO)CCc1ncc(-c2ccccc2)o1 OCC[*:1] O=S(=O)(CCc1ncc(o1)-c1ccccc1)[*:1]
COc1ccc(-c2cc(C(=O)NCC3CCOCC3)on2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)-c1cc(on1)C(=O)NC[*:1]
COc1ccc(-c2cc(C(=O)NCC3CCOCC3)on2)cc1 C1CC(CCO1)C[*:1] COc1ccc(cc1)-c1cc(on1)C(=O)N[*:1]
CC(C)[C@@H](Cl)[C@@H]1CCC[C@H]1C CC(C)[*:1] C[C@@H]1CCC[C@H]1[C@H](Cl)[*:1]
O=C(Nc1ccccc1C(F)(F)F)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1
O=C(Nc1ccccc1C(F)(F)F)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N[C@@H]([C@H]1CCCO1)[*:1]
Cc1cccc(CC(=O)N2CCCC[C@H]2C[C@@H](C)O)c1 C[C@@H](O)[*:1] Cc1cccc(c1)CC(=O)N1CCCC[C@H]1C[*:1]
Cc1cccc(CC(=O)N2CCCC[C@H]2C[C@@H](C)O)c1 C[C@@H](O)C[*:1] Cc1cccc(c1)CC(=O)N1CCCC[C@@H]1[*:1]
Cc1ccc(CC(=O)NCC2(c3ccccc3Cl)CC2)cc1O Clc1ccccc1[*:1] Cc1ccc(cc1O)CC(=O)NCC1(CC1)[*:1]
COc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1S(=O)(=O)NC1CC1 O=S(=O)(NC1CC1)[*:1] COc1ccc(cc1[*:1])C(=O)N(C)Cc1cccc(F)c1
COc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1S(=O)(=O)NC1CC1 C1CC1[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N(C)Cc1cccc(F)c1
COc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1S(=O)(=O)NC1CC1 Fc1cccc(c1)[*:1] COc1ccc(cc1S(=O)(=O)NC1CC1)C(=O)N(C)C[*:1]
COc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1S(=O)(=O)NC1CC1 Fc1cccc(c1)C[*:1] COc1ccc(cc1S(=O)(=O)NC1CC1)C(=O)N(C)[*:1]
Cn1cc(C(=O)NCCc2ccccc2)c(C(=O)[O-])n1 O=C([O-])[*:1] Cn1cc(C(=O)NCCc2ccccc2)c(n1)[*:1]
Cn1cc(C(=O)NCCc2ccccc2)c(C(=O)[O-])n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)NCC[*:1])c(n1)C(=O)[O-]
CN(C)C(=O)C[C@H](C[NH3+])N1CCC(C[NH+](C)C)CC1 CN(C)C(=O)[*:1] C[NH+](C)CC1CCN(CC1)[C@@H](C[NH3+])C[*:1]
CN(C)C(=O)C[C@H](C[NH3+])N1CCC(C[NH+](C)C)CC1 CN(C)C(=O)C[*:1] C[NH+](C)CC1CCN(CC1)[C@@H](C[NH3+])[*:1]
C[C@H]1CC(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C[C@H](C)O1 Clc1cccc(c1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCCC[NH+]1CCN(CC1)[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)Cc1ccc(Cl)cc1 Cc1noc(C)c1CS[*:1] C[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccnc1[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)C[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)Cc1ccc(Cl)cc1 Cc1noc(C)c1[*:1] C[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccnc1SC[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)Cc1ccc(Cl)cc1 Cc1noc(C)c1C[*:1] C[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccnc1S[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)[*:1]
O=C1NC2=C(C(=O)N(Cc3ccc(F)cc3)C2)[C@H](c2ccccc2F)N1 Fc1ccccc1[*:1] O=C1NC2CN(Cc3ccc(F)cc3)C(=O)C=2[C@H](N1)[*:1]
O=C1NC2=C(C(=O)N(Cc3ccc(F)cc3)C2)[C@H](c2ccccc2F)N1 Fc1ccc(cc1)C[*:1] O=C1NC2CN(C(=O)C=2[C@@H](N1)c1ccccc1F)[*:1]
O=C1NC2=C(C(=O)N(Cc3ccc(F)cc3)C2)[C@H](c2ccccc2F)N1 Fc1ccc(cc1)[*:1] O=C1NC2CN(C[*:1])C(=O)C=2[C@@H](N1)c1ccccc1F
O=C(Cc1ccccn1)NNC(=O)C1(c2ccc(F)cc2F)CCCC1 c1ccc(C[*:1])nc1 O=C(NNC(=O)[*:1])C1(CCCC1)c1ccc(F)cc1F
O=C(Cc1ccccn1)NNC(=O)C1(c2ccc(F)cc2F)CCCC1 c1ccc(nc1)[*:1] O=C(C[*:1])NNC(=O)C1(CCCC1)c1ccc(F)cc1F
O=C(Cc1ccccn1)NNC(=O)C1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] O=C(Cc1ccccn1)NNC(=O)C1(CCCC1)[*:1]
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cc(C)cc(C)c2)c1 Cc1cc(C)cc(c1)[*:1] COc1cccc(c1)NC(=O)N(Cc1nc2CCCCCn2n1)[*:1]
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cc(C)cc(C)c2)c1 COc1cccc(c1)[*:1] Cc1cc(C)cc(c1)N(Cc1nc2CCCCCn2n1)C(=O)N[*:1]
CCCOc1cc(S(=O)(=O)NCc2ccco2)ccc1Cl c1coc(c1)C[*:1] CCCOc1cc(ccc1Cl)S(=O)(=O)N[*:1]
CCCOc1cc(S(=O)(=O)NCc2ccco2)ccc1Cl c1coc(c1)[*:1] CCCOc1cc(ccc1Cl)S(=O)(=O)NC[*:1]
CCCOc1cc(S(=O)(=O)NCc2ccco2)ccc1Cl CCCO[*:1] O=S(=O)(NCc1ccco1)c1ccc(Cl)c(c1)[*:1]
CCCOc1cc(S(=O)(=O)NCc2ccco2)ccc1Cl CCC[*:1] O=S(=O)(NCc1ccco1)c1ccc(Cl)c(c1)O[*:1]
CNC(=O)NC(=O)[C@H](C)Nc1ccccc1CCC(F)(F)F FC(F)(F)CC[*:1] CNC(=O)NC(=O)[C@H](C)Nc1ccccc1[*:1]
CNC(=O)NC(=O)[C@H](C)Nc1ccccc1CCC(F)(F)F FC(F)(F)C[*:1] CNC(=O)NC(=O)[C@H](C)Nc1ccccc1C[*:1]
CNC(=O)NC(=O)[C@H](C)Nc1ccccc1CCC(F)(F)F CNC(=O)NC(=O)[*:1] C[C@H](Nc1ccccc1CCC(F)(F)F)[*:1]
CNC(=O)NC(=O)[C@H](C)Nc1ccccc1CCC(F)(F)F FC(F)(F)[*:1] CNC(=O)NC(=O)[C@H](C)Nc1ccccc1CC[*:1]
Cc1cccc([C@@H](O)C2(N3CCOCC3)CCCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H](O)C1(CCCC1)[*:1]
CCn1nc(C)c(CNC(=O)CCCc2cc(C)sc2C)c1C Cc1cc(c(C)s1)[*:1] CCn1nc(C)c(CNC(=O)CCC[*:1])c1C
NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NCC[C@H]3C[C@H]4CC[C@@H]3C4)cc12 NC(=O)[*:1] O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccccc1Br CC[C@@H](CO)[*:1] C[C@H](NC(=O)N[*:1])c1ccccc1Br
CCC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)C C1CC1[*:1] CCC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]([NH+](C)C)[*:1]
O=C1CN(C(=O)c2ccccc2CCc2ccccc2)CCN1 c1ccc(cc1)[*:1] O=C1CN(CCN1)C(=O)c1ccccc1CC[*:1]
O=C1CN(C(=O)c2ccccc2CCc2ccccc2)CCN1 c1ccc(cc1)C[*:1] O=C1CN(CCN1)C(=O)c1ccccc1C[*:1]
C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)N[*:1]
Cc1nc([C@H](Nc2ncc(C(N)=O)cc2Cl)c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] NC(=O)c1cnc(N[C@H](c2ccccc2)[*:1])c(Cl)c1
Cc1nc([C@H](Nc2ncc(C(N)=O)cc2Cl)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@H](Nc1ncc(cc1Cl)C(N)=O)[*:1]
Cc1nc([C@H](Nc2ncc(C(N)=O)cc2Cl)c2ccccc2)n[nH]1 NC(=O)[*:1] Cc1nc(n[nH]1)[C@H](Nc1ncc(cc1Cl)[*:1])c1ccccc1
COC(=O)C1(NC(=O)c2cc(C)on2)CCCCC1 COC(=O)[*:1] Cc1cc(no1)C(=O)NC1(CCCCC1)[*:1]
COC(=O)C1(NC(=O)c2cc(C)on2)CCCCC1 Cc1cc(no1)[*:1] COC(=O)C1(CCCCC1)NC(=O)[*:1]
O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(F)c(F)c2)c1 O=[N+]([O-])[*:1] Fc1ccc(cc1F)NC(=S)Nc1cccc(c1)[*:1]
COc1ccccc1-n1cnc2cc(NC(=O)c3cccs3)ccc21 c1csc(c1)[*:1] COc1ccccc1-n1cnc2cc(ccc21)NC(=O)[*:1]
COc1ccccc1-n1cnc2cc(NC(=O)c3cccs3)ccc21 O=C(N[*:1])c1cccs1 COc1ccccc1-n1cnc2cc(ccc21)[*:1]
COc1ccccc1-n1cnc2cc(NC(=O)c3cccs3)ccc21 COc1ccccc1[*:1] O=C(Nc1ccc2c(c1)ncn2[*:1])c1cccs1
COc1ccc(-c2cc(=O)n(CC(=O)NCc3ccccn3)cn2)cc1 c1ccc(C[*:1])nc1 COc1ccc(cc1)-c1cc(=O)n(cn1)CC(=O)N[*:1]
COc1ccc(-c2cc(=O)n(CC(=O)NCc3ccccn3)cn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)-c1cc(=O)n(cn1)CC(=O)NC[*:1]
COc1ccc(-c2cc(=O)n(CC(=O)NCc3ccccn3)cn2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1cnc(cc1=O)[*:1])NCc1ccccn1
CNC(=O)c1ccc(Sc2nnc(-c3cccs3)n2C)c([N+](=O)[O-])c1 CNC(=O)[*:1] Cn1c(nnc1-c1cccs1)Sc1ccc(cc1[N+](=O)[O-])[*:1]
CNC(=O)c1ccc(Sc2nnc(-c3cccs3)n2C)c([N+](=O)[O-])c1 c1csc(c1)[*:1] CNC(=O)c1ccc(Sc2nnc(n2C)[*:1])c(c1)[N+](=O)[O-]
CNC(=O)c1ccc(Sc2nnc(-c3cccs3)n2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(Sc2nnc(-c3cccs3)n2C)c(c1)[*:1]
Cc1ccccc1OCCCNC(=O)c1cc(F)ccc1F Cc1ccccc1[*:1] O=C(NCCCO[*:1])c1cc(F)ccc1F
CCCn1/c(=N/C(=O)CC)sc2c(OC)ccc(OC)c21 CCC[*:1] CCC(=O)/N=c1\sc2c(ccc(OC)c2n1[*:1])OC
C=CCNC(=S)NNC(=O)c1csc(-c2ccsc2)n1 C=CC[*:1] O=C(NNC(=S)N[*:1])c1csc(n1)-c1ccsc1
C=CCNC(=S)NNC(=O)c1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] C=CCNC(=S)NNC(=O)c1csc(n1)[*:1]
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C)n2)c(Br)c1 Cc1nc(C[*:1])no1 Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3[*:1])c(Br)c1
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C)n2)c(Br)c1 Cc1nc(no1)[*:1] Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C[*:1])c(Br)c1
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C)n2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] Cc1nc(Cn2c(=O)oc3cc(ccc32)S(=O)(=O)[N-][*:1])no1
CCOC(=O)c1ccc(N2CCN(c3ccc(Br)cn3)CC2)nc1 Brc1ccc(nc1)[*:1] CCOC(=O)c1ccc(nc1)N1CCN(CC1)[*:1]
CCOC(=O)c1ccc(N2CCN(c3ccc(Br)cn3)CC2)nc1 CCOC(=O)[*:1] Brc1ccc(nc1)N1CCN(CC1)c1ccc(cn1)[*:1]
C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1=O c1ccc(cc1)C[*:1] C[C@@]1(C[*:1])NC(=O)N(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1=O
C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1=O c1ccc(cc1)CC[*:1] C[C@]1(NC(=O)N(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1=O)[*:1]
C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1=O c1ccc(cc1)[*:1] C[C@@]1(CC[*:1])NC(=O)N(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1=O
C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1=O c1ccc(cc1)[*:1] C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3noc(c3c2)[*:1])C1=O
COc1ccccc1C(=O)NNC(=O)CNc1nc2ccccc2s1 COc1ccccc1[*:1] O=C(CNc1nc2ccccc2s1)NNC(=O)[*:1]
C=CCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C=CCCCOc1ccc(cc1[*:1])C(=O)[O-]
C=CCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] O=C([O-])[*:1] C=CCCCOc1ccc(cc1[N+](=O)[O-])[*:1]
C=CCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] C=CC[*:1] O=C([O-])c1ccc(OCC[*:1])c(c1)[N+](=O)[O-]
C=CCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] C=CCCC[*:1] O=C([O-])c1ccc(O[*:1])c(c1)[N+](=O)[O-]
C=CCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] C=CCC[*:1] O=C([O-])c1ccc(OC[*:1])c(c1)[N+](=O)[O-]
C=CCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] C=CCCCO[*:1] O=C([O-])c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1c(Cl)cccc1NC(=O)c1occc1COc1ccccc1 Cc1c(Cl)cccc1[*:1] O=C(N[*:1])c1occc1COc1ccccc1
Cc1c(Cl)cccc1NC(=O)c1occc1COc1ccccc1 c1ccc(cc1)O[*:1] Cc1c(Cl)cccc1NC(=O)c1occc1C[*:1]
Cc1c(Cl)cccc1NC(=O)c1occc1COc1ccccc1 c1ccc(cc1)OC[*:1] Cc1c(Cl)cccc1NC(=O)c1occc1[*:1]
Cc1c(Cl)cccc1NC(=O)c1occc1COc1ccccc1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)c1occc1CO[*:1]
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)CCCC(C)C CC(C)[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](C)CCC[*:1]
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)CCCC(C)C CC(C)CCC[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](C)[*:1]
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)CCCC(C)C CC(C)C[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](C)CC[*:1]
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)CCCC(C)C CC(C)CC[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](C)C[*:1]
CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)C)CC2)C(=O)N1CCN(C)CC1 CC(C)[*:1] CC[C@H](Oc1ccc2CCN(C(=O)[*:1])[C@H](c3cccc(F)c3)c2c1)C(=O)N1CCN(C)CC1
CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)C)CC2)C(=O)N1CCN(C)CC1 Fc1cccc(c1)[*:1] CC[C@H](Oc1ccc2CCN(C(=O)C(C)C)[C@H](c2c1)[*:1])C(=O)N1CCN(C)CC1
CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)C)CC2)C(=O)N1CCN(C)CC1 CN1CCN(CC1)C(=O)[*:1] CC[C@H](Oc1ccc2CCN(C(=O)C(C)C)[C@H](c3cccc(F)c3)c2c1)[*:1]
CCc1c(C(=O)CNc2ccccc2C)[nH]c(C)c1C(C)=O Cc1ccccc1[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)CN[*:1]
CCc1c(C(=O)CNc2ccccc2C)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)CNc1ccccc1C
CCONC(=O)CN(C)c1ccccc1[N+](=O)[O-] CCONC(=O)[*:1] CN(C[*:1])c1ccccc1[N+](=O)[O-]
CCONC(=O)CN(C)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCONC(=O)CN(C)c1ccccc1[*:1]
COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] COc1ccc(Br)cc1S(=O)(=O)N[*:1]
COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C(C)C CC(C)[*:1] COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)[*:1]
COC(=O)[C@@H](CNC(=O)c1ccn2cncc2c1)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] COC(=O)[C@@H](CNC(=O)c1ccn2cncc2c1)[*:1]
COC(=O)[C@@H](CNC(=O)c1ccn2cncc2c1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H](CNC(=O)c1ccn2cncc2c1)O[*:1]
COC(=O)[C@@H](CNC(=O)c1ccn2cncc2c1)Oc1ccc(F)cc1 COC(=O)[*:1] O=C(NC[C@@H](Oc1ccc(F)cc1)[*:1])c1ccn2cncc2c1
Cc1ncsc1CNC(=O)[C@H](C)CC1CCCC1 C1CCC(C1)C[*:1] Cc1ncsc1CNC(=O)[C@H](C)[*:1]
Cc1ncsc1CNC(=O)[C@H](C)CC1CCCC1 Cc1ncsc1[*:1] C[C@H](CC1CCCC1)C(=O)NC[*:1]
Cc1ncsc1CNC(=O)[C@H](C)CC1CCCC1 C1CCC(C1)[*:1] Cc1ncsc1CNC(=O)[C@H](C)C[*:1]
CC1(C)CSC[C@H](Nc2cc(Cl)ccc2-n2cccn2)C1 c1cnn(c1)[*:1] CC1(C)CSC[C@@H](C1)Nc1cc(Cl)ccc1[*:1]
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC2(CCCC2)c2c(F)cccc21 O=C([O-])[*:1] O=C([C@H]1C[C@H]1[*:1])N1CC2(CCCC2)c2c(F)cccc21
COc1ccc(CNC(=O)CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2C)cc1 COc1ccc(cc1)C[*:1] CN1C(=O)CN(C[C@@]1(C)C(=O)NCC(=O)N[*:1])S(C)(=O)=O
COc1ccc(CNC(=O)CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)CN(C[C@@]1(C)C(=O)NCC(=O)NC[*:1])S(C)(=O)=O
O=C(CS(=O)(=O)Cc1noc(C2CC2)n1)Nc1ccc(F)c(F)c1 C1CC1[*:1] O=C(CS(=O)(=O)Cc1noc(n1)[*:1])Nc1ccc(F)c(F)c1
O=C(CS(=O)(=O)Cc1noc(C2CC2)n1)Nc1ccc(F)c(F)c1 C1CC1c1nc(no1)[*:1] O=C(CS(=O)(=O)C[*:1])Nc1ccc(F)c(F)c1
O=C(CS(=O)(=O)Cc1noc(C2CC2)n1)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CS(=O)(=O)Cc1noc(n1)C1CC1)N[*:1]
N#Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)c1 N#Cc1cccc(c1)[*:1] O=S(=O)([N-]c1cccc(c1)-c1nnc2CCCCCn21)[*:1]
O=C(CSCc1ccccc1)N(Cc1ccsc1)C1CC1 c1cc(cs1)[*:1] O=C(CSCc1ccccc1)N(C[*:1])C1CC1
O=C(CSCc1ccccc1)N(Cc1ccsc1)C1CC1 c1ccc(cc1)C[*:1] O=C(CS[*:1])N(Cc1ccsc1)C1CC1
O=C(CSCc1ccccc1)N(Cc1ccsc1)C1CC1 c1cc(cs1)C[*:1] O=C(CSCc1ccccc1)N(C1CC1)[*:1]
O=C(CSCc1ccccc1)N(Cc1ccsc1)C1CC1 c1ccc(cc1)[*:1] O=C(CSC[*:1])N(Cc1ccsc1)C1CC1
O=C(CSCc1ccccc1)N(Cc1ccsc1)C1CC1 C1CC1[*:1] O=C(CSCc1ccccc1)N(Cc1ccsc1)[*:1]
Cc1nn(CN2CCN(c3cccc(Cl)c3)CC2)c(=S)n1Cc1ccccc1 Clc1cccc(c1)[*:1] Cc1nn(CN2CCN(CC2)[*:1])c(=S)n1Cc1ccccc1
Cc1nn(CN2CCN(c3cccc(Cl)c3)CC2)c(=S)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(CN2CCN(CC2)c2cccc(Cl)c2)c(=S)n1[*:1]
Cc1nn(CN2CCN(c3cccc(Cl)c3)CC2)c(=S)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(CN2CCN(CC2)c2cccc(Cl)c2)c(=S)n1C[*:1]
CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)CN2C1=O FC(F)(F)[*:1] CC(C)C[C@H]1NC(=O)[C@@H]2C[C@@H](CN2C1=O)NC(=O)c1ccc(cc1)[*:1]
CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)CN2C1=O CC(C)C[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](C(=O)N2C1)[*:1])c1ccc(cc1)C(F)(F)F
CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)CN2C1=O CC(C)[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@H](C[*:1])C(=O)N2C1)c1ccc(cc1)C(F)(F)F
CC(C)(C)Sc1ccc(NC(=O)NCC2(O)CCCCCC2)cc1 CC(C)(C)[*:1] O=C(NCC1(O)CCCCCC1)Nc1ccc(cc1)S[*:1]
CC(C)(C)Sc1ccc(NC(=O)NCC2(O)CCCCCC2)cc1 CC(C)(C)S[*:1] O=C(NCC1(O)CCCCCC1)Nc1ccc(cc1)[*:1]
CC(C)(C)Sc1ccc(NC(=O)NCC2(O)CCCCCC2)cc1 OC1(CCCCCC1)[*:1] CC(C)(C)Sc1ccc(cc1)NC(=O)NC[*:1]
Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)Nc3ccccc3F)cc21 Fc1ccccc1[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)N[*:1])N1CCCCC1
Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)Nc3ccccc3F)cc21 C1CCN(CC1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)Nc1ccccc1F)[*:1]
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@]1(Cn2nc(cc2C(=O)N1c1ccc(F)cc1)-c1cccs1)C(=O)NC[*:1]
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@]1(Cn2nc(cc2C(=O)N1[*:1])-c1cccs1)C(=O)NCc1ccc(F)cc1
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccc(F)cc1 c1csc(c1)[*:1] C[C@]1(Cn2nc(cc2C(=O)N1c1ccc(F)cc1)[*:1])C(=O)NCc1ccc(F)cc1
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@]1(Cn2nc(cc2C(=O)N1c1ccc(F)cc1)-c1cccs1)C(=O)N[*:1]
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccc(F)cc1 O=C(NCc1ccc(F)cc1)[*:1] C[C@]1(Cn2nc(cc2C(=O)N1c1ccc(F)cc1)-c1cccs1)[*:1]
O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1
COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)C[NH2+]Cc1c[nH]nc1[*:1]
COc1cccc(C(=O)NC(C)(C)c2nc(C)cs2)c1F Cc1csc(n1)[*:1] COc1cccc(C(=O)NC(C)(C)[*:1])c1F
Cc1ccc(NC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)NC(=O)N1CCCN(CC1)C(=O)[*:1]
Cc1ccc(NC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)cc1C Cc1ccc(cc1C)[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)N[*:1]
CC(C)(C)C(=O)N1CCCC[C@H]1[C@H]1CCCCC1=O CC(C)(C)[*:1] O=C1CCCC[C@@H]1[C@@H]1CCCCN1C(=O)[*:1]
C[S@@](=O)c1c(Cl)cc(Cl)c(N)c1[N+](=O)[O-] O=[N+]([O-])[*:1] C[S@@](=O)c1c(Cl)cc(Cl)c(N)c1[*:1]
C[C@@H](Sc1nnnn1-c1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](Sc1nnnn1-c1cccc(Cl)c1)C(=O)N[*:1]
C[C@@H](Sc1nnnn1-c1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1 Clc1cccc(c1)[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)Nc1ccc(Br)cc1
Cc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1ccc(F)cc1S(=O)(=O)N(C)C[*:1]
O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C1CCN(C(=O)c2cccs2)CC1 Clc1ccc(cc1)OC[*:1] O=C(Nc1nnc(s1)[*:1])C1CCN(CC1)C(=O)c1cccs1
O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C1CCN(C(=O)c2cccs2)CC1 Clc1ccc(cc1)O[*:1] O=C(Nc1nnc(C[*:1])s1)C1CCN(CC1)C(=O)c1cccs1
O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C1CCN(C(=O)c2cccs2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1nnc(CO[*:1])s1)C1CCN(CC1)C(=O)c1cccs1
Cc1nnc(-c2ccccc2/C=C/c2ccccc2)o1 Cc1nnc(o1)[*:1] C(=C/c1ccccc1[*:1])\c1ccccc1
Cc1nnc(-c2ccccc2/C=C/c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1nnc(o1)-c1ccccc1C=C[*:1]
CN(C)[C@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cccs1 c1csc(c1)[*:1] CN(C)[C@H](CNC(=O)c1cc(nc2ccccc12)-c1cccnc1)[*:1]
CN(C)[C@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cccs1 c1cncc(c1)[*:1] CN(C)[C@H](CNC(=O)c1cc(nc2ccccc12)[*:1])c1cccs1
CN(C)[C@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cccs1 CN(C)[*:1] O=C(NC[C@H](c1cccs1)[*:1])c1cc(nc2ccccc12)-c1cccnc1
Cc1ccc(CNC(=O)[C@H]2SC(=S)n3c2nc(=O)c2cc(Cl)ccc23)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1SC(=S)n2c1nc(=O)c1cc(Cl)ccc12
Cc1ccc(CNC(=O)[C@H]2SC(=S)n3c2nc(=O)c2cc(Cl)ccc23)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1SC(=S)n2c1nc(=O)c1cc(Cl)ccc12
N#Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 N#Cc1ccccc1[*:1] O=C(N[*:1])[C@@H]1C[C@H]1c1ccc(cc1)OC(F)(F)F
N#Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] N#Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(cc1)[*:1]
N#Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] N#Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(cc1)O[*:1]
Cc1nnsc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 Cc1nnsc1[*:1] CC(C)CCN1C[C@]2(CCCN(C2)C(=O)[*:1])CCC1=O
Cc1nnsc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 CC(C)C[*:1] Cc1nnsc1C(=O)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
Cc1nnsc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 CC(C)CC[*:1] Cc1nnsc1C(=O)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
Cc1nnsc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 CC(C)[*:1] Cc1nnsc1C(=O)N1CCC[C@@]2(CCC(=O)N(CC[*:1])C2)C1
CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2nnnn2C2CC2)C1 C1CC1n1nnnc1[*:1] CN(Cc1noc(n1)C1CC1)[C@@H]1CCN(C1)C[*:1]
CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2nnnn2C2CC2)C1 C1CC1[*:1] CN(Cc1noc(n1)[*:1])[C@@H]1CCN(Cc2nnnn2C2CC2)C1
CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2nnnn2C2CC2)C1 C1CC1c1nc(no1)[*:1] CN(C[*:1])[C@@H]1CCN(Cc2nnnn2C2CC2)C1
CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(Cc2nnnn2C2CC2)C1 C1CC1[*:1] CN(Cc1noc(n1)C1CC1)[C@@H]1CCN(Cc2nnnn2[*:1])C1
COCCC1(C[NH2+]Cc2c(C)cccc2C)CC1 COC[*:1] Cc1cccc(C)c1C[NH2+]CC1(CC1)C[*:1]
COCCC1(C[NH2+]Cc2c(C)cccc2C)CC1 COCC[*:1] Cc1cccc(C)c1C[NH2+]CC1(CC1)[*:1]
C[C@H](NC(=O)c1cccnc1OCC(F)F)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)c1cccnc1OCC(F)F)[*:1]
C[C@H](NC(=O)c1cccnc1OCC(F)F)[C@H]1CCCO1 FC(F)[*:1] C[C@H](NC(=O)c1cccnc1OC[*:1])[C@H]1CCCO1
C[C@H](NC(=O)c1cccnc1OCC(F)F)[C@H]1CCCO1 FC(F)C[*:1] C[C@H](NC(=O)c1cccnc1O[*:1])[C@H]1CCCO1
C[C@H](NC(=O)c1cccnc1OCC(F)F)[C@H]1CCCO1 FC(F)CO[*:1] C[C@H](NC(=O)c1cccnc1[*:1])[C@H]1CCCO1
Cc1nc2c(c(C)c1CC(=O)NC[C@H](c1ccccc1)C(C)C)c(=O)[nH]n2C c1ccc(cc1)[*:1] Cc1nc2c(c(C)c1CC(=O)NC[C@H](C(C)C)[*:1])c(=O)[nH]n2C
Cc1nc2c(c(C)c1CC(=O)NC[C@H](c1ccccc1)C(C)C)c(=O)[nH]n2C CC(C)[*:1] Cc1nc2c(c(C)c1CC(=O)NC[C@H](c1ccccc1)[*:1])c(=O)[nH]n2C
CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(C3CCCCC3)cc2)CC1 C1CCC(CC1)[*:1] CC[NH+]1CCN(CC1)[C@@H](C)CNC(=O)c1ccc(cc1)[*:1]
COC(=O)[C@@H]1NS(=O)(=O)c2ccsc2C1=O COC(=O)[*:1] O=C1c2sccc2S(=O)(=O)N[C@H]1[*:1]
C[C@H](C(=O)NCc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] C[C@H](C(=O)NC[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
C[C@H](C(=O)NCc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 c1ccc(cc1)C[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
C[C@H](C(=O)NCc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] C[C@H](C(=O)NCc1ccccc1)N1CCN(CC1)[*:1]
C[C@H](C(=O)NCc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@H](C(=O)NCc1ccccc1)N1CCN(CC1)C[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H](C)CCc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H](C)C[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H](C)CCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H](C)CC[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H](C)CCc1ccc(O)cc1 Oc1ccc(cc1)CC[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H](C)[*:1]
N#CC1(C#N)[C@H](C(N)=O)[C@@H]1c1ccc(F)cc1 NC(=O)[*:1] N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@@H]1[*:1]
COCC1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)CC1 COC[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH+]1CCC(CC1)[*:1]
COCC1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)CC1 Fc1ccc(cc1)[*:1] COCC1CC[NH+](CC1)Cc1c(C)nn(c1Cl)[*:1]
CC(=O)N(C)c1cccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1 Clc1cccc(c1)C[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)C(=O)N[*:1]
CC(=O)N(C)c1cccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1 CC(=O)N(C)[*:1] O=C(NCc1cccc(Cl)c1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)C(=O)NC[*:1]
CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cc(C)c(OC)cc1C)[NH2+]C2 CCO[*:1] CCOc1cc2C[NH2+][C@H](c3cc(C)c(cc3C)OC)c3cccn3-c2cc1[*:1]
CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cc(C)c(OC)cc1C)[NH2+]C2 COc1cc(C)c(cc1C)[*:1] CCOc1cc2C[NH2+][C@H](c3cccn3-c2cc1OCC)[*:1]
CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cc(C)c(OC)cc1C)[NH2+]C2 CCO[*:1] CCOc1cc2c(cc1[*:1])C[NH2+][C@H](c1cc(C)c(cc1C)OC)c1cccn1-2
O=Cc1ccc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=Cc1ccc(c(c1)[*:1])N1CCC[C@H](C1)c1nc2ccccc2[nH]1
Cc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1 Clc1ccc(s1)[*:1] Cc1cc2c(ncnc2s1)SCC(=O)[*:1]
NC(=O)c1cc(NC(=O)NNc2ccccc2F)ccc1F Fc1ccccc1[*:1] NC(=O)c1cc(ccc1F)NC(=O)NN[*:1]
NC(=O)c1cc(NC(=O)NNc2ccccc2F)ccc1F NC(=O)[*:1] O=C(NNc1ccccc1F)Nc1ccc(F)c(c1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)C(C)(C)C)c(Br)c1 CC(C)(C)[*:1] Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[*:1])c(Br)c1
Cc1cccc(-n2ncc(C(=O)Nc3ccccc3)c2C2CC[NH2+]CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-n1ncc(C(=O)N[*:1])c1C1CC[NH2+]CC1
Cc1cccc(-n2ncc(C(=O)Nc3ccccc3)c2C2CC[NH2+]CC2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1)c1cnn(c1C1CC[NH2+]CC1)[*:1]
Cc1cccc(-n2ncc(C(=O)Nc3ccccc3)c2C2CC[NH2+]CC2)c1 O=C(Nc1ccccc1)[*:1] Cc1cccc(c1)-n1ncc(c1C1CC[NH2+]CC1)[*:1]
COc1ccc(C(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)C(=O)N(Cc1c(F)cccc1Cl)[*:1]
COc1ccc(C(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)cc1 COc1ccc(cc1)[*:1] O=C(N(Cc1ccco1)Cc1c(F)cccc1Cl)[*:1]
COc1ccc(C(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)cc1 Fc1cccc(Cl)c1[*:1] COc1ccc(cc1)C(=O)N(Cc1ccco1)C[*:1]
COc1ccc(C(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C(=O)N(Cc1c(F)cccc1Cl)C[*:1]
Cc1noc(CCC(=O)NC[C@@H]2C[C@]23CCc2ccccc23)n1 Cc1noc(n1)[*:1] O=C(CC[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
Cc1noc(CCC(=O)NC[C@@H]2C[C@]23CCc2ccccc23)n1 Cc1noc(C[*:1])n1 O=C(C[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
O=C(C[C@@H]1C=CCC1)Nc1ccc(-n2cncn2)nc1 c1ncn(n1)[*:1] O=C(C[C@@H]1C=CCC1)Nc1ccc(nc1)[*:1]
COc1cc(/C=C/C(=O)Nc2nnc(Cc3ccccc3)s2)cc2c1OCCO2 c1ccc(cc1)[*:1] COc1cc(/C=C/C(=O)Nc2nnc(C[*:1])s2)cc2OCCOc12
COc1cc(/C=C/C(=O)Nc2nnc(Cc3ccccc3)s2)cc2c1OCCO2 c1ccc(cc1)C[*:1] COc1cc(/C=C/C(=O)Nc2nnc(s2)[*:1])cc2OCCOc12
N#Cc1cccc(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)c1 N#Cc1cccc(c1)[*:1] O=C(CSc1cc(ncn1)NCc1ccc(Cl)cc1)N[*:1]
N#Cc1cccc(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)c1 Clc1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)CSc1cc(ncn1)NC[*:1]
N#Cc1cccc(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)c1 Clc1ccc(cc1)C[*:1] N#Cc1cccc(c1)NC(=O)CSc1cc(ncn1)N[*:1]
N#Cc1cccc(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)c1 Clc1ccc(cc1)CN[*:1] N#Cc1cccc(c1)NC(=O)CSc1cc(ncn1)[*:1]
CCC1=C(C(=O)OC)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1 COC(=O)[*:1] CCC1NC(=S)N[C@H](C=1[*:1])c1ccccc1C(F)(F)F
CCC1=C(C(=O)OC)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1 FC(F)(F)[*:1] CCC1NC(=S)N[C@H](C=1C(=O)OC)c1ccccc1[*:1]
CC(C)n1nnnc1S[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 CC(C)n1nnnc1[*:1] C[C@H](S[*:1])c1nc(N)nc(n1)Nc1ccccc1
CC(C)n1nnnc1S[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)n1nnnc1S[C@@H](C)c1nc(N)nc(n1)N[*:1]
CC(C)n1nnnc1S[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 CC(C)[*:1] C[C@H](Sc1nnnn1[*:1])c1nc(N)nc(n1)Nc1ccccc1
CC(C)n1nnnc1S[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] CC(C)n1nnnc1S[C@@H](C)c1nc(N)nc(n1)[*:1]
NC(=[NH2+])Sc1cn(Cc2ccc(Cl)cc2)c2ccccc12 Clc1ccc(cc1)[*:1] NC(=[NH2+])Sc1cn(C[*:1])c2ccccc12
O=C(Cc1csc(-c2ccccn2)n1)NCC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1ccccn1)NCC1(CC1)[*:1]
O=C(Cc1csc(-c2ccccn2)n1)NCC1(c2ccccc2)CC1 c1ccc(nc1)[*:1] O=C(Cc1csc(n1)[*:1])NCC1(CC1)c1ccccc1
Cc1ocnc1CNC(=O)N[C@H]1CCOc2c(Cl)cccc21 Cc1ocnc1[*:1] O=C(NC[*:1])N[C@H]1CCOc2c(Cl)cccc21
Cc1ocnc1CNC(=O)N[C@H]1CCOc2c(Cl)cccc21 Cc1ocnc1C[*:1] O=C(N[C@H]1CCOc2c(Cl)cccc21)N[*:1]
CC(C)NC(=O)c1ccc2c(c1)NC(=O)CS2 CC(C)[*:1] O=C1CSc2ccc(cc2N1)C(=O)N[*:1]
COc1ccc(C2(CNC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CCOCC2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(C2(CNC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NCC1(CCOCC1)[*:1]
C[C@@H](Cc1ccccn1)n1cnc2c(F)cccc2c1=O c1ccc(C[*:1])nc1 C[C@@H](n1cnc2c(F)cccc2c1=O)[*:1]
C[C@@H](Cc1ccccn1)n1cnc2c(F)cccc2c1=O c1ccc(nc1)[*:1] C[C@@H](C[*:1])n1cnc2c(F)cccc2c1=O
CCCc1cc(NC(=O)C(=O)NCc2ccccc2Cl)n(C)n1 Clc1ccccc1[*:1] CCCc1cc(NC(=O)C(=O)NC[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)NCc2ccccc2Cl)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)C(=O)NCc1ccccc1Cl)[*:1]
COc1ccc(Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)Cc1nc(C)c(C[*:1])c(=O)[nH]1
COc1ccc(Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1OC O=C([O-])C[*:1] COc1ccc(cc1OC)Cc1nc(C)c(c(=O)[nH]1)[*:1]
CCCCN(C)c1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] Clc1ncccc1[*:1] CCCCN(C)c1ncnc(N[*:1])c1[N+](=O)[O-]
CCCCN(C)c1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] CCCC[*:1] CN(c1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-])[*:1]
CCCCN(C)c1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCCN(C)c1ncnc(Nc2cccnc2Cl)c1[*:1]
CCCCN(C)c1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] CCCCN(C)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cccnc1Cl
CCCCN(C)c1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] CCC[*:1] CN(C[*:1])c1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-]
N#CC(C#N)=CNCCCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O N#CC(C#N)=C[*:1] O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCN[*:1]
N#CC(C#N)=CNCCCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O N#CC(C#N)=CN[*:1] O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCC[*:1]
COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)[C@@H](C)OC(=O)[*:1]
COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)O[C@H](C)C(=O)NC[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)C1CCCCC1 CC(C)(C)[*:1] O=C(C[C@H]1CCCN1C(=O)O[*:1])C1CCCCC1
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)C1CCCCC1 C1CCC(CC1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)[*:1]
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 FC(F)(F)O[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 FC(F)(F)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1ccsc1C(=O)[O-] CC(C)[C@H](CO)[*:1] O=C([O-])c1sccc1S(=O)(=O)N[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1ccsc1C(=O)[O-] CC(C)[*:1] O=C([O-])c1sccc1S(=O)(=O)N[C@@H](CO)[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1ccsc1C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](CO)NS(=O)(=O)c1ccsc1[*:1]
CC(C)[NH2+]CC1CC[NH+](CCSc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[NH2+]CC1CC[NH+](CCS[*:1])CC1
CC(C)[NH2+]CC1CC[NH+](CCSc2ccccc2)CC1 CC(C)[*:1] c1ccc(cc1)SCC[NH+]1CCC(CC1)C[NH2+][*:1]
C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CCCOc2c(Br)cccc21 CS(=O)(=O)[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CCCOc2c(Br)cccc21
C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CCCOc2c(Br)cccc21 CS(=O)(=O)C[*:1] C[C@@H]([NH2+][C@H]1CCCOc2c(Br)cccc21)[*:1]
Cc1n[nH]cc1NC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1n[nH]cc1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1cccc(-n2ccnc2)c1)c1cc(-c2ccco2)on1 c1cn(cn1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(on1)-c1ccco1
O=C(Nc1cccc(-n2ccnc2)c1)c1cc(-c2ccco2)on1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)-n1ccnc1)c1cc(on1)[*:1]
Cc1nn(CN2CCN(C(=O)c3ccccc3)CC2)c(C)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nn(CN2CCN(CC2)C(=O)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CN2CCN(C(=O)c3ccccc3)CC2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CN2CCN(CC2)C(=O)c2ccccc2)c(C)c1[*:1]
COc1ccc(C)cc1NC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 COc1ccc(C)cc1[*:1] Cc1sc2nc(CS[C@H](C)C(=O)N[*:1])[nH]c(=O)c2c1C
Cc1ccc(-c2nnn(-c3ncnc4c3oc3ccccc34)n2)cc1 Cc1ccc(cc1)[*:1] c1ccc2c(c1)oc1c(ncnc12)-n1nnc(n1)[*:1]
O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](OCc2cccc(F)c2F)C1 Fc1cccc(c1F)[*:1] O=C(Nc1cccc(Cl)c1)N1CCC[C@H](C1)OC[*:1]
O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](OCc2cccc(F)c2F)C1 Clc1cccc(c1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)OCc1cccc(F)c1F
Cc1ccc([C@H](CNCc2ccc(CO)o2)N2CCOCC2)s1 Cc1ccc(s1)[*:1] OCc1ccc(CNC[C@H](N2CCOCC2)[*:1])o1
Cc1ccc([C@H](CNCc2ccc(CO)o2)N2CCOCC2)s1 OCc1ccc(o1)[*:1] Cc1ccc(s1)[C@H](CNC[*:1])N1CCOCC1
Cc1ccc([C@H](CNCc2ccc(CO)o2)N2CCOCC2)s1 C1CN(CCO1)[*:1] Cc1ccc(s1)[C@H](CNCc1ccc(CO)o1)[*:1]
Cc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cc(Cl)ccc1OC[*:1]
Cc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cc(Cl)ccc1OCC(=O)[*:1]
CCCOc1cc(CNC(=O)c2csnn2)ccn1 CCCO[*:1] O=C(NCc1ccnc(c1)[*:1])c1csnn1
CCCOc1cc(CNC(=O)c2csnn2)ccn1 CCC[*:1] O=C(NCc1ccnc(c1)O[*:1])c1csnn1
CCCOc1cc(CNC(=O)c2csnn2)ccn1 c1snnc1[*:1] CCCOc1cc(ccn1)CNC(=O)[*:1]
O=C(c1ccc[nH]c1=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(c1ccc[nH]c1=O)N1CCC[C@H](CC[*:1])C1
O=C(c1ccc[nH]c1=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] O=C(c1ccc[nH]c1=O)N1CCC[C@@H](C1)C[*:1]
O=C(c1ccc[nH]c1=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 O=c1[nH]cccc1[*:1] O=C(N1CCC[C@H](CCc2ccc(F)cc2)C1)[*:1]
O=C(NC[C@H]1CCCO1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 C1CO[C@H](C1)C[*:1] O=C(N[*:1])N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F
O=C(NC[C@H]1CCCO1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] O=C(NC[C@H]1CCCO1)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
O=C(NC[C@H]1CCCO1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F
O=C(NCc1ccc(Cl)c(Cl)c1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NCc1ccc(Cl)c(Cl)c1)[*:1]
C[C@@H]1C[C@@H](C)CN(c2ccnc(SCC(=O)NC3CCCCC3)n2)C1 C1CCC(CC1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1ccnc(n1)SCC(=O)N[*:1]
Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)n1 Cc1cc(C)nc(n1)S[*:1] NC(=O)c1c(NC(=O)C[*:1])sc2CCCCCCc21
Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)n1 Cc1cc(C)nc(n1)[*:1] NC(=O)c1c(NC(=O)CS[*:1])sc2CCCCCCc21
Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)n1 NC(=O)[*:1] Cc1cc(C)nc(n1)SCC(=O)Nc1sc2CCCCCCc2c1[*:1]
CCc1nnc(NC(=O)Cc2ccc3c(c2)CCCC3)s1 CCc1nnc(s1)[*:1] O=C(Cc1ccc2CCCCc2c1)N[*:1]
Cc1cnc(S(=O)(=O)CCCC(=O)Nc2c(C)cccc2C)nc1 Cc1cccc(C)c1[*:1] Cc1cnc(nc1)S(=O)(=O)CCCC(=O)N[*:1]
Cc1cnc(S(=O)(=O)CCCC(=O)Nc2c(C)cccc2C)nc1 Cc1cnc(nc1)[*:1] Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)c1 Cc1cnn(c1)[*:1] O=C([C@H]1CCCO1)N1CCCC[C@H]1C[*:1]
Cc1nsc(N2CCC[NH+](Cc3ncccc3C)CC2)n1 Cc1cccnc1[*:1] Cc1nsc(n1)N1CCC[NH+](CC1)C[*:1]
Cc1nsc(N2CCC[NH+](Cc3ncccc3C)CC2)n1 Cc1nsc(n1)[*:1] Cc1cccnc1C[NH+]1CCCN(CC1)[*:1]
CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(N2CCSCC2)CCCC1 CC(C)[*:1] C[C@H]([NH2+]CC1(CCCC1)N1CCSCC1)C(=O)NC(=O)NC[*:1]
CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(N2CCSCC2)CCCC1 C1CN(CCS1)[*:1] CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(CCCC1)[*:1]
CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(N2CCSCC2)CCCC1 CC(C)C[*:1] C[C@H]([NH2+]CC1(CCCC1)N1CCSCC1)C(=O)NC(=O)N[*:1]
CSCC(=O)NNC(=O)c1cncc2ccccc12 CSC[*:1] O=C(NNC(=O)[*:1])c1cncc2ccccc12
C[C@H](CO)NC(=O)c1ccc(F)c(F)c1F C[C@H](CO)[*:1] O=C(N[*:1])c1ccc(F)c(F)c1F
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)s1 O=S1(=O)CCCN1[*:1] Cc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)s1 Cc1ccc(s1)[*:1] O=S1(=O)CCCN1c1ccc(cc1)NS(=O)(=O)[*:1]
C/C(=N/O)c1ccc2c3ccccc3n(C)c2c1 CC(=NO)[*:1] Cn1c2ccccc2c2ccc(cc21)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 CNC(=O)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)Nc1cc(ccc1Cl)[*:1]
CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CC=CC1 c1ccc(cc1)[*:1] CN(CCCc1cc(n[nH]1)[*:1])C(=O)C1CC=CC1
Cc1ccc(CC(=O)Nc2sc(C)c(C)c2C(N)=O)s1 Cc1ccc(s1)[*:1] Cc1sc(NC(=O)C[*:1])c(C(N)=O)c1C
Cc1ccc(CC(=O)Nc2sc(C)c(C)c2C(N)=O)s1 NC(=O)[*:1] Cc1ccc(CC(=O)Nc2sc(C)c(C)c2[*:1])s1
Cc1cc([N+](=O)[O-])cnc1Nc1cnn(CC(=O)NCCO)c1 O=C(NCCO)[*:1] Cc1cc(cnc1Nc1cnn(c1)C[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1Nc1cnn(CC(=O)NCCO)c1 OCC[*:1] Cc1cc(cnc1Nc1cnn(c1)CC(=O)N[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1Nc1cnn(CC(=O)NCCO)c1 O=C(C[*:1])NCCO Cc1cc(cnc1Nc1cnn(c1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1Nc1cnn(CC(=O)NCCO)c1 O=[N+]([O-])[*:1] Cc1cc(cnc1Nc1cnn(c1)CC(=O)NCCO)[*:1]
CC(=O)Nc1ccc(C(=O)/C=C2\NCCc3cc4c(cc32)OCO4)cc1 CC(=O)N[*:1] O=C(/C=C1\NCCc2cc3OCOc3cc21)c1ccc(cc1)[*:1]
COc1cc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc(OC)c1OC Clc1ccccc1[*:1] COc1cc(cc(OC)c1OC)NC(=O)c1ccc(o1)[*:1]
CC[C@@H](C)[C@@H](Cl)c1cc(C)c(F)cc1F CC[C@@H](C)[*:1] Cc1cc(c(F)cc1F)[C@H](Cl)[*:1]
CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(NC(C)=O)cc3)s2)cc1 CC(=O)N[*:1] CCc1ccc(cc1)-c1nc(C)c(s1)C(=O)Nc1ccc(cc1)[*:1]
CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(NC(C)=O)cc3)s2)cc1 CCc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1sc(nc1C)[*:1]
O=C(NCCc1cc(Br)ccc1F)C1CCC1 C1CC(C1)[*:1] O=C(NCCc1cc(Br)ccc1F)[*:1]
Cc1nonc1CN(C)c1nccc(CCC(F)(F)F)n1 Cc1nonc1C[*:1] CN(c1nccc(CCC(F)(F)F)n1)[*:1]
Cc1nonc1CN(C)c1nccc(CCC(F)(F)F)n1 Cc1nonc1[*:1] CN(C[*:1])c1nccc(CCC(F)(F)F)n1
Cc1nonc1CN(C)c1nccc(CCC(F)(F)F)n1 FC(F)(F)CC[*:1] Cc1nonc1CN(C)c1nccc(n1)[*:1]
Cc1nonc1CN(C)c1nccc(CCC(F)(F)F)n1 FC(F)(F)[*:1] Cc1nonc1CN(C)c1nccc(CC[*:1])n1
Cc1nonc1CN(C)c1nccc(CCC(F)(F)F)n1 FC(F)(F)C[*:1] Cc1nonc1CN(C)c1nccc(C[*:1])n1
Cc1cn(CC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c2ccccc12 NC(=O)[*:1] Cc1cn(CC(=O)N2C[C@H](CC[C@H]2C)[*:1])c2ccccc12
Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 Cc1ccc(F)c(c1)[*:1] O=S(=O)(N1CCC[C@@H]1c1nc2ccccc2[nH]1)[*:1]
NC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[C@@H]([NH3+])C1 O=[N+]([O-])[*:1] NC(=O)c1cc(ccc1O[C@H]1CCC[C@@H]([NH3+])C1)[*:1]
NC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCC[C@@H]([NH3+])C1 NC(=O)[*:1] [NH3+][C@@H]1CCC[C@@H](C1)Oc1ccc(cc1[*:1])[N+](=O)[O-]
Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3nnn[n-]3)c(Cl)cc12 c1ccc(cc1)[*:1] Cc1c(C[*:1])c(=O)oc2cc(OCc3nnn[n-]3)c(Cl)cc12
Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3nnn[n-]3)c(Cl)cc12 c1ccc(cc1)C[*:1] Cc1c(c(=O)oc2cc(OCc3nnn[n-]3)c(Cl)cc12)[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 c1cc2OCCOc2cc1[*:1] O=S(=O)(N1CCC[C@H](C1)c1nnc(o1)-c1ccccn1)[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 c1ccc(nc1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCC[C@H](C1)c1nnc(o1)[*:1]
COc1ccccc1CN(C(=S)Nc1ccc(Cl)cc1C)C1CC[NH+](C)CC1 COc1ccccc1[*:1] Cc1cc(Cl)ccc1NC(=S)N(C[*:1])C1CC[NH+](C)CC1
COc1ccccc1CN(C(=S)Nc1ccc(Cl)cc1C)C1CC[NH+](C)CC1 COc1ccccc1C[*:1] Cc1cc(Cl)ccc1NC(=S)N(C1CC[NH+](C)CC1)[*:1]
COc1ccccc1CN(C(=S)Nc1ccc(Cl)cc1C)C1CC[NH+](C)CC1 Cc1cc(Cl)ccc1[*:1] COc1ccccc1CN(C(=S)N[*:1])C1CC[NH+](C)CC1
CC[C@H](C)NC(=O)[C@@H](Sc1ncnc2ccsc12)C(C)C CC(C)[*:1] CC[C@H](C)NC(=O)[C@@H](Sc1ncnc2ccsc12)[*:1]
CC[C@H](C)NC(=O)[C@@H](Sc1ncnc2ccsc12)C(C)C CC[C@H](C)NC(=O)[*:1] CC(C)[C@H](Sc1ncnc2ccsc12)[*:1]
CC[C@H](C)NC(=O)[C@@H](Sc1ncnc2ccsc12)C(C)C CC[C@H](C)[*:1] CC(C)[C@H](Sc1ncnc2ccsc12)C(=O)N[*:1]
CCOc1ccc(S(=O)(=O)N[C@@H](C)Cc2cccs2)cc1F CCO[*:1] C[C@@H](Cc1cccs1)NS(=O)(=O)c1ccc(c(F)c1)[*:1]
CCOc1ccc(S(=O)(=O)N[C@@H](C)Cc2cccs2)cc1F c1csc(c1)C[*:1] CCOc1ccc(cc1F)S(=O)(=O)N[C@@H](C)[*:1]
CCOc1ccc(S(=O)(=O)N[C@@H](C)Cc2cccs2)cc1F c1csc(c1)[*:1] CCOc1ccc(cc1F)S(=O)(=O)N[C@@H](C)C[*:1]
NC(=O)CN1CCN([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 c1ccc(cc1)CC[*:1] NC(=O)CN1CCN(CC1)[C@H]1CC(=O)N(C1=O)[*:1]
NC(=O)CN1CCN([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 c1ccc(cc1)C[*:1] NC(=O)CN1CCN(CC1)[C@H]1CC(=O)N(C[*:1])C1=O
NC(=O)CN1CCN([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 NC(=O)C[*:1] O=C1C[C@@H](C(=O)N1CCc1ccccc1)N1CCN(CC1)[*:1]
NC(=O)CN1CCN([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 NC(=O)[*:1] O=C1C[C@@H](C(=O)N1CCc1ccccc1)N1CCN(CC1)C[*:1]
NC(=O)CN1CCN([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] NC(=O)CN1CCN(CC1)[C@H]1CC(=O)N(CC[*:1])C1=O
CCc1cc2c(N3CCC[C@H]3c3nncn3CC(C)C)ncnc2s1 CC(C)C[*:1] CCc1cc2c(ncnc2s1)N1CCC[C@H]1c1nncn1[*:1]
CCc1cc2c(N3CCC[C@H]3c3nncn3CC(C)C)ncnc2s1 CC(C)[*:1] CCc1cc2c(ncnc2s1)N1CCC[C@H]1c1nncn1C[*:1]
CCC(CC)(NC(=O)N[C@H]1CCCNC1=O)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)N[C@H]1CCCNC1=O)[*:1]
Cc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1F Cc1ccc(cc1F)NC(=O)[*:1] CC1CC[NH+](CC1)Cc1nnc(o1)-c1cn(C[*:1])c2ccccc12
Cc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1F Cc1ccc(cc1F)[*:1] CC1CC[NH+](CC1)Cc1nnc(o1)-c1cn(CC(=O)N[*:1])c2ccccc12
O=C(NCCCO[C@@H]1CCOC1)N[C@H]1C[C@@H]2CCCc3cccc1c32 C1C[C@H](CO1)OCC[*:1] O=C(NC[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
O=C(NCCCO[C@@H]1CCOC1)N[C@H]1C[C@@H]2CCCc3cccc1c32 C1C[C@H](CO1)OC[*:1] O=C(NCC[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
O=C(NCCCO[C@@H]1CCOC1)N[C@H]1C[C@@H]2CCCc3cccc1c32 C1C[C@H](CO1)[*:1] O=C(NCCCO[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
O=C(NCCCO[C@@H]1CCOC1)N[C@H]1C[C@@H]2CCCc3cccc1c32 C1C[C@H](CO1)O[*:1] O=C(NCCC[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
C[C@@H]1CCCC/C1=N/NC(=O)CCC(=O)Nc1ccccc1Br Brc1ccccc1[*:1] C[C@@H]1CCCC/C1=N/NC(=O)CCC(=O)N[*:1]
Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)NCc2ccc3OCOc3c2)c(=O)c1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] Cc1cc(C)n(CC(=O)NCc2ccc3OCOc3c2)c(=O)c1[*:1]
Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)n(CC(=O)NC[*:1])c1=O
Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1 c1cc2OCOc2cc1C[*:1] Cc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)n(CC(=O)N[*:1])c1=O
Cc1ccc(C(=O)CCC(=O)Nc2cc(F)ccc2Cl)s1 Cc1ccc(s1)[*:1] O=C(CCC(=O)[*:1])Nc1cc(F)ccc1Cl
Cn1c(CCc2cccc(NC(=O)Nc3ccccc3)c2)nc2ccccc21 c1ccc(cc1)[*:1] Cn1c(CCc2cccc(c2)NC(=O)N[*:1])nc2ccccc21
Cc1ccc([C@H](C)NC(=O)N(C)CCS(C)(=O)=O)cc1F CS(=O)(=O)CC[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N(C)[*:1]
Cc1ccc([C@H](C)NC(=O)N(C)CCS(C)(=O)=O)cc1F CS(=O)(=O)C[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N(C)C[*:1]
Cc1ccc([C@H](C)NC(=O)N(C)CCS(C)(=O)=O)cc1F CS(=O)(=O)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N(C)CC[*:1]
Oc1ccccc1N1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 Oc1ccccc1[*:1] c1ccc(cc1)Cc1noc(C[NH+]2CCN(CC2)[*:1])n1
Oc1ccccc1N1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 c1ccc(cc1)[*:1] Oc1ccccc1N1CC[NH+](CC1)Cc1nc(C[*:1])no1
Oc1ccccc1N1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 c1ccc(cc1)C[*:1] Oc1ccccc1N1CC[NH+](CC1)Cc1nc(no1)[*:1]
Fc1cccc([C@@H](NCc2nnsc2Cl)c2ccccc2)c1 Fc1cccc(c1)[*:1] Clc1snnc1CN[C@@H](c1ccccc1)[*:1]
Fc1cccc([C@@H](NCc2nnsc2Cl)c2ccccc2)c1 c1ccc(cc1)[*:1] Fc1cccc(c1)[C@@H](NCc1nnsc1Cl)[*:1]
Fc1cccc([C@@H](NCc2nnsc2Cl)c2ccccc2)c1 Clc1snnc1C[*:1] Fc1cccc(c1)[C@@H](N[*:1])c1ccccc1
Fc1cccc([C@@H](NCc2nnsc2Cl)c2ccccc2)c1 Clc1snnc1[*:1] Fc1cccc(c1)[C@@H](NC[*:1])c1ccccc1
O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H](c2nc3ccccc3o2)C1 c1ccc2oc(nc2c1)[*:1] O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H](C1)[*:1]
O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H](c2nc3ccccc3o2)C1 FC(F)(F)[*:1] O=S(=O)(c1ccc(Cl)cc1[*:1])N1CCC[C@@H](C1)c1nc2ccccc2o1
CCN(Cc1ccccn1)[C@@H]1CCC[C@H]([NH2+]C)C1 c1ccc(nc1)[*:1] CCN(C[*:1])[C@@H]1CCC[C@@H](C1)[NH2+]C
Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)c2ccc(Br)cc2)c1=O O=C(N1CCOCC1)[*:1] Cn1cc(cc(NC(=O)c2ccc(Br)cc2)c1=O)[*:1]
Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)c2ccc(Br)cc2)c1=O Brc1ccc(cc1)[*:1] Cn1cc(cc(NC(=O)[*:1])c1=O)C(=O)N1CCOCC1
O=C1NCCN(C(=O)CCc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C1NCCN(C(=O)CCc2ccccc2)[C@@H]1CC(=O)N1CCN(CC1)[*:1]
O=C1NCCN(C(=O)CCc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C1NCCN(C(=O)[*:1])[C@@H]1CC(=O)N1CCN(CC1)c1ccccc1
O=C1NCCN(C(=O)CCc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C1NCCN(C(=O)CC[*:1])[C@@H]1CC(=O)N1CCN(CC1)c1ccccc1
O=C1NCCN(C(=O)CCc2ccccc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C1NCCN(C(=O)C[*:1])[C@@H]1CC(=O)N1CCN(CC1)c1ccccc1
COc1cc(NS(=O)(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)nc(OC)n1 COc1cc(nc(n1)OC)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(cc1)S(=O)(=O)N[*:1]
O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)N1 O=C1CC[C@@H](N1)[*:1] O=C(Nc1ccc2OCOc2c1)[C@H]1CSCN1C(=O)[*:1]
O=S(=O)(c1cccs1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 c1cncc(c1)[*:1] O=S(=O)(c1cccs1)N1CCN(CC1)c1ccc(nn1)[*:1]
O=S(=O)(c1cccs1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 c1csc(c1)[*:1] O=S(=O)(N1CCN(CC1)c1ccc(nn1)-c1cccnc1)[*:1]
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)c1ccc(s1)[*:1])S(=O)(=O)N(C)C
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 CN(C)S(=O)(=O)[*:1] COc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(Cl)cc1)[*:1]
FC(F)n1ccnc1CN1CC[NH+](CCN2CCOCC2)CC1 C1CN(CCO1)C[*:1] FC(F)n1ccnc1CN1CC[NH+](CC1)C[*:1]
FC(F)n1ccnc1CN1CC[NH+](CCN2CCOCC2)CC1 C1CN(CCO1)[*:1] FC(F)n1ccnc1CN1CC[NH+](CC1)CC[*:1]
FC(F)n1ccnc1CN1CC[NH+](CCN2CCOCC2)CC1 FC(F)[*:1] c1cn(c(CN2CC[NH+](CCN3CCOCC3)CC2)n1)[*:1]
CC(C)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 CC(C)[*:1] CC(C)(C)N1C(=O)[C@@H]2[C@@H](C[*:1])[NH2+][C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O
CC(C)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 CC(C)(C)[*:1] CC(C)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
CC(C)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 CC(C)C[*:1] CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1([NH2+][C@@H]2[*:1])C(=O)Nc2ccc(F)cc21
COCCn1ccc2ccc(NC(=O)C[C@H]3C=CCC3)cc21 COC[*:1] O=C(C[C@H]1C=CCC1)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)C[C@H]3C=CCC3)cc21 COCC[*:1] O=C(C[C@H]1C=CCC1)Nc1ccc2ccn(c2c1)[*:1]
Cc1cc(N[C@@H](C)[C@H](C)CO)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(nc(n1)[*:1])N[C@@H](C)[C@H](C)CO
Cc1cc(N[C@@H](C)[C@H](C)CO)nc(-c2ccccn2)n1 C[C@H](CO)[*:1] Cc1cc(nc(n1)-c1ccccn1)N[C@@H](C)[*:1]
C[NH+]1CCN(c2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3s2)CC1 Clc1ccc(cc1)S[*:1] C[NH+]1CCN(CC1)c1nc2ccc(cc2s1)NC(=O)C[*:1]
C[NH+]1CCN(c2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3s2)CC1 Clc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1nc2ccc(cc2s1)NC(=O)CS[*:1]
C[NH+]1CCN(c2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3s2)CC1 Clc1ccc(cc1)SC[*:1] C[NH+]1CCN(CC1)c1nc2ccc(cc2s1)NC(=O)[*:1]
Cc1ccc([C@H]2CN(C(=O)N[C@@H]3CCS(=O)(=O)C3)CCO2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](C1)[*:1]
Cc1ccc([C@H]2CN(C(=O)N[C@@H]3CCS(=O)(=O)C3)CCO2)c(C)c1 O=S1(=O)CC[C@H](C1)[*:1] Cc1ccc(c(C)c1)[C@H]1CN(CCO1)C(=O)N[*:1]
C[C@@H](OC(=O)[C@@H]1CSC2(CCCC2)C(=O)N1)C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](OC(=O)[C@@H]1CSC2(CCCC2)C(=O)N1)C(=O)NC[*:1]
C[C@@H](OC(=O)[C@@H]1CSC2(CCCC2)C(=O)N1)C(=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] C[C@@H](OC(=O)[C@@H]1CSC2(CCCC2)C(=O)N1)C(=O)N[*:1]
CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)ccc21 c1ccc(cc1)CC[*:1] CCn1ccc2cc(ccc21)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)ccc21 c1ccc(cc1)[*:1] CCn1ccc2cc(ccc21)S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)ccc21 c1ccc(cc1)C[*:1] CCn1ccc2cc(ccc21)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
N#CCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccccn2)s1 N#CC[*:1] O=S(=O)(c1ccc(s1)-c1ccccn1)N(Cc1cccs1)C[*:1]
N#CCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccccn2)s1 c1csc(c1)[*:1] N#CCCN(C[*:1])S(=O)(=O)c1ccc(s1)-c1ccccn1
N#CCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccccn2)s1 N#CCC[*:1] O=S(=O)(c1ccc(s1)-c1ccccn1)N(Cc1cccs1)[*:1]
N#CCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccccn2)s1 c1csc(c1)C[*:1] N#CCCN(S(=O)(=O)c1ccc(s1)-c1ccccn1)[*:1]
N#CCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2ccccn2)s1 c1ccc(nc1)[*:1] N#CCCN(Cc1cccs1)S(=O)(=O)c1ccc(s1)[*:1]
COc1ncc(C(=O)N2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)CC2)cn1 COc1ncc(cn1)[*:1] C[C@@H]1C[C@@H](n2nc(cc2N1)C1CCN(CC1)C(=O)[*:1])C(F)(F)F
COc1ncc(C(=O)N2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)CC2)cn1 FC(F)(F)[*:1] COc1ncc(cn1)C(=O)N1CCC(CC1)c1cc2N[C@H](C)C[C@H](n2n1)[*:1]
Cc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Cl)cc1Cl)nn2C Clc1ccc(c(Cl)c1)[*:1] Cc1ccc2c(c1)c(=O)c(nn2C)C(=O)N[*:1]
Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CCn1cc[nH+]c1C(C)C O=[N+]([O-])[*:1] Cc1cc(Cl)c(cc1NC(=O)CCn1cc[nH+]c1C(C)C)[*:1]
Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CCn1cc[nH+]c1C(C)C CC(C)[*:1] Cc1cc(Cl)c(cc1NC(=O)CCn1cc[nH+]c1[*:1])[N+](=O)[O-]
CC(C)c1nc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n[nH]1 CC(C)[*:1] O=C(c1n[nH]c(n1)[*:1])N1CCC[C@H](C1)[NH+]1CCCC1
COc1cccc([C@H]2C[C@H]2C(=O)Oc2cccc(-n3cccn3)c2)c1 COc1cccc(c1)[*:1] O=C(Oc1cccc(c1)-n1cccn1)[C@@H]1C[C@@H]1[*:1]
COc1cccc([C@H]2C[C@H]2C(=O)Oc2cccc(-n3cccn3)c2)c1 c1cnn(c1)[*:1] COc1cccc(c1)[C@H]1C[C@H]1C(=O)Oc1cccc(c1)[*:1]
CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 C1CCC(C1)O[*:1] CCNC(=O)N1CC[C@H](C1)NC(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 C1CCC(C1)[*:1] CCNC(=O)N1CC[C@H](C1)NC(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
CC(C)OC(=O)c1cccc(-c2ccc([C@H]3[NH2+][C@H](C(=O)[O-])C(C)(C)S3)o2)c1 CC(C)OC(=O)[*:1] CC1(C)S[C@H]([NH2+][C@@H]1C(=O)[O-])c1ccc(o1)-c1cccc(c1)[*:1]
CC(C)OC(=O)c1cccc(-c2ccc([C@H]3[NH2+][C@H](C(=O)[O-])C(C)(C)S3)o2)c1 CC(C)[*:1] CC1(C)S[C@H]([NH2+][C@@H]1C(=O)[O-])c1ccc(o1)-c1cccc(c1)C(=O)O[*:1]
C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[*:1])C(=O)N[C@H](C)c1ccc(cc1)OC(F)F
C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)c1ccc(cc1)O[*:1]
C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
C[C@@H](C[NH+]1CCCCC1)NC(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)c1n[nH]c(n1)[*:1]
COc1ncccc1C(=O)N1CCCSC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] COc1ncccc1C(=O)N1CCCSC[C@H]1C[*:1]
COc1ncccc1C(=O)N1CCCSC[C@H]1CN1CCOCC1 COc1ncccc1[*:1] O=C(N1CCCSC[C@H]1CN1CCOCC1)[*:1]
COc1ncccc1C(=O)N1CCCSC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] COc1ncccc1C(=O)N1CCCSC[C@@H]1[*:1]
O=[N+]([O-])c1ccc(NC[C@@H]2COc3ccccc3O2)nc1 O=[N+]([O-])[*:1] c1ccc2O[C@H](CNc3ccc(cn3)[*:1])COc2c1
COc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)n[nH]2)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1[*:1])-c1cc(n[nH]1)C(=O)N1CCc2ccccc2C1
Cc1nnc(-c2ccc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cc2)o1 Cc1nnc(o1)[*:1] O=C(c1ccc(cc1)[*:1])N1CC[C@@H](C1)C[NH+]1CCCCC1
FC(F)(F)c1cc(-c2ccncc2)nc2c(-c3cccc(Cl)c3)cnn12 c1cc(ccn1)[*:1] FC(F)(F)c1cc(nc2c(cnn12)-c1cccc(Cl)c1)[*:1]
FC(F)(F)c1cc(-c2ccncc2)nc2c(-c3cccc(Cl)c3)cnn12 Clc1cccc(c1)[*:1] FC(F)(F)c1cc(nc2c(cnn12)[*:1])-c1ccncc1
FC(F)(F)c1cc(-c2ccncc2)nc2c(-c3cccc(Cl)c3)cnn12 FC(F)(F)[*:1] Clc1cccc(c1)-c1cnn2c(cc(nc12)-c1ccncc1)[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2F)c1 CC(C)(C)[*:1] O=C(N[*:1])c1cccc(c1)NC(=S)NC(=O)c1ccccc1F
CC(C)(C)NC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2F)c1 CC(C)(C)NC(=O)[*:1] O=C(NC(=S)Nc1cccc(c1)[*:1])c1ccccc1F
CC(C)(C)NC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=S)NC(=O)[*:1]
CC[C@H]([NH3+])C(=O)N1CCC(Cn2cc(-c3ccc(C)cc3)nn2)CC1 Cc1ccc(cc1)[*:1] CC[C@H]([NH3+])C(=O)N1CCC(CC1)Cn1cc(nn1)[*:1]
CCCN1CCc2cc(-c3cncn3[C@@H](C)Cc3c(C)nn(C)c3C)ccc21 CCC[*:1] Cc1nn(C)c(C)c1C[C@H](C)n1cncc1-c1ccc2c(c1)CCN2[*:1]
CCCN1CCc2cc(-c3cncn3[C@@H](C)Cc3c(C)nn(C)c3C)ccc21 Cc1nn(C)c(C)c1[*:1] CCCN1CCc2cc(ccc21)-c1cncn1[C@@H](C)C[*:1]
CCCN1CCc2cc(-c3cncn3[C@@H](C)Cc3c(C)nn(C)c3C)ccc21 Cc1nn(C)c(C)c1C[*:1] CCCN1CCc2cc(ccc21)-c1cncn1[C@@H](C)[*:1]
Cc1cc(C)cc(C[S@](=O)Cc2coc(-c3cccc(Cl)c3)n2)c1 Cc1cc(C)cc(c1)[*:1] O=[S@](Cc1coc(n1)-c1cccc(Cl)c1)C[*:1]
Cc1cc(C)cc(C[S@](=O)Cc2coc(-c3cccc(Cl)c3)n2)c1 Clc1cccc(c1)[*:1] Cc1cc(C)cc(c1)C[S@](=O)Cc1coc(n1)[*:1]
O=C(c1cc(Cl)sc1Cl)N1CCN(c2cc[nH+]cc2)CC1 Clc1cc(c(Cl)s1)[*:1] O=C(N1CCN(CC1)c1cc[nH+]cc1)[*:1]
CN(C)/C=C(/C(=O)c1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C)/C=C(/C(=O)[*:1])S(=O)(=O)c1ccccc1
CN(C)/C=C(/C(=O)c1ccccc1)S(=O)(=O)c1ccccc1 CN(C)[*:1] O=C(C(=C[*:1])S(=O)(=O)c1ccccc1)c1ccccc1
CN(C)/C=C(/C(=O)c1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C)/C=C(/C(=O)c1ccccc1)S(=O)(=O)[*:1]
O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(=O)n(n1)-c1ccc(F)cc1
O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(C1)c1ccc(=O)n(n1)[*:1]
O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1ccc(=O)n(n1)-c1ccc(F)cc1
O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 O=C(NC[C@@H]1CCCO1)[*:1] O=c1ccc(nn1-c1ccc(F)cc1)N1CCC[C@H](C1)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 C[C@@H]1CCCC[C@H]1[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCCN[C@]1(C#N)CC[C@H](N2C[C@H](C)OC[C@@H]2C)C1 CCC[*:1] C[C@H]1CN([C@@H](C)CO1)[C@H]1CC[C@](C#N)(C1)N[*:1]
CCCN[C@]1(C#N)CC[C@H](N2C[C@H](C)OC[C@@H]2C)C1 CCCN[*:1] C[C@H]1CN([C@@H](C)CO1)[C@H]1CC[C@@](C#N)(C1)[*:1]
CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3Cl)c2C)cc1 CCO[*:1] Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(cc3)[*:1])c2C)c(Cl)c1
CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3Cl)c2C)cc1 Cc1ccc(c(Cl)c1)[*:1] CCOc1ccc(cc1)NC(=O)Cn1nnc(C(=O)N[*:1])c1C
CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3Cl)c2C)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(NC(=O)c2nnn(CC(=O)N[*:1])c2C)c(Cl)c1
CS[C@H]1CC[C@@H](NC(=O)NCC2(Sc3ccccc3)CC2)C1 c1ccc(cc1)S[*:1] CS[C@H]1CC[C@H](C1)NC(=O)NCC1(CC1)[*:1]
CS[C@H]1CC[C@@H](NC(=O)NCC2(Sc3ccccc3)CC2)C1 c1ccc(cc1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)NCC1(CC1)S[*:1]
CC(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1 CC(C)[*:1] O=C(Nc1cccc(c1)OC(F)(F)F)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1 FC(F)(F)[*:1] CC(C)C(=O)N1CCC[C@@H](C1)C(=O)Nc1cccc(c1)O[*:1]
CC(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1 FC(F)(F)O[*:1] CC(C)C(=O)N1CCC[C@@H](C1)C(=O)Nc1cccc(c1)[*:1]
O=C(Nc1ccc(O)cc1)c1ccsc1 c1cc(cs1)[*:1] O=C(Nc1ccc(O)cc1)[*:1]
CN(C)C(=O)Nc1cccc(CNS(=O)(=O)CC2CCC2)c1 CN(C)C(=O)N[*:1] O=S(=O)(CC1CCC1)NCc1cccc(c1)[*:1]
CN(C)C(=O)Nc1cccc(CNS(=O)(=O)CC2CCC2)c1 C1CC(C1)[*:1] CN(C)C(=O)Nc1cccc(c1)CNS(=O)(=O)C[*:1]
CN(C)C(=O)Nc1cccc(CNS(=O)(=O)CC2CCC2)c1 C1CC(C1)C[*:1] CN(C)C(=O)Nc1cccc(c1)CNS(=O)(=O)[*:1]
O=C1N[C@@H](C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CS1 Clc1ccc(cc1)[*:1] O=C1N[C@H](CS1)C(=O)N1CC=C(CC1)[*:1]
CCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[NH+](Cc2ccccc2)CC4)cc1 CCOc1ccc(cc1)[*:1] Nc1c(sc2nc3CC[NH+](Cc4ccccc4)Cc3cc12)C(=O)N[*:1]
CCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[NH+](Cc2ccccc2)CC4)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)c1sc2nc3CC[NH+](Cc3cc2c1N)C[*:1]
CCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[NH+](Cc2ccccc2)CC4)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)NC(=O)c1sc2nc3CC[NH+](Cc3cc2c1N)[*:1]
CCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[NH+](Cc2ccccc2)CC4)cc1 CCO[*:1] Nc1c(sc2nc3CC[NH+](Cc4ccccc4)Cc3cc12)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)[C@H]1OCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@H]1OCCC[C@@H]1[*:1]
CC[C@H](C)[C@H]1OCCC[C@H]1C(=O)[O-] CC[C@H](C)[*:1] O=C([O-])[C@@H]1CCCO[C@@H]1[*:1]
Cc1cc(C)cc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)[NH2+]CCC2=NC=N[C@@H]23)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=N[C@@H]12
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1Cl COc1ccc(cc1Cl)[*:1] C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(Cl)cc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1Cl Clc1ccc(cc1)[*:1] COc1ccc(cc1Cl)C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]1[*:1]
Cc1nc(NC(=O)c2ccc3ccccc3n2)sc1SCC(N)=O NC(=O)CS[*:1] Cc1nc(NC(=O)c2ccc3ccccc3n2)sc1[*:1]
Cc1nc(NC(=O)c2ccc3ccccc3n2)sc1SCC(N)=O NC(=O)[*:1] Cc1nc(NC(=O)c2ccc3ccccc3n2)sc1SC[*:1]
Cc1nc(NC(=O)c2ccc3ccccc3n2)sc1SCC(N)=O NC(=O)C[*:1] Cc1nc(NC(=O)c2ccc3ccccc3n2)sc1S[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1nn(-c2ccc(F)cc2)c2sc(cc12)C(=O)NCC(=O)N[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)c2cc3c(C)nn(c3s2)[*:1])c(C)c1
N#Cc1ccc(NC[C@H](O)COc2ccc(I)cc2)nc1 Ic1ccc(cc1)[*:1] N#Cc1ccc(nc1)NC[C@H](O)CO[*:1]
COCCCS(=O)(=O)/N=C(\[O-])c1cnn(C(C)C)c1C CC(C)[*:1] COCCCS(=O)(=O)/N=C(\[O-])c1cnn(c1C)[*:1]
COCCCS(=O)(=O)/N=C(\[O-])c1cnn(C(C)C)c1C COC[*:1] Cc1c(cnn1C(C)C)/C([O-])=N/S(=O)(=O)CC[*:1]
COCCCS(=O)(=O)/N=C(\[O-])c1cnn(C(C)C)c1C COCC[*:1] Cc1c(cnn1C(C)C)/C([O-])=N/S(=O)(=O)C[*:1]
COCCCS(=O)(=O)/N=C(\[O-])c1cnn(C(C)C)c1C COCCC[*:1] Cc1c(cnn1C(C)C)/C([O-])=N/S(=O)(=O)[*:1]
COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(OC)c2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)CCNC(=O)[C@@H]1CCCN1C(=O)N[*:1]
COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(OC)c2)cc1 COc1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)N1CCC[C@H]1C(=O)NC[*:1]
COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)N1CCC[C@H]1C(=O)NCC[*:1]
O=C(c1ccc(Cl)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 Clc1ccc(o1)[*:1] O=C(N1CCC[C@H]1c1ccc2OCCOc2c1)[*:1]
C[C@@H](C(=O)NCCC1=CCCCC1)n1nc(-c2ccc(F)cc2)ccc1=O Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NCCC1=CCCCC1)n1nc(ccc1=O)[*:1]
COc1ccccc1CC(=O)N1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 COc1ccccc1[*:1] CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)C[*:1]
Cc1nn(C)c2nc(NC[C@H](c3ccncc3)N3CCOCC3)sc12 c1cc(ccn1)[*:1] Cc1nn(C)c2nc(NC[C@H](N3CCOCC3)[*:1])sc12
Cc1nn(C)c2nc(NC[C@H](c3ccncc3)N3CCOCC3)sc12 C1CN(CCO1)[*:1] Cc1nn(C)c2nc(NC[C@H](c3ccncc3)[*:1])sc12
N#Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1C(F)(F)F FC(F)(F)[*:1] N#Cc1ccc(cc1[*:1])NC(=O)C[C@@H]1C=CCC1
Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC(c2nc3ccccc3s2)CC1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCC(CC1)c1nc2ccccc2s1
Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC(c2nc3ccccc3s2)CC1)C(C)C c1ccc2sc(nc2c1)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC(CC1)[*:1])C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC(c2nc3ccccc3s2)CC1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC(CC1)c1nc2ccccc2s1)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC(c2nc3ccccc3s2)CC1)C(C)C Cc1ccccc1C(=O)N[*:1] CC(C)[C@@H](C(=O)N1CCC(CC1)c1nc2ccccc2s1)[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1[NH3+] CC(C)OCC[*:1] [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1[NH3+] CC(C)O[*:1] [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)CC[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1[NH3+] CC(C)OC[*:1] [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)C[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1[NH3+] CC(C)[*:1] [NH3+][C@@H]1CCCCC[C@H]1NS(=O)(=O)CCO[*:1]
Cc1ccc2nc(COc3ccc(C(=O)N4CCC[C@@H](c5nc6ccccc6[nH]5)C4)cc3)cn2c1 Cc1ccc2nc(cn2c1)[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCC[C@H](C1)c1nc2ccccc2[nH]1
Cc1ccc2nc(COc3ccc(C(=O)N4CCC[C@@H](c5nc6ccccc6[nH]5)C4)cc3)cn2c1 Cc1ccc2nc(cn2c1)C[*:1] O=C(c1ccc(cc1)O[*:1])N1CCC[C@H](C1)c1nc2ccccc2[nH]1
Cc1ccc2nc(COc3ccc(C(=O)N4CCC[C@@H](c5nc6ccccc6[nH]5)C4)cc3)cn2c1 c1ccc2[nH]c(nc2c1)[*:1] Cc1ccc2nc(cn2c1)COc1ccc(cc1)C(=O)N1CCC[C@@H](C1)[*:1]
CCC(CC)C(=O)Nc1cccc2ccccc12 CCC(CC)[*:1] O=C(Nc1cccc2ccccc12)[*:1]
CS(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3ccc(F)cc3)n2)C1 Fc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC[C@@H](Cc2cncc(n2)[*:1])C1
COc1ccccc1OCC(=O)N/N=C/c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1OCC(=O)NN=C[*:1]
CC1CCN(C(=O)[C@@H](C)[C@H]2CC[C@@]3(C)CC[C@H](NC(=O)Cc4ccccc4)[C@@H](C)[C@@H]3[C@H]2O)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C[*:1])[C@@H](C)[C@@H]2[C@H]1O
CC1CCN(C(=O)[C@@H](C)[C@H]2CC[C@@]3(C)CC[C@H](NC(=O)Cc4ccccc4)[C@@H](C)[C@@H]3[C@H]2O)CC1 O=C(Cc1ccccc1)N[*:1] CC1CCN(CC1)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H]([C@@H](C)[C@@H]2[C@H]1O)[*:1]
CC1CCN(C(=O)[C@@H](C)[C@H]2CC[C@@]3(C)CC[C@H](NC(=O)Cc4ccccc4)[C@@H](C)[C@@H]3[C@H]2O)CC1 CC1CCN(CC1)C(=O)[C@@H](C)[*:1] C[C@@H]1[C@H](CC[C@]2(C)CC[C@@H]([C@H](O)[C@@H]12)[*:1])NC(=O)Cc1ccccc1
CC1CCN(C(=O)[C@@H](C)[C@H]2CC[C@@]3(C)CC[C@H](NC(=O)Cc4ccccc4)[C@@H](C)[C@@H]3[C@H]2O)CC1 CC1CCN(CC1)C(=O)[*:1] C[C@@H]1[C@H](CC[C@]2(C)CC[C@@H]([C@H](O)[C@@H]12)[C@H](C)[*:1])NC(=O)Cc1ccccc1
CC1CCN(C(=O)[C@@H](C)[C@H]2CC[C@@]3(C)CC[C@H](NC(=O)Cc4ccccc4)[C@@H](C)[C@@H]3[C@H]2O)CC1 c1ccc(cc1)C[*:1] CC1CCN(CC1)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)[*:1])[C@@H](C)[C@@H]2[C@H]1O
COCCCC(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 CC(C)[*:1] COCCCC(=O)N1CCC[C@H](C1)c1nc2ccccc2n1[*:1]
COCCCC(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 COC[*:1] CC(C)n1c(nc2ccccc21)[C@@H]1CCCN(C1)C(=O)CC[*:1]
COCCCC(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 COCCC[*:1] CC(C)n1c(nc2ccccc21)[C@@H]1CCCN(C1)C(=O)[*:1]
COCCCC(=O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 COCC[*:1] CC(C)n1c(nc2ccccc21)[C@@H]1CCCN(C1)C(=O)C[*:1]
CCCn1c(=O)c2ccccc2n2c(=S)n(CN3CCc4sccc4[C@H]3C)nc12 CCC[*:1] C[C@@H]1c2ccsc2CCN1Cn1nc2n(c(=O)c3ccccc3n2c1=S)[*:1]
COc1cc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)cc(OC)c1OC FC(F)(F)[*:1] COc1cc(cc(OC)c1OC)C1=N/C(=C\c2ccccc2[*:1])C(=O)O1
COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)N1CCOCC1 COC(=O)[*:1] O=S(=O)(N1CCOCC1)N1[C@H]2CCCC[C@@H]2C[C@@H]1[*:1]
c1ccc(C[C@H]([NH2+]CCc2nc[nH]n2)C2CCCCC2)cc1 C1CCC(CC1)[*:1] c1ccc(cc1)C[C@H]([NH2+]CCc1nc[nH]n1)[*:1]
c1ccc(C[C@H]([NH2+]CCc2nc[nH]n2)C2CCCCC2)cc1 c1ccc(cc1)[*:1] c1nc(CC[NH2+][C@@H](C[*:1])C2CCCCC2)n[nH]1
c1ccc(C[C@H]([NH2+]CCc2nc[nH]n2)C2CCCCC2)cc1 c1ccc(cc1)C[*:1] c1nc(CC[NH2+][C@H](C2CCCCC2)[*:1])n[nH]1
CC[C@@H](Cl)[C@@H](C)c1ccc2c(c1)OCCCO2 CC[C@@H](Cl)[*:1] C[C@@H](c1ccc2OCCCOc2c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3F)C2)C1 CC(C)(C)[*:1] O=C(N[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3F)C2)C1 Fc1ccc(c(F)c1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)N[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc21 CCOC(=O)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C[*:1]
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc21 Cc1ccc(cc1)[*:1] CCOC(=O)Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N[*:1]
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc21 CCOC(=O)C[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2[*:1]
C[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)CCCC(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1C[C@H]([NH3+])CN(C1)S(=O)(=O)CCC[*:1]
C[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)CCCC(=O)[O-])C1 O=C([O-])C[*:1] C[C@@H]1C[C@H]([NH3+])CN(C1)S(=O)(=O)CC[*:1]
C[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)CCCC(=O)[O-])C1 O=C([O-])CC[*:1] C[C@@H]1C[C@H]([NH3+])CN(C1)S(=O)(=O)C[*:1]
O=C1NCCCC[C@@H]1c1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C1NCCCC[C@@H]1c1cccc(c1)OC[*:1]
O=C1NCCCC[C@@H]1c1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C1NCCCC[C@@H]1c1cccc(c1)O[*:1]
Cc1ccc(S(=O)(=O)CC(=O)Nc2cc(C(C)C)no2)cc1C CC(C)[*:1] Cc1ccc(cc1C)S(=O)(=O)CC(=O)Nc1cc(no1)[*:1]
Nc1c(NCc2ccco2)ncnc1Nc1nccs1 c1coc(c1)C[*:1] Nc1c(ncnc1N[*:1])Nc1nccs1
Nc1c(NCc2ccco2)ncnc1Nc1nccs1 c1csc(n1)[*:1] Nc1c(ncnc1N[*:1])NCc1ccco1
Nc1c(NCc2ccco2)ncnc1Nc1nccs1 c1csc(n1)N[*:1] Nc1c(ncnc1[*:1])NCc1ccco1
Nc1c(NCc2ccco2)ncnc1Nc1nccs1 c1coc(c1)[*:1] Nc1c(ncnc1Nc1nccs1)NC[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)NCc1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)NCc1ccc(cc1)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)NCc1ccc(-n2ccnc2)cc1 C[C@@H](O)[*:1] C[C@@H](CNC(=O)NCc1ccc(cc1)-n1ccnc1)C[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)NCc1ccc(-n2ccnc2)cc1 C[C@@H](O)C[*:1] C[C@@H](CNC(=O)NCc1ccc(cc1)-n1ccnc1)[*:1]
O=c1c2c(nc(SCc3ccccc3)n1-c1ccc(Br)cc1)CCS2 c1ccc(cc1)C[*:1] O=c1c2SCCc2nc(S[*:1])n1-c1ccc(Br)cc1
O=c1c2c(nc(SCc3ccccc3)n1-c1ccc(Br)cc1)CCS2 c1ccc(cc1)CS[*:1] O=c1c2SCCc2nc(n1-c1ccc(Br)cc1)[*:1]
O=c1c2c(nc(SCc3ccccc3)n1-c1ccc(Br)cc1)CCS2 c1ccc(cc1)[*:1] O=c1c2SCCc2nc(SC[*:1])n1-c1ccc(Br)cc1
O=c1c2c(nc(SCc3ccccc3)n1-c1ccc(Br)cc1)CCS2 Brc1ccc(cc1)[*:1] O=c1c2SCCc2nc(SCc2ccccc2)n1[*:1]
CC(C)C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ncnn1C CC(C)C[*:1] Cn1ncnc1[C@H](NC(=O)c1ccc(cc1)-n1cnnn1)[*:1]
CC(C)C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ncnn1C CC(C)[*:1] Cn1ncnc1[C@@H](C[*:1])NC(=O)c1ccc(cc1)-n1cnnn1
CC(C)C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ncnn1C Cn1ncnc1[*:1] CC(C)C[C@@H](NC(=O)c1ccc(cc1)-n1cnnn1)[*:1]
CC(C)C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ncnn1C c1nnnn1[*:1] CC(C)C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ncnn1C
CCc1cc(N(C)C)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)o2)n1 CN(C)[*:1] CCc1cc(nc(n1)SCc1ccc(o1)C(=O)N1CCN(CC1)C(C)=O)[*:1]
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](Cc1ccccc1)C1CC1 C1CC1[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](Cc1ccccc1)[*:1]
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](C[*:1])C1CC1
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](C1CC1)[*:1]
O=C(Nc1ccc(NC(=O)Nc2ccccc2F)cc1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Nc1ccc(cc1)NC(=O)N[*:1])Nc1ccccc1F
CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)on1 c1csc(n1)[*:1] CC(C)Cc1cc(on1)C(=O)N1CCCC[C@H]1[*:1]
CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)on1 CC(C)[*:1] O=C(c1cc(C[*:1])no1)N1CCCC[C@@H]1c1nccs1
CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)on1 CC(C)C[*:1] O=C(c1cc(no1)[*:1])N1CCCC[C@@H]1c1nccs1
O=C1[C@H](NCc2cnc(C3CCC3)s2)CCCN1c1ccccc1F C1CC(C1)[*:1] O=C1[C@@H](CCCN1c1ccccc1F)NCc1cnc(s1)[*:1]
O=C1[C@H](NCc2cnc(C3CCC3)s2)CCCN1c1ccccc1F Fc1ccccc1[*:1] O=C1[C@@H](CCCN1[*:1])NCc1cnc(s1)C1CCC1
CCOC(=O)C1=C(C)OC(N)=C([N+](=O)[O-])[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)OC(N)=C([C@H]1[*:1])[N+](=O)[O-]
CCOC(=O)C1=C(C)OC(N)=C([N+](=O)[O-])[C@@H]1c1ccccc1 O=[N+]([O-])[*:1] CCOC(=O)C1=C(C)OC(N)=C([C@@H]1c1ccccc1)[*:1]
CCOC(=O)C1=C(C)OC(N)=C([N+](=O)[O-])[C@@H]1c1ccccc1 CCOC(=O)[*:1] CC1OC(N)=C([C@@H](C=1[*:1])c1ccccc1)[N+](=O)[O-]
COC(=O)c1ccc(F)c(NC(=O)c2cccnc2SC)c1 COC(=O)[*:1] CSc1ncccc1C(=O)Nc1cc(ccc1F)[*:1]
Cc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1nc(no1)-c1ccccc1
Cc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C2CC[NH+](CC2)Cc2nc(no2)[*:1])c(C)c1
O=C1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)ccc2N1 Clc1ccccc1C[*:1] O=C1CCCc2cc(ccc2N1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
O=C1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)ccc2N1 Clc1ccccc1[*:1] O=C1CCCc2cc(ccc2N1)S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CC(C)CN1C(=O)C2(CCCC2)[NH2+]C12CCN(C(=O)c1ccoc1)CC2 CC(C)[*:1] O=C(c1ccoc1)N1CCC2(CC1)[NH2+]C1(CCCC1)C(=O)N2C[*:1]
CC(C)CN1C(=O)C2(CCCC2)[NH2+]C12CCN(C(=O)c1ccoc1)CC2 CC(C)C[*:1] O=C(c1ccoc1)N1CCC2(CC1)[NH2+]C1(CCCC1)C(=O)N2[*:1]
CC(C)CN1C(=O)C2(CCCC2)[NH2+]C12CCN(C(=O)c1ccoc1)CC2 c1cc(co1)[*:1] CC(C)CN1C(=O)C2(CCCC2)[NH2+]C12CCN(CC2)C(=O)[*:1]
N#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NS(=O)(=O)[*:1]
C[C@H]1Sc2ccc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cc2NC1=O c1ccc2c(c[nH]c2c1)[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)N1CCC(CC1)[*:1]
CNS(=O)(=O)CC(=O)N[C@H]1CCCN(c2ccccc2)C1 CNS(=O)(=O)C[*:1] O=C(N[C@H]1CCCN(C1)c1ccccc1)[*:1]
CNS(=O)(=O)CC(=O)N[C@H]1CCCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CNS(=O)(=O)CC(=O)N[C@H]1CCCN(C1)[*:1]
CNS(=O)(=O)CC(=O)N[C@H]1CCCN(c2ccccc2)C1 CNS(=O)(=O)[*:1] O=C(C[*:1])N[C@H]1CCCN(C1)c1ccccc1
COc1ccc(-c2cnnc(NCCN3CCCCC3=O)n2)cc1F O=C1CCCCN1C[*:1] COc1ccc(cc1F)-c1cnnc(n1)NC[*:1]
COc1ccc(-c2cnnc(NCCN3CCCCC3=O)n2)cc1F O=C1CCCCN1[*:1] COc1ccc(cc1F)-c1cnnc(n1)NCC[*:1]
COc1cc(F)cc(NC(=O)Nc2ccccn2)c1 c1ccc(nc1)[*:1] COc1cc(F)cc(c1)NC(=O)N[*:1]
CC(C)CCNC(=O)[C@H]1CSCN1C(=O)Cc1cccc(F)c1F Fc1cccc(c1F)[*:1] CC(C)CCNC(=O)[C@H]1CSCN1C(=O)C[*:1]
CC(C)CCNC(=O)[C@H]1CSCN1C(=O)Cc1cccc(F)c1F CC(C)[*:1] O=C(NCC[*:1])[C@H]1CSCN1C(=O)Cc1cccc(F)c1F
CC(C)CCNC(=O)[C@H]1CSCN1C(=O)Cc1cccc(F)c1F CC(C)CC[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)Cc1cccc(F)c1F
CC(C)CCNC(=O)[C@H]1CSCN1C(=O)Cc1cccc(F)c1F CC(C)CCNC(=O)[*:1] O=C(Cc1cccc(F)c1F)N1CSC[C@@H]1[*:1]
CC(C)CCNC(=O)[C@H]1CSCN1C(=O)Cc1cccc(F)c1F CC(C)C[*:1] O=C(NC[*:1])[C@H]1CSCN1C(=O)Cc1cccc(F)c1F
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2)C1=NN=C(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2)C1CC(=NN=1)[*:1]
CCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 CCNC(=O)[C@@H](C)S[*:1] c1ccc(cc1)-c1cnc(n1C[C@H]1CCCO1)[*:1]
CCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[*:1]
CCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 c1ccc(cc1)[*:1] CCNC(=O)[C@@H](C)Sc1ncc(n1C[C@H]1CCCO1)[*:1]
CCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1[*:1]
CCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 CCNC(=O)[*:1] C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)[*:1]
CCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 CCNC(=O)[C@@H](C)[*:1] c1ccc(cc1)-c1cnc(S[*:1])n1C[C@H]1CCCO1
CC(C)[C@@H]([NH3+])[C@H](C)CCc1ccccc1 CC(C)[*:1] C[C@H](CCc1ccccc1)[C@H]([NH3+])[*:1]
CCCC(=O)N1CCN(c2ccc(Nc3ccc(C)cc3)nn2)CC1 CCC[*:1] Cc1ccc(cc1)Nc1ccc(nn1)N1CCN(CC1)C(=O)[*:1]
CCCC(=O)N1CCN(c2ccc(Nc3ccc(C)cc3)nn2)CC1 Cc1ccc(cc1)[*:1] CCCC(=O)N1CCN(CC1)c1ccc(nn1)N[*:1]
CCCC(=O)N1CCN(c2ccc(Nc3ccc(C)cc3)nn2)CC1 Cc1ccc(cc1)N[*:1] CCCC(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
CO[C@@H](C[NH2+][C@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](C[NH2+][C@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)[*:1]
CO[C@@H](C[NH2+][C@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1 C1CO[C@@H](C1)[*:1] CO[C@@H](C[NH2+][C@H]1CCN(C[C@@H]1C)C[*:1])c1ccc(F)cc1
CO[C@@H](C[NH2+][C@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1 C1CO[C@@H](C1)C[*:1] CO[C@@H](C[NH2+][C@H]1CCN(C[C@@H]1C)[*:1])c1ccc(F)cc1
Cc1ccc(/C=C/C(=O)N2CCC3(CC2)OCCO3)o1 Cc1ccc(o1)[*:1] O=C(C=C[*:1])N1CCC2(CC1)OCCO2
CCN(C[C@@H](C)/C(N)=N/O)C(=O)C1(C)CCCC1 C[C@@H](/C(N)=N/O)[*:1] CCN(C[*:1])C(=O)C1(C)CCCC1
CCN(C[C@@H](C)/C(N)=N/O)C(=O)C1(C)CCCC1 CC1(CCCC1)[*:1] CCN(C[C@@H](C)/C(N)=N/O)C(=O)[*:1]
CCN(C[C@@H](C)/C(N)=N/O)C(=O)C1(C)CCCC1 N/C(=N\O)[*:1] CCN(C[C@@H](C)[*:1])C(=O)C1(C)CCCC1
CC(C)c1ccc(N(C(=O)c2ccc(Br)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 CC(C)[*:1] O=C(c1ccc(Br)cc1)N(c1ccc(cc1)[*:1])[C@@H]1C=CS(=O)(=O)C1
CC(C)c1ccc(N(C(=O)c2ccc(Br)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 Brc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)N(C(=O)[*:1])[C@@H]1C=CS(=O)(=O)C1
CCCn1c(SCC(=O)NCc2ccc(F)cc2F)nc2ccsc2c1=O Fc1ccc(c(F)c1)[*:1] CCCn1c(nc2ccsc2c1=O)SCC(=O)NC[*:1]
CCCn1c(SCC(=O)NCc2ccc(F)cc2F)nc2ccsc2c1=O CCC[*:1] O=C(CSc1nc2ccsc2c(=O)n1[*:1])NCc1ccc(F)cc1F
CCCn1c(SCC(=O)NCc2ccc(F)cc2F)nc2ccsc2c1=O Fc1ccc(C[*:1])c(F)c1 CCCn1c(nc2ccsc2c1=O)SCC(=O)N[*:1]
C[C@H]1CN([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 O=[N+]([O-])[*:1] C[C@H]1CN(CCO1)[C@@H](CNC(=O)c1ccccc1[*:1])c1c(F)cccc1Cl
C[C@H]1CN([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 O=[N+]([O-])c1ccccc1[*:1] C[C@H]1CN(CCO1)[C@@H](CNC(=O)[*:1])c1c(F)cccc1Cl
C[C@H]1CN([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])c2c(F)cccc2Cl)CCO1 Fc1cccc(Cl)c1[*:1] C[C@H]1CN(CCO1)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[*:1]
COc1cc(C)c([C@H](C)NC(=O)C[C@H]2CCCO2)cc1OC C1CO[C@H](C1)C[*:1] COc1cc(C)c(cc1OC)[C@H](C)NC(=O)[*:1]
COc1cc(C)c([C@H](C)NC(=O)C[C@H]2CCCO2)cc1OC C1CO[C@H](C1)[*:1] COc1cc(C)c(cc1OC)[C@H](C)NC(=O)C[*:1]
C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 CS(=O)(=O)[*:1] C[NH2+][C@@H]1CCC[C@@H](C1)[C@@H]1CCC[C@H](C1)[*:1]
CN(C)C(=O)CCCSc1cccc(N)c1 CN(C)C(=O)[*:1] Nc1cccc(c1)SCCC[*:1]
CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)[C@H](CNC(=O)OC(C)(C)C)C1 CS(=O)(=O)[*:1] CN1CCN(C(=O)c2cccc(c2)[*:1])[C@H](CNC(=O)OC(C)(C)C)C1
CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)[C@H](CNC(=O)OC(C)(C)C)C1 CC(C)(C)OC(=O)N[*:1] CN1CCN(C(=O)c2cccc(c2)S(C)(=O)=O)[C@@H](C1)C[*:1]
CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)[C@H](CNC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CN1CCN(C(=O)c2cccc(c2)S(C)(=O)=O)[C@H](CNC(=O)O[*:1])C1
CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)[C@H](CNC(=O)OC(C)(C)C)C1 CC(C)(C)OC(=O)NC[*:1] CN1CCN(C(=O)c2cccc(c2)S(C)(=O)=O)[C@H](C1)[*:1]
COc1ccc(-c2noc(CCC(=O)NCc3ccc4c(c3)OCO4)n2)cc1 COc1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])NCc1ccc2OCOc2c1
COc1ccc(-c2noc(CCC(=O)NCc3ccc4c(c3)OCO4)n2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)-c1noc(CCC(=O)NC[*:1])n1
O=C(OCc1nccn1CC(F)(F)F)[C@@H]1C[C@H]2CC[C@@H]1C2 FC(F)(F)C[*:1] O=C(OCc1nccn1[*:1])[C@@H]1C[C@H]2CC[C@@H]1C2
O=C(OCc1nccn1CC(F)(F)F)[C@@H]1C[C@H]2CC[C@@H]1C2 FC(F)(F)[*:1] O=C(OCc1nccn1C[*:1])[C@@H]1C[C@H]2CC[C@@H]1C2
Cc1ccc(OC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 CS(=O)(=O)[*:1] Cc1ccc(OC(=O)c2cccc(c2)[*:1])c(C)c1
Cc1c(CC(=O)[O-])c(O)oc2cc(=O)cc(O)c1-2 O=C([O-])[*:1] Cc1c(C[*:1])c(O)oc2cc(=O)cc(O)c1-2
Cc1c(CC(=O)[O-])c(O)oc2cc(=O)cc(O)c1-2 O=C([O-])C[*:1] Cc1c2-c(cc(=O)cc2O)oc(O)c1[*:1]
COCCNC(=O)C(=O)NCc1ccc(C(C)C)cc1 COC[*:1] CC(C)c1ccc(cc1)CNC(=O)C(=O)NC[*:1]
COCCNC(=O)C(=O)NCc1ccc(C(C)C)cc1 COCC[*:1] CC(C)c1ccc(cc1)CNC(=O)C(=O)N[*:1]
COCCNC(=O)C(=O)NCc1ccc(C(C)C)cc1 CC(C)[*:1] COCCNC(=O)C(=O)NCc1ccc(cc1)[*:1]
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1 O=C([O-])[*:1] O=C(c1ccccc1)N1C[C@H](O)C[C@H]1[*:1]
CCOCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 CCOCC(=O)N[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1[*:1]
CCOCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CCOCC(=O)Nc1ccccc1C(=O)N[*:1]
CCOCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 CCO[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NC[C@H]1CCCO1
CCOCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCOCC(=O)Nc1ccccc1C(=O)NC[*:1]
CCOCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 CCOC[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[*:1]
CC(C)(C)OC(=O)N1CCc2ncn(Cc3cc(F)c(F)c(F)c3)c(=O)c2C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCc2ncn(Cc3cc(F)c(F)c(F)c3)c(=O)c2C1
CC(C)(C)OC(=O)N1CCc2ncn(Cc3cc(F)c(F)c(F)c3)c(=O)c2C1 Fc1cc(cc(F)c1F)[*:1] CC(C)(C)OC(=O)N1CCc2ncn(C[*:1])c(=O)c2C1
COC(=O)CCOc1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2C)cc1 COC(=O)C[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)Nc1ccc(cc1)OC[*:1]
COC(=O)CCOc1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2C)cc1 COC(=O)[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)Nc1ccc(cc1)OCC[*:1]
COC(=O)CCOc1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2C)cc1 COC(=O)CC[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)Nc1ccc(cc1)O[*:1]
COC(=O)CCOc1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2C)cc1 COC(=O)CCO[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C(=O)O/N=C(\N)Cc2cccc3ccccc23)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)O/N=C(\N)Cc1cccc2ccccc12
CN(CCCNC(=O)c1ccncc1Cl)c1ccccc1F Clc1cnccc1[*:1] CN(CCCNC(=O)[*:1])c1ccccc1F
CN(CCCNC(=O)c1ccncc1Cl)c1ccccc1F Fc1ccccc1[*:1] CN(CCCNC(=O)c1ccncc1Cl)[*:1]
CC(C)C[C@@H](O)CNC(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 CC(C)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1ccccc1NC(=O)NC[C@H](O)[*:1]
CC(C)C[C@@H](O)CNC(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 CC(C)C[C@@H](O)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1ccccc1NC(=O)N[*:1]
CC(C)C[C@@H](O)CNC(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 CC(C)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1ccccc1NC(=O)NC[C@H](O)C[*:1]
CC(C)C[C@@H](O)CNC(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 CC(C)C[C@@H](O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1ccccc1NC(=O)NC[*:1]
CS(=O)(=O)c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 FC(F)(F)COC[*:1] CS(=O)(=O)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CS(=O)(=O)c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 FC(F)(F)CO[*:1] CS(=O)(=O)c1cccc(c1)NC(=O)c1ccc(cc1)C[*:1]
CS(=O)(=O)c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 FC(F)(F)C[*:1] CS(=O)(=O)c1cccc(c1)NC(=O)c1ccc(cc1)CO[*:1]
CS(=O)(=O)c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 FC(F)(F)[*:1] CS(=O)(=O)c1cccc(c1)NC(=O)c1ccc(cc1)COC[*:1]
CS(=O)(=O)c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 CS(=O)(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)COCC(F)(F)F
C[C@H]1OCC[C@H]1C(=O)NCc1noc(C(C)(C)C)n1 CC(C)(C)[*:1] C[C@H]1OCC[C@H]1C(=O)NCc1noc(n1)[*:1]
CN(CCOCC1CC1)C(=O)c1cnc([C@@H]2CCCO2)s1 C1CC1[*:1] CN(CCOC[*:1])C(=O)c1cnc(s1)[C@@H]1CCCO1
CN(CCOCC1CC1)C(=O)c1cnc([C@@H]2CCCO2)s1 C1CC1CO[*:1] CN(CC[*:1])C(=O)c1cnc(s1)[C@@H]1CCCO1
CN(CCOCC1CC1)C(=O)c1cnc([C@@H]2CCCO2)s1 C1CC1COC[*:1] CN(C[*:1])C(=O)c1cnc(s1)[C@@H]1CCCO1
CN(CCOCC1CC1)C(=O)c1cnc([C@@H]2CCCO2)s1 C(C[*:1])OCC1CC1 CN(C(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
CN(CCOCC1CC1)C(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CN(CCOCC1CC1)C(=O)c1cnc(s1)[*:1]
CN(CCOCC1CC1)C(=O)c1cnc([C@@H]2CCCO2)s1 C1CC1C[*:1] CN(CCO[*:1])C(=O)c1cnc(s1)[C@@H]1CCCO1
C[C@@H](C#N)Sc1nc2ccccc2c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C#N)Sc1nc2ccccc2c(=O)n1[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccs2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cccs1
CCC[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)C1CC1 CCC[*:1] O=C(NC1CCCCC1)N1CCC(CC1)[NH2+][C@@H](C1CC1)[*:1]
CCC[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)C1CC1 C1CC1[*:1] CCC[C@@H]([NH2+]C1CCN(CC1)C(=O)NC1CCCCC1)[*:1]
CCC[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)C1CC1 C1CCC(CC1)[*:1] CCC[C@@H]([NH2+]C1CCN(CC1)C(=O)N[*:1])C1CC1
CCOc1cc(C)ccc1NC(=O)c1[nH]nc(C2CC2)c1Cl CCO[*:1] Cc1ccc(NC(=O)c2[nH]nc(c2Cl)C2CC2)c(c1)[*:1]
CCOc1cc(C)ccc1NC(=O)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] CCOc1cc(C)ccc1NC(=O)c1[nH]nc(c1Cl)[*:1]
COC(=O)c1sccc1C[NH+](C)CC(=O)N(C)C CN(C)C(=O)C[*:1] COC(=O)c1sccc1C[NH+](C)[*:1]
COC(=O)c1sccc1C[NH+](C)CC(=O)N(C)C COC(=O)[*:1] CN(C)C(=O)C[NH+](C)Cc1ccsc1[*:1]
COC(=O)c1sccc1C[NH+](C)CC(=O)N(C)C CN(C)C(=O)[*:1] COC(=O)c1sccc1C[NH+](C)C[*:1]
COc1ccc(-c2noc(CCC(=O)Nc3cccc(O)c3)n2)cc1OC Oc1cccc(c1)[*:1] COc1ccc(cc1OC)-c1noc(CCC(=O)N[*:1])n1
CCN1C(=O)[C@](C)(C(=O)NC[C@@H]2CCCO2)Oc2ccccc21 C1CO[C@@H](C1)[*:1] CCN1C(=O)[C@@](C)(Oc2ccccc21)C(=O)NC[*:1]
CCN1C(=O)[C@](C)(C(=O)NC[C@@H]2CCCO2)Oc2ccccc21 C1CO[C@@H](C1)C[*:1] CCN1C(=O)[C@@](C)(Oc2ccccc21)C(=O)N[*:1]
c1cnn(C[C@H]2CN(CCCOc3ccc4c(c3)OCO4)CCO2)c1 c1cnn(c1)[*:1] c1cc2OCOc2cc1OCCCN1CCO[C@H](C1)C[*:1]
c1cnn(C[C@H]2CN(CCCOc3ccc4c(c3)OCO4)CCO2)c1 c1cnn(c1)C[*:1] c1cc2OCOc2cc1OCCCN1CCO[C@H](C1)[*:1]
Cc1csc(-n2[nH]c(C)c(CCC(=O)Nc3cccc(Cl)c3)c2=O)n1 Cc1csc(n1)[*:1] Cc1[nH]n(c(=O)c1CCC(=O)Nc1cccc(Cl)c1)[*:1]
Cc1csc(-n2[nH]c(C)c(CCC(=O)Nc3cccc(Cl)c3)c2=O)n1 Clc1cccc(c1)[*:1] Cc1csc(n1)-n1[nH]c(C)c(CCC(=O)N[*:1])c1=O
COc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1 COc1ccc(cc1)[*:1] O=C(N1CCc2cc(ccc21)S(=O)(=O)NC1CCCC1)[*:1]
COc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)C(=O)N1CCc2cc(ccc21)S(=O)(=O)N[*:1]
COc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1 O=S(=O)(NC1CCCC1)[*:1] COc1ccc(cc1)C(=O)N1CCc2cc(ccc21)[*:1]
Cc1cc(C)c(CNC(=O)CC2CC[NH+](C(C)C)CC2)cn1 CC(C)[*:1] Cc1cc(C)c(cn1)CNC(=O)CC1CC[NH+](CC1)[*:1]
CCO[C@H]1C[C@H](NC(=O)Nc2cnccc2C)C1(C)C CCO[*:1] Cc1ccncc1NC(=O)N[C@H]1C[C@@H](C1(C)C)[*:1]
CC(C)(CBr)CN1C(=O)C(C)(C)S1(=O)=O CC(C)(CBr)[*:1] CC1(C)C(=O)N(C[*:1])S1(=O)=O
CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1C[*:1]
CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 CCc1cccc(C)c1[*:1] O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc2OCOc2c1)N[*:1]
CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CCC(=O)N(C)c1ccccc1C(=O)N[C@H](C)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] CCC(=O)N(C)c1ccccc1C(=O)N[C@H](C)c1nc(no1)[*:1]
CCC(=O)N(C)c1ccccc1C(=O)N[C@H](C)c1nc(C2CCCC2)no1 CCC(=O)N(C)[*:1] C[C@@H](NC(=O)c1ccccc1[*:1])c1nc(no1)C1CCCC1
CC(C)[C@@]1(CC2CCOCC2)CCC[NH2+]1 CC(C)[*:1] C1C[NH2+][C@](C1)(CC1CCOCC1)[*:1]
O=C(CNc1ccccc1)NNC(=O)CSc1ccc2c(c1)CCC2 c1ccc(cc1)[*:1] O=C(CN[*:1])NNC(=O)CSc1ccc2CCCc2c1
O=C(CNc1ccccc1)NNC(=O)CSc1ccc2c(c1)CCC2 c1ccc(cc1)N[*:1] O=C(CSc1ccc2CCCc2c1)NNC(=O)C[*:1]
O=C(CNc1ccccc1)NNC(=O)CSc1ccc2c(c1)CCC2 c1ccc(cc1)NC[*:1] O=C(CSc1ccc2CCCc2c1)NNC(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1)[*:1]
COC(=O)c1cncc(NC[C@@H]2CCCC[C@@H]2C)n1 COC(=O)[*:1] C[C@H]1CCCC[C@H]1CNc1cncc(n1)[*:1]
COc1ccc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)c(OC)c1OC O=C1CCCCN1[*:1] COc1ccc(C(=O)Nc2ccc(C)c(c2)[*:1])c(OC)c1OC
Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cn(-c3ccccc3)nn1)CC2 c1ccc(cc1)[*:1] Cc1nc2CC[C@@H](Cn2n1)[NH2+]Cc1cn(nn1)[*:1]
COC(=O)Nc1ccc(Nc2nnc(-c3ccccc3)s2)cc1 COC(=O)N[*:1] c1ccc(cc1)-c1nnc(Nc2ccc(cc2)[*:1])s1
COC(=O)Nc1ccc(Nc2nnc(-c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] COC(=O)Nc1ccc(cc1)Nc1nnc(s1)[*:1]
O=C1N(Cc2cccc(F)c2)c2ccccc2S(=O)(=O)N1c1ccc(F)cc1 Fc1cccc(c1)[*:1] O=C1N(C[*:1])c2ccccc2S(=O)(=O)N1c1ccc(F)cc1
O=C1N(Cc2cccc(F)c2)c2ccccc2S(=O)(=O)N1c1ccc(F)cc1 Fc1cccc(c1)C[*:1] O=C1N(c2ccc(F)cc2)S(=O)(=O)c2ccccc2N1[*:1]
O=C1N(Cc2cccc(F)c2)c2ccccc2S(=O)(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1N(Cc2cccc(F)c2)c2ccccc2S(=O)(=O)N1[*:1]
C=CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1 C=CC[*:1] O=C(O[*:1])/C(=C/c1ccc2OCOc2c1)NC(=O)c1cccc(Br)c1
C=CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C=CCOC(=O)/C(=C/c1ccc2OCOc2c1)NC(=O)[*:1]
C=CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1 C=CCOC(=O)[*:1] O=C(N/C(=C\c1ccc2OCOc2c1)[*:1])c1cccc(Br)c1
C=CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1 c1cc2OCOc2cc1[*:1] C=CCOC(=O)C(=C[*:1])NC(=O)c1cccc(Br)c1
CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)ccc1O CCOc1cc(ccc1O)[*:1] N#CC1=C2SCN(CN2C(=O)C[C@H]1[*:1])c1ccc(Br)cc1
CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)ccc1O Brc1ccc(cc1)[*:1] CCOc1cc(ccc1O)[C@@H]1CC(=O)N2CN(CSC2=C1C#N)[*:1]
CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)ccc1O CCO[*:1] N#CC1=C2SCN(CN2C(=O)C[C@H]1c1ccc(O)c(c1)[*:1])c1ccc(Br)cc1
C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H](C)CO C[C@@H](CO)[*:1] C[C@H](NC(=O)N[C@@H]1CCN(C1=O)c1cccc(Cl)c1)[*:1]
C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H](C)CO Clc1cccc(c1)[*:1] C[C@H](NC(=O)N[C@@H]1CCN(C1=O)[*:1])[C@@H](C)CO
C[C@@H](NC(=O)c1ccc[n+]([O-])c1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](NC(=O)c1ccc[n+]([O-])c1)c1ccccc1[*:1]
C[C@@H](NC(=O)c1ccc[n+]([O-])c1)c1ccccc1C(F)(F)F [O-][n+]1cccc(c1)[*:1] C[C@@H](NC(=O)[*:1])c1ccccc1C(F)(F)F
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(Br)c(C)nn3C)[C@H]2SC1 O=C([O-])[*:1] CC1CS[C@@H]2[C@H](NC(=O)c3c(Br)c(C)nn3C)C(=O)N2C=1[*:1]
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(Br)c(C)nn3C)[C@H]2SC1 Cc1nn(C)c(c1Br)[*:1] CC1CS[C@@H]2[C@H](NC(=O)[*:1])C(=O)N2C=1C(=O)[O-]
C=C(C)COCc1nc2ccccc2n1CC(=C)C C=C(C)COC[*:1] C=C(C)Cn1c(nc2ccccc21)[*:1]
C=C(C)COCc1nc2ccccc2n1CC(=C)C C=C(C)[*:1] C=C(C)Cn1c(COC[*:1])nc2ccccc21
C=C(C)COCc1nc2ccccc2n1CC(=C)C C=C(C)C[*:1] C=C(C)Cn1c(CO[*:1])nc2ccccc21
C=C(C)COCc1nc2ccccc2n1CC(=C)C C=C(C)C[*:1] C=C(C)COCc1nc2ccccc2n1[*:1]
C=C(C)COCc1nc2ccccc2n1CC(=C)C C=C(C)[*:1] C=C(C)COCc1nc2ccccc2n1C[*:1]
C=C(C)COCc1nc2ccccc2n1CC(=C)C C=C(C)CO[*:1] C=C(C)Cn1c(C[*:1])nc2ccccc21
CC[C@H](C)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)[*:1]
CC[C@H](C)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] CC[C@H](C)[*:1] O=C1CN(C(=O)N[C@@H](C(=O)[O-])[*:1])c2ccccc2N1
O=C([O-])CC[NH+]1CCN(Cc2ccccc2C2CC2)CC1 O=C([O-])[*:1] c1ccc(c(c1)CN1CC[NH+](CC1)CC[*:1])C1CC1
O=C([O-])CC[NH+]1CCN(Cc2ccccc2C2CC2)CC1 C1CC1[*:1] O=C([O-])CC[NH+]1CCN(CC1)Cc1ccccc1[*:1]
N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@H]1c1ccccc1F c1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1c1ccccc1F)OC(=O)C=C[*:1]
N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@H]1c1ccccc1F Fc1ccccc1[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1[*:1])OC(=O)/C=C/c1ccccc1
N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@H]1c1ccccc1F C(=C[*:1])c1ccccc1 N#CC1=C(N)Oc2cc(ccc2[C@H]1c1ccccc1F)OC(=O)[*:1]
O=S(=O)(NCc1ccc(-n2cncn2)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=S(=O)(NCc1ccc(cc1)-n1cncn1)[*:1]
O=S(=O)(NCc1ccc(-n2cncn2)cc1)c1cccc(Cl)c1 c1ncn(n1)[*:1] O=S(=O)(NCc1ccc(cc1)[*:1])c1cccc(Cl)c1
O=C(NCc1ccc2c(c1)OCCCO2)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(NCc1ccc2OCCCOc2c1)[C@H]1CCCN1C(=O)[*:1]
COC(=O)c1ccc(CN(C)C(=O)Nc2cc(C#N)ccc2Cl)cc1 COC(=O)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)Nc1cc(C#N)ccc1Cl
Cc1[nH]c2ccccc2c1SCCNC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1[nH]c2ccccc2c1SCCNC(=O)C[*:1]
Cc1[nH]c2ccccc2c1SCCNC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1[nH]c2ccccc2c1SCCNC(=O)[*:1]
COC1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CCOCC1 COC1(CCOCC1)[*:1] c1c2CCCc2cc2c1OCCC[C@@H]2[NH2+]C[*:1]
COc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(=O)[O-])C2=O)cc1OC O=C([O-])[*:1] COc1ccc(/C=C2\SC(=O)N(CC(=O)NC[*:1])C2=O)cc1OC
COc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(=O)[O-])C2=O)cc1OC O=C([O-])C[*:1] COc1ccc(/C=C2\SC(=O)N(CC(=O)N[*:1])C2=O)cc1OC
COc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(=O)[O-])C2=O)cc1OC O=C([O-])CNC(=O)C[*:1] COc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1OC
COc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(=O)[O-])C2=O)cc1OC O=C([O-])CNC(=O)[*:1] COc1ccc(/C=C2\SC(=O)N(C[*:1])C2=O)cc1OC
CC(C)CCC(=O)N1C[C@H](C)O[C@@H](C)C1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)CC[*:1]
CC(C)CCC(=O)N1C[C@H](C)O[C@@H](C)C1 CC(C)CC[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)[*:1]
CC(C)CCC(=O)N1C[C@H](C)O[C@@H](C)C1 CC(C)C[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)C[*:1]
Cc1ccc(C[NH2+][C@H](C)CN2CCOC2=O)nc1 O=C1OCCN1[*:1] Cc1ccc(C[NH2+][C@H](C)C[*:1])nc1
COc1ccccc1CC(=O)Nc1ccncc1 c1cc(ccn1)[*:1] COc1ccccc1CC(=O)N[*:1]
C[C@H](O)C[C@@H](Cc1cccc(Br)c1)C(=O)[O-] C[C@H](O)[*:1] O=C([O-])[C@H](Cc1cccc(Br)c1)C[*:1]
C[C@H](O)C[C@@H](Cc1cccc(Br)c1)C(=O)[O-] C[C@H](O)C[*:1] O=C([O-])[C@H](Cc1cccc(Br)c1)[*:1]
C[C@H](O)C[C@@H](Cc1cccc(Br)c1)C(=O)[O-] O=C([O-])[*:1] C[C@H](O)C[C@@H](Cc1cccc(Br)c1)[*:1]
CC(C)N(CC#N)C(=O)CC12CC3CC(CC(C3)C1)C2 CC(C)[*:1] N#CCN(C(=O)CC12CC3CC(CC(C3)C1)C2)[*:1]
CC(C)N(CC#N)C(=O)CC12CC3CC(CC(C3)C1)C2 N#CC[*:1] CC(C)N(C(=O)CC12CC3CC(CC(C3)C1)C2)[*:1]
C/C(=N/NC(=O)c1ccc(O)cc1)c1cccs1 c1csc(c1)[*:1] CC(=NNC(=O)c1ccc(O)cc1)[*:1]
COc1cc(OC)c(OC)cc1/C=C(/C#N)C(N)=O NC(=O)[*:1] COc1cc(OC)c(cc1C=C(C#N)[*:1])OC
COc1ccc(CNC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)CNC(=O)Cn1ncc2c(C)n(C[*:1])c(C)c2c1=O
COc1ccc(CNC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)cc1 COc1ccc(cc1)[*:1] Cc1c2cnn(CC(=O)NC[*:1])c(=O)c2c(C)n1Cc1ccccc1F
COc1ccc(CNC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)cc1 COc1ccc(cc1)C[*:1] Cc1c2cnn(CC(=O)N[*:1])c(=O)c2c(C)n1Cc1ccccc1F
COc1ccc(CNC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)CNC(=O)Cn1ncc2c(C)n(c(C)c2c1=O)[*:1]
COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](CO)CC(C)(C)C CC(C)(C)C[*:1] COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](CO)[*:1]
COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](CO)CC(C)(C)C CC(C)(C)[*:1] COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](CO)C[*:1]
CC(C)Oc1nc(NCc2ccccn2)ccc1N c1ccc(nc1)[*:1] CC(C)Oc1nc(ccc1N)NC[*:1]
CC(C)Oc1nc(NCc2ccccn2)ccc1N CC(C)[*:1] Nc1ccc(nc1O[*:1])NCc1ccccn1
CC(C)Oc1nc(NCc2ccccn2)ccc1N CC(C)O[*:1] Nc1ccc(nc1[*:1])NCc1ccccn1
COc1ccccc1[C@@H](NC(=O)c1ccc2nncn2c1)C(C)(C)C COc1ccccc1[*:1] CC(C)(C)[C@H](NC(=O)c1ccc2nncn2c1)[*:1]
COc1ccccc1[C@@H](NC(=O)c1ccc2nncn2c1)C(C)(C)C CC(C)(C)[*:1] COc1ccccc1[C@@H](NC(=O)c1ccc2nncn2c1)[*:1]
CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cccc(F)c2)NC(=O)N1 Clc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)[*:1])c1cccc(F)c1
CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cccc(F)c2)NC(=O)N1 Fc1cccc(c1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)c1ccc(Cl)cc1)[*:1]
O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(OC[C@H]2CCCO2)c1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cccc(c1)OC[C@H]1CCCO1
Cc1cc(C(=O)OCc2cc(-c3ccc4c(c3)O[C@H](C)C4)on2)no1 Cc1cc(no1)[*:1] C[C@@H]1Cc2ccc(cc2O1)-c1cc(COC(=O)[*:1])no1
Cn1cc(C#N)c(=O)n(C[C@H](O)c2ccc(OC(F)(F)F)cc2)c1=O FC(F)(F)O[*:1] Cn1cc(C#N)c(=O)n(C[C@H](O)c2ccc(cc2)[*:1])c1=O
Cn1cc(C#N)c(=O)n(C[C@H](O)c2ccc(OC(F)(F)F)cc2)c1=O FC(F)(F)[*:1] Cn1cc(C#N)c(=O)n(C[C@H](O)c2ccc(cc2)O[*:1])c1=O
Cc1nc(C)c(C[NH2+]C[C@H](C(C)C)N2CCOCC2)s1 C1CN(CCO1)[*:1] Cc1nc(C)c(C[NH2+]C[C@H](C(C)C)[*:1])s1
Cc1nc(C)c(C[NH2+]C[C@H](C(C)C)N2CCOCC2)s1 CC(C)[*:1] Cc1nc(C)c(C[NH2+]C[C@H](N2CCOCC2)[*:1])s1
C[C@@](N)(C(=O)NCCC(=O)N1CCCC1)C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(C(=O)NCCC(=O)N1CCCC1)[*:1]
CCCC[C@@H](C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)N1CCCS1(=O)=O CCC[*:1] C[C@H]1CCCCN1C(=O)CN1CCN(CC1)C(=O)[C@H](C[*:1])N1CCCS1(=O)=O
CCCC[C@@H](C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)N1CCCS1(=O)=O CCCC[*:1] C[C@H]1CCCCN1C(=O)CN1CCN(CC1)C(=O)[C@@H](N1CCCS1(=O)=O)[*:1]
CCCC[C@@H](C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)N1CCCS1(=O)=O C[C@H]1CCCCN1C(=O)[*:1] CCCC[C@@H](C(=O)N1CCN(CC1)C[*:1])N1CCCS1(=O)=O
CCCC[C@@H](C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)N1CCCS1(=O)=O C[C@H]1CCCCN1C(=O)C[*:1] CCCC[C@@H](C(=O)N1CCN(CC1)[*:1])N1CCCS1(=O)=O
O=C(C[C@@H]1CSc2nccc(=O)n21)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(C[C@@H]1CSc2nccc(=O)n21)N[*:1]
CC(C)(C)C(=O)COC(=O)CCc1nc2ccccc2[nH]c1=O CC(C)(C)[*:1] O=C(CCc1nc2ccccc2[nH]c1=O)OCC(=O)[*:1]
CC(C)(C)C(=O)COC(=O)CCc1nc2ccccc2[nH]c1=O CC(C)(C)C(=O)[*:1] O=C(CCc1nc2ccccc2[nH]c1=O)OC[*:1]
CC(C)(C)C(=O)COC(=O)CCc1nc2ccccc2[nH]c1=O CC(C)(C)C(=O)C[*:1] O=C(CCc1nc2ccccc2[nH]c1=O)O[*:1]
CCCn1nc(C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)ccc1=O CCC[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(=O)n(n1)[*:1]
Cc1ccc2[nH]nc(C(=O)NCc3nc(-c4ccc(NC(=O)Cc5ccccc5)cc4)oc3C)c2c1 c1ccc(cc1)C[*:1] Cc1ccc2[nH]nc(C(=O)NCc3nc(oc3C)-c3ccc(cc3)NC(=O)[*:1])c2c1
Cc1ccc2[nH]nc(C(=O)NCc3nc(-c4ccc(NC(=O)Cc5ccccc5)cc4)oc3C)c2c1 O=C(Cc1ccccc1)N[*:1] Cc1ccc2[nH]nc(C(=O)NCc3nc(oc3C)-c3ccc(cc3)[*:1])c2c1
Cc1ccc2[nH]nc(C(=O)NCc3nc(-c4ccc(NC(=O)Cc5ccccc5)cc4)oc3C)c2c1 c1ccc(cc1)[*:1] Cc1ccc2[nH]nc(C(=O)NCc3nc(oc3C)-c3ccc(cc3)NC(=O)C[*:1])c2c1
Cc1ccc2[nH]nc(C(=O)NCc3nc(-c4ccc(NC(=O)Cc5ccccc5)cc4)oc3C)c2c1 Cc1ccc2[nH]nc(c2c1)[*:1] Cc1oc(nc1CNC(=O)[*:1])-c1ccc(cc1)NC(=O)Cc1ccccc1
O=C(CCc1nncn1-c1ccccc1)Nc1cccnc1Cl c1ccc(cc1)[*:1] O=C(CCc1nncn1[*:1])Nc1cccnc1Cl
O=C(CCc1nncn1-c1ccccc1)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(CCc1nncn1-c1ccccc1)N[*:1]
COc1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1OC O=C1CCS(=O)(=O)N1[*:1] COc1ccc(cc1OC)NC(=O)c1ccc(cc1Cl)[*:1]
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCC[C@@H](C1)C(F)(F)F)C1(CC1)[*:1]
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1(c2ccccc2)CC1 FC(F)(F)[*:1] O=C(N[C@@H]1CCC[C@H](C1)[*:1])C1(CC1)c1ccccc1
COc1ccc(-c2n[nH]c(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1n[nH]c(n1)NC(=O)c1cccc(c1)[*:1]
COc1ccc(-c2n[nH]c(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc(n[nH]1)[*:1])c1cccc(c1)C(F)(F)F
COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1cccc(Cl)c1 c1ccc(cc1)[*:1] COC(=O)C1=C(N)Oc2cc(C)n(C[*:1])c(=O)c2[C@@H]1c1cccc(Cl)c1
COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1cccc(Cl)c1 c1ccc(cc1)C[*:1] COC(=O)C1=C(N)Oc2cc(C)n(c(=O)c2[C@@H]1c1cccc(Cl)c1)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1cccc(Cl)c1 COC(=O)[*:1] Cc1cc2OC(N)=C([C@@H](c3cccc(Cl)c3)c2c(=O)n1Cc1ccccc1)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1[*:1]
COC(=O)[C@@H](NC(=O)Cn1cnnn1)c1ccc(Cl)c(F)c1 c1nnnn1[*:1] COC(=O)[C@@H](NC(=O)C[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@@H](NC(=O)Cn1cnnn1)c1ccc(Cl)c(F)c1 COC(=O)[*:1] O=C(Cn1cnnn1)N[C@@H](c1ccc(Cl)c(F)c1)[*:1]
COC(=O)[C@@H](NC(=O)Cn1cnnn1)c1ccc(Cl)c(F)c1 c1nnnn1C[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(Cl)c(F)c1
O=C1N[C@H](c2cccc(Oc3ccccc3)c2)Oc2ccccc21 c1ccc(cc1)[*:1] O=C1N[C@@H](Oc2ccccc21)c1cccc(c1)O[*:1]
O=C1N[C@H](c2cccc(Oc3ccccc3)c2)Oc2ccccc21 c1ccc(cc1)O[*:1] O=C1N[C@@H](Oc2ccccc21)c1cccc(c1)[*:1]
COc1ccc(CC(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 COc1ccc(cc1)C[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2n1Cc1ccccc1
COc1ccc(CC(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N[C@@H](C)c1nc2ccccc2n1C[*:1]
COc1ccc(CC(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)CC(=O)N[C@@H](C)c1nc2ccccc2n1[*:1]
COc1ccc(CC(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)C[*:1])c1nc2ccccc2n1Cc1ccccc1
COc1cccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)c1 Cc1ccccc1[*:1] COc1cccc(c1)C(=O)N1CCN(C(=O)C1)[*:1]
COc1cccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)c1 COc1cccc(c1)[*:1] Cc1ccccc1N1CCN(CC1=O)C(=O)[*:1]
CC(C)c1cc(C(=O)N2CCC(C)(C)C2)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)N1CCC(C)(C)C1
CC(C)c1cc(C(=O)N2CCC(C)(C)C2)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)c1cc(C(=O)N2CCC(C)(C)C2)c2cnn(c2n1)[*:1]
CC(=O)N1CCC[C@H](C(=O)N(CC(=O)[O-])CC(F)(F)F)C1 FC(F)(F)C[*:1] CC(=O)N1CCC[C@@H](C1)C(=O)N(CC(=O)[O-])[*:1]
CC(=O)N1CCC[C@H](C(=O)N(CC(=O)[O-])CC(F)(F)F)C1 FC(F)(F)[*:1] CC(=O)N1CCC[C@@H](C1)C(=O)N(CC(=O)[O-])C[*:1]
CC(=O)N1CCC[C@H](C(=O)N(CC(=O)[O-])CC(F)(F)F)C1 O=C([O-])[*:1] CC(=O)N1CCC[C@@H](C1)C(=O)N(CC(F)(F)F)C[*:1]
CC(=O)N1CCC[C@H](C(=O)N(CC(=O)[O-])CC(F)(F)F)C1 O=C([O-])C[*:1] CC(=O)N1CCC[C@@H](C1)C(=O)N(CC(F)(F)F)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCCC2)c1C C1CCCC(CC1)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N[C@@H](C)C(=O)N[*:1]
O=C=NC(c1ccccc1)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C=NC(c1ccccc1)(c1ccccc1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)C1 Clc1cccc(Cl)c1[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1c(noc1C)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)C1 CCOC(=O)[*:1] Cc1onc(c1C(=O)N1CCC[C@H](C1)[*:1])-c1c(Cl)cccc1Cl
CSc1cccc(N2C[C@@H](C(=O)NCc3ccc(NC(=O)C(C)C)cc3)CC2=O)c1 CSc1cccc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
CSc1cccc(N2C[C@@H](C(=O)NCc3ccc(NC(=O)C(C)C)cc3)CC2=O)c1 CC(C)C(=O)N[*:1] CSc1cccc(c1)N1C[C@H](CC1=O)C(=O)NCc1ccc(cc1)[*:1]
CSc1cccc(N2C[C@@H](C(=O)NCc3ccc(NC(=O)C(C)C)cc3)CC2=O)c1 CC(C)[*:1] CSc1cccc(c1)N1C[C@H](CC1=O)C(=O)NCc1ccc(cc1)NC(=O)[*:1]
C[C@@H]1CC[C@@H](C(=O)[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 O=C([O-])[*:1] C[C@@H]1CC[C@@H]([C@H]2C(=O)N(C(=O)[C@@H]21)c1ccccc1)[*:1]
C[C@@H]1CC[C@@H](C(=O)[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 c1ccc(cc1)[*:1] C[C@@H]1CC[C@@H](C(=O)[O-])[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1]
Cc1cc(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)c(C)o1 Cc1cc(c(C)o1)[*:1] NC(=O)c1ccn(n1)-c1ccccc1NC(=O)[*:1]
Cc1cc(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)c(C)o1 NC(=O)c1ccn(n1)[*:1] Cc1cc(C(=O)Nc2ccccc2[*:1])c(C)o1
Cc1cc(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)c(C)o1 NC(=O)[*:1] Cc1cc(C(=O)Nc2ccccc2-n2ccc(n2)[*:1])c(C)o1
Cc1ccc(C=NNC(=O)COc2cccc(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(OCC(=O)NN=C[*:1])c1C
CCC1=C(C(=O)OC)[C@H](c2cccc(Br)c2)NC(=S)N1 COC(=O)[*:1] CCC1NC(=S)N[C@H](C=1[*:1])c1cccc(Br)c1
O=C(NCCCc1n[nH]c(=O)[nH]1)[C@H]1C[C@@H]1c1c(F)cccc1F O=c1[nH]nc(C[*:1])[nH]1 O=C(NCC[*:1])[C@H]1C[C@@H]1c1c(F)cccc1F
O=C(NCCCc1n[nH]c(=O)[nH]1)[C@H]1C[C@@H]1c1c(F)cccc1F O=c1[nH]nc([nH]1)[*:1] O=C(NCCC[*:1])[C@H]1C[C@@H]1c1c(F)cccc1F
CCC(=O)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O c1coc(c1)C[*:1] CCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)[*:1]
CCC(=O)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O c1coc(c1)[*:1] CCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[*:1]
COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] COc1cc(ccc1NC(=O)c1cc2ccccc2o1)NC(=O)[*:1]
COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c(OC)c1 c1ccc2oc(cc2c1)[*:1] COc1ccc(C(=O)Nc2ccc(NC(=O)[*:1])c(c2)OC)c(c1)OC
CCNc1cc(C)c(S(=O)(=O)N(C)CC)cc1[N+](=O)[O-] CCN[*:1] CCN(C)S(=O)(=O)c1cc(c(cc1C)[*:1])[N+](=O)[O-]
CCNc1cc(C)c(S(=O)(=O)N(C)CC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1cc(C)c(cc1[*:1])S(=O)(=O)N(C)CC
O=C(CSc1ccc(Cl)cc1)NNC(=O)Nc1ccc(F)cc1F Clc1ccc(cc1)[*:1] O=C(CS[*:1])NNC(=O)Nc1ccc(F)cc1F
O=C(CSc1ccc(Cl)cc1)NNC(=O)Nc1ccc(F)cc1F Clc1ccc(cc1)S[*:1] O=C(C[*:1])NNC(=O)Nc1ccc(F)cc1F
O=C(CSc1ccc(Cl)cc1)NNC(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CSc1ccc(Cl)cc1)NNC(=O)N[*:1]
C=CCN(CC(F)(F)F)C(=O)c1[nH]nc(C2CC2)c1Cl FC(F)(F)C[*:1] C=CCN(C(=O)c1[nH]nc(c1Cl)C1CC1)[*:1]
C=CCN(CC(F)(F)F)C(=O)c1[nH]nc(C2CC2)c1Cl FC(F)(F)[*:1] C=CCN(C[*:1])C(=O)c1[nH]nc(c1Cl)C1CC1
C=CCN(CC(F)(F)F)C(=O)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] C=CCN(CC(F)(F)F)C(=O)c1[nH]nc(c1Cl)[*:1]
C=CCN(CC(F)(F)F)C(=O)c1[nH]nc(C2CC2)c1Cl C=CC[*:1] O=C(c1[nH]nc(c1Cl)C1CC1)N(CC(F)(F)F)[*:1]
CCCS(=O)(=O)c1ccc(SC[C@@H](C)CCl)cc1 CCCS(=O)(=O)[*:1] C[C@@H](CCl)CSc1ccc(cc1)[*:1]
CCCS(=O)(=O)c1ccc(SC[C@@H](C)CCl)cc1 CCC[*:1] C[C@@H](CCl)CSc1ccc(cc1)S(=O)(=O)[*:1]
CCCS(=O)(=O)c1ccc(SC[C@@H](C)CCl)cc1 C[C@@H](CCl)C[*:1] CCCS(=O)(=O)c1ccc(cc1)S[*:1]
CCCS(=O)(=O)c1ccc(SC[C@@H](C)CCl)cc1 C[C@@H](CCl)[*:1] CCCS(=O)(=O)c1ccc(cc1)SC[*:1]
CCCS(=O)(=O)c1ccc(SC[C@@H](C)CCl)cc1 C[C@@H](CCl)CS[*:1] CCCS(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)CCS(=O)(=O)[*:1]
Cc1ccc([C@@H](C)NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)[*:1]
Cc1cc(N[C@@H](CCO)C(C)C)c2cc(OC(F)F)ccc2[nH+]1 CC(C)[*:1] Cc1cc(N[C@@H](CCO)[*:1])c2cc(ccc2[nH+]1)OC(F)F
Cc1cc(N[C@@H](CCO)C(C)C)c2cc(OC(F)F)ccc2[nH+]1 FC(F)[*:1] Cc1cc(N[C@@H](CCO)C(C)C)c2cc(ccc2[nH+]1)O[*:1]
Cc1cc(N[C@@H](CCO)C(C)C)c2cc(OC(F)F)ccc2[nH+]1 CC(C)[C@H](CCO)[*:1] Cc1cc(N[*:1])c2cc(ccc2[nH+]1)OC(F)F
Cc1cc(N[C@@H](CCO)C(C)C)c2cc(OC(F)F)ccc2[nH+]1 OCC[*:1] Cc1cc(N[C@@H](C(C)C)[*:1])c2cc(ccc2[nH+]1)OC(F)F
Cc1cc(N[C@@H](CCO)C(C)C)c2cc(OC(F)F)ccc2[nH+]1 FC(F)O[*:1] Cc1cc(N[C@@H](CCO)C(C)C)c2cc(ccc2[nH+]1)[*:1]
Cc1ccc([C@@H](C[NH3+])S[C@H](C)CCO)cc1 C[C@H](CCO)[*:1] Cc1ccc(cc1)[C@@H](C[NH3+])S[*:1]
Cc1ccc([C@@H](C[NH3+])S[C@H](C)CCO)cc1 OCC[*:1] Cc1ccc(cc1)[C@@H](C[NH3+])S[C@H](C)[*:1]
O=C(NCCc1ccccc1)NCCc1csc2nc(-c3cccs3)nn12 c1csc(c1)[*:1] O=C(NCCc1ccccc1)NCCc1csc2nc(nn12)[*:1]
O=C(NCCc1ccccc1)NCCc1csc2nc(-c3cccs3)nn12 c1ccc(cc1)CC[*:1] O=C(NCCc1csc2nc(nn12)-c1cccs1)N[*:1]
O=C(NCCc1ccccc1)NCCc1csc2nc(-c3cccs3)nn12 c1ccc(cc1)[*:1] O=C(NCCc1csc2nc(nn12)-c1cccs1)NCC[*:1]
O=C(NCCc1ccccc1)NCCc1csc2nc(-c3cccs3)nn12 c1ccc(cc1)C[*:1] O=C(NCCc1csc2nc(nn12)-c1cccs1)NC[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)C[C@H](NC(N)=O)c1ccccc1F CC(C)(C)[*:1] COc1ccc(cc1NC(=O)C[C@H](NC(N)=O)c1ccccc1F)[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)C[C@H](NC(N)=O)c1ccccc1F NC(=O)N[*:1] COc1ccc(cc1NC(=O)C[C@H](c1ccccc1F)[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1NC(=O)C[C@H](NC(N)=O)c1ccccc1F Fc1ccccc1[*:1] COc1ccc(cc1NC(=O)C[C@H](NC(N)=O)[*:1])C(C)(C)C
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)COc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1 Cc1cccc(C)c1[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)OCC(=O)N[*:1]
C#CCn1/c(=N/S(=O)(=O)c2ccc(F)cc2)sc2cccc(F)c21 C#CC[*:1] O=S(=O)(/N=c1\sc2cccc(F)c2n1[*:1])c1ccc(F)cc1
C#CCn1/c(=N/S(=O)(=O)c2ccc(F)cc2)sc2cccc(F)c21 Fc1ccc(cc1)[*:1] C#CCn1/c(=N/S(=O)(=O)[*:1])sc2cccc(F)c21
COc1ccc([C@H](CNC(=O)c2sc(-c3ccccn3)nc2C)[NH+](C)C)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)c1sc(nc1C)[*:1])[NH+](C)C
COc1ccc([C@H](CNC(=O)c2sc(-c3ccccn3)nc2C)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NC[C@H]([NH+](C)C)[*:1])-c1ccccn1
C[NH+](C)C1(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CCCCCC1 Fc1ccc(cc1)[*:1] C[NH+](C)C1(CCCCCC1)CNC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1nc(C(C)C)sc1C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1nc(sc1C(=O)N(Cc1cccs1)[*:1])C(C)C
Cc1nc(C(C)C)sc1C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 c1csc(c1)C[*:1] Cc1nc(sc1C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1])C(C)C
Cc1nc(C(C)C)sc1C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] Cc1nc(sc1C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1)C(C)C
Cc1nc(C(C)C)sc1C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] Cc1nc(sc1C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1ncc(cc1Cl)C(F)(F)F)[*:1]
Cc1ccc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(=O)CSc1ncc(cc1Cl)[*:1]
Cc1cccc(C2=CCN(C(=O)c3sccc3OC(F)F)CC2)c1 FC(F)O[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)c1sccc1[*:1]
Cc1cccc(C2=CCN(C(=O)c3sccc3OC(F)F)CC2)c1 Cc1cccc(c1)[*:1] O=C(c1sccc1OC(F)F)N1CC=C(CC1)[*:1]
Cc1cccc(C2=CCN(C(=O)c3sccc3OC(F)F)CC2)c1 FC(F)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)c1sccc1O[*:1]
COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)cc1 COc1ccccc1[*:1] O=C(NCc1ccc(cc1)O[*:1])[C@@H]1CCCN1C(=O)C1CCCC1
COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)cc1 COc1ccccc1O[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1CCCN1C(=O)C1CCCC1
COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccccc1Oc1ccc(cc1)CNC(=O)[C@@H]1CCCN1C(=O)[*:1]
C[C@@H](C(=O)Nc1ncccc1OCCCC#N)c1cccs1 N#CCC[*:1] C[C@@H](C(=O)Nc1ncccc1OC[*:1])c1cccs1
C[C@@H](C(=O)Nc1ncccc1OCCCC#N)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)Nc1ncccc1OCCCC#N)[*:1]
C[C@@H](C(=O)Nc1ncccc1OCCCC#N)c1cccs1 N#CC[*:1] C[C@@H](C(=O)Nc1ncccc1OCC[*:1])c1cccs1
C[C@@H](C(=O)Nc1ncccc1OCCCC#N)c1cccs1 N#CCCCO[*:1] C[C@@H](C(=O)Nc1ncccc1[*:1])c1cccs1
C[C@@H](C(=O)Nc1ncccc1OCCCC#N)c1cccs1 N#CCCC[*:1] C[C@@H](C(=O)Nc1ncccc1O[*:1])c1cccs1
C[C@@H](C(=O)Nc1ncccc1OCCCC#N)c1cccs1 C[C@@H](c1cccs1)[*:1] N#CCCCOc1cccnc1NC(=O)[*:1]
O=S1(=O)CC[C@H](Cc2nc(-c3ccccn3)nn2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=S1(=O)CC[C@H](Cc2nc(nn2[*:1])-c2ccccn2)C1
O=S1(=O)CC[C@H](Cc2nc(-c3ccccn3)nn2Cc2ccccc2)C1 c1ccc(nc1)[*:1] O=S1(=O)CC[C@H](Cc2nc(nn2Cc2ccccc2)[*:1])C1
O=S1(=O)CC[C@H](Cc2nc(-c3ccccn3)nn2Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=S1(=O)CC[C@H](Cc2nc(nn2C[*:1])-c2ccccn2)C1
O=C(CNc1cccc(OC2CCCC2)c1)Nc1ccc(F)cc1F C1CCC(C1)[*:1] O=C(CNc1cccc(c1)O[*:1])Nc1ccc(F)cc1F
O=C(CNc1cccc(OC2CCCC2)c1)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CNc1cccc(c1)OC1CCCC1)N[*:1]
O=C(CNc1cccc(OC2CCCC2)c1)Nc1ccc(F)cc1F C1CCC(C1)O[*:1] O=C(CNc1cccc(c1)[*:1])Nc1ccc(F)cc1F
N#C/C(C(=O)c1cnc([C@@H]2CCCO2)s1)=C(/[O-])Nc1ccccc1 c1ccc(cc1)N[*:1] N#C/C(C(=O)c1cnc(s1)[C@@H]1CCCO1)=C(/[O-])[*:1]
N#C/C(C(=O)c1cnc([C@@H]2CCCO2)s1)=C(/[O-])Nc1ccccc1 c1ccc(cc1)[*:1] N#C/C(C(=O)c1cnc(s1)[C@@H]1CCCO1)=C(/[O-])N[*:1]
N#C/C(C(=O)c1cnc([C@@H]2CCCO2)s1)=C(/[O-])Nc1ccccc1 C1CO[C@@H](C1)[*:1] N#C/C(C(=O)c1cnc(s1)[*:1])=C(/[O-])Nc1ccccc1
COC[C@H]1CN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CCO1 COC[*:1] C/C(=C/C(=O)N1CCO[C@H](C1)[*:1])c1ccccc1OC(F)F
COC[C@H]1CN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CCO1 FC(F)O[*:1] COC[C@H]1CN(CCO1)C(=O)/C=C(/C)c1ccccc1[*:1]
COC[C@H]1CN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CCO1 FC(F)[*:1] COC[C@H]1CN(CCO1)C(=O)/C=C(/C)c1ccccc1O[*:1]
Cc1ccc(NC(=O)c2cnn(-c3ccccc3)n2)c(F)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)c2cnn(n2)[*:1])c(F)c1
O=C(/C=C/c1cccs1)c1ccc(NC(=O)c2ccco2)cc1 C(=C[*:1])c1cccs1 O=C(Nc1ccc(cc1)C(=O)[*:1])c1ccco1
O=C(/C=C/c1cccs1)c1ccc(NC(=O)c2ccco2)cc1 c1csc(c1)[*:1] O=C(C=C[*:1])c1ccc(cc1)NC(=O)c1ccco1
O=C(/C=C/c1cccs1)c1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] O=C(/C=C/c1cccs1)c1ccc(cc1)NC(=O)[*:1]
O=C(Cc1ccc(F)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F Fc1ccc(cc1)C[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F)[*:1]
O=C(Cc1ccc(F)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F Fc1ccc(cc1)[*:1] O=C(C[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F
O=C(Cc1ccc(F)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(Cc1ccc(F)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
C[C@@H](C(=O)[O-])[C@@H](C)C(=O)c1ccc(Br)cc1 O=C([O-])[*:1] C[C@@H](C(=O)c1ccc(Br)cc1)[C@H](C)[*:1]
O=C(Nc1ccccc1)N1CCOc2ccc(COCc3ccc(F)cc3)cc2C1 Fc1ccc(cc1)COC[*:1] O=C(Nc1ccccc1)N1CCOc2ccc(cc2C1)[*:1]
O=C(Nc1ccccc1)N1CCOc2ccc(COCc3ccc(F)cc3)cc2C1 Fc1ccc(cc1)CO[*:1] O=C(Nc1ccccc1)N1CCOc2ccc(cc2C1)C[*:1]
O=C(Nc1ccccc1)N1CCOc2ccc(COCc3ccc(F)cc3)cc2C1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1)N1CCOc2ccc(cc2C1)COC[*:1]
O=C(Nc1ccccc1)N1CCOc2ccc(COCc3ccc(F)cc3)cc2C1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccccc1)N1CCOc2ccc(cc2C1)CO[*:1]
O=C(Nc1ccccc1)N1CCOc2ccc(COCc3ccc(F)cc3)cc2C1 c1ccc(cc1)[*:1] O=C(N[*:1])N1CCOc2ccc(cc2C1)COCc1ccc(F)cc1
[NH3+][C@H](CNC(=O)Cc1ccc(F)cc1F)c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@H](CNC(=O)Cc1ccc(F)cc1F)[*:1]
Cc1ccc2nc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)cc(=O)n2c1 c1cc2OCOc2cc1[*:1] Cc1ccc2nc(cc(=O)n2c1)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1cnc2c(c1)[nH]c(=S)n2CC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] Cc1cnc2c(c1)[nH]c(=S)n2CC(C)(C)[*:1]
CCCCS[C@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 CC(C)[*:1] CCCCS[C@H]1CCC[C@](CO)(C1)[NH2+][*:1]
CCCCS[C@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 CCC[*:1] CC(C)[NH2+][C@]1(CO)CCC[C@@H](C1)SC[*:1]
CCCCS[C@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 CCCC[*:1] CC(C)[NH2+][C@]1(CO)CCC[C@@H](C1)S[*:1]
CCCCS[C@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 CCCCS[*:1] CC(C)[NH2+][C@]1(CO)CCC[C@@H](C1)[*:1]
COc1ccc(-c2nc(CN3CCNC(=O)C3)c(C)o2)c2ccccc12 O=C1CN(CCN1)[*:1] COc1ccc(-c2nc(C[*:1])c(C)o2)c2ccccc12
COc1ccc(-c2nc(CN3CCNC(=O)C3)c(C)o2)c2ccccc12 O=C1CN(CCN1)C[*:1] COc1ccc(-c2nc(c(C)o2)[*:1])c2ccccc12
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)[*:1]
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)N(C)c1ccccc1
O=C(C[NH2+]C[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(C[NH2+]C[C@@H]1CCCO1)Nc1cccc(c1)[*:1]
O=C(Cc1ccc(N2CCCC2=O)cc1)Nn1cnc2ccccc2c1=O O=C1CCCN1[*:1] O=C(Cc1ccc(cc1)[*:1])Nn1cnc2ccccc2c1=O
CC(C)c1noc(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1 CC(C)[*:1] C[C@@H]1CCC[C@@H](NC(=O)CCc2nc(no2)[*:1])[C@@H]1C
CCn1nc(C)c(Cl)c1C[NH2+]CC1(C)COC1 CC1(COC1)[*:1] CCn1nc(C)c(Cl)c1C[NH2+]C[*:1]
O=C(Nc1cc(Cl)ccc1Cl)[C@H](Cl)C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cc(Cl)ccc1Cl)[C@H](Cl)C(=O)[*:1]
COC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2 O=[N+]([O-])[*:1] COC(=O)c1c(/N=C/c2cc(ccc2Cl)[*:1])sc2CCCc21
COC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2 COC(=O)[*:1] O=[N+]([O-])c1ccc(Cl)c(/C=N/c2sc3CCCc3c2[*:1])c1
NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1ccnc3ccccc13)CC2 NC(=O)[*:1] O=C1CCC2(CC[NH+](CC2)Cc2ccnc3ccccc23)CN1C[*:1]
NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1ccnc3ccccc13)CC2 NC(=O)C[*:1] O=C1CCC2(CC[NH+](CC2)Cc2ccnc3ccccc23)CN1[*:1]
C#CCNCC(=O)N[C@@H](C)Cc1ccsc1 C#CCNC[*:1] C[C@@H](Cc1ccsc1)NC(=O)[*:1]
C#CCNCC(=O)N[C@@H](C)Cc1ccsc1 C#CCN[*:1] C[C@@H](Cc1ccsc1)NC(=O)C[*:1]
C#CCNCC(=O)N[C@@H](C)Cc1ccsc1 c1cc(cs1)[*:1] C#CCNCC(=O)N[C@@H](C)C[*:1]
C#CCNCC(=O)N[C@@H](C)Cc1ccsc1 C#CC[*:1] C[C@@H](Cc1ccsc1)NC(=O)CN[*:1]
CCOC(=O)NCCCn1c(C)cc2ccccc21 CCOC(=O)N[*:1] Cc1cc2ccccc2n1CCC[*:1]
COC1CC[NH+](CCNC(=O)NCC(C)(C)c2ccncc2)CC1 c1cc(ccn1)[*:1] COC1CC[NH+](CCNC(=O)NCC(C)(C)[*:1])CC1
Nc1nnc(SCn2nnc3ccccc3c2=O)s1 Nc1nnc(s1)[*:1] O=c1c2ccccc2nnn1CS[*:1]
Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1C Cc1cccc(c1C)[*:1] O=C(CNC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)cc1)N[*:1]
Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(NC(=O)CNC(=O)c2ccc(cc2)S(=O)(=O)N[*:1])c1C
C=CCN1CC2(CCC1=O)CCN(C(=O)CCc1cccnc1)CC2 C=CC[*:1] O=C(CCc1cccnc1)N1CCC2(CCC(=O)N(C2)[*:1])CC1
C=CCN1CC2(CCC1=O)CCN(C(=O)CCc1cccnc1)CC2 c1cncc(c1)C[*:1] C=CCN1CC2(CCC1=O)CCN(CC2)C(=O)C[*:1]
C=CCN1CC2(CCC1=O)CCN(C(=O)CCc1cccnc1)CC2 c1cncc(c1)[*:1] C=CCN1CC2(CCC1=O)CCN(CC2)C(=O)CC[*:1]
C=CCN1CC2(CCC1=O)CCN(C(=O)CCc1cccnc1)CC2 c1cncc(c1)CC[*:1] C=CCN1CC2(CCC1=O)CCN(CC2)C(=O)[*:1]
CCOc1ccc(S(=O)(=O)NCCC2=c3cc(F)ccc3=[NH+][C@H]2C)c2ccccc12 CCO[*:1] C[C@@H]1[NH+]=c2ccc(F)cc2=C1CCNS(=O)(=O)c1ccc(c2ccccc12)[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Cn1nc2ccccn2c1=O COC(=O)[*:1] O=C(Cn1nc2ccccn2c1=O)N[C@H]1CCCCC[C@@H]1[*:1]
COCCNC(=O)CN(C)C(=O)CN1CCC([NH3+])CC1 COC[*:1] CN(CC(=O)NC[*:1])C(=O)CN1CCC([NH3+])CC1
COCCNC(=O)CN(C)C(=O)CN1CCC([NH3+])CC1 COCC[*:1] CN(CC(=O)N[*:1])C(=O)CN1CCC([NH3+])CC1
Cc1noc([C@@H](C)OC(=O)c2sc(-c3nc[nH]n3)nc2C)n1 Cc1noc(n1)[*:1] Cc1nc(sc1C(=O)O[C@H](C)[*:1])-c1nc[nH]n1
Cc1noc([C@@H](C)OC(=O)c2sc(-c3nc[nH]n3)nc2C)n1 c1nc(n[nH]1)[*:1] Cc1noc(n1)[C@@H](C)OC(=O)c1sc(nc1C)[*:1]
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC#Cc2ccccc2)c1 C(#C[*:1])c1ccccc1 CC(=O)Nc1cc(cc(c1)C(=O)OC[*:1])NC(C)=O
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC#Cc2ccccc2)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)OCC#Cc1ccccc1
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC#Cc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cc(cc(c1)C(=O)OCC#C[*:1])NC(C)=O
CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(Cc1nc2CCCCc2s1)C(=O)[C@@H]1CCN(C1=O)[*:1]
C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)COc1ccc(cc1)[*:1])c1ccc(Br)cc1
C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)COc1ccc(cc1)C(F)(F)F)[*:1]
Cc1c[nH]nc1[C@H]1CCCCN1C(=O)c1ccnn1C(C)C CC(C)[*:1] Cc1c[nH]nc1[C@H]1CCCCN1C(=O)c1ccnn1[*:1]
Cc1c[nH]nc1[C@H]1CCCCN1C(=O)c1ccnn1C(C)C Cc1c[nH]nc1[*:1] CC(C)n1nccc1C(=O)N1CCCC[C@@H]1[*:1]
CCCNC(=O)CNC(=O)COc1ccc(Cl)cc1Cl CCCNC(=O)[*:1] O=C(COc1ccc(Cl)cc1Cl)NC[*:1]
CCCNC(=O)CNC(=O)COc1ccc(Cl)cc1Cl CCC[*:1] O=C(COc1ccc(Cl)cc1Cl)NCC(=O)N[*:1]
Cc1ccc(C)c(OCCSC[C@H](O)CO)c1 OC[C@@H](O)[*:1] Cc1ccc(C)c(c1)OCCSC[*:1]
Cc1ccc(C)c(OCCSC[C@H](O)CO)c1 OC[C@@H](O)C[*:1] Cc1ccc(C)c(c1)OCCS[*:1]
O=[N+]([O-])c1ccc2c3c(sc2c1)S(=O)(=O)c1ccccc1-3 O=[N+]([O-])[*:1] O=S1(=O)c2ccccc2-c2c1sc1cc(ccc21)[*:1]
CC[C@H](NC(=O)c1cc(C#N)cn1C)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)c1cc(C#N)cn1C)[*:1]
Cc1cc(C)c(CNc2nc(-c3cccs3)nc3sc(C)c(C)c23)c(=O)[nH]1 c1csc(c1)[*:1] Cc1cc(C)c(CNc2nc(nc3sc(C)c(C)c23)[*:1])c(=O)[nH]1
Cc1cc(C)c(CNc2nc(-c3cccs3)nc3sc(C)c(C)c23)c(=O)[nH]1 Cc1cc(C)c(c(=O)[nH]1)[*:1] Cc1sc2nc(nc(NC[*:1])c2c1C)-c1cccs1
CNS(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1F CNS(=O)(=O)[*:1] O=C(Nc1c(F)cccc1F)c1ccc(F)c(c1)[*:1]
CSC1(CNC(=O)N(C)CC2CCC2)CCOCC1 C1CC(C1)C[*:1] CSC1(CCOCC1)CNC(=O)N(C)[*:1]
CSC1(CNC(=O)N(C)CC2CCC2)CCOCC1 C1CC(C1)[*:1] CSC1(CCOCC1)CNC(=O)N(C)C[*:1]
CN(C(=O)CSc1nnc(-c2ccccc2Cl)o1)[C@@H]1CCCc2ccccc21 Clc1ccccc1[*:1] CN(C(=O)CSc1nnc(o1)[*:1])[C@@H]1CCCc2ccccc21
CCOC(=O)NCCC(=O)N[C@H]1CCc2c(O)cccc21 CCOC(=O)NC[*:1] O=C(C[*:1])N[C@H]1CCc2c(O)cccc21
CCOC(=O)NCCC(=O)N[C@H]1CCc2c(O)cccc21 CCOC(=O)N[*:1] O=C(CC[*:1])N[C@H]1CCc2c(O)cccc21
COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1F Cc1ccc(c(F)c1)[*:1] COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)N[*:1]
O=C(Nc1cccc(N2CCOC2=O)c1)[C@@H]1C[C@@H]2C=C[C@H]1C2 O=C1OCCN1[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1C[C@@H]2C=C[C@H]1C2
CC1=C([C@H](c2cccc([N+](=O)[O-])c2)c2c(C)n[nH]c2[O-])[C@@H](O)N=N1 O=[N+]([O-])[*:1] CC1N=N[C@H](O)C=1[C@H](c1cccc(c1)[*:1])c1c(C)n[nH]c1[O-]
CC[n+]1ccc(-c2ncc(-c3ccc(C(C)(C)C)cc3)o2)cc1 CC(C)(C)[*:1] CC[n+]1ccc(cc1)-c1ncc(o1)-c1ccc(cc1)[*:1]
CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 c1ccc(cc1)[*:1] CN(C(=O)c1ccn(C)n1)[C@H](C[*:1])C1CCN(CC1)C(=O)C1=CCCC1
CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 CN(C(=O)c1ccn(C)n1)[*:1] O=C(C1=CCCC1)N1CCC(CC1)[C@@H](Cc1ccccc1)[*:1]
CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccn(C)n1)[C@H](C1CCN(CC1)C(=O)C1=CCCC1)[*:1]
CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 Cn1ccc(n1)[*:1] CN(C(=O)[*:1])[C@H](Cc1ccccc1)C1CCN(CC1)C(=O)C1=CCCC1
O=C(NCc1cccnc1)c1ccc2c([O-])nc3c(-c4ccc(Cl)cc4)nnn3c2c1 c1cncc(c1)[*:1] O=C(NC[*:1])c1ccc2c([O-])nc3c(nnn3c2c1)-c1ccc(Cl)cc1
O=C(NCc1cccnc1)c1ccc2c([O-])nc3c(-c4ccc(Cl)cc4)nnn3c2c1 O=C(NCc1cccnc1)[*:1] [O-]c1nc2c(nnn2c2cc(ccc12)[*:1])-c1ccc(Cl)cc1
O=C(NCc1cccnc1)c1ccc2c([O-])nc3c(-c4ccc(Cl)cc4)nnn3c2c1 Clc1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1ccc2c([O-])nc3c(nnn3c2c1)[*:1]
O=C(NCc1cccnc1)c1ccc2c([O-])nc3c(-c4ccc(Cl)cc4)nnn3c2c1 c1cncc(c1)C[*:1] O=C(N[*:1])c1ccc2c([O-])nc3c(nnn3c2c1)-c1ccc(Cl)cc1
Cc1cc(C[NH+]2CCC(CNS(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)o1 Cc1cc(C[*:1])c(C)o1 Cc1ccc(cc1C)S(=O)(=O)NCC1CC[NH+](CC1)[*:1]
Cc1cc(C[NH+]2CCC(CNS(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)o1 Cc1ccc(cc1C)[*:1] Cc1cc(C[NH+]2CCC(CC2)CNS(=O)(=O)[*:1])c(C)o1
Cc1cc(C[NH+]2CCC(CNS(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1ccc(cc1C)S(=O)(=O)NCC1CC[NH+](CC1)C[*:1]
COc1ccc(-c2nc3cc(C4=NNC(=O)[C@H](C)C4)ccc3[nH]2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CC(=NNC1=O)c1ccc2[nH]c(nc2c1)[*:1]
C=CCOCCCC(=O)N1CCc2cc(F)ccc2[C@@H]1C C=CC[*:1] C[C@H]1c2ccc(F)cc2CCN1C(=O)CCCO[*:1]
C=CCOCCCC(=O)N1CCc2cc(F)ccc2[C@@H]1C C=CCOC[*:1] C[C@H]1c2ccc(F)cc2CCN1C(=O)CC[*:1]
C=CCOCCCC(=O)N1CCc2cc(F)ccc2[C@@H]1C C=CCO[*:1] C[C@H]1c2ccc(F)cc2CCN1C(=O)CCC[*:1]
C=CCOCCCC(=O)N1CCc2cc(F)ccc2[C@@H]1C C=CCOCCC[*:1] C[C@H]1c2ccc(F)cc2CCN1C(=O)[*:1]
C=CCOCCCC(=O)N1CCc2cc(F)ccc2[C@@H]1C C=CCOCC[*:1] C[C@H]1c2ccc(F)cc2CCN1C(=O)C[*:1]
Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])Nc1nc(cs1)-c1ccc2CCCCc2c1
CCCCCSc1nnc([O-])[nH]c1=O CCCC[*:1] O=c1[nH]c([O-])nnc1SC[*:1]
CCCCCSc1nnc([O-])[nH]c1=O CCC[*:1] O=c1[nH]c([O-])nnc1SCC[*:1]
CCCn1c(C)cc(-c2csc(NC(=O)c3scnc3C)n2)c1C Cc1ncsc1[*:1] CCCn1c(C)cc(-c2csc(n2)NC(=O)[*:1])c1C
CCCn1c(C)cc(-c2csc(NC(=O)c3scnc3C)n2)c1C CCC[*:1] Cc1ncsc1C(=O)Nc1nc(cs1)-c1cc(C)n(c1C)[*:1]
Cc1ccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cn1 Cc1ccc(cn1)[*:1] O=C(Nc1ccc2nc([nH]c2c1)[C@H]1CCCO1)[*:1]
O=S(=O)(c1cc(Cl)c(Cl)s1)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 Clc1cc(sc1Cl)[*:1] O=S(=O)(N1CCN(CC1)c1cc(cc[nH+]1)C(F)(F)F)[*:1]
O=S(=O)(c1cc(Cl)c(Cl)s1)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 FC(F)(F)[*:1] O=S(=O)(c1cc(Cl)c(Cl)s1)N1CCN(CC1)c1cc(cc[nH+]1)[*:1]
C=C(C)C[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1 C=C(C)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])N1CCCc2ccccc21
CC[C@H](NC(=O)N(CCC(C)C)C1CC1)c1c(C)nn(C)c1C C1CC1[*:1] CC[C@H](NC(=O)N(CCC(C)C)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)N(CCC(C)C)C1CC1)c1c(C)nn(C)c1C CC(C)CC[*:1] CC[C@H](NC(=O)N(C1CC1)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)N(CCC(C)C)C1CC1)c1c(C)nn(C)c1C CC(C)C[*:1] CC[C@H](NC(=O)N(C[*:1])C1CC1)c1c(C)nn(C)c1C
CC[C@H](NC(=O)N(CCC(C)C)C1CC1)c1c(C)nn(C)c1C CC(C)[*:1] CC[C@H](NC(=O)N(CC[*:1])C1CC1)c1c(C)nn(C)c1C
COc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)N1CCC[C@@H]1[*:1]
COc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])N1CCC[C@H]1c1ccc(F)cc1
O=S(=O)(NCc1ccccc1)N[C@@H]1CCc2cccnc21 c1ccc(cc1)C[*:1] O=S(=O)(N[C@@H]1CCc2cccnc21)N[*:1]
O=S(=O)(NCc1ccccc1)N[C@@H]1CCc2cccnc21 c1ccc(cc1)[*:1] O=S(=O)(NC[*:1])N[C@@H]1CCc2cccnc21
CCOc1c(OC)cc(CN2CCOC[C@H]2C#N)cc1OC CCO[*:1] COc1cc(cc(OC)c1[*:1])CN1CCOC[C@H]1C#N
CCOc1ccc(CN(C)C(=O)Nc2ccccc2CS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCOc1ccc(cc1)CN(C)C(=O)Nc1ccccc1C[*:1]
CCOc1ccc(CN(C)C(=O)Nc2ccccc2CS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] CCOc1ccc(cc1)CN(C)C(=O)Nc1ccccc1[*:1]
CCOc1ccc(CN(C)C(=O)Nc2ccccc2CS(C)(=O)=O)cc1 CCO[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)Nc1ccccc1CS(C)(=O)=O
COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] COc1ccc(cc1NC(=O)[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(C)c1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)c1cccc(C)c1)[*:1]
C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] C[C@@H]1CCCCN1c1ccc(cc1)NC(=S)NC(=O)[*:1]
C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccco2)cc1 C[C@@H]1CCCCN1[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1ccco1
O=C([O-])c1cc(C2CC2)nc2c(-c3ccc(Cl)cc3)cnn12 C1CC1[*:1] O=C([O-])c1cc(nc2c(cnn12)-c1ccc(Cl)cc1)[*:1]
O=C([O-])c1cc(C2CC2)nc2c(-c3ccc(Cl)cc3)cnn12 O=C([O-])[*:1] Clc1ccc(cc1)-c1cnn2c(cc(nc12)C1CC1)[*:1]
O=C([O-])c1cc(C2CC2)nc2c(-c3ccc(Cl)cc3)cnn12 Clc1ccc(cc1)[*:1] O=C([O-])c1cc(nc2c(cnn12)[*:1])C1CC1
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](c1ccccc1)C(C)(C)C c1ccc(cc1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N[C@@H](C(C)(C)C)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](c1ccccc1)C(C)(C)C CC(C)(C)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N[C@@H](c1ccccc1)[*:1]
CNC(=S)NNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C Fc1ccc(cc1)[*:1] CNC(=S)NNC(=O)[C@@H](NC(=O)[*:1])C(C)C
CNC(=S)NNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C CC(C)[*:1] CNC(=S)NNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)[*:1]
CCO[C@@H](C)c1noc(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)n1 CCO[*:1] C[C@@H](c1noc(CN2CC[NH+](CC2)[C@H]2CCCc3ccccc32)n1)[*:1]
CCO[C@@H](C)c1noc(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)n1 CCO[C@@H](C)[*:1] c1ccc2c(c1)CCC[C@@H]2[NH+]1CCN(CC1)Cc1nc(no1)[*:1]
CC(=O)Oc1ccc(C(=O)c2cccc(C)c2)cc1 CC(=O)O[*:1] Cc1cccc(c1)C(=O)c1ccc(cc1)[*:1]
COC(=O)[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C(C)C FC(F)(F)[*:1] COC(=O)[C@@H](NC(=O)Cn1ccc(n1)[*:1])C(C)C
COC(=O)[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C(C)C CC(C)[*:1] COC(=O)[C@@H](NC(=O)Cn1ccc(n1)C(F)(F)F)[*:1]
COC(=O)[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C(C)C COC(=O)[*:1] CC(C)[C@H](NC(=O)Cn1ccc(n1)C(F)(F)F)[*:1]
O=c1cc([O-])c2sc3nc4c(c(-c5cccnc5)c3c2[nH]1)CCCC4 c1cncc(c1)[*:1] O=c1cc([O-])c2sc3nc4CCCCc4c(c3c2[nH]1)[*:1]
CCOC[C@@H](C)NC(=O)c1n[nH]c(C(C)C)n1 CC(C)[*:1] CCOC[C@@H](C)NC(=O)c1n[nH]c(n1)[*:1]
CCOC[C@@H](C)NC(=O)c1n[nH]c(C(C)C)n1 CCO[*:1] CC(C)c1nc(n[nH]1)C(=O)N[C@H](C)C[*:1]
CCOC[C@@H](C)NC(=O)c1n[nH]c(C(C)C)n1 CCOC[*:1] CC(C)c1nc(n[nH]1)C(=O)N[C@H](C)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCN4CCOCC4)[C@H]3c3ccco3)ccc2O1 C1CN(CCO1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccco1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCN4CCOCC4)[C@H]3c3ccco3)ccc2O1 C1CN(CCO1)C[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccco1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCN4CCOCC4)[C@H]3c3ccco3)ccc2O1 C[C@H]1Cc2cc(ccc2O1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccco2)N1CCN1CCOCC1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCN4CCOCC4)[C@H]3c3ccco3)ccc2O1 C1CN(CCO1)CC[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccco1)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCN4CCOCC4)[C@H]3c3ccco3)ccc2O1 c1coc(c1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1[*:1]
CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H]2C(=O)[O-] O=C([O-])[*:1] CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@H]2[*:1]
CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H]2C(=O)[O-] Cc1cc(C)cc(c1)[*:1] CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)N[*:1])[C@@H]2C(=O)[O-]
CC[C@@H]([NH2+][C@@H]1C[C@H](c2ccccc2)Oc2ccccc21)c1c(C)noc1C c1ccc(cc1)[*:1] CC[C@@H]([NH2+][C@@H]1C[C@H](Oc2ccccc21)[*:1])c1c(C)noc1C
CC[C@@H]([NH2+][C@@H]1C[C@H](c2ccccc2)Oc2ccccc21)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H]([NH2+][C@@H]1C[C@@H](Oc2ccccc21)c1ccccc1)[*:1]
O=C(NCCCN1CCOCC1)C1CCN(C2=NC(Cl)=NC3=NC=N[C@@H]32)CC1 C1CN(CCO1)CC[*:1] O=C(NC[*:1])C1CCN(CC1)C1=NC(Cl)=NC2=NC=N[C@@H]21
O=C(NCCCN1CCOCC1)C1CCN(C2=NC(Cl)=NC3=NC=N[C@@H]32)CC1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])C1CCN(CC1)C1=NC(Cl)=NC2=NC=N[C@@H]21
O=C(NCCCN1CCOCC1)C1CCN(C2=NC(Cl)=NC3=NC=N[C@@H]32)CC1 C(CN1CCOCC1)C[*:1] O=C(N[*:1])C1CCN(CC1)C1=NC(Cl)=NC2=NC=N[C@@H]21
O=C(NCCCN1CCOCC1)C1CCN(C2=NC(Cl)=NC3=NC=N[C@@H]32)CC1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])C1CCN(CC1)C1=NC(Cl)=NC2=NC=N[C@@H]21
CC(=O)Nc1ccc(Cl)c(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 CC(=O)N[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Nc1cc(ccc1Cl)[*:1]
CCOC(=O)Cc1csc(NC(=O)c2cc(-c3cccs3)[nH]n2)n1 CCOC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])c1cc([nH]n1)-c1cccs1
CCOC(=O)Cc1csc(NC(=O)c2cc(-c3cccs3)[nH]n2)n1 c1csc(c1)[*:1] CCOC(=O)Cc1csc(n1)NC(=O)c1cc([nH]n1)[*:1]
CCOC(=O)Cc1csc(NC(=O)c2cc(-c3cccs3)[nH]n2)n1 CCOC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])c1cc([nH]n1)-c1cccs1
CCc1nn(C)cc1CNC(=O)c1cc(C)nc2ccc(OC)cc12 CCc1nn(C)cc1[*:1] COc1ccc2nc(C)cc(C(=O)NC[*:1])c2c1
CCOc1ccc(CNC(=O)c2cc(-c3cccnc3)[nH]n2)cc1OC c1cncc(c1)[*:1] CCOc1ccc(cc1OC)CNC(=O)c1cc([nH]n1)[*:1]
CCOc1ccc(CNC(=O)c2cc(-c3cccnc3)[nH]n2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CNC(=O)c1cc([nH]n1)-c1cccnc1
COCc1nc(C)cc(NCC(C)(C)c2ccccc2F)n1 COC[*:1] Cc1cc(nc(n1)[*:1])NCC(C)(C)c1ccccc1F
COCc1nc(C)cc(NCC(C)(C)c2ccccc2F)n1 Fc1ccccc1[*:1] COCc1nc(C)cc(n1)NCC(C)(C)[*:1]
COc1ccc(C2=N/C(=C\c3cccc(OCc4ccccc4)c3)C(=O)O2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1=N/C(=C\c2cccc(c2)OC[*:1])C(=O)O1
COc1ccc(C2=N/C(=C\c3cccc(OCc4ccccc4)c3)C(=O)O2)cc1 COc1ccc(cc1)[*:1] O=C1OC(=N/C1=C\c1cccc(c1)OCc1ccccc1)[*:1]
COc1ccc(C2=N/C(=C\c3cccc(OCc4ccccc4)c3)C(=O)O2)cc1 c1ccc(cc1)CO[*:1] COc1ccc(cc1)C1=N/C(=C\c2cccc(c2)[*:1])C(=O)O1
COc1ccc(C2=N/C(=C\c3cccc(OCc4ccccc4)c3)C(=O)O2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C1=N/C(=C\c2cccc(c2)O[*:1])C(=O)O1
O=C([C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccccc1)N1CCCC1 C1CC1[*:1] O=C([C@@H](Sc1nnc(-c2ccncc2)n1[*:1])c1ccccc1)N1CCCC1
O=C([C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccccc1)N1CCCC1 c1cc(ccn1)[*:1] O=C([C@@H](Sc1nnc(n1C1CC1)[*:1])c1ccccc1)N1CCCC1
O=C([C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccccc1)N1CCCC1 O=C(N1CCCC1)[*:1] c1ccc(cc1)[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)[*:1]
O=C([C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] O=C([C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)[*:1])N1CCCC1
C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCN(Cc3ccncc3)CC2)C1 c1cc(ccn1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CCN(CC1)C[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCN(Cc3ccncc3)CC2)C1 c1cc(ccn1)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CCN(CC1)[*:1]
C[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Cc1ccc(cc1)-n1cccc1)[*:1]
C[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1 c1ccn(c1)[*:1] C[C@@H](NC(=O)Cc1ccc(cc1)[*:1])c1ccccc1
O=C(CCC(F)(F)F)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(CCC(F)(F)F)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
O=C(CCC(F)(F)F)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 FC(F)(F)[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)c1[nH+]ccn1Cc1ccccn1
O=C(CCC(F)(F)F)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 c1ccc(C[*:1])nc1 O=C(CCC(F)(F)F)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
O=C(CCC(F)(F)F)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 FC(F)(F)C[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1[nH+]ccn1Cc1ccccn1
O=C(CCC(F)(F)F)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 FC(F)(F)CC[*:1] O=C(N1CCC[C@@H](C1)c1[nH+]ccn1Cc1ccccn1)[*:1]
COCCCC(=O)N1CCC(OC)CC1 COCC[*:1] COC1CCN(CC1)C(=O)C[*:1]
COCCCC(=O)N1CCC(OC)CC1 COC[*:1] COC1CCN(CC1)C(=O)CC[*:1]
COCCCC(=O)N1CCC(OC)CC1 COCCC[*:1] COC1CCN(CC1)C(=O)[*:1]
Cc1cccc(C)c1Nc1noc2c1CN(C(=O)CC[C@H]1NC(=O)NC1=O)CC2 Cc1cccc(C)c1[*:1] O=C1NC(=O)[C@@H](CCC(=O)N2CCc3onc(N[*:1])c3C2)N1
Cc1cccc(C)c1Nc1noc2c1CN(C(=O)CC[C@H]1NC(=O)NC1=O)CC2 Cc1cccc(C)c1N[*:1] O=C1NC(=O)[C@@H](CCC(=O)N2CCc3onc(c3C2)[*:1])N1
COc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1OC CS(=O)(=O)C[*:1] COc1ccc(cc1OC)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1OC CS(=O)(=O)[*:1] COc1ccc(cc1OC)NC(=O)c1ccc(cc1)C[*:1]
N#C[C@H](COC(=O)c1cccc(Br)c1)Cc1cccs1 c1csc(c1)C[*:1] N#C[C@H](COC(=O)c1cccc(Br)c1)[*:1]
N#C[C@H](COC(=O)c1cccc(Br)c1)Cc1cccs1 c1csc(c1)[*:1] N#C[C@H](COC(=O)c1cccc(Br)c1)C[*:1]
N#CCCN(C[C@H]1CCOC1)Cn1ccc(-c2ccsc2)n1 C1C[C@@H](CO1)[*:1] N#CCCN(Cn1ccc(n1)-c1ccsc1)C[*:1]
N#CCCN(C[C@H]1CCOC1)Cn1ccc(-c2ccsc2)n1 c1cc(cs1)[*:1] N#CCCN(C[C@H]1CCOC1)Cn1ccc(n1)[*:1]
N#CCCN(C[C@H]1CCOC1)Cn1ccc(-c2ccsc2)n1 N#CC[*:1] c1cc(cs1)-c1ccn(CN(C[C@H]2CCOC2)C[*:1])n1
N#CCCN(C[C@H]1CCOC1)Cn1ccc(-c2ccsc2)n1 C1C[C@@H](CO1)C[*:1] N#CCCN(Cn1ccc(n1)-c1ccsc1)[*:1]
N#CCCN(C[C@H]1CCOC1)Cn1ccc(-c2ccsc2)n1 N#CCC[*:1] c1cc(cs1)-c1ccn(CN(C[C@H]2CCOC2)[*:1])n1
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(F)c1 Clc1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@@H]2CCCN(C2)C(=O)[*:1])c(F)c1
CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)Cn1ccnc1
CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 c1cn(cn1)C[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 c1cn(cn1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccc(cc1)C[*:1]
CCSCC[C@@H](C)N(C)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1 CCS[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N(C)[C@H](C)CC[*:1]
CCSCC[C@@H](C)N(C)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1 CCSC[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N(C)[C@H](C)C[*:1]
CCSCC[C@@H](C)N(C)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1 Cc1ccc(cc1)[*:1] CCSCC[C@@H](C)N(C)C(=O)c1cc(=O)n([nH]1)[*:1]
CCSCC[C@@H](C)N(C)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1 CCSCC[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N(C)[C@H](C)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)Nc2ccc3oc(COC)nc3c2)CC1=O CCC[C@H](C)[*:1] COCc1nc2cc(ccc2o1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)Nc2ccc3oc(COC)nc3c2)CC1=O COC[*:1] CCC[C@H](C)N1C[C@H](CC1=O)C(=O)Nc1ccc2oc(nc2c1)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)Nc2ccc3oc(COC)nc3c2)CC1=O CCC[*:1] COCc1nc2cc(ccc2o1)NC(=O)[C@H]1CC(=O)N(C1)[C@@H](C)[*:1]
Cn1cnc(S(=O)(=O)Oc2ccc(Cl)cc2Br)c1 Cn1cnc(c1)[*:1] O=S(=O)(Oc1ccc(Cl)cc1Br)[*:1]
C[C@@H](C(=O)NC(c1cccs1)c1cccs1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)NC(c1cccs1)c1cccs1)[*:1]
C[C@@H](C(=O)NC(c1cccs1)c1cccs1)n1cccn1 C[C@@H](n1cccn1)[*:1] O=C(NC(c1cccs1)c1cccs1)[*:1]
C[C@@H](C(=O)NC(c1cccs1)c1cccs1)n1cccn1 c1csc(c1)[*:1] C[C@@H](C(=O)NC(c1cccs1)[*:1])n1cccn1
Cc1cccc(C(C)(C)CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)NCC(C)(C)[*:1])C[NH+]1CCN(C)CC1
CCN[C@@]1(C#N)CC[C@@H](n2nc(C)c(CC)c2C)C1 CCN[*:1] CCc1c(C)nn(c1C)[C@@H]1CC[C@](C#N)(C1)[*:1]
CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccco2)nc1[O-] O=C(N[*:1])c1ccco1 CCc1c(C)nc(nc1[O-])-n1nc(C)cc1[*:1]
CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccco2)nc1[O-] c1coc(c1)[*:1] CCc1c(C)nc(nc1[O-])-n1nc(C)cc1NC(=O)[*:1]
Cc1cc(C)c(NC(=O)C[NH+](CCC#N)CC2CC2)c(C)c1 C1CC1[*:1] Cc1cc(C)c(NC(=O)C[NH+](CCC#N)C[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C[NH+](CCC#N)CC2CC2)c(C)c1 N#CC[*:1] Cc1cc(C)c(NC(=O)C[NH+](CC2CC2)C[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C[NH+](CCC#N)CC2CC2)c(C)c1 C1CC1C[*:1] Cc1cc(C)c(NC(=O)C[NH+](CCC#N)[*:1])c(C)c1
CCCN(C(=O)C1CC=CC1)[C@@H]1CCc2ccccc2C1 CCC[*:1] O=C(C1CC=CC1)N([C@@H]1CCc2ccccc2C1)[*:1]
CC1(C)CN(CC(=O)NC(=O)NCc2ccccc2)CCS1 c1ccc(cc1)C[*:1] CC1(C)CN(CCS1)CC(=O)NC(=O)N[*:1]
CC1(C)CN(CC(=O)NC(=O)NCc2ccccc2)CCS1 c1ccc(cc1)[*:1] CC1(C)CN(CCS1)CC(=O)NC(=O)NC[*:1]
CCCc1nnc2sc(-c3cccc(NC(=O)c4cc(OC)cc(OC)c4)c3)nn12 CCC[*:1] COc1cc(cc(c1)C(=O)Nc1cccc(c1)-c1nn2c(nnc2s1)[*:1])OC
CCCc1nnc2sc(-c3cccc(NC(=O)c4cc(OC)cc(OC)c4)c3)nn12 COc1cc(cc(c1)[*:1])OC CCCc1nnc2sc(nn12)-c1cccc(c1)NC(=O)[*:1]
COc1cccc(-c2ocnc2C(=O)NCc2cccc(Br)c2)c1 Brc1cccc(c1)C[*:1] COc1cccc(c1)-c1ocnc1C(=O)N[*:1]
COc1cccc(-c2ocnc2C(=O)NCc2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] COc1cccc(c1)-c1ocnc1C(=O)NC[*:1]
COc1cccc(-c2ocnc2C(=O)NCc2cccc(Br)c2)c1 COc1cccc(c1)[*:1] O=C(NCc1cccc(Br)c1)c1ncoc1[*:1]
Cc1cccc(N2C(=O)C(Cl)=C(N[C@@H](C)c3ccccc3)C2=O)c1C Cc1cccc(c1C)[*:1] C[C@H](NC1C(=O)N(C(=O)C=1Cl)[*:1])c1ccccc1
Cc1cccc(N2C(=O)C(Cl)=C(N[C@@H](C)c3ccccc3)C2=O)c1C C[C@@H](c1ccccc1)[*:1] Cc1cccc(c1C)N1C(=O)C(Cl)=C(N[*:1])C1=O
Cc1cccc(N2C(=O)C(Cl)=C(N[C@@H](C)c3ccccc3)C2=O)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1C(=O)C(Cl)=C(N[C@@H](C)[*:1])C1=O
O=C(NCCc1nc2ccccc2[nH]1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(NCCc1nc2ccccc2[nH]1)N1CCN(CC1)[*:1]
O=C(NCCc1nc2ccccc2[nH]1)N1CCN(c2ccccc2F)CC1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NCC[*:1])N1CCN(CC1)c1ccccc1F
CCc1noc(C)c1C(=O)Nc1ccccc1OCC(C)C CC(C)[*:1] CCc1noc(C)c1C(=O)Nc1ccccc1OC[*:1]
CCc1noc(C)c1C(=O)Nc1ccccc1OCC(C)C CC(C)CO[*:1] CCc1noc(C)c1C(=O)Nc1ccccc1[*:1]
CCc1noc(C)c1C(=O)Nc1ccccc1OCC(C)C CC(C)C[*:1] CCc1noc(C)c1C(=O)Nc1ccccc1O[*:1]
Cc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)o2)c1 Cc1cccc(c1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
CC(C)c1ccc([C@@H]2C3=C(CCCC3=O)N[C@H]3N=NC(O)=C32)cc1 CC(C)[*:1] O=C1CCCC2N[C@H]3N=NC(O)=C3[C@@H](C=21)c1ccc(cc1)[*:1]
Cc1cc(OCCc2nc(CC(=O)[O-])cs2)ccc1Cl O=C([O-])[*:1] Cc1cc(ccc1Cl)OCCc1nc(cs1)C[*:1]
Cc1cc(OCCc2nc(CC(=O)[O-])cs2)ccc1Cl O=C([O-])C[*:1] Cc1cc(ccc1Cl)OCCc1nc(cs1)[*:1]
O=C(NCC(=O)N1CCN(C(=O)c2cccnc2)CC1)c1cccs1 c1cncc(c1)[*:1] O=C(NCC(=O)N1CCN(CC1)C(=O)[*:1])c1cccs1
O=C(NCC(=O)N1CCN(C(=O)c2cccnc2)CC1)c1cccs1 c1csc(c1)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)C(=O)c1cccnc1
O=C(NCC(=O)N1CCN(C(=O)c2cccnc2)CC1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(C[*:1])N1CCN(CC1)C(=O)c1cccnc1
O=c1nnc(-c2ccc([N+](=O)[O-])o2)c([O-])[nH]1 O=[N+]([O-])[*:1] O=c1nnc(-c2ccc(o2)[*:1])c([O-])[nH]1
O=C(CSCC(F)(F)F)N[C@H]1C[C@H]1c1ccccc1 FC(F)(F)CS[*:1] O=C(C[*:1])N[C@H]1C[C@H]1c1ccccc1
O=C(CSCC(F)(F)F)N[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CSCC(F)(F)F)N[C@H]1C[C@@H]1[*:1]
O=C(CSCC(F)(F)F)N[C@H]1C[C@H]1c1ccccc1 FC(F)(F)[*:1] O=C(CSC[*:1])N[C@H]1C[C@H]1c1ccccc1
O=C(CSCC(F)(F)F)N[C@H]1C[C@H]1c1ccccc1 FC(F)(F)C[*:1] O=C(CS[*:1])N[C@H]1C[C@H]1c1ccccc1
COc1ccc([C@H](Nc2nnc(C)s2)c2ccc(F)cc2)cc1 Cc1nnc(s1)[*:1] COc1ccc(cc1)[C@H](N[*:1])c1ccc(F)cc1
COc1ccc([C@H](Nc2nnc(C)s2)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](Nc1nnc(C)s1)[*:1]
COc1ccc([C@H](Nc2nnc(C)s2)c2ccc(F)cc2)cc1 Cc1nnc(N[*:1])s1 COc1ccc(cc1)[C@H](c1ccc(F)cc1)[*:1]
CSCC[NH2+]Cc1nc(C)c(C)s1 CSC[*:1] Cc1nc(C[NH2+]C[*:1])sc1C
CSCC[NH2+]Cc1nc(C)c(C)s1 CSCC[*:1] Cc1nc(C[NH2+][*:1])sc1C
CC(C)(C)OC(=O)N1CCN(C/C(N)=N\O)CC1 N/C(=N/O)[*:1] CC(C)(C)OC(=O)N1CCN(CC1)C[*:1]
CC(C)(C)OC(=O)N1CCN(C/C(N)=N\O)CC1 N/C(C[*:1])=N/O CC(C)(C)OC(=O)N1CCN(CC1)[*:1]
CC(C)(C)OC(=O)N1CCN(C/C(N)=N\O)CC1 CC(C)(C)[*:1] N/C(CN1CCN(CC1)C(=O)O[*:1])=N/O
O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc2c1OCO2 FC(F)(F)[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])c1cccc2OCOc21
C/[NH+]=C(/NCCC[NH+]1CCC(C)CC1)NC(C)C CC(C)[*:1] C/[NH+]=C(/NCCC[NH+]1CCC(C)CC1)N[*:1]
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N=C2CCCC(=O)[C@@H]21 CCO[*:1] Cc1ccc(C)c(c1)NC(=O)CSC1N=C2CCCC(=O)[C@@H]2[C@H](C=1C#N)c1ccccc1[*:1]
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N=C2CCCC(=O)[C@@H]21 Cc1ccc(C)c(c1)NC(=O)[*:1] CCOc1ccccc1[C@H]1C(C#N)=C(N=C2CCCC(=O)[C@@H]21)SC[*:1]
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N=C2CCCC(=O)[C@@H]21 Cc1ccc(C)c(c1)[*:1] CCOc1ccccc1[C@H]1C(C#N)=C(N=C2CCCC(=O)[C@@H]21)SCC(=O)N[*:1]
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N=C2CCCC(=O)[C@@H]21 CCOc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)CSC1N=C2CCCC(=O)[C@@H]2[C@H](C=1C#N)[*:1]
O[C@H](CSc1nnnn1Cc1cccs1)c1c(F)cccc1F c1csc(c1)C[*:1] O[C@H](CSc1nnnn1[*:1])c1c(F)cccc1F
O[C@H](CSc1nnnn1Cc1cccs1)c1c(F)cccc1F c1csc(c1)[*:1] O[C@H](CSc1nnnn1C[*:1])c1c(F)cccc1F
Cc1ccc(CC(=O)NCc2ccccn2)cc1C c1ccc(nc1)[*:1] Cc1ccc(cc1C)CC(=O)NC[*:1]
CCOC(=O)[C@H]1Nc2ncccc2Cc2ccccc21 CCOC(=O)[*:1] c1ccc2c(c1)Cc1cccnc1N[C@@H]2[*:1]
CN(Cc1ccsc1)C(=O)CSc1ccccc1N c1cc(cs1)C[*:1] CN(C(=O)CSc1ccccc1N)[*:1]
CN(Cc1ccsc1)C(=O)CSc1ccccc1N c1cc(cs1)[*:1] CN(C[*:1])C(=O)CSc1ccccc1N
COc1ccc(C(=O)CCNc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C(=O)CCNc1cccc(c1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3Nc4cc(F)ccc4S(=O)(=O)N3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C([C@@H]1Nc2cc(F)ccc2S(=O)(=O)N1)N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3Nc4cc(F)ccc4S(=O)(=O)N3)CC2)cc1 CC(=O)[*:1] O=C([C@@H]1Nc2cc(F)ccc2S(=O)(=O)N1)N1CCN(CC1)c1ccc(cc1)[*:1]
O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC1CCCCCCC1 O=[N+]([O-])[*:1] O=C(COc1ccc(cc1Cl)[*:1])NC1CCCCCCC1
CCC[NH2+]CC/C=C(/C)[C@@H]1CCOC2(CCSCC2)C1 CCC[*:1] C/C(=C/CC[NH2+][*:1])[C@@H]1CCOC2(CCSCC2)C1
Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 O=C(Nc1ccncc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(O)cc3)c21)[*:1]
Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 Oc1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)Nc1ccncc1
Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 c1cc(ccn1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(O)cc3)c21)C(=O)N[*:1]
Cn1cc(S(=O)(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
O=C(CCCc1ccccc1)N1CCC(Oc2ccccn2)CC1 c1ccc(cc1)C[*:1] O=C(CC[*:1])N1CCC(CC1)Oc1ccccn1
O=C(CCCc1ccccc1)N1CCC(Oc2ccccn2)CC1 c1ccc(cc1)CC[*:1] O=C(C[*:1])N1CCC(CC1)Oc1ccccn1
O=C(CCCc1ccccc1)N1CCC(Oc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(CCCc1ccccc1)N1CCC(CC1)O[*:1]
O=C(CCCc1ccccc1)N1CCC(Oc2ccccn2)CC1 c1ccc(nc1)O[*:1] O=C(CCCc1ccccc1)N1CCC(CC1)[*:1]
O=C(CCCc1ccccc1)N1CCC(Oc2ccccn2)CC1 c1ccc(cc1)[*:1] O=C(CCC[*:1])N1CCC(CC1)Oc1ccccn1
COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)Nc1ccccc1[*:1]
COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)N[*:1]
COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(c1)S(=O)(=O)N[*:1]
O=C(c1cc2c(s1)CCC2)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc2CCCc2s1)N1CCN(CC1)[*:1]
CN(C(=O)/C=C\c1ccc(OCC#N)cc1)C1CCCCCC1 N#CC[*:1] CN(C(=O)/C=C\c1ccc(cc1)O[*:1])C1CCCCCC1
CN(C(=O)/C=C\c1ccc(OCC#N)cc1)C1CCCCCC1 C1CCCC(CC1)[*:1] CN(C(=O)/C=C\c1ccc(cc1)OCC#N)[*:1]
CN(C(=O)/C=C\c1ccc(OCC#N)cc1)C1CCCCCC1 N#CCO[*:1] CN(C(=O)/C=C\c1ccc(cc1)[*:1])C1CCCCCC1
Cc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 Cc1ccc(F)cc1[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
C[C@@H](CO)NC(=O)NC[C@H]1Cc2ccccc2O1 C[C@@H](CO)[*:1] O=C(NC[C@H]1Cc2ccccc2O1)N[*:1]
C[C@@H]1SCCN(C(=O)NCc2ccnc(OC(C)(C)C)c2)[C@H]1C CC(C)(C)[*:1] C[C@@H]1SCCN(C(=O)NCc2ccnc(c2)O[*:1])[C@H]1C
C[C@@H]1SCCN(C(=O)NCc2ccnc(OC(C)(C)C)c2)[C@H]1C CC(C)(C)O[*:1] C[C@@H]1SCCN(C(=O)NCc2ccnc(c2)[*:1])[C@H]1C
Cc1nc2cc(F)ccc2cc1C(=O)OCc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1nc2cc(F)ccc2cc1C(=O)OC[*:1]
CN(Cc1ccccn1)C(=O)N[C@H]1CCC[C@H]1c1ccc(F)cc1 c1ccc(C[*:1])nc1 CN(C(=O)N[C@H]1CCC[C@H]1c1ccc(F)cc1)[*:1]
CN(Cc1ccccn1)C(=O)N[C@H]1CCC[C@H]1c1ccc(F)cc1 c1ccc(nc1)[*:1] CN(C[*:1])C(=O)N[C@H]1CCC[C@H]1c1ccc(F)cc1
CN(Cc1ccccn1)C(=O)N[C@H]1CCC[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1ccccn1)C(=O)N[C@H]1CCC[C@@H]1[*:1]
CNS(=O)(=O)[C@H]1CCOC[C@H]1Cc1ccc(Cl)cc1 CNS(=O)(=O)[*:1] Clc1ccc(cc1)C[C@@H]1COCC[C@@H]1[*:1]
Cc1noc(-c2ccc(C(=O)NNC(=S)N[C@@H](C)C3CC3)cc2)n1 Cc1noc(n1)[*:1] C[C@H](NC(=S)NNC(=O)c1ccc(cc1)[*:1])C1CC1
Cc1noc(-c2ccc(C(=O)NNC(=S)N[C@@H](C)C3CC3)cc2)n1 C1CC1[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NNC(=S)N[C@@H](C)[*:1]
Cc1sc2nc(SCC(=O)N3CCc4ccccc43)n(-c3ccccc3)c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2nc(SCC(=O)N3CCc4ccccc43)n(c(=O)c2c1C)[*:1]
[NH3+][C@@H]1CCC[C@@H](n2cc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] [NH3+][C@@H]1CCC[C@H](C1)n1cc(cn1)[*:1]
Cc1cc(F)ccc1CCNC(=O)CCNS(C)(=O)=O CS(=O)(=O)NC[*:1] Cc1cc(F)ccc1CCNC(=O)C[*:1]
Cc1cc(F)ccc1CCNC(=O)CCNS(C)(=O)=O CS(=O)(=O)N[*:1] Cc1cc(F)ccc1CCNC(=O)CC[*:1]
N#Cc1cccc(CNC(=O)c2csc(C#CCN)c2)c1 NCC#C[*:1] N#Cc1cccc(c1)CNC(=O)c1csc(c1)[*:1]
NS(=O)(=O)c1ccc(N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 NS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1N/N=C/c1cn(nc1-c1ccccc1)-c1ccccc1)[*:1]
NS(=O)(=O)c1ccc(N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NS(=O)(=O)c1ccc(N/N=C/c2cn(nc2-c2ccccc2)-c2ccccc2)c(c1)[*:1]
NS(=O)(=O)c1ccc(N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(N/N=C/c2cn(nc2-c2ccccc2)[*:1])c(c1)[N+](=O)[O-]
NS(=O)(=O)c1ccc(N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(N/N=C/c2cn(nc2[*:1])-c2ccccc2)c(c1)[N+](=O)[O-]
Nc1nnc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1 Nc1nnc(C[*:1])s1 O=C(N[*:1])C1CCN(CC1)C(=O)c1ccccc1
Nc1nnc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1 Nc1nnc(s1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1ccccc1
Nc1nnc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Nc1nnc(CNC(=O)C2CCN(CC2)C(=O)[*:1])s1
O=C([O-])C[C@H]1CN(S(=O)(=O)N2CCCCC2)CCO1 O=C([O-])[*:1] O=S(=O)(N1CCCCC1)N1CCO[C@H](C1)C[*:1]
O=C([O-])C[C@H]1CN(S(=O)(=O)N2CCCCC2)CCO1 O=C([O-])C[*:1] O=S(=O)(N1CCCCC1)N1CCO[C@H](C1)[*:1]
COc1ccc(C[C@H](C)CN(C)C(=O)Nc2ccc(C)s2)cc1 Cc1ccc(s1)[*:1] COc1ccc(cc1)C[C@H](C)CN(C)C(=O)N[*:1]
CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2)CC1 O=C([O-])[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 CCc1nn(C)cc1[*:1] C[C@H]1CN(CCN1CC(F)(F)F)C(=O)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 FC(F)(F)[*:1] CCc1nn(C)cc1NC(=O)C(=O)N1CCN(C[*:1])[C@@H](C)C1
CCc1nn(C)cc1NC(=O)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 FC(F)(F)C[*:1] CCc1nn(C)cc1NC(=O)C(=O)N1CCN([C@@H](C)C1)[*:1]
CCc1cc(CNC(=O)N[C@H]2[C@@H](C)[C@H](OC)C2(CC)CC)on1 CCc1cc(on1)[*:1] CCC1(CC)[C@@H](NC(=O)NC[*:1])[C@@H](C)[C@@H]1OC
CCOc1cc(C)ccc1NC(=O)c1cccnc1 c1cncc(c1)[*:1] CCOc1cc(C)ccc1NC(=O)[*:1]
CCOc1cc(C)ccc1NC(=O)c1cccnc1 CCO[*:1] Cc1ccc(NC(=O)c2cccnc2)c(c1)[*:1]
CSCC[C@@H](O)[C@@]1(C#N)CCOc2ccccc21 CSCC[*:1] N#C[C@@]1(CCOc2ccccc21)[C@H](O)[*:1]
CSCC[C@@H](O)[C@@]1(C#N)CCOc2ccccc21 CSC[*:1] N#C[C@@]1(CCOc2ccccc21)[C@H](O)C[*:1]
C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)C3CCC3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO C1CC(C1)[*:1] C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)[*:1])sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO
C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)C3CCC3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO O=C(N[*:1])C1CCC1 C#CCN(C)C(=O)C[C@@H]1c2nc(sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO)[*:1]
C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)C3CCC3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO C#CCN(C)C(=O)C[*:1] C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2[*:1])NC(=O)C1CCC1
C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)C3CCC3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO C#CC[*:1] CN(C(=O)C[C@@H]1c2nc(NC(=O)C3CCC3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO)[*:1]
C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)C3CCC3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO C#CCN(C)C(=O)[*:1] C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2C[*:1])NC(=O)C1CCC1
COC(=O)Nc1ccccc1C(=O)N(C)CCCc1ccccc1 c1ccc(cc1)CC[*:1] COC(=O)Nc1ccccc1C(=O)N(C)C[*:1]
COC(=O)Nc1ccccc1C(=O)N(C)CCCc1ccccc1 c1ccc(cc1)C[*:1] COC(=O)Nc1ccccc1C(=O)N(C)CC[*:1]
COC(=O)Nc1ccccc1C(=O)N(C)CCCc1ccccc1 c1ccc(cc1)[*:1] COC(=O)Nc1ccccc1C(=O)N(C)CCC[*:1]
COC(=O)Nc1ccccc1C(=O)N(C)CCCc1ccccc1 COC(=O)N[*:1] CN(CCCc1ccccc1)C(=O)c1ccccc1[*:1]
C[C@@H](CNC(=O)NCC[C@@H](C)O)Oc1cccc(Cl)c1 C[C@@H](O)CC[*:1] C[C@@H](CNC(=O)N[*:1])Oc1cccc(Cl)c1
C[C@@H](CNC(=O)NCC[C@@H](C)O)Oc1cccc(Cl)c1 C[C@@H](O)C[*:1] C[C@@H](CNC(=O)NC[*:1])Oc1cccc(Cl)c1
C[C@@H](CNC(=O)NCC[C@@H](C)O)Oc1cccc(Cl)c1 C[C@@H](O)[*:1] C[C@@H](CNC(=O)NCC[*:1])Oc1cccc(Cl)c1
COc1ccc([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCC5)N3C3=C2C(=O)CCC3)cc1OC COc1ccc(cc1OC)[*:1] N#CC1=C2N=C(N)c3c(sc4CCCCc43)N2C2CCCC(=O)C=2[C@H]1[*:1]
CCOc1ccc(NC(=O)c2ccc(N3C(=O)N4CCC5=c6ccccc6=[NH+][C@H]5[C@@]4(C)C3=O)cc2)cc1 CCO[*:1] C[C@]12C(=O)N(C(=O)N1CCC1=c3ccccc3=[NH+][C@H]12)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)c2ccc(N3C(=O)N4CCC5=c6ccccc6=[NH+][C@H]5[C@@]4(C)C3=O)cc2)cc1 CCOc1ccc(cc1)[*:1] C[C@]12C(=O)N(C(=O)N1CCC1=c3ccccc3=[NH+][C@H]12)c1ccc(cc1)C(=O)N[*:1]
CCOc1ccc(NC(=O)c2ccc(N3C(=O)N4CCC5=c6ccccc6=[NH+][C@H]5[C@@]4(C)C3=O)cc2)cc1 CCOc1ccc(cc1)NC(=O)[*:1] C[C@]12C(=O)N(C(=O)N1CCC1=c3ccccc3=[NH+][C@H]12)c1ccc(cc1)[*:1]
O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccs1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccs1)N[*:1]
O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccs1)Nc1ccc(Cl)cc1 c1csc(c1)[*:1] O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)[*:1])Nc1ccc(Cl)cc1
O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1)N1CCOCC1 c1cc2OCCOc2cc1[*:1] O=C(CN1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1])N1CCOCC1
O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=C([C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C([C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)N1CCN(CC1)C[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(C(C)(C)C)cc1 c1cc2[nH]ncc2cc1[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1ccc(cc1)C(C)(C)C
CCCn1c(C[NH2+]CC2CCC2)nc2ccccc21 C1CC(C1)[*:1] CCCn1c(C[NH2+]C[*:1])nc2ccccc21
CCCn1c(C[NH2+]CC2CCC2)nc2ccccc21 C1CC(C1)C[*:1] CCCn1c(C[NH2+][*:1])nc2ccccc21
CCCn1c(C[NH2+]CC2CCC2)nc2ccccc21 CCC[*:1] c1ccc2c(c1)nc(C[NH2+]CC1CCC1)n2[*:1]
COc1ccc2c(c1)CCC/C2=N\OCC(=O)NCc1ccco1 c1coc(c1)[*:1] COc1ccc2/C(CCCc2c1)=N/OCC(=O)NC[*:1]
COc1ccc2c(c1)CCC/C2=N\OCC(=O)NCc1ccco1 c1coc(c1)C[*:1] COc1ccc2/C(CCCc2c1)=N/OCC(=O)N[*:1]
CC(C)Oc1cccc(CN2CCn3c(nn(C)c3=O)C2)c1 CC(C)O[*:1] Cn1nc2CN(CCn2c1=O)Cc1cccc(c1)[*:1]
CC(C)Oc1cccc(CN2CCn3c(nn(C)c3=O)C2)c1 CC(C)[*:1] Cn1nc2CN(CCn2c1=O)Cc1cccc(c1)O[*:1]
C=C(C)CN/C(N)=[NH+]\Cc1ccc(C)cc1N(C)C C=C(C)[*:1] Cc1ccc(C/[NH+]=C(/N)NC[*:1])c(c1)N(C)C
C=C(C)CN/C(N)=[NH+]\Cc1ccc(C)cc1N(C)C C=C(C)C[*:1] Cc1ccc(C/[NH+]=C(/N)N[*:1])c(c1)N(C)C
C=C(C)CN/C(N)=[NH+]\Cc1ccc(C)cc1N(C)C CN(C)[*:1] C=C(C)CN/C(N)=[NH+]\Cc1ccc(C)cc1[*:1]
CCOc1ccccc1/C=N/NC(=O)[C@H]1C=C(c2cccc([N+](=O)[O-])c2)N=N1 CCOc1ccccc1[*:1] O=C(NN=C[*:1])[C@H]1C=C(N=N1)c1cccc(c1)[N+](=O)[O-]
CCOc1ccccc1/C=N/NC(=O)[C@H]1C=C(c2cccc([N+](=O)[O-])c2)N=N1 CCO[*:1] O=C(N/N=C/c1ccccc1[*:1])[C@H]1C=C(N=N1)c1cccc(c1)[N+](=O)[O-]
CCOc1ccccc1/C=N/NC(=O)[C@H]1C=C(c2cccc([N+](=O)[O-])c2)N=N1 O=[N+]([O-])c1cccc(c1)[*:1] CCOc1ccccc1/C=N/NC(=O)[C@H]1C=C(N=N1)[*:1]
CCOc1ccccc1/C=N/NC(=O)[C@H]1C=C(c2cccc([N+](=O)[O-])c2)N=N1 O=[N+]([O-])[*:1] CCOc1ccccc1/C=N/NC(=O)[C@H]1C=C(N=N1)c1cccc(c1)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 Fc1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCC1)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 O=S(=O)(N1CCCC1)[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 Fc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1[*:1] CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(c1)-c1noc(n1)[*:1]
CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1c1nc(no1)[*:1] CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(c1)[*:1]
c1ccc([C@@H]2C[C@H]2C[NH2+]Cc2nc3c(s2)CCC3)cc1 c1ccc(cc1)[*:1] C1Cc2nc(C[NH2+]C[C@@H]3C[C@H]3[*:1])sc2C1
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCCC[C@@H]1CO FC(F)(F)[*:1] O=C(Nc1cc(ccc1N1CCCC1)[*:1])N1CCCC[C@@H]1CO
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCCC[C@@H]1CO C1CCN(C1)[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)N1CCCC[C@@H]1CO
Cc1ccccc1-n1nc(C(C)(C)C)c(Br)c1N CC(C)(C)[*:1] Cc1ccccc1-n1nc(c(Br)c1N)[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1cccc(S(=O)(=O)NC)c1 CCC[*:1] CNS(=O)(=O)c1cccc(c1)CNC(=O)N1CCC[C@H](C)[C@@H]1[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1cccc(S(=O)(=O)NC)c1 CNS(=O)(=O)[*:1] CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1cccc(c1)[*:1]
O=C(NC[C@@H]1CCCO1)c1ccc(-c2cscn2)cc1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])c1ccc(cc1)-c1cscn1
O=C(NC[C@@H]1CCCO1)c1ccc(-c2cscn2)cc1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])c1ccc(cc1)-c1cscn1
O=C(NC[C@@H]1CCCO1)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] O=C(NC[C@@H]1CCCO1)c1ccc(cc1)[*:1]
O=C(Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1)N1CCOCC1 c1ccc(cc1)C[*:1] O=C(Cc1ccc(cc1)N(C(=O)/C=C/c1ccccc1)[*:1])N1CCOCC1
O=C(Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)N(Cc1ccccc1)C(=O)C=C[*:1])N1CCOCC1
O=C(Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1ccc(cc1)[*:1]
O=C(Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)N(C[*:1])C(=O)/C=C/c1ccccc1)N1CCOCC1
O=C(Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1)N1CCOCC1 C(=C[*:1])c1ccccc1 O=C(Cc1ccc(cc1)N(Cc1ccccc1)C(=O)[*:1])N1CCOCC1
O=C(Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1ccc(cc1)C[*:1]
CCCCn1nc(C(=O)O[C@@H](C)c2nc3ccccc3n2C)ccc1=O CCC[*:1] C[C@H](OC(=O)c1ccc(=O)n(C[*:1])n1)c1nc2ccccc2n1C
CCCCn1nc(C(=O)O[C@@H](C)c2nc3ccccc3n2C)ccc1=O CCCC[*:1] C[C@H](OC(=O)c1ccc(=O)n(n1)[*:1])c1nc2ccccc2n1C
CC(C)CCC(=O)NNC(=O)NC[C@H](C)c1ccsc1 CC(C)CC[*:1] C[C@@H](CNC(=O)NNC(=O)[*:1])c1ccsc1
CC(C)CCC(=O)NNC(=O)NC[C@H](C)c1ccsc1 CC(C)[*:1] C[C@@H](CNC(=O)NNC(=O)CC[*:1])c1ccsc1
CC(C)CCC(=O)NNC(=O)NC[C@H](C)c1ccsc1 CC(C)C[*:1] C[C@@H](CNC(=O)NNC(=O)C[*:1])c1ccsc1
CC(C)CCC(=O)NNC(=O)NC[C@H](C)c1ccsc1 c1cc(cs1)[*:1] CC(C)CCC(=O)NNC(=O)NC[C@H](C)[*:1]
Cc1cc([C@H](O)Cc2ccc(Br)s2)c2ccccc2n1 Brc1ccc(s1)[*:1] Cc1cc(c2ccccc2n1)[C@H](O)C[*:1]
CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc(Cl)cc3)cc2C[C@@H]1C Clc1ccc(cc1)[*:1] CCC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)CCC(=O)NC[*:1]
CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc(Cl)cc3)cc2C[C@@H]1C Clc1ccc(cc1)C[*:1] CCC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)CCC(=O)N[*:1]
CCc1nn(C)cc1CNc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 CC(C)(C)[*:1] CCc1nn(C)cc1CNc1cnc2CCN(Cc2c1)C(=O)O[*:1]
CCc1nn(C)cc1CNc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 CCc1nn(C)cc1C[*:1] CC(C)(C)OC(=O)N1CCc2ncc(cc2C1)N[*:1]
CCc1nn(C)cc1CNc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 CCc1nn(C)cc1[*:1] CC(C)(C)OC(=O)N1CCc2ncc(cc2C1)NC[*:1]
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCC(=O)NC3CC3)c2c1 O=C(NC1CC1)[*:1] Cc1cc(C)c2nc(cc(C(=O)NCCC[*:1])c2c1)C1CC1
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCC(=O)NC3CC3)c2c1 C1CC1[*:1] Cc1cc(C)c2nc(cc(C(=O)NCCCC(=O)N[*:1])c2c1)C1CC1
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCC(=O)NC3CC3)c2c1 O=C(CC[*:1])NC1CC1 Cc1cc(C)c2nc(cc(C(=O)NC[*:1])c2c1)C1CC1
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCC(=O)NC3CC3)c2c1 O=C(C[*:1])NC1CC1 Cc1cc(C)c2nc(cc(C(=O)NCC[*:1])c2c1)C1CC1
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCC(=O)NC3CC3)c2c1 C1CC1[*:1] Cc1cc(C)c2nc(cc(C(=O)NCCCC(=O)NC3CC3)c2c1)[*:1]
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCC(=O)NC3CC3)c2c1 O=C(CCC[*:1])NC1CC1 Cc1cc(C)c2nc(cc(C(=O)N[*:1])c2c1)C1CC1
C[NH+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)C1(CO)CCSCC1 c1ccc(cc1)[*:1] C[NH+](Cc1cn(nc1C(C)(C)C)[*:1])C1(CO)CCSCC1
C[NH+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)C1(CO)CCSCC1 CC(C)(C)[*:1] C[NH+](Cc1cn(nc1[*:1])-c1ccccc1)C1(CO)CCSCC1
N#C[C@@H](C(=O)CCc1nc(-c2ccsc2)no1)c1nnc2n1CCCCC2 c1cc(cs1)[*:1] N#C[C@@H](C(=O)CCc1nc(no1)[*:1])c1nnc2CCCCCn21
CCCOc1ccc(NC(=O)CNC(=O)c2ccoc2)cc1Cl CCCO[*:1] O=C(CNC(=O)c1ccoc1)Nc1ccc(c(Cl)c1)[*:1]
CCCOc1ccc(NC(=O)CNC(=O)c2ccoc2)cc1Cl CCC[*:1] O=C(CNC(=O)c1ccoc1)Nc1ccc(O[*:1])c(Cl)c1
CCCOc1ccc(NC(=O)CNC(=O)c2ccoc2)cc1Cl c1cc(co1)[*:1] CCCOc1ccc(cc1Cl)NC(=O)CNC(=O)[*:1]
CC[C@H](NC(=O)C(=O)Nc1ccccc1F)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@H](NC(=O)C(=O)Nc1ccccc1F)[*:1]
CC[C@H](NC(=O)C(=O)Nc1ccccc1F)c1ccc(OC)cc1 Fc1ccccc1[*:1] CC[C@H](NC(=O)C(=O)N[*:1])c1ccc(cc1)OC
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1C O=C(N1CCCC1)[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1-c1nc(SCC(=O)Nc2ccccc2F)n2[nH]c(=O)cc2n1 Cc1ccccc1[*:1] O=C(CSc1nc(nc2cc(=O)[nH]n12)[*:1])Nc1ccccc1F
Cc1ccccc1-c1nc(SCC(=O)Nc2ccccc2F)n2[nH]c(=O)cc2n1 Fc1ccccc1[*:1] Cc1ccccc1-c1nc(SCC(=O)N[*:1])n2[nH]c(=O)cc2n1
CCc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)c(F)c2)s1 CCc1ccc(s1)[*:1] NS(=O)(=O)c1ccc(cc1F)C(=O)NC[*:1]
CCc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)c(F)c2)s1 NS(=O)(=O)[*:1] CCc1ccc(CNC(=O)c2ccc(c(F)c2)[*:1])s1
N#C/C(=C/c1ccco1)C(=O)NCCCc1nc2ccccc2s1 c1coc(c1)[*:1] N#CC(=C[*:1])C(=O)NCCCc1nc2ccccc2s1
COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)Nc1c(C)cccc1C COC(=O)[*:1] COC(=O)[C@H]1CS[C@@H](N1C(=O)Nc1c(C)cccc1C)[*:1]
COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)Nc1c(C)cccc1C Cc1cccc(C)c1[*:1] COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)N[*:1]
COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)Nc1c(C)cccc1C COC(=O)[*:1] COC(=O)[C@@H]1SC[C@@H](N1C(=O)Nc1c(C)cccc1C)[*:1]
CCC1(CC)CC[NH+](CCCCS)CC1 SCC[*:1] CCC1(CC)CC[NH+](CC1)CC[*:1]
CCC1(CC)CC[NH+](CCCCS)CC1 SCCC[*:1] CCC1(CC)CC[NH+](CC1)C[*:1]
CCC1(CC)CC[NH+](CCCCS)CC1 SCCCC[*:1] CCC1(CC)CC[NH+](CC1)[*:1]
O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cnc2ccccc2n1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1cnc2ccccc2n1
O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cnc2ccccc2n1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)NC[*:1])c1cnc2ccccc2n1
CC(C)[C@@H]1C(=O)O[C@H](c2ccccc2)N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H]1C(=O)O[C@H](N1C(=O)c1ccccc1)[*:1]
CC(C)[C@@H]1C(=O)O[C@H](c2ccccc2)N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H]1C(=O)O[C@H](c2ccccc2)N1C(=O)[*:1]
CC(C)[C@@H]1C(=O)O[C@H](c2ccccc2)N1C(=O)c1ccccc1 CC(C)[*:1] O=C1O[C@H](c2ccccc2)N(C(=O)c2ccccc2)[C@@H]1[*:1]
CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCc2sccc2C)CC1 Cc1ccsc1[*:1] CC[NH+]1CCN(CC1)C[C@@H](C)CNC(=O)NC[*:1]
CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCc2sccc2C)CC1 Cc1ccsc1C[*:1] CC[NH+]1CCN(CC1)C[C@@H](C)CNC(=O)N[*:1]
C[C@@H](C(=O)O[C@H]1CC[C@H](S(C)(=O)=O)C1)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)O[C@H]1CC[C@@H](C1)S(C)(=O)=O)[*:1]
C[C@@H](C(=O)O[C@H]1CC[C@H](S(C)(=O)=O)C1)c1cccs1 CS(=O)(=O)[*:1] C[C@@H](C(=O)O[C@H]1CC[C@H](C1)[*:1])c1cccs1
CCc1nn(C)c2c1nc(CCl)n2[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] CCc1nn(C)c2c1nc(CCl)n2[C@H](C)[*:1]
O=C(COCC1CC1)NCCc1ccccc1Br C1CC1COC[*:1] O=C(NCCc1ccccc1Br)[*:1]
O=C(COCC1CC1)NCCc1ccccc1Br C1CC1C[*:1] O=C(CO[*:1])NCCc1ccccc1Br
O=C(COCC1CC1)NCCc1ccccc1Br C1CC1CO[*:1] O=C(C[*:1])NCCc1ccccc1Br
O=C(COCC1CC1)NCCc1ccccc1Br C1CC1[*:1] O=C(COC[*:1])NCCc1ccccc1Br
O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1 Fc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1
O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(C[*:1])/C(=N/c2ccc(F)cc2)S1
O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1 c1ccc(cc1)CC[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(/C(=N/c2ccc(F)cc2)S1)[*:1]
O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CC[*:1])/C(=N/c2ccc(F)cc2)S1
O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1 O=C(Nc1ccc(F)cc1)[*:1] O=C1C[C@@H](S/C(=N\c2ccc(F)cc2)N1CCc1ccccc1)[*:1]
O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C(=N[*:1])S1
N/C(=[NH+]\NC(=O)c1cccs1)c1ccc(C(F)(F)F)cn1 c1csc(c1)[*:1] N/C(=[NH+]\NC(=O)[*:1])c1ccc(cn1)C(F)(F)F
N/C(=[NH+]\NC(=O)c1cccs1)c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] N/C(=[NH+]\NC(=O)c1cccs1)c1ccc(cn1)[*:1]
CCSCc1ccc(C(=O)N2C[C@@H](C)OCC2(C)C)cc1 CCS[*:1] C[C@@H]1CN(C(=O)c2ccc(cc2)C[*:1])C(C)(C)CO1
CCSCc1ccc(C(=O)N2C[C@@H](C)OCC2(C)C)cc1 CCSC[*:1] C[C@@H]1CN(C(=O)c2ccc(cc2)[*:1])C(C)(C)CO1
O=C(Nc1cccc(Oc2cnccn2)c1)C(=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] O=C(Nc1cccc(c1)Oc1cnccn1)C(=O)N[*:1]
O=C(Nc1cccc(Oc2cnccn2)c1)C(=O)NC1CCCCCCC1 c1cnc(cn1)[*:1] O=C(Nc1cccc(c1)O[*:1])C(=O)NC1CCCCCCC1
O=C(Nc1cccc(Oc2cnccn2)c1)C(=O)NC1CCCCCCC1 c1cnc(cn1)O[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)NC1CCCCCCC1
COC(=O)C(C)(C)C(C)(C)[NH2+]C1CCCC1 C1CCC(C1)[*:1] COC(=O)C(C)(C)C(C)(C)[NH2+][*:1]
COC(=O)C(C)(C)C(C)(C)[NH2+]C1CCCC1 COC(=O)[*:1] CC(C)([NH2+]C1CCCC1)C(C)(C)[*:1]
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Nc1nc2ccccc2nc1N1CCCC1)[*:1]
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1[*:1]
Cc1nc(CNC(=O)N[C@](C)(CO)C2CCCCC2)sc1C Cc1nc(sc1C)[*:1] C[C@](CO)(NC(=O)NC[*:1])C1CCCCC1
Cc1nc(CNC(=O)N[C@](C)(CO)C2CCCCC2)sc1C C1CCC(CC1)[*:1] Cc1nc(CNC(=O)N[C@](C)(CO)[*:1])sc1C
COCC[C@H](C)NC(=O)Nc1ccc2c(c1)C(=O)CCC2 COCC[*:1] C[C@H](NC(=O)Nc1ccc2CCCC(=O)c2c1)[*:1]
COCC[C@H](C)NC(=O)Nc1ccc2c(c1)C(=O)CCC2 COC[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccc2CCCC(=O)c2c1
COCC[C@H](C)NC(=O)Nc1ccc2c(c1)C(=O)CCC2 COCC[C@H](C)[*:1] O=C(Nc1ccc2CCCC(=O)c2c1)N[*:1]
C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)c1ccc(Cl)c(c1)[*:1])c1ccc2ccccc2c1
Cc1oc2ncnc(N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)c2c1C C1CCCC(CC1)[*:1] Cc1oc2ncnc(c2c1C)N1CCC[C@H](C1)C(=O)N[*:1]
CCCN1CCN(S(=O)(=O)Cc2cccc(N)c2)CC1 CCC[*:1] Nc1cccc(c1)CS(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(C)c(C(=O)NNC(=O)Cn2nc(C)cc2C)c1 Cc1cc(C)n(n1)[*:1] Cc1ccc(C)c(c1)C(=O)NNC(=O)C[*:1]
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ccc2ccc(F)cc2n1 CS(=O)(=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)c1ccc2ccc(F)cc2n1
CC(C)[C@@H](CO)NC(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] CC(C)[C@@H](CO)NC(=O)c1ccccc1[*:1]
CC(C)[C@@H](CO)NC(=O)c1ccccc1C(F)(F)F CC(C)[*:1] O=C(N[C@H](CO)[*:1])c1ccccc1C(F)(F)F
CC(C)[C@@H](CO)NC(=O)c1ccccc1C(F)(F)F CC(C)[C@@H](CO)[*:1] O=C(N[*:1])c1ccccc1C(F)(F)F
C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1Cc1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1C[*:1]
O=C(Cc1nc(Cc2ccc(Cl)cc2)n[nH]1)NCc1ccco1 Clc1ccc(cc1)[*:1] O=C(Cc1nc(C[*:1])n[nH]1)NCc1ccco1
O=C(Cc1nc(Cc2ccc(Cl)cc2)n[nH]1)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cc1nc(Cc2ccc(Cl)cc2)n[nH]1)N[*:1]
O=C(Cc1nc(Cc2ccc(Cl)cc2)n[nH]1)NCc1ccco1 c1coc(c1)[*:1] O=C(Cc1nc(Cc2ccc(Cl)cc2)n[nH]1)NC[*:1]
CCSc1ccccc1C(=O)Nc1nc2c(SC)cccc2s1 CCS[*:1] CSc1cccc2sc(nc12)NC(=O)c1ccccc1[*:1]
CC[C@@H](CCO)CNC(=O)c1ccc2c(c1)OCC(=O)N2 OCC[*:1] CC[C@@H](CNC(=O)c1ccc2NC(=O)COc2c1)[*:1]
CC[C@@H](CCO)CNC(=O)c1ccc2c(c1)OCC(=O)N2 CC[C@@H](CCO)C[*:1] O=C1COc2cc(ccc2N1)C(=O)N[*:1]
CC[C@@H](CCO)CNC(=O)c1ccc2c(c1)OCC(=O)N2 CC[C@@H](CCO)[*:1] O=C1COc2cc(ccc2N1)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(F)cc2C)cc1C Cc1cc(F)ccc1[*:1] Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)N[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(F)cc2C)cc1C Cc1ccc(cc1C)[*:1] Cc1cc(F)ccc1NC(=O)CCNS(=O)(=O)[*:1]
C=CCn1c(C)nn(C[NH+]2CCC(OCC)CC2)c1=S CCO[*:1] C=CCn1c(C)nn(C[NH+]2CCC(CC2)[*:1])c1=S
C=CCn1c(C)nn(C[NH+]2CCC(OCC)CC2)c1=S C=CC[*:1] CCOC1CC[NH+](CC1)Cn1nc(C)n(c1=S)[*:1]
C[NH+](CCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCNC(=O)c1cccn1-c1nnc(s1)N1CCCC1)[*:1]
C[NH+](CCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1)C1CCCCC1 C1CCN(C1)[*:1] C[NH+](CCNC(=O)c1cccn1-c1nnc(s1)[*:1])C1CCCCC1
COC(=O)[C@]1(N)CC[C@H](Oc2cc(C)cc(C)c2C)C1 COC(=O)[*:1] Cc1cc(C)c(C)c(c1)O[C@H]1CC[C@@](N)(C1)[*:1]
COCCCN(C)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCCCN(C)C(=O)N[C@@H]1CCC[C@H]1[*:1]
COCCCN(C)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 COCCC[*:1] CN(C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)[*:1]
COCCCN(C)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 COC[*:1] CN(CC[*:1])C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1
COCCCN(C)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 COCC[*:1] CN(C[*:1])C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1
CCCC[C@H](O)[C@@H]1CCCC1=O CCCC[*:1] O=C1CCC[C@H]1[C@@H](O)[*:1]
CCCC[C@H](O)[C@@H]1CCCC1=O CCC[*:1] O=C1CCC[C@H]1[C@@H](O)C[*:1]
CC(C)[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 CC(C)[*:1] C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)[*:1]
CC(C)[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 CC(C)[C@H](C)[*:1] C1CCC2(C1)C[C@H](CCO2)[NH2+][*:1]
C[C@H]1CC(Oc2c(F)cc(CC[NH3+])cc2F)C[C@H](C)C1 [NH3+]CC[*:1] C[C@H]1CC(C[C@H](C)C1)Oc1c(F)cc(cc1F)[*:1]
COc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)N(CC(=O)[O-])S(=O)(=O)[*:1]
COc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)c1 O=C([O-])[*:1] COc1cccc(c1)N(C[*:1])S(=O)(=O)c1ccc(C)cc1
COc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)c1 O=C([O-])C[*:1] COc1cccc(c1)N(S(=O)(=O)c1ccc(C)cc1)[*:1]
Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] O=C([O-])[*:1] Cc1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])[*:1]
Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(C(=O)[O-])c(cc1[N+](=O)[O-])[*:1]
Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(C(=O)[O-])c(cc1[*:1])[N+](=O)[O-]
COc1ccc(O[C@H](C)CNC(=O)c2ccc3[nH]c(=S)oc3c2)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccc2[nH]c(=S)oc2c1)O[*:1]
CCn1c([C@H]2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)nn(C)c1=O CC(C)[*:1] CCn1c(nn(C)c1=O)[C@H]1CCCN(C1)C(=O)c1cc(C[*:1])nn1C
CCn1c([C@H]2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)nn(C)c1=O CC(C)C[*:1] CCn1c(nn(C)c1=O)[C@H]1CCCN(C1)C(=O)c1cc(nn1C)[*:1]
CCn1c([C@H]2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)nn(C)c1=O CCn1c(nn(C)c1=O)[*:1] CC(C)Cc1cc(C(=O)N2CCC[C@@H](C2)[*:1])n(C)n1
Cc1ccc(NC(=O)NCCc2nc(-c3ccc(Cl)cc3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1nc(cs1)-c1ccc(Cl)cc1)N[*:1]
Cc1ccc(NC(=O)NCCc2nc(-c3ccc(Cl)cc3)cs2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)NCCc1nc(cs1)[*:1]
c1ccc2oc(CN3CCO[C@@H](Cn4cncn4)C3)nc2c1 c1ncn(C[*:1])n1 c1ccc2oc(CN3CCO[C@@H](C3)[*:1])nc2c1
c1ccc2oc(CN3CCO[C@@H](Cn4cncn4)C3)nc2c1 c1ncn(n1)[*:1] c1ccc2oc(CN3CCO[C@H](C3)C[*:1])nc2c1
O=S(=O)(c1ccc2c(ccn2Cc2ccccc2)c1)N1CCC[NH2+]CC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc2c(ccn2C[*:1])c1)N1CCC[NH2+]CC1
O=S(=O)(c1ccc2c(ccn2Cc2ccccc2)c1)N1CCC[NH2+]CC1 c1ccc(cc1)C[*:1] O=S(=O)(c1ccc2c(ccn2[*:1])c1)N1CCC[NH2+]CC1
CN(C)c1cc[n+](C[C@H](O)CCl)cc1 CN(C)[*:1] O[C@H](CCl)C[n+]1ccc(cc1)[*:1]
CN(C)c1cc[n+](C[C@H](O)CCl)cc1 O[C@H](CCl)[*:1] CN(C)c1cc[n+](cc1)C[*:1]
C[C@@H]1CN(Cc2nc(C(C)(C)C)no2)C[C@H](c2ccccc2)O1 CC(C)(C)[*:1] C[C@@H]1CN(Cc2nc(no2)[*:1])C[C@@H](O1)c1ccccc1
C[C@@H]1CN(Cc2nc(C(C)(C)C)no2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(Cc2nc(no2)C(C)(C)C)C[C@H](O1)[*:1]
CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccs1 C1CO[C@@H](C1)[*:1] CC[C@@H]([NH2+]Cc1cccc(c1)NC(=O)[*:1])c1cccs1
CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccs1 c1csc(c1)[*:1] CC[C@@H]([NH2+]Cc1cccc(c1)NC(=O)[C@@H]1CCCO1)[*:1]
CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccs1 O=C(N[*:1])[C@@H]1CCCO1 CC[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1cccs1
CCc1nnc2n1CCN(C(=O)COCCc1ccccc1)C2 c1ccc(cc1)C[*:1] CCc1nnc2CN(CCn12)C(=O)COC[*:1]
CCc1nnc2n1CCN(C(=O)COCCc1ccccc1)C2 c1ccc(cc1)[*:1] CCc1nnc2CN(CCn12)C(=O)COCC[*:1]
O=C(NC[C@@H]1C[C@H]1c1ccccc1)C1(O)Cc2ccccc2C1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1C[C@@H]1[*:1])C1(O)Cc2ccccc2C1
CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCC2(c3ccccc3)CCC2)c1 CCNC(=O)[*:1] Cc1ccc(cc1NC(=O)C(=O)NCC1(CCC1)c1ccccc1)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCC2(c3ccccc3)CCC2)c1 c1ccc(cc1)[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)C(=O)NCC1(CCC1)[*:1]
CN[C@]1(C(=O)OC)CC[C@@H](Sc2nc(C)c(C)c(C)n2)C1 COC(=O)[*:1] CN[C@@]1(CC[C@H](C1)Sc1nc(C)c(C)c(C)n1)[*:1]
O=C(/C=C\c1cccs1)O[C@@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(/C=C\c1cccs1)O[C@@H](c1ccccc1)[*:1]
O=C(/C=C\c1cccs1)O[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(/C=C\c1cccs1)O[C@@H](c1ccccn1)[*:1]
O=C(/C=C\c1cccs1)O[C@@H](c1ccccc1)c1ccccn1 C(=C[*:1])c1cccs1 O=C(O[C@@H](c1ccccc1)c1ccccn1)[*:1]
O=C(/C=C\c1cccs1)O[C@@H](c1ccccc1)c1ccccn1 c1csc(c1)[*:1] O=C(C=C[*:1])O[C@@H](c1ccccc1)c1ccccn1
O=C(Nc1nnc(-c2ccccc2)s1)c1cc(Br)ccc1Cl c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[*:1])c1cc(Br)ccc1Cl
CCC(CC)(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[O-] CC(=O)N[*:1] CCC(CC)(CC(=O)Nc1ccc(cc1)[*:1])C(=O)[O-]
CCC(CC)(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(CC(=O)Nc1ccc(cc1)NC(C)=O)[*:1]
C[C@](O)(CNC(=O)COc1ccccc1Cl)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)COc1ccccc1Cl)[*:1]
C[C@](O)(CNC(=O)COc1ccccc1Cl)c1ccc(F)cc1 Clc1ccccc1[*:1] C[C@](O)(CNC(=O)CO[*:1])c1ccc(F)cc1
CCN(CCC#N)Cc1ccc(C(=O)NC)cc1 N#CCC[*:1] CCN(Cc1ccc(cc1)C(=O)NC)[*:1]
CCN(CCC#N)Cc1ccc(C(=O)NC)cc1 CNC(=O)[*:1] CCN(CCC#N)Cc1ccc(cc1)[*:1]
CCN(CCC#N)Cc1ccc(C(=O)NC)cc1 N#CC[*:1] CCN(Cc1ccc(cc1)C(=O)NC)C[*:1]
CCCC(=O)Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)s1 CCC[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(NC(=O)[*:1])s1
CCCC(=O)Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)s1 CCCC(=O)N[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(s1)[*:1]
CCc1c(C#N)c(N)nc2sc(C(=O)c3ccc(Cl)c(Cl)c3)c(N)c12 Clc1ccc(cc1Cl)[*:1] CCc1c(C#N)c(N)nc2sc(C(=O)[*:1])c(N)c12
CC(C)(C)Oc1ccc(C(=O)NC[C@H](O)Cc2ccccc2)cc1 CC(C)(C)O[*:1] O=C(NC[C@H](O)Cc1ccccc1)c1ccc(cc1)[*:1]
CC(C)(C)Oc1ccc(C(=O)NC[C@H](O)Cc2ccccc2)cc1 CC(C)(C)[*:1] O=C(NC[C@H](O)Cc1ccccc1)c1ccc(cc1)O[*:1]
CC(C)(C)Oc1ccc(C(=O)NC[C@H](O)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)NC[C@H](O)C[*:1]
CC(C)(C)Oc1ccc(C(=O)NC[C@H](O)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)NC[C@H](O)[*:1]
Cc1nc(C)n(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)n1 CC(C)(C)[*:1] Cc1nc(C)n(C[C@@H](O)COc2ccc(cc2)[*:1])n1
Cc1nc(C)n(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)n1 Cc1nc(C)n(n1)[*:1] CC(C)(C)c1ccc(cc1)OC[C@H](O)C[*:1]
CC(C)COc1ccc(C(C)(C)C(=O)NCC#N)cc1 N#CC[*:1] CC(C)COc1ccc(cc1)C(C)(C)C(=O)N[*:1]
CC(C)COc1ccc(C(C)(C)C(=O)NCC#N)cc1 N#CCNC(=O)[*:1] CC(C)COc1ccc(cc1)C(C)(C)[*:1]
CC(C)COc1ccc(C(C)(C)C(=O)NCC#N)cc1 CC(C)CO[*:1] CC(C)(C(=O)NCC#N)c1ccc(cc1)[*:1]
CC(C)COc1ccc(C(C)(C)C(=O)NCC#N)cc1 CC(C)[*:1] CC(C)(C(=O)NCC#N)c1ccc(cc1)OC[*:1]
CC(C)COc1ccc(C(C)(C)C(=O)NCC#N)cc1 CC(C)C[*:1] CC(C)(C(=O)NCC#N)c1ccc(cc1)O[*:1]
COC(=O)CNc1nc(C(F)(F)F)ccc1C(N)=S FC(F)(F)[*:1] COC(=O)CNc1nc(ccc1C(N)=S)[*:1]
COC(=O)CNc1nc(C(F)(F)F)ccc1C(N)=S COC(=O)C[*:1] NC(=S)c1ccc(nc1N[*:1])C(F)(F)F
COC(=O)CNc1nc(C(F)(F)F)ccc1C(N)=S COC(=O)CN[*:1] NC(=S)c1ccc(nc1[*:1])C(F)(F)F
COC(=O)CNc1nc(C(F)(F)F)ccc1C(N)=S NC(=S)[*:1] COC(=O)CNc1nc(ccc1[*:1])C(F)(F)F
COC(=O)CNc1nc(C(F)(F)F)ccc1C(N)=S COC(=O)[*:1] NC(=S)c1ccc(nc1NC[*:1])C(F)(F)F
CCCCn1c(C)c(CC(=O)N2CCC(COC)CC2)c2c1CCCC2=O CCC[*:1] COCC1CCN(CC1)C(=O)Cc1c2C(=O)CCCc2n(C[*:1])c1C
CCCCn1c(C)c(CC(=O)N2CCC(COC)CC2)c2c1CCCC2=O COC[*:1] CCCCn1c(C)c(CC(=O)N2CCC(CC2)[*:1])c2C(=O)CCCc21
CCCCn1c(C)c(CC(=O)N2CCC(COC)CC2)c2c1CCCC2=O CCCC[*:1] COCC1CCN(CC1)C(=O)Cc1c2C(=O)CCCc2n(c1C)[*:1]
CC(C)n1cc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CCCc4cccc2c43)cn1 CC(C)[*:1] C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCc3cccc1c32)c1cnn(c1)[*:1]
COc1ccccc1[C@@H](NCc1ccc(C)s1)c1[nH+]ccn1C Cc1ccc(s1)[*:1] COc1ccccc1[C@@H](NC[*:1])c1[nH+]ccn1C
COc1ccccc1[C@@H](NCc1ccc(C)s1)c1[nH+]ccn1C Cc1ccc(C[*:1])s1 COc1ccccc1[C@@H](N[*:1])c1[nH+]ccn1C
CCn1nc(C(F)(F)F)cc1CNc1cc(F)ccc1F FC(F)(F)[*:1] CCn1nc(cc1CNc1cc(F)ccc1F)[*:1]
CN(C(=O)CSc1ccc(Cl)cc1)c1cccc2ncccc12 Clc1ccc(cc1)[*:1] CN(C(=O)CS[*:1])c1cccc2ncccc12
O=C([C@@H]1C[NH2+]CCO1)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 C1CC(C1)C[*:1] O=C([C@@H]1C[NH2+]CCO1)N1CCC(CC1)c1[nH+]ccn1[*:1]
O=C([C@@H]1C[NH2+]CCO1)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 C1CC(C1)[*:1] O=C([C@@H]1C[NH2+]CCO1)N1CCC(CC1)c1[nH+]ccn1C[*:1]
N#Cc1ccnc(N2CCC3(CC2)c2ccccc2[C@@H]([NH+]2CCCC2)[C@@H]3O)c1 N#Cc1ccnc(c1)[*:1] O[C@H]1[C@@H](c2ccccc2C12CCN(CC2)[*:1])[NH+]1CCCC1
CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(c1)[*:1]
CCC[C@@H]1CN(C(=O)Nc2cccc(CSCC)c2)CCO1 CCC[*:1] CCSCc1cccc(c1)NC(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)Nc2cccc(CSCC)c2)CCO1 CCS[*:1] CCC[C@@H]1CN(CCO1)C(=O)Nc1cccc(c1)C[*:1]
CCC[C@@H]1CN(C(=O)Nc2cccc(CSCC)c2)CCO1 CCSC[*:1] CCC[C@@H]1CN(CCO1)C(=O)Nc1cccc(c1)[*:1]
CCCc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2SCC)n(C)n1 CCC[*:1] CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2SCC)n(C)n1 CCS[*:1] CCCc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[*:1])n(C)n1
CCc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1 Cc1ccc(cc1C)[*:1] CCc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)N=C(C(=O)N2)[*:1]
CCc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1C)C1=NC2(CCN(CC2)S(=O)(=O)[*:1])NC1=O
Fc1ccc(NCc2noc(-c3cccs3)n2)c(OCC(F)F)c1 c1csc(c1)[*:1] Fc1ccc(NCc2noc(n2)[*:1])c(c1)OCC(F)F
Fc1ccc(NCc2noc(-c3cccs3)n2)c(OCC(F)F)c1 FC(F)CO[*:1] Fc1ccc(NCc2noc(n2)-c2cccs2)c(c1)[*:1]
Fc1ccc(NCc2noc(-c3cccs3)n2)c(OCC(F)F)c1 FC(F)[*:1] Fc1ccc(NCc2noc(n2)-c2cccs2)c(c1)OC[*:1]
Fc1ccc(NCc2noc(-c3cccs3)n2)c(OCC(F)F)c1 FC(F)C[*:1] Fc1ccc(NCc2noc(n2)-c2cccs2)c(c1)O[*:1]
CC(=O)NC1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 N#Cc1ccccc1C[*:1] CC(=O)NC1CCN(CC1)C(=O)c1cccc(c1)O[*:1]
CC(=O)NC1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 CC(=O)N[*:1] N#Cc1ccccc1COc1cccc(c1)C(=O)N1CCC(CC1)[*:1]
CC(=O)NC1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 N#Cc1ccccc1[*:1] CC(=O)NC1CCN(CC1)C(=O)c1cccc(c1)OC[*:1]
O=C(C[NH+]1CCC(OCc2ccccc2F)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)OCc1ccccc1F)N[*:1]
O=C(C[NH+]1CCC(OCc2ccccc2F)CC1)Nc1ccc(F)cc1 Fc1ccccc1C[*:1] O=C(C[NH+]1CCC(CC1)O[*:1])Nc1ccc(F)cc1
O=C(C[NH+]1CCC(OCc2ccccc2F)CC1)Nc1ccc(F)cc1 Fc1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)OC[*:1])Nc1ccc(F)cc1
CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(-n3cccc3)nc2)C1 c1ccn(c1)[*:1] CC[NH+](CC)[C@H]1CCN(C1)C(=O)c1ccc(nc1)[*:1]
CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccn2)c1 CC(=O)N[*:1] C[C@@H]([NH2+]Cc1ccccn1)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccn2)c1 c1ccc(nc1)[*:1] CC(=O)Nc1cccc(c1)[C@@H](C)[NH2+]C[*:1]
COc1ccc(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccc(OC)cc23)cc1 COc1ccc(cc1)[*:1] COc1ccc2NC(=O)[C@]3(CCN(C3)C(=O)[*:1])c2c1
C[NH+](C)[C@H]1CC[C@H](NC(=O)N(CCc2ccccc2)Cc2ccncc2)C1 c1ccc(cc1)CC[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N(Cc1ccncc1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N(CCc2ccccc2)Cc2ccncc2)C1 c1cc(ccn1)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N(CCc1ccccc1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N(CCc2ccccc2)Cc2ccncc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N(CC[*:1])Cc1ccncc1
C[NH+](C)[C@H]1CC[C@H](NC(=O)N(CCc2ccccc2)Cc2ccncc2)C1 c1cc(ccn1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N(CCc1ccccc1)C[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N(CCc2ccccc2)Cc2ccncc2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N(Cc1ccncc1)C[*:1]
Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)CN(C)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)CN(C)C(=O)c1cccc(c1)S(=O)(=O)NC[*:1]
Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)S(=O)(=O)NCc1cccs1
Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 Cc1ccc(cc1)C[*:1] CN(C(=O)c1cccc(c1)S(=O)(=O)NCc1cccs1)[*:1]
Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCN(c5ccccc5)CC4)c12)OC(C)(C)CC3 c1ccc(cc1)[*:1] Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCN(CC3)[*:1])c12
Cc1cccnc1CN1CCN(Cc2ncccc2C)[C@H](C(=O)N(C)C)C1 Cc1cccnc1[*:1] Cc1cccnc1CN1CCN(C[*:1])[C@@H](C1)C(=O)N(C)C
Cc1cccnc1CN1CCN(Cc2ncccc2C)[C@H](C(=O)N(C)C)C1 Cc1cccnc1C[*:1] Cc1cccnc1CN1CCN([C@@H](C1)C(=O)N(C)C)[*:1]
Cc1cccnc1CN1CCN(Cc2ncccc2C)[C@H](C(=O)N(C)C)C1 CN(C)C(=O)[*:1] Cc1cccnc1CN1CCN(Cc2ncccc2C)[C@H](C1)[*:1]
Cc1cccnc1CN1CCN(Cc2ncccc2C)[C@H](C(=O)N(C)C)C1 Cc1cccnc1[*:1] Cc1cccnc1CN1CCN(C[C@H]1C(=O)N(C)C)C[*:1]
Cc1cccnc1CN1CCN(Cc2ncccc2C)[C@H](C(=O)N(C)C)C1 Cc1cccnc1C[*:1] Cc1cccnc1CN1CCN(C[C@H]1C(=O)N(C)C)[*:1]
CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(C(=O)c2ccc(-n4ccnc4)cc2)CC3)CC1 c1cn(cn1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)[C@@H]1CC12CCN(CC2)C(=O)c1ccc(cc1)[*:1]
CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(C(=O)c2ccc(-n4ccnc4)cc2)CC3)CC1 c1cn(cn1)-c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)[C@@H]1CC12CCN(CC2)C(=O)[*:1]
O=C([C@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c2ccccc2O1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(C1C=CC2=NS(=O)(=O)CCN2C=1)N1C[C@@H](Oc2ccccc21)[*:1]
CCc1nc(C)ncc1C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 CN(C)C(=O)[*:1] CCc1nc(C)ncc1C(=O)Nc1ccc(c(C)c1)[*:1]
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)C2CC2)cc1 C1CC1[*:1] COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)[*:1])cc1
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)C2CC2)cc1 CN(C(=O)[*:1])C1CC1 COc1ccc(/C=C/C(=O)N[C@@H](C)[*:1])cc1
CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1OCC(=O)[O-] c1cc2OCOc2cc1[*:1] CCc1cc2c(=O)c(c(C)oc2cc1OCC(=O)[O-])[*:1]
CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1OCC(=O)[O-] O=C([O-])[*:1] CCc1cc2c(=O)c(-c3ccc4OCOc4c3)c(C)oc2cc1OC[*:1]
CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1OCC(=O)[O-] O=C([O-])C[*:1] CCc1cc2c(=O)c(-c3ccc4OCOc4c3)c(C)oc2cc1O[*:1]
CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1OCC(=O)[O-] O=C([O-])CO[*:1] CCc1cc2c(=O)c(-c3ccc4OCOc4c3)c(C)oc2cc1[*:1]
C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)[*:1]
CCOc1ccc(CN2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CN1CCc2nc(ncc2C1)Nc1ccc(F)cc1F
CCOc1ccc(CN2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)cc1OC Fc1ccc(c(F)c1)[*:1] CCOc1ccc(cc1OC)CN1CCc2nc(ncc2C1)N[*:1]
CCOc1ccc(CN2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)cc1OC Fc1ccc(N[*:1])c(F)c1 CCOc1ccc(cc1OC)CN1CCc2nc(ncc2C1)[*:1]
O=C(/C=C/c1cccs1)NC[C@@H]1CCC(=O)N1 c1csc(c1)[*:1] O=C(C=C[*:1])NC[C@@H]1CCC(=O)N1
CSCC[C@@H](C)N(C)C(=O)Nc1cc(-n2cnnn2)ccc1F CSCC[*:1] C[C@@H](N(C)C(=O)Nc1cc(ccc1F)-n1cnnn1)[*:1]
CSCC[C@@H](C)N(C)C(=O)Nc1cc(-n2cnnn2)ccc1F CSC[*:1] C[C@H](C[*:1])N(C)C(=O)Nc1cc(ccc1F)-n1cnnn1
CSCC[C@@H](C)N(C)C(=O)Nc1cc(-n2cnnn2)ccc1F c1nnnn1[*:1] CSCC[C@@H](C)N(C)C(=O)Nc1cc(ccc1F)[*:1]
O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C1N[C@](C[*:1])(C(=O)N1Cc1ccc(cc1)[N+](=O)[O-])c1ccccc1
O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C1N[C@@](Cc2ccccc2)(C(=O)N1Cc1ccc(cc1)[N+](=O)[O-])[*:1]
O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C1N[C@](Cc2ccccc2)(C(=O)N1Cc1ccc(cc1)[*:1])c1ccccc1
O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] O=C1N[C@](C(=O)N1Cc1ccc(cc1)[N+](=O)[O-])(c1ccccc1)[*:1]
O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1N[C@](Cc2ccccc2)(C(=O)N1C[*:1])c1ccccc1
O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)C[*:1] O=C1N[C@](Cc2ccccc2)(C(=O)N1[*:1])c1ccccc1
C/[NH+]=C(/NCC1(c2ccccc2F)CC1)N1CCC(C(=O)OC)CC1 Fc1ccccc1[*:1] C/[NH+]=C(/NCC1(CC1)[*:1])N1CCC(CC1)C(=O)OC
C/[NH+]=C(/NCC1(c2ccccc2F)CC1)N1CCC(C(=O)OC)CC1 COC(=O)[*:1] C/[NH+]=C(/NCC1(CC1)c1ccccc1F)N1CCC(CC1)[*:1]
COc1ccc2c(c1)C[NH+](Cc1ccccc1)C2 c1ccc(cc1)[*:1] COc1ccc2C[NH+](Cc2c1)C[*:1]
O=C(NC[C@H]1CCc2ccccc2O1)Nc1ccnn1CC1CC1 C1CC1[*:1] O=C(NC[C@H]1CCc2ccccc2O1)Nc1ccnn1C[*:1]
O=C(NC[C@H]1CCc2ccccc2O1)Nc1ccnn1CC1CC1 C1CC1C[*:1] O=C(NC[C@H]1CCc2ccccc2O1)Nc1ccnn1[*:1]
CC(C)(NC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccc(F)c1 Fc1ccc(cc1)[*:1] CC(C)(NC(=O)Cc1coc(n1)[*:1])c1cccc(F)c1
CC(C)(NC(=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(NC(=O)Cc1coc(n1)-c1ccc(F)cc1)[*:1]
CC(C)[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1ccccn1 CC(C)(C)[*:1] CC(C)[C@@H](NC(=O)NNc1ccc(nn1)[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)NNc1ccc(nn1)C(C)(C)C)[*:1]
CC(C)[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1ccccn1 CC(C)[*:1] CC(C)(C)c1ccc(nn1)NNC(=O)N[C@@H](c1ccccn1)[*:1]
O=C(c1cc(=O)c2ccccc2o1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(c1cc(=O)c2ccccc2o1)N(C[C@H]1CCCO1)C[*:1]
O=C(c1cc(=O)c2ccccc2o1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(c1cc(=O)c2ccccc2o1)N(C[C@H]1CCCO1)[*:1]
Cc1csc([C@@H]2CCCN(Cc3cccnc3C)C2)n1 Cc1csc(n1)[*:1] Cc1ncccc1CN1CCC[C@H](C1)[*:1]
O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-n2cccn2)cc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@@H](CO)C[*:1])c1ccc(cc1)-n1cccn1
O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(cc1)[*:1]
CC1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CC1 CC1CCC(CC1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1cc2c(N[C@@H]3CCCCC[C@@H]3C(=O)[O-])ncnc2s1 O=C([O-])[*:1] Cc1cc2c(ncnc2s1)N[C@@H]1CCCCC[C@H]1[*:1]
COC(=O)[C@]1(N)CC[C@H]([NH+](C)C)C1 COC(=O)[*:1] C[NH+](C)[C@H]1CC[C@@](N)(C1)[*:1]
CCCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C c1ccc(cc1)[*:1] CCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)NC[*:1]
CCCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C c1ccc(cc1)CN[*:1] CCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)[*:1]
CCCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C CCCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2[*:1]
CCCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C CCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2C[*:1]
CCCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C c1ccc(cc1)C[*:1] CCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N[*:1]
CC(=O)c1cccc(NC(=S)Nc2ccc(C)cc2)c1 CC(=O)[*:1] Cc1ccc(cc1)NC(=S)Nc1cccc(c1)[*:1]
Cc1ccc2nc(CSCC(=O)N(C)Cc3ccccc3)cn2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(cn2c1)CSCC(=O)N(C)C[*:1]
Cc1ccc2nc(CSCC(=O)N(C)Cc3ccccc3)cn2c1 c1ccc(cc1)C[*:1] Cc1ccc2nc(cn2c1)CSCC(=O)N(C)[*:1]
CCC1(CNC(=O)c2cccc(C(F)(F)F)c2F)CC1 FC(F)(F)[*:1] CCC1(CC1)CNC(=O)c1cccc(c1F)[*:1]
CCC1(CNC(=O)c2cccc(C(F)(F)F)c2F)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])c1cccc(c1F)C(F)(F)F
CCC1(CNC(=O)c2cccc(C(F)(F)F)c2F)CC1 CCC1(CC1)C[*:1] O=C(N[*:1])c1cccc(c1F)C(F)(F)F
CCOC(=O)[C@@]1(NC(=O)[C@H](C)n2cccn2)CCc2ccccc21 CCOC(=O)[*:1] C[C@@H](C(=O)N[C@]1(CCc2ccccc21)[*:1])n1cccn1
CCOC(=O)[C@@]1(NC(=O)[C@H](C)n2cccn2)CCc2ccccc21 C[C@H](n1cccn1)[*:1] CCOC(=O)[C@]1(CCc2ccccc21)NC(=O)[*:1]
CCOC(=O)[C@@]1(NC(=O)[C@H](C)n2cccn2)CCc2ccccc21 c1cnn(c1)[*:1] CCOC(=O)[C@]1(CCc2ccccc21)NC(=O)[C@H](C)[*:1]
O=C(N[C@H]1C=C[C@@H](C(=O)[O-])C1)c1ccc(Br)cc1 O=C([O-])[*:1] O=C(N[C@H]1C=C[C@@H](C1)[*:1])c1ccc(Br)cc1
OC1=Nc2nc(N3CCOCC3)sc2[C@@H](c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] OC1C[C@H](c2sc(nc2N=1)N1CCOCC1)[*:1]
OC1=Nc2nc(N3CCOCC3)sc2[C@@H](c2ccc(Br)cc2)C1 C1CN(CCO1)[*:1] OC1C[C@H](c2ccc(Br)cc2)c2sc(nc2N=1)[*:1]
Cc1ccc(-n2nnc(C(=O)NCc3ccco3)c2N)cc1Cl c1coc(c1)C[*:1] Cc1ccc(cc1Cl)-n1nnc(C(=O)N[*:1])c1N
Cc1ccc(-n2nnc(C(=O)NCc3ccco3)c2N)cc1Cl c1coc(c1)[*:1] Cc1ccc(cc1Cl)-n1nnc(C(=O)NC[*:1])c1N
CCc1nnc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)s1 CCc1nnc(s1)[*:1] Cc1sc2nc(SCC(=O)N[*:1])n(C)c(=O)c2c1C
CC(C)NC(=O)C(=O)N1CCN([C@H](C)c2c(F)cccc2F)CC1 CC(C)[*:1] C[C@H](c1c(F)cccc1F)N1CCN(CC1)C(=O)C(=O)N[*:1]
CC(C)NC(=O)C(=O)N1CCN([C@H](C)c2c(F)cccc2F)CC1 Fc1cccc(F)c1[*:1] CC(C)NC(=O)C(=O)N1CCN(CC1)[C@H](C)[*:1]
N#C[C@H](C(=O)c1ccccc1Cl)C1[NH+]=c2ccccc2=[NH+]1 Clc1ccccc1[*:1] N#C[C@H](C(=O)[*:1])C1[NH+]=c2ccccc2=[NH+]1
C[C@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)C1=c2ccccc2=[NH+][C@@H]1C c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1C(=O)N[*:1])C(=O)C1=c2ccccc2=[NH+][C@@H]1C
C[C@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)C1=c2ccccc2=[NH+][C@@H]1C O=C(Nc1ccccc1)[*:1] C[C@H](Oc1ccccc1[*:1])C(=O)C1=c2ccccc2=[NH+][C@@H]1C
COC[C@@H](O)CN(C)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] COC[C@@H](O)CN(C)C(=O)c1nc(n2ccccc12)[*:1]
COC[C@@H](O)CN(C)C(=O)c1nc(C2CC2)n2ccccc12 COC[C@@H](O)[*:1] CN(C[*:1])C(=O)c1nc(C2CC2)n2ccccc12
COC[C@@H](O)CN(C)C(=O)c1nc(C2CC2)n2ccccc12 COC[*:1] CN(C[C@H](O)[*:1])C(=O)c1nc(C2CC2)n2ccccc12
COC[C@@H](O)CN(C)C(=O)c1nc(C2CC2)n2ccccc12 COC[C@@H](O)C[*:1] CN(C(=O)c1nc(C2CC2)n2ccccc12)[*:1]
Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N[*:1]
O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc[n+]([O-])c1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc[n+]([O-])c1
O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc[n+]([O-])c1 [O-][n+]1cccc(c1)[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)[*:1]
O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc2ccccc2s1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCCC[C@@H]1c1nc2ccccc2s1
O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc2ccccc2s1 c1ccc(cc1)OC[*:1] O=C(N1CCCC[C@@H]1c1nc2ccccc2s1)[*:1]
O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc2ccccc2s1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCCC[C@@H]1c1nc2ccccc2s1
C[C@H]1CCN(C(=O)NCc2noc(C(C)(C)C)n2)C[C@H]1O CC(C)(C)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCc1noc(n1)[*:1]
O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(Cc2ccccc2)o1 c1ccc(cc1)[*:1] O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(C[*:1])o1
O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(Cc2ccccc2)o1 c1ccc(cc1)C[*:1] O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(o1)[*:1]
O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(Cc2ccccc2)o1 Fc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1nnc(Cc2ccccc2)o1
O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1 Clc1ccc(cc1)[*:1] O=C(C[*:1])N(Cc1ccccc1)c1ccccn1
O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)[*:1]
O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(Cc1ccc(Cl)cc1)N(C[*:1])c1ccccn1
O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)C[*:1] O=C(Cc1ccc(Cl)cc1)N(c1ccccn1)[*:1]
O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1 Clc1ccc(cc1)C[*:1] O=C(N(Cc1ccccc1)c1ccccn1)[*:1]
Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 c1ccc(C[*:1])nc1 Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC(=O)N(C2)C[*:1])C1
Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 Cc1noc(C)c1[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)[*:1])CN1CCc1ccccn1
Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 c1ccc(nc1)[*:1] Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC(=O)N(CC[*:1])C2)C1
Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 c1ccc(CC[*:1])nc1 Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)N(Cc1ccc(cc1)C(=O)Nc1cccc(Cl)c1Cl)[*:1]
CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1 Clc1cccc(c1Cl)[*:1] CS(=O)(=O)N(Cc1ccc(cc1)C(=O)N[*:1])c1ccccc1
CCCn1c(SC[C@@H]2N=C[C@H](c3ccc(F)cc3)O2)n[nH]c1=O Fc1ccc(cc1)[*:1] CCCn1c(n[nH]c1=O)SC[C@@H]1N=C[C@H](O1)[*:1]
CCCn1c(SC[C@@H]2N=C[C@H](c3ccc(F)cc3)O2)n[nH]c1=O CCC[*:1] O=c1[nH]nc(SC[C@@H]2N=C[C@@H](O2)c2ccc(F)cc2)n1[*:1]
O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc1 O=C([O-])[*:1] O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H](C1)c1ccc(cc1)[*:1]
COc1ccccc1[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1[nH+]ccn1C O=[N+]([O-])[*:1] COc1ccccc1[C@@H](NCc1ccc(C)c(c1)[*:1])c1[nH+]ccn1C
COc1ccccc1[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1[nH+]ccn1C COc1ccccc1[*:1] Cc1ccc(cc1[N+](=O)[O-])CN[C@@H](c1[nH+]ccn1C)[*:1]
C[C@@H](Nc1cccc(C(N)=O)c1)C(=O)Nc1ccc(Cl)cc1Cl NC(=O)[*:1] C[C@@H](Nc1cccc(c1)[*:1])C(=O)Nc1ccc(Cl)cc1Cl
O=C(Cc1ccc(F)cc1F)N1CCN(C(=O)c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(Cc1ccc(F)cc1F)N1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccc(F)cc1F)N1CCN(C(=O)c2ccccc2O)CC1 Fc1ccc(c(F)c1)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccccc1O
Cc1ccc(-c2noc(-c3ccc(NCc4ccc(F)cc4)nn3)n2)cc1 Fc1ccc(cc1)CN[*:1] Cc1ccc(cc1)-c1noc(n1)-c1ccc(nn1)[*:1]
Cc1ccc(-c2noc(-c3ccc(NCc4ccc(F)cc4)nn3)n2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(n1)-c1ccc(nn1)NC[*:1]
Cc1ccc(-c2noc(-c3ccc(NCc4ccc(F)cc4)nn3)n2)cc1 Cc1ccc(cc1)[*:1] Fc1ccc(cc1)CNc1ccc(nn1)-c1nc(no1)[*:1]
Cc1ccc(-c2noc(-c3ccc(NCc4ccc(F)cc4)nn3)n2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1noc(n1)-c1ccc(nn1)N[*:1]
C[C@@H](C(=O)O[C@H](C)Cn1cccn1)N1CCc2ccccc2C1 c1cnn(c1)[*:1] C[C@@H](C(=O)O[C@H](C)C[*:1])N1CCc2ccccc2C1
C[C@@H](C(=O)O[C@H](C)Cn1cccn1)N1CCc2ccccc2C1 c1cnn(c1)C[*:1] C[C@@H](C(=O)O[C@H](C)[*:1])N1CCc2ccccc2C1
CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CCOc1cc(C=O)ccc1OCC(=O)N[*:1]
CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 CCO[*:1] O=Cc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(c1)[*:1]
Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1cc(Br)ccc1F)CC(=O)N2 Fc1ccc(Br)cc1[*:1] Cc1nn(-c2nc3ccccc3[nH]2)c2NC(=O)C[C@H](c12)[*:1]
Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1cc(Br)ccc1F)CC(=O)N2 c1ccc2[nH]c(nc2c1)[*:1] Cc1nn(c2NC(=O)C[C@H](c3cc(Br)ccc3F)c12)[*:1]
O=C([O-])CCC12CC3CC(CC(C3)C1)C2 O=C([O-])[*:1] C1C2CC3CC1CC(CC[*:1])(C2)C3
O=C([O-])CCC12CC3CC(CC(C3)C1)C2 O=C([O-])CC[*:1] C1C2CC3CC1CC(C2)(C3)[*:1]
O=C([O-])CCC12CC3CC(CC(C3)C1)C2 O=C([O-])C[*:1] C1C2CC3CC1CC(C2)(C3)C[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cn(nc1NC(=O)N1CCN(CC1)[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N1CCN(c2ccccc2)CC1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)N1CCN(CC1)c1ccccc1)[*:1]
CCCCC[C@@H](C)NC(=O)Cc1ccc(C)c(O)c1 CCC[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](C)CC[*:1]
CCCCC[C@@H](C)NC(=O)Cc1ccc(C)c(O)c1 CCCC[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](C)C[*:1]
CCCCC[C@@H](C)NC(=O)Cc1ccc(C)c(O)c1 CCCCC[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](C)[*:1]
COc1cc2s/c(=N\C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)n(C)c2cc1OC c1csc(c1)[*:1] COc1cc2s/c(=N\C(=O)[C@H]3CCCCN3S(=O)(=O)[*:1])n(C)c2cc1OC
C[C@H](Cc1ccccc1F)NC(=O)C(=O)Nc1ccc(Cl)cc1F Fc1ccccc1C[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)[*:1]
C[C@H](Cc1ccccc1F)NC(=O)C(=O)Nc1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] C[C@H](Cc1ccccc1F)NC(=O)C(=O)N[*:1]
C[C@H](Cc1ccccc1F)NC(=O)C(=O)Nc1ccc(Cl)cc1F Fc1ccccc1[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1ccc(Cl)cc1F
O=C(Nc1cccc2cnccc12)N(Cc1ccccc1F)C1CC1 C1CC1[*:1] O=C(Nc1cccc2cnccc12)N(Cc1ccccc1F)[*:1]
O=C(Nc1cccc2cnccc12)N(Cc1ccccc1F)C1CC1 Fc1ccccc1C[*:1] O=C(Nc1cccc2cnccc12)N(C1CC1)[*:1]
O=C(Nc1cccc2cnccc12)N(Cc1ccccc1F)C1CC1 Fc1ccccc1[*:1] O=C(Nc1cccc2cnccc12)N(C[*:1])C1CC1
CC[C@@H](C)[C@H](NC(=O)c1scnc1C1CC1)c1nc2ccccc2[nH]1 C1CC1[*:1] CC[C@@H](C)[C@H](NC(=O)c1scnc1[*:1])c1nc2ccccc2[nH]1
CC[C@@H](C)[C@H](NC(=O)c1scnc1C1CC1)c1nc2ccccc2[nH]1 c1nc(c(s1)[*:1])C1CC1 CC[C@@H](C)[C@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
CC[C@@H](C)[C@H](NC(=O)c1scnc1C1CC1)c1nc2ccccc2[nH]1 CC[C@@H](C)[*:1] O=C(N[C@H](c1nc2ccccc2[nH]1)[*:1])c1scnc1C1CC1
CSCc1cc(F)ccc1C[NH2+]Cc1ccoc1 CSC[*:1] Fc1ccc(C[NH2+]Cc2ccoc2)c(c1)[*:1]
CSCc1cc(F)ccc1C[NH2+]Cc1ccoc1 c1cc(co1)[*:1] CSCc1cc(F)ccc1C[NH2+]C[*:1]
CSCc1cc(F)ccc1C[NH2+]Cc1ccoc1 c1cc(co1)C[*:1] CSCc1cc(F)ccc1C[NH2+][*:1]
COC(=O)c1ccccc1CNc1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] COC(=O)c1ccccc1CNc1ccc(cc1)[*:1]
COC(=O)c1ccccc1CNc1ccc(N2CCOC2=O)cc1 COC(=O)[*:1] O=C1OCCN1c1ccc(cc1)NCc1ccccc1[*:1]
CCn1cc(C(=O)N[C@@H](C)C(=O)NCCC(C)C)c(=O)c2cc3c(cc21)OCO3 CC(C)C[*:1] CCn1cc(C(=O)N[C@@H](C)C(=O)NC[*:1])c(=O)c2cc3OCOc3cc21
CCn1cc(C(=O)N[C@@H](C)C(=O)NCCC(C)C)c(=O)c2cc3c(cc21)OCO3 CC(C)[*:1] CCn1cc(C(=O)N[C@@H](C)C(=O)NCC[*:1])c(=O)c2cc3OCOc3cc21
CCn1cc(C(=O)N[C@@H](C)C(=O)NCCC(C)C)c(=O)c2cc3c(cc21)OCO3 CC(C)CCNC(=O)[*:1] CCn1cc(C(=O)N[C@@H](C)[*:1])c(=O)c2cc3OCOc3cc21
CCn1cc(C(=O)N[C@@H](C)C(=O)NCCC(C)C)c(=O)c2cc3c(cc21)OCO3 CC(C)CC[*:1] CCn1cc(C(=O)N[C@@H](C)C(=O)N[*:1])c(=O)c2cc3OCOc3cc21
Cc1ccc2c(c1)C(=O)C(=O)N2C(C)C CC(C)[*:1] Cc1ccc2c(c1)C(=O)C(=O)N2[*:1]
CN(C)C(=O)CCc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 CN(C)C(=O)[*:1] O=C(COc1ccc2ccccc2c1Br)Nc1cccc(c1)CC[*:1]
CN(C)C(=O)CCc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 CN(C)C(=O)CC[*:1] O=C(COc1ccc2ccccc2c1Br)Nc1cccc(c1)[*:1]
CN(C)C(=O)CCc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 CN(C)C(=O)C[*:1] O=C(COc1ccc2ccccc2c1Br)Nc1cccc(c1)C[*:1]
C[C@@H](NC(=O)c1cccc(SCC#N)c1)[C@@H](C)N1CCOCC1 N#CCS[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])[C@@H](C)N1CCOCC1
C[C@@H](NC(=O)c1cccc(SCC#N)c1)[C@@H](C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)c1cccc(c1)SCC#N)[C@@H](C)[*:1]
C[C@@H](NC(=O)c1cccc(SCC#N)c1)[C@@H](C)N1CCOCC1 N#CC[*:1] C[C@@H](NC(=O)c1cccc(c1)S[*:1])[C@@H](C)N1CCOCC1
COCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(C)c([N+](=O)[O-])c2)C1=O COCC[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C/Nc1ccc(C)c(c1)[N+](=O)[O-])[*:1]
COCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(C)c([N+](=O)[O-])c2)C1=O COC[*:1] CC1=C(C#N)C(=O)N(C[*:1])C(=O)/C1=C/Nc1ccc(C)c(c1)[N+](=O)[O-]
COCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(C)c([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] COCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(C)c(c2)[*:1])C1=O
CC(C)c1ccc(CN(C)C(=O)[C@H](C)NC(=O)c2ccccc2Cl)cc1 CC(C)[*:1] C[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccc(cc1)[*:1]
CC(C)c1ccc(CN(C)C(=O)[C@H](C)NC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CC(C)c1ccc(cc1)CN(C)C(=O)[C@H](C)NC(=O)[*:1]
O=[N+]([O-])c1cc(N[C@@H]2C[C@@H](O)[C@H](O)CO2)cc(Sc2ccccc2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(cc(c1)S[*:1])N[C@@H]1C[C@@H](O)[C@H](O)CO1
O=[N+]([O-])c1cc(N[C@@H]2C[C@@H](O)[C@H](O)CO2)cc(Sc2ccccc2)c1 c1ccc(cc1)S[*:1] O=[N+]([O-])c1cc(cc(c1)[*:1])N[C@@H]1C[C@@H](O)[C@H](O)CO1
O=[N+]([O-])c1cc(N[C@@H]2C[C@@H](O)[C@H](O)CO2)cc(Sc2ccccc2)c1 O=[N+]([O-])[*:1] O[C@@H]1CO[C@@H](C[C@H]1O)Nc1cc(cc(c1)[*:1])Sc1ccccc1
C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)C(C)(C)C NC(=O)[*:1] C[C@@H]([NH2+]CCc1cccc(c1)[*:1])C(C)(C)C
C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)C(C)(C)C CC(C)(C)[*:1] C[C@@H]([NH2+]CCc1cccc(c1)C(N)=O)[*:1]
Cn1nccc1C(=O)Nc1ccc2ncsc2c1 Cn1nccc1[*:1] O=C(Nc1ccc2ncsc2c1)[*:1]
CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1ccc(Br)cc1C)CS2 Cc1cc(Br)ccc1[*:1] CCc1c(C)nc2SC[C@H](Cn2c1=O)C(=O)N[*:1]
O=C(Cn1c(=O)oc2ccccc21)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
O=C(Cn1c(=O)oc2ccccc21)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 O=c1oc2ccccc2n1[*:1] O=C(C[*:1])N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
C[C@@H](NC(=O)c1n[nH]c2c1CS(=O)(=O)CC2)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1n[nH]c2CCS(=O)(=O)Cc12)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2nc1N1CCCC1 C1CCN(C1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2nc1[*:1]
O=C1[C@H](NCc2nnc3n2CCCC3)CCN1c1ccccc1F Fc1ccccc1[*:1] O=C1[C@@H](CCN1[*:1])NCc1nnc2CCCCn21
COc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 COc1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)Nc1ccc2NC(=O)CCc2c1
CCNC(=O)c1cc(N(C)C2CCC(=O)CC2)cc[nH+]1 CCNC(=O)[*:1] CN(c1cc[nH+]c(c1)[*:1])C1CCC(=O)CC1
C[C@H]1c2cc3c(C(C)(C)C)coc3cc2OC(=O)[C@H]1CCC(=O)NCCc1c[nH+]c[nH]1 CC(C)(C)[*:1] C[C@H]1c2cc3c(coc3cc2OC(=O)[C@H]1CCC(=O)NCCc1c[nH+]c[nH]1)[*:1]
COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2ccco2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)CC(=O)n1nc(nc1N[*:1])-c1ccccc1
COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2ccco2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])n1nc(nc1NCc1ccco1)-c1ccccc1
COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2ccco2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)n1nc(nc1NCc1ccco1)[*:1]
COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2ccco2)cc1 c1coc(c1)CN[*:1] COc1ccc(cc1)CC(=O)n1nc(nc1[*:1])-c1ccccc1
COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2ccco2)cc1 COc1ccc(cc1)C[*:1] O=C(n1nc(nc1NCc1ccco1)-c1ccccc1)[*:1]
COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)CC(=O)n1nc(nc1NC[*:1])-c1ccccc1
Cc1ccc(/C=C/C(=O)NC[C@H](CC(C)C)[NH+](C)C)o1 CC(C)C[*:1] Cc1ccc(/C=C/C(=O)NC[C@H]([NH+](C)C)[*:1])o1
Cc1ccc(/C=C/C(=O)NC[C@H](CC(C)C)[NH+](C)C)o1 CC(C)[*:1] Cc1ccc(/C=C/C(=O)NC[C@H](C[*:1])[NH+](C)C)o1
Cc1ccc(/C=C/C(=O)NC[C@H](CC(C)C)[NH+](C)C)o1 Cc1ccc(o1)[*:1] CC(C)C[C@@H](CNC(=O)C=C[*:1])[NH+](C)C
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(c1nncs1)C3=O c1nnc(s1)[*:1] Cc1cc2oc3C(=O)N([C@H](c4ccc(Cl)cc4)c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(c1nncs1)C3=O Clc1ccc(cc1)[*:1] Cc1cc2oc3C(=O)N(c4nncs4)[C@H](c3c(=O)c2cc1C)[*:1]
C=CCn1c(C)cc(C(=O)COC(=O)c2cccc(I)c2)c1C C=CC[*:1] Cc1cc(C(=O)COC(=O)c2cccc(I)c2)c(C)n1[*:1]
C=CCn1c(C)cc(C(=O)COC(=O)c2cccc(I)c2)c1C Ic1cccc(c1)[*:1] C=CCn1c(C)cc(C(=O)COC(=O)[*:1])c1C
CCN(CC)C(=O)C[NH+]1CCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 CCN(CC)C(=O)C[*:1] CN(C)c1ncc(-c2cccc(Cl)c2)c(n1)C1CC[NH+](CC1)[*:1]
CCN(CC)C(=O)C[NH+]1CCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CCN(CC)C(=O)C[NH+]1CCC(CC1)c1nc(ncc1[*:1])N(C)C
CCN(CC)C(=O)C[NH+]1CCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 CCN(CC)C(=O)[*:1] CN(C)c1ncc(-c2cccc(Cl)c2)c(n1)C1CC[NH+](CC1)C[*:1]
CCN(CC)C(=O)C[NH+]1CCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 CN(C)[*:1] CCN(CC)C(=O)C[NH+]1CCC(CC1)c1nc(ncc1-c1cccc(Cl)c1)[*:1]
O=C([C@@H]1CCCN1C(=O)C[C@H](O)c1ccc(Cl)cc1)N1CCOCC1 Clc1ccc(cc1)[*:1] O=C([C@@H]1CCCN1C(=O)C[C@H](O)[*:1])N1CCOCC1
O=C([C@@H]1CCCN1C(=O)C[C@H](O)c1ccc(Cl)cc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCC[C@H]1[*:1]
C[C@@H](c1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)[O-])CS1 O=C([O-])[*:1] C[C@@H](c1ccccc1)[C@@H]1[NH2+][C@@H](CS1)[*:1]
COc1ccccc1-c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)o1 COc1ccccc1[*:1] O=C([C@@H](Sc1nnc(o1)[*:1])c1ccccc1)N1CCCC1
COc1ccccc1-c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)o1 O=C(N1CCCC1)[*:1] COc1ccccc1-c1nnc(o1)S[C@H](c1ccccc1)[*:1]
COc1ccccc1-c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)o1 c1ccc(cc1)[*:1] COc1ccccc1-c1nnc(o1)S[C@H](C(=O)N1CCCC1)[*:1]
O=C1CCCC[C@@H]1Sc1nccn1-c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCC[C@@H]1Sc1nccn1[*:1]
Cc1cccc(OC[C@H](O)CNC(=O)Nc2c(C)cccc2C)c1 Cc1cccc(C)c1[*:1] Cc1cccc(c1)OC[C@H](O)CNC(=O)N[*:1]
Cc1cccc(OC[C@H](O)CNC(=O)Nc2c(C)cccc2C)c1 Cc1cccc(c1)[*:1] Cc1cccc(C)c1NC(=O)NC[C@@H](O)CO[*:1]
Cc1cccc(OC[C@H](O)CNC(=O)Nc2c(C)cccc2C)c1 Cc1cccc(c1)O[*:1] Cc1cccc(C)c1NC(=O)NC[C@@H](O)C[*:1]
O=C(c1ccc(CS(=O)(=O)c2ccc3ccccc3c2)cc1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(Cc1ccc(cc1)[*:1])c1ccc2ccccc2c1
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1cc2ccccc2oc1=O O=c1oc2ccccc2cc1[*:1] O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)[*:1]
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1cc2ccccc2oc1=O c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccncc2)n1C[*:1])c1cc2ccccc2oc1=O
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1cc2ccccc2oc1=O c1ccc(cc1)C[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])c1cc2ccccc2oc1=O
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1cc2ccccc2oc1=O c1cc(ccn1)[*:1] O=C(CSc1nnc(n1Cc1ccccc1)[*:1])c1cc2ccccc2oc1=O
C[C@H](CN1CCOCC1)C(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 CN(C)[*:1] C[C@H](CN1CCOCC1)C(=O)N1CCC(CC1)c1cc2nc(ncc2c(=O)[nH]1)[*:1]
C[C@H](CN1CCOCC1)C(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 C1CN(CCO1)C[*:1] C[C@H](C(=O)N1CCC(CC1)c1cc2nc(ncc2c(=O)[nH]1)N(C)C)[*:1]
C[C@H](CN1CCOCC1)C(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 C1CN(CCO1)[*:1] C[C@H](C[*:1])C(=O)N1CCC(CC1)c1cc2nc(ncc2c(=O)[nH]1)N(C)C
C[C@H](NC(=O)N[C@@H]1C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] C[C@H](NC(=O)N[C@@H]1C[C@H]1C)c1ccc(cc1)[*:1]
C[C@H](NC(=O)N[C@@H]1C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 C[C@@H]1C[C@H]1[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)S(=O)(=O)N(C)C
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-n2cccn2)cc1)c1ccccc1 c1cnn(c1)[*:1] C[C@@H](NC(=O)/C(C#N)=C/c1ccc(cc1)[*:1])c1ccccc1
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-n2cccn2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)/C(C#N)=C/c1ccc(cc1)-n1cccn1)[*:1]
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-n2cccn2)cc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] N#C/C(=C\c1ccc(cc1)-n1cccn1)C(=O)N[*:1]
COc1cccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c1 COc1cccc(c1)[*:1] Cc1noc(C)c1COc1cccc(c1)C(=O)N[*:1]
COc1cccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c1 Cc1noc(C)c1[*:1] COc1cccc(c1)NC(=O)c1cccc(c1)OC[*:1]
COc1cccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c1 Cc1noc(C)c1C[*:1] COc1cccc(c1)NC(=O)c1cccc(c1)O[*:1]
Cc1csc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])n1 Cc1csc(n1)[*:1] O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N[*:1]
Cc1csc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])n1 O=C([O-])[*:1] Cc1csc(n1)NC(=O)[C@@H]1CC=CC[C@@H]1[*:1]
COc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)cc(Br)c1OC(C)C CC(C)O[*:1] COc1cc(cc(Br)c1[*:1])[C@H]1NC(=S)NC(=C1C(C)=O)c1ccccc1
COc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)cc(Br)c1OC(C)C c1ccc(cc1)[*:1] COc1cc(cc(Br)c1OC(C)C)[C@H]1NC(=S)NC(=C1C(C)=O)[*:1]
COc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)cc(Br)c1OC(C)C CC(=O)[*:1] COc1cc(cc(Br)c1OC(C)C)[C@H]1NC(=S)NC(=C1[*:1])c1ccccc1
COc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)cc(Br)c1OC(C)C CC(C)[*:1] COc1cc(cc(Br)c1O[*:1])[C@H]1NC(=S)NC(=C1C(C)=O)c1ccccc1
COc1ccc(CNC(=O)[C@@H](CC(C)C)N2CCCCC2=O)cc1C CC(C)[*:1] COc1ccc(cc1C)CNC(=O)[C@@H](C[*:1])N1CCCCC1=O
COc1ccc(CNC(=O)[C@@H](CC(C)C)N2CCCCC2=O)cc1C CC(C)C[*:1] COc1ccc(cc1C)CNC(=O)[C@@H](N1CCCCC1=O)[*:1]
COc1ccc(CNC(=O)[C@@H](CC(C)C)N2CCCCC2=O)cc1C O=C1CCCCN1[*:1] COc1ccc(cc1C)CNC(=O)[C@@H](CC(C)C)[*:1]
COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1C Cc1c(Cl)cccc1[*:1] COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)N[*:1]
COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1C COc1ccccc1[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nnnn1[*:1]
CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccsc1 c1cc(cs1)C[*:1] CN(Cc1cccc(c1)C(F)(F)F)C(=O)N[*:1]
CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccsc1 FC(F)(F)[*:1] CN(Cc1cccc(c1)[*:1])C(=O)NCc1ccsc1
CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccsc1 c1cc(cs1)[*:1] CN(Cc1cccc(c1)C(F)(F)F)C(=O)NC[*:1]
Cc1ccnc(-c2ccc(Nc3nccn(C)c3=O)cc2)n1 Cc1ccnc(n1)[*:1] Cn1ccnc(Nc2ccc(cc2)[*:1])c1=O
CN(Cc1cnc2ccccn12)C(=O)c1cc(NC=O)cc2nc(Cc3ccccc3)n(C)c12 c1ccc(cc1)C[*:1] CN(Cc1cnc2ccccn12)C(=O)c1cc(cc2nc(n(C)c12)[*:1])NC=O
CN(Cc1cnc2ccccn12)C(=O)c1cc(NC=O)cc2nc(Cc3ccccc3)n(C)c12 c1ccc(cc1)[*:1] CN(Cc1cnc2ccccn12)C(=O)c1cc(cc2nc(C[*:1])n(C)c12)NC=O
CN(Cc1cnc2ccccn12)C(=O)c1cc(NC=O)cc2nc(Cc3ccccc3)n(C)c12 c1ccn2c(cnc2c1)[*:1] CN(C[*:1])C(=O)c1cc(cc2nc(Cc3ccccc3)n(C)c12)NC=O
CN(Cc1cnc2ccccn12)C(=O)c1cc(NC=O)cc2nc(Cc3ccccc3)n(C)c12 O=CN[*:1] CN(Cc1cnc2ccccn12)C(=O)c1cc(cc2nc(Cc3ccccc3)n(C)c12)[*:1]
CN(Cc1cnc2ccccn12)C(=O)c1cc(NC=O)cc2nc(Cc3ccccc3)n(C)c12 c1ccn2c(cnc2c1)C[*:1] CN(C(=O)c1cc(cc2nc(Cc3ccccc3)n(C)c12)NC=O)[*:1]
Cc1ccc(Oc2ccccc2NC(=O)c2cccc(OCC(N)=O)c2)cc1 Cc1ccc(cc1)O[*:1] NC(=O)COc1cccc(c1)C(=O)Nc1ccccc1[*:1]
Cc1ccc(Oc2ccccc2NC(=O)c2cccc(OCC(N)=O)c2)cc1 NC(=O)[*:1] Cc1ccc(cc1)Oc1ccccc1NC(=O)c1cccc(c1)OC[*:1]
Cc1ccc(Oc2ccccc2NC(=O)c2cccc(OCC(N)=O)c2)cc1 Cc1ccc(cc1)[*:1] NC(=O)COc1cccc(c1)C(=O)Nc1ccccc1O[*:1]
Cc1ccc(Oc2ccccc2NC(=O)c2cccc(OCC(N)=O)c2)cc1 NC(=O)C[*:1] Cc1ccc(cc1)Oc1ccccc1NC(=O)c1cccc(c1)O[*:1]
Cc1ccc(Oc2ccccc2NC(=O)c2cccc(OCC(N)=O)c2)cc1 NC(=O)CO[*:1] Cc1ccc(cc1)Oc1ccccc1NC(=O)c1cccc(c1)[*:1]
O=C(Cc1cccc(CNC(=O)c2nn(-c3ccccc3)c3c2COC3)c1)NC1CCCC1 O=C(C[*:1])NC1CCCC1 O=C(NCc1cccc(c1)[*:1])c1nn(-c2ccccc2)c2COCc12
O=C(Cc1cccc(CNC(=O)c2nn(-c3ccccc3)c3c2COC3)c1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cc1cccc(c1)CNC(=O)c1nn(-c2ccccc2)c2COCc12)N[*:1]
O=C(Cc1cccc(CNC(=O)c2nn(-c3ccccc3)c3c2COC3)c1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C(NCc1cccc(c1)C[*:1])c1nn(-c2ccccc2)c2COCc12
O=C(Cc1cccc(CNC(=O)c2nn(-c3ccccc3)c3c2COC3)c1)NC1CCCC1 c1ccc(cc1)[*:1] O=C(Cc1cccc(c1)CNC(=O)c1nn(c2COCc12)[*:1])NC1CCCC1
CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H]2CCCC[C@H]2C1 CC(C)[*:1] O=C(NC[C@@H]1CCO[C@H]1[*:1])N1C[C@H]2CCCC[C@H]2C1
CCO[C@@H]1C[C@H]1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 CCO[*:1] O=C([C@@H]1C[C@H]1[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
CC1=CN2N=C(C(=O)N3CCC[C@H](c4cc(=O)[nH]cn4)C3)[C@@H](Cl)[C@@H]2N=C1 O=c1cc(nc[nH]1)[*:1] CC1C=N[C@H]2[C@H](Cl)C(=NN2C=1)C(=O)N1CCC[C@H](C1)[*:1]
[NH3+]CCCCCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 [NH3+]CC[*:1] O=C(CCC[*:1])N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2
[NH3+]CCCCCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 [NH3+]CCCC[*:1] O=C(C[*:1])N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2
[NH3+]CCCCCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 [NH3+]CCCCC[*:1] O=C(N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)[*:1]
[NH3+]CCCCCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 [NH3+]CCC[*:1] O=C(CC[*:1])N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2
CC(=O)Nc1ccc(C)cc1NC(=O)CCNC(=O)C1CCCCC1 C1CCC(CC1)[*:1] CC(=O)Nc1ccc(C)cc1NC(=O)CCNC(=O)[*:1]
CC(=O)Nc1ccc(C)cc1NC(=O)CCNC(=O)C1CCCCC1 CC(=O)N[*:1] Cc1ccc(c(c1)NC(=O)CCNC(=O)C1CCCCC1)[*:1]
Cc1ccc(-c2n[nH]c(SC[C@H]3CCCO3)n2)cc1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)SC[*:1]
Cc1ccc(-c2n[nH]c(SC[C@H]3CCCO3)n2)cc1 C1CO[C@H](C1)C[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)S[*:1]
Cc1cnc(C(C)(C)NC(=O)c2csc(-c3ccoc3)n2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)c1csc(n1)-c1ccoc1)[*:1]
Cc1cnc(C(C)(C)NC(=O)c2csc(-c3ccoc3)n2)s1 c1cc(co1)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)c1csc(n1)[*:1]
CN(C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)C1CCOCC1 CC(C)(C)[*:1] CN(C(=O)[C@@H]1CSCN1C(=O)[*:1])C1CCOCC1
CN(C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)[*:1]
Cc1nc2c(s1)[C@H](N[C@H]1CCN(c3ccc(Cl)cc3)C1=O)CCC2 Clc1ccc(cc1)[*:1] Cc1nc2CCC[C@@H](N[C@H]3CCN(C3=O)[*:1])c2s1
CCCSc1nc(C)[nH]c1[N+](=O)[O-] CCC[*:1] Cc1nc(S[*:1])c([nH]1)[N+](=O)[O-]
CCCSc1nc(C)[nH]c1[N+](=O)[O-] CCCS[*:1] Cc1nc(c([nH]1)[N+](=O)[O-])[*:1]
CCCSc1nc(C)[nH]c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCSc1nc(C)[nH]c1[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)c1nccs1 C[C@@H](c1nccs1)[*:1] CCCNc1cc(C)ccc1C(=O)N[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)c1nccs1 CCCN[*:1] Cc1ccc(C(=O)N[C@@H](C)c2nccs2)c(c1)[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)c1nccs1 CCC[*:1] Cc1ccc(C(=O)N[C@@H](C)c2nccs2)c(c1)N[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)c1nccs1 c1csc(n1)[*:1] CCCNc1cc(C)ccc1C(=O)N[C@@H](C)[*:1]
COc1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1c(nnn1-c1cccc(c1)C(F)(F)F)C(=O)N[*:1]
COc1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl FC(F)(F)[*:1] COc1ccc(cc1Cl)NC(=O)c1nnn(-c2cccc(c2)[*:1])c1C
Cc1nnc(SC[C@@H](O)COc2ccc3ccccc3c2)s1 Cc1nnc(s1)[*:1] O[C@@H](COc1ccc2ccccc2c1)CS[*:1]
Cc1nnc(SC[C@@H](O)COc2ccc3ccccc3c2)s1 Cc1nnc(S[*:1])s1 O[C@@H](COc1ccc2ccccc2c1)C[*:1]
Cc1ccccc1NC(=O)C[NH+](CC(F)(F)F)C(C)C CC(C)[*:1] Cc1ccccc1NC(=O)C[NH+](CC(F)(F)F)[*:1]
Cc1ccccc1NC(=O)C[NH+](CC(F)(F)F)C(C)C FC(F)(F)[*:1] Cc1ccccc1NC(=O)C[NH+](C[*:1])C(C)C
CSc1ncc(C(=O)NNC(=O)c2ccco2)n1-c1ccccc1 c1coc(c1)[*:1] CSc1ncc(C(=O)NNC(=O)[*:1])n1-c1ccccc1
CSc1ncc(C(=O)NNC(=O)c2ccco2)n1-c1ccccc1 c1ccc(cc1)[*:1] CSc1ncc(C(=O)NNC(=O)c2ccco2)n1[*:1]
O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)Nc1ccc(F)cc1 Brc1ccc(cc1)[*:1] O=C(CSc1ccc(nn1)[*:1])Nc1ccc(F)cc1
O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1ccc(nn1)-c1ccc(Br)cc1)N[*:1]
C=CCOc1ccc(/C=C(\C#N)c2nc([O-])c3ccccc3n2)cc1OC C=CC[*:1] COc1cc(/C=C(\C#N)c2nc([O-])c3ccccc3n2)ccc1O[*:1]
C=CCOc1ccc(/C=C(\C#N)c2nc([O-])c3ccccc3n2)cc1OC C=CCO[*:1] COc1cc(/C=C(\C#N)c2nc([O-])c3ccccc3n2)ccc1[*:1]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1 O=C(OC[C@@H]1CCCO1)[*:1] CC1Nc2nc3ccccc3n2[C@H](C=1[*:1])c1ccccc1[N+](=O)[O-]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1 C1CO[C@@H](C1)[*:1] CC1Nc2nc3ccccc3n2[C@H](C=1C(=O)OC[*:1])c1ccccc1[N+](=O)[O-]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1 O=[N+]([O-])c1ccccc1[*:1] CC1Nc2nc3ccccc3n2[C@@H](C=1C(=O)OC[C@@H]1CCCO1)[*:1]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1 O=[N+]([O-])[*:1] CC1Nc2nc3ccccc3n2[C@H](C=1C(=O)OC[C@@H]1CCCO1)c1ccccc1[*:1]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1 C1CO[C@@H](C1)C[*:1] CC1Nc2nc3ccccc3n2[C@H](C=1C(=O)O[*:1])c1ccccc1[N+](=O)[O-]
Cc1nnc([C@H]2CCCCC[C@@H]2[NH3+])n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nnc([C@H]2CCCCC[C@@H]2[NH3+])n1[*:1]
Cc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC2CC2)N3C(=O)c2ccccc2)cc1 C1CC1[*:1] Cc1ccc(cc1)C(=O)N1CCC2(CC1)OC[C@@H](C(=O)N[*:1])N2C(=O)c1ccccc1
Cc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC2CC2)N3C(=O)c2ccccc2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)C(=O)N1CCC2(CC1)OC[C@@H](N2C(=O)c1ccccc1)[*:1]
Cc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC2CC2)N3C(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CC1)[C@@H]1COC2(CCN(CC2)C(=O)[*:1])N1C(=O)c1ccccc1
Cc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC2CC2)N3C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NC1CC1)N2C(=O)[*:1]
O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1ccc(=O)oc1 O=c1ccc(co1)[*:1] O=C(NCc1cc(on1)-c1ccc(F)cc1F)[*:1]
O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1ccc(=O)oc1 Fc1ccc(c(F)c1)[*:1] O=C(NCc1cc(on1)[*:1])c1ccc(=O)oc1
C[C@]1(C(=O)NCc2ccc(C(=O)[O-])o2)CCC[NH2+]C1 O=C([O-])[*:1] C[C@@]1(CCC[NH2+]C1)C(=O)NCc1ccc(o1)[*:1]
CCOc1ccc(C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
CCOc1ccc(C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
CS(=O)(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O CS(=O)(=O)N[*:1] O=C1[C@H](CCN1c1ccc(Cl)c(F)c1)[*:1]
O=C(CSc1nnc(C2CC2)s1)Nc1ccc(F)cc1F C1CC1[*:1] O=C(CSc1nnc(s1)[*:1])Nc1ccc(F)cc1F
Cn1c(SCc2ccc(F)c(F)c2)nc(C(C)(C)C)cc1=O CC(C)(C)[*:1] Cn1c(nc(cc1=O)[*:1])SCc1ccc(F)c(F)c1
COc1cccc(C(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)c1OC Clc1ccccc1[*:1] COc1cccc(C(=O)N(C)[C@@]2(CCCCC2=O)[*:1])c1OC
C[C@@H](NS(N)(=O)=O)c1ccc(-c2ccc(F)cc2)cc1 NS(=O)(=O)N[*:1] C[C@@H](c1ccc(cc1)-c1ccc(F)cc1)[*:1]
CC(C)(C)[NH2+]CC(=O)N1CCCC[C@H]1CO CC(C)(C)[*:1] O=C(C[NH2+][*:1])N1CCCC[C@H]1CO
CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br O=[N+]([O-])[*:1] CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(cc2Cl)[*:1])cc1Br
CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br CC(=O)O[*:1] N#C/C(=C\c1ccc(c(Br)c1)[*:1])C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]
COc1cccc(-n2c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nnc2-c2ccncc2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)-n1c(nnc1[*:1])SCC(=O)N[C@@H]1CCCC[C@@H]1C
COc1cccc(-n2c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nnc2-c2ccncc2)c1 COc1cccc(c1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccncc2)n1[*:1]
N#Cc1ccc(Cn2cnc(NC(=O)NCC3CC3)n2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)Cn1cnc(n1)NC(=O)NC[*:1]
N#Cc1ccc(Cn2cnc(NC(=O)NCC3CC3)n2)cc1 C1CC1C[*:1] N#Cc1ccc(cc1)Cn1cnc(n1)NC(=O)N[*:1]
CCC[NH2+][C@@H](c1ccc2c(c1)CCCO2)[C@]1(C)CCCO1 CCC[*:1] C[C@]1(CCCO1)[C@@H]([NH2+][*:1])c1ccc2OCCCc2c1
O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 Fc1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1ccc(c(c1)NC[C@@H]1CCCO1)[N+](=O)[O-])[*:1]
O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)c1ccc(c(c1)NC[C@@H]1CCCO1)[*:1]
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(C2SCCCS2)cc1 C1CN(CCO1)[*:1] O=C(NC[C@@H](c1ccc(F)cc1)[*:1])c1ccc(cc1)C1SCCCS1
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(C2SCCCS2)cc1 C1CSC(SC1)[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(cc1)[*:1]
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(C2SCCCS2)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1ccc(cc1)C1SCCCS1
CCC(=O)N1CCC([C@H](NC(=O)c2cccc(C)c2)C(=O)N(CC)CC)CC1 Cc1cccc(c1)[*:1] CCC(=O)N1CCC(CC1)[C@H](NC(=O)[*:1])C(=O)N(CC)CC
CCC(=O)N1CCC([C@H](NC(=O)c2cccc(C)c2)C(=O)N(CC)CC)CC1 CCN(CC)C(=O)[*:1] CCC(=O)N1CCC(CC1)[C@H](NC(=O)c1cccc(C)c1)[*:1]
C[C@H](C(=O)N1CCC(n2cncn2)CC1)[NH+]1CCCCCC1 c1ncn(n1)[*:1] C[C@H](C(=O)N1CCC(CC1)[*:1])[NH+]1CCCCCC1
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCN2CCOCC2)cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)C(=O)N/C(=C\c1cccs1)C(=O)N[*:1]
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)C(=O)N/C(=C\c1cccs1)C(=O)NCC[*:1]
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCN2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)/C(=C/c1cccs1)NC(=O)[*:1]
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)C(=O)N/C(=C\c1cccs1)C(=O)NC[*:1]
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCN2CCOCC2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)C(=O)NC(=C[*:1])C(=O)NCCN1CCOCC1
Cc1ccc(CNC(=O)c2csc(Nc3cccnc3)n2)cc1 c1cncc(c1)N[*:1] Cc1ccc(cc1)CNC(=O)c1csc(n1)[*:1]
Cc1ccc(CNC(=O)c2csc(Nc3cccnc3)n2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)CNC(=O)c1csc(n1)N[*:1]
Cc1ccc(CNC(=O)c2csc(Nc3cccnc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1csc(n1)Nc1cccnc1
Cc1ccc(NCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1C Cc1ccc(cc1C)[*:1] Cc1c(/C=N/NC(=O)CN[*:1])c2ccccc2n1C
CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 COC(=O)[*:1] CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2cccc(c2)[*:1])c1
CCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C(C)=O)c2)n1 CC(=O)[*:1] CCc1cc(=O)[nH]c(n1)SCC(=O)Nc1cccc(c1)[*:1]
CC(C)OC[C@@H]([NH3+])[C@H]1CCc2ccccc2C1 CC(C)OC[*:1] [NH3+][C@@H]([C@H]1CCc2ccccc2C1)[*:1]
CC(C)OC[C@@H]([NH3+])[C@H]1CCc2ccccc2C1 CC(C)[*:1] [NH3+][C@H](CO[*:1])[C@H]1CCc2ccccc2C1
CC(C)OC[C@@H]([NH3+])[C@H]1CCc2ccccc2C1 CC(C)O[*:1] [NH3+][C@H](C[*:1])[C@H]1CCc2ccccc2C1
O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1cccs1 c1csc(c1)[*:1] O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NC[*:1]
O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1cccs1 c1csc(c1)C[*:1] O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N[*:1]
C[C@H](NC(=O)CCc1ccco1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NC(=O)CCc1ccco1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CCc1ccco1)c1ccc(-n2ccnc2)cc1 c1coc(c1)C[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-n1ccnc1
C[C@H](NC(=O)CCc1ccco1)c1ccc(-n2ccnc2)cc1 c1coc(c1)[*:1] C[C@H](NC(=O)CC[*:1])c1ccc(cc1)-n1ccnc1
C[C@H](NC(=O)CCc1ccco1)c1ccc(-n2ccnc2)cc1 c1coc(c1)CC[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-n1ccnc1
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N1N=C(c2cccs2)C[C@H]1c1cccs1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Cn1cnc(n1)[*:1])N1N=C(C[C@H]1c1cccs1)c1cccs1
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N1N=C(c2cccs2)C[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(Cn1cnc(n1)-c1cccc(c1)[N+](=O)[O-])N1N=C(C[C@@H]1[*:1])c1cccs1
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N1N=C(c2cccs2)C[C@H]1c1cccs1 O=[N+]([O-])[*:1] O=C(Cn1cnc(n1)-c1cccc(c1)[*:1])N1N=C(C[C@H]1c1cccs1)c1cccs1
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N1N=C(c2cccs2)C[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(Cn1cnc(n1)-c1cccc(c1)[N+](=O)[O-])N1N=C(C[C@H]1c1cccs1)[*:1]
CCS(=O)(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 CCS(=O)(=O)N[*:1] O=C(Cc1ccc(cc1)[*:1])NCC(F)(F)F
CCS(=O)(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 FC(F)(F)[*:1] CCS(=O)(=O)Nc1ccc(cc1)CC(=O)NC[*:1]
CCS(=O)(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 FC(F)(F)C[*:1] CCS(=O)(=O)Nc1ccc(cc1)CC(=O)N[*:1]
CSCCCNC(=O)N(C1CC1)[C@H](C)c1ccco1 c1coc(c1)[*:1] CSCCCNC(=O)N(C1CC1)[C@H](C)[*:1]
CSCCCNC(=O)N(C1CC1)[C@H](C)c1ccco1 C1CC1[*:1] CSCCCNC(=O)N([C@H](C)c1ccco1)[*:1]
CSCCCNC(=O)N(C1CC1)[C@H](C)c1ccco1 CSC[*:1] C[C@H](c1ccco1)N(C(=O)NCC[*:1])C1CC1
CSCCCNC(=O)N(C1CC1)[C@H](C)c1ccco1 CSCC[*:1] C[C@H](c1ccco1)N(C(=O)NC[*:1])C1CC1
CSCCCNC(=O)N(C1CC1)[C@H](C)c1ccco1 CSCCC[*:1] C[C@H](c1ccco1)N(C(=O)N[*:1])C1CC1
NC(=O)N/N=C/c1c(-c2ccccc2)cc2ccccn12 c1ccc(cc1)[*:1] NC(=O)N/N=C/c1c(cc2ccccn12)[*:1]
NC(=O)N/N=C/c1c(-c2ccccc2)cc2ccccn12 NC(=O)NN=C[*:1] c1ccc(cc1)-c1cc2ccccn2c1[*:1]
O=C(CCNS(=O)(=O)c1ccccc1F)Nc1ccc2c(c1)COC2 Fc1ccccc1[*:1] O=C(CCNS(=O)(=O)[*:1])Nc1ccc2COCc2c1
Cc1cccc(C2=CCN(C(=O)CNC(=O)NC3CCCCC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCC(=O)N1CC=C(CC1)[*:1])NC1CCCCC1
Cc1cccc(C2=CCN(C(=O)CNC(=O)NC3CCCCC3)CC2)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)CNC(=O)N[*:1]
C[NH2+][C@@H](CC[C@@H]1CCCCO1)c1cc(C)c(F)cc1F C1CC[C@H](OC1)[*:1] C[NH2+][C@@H](CC[*:1])c1cc(C)c(F)cc1F
C[C@@H](CNc1cccc(F)c1C(=O)[O-])[NH+]1CCCCC1 O=C([O-])[*:1] C[C@@H](CNc1cccc(F)c1[*:1])[NH+]1CCCCC1
NC(=O)C[C@@H](NC(=O)c1ccc(N2CCCCCC2)nc1)C1CCCCC1 C1CCC(CC1)[*:1] NC(=O)C[C@@H](NC(=O)c1ccc(nc1)N1CCCCCC1)[*:1]
NC(=O)C[C@@H](NC(=O)c1ccc(N2CCCCCC2)nc1)C1CCCCC1 NC(=O)C[*:1] O=C(N[C@@H](C1CCCCC1)[*:1])c1ccc(nc1)N1CCCCCC1
NC(=O)C[C@@H](NC(=O)c1ccc(N2CCCCCC2)nc1)C1CCCCC1 C1CCCN(CC1)[*:1] NC(=O)C[C@@H](NC(=O)c1ccc(nc1)[*:1])C1CCCCC1
NC(=O)C[C@@H](NC(=O)c1ccc(N2CCCCCC2)nc1)C1CCCCC1 NC(=O)[*:1] O=C(N[C@H](C[*:1])C1CCCCC1)c1ccc(nc1)N1CCCCCC1
COC(=O)C1=C(C)C(C(=O)O[C@@H](C)C(=O)c2ccccc2)=N[C@H]1C O=C(c1ccccc1)[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)O[C@@H](C)[*:1]
COC(=O)C1=C(C)C(C(=O)O[C@@H](C)C(=O)c2ccccc2)=N[C@H]1C c1ccc(cc1)[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)O[C@@H](C)C(=O)[*:1]
COC(=O)C1=C(C)C(C(=O)O[C@@H](C)C(=O)c2ccccc2)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)O[C@@H](C)C(=O)c1ccccc1
COc1ccc2c(c1)OC[C@H](CNC(=O)CCN1CCCCCC1=O)C2 O=C1CCCCCN1[*:1] COc1ccc2C[C@@H](CNC(=O)CC[*:1])COc2c1
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 C=CCNS(=O)(=O)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1ccc(cc1)[*:1]
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 C=CC[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
NC(=O)c1ccc(N2CCN(Cc3ccc(F)cc3F)CC2)cc1 Fc1ccc(c(F)c1)[*:1] NC(=O)c1ccc(cc1)N1CCN(CC1)C[*:1]
NC(=O)c1ccc(N2CCN(Cc3ccc(F)cc3F)CC2)cc1 NC(=O)[*:1] Fc1ccc(CN2CCN(CC2)c2ccc(cc2)[*:1])c(F)c1
CN(C)S(=O)(=O)c1ccc(OC(=O)c2cc(C3CC3)[nH]n2)cc1 C1CC1[*:1] CN(C)S(=O)(=O)c1ccc(cc1)OC(=O)c1cc([nH]n1)[*:1]
CN(C)S(=O)(=O)c1ccc(OC(=O)c2cc(C3CC3)[nH]n2)cc1 CN(C)S(=O)(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1cc([nH]n1)C1CC1
C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](OC(=O)C1CCC(=O)N(N=1)[C@H]1CCS(=O)(=O)C1)C(=O)N[*:1]
Cc1ccc2c(COC(=O)c3cccc(O)c3)cc(=O)oc2c1C Oc1cccc(c1)[*:1] Cc1ccc2c(cc(=O)oc2c1C)COC(=O)[*:1]
CCC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)C1CC1 CCC[C@@H](C1CC1)[*:1] Cn1ccc(n1)N1CCC[C@H]([NH2+][*:1])C1=O
CCC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)C1CC1 C1CC1[*:1] CCC[C@@H]([NH2+][C@H]1CCCN(C1=O)c1ccn(C)n1)[*:1]
CCC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)C1CC1 CCC[*:1] Cn1ccc(n1)N1CCC[C@H]([NH2+][C@@H](C2CC2)[*:1])C1=O
CCC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)C1CC1 Cn1ccc(n1)[*:1] CCC[C@@H]([NH2+][C@H]1CCCN(C1=O)[*:1])C1CC1
O=C(NCc1ccc(Cl)cc1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1cc(NC(=O)C2CC2)n(n1)-c1ccccc1
O=C(NCc1ccc(Cl)cc1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 Clc1ccc(cc1)C[*:1] O=C(N[*:1])c1cc(NC(=O)C2CC2)n(n1)-c1ccccc1
O=C(NCc1ccc(Cl)cc1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)c1cc(NC(=O)C2CC2)n(n1)[*:1]
O=C(NCc1ccc(Cl)cc1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 C1CC1[*:1] O=C(NCc1ccc(Cl)cc1)c1cc(NC(=O)[*:1])n(n1)-c1ccccc1
O=C(NCc1ccc(Cl)cc1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 O=C(N[*:1])C1CC1 O=C(NCc1ccc(Cl)cc1)c1cc(n(n1)-c1ccccc1)[*:1]
C[C@@H]1CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)C[C@@H](C)O1 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1nnc(n1C1CC1)[*:1]
C[C@@H]1CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)C[C@@H](C)O1 C1CC1[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1[*:1]
CCC[NH2+]C[C@@H](C)Oc1ccc(C(C)C)cc1 CC(C)[*:1] CCC[NH2+]C[C@@H](C)Oc1ccc(cc1)[*:1]
CCC[NH2+]C[C@@H](C)Oc1ccc(C(C)C)cc1 CCC[*:1] CC(C)c1ccc(cc1)O[C@H](C)C[NH2+][*:1]
Cc1ccccc1SCc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1SCc1nnnn1[*:1]
Cc1nnc(NC(=O)Cc2ccc(-n3cccn3)cc2)s1 Cc1nnc(s1)[*:1] O=C(Cc1ccc(cc1)-n1cccn1)N[*:1]
Cc1nnc(NC(=O)Cc2ccc(-n3cccn3)cc2)s1 c1cnn(c1)[*:1] Cc1nnc(NC(=O)Cc2ccc(cc2)[*:1])s1
CCOC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccc(OC)cc4)nc3c2)C1 COc1ccc(cc1)[*:1] CCOC(=O)[C@H]1CC(=O)N(C1)c1ccc2oc(nc2c1)[*:1]
CCOC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccc(OC)cc4)nc3c2)C1 CCOC(=O)[*:1] COc1ccc(cc1)-c1nc2cc(ccc2o1)N1C[C@H](CC1=O)[*:1]
CC(C)CNC(=O)NNC(=O)c1cc(F)ccc1Br CC(C)C[*:1] O=C(NNC(=O)c1cc(F)ccc1Br)N[*:1]
CC(C)CNC(=O)NNC(=O)c1cc(F)ccc1Br CC(C)[*:1] O=C(NC[*:1])NNC(=O)c1cc(F)ccc1Br
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 c1ccc(cc1)S[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C)C[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C)CS[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 c1ccc(cc1)SC[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 CC(=O)N[*:1] Cc1cc(ccc1NS(=O)(=O)c1ccc(cc1)[*:1])CSc1ccccc1
CC[C@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] CC[C@H]1CCCCN1C(=O)Cn1cccc1-c1nc(no1)[*:1]
CC[NH+]1CCC(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC[NH+]1CCC(CC1)NC(=O)C[NH+](C)CC(=O)N[*:1]
CC(C)CNC(=O)[C@@H](C)Oc1ccc(F)cc1[C@@H](C)O C[C@@H](O)[*:1] CC(C)CNC(=O)[C@@H](C)Oc1ccc(F)cc1[*:1]
CC(C)CNC(=O)[C@@H](C)Oc1ccc(F)cc1[C@@H](C)O CC(C)C[*:1] C[C@@H](Oc1ccc(F)cc1[C@@H](C)O)C(=O)N[*:1]
CC(C)CNC(=O)[C@@H](C)Oc1ccc(F)cc1[C@@H](C)O CC(C)[*:1] C[C@@H](Oc1ccc(F)cc1[C@@H](C)O)C(=O)NC[*:1]
CCCc1cc(NC(=O)N(CCC(F)(F)F)C2CCC2)n(C)n1 FC(F)(F)CC[*:1] CCCc1cc(NC(=O)N(C2CCC2)[*:1])n(C)n1
CCCc1cc(NC(=O)N(CCC(F)(F)F)C2CCC2)n(C)n1 C1CC(C1)[*:1] CCCc1cc(NC(=O)N(CCC(F)(F)F)[*:1])n(C)n1
CCCc1cc(NC(=O)N(CCC(F)(F)F)C2CCC2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)N(CCC(F)(F)F)C1CCC1)[*:1]
CCCc1cc(NC(=O)N(CCC(F)(F)F)C2CCC2)n(C)n1 FC(F)(F)[*:1] CCCc1cc(NC(=O)N(CC[*:1])C2CCC2)n(C)n1
CCCc1cc(NC(=O)N(CCC(F)(F)F)C2CCC2)n(C)n1 FC(F)(F)C[*:1] CCCc1cc(NC(=O)N(C[*:1])C2CCC2)n(C)n1
CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1 c1cc(ccn1)[*:1] CC(C)(C)c1ncc(c(n1)C1CCN(CC1)C(=O)c1ccccc1F)[*:1]
CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1 Fc1ccccc1[*:1] CC(C)(C)c1ncc(-c2ccncc2)c(n1)C1CCN(CC1)C(=O)[*:1]
CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1 CC(C)(C)[*:1] O=C(c1ccccc1F)N1CCC(CC1)c1nc(ncc1-c1ccncc1)[*:1]
CN1C(=O)C[C@@H](C(=O)N(C)[C@@H]2CCc3ccccc3C2)[C@H]1c1cccnc1 c1cncc(c1)[*:1] CN1C(=O)C[C@@H](C(=O)N(C)[C@@H]2CCc3ccccc3C2)[C@@H]1[*:1]
O=c1[nH]c2ccccc2n1C1CCN(c2cc(-n3ccnc3)ncn2)CC1 c1cn(cn1)[*:1] O=c1[nH]c2ccccc2n1C1CCN(CC1)c1cc(ncn1)[*:1]
CC[C@H](C)NC(=O)Nc1ccccc1SC(F)F CC[C@H](C)[*:1] O=C(Nc1ccccc1SC(F)F)N[*:1]
CC[C@H](C)NC(=O)Nc1ccccc1SC(F)F FC(F)S[*:1] CC[C@H](C)NC(=O)Nc1ccccc1[*:1]
CC[C@H](C)NC(=O)Nc1ccccc1SC(F)F FC(F)[*:1] CC[C@H](C)NC(=O)Nc1ccccc1S[*:1]
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccnc3)nc2)[C@@H]1C c1cncc(c1)[*:1] C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(nc2)O[*:1])[C@@H]1C
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccnc3)nc2)[C@@H]1C c1cncc(c1)O[*:1] C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(nc2)[*:1])[C@@H]1C
CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)[C@@H](C)Oc3cc(C)ccc3Cl)n2)cc1 Cc1ccc(Cl)c(c1)O[*:1] CC(=O)N[C@H](C)c1ccc(cc1)-c1csc(n1)NC(=O)[C@@H](C)[*:1]
CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)[C@@H](C)Oc3cc(C)ccc3Cl)n2)cc1 CC(=O)N[C@H](C)[*:1] Cc1ccc(Cl)c(c1)O[C@H](C)C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)[C@@H](C)Oc3cc(C)ccc3Cl)n2)cc1 Cc1ccc(Cl)c(c1)[*:1] CC(=O)N[C@H](C)c1ccc(cc1)-c1csc(n1)NC(=O)[C@@H](C)O[*:1]
CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)[C@@H](C)Oc3cc(C)ccc3Cl)n2)cc1 CC(=O)N[*:1] Cc1ccc(Cl)c(c1)O[C@H](C)C(=O)Nc1nc(cs1)-c1ccc(cc1)[C@@H](C)[*:1]
CN(Cc1ccccc1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O c1ccc(cc1)[*:1] CN(CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)[N+](=O)[O-])C[*:1]
CN(Cc1ccccc1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O CN(Cc1ccccc1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
CN(Cc1ccccc1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] CN(Cc1ccccc1)CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)[*:1]
CN(Cc1ccccc1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O c1ccc(cc1)C[*:1] CN(CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CN(Cc1ccccc1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])c1ccc(cc1)[*:1] CN(Cc1ccccc1)CN1C(=O)N[C@@](C)(C1=O)[*:1]
COC(=O)C[C@H](NC(=O)Nc1cc(F)ccc1F)c1ccc(OC)cc1 COC(=O)C[*:1] COc1ccc(cc1)[C@@H](NC(=O)Nc1cc(F)ccc1F)[*:1]
COC(=O)C[C@H](NC(=O)Nc1cc(F)ccc1F)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)C[C@H](NC(=O)Nc1cc(F)ccc1F)[*:1]
COC(=O)C[C@H](NC(=O)Nc1cc(F)ccc1F)c1ccc(OC)cc1 Fc1ccc(F)c(c1)[*:1] COC(=O)C[C@H](NC(=O)N[*:1])c1ccc(cc1)OC
COC(=O)C[C@H](NC(=O)Nc1cc(F)ccc1F)c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@H](C[*:1])NC(=O)Nc1cc(F)ccc1F
CC(C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NC1CCCCC1 CC(C)[*:1] O=C(NC1CCCCC1)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)[*:1]
CC(C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC(C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)N[*:1]
C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O Clc1ccccc1[*:1] C[C@@]1(NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O)[*:1]
c1ccc(COc2ccc(-c3ccnc4nc(-c5cccnc5)nn34)cc2)cc1 c1ccc(cc1)C[*:1] c1cncc(c1)-c1nc2nccc(-c3ccc(cc3)O[*:1])n2n1
c1ccc(COc2ccc(-c3ccnc4nc(-c5cccnc5)nn34)cc2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)COc1ccc(cc1)-c1ccnc2nc(nn12)[*:1]
c1ccc(COc2ccc(-c3ccnc4nc(-c5cccnc5)nn34)cc2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)-c1nc2nccc(-c3ccc(cc3)OC[*:1])n2n1
c1ccc(COc2ccc(-c3ccnc4nc(-c5cccnc5)nn34)cc2)cc1 c1ccc(cc1)CO[*:1] c1cncc(c1)-c1nc2nccc(-c3ccc(cc3)[*:1])n2n1
CC(=O)N[C@H](CC(=O)N(C)[C@H]1CCc2ccccc2C1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N(C)[C@H]1CCc2ccccc2C1)[*:1]
CC(=O)N[C@H](CC(=O)N(C)[C@H]1CCc2ccccc2C1)c1ccccc1 CC(=O)N[*:1] CN(C(=O)C[C@H](c1ccccc1)[*:1])[C@H]1CCc2ccccc2C1
CCN(Cc1cccs1)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C c1csc(c1)[*:1] CCN(C[*:1])C(=O)N[C@@H](C)c1cc(OC)c(cc1C)OC
CCN(Cc1cccs1)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C c1csc(c1)C[*:1] CCN(C(=O)N[C@@H](C)c1cc(OC)c(cc1C)OC)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])NC1CCC(c2ccccc2)CC1 O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])NC1CCC(CC1)c1ccccc1
O=C(COc1ccccc1[N+](=O)[O-])NC1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccccc1[N+](=O)[O-])NC1CCC(CC1)[*:1]
C[C@H](NC(=O)N1CCCCCC1)c1cccc(NC(=O)c2ccccc2)c1 O=C(N[*:1])c1ccccc1 C[C@H](NC(=O)N1CCCCCC1)c1cccc(c1)[*:1]
C[C@H](NC(=O)N1CCCCCC1)c1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCCCCC1)c1cccc(c1)NC(=O)[*:1]
C=CC[NH+]1C=CC(=C/C=C(/C#N)C(=O)OCC)C=C1 C=CC[*:1] CCOC(=O)/C(C#N)=C\C=C1C=C[NH+](C=C1)[*:1]
C=CC[NH+]1C=CC(=C/C=C(/C#N)C(=O)OCC)C=C1 CCOC(=O)[*:1] C=CC[NH+]1C=CC(C=C1)=CC=C(C#N)[*:1]
Cc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)s1 Cc1ccc(s1)[*:1] N#CC(=C[*:1])S(=O)(=O)c1ccc(Br)cc1
COCC(=O)N1CCN(Cc2nncn2C(C)C)[C@H]2CS(=O)(=O)C[C@H]21 CC(C)[*:1] COCC(=O)N1CCN(Cc2nncn2[*:1])[C@H]2CS(=O)(=O)C[C@H]21
COCC(=O)N1CCN(Cc2nncn2C(C)C)[C@H]2CS(=O)(=O)C[C@H]21 CC(C)n1cnnc1[*:1] COCC(=O)N1CCN(C[*:1])[C@H]2CS(=O)(=O)C[C@H]21
COCC(=O)N1CCN(Cc2nncn2C(C)C)[C@H]2CS(=O)(=O)C[C@H]21 COC[*:1] CC(C)n1cnnc1CN1CCN(C(=O)[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
COCCn1cc(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cn1 Fc1ccc(cc1F)[*:1] COCCn1cc(cn1)NC(=O)NC[C@@H]1CCN(C1)[*:1]
COCCn1cc(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cn1 COC[*:1] O=C(NC[C@@H]1CCN(C1)c1ccc(F)c(F)c1)Nc1cnn(c1)C[*:1]
COCCn1cc(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cn1 COCCn1cc(cn1)[*:1] O=C(NC[C@@H]1CCN(C1)c1ccc(F)c(F)c1)N[*:1]
COCCn1cc(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cn1 COCC[*:1] O=C(NC[C@@H]1CCN(C1)c1ccc(F)c(F)c1)Nc1cnn(c1)[*:1]
CN(Cc1ccccc1)C(=O)CCNc1ncnc2nc(N)ccc12 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCNc1ncnc2nc(N)ccc12
CN(Cc1ccccc1)C(=O)CCNc1ncnc2nc(N)ccc12 c1ccc(cc1)C[*:1] CN(C(=O)CCNc1ncnc2nc(N)ccc12)[*:1]
COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccccc1 COc1ccccc1[*:1] C[C@]1(Cn2c(cc3ccsc32)C(=O)N1C[*:1])C(=O)NCc1ccccc1
COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccccc1 COc1ccccc1C[*:1] C[C@]1(Cn2c(cc3ccsc32)C(=O)N1[*:1])C(=O)NCc1ccccc1
COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@]1(C)[*:1]
COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)N[*:1]
COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NC[*:1]
COc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1C(N)=O NC(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1CCOc2ccccc21
CCOCC(=O)N1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 CCO[*:1] O=C(C[*:1])N1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2
CCOCC(=O)N1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] CCOCC(=O)N1[C@H]2CC[C@@H]1CN(C2)[*:1]
CCOCC(=O)N1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] CCOCC(=O)N1[C@H]2CC[C@@H]1CN(C2)C[*:1]
CCOCC(=O)N1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 CCOC[*:1] O=C(N1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2)[*:1]
Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC[C@H]1[*:1]
Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1cccc(F)c1 Cc1ccccc1[*:1] O=C([C@H]1C[C@@H]1[*:1])N1CCC[C@@H]1c1cccc(F)c1
CN1C(=O)CC[C@H](NCc2ccc(C(=O)[O-])cn2)C1=O O=C([O-])[*:1] CN1C(=O)CC[C@H](NCc2ccc(cn2)[*:1])C1=O
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
C=C(C)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C C=C(C)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2C[*:1]
C=C(C)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C C=C(C)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2[*:1]
C=C(C)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C C1CCN(C1)[*:1] C=C(C)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)[*:1]
CN(Cc1ccccc1)C(=O)CCNC(=O)N1C[C@@H]2CCCC[C@H]2C1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCNC(=O)N1C[C@@H]2CCCC[C@H]2C1
CN(Cc1ccccc1)C(=O)CCNC(=O)N1C[C@@H]2CCCC[C@H]2C1 c1ccc(cc1)C[*:1] CN(C(=O)CCNC(=O)N1C[C@@H]2CCCC[C@H]2C1)[*:1]
CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(C(N)=O)cc1 NC(=O)[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(cc1)[*:1]
CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(C(N)=O)cc1 c1ccc(cc1)[*:1] CN(Cc1nccn1C[*:1])C(=O)c1ccc(cc1)C(N)=O
CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(C(N)=O)cc1 c1ccc(cc1)C[*:1] CN(Cc1nccn1[*:1])C(=O)c1ccc(cc1)C(N)=O
C[C@H](CNC(=O)c1cnc([C@@H]2CCCO2)s1)C[NH+]1CCCC1 C1CO[C@@H](C1)[*:1] C[C@H](CNC(=O)c1cnc(s1)[*:1])C[NH+]1CCCC1
O=C(Nc1ccccc1)[C@@H]1CN(C(=O)CC[NH+]2CCCCCC2)CCO1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CN(CCO1)C(=O)CC[NH+]1CCCCCC1
Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1c(nn2c1N=C(O)C[C@H]2C(=O)N[*:1])-c1ccc(F)cc1
Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1 Fc1ccc(cc1)[*:1] Cc1c(nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1)[*:1]
Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] Cc1c(nn2c1N=C(O)C[C@@H]2[*:1])-c1ccc(F)cc1
COc1cccc(C(=O)N2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)c1 COc1cccc(c1)[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)c1 Cc1cc(C)n(n1)[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)[C@H](C)[*:1]
CC[C@@H](C)NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 Fc1cccc(c1)[*:1] CC[C@@H](C)NC(=O)N1CCC[C@@H](C1)c1nc(no1)[*:1]
CC[C@@H](C)NC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 CC[C@@H](C)[*:1] O=C(N[*:1])N1CCC[C@@H](C1)c1nc(no1)-c1cccc(F)c1
Cc1cccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)c1 Nc1nnnn1[*:1] Cc1cccc(c1)N(C(=O)C[*:1])C1(CCCCC1)C(=O)Nc1c(C)cccc1C
Cc1cccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)c1 Cc1cccc(C)c1[*:1] Cc1cccc(c1)N(C(=O)Cn1nnnc1N)C1(CCCCC1)C(=O)N[*:1]
Cc1cccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)c1 Cc1cccc(c1)[*:1] Cc1cccc(C)c1NC(=O)C1(CCCCC1)N(C(=O)Cn1nnnc1N)[*:1]
Cc1cccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)c1 Cc1cccc(C)c1NC(=O)[*:1] Cc1cccc(c1)N(C(=O)Cn1nnnc1N)C1(CCCCC1)[*:1]
Nc1cccnc1SCC(=O)N1CCc2ccccc2C1 Nc1cccnc1[*:1] O=C(CS[*:1])N1CCc2ccccc2C1
COC(=O)c1sc2cccc(F)c2c1CSc1nnnn1C Cn1nnnc1S[*:1] COC(=O)c1sc2cccc(F)c2c1C[*:1]
COC(=O)c1sc2cccc(F)c2c1CSc1nnnn1C Cn1nnnc1[*:1] COC(=O)c1sc2cccc(F)c2c1CS[*:1]
COC(=O)c1sc2cccc(F)c2c1CSc1nnnn1C COC(=O)[*:1] Cn1nnnc1SCc1c(sc2cccc(F)c12)[*:1]
CN(C)C(=O)Nc1cccc(CNC(=O)NCCC(F)(F)F)c1 FC(F)(F)CC[*:1] CN(C)C(=O)Nc1cccc(c1)CNC(=O)N[*:1]
CN(C)C(=O)Nc1cccc(CNC(=O)NCCC(F)(F)F)c1 FC(F)(F)C[*:1] CN(C)C(=O)Nc1cccc(c1)CNC(=O)NC[*:1]
CN(C)C(=O)Nc1cccc(CNC(=O)NCCC(F)(F)F)c1 CN(C)C(=O)N[*:1] O=C(NCCC(F)(F)F)NCc1cccc(c1)[*:1]
CN(C)C(=O)Nc1cccc(CNC(=O)NCCC(F)(F)F)c1 FC(F)(F)[*:1] CN(C)C(=O)Nc1cccc(c1)CNC(=O)NCC[*:1]
C[C@H](CCc1ccccc1)NC(=O)NCc1ccccc1F Fc1ccccc1[*:1] C[C@H](CCc1ccccc1)NC(=O)NC[*:1]
C[C@H](CCc1ccccc1)NC(=O)NCc1ccccc1F c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)NCc1ccccc1F
C[C@H](CCc1ccccc1)NC(=O)NCc1ccccc1F c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)NCc1ccccc1F
C#CCOc1ccccc1CN(C)C(=O)Nc1nnc(-c2ccsc2)s1 C#CC[*:1] CN(Cc1ccccc1O[*:1])C(=O)Nc1nnc(s1)-c1ccsc1
C#CCOc1ccccc1CN(C)C(=O)Nc1nnc(-c2ccsc2)s1 C#CCO[*:1] CN(Cc1ccccc1[*:1])C(=O)Nc1nnc(s1)-c1ccsc1
C#CCOc1ccccc1CN(C)C(=O)Nc1nnc(-c2ccsc2)s1 c1cc(cs1)[*:1] C#CCOc1ccccc1CN(C)C(=O)Nc1nnc(s1)[*:1]
CN(C)c1cc[n+](C[C@@H](O)CSc2ccccc2)cc1 CN(C)[*:1] O[C@@H](CSc1ccccc1)C[n+]1ccc(cc1)[*:1]
CN(C)c1cc[n+](C[C@@H](O)CSc2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)c1cc[n+](cc1)C[C@@H](O)CS[*:1]
CC(=O)NCc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)s1 CC(=O)NC[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)c1ccc(s1)[*:1]
CC(=O)NCc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)s1 CC1CCN(CC1)C(=O)[*:1] CC(=O)NCc1ccc(s1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)s1 CC(=O)N[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)c1ccc(C[*:1])s1
CSc1ncc(C(=O)N(C)CCC(C)C)n1-c1ccc(F)cc1 CC(C)[*:1] CSc1ncc(C(=O)N(C)CC[*:1])n1-c1ccc(F)cc1
CSc1ncc(C(=O)N(C)CCC(C)C)n1-c1ccc(F)cc1 CC(C)CC[*:1] CSc1ncc(C(=O)N(C)[*:1])n1-c1ccc(F)cc1
CSc1ncc(C(=O)N(C)CCC(C)C)n1-c1ccc(F)cc1 CC(C)C[*:1] CSc1ncc(C(=O)N(C)C[*:1])n1-c1ccc(F)cc1
CSc1ncc(C(=O)N(C)CCC(C)C)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1ncc(C(=O)N(C)CCC(C)C)n1[*:1]
Cc1cc(=O)nc2c3ccccc3n([C@@H](C)C(=O)Nc3c(F)c(F)cc(F)c3F)n12 Fc1cc(F)c(F)c(c1F)[*:1] Cc1cc(=O)nc2c3ccccc3n([C@@H](C)C(=O)N[*:1])n12
CCOc1ccc(CN(C(=O)Cc2coc3cc(C)ccc23)[C@@H]2CCS(=O)(=O)C2)cc1 CCOc1ccc(cc1)C[*:1] Cc1ccc2c(coc2c1)CC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCOc1ccc(CN(C(=O)Cc2coc3cc(C)ccc23)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1ccc2c(coc2c1)[*:1] CCOc1ccc(cc1)CN(C(=O)C[*:1])[C@@H]1CCS(=O)(=O)C1
CCOc1ccc(CN(C(=O)Cc2coc3cc(C)ccc23)[C@@H]2CCS(=O)(=O)C2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc2c(coc2c1)CC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCOc1ccc(CN(C(=O)Cc2coc3cc(C)ccc23)[C@@H]2CCS(=O)(=O)C2)cc1 CCO[*:1] Cc1ccc2c(coc2c1)CC(=O)N(Cc1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCOC(=O)[C@@H](C)c1ccc(OC)c(OC)c1 CCOC(=O)[*:1] COc1ccc(cc1OC)[C@H](C)[*:1]
Cc1ccccc1C(=O)NC(=S)Nc1cccc(OCC(C)C)c1 CC(C)C[*:1] Cc1ccccc1C(=O)NC(=S)Nc1cccc(c1)O[*:1]
Cc1ccccc1C(=O)NC(=S)Nc1cccc(OCC(C)C)c1 Cc1ccccc1[*:1] CC(C)COc1cccc(c1)NC(=S)NC(=O)[*:1]
Cc1ccccc1C(=O)NC(=S)Nc1cccc(OCC(C)C)c1 CC(C)CO[*:1] Cc1ccccc1C(=O)NC(=S)Nc1cccc(c1)[*:1]
Cc1ccccc1C(=O)NC(=S)Nc1cccc(OCC(C)C)c1 CC(C)[*:1] Cc1ccccc1C(=O)NC(=S)Nc1cccc(c1)OC[*:1]
CC[C@@H](C)[C@H](C)NC(=O)Nc1ccccc1-n1nc(C)nc1C CC[C@@H](C)[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N[C@@H](C)[*:1]
CC[C@@H](C)[C@H](C)NC(=O)Nc1ccccc1-n1nc(C)nc1C Cc1nc(C)n(n1)[*:1] CC[C@@H](C)[C@H](C)NC(=O)Nc1ccccc1[*:1]
CO[C@@H]1CCCN(C(=O)/C=C/c2ccc(S(=O)(=O)N(C)C)cc2)C1 CN(C)S(=O)(=O)[*:1] CO[C@@H]1CCCN(C1)C(=O)/C=C/c1ccc(cc1)[*:1]
CCC[NH2+][C@@H](C)c1ccc(SCC(C)C)cc1 CC(C)CS[*:1] CCC[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CCC[NH2+][C@@H](C)c1ccc(SCC(C)C)cc1 CC(C)C[*:1] CCC[NH2+][C@@H](C)c1ccc(cc1)S[*:1]
CCC[NH2+][C@@H](C)c1ccc(SCC(C)C)cc1 CCC[*:1] CC(C)CSc1ccc(cc1)[C@H](C)[NH2+][*:1]
CCC[NH2+][C@@H](C)c1ccc(SCC(C)C)cc1 CC(C)[*:1] CCC[NH2+][C@@H](C)c1ccc(cc1)SC[*:1]
COc1ccc(C2(C(=O)NC[C@](C)(O)c3cccs3)CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)C1(CCOCC1)[*:1])c1cccs1
COc1ccc(C2(C(=O)NC[C@](C)(O)c3cccs3)CCOCC2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)C1(CCOCC1)C(=O)NC[C@](C)(O)[*:1]
C[n+]1noc([O-])c1SCC(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F FC(F)(F)[*:1] C[n+]1noc([O-])c1SCC(=O)Nc1c(F)c(F)c(c(F)c1F)[*:1]
CC[C@H]([NH2+]C[C@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@H]([NH2+]C[C@H]1CCCN(C1)c1ncccn1)[*:1]
CC[C@H]([NH2+]C[C@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1F c1cnc(nc1)[*:1] CC[C@H]([NH2+]C[C@H]1CCCN(C1)[*:1])c1cc(F)ccc1F
C=C(C)COc1ccc2c(C)c(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)oc2c1 c1cc2OCOc2cc1C[*:1] C=C(C)COc1ccc2c(C)c(CC(=O)N[*:1])c(=O)oc2c1
C=C(C)COc1ccc2c(C)c(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)oc2c1 C=C(C)CO[*:1] Cc1c(CC(=O)NCc2ccc3OCOc3c2)c(=O)oc2cc(ccc12)[*:1]
C=C(C)COc1ccc2c(C)c(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)oc2c1 c1cc2OCOc2cc1[*:1] C=C(C)COc1ccc2c(C)c(CC(=O)NC[*:1])c(=O)oc2c1
C=C(C)COc1ccc2c(C)c(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)oc2c1 C=C(C)[*:1] Cc1c(CC(=O)NCc2ccc3OCOc3c2)c(=O)oc2cc(ccc12)OC[*:1]
C=C(C)COc1ccc2c(C)c(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)oc2c1 C=C(C)C[*:1] Cc1c(CC(=O)NCc2ccc3OCOc3c2)c(=O)oc2cc(ccc12)O[*:1]
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] O=C1COc2ccc(cc2N1C[*:1])S(=O)(=O)N1CCCCC1
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21)Nc1ccc(Cl)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)[*:1])Nc1ccc(Cl)cc1
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)S(=O)(=O)N1CCCCC1)N[*:1]
[NH3+]CCc1n[nH]c(Cc2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] [NH3+]CCc1n[nH]c(Cc2ccc(cc2)[*:1])n1
O=C(Cc1ccn[nH]1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 c1cc([nH]n1)[*:1] O=C(C[*:1])N1CC[C@@](C1)(C(=O)[O-])C(F)(F)F
O=C(Cc1ccn[nH]1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Cc1ccn[nH]1)N1CC[C@](C1)(C(=O)[O-])[*:1]
O=C(Cc1ccn[nH]1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 O=C([O-])[*:1] O=C(Cc1ccn[nH]1)N1CC[C@](C1)(C(F)(F)F)[*:1]
O=C(Cc1ccn[nH]1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 c1cc(C[*:1])[nH]n1 O=C([O-])[C@]1(CCN(C1)C(=O)[*:1])C(F)(F)F
Cc1noc(CN2CCCC[C@@H]2c2nc3ccccc3o2)n1 Cc1noc(n1)[*:1] c1ccc2oc(nc2c1)[C@H]1CCCCN1C[*:1]
Cc1noc(CN2CCCC[C@@H]2c2nc3ccccc3o2)n1 Cc1noc(C[*:1])n1 c1ccc2oc(nc2c1)[C@H]1CCCCN1[*:1]
CCCn1c(SCC(=O)Nc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C Clc1ccccc1[*:1] CCCn1c(nc2c1c(=O)n(C)c(=O)n2C)SCC(=O)N[*:1]
CCCn1c(SCC(=O)Nc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C CCC[*:1] Cn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3Cl)n2[*:1])n(C)c1=O
COCC[C@@H](C)C(=O)N(C)Cc1ccccc1N1CCCC1 COCC[*:1] C[C@@H](C(=O)N(C)Cc1ccccc1N1CCCC1)[*:1]
COCC[C@@H](C)C(=O)N(C)Cc1ccccc1N1CCCC1 C1CCN(C1)[*:1] COCC[C@@H](C)C(=O)N(C)Cc1ccccc1[*:1]
COCC[C@@H](C)C(=O)N(C)Cc1ccccc1N1CCCC1 COC[*:1] C[C@H](C[*:1])C(=O)N(C)Cc1ccccc1N1CCCC1
CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2=O CC(C)(C)[*:1] O=C(CN1C(=O)NC2(CCC(CC2)[*:1])C1=O)NCC12CC3CC(CC(C3)C1)C2
O=C(NCCC(=O)N1CCc2ccc(Cl)cc2C1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(CCNC(=O)[*:1])N1CCc2ccc(Cl)cc2C1
O=C(N/N=C\c1cccnc1)Nc1cccc(Cl)c1 c1cncc(c1)[*:1] O=C(NN=C[*:1])Nc1cccc(Cl)c1
CCOc1ccc2c(c1C)O/C(=C\c1cccc(OC)c1OC)C2=O CCO[*:1] COc1cccc(/C=C2\Oc3c(ccc(c3C)[*:1])C2=O)c1OC
CCOC(OCC)[C@H](O)c1cccc(F)c1F CCO[*:1] CCOC([C@H](O)c1cccc(F)c1F)[*:1]
CCC[C@@H]1CN(C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)CCO1 C[C@H]1CN(C[C@@H](C)O1)[*:1] CCC[C@@H]1CN(CCO1)C(=O)Nc1ccccc1[*:1]
CCC[C@@H]1CN(C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)CCO1 CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)N1CCO[C@@H](C1)[*:1]
CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(C)c(C)c1)CC2 Cc1ccc(cc1C)[*:1] CCN1CC2(CCC1=O)CCN(CC2)C(=O)[*:1]
O=C([O-])CC1CCN(S(=O)(=O)c2cc[nH]c2)CC1 c1cc(c[nH]1)[*:1] O=C([O-])CC1CCN(CC1)S(=O)(=O)[*:1]
O=C([O-])CC1CCN(S(=O)(=O)c2cc[nH]c2)CC1 O=C([O-])C[*:1] O=S(=O)(c1cc[nH]c1)N1CCC(CC1)[*:1]
O=C([O-])CC1CCN(S(=O)(=O)c2cc[nH]c2)CC1 O=C([O-])[*:1] O=S(=O)(c1cc[nH]c1)N1CCC(CC1)C[*:1]
O=C(c1cccnc1)N1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(c1cccnc1)N1CCN(CC1)C(=O)c1ccccc1[*:1]
O=C(c1cccnc1)N1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 c1cncc(c1)[*:1] O=C(c1ccccc1N1CCOCC1)N1CCN(CC1)C(=O)[*:1]
C[C@@H]1CN(CCCNC(=O)NNC(=O)Cc2ccc(F)cc2)C[C@@H](C)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(CCCNC(=O)NNC(=O)C[*:1])C[C@@H](C)O1
C[C@@H]1CN(CCCNC(=O)NNC(=O)Cc2ccc(F)cc2)C[C@@H](C)O1 Fc1ccc(cc1)C[*:1] C[C@@H]1CN(CCCNC(=O)NNC(=O)[*:1])C[C@@H](C)O1
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)[*:1]
CCOc1ccccc1OCC(=O)N(C)CC#N N#CC[*:1] CCOc1ccccc1OCC(=O)N(C)[*:1]
CCOc1ccccc1OCC(=O)N(C)CC#N CCO[*:1] CN(CC#N)C(=O)COc1ccccc1[*:1]
Cc1cc([C@@H](C)NC(=O)C[C@H](C)NC(=O)c2ccccc2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H](CC(=O)N[C@H](C)[*:1])NC(=O)c1ccccc1
Cc1cc([C@@H](C)NC(=O)C[C@H](C)NC(=O)c2ccccc2)c(C)s1 c1ccc(cc1)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)C[C@H](C)NC(=O)[*:1]
Cc1ccc(CCNC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)cn1 Cc1ccc(cn1)[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCC[*:1]
Cc1ccc(CCNC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)cn1 Cc1ccc(cn1)C[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NC[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 CN(C)S(=O)(=O)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(ccc1N1CCCCC1)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 C1CCN(CC1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(ccc1[*:1])S(=O)(=O)N(C)C
CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1F CCO[*:1] O=C(Nc1ccccc1[*:1])c1cc(ccc1F)S(=O)(=O)N1CCN(CC1)c1cccc[nH+]1
CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1F CCOc1ccccc1[*:1] O=C(N[*:1])c1cc(ccc1F)S(=O)(=O)N1CCN(CC1)c1cccc[nH+]1
CCC[C@H](NC(=O)c1cc(OC)ccc1Br)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1cc(ccc1Br)OC)[*:1]
CCC[C@H](NC(=O)c1cc(OC)ccc1Br)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1cc(ccc1Br)OC)[*:1]
Cn1c(C(=O)NCc2cn(-c3ccccc3)nn2)c(Cl)c2ccccc21 c1ccc(cc1)[*:1] Cn1c(C(=O)NCc2cn(nn2)[*:1])c(Cl)c2ccccc21
FC(F)(F)Oc1ccccc1NCc1nc(-c2ccco2)no1 FC(F)(F)[*:1] c1coc(c1)-c1noc(CNc2ccccc2O[*:1])n1
FC(F)(F)Oc1ccccc1NCc1nc(-c2ccco2)no1 c1coc(c1)[*:1] FC(F)(F)Oc1ccccc1NCc1nc(no1)[*:1]
FC(F)(F)Oc1ccccc1NCc1nc(-c2ccco2)no1 FC(F)(F)O[*:1] c1coc(c1)-c1noc(CNc2ccccc2[*:1])n1
O=C(NCc1ccccc1F)NC1CCN(C(=O)c2ccco2)CC1 Fc1ccccc1[*:1] O=C(NC[*:1])NC1CCN(CC1)C(=O)c1ccco1
O=C(NCc1ccccc1F)NC1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(NCc1ccccc1F)NC1CCN(CC1)C(=O)[*:1]
O=C(NCc1ccccc1F)NC1CCN(C(=O)c2ccco2)CC1 Fc1ccccc1C[*:1] O=C(NC1CCN(CC1)C(=O)c1ccco1)N[*:1]
O=C(NCCOc1ccccc1)c1ccc(Cn2cccn2)cc1 c1ccc(cc1)OC[*:1] O=C(NC[*:1])c1ccc(cc1)Cn1cccn1
O=C(NCCOc1ccccc1)c1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] O=C(NCCOc1ccccc1)c1ccc(cc1)[*:1]
O=C(NCCOc1ccccc1)c1ccc(Cn2cccn2)cc1 c1ccc(cc1)O[*:1] O=C(NCC[*:1])c1ccc(cc1)Cn1cccn1
O=C(NCCOc1ccccc1)c1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] O=C(NCCOc1ccccc1)c1ccc(cc1)C[*:1]
O=C(NCCOc1ccccc1)c1ccc(Cn2cccn2)cc1 c1ccc(cc1)[*:1] O=C(NCCO[*:1])c1ccc(cc1)Cn1cccn1
CCOc1cccc(O[C@@H]2CCC[C@](CO)([NH2+]C)C2)c1 CCO[*:1] C[NH2+][C@@]1(CO)CCC[C@H](C1)Oc1cccc(c1)[*:1]
O=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)Nc2cccs2)CC1 c1csc(c1)[*:1] O=C(NCc1ccc2OCOc2c1)C1CCN(CC1)C(=O)N[*:1]
O=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)Nc2cccs2)CC1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)Nc1cccs1
O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccn[nH]1 c1cc([nH]n1)[*:1] O=C([O-])c1ccc2c(c1)CCN2C(=O)[*:1]
O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccn[nH]1 O=C([O-])[*:1] O=C(c1ccn[nH]1)N1CCc2cc(ccc21)[*:1]
C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccccc1 C=CCC[*:1] C[C@H]([NH2+][C@@H](c1ccccc1)[*:1])c1ccc(F)cn1
C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccccc1 C=CC[*:1] C[C@H]([NH2+][C@H](C[*:1])c1ccccc1)c1ccc(F)cn1
C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccccc1 Fc1ccc(nc1)[*:1] C=CCC[C@@H]([NH2+][C@@H](C)[*:1])c1ccccc1
C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccccc1 c1ccc(cc1)[*:1] C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)[*:1]
CCSc1ncc(Cl)c(C(=O)Nc2cc(C)ccn2)n1 CCS[*:1] Cc1ccnc(c1)NC(=O)c1nc(ncc1Cl)[*:1]
O=C(Cc1cccc2cccnc12)N(C1CC1)[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C(Cc1cccc2cccnc12)N([C@H]1CCS(=O)(=O)C1)[*:1]
C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cccn2)cc1 O=S1(=O)CC[C@@H](C1)C[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-n1cccn1
C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cccn2)cc1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-n1cccn1
CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)[C@H](C)Sc1nnc2c(Cl)cc(cn12)C(F)(F)F
CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12 FC(F)(F)[*:1] CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nnc2c(Cl)cc(cn12)[*:1]
CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12 c1ccc(cc1)C[*:1] CCN(C(=O)[C@H](C)Sc1nnc2c(Cl)cc(cn12)C(F)(F)F)[*:1]
CN(C)c1nc(N)nc(COc2ccc3ccccc3c2C=O)n1 CN(C)[*:1] Nc1nc(COc2ccc3ccccc3c2C=O)nc(n1)[*:1]
O=C([O-])CCC(=O)Nc1scc2c1c(=O)oc1ccccc12 O=C([O-])C[*:1] O=C(C[*:1])Nc1scc2c1c(=O)oc1ccccc12
O=C([O-])CCC(=O)Nc1scc2c1c(=O)oc1ccccc12 O=C([O-])CC[*:1] O=C(Nc1scc2c1c(=O)oc1ccccc12)[*:1]
O=C([O-])CCC(=O)Nc1scc2c1c(=O)oc1ccccc12 O=C([O-])[*:1] O=C(CC[*:1])Nc1scc2c1c(=O)oc1ccccc12
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2 Clc1ccc(cc1Cl)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)C1CC1)N[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2 C1CC1[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1]
CC[C@@H](CNC(=O)NC1CCCC1)c1ccccc1 C1CCC(C1)[*:1] CC[C@@H](CNC(=O)N[*:1])c1ccccc1
CC[C@@H](CNC(=O)NC1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)NC1CCCC1)[*:1]
O=C1CS[C@H](c2ccccc2)N1c1ccc(F)c(Cl)c1 c1ccc(cc1)[*:1] O=C1CS[C@H](N1c1ccc(F)c(Cl)c1)[*:1]
CC(C)Nc1nnc(SCc2cc(-c3cccs3)on2)s1 CC(C)N[*:1] c1csc(c1)-c1cc(CSc2nnc(s2)[*:1])no1
CC(C)Nc1nnc(SCc2cc(-c3cccs3)on2)s1 CC(C)[*:1] c1csc(c1)-c1cc(CSc2nnc(N[*:1])s2)no1
CC(C)Nc1nnc(SCc2cc(-c3cccs3)on2)s1 c1csc(c1)[*:1] CC(C)Nc1nnc(SCc2cc(on2)[*:1])s1
CCOc1cccc(C(=O)NC(=S)Nc2ccccc2C#N)c1 CCO[*:1] N#Cc1ccccc1NC(=S)NC(=O)c1cccc(c1)[*:1]
Cc1cccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(C)c2)c1 Cc1cccc(c1)OC[*:1] Cc1ccc(cc1C)NC(=O)c1ccccc1NC(=O)[*:1]
Cc1cccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] Cc1cccc(c1)OCC(=O)Nc1ccccc1C(=O)N[*:1]
Cc1cccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(C)c2)c1 Cc1cccc(c1)O[*:1] Cc1ccc(cc1C)NC(=O)c1ccccc1NC(=O)C[*:1]
Cc1cccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(C)c2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1C)NC(=O)c1ccccc1NC(=O)CO[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])N[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cn[nH]c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1cn[nH]c1
CC(C)CCN1CC2(CCN(C(=O)C[C@@H](C)N3CCOCC3)CC2)OC1=O C[C@H](C[*:1])N1CCOCC1 CC(C)CCN1CC2(CCN(CC2)C(=O)[*:1])OC1=O
CC(C)CCN1CC2(CCN(C(=O)C[C@@H](C)N3CCOCC3)CC2)OC1=O CC(C)[*:1] C[C@H](CC(=O)N1CCC2(CC1)CN(CC[*:1])C(=O)O2)N1CCOCC1
CC(C)CCN1CC2(CCN(C(=O)C[C@@H](C)N3CCOCC3)CC2)OC1=O CC(C)C[*:1] C[C@H](CC(=O)N1CCC2(CC1)CN(C[*:1])C(=O)O2)N1CCOCC1
CC(C)CCN1CC2(CCN(C(=O)C[C@@H](C)N3CCOCC3)CC2)OC1=O C[C@@H](N1CCOCC1)[*:1] CC(C)CCN1CC2(CCN(CC2)C(=O)C[*:1])OC1=O
CC(C)CCN1CC2(CCN(C(=O)C[C@@H](C)N3CCOCC3)CC2)OC1=O C1CN(CCO1)[*:1] CC(C)CCN1CC2(CCN(CC2)C(=O)C[C@@H](C)[*:1])OC1=O
CC(C)CCN1CC2(CCN(C(=O)C[C@@H](C)N3CCOCC3)CC2)OC1=O CC(C)CC[*:1] C[C@H](CC(=O)N1CCC2(CC1)CN(C(=O)O2)[*:1])N1CCOCC1
C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1c[nH]c2ccc([N+](=O)[O-])cc12 c1sc(nc1C1CC1)[*:1] C[C@@H]([NH2+]C[*:1])c1c[nH]c2ccc(cc12)[N+](=O)[O-]
C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1c[nH]c2ccc([N+](=O)[O-])cc12 C1CC1[*:1] C[C@@H]([NH2+]Cc1nc(cs1)[*:1])c1c[nH]c2ccc(cc12)[N+](=O)[O-]
C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1c[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] C[C@@H]([NH2+]Cc1nc(cs1)C1CC1)c1c[nH]c2ccc(cc12)[*:1]
COCCc1noc(-c2cc(Cl)ccc2NC(=O)C=C(C)C)n1 CC(C)=CC(=O)N[*:1] COCCc1noc(n1)-c1cc(Cl)ccc1[*:1]
COCCc1noc(-c2cc(Cl)ccc2NC(=O)C=C(C)C)n1 CC(C)=C[*:1] COCCc1noc(n1)-c1cc(Cl)ccc1NC(=O)[*:1]
COCCc1noc(-c2cc(Cl)ccc2NC(=O)C=C(C)C)n1 COCC[*:1] CC(C)=CC(=O)Nc1ccc(Cl)cc1-c1nc(no1)[*:1]
COCCc1noc(-c2cc(Cl)ccc2NC(=O)C=C(C)C)n1 COC[*:1] CC(C)=CC(=O)Nc1ccc(Cl)cc1-c1nc(C[*:1])no1
O=C(c1ccccn1)N1CCC2(CC[C@@H](CNC(=O)C3(c4ccccc4)CC3)O2)CC1 c1ccc(nc1)[*:1] O=C(NC[C@@H]1CCC2(CCN(CC2)C(=O)[*:1])O1)C1(CC1)c1ccccc1
O=C(c1ccccn1)N1CCC2(CC[C@@H](CNC(=O)C3(c4ccccc4)CC3)O2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccn1)N1CCC2(CC[C@@H](CNC(=O)C3(CC3)[*:1])O2)CC1
O=C(c1ccccn1)N1CCC2(CC[C@@H](CNC(=O)C3(c4ccccc4)CC3)O2)CC1 c1ccc(cc1)C1(CC1)[*:1] O=C(c1ccccn1)N1CCC2(CC[C@@H](CNC(=O)[*:1])O2)CC1
Nc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 FC(F)(F)[*:1] Nc1nc([nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1)SCC(=O)Nc1cccc(c1)[*:1]
Nc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 O=C(N[*:1])c1ccc(F)c(F)c1 Nc1nc([nH]c(=O)c1[*:1])SCC(=O)Nc1cccc(c1)C(F)(F)F
Nc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 FC(F)(F)c1cccc(c1)[*:1] Nc1nc([nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1)SCC(=O)N[*:1]
Nc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] Nc1nc([nH]c(=O)c1NC(=O)[*:1])SCC(=O)Nc1cccc(c1)C(F)(F)F
CC(C)[C@@H](CNC(=O)CCS(C)(=O)=O)c1ccccc1 CS(=O)(=O)CC[*:1] CC(C)[C@@H](CNC(=O)[*:1])c1ccccc1
CC(C)[C@@H](CNC(=O)CCS(C)(=O)=O)c1ccccc1 CS(=O)(=O)C[*:1] CC(C)[C@@H](CNC(=O)C[*:1])c1ccccc1
CC(C)[C@@H](CNC(=O)CCS(C)(=O)=O)c1ccccc1 CC(C)[*:1] CS(=O)(=O)CCC(=O)NC[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](CNC(=O)CCS(C)(=O)=O)c1ccccc1 CS(=O)(=O)[*:1] CC(C)[C@@H](CNC(=O)CC[*:1])c1ccccc1
CC(C)[C@@H](CNC(=O)CCS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](CNC(=O)CCS(C)(=O)=O)[*:1]
C[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 Cc1cc(F)ccc1[*:1] CC1CC[NH+](CC1)Cc1ccccc1CNC(=O)C(=O)N[*:1]
CCc1nsc(N2CCCN(S(=O)(=O)CCC3CC3)CC2)n1 CCc1nsc(n1)[*:1] O=S(=O)(CCC1CC1)N1CCCN(CC1)[*:1]
CCc1nsc(N2CCCN(S(=O)(=O)CCC3CC3)CC2)n1 C1CC1[*:1] CCc1nsc(n1)N1CCCN(CC1)S(=O)(=O)CC[*:1]
CCc1nsc(N2CCCN(S(=O)(=O)CCC3CC3)CC2)n1 C1CC1CC[*:1] CCc1nsc(n1)N1CCCN(CC1)S(=O)(=O)[*:1]
CCc1nsc(N2CCCN(S(=O)(=O)CCC3CC3)CC2)n1 C1CC1C[*:1] CCc1nsc(n1)N1CCCN(CC1)S(=O)(=O)C[*:1]
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)[C@@H]3C(=O)CCCC3=N2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)NC(=O)CSC1N=C2CCCC(=O)[C@H]2[C@@H](C=1C#N)[*:1]
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)[C@@H]3C(=O)CCCC3=N2)cc1C Cc1ccc(cc1C)[*:1] N#CC1=C(N=C2CCCC(=O)[C@H]2[C@H]1c1ccco1)SCC(=O)N[*:1]
Cc1ccc(N(C)C(=O)C2CCC(CNS(=O)(=O)c3cccc4nsnc34)CC2)cc1 c1cc(c2nsnc2c1)[*:1] Cc1ccc(cc1)N(C)C(=O)C1CCC(CC1)CNS(=O)(=O)[*:1]
Cc1ccc(N(C)C(=O)C2CCC(CNS(=O)(=O)c3cccc4nsnc34)CC2)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)C1CCC(CC1)CNS(=O)(=O)c1cccc2nsnc12)[*:1]
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(Br)cc12 CC(=O)[*:1] CC1OC(N)=C(C#N)[C@@]2(C(=O)Nc3ccc(Br)cc32)C=1[*:1]
CCOC(=O)c1cc(Br)c2[nH]cnc2c1 CCOC(=O)[*:1] Brc1cc(cc2nc[nH]c12)[*:1]
CC1(C)CN(C/C(N)=N/OCC(=O)NC2CC2)CCO1 C1CC1[*:1] CC1(C)CN(CCO1)C/C(N)=N/OCC(=O)N[*:1]
CC1(C)CN(C/C(N)=N/OCC(=O)NC2CC2)CCO1 O=C(NC1CC1)[*:1] CC1(C)CN(CCO1)C/C(N)=N/OC[*:1]
O=C(COc1ccc(-c2ccccc2)cc1Br)NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1Br)[*:1])NC[C@@H]1CCCO1
CC(C)[C@H](C)N(C(=O)NCc1ccco1)C1CC1 CC(C)[*:1] C[C@H](N(C(=O)NCc1ccco1)C1CC1)[*:1]
CC(C)[C@H](C)N(C(=O)NCc1ccco1)C1CC1 c1coc(c1)C[*:1] CC(C)[C@H](C)N(C(=O)N[*:1])C1CC1
CC(C)[C@H](C)N(C(=O)NCc1ccco1)C1CC1 CC(C)[C@H](C)[*:1] O=C(NCc1ccco1)N(C1CC1)[*:1]
CC(C)[C@H](C)N(C(=O)NCc1ccco1)C1CC1 C1CC1[*:1] CC(C)[C@H](C)N(C(=O)NCc1ccco1)[*:1]
CC(C)[C@H](C)N(C(=O)NCc1ccco1)C1CC1 c1coc(c1)[*:1] CC(C)[C@H](C)N(C(=O)NC[*:1])C1CC1
Cc1csc(-c2cccc(NC(=O)N3CCSC(C)(C)C3)c2)n1 Cc1csc(n1)[*:1] CC1(C)CN(CCS1)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(O)c(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1C Cc1cc(O)c(cc1C)[*:1] C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(Cl)cc1
Cc1cc(O)c(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1C Clc1ccc(cc1)[*:1] Cc1cc(O)c(cc1C)C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@H]1[*:1]
CC(C)[C@@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)[*:1]
CC(C)[C@@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)C(=O)N1CCOCC1 CC(C)[*:1] C[C@H](CC(=O)N[C@@H](C(=O)N1CCOCC1)[*:1])c1ccc(F)cc1
CC(C)[C@@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)C(=O)N1CCOCC1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)C[C@@H](C)[*:1])C(=O)N1CCOCC1
S=c1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH]1 c1ccc(cc1)[*:1] S=c1[nH]c(-c2ccccc2)c([nH]1)[*:1]
C[C@@H](CS)CN(C)c1ccc(F)cc1 C[C@@H](CS)[*:1] CN(C[*:1])c1ccc(F)cc1
O=c1c([N+](=O)[O-])cccn1Cc1ccc(F)cc1Cl O=[N+]([O-])[*:1] O=c1c(cccn1Cc1ccc(F)cc1Cl)[*:1]
Cc1n[nH]cc1CNC(=O)Cc1ccc(C(F)(F)F)cc1 Cc1n[nH]cc1[*:1] O=C(Cc1ccc(cc1)C(F)(F)F)NC[*:1]
Cc1n[nH]cc1CNC(=O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1n[nH]cc1CNC(=O)Cc1ccc(cc1)[*:1]
Cc1n[nH]cc1CNC(=O)Cc1ccc(C(F)(F)F)cc1 Cc1n[nH]cc1C[*:1] O=C(Cc1ccc(cc1)C(F)(F)F)N[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCCC(=O)NC3CC3)CCC2=O)cc1C O=C(C[*:1])NC1CC1 Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)NCC[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCCC(=O)NC3CC3)CCC2=O)cc1C O=C(NC1CC1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)NCCC[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCCC(=O)NC3CC3)CCC2=O)cc1C O=C(CC[*:1])NC1CC1 Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCCC(=O)NC3CC3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(CCCNC(=O)[C@@H]1CCC(=O)N(C1)[*:1])NC1CC1
Cc1ccc(N2C[C@H](C(=O)NCCCC(=O)NC3CC3)CCC2=O)cc1C C1CC1[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)NCCCC(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCCC(=O)NC3CC3)CCC2=O)cc1C O=C(CCC[*:1])NC1CC1 Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1 CCOC(=O)C[*:1] C[C@@H](CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1)[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)C[C@@H](C)CNC(=O)N1CC[C@@H]1[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1 CCOC(=O)[*:1] C[C@@H](CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1)C[*:1]
O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CC12CCOCC2 FC(F)(F)[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccccc1[*:1])[C@@H]1CC12CCOCC2
CCC(=O)N1CCC[C@@H](/C([O-])=N/c2nc(-c3ccc(C)s3)n[nH]2)C1 Cc1ccc(s1)[*:1] CCC(=O)N1CCC[C@H](C1)/C([O-])=N/c1nc(n[nH]1)[*:1]
Cc1cc(NCc2nccn2Cc2ccccc2)ccc1F c1ccc(cc1)[*:1] Cc1cc(ccc1F)NCc1nccn1C[*:1]
Cc1cc(NCc2nccn2Cc2ccccc2)ccc1F c1ccc(cc1)C[*:1] Cc1cc(ccc1F)NCc1nccn1[*:1]
CCc1nsc(N2CCCN(Cc3cc(C)n(Cc4ccco4)c3C)CC2)n1 c1coc(c1)C[*:1] CCc1nsc(n1)N1CCCN(CC1)Cc1cc(C)n(c1C)[*:1]
CCc1nsc(N2CCCN(Cc3cc(C)n(Cc4ccco4)c3C)CC2)n1 CCc1nsc(n1)[*:1] Cc1cc(CN2CCCN(CC2)[*:1])c(C)n1Cc1ccco1
CCc1nsc(N2CCCN(Cc3cc(C)n(Cc4ccco4)c3C)CC2)n1 c1coc(c1)[*:1] CCc1nsc(n1)N1CCCN(CC1)Cc1cc(C)n(C[*:1])c1C
CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1C c1ccc(cc1)[*:1] CCOc1ccc(cc1C)C(=O)N[C@@H](C)CC[*:1]
CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1C c1ccc(cc1)C[*:1] CCOc1ccc(cc1C)C(=O)N[C@@H](C)C[*:1]
CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])C(=O)N[C@@H](C)CCc1ccccc1
CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccnc4)C3)c(C)cc2NC1=O c1cncc(c1)[*:1] CC[C@H]1Oc2cc(c(C)cc2NC1=O)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccnc4)C3)c(C)cc2NC1=O O=C(Nc1cccnc1)[*:1] CC[C@H]1Oc2cc(c(C)cc2NC1=O)S(=O)(=O)N1CCC[C@H](C1)[*:1]
Cc1nc(-c2cccc(OC(=O)Cc3csc(-c4cccs4)n3)c2)no1 c1csc(c1)[*:1] Cc1nc(no1)-c1cccc(c1)OC(=O)Cc1csc(n1)[*:1]
Cc1nc(-c2cccc(OC(=O)Cc3csc(-c4cccs4)n3)c2)no1 Cc1nc(no1)[*:1] O=C(Cc1csc(n1)-c1cccs1)Oc1cccc(c1)[*:1]
Cc1ccc(Cc2nc(C(=O)O[C@H](C)C(F)(F)F)cs2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)Cc1nc(cs1)C(=O)O[C@H](C)[*:1]
Cc1ccc(Cc2nc(C(=O)O[C@H](C)C(F)(F)F)cs2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](OC(=O)c1csc(C[*:1])n1)C(F)(F)F
CN(C)c1nc2ccc(NC(=O)c3cccc(OCC(N)=O)c3)cc2o1 NC(=O)CO[*:1] CN(C)c1nc2ccc(cc2o1)NC(=O)c1cccc(c1)[*:1]
CN(C)c1nc2ccc(NC(=O)c3cccc(OCC(N)=O)c3)cc2o1 CN(C)[*:1] NC(=O)COc1cccc(c1)C(=O)Nc1ccc2nc(oc2c1)[*:1]
CN(C)c1nc2ccc(NC(=O)c3cccc(OCC(N)=O)c3)cc2o1 NC(=O)[*:1] CN(C)c1nc2ccc(cc2o1)NC(=O)c1cccc(c1)OC[*:1]
CN(C)c1nc2ccc(NC(=O)c3cccc(OCC(N)=O)c3)cc2o1 NC(=O)C[*:1] CN(C)c1nc2ccc(cc2o1)NC(=O)c1cccc(c1)O[*:1]
COc1cccc(CN2CCN(C(=O)[C@H]3C[C@H]3C)CC2)c1OC(F)F FC(F)[*:1] COc1cccc(CN2CCN(CC2)C(=O)[C@H]2C[C@H]2C)c1O[*:1]
COc1cccc(CN2CCN(C(=O)[C@H]3C[C@H]3C)CC2)c1OC(F)F FC(F)O[*:1] COc1cccc(CN2CCN(CC2)C(=O)[C@H]2C[C@H]2C)c1[*:1]
CCOC(=O)c1cc(C#N)c(SCC(=O)NC2CCCC2)nc1C C1CCC(C1)[*:1] CCOC(=O)c1cc(C#N)c(nc1C)SCC(=O)N[*:1]
CCOC(=O)c1cc(C#N)c(SCC(=O)NC2CCCC2)nc1C O=C(NC1CCCC1)[*:1] CCOC(=O)c1cc(C#N)c(nc1C)SC[*:1]
CCOC(=O)c1cc(C#N)c(SCC(=O)NC2CCCC2)nc1C CCOC(=O)[*:1] Cc1nc(SCC(=O)NC2CCCC2)c(C#N)cc1[*:1]
O=C(C[NH+]1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(C[NH+]1CCC(CC1)Cn1cc[nH+]c1-c1ccccc1)N[*:1]
O=C(C[NH+]1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] c1ccc(cc1)-c1[nH+]ccn1CC1CC[NH+](CC1)C[*:1]
O=C(C[NH+]1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)Cn1cc[nH+]c1[*:1])NC1CCCCC1
Cc1csc(/N=C2/S/C(=C\c3cccc(Cl)c3)C(=O)N2C)n1 Cc1csc(n1)[*:1] CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=N[*:1]
Cc1csc(/N=C2/S/C(=C\c3cccc(Cl)c3)C(=O)N2C)n1 Clc1cccc(c1)[*:1] Cc1csc(/N=C2/SC(=C[*:1])C(=O)N2C)n1
Cc1ccc(-c2nnco2)cc1NC(=O)N1CC[C@@H]2CCCC[C@H]21 c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)N1CC[C@@H]2CCCC[C@H]21)[*:1]
CSC[C@@H](C)N(C)C(=O)Nc1cccc(I)c1 CSC[*:1] C[C@@H](N(C)C(=O)Nc1cccc(I)c1)[*:1]
Cc1csc([C@H](NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C2CC2)n1 CC(C)(C)[*:1] Cc1csc(n1)[C@H](NC(=O)N[C@H](C)c1nc(no1)[*:1])C1CC1
Cc1csc([C@H](NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](NC(=O)N[C@H](C)c1nc(no1)C(C)(C)C)[*:1]
Cc1csc([C@H](NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C2CC2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)N[C@H](C1CC1)[*:1])c1nc(no1)C(C)(C)C
C[C@@H](CC1CC1)n1c(N)nc2cccnc21 C1CC1C[*:1] C[C@@H](n1c(N)nc2cccnc21)[*:1]
C[C@@H](CC1CC1)n1c(N)nc2cccnc21 C1CC1[*:1] C[C@@H](C[*:1])n1c(N)nc2cccnc21
O=C(NCCc1nc2ccccc2[nH]1)NC[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCc1nc2ccccc2[nH]1)NC[C@@H]1CCN(C1)[*:1]
O=C(NCCc1nc2ccccc2[nH]1)NC[C@@H]1CCN(c2ccccc2)C1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NCC[*:1])NC[C@@H]1CCN(C1)c1ccccc1
NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 NS(=O)(=O)[*:1] O=C(c1cccc(Cl)c1)N1CCC[C@H](C1)[*:1]
COc1cc(-c2ccccc2)sc1C(=O)NCc1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] COc1cc(sc1C(=O)NCc1nc2ccccc2[nH]1)[*:1]
O=C(Cc1cccc2ccccc12)Nc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)s1 c1ccc2c(cccc2c1)[*:1] O=C(C[*:1])Nc1nnc(s1)S(=O)(=O)Cc1ccc(Cl)cc1
O=C(Cc1cccc2ccccc12)Nc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] O=C(Cc1cccc2ccccc12)Nc1nnc(s1)S(=O)(=O)C[*:1]
O=C(Cc1cccc2ccccc12)Nc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)s1 Clc1ccc(cc1)C[*:1] O=C(Cc1cccc2ccccc12)Nc1nnc(s1)S(=O)(=O)[*:1]
O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(c1cnn(-c2ccccc2)c1NC(=O)[*:1])N1CCOCC1
O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1cccs1 O=C(N1CCOCC1)[*:1] O=C(Nc1c(cnn1-c1ccccc1)[*:1])c1cccs1
O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(c1cnn(-c2ccccc2)c1[*:1])N1CCOCC1
O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(Nc1c(cnn1[*:1])C(=O)N1CCOCC1)c1cccs1
CC(=O)N[C@H]1CSC[C@@H]1OC(C)=O CC(=O)N[*:1] CC(=O)O[C@H]1CSC[C@@H]1[*:1]
CC(=O)N[C@H]1CSC[C@@H]1OC(C)=O CC(=O)O[*:1] CC(=O)N[C@H]1CSC[C@H]1[*:1]
CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(OCC)cc1)C1=C(CCCC1=O)N2 CCO[*:1] CCCCn1c2NC3CCCC(=O)C=3[C@H](c3ccc(cc3)[*:1])c2c(=O)[nH]c1=O
CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(OCC)cc1)C1=C(CCCC1=O)N2 CCOc1ccc(cc1)[*:1] CCCCn1c2NC3CCCC(=O)C=3[C@H](c2c(=O)[nH]c1=O)[*:1]
CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(OCC)cc1)C1=C(CCCC1=O)N2 CCCC[*:1] CCOc1ccc(cc1)[C@H]1C2C(=O)CCCC=2Nc2c1c(=O)[nH]c(=O)n2[*:1]
CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(OCC)cc1)C1=C(CCCC1=O)N2 CCC[*:1] CCOc1ccc(cc1)[C@H]1C2C(=O)CCCC=2Nc2c1c(=O)[nH]c(=O)n2C[*:1]
CCc1c(C(=O)OCCN2CCOC2=O)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1c(cnn1[*:1])C(=O)OCCN1CCOC1=O
CCc1c(C(=O)OCCN2CCOC2=O)cnn1-c1cccc(Cl)c1 O=C1OCCN1[*:1] CCc1c(cnn1-c1cccc(Cl)c1)C(=O)OCC[*:1]
CCc1c(C(=O)OCCN2CCOC2=O)cnn1-c1cccc(Cl)c1 O=C1OCCN1C[*:1] CCc1c(cnn1-c1cccc(Cl)c1)C(=O)OC[*:1]
CCc1c(C(=O)OCCN2CCOC2=O)cnn1-c1cccc(Cl)c1 O=C1OCCN1CC[*:1] CCc1c(cnn1-c1cccc(Cl)c1)C(=O)O[*:1]
COc1ncccc1C(=O)N1CCC[C@H]1[C@H]1CCCC1=O O=C1CCC[C@@H]1[*:1] COc1ncccc1C(=O)N1CCC[C@@H]1[*:1]
Cc1cc(C)c(S(=O)(=O)NCC#CCOc2cccnc2)c(C)c1 c1cncc(c1)O[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCC#CC[*:1]
Cc1cc(C)c(S(=O)(=O)NCC#CCOc2cccnc2)c(C)c1 c1cncc(c1)OC[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCC#C[*:1]
Cc1cc(C)c(S(=O)(=O)NCC#CCOc2cccnc2)c(C)c1 c1cncc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCC#CCO[*:1]
CCn1cc(S(=O)(=O)Nc2ncn(Cc3ccccc3C)n2)cn1 CCn1cc(cn1)[*:1] Cc1ccccc1Cn1cnc(n1)NS(=O)(=O)[*:1]
CCn1cc(S(=O)(=O)Nc2ncn(Cc3ccccc3C)n2)cn1 Cc1ccccc1C[*:1] CCn1cc(cn1)S(=O)(=O)Nc1ncn(n1)[*:1]
CCn1cc(S(=O)(=O)Nc2ncn(Cc3ccccc3C)n2)cn1 Cc1ccccc1[*:1] CCn1cc(cn1)S(=O)(=O)Nc1ncn(C[*:1])n1
CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 c1ccc2CN(CCc2c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccc(cc1)C[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)CN1CCc2ccccc2C1
CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)CN1CCc2ccccc2C1
O=C(NC[C@](O)(Cc1ccccc1)c1cccs1)C1(c2ccc(F)cc2)CCOCC1 c1csc(c1)[*:1] O=C(NC[C@](O)(Cc1ccccc1)[*:1])C1(CCOCC1)c1ccc(F)cc1
O=C(NC[C@](O)(Cc1ccccc1)c1cccs1)C1(c2ccc(F)cc2)CCOCC1 Fc1ccc(cc1)[*:1] O=C(NC[C@](O)(Cc1ccccc1)c1cccs1)C1(CCOCC1)[*:1]
O=C(NC[C@](O)(Cc1ccccc1)c1cccs1)C1(c2ccc(F)cc2)CCOCC1 c1ccc(cc1)C[*:1] O=C(NC[C@](O)(c1cccs1)[*:1])C1(CCOCC1)c1ccc(F)cc1
O=C(NC[C@](O)(Cc1ccccc1)c1cccs1)C1(c2ccc(F)cc2)CCOCC1 c1ccc(cc1)[*:1] O=C(NC[C@](O)(C[*:1])c1cccs1)C1(CCOCC1)c1ccc(F)cc1
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)Nc2ccc(C)c(F)c2)c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1F)NC(=O)N[C@@H](C)c1cccc(c1)[*:1]
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)Nc2ccc(C)c(F)c2)c1 Cc1ccc(cc1F)[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)NC(=O)N[*:1]
CCOc1ccc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1c2c(n[nH]c2C(=O)N1C[C@H]1CCCO1)[*:1]
CCOc1ccc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1 CCO[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[C@H]3CCCO3)[C@@H](c3ccc(cc3)[*:1])c12
CCOc1ccc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[C@H]3CCCO3)[C@H](c12)[*:1]
CC(C)CC[C@H]([NH3+])c1cc(F)cc(Br)c1 CC(C)C[*:1] [NH3+][C@@H](C[*:1])c1cc(F)cc(Br)c1
CC(C)CC[C@H]([NH3+])c1cc(F)cc(Br)c1 CC(C)CC[*:1] [NH3+][C@H](c1cc(F)cc(Br)c1)[*:1]
CC(C)CC[C@H]([NH3+])c1cc(F)cc(Br)c1 CC(C)[*:1] [NH3+][C@@H](CC[*:1])c1cc(F)cc(Br)c1
COc1ccc(Cc2nccs2)cc1C=O c1csc(n1)[*:1] COc1ccc(cc1C=O)C[*:1]
COc1cccc([C@H](CNc2ccc(Cl)cn2)[NH+](C)C)c1 Clc1ccc(nc1)[*:1] COc1cccc(c1)[C@H](CN[*:1])[NH+](C)C
CC(C)Oc1ncnc(N[C@@H](C)CC2CC2)c1N C1CC1C[*:1] CC(C)Oc1ncnc(N[C@@H](C)[*:1])c1N
CC(C)Oc1ncnc(N[C@@H](C)CC2CC2)c1N C1CC1[*:1] CC(C)Oc1ncnc(N[C@@H](C)C[*:1])c1N
CC(C)Oc1ncnc(N[C@@H](C)CC2CC2)c1N C[C@@H](CC1CC1)[*:1] CC(C)Oc1ncnc(N[*:1])c1N
CC(C)Oc1ncnc(N[C@@H](C)CC2CC2)c1N CC(C)[*:1] C[C@@H](CC1CC1)Nc1ncnc(O[*:1])c1N
CC(C)Oc1ncnc(N[C@@H](C)CC2CC2)c1N CC(C)O[*:1] C[C@@H](CC1CC1)Nc1ncnc(c1N)[*:1]
CCc1noc(C)c1C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CCc1noc(C)c1C(=O)N[C@@H]1C[C@H](C)N(C1)[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)NCC(=O)N[*:1]
O=C(NCc1ccccc1F)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 Fc1ccccc1C[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1
O=C(NCc1ccccc1F)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 Fc1ccccc1[*:1] O=C(NC[*:1])c1ccc(cc1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1
CCC(CC)c1nnc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)s1 C1CCC(CC1)[*:1] CCC(CC)c1nnc(NC(=O)C(=O)N[C@@H]2C[C@H]2[*:1])s1
CCC(CC)c1nnc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)s1 CCC(CC)[*:1] O=C(Nc1nnc(s1)[*:1])C(=O)N[C@@H]1C[C@@H]1C1CCCCC1
Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)CCCn3cncn3)nc12 c1ncn(C[*:1])n1 Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)CC[*:1])nc12
Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)CCCn3cncn3)nc12 c1ncn(CCC[*:1])n1 Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)[*:1])nc12
Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)CCCn3cncn3)nc12 c1ncn(CC[*:1])n1 Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)C[*:1])nc12
Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)CCCn3cncn3)nc12 c1ncn(n1)[*:1] Cc1cc2ccccc2n2c(=O)n(C[C@H](C)NC(=O)CCC[*:1])nc12
CC(C)(C)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(c1ccc(F)cc1)C2=O Fc1ccc(cc1)[*:1] CC(C)(C)c1cc2C(=O)N([C@@](C)(Cn2n1)C(=O)NCc1ccccc1)[*:1]
CC(C)(C)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(c1ccc(F)cc1)C2=O O=C(NCc1ccccc1)[*:1] CC(C)(C)c1cc2C(=O)N(c3ccc(F)cc3)[C@](C)(Cn2n1)[*:1]
CC(C)(C)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(c1ccc(F)cc1)C2=O CC(C)(C)[*:1] C[C@]1(Cn2nc(cc2C(=O)N1c1ccc(F)cc1)[*:1])C(=O)NCc1ccccc1
CC(C)(C)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(c1ccc(F)cc1)C2=O c1ccc(cc1)[*:1] CC(C)(C)c1cc2C(=O)N(c3ccc(F)cc3)[C@@](C)(Cn2n1)C(=O)NC[*:1]
CC(C)(C)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(c1ccc(F)cc1)C2=O c1ccc(cc1)C[*:1] CC(C)(C)c1cc2C(=O)N(c3ccc(F)cc3)[C@@](C)(Cn2n1)C(=O)N[*:1]
CC(=O)N[C@@H]1Nc2ccc(NC(=O)[C@@H]3C=c4ccccc4=[NH+]3)cc2S1 CC(=O)N[*:1] O=C(Nc1ccc2N[C@H](Sc2c1)[*:1])[C@@H]1C=c2ccccc2=[NH+]1
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)n1ncnc1N2 Clc1cccc(Cl)c1[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@@H](C=21)[*:1])c1cccs1
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)n1ncnc1N2 c1csc(c1)[*:1] O=C1C[C@@H](CC2Nc3ncnn3[C@H](C=21)c1c(Cl)cccc1Cl)[*:1]
CC(C)[NH+](CCO)Cc1ccc(C#N)cc1 OCC[*:1] CC(C)[NH+](Cc1ccc(C#N)cc1)[*:1]
CC(C)[NH+](CCO)Cc1ccc(C#N)cc1 CC(C)[*:1] N#Cc1ccc(cc1)C[NH+](CCO)[*:1]
CN(Cc1ccccc1Cl)C(=O)[C@H]1Cc2[nH+]c[nH]c2CN1 Clc1ccccc1[*:1] CN(C[*:1])C(=O)[C@H]1Cc2[nH+]c[nH]c2CN1
O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1cc(nn1-c1nc2CCCCc2c(=O)[nH]1)-c1cccs1)[*:1]
O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)c1ccccc1Cl O=C(N[*:1])c1ccccc1Cl O=c1[nH]c(nc2CCCCc21)-n1nc(cc1[*:1])-c1cccs1
O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)c1ccccc1Cl c1csc(c1)[*:1] O=C(Nc1cc(nn1-c1nc2CCCCc2c(=O)[nH]1)[*:1])c1ccccc1Cl
Fc1ccccc1C1(C[C@H]2CCCO2)C[NH2+]C1 C1CO[C@H](C1)[*:1] Fc1ccccc1C1(C[NH2+]C1)C[*:1]
C/C(=N/NC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C(=N/NC(=O)c1cnccn1)c1cccc(c1)[*:1]
C/C(=N/NC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 c1cnc(cn1)[*:1] C/C(=N/NC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
CC(C)(C)OC(=O)N1CC(=CC(=O)NCc2cccc3cccnc23)C1 CC(C)(C)[*:1] O=C(C=C1CN(C1)C(=O)O[*:1])NCc1cccc2cccnc12
O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)Nc1ccc(F)cc1 c1coc(c1)[*:1] O=C(NC[C@H](N1CCc2ccccc2C1)[*:1])Nc1ccc(F)cc1
O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)N[*:1]
CC(C)C[NH2+]CC(C)(C)Cn1ccc(C(F)(F)F)n1 CC(C)[*:1] CC(C)(C[NH2+]C[*:1])Cn1ccc(n1)C(F)(F)F
CC(C)C[NH2+]CC(C)(C)Cn1ccc(C(F)(F)F)n1 FC(F)(F)[*:1] CC(C)C[NH2+]CC(C)(C)Cn1ccc(n1)[*:1]
CC(C)C[NH2+]CC(C)(C)Cn1ccc(C(F)(F)F)n1 CC(C)C[*:1] CC(C)(C[NH2+][*:1])Cn1ccc(n1)C(F)(F)F
CN1CCC(CNC(=O)NCC(C)(C)c2ccccc2)([NH+]2CCCCC2)CC1 c1ccc(cc1)[*:1] CN1CCC(CC1)(CNC(=O)NCC(C)(C)[*:1])[NH+]1CCCCC1
CN1CCC(CNC(=O)NCC(C)(C)c2ccccc2)([NH+]2CCCCC2)CC1 CC(C)(c1ccccc1)[*:1] CN1CCC(CC1)(CNC(=O)NC[*:1])[NH+]1CCCCC1
O=C(c1cccc(Cl)c1)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(c1cccc(Cl)c1)N1CCC(CC1)C[*:1]
O=C(c1cccc(Cl)c1)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] O=C(c1cccc(Cl)c1)N1CCC(CC1)[*:1]
O=C(c1cccc(Cl)c1)N1CCC(CN2CCOCC2)CC1 Clc1cccc(c1)[*:1] O=C(N1CCC(CC1)CN1CCOCC1)[*:1]
O=C(OCC1CC1)c1ccccc1C(=O)c1ccc(F)cc1 O=C(OCC1CC1)[*:1] O=C(c1ccc(F)cc1)c1ccccc1[*:1]
O=C(OCC1CC1)c1ccccc1C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(OCC1CC1)c1ccccc1C(=O)[*:1]
O=C(OCC1CC1)c1ccccc1C(=O)c1ccc(F)cc1 C1CC1[*:1] O=C(OC[*:1])c1ccccc1C(=O)c1ccc(F)cc1
O=C(OCC1CC1)c1ccccc1C(=O)c1ccc(F)cc1 C1CC1C[*:1] O=C(O[*:1])c1ccccc1C(=O)c1ccc(F)cc1
Cc1ccc(N2C[C@@H](C(=O)OCc3nc(C)no3)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1noc(COC(=O)[C@H]2CC(=O)N(C2)[*:1])n1
Cc1ccc(N2C[C@@H](C(=O)OCc3nc(C)no3)CC2=O)cc1 Cc1noc(C[*:1])n1 Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)O[*:1]
Cc1ccc(N2C[C@@H](C(=O)OCc3nc(C)no3)CC2=O)cc1 Cc1noc(n1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)OC[*:1]
CCOC(=O)c1cnn2c([O-])cc(CCl)nc12 CCOC(=O)[*:1] [O-]c1cc(CCl)nc2c(cnn12)[*:1]
COc1cc(C(=O)Nc2cc(C)ccc2F)cc(NC(C)=O)c1OC CC(=O)N[*:1] COc1cc(cc(c1OC)[*:1])C(=O)Nc1cc(C)ccc1F
COc1cc(C(=O)Nc2cc(C)ccc2F)cc(NC(C)=O)c1OC Cc1ccc(F)c(c1)[*:1] COc1cc(cc(NC(C)=O)c1OC)C(=O)N[*:1]
COCCn1/c(=N/S(=O)(=O)c2ccccc2)sc2cc(F)ccc21 c1ccc(cc1)[*:1] COCCn1/c(=N/S(=O)(=O)[*:1])sc2cc(F)ccc21
COCCn1/c(=N/S(=O)(=O)c2ccccc2)sc2cc(F)ccc21 COC[*:1] O=S(=O)(/N=c1\sc2cc(F)ccc2n1C[*:1])c1ccccc1
COCCn1/c(=N/S(=O)(=O)c2ccccc2)sc2cc(F)ccc21 COCC[*:1] O=S(=O)(/N=c1\sc2cc(F)ccc2n1[*:1])c1ccccc1
COCCN1C[C@H](C(=O)Oc2ccc(C)cc2C)CC1=O COCC[*:1] Cc1ccc(OC(=O)[C@@H]2CC(=O)N(C2)[*:1])c(C)c1
COCCN1C[C@H](C(=O)Oc2ccc(C)cc2C)CC1=O COC[*:1] Cc1ccc(OC(=O)[C@@H]2CC(=O)N(C2)C[*:1])c(C)c1
Cc1ccc(-n2cc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c(-c3ccccc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cn(nc1-c1ccccc1)[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
Cc1ccc(-n2cc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1cc(C(=O)N2CCN(CC2)C(=O)[C@H]2CCCO2)c(n1)[*:1]
O=C(NNC(=O)N[C@@H]1CCSc2ccc(F)cc21)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NNC(=O)N[*:1])N[C@@H]1CCSc2ccc(F)cc21
C1CC2(C1)C[C@@H]([NH2+]C1COC1)CCO2 C1OCC1[*:1] C1CC2(C1)C[C@H](CCO2)[NH2+][*:1]
C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 O=[N+]([O-])[*:1] C[C@@H]1CCN(C(=O)c2ccccc2[*:1])c2ccccc21
CC1(C)C[C@H](NS(=O)(=O)c2ccccc2)[C@@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12 O=C(N1CCCC1)[*:1] CC1(C)C[C@H](NS(=O)(=O)c2ccccc2)[C@]2(CC[C@](C)(O)C[C@@H]12)CC[*:1]
CC1(C)C[C@H](NS(=O)(=O)c2ccccc2)[C@@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12 O=C(C[*:1])N1CCCC1 CC1(C)C[C@H](NS(=O)(=O)c2ccccc2)[C@]2(CC[C@](C)(O)C[C@@H]12)C[*:1]
CC1(C)C[C@H](NS(=O)(=O)c2ccccc2)[C@@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12 O=C(CC[*:1])N1CCCC1 CC1(C)C[C@H](NS(=O)(=O)c2ccccc2)[C@]2(CC[C@](C)(O)C[C@@H]12)[*:1]
CC1(C)C[C@H](NS(=O)(=O)c2ccccc2)[C@@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12 O=S(=O)(N[*:1])c1ccccc1 CC1(C)C[C@H]([C@@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12)[*:1]
CC1(C)C[C@H](NS(=O)(=O)c2ccccc2)[C@@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12 c1ccc(cc1)[*:1] CC1(C)C[C@H](NS(=O)(=O)[*:1])[C@@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12
C[C@@H]1C[NH+](Cc2cn(CC[NH3+])nn2)C[C@H]1C [NH3+]CC[*:1] C[C@@H]1C[NH+](Cc2cn(nn2)[*:1])C[C@H]1C
Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Br)cc4)sc3nc12 Brc1ccc(cc1)[*:1] Cc1cccn2c(=O)c3cc(sc3nc12)C(=O)N[*:1]
CCc1ccc(-c2ccc3nnc(SCC(=O)Nc4cccc(F)c4)n3n2)cc1 CCc1ccc(cc1)[*:1] O=C(CSc1nnc2ccc(nn12)[*:1])Nc1cccc(F)c1
CCc1ccc(-c2ccc3nnc(SCC(=O)Nc4cccc(F)c4)n3n2)cc1 Fc1cccc(c1)[*:1] CCc1ccc(cc1)-c1ccc2nnc(SCC(=O)N[*:1])n2n1
Cc1c(N)nnn1-c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(N)nnn1-c1ccccc1[*:1]
CNC(=S)NCCC1=c2cc(Cl)ccc2=[NH+][C@H]1C CNC(=S)N[*:1] C[C@@H]1[NH+]=c2ccc(Cl)cc2=C1CC[*:1]
CNC(=S)NCCC1=c2cc(Cl)ccc2=[NH+][C@H]1C CNC(=S)NC[*:1] C[C@@H]1[NH+]=c2ccc(Cl)cc2=C1C[*:1]
O=C(O[C@@H]1CCc2ccc(Cl)cc21)[C@H]1COCCO1 C1CO[C@H](CO1)[*:1] O=C(O[C@@H]1CCc2ccc(Cl)cc21)[*:1]
COC(=O)c1cn([C@H]2[C@@H]3OC(C)(C)O[C@H]3O[C@H]2[C@H](O)CO)nn1 OC[C@@H](O)[*:1] COC(=O)c1cn(nn1)[C@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@@H]1[*:1]
COC(=O)c1cn([C@H]2[C@@H]3OC(C)(C)O[C@H]3O[C@H]2[C@H](O)CO)nn1 COC(=O)[*:1] CC1(C)O[C@@H]2[C@H](O[C@@H]([C@H](O)CO)[C@H]2n2cc(nn2)[*:1])O1
COc1ccc(-c2nc(CN3CC[C@@]4(CCCO4)CCC3=O)c(C)o2)cc1 COc1ccc(cc1)[*:1] Cc1oc(nc1CN1CC[C@@]2(CCCO2)CCC1=O)[*:1]
O=C1/C(=C\c2ccc(Cl)nc2)C2(CCC2)Oc2ccccc21 Clc1ccc(cn1)[*:1] O=C1C(=C[*:1])C2(CCC2)Oc2ccccc21
O=C(CSc1nnc(-c2cccs2)o1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] O=C(CSc1nnc(o1)-c1cccs1)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(CSc1nnc(-c2cccs2)o1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
Cc1ccc(S(=O)(=O)NCCOCC(F)(F)F)cc1F FC(F)(F)CO[*:1] Cc1ccc(cc1F)S(=O)(=O)NCC[*:1]
Cc1ccc(S(=O)(=O)NCCOCC(F)(F)F)cc1F FC(F)(F)C[*:1] Cc1ccc(cc1F)S(=O)(=O)NCCO[*:1]
Cc1ccc(S(=O)(=O)NCCOCC(F)(F)F)cc1F FC(F)(F)[*:1] Cc1ccc(cc1F)S(=O)(=O)NCCOC[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)cc1 COc1ccc(cc1)[*:1] Cc1cc2NC(=O)[C@@H](C)Oc2cc1S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)cc1 COc1ccc(cc1)NC(=O)[*:1] Cc1cc2NC(=O)[C@@H](C)Oc2cc1S(=O)(=O)N1CCC[C@H](C1)[*:1]
O=C(Nc1cccc(Cl)c1)C1CN(S(=O)(=O)C2CC2)C1 C1CC1[*:1] O=C(Nc1cccc(Cl)c1)C1CN(C1)S(=O)(=O)[*:1]
CCC1CCC([NH+]2CCN(c3cc(C)nc4ncnn34)CC2)CC1 CCC1CCC(CC1)[*:1] Cc1cc(N2CC[NH+](CC2)[*:1])n2ncnc2n1
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2C)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)NS(=O)(=O)c1cc(ccc1C)C(=O)NC[*:1]
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2C)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])C(=O)NCc1ccc(Cl)cc1
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2C)c1 Clc1ccc(cc1)C[*:1] Cc1cccc(c1)NS(=O)(=O)c1cc(ccc1C)C(=O)N[*:1]
CC(C)[C@H](CNC(=O)N1CC[C@@H]([N+]2=CCCC2)C1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@H](CNC(=O)N1CC[C@H](C1)[N+]1=CCCC1)[*:1]
CC(C)[C@H](CNC(=O)N1CC[C@@H]([N+]2=CCCC2)C1)N1CCOCC1 CC(C)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])N1CC[C@H](C1)[N+]1=CCCC1
CCOC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 c1cc2OCOc2cc1[*:1] CCOC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
CCOC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 CCOC(=O)C[*:1] c1ccc(cc1)-n1c(nnc1-c1ccc2OCOc2c1)S[*:1]
CCOC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)CSc1nnc(-c2ccc3OCOc3c2)n1[*:1]
CCOC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 CCOC(=O)[*:1] c1ccc(cc1)-n1c(nnc1-c1ccc2OCOc2c1)SC[*:1]
CCOC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 CCOC(=O)CS[*:1] c1ccc(cc1)-n1c(nnc1[*:1])-c1ccc2OCOc2c1
NS(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1 NS(=O)(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1nn(-c2ccc(F)cc2)c2CCCCc12
NS(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1 Fc1ccc(cc1)[*:1] NS(=O)(=O)c1cccc(c1)NC(=O)c1nn(c2CCCCc12)[*:1]
NC(=O)N1CCC[C@H](C(=O)NCc2ccc(C[NH+]3CCCCCCC3)cc2)C1 NC(=O)N1CCC[C@H](C1)[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCCCC1)[*:1]
COCc1cccc(NC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)c1 COCc1cccc(c1)[*:1] Cc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)N[*:1]
COCc1cccc(NC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)c1 COC[*:1] Cc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)Nc1cccc(c1)[*:1]
COCc1cccc(NC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)c1 Cc1cccc(c1)[*:1] COCc1cccc(c1)NC(=O)N1CCCN(CC1)C(=O)[*:1]
C[NH2+]Cc1ccc(OCc2c[nH+]cn2C)c(Cl)c1 C[NH2+]C[*:1] Cn1c[nH+]cc1COc1ccc(cc1Cl)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)c1ncccc1C(F)(F)F c1cc(ccn1)[*:1] C[C@@H](N(C)C(=O)c1ncccc1C(F)(F)F)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](c1ccncc1)N(C)C(=O)c1ncccc1[*:1]
CC(C)[C@]1(C[C@@H]2Cc3ccccc32)CCCCC[NH2+]1 CC(C)[*:1] c1ccc2c(c1)C[C@H]2C[C@@]1(CCCCC[NH2+]1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1cncc(Br)c1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)c1cncc(Br)c1)[*:1]
C[C@H]1CN(CC(=O)Nc2nccs2)C[C@@H](C)S1 c1csc(n1)[*:1] C[C@H]1CN(CC(=O)N[*:1])C[C@@H](C)S1
COC(=O)[C@H]1CCCN1C(=O)C1=C[C@@H](NC(=O)c2cc(OC)ccc2Br)[C@@H](O)[C@H](O)C1 COc1ccc(Br)c(c1)[*:1] COC(=O)[C@H]1CCCN1C(=O)C1=C[C@@H](NC(=O)[*:1])[C@@H](O)[C@H](O)C1
COC(=O)[C@H]1CCCN1C(=O)C1=C[C@@H](NC(=O)c2cc(OC)ccc2Br)[C@@H](O)[C@H](O)C1 COC(=O)[*:1] COc1ccc(Br)c(c1)C(=O)N[C@@H]1C=C(C[C@@H](O)[C@@H]1O)C(=O)N1CCC[C@@H]1[*:1]
COc1ccccc1[C@@H]([NH2+]CC(C)(C)O)C1CCCC1 CC(C)(O)[*:1] COc1ccccc1[C@@H]([NH2+]C[*:1])C1CCCC1
COc1ccccc1[C@@H]([NH2+]CC(C)(C)O)C1CCCC1 C1CCC(C1)[*:1] COc1ccccc1[C@@H]([NH2+]CC(C)(C)O)[*:1]
Cc1ccc(C(=O)Nc2nc(S(C)(=O)=O)oc2-c2ccccc2)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1nc(oc1-c1ccccc1)[*:1]
Cc1ccc(C(=O)Nc2nc(S(C)(=O)=O)oc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)Nc1nc(oc1[*:1])S(C)(=O)=O
Cc1ccc(C(=O)Nc2nc(S(C)(=O)=O)oc2-c2ccccc2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)c1nc(NC(=O)[*:1])c(o1)-c1ccccc1
CCOCCC(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21 CCO[*:1] Cc1cnn(c1NC(=O)CC[*:1])[C@@H]1CCCc2ccccc21
CCOCCC(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21 CCOCCC(=O)N[*:1] Cc1cnn(c1[*:1])[C@@H]1CCCc2ccccc21
CCOCCC(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21 CCOCC[*:1] Cc1cnn(c1NC(=O)[*:1])[C@@H]1CCCc2ccccc21
CCOCCC(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21 CCOC[*:1] Cc1cnn(c1NC(=O)C[*:1])[C@@H]1CCCc2ccccc21
Cc1nn2c(C)c(C(=O)NCc3ccccc3F)cnc2c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn2c(C)c(cnc2c1[*:1])C(=O)NCc1ccccc1F
Cc1nn2c(C)c(C(=O)NCc3ccccc3F)cnc2c1-c1ccc(F)cc1 Fc1ccccc1C[*:1] Cc1nn2c(C)c(cnc2c1-c1ccc(F)cc1)C(=O)N[*:1]
Cc1nn2c(C)c(C(=O)NCc3ccccc3F)cnc2c1-c1ccc(F)cc1 Fc1ccccc1[*:1] Cc1nn2c(C)c(cnc2c1-c1ccc(F)cc1)C(=O)NC[*:1]
O=C(CCOc1ccccc1-c1ccccc1)N1CCN(CCO)CC1 c1ccc(cc1)[*:1] O=C(CCOc1ccccc1[*:1])N1CCN(CCO)CC1
O=C(CCOc1ccccc1-c1ccccc1)N1CCN(CCO)CC1 OCC[*:1] O=C(CCOc1ccccc1-c1ccccc1)N1CCN(CC1)[*:1]
COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2scnc2C)cc1 Cc1ncsc1[*:1] COc1ccc(cc1)CCN(CC1CC[NH+](C)CC1)C(=O)[*:1]
COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2scnc2C)cc1 COc1ccc(cc1)C[*:1] Cc1ncsc1C(=O)N(CC1CC[NH+](C)CC1)C[*:1]
COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2scnc2C)cc1 COc1ccc(cc1)[*:1] Cc1ncsc1C(=O)N(CC[*:1])CC1CC[NH+](C)CC1
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2)CC1 Cc1noc(C)c1[*:1] O=C(NNC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccc(Cl)cc1
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)C(=O)NNC(=O)[*:1]
Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(F)c2)n(C)c1=O Fc1cccc(c1)[*:1] Cn1c(=O)c2c(ncn2CC(=O)N[*:1])n(C)c1=O
CCc1cccc(S(=O)(=O)N[C@H](C)c2nc(C3CCCC3)no2)c1 C1CCC(C1)[*:1] CCc1cccc(c1)S(=O)(=O)N[C@H](C)c1nc(no1)[*:1]
CCc1cccc(S(=O)(=O)N[C@H](C)c2nc(C3CCCC3)no2)c1 CCc1cccc(c1)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1nc(no1)C1CCCC1
C[C@@H](SCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@@H](SCC(=O)N1CCc2cc(ccc21)S(N)(=O)=O)[*:1]
C[C@@H](SCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)c1c(F)cccc1F NS(=O)(=O)[*:1] C[C@@H](SCC(=O)N1CCc2cc(ccc21)[*:1])c1c(F)cccc1F
CCOc1ccccc1O[C@H]1CCC[C@@H]1NC(=O)c1ccc(OC)nc1 COc1ccc(cn1)[*:1] CCOc1ccccc1O[C@H]1CCC[C@@H]1NC(=O)[*:1]
CCOc1ccccc1O[C@H]1CCC[C@@H]1NC(=O)c1ccc(OC)nc1 CCO[*:1] COc1ccc(cn1)C(=O)N[C@H]1CCC[C@@H]1Oc1ccccc1[*:1]
CC(C)[C@@H]1C(=O)NCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] CC(C)[C@@H]1C(=O)NCCN1Cc1csc(n1)-c1cccc(c1)[*:1]
CC(C)[C@@H]1C(=O)NCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 CC(C)[*:1] O=C1NCCN(Cc2csc(n2)-c2cccc(c2)[N+](=O)[O-])[C@@H]1[*:1]
Cc1noc([C@@H]2CCCN(Cn3ccc(-c4ccc(F)cc4)n3)C2)n1 Cc1noc(n1)[*:1] Fc1ccc(cc1)-c1ccn(CN2CCC[C@H](C2)[*:1])n1
Cc1noc([C@@H]2CCCN(Cn3ccc(-c4ccc(F)cc4)n3)C2)n1 Fc1ccc(cc1)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)Cn1ccc(n1)[*:1]
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)[N-]c1ccccc1F
CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1 CC(C)[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)N[C@H](C)c1ccc(cc1)O[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1 CC(C)O[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1 CCC(=O)N[*:1] Cc1ccc(cc1NC(=O)N[C@H](C)c1ccc(cc1)OC(C)C)[*:1]
CC[C@@H](NC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)[*:1]
CC[C@@H](NC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)c1ccc(C)c(F)c1 CN(C)C(=O)[*:1] CC[C@@H](NC(=O)Nc1ccc(c(C)c1)[*:1])c1ccc(C)c(F)c1
C=C(C)[C@H]([NH3+])c1ccc(F)cc1 C=C(C)[*:1] [NH3+][C@H](c1ccc(F)cc1)[*:1]
Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)[*:1])-c1ccccn1
Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(c2ccccc2O)CC1 c1ccc(nc1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)c1ccccc1O)[*:1]
C[C@H]([NH2+][C@H](C)c1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1 C[C@H](c1ccccc1)[*:1] C[C@H]([NH2+][*:1])c1ccc(cc1)N1CCCS1(=O)=O
C[C@H]([NH2+][C@H](C)c1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] C[C@H]([NH2+][C@H](C)c1ccccc1)c1ccc(cc1)[*:1]
C[C@H]([NH2+][C@H](C)c1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1ccc(cc1)N1CCCS1(=O)=O
O=C(Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(Nc1cccc(c1)OCc1cc(=O)n2cc(Cl)ccc2n1)N[*:1]
O=C(c1cccc(-n2cncn2)c1)N(CC1CCC1)c1ccccc1 C1CC(C1)[*:1] O=C(c1cccc(c1)-n1cncn1)N(C[*:1])c1ccccc1
O=C(c1cccc(-n2cncn2)c1)N(CC1CCC1)c1ccccc1 c1ncn(n1)[*:1] O=C(c1cccc(c1)[*:1])N(CC1CCC1)c1ccccc1
O=C(c1cccc(-n2cncn2)c1)N(CC1CCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)-n1cncn1)N(CC1CCC1)[*:1]
O=C(c1cccc(-n2cncn2)c1)N(CC1CCC1)c1ccccc1 C1CC(C1)C[*:1] O=C(c1cccc(c1)-n1cncn1)N(c1ccccc1)[*:1]
CCNC(=O)CN(CC)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 CCNC(=O)[*:1] CCN(C[*:1])C(=O)N[C@@H](C)c1ccc(cc1)-n1ccnc1
CCNC(=O)CN(CC)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CCNC(=O)CN(CC)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCNC(=O)CN(CC)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 CCNC(=O)C[*:1] CCN(C(=O)N[C@@H](C)c1ccc(cc1)-n1ccnc1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)CC1 COc1ccccc1[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)CC1 CCOC(=O)[*:1] COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(C)(CC1)[*:1]
O=C(CN1C(=O)[C@H]2CCCN2C1=O)N[C@@H](c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(CN1C(=O)[C@H]2CCCN2C1=O)N[C@@H](c1ccccc1)[*:1]
O=C(CN1C(=O)[C@H]2CCCN2C1=O)N[C@@H](c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(CN1C(=O)[C@H]2CCCN2C1=O)N[C@@H](c1cccs1)[*:1]
NC(=O)c1ccccc1N[C@@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] NC(=O)c1ccccc1N[C@@H]1CCCCC[C@H]1[*:1]
NC(=O)c1ccccc1N[C@@H]1CCCCC[C@@H]1C(=O)[O-] NC(=O)[*:1] O=C([O-])[C@H]1CCCCC[C@H]1Nc1ccccc1[*:1]
C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 c1ccc(cc1)O[*:1] C[C@@H](CC[*:1])C(=O)N[C@@H](C)c1ccc2OCCOc2c1
C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 c1ccc(cc1)OC[*:1] C[C@@H](C[*:1])C(=O)N[C@@H](C)c1ccc2OCCOc2c1
C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@@H](CCO[*:1])C(=O)N[C@@H](C)c1ccc2OCCOc2c1
CC1=NC(C)=C(C(=O)N2CCCCC2)[C@H]1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 O=C(N1CCCCC1)[*:1] CC1=NC(C)=C([C@H]1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C#N)cc1)[*:1]
CC1=NC(C)=C(C(=O)N2CCCCC2)[C@H]1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)NC(=O)[*:1] CC1=NC(C)=C(C(=O)N2CCCCC2)[C@H]1S(=O)(=O)N1CCC(CC1)[*:1]
CC1=NC(C)=C(C(=O)N2CCCCC2)[C@H]1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] CC1=NC(C)=C(C(=O)N2CCCCC2)[C@H]1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1noc2nc(C3CCN(C(=O)COC[C@H]4CCCO4)CC3)cc(C(F)(F)F)c12 FC(F)(F)[*:1] Cc1noc2nc(cc(c12)[*:1])C1CCN(CC1)C(=O)COC[C@H]1CCCO1
O=C(c1ccc([N-]S(=O)(=O)CCC2CC2)cc1)N1CCc2ccccc21 C1CC1[*:1] O=C(c1ccc(cc1)[N-]S(=O)(=O)CC[*:1])N1CCc2ccccc21
O=C(c1ccc([N-]S(=O)(=O)CCC2CC2)cc1)N1CCc2ccccc21 C1CC1C[*:1] O=C(c1ccc(cc1)[N-]S(=O)(=O)C[*:1])N1CCc2ccccc21
O=C(c1ccc([N-]S(=O)(=O)CCC2CC2)cc1)N1CCc2ccccc21 C1CC1CC[*:1] O=C(c1ccc(cc1)[N-]S(=O)(=O)[*:1])N1CCc2ccccc21
Cc1cccnc1CN(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 Fc1ccccc1C[*:1] Cc1cccnc1CN(C)C(=O)c1ccc2nc(oc2c1)[*:1]
Cc1cccnc1CN(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 Cc1cccnc1[*:1] CN(C[*:1])C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1
Cc1cccnc1CN(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 Cc1cccnc1C[*:1] CN(C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1)[*:1]
Cc1cccnc1CN(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 Fc1ccccc1[*:1] Cc1cccnc1CN(C)C(=O)c1ccc2nc(C[*:1])oc2c1
C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)[*:1]
O=C(Nc1ccc2c(c1)CCC2)C(=O)N[C@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(Nc1ccc2CCCc2c1)C(=O)N[C@H](c1ccccc1)[*:1]
O=C(Nc1ccc2c(c1)CCC2)C(=O)N[C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc2CCCc2c1)C(=O)N[C@H](C1CC1)[*:1]
C[C@@H](Sc1nnc([O-])n1CCc1ccccc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O c1ccc(cc1)CC[*:1] C[C@@H](Sc1nnc([O-])n1[*:1])C(=O)c1c(N)n(C)c(=O)n(C)c1=O
C[C@@H](Sc1nnc([O-])n1CCc1ccccc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O c1ccc(cc1)C[*:1] C[C@@H](Sc1nnc([O-])n1C[*:1])C(=O)c1c(N)n(C)c(=O)n(C)c1=O
C[C@@H](Sc1nnc([O-])n1CCc1ccccc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O c1ccc(cc1)[*:1] C[C@@H](Sc1nnc([O-])n1CC[*:1])C(=O)c1c(N)n(C)c(=O)n(C)c1=O
O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1O Oc1ccccc1[*:1] O=C(NNS(=O)(=O)c1cccc(Cl)c1)[*:1]
O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1O Clc1cccc(c1)[*:1] O=C(NNS(=O)(=O)[*:1])c1ccccc1O
CCCCN(C)C(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O CCC[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)C(=O)N(C)C[*:1]
CCCCN(C)C(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O CCCC[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)C(=O)N(C)[*:1]
Cc1nc(COc2ccccc2)sc1C(=O)N1CCOCC1 c1ccc(cc1)[*:1] Cc1nc(CO[*:1])sc1C(=O)N1CCOCC1
Cc1nc(COc2ccccc2)sc1C(=O)N1CCOCC1 c1ccc(cc1)O[*:1] Cc1nc(C[*:1])sc1C(=O)N1CCOCC1
COC(=O)C[C@@H](C)NC(=O)c1ccc2c(c1)nc(C)n2C COC(=O)[*:1] Cc1nc2cc(ccc2n1C)C(=O)N[C@H](C)C[*:1]
COC(=O)C[C@@H](C)NC(=O)c1ccc2c(c1)nc(C)n2C COC(=O)C[*:1] Cc1nc2cc(ccc2n1C)C(=O)N[C@H](C)[*:1]
COC(=O)C[C@@H](C)NC(=O)c1ccc2c(c1)nc(C)n2C COC(=O)C[C@@H](C)[*:1] Cc1nc2cc(ccc2n1C)C(=O)N[*:1]
C[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C CC(C)(C)[*:1] C[NH2+]C[C@@H]1CCCO[C@@H]1[*:1]
Cc1nc(N2CCCC2)nc(C[C@@H]2CCCO2)c1C C1CO[C@@H](C1)C[*:1] Cc1nc(nc(c1C)[*:1])N1CCCC1
Cc1nc(N2CCCC2)nc(C[C@@H]2CCCO2)c1C C1CCN(C1)[*:1] Cc1nc(nc(C[C@@H]2CCCO2)c1C)[*:1]
Cc1nc(N2CCCC2)nc(C[C@@H]2CCCO2)c1C C1CO[C@@H](C1)[*:1] Cc1nc(nc(C[*:1])c1C)N1CCCC1
Cc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3)c3ccccn3)oc2c1 c1ccc(nc1)[*:1] Cc1ccc2c(=O)cc(oc2c1)C(=O)N(Cc1ccccc1)[*:1]
Cc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3)c3ccccn3)oc2c1 c1ccc(cc1)C[*:1] Cc1ccc2c(=O)cc(oc2c1)C(=O)N(c1ccccn1)[*:1]
Cc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3)c3ccccn3)oc2c1 c1ccc(cc1)[*:1] Cc1ccc2c(=O)cc(oc2c1)C(=O)N(C[*:1])c1ccccn1
N#C/C(=C\c1cc(Br)c2c(c1)OCO2)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] N#C/C(=C\c1cc(Br)c2OCOc2c1)c1nc(N)nc(n1)N[*:1]
N#C/C(=C\c1cc(Br)c2c(c1)OCO2)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] N#C/C(=C\c1cc(Br)c2OCOc2c1)c1nc(N)nc(n1)[*:1]
CC1CCN(C(=O)N(CC(N)=O)[C@@H]2CC[NH2+]C2)CC1 NC(=O)C[*:1] CC1CCN(CC1)C(=O)N([C@@H]1CC[NH2+]C1)[*:1]
CC1CCN(C(=O)N(CC(N)=O)[C@@H]2CC[NH2+]C2)CC1 NC(=O)[*:1] CC1CCN(CC1)C(=O)N(C[*:1])[C@@H]1CC[NH2+]C1
CC[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1cnn(C)c1 CC(C)(O)[*:1] CC[C@H](NC(=O)c1cccc(c1)CC[*:1])c1cnn(C)c1
CC[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1cnn(C)c1 CC(C)(O)C[*:1] CC[C@H](NC(=O)c1cccc(c1)C[*:1])c1cnn(C)c1
CC[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@H](NC(=O)c1cccc(c1)CCC(C)(C)O)[*:1]
CC[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1cnn(C)c1 CC(C)(O)CC[*:1] CC[C@H](NC(=O)c1cccc(c1)[*:1])c1cnn(C)c1
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc(cc1C(=O)N1CCN(CC1)C[*:1])S(=O)(=O)N1CCCCC1
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccc(cc1C(=O)N1CCN(CC1)[*:1])S(=O)(=O)N1CCCCC1
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(Cc2ccccc2)CC1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(cc1C(=O)N1CCN(CC1)Cc1ccccc1)[*:1]
COc1cccc(C(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)c1F Cc1ccc(cc1)[*:1] COc1cccc(C(=O)N2CCC(CC2)C(=O)[*:1])c1F
CCCCCC(C)(C)CNc1cccc[nH+]1 CCCCC[*:1] CC(C)(CNc1cccc[nH+]1)[*:1]
CCCCCC(C)(C)CNc1cccc[nH+]1 CCC[*:1] CC(C)(CC[*:1])CNc1cccc[nH+]1
CCCCCC(C)(C)CNc1cccc[nH+]1 CCCC[*:1] CC(C)(CNc1cccc[nH+]1)C[*:1]
CC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)NC(N)=O NC(=O)NC(=O)C[*:1] CC[NH+](CC(=O)NCc1ccc(F)cc1)[*:1]
CC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)NC(N)=O NC(=O)NC(=O)[*:1] CC[NH+](CC(=O)NCc1ccc(F)cc1)C[*:1]
CC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)NC(N)=O Fc1ccc(cc1)[*:1] CC[NH+](CC(=O)NC[*:1])CC(=O)NC(N)=O
CC(=O)N1CC[C@H](C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 O=C(N1CCCC1)[*:1] CC(=O)N1CC[C@@H](C1)C(=O)N1CCN(CC1)[C@@H](C)[*:1]
CC(=O)N1CC[C@H](C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 CC(=O)N1CC[C@H](C1)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)[*:1]
Cn1c(Cl)cnc1CN1Cc2ccccc2C[C@H]1C(N)=O Cn1c(Cl)cnc1[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C[*:1]
Cn1c(Cl)cnc1CN1Cc2ccccc2C[C@H]1C(N)=O NC(=O)[*:1] Cn1c(Cl)cnc1CN1Cc2ccccc2C[C@@H]1[*:1]
Cc1[nH+]ccn1CCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] Cc1[nH+]ccn1CCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1Br Brc1ccccc1[*:1] O=C(c1cccc(c1)NC(=O)[*:1])N1CCCC1
O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1Br O=C(N1CCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1Br
CNC(=O)c1cc(NC(=O)NCCOc2cccc(C)c2)ccc1Cl Cc1cccc(c1)[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)NCCO[*:1]
CNC(=O)c1cc(NC(=O)NCCOc2cccc(C)c2)ccc1Cl CNC(=O)[*:1] Cc1cccc(c1)OCCNC(=O)Nc1ccc(Cl)c(c1)[*:1]
CNC(=O)c1cc(NC(=O)NCCOc2cccc(C)c2)ccc1Cl Cc1cccc(c1)O[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)NCC[*:1]
CC(=O)Nc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 CC(=O)N[*:1] Cc1ccc2[nH]c(nc2c1)-c1ccc(cc1)[*:1]
COCCn1nc([C@@H]2CCCN(C(=O)C[C@@H]3CSc4nc(C)c(C)c(=O)n43)C2)n(C2CC2)c1=O COC[*:1] Cc1nc2SC[C@@H](CC(=O)N3CCC[C@H](C3)c3nn(C[*:1])c(=O)n3C3CC3)n2c(=O)c1C
COCCn1nc([C@@H]2CCCN(C(=O)C[C@@H]3CSc4nc(C)c(C)c(=O)n43)C2)n(C2CC2)c1=O COCC[*:1] Cc1nc2SC[C@@H](CC(=O)N3CCC[C@H](C3)c3nn(c(=O)n3C3CC3)[*:1])n2c(=O)c1C
COCCn1nc([C@@H]2CCCN(C(=O)C[C@@H]3CSc4nc(C)c(C)c(=O)n43)C2)n(C2CC2)c1=O C1CC1[*:1] COCCn1nc([C@@H]2CCCN(C2)C(=O)C[C@@H]2CSc3nc(C)c(C)c(=O)n32)n(c1=O)[*:1]
O=C(COC(=O)CNC(=O)c1cccc(Br)c1)Nc1ncc(Cl)cc1Cl Brc1cccc(c1)[*:1] O=C(COC(=O)CNC(=O)[*:1])Nc1ncc(Cl)cc1Cl
O=C(COC(=O)CNC(=O)c1cccc(Br)c1)Nc1ncc(Cl)cc1Cl Clc1cnc(c(Cl)c1)[*:1] O=C(COC(=O)CNC(=O)c1cccc(Br)c1)N[*:1]
Cc1csc(CNC(=O)c2cccnc2OCC(F)(F)F)n1 FC(F)(F)[*:1] Cc1csc(CNC(=O)c2cccnc2OC[*:1])n1
Cc1csc(CNC(=O)c2cccnc2OCC(F)(F)F)n1 FC(F)(F)C[*:1] Cc1csc(CNC(=O)c2cccnc2O[*:1])n1
Cc1csc(CNC(=O)c2cccnc2OCC(F)(F)F)n1 Cc1csc(n1)[*:1] O=C(NC[*:1])c1cccnc1OCC(F)(F)F
Cc1csc(CNC(=O)c2cccnc2OCC(F)(F)F)n1 FC(F)(F)CO[*:1] Cc1csc(CNC(=O)c2cccnc2[*:1])n1
Cc1csc(CNC(=O)c2cccnc2OCC(F)(F)F)n1 Cc1csc(C[*:1])n1 O=C(N[*:1])c1cccnc1OCC(F)(F)F
O=c1cc(N2CC[NH2+]CC2)cnn1CCCn1cccn1 c1cnn(c1)CC[*:1] O=c1cc(cnn1C[*:1])N1CC[NH2+]CC1
O=c1cc(N2CC[NH2+]CC2)cnn1CCCn1cccn1 c1cnn(c1)C[*:1] O=c1cc(cnn1CC[*:1])N1CC[NH2+]CC1
O=c1cc(N2CC[NH2+]CC2)cnn1CCCn1cccn1 c1cnn(c1)[*:1] O=c1cc(cnn1CCC[*:1])N1CC[NH2+]CC1
COCCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 COC[*:1] CN(CC[*:1])C(=O)NCC1(CCOCC1)c1cccc(Cl)c1
COCCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 COCCC[*:1] CN(C(=O)NCC1(CCOCC1)c1cccc(Cl)c1)[*:1]
COCCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 COCC[*:1] CN(C[*:1])C(=O)NCC1(CCOCC1)c1cccc(Cl)c1
COCCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 Clc1cccc(c1)[*:1] COCCCN(C)C(=O)NCC1(CCOCC1)[*:1]
CCOc1ccccc1[C@H]1C(C#N)=C(SC)NC2=C1C(=O)CCC2 CCO[*:1] CSC1NC2CCCC(=O)C=2[C@H](C=1C#N)c1ccccc1[*:1]
O=C(C1CCN(CC[NH+]2CCCC2)CC1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)CC[NH+]1CCCC1)N(C[*:1])C1CC1
O=C(C1CCN(CC[NH+]2CCCC2)CC1)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(C1CCN(CC1)CC[NH+]1CCCC1)N(Cc1ccccc1)[*:1]
O=C(C1CCN(CC[NH+]2CCCC2)CC1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C(C1CCN(CC1)CC[NH+]1CCCC1)N(C1CC1)[*:1]
COc1ccc2nc(NC(=S)NC(=O)c3ccc(Cl)cc3)sc2c1 Clc1ccc(cc1)[*:1] COc1ccc2nc(NC(=S)NC(=O)[*:1])sc2c1
O=C(NCc1ccccc1OCC1CC1)[C@@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] O=C(NCc1ccccc1OCC1CC1)[C@@H]1CCCN1C(=O)[*:1]
O=C(NCc1ccccc1OCC1CC1)[C@@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] O=C(NCc1ccccc1OC[*:1])[C@@H]1CCCN1C(=O)C1CC1
O=C(NCc1ccccc1OCC1CC1)[C@@H]1CCCN1C(=O)C1CC1 C1CC1C[*:1] O=C(NCc1ccccc1O[*:1])[C@@H]1CCCN1C(=O)C1CC1
O=C(NCc1ccccc1OCC1CC1)[C@@H]1CCCN1C(=O)C1CC1 C1CC1CO[*:1] O=C(NCc1ccccc1[*:1])[C@@H]1CCCN1C(=O)C1CC1
C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](Oc1ccc(cc1C=O)[N+](=O)[O-])C(=O)N[*:1]
C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)Nc1ccc(Cl)cc1 O=[N+]([O-])[*:1] C[C@@H](Oc1ccc(cc1C=O)[*:1])C(=O)Nc1ccc(Cl)cc1
COC(=O)c1ccc(C)c(NC(=O)N2CCC[C@H]2c2cccc(OC)c2)c1 COc1cccc(c1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)N1CCC[C@@H]1[*:1]
COC(=O)c1ccc(C)c(NC(=O)N2CCC[C@H]2c2cccc(OC)c2)c1 COC(=O)[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1cc(ccc1C)[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CC#N)c1 N#CC[*:1] Cc1cc(C)cc(c1)N(C[*:1])C(=O)[C@@H](C)N(C)CC#N
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CC#N)c1 CN(CC#N)[*:1] Cc1cc(C)cc(c1)N(CCC#N)C(=O)[C@@H](C)[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CC#N)c1 N#CC[*:1] Cc1cc(C)cc(c1)N(CCC#N)C(=O)[C@@H](C)N(C)[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CC#N)c1 N#CCC[*:1] Cc1cc(C)cc(c1)N(C(=O)[C@@H](C)N(C)CC#N)[*:1]
FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]Cc1cncn1C1CC1 C1CC1[*:1] FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]Cc1cncn1[*:1]
FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]Cc1cncn1C1CC1 FC(F)(F)[*:1] c1ncn(c1C[NH2+][C@@H]1CCCC[C@@H]1[*:1])C1CC1
CSCc1cccc(NC(=O)NC[C@H](C)C[C@H](C)O)c1C CSC[*:1] Cc1c(cccc1[*:1])NC(=O)NC[C@H](C)C[C@H](C)O
CSCc1cccc(NC(=O)NC[C@H](C)C[C@H](C)O)c1C C[C@H](O)[*:1] CSCc1cccc(NC(=O)NC[C@H](C)C[*:1])c1C
CSCc1cccc(NC(=O)NC[C@H](C)C[C@H](C)O)c1C C[C@H](O)C[*:1] CSCc1cccc(NC(=O)NC[C@H](C)[*:1])c1C
CCOc1ccc(OC)cc1NC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] CCOc1ccc(cc1NC(=O)C[*:1])OC
CCOc1ccc(OC)cc1NC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] CCOc1ccc(cc1NC(=O)[*:1])OC
CCOc1ccc(OC)cc1NC(=O)Cc1ccc[nH]1 CCO[*:1] COc1ccc(c(c1)NC(=O)Cc1ccc[nH]1)[*:1]
CC[C@H](C)S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N CC(C)(C)[*:1] CC[C@H](C)S[C@@H]1C[C@H](CC[C@@H]1C#N)[*:1]
CC[C@H](C)S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N CC[C@H](C)[*:1] CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](C1)S[*:1]
CC[C@H](C)S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N CC[C@H](C)S[*:1] CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](C1)[*:1]
O=C(CSc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccco1 c1coc(c1)[*:1] O=C(CSc1n[nH]c(=O)[nH]c1=O)NN=C[*:1]
[NH3+]C[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 c1csc(c1)[*:1] [NH3+]C[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CCN1C[C@H](C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)CC1=O c1csc(n1)[*:1] CCN1C[C@@H](CC1=O)C(=O)N[C@H](CC(C)C)C(=O)N[*:1]
CCN1C[C@H](C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)CC1=O CCN1C[C@H](CC1=O)[*:1] CC(C)C[C@@H](NC(=O)[*:1])C(=O)Nc1nccs1
CCN1C[C@H](C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)CC1=O O=C(Nc1nccs1)[*:1] CCN1C[C@@H](CC1=O)C(=O)N[C@H](CC(C)C)[*:1]
CCN1C[C@H](C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)CC1=O CC(C)C[*:1] CCN1C[C@@H](CC1=O)C(=O)N[C@H](C(=O)Nc1nccs1)[*:1]
CCN1C[C@H](C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)CC1=O CC(C)[*:1] CCN1C[C@@H](CC1=O)C(=O)N[C@H](C[*:1])C(=O)Nc1nccs1
COCCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc2cc(Cl)ccc2c1=O COC[*:1] O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C[*:1])Nc1cccc(Cl)c1Cl
COCCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc2cc(Cl)ccc2c1=O COCC[*:1] O=C(CSc1nc2cc(Cl)ccc2c(=O)n1[*:1])Nc1cccc(Cl)c1Cl
COCCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc2cc(Cl)ccc2c1=O Clc1cccc(c1Cl)[*:1] COCCn1c(nc2cc(Cl)ccc2c1=O)SCC(=O)N[*:1]
CC[C@@H](NC[C@@H]1C=NN=C1c1ccc(F)cc1)[C@H]1[NH+]=C(C)NO1 Fc1ccc(cc1)[*:1] CC[C@@H](NC[C@@H]1C=NN=C1[*:1])[C@H]1[NH+]=C(C)NO1
[NH3+]CCc1ccn(Cc2nccs2)c1 [NH3+]CC[*:1] c1csc(Cn2ccc(c2)[*:1])n1
C#CCNC(=O)c1ccccc1NC(=O)c1ccc(CC)o1 C#CCNC(=O)[*:1] CCc1ccc(o1)C(=O)Nc1ccccc1[*:1]
C#CCNC(=O)c1ccccc1NC(=O)c1ccc(CC)o1 CCc1ccc(o1)[*:1] C#CCNC(=O)c1ccccc1NC(=O)[*:1]
C#CCNC(=O)c1ccccc1NC(=O)c1ccc(CC)o1 C#CC[*:1] CCc1ccc(o1)C(=O)Nc1ccccc1C(=O)N[*:1]
CCn1c(=O)c(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(N)n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] CCn1c(=O)c(C(=O)CN2CCN(CC2)C(=O)c2ccco2)c(N)n(C[*:1])c1=O
CCn1c(=O)c(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(N)n(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] CCn1c(=O)c(C(=O)CN2CCN(CC2)C(=O)c2ccco2)c(N)n(c1=O)[*:1]
CCn1c(=O)c(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(N)n(Cc2ccccc2)c1=O c1coc(c1)[*:1] CCn1c(=O)c(C(=O)CN2CCN(CC2)C(=O)[*:1])c(N)n(Cc2ccccc2)c1=O
COc1ccc(CCC(=O)N(C)C[C@H](C)C(=O)[O-])cc1F O=C([O-])[*:1] COc1ccc(cc1F)CCC(=O)N(C)C[C@H](C)[*:1]
CCn1cnnc1CNC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 CCn1cnnc1C[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(c1)N1CCCC1
CCn1cnnc1CNC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 CCn1cnnc1[*:1] C[C@@H](NC(=O)NC[*:1])c1cccc(c1)N1CCCC1
CCn1cnnc1CNC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] CCn1cnnc1CNC(=O)N[C@H](C)c1cccc(c1)[*:1]
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1F Fc1ccccc1[*:1] CN(Cc1cnn(c1)Cc1ccccc1)C(=O)[*:1]
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1F c1ccc(cc1)C[*:1] CN(Cc1cnn(c1)[*:1])C(=O)c1ccccc1F
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1F c1ccc(cc1)[*:1] CN(Cc1cnn(c1)C[*:1])C(=O)c1ccccc1F
O=C(Cn1ccc(=O)[nH]c1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 c1ccc(cc1)C[*:1] O=C(Cn1ccc(=O)[nH]c1=O)NCc1cn(nc1-c1ccccc1)[*:1]
O=C(Cn1ccc(=O)[nH]c1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1ccc(=O)[nH]c1=O)NCc1cn(Cc2ccccc2)nc1[*:1]
O=C(Cn1ccc(=O)[nH]c1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 O=c1ccn(c(=O)[nH]1)[*:1] O=C(C[*:1])NCc1cn(Cc2ccccc2)nc1-c1ccccc1
O=C(Cn1ccc(=O)[nH]c1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 O=c1ccn(C[*:1])c(=O)[nH]1 O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)[*:1]
O=C(Cn1ccc(=O)[nH]c1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1ccc(=O)[nH]c1=O)NCc1cn(C[*:1])nc1-c1ccccc1
COc1cccc(C[C@H](C)NC(=O)Nc2cc(-c3nnco3)ccc2C)c1 COc1cccc(c1)C[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)[*:1])-c1nnco1
COc1cccc(C[C@H](C)NC(=O)Nc2cc(-c3nnco3)ccc2C)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)C[*:1])-c1nnco1
COc1cccc(C[C@H](C)NC(=O)Nc2cc(-c3nnco3)ccc2C)c1 c1nnc(o1)[*:1] COc1cccc(c1)C[C@H](C)NC(=O)Nc1cc(ccc1C)[*:1]
Cc1cccc(C2(CNCc3cnc(N4CCOCC4)nc3)CCCCC2)c1 Cc1cccc(c1)[*:1] c1nc(ncc1CNCC1(CCCCC1)[*:1])N1CCOCC1
Cc1cccc(C2(CNCc3cnc(N4CCOCC4)nc3)CCCCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)C1(CCCCC1)CNCc1cnc(nc1)[*:1]
COc1ccc(C)cc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(C)cc1 COc1ccc(C)cc1[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCCC1)[*:1]
COc1ccc(C)cc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(C)cc1 O=C(N1CCCC1)[*:1] COc1ccc(C)cc1N(C[*:1])S(=O)(=O)c1ccc(C)cc1
COc1ccc(C)cc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(C)cc1N(CC(=O)N1CCCC1)S(=O)(=O)[*:1]
COc1ccc(C)cc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(C)cc1 O=C(C[*:1])N1CCCC1 COc1ccc(C)cc1N(S(=O)(=O)c1ccc(C)cc1)[*:1]
Cc1cc([N+](=O)[O-])nn1CC(=O)NC1CCCCC1 O=[N+]([O-])[*:1] Cc1cc(nn1CC(=O)NC1CCCCC1)[*:1]
Cc1cc([N+](=O)[O-])nn1CC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(nn1CC(=O)N[*:1])[N+](=O)[O-]
Cn1c(=N)n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21 CC(C)(C)[*:1] Cn1c(=N)n(CC(=O)c2cc(c(O)c(c2)[*:1])C(C)(C)C)c2ccccc21
O=C(NC[C@@H]1C[C@H]1c1ccccc1)Nc1ccn(Cc2ccncc2)n1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1C[C@@H]1[*:1])Nc1ccn(Cc2ccncc2)n1
O=C(NC[C@@H]1C[C@H]1c1ccccc1)Nc1ccn(Cc2ccncc2)n1 c1cc(ccn1)[*:1] O=C(NC[C@@H]1C[C@H]1c1ccccc1)Nc1ccn(C[*:1])n1
O=C(NC[C@@H]1C[C@H]1c1ccccc1)Nc1ccn(Cc2ccncc2)n1 c1cc(ccn1)C[*:1] O=C(NC[C@@H]1C[C@H]1c1ccccc1)Nc1ccn(n1)[*:1]
C[C@@H](c1nnc(SCC(=O)N2CCCC2=O)n1-c1ccc(F)cc1)[NH+]1CCCCC1 O=C1CCCN1C(=O)CS[*:1] C[C@@H](c1nnc(n1-c1ccc(F)cc1)[*:1])[NH+]1CCCCC1
C[C@@H](c1nnc(SCC(=O)N2CCCC2=O)n1-c1ccc(F)cc1)[NH+]1CCCCC1 O=C1CCCN1C(=O)[*:1] C[C@@H](c1nnc(SC[*:1])n1-c1ccc(F)cc1)[NH+]1CCCCC1
C[C@@H](c1nnc(SCC(=O)N2CCCC2=O)n1-c1ccc(F)cc1)[NH+]1CCCCC1 Fc1ccc(cc1)[*:1] C[C@@H](c1nnc(SCC(=O)N2CCCC2=O)n1[*:1])[NH+]1CCCCC1
C[C@@H](c1nnc(SCC(=O)N2CCCC2=O)n1-c1ccc(F)cc1)[NH+]1CCCCC1 O=C1CCCN1C(=O)C[*:1] C[C@@H](c1nnc(S[*:1])n1-c1ccc(F)cc1)[NH+]1CCCCC1
Cc1n[nH]c(-c2cccc([N-]S(=O)(=O)C[C@H](C)CCl)c2)n1 Cc1n[nH]c(n1)[*:1] C[C@H](CCl)CS(=O)(=O)[N-]c1cccc(c1)[*:1]
Cc1cc(CN2CCN(S(=O)(=O)c3cccc(-n4cnnn4)c3)CC2)no1 Cc1cc(no1)[*:1] O=S(=O)(c1cccc(c1)-n1cnnn1)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(S(=O)(=O)c3cccc(-n4cnnn4)c3)CC2)no1 c1nnnn1[*:1] Cc1cc(CN2CCN(CC2)S(=O)(=O)c2cccc(c2)[*:1])no1
Cc1cc(CN2CCN(S(=O)(=O)c3cccc(-n4cnnn4)c3)CC2)no1 Cc1cc(C[*:1])no1 O=S(=O)(c1cccc(c1)-n1cnnn1)N1CCN(CC1)[*:1]
C=CCOCCCC(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] C=CCOCCCC(=O)N1[C@@H](C)CO[C@@H]([C@@H]1C)[*:1]
C=CCOCCCC(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C C=CC[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)CCCO[*:1]
C=CCOCCCC(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C C=CCOC[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)CC[*:1]
C=CCOCCCC(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C C=CCOCC[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)C[*:1]
C=CCOCCCC(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C C=CCO[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)CCC[*:1]
C=CCOCCCC(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C C=CCOCCC[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)[*:1]
COS(=O)(=O)c1ccc(Cl)c2ccccc12 COS(=O)(=O)[*:1] Clc1ccc(c2ccccc12)[*:1]
CC(C)OCc1cccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 CC(C)OC[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1C[C@H]2CCCC[C@@H]2C1
CC(C)OCc1cccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)CO[*:1])C(=O)N1C[C@H]2CCCC[C@@H]2C1
CC(C)OCc1cccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 CC(C)O[*:1] O=C(Nc1cccc(c1)C[*:1])C(=O)N1C[C@H]2CCCC[C@@H]2C1
Cc1nnsc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 Cc1nnsc1[*:1] O=C(N1CCC[C@@H](C1)c1nnc(s1)-c1ccccc1F)[*:1]
Cc1nnsc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 Fc1ccccc1[*:1] Cc1nnsc1C(=O)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
Cc1csc([C@H](C)NC(=O)CCCc2cc(Cl)sc2Cl)n1 Clc1cc(c(Cl)s1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)CCC[*:1]
Cc1csc([C@H](C)NC(=O)CCCc2cc(Cl)sc2Cl)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)CCCc1cc(Cl)sc1Cl)[*:1]
O=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)NCCc1ccc[nH]1 c1c[nH]c(c1)CC[*:1] O=C(CS[C@@H]1CC(=O)N(C1=O)c1ccccc1)N[*:1]
O=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)NCCc1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(CS[C@@H]1CC(=O)N(C1=O)c1ccccc1)NCC[*:1]
O=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)NCCc1ccc[nH]1 c1ccc(cc1)[*:1] O=C(CS[C@@H]1CC(=O)N(C1=O)[*:1])NCCc1ccc[nH]1
O=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)NCCc1ccc[nH]1 c1c[nH]c(c1)C[*:1] O=C(CS[C@@H]1CC(=O)N(C1=O)c1ccccc1)NC[*:1]
CCOc1ccccc1CN(CC)Cc1cc(=O)n2c3c(cccc13)CCC2 CCO[*:1] CCN(Cc1ccccc1[*:1])Cc1cc(=O)n2CCCc3cccc1c32
CCOc1ccccc1CN(CC)Cc1cc(=O)n2c3c(cccc13)CCC2 CCOc1ccccc1[*:1] CCN(Cc1cc(=O)n2CCCc3cccc1c32)C[*:1]
COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc(Br)c1O Clc1ccccc1[*:1] COc1cc(cc(Br)c1O)[C@H]1CC(=O)NC2C[C@H](CC(=O)C=21)[*:1]
CCOc1ccc(OCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)OCC(=O)N1CCC[C@H](C1)[*:1]
CCOc1ccc(OCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 CCO[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)COc1ccc(cc1)[*:1]
O=C(NCCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCCC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(F)c1)N[*:1]
O=C(NCCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(F)c1)NC[*:1]
O=C(NCCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NCc1ccccc1 Fc1cccc(c1)[*:1] O=C(NCCC(=O)N1CCN(CC1)S(=O)(=O)[*:1])NCc1ccccc1
[NH3+][C@@H]1CC[C@@H](OCc2cccc([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] [NH3+][C@@H]1CC[C@H](C1)OCc1cccc(c1)[*:1]
C[C@@H](O)c1ccccc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C C[C@@H](O)[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1[*:1]
CC(C)[C@H](O)C(C)(C)C[NH2+]C1CCN(Cc2cccnc2)CC1 CC(C)[*:1] CC(C)(C[NH2+]C1CCN(CC1)Cc1cccnc1)[C@@H](O)[*:1]
CC(C)[C@H](O)C(C)(C)C[NH2+]C1CCN(Cc2cccnc2)CC1 c1cncc(c1)C[*:1] CC(C)[C@H](O)C(C)(C)C[NH2+]C1CCN(CC1)[*:1]
CC(C)[C@H](O)C(C)(C)C[NH2+]C1CCN(Cc2cccnc2)CC1 c1cncc(c1)[*:1] CC(C)[C@H](O)C(C)(C)C[NH2+]C1CCN(CC1)C[*:1]
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[n+]1ccccc1 O=[N+]([O-])[*:1] C[C@H](C(=O)Nc1cccc(c1)[*:1])[n+]1ccccc1
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[n+]1ccccc1 c1cc[n+](cc1)[*:1] C[C@H](C(=O)Nc1cccc(c1)[N+](=O)[O-])[*:1]
CCN1CC(=O)N(C[C@@H]([NH3+])C(=O)[O-])CC1=O O=C([O-])[*:1] CCN1CC(=O)N(CC1=O)C[C@@H]([NH3+])[*:1]
CCCC(=O)n1c(S)nc2sc3c(c2c1=O)CCCC3 CCC[*:1] O=C(n1c(S)nc2sc3CCCCc3c2c1=O)[*:1]
COC(=O)[C@@H]1C[C@H](O)CN1Cc1sc(C)nc1C COC(=O)[*:1] Cc1nc(C)c(CN2C[C@@H](O)C[C@H]2[*:1])s1
CC(C)(C)c1cc(NC(=O)c2ccccc2)n(-c2ccc(F)cc2)n1 c1ccc(cc1)[*:1] CC(C)(C)c1cc(NC(=O)[*:1])n(n1)-c1ccc(F)cc1
CC(C)(C)c1cc(NC(=O)c2ccccc2)n(-c2ccc(F)cc2)n1 CC(C)(C)[*:1] O=C(Nc1cc(nn1-c1ccc(F)cc1)[*:1])c1ccccc1
CC(C)(C)c1cc(NC(=O)c2ccccc2)n(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)(C)c1cc(NC(=O)c2ccccc2)n(n1)[*:1]
CCN(CC)C(=O)c1ccc(=O)n(Cc2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccc(=O)n(C[*:1])n1
CCN(CC)C(=O)c1ccc(=O)n(Cc2ccc(C)cc2)n1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)Cn1nc(ccc1=O)[*:1]
Cc1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc(Br)cc2)cc1C Brc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)/N=C(/NCc1cccnc1)N[*:1]
Cc1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc(Br)cc2)cc1C Cc1ccc(cc1C)[*:1] O=C(/N=C(/NCc1cccnc1)Nc1ccc(Br)cc1)[*:1]
Cc1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc(Br)cc2)cc1C c1cncc(c1)[*:1] Cc1ccc(cc1C)C(=O)/N=C(/NC[*:1])Nc1ccc(Br)cc1
Cc1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc(Br)cc2)cc1C c1cncc(c1)C[*:1] Cc1ccc(cc1C)C(=O)/N=C(\Nc1ccc(Br)cc1)N[*:1]
Cc1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 Cc1ccccc1[*:1] O=c1ccc2cc(ccc2o1)S(=O)(=O)N[*:1]
COc1ccc(CCNC(=O)N2CCC[C@@H](c3nncn3C)C2)cc1 COc1ccc(cc1)[*:1] Cn1cnnc1[C@@H]1CCCN(C1)C(=O)NCC[*:1]
COc1ccc(CCNC(=O)N2CCC[C@@H](c3nncn3C)C2)cc1 Cn1cnnc1[*:1] COc1ccc(cc1)CCNC(=O)N1CCC[C@@H](C1)[*:1]
O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(-c2csnn2)cc1 c1snnc1[*:1] O=C(CCc1ccc2OCOc2c1)Nc1ccc(cc1)[*:1]
CSCc1csc(NC(=O)C2CCCCC2)n1 CSC[*:1] O=C(Nc1nc(cs1)[*:1])C1CCCCC1
CCOC(=O)c1c(NC=[N+](C)C)c2cc(OC)ccc2n1C CCOC(=O)[*:1] COc1ccc2c(c1)c(NC=[N+](C)C)c(n2C)[*:1]
Fc1ccccc1[C@@H]1N[C@H](c2nccs2)Cc2ccsc21 c1csc(n1)[*:1] Fc1ccccc1[C@@H]1N[C@H](Cc2ccsc21)[*:1]
Fc1ccccc1[C@@H]1N[C@H](c2nccs2)Cc2ccsc21 Fc1ccccc1[*:1] c1csc(n1)[C@@H]1Cc2ccsc2[C@@H](N1)[*:1]
Cc1ccc(OCC(=O)Nc2ccc(-n3ccnc3C)nc2)cc1 Cc1ccc(cc1)[*:1] Cc1nccn1-c1ccc(cn1)NC(=O)CO[*:1]
Cc1ccc(OCC(=O)Nc2ccc(-n3ccnc3C)nc2)cc1 Cc1nccn1[*:1] Cc1ccc(cc1)OCC(=O)Nc1ccc(nc1)[*:1]
Cc1ccc(OCC(=O)Nc2ccc(-n3ccnc3C)nc2)cc1 Cc1ccc(cc1)O[*:1] Cc1nccn1-c1ccc(cn1)NC(=O)C[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccsc2)n1 Cc1cc(C)n(n1)[*:1] O=C(C[*:1])NNC(=O)NCc1ccsc1
Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccsc2)n1 c1cc(cs1)[*:1] Cc1cc(C)n(CC(=O)NNC(=O)NC[*:1])n1
Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccsc2)n1 c1cc(cs1)C[*:1] Cc1cc(C)n(CC(=O)NNC(=O)N[*:1])n1
C[NH+](CCOc1ccccc1F)Cc1nc2ccccc2o1 Fc1ccccc1[*:1] C[NH+](CCO[*:1])Cc1nc2ccccc2o1
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2C[C@H](C)c3ccccc32)C1 CC[S@](=O)[*:1] C[C@H]1CN(C(=O)N[C@H]2CCC[C@H](C2)[*:1])c2ccccc21
C[C@@H](CNC(=O)NCc1csc(N(C)C)n1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NCc1csc(n1)N(C)C)N(C)[*:1]
C[C@@H](CNC(=O)NCc1csc(N(C)C)n1)N(C)c1ccccc1 CN(C)[*:1] C[C@@H](CNC(=O)NCc1csc(n1)[*:1])N(C)c1ccccc1
C[C@@H](CNC(=O)NCc1csc(N(C)C)n1)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@H](CNC(=O)NCc1csc(n1)N(C)C)[*:1]
C[C@@H](CNC(=O)NCc1csc(N(C)C)n1)N(C)c1ccccc1 CN(C)c1nc(cs1)[*:1] C[C@@H](CNC(=O)NC[*:1])N(C)c1ccccc1
CCOc1cccc(-c2c[nH+]cc([O-])c2)c1 CCO[*:1] [O-]c1c[nH+]cc(c1)-c1cccc(c1)[*:1]
CC(=O)N1CCC([NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC1 C1CC1[*:1] CC(=O)N1CCC(CC1)[NH2+][C@@H](c1ccc(C)cc1)[*:1]
CC(=O)N1CCC([NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC1 Cc1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)[NH2+][C@@H](C1CC1)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1C Fc1ccc(c(F)c1F)[*:1] COC(=O)c1c(C)[nH]c(C(=O)NCC(=O)N[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(C)c1[*:1]
O=C(CC(F)(F)F)NCc1ccnc(Oc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] O=C(CC(F)(F)F)NCc1ccnc(c1)O[*:1]
O=C(CC(F)(F)F)NCc1ccnc(Oc2ccc(F)cc2)c1 FC(F)(F)C[*:1] O=C(NCc1ccnc(c1)Oc1ccc(F)cc1)[*:1]
O=C(CC(F)(F)F)NCc1ccnc(Oc2ccc(F)cc2)c1 FC(F)(F)[*:1] O=C(C[*:1])NCc1ccnc(c1)Oc1ccc(F)cc1
COC(=O)c1sc(N(Cc2cccnc2)C[C@@H]2CCCO2)nc1Cl c1cncc(c1)C[*:1] COC(=O)c1sc(nc1Cl)N(C[C@@H]1CCCO1)[*:1]
COC(=O)c1sc(N(Cc2cccnc2)C[C@@H]2CCCO2)nc1Cl COC(=O)[*:1] Clc1nc(sc1[*:1])N(Cc1cccnc1)C[C@@H]1CCCO1
COC(=O)c1sc(N(Cc2cccnc2)C[C@@H]2CCCO2)nc1Cl C1CO[C@@H](C1)C[*:1] COC(=O)c1sc(nc1Cl)N(Cc1cccnc1)[*:1]
COC(=O)c1sc(N(Cc2cccnc2)C[C@@H]2CCCO2)nc1Cl c1cncc(c1)[*:1] COC(=O)c1sc(nc1Cl)N(C[C@@H]1CCCO1)C[*:1]
CCn1/c(=N/C(=O)CN(C)C(C)=O)[nH]c2ccc(Br)cc21 CC(=O)N(C)[*:1] CCn1/c(=N/C(=O)C[*:1])[nH]c2ccc(Br)cc21
CCn1/c(=N/C(=O)CN(C)C(C)=O)[nH]c2ccc(Br)cc21 CC(=O)N(C)C[*:1] CCn1/c(=N/C(=O)[*:1])[nH]c2ccc(Br)cc21
CC(=O)N1CC[C@@H]([NH2+]CCO)C1 OCC[*:1] CC(=O)N1CC[C@H](C1)[NH2+][*:1]
Cn1c(N2CCC[C@@H](C(=O)NC3CCCC3)C2)[nH+]c2ccccc21 C1CCC(C1)[*:1] Cn1c([nH+]c2ccccc21)N1CCC[C@H](C1)C(=O)N[*:1]
Cn1c(N2CCC[C@@H](C(=O)NC3CCCC3)C2)[nH+]c2ccccc21 O=C(NC1CCCC1)[*:1] Cn1c([nH+]c2ccccc21)N1CCC[C@@H](C1)[*:1]
COc1ccccc1N1CCN(C(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)CC1 COc1ccccc1[*:1] O=C(Cn1cnc2c(sc3cccc(F)c32)c1=O)N1CCN(CC1)[*:1]
COC(=O)CCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F COC(=O)CC[*:1] O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N[*:1]
COC(=O)CCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F COC(=O)C[*:1] O=C(NC[*:1])C(=O)Nc1ccc(Cl)cc1C(F)(F)F
COC(=O)CCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] COC(=O)CCNC(=O)C(=O)Nc1ccc(Cl)cc1[*:1]
COC(=O)CCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F COC(=O)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(Cl)cc1C(F)(F)F
CC[C@@H]([NH2+]CCn1c(=O)[nH]c2ccccc21)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H]([NH2+]CCn1c(=O)[nH]c2ccccc21)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)NCc2cccc3cccnc23)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)NCc2cccc3cccnc23)c(C)c1[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 C1CC1[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)N1CCOCC1)[*:1]
C[NH2+]C[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[NH2+]C[C@H](C)C(=O)Nc1ccc(cc1[*:1])OC
CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5SCC)CC4)ncnc32)cc1 CCOc1ccc(cc1)[*:1] CCSc1ccccc1C(=O)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5SCC)CC4)ncnc32)cc1 CCSc1ccccc1[*:1] CCOc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)[*:1]
CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5SCC)CC4)ncnc32)cc1 CCO[*:1] CCSc1ccccc1C(=O)N1CCN(CC1)c1ncnc2c1nnn2-c1ccc(cc1)[*:1]
CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5SCC)CC4)ncnc32)cc1 CCS[*:1] CCOc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)c1ccccc1[*:1]
Cc1ccc(C(=O)Oc2ccc(C[NH+]3CCCC3)c3cccnc23)cc1 Cc1ccc(cc1)[*:1] O=C(Oc1ccc(C[NH+]2CCCC2)c2cccnc12)[*:1]
C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCC(=O)N1 O=C1CC[C@@H](N1)[*:1] C[C@H](COc1ccc(cc1)C(C)(C)C)NC(=O)[*:1]
C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCC(=O)N1 CC(C)(C)[*:1] C[C@H](COc1ccc(cc1)[*:1])NC(=O)[C@H]1CCC(=O)N1
CC[C@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O Clc1ccc(s1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1cccc(Cl)c1
CC[C@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O Clc1cccc(c1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O)[*:1]
CC[C@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O O=C(c1ccc(Cl)s1)[*:1] CC[C@@]1(NC(=O)N(C[*:1])C1=O)c1cccc(Cl)c1
C[C@@]1(c2ccccc2)NC(=O)N(Cc2csc(-c3ccsc3)n2)C1=O c1cc(cs1)[*:1] C[C@]1(NC(=O)N(Cc2csc(n2)[*:1])C1=O)c1ccccc1
C[C@@]1(c2ccccc2)NC(=O)N(Cc2csc(-c3ccsc3)n2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(Cc2csc(n2)-c2ccsc2)C1=O)[*:1]
NC(=O)COC(=O)c1cccc(OCC(F)F)n1 FC(F)[*:1] NC(=O)COC(=O)c1cccc(n1)OC[*:1]
NC(=O)COC(=O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] NC(=O)COC(=O)c1cccc(n1)O[*:1]
NC(=O)COC(=O)c1cccc(OCC(F)F)n1 NC(=O)[*:1] O=C(OC[*:1])c1cccc(n1)OCC(F)F
NC(=O)COC(=O)c1cccc(OCC(F)F)n1 NC(=O)C[*:1] O=C(O[*:1])c1cccc(n1)OCC(F)F
NC(=O)COC(=O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] NC(=O)COC(=O)c1cccc(n1)[*:1]
CNC(=O)[C@H]1CCCCN1C(=O)[C@H]1CC[NH2+][C@H]1C CNC(=O)[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCC[C@@H]1[*:1]
CCc1ncc(CN[C@H](Cc2ccccc2)C2CC2)s1 c1ccc(cc1)[*:1] CCc1ncc(CN[C@H](C[*:1])C2CC2)s1
CCc1ncc(CN[C@H](Cc2ccccc2)C2CC2)s1 C1CC1[*:1] CCc1ncc(CN[C@H](Cc2ccccc2)[*:1])s1
CCN1C[C@H](C(=O)NNC(=O)Cc2ccccc2F)CC1=O Fc1ccccc1[*:1] CCN1C[C@@H](CC1=O)C(=O)NNC(=O)C[*:1]
CCOc1ccccc1[C@@H]([NH3+])[C@H]1CSCCS1 CCO[*:1] [NH3+][C@H](c1ccccc1[*:1])[C@H]1CSCCS1
C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)CCC[NH2+]C1CC1 C1CC1[*:1] C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)CCC[NH2+][*:1]
C/C=C(/C)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 CC=C(C)[*:1] CC(C)(C)OC(=O)N1CCc2ncc(cc2C1)NC(=O)[*:1]
C/C=C(/C)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 CC(C)(C)[*:1] C/C=C(/C)C(=O)Nc1cnc2CCN(Cc2c1)C(=O)O[*:1]
C/C=C(/C)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 C/C=C(/C)C(=O)N[*:1] CC(C)(C)OC(=O)N1CCc2ncc(cc2C1)[*:1]
CC(=O)Nc1cccc(Nc2nc3ccc(C)cc3s2)c1 CC(=O)N[*:1] Cc1ccc2nc(Nc3cccc(c3)[*:1])sc2c1
Cc1sc2ncnc(SCC(=O)N(C)C3(C#N)CCC3)c2c1C N#CC1(CCC1)[*:1] Cc1sc2ncnc(SCC(=O)N(C)[*:1])c2c1C
CCC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 CCC1(CCC1)[*:1] O=C(Cc1ccc(cc1Cl)[N+](=O)[O-])NC[*:1]
CCC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 O=[N+]([O-])[*:1] CCC1(CCC1)CNC(=O)Cc1ccc(cc1Cl)[*:1]
CCC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 CCC1(CCC1)C[*:1] O=C(Cc1ccc(cc1Cl)[N+](=O)[O-])N[*:1]
CCO[C@@H]1C[C@@H]([O-])C12CCN(C(=O)[C@H]1COc3ccc(F)cc3C1)CC2 CCO[*:1] O=C([C@H]1COc2ccc(F)cc2C1)N1CCC2(CC1)[C@H]([O-])C[C@H]2[*:1]
CC(C)CO[C@@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 CC(C)CO[*:1] C[C@@H](C(=O)N1CCN(CC1)C[C@H](O)c1ccccc1)[*:1]
CC(C)CO[C@@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 CC(C)CO[C@@H](C)[*:1] O=C(N1CCN(CC1)C[C@H](O)c1ccccc1)[*:1]
CC(C)CO[C@@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 CC(C)C[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)C[C@H](O)c1ccccc1
CC(C)CO[C@@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 O[C@H](c1ccccc1)[*:1] CC(C)CO[C@@H](C)C(=O)N1CCN(CC1)C[*:1]
CC(C)CO[C@@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 CC(C)[*:1] C[C@H](OC[*:1])C(=O)N1CCN(CC1)C[C@H](O)c1ccccc1
CC(C)CO[C@@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)CO[C@@H](C)C(=O)N1CCN(CC1)C[C@H](O)[*:1]
CC(C)(C)c1nnc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)s1 CC(C)(C)c1nnc(s1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
CC(C)(C)c1nnc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)s1 CC(C)(C)[*:1] O=C(Nc1nnc(s1)[*:1])C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
CC(C)(C)c1nnc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)s1 c1ccc(cc1)[*:1] CC(C)(C)c1nnc(NC(=O)C2CCN(CC2)C(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
Cc1c[nH+]c(NCCC(=O)Nc2nccs2)nc1N(C)C c1csc(n1)[*:1] Cc1c[nH+]c(nc1N(C)C)NCCC(=O)N[*:1]
Cc1c[nH+]c(NCCC(=O)Nc2nccs2)nc1N(C)C CN(C)[*:1] Cc1c[nH+]c(nc1[*:1])NCCC(=O)Nc1nccs1
CN(C)c1cccc(C(=O)N(Cc2ccsc2)C2CC2)c1 c1cc(cs1)[*:1] CN(C)c1cccc(c1)C(=O)N(C[*:1])C1CC1
CN(C)c1cccc(C(=O)N(Cc2ccsc2)C2CC2)c1 c1cc(cs1)C[*:1] CN(C)c1cccc(c1)C(=O)N(C1CC1)[*:1]
CN(C)c1cccc(C(=O)N(Cc2ccsc2)C2CC2)c1 CN(C)[*:1] O=C(c1cccc(c1)[*:1])N(Cc1ccsc1)C1CC1
CN(C)c1cccc(C(=O)N(Cc2ccsc2)C2CC2)c1 C1CC1[*:1] CN(C)c1cccc(c1)C(=O)N(Cc1ccsc1)[*:1]
Cc1occc1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F Cc1occc1[*:1] O=C(N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)[*:1]
Cc1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1C c1csc(c1)C[*:1] Cc1ccc(cc1C)NC(=O)N[C@H](C)[*:1]
Cc1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)NC(=O)N[C@H](C)C[*:1]
CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccccc1OC(F)(F)F FC(F)(F)[*:1] CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccccc1O[*:1]
CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccccc1[*:1]
COCCC1(C[NH2+][C@@H](C)c2scnc2C)CC1 COC[*:1] Cc1ncsc1[C@H](C)[NH2+]CC1(CC1)C[*:1]
COCCC1(C[NH2+][C@@H](C)c2scnc2C)CC1 COCC[*:1] Cc1ncsc1[C@H](C)[NH2+]CC1(CC1)[*:1]
Cc1ccccc1NC(=O)Nc1ccccc1C(F)(F)F Cc1ccccc1[*:1] O=C(Nc1ccccc1C(F)(F)F)N[*:1]
Cc1ccccc1NC(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1ccccc1NC(=O)Nc1ccccc1[*:1]
CC(C)C[NH+](Cc1ccc(C(=O)[O-])cn1)C1CC1 O=C([O-])[*:1] CC(C)C[NH+](Cc1ccc(cn1)[*:1])C1CC1
CC(C)C[NH+](Cc1ccc(C(=O)[O-])cn1)C1CC1 CC(C)[*:1] O=C([O-])c1ccc(C[NH+](C[*:1])C2CC2)nc1
CC(C)C[NH+](Cc1ccc(C(=O)[O-])cn1)C1CC1 CC(C)C[*:1] O=C([O-])c1ccc(C[NH+](C2CC2)[*:1])nc1
CC(C)C[NH+](Cc1ccc(C(=O)[O-])cn1)C1CC1 C1CC1[*:1] CC(C)C[NH+](Cc1ccc(cn1)C(=O)[O-])[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(nc1)[*:1]
CC(C)[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccccn1 CC(C)[*:1] C[C@@H](Sc1ccccc1)C(=O)N[C@@H](c1ccccn1)[*:1]
CC(C)[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccccn1 c1ccc(cc1)S[*:1] CC(C)[C@@H](NC(=O)[C@@H](C)[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[C@@H](C)S[*:1])c1ccccn1
Cc1csc([C@H](C)NC(=O)N[C@H]2CCCC2(C)C)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)N[C@H]1CCCC1(C)C)[*:1]
Cc1cc(OCC(=O)NCc2cccs2)ccc1Cl c1csc(c1)[*:1] Cc1cc(ccc1Cl)OCC(=O)NC[*:1]
Cc1cc(OCC(=O)NCc2cccs2)ccc1Cl c1csc(c1)C[*:1] Cc1cc(ccc1Cl)OCC(=O)N[*:1]
Cc1ncc([C@@H](C)NC[C@@H](O)c2c(F)cccc2F)s1 Cc1ncc(s1)[*:1] C[C@@H](NC[C@@H](O)c1c(F)cccc1F)[*:1]
CCC(CC)(NC(=O)CS[C@H]1CCS(=O)(=O)C1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)CS[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1nc2ccc(NC(=O)N(C)CCOc3ccccc3)cc2s1 c1ccc(cc1)O[*:1] Cc1nc2ccc(cc2s1)NC(=O)N(C)CC[*:1]
Cc1nc2ccc(NC(=O)N(C)CCOc3ccccc3)cc2s1 c1ccc(cc1)OC[*:1] Cc1nc2ccc(cc2s1)NC(=O)N(C)C[*:1]
Cc1nc2ccc(NC(=O)N(C)CCOc3ccccc3)cc2s1 c1ccc(cc1)[*:1] Cc1nc2ccc(cc2s1)NC(=O)N(C)CCO[*:1]
N#Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 NS(=O)(=O)[*:1] N#Cc1ccc(cc1)C(=O)NCc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2[nH]nc(C3CC3)c2Cl)cc1N1CCOC1=O O=C1OCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)c1[nH]nc(c1Cl)C1CC1
Cc1ccc(NC(=O)c2[nH]nc(C3CC3)c2Cl)cc1N1CCOC1=O C1CC1[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)c1[nH]nc(c1Cl)[*:1]
O=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)c2cccc3cc[nH]c23)C1 O=C(NCC(F)(F)F)[*:1] O=C(c1cccc2cc[nH]c12)N1CCC[C@H](C1)[*:1]
O=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)c2cccc3cc[nH]c23)C1 FC(F)(F)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)c1cccc2cc[nH]c12
O=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)c2cccc3cc[nH]c23)C1 FC(F)(F)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1cccc2cc[nH]c12
CC(C)CC1(CNC(=O)C2C[C@@H](C)O[C@H](C)C2)CCC1 CC(C)C[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCC1(CCC1)[*:1]
CC(C)CC1(CNC(=O)C2C[C@@H](C)O[C@H](C)C2)CCC1 CC(C)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCC1(CCC1)C[*:1]
CCc1onc(C)c1NC(=O)N(CC)[C@@H](C)c1cccnc1 c1cncc(c1)[*:1] CCc1onc(C)c1NC(=O)N(CC)[C@@H](C)[*:1]
O=c1cc(C(O)(c2ccccc2)c2ccccc2)cc[nH]1 O=c1cc(cc[nH]1)[*:1] OC(c1ccccc1)(c1ccccc1)[*:1]
O=c1cc(C(O)(c2ccccc2)c2ccccc2)cc[nH]1 c1ccc(cc1)[*:1] O=c1cc(cc[nH]1)C(O)(c1ccccc1)[*:1]
C[C@H](NC(=O)c1ccc(C(N)=O)cn1)c1cccc(N2CCCC2)c1 NC(=O)[*:1] C[C@H](NC(=O)c1ccc(cn1)[*:1])c1cccc(c1)N1CCCC1
C[C@H](NC(=O)c1ccc(C(N)=O)cn1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H](NC(=O)c1ccc(cn1)C(N)=O)c1cccc(c1)[*:1]
C[C@@H]1CCN(C(=O)NCCC2CCCC2)C[C@@H]1O C1CCC(C1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCC[*:1]
C[C@@H]1CCN(C(=O)NCCC2CCCC2)C[C@@H]1O C1CCC(C1)C[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NC[*:1]
COc1cc(OC)c(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1Br Clc1ccccc1[*:1] COc1cc(OC)c(/C=C2\SC(=O)N(C[*:1])C2=O)cc1Br
COc1cc(OC)c(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1Br Clc1ccccc1C[*:1] COc1cc(OC)c(/C=C2\SC(=O)N(C2=O)[*:1])cc1Br
CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH2+]CCC[NH3+])CCC[C@@]21C CC(C)[*:1] C[C@]1(CCC[C@@]2(C)c3ccc(cc3CC[C@@H]12)[*:1])C[NH2+]CCC[NH3+]
CN(Cc1ccccc1F)C(=O)Nc1ccnn1Cc1ccccn1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)Nc1ccnn1Cc1ccccn1
CN(Cc1ccccc1F)C(=O)Nc1ccnn1Cc1ccccn1 c1ccc(nc1)[*:1] CN(Cc1ccccc1F)C(=O)Nc1ccnn1C[*:1]
CN(Cc1ccccc1F)C(=O)Nc1ccnn1Cc1ccccn1 Fc1ccccc1C[*:1] CN(C(=O)Nc1ccnn1Cc1ccccn1)[*:1]
CN(Cc1ccccc1F)C(=O)Nc1ccnn1Cc1ccccn1 c1ccc(C[*:1])nc1 CN(Cc1ccccc1F)C(=O)Nc1ccnn1[*:1]
Cn1c(=O)c2c(nc(NCc3ccccc3)n2CC(N)=O)n(C)c1=O c1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(N[*:1])n2CC(N)=O)n(C)c1=O
Cn1c(=O)c2c(nc(NCc3ccccc3)n2CC(N)=O)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(NC[*:1])n2CC(N)=O)n(C)c1=O
Cn1c(=O)c2c(nc(NCc3ccccc3)n2CC(N)=O)n(C)c1=O NC(=O)C[*:1] Cn1c(=O)c2c(nc(NCc3ccccc3)n2[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(NCc3ccccc3)n2CC(N)=O)n(C)c1=O c1ccc(cc1)CN[*:1] Cn1c(=O)c2c(nc(n2CC(N)=O)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(NCc3ccccc3)n2CC(N)=O)n(C)c1=O NC(=O)[*:1] Cn1c(=O)c2c(nc(NCc3ccccc3)n2C[*:1])n(C)c1=O
COC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1[*:1]
COC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(Cl)c1 COC(=O)[*:1] NC1Oc2c(c(=O)oc3ccccc23)[C@@H](C=1[*:1])c1cccc(Cl)c1
NC(=S)c1n[nH]cc1Br NC(=S)[*:1] Brc1c[nH]nc1[*:1]
COc1ccc2oc(=O)c(-c3cs/c(=N\N=C\c4ccco4)[nH]3)cc2c1 c1coc(c1)[*:1] COc1ccc2oc(=O)c(cc2c1)-c1cs/c(=N\N=C[*:1])[nH]1
CN(CCOCC1CC1)C(=O)[C@](C)(N)C(F)(F)F C1CC1C[*:1] CN(CCO[*:1])C(=O)[C@](C)(N)C(F)(F)F
CN(CCOCC1CC1)C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CN(CCOCC1CC1)C(=O)[C@](C)(N)[*:1]
CN(CCOCC1CC1)C(=O)[C@](C)(N)C(F)(F)F C1CC1COC[*:1] CN(C[*:1])C(=O)[C@](C)(N)C(F)(F)F
CN(CCOCC1CC1)C(=O)[C@](C)(N)C(F)(F)F C1CC1[*:1] CN(CCOC[*:1])C(=O)[C@](C)(N)C(F)(F)F
CN(CCOCC1CC1)C(=O)[C@](C)(N)C(F)(F)F C1CC1CO[*:1] CN(CC[*:1])C(=O)[C@](C)(N)C(F)(F)F
Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(-c2c(C)nn3c2NC(=O)CCC3=O)ccc1C Cc1cc(Cl)ccc1[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])-c1c(C)nn2C(=O)CCC(=O)Nc12
O=C(NCCc1cscn1)[C@H]1CSCN1C(=O)c1cccc(F)c1 c1nc(cs1)C[*:1] O=C(NC[*:1])[C@H]1CSCN1C(=O)c1cccc(F)c1
O=C(NCCc1cscn1)[C@H]1CSCN1C(=O)c1cccc(F)c1 c1nc(cs1)CC[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)c1cccc(F)c1
O=C(NCCc1cscn1)[C@H]1CSCN1C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCc1cscn1)[C@H]1CSCN1C(=O)[*:1]
O=C(NCCc1cscn1)[C@H]1CSCN1C(=O)c1cccc(F)c1 c1nc(cs1)[*:1] O=C(NCC[*:1])[C@H]1CSCN1C(=O)c1cccc(F)c1
C#Cc1cccc(NCC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c1 c1ccc(cc1)[*:1] C#Cc1cccc(c1)NCC(=O)Nc1cc(ccc1C)NC(=O)[*:1]
C#Cc1cccc(NCC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c1 O=C(N[*:1])c1ccccc1 C#Cc1cccc(c1)NCC(=O)Nc1cc(ccc1C)[*:1]
C#Cc1cccc(NCC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c1 C#Cc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)CN[*:1])NC(=O)c1ccccc1
C#Cc1cccc(NCC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c1 C#Cc1cccc(c1)N[*:1] Cc1ccc(cc1NC(=O)C[*:1])NC(=O)c1ccccc1
NNC(=O)c1cccc(-c2nc3ccccc3s2)c1 NNC(=O)[*:1] c1cc(cc(c1)[*:1])-c1nc2ccccc2s1
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1nccs1 c1csc(n1)[*:1] N#C/C(=C/c1ccc(o1)-c1ccccc1Cl)C(=O)N[*:1]
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1nccs1 Clc1ccccc1[*:1] N#C/C(=C/c1ccc(o1)[*:1])C(=O)Nc1nccs1
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] N#CC(=Cc1ccc(o1)-c1ccccc1Cl)[*:1]
Cc1sc(NC(=O)c2cc(Br)cs2)c(C#N)c1C Brc1csc(c1)[*:1] Cc1sc(NC(=O)[*:1])c(C#N)c1C
CNC(=O)c1ccc(CN(C)C(=O)C[C@H](NC(C)=O)c2cccs2)cc1 CC(=O)N[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)C[C@H](c1cccs1)[*:1]
CNC(=O)c1ccc(CN(C)C(=O)C[C@H](NC(C)=O)c2cccs2)cc1 CNC(=O)[*:1] CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(cc1)[*:1])c1cccs1
CNC(=O)c1ccc(CN(C)C(=O)C[C@H](NC(C)=O)c2cccs2)cc1 c1csc(c1)[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)C[C@H](NC(C)=O)[*:1]
COc1ccccc1CNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 COc1ccccc1[*:1] O=C(NC[*:1])c1ccc(cc1)N1CCCCS1(=O)=O
COc1ccccc1CNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 O=S1(=O)CCCCN1[*:1] COc1ccccc1CNC(=O)c1ccc(cc1)[*:1]
CN(Cc1cc(-c2ccccc2)n[nH]1)c1ncccn1 c1ccc(cc1)[*:1] CN(Cc1cc(n[nH]1)[*:1])c1ncccn1
CN(Cc1cc(-c2ccccc2)n[nH]1)c1ncccn1 c1cnc(nc1)[*:1] CN(Cc1cc(n[nH]1)-c1ccccc1)[*:1]
CNC(=O)NCC(=O)Nc1c(F)cccc1N1CCCC1 C1CCN(C1)[*:1] CNC(=O)NCC(=O)Nc1c(F)cccc1[*:1]
CNC(=O)NCC(=O)Nc1c(F)cccc1N1CCCC1 CNC(=O)N[*:1] O=C(C[*:1])Nc1c(F)cccc1N1CCCC1
CNC(=O)NCC(=O)Nc1c(F)cccc1N1CCCC1 CNC(=O)NC[*:1] O=C(Nc1c(F)cccc1N1CCCC1)[*:1]
CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1
CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 c1cc2CCCCc2cc1[*:1] CCc1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCOCCN(C)S(=O)(=O)c1cc(Cl)ccc1C#N CCOC[*:1] CN(C[*:1])S(=O)(=O)c1cc(Cl)ccc1C#N
CCOCCN(C)S(=O)(=O)c1cc(Cl)ccc1C#N CCOCC[*:1] CN(S(=O)(=O)c1cc(Cl)ccc1C#N)[*:1]
CCOCCN(C)S(=O)(=O)c1cc(Cl)ccc1C#N CCO[*:1] CN(CC[*:1])S(=O)(=O)c1cc(Cl)ccc1C#N
O=C(Nc1cccnc1)C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1cccnc1)C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
O=C(Nc1cccnc1)C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 O=C(NCC(F)(F)F)[*:1] O=C(Nc1cccnc1)C(=O)N1CCC[C@H](C1)[*:1]
O=C(Nc1cccnc1)C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 c1cncc(c1)[*:1] O=C(N[*:1])C(=O)N1CCC[C@@H](C1)C(=O)NCC(F)(F)F
O=C(Nc1cccnc1)C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(Nc1cccnc1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)[*:1]
COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C(C)C)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)C(=O)N[*:1])C(C)C
COc1ccc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)[*:1]
CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)S[C@H](C)C2 CCS[*:1] COc1ccc(cc1)-n1c(nc2C[C@@H](C)Sc2c1=O)[*:1]
C[C@@H]1C[C@@H](O)[C@@]2(C)C(C(=O)[O-])=CCC[C@@H]2[C@@]1(C)CCC1=C[C@H](O)OC1=O O=C([O-])[*:1] C[C@@H]1C[C@@H](O)[C@@]2(C)C(=CCC[C@@H]2[C@@]1(C)CCC1=C[C@H](O)OC1=O)[*:1]
COc1ccccc1CCN(C)C(=O)[C@H](C)c1ccsc1 c1cc(cs1)[*:1] COc1ccccc1CCN(C)C(=O)[C@H](C)[*:1]
COc1ccc(CNC(=O)[C@H](C)Sc2cccc(C)c2)cc1OC Cc1cccc(c1)S[*:1] COc1ccc(cc1OC)CNC(=O)[C@H](C)[*:1]
COc1ccc(CNC(=O)[C@H](C)Sc2cccc(C)c2)cc1OC Cc1cccc(c1)[*:1] COc1ccc(cc1OC)CNC(=O)[C@H](C)S[*:1]
CCN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] CCN(C(=O)Cn1nnc(n1)[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)n1cc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)cn1 NC(=O)N[*:1] CC(C)n1cc(cn1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CC(C)n1cc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)cn1 CC(C)n1cc(cn1)[*:1] NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1]
CC(C)n1cc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)cn1 CC(C)[*:1] NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cnn(c1)[*:1]
C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3Cl)N2C1=O Clc1ccccc1[*:1] C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N[*:1])N2C1=O
Cc1ccc(-n2[nH]c(C(=O)N3CCOC[C@@H]3CC(C)C)cc2=O)cc1 CC(C)C[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N1CCOC[C@H]1[*:1]
Cc1ccc(-n2[nH]c(C(=O)N3CCOC[C@@H]3CC(C)C)cc2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N1CCOC[C@@H]1C[*:1]
Cc1ccc(-n2[nH]c(C(=O)N3CCOC[C@@H]3CC(C)C)cc2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@H]1COCCN1C(=O)c1cc(=O)n([nH]1)[*:1]
O=C([O-])COc1ccccc1/C=C1/SC(=O)N(c2ccc(F)cc2)C1=O O=C([O-])C[*:1] O=C1S/C(=C/c2ccccc2O[*:1])C(=O)N1c1ccc(F)cc1
O=C([O-])COc1ccccc1/C=C1/SC(=O)N(c2ccc(F)cc2)C1=O O=C([O-])CO[*:1] O=C1S/C(=C/c2ccccc2[*:1])C(=O)N1c1ccc(F)cc1
O=C([O-])COc1ccccc1/C=C1/SC(=O)N(c2ccc(F)cc2)C1=O O=C([O-])[*:1] O=C1S/C(=C/c2ccccc2OC[*:1])C(=O)N1c1ccc(F)cc1
O=C([O-])COc1ccccc1/C=C1/SC(=O)N(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] O=C([O-])COc1ccccc1/C=C1/SC(=O)N(C1=O)[*:1]
CCN(C[C@@H]1CCCO1)C[C@H]1CC[NH2+][C@@H]1C C1CO[C@@H](C1)[*:1] CCN(C[C@H]1CC[NH2+][C@@H]1C)C[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 C1CCC(CC1)[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)[*:1]
Cn1cc(C(=O)NNC(=O)CNC(=O)CNC(=O)c2cccs2)c2ccccc21 O=C(NC[*:1])c1cccs1 Cn1cc(C(=O)NNC(=O)CNC(=O)[*:1])c2ccccc21
Cn1cc(C(=O)NNC(=O)CNC(=O)CNC(=O)c2cccs2)c2ccccc21 O=C(N[*:1])c1cccs1 Cn1cc(C(=O)NNC(=O)CNC(=O)C[*:1])c2ccccc21
Cn1cc(C(=O)NNC(=O)CNC(=O)CNC(=O)c2cccs2)c2ccccc21 c1csc(c1)[*:1] Cn1cc(C(=O)NNC(=O)CNC(=O)CNC(=O)[*:1])c2ccccc21
COCc1c(C(=O)NC(C)C)nnn1-c1ccc(C)cc1 CC(C)[*:1] COCc1c(nnn1-c1ccc(C)cc1)C(=O)N[*:1]
COCc1c(C(=O)NC(C)C)nnn1-c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)-n1nnc(C(=O)NC(C)C)c1[*:1]
COCc1c(C(=O)NC(C)C)nnn1-c1ccc(C)cc1 CC(C)NC(=O)[*:1] COCc1c(nnn1-c1ccc(C)cc1)[*:1]
COCc1c(C(=O)NC(C)C)nnn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCc1c(nnn1[*:1])C(=O)NC(C)C
CC(C)Cc1ccc([C@H](O)[C@@H]([NH3+])c2ccccc2)cc1 CC(C)C[*:1] [NH3+][C@@H](c1ccccc1)[C@@H](O)c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@H](O)[C@@H]([NH3+])c2ccccc2)cc1 CC(C)[*:1] [NH3+][C@@H](c1ccccc1)[C@@H](O)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@H](O)[C@@H]([NH3+])c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)Cc1ccc(cc1)[C@H](O)[C@@H]([NH3+])[*:1]
Cc1cccc(CNc2ncnc3c2cnn3-c2ccccn2)c1 Cc1cccc(c1)[*:1] c1ccc(nc1)-n1ncc2c(ncnc21)NC[*:1]
Cc1cccc(CNc2ncnc3c2cnn3-c2ccccn2)c1 Cc1cccc(c1)C[*:1] c1ccc(nc1)-n1ncc2c(ncnc21)N[*:1]
Cc1cccc(CNc2ncnc3c2cnn3-c2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)CNc1ncnc2c1cnn2[*:1]
N#C[C@H](Nc1cccc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] N#C[C@H](Nc1cccc2ccccc12)[*:1]
CC(C)C[C@@H]1CCCN(C(=O)Nc2c[nH]nc2-c2ccccn2)C1 CC(C)C[*:1] O=C(Nc1c[nH]nc1-c1ccccn1)N1CCC[C@H](C1)[*:1]
CC(C)C[C@@H]1CCCN(C(=O)Nc2c[nH]nc2-c2ccccn2)C1 CC(C)[*:1] O=C(Nc1c[nH]nc1-c1ccccn1)N1CCC[C@H](C1)C[*:1]
CC(C)C[C@@H]1CCCN(C(=O)Nc2c[nH]nc2-c2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)C[C@@H]1CCCN(C1)C(=O)Nc1c[nH]nc1[*:1]
Cc1ccc(C)c(NC(=S)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=S(=O)(c1ccc(cc1)NC(=S)N[*:1])N1CCCc2ccccc21
CC(=O)N1CCN(c2c(Cl)cccc2[C@@H]2C[C@H](C(=O)[O-])CC2=O)CC1 O=C([O-])[*:1] CC(=O)N1CCN(CC1)c1c(Cl)cccc1[C@@H]1C[C@H](CC1=O)[*:1]
Cn1cncc1C(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 Cn1cncc1[*:1] O=C(N1CCc2[nH]nc(-c3ccc(cc3)-c3ccccc3)c2C1)[*:1]
Cn1cncc1C(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 c1ccc(cc1)[*:1] Cn1cncc1C(=O)N1CCc2[nH]nc(-c3ccc(cc3)[*:1])c2C1
Cn1ccnc1[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1])c1ccc(Cl)cc1
Cn1ccnc1[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)[C@H]1CCCN(C1)C(=O)Nc1ccccc1)[*:1]
Cn1ccnc1[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1 Cn1ccnc1[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1
COc1cccc(C(=O)N[C@@H](C)c2ccc(C)o2)n1 Cc1ccc(o1)[*:1] COc1cccc(n1)C(=O)N[C@@H](C)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)c1 Fc1cccc(c1)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)c1 CCOC(=O)[*:1] O=C(CCc1cccc(F)c1)N1CCC[C@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)c1 Fc1cccc(c1)CC[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)c1 Fc1cccc(c1)C[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1cc(NC(=O)C(=O)NCc2ccccc2-n2ccnc2)c2ncccc2c1 c1cn(cn1)[*:1] Cc1cc(NC(=O)C(=O)NCc2ccccc2[*:1])c2ncccc2c1
COc1ccc(C(=O)C2CCN(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 COc1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)N1CCC(CC1)C(=O)[*:1]
CCCn1cc[nH+]c1CC(=O)[C@@](C)(CC)N1CCOCC1 CCC[*:1] CC[C@](C)(C(=O)Cc1[nH+]ccn1[*:1])N1CCOCC1
CCCn1cc[nH+]c1CC(=O)[C@@](C)(CC)N1CCOCC1 C1CN(CCO1)[*:1] CCCn1cc[nH+]c1CC(=O)[C@@](C)(CC)[*:1]
Cc1ccn2c([C@H]3C[C@@H]3C(=O)[O-])nnc2c1 O=C([O-])[*:1] Cc1ccn2c(nnc2c1)[C@H]1C[C@H]1[*:1]
CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[C@@H]2C(=O)[O-])C(C)(C)O1 O=C([O-])[*:1] CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2[*:1])C(C)(C)O1
COc1ccc(-c2nnc([C@H](C)OC(=O)c3cnn(-c4ccccc4)c3)o2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nnc(o1)[C@H](C)OC(=O)c1cnn(c1)[*:1]
COc1ccc(-c2nnc([C@H](C)OC(=O)c3cnn(-c4ccccc4)c3)o2)cc1 COc1ccc(cc1)[*:1] C[C@H](OC(=O)c1cnn(c1)-c1ccccc1)c1nnc(o1)[*:1]
COCCc1nnc(S[C@@H]2CCCc3ccccc32)n1N COCC[*:1] Nn1c(nnc1[*:1])S[C@@H]1CCCc2ccccc21
COCCc1nnc(S[C@@H]2CCCc3ccccc32)n1N COC[*:1] Nn1c(C[*:1])nnc1S[C@@H]1CCCc2ccccc21
Cc1[nH]nc(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1[N+](=O)[O-] Cc1[nH]nc(c1[N+](=O)[O-])[*:1] O=C(N1CCC[C@H](C1)C[NH+]1CCN(CC1)c1ccccn1)[*:1]
Cc1[nH]nc(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1[N+](=O)[O-] c1ccc(nc1)[*:1] Cc1[nH]nc(C(=O)N2CCC[C@H](C2)C[NH+]2CCN(CC2)[*:1])c1[N+](=O)[O-]
Cc1[nH]nc(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1[nH]nc(C(=O)N2CCC[C@H](C2)C[NH+]2CCN(CC2)c2ccccn2)c1[*:1]
COC(=O)c1c(NC(=O)COc2ccccc2)sc2ccccc12 c1ccc(cc1)O[*:1] COC(=O)c1c(NC(=O)C[*:1])sc2ccccc12
COC(=O)c1c(NC(=O)COc2ccccc2)sc2ccccc12 c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)CO[*:1])sc2ccccc12
COC(=O)c1c(NC(=O)COc2ccccc2)sc2ccccc12 COC(=O)[*:1] O=C(COc1ccccc1)Nc1sc2ccccc2c1[*:1]
COC(=O)c1c(NC(=O)COc2ccccc2)sc2ccccc12 c1ccc(cc1)OC[*:1] COC(=O)c1c(NC(=O)[*:1])sc2ccccc12
CN(C)S(=O)(=O)c1cccc(CSc2ncccc2N)c1 Nc1cccnc1[*:1] CN(C)S(=O)(=O)c1cccc(c1)CS[*:1]
CN(C)S(=O)(=O)c1cccc(CSc2ncccc2N)c1 CN(C)S(=O)(=O)[*:1] Nc1cccnc1SCc1cccc(c1)[*:1]
CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2nc(C(C)(C)C)no2)C1=O c1ccc(cc1)[*:1] CCC[C@]1(NC(=O)N(Cc2nc(no2)C(C)(C)C)C1=O)[*:1]
CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2nc(C(C)(C)C)no2)C1=O CC(C)(C)[*:1] CCC[C@]1(NC(=O)N(Cc2nc(no2)[*:1])C1=O)c1ccccc1
CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2nc(C(C)(C)C)no2)C1=O CCC[*:1] CC(C)(C)c1noc(CN2C(=O)N[C@@](C2=O)(c2ccccc2)[*:1])n1
Cc1ccccc1[C@H]([NH2+]CC1CCS(=O)(=O)CC1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)[*:1]
Cc1ccccc1[C@H]([NH2+]CC1CCS(=O)(=O)CC1)C(C)C CC(C)[*:1] Cc1ccccc1[C@H]([NH2+]CC1CCS(=O)(=O)CC1)[*:1]
CCOC(=O)C[C@H](C)CNC(=O)Nc1ccc(C)cc1C CCOC(=O)C[*:1] Cc1ccc(NC(=O)NC[C@@H](C)[*:1])c(C)c1
CCOC(=O)C[C@H](C)CNC(=O)Nc1ccc(C)cc1C CCOC(=O)[*:1] Cc1ccc(NC(=O)NC[C@@H](C)C[*:1])c(C)c1
Oc1cccc(C[NH+](Cc2c[nH]nc2-c2cccnc2)CC2CC2)c1 Oc1cccc(c1)C[*:1] c1cncc(c1)-c1n[nH]cc1C[NH+](CC1CC1)[*:1]
Oc1cccc(C[NH+](Cc2c[nH]nc2-c2cccnc2)CC2CC2)c1 C1CC1C[*:1] Oc1cccc(c1)C[NH+](Cc1c[nH]nc1-c1cccnc1)[*:1]
Oc1cccc(C[NH+](Cc2c[nH]nc2-c2cccnc2)CC2CC2)c1 C1CC1[*:1] Oc1cccc(c1)C[NH+](Cc1c[nH]nc1-c1cccnc1)C[*:1]
Oc1cccc(C[NH+](Cc2c[nH]nc2-c2cccnc2)CC2CC2)c1 c1cncc(c1)[*:1] Oc1cccc(c1)C[NH+](Cc1c[nH]nc1[*:1])CC1CC1
Oc1cccc(C[NH+](Cc2c[nH]nc2-c2cccnc2)CC2CC2)c1 Oc1cccc(c1)[*:1] c1cncc(c1)-c1n[nH]cc1C[NH+](CC1CC1)C[*:1]
CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccccc2Oc2ccccc2Cl)CC1 Clc1ccccc1O[*:1] CC[C@@H](C)NC(=O)CN1CCN(CC1)C(=O)Nc1ccccc1[*:1]
CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccccc2Oc2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC[C@@H](C)NC(=O)CN1CCN(CC1)C(=O)Nc1ccccc1O[*:1]
C[C@H](NC(=O)COc1ccccc1F)c1ccc(-n2ccnc2)cc1 Fc1ccccc1O[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-n1ccnc1
C[C@H](NC(=O)COc1ccccc1F)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NC(=O)COc1ccccc1F)c1ccc(cc1)[*:1]
C[C@H](NC(=O)COc1ccccc1F)c1ccc(-n2ccnc2)cc1 Fc1ccccc1[*:1] C[C@H](NC(=O)CO[*:1])c1ccc(cc1)-n1ccnc1
CCN(C(=O)N[C@@H](C)c1ncc(C)s1)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(C(=O)N[C@@H](C)c1ncc(C)s1)[C@@H](C)[*:1]
CCN(C(=O)N[C@@H](C)c1ncc(C)s1)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(C(=O)N[C@@H](C)c1ncc(C)s1)[C@@H](C)C[*:1]
CCN(C(=O)N[C@@H](C)c1ncc(C)s1)[C@@H](C)CS(C)(=O)=O Cc1cnc(s1)[*:1] CCN(C(=O)N[C@@H](C)[*:1])[C@@H](C)CS(C)(=O)=O
CCN(C(=O)N[C@@H](C)c1ncc(C)s1)[C@@H](C)CS(C)(=O)=O C[C@@H](CS(C)(=O)=O)[*:1] CCN(C(=O)N[C@@H](C)c1ncc(C)s1)[*:1]
CC(C)Cn1c[nH+]cc1CNC(=O)[C@H](C)n1cc[nH+]c1C(C)C CC(C)[*:1] CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCc1c[nH+]cn1C[*:1]
CC(C)Cn1c[nH+]cc1CNC(=O)[C@H](C)n1cc[nH+]c1C(C)C CC(C)[*:1] CC(C)Cn1c[nH+]cc1CNC(=O)[C@H](C)n1cc[nH+]c1[*:1]
CC(C)Cn1c[nH+]cc1CNC(=O)[C@H](C)n1cc[nH+]c1C(C)C CC(C)C[*:1] CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCc1c[nH+]cn1[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)c1 CC(C)(C)n1cc(cn1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)c1 CC(C)(C)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cnn(c1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)(C)n1cc(cn1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1nn(-c2ccc(F)cc2)cc1-c1ccnc(NCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nn(cc1-c1ccnc(n1)NC[*:1])-c1ccc(F)cc1
Cc1nn(-c2ccc(F)cc2)cc1-c1ccnc(NCc2ccccc2)n1 Fc1ccc(cc1)[*:1] Cc1nn(cc1-c1ccnc(n1)NCc1ccccc1)[*:1]
Cc1nn(-c2ccc(F)cc2)cc1-c1ccnc(NCc2ccccc2)n1 c1ccc(cc1)CN[*:1] Cc1nn(cc1-c1ccnc(n1)[*:1])-c1ccc(F)cc1
Cc1nn(-c2ccc(F)cc2)cc1-c1ccnc(NCc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1nn(cc1-c1ccnc(n1)N[*:1])-c1ccc(F)cc1
O=[N+]([O-])c1ccc2nc(SCc3cn4ccsc4n3)[nH]c2c1 O=[N+]([O-])[*:1] c1cn2cc(CSc3nc4ccc(cc4[nH]3)[*:1])nc2s1
O=C(NCc1nnc2n1CCCCC2)c1cncn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1nnc2CCCCCn21)c1cncn1[*:1]
CCOc1ccccc1N1CCN(C(=O)CN2CCSC2=O)CC1 CCO[*:1] O=C(CN1CCSC1=O)N1CCN(CC1)c1ccccc1[*:1]
CCOc1ccccc1N1CCN(C(=O)CN2CCSC2=O)CC1 O=C1SCCN1C[*:1] CCOc1ccccc1N1CCN(CC1)C(=O)[*:1]
CCOc1ccccc1N1CCN(C(=O)CN2CCSC2=O)CC1 O=C1SCCN1[*:1] CCOc1ccccc1N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(-c2nc(C[NH+](C)Cc3cccs3)co2)cc1 Cc1ccc(cc1)[*:1] C[NH+](Cc1coc(n1)[*:1])Cc1cccs1
Cc1ccc(-c2nc(C[NH+](C)Cc3cccs3)co2)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)-c1nc(co1)C[NH+](C)[*:1]
Cc1ccc(-c2nc(C[NH+](C)Cc3cccs3)co2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)-c1nc(co1)C[NH+](C)C[*:1]
CCc1ccc([C@@H]2C[C@H](C)CCN2c2ncc([N+](=O)[O-])c(N)n2)o1 O=[N+]([O-])[*:1] CCc1ccc(o1)[C@@H]1C[C@H](C)CCN1c1ncc(c(N)n1)[*:1]
CCc1ccc([C@@H]2C[C@H](C)CCN2c2ncc([N+](=O)[O-])c(N)n2)o1 CCc1ccc(o1)[*:1] C[C@@H]1CCN(c2ncc(c(N)n2)[N+](=O)[O-])[C@@H](C1)[*:1]
COc1cccc(-c2cc(C(=O)Nc3ccc(-c4c[nH+]c5n4CCC5)cc3)[nH]n2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)-c1c[nH+]c2CCCn12)c1cc(n[nH]1)[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(c1cc(C)on1)C3=O O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc2oc3C(=O)N(c4cc(C)on4)[C@@H](c3c(=O)c2c1)[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(c1cc(C)on1)C3=O Cc1cc(no1)[*:1] Cc1ccc2oc3C(=O)N([C@@H](c4ccc(cc4)[N+](=O)[O-])c3c(=O)c2c1)[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(c1cc(C)on1)C3=O O=[N+]([O-])[*:1] Cc1ccc2oc3C(=O)N(c4cc(C)on4)[C@@H](c4ccc(cc4)[*:1])c3c(=O)c2c1
O=C([O-])[C@@H]1CSCN1C(=O)c1cccc(Cl)c1 O=C([O-])[*:1] O=C(c1cccc(Cl)c1)N1CSC[C@H]1[*:1]
c1ccc(-c2cc(CC3(NCc4ccncc4)COC3)no2)nc1 c1ccc(nc1)[*:1] c1cc(ccn1)CNC1(COC1)Cc1cc(on1)[*:1]
c1ccc(-c2cc(CC3(NCc4ccncc4)COC3)no2)nc1 c1cc(ccn1)C[*:1] c1ccc(nc1)-c1cc(CC2(COC2)N[*:1])no1
c1ccc(-c2cc(CC3(NCc4ccncc4)COC3)no2)nc1 c1cc(ccn1)[*:1] c1ccc(nc1)-c1cc(CC2(COC2)NC[*:1])no1
c1ccc(-c2cc(CC3(NCc4ccncc4)COC3)no2)nc1 c1cc(ccn1)CN[*:1] c1ccc(nc1)-c1cc(CC2(COC2)[*:1])no1
CC[C@@H](C)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 CC[C@@H](C)[*:1] COc1ccc(cc1OC)[C@@H](C[NH3+])[*:1]
COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C(=O)N2CCCC2)c1C O=C(N1CCCC1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C(=O)N2CCCC2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)N[C@H](C)C(=O)N2CCCC2)c(C)c1[*:1]
O=C(OCC(=O)N1CCCC1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(OCC(=O)N1CCCC1)c1cn(nc1-c1ccc(F)cc1)[*:1]
O=C(OCC(=O)N1CCCC1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 O=C(C[*:1])N1CCCC1 O=C(O[*:1])c1cn(nc1-c1ccc(F)cc1)-c1ccccc1
O=C(OCC(=O)N1CCCC1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 O=C(N1CCCC1)[*:1] O=C(OC[*:1])c1cn(nc1-c1ccc(F)cc1)-c1ccccc1
O=C(OCC(=O)N1CCCC1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(OCC(=O)N1CCCC1)c1cn(nc1[*:1])-c1ccccc1
N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCN(CC1)C[*:1]
N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCN(CC1)[*:1]
CCn1c(-c2ccco2)nn(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1=S c1coc(c1)[*:1] CCn1c(nn(C[NH+]2CCC(CC2)C(=O)c2ccc3OCCOc3c2)c1=S)[*:1]
CCn1c(-c2ccco2)nn(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1=S c1cc2OCCOc2cc1[*:1] CCn1c(nn(C[NH+]2CCC(CC2)C(=O)[*:1])c1=S)-c1ccco1
Cc1cc(NC(=O)C(=O)NCc2ccc(F)cc2)no1 Cc1cc(no1)[*:1] O=C(NCc1ccc(F)cc1)C(=O)N[*:1]
Cc1ccc(-c2ccc(OC(=O)c3ccc(=O)[nH]c3)c(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ccc1OC(=O)c1ccc(=O)[nH]c1)[*:1]
Cc1ccc(-c2ccc(OC(=O)c3ccc(=O)[nH]c3)c(C)c2)cc1 O=c1ccc(c[nH]1)[*:1] Cc1ccc(cc1)-c1ccc(OC(=O)[*:1])c(C)c1
CCC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@]2(C)CCCO2)C1 O=C([O-])[*:1] CCC[C@]1(CCN(C1)C(=O)NC[C@]1(C)CCCO1)[*:1]
CCC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@]2(C)CCCO2)C1 CCC[*:1] C[C@]1(CCCO1)CNC(=O)N1CC[C@@](C1)(C(=O)[O-])[*:1]
CCC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@]2(C)CCCO2)C1 C[C@@]1(CCCO1)[*:1] CCC[C@]1(CCN(C1)C(=O)NC[*:1])C(=O)[O-]
CCC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@]2(C)CCCO2)C1 C[C@]1(CCCO1)C[*:1] CCC[C@]1(CCN(C1)C(=O)N[*:1])C(=O)[O-]
C[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@H]1[NH3+] c1cc(n[nH]1)[*:1] C[C@H]1CN(CC[C@H]1[NH3+])C(=O)[*:1]
CCCn1nccc1[C@H]([NH3+])[C@H]1CSCCS1 CCC[*:1] [NH3+][C@@H](c1ccnn1[*:1])[C@H]1CSCCS1
CCCS[C@@H]1CC[C@](C#N)(NC(C)C)C1 CC(C)[*:1] CCCS[C@@H]1CC[C@@](C#N)(C1)N[*:1]
CCCS[C@@H]1CC[C@](C#N)(NC(C)C)C1 CCCS[*:1] CC(C)N[C@@]1(C#N)CC[C@H](C1)[*:1]
CCCS[C@@H]1CC[C@](C#N)(NC(C)C)C1 CCC[*:1] CC(C)N[C@@]1(C#N)CC[C@H](C1)S[*:1]
CCCS[C@@H]1CC[C@](C#N)(NC(C)C)C1 CC(C)N[*:1] CCCS[C@@H]1CC[C@](C#N)(C1)[*:1]
CCOc1ccc(C(=S)NC[C@@H]2CCCO2)cc1 CCO[*:1] S=C(NC[C@@H]1CCCO1)c1ccc(cc1)[*:1]
CCOc1ccc(C(=S)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] CCOc1ccc(cc1)C(=S)N[*:1]
CCOc1ccc(C(=S)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CCOc1ccc(cc1)C(=S)NC[*:1]
CO[C@@H](C[NH2+][C@H](C)C1CCOCC1)c1cccc(Cl)c1 C1CC(CCO1)[*:1] CO[C@@H](C[NH2+][C@H](C)[*:1])c1cccc(Cl)c1
Cn1nc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)cc1NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 Cn1nc(cc1[*:1])C(=O)NCc1nc2ccccc2n1Cc1ccccc1
Cn1nc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)cc1NC(=O)C1CCCC1 c1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)C1CCCC1)C(=O)NCc1nc2ccccc2n1[*:1]
Cn1nc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)cc1NC(=O)C1CCCC1 c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)C1CCCC1)C(=O)NCc1nc2ccccc2n1C[*:1]
Cn1nc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)cc1NC(=O)C1CCCC1 C1CCC(C1)[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)NCc1nc2ccccc2n1Cc1ccccc1
O=C(Nc1cc(F)cc(F)c1)N1CCCC[C@H]1c1nnc2n1CCCC2 Fc1cc(F)cc(c1)[*:1] O=C(N[*:1])N1CCCC[C@H]1c1nnc2CCCCn21
CC[C@@H](NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@@H](NC(=O)[C@H]1CCN(C1=O)c1cccc(Cl)c1)[*:1]
CC[C@@H](NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1nc(C)n[nH]1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)[C@H]1CCN(C1=O)[*:1])c1nc(C)n[nH]1
C[C@@](O)(CN[C@H](Cc1ccncc1)C(F)(F)F)c1ccc(F)cc1 c1cc(ccn1)[*:1] C[C@@](O)(CN[C@H](C[*:1])C(F)(F)F)c1ccc(F)cc1
C[C@@](O)(CN[C@H](Cc1ccncc1)C(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CN[C@H](Cc1ccncc1)C(F)(F)F)[*:1]
C[C@@](O)(CN[C@H](Cc1ccncc1)C(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] C[C@@](O)(CN[C@H](Cc1ccncc1)[*:1])c1ccc(F)cc1
C[C@@](O)(CN[C@H](Cc1ccncc1)C(F)(F)F)c1ccc(F)cc1 c1cc(ccn1)C[*:1] C[C@@](O)(CN[C@H](C(F)(F)F)[*:1])c1ccc(F)cc1
CC[C@@H](C)SCC(=O)Cc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] CC[C@@H](C)SCC(=O)Cc1nc(cs1)[*:1]
CC[C@@H](C)SCC(=O)Cc1nc(-c2ccccc2)cs1 CC[C@@H](C)[*:1] O=C(CS[*:1])Cc1nc(cs1)-c1ccccc1
Cc1cccc(NC(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c1C NC(=O)[*:1] Cc1cccc(NC(=O)Cn2nnc(n2)-c2ccc(cc2)[*:1])c1C
Cc1cccc(NC(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c1C Cc1cccc(c1C)[*:1] NC(=O)c1ccc(cc1)-c1nnn(CC(=O)N[*:1])n1
C[C@H](CN(C)Cn1c(Cc2cccs2)n[nH]c1=S)c1ccccc1 C[C@H](c1ccccc1)[*:1] CN(Cn1c(Cc2cccs2)n[nH]c1=S)C[*:1]
C[C@H](CN(C)Cn1c(Cc2cccs2)n[nH]c1=S)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CN(C)Cn1c(Cc2cccs2)n[nH]c1=S)[*:1]
C[C@H](CN(C)Cn1c(Cc2cccs2)n[nH]c1=S)c1ccccc1 c1csc(c1)C[*:1] C[C@H](CN(C)Cn1c(n[nH]c1=S)[*:1])c1ccccc1
C[C@H](CN(C)Cn1c(Cc2cccs2)n[nH]c1=S)c1ccccc1 c1csc(c1)[*:1] C[C@H](CN(C)Cn1c(C[*:1])n[nH]c1=S)c1ccccc1
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc3c(c2)OCO3)c(C)c1 c1cc2OCOc2cc1[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC[C@H]1CNC(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc3c(c2)OCO3)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(NC[C@@H]1CCCN1S(=O)(=O)[*:1])c1ccc2OCOc2c1
COc1cccc2cc(C(=O)N3CCN(C(=O)[C@@H]4C[C@@H]4c4ccccc4)CC3)c(=O)oc12 c1ccc(cc1)[*:1] COc1cccc2cc(C(=O)N3CCN(CC3)C(=O)[C@@H]3C[C@H]3[*:1])c(=O)oc12
COc1ccc(-n2nc(SCC(=O)Nc3ccc(Cl)cc3F)ccc2=O)cc1 COc1ccc(cc1)[*:1] O=C(CSc1ccc(=O)n(n1)[*:1])Nc1ccc(Cl)cc1F
COc1ccc(-n2nc(SCC(=O)Nc3ccc(Cl)cc3F)ccc2=O)cc1 Fc1cc(Cl)ccc1[*:1] COc1ccc(cc1)-n1nc(ccc1=O)SCC(=O)N[*:1]
NC(=O)[C@@H]1CCN(C(=O)CCc2cccc(Br)c2)C1 NC(=O)[*:1] O=C(CCc1cccc(Br)c1)N1CC[C@H](C1)[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(F)cc1Br Oc1cccc(c1)[*:1] C[C@@H](N(C)C(=O)Nc1ccc(F)cc1Br)[*:1]
Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@H](NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
CC(C)N1C(=O)C[C@@H](NC(=O)c2cc(Br)c[nH]2)C1=O CC(C)[*:1] O=C(N[C@@H]1CC(=O)N(C1=O)[*:1])c1cc(Br)c[nH]1
CC(C)N1C(=O)C[C@@H](NC(=O)c2cc(Br)c[nH]2)C1=O Brc1c[nH]c(c1)[*:1] CC(C)N1C(=O)C[C@@H](NC(=O)[*:1])C1=O
O=C(CCc1ccccc1)NNC(=S)NC(=O)C1CC1 c1ccc(cc1)[*:1] O=C(CC[*:1])NNC(=S)NC(=O)C1CC1
O=C(CCc1ccccc1)NNC(=S)NC(=O)C1CC1 C1CC1[*:1] O=C(CCc1ccccc1)NNC(=S)NC(=O)[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(COC)cc1)n2CC COC[*:1] CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(cc1)[*:1])n2CC
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(COC)cc1)n2CC CCC[*:1] CCn1c(nc2c1c(=O)[nH]c(=O)n2C[*:1])-c1ccc(cc1)COC
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(COC)cc1)n2CC CCCC[*:1] CCn1c(nc2c1c(=O)[nH]c(=O)n2[*:1])-c1ccc(cc1)COC
C[C@@]1(C(=O)N(CCC(F)(F)F)CC2CC2)Cc2ccccc2C(=O)O1 C1CC1[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)N(CCC(F)(F)F)C[*:1]
C[C@@]1(C(=O)N(CCC(F)(F)F)CC2CC2)Cc2ccccc2C(=O)O1 FC(F)(F)[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)N(CC[*:1])CC1CC1
C[C@@]1(C(=O)N(CCC(F)(F)F)CC2CC2)Cc2ccccc2C(=O)O1 C1CC1C[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)N(CCC(F)(F)F)[*:1]
C[C@@]1(C(=O)N(CCC(F)(F)F)CC2CC2)Cc2ccccc2C(=O)O1 FC(F)(F)C[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)N(CC1CC1)C[*:1]
C[C@@]1(C(=O)N(CCC(F)(F)F)CC2CC2)Cc2ccccc2C(=O)O1 FC(F)(F)CC[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)N(CC1CC1)[*:1]
CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)/C=C/c1ccncc1 c1cc(ccn1)[*:1] CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)C=C[*:1]
Cc1ccc(C(=O)COc2cccc(S(C)(=O)=O)c2)s1 Cc1ccc(s1)[*:1] CS(=O)(=O)c1cccc(c1)OCC(=O)[*:1]
Cc1ccc(C(=O)COc2cccc(S(C)(=O)=O)c2)s1 CS(=O)(=O)[*:1] Cc1ccc(s1)C(=O)COc1cccc(c1)[*:1]
COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 COc1ccc(cc1)[*:1] CC1(C)N=C(C(=O)N1CC(=O)Nc1ccc2OCOc2c1)[*:1]
COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)C1=NC(C)(C)N(CC(=O)N[*:1])C1=O
Cc1cccc(-c2noc(CN3CCN([C@H](C)C(N)=O)CC3)n2)c1 NC(=O)[*:1] Cc1cccc(c1)-c1noc(CN2CCN(CC2)[C@H](C)[*:1])n1
Cc1cccc(-c2noc(CN3CCN([C@H](C)C(N)=O)CC3)n2)c1 C[C@H](C(N)=O)[*:1] Cc1cccc(c1)-c1noc(CN2CCN(CC2)[*:1])n1
Cc1cccc(-c2noc(CN3CCN([C@H](C)C(N)=O)CC3)n2)c1 Cc1cccc(c1)[*:1] C[C@H](C(N)=O)N1CCN(CC1)Cc1nc(no1)[*:1]
CCOc1cccc(/C(N)=N/C(=O)Cc2csc(-c3cccnc3)n2)c1 CCO[*:1] N/C(=N\C(=O)Cc1csc(n1)-c1cccnc1)c1cccc(c1)[*:1]
CCOc1cccc(/C(N)=N/C(=O)Cc2csc(-c3cccnc3)n2)c1 c1cncc(c1)[*:1] CCOc1cccc(c1)/C(N)=N/C(=O)Cc1csc(n1)[*:1]
CN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)C1CCC1 FC(F)(F)[*:1] CN(C(=O)c1cc(ccc1O)NC(=O)OC[*:1])C1CCC1
CN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)C1CCC1 FC(F)(F)C[*:1] CN(C(=O)c1cc(ccc1O)NC(=O)O[*:1])C1CCC1
CN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)C1CCC1 CN(C(=O)[*:1])C1CCC1 O=C(Nc1ccc(O)c(c1)[*:1])OCC(F)(F)F
CN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)C1CCC1 C1CC(C1)[*:1] CN(C(=O)c1cc(ccc1O)NC(=O)OCC(F)(F)F)[*:1]
CCN(CCNC(=O)c1ccc2c(c1)NC(=O)CS2)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(CCNC(=O)c1ccc2SCC(=O)Nc2c1)[*:1]
Nc1ncc(F)c(-c2ccccc2OC(F)(F)F)n1 FC(F)(F)[*:1] Nc1ncc(F)c(n1)-c1ccccc1O[*:1]
Nc1ncc(F)c(-c2ccccc2OC(F)(F)F)n1 FC(F)(F)O[*:1] Nc1ncc(F)c(n1)-c1ccccc1[*:1]
Cc1ccc(-c2[nH]ncc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 Cc1ccc(cc1)[*:1] N#C/C(=C\c1cn[nH]c1[*:1])C(=O)NC1CCCCC1
Cc1ccc(-c2[nH]ncc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)-c1[nH]ncc1/C=C(\C#N)C(=O)N[*:1]
CCCC1CN([C@@H]2[C@@H]([NH3+])[C@H]3CCO[C@@H]32)C1 CCC[*:1] [NH3+][C@H]1[C@H]2CCO[C@@H]2[C@@H]1N1CC(C1)[*:1]
CC1=NN(C(=O)Cn2nc(C)cc2C)[C@@](O)(C(F)(F)F)C1 Cc1cc(C)n(n1)[*:1] CC1C[C@@](O)(N(N=1)C(=O)C[*:1])C(F)(F)F
CC1=NN(C(=O)Cn2nc(C)cc2C)[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CC1C[C@](O)(N(N=1)C(=O)Cn1nc(C)cc1C)[*:1]
CC(C)SCC(=O)N[C@@H](C)c1ccco1 CC(C)S[*:1] C[C@H](NC(=O)C[*:1])c1ccco1
CC(C)SCC(=O)N[C@@H](C)c1ccco1 c1coc(c1)[*:1] CC(C)SCC(=O)N[C@@H](C)[*:1]
CC(C)SCC(=O)N[C@@H](C)c1ccco1 CC(C)[*:1] C[C@H](NC(=O)CS[*:1])c1ccco1
CC(C)SCC(=O)N[C@@H](C)c1ccco1 CC(C)SC[*:1] C[C@H](NC(=O)[*:1])c1ccco1
COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCN(C=O)CC3)n2)cc1 COc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCN(C=O)CC1)n1nc(ccc1=O)[*:1]
CCc1c(C)sc2nc(CC(=O)c3ccccc3F)[nH]c(=O)c12 Fc1ccccc1[*:1] CCc1c(C)sc2nc(CC(=O)[*:1])[nH]c(=O)c12
C[S@](=O)c1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)cc1 Clc1cccc(c1)[*:1] C[S@](=O)c1ccc(cc1)C[NH2+][C@H]1CCN(C1)[*:1]
C[S@](=O)c1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)cc1 C[S@](=O)[*:1] Clc1cccc(c1)N1CC[C@@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)NC(C)(C)C)C1 CC(C)(C)NC(=O)N[*:1] CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](C1)[*:1]
CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)NC(C)(C)C)C1 c1ccc(cc1)[*:1] CC1(C)Cc2c(cnn2[*:1])[C@H](C1)NC(=O)NC(C)(C)C
CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)NC(C)(C)C)C1 CC(C)(C)[*:1] CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](C1)NC(=O)N[*:1]
CCCn1c(C)c(C(=O)N(C)Cc2nnc3n2CCC3)c2cc(OC)ccc21 C1Cc2nnc(C[*:1])n2C1 CCCn1c(C)c(C(=O)N(C)[*:1])c2cc(ccc21)OC
CCCn1c(C)c(C(=O)N(C)Cc2nnc3n2CCC3)c2cc(OC)ccc21 CCC[*:1] COc1ccc2c(c1)c(C(=O)N(C)Cc1nnc3CCCn31)c(C)n2[*:1]
CCCn1c(C)c(C(=O)N(C)Cc2nnc3n2CCC3)c2cc(OC)ccc21 C1Cc2nnc(n2C1)[*:1] CCCn1c(C)c(C(=O)N(C)C[*:1])c2cc(ccc21)OC
Cc1ccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12
COCCN(CC(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C CC(C)[*:1] COCCN(C[*:1])C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C
COCCN(CC(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C COC[*:1] CC(C)CN(C[*:1])C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C
COCCN(CC(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] COCCN(CC(C)C)C(=O)N1CC[C@@H]([C@H]1C)[*:1]
COCCN(CC(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C CC(C)C[*:1] COCCN(C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)[*:1]
COCCN(CC(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C COCC[*:1] CC(C)CN(C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)[*:1]
CC[C@@H]1CCC(=O)[C@@H](Cc2cnoc2)C1 c1nocc1[*:1] CC[C@@H]1CCC(=O)[C@H](C1)C[*:1]
CC(=O)C1=C(C)C(C(=O)CSc2nc3ccccc3o2)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)CSc1nc2ccccc2o1
Nc1ccc2oc(CSCCO)nc2c1 OCCS[*:1] Nc1ccc2oc(C[*:1])nc2c1
Nc1ccc2oc(CSCCO)nc2c1 OCC[*:1] Nc1ccc2oc(CS[*:1])nc2c1
Nc1ccc2oc(CSCCO)nc2c1 OCCSC[*:1] Nc1ccc2oc(nc2c1)[*:1]
CCOc1ccc(C2=C[C@@H]([C@H]3NC(c4ccc(OC)cc4)=NO3)N=N2)cc1 CCO[*:1] COc1ccc(cc1)C1=NO[C@H](N1)[C@@H]1C=C(N=N1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=C[C@@H]([C@H]3NC(c4ccc(OC)cc4)=NO3)N=N2)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)C1=C[C@H](N=N1)[C@H]1NC(=NO1)[*:1]
CCOc1ccc(C2=C[C@@H]([C@H]3NC(c4ccc(OC)cc4)=NO3)N=N2)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1)C1=NO[C@H](N1)[C@@H]1C=C(N=N1)[*:1]
COC(=O)c1c(C)cccc1NCc1cc(=O)n2cc(C)ccc2n1 COC(=O)[*:1] Cc1ccc2nc(cc(=O)n2c1)CNc1cccc(C)c1[*:1]
Cc1ccc(OCCNC(=O)CNC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NCC(=O)NCCO[*:1]
Cc1ccc(OCCNC(=O)CNC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)O[*:1] Cc1ccc(cc1)C(=O)NCC(=O)NCC[*:1]
Cc1ccc(OCCNC(=O)CNC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)OCCNC(=O)CNC(=O)[*:1]
O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)Cn1c(=O)[nH]c2ccccc2c1=O)N1CCN(CC1)[*:1]
O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] O=C(Nc1cccc(c1)N1CCCC1=O)c1cccc(c1)[*:1]
O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(Nc1cccc(c1)N1CCCC1=O)c1cccc(c1)C[*:1]
O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)CN1CCCC1=O
Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3COc4ccccc43)C2)no1 Cc1nc(no1)[*:1] O=C([C@@H]1COc2ccccc21)N1CCC[C@H](C1)[*:1]
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCC2([NH+](C)C)CCCCCC2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)C1(CCCCCC1)CNC(=O)CCn1c(n[nH]c1=S)[*:1]
Cc1noc([C@@H]2CCCN(c3cc(C)[nH+]c4ccc(F)cc34)C2)n1 Cc1noc(n1)[*:1] Cc1cc(c2cc(F)ccc2[nH+]1)N1CCC[C@H](C1)[*:1]
O=S(=O)(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)N1CCCCC1 C1CC1[*:1] O=S(=O)(N[C@H](c1ccc2OCCOc2c1)[*:1])N1CCCCC1
O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cnc(s1)[*:1]
O=C(C[C@@H]1SC(CC(=O)N2CCOCC2)=NC1=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1SC(CC(=O)N2CCOCC2)=NC1=O)Nc1ccc(cc1)O[*:1]
O=C(C[C@@H]1SC(CC(=O)N2CCOCC2)=NC1=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(C[C@@H]1SC(CC(=O)N2CCOCC2)=NC1=O)Nc1ccc(cc1)[*:1]
O=C(C[C@@H]1SC(CC(=O)N2CCOCC2)=NC1=O)Nc1ccc(Oc2ccccc2)cc1 O=C(N1CCOCC1)[*:1] O=C(C[C@@H]1SC(C[*:1])=NC1=O)Nc1ccc(cc1)Oc1ccccc1
O=C(C[C@@H]1SC(CC(=O)N2CCOCC2)=NC1=O)Nc1ccc(Oc2ccccc2)cc1 O=C(C[*:1])N1CCOCC1 O=C(C[C@@H]1SC(=NC1=O)[*:1])Nc1ccc(cc1)Oc1ccccc1
CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1 CC(C)(C)[*:1] O=C(Nc1ccc2ncccc2c1)[C@@H]1CCCN1C(=O)O[*:1]
O=C(c1cc2cc(Br)ccc2oc1=O)N1CCS[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(c1cc2cc(Br)ccc2oc1=O)N1CCS[C@@H]1[*:1]
O=C(c1cc2cc(Br)ccc2oc1=O)N1CCS[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(c1cc2cc(Br)ccc2oc1=O)N1CCS[C@H]1c1cccc(c1)[*:1]
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC[C@H](c2[nH]cc[nH+]2)C1 Clc1ccc(cc1)C[*:1] Cc1nn(c(C)c1CN1CCC[C@@H](C1)c1[nH]cc[nH+]1)[*:1]
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC[C@H](c2[nH]cc[nH+]2)C1 Clc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CN1CCC[C@@H](C1)c1[nH]cc[nH+]1
CCS[C@H](C)c1noc(CN(C)Cc2cnc3cnccn23)n1 CCS[*:1] C[C@H](c1noc(CN(C)Cc2cnc3cnccn23)n1)[*:1]
CCn1c(-c2cccc(C)c2)nn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1=S c1ccc(cc1)[*:1] CCn1c(nn(CN2CCN(CC2)S(=O)(=O)[*:1])c1=S)-c1cccc(C)c1
CCn1c(-c2cccc(C)c2)nn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1=S Cc1cccc(c1)[*:1] CCn1c(nn(CN2CCN(CC2)S(=O)(=O)c2ccccc2)c1=S)[*:1]
NC(=O)c1ccc(C(=O)Oc2cc(F)cc(Br)c2)cn1 NC(=O)[*:1] O=C(Oc1cc(F)cc(Br)c1)c1ccc(nc1)[*:1]
COc1cc2c(cc1OC)CN(C(=O)CCCNC(C)=O)CC2 CC(=O)NC[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CC[*:1]
COc1cc2c(cc1OC)CN(C(=O)CCCNC(C)=O)CC2 CC(=O)NCCC[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)[*:1]
COc1cc2c(cc1OC)CN(C(=O)CCCNC(C)=O)CC2 CC(=O)NCC[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)C[*:1]
COc1cc2c(cc1OC)CN(C(=O)CCCNC(C)=O)CC2 CC(=O)N[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CCC[*:1]
CCOc1ccc(CN2C[C@H]([NH+](C)C)C[C@H]2C(=O)OC)cc1Cl CCO[*:1] COC(=O)[C@@H]1C[C@H](CN1Cc1ccc(c(Cl)c1)[*:1])[NH+](C)C
CCOc1ccc(CN2C[C@H]([NH+](C)C)C[C@H]2C(=O)OC)cc1Cl COC(=O)[*:1] CCOc1ccc(cc1Cl)CN1C[C@@H](C[C@@H]1[*:1])[NH+](C)C
CN(C1CC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 C1CC1[*:1] CN(S(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(C1CC1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
Cc1cnc(C(=O)N2CCN(Cc3cccc(-c4noc(-c5cccnc5)n4)c3)CC2)cn1 Cc1cnc(cn1)[*:1] O=C(N1CCN(CC1)Cc1cccc(c1)-c1noc(n1)-c1cccnc1)[*:1]
Cc1cnc(C(=O)N2CCN(Cc3cccc(-c4noc(-c5cccnc5)n4)c3)CC2)cn1 c1cncc(c1)-c1nc(no1)[*:1] Cc1cnc(cn1)C(=O)N1CCN(CC1)Cc1cccc(c1)[*:1]
Cc1cnc(C(=O)N2CCN(Cc3cccc(-c4noc(-c5cccnc5)n4)c3)CC2)cn1 c1cncc(c1)[*:1] Cc1cnc(cn1)C(=O)N1CCN(CC1)Cc1cccc(c1)-c1noc(n1)[*:1]
CCc1nc(CCNC(=O)N[C@@H](CC)c2cc(F)ccc2F)cs1 CCc1nc(cs1)C[*:1] CC[C@H](NC(=O)NC[*:1])c1cc(F)ccc1F
CCc1nc(CCNC(=O)N[C@@H](CC)c2cc(F)ccc2F)cs1 CCc1nc(cs1)[*:1] CC[C@H](NC(=O)NCC[*:1])c1cc(F)ccc1F
CCc1nc(CCNC(=O)N[C@@H](CC)c2cc(F)ccc2F)cs1 Fc1ccc(F)c(c1)[*:1] CCc1nc(cs1)CCNC(=O)N[C@@H](CC)[*:1]
CCc1cccc(NC(=O)[C@@H](C)Sc2ccccn2)c1 c1ccc(nc1)[*:1] CCc1cccc(c1)NC(=O)[C@@H](C)S[*:1]
Cc1ccc(OCCCNC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1 Cc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCCCO[*:1]
Cc1ccc(OCCCNC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1 Cc1ccc(cc1)O[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCCC[*:1]
Cc1ccc(OCCCNC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1 Cc1n[nH]c(C)c1[*:1] Cc1ccc(cc1)OCCCNC(=O)N1CCC[C@@H]1[*:1]
Cc1cc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)sc1C Cc1cc(sc1C)[*:1] C[C@]1(NC(=O)NC1=O)C1CCN(CC1)C(=O)[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 C1CC1[*:1] O=C(N[C@@H](c1ccccc1)[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1
O=C(N[C@@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 c1ccc(cc1)[*:1] O=C(N[C@@H](C1CC1)[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1
O=C(N[C@@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)C[NH2+]CCn1ccc2c(Cl)cccc21 CC(C)[*:1] Clc1cccc2c1ccn2CC[NH2+]C[*:1]
CC(C)C[NH2+]CCn1ccc2c(Cl)cccc21 CC(C)C[*:1] Clc1cccc2c1ccn2CC[NH2+][*:1]
COCCCC(=O)N1CCN(C[C@H](C)O)CC1 COCCC[*:1] C[C@H](O)CN1CCN(CC1)C(=O)[*:1]
COCCCC(=O)N1CCN(C[C@H](C)O)CC1 C[C@H](O)[*:1] COCCCC(=O)N1CCN(CC1)C[*:1]
COCCCC(=O)N1CCN(C[C@H](C)O)CC1 COC[*:1] C[C@H](O)CN1CCN(CC1)C(=O)CC[*:1]
COCCCC(=O)N1CCN(C[C@H](C)O)CC1 C[C@H](O)C[*:1] COCCCC(=O)N1CCN(CC1)[*:1]
COCCCC(=O)N1CCN(C[C@H](C)O)CC1 COCC[*:1] C[C@H](O)CN1CCN(CC1)C(=O)C[*:1]
Cc1ccccc1Cn1cc(C(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)nn1 c1ccc(cc1)C[*:1] Cc1ccccc1Cn1cc(nn1)C(=O)N1CCC(CC1)[C@H](O)C[*:1]
Cc1ccccc1Cn1cc(C(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)nn1 Cc1ccccc1[*:1] O=C(c1cn(C[*:1])nn1)N1CCC(CC1)[C@H](O)CCc1ccccc1
Cc1ccccc1Cn1cc(C(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)nn1 O[C@H](CCc1ccccc1)[*:1] Cc1ccccc1Cn1cc(nn1)C(=O)N1CCC(CC1)[*:1]
Cc1ccccc1Cn1cc(C(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)nn1 Cc1ccccc1C[*:1] O=C(c1cn(nn1)[*:1])N1CCC(CC1)[C@H](O)CCc1ccccc1
Cc1ccccc1Cn1cc(C(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)nn1 c1ccc(cc1)[*:1] Cc1ccccc1Cn1cc(nn1)C(=O)N1CCC(CC1)[C@H](O)CC[*:1]
Cc1ccccc1Cn1cc(C(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)nn1 c1ccc(cc1)CC[*:1] Cc1ccccc1Cn1cc(nn1)C(=O)N1CCC(CC1)[C@H](O)[*:1]
COc1ccc(-c2nnc3sc(NC(=O)COc4cc(C)cc(C)c4)nn23)cc1OC Cc1cc(C)cc(c1)OC[*:1] COc1ccc(cc1OC)-c1nnc2sc(nn12)NC(=O)[*:1]
COc1ccc(-c2nnc3sc(NC(=O)COc4cc(C)cc(C)c4)nn23)cc1OC Cc1cc(C)cc(c1)O[*:1] COc1ccc(cc1OC)-c1nnc2sc(nn12)NC(=O)C[*:1]
COc1ccc(-c2nnc3sc(NC(=O)COc4cc(C)cc(C)c4)nn23)cc1OC Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1OC)-c1nnc2sc(nn12)NC(=O)CO[*:1]
COc1ccc(-c2nnc3sc(NC(=O)COc4cc(C)cc(C)c4)nn23)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1nn2c(nnc2s1)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 COC(=O)[*:1] Cc1cc2OC(N)=C([C@H](c3cccc(c3)[N+](=O)[O-])c2c(=O)n1CCc1ccccc1)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 c1ccc(cc1)CC[*:1] COC(=O)C1=C(N)Oc2cc(C)n(c(=O)c2[C@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] COC(=O)C1=C(N)Oc2cc(C)n(C[*:1])c(=O)c2[C@H]1c1cccc(c1)[N+](=O)[O-]
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1cccc(c1)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] COC(=O)C1=C(N)Oc2cc(C)n(CC[*:1])c(=O)c2[C@H]1c1cccc(c1)[N+](=O)[O-]
Cc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])c(-c2nc3ccccc3s2)c1 O=C([O-])CO[*:1] Cc1ccccc1C(=O)Nc1ccc(c(c1)-c1nc2ccccc2s1)[*:1]
Cc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])c(-c2nc3ccccc3s2)c1 c1ccc2sc(nc2c1)[*:1] Cc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])c(c1)[*:1]
Cc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])c(-c2nc3ccccc3s2)c1 O=C([O-])[*:1] Cc1ccccc1C(=O)Nc1ccc(OC[*:1])c(c1)-c1nc2ccccc2s1
Cc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])c(-c2nc3ccccc3s2)c1 Cc1ccccc1[*:1] O=C([O-])COc1ccc(cc1-c1nc2ccccc2s1)NC(=O)[*:1]
Cc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])c(-c2nc3ccccc3s2)c1 Cc1ccccc1C(=O)N[*:1] O=C([O-])COc1ccc(cc1-c1nc2ccccc2s1)[*:1]
Cc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])c(-c2nc3ccccc3s2)c1 O=C([O-])C[*:1] Cc1ccccc1C(=O)Nc1ccc(O[*:1])c(c1)-c1nc2ccccc2s1
O=C(Nc1ccccc1Br)C(=O)N[C@H]1C[C@H]1C1CCCCC1 Brc1ccccc1[*:1] O=C(N[C@H]1C[C@H]1C1CCCCC1)C(=O)N[*:1]
O=C(Nc1ccccc1Br)C(=O)N[C@H]1C[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccccc1Br)C(=O)N[C@H]1C[C@@H]1[*:1]
NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 NC(=O)[*:1] Clc1ccc(C[NH+]2CCC(CC2)[*:1])s1
Nc1c(C(=O)c2cccs2)sc2nsc(SCC[NH+]3CCCCC3)c12 c1csc(c1)[*:1] Nc1c(sc2nsc(SCC[NH+]3CCCCC3)c12)C(=O)[*:1]
Nc1c(C(=O)c2cccs2)sc2nsc(SCC[NH+]3CCCCC3)c12 O=C(c1cccs1)[*:1] Nc1c(sc2nsc(SCC[NH+]3CCCCC3)c12)[*:1]
CC(C)(C)C(=O)NNC(=O)CSCc1ccc(Cl)cc1 CC(C)(C)[*:1] O=C(CSCc1ccc(Cl)cc1)NNC(=O)[*:1]
Cc1cc2nc(SCC(=O)N3CCN(c4ccccc4F)CC3)n(CCC(C)C)c(=O)c2[nH]1 Fc1ccccc1[*:1] Cc1cc2nc(SCC(=O)N3CCN(CC3)[*:1])n(CCC(C)C)c(=O)c2[nH]1
Cc1cc2nc(SCC(=O)N3CCN(c4ccccc4F)CC3)n(CCC(C)C)c(=O)c2[nH]1 CC(C)CC[*:1] Cc1cc2nc(SCC(=O)N3CCN(CC3)c3ccccc3F)n(c(=O)c2[nH]1)[*:1]
Cc1cc2nc(SCC(=O)N3CCN(c4ccccc4F)CC3)n(CCC(C)C)c(=O)c2[nH]1 CC(C)[*:1] Cc1cc2nc(SCC(=O)N3CCN(CC3)c3ccccc3F)n(CC[*:1])c(=O)c2[nH]1
Cc1cc2nc(SCC(=O)N3CCN(c4ccccc4F)CC3)n(CCC(C)C)c(=O)c2[nH]1 CC(C)C[*:1] Cc1cc2nc(SCC(=O)N3CCN(CC3)c3ccccc3F)n(C[*:1])c(=O)c2[nH]1
Cc1nc(C(=O)[O-])nn1-c1cccc(C(F)(F)F)c1 O=C([O-])[*:1] Cc1nc(nn1-c1cccc(c1)C(F)(F)F)[*:1]
Cc1nc(C(=O)[O-])nn1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1nc(nn1-c1cccc(c1)[*:1])C(=O)[O-]
COCc1ccccc1C(=O)Nc1cccc2ccccc12 COC[*:1] O=C(Nc1cccc2ccccc12)c1ccccc1[*:1]
COc1ccc(C(=O)Nc2cccc(-c3ccc(OC)nn3)c2)cc1 COc1ccc(nn1)[*:1] COc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(C(=O)Nc2cccc(-c3ccc(OC)nn3)c2)cc1 COc1ccc(cc1)[*:1] COc1ccc(nn1)-c1cccc(c1)NC(=O)[*:1]
CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 CCOC(=O)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1cc(Cl)ccc1Cl
Cc1cccc2[nH]cc(CCNC(=O)N3CC[C@@](O)(C(F)(F)F)C3)c12 FC(F)(F)[*:1] Cc1cccc2[nH]cc(CCNC(=O)N3CC[C@@](O)(C3)[*:1])c12
CCOC(=O)C[NH2+][C@@H]1CCOC2(CCC2)C1 CCOC(=O)[*:1] C1CC2(C1)C[C@@H](CCO2)[NH2+]C[*:1]
Cc1ccsc1[C@@H](O)[C@@]1(C#N)CCOc2ccccc21 Cc1ccsc1[*:1] N#C[C@@]1(CCOc2ccccc21)[C@H](O)[*:1]
Clc1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cc2c1OCCO2 c1ccc(cc1)[*:1] Clc1cc(cc2OCCOc12)C[NH2+]C[C@@H]1CN(CCO1)C[*:1]
Clc1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cc2c1OCCO2 c1ccc(cc1)C[*:1] Clc1cc(cc2OCCOc12)C[NH2+]C[C@@H]1CN(CCO1)[*:1]
CCc1cc(=O)[nH]c(-c2ccc(N3CCN(C)c4ccccc4C3)nc2)n1 CCc1cc(=O)[nH]c(n1)[*:1] CN1CCN(Cc2ccccc21)c1ccc(cn1)[*:1]
Cc1nc(C)c(-c2nn3c(-c4ccc(Cl)cc4F)nnc3s2)s1 Cc1nc(C)c(s1)[*:1] Fc1cc(Cl)ccc1-c1nnc2sc(nn12)[*:1]
Cc1nn(C)c(Cl)c1CS[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn(C)c(Cl)c1CS[C@@H](C)C(=O)N[C@H](C)[*:1]
Cc1nn(C)c(Cl)c1CS[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 Cc1nn(C)c(Cl)c1[*:1] C[C@H](SC[*:1])C(=O)N[C@H](C)c1ccc(Cl)cc1
C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(OC)ccc1OC Fc1ccc(cc1)C[*:1] C#CCN(S(=O)(=O)c1cc(ccc1OC)OC)[*:1]
C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(OC)ccc1OC C#CC[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N(Cc1ccc(F)cc1)[*:1]
C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(OC)ccc1OC Fc1ccc(cc1)[*:1] C#CCN(C[*:1])S(=O)(=O)c1cc(ccc1OC)OC
Cc1cccc(C(=O)NNC(=O)Cn2ccc3ccccc32)c1 Cc1cccc(c1)[*:1] O=C(Cn1ccc2ccccc21)NNC(=O)[*:1]
Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 Cc1cccc(c1)[*:1] O=C1C[C@@H](CN1[*:1])c1nc2ccccc2n1Cc1ccccc1
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCSCC2)C1 CC[S@@](=O)[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])N1CCSCC1
CC(C)[NH+]1CCC(NC(=O)CSc2ccccc2)CC1 CC(C)[*:1] O=C(CSc1ccccc1)NC1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCC(NC(=O)CSc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[NH+]1CCC(CC1)NC(=O)CS[*:1]
Cc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1nc2ccc(Cl)cc2s1
Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)[*:1]
Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2cc(CN(C(=O)c3ccco3)[*:1])c(=O)[nH]c2c1
CN(C)C(=O)C1CCN(C(=O)NCc2cn(-c3ccccc3)nn2)CC1 CN(C)C(=O)[*:1] O=C(NCc1cn(nn1)-c1ccccc1)N1CCC(CC1)[*:1]
CN(C)C(=O)C1CCN(C(=O)NCc2cn(-c3ccccc3)nn2)CC1 c1ccc(cc1)[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)NCc1cn(nn1)[*:1]
CCC[C@@H]1CCCN(C(=O)NCC(=O)Nc2ccc(OCC)cc2)CC1 CCO[*:1] CCC[C@@H]1CCCN(CC1)C(=O)NCC(=O)Nc1ccc(cc1)[*:1]
CCC[C@@H]1CCCN(C(=O)NCC(=O)Nc2ccc(OCC)cc2)CC1 CCC[*:1] CCOc1ccc(cc1)NC(=O)CNC(=O)N1CCC[C@H](CC1)[*:1]
CO[C@H]1CCC[C@@H](OC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C1 O=C1NCCN1[*:1] CO[C@H]1CCC[C@H](C1)OC(=O)c1ccc(Cl)c(c1)[*:1]
COCc1cc(C[NH2+][C@@H](C)c2cnc(C)s2)ccc1F Cc1ncc(s1)[*:1] COCc1cc(ccc1F)C[NH2+][C@@H](C)[*:1]
COCc1cc(C[NH2+][C@@H](C)c2cnc(C)s2)ccc1F COC[*:1] Cc1ncc(s1)[C@H](C)[NH2+]Cc1ccc(F)c(c1)[*:1]
O=C(Cn1cc(SCc2ccc(F)cc2)c2ccccc21)N1CCCC1 Fc1ccc(cc1)C[*:1] O=C(Cn1cc(S[*:1])c2ccccc21)N1CCCC1
O=C(Cn1cc(SCc2ccc(F)cc2)c2ccccc21)N1CCCC1 O=C(C[*:1])N1CCCC1 Fc1ccc(cc1)CSc1cn(c2ccccc12)[*:1]
O=C(Cn1cc(SCc2ccc(F)cc2)c2ccccc21)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(Cn1cc(SC[*:1])c2ccccc21)N1CCCC1
O=C(Cn1cc(SCc2ccc(F)cc2)c2ccccc21)N1CCCC1 O=C(N1CCCC1)[*:1] Fc1ccc(cc1)CSc1cn(C[*:1])c2ccccc12
CCN(Cc1ccccn1)Cc1cc2ccccc2s1 c1ccc(nc1)[*:1] CCN(Cc1cc2ccccc2s1)C[*:1]
Cn1c(C2=C(N)N(C[C@@H](O)C3CCOCC3)CC2=O)[n+](C)c2ccccc21 C1CC(CCO1)[*:1] Cn1c(C2C(=O)CN(C[C@@H](O)[*:1])C=2N)[n+](C)c2ccccc21
CNC(=O)CC1CCN(C(=O)N[C@@H](c2ccccn2)C(C)C)CC1 CC(C)[*:1] CNC(=O)CC1CCN(CC1)C(=O)N[C@@H](c1ccccn1)[*:1]
CNC(=O)CC1CCN(C(=O)N[C@@H](c2ccccn2)C(C)C)CC1 c1ccc(nc1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)N[C@@H](C(C)C)[*:1]
CNC(=O)CC1CCN(C(=O)N[C@@H](c2ccccn2)C(C)C)CC1 CNC(=O)C[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccccn1
CNC(=O)CC1CCN(C(=O)N[C@@H](c2ccccn2)C(C)C)CC1 CNC(=O)[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)C[*:1])c1ccccn1
O=C(Nc1ccncc1)c1cn(Cc2ccccc2)c2ncccc12 c1ccc(cc1)[*:1] O=C(Nc1ccncc1)c1cn(C[*:1])c2ncccc12
O=C(Nc1ccncc1)c1cn(Cc2ccccc2)c2ncccc12 c1cc(ccn1)[*:1] O=C(N[*:1])c1cn(Cc2ccccc2)c2ncccc12
O=C(Nc1ccncc1)c1cn(Cc2ccccc2)c2ncccc12 c1ccc(cc1)C[*:1] O=C(Nc1ccncc1)c1cn(c2ncccc12)[*:1]
CC(C)CNC(=O)C[NH2+]C1C(C)(C)C1(C)C CC(C)C[*:1] CC1(C)C([NH2+]CC(=O)N[*:1])C1(C)C
CC(C)CNC(=O)C[NH2+]C1C(C)(C)C1(C)C CC(C)[*:1] CC1(C)C([NH2+]CC(=O)NC[*:1])C1(C)C
Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3cccc(C(=O)NCC(F)(F)F)c3)c12 FC(F)(F)C[*:1] Cc1noc2nc(cc(C(=O)Nc3cccc(c3)C(=O)N[*:1])c12)-c1cccs1
Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3cccc(C(=O)NCC(F)(F)F)c3)c12 O=C(NCC(F)(F)F)[*:1] Cc1noc2nc(cc(C(=O)Nc3cccc(c3)[*:1])c12)-c1cccs1
Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3cccc(C(=O)NCC(F)(F)F)c3)c12 FC(F)(F)[*:1] Cc1noc2nc(cc(C(=O)Nc3cccc(c3)C(=O)NC[*:1])c12)-c1cccs1
Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3cccc(C(=O)NCC(F)(F)F)c3)c12 c1csc(c1)[*:1] Cc1noc2nc(cc(C(=O)Nc3cccc(c3)C(=O)NCC(F)(F)F)c12)[*:1]
C[C@@H](Nc1ccc(C#N)c(N)c1)c1cccs1 c1csc(c1)[*:1] C[C@@H](Nc1ccc(C#N)c(N)c1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cccc(NC(C)=O)c2)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)c1cccc(c1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cccc(NC(C)=O)c2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)C(=O)N[C@H](C)[C@H](O)[*:1]
CC1=NN(c2ccc(C(=O)N3CC[NH+](Cc4ccco4)CC3)cc2)CC1 c1coc(c1)C[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N1CC[NH+](CC1)[*:1]
CC1=NN(c2ccc(C(=O)N3CC[NH+](Cc4ccco4)CC3)cc2)CC1 c1coc(c1)[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N1CC[NH+](CC1)C[*:1]
O=C(NCC1(O)CCOCC1)c1ccc(CSC(F)F)o1 FC(F)SC[*:1] O=C(NCC1(O)CCOCC1)c1ccc(o1)[*:1]
O=C(NCC1(O)CCOCC1)c1ccc(CSC(F)F)o1 FC(F)[*:1] O=C(NCC1(O)CCOCC1)c1ccc(CS[*:1])o1
O=C(NCC1(O)CCOCC1)c1ccc(CSC(F)F)o1 OC1(CCOCC1)[*:1] O=C(NC[*:1])c1ccc(CSC(F)F)o1
O=C(NCC1(O)CCOCC1)c1ccc(CSC(F)F)o1 FC(F)S[*:1] O=C(NCC1(O)CCOCC1)c1ccc(C[*:1])o1
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O CC(C)[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)N[C@H]1CCCC[C@H]1OCC[*:1]
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O CC(C)C[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)N[C@H]1CCCC[C@H]1OC[*:1]
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O CC(C)CC[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)N[C@H]1CCCC[C@H]1O[*:1]
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc2c(cnn2C)c1=O CC(C)CCO[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)N[C@H]1CCCC[C@H]1[*:1]
CCN(Cc1cccs1)C[C@@H](CS)c1ccccc1 c1csc(c1)C[*:1] CCN(C[C@@H](CS)c1ccccc1)[*:1]
CCN(Cc1cccs1)C[C@@H](CS)c1ccccc1 c1csc(c1)[*:1] CCN(C[C@@H](CS)c1ccccc1)C[*:1]
CCN(Cc1cccs1)C[C@@H](CS)c1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1cccs1)C[C@@H](CS)[*:1]
O=C(CSc1ccc(C(=O)N2CCCC2)cn1)N1CCc2ccccc2C1 O=C(N1CCCC1)[*:1] O=C(CSc1ccc(cn1)[*:1])N1CCc2ccccc2C1
COc1ccc(-c2c(C)n[nH]c2NC(=O)C2CCCCC2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)-c1c(C)n[nH]c1NC(=O)[*:1]
Cc1nn(C)c(=O)c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1C O=C([O-])[*:1] Cc1nn(C)c(=O)c(C(=O)N2CC[C@@H]([C@@H]2C)[*:1])c1C
O=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C1S/C(=C/c2ccc(o2)-c2ccccc2Cl)C(=O)N1[*:1]
O=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1ccc(O)cc1 Clc1ccccc1[*:1] O=C1S/C(=C/c2ccc(o2)[*:1])C(=O)N1c1ccc(O)cc1
Cc1ccc(NC(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@H](OC(=O)CN1C(=O)N[C@](C)(C1=O)C1CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 C1CC1[*:1] Cc1ccc(cc1)NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CCc1ccccc1NC(=O)[C@H](C#N)Cc1cccnc1 c1cncc(c1)C[*:1] CCc1ccccc1NC(=O)[C@H](C#N)[*:1]
CCc1ccccc1NC(=O)[C@H](C#N)Cc1cccnc1 c1cncc(c1)[*:1] CCc1ccccc1NC(=O)[C@H](C#N)C[*:1]
COc1cccc(NC(=O)c2nccnc2C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)NC(=O)c1nccnc1[*:1]
CCCCCNC(=O)Nc1ccnc(C(=O)N(C)C)c1 CCC[*:1] CN(C)C(=O)c1cc(ccn1)NC(=O)NCC[*:1]
CCCCCNC(=O)Nc1ccnc(C(=O)N(C)C)c1 CCCCC[*:1] CN(C)C(=O)c1cc(ccn1)NC(=O)N[*:1]
CCCCCNC(=O)Nc1ccnc(C(=O)N(C)C)c1 CCCC[*:1] CN(C)C(=O)c1cc(ccn1)NC(=O)NC[*:1]
CCCCCNC(=O)Nc1ccnc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCCCCNC(=O)Nc1ccnc(c1)[*:1]
N#Cc1c[nH]nc1[N-]S(=O)(=O)C(F)F FC(F)[*:1] N#Cc1c[nH]nc1[N-]S(=O)(=O)[*:1]
Cc1noc(C)c1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1noc(C)c1N(C)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 Cc1noc(C)c1[*:1] CN(S(=O)(=O)c1ccc(cc1)C(F)(F)F)[*:1]
C[C@@H]1CN(Cc2ccc(C3CC3)cc2)[C@H](C)C[NH2+]1 C1CC1[*:1] C[C@@H]1CN(Cc2ccc(cc2)[*:1])[C@H](C)C[NH2+]1
Cc1cccc(Oc2ccccc2NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1O[*:1]
Cc1cccc(Oc2ccccc2NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 Cc1cccc(c1)O[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1[*:1]
CCOC(=O)[C@@](C)(NC(=O)c1cnn2cc(Br)cnc12)C(C)C CCOC(=O)[*:1] CC(C)[C@@](C)(NC(=O)c1cnn2cc(Br)cnc12)[*:1]
CCOC(=O)[C@@](C)(NC(=O)c1cnn2cc(Br)cnc12)C(C)C CC(C)[*:1] CCOC(=O)[C@@](C)(NC(=O)c1cnn2cc(Br)cnc12)[*:1]
CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cc(C#N)cs1)C1CC1 C1CC1[*:1] CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cc(C#N)cs1)[*:1]
CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cc(C#N)cs1)C1CC1 N#Cc1csc(c1)[*:1] CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)[*:1])C1CC1
CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cc(C#N)cs1)C1CC1 CC(C)(C)OC(=O)N[*:1] C[C@](C[*:1])(NC(=O)c1cc(C#N)cs1)C1CC1
CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cc(C#N)cs1)C1CC1 CC(C)(C)[*:1] C[C@](CNC(=O)O[*:1])(NC(=O)c1cc(C#N)cs1)C1CC1
CC(C)OC(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl CC(C)[*:1] Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)O[*:1])c1Cl
CC(C)OC(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl CC(C)OC(=O)[*:1] Nc1c(Cl)c(Cl)nc(C(=O)OC[*:1])c1Cl
CC(=O)c1ccc(OCC(=O)Nc2ccc(OC(F)F)c(F)c2)cc1 FC(F)[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1ccc(O[*:1])c(F)c1
CC(=O)c1ccc(OCC(=O)Nc2ccc(OC(F)F)c(F)c2)cc1 FC(F)O[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1ccc(c(F)c1)[*:1]
CC(=O)c1ccc(OCC(=O)Nc2ccc(OC(F)F)c(F)c2)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccc(OC(F)F)c(F)c1
O=C(NCCc1ccccc1Cl)N[C@H](CO)c1ccco1 Clc1ccccc1[*:1] O=C(NCC[*:1])N[C@H](CO)c1ccco1
O=C(NCCc1ccccc1Cl)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(NCCc1ccccc1Cl)N[C@H](CO)[*:1]
O=C(CN1CCO[C@@H](c2cccc(F)c2)C1)N1CCCCCCC1 Fc1cccc(c1)[*:1] O=C(CN1CCO[C@@H](C1)[*:1])N1CCCCCCC1
C[C@H]1CC[C@@H](C)N(C(=O)c2ccc(OCc3cscn3)cc2)C1 c1nc(cs1)C[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(cc1)O[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)c2ccc(OCc3cscn3)cc2)C1 c1nc(cs1)CO[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(cc1)[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)c2ccc(OCc3cscn3)cc2)C1 c1nc(cs1)[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(cc1)OC[*:1]
C[C@@H](C[NH2+]Cc1cn(C)nc1C(C)(C)C)Sc1ccccc1 c1ccc(cc1)S[*:1] C[C@@H](C[NH2+]Cc1cn(C)nc1C(C)(C)C)[*:1]
C[C@@H](C[NH2+]Cc1cn(C)nc1C(C)(C)C)Sc1ccccc1 CC(C)(C)[*:1] C[C@@H](C[NH2+]Cc1cn(C)nc1[*:1])Sc1ccccc1
C[C@@H](C[NH2+]Cc1cn(C)nc1C(C)(C)C)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C[NH2+]Cc1cn(C)nc1C(C)(C)C)S[*:1]
C[C@H]1OCC[C@@H]1C(=O)NCCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@H]1OCC[C@@H]1C(=O)NCCc1ccc(cc1)[*:1]
CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCOC2)c1 CC[C@@H](C)[*:1] O=C(Nc1cccc(c1)CS(=O)(=O)N[*:1])[C@H]1CCOC1
CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCOC2)c1 C1C[C@@H](CO1)[*:1] CC[C@@H](C)NS(=O)(=O)Cc1cccc(c1)NC(=O)[*:1]
CCOc1cc(C)ccc1NC(=O)CN1C(=O)c2ccc(C)cc2C1=O CCO[*:1] Cc1ccc2C(=O)N(CC(=O)Nc3ccc(C)cc3[*:1])C(=O)c2c1
Cc1csc2[nH+]c(CN(C)[C@H](C)C(C)(C)C)cc(=O)n12 C[C@H](C(C)(C)C)[*:1] Cc1csc2[nH+]c(cc(=O)n12)CN(C)[*:1]
Cc1csc2[nH+]c(CN(C)[C@H](C)C(C)(C)C)cc(=O)n12 CC(C)(C)[*:1] Cc1csc2[nH+]c(cc(=O)n12)CN(C)[C@H](C)[*:1]
Cc1nc(CC(C)C)sc1C(=O)N(c1ccc(C#N)cc1)C1CC1 CC(C)C[*:1] Cc1nc(sc1C(=O)N(c1ccc(C#N)cc1)C1CC1)[*:1]
Cc1nc(CC(C)C)sc1C(=O)N(c1ccc(C#N)cc1)C1CC1 CC(C)[*:1] Cc1nc(C[*:1])sc1C(=O)N(c1ccc(C#N)cc1)C1CC1
Cc1nc(CC(C)C)sc1C(=O)N(c1ccc(C#N)cc1)C1CC1 N#Cc1ccc(cc1)[*:1] Cc1nc(CC(C)C)sc1C(=O)N(C1CC1)[*:1]
Cc1nc(CC(C)C)sc1C(=O)N(c1ccc(C#N)cc1)C1CC1 C1CC1[*:1] Cc1nc(CC(C)C)sc1C(=O)N(c1ccc(C#N)cc1)[*:1]
O=C(CCN1C(=O)COc2ccccc21)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 O=C1COc2ccccc2N1[*:1] O=C(CC[*:1])N1Cc2cc3OCCOc3cc2C2(CCCC2)C1
Cc1ccc(F)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3cccs3)c2)c1 c1csc(c1)[*:1] Cc1ccc(F)c(c1)N1C(=O)CS[C@H]1c1cccc(c1)NC(=O)C[*:1]
Cc1ccc(F)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3cccs3)c2)c1 O=C(Cc1cccs1)N[*:1] Cc1ccc(F)c(c1)N1C(=O)CS[C@H]1c1cccc(c1)[*:1]
Cc1ccc(F)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3cccs3)c2)c1 Cc1ccc(F)c(c1)[*:1] O=C(Cc1cccs1)Nc1cccc(c1)[C@@H]1SCC(=O)N1[*:1]
Cc1ccc(F)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3cccs3)c2)c1 c1csc(c1)C[*:1] Cc1ccc(F)c(c1)N1C(=O)CS[C@H]1c1cccc(c1)NC(=O)[*:1]
C[C@@H]1CC(C(=O)NCCc2nc(C(C)(C)C)cs2)C[C@@H](C)O1 CC(C)(C)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCCc1nc(cs1)[*:1]
CCOc1ccccc1NCC(=O)Nc1ccccc1C(N)=O NC(=O)[*:1] CCOc1ccccc1NCC(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NCC(=O)Nc1ccccc1C(N)=O CCO[*:1] NC(=O)c1ccccc1NC(=O)CNc1ccccc1[*:1]
CCCCN1C(=O)S[C@H](Nc2cccc(C(F)(F)F)c2)C1=O CCC[*:1] O=C1S[C@H](Nc2cccc(c2)C(F)(F)F)C(=O)N1C[*:1]
CCCCN1C(=O)S[C@H](Nc2cccc(C(F)(F)F)c2)C1=O CCCC[*:1] O=C1S[C@H](Nc2cccc(c2)C(F)(F)F)C(=O)N1[*:1]
CCCCN1C(=O)S[C@H](Nc2cccc(C(F)(F)F)c2)C1=O FC(F)(F)[*:1] CCCCN1C(=O)S[C@H](Nc2cccc(c2)[*:1])C1=O
CC[C@H](C#N)OC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 CC[C@H](C#N)[*:1] C[C@@H](C(=O)O[*:1])c1ccc(Cl)c(Cl)c1
CCN(C[C@@H](C)C#N)C(=O)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] CCN(C[C@@H](C)C#N)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C(CO)(CO)Cc2ccc(F)cc2Cl)cc1 Cc1ccc(cc1)[*:1] OCC(CO)(Cc1ccc(F)cc1Cl)[*:1]
C[C@H](CNC(=O)c1ccc2c([O-])n(C)c(=S)nc2c1)S(N)(=O)=O NS(=O)(=O)[*:1] C[C@H](CNC(=O)c1ccc2c([O-])n(C)c(=S)nc2c1)[*:1]
C[C@H](CNC(=O)c1ccc2c([O-])n(C)c(=S)nc2c1)S(N)(=O)=O C[C@H](C[*:1])S(N)(=O)=O Cn1c([O-])c2ccc(cc2nc1=S)C(=O)N[*:1]
CC(C)(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1cccs1 c1cncc(c1)C[*:1] CC(C)(C)[C@H](NC(=O)N(C[C@@H]1CCCO1)[*:1])c1cccs1
CC(C)(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)[*:1]
CC(C)(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1cccs1 C1CO[C@@H](C1)[*:1] CC(C)(C)[C@H](NC(=O)N(Cc1cccnc1)C[*:1])c1cccs1
CC(C)(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1cccs1 CC(C)(C)[*:1] O=C(N[C@H](c1cccs1)[*:1])N(Cc1cccnc1)C[C@@H]1CCCO1
CC(C)(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1cccs1 c1cncc(c1)[*:1] CC(C)(C)[C@H](NC(=O)N(C[C@@H]1CCCO1)C[*:1])c1cccs1
CC(C)(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1cccs1 C1CO[C@@H](C1)C[*:1] CC(C)(C)[C@H](NC(=O)N(Cc1cccnc1)[*:1])c1cccs1
O=[N+]([O-])c1cccnc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 O=[N+]([O-])[*:1] c1cnc(c(c1)[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCCC1 FC(F)(F)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccccc1[*:1])N1CCCC1
O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(CC1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2n[nH]c(=O)n2CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](C)Sc1n[nH]c(=O)n1[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2n[nH]c(=O)n2CCc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](C)Sc1n[nH]c(=O)n1CC[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2n[nH]c(=O)n2CCc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](C)Sc1n[nH]c(=O)n1C[*:1]
CC(C)[C@@H]1CN(C(=O)CCc2cccnc2)CCS1 CC(C)[*:1] O=C(CCc1cccnc1)N1CCS[C@@H](C1)[*:1]
CC(C)[C@@H]1CN(C(=O)CCc2cccnc2)CCS1 c1cncc(c1)[*:1] CC(C)[C@@H]1CN(CCS1)C(=O)CC[*:1]
CCSc1ccc(NC(=O)Cc2ccc[nH]2)cn1 c1c[nH]c(c1)C[*:1] CCSc1ccc(cn1)NC(=O)[*:1]
CCSc1ccc(NC(=O)Cc2ccc[nH]2)cn1 CCS[*:1] O=C(Cc1ccc[nH]1)Nc1ccc(nc1)[*:1]
CCSc1ccc(NC(=O)Cc2ccc[nH]2)cn1 c1c[nH]c(c1)[*:1] CCSc1ccc(cn1)NC(=O)C[*:1]
O=C([O-])CC1(NC(=O)c2ccncc2Cl)CCCCC1 O=C([O-])C[*:1] O=C(NC1(CCCCC1)[*:1])c1ccncc1Cl
O=C([O-])CC1(NC(=O)c2ccncc2Cl)CCCCC1 O=C([O-])[*:1] O=C(NC1(CCCCC1)C[*:1])c1ccncc1Cl
O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 Clc1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(Nc1cccc(Cl)c1)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 O=C(Nc1cccc(Cl)c1)[*:1] O=S(=O)(c1ccc(Cl)c(c1)C(F)(F)F)N1CCC(CC1)[*:1]
Cn1cc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@@H]2C(=O)[O-])cn1 Cn1cc(cn1)[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)N[*:1]
Cn1cc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@@H]2C(=O)[O-])cn1 O=C([O-])[*:1] Cn1cc(cn1)NC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1[*:1]
C[C@H]1C[C@H]1C(=O)Nc1nc2cc(C(C)(C)C)ccc2o1 CC(C)(C)[*:1] C[C@H]1C[C@H]1C(=O)Nc1nc2cc(ccc2o1)[*:1]
COc1ccccc1N1CC[C@H](CNC(=O)C(C)(C)CC(C)C)C1 CC(C)C[*:1] COc1ccccc1N1CC[C@H](CNC(=O)C(C)(C)[*:1])C1
COc1ccccc1N1CC[C@H](CNC(=O)C(C)(C)CC(C)C)C1 CC(C)CC(C)(C)[*:1] COc1ccccc1N1CC[C@H](CNC(=O)[*:1])C1
COc1ccccc1N1CC[C@H](CNC(=O)C(C)(C)CC(C)C)C1 COc1ccccc1[*:1] CC(C)CC(C)(C)C(=O)NC[C@H]1CCN(C1)[*:1]
COc1ccccc1N1CC[C@H](CNC(=O)C(C)(C)CC(C)C)C1 CC(C)[*:1] COc1ccccc1N1CC[C@H](CNC(=O)C(C)(C)C[*:1])C1
CCc1cccc(CC)c1NC(=O)C(=O)NCCCO OCC[*:1] CCc1cccc(CC)c1NC(=O)C(=O)NC[*:1]
CCc1cccc(CC)c1NC(=O)C(=O)NCCCO OCCC[*:1] CCc1cccc(CC)c1NC(=O)C(=O)N[*:1]
CCNC(=O)[C@H](C)Sc1cccc(N)c1 CCNC(=O)[*:1] C[C@H](Sc1cccc(N)c1)[*:1]
COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C)s3)CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C[NH+]2CCC(CC2)C(=O)NC[*:1])s1
COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C)s3)CC2)cc1 Cc1ccc(C[*:1])s1 COc1ccc(cc1)CNC(=O)C1CC[NH+](CC1)[*:1]
COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C)s3)CC2)cc1 Cc1ccc(s1)[*:1] COc1ccc(cc1)CNC(=O)C1CC[NH+](CC1)C[*:1]
COc1ccc2c(c1)N(Cc1nc(C)c(C)s1)C(=O)C2=O Cc1nc(sc1C)[*:1] COc1ccc2C(=O)C(=O)N(C[*:1])c2c1
CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCSc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[NH2+][C@@]1(CCC[C@@H]1CCS[*:1])C(=O)[O-]
CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCSc1ccc(C)cc1 O=C([O-])[*:1] CC[NH2+][C@@]1(CCC[C@@H]1CCSc1ccc(C)cc1)[*:1]
C[C@H]1C[C@@H](c2ccccc2)C[C@H]([NH+]2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)C1 O=C(N1CCOCC1)[*:1] C[C@H]1C[C@H](C[C@@H](C1)[NH+]1CCN(CC1)[C@@H](C)[*:1])c1ccccc1
C[C@H]1C[C@@H](c2ccccc2)C[C@H]([NH+]2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](C[C@H](C1)[*:1])[NH+]1CCN(CC1)[C@@H](C)C(=O)N1CCOCC1
CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cccnc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCC(CC1)[NH2+][C@H](C)c1cccnc1)[*:1]
CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cccnc2)CC1)c1ccccc1 c1cncc(c1)[*:1] CC[C@H](C(=O)N1CCC(CC1)[NH2+][C@H](C)[*:1])c1ccccc1
Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCN(CC1)[C@@H](C)C(=O)Nc1ccc2OCCOc2c1
Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc(C(C)C)[nH+]1 c1cc2OCCOc2cc1[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
Cn1cc(C(=O)/C=C/c2ccc(-c3nc4ccccc4s3)o2)cn1 Cn1cc(cn1)[*:1] O=C(/C=C/c1ccc(o1)-c1nc2ccccc2s1)[*:1]
Cn1cc(C(=O)/C=C/c2ccc(-c3nc4ccccc4s3)o2)cn1 Cn1cc(cn1)C(=O)[*:1] C(=C[*:1])c1ccc(o1)-c1nc2ccccc2s1
O=C(COC(=O)c1cccnc1Cl)Nc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] O=C(COC(=O)c1cccnc1Cl)Nc1ncc(cc1Cl)[*:1]
O=C(COC(=O)c1cccnc1Cl)Nc1ncc(C(F)(F)F)cc1Cl Clc1ncccc1[*:1] O=C(COC(=O)[*:1])Nc1ncc(cc1Cl)C(F)(F)F
NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 NC(=O)N1CCC[C@@H]1[*:1] O=C(N[C@@H]1CCCN(C1)c1ccccc1Cl)[*:1]
NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 Clc1ccccc1[*:1] NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(C1)[*:1]
CC(C)OCCOC(=O)C=C1CCSCC1 CC(C)OC[*:1] O=C(C=C1CCSCC1)OC[*:1]
CC(C)OCCOC(=O)C=C1CCSCC1 CC(C)O[*:1] O=C(C=C1CCSCC1)OCC[*:1]
CC(C)OCCOC(=O)C=C1CCSCC1 CC(C)[*:1] O=C(C=C1CCSCC1)OCCO[*:1]
O=C(c1ccccc1F)N1CCS[C@@H]1c1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(c1ccccc1F)N1CCS[C@@H]1c1cccc(c1)OC[*:1]
O=C(c1ccccc1F)N1CCS[C@@H]1c1cccc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] O=C(c1ccccc1F)N1CCS[C@@H]1c1cccc(c1)[*:1]
O=C(c1ccccc1F)N1CCS[C@@H]1c1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(c1ccccc1F)N1CCS[C@@H]1c1cccc(c1)O[*:1]
O=C(c1ccccc1F)N1CCS[C@@H]1c1cccc(OCc2ccccc2)c1 Fc1ccccc1[*:1] O=C(N1CCS[C@@H]1c1cccc(c1)OCc1ccccc1)[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](CNC(=O)C[C@@H]1CCS(=O)(=O)C1)C[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 O=S1(=O)CC[C@H](C1)[*:1] Cc1cc(C)n(C[C@@H](C)CNC(=O)C[*:1])n1
COc1ccccc1C/C(C)=C/C(=O)N[C@H]1CCC[C@H]1n1cc[nH+]c1 COc1ccccc1[*:1] C/C(=C\C(=O)N[C@H]1CCC[C@H]1n1cc[nH+]c1)C[*:1]
Cc1cc(=O)c(C(=O)NO[C@@H]2CCCCO2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)NO[C@@H]1CCCCO1
CC(C)c1[nH+]ccn1CCN1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC(C)c1[nH+]ccn1CCN1CCN(CC1)C(=O)C(C)(C)O[*:1]
CC(C)c1[nH+]ccn1CCN1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 CC(C)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)CCn1cc[nH+]c1[*:1]
CC(C)c1[nH+]ccn1CCN1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)O[*:1] CC(C)c1[nH+]ccn1CCN1CCN(CC1)C(=O)C(C)(C)[*:1]
CC(C)C(=O)N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1 CC(C)[*:1] O=C(N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1)[*:1]
CN(Cc1cccnc1)c1ccc(-c2nc(COc3ccccc3)no2)c[nH+]1 c1cncc(c1)C[*:1] CN(c1ccc(c[nH+]1)-c1nc(COc2ccccc2)no1)[*:1]
CN(Cc1cccnc1)c1ccc(-c2nc(COc3ccccc3)no2)c[nH+]1 CN(Cc1cccnc1)[*:1] c1ccc(cc1)OCc1noc(n1)-c1ccc([nH+]c1)[*:1]
CN(Cc1cccnc1)c1ccc(-c2nc(COc3ccccc3)no2)c[nH+]1 c1ccc(cc1)OC[*:1] CN(Cc1cccnc1)c1ccc(c[nH+]1)-c1nc(no1)[*:1]
CN(Cc1cccnc1)c1ccc(-c2nc(COc3ccccc3)no2)c[nH+]1 c1ccc(cc1)[*:1] CN(Cc1cccnc1)c1ccc(c[nH+]1)-c1nc(CO[*:1])no1
CN(Cc1cccnc1)c1ccc(-c2nc(COc3ccccc3)no2)c[nH+]1 c1ccc(cc1)O[*:1] CN(Cc1cccnc1)c1ccc(c[nH+]1)-c1nc(C[*:1])no1
CN(Cc1cccnc1)c1ccc(-c2nc(COc3ccccc3)no2)c[nH+]1 c1cncc(c1)[*:1] CN(C[*:1])c1ccc(c[nH+]1)-c1nc(COc2ccccc2)no1
Cc1ccc(C)c2sc(NC(=O)c3ccc(Br)o3)nc12 Brc1ccc(o1)[*:1] Cc1ccc(C)c2sc(nc12)NC(=O)[*:1]
CC(=O)NCc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 CC(=O)NC[*:1] O=C(c1ccc(cc1)[*:1])N1CCCC[C@@H](C1)[NH+]1CCCC1
CC(=O)NCc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 CC(=O)N[*:1] O=C(c1ccc(cc1)C[*:1])N1CCCC[C@@H](C1)[NH+]1CCCC1
COc1ccc(-c2csc(NC(=O)CCc3cnn(C)c3)n2)cc1F Cn1cc(cn1)C[*:1] COc1ccc(cc1F)-c1csc(n1)NC(=O)C[*:1]
COc1ccc(-c2csc(NC(=O)CCc3cnn(C)c3)n2)cc1F Cn1cc(cn1)CC[*:1] COc1ccc(cc1F)-c1csc(n1)NC(=O)[*:1]
COc1ccc(-c2csc(NC(=O)CCc3cnn(C)c3)n2)cc1F Cn1cc(cn1)[*:1] COc1ccc(cc1F)-c1csc(n1)NC(=O)CC[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3c(C)cc(C)cc3Cl)cc2C1=O Cc1cc(C)c(c(Cl)c1)[*:1] COCCCN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3c(C)cc(C)cc3Cl)cc2C1=O COC[*:1] Cc1cc(C)c(NC(=O)c2ccc3C(=O)N(CC[*:1])C(=O)c3c2)c(Cl)c1
COCCCN1C(=O)c2ccc(C(=O)Nc3c(C)cc(C)cc3Cl)cc2C1=O COCC[*:1] Cc1cc(C)c(NC(=O)c2ccc3C(=O)N(C[*:1])C(=O)c3c2)c(Cl)c1
COCCCN1C(=O)c2ccc(C(=O)Nc3c(C)cc(C)cc3Cl)cc2C1=O COCCC[*:1] Cc1cc(C)c(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)[*:1])c(Cl)c1
C=CCCCN(C)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 C=CCCC[*:1] CN(C(=O)NC1CCN(CC1)C(=O)c1ccoc1)[*:1]
C=CCCCN(C)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 C=CCC[*:1] CN(C[*:1])C(=O)NC1CCN(CC1)C(=O)c1ccoc1
C=CCCCN(C)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 C=CC[*:1] CN(CC[*:1])C(=O)NC1CCN(CC1)C(=O)c1ccoc1
C=CCCCN(C)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] C=CCCCN(C)C(=O)NC1CCN(CC1)C(=O)[*:1]
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 c1ccc2CN(CCc2c1)[*:1] O=C(NC[C@@H](c1cccnc1)[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 c1cncc(c1)[*:1] O=C(NC[C@@H](N1CCc2ccccc2C1)[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)N[*:1]
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H]1CN(C(=O)CCc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CC[*:1]
CN(CCOc1ccccc1)CN1CCOC1=S c1ccc(cc1)[*:1] CN(CCO[*:1])CN1CCOC1=S
O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[C@H](C1)NS(=O)(=O)[*:1]
O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 O=S(=O)(N[*:1])c1cccc(F)c1 O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[C@@H](C1)[*:1]
O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 Fc1ccc(cc1)[*:1] O=C(c1ccccc1C(=O)[*:1])N1CCC[C@H](C1)NS(=O)(=O)c1cccc(F)c1
O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 O=C(c1ccc(F)cc1)[*:1] O=C(c1ccccc1[*:1])N1CCC[C@H](C1)NS(=O)(=O)c1cccc(F)c1
Cc1cc(NC(=O)CCSc2nnc(NC3CCCCC3)s2)no1 Cc1cc(no1)[*:1] O=C(CCSc1nnc(NC2CCCCC2)s1)N[*:1]
Cc1cc(NC(=O)CCSc2nnc(NC3CCCCC3)s2)no1 C1CCC(CC1)[*:1] Cc1cc(no1)NC(=O)CCSc1nnc(N[*:1])s1
Cc1cc(NC(=O)CCSc2nnc(NC3CCCCC3)s2)no1 C1CCC(CC1)N[*:1] Cc1cc(no1)NC(=O)CCSc1nnc(s1)[*:1]
CSC[C@](C)(O)CNC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 C1CC1[*:1] CSC[C@](C)(O)CNC(=O)c1cc(nc2c(C)cc(C)cc12)[*:1]
CSC[C@](C)(O)CNC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 CSC[*:1] Cc1cc(C)c2nc(cc(C(=O)NC[C@](C)(O)[*:1])c2c1)C1CC1
Cc1ccc(=O)n(CC(=O)N2Cc3nc4c(C)c(-c5cccs5)nn4c(O)c3C2)n1 c1csc(c1)[*:1] Cc1ccc(=O)n(CC(=O)N2Cc3nc4c(C)c(nn4c(O)c3C2)[*:1])n1
Cc1ccc(=O)n(CC(=O)N2Cc3nc4c(C)c(-c5cccs5)nn4c(O)c3C2)n1 Cc1ccc(=O)n(n1)[*:1] Cc1c(nn2c(O)c3CN(Cc3nc12)C(=O)C[*:1])-c1cccs1
Cc1ccc(=O)n(CC(=O)N2Cc3nc4c(C)c(-c5cccs5)nn4c(O)c3C2)n1 Cc1ccc(=O)n(C[*:1])n1 Cc1c(nn2c(O)c3CN(Cc3nc12)C(=O)[*:1])-c1cccs1
Cc1csc([C@@H](C)NC(=O)N[C@@H](CC(C)C)c2cccs2)n1 CC(C)C[*:1] Cc1csc(n1)[C@@H](C)NC(=O)N[C@@H](c1cccs1)[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@@H](CC(C)C)c2cccs2)n1 Cc1csc(n1)[*:1] CC(C)C[C@H](NC(=O)N[C@H](C)[*:1])c1cccs1
Cc1csc([C@@H](C)NC(=O)N[C@@H](CC(C)C)c2cccs2)n1 c1csc(c1)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)N[C@@H](CC(C)C)[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@@H](CC(C)C)c2cccs2)n1 CC(C)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)N[C@@H](C[*:1])c1cccs1
Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NS(=O)(=O)c1cccs1 c1csc(c1)[*:1] Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NS(=O)(=O)[*:1]
Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NS(=O)(=O)c1cccs1 Clc1ccc(c(Cl)c1)[*:1] Cc1nn(CO[*:1])c(C)c1NS(=O)(=O)c1cccs1
CC[NH2+]CCc1cn(C[C@H]2CCCO2)cn1 C1CO[C@H](C1)[*:1] CC[NH2+]CCc1cn(cn1)C[*:1]
O=C(OC1CCN(c2ccc(Cl)cn2)CC1)C12CC3CC(CC(C3)C1)C2 Clc1ccc(nc1)[*:1] O=C(OC1CCN(CC1)[*:1])C12CC3CC(CC(C3)C1)C2
COC[C@H](O)C[C@@H]1CCCC1=O COC[*:1] O=C1CCC[C@H]1C[C@@H](O)[*:1]
COc1ccc(O[C@H]2CC[C@@]([NH3+])(C(N)=O)C2)c([N+](=O)[O-])c1 NC(=O)[*:1] COc1ccc(O[C@H]2CC[C@@]([NH3+])(C2)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(O[C@H]2CC[C@@]([NH3+])(C(N)=O)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(O[C@H]2CC[C@]([NH3+])(C2)C(N)=O)c(c1)[*:1]
CC(C)(CCCc1ccccc1)CNC(=O)N[C@@H]1CCCNC1=O c1ccc(cc1)CC[*:1] CC(C)(CNC(=O)N[C@@H]1CCCNC1=O)C[*:1]
CC(C)(CCCc1ccccc1)CNC(=O)N[C@@H]1CCCNC1=O c1ccc(cc1)C[*:1] CC(C)(CC[*:1])CNC(=O)N[C@@H]1CCCNC1=O
CC(C)(CCCc1ccccc1)CNC(=O)N[C@@H]1CCCNC1=O c1ccc(cc1)[*:1] CC(C)(CCC[*:1])CNC(=O)N[C@@H]1CCCNC1=O
C[NH2+][C@H](c1ccccc1C)[C@H](C)OC CO[C@@H](C)[*:1] C[NH2+][C@H](c1ccccc1C)[*:1]
[NH3+]CCOCc1cc(F)cc(Br)c1 [NH3+]CC[*:1] Fc1cc(Br)cc(c1)CO[*:1]
[NH3+]CCOCc1cc(F)cc(Br)c1 [NH3+]CCO[*:1] Fc1cc(Br)cc(c1)C[*:1]
C[C@H](CN1CCCC1=O)NC(=O)Cc1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@H](CN1CCCC1=O)NC(=O)C[*:1]
C[C@H](CN1CCCC1=O)NC(=O)Cc1ccc(Br)s1 O=C1CCCN1[*:1] C[C@H](C[*:1])NC(=O)Cc1ccc(Br)s1
C[C@@H](NC(=O)NC1(C)Cc2ccccc2C1)c1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NC1(C)Cc2ccccc2C1)c1nnnn1[*:1]
C=C(C)C[C@@H]([NH3+])C1(c2ccccc2)CCCC1 C=C(C)[*:1] [NH3+][C@H](C[*:1])C1(CCCC1)c1ccccc1
C=C(C)C[C@@H]([NH3+])C1(c2ccccc2)CCCC1 C=C(C)C[*:1] [NH3+][C@@H](C1(CCCC1)c1ccccc1)[*:1]
CC(C)C(=O)Nc1nc(CC(=O)Nc2cncc3ccccc23)cs1 CC(C)C(=O)N[*:1] O=C(Cc1csc(n1)[*:1])Nc1cncc2ccccc12
CC(C)C(=O)Nc1nc(CC(=O)Nc2cncc3ccccc23)cs1 CC(C)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])Nc1cncc2ccccc12
[NH3+][C@@H](c1ncc[nH]1)[C@@H]1CCOC2(CCC2)C1 c1c[nH]c(n1)[*:1] [NH3+][C@@H]([C@@H]1CCOC2(CCC2)C1)[*:1]
CCC[C@@](C)(CO)NC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C CC(C)(C)C(=O)N[*:1] CCC[C@@](C)(CO)NC(=O)Nc1cc(ccc1C)[*:1]
CCC[C@@](C)(CO)NC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C CCC[*:1] Cc1ccc(cc1NC(=O)N[C@@](C)(CO)[*:1])NC(=O)C(C)(C)C
CCC[C@@](C)(CO)NC(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C CC(C)(C)[*:1] CCC[C@@](C)(CO)NC(=O)Nc1cc(ccc1C)NC(=O)[*:1]
Cc1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1cccc2C(=O)N(C(=O)c12)c1ccccc1
Cc1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1[N+](=O)[O-] Cc1ccc(cc1[N+](=O)[O-])[*:1] O=C1c2cccc(NC(=O)[*:1])c2C(=O)N1c1ccccc1
Cc1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc1cccc2C(=O)N(C(=O)c12)[*:1]
C[C@H]1CCCN(S(=O)(=O)[N-]C[C@@H](c2ccco2)[NH+](C)C)C1 c1coc(c1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)[N-]C[C@@H]([NH+](C)C)[*:1]
Cc1c(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)oc2ccccc12 O=[N+]([O-])[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)Cc1ccc(cc1)[*:1]
C[C@H](CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)NN1C(=O)N[C@](C)(C1=O)[*:1])c1ccccc1
C[C@H](CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@]1(NC(=O)N(NC(=O)C[*:1])C1=O)c1ccccc1
C[C@H](CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)NN1C(=O)N[C@@](C)(C1=O)c1ccccc1)[*:1]
Clc1ccc(/C=N\c2ccc3c(c2)OCCOCCOCCOCCO3)c(Cl)c1 Clc1ccc(c(Cl)c1)[*:1] C(=Nc1ccc2OCCOCCOCCOCCOc2c1)[*:1]
COCCn1c(SCC(F)(F)F)nc2ccccc21 FC(F)(F)CS[*:1] COCCn1c(nc2ccccc21)[*:1]
COCCn1c(SCC(F)(F)F)nc2ccccc21 FC(F)(F)C[*:1] COCCn1c(nc2ccccc21)S[*:1]
COCCn1c(SCC(F)(F)F)nc2ccccc21 COC[*:1] FC(F)(F)CSc1nc2ccccc2n1C[*:1]
COCCn1c(SCC(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] COCCn1c(nc2ccccc21)SC[*:1]
COCCn1c(SCC(F)(F)F)nc2ccccc21 COCC[*:1] FC(F)(F)CSc1nc2ccccc2n1[*:1]
CCNc1nnc(S[C@@H](C(=O)Nc2cc(C)ccc2C)C(C)C)s1 CCNc1nnc(s1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](S[*:1])C(C)C
CCNc1nnc(S[C@@H](C(=O)Nc2cc(C)ccc2C)C(C)C)s1 CCN[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](Sc1nnc(s1)[*:1])C(C)C
CCNc1nnc(S[C@@H](C(=O)Nc2cc(C)ccc2C)C(C)C)s1 Cc1ccc(C)c(c1)[*:1] CCNc1nnc(S[C@@H](C(=O)N[*:1])C(C)C)s1
CCNc1nnc(S[C@@H](C(=O)Nc2cc(C)ccc2C)C(C)C)s1 CC(C)[*:1] CCNc1nnc(S[C@@H](C(=O)Nc2cc(C)ccc2C)[*:1])s1
COc1ccccc1NC(=O)c1cc2ccc(O)cc2o/c1=[NH+]\NS(=O)(=O)c1ccc(C)cc1 COc1ccccc1NC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N/[NH+]=c1\oc2cc(O)ccc2cc1[*:1]
COc1ccccc1NC(=O)c1cc2ccc(O)cc2o/c1=[NH+]\NS(=O)(=O)c1ccc(C)cc1 COc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N/[NH+]=c1\oc2cc(O)ccc2cc1C(=O)N[*:1]
COc1ccccc1NC(=O)c1cc2ccc(O)cc2o/c1=[NH+]\NS(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)c1cc2ccc(O)cc2o/c1=[NH+]\NS(=O)(=O)[*:1]
O=c1[nH]c(Cc2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccccc3)c12 c1ccc(cc1)[*:1] O=c1[nH]c(Cc2ccc(cc2)[N+](=O)[O-])nc2scc(c12)[*:1]
O=c1[nH]c(Cc2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccccc3)c12 O=[N+]([O-])[*:1] O=c1[nH]c(Cc2ccc(cc2)[*:1])nc2scc(-c3ccccc3)c12
Cc1ccccc1CCNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 Cc1ccccc1C[*:1] O=C(NC[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
Cc1ccccc1CCNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 Cc1ccccc1[*:1] O=C(NCC[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
CC(C)(C)c1ncc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cn1 CC(C)(C)[*:1] O=C(Nc1cnc(nc1)[*:1])c1cc(F)c(F)cc1[N+](=O)[O-]
CC(C)(C)c1ncc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CC(C)(C)c1ncc(cn1)NC(=O)c1cc(F)c(F)cc1[*:1]
O=C(COc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(COc1ccccc1F)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(COc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccccc1OC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)[*:1]
O=C(COc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccccc1O[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(COc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccccc1[*:1] O=C(CO[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
COc1ccc2cc([C@@H](C)CO)ccc2c1 C[C@@H](CO)[*:1] COc1ccc2cc(ccc2c1)[*:1]
O=C(Nc1ccc(N2CCOCC2)nc1)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)N1CCOCC1)c1cn(nc1-c1ccccc1)[*:1]
O=C(Nc1ccc(N2CCOCC2)nc1)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)N1CCOCC1)c1cn(nc1[*:1])-c1ccccc1
O=C(Nc1ccc(N2CCOCC2)nc1)c1cn(-c2ccccc2)nc1-c1ccccc1 C1CN(CCO1)[*:1] O=C(Nc1ccc(nc1)[*:1])c1cn(nc1-c1ccccc1)-c1ccccc1
CSc1ccc(N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)[nH+]n1 c1ccc(cc1)[*:1] CSc1ccc(N[C@@H]2C[C@@H](C)N(C2)[*:1])[nH+]n1
O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 C1CN(CCO1)[*:1] O=C(Nc1nc(cs1)-c1ccc2ccccc2c1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1nc(cs1)-c1ccc2ccccc2c1)c1ccc(c(c1)[*:1])N1CCOCC1
O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 c1ccc2cc(ccc2c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)c1cccc(Cl)c1 CC(C)S(=O)(=O)[*:1] CC[C@@H](NC(=O)C[*:1])c1cccc(Cl)c1
CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)c1cccc(Cl)c1 CC(C)[*:1] CC[C@@H](NC(=O)CS(=O)(=O)[*:1])c1cccc(Cl)c1
Cc1ccc(C(=O)CNc2cccc3ccccc23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)CNc1cccc2ccccc12
Cc1noc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 O=[N+]([O-])[*:1] Cc1noc(CCCC(=O)Nc2cc(ccc2O)[*:1])n1
Cc1noc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 Cc1noc(C[*:1])n1 O=C(CC[*:1])Nc1cc(ccc1O)[N+](=O)[O-]
Cc1noc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 Cc1noc(n1)[*:1] O=C(CCC[*:1])Nc1cc(ccc1O)[N+](=O)[O-]
CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCc2cc(F)ccc2[C@@H]1C CC(C)OC(=O)[C@@H](C)[*:1] C[C@H]1c2ccc(F)cc2CCN1C(=O)NC[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCc2cc(F)ccc2[C@@H]1C CC(C)OC(=O)[*:1] C[C@H]1c2ccc(F)cc2CCN1C(=O)NC[C@H](C)[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCc2cc(F)ccc2[C@@H]1C CC(C)[*:1] C[C@@H](CNC(=O)N1CCc2cc(F)ccc2[C@@H]1C)C(=O)O[*:1]
O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)c(Cl)c1 O=[N+]([O-])[*:1] O=C(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[*:1])c1ccc(Cl)c(Cl)c1
O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)c(Cl)c1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Nc1ncc(s1)S(=O)(=O)[*:1])c1ccc(Cl)c(Cl)c1
O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@@H](CO)CSc1nc2ccccc2cc1/C(N)=N/O C[C@@H](CO)C[*:1] N/C(=N\O)c1cc2ccccc2nc1S[*:1]
C[C@@H](CO)CSc1nc2ccccc2cc1/C(N)=N/O C[C@@H](CO)[*:1] N/C(=N\O)c1cc2ccccc2nc1SC[*:1]
C[C@@H](CO)CSc1nc2ccccc2cc1/C(N)=N/O N/C(=N\O)[*:1] C[C@@H](CO)CSc1nc2ccccc2cc1[*:1]
Cc1ccc(/C=C/C(=O)NCc2cccc(OCC(F)F)n2)o1 FC(F)CO[*:1] Cc1ccc(/C=C/C(=O)NCc2cccc(n2)[*:1])o1
Cc1ccc(/C=C/C(=O)NCc2cccc(OCC(F)F)n2)o1 Cc1ccc(o1)[*:1] O=C(C=C[*:1])NCc1cccc(n1)OCC(F)F
Cc1ccc(/C=C/C(=O)NCc2cccc(OCC(F)F)n2)o1 FC(F)C[*:1] Cc1ccc(/C=C/C(=O)NCc2cccc(n2)O[*:1])o1
Cc1ccc(/C=C/C(=O)NCc2cccc(OCC(F)F)n2)o1 FC(F)[*:1] Cc1ccc(/C=C/C(=O)NCc2cccc(n2)OC[*:1])o1
O=C(NCCc1ccccn1)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] O=C(NCCc1ccccn1)NC1CCN(CC1)C(=O)[*:1]
O=C(NCCc1ccccn1)NC1CCN(C(=O)c2ccoc2)CC1 c1ccc(C[*:1])nc1 O=C(NC[*:1])NC1CCN(CC1)C(=O)c1ccoc1
O=C(NCCc1ccccn1)NC1CCN(C(=O)c2ccoc2)CC1 c1ccc(CC[*:1])nc1 O=C(NC1CCN(CC1)C(=O)c1ccoc1)N[*:1]
O=C(NCCc1ccccn1)NC1CCN(C(=O)c2ccoc2)CC1 c1ccc(nc1)[*:1] O=C(NCC[*:1])NC1CCN(CC1)C(=O)c1ccoc1
O=C(OCc1ccccn1)[C@@H]1COc2ccccc21 c1ccc(nc1)[*:1] O=C(OC[*:1])[C@@H]1COc2ccccc21
CC(C)(C)CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 CC(C)(C)C[*:1] O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[*:1]
CC(C)(C)CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 CC(C)(C)[*:1] O=C(C[*:1])NNC(=O)C(=O)NCc1ccc(Cl)cc1
CC(C)(C)CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C)CC(=O)NNC(=O)C(=O)NC[*:1]
O=C(Nc1ccc2[nH]ncc2c1)C(=O)N1CCC[C@@H](c2ccccc2)CC1 c1cc2[nH]ncc2cc1[*:1] O=C(N[*:1])C(=O)N1CCC[C@H](CC1)c1ccccc1
O=C(Nc1ccc2[nH]ncc2c1)C(=O)N1CCC[C@@H](c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc2[nH]ncc2c1)C(=O)N1CCC[C@@H](CC1)[*:1]
CC(C)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)N[C@@H](c1ccccc1)c1ccccn1)[*:1]
CC(C)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)n(C)n1 c1ccc(nc1)[*:1] CC(C)c1cc(C(=O)N[C@@H](c2ccccc2)[*:1])n(C)n1
CC(C)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)n(C)n1 c1ccc(cc1)[*:1] CC(C)c1cc(C(=O)N[C@@H](c2ccccn2)[*:1])n(C)n1
COc1cc(C)c(C[NH+]2CCC(N3CCCC3=O)CC2)cc1OC O=C1CCCN1[*:1] COc1cc(C)c(cc1OC)C[NH+]1CCC(CC1)[*:1]
O=C(CCc1ccccc1O)NCCc1nnc(-c2ccccc2)o1 Oc1ccccc1[*:1] O=C(CC[*:1])NCCc1nnc(o1)-c1ccccc1
O=C(CCc1ccccc1O)NCCc1nnc(-c2ccccc2)o1 Oc1ccccc1C[*:1] O=C(C[*:1])NCCc1nnc(o1)-c1ccccc1
O=C(CCc1ccccc1O)NCCc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(CCc1ccccc1O)NCCc1nnc(o1)[*:1]
CCN(CC)C(=O)COc1ccc(NC(C)=O)cn1 CC(=O)N[*:1] CCN(CC)C(=O)COc1ccc(cn1)[*:1]
CCS(=O)(=O)CC(=O)OCc1ccc([N+](=O)[O-])cc1 CCS(=O)(=O)C[*:1] O=C(OCc1ccc(cc1)[N+](=O)[O-])[*:1]
CCS(=O)(=O)CC(=O)OCc1ccc([N+](=O)[O-])cc1 CCS(=O)(=O)[*:1] O=C(C[*:1])OCc1ccc(cc1)[N+](=O)[O-]
CCS(=O)(=O)CC(=O)OCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCS(=O)(=O)CC(=O)OCc1ccc(cc1)[*:1]
C[C@@H](CCC(=O)Nc1nn(C)cc1C(N)=O)c1ccccc1 NC(=O)[*:1] C[C@@H](CCC(=O)Nc1nn(C)cc1[*:1])c1ccccc1
C[C@@H](CCC(=O)Nc1nn(C)cc1C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CCC(=O)Nc1nn(C)cc1C(N)=O)[*:1]
CC(C)(C)c1ncc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cn1 O=C(N1CCCCC1)[*:1] CC(C)(C)c1ncc(cn1)C(=O)Nc1cccc(c1)[*:1]
CC(C)(C)c1ncc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cn1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCCCC1)c1cnc(nc1)[*:1]
Cn1c(SCC(=O)Nc2cc(=O)n(C)c(=O)n2C)nnc1-c1ccccc1Br Brc1ccccc1[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1cc(=O)n(C)c(=O)n1C
COc1ccc(NC(=O)Cn2cnc3c([nH]c4ccc(C)cc43)c2=O)c(C)c1 COc1ccc(c(C)c1)[*:1] Cc1ccc2[nH]c3c(=O)n(cnc3c2c1)CC(=O)N[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CCc3ccccc3Br)CC2)C1 Brc1ccccc1C[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CCN(CC1)C(=O)C[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CCc3ccccc3Br)CC2)C1 Brc1ccccc1CC[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CCN(CC1)C(=O)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CCc3ccccc3Br)CC2)C1 Brc1ccccc1[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CCN(CC1)C(=O)CC[*:1]
CCOc1cccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)c1 CCO[*:1] COc1cc2nc(oc(=O)c2cc1OC)-c1cccc(c1)[*:1]
CC(C)[NH+](C)CCOCC[NH3+] [NH3+]CC[*:1] CC(C)[NH+](C)CCO[*:1]
CC(C)[NH+](C)CCOCC[NH3+] CC(C)[*:1] C[NH+](CCOCC[NH3+])[*:1]
O=C1N[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)C(F)(F)F)[C@](O)(c2ccc(Cl)cc2)N1 Clc1ccc(c(Cl)c1)[*:1] O=C1N[C@@H]([C@H](C(=O)C(F)(F)F)[C@@](O)(N1)c1ccc(Cl)cc1)[*:1]
O=C1N[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)C(F)(F)F)[C@](O)(c2ccc(Cl)cc2)N1 Clc1ccc(cc1)[*:1] O=C1N[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)C(F)(F)F)[C@](O)(N1)[*:1]
O=C1N[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)C(F)(F)F)[C@](O)(c2ccc(Cl)cc2)N1 O=C(C(F)(F)F)[*:1] O=C1N[C@@H](c2ccc(Cl)cc2Cl)[C@H]([C@@](O)(N1)c1ccc(Cl)cc1)[*:1]
O=C1N[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)C(F)(F)F)[C@](O)(c2ccc(Cl)cc2)N1 FC(F)(F)[*:1] O=C1N[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)[*:1])[C@@](O)(N1)c1ccc(Cl)cc1
CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3cccn3)C2)c1 CS(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H](C1)n1cccn1
CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3cccn3)C2)c1 c1cnn(c1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N1CCC[C@@H](C1)[*:1]
COCc1ccc(C(=O)N[C@H]2CCCc3ccc(F)cc32)cc1 COC[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)c1ccc(cc1)[*:1]
O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)s1 Fc1ccccc1[*:1] O=C(CCC(=O)N1CCN(CC1)[*:1])c1ccc(Cl)s1
O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)s1 O=C(c1ccc(Cl)s1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccccc1F
O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(CCC(=O)[*:1])N1CCN(CC1)c1ccccc1F
COc1cc(CNC(=O)C[C@H](C)NC(=O)C2CCCC2)ccc1C O=C(N[*:1])C1CCCC1 COc1cc(ccc1C)CNC(=O)C[C@H](C)[*:1]
COc1cc(CNC(=O)C[C@H](C)NC(=O)C2CCCC2)ccc1C C1CCC(C1)[*:1] COc1cc(ccc1C)CNC(=O)C[C@H](C)NC(=O)[*:1]
Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4ccccc4)cnc32)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n(cnc21)NC(=O)[*:1]
Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4ccccc4)cnc32)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n(cnc21)NC(=O)C[*:1]
Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4ccccc4)cnc32)cc1C Cc1ccc(cc1C)[*:1] O=C(Cc1ccccc1)Nn1cnc2c(cnn2[*:1])c1=O
C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCCOc2ccc(F)cc2)C1=O Fc1ccc(cc1)OC[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1cccc(c1)-n1cnnn1
C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCCOc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CCCO[*:1])C1=O)c1cccc(c1)-n1cnnn1
C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCCOc2ccc(F)cc2)C1=O Fc1ccc(cc1)OCC[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cccc(c1)-n1cnnn1
C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCCOc2ccc(F)cc2)C1=O Fc1ccc(cc1)O[*:1] C[C@]1(NC(=O)N(CCC[*:1])C1=O)c1cccc(c1)-n1cnnn1
C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCCOc2ccc(F)cc2)C1=O c1nnnn1[*:1] C[C@]1(NC(=O)N(CCCOc2ccc(F)cc2)C1=O)c1cccc(c1)[*:1]
COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(C)ccc4C)c(C)c32)cc1 Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1)C(=O)N/N=C1\CCCc2oc(C(=O)N[*:1])c(C)c21
COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(C)ccc4C)c(C)c32)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(C)ccc4C)c(C)c32)cc1 Cc1ccc(C)c(c1)NC(=O)[*:1] COc1ccc(cc1)C(=O)N/N=C1\CCCc2oc(c(C)c21)[*:1]
COC(=O)c1ccc(=O)n(CC(=O)N(c2ccccc2)C(C)C)c1 CC(C)[*:1] COC(=O)c1ccc(=O)n(c1)CC(=O)N(c1ccccc1)[*:1]
COC(=O)c1ccc(=O)n(CC(=O)N(c2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] COC(=O)c1ccc(=O)n(c1)CC(=O)N(C(C)C)[*:1]
COC(=O)c1ccc(=O)n(CC(=O)N(c2ccccc2)C(C)C)c1 COC(=O)[*:1] CC(C)N(C(=O)Cn1cc(ccc1=O)[*:1])c1ccccc1
O=S1(=O)CC[C@@H](N(C2CC2)S(=O)(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=S1(=O)CC[C@H](C1)N(C1CC1)S(=O)(=O)C[*:1]
O=S1(=O)CC[C@@H](N(C2CC2)S(=O)(=O)Cc2ccccc2)C1 C1CC1[*:1] O=S1(=O)CC[C@H](C1)N(S(=O)(=O)Cc1ccccc1)[*:1]
O=S1(=O)CC[C@@H](N(C2CC2)S(=O)(=O)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=S1(=O)CC[C@H](C1)N(C1CC1)S(=O)(=O)[*:1]
O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCC12CC3CC(CC(C3)C1)C2)[*:1]
CNC(=O)c1c(C)nc(N)nc1-c1ccc(Cl)cc1Cl CNC(=O)[*:1] Cc1nc(N)nc(-c2ccc(Cl)cc2Cl)c1[*:1]
ClC/C=C/C[N+]12CN3CN(CN(C3)C1)C2 ClC/C=C/C[*:1] C1N2CN3CN1C[N+](C2)(C3)[*:1]
ClC/C=C/C[N+]12CN3CN(CN(C3)C1)C2 ClCC=C[*:1] C1N2CN3CN1C[N+](C2)(C3)C[*:1]
Cc1cc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)on1 Cc1cc(on1)[*:1] Cc1noc2nc(cc(C(=O)N[*:1])c12)C1CC1
Cc1cc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)on1 C1CC1[*:1] Cc1cc(NC(=O)c2cc(nc3onc(C)c23)[*:1])on1
COCCOC1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 COCCO[*:1] O=C(c1ccc2ccc(Cl)cc2n1)N1CCC(CC1)[*:1]
COCCOC1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 COC[*:1] O=C(c1ccc2ccc(Cl)cc2n1)N1CCC(CC1)OC[*:1]
COCCOC1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 COCC[*:1] O=C(c1ccc2ccc(Cl)cc2n1)N1CCC(CC1)O[*:1]
O=C(Nc1nc2ccccc2[nH]1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O Clc1ccccc1[*:1] O=C(Nc1nc2ccccc2[nH]1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C(Nc1nc2ccccc2[nH]1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O c1ccc2[nH]c(nc2c1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1Cl
O=C(NCCOc1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 c1ccc(cc1)O[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(Cc2ccco2)C1
O=C(NCCOc1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] O=C(NCCOc1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCOc1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 c1ccc(cc1)[*:1] O=C(NCCO[*:1])[C@H]1CC(=O)N(Cc2ccco2)C1
O=C(NCCOc1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 c1ccc(cc1)OC[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(Cc2ccco2)C1
O=C(NCCOc1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] O=C(NCCOc1ccccc1)[C@H]1CC(=O)N(C1)C[*:1]
C=CCn1c([C@H](C)NC(=O)COC)nc2ccccc21 C=CC[*:1] COCC(=O)N[C@@H](C)c1nc2ccccc2n1[*:1]
C=CCn1c([C@H](C)NC(=O)COC)nc2ccccc21 COC[*:1] C=CCn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
C=CCn1c([C@H](C)NC(=O)COC)nc2ccccc21 COCC(=O)N[*:1] C=CCn1c(nc2ccccc21)[C@H](C)[*:1]
Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)NCC1(CCC1)c1ccccc1
Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1[*:1])C(=O)NCC1(CCC1)c1ccccc1
Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1NC(=O)c1ccco1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)NCC1(CCC1)[*:1]
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CCCS2)cc1 CC(C)(C)[*:1] N#C[C@@H](NC(=O)[C@@H]1CCCS1)c1ccc(cc1)[*:1]
COc1cc(/C=C/C(=O)N2C[C@H](C)OC[C@H]2C)ccc1OCC#N N#CCO[*:1] COc1cc(/C=C/C(=O)N2C[C@H](C)OC[C@H]2C)ccc1[*:1]
COc1cc(/C=C/C(=O)N2C[C@H](C)OC[C@H]2C)ccc1OCC#N N#CC[*:1] COc1cc(/C=C/C(=O)N2C[C@H](C)OC[C@H]2C)ccc1O[*:1]
CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(C)=O)O1 CC(=O)O[*:1] CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)C[*:1]
CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(C)=O)O1 CC(=O)OCC(=O)[*:1] CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)[*:1]
CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(C)=O)O1 CC(=O)OC[*:1] CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)[*:1]
CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(C)=O)O1 CCC[*:1] CC(=O)OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C)[*:1]
CC1CC[NH+](CCOc2ccc(C(N)=S)cc2)CC1 NC(=S)[*:1] CC1CC[NH+](CCOc2ccc(cc2)[*:1])CC1
CC(=O)Oc1ccc(/C=c2/sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1 CC(=O)O[*:1] O=c1/c(=C\c2ccc(cc2)[*:1])sc2nc(/C=C/c3ccc(F)cc3)nn12
CC(=O)Oc1ccc(/C=c2/sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1 Fc1ccc(C=C[*:1])cc1 CC(=O)Oc1ccc(/C=c2/sc3nc(nn3c2=O)[*:1])cc1
CC(=O)Oc1ccc(/C=c2/sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1 Fc1ccc(cc1)[*:1] CC(=O)Oc1ccc(/C=c2/sc3nc(C=C[*:1])nn3c2=O)cc1
CCc1nnc2ccc(N3CCN(S(=O)(=O)c4ccc(OC)c(F)c4)CC3)nn12 COc1ccc(cc1F)[*:1] CCc1nnc2ccc(nn12)N1CCN(CC1)S(=O)(=O)[*:1]
NC(=O)c1cnc(NCc2ccnc(OCC(F)(F)F)c2)c(Cl)c1 NC(=O)[*:1] FC(F)(F)COc1cc(ccn1)CNc1ncc(cc1Cl)[*:1]
NC(=O)c1cnc(NCc2ccnc(OCC(F)(F)F)c2)c(Cl)c1 FC(F)(F)CO[*:1] NC(=O)c1cnc(NCc2ccnc(c2)[*:1])c(Cl)c1
NC(=O)c1cnc(NCc2ccnc(OCC(F)(F)F)c2)c(Cl)c1 FC(F)(F)[*:1] NC(=O)c1cnc(NCc2ccnc(c2)OC[*:1])c(Cl)c1
NC(=O)c1cnc(NCc2ccnc(OCC(F)(F)F)c2)c(Cl)c1 FC(F)(F)C[*:1] NC(=O)c1cnc(NCc2ccnc(c2)O[*:1])c(Cl)c1
CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cccc(F)c1 CCOC(=O)[*:1] Cc1ccc(cc1)C1=CC(=O)[C@@H]([C@@H](C1)c1cccc(F)c1)[*:1]
CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCOC(=O)[C@H]1C(=O)C=C(C[C@@H]1[*:1])c1ccc(C)cc1
CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cccc(F)c1 Cc1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(=O)C=C(C[C@H]1c1cccc(F)c1)[*:1]
O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 c1cn(cn1)[*:1] O=C(Nc1ccccc1Cl)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 Clc1ccccc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1ccnc1
CC1=C(C)C[C@H](C(=O)NNC(=O)c2cccc(C)c2)[C@@H](C(=O)[O-])C1 Cc1cccc(c1)[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)C(=O)NNC(=O)[*:1]
CC1=C(C)C[C@H](C(=O)NNC(=O)c2cccc(C)c2)[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC1C[C@H](C(=O)NNC(=O)c2cccc(C)c2)[C@@H](CC=1C)[*:1]
Cc1ccc(N[C@H](C)CC(C)C)c([N+](=O)[O-])c1 CC(C)[*:1] Cc1ccc(N[C@H](C)C[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(N[C@H](C)CC(C)C)c([N+](=O)[O-])c1 CC(C)C[*:1] Cc1ccc(N[C@H](C)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(N[C@H](C)CC(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(N[C@H](C)CC(C)C)c(c1)[*:1]
COc1ccc2ccc(OC(=O)c3cccnc3N3CCCCC3)cc2c1 C1CCN(CC1)[*:1] COc1ccc2ccc(cc2c1)OC(=O)c1cccnc1[*:1]
COc1c(C)cc(C[NH2+]Cc2n[nH]c(-c3ccco3)n2)cc1C c1coc(c1)[*:1] COc1c(C)cc(cc1C)C[NH2+]Cc1n[nH]c(n1)[*:1]
COc1ccc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[*:1])[N+](=O)[O-]
COc1ccc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)CNC(=O)c1c(C)cc(C)c(c1C)[*:1]
C[NH2+][C@@H](c1cscc1C)c1cc(OC)c(OC)cc1C Cc1cscc1[*:1] C[NH2+][C@@H](c1cc(OC)c(cc1C)OC)[*:1]
O=C(NCc1ccc(O)cc1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 Oc1ccc(cc1)C[*:1] O=C(N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)N[*:1]
O=C(NCc1ccc(O)cc1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 Oc1ccc(cc1)[*:1] O=C(NC[*:1])N[C@H](c1cccc(c1)C(F)(F)F)C1CC1
O=C(NCc1ccc(O)cc1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] O=C(NCc1ccc(O)cc1)N[C@H](c1cccc(c1)[*:1])C1CC1
O=C(NCc1ccc(O)cc1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] O=C(NCc1ccc(O)cc1)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
CC[C@H](C)NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 CC[C@H](C)[*:1] O=C(Cc1csc(n1)NC(=O)Nc1ccc(Cl)cc1)N[*:1]
CC[C@H](C)NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 CC[C@H](C)NC(=O)[*:1] O=C(Nc1ccc(Cl)cc1)Nc1nc(cs1)C[*:1]
CC[C@H](C)NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 CC[C@H](C)NC(=O)C[*:1] O=C(Nc1ccc(Cl)cc1)Nc1nc(cs1)[*:1]
CC[C@H](C)NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)Cc1csc(n1)NC(=O)N[*:1]
O=C(CN1CCOC1=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 FC(F)(F)c1cccc(c1)[*:1] O=C(CN1CCOC1=O)N1CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
O=C(CN1CCOC1=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 O=C1OCCN1C[*:1] O=C(N1CCC[C@H](C1)[NH+]1CCN(CC1)c1cccc(c1)C(F)(F)F)[*:1]
O=C(CN1CCOC1=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 O=C1OCCN1[*:1] O=C(C[*:1])N1CCC[C@H](C1)[NH+]1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C(CN1CCOC1=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 FC(F)(F)[*:1] O=C(CN1CCOC1=O)N1CCC[C@H](C1)[NH+]1CCN(CC1)c1cccc(c1)[*:1]
CCOC(=O)C1CCN(C[C@H](C#N)CCC#N)CC1 N#CC[*:1] CCOC(=O)C1CCN(CC1)C[C@H](C#N)C[*:1]
CCOC(=O)C1CCN(C[C@H](C#N)CCC#N)CC1 CCOC(=O)[*:1] N#CCC[C@@H](C#N)CN1CCC(CC1)[*:1]
CCOC(=O)C1CCN(C[C@H](C#N)CCC#N)CC1 N#CCC[*:1] CCOC(=O)C1CCN(CC1)C[C@H](C#N)[*:1]
Cc1nc(Cn2nnc3ccccc3c2=O)cs1 Cc1nc(cs1)[*:1] O=c1c2ccccc2nnn1C[*:1]
CCOC(=O)[C@@]1(CC)O[C@]1(CC)c1ccc(Br)cc1 CCOC(=O)[*:1] CC[C@]1(O[C@]1(CC)c1ccc(Br)cc1)[*:1]
COc1ccc([C@@H]2[C@H](C(=O)N3CCC[C@H](C)C3)CCC(=O)N2C)cc1 COc1ccc(cc1)[*:1] C[C@H]1CCCN(C1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1[*:1]
Cc1ccccc1COC1CCN(C(=O)[C@H](C)c2ccsc2)CC1 c1cc(cs1)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)[C@H](C)[*:1]
Cc1ccccc1COC1CCN(C(=O)[C@H](C)c2ccsc2)CC1 Cc1ccccc1C[*:1] C[C@@H](C(=O)N1CCC(CC1)O[*:1])c1ccsc1
Cc1ccccc1COC1CCN(C(=O)[C@H](C)c2ccsc2)CC1 Cc1ccccc1[*:1] C[C@@H](C(=O)N1CCC(CC1)OC[*:1])c1ccsc1
COC(=O)C1=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1C Clc1ccccc1[*:1] COC(=O)C1=NC2C[C@@H](CC(=O)C=2[C@H]1C)[*:1]
C=C(C)Cn1ccc([C@@H](O)CCC)c1 C=C(C)C[*:1] CCC[C@H](O)c1ccn(c1)[*:1]
C=C(C)Cn1ccc([C@@H](O)CCC)c1 CCC[*:1] C=C(C)Cn1ccc(c1)[C@@H](O)[*:1]
C=C(C)Cn1ccc([C@@H](O)CCC)c1 C=C(C)[*:1] CCC[C@H](O)c1ccn(c1)C[*:1]
CN(CCCS(C)(=O)=O)C(=O)c1cn(C)nc1C(F)(F)F CS(=O)(=O)CCC[*:1] CN(C(=O)c1cn(C)nc1C(F)(F)F)[*:1]
CN(CCCS(C)(=O)=O)C(=O)c1cn(C)nc1C(F)(F)F FC(F)(F)[*:1] CN(CCCS(C)(=O)=O)C(=O)c1cn(C)nc1[*:1]
CN(CCCS(C)(=O)=O)C(=O)c1cn(C)nc1C(F)(F)F CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)c1cn(C)nc1C(F)(F)F
CN(CCCS(C)(=O)=O)C(=O)c1cn(C)nc1C(F)(F)F CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)c1cn(C)nc1C(F)(F)F
CN(CCCS(C)(=O)=O)C(=O)c1cn(C)nc1C(F)(F)F CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)c1cn(C)nc1C(F)(F)F
O=C(NC[C@H]1CCCN(c2nnnn2-c2ccccc2)C1)c1cccnc1 O=C(N[*:1])c1cccnc1 c1ccc(cc1)-n1nnnc1N1CCC[C@@H](C1)C[*:1]
O=C(NC[C@H]1CCCN(c2nnnn2-c2ccccc2)C1)c1cccnc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCN(C1)c1nnnn1[*:1])c1cccnc1
O=C(NC[C@H]1CCCN(c2nnnn2-c2ccccc2)C1)c1cccnc1 c1cncc(c1)[*:1] O=C(NC[C@H]1CCCN(C1)c1nnnn1-c1ccccc1)[*:1]
CSCc1cccc(NC(=O)N(C)c2c(C)noc2C)c1 CSC[*:1] Cc1noc(C)c1N(C)C(=O)Nc1cccc(c1)[*:1]
CSCc1cccc(NC(=O)N(C)c2c(C)noc2C)c1 Cc1noc(C)c1[*:1] CSCc1cccc(c1)NC(=O)N(C)[*:1]
CC1CC[NH+](Cc2csc(CS(C)(=O)=O)n2)CC1 CS(=O)(=O)[*:1] CC1CC[NH+](CC1)Cc1csc(C[*:1])n1
CC1CC[NH+](Cc2csc(CS(C)(=O)=O)n2)CC1 CS(=O)(=O)C[*:1] CC1CC[NH+](CC1)Cc1csc(n1)[*:1]
CC(C)(C)c1cc(C(=O)NNC(=O)c2cccs2)n(Cc2ccc(F)cc2)n1 CC(C)(C)[*:1] O=C(NNC(=O)c1cc(nn1Cc1ccc(F)cc1)[*:1])c1cccs1
CC(C)(C)c1cc(C(=O)NNC(=O)c2cccs2)n(Cc2ccc(F)cc2)n1 c1csc(c1)[*:1] CC(C)(C)c1cc(C(=O)NNC(=O)[*:1])n(Cc2ccc(F)cc2)n1
CC(C)(C)c1cc(C(=O)NNC(=O)c2cccs2)n(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)(C)c1cc(C(=O)NNC(=O)c2cccs2)n(C[*:1])n1
CC(C)(C)c1cc(C(=O)NNC(=O)c2cccs2)n(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)C[*:1] CC(C)(C)c1cc(C(=O)NNC(=O)c2cccs2)n(n1)[*:1]
O=C(CN1CCO[C@@H](c2cccs2)C1)NOCc1ccccc1 c1csc(c1)[*:1] O=C(CN1CCO[C@@H](C1)[*:1])NOCc1ccccc1
O=C(CN1CCO[C@@H](c2cccs2)C1)NOCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCO[C@H](C1)c1cccs1)NOC[*:1]
O=C(CN1CCO[C@@H](c2cccs2)C1)NOCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CCO[C@H](C1)c1cccs1)NO[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H]([C@H](O)c2cccc(Br)c2)C1 CS(=O)(=O)[*:1] O[C@H](c1cccc(Br)c1)[C@@H]1CCC[C@@H](C1)[*:1]
CCN(C)S(=O)(=O)N[C@@H](c1ccc(OC)cc1)C1CCOCC1 C1CC(CCO1)[*:1] CCN(C)S(=O)(=O)N[C@@H](c1ccc(cc1)OC)[*:1]
CCN1CCO[C@@H](c2ncc(CNCCOC)cn2)C1 COCC[*:1] CCN1CCO[C@H](C1)c1ncc(cn1)CN[*:1]
CCN1CCO[C@@H](c2ncc(CNCCOC)cn2)C1 COCCN[*:1] CCN1CCO[C@H](C1)c1ncc(cn1)C[*:1]
CCN1CCO[C@@H](c2ncc(CNCCOC)cn2)C1 COC[*:1] CCN1CCO[C@H](C1)c1ncc(cn1)CNC[*:1]
CCN1CCO[C@@H](c2ncc(CNCCOC)cn2)C1 COCCNC[*:1] CCN1CCO[C@H](C1)c1ncc(cn1)[*:1]
O=C(Nc1cccc(Cl)c1-n1cncn1)c1nc[nH]n1 c1ncn(n1)[*:1] O=C(Nc1cccc(Cl)c1[*:1])c1nc[nH]n1
O=C(Nc1cccc(Cl)c1-n1cncn1)c1nc[nH]n1 c1nc(n[nH]1)[*:1] O=C(Nc1cccc(Cl)c1-n1cncn1)[*:1]
COc1ccc(Cl)cc1NC(=O)N1CCN(CCn2c(C(F)(F)F)nc3cccnc32)CC1 COc1ccc(Cl)cc1[*:1] O=C(N[*:1])N1CCN(CC1)CCn1c(nc2cccnc21)C(F)(F)F
COc1ccc(Cl)cc1NC(=O)N1CCN(CCn2c(C(F)(F)F)nc3cccnc32)CC1 FC(F)(F)[*:1] COc1ccc(Cl)cc1NC(=O)N1CCN(CC1)CCn1c(nc2cccnc21)[*:1]
COc1ccc(OC)c(CCC(=O)NC2(C(N)=O)CCCCC2)c1 NC(=O)[*:1] COc1ccc(OC)c(c1)CCC(=O)NC1(CCCCC1)[*:1]
Cc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(S[C@@H](C)C(=O)Nc2sc3CCCCCc3c2C#N)n1C[*:1]
Cc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nnc(S[C@@H](C)C(=O)Nc2sc3CCCCCc3c2C#N)n1[*:1]
O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 C1CCC(C1)[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1
O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)N[*:1]
C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 c1coc(c1)C[*:1] C[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(=O)[nH]n1)[*:1]
C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 c1coc(c1)[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1ccc(s1)-c1ccc(=O)[nH]n1
C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 C[C@@H](Cc1ccco1)[*:1] O=c1ccc(n[nH]1)-c1ccc(s1)S(=O)(=O)N[*:1]
C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 O=c1ccc(n[nH]1)[*:1] C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(s1)[*:1]
Cc1nnc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)s1 Fc1ccc(cc1)[*:1] Cc1nnc(NC(=O)[C@H]2CCCN(C2)C(=O)[*:1])s1
Cc1nnc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(F)cc1
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccccc1OCc1ccccc1Cl)OCO3 Clc1ccccc1C[*:1] N#CC1=C(N)Oc2cc3OCOc3cc2[C@H]1c1ccccc1O[*:1]
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccccc1OCc1ccccc1Cl)OCO3 Clc1ccccc1[*:1] N#CC1=C(N)Oc2cc3OCOc3cc2[C@H]1c1ccccc1OC[*:1]
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccccc1OCc1ccccc1Cl)OCO3 Clc1ccccc1CO[*:1] N#CC1=C(N)Oc2cc3OCOc3cc2[C@H]1c1ccccc1[*:1]
CC(C)CN(C(=O)c1nc[nH]n1)C(C)C CC(C)C[*:1] CC(C)N(C(=O)c1nc[nH]n1)[*:1]
CC(C)CN(C(=O)c1nc[nH]n1)C(C)C CC(C)[*:1] CC(C)CN(C(=O)c1nc[nH]n1)[*:1]
CC(C)CN(C(=O)c1nc[nH]n1)C(C)C CC(C)[*:1] CC(C)N(C[*:1])C(=O)c1nc[nH]n1
CN(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Cc1n[nH]c(=O)c2ccccc12 Clc1ccc(cc1)CO[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)Cc1n[nH]c(=O)c2ccccc12
CN(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Cc1n[nH]c(=O)c2ccccc12 Clc1ccc(cc1)[*:1] CN(Cc1ccc(cc1)OC[*:1])C(=O)Cc1n[nH]c(=O)c2ccccc12
CN(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Cc1n[nH]c(=O)c2ccccc12 Clc1ccc(cc1)C[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)Cc1n[nH]c(=O)c2ccccc12
C=CCc1c(C)[nH+]c2c(C)cccc2c1SC(N)=[NH2+] C=CC[*:1] Cc1[nH+]c2c(C)cccc2c(SC(N)=[NH2+])c1[*:1]
CC(C)Cc1ncc(C[NH+]2CCCCC2)s1 CC(C)[*:1] c1nc(C[*:1])sc1C[NH+]1CCCCC1
CC(C)Cc1ncc(C[NH+]2CCCCC2)s1 CC(C)C[*:1] c1nc(sc1C[NH+]1CCCCC1)[*:1]
O=C(NC1CC1)[C@H](Sc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 C1CC1[*:1] O=C(N[*:1])[C@H](Sc1ccc(cn1)C(F)(F)F)c1ccc(F)cc1
O=C(NC1CC1)[C@H](Sc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC1CC1)[C@H](Sc1ccc(cn1)C(F)(F)F)[*:1]
O=C(NC1CC1)[C@H](Sc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(NC1CC1)[C@H](Sc1ccc(cn1)[*:1])c1ccc(F)cc1
O=C(NC1CC1)[C@H](Sc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 O=C(NC1CC1)[*:1] Fc1ccc(cc1)[C@@H](Sc1ccc(cn1)C(F)(F)F)[*:1]
CC1=C(C)C[C@@H](C(=O)[O-])[C@@H](C(=O)NCCN2CCOCC2)C1 C1CN(CCO1)C[*:1] CC1C[C@H](C(=O)NC[*:1])[C@@H](CC=1C)C(=O)[O-]
CC1=C(C)C[C@@H](C(=O)[O-])[C@@H](C(=O)NCCN2CCOCC2)C1 O=C([O-])[*:1] CC1C[C@H](C(=O)NCCN2CCOCC2)[C@H](CC=1C)[*:1]
CC1=C(C)C[C@@H](C(=O)[O-])[C@@H](C(=O)NCCN2CCOCC2)C1 C1CN(CCO1)[*:1] CC1C[C@H](C(=O)NCC[*:1])[C@@H](CC=1C)C(=O)[O-]
N[C@H](c1ccc(C(=O)[O-])cc1Cl)C(F)(F)F FC(F)(F)[*:1] N[C@H](c1ccc(cc1Cl)C(=O)[O-])[*:1]
N[C@H](c1ccc(C(=O)[O-])cc1Cl)C(F)(F)F O=C([O-])[*:1] N[C@H](c1ccc(cc1Cl)[*:1])C(F)(F)F
C/C=C/C(=O)NCCc1nc2ccccc2n1CC(=O)N(C)c1ccccc1 C/C=C/C(=O)NC[*:1] CN(C(=O)Cn1c(C[*:1])nc2ccccc21)c1ccccc1
C/C=C/C(=O)NCCc1nc2ccccc2n1CC(=O)N(C)c1ccccc1 C/C=C/C(=O)NCC[*:1] CN(C(=O)Cn1c(nc2ccccc21)[*:1])c1ccccc1
C/C=C/C(=O)NCCc1nc2ccccc2n1CC(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C/C=C/C(=O)NCCc1nc2ccccc2n1CC(=O)N(C)[*:1]
C/C=C/C(=O)NCCc1nc2ccccc2n1CC(=O)N(C)c1ccccc1 C/C=C/C(=O)N[*:1] CN(C(=O)Cn1c(CC[*:1])nc2ccccc21)c1ccccc1
C/C=C/C(=O)NCCc1nc2ccccc2n1CC(=O)N(C)c1ccccc1 CC=C[*:1] CN(C(=O)Cn1c(CCNC(=O)[*:1])nc2ccccc21)c1ccccc1
CC[C@@H]([NH2+][C@H](C)c1cc(Cl)cc(Cl)c1)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H]([NH2+][C@H](C)c1cc(Cl)cc(Cl)c1)[*:1]
CSc1ccccc1NC(=O)Cc1cc(-c2cc3ccccc3o2)on1 CSc1ccccc1[*:1] O=C(Cc1cc(on1)-c1cc2ccccc2o1)N[*:1]
Cc1nc(CC(=O)NCCCNc2ncccn2)cs1 c1cnc(nc1)[*:1] Cc1nc(cs1)CC(=O)NCCCN[*:1]
Cc1nc(CC(=O)NCCCNc2ncccn2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])NCCCNc1ncccn1
CN(C)S(=O)(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CN(C)S(=O)(=O)N1CCN(CC1)C(=O)CC[*:1]
CN(C)S(=O)(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)N1CCN(CC1)C(=O)CCC[*:1]
CCCCN(C(=O)[C@@H](C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@H](C)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)[C@@H](C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 C[C@H]1CN(C[C@@H](C)O1)[*:1] CCCCN(C(=O)[C@@H](C)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)[C@@H](C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCCN(C(=O)[C@@H](C)N1C[C@H](C)O[C@H](C)C1)[*:1]
CCCCN(C(=O)[C@@H](C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(Cn1c(=O)c2ccccc2n2nnc(-c3ccccc3)c12)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=c1c2ccccc2n2nnc(-c3ccccc3)c2n1[*:1]
O=C(Cn1c(=O)c2ccccc2n2nnc(-c3ccccc3)c12)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)c2ccccc2n2nnc(c12)[*:1])Nc1ccccc1
O=C(Cn1c(=O)c2ccccc2n2nnc(-c3ccccc3)c12)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=c1c2ccccc2n2nnc(-c3ccccc3)c2n1C[*:1]
O=C(Cn1c(=O)c2ccccc2n2nnc(-c3ccccc3)c12)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)c2ccccc2n2nnc(-c3ccccc3)c12)N[*:1]
CC(C)([NH2+]C[C@@H]1CCCO1)C(=O)[O-] O=C([O-])[*:1] CC(C)([NH2+]C[C@@H]1CCCO1)[*:1]
NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 Clc1ccccc1C[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)/C=C/c1cn(nc1-c1ccccc1)[*:1]
NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)/C=C/c1cn(Cc2ccccc2Cl)nc1[*:1]
NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 NC(=O)[*:1] O=C(/C=C/c1cn(Cc2ccccc2Cl)nc1-c1ccccc1)N1CCC[C@H](C1)[*:1]
NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 Clc1ccccc1[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)/C=C/c1cn(C[*:1])nc1-c1ccccc1
C=C(c1ccccc1)[C@@H](C(=O)[O-])S(C)(=O)=O CS(=O)(=O)[*:1] C=C(c1ccccc1)[C@@H](C(=O)[O-])[*:1]
C=C(c1ccccc1)[C@@H](C(=O)[O-])S(C)(=O)=O O=C([O-])[*:1] C=C(c1ccccc1)[C@@H](S(C)(=O)=O)[*:1]
CC(C)NC(=O)CCNC(=O)N1CC[C@@H](C)[C@H](O)C1 CC(C)NC(=O)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCC[*:1]
CC(C)NC(=O)CCNC(=O)N1CC[C@@H](C)[C@H](O)C1 CC(C)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCCC(=O)N[*:1]
CSC[C@@H](C)NC(=O)NCCCc1nc(C)no1 Cc1noc(n1)[*:1] CSC[C@@H](C)NC(=O)NCCC[*:1]
CSC[C@@H](C)NC(=O)NCCCc1nc(C)no1 CSC[*:1] Cc1noc(CCCNC(=O)N[C@H](C)[*:1])n1
CSC[C@@H](C)NC(=O)NCCCc1nc(C)no1 CSC[C@@H](C)[*:1] Cc1noc(CCCNC(=O)N[*:1])n1
COCc1nc(C(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)cs1 COC[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)c1csc(n1)[*:1]
c1ccc2ncc(Cn3cc[nH+]c3-c3ccoc3)cc2c1 c1cc(co1)[*:1] c1ccc2ncc(cc2c1)Cn1cc[nH+]c1[*:1]
CCCOc1ccc(CCC(=O)NC2CCC3(CC2)OCCO3)cc1 CCCO[*:1] O=C(CCc1ccc(cc1)[*:1])NC1CCC2(CC1)OCCO2
CCCOc1ccc(CCC(=O)NC2CCC3(CC2)OCCO3)cc1 CCC[*:1] O=C(CCc1ccc(cc1)O[*:1])NC1CCC2(CC1)OCCO2
C=C(C)C[NH+]1CCC(NC(=O)NOCc2ccccc2)CC1 C=C(C)[*:1] O=C(NOCc1ccccc1)NC1CC[NH+](CC1)C[*:1]
C=C(C)C[NH+]1CCC(NC(=O)NOCc2ccccc2)CC1 c1ccc(cc1)C[*:1] C=C(C)C[NH+]1CCC(CC1)NC(=O)NO[*:1]
C=C(C)C[NH+]1CCC(NC(=O)NOCc2ccccc2)CC1 c1ccc(cc1)[*:1] C=C(C)C[NH+]1CCC(CC1)NC(=O)NOC[*:1]
CCn1nnnc1COc1ccc(C(=O)Nc2c(C)nsc2C)cc1 Cc1nsc(C)c1[*:1] CCn1nnnc1COc1ccc(cc1)C(=O)N[*:1]
CCn1nnnc1COc1ccc(C(=O)Nc2c(C)nsc2C)cc1 CCn1nnnc1C[*:1] Cc1nsc(C)c1NC(=O)c1ccc(cc1)O[*:1]
CCn1nnnc1COc1ccc(C(=O)Nc2c(C)nsc2C)cc1 CCn1nnnc1[*:1] Cc1nsc(C)c1NC(=O)c1ccc(cc1)OC[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO CC(C)(CO)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO c1ccc(cc1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C(C)(C)CO)[*:1]
Cc1ccc(F)cc1[C@@H]([NH3+])Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] Cc1ccc(F)cc1[C@@H]([NH3+])Cc1nc(cs1)[*:1]
CSCC[C@@H](C)NC(=O)Nc1ccc(Cl)nc1 CSC[*:1] C[C@H](C[*:1])NC(=O)Nc1ccc(Cl)nc1
CSCC[C@@H](C)NC(=O)Nc1ccc(Cl)nc1 CSCC[*:1] C[C@@H](NC(=O)Nc1ccc(Cl)nc1)[*:1]
Cc1ncccc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 Cc1ncccc1[*:1] CC1CC[NH+](CCNC(=O)C(=O)N[*:1])CC1
Cc1csc(C(=O)N[C@@H]2CCCC[C@@H]2N2C(=O)CSC2=O)c1 O=C1CSC(=O)N1[*:1] Cc1csc(c1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cc1csc(C(=O)N[C@@H]2CCCC[C@@H]2N2C(=O)CSC2=O)c1 Cc1csc(c1)[*:1] O=C1CSC(=O)N1[C@H]1CCCC[C@H]1NC(=O)[*:1]
Cc1ccc(-c2nnn(CC(=O)N[C@H]3CCCn4c(C)nnc43)n2)cc1 Cc1ccc(cc1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)Cn1nnc(n1)[*:1]
O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCc1cn2ccccc2n1 c1ccn2cc(C[*:1])nc2c1 O=C(Cc1csc(n1)NC(=O)c1ccc2OCOc2c1)N[*:1]
O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCc1cn2ccccc2n1 c1cc2OCOc2cc1[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])NCc1cn2ccccc2n1
O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCc1cn2ccccc2n1 c1ccn2cc(nc2c1)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccc2OCOc2c1)NC[*:1]
Cc1ccc(-c2cc(-c3nnc(SCc4cc(C)on4)n3N)c3ccccc3n2)cc1 Cc1cc(C[*:1])no1 Cc1ccc(cc1)-c1cc(-c2nnc(S[*:1])n2N)c2ccccc2n1
Cc1ccc(-c2cc(-c3nnc(SCc4cc(C)on4)n3N)c3ccccc3n2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)-c1cc(-c2nnc(SC[*:1])n2N)c2ccccc2n1
Cc1ccc(-c2cc(-c3nnc(SCc4cc(C)on4)n3N)c3ccccc3n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(CSc2nnc(-c3cc(nc4ccccc34)[*:1])n2N)no1
Cc1ccc(-c2cc(-c3nnc(SCc4cc(C)on4)n3N)c3ccccc3n2)cc1 Cc1cc(CS[*:1])no1 Cc1ccc(cc1)-c1cc(-c2nnc(n2N)[*:1])c2ccccc2n1
COc1ccc(NC(=O)Cc2cccc(F)c2)cc1OC1CCCC1 C1CCC(C1)[*:1] COc1ccc(cc1O[*:1])NC(=O)Cc1cccc(F)c1
COc1ccc(NC(=O)Cc2cccc(F)c2)cc1OC1CCCC1 Fc1cccc(c1)C[*:1] COc1ccc(cc1OC1CCCC1)NC(=O)[*:1]
COc1ccc(NC(=O)Cc2cccc(F)c2)cc1OC1CCCC1 C1CCC(C1)O[*:1] COc1ccc(cc1[*:1])NC(=O)Cc1cccc(F)c1
COc1ccc(NC(=O)Cc2cccc(F)c2)cc1OC1CCCC1 Fc1cccc(c1)[*:1] COc1ccc(cc1OC1CCCC1)NC(=O)C[*:1]
Cc1ccccc1Cn1nc(NC(=O)c2nc3ncccn3n2)cc1C Cc1ccccc1C[*:1] Cc1cc(nn1[*:1])NC(=O)c1nc2ncccn2n1
Cc1ccccc1Cn1nc(NC(=O)c2nc3ncccn3n2)cc1C Cc1ccccc1[*:1] Cc1cc(nn1C[*:1])NC(=O)c1nc2ncccn2n1
CCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1Cl CCO[*:1] CC(=O)NC(=S)Nc1ccc(cc1)NC(=O)c1ccc(c(Cl)c1)[*:1]
CCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1Cl CC(=O)NC(=S)N[*:1] CCOc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] C[C@H](C(=O)N(C)C[*:1])[NH+]1CCCC1
C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cccc(Cl)c1 O=[N+]([O-])[*:1] C[C@@H](Sc1nnc(o1)-c1ccc(cc1)[*:1])C(=O)Nc1cccc(Cl)c1
C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cccc(Cl)c1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)Nc1cccc(Cl)c1
C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](Sc1nnc(o1)-c1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(NC(=O)Nc2nnc(N3CCC[C@@H](C)C3)s2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)c1nnc(NC(=O)N[*:1])s1
Cc1ccc(NC(=O)Nc2nnc(N3CCC[C@@H](C)C3)s2)cc1 C[C@@H]1CCCN(C1)[*:1] Cc1ccc(cc1)NC(=O)Nc1nnc(s1)[*:1]
O=[N+]([O-])/C=C/c1cccc(F)c1O O=[N+]([O-])[*:1] Oc1c(F)cccc1C=C[*:1]
Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])c1ccc(cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O
N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1[*:1]
COc1ccc(CCCNC(=O)N[C@@H](C)c2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)CCCNC(=O)N[C@@H](C)[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)[nH]n1 c1csc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1cc([nH]n1)-c1ccccc1
C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)[nH]n1 c1csc(c1)C[*:1] C[NH+](C)CCN(C(=O)c1cc([nH]n1)-c1ccccc1)[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc([nH]n1)[*:1]
CC(C)OC(=O)[C@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@H](C(N)=O)[C@@H]1c1ccccc1C(F)(F)F NC(=O)[*:1] CC(C)OC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H](C(N)=O)[C@@H]1c1ccccc1C(F)(F)F)[*:1]
CC(C)OC(=O)[C@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@H](C(N)=O)[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CC(C)OC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H](C(N)=O)[C@@H]1c1ccccc1[*:1])C(N)=O
CC(C)OC(=O)[C@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@H](C(N)=O)[C@@H]1c1ccccc1C(F)(F)F CC(C)[*:1] N#C[C@@]1(C(=O)O[*:1])[C@@H]2C=CC(=CN2[C@H](C(N)=O)[C@@H]1c1ccccc1C(F)(F)F)C(N)=O
CC(C)OC(=O)[C@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@H](C(N)=O)[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] CC(C)OC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H](C(N)=O)[C@H]1[*:1])C(N)=O
CC(C)OC(=O)[C@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@H](C(N)=O)[C@@H]1c1ccccc1C(F)(F)F NC(=O)[*:1] CC(C)OC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccccc1C(F)(F)F)[*:1])C(N)=O
CC(C)OC(=O)[C@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@H](C(N)=O)[C@@H]1c1ccccc1C(F)(F)F CC(C)OC(=O)[*:1] N#C[C@@]1([C@@H]2C=CC(=CN2[C@H](C(N)=O)[C@@H]1c1ccccc1C(F)(F)F)C(N)=O)[*:1]
CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(COC)cc1 CCC[*:1] COCc1ccc(cc1)C(=O)N(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[*:1]
CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(COC)cc1 COC[*:1] CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(cc1)[*:1]
CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(COC)cc1 COCc1ccc(cc1)[*:1] CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[*:1]
CCN(C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O)c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCN(C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O)[*:1]
Cc1ncc(Cl)c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)n1 CC(C)(C)[*:1] Cc1ncc(Cl)c(n1)C(=O)N(C)CCN(C)C(=O)O[*:1]
Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)[C@@]1(C)CCCN(C1)C(=O)N[*:1]
Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccc(F)cc3)C2)cc1 Cc1ccc(cc1)[*:1] C[C@@]1(CCCN(C1)C(=O)Nc1ccc(F)cc1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccc(F)cc3)C2)cc1 Cc1ccc(cc1)C[*:1] C[C@@]1(CCCN(C1)C(=O)Nc1ccc(F)cc1)C(=O)N[*:1]
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@@H]2CC(=O)NCCc1ccccc1 Clc1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)NCCc2ccccc2)c1[*:1]
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@@H]2CC(=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)N[*:1])c1-c1ccc(Cl)cc1
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@@H]2CC(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)NCC[*:1])c1-c1ccc(Cl)cc1
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@@H]2CC(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)NC[*:1])c1-c1ccc(Cl)cc1
CC[C@@H]1N=NC2=C1CN(C(=O)CCC(=O)Nc1cc(C)ccn1)CC2 Cc1ccnc(c1)[*:1] CC[C@@H]1N=NC2CCN(CC=21)C(=O)CCC(=O)N[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)C3(O)CCCC3)CC2)no1 OC1(CCCC1)[*:1] Cc1cc(no1)NC(=O)CN1CCN(CC1)C(=O)[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)C3(O)CCCC3)CC2)no1 Cc1cc(no1)[*:1] O=C(CN1CCN(CC1)C(=O)C1(O)CCCC1)N[*:1]
COc1cc([C@H](C)[NH2+]CC2(C3CC3)CC2)ccc1F C1CC1[*:1] COc1cc(ccc1F)[C@H](C)[NH2+]CC1(CC1)[*:1]
COc1cc([C@H](C)[NH2+]CC2(C3CC3)CC2)ccc1F C1CC1C1(CC1)[*:1] COc1cc(ccc1F)[C@H](C)[NH2+]C[*:1]
CCOc1c(Br)cc(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])C(=O)N1[C@@H](C)CCC[C@H]1C
CC1CCN(C(=S)SCC(=O)N(C)C)CC1 CN(C)C(=O)[*:1] CC1CCN(CC1)C(=S)SC[*:1]
C[C@H](NC(=O)OCc1ccccc1)C(O)(O)C(=O)CCl c1ccc(cc1)[*:1] C[C@H](NC(=O)OC[*:1])C(O)(O)C(=O)CCl
C[C@H](NC(=O)OCc1ccccc1)C(O)(O)C(=O)CCl O=C(CCl)[*:1] C[C@H](NC(=O)OCc1ccccc1)C(O)(O)[*:1]
COC(=O)CCN(C[C@@H]1CCCO1)c1snc(Cl)c1C#N C1CO[C@@H](C1)[*:1] COC(=O)CCN(C[*:1])c1snc(Cl)c1C#N
COC(=O)CCN(C[C@@H]1CCCO1)c1snc(Cl)c1C#N COC(=O)[*:1] N#Cc1c(Cl)nsc1N(CC[*:1])C[C@@H]1CCCO1
COC(=O)CCN(C[C@@H]1CCCO1)c1snc(Cl)c1C#N C1CO[C@@H](C1)C[*:1] COC(=O)CCN(c1snc(Cl)c1C#N)[*:1]
COC(=O)CCN(C[C@@H]1CCCO1)c1snc(Cl)c1C#N COC(=O)C[*:1] N#Cc1c(Cl)nsc1N(C[C@@H]1CCCO1)C[*:1]
COC(=O)CCN(C[C@@H]1CCCO1)c1snc(Cl)c1C#N COC(=O)CC[*:1] N#Cc1c(Cl)nsc1N(C[C@@H]1CCCO1)[*:1]
Cc1ccc(NC(=O)N2CCC3(CCCCC3)CC2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CCC2(CCCCC2)CC1
CC(C)(C)c1nc(CN2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)no1 CC(C)(C)[*:1] O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(CC1)Cc1noc(n1)[*:1]
C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)nc([O-])n2C1CC1)C(=O)Nc1ccccc1C(F)(F)F C1CC1[*:1] C[C@@H](Sc1nc(nc2c1c(=O)nc([O-])n2C1CC1)[*:1])C(=O)Nc1ccccc1C(F)(F)F
C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)nc([O-])n2C1CC1)C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] C[C@@H](Sc1nc(nc2c1c(=O)nc([O-])n2C1CC1)C1CC1)C(=O)N[*:1]
C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)nc([O-])n2C1CC1)C(=O)Nc1ccccc1C(F)(F)F C1CC1[*:1] C[C@@H](Sc1nc(nc2c1c(=O)nc([O-])n2[*:1])C1CC1)C(=O)Nc1ccccc1C(F)(F)F
C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)nc([O-])n2C1CC1)C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](Sc1nc(nc2c1c(=O)nc([O-])n2C1CC1)C1CC1)C(=O)Nc1ccccc1[*:1]
Cc1nc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)sc1C Cc1nc(sc1C)[*:1] O=C(N[*:1])C1CCN(CC1)c1nc2ccccc2o1
O=C(NCCOc1ccccc1)c1cn(C[C@H]2CCCO2)nn1 C1CO[C@H](C1)C[*:1] O=C(NCCOc1ccccc1)c1cn(nn1)[*:1]
O=C(NCCOc1ccccc1)c1cn(C[C@H]2CCCO2)nn1 c1ccc(cc1)[*:1] O=C(NCCO[*:1])c1cn(C[C@H]2CCCO2)nn1
O=C(NCCOc1ccccc1)c1cn(C[C@H]2CCCO2)nn1 c1ccc(cc1)O[*:1] O=C(NCC[*:1])c1cn(C[C@H]2CCCO2)nn1
O=C1Nc2c(c(=O)oc3ccccc23)[C@H](c2cccc([N+](=O)[O-])c2)N1 O=[N+]([O-])[*:1] O=C1Nc2c(c(=O)oc3ccccc23)[C@@H](N1)c1cccc(c1)[*:1]
O=C(COc1ccccc1Br)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(COc1ccccc1Br)NC[*:1]
C[S@@](=O)c1ccc(NC(=O)N2CCC[C@@H](O)C2)cc1F C[S@@](=O)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])N1CCC[C@@H](O)C1
CCCS(=O)(=O)[N-]c1ccc2c[nH]nc2c1 CCC[*:1] O=S(=O)([N-]c1ccc2c[nH]nc2c1)[*:1]
N#CC1=C(SCc2ccccc2)NC(=O)[C@@H](C#N)C12CCCCC2 c1ccc(cc1)CS[*:1] N#CC1=C(NC(=O)[C@@H](C#N)C12CCCCC2)[*:1]
N#CC1=C(SCc2ccccc2)NC(=O)[C@@H](C#N)C12CCCCC2 c1ccc(cc1)C[*:1] N#CC1=C(NC(=O)[C@@H](C#N)C12CCCCC2)S[*:1]
N#CC1=C(SCc2ccccc2)NC(=O)[C@@H](C#N)C12CCCCC2 c1ccc(cc1)[*:1] N#CC1=C(NC(=O)[C@@H](C#N)C12CCCCC2)SC[*:1]
CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1 CCOC(=O)[*:1] COc1ccc(cc1[N+](=O)[O-])-c1nn(cc1[*:1])-c1ccccc1
CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)c1cn(nc1-c1ccc(OC)c(c1)[*:1])-c1ccccc1
CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CCOC(=O)c1cn(nc1-c1ccc(OC)c(c1)[N+](=O)[O-])[*:1]
CC(C)n1ncnc1C[C@@H](O)c1ccc(Cl)cn1 CC(C)[*:1] O[C@H](Cc1ncnn1[*:1])c1ccc(Cl)cn1
C[C@H]1CCN(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)C[C@H]1O CC(C)(C)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)N[C@@H](COc1ccccc1F)[*:1]
C[C@H]1CCN(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)C[C@H]1O Fc1ccccc1[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)N[C@@H](CO[*:1])C(C)(C)C
C[C@H]1CCN(C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)C[C@H]1O Fc1ccccc1O[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)N[C@@H](C[*:1])C(C)(C)C
Cc1cnc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)o1 FC(F)(F)[*:1] Cc1cnc(CNS(=O)(=O)c2cc(ccc2F)[*:1])o1
Cc1cnc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)o1 Cc1cnc(o1)[*:1] O=S(=O)(NC[*:1])c1cc(ccc1F)C(F)(F)F
Cc1cnc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)o1 Cc1cnc(C[*:1])o1 O=S(=O)(N[*:1])c1cc(ccc1F)C(F)(F)F
Cc1nn(CC(=O)[O-])c(C)c1S(=O)(=O)N1CCC(C)(C)C1 O=C([O-])[*:1] Cc1nn(C[*:1])c(C)c1S(=O)(=O)N1CCC(C)(C)C1
Cc1nn(CC(=O)[O-])c(C)c1S(=O)(=O)N1CCC(C)(C)C1 O=C([O-])C[*:1] Cc1nn(c(C)c1S(=O)(=O)N1CCC(C)(C)C1)[*:1]
Cc1ccccc1-c1cc(O)c2c(c1)CN(c1nc(-c3ccccc3)no1)CCO2 Cc1ccccc1[*:1] Oc1cc(cc2CN(CCOc12)c1nc(no1)-c1ccccc1)[*:1]
Cc1ccccc1-c1cc(O)c2c(c1)CN(c1nc(-c3ccccc3)no1)CCO2 c1ccc(cc1)[*:1] Cc1ccccc1-c1cc(O)c2OCCN(Cc2c1)c1nc(no1)[*:1]
C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1cccc(c1)[*:1]
C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccco2)c1 Brc1ccc(cc1)[*:1] C/C(=N\NS(=O)(=O)[*:1])c1cccc(c1)NC(=O)c1ccco1
C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1cccc(c1)NC(=O)[*:1]
CC(=O)O[C@@H]1C=C2C=C[C@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@@]43CCC(=O)O3)[C@]2(C)CC1 CC(=O)O[*:1] C[C@@]12CC[C@@H](C=C1C=C[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1)[*:1]
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)OCc2nnc(-c3ccccc3)o2)o1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)OCc2nnc(o2)[*:1])o1
CCOCC[NH2+][C@H]1CCO[C@]2(CCSC2)C1 CCO[*:1] C(C[*:1])[NH2+][C@H]1CCO[C@]2(CCSC2)C1
CCOCC[NH2+][C@H]1CCO[C@]2(CCSC2)C1 CCOC[*:1] C1C[C@@H](C[C@@]2(CCSC2)O1)[NH2+]C[*:1]
CCOCC[NH2+][C@H]1CCO[C@]2(CCSC2)C1 CCOCC[*:1] C1C[C@@H](C[C@@]2(CCSC2)O1)[NH2+][*:1]
COc1ccccc1NC(=O)[C@H](Sc1nc(C)cc(N)n1)C(C)C COc1ccccc1[*:1] Cc1cc(N)nc(n1)S[C@@H](C(=O)N[*:1])C(C)C
COc1ccccc1NC(=O)[C@H](Sc1nc(C)cc(N)n1)C(C)C CC(C)[*:1] COc1ccccc1NC(=O)[C@H](Sc1nc(C)cc(N)n1)[*:1]
COc1ccccc1NC(=O)[C@H](Sc1nc(C)cc(N)n1)C(C)C Cc1cc(N)nc(n1)[*:1] COc1ccccc1NC(=O)[C@H](S[*:1])C(C)C
CC[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] CC[C@H](CNC(=O)c1ccc(N)c(c1)[N+](=O)[O-])[*:1]
CC[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Oc1cccc(F)c1 O=[N+]([O-])[*:1] CC[C@H](CNC(=O)c1ccc(N)c(c1)[*:1])Oc1cccc(F)c1
CC[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@H](CNC(=O)c1ccc(N)c(c1)[N+](=O)[O-])O[*:1]
CC[NH+](CC)CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1 O=[N+]([O-])[*:1] CC[NH+](CC)CC1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)[*:1]
CC(=O)c1cc(F)c(C)cc1N(C)Cc1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1cc(F)c(C)cc1N(C)C[*:1]
CC(=O)c1cc(F)c(C)cc1N(C)Cc1ccccc1 CC(=O)[*:1] Cc1cc(c(cc1F)[*:1])N(C)Cc1ccccc1
COc1ccc(-c2c(C(=O)[O-])nnn2-c2ccc3c(c2)OCCO3)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1c(nnn1-c1ccc2OCCOc2c1)[*:1]
COc1ccc(-c2c(C(=O)[O-])nnn2-c2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)[*:1] O=C([O-])c1nnn(-c2ccc3OCCOc3c2)c1[*:1]
CC[C@H](CCO)CNc1nc2ccc(C)cn2n1 CC[C@H](CCO)[*:1] Cc1ccc2nc(nn2c1)NC[*:1]
CC[C@H](CCO)CNc1nc2ccc(C)cn2n1 OCC[*:1] CC[C@H](CNc1nc2ccc(C)cn2n1)[*:1]
CCc1ccc([C@@H](C)C(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)Nc1cccc(c1)C[*:1]
CCc1ccc([C@@H](C)C(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1cccc(c1)CS(C)(=O)=O)[*:1]
CCc1ccc([C@@H](C)C(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1 CS(=O)(=O)C[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cc2ccccc2nc1Cl CN(C)[*:1] O=S(=O)(c1ccc(c(c1)NCc1cc2ccccc2nc1Cl)[*:1])N1CCCCC1
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cc2ccccc2nc1Cl O=S(=O)(N1CCCCC1)[*:1] CN(C)c1ccc(cc1NCc1cc2ccccc2nc1Cl)[*:1]
COc1c(Br)c(C(=O)NC[C@@H](C)c2ccc(F)cc2)nn1C Fc1ccc(cc1)[*:1] COc1c(Br)c(nn1C)C(=O)NC[C@@H](C)[*:1]
CCc1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)c2cccn12 COc1cccc(c1)C[*:1] CCc1nnc(c2cccn12)N1CCN(CC1)C(=O)[*:1]
CCc1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)c2cccn12 COc1cccc(c1)[*:1] CCc1nnc(c2cccn12)N1CCN(CC1)C(=O)C[*:1]
Cc1cc2sc(NC(=O)CC(C)C)nc2cc1Cl CC(C)C[*:1] Cc1cc2sc(nc2cc1Cl)NC(=O)[*:1]
Cc1cc2sc(NC(=O)CC(C)C)nc2cc1Cl CC(C)[*:1] Cc1cc2sc(nc2cc1Cl)NC(=O)C[*:1]
O=C(NCCC[NH+]1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O O=[N+]([O-])[*:1] O=C(NCCC[NH+]1CCOCC1)c1cc2cc(ccc2oc1=O)[*:1]
Cc1cccc(CC(=O)NC2(c3cccc(F)c3)CCOCC2)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1)CC(=O)NC1(CCOCC1)[*:1]
Cc1cccc(CC(=O)NC2(c3cccc(F)c3)CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])NC1(CCOCC1)c1cccc(F)c1
Cc1cccc(CC(=O)NC2(c3cccc(F)c3)CCOCC2)c1 Cc1cccc(c1)C[*:1] O=C(NC1(CCOCC1)c1cccc(F)c1)[*:1]
CCC[C@](C)(CO)NC(=O)N[C@H](C)c1cc(C)ccc1OC CCC[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@](C)(CO)[*:1]
C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1F)[C@@H](O)c1ccc(Cl)cc1 Fc1ccccc1[*:1] C[C@H](NC(=O)N[C@@H]1C[C@H]1[*:1])[C@@H](O)c1ccc(Cl)cc1
C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1F)[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1F)[C@@H](O)[*:1]
C[C@@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)c1ccccc1Cl Fc1cccc(F)c1O[*:1] C[C@@H](NC(=O)c1cc(C[*:1])on1)c1ccccc1Cl
C[C@@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)c1ccccc1Cl Fc1cccc(F)c1[*:1] C[C@@H](NC(=O)c1cc(CO[*:1])on1)c1ccccc1Cl
C[C@@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)[*:1]
C[C@@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)c1ccccc1Cl C[C@@H](c1ccccc1Cl)[*:1] O=C(N[*:1])c1cc(COc2c(F)cccc2F)on1
O=C(CNC(=O)c1ccoc1)Nc1cc(C(F)(F)F)c[nH]c1=O c1cc(co1)[*:1] O=C(CNC(=O)[*:1])Nc1cc(c[nH]c1=O)C(F)(F)F
O=C(CNC(=O)c1ccoc1)Nc1cc(C(F)(F)F)c[nH]c1=O FC(F)(F)[*:1] O=C(CNC(=O)c1ccoc1)Nc1cc(c[nH]c1=O)[*:1]
Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(F)cc2Br)cs1 Cc1occc1[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])Nc1ccc(F)cc1Br
Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(F)cc2Br)cs1 Fc1ccc(c(Br)c1)[*:1] Cc1occc1C(=O)Nc1nc(cs1)CC(=O)N[*:1]
Cc1ccc(C)c([C@H]2OCCC[C@@H]2C[NH2+]CC(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)[C@H]1OCCC[C@@H]1C[NH2+]C[*:1]
Cc1ccc(C)c([C@H]2OCCC[C@@H]2C[NH2+]CC(C)C)c1 CC(C)C[*:1] Cc1ccc(C)c(c1)[C@H]1OCCC[C@@H]1C[NH2+][*:1]
CC(C)C(=O)N1CCN(Cn2nc(/C=C/c3ccccc3)[nH]c2=S)CC1 c1ccc(cc1)[*:1] CC(C)C(=O)N1CCN(CC1)Cn1nc(C=C[*:1])[nH]c1=S
CC(C)C(=O)N1CCN(Cn2nc(/C=C/c3ccccc3)[nH]c2=S)CC1 CC(C)[*:1] O=C(N1CCN(CC1)Cn1nc(/C=C/c2ccccc2)[nH]c1=S)[*:1]
CC(C)C(=O)N1CCN(Cn2nc(/C=C/c3ccccc3)[nH]c2=S)CC1 C(=C[*:1])c1ccccc1 CC(C)C(=O)N1CCN(CC1)Cn1nc([nH]c1=S)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCC1 CC(C)[*:1] O=C(N[C@H](C(=O)NC1CCCC1)[*:1])[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N12
CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N12)C(=O)N[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCC1 CC(C)[C@H](C(=O)NC1CCCC1)[*:1] O=C(N[*:1])[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N12
CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N12)[*:1]
CSc1ncccc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C Fc1cccc(c1)[*:1] CSc1ncccc1C(=O)NC[C@H]([NH+](C)C)[*:1]
COc1cccc(/C(C)=C/C(=O)Oc2ccc(N(C)C(N)=O)cc2)c1 COc1cccc(c1)[*:1] CC(=CC(=O)Oc1ccc(cc1)N(C)C(N)=O)[*:1]
COc1cccc(/C(C)=C/C(=O)Oc2ccc(N(C)C(N)=O)cc2)c1 CN(C(N)=O)[*:1] COc1cccc(c1)/C(C)=C/C(=O)Oc1ccc(cc1)[*:1]
COc1ccc(C(=O)N2CCC[C@H](Cc3nccs3)C2)cc1 c1csc(n1)[*:1] COc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C[*:1]
COc1ccc(C(=O)N2CCC[C@H](Cc3nccs3)C2)cc1 c1csc(C[*:1])n1 COc1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1]
COc1ccc(CN(C)C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)CN(C)C(=O)C1CCN(CC1)C(=O)O[*:1]
Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3ccccc3C)ccc2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1ccccc1NC(=O)[C@@H](C)Sc1ccc(=O)n(n1)[*:1]
Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3ccccc3C)ccc2=O)cc1Cl Cc1ccccc1[*:1] Cc1ccc(cc1Cl)-n1nc(ccc1=O)S[C@H](C)C(=O)N[*:1]
O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)N[*:1]
O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NC[*:1]
O=C(c1ccc([C@@H]2CCCN2C(=O)[C@@H]2C=CC=N2)s1)N1CCSCC1 O=C(N1CCSCC1)[*:1] O=C([C@@H]1C=CC=N1)N1CCC[C@H]1c1ccc(s1)[*:1]
Cc1ccnc2nc(C(=O)N(CCC[NH+](C)C)Cc3ccccc3)nn12 c1ccc(cc1)[*:1] Cc1ccnc2nc(nn12)C(=O)N(CCC[NH+](C)C)C[*:1]
Cc1ccnc2nc(C(=O)N(CCC[NH+](C)C)Cc3ccccc3)nn12 c1ccc(cc1)C[*:1] Cc1ccnc2nc(nn12)C(=O)N(CCC[NH+](C)C)[*:1]
Cc1ccsc1CNC(=O)C[NH2+]C1CC1 C1CC1[*:1] Cc1ccsc1CNC(=O)C[NH2+][*:1]
CC[NH2+][C@]1(C(=O)OC)CCC[C@@H](OC)C1 COC(=O)[*:1] CC[NH2+][C@@]1(CCC[C@H](C1)OC)[*:1]
Cc1cc(NC(=O)C(=O)c2ccc(C(C)(C)C)cc2)n(C)n1 CC(C)(C)[*:1] Cc1cc(NC(=O)C(=O)c2ccc(cc2)[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)c2ccc(C(C)(C)C)cc2)n(C)n1 Cc1cc(n(C)n1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)C(=O)N[*:1]
Cc1cc(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3)CC2)ccc1F Cc1cc(ccc1F)[*:1] O=S(=O)(NCC[NH+]1CCN(CC1)c1ccccc1)[*:1]
Cc1cc(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3)CC2)ccc1F c1ccc(cc1)[*:1] Cc1cc(ccc1F)S(=O)(=O)NCC[NH+]1CCN(CC1)[*:1]
COc1ccc(CC(=O)Nc2nnc(-c3cc4cccc(OC)c4o3)o2)cc1 COc1ccc(cc1)C[*:1] COc1cccc2cc(oc12)-c1nnc(NC(=O)[*:1])o1
COc1ccc(CC(=O)Nc2nnc(-c3cc4cccc(OC)c4o3)o2)cc1 COc1ccc(cc1)[*:1] COc1cccc2cc(oc12)-c1nnc(NC(=O)C[*:1])o1
Cc1ccccc1CNC(=O)CO/N=C(\N)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccccc1CNC(=O)CO/N=C(\N)c1cccc(c1)[*:1]
Cc1ccccc1CNC(=O)CO/N=C(\N)c1cccc(C(F)(F)F)c1 Cc1ccccc1C[*:1] N/C(=N\OCC(=O)N[*:1])c1cccc(c1)C(F)(F)F
Cc1ccccc1CNC(=O)CO/N=C(\N)c1cccc(C(F)(F)F)c1 Cc1ccccc1[*:1] N/C(=N\OCC(=O)NC[*:1])c1cccc(c1)C(F)(F)F
Cc1ccsc1[C@H](Cc1ccccc1)NCc1cccc(N(C)C)[nH+]1 CN(C)[*:1] Cc1ccsc1[C@H](Cc1ccccc1)NCc1cccc([nH+]1)[*:1]
Cc1ccsc1[C@H](Cc1ccccc1)NCc1cccc(N(C)C)[nH+]1 Cc1ccsc1[*:1] CN(C)c1cccc(CN[C@@H](Cc2ccccc2)[*:1])[nH+]1
Cc1ccsc1[C@H](Cc1ccccc1)NCc1cccc(N(C)C)[nH+]1 c1ccc(cc1)C[*:1] Cc1ccsc1[C@H](NCc1cccc([nH+]1)N(C)C)[*:1]
Cc1ccsc1[C@H](Cc1ccccc1)NCc1cccc(N(C)C)[nH+]1 c1ccc(cc1)[*:1] Cc1ccsc1[C@H](C[*:1])NCc1cccc([nH+]1)N(C)C
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(C)cc(O)c2)C1 CCNS(=O)(=O)[*:1] Cc1cc(O)cc(c1)C(=O)N1CC[C@@H](C1)[*:1]
Cc1nn(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C/c2ccccc2)c(C)c1C Cc1nn(c(C)c1C)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2C/C=C/c1ccccc1)[*:1]
Cc1nn(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C/c2ccccc2)c(C)c1C c1ccc(cc1)[*:1] Cc1nn(c(C)c1C)-c1nc2c(c(=O)[nH]c(=O)n2C)n1CC=C[*:1]
Cc1nn(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C/c2ccccc2)c(C)c1C C(=C/c1ccccc1)\C[*:1] Cc1nn(c(C)c1C)-c1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
Cc1nn(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C/c2ccccc2)c(C)c1C C(=C[*:1])c1ccccc1 Cc1nn(c(C)c1C)-c1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
CCOc1ccc([C@H](CC[C@@H]2CCCCO2)[NH2+]C)c(Br)c1 C1CC[C@@H](C[*:1])OC1 CCOc1ccc(c(Br)c1)[C@H](C[*:1])[NH2+]C
CCOc1ccc([C@H](CC[C@@H]2CCCCO2)[NH2+]C)c(Br)c1 C1CC[C@H](OC1)[*:1] CCOc1ccc(c(Br)c1)[C@H](CC[*:1])[NH2+]C
CCOc1ccc([C@H](CC[C@@H]2CCCCO2)[NH2+]C)c(Br)c1 CCO[*:1] C[NH2+][C@@H](CC[C@@H]1CCCCO1)c1ccc(cc1Br)[*:1]
CCNC(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C CCNC(=O)[*:1] COc1cccc(/C=C(\n2nnnc2C)[*:1])c1
CCNC(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C Cc1nnnn1[*:1] CCNC(=O)C(=Cc1cccc(c1)OC)[*:1]
C[C@H](NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1)C(=O)NC(C)(C)C C[C@H](C(=O)NC(C)(C)C)[*:1] C[C@@H](NC(=O)N[*:1])c1noc(Cc2ccccc2)n1
C[C@H](NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1)C(=O)N[*:1]
C[C@H](NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1)[*:1]
C[C@H](NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1)C(=O)NC(C)(C)C c1ccc(cc1)C[*:1] C[C@H](NC(=O)N[C@H](C)c1noc(n1)[*:1])C(=O)NC(C)(C)C
C[C@H](NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1)C(=O)NC(C)(C)C c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H](C)c1noc(C[*:1])n1)C(=O)NC(C)(C)C
C[C@@H](c1nc2ccccc2s1)N1CC[NH+](Cn2nc(-c3ccccc3)[nH]c2=S)CC1 c1ccc(cc1)[*:1] C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CC1)Cn1nc([nH]c1=S)[*:1]
C[C@@H](c1nc2ccccc2s1)N1CC[NH+](Cn2nc(-c3ccccc3)[nH]c2=S)CC1 c1ccc2sc(nc2c1)[*:1] C[C@@H](N1CC[NH+](CC1)Cn1nc([nH]c1=S)-c1ccccc1)[*:1]
COC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 FC(F)(F)[*:1] COC(=O)CSc1nc(cc(n1)[*:1])-c1ccc(cc1)OC
COC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 COC(=O)C[*:1] COc1ccc(cc1)-c1cc(nc(n1)S[*:1])C(F)(F)F
COC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 COC(=O)CS[*:1] COc1ccc(cc1)-c1cc(nc(n1)[*:1])C(F)(F)F
COC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 COc1ccc(cc1)[*:1] COC(=O)CSc1nc(cc(n1)[*:1])C(F)(F)F
COC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 COC(=O)[*:1] COc1ccc(cc1)-c1cc(nc(n1)SC[*:1])C(F)(F)F
NOCc1ccc([N+](=O)[O-])cc1Cl NOC[*:1] O=[N+]([O-])c1ccc(c(Cl)c1)[*:1]
NOCc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] NOCc1ccc(cc1Cl)[*:1]
CN(C)C(=O)Nc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 CN(C)C(=O)N[*:1] O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(c1)[*:1]
CN(C)C(=O)Nc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CN(C)C(=O)Nc1cccc(c1)C(=O)N[C@H](CC(F)(F)F)[*:1]
CN(C)C(=O)Nc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 FC(F)(F)C[*:1] CN(C)C(=O)Nc1cccc(c1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CN(C)C(=O)Nc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 FC(F)(F)[*:1] CN(C)C(=O)Nc1cccc(c1)C(=O)N[C@H](C[*:1])c1ccc(F)cc1
CCOC(=O)c1cncc(-c2ccc(CO)cc2)c1 CCOC(=O)[*:1] OCc1ccc(cc1)-c1cncc(c1)[*:1]
COc1ccc(OC)c(CCNC(=O)c2csnn2)c1 c1snnc1[*:1] COc1ccc(OC)c(c1)CCNC(=O)[*:1]
CCCCN1C(=O)[C@@H]2CCCCN2C(=O)[C@@H]1CC CCCC[*:1] CC[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1[*:1]
CCCCN1C(=O)[C@@H]2CCCCN2C(=O)[C@@H]1CC CCC[*:1] CC[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1C[*:1]
O=C(NCCc1cnn(-c2ccccc2)c1)N1CCC[C@@H](CCO)C1 c1ccc(cc1)[*:1] O=C(NCCc1cnn(c1)[*:1])N1CCC[C@@H](CCO)C1
O=C(NCCc1cnn(-c2ccccc2)c1)N1CCC[C@@H](CCO)C1 OCC[*:1] O=C(NCCc1cnn(c1)-c1ccccc1)N1CCC[C@@H](C1)[*:1]
CCC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 O=C([O-])[*:1] CCC[C@]1(CCN(C1)C(=O)[C@@H]1CC[NH2+][C@@H]1C)[*:1]
CCC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 CCC[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@](C1)(C(=O)[O-])[*:1]
Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)o1 Cc1ccc(o1)[*:1] C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)[*:1]
CSCC[C@H](C)NC(=O)c1ccc(OC(C)(C)C)cc1 CSC[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(cc1)OC(C)(C)C
CSCC[C@H](C)NC(=O)c1ccc(OC(C)(C)C)cc1 CSCC[*:1] C[C@H](NC(=O)c1ccc(cc1)OC(C)(C)C)[*:1]
CSCC[C@H](C)NC(=O)c1ccc(OC(C)(C)C)cc1 CC(C)(C)O[*:1] CSCC[C@H](C)NC(=O)c1ccc(cc1)[*:1]
CSCC[C@H](C)NC(=O)c1ccc(OC(C)(C)C)cc1 CC(C)(C)[*:1] CSCC[C@H](C)NC(=O)c1ccc(cc1)O[*:1]
CSCC[C@H](C)NC(=O)c1ccc(OC(C)(C)C)cc1 CSCC[C@H](C)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)N[*:1]
CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)CC1 c1cnn(c1)[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)N[C@H](C)c1cccc(c1)[*:1]
CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)CC1 CC(C)[*:1] C[C@@H](NC(=O)N1CC[NH+](CC1)C[*:1])c1cccc(c1)-n1cccn1
CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)CC1 CC(C)C[*:1] C[C@@H](NC(=O)N1CC[NH+](CC1)[*:1])c1cccc(c1)-n1cccn1
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CCC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CCC[C@H](C1)[*:1]
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CCC[C@H](C(=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H](Oc1ccccc1[*:1])C(=O)N1CCC[C@@H](C1)C(=O)[O-]
Cc1[nH+]ccn1CCNC(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1[nH+]ccn1CCNC(=O)c1ccccc1[*:1]
CC(=O)N1CCc2cc(C(=O)N3CCO[C@H](c4cc(F)c(Cl)cc4Cl)C3)ccc21 Fc1cc(c(Cl)cc1Cl)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N1CCO[C@H](C1)[*:1]
C[C@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCC(=O)O2)C1 O=C1CC[C@H](O1)[*:1] C[C@H]1CCC[C@@](C#N)(C1)NC(=O)[*:1]
CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[NH+](CC)[C@@H](C)CNC(=O)N(C)C[*:1]
N#CC[C@@H](O)c1cn2ccccc2n1 N#CC[*:1] O[C@@H](c1cn2ccccc2n1)[*:1]
Cc1c(C(=O)NCc2cccc(Cl)c2)sc2ncnc(NC[C@@H]3CCCO3)c12 Clc1cccc(c1)[*:1] Cc1c(sc2ncnc(NC[C@@H]3CCCO3)c12)C(=O)NC[*:1]
Cc1c(C(=O)NCc2cccc(Cl)c2)sc2ncnc(NC[C@@H]3CCCO3)c12 Clc1cccc(c1)C[*:1] Cc1c(sc2ncnc(NC[C@@H]3CCCO3)c12)C(=O)N[*:1]
O=C(OCCCc1nc2ccccc2s1)C1CCN(c2nc3ccccc3o2)CC1 c1ccc2oc(nc2c1)[*:1] O=C(OCCCc1nc2ccccc2s1)C1CCN(CC1)[*:1]
O=C(OCCCc1nc2ccccc2s1)C1CCN(c2nc3ccccc3o2)CC1 c1ccc2sc(C[*:1])nc2c1 O=C(OCC[*:1])C1CCN(CC1)c1nc2ccccc2o1
O=C(OCCCc1nc2ccccc2s1)C1CCN(c2nc3ccccc3o2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(OCCC[*:1])C1CCN(CC1)c1nc2ccccc2o1
Cc1nc(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cs1 FC(F)(F)[*:1] Cc1nc(cs1)CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1[*:1]
Cc1nc(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
Cc1nc(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cs1 Cc1nc(cs1)C[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[*:1]
N#Cc1c(OCC(N)=O)nc(-c2ccco2)c2c1CCC2 NC(=O)C[*:1] N#Cc1c(nc(-c2ccco2)c2CCCc12)O[*:1]
N#Cc1c(OCC(N)=O)nc(-c2ccco2)c2c1CCC2 NC(=O)[*:1] N#Cc1c(nc(-c2ccco2)c2CCCc12)OC[*:1]
N#Cc1c(OCC(N)=O)nc(-c2ccco2)c2c1CCC2 c1coc(c1)[*:1] N#Cc1c(nc(c2CCCc12)[*:1])OCC(N)=O
N#Cc1c(OCC(N)=O)nc(-c2ccco2)c2c1CCC2 NC(=O)CO[*:1] N#Cc1c(nc(-c2ccco2)c2CCCc12)[*:1]
CCC(CC)(NC(=O)NC1CCC(C)(C)CC1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)NC1CCC(C)(C)CC1)[*:1]
CCCn1c(C)nnc1S[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl CCC[*:1] Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(C)n2[*:1])c(Cl)c1
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 CC(C)[*:1] C[C@@H](NC(=O)[C@@H]([NH2+]C1CCOCC1)[*:1])c1ccc2OCCOc2c1
CSc1ccc2nc(NC(=O)CCSc3ccc(C)cc3)sc2c1 Cc1ccc(cc1)S[*:1] CSc1ccc2nc(NC(=O)CC[*:1])sc2c1
CSc1ccc2nc(NC(=O)CCSc3ccc(C)cc3)sc2c1 Cc1ccc(cc1)[*:1] CSc1ccc2nc(NC(=O)CCS[*:1])sc2c1
CC(C)(C)C(=O)N1CCCn2nc(-c3ccncc3)cc2C1 CC(C)(C)[*:1] O=C(N1CCCn2nc(cc2C1)-c1ccncc1)[*:1]
CC(C)(C)C(=O)N1CCCn2nc(-c3ccncc3)cc2C1 c1cc(ccn1)[*:1] CC(C)(C)C(=O)N1CCCn2nc(cc2C1)[*:1]
C[C@@H](CCCO)NC(=O)c1ccc(C(N)=O)cc1 OCC[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(cc1)C(N)=O
C[C@@H](CCCO)NC(=O)c1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@@H](CCCO)NC(=O)c1ccc(cc1)[*:1]
C[C@@H](CCCO)NC(=O)c1ccc(C(N)=O)cc1 OCCC[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(N)=O)[*:1]
C[C@@H](CCCO)NC(=O)c1ccc(C(N)=O)cc1 C[C@@H](CCCO)[*:1] NC(=O)c1ccc(cc1)C(=O)N[*:1]
O=C(CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)N[*:1]
O=C(CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)NC[*:1]
CC1CCN(/C(N)=[NH+]/C2CC2)CC1 C1CC1[*:1] CC1CCN(CC1)C(N)=[NH+][*:1]
CCc1cnc(NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)s1 CCc1cnc(s1)[*:1] CC[C@@H](NC(=O)N[*:1])c1cccc(c1)[N+](=O)[O-]
CCc1cnc(NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] CCc1cnc(NC(=O)N[C@H](CC)c2cccc(c2)[*:1])s1
C[C@H](Sc1nc2ccccc2c(=O)n1C)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1C)c1ccc(cc1)[*:1]
C[C@H](Sc1nc2ccccc2c(=O)n1C)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1C)c1ccc(cc1)O[*:1]
CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)c1 CC[C@@H](C)O[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CCOc1ccccc1NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O CCO[*:1] CS(=O)(=O)N(CC(=O)Nc1ccccc1[*:1])c1cccc2ccccc12
CCOc1ccccc1NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O CCOc1ccccc1[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1cccc2ccccc12
CN(C)C(=O)CNC(=O)Nc1ccc(F)cc1Cl CN(C)C(=O)C[*:1] O=C(Nc1ccc(F)cc1Cl)N[*:1]
CN(C)C(=O)CNC(=O)Nc1ccc(F)cc1Cl CN(C)C(=O)[*:1] O=C(NC[*:1])Nc1ccc(F)cc1Cl
C#CCn1cc(C[NH+](C)Cc2c(C(C)C)nn(C)c2Cl)cn1 CC(C)[*:1] C#CCn1cc(cn1)C[NH+](C)Cc1c(nn(C)c1Cl)[*:1]
C#CCn1cc(C[NH+](C)Cc2c(C(C)C)nn(C)c2Cl)cn1 C#CC[*:1] CC(C)c1nn(C)c(Cl)c1C[NH+](C)Cc1cnn(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CC1CCCC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN(C)C(=O)CC1CCCC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CC1CCCC1 C1CCC(C1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CC1CCCC1 C1CCC(C1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[*:1]
Cc1nn(C)c(C)c1CC(=O)O[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1nn(C)c(C)c1CC(=O)O[C@H](C)[*:1]
CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)C1 CCS[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)N(C)[C@@H]1CC[C@H](C1)[*:1]
CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)C1 COc1ccc(cc1)[*:1] CCS[C@@H]1CC[C@H](C1)N(C)C(=O)c1cc(C)n(n1)[*:1]
C[C@@H](OC(=O)[C@@H](C)N1CCc2ccccc2C1)c1nccs1 c1csc(n1)[*:1] C[C@H](C(=O)O[C@H](C)[*:1])N1CCc2ccccc2C1
C[C@@H](OC(=O)[C@@H](C)N1CCc2ccccc2C1)c1nccs1 C[C@@H](c1nccs1)[*:1] C[C@H](C(=O)O[*:1])N1CCc2ccccc2C1
COC(=O)c1ccc(NC(=O)[C@@H]2c3cc(F)ccc3CCN2C(=O)OC)cc1 COC(=O)[*:1] COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CCc1nn(C)cc1NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 Cc1nn(C)c(C)c1[*:1] CCc1nn(C)cc1NC(=O)c1cc(n[nH]1)[*:1]
CCc1nn(C)cc1NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 CCc1nn(C)cc1[*:1] Cc1nn(C)c(C)c1-c1cc([nH]n1)C(=O)N[*:1]
O=C(CCOc1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1ccc(cc1)OCC[*:1] O=C(N1CCN(CC1)Cc1ccc2OCCc2c1)[*:1]
O=C(CCOc1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1ccc(cc1)[*:1] O=C(CCO[*:1])N1CCN(CC1)Cc1ccc2OCCc2c1
O=C(CCOc1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1cc2OCCc2cc1[*:1] O=C(CCOc1ccccc1)N1CCN(CC1)C[*:1]
O=C(CCOc1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1ccc(cc1)O[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1ccc2OCCc2c1
O=C(CCOc1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1ccc(cc1)OC[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccc2OCCc2c1
Cc1cncc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])c1ccccc1SC[C@@H]1CCCO1
Cc1sc2nc(CS[C@H](C)C(=O)N(Cc3ccccn3)c3ccc(F)cc3)[nH]c(=O)c2c1C c1ccc(nc1)[*:1] Cc1sc2nc(CS[C@H](C)C(=O)N(C[*:1])c3ccc(F)cc3)[nH]c(=O)c2c1C
Cc1sc2nc(CS[C@H](C)C(=O)N(Cc3ccccn3)c3ccc(F)cc3)[nH]c(=O)c2c1C Fc1ccc(cc1)[*:1] Cc1sc2nc(CS[C@H](C)C(=O)N(Cc3ccccn3)[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CS[C@H](C)C(=O)N(Cc3ccccn3)c3ccc(F)cc3)[nH]c(=O)c2c1C c1ccc(C[*:1])nc1 Cc1sc2nc(CS[C@H](C)C(=O)N(c3ccc(F)cc3)[*:1])[nH]c(=O)c2c1C
COC(=O)c1cc(NC(=O)CCc2nnc(-c3ccoc3C)o2)ccc1C COC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)CCc1nnc(o1)-c1ccoc1C
COC(=O)c1cc(NC(=O)CCc2nnc(-c3ccoc3C)o2)ccc1C Cc1occc1[*:1] COC(=O)c1cc(ccc1C)NC(=O)CCc1nnc(o1)[*:1]
Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccnn3C)cn2)cc1C Cc1ccc(cc1C)O[*:1] Cn1nccc1CNC(=O)C(=O)Nc1ccc(nc1)[*:1]
Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccnn3C)cn2)cc1C Cc1ccc(cc1C)[*:1] Cn1nccc1CNC(=O)C(=O)Nc1ccc(nc1)O[*:1]
Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccnn3C)cn2)cc1C Cn1nccc1C[*:1] Cc1ccc(cc1C)Oc1ccc(cn1)NC(=O)C(=O)N[*:1]
Cc1ccc(Oc2ccc(NC(=O)C(=O)NCc3ccnn3C)cn2)cc1C Cn1nccc1[*:1] Cc1ccc(cc1C)Oc1ccc(cn1)NC(=O)C(=O)NC[*:1]
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1N=C(C[C@H]1[*:1])c1ccco1
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 c1coc(c1)[*:1] O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1N=C(C[C@@H]1c1cccs1)[*:1]
CN(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CN(C(=O)CSc1ncnc2sc(cc12)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc(-n2cncn2)ccc1C(=O)Nc1ncnc2oc(C)c(C)c12 c1ncn(n1)[*:1] Cc1cc(ccc1C(=O)Nc1ncnc2oc(C)c(C)c12)[*:1]
CCOc1ccccc1[C@H]1c2cc3c(cc2O[C@@](C)(O)[C@H]1C)OCO3 CCO[*:1] C[C@H]1[C@H](c2cc3OCOc3cc2O[C@@]1(C)O)c1ccccc1[*:1]
CCC(=O)Nc1cccc(-n2cnnc2)c1 CCC(=O)N[*:1] c1cc(cc(c1)[*:1])-n1cnnc1
CCC(=O)Nc1cccc(-n2cnnc2)c1 c1nncn1[*:1] CCC(=O)Nc1cccc(c1)[*:1]
Cc1nn(C)c2c(N3CCOCC3)nc(C3CC3)nc12 C1CN(CCO1)[*:1] Cc1nn(C)c2c(nc(nc12)C1CC1)[*:1]
Cc1nn(C)c2c(N3CCOCC3)nc(C3CC3)nc12 C1CC1[*:1] Cc1nn(C)c2c(nc(nc12)[*:1])N1CCOCC1
C[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] O=[N+]([O-])[*:1] C[C@H](Cc1ccc(cc1)[*:1])C(=O)[O-]
C[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](Cc1ccc(cc1)[N+](=O)[O-])[*:1]
CCOc1cc(C(N)=O)ccc1OCc1ccccc1Cl NC(=O)[*:1] CCOc1cc(ccc1OCc1ccccc1Cl)[*:1]
CCOc1cc(C(N)=O)ccc1OCc1ccccc1Cl Clc1ccccc1[*:1] CCOc1cc(ccc1OC[*:1])C(N)=O
CCOc1cc(C(N)=O)ccc1OCc1ccccc1Cl CCO[*:1] NC(=O)c1ccc(OCc2ccccc2Cl)c(c1)[*:1]
C#CCOC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 C#CCOC(=O)[*:1] O=S(=O)(c1ccc2ccccc2c1)N1CCC(CC1)[*:1]
C#CCOC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 C#CC[*:1] O=C(O[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Cc1cc([C@@H](C[NH3+])NC[C@@]2(C)CCCO2)c(C)s1 C[C@]1(CCCO1)[*:1] Cc1cc(c(C)s1)[C@@H](C[NH3+])NC[*:1]
CCOC(=O)[C@@H]1Oc2ccc(F)cc2Sc2ccccc21 CCOC(=O)[*:1] Fc1ccc2O[C@H](c3ccccc3Sc2c1)[*:1]
CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCNC(=O)c1ccc(cc1)C(C)(C)C
CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc(cc1)[*:1]
CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 c1ccc(cc1)C[*:1] CN(C(=O)CCNC(=O)c1ccc(cc1)C(C)(C)C)[*:1]
CCCC1=C(C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C CCC[*:1] CCOC(=O)C1=C(N(C)C(=O)N[C@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
CCCC1=C(C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C CCOC(=O)[*:1] CCCC1=C([C@@H](NC(=O)N1C)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCCC1=C(C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C O=[N+]([O-])[*:1] CCCC1=C(C(=O)OCC)[C@@H](NC(=O)N1C)c1ccc(cc1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C)Cc1csc(n1)-c1ccc(cc1)C(N)=O
C[C@@H](CS(C)(=O)=O)N(C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 NC(=O)[*:1] C[C@@H](CS(C)(=O)=O)N(C)Cc1csc(n1)-c1ccc(cc1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 CS(=O)(=O)C[*:1] C[C@@H](N(C)Cc1csc(n1)-c1ccc(cc1)C(N)=O)[*:1]
Cc1ccsc1C(=O)OCC(=O)NCc1ccc(F)c(Cl)c1 Cc1ccsc1[*:1] O=C(COC(=O)[*:1])NCc1ccc(F)c(Cl)c1
C=CCc1ccc(OCc2nc3cc(C)ccc3[nH]2)cc1 C=CC[*:1] Cc1ccc2[nH]c(COc3ccc(cc3)[*:1])nc2c1
Cc1c(C(=O)[O-])nnn1-c1ccc(Cl)cc1[N+](=O)[O-] O=C([O-])[*:1] Cc1c(nnn1-c1ccc(Cl)cc1[N+](=O)[O-])[*:1]
Cc1c(C(=O)[O-])nnn1-c1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(nnn1-c1ccc(Cl)cc1[*:1])C(=O)[O-]
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CCC[NH3+] [NH3+]CCC[*:1] Cc1nn(-c2ccc(Cl)cc2)c(C)c1[*:1]
O=C(Oc1ccc(-n2cnnn2)cc1)c1ccsc1 c1nnnn1[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccsc1
O=C(Oc1ccc(-n2cnnn2)cc1)c1ccsc1 c1cc(cs1)[*:1] O=C(Oc1ccc(cc1)-n1cnnn1)[*:1]
CCC(CC)N(CCOC)C(=O)[C@H]1CC[NH2+][C@@H]1C CCC(CC)[*:1] COCCN(C(=O)[C@H]1CC[NH2+][C@@H]1C)[*:1]
CCC(CC)N(CCOC)C(=O)[C@H]1CC[NH2+][C@@H]1C COCC[*:1] CCC(CC)N(C(=O)[C@H]1CC[NH2+][C@@H]1C)[*:1]
CCC(CC)N(CCOC)C(=O)[C@H]1CC[NH2+][C@@H]1C COC[*:1] CCC(CC)N(C[*:1])C(=O)[C@H]1CC[NH2+][C@@H]1C
CCOC(=O)[C@@H](C)N(C)Cc1ccc(F)c(OC)c1 CCOC(=O)[*:1] COc1cc(ccc1F)CN(C)[C@H](C)[*:1]
CC(C)N1CCC[C@@]2(CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)C1=O c1ccc(nc1)[*:1] CC(C)N1CCC[C@@]2(CCN(C2)C(=O)c2cc(n[nH]2)[*:1])C1=O
CC(C)N1CCC[C@@]2(CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)C1=O CC(C)[*:1] O=C(c1cc(n[nH]1)-c1ccccn1)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
Cn1cnnc1C1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 Cn1cnnc1[*:1] Fc1ccc2oc(cc2c1)C[NH+]1CCC(CC1)[*:1]
C[C@H]([NH2+][C@H](C)CCCO)c1cnccn1 OCCC[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1cnccn1
C[C@H]([NH2+][C@H](C)CCCO)c1cnccn1 OCC[*:1] C[C@H]([NH2+][C@H](C)C[*:1])c1cnccn1
O=C(CC[NH+]1CCN(c2cnccn2)CC1)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)c1cnccn1)Nc1ccccc1[*:1]
O=C(CC[NH+]1CCN(c2cnccn2)CC1)Nc1ccccc1-c1ccccc1 c1cnc(cn1)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])Nc1ccccc1-c1ccccc1
Cc1nnc2ccc(C(=O)NC[C@@H]3CC(=O)N(Cc4ccccc4)C3)cn12 c1ccc(cc1)[*:1] Cc1nnc2ccc(cn12)C(=O)NC[C@@H]1CC(=O)N(C1)C[*:1]
Cc1nnc2ccc(C(=O)NC[C@@H]3CC(=O)N(Cc4ccccc4)C3)cn12 c1ccc(cc1)C[*:1] Cc1nnc2ccc(cn12)C(=O)NC[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3cccc(Cn4ccnc4)c3)[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)Nc2cccc(c2)Cn2ccnc2)[C@@H]1[*:1]
Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3cccc(Cn4ccnc4)c3)[C@H]2c2cccs2)cc1 c1cn(cn1)C[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)Nc2cccc(c2)[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3cccc(Cn4ccnc4)c3)[C@H]2c2cccs2)cc1 c1cn(cn1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)Nc2cccc(c2)C[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3cccc(Cn4ccnc4)c3)[C@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)Cn1ccnc1)[C@H]1CC(=O)N([C@@H]1c1cccs1)[*:1]
Nc1c(-c2ccccn2)nsc1C(=O)NCCc1ccccc1 c1ccc(nc1)[*:1] Nc1c(nsc1C(=O)NCCc1ccccc1)[*:1]
Nc1c(-c2ccccn2)nsc1C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] Nc1c(nsc1C(=O)NCC[*:1])-c1ccccn1
Nc1c(-c2ccccn2)nsc1C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] Nc1c(nsc1C(=O)NC[*:1])-c1ccccn1
CCOC(=O)c1nnsc1Nc1ccccc1N CCOC(=O)[*:1] Nc1ccccc1Nc1snnc1[*:1]
CC(C)(C)[C@H]1CCc2c(C(=O)N/N=C/c3ccoc3)csc2C1 CC(C)(C)[*:1] O=C(N/N=C/c1ccoc1)c1csc2C[C@H](CCc12)[*:1]
CC(C)(C)[C@H]1CCc2c(C(=O)N/N=C/c3ccoc3)csc2C1 c1cc(co1)[*:1] CC(C)(C)[C@H]1CCc2c(csc2C1)C(=O)NN=C[*:1]
Cc1nn(C)cc1CN(C)C(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O Cc1nn(C)cc1C[*:1] CN(C(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O)[*:1]
Cc1nn(C)cc1CN(C)C(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O Cc1nn(C)cc1[*:1] CN(C[*:1])C(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O
Cc1cccc2c(CCC(=O)N(C)C[C@@H](O)C3CC3)c[nH]c12 C1CC1[*:1] Cc1cccc2c(c[nH]c12)CCC(=O)N(C)C[C@@H](O)[*:1]
Cc1cc(NC(=O)CCSCc2c(C)nn(C)c2Cl)no1 Cc1cc(no1)[*:1] Cc1nn(C)c(Cl)c1CSCCC(=O)N[*:1]
O=C(NC[C@](O)(c1ccco1)C1CC1)C1CCC1 c1coc(c1)[*:1] O=C(NC[C@](O)(C1CC1)[*:1])C1CCC1
O=C(NC[C@](O)(c1ccco1)C1CC1)C1CCC1 C1CC(C1)[*:1] O=C(NC[C@](O)(c1ccco1)C1CC1)[*:1]
O=C(NC[C@](O)(c1ccco1)C1CC1)C1CCC1 C1CC1[*:1] O=C(NC[C@](O)(c1ccco1)[*:1])C1CCC1
COc1c(C)cnc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1C Cc1ccc(cc1)[*:1] COc1c(C)cnc(CN(C)C(=O)CN(C)S(=O)(=O)[*:1])c1C
CC1=c2ccccc2=[NH+][C@@H]1CN(C)C[C@@H]1C=N[C@H](S(C)(=O)=O)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC1=c2ccccc2=[NH+][C@@H]1CN(C)C[C@@H]1C=N[C@@H](N1C[*:1])S(C)(=O)=O
CC1=c2ccccc2=[NH+][C@@H]1CN(C)C[C@@H]1C=N[C@H](S(C)(=O)=O)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC1=c2ccccc2=[NH+][C@@H]1CN(C)C[C@@H]1C=N[C@@H](N1[*:1])S(C)(=O)=O
CC1=c2ccccc2=[NH+][C@@H]1CN(C)C[C@@H]1C=N[C@H](S(C)(=O)=O)N1C[C@@H]1CCCO1 CS(=O)(=O)[*:1] CC1=c2ccccc2=[NH+][C@@H]1CN(C)C[C@@H]1C=N[C@H](N1C[C@@H]1CCCO1)[*:1]
C#CCOc1ccccc1/C=N/NC(=O)[C@@H](OC)c1ccccc1 C#CC[*:1] CO[C@H](C(=O)N/N=C/c1ccccc1O[*:1])c1ccccc1
C#CCOc1ccccc1/C=N/NC(=O)[C@@H](OC)c1ccccc1 C#CCO[*:1] CO[C@H](C(=O)N/N=C/c1ccccc1[*:1])c1ccccc1
C#CCOc1ccccc1/C=N/NC(=O)[C@@H](OC)c1ccccc1 c1ccc(cc1)[*:1] C#CCOc1ccccc1/C=N/NC(=O)[C@@H](OC)[*:1]
O=C([O-])c1cccn1Cc1ccc(F)c(Br)c1 O=C([O-])[*:1] Fc1ccc(cc1Br)Cn1cccc1[*:1]
O=C(NCCC1=c2ccccc2=[NH+]C1)c1ccc2c(c1)[C@H](c1ccccc1)ON2 c1ccc(cc1)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)c1ccc2NO[C@@H](c2c1)[*:1]
COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C CC(C)C[*:1] COc1cc(ccc1OC[*:1])[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1nnc(C)s1
COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C CC(C)[*:1] COc1cc(ccc1OCC[*:1])[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1nnc(C)s1
COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C CC(C)CCO[*:1] COc1cc(ccc1[*:1])[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1nnc(C)s1
COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C Cc1nnc(s1)[*:1] COc1cc(ccc1OCCC(C)C)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C CC(C)CC[*:1] COc1cc(ccc1O[*:1])[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1nnc(C)s1
O=C(Nc1ccccc1C(F)(F)F)c1cc(F)c(F)cc1Cl FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])c1cc(F)c(F)cc1Cl
COC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2C1=O COC[*:1] Cc1cc(Cl)ccc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)[*:1]
COC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2C1=O Cc1cc(Cl)ccc1[*:1] COC[C@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1nc2nc(C)cc(C)n2n1 Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])N(C)C(=O)Cc1nc2nc(C)cc(C)n2n1
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1nc2nc(C)cc(C)n2n1 Cc1ccc(cc1)C[*:1] CC[C@H](N(C)C(=O)Cc1nc2nc(C)cc(C)n2n1)[*:1]
CC(C)(C)[C@]1(C(F)(F)C(F)(F)F)CCC[NH2+]1 FC(F)(F)[*:1] CC(C)(C)[C@@]1(CCC[NH2+]1)C(F)(F)[*:1]
CC(C)(C)[C@]1(C(F)(F)C(F)(F)F)CCC[NH2+]1 CC(C)(C)[*:1] FC(F)(F)C(F)(F)[C@@]1(CCC[NH2+]1)[*:1]
CC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@H](NC(=O)CCc1cccc(c1)[N+](=O)[O-])[*:1]
CC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F O=[N+]([O-])[*:1] CC[C@H](NC(=O)CCc1cccc(c1)[*:1])c1cc(F)ccc1F
Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)O[C@@H](C)c3nnc(C)o3)cc2)c1 Cc1nnc(o1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Oc1ccc(cc1)C(=O)O[C@@H](C)[*:1]
Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)O[C@@H](C)c3nnc(C)o3)cc2)c1 Cc1ccc(C)c(c1)[*:1] Cc1nnc(o1)[C@H](C)OC(=O)c1ccc(cc1)OS(=O)(=O)[*:1]
CC(C)(C)C(=O)N1CCCN(C(=O)Nc2c(F)cccc2F)CC1 CC(C)(C)[*:1] O=C(Nc1c(F)cccc1F)N1CCCN(CC1)C(=O)[*:1]
CC(C)(C)C(=O)N1CCCN(C(=O)Nc2c(F)cccc2F)CC1 Fc1cccc(F)c1[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)cc1 FC(F)(F)C[*:1] COc1ccc(cc1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)O[*:1]
COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F
COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)OC[*:1]
COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)cc1 O=C(OCC(F)(F)F)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CCCC[C@H]1[*:1]
O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 Clc1ccc(cc1)[*:1] O=c1[nH]c2ccc(cc2[nH]1)S(=O)(=O)N[*:1]
CCc1cn[nH]c1[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1 c1csc(n1)[*:1] CCc1cn[nH]c1[C@@H]1CCCN(Cc2cccn2[*:1])C1
CCc1cn[nH]c1[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1 CCc1cn[nH]c1[*:1] c1cc(CN2CCC[C@H](C2)[*:1])n(c1)-c1nccs1
Cc1cc(CS(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)no1 O=C([O-])[*:1] Cc1cc(CS(=O)(=O)N[C@@H]2C=C[C@H](C2)[*:1])no1
Cc1cc(CS(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)no1 Cc1cc(no1)[*:1] O=C([O-])[C@H]1C=C[C@H](C1)NS(=O)(=O)C[*:1]
O=C(NCc1ccco1)N1CCC(Oc2ccccc2C(=O)N2CCCC2)CC1 c1coc(c1)[*:1] O=C(NC[*:1])N1CCC(CC1)Oc1ccccc1C(=O)N1CCCC1
O=C(NCc1ccco1)N1CCC(Oc2ccccc2C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] O=C(NCc1ccco1)N1CCC(CC1)Oc1ccccc1[*:1]
O=C(NCc1ccco1)N1CCC(Oc2ccccc2C(=O)N2CCCC2)CC1 c1coc(c1)C[*:1] O=C(N[*:1])N1CCC(CC1)Oc1ccccc1C(=O)N1CCCC1
O=C(NC[C@H](O)c1ccco1)[C@@H]1C[C@@H]1c1ccccc1F O[C@H](c1ccco1)[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1ccccc1F
O=C(NC[C@H](O)c1ccco1)[C@@H]1C[C@@H]1c1ccccc1F c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])[C@@H]1C[C@@H]1c1ccccc1F
O=C(NC[C@H](O)c1ccco1)[C@@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(NC[C@H](O)c1ccco1)[C@@H]1C[C@H]1[*:1]
Cc1ncccc1NC(=O)c1cc(Cl)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1ncccc1NC(=O)c1cc(Cl)ccc1[*:1]
Cc1ncccc1NC(=O)c1cc(Cl)ccc1-n1cnnn1 Cc1ncccc1[*:1] O=C(N[*:1])c1cc(Cl)ccc1-n1cnnn1
C/C=C(/C)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 C/C=C(/C)C(=O)N[*:1] C[NH+]1CCN(CC1)c1ccc(Cl)cc1[*:1]
C/C=C(/C)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 CC=C(C)[*:1] C[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)[*:1]
CCC[NH2+][C@H](c1ccn(Cc2noc(C)n2)c1)C(C)C CCC[*:1] Cc1nc(Cn2ccc(c2)[C@@H]([NH2+][*:1])C(C)C)no1
CCC[NH2+][C@H](c1ccn(Cc2noc(C)n2)c1)C(C)C Cc1nc(no1)[*:1] CCC[NH2+][C@H](c1ccn(c1)C[*:1])C(C)C
CCC[NH2+][C@H](c1ccn(Cc2noc(C)n2)c1)C(C)C CC(C)[*:1] CCC[NH2+][C@H](c1ccn(c1)Cc1noc(C)n1)[*:1]
O=C(NCCCc1ccccc1)c1cnc([C@@H]2CCCO2)s1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])c1cnc(s1)[C@@H]1CCCO1
O=C(NCCCc1ccccc1)c1cnc([C@@H]2CCCO2)s1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])c1cnc(s1)[C@@H]1CCCO1
C[NH2+][C@H](c1ccc(-c2ccccc2)cc1)[C@@H]1CSCCO1 c1ccc(cc1)[*:1] C[NH2+][C@H](c1ccc(cc1)[*:1])[C@@H]1CSCCO1
CCC[C@@H](C)N1C[C@@H](C(=O)NCc2ccccc2)CC1=O c1ccc(cc1)[*:1] CCC[C@@H](C)N1C[C@H](CC1=O)C(=O)NC[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)NCc2ccccc2)CC1=O c1ccc(cc1)C[*:1] CCC[C@@H](C)N1C[C@H](CC1=O)C(=O)N[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)NCc2ccccc2)CC1=O CCC[*:1] C[C@@H](N1C[C@H](CC1=O)C(=O)NCc1ccccc1)[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)NCc2ccccc2)CC1=O CCC[C@@H](C)[*:1] O=C(NCc1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccc(F)cc1[N+](=O)[O-] O=[N+]([O-])c1cc(F)ccc1[*:1] O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)N[*:1]
O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccc(F)cc1[N+](=O)[O-] C1CCC(C1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])Nc1ccc(F)cc1[N+](=O)[O-]
O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccc(F)cc1[*:1]
C[C@H](NC(=O)N[C@H](C)C(C)(C)C)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)N[C@H](C)C(C)(C)C)c1cccc(c1)[*:1]
C[C@H](NC(=O)N[C@H](C)C(C)(C)C)c1cccc(-n2cccn2)c1 CC(C)(C)[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)N[C@H](C)C(C)(C)C)c1cccc(-n2cccn2)c1 C[C@H](C(C)(C)C)[*:1] C[C@H](NC(=O)N[*:1])c1cccc(c1)-n1cccn1
CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-] CC(C)(C)[*:1] O=C(NC[C@@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-])O[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-] CC(C)(C)OC(=O)N[*:1] O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1C[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cc(O)ccc1[*:1]
CC[C@@H](CNC(=O)c1ccc(=O)n(C)c1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@@H](CNC(=O)c1ccc(=O)n(C)c1)O[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cncc3ccccc23)C1 CCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)Nc1cncc2ccccc12
CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cncc3ccccc23)C1 CCCNC(=O)[*:1] O=C(Nc1cncc2ccccc12)N1CCC[C@H](C1)[*:1]
CCC(CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2F)C1 CCC(CC)[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)C(=O)N1CC[C@@H](C1)[*:1]
CCC(CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2F)C1 CN(C)C(=O)[*:1] CCC(CC)[C@H]1CCN(C1)C(=O)C(=O)Nc1cc(ccc1F)[*:1]
COCc1cccc(C(=O)NCc2nc(-c3cccs3)no2)c1 COC[*:1] O=C(NCc1nc(no1)-c1cccs1)c1cccc(c1)[*:1]
COCc1cccc(C(=O)NCc2nc(-c3cccs3)no2)c1 c1csc(c1)[*:1] COCc1cccc(c1)C(=O)NCc1nc(no1)[*:1]
NC(=O)[C@@]1([NH3+])CCC[C@@H](Sc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] NC(=O)[C@@]1([NH3+])CCC[C@H](C1)Sc1ccc(cn1)[*:1]
NC(=O)[C@@]1([NH3+])CCC[C@@H](Sc2ccc(C(F)(F)F)cn2)C1 NC(=O)[*:1] [NH3+][C@]1(CCC[C@H](C1)Sc1ccc(cn1)C(F)(F)F)[*:1]
Cc1nc(-c2cccs2)sc1C(=O)N1CCNC(=O)C1 c1csc(c1)[*:1] Cc1nc(sc1C(=O)N1CCNC(=O)C1)[*:1]
CN1CCN(C(=O)Nc2ccc[nH+]c2N2CCCC2)[C@@H](c2ccccc2)C1 C1CCN(C1)[*:1] CN1CCN(C(=O)Nc2ccc[nH+]c2[*:1])[C@H](C1)c1ccccc1
CN1CCN(C(=O)Nc2ccc[nH+]c2N2CCCC2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)Nc2ccc[nH+]c2N2CCCC2)[C@@H](C1)[*:1]
Cc1cc(-c2ccccc2)nc2c1C1=NC=NC(=O)[C@H]1O2 c1ccc(cc1)[*:1] Cc1cc(nc2O[C@@H]3C(=O)N=CN=C3c12)[*:1]
[NH3+]Cc1cnn(Cc2ccccc2)c1C(F)(F)F c1ccc(cc1)[*:1] [NH3+]Cc1cnn(C[*:1])c1C(F)(F)F
[NH3+]Cc1cnn(Cc2ccccc2)c1C(F)(F)F FC(F)(F)[*:1] [NH3+]Cc1cnn(Cc2ccccc2)c1[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccc4ncsc4c2)C3)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc2ncsc2c1)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccc4ncsc4c2)C3)cc1 c1nc2ccc(cc2s1)[*:1] Cc1ccc(cc1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccc4ncsc4c2)C3)cc1 c1ccn(c1)[*:1] Cc1ccc(cc1)-n1nc2CN(Cc2c1[*:1])C(=O)c1ccc2ncsc2c1
CC[NH2+][C@H](Cc1ccc(C)cc1)[C@H]1CCOC2(CCC2)C1 Cc1ccc(cc1)[*:1] CC[NH2+][C@H](C[*:1])[C@H]1CCOC2(CCC2)C1
O=C(CSc1ncc2ccccn12)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1ncc2ccccn12)N[*:1]
O=C(Cc1ccc(F)c(F)c1)NC1(C(=O)[O-])CCCC1 O=C([O-])[*:1] O=C(Cc1ccc(F)c(F)c1)NC1(CCCC1)[*:1]
CC(=O)N(C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 CC(=O)N(C)[*:1] O=C(c1ccc(Cl)cc1)N1CCC(CC1)[*:1]
C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1cccnc1 C[C@H](O)[*:1] O=S(=O)(c1cccnc1)N1CCC[C@@H]1C[*:1]
C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1cccnc1 c1cncc(c1)[*:1] C[C@H](O)C[C@H]1CCCN1S(=O)(=O)[*:1]
C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1cccnc1 C[C@H](O)C[*:1] O=S(=O)(c1cccnc1)N1CCC[C@@H]1[*:1]
[NH3+]C[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] [NH3+]C[C@@H]1CCN(C1)c1ccc(cc1)O[*:1]
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C2CC2)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)O[C@H](C)C1CC1
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C2CC2)c1 C1CC1[*:1] CC(=O)Nc1cc(cc(c1)C(=O)O[C@H](C)[*:1])NC(C)=O
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](OC)C1 CC[S@](=O)[*:1] CO[C@H]1CCCN(C1)C(=O)N[C@H]1CCCC[C@H]1[*:1]
CCC(CC)NC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 CCC(CC)[*:1] COc1ccc(cc1)[C@@H]1CCN(C1)C(=O)N[*:1]
CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(OCc3ccccc3)c2)C1 c1ccc(cc1)C[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)c1cccc(c1)O[*:1]
CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(OCc3ccccc3)c2)C1 c1ccc(cc1)CO[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)c1cccc(c1)[*:1]
CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(OCc3ccccc3)c2)C1 c1ccc(cc1)[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)c1cccc(c1)OC[*:1]
Cc1[nH]c2nc(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3Cl)nn2c(=O)c1C Clc1ccccc1[*:1] Cc1[nH]c2nc(nn2c(=O)c1C)N(Cc1ccc(Cl)cc1)C(=O)[*:1]
Cc1[nH]c2nc(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3Cl)nn2c(=O)c1C Clc1ccc(cc1)[*:1] Cc1[nH]c2nc(nn2c(=O)c1C)N(C[*:1])C(=O)c1ccccc1Cl
Cc1[nH]c2nc(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3Cl)nn2c(=O)c1C Clc1ccc(cc1)C[*:1] Cc1[nH]c2nc(nn2c(=O)c1C)N(C(=O)c1ccccc1Cl)[*:1]
O=C(COC(=O)c1cncc(Br)c1)Nc1ccc(Br)cc1 Brc1cncc(c1)[*:1] O=C(COC(=O)[*:1])Nc1ccc(Br)cc1
O=C(COC(=O)c1cncc(Br)c1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(COC(=O)c1cncc(Br)c1)N[*:1]
O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)N3CCc4ccccc43)cc21 C1CC1[*:1] O=C(N1CCc2cc(Br)c(cc21)S(=O)(=O)N1CCc2ccccc21)[*:1]
S=C(Nc1ccccc1Cl)N1CCCC[C@H]1c1cccnc1 c1cncc(c1)[*:1] S=C(Nc1ccccc1Cl)N1CCCC[C@@H]1[*:1]
S=C(Nc1ccccc1Cl)N1CCCC[C@H]1c1cccnc1 Clc1ccccc1[*:1] S=C(N[*:1])N1CCCC[C@H]1c1cccnc1
CC(=O)c1cccc(SCc2ccc([N+](=O)[O-])c(F)c2)c1 CC(=O)[*:1] O=[N+]([O-])c1ccc(cc1F)CSc1cccc(c1)[*:1]
CC(=O)c1cccc(SCc2ccc([N+](=O)[O-])c(F)c2)c1 O=[N+]([O-])[*:1] CC(=O)c1cccc(c1)SCc1ccc(c(F)c1)[*:1]
Cc1nn(Cc2noc(C(=O)NC[C@H]3CCCO3)n2)c(C)c1Br C1CO[C@H](C1)[*:1] Cc1nn(Cc2noc(n2)C(=O)NC[*:1])c(C)c1Br
Cc1nn(Cc2noc(C(=O)NC[C@H]3CCCO3)n2)c(C)c1Br C1CO[C@H](C1)C[*:1] Cc1nn(Cc2noc(n2)C(=O)N[*:1])c(C)c1Br
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(S(C)(=O)=O)cc1 CC(C)C[*:1] CS(=O)(=O)c1ccc(cc1)CNC(=O)N[C@@H]1CCC[C@@H]1C[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(S(C)(=O)=O)cc1 CC(C)CC[*:1] CS(=O)(=O)c1ccc(cc1)CNC(=O)N[C@@H]1CCC[C@@H]1[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(S(C)(=O)=O)cc1 CC(C)[*:1] CS(=O)(=O)c1ccc(cc1)CNC(=O)N[C@@H]1CCC[C@@H]1CC[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(cc1)[*:1]
O=C1NCCN1c1nc(CC(=O)N2CC[C@H]3CCCC[C@H]32)cs1 O=C1NCCN1[*:1] O=C(Cc1csc(n1)[*:1])N1CC[C@H]2CCCC[C@H]21
CCCOC(=O)[C@@H](N)c1ccccc1 CCC[*:1] N[C@H](C(=O)O[*:1])c1ccccc1
COCCn1cc(C(=O)NC[C@@H](C)c2ccccc2)ccc1=O COC[*:1] C[C@H](CNC(=O)c1ccc(=O)n(c1)C[*:1])c1ccccc1
COCCn1cc(C(=O)NC[C@@H](C)c2ccccc2)ccc1=O c1ccc(cc1)[*:1] COCCn1cc(ccc1=O)C(=O)NC[C@@H](C)[*:1]
COCCn1cc(C(=O)NC[C@@H](C)c2ccccc2)ccc1=O COCC[*:1] C[C@H](CNC(=O)c1ccc(=O)n(c1)[*:1])c1ccccc1
CCCC(=O)N1CCCC[C@H]1C(=O)Nc1nc2ccc(OC)cc2s1 CCC[*:1] COc1ccc2nc(NC(=O)[C@@H]3CCCCN3C(=O)[*:1])sc2c1
C[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)CC(=O)NC(=O)N[*:1]
Cc1nn(CC(=O)c2cccn2C)c(C)c1[N+](=O)[O-] Cn1cccc1[*:1] Cc1nn(CC(=O)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CC(=O)c2cccn2C)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)c2cccn2C)c(C)c1[*:1]
Cn1c(C(=O)Nc2cnc(-c3ccccc3)s2)cccc1=O c1ccc(cc1)[*:1] Cn1c(cccc1=O)C(=O)Nc1cnc(s1)[*:1]
Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)sc1C Fc1cccc(c1)C[*:1] Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(C2)C[*:1])sc1C
Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)sc1C Fc1cccc(c1)[*:1] Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(CC[*:1])C2)sc1C
Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)sc1C Fc1cccc(c1)CC[*:1] Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(C2)[*:1])sc1C
Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)sc1C Cc1nc(C[*:1])sc1C O=C(NC[*:1])[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1
Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)sc1C Cc1nc(CC[*:1])sc1C O=C(N[*:1])[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1
Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)sc1C Cc1nc(sc1C)[*:1] O=C(NCC[*:1])[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1
O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)-c1cnc2ccccc2n1)c1cccc(c1)NC(=O)[*:1]
O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 O=C(Nc1cccc(c1)-c1cnc2ccccc2n1)c1cccc(c1)[*:1]
O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cccc(NC(=O)c2ccco2)c1 c1ccc2nc(cnc2c1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)NC(=O)c1ccco1
CCC/C=N/Nc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1 CCC/C=N/N[*:1] Clc1ccc(cc1Cl)CSc1n[nH]c(n1)[*:1]
CCC/C=N/Nc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1 CCC[*:1] Clc1ccc(cc1Cl)CSc1n[nH]c(n1)NN=C[*:1]
Cc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)o1 O=[N+]([O-])[*:1] Cc1ccc(/C=C2\N=C(OC2=O)c2cc(ccc2Cl)[*:1])o1
Cc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)o1 Cc1ccc(o1)[*:1] O=C1OC(=NC1=C[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
Cc1ccc(N2CCN(CC(=O)NCCCO)C2=O)cc1 O=C(NCCCO)[*:1] Cc1ccc(cc1)N1CCN(C[*:1])C1=O
Cc1ccc(N2CCN(CC(=O)NCCCO)C2=O)cc1 OCCC[*:1] Cc1ccc(cc1)N1CCN(CC(=O)N[*:1])C1=O
Cc1ccc(N2CCN(CC(=O)NCCCO)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])NCCCO
Cc1ccc(N2CCN(CC(=O)NCCCO)C2=O)cc1 OCC[*:1] Cc1ccc(cc1)N1CCN(CC(=O)NC[*:1])C1=O
C[C@@H]1CCCCC[C@@H]1NC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] C[C@@H]1CCCCC[C@@H]1NC[*:1]
O=C(c1cc(Cl)ccc1O)N1CCCC[C@@H]1c1ncc[nH]1 c1c[nH]c(n1)[*:1] O=C(c1cc(Cl)ccc1O)N1CCCC[C@H]1[*:1]
C[C@H]1CCN(C(=O)COC(=O)c2ccc(C(N)=O)cc2)c2ccccc2S1 NC(=O)[*:1] C[C@H]1CCN(C(=O)COC(=O)c2ccc(cc2)[*:1])c2ccccc2S1
C[C@H]1CCN(C(=O)COC(=O)c2ccc(C(N)=O)cc2)c2ccccc2S1 NC(=O)c1ccc(cc1)[*:1] C[C@H]1CCN(C(=O)COC(=O)[*:1])c2ccccc2S1
Cn1cccc1[C@H](CNC(=O)C(=O)NCc1ccco1)[NH+]1CCCCCC1 c1coc(c1)[*:1] Cn1cccc1[C@H](CNC(=O)C(=O)NC[*:1])[NH+]1CCCCCC1
Cn1cccc1[C@H](CNC(=O)C(=O)NCc1ccco1)[NH+]1CCCCCC1 c1coc(c1)C[*:1] Cn1cccc1[C@H](CNC(=O)C(=O)N[*:1])[NH+]1CCCCCC1
Cn1cccc1[C@H](CNC(=O)C(=O)NCc1ccco1)[NH+]1CCCCCC1 Cn1cccc1[*:1] O=C(NCc1ccco1)C(=O)NC[C@H]([NH+]1CCCCCC1)[*:1]
Cc1nn(C)cc1-c1cncn1Cc1ccc2c(c1)CCCO2 Cc1nn(C)cc1[*:1] c1cc2OCCCc2cc1Cn1cncc1[*:1]
Cc1occc1-c1nnc(SCC(=O)N(CCC#N)c2ccc(F)cc2)n1C N#CCC[*:1] Cc1occc1-c1nnc(SCC(=O)N(c2ccc(F)cc2)[*:1])n1C
Cc1occc1-c1nnc(SCC(=O)N(CCC#N)c2ccc(F)cc2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])SCC(=O)N(CCC#N)c1ccc(F)cc1
Cc1occc1-c1nnc(SCC(=O)N(CCC#N)c2ccc(F)cc2)n1C Fc1ccc(cc1)[*:1] Cc1occc1-c1nnc(SCC(=O)N(CCC#N)[*:1])n1C
Cc1occc1-c1nnc(SCC(=O)N(CCC#N)c2ccc(F)cc2)n1C N#CC[*:1] Cc1occc1-c1nnc(SCC(=O)N(C[*:1])c2ccc(F)cc2)n1C
CC(C)NC(=O)c1cccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1 CC(C)[*:1] CC1(C)[C@@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(C)NC(=O)c1cccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1 CC(C)NC(=O)[*:1] CC1(C)[C@@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(c1)[*:1]
C=CCN(Cc1cccc(OC)c1)C(=O)c1ccc(C)[nH]c1=O C=CC[*:1] COc1cccc(c1)CN(C(=O)c1ccc(C)[nH]c1=O)[*:1]
CCCNc1ncc(C[NH+]2C[C@H](C)C[C@@H](C)C2)s1 CCC[*:1] C[C@@H]1C[C@@H](C)C[NH+](Cc2cnc(N[*:1])s2)C1
CCCNc1ncc(C[NH+]2C[C@H](C)C[C@@H](C)C2)s1 CCCN[*:1] C[C@@H]1C[C@@H](C)C[NH+](Cc2cnc(s2)[*:1])C1
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1 C[C@H]1CCCCN1C(=O)[*:1] O=C(NCC(=O)N1CCCC1)Nc1ccc(cc1)[*:1]
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] C[C@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)NC[*:1]
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1 O=C(C[*:1])N1CCCC1 C[C@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)N[*:1]
C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc(Br)cn1 Brc1cnn(c1)[*:1] C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[*:1]
Cc1c([C@@H](C)[NH2+][C@H]2COc3ccccc32)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])[C@@H](C)[NH2+][C@H]1COc2ccccc21
Nc1nc(SCCS(=O)(=O)Oc2ccccc2)nc2sc3c(c12)CCCC3 c1ccc(cc1)[*:1] Nc1nc(nc2sc3CCCCc3c12)SCCS(=O)(=O)O[*:1]
Cc1ccc(-n2nnc(C(=O)O[C@@H](C)c3nccs3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)O[C@@H](C)c1nccs1
Cc1ccc(-n2nnc(C(=O)O[C@@H](C)c3nccs3)c2C)cc1 c1csc(n1)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)O[C@@H](C)[*:1])c1C
COC(=O)[C@H]1CC(=O)OC12CCCCC2 COC(=O)[*:1] O=C1C[C@@H](C2(CCCCC2)O1)[*:1]
O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N1CCO[C@H](c2ccsc2)C1 c1cc(cs1)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N1CCO[C@H](C1)[*:1]
CCC[C@@H]([NH2+]C[C@H]1Cc2ccccc2S1)C(=O)[O-] O=C([O-])[*:1] CCC[C@@H]([NH2+]C[C@H]1Cc2ccccc2S1)[*:1]
CCC[C@@H]([NH2+]C[C@H]1Cc2ccccc2S1)C(=O)[O-] CCC[*:1] O=C([O-])[C@H]([NH2+]C[C@H]1Cc2ccccc2S1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)c2ccccc2o1 CC[C@@H](C)C[*:1] C[C@H](NC(=O)c1cc(=O)c2ccccc2o1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)c2ccccc2o1 CC[C@@H](C)[*:1] C[C@@H](C[*:1])NC(=O)c1cc(=O)c2ccccc2o1
CC(C)n1c[nH+]cc1[C@@H](O)c1ccc(F)cc1F CC(C)[*:1] O[C@@H](c1ccc(F)cc1F)c1c[nH+]cn1[*:1]
C[C@]1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCS(=O)(=O)C1 c1ccc(cc1)[*:1] C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1nn(cc1[O-])[*:1]
C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](CCO)C2)[C@H](C)C1 OCC[*:1] C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](C2)[*:1])[C@H](C)C1
COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc(C(C)(C)C)no1 CC(=O)[*:1] COc1cc(ccc1OCC(=O)Nc1cc(no1)C(C)(C)C)[*:1]
COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc(C(C)(C)C)no1 CC(C)(C)[*:1] COc1cc(ccc1OCC(=O)Nc1cc(no1)[*:1])C(C)=O
Cn1c(N)[n+](CC(=O)c2cccs2)c2ccccc21 c1csc(c1)[*:1] Cn1c(N)[n+](CC(=O)[*:1])c2ccccc21
CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(OC)cc1 c1ccc(cc1)[*:1] CC[C@H](O[*:1])C(=O)NNC(=O)c1ccc(cc1)OC
CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(OC)cc1 c1ccc(cc1)O[*:1] CC[C@H](C(=O)NNC(=O)c1ccc(cc1)OC)[*:1]
CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@H](Oc1ccccc1)C(=O)NNC(=O)[*:1]
CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\S(=O)(=O)c1cccs1 Fc1ccc(cc1)[*:1] CCN1C(=O)[C@@H](CC(=O)N[*:1])S/C1=N\S(=O)(=O)c1cccs1
CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\S(=O)(=O)[*:1]
CC(C)(C)OC(=O)N1CC(=CC(=O)NCCc2c[nH]c3cc(F)ccc23)C1 CC(C)(C)[*:1] O=C(C=C1CN(C1)C(=O)O[*:1])NCCc1c[nH]c2cc(F)ccc12
O=C(OCc1cc(-c2ccccc2)on1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(OCc1cc(on1)-c1ccccc1)[*:1]
O=C(OCc1cc(-c2ccccc2)on1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(OCc1cc(on1)[*:1])c1ccc(F)cc1
CC[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 c1cc2CCCc2cc1[*:1] CC[C@@H]1CCCCN1C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CCCCCCC1 CC(C)[*:1] O=C(NCc1ccccc1)N[C@@H](C(=O)N1CCCCCCC1)[*:1]
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CCCCCCC1 c1ccc(cc1)C[*:1] CC(C)[C@@H](NC(=O)N[*:1])C(=O)N1CCCCCCC1
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CCCCCCC1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)NC[*:1])C(=O)N1CCCCCCC1
COCC[C@](C)(O)[C@]1(C[NH3+])CCc2ccccc21 COC[*:1] C[C@](O)(C[*:1])[C@]1(C[NH3+])CCc2ccccc21
COCC[C@](C)(O)[C@]1(C[NH3+])CCc2ccccc21 COCC[*:1] C[C@](O)([C@]1(C[NH3+])CCc2ccccc21)[*:1]
CC[C@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1Cc1cccc(O)c1 CC(C)(C)[*:1] CC[C@]1(C)C[NH2+][C@@H](CN1Cc1cccc(O)c1)[*:1]
CC[C@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1Cc1cccc(O)c1 Oc1cccc(c1)[*:1] CC[C@]1(C)C[NH2+][C@H](CN1C[*:1])C(C)(C)C
Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](Cc4ccccc4)(c4ccccc4)C3=O)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](Cc3ccccc3)(C2=O)c2ccccc2)c(C)n1[*:1]
Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](Cc4ccccc4)(c4ccccc4)C3=O)c2C)no1 c1ccc(cc1)[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)CN2C(=O)N[C@@](Cc3ccccc3)(C2=O)[*:1])c1C
Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](Cc4ccccc4)(c4ccccc4)C3=O)c2C)no1 c1ccc(cc1)C[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)CN2C(=O)N[C@](C2=O)(c2ccccc2)[*:1])c1C
Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](Cc4ccccc4)(c4ccccc4)C3=O)c2C)no1 c1ccc(cc1)[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)CN2C(=O)N[C@](C[*:1])(C2=O)c2ccccc2)c1C
CCc1cc(NC(=O)N[C@@H]2CCCCC[C@@H]2C(=O)OC)n(C)n1 COC(=O)[*:1] CCc1cc(NC(=O)N[C@@H]2CCCCC[C@H]2[*:1])n(C)n1
C[C@@H](CS(C)(=O)=O)C(=O)Nc1nc(-c2ccccc2F)cs1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])C(=O)Nc1nc(cs1)-c1ccccc1F
C[C@@H](CS(C)(=O)=O)C(=O)Nc1nc(-c2ccccc2F)cs1 CS(=O)(=O)C[*:1] C[C@@H](C(=O)Nc1nc(cs1)-c1ccccc1F)[*:1]
C[C@@H](CS(C)(=O)=O)C(=O)Nc1nc(-c2ccccc2F)cs1 Fc1ccccc1[*:1] C[C@@H](CS(C)(=O)=O)C(=O)Nc1nc(cs1)[*:1]
CCC[C@H](CS)COc1ccc2c(C)cc(=O)oc2c1 CCC[*:1] Cc1cc(=O)oc2cc(ccc12)OC[C@@H](CS)[*:1]
Cc1csc(C/C(N)=N/OCc2ccccc2)n1 Cc1csc(n1)[*:1] N/C(C[*:1])=N\OCc1ccccc1
Cc1csc(C/C(N)=N/OCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(C/C(N)=N/OC[*:1])n1
CC(C)(C)N1C[C@H](C(=O)Nc2cc(F)cc(F)c2)CC1=O CC(C)(C)[*:1] O=C(Nc1cc(F)cc(F)c1)[C@@H]1CC(=O)N(C1)[*:1]
CCC([NH3+])(CC)C(=O)N(C)Cc1cscn1 c1nc(cs1)[*:1] CCC([NH3+])(CC)C(=O)N(C)C[*:1]
Cc1ccccc1OCc1n[nH]c(SCC(=O)N2CCC(c3ccccc3)=N2)n1 Cc1ccccc1[*:1] O=C(CSc1nc(CO[*:1])n[nH]1)N1CCC(=N1)c1ccccc1
Cc1ccccc1OCc1n[nH]c(SCC(=O)N2CCC(c3ccccc3)=N2)n1 c1ccc(cc1)[*:1] Cc1ccccc1OCc1n[nH]c(n1)SCC(=O)N1CCC(=N1)[*:1]
Cc1ccccc1OCc1n[nH]c(SCC(=O)N2CCC(c3ccccc3)=N2)n1 Cc1ccccc1O[*:1] O=C(CSc1nc(C[*:1])n[nH]1)N1CCC(=N1)c1ccccc1
Cc1ccccc1OCc1n[nH]c(SCC(=O)N2CCC(c3ccccc3)=N2)n1 Cc1ccccc1OC[*:1] O=C(CSc1nc(n[nH]1)[*:1])N1CCC(=N1)c1ccccc1
CNC(=O)c1cc(NC(=O)CCOc2cc(C)cc(C)c2)ccc1Cl Cc1cc(C)cc(c1)[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)CCO[*:1]
CNC(=O)c1cc(NC(=O)CCOc2cc(C)cc(C)c2)ccc1Cl CNC(=O)[*:1] Cc1cc(C)cc(c1)OCCC(=O)Nc1ccc(Cl)c(c1)[*:1]
C#CCOc1ccc2ccccc2c1CN1CCN[C@H](C(=O)N(C)C)C1 C#CC[*:1] CN(C)C(=O)[C@@H]1CN(CCN1)Cc1c(ccc2ccccc12)O[*:1]
C#CCOc1ccc2ccccc2c1CN1CCN[C@H](C(=O)N(C)C)C1 CN(C)C(=O)[*:1] C#CCOc1ccc2ccccc2c1CN1CCN[C@H](C1)[*:1]
C#CCOc1ccc2ccccc2c1CN1CCN[C@H](C(=O)N(C)C)C1 C#CCO[*:1] CN(C)C(=O)[C@@H]1CN(CCN1)Cc1c(ccc2ccccc12)[*:1]
CCOC(=O)N1CCN(C(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)[C@@H](CC)N(S(C)(=O)=O)[*:1]
Cc1csc([C@H](NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)[*:1]
Cc1csc([C@H](NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)C2CC2)n1 Cc1csc(n1)[*:1] O=C(N[C@H](C1CC1)[*:1])N1CC[C@H]1c1ccc(Cl)cc1
Cc1csc([C@H](NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)C2CC2)n1 Clc1ccc(cc1)[*:1] Cc1csc(n1)[C@H](NC(=O)N1CC[C@@H]1[*:1])C1CC1
C/C(Cl)=C/Cn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C CC(Cl)=C[*:1] Cc1ccc(cc1)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
C/C(Cl)=C/Cn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C Cc1ccc(cc1)C[*:1] C/C(Cl)=C/Cn1c(nc2c1c(=O)[nH]c(=O)n2C)S[*:1]
C/C(Cl)=C/Cn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C Cc1ccc(cc1)[*:1] C/C(Cl)=C/Cn1c(nc2c1c(=O)[nH]c(=O)n2C)SC[*:1]
C/C(Cl)=C/Cn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C C/C(Cl)=C/C[*:1] Cc1ccc(cc1)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
Cc1cccc(OCc2nnc(SCC(N)=O)n2-c2cccc(C)c2C)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1C)-n1c(CO[*:1])nnc1SCC(N)=O
Cc1cccc(OCc2nnc(SCC(N)=O)n2-c2cccc(C)c2C)c1 NC(=O)C[*:1] Cc1cccc(c1)OCc1nnc(S[*:1])n1-c1cccc(C)c1C
Cc1cccc(OCc2nnc(SCC(N)=O)n2-c2cccc(C)c2C)c1 Cc1cccc(c1)OC[*:1] Cc1cccc(c1C)-n1c(nnc1[*:1])SCC(N)=O
Cc1cccc(OCc2nnc(SCC(N)=O)n2-c2cccc(C)c2C)c1 NC(=O)[*:1] Cc1cccc(c1)OCc1nnc(SC[*:1])n1-c1cccc(C)c1C
Cc1cccc(OCc2nnc(SCC(N)=O)n2-c2cccc(C)c2C)c1 NC(=O)CS[*:1] Cc1cccc(c1)OCc1nnc(n1-c1cccc(C)c1C)[*:1]
Cc1cccc(OCc2nnc(SCC(N)=O)n2-c2cccc(C)c2C)c1 Cc1cccc(c1)O[*:1] Cc1cccc(c1C)-n1c(C[*:1])nnc1SCC(N)=O
Cc1cccc(OCc2nnc(SCC(N)=O)n2-c2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] Cc1cccc(c1)OCc1nnc(SCC(N)=O)n1[*:1]
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1[NH2+]C1CCN(c2nccs2)CC1 c1csc(n1)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1[NH2+]C1CCN(CC1)[*:1]
CCCn1c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)nc2sc3c(c2c1=O)CCC3 c1ccc2sc(nc2c1)[*:1] CCCn1c(nc2sc3CCCc3c2c1=O)SCC(=O)N(C)[C@@H](C)[*:1]
CCCn1c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)nc2sc3c(c2c1=O)CCC3 CCC[*:1] C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc2sc3CCCc3c2c(=O)n1[*:1]
COc1ccc([C@H]2[C@@H]3C(=Nc4ncnn42)c2cc(C)ccc2O[C@@H]3c2cccs2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc2O[C@H](c3cccs3)[C@H]3C(=Nc4ncnn4[C@H]3[*:1])c2c1
COc1ccc([C@H]2[C@@H]3C(=Nc4ncnn42)c2cc(C)ccc2O[C@@H]3c2cccs2)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)[C@H]1[C@@H]2C(=Nc3ncnn31)c1cc(C)ccc1O[C@H]2[*:1]
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC1CCCCC1 N#Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)CC1CCCCC1
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC1CCCCC1 C1CCC(CC1)C[*:1] C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)[*:1]
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)C[*:1]
c1ccc(-c2cc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)no2)cc1 c1ccc(cc1)[*:1] c1csc(c1)-c1nnc(SCc2cc(on2)[*:1])n1C[C@H]1CCCO1
c1ccc(-c2cc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)no2)cc1 c1csc(c1)[*:1] c1ccc(cc1)-c1cc(CSc2nnc(n2C[C@H]2CCCO2)[*:1])no1
O=C(NCc1ccc(F)c(Cl)c1)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(NCc1ccc(F)c(Cl)c1)NC[C@@H]1CCCN(C1)[*:1]
O=C(NCc1ccc(F)c(Cl)c1)NC[C@@H]1CCCN(c2ncccn2)C1 Fc1ccc(cc1Cl)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)NC[*:1]
C[C@@H](C(=O)[O-])[C@@H](C)Sc1nncn1C O=C([O-])[*:1] C[C@@H]([C@@H](C)Sc1nncn1C)[*:1]
C[C@@H]1CN(C(=O)c2csc(-c3ccsc3)n2)C(C)(C)CO1 c1cc(cs1)[*:1] C[C@@H]1CN(C(=O)c2csc(n2)[*:1])C(C)(C)CO1
Cc1cc(C)cc(C(=O)N2CCCN(c3nc(C)ns3)CC2)c1 Cc1nsc(n1)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCCN(CC1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C#Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C#C[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C#Cc1ccccc1 CC[C@@H](C)[*:1] C[C@@H](NC(=O)C#Cc1ccccc1)C(=O)N[*:1]
O=C(CCC(=O)N1CCOCC1)O[C@@H](C1CCCCC1)C(F)(F)F FC(F)(F)[*:1] O=C(CCC(=O)N1CCOCC1)O[C@@H](C1CCCCC1)[*:1]
O=C(CCC(=O)N1CCOCC1)O[C@@H](C1CCCCC1)C(F)(F)F C1CCC(CC1)[*:1] O=C(CCC(=O)N1CCOCC1)O[C@@H](C(F)(F)F)[*:1]
O=C(CCC(=O)N1CCOCC1)O[C@@H](C1CCCCC1)C(F)(F)F O=C(N1CCOCC1)[*:1] O=C(CC[*:1])O[C@@H](C1CCCCC1)C(F)(F)F
Cc1nn(C)cc1-c1cc(C(F)F)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1 Fc1ccc(cc1)[*:1] Cc1nn(C)cc1-c1cc(c2c(nn(c2n1)[*:1])C(C)C)C(F)F
Cc1nn(C)cc1-c1cc(C(F)F)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1 CC(C)[*:1] Cc1nn(C)cc1-c1cc(c2c(nn(-c3ccc(F)cc3)c2n1)[*:1])C(F)F
Cc1nn(C)cc1-c1cc(C(F)F)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1 Cc1nn(C)cc1[*:1] CC(C)c1nn(-c2ccc(F)cc2)c2nc(cc(c12)C(F)F)[*:1]
Cc1nn(C)cc1-c1cc(C(F)F)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1 FC(F)[*:1] Cc1nn(C)cc1-c1cc(c2c(nn(-c3ccc(F)cc3)c2n1)C(C)C)[*:1]
CCCn1cc[nH+]c1C[C@]1([NH3+])CC[C@@H](CC)C1 CCC[*:1] CC[C@@H]1CC[C@@]([NH3+])(Cc2[nH+]ccn2[*:1])C1
C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1cccnc1 c1cncc(c1)[*:1] C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)[*:1]
C[C@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)C1 Fc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)CSc1nnc(o1)[*:1]
CSc1nn(CN(C)C[C@H](C)c2ccccc2)c(=S)s1 c1ccc(cc1)[*:1] CSc1nn(CN(C)C[C@H](C)[*:1])c(=S)s1
COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1 COC(=O)CNC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(CC1)c1ncccn1
COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1 COC(=O)CNC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])N1CCN(CC1)c1ncccn1
COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1 COC(=O)C[*:1] O=C(Cc1ccc(cc1)NC(=O)N1CCN(CC1)c1ncccn1)N[*:1]
COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1 COC(=O)[*:1] O=C(Cc1ccc(cc1)NC(=O)N1CCN(CC1)c1ncccn1)NC[*:1]
COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1 c1cnc(nc1)[*:1] COC(=O)CNC(=O)Cc1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O c1ccc(cc1)[*:1] CC[C@H](C[*:1])[NH2+][C@@H]1CCN(C1=O)c1cc(C)nn1C
CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O Cc1cc(n(C)n1)[*:1] CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C1=O)[*:1]
CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O c1ccc(cc1)C[*:1] CC[C@H]([NH2+][C@@H]1CCN(C1=O)c1cc(C)nn1C)[*:1]
CCC[NH2+][C@H]1[C@H](Sc2nnc(C)s2)CCCC1(C)C CCC[*:1] Cc1nnc(S[C@@H]2CCCC(C)(C)[C@H]2[NH2+][*:1])s1
CCC[NH2+][C@H]1[C@H](Sc2nnc(C)s2)CCCC1(C)C Cc1nnc(s1)[*:1] CCC[NH2+][C@H]1[C@@H](CCCC1(C)C)S[*:1]
C[C@H](C(=O)Nc1cccc(OCc2cscn2)c1)c1cccs1 c1nc(cs1)[*:1] C[C@H](C(=O)Nc1cccc(c1)OC[*:1])c1cccs1
C[C@H](C(=O)Nc1cccc(OCc2cscn2)c1)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)Nc1cccc(c1)OCc1cscn1)[*:1]
C[C@H](C(=O)Nc1cccc(OCc2cscn2)c1)c1cccs1 c1nc(cs1)C[*:1] C[C@H](C(=O)Nc1cccc(c1)O[*:1])c1cccs1
C[C@H](C(=O)Nc1cccc(OCc2cscn2)c1)c1cccs1 c1nc(cs1)CO[*:1] C[C@H](C(=O)Nc1cccc(c1)[*:1])c1cccs1
COc1cc(C(=O)NCc2ccc(C)cc2)cc(OC)c1OC Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)NC[*:1]
Cc1ccc([C@@H]2CSCCN2Cc2c(C)nn(CCO)c2C)cc1 OCC[*:1] Cc1ccc(cc1)[C@@H]1CSCCN1Cc1c(C)nn(c1C)[*:1]
Cc1ccc([C@@H]2CSCCN2Cc2c(C)nn(CCO)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(CCO)c(C)c1CN1CCSC[C@H]1[*:1]
COC(=O)C[C@@H]1CCCCN1C(=O)c1cccnc1 c1cncc(c1)[*:1] COC(=O)C[C@@H]1CCCCN1C(=O)[*:1]
COC(=O)C[C@@H]1CCCCN1C(=O)c1cccnc1 COC(=O)C[*:1] O=C(c1cccnc1)N1CCCC[C@H]1[*:1]
COC(=O)C[C@@H]1CCCCN1C(=O)c1cccnc1 COC(=O)[*:1] O=C(c1cccnc1)N1CCCC[C@H]1C[*:1]
Cc1ccc(-c2noc(CS(=O)(=O)[C@@H](C)[C@@H](C)O)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]([C@@H](C)O)S(=O)(=O)Cc1nc(no1)[*:1]
COc1cc(C)c(NC(=O)c2cc(C)no2)cc1OC Cc1cc(on1)[*:1] COc1cc(C)c(cc1OC)NC(=O)[*:1]
Cc1cc(=O)[nH]c2cc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)ccc12 c1ccc(cc1)[*:1] Cc1cc(=O)[nH]c2cc(ccc12)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)c(OC(F)F)c1 FC(F)O[*:1] COc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)c(c1)[*:1]
COc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)c(OC(F)F)c1 FC(F)[*:1] COc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)c(c1)O[*:1]
C#CCN(C(=O)N[C@@H](C)c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] C[C@H](NC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1])c1ccc(F)c(F)c1
C#CCN(C(=O)N[C@@H](C)c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)N[C@@H](C)c1ccc(F)c(F)c1)[*:1]
C#CCN(C(=O)N[C@@H](C)c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 Fc1ccc(cc1F)[*:1] C#CCN(C(=O)N[C@@H](C)[*:1])[C@H]1CCS(=O)(=O)C1
O=C(OCCCc1ccncc1)[C@@H]1SCCc2sccc21 c1cc(ccn1)C[*:1] O=C(OCC[*:1])[C@@H]1SCCc2sccc21
O=C(OCCCc1ccncc1)[C@@H]1SCCc2sccc21 c1cc(ccn1)[*:1] O=C(OCCC[*:1])[C@@H]1SCCc2sccc21
C/C=C/C=C/C(=O)Nc1cc(C)c(NC(C)=O)c(C)c1 CC=C[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)C=C[*:1]
C/C=C/C=C/C(=O)Nc1cc(C)c(NC(C)=O)c(C)c1 CC(=O)N[*:1] C/C=C/C=C/C(=O)Nc1cc(C)c(c(C)c1)[*:1]
C/C=C/C=C/C(=O)Nc1cc(C)c(NC(C)=O)c(C)c1 C/C=C/C=C[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)[*:1]
NC(=O)c1ccc(NC2CCCCCCC2)c(N)c1 NC(=O)[*:1] Nc1cc(ccc1NC1CCCCCCC1)[*:1]
COc1ncccc1Cn1cc(CCO)nn1 OCC[*:1] COc1ncccc1Cn1cc(nn1)[*:1]
COc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)c1cc(nc2c1cnn2C)[*:1]
CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nncn1C(C)C CC(C)[*:1] CC(C)n1cnnc1C[NH2+][C@@H]1CCCC[C@H]1[*:1]
CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nncn1C(C)C CC(C)[*:1] CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nncn1[*:1]
FC(F)Sc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 FC(F)S[*:1] Clc1ccc(cc1)-c1c[n+](-c2ccc(cc2)[*:1])c2CCCCCn12
FC(F)Sc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 Clc1ccc(cc1)[*:1] FC(F)Sc1ccc(cc1)-[n+]1cc(n2CCCCCc21)[*:1]
FC(F)Sc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 FC(F)[*:1] Clc1ccc(cc1)-c1c[n+](-c2ccc(cc2)S[*:1])c2CCCCCn12
O=C(c1ccc(-n2ccnn2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 c1cn(nn1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
O=C(c1ccc(-n2ccnn2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CCc2ccc(cc21)[*:1]
CCN(Cc1ccccn1)C(=O)c1nc(NC)ccc1Cl c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1nc(ccc1Cl)NC
CCN(Cc1ccccn1)C(=O)c1nc(NC)ccc1Cl c1ccc(C[*:1])nc1 CCN(C(=O)c1nc(ccc1Cl)NC)[*:1]
O=C(NCCCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(CCC[*:1])N1CCc2sccc2[C@@H]1c1ccccc1
O=C(NCCCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(NCCCC(=O)N1CCc2sccc2[C@H]1[*:1])c1ccco1
O=C(NCCCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(CCCNC(=O)[*:1])N1CCc2sccc2[C@@H]1c1ccccc1
O=C(NCCCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccco1 O=C(NC[*:1])c1ccco1 O=C(CC[*:1])N1CCc2sccc2[C@@H]1c1ccccc1
Cc1nc(SCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c2c(C)c(C)sc2n1 c1ccc(cc1)[*:1] Cc1nc(SCC(=O)N(C)Cc2cnn(c2)C[*:1])c2c(C)c(C)sc2n1
Cc1nc(SCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c2c(C)c(C)sc2n1 c1ccc(cc1)C[*:1] Cc1nc(SCC(=O)N(C)Cc2cnn(c2)[*:1])c2c(C)c(C)sc2n1
Cc1ccccc1-n1ncc(C(=O)Nc2ccccc2C(F)(F)F)c1C FC(F)(F)[*:1] Cc1ccccc1-n1ncc(C(=O)Nc2ccccc2[*:1])c1C
Cc1ccccc1-n1ncc(C(=O)Nc2ccccc2C(F)(F)F)c1C Cc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccccc1C(F)(F)F
Cc1c(C(=O)N(C)C)sc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1C#N CN(C)C(=O)[*:1] Cc1c(sc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1C#N)[*:1]
COc1ccc(Cl)cc1Nc1ncnc(Nc2ccccc2C)c1N Cc1ccccc1N[*:1] COc1ccc(Cl)cc1Nc1ncnc(c1N)[*:1]
COc1ccc(Cl)cc1Nc1ncnc(Nc2ccccc2C)c1N Cc1ccccc1[*:1] COc1ccc(Cl)cc1Nc1ncnc(N[*:1])c1N
CNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 CNC(=O)[*:1] O=C(CC[NH+]1CCC(CC1)[*:1])Nc1ccccc1-c1ccccc1
CNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2[*:1])CC1
Cc1ccc(NC(=O)CCNC(=O)c2c(O)cccc2O)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(CCNC(=O)c1c(O)cccc1O)N[*:1]
Cc1ccc(NC(=O)CCNC(=O)c2c(O)cccc2O)c(Cl)c1 Oc1cccc(O)c1[*:1] Cc1ccc(NC(=O)CCNC(=O)[*:1])c(Cl)c1
CCCc1cc(C(=O)NNC(=O)c2sccc2C)[nH]n1 CCC[*:1] Cc1ccsc1C(=O)NNC(=O)c1cc(n[nH]1)[*:1]
CCCc1cc(C(=O)NNC(=O)c2sccc2C)[nH]n1 Cc1ccsc1[*:1] CCCc1cc([nH]n1)C(=O)NNC(=O)[*:1]
C[NH+](Cc1nc(CCc2ccccc2)no1)C1CCC(CO)CC1 c1ccc(cc1)C[*:1] C[NH+](Cc1nc(C[*:1])no1)C1CCC(CO)CC1
C[NH+](Cc1nc(CCc2ccccc2)no1)C1CCC(CO)CC1 c1ccc(cc1)[*:1] C[NH+](Cc1nc(CC[*:1])no1)C1CCC(CO)CC1
C[NH+](Cc1nc(CCc2ccccc2)no1)C1CCC(CO)CC1 c1ccc(cc1)CC[*:1] C[NH+](Cc1nc(no1)[*:1])C1CCC(CO)CC1
C[C@@H](C[C@H]1CCCC[NH2+]1)Nc1ccc(CC(N)=O)cc1 NC(=O)[*:1] C[C@@H](C[C@H]1CCCC[NH2+]1)Nc1ccc(cc1)C[*:1]
C[C@@H](C[C@H]1CCCC[NH2+]1)Nc1ccc(CC(N)=O)cc1 NC(=O)C[*:1] C[C@@H](C[C@H]1CCCC[NH2+]1)Nc1ccc(cc1)[*:1]
COc1ccc2[nH]/c(=N/C(=O)[C@@H]3CC(=O)C(OCc4ccccc4)=CO3)sc2c1 c1ccc(cc1)[*:1] COc1ccc2[nH]/c(=N/C(=O)[C@@H]3CC(=O)C(=CO3)OC[*:1])sc2c1
COc1ccc2[nH]/c(=N/C(=O)[C@@H]3CC(=O)C(OCc4ccccc4)=CO3)sc2c1 c1ccc(cc1)C[*:1] COc1ccc2[nH]/c(=N/C(=O)[C@@H]3CC(=O)C(=CO3)O[*:1])sc2c1
COc1ccc2[nH]/c(=N/C(=O)[C@@H]3CC(=O)C(OCc4ccccc4)=CO3)sc2c1 c1ccc(cc1)CO[*:1] COc1ccc2[nH]/c(=N/C(=O)[C@@H]3CC(=O)C(=CO3)[*:1])sc2c1
CC(C)Cc1nnc([C@H](C)Sc2nnc(-c3ccco3)n2C)o1 c1coc(c1)[*:1] CC(C)Cc1nnc(o1)[C@H](C)Sc1nnc(n1C)[*:1]
CC(C)Cc1nnc([C@H](C)Sc2nnc(-c3ccco3)n2C)o1 CC(C)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1C)c1nnc(C[*:1])o1
CC(C)Cc1nnc([C@H](C)Sc2nnc(-c3ccco3)n2C)o1 CC(C)C[*:1] C[C@H](Sc1nnc(-c2ccco2)n1C)c1nnc(o1)[*:1]
CCSc1nnc(NC(=O)CCc2ccc(C)o2)s1 CCS[*:1] Cc1ccc(CCC(=O)Nc2nnc(s2)[*:1])o1
CCSc1nnc(NC(=O)CCc2ccc(C)o2)s1 Cc1ccc(o1)[*:1] CCSc1nnc(NC(=O)CC[*:1])s1
CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)c1ccc(Cl)c(Cl)c1
CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 CCS(=O)(=O)C[*:1] C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)[*:1]
Cc1ncsc1CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 Cc1ncsc1[*:1] O=C(NC[*:1])c1ccc(cc1)Nc1cc[nH+]cc1
Cc1ncsc1CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 Cc1ncsc1C[*:1] O=C(N[*:1])c1ccc(cc1)Nc1cc[nH+]cc1
C[C@H](C(=O)Nc1cnn(C)c1)N1CC2(CCOCC2)Oc2ccccc2C1=O Cn1cc(cn1)[*:1] C[C@H](C(=O)N[*:1])N1CC2(CCOCC2)Oc2ccccc2C1=O
C[C@H](C(=O)Nc1cnn(C)c1)N1CC2(CCOCC2)Oc2ccccc2C1=O Cn1cc(cn1)NC(=O)[*:1] C[C@H](N1CC2(CCOCC2)Oc2ccccc2C1=O)[*:1]
Cc1cnoc1C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C Cc1cnoc1[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[*:1]
COC(=O)C[C@H]1CN(Cc2cc(C)oc2C)CCO1 COC(=O)C[*:1] Cc1cc(CN2CCO[C@H](C2)[*:1])c(C)o1
COC(=O)C[C@H]1CN(Cc2cc(C)oc2C)CCO1 COC(=O)[*:1] Cc1cc(CN2CCO[C@H](C2)C[*:1])c(C)o1
Cc1nc2ccc(N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C)cc2s1 CC(C)(C)[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)[C@@H](C)NC(=O)[*:1]
Cc1nc2ccc(N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C)cc2s1 CC(C)(C)C(=O)N[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)[C@@H](C)[*:1]
CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1OCC O=C(N1CCc2sccc2C1)[*:1] CCOc1ccc(cc1OCC)C(=O)Nc1cccc(c1C)[*:1]
CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C
CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C
Cc1ccc([C@@H]2CCCN2C(=O)CSc2cccc[n+]2[O-])cc1C [O-][n+]1ccccc1S[*:1] Cc1ccc(cc1C)[C@@H]1CCCN1C(=O)C[*:1]
Cc1ccc([C@@H]2CCCN2C(=O)CSc2cccc[n+]2[O-])cc1C [O-][n+]1ccccc1[*:1] Cc1ccc(cc1C)[C@@H]1CCCN1C(=O)CS[*:1]
Cc1ccc([C@@H]2CCCN2C(=O)CSc2cccc[n+]2[O-])cc1C Cc1ccc(cc1C)[*:1] O=C(CSc1cccc[n+]1[O-])N1CCC[C@H]1[*:1]
COC(=O)[C@H](c1ccccc1Cl)N1CCCSCC1 COC(=O)[*:1] Clc1ccccc1[C@H](N1CCCSCC1)[*:1]
C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(C(F)(F)F)cc1 C(=C[*:1])c1ccccc1 C[C@H](NS(=O)(=O)[*:1])c1ccc(cc1)C(F)(F)F
C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(C(F)(F)F)cc1 c1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)C=C[*:1])c1ccc(cc1)C(F)(F)F
C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(cc1)[*:1]
Cc1cccc(O[C@@H](C)c2nnc(SCc3ccccc3C)n2C)c1 Cc1cccc(c1)[*:1] Cc1ccccc1CSc1nnc([C@H](C)O[*:1])n1C
Cc1cccc(O[C@@H](C)c2nnc(SCc3ccccc3C)n2C)c1 Cc1ccccc1[*:1] Cc1cccc(c1)O[C@@H](C)c1nnc(SC[*:1])n1C
Cc1cccc(O[C@@H](C)c2nnc(SCc3ccccc3C)n2C)c1 Cc1ccccc1C[*:1] Cc1cccc(c1)O[C@@H](C)c1nnc(S[*:1])n1C
Cc1cccc(O[C@@H](C)c2nnc(SCc3ccccc3C)n2C)c1 Cc1cccc(c1)O[*:1] Cc1ccccc1CSc1nnc([C@H](C)[*:1])n1C
CCCCCNC(=O)CSc1cc(C)c2ccccc2n1 CCCCC[*:1] Cc1cc(nc2ccccc12)SCC(=O)N[*:1]
CCCCCNC(=O)CSc1cc(C)c2ccccc2n1 CCC[*:1] Cc1cc(nc2ccccc12)SCC(=O)NCC[*:1]
CCCCCNC(=O)CSc1cc(C)c2ccccc2n1 CCCC[*:1] Cc1cc(nc2ccccc12)SCC(=O)NC[*:1]
C[C@H]1CCCN1c1nc(-c2cccnc2)nc2c1CC[NH2+]C2 C[C@H]1CCCN1[*:1] c1cncc(c1)-c1nc2C[NH2+]CCc2c(n1)[*:1]
C[C@H]1CCCN1c1nc(-c2cccnc2)nc2c1CC[NH2+]C2 c1cncc(c1)[*:1] C[C@H]1CCCN1c1nc(nc2C[NH2+]CCc21)[*:1]
O=C(NO[C@@H]1CCCCO1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(NO[C@@H]1CCCCO1)[C@@H]1CCCN1C(=O)[*:1]
CCOc1ccc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1 Brc1ccc(C[*:1])o1 CCOc1ccc(cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCOc1ccc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1 CCO[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1
CCOc1ccc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1 Brc1ccc(o1)[*:1] CCOc1ccc(cc1)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCOc1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2Br)cc1 CCO[*:1] Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(cc2)[*:1])c(Br)c1
Cc1cnn(CCC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c1 Cc1cnn(c1)CC[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-n1cccn1
Cc1cnn(CCC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c1 c1cnn(c1)[*:1] Cc1cnn(c1)CCC(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1cnn(CCC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c1 Cc1cnn(c1)C[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-n1cccn1
Cc1cnn(CCC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c1 Cc1cnn(c1)[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc(cc1)-n1cccn1
[NH3+]CCOCC(=O)Nc1ccc2c(c1)OCCO2 [NH3+]CCOC[*:1] O=C(Nc1ccc2OCCOc2c1)[*:1]
O=C(Nc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)NCc1csc(n1)[*:1])c1ccco1
O=C(Nc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1)c1ccco1 c1coc(c1)[*:1] O=C(NCc1csc(n1)-c1ccccc1)c1ccccc1NC(=O)[*:1]
O=C(Nc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(NCc1csc(n1)-c1ccccc1)c1ccccc1[*:1]
CC[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[NH2+]CC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CSc1nc2ncc(Br)cc2[n-]1)NC1CC1 C1CC1[*:1] O=C(CSc1nc2ncc(Br)cc2[n-]1)N[*:1]
O=C(CSc1nc2ncc(Br)cc2[n-]1)NC1CC1 O=C(NC1CC1)[*:1] Brc1cnc2nc([n-]c2c1)SC[*:1]
CCn1c(C)cc(/C=C(/C(=O)[O-])c2ccccc2)c1C O=C([O-])[*:1] CCn1c(C)cc(C=C(c2ccccc2)[*:1])c1C
CCn1c(C)cc(/C=C(/C(=O)[O-])c2ccccc2)c1C c1ccc(cc1)[*:1] CCn1c(C)cc(/C=C(/C(=O)[O-])[*:1])c1C
Cc1cc(OCC(=O)NCC(N)=O)ccc1Cl NC(=O)[*:1] Cc1cc(ccc1Cl)OCC(=O)NC[*:1]
Cc1cc(OCC(=O)NCC(N)=O)ccc1Cl NC(=O)C[*:1] Cc1cc(ccc1Cl)OCC(=O)N[*:1]
CC(NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)(c1ccccc1)c1ccccc1 O=[N+]([O-])[*:1] CC(NC(=O)c1cc(cc(c1)[*:1])S(C)(=O)=O)(c1ccccc1)c1ccccc1
CC(NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(NC(=O)c1cc(cc(c1)S(C)(=O)=O)[N+](=O)[O-])(c1ccccc1)[*:1]
CC(NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)(c1ccccc1)c1ccccc1 CS(=O)(=O)[*:1] CC(NC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-])(c1ccccc1)c1ccccc1
Cc1cc(C)cc(OCC(=O)Nc2cccc(-n3cnnn3)c2)c1 c1nnnn1[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)cc(OCC(=O)Nc2cccc(-n3cnnn3)c2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CO[*:1])Nc1cccc(c1)-n1cnnn1
C[C@@H](CC1CC1)[NH2+]C[C@@H](C)Oc1ccccc1 C1CC1[*:1] C[C@@H](C[*:1])[NH2+]C[C@@H](C)Oc1ccccc1
C[C@@H](CC1CC1)[NH2+]C[C@@H](C)Oc1ccccc1 C1CC1C[*:1] C[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1)[*:1]
CSc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 Cc1ccc(cc1)[*:1] CSc1ccc(Cl)c(c1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CSc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 CSc1ccc(Cl)c(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)N1CCCCCC1)S(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] C[C@@H](C(=O)N1CCCCCC1)S(=O)(=O)[*:1]
C[C@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C C[C@H](C(C)(C)C)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)N[*:1]
C[C@H](NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)N(C)CCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
C[NH2+][C@@H](C(OC)OC)[C@H]1CCO[C@]2(CCOC2)C1 COC(OC)[*:1] C[NH2+][C@@H]([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(C)c(C(N)=O)c1 COc1ccccc1[*:1] Cc1ccc(cc1C(N)=O)N[C@H](C)C(=O)N[*:1]
COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(C)c(C(N)=O)c1 NC(=O)[*:1] COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(C)c(c1)[*:1]
CC(=O)Nc1cccc(-n2nnnc2S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 CC(=O)Nc1cccc(c1)[*:1] Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnnn1[*:1]
CC(=O)Nc1cccc(-n2nnnc2S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 CC(=O)N[*:1] Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnnn1-c1cccc(c1)[*:1]
CC(=O)Nc1cccc(-n2nnnc2S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 Cc1[nH]c2ccccc2c1[*:1] CC(=O)Nc1cccc(c1)-n1nnnc1S[C@@H](C)C(=O)[*:1]
CNS(=O)(=O)c1ccc(C(=O)NCCc2cccnc2)o1 CNS(=O)(=O)[*:1] O=C(NCCc1cccnc1)c1ccc(o1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)NCCc2cccnc2)o1 c1cncc(c1)[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)NCC[*:1]
CNS(=O)(=O)c1ccc(C(=O)NCCc2cccnc2)o1 c1cncc(c1)C[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)NC[*:1]
COc1ccccc1[C@@H]1CCN(C(=O)/C=C/c2cn(C)c3ccccc23)C1 COc1ccccc1[*:1] Cn1cc(/C=C/C(=O)N2CC[C@H](C2)[*:1])c2ccccc21
CS(=O)(=O)CCCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CS(=O)(=O)CCC[*:1] O=C(NC[C@@H]1C[C@]12CCc1ccccc12)[*:1]
CS(=O)(=O)CCCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CS(=O)(=O)C[*:1] O=C(CC[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
CS(=O)(=O)CCCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CS(=O)(=O)[*:1] O=C(CCC[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
CS(=O)(=O)CCCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CS(=O)(=O)CC[*:1] O=C(C[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1scnc1C Cc1ncsc1[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1scnc1C CC[S@](=O)[*:1] Cc1ncsc1C(=O)N[C@H]1CCCC[C@H]1[*:1]
CC(C)N(C)C(=O)c1ccc2[nH]cnc2c1 CC(C)[*:1] CN(C(=O)c1ccc2[nH]cnc2c1)[*:1]
Cn1c(=O)c2c(SCC(=O)c3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O O=[N+]([O-])c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)[*:1])SCC(=O)c1ccccc1
Cn1c(=O)c2c(SCC(=O)c3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O O=C(c1ccccc1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccc(cc1)[N+](=O)[O-])SC[*:1]
Cn1c(=O)c2c(SCC(=O)c3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O O=C(CS[*:1])c1ccccc1 Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccc(cc1)[N+](=O)[O-])[*:1]
Cn1c(=O)c2c(SCC(=O)c3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccc(cc1)[N+](=O)[O-])SCC(=O)[*:1]
Cn1c(=O)c2c(SCC(=O)c3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O O=C(C[*:1])c1ccccc1 Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccc(cc1)[N+](=O)[O-])S[*:1]
Cn1c(=O)c2c(SCC(=O)c3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O O=[N+]([O-])[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccc(cc1)[*:1])SCC(=O)c1ccccc1
Cc1nonc1NC(=O)C[C@H](C)c1ccc(C(C)C)cc1 Cc1nonc1[*:1] CC(C)c1ccc(cc1)[C@@H](C)CC(=O)N[*:1]
Cc1nonc1NC(=O)C[C@H](C)c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1nonc1NC(=O)C[C@H](C)c1ccc(cc1)[*:1]
CCCn1c(C)nnc1S[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 CCC[*:1] Cc1nnc(S[C@@H](C)c2ncc(o2)-c2ccc(Cl)cc2)n1[*:1]
CCCn1c(C)nnc1S[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] CCCn1c(C)nnc1S[C@@H](C)c1ncc(o1)[*:1]
COc1ccccc1NC1=C(Sc2nc(C)cc(C)n2)C(=O)N(Cc2ccccc2)C1=O COc1ccccc1[*:1] Cc1cc(C)nc(n1)SC1C(=O)N(Cc2ccccc2)C(=O)C=1N[*:1]
COc1ccccc1NC1=C(Sc2nc(C)cc(C)n2)C(=O)N(Cc2ccccc2)C1=O Cc1cc(C)nc(n1)S[*:1] COc1ccccc1NC1C(=O)N(Cc2ccccc2)C(=O)C=1[*:1]
COc1ccccc1NC1=C(Sc2nc(C)cc(C)n2)C(=O)N(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] COc1ccccc1NC1C(=O)N(C(=O)C=1Sc1nc(C)cc(C)n1)[*:1]
COc1ccccc1NC1=C(Sc2nc(C)cc(C)n2)C(=O)N(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] COc1ccccc1NC1C(=O)N(C[*:1])C(=O)C=1Sc1nc(C)cc(C)n1
COc1ccccc1NC1=C(Sc2nc(C)cc(C)n2)C(=O)N(Cc2ccccc2)C1=O COc1ccccc1N[*:1] Cc1cc(C)nc(n1)SC1C(=O)N(Cc2ccccc2)C(=O)C=1[*:1]
COc1ccccc1NC1=C(Sc2nc(C)cc(C)n2)C(=O)N(Cc2ccccc2)C1=O Cc1cc(C)nc(n1)[*:1] COc1ccccc1NC1C(=O)N(Cc2ccccc2)C(=O)C=1S[*:1]
C[C@H](Oc1ccccc1)C(=O)NC1CCC2(CC1)OCCO2 c1ccc(cc1)O[*:1] C[C@H](C(=O)NC1CCC2(CC1)OCCO2)[*:1]
C[C@H](Oc1ccccc1)C(=O)NC1CCC2(CC1)OCCO2 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NC1CCC2(CC1)OCCO2
CCC1(C(=O)N[C@@H](C)[C@H](O)c2ccc(OC)cc2)CCC1 CCC1(CCC1)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)NC(=O)[*:1]
O=C(CCSc1ccccc1Cl)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 Clc1ccccc1[*:1] O=C(CCS[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1
O=C(CCSc1ccccc1Cl)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 Clc1ccccc1S[*:1] O=C(CC[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1
O=C(CCSc1ccccc1Cl)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 Clc1ccccc1SC[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1
O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1cn2CCCCc2[nH+]1)[*:1]
COc1cc2c(cc1OC)=[NH+][C@@H](C(=O)NCCCN1CCOCC1)C=2 C1CN(CCO1)CC[*:1] COc1cc2=C[C@@H]([NH+]=c2cc1OC)C(=O)NC[*:1]
COc1cc2c(cc1OC)=[NH+][C@@H](C(=O)NCCCN1CCOCC1)C=2 C1CN(CCO1)[*:1] COc1cc2=C[C@@H]([NH+]=c2cc1OC)C(=O)NCCC[*:1]
COc1cc2c(cc1OC)=[NH+][C@@H](C(=O)NCCCN1CCOCC1)C=2 C1CN(CCO1)C[*:1] COc1cc2=C[C@@H]([NH+]=c2cc1OC)C(=O)NCC[*:1]
CSc1ccc(CNC(=O)CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2C)cc1 CSc1ccc(cc1)[*:1] CN1C(=O)CN(C[C@@]1(C)C(=O)NCC(=O)NC[*:1])S(C)(=O)=O
CSc1ccc(CNC(=O)CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2C)cc1 CSc1ccc(cc1)C[*:1] CN1C(=O)CN(C[C@@]1(C)C(=O)NCC(=O)N[*:1])S(C)(=O)=O
O=[N+]([O-])c1cccc2oc(N3C[C@@H]4C[NH2+]C[C@H]4C3)nc12 O=[N+]([O-])[*:1] c1cc(c2nc(oc2c1)N1C[C@@H]2C[NH2+]C[C@H]2C1)[*:1]
CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)NC(C)(C)C)C1 CC(C)(C)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)[C@@H](C)C(=O)N[*:1]
CCc1nc(CN[C@H](c2cccc(F)c2)c2[nH+]ccn2C)cs1 CCc1nc(cs1)[*:1] Cn1cc[nH+]c1[C@H](NC[*:1])c1cccc(F)c1
CCc1nc(CN[C@H](c2cccc(F)c2)c2[nH+]ccn2C)cs1 Fc1cccc(c1)[*:1] CCc1nc(cs1)CN[C@H](c1[nH+]ccn1C)[*:1]
Cc1cc(C)n(CC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)c(=O)n1 O[C@H](Cc1ccccc1)[*:1] Cc1cc(C)n(CC(=O)N2CCC(CC2)[*:1])c(=O)n1
Cc1cc(C)n(CC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)c(=O)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)N2CCC(CC2)[C@H](O)C[*:1])c(=O)n1
Cc1cc(C)n(CC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)c(=O)n1 c1ccc(cc1)C[*:1] Cc1cc(C)n(CC(=O)N2CCC(CC2)[C@H](O)[*:1])c(=O)n1
Cc1cc(C)n(CC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)c(=O)n1 Cc1cc(C)n(c(=O)n1)[*:1] O=C(C[*:1])N1CCC(CC1)[C@H](O)Cc1ccccc1
CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[S@@](=O)C(C)(C)C2)c1 CCNS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N1CC[S@@](=O)C(C)(C)C1)[*:1]
C[C@@H]1CC([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@@H]1CC(C[C@@H](C)O1)[NH+]1CCN(CC1)c1cccc(c1)[*:1]
COc1ccccc1C(C)(C)CNC(=O)c1c(C)nn(C)c1OC COc1ccccc1[*:1] COc1c(C(=O)NCC(C)(C)[*:1])c(C)nn1C
CCC[C@@H](CCO)CNC(=O)c1oc2c(C)ccc(C)c2c1C CCC[*:1] Cc1ccc(C)c2c(C)c(oc12)C(=O)NC[C@H](CCO)[*:1]
CCC[C@@H](CCO)CNC(=O)c1oc2c(C)ccc(C)c2c1C OCC[*:1] CCC[C@@H](CNC(=O)c1oc2c(C)ccc(C)c2c1C)[*:1]
CCC[C@@H](CCO)CNC(=O)c1oc2c(C)ccc(C)c2c1C CCC[C@@H](CCO)[*:1] Cc1ccc(C)c2c(C)c(oc12)C(=O)NC[*:1]
O=C(NC[C@H]1CCCO1)c1nnn(-c2ccccc2)c1-c1ccccn1 c1ccc(nc1)[*:1] O=C(NC[C@H]1CCCO1)c1nnn(-c2ccccc2)c1[*:1]
O=C(NC[C@H]1CCCO1)c1nnn(-c2ccccc2)c1-c1ccccn1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)c1nnn(c1-c1ccccn1)[*:1]
CCOC(=O)CCCNc1ncnc2sc3c(c12)CC[C@H](C)C3 CCOC(=O)C[*:1] C[C@H]1CCc2c(C1)sc1ncnc(NCC[*:1])c21
CCOC(=O)CCCNc1ncnc2sc3c(c12)CC[C@H](C)C3 CCOC(=O)CC[*:1] C[C@H]1CCc2c(C1)sc1ncnc(NC[*:1])c21
CCOC(=O)CCCNc1ncnc2sc3c(c12)CC[C@H](C)C3 CCOC(=O)[*:1] C[C@H]1CCc2c(C1)sc1ncnc(NCCC[*:1])c21
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(C)n1C c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)NCc1ccc(C)n1C
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(C)n1C c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)NCc1ccc(C)n1C)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(C)n1C Cc1ccc(n1C)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(C)n1C Cc1ccc(C[*:1])n1C Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[*:1]
Fc1ccccc1OCCSCc1csc(-c2ccco2)n1 Fc1ccccc1[*:1] c1coc(c1)-c1nc(cs1)CSCCO[*:1]
Fc1ccccc1OCCSCc1csc(-c2ccco2)n1 c1coc(c1)[*:1] Fc1ccccc1OCCSCc1csc(n1)[*:1]
CCC[C@@H](C)C(=O)[C@@H](C)c1ccccn1 CCC[*:1] C[C@H](C(=O)[C@H](C)[*:1])c1ccccn1
CCC[C@@H](C)C(=O)[C@@H](C)c1ccccn1 CCC[C@@H](C)[*:1] C[C@H](C(=O)[*:1])c1ccccn1
COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCSC2)C1 C1C[C@@H](CS1)[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)[*:1]
COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCSC2)C1 COC(=O)[*:1] O=C([C@H]1CCSC1)N1CC[C@H](C1)[*:1]
C[S@@](=O)c1ccc(CNC(=O)N[C@H](CO)c2ccco2)cc1 C[S@@](=O)[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@H](CO)c1ccco1
C[S@@](=O)c1ccc(CNC(=O)N[C@H](CO)c2ccco2)cc1 c1coc(c1)[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)N[C@H](CO)[*:1]
COCC[NH2+][C@@H](C)[C@@H](C)c1ccc(C)cc1C COCC[*:1] Cc1ccc(c(C)c1)[C@H](C)[C@H](C)[NH2+][*:1]
COCC[NH2+][C@@H](C)[C@@H](C)c1ccc(C)cc1C COC[*:1] Cc1ccc(c(C)c1)[C@H](C)[C@H](C)[NH2+]C[*:1]
O=C(NCc1ccco1)Nc1ccc(Cl)c(Cl)c1 c1coc(c1)[*:1] O=C(NC[*:1])Nc1ccc(Cl)c(Cl)c1
O=C(NCc1ccco1)Nc1ccc(Cl)c(Cl)c1 c1coc(c1)C[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N[*:1]
CCCc1cc([O-])nc2nnc(SCC(C)=O)n12 CCC[*:1] CC(=O)CSc1nnc2nc([O-])cc(n12)[*:1]
CCCc1cc([O-])nc2nnc(SCC(C)=O)n12 CC(=O)C[*:1] CCCc1cc([O-])nc2nnc(S[*:1])n12
CCCc1cc([O-])nc2nnc(SCC(C)=O)n12 CC(=O)[*:1] CCCc1cc([O-])nc2nnc(SC[*:1])n12
CCCc1cc([O-])nc2nnc(SCC(C)=O)n12 CC(=O)CS[*:1] CCCc1cc([O-])nc2nnc(n12)[*:1]
Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O c1coc(c1)C[*:1] Cc1ccccc1C(=O)N[C@@]1(N=C(c2ccccc2)N(C1=O)[*:1])C(F)(F)F
Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O Cc1ccccc1C(=O)N[*:1] O=C1N(Cc2ccco2)C(=N[C@]1(C(F)(F)F)[*:1])c1ccccc1
Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O c1ccc(cc1)[*:1] Cc1ccccc1C(=O)N[C@@]1(N=C(N(Cc2ccco2)C1=O)[*:1])C(F)(F)F
Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O c1coc(c1)[*:1] Cc1ccccc1C(=O)N[C@@]1(N=C(c2ccccc2)N(C[*:1])C1=O)C(F)(F)F
Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O Cc1ccccc1[*:1] O=C1N(Cc2ccco2)C(=N[C@]1(NC(=O)[*:1])C(F)(F)F)c1ccccc1
Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O FC(F)(F)[*:1] Cc1ccccc1C(=O)N[C@@]1(N=C(c2ccccc2)N(Cc2ccco2)C1=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)C1 Fc1cccc(F)c1[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)N[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)C1 CC(C)(C)[*:1] O=C(N[C@H]1CCCN(C1)S(=O)(=O)c1c(F)cccc1F)[C@H]1CCCN(C1)C(=O)O[*:1]
COc1cccc(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c1 COc1cccc(c1)[*:1] COc1cc(OC)c(cc1/C=C/C(=O)[*:1])OC
CNS(=O)(=O)c1cccc(NC(=O)N(C)[C@H]2CCC[C@H](C)C2)c1C CNS(=O)(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)N(C)[C@H]1CCC[C@H](C)C1
Oc1ccc(Cn2ccc(C[NH2+]C3CC3)n2)cc1 C1CC1[*:1] Oc1ccc(cc1)Cn1ccc(C[NH2+][*:1])n1
CCC[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 CCC[*:1] O=S1(=O)CCC[C@@H]1C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[*:1]
O[C@@H](CNc1ccc(OC(F)F)cn1)c1ccco1 FC(F)O[*:1] O[C@@H](CNc1ccc(cn1)[*:1])c1ccco1
O[C@@H](CNc1ccc(OC(F)F)cn1)c1ccco1 c1coc(c1)[*:1] O[C@@H](CNc1ccc(cn1)OC(F)F)[*:1]
O[C@@H](CNc1ccc(OC(F)F)cn1)c1ccco1 FC(F)[*:1] O[C@@H](CNc1ccc(cn1)O[*:1])c1ccco1
Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NC[C@@H]2CCC[C@H](O)C2)C1 Cc1cc(F)ccc1[*:1] O=C(NC[C@@H]1CCC[C@H](O)C1)N[C@H]1CCCN(C1)[*:1]
O=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)NC1CCCCC1 O=C(N1CCCCCC1)[*:1] O=C(CSc1cn(C[*:1])c2ccccc12)NC1CCCCC1
O=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(Cn1cc(SC[*:1])c2ccccc21)N1CCCCCC1
O=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)N[*:1]
O=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)NC1CCCCC1 O=C(C[*:1])N1CCCCCC1 O=C(CSc1cn(c2ccccc12)[*:1])NC1CCCCC1
O=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)NC1CCCCC1 O=C(C[*:1])NC1CCCCC1 O=C(Cn1cc(S[*:1])c2ccccc21)N1CCCCCC1
O=C(Cn1cnnc1)N1C[C@@H](C[NH+]2CCCCCC2)[C@@H](CO)C1 c1nncn1[*:1] O=C(C[*:1])N1C[C@@H](C[NH+]2CCCCCC2)[C@@H](CO)C1
O=C(Cn1cnnc1)N1C[C@@H](C[NH+]2CCCCCC2)[C@@H](CO)C1 c1nncn1C[*:1] O=C(N1C[C@@H](C[NH+]2CCCCCC2)[C@@H](CO)C1)[*:1]
CN1CCN(C(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)CC1 C1CCC(C1)[*:1] CN1CCN(CC1)C(=O)c1cn(c(=O)c2c1c1ccccc1n2C)[*:1]
CN1CCN(C(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)CC1 CN1CCN(CC1)C(=O)[*:1] Cn1c2ccccc2c2c(cn(c(=O)c21)C1CCCC1)[*:1]
COC(=O)c1ccc(NC(=O)C2CN(C(=O)c3cc(C)on3)C2)cc1 COC(=O)[*:1] Cc1cc(no1)C(=O)N1CC(C1)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)C2CN(C(=O)c3cc(C)on3)C2)cc1 Cc1cc(no1)[*:1] COC(=O)c1ccc(cc1)NC(=O)C1CN(C1)C(=O)[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(CC1)[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(c2ccc(Cl)cn2)CC1 Cc1cccc(C)c1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)c1ccc(Cl)cn1
CN(C)C(=O)c1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 CN(C)C(=O)[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)Nc1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 O=C1CCCN1[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)Cc1ccc(cc1)[*:1]
Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 FC(F)O[*:1] Cc1ccc(c(c1)[C@@H](C)[NH2+]C[C@H]1CN(CCO1)C1CC1)[*:1]
Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 C1CC1[*:1] Cc1ccc(OC(F)F)c(c1)[C@@H](C)[NH2+]C[C@H]1CN(CCO1)[*:1]
Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 FC(F)[*:1] Cc1ccc(O[*:1])c(c1)[C@@H](C)[NH2+]C[C@H]1CN(CCO1)C1CC1
CCn1c(=O)c2ccccc2n2c(COc3cc(Cl)c(Cl)cc3Cl)nnc12 Clc1cc(Cl)c(cc1Cl)[*:1] CCn1c(=O)c2ccccc2n2c(CO[*:1])nnc12
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(C)c2nn(-c3ccccc3)c(-n3cccc3)c2c1=O c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(C)c2nn(c(c2c1=O)-n1cccc1)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(C)c2nn(-c3ccccc3)c(-n3cccc3)c2c1=O Cc1ccc(Cl)cc1[*:1] Cc1nn(c(=O)c2c(-n3cccc3)n(nc12)-c1ccccc1)[C@H](C)C(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(C)c2nn(-c3ccccc3)c(-n3cccc3)c2c1=O c1ccn(c1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(C)c2nn(-c3ccccc3)c(c2c1=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(C)c2nn(-c3ccccc3)c(-n3cccc3)c2c1=O Cc1ccc(Cl)cc1NC(=O)[*:1] Cc1nn(c(=O)c2c(-n3cccc3)n(nc12)-c1ccccc1)[C@H](C)[*:1]
COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc(Cl)cc1C(F)(F)F
COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1S(=O)(=O)N1CCCCC1 FC(F)(F)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccc(Cl)cc1[*:1]
O=C(Cc1ccc(OC(F)F)cc1)N1CCc2c(F)ccc(F)c2C1 FC(F)O[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCc2c(F)ccc(F)c2C1
O=C(Cc1ccc(OC(F)F)cc1)N1CCc2c(F)ccc(F)c2C1 FC(F)[*:1] O=C(Cc1ccc(cc1)O[*:1])N1CCc2c(F)ccc(F)c2C1
COCc1cc(C(=O)Nc2ccc(F)cc2Cl)ccc1F COC[*:1] O=C(Nc1ccc(F)cc1Cl)c1ccc(F)c(c1)[*:1]
CC(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2ccoc12 c1cc(c2occc2c1)[*:1] CC(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
CC(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2ccoc12 CC(C)[*:1] O=C(NC[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2ccoc12
CC(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2ccoc12 CC(C)CNC(=O)[*:1] O=C(c1cccc2ccoc12)N1Cc2ccccc2C[C@H]1[*:1]
CC(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2ccoc12 CC(C)C[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2ccoc12
COc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](CCO)c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(NC[C@@H](CCO)c1ccccc1)N1CCC[C@H]1[*:1]
COc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](CCO)c2ccccc2)c1 OCC[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)[*:1]
COc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](CCO)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)NC[C@@H](CCO)[*:1]
COc1ccc(C[C@H](O)Cc2ccn(C(C)C)n2)cn1 CC(C)[*:1] COc1ccc(cn1)C[C@H](O)Cc1ccn(n1)[*:1]
COCCCN(C)C(=O)C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 COCCC[*:1] CN(C(=O)C(=O)Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2)[*:1]
COCCCN(C)C(=O)C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 COCC[*:1] CN(C[*:1])C(=O)C(=O)Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2
COCCCN(C)C(=O)C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 COC[*:1] CN(CC[*:1])C(=O)C(=O)Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2
O=S(=O)(CCC1CC1)Nc1ccccc1Nc1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(CCC1CC1)Nc1ccccc1N[*:1]
O=S(=O)(CCC1CC1)Nc1ccccc1Nc1ccccc1 C1CC1CC[*:1] O=S(=O)(Nc1ccccc1Nc1ccccc1)[*:1]
O=S(=O)(CCC1CC1)Nc1ccccc1Nc1ccccc1 c1ccc(cc1)N[*:1] O=S(=O)(CCC1CC1)Nc1ccccc1[*:1]
O=S(=O)(CCC1CC1)Nc1ccccc1Nc1ccccc1 C1CC1[*:1] O=S(=O)(CC[*:1])Nc1ccccc1Nc1ccccc1
O=S(=O)(CCC1CC1)Nc1ccccc1Nc1ccccc1 C1CC1C[*:1] O=S(=O)(C[*:1])Nc1ccccc1Nc1ccccc1
CCCc1nnsc1C(=O)N1CCN(c2ccccc2OC)C[C@@H]1C COc1ccccc1[*:1] CCCc1nnsc1C(=O)N1CCN(C[C@@H]1C)[*:1]
CCCc1nnsc1C(=O)N1CCN(c2ccccc2OC)C[C@@H]1C CCC[*:1] COc1ccccc1N1CCN(C(=O)c2snnc2[*:1])[C@@H](C)C1
CCCc1nnsc1C(=O)N1CCN(c2ccccc2OC)C[C@@H]1C CCCc1nnsc1[*:1] COc1ccccc1N1CCN(C(=O)[*:1])[C@@H](C)C1
CCCn1nc(C(=O)N[C@H](C)c2ccccc2Br)ccc1=O Brc1ccccc1[*:1] CCCn1nc(ccc1=O)C(=O)N[C@H](C)[*:1]
CCCn1nc(C(=O)N[C@H](C)c2ccccc2Br)ccc1=O CCC[*:1] C[C@@H](NC(=O)c1ccc(=O)n(n1)[*:1])c1ccccc1Br
COc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)C(C)C CC(C)[*:1] COc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(c1)-c1csc(C)n1)[*:1]
COc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)C(C)C COc1ccccc1[*:1] Cc1nc(cs1)-c1cccc(c1)NC(=O)[C@@H](NC(=O)[*:1])C(C)C
COc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)C(C)C Cc1nc(cs1)[*:1] COc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(c1)[*:1])C(C)C
O=C1[C@@H]2C=C[C@@H](C=CC2)C1(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H]2C=C[C@@H](C=CC2)C1(c1ccccc1)[*:1]
N#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 O=[N+]([O-])[*:1] N#C[C@@H](NC(=O)c1ccc(cc1Cl)[*:1])c1ccc(Cl)c(Cl)c1
N#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] N#C[C@@H](NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])[*:1]
CCOc1ccc2c(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)cc(=O)oc2c1 CCO[*:1] Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc(=O)oc3cc(ccc23)[*:1])c1C
CCOc1ccc2c(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)cc(=O)oc2c1 Cc1ccccc1C[*:1] CCOc1ccc2c(cc(=O)oc2c1)C(=O)Nc1c(C)nn(c1C)[*:1]
CCOc1ccc2c(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)cc(=O)oc2c1 Cc1ccccc1[*:1] CCOc1ccc2c(cc(=O)oc2c1)C(=O)Nc1c(C)nn(C[*:1])c1C
O=C(NCC[S@](=O)Cc1ccccc1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCC[S@](=O)Cc1ccccc1)NC[*:1]
O=C(NCC[S@](=O)Cc1ccccc1)NCc1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(NCC[S@](=O)[*:1])NCc1ccc(F)cc1
O=C(NCC[S@](=O)Cc1ccccc1)NCc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(NCC[S@](=O)C[*:1])NCc1ccc(F)cc1
CN(Cc1cccc(O)c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 Oc1cccc(c1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)NC(=O)c1ccc(F)cc1
CN(Cc1cccc(O)c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)NC(=O)[*:1]
CN(Cc1cccc(O)c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 Oc1cccc(c1)C[*:1] CN(C(=O)c1cccc(c1)NC(=O)c1ccc(F)cc1)[*:1]
Cc1cc(C)c2nc(NC(=O)c3ccccc3S(C)(=O)=O)sc2c1 CS(=O)(=O)[*:1] Cc1cc(C)c2nc(NC(=O)c3ccccc3[*:1])sc2c1
CCCC(=O)Nc1ccc(CNc2cccc(F)c2C(C)=O)cc1 CCC[*:1] CC(=O)c1c(F)cccc1NCc1ccc(cc1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(CNc2cccc(F)c2C(C)=O)cc1 CCCC(=O)N[*:1] CC(=O)c1c(F)cccc1NCc1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(CNc2cccc(F)c2C(C)=O)cc1 CC(=O)[*:1] CCCC(=O)Nc1ccc(cc1)CNc1cccc(F)c1[*:1]
Cc1noc(C)c1CN(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 Cc1noc(C)c1[*:1] CN(C[*:1])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1
CO[C@@H]1CCCC[C@H]1NC(=O)N(C)CCN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)N(C)CCN1CCN(CC1)[*:1]
CC1=C(n2nnc3ccccc32)[C@@H](c2ccccc2)C(C#N)=C(N)O1 c1ccc(cc1)[*:1] CC1OC(N)=C(C#N)[C@H](C=1n1nnc2ccccc21)[*:1]
CCN[C@H](Cc1ccc(C(F)(F)F)cc1)C(C)(C)[NH+](C)C FC(F)(F)[*:1] CCN[C@H](Cc1ccc(cc1)[*:1])C(C)(C)[NH+](C)C
CCN[C@H](Cc1ccc(C(F)(F)F)cc1)C(C)(C)[NH+](C)C CCN[*:1] C[NH+](C)C(C)(C)[C@@H](Cc1ccc(cc1)C(F)(F)F)[*:1]
COc1c(NC(=O)Nc2cccc(NC(C)=O)c2C)c(C)nn1C CC(=O)N[*:1] COc1c(NC(=O)Nc2cccc(c2C)[*:1])c(C)nn1C
Cc1cnc(CCNC(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)s1 Cc1cnc(s1)[*:1] CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)NCC[*:1]
Cc1cnc(CCNC(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)s1 Cc1cnc(C[*:1])s1 CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)NC[*:1]
Cc1cnc(CCNC(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)s1 Cc1cnc(CC[*:1])s1 CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)N[*:1]
COc1ccc(/C=C(\C(N)=S)c2nc3cccnc3n2C)cc1OC NC(=S)[*:1] COc1ccc(C=C(c2nc3cccnc3n2C)[*:1])cc1OC
O=C(Nc1nnc(C2CCCCC2)o1)[C@@H]1COc2ccccc2O1 C1CCC(CC1)[*:1] O=C(Nc1nnc(o1)[*:1])[C@@H]1COc2ccccc2O1
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc3c(c2)CCCC3)CN1CC CCNC(=O)[*:1] CCN1C[C@H](C[C@H]1[*:1])NC(=O)c1cnc2CCCCc2c1
C[C@@H](Sc1cc2c(cc1Cl)OCCO2)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] C[C@@H](Sc1cc2OCCOc2cc1Cl)C(=O)N[*:1]
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCn1ccnn1 c1cn(CCC[*:1])nn1 Cc1cc(ccc1NC(=O)[*:1])Oc1ncccc1C#N
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCn1ccnn1 c1cn(nn1)[*:1] Cc1cc(ccc1NC(=O)CCC[*:1])Oc1ncccc1C#N
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCn1ccnn1 c1cn(CC[*:1])nn1 Cc1cc(ccc1NC(=O)C[*:1])Oc1ncccc1C#N
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCn1ccnn1 N#Cc1cccnc1[*:1] Cc1cc(ccc1NC(=O)CCCn1ccnn1)O[*:1]
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCn1ccnn1 N#Cc1cccnc1O[*:1] Cc1cc(ccc1NC(=O)CCCn1ccnn1)[*:1]
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 Cc1cc(ccc1NC(=O)CC[*:1])Oc1ncccc1C#N
COCc1ccc([C@H](O)c2sccc2C)cc1 COC[*:1] Cc1ccsc1[C@@H](O)c1ccc(cc1)[*:1]
CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)c1 CCO[*:1] Cc1ccc2oc3C(=O)N(C)[C@H](c4cccc(c4)[*:1])c3c(=O)c2c1
Cn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCOCC3)c2)cn1 Cn1cc(cn1)C[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCCOCC1
Cn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCOCC3)c2)cn1 Cn1cc(cn1)[*:1] O=C(NC[*:1])c1cccc(c1)S(=O)(=O)N1CCCOCC1
Cc1nc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)sc1-c1nccn1C Cn1ccnc1[*:1] Cc1nc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)sc1[*:1]
Cc1nn(CC(C)C)c(Cl)c1CN1CCN(Cc2ccc(C#N)cc2)C(=O)C1 CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1CN1CCN(Cc2ccc(C#N)cc2)C(=O)C1
Cc1nn(CC(C)C)c(Cl)c1CN1CCN(Cc2ccc(C#N)cc2)C(=O)C1 CC(C)C[*:1] Cc1nn(c(Cl)c1CN1CCN(Cc2ccc(C#N)cc2)C(=O)C1)[*:1]
Cc1nn(CC(C)C)c(Cl)c1CN1CCN(Cc2ccc(C#N)cc2)C(=O)C1 N#Cc1ccc(cc1)[*:1] Cc1nn(CC(C)C)c(Cl)c1CN1CCN(C[*:1])C(=O)C1
Cc1nn(CC(C)C)c(Cl)c1CN1CCN(Cc2ccc(C#N)cc2)C(=O)C1 N#Cc1ccc(cc1)C[*:1] Cc1nn(CC(C)C)c(Cl)c1CN1CCN(C(=O)C1)[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 C[C@H]1C[C@@H]1[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)[*:1])C(C)(C)C[NH+](C)C
CCCNC(=O)CN1C[C@@H]([NH3+])[C@@H](C)CC1=O CCC[*:1] C[C@H]1CC(=O)N(CC(=O)N[*:1])C[C@H]1[NH3+]
O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 O=S(=O)(N[*:1])c1ccccc1 O=C(c1ccc(cc1)C[*:1])N1CCC(CC1)Cc1ccccc1
O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)CNS(=O)(=O)c1ccccc1)N1CCC(CC1)C[*:1]
O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(cc1)CNS(=O)(=O)c1ccccc1)N1CCC(CC1)[*:1]
O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)CNS(=O)(=O)[*:1])N1CCC(CC1)Cc1ccccc1
C[C@@H](O)CC(C)(C)CNC(=O)/C=C/c1cccnc1 c1cncc(c1)[*:1] C[C@@H](O)CC(C)(C)CNC(=O)C=C[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)/C=C/c1cccnc1 C[C@@H](O)[*:1] CC(C)(CNC(=O)/C=C/c1cccnc1)C[*:1]
CC(C)[C@@H](C)N(C(=O)NCCc1cn2ccccc2n1)C1CC1 C1CC1[*:1] CC(C)[C@@H](C)N(C(=O)NCCc1cn2ccccc2n1)[*:1]
CC(C)[C@@H](C)N(C(=O)NCCc1cn2ccccc2n1)C1CC1 CC(C)[*:1] C[C@@H](N(C(=O)NCCc1cn2ccccc2n1)C1CC1)[*:1]
c1csc(-c2nc(C[NH2+]Cc3ccc(C4OCCO4)cc3)cs2)c1 C1COC(O1)[*:1] c1csc(c1)-c1nc(cs1)C[NH2+]Cc1ccc(cc1)[*:1]
c1csc(-c2nc(C[NH2+]Cc3ccc(C4OCCO4)cc3)cs2)c1 c1csc(c1)[*:1] c1cc(ccc1C[NH2+]Cc1csc(n1)[*:1])C1OCCO1
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C1 CC(C)(C)[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@@H](C1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCCNC(=O)CSC1=NS(=O)(=O)c2ccc(C)cc2N1 CCC[*:1] Cc1ccc2c(c1)NC(=NS2(=O)=O)SCC(=O)N[*:1]
CCCNC(=O)CSC1=NS(=O)(=O)c2ccc(C)cc2N1 CCCNC(=O)C[*:1] Cc1ccc2c(c1)NC(=NS2(=O)=O)S[*:1]
CCCNC(=O)CSC1=NS(=O)(=O)c2ccc(C)cc2N1 CCCNC(=O)[*:1] Cc1ccc2c(c1)NC(=NS2(=O)=O)SC[*:1]
CCCN(CC1CC1)C(=O)N[C@H]1CCCc2c1cnn2C CCC[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)N[C@H]1CCCc2c1cnn2C C1CC1[*:1] CCCN(C[*:1])C(=O)N[C@H]1CCCc2c1cnn2C
CCCN(CC1CC1)C(=O)N[C@H]1CCCc2c1cnn2C C1CC1C[*:1] CCCN(C(=O)N[C@H]1CCCc2c1cnn2C)[*:1]
Fc1cccc(Cl)c1CN(c1cc(-n2ccnc2)ncn1)C1CC1 c1cn(cn1)[*:1] Fc1cccc(Cl)c1CN(c1cc(ncn1)[*:1])C1CC1
Fc1cccc(Cl)c1CN(c1cc(-n2ccnc2)ncn1)C1CC1 C1CC1[*:1] Fc1cccc(Cl)c1CN(c1cc(ncn1)-n1ccnc1)[*:1]
Fc1cccc(Cl)c1CN(c1cc(-n2ccnc2)ncn1)C1CC1 Fc1cccc(Cl)c1[*:1] c1cn(cn1)-c1cc(ncn1)N(C[*:1])C1CC1
Cc1ccc(-[n+]2noc([O-])c2CNCCc2ccc(S(N)(=O)=O)cc2)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1)-[n+]1noc([O-])c1CNCCc1ccc(cc1)[*:1]
Cc1ccc(-[n+]2noc([O-])c2CNCCc2ccc(S(N)(=O)=O)cc2)cc1 Cc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNCc1c([O-])on[n+]1[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CC)CCO3)cc1 CCO[*:1] CCN1CCOc2ccc(cc2C1=O)NS(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CC)CCO3)cc1 CCOc1ccc(cc1)[*:1] CCN1CCOc2ccc(cc2C1=O)NS(=O)(=O)[*:1]
NC(=O)[C@H]1CC(=O)N(c2cccc(-c3nc4ccccc4s3)c2)C1 NC(=O)[*:1] O=C1C[C@@H](CN1c1cccc(c1)-c1nc2ccccc2s1)[*:1]
Cc1ccc(CN2/C(=N/C(=O)Cc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
Cc1ccc(CN2/C(=N/C(=O)Cc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 Cc1ccc(cc1)C[*:1] O=C(Cc1ccccc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1ccc(CN2/C(=N/C(=O)Cc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccccc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1C[*:1]
Cc1ccc(CN2/C(=N/C(=O)Cc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)CN1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CSCCCCNC(=O)Nc1c[nH]nc1-c1ccccn1 CSCC[*:1] O=C(NCC[*:1])Nc1c[nH]nc1-c1ccccn1
CSCCCCNC(=O)Nc1c[nH]nc1-c1ccccn1 CSCCC[*:1] O=C(NC[*:1])Nc1c[nH]nc1-c1ccccn1
CSCCCCNC(=O)Nc1c[nH]nc1-c1ccccn1 CSC[*:1] O=C(NCCC[*:1])Nc1c[nH]nc1-c1ccccn1
CSCCCCNC(=O)Nc1c[nH]nc1-c1ccccn1 CSCCCC[*:1] O=C(Nc1c[nH]nc1-c1ccccn1)N[*:1]
CSCCCCNC(=O)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] CSCCCCNC(=O)Nc1c[nH]nc1[*:1]
CC(C)(CO)[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CO)[C@@H](C[NH2+]C1CCN(CC1)c1ccccc1)[*:1]
CC(C)(CO)[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 CC(C)(CO)[*:1] c1ccc(cc1)[C@H](C[NH2+]C1CCN(CC1)c1ccccc1)[*:1]
CC(C)(CO)[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CO)[C@@H](C[NH2+]C1CCN(CC1)[*:1])c1ccccc1
CO[C@H](CNC(=O)c1ccoc1C)c1ccc(F)cc1 Cc1occc1[*:1] CO[C@H](CNC(=O)[*:1])c1ccc(F)cc1
CC1=NCCN1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C CC(C)[*:1] CC1=NCCN1S(=O)(=O)c1c(cc(cc1C(C)C)[*:1])C(C)C
CC1=NCCN1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C CC(C)[*:1] CC1=NCCN1S(=O)(=O)c1c(cc(cc1[*:1])C(C)C)C(C)C
CCc1nn(C)cc1C(=O)O[C@H](CC)C(=O)OC COC(=O)[*:1] CCc1nn(C)cc1C(=O)O[C@H](CC)[*:1]
CC(C)(CNC(=O)N1CCC(OC2CCCC2)CC1)c1ccncc1 C1CCC(C1)O[*:1] CC(C)(CNC(=O)N1CCC(CC1)[*:1])c1ccncc1
CC(C)(CNC(=O)N1CCC(OC2CCCC2)CC1)c1ccncc1 C1CCC(C1)[*:1] CC(C)(CNC(=O)N1CCC(CC1)O[*:1])c1ccncc1
CC(C)(CNC(=O)N1CCC(OC2CCCC2)CC1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N1CCC(CC1)OC1CCCC1)[*:1]
O=C1N(CCCc2ccccc2)CCC[C@]1(O)CN1CCOCC1 c1ccc(cc1)[*:1] O=C1N(CCC[C@]1(O)CN1CCOCC1)CCC[*:1]
O=C1N(CCCc2ccccc2)CCC[C@]1(O)CN1CCOCC1 C1CN(CCO1)[*:1] O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[*:1]
O=C1N(CCCc2ccccc2)CCC[C@]1(O)CN1CCOCC1 C1CN(CCO1)C[*:1] O=C1N(CCCc2ccccc2)CCC[C@@]1(O)[*:1]
O=C1N(CCCc2ccccc2)CCC[C@]1(O)CN1CCOCC1 c1ccc(cc1)C[*:1] O=C1N(CCC[C@]1(O)CN1CCOCC1)CC[*:1]
O=C1N(CCCc2ccccc2)CCC[C@]1(O)CN1CCOCC1 c1ccc(cc1)CC[*:1] O=C1N(CCC[C@]1(O)CN1CCOCC1)C[*:1]
C[C@H]1CN(CCCCNC(=O)c2ccccc2-c2cncnc2)C[C@H](C)O1 c1ncc(cn1)[*:1] C[C@H]1CN(CCCCNC(=O)c2ccccc2[*:1])C[C@H](C)O1
C[C@@H](Cc1cccc(F)c1)NC(=O)Nc1ccc2c(c1)COC2 Fc1cccc(c1)[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccc2COCc2c1
O=S(=O)(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=S(=O)(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NNc1ccc(-n2cccn2)nn1)[C@H]1CCCO1 c1cnn(c1)[*:1] C[C@H](NC(=O)NNc1ccc(nn1)[*:1])[C@H]1CCCO1
C[C@H](NC(=O)NNc1ccc(-n2cccn2)nn1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)NNc1ccc(nn1)-n1cccn1)[*:1]
COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCC[C@@H](C)[C@H]3C)C2)cc(C(=O)OC)c1 COC(=O)[*:1] COC(=O)c1cc(cc(c1)[*:1])NC(=O)[C@@H]1CC(=O)N(C1)[C@H]1CCC[C@@H](C)[C@H]1C
CC[NH+]1CCN(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 COc1cccc(c1)[*:1] CC[NH+]1CCN(CC1)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
O=C1Nc2cc(S(=O)(=O)NC3CCCCCCC3)ccc2S[C@@H]1C(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=C1Nc2cc(ccc2S[C@H]1[*:1])S(=O)(=O)NC1CCCCCCC1
O=C1Nc2cc(S(=O)(=O)NC3CCCCCCC3)ccc2S[C@@H]1C(=O)N1CCCCCC1 C1CCCC(CCC1)[*:1] O=C1Nc2cc(ccc2S[C@@H]1C(=O)N1CCCCCC1)S(=O)(=O)N[*:1]
O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1 Clc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(Nc1ccccc1Cl)C1CCN(CC1)S(=O)(=O)[*:1]
CCc1noc(CNc2ccccc2Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CCc1noc(CNc2ccccc2[*:1])n1
CCc1noc(CNc2ccccc2Cc2ccccc2)n1 c1ccc(cc1)[*:1] CCc1noc(CNc2ccccc2C[*:1])n1
CCc1noc(CNc2ccccc2Cc2ccccc2)n1 CCc1noc(n1)[*:1] c1ccc(cc1)Cc1ccccc1NC[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 CC(C)C[*:1] CS(=O)(=O)N[C@H]1CCCN(C1)C(=O)[C@@H](C[NH3+])[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 CS(=O)(=O)N[*:1] CC(C)C[C@H](C[NH3+])C(=O)N1CCC[C@H](C1)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 CC(C)[*:1] CS(=O)(=O)N[C@H]1CCCN(C1)C(=O)[C@@H](C[NH3+])C[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)c1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CSc1ccccc1NC(=O)CN(C)C(=O)c1csc(n1)[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)c1csc(-c2ccccc2)n1 CSc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)c1csc(n1)-c1ccccc1
CCCC[C@@H](C(=O)[O-])[C@]1(O)COc2cc(O)ccc21 CCCC[*:1] O=C([O-])[C@@H]([C@]1(O)COc2cc(O)ccc21)[*:1]
CCCC[C@@H](C(=O)[O-])[C@]1(O)COc2cc(O)ccc21 O=C([O-])[*:1] CCCC[C@@H]([C@]1(O)COc2cc(O)ccc21)[*:1]
CCCC[C@@H](C(=O)[O-])[C@]1(O)COc2cc(O)ccc21 CCC[*:1] O=C([O-])[C@H](C[*:1])[C@]1(O)COc2cc(O)ccc21
C[C@H](Sc1ccc(S(C)(=O)=O)cc1)c1ccc(C(=O)[O-])o1 O=C([O-])[*:1] C[C@H](Sc1ccc(cc1)S(C)(=O)=O)c1ccc(o1)[*:1]
C[C@H](Sc1ccc(S(C)(=O)=O)cc1)c1ccc(C(=O)[O-])o1 CS(=O)(=O)[*:1] C[C@H](Sc1ccc(cc1)[*:1])c1ccc(o1)C(=O)[O-]
C=C(C)C[C@@H]([NH2+]CC)c1ccc(F)c(C)c1 C=C(C)C[*:1] CC[NH2+][C@@H](c1ccc(F)c(C)c1)[*:1]
C=C(C)C[C@@H]([NH2+]CC)c1ccc(F)c(C)c1 C=C(C)[*:1] CC[NH2+][C@H](C[*:1])c1ccc(F)c(C)c1
Cc1cccc(C)c1OCC(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 Cc1cccc(C)c1O[*:1] CN(C)c1ncc2c(=O)[nH]c(cc2n1)C1CCN(CC1)C(=O)C[*:1]
Cc1cccc(C)c1OCC(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 Cc1cccc(C)c1OC[*:1] CN(C)c1ncc2c(=O)[nH]c(cc2n1)C1CCN(CC1)C(=O)[*:1]
Cc1cccc(C)c1OCC(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 Cc1cccc(C)c1[*:1] CN(C)c1ncc2c(=O)[nH]c(cc2n1)C1CCN(CC1)C(=O)CO[*:1]
Cc1cccc(C)c1OCC(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 CN(C)[*:1] Cc1cccc(C)c1OCC(=O)N1CCC(CC1)c1cc2nc(ncc2c(=O)[nH]1)[*:1]
CC(C)(C)c1ccc(OCC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 CC(C)(C)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)NC(=O)COc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(OCC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 CS(=O)(=O)[*:1] CC(C)(C)c1ccc(cc1)OCC(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
Cc1nonc1C[C@@]1(C(=O)[O-])CCC[NH2+]C1 O=C([O-])[*:1] Cc1nonc1C[C@]1(CCC[NH2+]C1)[*:1]
Cc1ccc(C(=O)N[C@H](C)c2ccco2)c(N)c1 c1coc(c1)[*:1] Cc1ccc(C(=O)N[C@H](C)[*:1])c(N)c1
O=C(Nc1cc(-c2ccccc2)on1)N1CCO[C@H](c2ccccc2F)C1 c1ccc(cc1)[*:1] O=C(Nc1cc(on1)[*:1])N1CCO[C@@H](C1)c1ccccc1F
O=C(Nc1cc(-c2ccccc2)on1)N1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(Nc1cc(on1)-c1ccccc1)N1CCO[C@H](C1)[*:1]
Cc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2CCN2CCOCC2)cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)[C@H]1C(C(=O)c2c(C)nc3c(C)cccn23)=C([O-])C(=O)N1[*:1]
Cc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2CCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)[C@H]1C(C(=O)c2c(C)nc3c(C)cccn23)=C([O-])C(=O)N1C[*:1]
Cc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H]1C(C(=O)c2c(C)nc3c(C)cccn23)=C([O-])C(=O)N1CC[*:1]
Cc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2CCN2CCOCC2)cc1 Cc1nc2c(C)cccn2c1[*:1] Cc1ccc(cc1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CCN1CCOCC1
Cc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2CCN2CCOCC2)cc1 Cc1ccc(cc1)[*:1] Cc1nc2c(C)cccn2c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1[*:1]
Cc1ccc(CNC(=O)c2nn(C)c3ccccc3c2=O)cc1 Cc1ccc(cc1)[*:1] Cn1nc(C(=O)NC[*:1])c(=O)c2ccccc21
COc1cccc(C(=O)NC[C@H](C)N(C)c2ccccc2)c1F c1ccc(cc1)[*:1] COc1cccc(C(=O)NC[C@H](C)N(C)[*:1])c1F
COCCNC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 Clc1cccc(c1)[*:1] COCCNC(=O)N1CCC[C@H](C1)c1nnc(s1)C(=O)N[*:1]
COCCNC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 COC[*:1] O=C(Nc1cccc(Cl)c1)c1nnc(s1)[C@@H]1CCCN(C1)C(=O)NC[*:1]
COCCNC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 COCC[*:1] O=C(Nc1cccc(Cl)c1)c1nnc(s1)[C@@H]1CCCN(C1)C(=O)N[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)N[C@H](C(=O)[O-])[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)N[C@H](c1ccccc1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)C1 CC(C)(C)[*:1] O=C(N[C@H](C(=O)[O-])c1ccccc1)[C@H]1CCCN(C1)C(=O)O[*:1]
CC(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCOC2)cc1C C1C[C@H](CO1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N(C)C[*:1]
CC(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCOC2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N(C)C[C@@H]1CCOC1
COc1c(I)cc(/C=C/C(=S)N2CCOCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1c(I)cc(/C=C/C(=S)N2CCOCC2)cc1[*:1]
CCN(CC)c1ncnc(Oc2ccc(OC)cc2)c1N CCN(CC)[*:1] COc1ccc(cc1)Oc1ncnc(c1N)[*:1]
COCCn1cc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)cn1 COC[*:1] Cc1ccc(O[C@@H](C)C(=O)Nc2cnn(c2)C[*:1])c(Br)c1
COCCn1cc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)cn1 COCC[*:1] Cc1ccc(O[C@@H](C)C(=O)Nc2cnn(c2)[*:1])c(Br)c1
NC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)nn1 O=C(N[*:1])c1ccc(Br)o1 NC(=O)c1ccc(nn1)NC(=O)c1cccc(c1)[*:1]
NC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)nn1 Brc1ccc(o1)[*:1] NC(=O)c1ccc(nn1)NC(=O)c1cccc(c1)NC(=O)[*:1]
NC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)nn1 NC(=O)[*:1] O=C(Nc1ccc(nn1)[*:1])c1cccc(c1)NC(=O)c1ccc(Br)o1
NC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)nn1 NC(=O)c1ccc(nn1)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1ccc(Br)o1
COCCCOc1cc(C)ccc1CNC(=O)N1CCCC1(C)C COCCC[*:1] Cc1ccc(CNC(=O)N2CCCC2(C)C)c(c1)O[*:1]
COCCCOc1cc(C)ccc1CNC(=O)N1CCCC1(C)C COCC[*:1] Cc1ccc(CNC(=O)N2CCCC2(C)C)c(c1)OC[*:1]
COCCCOc1cc(C)ccc1CNC(=O)N1CCCC1(C)C COCCCO[*:1] Cc1ccc(CNC(=O)N2CCCC2(C)C)c(c1)[*:1]
COCCCOc1cc(C)ccc1CNC(=O)N1CCCC1(C)C COC[*:1] Cc1ccc(CNC(=O)N2CCCC2(C)C)c(c1)OCC[*:1]
C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1cccc2ccccc12 Fc1cccc(c1)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1cccc2ccccc12
O=C(N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 c1cc(ccn1)[*:1] O=C(N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
O=C(N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 O=[N+]([O-])[*:1] O=C(N[N-]S(=O)(=O)c1ccccc1[*:1])c1ccncc1
Cc1nccn1-c1ccc([C@H](C)NC(=O)CC2=CCCCC2)cc1 Cc1nccn1[*:1] C[C@H](NC(=O)CC1=CCCCC1)c1ccc(cc1)[*:1]
Cc1ncsc1C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C CN(C)[*:1] Cc1ncsc1C[NH2+][C@@H](C)c1ccc(F)cc1[*:1]
Cc1ncsc1C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C Cc1ncsc1[*:1] C[C@H]([NH2+]C[*:1])c1ccc(F)cc1N(C)C
Cc1c(Cl)cccc1-n1ccnc(NCCc2ccccc2)c1=O c1ccc(cc1)C[*:1] Cc1c(Cl)cccc1-n1ccnc(NC[*:1])c1=O
Cc1c(Cl)cccc1-n1ccnc(NCCc2ccccc2)c1=O Cc1c(Cl)cccc1[*:1] O=c1c(nccn1[*:1])NCCc1ccccc1
Cc1c(Cl)cccc1-n1ccnc(NCCc2ccccc2)c1=O c1ccc(cc1)[*:1] Cc1c(Cl)cccc1-n1ccnc(NCC[*:1])c1=O
Cc1c(Cl)cccc1-n1ccnc(NCCc2ccccc2)c1=O c1ccc(cc1)CC[*:1] Cc1c(Cl)cccc1-n1ccnc(N[*:1])c1=O
CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2c[nH]nc2-c2ccccn2)CC1 c1ccc(nc1)[*:1] CC[NH+]1CCN(CC1)C[C@@H](C)CNC(=O)Nc1c[nH]nc1[*:1]
CC(C)C(=O)Nc1ccc(SCC(=O)Nc2ccc(C(C)C)cc2)nn1 CC(C)[*:1] CC(C)C(=O)Nc1ccc(nn1)SCC(=O)Nc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(SCC(=O)Nc2ccc(C(C)C)cc2)nn1 CC(C)[*:1] CC(C)c1ccc(cc1)NC(=O)CSc1ccc(nn1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(SCC(=O)Nc2ccc(C(C)C)cc2)nn1 CC(C)C(=O)N[*:1] CC(C)c1ccc(cc1)NC(=O)CSc1ccc(nn1)[*:1]
CCC[NH+](C)Cc1cc2c(cc1N)OCCO2 CCC[*:1] C[NH+](Cc1cc2OCCOc2cc1N)[*:1]
Cc1csc([C@@H](C)NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)c1cc(ccc1Cl)S(C)(=O)=O)[*:1]
Cc1csc([C@@H](C)NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)n1 CS(=O)(=O)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)c1cc(ccc1Cl)[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c(OC)c1 CC(C)N(C)[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)Nc1ccc(c(F)c1)[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c(OC)c1 CC(C)[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)Nc1ccc(c(F)c1)N(C)[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)N1CCC[C@@H]1[*:1]
Cc1cc(NC(=O)N[C@H](C)CCCO)n(C)n1 OCCC[*:1] Cc1cc(NC(=O)N[C@H](C)[*:1])n(C)n1
Cc1cc(NC(=O)N[C@H](C)CCCO)n(C)n1 OCC[*:1] Cc1cc(NC(=O)N[C@H](C)C[*:1])n(C)n1
CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccco2)NC(=S)N1 c1ccc(cc1)C[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1ccco1
CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccco2)NC(=S)N1 c1coc(c1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)NCc1ccccc1)[*:1]
CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccco2)NC(=S)N1 c1ccc(cc1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)NC[*:1])c1ccco1
O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cc(-c2ccc(F)cc2)n[nH]1 Fc1ccc(cc1)[*:1] O=C(N[C@H]1CCCN(C1)c1ncccn1)c1cc(n[nH]1)[*:1]
O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cc(-c2ccc(F)cc2)n[nH]1 c1cnc(nc1)[*:1] O=C(N[C@H]1CCCN(C1)[*:1])c1cc(n[nH]1)-c1ccc(F)cc1
CSCc1cccc(NC(=O)CNC(=O)c2cc3occc3n2C)c1 CSC[*:1] Cn1c(cc2occc21)C(=O)NCC(=O)Nc1cccc(c1)[*:1]
O=C1CSc2ccc([N-]S(=O)(=O)CCC3CC3)cc2N1 C1CC1C[*:1] O=C1CSc2ccc(cc2N1)[N-]S(=O)(=O)C[*:1]
O=C1CSc2ccc([N-]S(=O)(=O)CCC3CC3)cc2N1 C1CC1[*:1] O=C1CSc2ccc(cc2N1)[N-]S(=O)(=O)CC[*:1]
O=C1CSc2ccc([N-]S(=O)(=O)CCC3CC3)cc2N1 C1CC1CC[*:1] O=C1CSc2ccc(cc2N1)[N-]S(=O)(=O)[*:1]
COc1ccccc1/C=C/C(=O)NC(=S)Nc1cccc(Cl)c1C Cc1c(Cl)cccc1[*:1] COc1ccccc1/C=C/C(=O)NC(=S)N[*:1]
COc1ccccc1/C=C/C(=O)NC(=S)Nc1cccc(Cl)c1C COc1ccccc1[*:1] Cc1c(Cl)cccc1NC(=S)NC(=O)C=C[*:1]
Cn1cnnc1Sc1ccc(NC(=O)c2ccc(F)cc2O)cc1 Cn1cnnc1[*:1] O=C(Nc1ccc(cc1)S[*:1])c1ccc(F)cc1O
Cn1cnnc1Sc1ccc(NC(=O)c2ccc(F)cc2O)cc1 Oc1cc(F)ccc1[*:1] Cn1cnnc1Sc1ccc(cc1)NC(=O)[*:1]
Cn1cnnc1Sc1ccc(NC(=O)c2ccc(F)cc2O)cc1 Cn1cnnc1S[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(F)cc1O
O=C(Nc1ccnn1Cc1ccccn1)N[C@H]1C[C@H]1c1cccc(Cl)c1 c1ccc(nc1)[*:1] O=C(Nc1ccnn1C[*:1])N[C@H]1C[C@H]1c1cccc(Cl)c1
O=C(Nc1ccnn1Cc1ccccn1)N[C@H]1C[C@H]1c1cccc(Cl)c1 c1ccc(C[*:1])nc1 O=C(Nc1ccnn1[*:1])N[C@H]1C[C@H]1c1cccc(Cl)c1
O=C(Nc1ccnn1Cc1ccccn1)N[C@H]1C[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nc1ccnn1Cc1ccccn1)N[C@H]1C[C@@H]1[*:1]
CCCN(C(=O)c1ccc(Br)cc1O)C1CCC([NH3+])CC1 [NH3+]C1CCC(CC1)[*:1] CCCN(C(=O)c1ccc(Br)cc1O)[*:1]
CCCN(C(=O)c1ccc(Br)cc1O)C1CCC([NH3+])CC1 CCC[*:1] [NH3+]C1CCC(CC1)N(C(=O)c1ccc(Br)cc1O)[*:1]
Cc1ccc(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 Cc1ccc(cc1)C[*:1] O=C(C[*:1])NCc1nc(no1)-c1ccc(Cl)cc1
Cc1ccc(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(CC[*:1])NCc1nc(no1)-c1ccc(Cl)cc1
Cc1ccc(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)CCC(=O)NCc1nc(no1)[*:1]
O=C(CC(=O)c1ccccc1)NCc1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(CC(=O)[*:1])NCc1ccc(Cl)cc1Cl
C[C@@H](CC(=O)NCCc1ncnn1C)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](CC(=O)NCCc1ncnn1C)NC(=O)[*:1]
C[C@@H](CC(=O)NCCc1ncnn1C)NC(=O)C1CCCCC1 Cn1ncnc1C[*:1] C[C@@H](CC(=O)NC[*:1])NC(=O)C1CCCCC1
C[C@@H](CC(=O)NCCc1ncnn1C)NC(=O)C1CCCCC1 Cn1ncnc1[*:1] C[C@@H](CC(=O)NCC[*:1])NC(=O)C1CCCCC1
CCCCc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1 CCC[*:1] Cc1nc(C)c(CCC(=O)Nc2ccc(cc2)C[*:1])c(=O)[nH]1
CCCCc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1 CCCC[*:1] Cc1nc(C)c(CCC(=O)Nc2ccc(cc2)[*:1])c(=O)[nH]1
CCC[NH2+][C@@H](C1CC1)[C@@]1(C)CCCO1 C1CC1[*:1] CCC[NH2+][C@@H]([C@@]1(C)CCCO1)[*:1]
CCC[NH2+][C@@H](C1CC1)[C@@]1(C)CCCO1 CCC[*:1] C[C@@]1(CCCO1)[C@@H]([NH2+][*:1])C1CC1
COc1ccccc1-c1nnc(-c2cc3ccccc3cc2OC)o1 COc1ccccc1[*:1] COc1cc2ccccc2cc1-c1nnc(o1)[*:1]
CN(CCOCC1CC1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 C1CC1COC[*:1] CN(C[*:1])C(=O)c1cnn2c(ccnc12)-c1ccccc1
CN(CCOCC1CC1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 C1CC1CO[*:1] CN(CC[*:1])C(=O)c1cnn2c(ccnc12)-c1ccccc1
CN(CCOCC1CC1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 C1CC1[*:1] CN(CCOC[*:1])C(=O)c1cnn2c(ccnc12)-c1ccccc1
CN(CCOCC1CC1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 C1CC1C[*:1] CN(CCO[*:1])C(=O)c1cnn2c(ccnc12)-c1ccccc1
CN(CCOCC1CC1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 c1ccc(cc1)[*:1] CN(CCOCC1CC1)C(=O)c1cnn2c(ccnc12)[*:1]
CN(CCOCC1CC1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 C(C[*:1])OCC1CC1 CN(C(=O)c1cnn2c(ccnc12)-c1ccccc1)[*:1]
N#CCCN(Cc1cc(Cl)ccc1N)c1ccccc1 N#CC[*:1] Nc1ccc(Cl)cc1CN(C[*:1])c1ccccc1
N#CCCN(Cc1cc(Cl)ccc1N)c1ccccc1 c1ccc(cc1)[*:1] N#CCCN(Cc1cc(Cl)ccc1N)[*:1]
N#CCCN(Cc1cc(Cl)ccc1N)c1ccccc1 N#CCC[*:1] Nc1ccc(Cl)cc1CN(c1ccccc1)[*:1]
CCCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCCC(=O)Nc1ccccc1N1CCN(CC1)C(=O)[*:1]
CCCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 CCC[*:1] O=C(c1ccccc1)N1CCN(CC1)c1ccccc1NC(=O)[*:1]
CCCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 CCCC(=O)N[*:1] O=C(c1ccccc1)N1CCN(CC1)c1ccccc1[*:1]
CCc1ccccc1NC(=O)CCC(=O)N1CCC[C@H]1c1ccc(C(N)=O)s1 CCc1ccccc1[*:1] NC(=O)c1ccc(s1)[C@@H]1CCCN1C(=O)CCC(=O)N[*:1]
CCc1ccccc1NC(=O)CCC(=O)N1CCC[C@H]1c1ccc(C(N)=O)s1 NC(=O)[*:1] CCc1ccccc1NC(=O)CCC(=O)N1CCC[C@H]1c1ccc(s1)[*:1]
CCc1ccccc1NC(=O)CCC(=O)N1CCC[C@H]1c1ccc(C(N)=O)s1 NC(=O)c1ccc(s1)[*:1] CCc1ccccc1NC(=O)CCC(=O)N1CCC[C@@H]1[*:1]
COc1ccc(C[NH+]2CCC(NC(N)=O)CC2)cc1SC NC(=O)N[*:1] COc1ccc(cc1SC)C[NH+]1CCC(CC1)[*:1]
Cc1cc(C[NH+](C)Cc2cccc(-c3cnn(C)c3)c2)no1 Cc1cc(C[*:1])no1 Cn1cc(cn1)-c1cccc(c1)C[NH+](C)[*:1]
Cc1cc(C[NH+](C)Cc2cccc(-c3cnn(C)c3)c2)no1 Cn1cc(cn1)[*:1] Cc1cc(C[NH+](C)Cc2cccc(c2)[*:1])no1
Cc1cc(C[NH+](C)Cc2cccc(-c3cnn(C)c3)c2)no1 Cc1cc(no1)[*:1] Cn1cc(cn1)-c1cccc(c1)C[NH+](C)C[*:1]
COC(=O)C[C@H](C)NC(=O)OCc1ccccc1 COC(=O)[*:1] C[C@@H](C[*:1])NC(=O)OCc1ccccc1
COC(=O)C[C@H](C)NC(=O)OCc1ccccc1 c1ccc(cc1)[*:1] COC(=O)C[C@H](C)NC(=O)OC[*:1]
COC(=O)C[C@H](C)NC(=O)OCc1ccccc1 COC(=O)C[*:1] C[C@H](NC(=O)OCc1ccccc1)[*:1]
O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1[*:1]
O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] O=C(Nc1ncc(C[*:1])s1)c1ccccc1[N+](=O)[O-]
O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1[N+](=O)[O-] Clc1ccc(cc1)C[*:1] O=C(Nc1ncc(s1)[*:1])c1ccccc1[N+](=O)[O-]
CCCCNC(=O)COc1ccc(Cl)cc1C(=O)[O-] CCC[*:1] O=C(COc1ccc(Cl)cc1C(=O)[O-])NC[*:1]
CCCCNC(=O)COc1ccc(Cl)cc1C(=O)[O-] O=C([O-])[*:1] CCCCNC(=O)COc1ccc(Cl)cc1[*:1]
CCCCNC(=O)COc1ccc(Cl)cc1C(=O)[O-] CCCC[*:1] O=C(COc1ccc(Cl)cc1C(=O)[O-])N[*:1]
Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3ccc(Cl)cc3)c(=O)n2c1 Clc1ccc(cc1)[*:1] Cc1ccc2nc3c(cc(C#N)c(=O)n3[*:1])c(=O)n2c1
COCCn1/c(=N/C(=O)c2cccc(Br)c2)sc2cc(NC(C)=O)ccc21 CC(=O)N[*:1] COCCn1/c(=N/C(=O)c2cccc(Br)c2)sc2cc(ccc21)[*:1]
COCCn1/c(=N/C(=O)c2cccc(Br)c2)sc2cc(NC(C)=O)ccc21 COCC[*:1] CC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)c1cccc(Br)c1)n2[*:1]
COCCn1/c(=N/C(=O)c2cccc(Br)c2)sc2cc(NC(C)=O)ccc21 Brc1cccc(c1)[*:1] COCCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)NC(C)=O
COCCn1/c(=N/C(=O)c2cccc(Br)c2)sc2cc(NC(C)=O)ccc21 COC[*:1] CC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)c1cccc(Br)c1)n2C[*:1]
O=C1[C@H](Cc2ccccc2)[C@@H](O)C=CN1CCc1cc2ccccc2[nH]1 c1ccc(cc1)[*:1] O=C1[C@H](C[*:1])[C@@H](O)C=CN1CCc1cc2ccccc2[nH]1
O=C1[C@H](Cc2ccccc2)[C@@H](O)C=CN1CCc1cc2ccccc2[nH]1 c1ccc(cc1)C[*:1] O=C1[C@H]([C@@H](O)C=CN1CCc1cc2ccccc2[nH]1)[*:1]
O=C1C[C@H]([NH+]2CCOCC2)C=C1Nc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](C=C1N[*:1])[NH+]1CCOCC1
COc1ccc(C[NH2+]Cc2c(C(C)C)nn(C)c2Cl)cn1 CC(C)[*:1] COc1ccc(cn1)C[NH2+]Cc1c(nn(C)c1Cl)[*:1]
O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)s1 Clc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)C(=O)N1CCC[C@@H](C1)C(=O)NCc1cccnc1
O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)s1 c1cncc(c1)[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)s1 O=C(NCc1cccnc1)[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)C(=O)N1CCC[C@H](C1)[*:1]
O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)s1 c1cncc(c1)C[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)s1 O=C(Nc1ccc(Cl)cc1)[*:1] O=C(NCc1cccnc1)[C@H]1CCCN(C1)C(=O)c1nnc(s1)[*:1]
CC[C@H]([NH2+]C)c1ccc(OCC(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] CC[C@H]([NH2+]C)c1ccc(cc1)OC[*:1]
CC[C@H]([NH2+]C)c1ccc(OCC(=O)NC2CC2)cc1 C1CC1[*:1] CC[C@H]([NH2+]C)c1ccc(cc1)OCC(=O)N[*:1]
Cc1ccsc1C(=O)NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] Cc1ccsc1[*:1] O=C(NNC(=O)[*:1])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]
Cc1ccsc1C(=O)NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1ccsc1C(=O)NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
CCOc1cccc(NC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 CCO[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC(CC1)[C@@H](O)c1ccc(Cl)cc1
CCOc1cccc(NC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 CCOc1cccc(c1)[*:1] O=C(N[*:1])N1CCC(CC1)[C@@H](O)c1ccc(Cl)cc1
CCOc1cccc(NC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 O[C@@H](c1ccc(Cl)cc1)[*:1] CCOc1cccc(c1)NC(=O)N1CCC(CC1)[*:1]
CCOc1cccc(NC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] CCOc1cccc(c1)NC(=O)N1CCC(CC1)[C@@H](O)[*:1]
CCOC(=O)c1oc2cc3sc(N(C)C)nc3cc2c1C CCOC(=O)[*:1] Cc1c(oc2cc3sc(nc3cc12)N(C)C)[*:1]
CCOC(=O)c1oc2cc3sc(N(C)C)nc3cc2c1C CN(C)[*:1] CCOC(=O)c1oc2cc3sc(nc3cc2c1C)[*:1]
O=C(NCC1CC1)C(=O)NC1=C[C@H]2N=CC=C2C=C1 C1CC1[*:1] O=C(NC[*:1])C(=O)NC1C=CC2=CC=N[C@@H]2C=1
O=C(NCC1CC1)C(=O)NC1=C[C@H]2N=CC=C2C=C1 C1CC1C[*:1] O=C(NC1C=CC2=CC=N[C@@H]2C=1)C(=O)N[*:1]
COc1ccc(CN(C)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1F COc1ccc(cc1F)[*:1] CN(C[*:1])C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
CSc1ccccc1C(=O)NCc1cc[nH]n1 c1cc(n[nH]1)[*:1] CSc1ccccc1C(=O)NC[*:1]
CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1[*:1]
CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(Cl)cc1 CCOC(=O)[*:1] CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)C[C@]1(C)O)[*:1]
CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(Cl)cc1 CCOC(=O)[*:1] CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H]([C@H]1c1ccc(Cl)cc1)[*:1]
Cc1cc([C@H]2CCCN2C(=O)[C@H]2CCCCC[C@@H]2[NH3+])on1 Cc1cc(on1)[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)N1CCC[C@@H]1[*:1]
CC(C)N(C(=O)CSC(=S)N1CCCCC1)C(C)C CC(C)[*:1] CC(C)N(C(=O)CSC(=S)N1CCCCC1)[*:1]
Cc1nc(SCC(=O)N(Cc2ccccc2)c2ccccc2)c(C#N)c(C)c1C c1ccc(cc1)[*:1] Cc1nc(SCC(=O)N(C[*:1])c2ccccc2)c(C#N)c(C)c1C
Cc1nc(SCC(=O)N(Cc2ccccc2)c2ccccc2)c(C#N)c(C)c1C c1ccc(cc1)[*:1] Cc1nc(SCC(=O)N(Cc2ccccc2)[*:1])c(C#N)c(C)c1C
Cc1nc(SCC(=O)N(Cc2ccccc2)c2ccccc2)c(C#N)c(C)c1C c1ccc(cc1)C[*:1] Cc1nc(SCC(=O)N(c2ccccc2)[*:1])c(C#N)c(C)c1C
COc1ccc(CC[NH+]2CCN([C@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](CC2)CC[*:1])on1
COc1ccc(CC[NH+]2CCN([C@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 COc1ccc(cc1)C[*:1] Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](CC2)C[*:1])on1
COc1ccc(CC[NH+]2CCN([C@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 Cc1cc(NC(=O)[*:1])on1 COc1ccc(cc1)CC[NH+]1CCN(CC1)[C@H](C)[*:1]
COc1ccc(CC[NH+]2CCN([C@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 Cc1cc(on1)[*:1] COc1ccc(cc1)CC[NH+]1CCN(CC1)[C@H](C)C(=O)N[*:1]
Nc1c(Nc2ccc(Cl)cn2)nc[nH+]c1Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] Nc1c(nc[nH+]c1Nc1ccc(Cl)cn1)N[*:1]
Nc1c(Nc2ccc(Cl)cn2)nc[nH+]c1Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] Nc1c(nc[nH+]c1N[*:1])Nc1ccc(Cl)cn1
CC(=O)N1CCC(C(=O)Nc2sc(C)c(-c3ccccc3)c2C#N)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1sc(C)c(c1C#N)[*:1]
CCCc1nsc(N[C@@H](C)CCCCl)n1 ClCC[*:1] CCCc1nsc(n1)N[C@@H](C)C[*:1]
CCCc1nsc(N[C@@H](C)CCCCl)n1 ClCCC[*:1] CCCc1nsc(n1)N[C@@H](C)[*:1]
CCCc1nsc(N[C@@H](C)CCCCl)n1 CCC[*:1] C[C@@H](CCCCl)Nc1nc(ns1)[*:1]
COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)CCn1c(n[nH]c1=S)[*:1]
O=S(=O)(C[C@@H]1CCCO1)N(Cc1ccco1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(C[C@@H]1CCCO1)N(Cc1ccco1)[*:1]
O=S(=O)(C[C@@H]1CCCO1)N(Cc1ccco1)c1ccccc1 c1coc(c1)[*:1] O=S(=O)(C[C@@H]1CCCO1)N(C[*:1])c1ccccc1
O=S(=O)(C[C@@H]1CCCO1)N(Cc1ccco1)c1ccccc1 c1coc(c1)C[*:1] O=S(=O)(C[C@@H]1CCCO1)N(c1ccccc1)[*:1]
c1ccc2ncc([C@]3(C4CC4)CCCCC[NH2+]3)cc2c1 C1CC1[*:1] c1ccc2ncc(cc2c1)[C@@]1(CCCCC[NH2+]1)[*:1]
CS(=O)(=O)CCSCCCS SCC[*:1] CS(=O)(=O)CCSC[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1cnn(CC(F)F)c1 FC(F)[*:1] CC[C@H](CSC)N(C)C(=O)Nc1cnn(c1)C[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1cnn(CC(F)F)c1 FC(F)C[*:1] CC[C@H](CSC)N(C)C(=O)Nc1cnn(c1)[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1cnn(CC(F)F)c1 CSC[*:1] CC[C@H](N(C)C(=O)Nc1cnn(c1)CC(F)F)[*:1]
O=C(NCCO)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCCO)N[C@@H]1CCC[C@H]1c1ccccc1[*:1]
O=C(NCCO)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F OCC[*:1] O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)N[*:1]
O=C(NCCO)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F O=C(NCCO)N[*:1] FC(F)(F)c1ccccc1[C@@H]1CCC[C@H]1[*:1]
CC(=O)c1ccc(N2CCN(CN3C(=O)NC4(CCCCC4)C3=O)CC2)cc1 CC(=O)[*:1] O=C1NC2(CCCCC2)C(=O)N1CN1CCN(CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CCN(CN3C(=O)NC4(CCCCC4)C3=O)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C1NC2(CCCCC2)C(=O)N1CN1CCN(CC1)[*:1]
C[C@H](NC(=O)N(CCCO)CC(C)(C)C)c1cccc(C#N)c1 OCC[*:1] C[C@H](NC(=O)N(CC(C)(C)C)C[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)N(CCCO)CC(C)(C)C)c1cccc(C#N)c1 CC(C)(C)C[*:1] C[C@H](NC(=O)N(CCCO)[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)N(CCCO)CC(C)(C)C)c1cccc(C#N)c1 OCCC[*:1] C[C@H](NC(=O)N(CC(C)(C)C)[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)N(CCCO)CC(C)(C)C)c1cccc(C#N)c1 CC(C)(C)[*:1] C[C@H](NC(=O)N(CCCO)C[*:1])c1cccc(C#N)c1
Cc1n[nH]c(-c2cccc(CNC(=O)C[C@H]3CSCCS3)c2)n1 Cc1n[nH]c(n1)[*:1] O=C(C[C@H]1CSCCS1)NCc1cccc(c1)[*:1]
O=C(c1ccccc1)N1CCN(CC2=CC3=CC=N[C@H]3C=C2)CC1 c1ccc(cc1)[*:1] O=C(N1CCN(CC1)CC1C=C[C@@H]2N=CC=C2C=1)[*:1]
Cn1cc(CN2CCC[C@H]2C(=O)OC(C)(C)C)c(=O)n(C)c1=O CC(C)(C)OC(=O)[*:1] Cn1cc(CN2CCC[C@@H]2[*:1])c(=O)n(C)c1=O
Cn1cc(CN2CCC[C@H]2C(=O)OC(C)(C)C)c(=O)n(C)c1=O CC(C)(C)[*:1] Cn1cc(CN2CCC[C@H]2C(=O)O[*:1])c(=O)n(C)c1=O
CCc1nnsc1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 CCc1nnsc1[*:1] O=C(N1CCC(CC1)C(O)(c1ccccc1)c1ccccc1)[*:1]
CCc1nnsc1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCc1nnsc1C(=O)N1CCC(CC1)C(O)(c1ccccc1)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(CC1)c1ccccc1[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(c2ccccc2[N+](=O)[O-])CC1 Cc1cccc(C)c1[*:1] C[C@H](C(=O)NCC(=O)N[*:1])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(CC1)[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)[C@@H](C)n1nnc(n1)[*:1]
CCCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1C CCCNC(=O)[*:1] Cc1cccc(c1C)-n1c(nc2cc(Cl)ccc2c1=O)SC[*:1]
CCCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1C CCC[*:1] Cc1cccc(c1C)-n1c(nc2cc(Cl)ccc2c1=O)SCC(=O)N[*:1]
CCCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1C CCCNC(=O)CS[*:1] Cc1cccc(c1C)-n1c(nc2cc(Cl)ccc2c1=O)[*:1]
CCCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1C Cc1cccc(c1C)[*:1] CCCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1[*:1]
CCCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1C CCCNC(=O)C[*:1] Cc1cccc(c1C)-n1c(nc2cc(Cl)ccc2c1=O)S[*:1]
Cc1csc(N2CCN(C(=O)NCc3cc4ccccc4o3)CC2)n1 Cc1csc(n1)[*:1] O=C(NCc1cc2ccccc2o1)N1CCN(CC1)[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)c1nc(-c2ccccc2)oc1C CSc1ccccc1[*:1] Cc1oc(nc1C(=O)N(C)CC(=O)N[*:1])-c1ccccc1
CSc1ccccc1NC(=O)CN(C)C(=O)c1nc(-c2ccccc2)oc1C c1ccc(cc1)[*:1] CSc1ccccc1NC(=O)CN(C)C(=O)c1nc(oc1C)[*:1]
Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1-c1cccc(F)c1 Fc1cccc(c1)[*:1] Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1[*:1]
COC[C@H](C)[NH+]1CCN(CC(=O)NCc2ccc(C)c(F)c2)CC1 Cc1ccc(cc1F)[*:1] COC[C@H](C)[NH+]1CCN(CC1)CC(=O)NC[*:1]
COC[C@H](C)[NH+]1CCN(CC(=O)NCc2ccc(C)c(F)c2)CC1 COC[*:1] Cc1ccc(cc1F)CNC(=O)CN1CC[NH+](CC1)[C@@H](C)[*:1]
CCC1(C(=O)[O-])CCN(c2nc[nH+]c3c2CCCC3)CC1 O=C([O-])[*:1] CCC1(CCN(CC1)c1nc[nH+]c2CCCCc12)[*:1]
CC(C)c1ccc(NC(=O)[C@H]2CSCCC(=O)N2)cc1 CC(C)[*:1] O=C1CCSC[C@@H](N1)C(=O)Nc1ccc(cc1)[*:1]
O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4ccc(F)cc4c32)c1 O=[N+]([O-])c1cccc(c1)[*:1] Fc1ccc2ncc3c(nn(c3c2c1)[*:1])-c1ccccc1
O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4ccc(F)cc4c32)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)-n1nc(c2cnc3ccc(F)cc3c21)[*:1]
O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4ccc(F)cc4c32)c1 O=[N+]([O-])[*:1] Fc1ccc2ncc3c(nn(-c4cccc(c4)[*:1])c3c2c1)-c1ccccc1
CC(C)C[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)c1ccccc1 Cn1ccc(n1)[*:1] CC(C)C[C@@H](NC(=O)C(=O)N[*:1])c1ccccc1
CC(C)C[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)[*:1]
CC(C)C[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)c1ccccc1 CC(C)C[*:1] Cn1ccc(n1)NC(=O)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)C[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)c1ccccc1 CC(C)[*:1] Cn1ccc(n1)NC(=O)C(=O)N[C@H](C[*:1])c1ccccc1
O=C(NC[C@H]1CCCO1)c1cc2scc(Br)c2n1Cc1cccc(F)c1 C1CO[C@H](C1)C[*:1] O=C(N[*:1])c1cc2scc(Br)c2n1Cc1cccc(F)c1
O=C(NC[C@H]1CCCO1)c1cc2scc(Br)c2n1Cc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NC[C@H]1CCCO1)c1cc2scc(Br)c2n1C[*:1]
O=C(NC[C@H]1CCCO1)c1cc2scc(Br)c2n1Cc1cccc(F)c1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])c1cc2scc(Br)c2n1Cc1cccc(F)c1
O=C(NC[C@H]1CCCO1)c1cc2scc(Br)c2n1Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(NC[C@H]1CCCO1)c1cc2scc(Br)c2n1[*:1]
O=C(Nc1ccccc1)[C@@H]1CC(=O)N(CCC2=c3cc(F)ccc3=[NH+]C2)C1 O=C(Nc1ccccc1)[*:1] O=C1C[C@H](CN1CCC1C[NH+]=c2ccc(F)cc2=1)[*:1]
O=C(Nc1ccccc1)[C@@H]1CC(=O)N(CCC2=c3cc(F)ccc3=[NH+]C2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CCC2C[NH+]=c3ccc(F)cc3=2)C1
CC[C@@H](C)C[NH+]1CCN(Cc2ccco2)CC1 c1coc(c1)[*:1] CC[C@@H](C)C[NH+]1CCN(CC1)C[*:1]
CC[C@@H](C)C[NH+]1CCN(Cc2ccco2)CC1 CC[C@@H](C)[*:1] c1coc(c1)CN1CC[NH+](CC1)C[*:1]
Cc1ccc(Cl)c(O[C@@H](C)C(=O)OCC(N)=O)c1 NC(=O)[*:1] Cc1ccc(Cl)c(c1)O[C@@H](C)C(=O)OC[*:1]
Cc1ccc(Cl)c(O[C@@H](C)C(=O)OCC(N)=O)c1 NC(=O)C[*:1] Cc1ccc(Cl)c(c1)O[C@@H](C)C(=O)O[*:1]
CCCc1cc2c(c(=O)n1CCO)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 Clc1ccccc1[*:1] CCCc1cc2OC(N)=C(C#N)[C@@H](c2c(=O)n1CCO)[*:1]
CCCc1cc2c(c(=O)n1CCO)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 OCC[*:1] CCCc1cc2OC(N)=C(C#N)[C@@H](c3ccccc3Cl)c2c(=O)n1[*:1]
CCCc1cc2c(c(=O)n1CCO)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 CCC[*:1] N#CC1=C(N)Oc2cc(n(CCO)c(=O)c2[C@@H]1c1ccccc1Cl)[*:1]
CCOC(=O)[C@@H](F)[C@@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] CCOC(=O)[C@@H](F)[C@@H](C)[NH2+]C1CCN(CC1)C(=O)N[*:1]
CCOC(=O)[C@@H](F)[C@@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 CCOC(=O)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)NC1CCCCC1)[C@H](F)[*:1]
CC(C)(C)NC(=O)NC(=O)CN1CCO[C@H](CO)C1 CC(C)(C)[*:1] O=C(CN1CCO[C@H](CO)C1)NC(=O)N[*:1]
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1OC(F)(F)F FC(F)(F)[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1O[*:1]
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1OC(F)(F)F FC(F)(F)O[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1[*:1]
CCNC(=O)NC1(C(=O)N2CC[C@@H](OCCC(C)C)C2)CCCC1 CCNC(=O)N[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)C1(CCCC1)[*:1]
CCNC(=O)NC1(C(=O)N2CC[C@@H](OCCC(C)C)C2)CCCC1 CC(C)CCO[*:1] CCNC(=O)NC1(CCCC1)C(=O)N1CC[C@@H](C1)[*:1]
CCNC(=O)NC1(C(=O)N2CC[C@@H](OCCC(C)C)C2)CCCC1 CC(C)CC[*:1] CCNC(=O)NC1(CCCC1)C(=O)N1CC[C@H](C1)O[*:1]
CCNC(=O)NC1(C(=O)N2CC[C@@H](OCCC(C)C)C2)CCCC1 CC(C)[*:1] CCNC(=O)NC1(CCCC1)C(=O)N1CC[C@H](C1)OCC[*:1]
CCNC(=O)NC1(C(=O)N2CC[C@@H](OCCC(C)C)C2)CCCC1 CC(C)C[*:1] CCNC(=O)NC1(CCCC1)C(=O)N1CC[C@H](C1)OC[*:1]
C[C@@H](C(=O)N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 O=C(N1CCCCC1)[*:1] C[C@@H](N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)[*:1]
C[C@@H](C(=O)N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] C[C@@H](C(=O)N1CCCCC1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)Cn2cccn2)c1 c1cnn(c1)C[*:1] Cc1ccc(c(c1)NC[C@@H](C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)Cn2cccn2)c1 c1cnn(c1)[*:1] Cc1ccc(c(c1)NC[C@@H](C)C[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)Cn2cccn2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)NC[C@@H](C)Cn1cccn1)[*:1]
CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)C1 FC(F)(F)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NCc1ccc(F)cc1[*:1]
COc1cc2[nH]nc(CC(=O)[O-])c2cc1OC(C)C O=C([O-])[*:1] COc1cc2[nH]nc(C[*:1])c2cc1OC(C)C
COc1cc2[nH]nc(CC(=O)[O-])c2cc1OC(C)C O=C([O-])C[*:1] COc1cc2[nH]nc(c2cc1OC(C)C)[*:1]
COc1cc2[nH]nc(CC(=O)[O-])c2cc1OC(C)C CC(C)[*:1] COc1cc2[nH]nc(CC(=O)[O-])c2cc1O[*:1]
COc1cc2[nH]nc(CC(=O)[O-])c2cc1OC(C)C CC(C)O[*:1] COc1cc2[nH]nc(CC(=O)[O-])c2cc1[*:1]
CN(CC[C@H]1CCCCO1)C(=O)[C@H]1C=C(Cn2ccc3ccccc32)N=N1 C1CC[C@@H](OC1)[*:1] CN(CC[*:1])C(=O)[C@H]1C=C(Cn2ccc3ccccc32)N=N1
CN(CC[C@H]1CCCCO1)C(=O)[C@H]1C=C(Cn2ccc3ccccc32)N=N1 C1CC[C@H](C[*:1])OC1 CN(C[*:1])C(=O)[C@H]1C=C(Cn2ccc3ccccc32)N=N1
CN(CC[C@H]1CCCCO1)C(=O)[C@H]1C=C(Cn2ccc3ccccc32)N=N1 C1CC[C@H](CC[*:1])OC1 CN(C(=O)[C@H]1C=C(Cn2ccc3ccccc32)N=N1)[*:1]
CN(CC[C@H]1CCCCO1)C(=O)[C@H]1C=C(Cn2ccc3ccccc32)N=N1 c1ccc2c(c1)ccn2[*:1] CN(CC[C@H]1CCCCO1)C(=O)[C@H]1C=C(C[*:1])N=N1
COc1ccc(NC(=O)NCc2nc(-c3ccccc3)cs2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)NCc1nc(cs1)[*:1]
COc1ccc(NC(=O)NCc2nc(-c3ccccc3)cs2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1nc(cs1)-c1ccccc1)N[*:1]
CCCN(CC#N)Cn1nc(N2CCCC2)sc1=S N#CC[*:1] CCCN(Cn1nc(sc1=S)N1CCCC1)[*:1]
CCCN(CC#N)Cn1nc(N2CCCC2)sc1=S CCC[*:1] N#CCN(Cn1nc(sc1=S)N1CCCC1)[*:1]
CCCN(CC#N)Cn1nc(N2CCCC2)sc1=S C1CCN(C1)[*:1] CCCN(CC#N)Cn1nc(sc1=S)[*:1]
CCCOc1ccc([C@@H](C)NC(=O)c2ccnc(Cl)c2)cc1OC Clc1cc(ccn1)[*:1] CCCOc1ccc(cc1OC)[C@@H](C)NC(=O)[*:1]
CCCOc1ccc([C@@H](C)NC(=O)c2ccnc(Cl)c2)cc1OC CCCO[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)c1ccnc(Cl)c1
CCCOc1ccc([C@@H](C)NC(=O)c2ccnc(Cl)c2)cc1OC CCC[*:1] COc1cc(ccc1O[*:1])[C@@H](C)NC(=O)c1ccnc(Cl)c1
COc1cc(CN2CCCC[C@H](SC)C2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(CN2CCCC[C@@H](C2)SC)c(cc1OC)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1OCCO OCCO[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1OCCO OCC[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1O[*:1]
CC(C)Oc1cccnc1C(=O)N(C)CCOc1cccc(Cl)c1 CC(C)[*:1] CN(CCOc1cccc(Cl)c1)C(=O)c1ncccc1O[*:1]
CC(C)Oc1cccnc1C(=O)N(C)CCOc1cccc(Cl)c1 CC(C)O[*:1] CN(CCOc1cccc(Cl)c1)C(=O)c1ncccc1[*:1]
CC(C)Oc1cccnc1C(=O)N(C)CCOc1cccc(Cl)c1 Clc1cccc(c1)O[*:1] CC(C)Oc1cccnc1C(=O)N(C)CC[*:1]
CC(C)Oc1cccnc1C(=O)N(C)CCOc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)Oc1cccnc1C(=O)N(C)CCO[*:1]
CCOC(=O)Cc1csc(Nc2cccc(Cl)c2)n1 CCOC(=O)C[*:1] Clc1cccc(c1)Nc1nc(cs1)[*:1]
CCOC(=O)Cc1csc(Nc2cccc(Cl)c2)n1 CCOC(=O)[*:1] Clc1cccc(c1)Nc1nc(cs1)C[*:1]
C[C@@H](c1nc(-c2ccccc2)no1)[S@@](=O)Cc1cn2ccccc2n1 c1ccc(cc1)[*:1] C[C@@H](c1nc(no1)[*:1])[S@@](=O)Cc1cn2ccccc2n1
Cc1nn2c(ncc3c(=O)n(CC[NH+](C)C)ccc32)c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn2c(ncc3c(=O)n(ccc32)CC[NH+](C)C)c1[*:1]
Cc1ccc2c(c1)NC(=O)[C@H](C(=O)N1CCN(c3ccccc3F)CC1)O2 Fc1ccccc1[*:1] Cc1ccc2O[C@H](C(=O)Nc2c1)C(=O)N1CCN(CC1)[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 CC(C)[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cccc(c1)OCc1nnnn1[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)n1nnnc1COc1cccc(c1)C(=O)Nc1ccccc1[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 CC(C)n1nnnc1[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cccc(c1)OC[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 CC(C)n1nnnc1C[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cccc(c1)O[*:1]
C=C(C)C[C@@H]([NH3+])COCCC C=C(C)[*:1] CCCOC[C@H]([NH3+])C[*:1]
C=C(C)C[C@@H]([NH3+])COCCC CCC[*:1] C=C(C)C[C@@H]([NH3+])CO[*:1]
CC(C)[C@H](C(=O)[O-])c1ccc(Cl)cc1F O=C([O-])[*:1] CC(C)[C@H](c1ccc(Cl)cc1F)[*:1]
CC(C)[C@H](C(=O)[O-])c1ccc(Cl)cc1F CC(C)[*:1] O=C([O-])[C@H](c1ccc(Cl)cc1F)[*:1]
CC(C)Cn1cc(CCNC(=O)NC(C)(C)C)c2cccnc21 CC(C)[*:1] CC(C)(C)NC(=O)NCCc1cn(C[*:1])c2ncccc12
CC(C)Cn1cc(CCNC(=O)NC(C)(C)C)c2cccnc21 CC(C)C[*:1] CC(C)(C)NC(=O)NCCc1cn(c2ncccc12)[*:1]
CC(C)Cn1cc(CCNC(=O)NC(C)(C)C)c2cccnc21 CC(C)(C)[*:1] CC(C)Cn1cc(CCNC(=O)N[*:1])c2cccnc21
Cc1ccc(N2C[C@@H](C(=O)O[C@@H](C)c3nc(C)no3)CC2=O)cc1 Cc1noc(n1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)O[C@@H](C)[*:1]
Cc1ccc(N2C[C@@H](C(=O)O[C@@H](C)c3nc(C)no3)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1noc(n1)[C@H](C)OC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)CCn1c(nc2c(c(=O)c3ccccc3n2C)c1=O)-c1cccc(c1)[*:1]
COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 COc1ccc(cc1)CC[*:1] Cn1c2ccccc2c(=O)c2c(=O)n(c(nc21)-c1cccc(c1)[N+](=O)[O-])[*:1]
COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 COc1ccc(cc1)[*:1] Cn1c2ccccc2c(=O)c2c(=O)n(CC[*:1])c(nc21)-c1cccc(c1)[N+](=O)[O-]
COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 COc1ccc(cc1)C[*:1] Cn1c2ccccc2c(=O)c2c(=O)n(C[*:1])c(nc21)-c1cccc(c1)[N+](=O)[O-]
COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(cc1)CCn1c(nc2c(c(=O)c3ccccc3n2C)c1=O)[*:1]
CCc1ccc(C(C)(C)NC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1 CCc1ccc(cc1)[*:1] CC(C)(NC(=O)NCc1ccc(cc1)S(C)(=O)=O)[*:1]
CCc1ccc(C(C)(C)NC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)NCc1ccc(cc1)[*:1]
C[C@H](CC(=O)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccccc1 C[C@H](C[*:1])c1ccccc1 O=C1c2ccc(cc2C(=O)N1C[C@@H]1CCCO1)NC(=O)[*:1]
C[C@H](CC(=O)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)Nc1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1)[*:1]
C[C@H](CC(=O)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccccc1 C1CO[C@@H](C1)C[*:1] C[C@H](CC(=O)Nc1ccc2C(=O)N(C(=O)c2c1)[*:1])c1ccccc1
C[C@H](CC(=O)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccccc1 C1CO[C@@H](C1)[*:1] C[C@H](CC(=O)Nc1ccc2C(=O)N(C[*:1])C(=O)c2c1)c1ccccc1
C[C@H](CC(=O)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(C[*:1])Nc1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1
CCC[C@H](CC(=O)OC)NC(=O)c1ccc(C#N)[n-]1 COC(=O)[*:1] CCC[C@H](C[*:1])NC(=O)c1ccc(C#N)[n-]1
CCC[C@H](CC(=O)OC)NC(=O)c1ccc(C#N)[n-]1 COC(=O)C[*:1] CCC[C@H](NC(=O)c1ccc(C#N)[n-]1)[*:1]
CCC[C@H](CC(=O)OC)NC(=O)c1ccc(C#N)[n-]1 CCC[*:1] COC(=O)C[C@H](NC(=O)c1ccc(C#N)[n-]1)[*:1]
FC(F)SCc1ccc(CN2CCC[C@@H](c3nccs3)C2)o1 FC(F)[*:1] c1csc(n1)[C@@H]1CCCN(Cc2ccc(CS[*:1])o2)C1
FC(F)SCc1ccc(CN2CCC[C@@H](c3nccs3)C2)o1 FC(F)S[*:1] c1csc(n1)[C@@H]1CCCN(Cc2ccc(C[*:1])o2)C1
FC(F)SCc1ccc(CN2CCC[C@@H](c3nccs3)C2)o1 c1csc(n1)[*:1] FC(F)SCc1ccc(CN2CCC[C@@H](C2)[*:1])o1
FC(F)SCc1ccc(CN2CCC[C@@H](c3nccs3)C2)o1 FC(F)SC[*:1] c1csc(n1)[C@@H]1CCCN(Cc2ccc(o2)[*:1])C1
COc1ccc(S(=O)(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)S(=O)(=O)N[C@@H](c1nc(no1)[*:1])C(C)C
COc1ccc(S(=O)(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NS(=O)(=O)[*:1])c1nc(no1)-c1ccncc1
COc1ccc(S(=O)(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)N[C@@H](c1nc(no1)-c1ccncc1)[*:1]
CCc1c(Br)c(N)c(Br)c2nc(-c3cccnc3)oc12 c1cncc(c1)[*:1] CCc1c(Br)c(N)c(Br)c2nc(oc12)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)N1CCCCC[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1ccc2OCCOc2c1)N1CCCCC[C@@H]1[*:1]
COCC[C@](C)(O)C1(C[NH3+])CCC(C)(C)CC1 COC[*:1] CC1(C)CCC(C[NH3+])(CC1)[C@@](C)(O)C[*:1]
COCC[C@](C)(O)C1(C[NH3+])CCC(C)(C)CC1 COCC[*:1] CC1(C)CCC(C[NH3+])(CC1)[C@](C)(O)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)c1occc1[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1occc1-c1ccccc1
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 O=C(Nc1ccccc1)[*:1] O=C(c1occc1-c1ccccc1)N1CCC[C@@H](C1)[*:1]
O[C@@H](C[NH2+]Cc1cccc2ccccc12)C1CCOCC1 C1CC(CCO1)[*:1] O[C@@H](C[NH2+]Cc1cccc2ccccc12)[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)C(=O)NCc1ccco1 c1coc(c1)C[*:1] CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)C(=O)NCc1ccco1 CCc1nn(C)cc1[*:1] C[C@@H](NC(=O)C(=O)N[*:1])C(=O)NCc1ccco1
CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)C(=O)NCc1ccco1 c1coc(c1)[*:1] CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)C(=O)NC[*:1]
Cc1c(C(=O)NCCc2nc3c(s2)CCCC3)oc2c1C(=O)CC(C)(C)C2 C1CCc2sc(nc2C1)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)NCC[*:1]
CC1=c2cc(F)ccc2=[NH+][C@H]1C(=O)NCCSc1nnc(C)s1 Cc1nnc(s1)[*:1] CC1=c2cc(F)ccc2=[NH+][C@H]1C(=O)NCCS[*:1]
CC1=c2cc(F)ccc2=[NH+][C@H]1C(=O)NCCSc1nnc(C)s1 Cc1nnc(S[*:1])s1 CC1=c2cc(F)ccc2=[NH+][C@H]1C(=O)NCC[*:1]
C[C@H](NC(=O)N1CCCC[C@@H]1C)c1nc(-c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] C[C@H](NC(=O)N1CCCC[C@@H]1C)c1nc(no1)[*:1]
Cc1ccc2c(c1)OCC(=O)N2Cc1nc(C(=O)NC(C)(C)C)cs1 CC(C)(C)[*:1] Cc1ccc2c(c1)OCC(=O)N2Cc1nc(cs1)C(=O)N[*:1]
Cc1ccc2c(c1)OCC(=O)N2Cc1nc(C(=O)NC(C)(C)C)cs1 CC(C)(C)NC(=O)[*:1] Cc1ccc2c(c1)OCC(=O)N2Cc1nc(cs1)[*:1]
Oc1ccccc1N1CC[NH+](CCCOc2ccccc2)CC1 Oc1ccccc1[*:1] c1ccc(cc1)OCCC[NH+]1CCN(CC1)[*:1]
Oc1ccccc1N1CC[NH+](CCCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] Oc1ccccc1N1CC[NH+](CCC[*:1])CC1
Oc1ccccc1N1CC[NH+](CCCOc2ccccc2)CC1 c1ccc(cc1)[*:1] Oc1ccccc1N1CC[NH+](CCCO[*:1])CC1
C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 Cc1ccc(cc1Cl)[*:1] C/C(CC(=O)Nc1ccc2OCOc2c1)=N\NC(=O)C(=O)N[*:1]
C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 c1cc2OCOc2cc1[*:1] C/C(CC(=O)N[*:1])=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1
COc1ccc([C@@H](O)CNC(=O)NCc2csc(C)n2)cc1 Cc1nc(cs1)C[*:1] COc1ccc(cc1)[C@@H](O)CNC(=O)N[*:1]
COc1ccc([C@@H](O)CNC(=O)NCc2csc(C)n2)cc1 Cc1nc(cs1)[*:1] COc1ccc(cc1)[C@@H](O)CNC(=O)NC[*:1]
Cn1ccc(C(=O)OCC(=O)c2ccco2)n1 c1coc(c1)[*:1] Cn1ccc(n1)C(=O)OCC(=O)[*:1]
CCN(CC)C(=O)[C@H]1CN(Cc2ccc3c(c2)OCO3)CCN1S(C)(=O)=O c1cc2OCOc2cc1[*:1] CCN(CC)C(=O)[C@H]1CN(CCN1S(C)(=O)=O)C[*:1]
CCN(CC)C(=O)[C@H]1CN(Cc2ccc3c(c2)OCO3)CCN1S(C)(=O)=O CCN(CC)C(=O)[*:1] CS(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)C[C@@H]1[*:1]
C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[*:1]
CC(C)(C)c1ncc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)s1 CC(C)(C)[*:1] O=C(NC1CCN(CC1)C(=O)c1ccncc1)c1cnc(s1)[*:1]
CC(C)(C)c1ncc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)s1 c1cc(ccn1)[*:1] CC(C)(C)c1ncc(s1)C(=O)NC1CCN(CC1)C(=O)[*:1]
COc1ncccc1-c1cc(C)ccc1N1CCOC1=O O=C1OCCN1[*:1] COc1ncccc1-c1cc(C)ccc1[*:1]
O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1 Fc1ccc(cc1Cl)[*:1] O=C(C1CC1)N1CCc2ccc(cc2C1)NS(=O)(=O)[*:1]
O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1 C1CC1[*:1] O=C(N1CCc2ccc(cc2C1)NS(=O)(=O)c1ccc(F)c(Cl)c1)[*:1]
Cc1ccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cn1c(=O)c2c(ncn2CC(=O)NC[*:1])n(C)c1=O
COc1cccc2cc(-c3cc(=O)oc4c(C)c(OCC(=O)OC(C)C)ccc34)c(=O)oc12 CC(C)OC(=O)CO[*:1] COc1cccc2cc(-c3cc(=O)oc4c(C)c(ccc34)[*:1])c(=O)oc12
COc1cccc2cc(-c3cc(=O)oc4c(C)c(OCC(=O)OC(C)C)ccc34)c(=O)oc12 CC(C)OC(=O)[*:1] COc1cccc2cc(-c3cc(=O)oc4c(C)c(ccc34)OC[*:1])c(=O)oc12
COc1cccc2cc(-c3cc(=O)oc4c(C)c(OCC(=O)OC(C)C)ccc34)c(=O)oc12 CC(C)OC(=O)C[*:1] COc1cccc2cc(-c3cc(=O)oc4c(C)c(ccc34)O[*:1])c(=O)oc12
COc1cccc2cc(-c3cc(=O)oc4c(C)c(OCC(=O)OC(C)C)ccc34)c(=O)oc12 CC(C)[*:1] COc1cccc2cc(-c3cc(=O)oc4c(C)c(ccc34)OCC(=O)O[*:1])c(=O)oc12
C[C@@H](Oc1ccccc1C#N)C(=O)NCC1CCCCC1 C1CCC(CC1)C[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)N[*:1]
C[C@@H](Oc1ccccc1C#N)C(=O)NCC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)NC[*:1]
CCOc1ccc(N2C[C@H](O)CC2=O)cn1 CCO[*:1] O=C1C[C@@H](O)CN1c1ccc(nc1)[*:1]
CCC[C@@H](C)[C@H](O)[C@H](C#N)CC CCC[*:1] CC[C@@H](C#N)[C@@H](O)[C@H](C)[*:1]
COc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)sc2c1 C1CCC(CC1)[*:1] COc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(C3)[*:1])sc2c1
CCOc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CCOc1ccc(Br)cc1/C=C1\SC(=O)N(C[*:1])C1=O
CCOc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O CCO[*:1] O=C1S/C(=C\c2cc(Br)ccc2[*:1])C(=O)N1Cc1ccc(Cl)cc1
CCOc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)C[*:1] CCOc1ccc(Br)cc1/C=C1\SC(=O)N(C1=O)[*:1]
C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1Cl C#CC[*:1] O=C(N/N=C/c1cc(Br)ccc1O[*:1])C(=O)Nc1cc(Cl)ccc1Cl
C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1Cl C#CCO[*:1] O=C(N/N=C/c1cc(Br)ccc1[*:1])C(=O)Nc1cc(Cl)ccc1Cl
C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)N[*:1]
C[C@H](Cn1cncn1)NC(=O)c1ccc2[nH]c(=S)oc2c1 c1ncn(n1)[*:1] C[C@H](C[*:1])NC(=O)c1ccc2[nH]c(=S)oc2c1
C[C@H](Cn1cncn1)NC(=O)c1ccc2[nH]c(=S)oc2c1 c1ncn(C[*:1])n1 C[C@H](NC(=O)c1ccc2[nH]c(=S)oc2c1)[*:1]
O=C(NCCOCc1ccccc1)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] O=C(NCCOCc1ccccc1)c1ccc(nc1)[*:1]
O=C(NCCOCc1ccccc1)c1ccc(-n2cccc2)nc1 c1ccc(cc1)C[*:1] O=C(NCCO[*:1])c1ccc(nc1)-n1cccc1
O=C(NCCOCc1ccccc1)c1ccc(-n2cccc2)nc1 c1ccc(cc1)CO[*:1] O=C(NCC[*:1])c1ccc(nc1)-n1cccc1
O=C(NCCOCc1ccccc1)c1ccc(-n2cccc2)nc1 c1ccc(cc1)[*:1] O=C(NCCOC[*:1])c1ccc(nc1)-n1cccc1
CC(C)[NH2+]Cc1ccc(O[C@@H](C)C(N)=O)cc1 CC(C)[*:1] C[C@H](Oc1ccc(cc1)C[NH2+][*:1])C(N)=O
CC(C)[NH2+]Cc1ccc(O[C@@H](C)C(N)=O)cc1 C[C@@H](C(N)=O)[*:1] CC(C)[NH2+]Cc1ccc(cc1)O[*:1]
CC(C)[NH2+]Cc1ccc(O[C@@H](C)C(N)=O)cc1 NC(=O)[*:1] CC(C)[NH2+]Cc1ccc(cc1)O[C@@H](C)[*:1]
N#CCSc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 N#CCS[*:1] O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1[*:1]
N#CCSc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 N#CC[*:1] O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1S[*:1]
CCOc1cccc(C2=C[C@H](C(=O)N/N=C/c3ccc(OC)cc3)N=N2)c1 CCOc1cccc(c1)[*:1] COc1ccc(/C=N/NC(=O)[C@H]2C=C(N=N2)[*:1])cc1
CCOc1cccc(C2=C[C@H](C(=O)N/N=C/c3ccc(OC)cc3)N=N2)c1 COc1ccc(cc1)[*:1] CCOc1cccc(c1)C1=C[C@@H](N=N1)C(=O)NN=C[*:1]
CCOc1cccc(C2=C[C@H](C(=O)N/N=C/c3ccc(OC)cc3)N=N2)c1 CCO[*:1] COc1ccc(/C=N/NC(=O)[C@H]2C=C(N=N2)c2cccc(c2)[*:1])cc1
CN(C)C(=O)c1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1 CN(C)C(=O)[*:1] [NH3+][C@@H]1CCC[C@@H](C1)Nc1ccc(cc1)[*:1]
CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1 CCc1ccc(cc1)[*:1] CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)[*:1]
CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1 O=C(N1CCOCC1)[*:1] CCc1ccc(cc1)N(CC(=O)Nc1ccccc1[*:1])S(C)(=O)=O
C=C(CC)C[C@@H](Cc1ccccc1Br)C(=O)[O-] C=C(CC)C[*:1] O=C([O-])[C@H](Cc1ccccc1Br)[*:1]
C=C(CC)C[C@@H](Cc1ccccc1Br)C(=O)[O-] C=C(CC)[*:1] O=C([O-])[C@H](Cc1ccccc1Br)C[*:1]
C=C(CC)C[C@@H](Cc1ccccc1Br)C(=O)[O-] O=C([O-])[*:1] C=C(CC)C[C@@H](Cc1ccccc1Br)[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(OC(C)C)cc1 CC(C)O[*:1] Cc1ccc(c(C)c1NC(=O)NCc1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(OC(C)C)cc1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)NCc1ccc(cc1)OC(C)C)[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(OC(C)C)cc1 CC(C)[*:1] Cc1ccc(c(C)c1NC(=O)NCc1ccc(cc1)O[*:1])[N+](=O)[O-]
Cc1ccc(C)c(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(/C=C2/N=C(OC2=O)[*:1])c1
CC(=O)N(CCC[N+](C)(C)C)C[C@H]1[C@H](C)C=C(C)C[C@H]1C C[N+](C)(C)CC[*:1] CC(=O)N(C[C@H]1[C@H](C)C=C(C)C[C@H]1C)C[*:1]
CC(=O)N(CCC[N+](C)(C)C)C[C@H]1[C@H](C)C=C(C)C[C@H]1C C[N+](C)(C)CCC[*:1] CC(=O)N(C[C@H]1[C@H](C)C=C(C)C[C@H]1C)[*:1]
CC(=O)N(CCC[N+](C)(C)C)C[C@H]1[C@H](C)C=C(C)C[C@H]1C C[N+](C)(C)C[*:1] CC(=O)N(CC[*:1])C[C@H]1[C@H](C)C=C(C)C[C@H]1C
CC(=O)N(CCC[N+](C)(C)C)C[C@H]1[C@H](C)C=C(C)C[C@H]1C C[N+](C)(C)[*:1] CC(=O)N(CCC[*:1])C[C@H]1[C@H](C)C=C(C)C[C@H]1C
NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NC[*:1]
NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1 NS(=O)(=O)[*:1] O=C(NCc1ccco1)c1cc(ccc1Cl)[*:1]
Cc1cc(=O)n2c(CCNC(=O)c3c(-c4ccccc4Cl)noc3C)csc2[nH+]1 Clc1ccccc1[*:1] Cc1cc(=O)n2c(csc2[nH+]1)CCNC(=O)c1c(noc1C)[*:1]
Cc1cccc(N2C[C@@H](C(=O)NCCCc3nnc(N)s3)CC2=O)c1 Cc1cccc(c1)[*:1] Nc1nnc(CCCNC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
Cc1cccc(N2C[C@@H](C(=O)NCCCc3nnc(N)s3)CC2=O)c1 Nc1nnc(s1)[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)C(=O)NCCC[*:1]
Cc1cccc(N2C[C@@H](C(=O)NCCCc3nnc(N)s3)CC2=O)c1 Nc1nnc(CC[*:1])s1 Cc1cccc(c1)N1C[C@H](CC1=O)C(=O)NC[*:1]
Cc1cccc(N2C[C@@H](C(=O)NCCCc3nnc(N)s3)CC2=O)c1 Nc1nnc(C[*:1])s1 Cc1cccc(c1)N1C[C@H](CC1=O)C(=O)NCC[*:1]
C[C@H]1CN(CC[C@@H]2CCC[C@]2([NH3+])C(=O)[O-])C[C@H](C)O1 O=C([O-])[*:1] C[C@H]1CN(CC[C@@H]2CCC[C@@]2([NH3+])[*:1])C[C@H](C)O1
CC(C)Cn1ncc(C(=O)O[C@@H](C)C2CC2)c1C1CC1 C[C@@H](C1CC1)[*:1] CC(C)Cn1ncc(C(=O)O[*:1])c1C1CC1
CC(C)Cn1ncc(C(=O)O[C@@H](C)C2CC2)c1C1CC1 CC(C)[*:1] C[C@H](OC(=O)c1cnn(C[*:1])c1C1CC1)C1CC1
CC(C)Cn1ncc(C(=O)O[C@@H](C)C2CC2)c1C1CC1 CC(C)C[*:1] C[C@H](OC(=O)c1cnn(c1C1CC1)[*:1])C1CC1
CC(C)Cn1ncc(C(=O)O[C@@H](C)C2CC2)c1C1CC1 C1CC1[*:1] CC(C)Cn1ncc(C(=O)O[C@@H](C)[*:1])c1C1CC1
CC(C)Cn1ncc(C(=O)O[C@@H](C)C2CC2)c1C1CC1 C1CC1[*:1] CC(C)Cn1ncc(C(=O)O[C@@H](C)C2CC2)c1[*:1]
CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2cnn(C(C)(C)C)c2)o1 CCc1ccc(o1)[*:1] CC(C)(C)n1cc(cn1)NC(=O)N1CCCCC[C@H]1[*:1]
CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2cnn(C(C)(C)C)c2)o1 CC(C)(C)[*:1] CCc1ccc(o1)[C@@H]1CCCCCN1C(=O)Nc1cnn(c1)[*:1]
CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 c1ccc2CC(Cc2c1)[*:1] CCN1C(=O)N(C(=O)C12CC[NH+](CC2)Cc1c[nH]nc1-c1ccc(F)cc1)[*:1]
CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 Fc1ccc(cc1)-c1n[nH]cc1[*:1] CCN1C(=O)N(C(=O)C12CC[NH+](CC2)C[*:1])C1Cc2ccccc2C1
CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)CC2 Fc1ccc(cc1)[*:1] CCN1C(=O)N(C(=O)C12CC[NH+](CC2)Cc1c[nH]nc1[*:1])C1Cc2ccccc2C1
CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(C(N)=O)cn1 NC(=O)[*:1] CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(cn1)[*:1]
CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(C(N)=O)cn1 CC(C)C[*:1] C[NH+](C)C[C@@H](Nc1ccc(cn1)C(N)=O)[*:1]
CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(C(N)=O)cn1 CC(C)[*:1] C[NH+](C)C[C@H](C[*:1])Nc1ccc(cn1)C(N)=O
O=C(NCc1cccs1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O c1csc(c1)C[*:1] O=C(N[*:1])c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
O=C(NCc1cccs1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O c1csc(c1)[*:1] O=C(NC[*:1])c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
O=C(NCc1cccs1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)C[*:1] O=C(NCc1cccs1)c1cc2cccnc2n(c1=O)[*:1]
O=C(NCc1cccs1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O O=C(NCc1cccs1)[*:1] O=c1c(cc2cccnc2n1Cc1ccc(Cl)cc1)[*:1]
O=C(NCc1cccs1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] O=C(NCc1cccs1)c1cc2cccnc2n(C[*:1])c1=O
CCCNC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 CCC[*:1] O=C(NCC(=O)N1CCC(CC1)Cc1ccccc1)N[*:1]
CCCNC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCCNC(=O)NCC(=O)N1CCC(CC1)C[*:1]
CCCNC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 CCCNC(=O)N[*:1] O=C(C[*:1])N1CCC(CC1)Cc1ccccc1
CCCNC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCCNC(=O)NCC(=O)N1CCC(CC1)[*:1]
NC(=O)c1nn(-c2ccccc2)nc1N NC(=O)[*:1] Nc1nn(nc1[*:1])-c1ccccc1
O=C(C[N-]C1=NC(Cl)=N[C@H]2N=CN=C12)NCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(C[N-]C1=NC(Cl)=N[C@H]2N=CN=C12)NC[*:1]
O=C(C[N-]C1=NC(Cl)=N[C@H]2N=CN=C12)NCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(C[N-]C1=NC(Cl)=N[C@H]2N=CN=C12)NCC[*:1]
CC(C)(C)c1csc(CC2(O)CCC(C(F)(F)F)CC2)n1 FC(F)(F)[*:1] CC(C)(C)c1csc(CC2(O)CCC(CC2)[*:1])n1
CC(C)(C)c1csc(CC2(O)CCC(C(F)(F)F)CC2)n1 CC(C)(C)[*:1] OC1(CCC(CC1)C(F)(F)F)Cc1nc(cs1)[*:1]
O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] O=C(NCCCN1CCOCC1)c1cn(nc1-c1cccnc1)[*:1]
O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] O=C(NCCCN1CCOCC1)c1cn(nc1[*:1])-c1ccccc1
O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 C(CN1CCOCC1)C[*:1] O=C(N[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 C1CN(CCO1)CC[*:1] O=C(NC[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
O=C(OCc1nc2ccccc2[nH]1)c1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(OCc1nc2ccccc2[nH]1)c1cnc(s1)[*:1]
COc1ccccc1NC(=S)NC(=O)COc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1NC(=S)NC(=O)CO[*:1]
COc1ccccc1NC(=S)NC(=O)COc1ccccc1 c1ccc(cc1)O[*:1] COc1ccccc1NC(=S)NC(=O)C[*:1]
NC(=O)[C@H]1CN(C(=O)Nc2cc(-c3ccccc3)on2)CCO1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CN(CCO1)C(=O)Nc1cc(on1)[*:1]
NC(=O)[C@H]1CN(C(=O)Nc2cc(-c3ccccc3)on2)CCO1 NC(=O)[*:1] O=C(Nc1cc(on1)-c1ccccc1)N1CCO[C@H](C1)[*:1]
Cc1ccccc1-c1cc(NC(=O)CS(=O)(=O)C(C)C)n(C)n1 CC(C)[*:1] Cc1ccccc1-c1cc(NC(=O)CS(=O)(=O)[*:1])n(C)n1
Cc1ccccc1-c1cc(NC(=O)CS(=O)(=O)C(C)C)n(C)n1 Cc1ccccc1[*:1] CC(C)S(=O)(=O)CC(=O)Nc1cc(nn1C)[*:1]
Cc1ccccc1-c1cc(NC(=O)CS(=O)(=O)C(C)C)n(C)n1 CC(C)S(=O)(=O)[*:1] Cc1ccccc1-c1cc(NC(=O)C[*:1])n(C)n1
Cc1ccccc1-c1cc(NC(=O)CS(=O)(=O)C(C)C)n(C)n1 CC(C)S(=O)(=O)C[*:1] Cc1ccccc1-c1cc(NC(=O)[*:1])n(C)n1
c1cc(CN2CCCC[C@@H]2c2ccncn2)ccn1 c1cc(ccn1)[*:1] c1cc(ncn1)[C@H]1CCCCN1C[*:1]
c1cc(CN2CCCC[C@@H]2c2ccncn2)ccn1 c1cc(ncn1)[*:1] c1cc(ccn1)CN1CCCC[C@H]1[*:1]
COC(=O)c1ccc(CNC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)CNC(=O)Cc1csc2nc(cn12)[*:1]
COC(=O)c1ccc(CNC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 COC(=O)[*:1] O=C(Cc1csc2nc(cn12)-c1ccc(F)cc1)NCc1ccc(cc1)[*:1]
COC(=O)c1ccc(CNC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(Cc1csc2nc(cn12)-c1ccc(F)cc1)NC[*:1]
COC[C@H](C)NC(=O)c1ccc2oc(C(C)C)nc2c1 COC[*:1] CC(C)c1nc2cc(ccc2o1)C(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)c1ccc2oc(C(C)C)nc2c1 COC[C@H](C)[*:1] CC(C)c1nc2cc(ccc2o1)C(=O)N[*:1]
COC[C@H](C)NC(=O)c1ccc2oc(C(C)C)nc2c1 CC(C)[*:1] COC[C@H](C)NC(=O)c1ccc2oc(nc2c1)[*:1]
CC(C)c1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 CC(C)[*:1] NC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\[O-])c1occc1-c1ccccc1 Cc1nn(C)c(C)c1[*:1] O=S(=O)(/N=C(\[O-])c1occc1-c1ccccc1)[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\[O-])c1occc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\[O-])c1occc1[*:1]
CCC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC[C@@H](C)C2)cc1 CCC(=O)N[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)Nc1ccc(cc1)[*:1]
CC(=O)N[C@H](C(=O)Nc1cccc(Oc2ccccc2)c1)C(C)C CC(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1cccc(c1)Oc1ccccc1)[*:1]
CC(=O)N[C@H](C(=O)Nc1cccc(Oc2ccccc2)c1)C(C)C c1ccc(cc1)O[*:1] CC(=O)N[C@H](C(=O)Nc1cccc(c1)[*:1])C(C)C
CC(=O)N[C@H](C(=O)Nc1cccc(Oc2ccccc2)c1)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)Nc1cccc(c1)Oc1ccccc1)[*:1]
CC(=O)N[C@H](C(=O)Nc1cccc(Oc2ccccc2)c1)C(C)C c1ccc(cc1)[*:1] CC(=O)N[C@H](C(=O)Nc1cccc(c1)O[*:1])C(C)C
COc1ccc(CN(C)C(=O)C[NH2+]C(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)CN(C)C(=O)C[NH2+][*:1]
CCc1noc(Cn2cnc3c([nH]c4ccc(F)cc43)c2=O)n1 CCc1noc(n1)[*:1] O=c1c2[nH]c3ccc(F)cc3c2ncn1C[*:1]
C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Br)c2)[C@@H]1C Brc1cccc(c1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)C(=O)N[*:1])[C@@H]1C
COc1ccccc1O[C@H](C)CNC(=O)NC(C)C CC(C)[*:1] COc1ccccc1O[C@H](C)CNC(=O)N[*:1]
C[C@@H](NC(=O)N(C)C[C@@H]1CCOC1)C(C)(C)C[NH+](C)C C1C[C@H](CO1)C[*:1] C[C@@H](NC(=O)N(C)[*:1])C(C)(C)C[NH+](C)C
C[C@@H](NC(=O)N(C)C[C@@H]1CCOC1)C(C)(C)C[NH+](C)C C1C[C@H](CO1)[*:1] C[C@@H](NC(=O)N(C)C[*:1])C(C)(C)C[NH+](C)C
CC[C@H](C)OC(=O)Nc1ccccc1 CC[C@H](C)[*:1] O=C(Nc1ccccc1)O[*:1]
COCCN1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1=O COCC[*:1] O=C(c1cc2c(Br)cccc2[nH]1)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)c1cc2c(Br)cccc2[nH]1
Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)C[*:1] Cc1cc(C)cc(c1)-n1ncc2c1CCC[C@H]2[NH2+][*:1]
Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2ccc(F)c(F)c2)c1 Cc1cc(C)cc(c1)[*:1] Fc1ccc(cc1F)C[NH2+][C@@H]1CCCc2c1cnn2[*:1]
Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] Cc1cc(C)cc(c1)-n1ncc2c1CCC[C@H]2[NH2+]C[*:1]
O=C(Cn1ccc(=O)c2sccc21)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(Cn1ccc(=O)c2sccc21)c1ccc(cc1)[*:1]
O=C(Cn1ccc(=O)c2sccc21)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(Cn1ccc(=O)c2sccc21)c1ccc(cc1)O[*:1]
COc1ccc(/C=C/C(=O)NCc2n[nH]c(=O)[nH]2)cc1F O=c1[nH]nc([nH]1)[*:1] COc1ccc(/C=C/C(=O)NC[*:1])cc1F
COc1ccc(/C=C/C(=O)NCc2n[nH]c(=O)[nH]2)cc1F O=c1[nH]nc(C[*:1])[nH]1 COc1ccc(/C=C/C(=O)N[*:1])cc1F
CCc1nc([C@@H](C)Nc2ccc(C(=O)Nc3nncs3)cn2)cs1 CCc1nc(cs1)[*:1] C[C@@H](Nc1ccc(cn1)C(=O)Nc1nncs1)[*:1]
CCc1nc([C@@H](C)Nc2ccc(C(=O)Nc3nncs3)cn2)cs1 c1nnc(s1)[*:1] CCc1nc(cs1)[C@@H](C)Nc1ccc(cn1)C(=O)N[*:1]
CCc1nc([C@@H](C)Nc2ccc(C(=O)Nc3nncs3)cn2)cs1 O=C(Nc1nncs1)[*:1] CCc1nc(cs1)[C@@H](C)Nc1ccc(cn1)[*:1]
CO[C@@H](C(=O)NCc1ccccc1Oc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)NCc1ccccc1O[*:1])c1ccccc1
CO[C@@H](C(=O)NCc1ccccc1Oc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)NCc1ccccc1Oc1ccccc1)[*:1]
CO[C@@H](C(=O)NCc1ccccc1Oc1ccccc1)c1ccccc1 c1ccc(cc1)O[*:1] CO[C@@H](C(=O)NCc1ccccc1[*:1])c1ccccc1
Cc1cncc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 Cc1cncc(c1)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCCC1)C(=O)N[*:1]
Cc1cncc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 C1CCCN(CC1)[*:1] Cc1cncc(c1)NC(=O)C(=O)NCc1cc[nH+]c(c1)[*:1]
CCC[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCC2(CCCCC2)CC1 CCC[*:1] C[C@@H](C[NH2+][*:1])[C@@H](C)[NH+]1CCC2(CCCCC2)CC1
CC(=O)NCCNC(=O)N(C)[C@@H](C)C1CC1 CC(=O)N[*:1] C[C@@H](C1CC1)N(C)C(=O)NCC[*:1]
CC(=O)NCCNC(=O)N(C)[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] CC(=O)NCCNC(=O)N(C)[*:1]
CC(=O)NCCNC(=O)N(C)[C@@H](C)C1CC1 CC(=O)NC[*:1] C[C@@H](C1CC1)N(C)C(=O)NC[*:1]
CC(=O)NCCNC(=O)N(C)[C@@H](C)C1CC1 C1CC1[*:1] CC(=O)NCCNC(=O)N(C)[C@@H](C)[*:1]
CCOC(=O)c1oc2ccc(Cl)cc2c1NC(=O)C[NH+]1CCCCC1 CCOC(=O)[*:1] O=C(C[NH+]1CCCCC1)Nc1c(oc2ccc(Cl)cc12)[*:1]
CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1ccccc1Br Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccccc1Br
CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1ccccc1Br Cn1cc(cn1)C[*:1] CN(C(=O)C(=O)Nc1ccccc1Br)[*:1]
CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1ccccc1Br Brc1ccccc1[*:1] CN(Cc1cnn(C)c1)C(=O)C(=O)N[*:1]
OCCC#Cc1ccsc1CSC[C@@H](O)CO OCC[*:1] OC[C@H](O)CSCc1sccc1C#C[*:1]
OCCC#Cc1ccsc1CSC[C@@H](O)CO OCCC#C[*:1] OC[C@H](O)CSCc1sccc1[*:1]
OCCC#Cc1ccsc1CSC[C@@H](O)CO OC[C@H](O)C[*:1] OCCC#Cc1ccsc1CS[*:1]
OCCC#Cc1ccsc1CSC[C@@H](O)CO OC[C@H](O)[*:1] OCCC#Cc1ccsc1CSC[*:1]
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([O-])n(-c2ccccc2)c(=O)n1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)c1cc([O-])n(c(=O)n1)[*:1]
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([O-])n(-c2ccccc2)c(=O)n1 FC(F)(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc([O-])n(-c2ccccc2)c(=O)n1
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([O-])n(-c2ccccc2)c(=O)n1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cc([O-])n(-c2ccccc2)c(=O)n1
CCOC(=O)N1CCc2c(sc(NC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)c2C(=O)OC)C1 COC(=O)[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)[C@@H]1Oc3ccccc3O[C@H]1C)c2[*:1]
Nc1nc(NC2CC2)cc(-c2ccccc2CN2CCOCC2)n1 C1CN(CCO1)C[*:1] Nc1nc(cc(n1)-c1ccccc1[*:1])NC1CC1
Nc1nc(NC2CC2)cc(-c2ccccc2CN2CCOCC2)n1 C1CC1N[*:1] Nc1nc(cc(n1)[*:1])-c1ccccc1CN1CCOCC1
Nc1nc(NC2CC2)cc(-c2ccccc2CN2CCOCC2)n1 C1CC1[*:1] Nc1nc(cc(n1)-c1ccccc1CN1CCOCC1)N[*:1]
Nc1nc(NC2CC2)cc(-c2ccccc2CN2CCOCC2)n1 C1CN(CCO1)[*:1] Nc1nc(cc(n1)-c1ccccc1C[*:1])NC1CC1
COCCOc1c(Cl)cc(NC(=O)N2CC[C@@H](C)[C@@H]2C)cc1Cl COC[*:1] C[C@H]1[C@H](C)CCN1C(=O)Nc1cc(Cl)c(OC[*:1])c(Cl)c1
COCCOc1c(Cl)cc(NC(=O)N2CC[C@@H](C)[C@@H]2C)cc1Cl COCC[*:1] C[C@H]1[C@H](C)CCN1C(=O)Nc1cc(Cl)c(O[*:1])c(Cl)c1
COCCOc1c(Cl)cc(NC(=O)N2CC[C@@H](C)[C@@H]2C)cc1Cl COCCO[*:1] C[C@H]1[C@H](C)CCN1C(=O)Nc1cc(Cl)c(c(Cl)c1)[*:1]
CCC[C@H]1C[C@@H]1NC(=O)CNC(=O)NC CNC(=O)N[*:1] CCC[C@H]1C[C@@H]1NC(=O)C[*:1]
CCC[C@H]1C[C@@H]1NC(=O)CNC(=O)NC CCC[*:1] CNC(=O)NCC(=O)N[C@H]1C[C@@H]1[*:1]
CC(C)(CNC(=O)NCC1(N2CCOCC2)CCCCC1)C(N)=O CC(C)(C[*:1])C(N)=O O=C(NCC1(CCCCC1)N1CCOCC1)N[*:1]
CC(C)(CNC(=O)NCC1(N2CCOCC2)CCCCC1)C(N)=O NC(=O)[*:1] CC(C)(CNC(=O)NCC1(CCCCC1)N1CCOCC1)[*:1]
CC(C)(CNC(=O)NCC1(N2CCOCC2)CCCCC1)C(N)=O C1CN(CCO1)[*:1] CC(C)(CNC(=O)NCC1(CCCCC1)[*:1])C(N)=O
CC(C)(CNC(=O)NCC1(N2CCOCC2)CCCCC1)C(N)=O CC(C)(C(N)=O)[*:1] O=C(NCC1(CCCCC1)N1CCOCC1)NC[*:1]
COc1cc(Cl)ccc1C(=O)NNC(=O)NCC1(C)Cc2ccccc2C1 COc1cc(Cl)ccc1[*:1] CC1(CNC(=O)NNC(=O)[*:1])Cc2ccccc2C1
COc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)c1nnc(s1)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@H](C1)c1nnc(s1)C(=O)N[*:1]
COc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1 O=C(Nc1cccc(F)c1)[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@H](C1)c1nnc(s1)[*:1]
CCN[C@@]1(C#N)CCC[C@H]([NH+]2CCC(C)(C)CC2)C1 CCN[*:1] CC1(C)CC[NH+](CC1)[C@H]1CCC[C@](C#N)(C1)[*:1]
O=C([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)ccc1NC(=O)C1CCCC1 C1CCC(C1)[*:1] O=C([O-])c1cc(ccc1NC(=O)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)ccc1NC(=O)C1CCCC1 O=C([O-])[*:1] O=C(Nc1ccc(cc1[*:1])N1CCN(CC1)c1ccc(F)cc1)C1CCCC1
O=C([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)ccc1NC(=O)C1CCCC1 Fc1ccc(cc1)[*:1] O=C([O-])c1cc(ccc1NC(=O)C1CCCC1)N1CCN(CC1)[*:1]
O=C([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)ccc1NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 O=C([O-])c1cc(ccc1[*:1])N1CCN(CC1)c1ccc(F)cc1
CC(C)(C)OC(=O)N1C(=O)CC12CCOCC2 CC(C)(C)[*:1] O=C1CC2(CCOCC2)N1C(=O)O[*:1]
Cc1ccccc1NC(=O)CSc1nnc(NC2=NC(=O)CS2)s1 Cc1ccccc1[*:1] O=C1CSC(=N1)Nc1nnc(SCC(=O)N[*:1])s1
CCOc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 CCOc1ccccc1[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N[*:1])c2C1
CCOc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 CCO[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3[*:1])c2C1
Cc1ccccc1-n1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccnc1 Brc1ccc(cc1)[*:1] Cc1ccccc1-n1c(nnc1-c1cccnc1)SCC(=O)N[*:1]
Cc1ccccc1-n1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccnc1 c1cncc(c1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])SCC(=O)Nc1ccc(Br)cc1
Cc1ccccc1-n1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccnc1 Cc1ccccc1[*:1] O=C(CSc1nnc(-c2cccnc2)n1[*:1])Nc1ccc(Br)cc1
Cc1ccccc1-n1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccnc1 O=C(Nc1ccc(Br)cc1)[*:1] Cc1ccccc1-n1c(nnc1-c1cccnc1)SC[*:1]
Cn1cc(C#N)c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cn1cc(C#N)c(n1)NC(=O)C[NH+](Cc1ccccc1)[*:1]
Cn1cc(C#N)c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 Cn1cc(C#N)c(n1)[*:1] O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[*:1]
Cn1cc(C#N)c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C#N)c(n1)NC(=O)C[NH+](Cc1ccccc1)C[*:1]
Cn1cnc(S(=O)(=O)NCC(=O)N2C[C@H]3CC=CC[C@H]3C2)c1 Cn1cnc(c1)[*:1] O=C(CNS(=O)(=O)[*:1])N1C[C@H]2CC=CC[C@H]2C1
COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(cc1C)[*:1]
CCOCc1cccc(NC(=O)[C@@H]2COc3ccc(F)cc3C2)c1 CCOC[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1COc2ccc(F)cc2C1
CCOCc1cccc(NC(=O)[C@@H]2COc3ccc(F)cc3C2)c1 CCO[*:1] O=C(Nc1cccc(c1)C[*:1])[C@@H]1COc2ccc(F)cc2C1
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 Fc1ccccc1C[*:1] O=C(NNC(=O)[*:1])[C@@H]1CC(=O)N(Cc2ccccn2)C1
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 Fc1ccccc1[*:1] O=C(C[*:1])NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ncccc1C(=O)Nc1cnccc1C(=O)[O-] O=C([O-])[*:1] Cc1ncccc1C(=O)Nc1cnccc1[*:1]
CCN[C@H](c1cccs1)[C@@H]1C[NH+]2CCN1CC2 c1csc(c1)[*:1] CCN[C@H]([C@@H]1C[NH+]2CCN1CC2)[*:1]
CCN[C@H](c1cccs1)[C@@H]1C[NH+]2CCN1CC2 CCN[*:1] c1csc(c1)[C@H]([C@@H]1C[NH+]2CCN1CC2)[*:1]
Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccccc1C(F)(F)F)C2 FC(F)(F)[*:1] Cn1nc(C(=O)N2CCSCC2)c2C[C@H](CCc21)NCc1ccccc1[*:1]
Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccccc1C(F)(F)F)C2 O=C(N1CCSCC1)[*:1] Cn1nc(c2C[C@H](CCc21)NCc1ccccc1C(F)(F)F)[*:1]
Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccccc1C(F)(F)F)C2 FC(F)(F)c1ccccc1[*:1] Cn1nc(C(=O)N2CCSCC2)c2C[C@H](CCc21)NC[*:1]
Cc1ccc(Cn2c(CCCC(=O)NC3CCCCCC3)nc3cccnc32)cc1 O=C(NC1CCCCCC1)[*:1] Cc1ccc(cc1)Cn1c(CCC[*:1])nc2cccnc21
Cc1ccc(Cn2c(CCCC(=O)NC3CCCCCC3)nc3cccnc32)cc1 Cc1ccc(cc1)[*:1] O=C(CCCc1nc2cccnc2n1C[*:1])NC1CCCCCC1
Cc1ccc(Cn2c(CCCC(=O)NC3CCCCCC3)nc3cccnc32)cc1 C1CCCC(CC1)[*:1] Cc1ccc(cc1)Cn1c(CCCC(=O)N[*:1])nc2cccnc21
Cc1ccc(Cn2c(CCCC(=O)NC3CCCCCC3)nc3cccnc32)cc1 Cc1ccc(cc1)C[*:1] O=C(CCCc1nc2cccnc2n1[*:1])NC1CCCCCC1
CC[NH+](Cc1cc(N)ccc1OC)CC(C)(C)O CC(C)(O)[*:1] CC[NH+](Cc1cc(N)ccc1OC)C[*:1]
CC[NH+](Cc1cc(N)ccc1OC)CC(C)(C)O CC(C)(O)C[*:1] CC[NH+](Cc1cc(N)ccc1OC)[*:1]
CCOc1ccc(-c2nc(C(=O)Nc3nc(C)no3)cs2)cc1 CCO[*:1] Cc1noc(n1)NC(=O)c1csc(n1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(C(=O)Nc3nc(C)no3)cs2)cc1 Cc1noc(n1)[*:1] CCOc1ccc(cc1)-c1nc(cs1)C(=O)N[*:1]
CCOc1ccccc1NC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 CCO[*:1] COc1ccc(cc1OC)-c1nc(cs1)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 CCOc1ccccc1[*:1] COc1ccc(cc1OC)-c1nc(cs1)C(=O)N[*:1]
C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)N(C)Cc1ccco1 C1CC1[*:1] C[C@H](Oc1ccc2CCN(C(=O)[*:1])[C@@H](c3ccccc3)c2c1)C(=O)N(C)Cc1ccco1
C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)N(C)Cc1ccco1 c1coc(c1)C[*:1] C[C@H](Oc1ccc2CCN(C(=O)C3CC3)[C@@H](c3ccccc3)c2c1)C(=O)N(C)[*:1]
C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)N(C)Cc1ccco1 CN(Cc1ccco1)C(=O)[*:1] C[C@H](Oc1ccc2CCN(C(=O)C3CC3)[C@@H](c3ccccc3)c2c1)[*:1]
C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)N(C)Cc1ccco1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc2CCN(C(=O)C3CC3)[C@@H](c2c1)[*:1])C(=O)N(C)Cc1ccco1
C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)N(C)Cc1ccco1 c1coc(c1)[*:1] C[C@H](Oc1ccc2CCN(C(=O)C3CC3)[C@@H](c3ccccc3)c2c1)C(=O)N(C)C[*:1]
COc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(F)cc(F)cc3s2)c1 COc1cccc(c1)[*:1] O=C(N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1)[*:1]
COc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(F)cc(F)cc3s2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)C(=O)N(C[*:1])c1nc2c(F)cc(F)cc2s1
COc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(F)cc(F)cc3s2)c1 c1ccc(C[*:1])nc1 COc1cccc(c1)C(=O)N(c1nc2c(F)cc(F)cc2s1)[*:1]
CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1COc2ccccc2O1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCCCN1C(=O)O[*:1])[C@@H]1COc2ccccc2O1
C[NH+](C)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)C1 c1cnn(n1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CN(Cc1ccccc1-c1ccccc1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 c1ccc(cc1)[*:1] CN(Cc1ccccc1[*:1])C(=O)Cc1cc(Cl)c2OCCOc2c1
C[C@@H](C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
C[C@@H](C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1)n1cncn1 C[C@@H](n1cncn1)[*:1] O=C(N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
C[C@@H](C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1)n1cncn1 FC(F)(F)[*:1] C[C@@H](C(=O)N1CC[C@H](C1)Oc1ccc(cn1)[*:1])n1cncn1
COC(=O)c1cc(CNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)ccc1OC COC(=O)[*:1] COc1ccc(cc1[*:1])CNC(=O)c1ccc(cc1)N1C(=O)CCC1=O
COC(=O)c1cc(CNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)ccc1OC O=C1CCC(=O)N1[*:1] COC(=O)c1cc(ccc1OC)CNC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[NH+](Cc2ccccc2)C3)cc1 COC(=O)[*:1] N#Cc1c(NC(=O)c2ccc(cc2)[*:1])sc2C[NH+](CCc21)Cc1ccccc1
COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[NH+](Cc2ccccc2)C3)cc1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1sc2C[NH+](CCc2c1C#N)[*:1]
COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[NH+](Cc2ccccc2)C3)cc1 COC(=O)c1ccc(cc1)[*:1] N#Cc1c(NC(=O)[*:1])sc2C[NH+](CCc21)Cc1ccccc1
COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[NH+](Cc2ccccc2)C3)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1sc2C[NH+](CCc2c1C#N)C[*:1]
C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1cncc(F)c1 c1ccc(cc1)[*:1] C[C@H](CCO)N(C[*:1])S(=O)(=O)c1cncc(F)c1
C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1cncc(F)c1 OCC[*:1] C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cncc(F)c1)[*:1]
C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1cncc(F)c1 c1ccc(cc1)C[*:1] C[C@H](CCO)N(S(=O)(=O)c1cncc(F)c1)[*:1]
C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1cncc(F)c1 Fc1cncc(c1)[*:1] C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)[*:1]
CCN(Cc1ccccn1)C(=O)CSc1nc(C)c(C)c(C)c1C#N c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)CSc1nc(C)c(C)c(C)c1C#N
CCN(Cc1ccccn1)C(=O)CSc1nc(C)c(C)c(C)c1C#N c1ccc(C[*:1])nc1 CCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)[*:1]
CC(C)[NH+](CC(N)=O)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 NC(=O)[*:1] CC(C)[NH+](CC(=O)N(C)c1ccc(cc1)[N+](=O)[O-])C[*:1]
CC(C)[NH+](CC(N)=O)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 CC(C)[*:1] CN(C(=O)C[NH+](CC(N)=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)[NH+](CC(N)=O)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 NC(=O)C[*:1] CC(C)[NH+](CC(=O)N(C)c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)[NH+](CC(N)=O)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)[NH+](CC(N)=O)CC(=O)N(C)c1ccc(cc1)[*:1]
CC[C@@H](CSC)N(C)C(=O)/C=C/c1cn(C)c2ccccc12 CSC[*:1] CC[C@@H](N(C)C(=O)/C=C/c1cn(C)c2ccccc12)[*:1]
COc1ccc(CN(C(=O)NCc2cccnc2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)NCc1cccnc1)[*:1]
COc1ccc(CN(C(=O)NCc2cccnc2)C2CC2)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)CN(C(=O)N[*:1])C1CC1
COc1ccc(CN(C(=O)NCc2cccnc2)C2CC2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)CN(C(=O)NC[*:1])C1CC1
CN(CC#N)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 N#CC[*:1] CN(CC(=O)N(CCC(N)=O)c1ccc(F)cc1)[*:1]
CN(CC#N)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 NC(=O)CC[*:1] CN(CC#N)CC(=O)N(c1ccc(F)cc1)[*:1]
CN(CC#N)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 CN(CC#N)C[*:1] NC(=O)CCN(C(=O)[*:1])c1ccc(F)cc1
CN(CC#N)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CC#N)CC(=O)N(CCC(N)=O)[*:1]
CN(CC#N)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 CN(CC#N)[*:1] NC(=O)CCN(C(=O)C[*:1])c1ccc(F)cc1
CN(CC#N)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 NC(=O)C[*:1] CN(CC#N)CC(=O)N(C[*:1])c1ccc(F)cc1
CN(CC#N)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 NC(=O)[*:1] CN(CC#N)CC(=O)N(CC[*:1])c1ccc(F)cc1
Cc1cc(C(=O)Nc2ccccc2-n2ncc3c(=O)[nH]cnc32)no1 Cc1cc(no1)[*:1] O=C(Nc1ccccc1-n1ncc2c(=O)[nH]cnc21)[*:1]
CCC(=O)Nc1cc(NC(=S)NC(=O)C(C)(C)C)ccc1C CC(C)(C)[*:1] CCC(=O)Nc1cc(ccc1C)NC(=S)NC(=O)[*:1]
CCC(=O)Nc1cc(NC(=S)NC(=O)C(C)(C)C)ccc1C CCC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=S)NC(=O)C(C)(C)C
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] CCc1ccc(cc1S(=O)(=O)C[*:1])C(=O)[O-]
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Cc1cnn(C)c1 O=C([O-])[*:1] CCc1ccc(cc1S(=O)(=O)Cc1cnn(C)c1)[*:1]
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Cc1cnn(C)c1 Cn1cc(cn1)C[*:1] CCc1ccc(cc1S(=O)(=O)[*:1])C(=O)[O-]
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1Cl)C(C(N)=O)=C(N)O2 c1ccc(cc1)[*:1] Cc1nn(c2OC(N)=C(C(N)=O)[C@@H](c3ccccc3Cl)c12)[*:1]
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1Cl)C(C(N)=O)=C(N)O2 NC(=O)[*:1] Cc1nn(-c2ccccc2)c2OC(N)=C([C@@H](c3ccccc3Cl)c12)[*:1]
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1Cl)C(C(N)=O)=C(N)O2 Clc1ccccc1[*:1] Cc1nn(-c2ccccc2)c2OC(N)=C(C(N)=O)[C@@H](c12)[*:1]
Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(NC(=O)C2CC2)s1
Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 O=C(N[*:1])C1CC1 Cc1ccc(cc1)CNC(=O)c1ccc(s1)[*:1]
Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 C1CC1[*:1] Cc1ccc(cc1)CNC(=O)c1ccc(NC(=O)[*:1])s1
C[C@@H](CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C(C)(C)C CC(C)(C)[*:1] C[C@@H](CC(=O)NNc1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3c(C)noc3C)CC2)c1C Cc1noc(C)c1[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 CCc1nn(C)cc1[*:1] CC(C)c1ccc(cc1)[C@H]1CCCN1C(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2 Fc1ccccc1[*:1] O=C(Nc1cccc(Cl)c1)Nc1cc2OCCOc2cc1C(=O)[*:1]
O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2 O=C(c1ccccc1F)[*:1] O=C(Nc1cccc(Cl)c1)Nc1cc2OCCOc2cc1[*:1]
O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2 Clc1cccc(c1)[*:1] O=C(Nc1cc2OCCOc2cc1C(=O)c1ccccc1F)N[*:1]
O=S(=O)(Cc1ccccc1)c1ccc2c(c1)S(=O)(=O)N=CN2 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])c1ccc2NC=NS(=O)(=O)c2c1
O=S(=O)(Cc1ccccc1)c1ccc2c(c1)S(=O)(=O)N=CN2 c1ccc(cc1)C[*:1] O=S1(=O)N=CNc2ccc(cc21)S(=O)(=O)[*:1]
O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)Nc1ccccc1C(F)(F)F Brc1ccc(cc1)[*:1] O=C(C[NH2+]C1(CCOCC1)[*:1])Nc1ccccc1C(F)(F)F
O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(C[NH2+]C1(CCOCC1)c1ccc(Br)cc1)Nc1ccccc1[*:1]
O=C(NNC(=O)c1nccc2ccccc12)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(NNC(=O)c1nccc2ccccc12)c1ccc(cc1)[*:1]
Cn1cccc1C(=O)NNC(=O)c1cc2ccc(Cl)cc2[nH]1 Cn1cccc1[*:1] O=C(NNC(=O)[*:1])c1cc2ccc(Cl)cc2[nH]1
CN(CC(=O)OC1CCN(CC(F)(F)F)CC1)C(=O)c1ccccc1 FC(F)(F)[*:1] CN(CC(=O)OC1CCN(CC1)C[*:1])C(=O)c1ccccc1
CN(CC(=O)OC1CCN(CC(F)(F)F)CC1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)OC1CCN(CC1)CC(F)(F)F)C(=O)[*:1]
CN(CC(=O)OC1CCN(CC(F)(F)F)CC1)C(=O)c1ccccc1 FC(F)(F)C[*:1] CN(CC(=O)OC1CCN(CC1)[*:1])C(=O)c1ccccc1
CC[C@@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)[*:1]
CCN(CC)C(=O)CCCNC(=O)N1CCC[C@@H]1C1CCCCC1 CCN(CC)C(=O)C[*:1] O=C(NCC[*:1])N1CCC[C@@H]1C1CCCCC1
CCN(CC)C(=O)CCCNC(=O)N1CCC[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] CCN(CC)C(=O)CCCNC(=O)N1CCC[C@H]1[*:1]
CCN(CC)C(=O)CCCNC(=O)N1CCC[C@@H]1C1CCCCC1 CCN(CC)C(=O)[*:1] O=C(NCCC[*:1])N1CCC[C@@H]1C1CCCCC1
Cc1cc(Cl)cc(C)c1OCC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(Cl)cc(C)c1OCC(=O)N[*:1]
Cc1cc(-n2c(SCC(=O)N3CCCC[C@H]3C)nc3ccsc3c2=O)ccc1F Cc1cc(ccc1F)[*:1] C[C@@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1[*:1]
CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCCc2ccccc2)CC1 Clc1ccc(cc1)[*:1] CC(=O)Nc1c(C)nn(c1N1CCC(CC1)C(=O)NCCc1ccccc1)[*:1]
CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(CC1)C(=O)NC[*:1]
CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCCc2ccccc2)CC1 O=C(NCCc1ccccc1)[*:1] CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(CC1)[*:1]
CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCCc2ccccc2)CC1 CC(=O)N[*:1] Cc1nn(-c2ccc(Cl)cc2)c(c1[*:1])N1CCC(CC1)C(=O)NCCc1ccccc1
CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(CC1)C(=O)NCC[*:1]
CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(CC1)C(=O)N[*:1]
CC(C)C[C@@H](NC(=O)NC(C)C)C(=O)N1CCc2nnc(-c3ccccn3)n2CC1 CC(C)C[*:1] CC(C)NC(=O)N[C@@H](C(=O)N1CCc2nnc(-c3ccccn3)n2CC1)[*:1]
CC(C)C[C@@H](NC(=O)NC(C)C)C(=O)N1CCc2nnc(-c3ccccn3)n2CC1 c1ccc(nc1)[*:1] CC(C)C[C@@H](NC(=O)NC(C)C)C(=O)N1CCc2nnc(n2CC1)[*:1]
CC(C)C[C@@H](NC(=O)NC(C)C)C(=O)N1CCc2nnc(-c3ccccn3)n2CC1 CC(C)NC(=O)N[*:1] CC(C)C[C@@H](C(=O)N1CCc2nnc(-c3ccccn3)n2CC1)[*:1]
CC(C)C[C@@H](NC(=O)NC(C)C)C(=O)N1CCc2nnc(-c3ccccn3)n2CC1 CC(C)[*:1] CC(C)NC(=O)N[C@H](C[*:1])C(=O)N1CCc2nnc(-c3ccccn3)n2CC1
CC(C)C[C@@H](NC(=O)NC(C)C)C(=O)N1CCc2nnc(-c3ccccn3)n2CC1 CC(C)[*:1] CC(C)C[C@@H](NC(=O)N[*:1])C(=O)N1CCc2nnc(-c3ccccn3)n2CC1
CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccnc2)no1 CCS(=O)(=O)[*:1] O=C(CCc1nc(no1)-c1cccnc1)Nc1cc(Cl)ccc1[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccnc2)no1 c1cncc(c1)[*:1] CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CCc1nc(no1)[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Clc1ccc(cc1Cl)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cnc(C3CC3)s2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)[NH2+]Cc1cnc(s1)C1CC1
CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cnc(C3CC3)s2)C1 C1CC1[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)[NH2+]Cc1cnc(s1)[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 O=[N+]([O-])c1ccccc1[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)Cc1ccc(o1)[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 O=[N+]([O-])[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)Cc1ccc(o1)-c1ccccc1[*:1]
O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N[C@@H]1C[C@@H]1[*:1]
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)N(C)Cc1ccccc1
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(cc1)-c1ccccc1)C(=O)N(C)C[*:1]
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Oc1ccc(cc1)-c1ccccc1)C(=O)N(C)[*:1]
O=C(COC1CCCCC1)NC1CC[NH+](CCc2ccncc2)CC1 c1cc(ccn1)CC[*:1] O=C(COC1CCCCC1)NC1CC[NH+](CC1)[*:1]
O=C(COC1CCCCC1)NC1CC[NH+](CCc2ccncc2)CC1 C1CCC(CC1)O[*:1] O=C(C[*:1])NC1CC[NH+](CCc2ccncc2)CC1
O=C(COC1CCCCC1)NC1CC[NH+](CCc2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(COC1CCCCC1)NC1CC[NH+](CC1)CC[*:1]
O=C(COC1CCCCC1)NC1CC[NH+](CCc2ccncc2)CC1 C1CCC(CC1)OC[*:1] O=C(NC1CC[NH+](CCc2ccncc2)CC1)[*:1]
O=C(COC1CCCCC1)NC1CC[NH+](CCc2ccncc2)CC1 c1cc(ccn1)C[*:1] O=C(COC1CCCCC1)NC1CC[NH+](CC1)C[*:1]
O=C(COC1CCCCC1)NC1CC[NH+](CCc2ccncc2)CC1 C1CCC(CC1)[*:1] O=C(CO[*:1])NC1CC[NH+](CCc2ccncc2)CC1
O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)([N-]c1cccc(c1)-c1ccc(nn1)N1CCCC1)c1ccc(F)c(c1)[*:1]
O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc(F)c(C(F)(F)F)c1 C1CCN(C1)[*:1] O=S(=O)([N-]c1cccc(c1)-c1ccc(nn1)[*:1])c1ccc(F)c(c1)C(F)(F)F
Cn1cc(C(=O)[O-])c(C(=O)Nc2[nH]ncc2-c2ccc(Cl)cc2)n1 O=C([O-])[*:1] Cn1cc(c(n1)C(=O)Nc1[nH]ncc1-c1ccc(Cl)cc1)[*:1]
Cn1cc(C(=O)[O-])c(C(=O)Nc2[nH]ncc2-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cn1cc(C(=O)[O-])c(n1)C(=O)Nc1[nH]ncc1[*:1]
CCCC[C@@H]1S/C(=N/N=C/c2cc(C)ccc2OS(=O)(=O)c2ccccc2)NC1=O CCC[*:1] Cc1ccc(OS(=O)(=O)c2ccccc2)c(/C=N/N=C2\NC(=O)[C@H](C[*:1])S2)c1
CCCC[C@@H]1S/C(=N/N=C/c2cc(C)ccc2OS(=O)(=O)c2ccccc2)NC1=O O=S(=O)(O[*:1])c1ccccc1 CCCC[C@@H]1S/C(=N/N=C/c2cc(C)ccc2[*:1])NC1=O
CCCC[C@@H]1S/C(=N/N=C/c2cc(C)ccc2OS(=O)(=O)c2ccccc2)NC1=O c1ccc(cc1)[*:1] CCCC[C@@H]1S/C(=N/N=C/c2cc(C)ccc2OS(=O)(=O)[*:1])NC1=O
CCCC[C@@H]1S/C(=N/N=C/c2cc(C)ccc2OS(=O)(=O)c2ccccc2)NC1=O CCCC[*:1] Cc1ccc(OS(=O)(=O)c2ccccc2)c(/C=N/N=C2\NC(=O)[C@@H](S2)[*:1])c1
Cc1cccc(CN2CCCN(c3ccc(C(=O)NCC[NH+](C)C)cc3)C2=O)c1 Cc1cccc(c1)[*:1] C[NH+](C)CCNC(=O)c1ccc(cc1)N1CCCN(C[*:1])C1=O
Cc1cccc(CN2CCCN(c3ccc(C(=O)NCC[NH+](C)C)cc3)C2=O)c1 Cc1cccc(c1)C[*:1] C[NH+](C)CCNC(=O)c1ccc(cc1)N1CCCN(C1=O)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)C1=O c1ccc(cc1)CC[*:1] C[C@@]1(NC(=O)N(NC(=O)CN2CC[NH+](CC2)[C@H]2CCS(=O)(=O)C2)C1=O)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)C1=O c1ccc(cc1)C[*:1] C[C@]1(C[*:1])NC(=O)N(NC(=O)CN2CC[NH+](CC2)[C@H]2CCS(=O)(=O)C2)C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)C1=O c1ccc(cc1)[*:1] C[C@]1(CC[*:1])NC(=O)N(NC(=O)CN2CC[NH+](CC2)[C@H]2CCS(=O)(=O)C2)C1=O
CSCc1ccnc(NCc2[nH]c(-c3ccccc3)c[nH+]2)c1 c1ccc(cc1)[*:1] CSCc1ccnc(c1)NCc1[nH]c(c[nH+]1)[*:1]
CSCc1ccnc(NCc2[nH]c(-c3ccccc3)c[nH+]2)c1 CSC[*:1] c1ccc(cc1)-c1c[nH+]c(CNc2cc(ccn2)[*:1])[nH]1
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)c1ccc(-n3ncc(Cl)c(Cl)c3=O)cc1)C2 O=c1c(Cl)c(Cl)cnn1[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NS(=O)(=O)c1ccc(cc1)[*:1]
N#Cc1ccc(C[NH+]2CCCN(c3ncc(C(N)=O)cc3Cl)CC2)cc1 N#Cc1ccc(cc1)[*:1] NC(=O)c1cnc(c(Cl)c1)N1CCC[NH+](CC1)C[*:1]
N#Cc1ccc(C[NH+]2CCCN(c3ncc(C(N)=O)cc3Cl)CC2)cc1 NC(=O)[*:1] N#Cc1ccc(cc1)C[NH+]1CCCN(CC1)c1ncc(cc1Cl)[*:1]
COc1cccc(/C(C)=C/C(=O)N2CCC[C@H](CNC(C)=O)C2)c1 COc1cccc(c1)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)C=C(C)[*:1]
COc1cccc(/C(C)=C/C(=O)N2CCC[C@H](CNC(C)=O)C2)c1 CC(=O)N[*:1] COc1cccc(c1)/C(C)=C/C(=O)N1CCC[C@@H](C1)C[*:1]
COc1cccc(/C(C)=C/C(=O)N2CCC[C@H](CNC(C)=O)C2)c1 CC(=O)NC[*:1] COc1cccc(c1)/C(C)=C/C(=O)N1CCC[C@H](C1)[*:1]
Cc1noc(C)c1C[NH2+][C@H](C)[C@H](C)C(=O)[O-] O=C([O-])[*:1] Cc1noc(C)c1C[NH2+][C@H](C)[C@H](C)[*:1]
CCOC[C@@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O CC(C)[*:1] CCOC[C@@H](C)[NH2+][C@@H]1CCN(C1=O)[*:1]
CCOC[C@@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O CCO[*:1] CC(C)N1CC[C@@H]([NH2+][C@H](C)C[*:1])C1=O
CCOC[C@@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O CCOC[*:1] CC(C)N1CC[C@@H]([NH2+][C@H](C)[*:1])C1=O
Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)S(=O)(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)N1C[C@@H](Oc2ccccc21)C(N)=O)S(=O)(=O)C=C[*:1]
CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)S(=O)(=O)/C=C/c1ccccc1 NC(=O)[*:1] CN(CC(=O)N1C[C@H](Oc2ccccc21)[*:1])S(=O)(=O)/C=C/c1ccccc1
CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)S(=O)(=O)/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 CN(CC(=O)N1C[C@@H](Oc2ccccc21)C(N)=O)S(=O)(=O)[*:1]
Cc1ccc(SC2(C(=O)N3CCC[C@@H](C(N)=O)C3)CCCC2)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)C1(CCCC1)S[*:1]
Cc1ccc(SC2(C(=O)N3CCC[C@@H](C(N)=O)C3)CCCC2)cc1 Cc1ccc(cc1)S[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)C1(CCCC1)[*:1]
Cc1ccc(SC2(C(=O)N3CCC[C@@H](C(N)=O)C3)CCCC2)cc1 NC(=O)[*:1] Cc1ccc(cc1)SC1(CCCC1)C(=O)N1CCC[C@@H](C1)[*:1]
CCN(Cc1cccc(NC(=O)[C@H](C)c2ccc3ccccc3c2)c1)C(C)=O CCN(C(C)=O)[*:1] C[C@@H](C(=O)Nc1cccc(c1)C[*:1])c1ccc2ccccc2c1
CCN(Cc1cccc(NC(=O)[C@H](C)c2ccc3ccccc3c2)c1)C(C)=O CCN(C[*:1])C(C)=O C[C@@H](C(=O)Nc1cccc(c1)[*:1])c1ccc2ccccc2c1
Cc1n[nH]cc1CN(C)[C@H](C)Cc1ccsc1 c1cc(cs1)[*:1] Cc1n[nH]cc1CN(C)[C@H](C)C[*:1]
O=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1)/N=C/c1cccc(c1)[*:1])N1CCOCC1
O=C(c1[nH]nc2c1CN(C(=O)C1CC1)CC2)N1CCCCC1 C1CC1[*:1] O=C(c1[nH]nc2CCN(Cc21)C(=O)[*:1])N1CCCCC1
C[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc(O)c1 Oc1cccc(c1)[*:1] C[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[*:1]
COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2Cc2ccco2)cc1OC O=C(c1cc2ccccc2o1)[*:1] COc1ccc(cc1OC)[C@H]1C(=C([O-])C(=O)N1Cc1ccco1)[*:1]
COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2Cc2ccco2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1[*:1])c1cc2ccccc2o1
COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2Cc2ccco2)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)[C@H]1C(C(=O)c2cc3ccccc3o2)=C([O-])C(=O)N1C[*:1]
COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2Cc2ccco2)cc1OC c1coc(c1)C[*:1] COc1ccc(cc1OC)[C@H]1C(C(=O)c2cc3ccccc3o2)=C([O-])C(=O)N1[*:1]
COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2Cc2ccco2)cc1OC c1ccc2oc(cc2c1)[*:1] COc1ccc(cc1OC)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccco1
c1ccc(OCC[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)OCC[NH+]1CCN(CC1)[*:1]
c1ccc(OCC[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)O[*:1] c1ccc(cc1)N1CC[NH+](CC1)CC[*:1]
c1ccc(OCC[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)N1CC[NH+](CCO[*:1])CC1
O=C(Oc1ccc2nccnc2c1)C(C1CC1)C1CC1 C1CC1[*:1] O=C(Oc1ccc2nccnc2c1)C(C1CC1)[*:1]
O=C1CC[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1CC1CCCCC1 C1CCC(CC1)C[*:1] O=C([C@H]1CCC(=O)N(C1)[*:1])N1CCC(CC1)Cn1cccn1
O=C1CC[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1CC1CCCCC1 C1CCC(CC1)[*:1] O=C1CC[C@@H](CN1C[*:1])C(=O)N1CCC(CC1)Cn1cccn1
O=C1CC[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1CC1CCCCC1 c1cnn(c1)C[*:1] O=C1CC[C@@H](CN1CC1CCCCC1)C(=O)N1CCC(CC1)[*:1]
O=C1CC[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1CC1CCCCC1 c1cnn(c1)[*:1] O=C1CC[C@@H](CN1CC1CCCCC1)C(=O)N1CCC(CC1)C[*:1]
CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N2CCC(c3ccccc3)CC2)c1 O=C(NCc1ccccc1)[*:1] CC(C)n1cc(C(=O)N2CCC(CC2)c2ccccc2)c(=O)c(c1)[*:1]
CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N2CCC(c3ccccc3)CC2)c1 CC(C)[*:1] O=C(NCc1ccccc1)c1cn(cc(C(=O)N2CCC(CC2)c2ccccc2)c1=O)[*:1]
CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N2CCC(c3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] CC(C)n1cc(C(=O)N[*:1])c(=O)c(c1)C(=O)N1CCC(CC1)c1ccccc1
CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N2CCC(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CC(C)n1cc(C(=O)NC[*:1])c(=O)c(c1)C(=O)N1CCC(CC1)c1ccccc1
CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)N2CCC(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CC(C)n1cc(C(=O)NCc2ccccc2)c(=O)c(c1)C(=O)N1CCC(CC1)[*:1]
CSc1nn(-c2ccccc2)c(-c2ccc(OC(F)(F)F)cc2)c1C#N FC(F)(F)O[*:1] CSc1nn(-c2ccccc2)c(-c2ccc(cc2)[*:1])c1C#N
CSc1nn(-c2ccccc2)c(-c2ccc(OC(F)(F)F)cc2)c1C#N FC(F)(F)[*:1] CSc1nn(-c2ccccc2)c(-c2ccc(cc2)O[*:1])c1C#N
CSc1nn(-c2ccccc2)c(-c2ccc(OC(F)(F)F)cc2)c1C#N c1ccc(cc1)[*:1] CSc1nn(c(-c2ccc(cc2)OC(F)(F)F)c1C#N)[*:1]
CC(=O)Nc1ccc(OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 C1CC1[*:1] CC(=O)Nc1ccc(cc1)OCC(=O)N1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1ccc(OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 CC(=O)N[*:1] O=C(COc1ccc(cc1)[*:1])N1CCN(CC1)C(=O)C1CC1
O=C(Nc1nc(-c2cc3ccccc3o2)cs1)[C@@H]1COc2ccccc2O1 c1ccc2oc(cc2c1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1COc2ccccc2O1
CC(=O)Nc1c(C)cc(NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)cc1C CC(=O)N[*:1] Cc1cc(C(=O)Nc2cc(C)c(c(C)c2)[*:1])c2c(=O)[nH]n(C)c2n1
Cn1ccc(CNC(=O)c2cccc(-c3ccoc3)c2)c1 Cn1ccc(c1)[*:1] O=C(NC[*:1])c1cccc(c1)-c1ccoc1
Cn1ccc(CNC(=O)c2cccc(-c3ccoc3)c2)c1 Cn1ccc(c1)C[*:1] O=C(N[*:1])c1cccc(c1)-c1ccoc1
Cn1ccc(CNC(=O)c2cccc(-c3ccoc3)c2)c1 c1cc(co1)[*:1] Cn1ccc(c1)CNC(=O)c1cccc(c1)[*:1]
CCC1(C(=O)Nc2[nH]ncc2/C(N)=N/O)CCCC1 N/C(=N\O)[*:1] CCC1(CCCC1)C(=O)Nc1[nH]ncc1[*:1]
Cc1ccc(/C=C/C(=O)n2nc(N)c3ccccc32)o1 Cc1ccc(o1)[*:1] Nc1nn(C(=O)C=C[*:1])c2ccccc12
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(nc1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-n2cccc2)nc1 CC[C@@H](C)NC(=O)[*:1] C[C@@H](NC(=O)c1ccc(nc1)-n1cccc1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-n2cccc2)nc1 CC[C@@H](C)[*:1] C[C@@H](NC(=O)c1ccc(nc1)-n1cccc1)C(=O)N[*:1]
Cc1ccccc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 Cc1ccccc1[*:1] c1ccn2cc(CN3CCN(CC3)[*:1])[nH+]c2c1
COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 COc1ccc(C)cc1[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)[*:1]
COc1ccccc1OC(=O)c1ccc(OCC(C)C)cc1 CC(C)CO[*:1] COc1ccccc1OC(=O)c1ccc(cc1)[*:1]
COc1ccccc1OC(=O)c1ccc(OCC(C)C)cc1 CC(C)C[*:1] COc1ccccc1OC(=O)c1ccc(cc1)O[*:1]
COc1ccccc1OC(=O)c1ccc(OCC(C)C)cc1 CC(C)[*:1] COc1ccccc1OC(=O)c1ccc(cc1)OC[*:1]
CNS(=O)(=O)c1ccc(N(C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNS(=O)(=O)c1ccc(c(c1)[*:1])N(C)Cc1ccc(O)cc1
CNS(=O)(=O)c1ccc(N(C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 Oc1ccc(cc1)C[*:1] CNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)[*:1]
CNS(=O)(=O)c1ccc(N(C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 Oc1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C[*:1]
CNS(=O)(=O)c1ccc(N(C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 CNS(=O)(=O)[*:1] CN(Cc1ccc(O)cc1)c1ccc(cc1[N+](=O)[O-])[*:1]
O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc2OCCOc2c1)[*:1]
O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 O=C(NC1CC1)[*:1] c1ccc(cc1)[C@H]([NH2+]Cc1ccc2OCCOc2c1)[*:1]
O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 C1CC1[*:1] O=C(N[*:1])[C@@H]([NH2+]Cc1ccc2OCCOc2c1)c1ccccc1
CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 CC[C@@H](C)[*:1] O=C(N[*:1])c1ccc(cc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1
CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 CC[C@@H](C)NC(=O)[*:1] O=S(=O)([N-]c1ccc(cc1)[*:1])c1ccc(F)c(F)c1
CCC[C@H](O)c1cc2c(cc1NC(=O)c1ccco1)OCCO2 CCC[*:1] O=C(Nc1cc2OCCOc2cc1[C@@H](O)[*:1])c1ccco1
CCC[C@H](O)c1cc2c(cc1NC(=O)c1ccco1)OCCO2 c1coc(c1)[*:1] CCC[C@H](O)c1cc2OCCOc2cc1NC(=O)[*:1]
Cc1cc(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)c(Cl)cc1Cl Cc1nccn1[*:1] Cc1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1cc(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)c(Cl)cc1Cl Cc1cc(c(Cl)cc1Cl)[*:1] Cc1nccn1-c1ccc(nn1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(N2CCN(C(=O)NCc3ncn(C)n3)CC2)c1C Cn1cnc(C[*:1])n1 Cc1cccc(c1C)N1CCN(CC1)C(=O)N[*:1]
Cc1cccc(N2CCN(C(=O)NCc3ncn(C)n3)CC2)c1C Cn1cnc(n1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)NC[*:1]
Cc1cccc(N2CCN(C(=O)NCc3ncn(C)n3)CC2)c1C Cc1cccc(c1C)[*:1] Cn1cnc(CNC(=O)N2CCN(CC2)[*:1])n1
COC(=O)c1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)cc1F COC(=O)[*:1] Fc1ccc(cc1)[C@H](NCc1ccc(c(F)c1)[*:1])c1ccccc1
COC(=O)c1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)cc1F Fc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1F)CN[C@H](c1ccccc1)[*:1]
COC(=O)c1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)cc1F c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1F)CN[C@H](c1ccc(F)cc1)[*:1]
COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@@H](c1nnnn1[*:1])N1CCN(CC1)c1ccc(F)cc1
COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 CC(C)(C)n1nnnc1[*:1] COc1ccc(cc1)[C@@H](N1CCN(CC1)c1ccc(F)cc1)[*:1]
COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](c1nnnn1C(C)(C)C)N1CCN(CC1)[*:1]
COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)n1nnnc1[C@@H](N1CCN(CC1)c1ccc(F)cc1)[*:1]
CC(C)Oc1cccc(/C=C/C(=O)NCc2cc(C#N)ccc2F)c1 CC(C)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)/C=C/c1cccc(c1)O[*:1]
CC(C)Oc1cccc(/C=C/C(=O)NCc2cc(C#N)ccc2F)c1 CC(C)O[*:1] N#Cc1ccc(F)c(c1)CNC(=O)/C=C/c1cccc(c1)[*:1]
Cc1ccc(NC(=O)CN2C(=O)[C@@H](C(=O)N3CCCCCC3)Sc3ccccc32)c(C)c1 O=C(N1CCCCCC1)[*:1] Cc1ccc(NC(=O)CN2C(=O)[C@@H](Sc3ccccc32)[*:1])c(C)c1
Cc1ccc(NC(=O)CN2C(=O)[C@@H](C(=O)N3CCCCCC3)Sc3ccccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CN1C(=O)[C@H](Sc2ccccc21)C(=O)N1CCCCCC1)N[*:1]
Cc1cccc(NC(=O)CN(C)C(=O)c2cnn(-c3ccccc3)n2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)CN(C)C(=O)c2cnn(n2)[*:1])c1C
Cc1cccc(NC(=O)CN(C)C(=O)c2cnn(-c3ccccc3)n2)c1C Cc1cccc(c1C)[*:1] CN(CC(=O)N[*:1])C(=O)c1cnn(n1)-c1ccccc1
CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cc(Cl)ccc1F CCC[*:1] Cc1ccc(C[C@@H]([NH2+][*:1])c2cc(Cl)ccc2F)nc1
CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cc(Cl)ccc1F Cc1ccc(nc1)[*:1] CCC[NH2+][C@H](C[*:1])c1cc(Cl)ccc1F
CCCN(CCO)C(=O)Nc1cccc(OC)c1 OCC[*:1] CCCN(C(=O)Nc1cccc(c1)OC)[*:1]
CCCN(CCO)C(=O)Nc1cccc(OC)c1 CCC[*:1] COc1cccc(c1)NC(=O)N(CCO)[*:1]
Cn1cnc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 O=[N+]([O-])[*:1] Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1[*:1]
Cn1cnc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 Cn1cnc(c1)[*:1] O=[N+]([O-])c1ccccc1N1CCN(CC1)S(=O)(=O)[*:1]
CCc1cccc(C)c1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)CSc1ncnc2c1cnn2[*:1]
CCc1cccc(C)c1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 CCc1cccc(C)c1[*:1] O=C(CSc1ncnc2c1cnn2-c1ccccc1)N[*:1]
Cc1cscc1[C@H](Br)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Cc1cscc1[*:1] O=c1[nH]c2ccc(cc2[nH]c1=O)[C@@H](Br)[*:1]
Clc1ccc(NCc2n[nH]c(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] Clc1ccc(cc1)NCc1n[nH]c(n1)[*:1]
C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)F)n2)C1 FC(F)C[*:1] C[C@H]1CC[C@H](C1)[NH2+]Cc1cccc(n1)O[*:1]
C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)F)n2)C1 FC(F)[*:1] C[C@H]1CC[C@H](C1)[NH2+]Cc1cccc(n1)OC[*:1]
C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)F)n2)C1 FC(F)CO[*:1] C[C@H]1CC[C@H](C1)[NH2+]Cc1cccc(n1)[*:1]
CN(CC(C)(C)O)C(=O)c1n[nH]cc1N CC(C)(O)C[*:1] CN(C(=O)c1n[nH]cc1N)[*:1]
CN(CC(C)(C)O)C(=O)c1n[nH]cc1N CC(C)(O)[*:1] CN(C[*:1])C(=O)c1n[nH]cc1N
CCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)N[C@H]1CCC[C@H](C)[C@@H]1C CCC[*:1] C[C@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c(nc4ccccc43)C(=O)N2[*:1])[C@H]1C
CC(C)[C@H](CC(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1)c1ccco1 CC(C)[*:1] O=C(C[C@H](c1ccco1)[*:1])N1CCC(CC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1
CC(C)[C@H](CC(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1)c1ccco1 CC(C)[C@H](c1ccco1)[*:1] O=C(C[*:1])N1CCC(CC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1
CC(C)[C@H](CC(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1)c1ccco1 CC(C)[C@H](C[*:1])c1ccco1 O=C(N1CCC(CC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[*:1]
CC(C)[C@H](CC(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1)c1ccco1 c1coc(c1)[*:1] CC(C)[C@H](CC(=O)N1CCC(CC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[*:1]
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ncccc1F CS(=O)(=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)c1ncccc1F
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ncccc1F Fc1cccnc1[*:1] C[C@@H](c1ccc(cc1)S(C)(=O)=O)N(C)[*:1]
CCc1nc(C)c([C@H](C)[NH2+]CC2(C3CC3)CC2)s1 C1CC1[*:1] CCc1nc(C)c(s1)[C@H](C)[NH2+]CC1(CC1)[*:1]
CCc1nc(C)c([C@H](C)[NH2+]CC2(C3CC3)CC2)s1 C1CC1C1(CC1)[*:1] CCc1nc(C)c(s1)[C@H](C)[NH2+]C[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](C1CCCC1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](c1ccccc1F)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](c1ccccc1F)C1CCCC1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)N[C@H](c1ccccc1F)C1CCCC1)[*:1]
Cn1cnn(-c2ccc(N[C@@H]3CCN(C4CC4)C3=O)cc2)c1=O Cn1cnn(c1=O)[*:1] O=C1[C@@H](CCN1C1CC1)Nc1ccc(cc1)[*:1]
Cn1cnn(-c2ccc(N[C@@H]3CCN(C4CC4)C3=O)cc2)c1=O C1CC1[*:1] Cn1cnn(-c2ccc(cc2)N[C@@H]2CCN(C2=O)[*:1])c1=O
COC[C@]1(C)CC(=O)NC(=O)[C@H]1CC(C)C CC(C)C[*:1] COC[C@]1(C)CC(=O)NC(=O)[C@@H]1[*:1]
COC[C@]1(C)CC(=O)NC(=O)[C@H]1CC(C)C COC[*:1] CC(C)C[C@@H]1C(=O)NC(=O)C[C@]1(C)[*:1]
COC[C@]1(C)CC(=O)NC(=O)[C@H]1CC(C)C CC(C)[*:1] COC[C@]1(C)CC(=O)NC(=O)[C@H]1C[*:1]
COC(=O)c1cc(C)ccc1NC(=O)[C@@](C)(N)C(F)(F)F COC(=O)[*:1] Cc1ccc(NC(=O)[C@@](C)(N)C(F)(F)F)c(c1)[*:1]
COC(=O)c1cc(C)ccc1NC(=O)[C@@](C)(N)C(F)(F)F FC(F)(F)[*:1] COC(=O)c1cc(C)ccc1NC(=O)[C@@](C)(N)[*:1]
Cc1nc(CS(=O)(=O)CC(=O)N(C(C)C)C(C)C)no1 Cc1nc(no1)[*:1] CC(C)N(C(=O)CS(=O)(=O)C[*:1])C(C)C
Cc1nc(CS(=O)(=O)CC(=O)N(C(C)C)C(C)C)no1 CC(C)[*:1] Cc1nc(CS(=O)(=O)CC(=O)N(C(C)C)[*:1])no1
COc1ccc(-c2nnn(CC(=O)Nc3ccccc3SC)n2)cc1 COc1ccc(cc1)[*:1] CSc1ccccc1NC(=O)Cn1nnc(n1)[*:1]
COc1ccc(-c2nnn(CC(=O)Nc3ccccc3SC)n2)cc1 CSc1ccccc1[*:1] COc1ccc(cc1)-c1nnn(CC(=O)N[*:1])n1
NC(=O)c1ccsc1NC(=O)COC(=O)c1n[nH]c2ccccc12 NC(=O)c1ccsc1[*:1] O=C(COC(=O)c1n[nH]c2ccccc12)N[*:1]
NC(=O)c1ccsc1NC(=O)COC(=O)c1n[nH]c2ccccc12 NC(=O)[*:1] O=C(COC(=O)c1n[nH]c2ccccc12)Nc1sccc1[*:1]
COc1ccc(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1 O=C(Nc1ccccc1)[*:1] COc1ccc(cc1)CNC(=O)Nc1cc(ccc1C)[*:1]
COc1ccc(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])C(=O)Nc1ccccc1
COc1ccc(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)Nc1cc(ccc1C)C(=O)N[*:1]
COc1ccc(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1NC(=O)N[*:1])C(=O)Nc1ccccc1
NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 NC(=O)CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1C[C@H]1c1ccccc1
NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 NC(=O)[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)[C@@H]1C[C@H]1c1ccccc1
NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)CNC(=O)c1ccc(cc1)NC(=O)[C@@H]1C[C@@H]1[*:1]
NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 NC(=O)C[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@@H]1C[C@H]1c1ccccc1
CCOC(=O)C1=C[C@H](c2ccc(C)nc2)ON1 CCOC(=O)[*:1] Cc1ccc(cn1)[C@H]1C=C(NO1)[*:1]
Cc1nn(C)c2c(N3CCCCCC3)nc(C3CC3)nc12 C1CCCN(CC1)[*:1] Cc1nn(C)c2c(nc(nc12)C1CC1)[*:1]
Cc1nn(C)c2c(N3CCCCCC3)nc(C3CC3)nc12 C1CC1[*:1] Cc1nn(C)c2c(nc(nc12)[*:1])N1CCCCCC1
N#CC1=C(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)S[C@@H]2CCC[C@H]12 C1CCN(C1)[*:1] N#CC1=C(NC(=O)c2ccc(c(c2)[N+](=O)[O-])[*:1])S[C@@H]2CCC[C@H]12
N#CC1=C(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)S[C@@H]2CCC[C@H]12 O=[N+]([O-])[*:1] N#CC1=C(NC(=O)c2ccc(c(c2)[*:1])N2CCCC2)S[C@@H]2CCC[C@H]12
CC(C)c1ccc(-c2noc(CNc3ccccc3C(=O)N3CCC[C@H](O)C3)n2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(c1ccccc1NCc1nc(no1)[*:1])N1CCC[C@H](O)C1
CC(C)c1ccc(-c2noc(CNc3ccccc3C(=O)N3CCC[C@H](O)C3)n2)cc1 CC(C)[*:1] O=C(c1ccccc1NCc1nc(no1)-c1ccc(cc1)[*:1])N1CCC[C@H](O)C1
O=C(COc1nncc2ccccc12)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(COc1nncc2ccccc12)NC[*:1]
O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)N[*:1]
O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NC[*:1]
O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NCc1ccc(F)cc1 Fc1cccc(F)c1[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)NCc1ccc(F)cc1
CCCCC[C@@H](O)[C@]1(C[NH3+])CCOc2ccccc21 CCCC[*:1] [NH3+]C[C@]1(CCOc2ccccc21)[C@H](O)C[*:1]
CCCCC[C@@H](O)[C@]1(C[NH3+])CCOc2ccccc21 CCCCC[*:1] [NH3+]C[C@]1(CCOc2ccccc21)[C@H](O)[*:1]
CCCCC[C@@H](O)[C@]1(C[NH3+])CCOc2ccccc21 CCC[*:1] [NH3+]C[C@]1(CCOc2ccccc21)[C@H](O)CC[*:1]
CCOC(=O)c1nc(CC)oc1NC(=O)c1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCOC(=O)c1nc(CC)oc1NC(=O)c1ncn(n1)[*:1]
CCOC(=O)c1nc(CC)oc1NC(=O)c1ncn(-c2ccccc2)n1 CCOC(=O)[*:1] CCc1nc(c(NC(=O)c2ncn(n2)-c2ccccc2)o1)[*:1]
C[C@@H](O)[C@H](C)C1(C(=O)[O-])CCCCCC1 C[C@@H](O)[*:1] C[C@H](C1(CCCCCC1)C(=O)[O-])[*:1]
C[C@@H](O)[C@H](C)C1(C(=O)[O-])CCCCCC1 O=C([O-])[*:1] C[C@@H](O)[C@H](C)C1(CCCCCC1)[*:1]
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)n(CCCC(C)C)c(=O)[nH]c1=O CC(C)CCC[*:1] COc1ccc2c(C(=O)O[C@H]2c2c(O)n(c(=O)[nH]c2=O)[*:1])c1OC
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)n(CCCC(C)C)c(=O)[nH]c1=O CC(C)CC[*:1] COc1ccc2c(C(=O)O[C@H]2c2c(O)n(C[*:1])c(=O)[nH]c2=O)c1OC
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)n(CCCC(C)C)c(=O)[nH]c1=O CC(C)C[*:1] COc1ccc2c(C(=O)O[C@H]2c2c(O)n(CC[*:1])c(=O)[nH]c2=O)c1OC
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)n(CCCC(C)C)c(=O)[nH]c1=O CC(C)[*:1] COc1ccc2c(C(=O)O[C@H]2c2c(O)n(CCC[*:1])c(=O)[nH]c2=O)c1OC
CCOC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O CCOC(=O)C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccccc1
CCOC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O CCOC(=O)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
CCOC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCOC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1ccc(C)c(NC(=O)c2cc(=O)oc3cc(OC(C)C)ccc23)c1 CC(C)O[*:1] Cc1ccc(C)c(c1)NC(=O)c1cc(=O)oc2cc(ccc12)[*:1]
Cc1ccc(C)c(NC(=O)c2cc(=O)oc3cc(OC(C)C)ccc23)c1 CC(C)[*:1] Cc1ccc(C)c(c1)NC(=O)c1cc(=O)oc2cc(ccc12)O[*:1]
Cc1ccc(C)c(NC(=O)c2cc(=O)oc3cc(OC(C)C)ccc23)c1 Cc1ccc(C)c(c1)[*:1] CC(C)Oc1ccc2c(cc(=O)oc2c1)C(=O)N[*:1]
COc1cccc(CN(Cc2ncccc2C)C[C@H]2CCCO2)c1 Cc1cccnc1C[*:1] COc1cccc(c1)CN(C[C@H]1CCCO1)[*:1]
COc1cccc(CN(Cc2ncccc2C)C[C@H]2CCCO2)c1 Cc1cccnc1[*:1] COc1cccc(c1)CN(C[C@H]1CCCO1)C[*:1]
COc1cccc(CN(Cc2ncccc2C)C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] COc1cccc(c1)CN(Cc1ncccc1C)[*:1]
COc1cccc(CN(Cc2ncccc2C)C[C@H]2CCCO2)c1 COc1cccc(c1)[*:1] Cc1cccnc1CN(C[C@H]1CCCO1)C[*:1]
CCN(CCS(C)(=O)=O)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 CS(=O)(=O)C[*:1] CCN(Cc1cn(C)nc1-c1ccc2OCCCOc2c1)C[*:1]
CCN(CCS(C)(=O)=O)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 CS(=O)(=O)CC[*:1] CCN(Cc1cn(C)nc1-c1ccc2OCCCOc2c1)[*:1]
CCN(CCS(C)(=O)=O)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 CS(=O)(=O)[*:1] CCN(CC[*:1])Cc1cn(C)nc1-c1ccc2OCCCOc2c1
CCN(CCS(C)(=O)=O)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 CCN(CCS(C)(=O)=O)[*:1] Cn1cc(C[*:1])c(n1)-c1ccc2OCCCOc2c1
COc1cc(CCNC(=O)N2CCC(O)CC2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])CCNC(=O)N1CCC(O)CC1
COc1cc(CCNC(=O)N2CCC(O)CC2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])CCNC(=O)N1CCC(O)CC1
COc1ccc2nc(NC[C@@H](C)CSC)sc2c1 CSC[*:1] COc1ccc2nc(NC[C@@H](C)[*:1])sc2c1
COc1ccc2nc(NC[C@@H](C)CSC)sc2c1 CSC[C@H](C)[*:1] COc1ccc2nc(NC[*:1])sc2c1
C[C@@H]1C[NH+]=C(N2CCN([C@H](C)c3ncc(C(C)(C)C)o3)CC2)S1 CC(C)(C)[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)[C@H](C)c1ncc(o1)[*:1]
CCc1ccccc1OCC(=O)NC1(C(N)=O)CCCC1 NC(=O)[*:1] CCc1ccccc1OCC(=O)NC1(CCCC1)[*:1]
CCC[C@@H]1CN(C(=O)c2ccc(C#N)cc2)CCO1 CCC[*:1] N#Cc1ccc(cc1)C(=O)N1CCO[C@@H](C1)[*:1]
CCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(C)cc1-2 CCS[*:1] CC(=O)N1c2ccc(C)cc2-c2nnc(nc2O[C@H]1c1ccc(C#N)cc1)[*:1]
CCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(C)cc1-2 N#Cc1ccc(cc1)[*:1] CCSc1nnc2-c3cc(C)ccc3N(C(C)=O)[C@H](Oc2n1)[*:1]
CCC[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)C1CC1 CCC[*:1] C1C[C@H](C[C@@]2(CCSC2)O1)[NH2+][C@H](C1CC1)[*:1]
CCC[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)C1CC1 C1CC1[*:1] CCC[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccco1 c1coc(c1)[*:1] COC(=O)[C@@H]1C(=O)N=C(N[C@@H]1[*:1])N1CCN(CC1)c1ncccn1
COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccco1 c1cnc(nc1)[*:1] COC(=O)[C@@H]1C(=O)N=C(N[C@H]1c1ccco1)N1CCN(CC1)[*:1]
COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1ccco1 COC(=O)[*:1] O=C1N=C(N[C@@H](c2ccco2)[C@@H]1[*:1])N1CCN(CC1)c1ncccn1
O=[N+]([O-])c1ccccc1Cc1ccccc1 O=[N+]([O-])[*:1] c1ccc(cc1)Cc1ccccc1[*:1]
Cc1cc(N)cc(C)c1S(=O)(=O)N(C)[C@H](C)C(C)(C)C C[C@H](C(C)(C)C)[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)N(C)[*:1]
Cc1cc(N)cc(C)c1S(=O)(=O)N(C)[C@H](C)C(C)(C)C CC(C)(C)[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)N(C)[C@H](C)[*:1]
Cc1nc(C2(NC(=O)NC[C@H]3C[C@H]3c3ccccc3)CCCC2)no1 Cc1nc(no1)[*:1] O=C(NC[C@H]1C[C@H]1c1ccccc1)NC1(CCCC1)[*:1]
Cc1nc(C2(NC(=O)NC[C@H]3C[C@H]3c3ccccc3)CCCC2)no1 c1ccc(cc1)[*:1] Cc1nc(no1)C1(CCCC1)NC(=O)NC[C@H]1C[C@@H]1[*:1]
COc1ccc(CC(=O)/N=C2/S[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccccc2Cl)cc1OC COc1ccc(cc1OC)[*:1] O=C(C[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl
COc1ccc(CC(=O)/N=C2/S[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccccc2Cl)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1C[*:1]
COc1ccc(CC(=O)/N=C2/S[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccccc2Cl)cc1OC Clc1ccccc1C[*:1] COc1ccc(cc1OC)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CCC[NH2+][C@@H](c1ccc(CC)s1)[C@@H]1CCO[C@@H]1C CCC[*:1] CCc1ccc(s1)[C@H]([NH2+][*:1])[C@@H]1CCO[C@@H]1C
CC(C)[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)N[C@H](C)c1ccccc1 FC(F)(F)[*:1] CC(C)[C@@H](Sc1nccc(n1)[*:1])C(=O)N[C@H](C)c1ccccc1
CC(C)[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](Sc1nccc(n1)C(F)(F)F)C(=O)N[C@H](C)[*:1]
CC(C)[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)N[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] CC(C)[C@@H](Sc1nccc(n1)C(F)(F)F)C(=O)N[*:1]
CC(C)[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)N[C@H](C)c1ccccc1 CC(C)[*:1] C[C@@H](NC(=O)[C@H](Sc1nccc(n1)C(F)(F)F)[*:1])c1ccccc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 c1ccc2c(c[nH]c2c1)C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(F)cc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(F)cc2)N1CCc1c[nH]c2ccccc12
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccc(F)cc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 COc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(F)cc2)N1CCc1c[nH]c2ccccc12)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 c1ccc2c(c[nH]c2c1)CC[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(F)cc1)[*:1]
CC(C)CO[C@@H](C)c1noc(CN2CCO[C@H](c3cccc(F)c3)C2)n1 CC(C)CO[*:1] C[C@@H](c1noc(CN2CCO[C@@H](C2)c2cccc(F)c2)n1)[*:1]
CC(C)CO[C@@H](C)c1noc(CN2CCO[C@H](c3cccc(F)c3)C2)n1 Fc1cccc(c1)[*:1] CC(C)CO[C@@H](C)c1noc(CN2CCO[C@H](C2)[*:1])n1
CC(C)CO[C@@H](C)c1noc(CN2CCO[C@H](c3cccc(F)c3)C2)n1 CC(C)[*:1] C[C@H](OC[*:1])c1noc(CN2CCO[C@@H](C2)c2cccc(F)c2)n1
CC(C)CO[C@@H](C)c1noc(CN2CCO[C@H](c3cccc(F)c3)C2)n1 CC(C)CO[C@@H](C)[*:1] Fc1cccc(c1)[C@@H]1CN(CCO1)Cc1nc(no1)[*:1]
CC(C)CO[C@@H](C)c1noc(CN2CCO[C@H](c3cccc(F)c3)C2)n1 CC(C)C[*:1] C[C@H](O[*:1])c1noc(CN2CCO[C@@H](C2)c2cccc(F)c2)n1
COc1cc(CN(C)C(=O)c2oc(C)nc2C)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])CN(C)C(=O)c1oc(C)nc1C
COc1cc(CN(C)C(=O)c2oc(C)nc2C)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])CN(C)C(=O)c1oc(C)nc1C
COc1cc(CN(C)C(=O)c2oc(C)nc2C)ccc1OC(F)F Cc1nc(C)c(o1)[*:1] COc1cc(ccc1OC(F)F)CN(C)C(=O)[*:1]
CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN1C(=O)[C@@H](CC(=O)N[*:1])S/C1=N\c1cccc(Cl)c1
CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)SC1=N[*:1]
CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CCO[C@@H]1C[C@@H]1[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)[*:1]
CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CCO[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)[C@@H]1C[C@H]1[*:1]
CCCc1nn(C)c(NCCc2ccc(F)cc2C)c1N CCC[*:1] Cc1cc(F)ccc1CCNc1c(N)c(nn1C)[*:1]
COc1ccc(OC)c(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)c1 COc1ccc(OC)c(c1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(cc1)C(=O)c1ccccc1
COc1ccc(OC)c(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)-c1nnc(NC(=O)c2ccc(cc2)C(=O)[*:1])o1
COc1ccc(OC)c(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)c1 O=C(c1ccccc1)[*:1] COc1ccc(OC)c(c1)-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
Cc1cccc(C)c1OC[C@@H](O)CN1CCN(CC(N)=O)CC1 NC(=O)C[*:1] Cc1cccc(C)c1OC[C@@H](O)CN1CCN(CC1)[*:1]
Cc1cccc(C)c1OC[C@@H](O)CN1CCN(CC(N)=O)CC1 NC(=O)[*:1] Cc1cccc(C)c1OC[C@@H](O)CN1CCN(CC1)C[*:1]
O=C(c1cncs1)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1 c1ncc(s1)[*:1] O=C(N1CCC(CC1)n1c(CCc2ccccc2)nc2cccnc21)[*:1]
O=C(c1cncs1)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1 c1ccc(cc1)C[*:1] O=C(c1cncs1)N1CCC(CC1)n1c(C[*:1])nc2cccnc21
O=C(c1cncs1)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1 c1ccc(cc1)[*:1] O=C(c1cncs1)N1CCC(CC1)n1c(CC[*:1])nc2cccnc21
O=C(c1cncs1)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1 c1ccc(cc1)CC[*:1] O=C(c1cncs1)N1CCC(CC1)n1c(nc2cccnc21)[*:1]
Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2cc(C(C)C)nc(N)n2)c1C CC(C)[*:1] Cc1ccccc1-n1ncc(c1C)[C@@H](C)NC(=O)c1cc(nc(N)n1)[*:1]
Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2cc(C(C)C)nc(N)n2)c1C Cc1ccccc1[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC(=O)c1cc(nc(N)n1)C(C)C
CCn1cc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)C[C@H](C)O4)no2)cn1 CCn1cc(cn1)[*:1] C[C@H]1Cc2cc(ccc2O1)CN(C)C(=O)c1cc(on1)[*:1]
CSC[C@H](C)N(C)S(=O)(=O)N1CCc2ccccc2C1 CSC[*:1] C[C@H](N(C)S(=O)(=O)N1CCc2ccccc2C1)[*:1]
Cc1cc(C)nc([C@@H](C#N)C(=O)CCC(=O)Nc2nccs2)n1 c1csc(n1)[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)CCC(=O)N[*:1]
Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc2c(c1)OCCO2 Cn1cc(cn1)[*:1] Cc1c(nc(N)c(C#N)c1-c1ccc2OCCOc2c1)[*:1]
NC(=S)c1cn[nH]c1NC(=O)C1(c2ccccc2)CC1 NC(=S)[*:1] O=C(Nc1[nH]ncc1[*:1])C1(CC1)c1ccccc1
NC(=S)c1cn[nH]c1NC(=O)C1(c2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=S)c1cn[nH]c1NC(=O)C1(CC1)[*:1]
COC(=O)N1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2C)CC1 NS(=O)(=O)[*:1] COC(=O)N1CCC(CC1)NC(=O)c1cc(ccc1C)[*:1]
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)C[*:1] COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1O[*:1]
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 CN(C)C(=O)C(C#N)=C[*:1] COc1cc(cc(Cl)c1OCc1ccc(Cl)c(Cl)c1)[*:1]
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 CN(C)C(=O)[*:1] COc1cc(C=C(C#N)[*:1])cc(Cl)c1OCc1ccc(Cl)c(Cl)c1
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OC[*:1]
C=CCNC(=O)NC(=O)[C@H](C)N(C)Cc1sccc1C Cc1ccsc1[*:1] C=CCNC(=O)NC(=O)[C@H](C)N(C)C[*:1]
C=CCNC(=O)NC(=O)[C@H](C)N(C)Cc1sccc1C C=CC[*:1] Cc1ccsc1CN(C)[C@@H](C)C(=O)NC(=O)N[*:1]
CCc1ccc(CNC(=O)CS[C@H](C)C(C)C)s1 CC(C)[*:1] CCc1ccc(CNC(=O)CS[C@H](C)[*:1])s1
CCc1ccc(CNC(=O)CS[C@H](C)C(C)C)s1 CC(C)[C@@H](C)S[*:1] CCc1ccc(CNC(=O)C[*:1])s1
CCc1ccc(CNC(=O)CS[C@H](C)C(C)C)s1 CC(C)[C@@H](C)[*:1] CCc1ccc(CNC(=O)CS[*:1])s1
Fc1ccc([C@@H](Br)Cc2ccncc2)c(F)c1F c1cc(ccn1)[*:1] Fc1ccc(c(F)c1F)[C@@H](Br)C[*:1]
COC(=O)[C@](NC(=O)Nc1ccc(Cl)cn1)(Oc1ccccc1)C(F)(F)F COC(=O)[*:1] O=C(Nc1ccc(Cl)cn1)N[C@](Oc1ccccc1)(C(F)(F)F)[*:1]
COC(=O)[C@](NC(=O)Nc1ccc(Cl)cn1)(Oc1ccccc1)C(F)(F)F Clc1ccc(nc1)[*:1] COC(=O)[C@](NC(=O)N[*:1])(Oc1ccccc1)C(F)(F)F
COC(=O)[C@](NC(=O)Nc1ccc(Cl)cn1)(Oc1ccccc1)C(F)(F)F c1ccc(cc1)O[*:1] COC(=O)[C@](NC(=O)Nc1ccc(Cl)cn1)(C(F)(F)F)[*:1]
COC(=O)[C@](NC(=O)Nc1ccc(Cl)cn1)(Oc1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] COC(=O)[C@](NC(=O)Nc1ccc(Cl)cn1)(O[*:1])C(F)(F)F
COC(=O)[C@](NC(=O)Nc1ccc(Cl)cn1)(Oc1ccccc1)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@](NC(=O)Nc1ccc(Cl)cn1)(Oc1ccccc1)[*:1]
Nn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1F c1ccc(cc1)[*:1] Nn1c(CO[*:1])nnc1SCC(=O)Nc1ccc(F)cc1F
Nn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1F c1ccc(cc1)O[*:1] Nn1c(C[*:1])nnc1SCC(=O)Nc1ccc(F)cc1F
Nn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Nn1c(COc2ccccc2)nnc1SCC(=O)N[*:1]
Nn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1F c1ccc(cc1)OC[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1ccc(F)cc1F
[NH3+][C@H]1CCCN(C2CC2)[C@H]1c1c[nH+]cn1C1CC1 C1CC1[*:1] [NH3+][C@H]1CCCN([C@H]1c1c[nH+]cn1C1CC1)[*:1]
[NH3+][C@H]1CCCN(C2CC2)[C@H]1c1c[nH+]cn1C1CC1 C1CC1[*:1] [NH3+][C@H]1CCCN(C2CC2)[C@H]1c1c[nH+]cn1[*:1]
CN[C@](CSc1ccncc1)(C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CN[C@](CSc1ccncc1)(C(N)=O)[*:1]
CN[C@](CSc1ccncc1)(C(N)=O)c1ccccc1 NC(=O)[*:1] CN[C@](CSc1ccncc1)(c1ccccc1)[*:1]
CN[C@](CSc1ccncc1)(C(N)=O)c1ccccc1 c1cc(ccn1)[*:1] CN[C@](CS[*:1])(C(N)=O)c1ccccc1
CS[C@H](C)c1cccc(NC(=O)N[C@@H]2CCO[C@@H]2C)c1 CS[C@H](C)[*:1] C[C@H]1OCC[C@H]1NC(=O)Nc1cccc(c1)[*:1]
CCCCNC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1 CCC[*:1] O=C(Cn1nnc(n1)-c1ccc(cc1)N1CCOCC1)NC[*:1]
CCCCNC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1 CCCCNC(=O)[*:1] c1cc(ccc1-c1nnn(C[*:1])n1)N1CCOCC1
CCCCNC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1 C1CN(CCO1)[*:1] CCCCNC(=O)Cn1nnc(n1)-c1ccc(cc1)[*:1]
CCCCNC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1 CCCCNC(=O)C[*:1] c1cc(ccc1-c1nnn(n1)[*:1])N1CCOCC1
CCCCNC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1 CCCC[*:1] O=C(Cn1nnc(n1)-c1ccc(cc1)N1CCOCC1)N[*:1]
N#Cc1cccc(CSc2nnc(C3CC3)n2Cc2ccccc2)c1 C1CC1[*:1] N#Cc1cccc(c1)CSc1nnc(n1Cc1ccccc1)[*:1]
N#Cc1cccc(CSc2nnc(C3CC3)n2Cc2ccccc2)c1 N#Cc1cccc(c1)[*:1] c1ccc(cc1)Cn1c(nnc1C1CC1)SC[*:1]
N#Cc1cccc(CSc2nnc(C3CC3)n2Cc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)CSc1nnc(C2CC2)n1C[*:1]
N#Cc1cccc(CSc2nnc(C3CC3)n2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] N#Cc1cccc(c1)CSc1nnc(C2CC2)n1[*:1]
C/C(=N\Nc1ccc(F)cc1F)c1ccco1 c1coc(c1)[*:1] CC(=NNc1ccc(F)cc1F)[*:1]
C=CCN1C(=O)/C(=C\c2ccco2)S/C1=N\c1cccc(C(=O)[O-])c1 O=C([O-])[*:1] C=CCN1C(=O)/C(=C\c2ccco2)S/C1=N\c1cccc(c1)[*:1]
C=CCN1C(=O)/C(=C\c2ccco2)S/C1=N\c1cccc(C(=O)[O-])c1 c1coc(c1)[*:1] C=CCN1C(=O)C(=C[*:1])S/C1=N\c1cccc(c1)C(=O)[O-]
C=CCN1C(=O)/C(=C\c2ccco2)S/C1=N\c1cccc(C(=O)[O-])c1 C=CC[*:1] O=C([O-])c1cccc(c1)/N=C1\S/C(=C/c2ccco2)C(=O)N1[*:1]
CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1cccc(C(C)=O)c1 c1ccc(cc1)[*:1] CC(=O)NC(=C[*:1])C(=O)Nc1cccc(c1)C(C)=O
CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1cccc(C(C)=O)c1 CC(=O)[*:1] CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1cccc(C(C)=O)c1 CC(=O)N[*:1] CC(=O)c1cccc(c1)NC(=O)C(=Cc1ccccc1)[*:1]
Cc1cc([C@H](C)NC(=O)N(C)Cc2ccc3c(c2)OCCO3)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)N(C)Cc1ccc2OCCOc2c1)[*:1]
COC[C@H](NC(=O)c1cccc(C)c1C)c1ccc(F)c(F)c1 COC[*:1] Cc1cccc(C(=O)N[C@H](c2ccc(F)c(F)c2)[*:1])c1C
O=C1N=C2C=CC=CN2C(=O)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C1N=C2C=CC=CN2C(=O)[C@H]1[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cnccc3C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccncc1NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cnccc3C)cc2)cc1 Cc1ccncc1[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CC[C@@H](C)N(CC)C(=O)C[C@H]([NH3+])c1ccccc1 CC[C@@H](C)[*:1] CCN(C(=O)C[C@H]([NH3+])c1ccccc1)[*:1]
CC[C@@H](C)N(CC)C(=O)C[C@H]([NH3+])c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)N(CC)C(=O)C[C@H]([NH3+])[*:1]
Cc1ccc2ncc(C(=O)Nc3ccccc3Cl)c(=O)n2c1 Clc1ccccc1[*:1] Cc1ccc2ncc(C(=O)N[*:1])c(=O)n2c1
O=C(COc1ccc(F)cc1)NCCn1c(C(F)(F)F)nc2ccccc21 Fc1ccc(cc1)O[*:1] O=C(C[*:1])NCCn1c(nc2ccccc21)C(F)(F)F
O=C(COc1ccc(F)cc1)NCCn1c(C(F)(F)F)nc2ccccc21 Fc1ccc(cc1)[*:1] O=C(CO[*:1])NCCn1c(nc2ccccc21)C(F)(F)F
O=C(COc1ccc(F)cc1)NCCn1c(C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] O=C(COc1ccc(F)cc1)NCCn1c(nc2ccccc21)[*:1]
O=C(COc1ccc(F)cc1)NCCn1c(C(F)(F)F)nc2ccccc21 Fc1ccc(cc1)OC[*:1] O=C(NCCn1c(nc2ccccc21)C(F)(F)F)[*:1]
CCOc1ncnc(NNC(=O)c2cccnc2)c1N c1cncc(c1)[*:1] CCOc1ncnc(NNC(=O)[*:1])c1N
CCOc1ncnc(NNC(=O)c2cccnc2)c1N CCO[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1cccnc1
O=C(Cn1cc(NC(=O)Nc2ccc3c(c2)CCC3)cn1)NCCO O=C(C[*:1])NCCO O=C(Nc1ccc2CCCc2c1)Nc1cnn(c1)[*:1]
O=C(Cn1cc(NC(=O)Nc2ccc3c(c2)CCC3)cn1)NCCO O=C(NCCO)[*:1] O=C(Nc1ccc2CCCc2c1)Nc1cnn(c1)C[*:1]
O=C(Cn1cc(NC(=O)Nc2ccc3c(c2)CCC3)cn1)NCCO OCC[*:1] O=C(Cn1cc(cn1)NC(=O)Nc1ccc2CCCc2c1)N[*:1]
Cn1c(C[NH+](C)Cc2ncn(-c3ccccc3)n2)nnc1C1CC1 C1CC1[*:1] Cn1c(C[NH+](C)Cc2ncn(n2)-c2ccccc2)nnc1[*:1]
Cn1c(C[NH+](C)Cc2ncn(-c3ccccc3)n2)nnc1C1CC1 c1ccc(cc1)[*:1] Cn1c(C[NH+](C)Cc2ncn(n2)[*:1])nnc1C1CC1
C[C@@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
C[C@@](NC(=O)CSCc1ccccc1)(C(=O)[O-])C1CC1 c1ccc(cc1)[*:1] C[C@@](NC(=O)CSC[*:1])(C(=O)[O-])C1CC1
C[C@@](NC(=O)CSCc1ccccc1)(C(=O)[O-])C1CC1 O=C([O-])[*:1] C[C@@](NC(=O)CSCc1ccccc1)(C1CC1)[*:1]
C[C@@](NC(=O)CSCc1ccccc1)(C(=O)[O-])C1CC1 C1CC1[*:1] C[C@@](NC(=O)CSCc1ccccc1)(C(=O)[O-])[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 c1cn(cn1)[*:1] Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)NC(=O)C1CC1)[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 O=C(N[*:1])C1CC1 Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)[*:1])-n1ccnc1
Cc1ccc(-n2ccnc2)c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 C1CC1[*:1] Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)NC(=O)[*:1])-n1ccnc1
CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H](O)[*:1]
CCOC(=O)[C@H](NC(C)=O)[C@H](O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOC(=O)[C@H](NC(C)=O)[C@H](O)c1ccccc1[*:1]
CCOC(=O)[C@H](NC(C)=O)[C@H](O)c1ccccc1[N+](=O)[O-] CC(=O)N[*:1] CCOC(=O)[C@H]([C@H](O)c1ccccc1[N+](=O)[O-])[*:1]
CCOC(=O)[C@H](NC(C)=O)[C@H](O)c1ccccc1[N+](=O)[O-] CCOC(=O)[*:1] CC(=O)N[C@H]([C@H](O)c1ccccc1[N+](=O)[O-])[*:1]
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 Fc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1)[*:1])c1ccc(F)cc1
Brc1nc(C[NH2+]C2CC2)cs1 C1CC1[*:1] Brc1nc(cs1)C[NH2+][*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@H](O)c2ccc(OC(F)F)cc2)CC1 FC(F)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C[C@H](O)c1ccc(cc1)O[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@H](O)c2ccc(OC(F)F)cc2)CC1 FC(F)O[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C[C@H](O)c1ccc(cc1)[*:1]
CC(C)n1ccc(CCNC(=O)N[C@@H]2CCC[C@H]2CO)n1 CC(C)[*:1] O=C(NCCc1ccn(n1)[*:1])N[C@@H]1CCC[C@H]1CO
C[C@H]1CSc2ccccc2N(S(=O)(=O)c2cc(S(N)(=O)=O)ccc2Cl)C1 NS(=O)(=O)[*:1] C[C@H]1CSc2ccccc2N(C1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
CC(C)c1ccc(N(CC(=O)N2CCN(c3cccc[nH+]3)CC2)S(=O)(=O)c2ccccc2)cc1 CC(C)[*:1] O=C(CN(c1ccc(cc1)[*:1])S(=O)(=O)c1ccccc1)N1CCN(CC1)c1cccc[nH+]1
CC(C)c1ccc(N(CC(=O)N2CCN(c3cccc[nH+]3)CC2)S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)N(CC(=O)N1CCN(CC1)c1cccc[nH+]1)S(=O)(=O)[*:1]
CC(C)c1ccc(N(CC(=O)N2CCN(c3cccc[nH+]3)CC2)S(=O)(=O)c2ccccc2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])N1CCN(CC1)c1cccc[nH+]1
C[C@@H](CCCO)NC(=O)[C@]1([NH3+])CCC[C@@H](C)C1 OCCC[*:1] C[C@@H](NC(=O)[C@]1([NH3+])CCC[C@@H](C)C1)[*:1]
C[C@@H](CCCO)NC(=O)[C@]1([NH3+])CCC[C@@H](C)C1 OCC[*:1] C[C@@H](C[*:1])NC(=O)[C@]1([NH3+])CCC[C@@H](C)C1
CC#CC[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 CC#C[*:1] C1C[C@@H]2CO[C@@H](C[NH2+]C[*:1])CN2C1
CC#CC[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 CC#CC[*:1] C1C[C@@H]2CO[C@@H](C[NH2+][*:1])CN2C1
Cc1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C[NH+]2CCC(CC2)OCC[*:1])c(C)o1
Cc1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] c1ccc(cc1)CCOC1CC[NH+](CC1)C[*:1]
Cc1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)c(C)o1 c1ccc(cc1)C[*:1] Cc1cc(C[NH+]2CCC(CC2)OC[*:1])c(C)o1
C=CC[NH+]1CCC(NC(=O)Nc2cccc(Cn3nc(C)nc3C)c2)CC1 Cc1nc(C)n(C[*:1])n1 C=CC[NH+]1CCC(CC1)NC(=O)Nc1cccc(c1)[*:1]
C=CC[NH+]1CCC(NC(=O)Nc2cccc(Cn3nc(C)nc3C)c2)CC1 Cc1nc(C)n(n1)[*:1] C=CC[NH+]1CCC(CC1)NC(=O)Nc1cccc(c1)C[*:1]
CCC[NH2+][C@H](C=C(C)C)C1CCOCC1 CCC[*:1] CC(C)=C[C@@H]([NH2+][*:1])C1CCOCC1
CCC[NH2+][C@H](C=C(C)C)C1CCOCC1 CC(C)=C[*:1] CCC[NH2+][C@H](C1CCOCC1)[*:1]
CC[C@H]1Cc2ccc(CC(C)C)cc2C(=O)N1 CC(C)[*:1] CC[C@H]1Cc2ccc(cc2C(=O)N1)C[*:1]
CC[C@H]1Cc2ccc(CC(C)C)cc2C(=O)N1 CC(C)C[*:1] CC[C@H]1Cc2ccc(cc2C(=O)N1)[*:1]
CC[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(OC)cc1 FC(F)(F)[*:1] CC[C@@H](N[C@@H]1CCCN(C[*:1])C1=O)c1ccc(cc1)OC
CC[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)[*:1]
CC[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(OC)cc1 FC(F)(F)C[*:1] CC[C@@H](N[C@@H]1CCCN(C1=O)[*:1])c1ccc(cc1)OC
Cc1ccc(-c2nc3nc(C)c(CC(=O)Nc4cccc(C)c4C)c(C)n3n2)cc1 Cc1cccc(c1C)[*:1] Cc1ccc(cc1)-c1nc2nc(C)c(CC(=O)N[*:1])c(C)n2n1
Cc1ccc(-c2nc3nc(C)c(CC(=O)Nc4cccc(C)c4C)c(C)n3n2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(NC(=O)Cc2c(C)nc3nc(nn3c2C)[*:1])c1C
Cc1ccc(C2(O)CC[NH+](Cc3nnc(-c4cccnc4)o3)CC2)nc1 c1cncc(c1)[*:1] Cc1ccc(nc1)C1(O)CC[NH+](CC1)Cc1nnc(o1)[*:1]
Cc1ccc(C2(O)CC[NH+](Cc3nnc(-c4cccnc4)o3)CC2)nc1 Cc1ccc(nc1)[*:1] OC1(CC[NH+](CC1)Cc1nnc(o1)-c1cccnc1)[*:1]
CCCn1nnnc1CSCc1ccc(F)cc1 CCC[*:1] Fc1ccc(cc1)CSCc1nnnn1[*:1]
CO[C@H]1CCC[C@@H](OC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 CC(C)[*:1] CO[C@H]1CCC[C@H](C1)OC(=O)[C@@H]1CCCN1C(=O)[*:1]
C#CCNC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 C#CC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CN1CCN(CC1)C(=O)N[*:1]
CC(C)c1nc2c(CCl)nccc2s1 CC(C)[*:1] ClCc1nccc2sc(nc12)[*:1]
C[C@@H](CC1CC1)NC(=O)c1cccn1CC(=O)[O-] C[C@@H](CC1CC1)[*:1] O=C([O-])Cn1cccc1C(=O)N[*:1]
C[C@@H](CC1CC1)NC(=O)c1cccn1CC(=O)[O-] O=C([O-])[*:1] C[C@@H](CC1CC1)NC(=O)c1cccn1C[*:1]
C[C@@H](CC1CC1)NC(=O)c1cccn1CC(=O)[O-] O=C([O-])C[*:1] C[C@@H](CC1CC1)NC(=O)c1cccn1[*:1]
C[C@@H](CC1CC1)NC(=O)c1cccn1CC(=O)[O-] C1CC1[*:1] C[C@@H](C[*:1])NC(=O)c1cccn1CC(=O)[O-]
C[C@@H](CC1CC1)NC(=O)c1cccn1CC(=O)[O-] C1CC1C[*:1] C[C@@H](NC(=O)c1cccn1CC(=O)[O-])[*:1]
C[C@H](Cc1cccs1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 c1csc(c1)C[*:1] C[C@H](NC(=O)c1ccc(c(O)c1)[N+](=O)[O-])[*:1]
C[C@H](Cc1cccs1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 O=[N+]([O-])[*:1] C[C@H](Cc1cccs1)NC(=O)c1ccc(c(O)c1)[*:1]
C[C@H](Cc1cccs1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)c1ccc(c(O)c1)[N+](=O)[O-]
CCOC(=O)c1cccc(N[C@H]2CS[C@@H](C)C2)c1 CCOC(=O)[*:1] C[C@H]1C[C@H](CS1)Nc1cccc(c1)[*:1]
NC(=S)[C@H]1CN(c2ncccc2C(F)(F)F)CCO1 FC(F)(F)[*:1] NC(=S)[C@H]1CN(CCO1)c1ncccc1[*:1]
NC(=S)[C@H]1CN(c2ncccc2C(F)(F)F)CCO1 NC(=S)[*:1] FC(F)(F)c1cccnc1N1CCO[C@H](C1)[*:1]
CC[NH+](CC(=O)Nc1sc(C)c(C)c1C#N)CC(=O)NC(C)C CC(C)NC(=O)[*:1] CC[NH+](CC(=O)Nc1sc(C)c(C)c1C#N)C[*:1]
CC[NH+](CC(=O)Nc1sc(C)c(C)c1C#N)CC(=O)NC(C)C CC(C)[*:1] CC[NH+](CC(=O)Nc1sc(C)c(C)c1C#N)CC(=O)N[*:1]
CC[NH+](CC(=O)Nc1sc(C)c(C)c1C#N)CC(=O)NC(C)C CC(C)NC(=O)C[*:1] CC[NH+](CC(=O)Nc1sc(C)c(C)c1C#N)[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)N(C)CCOc1ccccc1 c1ccc(cc1)[*:1] CO[C@H]1CCCC[C@H]1NC(=O)N(C)CCO[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)N(C)CCOc1ccccc1 c1ccc(cc1)O[*:1] CO[C@H]1CCCC[C@H]1NC(=O)N(C)CC[*:1]
CC[C@@H](O)c1ccn(Cc2ccc(I)cc2)c1 CC[C@@H](O)[*:1] Ic1ccc(cc1)Cn1ccc(c1)[*:1]
Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1C(=O)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] Nc1c(C(=O)N[*:1])c2ccccc2n1C(=O)c1ccc(F)cc1
Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1C(=O)[*:1]
CC(C)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1[*:1]
CC(C)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 CC(C)[*:1] CN1C(=O)CO[C@@H](C(=O)N[*:1])[C@@H]1c1cccc(F)c1
CC(C)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 CC(C)NC(=O)[*:1] CN1C(=O)CO[C@H]([C@@H]1c1cccc(F)c1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@H]2CCc2ccccc2)c1C c1ccc(cc1)CC[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@H]2CCc2ccccc2)c1C c1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@H]2CC[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@H]2CCc2ccccc2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N2CCCC[C@H]2CCc2ccccc2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@H]2CCc2ccccc2)c1C c1ccc(cc1)C[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@H]2C[*:1])c1C
N#C[C@H]1CN(c2cc(C(=O)[O-])c(N)cc2F)CCO1 O=C([O-])[*:1] N#C[C@H]1CN(CCO1)c1cc(c(N)cc1F)[*:1]
CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)OCC CCC[*:1] CCOC(=O)c1ccccc1NC(=O)[C@H](C)[*:1]
CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)OCC CCC[C@@H](C)[*:1] CCOC(=O)c1ccccc1NC(=O)[*:1]
CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)OCC CCOC(=O)[*:1] CCC[C@@H](C)C(=O)Nc1ccccc1[*:1]
C[C@H](Cc1cccs1)[NH2+]Cc1ccc([O-])c[nH+]1 c1csc(c1)[*:1] C[C@H](C[*:1])[NH2+]Cc1ccc([O-])c[nH+]1
CC[C@](C)(NC(=O)N[C@@H]1C=CS(=O)(=O)C1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)N[C@@H]1C=CS(=O)(=O)C1)[*:1]
Cc1nccc(C(=O)N2CCC[NH+](Cc3cnn(C(C)C)c3)CC2)n1 CC(C)[*:1] Cc1nccc(n1)C(=O)N1CCC[NH+](CC1)Cc1cnn(c1)[*:1]
Cc1nccc(C(=O)N2CCC[NH+](Cc3cnn(C(C)C)c3)CC2)n1 CC(C)n1cc(cn1)[*:1] Cc1nccc(n1)C(=O)N1CCC[NH+](CC1)C[*:1]
Cc1nccc(C(=O)N2CCC[NH+](Cc3cnn(C(C)C)c3)CC2)n1 Cc1nccc(n1)[*:1] CC(C)n1cc(cn1)C[NH+]1CCCN(CC1)C(=O)[*:1]
Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c(C)c1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccc(NC(=O)N2CCC[C@@H](C2)c2nnc(s2)[*:1])c(C)c1
Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(NC(=O)N2CCC[C@@H](C2)c2nnc(s2)C(=O)N[*:1])c(C)c1
C[C@H]1N[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 c1ccc(cc1)C[*:1] C[C@H]1N[C@@]2(C(=O)N(c3ccccc32)[*:1])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21
C[C@H]1N[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 c1ccc(cc1)C[*:1] C[C@H]1N[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1]
C[C@H]1N[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 c1ccc(cc1)[*:1] C[C@H]1N[C@@]2(C(=O)N(C[*:1])c3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21
C[C@H]1N[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 c1ccc(cc1)[*:1] C[C@H]1N[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2C(=O)N(C[*:1])C(=O)[C@@H]21
CC(C)c1ccc(CN(C)C(=O)[C@H]2CCO[C@@H]2C)cc1 CC(C)[*:1] C[C@H]1OCC[C@@H]1C(=O)N(C)Cc1ccc(cc1)[*:1]
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 Cc1cc(Cl)ccc1[*:1] O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)N[*:1]
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] Cc1cc(Cl)ccc1NC(=O)C(=O)NN=C[*:1]
Cc1ccc2c(c1)[C@@H]1NC(=S)N[C@](C)(O2)[C@H]1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccc2O[C@@]3(C)NC(=S)N[C@@H](c2c1)[C@@H]3C(=O)N[*:1]
Clc1cccc(CC[NH2+]Cc2cc[nH]c2)c1 c1cc(c[nH]1)[*:1] Clc1cccc(c1)CC[NH2+]C[*:1]
CCCNC(=O)c1cccc(CNC(=O)N2C[C@H]3CCCC[C@H]3C2)c1 CCC[*:1] O=C(N[*:1])c1cccc(c1)CNC(=O)N1C[C@H]2CCCC[C@H]2C1
CCCNC(=O)c1cccc(CNC(=O)N2C[C@H]3CCCC[C@H]3C2)c1 CCCNC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])N1C[C@H]2CCCC[C@H]2C1
CS(=O)(=O)Cc1cccc(NC(=O)NCc2cccc(Cn3ccnc3)c2)c1 CS(=O)(=O)[*:1] O=C(NCc1cccc(c1)Cn1ccnc1)Nc1cccc(c1)C[*:1]
CS(=O)(=O)Cc1cccc(NC(=O)NCc2cccc(Cn3ccnc3)c2)c1 c1cn(cn1)C[*:1] CS(=O)(=O)Cc1cccc(c1)NC(=O)NCc1cccc(c1)[*:1]
CS(=O)(=O)Cc1cccc(NC(=O)NCc2cccc(Cn3ccnc3)c2)c1 c1cn(cn1)[*:1] CS(=O)(=O)Cc1cccc(c1)NC(=O)NCc1cccc(c1)C[*:1]
CS(=O)(=O)Cc1cccc(NC(=O)NCc2cccc(Cn3ccnc3)c2)c1 CS(=O)(=O)C[*:1] O=C(NCc1cccc(c1)Cn1ccnc1)Nc1cccc(c1)[*:1]
Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 Cc1ccc(C)c(c1)[*:1] Cc1c(NC(=O)CCNS(=O)(=O)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NCCC(=O)Nc1c(C)n(C)n(c1=O)[*:1]
N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1cccc(Br)c1 c1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1cccc(Br)c1)OC(=O)CO[*:1]
N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1cccc(Br)c1 c1ccc(cc1)O[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1cccc(Br)c1)OC(=O)C[*:1]
N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1cccc(Br)c1 c1ccc(cc1)OC[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1cccc(Br)c1)OC(=O)[*:1]
N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1[*:1])OC(=O)COc1ccccc1
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)NC[C@H](C)c3ccsc3)C2)c1 C[C@@H](C[*:1])c1ccsc1 CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)N[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)NC[C@H](C)c3ccsc3)C2)c1 C[C@H](c1ccsc1)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)NC[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)NC[C@H](C)c3ccsc3)C2)c1 c1cc(cs1)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)NC[C@H](C)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)NC[C@H](C)c3ccsc3)C2)c1 CCOC(=O)[*:1] C[C@@H](CNC(=O)N1CCC[C@H](C1)n1cc(cn1)[*:1])c1ccsc1
O=C([O-])c1cc(/C=C/c2cccc3ccccc23)ncn1 O=C([O-])[*:1] C(=C/c1cccc2ccccc12)\c1cc(ncn1)[*:1]
CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(OCC(N)=O)cc3)sc2c1 NC(=O)[*:1] CCOc1ccc2nc(sc2c1)-n1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(cc1)OC[*:1]
CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(OCC(N)=O)cc3)sc2c1 NC(=O)COc1ccc(cc1)[*:1] CCOc1ccc2nc(sc2c1)-n1nc(C)c2c1NC(=O)C[C@H]2[*:1]
CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(OCC(N)=O)cc3)sc2c1 NC(=O)C[*:1] CCOc1ccc2nc(sc2c1)-n1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(cc1)O[*:1]
CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(OCC(N)=O)cc3)sc2c1 CCO[*:1] Cc1nn(-c2nc3ccc(cc3s2)[*:1])c2NC(=O)C[C@H](c3ccc(cc3)OCC(N)=O)c12
CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(OCC(N)=O)cc3)sc2c1 NC(=O)CO[*:1] CCOc1ccc2nc(sc2c1)-n1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(cc1)[*:1]
O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)c1ccc(F)cc1)OC[*:1]
O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)OCc1ccccc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[*:1])OCc1ccccc1
O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)c1ccc(F)cc1)O[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 C[C@H]1C[C@H]1[*:1] C[NH+](C)CCOc1ccc(cc1Cl)NC(=O)[*:1]
CCCNC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 CCC[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[*:1]
Cc1ccc(-c2csc(NC(=O)CCSc3cc(C)ncn3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ncn1)SCCC(=O)Nc1nc(cs1)[*:1]
Cc1ccc(-c2csc(NC(=O)CCSc3cc(C)ncn3)n2)cc1 Cc1cc(ncn1)S[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)CC[*:1]
Cc1ccc(-c2csc(NC(=O)CCSc3cc(C)ncn3)n2)cc1 Cc1cc(ncn1)[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)CCS[*:1]
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cnc(-c3ccccn3)s2)CC1 c1ccc(nc1)[*:1] C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC1)Cc1cnc(s1)[*:1]
Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c(Cl)cc21 O=S(=O)(N1CCCC1)[*:1] Cn1c(=O)oc2cc(c(Cl)cc21)S(=O)(=O)Nc1cccc(c1)[*:1]
C[NH2+][C@H](C=C(C)C)c1ccncc1 CC(C)=C[*:1] C[NH2+][C@H](c1ccncc1)[*:1]
Cc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1C NS(=O)(=O)[*:1] Cc1ccc(cc1C)-c1csc(n1)Nc1ccc(cc1)[*:1]
Cc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1C Cc1ccc(cc1C)[*:1] NS(=O)(=O)c1ccc(cc1)Nc1nc(cs1)[*:1]
COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(OC)cc1Br O=[N+]([O-])[*:1] COc1cc(NC(=O)COc2ccc(cc2)[*:1])c(cc1Br)OC
CCOc1ccc(C(=O)NC[C@@H]2Cc3cc(Oc4ccccc4)ccc3O2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)NC[C@@H]1Cc2cc(ccc2O1)O[*:1]
CCOc1ccc(C(=O)NC[C@@H]2Cc3cc(Oc4ccccc4)ccc3O2)cc1 c1ccc(cc1)O[*:1] CCOc1ccc(cc1)C(=O)NC[C@@H]1Cc2cc(ccc2O1)[*:1]
CCOc1ccc(C(=O)NC[C@@H]2Cc3cc(Oc4ccccc4)ccc3O2)cc1 CCO[*:1] O=C(NC[C@@H]1Cc2cc(ccc2O1)Oc1ccccc1)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)NC[C@@H]2Cc3cc(Oc4ccccc4)ccc3O2)cc1 CCOc1ccc(cc1)[*:1] O=C(NC[C@@H]1Cc2cc(ccc2O1)Oc1ccccc1)[*:1]
Cn1ncnc1NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 Cn1ncnc1[*:1] O=C(N[*:1])N1CC[C@@H](C1)Oc1cccc(Cl)c1
Cn1ncnc1NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] Cn1ncnc1NC(=O)N1CC[C@@H](C1)O[*:1]
CC(C)(C)OC(=O)N/N=C1/C[C@@H]2CC[C@@]1(C)C2(C)C CC(C)(C)[*:1] CC1(C)[C@H]2CC[C@]1(C)/C(C2)=N\NC(=O)O[*:1]
C=CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C=CCN(Cc1nc(no1)-c1ccccc1)S(=O)(=O)[*:1]
C=CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(Br)cc1 c1ccc(cc1)[*:1] C=CCN(Cc1nc(no1)[*:1])S(=O)(=O)c1ccc(Br)cc1
C=CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(Br)cc1 C=CC[*:1] O=S(=O)(c1ccc(Br)cc1)N(Cc1nc(no1)-c1ccccc1)[*:1]
CN(C(=O)NCc1ccc(Cl)nc1)[C@H]1CCN(c2ccccc2)C1=O Clc1ccc(cn1)C[*:1] CN(C(=O)N[*:1])[C@H]1CCN(C1=O)c1ccccc1
CN(C(=O)NCc1ccc(Cl)nc1)[C@H]1CCN(c2ccccc2)C1=O Clc1ccc(cn1)[*:1] CN(C(=O)NC[*:1])[C@H]1CCN(C1=O)c1ccccc1
CN(C(=O)NCc1ccc(Cl)nc1)[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(C(=O)NCc1ccc(Cl)nc1)[C@H]1CCN(C1=O)[*:1]
COCCNC(=O)NC[C@@H](OC)c1cccc(Cl)c1 COC[*:1] CO[C@H](CNC(=O)NC[*:1])c1cccc(Cl)c1
COCCNC(=O)NC[C@@H](OC)c1cccc(Cl)c1 COCC[*:1] CO[C@H](CNC(=O)N[*:1])c1cccc(Cl)c1
Cc1cc(C(=O)N[C@H](C)c2ccccc2C)c2cnn(C(C)C)c2n1 CC(C)[*:1] Cc1cc(C(=O)N[C@H](C)c2ccccc2C)c2cnn(c2n1)[*:1]
Cc1cc(C(=O)N[C@H](C)c2ccccc2C)c2cnn(C(C)C)c2n1 Cc1ccccc1[*:1] Cc1cc(C(=O)N[C@H](C)[*:1])c2cnn(c2n1)C(C)C
CC(C)(C)c1ccc(NC(=O)C[S@@](=O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)C[S@@](=O)[*:1]
CC(C)(C)c1ccc(NC(=O)C[S@@](=O)c2cccc(F)c2)cc1 CC(C)(C)[*:1] O=C(C[S@@](=O)c1cccc(F)c1)Nc1ccc(cc1)[*:1]
N#Cc1ccsc1NC(=O)COC(=O)/C=C/c1cccc(F)c1 Fc1cccc(c1)[*:1] N#Cc1ccsc1NC(=O)COC(=O)C=C[*:1]
N#Cc1ccsc1NC(=O)COC(=O)/C=C/c1cccc(F)c1 N#Cc1ccsc1[*:1] O=C(COC(=O)/C=C/c1cccc(F)c1)N[*:1]
[NH3+]Cc1ccc(-c2ccc(OCC(F)(F)F)cc2)cc1 FC(F)(F)CO[*:1] [NH3+]Cc1ccc(cc1)-c1ccc(cc1)[*:1]
[NH3+]Cc1ccc(-c2ccc(OCC(F)(F)F)cc2)cc1 FC(F)(F)C[*:1] [NH3+]Cc1ccc(cc1)-c1ccc(cc1)O[*:1]
[NH3+]Cc1ccc(-c2ccc(OCC(F)(F)F)cc2)cc1 FC(F)(F)[*:1] [NH3+]Cc1ccc(cc1)-c1ccc(cc1)OC[*:1]
C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCSC(C)(C)C1 FC(F)(F)C[*:1] C[C@@H](C(=O)NC(=O)N[*:1])N1CCSC(C)(C)C1
C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCSC(C)(C)C1 FC(F)(F)[*:1] C[C@@H](C(=O)NC(=O)NC[*:1])N1CCSC(C)(C)C1
Cc1ccn(-c2ccc(N3CCN(C(=O)CC(C)C)CC3)nn2)n1 Cc1ccn(n1)[*:1] CC(C)CC(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1ccn(-c2ccc(N3CCN(C(=O)CC(C)C)CC3)nn2)n1 CC(C)[*:1] Cc1ccn(n1)-c1ccc(nn1)N1CCN(CC1)C(=O)C[*:1]
Cc1ccn(-c2ccc(N3CCN(C(=O)CC(C)C)CC3)nn2)n1 CC(C)C[*:1] Cc1ccn(n1)-c1ccc(nn1)N1CCN(CC1)C(=O)[*:1]
CC[C@@H](NC(=O)c1cnn(-c2ccncc2)c1C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1cnn(-c2ccncc2)c1C)[*:1]
CC[C@@H](NC(=O)c1cnn(-c2ccncc2)c1C)c1ccc(C)cc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)c1cnn(c1C)[*:1])c1ccc(C)cc1
CCC[NH2+][C@H](COC(C)C)c1cc(F)ccc1C CC(C)[*:1] CCC[NH2+][C@H](CO[*:1])c1cc(F)ccc1C
CCC[NH2+][C@H](COC(C)C)c1cc(F)ccc1C CC(C)O[*:1] CCC[NH2+][C@H](C[*:1])c1cc(F)ccc1C
CCC[NH2+][C@H](COC(C)C)c1cc(F)ccc1C CC(C)OC[*:1] CCC[NH2+][C@H](c1cc(F)ccc1C)[*:1]
CCC[NH2+][C@H](COC(C)C)c1cc(F)ccc1C CCC[*:1] Cc1ccc(F)cc1[C@@H](COC(C)C)[NH2+][*:1]
CCOc1ccccc1C(=O)N1CC[C@H](C)Sc2ccccc21 CCO[*:1] C[C@H]1CCN(C(=O)c2ccccc2[*:1])c2ccccc2S1
CCCS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C[*:1]
CCCS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCCS(=O)(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCCS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 CCC[*:1] O=S(=O)(Cc1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
CCn1ccc(C(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@]3(CCCCC(=O)N3)C2)n1 Fc1cc(F)cc(c1)[*:1] CCn1ccc(n1)C(=O)N1C[C@@H]([C@@]2(CCCCC(=O)N2)C1)[*:1]
CCn1ccc(C(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@]3(CCCCC(=O)N3)C2)n1 CCn1ccc(n1)[*:1] O=C1CCCC[C@]2(CN(C[C@H]2c2cc(F)cc(F)c2)C(=O)[*:1])N1
CC[NH+](Cc1cc(C)n(Cc2ccco2)c1C)CC(C)(C)O c1coc(c1)[*:1] CC[NH+](Cc1cc(C)n(C[*:1])c1C)CC(C)(C)O
CC[NH+](Cc1cc(C)n(Cc2ccco2)c1C)CC(C)(C)O CC(C)(O)[*:1] CC[NH+](Cc1cc(C)n(Cc2ccco2)c1C)C[*:1]
CC[NH+](Cc1cc(C)n(Cc2ccco2)c1C)CC(C)(C)O c1coc(c1)C[*:1] CC[NH+](Cc1cc(C)n(c1C)[*:1])CC(C)(C)O
CC[NH+](Cc1cc(C)n(Cc2ccco2)c1C)CC(C)(C)O CC(C)(O)C[*:1] CC[NH+](Cc1cc(C)n(Cc2ccco2)c1C)[*:1]
Cc1csc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)n1 Cc1csc(n1)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)N1CCCC[C@H]1C
C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(C#N)c(F)c2)cc1 CCN(CC)C(=O)[*:1] N#Cc1ccc(cc1F)OCC(=O)Nc1ccc(cc1)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(C#N)c(F)c2)cc1 N#Cc1ccc(cc1F)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)CO[*:1]
Cc1sc2nc(CN3CCC[C@@H](C(=O)NCC4CC4)C3)nc(N)c2c1C C1CC1C[*:1] Cc1sc2nc(CN3CCC[C@H](C3)C(=O)N[*:1])nc(N)c2c1C
Cc1sc2nc(CN3CCC[C@@H](C(=O)NCC4CC4)C3)nc(N)c2c1C C1CC1[*:1] Cc1sc2nc(CN3CCC[C@H](C3)C(=O)NC[*:1])nc(N)c2c1C
Cc1sc2nc(CN3CCC[C@@H](C(=O)NCC4CC4)C3)nc(N)c2c1C O=C(NCC1CC1)[*:1] Cc1sc2nc(CN3CCC[C@@H](C3)[*:1])nc(N)c2c1C
CC1(C)CN(C(=O)c2ccc(-n3ccnn3)cc2)CCS1(=O)=O c1cn(nn1)[*:1] CC1(C)CN(CCS1(=O)=O)C(=O)c1ccc(cc1)[*:1]
Cc1c(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc(C#N)n1C C1C[C@@H](CO1)[*:1] Cc1c(cc(C#N)n1C)CN1CC[NH+](CC1)C[*:1]
CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3nc(CCCO)nn32)cc1 OCCC[*:1] CCOc1ccc(cc1)[C@H]1CC(=Nc2nc(nn21)[*:1])c1ccc(F)cc1
CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3nc(CCCO)nn32)cc1 CCOc1ccc(cc1)[*:1] OCCCc1nc2N=C(C[C@@H](n2n1)[*:1])c1ccc(F)cc1
CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3nc(CCCO)nn32)cc1 CCO[*:1] OCCCc1nc2N=C(C[C@H](c3ccc(cc3)[*:1])n2n1)c1ccc(F)cc1
CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3nc(CCCO)nn32)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1CC(=Nc2nc(CCCO)nn21)[*:1]
CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3nc(CCCO)nn32)cc1 OCC[*:1] CCOc1ccc(cc1)[C@H]1CC(=Nc2nc(C[*:1])nn21)c1ccc(F)cc1
Cc1nc(C(=O)NCC2(c3ccc(F)cc3F)CC2)ccc1C#N Fc1ccc(c(F)c1)[*:1] Cc1nc(ccc1C#N)C(=O)NCC1(CC1)[*:1]
Cc1ccc(NC(=O)N(CCC#N)CC2CC2)c(Cl)c1 C1CC1[*:1] Cc1ccc(NC(=O)N(CCC#N)C[*:1])c(Cl)c1
Cc1ccc(NC(=O)N(CCC#N)CC2CC2)c(Cl)c1 C1CC1C[*:1] Cc1ccc(NC(=O)N(CCC#N)[*:1])c(Cl)c1
Cc1ccc(NC(=O)N(CCC#N)CC2CC2)c(Cl)c1 N#CCC[*:1] Cc1ccc(NC(=O)N(CC2CC2)[*:1])c(Cl)c1
Cc1ccc(NC(=O)N(CCC#N)CC2CC2)c(Cl)c1 N#CC[*:1] Cc1ccc(NC(=O)N(CC2CC2)C[*:1])c(Cl)c1
O=C(OCc1ccccn1)c1ccc(COc2ccccc2Cl)o1 Clc1ccccc1[*:1] O=C(OCc1ccccn1)c1ccc(CO[*:1])o1
O=C(OCc1ccccn1)c1ccc(COc2ccccc2Cl)o1 c1ccc(nc1)[*:1] O=C(OC[*:1])c1ccc(COc2ccccc2Cl)o1
O=C(OCc1ccccn1)c1ccc(COc2ccccc2Cl)o1 Clc1ccccc1O[*:1] O=C(OCc1ccccn1)c1ccc(C[*:1])o1
O=C(OCc1ccccn1)c1ccc(COc2ccccc2Cl)o1 c1ccc(C[*:1])nc1 O=C(O[*:1])c1ccc(COc2ccccc2Cl)o1
Cc1n[nH]c([C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CCO2)n1 Cc1n[nH]c(n1)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)N1CCO[C@@H](C1)[*:1]
N#Cc1c(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cn2ccccc12 Clc1ccc(Cl)c(c1)[*:1] N#Cc1c(cn2ccccc12)CN1CCN(CC1)S(=O)(=O)[*:1]
O=C(C[NH+]1CCN(C(=O)c2ccco2)CC1)Nc1c2c(nc3ccccc13)CCC2 c1coc(c1)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)[*:1])Nc1c2CCCc2nc2ccccc12
Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)s1 Cc1ccc(s1)[*:1] O=C1SC(=C[*:1])C(=O)N1Cc1ccc(Cl)c(Cl)c1
C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CCC[NH2+][C@H]1C C1CN(CCO1)[*:1] C[C@@H](C[*:1])NC(=O)[C@@H]1CCC[NH2+][C@H]1C
CC(C)(C)N1C[C@H](C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1=O O=C(N1CCCCCC1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
CC(C)(C)N1C[C@H](C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1=O CC(C)(C)[*:1] O=C(C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1])N1CCCCCC1
O=C(c1cn(Cc2ccccc2)nn1)N1CCc2ccc([N+](=O)[O-])cc2C1 c1ccc(cc1)[*:1] O=C(c1cn(C[*:1])nn1)N1CCc2ccc(cc2C1)[N+](=O)[O-]
O=C(c1cn(Cc2ccccc2)nn1)N1CCc2ccc([N+](=O)[O-])cc2C1 c1ccc(cc1)C[*:1] O=C(c1cn(nn1)[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
O=C(c1cn(Cc2ccccc2)nn1)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] O=C(c1cn(Cc2ccccc2)nn1)N1CCc2ccc(cc2C1)[*:1]
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nc1 O=C([O-])[*:1] Cc1ccc(nc1)[N-]S(=O)(=O)c1cc(ccc1Cl)[*:1]
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nc1 Cc1ccc(nc1)[*:1] O=C([O-])c1ccc(Cl)c(c1)S(=O)(=O)[N-][*:1]
CC[NH+](CC)CCNc1ncnc2c1sc1[nH+]c(N3CCCC3)c3c(c12)CC(C)(C)OC3 C1CCN(C1)[*:1] CC[NH+](CC)CCNc1ncnc2c1sc1[nH+]c(c3COC(C)(C)Cc3c12)[*:1]
C[n+]1cc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)on1 c1ccc(cc1)[*:1] C[n+]1cc(NC(=O)CSc2nc(c([nH]2)-c2ccccc2)[*:1])on1
O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1CC(c2ccc(Cl)s2)=NO1 Clc1ccc(s1)[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1CC(=NO1)[*:1]
Cc1n[nH]c([O-])c1CCC(=O)N/N=C/c1ccccc1 c1ccc(cc1)[*:1] Cc1n[nH]c([O-])c1CCC(=O)NN=C[*:1]
CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 CCOC(=O)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C([C@@H]2c1cccs1)[*:1])c1ccccc1
CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(N)N(C2CC(C)(C)CC(=O)C=2[C@H]1c1cccs1)[*:1]
CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 c1csc(c1)[*:1] CCOC(=O)C1=C(N)N(C2CC(C)(C)CC(=O)C=2[C@@H]1[*:1])c1ccccc1
CCC[C@@H](Cl)CCCc1ccc(O)cc1 CCC[*:1] Oc1ccc(cc1)CCC[C@H](Cl)[*:1]
CCC[C@@H](Cl)CCCc1ccc(O)cc1 CCC[C@@H](Cl)[*:1] Oc1ccc(cc1)CCC[*:1]
O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ncc([N+](=O)[O-])s1 Fc1ccccc1[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ncc(s1)[N+](=O)[O-]
O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ncc([N+](=O)[O-])s1 O=[N+]([O-])c1cnc(s1)[*:1] O=C(CSc1nnc(o1)-c1ccccc1F)N[*:1]
O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ncc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(CSc1nnc(o1)-c1ccccc1F)Nc1ncc(s1)[*:1]
COC(=O)c1ccccc1C(=O)Nc1cccc(Cl)c1C COC(=O)[*:1] Cc1c(Cl)cccc1NC(=O)c1ccccc1[*:1]
CCCCCN(C(=O)NC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCCCCN(C(=O)NC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)[*:1]
CCCCCN(C(=O)NC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1 CCCC[*:1] Cc1cc(C)c(NC(=O)NC(=O)N(C[*:1])S(=O)(=O)c2ccccc2)c(C)c1
CCCCCN(C(=O)NC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1 CCCCC[*:1] Cc1cc(C)c(NC(=O)NC(=O)N(S(=O)(=O)c2ccccc2)[*:1])c(C)c1
CCCCCN(C(=O)NC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1 CCC[*:1] Cc1cc(C)c(NC(=O)NC(=O)N(CC[*:1])S(=O)(=O)c2ccccc2)c(C)c1
CCCCCN(C(=O)NC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1 Cc1cc(C)c(c(C)c1)[*:1] CCCCCN(C(=O)NC(=O)N[*:1])S(=O)(=O)c1ccccc1
O=C(C[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 O=C([O-])[*:1] O=C(C[C@H]1CC[C@@H](C1)[*:1])c1ccc(Cl)cc1
CCC1(CNC(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)CC1 CCC1(CC1)[*:1] C[S@@](=O)Cc1cc(ccc1Cl)NC(=O)C(=O)NC[*:1]
CCC1(CNC(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)CC1 CCC1(CC1)C[*:1] C[S@@](=O)Cc1cc(ccc1Cl)NC(=O)C(=O)N[*:1]
Cc1cccn2cc(-c3ccc(NC(=O)C(=O)NCc4cccs4)cc3)nc12 c1csc(c1)[*:1] Cc1cccn2cc(nc12)-c1ccc(cc1)NC(=O)C(=O)NC[*:1]
Cc1cccn2cc(-c3ccc(NC(=O)C(=O)NCc4cccs4)cc3)nc12 c1csc(c1)C[*:1] Cc1cccn2cc(nc12)-c1ccc(cc1)NC(=O)C(=O)N[*:1]
C=CCN1C(SCc2nc3ccccc3[nH]2)=NN[C@@H]1c1cccc(C)c1 Cc1cccc(c1)[*:1] C=CCN1C(=NN[C@H]1[*:1])SCc1nc2ccccc2[nH]1
C=CCN1C(SCc2nc3ccccc3[nH]2)=NN[C@@H]1c1cccc(C)c1 C=CC[*:1] Cc1cccc(c1)[C@H]1NN=C(SCc2nc3ccccc3[nH]2)N1[*:1]
CC(C)(C)N1C[C@@H](C(=O)N2CCC(C(=O)N(CC#N)CC#N)CC2)CC1=O N#CC[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)N(CC#N)[*:1]
CC(C)(C)N1C[C@@H](C(=O)N2CCC(C(=O)N(CC#N)CC#N)CC2)CC1=O CC(C)(C)[*:1] N#CCN(CC#N)C(=O)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)(C)N1C[C@@H](C(=O)N2CCC(C(=O)N(CC#N)CC#N)CC2)CC1=O N#CCN(CC#N)C(=O)[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
CC[C@H](C#N)N1CCN(C(=O)N2CCCCC2)CC1 CC[C@H](C#N)[*:1] O=C(N1CCCCC1)N1CCN(CC1)[*:1]
CCC[NH2+][C@H](COC(C)C)c1cc(F)ccc1F CC(C)[*:1] CCC[NH2+][C@H](CO[*:1])c1cc(F)ccc1F
CCC[NH2+][C@H](COC(C)C)c1cc(F)ccc1F CC(C)OC[*:1] CCC[NH2+][C@H](c1cc(F)ccc1F)[*:1]
CCC[NH2+][C@H](COC(C)C)c1cc(F)ccc1F CCC[*:1] CC(C)OC[C@@H]([NH2+][*:1])c1cc(F)ccc1F
CCC[NH2+][C@H](COC(C)C)c1cc(F)ccc1F CC(C)O[*:1] CCC[NH2+][C@H](C[*:1])c1cc(F)ccc1F
O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccs1 c1csc(c1)[*:1] O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(CC1)c1ccc(F)cc1)[*:1]
O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(CC1)[*:1])c1cccs1
O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccs1 c1cncc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCN(CC1)c1ccc(F)cc1)[*:1])c1cccs1
O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccs1 O=C(NC[*:1])c1cccs1 Fc1ccc(cc1)N1CC[NH+](CC1)[C@H](c1cccnc1)[*:1]
O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccs1 O=C(N[*:1])c1cccs1 Fc1ccc(cc1)N1CC[NH+](CC1)[C@@H](C[*:1])c1cccnc1
C[C@@H](CC(=O)Nc1ccc(=O)n(C)c1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)Nc1ccc(=O)n(C)c1)C[*:1]
Cn1cc([C@H](O)CNC(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)cn1 Cn1cc(cn1)[*:1] O=C(NC[C@@H](O)[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
Cn1cc([C@H](O)CNC(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)cn1 Cn1cc(cn1)[C@H](O)[*:1] O=C(NC[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
C[C@@H]1SCCC[C@]1(CC(=O)[O-])C(C)(C)[NH3+] CC(C)([NH3+])[*:1] C[C@@H]1SCCC[C@@]1(CC(=O)[O-])[*:1]
C[C@@H]1SCCC[C@]1(CC(=O)[O-])C(C)(C)[NH3+] O=C([O-])[*:1] C[C@@H]1SCCC[C@]1(C[*:1])C(C)(C)[NH3+]
C[C@@H]1SCCC[C@]1(CC(=O)[O-])C(C)(C)[NH3+] O=C([O-])C[*:1] C[C@@H]1SCCC[C@@]1(C(C)(C)[NH3+])[*:1]
Cc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N1CCN(CC1)Cc1nnc2CCCCCn21)[*:1]
CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(CC)ccc2O)cc1 CCC[*:1] CCc1ccc(O)c(c1)NC(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)CCc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)CC[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)CCc2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)CCc2ccc3OCOc3c2)n(n1)[*:1]
CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(-n3cccc3)cc2)CC1 c1ccn(c1)[*:1] CC(C)[NH+]1CCC(CC1)N(C)C(=O)c1ccc(cc1)[*:1]
CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(-n3cccc3)cc2)CC1 CC(C)[*:1] CN(C(=O)c1ccc(cc1)-n1cccc1)C1CC[NH+](CC1)[*:1]
C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](O)C1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](O)C1)C[*:1]
C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](O)C1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](O)C1)[*:1]
CN1CCO[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 O=[N+]([O-])[*:1] CN1CCO[C@@H]2CN(C/C=C/c3ccccc3[*:1])C[C@@H]21
CC(C)(C)OCc1ccc(NC(=O)C2CCC(C(N)=O)CC2)cc1 NC(=O)[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)C1CCC(CC1)[*:1]
CC(C)(C)OCc1ccc(NC(=O)C2CCC(C(N)=O)CC2)cc1 CC(C)(C)O[*:1] NC(=O)C1CCC(CC1)C(=O)Nc1ccc(cc1)C[*:1]
CC(C)(C)OCc1ccc(NC(=O)C2CCC(C(N)=O)CC2)cc1 CC(C)(C)OC[*:1] NC(=O)C1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)OCc1ccc(NC(=O)C2CCC(C(N)=O)CC2)cc1 CC(C)(C)[*:1] NC(=O)C1CCC(CC1)C(=O)Nc1ccc(cc1)CO[*:1]
CCn1c(C(=O)NCc2ccc(Cl)cc2)cc2sccc21 Clc1ccc(cc1)[*:1] CCn1c(cc2sccc21)C(=O)NC[*:1]
CC(=O)Nc1ccc(SCc2nc3ccsc3c(=O)[nH]2)cc1 CC(=O)N[*:1] O=c1[nH]c(CSc2ccc(cc2)[*:1])nc2ccsc12
N#Cc1c(-c2ccc(C#CCO)s2)cc(-c2cc[nH]c2)nc1N c1cc(c[nH]1)[*:1] N#Cc1c(cc(nc1N)[*:1])-c1ccc(C#CCO)s1
N#Cc1c(-c2ccc(C#CCO)s2)cc(-c2cc[nH]c2)nc1N OCC#C[*:1] N#Cc1c(cc(nc1N)-c1cc[nH]c1)-c1ccc(s1)[*:1]
Fc1ccc([C@H](CC(F)(F)F)[NH2+]Cc2ccc(-c3cccnc3)o2)cc1 FC(F)(F)[*:1] Fc1ccc(cc1)[C@H](C[*:1])[NH2+]Cc1ccc(o1)-c1cccnc1
Fc1ccc([C@H](CC(F)(F)F)[NH2+]Cc2ccc(-c3cccnc3)o2)cc1 FC(F)(F)C[*:1] Fc1ccc(cc1)[C@H]([NH2+]Cc1ccc(o1)-c1cccnc1)[*:1]
Fc1ccc([C@H](CC(F)(F)F)[NH2+]Cc2ccc(-c3cccnc3)o2)cc1 c1cncc(c1)[*:1] Fc1ccc(cc1)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(o1)[*:1]
Fc1ccc([C@H](CC(F)(F)F)[NH2+]Cc2ccc(-c3cccnc3)o2)cc1 Fc1ccc(cc1)[*:1] FC(F)(F)C[C@H]([NH2+]Cc1ccc(o1)-c1cccnc1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2cccs2)c(Cl)c1 c1csc(c1)[*:1] Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[*:1])c(Cl)c1
Cc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2cccs2)c(Cl)c1 c1csc(c1)C[*:1] Cc1ccc(NC(=O)C(=O)N[C@@H](C)[*:1])c(Cl)c1
Cc1cccc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CS[*:1])N1CCN(CC1)C(=O)c1ccco1
Cc1cccc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 Cc1cccc(c1)S[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccco1
Cc1cccc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 c1coc(c1)[*:1] Cc1cccc(c1)SCC(=O)N1CCN(CC1)C(=O)[*:1]
CC[C@](C)([C@H](O)C(C)(C)C)[NH+]1CCCCC1 CC(C)(C)[*:1] CC[C@](C)([C@H](O)[*:1])[NH+]1CCCCC1
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3(c4cc(-c5ccco5)on4)CC3)cc2)nc(C)n1 c1coc(c1)[*:1] Cc1cc(nc(C)n1)[N-]S(=O)(=O)c1ccc(cc1)NC(=O)C1(CC1)c1cc(on1)[*:1]
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3(c4cc(-c5ccco5)on4)CC3)cc2)nc(C)n1 c1coc(c1)-c1cc(no1)[*:1] Cc1cc(nc(C)n1)[N-]S(=O)(=O)c1ccc(cc1)NC(=O)C1(CC1)[*:1]
C=CCNS(=O)(=O)Cc1ccc(NC(=O)C2CCOCC2)cc1 C=CCNS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])C1CCOCC1
C=CCNS(=O)(=O)Cc1ccc(NC(=O)C2CCOCC2)cc1 C=CC[*:1] O=C(Nc1ccc(cc1)CS(=O)(=O)N[*:1])C1CCOCC1
C=CCNS(=O)(=O)Cc1ccc(NC(=O)C2CCOCC2)cc1 C1CC(CCO1)[*:1] C=CCNS(=O)(=O)Cc1ccc(cc1)NC(=O)[*:1]
C[C@H](NC(=O)N1CCCN(c2ncccc2C#N)CC1)C(C)(C)C[NH+](C)C N#Cc1cccnc1[*:1] C[C@H](NC(=O)N1CCCN(CC1)[*:1])C(C)(C)C[NH+](C)C
C[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 c1ccc(cc1)[*:1] C[C@H](Sc1nc2cc(Cl)ccc2n1C[*:1])C(=O)N1CCC(CC1)C(N)=O
C[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 c1ccc(cc1)C[*:1] C[C@H](Sc1nc2cc(Cl)ccc2n1[*:1])C(=O)N1CCC(CC1)C(N)=O
C[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] C[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)N1CCC(CC1)[*:1]
C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@H]1C Clc1cccc(c1)[*:1] C[C@@H](Sc1nncn1[*:1])C(=O)N[C@H]1CCCC[C@H]1C
C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@@H]1[*:1] C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)N[*:1]
Cc1cc(CC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)no1 c1cc(ccn1)[*:1] Cc1cc(CC(=O)NCc2ccc(cc2)NC(=O)[*:1])no1
Cc1cc(CC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)no1 Cc1cc(C[*:1])no1 O=C(Nc1ccc(cc1)CNC(=O)[*:1])c1ccncc1
Cc1cc(CC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)no1 Cc1cc(no1)[*:1] O=C(C[*:1])NCc1ccc(cc1)NC(=O)c1ccncc1
COc1nc(C)c(C(=O)N2CCC3=C(C2)[C@H](C2CCCC2)N=N3)s1 C1CCC(C1)[*:1] COc1nc(C)c(s1)C(=O)N1CCC2N=N[C@@H](C=2C1)[*:1]
COc1nc(C)c(C(=O)N2CCC3=C(C2)[C@H](C2CCCC2)N=N3)s1 COc1nc(C)c(s1)[*:1] O=C(N1CCC2N=N[C@H](C=2C1)C1CCCC1)[*:1]
Cc1nc2cc(NC(=O)C(=O)N[C@H](C)c3ccc(F)cc3F)ccc2o1 Fc1ccc(c(F)c1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@H](C)[*:1]
Cc1cccc(NNC(=O)c2cccc(N3CCCNC3=O)c2)c1 O=C1NCCCN1[*:1] Cc1cccc(c1)NNC(=O)c1cccc(c1)[*:1]
Cc1cccc(NNC(=O)c2cccc(N3CCCNC3=O)c2)c1 Cc1cccc(c1)[*:1] O=C(NN[*:1])c1cccc(c1)N1CCCNC1=O
Cn1c(-c2ccco2)nn(C[NH+](C)CCc2ccccc2)c1=S c1coc(c1)[*:1] Cn1c(nn(C[NH+](C)CCc2ccccc2)c1=S)[*:1]
Cn1c(-c2ccco2)nn(C[NH+](C)CCc2ccccc2)c1=S c1ccc(cc1)C[*:1] Cn1c(nn(C[NH+](C)C[*:1])c1=S)-c1ccco1
Cn1c(-c2ccco2)nn(C[NH+](C)CCc2ccccc2)c1=S c1ccc(cc1)[*:1] Cn1c(nn(C[NH+](C)CC[*:1])c1=S)-c1ccco1
C=CCn1c(=O)n(CC=C)c(=O)n(CCN2C(=O)C=CC2=O)c1=O C=CC[*:1] C=CCn1c(=O)n(CCN2C(=O)C=CC2=O)c(=O)n(c1=O)[*:1]
COc1cc([C@H](C)CC(C)=O)ccc1Cl CC(=O)C[*:1] COc1cc(ccc1Cl)[C@H](C)[*:1]
COc1cc([C@H](C)CC(C)=O)ccc1Cl CC(=O)[*:1] COc1cc(ccc1Cl)[C@H](C)C[*:1]
C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCO[C@H](C1)[*:1]
Cn1nc([C@H]2CCCN(C(=O)CSc3ncccn3)C2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)CSc2ncccn2)n(c1=O)[*:1]
Cn1nc([C@H]2CCCN(C(=O)CSc3ncccn3)C2)n(-c2ccccc2)c1=O c1cnc(nc1)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)CS[*:1])n(-c2ccccc2)c1=O
Cn1nc([C@H]2CCCN(C(=O)CSc3ncccn3)C2)n(-c2ccccc2)c1=O c1cnc(nc1)S[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)C[*:1])n(-c2ccccc2)c1=O
Cn1nc([C@H]2CCCN(C(=O)CSc3ncccn3)C2)n(-c2ccccc2)c1=O c1cnc(nc1)SC[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)[*:1])n(-c2ccccc2)c1=O
CCOC(=O)[C@@H](C#N)c1c(F)c(F)c(Br)c(F)c1F CCOC(=O)[*:1] N#C[C@@H](c1c(F)c(F)c(Br)c(F)c1F)[*:1]
O=C(NCCCN1C(=O)CCC1=O)NCC1(c2ccccc2F)CC1 O=C1CCC(=O)N1[*:1] O=C(NCCC[*:1])NCC1(CC1)c1ccccc1F
O=C(NCCCN1C(=O)CCC1=O)NCC1(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(NCCCN1C(=O)CCC1=O)NCC1(CC1)[*:1]
O=C(NCCCN1C(=O)CCC1=O)NCC1(c2ccccc2F)CC1 O=C1CCC(=O)N1C[*:1] O=C(NCC[*:1])NCC1(CC1)c1ccccc1F
Cc1noc(C)c1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1noc(C)c1CCCNC(=O)Cc1ccc(cc1)[*:1]
Cc1noc(C)c1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 Cc1noc(C)c1[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])NCCC[*:1]
CCC[C@H]1C[NH2+]CC[C@H]1c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)[C@@H]1CC[NH2+]C[C@@H]1[*:1]
O=C(Cn1cnc2ccccc2c1=O)Nc1cc(Cl)ccc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1cc(Cl)ccc1[*:1]
CC(C)(C)c1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)[nH]n1 CC(C)(C)[*:1] N#C[C@@H](C(=O)c1cc(n[nH]1)[*:1])c1nc2cc(Cl)ccc2s1
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCCn1cccn1 c1cnn(c1)[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCC[*:1]
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCCn1cccn1 c1cnn(c1)CC[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)NC[*:1]
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCCn1cccn1 c1cnn(c1)C[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCC[*:1]
C[C@@H](CNc1ncccc1S(N)(=O)=O)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNc1ncccc1S(N)(=O)=O)[*:1]
C[C@@H](CNc1ncccc1S(N)(=O)=O)c1ccsc1 NS(=O)(=O)[*:1] C[C@@H](CNc1ncccc1[*:1])c1ccsc1
CC1=N[C@@H](C(=O)N2CCC(CC(=O)NCc3ccco3)CC2)C(C)=C1C c1coc(c1)[*:1] CC1=N[C@@H](C(=O)N2CCC(CC2)CC(=O)NC[*:1])C(C)=C1C
CC1=N[C@@H](C(=O)N2CCC(CC(=O)NCc3ccco3)CC2)C(C)=C1C c1coc(c1)C[*:1] CC1=N[C@@H](C(=O)N2CCC(CC2)CC(=O)N[*:1])C(C)=C1C
C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)S[*:1] C[C@H]1C[C@H](C)CN(C1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CC[*:1]
C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] C[C@H]1C[C@H](C)CN(C1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCS[*:1]
COc1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)Cn1nnc(n1)-c1ccccc1
COc1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)Cn1nnc(n1)[*:1]
Cc1cccc(CN(CC(=O)N2[C@H](C)CCC[C@H]2C)Cc2cccc(C)n2)n1 Cc1cccc(C[*:1])n1 Cc1cccc(CN(CC(=O)N2[C@H](C)CCC[C@H]2C)[*:1])n1
Cc1cccc(CN(CC(=O)N2[C@H](C)CCC[C@H]2C)Cc2cccc(C)n2)n1 Cc1cccc(n1)[*:1] Cc1cccc(CN(CC(=O)N2[C@H](C)CCC[C@H]2C)C[*:1])n1
Cn1cc(/C=C/C(=O)c2cc(F)cc(F)c2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(/C=C/C(=O)c2cc(F)cc(F)c2)c(n1)[*:1]
CC[C@@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)[*:1]
CC[C@@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)c1ccc(C)c(F)c1 C1CCC(C1)[*:1] CC[C@@H](NC(=O)C[C@H](C)NC(=O)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)c1ccc(C)c(F)c1 O=C(N[*:1])C1CCCC1 CC[C@@H](NC(=O)C[C@H](C)[*:1])c1ccc(C)c(F)c1
O=C(Cc1csc(-c2ccco2)n1)N1CCO[C@@H]2CCCC[C@@H]21 c1coc(c1)[*:1] O=C(Cc1csc(n1)[*:1])N1CCO[C@@H]2CCCC[C@@H]21
O=S(=O)(c1cccs1)N1CCC[C@@H](CO)C1 c1csc(c1)[*:1] O=S(=O)(N1CCC[C@@H](CO)C1)[*:1]
Cc1cccc(NC(=O)NC(=O)COc2ccccc2C=O)c1C Cc1cccc(c1C)[*:1] O=Cc1ccccc1OCC(=O)NC(=O)N[*:1]
Cc1cccc(NC(=O)NC(=O)COc2ccccc2C=O)c1C O=Cc1ccccc1[*:1] Cc1cccc(NC(=O)NC(=O)CO[*:1])c1C
COc1ccc(CNC(=O)Cc2csc(C)n2)cc1OC Cc1nc(cs1)C[*:1] COc1ccc(cc1OC)CNC(=O)[*:1]
COc1ccc(CNC(=O)Cc2csc(C)n2)cc1OC Cc1nc(cs1)[*:1] COc1ccc(cc1OC)CNC(=O)C[*:1]
CSc1ccc(Cl)c(C(=O)NC[C@@H](O)c2ccco2)c1 c1coc(c1)[*:1] CSc1ccc(Cl)c(c1)C(=O)NC[C@@H](O)[*:1]
C[C@H](CCCO)Nc1ccc2c(C(=O)[O-])cccc2[nH+]1 C[C@H](CCCO)[*:1] O=C([O-])c1cccc2[nH+]c(ccc12)N[*:1]
C[C@H](CCCO)Nc1ccc2c(C(=O)[O-])cccc2[nH+]1 OCCC[*:1] C[C@H](Nc1ccc2c(cccc2[nH+]1)C(=O)[O-])[*:1]
C[C@H](CCCO)Nc1ccc2c(C(=O)[O-])cccc2[nH+]1 O=C([O-])[*:1] C[C@H](CCCO)Nc1ccc2c(cccc2[nH+]1)[*:1]
C[C@H](CCCO)Nc1ccc2c(C(=O)[O-])cccc2[nH+]1 OCC[*:1] C[C@H](C[*:1])Nc1ccc2c(cccc2[nH+]1)C(=O)[O-]
C[C@@H](Cn1cccn1)NC(=O)NCCc1ccccn1 c1cnn(c1)[*:1] C[C@@H](C[*:1])NC(=O)NCCc1ccccn1
C[C@@H](Cn1cccn1)NC(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] C[C@@H](Cn1cccn1)NC(=O)NCC[*:1]
C[C@@H](Cn1cccn1)NC(=O)NCCc1ccccn1 c1cnn(c1)C[*:1] C[C@@H](NC(=O)NCCc1ccccn1)[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc(Br)c1OC Cc1cc(C)c(c(C)c1)[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])cc(Br)c1OC
CNC(=O)c1ccc(NC(=O)Nc2cnn(CC(C)C)c2)c(Cl)c1 CC(C)C[*:1] CNC(=O)c1ccc(NC(=O)Nc2cnn(c2)[*:1])c(Cl)c1
CNC(=O)c1ccc(NC(=O)Nc2cnn(CC(C)C)c2)c(Cl)c1 CNC(=O)[*:1] CC(C)Cn1cc(cn1)NC(=O)Nc1ccc(cc1Cl)[*:1]
CNC(=O)c1ccc(NC(=O)Nc2cnn(CC(C)C)c2)c(Cl)c1 CC(C)[*:1] CNC(=O)c1ccc(NC(=O)Nc2cnn(c2)C[*:1])c(Cl)c1
C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)n1cnc2ccccc2c1=O FC(F)(F)O[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])n1cnc2ccccc2c1=O
C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)n1cnc2ccccc2c1=O FC(F)(F)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)O[*:1])n1cnc2ccccc2c1=O
C/C=C(\C=C\C(=O)N[C@@H](COC)C(N)=O)CC CC=C(CC)[*:1] COC[C@H](NC(=O)C=C[*:1])C(N)=O
C/C=C(\C=C\C(=O)N[C@@H](COC)C(N)=O)CC COC[*:1] C/C=C(\C=C\C(=O)N[C@@H](C(N)=O)[*:1])CC
C/C=C(\C=C\C(=O)N[C@@H](COC)C(N)=O)CC NC(=O)[*:1] C/C=C(\C=C\C(=O)N[C@@H](COC)[*:1])CC
Cc1ccc(C(=O)N(C)CCOc2ccccc2F)cn1 Fc1ccccc1[*:1] Cc1ccc(cn1)C(=O)N(C)CCO[*:1]
Cc1ccc(C(=O)N(C)CCOc2ccccc2F)cn1 Cc1ccc(cn1)[*:1] CN(CCOc1ccccc1F)C(=O)[*:1]
FC(F)COc1ncccc1C[NH2+][C@H]1CCOc2ccccc21 FC(F)CO[*:1] c1cnc(c(c1)C[NH2+][C@H]1CCOc2ccccc21)[*:1]
FC(F)COc1ncccc1C[NH2+][C@H]1CCOc2ccccc21 FC(F)[*:1] c1cnc(OC[*:1])c(c1)C[NH2+][C@H]1CCOc2ccccc21
FC(F)COc1ncccc1C[NH2+][C@H]1CCOc2ccccc21 FC(F)C[*:1] c1cnc(O[*:1])c(c1)C[NH2+][C@H]1CCOc2ccccc21
CCC(=O)N1C[C@H](C(=O)NCc2ccc(F)cc2)[C@H](c2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CCC(=O)N1C[C@H](C(=O)NCc2ccc(F)cc2)[C@H](C1)[*:1]
CCC(=O)N1C[C@H](C(=O)NCc2ccc(F)cc2)[C@H](c2ccc(OC)cc2)C1 Fc1ccc(cc1)[*:1] CCC(=O)N1C[C@H](C(=O)NC[*:1])[C@@H](C1)c1ccc(cc1)OC
CCC(=O)N1C[C@H](C(=O)NCc2ccc(F)cc2)[C@H](c2ccc(OC)cc2)C1 Fc1ccc(cc1)C[*:1] CCC(=O)N1C[C@H](C(=O)N[*:1])[C@@H](C1)c1ccc(cc1)OC
CCOc1ccc(C(=O)COc2ccc(C#N)cc2OC)cc1 CCO[*:1] COc1cc(C#N)ccc1OCC(=O)c1ccc(cc1)[*:1]
O=C(c1cc2ccccc2[nH]1)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=C(c1cc2ccccc2[nH]1)N1CCN(CC1)[*:1]
Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccnn3Cc3ccc(Cl)cc3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccnn1Cc1ccc(Cl)cc1
Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccnn3Cc3ccc(Cl)cc3)cc2)n1 Clc1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)CC(=O)Nc1ccnn1C[*:1]
Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccnn3Cc3ccc(Cl)cc3)cc2)n1 Clc1ccc(cc1)C[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)CC(=O)Nc1ccnn1[*:1]
CN(CCN1CCOCC1)C(=O)NCCc1nc(C(F)(F)F)cs1 C1CN(CCO1)CC[*:1] CN(C(=O)NCCc1nc(cs1)C(F)(F)F)[*:1]
CN(CCN1CCOCC1)C(=O)NCCc1nc(C(F)(F)F)cs1 C1CN(CCO1)[*:1] CN(CC[*:1])C(=O)NCCc1nc(cs1)C(F)(F)F
CN(CCN1CCOCC1)C(=O)NCCc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CN(CCN1CCOCC1)C(=O)NCCc1nc(cs1)[*:1]
CN(CCN1CCOCC1)C(=O)NCCc1nc(C(F)(F)F)cs1 C1CN(CCO1)C[*:1] CN(C[*:1])C(=O)NCCc1nc(cs1)C(F)(F)F
O=S(=O)(c1ccc(CNc2ncccn2)s1)N1CCOCC1 c1cnc(nc1)N[*:1] O=S(=O)(c1ccc(C[*:1])s1)N1CCOCC1
O=S(=O)(c1ccc(CNc2ncccn2)s1)N1CCOCC1 c1cnc(nc1)[*:1] O=S(=O)(c1ccc(CN[*:1])s1)N1CCOCC1
CC[C@H](C)NC(=O)c1cc(Br)ccc1OC(C)C CC(C)O[*:1] CC[C@H](C)NC(=O)c1cc(Br)ccc1[*:1]
CC[C@H](C)NC(=O)c1cc(Br)ccc1OC(C)C CC[C@H](C)[*:1] CC(C)Oc1ccc(Br)cc1C(=O)N[*:1]
CC[C@H](C)NC(=O)c1cc(Br)ccc1OC(C)C CC(C)[*:1] CC[C@H](C)NC(=O)c1cc(Br)ccc1O[*:1]
O=C([O-])CCCOc1ccc([N+](=O)[O-])cc1F O=C([O-])[*:1] O=[N+]([O-])c1ccc(OCCC[*:1])c(F)c1
O=C([O-])CCCOc1ccc([N+](=O)[O-])cc1F O=C([O-])CC[*:1] O=[N+]([O-])c1ccc(OC[*:1])c(F)c1
O=C([O-])CCCOc1ccc([N+](=O)[O-])cc1F O=C([O-])C[*:1] O=[N+]([O-])c1ccc(OCC[*:1])c(F)c1
O=C([O-])CCCOc1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] O=C([O-])CCCOc1ccc(cc1F)[*:1]
Cc1ccccc1OCCCC(=O)N[C@@H]1CCS(=O)(=O)C1 Cc1ccccc1[*:1] O=C(CCCO[*:1])N[C@@H]1CCS(=O)(=O)C1
COCCN1C[C@H](C(=O)NCc2ccncc2)CC1=O COC[*:1] O=C(NCc1ccncc1)[C@@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@H](C(=O)NCc2ccncc2)CC1=O c1cc(ccn1)[*:1] COCCN1C[C@@H](CC1=O)C(=O)NC[*:1]
COCCN1C[C@H](C(=O)NCc2ccncc2)CC1=O COCC[*:1] O=C(NCc1ccncc1)[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)CCn1c(=O)cc(C(F)F)c2cn(Cc3ccccc3)nc21 COC(=O)CC[*:1] O=c1cc(c2cn(Cc3ccccc3)nc2n1[*:1])C(F)F
COC(=O)CCn1c(=O)cc(C(F)F)c2cn(Cc3ccccc3)nc21 COC(=O)C[*:1] O=c1cc(c2cn(Cc3ccccc3)nc2n1C[*:1])C(F)F
COC(=O)CCn1c(=O)cc(C(F)F)c2cn(Cc3ccccc3)nc21 COC(=O)[*:1] O=c1cc(c2cn(Cc3ccccc3)nc2n1CC[*:1])C(F)F
COC(=O)CCn1c(=O)cc(C(F)F)c2cn(Cc3ccccc3)nc21 c1ccc(cc1)C[*:1] COC(=O)CCn1c(=O)cc(c2cn(nc21)[*:1])C(F)F
COC(=O)CCn1c(=O)cc(C(F)F)c2cn(Cc3ccccc3)nc21 FC(F)[*:1] COC(=O)CCn1c(=O)cc(c2cn(Cc3ccccc3)nc21)[*:1]
COC(=O)CCn1c(=O)cc(C(F)F)c2cn(Cc3ccccc3)nc21 c1ccc(cc1)[*:1] COC(=O)CCn1c(=O)cc(c2cn(C[*:1])nc21)C(F)F
COc1ccc(CNC(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CNC(=O)N1C[C@@H]2CCCC[C@]21[*:1]
O=C(Cc1ccc(F)cc1)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 c1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)NCCn1ncc2c(ncnc21)N1CCN(CC1)[*:1]
O=C(Cc1ccc(F)cc1)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 Fc1ccc(cc1)C[*:1] O=C(NCCn1ncc2c(ncnc21)N1CCN(CC1)c1ccccc1)[*:1]
O=C(Cc1ccc(F)cc1)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 O=C(Cc1ccc(F)cc1)N[*:1] c1ccc(cc1)N1CCN(CC1)c1ncnc2c1cnn2CC[*:1]
O=C(Cc1ccc(F)cc1)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 Fc1ccc(cc1)[*:1] O=C(C[*:1])NCCn1ncc2c(ncnc21)N1CCN(CC1)c1ccccc1
CNS(=O)(=O)[C@H]1CCOC[C@@H]1Cc1c(F)cccc1Cl CNS(=O)(=O)[*:1] Fc1cccc(Cl)c1C[C@H]1COCC[C@@H]1[*:1]
O=C(N[C@H](Nc1ccccc1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](Nc1ccccc1)[*:1])c1ccccc1
O=C(N[C@H](Nc1ccccc1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](Nc1ccccc1)c1ccccc1)[*:1]
O=C(N[C@H](Nc1ccccc1)c1ccccc1)c1ccccc1 c1ccc(cc1)N[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1ccccc1
O=C(N[C@H](Nc1ccccc1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](N[*:1])c1ccccc1)c1ccccc1
Cc1ccc(Cc2nc(C(=O)OCc3cc4ccccc4[nH]c3=O)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(OCc1cc2ccccc2[nH]c1=O)c1csc(C[*:1])n1
Cc1ccc(Cc2nc(C(=O)OCc3cc4ccccc4[nH]c3=O)cs2)cc1 Cc1ccc(cc1)C[*:1] O=C(OCc1cc2ccccc2[nH]c1=O)c1csc(n1)[*:1]
NC(=O)c1c(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)sc2c1CCCC2 NC(=O)[*:1] O=C(C[NH+]1CCC(CC1)c1nc2ccccc2s1)Nc1sc2CCCCc2c1[*:1]
NC(=O)c1c(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)sc2c1CCCC2 c1ccc2sc(nc2c1)[*:1] NC(=O)c1c(NC(=O)C[NH+]2CCC(CC2)[*:1])sc2CCCCc21
CCc1nnc(-c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)o1 CCc1nnc(o1)[*:1] O=C(Cn1cc(c2ccccc21)[*:1])Nc1ccc2OCOc2c1
CCc1nnc(-c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)o1 c1cc2OCOc2cc1[*:1] CCc1nnc(o1)-c1cn(CC(=O)N[*:1])c2ccccc12
COc1ccc(NC(=O)CCCNC(=O)c2cccs2)cn1 c1csc(c1)[*:1] COc1ccc(cn1)NC(=O)CCCNC(=O)[*:1]
Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2)cc1 Cc1ccc(cc1)C(=O)N[*:1] O=C(NC1CCCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2)cc1 O=C(NC1CCCCC1)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
O=C(NCCc1cccc(O)c1)NCC1(CN2CCOCC2)CCCCC1 Oc1cccc(c1)C[*:1] O=C(NCC1(CCCCC1)CN1CCOCC1)NC[*:1]
O=C(NCCc1cccc(O)c1)NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)C[*:1] O=C(NCCc1cccc(O)c1)NCC1(CCCCC1)[*:1]
O=C(NCCc1cccc(O)c1)NCC1(CN2CCOCC2)CCCCC1 Oc1cccc(c1)CC[*:1] O=C(NCC1(CCCCC1)CN1CCOCC1)N[*:1]
O=C(NCCc1cccc(O)c1)NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] O=C(NCCc1cccc(O)c1)NCC1(CCCCC1)C[*:1]
O=C(NCCc1cccc(O)c1)NCC1(CN2CCOCC2)CCCCC1 Oc1cccc(c1)[*:1] O=C(NCC[*:1])NCC1(CCCCC1)CN1CCOCC1
O=C(Nc1cc(F)ccc1F)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=C(Nc1cc(F)ccc1F)c1ccc(cc1)[*:1]
CCOc1ccc(C[NH+](C)Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)cc1 CCOc1ccc(cc1)[*:1] Cn1c(nn(C[NH+](C)C[*:1])c1=S)-c1ccc(Cl)cc1
CCOc1ccc(C[NH+](C)Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)cc1 CCO[*:1] Cn1c(nn(C[NH+](C)Cc2ccc(cc2)[*:1])c1=S)-c1ccc(Cl)cc1
CCOc1ccc(C[NH+](C)Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)C[NH+](C)Cn1nc(n(C)c1=S)[*:1]
CCOCC(=O)NNC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)[*:1] CCOCC(=O)NNC(=O)N[C@H]1CCCc2c1cnn2C[*:1]
CCOCC(=O)NNC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)C[*:1] CCOCC(=O)NNC(=O)N[C@H]1CCCc2c1cnn2[*:1]
CCOCC(=O)NNC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 CCO[*:1] O=C(C[*:1])NNC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1
CCOCC(=O)NNC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 CCOC[*:1] O=C(NNC(=O)[*:1])N[C@H]1CCCc2c1cnn2Cc1ccccc1
C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C[C@@H](C)NC(=O)c1ccc(c(c1)[*:1])-n1ccnc1
C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 c1cn(cn1)[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C[C@@H](C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C=C(C)CN(CC)C(=O)NCc1ccc(C[NH+](C)C)cc1 C=C(C)C[*:1] CCN(C(=O)NCc1ccc(cc1)C[NH+](C)C)[*:1]
C=C(C)CN(CC)C(=O)NCc1ccc(C[NH+](C)C)cc1 C=C(C)[*:1] CCN(C[*:1])C(=O)NCc1ccc(cc1)C[NH+](C)C
CCN1CCO[C@@H](COc2ccc(C(=O)[O-])cc2OC)C1 O=C([O-])[*:1] CCN1CCO[C@@H](COc2ccc(cc2OC)[*:1])C1
CCOc1ccccc1[C@@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@@H]1C#N CCO[*:1] N#C[C@H]1C(=O)Nc2nc([nH]c(=O)c2[C@H]1c1ccccc1[*:1])N1CCC2(CC1)OCCO2
CCOc1ccccc1[C@@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@@H]1C#N CCOc1ccccc1[*:1] N#C[C@H]1C(=O)Nc2nc([nH]c(=O)c2[C@H]1[*:1])N1CCC2(CC1)OCCO2
CC(C)C1CCC([NH+](C)CCn2cnnc2)CC1 c1nncn1[*:1] CC(C)C1CCC(CC1)[NH+](C)CC[*:1]
CC(C)C1CCC([NH+](C)CCn2cnnc2)CC1 CC(C)[*:1] C[NH+](CCn1cnnc1)C1CCC(CC1)[*:1]
CC(C)C1CCC([NH+](C)CCn2cnnc2)CC1 c1nncn1C[*:1] CC(C)C1CCC(CC1)[NH+](C)C[*:1]
CC(=O)c1cccc(NC(=O)c2c[nH]c3cc(Cl)ccc3c2=O)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1c[nH]c2cc(Cl)ccc2c1=O
CC(C)(C)[C@@H]([NH3+])Cc1nc([C@H]2C[NH+]3CCN2CC3)no1 CC(C)(C)[C@@H]([NH3+])[*:1] C1C[NH+]2CCN1[C@H](C2)c1noc(C[*:1])n1
CC(C)(C)[C@@H]([NH3+])Cc1nc([C@H]2C[NH+]3CCN2CC3)no1 CC(C)(C)[*:1] [NH3+][C@@H](Cc1nc(no1)[C@H]1C[NH+]2CCN1CC2)[*:1]
Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(Br)cc1 c1cnc2nc(oc2c1)[*:1] Cc1cc(ccc1NC(=S)NC(=O)c1ccc(Br)cc1)[*:1]
Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1cc(ccc1NC(=S)NC(=O)[*:1])-c1nc2ncccc2o1
O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(NC(=S)Nc1ccc(cc1)-c1ccc(CO)o1)[*:1]
O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(Cl)cc1Cl OCc1ccc(o1)[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1Cl
COc1cc([C@H](C)[NH2+][C@H]2CC=CCC2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])[C@H](C)[NH2+][C@H]1CC=CCC1
COc1cc([C@H](C)[NH2+][C@H]2CC=CCC2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])[C@H](C)[NH2+][C@H]1CC=CCC1
CC[C@@H](C)NC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 FC(F)(F)[*:1] CC[C@@H](C)NC(=O)NC1(Oc2cc(Cl)c(Cl)cc2O1)[*:1]
CC[C@@H](C)NC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 CC[C@@H](C)[*:1] O=C(NC1(Oc2cc(Cl)c(Cl)cc2O1)C(F)(F)F)N[*:1]
CC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)C(=O)NC[*:1]
CC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 CC(=O)[*:1] O=C(NCc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)[*:1]
CCN(CC)C(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1c1cccc(OC)c1 CCN(CC)C(=O)[*:1] COc1cccc(c1)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccccc1Cl
CCN(CC)C(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(CC)C(=O)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1ccccc1Cl
CCN(CC)C(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1c1cccc(OC)c1 Clc1ccccc1[*:1] CCN(CC)C(=O)[C@@H]1CN(C[C@H]1c1cccc(c1)OC)C(=O)[*:1]
CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 O=[N+]([O-])c1ccc(cc1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N/N=C/c1cccc(Br)c1)[*:1]
CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 Brc1cccc(c1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)NN=C[*:1])c1ccc(cc1)[N+](=O)[O-]
CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 O=[N+]([O-])[*:1] CC1NC(=S)N[C@H](C=1C(=O)N/N=C/c1cccc(Br)c1)c1ccc(cc1)[*:1]
COC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)CC1 COc1ccc(cc1Cl)[*:1] COC(=O)C1CCN(CC1)C(=O)[C@H](C)N(S(C)(=O)=O)[*:1]
COC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)CC1 COC(=O)[*:1] COc1ccc(cc1Cl)N([C@@H](C)C(=O)N1CCC(CC1)[*:1])S(C)(=O)=O
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CNC(C)=O)C2)c(C)c1 CC(=O)NC[*:1] COc1ccc(NC(=O)CC[C@@H]2CCCN(C2)C(=O)[*:1])c(C)c1
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CNC(C)=O)C2)c(C)c1 CC(=O)N[*:1] COc1ccc(NC(=O)CC[C@@H]2CCCN(C2)C(=O)C[*:1])c(C)c1
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CNC(C)=O)C2)c(C)c1 COc1ccc(c(C)c1)[*:1] CC(=O)NCC(=O)N1CCC[C@@H](CCC(=O)N[*:1])C1
Cc1cc(C)n(CC(=O)NNC(=O)C2CCC(c3ccccc3)CC2)n1 Cc1cc(C)n(C[*:1])n1 O=C(NNC(=O)[*:1])C1CCC(CC1)c1ccccc1
Cc1cc(C)n(CC(=O)NNC(=O)C2CCC(c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)NNC(=O)C2CCC(CC2)[*:1])n1
Cc1cc(C)n(CC(=O)NNC(=O)C2CCC(c3ccccc3)CC2)n1 Cc1cc(C)n(n1)[*:1] O=C(C[*:1])NNC(=O)C1CCC(CC1)c1ccccc1
CC(C)Oc1ccc([C@@H]([NH3+])[C@@H]2CN(C)CCO2)cc1 CC(C)[*:1] CN1CCO[C@@H](C1)[C@H]([NH3+])c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@@H]([NH3+])[C@@H]2CN(C)CCO2)cc1 CC(C)O[*:1] CN1CCO[C@@H](C1)[C@H]([NH3+])c1ccc(cc1)[*:1]
C#CCO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1NC(C)=O C#CC[*:1] CC(=O)N[C@@H]1[C@@H](O[C@H]2CO[C@@H](O[C@H]2[C@@H]1O)c1ccccc1)O[*:1]
C#CCO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1NC(C)=O CC(=O)N[*:1] C#CCO[C@@H]1O[C@H]2CO[C@@H](O[C@H]2[C@H](O)[C@H]1[*:1])c1ccccc1
C#CCO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1NC(C)=O C#CCO[*:1] CC(=O)N[C@H]1[C@@H](O)[C@@H]2O[C@H](OC[C@@H]2O[C@H]1[*:1])c1ccccc1
C#CCO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1NC(C)=O c1ccc(cc1)[*:1] C#CCO[C@@H]1O[C@H]2CO[C@H](O[C@H]2[C@H](O)[C@@H]1NC(C)=O)[*:1]
CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1cccc(N2CCCCC2)c1 C1CCN(CC1)[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1cccc(c1)[*:1]
CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1cccc(N2CCCCC2)c1 CC(C)[*:1] O=C1NCCN(C(=O)Nc2cccc(c2)N2CCCCC2)[C@H]1[*:1]
CCCc1cc(NC(=O)Nc2ccc3c(c2)OCCO3)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)Nc1ccc2OCCOc2c1)[*:1]
Cc1cc(C)c(NNC(=O)NCc2[nH+]ccn2CC(C)C)c(C)c1 CC(C)C[*:1] Cc1cc(C)c(NNC(=O)NCc2[nH+]ccn2[*:1])c(C)c1
Cc1cc(C)c(NNC(=O)NCc2[nH+]ccn2CC(C)C)c(C)c1 CC(C)[*:1] Cc1cc(C)c(NNC(=O)NCc2[nH+]ccn2C[*:1])c(C)c1
C[C@@H]1CCCN(C(=O)N2CCCC[C@@H]2CCO)C1 OCC[*:1] C[C@@H]1CCCN(C1)C(=O)N1CCCC[C@H]1[*:1]
CC(=O)N1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1 Brc1cccc(c1)[*:1] CC(=O)N1CCN(CC1)C(=O)c1ccc(nc1)O[*:1]
CC(=O)N1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1 Brc1cccc(c1)O[*:1] CC(=O)N1CCN(CC1)C(=O)c1ccc(nc1)[*:1]
CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 CCO[C@@H](C)[*:1] N#Cc1cccc(c1)C[NH+]1CCN(CC1)Cc1nc(no1)[*:1]
CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 N#Cc1cccc(c1)[*:1] CCO[C@@H](C)c1noc(CN2CC[NH+](CC2)C[*:1])n1
CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 CCO[*:1] C[C@@H](c1noc(CN2CC[NH+](CC2)Cc2cccc(C#N)c2)n1)[*:1]
N#C/C(=C/C=C\c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl c1ccc(cc1)[*:1] N#C/C(=C/C=C[*:1])C(=O)Nc1cccc(Cl)c1Cl
Cc1ccc(N(CCOC(=O)c2cccnc2)C2=NS(=O)(=O)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)[*:1])c1cccnc1
Cc1ccc(N(CCOC(=O)c2cccnc2)C2=NS(=O)(=O)c3ccccc32)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)N(CCOC(=O)[*:1])C1=NS(=O)(=O)c2ccccc21
Cc1ccc(N(CCOC(=O)c2cccnc2)C2=NS(=O)(=O)c3ccccc32)cc1 O=C(O[*:1])c1cccnc1 Cc1ccc(cc1)N(CC[*:1])C1=NS(=O)(=O)c2ccccc21
Cc1ccc(N(CCOC(=O)c2cccnc2)C2=NS(=O)(=O)c3ccccc32)cc1 O=C(OC[*:1])c1cccnc1 Cc1ccc(cc1)N(C[*:1])C1=NS(=O)(=O)c2ccccc21
CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(C)nc2ccccc12 COc1cccc(c1)[*:1] CCN(CC(=O)N[*:1])C(=O)c1cc(C)nc2ccccc12
COC(=O)[C@](O)(c1cc(C)c(O)c(Cl)c1)C(F)(F)F COC(=O)[*:1] Cc1cc(cc(Cl)c1O)[C@@](O)(C(F)(F)F)[*:1]
COC(=O)[C@](O)(c1cc(C)c(O)c(Cl)c1)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@](O)(c1cc(C)c(O)c(Cl)c1)[*:1]
CC[C@H](NC(=O)[C@H]1COc2ccc(F)cc2C1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@H](NC(=O)[C@H]1COc2ccc(F)cc2C1)[*:1]
Cc1noc(C)c1COc1cccc(C(=O)NC(C)(C)C#N)c1 Cc1noc(C)c1[*:1] CC(C)(C#N)NC(=O)c1cccc(c1)OC[*:1]
Cc1noc(C)c1COc1cccc(C(=O)NC(C)(C)C#N)c1 CC(C)(C#N)[*:1] Cc1noc(C)c1COc1cccc(c1)C(=O)N[*:1]
CCc1cnc(CCNC(=O)/C=C/c2cc3ccccc3o2)s1 CCc1cnc(s1)[*:1] O=C(/C=C/c1cc2ccccc2o1)NCC[*:1]
Cc1nn(CC(=O)NCc2cccs2)c(=O)c2cc3sccc3n12 c1csc(c1)[*:1] Cc1nn(CC(=O)NC[*:1])c(=O)c2cc3sccc3n12
Cc1nn(CC(=O)NCc2cccs2)c(=O)c2cc3sccc3n12 c1csc(c1)C[*:1] Cc1nn(CC(=O)N[*:1])c(=O)c2cc3sccc3n12
Cc1cn(Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)c(C)[nH+]1 FC(F)(F)[*:1] Cc1cn(Cc2nc(oc2C)-c2cccc(c2)[*:1])c(C)[nH+]1
O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1nc2ccccc2s1 OC1(CCCCC1)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1nc2ccccc2s1
O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1nc2ccccc2s1 OC1(CCCCC1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1nc2ccccc2s1
CCOC(=O)C1=C(N)Nc2ccccc2[C@@]12C(=O)OC(C)=C2C(=O)OC(C)(C)C CC(C)(C)[*:1] CCOC(=O)C1=C(N)Nc2ccccc2[C@@]12C(=O)OC(C)=C2C(=O)O[*:1]
CCOC(=O)C1=C(N)Nc2ccccc2[C@@]12C(=O)OC(C)=C2C(=O)OC(C)(C)C CCOC(=O)[*:1] CC1OC(=O)[C@@]2(C=1C(=O)OC(C)(C)C)C(=C(N)Nc1ccccc12)[*:1]
CCOC(=O)C1=C(N)Nc2ccccc2[C@@]12C(=O)OC(C)=C2C(=O)OC(C)(C)C CC(C)(C)OC(=O)[*:1] CCOC(=O)C1=C(N)Nc2ccccc2[C@@]12C(=O)OC(C)=C2[*:1]
O=C(NCc1cccc(F)c1)[C@@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 Fc1cccc(c1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nn2cc(nc2s1)-c1ccc(F)cc1
O=C(NCc1cccc(F)c1)[C@@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 Fc1ccc(cc1)[*:1] O=C(NCc1cccc(F)c1)[C@@H]1CCCN(C1)c1nn2cc(nc2s1)[*:1]
O=C(NCc1cccc(F)c1)[C@@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 Fc1cccc(c1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nn2cc(nc2s1)-c1ccc(F)cc1
O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc2[nH]c(=O)[nH]c2c1 Fc1ccccc1N[*:1] O=C(CSc1nnc(s1)[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc2[nH]c(=O)[nH]c2c1 Fc1ccccc1[*:1] O=C(CSc1nnc(N[*:1])s1)Nc1ccc2[nH]c(=O)[nH]c2c1
COc1ccc(S(=O)(=O)NCc2cscc2C)cc1N Cc1cscc1[*:1] COc1ccc(cc1N)S(=O)(=O)NC[*:1]
Cc1nn(CC(C)C)c(C)c1CCC(=O)N(C)C[C@H]1COc2ccccc2O1 CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CCC(=O)N(C)C[C@H]1COc2ccccc2O1
Cc1nn(CC(C)C)c(C)c1CCC(=O)N(C)C[C@H]1COc2ccccc2O1 CC(C)C[*:1] Cc1nn(c(C)c1CCC(=O)N(C)C[C@H]1COc2ccccc2O1)[*:1]
CCC[NH2+][C@@H]1c2cc(CC(C)C)ccc2C[C@@H]1C CC(C)[*:1] CCC[NH2+][C@@H]1c2cc(ccc2C[C@@H]1C)C[*:1]
CCC[NH2+][C@@H]1c2cc(CC(C)C)ccc2C[C@@H]1C CC(C)C[*:1] CCC[NH2+][C@@H]1c2cc(ccc2C[C@@H]1C)[*:1]
CCC[NH2+][C@@H]1c2cc(CC(C)C)ccc2C[C@@H]1C CCC[*:1] CC(C)Cc1ccc2C[C@H](C)[C@H]([NH2+][*:1])c2c1
CCCCOc1ccc(C2CC([O-])C2)cc1OC CCCC[*:1] COc1cc(ccc1O[*:1])C1CC([O-])C1
CCCCOc1ccc(C2CC([O-])C2)cc1OC [O-]C1CC(C1)[*:1] CCCCOc1ccc(cc1OC)[*:1]
CCCCOc1ccc(C2CC([O-])C2)cc1OC CCCCO[*:1] COc1cc(ccc1[*:1])C1CC([O-])C1
CCCCOc1ccc(C2CC([O-])C2)cc1OC CCC[*:1] COc1cc(ccc1OC[*:1])C1CC([O-])C1
CCOc1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)cc1 CCO[*:1] Cn1c(=O)c2cc(sc2n(C)c1=O)C(=O)Nc1ccc(cc1)[*:1]
O=C(c1ccoc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 c1cc(co1)[*:1] O=C(N1CCO[C@H](C1)c1cccc(c1)OC(F)F)[*:1]
O=C(c1ccoc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)[*:1] O=C(c1ccoc1)N1CCO[C@H](C1)c1cccc(c1)O[*:1]
O=C(c1ccoc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] O=C(c1ccoc1)N1CCO[C@H](C1)c1cccc(c1)[*:1]
COC(=O)CN(CC#N)Cc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] COC(=O)CN(CC#N)Cc1cnc(s1)[*:1]
COC(=O)CN(CC#N)Cc1cnc(-c2ccccc2)s1 COC(=O)C[*:1] N#CCN(Cc1cnc(s1)-c1ccccc1)[*:1]
COC(=O)CN(CC#N)Cc1cnc(-c2ccccc2)s1 N#CC[*:1] COC(=O)CN(Cc1cnc(s1)-c1ccccc1)[*:1]
COC(=O)CN(CC#N)Cc1cnc(-c2ccccc2)s1 COC(=O)[*:1] N#CCN(Cc1cnc(s1)-c1ccccc1)C[*:1]
CS(=O)(=O)c1ccc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 CS(=O)(=O)[*:1] O=C(Cn1c(cc2ccccc21)-c1ccccc1)Nc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)Cn1c(cc2ccccc21)[*:1]
CCCSc1nn2cc(NC(=O)OC)nc2s1 CCC[*:1] COC(=O)Nc1cn2nc(S[*:1])sc2n1
CCCSc1nn2cc(NC(=O)OC)nc2s1 CCCS[*:1] COC(=O)Nc1cn2nc(sc2n1)[*:1]
CCCSc1nn2cc(NC(=O)OC)nc2s1 COC(=O)N[*:1] CCCSc1nn2cc(nc2s1)[*:1]
Cn1cc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])c1ccccc1S(=O)(=O)N1CCOCC1
C[C@@H]1CCC/C(=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 O=S(=O)(N1CCOCC1)[*:1] C[C@@H]1CCC/C(C1)=N/Nc1ccc(cc1[N+](=O)[O-])[*:1]
C[C@@H]1CCC/C(=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@@H]1CCC/C(C1)=N/Nc1ccc(cc1[*:1])S(=O)(=O)N1CCOCC1
O=C([C@@H]1COCCO1)N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C([C@@H]1COCCO1)N1CC[C@@](O)(C1)[*:1]
O=C([C@@H]1COCCO1)N1CC[C@@](O)(C(F)(F)F)C1 C1CO[C@@H](CO1)[*:1] O=C(N1CC[C@](O)(C1)C(F)(F)F)[*:1]
C[C@@H](C(=O)Nc1cc2ccccc2oc1=O)n1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1cc2ccccc2oc1=O)n1nc(ccc1=O)[*:1]
Cc1cccc(CN(C)c2nc(C)c(C(=O)[O-])s2)n1 O=C([O-])[*:1] Cc1cccc(CN(C)c2nc(C)c(s2)[*:1])n1
N#Cc1cn(Cc2ccc(Cl)s2)c2ccccc2c1=O Clc1ccc(s1)[*:1] N#Cc1cn(C[*:1])c2ccccc2c1=O
Cc1nnc(N2CCC(NC(=O)C3CC3)CC2)c(C#N)c1C C1CC1[*:1] Cc1nnc(c(C#N)c1C)N1CCC(CC1)NC(=O)[*:1]
Cc1nnc(N2CCC(NC(=O)C3CC3)CC2)c(C#N)c1C O=C(N[*:1])C1CC1 Cc1nnc(c(C#N)c1C)N1CCC(CC1)[*:1]
C[C@@H](CCC(=O)[O-])NC(=O)Nc1ccc(Cl)c(Br)c1 O=C([O-])C[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccc(Cl)c(Br)c1
C[C@@H](CCC(=O)[O-])NC(=O)Nc1ccc(Cl)c(Br)c1 O=C([O-])[*:1] C[C@@H](CC[*:1])NC(=O)Nc1ccc(Cl)c(Br)c1
C[C@@H](CCC(=O)[O-])NC(=O)Nc1ccc(Cl)c(Br)c1 O=C([O-])CC[*:1] C[C@@H](NC(=O)Nc1ccc(Cl)c(Br)c1)[*:1]
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccco1)N1c3ccccc3C=C[C@H]21 O=C(c1ccco1)[*:1] Cc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1c3ccccc3C=C[C@H]21)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccco1)N1c3ccccc3C=C[C@H]21 O=[N+]([O-])[*:1] Cc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccco1)N1c3ccccc3C=C[C@H]21)[*:1]
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccco1)N1c3ccccc3C=C[C@H]21 Cc1ccc(cc1[*:1])[N+](=O)[O-] O=C(c1ccco1)[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21)[*:1]
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccco1)N1c3ccccc3C=C[C@H]21 c1coc(c1)[*:1] Cc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)[*:1])N1c3ccccc3C=C[C@H]21)[N+](=O)[O-]
O=C(C1CCC1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] O=C(C1CCC1)N1CCC[C@H]1c1cccc(C[*:1])n1
O=C(C1CCC1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 Clc1ccc(cc1)C[*:1] O=C(C1CCC1)N1CCC[C@H]1c1cccc(n1)[*:1]
O=C(C1CCC1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 C1CC(C1)[*:1] O=C(N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1)[*:1]
C[NH2+][C@@H](c1cc(C)cc(F)c1)C1CC1 C1CC1[*:1] C[NH2+][C@@H](c1cc(C)cc(F)c1)[*:1]
COc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)c2n[nH]c(=S)s2)cc1 Clc1cccc(c1Cl)[*:1] COc1ccc(cc1)N(CC(=O)N[*:1])c1n[nH]c(=S)s1
COc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)c2n[nH]c(=S)s2)cc1 COc1ccc(cc1)[*:1] O=C(CN(c1n[nH]c(=S)s1)[*:1])Nc1cccc(Cl)c1Cl
CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)C1 NC(=O)[*:1] CC[C@H]1CCN(C1)C(=O)C(=O)Nc1ccc(cc1F)[*:1]
O=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 O=C(CCC1CCCCC1)N[*:1] O=c1cccc2[C@H]3C[C@H](CN(C3)S(=O)(=O)c3ccc(cc3)[*:1])Cn21
O=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 C1CCC(CC1)CC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)[*:1]
O=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 C1CCC(CC1)[*:1] O=C(CC[*:1])Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2
O=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 C1CCC(CC1)C[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2
Cc1n[nH]c(-c2cccc(CNC(=O)CC3CCC3)c2)n1 Cc1n[nH]c(n1)[*:1] O=C(CC1CCC1)NCc1cccc(c1)[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)CC3CCC3)c2)n1 C1CC(C1)C[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)CC3CCC3)c2)n1 C1CC(C1)[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)C[*:1]
CN(C)c1ccccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN(C)c1ccccc1NC(=O)C(=O)NCC1(CC1)[*:1]
CN(C)c1ccccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 CN(C)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1)C(=O)Nc1ccccc1[*:1]
C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cn1 FC(F)(F)[*:1] C[NH2+][C@H](c1ccc(cc1)[*:1])c1ccc(Cl)cn1
Clc1cccc(-c2nnc(Cn3nccc3-c3ccncc3)o2)c1 c1cc(ccn1)[*:1] Clc1cccc(c1)-c1nnc(Cn2nccc2[*:1])o1
Clc1cccc(-c2nnc(Cn3nccc3-c3ccncc3)o2)c1 Clc1cccc(c1)[*:1] c1cc(ccn1)-c1ccnn1Cc1nnc(o1)[*:1]
C[C@@H](Sc1ncn[nH]1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 c1n[nH]c(n1)[*:1] C[C@@H](S[*:1])C(=O)N1CC(=O)Nc2cc(ccc21)C(F)(F)F
C[C@@H](Sc1ncn[nH]1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 c1n[nH]c(n1)S[*:1] C[C@@H](C(=O)N1CC(=O)Nc2cc(ccc21)C(F)(F)F)[*:1]
C[C@@H](Sc1ncn[nH]1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 FC(F)(F)[*:1] C[C@@H](Sc1ncn[nH]1)C(=O)N1CC(=O)Nc2cc(ccc21)[*:1]
O=C(Nc1ccon1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 c1cc(no1)[*:1] O=C(N[*:1])C1CCN(CC1)c1cc(ncn1)-n1ccnc1
O=C(Nc1ccon1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 O=C(Nc1ccon1)[*:1] c1cn(cn1)-c1cc(ncn1)N1CCC(CC1)[*:1]
O=C(Nc1ccon1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 c1cn(cn1)[*:1] O=C(Nc1ccon1)C1CCN(CC1)c1cc(ncn1)[*:1]
Cc1ccc(Cl)cc1NC(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 Cc1ccc(Cl)cc1[*:1] CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C1)C(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1ccc(Cl)cc1NC(=O)N1CC[C@H](C1)N(C)C(=O)O[*:1]
CC(C)[C@H](Nc1cc(C#N)ccn1)C(=O)[O-] CC(C)[*:1] N#Cc1ccnc(c1)N[C@H](C(=O)[O-])[*:1]
CC(C)[C@H](Nc1cc(C#N)ccn1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](Nc1cc(C#N)ccn1)[*:1]
CC1(C)CCC[C@@H](S(=O)(=O)C2CCCCC2)[C@@H]1[NH3+] C1CCC(CC1)[*:1] CC1(C)CCC[C@H]([C@@H]1[NH3+])S(=O)(=O)[*:1]
O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)Nc1nncs1 c1nnc(s1)[*:1] O=C(NCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)N[*:1]
CN(C(=O)C[C@@H]1CCCO1)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CN(C(=O)C[C@@H]1CCCO1)C1CCN(CC1)[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NNC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[*:1]
Cc1ccc(CN(C(=O)C[C@H]2C[NH2+]CCO2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)CN(C(=O)C[C@H]1C[NH2+]CCO1)[*:1]
Cc1ccc(CN(C(=O)C[C@H]2C[NH2+]CCO2)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@H]1C[NH2+]CCO1)N(C[*:1])C1CC1
O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1cccc(c1)[*:1]
CSc1nc2nc(C)c(CC(=O)NCc3ccccc3Oc3ccccc3)c(C)n2n1 c1ccc(cc1)[*:1] CSc1nc2nc(C)c(CC(=O)NCc3ccccc3O[*:1])c(C)n2n1
CSc1nc2nc(C)c(CC(=O)NCc3ccccc3Oc3ccccc3)c(C)n2n1 c1ccc(cc1)O[*:1] CSc1nc2nc(C)c(CC(=O)NCc3ccccc3[*:1])c(C)n2n1
CCO[C@@H](C)C(=O)[C@H]1CCOC2(CCCCC2)C1 CCO[C@@H](C)[*:1] O=C([C@H]1CCOC2(CCCCC2)C1)[*:1]
CCO[C@@H](C)C(=O)[C@H]1CCOC2(CCCCC2)C1 CCO[*:1] C[C@@H](C(=O)[C@H]1CCOC2(CCCCC2)C1)[*:1]
CCS(=O)(=O)CCNC(=O)c1c(C)nsc1NC CCS(=O)(=O)C[*:1] CNc1snc(C)c1C(=O)NC[*:1]
CCS(=O)(=O)CCNC(=O)c1c(C)nsc1NC CCS(=O)(=O)[*:1] CNc1snc(C)c1C(=O)NCC[*:1]
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@H](C)CN1CCOCC1 Cc1nn(C)c(C)c1[*:1] C[C@@H](CNC(=O)N[C@@H](C)C[*:1])CN1CCOCC1
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@H](C)CN1CCOCC1 C1CN(CCO1)C[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@H](C)[*:1]
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@H](C)CN1CCOCC1 C1CN(CCO1)[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@H](C)C[*:1]
CC(C)[C@H](NS(=O)(=O)N(C)C)c1ccc(F)cc1 CC(C)[*:1] CN(C)S(=O)(=O)N[C@H](c1ccc(F)cc1)[*:1]
C[C@@H](NC(=O)NCC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@@H](NC(=O)NCC(=O)N1CCc2ccccc21)[*:1]
CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1[N+]#N c1ccc(cc1)[*:1] CCOc1cc(NC(=O)[*:1])c(cc1[N+]#N)OCC
CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1[N+]#N CCO[*:1] CCOc1cc([N+]#N)c(cc1NC(=O)c1ccccc1)[*:1]
CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1[N+]#N CCO[*:1] CCOc1cc(NC(=O)c2ccccc2)c(cc1[N+]#N)[*:1]
COC(=O)c1c(/N=C/c2cccc(C)c2)sc(/C(C)=C/C#N)c1C COC(=O)[*:1] C/C(=C\C#N)c1sc(/N=C/c2cccc(C)c2)c(c1C)[*:1]
COC(=O)c1c(/N=C/c2cccc(C)c2)sc(/C(C)=C/C#N)c1C Cc1cccc(c1)[*:1] COC(=O)c1c(N=C[*:1])sc(/C(C)=C/C#N)c1C
COC(=O)c1c(/N=C/c2cccc(C)c2)sc(/C(C)=C/C#N)c1C CC(=CC#N)[*:1] COC(=O)c1c(/N=C/c2cccc(C)c2)sc(c1C)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1ncc(-c2ccccc2)nc1=O c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1ncc(nc1=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1ncc(-c2ccccc2)nc1=O Cc1ccc(Cl)cc1[*:1] C[C@H](C(=O)N[*:1])n1ncc(nc1=O)-c1ccccc1
CC(=O)c1cccc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1 c1coc(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1nc2nc(cc(n2n1)C(F)(F)F)[*:1]
CC(=O)c1cccc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1nc2nc(cc(n2n1)C(F)(F)F)-c1ccco1
CC(=O)c1cccc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1 FC(F)(F)[*:1] CC(=O)c1cccc(c1)NC(=O)c1nc2nc(cc(n2n1)[*:1])-c1ccco1
CC(=O)c1cccc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1 CC(=O)c1cccc(c1)[*:1] O=C(N[*:1])c1nc2nc(cc(n2n1)C(F)(F)F)-c1ccco1
C[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] C[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCOC[C@@H]1[*:1]
C[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCOC[C@H]1C1CC1 CC(C)(C)[*:1] C[C@@H](CNC(=O)O[*:1])CC(=O)N1CCOC[C@H]1C1CC1
COC(=O)Cn1c(SC)nc2ccccc21 COC(=O)C[*:1] CSc1nc2ccccc2n1[*:1]
COC(=O)Cn1c(SC)nc2ccccc21 COC(=O)[*:1] CSc1nc2ccccc2n1C[*:1]
COc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc(OC)c1OC Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CC(=O)N2C(SC[C@@]2(O)[*:1])=C1C#N
Cc1cc(C)cc(NC(=O)CC[NH+](C)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CC[NH+](C)C[*:1]
Cc1cc(C)cc(NC(=O)CC[NH+](C)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)CC[NH+](C)[*:1]
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 O=[N+]([O-])[*:1] O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(CC1)C(=O)c1sc2cc(ccc2c1Cl)[*:1]
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 O=C([O-])[*:1] O=C(c1sc2cc(ccc2c1Cl)[N+](=O)[O-])N1CCN(CC1)C(=O)[C@H]1CC=CC[C@H]1[*:1]
O=C1N[C@H](CO)C(=O)N2CCN(Cc3cnn(-c4ccccc4Cl)c3)C[C@H]12 Clc1ccccc1[*:1] O=C1N[C@H](CO)C(=O)N2CCN(Cc3cnn(c3)[*:1])C[C@H]12
COc1ccc(C)cc1C1(C[NH2+][C@H](C)C(=O)Nc2cc(C)no2)CCOCC1 Cc1cc(NC(=O)[*:1])on1 COc1ccc(C)cc1C1(CCOCC1)C[NH2+][C@H](C)[*:1]
COc1ccc(C)cc1C1(C[NH2+][C@H](C)C(=O)Nc2cc(C)no2)CCOCC1 Cc1cc(on1)[*:1] COc1ccc(C)cc1C1(CCOCC1)C[NH2+][C@H](C)C(=O)N[*:1]
COc1ccc(C)cc1C1(C[NH2+][C@H](C)C(=O)Nc2cc(C)no2)CCOCC1 COc1ccc(C)cc1[*:1] Cc1cc(NC(=O)[C@@H](C)[NH2+]CC2(CCOCC2)[*:1])on1
O=C(N[C@H]1CS(=O)(=O)C[C@H]1/N=C/c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl O=[N+]([O-])[*:1] O=C(N[C@H]1CS(=O)(=O)C[C@H]1/N=C/c1cccc(c1)[*:1])C(Cl)(Cl)Cl
O=C(N[C@H]1CS(=O)(=O)C[C@H]1/N=C/c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=C(N[C@H]1CS(=O)(=O)C[C@H]1/N=C/c1cccc(c1)[N+](=O)[O-])[*:1]
O=C(N[C@H]1CS(=O)(=O)C[C@H]1/N=C/c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl O=C(N[*:1])C(Cl)(Cl)Cl O=[N+]([O-])c1cccc(/C=N/[C@@H]2CS(=O)(=O)C[C@@H]2[*:1])c1
CCOc1nc(O)c(C#N)c(-c2ccccc2)c1C#N c1ccc(cc1)[*:1] CCOc1nc(O)c(C#N)c(c1C#N)[*:1]
CCOc1nc(O)c(C#N)c(-c2ccccc2)c1C#N CCO[*:1] N#Cc1c(O)nc(c(C#N)c1-c1ccccc1)[*:1]
CC(C)C(=O)NCC[NH2+]Cc1cc(Br)c2c(c1)OCO2 CC(C)C(=O)N[*:1] Brc1cc(cc2OCOc12)C[NH2+]CC[*:1]
CC(C)C(=O)NCC[NH2+]Cc1cc(Br)c2c(c1)OCO2 CC(C)[*:1] O=C(NCC[NH2+]Cc1cc(Br)c2OCOc2c1)[*:1]
O=S(=O)(NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(NC[C@@H]1COc2ccccc2O1)[*:1]
CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cn(Cc2c(F)cccc2F)nn1 Fc1cccc(F)c1C[*:1] CN(Cc1nnc(o1)-c1ccccc1)C(=O)c1cn(nn1)[*:1]
CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cn(Cc2c(F)cccc2F)nn1 Fc1cccc(F)c1[*:1] CN(Cc1nnc(o1)-c1ccccc1)C(=O)c1cn(C[*:1])nn1
CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cn(Cc2c(F)cccc2F)nn1 c1ccc(cc1)[*:1] CN(Cc1nnc(o1)[*:1])C(=O)c1cn(Cc2c(F)cccc2F)nn1
Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(C2CC2)n1[*:1]
Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(C2CC2)n1C[*:1]
Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1C Cc1ccc(cc1C)[*:1] O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N[*:1]
Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1C C1CC1[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(n1Cc1ccccc1)[*:1]
CN(Cc1ccccc1F)C(=O)c1ccc(C(F)(F)F)nc1[O-] Fc1ccccc1[*:1] CN(C[*:1])C(=O)c1ccc(nc1[O-])C(F)(F)F
CN(Cc1ccccc1F)C(=O)c1ccc(C(F)(F)F)nc1[O-] FC(F)(F)[*:1] CN(Cc1ccccc1F)C(=O)c1ccc(nc1[O-])[*:1]
C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)Cn1cc(ccc1=O)[*:1])C1CC1
C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 C[C@@H](C1CC1)[*:1] O=C(Cn1cc(ccc1=O)[N+](=O)[O-])N[*:1]
C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)Cn1cc(ccc1=O)[N+](=O)[O-])[*:1]
CNC(=O)NC(=O)[C@@H](C)N[C@@H](CCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@@H](C)N[C@@H](CC[*:1])c1ccccc1
CNC(=O)NC(=O)[C@@H](C)N[C@@H](CCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@@H](C)N[C@@H](CCc1ccccc1)[*:1]
CNC(=O)NC(=O)[C@@H](C)N[C@@H](CCc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] CNC(=O)NC(=O)[C@@H](C)N[C@@H](C[*:1])c1ccccc1
CNC(=O)NC(=O)[C@@H](C)N[C@@H](CCc1ccccc1)c1ccccc1 c1ccc(cc1)CC[*:1] CNC(=O)NC(=O)[C@@H](C)N[C@@H](c1ccccc1)[*:1]
CNC(=O)NC(=O)[C@@H](C)N[C@@H](CCc1ccccc1)c1ccccc1 CNC(=O)NC(=O)[*:1] C[C@@H](N[C@@H](CCc1ccccc1)c1ccccc1)[*:1]
Cc1cc(C)c(C)c(OC(=O)[C@H](C)NC(=O)c2cccs2)c1 c1csc(c1)[*:1] Cc1cc(C)c(C)c(c1)OC(=O)[C@H](C)NC(=O)[*:1]
O=C(Nc1ccccc1C(=O)NCc1ccco1)C1=CCCCO1 c1coc(c1)C[*:1] O=C(Nc1ccccc1C(=O)N[*:1])C1=CCCCO1
O=C(Nc1ccccc1C(=O)NCc1ccco1)C1=CCCCO1 c1coc(c1)[*:1] O=C(Nc1ccccc1C(=O)NC[*:1])C1=CCCCO1
Cc1cccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2c(C)nn(C)c2C)c1 Cc1cccc(c1)[*:1] Cc1nn(C)c(C)c1CN1C(=O)C[C@H](C(=O)[O-])[C@H]1[*:1]
Cc1cccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2c(C)nn(C)c2C)c1 Cc1nn(C)c(C)c1[*:1] Cc1cccc(c1)[C@@H]1[C@H](CC(=O)N1C[*:1])C(=O)[O-]
Cc1cccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2c(C)nn(C)c2C)c1 O=C([O-])[*:1] Cc1cccc(c1)[C@@H]1[C@@H](CC(=O)N1Cc1c(C)nn(C)c1C)[*:1]
O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1nccc2ccccc12 FC(F)(F)[*:1] O=C(N[C@@H]1CCCC[C@@H]1[*:1])c1nccc2ccccc12
Cc1ocnc1CNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C Cc1ocnc1C[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)N[*:1]
Cc1ocnc1CNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ocnc1CNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)O[*:1]
Cc1ocnc1CNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] Cc1ocnc1CNC(=O)N[C@@H]1CCCC[C@H]1C[*:1]
Cc1ocnc1CNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C Cc1ocnc1[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)NC[*:1]
C[C@@H]1CCC[C@@H](OCC(=O)NNc2ccc(-c3ccccc3)nn2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@H](C1)OCC(=O)NNc1ccc(nn1)[*:1]
O=C(c1cccc(/N=C2/N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)N1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(c1cccc(c1)/N=C1/N[C@H]2CS(=O)(=O)C[C@H]2S1)N1CC[NH+](CC1)[*:1]
Cc1cc(C)n(C[C@@H]2CCCN2C(=O)Cc2cn3ccccc3n2)n1 Cc1cc(C)n(C[*:1])n1 O=C(Cc1cn2ccccc2n1)N1CCC[C@H]1[*:1]
Cc1cc(C)n(C[C@@H]2CCCN2C(=O)Cc2cn3ccccc3n2)n1 Cc1cc(C)n(n1)[*:1] O=C(Cc1cn2ccccc2n1)N1CCC[C@H]1C[*:1]
Cc1ccc2[nH+]c(CN(C)Cc3ccc(OC(F)F)cc3)cn2c1 FC(F)O[*:1] Cc1ccc2[nH+]c(cn2c1)CN(C)Cc1ccc(cc1)[*:1]
Cc1ccc2[nH+]c(CN(C)Cc3ccc(OC(F)F)cc3)cn2c1 FC(F)[*:1] Cc1ccc2[nH+]c(cn2c1)CN(C)Cc1ccc(cc1)O[*:1]
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCC(=O)NCC(F)(F)F)c12 O=C(NCC(F)(F)F)[*:1] Cc1noc2nc(cc(C(=O)NC[*:1])c12)-c1ccc(F)cc1
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCC(=O)NCC(F)(F)F)c12 O=C(C[*:1])NCC(F)(F)F Cc1noc2nc(cc(C(=O)N[*:1])c12)-c1ccc(F)cc1
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCC(=O)NCC(F)(F)F)c12 Fc1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)NCC(=O)NCC(F)(F)F)c12)[*:1]
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCC(=O)NCC(F)(F)F)c12 FC(F)(F)[*:1] Cc1noc2nc(cc(C(=O)NCC(=O)NC[*:1])c12)-c1ccc(F)cc1
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCC(=O)NCC(F)(F)F)c12 FC(F)(F)C[*:1] Cc1noc2nc(cc(C(=O)NCC(=O)N[*:1])c12)-c1ccc(F)cc1
Cc1ccc(SCCCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 Cc1ccc(cc1)S[*:1] O=C(CCC[*:1])Nc1nnc(o1)-c1ccccc1
Cc1ccc(SCCCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(CCCS[*:1])Nc1nnc(o1)-c1ccccc1
Cc1ccc(SCCCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)SCCCC(=O)Nc1nnc(o1)[*:1]
CC(=O)N1CCc2cc(C(=O)N[C@@H](CC(C)C)c3nc4ccccc4[nH]3)ccc21 CC(C)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N[C@@H](C[*:1])c1nc2ccccc2[nH]1
CC(=O)N1CCc2cc(C(=O)N[C@@H](CC(C)C)c3nc4ccccc4[nH]3)ccc21 CC(C)C[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
CC(=O)N1CCc2cc(C(=O)N[C@@H](CC(C)C)c3nc4ccccc4[nH]3)ccc21 c1ccc2[nH]c(nc2c1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N[C@@H](CC(C)C)[*:1]
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1cnn(C(C)C)c1 COC(=O)[*:1] CC(C)n1cc(cn1)NC(=O)N[C@H]1CCCCC[C@H]1[*:1]
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1cnn(C(C)C)c1 CC(C)[*:1] COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1cnn(c1)[*:1]
Cc1csc([C@@H]([NH2+][C@@H](C)CC2CC2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H]([NH2+][C@@H](C)C[*:1])C1CC1
Cc1csc([C@@H]([NH2+][C@@H](C)CC2CC2)C2CC2)n1 C1CC1C[*:1] Cc1csc(n1)[C@@H]([NH2+][C@@H](C)[*:1])C1CC1
Cc1csc([C@@H]([NH2+][C@@H](C)CC2CC2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H]([NH2+][C@@H](C)CC1CC1)[*:1]
O=C(Nc1ccccc1)c1ccc(C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)C(=O)c1ccccc1
O=C(Nc1ccccc1)c1ccc(C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1ccc(cc1)C(=O)[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)CCCc2cc(F)ccc2F)C1 Fc1ccc(F)c(c1)[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)CCC[*:1]
Cc1c(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nc2c(Cl)cccn12 O=C(Nc1ccccc1)[*:1] Cc1c(nc2c(Cl)cccn12)C(=O)N1CCC(CC1)[*:1]
Cc1c(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nc2c(Cl)cccn12 c1ccc(cc1)[*:1] Cc1c(nc2c(Cl)cccn12)C(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(C(C)(C)CNC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)C(C)(C)CNC(=O)N[C@H](C)c1nc(no1)[*:1]
COc1ccc(C(C)(C)CNC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCC(C)(C)[*:1])c1nc(no1)C(C)(C)C
COc1ccc(C(C)(C)CNC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)cc1 CC(C)(C)c1noc(n1)[*:1] COc1ccc(cc1)C(C)(C)CNC(=O)N[C@H](C)[*:1]
Cc1ccccc1-c1nnc(S[C@@H](C(N)=O)c2ccc(F)cc2)n1C Fc1ccc(cc1)[*:1] Cc1ccccc1-c1nnc(S[C@@H](C(N)=O)[*:1])n1C
Cc1ccccc1-c1nnc(S[C@@H](C(N)=O)c2ccc(F)cc2)n1C Cc1ccccc1[*:1] Cn1c(nnc1[*:1])S[C@@H](C(N)=O)c1ccc(F)cc1
Cc1ccccc1-c1nnc(S[C@@H](C(N)=O)c2ccc(F)cc2)n1C NC(=O)[*:1] Cc1ccccc1-c1nnc(S[C@@H](c2ccc(F)cc2)[*:1])n1C
CC1(C)CN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)CCO1 C1Cc2nnc(n2C1)[*:1] CC1(C)CN(CCO1)C(=O)Nc1cccc(c1)[*:1]
CCc1nnsc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] CC(C)[*:1] CCc1nnsc1C(=O)NC[C@@H](C[*:1])C(=O)[O-]
CCc1nnsc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] CC(C)C[*:1] CCc1nnsc1C(=O)NC[C@@H](C(=O)[O-])[*:1]
CCc1nnsc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] O=C([O-])[*:1] CCc1nnsc1C(=O)NC[C@@H](CC(C)C)[*:1]
COC[C@@H](C)[NH+]1CCN(CC(=O)NC(=O)Nc2ccc(C)c(C)c2)CC1 Cc1ccc(cc1C)[*:1] COC[C@@H](C)[NH+]1CCN(CC1)CC(=O)NC(=O)N[*:1]
COC[C@@H](C)[NH+]1CCN(CC(=O)NC(=O)Nc2ccc(C)c(C)c2)CC1 COC[*:1] Cc1ccc(cc1C)NC(=O)NC(=O)CN1CC[NH+](CC1)[C@H](C)[*:1]
CSc1ccc(/C=C(\C)[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CSc1ccc(C=C(C)[*:1])cc1
CCCCNC(=O)NCCC1CCN(c2cc[nH+]cc2)CC1 CCC[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)NC[*:1]
CCCCNC(=O)NCCC1CCN(c2cc[nH+]cc2)CC1 CCCC[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)N[*:1]
C[C@@H](CC(=O)N(C)Cc1nnc(C2CC2)n1C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@@H](CC(=O)N(C)Cc1nnc(C2CC2)n1C)[*:1]
C[C@@H](CC(=O)N(C)Cc1nnc(C2CC2)n1C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)N(C)Cc1nnc(C2CC2)n1C)C[*:1]
C[C@@H](CC(=O)N(C)Cc1nnc(C2CC2)n1C)Cc1ccc(Cl)cc1 C1CC1[*:1] C[C@@H](CC(=O)N(C)Cc1nnc(n1C)[*:1])Cc1ccc(Cl)cc1
COc1cc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)cc(OC)c1OC CN(C)S(=O)(=O)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1nc2ccc(cc2s1)[*:1]
C[NH2+][C@@H](CCc1ccc(C)cc1)Cc1c(F)cccc1F Cc1ccc(cc1)[*:1] C[NH2+][C@@H](CC[*:1])Cc1c(F)cccc1F
O=C(COc1ccc(Cl)cc1Cl)N1CC[C@@H](c2ccccn2)C1 c1ccc(nc1)[*:1] O=C(COc1ccc(Cl)cc1Cl)N1CC[C@@H](C1)[*:1]
CC1(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)CCCCC1 CC1(CCCCC1)[*:1] CS(=O)(=O)N1CCc2c(C1)nc([nH]c2=O)[C@H]1CCCCN1C(=O)[*:1]
[NH3+][C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COCc1ccccc1 c1ccc(cc1)C[*:1] [NH3+][C@H]1C[C@@H](O[C@@H]1CO[*:1])n1ccc(=O)[nH]c1=O
[NH3+][C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COCc1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@H]1C[C@@H](O[C@@H]1COC[*:1])n1ccc(=O)[nH]c1=O
CCOC(=O)c1sc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)nc1C Clc1ccc(cc1)[*:1] CCOC(=O)c1sc(nc1C)NC(=O)CS(=O)(=O)[*:1]
CCOC(=O)c1sc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)nc1C CCOC(=O)[*:1] Cc1nc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)sc1[*:1]
C[NH+](CCCc1n[nH]c(N)c1C#N)Cc1ccc(C(F)(F)F)cc1 N#Cc1c(n[nH]c1N)[*:1] C[NH+](CCC[*:1])Cc1ccc(cc1)C(F)(F)F
C[NH+](CCCc1n[nH]c(N)c1C#N)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[NH+](CCCc1n[nH]c(N)c1C#N)Cc1ccc(cc1)[*:1]
C[C@H](O)[C@H](C)SCC(=O)Nc1ccc(Cl)cn1 C[C@H](O)[*:1] C[C@H](SCC(=O)Nc1ccc(Cl)cn1)[*:1]
CCc1ccc(Nc2ncnc(N3CCN(c4ccccc4)CC3)c2[N+](=O)[O-])cc1 CCc1ccc(cc1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1ccccc1
CCc1ccc(Nc2ncnc(N3CCN(c4ccccc4)CC3)c2[N+](=O)[O-])cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])N1CCN(CC1)[*:1]
CCc1ccc(Nc2ncnc(N3CCN(c4ccccc4)CC3)c2[N+](=O)[O-])cc1 CCc1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)c1ccccc1)N[*:1]
CCc1ccc(Nc2ncnc(N3CCN(c4ccccc4)CC3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)Nc1ncnc(c1[*:1])N1CCN(CC1)c1ccccc1
CC[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Oc1ccccc1C CC(C)(C)[*:1] CC[C@H](CNC(=O)c1cn(C)nc1[*:1])Oc1ccccc1C
CC[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Oc1ccccc1C Cc1ccccc1O[*:1] CC[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)[*:1]
CC[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Oc1ccccc1C Cc1ccccc1[*:1] CC[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)O[*:1]
CCN(C)S(=O)(=O)c1c(C)nn(Cc2ccc(C(F)(F)F)cc2)c1C CCN(C)S(=O)(=O)[*:1] Cc1nn(Cc2ccc(cc2)C(F)(F)F)c(C)c1[*:1]
CCN(C)S(=O)(=O)c1c(C)nn(Cc2ccc(C(F)(F)F)cc2)c1C FC(F)(F)[*:1] CCN(C)S(=O)(=O)c1c(C)nn(Cc2ccc(cc2)[*:1])c1C
COc1cc(OC)c(CCNC(=O)c2ccc(Br)cc2F)c(OC)c1 Fc1cc(Br)ccc1[*:1] COc1cc(OC)c(CCNC(=O)[*:1])c(c1)OC
Cc1ccc(N[C@H](C)c2sc(C(C)(C)C)nc2C)c(C)[nH+]1 CC(C)(C)[*:1] Cc1ccc(N[C@H](C)c2sc(nc2C)[*:1])c(C)[nH+]1
Cc1ccsc1[C@@H](O)CNC(=O)C1CC1 C1CC1[*:1] Cc1ccsc1[C@@H](O)CNC(=O)[*:1]
COc1cc(C(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc(OC)c1OC c1csc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1cc(C)nn1-c1nc(cs1)[*:1]
COc1cc(C(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc(OC)c1OC c1csc(c1)-c1csc(n1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1cc(C)nn1[*:1]
CNC(=O)c1ccc(-n2nc(C)c(C(=O)[O-])c2C)nn1 CNC(=O)[*:1] Cc1nn(-c2ccc(nn2)[*:1])c(C)c1C(=O)[O-]
CNC(=O)c1ccc(-n2nc(C)c(C(=O)[O-])c2C)nn1 O=C([O-])[*:1] CNC(=O)c1ccc(nn1)-n1nc(C)c(c1C)[*:1]
O=C(c1ccc(OCC2CC2)nc1)N1CCc2[nH]c(=O)sc2C1 C1CC1[*:1] O=C(c1ccc(nc1)OC[*:1])N1CCc2[nH]c(=O)sc2C1
O=C(c1ccc(OCC2CC2)nc1)N1CCc2[nH]c(=O)sc2C1 C1CC1CO[*:1] O=C(c1ccc(nc1)[*:1])N1CCc2[nH]c(=O)sc2C1
O=C(c1ccc(OCC2CC2)nc1)N1CCc2[nH]c(=O)sc2C1 C1CC1C[*:1] O=C(c1ccc(nc1)O[*:1])N1CCc2[nH]c(=O)sc2C1
CCC[NH2+][C@@H]1CC[C@@H](C(CC)CC)C1 CCC[*:1] CCC(CC)[C@@H]1CC[C@H](C1)[NH2+][*:1]
Cc1ccc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)s1 Cc1ccc(s1)[*:1] O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)[*:1]
Cc1ccc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)s1 C1CN(CCO1)[*:1] Cc1ccc(s1)C(=O)NC[C@@H]([C@@H]1CCOC1)[*:1]
Cc1ccc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)s1 C1C[C@H](CO1)[*:1] Cc1ccc(s1)C(=O)NC[C@@H](N1CCOCC1)[*:1]
COc1ccc(-c2nc(NC(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)sc2C)cc1 CC(=O)[*:1] COc1ccc(cc1)-c1nc(NC(=O)c2ccc(o2)-c2ccc(cc2)[*:1])sc1C
COc1ccc(-c2nc(NC(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)sc2C)cc1 COc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(c(C)s1)[*:1]
COc1ccc(-c2nc(NC(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)sc2C)cc1 CC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(NC(=O)c2ccc(o2)[*:1])sc1C
Cc1c(Br)cc(C(=O)[O-])c(C)c1C O=C([O-])[*:1] Cc1c(Br)cc(c(C)c1C)[*:1]
CC(C)[C@@H](CCOCCO)[C@@H](C)O OCC[*:1] CC(C)[C@@H](CCO[*:1])[C@@H](C)O
CC(C)[C@@H](CCOCCO)[C@@H](C)O OCCO[*:1] CC(C)[C@@H](CC[*:1])[C@@H](C)O
CC(C)[C@@H](CCOCCO)[C@@H](C)O C[C@@H](O)[*:1] CC(C)[C@@H](CCOCCO)[*:1]
CC(C)[C@@H](CCOCCO)[C@@H](C)O CC(C)[*:1] C[C@@H](O)[C@H](CCOCCO)[*:1]
C[C@]1(O)Cc2[nH]nc(O)c2[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OCc1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@]1(O)Cc2[nH]nc(O)c2[C@H]([C@@H]1C(=O)OCc1ccccc1)[*:1]
C[C@]1(O)Cc2[nH]nc(O)c2[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] C[C@]1(O)Cc2[nH]nc(O)c2[C@H](c2cccc(c2)[N+](=O)[O-])[C@@H]1C(=O)O[*:1]
C[C@]1(O)Cc2[nH]nc(O)c2[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OCc1ccccc1 O=[N+]([O-])[*:1] C[C@]1(O)Cc2[nH]nc(O)c2[C@H](c2cccc(c2)[*:1])[C@@H]1C(=O)OCc1ccccc1
C[C@]1(O)Cc2[nH]nc(O)c2[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] C[C@]1(O)Cc2[nH]nc(O)c2[C@H](c2cccc(c2)[N+](=O)[O-])[C@@H]1C(=O)OC[*:1]
C[C@]1(O)Cc2[nH]nc(O)c2[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OCc1ccccc1 O=C(OCc1ccccc1)[*:1] C[C@]1(O)Cc2[nH]nc(O)c2[C@H](c2cccc(c2)[N+](=O)[O-])[C@H]1[*:1]
CCOC(=O)[C@H](F)[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 CCOC(=O)[*:1] C[C@@](O)(c1ccc(cc1)S(C)(=O)=O)[C@@H](F)[*:1]
CCOC(=O)[C@H](F)[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCOC(=O)[C@H](F)[C@](C)(O)c1ccc(cc1)[*:1]
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2C)C1=O Clc1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CC(=O)N2CCCC[C@@H]2C)C1=O)[*:1]
O=C(CCNC(=O)c1ccc(O)c(Cl)c1)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(CCNC(=O)c1ccc(O)c(Cl)c1)N[*:1]
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(c1)O[*:1]
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(Oc2ccccc2)c1 COC(=O)[*:1] CC1Nc2nnnn2[C@H](C=1[*:1])c1cccc(c1)Oc1ccccc1
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(c1)[*:1]
N#Cc1ccc(Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#Cc1ccc(cc1[*:1])Nc1ccc(Cl)cc1Cl
CC[C@H](C)C[C@@H](C)NC(=O)c1cc(C(C)C)no1 CC(C)[*:1] CC[C@H](C)C[C@@H](C)NC(=O)c1cc(no1)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)c1cc(C(C)C)no1 CC[C@H](C)[*:1] CC(C)c1cc(on1)C(=O)N[C@H](C)C[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)c1cc(C(C)C)no1 CC[C@H](C)C[*:1] CC(C)c1cc(on1)C(=O)N[C@H](C)[*:1]
CC(C)CCOCCNc1nc2ccc(Br)cc2s1 CC(C)CCO[*:1] Brc1ccc2nc(NCC[*:1])sc2c1
CC(C)CCOCCNc1nc2ccc(Br)cc2s1 CC(C)[*:1] Brc1ccc2nc(NCCOCC[*:1])sc2c1
CC(C)CCOCCNc1nc2ccc(Br)cc2s1 CC(C)CC[*:1] Brc1ccc2nc(NCCO[*:1])sc2c1
CC(C)CCOCCNc1nc2ccc(Br)cc2s1 CC(C)C[*:1] Brc1ccc2nc(NCCOC[*:1])sc2c1
CC1(C)C(CN2CCC(=O)NC3(CCCC3)C2=O)C1(C)C CC1(C)C(C1(C)C)[*:1] O=C1CCN(C[*:1])C(=O)C2(CCCC2)N1
Cn1c(/C=C/c2ccc(F)cc2)nc2ccc(I)cc2c1=O Fc1ccc(cc1)[*:1] Cn1c(C=C[*:1])nc2ccc(I)cc2c1=O
O=C(OCC(=O)c1ccccc1Cl)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] O=C(OCC(=O)c1ccccc1Cl)C1CCC(=O)N(N=1)[*:1]
O=C(OCC(=O)c1ccccc1Cl)C1=NN(c2ccccc2)C(=O)CC1 Clc1ccccc1[*:1] O=C(OCC(=O)[*:1])C1CCC(=O)N(N=1)c1ccccc1
COc1ccc(CCn2c(C)cc(-c3csc(CC(=O)N4CCOCC4)n3)c2C)cc1 COc1ccc(cc1)C[*:1] Cc1cc(-c2csc(CC(=O)N3CCOCC3)n2)c(C)n1C[*:1]
COc1ccc(CCn2c(C)cc(-c3csc(CC(=O)N4CCOCC4)n3)c2C)cc1 COc1ccc(cc1)CC[*:1] Cc1cc(-c2csc(CC(=O)N3CCOCC3)n2)c(C)n1[*:1]
COc1ccc(CCn2c(C)cc(-c3csc(CC(=O)N4CCOCC4)n3)c2C)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)CCn1c(C)cc(-c2csc(C[*:1])n2)c1C
COc1ccc(CCn2c(C)cc(-c3csc(CC(=O)N4CCOCC4)n3)c2C)cc1 O=C(C[*:1])N1CCOCC1 COc1ccc(cc1)CCn1c(C)cc(-c2csc(n2)[*:1])c1C
COc1ccc(CCn2c(C)cc(-c3csc(CC(=O)N4CCOCC4)n3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(-c2csc(CC(=O)N3CCOCC3)n2)c(C)n1CC[*:1]
Cc1ccc2nc(NC(=O)c3ccc(C)o3)sc2c1 Cc1ccc(o1)[*:1] Cc1ccc2nc(NC(=O)[*:1])sc2c1
CCCc1cc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n(C)n1 CCC[*:1] COc1cc(C(=O)Nc2cc(nn2C)[*:1])c(cc1OC)[N+](=O)[O-]
CCCc1cc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n(C)n1 O=[N+]([O-])[*:1] CCCc1cc(NC(=O)c2cc(OC)c(cc2[*:1])OC)n(C)n1
CCn1c(SCc2ccccc2C)nc2ccccc2c1=O Cc1ccccc1[*:1] CCn1c(nc2ccccc2c1=O)SC[*:1]
CCC(C(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] CCC(C(=O)OC(C)(C)C)(C(F)(F)F)[*:1]
CCC(C(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F CC(C)(C)[*:1] CCC(C(=O)O[*:1])(C(F)(F)F)C(F)(F)F
CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)nc2ccccc21 FC(F)O[*:1] CCn1c(nc2ccccc21)S[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)nc2ccccc21 FC(F)[*:1] CCn1c(nc2ccccc21)S[C@@H](C)C(=O)Nc1ccc(cc1)O[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCSc3ccccn3)C2)cc1 c1ccc(nc1)S[*:1] COc1ccc(cc1)[C@H]1C[C@@H](C)N(C1)C(=O)CC[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCSc3ccccn3)C2)cc1 c1ccc(nc1)SC[*:1] COc1ccc(cc1)[C@H]1C[C@@H](C)N(C1)C(=O)C[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCSc3ccccn3)C2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](C)N(C1)C(=O)CCS[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCSc3ccccn3)C2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1C(=O)CCSc1ccccn1)[*:1]
CC(C)[C@H](CCO)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 CC(C)[C@H](CCO)[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C(C)(C)CNC(=O)N[*:1]
CC(C)[C@H](CCO)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 OCC[*:1] CC(C)[C@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[*:1]
CC(C)[C@H](CCO)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 CC(C)[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C(C)(C)CNC(=O)N[C@@H](CCO)[*:1]
CN1CCc2nc(N)c(C#N)c(-c3ccc(Cl)cc3)c2C1 Clc1ccc(cc1)[*:1] CN1CCc2nc(N)c(C#N)c(c2C1)[*:1]
CN(Cc1ccc(O)cc1)c1c(C#N)c(=O)n(C)c(=O)n1C Oc1ccc(cc1)[*:1] CN(C[*:1])c1c(C#N)c(=O)n(C)c(=O)n1C
O=[N+]([O-])c1[nH]c(Br)nc1I O=[N+]([O-])[*:1] Brc1nc(I)c([nH]1)[*:1]
Cc1csc([C@](C)([NH3+])C2(C)CC2)n1 CC1(CC1)[*:1] Cc1csc(n1)[C@](C)([NH3+])[*:1]
CCCN[C@H](C#N)CCn1ccnc1C#N CCCN[*:1] N#Cc1nccn1CC[C@@H](C#N)[*:1]
CCCN[C@H](C#N)CCn1ccnc1C#N CCC[*:1] N#Cc1nccn1CC[C@@H](C#N)N[*:1]
COc1ccc(-c2cc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)ccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1[*:1])NC(=O)c1ccc2SCCC(=O)Nc2c1
COc1ccc(-c2nc(CC(=O)Nc3cccc(C)c3)cs2)cc1OC Cc1cccc(c1)[*:1] COc1ccc(cc1OC)-c1nc(cs1)CC(=O)N[*:1]
CCCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)C1 CCCNC(=O)[*:1] CO[C@]1(C)C[C@H](NC(=O)N2CCC[C@@H](C2)[*:1])C1(C)C
CCCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)C1 CCC[*:1] CO[C@]1(C)C[C@H](NC(=O)N2CCC[C@@H](C2)C(=O)N[*:1])C1(C)C
CC1CC[NH+](CCCCNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)CC1 S=c1[nH]ccn1[*:1] CC1CC[NH+](CCCCNC(=O)c2ccc(cc2)[*:1])CC1
CC(C)(C)OC1CCN(Cc2[nH]cc(-c3cccc(Br)c3)[nH+]2)CC1 CC(C)(C)[*:1] Brc1cccc(c1)-c1c[nH]c(CN2CCC(CC2)O[*:1])[nH+]1
CC(C)(C)OC1CCN(Cc2[nH]cc(-c3cccc(Br)c3)[nH+]2)CC1 CC(C)(C)O[*:1] Brc1cccc(c1)-c1c[nH]c(CN2CCC(CC2)[*:1])[nH+]1
CC(C)(C)OC1CCN(Cc2[nH]cc(-c3cccc(Br)c3)[nH+]2)CC1 Brc1cccc(c1)[*:1] CC(C)(C)OC1CCN(CC1)Cc1[nH]cc([nH+]1)[*:1]
COCCn1nc(C(=O)NN(c2ccccc2)c2ccccc2)ccc1=O c1ccc(cc1)[*:1] COCCn1nc(ccc1=O)C(=O)NN(c1ccccc1)[*:1]
COCCn1nc(C(=O)NN(c2ccccc2)c2ccccc2)ccc1=O COC[*:1] O=C(NN(c1ccccc1)c1ccccc1)c1ccc(=O)n(C[*:1])n1
COCCn1nc(C(=O)NN(c2ccccc2)c2ccccc2)ccc1=O COCC[*:1] O=C(NN(c1ccccc1)c1ccccc1)c1ccc(=O)n(n1)[*:1]
Cc1csc(SCC(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)n1 Cc1csc(n1)SC[*:1] Cc1ccccc1N1CCN(CC1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1csc(SCC(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)n1 Cc1csc(n1)S[*:1] Cc1ccccc1N1CCN(CC1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1csc(SCC(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)n1 Cc1csc(n1)[*:1] Cc1ccccc1N1CCN(CC1)[C@@H]1CCCN(C1)C(=O)CS[*:1]
Cc1csc(SCC(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)n1 Cc1ccccc1[*:1] Cc1csc(n1)SCC(=O)N1CCC[C@H](C1)N1CCN(CC1)[*:1]
COc1cc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)cc1Cl CC(C)C[*:1] COc1cc(NC(=O)[C@H](N2C(=O)c3ccccc3C2=O)[*:1])c(cc1Cl)OC
COc1cc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)cc1Cl CC(C)[*:1] COc1cc(NC(=O)[C@H](C[*:1])N2C(=O)c3ccccc3C2=O)c(cc1Cl)OC
O=C(NCCNC(=O)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
O=C(NCCNC(=O)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 Clc1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
COc1cccc(N(C)C(=O)c2n[nH]c(C(C)C)n2)c1 CC(C)[*:1] COc1cccc(c1)N(C)C(=O)c1n[nH]c(n1)[*:1]
CNC(=O)C1=NN=C2NC(=O)C[C@H]([C@@H]3C=NN=C3C3CCCCC3)[C@H]21 C1CCC(CC1)[*:1] CNC(=O)C1=NN=C2NC(=O)C[C@@H]([C@H]21)[C@@H]1C=NN=C1[*:1]
C=CCN(C(=O)Cn1nnc2ccccc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)Cn1nnc2ccccc2c1=O)[*:1]
C=CCN(C(=O)Cn1nnc2ccccc2c1=O)c1ccccc1 C=CC[*:1] O=C(Cn1nnc2ccccc2c1=O)N(c1ccccc1)[*:1]
NC(=O)N1CCC[C@H](C(=O)NCc2cc(-c3ccco3)on2)C1 c1coc(c1)[*:1] NC(=O)N1CCC[C@@H](C1)C(=O)NCc1cc(on1)[*:1]
CC(C)(C)c1ccccc1NC(=O)CNc1cc2c(cc1Cl)NC(=O)CO2 CC(C)(C)[*:1] O=C1COc2cc(NCC(=O)Nc3ccccc3[*:1])c(Cl)cc2N1
C=CC(=O)N[C@@H](OC)C(=O)OC COC(=O)[*:1] C=CC(=O)N[C@@H](OC)[*:1]
CCOC(=O)[C@H](F)[C@H](C)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CCOC(=O)[C@H](F)[C@H](C)N[C@@H]1CCN(C1=O)[*:1]
CCOC(=O)[C@H](F)[C@H](C)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O CCOC(=O)[C@H](F)[*:1] C[C@H](N[C@@H]1CCN(C1=O)c1ccc(Cl)cc1)[*:1]
CCOC(=O)[C@H](F)[C@H](C)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O CCOC(=O)[*:1] C[C@H](N[C@@H]1CCN(C1=O)c1ccc(Cl)cc1)[C@@H](F)[*:1]
Fc1ccc(NCc2nnnn2-c2ccccc2)c(OCC2CC2)c1 C1CC1C[*:1] Fc1ccc(NCc2nnnn2-c2ccccc2)c(c1)O[*:1]
Fc1ccc(NCc2nnnn2-c2ccccc2)c(OCC2CC2)c1 c1ccc(cc1)[*:1] Fc1ccc(NCc2nnnn2[*:1])c(c1)OCC1CC1
Fc1ccc(NCc2nnnn2-c2ccccc2)c(OCC2CC2)c1 C1CC1CO[*:1] Fc1ccc(NCc2nnnn2-c2ccccc2)c(c1)[*:1]
Fc1ccc(NCc2nnnn2-c2ccccc2)c(OCC2CC2)c1 C1CC1[*:1] Fc1ccc(NCc2nnnn2-c2ccccc2)c(c1)OC[*:1]
COc1cccc(C(=O)Nc2ccc3c(c2)CN(Cc2cccc(OC)c2OC)C(=O)[C@H](C)O3)c1 COc1cccc(C[*:1])c1OC COc1cccc(c1)C(=O)Nc1ccc2O[C@@H](C)C(=O)N(Cc2c1)[*:1]
COc1cccc(C(=O)Nc2ccc3c(c2)CN(Cc2cccc(OC)c2OC)C(=O)[C@H](C)O3)c1 COc1cccc(c1)C(=O)N[*:1] COc1cccc(CN2Cc3cc(ccc3O[C@@H](C)C2=O)[*:1])c1OC
COc1cccc(C(=O)Nc2ccc3c(c2)CN(Cc2cccc(OC)c2OC)C(=O)[C@H](C)O3)c1 COc1cccc(c1OC)[*:1] COc1cccc(c1)C(=O)Nc1ccc2O[C@@H](C)C(=O)N(Cc2c1)C[*:1]
COc1cccc(C(=O)Nc2ccc3c(c2)CN(Cc2cccc(OC)c2OC)C(=O)[C@H](C)O3)c1 COc1cccc(c1)[*:1] COc1cccc(CN2Cc3cc(ccc3O[C@@H](C)C2=O)NC(=O)[*:1])c1OC
CC1CCN(C(=O)COC(=O)c2cccs2)CC1 c1csc(c1)[*:1] CC1CCN(CC1)C(=O)COC(=O)[*:1]
Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc23)c1 c1cc2OCOc2cc1C[*:1] Cc1ccc(C)c(c1)-c1nn(c(=O)c2ccccc12)[C@@H](C)C(=O)N[*:1]
Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc23)c1 c1cc2OCOc2cc1[*:1] Cc1ccc(C)c(c1)-c1nn(c(=O)c2ccccc12)[C@@H](C)C(=O)NC[*:1]
Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc23)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H](C(=O)NCc1ccc2OCOc2c1)n1nc(c2ccccc2c1=O)[*:1]
COc1ccc(Br)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12 c1ccc(cc1)C[*:1] COc1ccc(Br)cc1-c1nnc2n(c3c(=O)n(C)c(=O)n(C)c3n12)[*:1]
COc1ccc(Br)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12 COc1ccc(Br)cc1[*:1] Cn1c(=O)c2c(n(C)c1=O)n1c(nnc1n2Cc1ccccc1)[*:1]
COc1ccc(Br)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12 c1ccc(cc1)[*:1] COc1ccc(Br)cc1-c1nnc2n(C[*:1])c3c(=O)n(C)c(=O)n(C)c3n12
COC[C@](C)(CCO)[NH2+]Cc1ncccc1C COC[*:1] Cc1cccnc1C[NH2+][C@](C)(CCO)[*:1]
COC[C@](C)(CCO)[NH2+]Cc1ncccc1C OCC[*:1] COC[C@](C)([NH2+]Cc1ncccc1C)[*:1]
COc1cccc([C@@H](CO)NC(=O)NCc2scnc2C)c1 Cc1ncsc1C[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)N[*:1]
COc1cccc([C@@H](CO)NC(=O)NCc2scnc2C)c1 Cc1ncsc1[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)NC[*:1]
Cc1c(NC(=O)[C@@H](C)Sc2ncnc3ccccc23)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)[C@@H](C)Sc2ncnc3ccccc23)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)[C@@H](C)Sc2ncnc3ccccc23)c(=O)n(-c2ccccc2)n1C c1ccc2c(ncnc2c1)[*:1] Cc1c(NC(=O)[C@@H](C)S[*:1])c(=O)n(-c2ccccc2)n1C
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2C=C(c3ccncc3)N=N2)C1 c1cc(ccn1)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2C=C(c3ccncc3)N=N2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)c1ccncc1
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2C=C(c3ccncc3)N=N2)C1 O=C(Nc1ccccc1)[*:1] O=C([C@@H]1C=C(N=N1)c1ccncc1)N1CCC[C@@H](C1)[*:1]
CC(C)(C)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 CC(C)(C)C(=O)N[*:1] O=S(=O)(c1ccccc1)N1CCCc2ccc(cc21)[*:1]
CC(C)(C)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 CC(C)(C)[*:1] O=C(Nc1ccc2CCCN(c2c1)S(=O)(=O)c1ccccc1)[*:1]
CC(C)(C)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 c1ccc(cc1)[*:1] CC(C)(C)C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)[*:1]
O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@H](C1=c2ccccc2=[NH+]C1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(CNC(=O)c1ccc2OCOc2c1)NC[C@H](C1C[NH+]=c2ccccc2=1)[*:1]
O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@H](C1=c2ccccc2=[NH+]C1)c1ccccc1Cl c1cc2OCOc2cc1[*:1] O=C(CNC(=O)[*:1])NC[C@H](C1C[NH+]=c2ccccc2=1)c1ccccc1Cl
COCC[C@@H](C)C(=O)Nc1cc(F)ccc1C(=O)OC COCC[*:1] COC(=O)c1ccc(F)cc1NC(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)Nc1cc(F)ccc1C(=O)OC COCC[C@@H](C)[*:1] COC(=O)c1ccc(F)cc1NC(=O)[*:1]
COCC[C@@H](C)C(=O)Nc1cc(F)ccc1C(=O)OC COC[*:1] COC(=O)c1ccc(F)cc1NC(=O)[C@H](C)C[*:1]
COCC[C@@H](C)C(=O)Nc1cc(F)ccc1C(=O)OC COC(=O)[*:1] COCC[C@@H](C)C(=O)Nc1cc(F)ccc1[*:1]
CCC(=O)N[C@](Nc1ncc(C)s1)(C(=O)OC)C(F)(F)F CCC(=O)N[*:1] COC(=O)[C@@](Nc1ncc(C)s1)(C(F)(F)F)[*:1]
CCC(=O)N[C@](Nc1ncc(C)s1)(C(=O)OC)C(F)(F)F Cc1cnc(s1)[*:1] CCC(=O)N[C@](N[*:1])(C(=O)OC)C(F)(F)F
CCC(=O)N[C@](Nc1ncc(C)s1)(C(=O)OC)C(F)(F)F COC(=O)[*:1] CCC(=O)N[C@](Nc1ncc(C)s1)(C(F)(F)F)[*:1]
CCC(=O)N[C@](Nc1ncc(C)s1)(C(=O)OC)C(F)(F)F FC(F)(F)[*:1] CCC(=O)N[C@](Nc1ncc(C)s1)(C(=O)OC)[*:1]
CCC(=O)N[C@](Nc1ncc(C)s1)(C(=O)OC)C(F)(F)F Cc1cnc(N[*:1])s1 CCC(=O)N[C@](C(=O)OC)(C(F)(F)F)[*:1]
O=C(CN1CSCC1=O)Nc1nc2c(s1)CCCCC2 O=C1CSCN1[*:1] O=C(C[*:1])Nc1nc2CCCCCc2s1
CCc1ccccc1Nc1ncnc(Nc2ccc(Cl)cn2)c1N Clc1ccc(nc1)[*:1] CCc1ccccc1Nc1ncnc(N[*:1])c1N
CCc1ccccc1Nc1ncnc(Nc2ccc(Cl)cn2)c1N Clc1ccc(nc1)N[*:1] CCc1ccccc1Nc1ncnc(c1N)[*:1]
CCc1ccccc1Nc1ncnc(Nc2ccc(Cl)cn2)c1N CCc1ccccc1[*:1] Nc1c(ncnc1N[*:1])Nc1ccc(Cl)cn1
CCN(CC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1 c1ccc(cc1)[*:1] CCN(CC(=O)c1ccc(Cl)cc1Cl)C[*:1]
CCN(CC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1 c1ccc(cc1)C[*:1] CCN(CC(=O)c1ccc(Cl)cc1Cl)[*:1]
NC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)S(=O)(=O)N1CCCCCC1
NC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCCCCC1
CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccn(C)c3)no2)c1 CC(=O)[*:1] Cn1ccc(c1)CNC(=O)c1cc(COc2cccc(c2)[*:1])on1
CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccn(C)c3)no2)c1 Cn1ccc(c1)C[*:1] CC(=O)c1cccc(c1)OCc1cc(no1)C(=O)N[*:1]
CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccn(C)c3)no2)c1 Cn1ccc(c1)[*:1] CC(=O)c1cccc(c1)OCc1cc(no1)C(=O)NC[*:1]
COCc1nc(C)cc(N(C)[C@@H]2C[C@@](C)(OC)C2(C)C)n1 COC[*:1] CO[C@]1(C)C[C@@H](N(C)c2cc(C)nc(n2)[*:1])C1(C)C
Cc1nc(CC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cs1 NC(=O)[*:1] Cc1nc(cs1)CC(=O)N1C[C@H](CC[C@H]1C)[*:1]
Cc1nc(CC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cs1 Cc1nc(cs1)[*:1] C[C@@H]1CC[C@H](CN1C(=O)C[*:1])C(N)=O
O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nn2cc(-c3ccccc3)nc2s1 c1ccc(cc1)[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nn2cc(nc2s1)[*:1]
CC1=NC(C)=C(S(=O)(=O)NCCC(=O)Nc2cccc(Cl)c2C)[C@H]1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CC1=NC(C)=C([C@@H]1[*:1])S(=O)(=O)NCCC(=O)Nc1cccc(Cl)c1C
CC1=NC(C)=C(S(=O)(=O)NCCC(=O)Nc2cccc(Cl)c2C)[C@H]1C(=O)N1CCCCC1 Cc1c(Cl)cccc1[*:1] CC1=NC(C)=C([C@H]1C(=O)N1CCCCC1)S(=O)(=O)NCCC(=O)N[*:1]
C=C[C@]1(C)C[C@@H](O)[C@H](C(=C)C(=O)OC)[C@H](O)[C@@H]1C(=C)CO C=C(C(=O)OC)[*:1] C=C[C@]1(C)C[C@@H](O)[C@H]([C@H](O)[C@@H]1C(=C)CO)[*:1]
C=C[C@]1(C)C[C@@H](O)[C@H](C(=C)C(=O)OC)[C@H](O)[C@@H]1C(=C)CO C=C(CO)[*:1] C=C[C@]1(C)C[C@@H](O)[C@H](C(=C)C(=O)OC)[C@H](O)[C@H]1[*:1]
C=C[C@]1(C)C[C@@H](O)[C@H](C(=C)C(=O)OC)[C@H](O)[C@@H]1C(=C)CO COC(=O)[*:1] C=C[C@]1(C)C[C@@H](O)[C@H](C(=C)[*:1])[C@H](O)[C@@H]1C(=C)CO
CCOc1ccc(N2CCN(CC(=O)N3CCN(CC)CC3)C2=O)cc1 CCO[*:1] CCN1CCN(CC1)C(=O)CN1CCN(C1=O)c1ccc(cc1)[*:1]
C[C@@H]1C[C@@](O)(Cc2ccc(OC(F)(F)F)cc2)CS1 FC(F)(F)O[*:1] C[C@@H]1C[C@](O)(CS1)Cc1ccc(cc1)[*:1]
C[C@@H]1C[C@@](O)(Cc2ccc(OC(F)(F)F)cc2)CS1 FC(F)(F)[*:1] C[C@@H]1C[C@](O)(CS1)Cc1ccc(cc1)O[*:1]
Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N3CCOCC3)C2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CN(CN1C(=O)N1CCOCC1)S(=O)(=O)[*:1]
O=C(Cc1coc(-c2ccccc2)n1)NCCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1coc(n1)[*:1])NCCS(=O)(=O)c1ccccc1
O=C(Cc1coc(-c2ccccc2)n1)NCCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1coc(n1)-c1ccccc1)NCCS(=O)(=O)[*:1]
O=C(CSCc1ccco1)N[C@H](c1ccccc1)c1nccs1 c1coc(c1)C[*:1] O=C(CS[*:1])N[C@H](c1ccccc1)c1nccs1
O=C(CSCc1ccco1)N[C@H](c1ccccc1)c1nccs1 c1ccc(cc1)[*:1] O=C(CSCc1ccco1)N[C@H](c1nccs1)[*:1]
O=C(CSCc1ccco1)N[C@H](c1ccccc1)c1nccs1 c1csc(n1)[*:1] O=C(CSCc1ccco1)N[C@H](c1ccccc1)[*:1]
O=C(CSCc1ccco1)N[C@H](c1ccccc1)c1nccs1 c1coc(c1)CS[*:1] O=C(C[*:1])N[C@H](c1ccccc1)c1nccs1
O=C(CSCc1ccco1)N[C@H](c1ccccc1)c1nccs1 c1coc(c1)[*:1] O=C(CSC[*:1])N[C@H](c1ccccc1)c1nccs1
COc1ccc(CNc2ncnc(OC(C)C)c2N)cn1 CC(C)O[*:1] COc1ccc(cn1)CNc1ncnc(c1N)[*:1]
COc1ccc(CNc2ncnc(OC(C)C)c2N)cn1 CC(C)[*:1] COc1ccc(cn1)CNc1ncnc(O[*:1])c1N
CN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1cccc(C(F)(F)F)c1 O=C([O-])[*:1] CN1C(=O)C[C@@H](S/C1=N\c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)[*:1]
CN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] CN1C(=O)C[C@@H](SC1=N[*:1])C(=O)Nc1ccc(cc1)C(=O)[O-]
CN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CN1C(=O)C[C@@H](S/C1=N\c1cccc(c1)[*:1])C(=O)Nc1ccc(cc1)C(=O)[O-]
CN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1cccc(C(F)(F)F)c1 O=C([O-])c1ccc(cc1)[*:1] CN1C(=O)C[C@@H](S/C1=N\c1cccc(c1)C(F)(F)F)C(=O)N[*:1]
COC(=O)CC[NH+](C)Cc1ccccc1N1CCCC1 COC(=O)[*:1] C[NH+](CC[*:1])Cc1ccccc1N1CCCC1
COC(=O)CC[NH+](C)Cc1ccccc1N1CCCC1 COC(=O)C[*:1] C[NH+](Cc1ccccc1N1CCCC1)C[*:1]
COC(=O)CC[NH+](C)Cc1ccccc1N1CCCC1 C1CCN(C1)[*:1] COC(=O)CC[NH+](C)Cc1ccccc1[*:1]
COC(=O)CC[NH+](C)Cc1ccccc1N1CCCC1 COC(=O)CC[*:1] C[NH+](Cc1ccccc1N1CCCC1)[*:1]
CCc1cc(=O)[nH]c(-c2ccc(N(C)CCc3cccs3)[nH+]c2)n1 c1csc(c1)C[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc([nH+]c1)N(C)C[*:1]
CCc1cc(=O)[nH]c(-c2ccc(N(C)CCc3cccs3)[nH+]c2)n1 c1csc(c1)CC[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc([nH+]c1)N(C)[*:1]
CCc1cc(=O)[nH]c(-c2ccc(N(C)CCc3cccs3)[nH+]c2)n1 c1csc(c1)[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc([nH+]c1)N(C)CC[*:1]
CCOC(=O)CCNC(=O)N1CCCC[C@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] CCOC(=O)CCNC(=O)N1CCCC[C@@H]1[*:1]
CCOC(=O)CCNC(=O)N1CCCC[C@H]1c1cccc(OC)c1 CCOC(=O)[*:1] COc1cccc(c1)[C@@H]1CCCCN1C(=O)NCC[*:1]
CCOC(=O)CCNC(=O)N1CCCC[C@H]1c1cccc(OC)c1 CCOC(=O)CC[*:1] COc1cccc(c1)[C@@H]1CCCCN1C(=O)N[*:1]
CCOC(=O)CCNC(=O)N1CCCC[C@H]1c1cccc(OC)c1 CCOC(=O)C[*:1] COc1cccc(c1)[C@@H]1CCCCN1C(=O)NC[*:1]
COc1ccccc1CNC(=O)c1cc(C)on1 Cc1cc(no1)[*:1] COc1ccccc1CNC(=O)[*:1]
Cc1c2c(cc3c1O/C(=C\c1ccccc1Cl)C3=O)CN(Cc1cccnc1)CO2 c1cncc(c1)C[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3ccccc3Cl)Oc21)[*:1]
Cc1c2c(cc3c1O/C(=C\c1ccccc1Cl)C3=O)CN(Cc1cccnc1)CO2 c1cncc(c1)[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3ccccc3Cl)Oc21)C[*:1]
Cc1c2c(cc3c1O/C(=C\c1ccccc1Cl)C3=O)CN(Cc1cccnc1)CO2 Clc1ccccc1[*:1] Cc1c2OCN(Cc3cccnc3)Cc2cc2C(=O)C(=C[*:1])Oc21
Cc1cccc(-c2nc(CC(=O)NC3(C#N)CCCCC3)cs2)c1 Cc1cccc(c1)[*:1] N#CC1(CCCCC1)NC(=O)Cc1csc(n1)[*:1]
Cc1cccc(-c2nc(CC(=O)NC3(C#N)CCCCC3)cs2)c1 N#CC1(CCCCC1)[*:1] Cc1cccc(c1)-c1nc(cs1)CC(=O)N[*:1]
O=C([O-])c1ccc(OCc2nccn2C(F)F)cn1 FC(F)[*:1] O=C([O-])c1ccc(cn1)OCc1nccn1[*:1]
O=C([O-])c1ccc(OCc2nccn2C(F)F)cn1 O=C([O-])[*:1] FC(F)n1ccnc1COc1ccc(nc1)[*:1]
Cc1ccn(CC/C(N)=N\O)n1 N/C(=N/O)[*:1] Cc1ccn(CC[*:1])n1
CC[C@@H](C(=O)NCc1cccnc1)N(c1ccccc1F)S(C)(=O)=O Fc1ccccc1[*:1] CC[C@@H](C(=O)NCc1cccnc1)N(S(C)(=O)=O)[*:1]
CC[C@@H](C(=O)NCc1cccnc1)N(c1ccccc1F)S(C)(=O)=O c1cncc(c1)C[*:1] CC[C@@H](C(=O)N[*:1])N(c1ccccc1F)S(C)(=O)=O
CC[C@@H](C(=O)NCc1cccnc1)N(c1ccccc1F)S(C)(=O)=O c1cncc(c1)[*:1] CC[C@@H](C(=O)NC[*:1])N(c1ccccc1F)S(C)(=O)=O
CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(Cl)s1 c1csc(c1)[*:1] CCN(C[*:1])C(=O)N[C@H](C)c1ccc(Cl)s1
CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(Cl)s1 c1csc(c1)C[*:1] CCN(C(=O)N[C@H](C)c1ccc(Cl)s1)[*:1]
CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CCN(Cc1cccs1)C(=O)N[C@H](C)[*:1]
O=C(NCc1nc(-c2cccs2)n[nH]1)NCc1ccccc1OC1CCCC1 C1CCC(C1)O[*:1] O=C(NCc1nc(n[nH]1)-c1cccs1)NCc1ccccc1[*:1]
O=C(NCc1nc(-c2cccs2)n[nH]1)NCc1ccccc1OC1CCCC1 c1csc(c1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])NCc1ccccc1OC1CCCC1
O=C(NCc1nc(-c2cccs2)n[nH]1)NCc1ccccc1OC1CCCC1 C1CCC(C1)[*:1] O=C(NCc1nc(n[nH]1)-c1cccs1)NCc1ccccc1O[*:1]
C[C@@](O)(CNC(=O)NCCc1ccccn1)c1ccco1 c1coc(c1)[*:1] C[C@@](O)(CNC(=O)NCCc1ccccn1)[*:1]
C[C@@](O)(CNC(=O)NCCc1ccccn1)c1ccco1 c1ccc(nc1)[*:1] C[C@@](O)(CNC(=O)NCC[*:1])c1ccco1
C[C@@](O)(CNC(=O)NCCc1ccccn1)c1ccco1 c1ccc(C[*:1])nc1 C[C@@](O)(CNC(=O)NC[*:1])c1ccco1
COc1ccc2c(ccn2CC(=O)N2CCN(c3ccccc3OC)CC2)c1 COc1ccccc1[*:1] COc1ccc2c(ccn2CC(=O)N2CCN(CC2)[*:1])c1
O=C(CN1C(=O)[C@@H](C(=O)N2CCCCCC2)Sc2ccccc21)Nc1cccc(C(F)(F)F)c1 O=C(N1CCCCCC1)[*:1] O=C(CN1C(=O)[C@@H](Sc2ccccc21)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(CN1C(=O)[C@@H](C(=O)N2CCCCCC2)Sc2ccccc21)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CN1C(=O)[C@H](Sc2ccccc21)C(=O)N1CCCCCC1)Nc1cccc(c1)[*:1]
O=C(CN1C(=O)[C@@H](C(=O)N2CCCCCC2)Sc2ccccc21)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(CN1C(=O)[C@H](Sc2ccccc21)C(=O)N1CCCCCC1)N[*:1]
O=C(Nc1ccc(F)cc1F)c1ccc(N2CCCCS2(=O)=O)cc1 O=S1(=O)CCCCN1[*:1] O=C(Nc1ccc(F)cc1F)c1ccc(cc1)[*:1]
O=C(Nc1ccc(F)cc1F)c1ccc(N2CCCCS2(=O)=O)cc1 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])c1ccc(cc1)N1CCCCS1(=O)=O
C=CCNc1ccc([N+](=O)[O-])cc1C#N C=CCN[*:1] N#Cc1cc(ccc1[*:1])[N+](=O)[O-]
C=CCNc1ccc([N+](=O)[O-])cc1C#N O=[N+]([O-])[*:1] C=CCNc1ccc(cc1C#N)[*:1]
C=CCNc1ccc([N+](=O)[O-])cc1C#N C=CC[*:1] N#Cc1cc(ccc1N[*:1])[N+](=O)[O-]
O=C(Cc1cccs1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Cc1cccs1)N(CC1CC1)c1ccc(Cl)c(c1)[*:1]
O=C(Cc1cccs1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 C1CC1[*:1] O=C(Cc1cccs1)N(C[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(Cc1cccs1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 C1CC1C[*:1] O=C(Cc1cccs1)N(c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
O=C(Cc1cccs1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 c1csc(c1)C[*:1] O=C(N(CC1CC1)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
O=C(Cc1cccs1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 c1csc(c1)[*:1] O=C(C[*:1])N(CC1CC1)c1ccc(Cl)c(c1)[N+](=O)[O-]
CS(=O)(=O)Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 CS(=O)(=O)[*:1] O=C(c1ccc(cc1)C[*:1])N(Cc1ccccc1F)C1CC1
CS(=O)(=O)Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 Fc1ccccc1[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)N(C[*:1])C1CC1
CS(=O)(=O)Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 CS(=O)(=O)C[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccccc1F)C1CC1
CS(=O)(=O)Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 Fc1ccccc1C[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)N(C1CC1)[*:1]
CS(=O)(=O)Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 C1CC1[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)N(Cc1ccccc1F)[*:1]
CC[C@@H](Oc1cccc(/C=C2/SC(=O)N(c3cccc(OC)c3)C2=O)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](Oc1cccc(/C=C2/SC(=O)N(C2=O)c2cccc(c2)OC)c1)[*:1]
CC[C@@H](Oc1cccc(/C=C2/SC(=O)N(c3cccc(OC)c3)C2=O)c1)C(=O)[O-] COc1cccc(c1)[*:1] CC[C@@H](Oc1cccc(/C=C2/SC(=O)N(C2=O)[*:1])c1)C(=O)[O-]
Cc1ccc(-c2nc3sc(CC(C)C)nn3c2C)cc1C CC(C)C[*:1] Cc1ccc(cc1C)-c1nc2sc(nn2c1C)[*:1]
Cc1ccc(-c2nc3sc(CC(C)C)nn3c2C)cc1C CC(C)[*:1] Cc1ccc(cc1C)-c1nc2sc(C[*:1])nn2c1C
COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](Cc3cccc(C)c3)S2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)/C(C)=N/N=C1\NC(=O)[C@H](C[*:1])S1
COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](Cc3cccc(C)c3)S2)cc1 COc1ccc(cc1)[*:1] CC(=N/N=C1\NC(=O)[C@H](Cc2cccc(C)c2)S1)[*:1]
COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](Cc3cccc(C)c3)S2)cc1 Cc1cccc(c1)C[*:1] COc1ccc(cc1)/C(C)=N/N=C1\NC(=O)[C@H](S1)[*:1]
Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1=O Cc1cc(F)ccc1[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
CCc1ccc(CC)c(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)c1 CC(C)[*:1] CCc1ccc(CC)c(c1)NC(=O)NC[C@H]1CCO[C@H]1[*:1]
CN(C)[C@H]1CC/[N+](=C2\Nc3cc(Cl)ccc3Nc3ccccc32)C1 CN(C)[*:1] Clc1ccc2Nc3ccccc3/C(Nc2c1)=[N+]1/CC[C@@H](C1)[*:1]
CS[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)O[*:1]
CS[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)C1 CS[C@H]1CC[C@@H](C1)[*:1] CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)N[*:1]
Cc1ccc([C@H](C)[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)cc1C NC(=O)CC[*:1] Cc1ccc(cc1C)[C@H](C)[NH2+]Cc1cn(c2ccccc12)[*:1]
Cc1ccc([C@H](C)[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)cc1C Cc1ccc(cc1C)[*:1] C[C@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)[*:1]
Cc1ccc([C@H](C)[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)cc1C NC(=O)C[*:1] Cc1ccc(cc1C)[C@H](C)[NH2+]Cc1cn(C[*:1])c2ccccc12
Cc1ccc([C@H](C)[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)cc1C NC(=O)[*:1] Cc1ccc(cc1C)[C@H](C)[NH2+]Cc1cn(CC[*:1])c2ccccc12
CC(C)NS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1F CC(C)NS(=O)(=O)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(F)c(c1)[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1F CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(F)c(c1)S(=O)(=O)N[*:1]
Cc1ccc(OCCn2cc[nH+]c2)c(/C=C/C(=O)[O-])n1 O=C([O-])C=C[*:1] Cc1ccc(OCCn2cc[nH+]c2)c(n1)[*:1]
Cc1ccc(OCCn2cc[nH+]c2)c(/C=C/C(=O)[O-])n1 O=C([O-])[*:1] Cc1ccc(OCCn2cc[nH+]c2)c(C=C[*:1])n1
COc1cccc(CNC(=O)[C@H](C)S(=O)(=O)c2ccc(C)cc2C)c1 Cc1ccc(c(C)c1)[*:1] COc1cccc(c1)CNC(=O)[C@H](C)S(=O)(=O)[*:1]
COc1cccc(CNC(=O)[C@H](C)S(=O)(=O)c2ccc(C)cc2C)c1 COc1cccc(c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)[C@@H](C)C(=O)NC[*:1]
C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)c2cc(F)ccc2C(=O)N1 Fc1ccc(cc1Cl)[*:1] C[C@@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
COc1ccc(CCNC(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)cc1OC COc1ccc(cc1OC)[*:1] O=C(CN1C(=O)c2cccc3cccc(C1=O)c23)NCC[*:1]
COc1ccccc1N1CCN(C(=O)C[C@H]2CSc3nc(C)cc(=O)n32)CC1 COc1ccccc1[*:1] Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCN(CC1)[*:1]
Cc1cc(C)nc(SCc2ccc(C(=O)Nc3cccc4c3ccn4C)o2)n1 Cc1cc(C)nc(n1)[*:1] Cn1ccc2c(cccc21)NC(=O)c1ccc(CS[*:1])o1
Cc1cc(C)nc(SCc2ccc(C(=O)Nc3cccc4c3ccn4C)o2)n1 Cc1cc(C)nc(n1)S[*:1] Cn1ccc2c(cccc21)NC(=O)c1ccc(C[*:1])o1
O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@@H]1Cc2cc(Cl)ccc2O1 c1cncc(c1)[*:1] O=C(NCCN1C(=O)SC(=C[*:1])C1=O)[C@@H]1Cc2cc(Cl)ccc2O1
C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2Br)[C@@H]1C Brc1ccccc1[*:1] C[C@@H]1CCC[C@H](NC(=O)COC(=O)[*:1])[C@@H]1C
O=C(Nc1cnn(CC2CC2)c1)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)CC1CC1)c1cc(on1)[*:1]
O=C(Nc1cnn(CC2CC2)c1)c1cc(-c2ccccc2)on1 C1CC1[*:1] O=C(Nc1cnn(c1)C[*:1])c1cc(on1)-c1ccccc1
O=C(Nc1cnn(CC2CC2)c1)c1cc(-c2ccccc2)on1 C1CC1C[*:1] O=C(Nc1cnn(c1)[*:1])c1cc(on1)-c1ccccc1
C[C@@H](NC(=O)c1cccc2ccnn12)C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)c1cccc2ccnn12)[*:1]
C[C@@H](NC(=O)c1cccc2ccnn12)C(N)=O C[C@@H](C(N)=O)[*:1] O=C(N[*:1])c1cccc2ccnn12
CN(CCc1cccs1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 c1cn(cn1)[*:1] CN(CCc1cccs1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN(CCc1cccs1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)c1ccc(c(c1)[N+](=O)[O-])-n1ccnc1
CN(CCc1cccs1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 c1csc(c1)CC[*:1] CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])-n1ccnc1)[*:1]
CN(CCc1cccs1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(CCc1cccs1)C(=O)c1ccc(c(c1)[*:1])-n1ccnc1
CN(CCc1cccs1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)c1ccc(c(c1)[N+](=O)[O-])-n1ccnc1
CCn1c2ccccc2c2cc(N[C@H](C)C(=O)NC3CC3)ccc21 O=C(NC1CC1)[*:1] CCn1c2ccccc2c2cc(ccc21)N[C@H](C)[*:1]
CCn1c2ccccc2c2cc(N[C@H](C)C(=O)NC3CC3)ccc21 C1CC1[*:1] CCn1c2ccccc2c2cc(ccc21)N[C@H](C)C(=O)N[*:1]
CCn1c2ccccc2c2cc(N[C@H](C)C(=O)NC3CC3)ccc21 C[C@H](C(=O)NC1CC1)[*:1] CCn1c2ccccc2c2cc(ccc21)N[*:1]
Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)c1 Cc1ccc(C)c(c1)[*:1] CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C)[*:1]
Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)c1 Brc1ccccc1[*:1] Cc1ccc(C)c(c1)[C@H](C)NC(=O)[C@@H](NC(=O)[*:1])C(C)C
Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1Br)[*:1]
CC[C@@H]1CC[C@@H](N(CC#N)C2CCCC2)C1 C1CCC(C1)[*:1] CC[C@@H]1CC[C@H](C1)N(CC#N)[*:1]
CC[C@@H]1CC[C@@H](N(CC#N)C2CCCC2)C1 N#CC[*:1] CC[C@@H]1CC[C@H](C1)N(C1CCCC1)[*:1]
COc1ccc(NC(=O)c2cc(Cl)ccc2OC(C)C)c(OC)c1 CC(C)O[*:1] COc1ccc(NC(=O)c2cc(Cl)ccc2[*:1])c(c1)OC
COc1ccc(NC(=O)c2cc(Cl)ccc2OC(C)C)c(OC)c1 CC(C)[*:1] COc1ccc(NC(=O)c2cc(Cl)ccc2O[*:1])c(c1)OC
COc1ccc(NC(=S)NCc2ccc3c(c2)cc(C)n3C)cc1 COc1ccc(cc1)[*:1] Cc1cc2cc(ccc2n1C)CNC(=S)N[*:1]
COc1ccnc(NC(=O)c2cc(C)ccc2N2CCCC2=O)c1 O=C1CCCN1[*:1] COc1ccnc(c1)NC(=O)c1cc(C)ccc1[*:1]
COc1ccnc(NC(=O)c2cc(C)ccc2N2CCCC2=O)c1 COc1ccnc(c1)[*:1] Cc1ccc(c(c1)C(=O)N[*:1])N1CCCC1=O
COCC[NH2+]Cc1ncoc1-c1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)-c1ocnc1C[NH2+][*:1]
COCC[NH2+]Cc1ncoc1-c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)-c1ocnc1C[NH2+]C[*:1]
COC(=O)c1ccc2c(c1)NC(=O)CO2 COC(=O)[*:1] O=C1COc2ccc(cc2N1)[*:1]
Cc1cc2occ(CC(=O)Nc3c(C)cccc3C)c2cc1C(C)C CC(C)[*:1] Cc1cc2occ(CC(=O)Nc3c(C)cccc3C)c2cc1[*:1]
Cc1cc2occ(CC(=O)Nc3c(C)cccc3C)c2cc1C(C)C Cc1cccc(C)c1[*:1] Cc1cc2occ(CC(=O)N[*:1])c2cc1C(C)C
C[C@H]1CN(S(=O)(=O)Cc2ccccc2)CCN1S(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CN(CCN1S(=O)(=O)C[*:1])S(=O)(=O)Cc1ccccc1
C[C@H]1CN(S(=O)(=O)Cc2ccccc2)CCN1S(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CN(CCN1S(=O)(=O)Cc1ccccc1)S(=O)(=O)C[*:1]
C[C@H]1CN(S(=O)(=O)Cc2ccccc2)CCN1S(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1CN(CCN1S(=O)(=O)Cc1ccccc1)S(=O)(=O)[*:1]
C[C@H]1CN(S(=O)(=O)Cc2ccccc2)CCN1S(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1CN(CCN1S(=O)(=O)[*:1])S(=O)(=O)Cc1ccccc1
CS(=O)(=O)c1cccc(OCC(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CS(=O)(=O)c1cccc(c1)OCC(=O)NC[*:1]
CS(=O)(=O)c1cccc(OCC(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] CS(=O)(=O)c1cccc(c1)OCC(=O)N[*:1]
CS(=O)(=O)c1cccc(OCC(=O)NC[C@H]2CCCO2)c1 CS(=O)(=O)[*:1] O=C(COc1cccc(c1)[*:1])NC[C@H]1CCCO1
O=C(NCCCC(=O)N1CCc2ccccc21)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCCNC(=O)[*:1])N1CCc2ccccc21
O=[N+]([O-])c1cnc(Oc2ccc3nccnc3c2)c(Br)c1 O=[N+]([O-])[*:1] Brc1cc(cnc1Oc1ccc2nccnc2c1)[*:1]
COc1ccc(OCC(=O)N2CCN(c3nc4c(OC)ccc(OC)c4s3)CC2)cc1 COc1ccc(cc1)OC[*:1] COc1ccc(OC)c2sc(nc12)N1CCN(CC1)C(=O)[*:1]
COc1ccc(OCC(=O)N2CCN(c3nc4c(OC)ccc(OC)c4s3)CC2)cc1 COc1ccc(cc1)O[*:1] COc1ccc(OC)c2sc(nc12)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(OCC(=O)N2CCN(c3nc4c(OC)ccc(OC)c4s3)CC2)cc1 COc1ccc(cc1)[*:1] COc1ccc(OC)c2sc(nc12)N1CCN(CC1)C(=O)CO[*:1]
COC(=O)[C@H](OC(=O)c1cc2ccccc2cc1O)c1ccccc1 COC(=O)[*:1] O=C(O[C@H](c1ccccc1)[*:1])c1cc2ccccc2cc1O
COC(=O)[C@H](OC(=O)c1cc2ccccc2cc1O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](OC(=O)c1cc2ccccc2cc1O)[*:1]
COCc1cc(C)nc2sc3c(=O)n(-c4ccc(F)cc4)nnc3c12 Fc1ccc(cc1)[*:1] COCc1cc(C)nc2sc3c(=O)n(nnc3c12)[*:1]
COCc1cc(C)nc2sc3c(=O)n(-c4ccc(F)cc4)nnc3c12 COC[*:1] Cc1cc(c2c(n1)sc1c(=O)n(nnc12)-c1ccc(F)cc1)[*:1]
COC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c(C[*:1])c(C)c12
COC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 COC(=O)[*:1] Cc1cc(O[C@H](C)[*:1])c2c(C)c(Cc3ccccc3)c(=O)oc2c1
COC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 c1ccc(cc1)C[*:1] COC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c(c(C)c12)[*:1]
O=C([O-])[C@@H]1CN(c2nc(-c3ccccc3)no2)CC[NH2+]1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1CN(CC[NH2+]1)c1nc(no1)[*:1]
O=C([O-])[C@@H]1CN(c2nc(-c3ccccc3)no2)CC[NH2+]1 O=C([O-])[*:1] c1ccc(cc1)-c1noc(n1)N1CC[NH2+][C@@H](C1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(C(=O)c3ccco3)CC2)c1 CC(=O)c1cccc(c1)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1ccco1
CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(C(=O)c3ccco3)CC2)c1 CC(=O)[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])N1CCN(CC1)C(=O)c1ccco1
CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(C(=O)c3ccco3)CC2)c1 c1coc(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H](C)N1CCN(CC1)C(=O)[*:1]
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)[*:1] C[NH+](C)C[C@H](C[*:1])NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)C[*:1] C[NH+](C)C[C@H](NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
O=C(C[C@@H]1CCCO1)NCCCO OCC[*:1] O=C(C[C@@H]1CCCO1)NC[*:1]
O=C(C[C@@H]1CCCO1)NCCCO OCCC[*:1] O=C(C[C@@H]1CCCO1)N[*:1]
C[C@@H]1CN(CC#N)C[C@@H](C)O1 N#CC[*:1] C[C@@H]1CN(C[C@@H](C)O1)[*:1]
COc1cc(CNc2ccc(C)cc2OC)c([N+](=O)[O-])cc1O O=[N+]([O-])[*:1] COc1cc(CNc2ccc(C)cc2OC)c(cc1O)[*:1]
CCOC[C@@H]1CCCN(C(=O)NC[C@@H](OC)c2ccc(F)cc2)C1 CCOC[*:1] CO[C@H](CNC(=O)N1CCC[C@H](C1)[*:1])c1ccc(F)cc1
CCOC[C@@H]1CCCN(C(=O)NC[C@@H](OC)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)NC[C@@H](OC)[*:1]
CCOC[C@@H]1CCCN(C(=O)NC[C@@H](OC)c2ccc(F)cc2)C1 CCO[*:1] CO[C@H](CNC(=O)N1CCC[C@H](C1)C[*:1])c1ccc(F)cc1
O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(CCc1ncc(o1)-c1ccc(F)cc1F)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 Fc1ccc(c(F)c1)[*:1] O=C(CCc1ncc(o1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1Cl
CSCC[C@@H]1N[C@@]2(C(=O)Nc3c2ccc(C)c3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 C1CCC(C1)[*:1] CSCC[C@@H]1N[C@@]2(C(=O)Nc3c2ccc(C)c3C)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
CSCC[C@@H]1N[C@@]2(C(=O)Nc3c2ccc(C)c3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 CSCC[*:1] Cc1ccc2c(NC(=O)[C@@]23N[C@H]([C@H]2C(=O)N(C(=O)[C@H]23)C2CCCC2)[*:1])c1C
CSCC[C@@H]1N[C@@]2(C(=O)Nc3c2ccc(C)c3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 CSC[*:1] Cc1ccc2c(NC(=O)[C@@]23N[C@@H](C[*:1])[C@H]2C(=O)N(C(=O)[C@H]23)C2CCCC2)c1C
C[C@H]1CC(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)C[C@H](C)O1 Fc1cccc(c1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCCC[C@@H]1c1ncc([nH]1)[*:1]
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCOc2ccc(Cl)cc2Br)C1=O O=[N+]([O-])c1cccc(c1)[*:1] C[C@]1(NC(=O)N(CCOc2ccc(Cl)cc2Br)C1=O)[*:1]
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCOc2ccc(Cl)cc2Br)C1=O O=[N+]([O-])[*:1] C[C@]1(NC(=O)N(CCOc2ccc(Cl)cc2Br)C1=O)c1cccc(c1)[*:1]
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCOc2ccc(Cl)cc2Br)C1=O Clc1ccc(c(Br)c1)[*:1] C[C@]1(NC(=O)N(CCO[*:1])C1=O)c1cccc(c1)[N+](=O)[O-]
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCOc2ccc(Cl)cc2Br)C1=O Clc1ccc(O[*:1])c(Br)c1 C[C@]1(NC(=O)N(CC[*:1])C1=O)c1cccc(c1)[N+](=O)[O-]
O=C([O-])[C@@H]1[NH2+]CC[C@H]1c1cc(F)c(F)c(F)c1 O=C([O-])[*:1] Fc1cc(cc(F)c1F)[C@@H]1CC[NH2+][C@H]1[*:1]
CSCc1nc2ccccc2n1CC(=O)NC[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] CSCc1nc2ccccc2n1CC(=O)NC[*:1]
CSCc1nc2ccccc2n1CC(=O)NC[C@H]1CCOC1 CSC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])NC[C@H]1CCOC1
CSCc1nc2ccccc2n1CC(=O)NC[C@H]1CCOC1 C1C[C@@H](CO1)C[*:1] CSCc1nc2ccccc2n1CC(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3cccnc3)n2N)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](Sc1nnc(-c2cccnc2)n1N)[*:1]
Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3cccnc3)n2N)c2ccccc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](Sc1nnc(n1N)[*:1])c1ccccc1
Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3cccnc3)n2N)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1-c1cccnc1)S[C@H](C(=O)N[*:1])c1ccccc1
Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3cccnc3)n2N)c2ccccc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] Nn1c(nnc1-c1cccnc1)S[C@@H](c1ccccc1)[*:1]
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] N#Cc1cccc(c1)COc1ccc(cc1)NC(=O)[*:1]
Cc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)c(C)o1 N#Cc1cccc(c1)[*:1] Cc1cc(C(=O)Nc2ccc(cc2)OC[*:1])c(C)o1
C#CCN1CCN(C[C@H](O)COc2ccccc2C)CC1 Cc1ccccc1[*:1] C#CCN1CCN(CC1)C[C@H](O)CO[*:1]
C#CCN1CCN(C[C@H](O)COc2ccccc2C)CC1 C#CC[*:1] Cc1ccccc1OC[C@@H](O)CN1CCN(CC1)[*:1]
O=C([O-])C1(Cc2cc(F)cc(Br)c2)CCCCCC1 O=C([O-])[*:1] Fc1cc(Br)cc(c1)CC1(CCCCCC1)[*:1]
Cn1c(-c2ccccn2)nn(CCNC(=O)c2cccc(Cl)c2)c1=O c1ccc(nc1)[*:1] Cn1c(nn(CCNC(=O)c2cccc(Cl)c2)c1=O)[*:1]
Cn1c(-c2ccccn2)nn(CCNC(=O)c2cccc(Cl)c2)c1=O Clc1cccc(c1)[*:1] Cn1c(nn(CCNC(=O)[*:1])c1=O)-c1ccccn1
COCCN1C(=O)C[C@](CC(=O)N2CCC[C@@H](C(C)=O)C2)(c2ccccc2F)C1=O Fc1ccccc1[*:1] COCCN1C(=O)C[C@](CC(=O)N2CCC[C@H](C2)C(C)=O)(C1=O)[*:1]
COCCN1C(=O)C[C@](CC(=O)N2CCC[C@@H](C(C)=O)C2)(c2ccccc2F)C1=O CC(=O)[*:1] COCCN1C(=O)C[C@@](CC(=O)N2CCC[C@@H](C2)[*:1])(C1=O)c1ccccc1F
COCCN1C(=O)C[C@](CC(=O)N2CCC[C@@H](C(C)=O)C2)(c2ccccc2F)C1=O COC[*:1] CC(=O)[C@@H]1CCCN(C1)C(=O)C[C@@]1(CC(=O)N(C[*:1])C1=O)c1ccccc1F
COCCN1C(=O)C[C@](CC(=O)N2CCC[C@@H](C(C)=O)C2)(c2ccccc2F)C1=O COCC[*:1] CC(=O)[C@@H]1CCCN(C1)C(=O)C[C@@]1(CC(=O)N(C1=O)[*:1])c1ccccc1F
Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccccc3C)[C@@](C)(C(=O)NC3CCCCC3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1N1C(=O)CN(C[C@]1(C)C(=O)NC1CCCCC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccccc3C)[C@@](C)(C(=O)NC3CCCCC3)C2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CC(=O)N(c2ccccc2C)[C@](C)(C1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccccc3C)[C@@](C)(C(=O)NC3CCCCC3)C2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CC(=O)N([C@](C)(C1)C(=O)NC1CCCCC1)[*:1]
Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccccc3C)[C@@](C)(C(=O)NC3CCCCC3)C2)cc1 O=C(NC1CCCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CC(=O)N(c2ccccc2C)[C@@](C)(C1)[*:1]
c1ccc2sc(-c3cc(NCCN4CCOCC4)nc4ccccc34)nc2c1 c1ccc2sc(nc2c1)[*:1] c1ccc2c(cc(nc2c1)NCCN1CCOCC1)[*:1]
c1ccc2sc(-c3cc(NCCN4CCOCC4)nc4ccccc34)nc2c1 C1CN(CCO1)CC[*:1] c1ccc2sc(nc2c1)-c1cc(nc2ccccc12)N[*:1]
c1ccc2sc(-c3cc(NCCN4CCOCC4)nc4ccccc34)nc2c1 C1CN(CCO1)C[*:1] c1ccc2sc(nc2c1)-c1cc(nc2ccccc12)NC[*:1]
c1ccc2sc(-c3cc(NCCN4CCOCC4)nc4ccccc34)nc2c1 C1CN(CCO1)[*:1] c1ccc2sc(nc2c1)-c1cc(nc2ccccc12)NCC[*:1]
c1ccc2sc(-c3cc(NCCN4CCOCC4)nc4ccccc34)nc2c1 C(CN1CCOCC1)N[*:1] c1ccc2sc(nc2c1)-c1cc(nc2ccccc12)[*:1]
Cc1nc(C(=O)NCC2(c3cccs3)CCOCC2)cs1 c1csc(c1)[*:1] Cc1nc(cs1)C(=O)NCC1(CCOCC1)[*:1]
Cc1nc(C(=O)NCC2(c3cccs3)CCOCC2)cs1 Cc1nc(cs1)[*:1] O=C(NCC1(CCOCC1)c1cccs1)[*:1]
O=C(CN1C(=O)CCC1=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 O=C1CCC(=O)N1[*:1] O=C(C[*:1])N1CCN(CC1)C[C@@H](O)c1ccccc1
O=C(CN1C(=O)CCC1=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CN1C(=O)CCC1=O)N1CCN(CC1)C[C@@H](O)[*:1]
O=C(CN1C(=O)CCC1=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 O=C1CCC(=O)N1C[*:1] O=C(N1CCN(CC1)C[C@@H](O)c1ccccc1)[*:1]
O=C(CN1C(=O)CCC1=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 O[C@@H](c1ccccc1)[*:1] O=C(CN1C(=O)CCC1=O)N1CCN(CC1)C[*:1]
CCCN1C(=O)CCc2cc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)ccc21 CCC[*:1] Cn1c(Nc2ccc3c(c2)CCC(=O)N3[*:1])c(C#N)c(=O)n(C)c1=O
CC[NH2+]Cc1ccc(OC(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[NH2+]Cc1ccc(OC(C)C)c(c1)[*:1]
CC[NH2+]Cc1ccc(OC(C)C)c([N+](=O)[O-])c1 CC(C)O[*:1] CC[NH2+]Cc1ccc(c(c1)[N+](=O)[O-])[*:1]
CC[NH2+]Cc1ccc(OC(C)C)c([N+](=O)[O-])c1 CC(C)[*:1] CC[NH2+]Cc1ccc(O[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(C(C)(C)CC(=O)NCc2csc(=O)[nH]2)cc1 Cc1ccc(cc1)[*:1] CC(C)(CC(=O)NCc1csc(=O)[nH]1)[*:1]
Cc1ccc(C(C)(C)CC(=O)NCc2csc(=O)[nH]2)cc1 O=c1[nH]c(cs1)C[*:1] Cc1ccc(cc1)C(C)(C)CC(=O)N[*:1]
Cc1ccc(C(C)(C)CC(=O)NCc2csc(=O)[nH]2)cc1 O=c1[nH]c(cs1)[*:1] Cc1ccc(cc1)C(C)(C)CC(=O)NC[*:1]
Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)no1 Cc1cc(no1)[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[*:1]
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)[C@H]1C(C#N)=C(N)Oc2cc(C)n(c(=O)c21)[*:1]
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c2c(=O)n1Cc1ccccc1)[*:1]
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1C(C#N)=C(N)Oc2cc(C)n(C[*:1])c(=O)c21
COC(=O)[C@H](C)[C@@H](NC(=O)c1sccc1C)c1ccccc1 COC(=O)[C@H](C)[*:1] Cc1ccsc1C(=O)N[C@@H](c1ccccc1)[*:1]
COC(=O)[C@H](C)[C@@H](NC(=O)c1sccc1C)c1ccccc1 COC(=O)[*:1] Cc1ccsc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)[*:1]
COC(=O)[C@H](C)[C@@H](NC(=O)c1sccc1C)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)[C@@H](NC(=O)c1sccc1C)[*:1]
COC(=O)[C@H](C)[C@@H](NC(=O)c1sccc1C)c1ccccc1 Cc1ccsc1[*:1] COC(=O)[C@H](C)[C@@H](NC(=O)[*:1])c1ccccc1
O=C1N(c2ccc(Br)cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1N(c2ccc(Br)cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
O=C1N(c2ccc(Br)cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 Brc1ccc(cc1)[*:1] O=C1N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)CCC(F)(F)F N#CC[*:1] C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC(F)(F)F)C[*:1]
C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)CCC(F)(F)F N#CCC[*:1] C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC(F)(F)F)[*:1]
C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)CCC(F)(F)F FC(F)(F)CC[*:1] C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)[*:1]
C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)CCC(F)(F)F FC(F)(F)C[*:1] C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)C[*:1]
C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)CCC(F)(F)F FC(F)(F)[*:1] C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)CC[*:1]
CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 CCCCO[*:1] N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccccc1[*:1]
CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 CCCC[*:1] N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccccc1O[*:1]
CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 CCC[*:1] N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccccc1OC[*:1]
CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 c1ccc(cc1)[*:1] CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(c21)[*:1]
COC[C@H](O)CN(C)C(=O)CCc1ccc(Br)c(C)c1 COC[C@H](O)C[*:1] Cc1cc(ccc1Br)CCC(=O)N(C)[*:1]
COC[C@H](O)CN(C)C(=O)CCc1ccc(Br)c(C)c1 COC[C@H](O)[*:1] Cc1cc(ccc1Br)CCC(=O)N(C)C[*:1]
COC[C@H](O)CN(C)C(=O)CCc1ccc(Br)c(C)c1 COC[*:1] Cc1cc(ccc1Br)CCC(=O)N(C)C[C@@H](O)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nc(C2CC2)no1 CC(C)[*:1] O=C(N[C@@H](c1nc(no1)C1CC1)[*:1])c1ccc(cc1)-n1ccnn1
CC(C)[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)-n1ccnn1)c1nc(no1)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nc(C2CC2)no1 c1cn(nn1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)[*:1])c1nc(no1)C1CC1
CC(C)[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
O=C(N[C@H](Cn1cncn1)c1ccccc1)N1CCC[C@@H](CO)C1 c1ccc(cc1)[*:1] O=C(N[C@H](Cn1cncn1)[*:1])N1CCC[C@@H](CO)C1
O=C(N[C@H](Cn1cncn1)c1ccccc1)N1CCC[C@@H](CO)C1 c1ncn(n1)[*:1] O=C(N[C@H](C[*:1])c1ccccc1)N1CCC[C@@H](CO)C1
O=C(N[C@H](Cn1cncn1)c1ccccc1)N1CCC[C@@H](CO)C1 c1ncn(C[*:1])n1 O=C(N[C@H](c1ccccc1)[*:1])N1CCC[C@@H](CO)C1
COc1cc(I)c(C(=O)NNC(=O)c2ccc(C)s2)cc1OC Cc1ccc(s1)[*:1] COc1cc(I)c(cc1OC)C(=O)NNC(=O)[*:1]
C[C@H](NC(=O)N[C@H]1CCC[C@@H]1CO)c1nnc2ccccn12 OC[C@H]1CCC[C@@H]1[*:1] C[C@H](NC(=O)N[*:1])c1nnc2ccccn12
CC(=O)N1CCC([C@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)C[*:1] CC(=O)N1CCC(CC1)[C@H]1CC=CCN(C1=O)[*:1]
CC(=O)N1CCC([C@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)[C@H]1CC=CCN(C[*:1])C1=O
Cc1[nH+]n(C)c(N(C)C)c1CNCc1cccc(C[NH+](C)C)c1 CN(C)[*:1] Cc1[nH+]n(C)c(c1CNCc1cccc(c1)C[NH+](C)C)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 CCC(=O)N[*:1] Cc1noc([N-]S(=O)(=O)c2ccc(cc2)[*:1])c1C
COc1ccc(CNC(=O)[C@H](C)CCc2ccccc2F)cn1 Fc1ccccc1[*:1] COc1ccc(cn1)CNC(=O)[C@H](C)CC[*:1]
Cc1nc(Nc2ccccc2F)c2c3c(sc2n1)CCC3 Fc1ccccc1[*:1] Cc1nc(N[*:1])c2c3CCCc3sc2n1
Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])Cc3c[nH]cn3)ccc12 c1nc(c[nH]1)[*:1] Cc1cc(=O)oc2cc(ccc12)NC(=O)[C@@H]([NH3+])C[*:1]
Cc1c(NC(=O)C(=O)NCC2(C)Cc3ccccc3C2)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)NCC1(C)Cc2ccccc2C1
O=S(=O)(Nc1ccc(-c2noc(-c3ccco3)n2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)-c1noc(n1)-c1ccco1)[*:1]
O=S(=O)(Nc1ccc(-c2noc(-c3ccco3)n2)cc1)c1ccccc1 c1coc(c1)[*:1] O=S(=O)(Nc1ccc(cc1)-c1noc(n1)[*:1])c1ccccc1
CCCCN(CC(N)=O)C(=O)/C=C/c1ccc(Br)s1 NC(=O)[*:1] CCCCN(C[*:1])C(=O)/C=C/c1ccc(Br)s1
CCCCN(CC(N)=O)C(=O)/C=C/c1ccc(Br)s1 NC(=O)C[*:1] CCCCN(C(=O)/C=C/c1ccc(Br)s1)[*:1]
CCCCN(CC(N)=O)C(=O)/C=C/c1ccc(Br)s1 CCCC[*:1] NC(=O)CN(C(=O)/C=C/c1ccc(Br)s1)[*:1]
CCCCN(CC(N)=O)C(=O)/C=C/c1ccc(Br)s1 Brc1ccc(s1)[*:1] CCCCN(CC(N)=O)C(=O)C=C[*:1]
CCCCN(CC(N)=O)C(=O)/C=C/c1ccc(Br)s1 CCC[*:1] NC(=O)CN(C[*:1])C(=O)/C=C/c1ccc(Br)s1
C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C[*:1]
C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)[*:1]
C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)CC[*:1]
Cc1cncc(NC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1 Cc1cncc(c1)[*:1] O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)N[*:1]
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2SCC)sc(C)c1C CCSc1ccccc1[*:1] CCOC(=O)NC(=O)c1c(NC(=O)[*:1])sc(C)c1C
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2SCC)sc(C)c1C CCOC(=O)NC(=O)[*:1] CCSc1ccccc1C(=O)Nc1sc(C)c(C)c1[*:1]
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2SCC)sc(C)c1C CCS[*:1] CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2[*:1])sc(C)c1C
Cc1cc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)ccc1F C1CCN(C1)[*:1] Cc1cc(ccc1F)C[NH2+][C@H](C)c1cccc(c1)[*:1]
CCC[NH2+][C@@H]1[C@H](N2CCN(CC)CC2)CCCC1(C)C CCC[*:1] CCN1CCN(CC1)[C@@H]1CCCC(C)(C)[C@@H]1[NH2+][*:1]
C[C@@H]1CC[C@H](NC(=O)Nc2cc(C(=O)N(C)C)ccc2F)[C@H](C)C1 CN(C)C(=O)[*:1] C[C@@H]1CC[C@H](NC(=O)Nc2cc(ccc2F)[*:1])[C@H](C)C1
C[C@H](NC(=O)Nc1ccc(C(N)=O)nc1)c1ccc(Cl)s1 NC(=O)[*:1] C[C@H](NC(=O)Nc1ccc(nc1)[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)Nc1ccc(C(N)=O)nc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)Nc1ccc(nc1)C(N)=O)[*:1]
C#CCn1c(C)cc(CC)c1C#N C#CC[*:1] CCc1cc(C)n(c1C#N)[*:1]
Cc1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1C CC(C)[*:1] Cc1ccc(cc1C)C(=O)[C@@H](C#N)c1nc(cs1)[*:1]
Cc1cc(OC(=O)CCCNC(=O)C2CC2)cc(C)c1Cl O=C(NC[*:1])C1CC1 Cc1cc(cc(C)c1Cl)OC(=O)CC[*:1]
Cc1cc(OC(=O)CCCNC(=O)C2CC2)cc(C)c1Cl C1CC1[*:1] Cc1cc(cc(C)c1Cl)OC(=O)CCCNC(=O)[*:1]
Cc1cc(OC(=O)CCCNC(=O)C2CC2)cc(C)c1Cl O=C(N[*:1])C1CC1 Cc1cc(cc(C)c1Cl)OC(=O)CCC[*:1]
Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccccc2[*:1])c1C
Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])c1C Cc1cccc(c1C)[*:1] CN(CC(=O)N[*:1])C(=O)Cc1ccccc1[N+](=O)[O-]
CC(=O)Oc1ccc2nc(CCCOc3ccc(Cl)cc3Cl)oc(=O)c2c1 Clc1ccc(c(Cl)c1)[*:1] CC(=O)Oc1ccc2nc(CCCO[*:1])oc(=O)c2c1
CC(=O)Oc1ccc2nc(CCCOc3ccc(Cl)cc3Cl)oc(=O)c2c1 Clc1ccc(O[*:1])c(Cl)c1 CC(=O)Oc1ccc2nc(CCC[*:1])oc(=O)c2c1
CC(=O)Oc1ccc2nc(CCCOc3ccc(Cl)cc3Cl)oc(=O)c2c1 CC(=O)O[*:1] O=c1oc(CCCOc2ccc(Cl)cc2Cl)nc2ccc(cc12)[*:1]
COc1ccc([C@@H](CNC(=O)c2cccc(N(C)C)c2)c2c[nH]c3ccccc23)cc1 COc1ccc(cc1)[*:1] CN(C)c1cccc(c1)C(=O)NC[C@@H](c1c[nH]c2ccccc12)[*:1]
COc1ccc([C@@H](CNC(=O)c2cccc(N(C)C)c2)c2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1cccc(c1)N(C)C)[*:1]
COc1ccc([C@@H](CNC(=O)c2cccc(N(C)C)c2)c2c[nH]c3ccccc23)cc1 CN(C)c1cccc(c1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)[*:1])c1c[nH]c2ccccc12
COc1ccc([C@@H](CNC(=O)c2cccc(N(C)C)c2)c2c[nH]c3ccccc23)cc1 CN(C)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1cccc(c1)[*:1])c1c[nH]c2ccccc12
C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)[*:1]
C/[NH+]=C(/NCCOc1cccnc1)N[C@@H]1CCOc2ccccc21 c1cncc(c1)[*:1] C/[NH+]=C(/NCCO[*:1])N[C@@H]1CCOc2ccccc21
C/[NH+]=C(/NCCOc1cccnc1)N[C@@H]1CCOc2ccccc21 c1cncc(c1)OC[*:1] C/[NH+]=C(/NC[*:1])N[C@@H]1CCOc2ccccc21
C/[NH+]=C(/NCCOc1cccnc1)N[C@@H]1CCOc2ccccc21 c1cncc(c1)O[*:1] C/[NH+]=C(/NCC[*:1])N[C@@H]1CCOc2ccccc21
CC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@@H]3CC[C@@]21C CC(=O)[*:1] C[C@]12CC(=O)CC[C@@H]1CC[C@@H]1[C@@H]3CC[C@H]([C@@]3(C)CC[C@H]12)[*:1]
O=C(c1csc(-c2ccsc2)n1)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1csc(n1)-c1ccsc1)N1CC[C@H](C1)[*:1]
O=C(c1csc(-c2ccsc2)n1)N1CC[C@H](c2ccccc2)C1 c1cc(cs1)[*:1] O=C(c1csc(n1)[*:1])N1CC[C@@H](C1)c1ccccc1
Cn1cc(Nc2cccc(NC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)c2)cn1 Cn1cc(cn1)[*:1] O=C(Nc1cccc(c1)N[*:1])[C@@H]1CCCN(C1)C(=O)Cc1ccccc1
Cn1cc(Nc2cccc(NC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)c2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)Nc1cccc(c1)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cn1cc(Nc2cccc(NC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)c2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)Nc1cccc(c1)NC(=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cn1cc(Nc2cccc(NC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)c2)cn1 Cn1cc(cn1)N[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CCCN(C1)C(=O)Cc1ccccc1
C[C@@H]1CSC(N(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccc(Cl)cc2)=N1 c1ccc(cc1)[*:1] C[C@@H]1CSC(=N1)N(C(=O)c1cn(nc1-c1cccnc1)[*:1])c1ccc(Cl)cc1
C[C@@H]1CSC(N(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccc(Cl)cc2)=N1 Clc1ccc(cc1)[*:1] C[C@@H]1CSC(=N1)N(C(=O)c1cn(nc1-c1cccnc1)-c1ccccc1)[*:1]
C[C@@H]1CSC(N(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccc(Cl)cc2)=N1 c1cncc(c1)[*:1] C[C@@H]1CSC(=N1)N(C(=O)c1cn(nc1[*:1])-c1ccccc1)c1ccc(Cl)cc1
Cc1ccc([C@@H](CO)[C@@H]2CS(=O)(=O)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=S1(=O)C[C@H](c2ccccc21)[C@H](CO)[*:1]
O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 Clc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc(Br)cc1
O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(C1)[*:1]
COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)[NH+]1CCCC1 N#Cc1cc(ccc1Cl)[*:1] COc1ccccc1[C@H](CNS(=O)(=O)[*:1])[NH+]1CCCC1
COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)[NH+]1CCCC1 COc1ccccc1[*:1] N#Cc1cc(ccc1Cl)S(=O)(=O)NC[C@H]([NH+]1CCCC1)[*:1]
C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C[C@H](C)O1 FC(F)(F)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CCC(=O)C[C@@H]1CC[C@@H](C)[C@H](C)C1 CCC(=O)[*:1] C[C@@H]1CC[C@H](C[C@H]1C)C[*:1]
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cccn1C)[NH+](C)C Cn1cccc1[*:1] Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cccn1C)[NH+](C)C Cc1c(Cl)cccc1[*:1] Cn1cccc1[C@@H](CNC(=O)C(=O)N[*:1])[NH+](C)C
O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cn1c(=O)c2nncn2c2ccccc21)N[*:1]
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)c(Br)c2)C(C#N)=C(N)O3)cc1 Fc1ccc(cc1Br)[*:1] Cc1ccc(cc1)-c1n[nH]c2OC(N)=C(C#N)[C@@H](c12)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)c(Br)c2)C(C#N)=C(N)O3)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@@H]1c1ccc(F)c(Br)c1)[*:1]
Cc1cc([C@H](Br)C(C)(C)S(C)(=O)=O)ccc1F CS(=O)(=O)[*:1] Cc1cc(ccc1F)[C@H](Br)C(C)(C)[*:1]
O=C([O-])CC[C@@]12CCCC[C@]1(O)OC(=O)CC2 O=C([O-])[*:1] O=C1CC[C@@]2(CCCC[C@]2(O)O1)CC[*:1]
O=C([O-])CC[C@@]12CCCC[C@]1(O)OC(=O)CC2 O=C([O-])CC[*:1] O=C1CC[C@]2(CCCC[C@]2(O)O1)[*:1]
O=C([O-])CC[C@@]12CCCC[C@]1(O)OC(=O)CC2 O=C([O-])C[*:1] O=C1CC[C@@]2(CCCC[C@]2(O)O1)C[*:1]
CN1CCC([NH+](C)CCC(=O)[O-])CC1 O=C([O-])C[*:1] CN1CCC(CC1)[NH+](C)C[*:1]
CN1CCC([NH+](C)CCC(=O)[O-])CC1 O=C([O-])[*:1] CN1CCC(CC1)[NH+](C)CC[*:1]
CCCn1nc(C)c(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1C CN1CCN(CC1)C(=O)[*:1] CCCn1nc(C)c(C[NH+]2CCC(CC2)C[*:1])c1C
CCCn1nc(C)c(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1C CCC[*:1] Cc1nn(c(C)c1C[NH+]1CCC(CC1)CC(=O)N1CCN(C)CC1)[*:1]
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=C1S/C(=C/c2ccc(o2)-c2cccc(c2)C(F)(F)F)C(=O)N1[*:1]
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O)N1CCOCC1 FC(F)(F)[*:1] O=C(CN1C(=O)S/C(=C/c2ccc(o2)-c2cccc(c2)[*:1])C1=O)N1CCOCC1
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O)N1CCOCC1 FC(F)(F)c1cccc(c1)[*:1] O=C(CN1C(=O)S/C(=C/c2ccc(o2)[*:1])C1=O)N1CCOCC1
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C1S/C(=C/c2ccc(o2)-c2cccc(c2)C(F)(F)F)C(=O)N1C[*:1]
COCc1cc(C(=O)[O-])ccc1F O=C([O-])[*:1] COCc1cc(ccc1F)[*:1]
COCc1cc(C(=O)[O-])ccc1F COC[*:1] O=C([O-])c1ccc(F)c(c1)[*:1]
CCc1nc(CCNc2ncnc3sc(C)c(C)c23)no1 CCc1nc(no1)[*:1] Cc1sc2ncnc(NCC[*:1])c2c1C
Cc1cc(OC(F)F)c(C(=O)Nc2nccn(C)c2=O)s1 FC(F)O[*:1] Cc1cc(c(s1)C(=O)Nc1nccn(C)c1=O)[*:1]
Cc1cc(OC(F)F)c(C(=O)Nc2nccn(C)c2=O)s1 FC(F)[*:1] Cc1cc(O[*:1])c(s1)C(=O)Nc1nccn(C)c1=O
C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1nc(cs1)[*:1]
C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 C1CCC(CC1)[*:1] C[C@@H](Sc1nnc(n1N)[*:1])C(=O)Nc1nc(cs1)-c1cccc(c1)[N+](=O)[O-]
C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=[N+]([O-])[*:1] C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1nc(cs1)-c1cccc(c1)[*:1]
C[C@H]1CCC[C@@H](O[C@@H](C)C(=O)Nc2nccn(C)c2=O)C1 C[C@H]1CCC[C@@H](C1)[*:1] C[C@H](O[*:1])C(=O)Nc1nccn(C)c1=O
O=C1C[C@H](C(=O)NCCC2=CCCCC2)Cc2nc(NC(=O)c3c(F)cccc3Cl)sc21 Fc1cccc(Cl)c1[*:1] O=C1C[C@@H](Cc2nc(NC(=O)[*:1])sc21)C(=O)NCCC1=CCCCC1
Cc1ccc(CC(N)=S)cc1 NC(=S)[*:1] Cc1ccc(cc1)C[*:1]
CC(=O)c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)OC(=O)[C@@H]1C[C@H]1[*:1]
CC(=O)c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 CC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])[C@@H]1C[C@@H]1c1ccc(F)cc1
Cc1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nnc(S[C@@H](C)C(=O)N(C)[*:1])s1
Cc1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)s1 Cc1nnc(s1)[*:1] C[C@H](S[*:1])C(=O)N(C)c1ccccc1
O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])Nc1cccc(F)c1
O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cc1csc(n1)-c1ccccc1)N[*:1]
C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)[*:1]
CCSC1(CNC(=O)c2cccc(CC)c2O)CCOCC1 CCS[*:1] CCc1cccc(C(=O)NCC2(CCOCC2)[*:1])c1O
Cn1cc(CN[C@@H]2CC[C@@H]([NH+](C)C)C2)c(-c2ccncc2)n1 c1cc(ccn1)[*:1] Cn1cc(CN[C@@H]2CC[C@H](C2)[NH+](C)C)c(n1)[*:1]
COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1Br C[C@@H](c1ccccc1)[*:1] COc1ccc(cc1Br)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1Br COc1ccc(cc1Br)[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)[*:1])c1ccccc1
COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1Br c1ccc(cc1)[*:1] COc1ccc(cc1Br)C(=O)Nc1ccc(cc1)C(=O)N[C@@H](C)[*:1]
Cc1ccc(Cc2nc(CCNC(=O)c3c(F)cccc3F)n[nH]2)cc1 Cc1ccc(cc1)C[*:1] O=C(NCCc1n[nH]c(n1)[*:1])c1c(F)cccc1F
Cc1ccc(Cc2nc(CCNC(=O)c3c(F)cccc3F)n[nH]2)cc1 Fc1cccc(F)c1[*:1] Cc1ccc(cc1)Cc1nc(CCNC(=O)[*:1])n[nH]1
Cc1ccc(Cc2nc(CCNC(=O)c3c(F)cccc3F)n[nH]2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1n[nH]c(C[*:1])n1)c1c(F)cccc1F
COC(=O)c1ccccc1OC(=O)c1nn(C)c(=O)c2ccccc12 COC(=O)[*:1] Cn1nc(C(=O)Oc2ccccc2[*:1])c2ccccc2c1=O
CC(=O)c1cnc(NC(=O)[C@@H](C)CCc2ccccc2F)s1 CC(=O)[*:1] C[C@@H](CCc1ccccc1F)C(=O)Nc1ncc(s1)[*:1]
CC(=O)c1cnc(NC(=O)[C@@H](C)CCc2ccccc2F)s1 Fc1ccccc1[*:1] CC(=O)c1cnc(NC(=O)[C@@H](C)CC[*:1])s1
C[C@H](OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] C[C@H](OC[C@@H]1CCCN(C1)C(=O)OC(C)(C)C)[*:1]
C[C@H](OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1 CC(C)(C)[*:1] C[C@H](OC[C@@H]1CCCN(C1)C(=O)O[*:1])c1ccc[nH]1
O=C(/C=C/c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(C=C[*:1])c1c[nH]c2ccccc12
Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2NCc2ccncc2)n1 Cc1cc(C)n(n1)[*:1] Clc1cc2nc(NCc3ccncc3)c(nc2cc1Cl)[*:1]
Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2NCc2ccncc2)n1 c1cc(ccn1)C[*:1] Cc1cc(C)n(n1)-c1nc2cc(Cl)c(Cl)cc2nc1N[*:1]
Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2NCc2ccncc2)n1 c1cc(ccn1)[*:1] Cc1cc(C)n(n1)-c1nc2cc(Cl)c(Cl)cc2nc1NC[*:1]
Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2NCc2ccncc2)n1 c1cc(ccn1)CN[*:1] Cc1cc(C)n(n1)-c1nc2cc(Cl)c(Cl)cc2nc1[*:1]
Cc1ccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)cc1 O=C(Nc1nccs1)[*:1] Cc1ccc(cc1)NC(=O)Cc1nnc(S[C@@H](C)[*:1])n1C
Cc1ccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)cc1 Cc1ccc(cc1)[*:1] C[C@H](Sc1nnc(CC(=O)N[*:1])n1C)C(=O)Nc1nccs1
Cc1ccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)cc1 c1csc(n1)[*:1] Cc1ccc(cc1)NC(=O)Cc1nnc(S[C@@H](C)C(=O)N[*:1])n1C
O=C(NNC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1cnc(s1)[C@H]1CCCO1
COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4ccccc4F)CC3)n2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-c1ccc(=O)n(CC2CCN(CC2)C(=O)[*:1])n1
COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4ccccc4F)CC3)n2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccc1F)N1CCC(CC1)Cn1nc(ccc1=O)[*:1]
CCCCc1nnc(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)s1 CCC[*:1] COC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(C[*:1])s2)c1C
CCCCc1nnc(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)s1 COC(=O)[*:1] CCCCc1nnc(NC(=O)c2[nH]c(C)c(c2C)[*:1])s1
CCCCc1nnc(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)s1 CCCC[*:1] COC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(s2)[*:1])c1C
Nc1c2c3c(sc2nc[n+]1CCCN1CCOCC1)CCCC3 C1CN(CCO1)[*:1] Nc1c2c3CCCCc3sc2nc[n+]1CCC[*:1]
Nc1c2c3c(sc2nc[n+]1CCCN1CCOCC1)CCCC3 C1CN(CCO1)C[*:1] Nc1c2c3CCCCc3sc2nc[n+]1CC[*:1]
C[C@H](NC(=O)c1cc(C2CC2)on1)c1ccc2c(c1)OCCO2 C1CC1[*:1] C[C@H](NC(=O)c1cc(on1)[*:1])c1ccc2OCCOc2c1
O=C(Nc1c[nH]nc1-c1ccccn1)N1CC[C@H](CO)C1 c1ccc(nc1)[*:1] O=C(Nc1c[nH]nc1[*:1])N1CC[C@H](CO)C1
CC(C)CCc1noc([C@H]2Cc3[nH+]c[nH]c3CN2)n1 CC(C)CC[*:1] c1[nH]c2CN[C@H](Cc2[nH+]1)c1nc(no1)[*:1]
CC(C)CCc1noc([C@H]2Cc3[nH+]c[nH]c3CN2)n1 CC(C)C[*:1] c1[nH]c2CN[C@H](Cc2[nH+]1)c1nc(C[*:1])no1
CC(C)CCc1noc([C@H]2Cc3[nH+]c[nH]c3CN2)n1 CC(C)[*:1] c1[nH]c2CN[C@H](Cc2[nH+]1)c1nc(CC[*:1])no1
C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCN(C1)[*:1]
Cc1nc(COc2ccc(/C=C3\CCc4oc(C(=O)[O-])c(C)c4C3=O)cc2)no1 Cc1nc(no1)[*:1] Cc1c(oc2CC/C(=C\c3ccc(cc3)OC[*:1])C(=O)c21)C(=O)[O-]
Cc1nc(COc2ccc(/C=C3\CCc4oc(C(=O)[O-])c(C)c4C3=O)cc2)no1 O=C([O-])[*:1] Cc1nc(COc2ccc(/C=C3\CCc4oc(c(C)c4C3=O)[*:1])cc2)no1
Cc1nc(COc2ccc(/C=C3\CCc4oc(C(=O)[O-])c(C)c4C3=O)cc2)no1 Cc1nc(C[*:1])no1 Cc1c(oc2CC/C(=C\c3ccc(cc3)O[*:1])C(=O)c21)C(=O)[O-]
Cc1nc(COc2ccc(/C=C3\CCc4oc(C(=O)[O-])c(C)c4C3=O)cc2)no1 Cc1nc(CO[*:1])no1 Cc1c(oc2CC/C(=C\c3ccc(cc3)[*:1])C(=O)c21)C(=O)[O-]
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)CNC(=O)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 COc1ccccc1[*:1] CC(C)CNC(=O)c1ccc(cc1)NC(=O)N1CCC[C@H]1[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)C[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
O=C(c1ccc(CN2CCc3sccc3C2)cc1)N1CCCC1 O=C(N1CCCC1)[*:1] c1cc2CN(CCc2s1)Cc1ccc(cc1)[*:1]
CCc1nc2n(n1)CCC[C@H]2N[C@H]1CCN(c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] CCc1nc2[C@@H](CCCn2n1)N[C@H]1CCN(C1=O)[*:1]
COc1cc(C(C)=O)ccc1OC(=O)c1cccc(N(C)C)c1 CC(=O)[*:1] COc1cc(ccc1OC(=O)c1cccc(c1)N(C)C)[*:1]
COc1cc(C(C)=O)ccc1OC(=O)c1cccc(N(C)C)c1 CN(C)[*:1] COc1cc(ccc1OC(=O)c1cccc(c1)[*:1])C(C)=O
CC[C@@H](CSC)NC(=O)NCc1cccnc1-n1cncn1 CSC[*:1] CC[C@@H](NC(=O)NCc1cccnc1-n1cncn1)[*:1]
CC[C@@H](CSC)NC(=O)NCc1cccnc1-n1cncn1 c1ncn(n1)[*:1] CC[C@@H](CSC)NC(=O)NCc1cccnc1[*:1]
COc1cc(CN2CCOC3(CCCCCC3)C2)c([N+](=O)[O-])cc1O O=[N+]([O-])[*:1] COc1cc(CN2CCOC3(CCCCCC3)C2)c(cc1O)[*:1]
Cc1cc(Br)ccc1N(C)C(=O)/C=C/c1ccco1 c1coc(c1)[*:1] Cc1cc(Br)ccc1N(C)C(=O)C=C[*:1]
C#CCn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cc([N+](=O)[O-])ccc21 C#CC[*:1] O=C(/N=c1\sc2cc(ccc2n1[*:1])[N+](=O)[O-])c1cnc2ccccc2n1
C#CCn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] C#CCn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cc(ccc21)[*:1]
O=C(Nc1cccc(Br)c1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 Brc1cccc(c1)[*:1] O=C(N[*:1])c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)Nc1ccc2c(c1)OCCCO2 O=S(=O)(N1CCOCC1)[*:1] O=C(CSc1ccc(cn1)[*:1])Nc1ccc2OCCCOc2c1
CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cnn(C)c1 c1ccc(cc1)[*:1] CC[C@H]([NH2+]Cc1cn(nn1)[*:1])c1cnn(C)c1
CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@H]([NH2+]Cc1cn(nn1)-c1ccccc1)[*:1]
COc1ccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])S(=O)(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
CCn1c(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nn(CCOC)c1=O COC[*:1] CCn1c(nn(C[*:1])c1=O)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
CCn1c(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nn(CCOC)c1=O COCC[*:1] CCn1c(nn(c1=O)[*:1])C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
CCn1c(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nn(CCOC)c1=O c1ccc(cc1)[*:1] CCn1c(nn(CCOC)c1=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N1CC[C@@H](C(N)=O)c2ccccc21 NC(=O)[*:1] CCCS(=O)(=O)[C@H](C)C(=O)N1CC[C@@H](c2ccccc21)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N1CC[C@@H](C(N)=O)c2ccccc21 CCCS(=O)(=O)[*:1] C[C@H](C(=O)N1CC[C@@H](C(N)=O)c2ccccc21)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N1CC[C@@H](C(N)=O)c2ccccc21 CCC[*:1] C[C@H](C(=O)N1CC[C@@H](C(N)=O)c2ccccc21)S(=O)(=O)[*:1]
COc1ccccc1OCCNC(=O)c1ccc2ccccc2c1O COc1ccccc1[*:1] O=C(NCCO[*:1])c1ccc2ccccc2c1O
N#Cc1ccc(NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)NCC(=O)N1N=C(C[C@@H]1c1ccco1)[*:1]
N#Cc1ccc(NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CN[*:1])N1N=C(C[C@@H]1c1ccco1)c1cccs1
N#Cc1ccc(NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1 N#Cc1ccc(cc1)N[*:1] O=C(C[*:1])N1N=C(C[C@@H]1c1ccco1)c1cccs1
N#Cc1ccc(NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1 c1coc(c1)[*:1] N#Cc1ccc(cc1)NCC(=O)N1N=C(C[C@H]1[*:1])c1cccs1
CN(C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccccc1F Fc1ccccc1[*:1] CN(C(=O)c1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1)[*:1]
C[C@H](CC[NH2+]C1CCCCCCC1)[S@@](C)=O C[S@@](=O)[*:1] C[C@H](CC[NH2+]C1CCCCCCC1)[*:1]
O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc(Cl)o1 Clc1ccc(o1)[*:1] O=C(COc1ccc2ccccc2c1)NNC(=O)[*:1]
COc1cc(/C=C2/SC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCCC(=O)[O-] O=C([O-])CC[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)c2ccc(C)c(C)c2)ccc1O[*:1]
COc1cc(/C=C2/SC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCCC(=O)[O-] O=C([O-])CCO[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)c2ccc(C)c(C)c2)ccc1[*:1]
COc1cc(/C=C2/SC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCCC(=O)[O-] O=C([O-])[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)c2ccc(C)c(C)c2)ccc1OCC[*:1]
COc1cc(/C=C2/SC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCCC(=O)[O-] Cc1ccc(cc1C)[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)[*:1])ccc1OCCC(=O)[O-]
COc1cc(/C=C2/SC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCCC(=O)[O-] O=C([O-])C[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)c2ccc(C)c(C)c2)ccc1OC[*:1]
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] O=C(CCCO[*:1])NNC(=O)c1ccc(Cl)cc1
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)[*:1]
C[C@H](C(=O)[O-])[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 O=C([O-])[*:1] C[C@H]([C@@H](C)[NH2+]Cc1ccc(F)c(F)c1)[*:1]
CCC[NH+]1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 c1coc(c1)[*:1] CCC[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)[*:1]
CCC[NH+]1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 O=C(N[*:1])c1ccco1 CCC[NH+]1CCN(CC1)C(=O)c1cccc(c1)[*:1]
Cc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1F O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1F)NC(=O)COc1ccccc1[*:1]
Cc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)COc1ccccc1C(=O)N[*:1]
Cc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1F Cc1ccc(cc1F)[*:1] O=C(COc1ccccc1C(=O)Nc1ccccc1)N[*:1]
COC(=O)Cc1nc(Nc2ccc(OC)cc2OC)c2c(C)c(C)sc2n1 COC(=O)C[*:1] COc1ccc(Nc2nc(nc3sc(C)c(C)c23)[*:1])c(c1)OC
COC(=O)Cc1nc(Nc2ccc(OC)cc2OC)c2c(C)c(C)sc2n1 COC(=O)[*:1] COc1ccc(Nc2nc(C[*:1])nc3sc(C)c(C)c23)c(c1)OC
COc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 COc1ccccc1[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)NC(=O)c1cccs1
COc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 COc1ccccc1NC(=O)c1ccc(Cl)c(c1)[*:1]
COc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] COc1ccccc1NC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(c1)O[*:1]
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(Oc2ccncc2)c1 O=[N+]([O-])c1ccccc1[*:1] O=C(C=C[*:1])Nc1cccc(c1)Oc1ccncc1
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(Oc2ccncc2)c1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1[*:1])Nc1cccc(c1)Oc1ccncc1
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)O[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(c1)[*:1]
Cc1ccnc(NC(=O)CN(C)C(=O)c2ccnc3ccccc23)c1 Cc1ccnc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccnc2ccccc12
Cc1cccc(C)c1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O C1CC1[*:1] Cc1cccc(C)c1C(=O)Nc1cc(ccc1O)S(=O)(=O)N[*:1]
Cc1cccc(C)c1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O O=S(=O)(NC1CC1)[*:1] Cc1cccc(C)c1C(=O)Nc1cc(ccc1O)[*:1]
Cc1cccc(C)c1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O Cc1cccc(C)c1[*:1] O=C(Nc1cc(ccc1O)S(=O)(=O)NC1CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)NCc2cccc([N+]3=CCCC3)c2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)NCc1cccc(c1)[N+]1=CCCC1)[*:1]
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 CS(=O)(=O)[*:1] C[C@H]([C@@H](C)[*:1])N(C)C(=O)Nc1ccc(cc1)-c1cc[nH]n1
C[C@H]1CCN(C(=O)CN2CCN(c3ncccn3)CC2)c2ccccc2S1 c1cnc(nc1)[*:1] C[C@H]1CCN(C(=O)CN2CCN(CC2)[*:1])c2ccccc2S1
COC(=O)Cc1csc(Nc2ncnc3sc(C)c(C)c23)n1 COC(=O)C[*:1] Cc1sc2ncnc(Nc3nc(cs3)[*:1])c2c1C
COC(=O)Cc1csc(Nc2ncnc3sc(C)c(C)c23)n1 COC(=O)[*:1] Cc1sc2ncnc(Nc3nc(cs3)C[*:1])c2c1C
Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c3cc2c1C CC(C)C[*:1] Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@@H](C(=O)[O-])[*:1])c(C)c3cc2c1C
Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c3cc2c1C CC(C)[*:1] Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@@H](C[*:1])C(=O)[O-])c(C)c3cc2c1C
Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c3cc2c1C O=C([O-])[*:1] Cc1oc2c(C)c3oc(=O)c(CC(=O)N[C@@H](CC(C)C)[*:1])c(C)c3cc2c1C
COC(=O)[C@H](NC(=O)[C@@]1(C)CCCO1)c1ccc(F)c(F)c1 COC(=O)[*:1] C[C@@]1(CCCO1)C(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
CCN(C/C(N)=N/O)C(=O)[C@H]1CSc2ccccc21 N/C(C[*:1])=N\O CCN(C(=O)[C@H]1CSc2ccccc21)[*:1]
CCN(C/C(N)=N/O)C(=O)[C@H]1CSc2ccccc21 N/C(=N\O)[*:1] CCN(C[*:1])C(=O)[C@H]1CSc2ccccc21
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 CC(=O)N[*:1] O=S1(=O)CC[C@@H](C1)N1CCN(CC1)C[C@H](O)COc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 O=S1(=O)CC[C@@H](C1)[*:1] CC(=O)Nc1ccc(cc1)OC[C@@H](O)CN1CCN(CC1)[*:1]
O=C(NC1CCCCC1)c1cccnc1Nc1ccccc1 c1ccc(cc1)N[*:1] O=C(NC1CCCCC1)c1cccnc1[*:1]
O=C(NC1CCCCC1)c1cccnc1Nc1ccccc1 C1CCC(CC1)[*:1] O=C(N[*:1])c1cccnc1Nc1ccccc1
O=C(NC1CCCCC1)c1cccnc1Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)c1cccnc1N[*:1]
CCC(CC)NC(=O)[C@H](C)N1CC[NH+](CC(C)C)CC1 CCC(CC)[*:1] CC(C)C[NH+]1CCN(CC1)[C@@H](C)C(=O)N[*:1]
CCC(CC)NC(=O)[C@H](C)N1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] CCC(CC)NC(=O)[C@H](C)N1CC[NH+](CC1)[*:1]
CCC(CC)NC(=O)[C@H](C)N1CC[NH+](CC(C)C)CC1 CC(C)[*:1] CCC(CC)NC(=O)[C@H](C)N1CC[NH+](CC1)C[*:1]
COc1cc(C[NH2+][C@H](C)c2ccncc2)cc([N+](=O)[O-])c1O c1cc(ccn1)[*:1] COc1cc(cc(c1O)[N+](=O)[O-])C[NH2+][C@H](C)[*:1]
COc1cc(C[NH2+][C@H](C)c2ccncc2)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(cc(c1O)[*:1])C[NH2+][C@H](C)c1ccncc1
O=C(OCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(CO)cc1 OCc1ccc(cc1)[*:1] O=C(COC(=O)[*:1])N1CCO[C@H]2CCCC[C@H]21
CCSC[C@@H](C)N(C)C(=O)c1ccc(-c2cscn2)cc1 CCSC[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)-c1cscn1)[*:1]
CCSC[C@@H](C)N(C)C(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] CCSC[C@@H](C)N(C)C(=O)c1ccc(cc1)[*:1]
CCSC[C@@H](C)N(C)C(=O)c1ccc(-c2cscn2)cc1 CCS[*:1] C[C@H](C[*:1])N(C)C(=O)c1ccc(cc1)-c1cscn1
Cc1cccc(C(=O)Nc2nnc(SCc3cc(=O)c4cc(C)cc(C)c4[nH]3)s2)c1 Cc1cccc(c1)C(=O)N[*:1] Cc1cc(C)c2[nH]c(cc(=O)c2c1)CSc1nnc(s1)[*:1]
Cc1cccc(C(=O)Nc2nnc(SCc3cc(=O)c4cc(C)cc(C)c4[nH]3)s2)c1 Cc1cccc(c1)[*:1] Cc1cc(C)c2[nH]c(cc(=O)c2c1)CSc1nnc(NC(=O)[*:1])s1
COc1ccc(C[C@]2(C)NC(=O)N(CC(=O)N(C)C)C2=O)cc1OC CN(C)C(=O)[*:1] COc1ccc(cc1OC)C[C@]1(C)NC(=O)N(C[*:1])C1=O
COc1ccc(C[C@]2(C)NC(=O)N(CC(=O)N(C)C)C2=O)cc1OC CN(C)C(=O)C[*:1] COc1ccc(cc1OC)C[C@]1(C)NC(=O)N(C1=O)[*:1]
C[C@@H]1CCCN(c2ncnc3c2[nH]c2ccc(F)cc23)C1 C[C@@H]1CCCN(C1)[*:1] Fc1ccc2[nH]c3c(ncnc3c2c1)[*:1]
COCc1cccc(C(=O)NC[C@@H]2COc3cc(OC)ccc3C2)n1 COC[*:1] COc1ccc2C[C@H](CNC(=O)c3cccc(n3)[*:1])COc2c1
COCc1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1F O=[N+]([O-])[*:1] COCc1cc(ccc1F)C(=O)N1CCc2cc(ccc21)[*:1]
COCc1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1F COC[*:1] O=C(c1ccc(F)c(c1)[*:1])N1CCc2cc(ccc21)[N+](=O)[O-]
CCC[C@H]1C[C@@H]1NC(=O)COc1ccc(C=O)cc1Br CCC[*:1] O=Cc1ccc(OCC(=O)N[C@H]2C[C@@H]2[*:1])c(Br)c1
CC(C)(C)N1C[C@H](NC(=O)NC[C@@](C)(O)c2ccccc2)CC1=O c1ccc(cc1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)NC(=O)NC[C@@](C)(O)[*:1]
CC(C)(C)N1C[C@H](NC(=O)NC[C@@](C)(O)c2ccccc2)CC1=O CC(C)(C)[*:1] C[C@@](O)(CNC(=O)N[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1
c1ccc(NCc2n[nH]c(-c3cccnc3)n2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)NCc1n[nH]c(n1)[*:1]
c1ccc(NCc2n[nH]c(-c3cccnc3)n2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)-c1nc(CN[*:1])n[nH]1
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCCO OCCCN[*:1] O=[N+]([O-])c1cc(cc(c1[*:1])[N+](=O)[O-])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCCO OCCC[*:1] O=[N+]([O-])c1cc(cc(c1N[*:1])[N+](=O)[O-])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCCO O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(cc(c1NCCCO)[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCCO FC(F)(F)[*:1] O=[N+]([O-])c1cc(cc(c1NCCCO)[N+](=O)[O-])[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCCO OCC[*:1] O=[N+]([O-])c1cc(cc(c1NC[*:1])[N+](=O)[O-])C(F)(F)F
CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Cl)cc3)c(=O)oc2c1 CCN(CC)[*:1] O=C(Nc1ccc(Cl)cc1)c1cc2ccc(cc2oc1=O)[*:1]
CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Cl)cc3)c(=O)oc2c1 Clc1ccc(cc1)[*:1] CCN(CC)c1ccc2cc(C(=O)N[*:1])c(=O)oc2c1
COc1ccc(S(=O)(=O)NCC2(c3c(F)cccc3Cl)CCOCC2)cc1OC Fc1cccc(Cl)c1[*:1] COc1ccc(cc1OC)S(=O)(=O)NCC1(CCOCC1)[*:1]
Cc1cccc(C)c1NC(=O)N(C)CC[C@@H](C)O C[C@@H](O)[*:1] Cc1cccc(C)c1NC(=O)N(C)CC[*:1]
Cc1cccc(C)c1NC(=O)N(C)CC[C@@H](C)O C[C@@H](O)CC[*:1] Cc1cccc(C)c1NC(=O)N(C)[*:1]
Cc1cccc(C)c1NC(=O)N(C)CC[C@@H](C)O C[C@@H](O)C[*:1] Cc1cccc(C)c1NC(=O)N(C)C[*:1]
Cn1c(=O)c2c(ncn2CCOc2cccc(C#N)c2)n(C)c1=O N#Cc1cccc(c1)[*:1] Cn1c(=O)c2c(ncn2CCO[*:1])n(C)c1=O
CC(C)[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(F)cc1 c1ccc2c(c[nH]c2c1)[*:1] CC(C)[C@@H](NC(=O)CN1C(=O)N[C@H](C[*:1])C1=O)c1ccc(F)cc1
CC(C)[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)[*:1]
CC(C)[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(F)cc1 CC(C)[*:1] O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(F)cc1 c1ccc2c(c[nH]c2c1)C[*:1] CC(C)[C@@H](NC(=O)CN1C(=O)N[C@H](C1=O)[*:1])c1ccc(F)cc1
COC(=O)CN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)C(C)C CC(C)[*:1] COC(=O)CN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)[*:1]
COC(=O)CN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)C(C)C COC(=O)[*:1] CC(C)N(C[*:1])C(=O)[C@@H]1CC[C@@H](C[NH3+])O1
COC(=O)CN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)C(C)C COC(=O)C[*:1] CC(C)N(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)[*:1]
CCCC[C@@H](C)[NH2+]C[C@H]1CSc2ccccc21 CCCC[*:1] C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)[*:1]
CCCC[C@@H](C)[NH2+]C[C@H]1CSc2ccccc21 CCC[*:1] C[C@H](C[*:1])[NH2+]C[C@H]1CSc2ccccc21
C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(O)(C(F)(F)F)CC1 CC(C)(C)[*:1] C[C@H](CNC(=O)O[*:1])CC(=O)N1CCC(O)(CC1)C(F)(F)F
C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(O)(C(F)(F)F)CC1 CC(C)(C)OC(=O)N[*:1] C[C@@H](CC(=O)N1CCC(O)(CC1)C(F)(F)F)C[*:1]
C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(O)(CC1)[*:1]
C[C@H]1Oc2ccc(-c3csc(NC(=O)COc4ccc(Cl)cc4)n3)cc2NC1=O Clc1ccc(cc1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)-c1csc(n1)NC(=O)CO[*:1]
C[C@H]1Oc2ccc(-c3csc(NC(=O)COc4ccc(Cl)cc4)n3)cc2NC1=O Clc1ccc(cc1)OC[*:1] C[C@H]1Oc2ccc(cc2NC1=O)-c1csc(n1)NC(=O)[*:1]
C[C@H]1Oc2ccc(-c3csc(NC(=O)COc4ccc(Cl)cc4)n3)cc2NC1=O Clc1ccc(cc1)O[*:1] C[C@H]1Oc2ccc(cc2NC1=O)-c1csc(n1)NC(=O)C[*:1]
O=C(CSc1nnnn1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 O=[N+]([O-])[*:1] O=C(CSc1nnnn1-c1ccc(cc1)[*:1])Nc1ccc(F)cc1
O=C(CSc1nnnn1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnnn1-c1ccc(cc1)[N+](=O)[O-])N[*:1]
CCN(CC)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O CCN(CC)C(=O)[*:1] O=c1[nH]c(ncc1[*:1])C12CC3CC(CC(C3)C1)C2
Cc1cc(C)n(-c2cccc(NC(=O)/C=C/c3ccc(C(N)=O)cc3)c2)n1 Cc1cc(C)n(n1)[*:1] NC(=O)c1ccc(/C=C/C(=O)Nc2cccc(c2)[*:1])cc1
Cc1cc(C)n(-c2cccc(NC(=O)/C=C/c3ccc(C(N)=O)cc3)c2)n1 NC(=O)c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)C=C[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)/C=C/c3ccc(C(N)=O)cc3)c2)n1 NC(=O)[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)/C=C/c1ccc(cc1)[*:1]
C=CC[NH+](C/C=C/c1ccco1)CCO OCC[*:1] C=CC[NH+](C/C=C/c1ccco1)[*:1]
C=CC[NH+](C/C=C/c1ccco1)CCO c1coc(c1)[*:1] C=CC[NH+](CC=C[*:1])CCO
C=CC[NH+](C/C=C/c1ccco1)CCO C=CC[*:1] OCC[NH+](C/C=C/c1ccco1)[*:1]
CCCN(C)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 Fc1ccc(cc1)[*:1] CCCN(C)c1ccc(cc1)C(=O)N[C@H](c1nccn1C)[*:1]
CCCN(C)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 CCCN(C)[*:1] Cn1ccnc1[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(F)cc1
CCCN(C)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 CCC[*:1] CN(c1ccc(cc1)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C)[*:1]
CCCN(C)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 Cn1ccnc1[*:1] CCCN(C)c1ccc(cc1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
[NH3+][C@H]1CCC[C@@H](N2CCC[C@H]2c2cccnc2)C1 c1cncc(c1)[*:1] [NH3+][C@H]1CCC[C@H](C1)N1CCC[C@@H]1[*:1]
CCc1noc(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 CCc1noc(n1)[*:1] C[C@]1(CCC(=O)N(CC[*:1])C1)Cc1ccc2OCOc2c1
CCc1noc(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 CCc1noc(C[*:1])n1 C[C@]1(CCC(=O)N(C1)C[*:1])Cc1ccc2OCOc2c1
CCc1noc(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 CCc1noc(CC[*:1])n1 C[C@]1(CCC(=O)N(C1)[*:1])Cc1ccc2OCOc2c1
CCc1noc(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 c1cc2OCOc2cc1[*:1] CCc1noc(CCN2C[C@@](C)(CCC2=O)C[*:1])n1
C[C@H]1Cc2ccccc2N1CCNC(=O)C1(C#N)CCCC1 N#CC1(CCCC1)[*:1] C[C@H]1Cc2ccccc2N1CCNC(=O)[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N[*:1])n1C
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CSc1nnc(n1C)[*:1]
CC[C@@H]1CN(C(=O)Cn2nnn(-c3cccs3)c2=O)CCO1 c1csc(c1)[*:1] CC[C@@H]1CN(CCO1)C(=O)Cn1nnn(c1=O)[*:1]
CCC(=O)CCc1ccc(F)cc1Br CCC(=O)[*:1] Fc1ccc(CC[*:1])c(Br)c1
Cc1c(C(=O)Nc2ccc(F)cc2OCC(F)F)cnn1C FC(F)C[*:1] Cc1c(cnn1C)C(=O)Nc1ccc(F)cc1O[*:1]
Cc1c(C(=O)Nc2ccc(F)cc2OCC(F)F)cnn1C Cc1c(cnn1C)[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)[*:1]
Cc1c(C(=O)Nc2ccc(F)cc2OCC(F)F)cnn1C FC(F)[*:1] Cc1c(cnn1C)C(=O)Nc1ccc(F)cc1OC[*:1]
Cc1c(C(=O)Nc2ccc(F)cc2OCC(F)F)cnn1C FC(F)CO[*:1] Cc1c(cnn1C)C(=O)Nc1ccc(F)cc1[*:1]
O=C(CN1CCO[C@@H](CNc2cccn[nH+]2)C1)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(CN1CCO[C@@H](CNc2cccn[nH+]2)C1)NC[*:1]
O=C(CN1CCO[C@@H](CNc2cccn[nH+]2)C1)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(CN1CCO[C@@H](CNc2cccn[nH+]2)C1)N[*:1]
Cc1noc([C@H](C)NC(=O)[C@@H]2CCCc3ccccc32)n1 Cc1noc(n1)[*:1] C[C@H](NC(=O)[C@@H]1CCCc2ccccc21)[*:1]
CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1ccc(C#N)c(Cl)c1 CC(C)(C)[*:1] CCN(C(=O)c1cc(C(C)C)n(n1)[*:1])c1ccc(C#N)c(Cl)c1
CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1ccc(C#N)c(Cl)c1 CC(C)[*:1] CCN(C(=O)c1cc(n(n1)C(C)(C)C)[*:1])c1ccc(C#N)c(Cl)c1
Cc1cc(C)c(S(=O)(=O)Nc2ncn(Cc3cccc(F)c3)n2)c(C)c1 Fc1cccc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ncn(C[*:1])n1
Cc1cc(C)c(S(=O)(=O)Nc2ncn(Cc3cccc(F)c3)n2)c(C)c1 Fc1cccc(c1)C[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ncn(n1)[*:1]
N#Cc1c(F)cccc1N1CCN(Cc2cnc[nH]2)CC1 c1ncc([nH]1)[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C[*:1]
N#Cc1c(F)cccc1N1CCN(Cc2cnc[nH]2)CC1 c1ncc(C[*:1])[nH]1 N#Cc1c(F)cccc1N1CCN(CC1)[*:1]
C[C@@H](C(=O)NC[C@H](O)c1ccccc1F)c1ccc2ccccc2c1 Fc1ccccc1[*:1] C[C@@H](C(=O)NC[C@H](O)[*:1])c1ccc2ccccc2c1
CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cccc(S(=O)(=O)NC)c1C CCC[*:1] CNS(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H](C)[C@@H]2[*:1])c1C
CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cccc(S(=O)(=O)NC)c1C CNS(=O)(=O)[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cccc(c1C)[*:1]
Cc1cc(F)ccc1-n1ccc(C)c(C(=O)[O-])c1=O O=C([O-])[*:1] Cc1cc(F)ccc1-n1ccc(C)c(c1=O)[*:1]
C[NH2+][C@H](Cc1ccc(O)cc1)[C@@H]1COc2ccccc2C1 Oc1ccc(cc1)[*:1] C[NH2+][C@H](C[*:1])[C@@H]1COc2ccccc2C1
N#CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] N#CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
N#CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 N#CC[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1)[*:1]
Cc1cnc(CNC(=O)NCC[C@H](O)c2ccccc2)s1 Cc1cnc(C[*:1])s1 O=C(NCC[C@H](O)c1ccccc1)N[*:1]
Cc1cnc(CNC(=O)NCC[C@H](O)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cnc(CNC(=O)NCC[C@H](O)[*:1])s1
Cc1cnc(CNC(=O)NCC[C@H](O)c2ccccc2)s1 Cc1cnc(s1)[*:1] O=C(NCC[C@H](O)c1ccccc1)NC[*:1]
Cc1nc(Br)ccc1NC(=O)N[C@H](C)CCO C[C@H](CCO)[*:1] Cc1nc(Br)ccc1NC(=O)N[*:1]
Cc1nc(Br)ccc1NC(=O)N[C@H](C)CCO OCC[*:1] Cc1nc(Br)ccc1NC(=O)N[C@H](C)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccs1 CC(C)[*:1] O=C(N[C@H](c1cccs1)[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccs1 c1csc(c1)[*:1] CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccs1 c1coc(c1)[*:1] CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(C1)C[*:1])c1cccs1
CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccs1 c1coc(c1)C[*:1] CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1cccs1
Cc1ccc(F)c(C(=O)NNC(=S)NC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(F)c(c1)C(=O)NNC(=S)NC[*:1]
Cc1ccc(F)c(C(=O)NNC(=S)NC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] Cc1ccc(F)c(c1)C(=O)NNC(=S)N[*:1]
COc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C(=O)N[C@H]1CCS(=O)(=O)C1
COc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C(=O)N[C@H]1CCS(=O)(=O)C1
O=CN[C@H](C(=O)[O-])[C@@H]1CCO[C@@]2(CCOC2)C1 O=CN[*:1] O=C([O-])[C@H]([C@@H]1CCO[C@@]2(CCOC2)C1)[*:1]
O=CN[C@H](C(=O)[O-])[C@@H]1CCO[C@@]2(CCOC2)C1 O=C([O-])[*:1] O=CN[C@H]([C@@H]1CCO[C@@]2(CCOC2)C1)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 O=C(NC[C@H]1CCCO1)[*:1] Cc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)c1ccc(cc1)NC(=S)NC(=O)[*:1]
Cc1cccc(C)c1NC(=O)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)C(=O)NC[*:1]
Cc1cccc(C)c1NC(=O)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1cccc(C)c1NC(=O)C(=O)N[*:1]
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1Cc2ccccc2O1 CC(C)(C)[*:1] CC(C)[C@@H](NC(=O)O[*:1])C(=O)NC[C@H]1Cc2ccccc2O1
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1Cc2ccccc2O1 CC(C)[*:1] CC(C)(C)OC(=O)N[C@@H](C(=O)NC[C@H]1Cc2ccccc2O1)[*:1]
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1Cc2ccccc2O1 CC(C)(C)OC(=O)N[*:1] CC(C)[C@@H](C(=O)NC[C@H]1Cc2ccccc2O1)[*:1]
Cc1nc(CNc2cc(N3CCCC3=O)ccc2Cl)sc1C Cc1nc(sc1C)[*:1] O=C1CCCN1c1ccc(Cl)c(c1)NC[*:1]
Cc1nc(CNc2cc(N3CCCC3=O)ccc2Cl)sc1C O=C1CCCN1[*:1] Cc1nc(CNc2cc(ccc2Cl)[*:1])sc1C
CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 c1cc(ccn1)[*:1] CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(c1)[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 CCS(=O)(=O)[*:1] C[C@H]([NH2+][C@H](C)C[*:1])c1cccc(c1)-c1ccncc1
CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 CCS(=O)(=O)C[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1cccc(c1)-c1ccncc1
C=CCNC(=O)N(Cc1ccsc1)C1CC1 C=CC[*:1] O=C(N[*:1])N(Cc1ccsc1)C1CC1
C=CCNC(=O)N(Cc1ccsc1)C1CC1 C1CC1[*:1] C=CCNC(=O)N(Cc1ccsc1)[*:1]
C=CCNC(=O)N(Cc1ccsc1)C1CC1 c1cc(cs1)[*:1] C=CCNC(=O)N(C[*:1])C1CC1
Cc1ccc2c(c1)=C[C@H](C(=O)NC[C@@H]1CCC3(CCN(C(=O)CC(C)C)CC3)O1)[NH+]=2 CC(C)[*:1] Cc1ccc2=[NH+][C@H](C=c2c1)C(=O)NC[C@@H]1CCC2(CCN(CC2)C(=O)C[*:1])O1
Cc1ccc2c(c1)=C[C@H](C(=O)NC[C@@H]1CCC3(CCN(C(=O)CC(C)C)CC3)O1)[NH+]=2 CC(C)C[*:1] Cc1ccc2=[NH+][C@H](C=c2c1)C(=O)NC[C@@H]1CCC2(CCN(CC2)C(=O)[*:1])O1
COc1ccc([C@@H](O)[C@@H](C)CC(=O)[O-])c2ccccc12 O=C([O-])[*:1] COc1ccc(c2ccccc12)[C@@H](O)[C@@H](C)C[*:1]
C[C@H](CNC(=O)N1CCc2ccccc21)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CCc2ccccc21)c1nc(no1)[*:1]
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(F)c(OC)c(F)c1 CNC(=O)[*:1] COc1c(F)cc(cc1F)C(=O)N1C[C@@H]([NH3+])C[C@H]1[*:1]
CC(C)N(CC(=O)NC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 CC(C)[*:1] CC(C)(C)NC(=O)NC(=O)CN(Cc1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)N(CC(=O)NC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 CC(C)(C)[*:1] CC(C)N(CC(=O)NC(=O)N[*:1])Cc1ccc(cc1)[N+](=O)[O-]
CC(C)N(CC(=O)NC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)N(CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(cc1)[*:1]
O=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 c1ccc(nc1)[*:1] O=C(NC[*:1])c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
O=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 O=C(NCc1ccccn1)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 c1ccc(C[*:1])nc1 O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
O=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] O=C(NCc1ccccn1)c1cccc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
CCOc1ccc(NC(=O)Cn2cnc(C#N)n2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOc1ccc(NC(=O)Cn2cnc(C#N)n2)c(c1)[*:1]
CCOc1ccc(NC(=O)Cn2cnc(C#N)n2)c([N+](=O)[O-])c1 N#Cc1ncn(n1)[*:1] CCOc1ccc(NC(=O)C[*:1])c(c1)[N+](=O)[O-]
CCOc1ccc(NC(=O)Cn2cnc(C#N)n2)c([N+](=O)[O-])c1 CCO[*:1] N#Cc1ncn(CC(=O)Nc2ccc(cc2[N+](=O)[O-])[*:1])n1
CCc1nn(C)cc1CNC(=O)[C@@H](C)OC CO[C@H](C)[*:1] CCc1nn(C)cc1CNC(=O)[*:1]
O=C(Nc1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(Nc1ccc2OCCCOc2c1)c1ccc(o1)[*:1]
Cc1ccc(NC(=O)CSc2cc(N3C[C@H](C)O[C@H](C)C3)ncn2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)SCC(=O)N[*:1]
CC[C@@H](NC(=O)C=C1CCCCC1)c1ccccc1OCC(=O)N1CCCC1 O=C(CO[*:1])N1CCCC1 CC[C@@H](NC(=O)C=C1CCCCC1)c1ccccc1[*:1]
CC[C@@H](NC(=O)C=C1CCCCC1)c1ccccc1OCC(=O)N1CCCC1 C(=C1CCCCC1)[*:1] CC[C@@H](NC(=O)[*:1])c1ccccc1OCC(=O)N1CCCC1
CC[C@@H](NC(=O)C=C1CCCCC1)c1ccccc1OCC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 CC[C@@H](NC(=O)C=C1CCCCC1)c1ccccc1O[*:1]
CC[C@@H](NC(=O)C=C1CCCCC1)c1ccccc1OCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC[C@@H](NC(=O)C=C1CCCCC1)c1ccccc1OC[*:1]
CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 O=[N+]([O-])c1ccc(cc1)[*:1] CCSc1sc(cc1[C@@H]1C(C#N)=C(N)N(C2CCCC(=O)C=21)[*:1])CC
CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 CCS[*:1] CCc1cc(c(s1)[*:1])[C@@H]1C(C#N)=C(N)N(C2CCCC(=O)C=21)c1ccc(cc1)[N+](=O)[O-]
CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 CCSc1sc(cc1[*:1])CC N#CC1=C(N)N(C2CCCC(=O)C=2[C@@H]1[*:1])c1ccc(cc1)[N+](=O)[O-]
CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CCC2 O=[N+]([O-])[*:1] CCSc1sc(cc1[C@@H]1C(C#N)=C(N)N(C2CCCC(=O)C=21)c1ccc(cc1)[*:1])CC
CCC[C@H](C)COc1c(F)cc(C[NH3+])cc1F CCC[*:1] C[C@H](COc1c(F)cc(cc1F)C[NH3+])[*:1]
CCC[C@H](C)COc1c(F)cc(C[NH3+])cc1F CCC[C@H](C)[*:1] [NH3+]Cc1cc(F)c(OC[*:1])c(F)c1
COc1ccc(Nc2nc(NCCO)nc3c2cnn3C)cc1Cl OCCN[*:1] COc1ccc(cc1Cl)Nc1nc(nc2c1cnn2C)[*:1]
COc1ccc(Nc2nc(NCCO)nc3c2cnn3C)cc1Cl OCC[*:1] COc1ccc(cc1Cl)Nc1nc(nc2c1cnn2C)N[*:1]
CC[C@H](C)Oc1cccc(C(=O)NC(=S)N(C)c2ccccc2)c1 CC[C@H](C)O[*:1] CN(C(=S)NC(=O)c1cccc(c1)[*:1])c1ccccc1
CC[C@H](C)Oc1cccc(C(=O)NC(=S)N(C)c2ccccc2)c1 CC[C@H](C)[*:1] CN(C(=S)NC(=O)c1cccc(c1)O[*:1])c1ccccc1
CC[C@H](C)Oc1cccc(C(=O)NC(=S)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@H](C)Oc1cccc(c1)C(=O)NC(=S)N(C)[*:1]
O=C(CCc1cc(Cl)no1)Nc1ccc2occc(=O)c2c1 Clc1cc(on1)[*:1] O=C(CC[*:1])Nc1ccc2occc(=O)c2c1
O=C(CCc1cc(Cl)no1)Nc1ccc2occc(=O)c2c1 Clc1cc(C[*:1])on1 O=C(C[*:1])Nc1ccc2occc(=O)c2c1
CC[NH2+][C@@H]1CCCN(CC2(CC(C)C)CCCC2)C1=O CC(C)C[*:1] CC[NH2+][C@@H]1CCCN(CC2(CCCC2)[*:1])C1=O
CC[NH2+][C@@H]1CCCN(CC2(CC(C)C)CCCC2)C1=O CC(C)[*:1] CC[NH2+][C@@H]1CCCN(CC2(CCCC2)C[*:1])C1=O
COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)cc1OC Cn1c(=O)sc2cc(ccc21)[*:1] COc1ccc(cc1OC)CC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)cc1OC COc1ccc(cc1OC)C[*:1] Cn1c(=O)sc2cc(ccc21)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)cc1OC COc1ccc(cc1OC)[*:1] Cn1c(=O)sc2cc(ccc21)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc3nsnc23)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])Nc1cccc2nsnc12
CCCn1cc[nH+]c1CN1CCC(C(=O)N2CCCC2)CC1 CCC[*:1] O=C(C1CCN(CC1)Cc1[nH+]ccn1[*:1])N1CCCC1
CCCn1cc[nH+]c1CN1CCC(C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CCCn1cc[nH+]c1CN1CCC(CC1)[*:1]
O=c1ccn(Cc2csc(CCc3ccccc3)n2)c2ccsc12 c1ccc(cc1)[*:1] O=c1ccn(Cc2csc(CC[*:1])n2)c2ccsc12
O=c1ccn(Cc2csc(CCc3ccccc3)n2)c2ccsc12 c1ccc(cc1)C[*:1] O=c1ccn(Cc2csc(C[*:1])n2)c2ccsc12
O=c1ccn(Cc2csc(CCc3ccccc3)n2)c2ccsc12 c1ccc(cc1)CC[*:1] O=c1ccn(Cc2csc(n2)[*:1])c2ccsc12
CCn1cc[nH+]c(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1=O C(=C[*:1])c1ccccc1 CCn1cc[nH+]c(c1=O)N1CC[NH+](CC1)C[*:1]
CCn1cc[nH+]c(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1=O c1ccc(cc1)[*:1] CCn1cc[nH+]c(c1=O)N1CC[NH+](CC=C[*:1])CC1
CC(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ncnn1C CC(C)[*:1] Cn1ncnc1CCNC(=O)[C@H](Cc1ccccc1)[*:1]
CC(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ncnn1C Cn1ncnc1[*:1] CC(C)[C@@H](Cc1ccccc1)C(=O)NCC[*:1]
CC(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ncnn1C c1ccc(cc1)[*:1] CC(C)[C@@H](C[*:1])C(=O)NCCc1ncnn1C
CC(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ncnn1C c1ccc(cc1)C[*:1] CC(C)[C@@H](C(=O)NCCc1ncnn1C)[*:1]
CC(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ncnn1C Cn1ncnc1C[*:1] CC(C)[C@@H](Cc1ccccc1)C(=O)NC[*:1]
COC[C@H](Nc1ncnc2cccc(F)c12)c1ccccn1 COC[*:1] Fc1cccc2ncnc(N[C@H](c3ccccn3)[*:1])c12
COC[C@H](Nc1ncnc2cccc(F)c12)c1ccccn1 c1ccc(nc1)[*:1] COC[C@H](Nc1ncnc2cccc(F)c12)[*:1]
CSc1ccc(C)c(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1 NC(=O)[*:1] CSc1ccc(C)c(c1)C(=O)N[C@H](C(C)(C)C)[*:1]
CSc1ccc(C)c(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1 CC(C)(C)[*:1] CSc1ccc(C)c(c1)C(=O)N[C@H](C(N)=O)[*:1]
O=C(Cn1cccn1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 c1cnn(c1)[*:1] O=C(C[*:1])N1CCC[C@@H](CCc2ccc(F)cc2)C1
O=C(Cn1cccn1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 c1cnn(c1)C[*:1] O=C(N1CCC[C@@H](CCc2ccc(F)cc2)C1)[*:1]
O=C(Cn1cccn1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Cn1cccn1)N1CCC[C@@H](CC[*:1])C1
O=[N+]([O-])c1ccc(NCCSc2ccccc2)[nH+]c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(NCCS[*:1])[nH+]c1
O=[N+]([O-])c1ccc(NCCSc2ccccc2)[nH+]c1 O=[N+]([O-])[*:1] c1ccc(cc1)SCCNc1ccc(c[nH+]1)[*:1]
CC(C)[C@@H](OC(=O)CN(C)C(=O)c1cccs1)c1ccc(F)c(F)c1 CC(C)[*:1] CN(CC(=O)O[C@@H](c1ccc(F)c(F)c1)[*:1])C(=O)c1cccs1
CC(C)[C@@H](OC(=O)CN(C)C(=O)c1cccs1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CC(C)[C@@H](OC(=O)CN(C)C(=O)c1cccs1)[*:1]
CC(C)[C@@H](OC(=O)CN(C)C(=O)c1cccs1)c1ccc(F)c(F)c1 c1csc(c1)[*:1] CC(C)[C@@H](OC(=O)CN(C)C(=O)[*:1])c1ccc(F)c(F)c1
CC(C)CSCC(=O)NC1CCOCC1 CC(C)CS[*:1] O=C(C[*:1])NC1CCOCC1
CC(C)CSCC(=O)NC1CCOCC1 CC(C)[*:1] O=C(CSC[*:1])NC1CCOCC1
CC(C)CSCC(=O)NC1CCOCC1 CC(C)C[*:1] O=C(CS[*:1])NC1CCOCC1
CSc1ccc(Nc2ccc(N)c(OC(C)(C)C)n2)cc1 CC(C)(C)[*:1] CSc1ccc(cc1)Nc1ccc(N)c(n1)O[*:1]
CSc1ccc(Nc2ccc(N)c(OC(C)(C)C)n2)cc1 CC(C)(C)O[*:1] CSc1ccc(cc1)Nc1ccc(N)c(n1)[*:1]
CN1N=C([NH-])/C(=N\Nc2ccc(Cl)c(C(F)(F)F)c2)C1=[NH2+] FC(F)(F)[*:1] CN1N=C([NH-])/C(=N\Nc2ccc(Cl)c(c2)[*:1])C1=[NH2+]
Cc1ccc(S(=O)(=O)CCCN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@@H]1NC(=O)N(CCCS(=O)(=O)[*:1])C1=O
Cc1ccc(S(=O)(=O)CCCN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)CCCN1C(=O)N[C@@H](C[*:1])C1=O
Cc1ccc(S(=O)(=O)CCCN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)CCCN1C(=O)N[C@@H](C1=O)[*:1]
COc1ccc(CCNC(=O)[C@@]2(C)CC[C@@H](C(=O)[O-])C2(C)C)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)CCNC(=O)[C@@]1(C)CC[C@@H](C1(C)C)[*:1]
Cc1cccc(C)c1NC(=O)CCc1c(C)nc2nc(NCc3ccccc3)nn2c1[O-] c1ccc(cc1)CN[*:1] Cc1cccc(C)c1NC(=O)CCc1c(C)nc2nc(nn2c1[O-])[*:1]
Cc1cccc(C)c1NC(=O)CCc1c(C)nc2nc(NCc3ccccc3)nn2c1[O-] c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CCc1c(C)nc2nc(nn2c1[O-])NC[*:1]
Cc1cccc(C)c1NC(=O)CCc1c(C)nc2nc(NCc3ccccc3)nn2c1[O-] Cc1cccc(C)c1[*:1] Cc1nc2nc(nn2c([O-])c1CCC(=O)N[*:1])NCc1ccccc1
Cc1cccc(C)c1NC(=O)CCc1c(C)nc2nc(NCc3ccccc3)nn2c1[O-] c1ccc(cc1)C[*:1] Cc1cccc(C)c1NC(=O)CCc1c(C)nc2nc(nn2c1[O-])N[*:1]
Cc1ccc(N2CCCC2=O)c(C(=O)NCCCc2c(C)noc2C)c1 Cc1noc(C)c1C[*:1] Cc1ccc(c(c1)C(=O)NCC[*:1])N1CCCC1=O
Cc1ccc(N2CCCC2=O)c(C(=O)NCCCc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] Cc1ccc(c(c1)C(=O)NCCC[*:1])N1CCCC1=O
Cc1ccc(N2CCCC2=O)c(C(=O)NCCCc2c(C)noc2C)c1 O=C1CCCN1[*:1] Cc1ccc(c(c1)C(=O)NCCCc1c(C)noc1C)[*:1]
Cc1nc(CCCC(=O)N2CCC(c3ccc(F)cc3)CC2)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)CCCC(=O)N1CCC(CC1)[*:1]
Cc1nc(CCCC(=O)N2CCC(c3ccc(F)cc3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(CCC[*:1])N1CCC(CC1)c1ccc(F)cc1
Cc1nc(CCCC(=O)N2CCC(c3ccc(F)cc3)CC2)cs1 Cc1nc(cs1)CC[*:1] O=C(C[*:1])N1CCC(CC1)c1ccc(F)cc1
Cc1nc(CCCC(=O)N2CCC(c3ccc(F)cc3)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(CC[*:1])N1CCC(CC1)c1ccc(F)cc1
Cc1ccccc1C(=O)NCC(=O)N(C)CCc1ccccn1 Cc1ccccc1[*:1] CN(CCc1ccccn1)C(=O)CNC(=O)[*:1]
Cc1ccccc1C(=O)NCC(=O)N(C)CCc1ccccn1 c1ccc(C[*:1])nc1 Cc1ccccc1C(=O)NCC(=O)N(C)C[*:1]
Cc1ccccc1C(=O)NCC(=O)N(C)CCc1ccccn1 c1ccc(nc1)[*:1] Cc1ccccc1C(=O)NCC(=O)N(C)CC[*:1]
CC(C)[C@@](C)(O)CNC(=O)[C@H](C)c1ccc2ccccc2c1 CC(C)[*:1] C[C@@H](C(=O)NC[C@@](C)(O)[*:1])c1ccc2ccccc2c1
C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 Brc1ccc(cc1)N[*:1] C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 Brc1ccc(cc1)[*:1] C[C@@H](N[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
CC(C)CNc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1 c1coc(c1)CN[*:1] CC(C)CNc1nc(N)c(c(n1)[*:1])[N+](=O)[O-]
CC(C)CNc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1 CC(C)CN[*:1] Nc1nc(nc(NCc2ccco2)c1[N+](=O)[O-])[*:1]
CC(C)CNc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1 CC(C)C[*:1] Nc1nc(nc(NCc2ccco2)c1[N+](=O)[O-])N[*:1]
CC(C)CNc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1 c1coc(c1)C[*:1] CC(C)CNc1nc(N)c(c(n1)N[*:1])[N+](=O)[O-]
CC(C)CNc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1 c1coc(c1)[*:1] CC(C)CNc1nc(N)c(c(n1)NC[*:1])[N+](=O)[O-]
CC(C)CNc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1 CC(C)[*:1] Nc1nc(nc(NCc2ccco2)c1[N+](=O)[O-])NC[*:1]
CC(C)CNc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1 O=[N+]([O-])[*:1] CC(C)CNc1nc(N)c(c(n1)NCc1ccco1)[*:1]
COc1ccc(C[NH+](C)CC(N)=O)c(OC)c1 NC(=O)[*:1] COc1ccc(C[NH+](C)C[*:1])c(c1)OC
COc1ccc(C[NH+](C)CC(N)=O)c(OC)c1 NC(=O)C[*:1] COc1ccc(C[NH+](C)[*:1])c(c1)OC
Cc1cc(NC(=O)Cc2cc(-c3ccccc3F)on2)c2ccccc2n1 Fc1ccccc1[*:1] Cc1cc(NC(=O)Cc2cc(on2)[*:1])c2ccccc2n1
NS(=O)(=O)c1ccc(NC(=O)CCSCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CCS[*:1]
NS(=O)(=O)c1ccc(NC(=O)CCSCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CCSC[*:1]
NS(=O)(=O)c1ccc(NC(=O)CCSCc2ccc(Cl)cc2)cc1 NS(=O)(=O)[*:1] O=C(CCSCc1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
Cc1cc(C)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1C Cc1cc(C)c(cc1C)O[*:1] O=C(C[*:1])Nc1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
Cc1cc(C)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1C Cc1cc(C)c(cc1C)[*:1] O=C(CO[*:1])Nc1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
CCN(CC)C(=O)CSc1nc(N)c(C#N)c(CC(C)C)c1C#N CCN(CC)C(=O)[*:1] CC(C)Cc1c(C#N)c(N)nc(SC[*:1])c1C#N
CCN(CC)C(=O)CSc1nc(N)c(C#N)c(CC(C)C)c1C#N CC(C)[*:1] CCN(CC)C(=O)CSc1nc(N)c(C#N)c(C[*:1])c1C#N
CCN(CC)C(=O)CSc1nc(N)c(C#N)c(CC(C)C)c1C#N CC(C)C[*:1] CCN(CC)C(=O)CSc1nc(N)c(C#N)c(c1C#N)[*:1]
CCN(CC)C(=O)CSc1nc(N)c(C#N)c(CC(C)C)c1C#N CCN(CC)C(=O)C[*:1] CC(C)Cc1c(C#N)c(N)nc(S[*:1])c1C#N
O=C1CC[C@@H](C(=O)Nc2nc(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cs2)N1 Clc1ccc(cc1)[*:1] O=C1CC[C@H](N1)C(=O)Nc1nc(cs1)CC(=O)N1CCN(CC1)[*:1]
Cc1nnc2ccc(N[C@@H](Cc3ccccc3)C(=O)N3CCCCC3)nn12 c1ccc(cc1)C[*:1] Cc1nnc2ccc(nn12)N[C@@H](C(=O)N1CCCCC1)[*:1]
Cc1nnc2ccc(N[C@@H](Cc3ccccc3)C(=O)N3CCCCC3)nn12 c1ccc(cc1)[*:1] Cc1nnc2ccc(nn12)N[C@@H](C[*:1])C(=O)N1CCCCC1
Cc1nnc2ccc(N[C@@H](Cc3ccccc3)C(=O)N3CCCCC3)nn12 O=C(N1CCCCC1)[*:1] Cc1nnc2ccc(nn12)N[C@@H](Cc1ccccc1)[*:1]
CNC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 CC(C)[*:1] CNC(=O)c1ccc(cc1)NC(=O)COc1ccc(cc1)[*:1]
CNC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 CNC(=O)[*:1] CC(C)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)[*:1]
COCCN1C(=O)NC(=N)C12CCC1(CC2)OCCO1 COCC[*:1] N=C1NC(=O)N(C12CCC1(CC2)OCCO1)[*:1]
COCCN1C(=O)NC(=N)C12CCC1(CC2)OCCO1 COC[*:1] N=C1NC(=O)N(C[*:1])C12CCC1(CC2)OCCO1
Cc1cscc1-c1noc(C[C@H]2CSCC[NH2+]2)n1 Cc1cscc1[*:1] C1CSC[C@H](Cc2nc(no2)[*:1])[NH2+]1
C[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 NC(=O)c1cc(ccn1)[*:1] C[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(CC1)O[*:1]
C[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 NC(=O)[*:1] C[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(CC1)Oc1ccnc(c1)[*:1]
O=C(N[C@H]1CC=CCC1)N[C@@H]1CCCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(N[C@H]1CC=CCC1)N[C@@H]1CCCN(C1=O)[*:1]
CC(C)N1CCN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C[C@@H]1C c1cc2OCOc2cc1[*:1] CC(C)N1CCN(C[C@@H]1C)C(=O)c1coc(CO[*:1])n1
CC(C)N1CCN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C[C@@H]1C CC(C)[*:1] C[C@H]1CN(CCN1[*:1])C(=O)c1coc(COc2ccc3OCOc3c2)n1
O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1-c1ccccc1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1-c1ccccc1
O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1-c1ccccc1 c1snnc1[*:1] O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)[*:1])c1ccccc1-c1ccccc1
O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1-c1ccccc1 O=C(NC1CCCCC1)[*:1] O=C(c1csnn1)N(c1ccccc1-c1ccccc1)[C@H](c1ccncc1)[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1-c1ccccc1 c1ccc(cc1)-c1ccccc1[*:1] O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1-c1ccccc1 c1cc(ccn1)[*:1] O=C(NC1CCCCC1)[C@@H](N(C(=O)c1csnn1)c1ccccc1-c1ccccc1)[*:1]
COC(=O)[C@H](N[C@H](C)c1ccc(-c2cncnc2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@H](N[C@H](C)c1ccc(cc1)-c1cncnc1)[*:1]
COC(=O)[C@H](N[C@H](C)c1ccc(-c2cncnc2)cc1)c1ccc(F)cc1 COC(=O)[*:1] C[C@@H](N[C@H](c1ccc(F)cc1)[*:1])c1ccc(cc1)-c1cncnc1
COC(=O)[C@H](N[C@H](C)c1ccc(-c2cncnc2)cc1)c1ccc(F)cc1 c1ncc(cn1)[*:1] COC(=O)[C@H](N[C@H](C)c1ccc(cc1)[*:1])c1ccc(F)cc1
CCCc1nn2c(=O)cc(CSc3ccccc3C(=O)[O-])nc2s1 CCC[*:1] O=C([O-])c1ccccc1SCc1cc(=O)n2nc(sc2n1)[*:1]
CCCc1nn2c(=O)cc(CSc3ccccc3C(=O)[O-])nc2s1 O=C([O-])[*:1] CCCc1nn2c(=O)cc(CSc3ccccc3[*:1])nc2s1
COc1cc([C@H]([NH3+])C(=O)[O-])cc(I)c1OC O=C([O-])[*:1] COc1cc(cc(I)c1OC)[C@H]([NH3+])[*:1]
Cc1ccc(SCC(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1 Cc1ccc(cc1)SC[*:1] O=C(N1CCN(CC1)c1nc2ccc(F)cc2s1)[*:1]
Cc1ccc(SCC(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1 Cc1ccc(cc1)S[*:1] O=C(C[*:1])N1CCN(CC1)c1nc2ccc(F)cc2s1
Cc1ccc(SCC(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CS[*:1])N1CCN(CC1)c1nc2ccc(F)cc2s1
CC1CCN(C(=O)c2csc(C(C)C)c2)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)c1csc(c1)[*:1]
C[C@@H]1N=C(c2ccccc2)c2ccccc2N(Cc2cccc(Cl)c2)C1=O c1ccc(cc1)[*:1] C[C@@H]1N=C(c2ccccc2N(Cc2cccc(Cl)c2)C1=O)[*:1]
C[C@@H]1N=C(c2ccccc2)c2ccccc2N(Cc2cccc(Cl)c2)C1=O Clc1cccc(c1)[*:1] C[C@@H]1N=C(c2ccccc2)c2ccccc2N(C[*:1])C1=O
C[C@@H]1N=C(c2ccccc2)c2ccccc2N(Cc2cccc(Cl)c2)C1=O Clc1cccc(c1)C[*:1] C[C@@H]1N=C(c2ccccc2)c2ccccc2N(C1=O)[*:1]
CC[C@H]1CN(C(=O)c2cscc2C)[C@H](CC)C[NH2+]1 Cc1cscc1[*:1] CC[C@H]1CN(C(=O)[*:1])[C@H](CC)C[NH2+]1
C[NH+]1CCC(N(Cc2ccco2)C(=S)Nc2cc(Cl)ccc2C(F)(F)F)CC1 c1coc(c1)[*:1] C[NH+]1CCC(CC1)N(C[*:1])C(=S)Nc1cc(Cl)ccc1C(F)(F)F
C[NH+]1CCC(N(Cc2ccco2)C(=S)Nc2cc(Cl)ccc2C(F)(F)F)CC1 FC(F)(F)[*:1] C[NH+]1CCC(CC1)N(Cc1ccco1)C(=S)Nc1cc(Cl)ccc1[*:1]
C[NH+]1CCC(N(Cc2ccco2)C(=S)Nc2cc(Cl)ccc2C(F)(F)F)CC1 c1coc(c1)C[*:1] C[NH+]1CCC(CC1)N(C(=S)Nc1cc(Cl)ccc1C(F)(F)F)[*:1]
O=C(NCc1ccc2c(c1)OCO2)C1=NN=N[C@@H]1Nc1cccc(Cl)c1 Clc1cccc(c1)N[*:1] O=C(NCc1ccc2OCOc2c1)C1=NN=N[C@H]1[*:1]
O=C(NCc1ccc2c(c1)OCO2)C1=NN=N[C@@H]1Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCc1ccc2OCOc2c1)C1=NN=N[C@@H]1N[*:1]
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)NC(C)C)CC1 CC(C)[*:1] CC(C)NC(=O)C1CCN(CC1)C(=O)N[C@H]1CCC[C@H]1CC[*:1]
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)NC(C)C)CC1 CC(C)C[*:1] CC(C)NC(=O)C1CCN(CC1)C(=O)N[C@H]1CCC[C@H]1C[*:1]
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)NC(C)C)CC1 CC(C)NC(=O)[*:1] CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(CC1)[*:1]
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)NC(C)C)CC1 CC(C)[*:1] CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)NC(C)C)CC1 CC(C)CC[*:1] CC(C)NC(=O)C1CCN(CC1)C(=O)N[C@H]1CCC[C@H]1[*:1]
O=C(CCc1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)no1)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(CCc1nc(CN2CCN(CC2)S(=O)(=O)[*:1])no1)N1CCCC1
O=C(CCc1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)no1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=S(=O)(c1ccc(F)cc1)N1CCN(CC1)Cc1noc(C[*:1])n1
O=C(CCc1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)no1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCN(CC1)Cc1noc(CC[*:1])n1
O=C(CCc1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)no1)N1CCCC1 O=C(CC[*:1])N1CCCC1 O=S(=O)(c1ccc(F)cc1)N1CCN(CC1)Cc1noc(n1)[*:1]
CNC(=O)C[C@H](C)C(=O)c1cccc(F)c1 CNC(=O)[*:1] C[C@@H](C[*:1])C(=O)c1cccc(F)c1
CNC(=O)C[C@H](C)C(=O)c1cccc(F)c1 CNC(=O)C[*:1] C[C@H](C(=O)c1cccc(F)c1)[*:1]
Nc1ccc(Cl)cc1SCCC(=O)NC1CC1 C1CC1[*:1] Nc1ccc(Cl)cc1SCCC(=O)N[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)O[C@H](C)c2nccs2)cc1 c1csc(n1)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)O[C@H](C)[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)O[C@H](C)c2nccs2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](OC(=O)[C@H]1CCC(=O)N1C[*:1])c1nccs1
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)O[C@H](C)c2nccs2)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](OC(=O)[C@H]1CCC(=O)N1[*:1])c1nccs1
O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)N[*:1] O=C(Cn1nc2nc(ccn2c1=O)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cn1nc2nc(ccn2c1=O)Nc1ccccc1)Nc1cccc(c1)[*:1]
O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(Cn1nc2nc(ccn2c1=O)N[*:1])Nc1cccc(c1)C(F)(F)F
O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(Cn1nc2nc(ccn2c1=O)Nc1ccccc1)N[*:1]
O=C(C1CCN(c2cnccn2)CC1)N1CCC[C@H]2CCCC[C@H]21 c1cnc(cn1)[*:1] O=C(C1CCN(CC1)[*:1])N1CCC[C@H]2CCCC[C@H]21
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 Cc1nn(C)c(C)c1C(=O)[*:1] O=C1C([O-])=C([C@H](c2cccnc2)N1CCCN1CCOCC1)[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 c1cncc(c1)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 C1CN(CCO1)CC[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccnc1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 C1CN(CCO1)C[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1cccnc1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 Cc1nn(C)c(C)c1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccnc2)N1CCCN1CCOCC1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 C1CN(CCO1)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCC[*:1])[C@H]1c1cccnc1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccnc1 C(CN1CCOCC1)C[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N([C@H]1c1cccnc1)[*:1]
CCOC(=O)C1CCN(C(=O)c2c(-c3ccccc3)nnc3ccc(C)cc23)CC1 CCOC(=O)[*:1] Cc1ccc2nnc(-c3ccccc3)c(C(=O)N3CCC(CC3)[*:1])c2c1
CCOC(=O)C1CCN(C(=O)c2c(-c3ccccc3)nnc3ccc(C)cc23)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)c1c(nnc2ccc(C)cc12)[*:1]
O=C(CSC1CCCC1)Nc1cccc2ncccc12 C1CCC(C1)[*:1] O=C(CS[*:1])Nc1cccc2ncccc12
O=C(CSC1CCCC1)Nc1cccc2ncccc12 C1CCC(C1)S[*:1] O=C(C[*:1])Nc1cccc2ncccc12
CC(=O)Nc1ccc(C)cc1NCC(=O)NCC1CCCCC1 C1CCC(CC1)[*:1] CC(=O)Nc1ccc(C)cc1NCC(=O)NC[*:1]
CC(=O)Nc1ccc(C)cc1NCC(=O)NCC1CCCCC1 C1CCC(CC1)C[*:1] CC(=O)Nc1ccc(C)cc1NCC(=O)N[*:1]
CC(=O)Nc1ccc(C)cc1NCC(=O)NCC1CCCCC1 CC(=O)N[*:1] Cc1ccc(c(c1)NCC(=O)NCC1CCCCC1)[*:1]
COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)cc1 COc1ccc(cc1)C[*:1] O=C1/C(=C/c2ccc(Cl)cc2)Oc2c1ccc1OCN(Cc12)[*:1]
COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)cc1 COc1ccc(cc1)[*:1] O=C1/C(=C/c2ccc(Cl)cc2)Oc2c1ccc1OCN(Cc12)C[*:1]
COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccc(Cl)cc2)C4=O)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)CN1COc2ccc3C(=O)C(=C[*:1])Oc3c2C1
Cc1nc2nc(NC(=O)[C@H]3CCCO3)nn2c(O)c1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc2nc(nn2c(O)c1[*:1])NC(=O)[C@H]1CCCO1
Cc1nc2nc(NC(=O)[C@H]3CCCO3)nn2c(O)c1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2nc(nn2c(O)c1C[*:1])NC(=O)[C@H]1CCCO1
CCc1cccc2cc(C[NH2+]CCc3ccccc3C)c(=O)[nH]c12 Cc1ccccc1[*:1] CCc1cccc2cc(C[NH2+]CC[*:1])c(=O)[nH]c12
CCc1cccc2cc(C[NH2+]CCc3ccccc3C)c(=O)[nH]c12 Cc1ccccc1C[*:1] CCc1cccc2cc(C[NH2+]C[*:1])c(=O)[nH]c12
COc1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(Nc1ccc2nn(nc2c1)[*:1])c1ccc2OCOc2c1
COc1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1Cl c1cc2OCOc2cc1[*:1] COc1ccc(cc1Cl)-n1nc2ccc(cc2n1)NC(=O)[*:1]
O=C(Nc1cccc(CO)c1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 OCc1cccc(c1)[*:1] O=C(N[*:1])c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
O=C(Nc1cccc(CO)c1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)CO)c1cn(nc1-c1ccc(Cl)cc1)[*:1]
O=C(Nc1cccc(CO)c1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)CO)c1cn(C[*:1])nc1-c1ccc(Cl)cc1
O=C(Nc1cccc(CO)c1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)CO)c1cn(Cc2ccccc2)nc1[*:1]
C[C@H](C1CC1)N(C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 C[C@H](C1CC1)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])N(C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 C1CC1[*:1] C[C@H](C1CC1)N(C(=O)Nc1ccccc1[N+](=O)[O-])[*:1]
C[C@H](C1CC1)N(C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 C1CC1[*:1] C[C@H](N(C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 O=[N+]([O-])[*:1] C[C@H](C1CC1)N(C(=O)Nc1ccccc1[*:1])C1CC1
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)NC1CC1 C1CO[C@@H](C1)C[*:1] O=C(Nc1cnn(c1)[*:1])NC1CC1
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)NC1CC1 C1CO[C@@H](C1)[*:1] O=C(Nc1cnn(c1)C[*:1])NC1CC1
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)NC1CC1 C1CC1[*:1] O=C(Nc1cnn(c1)C[C@@H]1CCCO1)N[*:1]
C1C[C@H](c2noc(C3CC3)n2)N(Cc2nnnn2C2CC2)C1 C1CC1[*:1] C1C[C@H](c2noc(n2)[*:1])N(C1)Cc1nnnn1C1CC1
C1C[C@H](c2noc(C3CC3)n2)N(Cc2nnnn2C2CC2)C1 C1CC1[*:1] C1C[C@H](c2noc(n2)C2CC2)N(C1)Cc1nnnn1[*:1]
CCOC(=O)[C@@H]1[C@@H](c2ccc(O)c(OC)c2)c2c(O)n[nH]c2C[C@@]1(C)O CCOC(=O)[*:1] COc1cc(ccc1O)[C@H]1c2c(O)n[nH]c2C[C@@](C)(O)[C@@H]1[*:1]
O=C(Cn1nnc2ccccc2c1=O)Nc1ccccc1OC(F)F FC(F)[*:1] O=C(Cn1nnc2ccccc2c1=O)Nc1ccccc1O[*:1]
O=C(Cn1nnc2ccccc2c1=O)Nc1ccccc1OC(F)F FC(F)O[*:1] O=C(Cn1nnc2ccccc2c1=O)Nc1ccccc1[*:1]
CCOC(=O)c1c(C)oc2[nH]c(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)nc(=O)c12 CCOC(=O)[*:1] Cc1oc2[nH]c(CN3CCN(CC3)c3ncc(cc3Cl)C(F)(F)F)nc(=O)c2c1[*:1]
CCOC(=O)c1c(C)oc2[nH]c(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)nc(=O)c12 FC(F)(F)c1cnc(c(Cl)c1)[*:1] CCOC(=O)c1c(C)oc2[nH]c(CN3CCN(CC3)[*:1])nc(=O)c12
CCOC(=O)c1c(C)oc2[nH]c(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)nc(=O)c12 FC(F)(F)[*:1] CCOC(=O)c1c(C)oc2[nH]c(CN3CCN(CC3)c3ncc(cc3Cl)[*:1])nc(=O)c12
CCN(CCc1ccccc1)C(=O)C1C[C@H](C)O[C@@H](C)C1 c1ccc(cc1)C[*:1] CCN(C[*:1])C(=O)C1C[C@H](C)O[C@@H](C)C1
CCN(CCc1ccccc1)C(=O)C1C[C@H](C)O[C@@H](C)C1 c1ccc(cc1)[*:1] CCN(CC[*:1])C(=O)C1C[C@H](C)O[C@@H](C)C1
CCC[C@@H](C)NC(=O)CNn1c(C)ccc1C CCC[C@@H](C)[*:1] Cc1ccc(C)n1NCC(=O)N[*:1]
CCC[C@@H](C)NC(=O)CNn1c(C)ccc1C CCC[*:1] Cc1ccc(C)n1NCC(=O)N[C@H](C)[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C)cs2)cc1 CC(=O)NCC[*:1] Cc1csc(n1)[C@H](C)[NH2+][C@H](C)c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C)cs2)cc1 CC(=O)NC[*:1] Cc1csc(n1)[C@H](C)[NH2+][C@H](C)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C)cs2)cc1 CC(=O)N[*:1] Cc1csc(n1)[C@H](C)[NH2+][C@H](C)c1ccc(cc1)CC[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C)cs2)cc1 Cc1csc(n1)[*:1] CC(=O)NCCc1ccc(cc1)[C@@H](C)[NH2+][C@@H](C)[*:1]
CC(C)[C@@](C)(O)CNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 CC(C)[*:1] C[C@@H]1CN(C(=O)C(=O)NC[C@@](C)(O)[*:1])c2ccccc2O1
Cn1ccc(CNC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)n1 O=C([O-])[*:1] Cn1ccc(CNC(=O)[C@H]2[C@@H]([C@H]3CC[C@@H]2C3)[*:1])n1
Cn1ccc(CNC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)n1 Cn1ccc(n1)[*:1] O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)NC[*:1]
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](C)[S@](C)=O)c1 CNS(=O)(=O)[*:1] C[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1cccc(c1)[*:1]
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](C)[S@](C)=O)c1 C[S@](=O)[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)[NH2+]C[C@@H](C)[*:1]
COC(=O)C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC1 COC(=O)C[*:1] O=C(N[C@H](C1CC1)[*:1])c1ccc(F)c(c1)C(F)(F)F
COC(=O)C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] COC(=O)C[C@H](NC(=O)c1ccc(F)c(c1)[*:1])C1CC1
COC(=O)C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC1 C1CC1[*:1] COC(=O)C[C@H](NC(=O)c1ccc(F)c(c1)C(F)(F)F)[*:1]
COC(=O)C[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC1 COC(=O)[*:1] O=C(N[C@@H](C[*:1])C1CC1)c1ccc(F)c(c1)C(F)(F)F
O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1cccnc1)Nc1ccccc1 c1cncc(c1)[*:1] O=C(C[C@@H]1C(=O)N(C(=O)N1C[*:1])c1ccc(Cl)cc1)Nc1ccccc1
O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1cccnc1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C1[C@@H](C[*:1])N(Cc2cccnc2)C(=O)N1c1ccc(Cl)cc1
O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1cccnc1)Nc1ccccc1 Clc1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)N(C(=O)N1Cc1cccnc1)[*:1])Nc1ccccc1
O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1cccnc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)N(C(=O)N1Cc1cccnc1)c1ccc(Cl)cc1)N[*:1]
O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1cccnc1)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=C1[C@H](N(Cc2cccnc2)C(=O)N1c1ccc(Cl)cc1)[*:1]
O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1cccnc1)Nc1ccccc1 c1cncc(c1)C[*:1] O=C(C[C@@H]1C(=O)N(C(=O)N1[*:1])c1ccc(Cl)cc1)Nc1ccccc1
Cc1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(c(=O)n(C)c(=O)n1[*:1])N1CCN(CC1)C(=O)c1ccc(Cl)cc1
Cc1c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 Clc1ccc(cc1)[*:1] Cc1c(c(=O)n(C)c(=O)n1-c1ccccc1)N1CCN(CC1)C(=O)[*:1]
NC(=O)[C@@H](OC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1 NC(=O)[*:1] O=C(CN1C(=O)CSc2ccccc21)O[C@@H](c1ccccc1)[*:1]
NC(=O)[C@@H](OC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](OC(=O)CN1C(=O)CSc2ccccc21)[*:1]
CCCCOCC(=O)N1CCO[C@]2(C[NH2+]CCOC2)C1 CCC[*:1] O=C(COC[*:1])N1CCO[C@]2(C[NH2+]CCOC2)C1
CCCCOCC(=O)N1CCO[C@]2(C[NH2+]CCOC2)C1 CCCCO[*:1] O=C(C[*:1])N1CCO[C@]2(C[NH2+]CCOC2)C1
CCCCOCC(=O)N1CCO[C@]2(C[NH2+]CCOC2)C1 CCCCOC[*:1] O=C(N1CCO[C@]2(C[NH2+]CCOC2)C1)[*:1]
CCCCOCC(=O)N1CCO[C@]2(C[NH2+]CCOC2)C1 CCCC[*:1] O=C(CO[*:1])N1CCO[C@]2(C[NH2+]CCOC2)C1
Cc1ccccc1-c1nn(CN2CCc3sccc3C2)c(=S)n1C Cc1ccccc1[*:1] Cn1c(nn(CN2CCc3sccc3C2)c1=S)[*:1]
CCN(Cc1noc(-c2cccs2)n1)CC(C)(C)C[NH3+] CC(C)(C[NH3+])C[*:1] CCN(Cc1noc(n1)-c1cccs1)[*:1]
CCN(Cc1noc(-c2cccs2)n1)CC(C)(C)C[NH3+] c1csc(c1)[*:1] CCN(Cc1noc(n1)[*:1])CC(C)(C)C[NH3+]
CN(Cc1nnc2ccccn12)C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CN(Cc1nnc2ccccn12)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CN(Cc1nnc2ccccn12)C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 c1ccn2c(nnc2c1)[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(C1)c1cccc(Cl)c1
CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(C(=O)NC)cc2)c1 CNC(=O)[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)/C=C/c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(C(=O)NC)cc2)c1 CCC(=O)N[*:1] CNC(=O)c1ccc(/C=C/C(=O)Nc2cc(ccc2Cl)[*:1])cc1
C[C@]1(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CCCO1 C[C@@]1(CCCO1)[*:1] [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC[*:1]
COCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)[C@@H]1CCCCCN1C(=O)[*:1]
CC(C)[C@H](C)NC(=O)c1cnc(-c2cccc(C(=O)N(C)C3CCCCC3)c2)nc1 C1CCC(CC1)[*:1] CC(C)[C@H](C)NC(=O)c1cnc(nc1)-c1cccc(c1)C(=O)N(C)[*:1]
CC(C)[C@H](C)NC(=O)c1cnc(-c2cccc(C(=O)N(C)C3CCCCC3)c2)nc1 CC(C)[*:1] C[C@H](NC(=O)c1cnc(nc1)-c1cccc(c1)C(=O)N(C)C1CCCCC1)[*:1]
CC(C)[C@H](C)NC(=O)c1cnc(-c2cccc(C(=O)N(C)C3CCCCC3)c2)nc1 CN(C(=O)[*:1])C1CCCCC1 CC(C)[C@H](C)NC(=O)c1cnc(nc1)-c1cccc(c1)[*:1]
CCC[C@H](O)CNS(=O)(=O)N1CCCCCC1 CCC[*:1] O=S(=O)(NC[C@@H](O)[*:1])N1CCCCCC1
CCC[C@H](O)CNS(=O)(=O)N1CCCCCC1 CCC[C@H](O)[*:1] O=S(=O)(NC[*:1])N1CCCCCC1
Cc1csc(NC(=O)CS[C@@H]2N=N[C@H](c3ccoc3C)O2)n1 Cc1csc(n1)[*:1] Cc1occc1[C@H]1N=N[C@H](O1)SCC(=O)N[*:1]
Cc1csc(NC(=O)CS[C@@H]2N=N[C@H](c3ccoc3C)O2)n1 Cc1occc1[*:1] Cc1csc(n1)NC(=O)CS[C@@H]1N=N[C@H](O1)[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2C)cc1 CC(C)[*:1] C[C@H](NC(=O)N1CCCC[C@@H]1C)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2C)cc1 CC(C)O[*:1] C[C@H](NC(=O)N1CCCC[C@@H]1C)c1ccc(cc1)[*:1]
Cc1ccc([C@H](CNC(=O)c2ccc3oc(C(C)C)nc3c2)[NH+](C)C)o1 Cc1ccc(o1)[*:1] CC(C)c1nc2cc(ccc2o1)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1ccc([C@H](CNC(=O)c2ccc3oc(C(C)C)nc3c2)[NH+](C)C)o1 CC(C)[*:1] Cc1ccc(o1)[C@H](CNC(=O)c1ccc2oc(nc2c1)[*:1])[NH+](C)C
O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)N[C@H]1CCc2cc(F)ccc21 Fc1cc(ccc1Cl)[*:1] O=C(N[C@H]1CCc2cc(F)ccc21)N[C@H](CO)[*:1]
COc1ccc2c(c1)CCc1sc(/N=C/c3cccnc3)nc1-2 c1cncc(c1)[*:1] COc1ccc2c(c1)CCc1sc(N=C[*:1])nc1-2
C[C@H]1Cc2ccccc2[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccco1 c1coc(c1)C[*:1] C[C@H]1Cc2ccccc2[C@H]1NC(=O)N(CC[NH+](C)C)[*:1]
C[C@H]1Cc2ccccc2[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccco1 c1coc(c1)[*:1] C[C@H]1Cc2ccccc2[C@H]1NC(=O)N(CC[NH+](C)C)C[*:1]
COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)N1CCCC1 NS(=O)(=O)[*:1] COc1ccc(cc1C(=O)O[C@@H](C)C(=O)N1CCCC1)[*:1]
COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] COc1ccc(cc1C(=O)O[C@@H](C)[*:1])S(N)(=O)=O
[NH3+]Cc1ccccc1-n1nc(C(F)(F)F)c2c1CCC2 FC(F)(F)[*:1] [NH3+]Cc1ccccc1-n1nc(c2CCCc21)[*:1]
Cn1nnnc1SCC(=O)N[C@H](c1ccccc1)C(F)(F)F Cn1nnnc1[*:1] O=C(CS[*:1])N[C@H](c1ccccc1)C(F)(F)F
Cn1nnnc1SCC(=O)N[C@H](c1ccccc1)C(F)(F)F Cn1nnnc1S[*:1] O=C(C[*:1])N[C@H](c1ccccc1)C(F)(F)F
Cn1nnnc1SCC(=O)N[C@H](c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] Cn1nnnc1SCC(=O)N[C@H](C(F)(F)F)[*:1]
Cn1nnnc1SCC(=O)N[C@H](c1ccccc1)C(F)(F)F FC(F)(F)[*:1] Cn1nnnc1SCC(=O)N[C@H](c1ccccc1)[*:1]
O=C(OCCNc1ccc(-c2ccccc2)n[nH+]1)c1ccc2nncn2c1 c1ccc(cc1)[*:1] O=C(OCCNc1ccc(n[nH+]1)[*:1])c1ccc2nncn2c1
O=C(OCCNc1ccc(-c2ccccc2)n[nH+]1)c1ccc2nncn2c1 c1cc2nncn2cc1[*:1] O=C(OCCNc1ccc(n[nH+]1)-c1ccccc1)[*:1]
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCC2CCOCC2)o1 Cc1ccc(C[*:1])o1 CN(CCC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1[*:1]
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCC2CCOCC2)o1 C1CC(CCO1)CC[*:1] Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)[*:1])o1
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCC2CCOCC2)o1 C1CC(CCO1)[*:1] Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CC[*:1])o1
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCC2CCOCC2)o1 C1CC(CCO1)C[*:1] Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)C[*:1])o1
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCC2CCOCC2)o1 Cc1ccc(o1)[*:1] CN(CCC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1C[*:1]
Cn1c(Sc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1F Fc1ccccc1[*:1] Cn1c(nnc1[*:1])Sc1ccccc1[N+](=O)[O-]
Cn1c(Sc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1F O=[N+]([O-])[*:1] Cn1c(nnc1-c1ccccc1F)Sc1ccccc1[*:1]
COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C)s1 COCC[*:1] Cc1ccccc1C[NH2+][C@@H](C)c1sc(nc1C)[*:1]
COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C)s1 Cc1ccccc1[*:1] COCCc1nc(C)c(s1)[C@H](C)[NH2+]C[*:1]
COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C)s1 COC[*:1] Cc1ccccc1C[NH2+][C@@H](C)c1sc(C[*:1])nc1C
C[C@H](CCOc1ccccc1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 c1ccc(cc1)[*:1] C[C@H](CCO[*:1])C(=O)N1CCO[C@@H](C1)c1cccc(F)c1
C[C@H](CCOc1ccccc1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 c1ccc(cc1)O[*:1] C[C@H](CC[*:1])C(=O)N1CCO[C@@H](C1)c1cccc(F)c1
C[C@H](CCOc1ccccc1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] C[C@H](CCOc1ccccc1)C(=O)N1CCO[C@H](C1)[*:1]
C[C@H](CCOc1ccccc1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 c1ccc(cc1)OC[*:1] C[C@H](C[*:1])C(=O)N1CCO[C@@H](C1)c1cccc(F)c1
C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C(N)=O)o1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)NCc1ccc(o1)C(N)=O)[*:1]
C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C(N)=O)o1)c1ccc(F)cc1 NC(=O)c1ccc(o1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[*:1])c1ccc(F)cc1
C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C(N)=O)o1)c1ccc(F)cc1 NC(=O)[*:1] C[NH+](C)[C@@H](CNC(=O)NCc1ccc(o1)[*:1])c1ccc(F)cc1
Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+](CC(C)C)C(C)C CC(C)C[*:1] Cc1cccc(c1NC(=O)C[NH+](C(C)C)[*:1])[N+](=O)[O-]
Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+](CC(C)C)C(C)C CC(C)[*:1] Cc1cccc(c1NC(=O)C[NH+](CC(C)C)[*:1])[N+](=O)[O-]
Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+](CC(C)C)C(C)C O=[N+]([O-])[*:1] Cc1cccc(c1NC(=O)C[NH+](CC(C)C)C(C)C)[*:1]
Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+](CC(C)C)C(C)C CC(C)[*:1] Cc1cccc(c1NC(=O)C[NH+](C[*:1])C(C)C)[N+](=O)[O-]
C#CCCN1CCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C#CCCN1CCN(CC1)C(=O)C[C@@H](O)[*:1]
C#CCCN1CCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 C#CC[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
C#CCCN1CCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 C#CCC[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
O=C(/C=C/c1ccc(F)cc1)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 C1CN(CCO1)CC[*:1] O=C(/C=C/c1ccc(F)cc1)Nc1ccc(cc1)C(=O)N[*:1]
O=C(/C=C/c1ccc(F)cc1)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(/C=C/c1ccc(F)cc1)Nc1ccc(cc1)C(=O)NCC[*:1]
O=C(/C=C/c1ccc(F)cc1)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 Fc1ccc(C=C[*:1])cc1 O=C(NCCN1CCOCC1)c1ccc(cc1)NC(=O)[*:1]
O=C(/C=C/c1ccc(F)cc1)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=C(/C=C/c1ccc(F)cc1)Nc1ccc(cc1)C(=O)NC[*:1]
O=C(/C=C/c1ccc(F)cc1)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 Fc1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)C(=O)NCCN1CCOCC1
Cc1onc(-c2ccc(F)cc2F)c1C(=O)Nc1ccccc1Cl Fc1ccc(c(F)c1)[*:1] Cc1onc(c1C(=O)Nc1ccccc1Cl)[*:1]
Cc1onc(-c2ccc(F)cc2F)c1C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] Cc1onc(-c2ccc(F)cc2F)c1C(=O)N[*:1]
O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(NNC(=O)[*:1])c1cc(Cl)ccc1O
CC[NH+](CC(=O)Nc1c(C)n[nH]c1C)CC1CC[NH2+]CC1 Cc1n[nH]c(C)c1[*:1] CC[NH+](CC(=O)N[*:1])CC1CC[NH2+]CC1
O=C([O-])CS(=O)(=O)[C@@H]1CCOC2(CCCCC2)C1 O=C([O-])C[*:1] O=S(=O)([C@@H]1CCOC2(CCCCC2)C1)[*:1]
O=C([O-])CS(=O)(=O)[C@@H]1CCOC2(CCCCC2)C1 O=C([O-])[*:1] O=S(=O)(C[*:1])[C@@H]1CCOC2(CCCCC2)C1
C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 O=C(N1CCOCC1)[*:1] C[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)/N=c1\[nH]ccn1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)/N=c1\[nH]ccn1C[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)/N=c1\[nH]ccn1Cc1ccccc1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)/N=c1\[nH]ccn1Cc1ccccc1
C[C@H](NC(=O)c1ccoc1)C(=O)/N=c1\[nH]ccn1Cc1ccccc1 O=C(N[*:1])c1ccoc1 C[C@H](C(=O)/N=c1\[nH]ccn1Cc1ccccc1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)/N=c1\[nH]ccn1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)/N=c1\[nH]ccn1[*:1]
C#CCN(CC#C)CC(=O)NCc1ccc(OC)cc1 C#CC[*:1] C#CCN(CC(=O)NCc1ccc(cc1)OC)[*:1]
CO/N=C/c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1 CON=C[*:1] CS(=O)(=O)c1ccc(cc1)CNC(=O)c1ccc(cc1)[*:1]
CO/N=C/c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] CO/N=C/c1ccc(cc1)C(=O)NCc1ccc(cc1)[*:1]
COc1ccccc1CNC(=O)c1nn(C)c(=O)c2ccccc12 COc1ccccc1[*:1] Cn1nc(C(=O)NC[*:1])c2ccccc2c1=O
COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2C)[NH+](C)C)c1 COc1cccc(c1)[*:1] Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2C)[NH+](C)C)c1 Cc1ccc(F)cc1[*:1] COc1cccc(c1)[C@H](CNC(=O)C(=O)N[*:1])[NH+](C)C
CCC[C@H](C)[C@H]1CC(=O)NC(=O)[C@@H]1C(C)C CCC[*:1] CC(C)[C@H]1C(=O)NC(=O)C[C@@H]1[C@@H](C)[*:1]
CCC[C@H](C)[C@H]1CC(=O)NC(=O)[C@@H]1C(C)C CC(C)[*:1] CCC[C@H](C)[C@H]1CC(=O)NC(=O)[C@H]1[*:1]
CCC[C@H](C)[C@H]1CC(=O)NC(=O)[C@@H]1C(C)C CCC[C@H](C)[*:1] CC(C)[C@H]1C(=O)NC(=O)C[C@@H]1[*:1]
CCC[NH2+][C@H](C)c1cc(F)ccc1Oc1cccnc1C Cc1ncccc1[*:1] CCC[NH2+][C@H](C)c1cc(F)ccc1O[*:1]
CCC[NH2+][C@H](C)c1cc(F)ccc1Oc1cccnc1C CCC[*:1] Cc1ncccc1Oc1ccc(F)cc1[C@@H](C)[NH2+][*:1]
Cn1c(=O)c(C(=O)N2CCN(c3ccccc3)CC2)nc2cccnc21 c1ccc(cc1)[*:1] Cn1c(=O)c(nc2cccnc21)C(=O)N1CCN(CC1)[*:1]
CN(CC(=O)NC(C)(C)CC(C)(C)C)C1=NS(=O)(=O)c2ccccc21 CC(C)(C)CC(C)(C)[*:1] CN(CC(=O)N[*:1])C1=NS(=O)(=O)c2ccccc21
CN(CC(=O)NC(C)(C)CC(C)(C)C)C1=NS(=O)(=O)c2ccccc21 CC(C)(C)[*:1] CN(CC(=O)NC(C)(C)C[*:1])C1=NS(=O)(=O)c2ccccc21
CN(CC(=O)NC(C)(C)CC(C)(C)C)C1=NS(=O)(=O)c2ccccc21 CC(C)(C)C[*:1] CN(CC(=O)NC(C)(C)[*:1])C1=NS(=O)(=O)c2ccccc21
COc1cc(C(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)cc(OC)c1OC Clc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]1[*:1]
CCS(=O)(=O)N(CCC(N)=O)Cc1ccccc1 NC(=O)[*:1] CCS(=O)(=O)N(CC[*:1])Cc1ccccc1
CCS(=O)(=O)N(CCC(N)=O)Cc1ccccc1 NC(=O)CC[*:1] CCS(=O)(=O)N(Cc1ccccc1)[*:1]
CCS(=O)(=O)N(CCC(N)=O)Cc1ccccc1 NC(=O)C[*:1] CCS(=O)(=O)N(Cc1ccccc1)C[*:1]
CCS(=O)(=O)N(CCC(N)=O)Cc1ccccc1 c1ccc(cc1)[*:1] CCS(=O)(=O)N(CCC(N)=O)C[*:1]
COc1ccc([C@@H]([NH2+][C@H](C)c2ccccn2)c2ccccc2Cl)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)[C@@H]([NH2+][C@H](C)[*:1])c1ccccc1Cl
COc1ccc([C@@H]([NH2+][C@H](C)c2ccccn2)c2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H](c1ccccc1Cl)[*:1])c1ccccn1
COc1ccc([C@@H]([NH2+][C@H](C)c2ccccn2)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)[C@@H]([NH2+][C@H](C)c1ccccn1)[*:1]
O=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(cc1)O[*:1]
O=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(cc1)[*:1]
O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)[*:1]
COc1cc(OC)c([C@H]2C(C(N)=O)=C(C)Nc3nc(-c4cccc(Cl)c4)nn32)cc1OC Clc1cccc(c1)[*:1] COc1cc(OC)c(cc1OC)[C@H]1C(C(N)=O)=C(C)Nc2nc(nn21)[*:1]
COc1cc(OC)c([C@H]2C(C(N)=O)=C(C)Nc3nc(-c4cccc(Cl)c4)nn32)cc1OC NC(=O)[*:1] COc1cc(OC)c(cc1OC)[C@H]1C(=C(C)Nc2nc(nn21)-c1cccc(Cl)c1)[*:1]
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@@H]1Cc2ccccc2N1S(=O)(=O)[*:1]
O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cc2c(cc1Br)OCO2 O=[N+]([O-])[*:1] O=C1OC(=N/C1=C/c1cc2OCOc2cc1Br)c1ccc(cc1)[*:1]
CCOC(=O)CN(C)Cc1cc(=O)oc2cc(C)c(Cl)cc12 CCOC(=O)[*:1] Cc1cc2oc(=O)cc(CN(C)C[*:1])c2cc1Cl
CCOC(=O)CN(C)Cc1cc(=O)oc2cc(C)c(Cl)cc12 CCOC(=O)C[*:1] Cc1cc2oc(=O)cc(CN(C)[*:1])c2cc1Cl
CC(C)([NH3+])C#CCc1nc(C(C)(C)C)cs1 CC(C)([NH3+])[*:1] CC(C)(C)c1csc(CC#C[*:1])n1
CC(C)([NH3+])C#CCc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CC(C)([NH3+])C#CCc1nc(cs1)[*:1]
COc1ccccc1[C@H](c1cc(C)sc1NC(=O)c1ccco1)N1CCOCC1 COc1ccccc1[*:1] Cc1cc(c(NC(=O)c2ccco2)s1)[C@H](N1CCOCC1)[*:1]
COc1ccccc1[C@H](c1cc(C)sc1NC(=O)c1ccco1)N1CCOCC1 O=C(N[*:1])c1ccco1 COc1ccccc1[C@H](c1cc(C)sc1[*:1])N1CCOCC1
COc1ccccc1[C@H](c1cc(C)sc1NC(=O)c1ccco1)N1CCOCC1 c1coc(c1)[*:1] COc1ccccc1[C@H](c1cc(C)sc1NC(=O)[*:1])N1CCOCC1
COc1ccccc1[C@H](c1cc(C)sc1NC(=O)c1ccco1)N1CCOCC1 C1CN(CCO1)[*:1] COc1ccccc1[C@H](c1cc(C)sc1NC(=O)c1ccco1)[*:1]
C[C@@H](NC(=O)c1cnc(Oc2ccccc2)cn1)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](NC(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
C[C@@H](NC(=O)c1cnc(Oc2ccccc2)cn1)C1CCOCC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cnc(cn1)O[*:1])C1CCOCC1
C[C@@H](NC(=O)c1cnc(Oc2ccccc2)cn1)C1CCOCC1 c1ccc(cc1)O[*:1] C[C@@H](NC(=O)c1cnc(cn1)[*:1])C1CCOCC1
COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C Clc1ccc(c(Cl)c1)[*:1] COc1cc(ccc1-n1nc(C)c(/C=N/NC(=O)[*:1])c1C)[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C O=[N+]([O-])[*:1] COc1cc(ccc1-n1nc(C)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)[C@@H](C)c2cccs2)cc1 C[C@@H](c1cccs1)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)[C@@H](C)c2cccs2)cc1 CCS(=O)(=O)[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])c1cccs1
CCS(=O)(=O)c1ccc(NC(=O)[C@@H](C)c2cccs2)cc1 c1csc(c1)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)[C@@H](C)[*:1]
CCc1cc(OCC#N)nc(-c2cccc(Cl)c2)n1 N#CC[*:1] CCc1cc(nc(n1)-c1cccc(Cl)c1)O[*:1]
CCc1cc(OCC#N)nc(-c2cccc(Cl)c2)n1 N#CCO[*:1] CCc1cc(nc(n1)-c1cccc(Cl)c1)[*:1]
O=S(=O)(NC1CC1)[C@H]1CCN(Cc2cc[nH]n2)C1 C1CC1[*:1] O=S(=O)(N[*:1])[C@H]1CCN(Cc2cc[nH]n2)C1
O=S(=O)(NC1CC1)[C@H]1CCN(Cc2cc[nH]n2)C1 c1cc(n[nH]1)[*:1] O=S(=O)(NC1CC1)[C@H]1CCN(C1)C[*:1]
O=S(=O)(NC1CC1)[C@H]1CCN(Cc2cc[nH]n2)C1 c1cc(C[*:1])n[nH]1 O=S(=O)(NC1CC1)[C@H]1CCN(C1)[*:1]
CCC[C@H]1C[C@@H]1NC(=O)CCNC(=O)c1ccco1 CCC[*:1] O=C(CCNC(=O)c1ccco1)N[C@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@@H]1NC(=O)CCNC(=O)c1ccco1 c1coc(c1)[*:1] CCC[C@H]1C[C@@H]1NC(=O)CCNC(=O)[*:1]
COc1ccc2c(c1OC)OC(=O)[C@@H](CC(=O)N[C@@H](C)Cc1c[nH]c3ccccc13)[C@@H]2C c1ccc2c(c[nH]c2c1)[*:1] COc1ccc2c(OC(=O)[C@@H](CC(=O)N[C@@H](C)C[*:1])[C@@H]2C)c1OC
COc1ccc2c(c1OC)OC(=O)[C@@H](CC(=O)N[C@@H](C)Cc1c[nH]c3ccccc13)[C@@H]2C c1ccc2c(c[nH]c2c1)C[*:1] COc1ccc2c(OC(=O)[C@@H](CC(=O)N[C@@H](C)[*:1])[C@@H]2C)c1OC
Cc1ccc(CNC(=O)C[NH+]2CC(c3nc(-c4ncccn4)no3)C2)cc1 Cc1ccc(cc1)C[*:1] O=C(C[NH+]1CC(C1)c1nc(no1)-c1ncccn1)N[*:1]
Cc1ccc(CNC(=O)C[NH+]2CC(c3nc(-c4ncccn4)no3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(C[NH+]1CC(C1)c1nc(no1)-c1ncccn1)NC[*:1]
Cc1ccc(CNC(=O)C[NH+]2CC(c3nc(-c4ncccn4)no3)C2)cc1 c1cnc(nc1)[*:1] Cc1ccc(cc1)CNC(=O)C[NH+]1CC(C1)c1nc(no1)[*:1]
O=S(=O)(Nc1ccccc1Cn1cncn1)c1ccc2ccccc2c1 c1ncn(C[*:1])n1 O=S(=O)(Nc1ccccc1[*:1])c1ccc2ccccc2c1
O=S(=O)(Nc1ccccc1Cn1cncn1)c1ccc2ccccc2c1 c1ncn(n1)[*:1] O=S(=O)(Nc1ccccc1C[*:1])c1ccc2ccccc2c1
O=C(NC(=S)Nc1ccccc1O)c1cccc([N+](=O)[O-])c1 Oc1ccccc1[*:1] O=C(NC(=S)N[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(NC(=S)Nc1ccccc1O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccccc1O)c1cccc(c1)[*:1]
CSC[C@H](C)N(C)C(=O)/C=C/c1cn(C)c2ccccc12 CSC[*:1] C[C@H](N(C)C(=O)/C=C/c1cn(C)c2ccccc12)[*:1]
COc1cc(C(=O)Oc2ccc3cc(C(N)=O)c(=O)oc3c2)cc(OC)c1OC NC(=O)[*:1] COc1cc(cc(OC)c1OC)C(=O)Oc1ccc2cc(c(=O)oc2c1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)c3ccsc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@H](O)c1ccsc1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)c3ccsc3)CC2=O)cc1 O[C@H](c1ccsc1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)c3ccsc3)CC2=O)cc1 O[C@@H](C[*:1])c1ccsc1 Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)c3ccsc3)CC2=O)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NC[C@H](O)[*:1]
CN1C(=O)[C@H](CC(=O)Nc2ccc(I)cc2)S/C1=N\c1ccccc1 Ic1ccc(cc1)[*:1] CN1C(=O)[C@H](CC(=O)N[*:1])S/C1=N\c1ccccc1
CN1C(=O)[C@H](CC(=O)Nc2ccc(I)cc2)S/C1=N\c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)[C@H](CC(=O)Nc2ccc(I)cc2)SC1=N[*:1]
CN(C(=O)OC(C)(C)C)c1cc(Br)ccn1 CC(C)(C)[*:1] CN(C(=O)O[*:1])c1cc(Br)ccn1
CCOc1cc(S(=O)(=O)NC[C@H]2CCCO2)c(C)cc1C CCO[*:1] Cc1cc(C)c(cc1S(=O)(=O)NC[C@H]1CCCO1)[*:1]
CCOc1cc(S(=O)(=O)NC[C@H]2CCCO2)c(C)cc1C C1CO[C@H](C1)C[*:1] CCOc1cc(c(C)cc1C)S(=O)(=O)N[*:1]
CCOc1cc(S(=O)(=O)NC[C@H]2CCCO2)c(C)cc1C C1CO[C@H](C1)[*:1] CCOc1cc(c(C)cc1C)S(=O)(=O)NC[*:1]
Cc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(=O)[nH]1 Fc1ccc(cc1)[*:1] Cc1ccc(C(=O)N2CCC(CC2)[*:1])c(=O)[nH]1
COc1ccc(/C=c2\s/c(=C(/C#N)c3nnc4n3CCCCC4)n(-c3ccccc3)c2=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(/C=c2\s/c(=C(/C#N)c3nnc4CCCCCn43)n(c2=O)[*:1])cc1OC
COc1ccc(/C=c2\s/c(=C(/C#N)c3nnc4n3CCCCC4)n(-c3ccccc3)c2=O)cc1OC COc1ccc(cc1OC)[*:1] N#C/C(c1nnc2CCCCCn21)=c1/sc(=C[*:1])c(=O)n1-c1ccccc1
O=C(COc1ccccc1)NNC(=O)c1ccccc1Br Brc1ccccc1[*:1] O=C(COc1ccccc1)NNC(=O)[*:1]
O=C(COc1ccccc1)NNC(=O)c1ccccc1Br c1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=O)c1ccccc1Br
O=C(COc1ccccc1)NNC(=O)c1ccccc1Br c1ccc(cc1)O[*:1] O=C(C[*:1])NNC(=O)c1ccccc1Br
CNC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] O=C([O-])[*:1] CNC(=O)[C@H](C)Nc1ccc(cc1[*:1])C(F)(F)F
CNC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] FC(F)(F)[*:1] CNC(=O)[C@H](C)Nc1ccc(cc1C(=O)[O-])[*:1]
CNC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] CNC(=O)[*:1] C[C@H](Nc1ccc(cc1C(=O)[O-])C(F)(F)F)[*:1]
CNC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] CNC(=O)[C@H](C)[*:1] O=C([O-])c1cc(ccc1N[*:1])C(F)(F)F
COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)c1 COc1cccc(c1)[*:1] COc1ccc(Cl)cc1NC(=O)c1nnn(CC(=O)N[*:1])c1N
COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)c1 COc1ccc(Cl)cc1[*:1] COc1cccc(c1)NC(=O)Cn1nnc(C(=O)N[*:1])c1N
O=C(/C=C\c1ccccc1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 c1cc2OCOc2cc1[*:1] O=C(/C=C\c1ccccc1)N1CCC[C@H](C1)c1nnc(o1)[*:1]
O=C(/C=C\c1ccccc1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 c1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCC[C@H](C1)c1nnc(o1)-c1ccc2OCOc2c1
O=C(/C=C\c1ccccc1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 C(=C[*:1])c1ccccc1 O=C(N1CCC[C@H](C1)c1nnc(o1)-c1ccc2OCOc2c1)[*:1]
CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 NC(=O)[*:1] CCC(C)(C)NC(=O)CN(C(=O)c1snc(c1N)[*:1])c1cccc(C)c1
CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 CCC(C)(C)NC(=O)[*:1] Cc1cccc(c1)N(C[*:1])C(=O)c1snc(C(N)=O)c1N
CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 CCC(C)(C)NC(=O)C[*:1] Cc1cccc(c1)N(C(=O)c1snc(C(N)=O)c1N)[*:1]
CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)[*:1]
CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 NC(=O)c1nsc(c1N)[*:1] CCC(C)(C)NC(=O)CN(C(=O)[*:1])c1cccc(C)c1
CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 CCC(C)(C)[*:1] Cc1cccc(c1)N(CC(=O)N[*:1])C(=O)c1snc(C(N)=O)c1N
COc1ccc(C)cc1-n1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)n1 CN(C)C(=O)[*:1] COc1ccc(C)cc1-n1ccc(n1)C(=O)Nc1cc(ccc1C)[*:1]
COc1ccc(C)cc1-n1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)n1 COc1ccc(C)cc1[*:1] Cc1ccc(cc1NC(=O)c1ccn(n1)[*:1])C(=O)N(C)C
COC(=O)c1c(C)nn2c1ncc1c(=O)n(N3CC[NH+](C)CC3)ccc12 COC(=O)[*:1] Cc1nn2c(ncc3c(=O)n(ccc32)N2CC[NH+](C)CC2)c1[*:1]
CC[C@@H](C)n1c([O-])c(C(=O)COc2ccc(C)c(C)c2)c(C)c(C#N)c1=O Cc1ccc(cc1C)O[*:1] CC[C@@H](C)n1c([O-])c(C(=O)C[*:1])c(C)c(C#N)c1=O
CC[C@@H](C)n1c([O-])c(C(=O)COc2ccc(C)c(C)c2)c(C)c(C#N)c1=O Cc1ccc(cc1C)[*:1] CC[C@@H](C)n1c([O-])c(C(=O)CO[*:1])c(C)c(C#N)c1=O
C=CCC[C@H](C)c1ccccc1 C=CC[*:1] C[C@@H](C[*:1])c1ccccc1
C=CCC[C@H](C)c1ccccc1 C=CCC[*:1] C[C@H](c1ccccc1)[*:1]
Nc1nc(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cc(=O)[nH]1 Nc1nc(cc(=O)[nH]1)C[*:1] O=C(N1CCC[C@H](C1)c1[nH]ncc1-c1ccccc1)[*:1]
Nc1nc(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cc(=O)[nH]1 c1ccc(cc1)[*:1] Nc1nc(cc(=O)[nH]1)CC(=O)N1CCC[C@H](C1)c1[nH]ncc1[*:1]
Nc1nc(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cc(=O)[nH]1 Nc1nc(cc(=O)[nH]1)[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1[nH]ncc1-c1ccccc1
COC(=O)[C@]1(N)CC[C@H](N2CCn3cc[nH+]c3C2)C1 COC(=O)[*:1] N[C@@]1(CC[C@@H](C1)N1CCn2cc[nH+]c2C1)[*:1]
COC(=O)c1cccc(CCNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 COC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])N[C@H]1[C@H]2CCO[C@@H]2C12CCC2
Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccs4)cc3n2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)-n1nc2cc(C)c(cc2n1)NC(=S)NC(=O)[*:1]
Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccs4)cc3n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc2nn(nc2cc1NC(=S)NC(=O)c1cccs1)[*:1]
CNC(=O)[C@H]1CCCCN1C(=O)c1ccc2ccccc2n1 CNC(=O)[*:1] O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)c1 CC(=O)N[*:1] Cc1ccc(C)c(c1)-n1nnnc1SCC(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)c1 Cc1ccc(C)c(c1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nnnn1[*:1]
CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@H](C)[C@H](O)C1)C(C)C CC(C)C[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CC[C@H](C)[C@H](O)C1
CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@H](C)[C@H](O)C1)C(C)C CC(C)CC(=O)N[*:1] CC(C)[C@H](C(=O)N1CC[C@H](C)[C@H](O)C1)[*:1]
CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@H](C)[C@H](O)C1)C(C)C CC(C)[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)N1CC[C@H](C)[C@H](O)C1
CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@H](C)[C@H](O)C1)C(C)C CC(C)[*:1] CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@H](C)[C@H](O)C1)[*:1]
C[C@H](CNC(=O)c1ccc(C(N)=S)cc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccc(cc1)C(N)=S)O[*:1]
C[C@H](CNC(=O)c1ccc(C(N)=S)cc1)Oc1ccccc1 NC(=S)[*:1] C[C@H](CNC(=O)c1ccc(cc1)[*:1])Oc1ccccc1
C[C@H](CNC(=O)c1ccc(C(N)=S)cc1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNC(=O)c1ccc(cc1)C(N)=S)[*:1]
CCOc1ccc(C[NH2+]Cc2nc3ccccc3n2C)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C[NH2+]Cc1nc2ccccc2n1C
Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(C)c3cc12 O=C([O-])[*:1] Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@H](CC(C)C)[*:1])c(C)c3cc12
Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(C)c3cc12 CC(C)C[*:1] Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@H](C(=O)[O-])[*:1])c(C)c3cc12
Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(C)c3cc12 CC(C)[*:1] Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@H](C[*:1])C(=O)[O-])c(C)c3cc12
CN(CCC1(O)CCCC1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 OC1(CCCC1)CC[*:1] CN(C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1)[*:1]
CN(CCC1(O)CCCC1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 Fc1ccccc1[*:1] CN(CCC1(O)CCCC1)C(=O)[C@H]1CCC(=O)N(C1)C[*:1]
CN(CCC1(O)CCCC1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 OC1(CCCC1)[*:1] CN(CC[*:1])C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1
CN(CCC1(O)CCCC1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 Fc1ccccc1C[*:1] CN(CCC1(O)CCCC1)C(=O)[C@H]1CCC(=O)N(C1)[*:1]
CN(CCC1(O)CCCC1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 OC1(CCCC1)C[*:1] CN(C[*:1])C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1
Cc1ccc(NC(=O)c2cnc(Oc3ccccc3)cn2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)c1cnc(cn1)O[*:1]
Cc1ccc(NC(=O)c2cnc(Oc3ccccc3)cn2)cc1[N+](=O)[O-] c1ccc(cc1)O[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)c1cnc(cn1)[*:1]
Cc1ccc(NC(=O)c2cnc(Oc3ccccc3)cn2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cnc(cn1)Oc1ccccc1
COc1ccc(C)cc1N1/C(=N/C(=O)CC(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 CC(C)[*:1] COc1ccc(C)cc1N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
COc1ccc(C)cc1N1/C(=N/C(=O)CC(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 CC(C)C[*:1] COc1ccc(C)cc1N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
C[C@@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)[NH+](C)C Brc1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCN(CC1)C(=O)[*:1])[NH+](C)C
CN(C(=O)CC(=O)[O-])C1CCC(C)(C)CC1 O=C([O-])C[*:1] CN(C(=O)[*:1])C1CCC(C)(C)CC1
CN(C(=O)CC(=O)[O-])C1CCC(C)(C)CC1 O=C([O-])[*:1] CN(C(=O)C[*:1])C1CCC(C)(C)CC1
COCCNC(=O)Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O COC[*:1] O=C(Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O)NC[*:1]
COCCNC(=O)Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O COCC[*:1] O=C(Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O)N[*:1]
COCCNC(=O)Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O c1ccc(cc1)[*:1] COCCNC(=O)Cn1nc2c3ccccc3nc(C[*:1])n2c1=O
COCCNC(=O)Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O COCCNC(=O)C[*:1] O=c1n(nc2c3ccccc3nc(Cc3ccccc3)n12)[*:1]
COCCNC(=O)Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O COCCNC(=O)[*:1] O=c1n(C[*:1])nc2c3ccccc3nc(Cc3ccccc3)n12
COCCNC(=O)Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O c1ccc(cc1)C[*:1] COCCNC(=O)Cn1nc2c3ccccc3nc(n2c1=O)[*:1]
CC(=O)NCC1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 CC(=O)NC[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)[*:1]
CC(=O)NCC1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 CC(=O)N[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)C[*:1]
O=C(Nc1cnn(Cc2ccccc2)c1)c1ccccc1Br c1ccc(cc1)C[*:1] O=C(Nc1cnn(c1)[*:1])c1ccccc1Br
O=C(Nc1cnn(Cc2ccccc2)c1)c1ccccc1Br Brc1ccccc1[*:1] O=C(Nc1cnn(c1)Cc1ccccc1)[*:1]
O=C(Nc1cnn(Cc2ccccc2)c1)c1ccccc1Br c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)C[*:1])c1ccccc1Br
O=C(N[C@H](c1ccccc1)c1cccs1)c1ccc2ncsc2c1 c1ccc(cc1)[*:1] O=C(N[C@H](c1cccs1)[*:1])c1ccc2ncsc2c1
O=C(N[C@H](c1ccccc1)c1cccs1)c1ccc2ncsc2c1 c1csc(c1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1ccc2ncsc2c1
COc1ccc(Oc2ncnc(Nc3cc(F)ccc3F)c2[N+](=O)[O-])cc1 Fc1ccc(F)c(c1)[*:1] COc1ccc(cc1)Oc1ncnc(N[*:1])c1[N+](=O)[O-]
COc1ccc(Oc2ncnc(Nc3cc(F)ccc3F)c2[N+](=O)[O-])cc1 COc1ccc(cc1)O[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cc(F)ccc1F
COc1ccc(Oc2ncnc(Nc3cc(F)ccc3F)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)Oc1ncnc(Nc2cc(F)ccc2F)c1[*:1]
COc1ccc(Oc2ncnc(Nc3cc(F)ccc3F)c2[N+](=O)[O-])cc1 Fc1ccc(F)c(c1)N[*:1] COc1ccc(cc1)Oc1ncnc(c1[N+](=O)[O-])[*:1]
COc1ccc(Oc2ncnc(Nc3cc(F)ccc3F)c2[N+](=O)[O-])cc1 COc1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1O[*:1])Nc1cc(F)ccc1F
CCc1cccc(C(=O)N[C@H]2CCC[C@@H]2C(=O)OC)c1O COC(=O)[*:1] CCc1cccc(C(=O)N[C@H]2CCC[C@H]2[*:1])c1O
O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1])C1CC1
O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1)[*:1]
O=C([O-])CN(C(=O)[C@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)C1CC1 O=C([O-])C[*:1] O=C([C@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)N(C1CC1)[*:1]
O=C([O-])CN(C(=O)[C@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)C1CC1 C1CC1[*:1] O=C([O-])CN(C(=O)[C@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)[*:1]
O=C([O-])CN(C(=O)[C@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)C1CC1 O=C([O-])[*:1] O=C([C@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)N(C[*:1])C1CC1
O=C(Nc1ccc(NCc2ccc(F)cc2)cc1)[C@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)NC[*:1])[C@H]1CCCO1
O=C(NCc1nnc2n1CCCCC2)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C(NCc1nnc2CCCCCn21)[*:1]
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)Cc2ccco2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nn(cc1C(=O)N(C)Cc1ccco1)C[*:1]
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)Cc2ccco2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)-c1nn(cc1C(=O)N(C)[*:1])Cc1ccccc1
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)Cc2ccco2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1nn(cc1C(=O)N(C)Cc1ccco1)[*:1]
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)Cc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-c1nn(cc1C(=O)N(C)C[*:1])Cc1ccccc1
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)Cc2ccco2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1ccco1)C(=O)c1cn(Cc2ccccc2)nc1[*:1]
CCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc2c1CCCC2 Cc1ccc(CC[*:1])o1 CCOC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
CCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc2c1CCCC2 Cc1ccc(o1)[*:1] CCOC(=O)c1c(NC(=O)CC[*:1])sc2CCCCc21
CCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc2c1CCCC2 CCOC(=O)[*:1] Cc1ccc(CCC(=O)Nc2sc3CCCCc3c2[*:1])o1
CCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc2c1CCCC2 Cc1ccc(C[*:1])o1 CCOC(=O)c1c(NC(=O)C[*:1])sc2CCCCc21
CC1=NC(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(C)=N1 CC(C)[*:1] CC1=NC(=O)[C@@H](CC(=O)Nc2ccc(cc2)[*:1])C(C)=N1
CCC(CC)C(=O)NCc1ccccc1OC CCC(CC)[*:1] COc1ccccc1CNC(=O)[*:1]
Nc1nnnn1/N=C\c1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] Nc1nnnn1/N=C\c1cccc(c1)[*:1]
Nc1nnnn1/N=C\c1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] Nc1nnnn1/N=C\c1cccc(c1)O[*:1]
CC[NH2+][C@H](c1ccsc1)[C@@]1(N(C)C)CCC[C@H](C)C1 CN(C)[*:1] CC[NH2+][C@H](c1ccsc1)[C@]1(CCC[C@H](C)C1)[*:1]
CC[NH2+][C@H](c1ccsc1)[C@@]1(N(C)C)CCC[C@H](C)C1 c1cc(cs1)[*:1] CC[NH2+][C@H]([C@]1(CCC[C@H](C)C1)N(C)C)[*:1]
Cc1ccc(OC(F)(F)F)cc1Cl FC(F)(F)[*:1] Cc1ccc(cc1Cl)O[*:1]
CCOc1c(Cl)cc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)NCc1ccc(o1)-c1csc(C)n1
CCOc1c(Cl)cc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1OC Cc1nc(cs1)[*:1] CCOc1c(Cl)cc(cc1OC)C(=O)NCc1ccc(o1)[*:1]
COc1ccc2c(c1)[C@@]([NH3+])(Cc1cccs1)CCC2 c1csc(c1)[*:1] COc1ccc2CCC[C@]([NH3+])(C[*:1])c2c1
COc1ccc2c(c1)[C@@]([NH3+])(Cc1cccs1)CCC2 c1csc(c1)C[*:1] COc1ccc2CCC[C@]([NH3+])(c2c1)[*:1]
Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1 CC(C)[*:1] Cc1onc(c1C(=O)N1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1)[*:1]
Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2ccc(Br)cc2o1)[*:1]
CO[C@H](CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1)[*:1]
CO[C@H](CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CO[C@H](CNC(=O)[C@@H](C)NC(=O)N[*:1])c1ccc(F)cc1
CC(C)[C@H](CCO)NC(=O)C[C@H](O)c1ccc(Cl)cc1 OCC[*:1] CC(C)[C@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)[*:1]
CC(C)[C@H](CCO)NC(=O)C[C@H](O)c1ccc(Cl)cc1 CC(C)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H](CCO)[*:1]
Cc1cc(CS(=O)(=O)[C@@H](C(=O)N2CCCC2)c2ccccc2)no1 O=C(N1CCCC1)[*:1] Cc1cc(CS(=O)(=O)[C@@H](c2ccccc2)[*:1])no1
Cc1cc(CS(=O)(=O)[C@@H](C(=O)N2CCCC2)c2ccccc2)no1 Cc1cc(C[*:1])no1 O=C([C@@H](c1ccccc1)S(=O)(=O)[*:1])N1CCCC1
Cc1cc(CS(=O)(=O)[C@@H](C(=O)N2CCCC2)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(CS(=O)(=O)[C@@H](C(=O)N2CCCC2)[*:1])no1
Cc1cc(CS(=O)(=O)[C@@H](C(=O)N2CCCC2)c2ccccc2)no1 Cc1cc(no1)[*:1] O=C([C@@H](c1ccccc1)S(=O)(=O)C[*:1])N1CCCC1
C[C@@H](CCc1cccc(F)c1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 Fc1cccc(c1)C[*:1] C[C@@H](C[*:1])[NH2+]C1CCN(CC1)[C@@H](C)c1ccncc1
C[C@@H](CCc1cccc(F)c1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 C[C@@H](c1ccncc1)[*:1] C[C@@H](CCc1cccc(F)c1)[NH2+]C1CCN(CC1)[*:1]
C[C@@H](CCc1cccc(F)c1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 Fc1cccc(c1)[*:1] C[C@@H](CC[*:1])[NH2+]C1CCN(CC1)[C@@H](C)c1ccncc1
C[C@@H](CCc1cccc(F)c1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 c1cc(ccn1)[*:1] C[C@@H](CCc1cccc(F)c1)[NH2+]C1CCN(CC1)[C@@H](C)[*:1]
C[C@H](NS(C)(=O)=O)C(=O)NCCCn1ccc2ccccc21 CS(=O)(=O)N[*:1] C[C@H](C(=O)NCCCn1ccc2ccccc21)[*:1]
C[C@H](NS(C)(=O)=O)C(=O)NCCCn1ccc2ccccc21 C[C@H](NS(C)(=O)=O)[*:1] O=C(NCCCn1ccc2ccccc21)[*:1]
CC[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccccc3)nn12 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1cc(nc2cc(nn12)[*:1])-c1ccc(cc1)OC
CC[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2cc(-c3ccccc3)nn12 COc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1cc(nc2cc(nn12)-c1ccccc1)[*:1]
COCc1nc(C)c(C(=O)NCC2(C)Cc3ccccc3C2)s1 COC[*:1] Cc1nc(sc1C(=O)NCC1(C)Cc2ccccc2C1)[*:1]
Cc1ccc(SCCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)SCCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(SCCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)CCS[*:1]
Cc1ccc(SCCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 Cc1ccc(cc1)S[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)CC[*:1]
COC(=O)[C@@H]1CCN(C(=O)c2cnn(CCC(C)C)c2C)c2ccccc21 CC(C)CC[*:1] COC(=O)[C@@H]1CCN(C(=O)c2cnn(c2C)[*:1])c2ccccc21
COC(=O)[C@@H]1CCN(C(=O)c2cnn(CCC(C)C)c2C)c2ccccc21 COC(=O)[*:1] Cc1c(cnn1CCC(C)C)C(=O)N1CC[C@H](c2ccccc21)[*:1]
COC(=O)[C@@H]1CCN(C(=O)c2cnn(CCC(C)C)c2C)c2ccccc21 CC(C)[*:1] COC(=O)[C@@H]1CCN(C(=O)c2cnn(CC[*:1])c2C)c2ccccc21
COC(=O)[C@@H]1CCN(C(=O)c2cnn(CCC(C)C)c2C)c2ccccc21 CC(C)C[*:1] COC(=O)[C@@H]1CCN(C(=O)c2cnn(C[*:1])c2C)c2ccccc21
COC(=O)[C@@H]1CN(c2nc(C)nc3[nH]ccc23)CCO1 COC(=O)[*:1] Cc1nc(c2cc[nH]c2n1)N1CCO[C@@H](C1)[*:1]
O=C(NC[C@@H]1CCCO1)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)c1cccc(c1)OC[*:1]
O=C(NC[C@@H]1CCCO1)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1CCCO1)c1cccc(c1)O[*:1]
C[NH2+][C@H]1CCCCC[C@H]1CN(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] C[NH2+][C@H]1CCCCC[C@H]1CN(C)CC[*:1]
C[NH2+][C@H]1CCCCC[C@H]1CN(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] C[NH2+][C@H]1CCCCC[C@H]1CN(C)C[*:1]
C[NH2+][C@H]1CCCCC[C@H]1CN(C)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] C[NH2+][C@H]1CCCCC[C@H]1CN(C)[*:1]
COCCn1ccc2ccc(C(=O)Nc3ccc(OC)nc3)cc21 COC[*:1] COc1ccc(cn1)NC(=O)c1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(C(=O)Nc3ccc(OC)nc3)cc21 COCC[*:1] COc1ccc(cn1)NC(=O)c1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(C(=O)Nc3ccc(OC)nc3)cc21 COc1ccc(cn1)[*:1] COCCn1ccc2ccc(cc21)C(=O)N[*:1]
CCOC(=O)C1=C(C(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)C(C)=N[C@H]1C CCOC(=O)[*:1] CC1=N[C@@H](C)C(=C1C(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12)[*:1]
CC(C)C[C@H](C)N(C)C(=O)Cn1nnc2ccccc2c1=O CC(C)C[C@H](C)[*:1] CN(C(=O)Cn1nnc2ccccc2c1=O)[*:1]
CC(C)C[C@H](C)N(C)C(=O)Cn1nnc2ccccc2c1=O CC(C)[*:1] C[C@@H](C[*:1])N(C)C(=O)Cn1nnc2ccccc2c1=O
CC(C)C[C@H](C)N(C)C(=O)Cn1nnc2ccccc2c1=O CC(C)C[*:1] C[C@H](N(C)C(=O)Cn1nnc2ccccc2c1=O)[*:1]
CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CCNC(=O)[C@H](C)[NH+]1CCN(CC1)c1cccc(c1)[*:1]
CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 CCNC(=O)[*:1] C[C@H]([NH+]1CCN(CC1)c1cccc(c1)C(F)(F)F)[*:1]
COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(ccc1F)[*:1]
CC[C@@H]1CN(Cc2ncnn2CC)c2ccccc2C[NH2+]1 CCn1ncnc1[*:1] CC[C@@H]1CN(C[*:1])c2ccccc2C[NH2+]1
CCOc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1 Cc1cc(on1)[*:1] CCOc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)[*:1]
CCOc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1 CCO[*:1] Cc1cc(on1)-c1ccc(C)c(c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C)c(NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 CC(C)(C)[*:1] Cc1cc(C)c(NC(=O)CC2CCN(CC2)C(=O)O[*:1])c(C)c1
C[C@@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2ccccc2c1 FC(F)(F)[*:1] C[C@@H](NC(=O)CN1CCN(CC1)c1ccc(cn1)[*:1])c1ccc2ccccc2c1
C[C@@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2ccccc2c1 FC(F)(F)c1ccc(nc1)[*:1] C[C@@H](NC(=O)CN1CCN(CC1)[*:1])c1ccc2ccccc2c1
C[C@@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] C[C@@H](NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
CCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](C)Cc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](C)C[*:1]
Cc1cc(F)c([C@@](C)(CO)NCc2cccs2)cc1F c1csc(c1)[*:1] Cc1cc(F)c(cc1F)[C@@](C)(CO)NC[*:1]
Cc1cc(F)c([C@@](C)(CO)NCc2cccs2)cc1F c1csc(c1)C[*:1] Cc1cc(F)c(cc1F)[C@@](C)(CO)N[*:1]
CCC1(C[NH2+]CC2(CC(C)C)CCCC2)CC[NH2+]CC1 CC(C)C[*:1] CCC1(CC[NH2+]CC1)C[NH2+]CC1(CCCC1)[*:1]
CCC1(C[NH2+]CC2(CC(C)C)CCCC2)CC[NH2+]CC1 CC(C)[*:1] CCC1(CC[NH2+]CC1)C[NH2+]CC1(CCCC1)C[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCC(=O)Nc1nc(-c3ccccc3)cs1)C2=O c1ccc(cc1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCC(=O)Nc1nc(cs1)[*:1])C2=O
CN(C(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCSC1 O=C([O-])[*:1] CN(C(=O)N1CCC(CC1)[*:1])[C@H]1CCSC1
CN(C(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCSC1 C1C[C@@H](CS1)[*:1] CN(C(=O)N1CCC(CC1)C(=O)[O-])[*:1]
COCCCNC(=O)Cn1cccc1[C@@H](C)O COCC[*:1] C[C@@H](O)c1cccn1CC(=O)NC[*:1]
COCCCNC(=O)Cn1cccc1[C@@H](C)O COC[*:1] C[C@@H](O)c1cccn1CC(=O)NCC[*:1]
COCCCNC(=O)Cn1cccc1[C@@H](C)O COCCC[*:1] C[C@@H](O)c1cccn1CC(=O)N[*:1]
COCCCNC(=O)Cn1cccc1[C@@H](C)O C[C@@H](O)[*:1] COCCCNC(=O)Cn1cccc1[*:1]
CC(C)(C)c1ccc(Nc2ccc3nnc(C(F)F)n3n2)cc1 CC(C)(C)[*:1] FC(F)c1nnc2ccc(nn12)Nc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(Nc2ccc3nnc(C(F)F)n3n2)cc1 FC(F)[*:1] CC(C)(C)c1ccc(cc1)Nc1ccc2nnc(n2n1)[*:1]
COCCOc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1 COCC[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(cc1)O[*:1]
COCCOc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1 COCCO[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(cc1)[*:1]
COCCOc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1 COC[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(cc1)OC[*:1]
O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)N[*:1]
O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(COc1ccc(/C=N\NC(=O)[*:1])cc1)Nc1ccc(F)cc1
Cc1ccc(CC(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1O Cc1ccc(cc1O)[*:1] CC(C)C[C@@H](NC(=O)C[*:1])c1nc(no1)-c1nc[nH]n1
Cc1ccc(CC(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1O Cc1ccc(cc1O)C[*:1] CC(C)C[C@@H](NC(=O)[*:1])c1nc(no1)-c1nc[nH]n1
Cc1ccc(CC(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1O CC(C)[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](C[*:1])c1nc(no1)-c1nc[nH]n1
Cc1ccc(CC(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1O CC(C)C[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](c1nc(no1)-c1nc[nH]n1)[*:1]
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[*:1]
O=C(N/N=C\c1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2ccccc2)C1 FC(F)(F)[*:1] O=C(N/N=C\c1ccccc1[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
O=C(N/N=C\c1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N/N=C\c1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)c1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(C)cc4C)c(=O)n32)cc1 Cc1ccc(c(C)c1)[*:1] COC(=O)c1ccc(cc1)NC(=O)C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
COC(=O)c1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(C)cc4C)c(=O)n32)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)-n1ncc2c(=O)n3c(nc21)SC[C@H]3CC(=O)N[*:1]
COC(=O)c1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(C)cc4C)c(=O)n32)cc1 COC(=O)[*:1] Cc1ccc(c(C)c1)-n1ncc2c(=O)n3c(nc21)SC[C@H]3CC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C(=O)NC(NC(=O)c2ccc(OC)cc2)c2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)C(=O)NC(NC(=O)c1ccc(cc1)OC)[*:1]
COc1ccc(C(=O)NC(NC(=O)c2ccc(OC)cc2)c2ccc3c(c2)OCO3)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NC(NC(=O)[*:1])c1ccc2OCOc2c1
O=C([O-])c1ncc2ccccc2n1 O=C([O-])[*:1] c1ccc2nc(ncc2c1)[*:1]
CCOC(=O)[C@H](c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C CCOC(=O)[*:1] Cn1c(=O)c2c(ncn2[C@@H](c2ccccc2)[*:1])n(C)c1=O
CCOC(=O)[C@H](c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C c1ccc(cc1)[*:1] CCOC(=O)[C@H](n1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
Cc1nc(Cc2nn(C[NH+]3CCc4ccccc4C3)c(=S)o2)cs1 Cc1nc(cs1)C[*:1] S=c1oc(nn1C[NH+]1CCc2ccccc2C1)[*:1]
Cc1nc(Cc2nn(C[NH+]3CCc4ccccc4C3)c(=S)o2)cs1 Cc1nc(cs1)[*:1] S=c1oc(C[*:1])nn1C[NH+]1CCc2ccccc2C1
O=C(Cc1cc2ccccc2[nH]1)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NCCO)N2C1=O O=C(NCCO)[*:1] O=C(Cc1cc2ccccc2[nH]1)N[C@H]1CC[C@H]2CC[C@@H](N2C1=O)[*:1]
O=C(Cc1cc2ccccc2[nH]1)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NCCO)N2C1=O OCC[*:1] O=C(Cc1cc2ccccc2[nH]1)N[C@H]1CC[C@H]2CC[C@@H](C(=O)N[*:1])N2C1=O
O=C(Cc1cc2ccccc2[nH]1)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NCCO)N2C1=O c1ccc2[nH]c(cc2c1)[*:1] O=C(C[*:1])N[C@H]1CC[C@H]2CC[C@@H](C(=O)NCCO)N2C1=O
CCOC(=O)C1CCC(N2CCC[NH+](Cc3ccccc3)CC2)CC1 c1ccc(cc1)C[*:1] CCOC(=O)C1CCC(CC1)N1CCC[NH+](CC1)[*:1]
CCOC(=O)C1CCC(N2CCC[NH+](Cc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1CCC(CC1)N1CCC[NH+](CC1)C[*:1]
CCOC(=O)C1CCC(N2CCC[NH+](Cc3ccccc3)CC2)CC1 CCOC(=O)[*:1] c1ccc(cc1)C[NH+]1CCCN(CC1)C1CCC(CC1)[*:1]
CCNC(=O)CCCC(=O)Nc1cc(-c2ccccc2C)nn1C CCNC(=O)CCC[*:1] Cc1ccccc1-c1cc(NC(=O)[*:1])n(C)n1
CCNC(=O)CCCC(=O)Nc1cc(-c2ccccc2C)nn1C CCNC(=O)C[*:1] Cc1ccccc1-c1cc(NC(=O)CC[*:1])n(C)n1
CCNC(=O)CCCC(=O)Nc1cc(-c2ccccc2C)nn1C Cc1ccccc1[*:1] CCNC(=O)CCCC(=O)Nc1cc(nn1C)[*:1]
CCNC(=O)CCCC(=O)Nc1cc(-c2ccccc2C)nn1C CCNC(=O)CC[*:1] Cc1ccccc1-c1cc(NC(=O)C[*:1])n(C)n1
CCNC(=O)CCCC(=O)Nc1cc(-c2ccccc2C)nn1C CCNC(=O)[*:1] Cc1ccccc1-c1cc(NC(=O)CCC[*:1])n(C)n1
CC(C)c1ccccc1-n1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 CC(C)[*:1] C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1[*:1])C(=O)NC(N)=O
CC(C)c1ccccc1-n1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 NC(=O)NC(=O)[*:1] CC(C)c1ccccc1-n1c(nnc1-c1ccc(Cl)cc1)S[C@H](C)[*:1]
CC(C)c1ccccc1-n1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)c1ccccc1-n1c(nnc1[*:1])S[C@H](C)C(=O)NC(N)=O
CC(C)c1ccccc1-n1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 CC(C)c1ccccc1[*:1] C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1[*:1])C(=O)NC(N)=O
CC(C)(C)c1ncc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cn1 CC(C)(C)[*:1] O=C(c1cccc(c1)S(=O)(=O)[N-]c1cnc(nc1)[*:1])N1CCCC1
CC(C)(C)c1ncc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cn1 O=C(N1CCCC1)[*:1] CC(C)(C)c1ncc(cn1)[N-]S(=O)(=O)c1cccc(c1)[*:1]
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)CC1 Fc1ccc(cc1F)[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
Cc1ccccc1N1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1 Cc1ccccc1[*:1] O=C(CN1CCN(CC1)[*:1])Nc1cccc(Cl)c1Cl
Cc1ccccc1N1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1 Clc1cccc(c1Cl)[*:1] Cc1ccccc1N1CCN(CC1)CC(=O)N[*:1]
C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)C1CCC1 FC(F)(F)[*:1] C[C@H]([NH2+]Cc1cn(C)nc1[*:1])C1CCC1
C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)C1CCC1 C1CC(C1)[*:1] C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)[*:1]
C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)C1CCC1 C[C@H](C1CCC1)[*:1] Cn1cc(C[NH2+][*:1])c(n1)C(F)(F)F
Cc1ccccc1CCNC(=O)[C@@H](C)Sc1nnnn1C(C)(C)C Cc1ccccc1[*:1] C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)NCC[*:1]
Cc1ccccc1CCNC(=O)[C@@H](C)Sc1nnnn1C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1CCNC(=O)[C@@H](C)Sc1nnnn1[*:1]
Cc1ccccc1CCNC(=O)[C@@H](C)Sc1nnnn1C(C)(C)C Cc1ccccc1C[*:1] C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)NC[*:1]
CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2C(=O)Nc1ccc(Br)cc1C Cc1cc(Br)ccc1[*:1] CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2C(=O)N[*:1]
Cc1cc(C)nc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1 CC(C)(C)[*:1] Cc1cc(C)nc(n1)N1CCC(CC1)NC(=O)O[*:1]
CC[C@@H](C)NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl CC[C@@H](C)[*:1] O=C(NCCOc1ncc(cc1Cl)C(F)(F)F)N[*:1]
CC[C@@H](C)NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] CC[C@@H](C)NC(=O)NCCOc1ncc(cc1Cl)[*:1]
C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 c1csc(c1)C[*:1] C[C@H]([NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[*:1]
C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 c1csc(c1)[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1
COc1cc(CN2C[C@H](c3ccsc3)O[C@H](C)C2)cc(OC)c1OC c1cc(cs1)[*:1] COc1cc(cc(OC)c1OC)CN1C[C@H](O[C@H](C)C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)C1 COC(=O)C(C)(C)[*:1] O=C([C@H]1C[C@@H]1c1ccccc1F)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)C(=O)[C@H]1C[C@@H]1c1ccccc1F)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)C1 Fc1ccccc1[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)[C@H]1C[C@H]1[*:1]
CCNC(=O)c1ccc(NCC(=O)Nc2c(C)cc(C)cc2C)nc1 CCNC(=O)[*:1] Cc1cc(C)c(NC(=O)CNc2ccc(cn2)[*:1])c(C)c1
O=C(Cn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Cn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)[*:1]
CC(C)[NH+](CCCNC(=O)[C@@H]1CCO[C@H]1C)C(C)C C[C@@H]1OCC[C@H]1[*:1] CC(C)[NH+](CCCNC(=O)[*:1])C(C)C
CC(C)[NH+](CCCNC(=O)[C@@H]1CCO[C@H]1C)C(C)C CC(C)[*:1] CC(C)[NH+](CCCNC(=O)[C@@H]1CCO[C@H]1C)[*:1]
Cc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](NS(=O)(=O)[*:1])C(C)C
Cc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[*:1]
Cc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
Cc1ccc(NC(=O)C[C@H](c2cccc(F)c2)n2cccc2)cc1F Fc1cccc(c1)[*:1] Cc1ccc(cc1F)NC(=O)C[C@H](n1cccc1)[*:1]
Cc1ccc(NC(=O)C[C@H](c2cccc(F)c2)n2cccc2)cc1F c1ccn(c1)[*:1] Cc1ccc(cc1F)NC(=O)C[C@H](c1cccc(F)c1)[*:1]
Cc1ccc(NC(=O)C[C@H](c2cccc(F)c2)n2cccc2)cc1F Cc1ccc(cc1F)[*:1] O=C(C[C@H](c1cccc(F)c1)n1cccc1)N[*:1]
Cc1c(C(=O)NOCC(N)=O)oc2c1C(=O)CCC2 NC(=O)C[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)NO[*:1]
Cc1c(C(=O)NOCC(N)=O)oc2c1C(=O)CCC2 NC(=O)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)NOC[*:1]
C[C@H]1C[C@@H](NC(=O)NC(C)(C)C)N(C)C(=O)N1 CC(C)(C)[*:1] C[C@H]1C[C@@H](NC(=O)N[*:1])N(C)C(=O)N1
Cc1cccc(SCC(=O)NCC(C)C)c1N CC(C)[*:1] Cc1cccc(SCC(=O)NC[*:1])c1N
Cc1cccc(SCC(=O)NCC(C)C)c1N CC(C)C[*:1] Cc1cccc(SCC(=O)N[*:1])c1N
C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 C1CCC(CC1)[*:1] C[C@@H](C(=O)NC(=O)N[*:1])[NH+]1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1
C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 c1ccc2O[C@@H](COc2c1)[*:1] C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCN(CC1)C(=O)[*:1]
O=C(NCCCO)N[C@H](Cc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(NCCCO)N[C@H](C[*:1])c1ccccc1
O=C(NCCCO)N[C@H](Cc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCO)N[C@H](Cc1ccc(F)cc1)[*:1]
O=C(NCCCO)N[C@H](Cc1ccc(F)cc1)c1ccccc1 OCC[*:1] O=C(NC[*:1])N[C@H](Cc1ccc(F)cc1)c1ccccc1
O=C(NCCCO)N[C@H](Cc1ccc(F)cc1)c1ccccc1 OCCC[*:1] O=C(N[C@H](Cc1ccc(F)cc1)c1ccccc1)N[*:1]
CC[C@H](CNC(=O)c1ccccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CNC(=O)c1ccccc1Cl)[*:1]
Cc1nn(C)c(Cl)c1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1nn(C)c(Cl)c1CS(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccccc1S[C@@H]1CC[C@](C#N)(NC(C)C)C1 CC(C)[*:1] Cc1ccccc1S[C@@H]1CC[C@@](C#N)(C1)N[*:1]
Cc1ccccc1S[C@@H]1CC[C@](C#N)(NC(C)C)C1 CC(C)N[*:1] Cc1ccccc1S[C@@H]1CC[C@](C#N)(C1)[*:1]
Cc1cccc(CN2CCN(CC(=O)NCCN3CCOCC3)C2=O)c1 Cc1cccc(c1)[*:1] O=C(CN1CCN(C[*:1])C1=O)NCCN1CCOCC1
Cc1cccc(CN2CCN(CC(=O)NCCN3CCOCC3)C2=O)c1 C1CN(CCO1)C[*:1] Cc1cccc(c1)CN1CCN(CC(=O)NC[*:1])C1=O
Cc1cccc(CN2CCN(CC(=O)NCCN3CCOCC3)C2=O)c1 C1CN(CCO1)CC[*:1] Cc1cccc(c1)CN1CCN(CC(=O)N[*:1])C1=O
Cc1cccc(CN2CCN(CC(=O)NCCN3CCOCC3)C2=O)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)CN1CCN(CC(=O)NCC[*:1])C1=O
Cc1cccc(CN2CCN(CC(=O)NCCN3CCOCC3)C2=O)c1 Cc1cccc(c1)C[*:1] O=C(CN1CCN(C1=O)[*:1])NCCN1CCOCC1
Cn1cc(C[C@@H]2CCN(C(=O)C3(c4cccc(F)c4)CCC3)C2)cn1 Fc1cccc(c1)[*:1] Cn1cc(cn1)C[C@@H]1CCN(C1)C(=O)C1(CCC1)[*:1]
Cn1cc(C[C@@H]2CCN(C(=O)C3(c4cccc(F)c4)CCC3)C2)cn1 Cn1cc(cn1)C[*:1] O=C(N1CC[C@H](C1)[*:1])C1(CCC1)c1cccc(F)c1
Cn1cc(C[C@@H]2CCN(C(=O)C3(c4cccc(F)c4)CCC3)C2)cn1 Cn1cc(cn1)[*:1] O=C(N1CC[C@H](C1)C[*:1])C1(CCC1)c1cccc(F)c1
CC(C)Cn1ccnc(Oc2ccccc2[N+](=O)[O-])c1=O CC(C)[*:1] O=c1c(nccn1C[*:1])Oc1ccccc1[N+](=O)[O-]
CC(C)Cn1ccnc(Oc2ccccc2[N+](=O)[O-])c1=O O=[N+]([O-])[*:1] CC(C)Cn1ccnc(Oc2ccccc2[*:1])c1=O
CC(C)Cn1ccnc(Oc2ccccc2[N+](=O)[O-])c1=O CC(C)C[*:1] O=c1c(nccn1[*:1])Oc1ccccc1[N+](=O)[O-]
COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cc(C)on4)C[C@]34C=C[C@H]2O4)cc1 COc1ccc(cc1)[*:1] Cc1cc(no1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N[*:1])[C@@H]3C1=O
COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cc(C)on4)C[C@]34C=C[C@H]2O4)cc1 Cc1cc(no1)[*:1] COc1ccc(cc1)NC(=O)[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
CCN1CCc2nc3ccccc3c(C(=O)N[C@H]3CCc4ccccc43)c2C1 c1ccc2c(c1)CC[C@@H]2[*:1] CCN1CCc2nc3ccccc3c(C(=O)N[*:1])c2C1
Cc1cc(O)ccc1N1C(=O)c2cccc3cc(Br)cc(c23)C1=O Cc1cc(O)ccc1[*:1] O=C1c2cccc3cc(Br)cc(C(=O)N1[*:1])c23
COC(=O)CNC(=O)[C@@H](C)Sc1[nH+]c(C)c(C)n1C1CCCCC1 COC(=O)[*:1] Cc1[nH+]c(S[C@H](C)C(=O)NC[*:1])n(c1C)C1CCCCC1
COC(=O)CNC(=O)[C@@H](C)Sc1[nH+]c(C)c(C)n1C1CCCCC1 COC(=O)CNC(=O)[*:1] Cc1[nH+]c(S[C@H](C)[*:1])n(c1C)C1CCCCC1
COC(=O)CNC(=O)[C@@H](C)Sc1[nH+]c(C)c(C)n1C1CCCCC1 COC(=O)C[*:1] Cc1[nH+]c(S[C@H](C)C(=O)N[*:1])n(c1C)C1CCCCC1
COC(=O)CNC(=O)[C@@H](C)Sc1[nH+]c(C)c(C)n1C1CCCCC1 C1CCC(CC1)[*:1] COC(=O)CNC(=O)[C@@H](C)Sc1[nH+]c(C)c(C)n1[*:1]
CCC[NH+](CC(=O)NC)Cc1c[nH]nc1-c1cccnc1 CNC(=O)C[*:1] CCC[NH+](Cc1c[nH]nc1-c1cccnc1)[*:1]
CCC[NH+](CC(=O)NC)Cc1c[nH]nc1-c1cccnc1 CNC(=O)[*:1] CCC[NH+](Cc1c[nH]nc1-c1cccnc1)C[*:1]
CCC[NH+](CC(=O)NC)Cc1c[nH]nc1-c1cccnc1 CCC[*:1] CNC(=O)C[NH+](Cc1c[nH]nc1-c1cccnc1)[*:1]
CCC[NH+](CC(=O)NC)Cc1c[nH]nc1-c1cccnc1 c1cncc(c1)[*:1] CCC[NH+](CC(=O)NC)Cc1c[nH]nc1[*:1]
O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])C[NH2+]C[C@]1(CCSC1)N1CCOCC1
O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 C1CN(CCO1)[*:1] O=[N+]([O-])c1cccc(c1)C[NH2+]C[C@]1(CCSC1)[*:1]
O=C(Nc1cccc(-n2cnnc2)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1cccc(c1)-n1cnnc1)[*:1]
O=C(Nc1cccc(-n2cnnc2)c1)c1cccc(F)c1 c1nncn1[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(F)c1
Cc1ccc(N)c(Oc2cccc(N(C)C)c2)c1 CN(C)[*:1] Cc1ccc(N)c(c1)Oc1cccc(c1)[*:1]
CCC(=O)N1CCc2cc(-c3ccc(C(=O)NC4CC4)cc3)ccc21 C1CC1[*:1] CCC(=O)N1CCc2cc(ccc21)-c1ccc(cc1)C(=O)N[*:1]
CCC(=O)N1CCc2cc(-c3ccc(C(=O)NC4CC4)cc3)ccc21 O=C(NC1CC1)[*:1] CCC(=O)N1CCc2cc(ccc21)-c1ccc(cc1)[*:1]
CCC(CC)n1ncc(C[NH2+]C(C)C)c1C(F)(F)F CCC(CC)[*:1] CC(C)[NH2+]Cc1cnn(c1C(F)(F)F)[*:1]
CCC(CC)n1ncc(C[NH2+]C(C)C)c1C(F)(F)F CC(C)[*:1] CCC(CC)n1ncc(C[NH2+][*:1])c1C(F)(F)F
CCC(CC)n1ncc(C[NH2+]C(C)C)c1C(F)(F)F FC(F)(F)[*:1] CCC(CC)n1ncc(C[NH2+]C(C)C)c1[*:1]
CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 CCO[*:1] N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1C[C@H]1[*:1]
CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 c1ccc(cc1)[*:1] CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1[C@@H](C#N)[*:1]
Cc1ccsc1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)nnn2C Cc1ccsc1[*:1] Cn1nnc2cc(ccc21)C(=O)N(CC[NH+](C)C)C[*:1]
Cc1ccsc1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)nnn2C Cc1ccsc1C[*:1] Cn1nnc2cc(ccc21)C(=O)N(CC[NH+](C)C)[*:1]
CCOC(=O)C(C)(C)NC(=O)c1ccc(OC(C)(C)C)cc1 CC(C)(C)O[*:1] CCOC(=O)C(C)(C)NC(=O)c1ccc(cc1)[*:1]
CCOC(=O)C(C)(C)NC(=O)c1ccc(OC(C)(C)C)cc1 CCOC(=O)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)NC(C)(C)[*:1]
CCOC(=O)C(C)(C)NC(=O)c1ccc(OC(C)(C)C)cc1 CC(C)(C)[*:1] CCOC(=O)C(C)(C)NC(=O)c1ccc(cc1)O[*:1]
C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1CCC[C@H]1O c1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)NC[C@H]1CCC[C@H]1O
Cc1cccc(CN(C)S(=O)(=O)N2CCCC[C@@H]2C[NH3+])n1 Cc1cccc(n1)[*:1] CN(C[*:1])S(=O)(=O)N1CCCC[C@@H]1C[NH3+]
Cn1cc[nH+]c1N[C@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] Cn1cc[nH+]c1N[C@H]1C=C[C@H](C1)[*:1]
COc1ccccc1[C@H]1CC(=O)N=C(SCC(=O)Nc2nccs2)[C@H]1C#N O=C(C[*:1])Nc1nccs1 COc1ccccc1[C@H]1CC(=O)N=C(S[*:1])[C@H]1C#N
COc1ccccc1[C@H]1CC(=O)N=C(SCC(=O)Nc2nccs2)[C@H]1C#N c1csc(n1)[*:1] COc1ccccc1[C@H]1CC(=O)N=C(SCC(=O)N[*:1])[C@H]1C#N
COc1ccccc1[C@H]1CC(=O)N=C(SCC(=O)Nc2nccs2)[C@H]1C#N O=C(Nc1nccs1)[*:1] COc1ccccc1[C@H]1CC(=O)N=C(SC[*:1])[C@H]1C#N
COc1ccccc1[C@H]1CC(=O)N=C(SCC(=O)Nc2nccs2)[C@H]1C#N COc1ccccc1[*:1] N#C[C@@H]1C(=NC(=O)C[C@@H]1[*:1])SCC(=O)Nc1nccs1
CC[C@@H](C[NH2+][C@H](C)Cn1cnc(C)c1C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C[NH2+][C@H](C)Cn1cnc(C)c1C)[*:1]
CC[C@@H](C[NH2+][C@H](C)Cn1cnc(C)c1C)c1ccccc1 Cc1ncn(c1C)[*:1] CC[C@@H](C[NH2+][C@H](C)C[*:1])c1ccccc1
CC1=C[C@H](C(=O)N2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)N=N1 FC(F)(F)[*:1] CC1=C[C@@H](N=N1)C(=O)N1CCC[C@@H](C1)C(=O)c1cccc(c1)[*:1]
CCOc1cccnc1-c1nc(N(C)C)no1 CCO[*:1] CN(C)c1noc(n1)-c1ncccc1[*:1]
CCOc1cccnc1-c1nc(N(C)C)no1 CN(C)[*:1] CCOc1cccnc1-c1nc(no1)[*:1]
CN1C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2C1=O c1ccc(cc1)C[*:1] CN1C(=O)c2ccc(cc2C1=O)S(=O)(=O)N[*:1]
CN1C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2C1=O c1ccc(cc1)[*:1] CN1C(=O)c2ccc(cc2C1=O)S(=O)(=O)NC[*:1]
Cc1cccc2cc(CO)c(N3CCN(C4Cc5ccccc5C4)CC3)[nH+]c12 c1ccc2CC(Cc2c1)[*:1] Cc1cccc2cc(CO)c([nH+]c12)N1CCN(CC1)[*:1]
COc1ccccc1OC(=O)/C=C/c1ccc(NC(C)=O)cc1 CC(=O)N[*:1] COc1ccccc1OC(=O)/C=C/c1ccc(cc1)[*:1]
COc1ccccc1[C@H](C(N)=O)[NH+](C)C NC(=O)[*:1] COc1ccccc1[C@H]([NH+](C)C)[*:1]
CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CONC1=O CS(=O)(=O)[*:1] [NH3+][C@@H](CC[*:1])C(=O)N[C@@H]1CONC1=O
CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CONC1=O CS(=O)(=O)C[*:1] [NH3+][C@@H](C[*:1])C(=O)N[C@@H]1CONC1=O
O=C(NCCCO)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] O=C(NCCCO)N[C@@H](C[*:1])c1ccccc1
O=C(NCCCO)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 OCC[*:1] O=C(NC[*:1])N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1
O=C(NCCCO)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCO)N[C@@H](Cc1ccc(Cl)cc1)[*:1]
O=C(NCCCO)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 OCCC[*:1] O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)N[*:1]
C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)C1 O=S(=O)(N1CCCC1)[*:1] C[C@H]1CCCN(C1)C(=O)CSc1nnc(-c2ccc(cc2)[*:1])n1C
CC(C)C[NH2+]C/C(=C\[C@H]1CCOC1)C(C)C CC(C)C[*:1] CC(C)/C(=C/[C@H]1CCOC1)C[NH2+][*:1]
CC(C)C[NH2+]C/C(=C\[C@H]1CCOC1)C(C)C CC(C)[*:1] CC(C)/C(=C/[C@H]1CCOC1)C[NH2+]C[*:1]
CC(C)C[NH2+]C/C(=C\[C@H]1CCOC1)C(C)C C1C[C@@H](CO1)[*:1] CC(C)C[NH2+]CC(=C[*:1])C(C)C
CC(C)C[NH2+]C/C(=C\[C@H]1CCOC1)C(C)C CC(C)[*:1] CC(C)C[NH2+]C/C(=C\[C@H]1CCOC1)[*:1]
O=C(CN(C[C@@H]1CCCO1)C(=O)c1cc2c(s1)CCCC2)N1CCCC1 C1CO[C@@H](C1)C[*:1] O=C(CN(C(=O)c1cc2CCCCc2s1)[*:1])N1CCCC1
O=C(CN(C[C@@H]1CCCO1)C(=O)c1cc2c(s1)CCCC2)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(c1cc2CCCCc2s1)N(C[C@@H]1CCCO1)[*:1]
O=C(CN(C[C@@H]1CCCO1)C(=O)c1cc2c(s1)CCCC2)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(c1cc2CCCCc2s1)N(C[C@@H]1CCCO1)C[*:1]
Cc1cc(C[NH+]2CCC(c3cnn(C)c3)CC2)ccc1Oc1cccnc1 Cn1cc(cn1)[*:1] Cc1cc(ccc1Oc1cccnc1)C[NH+]1CCC(CC1)[*:1]
Cc1cc(C[NH+]2CCC(c3cnn(C)c3)CC2)ccc1Oc1cccnc1 c1cncc(c1)O[*:1] Cc1cc(ccc1[*:1])C[NH+]1CCC(CC1)c1cnn(C)c1
Cc1cc(C[NH+]2CCC(c3cnn(C)c3)CC2)ccc1Oc1cccnc1 c1cncc(c1)[*:1] Cc1cc(ccc1O[*:1])C[NH+]1CCC(CC1)c1cnn(C)c1
COc1cc(-c2nc3s/c(=C\c4ccc(F)cc4)c(=O)n3n2)cc(OC)c1OC Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-c1nc2sc(=C[*:1])c(=O)n2n1
CCCCc1[nH]cc(CN2CCN(c3ccc(Cl)cn3)CC2)[nH+]1 Clc1ccc(nc1)[*:1] CCCCc1[nH]cc(CN2CCN(CC2)[*:1])[nH+]1
CCCCc1[nH]cc(CN2CCN(c3ccc(Cl)cn3)CC2)[nH+]1 CCC[*:1] Clc1ccc(nc1)N1CCN(CC1)Cc1c[nH]c(C[*:1])[nH+]1
CCCCc1[nH]cc(CN2CCN(c3ccc(Cl)cn3)CC2)[nH+]1 CCCC[*:1] Clc1ccc(nc1)N1CCN(CC1)Cc1c[nH]c([nH+]1)[*:1]
C/[NH+]=C(/NCc1nc(C(F)(F)F)cs1)N[C@@H]1C[C@@](C)(OC)C1(C)C FC(F)(F)[*:1] C/[NH+]=C(/NCc1nc(cs1)[*:1])N[C@@H]1C[C@@](C)(OC)C1(C)C
Cc1cc2c(cc1-c1cc(-c3cn(C)nc3C)nc(N)c1C#N)OCO2 Cc1nn(C)cc1[*:1] Cc1cc2OCOc2cc1-c1cc(nc(N)c1C#N)[*:1]
CC[C@@H]1COCCN1c1nc(C(F)(F)F)ccc1C(=O)[O-] O=C([O-])[*:1] CC[C@@H]1COCCN1c1nc(ccc1[*:1])C(F)(F)F
CC[C@@H]1COCCN1c1nc(C(F)(F)F)ccc1C(=O)[O-] FC(F)(F)[*:1] CC[C@@H]1COCCN1c1nc(ccc1C(=O)[O-])[*:1]
Cc1cncc(NC(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 Clc1cccc(c1)[*:1] Cc1cncc(c1)NC(=O)NCc1nc(no1)[*:1]
Cc1cncc(NC(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 Cc1cncc(c1)[*:1] O=C(NCc1nc(no1)-c1cccc(Cl)c1)N[*:1]
C[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] C[C@@H]1C[C@H]([NH3+])CN(C1)S(=O)(=O)c1ccc(F)c(c1)[*:1]
CC(C)[C@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)n1cnc2ccccc21 CC(C)[*:1] C[C@@H](NC(=O)[C@H](n1cnc2ccccc21)[*:1])c1ccc(Cl)cc1
CC(C)[C@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)n1cnc2ccccc21 Clc1ccc(cc1)[*:1] CC(C)[C@H](C(=O)N[C@H](C)[*:1])n1cnc2ccccc21
C=CCNC(=O)[C@H](C)SCc1ccc(-n2cccn2)cc1 C=CC[*:1] C[C@H](SCc1ccc(cc1)-n1cccn1)C(=O)N[*:1]
C=CCNC(=O)[C@H](C)SCc1ccc(-n2cccn2)cc1 C=CCNC(=O)[*:1] C[C@H](SCc1ccc(cc1)-n1cccn1)[*:1]
C=CCNC(=O)[C@H](C)SCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C=CCNC(=O)[C@H](C)SCc1ccc(cc1)[*:1]
O=C(N[C@H](Cn1cncn1)c1ccccc1)N[C@H]1c2ccccc2C[C@H]1O c1ccc(cc1)[*:1] O=C(N[C@H]1c2ccccc2C[C@H]1O)N[C@H](Cn1cncn1)[*:1]
O=C(N[C@H](Cn1cncn1)c1ccccc1)N[C@H]1c2ccccc2C[C@H]1O c1ncn(n1)[*:1] O=C(N[C@H](C[*:1])c1ccccc1)N[C@H]1c2ccccc2C[C@H]1O
O=C(N[C@H](Cn1cncn1)c1ccccc1)N[C@H]1c2ccccc2C[C@H]1O c1ncn(C[*:1])n1 O=C(N[C@H]1c2ccccc2C[C@H]1O)N[C@H](c1ccccc1)[*:1]
Cn1cc(C(=O)Nc2ccc(I)cn2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2ccc(I)cn2)c(n1)[*:1]
CCC(CC)N(CCOC)C(=O)Nc1ccc(F)c(F)c1F COCC[*:1] CCC(CC)N(C(=O)Nc1ccc(F)c(F)c1F)[*:1]
CCC(CC)N(CCOC)C(=O)Nc1ccc(F)c(F)c1F COC[*:1] CCC(CC)N(C[*:1])C(=O)Nc1ccc(F)c(F)c1F
CCC(CC)N(CCOC)C(=O)Nc1ccc(F)c(F)c1F CCC(CC)[*:1] COCCN(C(=O)Nc1ccc(F)c(F)c1F)[*:1]
Cc1ccc(N2C(=O)[C@H](C)N=C2N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)O[*:1] Cc1ccc(cc1)N1C(=O)[C@H](C)N=C1N1CCN(CC1)CC[*:1]
Cc1ccc(N2C(=O)[C@H](C)N=C2N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)OCC[*:1] Cc1ccc(cc1)N1C(=O)[C@H](C)N=C1N1CCN(CC1)[*:1]
Cc1ccc(N2C(=O)[C@H](C)N=C2N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)OC[*:1] Cc1ccc(cc1)N1C(=O)[C@H](C)N=C1N1CCN(CC1)C[*:1]
Cc1ccc(N2C(=O)[C@H](C)N=C2N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)[C@H](C)N=C1N1CCN(CCO[*:1])CC1
Cc1ccc(N2C(=O)[C@H](C)N=C2N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1N=C(N2CCN(CCOc3ccc(Cl)cc3)CC2)N(C1=O)[*:1]
COc1cccc([C@@H]2C[C@H](c3ccc(Cl)cc3Cl)n3nc(N)nc3N2)c1 COc1cccc(c1)[*:1] Nc1nc2N[C@@H](C[C@H](c3ccc(Cl)cc3Cl)n2n1)[*:1]
COc1cccc([C@@H]2C[C@H](c3ccc(Cl)cc3Cl)n3nc(N)nc3N2)c1 Clc1ccc(c(Cl)c1)[*:1] COc1cccc(c1)[C@@H]1C[C@H](n2nc(N)nc2N1)[*:1]
Cc1cscc1CNc1ccc(C(N)=S)cc1F NC(=S)[*:1] Cc1cscc1CNc1ccc(cc1F)[*:1]
Cc1cscc1CNc1ccc(C(N)=S)cc1F Cc1cscc1[*:1] NC(=S)c1ccc(NC[*:1])c(F)c1
[NH3+]CC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] O=C([O-])[*:1] [NH3+]CC(=O)N1C[C@H](O)C[C@@H]1[*:1]
COc1ccc2c(c1)[C@H](N[C@H](c1ccc(F)cc1)C(F)(F)F)CCO2 FC(F)(F)[*:1] COc1ccc2OCC[C@@H](N[C@H](c3ccc(F)cc3)[*:1])c2c1
COc1ccc2c(c1)[C@H](N[C@H](c1ccc(F)cc1)C(F)(F)F)CCO2 Fc1ccc(cc1)[*:1] COc1ccc2OCC[C@@H](N[C@H](C(F)(F)F)[*:1])c2c1
CN(C)c1ccc(C(=O)NCCNS(C)(=O)=O)cc1[N+](=O)[O-] CS(=O)(=O)NCC[*:1] CN(C)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
CN(C)c1ccc(C(=O)NCCNS(C)(=O)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C)c1ccc(cc1[*:1])C(=O)NCCNS(C)(=O)=O
CN(C)c1ccc(C(=O)NCCNS(C)(=O)=O)cc1[N+](=O)[O-] CS(=O)(=O)NC[*:1] CN(C)c1ccc(cc1[N+](=O)[O-])C(=O)NC[*:1]
CN(C)c1ccc(C(=O)NCCNS(C)(=O)=O)cc1[N+](=O)[O-] CN(C)[*:1] CS(=O)(=O)NCCNC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN(C)c1ccc(C(=O)NCCNS(C)(=O)=O)cc1[N+](=O)[O-] CS(=O)(=O)N[*:1] CN(C)c1ccc(cc1[N+](=O)[O-])C(=O)NCC[*:1]
Cn1ncc2c1CCc1sc(NC(=O)COc3cccc(F)c3)nc1-2 Fc1cccc(c1)[*:1] Cn1ncc2-c3nc(NC(=O)CO[*:1])sc3CCc21
Cn1ncc2c1CCc1sc(NC(=O)COc3cccc(F)c3)nc1-2 Fc1cccc(c1)O[*:1] Cn1ncc2-c3nc(NC(=O)C[*:1])sc3CCc21
CCO[C@@H](C)c1nc(CNc2cccc(-n3nnnc3C)c2)cs1 Cc1nnnn1[*:1] CCO[C@@H](C)c1nc(cs1)CNc1cccc(c1)[*:1]
CCO[C@@H](C)c1nc(CNc2cccc(-n3nnnc3C)c2)cs1 CCO[*:1] Cc1nnnn1-c1cccc(c1)NCc1csc(n1)[C@H](C)[*:1]
O=C1/C(=C/NCCC2=c3ccccc3=[NH+]C2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 Fc1cccc(c1)[*:1] O=C1/C(=C/NCCC2C[NH+]=c3ccccc3=2)S(=O)(=O)N(C[*:1])c2ccsc21
O=C1/C(=C/NCCC2=c3ccccc3=[NH+]C2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 Fc1cccc(c1)C[*:1] O=C1/C(=C/NCCC2C[NH+]=c3ccccc3=2)S(=O)(=O)N(c2ccsc21)[*:1]
O=C1CCc2cc(C(=O)N[C@H](CO)c3ccco3)ccc2N1 c1coc(c1)[*:1] O=C1CCc2cc(ccc2N1)C(=O)N[C@H](CO)[*:1]
CC(C)n1cnnc1CN1CC[C@@]2(CCCN(CCO)C2=O)C1 CC(C)[*:1] O=C1N(CCO)CCC[C@@]12CCN(Cc1nncn1[*:1])C2
CC(C)n1cnnc1CN1CC[C@@]2(CCCN(CCO)C2=O)C1 OCC[*:1] CC(C)n1cnnc1CN1CC[C@@]2(CCCN(C2=O)[*:1])C1
Cc1ccc(/C=C/C(=O)NC2CCN(C(=O)CC(C)C)CC2)o1 Cc1ccc(o1)[*:1] CC(C)CC(=O)N1CCC(CC1)NC(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)NC2CCN(C(=O)CC(C)C)CC2)o1 CC(C)C[*:1] Cc1ccc(/C=C/C(=O)NC2CCN(CC2)C(=O)[*:1])o1
Cc1ccc(/C=C/C(=O)NC2CCN(C(=O)CC(C)C)CC2)o1 CC(C)[*:1] Cc1ccc(/C=C/C(=O)NC2CCN(CC2)C(=O)C[*:1])o1
CC(=O)Nc1ccc(OC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 Cc1nn(c(C)c1Cl)[*:1] CC(=O)Nc1ccc(cc1)OC(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(OC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 CC(=O)N[*:1] Cc1nn(-c2ccc(cc2)C(=O)Oc2ccc(cc2)[*:1])c(C)c1Cl
O=S(=O)([O-])c1ccc(Cl)c2cccnc12 O=S(=O)([O-])[*:1] Clc1ccc(c2ncccc12)[*:1]
C=CCCC[C@@H](C)OC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C C=CCCC[*:1] Cc1c(cnc2c1c(=O)n(C)c(=O)n2C)C(=O)O[C@H](C)[*:1]
C=CCCC[C@@H](C)OC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C C=CCC[*:1] Cc1c(cnc2c1c(=O)n(C)c(=O)n2C)C(=O)O[C@H](C)C[*:1]
C=CCCC[C@@H](C)OC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C C=CC[*:1] Cc1c(cnc2c1c(=O)n(C)c(=O)n2C)C(=O)O[C@H](C)CC[*:1]
C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CO[C@@H](CN1C(=O)[C@H](O)[*:1])c1ccccc1Cl
C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)[C@H](O)c1ccccc1 Clc1ccccc1[*:1] C[C@H]1CO[C@H](CN1C(=O)[C@H](O)c1ccccc1)[*:1]
C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] C[C@H]1CO[C@@H](CN1C(=O)[*:1])c1ccccc1Cl
C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H](C)[*:1]
C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H](C)Cc1cccs1 C1CO[C@@H](C1)[*:1] C[C@H](OC[*:1])C(=O)N(C)[C@H](C)Cc1cccs1
C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H](C)Cc1cccs1 C1CO[C@@H](C1)CO[*:1] C[C@H](C(=O)N(C)[C@H](C)Cc1cccs1)[*:1]
C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H](C)Cc1cccs1 C1CO[C@@H](C1)C[*:1] C[C@H](O[*:1])C(=O)N(C)[C@H](C)Cc1cccs1
C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H](C)C[*:1]
CCCc1nn([C@@H]2CCCC[C@H]2O)c(=O)o1 CCC[*:1] O=c1oc(nn1[C@@H]1CCCC[C@H]1O)[*:1]
Cc1ccc(C)c(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)c1 Cc1ccc(C)c(c1)[*:1] O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)N[*:1]
CCCOc1ccc(CNC(=O)Nc2cc(OC)ccc2F)cc1 CCCO[*:1] COc1ccc(F)c(c1)NC(=O)NCc1ccc(cc1)[*:1]
CCCOc1ccc(CNC(=O)Nc2cc(OC)ccc2F)cc1 CCC[*:1] COc1ccc(F)c(c1)NC(=O)NCc1ccc(cc1)O[*:1]
COCC(=O)NNC(=O)CNc1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)NCC(=O)NNC(=O)[*:1]
C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCO[C@H](C(N)=O)C1 NC(=O)[*:1] C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCO[C@H](C1)[*:1]
CCOc1ccccc1/C=c1/sc2nc(/C=C/c3ccc(C)cc3)nn2c1=O CCOc1ccccc1[*:1] Cc1ccc(/C=C/c2nc3sc(=C[*:1])c(=O)n3n2)cc1
CCOc1ccccc1/C=c1/sc2nc(/C=C/c3ccc(C)cc3)nn2c1=O Cc1ccc(cc1)[*:1] CCOc1ccccc1/C=c1/sc2nc(C=C[*:1])nn2c1=O
CCOc1ccccc1/C=c1/sc2nc(/C=C/c3ccc(C)cc3)nn2c1=O CCO[*:1] Cc1ccc(/C=C/c2nc3s/c(=C/c4ccccc4[*:1])c(=O)n3n2)cc1
CCOc1ccccc1/C=c1/sc2nc(/C=C/c3ccc(C)cc3)nn2c1=O Cc1ccc(C=C[*:1])cc1 CCOc1ccccc1/C=c1/sc2nc(nn2c1=O)[*:1]
CC(C)CS(=O)(=O)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 CC(C)CS(=O)(=O)[*:1] C[C@H](CNC(=O)[C@H](C)[*:1])c1ccccc1
CC(C)CS(=O)(=O)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 CC(C)[*:1] C[C@H](CNC(=O)[C@H](C)S(=O)(=O)C[*:1])c1ccccc1
CC(C)CS(=O)(=O)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 CC(C)C[*:1] C[C@H](CNC(=O)[C@H](C)S(=O)(=O)[*:1])c1ccccc1
CC(C)CS(=O)(=O)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CS(=O)(=O)[C@@H](C)C(=O)NC[C@@H](C)[*:1]
COc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@H]1C(=O)NCC[*:1]
COc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@H]1C(=O)N[*:1]
COc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@H]1C(=O)NC[*:1]
COc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCCc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(NCCc1ccccc1)[C@@H]1CCCN1C(=O)N[*:1]
Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(-c3cccc(C#N)c3)cc2n(C)c1=O N#Cc1cccc(c1)[*:1] Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(cc2n(C)c1=O)[*:1]
Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(-c3cccc(C#N)c3)cc2n(C)c1=O Clc1ccc(cc1)[*:1] Cn1c(=O)c2c(n(cc2n(C)c1=O)-c1cccc(C#N)c1)[*:1]
Cc1cc(C(=O)NCc2ccoc2)c(C)n1C1CC1 c1cc(co1)[*:1] Cc1cc(C(=O)NC[*:1])c(C)n1C1CC1
Cc1cc(C(=O)NCc2ccoc2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)NCc2ccoc2)c(C)n1[*:1]
Cc1cc(C(=O)NCc2ccoc2)c(C)n1C1CC1 c1cc(co1)C[*:1] Cc1cc(C(=O)N[*:1])c(C)n1C1CC1
Cc1noc(-c2ccnc(NCC[S@](=O)C(C)(C)C)c2)n1 CC(C)(C)[*:1] Cc1noc(n1)-c1ccnc(c1)NCC[S@](=O)[*:1]
Cc1noc(-c2ccnc(NCC[S@](=O)C(C)(C)C)c2)n1 Cc1noc(n1)[*:1] CC(C)(C)[S@@](=O)CCNc1cc(ccn1)[*:1]
CC(=O)Oc1cc(NC(=O)C[C@H]2SC(=N)NC2=O)cc(OC(C)=O)c1 CC(=O)O[*:1] CC(=O)Oc1cc(cc(c1)[*:1])NC(=O)C[C@H]1SC(=N)NC1=O
COc1cc(Br)c(CCNC(=O)C2CCCC2)cc1OC C1CCC(C1)[*:1] COc1cc(Br)c(cc1OC)CCNC(=O)[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1 CC(C)NS(=O)(=O)[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)c1ccc(cc1)[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1 CC(C)[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
N#Cc1ccc(F)cc1C(=O)[O-] O=C([O-])[*:1] N#Cc1ccc(F)cc1[*:1]
CN(Cc1ccncc1)C(=O)NCC1(C)Cc2ccccc2C1 c1cc(ccn1)[*:1] CN(C[*:1])C(=O)NCC1(C)Cc2ccccc2C1
CN(Cc1ccncc1)C(=O)NCC1(C)Cc2ccccc2C1 c1cc(ccn1)C[*:1] CN(C(=O)NCC1(C)Cc2ccccc2C1)[*:1]
CCCNc1cc[nH+]c(COc2ccc(F)c(F)c2)c1 CCC[*:1] Fc1ccc(cc1F)OCc1cc(cc[nH+]1)N[*:1]
CCCNc1cc[nH+]c(COc2ccc(F)c(F)c2)c1 CCCN[*:1] Fc1ccc(cc1F)OCc1cc(cc[nH+]1)[*:1]
CC(C)(O)CC[NH2+]CC(=O)[O-] O=C([O-])[*:1] CC(C)(O)CC[NH2+]C[*:1]
COc1ncccc1CNS(=O)(=O)Cc1ccon1 c1cc(C[*:1])no1 COc1ncccc1CNS(=O)(=O)[*:1]
COc1ncccc1CNS(=O)(=O)Cc1ccon1 c1cc(no1)[*:1] COc1ncccc1CNS(=O)(=O)C[*:1]
Cc1cc(C)n([C@H](C)C(=O)N(C)c2cccc3ncccc23)n1 Cc1cc(C)n(n1)[*:1] C[C@H](C(=O)N(C)c1cccc2ncccc12)[*:1]
COc1ccc([C@@H](C)N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](C)N(C)C(=O)c1nc(C)n(n1)[*:1]
COc1ccc([C@@H](C)N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 COc1ccc(cc1)[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)N(C)[C@H](C)[*:1]
COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cccc(F)c2)C4)c1 Fc1cccc(c1)CN[*:1] COc1cccc(c1)CCn1cnc2sc3C[C@H](CCc3c2c1=O)[*:1]
COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cccc(F)c2)C4)c1 COc1cccc(c1)C[*:1] O=c1c2c3CC[C@H](Cc3sc2ncn1C[*:1])NCc1cccc(F)c1
COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cccc(F)c2)C4)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)CCn1cnc2sc3C[C@@H](CCc3c2c1=O)NC[*:1]
COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cccc(F)c2)C4)c1 COc1cccc(c1)CC[*:1] O=c1c2c3CC[C@H](Cc3sc2ncn1[*:1])NCc1cccc(F)c1
COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cccc(F)c2)C4)c1 COc1cccc(c1)[*:1] O=c1c2c3CC[C@H](Cc3sc2ncn1CC[*:1])NCc1cccc(F)c1
COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cccc(F)c2)C4)c1 Fc1cccc(c1)C[*:1] COc1cccc(c1)CCn1cnc2sc3C[C@@H](CCc3c2c1=O)N[*:1]
CN(C)C(=S)SCC(N)=O NC(=O)[*:1] CN(C)C(=S)SC[*:1]
O=C1CN(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c2ccccc2N1 c1ccc(cc1)[*:1] O=C1CN(C(=O)Cn2cnc3sc(cc3c2=O)[*:1])c2ccccc2N1
CC(C)CCNC(=O)CN(C)S(=O)(=O)c1ccccc1 CC(C)CC[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccccc1
CC(C)CCNC(=O)CN(C)S(=O)(=O)c1ccccc1 CC(C)[*:1] CN(CC(=O)NCC[*:1])S(=O)(=O)c1ccccc1
CC(C)CCNC(=O)CN(C)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CCNC(=O)CN(C)S(=O)(=O)[*:1]
CC(C)CCNC(=O)CN(C)S(=O)(=O)c1ccccc1 CC(C)C[*:1] CN(CC(=O)NC[*:1])S(=O)(=O)c1ccccc1
CCCNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CCCNC(=O)Nc1cccc(C)c1[*:1]
CCCNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1 CCCNC(=O)N[*:1] Cc1cccc(c1C(=O)N1CCCC1)[*:1]
CCCNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1 CCC[*:1] Cc1cccc(NC(=O)N[*:1])c1C(=O)N1CCCC1
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C)n1C Cc1ccccc1[*:1] COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N[*:1])n1C
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C)n1C COc1ccccc1[*:1] Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(n1C)[*:1]
CCS(=O)(=O)[N-]c1ccc2sc(C(=O)NC)c(OC)c2c1 CNC(=O)[*:1] CCS(=O)(=O)[N-]c1ccc2sc(c(OC)c2c1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)n1cnc(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)c(C)c1 CC(C)n1cnc(c1)[*:1] Cc1ccc(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)[*:1])c(C)c1
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)c(C)c1 CC(C)[*:1] Cc1ccc(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)c2cn(cn2)[*:1])c(C)c1
Cc1ccc(C[NH+](C)Cc2cnc3cnccn23)s1 Cc1ccc(s1)[*:1] C[NH+](Cc1cnc2cnccn12)C[*:1]
Cc1ccccc1NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21 Cc1ccccc1[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N[*:1]
Cc1ccccc1NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21 Cc1ccccc1NC(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[*:1]
CCCCOc1ccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)cc1 CCCCO[*:1] O=C1CCCc2c1cc(C(=O)Nc1ccc(cc1)[*:1])c(=O)n2-c1ccccc1
CCCCOc1ccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)cc1 CCC[*:1] O=C1CCCc2c1cc(C(=O)Nc1ccc(cc1)OC[*:1])c(=O)n2-c1ccccc1
CCCCOc1ccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)cc1 c1ccc(cc1)[*:1] CCCCOc1ccc(cc1)NC(=O)c1cc2C(=O)CCCc2n(c1=O)[*:1]
CCCCOc1ccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)cc1 CCCC[*:1] O=C1CCCc2c1cc(C(=O)Nc1ccc(cc1)O[*:1])c(=O)n2-c1ccccc1
NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 c1ccc(cc1)C[*:1] NC(=O)c1cccc(c1)CN(C(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 c1ccc(cc1)[*:1] NC(=O)c1cccc(c1)CN(C[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 NC(=O)c1cccc(c1)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)C[*:1]
NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 Clc1ccc(cc1Cl)[*:1] NC(=O)c1cccc(c1)CN(Cc1ccccc1)C(=O)N[*:1]
NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 NC(=O)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1cccc(c1)[*:1]
CCn1nc(C)c(NC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1C C1CC1[*:1] CCn1nc(C)c(NC(=O)N([C@@H]2CCCc3ccccc32)[*:1])c1C
C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(c1)O[*:1]
C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(c1)[*:1]
C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(c1)OC[*:1]
Cc1cc(NC(=O)c2ccc3ncsc3c2)sc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(NC(=O)c2ccc3ncsc3c2)sc1[*:1]
CCC[NH2+]Cc1cccc(OC[C@H]2CCCO2)c1 CCC[*:1] c1cc(cc(c1)OC[C@H]1CCCO1)C[NH2+][*:1]
CCC[NH2+]Cc1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] CCC[NH2+]Cc1cccc(c1)O[*:1]
CCC[NH2+]Cc1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CCC[NH2+]Cc1cccc(c1)OC[*:1]
CCn1c(SCC(=O)N(C)C2CCOCC2)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N(C)C1CCOCC1
CCn1c(SCC(=O)N(C)C2CCOCC2)nnc1-c1ccco1 C1CC(CCO1)[*:1] CCn1c(nnc1-c1ccco1)SCC(=O)N(C)[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1 CCO[*:1] O=C(COc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)[C@@H]1CCCN1C(=O)COc1cc(F)ccc1[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1 CCOc1ccc(cc1)[*:1] O=C(COc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]1[*:1]
COc1cc(C#N)cc(I)c1OCC(=O)[O-] O=C([O-])C[*:1] COc1cc(C#N)cc(I)c1O[*:1]
COc1cc(C#N)cc(I)c1OCC(=O)[O-] O=C([O-])[*:1] COc1cc(C#N)cc(I)c1OC[*:1]
COc1cc(C#N)cc(I)c1OCC(=O)[O-] O=C([O-])CO[*:1] COc1cc(C#N)cc(I)c1[*:1]
COCc1ccccc1NC(=O)NC[C@@H](O)c1ccc2ccccc2c1 COC[*:1] O=C(NC[C@@H](O)c1ccc2ccccc2c1)Nc1ccccc1[*:1]
CCCC(CCC)/C([O-])=N/S(=O)(=O)c1ccc2c(c1)CCCO2 CCCC(CCC)[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1ccc2OCCCc2c1
CCCC(CCC)/C([O-])=N/S(=O)(=O)c1ccc2c(c1)CCCO2 CCC[*:1] CCCC(/C([O-])=N/S(=O)(=O)c1ccc2OCCCc2c1)[*:1]
C[C@H](C(=O)NC[C@H]1CCCO1)n1cc(Br)cn1 C1CO[C@H](C1)[*:1] C[C@H](C(=O)NC[*:1])n1cc(Br)cn1
COc1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)cc1F Fc1ccccc1[*:1] COc1ccc(cc1F)CSc1nnc(n1C1CC1)[*:1]
COc1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)cc1F C1CC1[*:1] COc1ccc(cc1F)CSc1nnc(-c2ccccc2F)n1[*:1]
COc1ccccc1[C@@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@H]1C(=O)[O-] Cc1nc(C)c(C[*:1])s1 COc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)[*:1]
COc1ccccc1[C@@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@H]1C(=O)[O-] Cc1nc(C)c(s1)[*:1] COc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)C[*:1]
COc1ccccc1[C@@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@H]1C(=O)[O-] COc1ccccc1[*:1] Cc1nc(C)c(CC(=O)N2C[C@@H](C(=O)[O-])[C@@H](C2)[*:1])s1
COc1ccccc1[C@@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@H]1C(=O)[O-] O=C([O-])[*:1] COc1ccccc1[C@@H]1CN(C[C@@H]1[*:1])C(=O)Cc1sc(C)nc1C
COc1ccccc1COc1ccc2nc3n(c(=O)c2c1)CCC3 COc1ccccc1[*:1] O=c1c2cc(ccc2nc2CCCn21)OC[*:1]
C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1CCO[C@@H]1C CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C)C(=O)[C@@H]1CCO[C@@H]1C
C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1CCO[C@@H]1C CS(=O)(=O)C[*:1] C[C@@H](N(C)C(=O)[C@@H]1CCO[C@@H]1C)[*:1]
COc1ccc(CNc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)cc1OC COc1ccc(cc1OC)[*:1] O=C(c1cnc2ccc(F)cc2c1NC[*:1])N1CCSCC1
COc1ccc(CNc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)cc1OC O=C(N1CCSCC1)[*:1] COc1ccc(cc1OC)CNc1c(cnc2ccc(F)cc12)[*:1]
[NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)[C@H]1O Oc1ccc(cc1Cl)[*:1] [NH3+][C@@H]1c2ccccc2C2(CCN(CC2)C(=O)C[*:1])[C@H]1O
[NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)[C@H]1O Oc1ccc(cc1Cl)C[*:1] [NH3+][C@@H]1c2ccccc2C2(CCN(CC2)C(=O)[*:1])[C@H]1O
COCCOc1ccccc1N1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 COC[*:1] O=C([C@H]1CCCc2ccccc21)N1CCN(CC1)c1ccccc1OC[*:1]
COCCOc1ccccc1N1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 COCC[*:1] O=C([C@H]1CCCc2ccccc21)N1CCN(CC1)c1ccccc1O[*:1]
COCCOc1ccccc1N1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 COCCO[*:1] O=C([C@H]1CCCc2ccccc21)N1CCN(CC1)c1ccccc1[*:1]
Cc1c(C(=O)Nc2nc3c(s2)CCCC3)nnn1-c1nc2c(s1)CCCC2 C1CCc2sc(nc2C1)[*:1] Cc1c(nnn1-c1nc2CCCCc2s1)C(=O)N[*:1]
Cc1c(C(=O)Nc2nc3c(s2)CCCC3)nnn1-c1nc2c(s1)CCCC2 C1CCc2sc(nc2C1)[*:1] Cc1c(nnn1[*:1])C(=O)Nc1nc2CCCCc2s1
C[C@@H]1CCC[C@H](N(C)C(=O)NCc2ccnc(-n3cccn3)c2)C1 c1cnn(c1)[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)NCc1ccnc(c1)[*:1]
NC(=S)C[C@@H]1CCCC(=O)N1 NC(=S)[*:1] O=C1CCC[C@@H](C[*:1])N1
COc1ccc2nc(N3CCCCC3)c(C#N)cc2c1 C1CCN(CC1)[*:1] COc1ccc2nc(c(C#N)cc2c1)[*:1]
CC(C)OC(=O)N1CCC(NC(=O)N2CCC[C@H](C)[C@H]2C)CC1 CC(C)[*:1] C[C@H]1CCCN(C(=O)NC2CCN(CC2)C(=O)O[*:1])[C@@H]1C
Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 Cn1ccnc1C(=O)[*:1] O=C(c1n[nH]c2ccccc12)N1CCC[C@H](C1)[*:1]
Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 Cn1ccnc1[*:1] O=C(c1n[nH]c2ccccc12)N1CCC[C@H](C1)C(=O)[*:1]
O=C(NC1CC=CC1)N[C@@H]1CCCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] O=C(NC1CC=CC1)N[C@@H]1CCCN(C1=O)[*:1]
C[C@@]1(c2ccccn2)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O c1ccc(nc1)[*:1] C[C@]1(NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O)[*:1]
Cc1ccc2[nH]c(CN3CCCC[C@@H]3c3ccn(C)n3)cc(=O)c2c1 Cn1ccc(n1)[*:1] Cc1ccc2[nH]c(cc(=O)c2c1)CN1CCCC[C@H]1[*:1]
COC(=O)[C@@H]1C[C@H]1C(=O)NNc1cc(C#N)cc(Cl)n1 COC(=O)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)[C@@H]1C[C@H]1[*:1]
CC(=O)Nc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 CC(=O)N[*:1] O=[N+]([O-])c1c(ccc2nonc12)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)Nc1ccc2nonc2c1[*:1]
CCC1CCC([NH+](Cn2ncn(C)c2=S)C2CC2)CC1 C1CC1[*:1] CCC1CCC(CC1)[NH+](Cn1ncn(C)c1=S)[*:1]
COc1ccc(/C(C)=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 COc1ccc(cc1)[*:1] CC(=NNC(=O)[C@H](C)SCc1ccccc1)[*:1]
COc1ccc(/C(C)=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 c1ccc(cc1)CS[*:1] COc1ccc(cc1)/C(C)=N/NC(=O)[C@H](C)[*:1]
COc1ccc(/C(C)=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)/C(C)=N/NC(=O)[C@H](C)S[*:1]
COc1ccc(/C(C)=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)/C(C)=N/NC(=O)[C@H](C)SC[*:1]
COC(=O)c1ccc(NC(=O)C[C@H](c2ccccc2)n2cccc2)cc1 COC(=O)[*:1] O=C(C[C@H](c1ccccc1)n1cccc1)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)C[C@H](c2ccccc2)n2cccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)C[C@H](n1cccc1)[*:1]
COC(=O)c1ccc(NC(=O)C[C@H](c2ccccc2)n2cccc2)cc1 c1ccn(c1)[*:1] COC(=O)c1ccc(cc1)NC(=O)C[C@H](c1ccccc1)[*:1]
CC(C)CS(=O)(=O)Cc1cc(=O)n2ccccc2n1 CC(C)C[*:1] O=c1cc(CS(=O)(=O)[*:1])nc2ccccn12
CC(C)CS(=O)(=O)Cc1cc(=O)n2ccccc2n1 CC(C)[*:1] O=c1cc(CS(=O)(=O)C[*:1])nc2ccccn12
COC(=O)C1=C(/C=C(\C#N)C2=NC(=O)C3=C(C)[C@H](C)SC3=N2)CCO1 COC(=O)[*:1] CC1=C2C(=O)N=C(N=C2S[C@H]1C)/C(C#N)=C/C1CCOC=1[*:1]
O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccnc1 c1cncc(c1)[*:1] O=C(c1ccccc1)N1CCN(CC1)c1ccccc1NC(=O)[*:1]
O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccnc1 O=C(N[*:1])c1cccnc1 O=C(c1ccccc1)N1CCN(CC1)c1ccccc1[*:1]
O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccnc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1N1CCN(CC1)C(=O)[*:1])c1cccnc1
CO[C@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)N1CCC[C@@H](C1)NS(C)(=O)=O)[*:1]
CO[C@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 CS(=O)(=O)N[*:1] CO[C@H](C(=O)N1CCC[C@H](C1)[*:1])c1ccccc1
CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)N(C)Cc3ccccc3)cc2[C@@H]1c1ccccc1 c1ccc(cc1)C[*:1] CC(=O)N1CCc2ccc(cc2[C@@H]1c1ccccc1)O[C@@H](C)C(=O)N(C)[*:1]
CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)N(C)Cc3ccccc3)cc2[C@@H]1c1ccccc1 CN(Cc1ccccc1)C(=O)[*:1] CC(=O)N1CCc2ccc(cc2[C@@H]1c1ccccc1)O[C@@H](C)[*:1]
CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)N(C)Cc3ccccc3)cc2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1CCc2ccc(cc2[C@H]1[*:1])O[C@@H](C)C(=O)N(C)Cc1ccccc1
CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)N(C)Cc3ccccc3)cc2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1CCc2ccc(cc2[C@@H]1c1ccccc1)O[C@@H](C)C(=O)N(C)C[*:1]
CC(C)CCN(CCC#N)C(=O)Nc1ccc(Cl)cc1F CC(C)CC[*:1] N#CCCN(C(=O)Nc1ccc(Cl)cc1F)[*:1]
CC(C)CCN(CCC#N)C(=O)Nc1ccc(Cl)cc1F CC(C)[*:1] N#CCCN(CC[*:1])C(=O)Nc1ccc(Cl)cc1F
CC(C)CCN(CCC#N)C(=O)Nc1ccc(Cl)cc1F N#CC[*:1] CC(C)CCN(C[*:1])C(=O)Nc1ccc(Cl)cc1F
CC(C)CCN(CCC#N)C(=O)Nc1ccc(Cl)cc1F CC(C)C[*:1] N#CCCN(C[*:1])C(=O)Nc1ccc(Cl)cc1F
CC(C)CCN(CCC#N)C(=O)Nc1ccc(Cl)cc1F N#CCC[*:1] CC(C)CCN(C(=O)Nc1ccc(Cl)cc1F)[*:1]
O=C(Cc1ccccc1Cl)N1CCN(c2ccc3nncn3n2)CC1 Clc1ccccc1[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc2nncn2n1
O=C(Cc1ccccc1Cl)N1CCN(c2ccc3nncn3n2)CC1 Clc1ccccc1C[*:1] O=C(N1CCN(CC1)c1ccc2nncn2n1)[*:1]
CN(C[C@@H]1CCCO1)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 O=C1CCCN1[*:1] CN(C[C@@H]1CCCO1)C(=O)c1cc(cc(c1)[*:1])C(F)(F)F
CN(C[C@@H]1CCCO1)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 FC(F)(F)[*:1] CN(C[C@@H]1CCCO1)C(=O)c1cc(cc(c1)[*:1])N1CCCC1=O
COC(=O)CCNc1ccccc1F COC(=O)[*:1] Fc1ccccc1NCC[*:1]
C=CCOC(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1Cl C=CC[*:1] O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1C(=O)O[*:1]
C=CCOC(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1Cl C=CCOC(=O)[*:1] O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1[*:1]
COc1ccc2c(c1)N(C(=O)[C@@H](C)OCC1CC1)CCO2 C1CC1[*:1] COc1ccc2OCCN(C(=O)[C@@H](C)OC[*:1])c2c1
COc1ccc2c(c1)N(C(=O)[C@@H](C)OCC1CC1)CCO2 C[C@@H](OCC1CC1)[*:1] COc1ccc2OCCN(C(=O)[*:1])c2c1
COc1ccc2c(c1)N(C(=O)[C@@H](C)OCC1CC1)CCO2 C1CC1C[*:1] COc1ccc2OCCN(C(=O)[C@@H](C)O[*:1])c2c1
COc1ccc2c(c1)N(C(=O)[C@@H](C)OCC1CC1)CCO2 C1CC1CO[*:1] COc1ccc2OCCN(C(=O)[C@@H](C)[*:1])c2c1
CCO[C@@H](C)C(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1 CC(C)(C)[*:1] CCO[C@@H](C)C(=O)Nc1ccc(cc1)-c1noc(n1)[*:1]
CCO[C@@H](C)C(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1 CCO[C@@H](C)[*:1] CC(C)(C)c1nc(no1)-c1ccc(cc1)NC(=O)[*:1]
CCO[C@@H](C)C(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1 CCO[*:1] C[C@@H](C(=O)Nc1ccc(cc1)-c1noc(n1)C(C)(C)C)[*:1]
O=C(Cn1ccc(C(F)(F)F)n1)NCCC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cn1ccc(n1)C(F)(F)F)NCC[*:1]
O=C(Cn1ccc(C(F)(F)F)n1)NCCC1CCCCC1 FC(F)(F)[*:1] O=C(Cn1ccc(n1)[*:1])NCCC1CCCCC1
O=C(Cn1ccc(C(F)(F)F)n1)NCCC1CCCCC1 C1CCC(CC1)C[*:1] O=C(Cn1ccc(n1)C(F)(F)F)NC[*:1]
O=C(Nc1ccc(F)c(Cl)c1)N1CCN(Cc2ccccc2)c2ncccc21 c1ccc(cc1)C[*:1] O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2ncccc21)[*:1]
O=C(Nc1ccc(F)c(Cl)c1)N1CCN(Cc2ccccc2)c2ncccc21 Fc1ccc(cc1Cl)[*:1] O=C(N[*:1])N1CCN(Cc2ccccc2)c2ncccc21
O=C(Nc1ccc(F)c(Cl)c1)N1CCN(Cc2ccccc2)c2ncccc21 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[*:1])c2ncccc21
CC(C)[NH+](C)Cc1ccccc1CNc1ncnc2[nH]cnc12 CC(C)[*:1] C[NH+](Cc1ccccc1CNc1ncnc2[nH]cnc12)[*:1]
COC(=O)c1ccc(OCc2ccc(OC)c(OC)c2Br)cc1 COC(=O)[*:1] COc1ccc(COc2ccc(cc2)[*:1])c(Br)c1OC
CCC[NH2+][C@H](C)c1nc([C@H]2CN(C(C)C)CCO2)no1 CCC[*:1] CC(C)N1CCO[C@H](C1)c1noc(n1)[C@@H](C)[NH2+][*:1]
CCC[NH2+][C@H](C)c1nc([C@H]2CN(C(C)C)CCO2)no1 CC(C)[*:1] CCC[NH2+][C@H](C)c1nc(no1)[C@H]1CN(CCO1)[*:1]
COCCn1ccc2ccc(NC(=O)NCCc3c(C)noc3C)cc21 COCC[*:1] Cc1noc(C)c1CCNC(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)NCCc3c(C)noc3C)cc21 Cc1noc(C)c1[*:1] COCCn1ccc2ccc(cc21)NC(=O)NCC[*:1]
COCCn1ccc2ccc(NC(=O)NCCc3c(C)noc3C)cc21 COC[*:1] Cc1noc(C)c1CCNC(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)NCCc3c(C)noc3C)cc21 Cc1noc(C)c1C[*:1] COCCn1ccc2ccc(cc21)NC(=O)NC[*:1]
Cc1cc(NC(=O)NNc2ccc(Cl)nn2)c2ncccc2c1 Clc1ccc(nn1)[*:1] Cc1cc(NC(=O)NN[*:1])c2ncccc2c1
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F Cc1ocnc1[*:1] O=C(NC[*:1])C(=O)Nc1ccc(F)cc1C(F)(F)F
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F Cc1ocnc1C[*:1] O=C(Nc1ccc(F)cc1C(F)(F)F)C(=O)N[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ocnc1CNC(=O)C(=O)Nc1ccc(F)cc1[*:1]
COCCNC(=O)[C@H](C)OC(=O)c1cc(C)ccc1N COC[*:1] Cc1ccc(N)c(c1)C(=O)O[C@@H](C)C(=O)NC[*:1]
COCCNC(=O)[C@H](C)OC(=O)c1cc(C)ccc1N COCC[*:1] Cc1ccc(N)c(c1)C(=O)O[C@@H](C)C(=O)N[*:1]
CNS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 CNS(=O)(=O)[*:1] CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 Fc1cccc(F)c1[*:1] CNS(=O)(=O)c1ccc(cc1)NC(=O)[C@@H](NC(=O)[*:1])C(C)C
CNS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 CC(C)[*:1] CNS(=O)(=O)c1ccc(cc1)NC(=O)[C@@H](NC(=O)c1c(F)cccc1F)[*:1]
CC(=O)Nc1ccc(CCNC(=O)Nc2cncc(C)c2)cc1 Cc1cncc(c1)[*:1] CC(=O)Nc1ccc(cc1)CCNC(=O)N[*:1]
CC(=O)Nc1ccc(CCNC(=O)Nc2cncc(C)c2)cc1 CC(=O)N[*:1] Cc1cncc(c1)NC(=O)NCCc1ccc(cc1)[*:1]
CCOC(=O)/C=C(\C)NC(=O)c1ccccc1 CCOC(=O)[*:1] CC(=C[*:1])NC(=O)c1ccccc1
COc1ccc(CCNC(=O)/C(C#N)=C\C2=Cc3cc(Cl)cc(Cl)c3OC2)cc1OC COc1ccc(cc1OC)[*:1] N#C/C(=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)NCC[*:1]
CC/C=C(/C)C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 CCC=C(C)[*:1] O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)[*:1]
CC/C=C(/C)C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 Fc1ccc(cc1)[*:1] CC/C=C(/C)C(=O)N[C@H]([C@H]1CCCO1)[*:1]
CC/C=C(/C)C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC/C=C(/C)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CCOc1ncccc1CNC(=O)NCCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] CCOc1ncccc1CNC(=O)NCC[*:1]
CCOc1ncccc1CNC(=O)NCCc1nnc2n1CCC2 CCO[*:1] O=C(NCCc1nnc2CCCn21)NCc1cccnc1[*:1]
CCN(CCC#N)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C N#CC[*:1] CCN(C[*:1])[C@H](C)C(=O)N[C@@H](C)c1ccccc1C
CCN(CCC#N)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C N#CCC[*:1] CCN([C@H](C)C(=O)N[C@@H](C)c1ccccc1C)[*:1]
CCN(CCC#N)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C CCN(CCC#N)[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[*:1]
CCN(CCC#N)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C Cc1ccccc1[*:1] CCN(CCC#N)[C@H](C)C(=O)N[C@@H](C)[*:1]
C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)c1cccc(C#N)c1 c1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)N[C@H](C)c1cccc(C#N)c1
C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](C)[*:1]
O=[N+]([O-])c1ccccc1N1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 O=[N+]([O-])[*:1] Brc1ccccc1-c1nnc(CN2CCN(CC2)c2ccccc2[*:1])o1
O=[N+]([O-])c1ccccc1N1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 Brc1ccccc1[*:1] O=[N+]([O-])c1ccccc1N1CCN(CC1)Cc1nnc(o1)[*:1]
O=[N+]([O-])c1ccccc1N1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 O=[N+]([O-])c1ccccc1[*:1] Brc1ccccc1-c1nnc(CN2CCN(CC2)[*:1])o1
Cc1n[nH]cc1C[NH2+][C@H](c1ccccc1)C1CCCC1 C1CCC(C1)[*:1] Cc1n[nH]cc1C[NH2+][C@H](c1ccccc1)[*:1]
Cc1n[nH]cc1C[NH2+][C@H](c1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] Cc1n[nH]cc1C[NH2+][C@H](C1CCCC1)[*:1]
CC(C)(C)c1nc(C/[NH+]=C(\N)NC2CCCCCC2)cs1 C1CCCC(CC1)[*:1] CC(C)(C)c1nc(cs1)C/[NH+]=C(\N)N[*:1]
CC(C)(C)c1nc(C/[NH+]=C(\N)NC2CCCCCC2)cs1 CC(C)(C)[*:1] N/C(NC1CCCCCC1)=[NH+]\Cc1csc(n1)[*:1]
O=C(Cc1ccc(O)cc1)NC[C@@H](O)c1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(Cc1ccc(O)cc1)NC[C@@H](O)c1cccc(c1)[*:1]
O=C(Cc1ccc(O)cc1)NC[C@@H](O)c1cccc(OC(F)F)c1 FC(F)[*:1] O=C(Cc1ccc(O)cc1)NC[C@@H](O)c1cccc(c1)O[*:1]
O=C(Cc1ccc(O)cc1)NC[C@@H](O)c1cccc(OC(F)F)c1 Oc1ccc(cc1)[*:1] O=C(C[*:1])NC[C@@H](O)c1cccc(c1)OC(F)F
O=C(Cc1ccc(O)cc1)NC[C@@H](O)c1cccc(OC(F)F)c1 Oc1ccc(cc1)C[*:1] O=C(NC[C@@H](O)c1cccc(c1)OC(F)F)[*:1]
CN(CC[NH+]1CCCC1)CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] CN(CC[NH+]1CCCC1)CC(=O)NC1CCN(CC1)C(=O)[*:1]
CCCN(CC[NH+](C)C)C(=O)c1cnn2cc(Br)cnc12 CCC[*:1] C[NH+](C)CCN(C(=O)c1cnn2cc(Br)cnc12)[*:1]
Cc1cc(C)c2sc(N(Cc3ccco3)C(=O)c3cccc(S(=O)(=O)C(C)C)c3)nc2c1 c1coc(c1)C[*:1] Cc1cc(C)c2sc(nc2c1)N(C(=O)c1cccc(c1)S(=O)(=O)C(C)C)[*:1]
Cc1cc(C)c2sc(N(Cc3ccco3)C(=O)c3cccc(S(=O)(=O)C(C)C)c3)nc2c1 CC(C)S(=O)(=O)[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1ccco1)C(=O)c1cccc(c1)[*:1]
Cc1cc(C)c2sc(N(Cc3ccco3)C(=O)c3cccc(S(=O)(=O)C(C)C)c3)nc2c1 CC(C)[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1ccco1)C(=O)c1cccc(c1)S(=O)(=O)[*:1]
Cc1cc(C)c2sc(N(Cc3ccco3)C(=O)c3cccc(S(=O)(=O)C(C)C)c3)nc2c1 c1coc(c1)[*:1] Cc1cc(C)c2sc(nc2c1)N(C[*:1])C(=O)c1cccc(c1)S(=O)(=O)C(C)C
O=C(NCc1cccc(Cl)c1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 Clc1cccc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)Cc1c[nH]c2ccccc12
O=C(NCc1cccc(Cl)c1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCc1cccc(Cl)c1)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(NCc1cccc(Cl)c1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 Clc1cccc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)Cc1c[nH]c2ccccc12
O=C1N(CC[C@H]2CCCO2)C[C@H]2C[NH2+]CCN12 C1CO[C@H](C1)[*:1] O=C1N(CC[*:1])C[C@H]2C[NH2+]CCN12
C[C@H](O)[C@@H](C)SCC(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@H](O)[C@@H](C)SCC(=O)Nc1ccc(cc1)[*:1]
C[C@H](O)[C@@H](C)SCC(=O)Nc1ccc(OC(F)(F)F)cc1 C[C@H](O)[*:1] C[C@@H](SCC(=O)Nc1ccc(cc1)OC(F)(F)F)[*:1]
C[C@H](O)[C@@H](C)SCC(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](O)[C@@H](C)SCC(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CCNC(N)=O)C2)cc1 Cc1ccc(cc1)[*:1] NC(=O)NCCC(=O)N1CCC[C@H](C1)c1[nH]ncc1[*:1]
Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CCNC(N)=O)C2)cc1 NC(=O)N[*:1] Cc1ccc(cc1)-c1cn[nH]c1[C@@H]1CCCN(C1)C(=O)CC[*:1]
Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CCNC(N)=O)C2)cc1 NC(=O)NC[*:1] Cc1ccc(cc1)-c1cn[nH]c1[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CCNC(N)=O)C2)cc1 NC(=O)NCC[*:1] Cc1ccc(cc1)-c1cn[nH]c1[C@@H]1CCCN(C1)C(=O)[*:1]
CSCCN(C)C(=O)Cn1c(C)cc(=O)c2ccccc21 CSCC[*:1] Cc1cc(=O)c2ccccc2n1CC(=O)N(C)[*:1]
CSCCN(C)C(=O)Cn1c(C)cc(=O)c2ccccc21 CSC[*:1] Cc1cc(=O)c2ccccc2n1CC(=O)N(C)C[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)NCc2nc(C(C)C)cs2)C1 CC(C)[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)NCc1nc(cs1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)NCc2nc(C(C)C)cs2)C1 CCNS(=O)(=O)[*:1] CC(C)c1csc(CNC(=O)N2CC[C@@H](C2)[*:1])n1
COC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)c1cccc(F)c1
CC[C@H](Cc1ccccc1)[NH2+]Cc1nncn1C1CC1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])[NH2+]Cc1nncn1C1CC1
CC[C@H](Cc1ccccc1)[NH2+]Cc1nncn1C1CC1 C1CC1[*:1] CC[C@H](Cc1ccccc1)[NH2+]Cc1nncn1[*:1]
CN(CCC#N)C(=O)CC[NH+]1CCN(c2nccs2)CC1 N#CCC[*:1] CN(C(=O)CC[NH+]1CCN(CC1)c1nccs1)[*:1]
CN(CCC#N)C(=O)CC[NH+]1CCN(c2nccs2)CC1 N#CC[*:1] CN(C[*:1])C(=O)CC[NH+]1CCN(CC1)c1nccs1
CN(CCC#N)C(=O)CC[NH+]1CCN(c2nccs2)CC1 c1csc(n1)[*:1] CN(CCC#N)C(=O)CC[NH+]1CCN(CC1)[*:1]
C[C@@H]1C[NH+](Cc2ccccc2C(N)=S)C[C@H]1C NC(=S)[*:1] C[C@@H]1C[NH+](Cc2ccccc2[*:1])C[C@H]1C
CNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 CNC(=O)[*:1] COc1ccc(c(c1)OC)N(C[*:1])S(=O)(=O)c1ccccc1
CNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)CN(c1ccc(cc1OC)OC)S(=O)(=O)[*:1]
CNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 CNC(=O)C[*:1] COc1ccc(c(c1)OC)N(S(=O)(=O)c1ccccc1)[*:1]
CN1C(=O)[C@H]2[C@@H](NCN2CCCC[NH+]2CCN(c3ncccn3)CC2)N(C)C1=O c1cnc(nc1)[*:1] CN1C(=O)[C@H]2[C@@H](NCN2CCCC[NH+]2CCN(CC2)[*:1])N(C)C1=O
COc1ccc(Nc2nnc(C(C)(C)C)c(=O)n2N)cc1 CC(C)(C)[*:1] COc1ccc(cc1)Nc1nnc(c(=O)n1N)[*:1]
CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 c1ccc(cc1)[*:1] CC(C)N(Cc1nnc(o1)[*:1])C(=O)c1csc(n1)-c1ccc(Cl)cc1
CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CC(C)N(Cc1nnc(o1)-c1ccccc1)C(=O)c1csc(n1)[*:1]
CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 CC(C)[*:1] O=C(c1csc(n1)-c1ccc(Cl)cc1)N(Cc1nnc(o1)-c1ccccc1)[*:1]
Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] Cc1cc(no1)NC(=O)N(CC[NH+](C)C)Cc1cccc(c1)[*:1]
Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)no1 Cc1cc(no1)[*:1] C[NH+](C)CCN(Cc1cccc(c1)C(F)(F)F)C(=O)N[*:1]
Cn1cnnc1[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2Cl)C1 FC(F)(F)[*:1] Cn1cnnc1[C@H]1CCCN(Cc2cc(ccc2Cl)[*:1])C1
Cn1cnnc1[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2Cl)C1 Cn1cnnc1[*:1] FC(F)(F)c1ccc(Cl)c(c1)CN1CCC[C@@H](C1)[*:1]
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1CCN(c2ccc(F)cc2)CC1 O=[N+]([O-])[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])N1CCN(CC1)[*:1]
COC(=O)c1c(NC(=S)Nc2ccc3c(c2)CCC3)sc2c1CC[C@H](C)C2 COC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=S)Nc1ccc3CCCc3c1)c2[*:1]
COC(=O)c1c(NC(=S)Nc2ccc3c(c2)CCC3)sc2c1CC[C@H](C)C2 c1cc2CCCc2cc1[*:1] COC(=O)c1c(NC(=S)N[*:1])sc2C[C@@H](C)CCc21
C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(F)cc2Cl)CC1=O Fc1ccc(c(Cl)c1)[*:1] C[C@H](c1ccccc1)N1C[C@H](CC1=O)C(=O)N[*:1]
C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(F)cc2Cl)CC1=O C[C@H](c1ccccc1)[*:1] O=C(Nc1ccc(F)cc1Cl)[C@H]1CC(=O)N(C1)[*:1]
C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(F)cc2Cl)CC1=O c1ccc(cc1)[*:1] C[C@H](N1C[C@H](CC1=O)C(=O)Nc1ccc(F)cc1Cl)[*:1]
CCc1c(C(=O)N2CCO[C@@H](C)C2)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1c(cnn1[*:1])C(=O)N1CCO[C@@H](C)C1
CCN(c1cncc(-n2nc(C)cc2C)n1)[C@H](C)c1cccnc1 c1cncc(c1)[*:1] CCN(c1cncc(n1)-n1nc(C)cc1C)[C@H](C)[*:1]
CCN(c1cncc(-n2nc(C)cc2C)n1)[C@H](C)c1cccnc1 Cc1cc(C)n(n1)[*:1] CCN(c1cncc(n1)[*:1])[C@H](C)c1cccnc1
CCN(c1cncc(-n2nc(C)cc2C)n1)[C@H](C)c1cccnc1 C[C@H](c1cccnc1)[*:1] CCN(c1cncc(n1)-n1nc(C)cc1C)[*:1]
C#CCNC(=O)[C@H](C)SC[C@@H](O)CO OC[C@H](O)[*:1] C#CCNC(=O)[C@H](C)SC[*:1]
C#CCNC(=O)[C@H](C)SC[C@@H](O)CO C#CC[*:1] C[C@H](SC[C@@H](O)CO)C(=O)N[*:1]
O=C([O-])CC1(NC(=O)C2(c3ccccc3)CC2)CCC1 O=C([O-])C[*:1] O=C(NC1(CCC1)[*:1])C1(CC1)c1ccccc1
O=C([O-])CC1(NC(=O)C2(c3ccccc3)CC2)CCC1 c1ccc(cc1)[*:1] O=C([O-])CC1(CCC1)NC(=O)C1(CC1)[*:1]
O=C([O-])CC1(NC(=O)C2(c3ccccc3)CC2)CCC1 O=C([O-])[*:1] O=C(NC1(CCC1)C[*:1])C1(CC1)c1ccccc1
O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] FC(F)(F)c1ccc(cc1)-c1ccccc1[*:1]
O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCCCC1 FC(F)(F)[*:1] O=C(c1ccccc1-c1ccc(cc1)[*:1])N1CCCCC1
O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 c1coc(c1)[*:1] O=C(CN(C[*:1])C(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccccc1
O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(CN(Cc1ccco1)C(=O)[*:1])Nc1ccccc1
O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 O=[N+]([O-])[*:1] O=C(CN(Cc1ccco1)C(=O)c1cccc(c1)[*:1])Nc1ccccc1
O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CN(Cc1ccco1)C(=O)c1cccc(c1)[N+](=O)[O-])N[*:1]
O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 c1coc(c1)C[*:1] O=C(CN(C(=O)c1cccc(c1)[N+](=O)[O-])[*:1])Nc1ccccc1
O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N(Cc1ccco1)C[*:1]
Cc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C Cc1ccc(Cl)cc1[*:1] Cc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=N[*:1])N(C)C1=O
Cc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C Cc1ccc(Cl)cc1[*:1] Cc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)N[*:1])C(=O)N1C
O=C(NC1Cc2ccccc2C1)c1cc([C@H]2C=CN=[NH+]2)cc(S(=O)(=O)NC2CCCCC2)c1 O=S(=O)(NC1CCCCC1)[*:1] O=C(NC1Cc2ccccc2C1)c1cc(cc(c1)[*:1])[C@H]1C=CN=[NH+]1
O=C(NC1Cc2ccccc2C1)c1cc([C@H]2C=CN=[NH+]2)cc(S(=O)(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NC1Cc2ccccc2C1)c1cc(cc(c1)S(=O)(=O)N[*:1])[C@H]1C=CN=[NH+]1
O=C(NC1Cc2ccccc2C1)c1cc([C@H]2C=CN=[NH+]2)cc(S(=O)(=O)NC2CCCCC2)c1 c1ccc2CC(Cc2c1)[*:1] O=C(N[*:1])c1cc(cc(c1)S(=O)(=O)NC1CCCCC1)[C@H]1C=CN=[NH+]1
Cc1nc2cc(NC(=O)C(=O)NC[C@@H](C)c3ccsc3)ccc2n1C c1cc(cs1)[*:1] Cc1nc2cc(ccc2n1C)NC(=O)C(=O)NC[C@@H](C)[*:1]
CC(C)c1n[nH]c(=S)n1C CC(C)[*:1] Cn1c(n[nH]c1=S)[*:1]
Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(OCC(C)C)CC1 CC(C)CO[*:1] Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(CC1)[*:1]
Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(OCC(C)C)CC1 CC(C)C[*:1] Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(CC1)O[*:1]
Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(OCC(C)C)CC1 Cc1n[nH]c(C)c1[*:1] CC(C)COC1CC[NH+](CC1)CC(=O)N[*:1]
Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(OCC(C)C)CC1 CC(C)[*:1] Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(CC1)OC[*:1]
CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CCCc4cccc2c43)cc1 CCS(=O)(=O)[*:1] C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCc3cccc1c32)c1ccc(cc1)[*:1]
C[C@H]1CCC[C@@]1(C(=O)[O-])S(=O)(=O)c1cc(F)ccc1F O=C([O-])[*:1] C[C@H]1CCC[C@]1(S(=O)(=O)c1cc(F)ccc1F)[*:1]
N#Cc1ccc(OC2CCN(C(=O)c3ccc(Br)o3)CC2)nc1 Brc1ccc(o1)[*:1] N#Cc1ccc(nc1)OC1CCN(CC1)C(=O)[*:1]
CNC(=O)c1cc(Cl)ccc1NCc1nnc(C(C)(C)C)o1 CC(C)(C)[*:1] CNC(=O)c1cc(Cl)ccc1NCc1nnc(o1)[*:1]
CNC(=O)c1cc(Cl)ccc1NCc1nnc(C(C)(C)C)o1 CNC(=O)[*:1] CC(C)(C)c1nnc(CNc2ccc(Cl)cc2[*:1])o1
O=C(N[C@H]1CCCC[NH2+]C1)c1n[nH]c(C2CC2)n1 C1CC1[*:1] O=C(N[C@H]1CCCC[NH2+]C1)c1n[nH]c(n1)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC[C@@H]1C[C@H]1NC(=O)c1cc(cc(c1)[*:1])C(=O)OC
CCC[C@@H]1C[C@H]1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 COC(=O)[*:1] CCC[C@@H]1C[C@H]1NC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CCC[C@@H]1C[C@H]1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 CCC[*:1] COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]1[*:1]
COC(=O)[C@@H]1CCN(C(=O)CSCC(F)(F)F)c2ccccc21 FC(F)(F)C[*:1] COC(=O)[C@@H]1CCN(C(=O)CS[*:1])c2ccccc21
COC(=O)[C@@H]1CCN(C(=O)CSCC(F)(F)F)c2ccccc21 FC(F)(F)CS[*:1] COC(=O)[C@@H]1CCN(C(=O)C[*:1])c2ccccc21
COC(=O)[C@@H]1CCN(C(=O)CSCC(F)(F)F)c2ccccc21 FC(F)(F)[*:1] COC(=O)[C@@H]1CCN(C(=O)CSC[*:1])c2ccccc21
COC(=O)[C@@H]1CCN(C(=O)CSCC(F)(F)F)c2ccccc21 COC(=O)[*:1] O=C(CSCC(F)(F)F)N1CC[C@H](c2ccccc21)[*:1]
COC(=O)[C@@H]1CCN(C(=O)CSCC(F)(F)F)c2ccccc21 FC(F)(F)CSC[*:1] COC(=O)[C@@H]1CCN(C(=O)[*:1])c2ccccc21
Cc1c(NC(=O)N2CCC[C@@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)N1CCC[C@@H](C)[C@@H]1CO
COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1nccs1 c1csc(n1)[*:1] COc1ccc(Cl)cc1C(=O)OCC(=O)N[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)Cc1n[nH]c2ccccc12 CC(C)OC(=O)[*:1] C[C@@H](CNC(=O)Cc1n[nH]c2ccccc12)[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)Cc1n[nH]c2ccccc12 CC(C)[*:1] C[C@@H](CNC(=O)Cc1n[nH]c2ccccc12)C(=O)O[*:1]
Cc1ccc(-c2cc(C(=O)NNC(=O)N[C@H]3CC[C@@H]([NH+](C)C)C3)[nH]n2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NNC(=O)c1cc(n[nH]1)[*:1]
CCCOCC(=O)N[C@@H]1C[C@](C)(OC)C1(C)C CCCO[*:1] CO[C@@]1(C)C[C@@H](NC(=O)C[*:1])C1(C)C
CCCOCC(=O)N[C@@H]1C[C@](C)(OC)C1(C)C CCCOC[*:1] CO[C@@]1(C)C[C@@H](NC(=O)[*:1])C1(C)C
CCCOCC(=O)N[C@@H]1C[C@](C)(OC)C1(C)C CCC[*:1] CO[C@@]1(C)C[C@@H](NC(=O)CO[*:1])C1(C)C
CCOC(=O)C1=C(C)N=C2C[C@@H](C)[C@H](C(=O)OC)C(=O)[C@@H]2[C@H]1c1ccc(C)cc1 COC(=O)[*:1] CCOC(=O)C1=C(C)N=C2C[C@@H](C)[C@H](C(=O)[C@@H]2[C@H]1c1ccc(C)cc1)[*:1]
CCOC(=O)C1=C(C)N=C2C[C@@H](C)[C@H](C(=O)OC)C(=O)[C@@H]2[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N=C2C[C@@H](C)[C@H](C(=O)OC)C(=O)[C@@H]2[C@@H]1[*:1]
CCOC(=O)C1=C(C)N=C2C[C@@H](C)[C@H](C(=O)OC)C(=O)[C@@H]2[C@H]1c1ccc(C)cc1 CCOC(=O)[*:1] COC(=O)[C@@H]1C(=O)[C@H]2C(C[C@H]1C)=NC(C)=C([C@@H]2c1ccc(C)cc1)[*:1]
CO[C@H]1CCC[C@H]1n1c([C@@H](C)Cl)nc2cnccc21 C[C@@H](Cl)[*:1] CO[C@H]1CCC[C@H]1n1c(nc2cnccc21)[*:1]
NC(=O)[C@H]1CCCN(C(=O)CCc2cccc(OC3CCCC3)c2)C1 C1CCC(C1)[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)CCc1cccc(c1)O[*:1]
NC(=O)[C@H]1CCCN(C(=O)CCc2cccc(OC3CCCC3)c2)C1 C1CCC(C1)O[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)CCc1cccc(c1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)CCc2cccc(OC3CCCC3)c2)C1 NC(=O)[*:1] O=C(CCc1cccc(c1)OC1CCCC1)N1CCC[C@@H](C1)[*:1]
C[C@H]1CN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C(C)(C)CO1 NC(=O)[*:1] C[C@H]1CN(CC(=O)N(CC[*:1])c2ccc(F)cc2)C(C)(C)CO1
C[C@H]1CN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C(C)(C)CO1 NC(=O)CC[*:1] C[C@H]1CN(CC(=O)N(c2ccc(F)cc2)[*:1])C(C)(C)CO1
C[C@H]1CN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C(C)(C)CO1 Fc1ccc(cc1)[*:1] C[C@H]1CN(CC(=O)N(CCC(N)=O)[*:1])C(C)(C)CO1
C[C@H]1CN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C(C)(C)CO1 NC(=O)C[*:1] C[C@H]1CN(CC(=O)N(C[*:1])c2ccc(F)cc2)C(C)(C)CO1
CCOC(=O)C1=C(C)/C(=N\Nc2ccc(F)cc2)N=C1C Fc1ccc(cc1)[*:1] CCOC(=O)C1C(C)=N/C(=N/N[*:1])C=1C
CCOC(=O)C1=C(C)/C(=N\Nc2ccc(F)cc2)N=C1C CCOC(=O)[*:1] CC1=N/C(=N/Nc2ccc(F)cc2)C(C)=C1[*:1]
C#CC[C@H](OC(=O)c1cn(C)nc1CC)c1ccccn1 c1ccc(nc1)[*:1] C#CC[C@H](OC(=O)c1cn(C)nc1CC)[*:1]
C#CC[C@H](OC(=O)c1cn(C)nc1CC)c1ccccn1 C#CC[*:1] CCc1nn(C)cc1C(=O)O[C@H](c1ccccn1)[*:1]
O=C1[C@@H]2CCCN2C(=O)CN1CCCCO OCCCC[*:1] O=C1CN(C(=O)[C@@H]2CCCN12)[*:1]
O=C1[C@@H]2CCCN2C(=O)CN1CCCCO OCCC[*:1] O=C1[C@@H]2CCCN2C(=O)CN1C[*:1]
O=C1[C@@H]2CCCN2C(=O)CN1CCCCO OCC[*:1] O=C1[C@@H]2CCCN2C(=O)CN1CC[*:1]
COc1ccc(NC(=O)[C@@H](C)CC(=O)c2ccccc2F)c(C)c1 Fc1ccccc1[*:1] COc1ccc(NC(=O)[C@@H](C)CC(=O)[*:1])c(C)c1
CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 CC(C)[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1)[*:1]
CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1C[*:1]
CCC[C@@H](C#N)NC(=O)c1ccc(OCC(F)F)nc1 FC(F)[*:1] CCC[C@@H](C#N)NC(=O)c1ccc(nc1)OC[*:1]
CCC[C@@H](C#N)NC(=O)c1ccc(OCC(F)F)nc1 CCC[*:1] N#C[C@@H](NC(=O)c1ccc(nc1)OCC(F)F)[*:1]
CCC[C@@H](C#N)NC(=O)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] CCC[C@@H](C#N)NC(=O)c1ccc(nc1)O[*:1]
CCC[C@@H](C#N)NC(=O)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] CCC[C@@H](C#N)NC(=O)c1ccc(nc1)[*:1]
CCC[C@@H](C#N)NC(=O)c1ccc(OCC(F)F)nc1 CCC[C@@H](C#N)[*:1] O=C(N[*:1])c1ccc(nc1)OCC(F)F
CS[C@H]1CCC[C@@H]1NC(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)NC[*:1]
O=C(Oc1ccc2nccnc2c1)c1sccc1Br Brc1ccsc1[*:1] O=C(Oc1ccc2nccnc2c1)[*:1]
Cc1nn(-c2ccccc2)c(CN2CC[NH+](C)CC2(C)C)c1C#N c1ccc(cc1)[*:1] Cc1nn(c(CN2CC[NH+](C)CC2(C)C)c1C#N)[*:1]
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1 c1csc(c1)-c1nc(cs1)[*:1] CN1CCCCC/C1=N\S(=O)(=O)c1cccc(c1)NC(=O)C[*:1]
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1 c1csc(c1)[*:1] CN1CCCCC/C1=N\S(=O)(=O)c1cccc(c1)NC(=O)Cc1csc(n1)[*:1]
O=C(Cn1c(=O)oc2ccccc21)NCc1ccccc1OC(F)F FC(F)[*:1] O=C(Cn1c(=O)oc2ccccc21)NCc1ccccc1O[*:1]
O=C(Cn1c(=O)oc2ccccc21)NCc1ccccc1OC(F)F FC(F)O[*:1] O=C(Cn1c(=O)oc2ccccc21)NCc1ccccc1[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@H](C(F)(F)F)C1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(cc(c1N1CCC[C@@H](C1)C(F)(F)F)[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=[N+]([O-])c1cc(cc(c1N1CCC[C@H](C1)[*:1])[N+](=O)[O-])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=[N+]([O-])c1cc(cc(c1N1CCC[C@@H](C1)C(F)(F)F)[N+](=O)[O-])[*:1]
O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCCc2ccccc21 FC(F)(F)[*:1] O=C(c1ccc(F)c(c1)[*:1])N1CCCc2ccccc21
CO[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] O=C([O-])[*:1] CO[C@H](C)[C@@H](NC(=O)OCc1ccccc1)[*:1]
CO[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CO[C@H](C)[C@@H](NC(=O)OC[*:1])C(=O)[O-]
CO[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] CO[C@H](C)[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])OCc1ccccc1
CN(CCc1cccs1)c1n[nH]c(=S)n1-c1ccccc1 c1csc(c1)C[*:1] CN(C[*:1])c1n[nH]c(=S)n1-c1ccccc1
CN(CCc1cccs1)c1n[nH]c(=S)n1-c1ccccc1 c1ccc(cc1)[*:1] CN(CCc1cccs1)c1n[nH]c(=S)n1[*:1]
CN(CCc1cccs1)c1n[nH]c(=S)n1-c1ccccc1 c1csc(c1)[*:1] CN(CC[*:1])c1n[nH]c(=S)n1-c1ccccc1
CN(CCc1cccs1)c1n[nH]c(=S)n1-c1ccccc1 c1csc(c1)CC[*:1] CN(c1n[nH]c(=S)n1-c1ccccc1)[*:1]
CSCC[C@](C)(O)CNC(=O)Nc1ccccc1C CSC[*:1] Cc1ccccc1NC(=O)NC[C@@](C)(O)C[*:1]
CSCC[C@](C)(O)CNC(=O)Nc1ccccc1C CSCC[*:1] Cc1ccccc1NC(=O)NC[C@](C)(O)[*:1]
COc1ccccc1CNC(=O)NCc1ccc(F)cc1CSC COc1ccccc1[*:1] CSCc1cc(F)ccc1CNC(=O)NC[*:1]
COc1ccccc1CNC(=O)NCc1ccc(F)cc1CSC CSC[*:1] COc1ccccc1CNC(=O)NCc1ccc(F)cc1[*:1]
Cc1csc(-c2cccc(CN/C([O-])=N/S(=O)(=O)c3ccccc3)c2)n1 Cc1csc(n1)[*:1] O=S(=O)(/N=C(\[O-])NCc1cccc(c1)[*:1])c1ccccc1
Cc1csc(-c2cccc(CN/C([O-])=N/S(=O)(=O)c3ccccc3)c2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)-c1cccc(c1)CN/C([O-])=N/S(=O)(=O)[*:1]
CCCn1ncc(C(=O)N2CCC(C(=O)[O-])CC2)c1C CCC[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC(CC1)C(=O)[O-]
CCCn1ncc(C(=O)N2CCC(C(=O)[O-])CC2)c1C O=C([O-])[*:1] CCCn1ncc(C(=O)N2CCC(CC2)[*:1])c1C
COc1cc2c(cc1OC)CN(C(=O)Nc1cc(C)cc(C)c1)CC2 Cc1cc(C)cc(c1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)N[*:1]
CC1CCN(C(=O)c2ccc(NC[C@@H](C)C[C@@H](C)O)nc2)CC1 C[C@@H](O)C[*:1] CC1CCN(CC1)C(=O)c1ccc(nc1)NC[C@@H](C)[*:1]
CC1CCN(C(=O)c2ccc(NC[C@@H](C)C[C@@H](C)O)nc2)CC1 C[C@@H](O)[*:1] CC1CCN(CC1)C(=O)c1ccc(nc1)NC[C@@H](C)C[*:1]
O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N[*:1]
COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2NC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1[*:1]
COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@H]1CCCN1S(=O)(=O)c1cc(C)ccc1[*:1]
C[C@H](CO)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 C[C@H](CO)[*:1] N#Cc1cc(ccc1OCC(F)(F)F)NC(=O)N[*:1]
C[C@H](CO)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 FC(F)(F)CO[*:1] C[C@H](CO)NC(=O)Nc1ccc(c(C#N)c1)[*:1]
C[C@H](CO)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 FC(F)(F)[*:1] C[C@H](CO)NC(=O)Nc1ccc(OC[*:1])c(C#N)c1
C[C@H](CO)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 FC(F)(F)C[*:1] C[C@H](CO)NC(=O)Nc1ccc(O[*:1])c(C#N)c1
Cc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)c(O)c1 Clc1ccc(s1)[*:1] Cc1ccc(NC(=O)CCC(=O)[*:1])c(O)c1
COCC(=O)CCc1ccncc1 COC[*:1] O=C(CCc1ccncc1)[*:1]
Cc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(=O)[O-] O=C([O-])C[*:1] Cc1ccccc1NC(=O)c1ccccc1NC(=O)C[*:1]
Cc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(=O)[O-] Cc1ccccc1[*:1] O=C([O-])CCC(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(=O)[O-] O=C([O-])CCC(=O)N[*:1] Cc1ccccc1NC(=O)c1ccccc1[*:1]
Cc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(=O)[O-] O=C([O-])CC[*:1] Cc1ccccc1NC(=O)c1ccccc1NC(=O)[*:1]
Cc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(=O)[O-] O=C([O-])[*:1] Cc1ccccc1NC(=O)c1ccccc1NC(=O)CC[*:1]
CC(C)(C)c1csc(CC2(c3ccc(Br)cc3)C[NH2+]C2)n1 Brc1ccc(cc1)[*:1] CC(C)(C)c1csc(CC2(C[NH2+]C2)[*:1])n1
CC(C)(C)c1csc(CC2(c3ccc(Br)cc3)C[NH2+]C2)n1 CC(C)(C)[*:1] Brc1ccc(cc1)C1(C[NH2+]C1)Cc1nc(cs1)[*:1]
CC(C)[C@@H](CS)COc1ccc(C#N)cc1 CC(C)[*:1] N#Cc1ccc(cc1)OC[C@H](CS)[*:1]
Cc1ccc2ncc(C[NH+](C)Cc3nnc(C)n3C)n2c1 Cc1nnc(n1C)[*:1] Cc1ccc2ncc(C[NH+](C)C[*:1])n2c1
O=C(CCn1cccn1)N1CCc2sccc2C1 c1cnn(c1)C[*:1] O=C(C[*:1])N1CCc2sccc2C1
O=C(CCn1cccn1)N1CCc2sccc2C1 c1cnn(c1)[*:1] O=C(CC[*:1])N1CCc2sccc2C1
C[C@H](CNC(=O)NC[C@](C)(O)c1ccco1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)NC[C@](C)(O)c1ccco1)[*:1]
C[C@H](CNC(=O)NC[C@](C)(O)c1ccco1)c1ccsc1 c1coc(c1)[*:1] C[C@H](CNC(=O)NC[C@](C)(O)[*:1])c1ccsc1
C[C@H](CNC(=O)NC[C@](C)(O)c1ccco1)c1ccsc1 C[C@H](c1ccsc1)[*:1] C[C@](O)(CNC(=O)NC[*:1])c1ccco1
N#Cc1cccnc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 N#Cc1cccnc1[*:1] FC(F)(F)c1ccc(nc1)O[C@H]1CCN(C1)[*:1]
N#Cc1cccnc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] N#Cc1cccnc1N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
COC(=O)CSc1cc(Cl)ccc1Cl COC(=O)[*:1] Clc1ccc(Cl)c(c1)SC[*:1]
COCCn1/c(=N/C(=O)c2cn(C)nc2OC)sc2cccc(F)c21 COc1nn(C)cc1[*:1] COCCn1/c(=N/C(=O)[*:1])sc2cccc(F)c21
COCCn1/c(=N/C(=O)c2cn(C)nc2OC)sc2cccc(F)c21 COC[*:1] COc1nn(C)cc1C(=O)/N=c1\sc2cccc(F)c2n1C[*:1]
COCCn1/c(=N/C(=O)c2cn(C)nc2OC)sc2cccc(F)c21 COCC[*:1] COc1nn(C)cc1C(=O)/N=c1\sc2cccc(F)c2n1[*:1]
C[NH2+][C@@H](CCOC)COC(C)C COC[*:1] C[NH2+][C@H](COC(C)C)C[*:1]
C[NH2+][C@@H](CCOC)COC(C)C COCC[*:1] C[NH2+][C@@H](COC(C)C)[*:1]
C[NH2+][C@@H](CCOC)COC(C)C CC(C)[*:1] C[NH2+][C@@H](CCOC)CO[*:1]
C[NH2+][C@@H](CCOC)COC(C)C CC(C)O[*:1] C[NH2+][C@@H](CCOC)C[*:1]
C[C@@H]([NH2+]CCC(=O)NC1CC1)c1ccc(F)cc1Cl O=C(NC1CC1)[*:1] C[C@@H]([NH2+]CC[*:1])c1ccc(F)cc1Cl
C[C@@H]([NH2+]CCC(=O)NC1CC1)c1ccc(F)cc1Cl C1CC1[*:1] C[C@@H]([NH2+]CCC(=O)N[*:1])c1ccc(F)cc1Cl
CCOC(=O)NC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc(C)c1C c1csc(c1)[*:1] CCOC(=O)NC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)[*:1])sc(C)c1C
CCOC(=O)NC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc(C)c1C CCOC(=O)NC(=O)[*:1] Cc1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c(c1C)[*:1]
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1nnc(s1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(Cl)cc1
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)s1 Cc1nnc(s1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(Cl)cc1)[*:1])c1ccc(Cl)cc1
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)s1 O=C(c1ccc(Cl)cc1)[*:1] Cc1nnc(s1)N1C(=O)C([O-])=C([C@@H]1c1ccc(Cl)cc1)[*:1]
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1[*:1]
Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccncc3)n2)nc1 c1cc(ccn1)C[*:1] Cc1ccc(nc1)Nc1nccc(n1)[C@@H]1CCCN1[*:1]
Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccncc3)n2)nc1 Cc1ccc(nc1)N[*:1] c1cc(ccn1)CN1CCC[C@H]1c1ccnc(n1)[*:1]
Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccncc3)n2)nc1 c1cc(ccn1)[*:1] Cc1ccc(nc1)Nc1nccc(n1)[C@@H]1CCCN1C[*:1]
Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccncc3)n2)nc1 Cc1ccc(nc1)[*:1] c1cc(ccn1)CN1CCC[C@H]1c1ccnc(n1)N[*:1]
CC[C@@H](CCO)CNC(=O)c1ccnc(F)c1 OCC[*:1] CC[C@@H](CNC(=O)c1ccnc(F)c1)[*:1]
CC(=O)O[C@@H]1[C@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@]31C)OC(=O)[C@@H]2C CC(=O)O[*:1] C[C@@H]1C[C@H]2OC(=O)[C@H](C)[C@H]2[C@H]([C@]2(C)C(=O)C=C[C@@H]12)[*:1]
Cc1ccc(NC(=O)N2CCN(c3ccc(O)cc3)CC2)s1 Cc1ccc(s1)[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(O)cc1
Cc1ccc(NC(=O)N2CCN(c3ccc(O)cc3)CC2)s1 Oc1ccc(cc1)[*:1] Cc1ccc(NC(=O)N2CCN(CC2)[*:1])s1
CC(C)[C@H](C)NC(=O)N[C@H](CO)c1ccc(Cl)cc1 CC(C)[C@H](C)[*:1] O=C(N[C@H](CO)c1ccc(Cl)cc1)N[*:1]
CC(C)[C@H](C)NC(=O)N[C@H](CO)c1ccc(Cl)cc1 CC(C)[*:1] C[C@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C CCS(=O)(=O)[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H](C)C[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C CC(C)[*:1] CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@H]1[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C CCS(=O)(=O)C[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H](C)[*:1]
CC(C)CCC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl CC(C)[*:1] N#C[C@@H](C(=O)CC[*:1])c1ncc(cc1Cl)C(F)(F)F
CC(C)CCC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] CC(C)CCC(=O)[C@H](C#N)c1ncc(cc1Cl)[*:1]
CC(C)CCC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl CC(C)C[*:1] N#C[C@@H](C(=O)C[*:1])c1ncc(cc1Cl)C(F)(F)F
CC(C)CCC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl CC(C)CCC(=O)[*:1] N#C[C@H](c1ncc(cc1Cl)C(F)(F)F)[*:1]
CC(C)CCC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl CC(C)CC[*:1] N#C[C@@H](C(=O)[*:1])c1ncc(cc1Cl)C(F)(F)F
COCCc1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc1 COC[*:1] N#Cc1ccc(Oc2ccc(cc2)C[*:1])c(c1)[N+](=O)[O-]
COCCc1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc1 COCC[*:1] N#Cc1ccc(Oc2ccc(cc2)[*:1])c(c1)[N+](=O)[O-]
COCCc1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COCCc1ccc(cc1)Oc1ccc(C#N)cc1[*:1]
Cc1n[nH]c([C@H]2CN(CCCn3c(=O)oc4ccccc43)CCO2)n1 Cc1n[nH]c(n1)[*:1] O=c1oc2ccccc2n1CCCN1CCO[C@H](C1)[*:1]
CCCc1cc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)N[C@@H]1CCC[C@@H](C1)C(F)(F)F)[*:1]
CCCc1cc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)n(C)n1 FC(F)(F)[*:1] CCCc1cc(NC(=O)N[C@@H]2CCC[C@H](C2)[*:1])n(C)n1
Cc1ccc2c(c1)[C@@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 c1ccc(cc1)[*:1] Cc1ccc2NC(=O)[C@]3(N[C@H]([C@H]4C(=O)N(CC[*:1])C(=O)[C@H]43)[C@@H](C)O)c2c1
Cc1ccc2c(c1)[C@@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 c1ccc(cc1)C[*:1] Cc1ccc2NC(=O)[C@]3(N[C@H]([C@H]4C(=O)N(C[*:1])C(=O)[C@H]43)[C@@H](C)O)c2c1
Cc1ccc2c(c1)[C@@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 C[C@@H](O)[*:1] Cc1ccc2NC(=O)[C@]3(N[C@@H]([C@H]4C(=O)N(CCc5ccccc5)C(=O)[C@H]43)[*:1])c2c1
Cc1ccc2c(c1)[C@@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 c1ccc(cc1)CC[*:1] Cc1ccc2NC(=O)[C@]3(N[C@H]([C@H]4C(=O)N(C(=O)[C@H]43)[*:1])[C@@H](C)O)c2c1
Cc1ccccc1NC(=O)CCn1c(=O)cc(C)c2ccccc21 Cc1ccccc1[*:1] Cc1cc(=O)n(CCC(=O)N[*:1])c2ccccc12
C[C@@H](CNC(=O)c1ccc(Cl)c(-n2cnc3cccnc32)c1)c1ccccc1 C[C@@H](C[*:1])c1ccccc1 O=C(N[*:1])c1ccc(Cl)c(c1)-n1cnc2cccnc21
C[C@@H](CNC(=O)c1ccc(Cl)c(-n2cnc3cccnc32)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1ccc(Cl)c(c1)-n1cnc2cccnc21)[*:1]
C[C@@H](CNC(=O)c1ccc(Cl)c(-n2cnc3cccnc32)c1)c1ccccc1 c1cnc2c(c1)ncn2[*:1] C[C@@H](CNC(=O)c1ccc(Cl)c(c1)[*:1])c1ccccc1
C[C@@H](CNC(=O)c1ccc(Cl)c(-n2cnc3cccnc32)c1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NC[*:1])c1ccc(Cl)c(c1)-n1cnc2cccnc21
CCC[NH2+][C@H](c1ccc(OC)c(F)c1)c1cscc1C CCC[*:1] COc1ccc(cc1F)[C@@H]([NH2+][*:1])c1cscc1C
CCC[NH2+][C@H](c1ccc(OC)c(F)c1)c1cscc1C Cc1cscc1[*:1] CCC[NH2+][C@H](c1ccc(OC)c(F)c1)[*:1]
C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 O=[N+]([O-])[*:1] C[C@@H]1CN(CCO1)C(=O)Cn1cc(cn1)[*:1]
COCCCC(=O)Nc1ccc2c(c1)CCN2C(C)=O COCC[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)C[*:1]
COCCCC(=O)Nc1ccc2c(c1)CCN2C(C)=O COCCC[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)[*:1]
COCCCC(=O)Nc1ccc2c(c1)CCN2C(C)=O COC[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)CC[*:1]
CCN(CCC#N)C(=O)Cc1ccc(OC(F)(F)F)cc1 N#CCC[*:1] CCN(C(=O)Cc1ccc(cc1)OC(F)(F)F)[*:1]
CCN(CCC#N)C(=O)Cc1ccc(OC(F)(F)F)cc1 N#CC[*:1] CCN(C[*:1])C(=O)Cc1ccc(cc1)OC(F)(F)F
CCN(CCC#N)C(=O)Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CCN(CCC#N)C(=O)Cc1ccc(cc1)[*:1]
CCN(CCC#N)C(=O)Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CCN(CCC#N)C(=O)Cc1ccc(cc1)O[*:1]
COc1ccc([C@H]2CCCN2C(=O)Cc2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)C[*:1]
COc1ccc([C@H]2CCCN2C(=O)Cc2cccs2)cc1 c1csc(c1)C[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)[*:1]
COc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3cccc4cccnc34)c2C)cc1 c1cnc2c(cccc2c1)[*:1] COc1ccc(cc1)-n1ncc(c1C)[C@@H](C)NS(=O)(=O)[*:1]
COc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3cccc4cccnc34)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)NS(=O)(=O)c1cccc2cccnc12
COc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1
COc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1S(N)(=O)=O Fc1ccc(cc1)[*:1] COc1ccc(cc1S(N)(=O)=O)CCNC(=O)[C@@H]1C[C@H]1[*:1]
Cc1ccc([C@H](C)N2CC(=O)N[C@H](C3CC3)C2=O)cc1F C1CC1[*:1] Cc1ccc(cc1F)[C@H](C)N1CC(=O)N[C@H](C1=O)[*:1]
COc1cc(C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)NCc2ccccc2)c(cc1OC)[*:1]
COc1cc(C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC c1ccc(cc1)C[*:1] COc1cc(C(=O)N[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC c1ccc(cc1)[*:1] COc1cc(C(=O)NC[*:1])c(cc1OC)[N+](=O)[O-]
CCOC(=O)[C@@H](C)CNC(=O)Nc1sc2ccccc2c1Cl CCOC(=O)[C@@H](C)[*:1] O=C(NC[*:1])Nc1sc2ccccc2c1Cl
CCOC(=O)[C@@H](C)CNC(=O)Nc1sc2ccccc2c1Cl CCOC(=O)[*:1] C[C@@H](CNC(=O)Nc1sc2ccccc2c1Cl)[*:1]
C[C@@H]([NH3+])c1ccn(CC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] C[C@@H]([NH3+])c1ccn(c1)CC[*:1]
O=C(COc1ccc(Br)cc1/C=C1\SC(=O)NC1=O)Nc1ccc2ccccc2c1 O=C1NC(=O)C(=C[*:1])S1 O=C(COc1ccc(Br)cc1[*:1])Nc1ccc2ccccc2c1
O=C(COc1ccc(Br)cc1/C=C1\SC(=O)NC1=O)Nc1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] O=C(COc1ccc(Br)cc1/C=C1\SC(=O)NC1=O)N[*:1]
Cc1ccc(NC(=S)NNC(=O)CCC2CCCC2)c(C)c1 C1CCC(C1)[*:1] Cc1ccc(NC(=S)NNC(=O)CC[*:1])c(C)c1
Cc1ccc(NC(=S)NNC(=O)CCC2CCCC2)c(C)c1 C1CCC(C1)C[*:1] Cc1ccc(NC(=S)NNC(=O)C[*:1])c(C)c1
Cc1ccc(NC(=S)NNC(=O)CCC2CCCC2)c(C)c1 C1CCC(C1)CC[*:1] Cc1ccc(NC(=S)NNC(=O)[*:1])c(C)c1
CCN(Cc1cccc(C)n1)c1[nH+]c(C)cc(C)c1CO Cc1cccc(n1)[*:1] CCN(C[*:1])c1[nH+]c(C)cc(C)c1CO
CC(C)[C@H]1CSC(NCc2ccccc2Cl)=[NH+]1 CC(C)[*:1] Clc1ccccc1CNC1=[NH+][C@H](CS1)[*:1]
CCOC(=O)[C@]12C(=C(c3ccccc3)O[C@@H]3C=CCC[C@H]31)C(=O)C(=O)N2c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@@]12C(C(=O)C(=O)N1[*:1])=C(O[C@@H]1C=CCC[C@H]12)c1ccccc1
CCOC(=O)[C@]12C(=C(c3ccccc3)O[C@@H]3C=CCC[C@H]31)C(=O)C(=O)N2c1ccccc1 CCOC(=O)[*:1] O=C1C(=O)N(c2ccccc2)[C@@]2(C1=C(O[C@@H]1C=CCC[C@H]12)c1ccccc1)[*:1]
CCOC(=O)[C@]12C(=C(c3ccccc3)O[C@@H]3C=CCC[C@H]31)C(=O)C(=O)N2c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@@]12C(C(=O)C(=O)N1c1ccccc1)=C(O[C@@H]1C=CCC[C@H]12)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)[N-]c1nc2ccccc2nc1N[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2)cc1 c1ccc(cc1)N[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)[N-]c1nc2ccccc2nc1[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2)cc1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1)[*:1]
COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)cc1F CC(C)C[*:1] COc1ccc(cc1F)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[*:1]
COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CC[*:1]
COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)cc1F CC(C)CC[*:1] COc1ccc(cc1F)NC(=O)C(=O)N[C@@H]1CCC[C@H]1[*:1]
CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(F)cc1 CC(C)[*:1] C[C@]1(NC(=O)N(CC(=O)N[C@@H](c2ccc(F)cc2)[*:1])C1=O)C1CC1
CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CN1C(=O)N[C@](C)(C1=O)C1CC1)[*:1]
CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(F)cc1 C1CC1[*:1] CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1])c1ccc(F)cc1
Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccccc1 Cc1cc(I)ccc1[*:1] O=C(CCC(=O)N[*:1])N/N=C/c1ccccc1
Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(I)ccc1NC(=O)CCC(=O)NN=C[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)CCSc2ccccn2)C1 c1ccc(nc1)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)CCS[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)CCSc2ccccn2)C1 c1ccc(nc1)S[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)CC[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)CCSc2ccccn2)C1 CC(=O)N[*:1] O=C(CCSc1ccccn1)N1CCC[C@H](C1)[*:1]
CCCC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([S@](C)=O)cc2)C1 CCC[*:1] C[S@](=O)c1ccc(cc1)NC(=O)N1CCC[C@H](CNC(=O)[*:1])C1
CCCC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([S@](C)=O)cc2)C1 CCCC(=O)NC[*:1] C[S@](=O)c1ccc(cc1)NC(=O)N1CCC[C@@H](C1)[*:1]
CCCC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([S@](C)=O)cc2)C1 CCCC(=O)N[*:1] C[S@](=O)c1ccc(cc1)NC(=O)N1CCC[C@@H](C1)C[*:1]
CCCC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc([S@](C)=O)cc2)C1 C[S@](=O)[*:1] CCCC(=O)NC[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
CN(C[C@@H]1CN(C[C@](C)(O)c2ccccc2)CCO1)c1cccn[nH+]1 c1ccc(cc1)[*:1] CN(C[C@@H]1CN(CCO1)C[C@](C)(O)[*:1])c1cccn[nH+]1
Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc(Cl)c2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@H](Nc1cccc(Cl)c1)C(=O)[*:1])c1ccco1
Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)[C@H](NC(=O)c1ccco1)N[*:1]
Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc(Cl)c2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C(=O)[C@H](NC(=O)[*:1])Nc1cccc(Cl)c1
Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc(Cl)c2)cc1 Clc1cccc(c1)N[*:1] Cc1ccc(cc1)C(=O)[C@H](NC(=O)c1ccco1)[*:1]
Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc(Cl)c2)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)C(=O)[C@H](Nc1cccc(Cl)c1)[*:1]
CCOC(=O)[C@]1([NH2+]C)CC[C@@H](SCc2ccccc2)C1 c1ccc(cc1)[*:1] CCOC(=O)[C@@]1(CC[C@H](C1)SC[*:1])[NH2+]C
CCOC(=O)[C@]1([NH2+]C)CC[C@@H](SCc2ccccc2)C1 CCOC(=O)[*:1] C[NH2+][C@@]1(CC[C@H](C1)SCc1ccccc1)[*:1]
COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2cncc(F)c2)cc1 Fc1cncc(c1)[*:1] COc1ccc(cc1)C[C@@H](C)C[NH2+][C@H](C)[*:1]
C[C@@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] C[C@@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1ccc(cc1)[*:1]
CC(=O)N1CCN(C(=O)CN2CCN(c3cccc(Cl)c3)C2=O)CC1 Clc1cccc(c1)[*:1] CC(=O)N1CCN(CC1)C(=O)CN1CCN(C1=O)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(OC)cc1OC)CC(=O)N2 C=CC[*:1] COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc([nH]c(=O)c32)S[*:1])c(c1)OC
C=CCSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(OC)cc1OC)CC(=O)N2 C=CCS[*:1] COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc([nH]c(=O)c32)[*:1])c(c1)OC
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(CO)CC2)n1 CC(C)(C)[*:1] N#Cc1cn(nc1NC(=O)C(=O)N1CCC(CO)CC1)[*:1]
O=C([O-])c1cn(C2CN(CC(F)(F)F)C2)nn1 O=C([O-])[*:1] FC(F)(F)CN1CC(C1)n1cc(nn1)[*:1]
O=C([O-])c1cn(C2CN(CC(F)(F)F)C2)nn1 FC(F)(F)[*:1] O=C([O-])c1cn(nn1)C1CN(C1)C[*:1]
O=C([O-])c1cn(C2CN(CC(F)(F)F)C2)nn1 FC(F)(F)C[*:1] O=C([O-])c1cn(nn1)C1CN(C1)[*:1]
Clc1cnc(N2CCC(OCCN3CCOCC3)CC2)nc1 Clc1cnc(nc1)[*:1] C1CN(CCO1)CCOC1CCN(CC1)[*:1]
Clc1cnc(N2CCC(OCCN3CCOCC3)CC2)nc1 C1CN(CCO1)C[*:1] Clc1cnc(nc1)N1CCC(CC1)OC[*:1]
Clc1cnc(N2CCC(OCCN3CCOCC3)CC2)nc1 C1CN(CCO1)[*:1] Clc1cnc(nc1)N1CCC(CC1)OCC[*:1]
N#CCC1(CSc2cc3ccccc3[nH]2)CC1 N#CC[*:1] c1ccc2[nH]c(cc2c1)SCC1(CC1)[*:1]
CCCC(CCC)(c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] CCCC(CCC)(N1CCOCC1)[*:1]
CCCC(CCC)(c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] CCCC(CCC)(c1ccccc1)[*:1]
CCCC(CCC)(c1ccccc1)N1CCOCC1 CCC[*:1] CCCC(c1ccccc1)(N1CCOCC1)[*:1]
Cc1cccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c1 O=C(C[*:1])N1CCCC1 Cc1cccc(c1)C(=O)Nc1cccc(c1)O[*:1]
Cc1cccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)C(=O)Nc1cccc(c1)OC[*:1]
Cc1cccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c1 Cc1cccc(c1)[*:1] O=C(COc1cccc(c1)NC(=O)[*:1])N1CCCC1
Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)cc2)co1 Cc1nc(co1)[*:1] O=S(=O)(Nc1ccc(cc1)C[NH+]1CCCCC1)c1ccc(cc1)[*:1]
Cc1cc(OCC(=O)Nc2c(C)cccc2C)nc(N2CCCCCC2)n1 C1CCCN(CC1)[*:1] Cc1cc(nc(n1)[*:1])OCC(=O)Nc1c(C)cccc1C
Cc1cc(OCC(=O)Nc2c(C)cccc2C)nc(N2CCCCCC2)n1 Cc1cccc(C)c1[*:1] Cc1cc(nc(n1)N1CCCCCC1)OCC(=O)N[*:1]
Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3ccc4c(c3)OCO4)n2)n1 c1cc2OCOc2cc1[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CCNC(=O)[*:1])n1
Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3ccc4c(c3)OCO4)n2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])c1ccc2OCOc2c1
O=C(CC[NH2+][C@H](c1ccccc1)C1CCC1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CC[NH2+][C@H](C1CCC1)[*:1])N1CCOCC1
O=C(CC[NH2+][C@H](c1ccccc1)C1CCC1)N1CCOCC1 C1CC(C1)[*:1] O=C(CC[NH2+][C@H](c1ccccc1)[*:1])N1CCOCC1
O=C([O-])c1cccn1C[C@@H]1CN2CCC[C@@H]2CO1 O=C([O-])[*:1] c1cc(n(c1)C[C@@H]1CN2CCC[C@@H]2CO1)[*:1]
O=C(CCn1ncc(=O)c2ccccc21)N1CCc2sccc2[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(CCn1ncc(=O)c2ccccc21)N1CCc2sccc2[C@@H]1[*:1]
COc1ccc2c(c1)CN(C(=O)c1ccc(NC(C)=O)cc1)CC2 CC(=O)N[*:1] COc1ccc2CCN(Cc2c1)C(=O)c1ccc(cc1)[*:1]
C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 C=CC[*:1] C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)N[*:1]
COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CCn1c(C)cc2OC(N)=C(C#N)[C@H](c2c1=O)[*:1]
COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 COc1ccc(cc1)[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c3cccs3)c2c(=O)n1CC[*:1]
COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 COc1ccc(cc1)C[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c3cccs3)c2c(=O)n1C[*:1]
COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 COc1ccc(cc1)CC[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c3cccs3)c2c(=O)n1[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCSC(C)(C)C1 CC(C)(C)[*:1] CC1(C)CN(CCS1)C(=O)[C@H]1CCCN1C(=O)O[*:1]
O=C(CC/C=C/c1ccccc1)N[C@@H]1CCN(c2ccccc2F)C1=O c1ccc(cc1)[*:1] O=C(CCC=C[*:1])N[C@@H]1CCN(C1=O)c1ccccc1F
O=C(CC/C=C/c1ccccc1)N[C@@H]1CCN(c2ccccc2F)C1=O C(=C[*:1])c1ccccc1 O=C(CC[*:1])N[C@@H]1CCN(C1=O)c1ccccc1F
O=C(CC/C=C/c1ccccc1)N[C@@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] O=C(CC/C=C/c1ccccc1)N[C@@H]1CCN(C1=O)[*:1]
CCCn1nc(-c2ccc(C)s2)ccc1=O CCC[*:1] Cc1ccc(s1)-c1ccc(=O)n(n1)[*:1]
C[C@@H](CNC(=O)N(C)[C@H](C)c1ccc(F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)N(C)[C@H](C)c1ccc(F)cc1)[*:1]
C[C@@H](CNC(=O)N(C)[C@H](C)c1ccc(F)cc1)N1CCOCC1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N(C)[C@H](C)[*:1])N1CCOCC1
O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc2[nH]c(=O)[nH]c2c1 c1ccc(cc1)[*:1] O=C(CSc1nc(cs1)[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
O=C(NC1CCCC1)c1ccc(NC(=O)c2cccc3ccoc23)cc1 C1CCC(C1)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1cccc2ccoc12
O=C(NC1CCCC1)c1ccc(NC(=O)c2cccc3ccoc23)cc1 O=C(NC1CCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc2ccoc12
CC(=O)Nc1ccc(F)c(NC(=O)NC[C@@H](C)Cn2cccn2)c1 c1cnn(c1)[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)NC[C@@H](C)C[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)NC[C@@H](C)Cn2cccn2)c1 c1cnn(c1)C[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)NC[C@@H](C)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)NC[C@@H](C)Cn2cccn2)c1 CC(=O)N[*:1] C[C@H](CNC(=O)Nc1cc(ccc1F)[*:1])Cn1cccn1
Cc1[nH]c(C(=O)NC2CCCCCCC2)c(C)c1S(=O)(=O)N1CCCCCC1 C1CCCC(CCC1)[*:1] Cc1[nH]c(C(=O)N[*:1])c(C)c1S(=O)(=O)N1CCCCCC1
COc1cccc(/C(C)=N\NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 COc1cccc(c1)[*:1] CC(=NNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)[*:1]
COc1cccc(/C(C)=N\NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 Brc1cccc(c1)[*:1] COc1cccc(c1)/C(C)=N\NC(=O)CN(S(C)(=O)=O)[*:1]
O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)[C@@H]1CC12CCOCC2 C1CCC(C1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1O[*:1])[C@@H]1CC12CCOCC2
O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)[C@@H]1CC12CCOCC2 C1CCC(C1)O[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])[C@@H]1CC12CCOCC2
C[C@H]1CCC[C@@H](CNc2ccc(C(=O)NCCCO)cc2)C1 OCCC[*:1] C[C@H]1CCC[C@@H](CNc2ccc(cc2)C(=O)N[*:1])C1
C[C@H]1CCC[C@@H](CNc2ccc(C(=O)NCCCO)cc2)C1 OCC[*:1] C[C@H]1CCC[C@@H](CNc2ccc(cc2)C(=O)NC[*:1])C1
C[C@H]1CCC[C@@H](CNc2ccc(C(=O)NCCCO)cc2)C1 O=C(NCCCO)[*:1] C[C@H]1CCC[C@@H](CNc2ccc(cc2)[*:1])C1
CN1CCO[C@H](CN2CCC[C@@H](C[NH2+]C(C)(C)C)C2)C1 CC(C)(C)[*:1] CN1CCO[C@@H](C1)CN1CCC[C@@H](C[NH2+][*:1])C1
Cc1cc([C@@H](C)NC(=O)Cc2ccc(F)cc2F)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H](NC(=O)Cc1ccc(F)cc1F)[*:1]
Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccnn4C(C)C)C3)c(-c3ccncc3)c2c1 CC(C)n1nccc1[*:1] Cc1ccc2[nH]c(c(-c3ccncc3)c2c1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccnn4C(C)C)C3)c(-c3ccncc3)c2c1 CC(C)[*:1] Cc1ccc2[nH]c(c(-c3ccncc3)c2c1)[C@H]1CCCN(C1)C(=O)c1ccnn1[*:1]
Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccnn4C(C)C)C3)c(-c3ccncc3)c2c1 c1cc(ccn1)[*:1] Cc1ccc2[nH]c(c(c2c1)[*:1])[C@H]1CCCN(C1)C(=O)c1ccnn1C(C)C
COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O COC(=O)[*:1] COc1ccccc1/C=C1\Oc2cc(ccc2C1=O)O[C@H](C)[*:1]
COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O COC(=O)[C@@H](C)[*:1] COc1ccccc1/C=C1\Oc2cc(ccc2C1=O)O[*:1]
COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O COC(=O)[C@@H](C)O[*:1] COc1ccccc1/C=C1\Oc2cc(ccc2C1=O)[*:1]
COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O COc1ccccc1[*:1] COC(=O)[C@@H](C)Oc1ccc2C(=O)C(=C[*:1])Oc2c1
CC[C@@H](C)[NH2+]Cc1cnc(-c2ccsc2)s1 c1cc(cs1)[*:1] CC[C@@H](C)[NH2+]Cc1cnc(s1)[*:1]
O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)N2CCCC2)cs1 O=C(N1CCCC1)[*:1] O=C(Nc1cccc(Cl)c1)Nc1nc(cs1)[*:1]
O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)N2CCCC2)cs1 Clc1cccc(c1)[*:1] O=C(Nc1nc(cs1)C(=O)N1CCCC1)N[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)N1C[C@H]2CCC[C@@](O)(c3ccccc3F)[C@@H]2C1 Fc1ccccc1[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)N1C[C@H]2CCC[C@@](O)([C@@H]2C1)[*:1]
Cc1nn(C)cc1S(=O)(=O)Nc1cc(C(C)(C)C)on1 CC(C)(C)[*:1] Cc1nn(C)cc1S(=O)(=O)Nc1cc(on1)[*:1]
CC(C)(C)c1nc(COc2ccc(-n3cnnn3)cc2)no1 CC(C)(C)[*:1] c1cc(ccc1OCc1noc(n1)[*:1])-n1cnnn1
CC(C)(C)c1nc(COc2ccc(-n3cnnn3)cc2)no1 c1nnnn1[*:1] CC(C)(C)c1nc(COc2ccc(cc2)[*:1])no1
Cc1ccc(-n2nc(N3CCCN(S(=O)(=O)c4ccccc4)CC3)ccc2=O)cc1C Cc1ccc(cc1C)[*:1] O=c1ccc(nn1[*:1])N1CCCN(CC1)S(=O)(=O)c1ccccc1
Cc1ccc(-n2nc(N3CCCN(S(=O)(=O)c4ccccc4)CC3)ccc2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1nc(ccc1=O)N1CCCN(CC1)S(=O)(=O)[*:1]
CCC[NH2+][C@@H](CC)c1nnc(-c2sccc2CC)o1 CCC[*:1] CCc1ccsc1-c1nnc(o1)[C@H](CC)[NH2+][*:1]
Cc1cc(=O)oc2c3c(ccc12)OC[NH+](CCC(C)C)C3 CC(C)C[*:1] Cc1cc(=O)oc2c3C[NH+](COc3ccc12)C[*:1]
Cc1cc(=O)oc2c3c(ccc12)OC[NH+](CCC(C)C)C3 CC(C)CC[*:1] Cc1cc(=O)oc2c3C[NH+](COc3ccc12)[*:1]
Cc1cc(=O)oc2c3c(ccc12)OC[NH+](CCC(C)C)C3 CC(C)[*:1] Cc1cc(=O)oc2c3C[NH+](CC[*:1])COc3ccc12
COC(=O)Nc1ccc(CNS(=O)(=O)c2cc(C)cc(F)c2)cc1 Cc1cc(F)cc(c1)[*:1] COC(=O)Nc1ccc(cc1)CNS(=O)(=O)[*:1]
COC(=O)Nc1ccc(CNS(=O)(=O)c2cc(C)cc(F)c2)cc1 COC(=O)N[*:1] Cc1cc(F)cc(c1)S(=O)(=O)NCc1ccc(cc1)[*:1]
COc1ccc(CNC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 COc1ccc(cc1)C[*:1] O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)N[*:1]
COc1ccc(CNC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 COc1ccc(cc1)[*:1] O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NC[*:1]
COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)N[C@H](C)c1ccc(cc1)[*:1]
CCn1cc([C@H]2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)N(C)S(=O)(=O)N2)c(C)n1 CCn1cc(c(C)n1)[*:1] CN1[C@@H](C[C@@H](NS1(=O)=O)[*:1])C(=O)Nc1ccc(Cl)cc1Cl
CCn1cc([C@H]2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)N(C)S(=O)(=O)N2)c(C)n1 Clc1ccc(c(Cl)c1)[*:1] CCn1cc(c(C)n1)[C@H]1C[C@@H](C(=O)N[*:1])N(C)S(=O)(=O)N1
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCC(F)(F)F)C2)s1 Cc1ccc(s1)[*:1] O=C(OCC(F)(F)F)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCC(F)(F)F)C2)s1 FC(F)(F)C[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)O[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCC(F)(F)F)C2)s1 FC(F)(F)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)OC[*:1]
COC/C(=C/C(=O)OC)CC[C@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@]21C COC(=O)[*:1] COCC(=C[*:1])CC[C@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@]21C
COC/C(=C/C(=O)OC)CC[C@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@]21C COC[*:1] COC(=O)C=C(CC[C@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@]21C)[*:1]
Cn1nc([C@@H]2CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc([C@@H]2CCCN(C2)C(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])n(c1=O)[*:1]
Cn1nc([C@@H]2CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)n(-c2ccccc2)c1=O O=[N+]([O-])[*:1] Cn1nc([C@@H]2CCCN(C2)C(=O)c2ccc(Cl)c(c2)[*:1])n(-c2ccccc2)c1=O
Cn1nc([C@@H]2CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)n(-c2ccccc2)c1=O O=[N+]([O-])c1cc(ccc1Cl)[*:1] Cn1nc([C@@H]2CCCN(C2)C(=O)[*:1])n(-c2ccccc2)c1=O
Cc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2cccc3ccccc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](NC(=O)CSc1nnnn1[*:1])c1cccc2ccccc12
Cc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2cccc3ccccc23)c(C)c1 c1ccc2c(cccc2c1)[*:1] Cc1ccc(c(C)c1)-n1nnnc1SCC(=O)N[C@H](C)[*:1]
CCCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](CSc2ccccc2)C1 CCC[*:1] O=C([C@@H]1CCCCN1C(=O)[*:1])N1CC[C@@H](CSc2ccccc2)C1
CCCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)SC[*:1] CCCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](C1)[*:1]
CCCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)[*:1] CCCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](CS[*:1])C1
CCCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)S[*:1] CCCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](C1)C[*:1]
O=C(NCCCn1ncc2ccccc21)c1cc(-c2ccc(O)cc2)n[nH]1 Oc1ccc(cc1)[*:1] O=C(NCCCn1ncc2ccccc21)c1cc(n[nH]1)[*:1]
O=C(NCCCn1ncc2ccccc21)c1cc(-c2ccc(O)cc2)n[nH]1 c1ccc2c(c1)cnn2[*:1] O=C(NCCC[*:1])c1cc(n[nH]1)-c1ccc(O)cc1
Fc1ccc(-c2c(Cl)nc(-c3ccncn3)nc2Cl)cc1 c1cc(ncn1)[*:1] Fc1ccc(cc1)-c1c(Cl)nc(nc1Cl)[*:1]
Fc1ccc(-c2c(Cl)nc(-c3ccncn3)nc2Cl)cc1 Fc1ccc(cc1)[*:1] Clc1nc(nc(Cl)c1[*:1])-c1ccncn1
CCC[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)[NH+](C)C c1ccc(cc1)[*:1] CCC[C@H](C(=O)N[C@H]1CCCN(C[*:1])C1=O)[NH+](C)C
CCC[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)[NH+](C)C c1ccc(cc1)C[*:1] CCC[C@H](C(=O)N[C@H]1CCCN(C1=O)[*:1])[NH+](C)C
CCC[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)[NH+](C)C CCC[*:1] C[NH+](C)[C@@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3cnccn3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=S(=O)(CCN1CCN(CC1)c1cnccn1)[*:1]
Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3cnccn3)CC2)c1 c1cnc(cn1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)CCN1CCN(CC1)[*:1]
Cn1ncc(C(=O)[O-])c1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1ncc(C(=O)[O-])c1C(=O)NCC1CC[NH+](CC1)C[*:1]
Cn1ncc(C(=O)[O-])c1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 O=C([O-])[*:1] Cn1ncc(c1C(=O)NCC1CC[NH+](CC1)Cc1ccccc1)[*:1]
Cn1ncc(C(=O)[O-])c1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cn1ncc(C(=O)[O-])c1C(=O)NCC1CC[NH+](CC1)[*:1]
CC[C@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 c1ccc(cc1)C[*:1] CC[C@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
CC[C@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 c1ccc(cc1)C[*:1] CC[C@H]1N[C@]2(C(=O)N(c3ccccc32)[*:1])[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12
CC[C@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 c1ccc(cc1)[*:1] CC[C@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@@H]12
CC[C@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 c1ccc(cc1)[*:1] CC[C@H]1N[C@]2(C(=O)N(C[*:1])c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 CCO[*:1] O=C1C[C@H](C(=O)Nc2cc(ccc2[*:1])S(=O)(=O)N2CCCCC2)c2ccc(F)cc2N1
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 O=S(=O)(N1CCCCC1)[*:1] CCOc1ccc(cc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)[*:1]
O=C(c1scnc1C1CC1)N1CCO[C@@H](c2ccsc2)C1 c1cc(cs1)[*:1] O=C(c1scnc1C1CC1)N1CCO[C@@H](C1)[*:1]
O=C(c1scnc1C1CC1)N1CCO[C@@H](c2ccsc2)C1 C1CC1[*:1] O=C(c1scnc1[*:1])N1CCO[C@H](C1)c1ccsc1
N#Cc1ccccc1CSc1nnc(NC(=O)/C=C/c2ccccc2)s1 C(=C[*:1])c1ccccc1 N#Cc1ccccc1CSc1nnc(NC(=O)[*:1])s1
N#Cc1ccccc1CSc1nnc(NC(=O)/C=C/c2ccccc2)s1 N#Cc1ccccc1[*:1] O=C(/C=C/c1ccccc1)Nc1nnc(SC[*:1])s1
N#Cc1ccccc1CSc1nnc(NC(=O)/C=C/c2ccccc2)s1 c1ccc(cc1)[*:1] N#Cc1ccccc1CSc1nnc(NC(=O)C=C[*:1])s1
CC1=C([C@@H]2C=C(c3ccsc3)N=N2)[C@H](N)C(=O)N=N1 c1cc(cs1)[*:1] CC1N=NC(=O)[C@@H](N)C=1[C@@H]1C=C(N=N1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H]1c1ccc(C(N)=O)s1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)N1CCC[C@@H]1c1ccc(s1)C(N)=O)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H]1c1ccc(C(N)=O)s1 NC(=O)c1ccc(s1)[*:1] Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H]1[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H]1c1ccc(C(N)=O)s1 NC(=O)[*:1] Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H]1c1ccc(s1)[*:1]
Cc1csc([C@@H](C)NC(=O)Cc2cn3ccsc3n2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)Cc1cn2ccsc2n1)[*:1]
COc1cccc(CC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)Nc1cnn(c1)C[*:1]
COc1cccc(CC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 Clc1ccc(cc1)C[*:1] COc1cccc(c1)CC(=O)Nc1cnn(c1)[*:1]
COc1cccc(CC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])Nc1cnn(c1)Cc1ccc(Cl)cc1
C#CCN(CC)C1CCC([NH3+])CC1 C#CC[*:1] CCN(C1CCC([NH3+])CC1)[*:1]
COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)cc1OCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1O[*:1])C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O
COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)cc1OCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1OC[*:1])C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O
COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)cc1OCc1ccc(C)cc1 Cc1ccc(cc1)CO[*:1] COc1ccc(cc1[*:1])C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O
Cc1c(NCc2ccccc2C#N)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NCc1ccccc1C#N
Clc1cccc(O[C@@H]2CCN(Cc3cnc(N4CCOCC4)nc3)C2)c1 Clc1cccc(c1)[*:1] c1nc(ncc1CN1CC[C@H](C1)O[*:1])N1CCOCC1
Clc1cccc(O[C@@H]2CCN(Cc3cnc(N4CCOCC4)nc3)C2)c1 Clc1cccc(c1)O[*:1] c1nc(ncc1CN1CC[C@H](C1)[*:1])N1CCOCC1
Clc1cccc(O[C@@H]2CCN(Cc3cnc(N4CCOCC4)nc3)C2)c1 C1CN(CCO1)[*:1] Clc1cccc(c1)O[C@@H]1CCN(Cc2cnc(nc2)[*:1])C1
CC[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)s1)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H]([NH2+]Cc1ccc(s1)-c1ccc(F)cc1)[*:1]
CC[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)s1)c1noc(C)n1 Fc1ccc(cc1)[*:1] CC[C@@H]([NH2+]Cc1ccc(s1)[*:1])c1noc(C)n1
COc1ccc(C(=O)OCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 COc1ccc(cc1)[*:1] O=C1c2ccc(cc2C(=O)N1CCOC(=O)[*:1])[N+](=O)[O-]
COc1ccc(C(=O)OCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C(=O)OCCN1C(=O)c2ccc(cc2C1=O)[*:1]
Cc1cc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)[nH]n1 Cc1cc([nH]n1)[*:1] NC(=O)[C@@H](CNC(=O)[*:1])Cc1ccc(F)cc1
Cc1cc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)[nH]n1 Fc1ccc(cc1)[*:1] Cc1cc([nH]n1)C(=O)NC[C@@H](C[*:1])C(N)=O
Cc1cc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)[nH]n1 NC(=O)[*:1] Cc1cc([nH]n1)C(=O)NC[C@@H](Cc1ccc(F)cc1)[*:1]
Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(NC(=O)c4ccco4)cc3)c2c1C C1CN(CCO1)[*:1] Cc1sc2nc(C[*:1])nc(Oc3ccc(cc3)NC(=O)c3ccco3)c2c1C
Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(NC(=O)c4ccco4)cc3)c2c1C O=C(N[*:1])c1ccco1 Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(cc3)[*:1])c2c1C
Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(NC(=O)c4ccco4)cc3)c2c1C c1coc(c1)[*:1] Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(cc3)NC(=O)[*:1])c2c1C
Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(NC(=O)c4ccco4)cc3)c2c1C C1CN(CCO1)C[*:1] Cc1sc2nc(nc(Oc3ccc(cc3)NC(=O)c3ccco3)c2c1C)[*:1]
Cc1cccc(Oc2ccc(NC(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)cc2)c1 Cc1cccc(c1)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(=O)n(n1)-c1ccc(F)cc1
Cc1cccc(Oc2ccc(NC(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)Oc1ccc(cc1)NC(=O)c1ccc(=O)n(n1)[*:1]
Cc1cccc(Oc2ccc(NC(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)cc2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccc(=O)n(n1)-c1ccc(F)cc1
NC1=C(Cl)[C@H](C(=O)[O-])N=[NH+]1 O=C([O-])[*:1] NC1[NH+]=N[C@@H](C=1Cl)[*:1]
C[C@H]1CC(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N[C@@H](c1ccc2OCCCc2c1)[*:1]
Cc1c(-c2ccnc3cc(C(=O)N[C@H]4CCOc5ccccc54)nn23)cnn1C Cc1c(cnn1C)[*:1] O=C(N[C@H]1CCOc2ccccc21)c1cc2nccc(n2n1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 C[C@H](O)C[*:1] C[C@H](NC(=O)N(C)[*:1])c1ccc(cc1)NC(=O)C1CC1
C[C@H](O)CN(C)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@H](O)CN(C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 C[C@H](O)[*:1] C[C@H](NC(=O)N(C)C[*:1])c1ccc(cc1)NC(=O)C1CC1
C[C@H](O)CN(C)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@H](O)CN(C)C(=O)N[C@@H](C)c1ccc(cc1)NC(=O)[*:1]
C#CCOc1cccc(NC(=O)NCc2n[nH]c(=S)n2C(C)C)c1 C#CC[*:1] CC(C)n1c(CNC(=O)Nc2cccc(c2)O[*:1])n[nH]c1=S
C#CCOc1cccc(NC(=O)NCc2n[nH]c(=S)n2C(C)C)c1 C#CCO[*:1] CC(C)n1c(CNC(=O)Nc2cccc(c2)[*:1])n[nH]c1=S
C#CCOc1cccc(NC(=O)NCc2n[nH]c(=S)n2C(C)C)c1 CC(C)[*:1] C#CCOc1cccc(c1)NC(=O)NCc1n[nH]c(=S)n1[*:1]
CCNC(=S)Nc1ccc(N2CCOCC2)c2nonc12 CCNC(=S)N[*:1] c1cc(c2nonc2c1N1CCOCC1)[*:1]
CCNC(=S)Nc1ccc(N2CCOCC2)c2nonc12 C1CN(CCO1)[*:1] CCNC(=S)Nc1ccc(c2nonc12)[*:1]
Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@H](C)C(=O)[O-] O=C([O-])[*:1] Cc1nc(sc1C(=O)N[C@H](C)[*:1])-c1cccc(F)c1
Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@H](C)C(=O)[O-] Fc1cccc(c1)[*:1] Cc1nc(sc1C(=O)N[C@H](C)C(=O)[O-])[*:1]
O=C(Oc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccco1 c1coc(c1)[*:1] O=C(Oc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN1C(=O)[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[S@@](=O)C(C)(C)C2)C1 CC(C)[*:1] CC1(C)CN(CC[S@]1=O)CC(=O)NC[C@H]1CN(CCO1)C[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[S@@](=O)C(C)(C)C2)C1 CC(C)C[*:1] CC1(C)CN(CC[S@]1=O)CC(=O)NC[C@H]1CN(CCO1)[*:1]
C[C@H]1CC(C(=O)NCc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 FC(F)(F)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1ccc(cc1)[*:1]
CCCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CCCc1cc(nc(n1)[*:1])NC[C@@H]1CCC[NH2+]C1
CCCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)n1 CCC[*:1] c1cc(ccn1)-c1nc(cc(n1)[*:1])NC[C@@H]1CCC[NH2+]C1
CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] CCc1ccc(cc1)[C@@H]1CC(=O)Nc2c1c(C)nn2[*:1]
CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 CCc1ccc(cc1)[*:1] Cc1nn(-c2nc3ccccc3s2)c2NC(=O)C[C@H](c12)[*:1]
O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(c1cccnc1)N1CCC(CC1)CNC(=O)[*:1]
O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccc(Br)o1 c1cncc(c1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1ccc(Br)o1
C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1cccnc1 c1cncc(c1)[*:1] C[C@H](C[C@H]1CCCCC[NH2+]1)NC[*:1]
CC[NH+]1CCN(CCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 Fc1ccc(cc1)[*:1] CC[NH+]1CCN(CCC(=O)N2CCO[C@H](C2)[*:1])CC1
CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 CC(=O)N[*:1] O=S(=O)(c1ccc(cc1)[*:1])C(F)F
CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)[*:1]
CC[C@H](CCO)C[NH2+][C@@H](C)c1sccc1C OCC[*:1] CC[C@H](C[NH2+][C@@H](C)c1sccc1C)[*:1]
COCCSc1ccc(N)cn1 COC[*:1] Nc1ccc(nc1)SC[*:1]
COCCSc1ccc(N)cn1 COCC[*:1] Nc1ccc(nc1)S[*:1]
Cc1nc(CCNC(=O)N[C@@H](C)c2ccc(Cl)s2)sc1C Clc1ccc(s1)[*:1] Cc1nc(CCNC(=O)N[C@@H](C)[*:1])sc1C
Cc1nc(CCNC(=O)N[C@@H](C)c2ccc(Cl)s2)sc1C Cc1nc(sc1C)[*:1] C[C@H](NC(=O)NCC[*:1])c1ccc(Cl)s1
CN(C)C(=O)c1ccccc1NCC(=O)NC(=O)NC1CC1 C1CC1[*:1] CN(C)C(=O)c1ccccc1NCC(=O)NC(=O)N[*:1]
CN(C)C(=O)c1ccccc1NCC(=O)NC(=O)NC1CC1 CN(C)C(=O)[*:1] O=C(CNc1ccccc1[*:1])NC(=O)NC1CC1
COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1NC(C)=O Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)N[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(F)cc1F
COc1ccccc1[C@@H]1CCCN1C(=O)CCCCNC(N)=O NC(=O)NC[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)CCC[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)CCCCNC(N)=O NC(=O)NCC[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)CC[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)CCCCNC(N)=O NC(=O)NCCC[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)C[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)CCCCNC(N)=O NC(=O)N[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)CCCC[*:1]
C[C@H]1CN(C(=O)NCc2ccsc2)C[C@H](C)O1 c1cc(cs1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)NC[*:1]
CC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccc(C)c(F)c1 CC(=O)N[*:1] CC[C@@H]([NH2+][C@H](C)c1cccc(c1)[*:1])c1ccc(C)c(F)c1
CC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H]([NH2+][C@H](C)c1cccc(c1)NC(C)=O)[*:1]
C[C@@H](NC(=O)CCCC(=O)N(C)C)c1nc2ccccc2[nH]1 CN(C)C(=O)[*:1] C[C@@H](NC(=O)CCC[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)CCCC(=O)N(C)C)c1nc2ccccc2[nH]1 CN(C)C(=O)CC[*:1] C[C@@H](NC(=O)C[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)CCCC(=O)N(C)C)c1nc2ccccc2[nH]1 CN(C)C(=O)C[*:1] C[C@@H](NC(=O)CC[*:1])c1nc2ccccc2[nH]1
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 O=[N+]([O-])[*:1] CC[C@H](C)C(=O)Nc1cccc(c1)CNC(=O)c1cc(ccc1Cl)[*:1]
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 CC[C@H](C)C(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 C[C@@H]1CCCC[C@H]1[*:1] NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(c1)[*:1]
CCC[NH2+][C@H](C)c1cc(F)ccc1N1CCSCC1 C1CN(CCS1)[*:1] CCC[NH2+][C@H](C)c1cc(F)ccc1[*:1]
CCC[NH2+][C@H](C)c1cc(F)ccc1N1CCSCC1 CCC[*:1] C[C@@H]([NH2+][*:1])c1cc(F)ccc1N1CCSCC1
COC(=O)Nc1ccc2c(c1)CCC(=O)N2 COC(=O)N[*:1] O=C1CCc2cc(ccc2N1)[*:1]
CON(C)C(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 CON(C)C(=O)C[*:1] C1CCC[NH+](CC1)C[C@@H]1CCCN(C1)[*:1]
CON(C)C(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 CON(C)C(=O)[*:1] C1CCC[NH+](CC1)C[C@@H]1CCCN(C1)C[*:1]
Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)s1 Cc1ccc(C)n1[*:1] O=C(NCCCN1CCOCC1)[C@H]1CCCN(C1)c1nnc(s1)[*:1]
Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)s1 C1CN(CCO1)CC[*:1] Cc1ccc(C)n1-c1nnc(s1)N1CCC[C@@H](C1)C(=O)NC[*:1]
Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)s1 C1CN(CCO1)C[*:1] Cc1ccc(C)n1-c1nnc(s1)N1CCC[C@@H](C1)C(=O)NCC[*:1]
Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)s1 C(CN1CCOCC1)C[*:1] Cc1ccc(C)n1-c1nnc(s1)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)s1 C1CN(CCO1)[*:1] Cc1ccc(C)n1-c1nnc(s1)N1CCC[C@@H](C1)C(=O)NCCC[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ncnc3[nH]cnc23)C1 CS(=O)(=O)[*:1] c1nc(N[C@@H]2CCC[C@H](C2)[*:1])c2nc[nH]c2n1
COc1ccc(-c2cc3ccc4c(c3oc2=O)CN([C@@H]2CCS(=O)(=O)C2)CO4)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=c1oc2c3CN(COc3ccc2cc1[*:1])[C@@H]1CCS(=O)(=O)C1
CCCNC(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)CCc1nc2ccccc2[nH]1)N[*:1]
CCCNC(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 CCCNC(=O)N[*:1] c1ccc2[nH]c(CCc3ccc(cc3)[*:1])nc2c1
CCCO[C@H]1CCCN([C@@H]2CC[C@H]([NH3+])C2)C1 CCC[*:1] [NH3+][C@H]1CC[C@H](C1)N1CCC[C@@H](C1)O[*:1]
CCCO[C@H]1CCCN([C@@H]2CC[C@H]([NH3+])C2)C1 CCCO[*:1] [NH3+][C@H]1CC[C@H](C1)N1CCC[C@@H](C1)[*:1]
COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccc(F)cc1 O=C(NCc1ccc(F)cc1)[*:1] COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@@]1(C)[*:1]
COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccc(F)cc1 COc1ccccc1C[*:1] C[C@@]1(Cn2c(cc3ccsc32)C(=O)N1[*:1])C(=O)NCc1ccc(F)cc1
COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccc(F)cc1 COc1ccccc1[*:1] C[C@@]1(Cn2c(cc3ccsc32)C(=O)N1C[*:1])C(=O)NCc1ccc(F)cc1
COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)N[*:1]
COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NC[*:1]
CCc1n[nH]c(-c2ccccc2NC(=O)c2cc(C)n(C3CC3)c2C)n1 C1CC1[*:1] CCc1n[nH]c(n1)-c1ccccc1NC(=O)c1cc(C)n(c1C)[*:1]
CCc1n[nH]c(-c2ccccc2NC(=O)c2cc(C)n(C3CC3)c2C)n1 CCc1n[nH]c(n1)[*:1] Cc1cc(C(=O)Nc2ccccc2[*:1])c(C)n1C1CC1
C[C@@H](CNC(=O)N1CC(C)(C)C1(C)C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N1CC(C)(C)C1(C)C)c1nc(no1)[*:1]
CC1(C)CC(N(Cc2ccncc2)Cc2coc3ccccc3c2=O)CC(C)(C)[NH2+]1 c1cc(ccn1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)N(Cc1coc2ccccc2c1=O)C[*:1]
CC1(C)CC(N(Cc2ccncc2)Cc2coc3ccccc3c2=O)CC(C)(C)[NH2+]1 c1cc(ccn1)C[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)N(Cc1coc2ccccc2c1=O)[*:1]
Cc1nnc(Cn2ccc(C(=O)C(C)C)c2)o1 CC(C)[*:1] Cc1nnc(Cn2ccc(c2)C(=O)[*:1])o1
Cc1nnc(Cn2ccc(C(=O)C(C)C)c2)o1 CC(C)C(=O)[*:1] Cc1nnc(Cn2ccc(c2)[*:1])o1
C=CCO[C@@H](C)C(=O)N(Cc1ccco1)c1ccc(F)cc1F c1coc(c1)C[*:1] C=CCO[C@@H](C)C(=O)N(c1ccc(F)cc1F)[*:1]
C=CCO[C@@H](C)C(=O)N(Cc1ccco1)c1ccc(F)cc1F C=CCO[*:1] C[C@@H](C(=O)N(Cc1ccco1)c1ccc(F)cc1F)[*:1]
C=CCO[C@@H](C)C(=O)N(Cc1ccco1)c1ccc(F)cc1F C=CC[*:1] C[C@H](O[*:1])C(=O)N(Cc1ccco1)c1ccc(F)cc1F
C=CCO[C@@H](C)C(=O)N(Cc1ccco1)c1ccc(F)cc1F c1coc(c1)[*:1] C=CCO[C@@H](C)C(=O)N(C[*:1])c1ccc(F)cc1F
CC(/C=C/c1ccccc1)=N\NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C/C(C=C[*:1])=N\NC(=O)Nc1ccccc1
CC(/C=C/c1ccccc1)=N\NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(/C=C/c1ccccc1)=N\NC(=O)N[*:1]
C[C@@H]1CCC[C@H](NC(=O)c2nc[nH]n2)C1 c1nc(n[nH]1)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)[*:1]
CC(C)CCOc1ccc(NC(=O)c2nccnc2N)cc1 CC(C)C[*:1] Nc1nccnc1C(=O)Nc1ccc(cc1)OC[*:1]
CC(C)CCOc1ccc(NC(=O)c2nccnc2N)cc1 CC(C)CC[*:1] Nc1nccnc1C(=O)Nc1ccc(cc1)O[*:1]
CC(C)CCOc1ccc(NC(=O)c2nccnc2N)cc1 CC(C)[*:1] Nc1nccnc1C(=O)Nc1ccc(cc1)OCC[*:1]
CC(C)CCOc1ccc(NC(=O)c2nccnc2N)cc1 CC(C)CCO[*:1] Nc1nccnc1C(=O)Nc1ccc(cc1)[*:1]
CC(C)CCOc1ccc(NC(=O)c2nccnc2N)cc1 Nc1nccnc1[*:1] CC(C)CCOc1ccc(cc1)NC(=O)[*:1]
C[NH2+][C@@H]1CC[C@@H](n2ccnc2-c2cccs2)C1 c1csc(c1)[*:1] C[NH2+][C@@H]1CC[C@H](C1)n1ccnc1[*:1]
NC(=O)c1cccc(CC[NH2+]C2C3CC4CC(C3)CC2C4)c1 NC(=O)[*:1] c1cc(cc(c1)[*:1])CC[NH2+]C1C2CC3CC(C2)CC1C3
COc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)c(C)cc3s2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc2nc(sc2cc1C)N(Cc1cccnc1)C(=O)[*:1]
COc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)c(C)cc3s2)cc1OC c1cncc(c1)C[*:1] COc1ccc(cc1OC)C(=O)N(c1nc2cc(C)c(C)cc2s1)[*:1]
COc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)c(C)cc3s2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)C(=O)N(C[*:1])c1nc2cc(C)c(C)cc2s1
O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2 c1ccc(cc1)[*:1] O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1nc2N[C@@H](C[C@H](n2n1)[*:1])c1ccc(Cl)cc1
O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2 Clc1ccc(cc1)[*:1] O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1nc2N[C@H](C[C@H](c3ccccc3)n2n1)[*:1]
O=C(NCc1cccc(OCC(F)F)n1)N1CCc2ccccc21 FC(F)[*:1] O=C(NCc1cccc(n1)OC[*:1])N1CCc2ccccc21
O=C(NCc1cccc(OCC(F)F)n1)N1CCc2ccccc21 FC(F)CO[*:1] O=C(NCc1cccc(n1)[*:1])N1CCc2ccccc21
O=C(NCc1cccc(OCC(F)F)n1)N1CCc2ccccc21 FC(F)C[*:1] O=C(NCc1cccc(n1)O[*:1])N1CCc2ccccc21
CN(C)[C@H](C(=O)NCC1(C)COC1)c1cccc(F)c1 CC1(COC1)[*:1] CN(C)[C@H](C(=O)NC[*:1])c1cccc(F)c1
CN(C)[C@H](C(=O)NCC1(C)COC1)c1cccc(F)c1 CN(C)[*:1] CC1(CNC(=O)[C@H](c2cccc(F)c2)[*:1])COC1
CN(C)[C@H](C(=O)NCC1(C)COC1)c1cccc(F)c1 CC1(COC1)C[*:1] CN(C)[C@H](C(=O)N[*:1])c1cccc(F)c1
CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2OCc2ccccc2Cl)C1 Clc1ccccc1[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)c1ccccc1OC[*:1]
CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2OCc2ccccc2Cl)C1 Clc1ccccc1C[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)c1ccccc1O[*:1]
CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2OCc2ccccc2Cl)C1 Clc1ccccc1CO[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2OCc2ccccc2Cl)C1 CC(=O)N[*:1] O=C(c1ccccc1OCc1ccccc1Cl)N1CCC[C@@H](C1)[*:1]
CC(=O)c1c[nH]c(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 CC(=O)c1c[nH]c(c1)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)[*:1]
CC(=O)c1c[nH]c(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 CC(=O)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)c1cc(c[nH]1)[*:1]
CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccc(C)cc2)c2c(c1=O)CCCC2 Cc1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1ccc2OCCOc2c1)n1nc(c2CCCCc2c1=O)[*:1]
CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccc(C)cc2)c2c(c1=O)CCCC2 c1cc2OCCOc2cc1[*:1] CC[C@H](C(=O)N[*:1])n1nc(-c2ccc(C)cc2)c2CCCCc2c1=O
CC(=O)N1CCc2cc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CC(=O)N1CCc2cc(ccc21)Nc1ccc(cc1[N+](=O)[O-])[*:1]
CC(=O)N1CCc2cc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CC(=O)N1CCc2cc(ccc21)Nc1ccc(cc1[*:1])[N+](=O)[O-]
CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Cl)s2)C[C@@H](C)O1 Clc1ccc(s1)[*:1] CC[C@@H]1CN(C[C@@H](C)O1)C(=O)N[C@@H](C)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2=O)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1Cl)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1ccc(cc1Cl)[N+](=O)[O-])[C@@H]1CC(=O)N(C1)[*:1]
Cc1noc(C)c1N(C)C(=O)c1ncccc1C(F)(F)F Cc1noc(C)c1[*:1] CN(C(=O)c1ncccc1C(F)(F)F)[*:1]
Cc1noc(C)c1N(C)C(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] Cc1noc(C)c1N(C)C(=O)c1ncccc1[*:1]
Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCC[C@@H]1C(N)=O Clc1ccccc1[*:1] Cc1nc(sc1C(=O)N1CCC[C@@H]1C(N)=O)[*:1]
Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCC[C@@H]1C(N)=O NC(=O)[*:1] Cc1nc(sc1C(=O)N1CCC[C@H]1[*:1])-c1ccccc1Cl
O=C(NCc1cn2ccsc2n1)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCc1cn2ccsc2n1)Nc1ccc(cc1)[*:1]
C=CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] C=CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)[*:1]
C=CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C C=CC[*:1] Cc1ccc(cc1S(=O)(=O)N(c1ccccc1)[*:1])[N+](=O)[O-]
C=CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C c1ccc(cc1)[*:1] C=CCN(S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])[*:1]
CN(C(=O)CCNC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(C(=O)CCNC(=O)Cc1ccccc1)c1ccc(cc1)[*:1]
CN(C(=O)CCNC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] CN(C(=O)CCNC(=O)C[*:1])c1ccc(cc1)[N+](=O)[O-]
CN(C(=O)CCNC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] CN(C(=O)CCNC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC1(C)CCC[C@@H]1Nc1cccc(Cl)c1C(N)=S NC(=S)[*:1] CC1(C)CCC[C@@H]1Nc1cccc(Cl)c1[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)[C@H](C[NH3+])CC(C)C)c1 CC(C)C[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)[C@H](C[NH3+])[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)[C@H](C[NH3+])CC(C)C)c1 CC(C)[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)[C@H](C[NH3+])C[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)[C@H](C[NH3+])CC(C)C)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)[C@H](C[NH3+])CC(C)C)[*:1]
O=C(NC[C@@H]1CC=CCC1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] O=C(NC[C@@H]1CC=CCC1)N(C[*:1])C1CCC1
O=C(NC[C@@H]1CC=CCC1)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] O=C(NC[C@@H]1CC=CCC1)N(CCC(F)(F)F)[*:1]
O=C(NC[C@@H]1CC=CCC1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] O=C(NC[C@@H]1CC=CCC1)N(CC[*:1])C1CCC1
O=C(NC[C@@H]1CC=CCC1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] O=C(NC[C@@H]1CC=CCC1)N(C1CCC1)[*:1]
CC[C@H]([NH2+][C@H](CCO)C1CC1)c1ccccc1Br C1CC1[*:1] CC[C@H]([NH2+][C@H](CCO)[*:1])c1ccccc1Br
CC[C@H]([NH2+][C@H](CCO)C1CC1)c1ccccc1Br OCC[*:1] CC[C@H]([NH2+][C@H](C1CC1)[*:1])c1ccccc1Br
Cc1cnc(C(C)(C)NC(=O)C2=NN(C)C(=O)CC2)s1 Cc1cnc(s1)[*:1] CN1N=C(CCC1=O)C(=O)NC(C)(C)[*:1]
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)COc1ccc(C#N)cc1 Fc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)COc1ccc(C#N)cc1
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)COc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CO[*:1]
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)COc1ccc(C#N)cc1 Fc1ccccc1O[*:1] C[C@@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)[*:1]
CCC[NH2+][C@@H](Cc1nc2ccccc2s1)c1cnn(C)c1 CCC[*:1] Cn1cc(cn1)[C@H](Cc1nc2ccccc2s1)[NH2+][*:1]
CCC[NH2+][C@@H](Cc1nc2ccccc2s1)c1cnn(C)c1 Cn1cc(cn1)[*:1] CCC[NH2+][C@@H](Cc1nc2ccccc2s1)[*:1]
O=C(NC(=S)Nc1ccccn1)c1cc2ccccc2o1 c1ccc(nc1)[*:1] O=C(NC(=S)N[*:1])c1cc2ccccc2o1
CC(C)c1nsc(N(C)CC(C)(C)O)n1 CC(C)[*:1] CN(CC(C)(C)O)c1nc(ns1)[*:1]
CC(C)c1nsc(N(C)CC(C)(C)O)n1 CC(C)(O)[*:1] CC(C)c1nsc(n1)N(C)C[*:1]
CC(C)c1nsc(N(C)CC(C)(C)O)n1 CC(C)(O)C[*:1] CC(C)c1nsc(n1)N(C)[*:1]
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@]23CCc2ccccc23)cc1 CNS(=O)(=O)[*:1] C[C@H]([NH2+]C[C@@H]1C[C@@]12CCc1ccccc12)c1ccc(cc1)[*:1]
NC(=O)c1cccc(NC(=O)NCc2ccnc(OCC(F)F)c2)c1 FC(F)C[*:1] NC(=O)c1cccc(c1)NC(=O)NCc1ccnc(c1)O[*:1]
NC(=O)c1cccc(NC(=O)NCc2ccnc(OCC(F)F)c2)c1 FC(F)[*:1] NC(=O)c1cccc(c1)NC(=O)NCc1ccnc(c1)OC[*:1]
NC(=O)c1cccc(NC(=O)NCc2ccnc(OCC(F)F)c2)c1 NC(=O)[*:1] O=C(NCc1ccnc(c1)OCC(F)F)Nc1cccc(c1)[*:1]
NC(=O)c1cccc(NC(=O)NCc2ccnc(OCC(F)F)c2)c1 FC(F)CO[*:1] NC(=O)c1cccc(c1)NC(=O)NCc1ccnc(c1)[*:1]
CCCC[C@H](C(=O)OC)C(=O)c1cnn(C)c1 CCC[*:1] COC(=O)[C@@H](C[*:1])C(=O)c1cnn(C)c1
CCCC[C@H](C(=O)OC)C(=O)c1cnn(C)c1 CCCC[*:1] COC(=O)[C@H](C(=O)c1cnn(C)c1)[*:1]
CCCC[C@H](C(=O)OC)C(=O)c1cnn(C)c1 COC(=O)[*:1] CCCC[C@H](C(=O)c1cnn(C)c1)[*:1]
Cc1cc(C)c(C#N)c(N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)n1 C1CC1C[*:1] Cc1cc(C)c(C#N)c(n1)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
Cc1cc(C)c(C#N)c(N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)n1 C1CC1[*:1] Cc1cc(C)c(C#N)c(n1)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
Cc1nccn1C[C@@H](C)C(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 Cc1nccn1[*:1] C[C@H](C[*:1])C(=O)N1CCC[C@@H](C1)n1nc(ccc1=O)-c1cccs1
Cc1nccn1C[C@@H](C)C(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 c1csc(c1)[*:1] Cc1nccn1C[C@@H](C)C(=O)N1CCC[C@@H](C1)n1nc(ccc1=O)[*:1]
Cc1nccn1C[C@@H](C)C(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 Cc1nccn1C[*:1] C[C@@H](C(=O)N1CCC[C@@H](C1)n1nc(ccc1=O)-c1cccs1)[*:1]
COC(=O)c1ccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 COC(=O)[*:1] O=C(CSc1ncc(cc1Cl)C(F)(F)F)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 FC(F)(F)[*:1] COC(=O)c1ccc(cc1)NC(=O)CSc1ncc(cc1Cl)[*:1]
COc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])NC(=S)Nc1ccc(Cl)c(Cl)c1
COc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 Clc1ccc(cc1Cl)[*:1] COc1ccc(cc1)OCC(=O)NC(=S)N[*:1]
Cc1cc(N)c(C)c(S(=O)(=O)N[C@H](C)Cn2ccnc2)c1 c1cn(cn1)[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)N[C@H](C)C[*:1]
Cc1cc(N)c(C)c(S(=O)(=O)N[C@H](C)Cn2ccnc2)c1 c1cn(cn1)C[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)N[C@H](C)[*:1]
Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccsc3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccsc1
Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccsc3)CC2)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)CNC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccsc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1ccsc1
Cc1csc(NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 CC(C)C[*:1] Cc1csc(n1)NC(=O)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1csc(NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 Cc1csc(n1)[*:1] CC(C)C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[*:1]
Cc1csc(NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 CC(C)[*:1] Cc1csc(n1)NC(=O)[C@H](C[*:1])NC(=O)N[C@@H]1CCS(=O)(=O)C1
Cc1csc(NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 O=S1(=O)CC[C@H](C1)[*:1] Cc1csc(n1)NC(=O)[C@H](CC(C)C)NC(=O)N[*:1]
C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])C(=O)N[*:1]
C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])C(=O)NC[*:1]
C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])C(=O)NCc1ccccc1 O=[N+]([O-])[*:1] C[C@@H](Nc1nc2ccccn2c1[*:1])C(=O)NCc1ccccc1
COC(=O)N(C)CCCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 COC(=O)N(C)C[*:1] N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CC[*:1]
COC(=O)N(C)CCCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 COC(=O)N(C)CC[*:1] N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C[*:1]
COC(=O)N(C)CCCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 COC(=O)N(C)[*:1] N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCC[*:1]
COC(=O)N(C)CCCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)N(C)CCCC(=O)N1CCC[C@@H]1[C@H](C#N)[*:1]
Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn12 Cc1cccc(C)c1NC(=O)[*:1] Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SC[*:1])n2n1
Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn12 Cc1cccc(C)c1[*:1] Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCC(=O)N[*:1])n2n1
Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn12 Cc1n[nH]c(C)c1C[*:1] Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c2nc(C[*:1])nn12
Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn12 Cc1n[nH]c(C)c1[*:1] Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c2nc(CC[*:1])nn12
Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn12 Cc1n[nH]c(C)c1CC[*:1] Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c2nc(nn12)[*:1]
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(-c2ccc(=O)n(C/C(N)=N/O)n2)cc1 N/C(=N\O)[*:1] Cc1ccc(cc1)-c1ccc(=O)n(C[*:1])n1
Cc1ccc(-c2ccc(=O)n(C/C(N)=N/O)n2)cc1 N/C(C[*:1])=N\O Cc1ccc(cc1)-c1ccc(=O)n(n1)[*:1]
COc1ccncc1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 COc1ccncc1[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)N[*:1]
COc1ccncc1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccncc1NC(=O)[C@H]1CCC(=O)N1C[*:1]
COc1ccncc1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COc1ccncc1NC(=O)[C@H]1CCC(=O)N1[*:1]
COc1cccc(N2C[C@H](C(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2=O)c1 COc1cccc(c1)[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)NNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2sc3ccccc3c2Cl)cc1 CC(=O)N[*:1] N#C/C(=C\c1sc2ccccc2c1Cl)C(=O)Nc1ccc(cc1)[*:1]
COc1cc(CNC(=O)c2ccn(-c3ccc(F)cc3)n2)cc(Br)c1OC Fc1ccc(cc1)[*:1] COc1cc(cc(Br)c1OC)CNC(=O)c1ccn(n1)[*:1]
O=C1[C@H](N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](CCN1[*:1])N1CCN(CC1)[C@@H]1CS(=O)(=O)C[C@@H]1O
COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1cccc2cccnc12 COc1ccccc1[*:1] C[C@H](Sc1cccc2cccnc12)C(=O)N[C@H](C)[*:1]
Cc1ccc(CCCC(=O)NCCn2cnnc2C)s1 Cc1ccc(s1)[*:1] Cc1nncn1CCNC(=O)CCC[*:1]
Cc1ccc(CCCC(=O)NCCn2cnnc2C)s1 Cc1nncn1[*:1] Cc1ccc(CCCC(=O)NCC[*:1])s1
O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(C1)c1ccc(F)c(c1)[*:1]
O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 Clc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)c(c1)[N+](=O)[O-]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C2 FC(F)(F)C[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C2 FC(F)(F)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NS(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C2 O=C(NCC(F)(F)F)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NS(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(-n2nnnc2SCC(=O)c2ccc(O)cc2O)cc1 Oc1ccc(c(O)c1)[*:1] COc1ccc(cc1)-n1nnnc1SCC(=O)[*:1]
COc1ccc(-n2nnnc2SCC(=O)c2ccc(O)cc2O)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])c1ccc(O)cc1O
COc1ncccc1N(C)C(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] COc1ncccc1N(C)C(=O)c1cnc(s1)[*:1]
CC(C)[C@@H](CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)[NH+]1CCCCCC1 C1CC1[*:1] CC(C)[C@@H](CNC(=O)Nc1cccc(c1)-c1nnnn1[*:1])[NH+]1CCCCCC1
CC(C)[C@@H](CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)[NH+]1CCCCCC1 C1CC1n1nnnc1[*:1] CC(C)[C@@H](CNC(=O)Nc1cccc(c1)[*:1])[NH+]1CCCCCC1
CC(C)[C@@H](CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)[NH+]1CCCCCC1 CC(C)[*:1] O=C(NC[C@@H]([NH+]1CCCCCC1)[*:1])Nc1cccc(c1)-c1nnnn1C1CC1
CCc1nn(C)cc1C(=O)NC[C@@H]1CCCS1 C1CS[C@@H](C1)[*:1] CCc1nn(C)cc1C(=O)NC[*:1]
COCCCNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F CN(C)[*:1] COCCCNC(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
COCCCNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F COCC[*:1] CN(C)c1ccc(NC(=O)NC[*:1])c(c1)C(F)(F)F
COCCCNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F FC(F)(F)[*:1] COCCCNC(=O)Nc1ccc(cc1[*:1])N(C)C
COCCCNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F COCCC[*:1] CN(C)c1ccc(NC(=O)N[*:1])c(c1)C(F)(F)F
COCCCNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F COC[*:1] CN(C)c1ccc(NC(=O)NCC[*:1])c(c1)C(F)(F)F
CCCn1cc[nH+]c1C[C@@H](O)[C@@H]1CCc2ccccc2C1 CCC[*:1] O[C@H](Cc1[nH+]ccn1[*:1])[C@@H]1CCc2ccccc2C1
O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 c1ccc2c(cccc2c1)[*:1] O=C(Nc1ccc2OC3(CCCC3)Oc2c1)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(Cl)c1C#N CS(=O)(=O)C[*:1] C[C@H](N(C)S(=O)(=O)c1cccc(Cl)c1C#N)[*:1]
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(Cl)c1C#N CS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)S(=O)(=O)c1cccc(Cl)c1C#N
CCNS(=O)(=O)c1cc(C(N)=O)sc1C NC(=O)[*:1] CCNS(=O)(=O)c1cc(sc1C)[*:1]
Cc1cc(NC(=O)C(=O)N[C@@H](CO)CC(C)C)c2ncccc2c1 CC(C)C[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](CO)[*:1])c2ncccc2c1
Cc1cc(NC(=O)C(=O)N[C@@H](CO)CC(C)C)c2ncccc2c1 CC(C)[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](CO)C[*:1])c2ncccc2c1
Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)on1 Cc1cc(on1)[*:1] O=C(c1cc2CCCc2s1)N1CCC[C@@H]1[*:1]
C[C@@H](C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1)[NH+](C)C c1cncc(c1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)C(=O)N[*:1])[NH+](C)C
Cc1cc(C)n(C[C@H]2CCCN2c2ccc(C#N)cn2)n1 Cc1cc(C)n(n1)[*:1] N#Cc1ccc(nc1)N1CCC[C@@H]1C[*:1]
COCCCNC(=O)/C(C#N)=C/c1ccc(C#N)cc1 COCC[*:1] N#C/C(=C\c1ccc(C#N)cc1)C(=O)NC[*:1]
COCCCNC(=O)/C(C#N)=C/c1ccc(C#N)cc1 COCCC[*:1] N#C/C(=C\c1ccc(C#N)cc1)C(=O)N[*:1]
COCCCNC(=O)/C(C#N)=C/c1ccc(C#N)cc1 COC[*:1] N#C/C(=C\c1ccc(C#N)cc1)C(=O)NCC[*:1]
Cc1cn2c(/C=C/c3nccc(-c4cnn(C)c4)n3)c(C)nc2s1 Cn1cc(cn1)[*:1] Cc1cn2c(/C=C/c3nccc(n3)[*:1])c(C)nc2s1
CC1CCC(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1 c1coc(c1)[*:1] CC1CCC(CC1)NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
CC1CCC(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1 c1coc(c1)C[*:1] CC1CCC(CC1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC1CCC(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1 CC1CCC(CC1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
O=C(/C=C/c1nc2ccccc2s1)O[C@@H]1CCC[C@H]1n1cccn1 c1cnn(c1)[*:1] O=C(/C=C/c1nc2ccccc2s1)O[C@@H]1CCC[C@@H]1[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC(CC1)NC(=O)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 CC[C@@H](C)C[*:1] C[C@@H](NC(=O)N1CCC(CC1)NC(=O)c1ccccc1)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 CC[C@@H](C)[*:1] C[C@H](C[*:1])NC(=O)N1CCC(CC1)NC(=O)c1ccccc1
Cc1ccc(N(C[C@H]2C=c3ccc(C)cc3=[NH+]C2=O)C(=O)C(C)C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc2=C[C@H](CN(C(=O)C(C)C)[*:1])C(=O)[NH+]=c2c1
Cc1ccc(N(C[C@H]2C=c3ccc(C)cc3=[NH+]C2=O)C(=O)C(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(c(C)c1)N(C[C@H]1C=c2ccc(C)cc2=[NH+]C1=O)C(=O)[*:1]
CC(C)NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 CC(C)[*:1] O=C(N[*:1])[C@@H]1CS[C@H]2c3ccccc3C(=O)N21
CC(C)NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 CC(C)NC(=O)[*:1] O=C1c2ccccc2[C@@H]2SC[C@H](N12)[*:1]
CCS(=O)(=O)CCn1ccc(N[C@@H](C)c2cccc(Cl)c2)n1 CCS(=O)(=O)C[*:1] C[C@H](Nc1ccn(C[*:1])n1)c1cccc(Cl)c1
CCS(=O)(=O)CCn1ccc(N[C@@H](C)c2cccc(Cl)c2)n1 CCS(=O)(=O)[*:1] C[C@H](Nc1ccn(CC[*:1])n1)c1cccc(Cl)c1
CCS(=O)(=O)CCn1ccc(N[C@@H](C)c2cccc(Cl)c2)n1 CCS(=O)(=O)CC[*:1] C[C@H](Nc1ccn(n1)[*:1])c1cccc(Cl)c1
CCS(=O)(=O)CCn1ccc(N[C@@H](C)c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CCS(=O)(=O)CCn1ccc(n1)N[C@@H](C)[*:1]
Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1cccnc1NC(=O)[C@H]1CCCN(C1)C(=O)CCO[*:1]
Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 c1ccc(cc1)OCC[*:1] Cc1cccnc1NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 c1ccc(cc1)OC[*:1] Cc1cccnc1NC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 c1ccc(cc1)O[*:1] Cc1cccnc1NC(=O)[C@H]1CCCN(C1)C(=O)CC[*:1]
Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 Cc1cccnc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)CCOc1ccccc1
COc1ccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)cc1Cl COc1ccc(cc1Cl)N[*:1] CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)C1=C[*:1]
COc1ccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)cc1Cl C1CN(CCO1)CC[*:1] COc1ccc(cc1Cl)N/C=C1\C(=O)N(C(=O)C(C#N)=C1C)[*:1]
COc1ccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)cc1Cl COc1ccc(cc1Cl)[*:1] CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\N[*:1]
COc1ccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)cc1Cl C1CN(CCO1)[*:1] COc1ccc(cc1Cl)N/C=C1\C(=O)N(CC[*:1])C(=O)C(C#N)=C1C
COc1ccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)cc1Cl C1CN(CCO1)C[*:1] COc1ccc(cc1Cl)N/C=C1\C(=O)N(C[*:1])C(=O)C(C#N)=C1C
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)OC[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)O[*:1]
CC[C@@H](C)NC(=O)CCc1nc(-c2ccc(C)cc2)no1 CC[C@@H](C)[*:1] Cc1ccc(cc1)-c1noc(CCC(=O)N[*:1])n1
CC[C@@H](C)NC(=O)CCc1nc(-c2ccc(C)cc2)no1 Cc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)CCc1nc(no1)[*:1]
CC[C@@H](C)NC(=O)CCc1nc(-c2ccc(C)cc2)no1 CC[C@@H](C)NC(=O)[*:1] Cc1ccc(cc1)-c1noc(CC[*:1])n1
CCCCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 CCCCC(=O)N[*:1] O=C(C1CCCCC1)N1CCC(CC1)[*:1]
CCCCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] CCCCC(=O)NC1CCN(CC1)C(=O)[*:1]
CCCCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 CCC[*:1] O=C(C[*:1])NC1CCN(CC1)C(=O)C1CCCCC1
CCCCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 CCCC[*:1] O=C(C1CCCCC1)N1CCC(CC1)NC(=O)[*:1]
COCCNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 COCC[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)N[*:1]
COCCNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 COC[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)NC[*:1]
O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN1C(=O)NC2(CCCCC2)C1=O FC(F)(F)[*:1] O=C(CCNc1ccc(cc1[N+](=O)[O-])[*:1])NN1C(=O)NC2(CCCCC2)C1=O
O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN1C(=O)NC2(CCCCC2)C1=O O=[N+]([O-])[*:1] O=C(CCNc1ccc(cc1[*:1])C(F)(F)F)NN1C(=O)NC2(CCCCC2)C1=O
O=C(c1ccc(-c2ncon2)cc1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(c1ccc(cc1)-c1ncon1)N1CCOC[C@H]1[*:1]
O=C(c1ccc(-c2ncon2)cc1)N1CCOC[C@@H]1C1CC1 c1nc(no1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCOC[C@@H]1C1CC1
CC(C)N(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 CC(C)[*:1] N#Cc1cc(ccc1Cl)S(=O)(=O)N(C[C@H]1CCCCO1)[*:1]
CC(C)N(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 C1CC[C@H](C[*:1])OC1 CC(C)N(S(=O)(=O)c1ccc(Cl)c(C#N)c1)[*:1]
CC(C)N(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])S(=O)(=O)c1ccc(Cl)c(C#N)c1
Cc1ccccc1CS[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O Cc1ccccc1[*:1] O=c1[nH]c2c(CC[C@H]2SC[*:1])c(=O)n1C1CCCCC1
Cc1ccccc1CS[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O C1CCC(CC1)[*:1] Cc1ccccc1CS[C@@H]1CCc2c1[nH]c(=O)n(c2=O)[*:1]
Cc1ccccc1CS[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O Cc1ccccc1C[*:1] O=c1[nH]c2c(CC[C@H]2S[*:1])c(=O)n1C1CCCCC1
CC(C)[C@@H](CO)NC(=O)c1ccc2ncccc2c1 CC(C)[*:1] O=C(N[C@H](CO)[*:1])c1ccc2ncccc2c1
CC(C)[C@@H](CO)NC(=O)c1ccc2ncccc2c1 CC(C)[C@@H](CO)[*:1] O=C(N[*:1])c1ccc2ncccc2c1
CCCN1C(=O)CCc2cc(NC(=O)NCc3ccccc3Cl)ccc21 Clc1ccccc1[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)NC[*:1]
CCCN1C(=O)CCc2cc(NC(=O)NCc3ccccc3Cl)ccc21 CCC[*:1] O=C(NCc1ccccc1Cl)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NC(=O)NCc3ccccc3Cl)ccc21 Clc1ccccc1C[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N[*:1]
CC[C@@H](C)NC(=O)Nc1ccccc1Br CC[C@@H](C)[*:1] O=C(Nc1ccccc1Br)N[*:1]
CC(C)(CNC(=O)CC[C@H]([NH3+])c1ccccc1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] [NH3+][C@@H](CCC(=O)NC[*:1])c1ccccc1
CC(C)(CNC(=O)CC[C@H]([NH3+])c1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] CC(C)(CNC(=O)CC[C@H]([NH3+])[*:1])S(C)(=O)=O
CC(C)(CNC(=O)CC[C@H]([NH3+])c1ccccc1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNC(=O)CC[C@H]([NH3+])c1ccccc1)[*:1]
Cn1c(N2CCN(C[C@@H](O)C(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O CC(C)(C)[*:1] Cn1c(c(C#N)c(=O)n(C)c1=O)N1CCN(CC1)C[C@@H](O)[*:1]
Cn1c(N2CCN(C[C@@H](O)C(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O CC(C)(C)[C@H](O)C[*:1] Cn1c(c(C#N)c(=O)n(C)c1=O)N1CCN(CC1)[*:1]
Cc1cc(F)ccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 Cc1cc(F)ccc1[*:1] CN(c1ccc(cc1)OCC(=O)N[*:1])S(=O)(=O)c1cccs1
Cc1cc(F)ccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 c1csc(c1)[*:1] Cc1cc(F)ccc1NC(=O)COc1ccc(cc1)N(C)S(=O)(=O)[*:1]
CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)C[*:1] CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)[*:1] CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)CNC(=O)[*:1] CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(C(C)=O)cc1Cn1ccs/c1=N\C(=O)c1ccc[n+]([O-])c1 CC(=O)[*:1] CCOc1ccc(cc1Cn1ccs/c1=N\C(=O)c1ccc[n+]([O-])c1)[*:1]
CCOc1ccc(C(C)=O)cc1Cn1ccs/c1=N\C(=O)c1ccc[n+]([O-])c1 [O-][n+]1cccc(c1)[*:1] CCOc1ccc(cc1Cn1ccs/c1=N\C(=O)[*:1])C(C)=O
CCOc1ccc(C(C)=O)cc1Cn1ccs/c1=N\C(=O)c1ccc[n+]([O-])c1 CCO[*:1] CC(=O)c1ccc(c(c1)Cn1ccs/c1=N\C(=O)c1ccc[n+]([O-])c1)[*:1]
Cn1c(N[C@@H](Cc2ccccc2)C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C O=C([O-])[*:1] Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N[C@@H](Cc1ccccc1)[*:1]
Cn1c(N[C@@H](Cc2ccccc2)C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C c1ccc(cc1)C[*:1] Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N[C@@H](C(=O)[O-])[*:1]
Cn1c(N[C@@H](Cc2ccccc2)C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C c1ccc(cc1)[*:1] Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N[C@@H](C[*:1])C(=O)[O-]
COc1cccc([C@@H](NC(=O)N2CCC[C@@H](C)C2)c2nccn2C)c1 COc1cccc(c1)[*:1] C[C@@H]1CCCN(C1)C(=O)N[C@@H](c1nccn1C)[*:1]
COc1cccc([C@@H](NC(=O)N2CCC[C@@H](C)C2)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@@H](NC(=O)N1CCC[C@@H](C)C1)[*:1]
Nc1cccc2oc(NCc3nccs3)nc12 c1csc(n1)[*:1] Nc1cccc2oc(nc12)NC[*:1]
Cc1ccc2c(c1)C(=O)C[C@H](C(=O)[O-])C2 O=C([O-])[*:1] Cc1ccc2C[C@@H](CC(=O)c2c1)[*:1]
Cc1ccc(COc2ccc([C@@H]3CC(=O)Nc4c3cnn4-c3ccc4nnc(C)n4n3)cc2)cc1 Cc1ccc(cc1)C[*:1] Cc1nnc2ccc(nn12)-n1ncc2c1NC(=O)C[C@H]2c1ccc(cc1)O[*:1]
Cc1ccc(COc2ccc([C@@H]3CC(=O)Nc4c3cnn4-c3ccc4nnc(C)n4n3)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1nnc2ccc(nn12)-n1ncc2c1NC(=O)C[C@H]2c1ccc(cc1)OC[*:1]
Cc1ccc(COc2ccc([C@@H]3CC(=O)Nc4c3cnn4-c3ccc4nnc(C)n4n3)cc2)cc1 Cc1ccc(cc1)CO[*:1] Cc1nnc2ccc(nn12)-n1ncc2c1NC(=O)C[C@H]2c1ccc(cc1)[*:1]
COCc1cc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)ncn1 CC(C)(C)[*:1] COCc1cc(ncn1)NC(=O)NC[C@H]1CCO[C@H]1[*:1]
COCc1cc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)ncn1 COC[*:1] CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(ncn1)[*:1]
Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)N2CCS(=O)CC2)cc1C O=S1CCN(CC1)[*:1] Cc1cc(C)c(cc1C)[C@H](C)[NH2+]CC(C)(C)[*:1]
CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C1=O Clc1ccc(cc1Cl)C[*:1] CCN1C(=O)S/C(=C\c2ccc(O[*:1])c(c2)OC)C1=O
CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C1=O Clc1ccc(cc1Cl)[*:1] CCN1C(=O)S/C(=C\c2ccc(OC[*:1])c(c2)OC)C1=O
Cc1noc(C)c1[C@H](C)NS(=O)(=O)[C@H](C)C#N C[C@H](C#N)[*:1] Cc1noc(C)c1[C@H](C)NS(=O)(=O)[*:1]
N#Cc1ccccc1N1CCN(C(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] N#Cc1ccccc1N1CCN(CC1)C(=O)[*:1]
O=C(CSc1nncs1)c1ccc2c(c1)Cc1ccccc1-2 c1nnc(SC[*:1])s1 O=C(c1ccc2c(c1)Cc1ccccc1-2)[*:1]
O=C(CSc1nncs1)c1ccc2c(c1)Cc1ccccc1-2 c1nnc(s1)[*:1] O=C(CS[*:1])c1ccc2c(c1)Cc1ccccc1-2
O=C(CSc1nncs1)c1ccc2c(c1)Cc1ccccc1-2 c1nnc(S[*:1])s1 O=C(C[*:1])c1ccc2c(c1)Cc1ccccc1-2
Cc1ccccc1Cn1c(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C Fc1cccc(Cl)c1[*:1] Cc1ccccc1Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH+](CC1)C[*:1]
Cc1ccccc1Cn1c(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C Cc1ccccc1[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](CC1)Cc1c(F)cccc1Cl)n2C[*:1]
Cc1ccccc1Cn1c(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C Cc1ccccc1C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](CC1)Cc1c(F)cccc1Cl)n2[*:1]
Cc1ccccc1Cn1c(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C Fc1cccc(Cl)c1C[*:1] Cc1ccccc1Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH+](CC1)[*:1]
CC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CC[C@@H](c1ccccc1)S(=O)(=O)[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)NC1CC1 C1CC1[*:1] CN(Cc1ccc(Cl)cc1)C(=O)N[*:1]
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCC[C@H]1[*:1]
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] CC[C@@H](C)OC(=O)C[*:1] O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCNC(=O)[C@H]1[*:1]
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] CC[C@@H](C)[*:1] O=C(C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])O[*:1]
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] CC[C@@H](C)OC(=O)[*:1] O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCNC(=O)[C@H]1C[*:1]
NS(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)o1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(o1)C(=O)OCc1ncc(o1)[*:1]
NS(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)o1 NS(=O)(=O)[*:1] O=C(OCc1ncc(o1)-c1ccccc1)c1ccc(o1)[*:1]
CC(C)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 CC(C)[C@@H](C)NC(=O)[*:1] O=C1C[C@H](CN1c1cccc2ccccc12)[*:1]
CC(C)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 CC(C)[*:1] C[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)c1cccc2ccccc12)[*:1]
CC(C)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 CC(C)[C@@H](C)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1cccc2ccccc12
COc1ccc2c(c1)C(=O)N(c1ccccc1C(=O)[O-])C2=O O=C([O-])[*:1] COc1ccc2C(=O)N(C(=O)c2c1)c1ccccc1[*:1]
COCCNC(=O)Cn1ccc2c(Cl)cccc21 COC[*:1] O=C(Cn1ccc2c(Cl)cccc21)NC[*:1]
COCCNC(=O)Cn1ccc2c(Cl)cccc21 COCC[*:1] O=C(Cn1ccc2c(Cl)cccc21)N[*:1]
FC(F)(F)COc1ccccc1CSc1nnnn1C1CC1 C1CC1[*:1] FC(F)(F)COc1ccccc1CSc1nnnn1[*:1]
FC(F)(F)COc1ccccc1CSc1nnnn1C1CC1 FC(F)(F)[*:1] c1ccc(OC[*:1])c(c1)CSc1nnnn1C1CC1
FC(F)(F)COc1ccccc1CSc1nnnn1C1CC1 FC(F)(F)C[*:1] c1ccc(O[*:1])c(c1)CSc1nnnn1C1CC1
FC(F)(F)COc1ccccc1CSc1nnnn1C1CC1 FC(F)(F)CO[*:1] c1ccc(c(c1)CSc1nnnn1C1CC1)[*:1]
O=C(Nc1nc(C(=O)Nc2cccc3ncccc23)co1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc2ncccc12)c1coc(n1)NC(=O)[*:1]
O=C(Nc1nc(C(=O)Nc2cccc3ncccc23)co1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(Nc1cccc2ncccc12)c1coc(n1)[*:1]
Nc1cc(Br)ccc1NC(=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Nc1cc(Br)ccc1NC(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1Cl c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)NCc1ccccc1Cl)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)N[*:1]
Cc1ccccc1Cc1noc([C@@H]2CCCN(C(=O)C3CC3)C2)n1 Cc1ccccc1C[*:1] O=C(C1CC1)N1CCC[C@H](C1)c1nc(no1)[*:1]
Cc1ccccc1Cc1noc([C@@H]2CCCN(C(=O)C3CC3)C2)n1 Cc1ccccc1[*:1] O=C(C1CC1)N1CCC[C@H](C1)c1nc(C[*:1])no1
Cc1ccccc1Cc1noc([C@@H]2CCCN(C(=O)C3CC3)C2)n1 C1CC1[*:1] Cc1ccccc1Cc1noc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCC(=O)N1CCCN(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)CC1 c1cn(cn1)[*:1] CCC(=O)N1CCCN(CC1)C(=O)N[C@H](C)c1cccc(c1)[*:1]
O=C(NCCc1ccc(Cl)cc1)C1CC1 C1CC1[*:1] O=C(NCCc1ccc(Cl)cc1)[*:1]
COC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])s1 COC(=O)[*:1] O=C(Nc1ccc(s1)[*:1])[C@@H]1C[C@@H]1[N+](=O)[O-]
COC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[*:1])s1
CCC[C@H]1CN(C(=O)CCn2c(=O)oc3ccccc32)CCO1 CCC[*:1] O=C(CCn1c(=O)oc2ccccc21)N1CCO[C@H](C1)[*:1]
O=S1(=O)C[C@@H](Nc2ccccc2)[C@@H](S(=O)(=O)[O-])C1 c1ccc(cc1)[*:1] O=S1(=O)C[C@@H](N[*:1])[C@H](C1)S(=O)(=O)[O-]
O=S1(=O)C[C@@H](Nc2ccccc2)[C@@H](S(=O)(=O)[O-])C1 O=S(=O)([O-])[*:1] O=S1(=O)C[C@@H](Nc2ccccc2)[C@@H](C1)[*:1]
CCc1nc(CCNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cs1 Cn1cc(cn1)[*:1] CCc1nc(cs1)CCNC(=O)N1CC[C@@H](C1)C[*:1]
CCc1nc(CCNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cs1 CCc1nc(cs1)[*:1] Cn1cc(cn1)C[C@H]1CCN(C1)C(=O)NCC[*:1]
CCc1nc(CCNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cs1 CCc1nc(cs1)C[*:1] Cn1cc(cn1)C[C@H]1CCN(C1)C(=O)NC[*:1]
CCc1nc(CCNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cs1 Cn1cc(cn1)C[*:1] CCc1nc(cs1)CCNC(=O)N1CC[C@H](C1)[*:1]
CSc1ncccc1C(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 CSc1ncccc1[*:1] O=C(N1CCCc2cc(ccc21)S(=O)(=O)N1CCCC1)[*:1]
CSc1ncccc1C(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 O=S(=O)(N1CCCC1)[*:1] CSc1ncccc1C(=O)N1CCCc2cc(ccc21)[*:1]
Cn1c(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc2ccccc21 c1cc2OCOc2cc1[*:1] Cn1c(cc2ccccc21)C(=O)N1CC[C@@H]([C@H](O)C1)[*:1]
CC[NH2+][C@H](C)[C@H](O)c1cccc(C2CC2)c1 C1CC1[*:1] CC[NH2+][C@H](C)[C@H](O)c1cccc(c1)[*:1]
CCC[NH2+]C[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CCC[*:1] Fc1cc(ccc1Cl)[C@@H]1OCC[C@H]1C[NH2+][*:1]
COc1ccc(F)cc1NC(=O)N[C@H]1CCCn2nc(C(C)C)nc21 CC(C)[*:1] COc1ccc(F)cc1NC(=O)N[C@H]1CCCn2nc(nc21)[*:1]
C[C@H](NC(=O)Nc1ccnn1Cc1ccccn1)c1ccccc1 c1ccc(nc1)[*:1] C[C@H](NC(=O)Nc1ccnn1C[*:1])c1ccccc1
C[C@H](NC(=O)Nc1ccnn1Cc1ccccn1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(Nc1ccnn1Cc1ccccn1)N[*:1]
C[C@H](NC(=O)Nc1ccnn1Cc1ccccn1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1ccnn1Cc1ccccn1)[*:1]
C[C@H](NC(=O)Nc1ccnn1Cc1ccccn1)c1ccccc1 c1ccc(C[*:1])nc1 C[C@H](NC(=O)Nc1ccnn1[*:1])c1ccccc1
Cc1cc(C)c(C)c(OCC[NH2+]CCO)c1 OCC[*:1] Cc1cc(C)c(C)c(c1)OCC[NH2+][*:1]
CC(=O)NCc1ccc(C(=O)NCC2(c3cccs3)CCCC2)o1 c1csc(c1)[*:1] CC(=O)NCc1ccc(o1)C(=O)NCC1(CCCC1)[*:1]
CC(=O)NCc1ccc(C(=O)NCC2(c3cccs3)CCCC2)o1 CC(=O)N[*:1] O=C(NCC1(CCCC1)c1cccs1)c1ccc(C[*:1])o1
CC(=O)NCc1ccc(C(=O)NCC2(c3cccs3)CCCC2)o1 CC(=O)NC[*:1] O=C(NCC1(CCCC1)c1cccs1)c1ccc(o1)[*:1]
CN(CC(F)(F)F)c1cc2c(cc1Cl)C(=O)C(=O)N2 FC(F)(F)[*:1] CN(C[*:1])c1cc2NC(=O)C(=O)c2cc1Cl
CN(CC(F)(F)F)c1cc2c(cc1Cl)C(=O)C(=O)N2 FC(F)(F)C[*:1] CN(c1cc2NC(=O)C(=O)c2cc1Cl)[*:1]
CCC(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCC(=O)NC[C@@H](c1cccnc1)S(=O)(=O)[*:1]
CCC(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1 CCC(=O)N[*:1] O=S(=O)(c1ccc(F)cc1)[C@@H](C[*:1])c1cccnc1
CCC(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1 c1cncc(c1)[*:1] CCC(=O)NC[C@@H](S(=O)(=O)c1ccc(F)cc1)[*:1]
CCC(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1 CCC(=O)NC[*:1] O=S(=O)(c1ccc(F)cc1)[C@H](c1cccnc1)[*:1]
CCC1(CC)C[NH+](C2(C(=O)[O-])CC2)C1 O=C([O-])[*:1] CCC1(CC)C[NH+](C1)C1(CC1)[*:1]
O=c1ccc([N+](=O)[O-])cn1Cc1c(Cl)cccc1Cl O=[N+]([O-])[*:1] O=c1ccc(cn1Cc1c(Cl)cccc1Cl)[*:1]
Cc1nc(COc2cc3oc(=O)cc(C)c3cc2Cl)cs1 Cc1nc(cs1)C[*:1] Cc1cc(=O)oc2cc(O[*:1])c(Cl)cc12
Cc1nc(COc2cc3oc(=O)cc(C)c3cc2Cl)cs1 Cc1nc(cs1)[*:1] Cc1cc(=O)oc2cc(OC[*:1])c(Cl)cc12
NC(=O)CCCNC(=O)c1ccc(F)cc1I NC(=O)CC[*:1] O=C(NC[*:1])c1ccc(F)cc1I
NC(=O)CCCNC(=O)c1ccc(F)cc1I NC(=O)C[*:1] O=C(NCC[*:1])c1ccc(F)cc1I
NC(=O)CCCNC(=O)c1ccc(F)cc1I NC(=O)[*:1] O=C(NCCC[*:1])c1ccc(F)cc1I
C[C@H](O)CCC(=O)NC[C@](C)(O)CO C[C@H](O)C[*:1] C[C@@](O)(CO)CNC(=O)C[*:1]
C[C@H](O)CCC(=O)NC[C@](C)(O)CO C[C@H](O)[*:1] C[C@@](O)(CO)CNC(=O)CC[*:1]
Cc1ccccc1CNC(=O)c1ccc2nc(N3CCOCC3)sc2c1 Cc1ccccc1[*:1] O=C(NC[*:1])c1ccc2nc(sc2c1)N1CCOCC1
Cc1ccccc1CNC(=O)c1ccc2nc(N3CCOCC3)sc2c1 Cc1ccccc1C[*:1] O=C(N[*:1])c1ccc2nc(sc2c1)N1CCOCC1
Cc1ccccc1CNC(=O)c1ccc2nc(N3CCOCC3)sc2c1 C1CN(CCO1)[*:1] Cc1ccccc1CNC(=O)c1ccc2nc(sc2c1)[*:1]
COc1cc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc(OC)c1OC Cc1cccc(C)c1[*:1] COc1cc(cc(OC)c1OC)C(=O)N(C)CC(=O)N[*:1]
O=C1OCCN1c1ccc(NS(=O)(=O)CCc2ccccc2)cc1 O=C1OCCN1[*:1] O=S(=O)(CCc1ccccc1)Nc1ccc(cc1)[*:1]
O=C1OCCN1c1ccc(NS(=O)(=O)CCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] O=C1OCCN1c1ccc(cc1)NS(=O)(=O)[*:1]
O=C1OCCN1c1ccc(NS(=O)(=O)CCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C1OCCN1c1ccc(cc1)NS(=O)(=O)CC[*:1]
O=C1OCCN1c1ccc(NS(=O)(=O)CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C1OCCN1c1ccc(cc1)NS(=O)(=O)C[*:1]
O=C(NCCc1ccccc1)Nc1cc2c3c(c1)CCN3C(=O)CC2 c1ccc(cc1)C[*:1] O=C(NC[*:1])Nc1cc2CCC(=O)N3CCc(c1)c23
O=C(NCCc1ccccc1)Nc1cc2c3c(c1)CCN3C(=O)CC2 c1ccc(cc1)[*:1] O=C(NCC[*:1])Nc1cc2CCC(=O)N3CCc(c1)c23
O=C(NCCc1ccccc1)Nc1cc2c3c(c1)CCN3C(=O)CC2 c1ccc(cc1)CC[*:1] O=C(Nc1cc2CCC(=O)N3CCc(c1)c23)N[*:1]
Cc1csc(N2CCCN(C(=O)c3c(C)oc(C)c3C)CC2)n1 Cc1csc(n1)[*:1] Cc1oc(C)c(C(=O)N2CCCN(CC2)[*:1])c1C
CN(CCc1cn[nH]c1)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O c1n[nH]cc1C[*:1] CN(C[*:1])C(=O)C[C@@]1(CC(=O)N(C)C1=O)c1ccc(cc1)-c1ccccc1
CN(CCc1cn[nH]c1)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O c1n[nH]cc1CC[*:1] CN1C(=O)C[C@@](CC(=O)N(C)[*:1])(C1=O)c1ccc(cc1)-c1ccccc1
CN(CCc1cn[nH]c1)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O c1n[nH]cc1[*:1] CN(CC[*:1])C(=O)C[C@@]1(CC(=O)N(C)C1=O)c1ccc(cc1)-c1ccccc1
CN(CCc1cn[nH]c1)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O c1ccc(cc1)[*:1] CN(CCc1cn[nH]c1)C(=O)C[C@@]1(CC(=O)N(C)C1=O)c1ccc(cc1)[*:1]
CCC[C@@H]1NC(=O)[C@H]2Cc3ccccc3CN2C1=O CCC[*:1] O=C1N[C@H](C(=O)N2Cc3ccccc3C[C@H]12)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1nnc([O-])[nH]c1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)[C@@H](Sc1nnc([O-])[nH]c1=O)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1nnc([O-])[nH]c1=O)c1ccccc1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H](Sc1nnc([O-])[nH]c1=O)c1ccccc1
CC[C@@H](Cc1ccccc1)N(C)C(=O)NCCOC COC[*:1] CC[C@@H](Cc1ccccc1)N(C)C(=O)NC[*:1]
CC[C@@H](Cc1ccccc1)N(C)C(=O)NCCOC c1ccc(cc1)[*:1] CC[C@@H](C[*:1])N(C)C(=O)NCCOC
CC[C@@H](Cc1ccccc1)N(C)C(=O)NCCOC COCC[*:1] CC[C@@H](Cc1ccccc1)N(C)C(=O)N[*:1]
COc1cccc([C@H]2CCCN2C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1[*:1]
CC[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1cccc(Cl)c1 CS(=O)(=O)[*:1] CC[C@@H](NC(=O)Cn1c(C[*:1])nc2ccccc21)c1cccc(Cl)c1
CC[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1cccc(Cl)c1 CS(=O)(=O)C[*:1] CC[C@@H](NC(=O)Cn1c(nc2ccccc21)[*:1])c1cccc(Cl)c1
CC[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)[*:1]
NC(=O)C1CCN(C(=O)COC(=O)C2CCCC2)CC1 C1CCC(C1)[*:1] NC(=O)C1CCN(CC1)C(=O)COC(=O)[*:1]
NC(=O)C1CCN(C(=O)COC(=O)C2CCCC2)CC1 NC(=O)[*:1] O=C(OCC(=O)N1CCC(CC1)[*:1])C1CCCC1
COCCCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O COC[*:1] O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCC[*:1]
COCCCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O COCCC[*:1] O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N[*:1]
COCCCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O COCC[*:1] O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NC[*:1]
C=CCC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 C=CC[*:1] C[C@@H](C[*:1])[NH+]1CCN(CC1)CC(=O)Nc1ccc(F)cc1
C=CCC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 C=CCC[*:1] C[C@H]([NH+]1CCN(CC1)CC(=O)Nc1ccc(F)cc1)[*:1]
C=CCC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C=CCC[C@H](C)[NH+]1CCN(CC1)CC(=O)N[*:1]
CC[C@H](NC(=O)NC[C@@H](C)c1ccc(F)c(F)c1)c1c(C)nn(C)c1C Fc1ccc(cc1F)[*:1] CC[C@H](NC(=O)NC[C@@H](C)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)NC[C@@H](C)c1ccc(F)c(F)c1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)NC[C@@H](C)c1ccc(F)c(F)c1)[*:1]
O=C1C[C@H](C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)CN1c1ccccc1 c1ccc(nc1)[*:1] O=C1C[C@@H](CN1c1ccccc1)C(=O)N(C[*:1])c1nc2ccc(cc2s1)[N+](=O)[O-]
O=C1C[C@H](C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)CN1c1ccccc1 c1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N(Cc1ccccn1)c1nc2ccc(cc2s1)[N+](=O)[O-]
O=C1C[C@H](C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)CN1c1ccccc1 O=[N+]([O-])[*:1] O=C1C[C@@H](CN1c1ccccc1)C(=O)N(Cc1ccccn1)c1nc2ccc(cc2s1)[*:1]
O=C1C[C@H](C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)CN1c1ccccc1 c1ccc(C[*:1])nc1 O=C1C[C@@H](CN1c1ccccc1)C(=O)N(c1nc2ccc(cc2s1)[N+](=O)[O-])[*:1]
C[C@](O)(CNC(=O)Cn1c(C2CC2)nc2ccccc21)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@](O)(CNC(=O)Cn1c(nc2ccccc21)C1CC1)[*:1]
C[C@](O)(CNC(=O)Cn1c(C2CC2)nc2ccccc21)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@](O)(CNC(=O)Cn1c(nc2ccccc21)C1CC1)C[*:1]
C[C@](O)(CNC(=O)Cn1c(C2CC2)nc2ccccc21)CN1CCOCC1 C1CC1[*:1] C[C@](O)(CNC(=O)Cn1c(nc2ccccc21)[*:1])CN1CCOCC1
COc1ccc(N2C[C@H](CNC(=O)C3CC3)CC2=O)cc1 O=C(NC[*:1])C1CC1 COc1ccc(cc1)N1C[C@H](CC1=O)[*:1]
COc1ccc(N2C[C@H](CNC(=O)C3CC3)CC2=O)cc1 O=C(N[*:1])C1CC1 COc1ccc(cc1)N1C[C@@H](CC1=O)C[*:1]
COc1ccc(N2C[C@H](CNC(=O)C3CC3)CC2=O)cc1 C1CC1[*:1] COc1ccc(cc1)N1C[C@H](CNC(=O)[*:1])CC1=O
COC[C@@H](C)n1c(S[C@H](C)C(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O COC[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1[C@H](C)[*:1])C(=O)N1CCc2ccccc2C1
COC[C@@H](C)n1c(S[C@H](C)C(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O COC[C@@H](C)[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)N1CCc2ccccc2C1
C=C(C)CN(CC)C(=O)c1ccc(COc2ccc(F)cc2)o1 C=C(C)C[*:1] CCN(C(=O)c1ccc(COc2ccc(F)cc2)o1)[*:1]
C=C(C)CN(CC)C(=O)c1ccc(COc2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] C=C(C)CN(CC)C(=O)c1ccc(CO[*:1])o1
C=C(C)CN(CC)C(=O)c1ccc(COc2ccc(F)cc2)o1 C=C(C)[*:1] CCN(C[*:1])C(=O)c1ccc(COc2ccc(F)cc2)o1
CC(=O)N/N=C\c1c(Br)c(C)n(-c2cccc(C)c2)c1C Cc1cccc(c1)[*:1] CC(=O)N/N=C\c1c(Br)c(C)n(c1C)[*:1]
CC(=O)N/N=C\c1c(Br)c(C)n(-c2cccc(C)c2)c1C CC(=O)NN=C[*:1] Cc1cccc(c1)-n1c(C)c(Br)c(c1C)[*:1]
O=C(NCCC(=O)N1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(NCCC(=O)N1CCN(CC1)Cc1ccccc1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCC(=O)N1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 c1ccc(cc1)C[*:1] O=C(NCCC(=O)N1CCN(CC1)[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
O=C(NCCC(=O)N1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 c1ccc(cc1)[*:1] O=C(NCCC(=O)N1CCN(CC1)C[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
Nc1c(-c2ccccc2)c[nH]c1C(=O)[O-] O=C([O-])[*:1] Nc1c(c[nH]c1[*:1])-c1ccccc1
Nc1c(C(=O)Nc2ccc(F)c(F)c2)sc2nc(-c3ccncc3)ccc12 c1cc(ccn1)[*:1] Nc1c(sc2nc(ccc12)[*:1])C(=O)Nc1ccc(F)c(F)c1
Nc1c(C(=O)Nc2ccc(F)c(F)c2)sc2nc(-c3ccncc3)ccc12 Fc1ccc(cc1F)[*:1] Nc1c(sc2nc(ccc12)-c1ccncc1)C(=O)N[*:1]
C#CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2cc(F)cc(F)c21 c1ccc(cc1)[*:1] C#CCn1/c(=N/C(=O)CCCS(=O)(=O)[*:1])sc2cc(F)cc(F)c21
C#CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2cc(F)cc(F)c21 C#CC[*:1] O=C(CCCS(=O)(=O)c1ccccc1)/N=c1\sc2cc(F)cc(F)c2n1[*:1]
C#CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2cc(F)cc(F)c21 O=S(=O)(c1ccccc1)[*:1] C#CCn1/c(=N/C(=O)CCC[*:1])sc2cc(F)cc(F)c21
Cc1cc(NC(=O)N2CCCN(c3nccs3)CC2)no1 c1csc(n1)[*:1] Cc1cc(no1)NC(=O)N1CCCN(CC1)[*:1]
Cc1cc(NC(=O)N2CCCN(c3nccs3)CC2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])N1CCCN(CC1)c1nccs1
C[C@H](NC(=O)N1CCCC1(C)C)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@H](NC(=O)N1CCCC1(C)C)c1ccc(cc1)[*:1]
COc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)c3cc(-c4cn(C)nc4C)[nH]n3)C1)O2 Cc1nn(C)cc1[*:1] COc1ccc2O[C@H](CC(=O)c2c1)[C@H]1CCCN(C1)C(=O)c1cc([nH]n1)[*:1]
CCN(c1ccc(C(=O)N(C)C)cc1)S(C)(=O)=O CN(C)C(=O)[*:1] CCN(c1ccc(cc1)[*:1])S(C)(=O)=O
COc1ccccc1C(=O)NCC(=O)Nc1cccnc1C Cc1ncccc1[*:1] COc1ccccc1C(=O)NCC(=O)N[*:1]
CCc1nn(C)cc1CNS(=O)(=O)c1ccccn1 c1ccc(nc1)[*:1] CCc1nn(C)cc1CNS(=O)(=O)[*:1]
CC(C)(O)CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F CC(C)(O)[*:1] O=C(NC[*:1])c1c(F)ccc(c1F)[N+](=O)[O-]
CC(C)(O)CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F CC(C)(O)C[*:1] O=C(N[*:1])c1c(F)ccc(c1F)[N+](=O)[O-]
CC(C)(O)CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] CC(C)(O)CNC(=O)c1c(F)ccc(c1F)[*:1]
CC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1c[nH]cn1 c1nc(c[nH]1)[*:1] CC(=O)C[C@@H]1CCCCN1S(=O)(=O)[*:1]
CC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1c[nH]cn1 CC(=O)[*:1] O=S(=O)(c1c[nH]cn1)N1CCCC[C@H]1C[*:1]
CC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1c[nH]cn1 CC(=O)C[*:1] O=S(=O)(c1c[nH]cn1)N1CCCC[C@H]1[*:1]
C[C@@H](Cn1cccn1)OC(=O)CCc1cc(F)ccc1F c1cnn(c1)C[*:1] C[C@@H](OC(=O)CCc1cc(F)ccc1F)[*:1]
C[C@@H](Cn1cccn1)OC(=O)CCc1cc(F)ccc1F c1cnn(c1)[*:1] C[C@@H](C[*:1])OC(=O)CCc1cc(F)ccc1F
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(OC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(CC1)OC[*:1]
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(OC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(CC1)O[*:1]
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(OC[C@@H]2CCCO2)CC1 CC(C)C[*:1] O=C(N[C@@H]1CCC[C@H]1C[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(OC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)CO[*:1] CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(CC1)[*:1]
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(OC[C@@H]2CCCO2)CC1 CC(C)[*:1] O=C(N[C@@H]1CCC[C@H]1CC[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(OC[C@@H]2CCCO2)CC1 CC(C)CC[*:1] O=C(N[C@@H]1CCC[C@H]1[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
CC(C)(C)c1ccc(C(=O)N/C(=C/c2ccc(O)cc2)C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)(C)c1ccc(cc1)C(=O)N/C(=C/c1ccc(O)cc1)[*:1]
CC(C)(C)c1ccc(C(=O)N/C(=C/c2ccc(O)cc2)C(=O)[O-])cc1 Oc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NC(=C[*:1])C(=O)[O-]
CC(C)(C)c1ccc(C(=O)N/C(=C/c2ccc(O)cc2)C(=O)[O-])cc1 CC(C)(C)[*:1] O=C([O-])/C(=C\c1ccc(O)cc1)NC(=O)c1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)CCCN1C(=O)CNC1=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)CCCN1C(=O)CNC1=O)[*:1]
CC(C)[C@H](NC(=O)CCCN1C(=O)CNC1=O)c1ccccc1 O=C1CNC(=O)N1[*:1] CC(C)[C@H](NC(=O)CCC[*:1])c1ccccc1
CC(C)[C@H](NC(=O)CCCN1C(=O)CNC1=O)c1ccccc1 CC(C)[*:1] O=C(CCCN1C(=O)CNC1=O)N[C@H](c1ccccc1)[*:1]
C#CCOc1ccccc1CN1CCO[C@H](c2ccco2)C1 C#CCO[*:1] c1coc(c1)[C@@H]1CN(CCO1)Cc1ccccc1[*:1]
C#CCOc1ccccc1CN1CCO[C@H](c2ccco2)C1 C#CC[*:1] c1coc(c1)[C@@H]1CN(CCO1)Cc1ccccc1O[*:1]
C#CCOc1ccccc1CN1CCO[C@H](c2ccco2)C1 c1coc(c1)[*:1] C#CCOc1ccccc1CN1CCO[C@H](C1)[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)N1CCCC1
COc1ccc(NC(=O)c2nnc(CN(C)[C@@H]3CCc4ccccc43)s2)cc1 COc1ccc(cc1)[*:1] CN(Cc1nnc(s1)C(=O)N[*:1])[C@@H]1CCc2ccccc21
CCc1nn(C)c(N2CCC(OC3CCCC3)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(c1[*:1])N1CCC(CC1)OC1CCCC1
CCc1nn(C)c(N2CCC(OC3CCCC3)CC2)c1[N+](=O)[O-] C1CCC(C1)O[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N1CCC(CC1)[*:1]
CCc1nn(C)c(N2CCC(OC3CCCC3)CC2)c1[N+](=O)[O-] C1CCC(C1)[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N1CCC(CC1)O[*:1]
CCOc1ccc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H](C)NS(=O)(=O)c1cccc(Cl)c1
CCOc1ccc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2)cc1OC Clc1cccc(c1)[*:1] CCOc1ccc(cc1OC)[C@H](C)NS(=O)(=O)[*:1]
CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl CNC(=O)[*:1] Clc1ccc(c(Cl)c1)[C@@H]1C[C@H]1[*:1]
COc1cccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3)CC2)c1 COc1cccc(c1)[*:1] C[C@H](C(=O)N[*:1])N1CC[NH+](CC1)Cc1ccccc1
COc1cccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)[C@@H](C)N1CC[NH+](CC1)[*:1]
COc1cccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H](C)N1CC[NH+](CC1)C[*:1]
CC(C)CCCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 CC(C)CCCC[*:1] O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[*:1]
CC(C)CCCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 CC(C)CC[*:1] O=C(NCC[*:1])NC[C@@H]1CN2CCC[C@@H]2CO1
CC(C)CCCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 CC(C)CCC[*:1] O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[*:1]
CC(C)CCCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 CC(C)[*:1] O=C(NCCCC[*:1])NC[C@@H]1CN2CCC[C@@H]2CO1
CC(C)CCCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 CC(C)C[*:1] O=C(NCCC[*:1])NC[C@@H]1CN2CCC[C@@H]2CO1
CCC[C@H]([NH2+]C)c1ccn(Cc2c(F)cccc2Cl)c1 CCC[*:1] C[NH2+][C@H](c1ccn(c1)Cc1c(F)cccc1Cl)[*:1]
Cc1ccc(C(=O)CSc2cc(N3C[C@H](C)O[C@@H](C)C3)ncn2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1cc(ncn1)SCC(=O)[*:1]
COc1c(Br)cc(/C(N)=N\OC(=O)c2cccnc2SC)cc1Br CSc1ncccc1[*:1] COc1c(Br)cc(cc1Br)/C(N)=N\OC(=O)[*:1]
CN(C)C(=O)c1cc(NCc2ccccc2OC(F)F)ccc1Cl FC(F)[*:1] CN(C)C(=O)c1cc(ccc1Cl)NCc1ccccc1O[*:1]
CN(C)C(=O)c1cc(NCc2ccccc2OC(F)F)ccc1Cl FC(F)O[*:1] CN(C)C(=O)c1cc(ccc1Cl)NCc1ccccc1[*:1]
CN(C)C(=O)c1cc(NCc2ccccc2OC(F)F)ccc1Cl CN(C)C(=O)[*:1] FC(F)Oc1ccccc1CNc1ccc(Cl)c(c1)[*:1]
Cc1cnc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)s1 Clc1ccc(cc1)[*:1] Cc1cnc(NC(=O)Cc2c(C)nn(c2C)[*:1])s1
Cc1cnc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)s1 Cc1cnc(s1)[*:1] Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[*:1]
COc1ccc([C@]2(Cc3ccccc3)NC(N)=NC2=O)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)[C@@]1(NC(N)=NC1=O)[*:1]
COc1ccc([C@]2(Cc3ccccc3)NC(N)=NC2=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@]1(C[*:1])NC(N)=NC1=O
CC(=O)NCc1ccc(C(=O)N2CCCc3ccc(F)cc32)cc1 CC(=O)NC[*:1] O=C(c1ccc(cc1)[*:1])N1CCCc2ccc(F)cc21
CC(=O)NCc1ccc(C(=O)N2CCCc3ccc(F)cc32)cc1 CC(=O)N[*:1] O=C(c1ccc(cc1)C[*:1])N1CCCc2ccc(F)cc21
CC[C@@H]1CCCCN1C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 Cn1cc(cn1)[*:1] CC[C@@H]1CCCCN1C(=O)c1cc(nc2c(C)c(C)ccc12)[*:1]
COc1cc(CN2CCN(C3CC3)C(=O)C2)cc([N+](=O)[O-])c1O C1CC1[*:1] COc1cc(cc(c1O)[N+](=O)[O-])CN1CCN(C(=O)C1)[*:1]
COc1cc(CN2CCN(C3CC3)C(=O)C2)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(cc(c1O)[*:1])CN1CCN(C(=O)C1)C1CC1
CC[C@@](C)([C@@H](N)c1ccccc1)[NH+]1CCCCC1 c1ccc(cc1)[*:1] CC[C@@](C)([C@@H](N)[*:1])[NH+]1CCCCC1
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(C)c(I)c2)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(cc1I)C(=O)NNC(=O)[C@H](C)O[*:1]
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(C)c(I)c2)cc1C Cc1ccc(cc1I)[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)NNC(=O)[*:1]
COc1cc(C(=O)N/N=C(\C)c2cccc(N)c2)cc(OC)c1OC Nc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)NN=C(C)[*:1]
CC(C)[C@H](CO)NC(=O)c1coc2ccccc12 CC(C)[C@H](CO)[*:1] O=C(N[*:1])c1coc2ccccc12
CC(C)[C@H](CO)NC(=O)c1coc2ccccc12 CC(C)[*:1] O=C(N[C@@H](CO)[*:1])c1coc2ccccc12
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4c(C)cc(Cl)cc4s3)C2)cc1 COc1ccc(cc1)[*:1] Cc1cc(Cl)cc2sc(nc12)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3ccccc3)n2)cc1 CCc1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])N1CCC[C@H]1c1ccccc1
CCc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)-c1noc(CCC(=O)N2CCC[C@@H]2[*:1])n1
Cc1cc(CS(=O)(=O)NC[C@@H]2CC[C@H](C(=O)[O-])O2)no1 Cc1cc(no1)[*:1] O=C([O-])[C@H]1CC[C@@H](CNS(=O)(=O)C[*:1])O1
Cc1cc(CS(=O)(=O)NC[C@@H]2CC[C@H](C(=O)[O-])O2)no1 O=C([O-])[*:1] Cc1cc(CS(=O)(=O)NC[C@@H]2CC[C@H](O2)[*:1])no1
Cc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2ncon2)s1 Cc1ccc(s1)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)c1ncon1)N[*:1]
Cc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2ncon2)s1 c1nc(no1)[*:1] Cc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[*:1])s1
Cc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2ncon2)s1 Clc1ccc(cc1)[*:1] Cc1ccc(NC(=O)N[C@H](c2ncon2)[*:1])s1
O=C1COc2cc(NC(=O)N3CC[C@@H]3c3ccccc3)c(Cl)cc2N1 c1ccc(cc1)[*:1] O=C1COc2cc(NC(=O)N3CC[C@H]3[*:1])c(Cl)cc2N1
Cn1cc[nH+]c1CN1CCN(Cc2cccc(OC3CCCC3)c2)CC1 C1CCC(C1)O[*:1] Cn1cc[nH+]c1CN1CCN(CC1)Cc1cccc(c1)[*:1]
Cn1cc[nH+]c1CN1CCN(Cc2cccc(OC3CCCC3)c2)CC1 C1CCC(C1)[*:1] Cn1cc[nH+]c1CN1CCN(CC1)Cc1cccc(c1)O[*:1]
CC(C)(C)CC(=O)N1CCN(C(=O)c2ccn3ccsc23)CC1 CC(C)(C)C[*:1] O=C(c1ccn2ccsc12)N1CCN(CC1)C(=O)[*:1]
CC(C)(C)CC(=O)N1CCN(C(=O)c2ccn3ccsc23)CC1 CC(C)(C)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccn2ccsc12
Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])c2ccccc2C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC[*:1])c1ccccc1C(=O)[O-]
Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])c2ccccc2C(=O)[O-])cc1 O=C([O-])CC[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1ccccc1C(=O)[O-])[*:1]
Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])c2ccccc2C(=O)[O-])cc1 O=C([O-])C[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccccc1C(=O)[O-]
Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])c2ccccc2C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)N(CCC(=O)[O-])c1ccccc1[*:1]
Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])c2ccccc2C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C([O-])CCN(c1ccccc1C(=O)[O-])S(=O)(=O)[*:1]
O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=[NH+]\c1ccccc1Cl C1CO[C@@H](C1)C[*:1] O=C(N[*:1])c1cc2ccc(O)cc2o/c1=[NH+]\c1ccccc1Cl
O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=[NH+]\c1ccccc1Cl Clc1ccccc1[*:1] O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2oc1=[NH+][*:1]
O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=[NH+]\c1ccccc1Cl C1CO[C@@H](C1)[*:1] O=C(NC[*:1])c1cc2ccc(O)cc2o/c1=[NH+]\c1ccccc1Cl
O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=[NH+]\c1ccccc1Cl O=C(NC[C@@H]1CCCO1)[*:1] Oc1ccc2cc(/c(=[NH+]/c3ccccc3Cl)oc2c1)[*:1]
COC(=O)Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2C)s1 COC(=O)[*:1] C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(C[*:1])s1
COC(=O)Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2C)s1 COC(=O)C[*:1] C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(s1)[*:1]
O=C(Nc1ccccc1Oc1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1O[*:1])N1CCOCC1
O=C(Nc1ccccc1Oc1ccccc1)N1CCOCC1 c1ccc(cc1)O[*:1] O=C(Nc1ccccc1[*:1])N1CCOCC1
O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 C(=C[*:1])c1ccccc1 O=C(NN=C[*:1])c1ccc(cc1)NC(=O)C1CCCCC1
O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 c1ccc(cc1)[*:1] O=C(N/N=C/C=C[*:1])c1ccc(cc1)NC(=O)C1CCCCC1
O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] O=C(N/N=C/C=C/c1ccccc1)c1ccc(cc1)NC(=O)[*:1]
O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 O=C(N[*:1])C1CCCCC1 O=C(N/N=C/C=C/c1ccccc1)c1ccc(cc1)[*:1]
CC(C)(C#N)N1CCN(C(=O)N[C@H]2CCOC2)CC1 CC(C)(C#N)[*:1] O=C(N[C@H]1CCOC1)N1CCN(CC1)[*:1]
CC(C)(C#N)N1CCN(C(=O)N[C@H]2CCOC2)CC1 C1C[C@@H](CO1)[*:1] CC(C)(C#N)N1CCN(CC1)C(=O)N[*:1]
COCCc1noc(Cn2cnc3ccccc32)n1 COCC[*:1] c1ccc2c(c1)ncn2Cc1nc(no1)[*:1]
COCCc1noc(Cn2cnc3ccccc32)n1 COC[*:1] c1ccc2c(c1)ncn2Cc1nc(C[*:1])no1
Cc1ccc(-c2ncc(CN3CC[S@@](=O)C(C)(C)C3)s2)cc1 Cc1ccc(cc1)[*:1] CC1(C)CN(CC[S@]1=O)Cc1cnc(s1)[*:1]
CCOc1cc(NC(=O)c2ccncc2F)ccc1C CCO[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccncc1F
CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(CCNC(N)=O)cc1 NC(=O)NCC[*:1] CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(cc1)[*:1]
CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(CCNC(N)=O)cc1 NC(=O)NC[*:1] CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(cc1)C[*:1]
CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(CCNC(N)=O)cc1 NC(=O)N[*:1] CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(cc1)CC[*:1]
CCOc1ccccc1CN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 CCO[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)Cc1ccccc1[*:1]
CCOc1ccccc1CN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] CCOc1ccccc1CN1CCN(CC1)S(=O)(=O)[*:1]
CN(C(=O)CSc1nnc(-c2ccccc2F)n1C)[C@H]1CCCc2ccccc21 Fc1ccccc1[*:1] CN(C(=O)CSc1nnc(n1C)[*:1])[C@H]1CCCc2ccccc21
CCC[C@H]1CCCN(C(=O)Nc2ncnn2C)C1 Cn1ncnc1[*:1] CCC[C@H]1CCCN(C1)C(=O)N[*:1]
CCC[C@H]1CCCN(C(=O)Nc2ncnn2C)C1 CCC[*:1] Cn1ncnc1NC(=O)N1CCC[C@@H](C1)[*:1]
O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1cccc2cn[nH]c12 O=S(=O)(N1CCCCCC1)[*:1] O=C(Nc1cc(ccc1OCC(F)(F)F)[*:1])c1cccc2cn[nH]c12
O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1cccc2cn[nH]c12 FC(F)(F)C[*:1] O=C(Nc1cc(ccc1O[*:1])S(=O)(=O)N1CCCCCC1)c1cccc2cn[nH]c12
O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1cccc2cn[nH]c12 FC(F)(F)[*:1] O=C(Nc1cc(ccc1OC[*:1])S(=O)(=O)N1CCCCCC1)c1cccc2cn[nH]c12
O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1cccc2cn[nH]c12 FC(F)(F)CO[*:1] O=C(Nc1cc(ccc1[*:1])S(=O)(=O)N1CCCCCC1)c1cccc2cn[nH]c12
O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1cccc2cn[nH]c12 c1cc(c2[nH]ncc2c1)[*:1] O=C(Nc1cc(ccc1OCC(F)(F)F)S(=O)(=O)N1CCCCCC1)[*:1]
O=C(Nc1ccc(F)cc1F)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(F)cc1F)c1nn(cc1O[*:1])-c1ccc(F)cc1
O=C(Nc1ccc(F)cc1F)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1F)c1nn(cc1OCc1ccccc1)[*:1]
O=C(Nc1ccc(F)cc1F)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1F)c1nn(cc1OC[*:1])-c1ccc(F)cc1
O=C(Nc1ccc(F)cc1F)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 c1ccc(cc1)CO[*:1] O=C(Nc1ccc(F)cc1F)c1nn(cc1[*:1])-c1ccc(F)cc1
O=C(Nc1ccc(F)cc1F)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])c1nn(cc1OCc1ccccc1)-c1ccc(F)cc1
CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1-n1cccc1 Cc1ccc(cc1C)[*:1] CCCc1nnc(SCC(=O)N[*:1])n1-n1cccc1
CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1-n1cccc1 CCC[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(n1-n1cccc1)[*:1]
O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)N[C@H](c1ccccn1)[*:1]
O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)c1ccccn1 Fc1ccc(cc1)[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)N[*:1]
O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)[*:1]
O=C(Nc1nc2c(Cl)cccc2s1)c1ccno1 c1cc(on1)[*:1] O=C(Nc1nc2c(Cl)cccc2s1)[*:1]
O=C(NOCc1ccccc1)c1ccc([O-])nn1 c1ccc(cc1)[*:1] O=C(NOC[*:1])c1ccc([O-])nn1
C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1sc2ccccc2c1=O c1cc2OCOc2cc1C[*:1] C[C@@H](C(=O)N1CCN(CC1)[*:1])n1sc2ccccc2c1=O
C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1sc2ccccc2c1=O c1cc2OCOc2cc1[*:1] C[C@@H](C(=O)N1CCN(CC1)C[*:1])n1sc2ccccc2c1=O
C[S@](=O)Cc1cc(NC(=O)Cc2ccccc2F)ccc1Cl Fc1ccccc1[*:1] C[S@](=O)Cc1cc(ccc1Cl)NC(=O)C[*:1]
Cc1ccc([C@H](C)NC(=O)N2CCc3cc(F)ccc3C2)s1 Cc1ccc(s1)[*:1] C[C@H](NC(=O)N1CCc2cc(F)ccc2C1)[*:1]
Cn1nnnc1-c1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 Cn1nnnc1[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1)c1cccc(c1)[*:1]
C#CCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 C#CCO[*:1] Fc1ccc(cc1)CC[NH2+]Cc1ccc(cc1)[*:1]
C#CCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 C#CC[*:1] Fc1ccc(cc1)CC[NH2+]Cc1ccc(cc1)O[*:1]
C#CCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C#CCOc1ccc(cc1)C[NH2+]CC[*:1]
CC(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)cc1 CC(C)[*:1] O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccc(cc1)[*:1]
CC(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)cc1 Brc1ccccc1[*:1] CC(C)c1ccc(/C=N/NC(=O)CNC(=O)[*:1])cc1
N#Cc1cc(Cl)nc(NNC(=O)CCNc2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)CCNc1ccccc1[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)N1CCN(c2ccccc2)CC1 CCN(CC)C(=O)[*:1] O=C(Nc1ccccc1[*:1])N1CCN(CC1)c1ccccc1
CCN(CC)C(=O)c1ccccc1NC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccccc1NC(=O)N1CCN(CC1)[*:1]
CSCC[C@H](C)NC(=O)c1cccc(-c2ccoc2)c1 CSCC[C@H](C)[*:1] O=C(N[*:1])c1cccc(c1)-c1ccoc1
CSCC[C@H](C)NC(=O)c1cccc(-c2ccoc2)c1 CSC[*:1] C[C@@H](C[*:1])NC(=O)c1cccc(c1)-c1ccoc1
CSCC[C@H](C)NC(=O)c1cccc(-c2ccoc2)c1 CSCC[*:1] C[C@H](NC(=O)c1cccc(c1)-c1ccoc1)[*:1]
CSCC[C@H](C)NC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] CSCC[C@H](C)NC(=O)c1cccc(c1)[*:1]
O=C(NCC[C@@H](O)c1ccccc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(NCC[C@@H](O)c1ccccc1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCC[C@@H](O)c1ccccc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 O[C@@H](c1ccccc1)[*:1] O=C(NCC[*:1])[C@@H]1CC(=O)N(C1)CC(F)(F)F
O=C(NCC[C@@H](O)c1ccccc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 c1ccc(cc1)[*:1] O=C(NCC[C@@H](O)[*:1])[C@@H]1CC(=O)N(C1)CC(F)(F)F
O=C(NCC[C@@H](O)c1ccccc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCC[C@@H](O)c1ccccc1)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1Br c1ccc(cc1)[*:1] Cc1ccc(cc1Br)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1Br Cc1ccc(cc1Br)[*:1] O=C(Nc1ccccc1)c1cccc(c1)NC(=O)[*:1]
O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1C(=O)c1ccco1 c1coc(c1)[*:1] O=C(NCCOc1ccc(cc1)[N+](=O)[O-])[C@@H]1CCCCN1C(=O)[*:1]
O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1C(=O)c1ccco1 O=[N+]([O-])[*:1] O=C(NCCOc1ccc(cc1)[*:1])[C@@H]1CCCCN1C(=O)c1ccco1
O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1C(=O)c1ccco1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NCCO[*:1])[C@@H]1CCCCN1C(=O)c1ccco1
Cc1noc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] Cc1noc(n1)NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1[*:1]
Cc1noc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)n1 Cc1noc(n1)NC(=O)C[*:1] FC(F)(F)c1ccccc1-n1c(nnc1-c1cccc(Cl)c1)S[*:1]
Cc1noc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)n1 Cc1noc(n1)NC(=O)CS[*:1] FC(F)(F)c1ccccc1-n1c(nnc1[*:1])-c1cccc(Cl)c1
Cc1noc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)n1 Cc1noc(n1)NC(=O)[*:1] FC(F)(F)c1ccccc1-n1c(nnc1-c1cccc(Cl)c1)SC[*:1]
Cc1noc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)n1 FC(F)(F)c1ccccc1[*:1] Cc1noc(n1)NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1[*:1]
Cc1noc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)n1 Cc1noc(n1)[*:1] O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F)N[*:1]
Cc1noc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)n1 Clc1cccc(c1)[*:1] Cc1noc(n1)NC(=O)CSc1nnc(n1-c1ccccc1C(F)(F)F)[*:1]
CC1=N[C@@H](NC(=O)CSc2nnc(N)s2)C(C#N)=C1C Nc1nnc(s1)[*:1] CC1=N[C@@H](NC(=O)CS[*:1])C(C#N)=C1C
CCCOc1ccc(N2C(=O)C[C@@H](NNc3nc4ccccc4s3)C2=O)cc1 c1ccc2sc(nc2c1)[*:1] CCCOc1ccc(cc1)N1C(=O)C[C@@H](NN[*:1])C1=O
CCCOc1ccc(N2C(=O)C[C@@H](NNc3nc4ccccc4s3)C2=O)cc1 CCC[*:1] O=C1C[C@@H](NNc2nc3ccccc3s2)C(=O)N1c1ccc(cc1)O[*:1]
CCCOc1ccc(N2C(=O)C[C@@H](NNc3nc4ccccc4s3)C2=O)cc1 CCCO[*:1] O=C1C[C@@H](NNc2nc3ccccc3s2)C(=O)N1c1ccc(cc1)[*:1]
CN(CC(C)(C)O)S(=O)(=O)c1ccc(C(=O)[O-])s1 CC(C)(O)C[*:1] CN(S(=O)(=O)c1ccc(s1)C(=O)[O-])[*:1]
CN(CC(C)(C)O)S(=O)(=O)c1ccc(C(=O)[O-])s1 O=C([O-])[*:1] CN(CC(C)(C)O)S(=O)(=O)c1ccc(s1)[*:1]
CN(CC(C)(C)O)S(=O)(=O)c1ccc(C(=O)[O-])s1 CC(C)(O)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(s1)C(=O)[O-]
CCOC(=O)c1ccc(OC(=O)/C=C/c2cccs2)c(Cl)c1 C(=C[*:1])c1cccs1 CCOC(=O)c1ccc(OC(=O)[*:1])c(Cl)c1
CCOC(=O)c1ccc(OC(=O)/C=C/c2cccs2)c(Cl)c1 CCOC(=O)[*:1] O=C(/C=C/c1cccs1)Oc1ccc(cc1Cl)[*:1]
CCOC(=O)c1ccc(OC(=O)/C=C/c2cccs2)c(Cl)c1 c1csc(c1)[*:1] CCOC(=O)c1ccc(OC(=O)C=C[*:1])c(Cl)c1
CCC(=O)NC(=S)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CCC(=O)NC(=S)Nc1ccc(cc1)C(=O)NC[*:1]
CCC(=O)NC(=S)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] CCC(=O)NC(=S)Nc1ccc(cc1)C(=O)N[*:1]
N/C(=N/O)[C@@H]1CN(C(=O)CCC2CCCCC2)CCO1 C1CCC(CC1)[*:1] N/C(=N/O)[C@@H]1CN(CCO1)C(=O)CC[*:1]
N/C(=N/O)[C@@H]1CN(C(=O)CCC2CCCCC2)CCO1 N/C(=N/O)[*:1] O=C(CCC1CCCCC1)N1CCO[C@@H](C1)[*:1]
C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1Br O=[N+]([O-])[*:1] C[C@H](NCc1ccccc1[*:1])c1ccc(F)cc1Br
CCCC(=O)Nc1cccc(NC(=O)N2CC[C@@H](C)[C@H](O)C2)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)N1CC[C@@H](C)[C@H](O)C1
CCCC(=O)Nc1cccc(NC(=O)N2CC[C@@H](C)[C@H](O)C2)c1C CCC[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)N1CC[C@@H](C)[C@H](O)C1
O=CC[NH+]1CCC(N2CCOCC2)CC1 O=CC[*:1] C1CN(CCO1)C1CC[NH+](CC1)[*:1]
OCc1nn2c(c1Br)N[C@@H](c1ccc(Br)o1)C[C@@H]2C(F)(F)F FC(F)(F)[*:1] OCc1nn2c(N[C@H](C[C@H]2[*:1])c2ccc(Br)o2)c1Br
OCc1nn2c(c1Br)N[C@@H](c1ccc(Br)o1)C[C@@H]2C(F)(F)F Brc1ccc(o1)[*:1] OCc1nn2c(N[C@@H](C[C@@H]2C(F)(F)F)[*:1])c1Br
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 O=C(N1CCCC1)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)C[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)CC(=O)N1CCCC1)[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 CN(c1ccccc1)S(=O)(=O)[*:1] O=C(CN1CCN(CC1)C(=O)c1cccc(c1)[*:1])N1CCCC1
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 O=C(C[*:1])N1CCCC1 CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)[*:1]
O=C(NCc1ccccc1F)[C@H]1C[C@H](c2ccccc2)CN(C(=O)C2CCCC2)C1 C1CCC(C1)[*:1] O=C(NCc1ccccc1F)[C@H]1C[C@@H](CN(C1)C(=O)[*:1])c1ccccc1
O=C(NCc1ccccc1F)[C@H]1C[C@H](c2ccccc2)CN(C(=O)C2CCCC2)C1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1F)[C@H]1C[C@H](CN(C1)C(=O)C1CCCC1)[*:1]
O=C(NCc1ccccc1F)[C@H]1C[C@H](c2ccccc2)CN(C(=O)C2CCCC2)C1 Fc1ccccc1[*:1] O=C(NC[*:1])[C@H]1C[C@@H](CN(C1)C(=O)C1CCCC1)c1ccccc1
O=C(NCc1ccccc1F)[C@H]1C[C@H](c2ccccc2)CN(C(=O)C2CCCC2)C1 Fc1ccccc1C[*:1] O=C(N[*:1])[C@H]1C[C@@H](CN(C1)C(=O)C1CCCC1)c1ccccc1
O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(o1)C(c1ccccc1)[*:1])Nc1ccc(F)cc1
O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] c1ccc(cc1)C(c1ccccc1)c1nnc(o1)SC[*:1]
O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)C(c1ccccc1)c1ccccc1)N[*:1]
N#CCOc1ccc(/C=C/c2nc(-c3cc4ccccc4o3)no2)cc1 N#CCO[*:1] C(=C/c1nc(no1)-c1cc2ccccc2o1)\c1ccc(cc1)[*:1]
N#CCOc1ccc(/C=C/c2nc(-c3cc4ccccc4o3)no2)cc1 N#CC[*:1] C(=C/c1nc(no1)-c1cc2ccccc2o1)\c1ccc(cc1)O[*:1]
COc1ccc(-c2ncc(C(=O)Nc3cc(OC)ccc3F)s2)cc1 COc1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)c1cnc(s1)[*:1]
COCCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H](C)C2)n1 COCCC[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nc(nc(N)c1[N+](=O)[O-])N[*:1]
COCCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H](C)C2)n1 O=[N+]([O-])[*:1] COCCCNc1nc(N)c(c(n1)N1C[C@@H](C)C[C@@H](C)C1)[*:1]
COCCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H](C)C2)n1 COCCCN[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nc(nc(N)c1[N+](=O)[O-])[*:1]
COCCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H](C)C2)n1 COC[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nc(nc(N)c1[N+](=O)[O-])NCC[*:1]
COCCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H](C)C2)n1 COCC[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nc(nc(N)c1[N+](=O)[O-])NC[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(OC(F)F)cc1 CCS(=O)(=O)C[*:1] C[C@@H](NC(=O)c1ccc(cc1)OC(F)F)[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(OC(F)F)cc1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)c1ccc(cc1)OC(F)F
CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(OC(F)F)cc1 FC(F)[*:1] CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(cc1)O[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(OC(F)F)cc1 FC(F)O[*:1] CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
CO[C@H](C)c1noc([C@@H]([NH3+])CCS(C)(=O)=O)n1 CO[C@H](C)[*:1] CS(=O)(=O)CC[C@H]([NH3+])c1nc(no1)[*:1]
CO[C@H](C)c1noc([C@@H]([NH3+])CCS(C)(=O)=O)n1 CS(=O)(=O)[*:1] CO[C@H](C)c1noc(n1)[C@@H]([NH3+])CC[*:1]
CO[C@H](C)c1noc([C@@H]([NH3+])CCS(C)(=O)=O)n1 CS(=O)(=O)C[*:1] CO[C@H](C)c1noc(n1)[C@@H]([NH3+])C[*:1]
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCC(C)(C)c1cccs1 c1csc(c1)[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCC(C)(C)[*:1]
CCCCC1CCC(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 CCCC[*:1] CN(C1CCN(CC1)C(=O)C1CCC(CC1)[*:1])S(C)(=O)=O
CCCCC1CCC(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 CN(S(C)(=O)=O)[*:1] CCCCC1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
CCCCC1CCC(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 CCC[*:1] CN(C1CCN(CC1)C(=O)C1CCC(CC1)C[*:1])S(C)(=O)=O
NC(=O)[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] NC(=O)[C@@H](NC(=O)CC[*:1])c1ccccc1
NC(=O)[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1 NC(=O)[*:1] O=C(CCCc1ccccc1)N[C@@H](c1ccccc1)[*:1]
NC(=O)[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)CCCc1ccccc1)[*:1]
NC(=O)[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)CCC[*:1])c1ccccc1
Cc1cc(N2CCN(Cc3cc(=O)oc4cc(O)ccc34)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCN(CC1)Cc1cc(=O)oc2cc(O)ccc12
O=C(NCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)C1CCN(CC1)C(=O)CNC(=O)[*:1]
O=C(NCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccccc1 Clc1ccc(cc1)[*:1] O=C(NCC(=O)N1CCC(CC1)C(=O)N[*:1])c1ccccc1
O=C(NCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(Nc1ccc(Cl)cc1)C1CCN(CC1)C(=O)C[*:1]
C[C@H]1CN(c2nccnc2C#N)CCN1CN1CCCCC1=O O=C1CCCCN1[*:1] C[C@H]1CN(CCN1C[*:1])c1nccnc1C#N
CCN(CC)c1ncnc(OC2CCCCC2)c1N C1CCC(CC1)[*:1] CCN(CC)c1ncnc(O[*:1])c1N
CCN(CC)c1ncnc(OC2CCCCC2)c1N CCN(CC)[*:1] Nc1c(ncnc1[*:1])OC1CCCCC1
COc1ccc(CCNC(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc23)cc1 COc1ccc(cc1)CC[*:1] Nc1c(C(=O)N[*:1])c2nc3ccccc3nc2n1C1CCCCC1
COc1ccc(CCNC(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc23)cc1 COc1ccc(cc1)[*:1] Nc1c(C(=O)NCC[*:1])c2nc3ccccc3nc2n1C1CCCCC1
COc1ccc(CCNC(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc23)cc1 COc1ccc(cc1)C[*:1] Nc1c(C(=O)NC[*:1])c2nc3ccccc3nc2n1C1CCCCC1
COc1ccc(CCNC(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc23)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)CCNC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
CC[C@H](NC(=O)Nc1ccc(F)c(C(N)=O)c1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@H](NC(=O)Nc1ccc(F)c(c1)C(N)=O)[*:1]
CC[C@H](NC(=O)Nc1ccc(F)c(C(N)=O)c1)c1cc(F)ccc1F NC(=O)[*:1] CC[C@H](NC(=O)Nc1ccc(F)c(c1)[*:1])c1cc(F)ccc1F
Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)c12 C1CC1[*:1] Cc1noc2nc(cc(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)c12)[*:1]
Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)c12 Fc1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)O[C@@H](C)C(=O)[*:1])c12)C1CC1
Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)c12 O=C(c1ccc(F)cc1)[*:1] Cc1noc2nc(cc(C(=O)O[C@@H](C)[*:1])c12)C1CC1
CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OCC)cc2)C1 CCO[*:1] CCCS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(cc1)[*:1]
CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OCC)cc2)C1 CCC[*:1] CCOc1ccc(cc1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)NC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)NC(=O)Nc1nc(cs1)[*:1]
COc1ccc(S(=O)(=O)NC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccc(F)cc1)NS(=O)(=O)[*:1]
CN(C)C(=O)CNC(=O)NCCOCC(=O)[O-] O=C([O-])[*:1] CN(C)C(=O)CNC(=O)NCCOC[*:1]
CN(C)C(=O)CNC(=O)NCCOCC(=O)[O-] O=C([O-])C[*:1] CN(C)C(=O)CNC(=O)NCCO[*:1]
CN(C)C(=O)CNC(=O)NCCOCC(=O)[O-] CN(C)C(=O)[*:1] O=C([O-])COCCNC(=O)NC[*:1]
CN(C)C(=O)CNC(=O)NCCOCC(=O)[O-] O=C([O-])CO[*:1] CN(C)C(=O)CNC(=O)NCC[*:1]
CC[C@@H](C(=O)Nc1cccnc1C)C(N)=S NC(=S)[*:1] CC[C@@H](C(=O)Nc1cccnc1C)[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)NC(=O)[C@@H]1CCC[C@H](C1)[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1CCC[C@@H](C1)C(F)(F)F)[C@H](O)[*:1]
COC[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])c1ccccc1C(F)(F)F
COC[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)c1ccccc1C(F)(F)F)[*:1]
COC[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 FC(F)(F)[*:1] COC[C@@H](NC(=O)c1ccccc1[*:1])c1ccc(F)c(F)c1
CCc1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)[C@@H](C[*:1])N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O
CCc1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O CCc1ccccc1[*:1] O=C(N[*:1])[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O
CCc1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O c1ccc(cc1)C[*:1] CCc1ccccc1NC(=O)[C@@H](N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)[*:1]
Cc1cn2c(C[NH+](Cc3ccccc3)CC3(O)CCOCC3)c(C)nc2s1 c1ccc(cc1)[*:1] Cc1cn2c(C[NH+](CC3(O)CCOCC3)C[*:1])c(C)nc2s1
Cc1cn2c(C[NH+](Cc3ccccc3)CC3(O)CCOCC3)c(C)nc2s1 c1ccc(cc1)C[*:1] Cc1cn2c(C[NH+](CC3(O)CCOCC3)[*:1])c(C)nc2s1
Cc1cn2c(C[NH+](Cc3ccccc3)CC3(O)CCOCC3)c(C)nc2s1 OC1(CCOCC1)[*:1] Cc1cn2c(C[NH+](Cc3ccccc3)C[*:1])c(C)nc2s1
CCc1nn(C)cc1CNC(=O)N(C)CCc1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)N(C)CC[*:1]
CCc1nn(C)cc1CNC(=O)N(C)CCc1ccccc1 c1ccc(cc1)C[*:1] CCc1nn(C)cc1CNC(=O)N(C)C[*:1]
Cc1cccc(-n2c(N)c(C#N)c3c(c2=S)CO[C@H](C(C)C)C3)c1 CC(C)[*:1] Cc1cccc(c1)-n1c(N)c(C#N)c2C[C@@H](OCc2c1=S)[*:1]
Cc1cccc(-n2c(N)c(C#N)c3c(c2=S)CO[C@H](C(C)C)C3)c1 Cc1cccc(c1)[*:1] CC(C)[C@@H]1Cc2c(C#N)c(N)n(c(=S)c2CO1)[*:1]
CCc1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 O[C@@H](C[*:1])c1cccs1 CCc1ccc(cc1)C(=O)N1CCOC[C@@H]1[*:1]
CCc1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 c1csc(c1)[*:1] CCc1ccc(cc1)C(=O)N1CCOC[C@H]1C[C@H](O)[*:1]
CCc1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)cc1 CCc1ccc(cc1)[*:1] O=C(N1CCOC[C@H]1C[C@H](O)c1cccs1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccc2c(c1)COC2 Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2COCc2c1
CC/[NH+]=C(/NCc1ccc(C#N)cc1)N[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CC/[NH+]=C(/NCc1ccc(C#N)cc1)N[C@@H]1CCN(C1)[*:1]
CC/[NH+]=C(/NCc1ccc(C#N)cc1)N[C@@H]1CCN(c2ccccc2)C1 N#Cc1ccc(cc1)[*:1] CC/[NH+]=C(/NC[*:1])N[C@@H]1CCN(C1)c1ccccc1
CSC[C@@H](C)N(C)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 CSC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)NC(=O)N(C)[C@H](C)[*:1]
CSC[C@@H](C)N(C)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 Cc1cc(C)n(n1)[*:1] CSC[C@@H](C)N(C)C(=O)Nc1ccc(c(F)c1)[*:1]
COc1cccc2cc([C@@H](C)NC(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)oc12 FC(F)(F)[*:1] COc1cccc2cc(oc12)[C@@H](C)NC(=O)Nc1cc(c[nH]c1=O)[*:1]
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1cccc(C(C)C)c1 O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])S(=O)(=O)Oc1cccc(c1)C(C)C
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1cccc(C(C)C)c1 CC(C)[*:1] Cc1c(cccc1S(=O)(=O)Oc1cccc(c1)[*:1])[N+](=O)[O-]
CC(C)=CC(=O)NCc1ccc(C(=O)NCc2cnn(C)c2)cc1 CC(C)=CC(=O)NC[*:1] Cn1cc(cn1)CNC(=O)c1ccc(cc1)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)NCc2cnn(C)c2)cc1 CC(C)=C[*:1] Cn1cc(cn1)CNC(=O)c1ccc(cc1)CNC(=O)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)NCc2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)NC[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)NCc2cnn(C)c2)cc1 Cn1cc(cn1)C[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)N[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)NCc2cnn(C)c2)cc1 CC(C)=CC(=O)N[*:1] Cn1cc(cn1)CNC(=O)c1ccc(cc1)C[*:1]
CCOC(=O)COc1ccc2cc(-c3ccccn3)c(=O)oc2c1 CCOC(=O)C[*:1] O=c1oc2cc(ccc2cc1-c1ccccn1)O[*:1]
CCOC(=O)COc1ccc2cc(-c3ccccn3)c(=O)oc2c1 c1ccc(nc1)[*:1] CCOC(=O)COc1ccc2cc(c(=O)oc2c1)[*:1]
CCOC(=O)COc1ccc2cc(-c3ccccn3)c(=O)oc2c1 CCOC(=O)CO[*:1] O=c1oc2cc(ccc2cc1-c1ccccn1)[*:1]
CCOC(=O)COc1ccc2cc(-c3ccccn3)c(=O)oc2c1 CCOC(=O)[*:1] O=c1oc2cc(ccc2cc1-c1ccccn1)OC[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2ccc(F)cc2)c1 CCC(=O)N[*:1] O=C(NNc1ccc(F)cc1)Nc1cc(ccc1Cl)[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)NN[*:1]
COC(=O)c1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1 COC(=O)[*:1] O=c1oc2ccccc2c(Nc2ccc(cc2)[*:1])c1[N+](=O)[O-]
COC(=O)c1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)Nc1c(c(=O)oc2ccccc12)[*:1]
COc1ccc(C(=O)C(=O)Nc2ccc(OC)c3ncccc23)cc1 COc1ccc(cc1)[*:1] COc1ccc(NC(=O)C(=O)[*:1])c2cccnc12
O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccc(C(=O)c3ccccc3)cc1N2 c1ccc(cc1)[*:1] O=C1CCCC2Nc3cc(ccc3N[C@@H](C=21)c1ccc(o1)[N+](=O)[O-])C(=O)[*:1]
O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccc(C(=O)c3ccccc3)cc1N2 O=[N+]([O-])c1ccc(o1)[*:1] O=C1CCCC2Nc3cc(ccc3N[C@H](C=21)[*:1])C(=O)c1ccccc1
O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccc(C(=O)c3ccccc3)cc1N2 O=[N+]([O-])[*:1] O=C1CCCC2Nc3cc(ccc3N[C@@H](C=21)c1ccc(o1)[*:1])C(=O)c1ccccc1
O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccc(C(=O)c3ccccc3)cc1N2 O=C(c1ccccc1)[*:1] O=C1CCCC2Nc3cc(ccc3N[C@@H](C=21)c1ccc(o1)[N+](=O)[O-])[*:1]
CS[C@H]1CC[C@@H](NC(=O)c2cc(F)ccc2NC(=O)[C@H]2C[C@@H]2C)C1 C[C@H]1C[C@@H]1C(=O)N[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1cc(F)ccc1[*:1]
CS[C@H]1CC[C@@H](NC(=O)c2cc(F)ccc2NC(=O)[C@H]2C[C@@H]2C)C1 C[C@H]1C[C@@H]1[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1cc(F)ccc1NC(=O)[*:1]
Cc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)CCC3)cc1Cl c1cc2CCCc2cc1[*:1] Cc1ccc(cc1Cl)NC(=O)C[S@@](=O)CC(=O)N[*:1]
Cc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)CCC3)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(C[S@](=O)CC(=O)N[*:1])Nc1ccc2CCCc2c1
COCCc1noc(-c2cn(Cc3ccccc3)nn2)n1 COCC[*:1] c1ccc(cc1)Cn1cc(nn1)-c1nc(no1)[*:1]
COCCc1noc(-c2cn(Cc3ccccc3)nn2)n1 c1ccc(cc1)C[*:1] COCCc1noc(n1)-c1cn(nn1)[*:1]
COCCc1noc(-c2cn(Cc3ccccc3)nn2)n1 COC[*:1] c1ccc(cc1)Cn1cc(nn1)-c1nc(C[*:1])no1
COCCc1noc(-c2cn(Cc3ccccc3)nn2)n1 c1ccc(cc1)[*:1] COCCc1noc(n1)-c1cn(C[*:1])nn1
CNC(=O)c1ccc(Cl)c(NC(=O)C[C@H](C)c2cccc(OC)c2)c1 CNC(=O)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)Nc1cc(ccc1Cl)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)C[C@H](C)c2cccc(OC)c2)c1 COc1cccc(c1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)C[C@H](C)[*:1]
C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O c1ccc2c(cccc2c1)[*:1] C[C@]1(NC(=O)N(CC(=O)c2ccc3OCOc3c2)C1=O)[*:1]
C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O c1cc2OCOc2cc1[*:1] C[C@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1cccc2ccccc12
Brc1ccccc1CN1CC[NH+](Cc2ccncc2)CC1 Brc1ccccc1[*:1] c1cc(ccn1)C[NH+]1CCN(CC1)C[*:1]
Brc1ccccc1CN1CC[NH+](Cc2ccncc2)CC1 c1cc(ccn1)[*:1] Brc1ccccc1CN1CC[NH+](CC1)C[*:1]
Brc1ccccc1CN1CC[NH+](Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] Brc1ccccc1CN1CC[NH+](CC1)[*:1]
COC[C@H](NCc1cccc(N(C)C)[nH+]1)C(C)C CC(C)[*:1] COC[C@H](NCc1cccc([nH+]1)N(C)C)[*:1]
COC[C@H](NCc1cccc(N(C)C)[nH+]1)C(C)C CN(C)[*:1] COC[C@H](NCc1cccc([nH+]1)[*:1])C(C)C
COC[C@H](NCc1cccc(N(C)C)[nH+]1)C(C)C COC[*:1] CC(C)[C@@H](NCc1cccc([nH+]1)N(C)C)[*:1]
Cc1ccc(C)n1[C@H](C)C(=O)NC[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(C)n1[C@H](C)C(=O)NC[C@H](C)[*:1]
Cc1ccc(C)n1[C@H](C)C(=O)NC[C@H](C)c1ccccc1 Cc1ccc(C)n1[*:1] C[C@@H](CNC(=O)[C@@H](C)[*:1])c1ccccc1
CC[C@H](C)C(=O)NC[C@@H](C)c1ccc(F)cc1 CC[C@H](C)[*:1] C[C@H](CNC(=O)[*:1])c1ccc(F)cc1
CCOc1cc(C)ccc1NCc1ncn(-c2ccccc2)n1 CCO[*:1] Cc1ccc(NCc2ncn(n2)-c2ccccc2)c(c1)[*:1]
CCOc1cc(C)ccc1NCc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCOc1cc(C)ccc1NCc1ncn(n1)[*:1]
Cc1cc(C(=O)N2CCC3(CC2)OCCS3)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)N1CCC2(CC1)OCCS2
CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 c1csc(c1)[*:1] CC[C@H](C)NS(=O)(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CSc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CSc1ccc(cc1[*:1])S(=O)(=O)Nc1cccc(C)c1
CSc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C(=O)N1CCCC1 Cc1cccc(c1)[*:1] CSc1ccc(cc1C(=O)N1CCCC1)S(=O)(=O)N[*:1]
O=C(CSc1nccc(=O)[nH]1)Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CSc1nccc(=O)[nH]1)Nc1ccc(cc1)N[*:1]
O=C(CSc1nccc(=O)[nH]1)Nc1ccc(Nc2ccccc2)cc1 O=c1ccnc([nH]1)[*:1] O=C(CS[*:1])Nc1ccc(cc1)Nc1ccccc1
O=C(CSc1nccc(=O)[nH]1)Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)N[*:1] O=C(CSc1nccc(=O)[nH]1)Nc1ccc(cc1)[*:1]
O=C(CSc1nccc(=O)[nH]1)Nc1ccc(Nc2ccccc2)cc1 O=c1ccnc([nH]1)S[*:1] O=C(C[*:1])Nc1ccc(cc1)Nc1ccccc1
CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(C)noc2C)C1(CC)CC CCO[*:1] CCC1(CC)[C@@H](C[C@H]1[*:1])N(C)S(=O)(=O)c1c(C)noc1C
CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(C)noc2C)C1(CC)CC Cc1noc(C)c1[*:1] CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)[*:1])C1(CC)CC
C#CCN(CC(=O)[O-])C(=O)NCC[C@@H]1CCCO1 O=C([O-])C[*:1] C#CCN(C(=O)NCC[C@@H]1CCCO1)[*:1]
C#CCN(CC(=O)[O-])C(=O)NCC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C#CCN(CC(=O)[O-])C(=O)NC[*:1]
C#CCN(CC(=O)[O-])C(=O)NCC[C@@H]1CCCO1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)NCC[C@@H]1CCCO1
C#CCN(CC(=O)[O-])C(=O)NCC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C#CCN(CC(=O)[O-])C(=O)NCC[*:1]
C#CCN(CC(=O)[O-])C(=O)NCC[C@@H]1CCCO1 C#CC[*:1] O=C([O-])CN(C(=O)NCC[C@@H]1CCCO1)[*:1]
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)sc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] C#CCn1/c(=N/C(=O)c2ccc(cc2)S(=O)(=O)N(C)C(C)C)sc2ccc(cc21)[*:1]
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)sc2ccc([N+](=O)[O-])cc21 CC(C)[*:1] C#CCn1/c(=N/C(=O)c2ccc(cc2)S(=O)(=O)N(C)[*:1])sc2ccc(cc21)[N+](=O)[O-]
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)sc2ccc([N+](=O)[O-])cc21 C#CC[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)C(=O)/N=c1\sc2ccc(cc2n1[*:1])[N+](=O)[O-]
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)sc2ccc([N+](=O)[O-])cc21 CC(C)N(C)S(=O)(=O)[*:1] C#CCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2ccc(cc21)[N+](=O)[O-]
COc1ccc(-c2cc(C(=O)NCC(C)C)on2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)-c1cc(on1)C(=O)NC[*:1]
COc1ccc(-c2cc(C(=O)NCC(C)C)on2)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)-c1cc(on1)C(=O)N[*:1]
COc1ccc(-c2cc(C(=O)NCC(C)C)on2)cc1OC CC(C)CNC(=O)[*:1] COc1ccc(cc1OC)-c1cc(on1)[*:1]
C[C@H](NC(=O)c1ccc[nH]1)c1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] C[C@H](NC(=O)c1ccc[nH]1)c1nc(cs1)[*:1]
C[C@H](NC(=O)c1ccc[nH]1)c1nc(-c2cccnc2)cs1 c1c[nH]c(c1)[*:1] C[C@H](NC(=O)[*:1])c1nc(cs1)-c1cccnc1
CCSCC[C@H](C)N(C)C(=O)Nc1cncc(C)c1 CCSC[*:1] Cc1cncc(c1)NC(=O)N(C)[C@@H](C)C[*:1]
CCSCC[C@H](C)N(C)C(=O)Nc1cncc(C)c1 CCS[*:1] Cc1cncc(c1)NC(=O)N(C)[C@@H](C)CC[*:1]
CCSCC[C@H](C)N(C)C(=O)Nc1cncc(C)c1 CCSCC[*:1] Cc1cncc(c1)NC(=O)N(C)[C@@H](C)[*:1]
CC(C)(C)SCC(=O)NCC(C)(C)N1CCS(=O)CC1 CC(C)(C)SC[*:1] CC(C)(CNC(=O)[*:1])N1CCS(=O)CC1
CC(C)(C)SCC(=O)NCC(C)(C)N1CCS(=O)CC1 CC(C)(C)S[*:1] CC(C)(CNC(=O)C[*:1])N1CCS(=O)CC1
CC(C)(C)SCC(=O)NCC(C)(C)N1CCS(=O)CC1 CC(C)(C)[*:1] CC(C)(CNC(=O)CS[*:1])N1CCS(=O)CC1
CCCCCN(C(=O)N[C@H](C)c1ncc(C)s1)C(C)C CC(C)[*:1] CCCCCN(C(=O)N[C@H](C)c1ncc(C)s1)[*:1]
CCCCCN(C(=O)N[C@H](C)c1ncc(C)s1)C(C)C CCCC[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N(C[*:1])C(C)C
CCCCCN(C(=O)N[C@H](C)c1ncc(C)s1)C(C)C CCCCC[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N(C(C)C)[*:1]
CCCCCN(C(=O)N[C@H](C)c1ncc(C)s1)C(C)C Cc1cnc(s1)[*:1] CCCCCN(C(=O)N[C@H](C)[*:1])C(C)C
CCCCCN(C(=O)N[C@H](C)c1ncc(C)s1)C(C)C CCC[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N(CC[*:1])C(C)C
N#CNC(=O)/C=C/c1ccc(C#N)cc1 N#CNC(=O)[*:1] N#Cc1ccc(C=C[*:1])cc1
CC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccn(C)c3)cc2)cc1 CC(=O)[*:1] Cn1ccc(c1)CNC(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccn(C)c3)cc2)cc1 Cn1ccc(c1)C[*:1] CC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)N[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccn(C)c3)cc2)cc1 Cn1ccc(c1)[*:1] CC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)NC[*:1]
CC(C)OCCN1CCN(C(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)CC1 CC(C)OC[*:1] CC(C)[C@@H](C(=O)N1CCN(CC1)C[*:1])N1C[C@@H](C)O[C@H](C)C1
CC(C)OCCN1CCN(C(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)CC1 CC(C)[*:1] CC(C)OCCN1CCN(CC1)C(=O)[C@H](N1C[C@@H](C)O[C@H](C)C1)[*:1]
CC(C)OCCN1CCN(C(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)CC1 CC(C)O[*:1] CC(C)[C@@H](C(=O)N1CCN(CC1)CC[*:1])N1C[C@@H](C)O[C@H](C)C1
CC(C)OCCN1CCN(C(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)CC1 CC(C)OCC[*:1] CC(C)[C@@H](C(=O)N1CCN(CC1)[*:1])N1C[C@@H](C)O[C@H](C)C1
CC(C)OCCN1CCN(C(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)CC1 CC(C)[*:1] CC(C)[C@@H](C(=O)N1CCN(CCO[*:1])CC1)N1C[C@@H](C)O[C@H](C)C1
COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CC[C@H](C[NH3+])O1 CC(C)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)[C@H]1CC[C@H](C[NH3+])O1
COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CC[C@H](C[NH3+])O1 COC(=O)[*:1] CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CC[C@H](C[NH3+])O1 CC(C)C[*:1] COC(=O)[C@@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)[*:1]
C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCCc1cccnc1 c1cncc(c1)C[*:1] C[C@H](Oc1ccc(F)c(F)c1)C(=O)OC[*:1]
C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCCc1cccnc1 c1cncc(c1)[*:1] C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCC[*:1]
COC(=O)C[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(F)cc1 COC(=O)C[*:1] CC1(C)C(=O)O[C@@H](c2ccc(F)cc2)[C@@H](C1=O)[*:1]
COC(=O)C[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(F)cc1 COC(=O)[*:1] CC1(C)C(=O)O[C@@H](c2ccc(F)cc2)[C@H](C[*:1])C1=O
COC(=O)C[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)C[C@@H]1C(=O)C(C)(C)C(=O)O[C@@H]1[*:1]
CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 CCC(=O)N[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1ccc(cc1)-c1ccccc1
O=C([O-])c1ccc(S(=O)(=O)NCCCn2cccn2)cc1 c1cnn(c1)[*:1] O=C([O-])c1ccc(cc1)S(=O)(=O)NCCC[*:1]
O=C([O-])c1ccc(S(=O)(=O)NCCCn2cccn2)cc1 c1cnn(c1)C[*:1] O=C([O-])c1ccc(cc1)S(=O)(=O)NCC[*:1]
O=C([O-])c1ccc(S(=O)(=O)NCCCn2cccn2)cc1 c1cnn(c1)CC[*:1] O=C([O-])c1ccc(cc1)S(=O)(=O)NC[*:1]
O=C([O-])c1ccc(S(=O)(=O)NCCCn2cccn2)cc1 O=C([O-])[*:1] O=S(=O)(NCCCn1cccn1)c1ccc(cc1)[*:1]
O=C([O-])CC/C(=N\NC(=O)c1ccccc1Br)c1ccccc1 O=C([O-])[*:1] O=C(N/N=C(\CC[*:1])c1ccccc1)c1ccccc1Br
O=C([O-])CC/C(=N\NC(=O)c1ccccc1Br)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CCC(=NNC(=O)c1ccccc1Br)[*:1]
O=C([O-])CC/C(=N\NC(=O)c1ccccc1Br)c1ccccc1 O=C([O-])CC[*:1] O=C(N/N=C(/c1ccccc1)[*:1])c1ccccc1Br
O=C([O-])CC/C(=N\NC(=O)c1ccccc1Br)c1ccccc1 O=C([O-])C[*:1] O=C(N/N=C(\C[*:1])c1ccccc1)c1ccccc1Br
O=C([O-])CC/C(=N\NC(=O)c1ccccc1Br)c1ccccc1 Brc1ccccc1[*:1] O=C([O-])CC/C(=N\NC(=O)[*:1])c1ccccc1
CN1C(=O)c2cccc(NC(=O)Cc3ccc(F)cc3)c2C1=O Fc1ccc(cc1)[*:1] CN1C(=O)c2cccc(NC(=O)C[*:1])c2C1=O
Brc1ccc(CO/N=C/c2csnn2)cc1 c1snnc1[*:1] Brc1ccc(cc1)CON=C[*:1]
O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)C1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)C1CCN(CC1)[*:1]
O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)C1CCN(c2ncccn2)CC1 c1ccc(cc1)[*:1] O=C(N[C@H](c1ccc(Br)cc1F)[*:1])C1CCN(CC1)c1ncccn1
O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)C1CCN(c2ncccn2)CC1 Fc1cc(Br)ccc1[*:1] O=C(N[C@H](c1ccccc1)[*:1])C1CCN(CC1)c1ncccn1
Cc1ncc(S(C)(=O)=O)c(N2C[C@H]3CC=CC[C@H]3C2)n1 CS(=O)(=O)[*:1] Cc1ncc(c(n1)N1C[C@H]2CC=CC[C@H]2C1)[*:1]
CN(CCCS(C)(=O)=O)C(=O)C[C@@H]1CCCCC1(C)C CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)C[C@@H]1CCCCC1(C)C
CN(CCCS(C)(=O)=O)C(=O)C[C@@H]1CCCCC1(C)C CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)C[C@@H]1CCCCC1(C)C
CN(CCCS(C)(=O)=O)C(=O)C[C@@H]1CCCCC1(C)C CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)C[C@@H]1CCCCC1(C)C
CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 CC(C)(C)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O)c1ccc(cc1)[*:1]
CN(C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccc2c(c1)N(C(=O)c1ccccc1S2(=O)=O)[*:1])C1CCCCC1
CN(C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc2c(c1)N(C[*:1])C(=O)c1ccccc1S2(=O)=O)C1CCCCC1
CN(C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)[*:1]
CN(C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1 CN(C(=O)[*:1])C1CCCCC1 O=C1c2ccccc2S(=O)(=O)c2ccc(cc2N1Cc1ccccc1)[*:1]
CS(=O)(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](O)[C@@H]1O CS(=O)(=O)NC[*:1] O=C(C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[*:1])N1CCN(CC1)c1cccc[nH+]1
CS(=O)(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](O)[C@@H]1O CS(=O)(=O)N[*:1] O=C(C[C@@H]1O[C@H](C[*:1])[C@@H](O)[C@H]1O)N1CCN(CC1)c1cccc[nH+]1
C1CC[C@@H]2CC[C@H](c3nc([C@@H]4CCOC4)no3)[NH2+][C@H]2C1 C1C[C@H](CO1)[*:1] C1CC[C@@H]2CC[C@@H]([NH2+][C@H]2C1)c1nc(no1)[*:1]
Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1C Cc1ccc(cc1C)[*:1] Cn1c(CC(=O)N[*:1])nnc1SCC(=O)Nc1nc2ccccc2s1
Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1C c1ccc2sc(nc2c1)[*:1] Cc1ccc(cc1C)NC(=O)Cc1nnc(SCC(=O)N[*:1])n1C
CCN(C(=O)[C@@H]1CCCN(C(=O)OC)C1)[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CCN(C(=O)[C@@H]1CCCN(C1)C(=O)OC)[*:1]
CCN(C(=O)[C@@H]1CCCN(C(=O)OC)C1)[C@H](C)C(C)C CC(C)[*:1] CCN(C(=O)[C@@H]1CCCN(C1)C(=O)OC)[C@H](C)[*:1]
Cc1n[nH]c(C2CCN(c3nnc(C4CCC4)o3)CC2)n1 C1CC(C1)[*:1] Cc1n[nH]c(n1)C1CCN(CC1)c1nnc(o1)[*:1]
Cc1n[nH]c(C2CCN(c3nnc(C4CCC4)o3)CC2)n1 Cc1n[nH]c(n1)[*:1] C1CC(C1)c1nnc(o1)N1CCC(CC1)[*:1]
CS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@H]1Nc1ccc(Br)cc1 CS(=O)(=O)N[*:1] Brc1ccc(cc1)N[C@@H]1c2cccc3cccc(c23)[C@@H]1[*:1]
CS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@H]1Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@H]1N[*:1]
CS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@H]1Nc1ccc(Br)cc1 Brc1ccc(cc1)N[*:1] CS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@@H]1[*:1]
CC(=O)c1cc(F)c(C)cc1N1CCO[C@H](C)C1 CC(=O)[*:1] Cc1cc(c(cc1F)[*:1])N1CCO[C@H](C)C1
CC(C)(CNC(=O)NC1CCC(CO)CC1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)NC1CCC(CO)CC1)[*:1]
CCO/C=C1\SC(=O)N=C1N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCO/C=C1\SC(=O)N=C1N1N=C(C[C@H]1[*:1])c1ccccc1
CCO/C=C1\SC(=O)N=C1N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 CCO[*:1] O=C1N=C(C(=C[*:1])S1)N1N=C(C[C@@H]1c1ccc(Cl)cc1)c1ccccc1
CCO/C=C1\SC(=O)N=C1N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CCO/C=C1\SC(=O)N=C1N1N=C(C[C@@H]1c1ccc(Cl)cc1)[*:1]
COCCCNC(=O)CN1C(=O)c2cccnc2Oc2ccccc21 COCC[*:1] O=C(CN1C(=O)c2cccnc2Oc2ccccc21)NC[*:1]
COCCCNC(=O)CN1C(=O)c2cccnc2Oc2ccccc21 COCCC[*:1] O=C(CN1C(=O)c2cccnc2Oc2ccccc21)N[*:1]
COCCCNC(=O)CN1C(=O)c2cccnc2Oc2ccccc21 COCCCNC(=O)[*:1] O=C1c2cccnc2Oc2ccccc2N1C[*:1]
COCCCNC(=O)CN1C(=O)c2cccnc2Oc2ccccc21 COC[*:1] O=C(CN1C(=O)c2cccnc2Oc2ccccc21)NCC[*:1]
O=C(NCCCn1cc(C(=O)N2CCCC2)nn1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(c1cn(CCCNC(=O)[*:1])nn1)N1CCCC1
O=C(NCCCn1cc(C(=O)N2CCCC2)nn1)c1ccc(Cl)cc1 O=C(N1CCCC1)[*:1] O=C(NCCCn1cc(nn1)[*:1])c1ccc(Cl)cc1
CCc1cccc(NC(=O)[C@@H](C)N2CCN(c3cc(Cl)ncn3)CC2)c1 Clc1cc(ncn1)[*:1] CCc1cccc(c1)NC(=O)[C@@H](C)N1CCN(CC1)[*:1]
CCc1cccc(NC(=O)[C@@H](C)N2CCN(c3cc(Cl)ncn3)CC2)c1 CCc1cccc(c1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)c1cc(Cl)ncn1
CCC[C@@H](C)N1CCC[NH2+]CC1 CCC[*:1] C[C@@H](N1CCC[NH2+]CC1)[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(O)cc2)N1Cc1ccco1 c1coc(c1)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(O)cc2)N1C[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(O)cc2)N1Cc1ccco1 c1coc(c1)C[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(O)cc2)N1[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(O)cc2)N1Cc1ccco1 c1ccc(cc1)[*:1] O=C1c2[nH]nc(c2[C@@H](c2ccc(O)cc2)N1Cc1ccco1)[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(O)cc2)N1Cc1ccco1 Oc1ccc(cc1)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](N1Cc1ccco1)[*:1]
C[C@@H]1CCC/C(=N\NC(=S)Nc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCC/C(C1)=N\NC(=S)N[*:1]
COCCNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 C1CC1[*:1] COCCNC(=O)Cn1nc(cc1[*:1])C(F)(F)F
COCCNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 COC[*:1] O=C(Cn1nc(cc1C1CC1)C(F)(F)F)NC[*:1]
COCCNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 FC(F)(F)[*:1] COCCNC(=O)Cn1nc(cc1C1CC1)[*:1]
COCCNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 COCC[*:1] O=C(Cn1nc(cc1C1CC1)C(F)(F)F)N[*:1]
CCOc1ccc(Cl)c(C(=O)N(C)c2cccc3ncccc23)n1 CCO[*:1] CN(C(=O)c1nc(ccc1Cl)[*:1])c1cccc2ncccc12
NC(=O)c1nc(-c2ccccc2Cl)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1 Clc1ccccc1[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1)[*:1]
NC(=O)c1nc(-c2ccccc2Cl)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1 NC(=O)[*:1] O=c1[nH]c2c(nc(nc2n1-c1ccc(Cl)cc1)-c1ccccc1Cl)[*:1]
NC(=O)c1nc(-c2ccccc2Cl)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2[*:1])-c1ccccc1Cl
C[NH+](C)CCCN(C(=O)Cc1cccs1)c1nc2ccc(Cl)cc2s1 c1csc(c1)[*:1] C[NH+](C)CCCN(C(=O)C[*:1])c1nc2ccc(Cl)cc2s1
C[NH+](C)CCCN(C(=O)Cc1cccs1)c1nc2ccc(Cl)cc2s1 c1csc(c1)C[*:1] C[NH+](C)CCCN(C(=O)[*:1])c1nc2ccc(Cl)cc2s1
Cc1cc(C(=O)N[C@H](C)Cn2nc(C)cc2C)c2cccc(C)c2n1 Cc1cc(C)n(C[*:1])n1 Cc1cc(C(=O)N[C@H](C)[*:1])c2cccc(C)c2n1
Cc1cc(C(=O)N[C@H](C)Cn2nc(C)cc2C)c2cccc(C)c2n1 Cc1cc(C)n(n1)[*:1] Cc1cc(C(=O)N[C@H](C)C[*:1])c2cccc(C)c2n1
Cc1cccc(C)c1NC(=S)N/N=C1\C2CN3CCN(C2)CC1(c1ccccc1)C3 Cc1cccc(C)c1[*:1] S=C(N/N=C1\C2CN3CCN(C2)CC1(C3)c1ccccc1)N[*:1]
Cc1cccc(C)c1NC(=S)N/N=C1\C2CN3CCN(C2)CC1(c1ccccc1)C3 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=S)N/N=C1\C2CN3CCN(C2)CC1(C3)[*:1]
Cc1ccc(NC(=S)N(Cc2ccc(F)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=c1[nH]c2cc3OCOc3cc2cc1CN(Cc1ccc(F)cc1)C(=S)N[*:1]
Cc1ccc(NC(=S)N(Cc2ccc(F)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c(C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(NC(=S)N(Cc2cc3cc4OCOc4cc3[nH]c2=O)C[*:1])c(C)c1
Cc1ccc(NC(=S)N(Cc2ccc(F)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c(C)c1 Fc1ccc(cc1)C[*:1] Cc1ccc(NC(=S)N(Cc2cc3cc4OCOc4cc3[nH]c2=O)[*:1])c(C)c1
COc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1O Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1O)CN1CCN(CC1)[*:1]
CC(=O)C1=C(C)C(C(=O)CSc2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12
CC(=O)C1=C(C)C(C(=O)CSc2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)=N[C@H]1C c1ccc(cc1)[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)CSc1nnc2n(C[*:1])c(=O)c3ccccc3n12
CC(=O)C1=C(C)C(C(=O)CSc2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)=N[C@H]1C c1ccc(cc1)C[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)CSc1nnc2n(c(=O)c3ccccc3n12)[*:1]
Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 FC(F)(F)c1cccc(c1)[*:1] Cc1cnc(nc1[C@@H]1CCCN(C1)C(=O)[*:1])SC[C@@H]1CCCO1
Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 C1CO[C@@H](C1)[*:1] Cc1cnc(nc1[C@@H]1CCCN(C1)C(=O)c1cccc(c1)C(F)(F)F)SC[*:1]
Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] Cc1cnc(nc1[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1])SC[C@@H]1CCCO1
CCOC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)N2CCOCC2)c1C Cc1ccccc1[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc(C(=O)N2CCOCC2)c1C
CCOC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)N2CCOCC2)c1C CCOC(=O)[*:1] Cc1ccccc1C(=O)Nc1sc(C(=O)N2CCOCC2)c(C)c1[*:1]
CCOC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)N2CCOCC2)c1C O=C(N1CCOCC1)[*:1] CCOC(=O)c1c(NC(=O)c2ccccc2C)sc(c1C)[*:1]
CCN(C(=O)NCc1cn(-c2ccccc2)nn1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)NCc1cn(nn1)-c1ccccc1)[*:1]
CCN(C(=O)NCc1cn(-c2ccccc2)nn1)C1CCCCC1 c1ccc(cc1)[*:1] CCN(C(=O)NCc1cn(nn1)[*:1])C1CCCCC1
O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(c1cccnc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 c1cncc(c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
O=C(NCCc1cccs1)c1ccccc1-c1ncc(-c2ccccc2)o1 c1csc(c1)[*:1] O=C(NCC[*:1])c1ccccc1-c1ncc(o1)-c1ccccc1
O=C(NCCc1cccs1)c1ccccc1-c1ncc(-c2ccccc2)o1 c1csc(c1)CC[*:1] O=C(N[*:1])c1ccccc1-c1ncc(o1)-c1ccccc1
O=C(NCCc1cccs1)c1ccccc1-c1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(NCCc1cccs1)c1ccccc1-c1ncc(o1)[*:1]
O=C(NCCc1cccs1)c1ccccc1-c1ncc(-c2ccccc2)o1 c1csc(c1)C[*:1] O=C(NC[*:1])c1ccccc1-c1ncc(o1)-c1ccccc1
O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1 Fc1ccccc1[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)N[C@H]1CC[NH2+]C1
O=C(CNC(=O)c1ccccc1Cl)N/N=C\c1cccc(Cl)c1 Clc1ccccc1[*:1] O=C(CNC(=O)[*:1])N/N=C\c1cccc(Cl)c1
O=C(CNC(=O)c1ccccc1Cl)N/N=C\c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CNC(=O)c1ccccc1Cl)NN=C[*:1]
C=C(Cl)Cc1ccc(C(=O)OCC)s1 C=C(Cl)[*:1] CCOC(=O)c1ccc(C[*:1])s1
C=C(Cl)Cc1ccc(C(=O)OCC)s1 C=C(Cl)C[*:1] CCOC(=O)c1ccc(s1)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@H]2CCCO2)c1C C1CO[C@@H](C1)C[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@H]2CCCO2)c1C C1CO[C@@H](C1)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)NC[*:1]
Cc1c(Cl)cccc1NC(=O)Cn1nnc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1C Clc1cc(Cl)cc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)Cn1nnc(C(=O)N[*:1])c1C
Cc1c(Cl)cccc1NC(=O)Cn1nnc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1C Cc1c(Cl)cccc1[*:1] Cc1c(nnn1CC(=O)N[*:1])C(=O)Nc1cc(Cl)cc(Cl)c1
COc1cccc2c1OC[C@@H](NS(=O)(=O)N(C)C(C)C)C2 CC(C)[*:1] COc1cccc2C[C@@H](COc21)NS(=O)(=O)N(C)[*:1]
CC[C@@H](CS)CN1C(=O)COc2ccc(Cl)cc21 CC[C@@H](CS)C[*:1] O=C1COc2ccc(Cl)cc2N1[*:1]
CCCn1ccc2cc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCCC3)ccc21 C1CCN(CC1)[*:1] CCCn1ccc2cc(ccc21)NC(=O)c1cc(ccc1[*:1])S(=O)(=O)N(C)C
CCCn1ccc2cc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCCC3)ccc21 CN(C)S(=O)(=O)[*:1] CCCn1ccc2cc(ccc21)NC(=O)c1cc(ccc1N1CCCCC1)[*:1]
CCCn1ccc2cc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCCC3)ccc21 CCC[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)C(=O)Nc1ccc2c(ccn2[*:1])c1)N1CCCCC1
Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C2OCCO2)C1 C1COC(O1)[*:1] Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C1)[*:1]
COc1ccc([C@H](NC(=O)Nc2c(C)cccc2C(C)C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)Nc1c(C)cccc1C(C)C)[*:1]
COc1ccc([C@H](NC(=O)Nc2c(C)cccc2C(C)C)C2CCOCC2)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](NC(=O)Nc1c(C)cccc1[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)Nc2c(C)cccc2C(C)C)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1NC(=O)N[C@H](C1CCOCC1)[*:1])C(C)C
COc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CO)CC2)cc1 OC[C@H](O)C[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C(C)C)C2)cc1 CC(=O)NC[*:1] CC(C)C(=O)N1CC[C@@H](C1)[NH2+][C@H](C)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C(C)C)C2)cc1 CC(=O)N[*:1] CC(C)C(=O)N1CC[C@@H](C1)[NH2+][C@H](C)c1ccc(cc1)CC[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C(C)C)C2)cc1 CC(C)[*:1] CC(=O)NCCc1ccc(cc1)[C@@H](C)[NH2+][C@H]1CCN(C1)C(=O)[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C(C)C)C2)cc1 CC(=O)NCC[*:1] CC(C)C(=O)N1CC[C@@H](C1)[NH2+][C@H](C)c1ccc(cc1)[*:1]
Cc1cccc(-c2cccc(CNC(=O)CCc3ccccn3)c2)c1 c1ccc(CC[*:1])nc1 Cc1cccc(c1)-c1cccc(c1)CNC(=O)[*:1]
Cc1cccc(-c2cccc(CNC(=O)CCc3ccccn3)c2)c1 c1ccc(C[*:1])nc1 Cc1cccc(c1)-c1cccc(c1)CNC(=O)C[*:1]
Cc1cccc(-c2cccc(CNC(=O)CCc3ccccn3)c2)c1 Cc1cccc(c1)[*:1] O=C(CCc1ccccn1)NCc1cccc(c1)[*:1]
Cc1cccc(-c2cccc(CNC(=O)CCc3ccccn3)c2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)-c1cccc(c1)CNC(=O)CC[*:1]
Nc1ccc(CC(=O)[O-])cc1I O=C([O-])[*:1] Nc1ccc(cc1I)C[*:1]
Nc1ccc(CC(=O)[O-])cc1I O=C([O-])C[*:1] Nc1ccc(cc1I)[*:1]
O=C(CCc1cccc(F)c1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 Fc1cccc(c1)C[*:1] O=C(C[*:1])Nc1n[nH]c2ccc(cc12)[N+](=O)[O-]
O=C(CCc1cccc(F)c1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 Fc1cccc(c1)[*:1] O=C(CC[*:1])Nc1n[nH]c2ccc(cc12)[N+](=O)[O-]
O=C(CCc1cccc(F)c1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(CCc1cccc(F)c1)Nc1n[nH]c2ccc(cc12)[*:1]
CC(C)CN(C(=O)Cc1ccccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)C[*:1] CC(C)CN(C(=O)Cc1ccccc1Cl)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CC(C)CN(C(=O)Cc1ccccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)[*:1] CC(C)CN(C(=O)Cc1ccccc1Cl)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CC(C)CN(C(=O)Cc1ccccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O Clc1ccccc1[*:1] CC(C)CN(C(=O)C[*:1])c1c(N)n(CC(C)C)c(=O)[nH]c1=O
CC(C)CN(C(=O)Cc1ccccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O Clc1ccccc1C[*:1] CC(C)CN(C(=O)[*:1])c1c(N)n(CC(C)C)c(=O)[nH]c1=O
CC(C)CN(C(=O)Cc1ccccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)C[*:1] CC(C)Cn1c(N)c(c(=O)[nH]c1=O)N(C(=O)Cc1ccccc1Cl)[*:1]
CC(C)CN(C(=O)Cc1ccccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)[*:1] CC(C)Cn1c(N)c(c(=O)[nH]c1=O)N(C[*:1])C(=O)Cc1ccccc1Cl
C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 CC(C)(C)OC(=O)N[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@H](c1ccccc1)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@H](NC(=O)O[*:1])c1ccccc1
C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@H](NC(=O)OC(C)(C)C)[*:1]
Cc1cc(-c2cncc(C(=O)[O-])c2)ccc1F O=C([O-])[*:1] Cc1cc(ccc1F)-c1cncc(c1)[*:1]
O=C(CCn1nnnc1C[NH+]1CCOCC1)N1CCC[C@@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(CCn1nnnc1C[NH+]1CCOCC1)N1CCC[C@@H](C1)[*:1]
COC(=O)c1cc2c(cc1NC(=O)c1c(C)nn(-c3ccccc3)c1-n1cccc1)OCO2 COC(=O)[*:1] Cc1nn(-c2ccccc2)c(c1C(=O)Nc1cc2OCOc2cc1[*:1])-n1cccc1
COC(=O)c1cc2c(cc1NC(=O)c1c(C)nn(-c3ccccc3)c1-n1cccc1)OCO2 c1ccc(cc1)[*:1] COC(=O)c1cc2OCOc2cc1NC(=O)c1c(C)nn(c1-n1cccc1)[*:1]
COC(=O)c1cc2c(cc1NC(=O)c1c(C)nn(-c3ccccc3)c1-n1cccc1)OCO2 c1ccn(c1)[*:1] COC(=O)c1cc2OCOc2cc1NC(=O)c1c(C)nn(-c2ccccc2)c1[*:1]
Cc1ccc(Cn2c([C@H]3CC(=O)N(C4CCCCC4)C3)nc3ccccc32)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(Cn2c([C@H]3CC(=O)N(C4CCCCC4)C3)nc3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](CN1C1CCCCC1)c1nc2ccccc2n1C[*:1]
Cc1ccc(Cn2c([C@H]3CC(=O)N(C4CCCCC4)C3)nc3ccccc32)cc1 Cc1ccc(cc1)C[*:1] O=C1C[C@@H](CN1C1CCCCC1)c1nc2ccccc2n1[*:1]
C[NH+]1CCN(CCCNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 Clc1cccc(c1)[*:1] C[NH+]1CCN(CCCNC(=O)c2nnc(s2)C(=O)N[*:1])CC1
CCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)[*:1]
CCCCC1CCC(CNC(=O)NCc2ncn(C)n2)CC1 Cn1cnc(n1)[*:1] CCCCC1CCC(CC1)CNC(=O)NC[*:1]
CCCCC1CCC(CNC(=O)NCc2ncn(C)n2)CC1 CCC[*:1] Cn1cnc(CNC(=O)NCC2CCC(CC2)C[*:1])n1
CCCCC1CCC(CNC(=O)NCc2ncn(C)n2)CC1 Cn1cnc(C[*:1])n1 CCCCC1CCC(CC1)CNC(=O)N[*:1]
CCCCC1CCC(CNC(=O)NCc2ncn(C)n2)CC1 CCCC[*:1] Cn1cnc(CNC(=O)NCC2CCC(CC2)[*:1])n1
Cc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1ccc2ccccc2n1 Cc1ccccc1[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)c1ccc2ccccc2n1
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NNC(=O)c1ccc(Cl)cc1)C2 Clc1ccc(cc1)[*:1] C=C1C(C)(C)[C@H]2CC[C@@]1(C2)C(=O)NNC(=O)[*:1]
C[C@H](Cn1cncn1)C(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 c1ccc(cc1)C[*:1] C[C@H](Cn1cncn1)C(=O)N[C@@H](c1ccc2OCCOc2c1)[*:1]
C[C@H](Cn1cncn1)C(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 c1ncn(n1)[*:1] C[C@H](C[*:1])C(=O)N[C@@H](Cc1ccccc1)c1ccc2OCCOc2c1
C[C@H](Cn1cncn1)C(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 c1ncn(C[*:1])n1 C[C@H](C(=O)N[C@@H](Cc1ccccc1)c1ccc2OCCOc2c1)[*:1]
C[C@H](Cn1cncn1)C(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@H](Cn1cncn1)C(=O)N[C@@H](C[*:1])c1ccc2OCCOc2c1
CC[C@@H](C#N)[C@H](O)c1ccc(CC(C)C)cc1 CC(C)[*:1] CC[C@@H](C#N)[C@H](O)c1ccc(cc1)C[*:1]
CC[C@@H](C#N)[C@H](O)c1ccc(CC(C)C)cc1 CC(C)C[*:1] CC[C@@H](C#N)[C@H](O)c1ccc(cc1)[*:1]
C/C(=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccncc1 c1cc(ccn1)[*:1] CC(=NNC(=O)c1cc(n[nH]1)-c1ccc(F)cc1)[*:1]
C/C(=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccncc1 Fc1ccc(cc1)[*:1] C/C(=N/NC(=O)c1cc(n[nH]1)[*:1])c1ccncc1
NC(=O)c1cnc(-c2ccccc2)n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O c1cc2OCCOc2cc1[*:1] NC(=O)c1cnc(-c2ccccc2)n(CC(=O)N[*:1])c1=O
NC(=O)c1cnc(-c2ccccc2)n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O c1ccc(cc1)[*:1] NC(=O)c1cnc(n(CC(=O)Nc2ccc3OCCOc3c2)c1=O)[*:1]
NC(=O)c1cnc(-c2ccccc2)n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O NC(=O)[*:1] O=C(Cn1c(ncc(c1=O)[*:1])-c1ccccc1)Nc1ccc2OCCOc2c1
CO[C@@H]1CC[C@@H]2OCCN(C(=O)C=C3CCSCC3)[C@@H]2C1 C(=C1CCSCC1)[*:1] CO[C@@H]1CC[C@@H]2OCCN(C(=O)[*:1])[C@@H]2C1
Cc1cc(NC(=O)NCc2ccc(Cl)nc2)ccc1-n1cnnn1 Clc1ccc(cn1)C[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)N[*:1]
Cc1cc(NC(=O)NCc2ccc(Cl)nc2)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])NC(=O)NCc1ccc(Cl)nc1
Cc1cc(NC(=O)NCc2ccc(Cl)nc2)ccc1-n1cnnn1 Clc1ccc(cn1)[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)NC[*:1]
O=C(C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccccc1)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] O=C(C[C@@H](C(=O)Nc1ccc2OCCOc2c1)C(=O)c1ccccc1)N[*:1]
O=C(C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccccc1)NC1CCCCCCC1 O=C(NC1CCCCCCC1)[*:1] O=C(Nc1ccc2OCCOc2c1)[C@H](C[*:1])C(=O)c1ccccc1
O=C(C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccccc1)NC1CCCCCCC1 c1cc2OCCOc2cc1[*:1] O=C(C[C@@H](C(=O)N[*:1])C(=O)c1ccccc1)NC1CCCCCCC1
O=C(C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccccc1)NC1CCCCCCC1 O=C(c1ccccc1)[*:1] O=C(C[C@@H](C(=O)Nc1ccc2OCCOc2c1)[*:1])NC1CCCCCCC1
O=C(C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccccc1)NC1CCCCCCC1 c1ccc(cc1)[*:1] O=C(C[C@@H](C(=O)Nc1ccc2OCCOc2c1)C(=O)[*:1])NC1CCCCCCC1
Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1cccs1)N[*:1]
Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)c1 c1csc(c1)[*:1] Cc1cccc(c1)NC(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCc1ccncc1)c1cc2cc([N+](=O)[O-])ccc2s1 c1cc(ccn1)[*:1] O=C(NC[*:1])c1cc2cc(ccc2s1)[N+](=O)[O-]
O=C(NCc1ccncc1)c1cc2cc([N+](=O)[O-])ccc2s1 c1cc(ccn1)C[*:1] O=C(N[*:1])c1cc2cc(ccc2s1)[N+](=O)[O-]
O=C(NCc1ccncc1)c1cc2cc([N+](=O)[O-])ccc2s1 O=[N+]([O-])[*:1] O=C(NCc1ccncc1)c1cc2cc(ccc2s1)[*:1]
CCC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCC(C)CC1 c1ccc(cc1)[*:1] CCC(=O)N(Cc1ccco1)Cc1c(noc1N1CCC(C)CC1)[*:1]
CCC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCC(C)CC1 CC1CCN(CC1)[*:1] CCC(=O)N(Cc1ccco1)Cc1c(noc1[*:1])-c1ccccc1
CCC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCC(C)CC1 c1coc(c1)[*:1] CCC(=O)N(Cc1c(noc1N1CCC(C)CC1)-c1ccccc1)C[*:1]
CCC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCC(C)CC1 c1coc(c1)C[*:1] CCC(=O)N(Cc1c(noc1N1CCC(C)CC1)-c1ccccc1)[*:1]
Cc1c[nH]c(C(=O)N2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 CC(C)[*:1] Cc1c[nH]c(c1)C(=O)N1CCN(C(=O)C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
Cc1c[nH]c(C(=O)N2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 CC(C)C[*:1] Cc1c[nH]c(c1)C(=O)N1CCN(C(=O)[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
Cc1c[nH]c(C(=O)N2CCN(C(=O)CC(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 Cc1c[nH]c(c1)[*:1] CC(C)CC(=O)N1CCN(C(=O)[*:1])[C@H]2CS(=O)(=O)C[C@H]21
COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1nn2c3C[C@H](CC(=O)c3cnc2c1-c1ccccc1)[*:1]
COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1CC(=O)c2cnc3c(c(C)nn3c2C1)[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 CNC(=O)[*:1] O=C(CNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)N1CCC[C@H]1[*:1]
Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)nn12 c1ccc(cc1)O[*:1] Cc1ccnc2nc(nn12)C(=O)O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)nn12 c1ccc(cc1)[*:1] Cc1ccnc2nc(nn12)C(=O)O[C@H](C)C(=O)Nc1ccc(cc1)O[*:1]
O=C(/C=C/c1cnccn1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 c1cnc(cn1)[*:1] O=C(C=C[*:1])N(C[C@@H]1CCCO1)[C@@H]1CCSC1
O=C(/C=C/c1cnccn1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@@H](C1)C[*:1] O=C(/C=C/c1cnccn1)N([C@@H]1CCSC1)[*:1]
O=C(/C=C/c1cnccn1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@@H](C1)[*:1] O=C(/C=C/c1cnccn1)N(C[*:1])[C@@H]1CCSC1
O=C(/C=C/c1cnccn1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] O=C(/C=C/c1cnccn1)N(C[C@@H]1CCCO1)[*:1]
CNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccc(cc1)[*:1]
CNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] CNC(=O)/C(=C/C=C[*:1])NC(=O)c1ccc(cc1)[N+](=O)[O-]
CNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 C(=C[*:1])c1ccccc1 CNC(=O)C(=C[*:1])NC(=O)c1ccc(cc1)[N+](=O)[O-]
CNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 CNC(=O)[*:1] O=C(N/C(=C\C=C/c1ccccc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CCc1noc(CC)c1CNC(=O)C(O)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCc1noc(CC)c1CNC(=O)C(O)(c1ccccc1)[*:1]
COC(=O)c1cccc(-c2cnc(Cl)cc2C(=O)[O-])c1 COC(=O)[*:1] O=C([O-])c1cc(Cl)ncc1-c1cccc(c1)[*:1]
COC(=O)c1cccc(-c2cnc(Cl)cc2C(=O)[O-])c1 O=C([O-])[*:1] COC(=O)c1cccc(c1)-c1cnc(Cl)cc1[*:1]
COc1ccc(CC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 COc1ccc(cc1)C[*:1] O=C(NC1CCCCC1)c1cc(ccc1Cl)NC(=O)[*:1]
COc1ccc(CC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(Cl)c(c1)C(=O)N[*:1]
COc1ccc(CC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 O=C(NC1CCCCC1)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1ccc(CC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(Cl)c(c1)C(=O)NC1CCCCC1
C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC C=CC[*:1] COc1cc(cc(Br)c1O[*:1])[C@@H]1C(C#N)=C(N)Oc2cc3OCOc3cc21
C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC C=CCO[*:1] COc1cc(cc(Br)c1[*:1])[C@@H]1C(C#N)=C(N)Oc2cc3OCOc3cc21
C[NH+](C)CCn1cc(NC(=O)NCCc2cccc(F)c2)cn1 Fc1cccc(c1)[*:1] C[NH+](C)CCn1cc(cn1)NC(=O)NCC[*:1]
C/C=C/C=C/C(=O)NC[C@H]1CCS(=O)(=O)C1 CC=C[*:1] O=C(C=C[*:1])NC[C@H]1CCS(=O)(=O)C1
C/C=C/C=C/C(=O)NC[C@H]1CCS(=O)(=O)C1 C/C=C/C=C[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(C(=O)NCc2ccc(C(N)=O)o2)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)NCc1ccc(o1)C(N)=O
Cc1ccc(C(=O)NCc2ccc(C(N)=O)o2)cc1S(=O)(=O)N1CCCCC1 NC(=O)c1ccc(o1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)NC[*:1]
Cc1ccc(C(=O)NCc2ccc(C(N)=O)o2)cc1S(=O)(=O)N1CCCCC1 NC(=O)c1ccc(C[*:1])o1 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N[*:1]
Cc1ccc(C(=O)NCc2ccc(C(N)=O)o2)cc1S(=O)(=O)N1CCCCC1 NC(=O)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)NCc1ccc(o1)[*:1]
CCn1c([C@@H](C)[NH2+][C@H](C)CCN2CCOCC2)nc2ccccc21 C1CN(CCO1)[*:1] CCn1c(nc2ccccc21)[C@@H](C)[NH2+][C@H](C)CC[*:1]
CCn1c([C@@H](C)[NH2+][C@H](C)CCN2CCOCC2)nc2ccccc21 C1CN(CCO1)CC[*:1] CCn1c(nc2ccccc21)[C@@H](C)[NH2+][C@H](C)[*:1]
CCn1c([C@@H](C)[NH2+][C@H](C)CCN2CCOCC2)nc2ccccc21 C1CN(CCO1)C[*:1] CCn1c(nc2ccccc21)[C@@H](C)[NH2+][C@H](C)C[*:1]
Cc1ccc(CNC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)o1 Cc1ccc(C[*:1])o1 O=C(N[*:1])c1ccc(cc1)NC(=O)N1CCSc2ncccc21
Cc1ccc(CNC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)o1 Cc1ccc(o1)[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)N1CCSc2ncccc21
O=S1(=O)C[C@H]([C@@H](CCl)c2ccc(Cl)cc2)c2ccccc21 Clc1ccc(cc1)[*:1] O=S1(=O)C[C@@H](c2ccccc21)[C@@H](CCl)[*:1]
CN(CCc1ccccc1)C(=O)NC[C@H]1CCCO1 c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)NC[C@H]1CCCO1
CN(CCc1ccccc1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CN(CCc1ccccc1)C(=O)N[*:1]
CN(CCc1ccccc1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CN(CCc1ccccc1)C(=O)NC[*:1]
COc1cc(OC)c(/C=N/N2C(=S)[NH+]=N[C@H]2c2ccc(Cl)cc2)c(OC)c1 Clc1ccc(cc1)[*:1] COc1cc(OC)c(/C=N/N2C(=S)[NH+]=N[C@@H]2[*:1])c(c1)OC
C/C(=N/NC(=O)c1cncc(Br)c1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C/C(=N/NC(=O)c1cncc(Br)c1)c1ccc(cc1)[*:1]
C/C(=N/NC(=O)c1cncc(Br)c1)c1ccc(C(C)(C)C)cc1 Brc1cncc(c1)[*:1] C/C(=N/NC(=O)[*:1])c1ccc(cc1)C(C)(C)C
CCC[C@@H](C)[C@H]1[NH+]=C2C[C@H](C)CCN2C1=[NH2+] CCC[*:1] C[C@@H]1CCN2C(=[NH2+])[C@H]([NH+]=C2C1)[C@H](C)[*:1]
CCC[C@@H](C)[C@H]1[NH+]=C2C[C@H](C)CCN2C1=[NH2+] CCC[C@@H](C)[*:1] C[C@@H]1CCN2C(=[NH2+])[C@H]([NH+]=C2C1)[*:1]
Cc1nc(-c2cccc(C(=O)N3C[C@@H]4CC[C@H]3C4)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(c1cccc(c1)[*:1])N1C[C@@H]2CC[C@H]1C2
CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCCC(=O)N1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 CCC[*:1] Cc1ccc(cc1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)C(=O)[*:1]
CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 Cc1ccc(cc1)C[*:1] CCCC(=O)N1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1Nn2c(C)nnc2S[C@H]1C(=O)N[*:1]
COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] Cc1nnc2S[C@@H](C(=O)Nc3ccc(F)cc3)[C@@H](Nn12)[*:1]
COc1cccc(OCCn2c([C@H]3CC(=O)N(C4CCCCC4)C3)nc3ccccc32)c1 C1CCC(CC1)[*:1] COc1cccc(c1)OCCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
COc1cccc(OCCn2c([C@H]3CC(=O)N(C4CCCCC4)C3)nc3ccccc32)c1 COc1cccc(c1)[*:1] O=C1C[C@@H](CN1C1CCCCC1)c1nc2ccccc2n1CCO[*:1]
COc1cccc(OCCn2c([C@H]3CC(=O)N(C4CCCCC4)C3)nc3ccccc32)c1 COc1cccc(c1)O[*:1] O=C1C[C@@H](CN1C1CCCCC1)c1nc2ccccc2n1CC[*:1]
COc1cccc(OCCn2c([C@H]3CC(=O)N(C4CCCCC4)C3)nc3ccccc32)c1 COc1cccc(c1)OC[*:1] O=C1C[C@@H](CN1C1CCCCC1)c1nc2ccccc2n1C[*:1]
CC(C)S(=O)(=O)Cc1cccc(NC(=O)N2[C@@H](C)C[C@H]3CCCC[C@@H]32)c1 CC(C)S(=O)(=O)C[*:1] C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(c1)[*:1]
CC(C)S(=O)(=O)Cc1cccc(NC(=O)N2[C@@H](C)C[C@H]3CCCC[C@@H]32)c1 CC(C)[*:1] C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(c1)CS(=O)(=O)[*:1]
CC(C)S(=O)(=O)Cc1cccc(NC(=O)N2[C@@H](C)C[C@H]3CCCC[C@@H]32)c1 CC(C)S(=O)(=O)[*:1] C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(c1)C[*:1]
CC(C)(C)c1noc(CCC(=O)OCC(=O)N2CCCC2)n1 O=C(N1CCCC1)[*:1] CC(C)(C)c1noc(CCC(=O)OC[*:1])n1
CC(C)(C)c1noc(CCC(=O)OCC(=O)N2CCCC2)n1 CC(C)(C)[*:1] O=C(CCc1nc(no1)[*:1])OCC(=O)N1CCCC1
CCN1C[C@H](C(=O)NCc2ccncc2)CC1=O c1cc(ccn1)[*:1] CCN1C[C@@H](CC1=O)C(=O)NC[*:1]
C[C@@H](c1ccccc1)n1c(=C(C#N)C#N)s/c(=C/c2ccco2)c1=O c1ccc(cc1)[*:1] C[C@@H](n1c(s/c(=C/c2ccco2)c1=O)=C(C#N)C#N)[*:1]
C[C@@H](c1ccccc1)n1c(=C(C#N)C#N)s/c(=C/c2ccco2)c1=O C[C@@H](c1ccccc1)[*:1] N#CC(C#N)=c1s/c(=C/c2ccco2)c(=O)n1[*:1]
C[C@@H](c1ccccc1)n1c(=C(C#N)C#N)s/c(=C/c2ccco2)c1=O c1coc(c1)[*:1] C[C@@H](c1ccccc1)n1c(sc(=C[*:1])c1=O)=C(C#N)C#N
C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)c1ccccc1Cl c1cc2CCCc2cc1[*:1] C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1])c1ccccc1Cl
C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)c1ccccc1Cl C[C@@H](c1ccccc1Cl)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2CCCc2c1
C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc2CCCc2c1)[*:1]
Cc1cccc2c(C(=O)N(C)CCc3ccccn3)cc(-c3cnn(C)c3)nc12 c1ccc(nc1)[*:1] Cc1cccc2c(cc(nc12)-c1cnn(C)c1)C(=O)N(C)CC[*:1]
Cc1cccc2c(C(=O)N(C)CCc3ccccn3)cc(-c3cnn(C)c3)nc12 c1ccc(CC[*:1])nc1 Cc1cccc2c(cc(nc12)-c1cnn(C)c1)C(=O)N(C)[*:1]
Cc1cccc2c(C(=O)N(C)CCc3ccccn3)cc(-c3cnn(C)c3)nc12 c1ccc(C[*:1])nc1 Cc1cccc2c(cc(nc12)-c1cnn(C)c1)C(=O)N(C)C[*:1]
Cc1cccc2c(C(=O)N(C)CCc3ccccn3)cc(-c3cnn(C)c3)nc12 Cn1cc(cn1)[*:1] Cc1cccc2c(cc(nc12)[*:1])C(=O)N(C)CCc1ccccn1
O=C(CC[S@@](=O)c1ccccc1)NC(=O)NCC(F)(F)F c1ccc(cc1)[*:1] O=C(CC[S@@](=O)[*:1])NC(=O)NCC(F)(F)F
O=C(CC[S@@](=O)c1ccccc1)NC(=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(CC[S@@](=O)c1ccccc1)NC(=O)NC[*:1]
O=C(CC[S@@](=O)c1ccccc1)NC(=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CC[S@@](=O)c1ccccc1)NC(=O)N[*:1]
O=C1C(=O)N(CCC[NH+]2CCOCC2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 c1ccc(cc1)[*:1] O=C1C(=O)N(CCC[NH+]2CCOCC2)[C@@H](/C1=C(\O)c1ccccc1)[*:1]
O=C1C(=O)N(CCC[NH+]2CCOCC2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 c1ccc(cc1)[*:1] O=C1C(=O)N(CCC[NH+]2CCOCC2)[C@H](/C1=C(\O)[*:1])c1ccccc1
CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)Cc2cn3ccsc3n2)cs1 Cc1cccc(c1)[*:1] CC(=O)N(c1nc(cs1)COC(=O)Cc1cn2ccsc2n1)[*:1]
CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)Cc2cn3ccsc3n2)cs1 c1cn2cc(C[*:1])nc2s1 CC(=O)N(c1cccc(C)c1)c1nc(cs1)COC(=O)[*:1]
CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)Cc2cn3ccsc3n2)cs1 c1cn2cc(nc2s1)[*:1] CC(=O)N(c1cccc(C)c1)c1nc(cs1)COC(=O)C[*:1]
CC(=O)c1cc2c(cc1NC(=O)C[NH+]1CCN(Cc3nc4ccccc4s3)CC1)OCO2 c1ccc2sc(nc2c1)[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)C[NH+]1CCN(CC1)C[*:1]
CC(=O)c1cc2c(cc1NC(=O)C[NH+]1CCN(Cc3nc4ccccc4s3)CC1)OCO2 CC(=O)[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc2ccccc2s1)Nc1cc2OCOc2cc1[*:1]
CC(=O)c1cc2c(cc1NC(=O)C[NH+]1CCN(Cc3nc4ccccc4s3)CC1)OCO2 c1ccc2sc(C[*:1])nc2c1 CC(=O)c1cc2OCOc2cc1NC(=O)C[NH+]1CCN(CC1)[*:1]
CCOc1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)C(=O)Nc1cnn(c1)[*:1]
CCOc1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)Nc1cnn(c1)C[*:1]
CCOc1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1 CCO[*:1] O=C(Nc1cnn(c1)Cc1ccccc1)c1ccc(cc1)[*:1]
COc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)c(OC)n1 O=C1CCCN1[*:1] COc1ccc(C(=O)N2CCC(CC2)C[*:1])c(n1)OC
COc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)c(OC)n1 O=C1CCCN1C[*:1] COc1ccc(C(=O)N2CCC(CC2)[*:1])c(n1)OC
Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2cccc(NS(C)(=O)=O)c2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H](Nc1cccc(c1)NS(C)(=O)=O)C(=O)N[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2cccc(NS(C)(=O)=O)c2)c1 CS(=O)(=O)N[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](C)Nc1cccc(c1)[*:1]
COc1ccc(NC(=O)N(C)Cc2ccccc2)cc1OC1CCCC1 c1ccc(cc1)C[*:1] COc1ccc(cc1OC1CCCC1)NC(=O)N(C)[*:1]
COc1ccc(NC(=O)N(C)Cc2ccccc2)cc1OC1CCCC1 c1ccc(cc1)[*:1] COc1ccc(cc1OC1CCCC1)NC(=O)N(C)C[*:1]
COc1ccc(NC(=O)N(C)Cc2ccccc2)cc1OC1CCCC1 C1CCC(C1)[*:1] COc1ccc(cc1O[*:1])NC(=O)N(C)Cc1ccccc1
COc1ccc(NC(=O)N(C)Cc2ccccc2)cc1OC1CCCC1 C1CCC(C1)O[*:1] COc1ccc(cc1[*:1])NC(=O)N(C)Cc1ccccc1
COCc1cnc2c(c1SCC(=O)Nc1ccc(F)cc1)c(=O)n(C)c(=O)n2C COC[*:1] Cn1c(=O)c2c(SCC(=O)Nc3ccc(F)cc3)c(cnc2n(C)c1=O)[*:1]
COCc1cnc2c(c1SCC(=O)Nc1ccc(F)cc1)c(=O)n(C)c(=O)n2C Fc1ccc(cc1)[*:1] COCc1cnc2c(c1SCC(=O)N[*:1])c(=O)n(C)c(=O)n2C
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ncccc1C Cc1cccnc1C[*:1] C#CCOc1ccc(F)cc1NC(=O)C(=O)N[*:1]
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ncccc1C C#CC[*:1] Cc1cccnc1CNC(=O)C(=O)Nc1cc(F)ccc1O[*:1]
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ncccc1C C#CCO[*:1] Cc1cccnc1CNC(=O)C(=O)Nc1cc(F)ccc1[*:1]
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ncccc1C Cc1cccnc1[*:1] C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[*:1]
COc1ccc(SCC(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)SCC(=O)N(C[*:1])c1nc2ccc(F)cc2s1
COc1ccc(SCC(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 COc1ccc(cc1)[*:1] O=C(CS[*:1])N(Cc1ccccn1)c1nc2ccc(F)cc2s1
COc1ccc(SCC(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 Fc1ccc2nc(sc2c1)[*:1] COc1ccc(cc1)SCC(=O)N(Cc1ccccn1)[*:1]
COc1ccc(SCC(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 c1ccc(C[*:1])nc1 COc1ccc(cc1)SCC(=O)N(c1nc2ccc(F)cc2s1)[*:1]
COc1ccc(SCC(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 COc1ccc(cc1)S[*:1] O=C(C[*:1])N(Cc1ccccn1)c1nc2ccc(F)cc2s1
COc1ccc(SCC(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 COc1ccc(cc1)SC[*:1] O=C(N(Cc1ccccn1)c1nc2ccc(F)cc2s1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)[C@H]1Cc2ccccc2C(=O)O1 C[C@@H](C1CC1)[*:1] CN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)[C@H]1Cc2ccccc2C(=O)O1 C1CC1[*:1] C[C@@H](N(C)C(=O)[C@H]1Cc2ccccc2C(=O)O1)[*:1]
Cc1cc(C)cc(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 Cc1cc(C)cc(c1)[*:1] O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cc(cc(c1)[N+](=O)[O-])O[*:1]
Cc1cc(C)cc(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 Cc1cc(C)cc(c1)O[*:1] O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cc(cc(c1)[*:1])[N+](=O)[O-]
Cc1cc(C)cc(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)Oc1cc(cc(c1)[*:1])N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O
O=C1C[C@@H](C(=O)N2CCC[C@@H](O)C2)CN1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1CC[*:1])C(=O)N1CCC[C@@H](O)C1
O=C1C[C@@H](C(=O)N2CCC[C@@H](O)C2)CN1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCC[C@@H](O)C1
O=S(=O)(Cc1ccc(F)c(F)c1)Cc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=S(=O)(Cc1ccc(F)c(F)c1)Cc1cc(on1)[*:1]
O=S(=O)(Cc1ccc(F)c(F)c1)Cc1cc(-c2ccccc2)on1 Fc1ccc(cc1F)[*:1] O=S(=O)(Cc1cc(on1)-c1ccccc1)C[*:1]
N#Cc1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 N#Cc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])Nc1ccc(F)c(F)c1F
CCOc1ccccc1C(=O)N(Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 COc1cccc(c1)[*:1] CCOc1ccccc1C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCOc1ccccc1C(=O)N(Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 COc1cccc(c1)C[*:1] CCOc1ccccc1C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCOc1ccccc1C(=O)N(Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 CCOc1ccccc1[*:1] COc1cccc(c1)CN(C(=O)[*:1])[C@H]1CCS(=O)(=O)C1
CCOc1ccccc1C(=O)N(Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 CCO[*:1] COc1cccc(c1)CN(C(=O)c1ccccc1[*:1])[C@H]1CCS(=O)(=O)C1
O=C(OCc1nnsc1Cl)c1cccc(N2CCCS2(=O)=O)c1 Clc1snnc1C[*:1] O=C(O[*:1])c1cccc(c1)N1CCCS1(=O)=O
O=C(OCc1nnsc1Cl)c1cccc(N2CCCS2(=O)=O)c1 Clc1snnc1[*:1] O=C(OC[*:1])c1cccc(c1)N1CCCS1(=O)=O
O=C(OCc1nnsc1Cl)c1cccc(N2CCCS2(=O)=O)c1 O=S1(=O)CCCN1[*:1] O=C(OCc1nnsc1Cl)c1cccc(c1)[*:1]
CS(=O)(=O)N1CCN(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 C1CCC(C1)[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)CN1C(=O)C(=O)N(C1=O)[*:1]
Cc1ccc(NC(=O)CCNC(=O)Cc2coc(-c3ccccc3)n2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(Cc1coc(n1)-c1ccccc1)NCCC(=O)N[*:1]
Cc1ccc(NC(=O)CCNC(=O)Cc2coc(-c3ccccc3)n2)c(Cl)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)CCNC(=O)Cc2coc(n2)[*:1])c(Cl)c1
CC[C@@H](Nc1nccs1)c1cccc([N+](=O)[O-])c1 c1csc(n1)N[*:1] CC[C@@H](c1cccc(c1)[N+](=O)[O-])[*:1]
CC[C@@H](Nc1nccs1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](Nc1nccs1)c1cccc(c1)[*:1]
CC[C@@H](Nc1nccs1)c1cccc([N+](=O)[O-])c1 c1csc(n1)[*:1] CC[C@@H](N[*:1])c1cccc(c1)[N+](=O)[O-]
COc1ccc(F)c(NC(=O)[C@@H](C)NC(=O)c2ccco2)c1 c1coc(c1)[*:1] COc1ccc(F)c(c1)NC(=O)[C@@H](C)NC(=O)[*:1]
O=C([O-])CC1(C(=O)[O-])CCCCCC1 O=C([O-])[*:1] O=C([O-])CC1(CCCCCC1)[*:1]
O=C([O-])CC1(C(=O)[O-])CCCCCC1 O=C([O-])C[*:1] O=C([O-])C1(CCCCCC1)[*:1]
O=C([O-])CC1(C(=O)[O-])CCCCCC1 O=C([O-])[*:1] O=C([O-])C1(CCCCCC1)C[*:1]
Cc1[nH+]cnc(N2CCC3(CCC(=O)N(C[C@@H](C)O)C3)CC2)c1C C[C@@H](O)C[*:1] Cc1[nH+]cnc(c1C)N1CCC2(CCC(=O)N(C2)[*:1])CC1
Cc1[nH+]cnc(N2CCC3(CCC(=O)N(C[C@@H](C)O)C3)CC2)c1C C[C@@H](O)[*:1] Cc1[nH+]cnc(c1C)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
O=C(CNC(=O)c1n[nH]c2ccccc12)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CNC(=O)c1n[nH]c2ccccc12)N[*:1]
COc1cccc(N2C[C@@H](NS(=O)(=O)c3cccnc3)CC2=O)c1 COc1cccc(c1)[*:1] O=C1C[C@@H](CN1[*:1])NS(=O)(=O)c1cccnc1
COc1cccc(N2C[C@@H](NS(=O)(=O)c3cccnc3)CC2=O)c1 c1cncc(c1)[*:1] COc1cccc(c1)N1C[C@H](CC1=O)NS(=O)(=O)[*:1]
C[C@@H](OC1=C[C@H]2[NH+]=c3ccccc3=C2C=C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](OC1C=CC2=c3ccccc3=[NH+][C@@H]2C=1)C(=O)Nc1ccc(cc1)[*:1]
NC1=NC(=O)[C@](Cc2cccc(Cl)c2)(c2ccc(Br)cc2)N1 Clc1cccc(c1)[*:1] NC1=NC(=O)[C@@](C[*:1])(N1)c1ccc(Br)cc1
NC1=NC(=O)[C@](Cc2cccc(Cl)c2)(c2ccc(Br)cc2)N1 Brc1ccc(cc1)[*:1] NC1=NC(=O)[C@](Cc2cccc(Cl)c2)(N1)[*:1]
C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)CO1 O=[N+]([O-])[*:1] C[C@H]1CN(C/C=C/c2ccccc2[*:1])[C@H](C)CO1
C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 O=[N+]([O-])[*:1] C[C@@H]1CCN(c2ncc(cc2Cl)[*:1])[C@H](C)C1
O=C(CCC1CCCC1)N1CCC(COc2ccccc2C(=O)N2CCCC2)CC1 C1CCC(C1)C[*:1] O=C(C[*:1])N1CCC(CC1)COc1ccccc1C(=O)N1CCCC1
O=C(CCC1CCCC1)N1CCC(COc2ccccc2C(=O)N2CCCC2)CC1 C1CCC(C1)[*:1] O=C(CC[*:1])N1CCC(CC1)COc1ccccc1C(=O)N1CCCC1
O=C(CCC1CCCC1)N1CCC(COc2ccccc2C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] O=C(CCC1CCCC1)N1CCC(CC1)COc1ccccc1[*:1]
O=C(CCC1CCCC1)N1CCC(COc2ccccc2C(=O)N2CCCC2)CC1 C1CCC(C1)CC[*:1] O=C(c1ccccc1OCC1CCN(CC1)C(=O)[*:1])N1CCCC1
CN(C(=O)Nc1cccc(N)c1)C1CC1 C1CC1[*:1] CN(C(=O)Nc1cccc(N)c1)[*:1]
Cc1ccc(NC(=O)[C@@H](Sc2nnnn2C[C@@H]2CCCO2)C(C)C)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)NC(=O)[C@@H](Sc1nnnn1[*:1])C(C)C
Cc1ccc(NC(=O)[C@@H](Sc2nnnn2C[C@@H]2CCCO2)C(C)C)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](Sc1nnnn1C[*:1])C(C)C
Cc1ccc(NC(=O)[C@@H](Sc2nnnn2C[C@@H]2CCCO2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](Sc1nnnn1C[C@@H]1CCCO1)[*:1]
Cc1ccc(NC(=O)[C@@H](Sc2nnnn2C[C@@H]2CCCO2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)N[*:1]
CS[C@H](C)C[NH2+][C@H]1c2ccccc2C[C@H]1C CS[C@H](C)[*:1] C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[*:1]
CCCC[C@H](NC(=O)C(=O)Nc1cc(C)cc2cccnc12)C1CCC1 CCC[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](C[*:1])C2CCC2)c2ncccc2c1
CCCC[C@H](NC(=O)C(=O)Nc1cc(C)cc2cccnc12)C1CCC1 CCCC[*:1] Cc1cc(NC(=O)C(=O)N[C@H](C2CCC2)[*:1])c2ncccc2c1
CCCC[C@H](NC(=O)C(=O)Nc1cc(C)cc2cccnc12)C1CCC1 C1CC(C1)[*:1] CCCC[C@H](NC(=O)C(=O)Nc1cc(C)cc2cccnc12)[*:1]
CC(C)=Nn1cnc2c1=NC(C)(C)NC=2C(N)=O NC(=O)[*:1] CC(C)=Nn1cnc2=C(NC(C)(C)N=c21)[*:1]
COc1ccc(OC)c(-c2csc(Nc3cnn(C)c3)n2)c1 Cn1cc(cn1)[*:1] COc1ccc(OC)c(c1)-c1csc(n1)N[*:1]
COc1ccc(OC)c(-c2csc(Nc3cnn(C)c3)n2)c1 Cn1cc(cn1)N[*:1] COc1ccc(OC)c(c1)-c1csc(n1)[*:1]
COCC1(C(=O)N(C)[C@@H](C)c2ccon2)CCC1 COC[*:1] C[C@@H](c1ccon1)N(C)C(=O)C1(CCC1)[*:1]
COCC1(C(=O)N(C)[C@@H](C)c2ccon2)CCC1 c1cc(no1)[*:1] COCC1(CCC1)C(=O)N(C)[C@@H](C)[*:1]
COc1ccc(NC(=O)CSc2ccc(-c3ccccc3OC)nn2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1-c1ccc(nn1)SCC(=O)N[*:1]
COc1ccc(NC(=O)CSc2ccc(-c3ccccc3OC)nn2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)NC(=O)CSc1ccc(nn1)[*:1]
CC1(C)CO[C@H](c2ccccc2)CN1S(=O)(=O)CCC1CC1 c1ccc(cc1)[*:1] CC1(C)CO[C@H](CN1S(=O)(=O)CCC1CC1)[*:1]
CC1(C)CO[C@H](c2ccccc2)CN1S(=O)(=O)CCC1CC1 C1CC1C[*:1] CC1(C)CO[C@@H](CN1S(=O)(=O)C[*:1])c1ccccc1
CC1(C)CO[C@H](c2ccccc2)CN1S(=O)(=O)CCC1CC1 C1CC1[*:1] CC1(C)CO[C@@H](CN1S(=O)(=O)CC[*:1])c1ccccc1
CC1(C)CO[C@H](c2ccccc2)CN1S(=O)(=O)CCC1CC1 C1CC1CC[*:1] CC1(C)CO[C@@H](CN1S(=O)(=O)[*:1])c1ccccc1
CC(C)Sc1ccccc1C(=O)NCc1ccccn1 CC(C)S[*:1] O=C(NCc1ccccn1)c1ccccc1[*:1]
CC(C)Sc1ccccc1C(=O)NCc1ccccn1 CC(C)[*:1] O=C(NCc1ccccn1)c1ccccc1S[*:1]
CC(C)Sc1ccccc1C(=O)NCc1ccccn1 c1ccc(nc1)[*:1] CC(C)Sc1ccccc1C(=O)NC[*:1]
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1cccc(N2CCCC2=O)c1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])Nc1cccc(c1)N1CCCC1=O
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1cccc(N2CCCC2=O)c1 c1cc(ccn1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])Nc1cccc(c1)N1CCCC1=O
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1cccc(c1)[*:1]
O=C(CCCn1ccnn1)NC[C@H](O)c1ccc2ccccc2c1 c1cn(C[*:1])nn1 O=C(CC[*:1])NC[C@H](O)c1ccc2ccccc2c1
O=C(CCCn1ccnn1)NC[C@H](O)c1ccc2ccccc2c1 c1cn(CC[*:1])nn1 O=C(C[*:1])NC[C@H](O)c1ccc2ccccc2c1
O=C(CCCn1ccnn1)NC[C@H](O)c1ccc2ccccc2c1 c1cn(CCC[*:1])nn1 O=C(NC[C@H](O)c1ccc2ccccc2c1)[*:1]
O=C(CCCn1ccnn1)NC[C@H](O)c1ccc2ccccc2c1 c1cn(nn1)[*:1] O=C(CCC[*:1])NC[C@H](O)c1ccc2ccccc2c1
COCc1cccc(C(=O)Oc2ccc(C)cc2[N+](=O)[O-])c1 COC[*:1] Cc1ccc(OC(=O)c2cccc(c2)[*:1])c(c1)[N+](=O)[O-]
COCc1cccc(C(=O)Oc2ccc(C)cc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COCc1cccc(c1)C(=O)Oc1ccc(C)cc1[*:1]
COC(=O)[C@@H]1CCCCN1CC(=O)N1CCCc2cc(OC)ccc21 COC(=O)[*:1] COc1ccc2c(c1)CCCN2C(=O)CN1CCCC[C@H]1[*:1]
CCc1ccc(NC(=O)CN2C(=O)C(c3ccc(C(C)(C)C)cc3)=NC2(C)C)cc1 CC(C)(C)c1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)CN1C(=O)C(=NC1(C)C)[*:1]
CCc1ccc(NC(=O)CN2C(=O)C(c3ccc(C(C)(C)C)cc3)=NC2(C)C)cc1 CCc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C1=NC(C)(C)N(CC(=O)N[*:1])C1=O
CCc1ccc(NC(=O)CN2C(=O)C(c3ccc(C(C)(C)C)cc3)=NC2(C)C)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)NC(=O)CN1C(=O)C(=NC1(C)C)c1ccc(cc1)[*:1]
C=CCn1/c(=N/S(=O)(=O)c2cccs2)sc2c(OC)ccc(OC)c21 C=CC[*:1] COc1ccc(OC)c2c1s/c(=N\S(=O)(=O)c1cccs1)n2[*:1]
C=CCn1/c(=N/S(=O)(=O)c2cccs2)sc2c(OC)ccc(OC)c21 c1csc(c1)[*:1] C=CCn1/c(=N/S(=O)(=O)[*:1])sc2c(ccc(OC)c21)OC
CCN(CC(C)(C)O)c1nsnc1Cl CC(C)(O)[*:1] CCN(C[*:1])c1nsnc1Cl
CCC(=O)N1CCc2cc(C(=O)NC[C@@](C)(O)CCC(C)C)ccc21 CC(C)C[*:1] CCC(=O)N1CCc2cc(ccc21)C(=O)NC[C@@](C)(O)C[*:1]
CCC(=O)N1CCc2cc(C(=O)NC[C@@](C)(O)CCC(C)C)ccc21 CC(C)CC[*:1] CCC(=O)N1CCc2cc(ccc21)C(=O)NC[C@@](C)(O)[*:1]
CCC(=O)N1CCc2cc(C(=O)NC[C@@](C)(O)CCC(C)C)ccc21 CC(C)[*:1] CCC(=O)N1CCc2cc(ccc21)C(=O)NC[C@@](C)(O)CC[*:1]
COc1cccc(CN(C)Cc2ncnn2C)c1OC(F)F FC(F)O[*:1] COc1cccc(CN(C)Cc2ncnn2C)c1[*:1]
COc1cccc(CN(C)Cc2ncnn2C)c1OC(F)F Cn1ncnc1[*:1] COc1cccc(CN(C)C[*:1])c1OC(F)F
COc1cccc(CN(C)Cc2ncnn2C)c1OC(F)F FC(F)[*:1] COc1cccc(CN(C)Cc2ncnn2C)c1O[*:1]
COc1cccc(CN(C)Cc2ncnn2C)c1OC(F)F Cn1ncnc1C[*:1] COc1cccc(CN(C)[*:1])c1OC(F)F
C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2OCC#N)[C@@H]1CO N#CC[*:1] C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2O[*:1])[C@@H]1CO
C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2OCC#N)[C@@H]1CO N#CCO[*:1] C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2[*:1])[C@@H]1CO
Cc1ccccc1[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 Cc1ccccc1[*:1] C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C#N)[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1ccccc1[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)[*:1]
CN(CCC#N)S(=O)(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] CN(CCC#N)S(=O)(=O)N1CCC[C@H]1CC(=O)[*:1]
CN(CCC#N)S(=O)(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 N#CC[*:1] CN(C[*:1])S(=O)(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1
CN(CCC#N)S(=O)(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 N#CCC[*:1] CN(S(=O)(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1)[*:1]
CC1([C@]2(C)C(=N)NC(=O)N2C2CC2)CC1 C1CC1[*:1] CC1(CC1)[C@]1(C)C(=N)NC(=O)N1[*:1]
CC1([C@]2(C)C(=N)NC(=O)N2C2CC2)CC1 CC1(CC1)[*:1] C[C@@]1(C(=N)NC(=O)N1C1CC1)[*:1]
O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] O=C(Nc1cccc(Cl)c1)c1cc(no1)[*:1]
O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] O=C(N[*:1])c1cc(no1)-c1cccc(Cl)c1
CCSCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)s1 CCSC[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H](C)c1ccc(Cl)s1
CCSCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)s1 CCS[*:1] C[C@@H](CC[*:1])NC(=O)N[C@@H](C)c1ccc(Cl)s1
CCSCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)s1 CCSCC[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])c1ccc(Cl)s1
CCSCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CCSCC[C@H](C)NC(=O)N[C@@H](C)[*:1]
C[NH+]1CCC(=NNC(=O)C(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] C[NH+]1CCC(CC1)=NNC(=O)C(=O)N[*:1]
CCOC(=O)c1c(NC(=O)c2nn3cccnc3c2Cl)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)c2nn3cccnc3c2Cl)c(c1C)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(C)CCc2cccs2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N(C)CCc1cccs1
Cc1ccc(O[C@@H](C)C(=O)N(C)CCc2cccs2)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N(C)C[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(C)CCc2cccs2)cc1 c1csc(c1)CC[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N(C)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(C)CCc2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N(C)CC[*:1]
C/C(=N\Nc1c([N+](=O)[O-])c(C)nn1C)c1ccc(F)cc1F O=[N+]([O-])[*:1] C/C(=N\Nc1c(c(C)nn1C)[*:1])c1ccc(F)cc1F
CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H]1CO CCS[*:1] O=C(N[C@H]1CCCC[C@@H]1[*:1])N1CCC[C@@H]1CO
O=C(Cc1ccc(F)cc1F)NCCOCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1ccc(F)cc1F)NCCO[*:1]
O=C(Cc1ccc(F)cc1F)NCCOCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1F)NCCOC[*:1]
N#Cc1ccc(C(=O)O[C@@H](c2ccccc2)c2nccs2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)C(=O)O[C@@H](c1nccs1)[*:1]
N#Cc1ccc(C(=O)O[C@@H](c2ccccc2)c2nccs2)cc1 c1csc(n1)[*:1] N#Cc1ccc(cc1)C(=O)O[C@@H](c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2ncc(Br)cc2[nH]1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)CSc1nc2ncc(Br)cc2[nH]1)[*:1]
CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C3)o2)cc1 CN(C)[*:1] O=C([O-])c1ccc(cc1)CN1CC[C@@H](C1)c1nnc(o1)-c1ccc(cc1)[*:1]
CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C3)o2)cc1 O=C([O-])[*:1] CN(C)c1ccc(cc1)-c1nnc(o1)[C@H]1CCN(Cc2ccc(cc2)[*:1])C1
CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C3)o2)cc1 O=C([O-])c1ccc(cc1)[*:1] CN(C)c1ccc(cc1)-c1nnc(o1)[C@H]1CCN(C1)C[*:1]
CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C3)o2)cc1 CN(C)c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)CN1CC[C@@H](C1)c1nnc(o1)[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)CNc2ccc(F)cc2)c1 Fc1ccc(cc1)N[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)C[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)CNc2ccc(F)cc2)c1 CC(C)(C)[*:1] O=C(CNc1ccc(F)cc1)Nc1cccc(c1)C(=O)N[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)CNc2ccc(F)cc2)c1 CC(C)(C)NC(=O)[*:1] O=C(CNc1ccc(F)cc1)Nc1cccc(c1)[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)CNc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)CN[*:1]
COc1cc(CNC(=O)CCc2cccc(F)c2)ccn1 Fc1cccc(c1)[*:1] COc1cc(ccn1)CNC(=O)CC[*:1]
O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1Cc1nc(cs1)[*:1]
CCCCOC[C@@H]([NH3+])c1cc(C)ccc1C CCCC[*:1] Cc1ccc(C)c(c1)[C@H]([NH3+])CO[*:1]
CCCCOC[C@@H]([NH3+])c1cc(C)ccc1C CCC[*:1] Cc1ccc(C)c(c1)[C@H]([NH3+])COC[*:1]
CCCCOC[C@@H]([NH3+])c1cc(C)ccc1C CCCCO[*:1] Cc1ccc(C)c(c1)[C@H]([NH3+])C[*:1]
O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1CCS(=O)(=O)C1 c1cncc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccc(C[NH2+][C@H](C)CO)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C[NH2+][C@H](C)CO
Cc1ccc(/N=C2/C=C([O-])[C@@H](NO)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] [O-]C1=CC(=N[*:1])c2ccccc2[C@@H]1NO
CC[NH2+][C@H](c1ccc(CC)o1)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] CC[NH2+][C@H](c1ccc(CC)o1)[C@H](C)[*:1]
COC(=O)C1(OC)CCOCC1 COC(=O)[*:1] COC1(CCOCC1)[*:1]
CC(C)c1noc(CCNC(=O)/C=C/c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)c1noc(CCNC(=O)C=C[*:1])n1
CC(C)c1noc(CCNC(=O)/C=C/c2ccc(F)cc2)n1 CC(C)[*:1] O=C(/C=C/c1ccc(F)cc1)NCCc1nc(no1)[*:1]
O=C1N[C@]2(COC3(CCN(C(=O)c4ccncc4)CC3)C2)Nc2ccccc21 c1cc(ccn1)[*:1] O=C1N[C@]2(COC3(CCN(CC3)C(=O)[*:1])C2)Nc2ccccc21
CCOC(=O)[C@H]1CCCN(c2nncc(-c3cccc(F)c3)n2)C1 CCOC(=O)[*:1] Fc1cccc(c1)-c1cnnc(n1)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(c2nncc(-c3cccc(F)c3)n2)C1 Fc1cccc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)c1nncc(n1)[*:1]
Cc1cc(=O)[nH]c(-c2cccc(CN3CCN(c4cccc(C)[nH+]4)CC3)c2)n1 Cc1cc(=O)[nH]c(n1)[*:1] Cc1cccc([nH+]1)N1CCN(CC1)Cc1cccc(c1)[*:1]
CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccco1 CCOC(=O)[*:1] O=S(=O)(NCc1ccco1)c1[nH]ncc1[*:1]
CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccco1 c1coc(c1)C[*:1] CCOC(=O)c1cn[nH]c1S(=O)(=O)N[*:1]
CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccco1 c1coc(c1)[*:1] CCOC(=O)c1cn[nH]c1S(=O)(=O)NC[*:1]
COc1cccc(-c2noc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)n2)c1 COc1cccc(c1)[*:1] CN(C)S(=O)(=O)c1ccc(=O)n(c1)Cc1nc(no1)[*:1]
COc1cccc(-c2noc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)n2)c1 CN(C)S(=O)(=O)[*:1] COc1cccc(c1)-c1noc(Cn2cc(ccc2=O)[*:1])n1
N#CCN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1 N#CC[*:1] NC(=O)c1c(NC(=O)CN(c2ccccc2)[*:1])sc2CCCCc21
N#CCN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1 NC(=O)[*:1] N#CCN(CC(=O)Nc1sc2CCCCc2c1[*:1])c1ccccc1
N#CCN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1 c1ccc(cc1)[*:1] N#CCN(CC(=O)Nc1sc2CCCCc2c1C(N)=O)[*:1]
CCOC1CC[NH+](Cc2ccc(F)c(OC)c2)CC1 CCO[*:1] COc1cc(ccc1F)C[NH+]1CCC(CC1)[*:1]
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1I O=[N+]([O-])[*:1] Cc1cc(ccc1I)NC(=O)c1cccc(c1)[*:1]
CC[NH+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC[NH+](CC(=O)Nc1ccc2OCCOc2c1)C[*:1]
CC[NH+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[NH+](CC(=O)Nc1ccc2OCCOc2c1)Cc1cccc(c1)[*:1]
C[NH+](C)Cc1cccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] C[NH+](C)Cc1cccc(c1)C[NH2+]Cc1ccn(n1)[*:1]
CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 CC[C@@H](C)NC(=O)[*:1] O=c1c2sccc2n(C[*:1])c(=O)n1-c1ccccc1
CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 CC[C@@H](C)NC(=O)C[*:1] O=c1c2sccc2n(c(=O)n1-c1ccccc1)[*:1]
CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 CC[C@@H](C)[*:1] O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N[*:1]
Cc1ccc(/C=C/C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)o1 Cc1ccc(C=C[*:1])o1 CC(C)C[C@H](NC(=O)[*:1])C(=O)Nc1nccs1
Cc1ccc(/C=C/C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)o1 CC(C)[*:1] Cc1ccc(/C=C/C(=O)N[C@@H](C[*:1])C(=O)Nc2nccs2)o1
Cc1ccc(/C=C/C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)o1 O=C(Nc1nccs1)[*:1] Cc1ccc(/C=C/C(=O)N[C@@H](CC(C)C)[*:1])o1
Cc1ccc(/C=C/C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)o1 c1csc(n1)[*:1] Cc1ccc(/C=C/C(=O)N[C@@H](CC(C)C)C(=O)N[*:1])o1
Cc1ccc(/C=C/C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)o1 CC(C)C[*:1] Cc1ccc(/C=C/C(=O)N[C@@H](C(=O)Nc2nccs2)[*:1])o1
Cc1ccc(/C=C/C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)o1 Cc1ccc(o1)[*:1] CC(C)C[C@H](NC(=O)C=C[*:1])C(=O)Nc1nccs1
COC(=O)CNC(=O)[C@H](C)N1CC[NH+](C2CCCC2)CC1 COC(=O)[*:1] C[C@@H](C(=O)NC[*:1])N1CC[NH+](CC1)C1CCCC1
COC(=O)CNC(=O)[C@H](C)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] COC(=O)CNC(=O)[C@H](C)N1CC[NH+](CC1)[*:1]
COC(=O)CNC(=O)[C@H](C)N1CC[NH+](C2CCCC2)CC1 COC(=O)C[*:1] C[C@@H](C(=O)N[*:1])N1CC[NH+](CC1)C1CCCC1
CCn1cnnc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl CCn1cnnc1[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[*:1]
CCCN1CC(=O)N(CCC(C)=O)CC1=O CC(=O)CC[*:1] CCCN1CC(=O)N(CC1=O)[*:1]
CCCN1CC(=O)N(CCC(C)=O)CC1=O CC(=O)[*:1] CCCN1CC(=O)N(CC[*:1])CC1=O
CCCN1CC(=O)N(CCC(C)=O)CC1=O CCC[*:1] CC(=O)CCN1CC(=O)N(CC1=O)[*:1]
CCCN1CC(=O)N(CCC(C)=O)CC1=O CC(=O)C[*:1] CCCN1CC(=O)N(CC1=O)C[*:1]
O=C(N[C@H](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccccc1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(C[C@@H](NC(=O)[*:1])c1ccccc1)N1CCC[C@H]2CCCC[C@@H]21
O=C(N[C@H](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccccc1)c1ccccc1Cl c1ccc(cc1)[*:1] O=C(N[C@H](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)[*:1])c1ccccc1Cl
O=C(N[C@H](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccccc1)c1ccccc1Cl O=C(N[*:1])c1ccccc1Cl O=C(C[C@H](c1ccccc1)[*:1])N1CCC[C@H]2CCCC[C@@H]21
CC[C@H](C)N1C(=O)[C@@H](C)NC(=O)C1(C)C CC[C@H](C)[*:1] C[C@H]1NC(=O)C(C)(C)N(C1=O)[*:1]
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(c1)[*:1]
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(c1)O[*:1]
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(OC2CCC2)c1 NC(=O)[*:1] O=C(N[C@H]1CCC[C@H]1[*:1])c1ccnc(c1)OC1CCC1
Cc1ccc(-c2ncccc2C(=O)[O-])c(C)c1 O=C([O-])[*:1] Cc1ccc(c(C)c1)-c1ncccc1[*:1]
CCC(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)c(C)s1 CCC(=O)N[*:1] Cc1sc(nc1-c1ccc2OCC(=O)Nc2c1)[*:1]
CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccc(F)cc1 O=C1NC(=O)C(=C[*:1])S1 CCOc1cc(ccc1OC(=O)c1ccc(F)cc1)[*:1]
CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccc(F)cc1 CCO[*:1] O=C1NC(=O)/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)c(c2)[*:1])S1
CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)[*:1]
CCOC(=O)CCNC(=O)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 c1cc2OCOc2cc1[*:1] CCOC(=O)CCNC(=O)N1CCC[C@@H](C1)C(=O)[*:1]
CCOC(=O)CCNC(=O)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 CCOC(=O)[*:1] O=C(c1ccc2OCOc2c1)[C@H]1CCCN(C1)C(=O)NCC[*:1]
CCOC(=O)CCNC(=O)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 CCOC(=O)CC[*:1] O=C(c1ccc2OCOc2c1)[C@H]1CCCN(C1)C(=O)N[*:1]
CCOC(=O)CCNC(=O)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 CCOC(=O)C[*:1] O=C(c1ccc2OCOc2c1)[C@H]1CCCN(C1)C(=O)NC[*:1]
O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CCN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CCN1C(=O)CS[C@@H]1[*:1]
O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CCN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] O=C1SC(=C[*:1])C(=O)N1CCN1C(=O)CS[C@H]1c1cccc(c1)[N+](=O)[O-]
O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CCN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CCN1C(=O)CS[C@H]1c1cccc(c1)[*:1]
CCOC(=O)N(N=O)[C@H](C)CC CC[C@@H](C)[*:1] CCOC(=O)N(N=O)[*:1]
COc1ccc(CNC(=O)c2csc(NC(C)C)n2)cc1 CC(C)N[*:1] COc1ccc(cc1)CNC(=O)c1csc(n1)[*:1]
COc1ccc(CNC(=O)c2csc(NC(C)C)n2)cc1 CC(C)[*:1] COc1ccc(cc1)CNC(=O)c1csc(n1)N[*:1]
COCCCOc1ccc(C(=O)N2C[C@@H](C)Sc3ccccc32)cc1 COCCC[*:1] C[C@@H]1CN(C(=O)c2ccc(cc2)O[*:1])c2ccccc2S1
COCCCOc1ccc(C(=O)N2C[C@@H](C)Sc3ccccc32)cc1 COC[*:1] C[C@@H]1CN(C(=O)c2ccc(cc2)OCC[*:1])c2ccccc2S1
COCCCOc1ccc(C(=O)N2C[C@@H](C)Sc3ccccc32)cc1 COCC[*:1] C[C@@H]1CN(C(=O)c2ccc(cc2)OC[*:1])c2ccccc2S1
COCCCOc1ccc(C(=O)N2C[C@@H](C)Sc3ccccc32)cc1 COCCCO[*:1] C[C@@H]1CN(C(=O)c2ccc(cc2)[*:1])c2ccccc2S1
O=C(Nc1nccs1)C1CCN(C(=O)NCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Nc1nccs1)C1CCN(CC1)C(=O)N[*:1]
O=C(Nc1nccs1)C1CCN(C(=O)NCc2ccccc2)CC1 O=C(Nc1nccs1)[*:1] O=C(NCc1ccccc1)N1CCC(CC1)[*:1]
O=C(Nc1nccs1)C1CCN(C(=O)NCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1nccs1)C1CCN(CC1)C(=O)NC[*:1]
O=C(Nc1nccs1)C1CCN(C(=O)NCc2ccccc2)CC1 c1csc(n1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)NCc1ccccc1
CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 CC(C)(C)C(=O)N[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1]
CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
O=C([O-])C1CCN(C(=O)CCN2C(=O)[C@H]3Cc4ccccc4CN3C2=O)CC1 O=C([O-])[*:1] O=C(CCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O)N1CCC(CC1)[*:1]
COC(=O)Cc1ccc(OCC(=O)N2CCCC2)cc1 COC(=O)C[*:1] O=C(COc1ccc(cc1)[*:1])N1CCCC1
COC(=O)Cc1ccc(OCC(=O)N2CCCC2)cc1 COC(=O)[*:1] O=C(COc1ccc(cc1)C[*:1])N1CCCC1
CCCCc1[nH]cc([C@H]2CC(=O)N[C@@H]3[C@@H]2C=NN3Cc2ccco2)[nH+]1 c1coc(c1)[*:1] CCCCc1[nH]cc([nH+]1)[C@H]1CC(=O)N[C@@H]2[C@@H]1C=NN2C[*:1]
CCCCc1[nH]cc([C@H]2CC(=O)N[C@@H]3[C@@H]2C=NN3Cc2ccco2)[nH+]1 CCCC[*:1] O=C1C[C@H](c2c[nH]c([nH+]2)[*:1])[C@H]2C=NN(Cc3ccco3)[C@@H]2N1
CCCCc1[nH]cc([C@H]2CC(=O)N[C@@H]3[C@@H]2C=NN3Cc2ccco2)[nH+]1 CCC[*:1] O=C1C[C@H](c2c[nH]c(C[*:1])[nH+]2)[C@H]2C=NN(Cc3ccco3)[C@@H]2N1
CCCCc1[nH]cc([C@H]2CC(=O)N[C@@H]3[C@@H]2C=NN3Cc2ccco2)[nH+]1 c1coc(c1)C[*:1] CCCCc1[nH]cc([nH+]1)[C@H]1CC(=O)N[C@@H]2[C@@H]1C=NN2[*:1]
CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 CCS(=O)(=O)C[*:1] C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[*:1]
CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 CCS(=O)(=O)[*:1] C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[*:1]
CC1(C)OC(=O)C(C/C=C/c2ccco2)C(=O)O1 c1coc(c1)[*:1] CC1(C)OC(=O)C(CC=C[*:1])C(=O)O1
Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(C#N)cc2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNC(=O)c1ccc(C#N)cc1)C[*:1]
C/[NH+]=C(/NCC(C)C)N1CCC[C@@H](C)C1 CC(C)C[*:1] C/[NH+]=C(/N[*:1])N1CCC[C@@H](C)C1
C/[NH+]=C(/NCC(C)C)N1CCC[C@@H](C)C1 CC(C)[*:1] C/[NH+]=C(/NC[*:1])N1CCC[C@@H](C)C1
C[C@H](Sc1nc2ccccc2s1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nc2ccccc2s1)C(=O)[*:1]
Cn1ccnc1S(=O)(=O)CC(=O)N1CCC[C@H]1c1cccs1 Cn1ccnc1[*:1] O=C(CS(=O)(=O)[*:1])N1CCC[C@H]1c1cccs1
Cn1ccnc1S(=O)(=O)CC(=O)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] Cn1ccnc1S(=O)(=O)CC(=O)N1CCC[C@@H]1[*:1]
O=C(CN1CCCCCC1=O)NCCc1ccc(C(F)(F)F)cc1 O=C1CCCCCN1[*:1] O=C(C[*:1])NCCc1ccc(cc1)C(F)(F)F
O=C(CN1CCCCCC1=O)NCCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CN1CCCCCC1=O)NCCc1ccc(cc1)[*:1]
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1[nH+]cccc1[O-] O=[N+]([O-])[*:1] O=C(Cc1cn(nc1-c1ccc(cc1)[*:1])-c1ccccc1)Nc1[nH+]cccc1[O-]
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1[nH+]cccc1[O-] c1ccc(cc1)[*:1] O=C(Cc1cn(nc1-c1ccc(cc1)[N+](=O)[O-])[*:1])Nc1[nH+]cccc1[O-]
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1[nH+]cccc1[O-] O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Cc1cn(nc1[*:1])-c1ccccc1)Nc1[nH+]cccc1[O-]
CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2n1 CC(C)[*:1] CC(C)S(=O)(=O)N1CCC(CC1)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2n1 FC(F)(F)[*:1] CC(C)c1cc(n2nc(cc2n1)C1CCN(CC1)S(=O)(=O)C(C)C)[*:1]
CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(S(=O)(=O)C(C)C)CC3)cc2n1 CC(C)[*:1] CC(C)c1cc(n2nc(cc2n1)C1CCN(CC1)S(=O)(=O)[*:1])C(F)(F)F
COc1ccc(CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1C O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1C)CC(=O)Nc1ncc(s1)S(=O)(=O)[*:1]
COc1ccc(CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1C O=[N+]([O-])[*:1] COc1ccc(cc1C)CC(=O)Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1C COc1ccc(cc1C)[*:1] O=C(C[*:1])Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
COc1ccc(CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1C COc1ccc(cc1C)C[*:1] O=C(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)cc1 Fc1cccc(c1)C[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1ccc(=O)n(c1)[*:1]
CCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(=O)n(c1)Cc1cccc(F)c1
CCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)cc1 Fc1cccc(c1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1ccc(=O)n(c1)C[*:1]
CC(C)(CNC(=O)c1cc(F)cc2[nH]cnc12)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)c1cc(F)cc2[nH]cnc12)[*:1]
C[C@H](Sc1nncn1C)C(=O)N1CCN(c2ncccc2F)CC1 Cn1cnnc1S[*:1] C[C@H](C(=O)N1CCN(CC1)c1ncccc1F)[*:1]
C[C@H](Sc1nncn1C)C(=O)N1CCN(c2ncccc2F)CC1 Cn1cnnc1[*:1] C[C@H](S[*:1])C(=O)N1CCN(CC1)c1ncccc1F
C[C@H](Sc1nncn1C)C(=O)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] C[C@H](Sc1nncn1C)C(=O)N1CCN(CC1)[*:1]
C[C@H]1CC[C@@H](C)C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H]1CC[C@@H](C)C[C@H]1C(=O)OCC(=O)[*:1]
C[C@@H](C(=O)NCCc1ccc[nH]1)c1c(F)cccc1F c1c[nH]c(c1)C[*:1] C[C@@H](C(=O)NC[*:1])c1c(F)cccc1F
C[C@@H](C(=O)NCCc1ccc[nH]1)c1c(F)cccc1F c1c[nH]c(c1)[*:1] C[C@@H](C(=O)NCC[*:1])c1c(F)cccc1F
O=C(NCCNc1ccc(-n2cccc2)nn1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NCCNc1ccc(nn1)-n1cccc1)[*:1]
O=C(NCCNc1ccc(-n2cccc2)nn1)c1ccncc1 c1ccn(c1)[*:1] O=C(NCCNc1ccc(nn1)[*:1])c1ccncc1
Cc1nc2sccn2c1C(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] Cc1nc2sccn2c1C(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)no1 Cc1cc(no1)[*:1] NC(=O)c1cc(sc1NC(=O)[*:1])-c1ccccc1
Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)no1 c1ccc(cc1)[*:1] Cc1cc(no1)C(=O)Nc1sc(cc1C(N)=O)[*:1]
Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)no1 NC(=O)[*:1] Cc1cc(no1)C(=O)Nc1sc(cc1[*:1])-c1ccccc1
COc1cccc(/C=N/NC(=O)C[C@@H](C)O)c1 C[C@@H](O)[*:1] COc1cccc(/C=N/NC(=O)C[*:1])c1
COc1cccc(/C=N/NC(=O)C[C@@H](C)O)c1 C[C@@H](O)C[*:1] COc1cccc(/C=N/NC(=O)[*:1])c1
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2Cl)s1 Clc1ccccc1[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]1[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2Cl)s1 Cc1nc(C)c(s1)C(=O)[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C([C@@H]1c1ccccc1Cl)[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2Cl)s1 Cc1nc(C)c(s1)[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccc1Cl
CC(C)Nc1cccc(CNC(=O)N(C)CCN2CCOCC2)c1 C1CN(CCO1)C[*:1] CC(C)Nc1cccc(c1)CNC(=O)N(C)C[*:1]
CC(C)Nc1cccc(CNC(=O)N(C)CCN2CCOCC2)c1 C1CN(CCO1)[*:1] CC(C)Nc1cccc(c1)CNC(=O)N(C)CC[*:1]
CC(C)Nc1cccc(CNC(=O)N(C)CCN2CCOCC2)c1 CC(C)N[*:1] CN(CCN1CCOCC1)C(=O)NCc1cccc(c1)[*:1]
CC(C)Nc1cccc(CNC(=O)N(C)CCN2CCOCC2)c1 C1CN(CCO1)CC[*:1] CC(C)Nc1cccc(c1)CNC(=O)N(C)[*:1]
CC(C)Nc1cccc(CNC(=O)N(C)CCN2CCOCC2)c1 CC(C)[*:1] CN(CCN1CCOCC1)C(=O)NCc1cccc(c1)N[*:1]
N#CCCCCNC(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F N#CCC[*:1] O=C(NCC[*:1])N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F
N#CCCCCNC(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] N#CCCCCNC(=O)N[C@H]1CCC[C@H]1c1ccccc1[*:1]
N#CCCCCNC(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F N#CC[*:1] O=C(NCCC[*:1])N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F
N#CCCCCNC(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F N#CCCC[*:1] O=C(NC[*:1])N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F
N#CCCCCNC(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F N#CCCCC[*:1] O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)N[*:1]
O=C1[C@H]2CCC[C@@H]2N1CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C1[C@H]2CCC[C@@H]2N1CN([C@@H]1CCS(=O)(=O)C1)[*:1]
CCNc1nc(NCC)nc(Nc2ccc(C)c(C)c2)n1 CCN[*:1] CCNc1nc(nc(n1)[*:1])Nc1ccc(C)c(C)c1
CCOC[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1 CCO[*:1] C[C@H](C[*:1])Nc1ccc(cn1)C(=O)N(C)C
CCOC[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1 CN(C)C(=O)[*:1] CCOC[C@@H](C)Nc1ccc(cn1)[*:1]
CCOC[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1 CCOC[C@@H](C)[*:1] CN(C)C(=O)c1ccc(nc1)N[*:1]
CCOC[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1 CCOC[*:1] C[C@@H](Nc1ccc(cn1)C(=O)N(C)C)[*:1]
Cc1cccc(-n2ncc3c(O)nc(SCC(N)=O)nc32)c1C NC(=O)[*:1] Cc1cccc(c1C)-n1ncc2c(O)nc(nc21)SC[*:1]
Cc1cccc(-n2ncc3c(O)nc(SCC(N)=O)nc32)c1C NC(=O)C[*:1] Cc1cccc(c1C)-n1ncc2c(O)nc(nc21)S[*:1]
Cc1cccc(-n2ncc3c(O)nc(SCC(N)=O)nc32)c1C NC(=O)CS[*:1] Cc1cccc(c1C)-n1ncc2c(O)nc(nc21)[*:1]
Cc1csc(-n2nnc(C(=O)Nc3cccnc3Cl)c2C)n1 Clc1ncccc1[*:1] Cc1csc(n1)-n1nnc(C(=O)N[*:1])c1C
Cc1csc(-n2nnc(C(=O)Nc3cccnc3Cl)c2C)n1 Cc1csc(n1)[*:1] Cc1c(nnn1[*:1])C(=O)Nc1cccnc1Cl
NC(=O)CSSCC(N)=O NC(=O)[*:1] NC(=O)CSSC[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)CNC(=O)[*:1]
Cc1ccc(Cl)c(OS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1 Cc1ccc(Cl)c(c1)[*:1] O=c1c(Cl)c(Cl)cnn1-c1ccc(cc1)S(=O)(=O)O[*:1]
Cc1ccc(Cl)c(OS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1 O=c1c(Cl)c(Cl)cnn1[*:1] Cc1ccc(Cl)c(c1)OS(=O)(=O)c1ccc(cc1)[*:1]
CC1(C)CC(=O)C(C)(CCc2ccccc2)C(=O)C1 c1ccc(cc1)[*:1] CC1(C)CC(=O)C(C)(CC[*:1])C(=O)C1
CC(C)c1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n[nH]1 CC(C)[*:1] O=C(Nc1ccc(cc1)C[NH+]1CCCC1)c1cc([nH]n1)[*:1]
Cc1cc(-c2cccc(-c3cc[nH]n3)c2)ccc1NC(=O)c1cccnc1 c1cc(n[nH]1)[*:1] Cc1cc(ccc1NC(=O)c1cccnc1)-c1cccc(c1)[*:1]
Cc1cc(-c2cccc(-c3cc[nH]n3)c2)ccc1NC(=O)c1cccnc1 O=C(N[*:1])c1cccnc1 Cc1cc(ccc1[*:1])-c1cccc(c1)-c1cc[nH]n1
Cc1cc(-c2cccc(-c3cc[nH]n3)c2)ccc1NC(=O)c1cccnc1 c1cncc(c1)[*:1] Cc1cc(ccc1NC(=O)[*:1])-c1cccc(c1)-c1cc[nH]n1
CC(C)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1 CC(C)[*:1] O=C(OCC[NH2+][*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)[NH2+]CCOC(=O)c1ccc(cc1)[*:1]
COc1ccccc1OCCn1c(-c2ccccc2)noc1=O c1ccc(cc1)[*:1] COc1ccccc1OCCn1c(noc1=O)[*:1]
CCOc1ccc(-c2nnc(NC(=O)c3cc(C)oc3C)o2)cc1 Cc1cc(c(C)o1)[*:1] CCOc1ccc(cc1)-c1nnc(NC(=O)[*:1])o1
CCOc1ccc(-c2nnc(NC(=O)c3cc(C)oc3C)o2)cc1 CCO[*:1] Cc1cc(C(=O)Nc2nnc(o2)-c2ccc(cc2)[*:1])c(C)o1
C[C@@]1(CSc2ccccc2C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)NC(=O)NC1=O c1cc2OCCc2cc1C[*:1] C[C@@]1(CSc2ccccc2C(=O)N2CCN(CC2)[*:1])NC(=O)NC1=O
C[C@@]1(CSc2ccccc2C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)NC(=O)NC1=O c1cc2OCCc2cc1[*:1] C[C@@]1(CSc2ccccc2C(=O)N2CCN(CC2)C[*:1])NC(=O)NC1=O
COc1cccc(CNC(=O)Cn2ncc3c4ccccc4n(Cc4ccc(Cl)cc4)c3c2=O)c1 COc1cccc(c1)[*:1] O=C(Cn1ncc2c3ccccc3n(Cc3ccc(Cl)cc3)c2c1=O)NC[*:1]
COc1cccc(CNC(=O)Cn2ncc3c4ccccc4n(Cc4ccc(Cl)cc4)c3c2=O)c1 COc1cccc(c1)C[*:1] O=C(Cn1ncc2c3ccccc3n(Cc3ccc(Cl)cc3)c2c1=O)N[*:1]
COc1cccc(CNC(=O)Cn2ncc3c4ccccc4n(Cc4ccc(Cl)cc4)c3c2=O)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)Cn1ncc2c3ccccc3n(C[*:1])c2c1=O
COc1cccc(CNC(=O)Cn2ncc3c4ccccc4n(Cc4ccc(Cl)cc4)c3c2=O)c1 Clc1ccc(cc1)C[*:1] COc1cccc(c1)CNC(=O)Cn1ncc2c3ccccc3n(c2c1=O)[*:1]
Cc1nc(C)c(CC(=O)NCC(C)(C)c2ccccc2Cl)c(=O)[nH]1 Clc1ccccc1[*:1] Cc1nc(C)c(CC(=O)NCC(C)(C)[*:1])c(=O)[nH]1
CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(CO)n1C1CC1 CC(C)n1nccc1[*:1] C[C@@H](Sc1nnc(CO)n1C1CC1)C(=O)N[*:1]
CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(CO)n1C1CC1 CC(C)[*:1] C[C@@H](Sc1nnc(CO)n1C1CC1)C(=O)Nc1ccnn1[*:1]
CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(CO)n1C1CC1 C1CC1[*:1] CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(CO)n1[*:1]
CCc1nn(C)cc1C[NH2+]Cc1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] CCc1nn(C)cc1C[NH2+]Cc1ccc(cc1)NC(=O)[*:1]
CCc1nn(C)cc1C[NH2+]Cc1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] CCc1nn(C)cc1C[NH2+]Cc1ccc(cc1)[*:1]
COC(=O)NCC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 COC(=O)N[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)C[*:1]
COC(=O)NCC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 COC(=O)NC[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)[*:1]
Cc1ccc(I)c(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c1 Cc1ccc(I)c(c1)[*:1] C[C@@H](NC(=O)[*:1])c1nc(cs1)-c1ccccc1
Cc1ccc(I)c(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c1 c1ccc(cc1)[*:1] Cc1ccc(I)c(c1)C(=O)N[C@H](C)c1nc(cs1)[*:1]
CCc1cc2ccccc2c(=O)n1CC(=O)[O-] O=C([O-])[*:1] CCc1cc2ccccc2c(=O)n1C[*:1]
CCc1cc2ccccc2c(=O)n1CC(=O)[O-] O=C([O-])C[*:1] CCc1cc2ccccc2c(=O)n1[*:1]
CCC(CC)[C@@H](CNC(=O)c1[nH]nc(C)c1Br)N1CCOCC1 Cc1n[nH]c(c1Br)[*:1] CCC(CC)[C@@H](CNC(=O)[*:1])N1CCOCC1
CCC(CC)[C@@H](CNC(=O)c1[nH]nc(C)c1Br)N1CCOCC1 C1CN(CCO1)[*:1] CCC(CC)[C@@H](CNC(=O)c1[nH]nc(C)c1Br)[*:1]
CCC(CC)[C@@H](CNC(=O)c1[nH]nc(C)c1Br)N1CCOCC1 CCC(CC)[*:1] Cc1n[nH]c(C(=O)NC[C@@H](N2CCOCC2)[*:1])c1Br
C#CCN(CC#C)Cc1cc2ccccc2nc1OC C#CC[*:1] C#CCN(Cc1cc2ccccc2nc1OC)[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 c1csc(c1)[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)NC(=O)[C@H]1CCCN1C(=O)[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 C1CCC(CC1)[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)[C@H]1CCCN1C(=O)c1cccs1)[*:1]
CCOc1ccccc1CN1C(=O)/C(=N\O)c2ccccc21 CCO[*:1] O=C1/C(=N\O)c2ccccc2N1Cc1ccccc1[*:1]
Cc1cc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 FC(F)(F)[*:1] Cc1cc(no1)NC(=O)CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
Cc1cc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 O=[N+]([O-])[*:1] Cc1cc(no1)NC(=O)CN1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
Cc1cc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 Cc1cc(no1)NC(=O)[*:1] O=[N+]([O-])c1cc(ccc1N1CCN(CC1)C[*:1])C(F)(F)F
Cc1cc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 Cc1cc(no1)[*:1] O=C(CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)N[*:1]
Cc1[nH+]n(C)c(N(C)C)c1CN[C@@H]1CCCOc2ccc(F)cc21 CN(C)[*:1] Cc1[nH+]n(C)c(c1CN[C@@H]1CCCOc2ccc(F)cc21)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3cccc(Cl)c3F)C2)c1 Fc1c(Cl)cccc1[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3cccc(Cl)c3F)C2)c1 CCOC(=O)[*:1] O=C(c1cccc(Cl)c1F)N1CCC[C@H](C1)n1cc(cn1)[*:1]
CCCNC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2C)c1 Cc1ccccc1[*:1] CCCNC(=O)c1cccc(c1)NC(=S)NC(=O)[*:1]
CCCNC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2C)c1 CCCNC(=O)[*:1] Cc1ccccc1C(=O)NC(=S)Nc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2C)c1 CCC[*:1] Cc1ccccc1C(=O)NC(=S)Nc1cccc(c1)C(=O)N[*:1]
COc1cc2nc(CN(C)Cc3ccccc3Br)[nH]c(=O)c2cc1OC Brc1ccccc1[*:1] COc1cc2nc(CN(C)C[*:1])[nH]c(=O)c2cc1OC
COc1cc2nc(CN(C)Cc3ccccc3Br)[nH]c(=O)c2cc1OC Brc1ccccc1C[*:1] COc1cc2nc(CN(C)[*:1])[nH]c(=O)c2cc1OC
CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1sc2ccccc2c1Cl Fc1cccc(Cl)c1C[*:1] CN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1sc2ccccc2c1Cl Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)CNC(=O)c1sc2ccccc2c1Cl
CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(NC(=O)C2CC2)c1C O=C(N[*:1])C1CC1 CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(c1C)[*:1]
CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(NC(=O)C2CC2)c1C Cc1ccccc1O[*:1] CC[C@H](C(=O)Nc1cccc(NC(=O)C2CC2)c1C)[*:1]
CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(NC(=O)C2CC2)c1C Cc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)Nc1cccc(NC(=O)C2CC2)c1C
CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(NC(=O)C2CC2)c1C C1CC1[*:1] CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(NC(=O)[*:1])c1C
CCO[C@H]1C[C@H](NC(=O)N[C@@H]2CC[C@H](SC)C2)C12CCCC2 CS[C@H]1CC[C@H](C1)[*:1] CCO[C@H]1C[C@H](NC(=O)N[*:1])C12CCCC2
CCO[C@H]1C[C@H](NC(=O)N[C@@H]2CC[C@H](SC)C2)C12CCCC2 CCO[*:1] CS[C@H]1CC[C@H](C1)NC(=O)N[C@H]1C[C@@H](C12CCCC2)[*:1]
COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1ccccc1F COC(=O)[*:1] O=C(N[C@@H](CC1C[NH+]=c2ccccc2=1)[*:1])c1ccccc1F
COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1ccccc1F Fc1ccccc1[*:1] COC(=O)[C@H](CC1C[NH+]=c2ccccc2=1)NC(=O)[*:1]
COC(=O)c1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1 c1ccc(cc1)[*:1] COC(=O)c1cccc(c1)NC(=O)c1c(noc1C)[*:1]
COC(=O)c1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1 COC(=O)[*:1] Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(c1)[*:1]
O=C([O-])c1cc(-c2ccc(F)c(C(F)(F)F)c2)cnc1O O=C([O-])[*:1] Oc1ncc(cc1[*:1])-c1ccc(F)c(c1)C(F)(F)F
O=C([O-])c1cc(-c2ccc(F)c(C(F)(F)F)c2)cnc1O FC(F)(F)[*:1] O=C([O-])c1cc(cnc1O)-c1ccc(F)c(c1)[*:1]
CC(C)OCc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 CC(C)[*:1] O=S(=O)([N-]c1cccc(c1)CO[*:1])c1ccccc1C(F)(F)F
CC(C)OCc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)OCc1cccc(c1)[N-]S(=O)(=O)c1ccccc1[*:1]
CC(C)OCc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 CC(C)OC[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1ccccc1C(F)(F)F
CC(C)OCc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 CC(C)O[*:1] O=S(=O)([N-]c1cccc(c1)C[*:1])c1ccccc1C(F)(F)F
O=c1c(Cl)cc(C(F)(F)F)cn1C[C@@H](O)COc1ccc2ccccc2c1 FC(F)(F)[*:1] O=c1c(Cl)cc(cn1C[C@@H](O)COc1ccc2ccccc2c1)[*:1]
CC(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O CC(C)[*:1] O=C1CCCC[C@H]1[C@H]1CCCN1C(=O)O[*:1]
Nc1nc(Oc2ccc(F)cc2Br)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(ccc1[*:1])Oc1ccc(F)cc1Br
CN1CC(=O)N(CCCC(=O)Nc2ccccc2N2CCCC2=O)C1=O O=C1CCCN1[*:1] CN1CC(=O)N(CCCC(=O)Nc2ccccc2[*:1])C1=O
CN1CC(=O)N(CCCC(=O)Nc2ccccc2N2CCCC2=O)C1=O CN1CC(=O)N(C1=O)[*:1] O=C(CCC[*:1])Nc1ccccc1N1CCCC1=O
CC[C@H](C)[C@H](C(=O)Nc1cc(C(N)=O)sc1C)c1ccccc1 NC(=O)[*:1] CC[C@H](C)[C@H](C(=O)Nc1cc(sc1C)[*:1])c1ccccc1
CC[C@H](C)[C@H](C(=O)Nc1cc(C(N)=O)sc1C)c1ccccc1 CC[C@H](C)[*:1] Cc1sc(cc1NC(=O)[C@H](c1ccccc1)[*:1])C(N)=O
CC[C@H](C)[C@H](C(=O)Nc1cc(C(N)=O)sc1C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](C(=O)Nc1cc(sc1C)C(N)=O)[*:1]
O=C([C@H](O)c1ccccc1Cl)N1CCN(c2ccccc2Cl)C(=O)C1 Clc1ccccc1[*:1] O=C([C@H](O)[*:1])N1CCN(C(=O)C1)c1ccccc1Cl
O=C([C@H](O)c1ccccc1Cl)N1CCN(c2ccccc2Cl)C(=O)C1 Clc1ccccc1[*:1] O=C([C@H](O)c1ccccc1Cl)N1CCN(C(=O)C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)[C@@H](C)Oc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)[C@@H](C)O[*:1]
COC(=O)[C@]1(F)CCN(C(=O)[C@@H](C)Oc2cccc(F)c2)C1 COC(=O)[*:1] C[C@@H](Oc1cccc(F)c1)C(=O)N1CC[C@@](F)(C1)[*:1]
CCc1noc(CC)c1CC(=O)N(c1ccc(C)cn1)C1CCCCC1 C1CCC(CC1)[*:1] CCc1noc(CC)c1CC(=O)N(c1ccc(C)cn1)[*:1]
CCc1noc(CC)c1CC(=O)N(c1ccc(C)cn1)C1CCCCC1 Cc1ccc(nc1)[*:1] CCc1noc(CC)c1CC(=O)N(C1CCCCC1)[*:1]
CCOCC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 CCOC[*:1] Cc1cccc(c1)Oc1ccc(cc1)NC(=O)[*:1]
CCOCC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 CCO[*:1] Cc1cccc(c1)Oc1ccc(cc1)NC(=O)C[*:1]
CCOCC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CCOCC(=O)Nc1ccc(cc1)O[*:1]
CCOCC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 CCOCC(=O)N[*:1] Cc1cccc(c1)Oc1ccc(cc1)[*:1]
CCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCCNC(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
CCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 CCCNC(=O)C[*:1] O=S(=O)(c1ccc(F)cc1)N1CCN(CC1)[*:1]
CCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 CCCNC(=O)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCN(CC1)C[*:1]
CCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 CCC[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)N[*:1]
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C1)[*:1]
CCCNC(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1 CCCNC(=O)N[*:1] O=C1C[C@@H](CN1CCc1ccccc1)[*:1]
CCCNC(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1 CCC[*:1] O=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)N[*:1]
CCCNC(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] CCCNC(=O)N[C@H]1CC(=O)N(CC[*:1])C1
CCCNC(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CCCNC(=O)N[C@H]1CC(=O)N(C1)C[*:1]
O=C(NCCCn1ccc2ccccc21)c1scnc1C1CC1 C1CC1[*:1] O=C(NCCCn1ccc2ccccc21)c1scnc1[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)CCC2CCCCC2)C1 C1CCC(CC1)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)CC[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)CCC2CCCCC2)C1 C1CCC(CC1)C[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)C[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)CCC2CCCCC2)C1 CC(=O)N[*:1] O=C(CCC1CCCCC1)N1CCC[C@@H](C1)C[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)CCC2CCCCC2)C1 CC(=O)NC[*:1] O=C(CCC1CCCCC1)N1CCC[C@@H](C1)[*:1]
COc1ccc(NC(=O)NCc2cccc(C)c2)cc1N1CCCCC1=O Cc1cccc(c1)[*:1] COc1ccc(cc1N1CCCCC1=O)NC(=O)NC[*:1]
COc1ccc(NC(=O)NCc2cccc(C)c2)cc1N1CCCCC1=O O=C1CCCCN1[*:1] COc1ccc(cc1[*:1])NC(=O)NCc1cccc(C)c1
COc1ccc(NC(=O)NCc2cccc(C)c2)cc1N1CCCCC1=O Cc1cccc(c1)C[*:1] COc1ccc(cc1N1CCCCC1=O)NC(=O)N[*:1]
O=C(C[C@H](O)c1cccc(F)c1)N[C@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N[C@H]1CCN(C1)[*:1]
O=C(C[C@H](O)c1cccc(F)c1)N[C@H]1CCN(c2cccc(Cl)c2)C1 Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])N[C@H]1CCN(C1)c1cccc(Cl)c1
CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC
CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC)[*:1]
NC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] O=C([O-])[*:1] NC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1[*:1]
NC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] NC(=O)[*:1] O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1[*:1]
O=C(N[C@H]1CCC[C@@H](C2CC2)C1)N[C@@H]1CCC[C@@H]1CO C1CC1[*:1] O=C(N[C@H]1CCC[C@@H](C1)[*:1])N[C@@H]1CCC[C@@H]1CO
CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] CC[C@H](O[*:1])C(=O)Nc1ccc(cc1)C(=O)[O-]
Cc1nn(-c2ccccc2F)c2ncc3c(c12)C(=O)N(c1ccc(C(C)C)cc1)C3=O CC(C)c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2F)c2ncc3C(=O)N(C(=O)c3c12)[*:1]
Cc1nn(-c2ccccc2F)c2ncc3c(c12)C(=O)N(c1ccc(C(C)C)cc1)C3=O CC(C)[*:1] Cc1nn(-c2ccccc2F)c2ncc3C(=O)N(C(=O)c3c12)c1ccc(cc1)[*:1]
Cc1nn(-c2ccccc2F)c2ncc3c(c12)C(=O)N(c1ccc(C(C)C)cc1)C3=O Fc1ccccc1[*:1] Cc1nn(c2ncc3C(=O)N(C(=O)c3c12)c1ccc(cc1)C(C)C)[*:1]
Cn1cc(NC(=O)[C@H]2CCCc3sccc32)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(NC(=O)[C@H]2CCCc3sccc32)c(n1)[*:1]
CCC[C@H]1CN(C(=O)c2cnn(CC(C)C)c2CC)CCO1 CC(C)[*:1] CCC[C@H]1CN(CCO1)C(=O)c1cnn(C[*:1])c1CC
CCC[C@H]1CN(C(=O)c2cnn(CC(C)C)c2CC)CCO1 CCC[*:1] CCc1c(cnn1CC(C)C)C(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)c2cnn(CC(C)C)c2CC)CCO1 CC(C)C[*:1] CCC[C@H]1CN(CCO1)C(=O)c1cnn(c1CC)[*:1]
CCC[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 O=[N+]([O-])[*:1] CCC[C@@H]1CN(CC[NH2+]1)Cc1cc(Cl)ccc1[*:1]
CCC[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 CCC[*:1] O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH2+][C@@H](C1)[*:1]
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1 CC[C@H](C)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NCc1cccc(c1)NC(=O)[*:1]
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1 CC[C@H](C)C(=O)N[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NCc1cccc(c1)[*:1]
O=[N+]([O-])c1cn(CCOC2CCCCCC2)cn1 O=[N+]([O-])[*:1] c1nc(cn1CCOC1CCCCCC1)[*:1]
Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1 CC(C)(C)[*:1] Cc1ccccc1C(=O)Nc1nnc(SCC(=O)N[*:1])s1
Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1 CC(C)(C)NC(=O)[*:1] Cc1ccccc1C(=O)Nc1nnc(SC[*:1])s1
Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1 Cc1ccccc1[*:1] CC(C)(C)NC(=O)CSc1nnc(NC(=O)[*:1])s1
Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1 CC(C)(C)NC(=O)C[*:1] Cc1ccccc1C(=O)Nc1nnc(S[*:1])s1
O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(OC(F)F)cc1 O=C1CCCN1[*:1] O=C(NCc1ccccc1C[*:1])c1ccc(cc1)OC(F)F
O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(cc1)[*:1]
O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(OC(F)F)cc1 O=C1CCCN1C[*:1] O=C(NCc1ccccc1[*:1])c1ccc(cc1)OC(F)F
O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(cc1)O[*:1]
O=C1CCc2cc(OC(=O)/C=C/c3ccccc3OC(F)F)ccc2N1 FC(F)O[*:1] O=C1CCc2cc(ccc2N1)OC(=O)/C=C/c1ccccc1[*:1]
O=C1CCc2cc(OC(=O)/C=C/c3ccccc3OC(F)F)ccc2N1 FC(F)[*:1] O=C1CCc2cc(ccc2N1)OC(=O)/C=C/c1ccccc1O[*:1]
CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 CCN(CC)C(=O)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(C#N)cc1
CC(C)CCOc1ccc(CCl)nc1 CC(C)[*:1] ClCc1ccc(cn1)OCC[*:1]
CC(C)CCOc1ccc(CCl)nc1 CC(C)C[*:1] ClCc1ccc(cn1)OC[*:1]
CCc1nn(C)cc1C(=O)NCC1(S(C)(=O)=O)CCOCC1 CS(=O)(=O)[*:1] CCc1nn(C)cc1C(=O)NCC1(CCOCC1)[*:1]
Cc1ccc(C)c2c1NC(=O)[C@H]2CC(=O)NCc1n[nH]c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccc(C)c2c1NC(=O)[C@H]2CC(=O)NCc1n[nH]c(n1)[*:1]
COc1cccc(-c2noc([C@@H]3CN(C(=O)c4c5c(nn4C)CCCC5)CCO3)n2)c1 Cn1nc2CCCCc2c1[*:1] COc1cccc(c1)-c1noc(n1)[C@@H]1CN(CCO1)C(=O)[*:1]
COc1cccc(-c2noc([C@@H]3CN(C(=O)c4c5c(nn4C)CCCC5)CCO3)n2)c1 COc1cccc(c1)[*:1] Cn1nc2CCCCc2c1C(=O)N1CCO[C@@H](C1)c1nc(no1)[*:1]
Nc1nc2cccnc2n1CCOc1ccccc1 c1ccc(cc1)[*:1] Nc1nc2cccnc2n1CCO[*:1]
Cc1ccc(CCC(=O)NCC(=O)N2CCC(C)(C)C2)cc1 Cc1ccc(cc1)[*:1] CC1(C)CCN(C1)C(=O)CNC(=O)CC[*:1]
O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccco4)c3n2)C1 Clc1ccccc1[*:1] O=C(N1CCC[C@H](C1)c1nc(O)c2nnn(Cc3ccco3)c2n1)[*:1]
O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccco4)c3n2)C1 c1coc(c1)C[*:1] O=C(c1ccccc1Cl)N1CCC[C@H](C1)c1nc(O)c2nnn(c2n1)[*:1]
O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccco4)c3n2)C1 c1coc(c1)[*:1] O=C(c1ccccc1Cl)N1CCC[C@H](C1)c1nc(O)c2nnn(C[*:1])c2n1
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccccc1F Fc1ccccc1S[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C[*:1]
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccccc1F Fc1ccccc1SC[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[*:1]
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccccc1F Fc1ccccc1[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CS[*:1]
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccccc1F CC(C)[*:1] O=C(CSc1ccccc1F)N(Cc1nc2ccccc2c(=O)[nH]1)[*:1]
Cc1ccc(CNC(=O)COc2ccc3ccccc3c2)n1C Cc1ccc(n1C)[*:1] O=C(COc1ccc2ccccc2c1)NC[*:1]
Cn1cc(C(=O)Nc2ccc(OC(=O)c3cnc(-c4ccccc4)nc3)cc2)cn1 Cn1cc(cn1)[*:1] O=C(Oc1ccc(cc1)NC(=O)[*:1])c1cnc(nc1)-c1ccccc1
Cn1cc(C(=O)Nc2ccc(OC(=O)c3cnc(-c4ccccc4)nc3)cc2)cn1 Cn1cc(cn1)C(=O)N[*:1] O=C(Oc1ccc(cc1)[*:1])c1cnc(nc1)-c1ccccc1
Cn1cc(C(=O)Nc2ccc(OC(=O)c3cnc(-c4ccccc4)nc3)cc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)C(=O)Nc1ccc(cc1)OC(=O)c1cnc(nc1)[*:1]
Cc1nc(Nc2ccccc2O)nc(N(C)c2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nc(nc(c1[*:1])N(C)c1ccccc1)Nc1ccccc1O
Cc1nc(Nc2ccccc2O)nc(N(C)c2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nc(nc(c1[N+](=O)[O-])N(C)[*:1])Nc1ccccc1O
Cc1nc(Nc2ccccc2O)nc(N(C)c2ccccc2)c1[N+](=O)[O-] CN(c1ccccc1)[*:1] Cc1nc(nc(c1[N+](=O)[O-])[*:1])Nc1ccccc1O
Cc1nc(Nc2ccccc2O)nc(N(C)c2ccccc2)c1[N+](=O)[O-] Oc1ccccc1N[*:1] Cc1nc(nc(c1[N+](=O)[O-])N(C)c1ccccc1)[*:1]
Cc1nc(Nc2ccccc2O)nc(N(C)c2ccccc2)c1[N+](=O)[O-] Oc1ccccc1[*:1] Cc1nc(nc(c1[N+](=O)[O-])N(C)c1ccccc1)N[*:1]
COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)c(OC)c1 COc1ccccc1[*:1] COc1ccc(NC(=O)[C@@H](C)O[*:1])c(c1)OC
COC(=O)C[C@@H]1CN(C2CCCCCCC2)CCO1 COC(=O)C[*:1] C1CCCC(CCC1)N1CCO[C@@H](C1)[*:1]
COC(=O)C[C@@H]1CN(C2CCCCCCC2)CCO1 COC(=O)[*:1] C1CCCC(CCC1)N1CCO[C@@H](C1)C[*:1]
Cc1nc(NC(=O)/C=C/c2ccc(C(C)C)cc2)sc1C CC(C)[*:1] Cc1nc(NC(=O)/C=C/c2ccc(cc2)[*:1])sc1C
Cc1nc(NC(=O)/C=C/c2ccc(C(C)C)cc2)sc1C Cc1nc(sc1C)[*:1] CC(C)c1ccc(/C=C/C(=O)N[*:1])cc1
CC1CCN(c2cc(NC(=O)Cn3ccc4ccccc43)ncn2)CC1 CC1CCN(CC1)[*:1] O=C(Cn1ccc2ccccc21)Nc1cc(ncn1)[*:1]
Cn1nnnc1SCC(=O)N[C@H]1CCSc2ccc(F)cc21 Cn1nnnc1S[*:1] O=C(C[*:1])N[C@H]1CCSc2ccc(F)cc21
Cn1nnnc1SCC(=O)N[C@H]1CCSc2ccc(F)cc21 Cn1nnnc1[*:1] O=C(CS[*:1])N[C@H]1CCSc2ccc(F)cc21
CCC[C@](C)(CO)NC(=O)Nc1cc(Cl)ccc1SC CCC[*:1] CSc1ccc(Cl)cc1NC(=O)N[C@](C)(CO)[*:1]
CCOC(=O)c1ccc(Nc2ncnc(N3CCCCC3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCOC(=O)c1ccc(cc1)Nc1ncnc(c1[*:1])N1CCCCC1
CCOC(=O)c1ccc(Nc2ncnc(N3CCCCC3)c2[N+](=O)[O-])cc1 CCOC(=O)[*:1] O=[N+]([O-])c1c(ncnc1N1CCCCC1)Nc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(Nc2ncnc(N3CCCCC3)c2[N+](=O)[O-])cc1 C1CCN(CC1)[*:1] CCOC(=O)c1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1 NS(=O)(=O)[*:1] CC(C)(C)C(=O)Nc1nc(cs1)CC(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1 CC(C)(C)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)Cc1csc(n1)NC(=O)[*:1]
CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1 CC(C)(C)C(=O)N[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)Cc1csc(n1)[*:1]
CNC(=O)N1C[C@@H](c2nc(-c3cccnc3)no2)C2(CCOCC2)C1 c1cncc(c1)[*:1] CNC(=O)N1C[C@@H](c2nc(no2)[*:1])C2(CCOCC2)C1
CCOC(=O)Cc1csc(NC(=O)c2ccc([O-])nn2)n1 CCOC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc([O-])nn1
CCOC(=O)Cc1csc(NC(=O)c2ccc([O-])nn2)n1 CCOC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])c1ccc([O-])nn1
CCOC(=O)Cc1csc(NC(=O)c2ccc([O-])nn2)n1 [O-]c1ccc(nn1)[*:1] CCOC(=O)Cc1csc(n1)NC(=O)[*:1]
CC[C@H]1CCC[C@@H](C(=O)[C@@](C)(CC)N2CCOCC2)C1 C1CN(CCO1)[*:1] CC[C@H]1CCC[C@H](C1)C(=O)[C@@](C)(CC)[*:1]
CC(C)NC(=O)CN(C)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 CC(C)NC(=O)[*:1] CN(C[*:1])C(=O)CCS(=O)(=O)c1ccc2CCCc2c1
CC(C)NC(=O)CN(C)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 CC(C)[*:1] CN(CC(=O)N[*:1])C(=O)CCS(=O)(=O)c1ccc2CCCc2c1
CC(C)NC(=O)CN(C)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 CC(C)NC(=O)C[*:1] CN(C(=O)CCS(=O)(=O)c1ccc2CCCc2c1)[*:1]
Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)[C@@H]1SCC(=O)N1[*:1])c1ccc(F)cc1
Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)N1C(=O)CS[C@H]1c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(OCCNC(=O)COc2cc(C)cc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)OCC(=O)NCCO[*:1]
CC(C)(C)[NH2+]Cc1cc2ccccc2nc1O CC(C)(C)[*:1] Oc1nc2ccccc2cc1C[NH2+][*:1]
C[C@@H](Cc1nc2ccccc2s1)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] C[C@@H](Cc1nc2ccccc2s1)NC[*:1]
CC(=O)Nc1ccc(SCCOc2ccccc2C)cc1 Cc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)SCCO[*:1]
CC(=O)Nc1ccc(SCCOc2ccccc2C)cc1 CC(=O)N[*:1] Cc1ccccc1OCCSc1ccc(cc1)[*:1]
COc1ccc(OCC(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1 COc1ccc(C)cc1[*:1] COc1ccc(cc1)OCC(=O)Nc1nc(cs1)[*:1]
COc1ccc(OCC(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1 COc1ccc(cc1)O[*:1] COc1ccc(C)cc1-c1csc(n1)NC(=O)C[*:1]
COc1ccc(OCC(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1 COc1ccc(cc1)[*:1] COc1ccc(C)cc1-c1csc(n1)NC(=O)CO[*:1]
CCc1c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)N1CCN(CC1)S(=O)(=O)N(C)C
COc1ccc2nc3oc(C(=O)N[C@@H](C)CCc4ccccc4)cc3cc2c1 c1ccc(cc1)CC[*:1] COc1ccc2nc3oc(cc3cc2c1)C(=O)N[C@@H](C)[*:1]
COc1ccc2nc3oc(C(=O)N[C@@H](C)CCc4ccccc4)cc3cc2c1 c1ccc(cc1)C[*:1] COc1ccc2nc3oc(cc3cc2c1)C(=O)N[C@@H](C)C[*:1]
COc1ccc2nc3oc(C(=O)N[C@@H](C)CCc4ccccc4)cc3cc2c1 c1ccc(cc1)[*:1] COc1ccc2nc3oc(cc3cc2c1)C(=O)N[C@@H](C)CC[*:1]
Cc1ccc(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 Cc1ccc(cc1)[*:1] O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1])Nc1ccc(Br)cc1
Cc1ccc(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=N[C@@H]2CS(=O)(=O)C[C@H]21)SCC(=O)N[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)OCC(=O)N1CCCC1 Clc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)OCC(=O)N1CCCC1
C[C@@H](Oc1ccccc1Cl)C(=O)OCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)OC[*:1]
CCOc1ccc2nc(SC(C)C)[nH]c2c1 CC(C)[*:1] CCOc1ccc2nc([nH]c2c1)S[*:1]
CCOc1ccc2nc(SC(C)C)[nH]c2c1 CC(C)S[*:1] CCOc1ccc2nc([nH]c2c1)[*:1]
CCOc1ccc2nc(SC(C)C)[nH]c2c1 CCO[*:1] CC(C)Sc1nc2ccc(cc2[nH]1)[*:1]
COCCOc1ccc(NC(=O)c2nc(C)n[nH]2)cc1 COCC[*:1] Cc1n[nH]c(n1)C(=O)Nc1ccc(cc1)O[*:1]
COCCOc1ccc(NC(=O)c2nc(C)n[nH]2)cc1 COCCO[*:1] Cc1n[nH]c(n1)C(=O)Nc1ccc(cc1)[*:1]
COCCOc1ccc(NC(=O)c2nc(C)n[nH]2)cc1 COC[*:1] Cc1n[nH]c(n1)C(=O)Nc1ccc(cc1)OC[*:1]
COCCOc1ccc(NC(=O)c2nc(C)n[nH]2)cc1 Cc1n[nH]c(n1)[*:1] COCCOc1ccc(cc1)NC(=O)[*:1]
CC1CC[NH+](Cc2csc(NC(=O)CSCc3ccco3)n2)CC1 c1coc(c1)C[*:1] CC1CC[NH+](CC1)Cc1csc(n1)NC(=O)CS[*:1]
CC1CC[NH+](Cc2csc(NC(=O)CSCc3ccco3)n2)CC1 c1coc(c1)[*:1] CC1CC[NH+](CC1)Cc1csc(n1)NC(=O)CSC[*:1]
CC1CC[NH+](Cc2csc(NC(=O)CSCc3ccco3)n2)CC1 c1coc(c1)CS[*:1] CC1CC[NH+](CC1)Cc1csc(n1)NC(=O)C[*:1]
CC1CC[NH+](Cc2csc(NC(=O)CSCc3ccco3)n2)CC1 c1coc(c1)CSC[*:1] CC1CC[NH+](CC1)Cc1csc(n1)NC(=O)[*:1]
O=C([O-])Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc(Cl)cc3)nc21 O=C([O-])C[*:1] FC(F)c1cc(nc2c1c(nn2[*:1])C1CC1)-c1ccc(Cl)cc1
O=C([O-])Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc(Cl)cc3)nc21 C1CC1[*:1] O=C([O-])Cn1nc(c2c(cc(nc21)-c1ccc(Cl)cc1)C(F)F)[*:1]
O=C([O-])Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc(Cl)cc3)nc21 Clc1ccc(cc1)[*:1] O=C([O-])Cn1nc(c2c(cc(nc21)[*:1])C(F)F)C1CC1
O=C([O-])Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc(Cl)cc3)nc21 O=C([O-])[*:1] FC(F)c1cc(nc2c1c(nn2C[*:1])C1CC1)-c1ccc(Cl)cc1
O=C([O-])Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc(Cl)cc3)nc21 FC(F)[*:1] O=C([O-])Cn1nc(c2c(cc(nc21)-c1ccc(Cl)cc1)[*:1])C1CC1
O=C1NCCN(Cc2cc(F)c(F)cc2F)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C1NCCN(Cc2cc(F)c(F)cc2F)[C@H]1[*:1]
CCCc1cc(C(=O)N[C@@H](CC)c2nc(C)no2)[nH]n1 CCC[*:1] CC[C@H](NC(=O)c1cc(n[nH]1)[*:1])c1nc(C)no1
CCCc1cc(C(=O)N[C@@H](CC)c2nc(C)no2)[nH]n1 Cc1noc(n1)[*:1] CCCc1cc([nH]n1)C(=O)N[C@@H](CC)[*:1]
CCNC(=O)c1cccc(NC(=O)c2cc(Br)c(OCC)c(OC)c2)c1 CCO[*:1] CCNC(=O)c1cccc(c1)NC(=O)c1cc(Br)c(c(c1)OC)[*:1]
CCNC(=O)c1cccc(NC(=O)c2cc(Br)c(OCC)c(OC)c2)c1 CCNC(=O)[*:1] CCOc1c(Br)cc(cc1OC)C(=O)Nc1cccc(c1)[*:1]
COc1ccc2nc(NC(=O)c3ccc(COc4ccccc4C#N)o3)sc2c1 N#Cc1ccccc1[*:1] COc1ccc2nc(NC(=O)c3ccc(CO[*:1])o3)sc2c1
COc1ccc2nc(NC(=O)c3ccc(COc4ccccc4C#N)o3)sc2c1 N#Cc1ccccc1O[*:1] COc1ccc2nc(NC(=O)c3ccc(C[*:1])o3)sc2c1
CCn1ccnc(N(C)CC(=O)NC(C)(C)C)c1=O CC(C)(C)[*:1] CCn1ccnc(c1=O)N(C)CC(=O)N[*:1]
O=C([O-])COCCNC(=O)C1CCCC1 C1CCC(C1)[*:1] O=C([O-])COCCNC(=O)[*:1]
O=C([O-])COCCNC(=O)C1CCCC1 O=C([O-])[*:1] O=C(NCCOC[*:1])C1CCCC1
O=C([O-])COCCNC(=O)C1CCCC1 O=C([O-])C[*:1] O=C(NCCO[*:1])C1CCCC1
O=C([O-])COCCNC(=O)C1CCCC1 O=C([O-])CO[*:1] O=C(NCC[*:1])C1CCCC1
COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)[C@H](C)c4ccon4)c3C3CC3)ncc1CC2 C1CC1[*:1] COc1ccc2CCc3cnc(nc3-c2c1)-n1ncc(C(=O)N(C)[C@H](C)c2ccon2)c1[*:1]
COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)[C@H](C)c4ccon4)c3C3CC3)ncc1CC2 c1cc(no1)[*:1] COc1ccc2CCc3cnc(nc3-c2c1)-n1ncc(C(=O)N(C)[C@H](C)[*:1])c1C1CC1
COC(=O)Nc1cccc(OCc2nnc(-c3ccc(C#N)cc3)o2)c1 N#Cc1ccc(cc1)[*:1] COC(=O)Nc1cccc(c1)OCc1nnc(o1)[*:1]
COC(=O)Nc1cccc(OCc2nnc(-c3ccc(C#N)cc3)o2)c1 COC(=O)N[*:1] N#Cc1ccc(cc1)-c1nnc(COc2cccc(c2)[*:1])o1
Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] Cc1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 Cc1ccccc1[*:1] CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
O=C(Cn1cc(C(F)(F)F)ccc1=O)NNC(=O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(Cn1cc(ccc1=O)C(F)(F)F)NNC(=O)[*:1]
O=C(Cn1cc(C(F)(F)F)ccc1=O)NNC(=O)c1c[nH]c2ccccc12 FC(F)(F)[*:1] O=C(Cn1cc(ccc1=O)[*:1])NNC(=O)c1c[nH]c2ccccc12
CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3cccc4cccnc34)cc12 CC(=O)[*:1] Cc1cc2oc(C)c(c2cc1NS(=O)(=O)c1cccc2cccnc12)[*:1]
O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CC=CCC1 Fc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)O[*:1])[C@@H]1CC=CCC1
O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CC=CCC1 Fc1ccc(cc1)O[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1CC=CCC1
O=C(NNC(=O)c1ccccc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] O=C(NNC(=O)c1ccccc1Cl)c1ccc(cc1)CO[*:1]
O=C(NNC(=O)c1ccccc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)OC[*:1] O=C(NNC(=O)c1ccccc1Cl)c1ccc(cc1)[*:1]
O=C(NNC(=O)c1ccccc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)O[*:1] O=C(NNC(=O)c1ccccc1Cl)c1ccc(cc1)C[*:1]
O=C(NNC(=O)c1ccccc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1 Clc1ccccc1[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)COc1ccc(Cl)cc1
C[C@@H](CO)NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O C[C@@H](CO)NC(=O)CO[*:1] O=C1/C(=C/c2ccc3OCOc3c2)Oc2cc(ccc21)[*:1]
C[C@@H](CO)NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O c1cc2OCOc2cc1[*:1] C[C@@H](CO)NC(=O)COc1ccc2C(=O)C(=C[*:1])Oc2c1
CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@H](C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CCn1c(cnc1S[C@H](C)C(=O)N[*:1])-c1ccc2OCCOc2c1
CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@H](C)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] CCn1c(cnc1S[C@H](C)[*:1])-c1ccc2OCCOc2c1
O=C(C[C@H]1OCCc2ccsc21)N1CCOC[C@H]1CCO OCC[*:1] O=C(C[C@H]1OCCc2ccsc21)N1CCOC[C@@H]1[*:1]
CCN(CC(C)C)S(=O)(=O)c1cc(N)ccc1Cl CC(C)[*:1] CCN(C[*:1])S(=O)(=O)c1cc(N)ccc1Cl
CCN(CC(C)C)S(=O)(=O)c1cc(N)ccc1Cl CC(C)C[*:1] CCN(S(=O)(=O)c1cc(N)ccc1Cl)[*:1]
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)[C@@H]2SC1 O=C([O-])[*:1] CC1CS[C@H]2[C@@H](NC(=O)c3c(Cl)c(nn3C)C(F)(F)F)C(=O)N2C=1[*:1]
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)[C@@H]2SC1 FC(F)(F)[*:1] CC1CS[C@H]2[C@@H](NC(=O)c3c(Cl)c(nn3C)[*:1])C(=O)N2C=1C(=O)[O-]
COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1CC(=O)c2cnc3c(c(C)nn3c2C1)[*:1]
COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)cc1OC COc1ccc(cc1OC)[*:1] Cc1nn2c3C[C@H](CC(=O)c3cnc2c1-c1ccc(Cl)cc1)[*:1]
CCOc1ccc(F)c(C(=O)Nc2c(C)cc(N(C)C)cc2C)c1F CN(C)[*:1] CCOc1ccc(F)c(C(=O)Nc2c(C)cc(cc2C)[*:1])c1F
CCOc1ccc(F)c(C(=O)Nc2c(C)cc(N(C)C)cc2C)c1F CCO[*:1] Cc1cc(cc(C)c1NC(=O)c1c(F)ccc(c1F)[*:1])N(C)C
O=C1CCN(Cc2cc(F)cc(C#CCO)c2)CCN1 OCC#C[*:1] O=C1CCN(CCN1)Cc1cc(F)cc(c1)[*:1]
Cc1noc(CN2CCOC[C@@H]2C2CC2)n1 C1CC1[*:1] Cc1noc(CN2CCOC[C@H]2[*:1])n1
C[C@@H]1C[C@@H](C)C[NH+](CCCSc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)C[NH+](CCCS[*:1])C1
CCC[NH2+][C@H](COC)[C@H]1CCCc2ccccc21 CCC[*:1] COC[C@@H]([NH2+][*:1])[C@H]1CCCc2ccccc21
CCC[NH2+][C@H](COC)[C@H]1CCCc2ccccc21 COC[*:1] CCC[NH2+][C@H]([C@H]1CCCc2ccccc21)[*:1]
CCCOc1ccc(C=O)cc1OC CCC[*:1] COc1cc(C=O)ccc1O[*:1]
CCCOc1ccc(C=O)cc1OC CCCO[*:1] COc1cc(C=O)ccc1[*:1]
CC(C)(C[NH+]1CCC(Nc2ccccc2)CC1)S(C)(=O)=O c1ccc(cc1)[*:1] CC(C)(C[NH+]1CCC(CC1)N[*:1])S(C)(=O)=O
CC(C)(C[NH+]1CCC(Nc2ccccc2)CC1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(C[NH+]1CCC(CC1)Nc1ccccc1)[*:1]
CC(C)(C[NH+]1CCC(Nc2ccccc2)CC1)S(C)(=O)=O c1ccc(cc1)N[*:1] CC(C)(C[NH+]1CCC(CC1)[*:1])S(C)(=O)=O
CC(C)(C[NH+]1CCC(Nc2ccccc2)CC1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] c1ccc(cc1)NC1CC[NH+](CC1)C[*:1]
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CC(c4ccc(Cl)s4)=NO3)c2)n1 CCc1cc(=O)[nH]c(n1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CC(=NO1)c1ccc(Cl)s1
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CC(c4ccc(Cl)s4)=NO3)c2)n1 Clc1ccc(s1)[*:1] CCc1cc(=O)[nH]c(n1)-c1cccc(c1)NC(=O)[C@@H]1CC(=NO1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)c1cn(C[*:1])nc1-c1cccs1
NS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cn(Cc2ccccc2)nc1-c1cccs1
NS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(N[*:1])c1cn(Cc2ccccc2)nc1-c1cccs1
NS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 c1csc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)c1cn(Cc2ccccc2)nc1[*:1]
NS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 c1ccc(cc1)C[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)c1cn(nc1-c1cccs1)[*:1]
CCCN(CC)[C@H](C[NH3+])c1ccc(C)o1 CCC[*:1] CCN([C@H](C[NH3+])c1ccc(C)o1)[*:1]
CC(C)(C)c1ccc2oc([C@H]3CCCCC[C@@H]3[NH3+])nc2c1 CC(C)(C)[*:1] [NH3+][C@H]1CCCCC[C@@H]1c1nc2cc(ccc2o1)[*:1]
CC1(C)CCC[C@]12C(=N)NC(=O)N2CC1CC1 C1CC1C[*:1] CC1(C)CCC[C@]12C(=N)NC(=O)N2[*:1]
CC1(C)CCC[C@]12C(=N)NC(=O)N2CC1CC1 C1CC1[*:1] CC1(C)CCC[C@]12C(=N)NC(=O)N2C[*:1]
COc1ccc(CN(C(=O)NCc2ccc(C)cc2N(C)C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)NCc1ccc(C)cc1N(C)C)[*:1]
COc1ccc(CN(C(=O)NCc2ccc(C)cc2N(C)C)C2CC2)cc1 CN(C)[*:1] COc1ccc(cc1)CN(C(=O)NCc1ccc(C)cc1[*:1])C1CC1
COc1ccc(CN(C(=O)NCc2ccc(C)cc2N(C)C)C2CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(CNC(=O)N(C[*:1])C2CC2)c(c1)N(C)C
COc1ccc(CN(C(=O)NCc2ccc(C)cc2N(C)C)C2CC2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(CNC(=O)N(C2CC2)[*:1])c(c1)N(C)C
O=C([O-])[C@@H]1CCCN(C(=O)c2c(F)cc(Br)cc2F)C1 O=C([O-])[*:1] O=C(c1c(F)cc(Br)cc1F)N1CCC[C@H](C1)[*:1]
CC[C@](C)(NC(=O)c1cncc(C)c1)C(=O)OC COC(=O)[*:1] CC[C@](C)(NC(=O)c1cncc(C)c1)[*:1]
CC[C@H](NC(=O)c1cnn([C@@H](C)CC)c1C1CC1)c1nccs1 C1CC1[*:1] CC[C@H](NC(=O)c1cnn(c1[*:1])[C@@H](C)CC)c1nccs1
CC[C@H](NC(=O)c1cnn([C@@H](C)CC)c1C1CC1)c1nccs1 c1csc(n1)[*:1] CC[C@H](C)n1ncc(C(=O)N[C@@H](CC)[*:1])c1C1CC1
CC[C@H](NC(=O)c1cnn([C@@H](C)CC)c1C1CC1)c1nccs1 CC[C@H](C)[*:1] CC[C@H](NC(=O)c1cnn(c1C1CC1)[*:1])c1nccs1
COc1nn(C)cc1C(=O)NCC1CCN(C(=O)c2cccnc2SC)CC1 CSc1ncccc1[*:1] COc1nn(C)cc1C(=O)NCC1CCN(CC1)C(=O)[*:1]
COc1nn(C)cc1C(=O)NCC1CCN(C(=O)c2cccnc2SC)CC1 COc1nn(C)cc1[*:1] CSc1ncccc1C(=O)N1CCC(CC1)CNC(=O)[*:1]
Cc1cccc(NNC(=O)c2cc[nH]n2)c1 c1cc(n[nH]1)[*:1] Cc1cccc(c1)NNC(=O)[*:1]
O=C(Nc1ccc(Cl)nn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 O=[N+]([O-])[*:1] O=C(Nc1ccc(Cl)nn1)c1cc(ccc1Oc1ccccc1)[*:1]
O=C(Nc1ccc(Cl)nn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)nn1)c1cc(ccc1O[*:1])[N+](=O)[O-]
O=C(Nc1ccc(Cl)nn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 Clc1ccc(nn1)[*:1] O=C(N[*:1])c1cc(ccc1Oc1ccccc1)[N+](=O)[O-]
O=C(Nc1ccc(Cl)nn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(Cl)nn1)c1cc(ccc1[*:1])[N+](=O)[O-]
C/[NH+]=C(/NCCOC)N1CCN(c2ccc(F)cc2)CC1 COC[*:1] C/[NH+]=C(/NC[*:1])N1CCN(CC1)c1ccc(F)cc1
C/[NH+]=C(/NCCOC)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C/[NH+]=C(/NCCOC)N1CCN(CC1)[*:1]
C/[NH+]=C(/NCCOC)N1CCN(c2ccc(F)cc2)CC1 COCC[*:1] C/[NH+]=C(/N[*:1])N1CCN(CC1)c1ccc(F)cc1
COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCC(=O)[O-] O=C([O-])CO[*:1] COc1cc(/C=C2/N=C(OC2=O)c2ccccc2)ccc1[*:1]
COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCC(=O)[O-] O=C([O-])C[*:1] COc1cc(/C=C2/N=C(OC2=O)c2ccccc2)ccc1O[*:1]
COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCC(=O)[O-] c1ccc(cc1)[*:1] COc1cc(/C=C2/N=C(OC2=O)[*:1])ccc1OCC(=O)[O-]
COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCC(=O)[O-] O=C([O-])[*:1] COc1cc(/C=C2/N=C(OC2=O)c2ccccc2)ccc1OC[*:1]
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCCNC3=O)cc12 Fc1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)N[C@H]1CCCNC1=O)[*:1]
O=C([O-])c1ccc(N2CNC(c3ccccc3)=NC2=S)cc1 O=C([O-])[*:1] S=C1N=C(NCN1c1ccc(cc1)[*:1])c1ccccc1
O=C([O-])c1ccc(N2CNC(c3ccccc3)=NC2=S)cc1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)N1CNC(=NC1=S)[*:1]
CCCc1[nH+]n(C)c2c1NC[C@](C)(CC)N2 CCC[*:1] CC[C@@]1(C)CNc2c([nH+]n(C)c2N1)[*:1]
C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl C#CC[*:1] O=C(N/N=C/c1cc(Br)ccc1O[*:1])C(=O)Nc1cccc(Cl)c1Cl
C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)N[*:1]
C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl C#CCO[*:1] O=C(N/N=C/c1cc(Br)ccc1[*:1])C(=O)Nc1cccc(Cl)c1Cl
CCS(=O)(=O)CCN1CCc2ccc(Cl)cc2C1 CCS(=O)(=O)[*:1] Clc1ccc2CCN(CC[*:1])Cc2c1
CCS(=O)(=O)CCN1CCc2ccc(Cl)cc2C1 CCS(=O)(=O)C[*:1] Clc1ccc2CCN(Cc2c1)C[*:1]
CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C1=O c1ccc2sc(nc2c1)[*:1] CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@@H]2[*:1])C1=O
Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)cc1Br c1ccc(cc1)[*:1] Cc1ccc(cc1Br)NC(=O)C[C@@H](C(=O)[O-])[C@@H](C)[*:1]
Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)cc1Br O=C([O-])[*:1] Cc1ccc(cc1Br)NC(=O)C[C@@H]([C@@H](C)c1ccccc1)[*:1]
Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)cc1Br Cc1ccc(cc1Br)[*:1] C[C@@H](c1ccccc1)[C@@H](CC(=O)N[*:1])C(=O)[O-]
Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)cc1Br C[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1Br)NC(=O)C[C@@H](C(=O)[O-])[*:1]
Cc1cc(C)c(CN2CCC[C@H](c3nncn3C3CC3)C2)c(C)c1 c1nnc(n1C1CC1)[*:1] Cc1cc(C)c(CN2CCC[C@H](C2)[*:1])c(C)c1
Cc1cc(C)c(CN2CCC[C@H](c3nncn3C3CC3)C2)c(C)c1 C1CC1[*:1] Cc1cc(C)c(CN2CCC[C@@H](C2)c2nncn2[*:1])c(C)c1
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)NCCCc2ccccc2)CC3)no1 Cc1cc(no1)[*:1] O=C(NCCCc1ccccc1)N1CCc2nc(NC(=O)[*:1])sc2C1
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)NCCCc2ccccc2)CC3)no1 c1ccc(cc1)CC[*:1] Cc1cc(no1)C(=O)Nc1nc2CCN(Cc2s1)C(=O)NC[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)NCCCc2ccccc2)CC3)no1 c1ccc(cc1)C[*:1] Cc1cc(no1)C(=O)Nc1nc2CCN(Cc2s1)C(=O)NCC[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)NCCCc2ccccc2)CC3)no1 c1ccc(cc1)CCC[*:1] Cc1cc(no1)C(=O)Nc1nc2CCN(Cc2s1)C(=O)N[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)NCCCc2ccccc2)CC3)no1 c1ccc(cc1)[*:1] Cc1cc(no1)C(=O)Nc1nc2CCN(Cc2s1)C(=O)NCCC[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)NCCCc2ccccc2)CC3)no1 Cc1cc(no1)C(=O)N[*:1] O=C(NCCCc1ccccc1)N1CCc2nc(sc2C1)[*:1]
C=CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2sc3c(c2c1=O)CCCC3 CC(C)(C)[*:1] C=CCn1c(nc2sc3CCCCc3c2c1=O)SCC(=O)NC(=O)N[*:1]
C=CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2sc3c(c2c1=O)CCCC3 C=CC[*:1] CC(C)(C)NC(=O)NC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1[*:1]
Cc1cccc(C)c1OCC(=O)Nc1nonc1-c1ccc(Br)cc1 Cc1cccc(C)c1[*:1] O=C(CO[*:1])Nc1nonc1-c1ccc(Br)cc1
Cc1cccc(C)c1OCC(=O)Nc1nonc1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1cccc(C)c1OCC(=O)Nc1nonc1[*:1]
O=C([O-])CC1(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CCC1 O=C([O-])[*:1] O=C(NC1(CCC1)C[*:1])[C@@]1(CC[NH2+]C1)C(F)(F)F
O=C([O-])CC1(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CCC1 FC(F)(F)[*:1] O=C([O-])CC1(CCC1)NC(=O)[C@@]1(CC[NH2+]C1)[*:1]
O=C([O-])CC1(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CCC1 O=C([O-])C[*:1] O=C(NC1(CCC1)[*:1])[C@@]1(CC[NH2+]C1)C(F)(F)F
C=CCC[C@@H](C)[NH+]1CCN(c2ncnc3sccc23)CC1 C=CC[*:1] C[C@H](C[*:1])[NH+]1CCN(CC1)c1ncnc2sccc12
C=CCC[C@@H](C)[NH+]1CCN(c2ncnc3sccc23)CC1 C=CCC[*:1] C[C@@H]([NH+]1CCN(CC1)c1ncnc2sccc12)[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O O=[N+]([O-])[*:1] CC[C@H](C)[C@H](NC(=O)c1ccc(cc1)[*:1])C(N)=O
CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@@H](NC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCc1ccc(C2=CC[NH+](Cc3nc(-c4cccnc4)no3)CC2)cc1 CCc1ccc(cc1)[*:1] C1C[NH+](CCC=1[*:1])Cc1nc(no1)-c1cccnc1
CCc1ccc(C2=CC[NH+](Cc3nc(-c4cccnc4)no3)CC2)cc1 c1cncc(c1)[*:1] CCc1ccc(cc1)C1=CC[NH+](CC1)Cc1nc(no1)[*:1]
COc1ccc([C@H]2CCCN2C(=O)NCCCNC(C)=O)c(OC)c1 CC(=O)NCC[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)NC[*:1]
COc1ccc([C@H]2CCCN2C(=O)NCCCNC(C)=O)c(OC)c1 CC(=O)NC[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)NCC[*:1]
COc1ccc([C@H]2CCCN2C(=O)NCCCNC(C)=O)c(OC)c1 CC(=O)N[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)NCCC[*:1]
COc1ccc([C@H]2CCCN2C(=O)NCCCNC(C)=O)c(OC)c1 CC(=O)NCCC[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)N[*:1]
CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccccc3)CC1)C2=O c1ccc(cc1)[*:1] CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(CC1)[*:1])C2=O
Cc1nn(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cn2)c(C)c1Cl CC(C)[*:1] Cc1nn(-c2ccc(cn2)NC(=O)[C@@H]2CC(=O)N(C2)[*:1])c(C)c1Cl
Cc1nn(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cn2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)Nc1ccc(nc1)[*:1]
CC(C)[NH+](CCO)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 CC(C)[*:1] O=C(C[NH+](CCO)[*:1])Nc1cc(Cl)ccc1-n1cncn1
CC(C)[NH+](CCO)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 c1ncn(n1)[*:1] CC(C)[NH+](CCO)CC(=O)Nc1cc(Cl)ccc1[*:1]
Cc1ccccc1-c1noc([C@@H](C)NC(=O)[C@@]2(C)CCCO2)n1 Cc1ccccc1[*:1] C[C@@H](NC(=O)[C@@]1(C)CCCO1)c1nc(no1)[*:1]
COc1ccc(Br)c(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 C1CC1[*:1] COc1ccc(Br)c(c1)C(=O)Nc1ccc(cc1)CC(=O)N[*:1]
COc1ccc(Br)c(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 O=C(NC1CC1)[*:1] COc1ccc(Br)c(c1)C(=O)Nc1ccc(cc1)C[*:1]
COc1ccc(Br)c(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 O=C(C[*:1])NC1CC1 COc1ccc(Br)c(c1)C(=O)Nc1ccc(cc1)[*:1]
Cn1c(=O)c2c(nc(N3CCOCC3)n2CC(=O)c2ccc(Br)cc2)n(C)c1=O O=C(c1ccc(Br)cc1)[*:1] Cn1c(=O)c2c(nc(N3CCOCC3)n2C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCOCC3)n2CC(=O)c2ccc(Br)cc2)n(C)c1=O C1CN(CCO1)[*:1] Cn1c(=O)c2c(nc(n2CC(=O)c2ccc(Br)cc2)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCOCC3)n2CC(=O)c2ccc(Br)cc2)n(C)c1=O Brc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(N3CCOCC3)n2CC(=O)[*:1])n(C)c1=O
CCn1c(C)cc(C(=O)NCC(=O)NCC(C)C)c1C CC(C)C[*:1] CCn1c(C)cc(C(=O)NCC(=O)N[*:1])c1C
CCn1c(C)cc(C(=O)NCC(=O)NCC(C)C)c1C CC(C)[*:1] CCn1c(C)cc(C(=O)NCC(=O)NC[*:1])c1C
C[C@]12CCC(=O)N1[C@@H](C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CS2 O=C([O-])[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)N1C[C@H](O)C[C@H]1[*:1]
CC(C)[C@H](C(=O)N(C)Cc1ncnn1C)[NH+](C)C Cn1ncnc1[*:1] CC(C)[C@H](C(=O)N(C)C[*:1])[NH+](C)C
CC(C)[C@H](C(=O)N(C)Cc1ncnn1C)[NH+](C)C CC(C)[*:1] CN(Cc1ncnn1C)C(=O)[C@H]([NH+](C)C)[*:1]
COc1ccc(Br)c(C(=O)N[C@H](C)c2ccncc2)c1 c1cc(ccn1)[*:1] COc1ccc(Br)c(c1)C(=O)N[C@H](C)[*:1]
Cc1cccc(CN(C)c2ccc(C[C@H](C)[NH3+])cc2F)n1 Cc1cccc(n1)[*:1] C[C@H]([NH3+])Cc1ccc(c(F)c1)N(C)C[*:1]
CC(=O)[C@@H](NC(=O)CSc1cc(Br)ccc1N)C(C)C CC(=O)[*:1] CC(C)[C@H](NC(=O)CSc1cc(Br)ccc1N)[*:1]
CC(=O)[C@@H](NC(=O)CSc1cc(Br)ccc1N)C(C)C CC(C)[*:1] CC(=O)[C@@H](NC(=O)CSc1cc(Br)ccc1N)[*:1]
COc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1cc(C)no1 c1ccc(cc1)[*:1] COc1cn(nc1C(=O)O[C@H](C)C(=O)Nc1cc(C)no1)[*:1]
COc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1cc(C)no1 Cc1cc(on1)[*:1] COc1cn(nc1C(=O)O[C@H](C)C(=O)N[*:1])-c1ccccc1
COc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1cc(C)no1 Cc1cc(NC(=O)[*:1])on1 COc1cn(nc1C(=O)O[C@H](C)[*:1])-c1ccccc1
C[C@]1(c2ccco2)NC(=O)N(CCOCCO)C1=O c1coc(c1)[*:1] C[C@@]1(NC(=O)N(CCOCCO)C1=O)[*:1]
C[C@]1(c2ccco2)NC(=O)N(CCOCCO)C1=O OCCOCC[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])c1ccco1
C[C@]1(c2ccco2)NC(=O)N(CCOCCO)C1=O OCC[*:1] C[C@@]1(NC(=O)N(CCO[*:1])C1=O)c1ccco1
C[C@]1(c2ccco2)NC(=O)N(CCOCCO)C1=O OCCO[*:1] C[C@@]1(NC(=O)N(CC[*:1])C1=O)c1ccco1
C[C@]1(c2ccco2)NC(=O)N(CCOCCO)C1=O OCCOC[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccco1
COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc1OC CC(C)OC(=O)[*:1] COc1ccc(cc1OC)C(=O)Nc1sc2C[C@H](C)CCc2c1[*:1]
COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc1OC CC(C)[*:1] COc1ccc(cc1OC)C(=O)Nc1sc2C[C@H](C)CCc2c1C(=O)O[*:1]
CNC(=O)O/N=C(\C)[C@H](C)SC CS[C@@H](C)[*:1] CNC(=O)ON=C(C)[*:1]
N#Cc1ccc(NC(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 FC(F)(F)O[*:1] N#Cc1ccc(cc1)NC(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1]
N#Cc1ccc(NC(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)NC(=O)N1CCN(CC1)Cc1ccc(cc1)O[*:1]
N#Cc1ccc(NC(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)Cc1ccc(cc1)OC(F)(F)F
CC(C)N(C)C(=O)NCc1ccccc1CN1CCCC1=O O=C1CCCN1[*:1] CC(C)N(C)C(=O)NCc1ccccc1C[*:1]
CC(C)N(C)C(=O)NCc1ccccc1CN1CCCC1=O CC(C)[*:1] CN(C(=O)NCc1ccccc1CN1CCCC1=O)[*:1]
CC(C)N(C)C(=O)NCc1ccccc1CN1CCCC1=O O=C1CCCN1C[*:1] CC(C)N(C)C(=O)NCc1ccccc1[*:1]
O=C(NCc1ccccc1F)Nc1cnn(CC[NH+]2CCCCC2)c1 Fc1ccccc1[*:1] O=C(NC[*:1])Nc1cnn(c1)CC[NH+]1CCCCC1
O=C(NCc1ccccc1F)Nc1cnn(CC[NH+]2CCCCC2)c1 Fc1ccccc1C[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N[*:1]
COCCn1c([O-])c(C(=O)COc2c(C)cccc2C)c(C)c(C#N)c1=O Cc1cccc(C)c1O[*:1] COCCn1c([O-])c(C(=O)C[*:1])c(C)c(C#N)c1=O
COCCn1c([O-])c(C(=O)COc2c(C)cccc2C)c(C)c(C#N)c1=O COC[*:1] Cc1cccc(C)c1OCC(=O)c1c(C)c(C#N)c(=O)n(C[*:1])c1[O-]
COCCn1c([O-])c(C(=O)COc2c(C)cccc2C)c(C)c(C#N)c1=O Cc1cccc(C)c1[*:1] COCCn1c([O-])c(C(=O)CO[*:1])c(C)c(C#N)c1=O
COCCn1c([O-])c(C(=O)COc2c(C)cccc2C)c(C)c(C#N)c1=O COCC[*:1] Cc1cccc(C)c1OCC(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
CC[C@@H](C(=O)Nc1ccccc1)n1c(=O)c(N(C)C(C)=O)nc2ccccc21 O=C(Nc1ccccc1)[*:1] CC[C@@H](n1c(=O)c(nc2ccccc21)N(C)C(C)=O)[*:1]
CC[C@@H](C(=O)Nc1ccccc1)n1c(=O)c(N(C)C(C)=O)nc2ccccc21 CC(=O)N(C)[*:1] CC[C@@H](C(=O)Nc1ccccc1)n1c(=O)c(nc2ccccc21)[*:1]
CC[C@@H](C(=O)Nc1ccccc1)n1c(=O)c(N(C)C(C)=O)nc2ccccc21 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N[*:1])n1c(=O)c(nc2ccccc21)N(C)C(C)=O
COc1ccc([C@H](O)c2cnc(C(C)C)n2C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)[C@H](O)c1cnc(n1C)[*:1]
Cc1nnc2ccc(N3CCOC[C@@H]3CC(C)C)nn12 CC(C)C[*:1] Cc1nnc2ccc(nn12)N1CCOC[C@H]1[*:1]
Cc1nnc2ccc(N3CCOC[C@@H]3CC(C)C)nn12 CC(C)[*:1] Cc1nnc2ccc(nn12)N1CCOC[C@@H]1C[*:1]
CC(C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 O=C([O-])[*:1] CC(C)CN(C)S(=O)(=O)c1cc(n(C)c1)[*:1]
CC(C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 CC(C)C[*:1] CN(S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)[*:1]
CC(C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 CC(C)[*:1] CN(C[*:1])S(=O)(=O)c1cc(C(=O)[O-])n(C)c1
CCC(C)(C)c1ccc(C[NH2+][C@@H](C)CC(N)=O)cc1 NC(=O)C[*:1] CCC(C)(C)c1ccc(cc1)C[NH2+][C@@H](C)[*:1]
CCC(C)(C)c1ccc(C[NH2+][C@@H](C)CC(N)=O)cc1 CCC(C)(C)[*:1] C[C@@H](CC(N)=O)[NH2+]Cc1ccc(cc1)[*:1]
CCC(C)(C)c1ccc(C[NH2+][C@@H](C)CC(N)=O)cc1 NC(=O)[*:1] CCC(C)(C)c1ccc(cc1)C[NH2+][C@@H](C)C[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N1CCOC[C@H]1[*:1]
CC(C)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(cc1)[*:1]
Cc1c(CN2CCCN(c3ncccn3)CC2)cc(C#N)n1C c1cnc(nc1)[*:1] Cc1c(cc(C#N)n1C)CN1CCCN(CC1)[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)Cc2cc(C)on2)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(CC(=O)NC[C@H](C)C[*:1])no1
Cc1cc(C)n(C[C@@H](C)CNC(=O)Cc2cc(C)on2)n1 Cc1cc(no1)[*:1] Cc1cc(C)n(C[C@@H](C)CNC(=O)C[*:1])n1
Cc1cc(C)n(C[C@@H](C)CNC(=O)Cc2cc(C)on2)n1 Cc1cc(C[*:1])no1 Cc1cc(C)n(C[C@@H](C)CNC(=O)[*:1])n1
CCCOc1ccc([C@H]([NH3+])CC(=O)[O-])cc1 CCCO[*:1] [NH3+][C@H](CC(=O)[O-])c1ccc(cc1)[*:1]
CCCOc1ccc([C@H]([NH3+])CC(=O)[O-])cc1 CCC[*:1] [NH3+][C@H](CC(=O)[O-])c1ccc(cc1)O[*:1]
CCCOc1ccc([C@H]([NH3+])CC(=O)[O-])cc1 O=C([O-])[*:1] CCCOc1ccc(cc1)[C@H]([NH3+])C[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)c1 c1cn(cn1)[*:1] Cc1ccc(c(c1)C(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1C)[*:1]
CCOC(=O)c1ccc(NC(=O)Cn2c(C)c(Br)c(=O)c3cccc(C)c32)cc1 CCOC(=O)[*:1] Cc1cccc2c(=O)c(Br)c(C)n(CC(=O)Nc3ccc(cc3)[*:1])c12
CC(C)n1c(CCNC(=O)c2cc(F)cc3[nH]cnc23)n[nH]c1=S CC(C)[*:1] O=C(NCCc1n[nH]c(=S)n1[*:1])c1cc(F)cc2[nH]cnc12
COC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1 COC(=O)[*:1] COc1ccc(C(=O)N2CCC(CC2)C(=O)Nc2cccc(c2)[*:1])c2ccccc12
COC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1 COC(=O)c1cccc(c1)[*:1] COc1ccc(C(=O)N2CCC(CC2)C(=O)N[*:1])c2ccccc12
CC(C)C1(C[NH2+][C@H](C)c2nccs2)CC1 c1csc(n1)[*:1] CC(C)C1(CC1)C[NH2+][C@H](C)[*:1]
CC(C)C1(C[NH2+][C@H](C)c2nccs2)CC1 CC(C)[*:1] C[C@@H]([NH2+]CC1(CC1)[*:1])c1nccs1
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)c1 CCOC(=O)[*:1] O=C(c1cc[nH]n1)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)c1 c1cc(n[nH]1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)[*:1]
CNC(=O)CC1CCN(C(=O)CCc2ccccc2)CC1 CNC(=O)[*:1] O=C(CCc1ccccc1)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CNC(=O)CC1CCN(CC1)C(=O)C[*:1]
CNC(=O)CC1CCN(C(=O)CCc2ccccc2)CC1 CNC(=O)C[*:1] O=C(CCc1ccccc1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)CC[*:1]
Cn1ncc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1N Cn1ncc(c1N)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)NC[*:1]
Cn1ncc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1N O=[N+]([O-])[*:1] Cn1ncc(CNS(=O)(=O)c2cccc(c2)[*:1])c1N
COc1ccccc1NC1CCN(C(=O)N[C@@H](C)CSC)CC1 CSC[*:1] COc1ccccc1NC1CCN(CC1)C(=O)N[C@@H](C)[*:1]
Cc1ccc(-n2cnnc2SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)-n1cnnc1SCC(=O)Nc1c(C)n(C)n(c1=O)[*:1]
Cc1ccc(-n2cnnc2SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1c(NC(=O)CSc2nncn2[*:1])c(=O)n(-c2ccccc2)n1C
O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1CCCN1CCOCC1 C1CN(CCO1)[*:1] O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1CCC[*:1]
O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1CCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1CC[*:1]
O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1CCCN1CCOCC1 c1ccc(cc1)[*:1] O=C1c2ccccc2[C@@](O)(C[*:1])N1CCCN1CCOCC1
O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1CCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1C[*:1]
O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1CCCN1CCOCC1 c1ccc(cc1)C[*:1] O=C1c2ccccc2[C@@](O)(N1CCCN1CCOCC1)[*:1]
O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1CCCN1CCOCC1 C(CN1CCOCC1)C[*:1] O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1[*:1]
CCCC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1 CCC[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1 CCCC(=O)N[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CC(C)(C)NC(=O)CCCN1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C CC(C)(C)[*:1] CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCC(=O)N[*:1])C2=O
CC(C)(C)NC(=O)CCCN1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C CC(C)(C)NC(=O)[*:1] CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC[*:1])C2=O
CC(C)(C)OC(=O)N1CCC(COc2ncc(C(F)(F)F)cc2Cl)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)COc1ncc(cc1Cl)C(F)(F)F
CC(C)(C)OC(=O)N1CCC(COc2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)COc1ncc(cc1Cl)[*:1]
O=C1CS[C@H](c2ccccc2)N1c1ccccc1F c1ccc(cc1)[*:1] O=C1CS[C@H](N1c1ccccc1F)[*:1]
Cc1nn(C)c2c1nc(CCl)n2C[C@@H](C)C(C)C CC(C)[*:1] Cc1nn(C)c2c1nc(CCl)n2C[C@@H](C)[*:1]
Cc1nn(C)c2c1nc(CCl)n2C[C@@H](C)C(C)C CC(C)[C@H](C)C[*:1] Cc1nn(C)c2c1nc(CCl)n2[*:1]
Cc1nn(C)c2c1nc(CCl)n2C[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] Cc1nn(C)c2c1nc(CCl)n2C[*:1]
CCC(=O)Nc1ccc(Nc2nc3cc(C)nn3c3ccccc23)cc1 CCC(=O)N[*:1] Cc1cc2nc(Nc3ccc(cc3)[*:1])c3ccccc3n2n1
C[C@@H]1C[C@@H]1NC(=O)C[C@H](O)c1ccccc1 C[C@@H]1C[C@H]1[*:1] O=C(C[C@H](O)c1ccccc1)N[*:1]
O=C(Cc1ccc(Cl)cc1)NCc1cc(-c2cccs2)on1 Clc1ccc(cc1)[*:1] O=C(C[*:1])NCc1cc(on1)-c1cccs1
O=C(Cc1ccc(Cl)cc1)NCc1cc(-c2cccs2)on1 c1csc(c1)[*:1] O=C(Cc1ccc(Cl)cc1)NCc1cc(on1)[*:1]
O=C(c1cc(N2CCC[C@H](CO)C2)ccc1[N+](=O)[O-])N1CCCC1 OC[C@H]1CCCN(C1)[*:1] O=C(c1cc(ccc1[N+](=O)[O-])[*:1])N1CCCC1
O=C(c1cc(N2CCC[C@H](CO)C2)ccc1[N+](=O)[O-])N1CCCC1 O=C(N1CCCC1)[*:1] O=[N+]([O-])c1ccc(cc1[*:1])N1CCC[C@H](CO)C1
O=C(c1cc(N2CCC[C@H](CO)C2)ccc1[N+](=O)[O-])N1CCCC1 O=[N+]([O-])[*:1] O=C(c1cc(ccc1[*:1])N1CCC[C@H](CO)C1)N1CCCC1
CC(C)CC(=O)NCC[C@H](c1ccccc1)c1ccco1 c1coc(c1)[*:1] CC(C)CC(=O)NCC[C@H](c1ccccc1)[*:1]
CC(C)CC(=O)NCC[C@H](c1ccccc1)c1ccco1 CC(C)CC(=O)N[*:1] c1ccc(cc1)[C@@H](CC[*:1])c1ccco1
CC(C)CC(=O)NCC[C@H](c1ccccc1)c1ccco1 CC(C)C[*:1] O=C(NCC[C@H](c1ccccc1)c1ccco1)[*:1]
CC(C)CC(=O)NCC[C@H](c1ccccc1)c1ccco1 CC(C)[*:1] O=C(C[*:1])NCC[C@H](c1ccccc1)c1ccco1
CC(C)CC(=O)NCC[C@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] CC(C)CC(=O)NCC[C@H](c1ccco1)[*:1]
CNS(=O)(=O)CCCSc1nc2cc(C)ccc2o1 CNS(=O)(=O)[*:1] Cc1ccc2oc(nc2c1)SCCC[*:1]
CNS(=O)(=O)CCCSc1nc2cc(C)ccc2o1 CNS(=O)(=O)C[*:1] Cc1ccc2oc(nc2c1)SCC[*:1]
COc1ccc(CC/C([O-])=N/S(=O)(=O)c2ccc3c(c2)OCCO3)cc1F COc1ccc(cc1F)[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])c1ccc2OCCOc2c1
Cc1ccc(-n2ncc3c2ncn2nc(CCc4ccccc4)nc32)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)-n1ncc2c1ncn1nc(CC[*:1])nc21
Cc1ccc(-n2ncc3c2ncn2nc(CCc4ccccc4)nc32)cc1Cl c1ccc(cc1)CC[*:1] Cc1ccc(cc1Cl)-n1ncc2c1ncn1nc(nc21)[*:1]
Cc1ccc(-n2ncc3c2ncn2nc(CCc4ccccc4)nc32)cc1Cl Cc1ccc(cc1Cl)[*:1] c1ccc(cc1)CCc1nc2c3cnn(c3ncn2n1)[*:1]
Cc1ccc(-n2ncc3c2ncn2nc(CCc4ccccc4)nc32)cc1Cl c1ccc(cc1)C[*:1] Cc1ccc(cc1Cl)-n1ncc2c1ncn1nc(C[*:1])nc21
CCOc1cc2c(cc1Cn1c(=O)oc3cccnc31)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)Cn1c(=O)oc2cccnc21)[*:1]
O=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1CC[C@H]1c1ccc(F)cc1 c1ccc2c(c1)ccn2[*:1] O=C(c1cc(C[*:1])[nH]n1)N1CC[C@H]1c1ccc(F)cc1
O=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1CC[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1CC[C@@H]1[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 CC(C)[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc2OCCOc2c1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 CC(C)N(C)S(=O)(=O)[*:1] O=C(Nc1nnc(o1)-c1ccc2OCCOc2c1)c1ccc(cc1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 c1cc2OCCOc2cc1[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccccc2OCC(C)C)nn1 CC(C)[*:1] COc1ccc(nn1)-n1nc(C)c2c1N=C(O)C[C@H]2c1ccccc1OC[*:1]
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccccc2OCC(C)C)nn1 COc1ccc(nn1)[*:1] Cc1nn(c2N=C(O)C[C@@H](c3ccccc3OCC(C)C)c12)[*:1]
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccccc2OCC(C)C)nn1 CC(C)CO[*:1] COc1ccc(nn1)-n1nc(C)c2c1N=C(O)C[C@H]2c1ccccc1[*:1]
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccccc2OCC(C)C)nn1 CC(C)C[*:1] COc1ccc(nn1)-n1nc(C)c2c1N=C(O)C[C@H]2c1ccccc1O[*:1]
Fc1ccc(-c2csc(N3CCN(C(=S)NCc4ccccc4)CC3)n2)cc1 c1ccc(cc1)C[*:1] Fc1ccc(cc1)-c1csc(n1)N1CCN(CC1)C(=S)N[*:1]
Fc1ccc(-c2csc(N3CCN(C(=S)NCc4ccccc4)CC3)n2)cc1 Fc1ccc(cc1)[*:1] S=C(NCc1ccccc1)N1CCN(CC1)c1nc(cs1)[*:1]
Fc1ccc(-c2csc(N3CCN(C(=S)NCc4ccccc4)CC3)n2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)-c1csc(n1)N1CCN(CC1)C(=S)NC[*:1]
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NC(C)C)n1C CC(C)[*:1] Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)N[*:1])n1C
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NC(C)C)n1C Cc1occc1[*:1] CC(C)NC(=O)c1ccccc1NC(=O)CSc1nnc(n1C)[*:1]
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NC(C)C)n1C CC(C)NC(=O)[*:1] Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2[*:1])n1C
O=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 c1ccc(nc1)[*:1] O=C1NC(=N[*:1])S[C@@H]1Cc1cccc(c1)C(F)(F)F
O=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cccc(c1)[*:1]
COc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)c2ccccc2)c1 Clc1cccc(c1)[*:1] COc1ccc(c(c1)NC(=O)c1ccccc1)N1CCCN(C[*:1])C1=O
COc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)c2ccccc2)c1 O=C(N[*:1])c1ccccc1 COc1ccc(c(c1)[*:1])N1CCCN(Cc2cccc(Cl)c2)C1=O
COc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)NC(=O)[*:1])N1CCCN(Cc2cccc(Cl)c2)C1=O
COc1ccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c(NC(=O)c2ccccc2)c1 Clc1cccc(c1)C[*:1] COc1ccc(c(c1)NC(=O)c1ccccc1)N1CCCN(C1=O)[*:1]
C/C=C(/C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 CC=C(C)[*:1] O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[*:1]
CC[C@@H](CCO)NC(=O)NCCC(F)(F)F FC(F)(F)C[*:1] CC[C@@H](CCO)NC(=O)NC[*:1]
CC[C@@H](CCO)NC(=O)NCCC(F)(F)F OCC[*:1] CC[C@@H](NC(=O)NCCC(F)(F)F)[*:1]
CC[C@@H](CCO)NC(=O)NCCC(F)(F)F FC(F)(F)[*:1] CC[C@@H](CCO)NC(=O)NCC[*:1]
Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)N3CCCC3)c2cc1C FC(F)(F)[*:1] Cc1cc2nc(c(=O)n(c2cc1C)[C@@H](C)C(=O)N1CCCC1)[*:1]
Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)N3CCCC3)c2cc1C O=C(N1CCCC1)[*:1] Cc1cc2nc(c(=O)n(c2cc1C)[C@@H](C)[*:1])C(F)(F)F
Cc1c(C)c(C)c(S(=O)(=O)NC2CC2)c(C)c1C C1CC1[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)NCc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)C[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)N[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)NCc2ccc(Cl)nc2)cc1 Cc1nccn1[*:1] C[C@H](NC(=O)NCc1ccc(Cl)nc1)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)NCc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)NC[*:1]
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccnc1)C1CC1 c1cncc(c1)[*:1] O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1[*:1])C1CC1
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccnc1)C1CC1 O=C(C1CC1)[*:1] O=C1C([O-])=C([C@H](c2cccnc2)N1CC[NH+]1CCCC1)[*:1]
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccnc1)C1CC1 C1CC1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccnc2)N1CC[NH+]1CCCC1
COc1ccc(-n2c(COc3ccc(C#N)cc3OC)nc3ccccc32)cc1 COc1ccc(cc1)[*:1] COc1cc(C#N)ccc1OCc1nc2ccccc2n1[*:1]
NC(=O)NC(=O)CCNC(=O)C1C2CC3CC(C2)CC1C3 NC(=O)NC(=O)C[*:1] O=C(NC[*:1])C1C2CC3CC(C2)CC1C3
NC(=O)NC(=O)CCNC(=O)C1C2CC3CC(C2)CC1C3 NC(=O)NC(=O)[*:1] O=C(NCC[*:1])C1C2CC3CC(C2)CC1C3
C/C(=N/NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 C1CN(CCO1)[*:1] C/C(=N/NC(=O)Cn1ccc(n1)C(F)(F)F)c1ccc(cc1)[*:1]
C/C(=N/NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 FC(F)(F)c1ccn(n1)[*:1] C/C(=N/NC(=O)C[*:1])c1ccc(cc1)N1CCOCC1
C/C(=N/NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 FC(F)(F)[*:1] C/C(=N/NC(=O)Cn1ccc(n1)[*:1])c1ccc(cc1)N1CCOCC1
COCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccc(Br)cc2)C1=O COCCC[*:1] O=C1CN(C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3ccc(Br)cc3)N12)[*:1]
COCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccc(Br)cc2)C1=O COC[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3ccc(Br)cc3)N2C(=O)CN1CC[*:1]
COCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccc(Br)cc2)C1=O COCC[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3ccc(Br)cc3)N2C(=O)CN1C[*:1]
COCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccc(Br)cc2)C1=O Brc1ccc(cc1)[*:1] COCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2[*:1])C1=O
CC[C@H](C)[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(N)=O CC[C@H](C)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](C(N)=O)[*:1]
CC[C@H](C)[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)[*:1]
O=C(CNC(=O)c1ccoc1)NC1CCC([NH+]2CCCCC2)CC1 O=C(N[*:1])c1ccoc1 O=C(C[*:1])NC1CCC(CC1)[NH+]1CCCCC1
O=C(CNC(=O)c1ccoc1)NC1CCC([NH+]2CCCCC2)CC1 c1cc(co1)[*:1] O=C(CNC(=O)[*:1])NC1CCC(CC1)[NH+]1CCCCC1
CC[C@](C)(NC(=O)CCSc1ccccc1Cl)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)CCSc1ccccc1Cl)[*:1]
CCC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 CCC(=O)N[*:1] O=S(=O)(Cc1ccccc1Cl)N1CCC[C@H](C1)[*:1]
CCC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 Clc1ccccc1[*:1] CCC(=O)N[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
CCC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2Oc2cccc(C)c2)CC1 Cc1cccc(c1)O[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@H]1CCCC[C@H]1[*:1]
CCC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2Oc2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@H]1CCCC[C@@H]1O[*:1]
CN(C(=O)CSc1nnc(-c2ccccc2F)o1)c1ccccc1 Fc1ccccc1[*:1] CN(C(=O)CSc1nnc(o1)[*:1])c1ccccc1
CN(C(=O)CSc1nnc(-c2ccccc2F)o1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CSc1nnc(o1)-c1ccccc1F)[*:1]
CCCOc1ccc(C(=O)CCC(F)(F)F)cc1 FC(F)(F)[*:1] CCCOc1ccc(cc1)C(=O)CC[*:1]
CCCOc1ccc(C(=O)CCC(F)(F)F)cc1 CCC[*:1] O=C(CCC(F)(F)F)c1ccc(cc1)O[*:1]
CCCOc1ccc(C(=O)CCC(F)(F)F)cc1 FC(F)(F)CC[*:1] CCCOc1ccc(cc1)C(=O)[*:1]
CCCOc1ccc(C(=O)CCC(F)(F)F)cc1 FC(F)(F)C[*:1] CCCOc1ccc(cc1)C(=O)C[*:1]
CCCOc1ccc(C(=O)CCC(F)(F)F)cc1 CCCO[*:1] O=C(CCC(F)(F)F)c1ccc(cc1)[*:1]
O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1cccc2nsnc12 Clc1ccc(cc1)[*:1] O=C(CSc1nc(cs1)[*:1])Nc1cccc2nsnc12
O=C([O-])c1ccc(CNC(=O)C2(c3ccccc3)CC2)o1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(CNC(=O)C2(CC2)[*:1])o1
O=C([O-])c1ccc(CNC(=O)C2(c3ccccc3)CC2)o1 O=C([O-])[*:1] O=C(NCc1ccc(o1)[*:1])C1(CC1)c1ccccc1
CCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccccc1 Clc1ccccc1[*:1] CCC(=O)N1c2ncnn2[C@H](C[C@H]1c1ccccc1)[*:1]
CCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCC(=O)N1c2ncnn2[C@@H](C[C@@H]1[*:1])c1ccccc1Cl
C=CCOc1ccc(C[NH+]2CCCN(c3nccs3)CC2)cc1 C=CC[*:1] c1csc(n1)N1CCC[NH+](CC1)Cc1ccc(cc1)O[*:1]
C=CCOc1ccc(C[NH+]2CCCN(c3nccs3)CC2)cc1 c1csc(n1)[*:1] C=CCOc1ccc(cc1)C[NH+]1CCCN(CC1)[*:1]
C=CCOc1ccc(C[NH+]2CCCN(c3nccs3)CC2)cc1 C=CCO[*:1] c1csc(n1)N1CCC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(C)c1cc(C(=O)NNC(=O)Cc2ccncc2)n(C)n1 c1cc(ccn1)C[*:1] CC(C)c1cc(C(=O)NNC(=O)[*:1])n(C)n1
CC(C)c1cc(C(=O)NNC(=O)Cc2ccncc2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)NNC(=O)Cc1ccncc1)[*:1]
CC(C)c1cc(C(=O)NNC(=O)Cc2ccncc2)n(C)n1 c1cc(ccn1)[*:1] CC(C)c1cc(C(=O)NNC(=O)C[*:1])n(C)n1
CC[C@@H](C(=O)c1ccc(C)cc1)[C@@H]1c2cc(Br)ccc2OC(=O)[C@@H]1C(=O)OC COC(=O)[*:1] CC[C@@H](C(=O)c1ccc(C)cc1)[C@@H]1c2cc(Br)ccc2OC(=O)[C@H]1[*:1]
CC[C@@H](C(=O)c1ccc(C)cc1)[C@@H]1c2cc(Br)ccc2OC(=O)[C@@H]1C(=O)OC Cc1ccc(cc1)C(=O)[*:1] CC[C@@H]([C@@H]1c2cc(Br)ccc2OC(=O)[C@@H]1C(=O)OC)[*:1]
CC[C@@H](C(=O)c1ccc(C)cc1)[C@@H]1c2cc(Br)ccc2OC(=O)[C@@H]1C(=O)OC Cc1ccc(cc1)[*:1] CC[C@@H](C(=O)[*:1])[C@@H]1c2cc(Br)ccc2OC(=O)[C@@H]1C(=O)OC
O=c1/c(=C\c2ccc(-c3ccccc3F)o2)sc2nc3ccccc3n12 Fc1ccccc1[*:1] O=c1/c(=C\c2ccc(o2)[*:1])sc2nc3ccccc3n12
COc1ccc(CNc2nccn(CC(C)C)c2=O)cc1F CC(C)C[*:1] COc1ccc(cc1F)CNc1nccn(c1=O)[*:1]
COc1ccc(CNc2nccn(CC(C)C)c2=O)cc1F CC(C)[*:1] COc1ccc(cc1F)CNc1nccn(C[*:1])c1=O
CC[C@H](C)NC1(C#N)CN(C(=O)OC(C)(C)C)C1 CC[C@H](C)N[*:1] CC(C)(C)OC(=O)N1CC(C#N)(C1)[*:1]
CC[C@H](C)NC1(C#N)CN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC[C@H](C)NC1(C#N)CN(C1)C(=O)O[*:1]
CC[C@H](C)NC1(C#N)CN(C(=O)OC(C)(C)C)C1 CC[C@H](C)[*:1] CC(C)(C)OC(=O)N1CC(C#N)(C1)N[*:1]
Cc1cccc(NC(=O)c2nc(-c3cn(-c4ccccc4)nn3)no2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)c1nc(no1)-c1cn(nn1)[*:1]
Cc1cccc(NC(=O)c2nc(-c3cn(-c4ccccc4)nn3)no2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])c1nc(no1)-c1cn(nn1)-c1ccccc1
Cc1cccn2c(=O)cc(Cn3ncnc3-c3cccc(C#N)c3)nc12 N#Cc1cccc(c1)[*:1] Cc1cccn2c(=O)cc(Cn3ncnc3[*:1])nc12
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 NC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1sc2CCCCc2c1[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 COc1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)[*:1])sc2CCCCc21
C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@H]3[C@H](O)[C@@]21C c1coc(c1)[*:1] C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(CC4)C(=O)[*:1])[C@H]3[C@H](O)[C@@]21C
Cc1cc2nnc(SCC(=O)c3ccc(F)c(F)c3)n2c2ccccc12 Fc1ccc(cc1F)[*:1] Cc1cc2nnc(SCC(=O)[*:1])n2c2ccccc12
Cc1ccc(C)c(OCc2nc(N)nc(N(C)C)n2)c1C CN(C)[*:1] Cc1ccc(C)c(OCc2nc(N)nc(n2)[*:1])c1C
CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 CC(C)NC(=O)N[*:1] Fc1ccc(cc1)-c1nc(no1)-c1cccc(c1)[*:1]
CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)-c1noc(n1)-c1ccc(F)cc1)N[*:1]
CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 Fc1ccc(cc1)[*:1] CC(C)NC(=O)Nc1cccc(c1)-c1noc(n1)[*:1]
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCC4=c5ccc(OC)cc5=[NH+][C@H]4[C@@H]3C[C@H]12 COC(=O)[*:1] COc1ccc2=C3CCN4C[C@H]5[C@H](C)OC=C([C@H]5C[C@H]4[C@@H]3[NH+]=c2c1)[*:1]
CC(C)OCc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 CC(C)[*:1] O=C(N[C@@H]1CCSc2ccccc21)c1ccc(cc1)CO[*:1]
CC(C)OCc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 CC(C)OC[*:1] O=C(N[C@@H]1CCSc2ccccc21)c1ccc(cc1)[*:1]
CC(C)OCc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 CC(C)O[*:1] O=C(N[C@@H]1CCSc2ccccc21)c1ccc(cc1)C[*:1]
Cc1cc(O[C@@H](C)/C([O-])=N/S(=O)(=O)c2cccs2)ccc1Cl c1csc(c1)[*:1] Cc1cc(ccc1Cl)O[C@@H](C)/C([O-])=N/S(=O)(=O)[*:1]
Cc1cc(NC(=O)C[S@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)no1 Cc1cc(no1)[*:1] C[C@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)CC(=O)N[*:1]
CCCCC(=O)NCc1ccccc1OC CCC[*:1] COc1ccccc1CNC(=O)C[*:1]
CCCCC(=O)NCc1ccccc1OC CCCC[*:1] COc1ccccc1CNC(=O)[*:1]
C#CC[NH2+]CC(=O)Nc1ccc(F)cc1C(=O)[O-] O=C([O-])[*:1] C#CC[NH2+]CC(=O)Nc1ccc(F)cc1[*:1]
CC(C)S(=O)(=O)/C(C#N)=C/Nc1cccnc1 CC(C)[*:1] N#C/C(=C\Nc1cccnc1)S(=O)(=O)[*:1]
CCOc1cccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 C1CN(CCO1)[*:1] CCOc1cccc(c1)NC(=O)NC[C@@H](c1ccc(F)cc1)[*:1]
CCOc1cccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 CCOc1cccc(c1)[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)N[*:1]
CCOc1cccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 CCO[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1cccc(c1)[*:1]
CCOc1cccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 Fc1ccc(cc1)[*:1] CCOc1cccc(c1)NC(=O)NC[C@@H](N1CCOCC1)[*:1]
CCC[NH2+][C@H](C)c1cnc([C@@H]2CN3CCC[C@@H]3CO2)s1 CCC[*:1] C[C@@H]([NH2+][*:1])c1cnc(s1)[C@@H]1CN2CCC[C@@H]2CO1
NC(=O)NC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 NC(=O)N[*:1] c1cc2CCCc2cc1C[NH+]1CCC(CC1)[*:1]
CC(C)(C)OC(=O)C1CCC(NS(=O)(=O)CC#N)CC1 N#CC[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NS(=O)(=O)[*:1]
CC(C)(C)OC(=O)C1CCC(NS(=O)(=O)CC#N)CC1 CC(C)(C)[*:1] N#CCS(=O)(=O)NC1CCC(CC1)C(=O)O[*:1]
COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 COC(=O)C[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)c1ccccc1F
COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] COC(=O)CCNC(=O)c1ccc(cc1)NC(=O)[*:1]
COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 COC(=O)CC[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1ccccc1F
COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 COC(=O)[*:1] O=C(NCC[*:1])c1ccc(cc1)NC(=O)c1ccccc1F
CC(C)(C)n1cc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)cn1 FC(F)O[*:1] CC(C)(C)n1cc(cn1)C(=O)NC[C@H](O)c1cccc(c1)[*:1]
CC(C)(C)n1cc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)cn1 FC(F)[*:1] CC(C)(C)n1cc(cn1)C(=O)NC[C@H](O)c1cccc(c1)O[*:1]
CC(C)(C)n1cc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)cn1 CC(C)(C)[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)c1cnn(c1)[*:1]
COc1cccc(CN(C)C(=O)c2nccnc2N)c1OC Nc1nccnc1[*:1] COc1cccc(CN(C)C(=O)[*:1])c1OC
CCC[C@H](Oc1cccc(N)c1)C(=O)c1cc(C)c(C)cc1C Nc1cccc(c1)[*:1] CCC[C@H](O[*:1])C(=O)c1cc(C)c(C)cc1C
CCC[C@H](Oc1cccc(N)c1)C(=O)c1cc(C)c(C)cc1C CCC[*:1] Cc1cc(C)c(cc1C)C(=O)[C@@H](Oc1cccc(N)c1)[*:1]
CC[C@H](NC(=O)C1CCOCC1)c1c(C)nn(C)c1C C1CC(CCO1)[*:1] CC[C@H](NC(=O)[*:1])c1c(C)nn(C)c1C
O=C([O-])[C@@H]1C=C[C@H](NC(=O)[C@@H]2Cc3ccccc3O2)C1 O=C([O-])[*:1] O=C(N[C@H]1C=C[C@H](C1)[*:1])[C@@H]1Cc2ccccc2O1
Cc1ccc(NC(=O)N2CCN(C(=O)CCC(C)C)CC2)c(C)c1 CC(C)[*:1] Cc1ccc(NC(=O)N2CCN(CC2)C(=O)CC[*:1])c(C)c1
Cc1ccc(NC(=O)N2CCN(C(=O)CCC(C)C)CC2)c(C)c1 CC(C)CC[*:1] Cc1ccc(NC(=O)N2CCN(CC2)C(=O)[*:1])c(C)c1
Cc1ccc(NC(=O)N2CCN(C(=O)CCC(C)C)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCN(C(=O)CCC(C)C)CC2)c(C)c1 CC(C)C[*:1] Cc1ccc(NC(=O)N2CCN(CC2)C(=O)C[*:1])c(C)c1
CC(C)(CNC(=O)N1CCN(Cc2ccncc2)CC1)[NH+]1CCCCC1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N1CCN(CC1)C[*:1])[NH+]1CCCCC1
CC(C)(CNC(=O)N1CCN(Cc2ccncc2)CC1)[NH+]1CCCCC1 c1cc(ccn1)C[*:1] CC(C)(CNC(=O)N1CCN(CC1)[*:1])[NH+]1CCCCC1
CCn1nc(C(=O)N2CCCC2)c2c1CC[NH+](C1CCCC1)C2 O=C(N1CCCC1)[*:1] CCn1nc(c2C[NH+](CCc21)C1CCCC1)[*:1]
CCn1nc(C(=O)N2CCCC2)c2c1CC[NH+](C1CCCC1)C2 C1CCC(C1)[*:1] CCn1nc(C(=O)N2CCCC2)c2C[NH+](CCc21)[*:1]
C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(NC=O)cc3)CC2)S1 O=CN[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COC(C)(C)C[C@H](C)NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 COC(C)(C)[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccc(cc1)-n1ncn(C)c1=O
COC(C)(C)C[C@H](C)NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] COC(C)(C)C[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
COC(C)(C)C[C@H](C)NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 COC(C)(C)C[*:1] C[C@H](NC(=O)Nc1ccc(cc1)-n1ncn(C)c1=O)[*:1]
Cc1cc(C(=O)NCCN2C(=O)CCC2=O)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)NCCN2C(=O)CCC2=O)c(C)n1[*:1]
Cc1cc(C(=O)NCCN2C(=O)CCC2=O)c(C)n1C(C)C O=C1CCC(=O)N1[*:1] Cc1cc(C(=O)NCC[*:1])c(C)n1C(C)C
Cc1cccnc1[C@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)C(C)C Clc1ccc(cc1)[*:1] Cc1cccnc1[C@H](NC(=O)N[C@H](CO)[*:1])C(C)C
Cc1cccnc1[C@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)C(C)C CC(C)[*:1] Cc1cccnc1[C@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)[*:1]
Cc1cccnc1[C@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)C(C)C Cc1cccnc1[*:1] CC(C)[C@@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3CN2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1
COc1cccc(-c2ccc(=O)n(CC(=O)N[C@@H](C(=O)[O-])C(C)C)n2)c1 COc1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)Cn1nc(ccc1=O)[*:1])C(=O)[O-]
COc1cccc(-c2ccc(=O)n(CC(=O)N[C@@H](C(=O)[O-])C(C)C)n2)c1 CC(C)[*:1] COc1cccc(c1)-c1ccc(=O)n(CC(=O)N[C@@H](C(=O)[O-])[*:1])n1
COc1cccc(-c2ccc(=O)n(CC(=O)N[C@@H](C(=O)[O-])C(C)C)n2)c1 O=C([O-])[*:1] COc1cccc(c1)-c1ccc(=O)n(CC(=O)N[C@@H](C(C)C)[*:1])n1
Cc1ccc(NC(=O)C(=O)NCc2ccccc2C)c(Cl)c1 Cc1ccccc1[*:1] Cc1ccc(NC(=O)C(=O)NC[*:1])c(Cl)c1
Cc1ccccc1C1=N/C(=C\c2coc3ccccc3c2=O)C(=O)O1 Cc1ccccc1[*:1] O=C1OC(=N/C1=C\c1coc2ccccc2c1=O)[*:1]
CN(C)c1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1 CN(C)[*:1] C[NH+](C)C1(CCCCC1)CNC(=O)c1cccc(c1)[*:1]
c1ccc2c(c1)C[C@H](C[NH2+]C(C1CC1)C1CC1)S2 C1CC1[*:1] c1ccc2S[C@@H](C[NH2+]C(C3CC3)[*:1])Cc2c1
CN(C)c1cccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 c1ncn(n1)[*:1] CN(C)c1cccc(c1)C(=O)Nc1cc(Cl)ccc1[*:1]
CN(C)c1cccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 CN(C)[*:1] O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccc(c1)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3cn(C)nc3C)c2=O)=N1 Cc1nn(C)cc1[*:1] CC1N=c2sc(=C[*:1])c(=O)n2[C@@H](C=1C(=O)Nc1ccccc1)c1ccccc1
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3cn(C)nc3C)c2=O)=N1 O=C(Nc1ccccc1)[*:1] CC1N=c2s/c(=C/c3cn(C)nc3C)c(=O)n2[C@@H](C=1[*:1])c1ccccc1
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3cn(C)nc3C)c2=O)=N1 c1ccc(cc1)[*:1] CC1N=c2s/c(=C/c3cn(C)nc3C)c(=O)n2[C@@H](C=1C(=O)N[*:1])c1ccccc1
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3cn(C)nc3C)c2=O)=N1 c1ccc(cc1)[*:1] CC1N=c2s/c(=C/c3cn(C)nc3C)c(=O)n2[C@H](C=1C(=O)Nc1ccccc1)[*:1]
CC[NH+](CC)CCCNC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC[NH+](CC)CCCNC(=O)N1CCCN(CC1)C(=O)[*:1]
Cc1cncc(C(=O)O[C@H](Cn2cncn2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)C(=O)O[C@H](Cn1cncn1)[*:1]
Cc1cncc(C(=O)O[C@H](Cn2cncn2)c2ccccc2)c1 c1ncn(C[*:1])n1 Cc1cncc(c1)C(=O)O[C@H](c1ccccc1)[*:1]
Cc1cncc(C(=O)O[C@H](Cn2cncn2)c2ccccc2)c1 c1ncn(n1)[*:1] Cc1cncc(c1)C(=O)O[C@H](C[*:1])c1ccccc1
Cc1cncc(C(=O)O[C@H](Cn2cncn2)c2ccccc2)c1 Cc1cncc(c1)[*:1] O=C(O[C@H](Cn1cncn1)c1ccccc1)[*:1]
COc1ccccc1COC(=O)CC1CCC1 C1CC(C1)[*:1] COc1ccccc1COC(=O)C[*:1]
COc1ccccc1COC(=O)CC1CCC1 C1CC(C1)C[*:1] COc1ccccc1COC(=O)[*:1]
Cc1cccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c1 Cc1cccc(c1)O[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)NCC[*:1]
Cc1cccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c1 Cc1cccc(c1)OC[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
Cc1cccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c1 Cc1cccc(c1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)NCCO[*:1]
Cc1ccc(OCCn2ccc(=O)c3cccc(OC(F)(F)F)c32)cc1 Cc1ccc(cc1)[*:1] O=c1ccn(CCO[*:1])c2c(cccc12)OC(F)(F)F
Cc1ccc(OCCn2ccc(=O)c3cccc(OC(F)(F)F)c32)cc1 Cc1ccc(cc1)O[*:1] O=c1ccn(CC[*:1])c2c(cccc12)OC(F)(F)F
Cc1ccc(OCCn2ccc(=O)c3cccc(OC(F)(F)F)c32)cc1 FC(F)(F)O[*:1] Cc1ccc(cc1)OCCn1ccc(=O)c2cccc(c21)[*:1]
Cc1ccc(OCCn2ccc(=O)c3cccc(OC(F)(F)F)c32)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)OCCn1ccc(=O)c2cccc(O[*:1])c21
CCN(CCO)c1ncnc(Nc2ccc3c(c2)OCO3)c1N OCC[*:1] CCN(c1ncnc(Nc2ccc3OCOc3c2)c1N)[*:1]
CCN(CCO)c1ncnc(Nc2ccc3c(c2)OCO3)c1N CCN(CCO)[*:1] Nc1c(ncnc1[*:1])Nc1ccc2OCOc2c1
COCCCN1CCN(C(=O)c2cccc(F)c2)CC1 COCC[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)C[*:1]
COCCCN1CCN(C(=O)c2cccc(F)c2)CC1 COCCC[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)[*:1]
COCCCN1CCN(C(=O)c2cccc(F)c2)CC1 COC[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)CC[*:1]
C[C@@H](NS(=O)(=O)c1cccc2cnccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1cccc2cnccc12)[*:1]
CCO/C([O-])=C1\C(=O)N=C(SC)[C@@H](C#N)[C@H]1c1ccccc1OC CCO[*:1] COc1ccccc1[C@H]1C(C(=O)N=C(SC)[C@H]1C#N)=C([O-])[*:1]
CCO/C([O-])=C1\C(=O)N=C(SC)[C@@H](C#N)[C@H]1c1ccccc1OC COc1ccccc1[*:1] CCO/C([O-])=C1\C(=O)N=C(SC)[C@@H](C#N)[C@@H]1[*:1]
O=C(CSc1nc2cc(F)c(F)cc2[nH]1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc2cc(F)c(F)cc2[nH]1)NCC[*:1]
O=C(CSc1nc2cc(F)c(F)cc2[nH]1)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1nc2cc(F)c(F)cc2[nH]1)NC[*:1]
O=C(CSc1nc2cc(F)c(F)cc2[nH]1)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(CSc1nc2cc(F)c(F)cc2[nH]1)N[*:1]
CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN(Cc1nc(no1)-c1ccccc1)C(=O)[*:1]
CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(Cl)c1 c1ccc(cc1)[*:1] CN(Cc1nc(no1)[*:1])C(=O)c1cccc(Cl)c1
C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)Cc1noc(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@@H]2C)n1 CC(C)C[*:1] C[C@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)Cc1nc(no1)[*:1]
CC(C)Cc1noc(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@@H]2C)n1 CC(C)[*:1] C[C@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)Cc1nc(C[*:1])no1
Cc1ccc([S@](=O)Cc2nnc(-c3ccccc3F)o2)cc1C Fc1ccccc1[*:1] Cc1ccc(cc1C)[S@](=O)Cc1nnc(o1)[*:1]
C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCN1C(=O)CC(C)(C)C1=O NC(=O)[*:1] C[NH2+][C@]1(CCC[C@H]1CCN1C(=O)CC(C)(C)C1=O)[*:1]
COCCCNC(=O)c1cnc2n(c1=O)CCS2 COCC[*:1] O=C(NC[*:1])c1cnc2SCCn2c1=O
COCCCNC(=O)c1cnc2n(c1=O)CCS2 COCCC[*:1] O=C(N[*:1])c1cnc2SCCn2c1=O
COCCCNC(=O)c1cnc2n(c1=O)CCS2 COC[*:1] O=C(NCC[*:1])c1cnc2SCCn2c1=O
O=C1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(F)cc2)N1 O=C1CC[C@H](N1)[*:1] O=C(N1CCC[C@H]1c1ccc(F)cc1)[*:1]
NNC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 NNC(=O)[*:1] c1ccc(cc1)COc1cccc(c1)-c1cc([nH]n1)[*:1]
NNC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 c1ccc(cc1)[*:1] NNC(=O)c1cc(n[nH]1)-c1cccc(c1)OC[*:1]
NNC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 c1ccc(cc1)C[*:1] NNC(=O)c1cc(n[nH]1)-c1cccc(c1)O[*:1]
Cc1csc(CSCCCN2C(=O)CNC2=O)n1 Cc1csc(n1)[*:1] O=C1CNC(=O)N1CCCSC[*:1]
CCc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(N1CCN(CC1)Cc1ccc2OCCc2c1)[*:1]
COCCOc1ccc(C(=O)NC(=S)N2CCCCC2)cc1 COC[*:1] O=C(NC(=S)N1CCCCC1)c1ccc(cc1)OC[*:1]
COCCOc1ccc(C(=O)NC(=S)N2CCCCC2)cc1 COCC[*:1] O=C(NC(=S)N1CCCCC1)c1ccc(cc1)O[*:1]
COCCOc1ccc(C(=O)NC(=S)N2CCCCC2)cc1 COCCO[*:1] O=C(NC(=S)N1CCCCC1)c1ccc(cc1)[*:1]
O=C([O-])C1(C/C=C/c2ccccc2)Cc2ccccc2C1 c1ccc(cc1)[*:1] O=C([O-])C1(CC=C[*:1])Cc2ccccc2C1
O=C([O-])C1(C/C=C/c2ccccc2)Cc2ccccc2C1 O=C([O-])[*:1] C(=C/c1ccccc1)\CC1(Cc2ccccc2C1)[*:1]
CC(=O)NCC(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2nccs2)CC1 CC(=O)N[*:1] Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(CC2)C(=O)C[*:1])n1
CC(=O)NCC(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2nccs2)CC1 O=C(Nc1nccs1)[*:1] CC(=O)NCC(=O)N1CCC(CC1)Cc1nn(C)cc1[*:1]
CC(=O)NCC(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2nccs2)CC1 c1csc(n1)[*:1] CC(=O)NCC(=O)N1CCC(CC1)Cc1nn(C)cc1C(=O)N[*:1]
CC(=O)NCC(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2nccs2)CC1 CC(=O)NC[*:1] Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(CC2)C(=O)[*:1])n1
COCC1=C[C@H](C[NH2+]C2CCN(c3cccc(-c4csc(C)n4)c3)CC2)N=N1 Cc1nc(cs1)[*:1] COCC1=C[C@H](C[NH2+]C2CCN(CC2)c2cccc(c2)[*:1])N=N1
COCC1=C[C@H](C[NH2+]C2CCN(c3cccc(-c4csc(C)n4)c3)CC2)N=N1 COC[*:1] Cc1nc(cs1)-c1cccc(c1)N1CCC(CC1)[NH2+]C[C@H]1C=C(N=N1)[*:1]
Cc1ccc(CN(C)c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)o1 CS(=O)(=O)[*:1] Cc1ccc(CN(C)c2ccc(cc2S(C)(=O)=O)[*:1])o1
Cc1ccc(CN(C)c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)o1 CS(=O)(=O)[*:1] Cc1ccc(CN(C)c2ccc(cc2[*:1])S(C)(=O)=O)o1
Cc1ccc(CN(C)c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)o1 Cc1ccc(o1)[*:1] CN(C[*:1])c1ccc(cc1S(C)(=O)=O)S(C)(=O)=O
Cc1ccc(CN(C)c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)o1 Cc1ccc(C[*:1])o1 CN(c1ccc(cc1S(C)(=O)=O)S(C)(=O)=O)[*:1]
Cn1nncc1CN1CCN(C(=O)c2cccc(O)c2)CC1 Cn1nncc1[*:1] O=C(c1cccc(O)c1)N1CCN(CC1)C[*:1]
Cn1nncc1CN1CCN(C(=O)c2cccc(O)c2)CC1 Oc1cccc(c1)[*:1] Cn1nncc1CN1CCN(CC1)C(=O)[*:1]
Cn1nncc1CN1CCN(C(=O)c2cccc(O)c2)CC1 Cn1nncc1C[*:1] O=C(c1cccc(O)c1)N1CCN(CC1)[*:1]
CCc1nc2c(s1)[C@H](NCc1cccc(OCC(F)F)c1)CCC2 FC(F)[*:1] CCc1nc2CCC[C@@H](NCc3cccc(c3)OC[*:1])c2s1
CCc1nc2c(s1)[C@H](NCc1cccc(OCC(F)F)c1)CCC2 FC(F)CO[*:1] CCc1nc2CCC[C@@H](NCc3cccc(c3)[*:1])c2s1
CCc1nc2c(s1)[C@H](NCc1cccc(OCC(F)F)c1)CCC2 FC(F)C[*:1] CCc1nc2CCC[C@@H](NCc3cccc(c3)O[*:1])c2s1
O=C(CCc1cn[nH]c1)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CCc1cn[nH]c1)N1CCO[C@@H](CC(c2ccccc2)[*:1])C1
O=C(CCc1cn[nH]c1)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 c1n[nH]cc1CC[*:1] O=C(N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1)[*:1]
O=C(CCc1cn[nH]c1)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 c1n[nH]cc1C[*:1] O=C(C[*:1])N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1
O=C(CCc1cn[nH]c1)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 c1n[nH]cc1[*:1] O=C(CC[*:1])N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1
COc1ccc(C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)OCc1cc(F)cc2CO[C@@H](Oc12)[*:1]
COc1ccc(C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)cc1OC COc1ccc(cc1OC)[*:1] O=C(OCc1cc(F)cc2CO[C@H](Oc12)c1ccccc1)[*:1]
COCCN1CCN([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1=O COCC[*:1] C[C@@H](c1ncc(o1)-c1ccc(Cl)cc1)N1CCN(C(=O)C1)[*:1]
COCCN1CCN([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1=O Clc1ccc(cc1)[*:1] COCCN1CCN(CC1=O)[C@@H](C)c1ncc(o1)[*:1]
COCCN1CCN([C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)CC1=O COC[*:1] C[C@@H](c1ncc(o1)-c1ccc(Cl)cc1)N1CCN(C[*:1])C(=O)C1
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] CCCN(Cc1nnc(o1)-c1ccccc1Cl)C(=O)c1ccccc1[*:1]
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1C(F)(F)F Clc1ccccc1[*:1] CCCN(Cc1nnc(o1)[*:1])C(=O)c1ccccc1C(F)(F)F
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1C(F)(F)F CCC[*:1] O=C(c1ccccc1C(F)(F)F)N(Cc1nnc(o1)-c1ccccc1Cl)[*:1]
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1nnc(C2CC2)s1 Cc1ccccc1[*:1] C[C@H](Sc1nnc(s1)C1CC1)C(=O)N[C@@H](C)[*:1]
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1nnc(C2CC2)s1 C1CC1[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1nnc(s1)[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)NC1[C@@H](C)CCC[C@@H]1C NC(=O)[*:1] Cc1ccc(cc1NC(=O)NC1[C@@H](C)CCC[C@@H]1C)[*:1]
O=C(CSc1ccncc1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 c1cc(ccn1)SC[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
O=C(CSc1ccncc1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] O=C(CSc1ccncc1)N[C@@H](c1cccc(c1)[*:1])C1CC1
O=C(CSc1ccncc1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] O=C(CSc1ccncc1)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
O=C(CSc1ccncc1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 c1cc(ccn1)S[*:1] O=C(C[*:1])N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1
O=C(CSc1ccncc1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 c1cc(ccn1)[*:1] O=C(CS[*:1])N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1
O=C(Oc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1cccc(c1)OC(=O)[*:1]
CCc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 O=S(=O)(N1CCOCC1)[*:1] CCc1ccc(cc1)C(=O)Nc1ccc(OC)c(c1)[*:1]
CCc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCOCC1)NC(=O)[*:1]
O=C(CSc1nnc(-c2ccccc2)o1)Nc1cccc(O)c1 Oc1cccc(c1)[*:1] O=C(CSc1nnc(o1)-c1ccccc1)N[*:1]
O=C(CSc1nnc(-c2ccccc2)o1)Nc1cccc(O)c1 c1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1cccc(O)c1
C[C@@H](O)[C@@H](O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@@H]12 C[C@@H](O)[C@@H](O)[*:1] CC1(C)CCC[C@@]2(C)[C@@H]1[C@@H](C=C1COC(=O)[C@@]12O)OC(=O)/C=C/C=C[*:1]
C[C@@H](O)[C@@H](O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@@H]12 C[C@@H](O)[*:1] CC1(C)CCC[C@@]2(C)[C@@H]1[C@@H](C=C1COC(=O)[C@@]12O)OC(=O)/C=C/C=C/[C@H](O)[*:1]
C[C@@H](O)[C@@H](O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@@H]12 C[C@@H](O)[C@@H](O)C=C[*:1] CC1(C)CCC[C@@]2(C)[C@@H]1[C@@H](C=C1COC(=O)[C@@]12O)OC(=O)C=C[*:1]
COc1ccc(-c2nc(CNS(=O)(=O)c3cccc(F)c3)cs2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(NCc1csc(n1)[*:1])c1cccc(F)c1
COc1ccc(-c2nc(CNS(=O)(=O)c3cccc(F)c3)cs2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)-c1nc(cs1)CNS(=O)(=O)[*:1]
Cc1cccc(NC(=O)N2CCSc3nc(C)cc(C)c32)c1 Cc1cccc(c1)[*:1] Cc1cc(C)c2c(n1)SCCN2C(=O)N[*:1]
Cc1n[nH]c(SCC(=O)Nc2ccc(C)c(F)c2)n1 Cc1n[nH]c(n1)[*:1] Cc1ccc(cc1F)NC(=O)CS[*:1]
COCc1cc(Cl)nc(NCc2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] COCc1cc(Cl)nc(n1)NCc1cccc(c1)[*:1]
COCc1cc(Cl)nc(NCc2cccc(C(F)(F)F)c2)n1 COC[*:1] FC(F)(F)c1cccc(c1)CNc1nc(Cl)cc(n1)[*:1]
CC[C@@H](CO)NC(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 CC[C@@H](CO)[*:1] COc1ccc(cc1OC)N1C[C@H](CC1=O)NC(=O)N[*:1]
CCN(CC1CC1)c1cc2c(cc1Cl)C(=O)C(=O)N2 C1CC1[*:1] CCN(C[*:1])c1cc2NC(=O)C(=O)c2cc1Cl
CCN(CC1CC1)c1cc2c(cc1Cl)C(=O)C(=O)N2 C1CC1C[*:1] CCN(c1cc2NC(=O)C(=O)c2cc1Cl)[*:1]
COc1ccc(-c2nc(C[S@](=O)Cc3cc(C)no3)co2)cc1 Cc1cc(on1)[*:1] COc1ccc(cc1)-c1nc(co1)C[S@](=O)C[*:1]
COc1ccc(-c2nc(C[S@](=O)Cc3cc(C)no3)co2)cc1 Cc1cc(C[*:1])on1 COc1ccc(cc1)-c1nc(co1)C[S@](=O)[*:1]
C=C(C)[C@H](CC(F)(F)F)[NH2+]CC C=C(C)[*:1] CC[NH2+][C@@H](CC(F)(F)F)[*:1]
C=C(C)[C@H](CC(F)(F)F)[NH2+]CC FC(F)(F)[*:1] C=C(C)[C@H](C[*:1])[NH2+]CC
COc1cc([C@H](C)NC(=O)c2cc(C3CC3)on2)cc(OC)c1OC C1CC1[*:1] COc1cc(cc(OC)c1OC)[C@H](C)NC(=O)c1cc(on1)[*:1]
COc1cc([C@H](C)NC(=O)c2cc(C3CC3)on2)cc(OC)c1OC c1c(noc1C1CC1)[*:1] COc1cc(cc(OC)c1OC)[C@H](C)NC(=O)[*:1]
CC(C)[C@]1(O)CN(C(=O)CNC(N)=O)C[C@H]1C NC(=O)N[*:1] CC(C)[C@]1(O)CN(C[C@H]1C)C(=O)C[*:1]
CC(C)[C@]1(O)CN(C(=O)CNC(N)=O)C[C@H]1C CC(C)[*:1] C[C@@H]1CN(C[C@]1(O)[*:1])C(=O)CNC(N)=O
CC(C)[C@]1(O)CN(C(=O)CNC(N)=O)C[C@H]1C NC(=O)NC[*:1] CC(C)[C@]1(O)CN(C[C@H]1C)C(=O)[*:1]
CC(C)[C@@H]1CN(Cc2ccc(O)cc2)C(C)(C)C[NH2+]1 CC(C)[*:1] CC1(C)C[NH2+][C@@H](CN1Cc1ccc(O)cc1)[*:1]
O=C1C=CC(=O)N1c1ccc(-c2csnn2)cc1 c1snnc1[*:1] O=C1C=CC(=O)N1c1ccc(cc1)[*:1]
O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 Clc1ccccc1C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nn2cc(nc2s1)-c1ccc(F)cc1
O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 Fc1ccc(cc1)[*:1] O=C(NCc1ccccc1Cl)[C@@H]1CCCN(C1)c1nn2cc(nc2s1)[*:1]
O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1 Clc1ccccc1[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nn2cc(nc2s1)-c1ccc(F)cc1
CCC(CC)[C@H]([NH3+])c1c(F)cccc1Cl CCC(CC)[*:1] [NH3+][C@H](c1c(F)cccc1Cl)[*:1]
CCc1cccc(C)c1NC(=O)Cn1c(=O)nc(N(C)c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)Cn1c(=O)nc(c2ccccc21)N(C)[*:1]
CCc1cccc(C)c1NC(=O)Cn1c(=O)nc(N(C)c2ccccc2)c2ccccc21 CCc1cccc(C)c1[*:1] CN(c1ccccc1)c1nc(=O)n(CC(=O)N[*:1])c2ccccc12
CCc1cccc(C)c1NC(=O)Cn1c(=O)nc(N(C)c2ccccc2)c2ccccc21 CN(c1ccccc1)[*:1] CCc1cccc(C)c1NC(=O)Cn1c(=O)nc(c2ccccc21)[*:1]
CC/C(=C\c1ccc(F)c(C)c1)C[NH2+]C(C)(C)C CC(C)(C)[*:1] CC/C(=C\c1ccc(F)c(C)c1)C[NH2+][*:1]
Cc1ccccc1[C@H](O)CNC(=O)Nc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccccc1[C@H](O)CNC(=O)Nc1cnn(c1)[*:1]
Cc1ccccc1[C@H](O)CNC(=O)Nc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccccc1[C@H](O)CNC(=O)Nc1cnn(c1)C[*:1]
Cc1ccccc1[C@H](O)CNC(=O)Nc1cnn(Cc2ccccc2)c1 Cc1ccccc1[*:1] O=C(NC[C@@H](O)[*:1])Nc1cnn(c1)Cc1ccccc1
COc1ccc(-c2cc(CC3(NCc4ccccc4Cl)COC3)no2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-c1cc(CC2(COC2)NC[*:1])no1
COc1ccc(-c2cc(CC3(NCc4ccccc4Cl)COC3)no2)cc1 COc1ccc(cc1)[*:1] Clc1ccccc1CNC1(COC1)Cc1cc(on1)[*:1]
COc1ccc(-c2cc(CC3(NCc4ccccc4Cl)COC3)no2)cc1 Clc1ccccc1CN[*:1] COc1ccc(cc1)-c1cc(CC2(COC2)[*:1])no1
COc1ccc(-c2cc(CC3(NCc4ccccc4Cl)COC3)no2)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)-c1cc(CC2(COC2)N[*:1])no1
COC(=O)COc1cc(C)c2c(c1)O[C@]1(C[C@@H]2c2ccccc2)CC(C)(C)NC(=O)N1 c1ccc(cc1)[*:1] COC(=O)COc1cc(C)c2c(c1)O[C@]1(C[C@H]2[*:1])CC(C)(C)NC(=O)N1
COC(=O)COc1cc(C)c2c(c1)O[C@]1(C[C@@H]2c2ccccc2)CC(C)(C)NC(=O)N1 COC(=O)C[*:1] Cc1cc(cc2O[C@]3(C[C@H](c4ccccc4)c12)CC(C)(C)NC(=O)N3)O[*:1]
COC(=O)COc1cc(C)c2c(c1)O[C@]1(C[C@@H]2c2ccccc2)CC(C)(C)NC(=O)N1 COC(=O)[*:1] Cc1cc(cc2O[C@]3(C[C@H](c4ccccc4)c12)CC(C)(C)NC(=O)N3)OC[*:1]
COC(=O)COc1cc(C)c2c(c1)O[C@]1(C[C@@H]2c2ccccc2)CC(C)(C)NC(=O)N1 COC(=O)CO[*:1] Cc1cc(cc2O[C@]3(C[C@H](c4ccccc4)c12)CC(C)(C)NC(=O)N3)[*:1]
O=C(NNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NNC(=O)[*:1])c1cccc(c1)NC(=O)c1ccco1
O=C(NNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccncc1 O=C(N[*:1])c1ccco1 O=C(NNC(=O)c1cccc(c1)[*:1])c1ccncc1
O=C(NNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccncc1 c1coc(c1)[*:1] O=C(NNC(=O)c1cccc(c1)NC(=O)[*:1])c1ccncc1
C[C@H]1C[C@@H]1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1cccs1 c1csc(c1)[*:1] C[C@H]1C[C@@H]1C(=O)OCC(=O)N[C@@H](c1ccccc1)[*:1]
C[C@H]1C[C@@H]1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)OCC(=O)N[C@@H](c1cccs1)[*:1]
C[NH2+]Cc1ccc(S(=O)(=O)NCCC(F)(F)F)c(F)c1 FC(F)(F)[*:1] C[NH2+]Cc1ccc(c(F)c1)S(=O)(=O)NCC[*:1]
C[NH2+]Cc1ccc(S(=O)(=O)NCCC(F)(F)F)c(F)c1 FC(F)(F)CC[*:1] C[NH2+]Cc1ccc(c(F)c1)S(=O)(=O)N[*:1]
C[NH2+]Cc1ccc(S(=O)(=O)NCCC(F)(F)F)c(F)c1 FC(F)(F)C[*:1] C[NH2+]Cc1ccc(c(F)c1)S(=O)(=O)NC[*:1]
COc1ccc(-c2nnc(NC(=O)C3CC3)o2)cc1 C1CC1[*:1] COc1ccc(cc1)-c1nnc(NC(=O)[*:1])o1
COc1ccc(-c2nnc(NC(=O)C3CC3)o2)cc1 O=C(N[*:1])C1CC1 COc1ccc(cc1)-c1nnc(o1)[*:1]
Cc1cc(-c2csc(CC(=O)N(C)C)n2)c(C)n1NC(=O)c1ccccc1 CN(C)C(=O)C[*:1] Cc1cc(-c2csc(n2)[*:1])c(C)n1NC(=O)c1ccccc1
Cc1cc(-c2csc(CC(=O)N(C)C)n2)c(C)n1NC(=O)c1ccccc1 CN(C)C(=O)[*:1] Cc1cc(-c2csc(C[*:1])n2)c(C)n1NC(=O)c1ccccc1
Cc1cc(-c2csc(CC(=O)N(C)C)n2)c(C)n1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(-c2csc(CC(=O)N(C)C)n2)c(C)n1NC(=O)[*:1]
CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2c(C)nn(CCOC)c2C)C12CCC2 COCC[*:1] CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2c(C)nn(c2C)[*:1])C12CCC2
CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2c(C)nn(CCOC)c2C)C12CCC2 COC[*:1] CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2c(C)nn(C[*:1])c2C)C12CCC2
CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2c(C)nn(CCOC)c2C)C12CCC2 CCO[*:1] COCCn1nc(C)c(NC(=O)N(C)[C@@H]2C[C@H](C23CCC3)[*:1])c1C
C=CCn1c(SC[C@H](C)O)nc2c1c(=O)[nH]c(=O)n2C C=CC[*:1] C[C@H](O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
C=CCn1c(SC[C@H](C)O)nc2c1c(=O)[nH]c(=O)n2C C[C@H](O)CS[*:1] C=CCn1c(nc2c1c(=O)[nH]c(=O)n2C)[*:1]
C=CCn1c(SC[C@H](C)O)nc2c1c(=O)[nH]c(=O)n2C C[C@H](O)C[*:1] C=CCn1c(nc2c1c(=O)[nH]c(=O)n2C)S[*:1]
C=CCn1c(SC[C@H](C)O)nc2c1c(=O)[nH]c(=O)n2C C[C@H](O)[*:1] C=CCn1c(nc2c1c(=O)[nH]c(=O)n2C)SC[*:1]
O=C(NNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(NNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O)c1cccc(c1)[*:1]
CC[NH2+][C@H]1CCN(Cc2nc(C)cs2)[C@H](C)[C@@H]1C Cc1csc(n1)[*:1] CC[NH2+][C@H]1CCN(C[*:1])[C@H](C)[C@@H]1C
Cc1cc(C)c(NNC(=O)[C@H](C)OCC(F)(F)F)c(C)c1 FC(F)(F)CO[*:1] Cc1cc(C)c(NNC(=O)[C@H](C)[*:1])c(C)c1
Cc1cc(C)c(NNC(=O)[C@H](C)OCC(F)(F)F)c(C)c1 FC(F)(F)C[*:1] Cc1cc(C)c(NNC(=O)[C@H](C)O[*:1])c(C)c1
Cc1cc(C)c(NNC(=O)[C@H](C)OCC(F)(F)F)c(C)c1 FC(F)(F)[*:1] Cc1cc(C)c(NNC(=O)[C@H](C)OC[*:1])c(C)c1
CC[C@H](C#N)Oc1cc(CNc2nnc(C)s2)ccc1OC Cc1nnc(s1)[*:1] CC[C@H](C#N)Oc1cc(ccc1OC)CN[*:1]
CC[C@H](C#N)Oc1cc(CNc2nnc(C)s2)ccc1OC Cc1nnc(N[*:1])s1 CC[C@H](C#N)Oc1cc(ccc1OC)C[*:1]
CCN1CCN(C(=O)c2ccc(C(F)(F)F)nc2[O-])CC1 FC(F)(F)[*:1] CCN1CCN(CC1)C(=O)c1ccc(nc1[O-])[*:1]
CC[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)Cc1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] CC[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)C[*:1]
O=C1C[C@@H](C(=O)NCCc2ccccc2)c2c(nc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)N1 O=C(NCCc1ccccc1)[*:1] O=C1C[C@@H](c2c(nc([nH]c2=O)N2CCC(CC2)Cc2ccccc2)N1)[*:1]
O=C1C[C@@H](C(=O)NCCc2ccccc2)c2c(nc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)N1 c1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)NCCc2ccccc2)c2c(nc([nH]c2=O)N2CCC(CC2)C[*:1])N1
O=C1C[C@@H](C(=O)NCCc2ccccc2)c2c(nc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)N1 c1ccc(cc1)C[*:1] O=C1C[C@@H](C(=O)NCCc2ccccc2)c2c(nc([nH]c2=O)N2CCC(CC2)[*:1])N1
O=C1C[C@@H](C(=O)NCCc2ccccc2)c2c(nc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)N1 c1ccc(cc1)CC[*:1] O=C1C[C@@H](C(=O)N[*:1])c2c(nc([nH]c2=O)N2CCC(CC2)Cc2ccccc2)N1
O=C1C[C@@H](C(=O)NCCc2ccccc2)c2c(nc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)N1 c1ccc(cc1)C[*:1] O=C1C[C@@H](C(=O)NC[*:1])c2c(nc([nH]c2=O)N2CCC(CC2)Cc2ccccc2)N1
O=C1C[C@@H](C(=O)NCCc2ccccc2)c2c(nc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)N1 c1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)NCC[*:1])c2c(nc([nH]c2=O)N2CCC(CC2)Cc2ccccc2)N1
CCCn1nccc1[C@]1(C)CCC[NH2+]1 CCC[*:1] C[C@]1(CCC[NH2+]1)c1ccnn1[*:1]
COC(=O)C1CCN(C(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)CC1 C1CC1[*:1] COC(=O)C1CCN(CC1)C(=O)c1cc(nc2c(C)cc(C)cc12)[*:1]
COC(=O)C1CCN(C(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)CC1 COC(=O)[*:1] Cc1cc(C)c2nc(cc(C(=O)N3CCC(CC3)[*:1])c2c1)C1CC1
C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 O=[N+]([O-])[*:1] C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(C(=O)[C@@H]12)c1cccc(c1)[*:1]
COc1nc(C(=O)N(CCC(F)(F)F)C2CCCC2)cc2ccccc12 FC(F)(F)CC[*:1] COc1nc(cc2ccccc12)C(=O)N(C1CCCC1)[*:1]
COc1nc(C(=O)N(CCC(F)(F)F)C2CCCC2)cc2ccccc12 FC(F)(F)C[*:1] COc1nc(cc2ccccc12)C(=O)N(C[*:1])C1CCCC1
COc1nc(C(=O)N(CCC(F)(F)F)C2CCCC2)cc2ccccc12 FC(F)(F)[*:1] COc1nc(cc2ccccc12)C(=O)N(CC[*:1])C1CCCC1
COc1nc(C(=O)N(CCC(F)(F)F)C2CCCC2)cc2ccccc12 C1CCC(C1)[*:1] COc1nc(cc2ccccc12)C(=O)N(CCC(F)(F)F)[*:1]
COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 CS(=O)(=O)[*:1] COC(=O)c1ccc(cc1)-c1csc(n1)NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 COC(=O)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CCc1ccc(C(C)(C)NC(=O)c2ccc(C(=O)N(C)C)nc2C)cc1 CCc1ccc(cc1)[*:1] Cc1nc(ccc1C(=O)NC(C)(C)[*:1])C(=O)N(C)C
CCc1ccc(C(C)(C)NC(=O)c2ccc(C(=O)N(C)C)nc2C)cc1 CN(C)C(=O)[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)c1ccc(nc1C)[*:1]
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C/C=C/c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C C(=C/c1ccccc1)\C[*:1] C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](CC4)[*:1])[C@H]3[C@H](O)[C@@]21C
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C/C=C/c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C C(=C[*:1])c1ccccc1 C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](CC4)C[*:1])[C@H]3[C@H](O)[C@@]21C
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C/C=C/c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C c1ccc(cc1)[*:1] C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](CC=C[*:1])CC4)[C@H]3[C@H](O)[C@@]21C
CCN(CCNC(=O)c1ccc(N2CCOC2=O)cc1)c1cccc(C)c1 O=C1OCCN1[*:1] CCN(CCNC(=O)c1ccc(cc1)[*:1])c1cccc(C)c1
CCN(CCNC(=O)c1ccc(N2CCOC2=O)cc1)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(CCNC(=O)c1ccc(cc1)N1CCOC1=O)[*:1]
CCc1sc(NC(=O)CC(C)(C)C)nc1-c1ccccc1 CC(C)(C)C[*:1] CCc1sc(nc1-c1ccccc1)NC(=O)[*:1]
CCc1sc(NC(=O)CC(C)(C)C)nc1-c1ccccc1 c1ccc(cc1)[*:1] CCc1sc(nc1[*:1])NC(=O)CC(C)(C)C
CCc1sc(NC(=O)CC(C)(C)C)nc1-c1ccccc1 CC(C)(C)[*:1] CCc1sc(nc1-c1ccccc1)NC(=O)C[*:1]
O=C(NCc1ccsc1)c1csc(C#CCO)c1 c1cc(cs1)[*:1] O=C(NC[*:1])c1csc(C#CCO)c1
O=C(NCc1ccsc1)c1csc(C#CCO)c1 c1cc(cs1)C[*:1] O=C(N[*:1])c1csc(C#CCO)c1
O=C(NCc1ccsc1)c1csc(C#CCO)c1 OCC#C[*:1] O=C(NCc1ccsc1)c1csc(c1)[*:1]
Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)n1 Cc1cc(C)n(C[*:1])n1 NC(=O)N1CCC[C@H](C1)C(=O)N1CCC[C@@H]1[*:1]
Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)n1 Cc1cc(C)n(n1)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N1CCC[C@@H]1C[*:1]
C[C@]1(c2cc(F)ccc2F)NC(=O)N(C[C@H]2CCCCO2)C1=O C1CC[C@@H](OC1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1cc(F)ccc1F
C[C@]1(c2cc(F)ccc2F)NC(=O)N(C[C@H]2CCCCO2)C1=O C1CC[C@H](C[*:1])OC1 C[C@@]1(NC(=O)N(C1=O)[*:1])c1cc(F)ccc1F
CC(C)c1noc([C@H](C)Nc2cc(-c3ccccc3)nc3ccnn23)n1 c1ccc(cc1)[*:1] CC(C)c1noc(n1)[C@H](C)Nc1cc(nc2ccnn12)[*:1]
CC(C)c1noc([C@H](C)Nc2cc(-c3ccccc3)nc3ccnn23)n1 CC(C)c1noc(n1)[*:1] C[C@H](Nc1cc(nc2ccnn12)-c1ccccc1)[*:1]
CC(C)c1noc([C@H](C)Nc2cc(-c3ccccc3)nc3ccnn23)n1 CC(C)[*:1] C[C@H](Nc1cc(nc2ccnn12)-c1ccccc1)c1nc(no1)[*:1]
CCOC(=O)N(C)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 CCOC(=O)N(C)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[C@H]1c1cccc(F)c1
CCOC(=O)N(C)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CCOC(=O)N(C)c1ccc(cc1)NC(=O)N1CCC[C@@H]1[*:1]
O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)N[*:1]
O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NCCc1cccs1 c1csc(c1)C[*:1] O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NC[*:1]
O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NCCc1cccs1 c1csc(c1)[*:1] O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NCC[*:1]
C[C@H](Cc1ccc(O)cc1)NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 Oc1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)N[C@@H]1CC(=O)N(C1)C1CC1
C[C@H](Cc1ccc(O)cc1)NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] C[C@H](Cc1ccc(O)cc1)NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(=O)N(CCC2=c3cc(Cl)ccc3=[NH+]C2)C1 c1cc2OCCOc2cc1[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCC2C[NH+]=c3ccc(Cl)cc3=2)C1
CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)[O-])cc1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(/C=C(\NC(=O)[*:1])C(=O)[O-])cc1
CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)[O-])cc1 CC(C)[*:1] O=C([O-])/C(=C/c1ccc(cc1)O[*:1])NC(=O)c1ccccc1
CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)[*:1])cc1
CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)[O-])cc1 CC(C)O[*:1] O=C([O-])/C(=C/c1ccc(cc1)[*:1])NC(=O)c1ccccc1
CC[S@@](=O)CCN1C(=O)NC(C)(C)C1=O CC[S@@](=O)[*:1] CC1(C)NC(=O)N(CC[*:1])C1=O
CC[S@@](=O)CCN1C(=O)NC(C)(C)C1=O CC[S@@](=O)C[*:1] CC1(C)NC(=O)N(C[*:1])C1=O
CCOc1cccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 CCO[*:1] c1cc(cc(c1)[*:1])CN1CC[NH+](CC1)C[C@H]1CCOC1
COc1ccccc1-c1nn([C@@H](Nc2ccccc2)c2ccccc2)c(=S)o1 c1ccc(cc1)[*:1] COc1ccccc1-c1nn(c(=S)o1)[C@@H](N[*:1])c1ccccc1
COc1ccccc1-c1nn([C@@H](Nc2ccccc2)c2ccccc2)c(=S)o1 c1ccc(cc1)N[*:1] COc1ccccc1-c1nn(c(=S)o1)[C@@H](c1ccccc1)[*:1]
COc1ccccc1-c1nn([C@@H](Nc2ccccc2)c2ccccc2)c(=S)o1 COc1ccccc1[*:1] S=c1oc(nn1[C@@H](Nc1ccccc1)c1ccccc1)[*:1]
COc1ccccc1-c1nn([C@@H](Nc2ccccc2)c2ccccc2)c(=S)o1 c1ccc(cc1)[*:1] COc1ccccc1-c1nn(c(=S)o1)[C@@H](Nc1ccccc1)[*:1]
O=C(c1cccc2ccccc12)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] O=C(c1cccc2ccccc12)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(c1cccc2ccccc12)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 c1coc(c1)C[*:1] O=C(c1cccc2ccccc12)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 c1ccc2sc(nc2c1)[*:1] CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(c(O)c1)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 CCS(=O)(=O)[*:1] O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccccc1[*:1]
C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cccs1)[*:1]
C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccncc1 c1csc(c1)[*:1] C[C@H](NC(=O)C1CCN(CC1)C(=O)[*:1])c1ccncc1
C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccncc1 C[C@H](c1ccncc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccs1
O=C([O-])[C@@]12CCC[C@@H](C[NH2+]1)C2 O=C([O-])[*:1] C1C[C@H]2C[NH2+][C@](C1)(C2)[*:1]
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ccccc2C(F)(F)F)cn1 Cn1cc(cn1)[*:1] O=C(NNc1ccccc1C(F)(F)F)[C@@H]1C[C@H]1[*:1]
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ccccc2C(F)(F)F)cn1 FC(F)(F)[*:1] Cn1cc(cn1)[C@@H]1C[C@H]1C(=O)NNc1ccccc1[*:1]
C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CCN1C(=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H]1CN(CCN1C(=O)[*:1])c1nc2ccccc2c2nnc(-c3cccs3)n12
C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CCN1C(=O)c1ccc(F)cc1F c1csc(c1)[*:1] C[C@H]1CN(CCN1C(=O)c1ccc(F)cc1F)c1nc2ccccc2c2nnc(n12)[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc(c1O)[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc([N+](=O)[O-])c1O Cc1cccc(C)c1[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])cc(c1O)[N+](=O)[O-]
O=C(Cc1ccc(Br)cc1)NC1CCN(C(=O)C2CCCCC2)CC1 Brc1ccc(cc1)C[*:1] O=C(C1CCCCC1)N1CCC(CC1)NC(=O)[*:1]
O=C(Cc1ccc(Br)cc1)NC1CCN(C(=O)C2CCCCC2)CC1 Brc1ccc(cc1)[*:1] O=C(C[*:1])NC1CCN(CC1)C(=O)C1CCCCC1
O=C(Cc1ccc(Br)cc1)NC1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(Cc1ccc(Br)cc1)NC1CCN(CC1)C(=O)[*:1]
CS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCCCC[C@H]1[NH3+] CS(=O)(=O)[*:1] [NH3+][C@@H]1CCCCC[C@H]1C(=O)Nc1ccccc1[*:1]
Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1Br FC(F)(F)[*:1] Cc1[nH]c2cc(ccc2c(=O)c1Br)[*:1]
COC(=O)c1cccc(S(=O)(=O)Oc2ccc(F)c(F)c2)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])S(=O)(=O)Oc1ccc(F)c(F)c1
Cc1ccc(C(=O)/N=C(\NC[C@H]2CCCO2)Nc2ccc3c(c2)OCCO3)cc1C Cc1ccc(cc1C)[*:1] O=C(/N=C(\NC[C@H]1CCCO1)Nc1ccc2OCCOc2c1)[*:1]
Cc1ccc(C(=O)/N=C(\NC[C@H]2CCCO2)Nc2ccc3c(c2)OCCO3)cc1C c1cc2OCCOc2cc1[*:1] Cc1ccc(cc1C)C(=O)/N=C(\NC[C@H]1CCCO1)N[*:1]
CC[C@@H](c1cccc(Cl)c1)[C@@H](C)O C[C@@H](O)[*:1] CC[C@@H](c1cccc(Cl)c1)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1ccccc1I)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1ccccc1I)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1ccccc1I)c1ccccc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccccc1)[*:1])Nc1ccccc1I
CC(=O)N[C@@H](CC(=O)Nc1ccccc1I)c1ccccc1 Ic1ccccc1[*:1] CC(=O)N[C@@H](CC(=O)N[*:1])c1ccccc1
COCCN1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])[C@H]1CCN(C1=O)c1ccc(Cl)cc1
COCCN1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1=O Clc1ccc(cc1)[*:1] COCCN1CCN(CC1=O)[C@H]1CCN(C1=O)[*:1]
COCCN1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1=O COCC[*:1] O=C1[C@H](CCN1c1ccc(Cl)cc1)N1CCN(C(=O)C1)[*:1]
O=C(Cn1nnc2ccccc21)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)[*:1] O=C(Cn1nnc2ccccc21)N(C[C@@H]1CCCO1)C[*:1]
O=C(Cn1nnc2ccccc21)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[*:1]
O=C(Cn1nnc2ccccc21)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)C[*:1] O=C(Cn1nnc2ccccc21)N(C[C@@H]1CCCO1)[*:1]
COc1ccc(C(=O)N2C[C@H](CN3CCOCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1OC C1CN(CCO1)C[*:1] COc1ccc(cc1OC)C(=O)N1C[C@H](c2cccc(c2)C(F)(F)F)[C@@H](C1)[*:1]
COc1ccc(C(=O)N2C[C@H](CN3CCOCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1OC FC(F)(F)c1cccc(c1)[*:1] COc1ccc(cc1OC)C(=O)N1C[C@H](CN2CCOCC2)[C@@H](C1)[*:1]
COc1ccc(C(=O)N2C[C@H](CN3CCOCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1OC C1CN(CCO1)[*:1] COc1ccc(cc1OC)C(=O)N1C[C@H](C[*:1])[C@H](C1)c1cccc(c1)C(F)(F)F
COc1ccc(C(=O)N2C[C@H](CN3CCOCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)C(=O)N1C[C@H](CN2CCOCC2)[C@H](C1)c1cccc(c1)[*:1]
COc1ccc(C(=O)N2C[C@H](CN3CCOCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N1C[C@H](CN2CCOCC2)[C@H](C1)c1cccc(c1)C(F)(F)F)[*:1]
N#Cc1ccc(C(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1 O=C([O-])[*:1] N#Cc1ccc(cc1)C(=O)N[C@@H]1C=C[C@@H](C1)[*:1]
CC(=O)OC[C@@H]1CC=CC[C@H]1C CC(=O)O[*:1] C[C@@H]1CC=CC[C@H]1C[*:1]
C[C@@H](CC1CCCC1)C(=O)NC1CCN(C(=O)c2ccco2)CC1 C1CCC(C1)[*:1] C[C@@H](C[*:1])C(=O)NC1CCN(CC1)C(=O)c1ccco1
C[C@@H](CC1CCCC1)C(=O)NC1CCN(C(=O)c2ccco2)CC1 C1CCC(C1)C[*:1] C[C@@H](C(=O)NC1CCN(CC1)C(=O)c1ccco1)[*:1]
C[C@@H](CC1CCCC1)C(=O)NC1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] C[C@@H](CC1CCCC1)C(=O)NC1CCN(CC1)C(=O)[*:1]
CN(C)C(=O)CN(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 CN(C)C(=O)C[*:1] CN(C(=O)/C=C/c1ccc(s1)-c1ccc(F)cc1)[*:1]
CN(C)C(=O)CN(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)/C=C/c1ccc(s1)-c1ccc(F)cc1
CN(C)C(=O)CN(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] CN(C)C(=O)CN(C)C(=O)/C=C/c1ccc(s1)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(Nc1ccccc1Cl)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)c(C)c1 Clc1ccccc1[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CNC(=O)NCC(=O)NCc1csc(C(C)(C)C)n1 CNC(=O)N[*:1] CC(C)(C)c1nc(cs1)CNC(=O)C[*:1]
CNC(=O)NCC(=O)NCc1csc(C(C)(C)C)n1 CC(C)(C)[*:1] CNC(=O)NCC(=O)NCc1csc(n1)[*:1]
CNC(=O)NCC(=O)NCc1csc(C(C)(C)C)n1 CNC(=O)NC[*:1] CC(C)(C)c1nc(cs1)CNC(=O)[*:1]
CC[C@@](O)(C(=O)[O-])[C@H]1CCCc2ccccc21 O=C([O-])[*:1] CC[C@@](O)([C@H]1CCCc2ccccc21)[*:1]
COc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C)cc1 FC(F)(F)[*:1] COc1ccc(cc1)NC(=O)C(=O)Nc1cc(ccc1C)[*:1]
COc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)C(=O)N[*:1])C(F)(F)F
C[NH+](C)CCCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 Brc1cccc(c1)[*:1] C[NH+](C)CCCNC(=O)c1cc(nc2ccccc12)[*:1]
COc1ccc(Cl)cc1NC(=O)C1CCN(c2cc(-n3ccnc3C)ncn2)CC1 Cc1nccn1[*:1] COc1ccc(Cl)cc1NC(=O)C1CCN(CC1)c1cc(ncn1)[*:1]
COc1ccc(Cl)cc1NC(=O)C1CCN(c2cc(-n3ccnc3C)ncn2)CC1 COc1ccc(Cl)cc1[*:1] Cc1nccn1-c1cc(ncn1)N1CCC(CC1)C(=O)N[*:1]
NOCCCc1ccccc1 NOC[*:1] c1ccc(cc1)CC[*:1]
Cc1ccc(NC(=O)CCSc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CCSc1nc2ccccc2n1S(=O)(=O)[*:1]
Cc1ccc(NC(=O)CCSc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CCSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)N[*:1]
Cc1ccc(NC(=O)CCSc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=S(=O)(c1ccccc1)n1c(nc2ccccc21)SCC[*:1]
C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)N[*:1]
C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)[*:1]
CCc1ccc(Nc2nnc(SCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)s2)cc1 CCc1ccc(cc1)N[*:1] O=C(CSc1nnc(s1)[*:1])N1CCN(CC1)C(=O)Nc1ccccc1
CCc1ccc(Nc2nnc(SCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)s2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)Nc1nnc(SCC(=O)N2CCN(CC2)C(=O)N[*:1])s1
CCc1ccc(Nc2nnc(SCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)s2)cc1 CCc1ccc(cc1)[*:1] O=C(CSc1nnc(N[*:1])s1)N1CCN(CC1)C(=O)Nc1ccccc1
Cc1nc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1 N#Cc1cccc(c1)[*:1] Cc1nc(C)c(C#N)c(n1)S[C@@H](C)C(=O)N[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)CN2CCCCCC2=O)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](O)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)CN2CCCCCC2=O)cc1 O=C1CCCCCN1[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)C[*:1]
CSCC(=O)NNC(=O)NCCCn1ccc2ccccc21 CSC[*:1] O=C(NCCCn1ccc2ccccc21)NNC(=O)[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)Cc1c[nH]c2cc(F)ccc12 COc1ccccc1[*:1] O=C(Cc1c[nH]c2cc(F)ccc12)N1CCC[C@H]1[*:1]
CCOC(=O)C(C)(C)Sc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1 CCOC(=O)[*:1] CC(C)(Sc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1)[*:1]
CCOC(=O)C(C)(C)Sc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1 Fc1ccc(cc1)[*:1] CCOC(=O)C(C)(C)Sc1nc2c(cnn2[*:1])c(=O)[nH]1
CCOC(=O)C(C)(C)Sc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[nH]1 CCOC(=O)C(C)(C)[*:1] O=c1[nH]c(nc2c1cnn2-c1ccc(F)cc1)S[*:1]
O=C([O-])[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1ccncc1Cl O=C([O-])[*:1] O=C(c1ccncc1Cl)N1[C@H]2CC[C@@H]1[C@@H](C2)[*:1]
O=C(NCCO)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 O=C(NCCO)[*:1] O=C1C[C@H](CN1c1n[nH]c2cc(Br)ccc12)[*:1]
O=C(NCCO)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 OCC[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1n[nH]c2cc(Br)ccc12
CC(C)n1c([C@H](C)[NH2+]C2CCN(C(N)=O)CC2)nc2ccccc21 CC(C)[*:1] C[C@H]([NH2+]C1CCN(CC1)C(N)=O)c1nc2ccccc2n1[*:1]
c1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ncc[nH]2)cc1 C1CN(CCO1)CC[*:1] c1ccc(cc1)-c1ncn(C[*:1])c1-c1ncc[nH]1
c1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ncc[nH]2)cc1 C1CN(CCO1)C[*:1] c1ccc(cc1)-c1ncn(CC[*:1])c1-c1ncc[nH]1
c1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ncc[nH]2)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)-c1ncn(CCC[*:1])c1-c1ncc[nH]1
c1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ncc[nH]2)cc1 c1ccc(cc1)[*:1] c1c[nH]c(n1)-c1c(ncn1CCCN1CCOCC1)[*:1]
c1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ncc[nH]2)cc1 c1c[nH]c(n1)[*:1] c1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1[*:1]
C[C@H]1CN(CC(=O)NC(=O)Nc2ccccc2)c2ccccc2NC1=O c1ccc(cc1)[*:1] C[C@H]1CN(CC(=O)NC(=O)N[*:1])c2ccccc2NC1=O
CC(C)N1C[C@@H](C(=O)N2C[C@H](O)[C@H](O)C2)CC1=O CC(C)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1C[C@H](O)[C@H](O)C1
CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cncnc4)C3)cc2N1 CC(C)[*:1] O=C(c1cncnc1)N1CC[C@@H](C1)c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cncnc4)C3)cc2N1 FC(F)(F)[*:1] CC(C)[C@@H]1C[C@H](n2nc(cc2N1)[C@H]1CCN(C1)C(=O)c1cncnc1)[*:1]
CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cncnc4)C3)cc2N1 c1ncc(cn1)[*:1] CC(C)[C@@H]1C[C@@H](n2nc(cc2N1)[C@H]1CCN(C1)C(=O)[*:1])C(F)(F)F
COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1N Nc1cc(F)ccc1[*:1] COc1ccccc1NC(=O)[C@@H](C)OC(=O)[*:1]
COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1N COc1ccccc1[*:1] C[C@@H](OC(=O)c1ccc(F)cc1N)C(=O)N[*:1]
Cc1cc(F)cc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 FC(F)(F)[*:1] Cc1cc(F)cc(c1)NC(=O)[C@@]1(CC[NH2+]C1)[*:1]
C=C(C)C[C@@H](O)[C@]1([NH+](C)C)CCC[C@@H](C)C1 C=C(C)C[*:1] C[C@@H]1CCC[C@](C1)([C@H](O)[*:1])[NH+](C)C
C=C(C)C[C@@H](O)[C@]1([NH+](C)C)CCC[C@@H](C)C1 C=C(C)[*:1] C[C@@H]1CCC[C@](C1)([C@H](O)C[*:1])[NH+](C)C
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 C=C(C)[*:1] CCN(C[*:1])C(=O)[C@@H](C)Sc1nc(n[nH]1)-c1ccc(C)cc1
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 C=C(C)C[*:1] CCN(C(=O)[C@@H](C)Sc1nc(n[nH]1)-c1ccc(C)cc1)[*:1]
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 Cc1ccc(cc1)[*:1] C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(n[nH]1)[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 C1CN(CCO1)[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)NC[C@@]1(CCSC1)[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 N#Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)NC[C@@]1(CCSC1)N1CCOCC1
CCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1c[nH+]cn1C1CC1 CCC[*:1] O=C([O-])[C@H]1CC(=O)N([C@H]1c1c[nH+]cn1C1CC1)[*:1]
CCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1c[nH+]cn1C1CC1 O=C([O-])[*:1] CCCN1C(=O)C[C@H]([C@@H]1c1c[nH+]cn1C1CC1)[*:1]
CCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1c[nH+]cn1C1CC1 C1CC1[*:1] CCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1c[nH+]cn1[*:1]
O=C(CNC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)N[*:1]
O=C(CNC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)NCc1ccccc1 Clc1cccc(c1)[*:1] O=C(CNC(=O)N[C@@H]1C[C@@H]1[*:1])NCc1ccccc1
O=C(CNC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)NC[*:1]
O=C([O-])CCCCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O O=C([O-])CCC[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC[*:1]
O=C([O-])CCCCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O O=C([O-])CC[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCC[*:1]
O=C([O-])CCCCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O O=C([O-])C[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCCC[*:1]
O=C([O-])CCCCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O O=C([O-])[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCCCC[*:1]
CCCN1C(=O)C2(OCCCO2)c2ccc(Cl)c(Cl)c21 CCC[*:1] O=C1N(c2c(ccc(Cl)c2Cl)C12OCCCO2)[*:1]
CCC[NH2+][C@@H](Cc1cc(C)nn1C)C[NH+](C)C CCC[*:1] Cc1cc(C[C@@H](C[NH+](C)C)[NH2+][*:1])n(C)n1
Cn1cnn(-c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)c1=O Cn1cnn(c1=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1COc2ccccc2O1
C[C@@H](NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)NC1C(C)(C)SC1(C)C O=C([O-])[*:1] C[C@@H](NC(=O)[C@@H]([NH3+])C[*:1])C(=O)NC1C(C)(C)SC1(C)C
CC[C@@](C)(Nc1cc([N+](=O)[O-])ccc1C)C(=O)[O-] O=[N+]([O-])[*:1] CC[C@@](C)(Nc1cc(ccc1C)[*:1])C(=O)[O-]
CC[C@@](C)(Nc1cc([N+](=O)[O-])ccc1C)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(Nc1cc(ccc1C)[N+](=O)[O-])[*:1]
CCNc1ccc(S(=O)(=O)[N-]c2cccnc2C)cn1 CCN[*:1] Cc1ncccc1[N-]S(=O)(=O)c1ccc(nc1)[*:1]
C=CCNC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1C C=CC[*:1] Cc1ccc(cc1N[C@@H](C)C(=O)N[*:1])C(F)(F)F
C=CCNC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1C C=CCNC(=O)[*:1] Cc1ccc(cc1N[C@@H](C)[*:1])C(F)(F)F
C=CCNC(=O)[C@H](C)Nc1cc(C(F)(F)F)ccc1C FC(F)(F)[*:1] C=CCNC(=O)[C@H](C)Nc1cc(ccc1C)[*:1]
O=C(NCc1nc2ccccc2[nH]1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 C1CC1[*:1] O=C(NCc1nc2ccccc2[nH]1)c1cc(NC(=O)[*:1])n(n1)-c1ccccc1
O=C(NCc1nc2ccccc2[nH]1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NC[*:1])c1cc(NC(=O)C2CC2)n(n1)-c1ccccc1
O=C(NCc1nc2ccccc2[nH]1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCc1nc2ccccc2[nH]1)c1cc(NC(=O)C2CC2)n(n1)[*:1]
O=C(NCc1nc2ccccc2[nH]1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 c1ccc2[nH]c(C[*:1])nc2c1 O=C(N[*:1])c1cc(NC(=O)C2CC2)n(n1)-c1ccccc1
O=C(NCc1nc2ccccc2[nH]1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 O=C(N[*:1])C1CC1 O=C(NCc1nc2ccccc2[nH]1)c1cc(n(n1)-c1ccccc1)[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccccc1N1CCCCC1 CS(=O)(=O)N[*:1] C[C@@H](C(=O)Nc1ccccc1N1CCCCC1)[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccccc1[*:1]
CC(C)n1nccc1NC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 CC(C)[*:1] O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)Nc1ccnn1[*:1]
CC[C@H](C)CN(CC)C(=O)c1ccnc(NN)c1 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)c1ccnc(c1)NN
CC[C@H](C)CN(CC)C(=O)c1ccnc(NN)c1 CC[C@H](C)C[*:1] CCN(C(=O)c1ccnc(c1)NN)[*:1]
CO[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1 CC(C)O[*:1] CO[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CO[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1 CO[C@H](C)[*:1] CC(C)Oc1ccc(cc1)NC(=O)[*:1]
CO[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1 CC(C)[*:1] CO[C@H](C)C(=O)Nc1ccc(cc1)O[*:1]
CCOc1ccccc1/C=C/C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 Cc1occc1C(=O)N[*:1] CCOc1ccccc1/C=C/C(=O)N1CCC(CC1)[*:1]
CCOc1ccccc1/C=C/C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 CCOc1ccccc1[*:1] Cc1occc1C(=O)NC1CCN(CC1)C(=O)C=C[*:1]
CCOc1ccccc1/C=C/C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 Cc1occc1[*:1] CCOc1ccccc1/C=C/C(=O)N1CCC(CC1)NC(=O)[*:1]
CCOc1ccccc1/C=C/C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 CCO[*:1] Cc1occc1C(=O)NC1CCN(CC1)C(=O)/C=C/c1ccccc1[*:1]
CC(=O)Nc1ccc(Cl)c(NC(=O)CCCOc2cccnc2)c1 CC(=O)N[*:1] O=C(CCCOc1cccnc1)Nc1cc(ccc1Cl)[*:1]
CC(=O)Nc1ccc(Cl)c(NC(=O)CCCOc2cccnc2)c1 c1cncc(c1)O[*:1] CC(=O)Nc1ccc(Cl)c(c1)NC(=O)CCC[*:1]
CC(=O)Nc1ccc(Cl)c(NC(=O)CCCOc2cccnc2)c1 c1cncc(c1)OC[*:1] CC(=O)Nc1ccc(Cl)c(c1)NC(=O)CC[*:1]
CC(=O)Nc1ccc(Cl)c(NC(=O)CCCOc2cccnc2)c1 c1cncc(c1)[*:1] CC(=O)Nc1ccc(Cl)c(c1)NC(=O)CCCO[*:1]
Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@H](C#N)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(C)c(c1)-n1c(C)nnc1SCC(=O)N[C@H](C#N)[*:1]
Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@H](C#N)C(C)(C)C)c1 Cc1ccc(C)c(c1)[*:1] Cc1nnc(SCC(=O)N[C@H](C#N)C(C)(C)C)n1[*:1]
COC(=O)c1sc(N2CCC[C@H]2[C@@H](C#N)c2ccccc2)nc1Cl c1ccc(cc1)[*:1] COC(=O)c1sc(nc1Cl)N1CCC[C@H]1[C@@H](C#N)[*:1]
COC(=O)c1sc(N2CCC[C@H]2[C@@H](C#N)c2ccccc2)nc1Cl COC(=O)[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1nc(Cl)c(s1)[*:1]
O=CC1=CCC[C@@H]([N+](=O)[O-])C1 O=[N+]([O-])[*:1] O=CC1=CCC[C@@H](C1)[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1OCc1nc(N)nc(N(C)C)n1 CN(C)[*:1] Cc1ccc(c(C)c1OCc1nc(N)nc(n1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1OCc1nc(N)nc(N(C)C)n1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1OCc1nc(N)nc(n1)N(C)C)[*:1]
COCCOC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1 COC[*:1] Cc1cc(/C=C(/C#N)C(=O)OC[*:1])cc(C)c1O
COCCOC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1 COCC[*:1] Cc1cc(/C=C(/C#N)C(=O)O[*:1])cc(C)c1O
CC(C)COCCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] CC(C)COCCNC(=O)[C@@H]1CCCN1C(=O)[*:1]
CC(C)COCCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 CC(C)CO[*:1] O=C(NCC[*:1])[C@@H]1CCCN1C(=O)C1CC1
CC(C)COCCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 CC(C)[*:1] O=C(NCCOC[*:1])[C@@H]1CCCN1C(=O)C1CC1
CC(C)COCCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 CC(C)COC[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)C1CC1
CC(C)COCCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 CC(C)C[*:1] O=C(NCCO[*:1])[C@@H]1CCCN1C(=O)C1CC1
CCc1ccc2nc(N3CCN(C(=O)CS(=O)(=O)c4ccc(OC)cc4)CC3)sc2c1 COc1ccc(cc1)[*:1] CCc1ccc2nc(sc2c1)N1CCN(CC1)C(=O)CS(=O)(=O)[*:1]
CC(C)n1ncc2cc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cnc21 CC(C)[*:1] O=C(Nc1cnc2c(cnn2[*:1])c1)c1c[nH]c2cc(Cl)ccc12
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])cc3n2)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)-c1cc(n2nc(cc2n1)[*:1])C(F)(F)F
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])cc3n2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)-c1cc(n2nc(cc2n1)C(=O)[O-])[*:1]
C[C@H]1CC[C@H](C)N(C(=O)Nc2ccccc2-c2ccncc2)C1 c1cc(ccn1)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)Nc1ccccc1[*:1]
Cc1ccc(CC(=O)Nc2cc(-c3cccs3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])Nc1cc(no1)-c1cccs1
Cc1ccc(CC(=O)Nc2cc(-c3cccs3)no2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)CC(=O)Nc1cc(no1)[*:1]
CC1(C)CCCN1C(=O)NCCc1cccc(C(N)=O)c1 NC(=O)[*:1] CC1(C)CCCN1C(=O)NCCc1cccc(c1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)N[C@@H](C)Cc1ccc(O)cc1 Cc1cccc(c1)C[*:1] CCN(C(=O)N[C@@H](C)Cc1ccc(O)cc1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)N[C@@H](C)Cc1ccc(O)cc1 Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)N[C@@H](C)Cc1ccc(O)cc1
CCN(Cc1cccc(C)c1)C(=O)N[C@@H](C)Cc1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCN(Cc1cccc(C)c1)C(=O)N[C@@H](C)C[*:1]
CCN(Cc1cccc(C)c1)C(=O)N[C@@H](C)Cc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] CCN(Cc1cccc(C)c1)C(=O)N[C@@H](C)[*:1]
Cc1ccc2c(c1)CCCN2C(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1 Cc1cc(C)n(n1)[*:1] Cc1ccc2c(c1)CCCN2C(=O)C1CCN(CC1)c1ccc(nn1)[*:1]
CC[C@@H](Nc1cc(C)c(NC(C)=O)c(C)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](Nc1cc(C)c(NC(C)=O)c(C)c1)[*:1]
CC[C@@H](Nc1cc(C)c(NC(C)=O)c(C)c1)c1ccccc1 CC(=O)N[*:1] CC[C@@H](Nc1cc(C)c(c(C)c1)[*:1])c1ccccc1
Cc1c(C(=O)N2CCO[C@@](C)(C(N)=O)C2)oc2ccccc12 NC(=O)[*:1] Cc1c(oc2ccccc12)C(=O)N1CCO[C@@](C)(C1)[*:1]
COc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 COc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1sc2CCCc2c1C#N
CO[C@@H](CNC(=O)CN(C)C(=O)c1ccccc1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)CN(C)C(=O)[*:1])c1cccc(Cl)c1
CO[C@@H](CNC(=O)CN(C)C(=O)c1ccccc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@@H](CNC(=O)CN(C)C(=O)c1ccccc1)[*:1]
O=C(CCc1ccco1)NCc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] O=C(CCc1ccco1)NCc1ccc(cc1)[*:1]
O=C(CCc1ccco1)NCc1ccc(CN2CCCC2=O)cc1 c1coc(c1)C[*:1] O=C(C[*:1])NCc1ccc(cc1)CN1CCCC1=O
O=C(CCc1ccco1)NCc1ccc(CN2CCCC2=O)cc1 c1coc(c1)CC[*:1] O=C1CCCN1Cc1ccc(cc1)CNC(=O)[*:1]
O=C(CCc1ccco1)NCc1ccc(CN2CCCC2=O)cc1 c1coc(c1)[*:1] O=C(CC[*:1])NCc1ccc(cc1)CN1CCCC1=O
O=C(CCc1ccco1)NCc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(CCc1ccco1)NCc1ccc(cc1)C[*:1]
CCSCC[C@H](C)NC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 CCSC[*:1] C[C@@H](C[*:1])NC(=O)N1CCN(CC1)c1ccc(cc1)C(N)=O
CCSCC[C@H](C)NC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 CCSCC[*:1] C[C@H](NC(=O)N1CCN(CC1)c1ccc(cc1)C(N)=O)[*:1]
CCSCC[C@H](C)NC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 NC(=O)[*:1] CCSCC[C@H](C)NC(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
CCSCC[C@H](C)NC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 CCS[*:1] C[C@@H](CC[*:1])NC(=O)N1CCN(CC1)c1ccc(cc1)C(N)=O
CC(=O)N(c1nccs1)C1CCCCC1 c1csc(n1)[*:1] CC(=O)N(C1CCCCC1)[*:1]
CCOc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O CCO[*:1] O=C1/C(=C/C2=Cc3ccccc3OC2)Oc2cc(ccc21)[*:1]
CC[C@H](C)NC(=O)CSc1nncn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H](C)NC(=O)CSc1nncn1[*:1]
CC[C@H](C)NC(=O)CSc1nncn1-c1cccc(Cl)c1 CC[C@H](C)NC(=O)[*:1] Clc1cccc(c1)-n1cnnc1SC[*:1]
CC[C@H](C)NC(=O)CSc1nncn1-c1cccc(Cl)c1 CC[C@H](C)[*:1] O=C(CSc1nncn1-c1cccc(Cl)c1)N[*:1]
C[C@@H]1CCC[C@@H](OC(=O)c2cccc(CN3CCCC3=O)c2)C1 O=C1CCCN1C[*:1] C[C@@H]1CCC[C@H](C1)OC(=O)c1cccc(c1)[*:1]
C[C@@H]1CCC[C@@H](OC(=O)c2cccc(CN3CCCC3=O)c2)C1 O=C1CCCN1[*:1] C[C@@H]1CCC[C@H](C1)OC(=O)c1cccc(c1)C[*:1]
C[C@@H](Sc1nnnn1-c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](Sc1nnnn1-c1cccc(F)c1)c1cccc(c1)[*:1]
C[C@@H](Sc1nnnn1-c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 Fc1cccc(c1)[*:1] C[C@@H](Sc1nnnn1[*:1])c1cccc(c1)[N+](=O)[O-]
COc1ccccc1N1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] COc1ccccc1N1CCN(CC1)CC(=O)N(C)C[*:1]
COc1ccccc1N1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 COc1ccccc1[*:1] CN(Cc1ccc(Cl)s1)C(=O)CN1CCN(CC1)[*:1]
COc1ccccc1N1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 Clc1ccc(C[*:1])s1 COc1ccccc1N1CCN(CC1)CC(=O)N(C)[*:1]
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(Br)c[nH]1 C1CCN(CC1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])c1cc(Br)c[nH]1
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(Br)c[nH]1 Brc1c[nH]c(c1)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCC1)[*:1]
O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)C(F)(F)F FC(F)(F)[*:1] O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)[*:1]
Cc1ccc([C@@]2(C[NH2+]C(C)C)CC[C@@H]2C)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@]1(CC[C@@H]1C)C[NH2+][*:1]
O=C([O-])Cc1csc(NC(=O)c2ccccc2Cl)n1 O=C([O-])[*:1] O=C(Nc1nc(cs1)C[*:1])c1ccccc1Cl
O=C([O-])Cc1csc(NC(=O)c2ccccc2Cl)n1 O=C([O-])C[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1Cl
CCC[C@H]([NH2+]CC)[C@H]1CN(C(C)C)CCO1 CCC[*:1] CC[NH2+][C@H]([C@H]1CN(CCO1)C(C)C)[*:1]
CCC[C@H]([NH2+]CC)[C@H]1CN(C(C)C)CCO1 CC(C)[*:1] CCC[C@H]([NH2+]CC)[C@H]1CN(CCO1)[*:1]
COC(=O)[C@@H](C)CN(C)c1ncnc(OC)c1[N+](=O)[O-] COC(=O)[C@@H](C)[*:1] COc1ncnc(c1[N+](=O)[O-])N(C)C[*:1]
COC(=O)[C@@H](C)CN(C)c1ncnc(OC)c1[N+](=O)[O-] COC(=O)[*:1] COc1ncnc(c1[N+](=O)[O-])N(C)C[C@H](C)[*:1]
COC(=O)[C@@H](C)CN(C)c1ncnc(OC)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)[C@@H](C)CN(C)c1ncnc(OC)c1[*:1]
C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O)c1ccc2c(c1)OCCO2 FC(F)O[*:1] C[C@H](NC(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)[*:1])c1ccc2OCCOc2c1
C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C[C@H](NC(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)OC(F)F)[*:1]
C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O)c1ccc2c(c1)OCCO2 FC(F)Oc1ccc(cc1)[*:1] C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1])c1ccc2OCCOc2c1
C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O)c1ccc2c(c1)OCCO2 FC(F)[*:1] C[C@H](NC(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)O[*:1])c1ccc2OCCOc2c1
CS[C@H]1CC[C@@H](NC(=O)[C@H](C)NC(=O)c2cccs2)C1 c1csc(c1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)[C@H](C)NC(=O)[*:1]
COC(=O)CCn1ccc2c(Cl)cccc21 COC(=O)[*:1] Clc1cccc2c1ccn2CC[*:1]
COC(=O)CCn1ccc2c(Cl)cccc21 COC(=O)C[*:1] Clc1cccc2c1ccn2C[*:1]
NC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(Cl)s2)CC1 NC(=O)[*:1] O=C(NCc1ccc(Cl)s1)NC1CC[NH+](CC1)C[*:1]
NC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(Cl)s2)CC1 NC(=O)C[*:1] O=C(NCc1ccc(Cl)s1)NC1CC[NH+](CC1)[*:1]
NC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(Cl)s2)CC1 Clc1ccc(C[*:1])s1 NC(=O)C[NH+]1CCC(CC1)NC(=O)N[*:1]
NC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)NC[*:1]
CC[C@H](NC(=O)Nc1nc(C(C)C)nn1C)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC[C@H](NC(=O)Nc1nc(nn1C)C(C)C)[*:1]
CC[C@H](NC(=O)Nc1nc(C(C)C)nn1C)c1ccc(F)cc1F CC(C)[*:1] CC[C@H](NC(=O)Nc1nc(nn1C)[*:1])c1ccc(F)cc1F
CCc1ccc([C@H](C)C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1 CCc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)CS(N)(=O)=O)[*:1]
CCc1ccc([C@H](C)C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1 NS(=O)(=O)C[*:1] CCc1ccc(cc1)[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCc1ccc([C@H](C)C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1 NS(=O)(=O)[*:1] CCc1ccc(cc1)[C@H](C)C(=O)Nc1ccc(cc1)C[*:1]
FC(F)(F)c1cnn(-c2nc(Br)cs2)c1 FC(F)(F)[*:1] Brc1csc(n1)-n1cc(cn1)[*:1]
O=C([O-])c1nc2ccc(Cl)cc2cc1F O=C([O-])[*:1] Fc1cc2cc(Cl)ccc2nc1[*:1]
O=C(NC[C@H](O)C1CCOCC1)C(=O)Nc1c(F)cccc1F C1CC(CCO1)[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1c(F)cccc1F
COc1ccc2cc([C@H](C)[NH2+][C@H]3CC(=O)N(C4CC4)C3)ccc2c1 C1CC1[*:1] COc1ccc2cc(ccc2c1)[C@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1]
Cc1oc(C(=O)N2C[C@@H](C)Oc3ccccc32)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N1C[C@@H](C)Oc2ccccc21
C/C(=N/NC(=O)c1ccccn1)c1ccccc1Cl c1ccc(nc1)[*:1] C/C(=N/NC(=O)[*:1])c1ccccc1Cl
Cc1csc([C@H](C)NC(=O)/C=C/c2cc(Br)cs2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)/C=C/c1cc(Br)cs1)[*:1]
Cc1csc([C@H](C)NC(=O)/C=C/c2cc(Br)cs2)n1 Brc1csc(c1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)C=C[*:1]
C[C@H](c1cccnc1)N(C)C(=O)c1cc2c(cc1O)OCO2 c1cncc(c1)[*:1] C[C@H](N(C)C(=O)c1cc2OCOc2cc1O)[*:1]
Nc1cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)ccc1Cl c1ccc(cc1)[*:1] Nc1cc(ccc1Cl)C(=O)O[C@H](C(=O)NC1CC1)[*:1]
Nc1cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)ccc1Cl O=C(NC1CC1)[*:1] Nc1cc(ccc1Cl)C(=O)O[C@H](c1ccccc1)[*:1]
Nc1cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)ccc1Cl C1CC1[*:1] Nc1cc(ccc1Cl)C(=O)O[C@H](C(=O)N[*:1])c1ccccc1
Nc1cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)ccc1Cl Nc1cc(ccc1Cl)[*:1] O=C(NC1CC1)[C@@H](OC(=O)[*:1])c1ccccc1
CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1 Fc1ccc(cc1)[*:1] CCN(C[C@@H](C)C#N)C(=O)c1cc(c(C)s1)[*:1]
C[C@H](CC#N)N(C)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 CC(C)(C)OC(=O)N[*:1] C[C@H](CC#N)N(C)C(=O)Nc1cccc(c1)C[*:1]
C[C@H](CC#N)N(C)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 N#CC[*:1] C[C@H](N(C)C(=O)Nc1cccc(c1)CNC(=O)OC(C)(C)C)[*:1]
C[C@H](CC#N)N(C)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] C[C@H](CC#N)N(C)C(=O)Nc1cccc(c1)CNC(=O)O[*:1]
Cc1noc(C)c1CN1CCC[NH2+][C@H](C(C)C)C1 CC(C)[*:1] Cc1noc(C)c1CN1CCC[NH2+][C@H](C1)[*:1]
CCOC(=O)c1c(NC(=O)NC2CCCCC2)sc(C)c1C C1CCC(CC1)[*:1] CCOC(=O)c1c(NC(=O)N[*:1])sc(C)c1C
CCOC(=O)c1c(NC(=O)NC2CCCCC2)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)NC2CCCCC2)c(c1C)[*:1]
CSc1nnc(CCNC(=O)c2ccc(-n3cccn3)cc2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1nnc(CCNC(=O)c2ccc(cc2)-n2cccn2)n1[*:1]
CSc1nnc(CCNC(=O)c2ccc(-n3cccn3)cc2)n1-c1ccc(F)cc1 c1cnn(c1)[*:1] CSc1nnc(CCNC(=O)c2ccc(cc2)[*:1])n1-c1ccc(F)cc1
COc1ccc(C2=C[C@H](C(=O)N3CCN(C(=O)c4ccccc4Br)CC3)N=N2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccc1Br)N1CCN(CC1)C(=O)[C@H]1C=C(N=N1)[*:1]
COc1ccc(C2=C[C@H](C(=O)N3CCN(C(=O)c4ccccc4Br)CC3)N=N2)cc1 Brc1ccccc1[*:1] COc1ccc(cc1)C1=C[C@@H](N=N1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCc3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C(c1cn(nc1[*:1])-c1ccccc1)N1CCCc2ccccc21
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCc3ccccc32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1C(=O)N1CCCc2ccccc21)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc(C)c(C)c2C#N)C1=O Cc1sc(c(C#N)c1C)[*:1] CC[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc(C)c(C)c2C#N)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)Nc2sc(C)c(C)c2C#N)C1=O)[*:1]
CCCc1nc(CS(=O)(=O)CC(=O)Nc2ccc(Cl)cc2C)no1 Cc1cc(Cl)ccc1[*:1] CCCc1nc(CS(=O)(=O)CC(=O)N[*:1])no1
CCCc1nc(CS(=O)(=O)CC(=O)Nc2ccc(Cl)cc2C)no1 CCC[*:1] Cc1cc(Cl)ccc1NC(=O)CS(=O)(=O)Cc1noc(n1)[*:1]
CCCc1nc(CS(=O)(=O)CC(=O)Nc2ccc(Cl)cc2C)no1 CCCc1nc(no1)[*:1] Cc1cc(Cl)ccc1NC(=O)CS(=O)(=O)C[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCC(C)C COC(=O)[*:1] CC(C)CCC(=O)N[C@H]1CCCCC[C@@H]1[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCC(C)C CC(C)CC[*:1] COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCC(C)C CC(C)C[*:1] COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)C[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCC(C)C CC(C)[*:1] COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CC[*:1]
COC1CCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)CC1 c1coc(c1)[*:1] COC1CCN(CC1)S(=O)(=O)N1CCC[C@H]1[*:1]
COC(=O)c1cc(Cl)nc(Br)c1 COC(=O)[*:1] Clc1cc(cc(Br)n1)[*:1]
Cc1nc([C@H](C)Nc2nc(C(C)(C)C)nc3c2cnn3C)cs1 CC(C)(C)[*:1] Cc1nc(cs1)[C@H](C)Nc1nc(nc2c1cnn2C)[*:1]
Cc1nc([C@H](C)Nc2nc(C(C)(C)C)nc3c2cnn3C)cs1 Cc1nc(cs1)[*:1] C[C@H](Nc1nc(nc2c1cnn2C)C(C)(C)C)[*:1]
CC1=C(C)C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)[C@H](C(=O)[O-])C1 c1ccc(cc1)[*:1] CC1C[C@@H](C(=O)[O-])[C@@H](CC=1C)C(=O)N[C@@H](C)CC[*:1]
CC1=C(C)C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)[C@H](C(=O)[O-])C1 c1ccc(cc1)CC[*:1] CC1C[C@@H](C(=O)[O-])[C@@H](CC=1C)C(=O)N[C@@H](C)[*:1]
CC1=C(C)C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)[C@H](CC=1C)[*:1]
CC1=C(C)C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)[C@H](C(=O)[O-])C1 c1ccc(cc1)C[*:1] CC1C[C@@H](C(=O)[O-])[C@@H](CC=1C)C(=O)N[C@@H](C)C[*:1]
CCN(C(=O)[C@H](C)c1ccsc1)c1ccc(Br)cn1 c1cc(cs1)[*:1] CCN(C(=O)[C@H](C)[*:1])c1ccc(Br)cn1
Cc1csc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 Cc1csc(n1)[*:1] Cn1nc(ccc1=O)C(=O)N1CCC[C@@H](C1)[*:1]
C[C@@H](NCC1(c2ccc(F)cc2)CC1)c1ccc(S(N)(=O)=O)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NCC1(CC1)[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H](NCC1(c2ccc(F)cc2)CC1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](NCC1(CC1)c1ccc(F)cc1)c1ccc(cc1)[*:1]
CCC[NH2+][C@H](Cc1cccc(O)c1)[C@@H]1CN(C)CCO1 CCC[*:1] CN1CCO[C@@H](C1)[C@@H](Cc1cccc(O)c1)[NH2+][*:1]
CCCN1CCO[C@H](c2noc(C3(C(=O)OC)CC3)n2)C1 COC(=O)[*:1] CCCN1CCO[C@@H](C1)c1noc(n1)C1(CC1)[*:1]
CCCN1CCO[C@H](c2noc(C3(C(=O)OC)CC3)n2)C1 CCC[*:1] COC(=O)C1(CC1)c1nc(no1)[C@@H]1CN(CCO1)[*:1]
CCCN1CCO[C@H](c2noc(C3(C(=O)OC)CC3)n2)C1 COC(=O)C1(CC1)[*:1] CCCN1CCO[C@@H](C1)c1noc(n1)[*:1]
C[C@H](c1ccncc1)N(C)C(=O)NCc1ccccc1OC(C)(C)C c1cc(ccn1)[*:1] C[C@H](N(C)C(=O)NCc1ccccc1OC(C)(C)C)[*:1]
C[C@H](c1ccncc1)N(C)C(=O)NCc1ccccc1OC(C)(C)C CC(C)(C)[*:1] C[C@H](c1ccncc1)N(C)C(=O)NCc1ccccc1O[*:1]
C[C@H](c1ccncc1)N(C)C(=O)NCc1ccccc1OC(C)(C)C CC(C)(C)O[*:1] C[C@H](c1ccncc1)N(C)C(=O)NCc1ccccc1[*:1]
Cn1cccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O Cn1cccc1[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)Nc1ccc(Cl)cc1
Cn1cccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] Cn1cccc1/C=C1\SC(=O)N(CC(=O)N[*:1])C1=O
CC(C)CC(=O)NCCc1ccccc1 CC(C)C[*:1] O=C(NCCc1ccccc1)[*:1]
CC(C)CC(=O)NCCc1ccccc1 CC(C)[*:1] O=C(C[*:1])NCCc1ccccc1
COC[C@@H](C)n1cc(C(=O)c2cc(C)ccc2O)cc(C#N)c1=O COC[*:1] Cc1ccc(O)c(c1)C(=O)c1cc(C#N)c(=O)n(c1)[C@H](C)[*:1]
COC[C@@H](C)n1cc(C(=O)c2cc(C)ccc2O)cc(C#N)c1=O Cc1ccc(O)c(c1)[*:1] COC[C@@H](C)n1cc(cc(C#N)c1=O)C(=O)[*:1]
COC(=O)[C@]1(C(C)C)O[C@]1(C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)[C@@]1(O[C@]1(C)c1cccc(c1)[*:1])C(C)C
COC(=O)[C@]1(C(C)C)O[C@]1(C)c1cccc(C(F)(F)F)c1 CC(C)[*:1] COC(=O)[C@@]1(O[C@]1(C)c1cccc(c1)C(F)(F)F)[*:1]
COC(=O)[C@]1(C(C)C)O[C@]1(C)c1cccc(C(F)(F)F)c1 COC(=O)[*:1] CC(C)[C@@]1(O[C@]1(C)c1cccc(c1)C(F)(F)F)[*:1]
CC[NH2+]C[C@H](C)Cc1c(C)nn(Cc2ccccc2)c1C c1ccc(cc1)C[*:1] CC[NH2+]C[C@H](C)Cc1c(C)nn(c1C)[*:1]
CC[NH2+]C[C@H](C)Cc1c(C)nn(Cc2ccccc2)c1C c1ccc(cc1)[*:1] CC[NH2+]C[C@H](C)Cc1c(C)nn(C[*:1])c1C
COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(Cc5ccccn5)c4ncn3n2)cc1 c1ccc(C[*:1])nc1 COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(c4ncn3n2)[*:1])cc1
COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(Cc5ccccn5)c4ncn3n2)cc1 COc1ccc(/C=N/O[*:1])cc1 Cc1c(C)n(Cc2ccccn2)c2ncn3nc(C[*:1])nc3c12
COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(Cc5ccccn5)c4ncn3n2)cc1 c1ccc(nc1)[*:1] COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(C[*:1])c4ncn3n2)cc1
COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(Cc5ccccn5)c4ncn3n2)cc1 COc1ccc(cc1)[*:1] Cc1c(C)n(Cc2ccccn2)c2ncn3nc(CON=C[*:1])nc3c12
CC(C)NC(=O)CCNC(=O)c1cnc(Cc2ccc(F)cc2)s1 CC(C)NC(=O)C[*:1] O=C(NC[*:1])c1cnc(Cc2ccc(F)cc2)s1
CC(C)NC(=O)CCNC(=O)c1cnc(Cc2ccc(F)cc2)s1 CC(C)[*:1] O=C(CCNC(=O)c1cnc(Cc2ccc(F)cc2)s1)N[*:1]
CC(C)NC(=O)CCNC(=O)c1cnc(Cc2ccc(F)cc2)s1 Fc1ccc(cc1)C[*:1] CC(C)NC(=O)CCNC(=O)c1cnc(s1)[*:1]
CC(C)NC(=O)CCNC(=O)c1cnc(Cc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] CC(C)NC(=O)CCNC(=O)c1cnc(C[*:1])s1
CC(C)NC(=O)CCNC(=O)c1cnc(Cc2ccc(F)cc2)s1 CC(C)NC(=O)CC[*:1] O=C(N[*:1])c1cnc(Cc2ccc(F)cc2)s1
CC(C)NC(=O)CCNC(=O)c1cnc(Cc2ccc(F)cc2)s1 CC(C)NC(=O)[*:1] O=C(NCC[*:1])c1cnc(Cc2ccc(F)cc2)s1
COc1c(C(=O)N2CCO[C@@H](C(N)=O)C2)sc(C)c1Br NC(=O)[*:1] COc1c(sc(C)c1Br)C(=O)N1CCO[C@@H](C1)[*:1]
Nc1cc(CSc2ccc(C(F)(F)F)cn2)ccc1O FC(F)(F)[*:1] Nc1cc(ccc1O)CSc1ccc(cn1)[*:1]
NC(=O)[C@@H]1C2=C(CCCC2)S[C@H]1NC(=O)CS[C@@H]1N=Nc2nc3ccccc3n21 NC(=O)[*:1] O=C(CS[C@@H]1N=Nc2nc3ccccc3n21)N[C@@H]1SC2CCCCC=2[C@H]1[*:1]
CC(C)C(=O)Nc1c(N)cnn1C CC(C)[*:1] Cn1ncc(N)c1NC(=O)[*:1]
CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c3cccc(F)c23)C1 CC(C)(C)[*:1] O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@H](CNC(=O)[*:1])C1
CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c3cccc(F)c23)C1 CC(C)(C)C(=O)NC[*:1] O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@@H](C1)[*:1]
CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c3cccc(F)c23)C1 CC(C)(C)C(=O)N[*:1] O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@@H](C1)C[*:1]
CSc1ccc(C(=O)/C=C/c2ccsc2)cc1 c1cc(cs1)[*:1] CSc1ccc(cc1)C(=O)C=C[*:1]
NC1=[NH+]C[C@H](c2cccc(F)c2)N1Cc1cccs1 c1csc(c1)[*:1] NC1=[NH+]C[C@H](c2cccc(F)c2)N1C[*:1]
NC1=[NH+]C[C@H](c2cccc(F)c2)N1Cc1cccs1 c1csc(c1)C[*:1] NC1=[NH+]C[C@H](c2cccc(F)c2)N1[*:1]
C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cc1csc(n1)[*:1])c1ccc2OCCOc2c1
CC1(C)C[C@@H]1[NH2+]Cc1ccc(C(=O)[O-])cn1 O=C([O-])[*:1] CC1(C)C[C@@H]1[NH2+]Cc1ccc(cn1)[*:1]
CC(=O)Nc1ccc(/C=N/NC(=O)c2cc(F)c(F)cc2Cl)cc1 CC(=O)N[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])c1cc(F)c(F)cc1Cl
Cc1ccc(C)c([C@H]([NH3+])CCCCC(=O)[O-])c1 O=C([O-])CC[*:1] Cc1ccc(C)c(c1)[C@H]([NH3+])CC[*:1]
Cc1ccc(C)c([C@H]([NH3+])CCCCC(=O)[O-])c1 O=C([O-])C[*:1] Cc1ccc(C)c(c1)[C@H]([NH3+])CCC[*:1]
Cc1ccc(C)c([C@H]([NH3+])CCCCC(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)[C@H]([NH3+])CCCC[*:1]
CC(C)c1cnc(C[NH2+][C@](C)(CO)C2CCCCC2)o1 C1CCC(CC1)[*:1] CC(C)c1cnc(C[NH2+][C@](C)(CO)[*:1])o1
CC(C)c1cnc(C[NH2+][C@](C)(CO)C2CCCCC2)o1 CC(C)[*:1] C[C@](CO)([NH2+]Cc1ncc(o1)[*:1])C1CCCCC1
Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C[C@@H]2C)c1 Cc1cccc(c1)[*:1] C[C@H]1CN(CCN1[*:1])S(=O)(=O)c1ccc2NC(=O)CCCc2c1
CC[C@@H](CSC)N(C)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O CSC[*:1] CC[C@@H](N(C)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] CC[C@@H](CSC)N(C)C(=O)N[C@H]1CCCN(C1=O)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] CC[C@@H](CSC)N(C)C(=O)N[C@H]1CCCN(C[*:1])C1=O
CC(C)CCn1c(N2CC[NH2+]CC2)nc2c1c(=O)n(C)c(=O)n2C CC(C)C[*:1] Cn1c(=O)c2c(nc(N3CC[NH2+]CC3)n2C[*:1])n(C)c1=O
CC(C)CCn1c(N2CC[NH2+]CC2)nc2c1c(=O)n(C)c(=O)n2C CC(C)[*:1] Cn1c(=O)c2c(nc(N3CC[NH2+]CC3)n2CC[*:1])n(C)c1=O
CC(C)CCn1c(N2CC[NH2+]CC2)nc2c1c(=O)n(C)c(=O)n2C CC(C)CC[*:1] Cn1c(=O)c2c(nc(N3CC[NH2+]CC3)n2[*:1])n(C)c1=O
CCC(=O)N1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2ccccc2Cl)CC1 CCC(=O)N1CCN(CC1)[*:1] O=C(NC(=S)Nc1cccc(Cl)c1[*:1])c1ccccc1Cl
CCC(=O)N1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CCC(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=S)NC(=O)[*:1]
Cc1cc(=O)[nH]c(-c2ccc(NCc3ccccc3C)nc2)n1 Cc1ccccc1[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(nc1)NC[*:1]
COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(OC)c1OC(C)C CC(C)[*:1] COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(OC)c1O[*:1]
COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(OC)c1OC(C)C CC(C)O[*:1] COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(OC)c1[*:1]
COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(OC)c1OC(C)C COC(=O)[*:1] COc1cccc(c1OC(C)C)[C@H]1Nc2ccccc2NC2C[C@H](C)[C@H](C(=O)C=21)[*:1]
CC(C)c1ccc(N2/C(=N/C(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)N1/C(=N/C(=O)CO[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CC(C)c1ccc(N2/C(=N/C(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 c1ccc(cc1)O[*:1] CC(C)c1ccc(cc1)N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CC(C)c1ccc(N2/C(=N/C(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 CC(C)c1ccc(cc1)[*:1] O=C(COc1ccccc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CC(C)c1ccc(N2/C(=N/C(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 c1ccc(cc1)OC[*:1] CC(C)c1ccc(cc1)N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CC(C)c1ccc(N2/C(=N/C(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 CC(C)[*:1] O=C(COc1ccccc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(cc1)[*:1]
C[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2OC)c(F)c1 CO[C@H]1CCC[C@@H]1[*:1] C[NH2+]Cc1ccc(c(F)c1)S(=O)(=O)N[*:1]
CC(C)N(C(=O)NC(=O)Nc1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] CC(C)N(C(=O)NC(=O)N[*:1])S(C)(=O)=O
CC(C)N(C(=O)NC(=O)Nc1ccccc1)S(C)(=O)=O CC(C)[*:1] CS(=O)(=O)N(C(=O)NC(=O)Nc1ccccc1)[*:1]
O=C1[C@H]2CCCCN2C(=O)CCN1C[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C1[C@H]2CCCCN2C(=O)CCN1C[*:1]
C[C@@H](Cc1cccs1)NC(=O)C(=O)Nc1cc(F)cc(F)c1 c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1cc(F)cc(F)c1
C[C@@H](Cc1cccs1)NC(=O)C(=O)Nc1cc(F)cc(F)c1 c1csc(c1)C[*:1] C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)[*:1]
COc1cccc(C(=O)O[C@H](C)C(F)(F)F)c1F FC(F)(F)[*:1] COc1cccc(C(=O)O[C@H](C)[*:1])c1F
COc1cccc(C(=O)O[C@H](C)C(F)(F)F)c1F C[C@H](C(F)(F)F)[*:1] COc1cccc(C(=O)O[*:1])c1F
CN(CC1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])cn1C O=[N+]([O-])[*:1] CN(CC1CC[NH2+]CC1)C(=O)c1cc(cn1C)[*:1]
CCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1C c1ccc(cc1)O[*:1] CCC(=O)Nc1cccc(NC(=O)[C@H](C)[*:1])c1C
CCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1C c1ccc(cc1)[*:1] CCC(=O)Nc1cccc(NC(=O)[C@H](C)O[*:1])c1C
CCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1C CCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)[C@H](C)Oc1ccccc1
c1cnc(N2CCC[C@@H](C[NH2+]Cc3cnc4cnccn34)C2)nc1 c1cnc(nc1)[*:1] c1cn2c(cnc2cn1)C[NH2+]C[C@@H]1CCCN(C1)[*:1]
Cc1c([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C(C)C)cnn1C O=C([O-])[*:1] Cc1c(cnn1C)[C@@H]1[C@H](CC(=O)N1C(C)C)[*:1]
Cc1c([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C(C)C)cnn1C CC(C)[*:1] Cc1c(cnn1C)[C@@H]1[C@@H](CC(=O)N1[*:1])C(=O)[O-]
CNC(=O)CN1CCN(C(=O)c2cccc(OC)n2)CC1 CNC(=O)[*:1] COc1cccc(n1)C(=O)N1CCN(CC1)C[*:1]
CNC(=O)CN1CCN(C(=O)c2cccc(OC)n2)CC1 CNC(=O)C[*:1] COc1cccc(n1)C(=O)N1CCN(CC1)[*:1]
CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)/C=C/c3cccnc3)cc21 c1cncc(c1)[*:1] CC(C)(C)C(=O)N1CCOc2ccc(cc21)NC(=O)C=C[*:1]
CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)/C=C/c3cccnc3)cc21 CC(C)(C)[*:1] O=C(/C=C/c1cccnc1)Nc1ccc2OCCN(C(=O)[*:1])c2c1
CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)/C=C/c3cccnc3)cc21 C(=C[*:1])c1cccnc1 CC(C)(C)C(=O)N1CCOc2ccc(cc21)NC(=O)[*:1]
COc1ccc(C)cc1N(CC(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O c1cc2OCOc2cc1[*:1] COc1ccc(C)cc1N(CC(=O)NC[*:1])S(C)(=O)=O
COc1ccc(C)cc1N(CC(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O COc1ccc(C)cc1[*:1] CS(=O)(=O)N(CC(=O)NCc1ccc2OCOc2c1)[*:1]
C#CCN(CC(=O)[O-])C(=O)[C@H]1C[NH2+]C[C@H]1C C#CC[*:1] C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)[C@H]1C[NH2+]C[C@H]1C O=C([O-])C[*:1] C#CCN(C(=O)[C@H]1C[NH2+]C[C@H]1C)[*:1]
C#CCN(CC(=O)[O-])C(=O)[C@H]1C[NH2+]C[C@H]1C O=C([O-])[*:1] C#CCN(C[*:1])C(=O)[C@H]1C[NH2+]C[C@H]1C
COC[C@@H](NCc1cnc2ccsc2c1)c1ccc(F)c(F)c1 COC[*:1] Fc1ccc(cc1F)[C@H](NCc1cnc2ccsc2c1)[*:1]
Cc1nn(CC(=O)NNC(=O)c2ccc(Br)cc2)c(C)c1[N+](=O)[O-] Brc1ccc(cc1)[*:1] Cc1nn(CC(=O)NNC(=O)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CC(=O)NNC(=O)c2ccc(Br)cc2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)NNC(=O)c2ccc(Br)cc2)c(C)c1[*:1]
CCc1nn(C)c(NCC[C@@H](C)[S@@](C)=O)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(NCC[C@@H](C)[S@@](C)=O)c1[*:1]
CO[C@H](C)C(=O)Oc1ccc(Br)cc1Br CO[C@H](C)[*:1] O=C(Oc1ccc(Br)cc1Br)[*:1]
CS(=O)(=O)N(CCCC(=O)Nc1cccnc1)c1cc(Cl)ccc1Cl c1cncc(c1)[*:1] CS(=O)(=O)N(CCCC(=O)N[*:1])c1cc(Cl)ccc1Cl
CS(=O)(=O)N(CCCC(=O)Nc1cccnc1)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] CS(=O)(=O)N(CCCC(=O)Nc1cccnc1)[*:1]
Cc1cn2c(=O)c(C(=O)N[C@H]3CCC[C@@H](C4CC4)C3)cnc2s1 C1CC1[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
COc1ccccc1NC(=O)c1sc2ncn(C[C@@H](O)CO)c(=O)c2c1C COc1ccccc1[*:1] Cc1c(sc2ncn(C[C@@H](O)CO)c(=O)c12)C(=O)N[*:1]
CCOC(=O)C1=C(C)C(C(=O)Nc2ccc(OC)c(Cl)c2)=N[C@H]1C CCOC(=O)[*:1] COc1ccc(cc1Cl)NC(=O)C1=N[C@@H](C)C(=C1C)[*:1]
O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1=NN(c2ccccc2)C(=O)CC1 Clc1ccccc1[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])C1CCC(=O)N(N=1)c1ccccc1
O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC(=O)N(N=1)[*:1]
Cc1cc([C@H](C)NC(=O)NCCc2nnc3n2CCCCC3)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)NCCc1nnc2CCCCCn21)[*:1]
Cc1nn(C2CCCCC2)c2[nH]c(-c3ccccn3)nc12 c1ccc(nc1)[*:1] Cc1nn(c2[nH]c(nc12)[*:1])C1CCCCC1
Cc1nn(C2CCCCC2)c2[nH]c(-c3ccccn3)nc12 C1CCC(CC1)[*:1] Cc1nn(c2[nH]c(nc12)-c1ccccn1)[*:1]
Cc1nn([C@H]2CCC[C@]([NH3+])(C(N)=O)C2)cc1Cl NC(=O)[*:1] Cc1nn(cc1Cl)[C@H]1CCC[C@]([NH3+])(C1)[*:1]
O=C1CCCN1Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 O=C1CCCN1C[*:1] c1csc(c1)-c1n[nH]cc1C[NH2+]Cc1ccc(cc1)[*:1]
O=C1CCCN1Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 c1csc(c1)[*:1] O=C1CCCN1Cc1ccc(cc1)C[NH2+]Cc1c[nH]nc1[*:1]
O=C1CCCN1Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 O=C1CCCN1[*:1] c1csc(c1)-c1n[nH]cc1C[NH2+]Cc1ccc(cc1)C[*:1]
C[C@H](Sc1ccccn1)C(=O)N(C)CCCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1ccccn1)C(=O)N(C)CCC[*:1]
C[C@H](Sc1ccccn1)C(=O)N(C)CCCc1ccccc1 c1ccc(nc1)S[*:1] C[C@H](C(=O)N(C)CCCc1ccccc1)[*:1]
C[C@H](Sc1ccccn1)C(=O)N(C)CCCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Sc1ccccn1)C(=O)N(C)CC[*:1]
C[C@H](Sc1ccccn1)C(=O)N(C)CCCc1ccccc1 c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)N(C)CCCc1ccccc1
Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1Oc1ccc(Cl)cc1Cl O=C([O-])C[*:1] Cc1oc2cc(ccc2c(=O)c1Oc1ccc(Cl)cc1Cl)O[*:1]
Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1Oc1ccc(Cl)cc1Cl O=C([O-])CO[*:1] Cc1oc2cc(ccc2c(=O)c1Oc1ccc(Cl)cc1Cl)[*:1]
Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1Oc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] Cc1oc2cc(ccc2c(=O)c1O[*:1])OCC(=O)[O-]
Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1Oc1ccc(Cl)cc1Cl O=C([O-])[*:1] Cc1oc2cc(ccc2c(=O)c1Oc1ccc(Cl)cc1Cl)OC[*:1]
Cc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cc(C)ccc4C)cc32)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NCc1ccc2CCN(C(=O)[*:1])c2c1
Cc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cc(C)ccc4C)cc32)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)C(=O)N1CCc2ccc(cc21)CNS(=O)(=O)[*:1]
CCC[C@]1(C)CC(=O)NC(=O)[C@@H]1c1cccc(C)c1 CCC[*:1] Cc1cccc(c1)[C@H]1C(=O)NC(=O)C[C@]1(C)[*:1]
COc1cccc(CC(CO)(CO)Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CC(CO)(CO)C[*:1]
COc1cccc(CC(CO)(CO)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)CC(CO)(CO)[*:1]
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(Cc3c(F)cccc3F)C3CCCC3)cc2)C[C@H](C)O1 Fc1cccc(F)c1[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N(C[*:1])C1CCCC1
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(Cc3c(F)cccc3F)C3CCCC3)cc2)C[C@H](C)O1 C1CCC(C1)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N(Cc1c(F)cccc1F)[*:1]
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(Cc3c(F)cccc3F)C3CCCC3)cc2)C[C@H](C)O1 Fc1cccc(F)c1C[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N(C1CCCC1)[*:1]
CCOC(=O)Cn1/c(=N/C(=O)CN(C)S(C)(=O)=O)sc2c(C)cc(C)cc21 CCOC(=O)[*:1] Cc1cc(C)c2s/c(=N\C(=O)CN(C)S(C)(=O)=O)n(C[*:1])c2c1
CCOC(=O)Cn1/c(=N/C(=O)CN(C)S(C)(=O)=O)sc2c(C)cc(C)cc21 CCOC(=O)C[*:1] Cc1cc(C)c2s/c(=N\C(=O)CN(C)S(C)(=O)=O)n(c2c1)[*:1]
CCOC(=O)Cn1/c(=N/C(=O)CN(C)S(C)(=O)=O)sc2c(C)cc(C)cc21 CN(S(C)(=O)=O)[*:1] CCOC(=O)Cn1/c(=N/C(=O)C[*:1])sc2c(C)cc(C)cc21
CCOC(=O)Cn1/c(=N/C(=O)CN(C)S(C)(=O)=O)sc2c(C)cc(C)cc21 CN(C[*:1])S(C)(=O)=O CCOC(=O)Cn1/c(=N/C(=O)[*:1])sc2c(C)cc(C)cc21
Cc1cc(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)no1 Cc1cc(no1)[*:1] O=C(NC[*:1])N[C@@H]1CCCC[C@@H]1CO
Nc1nnc(SCC(=O)Nc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)s1 Nc1nnc(SC[*:1])s1 O=C(Nc1ccccc1NC(=O)[*:1])c1ccc(cc1)C(F)(F)F
Nc1nnc(SCC(=O)Nc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)s1 FC(F)(F)[*:1] Nc1nnc(SCC(=O)Nc2ccccc2NC(=O)c2ccc(cc2)[*:1])s1
Nc1nnc(SCC(=O)Nc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)s1 Nc1nnc(S[*:1])s1 O=C(C[*:1])Nc1ccccc1NC(=O)c1ccc(cc1)C(F)(F)F
Nc1nnc(SCC(=O)Nc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)s1 Nc1nnc(s1)[*:1] O=C(CS[*:1])Nc1ccccc1NC(=O)c1ccc(cc1)C(F)(F)F
Nc1nnc(SCC(=O)Nc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)s1 FC(F)(F)c1ccc(cc1)[*:1] Nc1nnc(SCC(=O)Nc2ccccc2NC(=O)[*:1])s1
Cc1c(C(=O)N2CCCC[C@@H]2CNC(N)=O)nnn1-c1cccc2ncccc12 NC(=O)N[*:1] Cc1c(nnn1-c1cccc2ncccc12)C(=O)N1CCCC[C@@H]1C[*:1]
Cc1c(C(=O)N2CCCC[C@@H]2CNC(N)=O)nnn1-c1cccc2ncccc12 NC(=O)NC[*:1] Cc1c(nnn1-c1cccc2ncccc12)C(=O)N1CCCC[C@H]1[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Br)cc2)o1 Brc1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(o1)S[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Br)cc2)o1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H]1c1nnc(o1)SCc1ccc(Br)cc1
CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(o1)SC[*:1]
C[C@@H](CC(=O)NCCc1c[nH]c2ccccc12)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)NCCc1c[nH]c2ccccc12)NC(=O)[*:1]
O=C(OCc1ccccc1)N(C[C@H]1CCC[NH2+]1)C1CC1 C1CC1[*:1] O=C(OCc1ccccc1)N(C[C@H]1CCC[NH2+]1)[*:1]
O=C(OCc1ccccc1)N(C[C@H]1CCC[NH2+]1)C1CC1 c1ccc(cc1)[*:1] O=C(OC[*:1])N(C[C@H]1CCC[NH2+]1)C1CC1
Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=O)CC(C)(C)C2 Ic1ccc(cc1)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)N[*:1]
COC(=O)CCC[NH2+][C@H]1CCCc2cccnc21 COC(=O)CC[*:1] c1cnc2c(c1)CCC[C@@H]2[NH2+]C[*:1]
COC(=O)CCC[NH2+][C@H]1CCCc2cccnc21 COC(=O)[*:1] c1cnc2c(c1)CCC[C@@H]2[NH2+]CCC[*:1]
COC(=O)CCC[NH2+][C@H]1CCCc2cccnc21 COC(=O)C[*:1] c1cnc2c(c1)CCC[C@@H]2[NH2+]CC[*:1]
COC(=O)c1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)ccn1 COC(=O)[*:1] C[C@@H](NC(=O)c1ccnc(c1)[*:1])c1cc2ccccc2o1
COc1ccc(NC(=O)N2CC[NH+](C(C)C)CC2)cc1C CC(C)[*:1] COc1ccc(cc1C)NC(=O)N1CC[NH+](CC1)[*:1]
C[C@@H](NC(=O)CCC(=O)N1CCOCC1(C)C)C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCC(=O)N1CCOCC1(C)C)C(=O)[*:1]
C[C@@H](NC(=O)CCC(=O)N1CCOCC1(C)C)C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] C[C@@H](NC(=O)CCC(=O)N1CCOCC1(C)C)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)CCc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)N1CCCC1)C1CCN(CC1)C(=O)C[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)CCc3ccccc3)CC2)c1 Cc1cccc(c1)C(=O)N[*:1] O=C(CCc1ccccc1)N1CCC(CC1)[C@@H](C(=O)N1CCCC1)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)CCc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)N1CCCC1)C1CCN(CC1)C(=O)CC[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)CCc3ccccc3)CC2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)C(=O)N[C@H](C1CCN(CC1)C(=O)CCc1ccccc1)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)CCc3ccccc3)CC2)c1 c1ccc(cc1)CC[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)N1CCCC1)C1CCN(CC1)C(=O)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)CCc3ccccc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CCc1ccccc1)N1CCC(CC1)[C@H](NC(=O)[*:1])C(=O)N1CCCC1
Cc1cc(C)c(CNC(=O)N(Cc2cccc(O)c2)C2CC2)c(=O)[nH]1 C1CC1[*:1] Cc1cc(C)c(CNC(=O)N(Cc2cccc(O)c2)[*:1])c(=O)[nH]1
Cc1cc(C)c(CNC(=O)N(Cc2cccc(O)c2)C2CC2)c(=O)[nH]1 Oc1cccc(c1)C[*:1] Cc1cc(C)c(CNC(=O)N(C2CC2)[*:1])c(=O)[nH]1
Cc1cc(C)c(CNC(=O)N(Cc2cccc(O)c2)C2CC2)c(=O)[nH]1 Oc1cccc(c1)[*:1] Cc1cc(C)c(CNC(=O)N(C[*:1])C2CC2)c(=O)[nH]1
CC(C)(C)NC(=O)NC(=O)CSc1nc(-c2ccncc2)n[nH]1 c1cc(ccn1)[*:1] CC(C)(C)NC(=O)NC(=O)CSc1nc(n[nH]1)[*:1]
CC(C)(C)NC(=O)NC(=O)CSc1nc(-c2ccncc2)n[nH]1 CC(C)(C)[*:1] O=C(CSc1nc(n[nH]1)-c1ccncc1)NC(=O)N[*:1]
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])Nc1ccccc1
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nnnc1SCC(=O)N[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 Cc1noc(C)c1[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)N[C@H](C)[*:1]
CC[C@H](CC[NH3+])NC(=O)C1(CC)CCCC1 [NH3+]CC[*:1] CC[C@H](NC(=O)C1(CC)CCCC1)[*:1]
O=C1C[C@H](N2CCN(c3cccc[nH+]3)CC2)C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)N1[*:1])N1CCN(CC1)c1cccc[nH+]1
CSc1ccc(NC(=O)c2ccc(SC(C)C)cc2)cc1 CC(C)S[*:1] CSc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CSc1ccc(NC(=O)c2ccc(SC(C)C)cc2)cc1 CC(C)[*:1] CSc1ccc(cc1)NC(=O)c1ccc(cc1)S[*:1]
Cc1ccc(NC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cc(C)c(s1)-c1ccc(F)cc1
Cc1ccc(NC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)cc1S(=O)(=O)N1CCOCC1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)NC(=O)c1cc(C)c(s1)[*:1]
C[C@H]1C[C@H]1C(=O)Nc1ccc(/C([O-])=N/S(=O)(=O)c2ccccc2Cl)cc1 C[C@H]1C[C@H]1C(=O)N[*:1] O=S(=O)(/N=C(\[O-])c1ccc(cc1)[*:1])c1ccccc1Cl
C[C@H]1C[C@H]1C(=O)Nc1ccc(/C([O-])=N/S(=O)(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] C[C@H]1C[C@H]1C(=O)Nc1ccc(cc1)/C([O-])=N/S(=O)(=O)[*:1]
C[NH2+]C[C@@H](CCc1cccs1)c1ccccc1Br c1csc(c1)C[*:1] C[NH2+]C[C@@H](C[*:1])c1ccccc1Br
C[NH2+]C[C@@H](CCc1cccs1)c1ccccc1Br c1csc(c1)[*:1] C[NH2+]C[C@@H](CC[*:1])c1ccccc1Br
CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)n1cnc2ccccc2c1=O CC(=O)N[*:1] CC[C@@H](C(=O)Nc1ccc(cc1)[*:1])n1cnc2ccccc2c1=O
COC1CCC(CC(=O)N2CCC(O)(C(F)(F)F)CC2)CC1 FC(F)(F)[*:1] COC1CCC(CC1)CC(=O)N1CCC(O)(CC1)[*:1]
COc1ccc2c(c1)[C@]([NH3+])(CC[C@H]1CCCO1)CCC2 C1CO[C@H](C1)C[*:1] COc1ccc2CCC[C@@]([NH3+])(C[*:1])c2c1
COc1ccc2c(c1)[C@]([NH3+])(CC[C@H]1CCCO1)CCC2 C1CO[C@H](C1)[*:1] COc1ccc2CCC[C@@]([NH3+])(CC[*:1])c2c1
N=C1NC(=O)N(CC2CC2)C12C1CC3CC(C1)CC2C3 C1CC1[*:1] N=C1NC(=O)N(C[*:1])C12C1CC3CC(C1)CC2C3
N=C1NC(=O)N(CC2CC2)C12C1CC3CC(C1)CC2C3 C1CC1C[*:1] N=C1NC(=O)N(C12C1CC3CC(C1)CC2C3)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([C@@H](C)O)c1 C[C@@H](O)[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([C@@H](C)O)c1 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1cccc(c1)[C@@H](C)O
Nc1[nH]nc(C(=O)NCc2ccc3nonc3c2)c1-c1ccccc1 c1ccc(cc1)[*:1] Nc1[nH]nc(C(=O)NCc2ccc3nonc3c2)c1[*:1]
COc1cccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4o3)C2)c1 COc1cccc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2ccccc2o1
COc1cccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4o3)C2)c1 c1ccc2oc(nc2c1)[*:1] COc1cccc(c1)CNC(=O)[C@H]1CCCN(C1)[*:1]
COc1cccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4o3)C2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nc2ccccc2o1
O=Cc1nc2ccccc2n1CCCCOc1ccccc1 c1ccc(cc1)O[*:1] O=Cc1nc2ccccc2n1CCCC[*:1]
O=Cc1nc2ccccc2n1CCCCOc1ccccc1 c1ccc(cc1)[*:1] O=Cc1nc2ccccc2n1CCCCO[*:1]
C[C@H](C(=O)NCCOc1cccnc1)c1ccc2c(c1)OCCO2 c1cncc(c1)OC[*:1] C[C@H](C(=O)NC[*:1])c1ccc2OCCOc2c1
C[C@H](C(=O)NCCOc1cccnc1)c1ccc2c(c1)OCCO2 c1cncc(c1)O[*:1] C[C@H](C(=O)NCC[*:1])c1ccc2OCCOc2c1
C[C@H](C(=O)NCCOc1cccnc1)c1ccc2c(c1)OCCO2 c1cncc(c1)[*:1] C[C@H](C(=O)NCCO[*:1])c1ccc2OCCOc2c1
COC(=O)c1c2c(cc3nc4ccccc4nc13)OCO2 COC(=O)[*:1] c1ccc2nc3c(c4OCOc4cc3nc2c1)[*:1]
CC(C)c1ccccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 CC(C)[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@@H](C1)C(F)(F)F
CC(C)c1ccccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CC(C)c1ccccc1NC(=O)N1CCC[C@H](C1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)Cc1csc(-c2ccc(C)o2)n1 CCS(=O)(=O)C[*:1] Cc1ccc(o1)-c1nc(cs1)CC(=O)N(C)C[*:1]
CCS(=O)(=O)CCN(C)C(=O)Cc1csc(-c2ccc(C)o2)n1 CCS(=O)(=O)[*:1] Cc1ccc(o1)-c1nc(cs1)CC(=O)N(C)CC[*:1]
CCS(=O)(=O)CCN(C)C(=O)Cc1csc(-c2ccc(C)o2)n1 CCS(=O)(=O)CC[*:1] Cc1ccc(o1)-c1nc(cs1)CC(=O)N(C)[*:1]
CCS(=O)(=O)CCN(C)C(=O)Cc1csc(-c2ccc(C)o2)n1 Cc1ccc(o1)[*:1] CCS(=O)(=O)CCN(C)C(=O)Cc1csc(n1)[*:1]
CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])SCc1ncc(o1)-c1ccc(cc1)OC
CCn1c(SCc2ncc(-c3ccc(OC)cc3)o2)nnc1-c1ccncc1 COc1ccc(cc1)[*:1] CCn1c(nnc1-c1ccncc1)SCc1ncc(o1)[*:1]
CCOC(=O)c1sc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)nc1-c1ccccc1 CCOC(=O)[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2ccccc2)c(s1)[*:1]
CCOC(=O)c1sc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)nc1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1sc(nc1[*:1])NC(=O)[C@H]1CCCN1S(C)(=O)=O
Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCn2cnc3ccccc32)cc1C c1ccc2c(c1)ncn2C[*:1] Cc1ccc(cc1C)-n1ncc2c1CCC[C@H]2NC(=O)C[*:1]
Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCn2cnc3ccccc32)cc1C c1ccc2c(c1)ncn2[*:1] Cc1ccc(cc1C)-n1ncc2c1CCC[C@H]2NC(=O)CC[*:1]
Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCn2cnc3ccccc32)cc1C Cc1ccc(cc1C)[*:1] O=C(CCn1cnc2ccccc21)N[C@@H]1CCCc2c1cnn2[*:1]
Cc1nc(CNC(=O)[C@H](C)S(=O)(=O)C(C)C)c(C)s1 CC(C)S(=O)(=O)[*:1] Cc1nc(CNC(=O)[C@H](C)[*:1])c(C)s1
Cc1nc(CNC(=O)[C@H](C)S(=O)(=O)C(C)C)c(C)s1 CC(C)[*:1] Cc1nc(CNC(=O)[C@H](C)S(=O)(=O)[*:1])c(C)s1
COCCn1cc(N[C@H](C)C[C@@H]2CCCC[NH2+]2)cn1 COCC[*:1] C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1cnn(c1)[*:1]
COCCn1cc(N[C@H](C)C[C@@H]2CCCC[NH2+]2)cn1 COC[*:1] C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1cnn(c1)C[*:1]
Cc1nnc(N2CCO[C@H](C(N)=S)C2)s1 NC(=S)[*:1] Cc1nnc(s1)N1CCO[C@H](C1)[*:1]
CC(C)n1ncc2c(C(=O)N3C[C@H]4CCC[C@H]4C3)cc(C3CC3)nc21 C1CC1[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)N1C[C@H]2CCC[C@H]2C1
CC(C)n1ncc2c(C(=O)N3C[C@H]4CCC[C@H]4C3)cc(C3CC3)nc21 CC(C)[*:1] O=C(c1cc(nc2c1cnn2[*:1])C1CC1)N1C[C@H]2CCC[C@H]2C1
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc(Cl)cc1
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O)[*:1]
CCC[C@@H](C)NC(=O)Cc1cccc2ccccc12 CCC[*:1] C[C@@H](NC(=O)Cc1cccc2ccccc12)[*:1]
CCC[C@@H](C)NC(=O)Cc1cccc2ccccc12 CCC[C@@H](C)[*:1] O=C(Cc1cccc2ccccc12)N[*:1]
CCC[C@H]([NH2+]C)c1ccn(Cc2cc(C)nn2CC)c1 CCC[*:1] CCn1nc(C)cc1Cn1ccc(c1)[C@@H]([NH2+]C)[*:1]
Nc1ccc(C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)cn1 c1ccc(cc1)[*:1] Nc1ccc(cn1)C(=O)N1CCc2c(C1)nc([nH]c2=O)[*:1]
Nc1ccc(C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)cn1 Nc1ccc(cn1)[*:1] O=C(N1CCc2c(C1)nc([nH]c2=O)-c1ccccc1)[*:1]
COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)C[NH+](Cc2ccccc2)CC4)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)c1sc2nc3CC[NH+](Cc3cc2c1N)[*:1]
COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)C[NH+](Cc2ccccc2)CC4)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)c1sc2nc3CC[NH+](Cc3cc2c1N)C[*:1]
COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)C[NH+](Cc2ccccc2)CC4)c1 COc1cccc(c1)[*:1] Nc1c(sc2nc3CC[NH+](Cc4ccccc4)Cc3cc12)C(=O)N[*:1]
Cc1csc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 Cc1csc(n1)[*:1] O=S(=O)(NC[*:1])c1ccc2OCCCOc2c1
Cc1csc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 Cc1csc(C[*:1])n1 O=S(=O)(N[*:1])c1ccc2OCCCOc2c1
Cc1ccc(C(=O)NCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)NCC(=O)N[C@@H](C)[*:1]
Cc1ccc(C(=O)NCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)CNC(=O)[*:1])c1cccc(Cl)c1
CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3OC)cc2CN([C@@H](C)CC)C1=O CC[C@H](C)[*:1] CC[C@@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)c1ccccc1OC
CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3OC)cc2CN([C@@H](C)CC)C1=O COc1ccccc1[*:1] CC[C@@H]1Oc2ccc(cc2CN(C1=O)[C@@H](C)CC)NC(=O)[*:1]
C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1nccc(=O)[nH]1 NC(=O)[*:1] C[NH2+][C@]1(CCC[C@@H]1CCSc1nccc(=O)[nH]1)[*:1]
O=C(Nc1nc2ccccc2s1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1Cl)[*:1] O=C(Nc1nc2ccccc2s1)[C@H]1CC(=O)N(C1)[*:1]
Cc1[nH+]ccn1C[C@H](C)C(N)=S NC(=S)[*:1] Cc1[nH+]ccn1C[C@H](C)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)N[C@@H]2CCCC[C@@H]2CC)CC1 CCCC[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(CC1)C(=O)N(C)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)N[C@@H]2CCCC[C@@H]2CC)CC1 CCC[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(CC1)C(=O)N(C)C[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)N[C@@H]2CCCC[C@@H]2CC)CC1 CCCCN(C)C(=O)[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(CC1)[*:1]
CC(C)Oc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 CC(C)[*:1] O=C(c1ccc(cc1)O[*:1])N1CCc2cc(ccc21)S(=O)(=O)N1CCOCC1
CC(C)Oc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 CC(C)Oc1ccc(cc1)[*:1] O=C(N1CCc2cc(ccc21)S(=O)(=O)N1CCOCC1)[*:1]
CC(C)Oc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 O=S(=O)(N1CCOCC1)[*:1] CC(C)Oc1ccc(cc1)C(=O)N1CCc2cc(ccc21)[*:1]
CC(C)Oc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 CC(C)O[*:1] O=C(c1ccc(cc1)[*:1])N1CCc2cc(ccc21)S(=O)(=O)N1CCOCC1
C[C@H](NC(=O)C[S@@](=O)Cc1nc(-c2ccccc2)no1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(C[S@@](=O)Cc1nc(no1)-c1ccccc1)N[*:1]
C[C@H](NC(=O)C[S@@](=O)Cc1nc(-c2ccccc2)no1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C[S@@](=O)Cc1nc(no1)-c1ccccc1)[*:1]
C[C@H](NC(=O)C[S@@](=O)Cc1nc(-c2ccccc2)no1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C[S@@](=O)Cc1nc(no1)[*:1])c1ccccc1
C[C@H]1CN(Cc2ccccc2NC(=O)C2C[C@@H](C)O[C@H](C)C2)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccccc1C[*:1]
Cc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1Br NC(=O)[*:1] Cc1ccc(cc1Br)C(=O)Nc1cccc(c1)[*:1]
Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)NCc1ccco1 c1coc(c1)C[*:1] Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)N[*:1]
Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)NCc1ccco1 c1coc(c1)[*:1] Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)NC[*:1]
Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)NCc1ccco1 Cc1noc(C)c1[*:1] C[C@H](OC(=O)[*:1])C(=O)NCc1ccco1
COc1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc(OC)c1 Cc1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)c1cc(nc2onc(C)c12)[*:1]
COc1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc(OC)c1 COc1cc(cc(c1)[*:1])OC Cc1ccc(cc1)-c1cc(C(=O)N[*:1])c2c(C)noc2n1
Cc1ccccc1-n1c(S[C@@H]2C[C@H](C)OC2=O)nc2ccccc2c1=O Cc1ccccc1[*:1] C[C@H]1C[C@@H](Sc2nc3ccccc3c(=O)n2[*:1])C(=O)O1
CC(C)N(CC(N)=O)C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(CC(N)=O)C(=O)c1sc(nc1[*:1])-c1ccccc1
CC(C)N(CC(N)=O)C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 CC(C)[*:1] NC(=O)CN(C(=O)c1sc(nc1-c1ccccc1)-c1ccccc1)[*:1]
CC(C)N(CC(N)=O)C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 NC(=O)[*:1] CC(C)N(C[*:1])C(=O)c1sc(nc1-c1ccccc1)-c1ccccc1
CC(C)N(CC(N)=O)C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(CC(N)=O)C(=O)c1sc(nc1-c1ccccc1)[*:1]
CC(C)N(CC(N)=O)C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 NC(=O)C[*:1] CC(C)N(C(=O)c1sc(nc1-c1ccccc1)-c1ccccc1)[*:1]
NC(=O)NCCCCC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O NC(=O)NCCC[*:1] O=C(C[*:1])N[C@@H]1CCN(C1=O)c1c(F)cccc1F
NC(=O)NCCCCC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] NC(=O)NCCCCC(=O)N[C@@H]1CCN(C1=O)[*:1]
NC(=O)NCCCCC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O NC(=O)NCC[*:1] O=C(CC[*:1])N[C@@H]1CCN(C1=O)c1c(F)cccc1F
NC(=O)NCCCCC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O NC(=O)N[*:1] O=C(CCCC[*:1])N[C@@H]1CCN(C1=O)c1c(F)cccc1F
NC(=O)NCCCCC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O NC(=O)NC[*:1] O=C(CCC[*:1])N[C@@H]1CCN(C1=O)c1c(F)cccc1F
NC(=O)NCCCCC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O NC(=O)NCCCC[*:1] O=C1[C@@H](CCN1c1c(F)cccc1F)NC(=O)[*:1]
CC(C)[C@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC(C)[C@H](CO)N(Cc1ccccc1)S(=O)(=O)[*:1]
CC(C)[C@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cnn(C)c1 c1ccc(cc1)C[*:1] CC(C)[C@H](CO)N(S(=O)(=O)c1cnn(C)c1)[*:1]
CC(C)[C@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cnn(C)c1 CC(C)[*:1] Cn1cc(cn1)S(=O)(=O)N(Cc1ccccc1)[C@@H](CO)[*:1]
CC(C)[C@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cnn(C)c1 c1ccc(cc1)[*:1] CC(C)[C@H](CO)N(C[*:1])S(=O)(=O)c1cnn(C)c1
CC[C@@H](C)[NH+]1CCN(c2ccc(C(C)=O)c(O)c2)CC1 CC(=O)[*:1] CC[C@@H](C)[NH+]1CCN(CC1)c1ccc(c(O)c1)[*:1]
CC[C@H](C)C(=O)NCC(=O)NCc1ccc(C(=O)N(C)C)cc1 CC[C@H](C)C(=O)N[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)C[*:1]
CC[C@H](C)C(=O)NCC(=O)NCc1ccc(C(=O)N(C)C)cc1 CC[C@H](C)[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)CNC(=O)[*:1]
CC[C@H](C)C(=O)NCC(=O)NCc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CC[C@H](C)C(=O)NCC(=O)NCc1ccc(cc1)[*:1]
O=C(NCc1ccc(F)c(Cl)c1)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(F)c(Cl)c1)N[C@H](CO)[*:1]
CN(C)C(=O)CCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CN(C)C(=O)[*:1] O=C(NCC[*:1])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
CN(C)C(=O)CCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CN(C)C(=O)CC[*:1] O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
CN(C)C(=O)CCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CN(C)C(=O)C[*:1] O=C(NC[*:1])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
CN(C)C(=O)CCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CN(C)C(=O)CCNC(=O)N[C@H]1CCO[C@H]1[*:1]
CC[C@H](C)N(CC)C(=O)C[C@@H]1CCCC[NH2+]1 CC[C@H](C)[*:1] CCN(C(=O)C[C@@H]1CCCC[NH2+]1)[*:1]
N#CCSC1[NH+]=c2ccccc2=[NH+]1 N#CCS[*:1] c1ccc2=[NH+]C([NH+]=c2c1)[*:1]
N#CCSC1[NH+]=c2ccccc2=[NH+]1 N#CC[*:1] c1ccc2=[NH+]C([NH+]=c2c1)S[*:1]
CCCc1cc(C(=O)NCCCN2CCCCCC2=O)sc1C CCC[*:1] Cc1sc(cc1[*:1])C(=O)NCCCN1CCCCCC1=O
O=c1[nH]c(/C(Cl)=C/c2ccsc2)nc2scc(-c3cccs3)c12 c1cc(cs1)[*:1] O=c1[nH]c(nc2scc(-c3cccs3)c12)C(Cl)=C[*:1]
O=c1[nH]c(/C(Cl)=C/c2ccsc2)nc2scc(-c3cccs3)c12 c1csc(c1)[*:1] O=c1[nH]c(nc2scc(c12)[*:1])/C(Cl)=C/c1ccsc1
CCOC(=O)c1cc2c(=O)n3ccccc3nc2[n+](CC(C)C)c1NC(=O)C(C)(C)C CC(C)(C)C(=O)N[*:1] CCOC(=O)c1cc2c(=O)n3ccccc3nc2[n+](CC(C)C)c1[*:1]
CCOC(=O)c1cc2c(=O)n3ccccc3nc2[n+](CC(C)C)c1NC(=O)C(C)(C)C CC(C)[*:1] CCOC(=O)c1cc2c(=O)n3ccccc3nc2[n+](C[*:1])c1NC(=O)C(C)(C)C
CCOC(=O)c1cc2c(=O)n3ccccc3nc2[n+](CC(C)C)c1NC(=O)C(C)(C)C CCOC(=O)[*:1] CC(C)C[n+]1c(NC(=O)C(C)(C)C)c(cc2c(=O)n3ccccc3nc21)[*:1]
CCOC(=O)c1cc2c(=O)n3ccccc3nc2[n+](CC(C)C)c1NC(=O)C(C)(C)C CC(C)C[*:1] CCOC(=O)c1cc2c(=O)n3ccccc3nc2[n+](c1NC(=O)C(C)(C)C)[*:1]
CCOC(=O)c1cc2c(=O)n3ccccc3nc2[n+](CC(C)C)c1NC(=O)C(C)(C)C CC(C)(C)[*:1] CCOC(=O)c1cc2c(=O)n3ccccc3nc2[n+](CC(C)C)c1NC(=O)[*:1]
Cc1cn2c(CN3CCO[C@H](c4ccc(F)c(F)c4)C3)c(C)nc2s1 Fc1ccc(cc1F)[*:1] Cc1cn2c(CN3CCO[C@H](C3)[*:1])c(C)nc2s1
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-n2cccc2)cc1 CC(=O)[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccc(cc2)[*:1])n1-n1cccc1
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-n2cccc2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N[*:1])n1-n1cccc1
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-n2cccc2)cc1 Cc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1-n1cccc1)[*:1]
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCC2(C)COC2)c1 CC(C)(C)[*:1] CC1(COC1)COC(=O)c1cc(ccc1Cl)NC(=O)C[*:1]
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCC2(C)COC2)c1 CC(C)(C)CC(=O)N[*:1] CC1(COC1)COC(=O)c1cc(ccc1Cl)[*:1]
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCC2(C)COC2)c1 CC(C)(C)C[*:1] CC1(COC1)COC(=O)c1cc(ccc1Cl)NC(=O)[*:1]
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCC2(C)COC2)c1 CC1(COC1)C[*:1] CC(C)(C)CC(=O)Nc1ccc(Cl)c(c1)C(=O)O[*:1]
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCC2(C)COC2)c1 CC1(COC1)[*:1] CC(C)(C)CC(=O)Nc1ccc(Cl)c(c1)C(=O)OC[*:1]
O=C(Cc1ccccc1)NCc1cc(=O)n2nc(-c3ccccc3)sc2n1 c1ccc(cc1)C[*:1] O=C(NCc1cc(=O)n2nc(sc2n1)-c1ccccc1)[*:1]
O=C(Cc1ccccc1)NCc1cc(=O)n2nc(-c3ccccc3)sc2n1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1)NCc1cc(=O)n2nc(sc2n1)[*:1]
O=C(Cc1ccccc1)NCc1cc(=O)n2nc(-c3ccccc3)sc2n1 c1ccc(cc1)[*:1] O=C(C[*:1])NCc1cc(=O)n2nc(sc2n1)-c1ccccc1
C[NH2+][C@H](CCO)c1ccccc1 OCC[*:1] C[NH2+][C@H](c1ccccc1)[*:1]
N#C[C@H](NC(=O)c1ccnnc1)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] N#C[C@H](NC(=O)c1ccnnc1)c1ccc(cc1)[*:1]
N#C[C@H](NC(=O)c1ccnnc1)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] N#C[C@H](NC(=O)c1ccnnc1)c1ccc(cc1)OC[*:1]
N#C[C@H](NC(=O)c1ccnnc1)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] N#C[C@H](NC(=O)c1ccnnc1)c1ccc(cc1)O[*:1]
N#C[C@H](NC(=O)c1ccnnc1)c1ccc(OCc2ccccc2)cc1 c1cc(cnn1)[*:1] N#C[C@H](NC(=O)[*:1])c1ccc(cc1)OCc1ccccc1
CC(C)(C)CN1C[C@H]([NH2+]Cc2ccc(Oc3ncccn3)cc2)CC1=O c1cnc(nc1)O[*:1] CC(C)(C)CN1C[C@@H](CC1=O)[NH2+]Cc1ccc(cc1)[*:1]
CC(C)(C)CN1C[C@H]([NH2+]Cc2ccc(Oc3ncccn3)cc2)CC1=O c1cnc(nc1)[*:1] CC(C)(C)CN1C[C@@H](CC1=O)[NH2+]Cc1ccc(cc1)O[*:1]
CC(C)(C)CN1C[C@H]([NH2+]Cc2ccc(Oc3ncccn3)cc2)CC1=O CC(C)(C)C[*:1] O=C1C[C@H](CN1[*:1])[NH2+]Cc1ccc(cc1)Oc1ncccn1
CC(C)(C)CN1C[C@H]([NH2+]Cc2ccc(Oc3ncccn3)cc2)CC1=O CC(C)(C)[*:1] O=C1C[C@H](CN1C[*:1])[NH2+]Cc1ccc(cc1)Oc1ncccn1
O=C(N[C@H]1CCOc2ccc(Br)cc21)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N[C@H]1CCOc2ccc(Br)cc21)C1(CC1)[*:1]
C[C@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)[C@@H]1C C1CCC(C1)[*:1] C[C@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3c(=O)n2[*:1])[C@@H]1C
C[C@H]1CCC[C@H](C)N1C(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H]1CCC[C@H](C)N1C(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1[*:1]
N#CCOc1cccc(CC(=O)Oc2ccc(C#N)cc2F)c1 N#CC[*:1] N#Cc1ccc(OC(=O)Cc2cccc(c2)O[*:1])c(F)c1
N#CCOc1cccc(CC(=O)Oc2ccc(C#N)cc2F)c1 N#CCO[*:1] N#Cc1ccc(OC(=O)Cc2cccc(c2)[*:1])c(F)c1
CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)Nc1ccc2OCC(C)(C)C(=O)N(C)c2c1
CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)Nc1ccc2OCC(C)(C)C(=O)N(C)c2c1
Cc1cccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)c1C Cc1cccc(c1C)[*:1] O=C(CC[NH+]1CCN(CC1)CC(=O)N[*:1])Nc1cc(Cl)ccc1Cl
Cc1cccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)c1C Clc1ccc(Cl)c(c1)[*:1] Cc1cccc(NC(=O)CN2CC[NH+](CCC(=O)N[*:1])CC2)c1C
COc1cc(Br)c(S(=O)(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1OC Clc1ccc(c(Cl)c1)[*:1] COc1cc(Br)c(cc1OC)S(=O)(=O)N(C)C[*:1]
Cc1sc(NC(=O)c2ccncc2F)c(C(N)=O)c1-c1ccccc1 NC(=O)[*:1] Cc1sc(NC(=O)c2ccncc2F)c(c1-c1ccccc1)[*:1]
Cc1sc(NC(=O)c2ccncc2F)c(C(N)=O)c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(NC(=O)c2ccncc2F)c(C(N)=O)c1[*:1]
Cc1sc(NC(=O)c2ccncc2F)c(C(N)=O)c1-c1ccccc1 Fc1cnccc1[*:1] Cc1sc(NC(=O)[*:1])c(C(N)=O)c1-c1ccccc1
CSC[C@@H](C)NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 CSC[*:1] C[C@@H](NC(=O)NCCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
CSC[C@@H](C)NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CSC[C@@H](C)NC(=O)NCCc1nc(no1)[*:1]
C#Cc1cccc(NC(=O)CN(C)C(=O)c2c(Cl)cccc2Cl)c1 Clc1cccc(Cl)c1[*:1] C#Cc1cccc(c1)NC(=O)CN(C)C(=O)[*:1]
C#Cc1cccc(NC(=O)CN(C)C(=O)c2c(Cl)cccc2Cl)c1 C#Cc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1c(Cl)cccc1Cl
CN(C[C@@H]1CCCO1)C(=O)c1ccc(Sc2ccccc2Cl)nn1 Clc1ccccc1[*:1] CN(C[C@@H]1CCCO1)C(=O)c1ccc(nn1)S[*:1]
CN(C[C@@H]1CCCO1)C(=O)c1ccc(Sc2ccccc2Cl)nn1 C1CO[C@@H](C1)C[*:1] CN(C(=O)c1ccc(nn1)Sc1ccccc1Cl)[*:1]
CN(C[C@@H]1CCCO1)C(=O)c1ccc(Sc2ccccc2Cl)nn1 Clc1ccccc1S[*:1] CN(C[C@@H]1CCCO1)C(=O)c1ccc(nn1)[*:1]
CN(C[C@@H]1CCCO1)C(=O)c1ccc(Sc2ccccc2Cl)nn1 C1CO[C@@H](C1)[*:1] CN(C[*:1])C(=O)c1ccc(nn1)Sc1ccccc1Cl
Cc1nc(C)n(-c2ccc(C(=O)N[C@@H](C)[C@H]3CCCO3)cc2)n1 Cc1nc(C)n(n1)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])[C@H]1CCCO1
Cc1nc(C)n(-c2ccc(C(=O)N[C@@H](C)[C@H]3CCCO3)cc2)n1 C1CO[C@H](C1)[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)N[C@@H](C)[*:1]
Cc1cc(OCC(=O)Nc2cc(F)ccc2C)nc(N2CCC[C@@H](C)C2)n1 Cc1ccc(F)cc1[*:1] Cc1cc(nc(n1)N1CCC[C@@H](C)C1)OCC(=O)N[*:1]
COc1ccc(CN2CCO[C@@](C)(c3cnn(C)c3)C2)c(OC)c1OC Cn1cc(cn1)[*:1] COc1ccc(CN2CCO[C@@](C)(C2)[*:1])c(OC)c1OC
Cc1ccc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c(C)c1 C1CC1[*:1] Cc1ccc(SCC(=O)c2c(N)n(c(=O)[nH]c2=O)[*:1])c(C)c1
Cc1ccc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] Nc1c(C(=O)CS[*:1])c(=O)[nH]c(=O)n1C1CC1
O=c1[nH]c(N2C[C@@H]3CC=CC[C@H]3C2)nc2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]c(nc2c1cnn2[*:1])N1C[C@@H]2CC=CC[C@H]2C1
COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccc4c(c3)OCO4)o2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)-c1nc(c(NC[*:1])o1)S(=O)(=O)c1ccccc1
COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccc4c(c3)OCO4)o2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)c1nc(oc1NCc1ccc2OCOc2c1)[*:1]
COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccc4c(c3)OCO4)o2)cc1 c1cc2OCOc2cc1CN[*:1] COc1ccc(cc1)-c1nc(c(o1)[*:1])S(=O)(=O)c1ccccc1
COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccc4c(c3)OCO4)o2)cc1 c1cc2OCOc2cc1C[*:1] COc1ccc(cc1)-c1nc(c(N[*:1])o1)S(=O)(=O)c1ccccc1
COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccc4c(c3)OCO4)o2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(c(NCc2ccc3OCOc3c2)o1)S(=O)(=O)[*:1]
COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccc4c(c3)OCO4)o2)cc1 O=S(=O)(c1ccccc1)[*:1] COc1ccc(cc1)-c1nc(c(NCc2ccc3OCOc3c2)o1)[*:1]
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)n1 Clc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1cccc(Cl)n1
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)n1 Clc1cccc(n1)[*:1] O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N[*:1]
CCC[NH+]1CCC(CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 CC(C)[*:1] CCC[NH+]1CCC(CC1)CNC(=O)C(=O)Nc1nn(cc1C#N)[*:1]
CCC[NH+]1CCC(CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 CCC[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)NCC1CC[NH+](CC1)[*:1]
O=C(C[C@H](O)c1ccccc1)N[C@H](c1nccs1)C1CC1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N[C@H](c1nccs1)C1CC1
O=C(C[C@H](O)c1ccccc1)N[C@H](c1nccs1)C1CC1 c1csc(n1)[*:1] O=C(C[C@H](O)c1ccccc1)N[C@H](C1CC1)[*:1]
O=C(C[C@H](O)c1ccccc1)N[C@H](c1nccs1)C1CC1 C1CC1[*:1] O=C(C[C@H](O)c1ccccc1)N[C@H](c1nccs1)[*:1]
CCN1CC[NH+](C[C@@H](C)CNC(=O)N(C)C2CCC2)CC1 C1CC(C1)[*:1] CCN1CC[NH+](CC1)C[C@@H](C)CNC(=O)N(C)[*:1]
CCOC(=O)c1sc2nc(C(C)C)c3c(c2c1N)CC(C)(C)OC3 CC(C)[*:1] CCOC(=O)c1sc2nc(c3COC(C)(C)Cc3c2c1N)[*:1]
CCOC(=O)c1sc2nc(C(C)C)c3c(c2c1N)CC(C)(C)OC3 CCOC(=O)[*:1] CC(C)c1nc2sc(c(N)c2c2CC(C)(C)OCc12)[*:1]
CCCCOC(=O)[C@H](C)NC(=O)c1c(C)nn2cccnc12 CCC[*:1] Cc1nn2cccnc2c1C(=O)N[C@@H](C)C(=O)OC[*:1]
CCCCOC(=O)[C@H](C)NC(=O)c1c(C)nn2cccnc12 CCCC[*:1] Cc1nn2cccnc2c1C(=O)N[C@@H](C)C(=O)O[*:1]
CCCCOC(=O)[C@H](C)NC(=O)c1c(C)nn2cccnc12 CCCCOC(=O)[*:1] Cc1nn2cccnc2c1C(=O)N[C@@H](C)[*:1]
CCCCn1c(N2CC[NH+](Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C Cc1cccc(c1)C[*:1] CCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH+](CC1)[*:1]
CCCCn1c(N2CC[NH+](Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C CCCC[*:1] Cc1cccc(c1)C[NH+]1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
CCCCn1c(N2CC[NH+](Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C Cc1cccc(c1)[*:1] CCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH+](CC1)C[*:1]
CCCCn1c(N2CC[NH+](Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C CCC[*:1] Cc1cccc(c1)C[NH+]1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
O=C(Nc1ccc(F)cc1)c1cccc(Oc2cnccn2)c1 Fc1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)Oc1cnccn1
O=C(Nc1ccc(F)cc1)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)[*:1] O=C(Nc1ccc(F)cc1)c1cccc(c1)O[*:1]
O=C(Nc1ccc(F)cc1)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)O[*:1] O=C(Nc1ccc(F)cc1)c1cccc(c1)[*:1]
Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 Cc1ccc(cc1)C[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)c1ccncc1
Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CCC(=O)N[C@@H](c1ccncc1)[*:1]
Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)CCC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 Cc1ccc(cc1)[*:1] O=C(CC[*:1])N[C@@H](c1ccccc1)c1ccncc1
Cc1ccc(CNC(=O)c2ccc3c(c2)CN(S(=O)(=O)c2cccc(C)c2)CCO3)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)N1CCOc2ccc(cc2C1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)c2ccc3c(c2)CN(S(=O)(=O)c2cccc(C)c2)CCO3)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)CNC(=O)c1ccc2OCCN(Cc2c1)S(=O)(=O)[*:1]
Cc1ccc(CNC(=O)c2ccc3c(c2)CN(S(=O)(=O)c2cccc(C)c2)CCO3)cc1 Cc1ccc(cc1)C[*:1] Cc1cccc(c1)S(=O)(=O)N1CCOc2ccc(cc2C1)C(=O)N[*:1]
CCS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(N(C)CC)c2)C1 CCN(C)[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(N(C)CC)c2)C1 CCS[*:1] CCN(C)c1cccc(c1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C1)[*:1]
COc1ccc(OC)c(/C=N/C(=O)CC#N)c1 N#CC[*:1] COc1ccc(OC)c(/C=N/C(=O)[*:1])c1
COc1ccc(Cl)cc1NC(=O)NC1CCC1 C1CC(C1)[*:1] COc1ccc(Cl)cc1NC(=O)N[*:1]
COc1ccc(OC)c2[nH]c(C(=O)N3CCN(c4ncnc5[nH]cnc45)CC3)cc12 c1nc(c2nc[nH]c2n1)[*:1] COc1ccc(OC)c2[nH]c(cc12)C(=O)N1CCN(CC1)[*:1]
CC(C)[NH+](Cc1cccc(F)c1)Cc1ccc(C(C)(C)O)o1 Fc1cccc(c1)[*:1] CC(C)[NH+](Cc1ccc(o1)C(C)(C)O)C[*:1]
CC(C)[NH+](Cc1cccc(F)c1)Cc1ccc(C(C)(C)O)o1 CC(C)[*:1] CC(C)(O)c1ccc(C[NH+](Cc2cccc(F)c2)[*:1])o1
CC(C)[NH+](Cc1cccc(F)c1)Cc1ccc(C(C)(C)O)o1 CC(C)(O)[*:1] CC(C)[NH+](Cc1cccc(F)c1)Cc1ccc(o1)[*:1]
C[NH+](C)CCNC(=O)C[C@H]1C[NH2+]CCO1 C[NH+](C)C[*:1] O=C(C[C@H]1C[NH2+]CCO1)NC[*:1]
C[NH+](C)CCNC(=O)C[C@H]1C[NH2+]CCO1 C[NH+](C)CC[*:1] O=C(C[C@H]1C[NH2+]CCO1)N[*:1]
C[C@H]1CCC[C@@](CNC(=O)c2cccc(SCC#N)c2)([NH+](C)C)C1 N#CC[*:1] C[C@H]1CCC[C@](CNC(=O)c2cccc(c2)S[*:1])(C1)[NH+](C)C
C[C@H]1CCC[C@@](CNC(=O)c2cccc(SCC#N)c2)([NH+](C)C)C1 N#CCS[*:1] C[C@H]1CCC[C@](CNC(=O)c2cccc(c2)[*:1])(C1)[NH+](C)C
CC(C)[NH2+]CC(C)(C)COC1CCOCC1 CC(C)[*:1] CC(C)(C[NH2+][*:1])COC1CCOCC1
CC(C)c1nc([C@H](C)[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cs1 CC(C)[*:1] C[C@H]([NH2+][C@H]1CCCc2[nH]c(=O)ccc21)c1csc(n1)[*:1]
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@@H]1c1ccc(cc1)[*:1]
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@@H]1c1ccc(C(C)C)cc1 CC(C)c1ccc(cc1)[*:1] CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1[*:1]
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@@H]1c1ccc(C(C)C)cc1 c1coc(c1)[*:1] CCN1C(=O)C([O-])=C(C(=O)C=C[*:1])[C@@H]1c1ccc(cc1)C(C)C
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@@H]1c1ccc(C(C)C)cc1 C(=C[*:1])c1ccco1 CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(cc1)C(C)C
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@@H]1c1ccc(C(C)C)cc1 O=C(/C=C/c1ccco1)[*:1] CCN1C(=O)C([O-])=C([C@@H]1c1ccc(cc1)C(C)C)[*:1]
COCCCNC(=O)N(C)Cc1ccc(OC)c(O)c1 COCCC[*:1] COc1ccc(cc1O)CN(C)C(=O)N[*:1]
COCCCNC(=O)N(C)Cc1ccc(OC)c(O)c1 COCC[*:1] COc1ccc(cc1O)CN(C)C(=O)NC[*:1]
COCCCNC(=O)N(C)Cc1ccc(OC)c(O)c1 COC[*:1] COc1ccc(cc1O)CN(C)C(=O)NCC[*:1]
Cc1nc(-c2ccc(CCNC(=O)c3cccc[n+]3[O-])s2)cs1 [O-][n+]1ccccc1[*:1] Cc1nc(cs1)-c1ccc(CCNC(=O)[*:1])s1
Cc1nc(-c2ccc(CCNC(=O)c3cccc[n+]3[O-])s2)cs1 Cc1nc(cs1)[*:1] O=C(NCCc1ccc(s1)[*:1])c1cccc[n+]1[O-]
COc1nn(C)cc1C(=O)N1CCN(CCn2cc[nH+]c2-c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1nn(C)cc1C(=O)N1CCN(CC1)CCn1cc[nH+]c1[*:1]
COc1nn(C)cc1C(=O)N1CCN(CCn2cc[nH+]c2-c2ccccc2)CC1 COc1nn(C)cc1[*:1] O=C(N1CCN(CC1)CCn1cc[nH+]c1-c1ccccc1)[*:1]
COCCN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 COC[*:1] O=C(c1c[nH]c2ccccc12)[C@@H](NC[*:1])c1ccccc1
COCCN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] COCCN[C@H](C(=O)c1c[nH]c2ccccc12)[*:1]
COCCN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 COCCN[*:1] O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[*:1]
COCCN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 COCC[*:1] O=C(c1c[nH]c2ccccc12)[C@@H](N[*:1])c1ccccc1
CCn1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)n1 FC(F)(F)[*:1] CCn1ccc(n1)C(=O)N1CCC[C@@H](CCc2ccccc2[*:1])C1
CCn1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)n1 CCn1ccc(n1)[*:1] O=C(N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1)[*:1]
COCCc1cc(NC(=O)C(C)(C)F)n(C)n1 COC[*:1] Cn1nc(cc1NC(=O)C(C)(C)F)C[*:1]
COCCc1cc(NC(=O)C(C)(C)F)n(C)n1 COCC[*:1] Cn1nc(cc1NC(=O)C(C)(C)F)[*:1]
COCCc1cc(NC(=O)C(C)(C)F)n(C)n1 CC(C)(F)[*:1] COCCc1cc(NC(=O)[*:1])n(C)n1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1nn(c(C)c1S(=O)(=O)Nc1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 Fc1ccc(cc1F)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1ccnc1
O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 c1cn(cn1)[*:1] O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
CCN1C[C@@H](C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)CC1=O c1ccc(cc1)[*:1] CCN1C[C@H](CC1=O)C(=O)N1CCc2nnc(n2CC1)[*:1]
CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 C1CC1[*:1] CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)[*:1]
CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 O=S(=O)(N1CCOCC1)[*:1] CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(c1)[*:1])C1CC1
CN(CCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 Fc1ccc(cc1)C[*:1] CN(C[*:1])C(=O)NCc1ccc([nH+]c1)N1CCCC1
CN(CCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 C1CCN(C1)[*:1] CN(CCc1ccc(F)cc1)C(=O)NCc1ccc([nH+]c1)[*:1]
CN(CCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 Fc1ccc(cc1)[*:1] CN(CC[*:1])C(=O)NCc1ccc([nH+]c1)N1CCCC1
O=C(N[C@H]1CCc2ccccc21)N1CCN(C(=O)c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(N[C@H]1CCc2ccccc21)N1CCN(CC1)C(=O)[*:1]
CCC(C)(C)c1ccc(OCCN2CC[NH2+]CC2)cc1 CCC(C)(C)[*:1] c1cc(ccc1OCCN1CC[NH2+]CC1)[*:1]
C=CCC[NH+]1CCN(Cc2ccon2)CC1 C=CCC[*:1] c1cc(CN2CC[NH+](CC2)[*:1])no1
C=CCC[NH+]1CCN(Cc2ccon2)CC1 c1cc(no1)[*:1] C=CCC[NH+]1CCN(CC1)C[*:1]
C=CCC[NH+]1CCN(Cc2ccon2)CC1 C=CC[*:1] c1cc(CN2CC[NH+](CC2)C[*:1])no1
CC[NH2+][C@@H]([C@@H]1CCCc2cccnc21)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] CC[NH2+][C@@H]([C@@H]1CCCc2cccnc21)[*:1]
N#C[C@@H]1CCCC[C@H]1OC(=O)CCc1cc(Cl)cs1 Clc1csc(c1)[*:1] N#C[C@@H]1CCCC[C@H]1OC(=O)CC[*:1]
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@@H](SCC(=O)Nc4cccc(C)c4)N3N2)cc1 CCc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CS[C@@H]1N=NC(=O)[C@H]2C=C(NN12)[*:1]
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@@H](SCC(=O)Nc4cccc(C)c4)N3N2)cc1 Cc1cccc(c1)NC(=O)[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@@H](SC[*:1])N2N1
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@@H](SCC(=O)Nc4cccc(C)c4)N3N2)cc1 Cc1cccc(c1)[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@@H](SCC(=O)N[*:1])N2N1
COc1c(Cl)cc(/C([O-])=N/S(=O)(=O)CCCF)cc1Cl FCCC[*:1] COc1c(Cl)cc(cc1Cl)/C([O-])=N/S(=O)(=O)[*:1]
COc1c(Cl)cc(/C([O-])=N/S(=O)(=O)CCCF)cc1Cl FCC[*:1] COc1c(Cl)cc(cc1Cl)/C([O-])=N/S(=O)(=O)C[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N2CCOCC2)cc1C Cc1ccc(cc1C)[*:1] O=C1[C@@H](Cc2ccccc2)N=C(N2CCOCC2)N1[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N2CCOCC2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N1C(=O)[C@@H](C[*:1])N=C1N1CCOCC1
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N2CCOCC2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)N1C(=O)[C@@H](N=C1N1CCOCC1)[*:1]
Cc1cc(NC(=O)CSCC(=O)N[C@@H](C)C2CC2)no1 Cc1cc(no1)[*:1] C[C@H](NC(=O)CSCC(=O)N[*:1])C1CC1
Cc1cc(NC(=O)CSCC(=O)N[C@@H](C)C2CC2)no1 C1CC1[*:1] Cc1cc(no1)NC(=O)CSCC(=O)N[C@@H](C)[*:1]
Cc1cc(NC(=O)CSCC(=O)N[C@@H](C)C2CC2)no1 C[C@@H](C1CC1)[*:1] Cc1cc(no1)NC(=O)CSCC(=O)N[*:1]
O=C1CC(=O)Nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2N1 Fc1ccc(cc1)C[*:1] O=C1CC(=O)Nc2cc(ccc2N1)S(=O)(=O)N[*:1]
O=C1CC(=O)Nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2N1 Fc1ccc(cc1)[*:1] O=C1CC(=O)Nc2cc(ccc2N1)S(=O)(=O)NC[*:1]
C[C@H](CC(=O)N1CCCC[C@@H]1CC(N)=O)NC(=O)C1CCCCC1 NC(=O)[*:1] C[C@H](CC(=O)N1CCCC[C@@H]1C[*:1])NC(=O)C1CCCCC1
C[C@H](CC(=O)N1CCCC[C@@H]1CC(N)=O)NC(=O)C1CCCCC1 NC(=O)C[*:1] C[C@H](CC(=O)N1CCCC[C@H]1[*:1])NC(=O)C1CCCCC1
C[C@H](CC(=O)N1CCCC[C@@H]1CC(N)=O)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](CC(=O)N1CCCC[C@@H]1CC(N)=O)NC(=O)[*:1]
O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 c1csc(c1)[*:1] O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@H](C1)c1nc(cc(n1)[*:1])C(F)(F)F
O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 O=c1[nH]cc([nH]1)[*:1] O=C(N1CCC[C@H](C1)c1nc(cc(n1)C(F)(F)F)-c1cccs1)[*:1]
O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 FC(F)(F)[*:1] O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@H](C1)c1nc(cc(n1)[*:1])-c1cccs1
COc1cc([C@@H]([NH3+])Cc2cccs2)ccc1Cl c1csc(c1)[*:1] COc1cc(ccc1Cl)[C@@H]([NH3+])C[*:1]
CCOCCO[C@H]1CCN(Cc2cnc3cnccn23)C1 CCO[*:1] c1cn2c(cnc2cn1)CN1CC[C@@H](C1)OCC[*:1]
CCOCCO[C@H]1CCN(Cc2cnc3cnccn23)C1 CCOCC[*:1] c1cn2c(cnc2cn1)CN1CC[C@@H](C1)O[*:1]
CCOCCO[C@H]1CCN(Cc2cnc3cnccn23)C1 CCOC[*:1] c1cn2c(cnc2cn1)CN1CC[C@@H](C1)OC[*:1]
CCOCCO[C@H]1CCN(Cc2cnc3cnccn23)C1 CCOCCO[*:1] c1cn2c(cnc2cn1)CN1CC[C@@H](C1)[*:1]
CCCO[C@@H]1CCCN(c2ccc(S(N)(=O)=O)c(N)c2)C1 NS(=O)(=O)[*:1] CCCO[C@@H]1CCCN(C1)c1ccc(c(N)c1)[*:1]
CCCO[C@@H]1CCCN(c2ccc(S(N)(=O)=O)c(N)c2)C1 CCC[*:1] Nc1cc(ccc1S(N)(=O)=O)N1CCC[C@H](C1)O[*:1]
CCCO[C@@H]1CCCN(c2ccc(S(N)(=O)=O)c(N)c2)C1 CCCO[*:1] Nc1cc(ccc1S(N)(=O)=O)N1CCC[C@H](C1)[*:1]
C[C@H](OC(=O)C[C@H](C)n1cccc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](CC(=O)O[C@@H](C)[*:1])n1cccc1
C[C@H](OC(=O)C[C@H](C)n1cccc1)[C@H]1CCCO1 c1ccn(c1)[*:1] C[C@H](OC(=O)C[C@H](C)[*:1])[C@H]1CCCO1
COCCCN1C[C@@H](C(=O)Nc2cccc(Br)c2)CC1=O COC[*:1] O=C(Nc1cccc(Br)c1)[C@H]1CC(=O)N(CC[*:1])C1
COCCCN1C[C@@H](C(=O)Nc2cccc(Br)c2)CC1=O COCC[*:1] O=C(Nc1cccc(Br)c1)[C@H]1CC(=O)N(C1)C[*:1]
COCCCN1C[C@@H](C(=O)Nc2cccc(Br)c2)CC1=O COCCC[*:1] O=C(Nc1cccc(Br)c1)[C@H]1CC(=O)N(C1)[*:1]
COCCCN1C[C@@H](C(=O)Nc2cccc(Br)c2)CC1=O Brc1cccc(c1)[*:1] COCCCN1C[C@H](CC1=O)C(=O)N[*:1]
CCc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 O=C1CCCN1[*:1] CCc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
CC(=O)c1cc(C(=O)N(CC(=O)[O-])C(C)(C)C)n(C)c1 CC(C)(C)[*:1] CC(=O)c1cc(C(=O)N(CC(=O)[O-])[*:1])n(C)c1
CC(=O)c1cc(C(=O)N(CC(=O)[O-])C(C)(C)C)n(C)c1 CC(=O)[*:1] Cn1cc(cc1C(=O)N(CC(=O)[O-])C(C)(C)C)[*:1]
CC(=O)c1cc(C(=O)N(CC(=O)[O-])C(C)(C)C)n(C)c1 O=C([O-])C[*:1] CC(=O)c1cc(C(=O)N(C(C)(C)C)[*:1])n(C)c1
CC(=O)c1cc(C(=O)N(CC(=O)[O-])C(C)(C)C)n(C)c1 O=C([O-])[*:1] CC(=O)c1cc(C(=O)N(C[*:1])C(C)(C)C)n(C)c1
Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C(N)=O)c(C)c1 NC(=O)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1cccc(C)c1[*:1]
COC(=O)Cc1ccc(CN2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)s1 CC(C)(C)[*:1] COC(=O)Cc1ccc(CN2CCO[C@H](C2)c2nc(cs2)[*:1])s1
COC(=O)Cc1ccc(CN2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)s1 COC(=O)[*:1] CC(C)(C)c1csc(n1)[C@H]1CN(CCO1)Cc1ccc(C[*:1])s1
COC(=O)Cc1ccc(CN2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)s1 COC(=O)C[*:1] CC(C)(C)c1csc(n1)[C@H]1CN(CCO1)Cc1ccc(s1)[*:1]
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 CC(C)[*:1] O=C([O-])c1cc(ccc1Cl)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 O=C([O-])[*:1] CC(C)C(=O)Nc1ccc(Cl)c(c1)[*:1]
O=C(CSC1CCCC1)Nc1ccccc1I C1CCC(C1)[*:1] O=C(CS[*:1])Nc1ccccc1I
CC[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2C1 O=[N+]([O-])[*:1] CC[C@@H]1CCc2nc(NC(=O)c3ccc(o3)[*:1])sc2C1
CN(C[C@H]1CCCCO1)C(=O)c1ccc(Br)cc1N C1CC[C@@H](OC1)[*:1] CN(C[*:1])C(=O)c1ccc(Br)cc1N
Cc1ccc(CN2C(=O)C3(OCCO3)c3cccc(C)c32)cc1 Cc1ccc(cc1)[*:1] Cc1cccc2c1N(C[*:1])C(=O)C21OCCO1
O=C(Nc1cccc(-c2cn[nH]c2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(Nc1cccc(c1)-c1cn[nH]c1)[C@@H]1C[C@@H]1[*:1]
O=C(Nc1cccc(-c2cn[nH]c2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F c1n[nH]cc1[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1C[C@H]1c1c(F)cccc1F
CCOc1ncnc(Sc2nc(C)cc(C)n2)c1N CCO[*:1] Cc1cc(C)nc(n1)Sc1ncnc(c1N)[*:1]
Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 Cn1nnnc1S[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)N1CCC[C@H]2CCCC[C@H]21
Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 Cn1nnnc1[*:1] O=C(CS[*:1])Nc1ccc(cc1)C(=O)N1CCC[C@H]2CCCC[C@H]21
Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 Cn1nnnc1SC[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCC[C@H]2CCCC[C@H]21
CCC(CC)(C[C@H](O)COC)C(=O)[O-] COC[*:1] CCC(CC)(C[C@H](O)[*:1])C(=O)[O-]
CCC(CC)(C[C@H](O)COC)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(C[C@H](O)COC)[*:1]
COc1ccc(NC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 COc1ccc(cc1)[*:1] Cc1sc2nc(CS[C@@H](C)C(=O)N[*:1])[nH]c(=O)c2c1C
N#Cc1cccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c1 N#Cc1cccc(c1)[*:1] O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(cc1)C(F)(F)F)[*:1]
N#Cc1cccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] N#Cc1cccc(c1)C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(cc1)[*:1]
CC[C@](C)([C@H](O)c1cscc1Br)[NH+]1CCCCC1 Brc1cscc1[*:1] CC[C@](C)([C@H](O)[*:1])[NH+]1CCCCC1
Cc1cccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@H](CNC(=O)Nc1ccc(C#N)cc1)[*:1]
Cc1cccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)N2CCOCC2)c1 N#Cc1ccc(cc1)[*:1] Cc1cccc(c1)[C@H](CNC(=O)N[*:1])N1CCOCC1
Cc1cccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] N#Cc1ccc(cc1)NC(=O)NC[C@H](N1CCOCC1)[*:1]
COc1ccc(CCN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccccc2Br)cc1OC Brc1ccccc1[*:1] COc1ccc(cc1OC)CCN1C(=O)C(O)=C(c2ccccc2)[C@H]1[*:1]
COc1ccc(CCN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccccc2Br)cc1OC COc1ccc(cc1OC)[*:1] O=C1C(O)=C(c2ccccc2)[C@H](c2ccccc2Br)N1CC[*:1]
COc1ccc(CCN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccccc2Br)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CCN1C(=O)C(O)=C([C@@H]1c1ccccc1Br)[*:1]
Cc1ccc(C)c2c(C)c(C(=O)N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)oc12 O=C(N[*:1])C1CC1 Cc1ccc(C)c2c(C)c(oc12)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc(C)c2c(C)c(C(=O)N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)oc12 C1CC1[*:1] Cc1ccc(C)c2c(C)c(oc12)C(=O)N[C@H](C)c1ccc(cc1)NC(=O)[*:1]
C#CCOc1cccc(NC(=O)N(C[C@@H](C)O)C(C)C)c1 C#CCO[*:1] CC(C)N(C[C@@H](C)O)C(=O)Nc1cccc(c1)[*:1]
C#CCOc1cccc(NC(=O)N(C[C@@H](C)O)C(C)C)c1 C#CC[*:1] CC(C)N(C[C@@H](C)O)C(=O)Nc1cccc(c1)O[*:1]
C#CCOc1cccc(NC(=O)N(C[C@@H](C)O)C(C)C)c1 CC(C)[*:1] C#CCOc1cccc(c1)NC(=O)N(C[C@@H](C)O)[*:1]
C#CCOc1cccc(NC(=O)N(C[C@@H](C)O)C(C)C)c1 C[C@@H](O)C[*:1] C#CCOc1cccc(c1)NC(=O)N(C(C)C)[*:1]
C=CCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 C=CCNC(=O)[*:1] O=C(c1cccc(c1)NS(=O)(=O)c1ccc(F)cc1)N1CCC(CC1)[*:1]
C=CCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 C=CC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccc(c1)NS(=O)(=O)c1ccc(F)cc1
C=CCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 Fc1ccc(cc1)[*:1] C=CCNC(=O)C1CCN(CC1)C(=O)c1cccc(c1)NS(=O)(=O)[*:1]
CCOc1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 CC(C)(C)[*:1] CCOc1cccc(c1)CNC(=O)C(=O)Nc1nn(cc1C#N)[*:1]
CCOc1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 CCO[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)NCc1cccc(c1)[*:1]
CCOc1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 CCOc1cccc(c1)[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)NC[*:1]
Cc1ccc2c(c1C)O[C@@H](C(=O)[O-])CC2=O O=C([O-])[*:1] Cc1ccc2C(=O)C[C@H](Oc2c1C)[*:1]
Cc1noc(CNCc2c[nH+]cn2C2CC2)n1 C1CC1[*:1] Cc1noc(CNCc2c[nH+]cn2[*:1])n1
Cc1nn([C@@H](C)c2nn3c(-c4ccncc4)nnc3s2)cc1Br Cc1nn(cc1Br)[*:1] C[C@@H](c1nn2c(nnc2s1)-c1ccncc1)[*:1]
Cc1nn([C@@H](C)c2nn3c(-c4ccncc4)nnc3s2)cc1Br c1cc(ccn1)[*:1] Cc1nn(cc1Br)[C@@H](C)c1nn2c(nnc2s1)[*:1]
CC1=C(C#N)c2nc3ccccc3n2/C(=N/c2cc(C)cc(C)c2)C1 Cc1cc(C)cc(c1)[*:1] CC1CC(=N[*:1])n2c(nc3ccccc32)C=1C#N
CC(=O)NC(C)(C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](c2ccccc2C)C1 CC(=O)N[*:1] Cc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)C(C)(C)[*:1]
CC(=O)NC(C)(C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](c2ccccc2C)C1 O=C([O-])[*:1] CC(=O)NC(C)(C)C(=O)N1C[C@@H]([C@@H](C1)c1ccccc1C)[*:1]
CC(=O)NC(C)(C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](c2ccccc2C)C1 CC(=O)NC(C)(C)[*:1] Cc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)[*:1]
CC(=O)NC(C)(C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](c2ccccc2C)C1 Cc1ccccc1[*:1] CC(=O)NC(C)(C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C1)[*:1]
Cc1nc2sc(C(=O)Nc3ccccc3)c(N)c2c(C)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nc2sc(C(=O)N[*:1])c(N)c2c(C)c1[N+](=O)[O-]
Cc1nc2sc(C(=O)Nc3ccccc3)c(N)c2c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nc2sc(C(=O)Nc3ccccc3)c(N)c2c(C)c1[*:1]
COc1ccccc1-c1noc(CS[C@@H](C)c2nc(C3CC3)no2)n1 COc1ccccc1[*:1] C[C@H](SCc1nc(no1)[*:1])c1nc(no1)C1CC1
COc1ccccc1-c1noc(CS[C@@H](C)c2nc(C3CC3)no2)n1 C1CC1c1noc(n1)[*:1] COc1ccccc1-c1noc(CS[C@@H](C)[*:1])n1
COc1ccccc1-c1noc(CS[C@@H](C)c2nc(C3CC3)no2)n1 C1CC1[*:1] COc1ccccc1-c1noc(CS[C@@H](C)c2nc(no2)[*:1])n1
O=C(Nc1cccnc1)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 FC(F)(F)[*:1] O=C(Nc1cccnc1)C1C[C@H](CNc2ncc(cc2Cl)[*:1])ON=1
O=C(Nc1cccnc1)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 c1cncc(c1)[*:1] O=C(N[*:1])C1C[C@H](CNc2ncc(cc2Cl)C(F)(F)F)ON=1
CCS(=O)(=O)N1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)C(c1ccccc1)[*:1]
O=C(Nc1ccccc1Cl)N1CC[C@@H](C[NH+]2CCCCC2)C1 Clc1ccccc1[*:1] O=C(N[*:1])N1CC[C@H](C1)C[NH+]1CCCCC1
C[C@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 CC(C)(c1ccccc1)[*:1] C[C@H](NC(=O)NNC(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 O=[N+]([O-])[*:1] C[C@H](NC(=O)NNC(=O)c1cccc(c1)[*:1])C(C)(C)c1ccccc1
C[C@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NNC(=O)c1cccc(c1)[N+](=O)[O-])C(C)(C)[*:1]
C[C@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H](NC(=O)NNC(=O)[*:1])C(C)(C)c1ccccc1
Cc1ccsc1/C=N/NC(=O)c1ccc2[nH]cnc2c1 Cc1ccsc1[*:1] O=C(NN=C[*:1])c1ccc2[nH]cnc2c1
COc1cccc(-c2csc(/C(C#N)=C/Nc3cc4c(cc3C(C)=O)OCO4)n2)c1 CC(=O)[*:1] COc1cccc(c1)-c1csc(n1)/C(C#N)=C/Nc1cc2OCOc2cc1[*:1]
COc1cccc(-c2csc(/C(C#N)=C/Nc3cc4c(cc3C(C)=O)OCO4)n2)c1 COc1cccc(c1)[*:1] CC(=O)c1cc2OCOc2cc1N/C=C(\C#N)c1nc(cs1)[*:1]
CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C(C)C)n[nH]3)ncc2C1 CC(C)c1cc([nH]n1)[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@H]1CCCCN1C(=O)[*:1]
CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C(C)C)n[nH]3)ncc2C1 CC(C)[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@H]1CCCCN1C(=O)c1cc(n[nH]1)[*:1]
C[C@H](C(=O)CC(C)(C)C)[C@@H](C)C(=O)[O-] CC(C)(C)[*:1] C[C@H](C(=O)C[*:1])[C@@H](C)C(=O)[O-]
C[C@H](C(=O)CC(C)(C)C)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H](C(=O)CC(C)(C)C)[C@@H](C)[*:1]
CCCCc1cc(NC(=O)c2ccc3c(c2)OCCO3)[nH]n1 CCCC[*:1] O=C(Nc1cc(n[nH]1)[*:1])c1ccc2OCCOc2c1
CCCCc1cc(NC(=O)c2ccc3c(c2)OCCO3)[nH]n1 CCC[*:1] O=C(Nc1cc(C[*:1])n[nH]1)c1ccc2OCCOc2c1
CCOC(=O)c1sc2ncnc(NCc3nnc4n3CCC4)c2c1C CCOC(=O)[*:1] Cc1c(sc2ncnc(NCc3nnc4CCCn43)c12)[*:1]
CCOC(=O)c1sc2ncnc(NCc3nnc4n3CCC4)c2c1C C1Cc2nnc(n2C1)[*:1] CCOC(=O)c1sc2ncnc(NC[*:1])c2c1C
Cc1[nH+]c([C@H]2CCCN2C(=O)c2ccnn2C)nc2c1CCCN2CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH+]c(nc2c1CCCN2C[*:1])[C@H]1CCCN1C(=O)c1ccnn1C
Cc1[nH+]c([C@H]2CCCN2C(=O)c2ccnn2C)nc2c1CCCN2CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1[nH+]c(nc2c1CCCN2[*:1])[C@H]1CCCN1C(=O)c1ccnn1C
Cc1[nH+]c([C@H]2CCCN2C(=O)c2ccnn2C)nc2c1CCCN2CCc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH+]c(nc2c1CCCN2CC[*:1])[C@H]1CCCN1C(=O)c1ccnn1C
Cc1[nH+]c([C@H]2CCCN2C(=O)c2ccnn2C)nc2c1CCCN2CCc1ccccc1 Cn1nccc1[*:1] Cc1[nH+]c(nc2c1CCCN2CCc1ccccc1)[C@H]1CCCN1C(=O)[*:1]
O=C(Cc1cn2ccccc2n1)NCc1ccccc1Cn1ccnc1 c1cn(cn1)[*:1] O=C(Cc1cn2ccccc2n1)NCc1ccccc1C[*:1]
O=C(Cc1cn2ccccc2n1)NCc1ccccc1Cn1ccnc1 c1cn(cn1)C[*:1] O=C(Cc1cn2ccccc2n1)NCc1ccccc1[*:1]
Cc1cccc(NC(=S)N(Cc2cccnc2)C2CC2)c1Cl c1cncc(c1)C[*:1] Cc1cccc(NC(=S)N(C2CC2)[*:1])c1Cl
Cc1cccc(NC(=S)N(Cc2cccnc2)C2CC2)c1Cl c1cncc(c1)[*:1] Cc1cccc(NC(=S)N(C[*:1])C2CC2)c1Cl
Cc1cccc(NC(=S)N(Cc2cccnc2)C2CC2)c1Cl C1CC1[*:1] Cc1cccc(NC(=S)N(Cc2cccnc2)[*:1])c1Cl
O=C(C[C@@H]1SC(Cc2nc3ccccc3[nH]2)=NC1=O)Nc1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] O=C(C[C@@H]1SC(Cc2nc3ccccc3[nH]2)=NC1=O)N[*:1]
O=C(C[C@@H]1SC(Cc2nc3ccccc3[nH]2)=NC1=O)Nc1ccc2ccccc2c1 c1ccc2[nH]c(C[*:1])nc2c1 O=C(C[C@@H]1SC(=NC1=O)[*:1])Nc1ccc2ccccc2c1
O=C(C[C@@H]1SC(Cc2nc3ccccc3[nH]2)=NC1=O)Nc1ccc2ccccc2c1 c1ccc2[nH]c(nc2c1)[*:1] O=C(C[C@@H]1SC(C[*:1])=NC1=O)Nc1ccc2ccccc2c1
COc1ccncc1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccncc1NC(=O)[C@H]1COCC(=O)N1[*:1]
COc1ccncc1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 COc1ccncc1[*:1] O=C(N[*:1])[C@H]1COCC(=O)N1Cc1ccccc1
COc1ccncc1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccncc1NC(=O)[C@H]1COCC(=O)N1C[*:1]
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2cccnc2)n1C[*:1])N1CCOCC1
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1ccc(cc1)Cn1c(nnc1-c1cccnc1)SC[*:1]
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCOCC1 c1cncc(c1)[*:1] O=C(CSc1nnc(n1Cc1ccccc1)[*:1])N1CCOCC1
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCOCC1 c1ccc(cc1)C[*:1] O=C(CSc1nnc(-c2cccnc2)n1[*:1])N1CCOCC1
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 c1ccc(cc1)Cn1c(nnc1-c1cccnc1)S[*:1]
O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C1CCOCC1 C1CC(CCO1)[*:1] O=C(Nc1cccc(c1)-c1nc2ccccc2s1)[*:1]
CC(=O)c1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)C1CCN(CC1)C(=O)C1CC1
CC(=O)c1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1C C1CC1[*:1] CC(=O)c1ccc(cc1C)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)CCSc1nnc(N/N=C/c2ccccc2F)[nH]1 CC(C)CC[*:1] Fc1ccccc1/C=N/Nc1nnc([nH]1)S[*:1]
CC(C)CCSc1nnc(N/N=C/c2ccccc2F)[nH]1 CC(C)CCS[*:1] Fc1ccccc1/C=N/Nc1nnc([nH]1)[*:1]
CC(C)CCSc1nnc(N/N=C/c2ccccc2F)[nH]1 CC(C)C[*:1] Fc1ccccc1/C=N/Nc1nnc([nH]1)SC[*:1]
CC(C)CCSc1nnc(N/N=C/c2ccccc2F)[nH]1 Fc1ccccc1[*:1] CC(C)CCSc1nnc(NN=C[*:1])[nH]1
CC(C)CCSc1nnc(N/N=C/c2ccccc2F)[nH]1 CC(C)[*:1] Fc1ccccc1/C=N/Nc1nnc([nH]1)SCC[*:1]
Cc1cc(-n2ccnc2-c2cccnc2)ccc1NC(=O)c1ccco1 c1cncc(c1)[*:1] Cc1cc(ccc1NC(=O)c1ccco1)-n1ccnc1[*:1]
Cc1cc(-n2ccnc2-c2cccnc2)ccc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1cc(ccc1[*:1])-n1ccnc1-c1cccnc1
Cc1cc(-n2ccnc2-c2cccnc2)ccc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1cc(ccc1NC(=O)[*:1])-n1ccnc1-c1cccnc1
Cc1n[nH]c(-c2ccc(NC(=O)C(=O)NCCCn3cc[nH+]c3)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccc(cc1)[*:1]
CCCC[C@@H](CC)C(=O)Nc1nc2c(s1)CCCC2 CCC[*:1] CC[C@H](C[*:1])C(=O)Nc1nc2CCCCc2s1
CCCC[C@@H](CC)C(=O)Nc1nc2c(s1)CCCC2 CCCC[*:1] CC[C@@H](C(=O)Nc1nc2CCCCc2s1)[*:1]
O=C(c1coc(COc2cccc(F)c2)n1)N1CCSCC1 Fc1cccc(c1)[*:1] O=C(c1coc(CO[*:1])n1)N1CCSCC1
Cc1ocnc1CN1CCc2ccccc2[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1ocnc1CN1CCc2ccccc2[C@H]1[*:1]
Cc1ocnc1CN1CCc2ccccc2[C@@H]1Cc1ccccc1 Cc1ocnc1C[*:1] c1ccc(cc1)C[C@H]1c2ccccc2CCN1[*:1]
Cc1ocnc1CN1CCc2ccccc2[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ocnc1CN1CCc2ccccc2[C@@H]1C[*:1]
Cc1ocnc1CN1CCc2ccccc2[C@@H]1Cc1ccccc1 Cc1ocnc1[*:1] c1ccc(cc1)C[C@H]1c2ccccc2CCN1C[*:1]
O=C(NCCC1CC1)c1c[nH]c2cccc(F)c12 C1CC1[*:1] O=C(NCC[*:1])c1c[nH]c2cccc(F)c12
O=C(NCCC1CC1)c1c[nH]c2cccc(F)c12 C1CC1CC[*:1] O=C(N[*:1])c1c[nH]c2cccc(F)c12
O=C(NCCC1CC1)c1c[nH]c2cccc(F)c12 C1CC1C[*:1] O=C(NC[*:1])c1c[nH]c2cccc(F)c12
COc1ccc(CN2CC[NH+](Cn3nc(C4CC4)n(C)c3=S)CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN1CC[NH+](CC1)Cn1nc(n(C)c1=S)[*:1]
COc1ccc(CN2CC[NH+](Cn3nc(C4CC4)n(C)c3=S)CC2)cc1 COc1ccc(cc1)[*:1] Cn1c(nn(C[NH+]2CCN(CC2)C[*:1])c1=S)C1CC1
N#C/C(C(=O)NC1CCCCC1)=C(\[O-])c1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] N#C/C(C(=O)NC1CCCCC1)=C(\[O-])c1cccc(c1)[*:1]
N#C/C(C(=O)NC1CCCCC1)=C(\[O-])c1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] N#C/C(C(=O)NC1CCCCC1)=C(\[O-])c1cccc(c1)OC[*:1]
N#C/C(C(=O)NC1CCCCC1)=C(\[O-])c1cccc(OC[C@@H]2CCCO2)c1 C1CCC(CC1)[*:1] N#C/C(C(=O)N[*:1])=C(\[O-])c1cccc(c1)OC[C@@H]1CCCO1
N#C/C(C(=O)NC1CCCCC1)=C(\[O-])c1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] N#C/C(C(=O)NC1CCCCC1)=C(\[O-])c1cccc(c1)O[*:1]
N#C/C(C(=O)NC1CCCCC1)=C(\[O-])c1cccc(OC[C@@H]2CCCO2)c1 O=C(NC1CCCCC1)[*:1] N#CC(=C([O-])c1cccc(c1)OC[C@@H]1CCCO1)[*:1]
COc1nn(C)cc1C(=O)NCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1nn(C)cc1C(=O)NCC(=O)Nc1ccc(F)c(c1)[*:1]
COc1nn(C)cc1C(=O)NCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 COc1nn(C)cc1[*:1] O=C(CNC(=O)[*:1])Nc1ccc(F)c(c1)[N+](=O)[O-]
CSCC[NH+](C)Cc1cccc(-c2ccncc2)c1 CSC[*:1] C[NH+](Cc1cccc(c1)-c1ccncc1)C[*:1]
CSCC[NH+](C)Cc1cccc(-c2ccncc2)c1 c1cc(ccn1)[*:1] CSCC[NH+](C)Cc1cccc(c1)[*:1]
COc1cccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)c1OC Cc1cc(C[*:1])on1 COc1cccc(C(=O)N2CCN(CC2)[*:1])c1OC
COc1cccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)c1OC Cc1cc(on1)[*:1] COc1cccc(C(=O)N2CCN(CC2)C[*:1])c1OC
COC(=O)Cc1csc(NC(=O)COc2cccc(F)c2)n1 COC(=O)C[*:1] O=C(COc1cccc(F)c1)Nc1nc(cs1)[*:1]
COC(=O)Cc1csc(NC(=O)COc2cccc(F)c2)n1 COC(=O)[*:1] O=C(COc1cccc(F)c1)Nc1nc(cs1)C[*:1]
COC(=O)Cc1csc(NC(=O)COc2cccc(F)c2)n1 Fc1cccc(c1)[*:1] COC(=O)Cc1csc(n1)NC(=O)CO[*:1]
CS(=O)(=O)N1CCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC[C@H](C1)NC(=O)C1(CC1)[*:1]
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NN=C[*:1])c1ccc(cc1)NC(=O)c1ccccc1Cl
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 Clc1ccccc1[*:1] COc1ccc(/C=N/NC(=O)c2ccc(cc2)NC(=O)[*:1])cc1
CCCc1nc(CSC2=Nc3ccccc3CS2)cs1 CCC[*:1] c1ccc2N=C(SCc3csc(n3)[*:1])SCc2c1
Cc1nnc2ccc(Nc3cccc(N4CCCCC4)c3)nn12 C1CCN(CC1)[*:1] Cc1nnc2ccc(nn12)Nc1cccc(c1)[*:1]
CN1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O FC(F)(F)[*:1] CN1C(=O)C[C@H](C1=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
NC(=O)[C@@]1([NH3+])CCC[C@@H](n2cncn2)C1 NC(=O)[*:1] [NH3+][C@]1(CCC[C@H](C1)n1cncn1)[*:1]
NC(=O)[C@@]1([NH3+])CCC[C@@H](n2cncn2)C1 c1ncn(n1)[*:1] NC(=O)[C@@]1([NH3+])CCC[C@@H](C1)[*:1]
O=C([O-])c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 O=C([O-])[*:1] O=C1NN(C(=O)[C@@H]2CC=CC[C@H]12)c1cccc(c1)[*:1]
COc1ccc(-c2nc(Cn3cnc4ccsc4c3=O)no2)cc1 COc1ccc(cc1)[*:1] O=c1c2sccc2ncn1Cc1noc(n1)[*:1]
C[C@@H]1CN(CCC/[NH+]=C(/N)N[C@@H]2CCOc3ccccc32)C[C@@H](C)O1 C[C@@H]1CN(C[C@@H](C)O1)[*:1] N/C(N[C@@H]1CCOc2ccccc21)=[NH+]/CCC[*:1]
Cn1c(CNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)nc2ccccc21 Fc1ccc(cc1)[*:1] Cn1c(CNC(=O)c2ccccc2C(=O)[*:1])nc2ccccc21
Cn1c(CNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)nc2ccccc21 O=C(c1ccc(F)cc1)[*:1] Cn1c(CNC(=O)c2ccccc2[*:1])nc2ccccc21
CCn1nc(C)c2nc(CCCl)n(C[C@@H]3COCCO3)c21 C1CO[C@@H](CO1)C[*:1] CCn1nc(C)c2nc(CCCl)n(c21)[*:1]
CCn1nc(C)c2nc(CCCl)n(C[C@@H]3COCCO3)c21 ClCC[*:1] CCn1nc(C)c2nc(n(C[C@@H]3COCCO3)c21)[*:1]
CCn1nc(C)c2nc(CCCl)n(C[C@@H]3COCCO3)c21 C1CO[C@@H](CO1)[*:1] CCn1nc(C)c2nc(CCCl)n(C[*:1])c21
COc1ccc(OC)c(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 c1cc(ccn1)[*:1] COc1ccc(OC)c(c1)CNC(=O)c1cc(nc2ccccc12)[*:1]
COc1ccc(OC)c(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 COc1ccc(OC)c(c1)[*:1] O=C(NC[*:1])c1cc(nc2ccccc12)-c1ccncc1
CC(C)C(=O)Nc1ccccc1-c1ccccc1 CC(C)C(=O)N[*:1] c1ccc(cc1)-c1ccccc1[*:1]
CC(C)C(=O)Nc1ccccc1-c1ccccc1 CC(C)[*:1] O=C(Nc1ccccc1-c1ccccc1)[*:1]
CC(C)C(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccccc1[*:1]
O=C(Cc1ccccc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 c1cn(cn1)CCC[*:1] O=C(Cc1ccccc1)N(c1nc2c(F)cccc2s1)[*:1]
O=C(Cc1ccccc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 c1ccc(cc1)[*:1] O=C(C[*:1])N(CCCn1ccnc1)c1nc2c(F)cccc2s1
O=C(Cc1ccccc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 c1cn(cn1)CC[*:1] O=C(Cc1ccccc1)N(C[*:1])c1nc2c(F)cccc2s1
O=C(Cc1ccccc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 c1cn(cn1)C[*:1] O=C(Cc1ccccc1)N(CC[*:1])c1nc2c(F)cccc2s1
O=C(Cc1ccccc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 c1ccc(cc1)C[*:1] O=C(N(CCCn1ccnc1)c1nc2c(F)cccc2s1)[*:1]
O=C(Cc1ccccc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 c1cn(cn1)[*:1] O=C(Cc1ccccc1)N(CCC[*:1])c1nc2c(F)cccc2s1
COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3cc(C)on3)no2)cc1 Cc1cc(no1)[*:1] COc1ccc(cc1)-c1cc(no1)C(=O)N1CCC[C@@H]1[*:1]
COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3cc(C)on3)no2)cc1 COc1ccc(cc1)[*:1] Cc1cc(no1)[C@@H]1CCCN1C(=O)c1cc(on1)[*:1]
CCOC(=O)CNC(=O)c1cccnc1Sc1ccc(Br)cc1 CCOC(=O)[*:1] O=C(NC[*:1])c1cccnc1Sc1ccc(Br)cc1
CCOC(=O)CNC(=O)c1cccnc1Sc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCOC(=O)CNC(=O)c1cccnc1S[*:1]
CCOC(=O)CNC(=O)c1cccnc1Sc1ccc(Br)cc1 CCOC(=O)C[*:1] O=C(N[*:1])c1cccnc1Sc1ccc(Br)cc1
O=C(NNC(=O)c1cc(F)cc(F)c1)c1cccc(O)c1 Oc1cccc(c1)[*:1] O=C(NNC(=O)[*:1])c1cc(F)cc(F)c1
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1nccn2ccnc12 Clc1ccc(cc1)C[*:1] O=C(Nc1cnn(c1)[*:1])c1nccn2ccnc12
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1nccn2ccnc12 Clc1ccc(cc1)[*:1] O=C(Nc1cnn(c1)C[*:1])c1nccn2ccnc12
CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3ccc4ccccc4n3)ccc21 c1ccc2nc(ccc2c1)[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)C(=O)COC(=O)[*:1]
Cc1ccc(S(=O)(=O)/C(C#N)=C\C=C\c2ccccc2)cc1 Cc1ccc(cc1)[*:1] N#C/C(=C/C=C/c1ccccc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)/C(C#N)=C\C=C\c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)/C(C#N)=C\C=C[*:1]
COc1cc(C(C)=O)ccc1OCC(=O)Nc1c(Br)cc(C)cc1Br CC(=O)[*:1] COc1cc(ccc1OCC(=O)Nc1c(Br)cc(C)cc1Br)[*:1]
COc1ccc(-c2csc(NC(=O)c3cnc(SC)n3-c3ccc(F)cc3)n2)cc1Cl Fc1ccc(cc1)[*:1] COc1ccc(cc1Cl)-c1csc(n1)NC(=O)c1cnc(SC)n1[*:1]
COc1ccc(-c2csc(NC(=O)c3cnc(SC)n3-c3ccc(F)cc3)n2)cc1Cl COc1ccc(cc1Cl)[*:1] CSc1ncc(C(=O)Nc2nc(cs2)[*:1])n1-c1ccc(F)cc1
C=CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)CC)CCO1 c1cncc(c1)[*:1] C=CCNC(=O)[C@@]1(Cc2ccc(cc2)[*:1])CN(CCO1)C(=O)CC
C=CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)CC)CCO1 C=CC[*:1] CCC(=O)N1CCO[C@](Cc2ccc(cc2)-c2cccnc2)(C1)C(=O)N[*:1]
C=CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)CC)CCO1 C=CCNC(=O)[*:1] CCC(=O)N1CCO[C@@](Cc2ccc(cc2)-c2cccnc2)(C1)[*:1]
Cc1nc(-c2ccccc2)ccc1[C@H](C)O C[C@H](O)[*:1] Cc1nc(ccc1[*:1])-c1ccccc1
O=C([O-])CCc1cc2n(n1)CCCN(c1ccc(C(=O)N3CCCC3)cn1)C2 O=C(N1CCCC1)[*:1] O=C([O-])CCc1cc2CN(CCCn2n1)c1ccc(cn1)[*:1]
O=C([O-])CCc1cc2n(n1)CCCN(c1ccc(C(=O)N3CCCC3)cn1)C2 O=C([O-])CC[*:1] O=C(c1ccc(nc1)N1CCCn2nc(cc2C1)[*:1])N1CCCC1
O=C([O-])CCc1cc2n(n1)CCCN(c1ccc(C(=O)N3CCCC3)cn1)C2 O=C([O-])[*:1] O=C(c1ccc(nc1)N1CCCn2nc(cc2C1)CC[*:1])N1CCCC1
O=C([O-])CCc1cc2n(n1)CCCN(c1ccc(C(=O)N3CCCC3)cn1)C2 O=C([O-])C[*:1] O=C(c1ccc(nc1)N1CCCn2nc(cc2C1)C[*:1])N1CCCC1
Cc1cc(C#CC(C)(C)[NH3+])c(F)cc1F CC(C)([NH3+])[*:1] Cc1cc(C#C[*:1])c(F)cc1F
O=C(OCc1nc(-c2cccs2)no1)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(OCc1nc(no1)[*:1])C1CCN(CC1)C(=O)c1cccs1
O=C(OCc1nc(-c2cccs2)no1)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(OCc1nc(no1)-c1cccs1)C1CCN(CC1)C(=O)[*:1]
COc1ccc(OC)c(NC(=O)CC[NH3+])c1 [NH3+]CC[*:1] COc1ccc(OC)c(c1)NC(=O)[*:1]
O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(c(F)c1)-n1ccnc1)[C@H](S[*:1])c1ccccc1
O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)S[*:1] O=C(NCc1ccc(c(F)c1)-n1ccnc1)[C@H](c1ccccc1)[*:1]
O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(c(F)c1)-n1ccnc1)[C@H](Sc1ccccc1)[*:1]
O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H](Sc1ccccc1)c1ccccc1 c1cn(cn1)[*:1] O=C(NCc1ccc(c(F)c1)[*:1])[C@H](Sc1ccccc1)c1ccccc1
CC(=O)NCCCN(C)c1ccc(S(N)(=O)=O)cc1C#N CC(=O)NCCC[*:1] CN(c1ccc(cc1C#N)S(N)(=O)=O)[*:1]
CC(=O)NCCCN(C)c1ccc(S(N)(=O)=O)cc1C#N CC(=O)N[*:1] CN(CCC[*:1])c1ccc(cc1C#N)S(N)(=O)=O
CC(=O)NCCCN(C)c1ccc(S(N)(=O)=O)cc1C#N CC(=O)NCC[*:1] CN(C[*:1])c1ccc(cc1C#N)S(N)(=O)=O
CC(=O)NCCCN(C)c1ccc(S(N)(=O)=O)cc1C#N CC(=O)NC[*:1] CN(CC[*:1])c1ccc(cc1C#N)S(N)(=O)=O
CC(=O)NCCCN(C)c1ccc(S(N)(=O)=O)cc1C#N NS(=O)(=O)[*:1] CC(=O)NCCCN(C)c1ccc(cc1C#N)[*:1]
CCC[C@@]1(c2ccccc2)O[C@@]1(C(=O)OC)C(C)C CC(C)[*:1] CCC[C@]1(O[C@]1(C(=O)OC)[*:1])c1ccccc1
CCC[C@@]1(c2ccccc2)O[C@@]1(C(=O)OC)C(C)C CCC[*:1] COC(=O)[C@]1(O[C@@]1(c1ccccc1)[*:1])C(C)C
CCC[C@@]1(c2ccccc2)O[C@@]1(C(=O)OC)C(C)C c1ccc(cc1)[*:1] CCC[C@]1(O[C@@]1(C(=O)OC)C(C)C)[*:1]
CCC[C@@]1(c2ccccc2)O[C@@]1(C(=O)OC)C(C)C COC(=O)[*:1] CCC[C@]1(O[C@]1(C(C)C)[*:1])c1ccccc1
Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)CCCCC1 CC(C)(C)[*:1] Cc1cccc(C)c1NC(=O)C1(CCCCC1)N(C)C(=O)[C@@H]1CCCN1C(=O)[*:1]
Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)CCCCC1 Cc1cccc(C)c1[*:1] CN(C(=O)[C@@H]1CCCN1C(=O)C(C)(C)C)C1(CCCCC1)C(=O)N[*:1]
Cc1cccn2cc(C(N)=O)nc12 NC(=O)[*:1] Cc1cccn2cc(nc12)[*:1]
CC[C@@H](C)n1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 O=[N+]([O-])c1cccc(c1)C[*:1] CC[C@@H](C)n1cc(/C=C2/SC(=O)N(C2=O)[*:1])c2ccccc21
CC[C@@H](C)n1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 O=[N+]([O-])c1cccc(c1)[*:1] CC[C@@H](C)n1cc(/C=C2/SC(=O)N(C[*:1])C2=O)c2ccccc21
CC[C@@H](C)n1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 O=[N+]([O-])[*:1] CC[C@@H](C)n1cc(/C=C2/SC(=O)N(Cc3cccc(c3)[*:1])C2=O)c2ccccc21
CCn1nc(C)c2c(C(=O)N[C@H](C)c3ccccc3)cc(C)nc21 c1ccc(cc1)[*:1] CCn1nc(C)c2c(cc(C)nc21)C(=O)N[C@H](C)[*:1]
CCn1nc(C)c2c(C(=O)N[C@H](C)c3ccccc3)cc(C)nc21 C[C@H](c1ccccc1)[*:1] CCn1nc(C)c2c(cc(C)nc21)C(=O)N[*:1]
CC(C)[C@H](NCc1nc(C(F)(F)F)cs1)c1cccnc1 FC(F)(F)[*:1] CC(C)[C@H](NCc1nc(cs1)[*:1])c1cccnc1
CC(C)[C@H](NCc1nc(C(F)(F)F)cs1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H](NCc1nc(cs1)C(F)(F)F)[*:1]
CC(C)[C@H](NCc1nc(C(F)(F)F)cs1)c1cccnc1 CC(C)[*:1] FC(F)(F)c1csc(CN[C@H](c2cccnc2)[*:1])n1
Cc1cc(C(=O)N2CCN(CC(C)(C)C[NH+](C)Cc3ccccc3)CC2)on1 c1ccc(cc1)[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)CC(C)(C)C[NH+](C)C[*:1]
Cc1cc(C(=O)N2CCN(CC(C)(C)C[NH+](C)Cc3ccccc3)CC2)on1 c1ccc(cc1)C[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)CC(C)(C)C[NH+](C)[*:1]
Cc1cc(C(=O)N2CCN(CC(C)(C)C[NH+](C)Cc3ccccc3)CC2)on1 Cc1cc(on1)[*:1] C[NH+](Cc1ccccc1)CC(C)(C)CN1CCN(CC1)C(=O)[*:1]
CCCn1nnnc1CN1CCC[NH+](Cc2ccccc2)CC1 CCC[*:1] c1ccc(cc1)C[NH+]1CCCN(CC1)Cc1nnnn1[*:1]
CCCn1nnnc1CN1CCC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCCn1nnnc1CN1CCC[NH+](CC1)[*:1]
CCCn1nnnc1CN1CCC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCCn1nnnc1CN1CCC[NH+](CC1)C[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)NCC1(c2ccccc2F)CC1 Fc1ccccc1[*:1] CNC(=O)[C@@H](CC(C)C)NC(=O)NCC1(CC1)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)NCC1(c2ccccc2F)CC1 CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NC(=O)NCC1(CC1)c1ccccc1F
CNC(=O)[C@@H](CC(C)C)NC(=O)NCC1(c2ccccc2F)CC1 CC(C)C[*:1] CNC(=O)[C@@H](NC(=O)NCC1(CC1)c1ccccc1F)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)NCC1(c2ccccc2F)CC1 CNC(=O)[*:1] CC(C)C[C@@H](NC(=O)NCC1(CC1)c1ccccc1F)[*:1]
CCc1c[nH]nc1NC(=O)c1nn(CC(C)C)c(=O)c2ccccc12 CC(C)C[*:1] CCc1c[nH]nc1NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
CCc1c[nH]nc1NC(=O)c1nn(CC(C)C)c(=O)c2ccccc12 CC(C)[*:1] CCc1c[nH]nc1NC(=O)c1nn(C[*:1])c(=O)c2ccccc12
Cc1cccc(C2=N/C(=C/c3ccc(I)o3)C(=O)O2)c1 Ic1ccc(o1)[*:1] Cc1cccc(c1)C1=NC(=C[*:1])C(=O)O1
CCN(CC(C)(C)O)C(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)[C@@H](C)Oc1cccc(c1)C(C)=O
CCN(CC(C)(C)O)C(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 CC(=O)[*:1] CCN(CC(C)(C)O)C(=O)[C@@H](C)Oc1cccc(c1)[*:1]
CCN(CC(C)(C)O)C(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 CC(C)(O)C[*:1] CCN(C(=O)[C@@H](C)Oc1cccc(c1)C(C)=O)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)CC2([NH3+])CCC2)c1 CCNC(=O)[*:1] Cc1ccc(cc1NC(=O)CC1([NH3+])CCC1)[*:1]
COCCN(c1nc(Cl)ncc1C)[C@H](C)COC COC[*:1] COC[C@@H](C)N(C[*:1])c1nc(Cl)ncc1C
COCCN(c1nc(Cl)ncc1C)[C@H](C)COC COC[*:1] COCCN(c1nc(Cl)ncc1C)[C@H](C)[*:1]
COCCN(c1nc(Cl)ncc1C)[C@H](C)COC COC[C@@H](C)[*:1] COCCN(c1nc(Cl)ncc1C)[*:1]
COCCN(c1nc(Cl)ncc1C)[C@H](C)COC COCC[*:1] COC[C@@H](C)N(c1nc(Cl)ncc1C)[*:1]
Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2cccnc2)o1 Cc1ccc(F)cc1[*:1] O=C(CSc1nnc(o1)-c1cccnc1)N[*:1]
Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2cccnc2)o1 c1cncc(c1)[*:1] Cc1ccc(F)cc1NC(=O)CSc1nnc(o1)[*:1]
O=S1(=O)CC[C@H](NC(=S)N/N=C\c2c(F)cccc2Cl)C1 O=S1(=O)CC[C@H](C1)[*:1] Fc1cccc(Cl)c1/C=N\NC(=S)N[*:1]
COCC[C@@H](C)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 COCC[C@@H](C)[*:1] O=C(NCc1nc(no1)-c1cccc(Cl)c1)[*:1]
COCC[C@@H](C)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 COC[*:1] C[C@H](C[*:1])C(=O)NCc1nc(no1)-c1cccc(Cl)c1
COCC[C@@H](C)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] COCC[C@@H](C)C(=O)NCc1nc(no1)[*:1]
COCC[C@@H](C)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 COCC[*:1] C[C@@H](C(=O)NCc1nc(no1)-c1cccc(Cl)c1)[*:1]
Cc1cc(C)cc(NC(=O)C(=O)NCc2ncc(C)s2)c1 Cc1cnc(s1)[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)NC[*:1]
Cc1cc(C)cc(NC(=O)C(=O)NCc2ncc(C)s2)c1 Cc1cnc(C[*:1])s1 Cc1cc(C)cc(c1)NC(=O)C(=O)N[*:1]
O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccccc1F c1ccc(cc1)C[*:1] O=C1C[C@H](CN1c1ccccc1F)c1nc2ccccc2n1C[*:1]
O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccccc1F Fc1ccccc1[*:1] O=C1C[C@H](CN1[*:1])c1nc2ccccc2n1CCc1ccccc1
O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccccc1F c1ccc(cc1)[*:1] O=C1C[C@H](CN1c1ccccc1F)c1nc2ccccc2n1CC[*:1]
O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccccc1F c1ccc(cc1)CC[*:1] O=C1C[C@H](CN1c1ccccc1F)c1nc2ccccc2n1[*:1]
O=C(Nc1cccc(N2CCOC2=O)c1)c1ccccc1[C@H]1CC[NH2+]C1 O=C1OCCN1[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1[C@H]1CC[NH2+]C1
COc1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)N4CCN(C)CC4)cn3)C2)cn1 CN1CCN(CC1)C(=O)[*:1] COc1ccc(cn1)C(=O)N1CCC[C@H](C1)c1ccc(cn1)[*:1]
COc1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)N4CCN(C)CC4)cn3)C2)cn1 COc1ccc(cn1)[*:1] CN1CCN(CC1)C(=O)c1ccc(nc1)[C@@H]1CCCN(C1)C(=O)[*:1]
COCc1ccccc1NCc1ncc(C(C)C)o1 CC(C)[*:1] COCc1ccccc1NCc1ncc(o1)[*:1]
COCc1ccccc1NCc1ncc(C(C)C)o1 COC[*:1] CC(C)c1cnc(CNc2ccccc2[*:1])o1
N#Cc1ccc(CCC(=O)NNc2c(F)c(F)c(F)c(F)c2F)cc1 N#Cc1ccc(cc1)[*:1] O=C(CC[*:1])NNc1c(F)c(F)c(F)c(F)c1F
CCOC(=O)Cc1ccccc1NC(=O)c1cccc(Br)n1 CCOC(=O)C[*:1] O=C(Nc1ccccc1[*:1])c1cccc(Br)n1
CCOC(=O)Cc1ccccc1NC(=O)c1cccc(Br)n1 CCOC(=O)[*:1] O=C(Nc1ccccc1C[*:1])c1cccc(Br)n1
CCOC(=O)Cc1ccccc1NC(=O)c1cccc(Br)n1 Brc1cccc(n1)[*:1] CCOC(=O)Cc1ccccc1NC(=O)[*:1]
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(F)cc1)[C@H]1C=C[C@@H]2C12CC2 Fc1ccc(cc1)[*:1] O=C1[C@@H]2[C@@H](C(=O)N1N=C[*:1])[C@H]1C=C[C@@H]2C12CC2
Cc1ccc(C(=O)Nc2ccsc2-c2nnc(C(C)C)o2)c(C)c1 CC(C)c1nnc(o1)[*:1] Cc1ccc(C(=O)Nc2ccsc2[*:1])c(C)c1
Cc1ccc(C(=O)Nc2ccsc2-c2nnc(C(C)C)o2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)c1nnc(o1)-c1sccc1NC(=O)[*:1]
Cc1ccc(C(=O)Nc2ccsc2-c2nnc(C(C)C)o2)c(C)c1 CC(C)[*:1] Cc1ccc(C(=O)Nc2ccsc2-c2nnc(o2)[*:1])c(C)c1
CN1C(=O)NC[C@@H]1c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CN1C(=O)NC[C@@H]1c1ccc(cc1)[*:1]
C[C@@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] C[C@@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 c1cnn(c1)[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1CC(=O)N(C1)CC(F)(F)F
C[C@@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 c1cnn(c1)C[*:1] C[C@@H](NC(=O)[C@H]1CC(=O)N(C1)CC(F)(F)F)[*:1]
C[C@@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H](Cn1cccn1)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
C/C=C/C(=O)Nc1c(Cl)ccc2nsnc12 CC=C[*:1] O=C(Nc1c(Cl)ccc2nsnc12)[*:1]
Cn1c(=O)c(N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)[*:1] Cn1c(=O)c(nc2ccccc21)N1CCC[C@@H](C1)C(=O)NCCC[*:1]
Cn1c(=O)c(N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)CCC[*:1] Cn1c(=O)c(nc2ccccc21)N1CCC[C@@H](C1)C(=O)N[*:1]
Cn1c(=O)c(N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)C[*:1] Cn1c(=O)c(nc2ccccc21)N1CCC[C@@H](C1)C(=O)NCC[*:1]
Cn1c(=O)c(N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)CC[*:1] Cn1c(=O)c(nc2ccccc21)N1CCC[C@@H](C1)C(=O)NC[*:1]
CC[C@@H](C)[NH2+]CC(C)(C)C(=O)OC COC(=O)[*:1] CC[C@@H](C)[NH2+]CC(C)(C)[*:1]
CC[C@@H](C)[NH2+]CC(C)(C)C(=O)OC CC[C@@H](C)[*:1] COC(=O)C(C)(C)C[NH2+][*:1]
Cc1[nH+]ccn1CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1[nH+]ccn1CCCC(=O)N1CSC[C@H]1C(=O)N[*:1]
CC(=O)Nc1cccc(NC(=O)NCCc2nc(C(C)C)no2)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)NC(=O)NCCc1nc(no1)[*:1]
CC(=O)Nc1cccc(NC(=O)NCCc2nc(C(C)C)no2)c1 CC(C)c1noc(n1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)NCC[*:1]
CC(=O)Nc1cccc(NC(=O)NCCc2nc(C(C)C)no2)c1 CC(=O)N[*:1] CC(C)c1noc(CCNC(=O)Nc2cccc(c2)[*:1])n1
COc1ccc(Br)c(/C=N\[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1ccc(Br)c(/C=N\[N-]S(=O)(=O)[*:1])c1
C#CCNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1 C#CC[*:1] COc1cc(NC(=O)c2ccccc2)c(cc1OC)C(=O)N[*:1]
C#CCNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1 C#CCNC(=O)[*:1] COc1cc(NC(=O)c2ccccc2)c(cc1OC)[*:1]
C#CCNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C#CCNC(=O)c1cc(OC)c(cc1NC(=O)[*:1])OC
CCOC(=O)c1c(NC2=NS(=O)(=O)c3ccccc32)sc(C)c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)c1c(NC2=NS(=O)(=O)c3ccccc32)sc(C)c1[*:1]
CCOC(=O)c1c(NC2=NS(=O)(=O)c3ccccc32)sc(C)c1-c1ccc(F)cc1 CCOC(=O)[*:1] Cc1sc(NC2=NS(=O)(=O)c3ccccc32)c(c1-c1ccc(F)cc1)[*:1]
CCC[C@H](Br)Cc1ncc(Br)cc1C CCC[*:1] Cc1cc(Br)cnc1C[C@@H](Br)[*:1]
COc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4ccccc4OC)CC3)oc3ccccc23)c1 COc1cccc(c1)C(=O)N[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1oc2ccccc2c1[*:1]
COc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4ccccc4OC)CC3)oc3ccccc23)c1 COc1ccccc1[*:1] COc1cccc(c1)C(=O)Nc1c(oc2ccccc12)C(=O)N1CCN(CC1)[*:1]
COc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4ccccc4OC)CC3)oc3ccccc23)c1 COc1cccc(c1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1oc2ccccc2c1NC(=O)[*:1]
CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1Br Brc1ccccc1[*:1] CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[*:1]
C=C(C)C[C@H](O)Cc1ccccn1 C=C(C)[*:1] O[C@H](Cc1ccccn1)C[*:1]
C=C(C)C[C@H](O)Cc1ccccn1 C=C(C)C[*:1] O[C@H](Cc1ccccn1)[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCC3(N4CCOCC4)CCCCC3)cc2)C1 C1CN(CCO1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NCC1(CCCCC1)[*:1]
C[NH+]1CCC(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)=NNC(=O)c1cc(nc2ccccc12)[*:1]
Cc1cc(NC(=O)c2ccc(-n3ccnc3)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 c1cn(cn1)[*:1] Cc1cc(NC(=O)c2ccc(cc2)[*:1])n(n1)[C@@H]1CCS(=O)(=O)C1
CC[NH+]1CCN(c2ccccc2NC(=O)CCn2ccccc2=O)CC1 O=c1ccccn1[*:1] CC[NH+]1CCN(CC1)c1ccccc1NC(=O)CC[*:1]
CC[NH+]1CCN(c2ccccc2NC(=O)CCn2ccccc2=O)CC1 O=c1ccccn1C[*:1] CC[NH+]1CCN(CC1)c1ccccc1NC(=O)C[*:1]
CCC[NH+](Cc1cnc2cnccn12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 CCC[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](Cc1cnc2cnccn12)[*:1]
CCC[NH+](Cc1cnc2cnccn12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 Cc1cc(nc(C)[nH+]1)[*:1] CCC[NH+](Cc1cnc2cnccn12)C1CCN(CC1)[*:1]
CCC[NH+](Cc1cnc2cnccn12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 c1cn2c(cnc2cn1)[*:1] CCC[NH+](C[*:1])C1CCN(CC1)c1cc(C)[nH+]c(C)n1
CC(C)Cc1nnc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)s1 CC(C)C[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1)Nc1nnc(s1)[*:1]
CC(C)Cc1nnc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)s1 c1ccc(cc1)[*:1] CC(C)Cc1nnc(NC(=O)Cn2nc(ccc2=O)[*:1])s1
CC(C)Cc1nnc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)s1 CC(C)[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1)Nc1nnc(C[*:1])s1
CCc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CCOCC2)o1 C1CN(CCO1)[*:1] CCc1ccc(o1)[C@H](C)[NH2+][C@@H](C)CC[*:1]
Cc1nc(CCCN2C(=O)N(CC(N)=O)C(C)(C)C2=O)cs1 NC(=O)[*:1] Cc1nc(cs1)CCCN1C(=O)N(C[*:1])C(C)(C)C1=O
Cc1nc(CCCN2C(=O)N(CC(N)=O)C(C)(C)C2=O)cs1 Cc1nc(cs1)C[*:1] CC1(C)C(=O)N(CC[*:1])C(=O)N1CC(N)=O
Cc1nc(CCCN2C(=O)N(CC(N)=O)C(C)(C)C2=O)cs1 Cc1nc(cs1)[*:1] CC1(C)C(=O)N(CCC[*:1])C(=O)N1CC(N)=O
Cc1nc(CCCN2C(=O)N(CC(N)=O)C(C)(C)C2=O)cs1 NC(=O)C[*:1] Cc1nc(cs1)CCCN1C(=O)N(C(C)(C)C1=O)[*:1]
Cc1ccc(NC(=O)c2cscc2C)cc1C#CCO Cc1cscc1[*:1] Cc1ccc(cc1C#CCO)NC(=O)[*:1]
Cc1ccc(NC(=O)c2cscc2C)cc1C#CCO OCC#C[*:1] Cc1cscc1C(=O)Nc1ccc(C)c(c1)[*:1]
O=C(CSc1ccnc(C(=O)[O-])c1)NNc1ccccn1 O=C([O-])[*:1] O=C(CSc1ccnc(c1)[*:1])NNc1ccccn1
O=C(CSc1ccnc(C(=O)[O-])c1)NNc1ccccn1 c1ccc(nc1)[*:1] O=C(CSc1ccnc(c1)C(=O)[O-])NN[*:1]
C[C@H](NC(=O)CC1CCC1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](NC(=O)CC1CCC1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CC1CCC1)c1ccc(S(N)(=O)=O)cc1 C1CC(C1)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@H](NC(=O)CC1CCC1)c1ccc(S(N)(=O)=O)cc1 C1CC(C1)C[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)S(N)(=O)=O
COC[C@@H](C)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 COC[*:1] C[C@@H]([NH2+][C@H](c1cccc(c1)S(C)(=O)=O)c1ccc(F)c(F)c1)[*:1]
COC[C@@H](C)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](C)[NH2+][C@H](c1cccc(c1)S(C)(=O)=O)[*:1]
COC[C@@H](C)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 CS(=O)(=O)[*:1] COC[C@@H](C)[NH2+][C@H](c1cccc(c1)[*:1])c1ccc(F)c(F)c1
O=C(CCc1ccsc1)N1CCCC[C@@H]1c1nc[nH]n1 c1nc(n[nH]1)[*:1] O=C(CCc1ccsc1)N1CCCC[C@H]1[*:1]
O=C(CCc1ccsc1)N1CCCC[C@@H]1c1nc[nH]n1 c1cc(cs1)C[*:1] O=C(C[*:1])N1CCCC[C@@H]1c1nc[nH]n1
O=C(CCc1ccsc1)N1CCCC[C@@H]1c1nc[nH]n1 c1cc(cs1)[*:1] O=C(CC[*:1])N1CCCC[C@@H]1c1nc[nH]n1
COc1ccc(C)cc1NC(=O)C[C@H]1CSc2nc(C(C)C)cc(=O)n21 CC(C)[*:1] COc1ccc(C)cc1NC(=O)C[C@H]1CSc2nc(cc(=O)n21)[*:1]
C[C@@H](O)CCCOCc1ccccc1 C[C@@H](O)[*:1] c1ccc(cc1)COCCC[*:1]
C[C@@H](O)CCCOCc1ccccc1 C[C@@H](O)C[*:1] c1ccc(cc1)COCC[*:1]
C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCOc1ncccc1Cl Clc1cccnc1[*:1] C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCO[*:1]
CC[C@H]1COCCN1C[C@@H](CS)C(C)(C)C CC(C)(C)[*:1] CC[C@H]1COCCN1C[C@@H](CS)[*:1]
CCCCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 CCCCC[*:1] O=C(C[*:1])Nc1ccc(Cl)c(c1)C(=O)[O-]
CCCCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 CCCCCC[*:1] O=C([O-])c1cc(ccc1Cl)NC(=O)[*:1]
CCCCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 O=C([O-])[*:1] CCCCCCC(=O)Nc1ccc(Cl)c(c1)[*:1]
CCCCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 CCC[*:1] O=C(CCC[*:1])Nc1ccc(Cl)c(c1)C(=O)[O-]
CCCCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 CCCC[*:1] O=C(CC[*:1])Nc1ccc(Cl)c(c1)C(=O)[O-]
O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc2nc(-c3ccccn3)c(nc2c1)-c1ccccn1)N1CC[C@H](C1)[*:1]
O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CC[C@H](c2ccccc2)C1 c1ccc(nc1)[*:1] O=C(Nc1ccc2nc(-c3ccccn3)c(nc2c1)[*:1])N1CC[C@@H](C1)c1ccccc1
O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CC[C@H](c2ccccc2)C1 c1ccc(nc1)[*:1] O=C(Nc1ccc2nc(c(nc2c1)-c1ccccn1)[*:1])N1CC[C@@H](C1)c1ccccc1
Cc1ccccc1N1C[C@@H](C(=O)N(Cc2ccccc2)C(C)C)CC1=O Cc1ccccc1[*:1] CC(C)N(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1N1C[C@@H](C(=O)N(Cc2ccccc2)C(C)C)CC1=O c1ccc(cc1)[*:1] Cc1ccccc1N1C[C@H](CC1=O)C(=O)N(C[*:1])C(C)C
Cc1ccccc1N1C[C@@H](C(=O)N(Cc2ccccc2)C(C)C)CC1=O CC(C)[*:1] Cc1ccccc1N1C[C@H](CC1=O)C(=O)N(Cc1ccccc1)[*:1]
Cc1ccccc1N1C[C@@H](C(=O)N(Cc2ccccc2)C(C)C)CC1=O c1ccc(cc1)C[*:1] Cc1ccccc1N1C[C@H](CC1=O)C(=O)N(C(C)C)[*:1]
O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1cc(Cl)cc(Cl)c1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Clc1cc(Cl)cc(c1)[*:1] O=C(Nc1nnc(o1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
C[C@H](C#N)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](C#N)Sc1nnc(-c2ccccc2)c(n1)[*:1]
C[C@H](C#N)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](C#N)Sc1nnc(c(n1)-c1ccccc1)[*:1]
C[NH2+][C@H](c1ccoc1)[C@H]1CCO[C@]2(CCOC2)C1 c1cc(co1)[*:1] C[NH2+][C@H]([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
N#Cc1c(-c2cccn2-c2nccs2)cc(-c2ccccn2)nc1N c1csc(n1)[*:1] N#Cc1c(cc(nc1N)-c1ccccn1)-c1cccn1[*:1]
N#Cc1c(-c2cccn2-c2nccs2)cc(-c2ccccn2)nc1N c1ccc(nc1)[*:1] N#Cc1c(cc(nc1N)[*:1])-c1cccn1-c1nccs1
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3ccccc3F)cc2)n1 Fc1ccccc1[*:1] Cc1cc(C)nc(n1)SCc1ccc(cc1)C(=O)NNC(=O)[*:1]
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3ccccc3F)cc2)n1 Cc1cc(C)nc(n1)S[*:1] O=C(NNC(=O)c1ccccc1F)c1ccc(cc1)C[*:1]
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3ccccc3F)cc2)n1 Cc1cc(C)nc(n1)[*:1] O=C(NNC(=O)c1ccccc1F)c1ccc(cc1)CS[*:1]
CC(C)(CNC(=O)c1cccc(C#CC[NH3+])c1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] [NH3+]CC#Cc1cccc(c1)C(=O)NC[*:1]
CC(C)(CNC(=O)c1cccc(C#CC[NH3+])c1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNC(=O)c1cccc(C#CC[NH3+])c1)[*:1]
CC(C)(CNC(=O)c1cccc(C#CC[NH3+])c1)S(C)(=O)=O [NH3+]CC#C[*:1] CC(C)(CNC(=O)c1cccc(c1)[*:1])S(C)(=O)=O
C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCc2nccn2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)NCCc1nccn1[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCc2nccn2Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)NCCc1nccn1C[*:1]
CCOCCO[C@@H](C)C(=O)Nc1ccc2c(c1)CCO2 CCO[*:1] C[C@H](OCC[*:1])C(=O)Nc1ccc2OCCc2c1
CCOCCO[C@@H](C)C(=O)Nc1ccc2c(c1)CCO2 CCOCC[*:1] C[C@H](O[*:1])C(=O)Nc1ccc2OCCc2c1
CCOCCO[C@@H](C)C(=O)Nc1ccc2c(c1)CCO2 CCOCCO[*:1] C[C@@H](C(=O)Nc1ccc2OCCc2c1)[*:1]
CCOCCO[C@@H](C)C(=O)Nc1ccc2c(c1)CCO2 CCOC[*:1] C[C@H](OC[*:1])C(=O)Nc1ccc2OCCc2c1
CN(C(=O)c1ccc(F)nc1)c1cccc2ncccc12 Fc1ccc(cn1)[*:1] CN(C(=O)[*:1])c1cccc2ncccc12
CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(ccc1F)[*:1]
CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)[*:1]
CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(Br)o1 CCNC(=O)[*:1] O=C(c1ccc(Br)o1)N1c2ccccc2C[C@@H]1[*:1]
COC(=O)c1ccc(CN(c2cccc(C#N)c2)S(C)(=O)=O)o1 COC(=O)[*:1] CS(=O)(=O)N(Cc1ccc(o1)[*:1])c1cccc(C#N)c1
C[C@@H]1CC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)C1 c1cc(cc[nH+]1)[*:1] C[C@@H]1CC(C[C@@H](C)C1)[NH2+]CC1CCN(CC1)[*:1]
CCOc1c(Cl)cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC CCO[*:1] COc1cc(/C=C/C(=O)c2ccc3OCC(=O)Nc3c2)cc(Cl)c1[*:1]
CCN(Cc1ccccn1)C(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C Cc1nnnn1[*:1] CCN(Cc1ccccn1)C(=O)[C@@H](Cc1cccc(F)c1)[*:1]
CCN(Cc1ccccn1)C(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C c1ccc(C[*:1])nc1 CCN(C(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C)[*:1]
CCN(Cc1ccccn1)C(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C
CCN(Cc1ccccn1)C(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C Fc1cccc(c1)[*:1] CCN(Cc1ccccn1)C(=O)[C@@H](C[*:1])n1nnnc1C
CCN(Cc1ccccn1)C(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C Fc1cccc(c1)C[*:1] CCN(Cc1ccccn1)C(=O)[C@@H](n1nnnc1C)[*:1]
O=C(CSc1nnnn1C1CCCCC1)N(C1=CCCCC1)C1CC1 C1CCC(CC1)[*:1] O=C(CSc1nnnn1[*:1])N(C1=CCCCC1)C1CC1
O=C(CSc1nnnn1C1CCCCC1)N(C1=CCCCC1)C1CC1 C1CC1[*:1] O=C(CSc1nnnn1C1CCCCC1)N(C1=CCCCC1)[*:1]
C#CCCCC[NH2+][C@H](C)c1sccc1C C#CCCC[*:1] Cc1ccsc1[C@@H](C)[NH2+]C[*:1]
C#CCCCC[NH2+][C@H](C)c1sccc1C C#CC[*:1] Cc1ccsc1[C@@H](C)[NH2+]CCC[*:1]
C#CCCCC[NH2+][C@H](C)c1sccc1C C#CCC[*:1] Cc1ccsc1[C@@H](C)[NH2+]CC[*:1]
Cc1ccc([C@@H]2CN(CC(=O)N3CCC[C@H](C)C3)CCO2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H]1CCCN(C1)C(=O)CN1CCO[C@@H](C1)[*:1]
CCC[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CCO[C@@H]1C CCC[*:1] CC(C)Oc1ccc(cc1)[C@H]([NH2+][*:1])[C@@H]1CCO[C@@H]1C
CCC[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CCO[C@@H]1C CC(C)[*:1] CCC[NH2+][C@@H](c1ccc(cc1)O[*:1])[C@@H]1CCO[C@@H]1C
CCC[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CCO[C@@H]1C CC(C)O[*:1] CCC[NH2+][C@@H](c1ccc(cc1)[*:1])[C@@H]1CCO[C@@H]1C
C[C@H](CO)[NH2+][C@@H]1CCOC2(CCSCC2)C1 C[C@H](CO)[*:1] C1C[C@H](CC2(CCSCC2)O1)[NH2+][*:1]
CCO[C@@H](CCNC(=O)c1c(C)oc(C)c1C)C1CCCC1 CCO[*:1] Cc1oc(C)c(C(=O)NCC[C@@H](C2CCCC2)[*:1])c1C
CCO[C@@H](CCNC(=O)c1c(C)oc(C)c1C)C1CCCC1 C1CCC(C1)[*:1] CCO[C@@H](CCNC(=O)c1c(C)oc(C)c1C)[*:1]
CCCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 CCC[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)NC[*:1]
CCCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 CCCC[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)N[*:1]
CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCc1cc(C)cc(C)c1 CC(=O)N(C)[*:1] Cc1cc(C)cc(c1)CCNC(=O)C(=O)Nc1ccccc1[*:1]
CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)C[*:1] CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[*:1]
CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCC[*:1]
O=C(C[C@H](O)c1cccc(F)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])NC[C@H](c1ccco1)[NH+]1CCCC1
O=C(C[C@H](O)c1cccc(F)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] O=C(C[C@H](O)c1cccc(F)c1)NC[C@H]([NH+]1CCCC1)[*:1]
C=CCSC1=NC(=O)[C@@H]2C(=N1)NC(C)=C(C(=O)OCC)[C@H]2c1ccccc1 c1ccc(cc1)[*:1] C=CCSC1=NC(=O)[C@@H]2C(=N1)NC(C)=C(C(=O)OCC)[C@@H]2[*:1]
C=CCSC1=NC(=O)[C@@H]2C(=N1)NC(C)=C(C(=O)OCC)[C@H]2c1ccccc1 C=CC[*:1] CCOC(=O)C1=C(C)NC2=NC(=NC(=O)[C@H]2[C@@H]1c1ccccc1)S[*:1]
C=CCSC1=NC(=O)[C@@H]2C(=N1)NC(C)=C(C(=O)OCC)[C@H]2c1ccccc1 CCOC(=O)[*:1] C=CCSC1=NC(=O)[C@@H]2C(=N1)NC(C)=C([C@H]2c1ccccc1)[*:1]
CCC(=O)N1CCN(CCc2nc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] CCC(=O)N1CCN(CCc2nc(no2)[*:1])CC1
C[C@H](OCC1CC1)/C([O-])=N/S(=O)(=O)N1CCc2ccccc21 C1CC1[*:1] C[C@H](OC[*:1])/C([O-])=N/S(=O)(=O)N1CCc2ccccc21
C[C@H](OCC1CC1)/C([O-])=N/S(=O)(=O)N1CCc2ccccc21 C1CC1C[*:1] C[C@H](O[*:1])/C([O-])=N/S(=O)(=O)N1CCc2ccccc21
C[C@H](OCC1CC1)/C([O-])=N/S(=O)(=O)N1CCc2ccccc21 C1CC1CO[*:1] C[C@H](/C([O-])=N/S(=O)(=O)N1CCc2ccccc21)[*:1]
O=C([O-])C1CN(S(=O)(=O)c2ccc(F)cc2)C1 O=C([O-])[*:1] O=S(=O)(c1ccc(F)cc1)N1CC(C1)[*:1]
CO[C@H](C(=O)Nc1cccc(-c2ccnc(C)n2)c1)c1ccccc1 Cc1nccc(n1)[*:1] CO[C@H](C(=O)Nc1cccc(c1)[*:1])c1ccccc1
CO[C@H](C(=O)Nc1cccc(-c2ccnc(C)n2)c1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)Nc1cccc(c1)-c1ccnc(C)n1)[*:1]
CCNC(=O)CN(CC)C(=O)COc1ccccc1F CCNC(=O)[*:1] CCN(C[*:1])C(=O)COc1ccccc1F
CCNC(=O)CN(CC)C(=O)COc1ccccc1F CCNC(=O)C[*:1] CCN(C(=O)COc1ccccc1F)[*:1]
CCOC[C@@H]1CCN(C(=O)c2cccc(-c3csc(C)n3)c2)C1 CCO[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)c2cccc(-c3csc(C)n3)c2)C1 Cc1nc(cs1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
CCOC[C@@H]1CCN(C(=O)c2cccc(-c3csc(C)n3)c2)C1 CCOC[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)N1CC[C@H](C1)[*:1]
CC(C)[C@H](CO)NC(=O)[C@@]1([NH3+])CCOC1 CC(C)[*:1] [NH3+][C@@]1(CCOC1)C(=O)N[C@@H](CO)[*:1]
CCC(=O)Nc1ccc(Cn2cnc(-c3nc(-c4ccc(Cl)cc4)no3)c2)cc1 CCC(=O)N[*:1] Clc1ccc(cc1)-c1noc(n1)-c1cn(cn1)Cc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(Cn2cnc(-c3nc(-c4ccc(Cl)cc4)no3)c2)cc1 Clc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)Cn1cnc(c1)-c1nc(no1)[*:1]
CCOc1ccc([C@H](C)NC[C@](C)(O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H](C)NC[C@](C)(O)[*:1]
CCOc1ccc([C@H](C)NC[C@](C)(O)c2ccc(F)cc2)cc1 CCO[*:1] C[C@H](NC[C@](C)(O)c1ccc(F)cc1)c1ccc(cc1)[*:1]
O=C(CC1CCC1)Oc1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CC1CCC1)Oc1ccc(cc1)NC(=O)[*:1]
O=C(CC1CCC1)Oc1ccc(NC(=O)c2ccccc2)cc1 C1CC(C1)[*:1] O=C(C[*:1])Oc1ccc(cc1)NC(=O)c1ccccc1
O=C(CC1CCC1)Oc1ccc(NC(=O)c2ccccc2)cc1 C1CC(C1)C[*:1] O=C(Nc1ccc(cc1)OC(=O)[*:1])c1ccccc1
CC[C@H](C#N)Oc1cccc(CNC(=O)C(C)(C)C)c1 CC[C@H](C#N)O[*:1] CC(C)(C)C(=O)NCc1cccc(c1)[*:1]
CC[C@H](C#N)Oc1cccc(CNC(=O)C(C)(C)C)c1 CC(C)(C)[*:1] CC[C@H](C#N)Oc1cccc(c1)CNC(=O)[*:1]
Cc1ccccc1C(=O)NCCNC(=O)c1nc(Cn2nc(C)c(Cl)c2C)no1 Cc1ccccc1[*:1] Cc1nn(Cc2noc(n2)C(=O)NCCNC(=O)[*:1])c(C)c1Cl
Cc1ccccc1C(=O)NCCNC(=O)c1nc(Cn2nc(C)c(Cl)c2C)no1 Cc1nn(c(C)c1Cl)[*:1] Cc1ccccc1C(=O)NCCNC(=O)c1nc(C[*:1])no1
Cc1ccccc1C(=O)NCCNC(=O)c1nc(Cn2nc(C)c(Cl)c2C)no1 Cc1nn(C[*:1])c(C)c1Cl Cc1ccccc1C(=O)NCCNC(=O)c1nc(no1)[*:1]
Cc1cc(C)c(-c2csc(NC(=O)CSc3nc(N)cc(N)n3)n2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Nc1cc(N)nc(n1)SCC(=O)Nc1nc(cs1)[*:1]
Cc1cc(C)c(-c2csc(NC(=O)CSc3nc(N)cc(N)n3)n2)c(C)c1 Nc1cc(N)nc(n1)S[*:1] Cc1cc(C)c(-c2csc(n2)NC(=O)C[*:1])c(C)c1
Cc1cc(C)c(-c2csc(NC(=O)CSc3nc(N)cc(N)n3)n2)c(C)c1 Nc1cc(N)nc(n1)[*:1] Cc1cc(C)c(-c2csc(n2)NC(=O)CS[*:1])c(C)c1
O=C(Cc1ccc[nH]1)N[C@H]1CCCN(c2ccccc2)C1=O c1c[nH]c(c1)[*:1] O=C(C[*:1])N[C@H]1CCCN(C1=O)c1ccccc1
O=C(Cc1ccc[nH]1)N[C@H]1CCCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(Cc1ccc[nH]1)N[C@H]1CCCN(C1=O)[*:1]
O=C(Cc1ccc[nH]1)N[C@H]1CCCN(c2ccccc2)C1=O c1c[nH]c(c1)C[*:1] O=C1[C@H](CCCN1c1ccccc1)NC(=O)[*:1]
COc1ccc(Cl)cc1N1C[C@@H](C(=O)OC(C)C)CC1=O CC(C)[*:1] COc1ccc(Cl)cc1N1C[C@H](CC1=O)C(=O)O[*:1]
COc1ccc(Cl)cc1N1C[C@@H](C(=O)OC(C)C)CC1=O CC(C)OC(=O)[*:1] COc1ccc(Cl)cc1N1C[C@@H](CC1=O)[*:1]
Cc1ccc(NC(=O)N(Cc2ccccc2)C(C)C)s1 Cc1ccc(s1)[*:1] CC(C)N(Cc1ccccc1)C(=O)N[*:1]
Cc1ccc(NC(=O)N(Cc2ccccc2)C(C)C)s1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)N(C[*:1])C(C)C)s1
Cc1ccc(NC(=O)N(Cc2ccccc2)C(C)C)s1 CC(C)[*:1] Cc1ccc(NC(=O)N(Cc2ccccc2)[*:1])s1
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C=C2CCCCC2)cc1 CCN(CC)S(=O)(=O)[*:1] C[C@@H](NC(=O)C=C1CCCCC1)c1ccc(cc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C=C2CCCCC2)cc1 C(=C1CCCCC1)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)[*:1]
CCCN[C@H](c1c[nH+]ccc1N)C(C)(C)[NH+](C)C C[NH+](C)C(C)(C)[*:1] CCCN[C@H](c1c[nH+]ccc1N)[*:1]
CCCN[C@H](c1c[nH+]ccc1N)C(C)(C)[NH+](C)C CCCN[*:1] C[NH+](C)C(C)(C)[C@@H](c1c[nH+]ccc1N)[*:1]
CCCN[C@H](c1c[nH+]ccc1N)C(C)(C)[NH+](C)C CCC[*:1] C[NH+](C)C(C)(C)[C@H](N[*:1])c1c[nH+]ccc1N
O=C([O-])CCN/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 O=C([O-])C[*:1] O=S(=O)(/N=C(\NC[*:1])c1ccccc1)c1ccccc1
O=C([O-])CCN/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CCN/C(=N\S(=O)(=O)[*:1])c1ccccc1
O=C([O-])CCN/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CCN/C(=N\S(=O)(=O)c1ccccc1)[*:1]
O=C([O-])CCN/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 O=C([O-])[*:1] O=S(=O)(/N=C(\NCC[*:1])c1ccccc1)c1ccccc1
CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc3cn[nH]c23)o1 CC(C)(C)OC(=O)N[*:1] O=C(Nc1cccc2cn[nH]c12)c1ccc(C[*:1])o1
CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc3cn[nH]c23)o1 CC(C)(C)[*:1] O=C(NCc1ccc(o1)C(=O)Nc1cccc2cn[nH]c12)O[*:1]
C[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 O=[N+]([O-])[*:1] C[C@@H](O)C[NH2+]Cc1ccc(o1)-c1ccc(Cl)cc1[*:1]
Cc1ccc([C@@H]2CCCN2C(=O)CC[C@H]2NC(=O)N(C3CCCCC3)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C1N[C@H](CCC(=O)N2CCC[C@H]2[*:1])C(=O)N1C1CCCCC1
Cc1ccc([C@@H]2CCCN2C(=O)CC[C@H]2NC(=O)N(C3CCCCC3)C2=O)cc1C C1CCC(CC1)[*:1] Cc1ccc(cc1C)[C@@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(C1=O)[*:1]
Cc1ccc(/C=C/C(=O)NCC2CCC(C(=O)[O-])CC2)s1 O=C([O-])[*:1] Cc1ccc(/C=C/C(=O)NCC2CCC(CC2)[*:1])s1
Cc1ccc(/C=C/C(=O)NCC2CCC(C(=O)[O-])CC2)s1 Cc1ccc(s1)[*:1] O=C(C=C[*:1])NCC1CCC(CC1)C(=O)[O-]
Cc1ccccc1[C@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1[C@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccccc1)[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 Cc1ccccc1[*:1] N#C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 O=C(N[*:1])c1ccccc1 Cc1ccccc1[C@H](C#N)NC(=O)C[C@@H](c1ccccc1)[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1[C@H](C#N)NC(=O)C[C@@H](NC(=O)[*:1])c1ccccc1
O=c1[nH]c(=S)[nH]c([O-])c1/C=N/CCCN1CCOCC1 C1CN(CCO1)[*:1] O=c1[nH]c(=S)[nH]c([O-])c1/C=N/CCC[*:1]
CCOc1cc2c(cc1CNC(=O)c1cccnc1SC(F)F)O[C@@H](C)C2 FC(F)[*:1] CCOc1cc2C[C@H](C)Oc2cc1CNC(=O)c1cccnc1S[*:1]
CCOc1cc2c(cc1CNC(=O)c1cccnc1SC(F)F)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)CNC(=O)c1cccnc1SC(F)F)[*:1]
CCOc1cc2c(cc1CNC(=O)c1cccnc1SC(F)F)O[C@@H](C)C2 FC(F)S[*:1] CCOc1cc2C[C@H](C)Oc2cc1CNC(=O)c1cccnc1[*:1]
CSCC[C@@H](NC(=O)N(C)C1CCCCC1)c1nnc2ccccn12 CSC[*:1] CN(C(=O)N[C@H](C[*:1])c1nnc2ccccn12)C1CCCCC1
CSCC[C@@H](NC(=O)N(C)C1CCCCC1)c1nnc2ccccn12 CSCC[*:1] CN(C(=O)N[C@@H](c1nnc2ccccn12)[*:1])C1CCCCC1
CSCC[C@@H](NC(=O)N(C)C1CCCCC1)c1nnc2ccccn12 C1CCC(CC1)[*:1] CSCC[C@@H](NC(=O)N(C)[*:1])c1nnc2ccccn12
CCN1C[C@H](C(=O)NCCc2nc(C(C)C)no2)CCC1=O CC(C)[*:1] CCN1C[C@@H](CCC1=O)C(=O)NCCc1nc(no1)[*:1]
Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C)cc2F)c(F)c1 Cc1ccc(c(F)c1)[*:1] Cc1ccc(NC(=O)CCCC(=O)N[*:1])c(F)c1
N#CCOc1ccc(/C=C\C(=O)NCCc2nnc3n2CCCCC3)cc1 N#CC[*:1] O=C(/C=C\c1ccc(cc1)O[*:1])NCCc1nnc2CCCCCn21
N#CCOc1ccc(/C=C\C(=O)NCCc2nnc3n2CCCCC3)cc1 N#CCO[*:1] O=C(/C=C\c1ccc(cc1)[*:1])NCCc1nnc2CCCCCn21
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 O=[N+]([O-])[*:1] Cc1nc(cn1CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(-c2ccccc2)cc1 Clc1ccccc1[*:1] O=C(CCNC(=O)[*:1])Nc1ccc(cc1)-c1ccccc1
O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(cc1)[*:1]
Cc1ccc(CNc2ncnc(NNC(=O)c3ccccc3)c2N)cc1 Cc1ccc(cc1)[*:1] Nc1c(ncnc1NNC(=O)c1ccccc1)NC[*:1]
Cc1ccc(CNc2ncnc(NNC(=O)c3ccccc3)c2N)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CNc1ncnc(NNC(=O)[*:1])c1N
Cc1ccc(CNc2ncnc(NNC(=O)c3ccccc3)c2N)cc1 Cc1ccc(cc1)C[*:1] Nc1c(ncnc1N[*:1])NNC(=O)c1ccccc1
O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccsc1 c1cc(cs1)[*:1] O=C(OCc1cc(=O)oc2cc(O)ccc12)[*:1]
Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3c[nH]c[nH+]3)[C@@H]2O)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NC[C@H]1OC[C@@H](NCc2c[nH]c[nH+]2)[C@@H]1O)[*:1]
CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(C)c1CC CCOC(=O)[*:1] CCc1c(C)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1[*:1]
CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(C)c1CC O=[N+]([O-])[*:1] CCOC(=O)c1c(NC(=O)c2ccccc2[*:1])sc(C)c1CC
Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])c(C)s2)cc1C Cc1ccc(cc1C)[*:1] Cc1sc(/C=N/NC(=O)CO[*:1])cc1[N+](=O)[O-]
Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])c(C)s2)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)OCC(=O)N/N=C/c1cc(c(C)s1)[*:1]
Cc1cc(C)c(-c2c(N3CCN(C4CCCCC4)CC3)c(=O)c2=O)cc1C Cc1cc(C)c(cc1C)[*:1] O=c1c(c(c1=O)[*:1])N1CCN(CC1)C1CCCCC1
Cc1cc(C)c(-c2c(N3CCN(C4CCCCC4)CC3)c(=O)c2=O)cc1C C1CCC(CC1)[*:1] Cc1cc(C)c(cc1C)-c1c(c(=O)c1=O)N1CCN(CC1)[*:1]
O=C(NCC1(Sc2ccccc2)CC1)C(=O)Nc1ccccc1-n1cccn1 c1ccc(cc1)S[*:1] O=C(NCC1(CC1)[*:1])C(=O)Nc1ccccc1-n1cccn1
O=C(NCC1(Sc2ccccc2)CC1)C(=O)Nc1ccccc1-n1cccn1 c1ccc(cc1)[*:1] O=C(NCC1(CC1)S[*:1])C(=O)Nc1ccccc1-n1cccn1
O=C(NCC1(Sc2ccccc2)CC1)C(=O)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] O=C(NCC1(CC1)Sc1ccccc1)C(=O)Nc1ccccc1[*:1]
Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 Cc1ccccc1[*:1] O=C(N/N=C/C=C/c1ccccc1)c1ccc(cc1)NC(=O)[*:1]
Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N/N=C/C=C[*:1]
Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 C(=C[*:1])c1ccccc1 Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)NN=C[*:1]
Cc1ccc(-n2cnnc2SCc2ccc(C(=O)N3CCCC3)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(c1ccc(cc1)CSc1nncn1[*:1])N1CCCC1
Cc1ccc(-n2cnnc2SCc2ccc(C(=O)N3CCCC3)cc2)c(C)c1 O=C(N1CCCC1)[*:1] Cc1ccc(c(C)c1)-n1cnnc1SCc1ccc(cc1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 O=S(=O)(Nc1nccs1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 c1csc(n1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
CC(C)(C)SCC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 CC(C)(C)SC[*:1] CC(C)(NC(=O)[*:1])c1ccc(Cl)c(Cl)c1
CC(C)(C)SCC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 CC(C)(C)S[*:1] CC(C)(NC(=O)C[*:1])c1ccc(Cl)c(Cl)c1
CC(C)(C)SCC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 CC(C)(C)[*:1] CC(C)(NC(=O)CS[*:1])c1ccc(Cl)c(Cl)c1
O=C([O-])[C@H]1C=NC2=C(CCCC2)C1=O O=C([O-])[*:1] O=C1C2CCCCC=2N=C[C@@H]1[*:1]
C[C@@H](CNC(=O)[C@]1(C)CC1(Cl)Cl)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@]1(C)CC1(Cl)Cl)c1nc(no1)[*:1]
COC(=O)[C@H]1NN(c2ccccc2)[C@@]2(SC(C(C)=O)=C(C)N2c2ccccc2)S1 COC(=O)[*:1] CC(=O)C1S[C@]2(S[C@H](NN2c2ccccc2)[*:1])N(C=1C)c1ccccc1
COC(=O)[C@H]1NN(c2ccccc2)[C@@]2(SC(C(C)=O)=C(C)N2c2ccccc2)S1 CC(=O)[*:1] COC(=O)[C@H]1NN(c2ccccc2)[C@@]2(SC(=C(C)N2c2ccccc2)[*:1])S1
COC(=O)[C@H]1NN(c2ccccc2)[C@@]2(SC(C(C)=O)=C(C)N2c2ccccc2)S1 c1ccc(cc1)[*:1] COC(=O)[C@H]1NN(c2ccccc2)[C@@]2(SC(C(C)=O)=C(C)N2[*:1])S1
COC(=O)[C@H]1NN(c2ccccc2)[C@@]2(SC(C(C)=O)=C(C)N2c2ccccc2)S1 c1ccc(cc1)[*:1] COC(=O)[C@H]1NN([C@@]2(SC(C(C)=O)=C(C)N2c2ccccc2)S1)[*:1]
CCCSCC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 CCC[*:1] O=C(CS[*:1])N[C@H]1C[C@@H]1c1cccc(Cl)c1
CCCSCC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 CCCS[*:1] O=C(C[*:1])N[C@H]1C[C@@H]1c1cccc(Cl)c1
CCCSCC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 CCCSC[*:1] O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
O=C([C@H]1Cc2ccccc2S1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc2cc(ccc2c1)[*:1] O=C([C@H]1Cc2ccccc2S1)N1CCN(CC1)S(=O)(=O)[*:1]
C#CCOC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 C#CCOC(=O)[*:1] O=C(NCC[*:1])NC12CC3CC(CC(C3)C1)C2
C#CCOC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 C#CCOC(=O)C[*:1] O=C(NC[*:1])NC12CC3CC(CC(C3)C1)C2
C#CCOC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 C#CC[*:1] O=C(NCCC(=O)O[*:1])NC12CC3CC(CC(C3)C1)C2
Cc1ccc(/N=c2\ssnc2Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(/N=c2\ssnc2Cl)c(c1)[*:1]
CCN(Cc1cnn(C)c1)C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C Cn1cc(cn1)[*:1] CCN(C[*:1])C(=O)CCc1c(C)nc2c(c(nn2C)OC)c1C
CCN(Cc1cnn(C)c1)C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C Cn1cc(cn1)C[*:1] CCN(C(=O)CCc1c(C)nc2c(c(nn2C)OC)c1C)[*:1]
COc1ccc2c(COC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)cc(=O)oc2c1 O=C1c2ccccc2C(=O)N1[*:1] COc1ccc2c(cc(=O)oc2c1)COC(=O)c1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)NC[C@H](C)Oc2ccccc2)c(F)c1 c1ccc(cc1)O[*:1] Cc1ccc(c(F)c1)S(=O)(=O)NC[C@H](C)[*:1]
Cc1ccc(S(=O)(=O)NC[C@H](C)Oc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] Cc1ccc(c(F)c1)S(=O)(=O)NC[C@H](C)O[*:1]
CC[C@@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccc(C)cc2)ccc1=O Cc1cccc(c1C)[*:1] CC[C@@H](C(=O)N[*:1])n1nc(ccc1=O)-c1ccc(C)cc1
CC[C@@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccc(C)cc2)ccc1=O Cc1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1cccc(C)c1C)n1nc(ccc1=O)[*:1]
COC(=O)[C@@]1(c2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 c1ccc(cc1)[*:1] COC(=O)[C@]1([NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@@H]21)c1ccccc1)[*:1]
COC(=O)[C@@]1(c2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 COC(=O)[*:1] Cc1ccccc1[C@H]1[NH2+][C@](c2ccccc2)([C@H]2C(=O)N(C(=O)[C@H]12)c1ccccc1)[*:1]
COC(=O)[C@@]1(c2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 Cc1ccccc1[*:1] COC(=O)[C@]1([NH2+][C@H]([C@H]2C(=O)N(C(=O)[C@@H]21)c1ccccc1)[*:1])c1ccccc1
COC(=O)[C@@]1(c2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 c1ccc(cc1)[*:1] COC(=O)[C@]1([NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1])c1ccccc1
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](C)Cn1cccn1 Clc1ccc(cc1Cl)[*:1] CCN(C[*:1])C(=O)NC[C@@H](C)Cn1cccn1
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](C)Cn1cccn1 c1cnn(c1)[*:1] CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](C)C[*:1]
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](C)Cn1cccn1 c1cnn(c1)C[*:1] CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](C)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 CC(C)(C)C(=O)N[*:1] C[C@H](C(=O)N1CCN(CC1)c1cc[nH+]cc1)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 CC(C)(C)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCN(CC1)c1cc[nH+]cc1
CCCn1c([O-])c(C(=O)N/N=C/c2ccncc2)c(=O)c2ccccc21 CCC[*:1] O=C(N/N=C/c1ccncc1)c1c([O-])n(c2ccccc2c1=O)[*:1]
CCCn1c([O-])c(C(=O)N/N=C/c2ccncc2)c(=O)c2ccccc21 c1cc(ccn1)[*:1] CCCn1c([O-])c(C(=O)NN=C[*:1])c(=O)c2ccccc21
O=C([O-])c1ccc(COc2cccc(C(F)(F)F)c2)nc1 FC(F)(F)[*:1] O=C([O-])c1ccc(COc2cccc(c2)[*:1])nc1
O=C([O-])c1ccc(COc2cccc(C(F)(F)F)c2)nc1 O=C([O-])[*:1] FC(F)(F)c1cccc(c1)OCc1ccc(cn1)[*:1]
O=C(CCC1CC1)Oc1ccc(N2CCCC2)cc1 C1CC1CC[*:1] O=C(Oc1ccc(cc1)N1CCCC1)[*:1]
O=C(CCC1CC1)Oc1ccc(N2CCCC2)cc1 C1CC1C[*:1] O=C(C[*:1])Oc1ccc(cc1)N1CCCC1
O=C(CCC1CC1)Oc1ccc(N2CCCC2)cc1 C1CCN(C1)[*:1] O=C(CCC1CC1)Oc1ccc(cc1)[*:1]
O=C(CCC1CC1)Oc1ccc(N2CCCC2)cc1 C1CC1[*:1] O=C(CC[*:1])Oc1ccc(cc1)N1CCCC1
Cc1cccc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)c1 Cc1cccc(c1)C[*:1] O=C(N[C@H](Cc1cc(=O)[nH]c(n1)-c1ccccn1)c1ccccc1)[*:1]
Cc1cccc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CC(=O)N[C@H](Cc1cc(=O)[nH]c(n1)-c1ccccn1)[*:1]
Cc1cccc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)CC(=O)N[C@H](Cc1cc(=O)[nH]c(n1)[*:1])c1ccccc1
Cc1cccc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])N[C@H](Cc1cc(=O)[nH]c(n1)-c1ccccn1)c1ccccc1
CCOCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 CCOCC[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCCC1)N[*:1]
CCOCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 CCOC[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCCC1)NC[*:1]
CCOCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 C1CCCN(CC1)[*:1] CCOCCNC(=O)NCc1ccc([nH+]c1)[*:1]
CCOCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 CCO[*:1] O=C(NCC[*:1])NCc1ccc([nH+]c1)N1CCCCCC1
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)c1 O=C([O-])[*:1] Cc1cc(c(O)c(c1)[*:1])S(=O)(=O)N1CCCc2cc(F)cc(F)c21
CN1CCc2c1nc1ccccc1c2NC(=O)/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 CN1CCc2c1nc1ccccc1c2NC(=O)[*:1]
CN1CCc2c1nc1ccccc1c2NC(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CN1CCc2c1nc1ccccc1c2NC(=O)C=C[*:1]
C[NH+](CC(=O)Nc1ccccc1C#N)Cc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1ccccc1C#N)Cc1cnn(c1)[*:1]
C[NH+](CC(=O)Nc1ccccc1C#N)Cc1cnn(-c2ccccc2)c1 N#Cc1ccccc1[*:1] C[NH+](CC(=O)N[*:1])Cc1cnn(c1)-c1ccccc1
Cc1cccc2nc(NCC[NH+](C)C(C)C)nn12 CC(C)[*:1] Cc1cccc2nc(nn12)NCC[NH+](C)[*:1]
COc1cc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)ccc1OCC(=O)c1c(C)[nH]c2ccccc12 Cc1[nH]c2ccccc2c1[*:1] COc1cc(ccc1OCC(=O)[*:1])-c1cc(OC)c2c(C)oc(C)c2c(=O)c1
COc1cc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)ccc1OCC(=O)c1c(C)[nH]c2ccccc12 Cc1[nH]c2ccccc2c1C(=O)[*:1] COc1cc(ccc1OC[*:1])-c1cc(OC)c2c(C)oc(C)c2c(=O)c1
O=C1/C(=C/c2cc(Br)cc3c2OCOC3)Oc2cc(OC(=O)[C@H]3CCCO3)ccc21 O=C(O[*:1])[C@H]1CCCO1 O=C1/C(=C/c2cc(Br)cc3COCOc23)Oc2cc(ccc21)[*:1]
COc1cccc(CN(C)C(=O)c2oc3ccccc3c2C[S@@](C)=O)c1 COc1cccc(c1)[*:1] CN(C[*:1])C(=O)c1oc2ccccc2c1C[S@@](C)=O
COc1ccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)cc1 COc1ccccc1[*:1] COc1ccc(cc1)N(CC(=O)N1CCN(CC1)[*:1])S(C)(=O)=O
COc1ccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)cc1 COc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)CN(S(C)(=O)=O)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@@H]1CCCn2nc(COC)nc21 CC[C@@H](CSC)[*:1] COCc1nc2[C@@H](CCCn2n1)NC(=O)N(C)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@@H]1CCCn2nc(COC)nc21 COC[*:1] CC[C@@H](CSC)N(C)C(=O)N[C@@H]1CCCn2nc(nc21)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@@H]1CCCn2nc(COC)nc21 CSC[*:1] CC[C@@H](N(C)C(=O)N[C@@H]1CCCn2nc(COC)nc21)[*:1]
C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(N)=O C[C@H](C(N)=O)[*:1] c1cncc(c1)-c1nnc(S[*:1])n1Cc1ccco1
C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(N)=O C[C@H](S[*:1])C(N)=O c1cncc(c1)-c1nnc(n1Cc1ccco1)[*:1]
C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(N)=O c1coc(c1)[*:1] C[C@H](Sc1nnc(-c2cccnc2)n1C[*:1])C(N)=O
C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(N)=O c1cncc(c1)[*:1] C[C@H](Sc1nnc(n1Cc1ccco1)[*:1])C(N)=O
C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(N)=O NC(=O)[*:1] C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)[*:1]
C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(N)=O c1coc(c1)C[*:1] C[C@H](Sc1nnc(-c2cccnc2)n1[*:1])C(N)=O
COc1ccc(F)cc1NC(=O)N[C@@H](C)c1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)N[C@@H](C)c1nnnn1[*:1]
Cc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cncc(Br)c1
Cc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1 Brc1cncc(c1)[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
Cn1ncc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1-n1cccc1 c1ccc(cc1)[*:1] Cn1ncc(C(=O)NC[C@@H]2CCN(C2)[*:1])c1-n1cccc1
Cn1ncc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1-n1cccc1 c1ccn(c1)[*:1] Cn1ncc(C(=O)NC[C@@H]2CCN(C2)c2ccccc2)c1[*:1]
C[C@@H](CS(=O)(=O)[N-]c1c(F)cc(Cl)cc1F)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CS(=O)(=O)[N-]c1c(F)cc(Cl)cc1F)[*:1]
C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC2(C1)OCCO2 C=C(C)C[*:1] CCN(C(=O)[C@H](C)N1CCCC2(C1)OCCO2)[*:1]
C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC2(C1)OCCO2 C=C(C)[*:1] CCN(C[*:1])C(=O)[C@H](C)N1CCCC2(C1)OCCO2
O=C(Cn1cc(NC(=O)N[C@H](CO)c2ccccc2)cn1)NC1CCCC1 OC[C@H](c1ccccc1)[*:1] O=C(Cn1cc(cn1)NC(=O)N[*:1])NC1CCCC1
O=C(Cn1cc(NC(=O)N[C@H](CO)c2ccccc2)cn1)NC1CCCC1 O=C(C[*:1])NC1CCCC1 O=C(Nc1cnn(c1)[*:1])N[C@H](CO)c1ccccc1
O=C(Cn1cc(NC(=O)N[C@H](CO)c2ccccc2)cn1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1cc(cn1)NC(=O)N[C@H](CO)c1ccccc1)N[*:1]
O=C(Cn1cc(NC(=O)N[C@H](CO)c2ccccc2)cn1)NC1CCCC1 c1ccc(cc1)[*:1] O=C(Cn1cc(cn1)NC(=O)N[C@H](CO)[*:1])NC1CCCC1
O=C(Cn1cc(NC(=O)N[C@H](CO)c2ccccc2)cn1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C(Nc1cnn(c1)C[*:1])N[C@H](CO)c1ccccc1
Cc1c(C(=O)N2CC[C@@H](C)C[C@H]2C)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CC[C@@H](C)C[C@H]1C
C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1[*:1]
C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[*:1]
Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2Br)c(C)c1 Brc1ccccc1[*:1] Cc1ccc(O[C@H](C)C(=O)N[*:1])c(C)c1
O=C([O-])[C@@H]1C=C[C@H](Nc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 O=C([O-])[*:1] O=[N+]([O-])c1cc(Cl)c(F)cc1N[C@H]1C=C[C@H](C1)[*:1]
O=C([O-])[C@@H]1C=C[C@H](Nc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] O=C([O-])[C@@H]1C=C[C@@H](C1)Nc1cc(F)c(Cl)cc1[*:1]
O=C(CNC(=O)c1cccs1)NC[C@@H](O)c1c(F)cccc1F c1csc(c1)[*:1] O=C(CNC(=O)[*:1])NC[C@@H](O)c1c(F)cccc1F
c1ccc(CC2(Cc3ccc4c(c3)CCC4)C[NH2+]C2)cc1 c1ccc(cc1)[*:1] c1cc2CCCc2cc1CC1(C[NH2+]C1)C[*:1]
c1ccc(CC2(Cc3ccc4c(c3)CCC4)C[NH2+]C2)cc1 c1ccc(cc1)C[*:1] c1cc2CCCc2cc1CC1(C[NH2+]C1)[*:1]
Cc1nnc(NC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)s1 Cc1nnc(s1)[*:1] O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)N[*:1]
Cc1nnc(NC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)s1 Cc1nnc(NC(=O)[*:1])s1 O=C1N[C@]2(CCC(=O)N(CC2)C[*:1])Oc2ccccc21
COc1ccccc1C[NH2+]CC1(N(C)C)CCOCC1 CN(C)[*:1] COc1ccccc1C[NH2+]CC1(CCOCC1)[*:1]
O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 O=c1cc(oc2ccccc12)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C(F)(F)F)[*:1]
O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 FC(F)(F)c1nc(no1)[*:1] O=C(c1cc(=O)c2ccccc2o1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 FC(F)(F)[*:1] O=C(c1cc(=O)c2ccccc2o1)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
NC(=O)NCCC(=O)NCCc1c[nH]c2ccccc12 NC(=O)NCC[*:1] O=C(NCCc1c[nH]c2ccccc12)[*:1]
NC(=O)NCCC(=O)NCCc1c[nH]c2ccccc12 NC(=O)NC[*:1] O=C(C[*:1])NCCc1c[nH]c2ccccc12
NC(=O)NCCC(=O)NCCc1c[nH]c2ccccc12 NC(=O)N[*:1] O=C(CC[*:1])NCCc1c[nH]c2ccccc12
C=CCO[C@@H](C)C(=O)N1CCN(C[C@H](C)O)CC1 C=CCO[C@@H](C)[*:1] C[C@H](O)CN1CCN(CC1)C(=O)[*:1]
C=CCO[C@@H](C)C(=O)N1CCN(C[C@H](C)O)CC1 C[C@H](O)[*:1] C=CCO[C@@H](C)C(=O)N1CCN(CC1)C[*:1]
C=CCO[C@@H](C)C(=O)N1CCN(C[C@H](C)O)CC1 C[C@H](O)C[*:1] C=CCO[C@@H](C)C(=O)N1CCN(CC1)[*:1]
C=CCO[C@@H](C)C(=O)N1CCN(C[C@H](C)O)CC1 C=CC[*:1] C[C@H](O)CN1CCN(CC1)C(=O)[C@H](C)O[*:1]
C=CCO[C@@H](C)C(=O)N1CCN(C[C@H](C)O)CC1 C=CCO[*:1] C[C@H](O)CN1CCN(CC1)C(=O)[C@H](C)[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1C Cc1n[nH]c(C)c1[*:1] Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1[*:1]
NC(=O)N1CCC(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)N1CCC(CC1)C(=O)N[C@@H](CN1CCOCC1)[*:1]
NC(=O)N1CCC(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 C1CN(CCO1)[*:1] NC(=O)N1CCC(CC1)C(=O)N[C@@H](C[*:1])c1ccccc1
NC(=O)N1CCC(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 C1CN(CCO1)C[*:1] NC(=O)N1CCC(CC1)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)CNC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 FC(F)(F)[*:1] CC(C)CNC(=O)NC1(Oc2ccccc2O1)[*:1]
CC(C)CNC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 CC(C)[*:1] O=C(NC[*:1])NC1(Oc2ccccc2O1)C(F)(F)F
CC(C)CNC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 CC(C)C[*:1] O=C(NC1(Oc2ccccc2O1)C(F)(F)F)N[*:1]
O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1F O=C(N1CCOCC1)[*:1] O=C(Nc1ccccc1[*:1])c1ccccc1F
O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1F Fc1ccccc1[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCOCC1
CC(C)(CCC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)o1 CC(C)(C)OC(=O)[*:1] CC(C)(CC[*:1])NC(=O)c1ccc(Br)o1
CC(C)(CCC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] CC(C)(CCC(=O)OC(C)(C)C)NC(=O)[*:1]
CC(C)(CCC(=O)OC(C)(C)C)NC(=O)c1ccc(Br)o1 CC(C)(C)[*:1] CC(C)(CCC(=O)O[*:1])NC(=O)c1ccc(Br)o1
COC(=O)c1ccc(S(=O)(=O)NCCn2nc(C)cc2C)cc1 Cc1cc(C)n(n1)[*:1] COC(=O)c1ccc(cc1)S(=O)(=O)NCC[*:1]
COC(=O)c1ccc(S(=O)(=O)NCCn2nc(C)cc2C)cc1 COC(=O)[*:1] Cc1cc(C)n(CCNS(=O)(=O)c2ccc(cc2)[*:1])n1
CS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CS(=O)(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(c1)[*:1]
CS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 CS(=O)(=O)[*:1] O=[N+]([O-])c1cccc(c1)NS(=O)(=O)c1cccc(c1)[*:1]
CC(C)C[C@@H](c1ccccc1)N1CC[C@H]([NH3+])[C@H](C)C1 CC(C)C[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])[C@H](c1ccccc1)[*:1]
CC(C)C[C@@H](c1ccccc1)N1CC[C@H]([NH3+])[C@H](C)C1 CC(C)[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])[C@@H](C[*:1])c1ccccc1
CC(C)C[C@@H](c1ccccc1)N1CC[C@H]([NH3+])[C@H](C)C1 c1ccc(cc1)[*:1] CC(C)C[C@@H](N1CC[C@H]([NH3+])[C@H](C)C1)[*:1]
NC(=O)c1ccc(Nc2ccc(F)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(Nc2ccc(F)cc2)c(c1)[*:1]
NC(=O)c1ccc(Nc2ccc(F)cc2)c([N+](=O)[O-])c1 NC(=O)[*:1] O=[N+]([O-])c1cc(ccc1Nc1ccc(F)cc1)[*:1]
Cc1cc(C)c2c(CNC(=O)c3ccccc3Br)cc(=O)oc2c1 Brc1ccccc1[*:1] Cc1cc(C)c2c(cc(=O)oc2c1)CNC(=O)[*:1]
N#Cc1ccc(OC(=O)c2ccccc2SCC(N)=O)c(Cl)c1 NC(=O)CS[*:1] N#Cc1ccc(OC(=O)c2ccccc2[*:1])c(Cl)c1
N#Cc1ccc(OC(=O)c2ccccc2SCC(N)=O)c(Cl)c1 NC(=O)C[*:1] N#Cc1ccc(OC(=O)c2ccccc2S[*:1])c(Cl)c1
N#Cc1ccc(OC(=O)c2ccccc2SCC(N)=O)c(Cl)c1 NC(=O)[*:1] N#Cc1ccc(OC(=O)c2ccccc2SC[*:1])c(Cl)c1
Cc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)nnc2c1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nn2c(C)c(nnc2c1[*:1])C(=O)N1CCN(CC1)Cc1ccccc1
Cc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)nnc2c1-c1cccc(Cl)c1 c1ccc(cc1)[*:1] Cc1nn2c(C)c(nnc2c1-c1cccc(Cl)c1)C(=O)N1CCN(CC1)C[*:1]
Cc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)nnc2c1-c1cccc(Cl)c1 c1ccc(cc1)C[*:1] Cc1nn2c(C)c(nnc2c1-c1cccc(Cl)c1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc2c(c1)=[NH+][C@@H](SCC(=O)Nc1ncc(C)s1)[NH+]=2 Cc1cnc(s1)[*:1] Cc1ccc2=[NH+][C@@H]([NH+]=c2c1)SCC(=O)N[*:1]
Cc1cc(Br)cc([N+](=O)[O-])c1OCCBr BrCC[*:1] Cc1cc(Br)cc(c1O[*:1])[N+](=O)[O-]
Cc1cc(Br)cc([N+](=O)[O-])c1OCCBr BrCCO[*:1] Cc1cc(Br)cc(c1[*:1])[N+](=O)[O-]
Cc1cc(Br)cc([N+](=O)[O-])c1OCCBr O=[N+]([O-])[*:1] Cc1cc(Br)cc(c1OCCBr)[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)n(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(NC(=O)C2CCN(CC2)C(=O)C(C)(C)C)n(n1)[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)n(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cc1cc(NC(=O)C2CCN(CC2)C(=O)C(C)(C)C)n(n1)-c1ccc(cc1)[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)n(-c2ccc([N+](=O)[O-])cc2)n1 CC(C)(C)[*:1] Cc1cc(NC(=O)C2CCN(CC2)C(=O)[*:1])n(n1)-c1ccc(cc1)[N+](=O)[O-]
CSCc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 CSC[*:1] O=C(N[C@H]1CCCc2ccccc21)c1ccc(cc1)[*:1]
CCN(Cc1ccccc1Cl)C(=O)c1cc(S(N)(=O)=O)c(C)o1 Clc1ccccc1[*:1] CCN(C[*:1])C(=O)c1cc(c(C)o1)S(N)(=O)=O
CCN(Cc1ccccc1Cl)C(=O)c1cc(S(N)(=O)=O)c(C)o1 NS(=O)(=O)[*:1] CCN(Cc1ccccc1Cl)C(=O)c1cc(c(C)o1)[*:1]
O=C(COc1ccc(F)cc1F)NCc1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(COc1ccc(F)cc1F)NC[*:1]
Cc1cc(-c2nnc(CN3CCCCC[C@H]3c3ccco3)o2)c(C)o1 c1coc(c1)[*:1] Cc1cc(-c2nnc(CN3CCCCC[C@@H]3[*:1])o2)c(C)o1
Cc1cc(-c2nnc(CN3CCCCC[C@H]3c3ccco3)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] c1coc(c1)[C@@H]1CCCCCN1Cc1nnc(o1)[*:1]
Cn1c(C(=O)OC[C@H](C#N)Cc2cccs2)cc(Cl)c1Cl c1csc(c1)[*:1] Cn1c(cc(Cl)c1Cl)C(=O)OC[C@H](C#N)C[*:1]
Cn1c(C(=O)OC[C@H](C#N)Cc2cccs2)cc(Cl)c1Cl c1csc(c1)C[*:1] Cn1c(cc(Cl)c1Cl)C(=O)OC[C@H](C#N)[*:1]
Nc1c(NCCc2cccs2)ncnc1NC1CCCCC1 C1CCC(CC1)[*:1] Nc1c(ncnc1N[*:1])NCCc1cccs1
Nc1c(NCCc2cccs2)ncnc1NC1CCCCC1 c1csc(c1)C[*:1] Nc1c(ncnc1NC1CCCCC1)NC[*:1]
Nc1c(NCCc2cccs2)ncnc1NC1CCCCC1 C1CCC(CC1)N[*:1] Nc1c(ncnc1[*:1])NCCc1cccs1
Nc1c(NCCc2cccs2)ncnc1NC1CCCCC1 c1csc(c1)CC[*:1] Nc1c(ncnc1N[*:1])NC1CCCCC1
Nc1c(NCCc2cccs2)ncnc1NC1CCCCC1 c1csc(c1)[*:1] Nc1c(ncnc1NC1CCCCC1)NCC[*:1]
CCc1noc([C@H](C)N2CC[NH+](Cc3ccccn3)CC2)n1 CCc1noc(n1)[*:1] C[C@H](N1CC[NH+](CC1)Cc1ccccn1)[*:1]
CCc1noc([C@H](C)N2CC[NH+](Cc3ccccn3)CC2)n1 c1ccc(C[*:1])nc1 CCc1noc(n1)[C@H](C)N1CC[NH+](CC1)[*:1]
CCc1noc([C@H](C)N2CC[NH+](Cc3ccccn3)CC2)n1 c1ccc(nc1)[*:1] CCc1noc(n1)[C@H](C)N1CC[NH+](CC1)C[*:1]
O=C([O-])CSc1nc(-c2cccc(Br)c2)c[nH]1 O=C([O-])[*:1] Brc1cccc(c1)-c1c[nH]c(n1)SC[*:1]
O=C([O-])CSc1nc(-c2cccc(Br)c2)c[nH]1 O=C([O-])C[*:1] Brc1cccc(c1)-c1c[nH]c(n1)S[*:1]
O=C([O-])CSc1nc(-c2cccc(Br)c2)c[nH]1 O=C([O-])CS[*:1] Brc1cccc(c1)-c1c[nH]c(n1)[*:1]
Cc1nc2ccc(NC(=O)[C@H](C)Oc3ccc4c(c3)OCO4)cc2c(=O)n1-c1ccccc1 c1cc2OCOc2cc1O[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccccc1)NC(=O)[C@H](C)[*:1]
Cc1nc2ccc(NC(=O)[C@H](C)Oc3ccc4c(c3)OCO4)cc2c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2ccc(cc2c(=O)n1[*:1])NC(=O)[C@H](C)Oc1ccc2OCOc2c1
Cc1nc2ccc(NC(=O)[C@H](C)Oc3ccc4c(c3)OCO4)cc2c(=O)n1-c1ccccc1 c1cc2OCOc2cc1[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccccc1)NC(=O)[C@H](C)O[*:1]
Cc1cccc(-c2[nH]ncc2C[NH+](CCO)CC2CC2)c1 C1CC1[*:1] Cc1cccc(c1)-c1[nH]ncc1C[NH+](CCO)C[*:1]
Cc1cccc(-c2[nH]ncc2C[NH+](CCO)CC2CC2)c1 OCC[*:1] Cc1cccc(c1)-c1[nH]ncc1C[NH+](CC1CC1)[*:1]
Cc1cccc(-c2[nH]ncc2C[NH+](CCO)CC2CC2)c1 C1CC1C[*:1] Cc1cccc(c1)-c1[nH]ncc1C[NH+](CCO)[*:1]
Cc1cccc(-c2[nH]ncc2C[NH+](CCO)CC2CC2)c1 Cc1cccc(c1)[*:1] OCC[NH+](Cc1cn[nH]c1[*:1])CC1CC1
CCc1ccc(-n2nc(CO)c(C(=O)NCc3cccc(OC)c3)n2)cc1 CCc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)c1nn(nc1CO)[*:1]
CCc1ccc(-n2nc(CO)c(C(=O)NCc3cccc(OC)c3)n2)cc1 COc1cccc(c1)[*:1] CCc1ccc(cc1)-n1nc(CO)c(n1)C(=O)NC[*:1]
CCc1ccc(-n2nc(CO)c(C(=O)NCc3cccc(OC)c3)n2)cc1 COc1cccc(c1)C[*:1] CCc1ccc(cc1)-n1nc(CO)c(n1)C(=O)N[*:1]
FC(F)COc1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 FC(F)C[*:1] c1cc(ccc1CN1CC[NH+](CC1)C[C@H]1CCOC1)O[*:1]
FC(F)COc1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 FC(F)[*:1] c1cc(ccc1CN1CC[NH+](CC1)C[C@H]1CCOC1)OC[*:1]
FC(F)COc1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 FC(F)CO[*:1] c1cc(ccc1CN1CC[NH+](CC1)C[C@H]1CCOC1)[*:1]
C[C@@H](N[C@@H]1CCCc2nc(-c3ccccc3)sc21)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@@H](N[C@@H]1CCCc2nc(sc21)-c1ccccc1)[*:1]
C[C@@H](N[C@@H]1CCCc2nc(-c3ccccc3)sc21)C(=O)N1CCOCC1 c1ccc(cc1)[*:1] C[C@@H](N[C@@H]1CCCc2nc(sc21)[*:1])C(=O)N1CCOCC1
C=CCS(=O)(=O)/N=C(\[O-])c1sc([C@@H](C)OC)nc1C C=CC[*:1] CO[C@H](C)c1nc(C)c(s1)/C([O-])=N/S(=O)(=O)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1sc([C@@H](C)OC)nc1C CO[C@H](C)[*:1] C=CCS(=O)(=O)/N=C(\[O-])c1sc(nc1C)[*:1]
C[NH+]1CCC(CCNC(=O)NC2(c3cccc(Cl)c3)CC2)CC1 Clc1cccc(c1)[*:1] C[NH+]1CCC(CCNC(=O)NC2(CC2)[*:1])CC1
COc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(NCC(=O)N1CCC(CC1)C[*:1])c1ccccc1F
COc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)CCC1CCN(CC1)C(=O)CNC(=O)[*:1]
COc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC(=O)N1CCC(CC1)CC[*:1])c1ccccc1F
O=C(CC1(O)CCCCC1)Nc1ccccc1OCc1cscn1 OC1(CCCCC1)[*:1] O=C(C[*:1])Nc1ccccc1OCc1cscn1
O=C(CC1(O)CCCCC1)Nc1ccccc1OCc1cscn1 c1nc(cs1)[*:1] O=C(CC1(O)CCCCC1)Nc1ccccc1OC[*:1]
O=C(CC1(O)CCCCC1)Nc1ccccc1OCc1cscn1 c1nc(cs1)C[*:1] O=C(CC1(O)CCCCC1)Nc1ccccc1O[*:1]
O=C(CC1(O)CCCCC1)Nc1ccccc1OCc1cscn1 OC1(CCCCC1)C[*:1] O=C(Nc1ccccc1OCc1cscn1)[*:1]
O=C(CC1(O)CCCCC1)Nc1ccccc1OCc1cscn1 c1nc(cs1)CO[*:1] O=C(CC1(O)CCCCC1)Nc1ccccc1[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] COc1ccccc1C[C@@H](C)N(C)C(=O)[*:1]
CNC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCC2 Clc1cccc(c1)[*:1] CNC(=O)c1c(NC(=O)[*:1])sc2CCCc21
CNC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCC2 CNC(=O)[*:1] O=C(Nc1sc2CCCc2c1[*:1])c1cccc(Cl)c1
O=C([O-])C1=C(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CCCC1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2o1)C1CCCCC=1[*:1]
O=C([O-])C1=C(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CCCC1 c1ccc2oc(nc2c1)[*:1] O=C([O-])C1CCCCC=1C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(CC(=O)OC[C@H]2CC(=O)N(C3CC3)C2)s1 Cc1ccc(s1)[*:1] O=C(C[*:1])OC[C@H]1CC(=O)N(C1)C1CC1
Cc1ccc(CC(=O)OC[C@H]2CC(=O)N(C3CC3)C2)s1 C1CC1[*:1] Cc1ccc(CC(=O)OC[C@H]2CC(=O)N(C2)[*:1])s1
CC(C)CC1(CCOC(C)C)C[NH2+]C1 CC(C)[*:1] CC(C)CC1(CCO[*:1])C[NH2+]C1
CC(C)CC1(CCOC(C)C)C[NH2+]C1 CC(C)[*:1] CC(C)OCCC1(C[NH2+]C1)C[*:1]
CC(C)CC1(CCOC(C)C)C[NH2+]C1 CC(C)C[*:1] CC(C)OCCC1(C[NH2+]C1)[*:1]
CC(C)CC1(CCOC(C)C)C[NH2+]C1 CC(C)O[*:1] CC(C)CC1(CC[*:1])C[NH2+]C1
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](CO)c3ccco3)cc2F)n1 Cc1cc(C)n(n1)[*:1] O=C(N[C@@H](CO)c1ccco1)c1ccc(c(F)c1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](CO)c3ccco3)cc2F)n1 c1coc(c1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)C(=O)N[C@@H](CO)[*:1]
C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(F)cc(F)c1 c1csc(c1)[*:1] C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)[*:1])c1cc(F)cc(F)c1
CSCc1ccc(C(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)o1 O=C([O-])[*:1] CSCc1ccc(o1)C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CSCc1ccc(C(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)o1 CSC[*:1] O=C(N[C@H]1C=C[C@H](C1)C(=O)[O-])c1ccc(o1)[*:1]
C[C@H](Oc1cccc(C=O)c1)C(=O)NCc1ccccc1-n1ccnc1 O=Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)NCc1ccccc1-n1ccnc1
C[C@H](Oc1cccc(C=O)c1)C(=O)NCc1ccccc1-n1ccnc1 c1cn(cn1)[*:1] C[C@H](Oc1cccc(C=O)c1)C(=O)NCc1ccccc1[*:1]
Cc1cccc(NC(=O)O[C@@H](C)c2sc3ncnn3c2C)c1 Cc1cccc(c1)[*:1] Cc1c(sc2ncnn12)[C@H](C)OC(=O)N[*:1]
Cc1ccc(C(=O)N2N=C(CC(C)C)C[C@@]2(O)C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] CC(C)CC1C[C@](O)(N(N=1)C(=O)[*:1])C(F)(F)F
Cc1ccc(C(=O)N2N=C(CC(C)C)C[C@@]2(O)C(F)(F)F)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N1N=C(C[C@@]1(O)C(F)(F)F)C[*:1]
Cc1ccc(C(=O)N2N=C(CC(C)C)C[C@@]2(O)C(F)(F)F)cc1 CC(C)C[*:1] Cc1ccc(cc1)C(=O)N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
Cc1ccc(C(=O)N2N=C(CC(C)C)C[C@@]2(O)C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(=O)N1N=C(CC(C)C)C[C@]1(O)[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCC[C@@H](C)O)C2 C[C@@H](O)C[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NC[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCC[C@@H](C)O)C2 C[C@@H](O)CC[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCC[C@@H](C)O)C2 C[C@@H](O)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NCC[*:1]
COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 COc1ccc(cc1)C[*:1] CSc1ccc(cc1)[C@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)[*:1]
COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 CSc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2[*:1]
COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 COc1ccc(cc1)[*:1] CSc1ccc(cc1)[C@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)C[*:1]
COc1ccc(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1cc(ccc1Cl)[*:1])C(=O)[O-]
COc1ccc(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl O=C([O-])[*:1] COc1ccc(cc1NC(=O)c1cc(ccc1Cl)[N+](=O)[O-])[*:1]
COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC CC(=O)Nc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1cnn2c1N=C(O)C[C@H]2C(=O)N[*:1]
COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC COc1ccc(cc1OC)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@@H]1CC(O)=Nc2c(cnn21)[*:1]
COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC CC(=O)N[*:1] COc1ccc(cc1OC)-c1cnn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(cc1)[*:1]
CCCc1c(C[NH2+]C)cnn1-c1cccc(Br)c1 CCC[*:1] C[NH2+]Cc1cnn(-c2cccc(Br)c2)c1[*:1]
Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](CC(=O)N3CCOCC3)CC2)c1 O=C(N1CCOCC1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](c1ccccc1)N1CC[NH+](CC1)C[*:1]
Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](CC(=O)N3CCOCC3)CC2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](N1CC[NH+](CC1)CC(=O)N1CCOCC1)[*:1]
Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](CC(=O)N3CCOCC3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])[C@H](c1ccccc1)N1CC[NH+](CC1)CC(=O)N1CCOCC1
Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](CC(=O)N3CCOCC3)CC2)c1 Cc1cc(C)cc(c1)NC(=O)[*:1] O=C(C[NH+]1CCN(CC1)[C@@H](c1ccccc1)[*:1])N1CCOCC1
CC[C@@H](C#N)N1CCN(c2cncc(C(=O)OC)n2)CC1 CC[C@@H](C#N)[*:1] COC(=O)c1cncc(n1)N1CCN(CC1)[*:1]
CC[C@@H](C#N)N1CCN(c2cncc(C(=O)OC)n2)CC1 COC(=O)[*:1] CC[C@@H](C#N)N1CCN(CC1)c1cncc(n1)[*:1]
Cc1nc(SCC(=O)Nc2sccc2C(N)=O)n(C2CCCCC2)c1C NC(=O)c1ccsc1[*:1] Cc1nc(SCC(=O)N[*:1])n(c1C)C1CCCCC1
Cc1nc(SCC(=O)Nc2sccc2C(N)=O)n(C2CCCCC2)c1C C1CCC(CC1)[*:1] Cc1nc(SCC(=O)Nc2sccc2C(N)=O)n(c1C)[*:1]
Cc1nc(SCC(=O)Nc2sccc2C(N)=O)n(C2CCCCC2)c1C NC(=O)[*:1] Cc1nc(SCC(=O)Nc2sccc2[*:1])n(c1C)C1CCCCC1
COCC(=O)N1CCN(C(=O)NC[C@H]2CCC(C)(C)c3ccccc32)CC1 COC[*:1] CC1(C)CC[C@H](CNC(=O)N2CCN(CC2)C(=O)[*:1])c2ccccc21
C#CCNC(=O)/C=C/c1cc(Br)ccc1OC C#CC[*:1] COc1ccc(Br)cc1/C=C/C(=O)N[*:1]
CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C(=O)[O-])cn1 CC[C@@H](C)[*:1] C[C@H](C[*:1])[NH2+]Cc1ccc(cn1)C(=O)[O-]
CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C(=O)[O-])cn1 CC[C@@H](C)C[*:1] C[C@@H]([NH2+]Cc1ccc(cn1)C(=O)[O-])[*:1]
CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C(=O)[O-])cn1 O=C([O-])[*:1] CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(cn1)[*:1]
N#Cc1ccc(Sc2nnc3ccccn23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#Cc1ccc(cc1[*:1])Sc1nnc2ccccn12
COc1ccc([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)c(OC)c1 FC(F)(F)[*:1] COc1ccc(c(c1)OC)[C@@H](C)N[C@H]1CCN(C[*:1])C1=O
COc1ccc([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)c(OC)c1 FC(F)(F)C[*:1] COc1ccc(c(c1)OC)[C@@H](C)N[C@H]1CCN(C1=O)[*:1]
Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c1 Cc1cc(C)cc(c1)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 FC(F)[*:1] CC[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(cc1)O[*:1]
CC[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 FC(F)O[*:1] CC[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(cc1)[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(Nc1cc(ccc1F)[N+](=O)[O-])c1ccccc1[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1N1CCCC1=O O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1F)[*:1])c1ccccc1N1CCCC1=O
Cc1cccc([C@@H](CC(F)(F)F)C(=O)[O-])c1 O=C([O-])[*:1] Cc1cccc(c1)[C@@H](CC(F)(F)F)[*:1]
Cc1cccc([C@@H](CC(F)(F)F)C(=O)[O-])c1 FC(F)(F)[*:1] Cc1cccc(c1)[C@@H](C[*:1])C(=O)[O-]
Cc1cccc([C@@H](CC(F)(F)F)C(=O)[O-])c1 FC(F)(F)C[*:1] Cc1cccc(c1)[C@@H](C(=O)[O-])[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(Cl)cc1Cl COCC[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(Cl)cc1Cl
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(Cl)cc1Cl C[C@H]1Cc2cc(ccc2O1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(Cl)cc1Cl
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3O[C@@H](C)Cc3c2)[C@H]1[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(Cl)cc1Cl COC[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccc(Cl)cc1Cl
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(Cl)cc1Cl COCCC[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(Cl)cc1Cl)[*:1]
CCCC[C@@H]1C[C@@H]1C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O CCCC[*:1] CC1(C)CC(=O)c2cnc(nc2C1)NC(=O)[C@H]1C[C@H]1[*:1]
CCCC[C@@H]1C[C@@H]1C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O CCC[*:1] CC1(C)CC(=O)c2cnc(nc2C1)NC(=O)[C@H]1C[C@H]1C[*:1]
C[C@@H](C#N)[C@@]1(O)CCO[C@H](C)C1 C[C@@H](C#N)[*:1] C[C@@H]1C[C@@](O)(CCO1)[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(Br)cc1 Clc1ccc(c(Cl)c1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1ccc(Br)cc1
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[*:1]
NC(=O)[C@@H]1COCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 NC(=O)[*:1] O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCOC[C@H]1[*:1]
Cc1cc2c(cc(C(=O)NC[C@H]3CCCO3)n2[C@H](C)c2ccccc2)s1 C1CO[C@H](C1)C[*:1] Cc1cc2c(cc(C(=O)N[*:1])n2[C@H](C)c2ccccc2)s1
Cc1cc2c(cc(C(=O)NC[C@H]3CCCO3)n2[C@H](C)c2ccccc2)s1 C1CO[C@H](C1)[*:1] Cc1cc2c(cc(C(=O)NC[*:1])n2[C@H](C)c2ccccc2)s1
Cc1cc2c(cc(C(=O)NC[C@H]3CCCO3)n2[C@H](C)c2ccccc2)s1 C[C@H](c1ccccc1)[*:1] Cc1cc2c(cc(C(=O)NC[C@H]3CCCO3)n2[*:1])s1
Cc1cc2c(cc(C(=O)NC[C@H]3CCCO3)n2[C@H](C)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cc2c(cc(C(=O)NC[C@H]3CCCO3)n2[C@H](C)[*:1])s1
N#Cc1ccc(NC(=O)C(=O)NCc2cn3ccsc3n2)cc1Cl c1cn2cc(nc2s1)[*:1] N#Cc1ccc(cc1Cl)NC(=O)C(=O)NC[*:1]
CC(C)c1ccc(NC(=O)[C@@H](C)[S@@](=O)C/C=C/c2ccccc2)cc1 C(=C[*:1])c1ccccc1 CC(C)c1ccc(cc1)NC(=O)[C@@H](C)[S@@](=O)C[*:1]
CC(C)c1ccc(NC(=O)[C@@H](C)[S@@](=O)C/C=C/c2ccccc2)cc1 CC(C)[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])[S@@](=O)C/C=C/c1ccccc1
CC(C)c1ccc(NC(=O)[C@@H](C)[S@@](=O)C/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)[C@@H](C)[S@@](=O)CC=C[*:1]
C[C@](O)(CCC[C@H]1CCCO1)c1cc(F)cc(F)c1 C1CO[C@H](C1)[*:1] C[C@](O)(CCC[*:1])c1cc(F)cc(F)c1
C[C@](O)(CCC[C@H]1CCCO1)c1cc(F)cc(F)c1 C1CO[C@H](C1)C[*:1] C[C@](O)(CC[*:1])c1cc(F)cc(F)c1
CN(C(=O)c1cnn(-c2ccccc2)c1)c1ccc(Br)cn1 Brc1ccc(nc1)[*:1] CN(C(=O)c1cnn(c1)-c1ccccc1)[*:1]
CN(C(=O)c1cnn(-c2ccccc2)c1)c1ccc(Br)cn1 c1ccc(cc1)[*:1] CN(C(=O)c1cnn(c1)[*:1])c1ccc(Br)cn1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O Fc1ccc(cc1)[*:1] CCCC[C@]1(NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3OCCOc3c2)C1=O)[*:1]
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O c1cc2OCCOc2cc1[*:1] CCCC[C@]1(NC(=O)N(CC(=O)N2CCC[C@@H]2[*:1])C1=O)c1ccc(F)cc1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O CCC[*:1] O=C1N[C@](C[*:1])(C(=O)N1CC(=O)N1CCC[C@H]1c1ccc2OCCOc2c1)c1ccc(F)cc1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O CCCC[*:1] O=C1N[C@@](C(=O)N1CC(=O)N1CCC[C@H]1c1ccc2OCCOc2c1)(c1ccc(F)cc1)[*:1]
CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccncc4)nc3c2[C@@H]1c1ccco1 c1cc(ccn1)[*:1] CCOC(=O)C1=C(C)Oc2ncn3nc(nc3c2[C@@H]1c1ccco1)[*:1]
CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccncc4)nc3c2[C@@H]1c1ccco1 CCOC(=O)[*:1] CC1Oc2ncn3nc(nc3c2[C@@H](C=1[*:1])c1ccco1)-c1ccncc1
CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccncc4)nc3c2[C@@H]1c1ccco1 c1coc(c1)[*:1] CCOC(=O)C1=C(C)Oc2ncn3nc(nc3c2[C@H]1[*:1])-c1ccncc1
C=CCn1c(-c2ccc3ccccc3n2)nn(C)c1=S C=CC[*:1] Cn1nc(-c2ccc3ccccc3n2)n(c1=S)[*:1]
O=C(Cc1c(F)cccc1Cl)N[C@H]1CCS(=O)(=O)c2ccccc21 Fc1cccc(Cl)c1[*:1] O=C(C[*:1])N[C@H]1CCS(=O)(=O)c2ccccc21
C=CC[NH2+][C@@H](C(=O)[O-])c1ccc(CC(C)C)cc1 O=C([O-])[*:1] C=CC[NH2+][C@@H](c1ccc(cc1)CC(C)C)[*:1]
C=CC[NH2+][C@@H](C(=O)[O-])c1ccc(CC(C)C)cc1 CC(C)C[*:1] C=CC[NH2+][C@@H](C(=O)[O-])c1ccc(cc1)[*:1]
C=CC[NH2+][C@@H](C(=O)[O-])c1ccc(CC(C)C)cc1 CC(C)[*:1] C=CC[NH2+][C@@H](C(=O)[O-])c1ccc(cc1)C[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)NC[C@@](C)(O)C(=O)[O-] O=C([O-])[*:1] Cc1noc(C)c1[C@H](C)NC(=O)NC[C@@](C)(O)[*:1]
COc1ccc(-c2nnc(S[C@@H](C)c3ccc(F)cc3)o2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nnc(o1)S[C@@H](C)[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)NCc2cn(C)nc2CC)C1 CCCCNC(=O)[*:1] CCc1nn(C)cc1CNC(=O)N1CCC[C@@H](C1)[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)NCc2cn(C)nc2CC)C1 CCCC[*:1] CCc1nn(C)cc1CNC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)NCc2cn(C)nc2CC)C1 CCc1nn(C)cc1[*:1] CCCCNC(=O)[C@H]1CCCN(C1)C(=O)NC[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)NCc2cn(C)nc2CC)C1 CCC[*:1] CCc1nn(C)cc1CNC(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
COCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 COCCNC(=O)C[*:1] O=C(Nc1cccc(Cl)c1)N1CCC(CC1)[*:1]
COCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 COCC[*:1] O=C(CC1CCN(CC1)C(=O)Nc1cccc(Cl)c1)N[*:1]
COCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COCCNC(=O)CC1CCN(CC1)C(=O)N[*:1]
COCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 COC[*:1] O=C(CC1CCN(CC1)C(=O)Nc1cccc(Cl)c1)NC[*:1]
COCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 COCCNC(=O)[*:1] O=C(Nc1cccc(Cl)c1)N1CCC(CC1)C[*:1]
CC(C)[C@@H](NCc1nncn1C1CC1)c1c(Cl)cccc1Cl C1CC1[*:1] CC(C)[C@@H](NCc1nncn1[*:1])c1c(Cl)cccc1Cl
CC(C)[C@@H](NCc1nncn1C1CC1)c1c(Cl)cccc1Cl CC(C)[*:1] Clc1cccc(Cl)c1[C@H](NCc1nncn1C1CC1)[*:1]
C[C@@H]1C[C@@H](Nc2cc(S(C)(=O)=O)ccc2F)CS1 CS(=O)(=O)[*:1] C[C@@H]1C[C@H](CS1)Nc1cc(ccc1F)[*:1]
COc1ccc(S(=O)(=O)NCC2[NH+]=c3ccccc3=[NH+]2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)NCC1[NH+]=c2ccccc2=[NH+]1
CCOC(=O)CC[NH+](C)Cc1ccccn1 CCOC(=O)[*:1] C[NH+](CC[*:1])Cc1ccccn1
CCC(CC)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 CCC(CC)[*:1] C1=CC[C@H](CC1)C[NH+]1CCN(CC1)[*:1]
C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1[*:1]
C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)cc1Cl C=CCOC(=O)[*:1] CC1N=C2SCCC(=O)N2[C@@H](C=1[*:1])c1ccc(Cl)cc1Cl
C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)cc1Cl C=CC[*:1] CC1N=C2SCCC(=O)N2[C@@H](C=1C(=O)O[*:1])c1ccc(Cl)cc1Cl
CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCC[C@@H](C)CC2)C1 c1ccc(cc1)[*:1] CCOC(=O)C1C[C@@H](C(=O)N2CCC[C@@H](C)CC2)N(N=1)[*:1]
CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 CC[C@@H](C)[*:1] CC(C)(C)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 CC[C@@H](C)NC(=O)[*:1] CC(C)(C)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(CSc2ccccc2C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)on1 Cc1cc(on1)[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C(C)(C)CNC(=O)c1ccccc1SC[*:1]
Cc1cc(CSc2ccccc2C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)on1 Cc1cc(CS[*:1])on1 C[C@H]1C[C@H](C)C[NH+](C1)C(C)(C)CNC(=O)c1ccccc1[*:1]
Cc1cc(CSc2ccccc2C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)on1 Cc1cc(C[*:1])on1 C[C@H]1C[C@H](C)C[NH+](C1)C(C)(C)CNC(=O)c1ccccc1S[*:1]
C[S@](=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCCO2)cc1F C1CC[C@H](C[*:1])OC1 C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)N[*:1]
C[S@](=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCCO2)cc1F C1CC[C@@H](OC1)[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)NC[*:1]
C[S@](=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCCO2)cc1F C[S@](=O)[*:1] O=C(NC[C@H]1CCCCO1)C(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C1)C(=O)N1CC[C@@H](C1)[NH+]1CCCC1
CCc1ccc(Nc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)s2)cc1 CCc1ccc(cc1)N[*:1] O=C1CN(C(=O)CSc2nnc(s2)[*:1])c2ccccc2N1
CCc1ccc(Nc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)s2)cc1 CCc1ccc(cc1)[*:1] O=C1CN(C(=O)CSc2nnc(N[*:1])s2)c2ccccc2N1
O=C(Cn1ccnc1)NC1CC[NH+](CC2(c3ccccc3F)CCCC2)CC1 O=C(Cn1ccnc1)N[*:1] Fc1ccccc1C1(CCCC1)C[NH+]1CCC(CC1)[*:1]
O=C(Cn1ccnc1)NC1CC[NH+](CC2(c3ccccc3F)CCCC2)CC1 c1cn(cn1)[*:1] O=C(C[*:1])NC1CC[NH+](CC1)CC1(CCCC1)c1ccccc1F
O=C(Cn1ccnc1)NC1CC[NH+](CC2(c3ccccc3F)CCCC2)CC1 c1cn(cn1)C[*:1] O=C(NC1CC[NH+](CC1)CC1(CCCC1)c1ccccc1F)[*:1]
O=C(Cn1ccnc1)NC1CC[NH+](CC2(c3ccccc3F)CCCC2)CC1 Fc1ccccc1[*:1] O=C(Cn1ccnc1)NC1CC[NH+](CC1)CC1(CCCC1)[*:1]
N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[*:1]
N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 Fc1ccc(cc1)[*:1] N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](N1CCOCC1)[*:1]
N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 N#Cc1ccccc1[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N[*:1]
COC(=O)N1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)CC1 Clc1ccccc1[*:1] COC(=O)N1CCN(CC1)C(=O)c1c[nH]nc1[*:1]
Cc1cnc(C(C)(C)NC(=O)NCCOc2cccnc2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)NCCOc1cccnc1)[*:1]
Cc1cnc(C(C)(C)NC(=O)NCCOc2cccnc2)s1 c1cncc(c1)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NCCO[*:1]
Cc1cnc(C(C)(C)NC(=O)NCCOc2cccnc2)s1 c1cncc(c1)O[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NCC[*:1]
CCC[NH2+][C@H](Cc1cc(F)cc(F)c1)c1cscc1Br CCC[*:1] Fc1cc(F)cc(c1)C[C@@H]([NH2+][*:1])c1cscc1Br
CCC[NH2+][C@H](Cc1cc(F)cc(F)c1)c1cscc1Br Brc1cscc1[*:1] CCC[NH2+][C@H](Cc1cc(F)cc(F)c1)[*:1]
COc1ccc([C@H]([C@@H](C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@H]([C@@H](C(=O)[*:1])N1CCOCC1)N1CCOCC1
COc1ccc([C@H]([C@@H](C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccco1)[C@H]([C@H](N1CCOCC1)[*:1])N1CCOCC1
COc1ccc([C@H]([C@@H](C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1 O=C(c1ccco1)[*:1] COc1ccc(cc1)[C@H]([C@@H](N1CCOCC1)[*:1])N1CCOCC1
COc1ccc([C@H]([C@@H](C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H]([C@@H](C(=O)c1ccco1)N1CCOCC1)[*:1]
COc1ccc([C@H]([C@@H](C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H]([C@@H](C(=O)c1ccco1)[*:1])N1CCOCC1
CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1OC COc1ccccc1[*:1] CCCNC(=O)[C@@H]1CN(C[C@H]1[*:1])S(=O)(=O)c1ccccc1
CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1OC CCC[*:1] COc1ccccc1[C@H]1CN(C[C@H]1C(=O)N[*:1])S(=O)(=O)c1ccccc1
CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1OC CCCNC(=O)[*:1] COc1ccccc1[C@H]1CN(C[C@H]1[*:1])S(=O)(=O)c1ccccc1
CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1OC c1ccc(cc1)[*:1] CCCNC(=O)[C@@H]1CN(C[C@@H]1c1ccccc1OC)S(=O)(=O)[*:1]
COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 COc1ccccc1[*:1] C[C@@H](Sc1nncn1[*:1])C(=O)Nc1sc2CCCCCc2c1C#N
CCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1 CCC(=O)N[*:1] Cc1ccc(cc1F)N1C(=O)CS[C@H]1c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1 Cc1ccc(cc1F)[*:1] CCC(=O)Nc1ccc(cc1)[C@@H]1SCC(=O)N1[*:1]
CC(C)[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1 c1coc(c1)[*:1] CC(C)[C@H](NC(=O)Nc1ccc(NC(=O)[*:1])c(Cl)c1)c1ccccc1
CC(C)[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1 CC(C)[*:1] O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)N[C@H](c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1 O=C(N[*:1])c1ccco1 CC(C)[C@H](NC(=O)Nc1ccc(c(Cl)c1)[*:1])c1ccccc1
CC(C)[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)[*:1]
COC(=O)c1sc2nc(C)nc(-n3ccnc3)c2c1C c1cn(cn1)[*:1] COC(=O)c1sc2nc(C)nc(c2c1C)[*:1]
COC(=O)c1sc2nc(C)nc(-n3ccnc3)c2c1C COC(=O)[*:1] Cc1nc(c2c(C)c(sc2n1)[*:1])-n1ccnc1
C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)N[*:1]
COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] COC(=O)COc1cc(nc2ccc(cc12)[*:1])-c1ccc(C)cc1
COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N+](=O)[O-])cc12 Cc1ccc(cc1)[*:1] COC(=O)COc1cc(nc2ccc(cc12)[N+](=O)[O-])[*:1]
COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N+](=O)[O-])cc12 COC(=O)CO[*:1] Cc1ccc(cc1)-c1cc(c2cc(ccc2n1)[N+](=O)[O-])[*:1]
COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N+](=O)[O-])cc12 COC(=O)[*:1] Cc1ccc(cc1)-c1cc(OC[*:1])c2cc(ccc2n1)[N+](=O)[O-]
COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N+](=O)[O-])cc12 COC(=O)C[*:1] Cc1ccc(cc1)-c1cc(O[*:1])c2cc(ccc2n1)[N+](=O)[O-]
CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@H](C)SC)CC2)cs1 CCO[*:1] CS[C@@H](C)C(=O)N1CCN(CC1)Cc1csc(n1)[C@@H](C)[*:1]
CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@H](C)SC)CC2)cs1 CCO[C@H](C)[*:1] CS[C@@H](C)C(=O)N1CCN(CC1)Cc1csc(n1)[*:1]
CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@H](C)SC)CC2)cs1 CS[C@@H](C)[*:1] CCO[C@H](C)c1nc(cs1)CN1CCN(CC1)C(=O)[*:1]
CC(C)n1cc(-c2nc(C(=O)NN)cs2)c(=O)n(Cc2ccccc2)c1=O NNC(=O)c1csc(n1)[*:1] CC(C)n1cc(c(=O)n(Cc2ccccc2)c1=O)[*:1]
CC(C)n1cc(-c2nc(C(=O)NN)cs2)c(=O)n(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] CC(C)n1cc(-c2nc(cs2)C(=O)NN)c(=O)n(c1=O)[*:1]
CC(C)n1cc(-c2nc(C(=O)NN)cs2)c(=O)n(Cc2ccccc2)c1=O CC(C)[*:1] NNC(=O)c1csc(n1)-c1cn(c(=O)n(Cc2ccccc2)c1=O)[*:1]
CC(C)n1cc(-c2nc(C(=O)NN)cs2)c(=O)n(Cc2ccccc2)c1=O NNC(=O)[*:1] CC(C)n1cc(-c2nc(cs2)[*:1])c(=O)n(Cc2ccccc2)c1=O
CC(C)n1cc(-c2nc(C(=O)NN)cs2)c(=O)n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] CC(C)n1cc(-c2nc(cs2)C(=O)NN)c(=O)n(C[*:1])c1=O
CSc1nccnc1CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CSc1nccnc1CO[C@@H]1CCCN(C1)C(=O)O[*:1]
CCOC(=O)[C@H](C)Oc1cccc2c(=O)[nH]ccc12 CCOC(=O)[*:1] C[C@H](Oc1cccc2c(=O)[nH]ccc12)[*:1]
COCCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2C1=O COCC[*:1] C[C@H](NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])c1ccccc1
COCCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2C1=O COC[*:1] C[C@H](NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1)c1ccccc1
COCCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2C1=O c1ccc(cc1)[*:1] COCCN1C(=O)c2ccc(cc2C1=O)C(=O)N[C@@H](C)[*:1]
COCCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2C1=O C[C@@H](c1ccccc1)[*:1] COCCN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
O=C(CC1CC1)c1scc(Br)c1Br C1CC1C[*:1] O=C(c1scc(Br)c1Br)[*:1]
O=C(CC1CC1)c1scc(Br)c1Br C1CC1[*:1] O=C(C[*:1])c1scc(Br)c1Br
CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)[*:1]
CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)[O-] C[C@H](NC(=O)[*:1])C(=O)[O-] CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)[*:1]
CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)[O-] CC(C)[*:1] C[C@H](NC(=O)[C@H](C[*:1])NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-]
CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)[O-] CC(C)C[*:1] C[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)[*:1])C(=O)[O-]
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)C(C)C COC(=O)[*:1] CC(C)S(=O)(=O)[C@H](C)[C@H](C)[*:1]
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)C(C)C CC(C)[*:1] COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[*:1]
Nc1c(Nc2ccc(I)cc2)ncnc1Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Nc1c(ncnc1Nc1ccc(cc1)[*:1])Nc1ccc(I)cc1
Nc1c(Nc2ccc(I)cc2)ncnc1Nc1ccc(C(=O)[O-])cc1 Ic1ccc(cc1)N[*:1] Nc1c(ncnc1[*:1])Nc1ccc(cc1)C(=O)[O-]
Nc1c(Nc2ccc(I)cc2)ncnc1Nc1ccc(C(=O)[O-])cc1 Ic1ccc(cc1)[*:1] Nc1c(ncnc1N[*:1])Nc1ccc(cc1)C(=O)[O-]
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CO[*:1]
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C[*:1]
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)COc1ccc(Cl)cc1 CCOC(=O)[*:1] O=C(COc1ccc(Cl)cc1)Nc1c([nH]c2ccccc12)[*:1]
C=CCN(Cc1csc(COc2ccc(C)cc2)n1)C(C)=O C=CCN(C(C)=O)[*:1] Cc1ccc(cc1)OCc1nc(cs1)C[*:1]
C=CCN(Cc1csc(COc2ccc(C)cc2)n1)C(C)=O C=CC[*:1] CC(=O)N(Cc1csc(COc2ccc(C)cc2)n1)[*:1]
C=CCN(Cc1csc(COc2ccc(C)cc2)n1)C(C)=O Cc1ccc(cc1)[*:1] C=CCN(Cc1csc(CO[*:1])n1)C(C)=O
Cn1c(CC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] Cn1c(CC(=O)NNC(=O)CCS(=O)(=O)[*:1])nc2ccccc21
Cn1c(CC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)nc2ccccc21 O=S(=O)(c1ccccc1)[*:1] Cn1c(CC(=O)NNC(=O)CC[*:1])nc2ccccc21
O=C1c2ccccc2C(=O)N1CCSc1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] O=C1c2ccccc2C(=O)N1CCS[*:1]
Cc1nc2c(C(=O)NCc3ccc(Cl)cc3)cnn2c(C)c1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nc2c(cnn2c(C)c1Cc1ccc(Cl)cc1)C(=O)NC[*:1]
Cc1nc2c(C(=O)NCc3ccc(Cl)cc3)cnn2c(C)c1Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1nc2c(cnn2c(C)c1Cc1ccc(Cl)cc1)C(=O)N[*:1]
Cc1nc2c(C(=O)NCc3ccc(Cl)cc3)cnn2c(C)c1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nc2c(cnn2c(C)c1C[*:1])C(=O)NCc1ccc(Cl)cc1
Cc1nc2c(C(=O)NCc3ccc(Cl)cc3)cnn2c(C)c1Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1nc2c(cnn2c(C)c1[*:1])C(=O)NCc1ccc(Cl)cc1
COC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(OC)c2)cn1C COC(=O)[*:1] COc1cccc(c1)CN(C)S(=O)(=O)c1cc(n(C)c1)[*:1]
COC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(OC)c2)cn1C COc1cccc(c1)[*:1] COC(=O)c1cc(cn1C)S(=O)(=O)N(C)C[*:1]
CCCOc1ccc(CNC(=O)c2ccc3ncccc3c2)cc1 CCC[*:1] O=C(NCc1ccc(cc1)O[*:1])c1ccc2ncccc2c1
CCCOc1ccc(CNC(=O)c2ccc3ncccc3c2)cc1 CCCO[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc2ncccc2c1
CC(C)(CNC(=O)c1cccc(C[NH+]2CCCC2)c1)NS(C)(=O)=O CS(=O)(=O)N[*:1] CC(C)(CNC(=O)c1cccc(c1)C[NH+]1CCCC1)[*:1]
CC(C)(CNC(=O)c1cccc(C[NH+]2CCCC2)c1)NS(C)(=O)=O CC(C)(NS(C)(=O)=O)[*:1] O=C(NC[*:1])c1cccc(c1)C[NH+]1CCCC1
O=C(CNc1cccc(C(F)(F)F)c1)NCc1ccco1 FC(F)(F)[*:1] O=C(CNc1cccc(c1)[*:1])NCc1ccco1
O=C(CNc1cccc(C(F)(F)F)c1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CNc1cccc(c1)C(F)(F)F)N[*:1]
O=C(CNc1cccc(C(F)(F)F)c1)NCc1ccco1 c1coc(c1)[*:1] O=C(CNc1cccc(c1)C(F)(F)F)NC[*:1]
COc1cc(F)cc(C[NH2+]Cc2cccnc2)c1 c1cncc(c1)[*:1] COc1cc(F)cc(c1)C[NH2+]C[*:1]
CCCn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(S(N)(=O)=O)ccc21 CCC[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)c1cccc(c1)N1C(=O)CCC1=O)n2[*:1]
CCCn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(S(N)(=O)=O)ccc21 O=C1CCC(=O)N1[*:1] CCCn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2cc(ccc21)S(N)(=O)=O
CCCn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CCCn1/c(=N/C(=O)c2cccc(c2)N2C(=O)CCC2=O)sc2cc(ccc21)[*:1]
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cc2cc(F)ccc2[nH]1 O=C(N[*:1])c1ccccc1 Cc1ccc(cc1NC(=O)c1cc2cc(F)ccc2[nH]1)[*:1]
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cc2cc(F)ccc2[nH]1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)c1cc2cc(F)ccc2[nH]1)NC(=O)[*:1]
COc1cc([C@@H]2C(N)=NC(=O)N2C(C)C)ccc1O CC(C)[*:1] COc1cc(ccc1O)[C@@H]1C(N)=NC(=O)N1[*:1]
O=C1[C@@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=S)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1[C@@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=S)N1[*:1]
O=C1[C@@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=S)N1c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C1[C@@H]2CS[C@H](N2C(=S)N1c1ccc(F)cc1)[*:1]
CCN(C(=O)[C@H](C)Sc1nnnn1-c1ccc(C)cc1C)C1CCCCC1 Cc1ccc(c(C)c1)[*:1] CCN(C(=O)[C@H](C)Sc1nnnn1[*:1])C1CCCCC1
CCN(C(=O)[C@H](C)Sc1nnnn1-c1ccc(C)cc1C)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)[C@H](C)Sc1nnnn1-c1ccc(C)cc1C)[*:1]
CC(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 CC(C)C[NH2+]C[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)[*:1]
CC(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 CC(C)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)C[NH2+]C[*:1]
CC(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 CC(C)C[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)C[NH2+][*:1]
COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1OC COc1cccc(c1OC)[*:1] Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)NC(=O)N[*:1]
CCOc1c(Br)cc(/C=C2/SC(=S)N=C2[O-])cc1OC CCO[*:1] COc1cc(/C=C2/SC(=S)N=C2[O-])cc(Br)c1[*:1]
COCc1nc(C)cc(Sc2cccs2)n1 c1csc(c1)[*:1] COCc1nc(C)cc(n1)S[*:1]
COCc1nc(C)cc(Sc2cccs2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])Sc1cccs1
Cn1ccc(N[C@H](CC#N)c2ccccc2)n1 N#CC[*:1] Cn1ccc(n1)N[C@H](c1ccccc1)[*:1]
COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C(N)=O)cc2)c(OC)c1 NC(=O)c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1S(=O)(=O)[*:1]
COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C(N)=O)cc2)c(OC)c1 NC(=O)[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)[*:1]
CC[C@H](NC(=O)[C@@H](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] CC[C@H](NC(=O)[C@@H](C)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)[C@@H](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)[C@@H](C)Cc1ccccc1)c1cccc(c1)[*:1]
CC[C@H](NC(=O)[C@@H](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)[C@@H](C)C[*:1])c1cccc(c1)[N+](=O)[O-]
Cc1nc(SCCS(C)(=O)=O)c2ccccc2n1 CS(=O)(=O)C[*:1] Cc1nc(SC[*:1])c2ccccc2n1
Cc1nc(SCCS(C)(=O)=O)c2ccccc2n1 CS(=O)(=O)CC[*:1] Cc1nc(S[*:1])c2ccccc2n1
Cc1nc(SCCS(C)(=O)=O)c2ccccc2n1 CS(=O)(=O)[*:1] Cc1nc(SCC[*:1])c2ccccc2n1
COc1ccccc1C(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] COc1ccccc1C(=O)NC1CCN(CC1)C(=O)N[*:1]
COc1ccccc1C(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1 COc1ccccc1[*:1] O=C(Nc1cccc(F)c1)N1CCC(CC1)NC(=O)[*:1]
CN(C)c1ccc2nc([C@H]([NH3+])CO)[nH]c2n1 CN(C)[*:1] [NH3+][C@H](CO)c1nc2ccc(nc2[nH]1)[*:1]
FC(F)(F)c1nc(NCc2ccccc2)c2cn[nH]c2n1 FC(F)(F)[*:1] c1ccc(cc1)CNc1nc(nc2[nH]ncc12)[*:1]
FC(F)(F)c1nc(NCc2ccccc2)c2cn[nH]c2n1 c1ccc(cc1)C[*:1] FC(F)(F)c1nc(N[*:1])c2cn[nH]c2n1
FC(F)(F)c1nc(NCc2ccccc2)c2cn[nH]c2n1 c1ccc(cc1)[*:1] FC(F)(F)c1nc(NC[*:1])c2cn[nH]c2n1
C#CCOc1ccccc1/C=C(\C#N)C(=O)[O-] C#CCO[*:1] N#C/C(=C\c1ccccc1[*:1])C(=O)[O-]
C#CCOc1ccccc1/C=C(\C#N)C(=O)[O-] C#CC[*:1] N#C/C(=C\c1ccccc1O[*:1])C(=O)[O-]
C#CCOc1ccccc1/C=C(\C#N)C(=O)[O-] O=C([O-])[*:1] C#CCOc1ccccc1C=C(C#N)[*:1]
O=C1CC[C@H](C(=O)Nc2ccc(F)c(-n3cccc3)c2)CN1 c1ccn(c1)[*:1] O=C1CC[C@@H](CN1)C(=O)Nc1ccc(F)c(c1)[*:1]
Cc1ccc(-c2nnn(CC(=O)N3CCCC3(C)C)n2)cc1 Cc1ccc(cc1)[*:1] CC1(C)CCCN1C(=O)Cn1nnc(n1)[*:1]
CC(C)N(Cc1cc(F)ccc1[N+](=O)[O-])CC(F)(F)F FC(F)(F)C[*:1] CC(C)N(Cc1cc(F)ccc1[N+](=O)[O-])[*:1]
CC(C)N(Cc1cc(F)ccc1[N+](=O)[O-])CC(F)(F)F CC(C)[*:1] O=[N+]([O-])c1ccc(F)cc1CN(CC(F)(F)F)[*:1]
CC(C)N(Cc1cc(F)ccc1[N+](=O)[O-])CC(F)(F)F FC(F)(F)[*:1] CC(C)N(Cc1cc(F)ccc1[N+](=O)[O-])C[*:1]
CC(C)N(Cc1cc(F)ccc1[N+](=O)[O-])CC(F)(F)F O=[N+]([O-])[*:1] CC(C)N(Cc1cc(F)ccc1[*:1])CC(F)(F)F
C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)COc1cc(C(C)C)ccc1C CC(C)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)COc1cc(ccc1C)[*:1]
C[C@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](COC(=O)c1ccccc1)OC(=O)[*:1]
C[C@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](COC(=O)[*:1])OC(=O)c1ccccc1
Cc1nc(N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c2cc[nH]c2n1 O=C1CCCN1[*:1] Cc1nc(c2cc[nH]c2n1)N1C[C@@H](CC[*:1])c2ccccc21
Cc1nc(N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c2cc[nH]c2n1 O=C1CCCN1CC[*:1] Cc1nc(c2cc[nH]c2n1)N1C[C@@H](c2ccccc21)[*:1]
Cc1nc(N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c2cc[nH]c2n1 O=C1CCCN1C[*:1] Cc1nc(c2cc[nH]c2n1)N1C[C@@H](C[*:1])c2ccccc21
Cc1cncc(C(=O)OC[C@H]2CN(CC(C)C)CCO2)c1 Cc1cncc(c1)[*:1] CC(C)CN1CCO[C@@H](COC(=O)[*:1])C1
Cc1cncc(C(=O)OC[C@H]2CN(CC(C)C)CCO2)c1 CC(C)[*:1] Cc1cncc(c1)C(=O)OC[C@H]1CN(CCO1)C[*:1]
Cc1cncc(C(=O)OC[C@H]2CN(CC(C)C)CCO2)c1 CC(C)C[*:1] Cc1cncc(c1)C(=O)OC[C@H]1CN(CCO1)[*:1]
COc1ccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(C)c1C COc1ccc(c(C)c1C)[*:1] O=C(NCCc1nnc2CCN(CCn12)C[*:1])[C@@H]1CCCO1
C#CCNCC(=O)Nc1nnc(C2CC2)o1 C#CC[*:1] O=C(CN[*:1])Nc1nnc(o1)C1CC1
C#CCNCC(=O)Nc1nnc(C2CC2)o1 C#CCN[*:1] O=C(C[*:1])Nc1nnc(o1)C1CC1
C#CCNCC(=O)Nc1nnc(C2CC2)o1 C1CC1[*:1] C#CCNCC(=O)Nc1nnc(o1)[*:1]
C#CCNCC(=O)Nc1nnc(C2CC2)o1 C#CCNC[*:1] O=C(Nc1nnc(o1)C1CC1)[*:1]
[NH3+][C@@H]1CCC[C@H](Oc2ccccc2C(F)(F)F)C1 FC(F)(F)[*:1] [NH3+][C@@H]1CCC[C@@H](C1)Oc1ccccc1[*:1]
C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(cc1)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(cc1)O[*:1]
COc1ccc(OC)c([C@@H](c2c(NC(C)=O)sc3c2CCCC3)N2CCOCC2)c1 C1CN(CCO1)[*:1] COc1ccc(OC)c(c1)[C@@H](c1c(NC(C)=O)sc2CCCCc21)[*:1]
COc1ccc(OC)c([C@@H](c2c(NC(C)=O)sc3c2CCCC3)N2CCOCC2)c1 CC(=O)N[*:1] COc1ccc(OC)c(c1)[C@@H](c1c(sc2CCCCc21)[*:1])N1CCOCC1
COc1ccc(OC)c([C@@H](c2c(NC(C)=O)sc3c2CCCC3)N2CCOCC2)c1 COc1ccc(OC)c(c1)[*:1] CC(=O)Nc1sc2CCCCc2c1[C@@H](N1CCOCC1)[*:1]
C[C@H]1CCCN(C(=O)CN2CCO[C@H](CN(C)c3cccnn3)C2)C1 CN(c1cccnn1)[*:1] C[C@H]1CCCN(C1)C(=O)CN1CCO[C@@H](C1)C[*:1]
C[C@H]1CCCN(C(=O)CN2CCO[C@H](CN(C)c3cccnn3)C2)C1 c1cnnc(c1)[*:1] C[C@H]1CCCN(C1)C(=O)CN1CCO[C@@H](C1)CN(C)[*:1]
C[C@]1(C(=O)Nc2ccc(C#CCO)cc2)CCCO1 OCC#C[*:1] C[C@@]1(CCCO1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(NC(=O)[C@H](C)SC2=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N2)cc1 COc1ccc(cc1)[*:1] C[C@H](SC1NC(=O)[C@H](C#N)C(C)(C)C=1C#N)C(=O)N[*:1]
CC(C)c1cc(-n2cnc(C(N)=O)c2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1nc(cc(n1)[*:1])-n1cnc(c1)C(N)=O
CC(C)c1cc(-n2cnc(C(N)=O)c2)nc(C(C)C)n1 NC(=O)[*:1] CC(C)c1cc(nc(n1)C(C)C)-n1cnc(c1)[*:1]
CC(C)c1cc(-n2cnc(C(N)=O)c2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1cc(nc(n1)[*:1])-n1cnc(c1)C(N)=O
CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1 CC[C@@H](C#N)O[*:1] Cc1ccc(cc1)[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1 CC[C@@H](C#N)[*:1] Cc1ccc(cc1)[C@H](C)[NH2+]Cc1cccc(c1)O[*:1]
CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CC[C@@H](C#N)Oc1cccc(c1)C[NH2+][C@@H](C)[*:1]
O=C(CN1C(=O)CCC1=O)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)CCC1=O)NCC[*:1]
CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(OC)ccc1F CCCC[*:1] COc1ccc(F)c(c1)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(OC)ccc1F CCC[*:1] COc1ccc(F)c(c1)NC(=O)[C@@H]1CCCN1S(=O)(=O)C[*:1]
Cc1ccc(NC(=O)CSCC(=O)NC2(C)Cc3ccccc3C2)cc1 Cc1ccc(cc1)[*:1] CC1(Cc2ccccc2C1)NC(=O)CSCC(=O)N[*:1]
O=C(Nc1ccnn1Cc1ccccc1)c1cccnc1Sc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(Nc1ccnn1Cc1ccccc1)c1cccnc1S[*:1]
O=C(Nc1ccnn1Cc1ccccc1)c1cccnc1Sc1ccc2c(c1)OCCO2 c1ccc(cc1)C[*:1] O=C(Nc1ccnn1[*:1])c1cccnc1Sc1ccc2OCCOc2c1
O=C(Nc1ccnn1Cc1ccccc1)c1cccnc1Sc1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(Nc1ccnn1C[*:1])c1cccnc1Sc1ccc2OCCOc2c1
C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2nccs2)CC1 c1csc(n1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(CC1)[*:1]
CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1CCCN([C@@H]1[*:1])S(=O)(=O)c1ccc(C)cc1
CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 Cc1ccc(cc1)[*:1] CC(=O)N1CCCN([C@H]1c1ccccc1)S(=O)(=O)[*:1]
C[NH+](C)CCN(Cc1cccnc1)C(=O)c1cc2cccc(Cl)c2o1 c1cncc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1cc2cccc(Cl)c2o1
C[NH+](C)CCN(Cc1cccnc1)C(=O)c1cc2cccc(Cl)c2o1 c1cncc(c1)C[*:1] C[NH+](C)CCN(C(=O)c1cc2cccc(Cl)c2o1)[*:1]
CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)s1 c1ccc(cc1)[*:1] CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(C2)C[*:1])s1
CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)s1 CC(C)[*:1] O=C(Nc1nnc(s1)[*:1])[C@H]1CC(=O)N(Cc2ccccc2)C1
CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)s1 CC(C)c1nnc(s1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(Cc2ccccc2)C1
CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)s1 c1ccc(cc1)C[*:1] CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
CCCOc1ccc2cc(C(=O)NCc3ccc(OC)cc3)c(=O)oc2c1 CCCO[*:1] COc1ccc(cc1)CNC(=O)c1cc2ccc(cc2oc1=O)[*:1]
CCCOc1ccc2cc(C(=O)NCc3ccc(OC)cc3)c(=O)oc2c1 COc1ccc(cc1)[*:1] CCCOc1ccc2cc(C(=O)NC[*:1])c(=O)oc2c1
CCCOc1ccc2cc(C(=O)NCc3ccc(OC)cc3)c(=O)oc2c1 COc1ccc(cc1)C[*:1] CCCOc1ccc2cc(C(=O)N[*:1])c(=O)oc2c1
CCCOc1ccc2cc(C(=O)NCc3ccc(OC)cc3)c(=O)oc2c1 CCC[*:1] COc1ccc(cc1)CNC(=O)c1cc2ccc(cc2oc1=O)O[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O Cc1cc(C)nc(n1)[*:1] COc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)NN[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O COc1ccc(Cl)cc1[*:1] Cc1cc(C)nc(n1)NNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC1(NC(=O)CCc2cccc(F)c2)Cc2ccccc2C1 Fc1cccc(c1)[*:1] CC1(Cc2ccccc2C1)NC(=O)CC[*:1]
CC1(C)CN(c2ccc(CC#N)cc2)C1=O N#CC[*:1] CC1(C)CN(C1=O)c1ccc(cc1)[*:1]
O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)[*:1] O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(nc1)O[*:1]
O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(Oc2ccc(F)cc2)nc1 c1ccc2[nH]c(nc2c1)[*:1] O=C(CC[*:1])Nc1ccc(nc1)Oc1ccc(F)cc1
O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)O[*:1] O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(nc1)[*:1]
COc1cc(C)c([C@@H](C)NC(=O)Nc2nccs2)cc1OC c1csc(n1)[*:1] COc1cc(C)c(cc1OC)[C@@H](C)NC(=O)N[*:1]
O=c1oc(-c2cccs2)nn1CN1CCN(c2ccc(F)cn2)CC1 Fc1ccc(nc1)[*:1] O=c1oc(nn1CN1CCN(CC1)[*:1])-c1cccs1
O=c1oc(-c2cccs2)nn1CN1CCN(c2ccc(F)cn2)CC1 c1csc(c1)[*:1] O=c1oc(nn1CN1CCN(CC1)c1ccc(F)cn1)[*:1]
C[C@H](Cc1ccsc1)NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 c1cc(cs1)[*:1] C[C@H](C[*:1])NC(=O)[C@H]1C=C[C@@H]([NH3+])C1
N#CC(C#N)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccs1 c1csc(c1)[*:1] N#CC(C#N)[C@@H](CC(=O)c1ccc(Cl)cc1)[*:1]
N#CC(C#N)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccs1 N#CC(C#N)[*:1] O=C(C[C@@H](c1cccs1)[*:1])c1ccc(Cl)cc1
N#CC(C#N)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccs1 Clc1ccc(cc1)[*:1] N#CC(C#N)[C@@H](CC(=O)[*:1])c1cccs1
Cc1cc(F)cc(S(=O)(=O)N[C@@H](C)[C@H](C)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cc(F)cc(c1)S(=O)(=O)N[C@@H](C)[C@H](C)[*:1]
CCCOc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccc(C)cc1 O=C(N1CCCC1)[*:1] CCCOc1cc(=O)c(nn1-c1ccc(C)cc1)[*:1]
CCCOc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccc(C)cc1 CCCO[*:1] Cc1ccc(cc1)-n1nc(C(=O)N2CCCC2)c(=O)cc1[*:1]
CCCOc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCOc1cc(=O)c(nn1[*:1])C(=O)N1CCCC1
CCCOc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)-n1nc(C(=O)N2CCCC2)c(=O)cc1O[*:1]
COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)-n1cnc2c1N=C(O)C[C@@H]2[*:1]
COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)cc2)c1 COc1cccc(c1)[*:1] OC1C[C@@H](c2ccc(F)cc2)c2ncn(c2N=1)[*:1]
CCn1nc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C)cc(Cl)cc3s2)cc1C C1CO[C@@H](C1)C[*:1] CCn1nc(cc1C)C(=O)N(c1nc2c(C)cc(Cl)cc2s1)[*:1]
CCn1nc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C)cc(Cl)cc3s2)cc1C CCn1nc(cc1C)[*:1] Cc1cc(Cl)cc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)[*:1]
C[C@H](CNC(=O)NCc1cnn(C)c1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)NCc1cnn(C)c1)c1nc(no1)[*:1]
C[C@H](CNC(=O)NCc1cnn(C)c1)c1nc(-c2ccccc2)no1 Cn1cc(cn1)[*:1] C[C@H](CNC(=O)NC[*:1])c1nc(no1)-c1ccccc1
C[C@H](CNC(=O)NCc1cnn(C)c1)c1nc(-c2ccccc2)no1 Cn1cc(cn1)C[*:1] C[C@H](CNC(=O)N[*:1])c1nc(no1)-c1ccccc1
Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)N(CCO)C3=O)cc1Cl OCC[*:1] Cc1cc(O)c(cc1Cl)-c1n[nH]c2C(=O)N([C@H](c3ccc(cc3)C(C)C)c12)[*:1]
Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)N(CCO)C3=O)cc1Cl Cc1cc(O)c(cc1Cl)[*:1] CC(C)c1ccc(cc1)[C@@H]1c2c(n[nH]c2C(=O)N1CCO)[*:1]
Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)N(CCO)C3=O)cc1Cl CC(C)c1ccc(cc1)[*:1] Cc1cc(O)c(cc1Cl)-c1n[nH]c2C(=O)N(CCO)[C@H](c12)[*:1]
Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)N(CCO)C3=O)cc1Cl CC(C)[*:1] Cc1cc(O)c(cc1Cl)-c1n[nH]c2C(=O)N(CCO)[C@H](c3ccc(cc3)[*:1])c12
COc1cccc([C@H](CO)NC(=O)c2cn(Cc3ccccc3)nn2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)[C@H](CO)NC(=O)c1cn(nn1)[*:1]
COc1cccc([C@H](CO)NC(=O)c2cn(Cc3ccccc3)nn2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@H](CO)NC(=O)c1cn(C[*:1])nn1
COc1cccc([C@H](CO)NC(=O)c2cn(Cc3ccccc3)nn2)c1 COc1cccc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1cn(Cc2ccccc2)nn1
CCCc1nc(CN2C(=O)N[C@@](C)(CC(C)C)C2=O)cs1 CCC[*:1] CC(C)C[C@]1(C)NC(=O)N(Cc2csc(n2)[*:1])C1=O
CCCc1nc(CN2C(=O)N[C@@](C)(CC(C)C)C2=O)cs1 CC(C)[*:1] CCCc1nc(cs1)CN1C(=O)N[C@@](C)(C[*:1])C1=O
CCCc1nc(CN2C(=O)N[C@@](C)(CC(C)C)C2=O)cs1 CC(C)C[*:1] CCCc1nc(cs1)CN1C(=O)N[C@@](C)(C1=O)[*:1]
O=C(Nc1nc[nH]n1)c1ccccc1-c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Nc1nc[nH]n1)c1ccccc1-c1ccc(cc1)[*:1]
Cc1ccccc1-c1cc(N(C)C(=O)c2n[nH]c(=O)[nH]2)n[nH]1 Cc1ccccc1[*:1] CN(C(=O)c1n[nH]c(=O)[nH]1)c1cc([nH]n1)[*:1]
Cc1ccccc1-c1cc(N(C)C(=O)c2n[nH]c(=O)[nH]2)n[nH]1 O=c1[nH]nc([nH]1)[*:1] Cc1ccccc1-c1cc(n[nH]1)N(C)C(=O)[*:1]
CN(C)C(=O)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1 O=[N+]([O-])c1ccc(o1)[*:1] CN(C)C(=O)C(=C[*:1])NC(=O)c1ccccc1
CN(C)C(=O)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1 O=[N+]([O-])[*:1] CN(C)C(=O)/C(=C\c1ccc(o1)[*:1])NC(=O)c1ccccc1
CN(C)C(=O)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])NC(=O)[*:1]
CN(C)C(=O)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1 CN(C)C(=O)[*:1] O=C(N/C(=C/c1ccc(o1)[N+](=O)[O-])[*:1])c1ccccc1
CC(=O)N1CCC([NH+](C)Cc2noc(CC(C)C)n2)CC1 CC(C)[*:1] CC(=O)N1CCC(CC1)[NH+](C)Cc1noc(C[*:1])n1
CC(=O)N1CCC([NH+](C)Cc2noc(CC(C)C)n2)CC1 CC(C)C[*:1] CC(=O)N1CCC(CC1)[NH+](C)Cc1noc(n1)[*:1]
CCOc1ccccc1N1CCN(C(=O)Cc2cn3ccsc3n2)CC1 c1cn2cc(nc2s1)[*:1] CCOc1ccccc1N1CCN(CC1)C(=O)C[*:1]
CCOc1ccccc1N1CCN(C(=O)Cc2cn3ccsc3n2)CC1 CCO[*:1] O=C(Cc1cn2ccsc2n1)N1CCN(CC1)c1ccccc1[*:1]
CCOC(=O)c1cccc(N[C@H](C)C[C@@H]2CCCC[NH2+]2)c1 CCOC(=O)[*:1] C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1cccc(c1)[*:1]
COC(=O)[C@@H]1OC2(CCCCC2)O[C@H]1C(=O)OC COC(=O)[*:1] COC(=O)[C@@H]1OC2(CCCCC2)O[C@H]1[*:1]
Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 Clc1ccc(cc1)[*:1] Cc1nc(sc1CCNC(=O)C(=O)Nc1ccc2OCCOc2c1)[*:1]
Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] Cc1nc(sc1CCNC(=O)C(=O)N[*:1])-c1ccc(Cl)cc1
Cc1c(-n2nnnc2SCCOc2ccccc2F)c(=O)n(-c2ccccc2)n1C Fc1ccccc1OCC[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)-n1nnnc1S[*:1]
Cc1c(-n2nnnc2SCCOc2ccccc2F)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(c(=O)n(n1C)[*:1])-n1nnnc1SCCOc1ccccc1F
Cc1c(-n2nnnc2SCCOc2ccccc2F)c(=O)n(-c2ccccc2)n1C Fc1ccccc1OC[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)-n1nnnc1SC[*:1]
Cc1c(-n2nnnc2SCCOc2ccccc2F)c(=O)n(-c2ccccc2)n1C Fc1ccccc1[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)-n1nnnc1SCCO[*:1]
Cc1c(-n2nnnc2SCCOc2ccccc2F)c(=O)n(-c2ccccc2)n1C Fc1ccccc1O[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)-n1nnnc1SCC[*:1]
c1csc(-c2cc(CSCc3nnnn3C3CC3)no2)c1 c1csc(c1)[*:1] c1c(CSCc2nnnn2C2CC2)noc1[*:1]
c1csc(-c2cc(CSCc3nnnn3C3CC3)no2)c1 C1CC1[*:1] c1csc(c1)-c1cc(CSCc2nnnn2[*:1])no1
Cc1ccc(-c2nc(NCCN3CCOC3=O)ncc2-c2ccoc2)cc1 O=C1OCCN1[*:1] Cc1ccc(cc1)-c1nc(ncc1-c1ccoc1)NCC[*:1]
Cc1ccc(-c2nc(NCCN3CCOC3=O)ncc2-c2ccoc2)cc1 O=C1OCCN1CCN[*:1] Cc1ccc(cc1)-c1nc(ncc1-c1ccoc1)[*:1]
Cc1ccc(-c2nc(NCCN3CCOC3=O)ncc2-c2ccoc2)cc1 O=C1OCCN1C[*:1] Cc1ccc(cc1)-c1nc(ncc1-c1ccoc1)NC[*:1]
Cc1ccc(-c2nc(NCCN3CCOC3=O)ncc2-c2ccoc2)cc1 c1cc(co1)[*:1] Cc1ccc(cc1)-c1nc(ncc1[*:1])NCCN1CCOC1=O
Cc1ccc(-c2nc(NCCN3CCOC3=O)ncc2-c2ccoc2)cc1 O=C1OCCN1CC[*:1] Cc1ccc(cc1)-c1nc(ncc1-c1ccoc1)N[*:1]
Cc1ccc(-c2nc(NCCN3CCOC3=O)ncc2-c2ccoc2)cc1 Cc1ccc(cc1)[*:1] O=C1OCCN1CCNc1ncc(-c2ccoc2)c(n1)[*:1]
CC(C)Oc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Br C1CO[C@@H](C1)C[*:1] CC(C)Oc1ccc(cc1Br)C(=O)N[*:1]
CC(C)Oc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Br CC(C)O[*:1] O=C(NC[C@@H]1CCCO1)c1ccc(c(Br)c1)[*:1]
CC(C)Oc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Br CC(C)[*:1] O=C(NC[C@@H]1CCCO1)c1ccc(O[*:1])c(Br)c1
CC(C)Oc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Br C1CO[C@@H](C1)[*:1] CC(C)Oc1ccc(cc1Br)C(=O)NC[*:1]
CC(C)OCCN1CCN(C(=O)[C@H](C)Oc2cccc(F)c2)CC1 CC(C)[*:1] C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(CCO[*:1])CC1
CC(C)OCCN1CCN(C(=O)[C@H](C)Oc2cccc(F)c2)CC1 CC(C)OC[*:1] C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(CC1)C[*:1]
CC(C)OCCN1CCN(C(=O)[C@H](C)Oc2cccc(F)c2)CC1 CC(C)OCC[*:1] C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(CC1)[*:1]
CC(C)OCCN1CCN(C(=O)[C@H](C)Oc2cccc(F)c2)CC1 CC(C)O[*:1] C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(CC1)CC[*:1]
CC(C)OCCN1CCN(C(=O)[C@H](C)Oc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)OCCN1CCN(CC1)C(=O)[C@H](C)O[*:1]
CC(C)OCCN1CCN(C(=O)[C@H](C)Oc2cccc(F)c2)CC1 Fc1cccc(c1)O[*:1] CC(C)OCCN1CCN(CC1)C(=O)[C@H](C)[*:1]
N#Cc1ccsc1NC(=O)CSC1CCCC1 C1CCC(C1)[*:1] N#Cc1ccsc1NC(=O)CS[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](c3ccccc3OC)C2)C1 COc1ccccc1[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N1CC[C@H](C1)[*:1]
CC[C@H](NC(=O)N[C@H](C)CCCO)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)N[C@H](C)CCCO)[*:1]
CC[C@H](NC(=O)N[C@H](C)CCCO)c1cccs1 OCC[*:1] CC[C@H](NC(=O)N[C@H](C)C[*:1])c1cccs1
CC[C@H](NC(=O)N[C@H](C)CCCO)c1cccs1 OCCC[*:1] CC[C@H](NC(=O)N[C@H](C)[*:1])c1cccs1
CC[C@H](NC(=O)N[C@H](C)CCCO)c1cccs1 C[C@H](CCCO)[*:1] CC[C@H](NC(=O)N[*:1])c1cccs1
C[C@H]1CCN(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)c2ccccc2S1 Fc1ccccc1[*:1] C[C@H]1CCN(C(=O)CSc2nc(n[nH]2)[*:1])c2ccccc2S1
Cc1ccc(CN2CCN(C(=O)[C@]3(C)Oc4ccc(C)cc4N(C)C3=O)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc2O[C@@](C)(C(=O)N3CCN(CC3)[*:1])C(=O)N(C)c2c1
Cc1ccc(CN2CCN(C(=O)[C@]3(C)Oc4ccc(C)cc4N(C)C3=O)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2O[C@@](C)(C(=O)N3CCN(CC3)C[*:1])C(=O)N(C)c2c1
C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 Clc1ccc(cc1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](N1CCOCC1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[*:1]
C[C@H](OCc1ccc([N+](=O)[O-])c(NN)c1)c1ccccc1 O=[N+]([O-])[*:1] C[C@H](OCc1ccc(c(c1)NN)[*:1])c1ccccc1
C[C@H](OCc1ccc([N+](=O)[O-])c(NN)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](OCc1ccc(c(c1)NN)[N+](=O)[O-])[*:1]
CC(C)N(CCCC(=O)[O-])c1ccc2nccnc2n1 O=C([O-])CCC[*:1] CC(C)N(c1ccc2nccnc2n1)[*:1]
CC(C)N(CCCC(=O)[O-])c1ccc2nccnc2n1 O=C([O-])CC[*:1] CC(C)N(C[*:1])c1ccc2nccnc2n1
CC(C)N(CCCC(=O)[O-])c1ccc2nccnc2n1 CC(C)[*:1] O=C([O-])CCCN(c1ccc2nccnc2n1)[*:1]
CC(C)N(CCCC(=O)[O-])c1ccc2nccnc2n1 O=C([O-])[*:1] CC(C)N(CCC[*:1])c1ccc2nccnc2n1
CC(C)N(CCCC(=O)[O-])c1ccc2nccnc2n1 O=C([O-])C[*:1] CC(C)N(CC[*:1])c1ccc2nccnc2n1
O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CCN(c2ccccc2)CC1 Clc1ccccc1[*:1] O=C(C1CCN(CC1)S(=O)(=O)C[*:1])N1CCN(CC1)c1ccccc1
O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CCN(c2ccccc2)CC1 Clc1ccccc1C[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)Cc1ccccc1Cl)N1CCN(CC1)[*:1]
CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1 C1CCC(CC1)[*:1] CCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1cccnc1)[*:1]
CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1 c1cncc(c1)[*:1] CCN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
Cn1ncc2c(=O)n(CCC(=O)N(C[C@@H]3CCOC3)C3CC3)cnc21 C1C[C@H](CO1)C[*:1] Cn1ncc2c(=O)n(cnc21)CCC(=O)N(C1CC1)[*:1]
Cn1ncc2c(=O)n(CCC(=O)N(C[C@@H]3CCOC3)C3CC3)cnc21 C1CC1[*:1] Cn1ncc2c(=O)n(cnc21)CCC(=O)N(C[C@@H]1CCOC1)[*:1]
CCCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 CCC[*:1] C[C@H](NC(=O)N(Cc1ccccc1)[*:1])c1cccc(c1)-n1ccnc1
CCCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] CCCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
CCCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 c1ccc(cc1)C[*:1] CCCN(C(=O)N[C@@H](C)c1cccc(c1)-n1ccnc1)[*:1]
CCCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 c1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)N[C@@H](C)c1cccc(c1)-n1ccnc1
[NH3+]Cc1ccc([C@H](O)CS(=O)(=O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] [NH3+]Cc1ccc(cc1)[C@H](O)CS(=O)(=O)[*:1]
c1cc(C[NH2+][C@@H](c2cccs2)C2CCCC2)cc(Cn2ccnc2)c1 C1CCC(C1)[*:1] c1cc(cc(c1)Cn1ccnc1)C[NH2+][C@@H](c1cccs1)[*:1]
c1cc(C[NH2+][C@@H](c2cccs2)C2CCCC2)cc(Cn2ccnc2)c1 c1cn(cn1)C[*:1] c1cc(cc(c1)[*:1])C[NH2+][C@@H](c1cccs1)C1CCCC1
c1cc(C[NH2+][C@@H](c2cccs2)C2CCCC2)cc(Cn2ccnc2)c1 c1csc(c1)[*:1] c1cc(cc(c1)Cn1ccnc1)C[NH2+][C@@H](C1CCCC1)[*:1]
c1cc(C[NH2+][C@@H](c2cccs2)C2CCCC2)cc(Cn2ccnc2)c1 c1cn(cn1)[*:1] c1cc(cc(c1)C[*:1])C[NH2+][C@@H](c1cccs1)C1CCCC1
CC[C@@H](C)c1ccc(NC(=O)CS(=O)(=O)Cc2nnc(C)n2C)cc1 CC[C@@H](C)[*:1] Cc1nnc(CS(=O)(=O)CC(=O)Nc2ccc(cc2)[*:1])n1C
CC[C@@H](C)c1ccc(NC(=O)CS(=O)(=O)Cc2nnc(C)n2C)cc1 Cc1nnc(n1C)[*:1] CC[C@@H](C)c1ccc(cc1)NC(=O)CS(=O)(=O)C[*:1]
CC[C@@H](C)c1ccc(NC(=O)CS(=O)(=O)Cc2nnc(C)n2C)cc1 Cc1nnc(C[*:1])n1C CC[C@@H](C)c1ccc(cc1)NC(=O)CS(=O)(=O)[*:1]
CCOC(=O)[C@](C)(O)[C@@H]1CC[C@H](C)[C@H](C)C1 CCOC(=O)[*:1] C[C@H]1CC[C@H](C[C@H]1C)[C@](C)(O)[*:1]
CCn1nc(C(C)C)cc1C(=O)NC[C@H]1CN(S(C)(=O)=O)CCO1 CC(C)[*:1] CCn1nc(cc1C(=O)NC[C@H]1CN(CCO1)S(C)(=O)=O)[*:1]
COC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)c2ccc3CCCCc3c2)sc2CN(CCc21)C[*:1]
COC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc2c1CCN(Cc1ccccc1)C2 COC(=O)[*:1] O=C(Nc1sc2CN(CCc2c1[*:1])Cc1ccccc1)c1ccc2CCCCc2c1
COC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] COC(=O)c1c(NC(=O)c2ccc3CCCCc3c2)sc2CN(CCc21)[*:1]
COC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc2c1CCN(Cc1ccccc1)C2 c1cc2CCCCc2cc1[*:1] COC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)Cc1ccccc1
O=C(Nc1ccc(Cl)cc1)c1cc([O-])n(Cc2ccccc2)c(=O)n1 Clc1ccc(cc1)[*:1] O=C(N[*:1])c1cc([O-])n(Cc2ccccc2)c(=O)n1
O=C(Nc1ccc(Cl)cc1)c1cc([O-])n(Cc2ccccc2)c(=O)n1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(Cl)cc1)c1cc([O-])n(c(=O)n1)[*:1]
O=C(Nc1ccc(Cl)cc1)c1cc([O-])n(Cc2ccccc2)c(=O)n1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)c1cc([O-])n(C[*:1])c(=O)n1
O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)c1ccccc1 O=C(N[*:1])C(F)(F)F O=C(COC(=O)c1cccc(c1)[*:1])c1ccccc1
O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])c1cccc(c1)NC(=O)C(F)(F)F
O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(OC[*:1])c1cccc(c1)NC(=O)C(F)(F)F
O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)c1ccccc1 FC(F)(F)[*:1] O=C(COC(=O)c1cccc(c1)NC(=O)[*:1])c1ccccc1
CO[C@]1(C)C[C@H](NC(=O)N2CCOC[C@@H]2C2CC2)C1(C)C C1CC1[*:1] CO[C@]1(C)C[C@H](NC(=O)N2CCOC[C@H]2[*:1])C1(C)C
C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(CS(N)(=O)=O)CC1 Fc1cccc(c1)[*:1] C[C@@H](CC[*:1])C(=O)N1CCC(CC1)CS(N)(=O)=O
C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(CS(N)(=O)=O)CC1 Fc1cccc(c1)C[*:1] C[C@@H](C[*:1])C(=O)N1CCC(CC1)CS(N)(=O)=O
C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(CS(N)(=O)=O)CC1 NS(=O)(=O)[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(CC1)C[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(CS(N)(=O)=O)CC1 NS(=O)(=O)C[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(CC1)[*:1]
Nc1cc[nH+]c(N2CCC[C@@](CO)(Cc3ccccc3F)C2)n1 Fc1ccccc1[*:1] Nc1cc[nH+]c(n1)N1CCC[C@](CO)(C1)C[*:1]
O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 c1n[nH]cc1[*:1] O=C(Nc1cccc(c1)-c1ccc(F)cc1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CCCN(C1)C(=O)c1cn[nH]c1
COc1ncccc1CNc1ccc(S(=O)(=O)N2CCCC2)cn1 COc1ncccc1[*:1] O=S(=O)(c1ccc(nc1)NC[*:1])N1CCCC1
COc1ncccc1CNc1ccc(S(=O)(=O)N2CCCC2)cn1 O=S(=O)(N1CCCC1)[*:1] COc1ncccc1CNc1ccc(cn1)[*:1]
C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] C[C@@H](Oc1cc2oc(=O)c3CCCc3c2cc1Cl)[*:1]
C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1cc2oc(=O)c3CCCc3c2cc1Cl)C(=O)[*:1]
COc1ccccc1-c1nc2nccc(-c3ccsc3)n2n1 c1cc(cs1)[*:1] COc1ccccc1-c1nc2nccc(n2n1)[*:1]
O=C([C@H]1CCCO1)N1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 c1ccc(cc1)S[*:1] O=C([C@H]1CCCO1)N1CCN(CC1)C(=O)[C@H](c1ccccc1)[*:1]
O=C([C@H]1CCCO1)N1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@H]1CCCO1)N1CCN(CC1)C(=O)[C@H](Sc1ccccc1)[*:1]
O=C([C@H]1CCCO1)N1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@H]1CCCO1)N1CCN(CC1)C(=O)[C@H](S[*:1])c1ccccc1
COc1cccc(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] COc1cccc(c1)CC(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 Fc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
Cc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)[*:1]
Cc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 Cc1ccccc1[*:1] O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N[*:1]
CO[C@@H](C(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 CO[C@@H](c1ccccc1)[*:1] C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)[*:1]
CO[C@@H](C(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1Cl)[*:1]
CO[C@@H](C(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 Clc1ccc(c(Cl)c1)[*:1] CO[C@@H](C(=O)N/N=C(\C)CC(=O)N[*:1])c1ccccc1
C[NH2+][C@@H](CCc1nc(C)cs1)C1CC1 C1CC1[*:1] C[NH2+][C@@H](CCc1nc(C)cs1)[*:1]
COCCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 COCCC[*:1] C[C@]1(Cn2c(cc3sccc32)C(=O)N1[*:1])C(=O)NC1CCCCCCC1
COCCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 COC[*:1] C[C@]1(Cn2c(cc3sccc32)C(=O)N1CC[*:1])C(=O)NC1CCCCCCC1
COCCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] COCCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)N[*:1]
COCCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 COCC[*:1] C[C@]1(Cn2c(cc3sccc32)C(=O)N1C[*:1])C(=O)NC1CCCCCCC1
C[C@H]1c2ccccc2CCN1C(=O)NCc1ccnc(OCC(F)F)c1 FC(F)[*:1] C[C@H]1c2ccccc2CCN1C(=O)NCc1ccnc(c1)OC[*:1]
C[C@H]1c2ccccc2CCN1C(=O)NCc1ccnc(OCC(F)F)c1 FC(F)CO[*:1] C[C@H]1c2ccccc2CCN1C(=O)NCc1ccnc(c1)[*:1]
C[C@H]1c2ccccc2CCN1C(=O)NCc1ccnc(OCC(F)F)c1 FC(F)C[*:1] C[C@H]1c2ccccc2CCN1C(=O)NCc1ccnc(c1)O[*:1]
CC(C)c1nc(C(=O)Nc2cccc(Cl)c2Cl)n[nH]1 CC(C)[*:1] O=C(Nc1cccc(Cl)c1Cl)c1n[nH]c(n1)[*:1]
CCn1ncc(C(=O)N[C@@H]2CC[C@H](SC)C2)c1C(F)(F)F FC(F)(F)[*:1] CCn1ncc(C(=O)N[C@@H]2CC[C@@H](C2)SC)c1[*:1]
O=C(c1cccnc1N1CCC[C@H]([NH+]2CCCCCC2)C1)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1cnc(c(c1)[*:1])N1CCC[C@@H](C1)[NH+]1CCCCCC1
CCCn1nc(C(=O)Nc2cncc3ccccc23)ccc1=O CCC[*:1] O=C(Nc1cncc2ccccc12)c1ccc(=O)n(n1)[*:1]
C[NH2+][C@@H]1CCCC[C@@H]1CN(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] C[NH2+][C@@H]1CCCC[C@@H]1CN(C)C[*:1]
C[NH2+][C@@H]1CCCC[C@@H]1CN(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] C[NH2+][C@@H]1CCCC[C@@H]1CN(C)CC[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)N1CC[C@@H](CC(=O)[O-])C1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)N1CC[C@@H](CC(=O)[O-])C1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)N1CC[C@@H](CC(=O)[O-])C1 O=C([O-])C[*:1] C[C@H](Cc1cccs1)N(C)C(=O)N1CC[C@@H](C1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)N1CC[C@@H](CC(=O)[O-])C1 O=C([O-])[*:1] C[C@H](Cc1cccs1)N(C)C(=O)N1CC[C@H](C1)C[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)N1CC[C@@H](CC(=O)[O-])C1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)N1CC[C@@H](CC(=O)[O-])C1
O=C(NC(C1CCCC1)C1CCCC1)c1cnc([C@@H]2CCCO2)s1 C1CCC(C1)[*:1] O=C(NC(C1CCCC1)[*:1])c1cnc(s1)[C@@H]1CCCO1
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)C1CC1 C1CC1[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)[*:1]
CS(=O)(=O)CCCNc1cccc(-c2ccc3c(c2)CCO3)c1 CS(=O)(=O)[*:1] c1cc(cc(c1)-c1ccc2OCCc2c1)NCCC[*:1]
CS(=O)(=O)CCCNc1cccc(-c2ccc3c(c2)CCO3)c1 CS(=O)(=O)C[*:1] c1cc(cc(c1)-c1ccc2OCCc2c1)NCC[*:1]
CS(=O)(=O)CCCNc1cccc(-c2ccc3c(c2)CCO3)c1 CS(=O)(=O)CCC[*:1] c1cc(cc(c1)-c1ccc2OCCc2c1)N[*:1]
CS(=O)(=O)CCCNc1cccc(-c2ccc3c(c2)CCO3)c1 CS(=O)(=O)CC[*:1] c1cc(cc(c1)-c1ccc2OCCc2c1)NC[*:1]
CC(C)[C@@H](NC(=O)N(Cc1cccnc1)C(C)C)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)N(Cc1cccnc1)C(C)C)[*:1]
CC(C)[C@@H](NC(=O)N(Cc1cccnc1)C(C)C)c1ccccn1 c1cncc(c1)C[*:1] CC(C)[C@@H](NC(=O)N(C(C)C)[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)N(Cc1cccnc1)C(C)C)c1ccccn1 c1cncc(c1)[*:1] CC(C)[C@@H](NC(=O)N(C[*:1])C(C)C)c1ccccn1
CC(C)[C@@H](NC(=O)N(Cc1cccnc1)C(C)C)c1ccccn1 CC(C)[*:1] CC(C)N(Cc1cccnc1)C(=O)N[C@@H](c1ccccn1)[*:1]
CC(C)[C@@H](NC(=O)N(Cc1cccnc1)C(C)C)c1ccccn1 CC(C)[*:1] CC(C)[C@@H](NC(=O)N(Cc1cccnc1)[*:1])c1ccccn1
Cc1cc(C)n2nc(C(=O)N[C@@H](C)c3ccc(C)o3)nc2n1 Cc1ccc(o1)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N[C@@H](C)[*:1]
Fc1ccccc1N1CCN(c2nc3ccccc3[nH]2)CC1 Fc1ccccc1[*:1] c1ccc2[nH]c(nc2c1)N1CCN(CC1)[*:1]
Cc1cccnc1C[C@H]([NH3+])[C@H]1C[C@@H]1C C[C@H]1C[C@@H]1[*:1] Cc1cccnc1C[C@H]([NH3+])[*:1]
CC[C@@H]1CO[C@H](C)CN1[C@H](C[NH3+])CC(=O)NC(C)C CC(C)NC(=O)[*:1] CC[C@@H]1CO[C@H](C)CN1[C@H](C[NH3+])C[*:1]
CC[C@@H]1CO[C@H](C)CN1[C@H](C[NH3+])CC(=O)NC(C)C CC(C)[*:1] CC[C@@H]1CO[C@H](C)CN1[C@H](C[NH3+])CC(=O)N[*:1]
O=C(CN[C@H](Cc1ccccc1)C(F)(F)F)N1CCc2sccc2C1 c1ccc(cc1)[*:1] O=C(CN[C@H](C[*:1])C(F)(F)F)N1CCc2sccc2C1
O=C(CN[C@H](Cc1ccccc1)C(F)(F)F)N1CCc2sccc2C1 c1ccc(cc1)C[*:1] O=C(CN[C@H](C(F)(F)F)[*:1])N1CCc2sccc2C1
O=C(CN[C@H](Cc1ccccc1)C(F)(F)F)N1CCc2sccc2C1 FC(F)(F)[*:1] O=C(CN[C@H](Cc1ccccc1)[*:1])N1CCc2sccc2C1
CC[NH2+][C@@H](Cc1ccncc1)c1cc(C)c(Br)s1 c1cc(ccn1)[*:1] CC[NH2+][C@@H](C[*:1])c1cc(C)c(Br)s1
Cc1c(C=O)c2ccccc2n1CC(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(C=O)c2ccccc2n1CC(=O)N(C)[*:1]
Oc1ccccc1N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 Fc1ccc(cc1)[*:1] Oc1ccccc1N1CCN(CC1)c1ncnc2scc(c12)[*:1]
Oc1ccccc1N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 Oc1ccccc1[*:1] Fc1ccc(cc1)-c1csc2ncnc(c12)N1CCN(CC1)[*:1]
O=C([C@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCOC[C@@H]1CCO OCC[*:1] O=C([C@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCOC[C@H]1[*:1]
Cc1cc(C)c(NC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)c(C)c1 Clc1cccc(c1)[*:1] Cc1cc(C)c(NC(=O)N(C)CC(=O)N[*:1])c(C)c1
Cc1nc(-c2ccc(NC(=O)Nc3ccc4nsnc4c3)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1ccc2nsnc2c1
COCCOc1cc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)ccc1OC COCCO[*:1] COc1ccc(cc1[*:1])NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2
COCCOc1cc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)ccc1OC COC[*:1] COc1ccc(cc1OC[*:1])NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2
COCCOc1cc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)ccc1OC COCC[*:1] COc1ccc(cc1O[*:1])NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2
CC1=C(CNc2ncc3c(n2)CCN3c2ccccc2)[C@H](C)N=N1 c1ccc(cc1)[*:1] CC1N=N[C@@H](C)C=1CNc1ncc2c(CCN2[*:1])n1
CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCC[C@@H]2CCC[C@@H]21 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCNC(=O)N1CCC[C@@H]2CCC[C@@H]21
CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCC[C@@H]2CCC[C@@H]21 c1ccc(cc1)C[*:1] CN(C(=O)CCNC(=O)N1CCC[C@@H]2CCC[C@@H]21)[*:1]
C=CCOCCCC(=O)N1CCO[C@H](c2ccccc2F)C1 C=CCOCCC[*:1] O=C(N1CCO[C@@H](C1)c1ccccc1F)[*:1]
C=CCOCCCC(=O)N1CCO[C@H](c2ccccc2F)C1 C=CCOC[*:1] O=C(CC[*:1])N1CCO[C@@H](C1)c1ccccc1F
C=CCOCCCC(=O)N1CCO[C@H](c2ccccc2F)C1 C=CC[*:1] O=C(CCCO[*:1])N1CCO[C@@H](C1)c1ccccc1F
C=CCOCCCC(=O)N1CCO[C@H](c2ccccc2F)C1 C=CCO[*:1] O=C(CCC[*:1])N1CCO[C@@H](C1)c1ccccc1F
C=CCOCCCC(=O)N1CCO[C@H](c2ccccc2F)C1 C=CCOCC[*:1] O=C(C[*:1])N1CCO[C@@H](C1)c1ccccc1F
C=CCOCCCC(=O)N1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] C=CCOCCCC(=O)N1CCO[C@H](C1)[*:1]
CCN(CC)C(=O)[C@H]([NH3+])C(C)C CC(C)[*:1] CCN(CC)C(=O)[C@H]([NH3+])[*:1]
C[C@@H](CNC(=O)c1nccnc1N)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1nccnc1N)c1nc(no1)[*:1]
C[C@@H](CNC(=O)c1nccnc1N)c1nc(-c2ccccc2)no1 Nc1nccnc1[*:1] C[C@@H](CNC(=O)[*:1])c1nc(no1)-c1ccccc1
O=C(Cc1cccs1)NCc1cccc(C(F)(F)F)c1 c1csc(c1)[*:1] O=C(C[*:1])NCc1cccc(c1)C(F)(F)F
O=C(Cc1cccs1)NCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cc1cccs1)NCc1cccc(c1)[*:1]
O=C(Cc1cccs1)NCc1cccc(C(F)(F)F)c1 c1csc(c1)C[*:1] O=C(NCc1cccc(c1)C(F)(F)F)[*:1]
OC(O)c1n[nH]c(C(O)O)n1 OC(O)[*:1] OC(O)c1nc(n[nH]1)[*:1]
COc1ccc([C@@H]2N=C(NC(=O)c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 COc1ccc(cc1)[*:1] O=C(NC1=N[C@H](n2c(nc3ccccc32)N1)[*:1])c1ccc(Cl)cc1
COc1ccc([C@@H]2N=C(NC(=O)c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1N=C(NC(=O)[*:1])Nc2nc3ccccc3n21
C[C@@H](CS(C)(=O)=O)NC(=O)N[C@H](C)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](CS(C)(=O)=O)NC(=O)N[C@H](C)[*:1]
C[C@@H](CS(C)(=O)=O)NC(=O)N[C@H](C)C1CCCCC1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])NC(=O)N[C@H](C)C1CCCCC1
C[C@@H](CS(C)(=O)=O)NC(=O)N[C@H](C)C1CCCCC1 CS(=O)(=O)C[*:1] C[C@@H](NC(=O)N[C@H](C)C1CCCCC1)[*:1]
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(Br)cc1 O=C(C[*:1])c1ccc(Br)cc1 O=C(O[*:1])c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(Br)cc1 O=C(c1ccc(Br)cc1)[*:1] O=C(OC[*:1])c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O
O=C(C[NH+]1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N1CCOCC1)Nc1ccc(cc1)O[*:1]
O=C(C[NH+]1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 O=C(N1CCOCC1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])Nc1ccc(cc1)OC(F)(F)F
O=C(C[NH+]1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 O=C(C[*:1])N1CCOCC1 O=C(C[NH+]1CCN(CC1)[*:1])Nc1ccc(cc1)OC(F)(F)F
O=C(C[NH+]1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N1CCOCC1)Nc1ccc(cc1)[*:1]
Cc1cc2nc(N3CCN(C(=O)c4c(F)cccc4F)CC3)sc2cc1C Fc1cccc(F)c1[*:1] Cc1cc2nc(sc2cc1C)N1CCN(CC1)C(=O)[*:1]
CNC(=O)c1cc(Cl)ccc1NCc1cnc(Cl)s1 Clc1ncc(s1)[*:1] CNC(=O)c1cc(Cl)ccc1NC[*:1]
CNC(=O)c1cc(Cl)ccc1NCc1cnc(Cl)s1 CNC(=O)[*:1] Clc1ccc(NCc2cnc(Cl)s2)c(c1)[*:1]
CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cncc(C)c1 Cc1cncc(c1)[*:1] CCN(Cc1ccc2OCOc2c1)C(=O)[*:1]
Cc1cc(C)cc(NC(=O)NC[C@@H](c2cccnc2)c2cn(C)c3ccccc23)c1 c1cncc(c1)[*:1] Cc1cc(C)cc(c1)NC(=O)NC[C@@H](c1cn(C)c2ccccc12)[*:1]
Cc1cc(C)cc(NC(=O)NC[C@@H](c2cccnc2)c2cn(C)c3ccccc23)c1 Cn1cc(c2ccccc21)[*:1] Cc1cc(C)cc(c1)NC(=O)NC[C@@H](c1cccnc1)[*:1]
Cc1cc(C)cc(NC(=O)NC[C@@H](c2cccnc2)c2cn(C)c3ccccc23)c1 Cc1cc(C)cc(c1)[*:1] Cn1cc(c2ccccc21)[C@@H](CNC(=O)N[*:1])c1cccnc1
O=C(/C=C\c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1ccccc1 O=C(C=C[*:1])c1ccccc1 O[C@@H](CN1CCc2ccccc21)Cn1cc(c2ccccc21)[*:1]
O=C(/C=C\c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1ccccc1 O=C(c1ccccc1)[*:1] O[C@@H](CN1CCc2ccccc21)Cn1cc(C=C[*:1])c2ccccc21
O=C(/C=C\c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C\c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)[*:1]
O=C(/C=C\c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1ccccc1 c1ccc2c(c1)CCN2C[*:1] O=C(/C=C\c1cn(C[C@@H](O)[*:1])c2ccccc12)c1ccccc1
O=C(/C=C\c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1ccccc1 c1ccc2c(c1)CCN2[*:1] O=C(/C=C\c1cn(C[C@@H](O)C[*:1])c2ccccc12)c1ccccc1
Cc1nn(CCO)c(C)c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 OCC[*:1] Cc1nn(c(C)c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1)[*:1]
CCCNC(=O)[C@H](C)Oc1c(F)cc(C[NH3+])cc1F CCC[*:1] C[C@H](Oc1c(F)cc(cc1F)C[NH3+])C(=O)N[*:1]
CCCNC(=O)[C@H](C)Oc1c(F)cc(C[NH3+])cc1F CCCNC(=O)[*:1] C[C@H](Oc1c(F)cc(cc1F)C[NH3+])[*:1]
CS[C@@H](C)c1cccc(NC(=O)NCCc2sc(C)nc2C)c1 Cc1nc(C)c(s1)[*:1] CS[C@@H](C)c1cccc(c1)NC(=O)NCC[*:1]
O=C(NCc1cccnc1OCC(F)(F)F)C(=O)Nc1cc(F)ccc1F FC(F)(F)C[*:1] O=C(NCc1cccnc1O[*:1])C(=O)Nc1cc(F)ccc1F
O=C(NCc1cccnc1OCC(F)(F)F)C(=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(NCc1cccnc1OCC(F)(F)F)C(=O)N[*:1]
O=C(NCc1cccnc1OCC(F)(F)F)C(=O)Nc1cc(F)ccc1F FC(F)(F)[*:1] O=C(NCc1cccnc1OC[*:1])C(=O)Nc1cc(F)ccc1F
O=C(NCc1cccnc1OCC(F)(F)F)C(=O)Nc1cc(F)ccc1F FC(F)(F)CO[*:1] O=C(NCc1cccnc1[*:1])C(=O)Nc1cc(F)ccc1F
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)OCC#N N#CCOC(=O)[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)OCC#N N#CC[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)O[*:1]
COC(=O)c1nn(CC(C)(C)O)c2c1CCCC2 CC(C)(O)C[*:1] COC(=O)c1nn(c2CCCCc12)[*:1]
COC(=O)c1nn(CC(C)(C)O)c2c1CCCC2 CC(C)(O)[*:1] COC(=O)c1nn(C[*:1])c2CCCCc12
COC(=O)c1nn(CC(C)(C)O)c2c1CCCC2 COC(=O)[*:1] CC(C)(O)Cn1nc(c2CCCCc21)[*:1]
C[C@@H]1CN(C(=O)[C@@H](C)C(N)=S)C[C@@H]1C NC(=S)[*:1] C[C@@H]1CN(C[C@@H]1C)C(=O)[C@@H](C)[*:1]
O=C(NCc1ccnc(OC2CCC2)c1)c1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] O=C(NCc1ccnc(c1)OC1CCC1)c1ccc(cc1)[*:1]
O=C(NCc1ccnc(OC2CCC2)c1)c1ccc(Cn2cccn2)cc1 C1CC(C1)O[*:1] O=C(NCc1ccnc(c1)[*:1])c1ccc(cc1)Cn1cccn1
O=C(NCc1ccnc(OC2CCC2)c1)c1ccc(Cn2cccn2)cc1 C1CC(C1)[*:1] O=C(NCc1ccnc(c1)O[*:1])c1ccc(cc1)Cn1cccn1
O=C(NCc1ccnc(OC2CCC2)c1)c1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] O=C(NCc1ccnc(c1)OC1CCC1)c1ccc(cc1)C[*:1]
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(cc1)[*:1]
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1ccc(cc1)S(N)(=O)=O
CCOC(=O)[C@@]1([NH2+]C2CC2)CC[C@@H](SC(C)C)C1 CC(C)S[*:1] CCOC(=O)[C@]1(CC[C@@H](C1)[*:1])[NH2+]C1CC1
CCOC(=O)[C@@]1([NH2+]C2CC2)CC[C@@H](SC(C)C)C1 CC(C)[*:1] CCOC(=O)[C@]1(CC[C@H](C1)S[*:1])[NH2+]C1CC1
CCOC(=O)[C@@]1([NH2+]C2CC2)CC[C@@H](SC(C)C)C1 CCOC(=O)[*:1] CC(C)S[C@@H]1CC[C@@](C1)([NH2+]C1CC1)[*:1]
CCOC(=O)[C@@]1([NH2+]C2CC2)CC[C@@H](SC(C)C)C1 C1CC1[*:1] CCOC(=O)[C@]1(CC[C@H](C1)SC(C)C)[NH2+][*:1]
CCOc1cc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)ccc1O Clc1ccc(cc1)[*:1] CCOc1cc(ccc1O)[C@@H]1c2c(n[nH]c2C(=O)N1C)[*:1]
CCOc1cc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C)ccc1O CCO[*:1] CN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(O)c(c1)[*:1]
CCN(C(=O)NCc1cc(OC)nc2ccccc12)[C@@H](C)c1cccnc1 c1cncc(c1)[*:1] CCN(C(=O)NCc1cc(nc2ccccc12)OC)[C@@H](C)[*:1]
COc1cc(O[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])O[C@H]1CCC[C@H]([NH3+])C1
COc1ccccc1[C@@H](C#N)NC(=O)c1cc2cccc(Cl)c2o1 COc1ccccc1[*:1] N#C[C@@H](NC(=O)c1cc2cccc(Cl)c2o1)[*:1]
CC(=O)Nc1nc(C(=O)NCCNc2ncccn2)cs1 CC(=O)N[*:1] O=C(NCCNc1ncccn1)c1csc(n1)[*:1]
CC(=O)Nc1nc(C(=O)NCCNc2ncccn2)cs1 c1cnc(nc1)[*:1] CC(=O)Nc1nc(cs1)C(=O)NCCN[*:1]
CC(=O)Nc1nc(C(=O)NCCNc2ncccn2)cs1 c1cnc(nc1)N[*:1] CC(=O)Nc1nc(cs1)C(=O)NCC[*:1]
C[C@@H](NC(=O)Cc1ccc[nH]1)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)Cc1ccc[nH]1)C1(CCCC1)[*:1]
C[C@@H](NC(=O)Cc1ccc[nH]1)C1(N2CCOCC2)CCCC1 c1c[nH]c(c1)C[*:1] C[C@@H](NC(=O)[*:1])C1(CCCC1)N1CCOCC1
C[C@@H](NC(=O)Cc1ccc[nH]1)C1(N2CCOCC2)CCCC1 c1c[nH]c(c1)[*:1] C[C@@H](NC(=O)C[*:1])C1(CCCC1)N1CCOCC1
CCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2OCC)C1 CCC[*:1] CCOc1ccccc1O[C@@H]1CCC[C@@H](C1)[NH2+][*:1]
CCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2OCC)C1 CCO[*:1] CCC[NH2+][C@H]1CCC[C@H](C1)Oc1ccccc1[*:1]
COC(=O)CCCN(C)C(=O)Cc1ccc(C)nc1 COC(=O)C[*:1] Cc1ccc(cn1)CC(=O)N(C)CC[*:1]
COC(=O)CCCN(C)C(=O)Cc1ccc(C)nc1 COC(=O)CC[*:1] Cc1ccc(cn1)CC(=O)N(C)C[*:1]
COC(=O)CCCN(C)C(=O)Cc1ccc(C)nc1 COC(=O)[*:1] Cc1ccc(cn1)CC(=O)N(C)CCC[*:1]
CCNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O CCNC(=O)[*:1] O=C1[C@H](CCN1c1ccc(Cl)cc1)[*:1]
O=C(NCc1ccco1)C(=O)Nc1nc(-c2ccccc2)cs1 c1coc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1nc(cs1)-c1ccccc1
O=C(NCc1ccco1)C(=O)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(NCc1ccco1)C(=O)Nc1nc(cs1)[*:1]
O=C(NCc1ccco1)C(=O)Nc1nc(-c2ccccc2)cs1 c1coc(c1)C[*:1] O=C(Nc1nc(cs1)-c1ccccc1)C(=O)N[*:1]
CC(=O)c1ccc(Nc2nnc(-c3cccc(Br)c3)o2)cc1 Brc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)Nc1nnc(o1)[*:1]
CC(=O)c1ccc(Nc2nnc(-c3cccc(Br)c3)o2)cc1 CC(=O)[*:1] Brc1cccc(c1)-c1nnc(Nc2ccc(cc2)[*:1])o1
Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccccc4)cc2)N(CCO)C3=O)c1 c1ccc(cc1)CO[*:1] Cc1cc(C)c(O)c(c1)-c1n[nH]c2C(=O)N(CCO)[C@@H](c3ccc(cc3)[*:1])c12
Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccccc4)cc2)N(CCO)C3=O)c1 Cc1cc(C)c(O)c(c1)[*:1] O=C1c2[nH]nc(c2[C@H](c2ccc(cc2)OCc2ccccc2)N1CCO)[*:1]
Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccccc4)cc2)N(CCO)C3=O)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(O)c(c1)-c1n[nH]c2C(=O)N(CCO)[C@@H](c3ccc(cc3)OC[*:1])c12
Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccccc4)cc2)N(CCO)C3=O)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(O)c(c1)-c1n[nH]c2C(=O)N(CCO)[C@@H](c3ccc(cc3)O[*:1])c12
Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccccc4)cc2)N(CCO)C3=O)c1 OCC[*:1] Cc1cc(C)c(O)c(c1)-c1n[nH]c2C(=O)N([C@@H](c3ccc(cc3)OCc3ccccc3)c12)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(O)cc1)N(c1nnc(CC(C)C)s1)C3=O CC(C)Cc1nnc(s1)[*:1] Cc1cc2oc3C(=O)N([C@@H](c4ccc(O)cc4)c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(O)cc1)N(c1nnc(CC(C)C)s1)C3=O Oc1ccc(cc1)[*:1] Cc1cc2oc3C(=O)N(c4nnc(CC(C)C)s4)[C@@H](c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(O)cc1)N(c1nnc(CC(C)C)s1)C3=O CC(C)[*:1] Cc1cc2oc3C(=O)N(c4nnc(C[*:1])s4)[C@@H](c4ccc(O)cc4)c3c(=O)c2cc1C
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(O)cc1)N(c1nnc(CC(C)C)s1)C3=O CC(C)C[*:1] Cc1cc2oc3C(=O)N(c4nnc(s4)[*:1])[C@@H](c4ccc(O)cc4)c3c(=O)c2cc1C
C[C@@H](N[C@H](C)c1cccc2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](N[C@H](C)c1cccc2ccccc12)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(CNC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1 COc1ccc(cc1)[*:1] C[C@H]1C[C@H](NC(=O)NC[*:1])C(=O)N1c1ccccc1
COc1ccc(CNC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)N[C@H]1C[C@H](C)N(C1=O)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3nc(C)cs3)cc2C[C@H]1C Cc1csc(n1)NC(=O)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@H](Cc1ccccc1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3nc(C)cs3)cc2C[C@H]1C c1ccc(cc1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@H](C[*:1])C(=O)Nc1nc(C)cs1
CC(=O)N1c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3nc(C)cs3)cc2C[C@H]1C c1ccc(cc1)C[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@H](C(=O)Nc1nc(C)cs1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3nc(C)cs3)cc2C[C@H]1C Cc1csc(n1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[*:1]
COc1ccc(OCc2cscn2)c(CO)c1 c1nc(cs1)[*:1] COc1ccc(OC[*:1])c(c1)CO
O=C(Nc1nnc([C@@H]2CCCO2)s1)c1ccc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[C@@H]1CCCO1)c1ccc(s1)[*:1]
O=C(NCc1nnc2ccccn12)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 c1ccn2c(C[*:1])nnc2c1 O=C(N[*:1])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1
O=C(NCc1nnc2ccccn12)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 c1ccn2c(nnc2c1)[*:1] O=C(NC[*:1])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1
O=C(NCc1nnc2ccccn12)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1nnc2ccccn12)c1ccccc1[N-]S(=O)(=O)[*:1]
COc1ncccc1CNC(=O)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] COc1ncccc1CNC(=O)c1cc(on1)[*:1]
O=C(Cc1csc(NC(=O)c2cnccn2)n1)Nc1ccccc1 c1cnc(cn1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])Nc1ccccc1
O=C(Cc1csc(NC(=O)c2cnccn2)n1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)c1cnccn1)N[*:1]
CC(C)(C)N1C[C@@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC1=O Clc1ccc(cc1)OC[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
CC(C)(C)N1C[C@@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC1=O Clc1ccc(cc1)O[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)Nc1nnc(C[*:1])s1
CC(C)(C)N1C[C@@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC1=O Clc1ccc(cc1)[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)Nc1nnc(CO[*:1])s1
CC(C)(C)N1C[C@@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC1=O CC(C)(C)[*:1] O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H](CCc1cccn1C)NC(=O)N1CCCCC[C@@H]1c1ccco1 Cn1cccc1CC[*:1] C[C@@H](NC(=O)N1CCCCC[C@@H]1c1ccco1)[*:1]
C[C@@H](CCc1cccn1C)NC(=O)N1CCCCC[C@@H]1c1ccco1 Cn1cccc1[*:1] C[C@@H](CC[*:1])NC(=O)N1CCCCC[C@@H]1c1ccco1
C[C@@H](CCc1cccn1C)NC(=O)N1CCCCC[C@@H]1c1ccco1 Cn1cccc1C[*:1] C[C@@H](C[*:1])NC(=O)N1CCCCC[C@@H]1c1ccco1
C[C@@H](CCc1cccn1C)NC(=O)N1CCCCC[C@@H]1c1ccco1 c1coc(c1)[*:1] C[C@@H](CCc1cccn1C)NC(=O)N1CCCCC[C@H]1[*:1]
CCN(Cc1ccccc1NC(=O)NCc1ccccc1-n1ccnc1)C(C)=O CCN(C[*:1])C(C)=O O=C(NCc1ccccc1-n1ccnc1)Nc1ccccc1[*:1]
CCN(Cc1ccccc1NC(=O)NCc1ccccc1-n1ccnc1)C(C)=O c1cn(cn1)[*:1] CCN(Cc1ccccc1NC(=O)NCc1ccccc1[*:1])C(C)=O
CCN(Cc1ccccc1NC(=O)NCc1ccccc1-n1ccnc1)C(C)=O CCN(C(C)=O)[*:1] O=C(NCc1ccccc1-n1ccnc1)Nc1ccccc1C[*:1]
COc1ccc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)O[C@H](C)C(=O)Nc1ccnn1[*:1]
COc1ccc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1 COc1ccc(cc1)O[*:1] Cc1ccc(cc1)Cn1nccc1NC(=O)[C@@H](C)[*:1]
COc1ccc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1nccc1NC(=O)[C@@H](C)O[*:1]
COc1ccc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)O[C@H](C)C(=O)Nc1ccnn1C[*:1]
CCc1cnc(CN2CCO[C@@H](c3ccccc3Br)C2)o1 CCc1cnc(o1)[*:1] Brc1ccccc1[C@H]1CN(CCO1)C[*:1]
CCc1cnc(CN2CCO[C@@H](c3ccccc3Br)C2)o1 Brc1ccccc1[*:1] CCc1cnc(CN2CCO[C@@H](C2)[*:1])o1
CCC[NH2+][C@H](CC1CCOCC1)[C@@H]1CN2CCC[C@@H]2CO1 C1CC(CCO1)C[*:1] CCC[NH2+][C@H]([C@@H]1CN2CCC[C@@H]2CO1)[*:1]
CCC[NH2+][C@H](CC1CCOCC1)[C@@H]1CN2CCC[C@@H]2CO1 C1CC(CCO1)[*:1] CCC[NH2+][C@H](C[*:1])[C@@H]1CN2CCC[C@@H]2CO1
CCC[NH2+][C@H](CC1CCOCC1)[C@@H]1CN2CCC[C@@H]2CO1 CCC[*:1] C1C[C@@H]2CO[C@@H](CN2C1)[C@@H](CC1CCOCC1)[NH2+][*:1]
CC1(C)NC(=O)N(CCC(=O)N2CCC[C@H]2C(=O)[O-])C1=O O=C([O-])[*:1] CC1(C)NC(=O)N(CCC(=O)N2CCC[C@@H]2[*:1])C1=O
Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(nc1)[*:1]
CCOc1ccc(OCC)c(NC(=O)c2cc(C#N)cs2)c1 N#Cc1csc(c1)[*:1] CCOc1ccc(OCC)c(c1)NC(=O)[*:1]
CCOc1ccc(OCC)c(NC(=O)c2cc(C#N)cs2)c1 CCO[*:1] CCOc1ccc(cc1NC(=O)c1cc(C#N)cs1)[*:1]
CCOc1ccc(OCC)c(NC(=O)c2cc(C#N)cs2)c1 CCO[*:1] CCOc1ccc(c(c1)NC(=O)c1cc(C#N)cs1)[*:1]
Cc1cc(C[NH+](C)CCS(C)(=O)=O)oc1C[NH3+] CS(=O)(=O)C[*:1] Cc1cc(C[NH+](C)C[*:1])oc1C[NH3+]
Cc1cc(C[NH+](C)CCS(C)(=O)=O)oc1C[NH3+] CS(=O)(=O)[*:1] Cc1cc(C[NH+](C)CC[*:1])oc1C[NH3+]
CCN1C(=O)c2cccc3c(NC(=O)c4ccn(C)n4)ccc1c23 Cn1ccc(n1)[*:1] CCN1C(=O)c2cccc3c(ccc1c23)NC(=O)[*:1]
O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(NCCc1cnn(c1)-c1ccccc1)[*:1]
O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(F)cc1F c1ccc(cc1)[*:1] O=C(NCCc1cnn(c1)[*:1])c1ccc(F)cc1F
O=S(=O)(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)-c1cc2ccccc2[nH]1)[*:1]
CC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 O=C([O-])[*:1] CC[C@@H]1CCCN(C1)S(=O)(=O)c1cc(ccc1F)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 CC(C)C[C@@H](C)[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccc2OCC(=O)Nc2c1
CC(C)C[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 CC(C)C[*:1] C[C@@H](NC(=O)N(C)[C@H](C)[*:1])c1ccc2OCC(=O)Nc2c1
CC(C)C[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 CC(C)[*:1] C[C@@H](NC(=O)N(C)[C@H](C)C[*:1])c1ccc2OCC(=O)Nc2c1
CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 CC[C@@H](CO)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)C(=O)N[*:1]
CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cn1c([C@H]2CCCN(S(C)(=O)=O)C2)nn(CC(=O)Nc2ccccc2)c1=O O=C(Nc1ccccc1)[*:1] Cn1c(nn(C[*:1])c1=O)[C@H]1CCCN(C1)S(C)(=O)=O
Cn1c([C@H]2CCCN(S(C)(=O)=O)C2)nn(CC(=O)Nc2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1c(nn(CC(=O)N[*:1])c1=O)[C@H]1CCCN(C1)S(C)(=O)=O
CC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C)cc1)CC2=O CC(=O)N[*:1] Cc1ccc(cc1)[C@@H]1CC(=O)c2cnc(nc2C1)[*:1]
CC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C)cc1)CC2=O Cc1ccc(cc1)[*:1] CC(=O)Nc1ncc2C(=O)C[C@@H](Cc2n1)[*:1]
CC[NH2+]Cc1c(C)nn(C)c1Oc1ccccc1 c1ccc(cc1)[*:1] CC[NH2+]Cc1c(C)nn(C)c1O[*:1]
CC[C@](C)(NC(=O)/C=C/c1ccco1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)/C=C/c1ccco1)[*:1]
CC[C@](C)(NC(=O)/C=C/c1ccco1)C(=O)[O-] c1coc(c1)[*:1] CC[C@](C)(NC(=O)C=C[*:1])C(=O)[O-]
CCOCC1CCN(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 CCO[*:1] O=C(N[C@H]1CCC[C@H]1c1ccc(F)cc1)N1CCC(CC1)C[*:1]
CCOCC1CCN(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 CCOC[*:1] O=C(N[C@H]1CCC[C@H]1c1ccc(F)cc1)N1CCC(CC1)[*:1]
CCOCC1CCN(C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCOCC1CCN(CC1)C(=O)N[C@H]1CCC[C@@H]1[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)N[C@H](c1cc(F)ccc1F)C1CC1 Fc1ccc(F)c(c1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N[C@H](C1CC1)[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)N[C@H](c1cc(F)ccc1F)C1CC1 C1CC1[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N[C@H](c1cc(F)ccc1F)[*:1]
O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(-c2nnnn2C2CC2)c1 C1CC1[*:1] O=C(Cc1cc(Cl)c2OCCCOc2c1)Nc1cccc(c1)-c1nnnn1[*:1]
O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(-c2nnnn2C2CC2)c1 C1CC1n1nnnc1[*:1] O=C(Cc1cc(Cl)c2OCCCOc2c1)Nc1cccc(c1)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(C(N)=O)c(F)c1 NC(=O)[*:1] CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(c(F)c1)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(C(N)=O)c(F)c1 CC(C)[*:1] C[C@@](C#N)(NC(=O)CNc1ccc(C(N)=O)c(F)c1)[*:1]
COc1ccc(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)cc1 CN(C)[*:1] COc1ccc(cc1)CC(=O)N1CCC[C@@H](C1)c1nc(ncc1-c1cnn(C)c1)[*:1]
COc1ccc(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)cc1 Cn1cc(cn1)[*:1] COc1ccc(cc1)CC(=O)N1CCC[C@@H](C1)c1nc(ncc1[*:1])N(C)C
COc1ccc(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)cc1 COc1ccc(cc1)[*:1] CN(C)c1ncc(-c2cnn(C)c2)c(n1)[C@H]1CCCN(C1)C(=O)C[*:1]
COc1ccc(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)cc1 COc1ccc(cc1)C[*:1] CN(C)c1ncc(-c2cnn(C)c2)c(n1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc2ncc(C(=O)NCCCNC(=O)c3cccc(F)c3)n2c1 Fc1cccc(c1)[*:1] Cc1ccc2ncc(C(=O)NCCCNC(=O)[*:1])n2c1
COCCCn1cnnc1[C@H](C)Nc1nc(C)nc2c1cnn2C COCCC[*:1] Cc1nc(N[C@@H](C)c2nncn2[*:1])c2cnn(C)c2n1
COCCCn1cnnc1[C@H](C)Nc1nc(C)nc2c1cnn2C COCC[*:1] Cc1nc(N[C@@H](C)c2nncn2C[*:1])c2cnn(C)c2n1
COCCCn1cnnc1[C@H](C)Nc1nc(C)nc2c1cnn2C COC[*:1] Cc1nc(N[C@@H](C)c2nncn2CC[*:1])c2cnn(C)c2n1
C[C@@H](c1ccncc1)[C@@H](Cl)c1c(F)c(F)c(F)c(F)c1F c1cc(ccn1)[*:1] C[C@@H]([C@@H](Cl)c1c(F)c(F)c(F)c(F)c1F)[*:1]
CC(C)Cc1noc(C[NH+]2CCn3c(nn(C)c3=O)C2)n1 CC(C)[*:1] Cn1nc2C[NH+](CCn2c1=O)Cc1nc(C[*:1])no1
CC(C)Cc1noc(C[NH+]2CCn3c(nn(C)c3=O)C2)n1 CC(C)C[*:1] Cn1nc2C[NH+](CCn2c1=O)Cc1nc(no1)[*:1]
COC(=O)c1cc(C[NH+]2[C@@H](C)CC[C@@H]2C)c[nH]1 COC(=O)[*:1] C[C@H]1CC[C@H](C)[NH+]1Cc1c[nH]c(c1)[*:1]
O=C1CCC(=O)N1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 O=[N+]([O-])[*:1] O=C1CCC(=O)N1CCNc1ccc(c(c1)OC(F)F)[*:1]
O=C1CCC(=O)N1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 FC(F)O[*:1] O=C1CCC(=O)N1CCNc1ccc(c(c1)[*:1])[N+](=O)[O-]
O=C1CCC(=O)N1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 FC(F)[*:1] O=C1CCC(=O)N1CCNc1ccc(c(c1)O[*:1])[N+](=O)[O-]
O=C1CCC(=O)N1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 O=C1CCC(=O)N1[*:1] O=[N+]([O-])c1ccc(cc1OC(F)F)NCC[*:1]
CS(=O)(=O)CC[NH2+]Cc1cccc(C2CC2)c1 CS(=O)(=O)C[*:1] c1cc(cc(c1)C1CC1)C[NH2+]C[*:1]
CS(=O)(=O)CC[NH2+]Cc1cccc(C2CC2)c1 C1CC1[*:1] CS(=O)(=O)CC[NH2+]Cc1cccc(c1)[*:1]
CS(=O)(=O)CC[NH2+]Cc1cccc(C2CC2)c1 CS(=O)(=O)[*:1] c1cc(cc(c1)C1CC1)C[NH2+]CC[*:1]
COCCNC(=O)c1cccc(C(=O)OC)c1 COC(=O)[*:1] COCCNC(=O)c1cccc(c1)[*:1]
COCCNC(=O)c1cccc(C(=O)OC)c1 COC[*:1] COC(=O)c1cccc(c1)C(=O)NC[*:1]
COCCNC(=O)c1cccc(C(=O)OC)c1 COCC[*:1] COC(=O)c1cccc(c1)C(=O)N[*:1]
COc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])[C@@H]1NC(=O)c2c(N1)sc1C[C@@H](C)CCc12
CC[C@@H](CCO)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 OCC[*:1] CC[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)[*:1]
CC[C@@H](CCO)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 CC[C@@H](CCO)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)N[*:1]
CC[C@@H](CCO)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 C1CC(C1)[*:1] CC[C@@H](CCO)NC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
CC[C@@H](CCO)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 Clc1ccc(cc1)[*:1] CC[C@@H](CCO)NC(=O)N[C@@H](C1CCC1)[*:1]
O=C(CCc1nccs1)N1CCCC[C@H]1Cn1cccn1 c1csc(C[*:1])n1 O=C(C[*:1])N1CCCC[C@H]1Cn1cccn1
O=C(CCc1nccs1)N1CCCC[C@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C(CCc1nccs1)N1CCCC[C@@H]1[*:1]
O=C(CCc1nccs1)N1CCCC[C@H]1Cn1cccn1 c1csc(CC[*:1])n1 O=C(N1CCCC[C@H]1Cn1cccn1)[*:1]
O=C(CCc1nccs1)N1CCCC[C@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C(CCc1nccs1)N1CCCC[C@H]1C[*:1]
O=C(CCc1nccs1)N1CCCC[C@H]1Cn1cccn1 c1csc(n1)[*:1] O=C(CC[*:1])N1CCCC[C@H]1Cn1cccn1
Cc1cc(C)c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccn(C)c2)cc1C Cn1ccc(c1)[*:1] Cc1cc(C)c(cc1C)[C@H](C)[NH2+]CCNS(=O)(=O)[*:1]
O=C(CCCCO)Nc1ccccc1Oc1ccccc1 OCC[*:1] O=C(CC[*:1])Nc1ccccc1Oc1ccccc1
O=C(CCCCO)Nc1ccccc1Oc1ccccc1 OCCCC[*:1] O=C(Nc1ccccc1Oc1ccccc1)[*:1]
O=C(CCCCO)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(CCCCO)Nc1ccccc1[*:1]
O=C(CCCCO)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(CCCCO)Nc1ccccc1O[*:1]
O=C(CCCCO)Nc1ccccc1Oc1ccccc1 OCCC[*:1] O=C(C[*:1])Nc1ccccc1Oc1ccccc1
CC[C@@H](c1ccncc1)N(CC)CN1C(=O)[C@H]2CCC[C@H]21 c1cc(ccn1)[*:1] CC[C@@H](N(CC)CN1C(=O)[C@H]2CCC[C@H]21)[*:1]
CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O Clc1cccc(c1)[*:1] CC[C@H](C(=O)NCc1ccc(C)cc1)N(S(C)(=O)=O)[*:1]
CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O Cc1ccc(cc1)[*:1] CC[C@H](C(=O)NC[*:1])N(c1cccc(Cl)c1)S(C)(=O)=O
CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O Cc1ccc(cc1)C[*:1] CC[C@H](C(=O)N[*:1])N(c1cccc(Cl)c1)S(C)(=O)=O
CCc1cnc([C@H](C)NC(=O)c2cccc(OC)c2F)s1 CCc1cnc(s1)[*:1] COc1cccc(C(=O)N[C@@H](C)[*:1])c1F
C[NH+]1CCc2c(sc(NC(=O)c3ccccc3F)c2C#N)C1 Fc1ccccc1[*:1] C[NH+]1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
CC(C)c1n[nH]c(/N=C(\[O-])[C@H]2SCCc3ccccc32)n1 CC(C)[*:1] [O-]/C(=N\c1nc(n[nH]1)[*:1])[C@H]1SCCc2ccccc21
CNc1ccc(CN2C[C@H](O)C[C@H]2C(=O)OC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])CN1C[C@H](O)C[C@H]1C(=O)OC
CNc1ccc(CN2C[C@H](O)C[C@H]2C(=O)OC)cc1[N+](=O)[O-] COC(=O)[*:1] CNc1ccc(cc1[N+](=O)[O-])CN1C[C@H](O)C[C@@H]1[*:1]
Cn1nc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)ccc1=O Cn1nc(ccc1=O)[*:1] O=C(Nc1ccc(cc1)-c1cc2ccccc2o1)[*:1]
CC[C@](C)([NH3+])C(=O)N(Cc1cccnc1)C1CC1 c1cncc(c1)[*:1] CC[C@](C)([NH3+])C(=O)N(C[*:1])C1CC1
CC[C@](C)([NH3+])C(=O)N(Cc1cccnc1)C1CC1 C1CC1[*:1] CC[C@](C)([NH3+])C(=O)N(Cc1cccnc1)[*:1]
Cc1cc(OCCCn2c([C@@H]3CC(=O)N(C)C3)nc3ccccc32)ccc1Cl Cc1cc(ccc1Cl)O[*:1] CN1C[C@@H](CC1=O)c1nc2ccccc2n1CCC[*:1]
Cc1cc(OCCCn2c([C@@H]3CC(=O)N(C)C3)nc3ccccc32)ccc1Cl Cc1cc(ccc1Cl)[*:1] CN1C[C@@H](CC1=O)c1nc2ccccc2n1CCCO[*:1]
COc1ccc(C(N)=O)c(OCc2cc(=O)n3ccsc3n2)c1 NC(=O)[*:1] COc1ccc(c(c1)OCc1cc(=O)n2ccsc2n1)[*:1]
CC(C)COc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1Cl CC(C)CO[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1ccccc1S(=O)(=O)N1CCOCC1
CC(C)COc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1Cl CC(C)[*:1] O=C(Nc1ccc(OC[*:1])c(Cl)c1)c1ccccc1S(=O)(=O)N1CCOCC1
CC(C)COc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1Cl O=S(=O)(N1CCOCC1)[*:1] CC(C)COc1ccc(cc1Cl)NC(=O)c1ccccc1[*:1]
CC(C)COc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1Cl CC(C)C[*:1] O=C(Nc1ccc(O[*:1])c(Cl)c1)c1ccccc1S(=O)(=O)N1CCOCC1
O=C(OCc1ccccc1)N1CCC[C@@H](c2cc(Cl)n3nccc3n2)C1 c1ccc(cc1)[*:1] O=C(OC[*:1])N1CCC[C@H](C1)c1cc(Cl)n2nccc2n1
O=C(OCc1ccccc1)N1CCC[C@@H](c2cc(Cl)n3nccc3n2)C1 c1ccc(cc1)C[*:1] O=C(O[*:1])N1CCC[C@H](C1)c1cc(Cl)n2nccc2n1
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(=O)n(Cc2ccc(F)cc2)n1 O=[N+]([O-])c1ccccc1[*:1] O=C(N[*:1])c1ccc(=O)n(Cc2ccc(F)cc2)n1
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(=O)n(Cc2ccc(F)cc2)n1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1[*:1])c1ccc(=O)n(Cc2ccc(F)cc2)n1
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(=O)n(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(=O)n(n1)[*:1]
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(=O)n(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(=O)n(C[*:1])n1
COc1cccc(-c2cc(C(=O)N[C@H](C)c3cnn(C)c3C)c3c(C)nn(C)c3n2)c1 COc1cccc(c1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N[C@H](C)c3cnn(C)c3C)c12)[*:1]
COc1cccc(-c2cc(C(=O)N[C@H](C)c3cnn(C)c3C)c3c(C)nn(C)c3n2)c1 Cc1c(cnn1C)[*:1] COc1cccc(c1)-c1cc(C(=O)N[C@H](C)[*:1])c2c(C)nn(C)c2n1
Cc1cc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2F)no1 Fc1ccccc1[*:1] Cc1cc(no1)NC(=O)CSc1nc2ccccc2n1C[*:1]
Cc1cc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2F)no1 Cc1cc(no1)[*:1] O=C(CSc1nc2ccccc2n1Cc1ccccc1F)N[*:1]
Cc1cc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2F)no1 Fc1ccccc1C[*:1] Cc1cc(no1)NC(=O)CSc1nc2ccccc2n1[*:1]
Cc1cc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2F)no1 Cc1cc(no1)NC(=O)[*:1] Fc1ccccc1Cn1c(nc2ccccc21)SC[*:1]
CCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 CCO[*:1] C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(cc2)[*:1])[C@H]1C
COCC[NH+](CC(N)=O)Cc1cccc(F)c1 NC(=O)[*:1] COCC[NH+](Cc1cccc(F)c1)C[*:1]
COCC[NH+](CC(N)=O)Cc1cccc(F)c1 COC[*:1] NC(=O)C[NH+](Cc1cccc(F)c1)C[*:1]
COCC[NH+](CC(N)=O)Cc1cccc(F)c1 COCC[*:1] NC(=O)C[NH+](Cc1cccc(F)c1)[*:1]
COCC[NH+](CC(N)=O)Cc1cccc(F)c1 NC(=O)C[*:1] COCC[NH+](Cc1cccc(F)c1)[*:1]
CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)c2ccc3C(=O)N(Cc4ccco4)C(=O)c3c2)[C@H](C1)[*:1]
CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)[C@H](c2ccccc2)C1 c1coc(c1)C[*:1] CN1CCN(C(=O)c2ccc3C(=O)N(C(=O)c3c2)[*:1])[C@@H](C1)c1ccccc1
CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)[C@H](c2ccccc2)C1 c1coc(c1)[*:1] CN1CCN(C(=O)c2ccc3C(=O)N(C[*:1])C(=O)c3c2)[C@@H](C1)c1ccccc1
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 CC(C)[*:1] N#C[C@@H](N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 CC(C)[C@@H](C#N)[*:1] O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
O=C(NC1=c2ccccc2=[NH+]C1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NC1C[NH+]=c2ccccc2=1)N1CCN(CC1)[*:1]
COC1CC[NH+](CCNC(=O)c2cnn(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] COC1CC[NH+](CCNC(=O)c2cnn(n2)[*:1])CC1
Cc1ccc2[nH+]c(CN3CCN(C(=O)C4CCCC4)CC3)cn2c1 C1CCC(C1)[*:1] Cc1ccc2[nH+]c(cn2c1)CN1CCN(CC1)C(=O)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 CC(C)C[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)N[C@H](C[NH+](C)C)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 CC(=O)N[*:1] CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 CC(C)[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)N[C@@H](C[NH+](C)C)C[*:1]
C[C@@H](CC(=O)N1CCN([C@H](C)C(N)=O)CC1)Cc1ccc(Cl)cc1 NC(=O)[*:1] C[C@@H](CC(=O)N1CCN(CC1)[C@H](C)[*:1])Cc1ccc(Cl)cc1
C[C@@H](CC(=O)N1CCN([C@H](C)C(N)=O)CC1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)N1CCN(CC1)[C@H](C)C(N)=O)C[*:1]
C[C@@H](CC(=O)N1CCN([C@H](C)C(N)=O)CC1)Cc1ccc(Cl)cc1 C[C@H](C(N)=O)[*:1] C[C@@H](CC(=O)N1CCN(CC1)[*:1])Cc1ccc(Cl)cc1
C[C@@H](CC(=O)N1CCN([C@H](C)C(N)=O)CC1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@H](C(N)=O)N1CCN(CC1)C(=O)C[C@H](C)[*:1]
CC(C)C[C@H](C(=O)N[C@@H](C)c1nc2ccccc2n1C)N1CCCCC1=O CC(C)[*:1] C[C@H](NC(=O)[C@@H](C[*:1])N1CCCCC1=O)c1nc2ccccc2n1C
CC(C)C[C@H](C(=O)N[C@@H](C)c1nc2ccccc2n1C)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@H](C(=O)N[C@@H](C)c1nc2ccccc2n1C)[*:1]
CC(C)C[C@H](C(=O)N[C@@H](C)c1nc2ccccc2n1C)N1CCCCC1=O CC(C)C[*:1] C[C@H](NC(=O)[C@H](N1CCCCC1=O)[*:1])c1nc2ccccc2n1C
Cn1c(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)n[nH]c1=S Cn1c(n[nH]c1=S)[*:1] O=C(c1ccc2cc[nH]c2c1)N1CCC(CC1)[*:1]
C#CCN1CCN(C[C@@H](O)COc2ccccc2C)CC1 C#CC[*:1] Cc1ccccc1OC[C@H](O)CN1CCN(CC1)[*:1]
C#CCN1CCN(C[C@@H](O)COc2ccccc2C)CC1 Cc1ccccc1[*:1] C#CCN1CCN(CC1)C[C@@H](O)CO[*:1]
CC(C)N(C)c1ccc(NC(=O)Nc2cnn(CC(F)F)c2)cc1F FC(F)[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)Nc1cnn(c1)C[*:1]
CC(C)N(C)c1ccc(NC(=O)Nc2cnn(CC(F)F)c2)cc1F CC(C)[*:1] CN(c1ccc(cc1F)NC(=O)Nc1cnn(c1)CC(F)F)[*:1]
CC(C)N(C)c1ccc(NC(=O)Nc2cnn(CC(F)F)c2)cc1F CC(C)N(C)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])Nc1cnn(c1)CC(F)F
CC(C)N(C)c1ccc(NC(=O)Nc2cnn(CC(F)F)c2)cc1F FC(F)C[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)Nc1cnn(c1)[*:1]
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1nc2c(cc1C#N)CCC2 Cc1ccsc1[*:1] N#Cc1cc2CCCc2nc1NC(=O)[C@H]1C[C@@H]1[*:1]
O=C(COc1ccccc1F)N1CC(C(=O)N2CCC3(CC2)OCCO3)C1 Fc1ccccc1OC[*:1] O=C(C1CN(C1)C(=O)[*:1])N1CCC2(CC1)OCCO2
O=C(COc1ccccc1F)N1CC(C(=O)N2CCC3(CC2)OCCO3)C1 Fc1ccccc1O[*:1] O=C(C[*:1])N1CC(C1)C(=O)N1CCC2(CC1)OCCO2
O=C(COc1ccccc1F)N1CC(C(=O)N2CCC3(CC2)OCCO3)C1 Fc1ccccc1[*:1] O=C(CO[*:1])N1CC(C1)C(=O)N1CCC2(CC1)OCCO2
CC/[NH+]=C(/NCCc1sc(C)nc1C)N1CC[C@@H]([NH+]2CCCC2)C1 Cc1nc(C)c(C[*:1])s1 CC/[NH+]=C(/NC[*:1])N1CC[C@H](C1)[NH+]1CCCC1
CC/[NH+]=C(/NCCc1sc(C)nc1C)N1CC[C@@H]([NH+]2CCCC2)C1 Cc1nc(C)c(s1)[*:1] CC/[NH+]=C(/NCC[*:1])N1CC[C@H](C1)[NH+]1CCCC1
CN(C)c1cccc(C(=O)Nc2ccc([C@H]3C=c4ccccc4=[NH+]3)cc2)c1 CN(C)[*:1] O=C(Nc1ccc(cc1)[C@H]1C=c2ccccc2=[NH+]1)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)Nc2ccc([C@H]3C=c4ccccc4=[NH+]3)cc2)c1 CN(C)c1cccc(c1)[*:1] O=C(Nc1ccc(cc1)[C@H]1C=c2ccccc2=[NH+]1)[*:1]
CCc1nc2sc([C@@H](c3cccs3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 c1csc(c1)[*:1] CCc1nc2sc(c([O-])n2n1)[C@@H](N1CCN(CC1)c1ccccc1)[*:1]
CCc1nc2sc([C@@H](c3cccs3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 c1ccc(cc1)[*:1] CCc1nc2sc(c([O-])n2n1)[C@@H](c1cccs1)N1CCN(CC1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 c1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N([C@H](C)C1CC1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 C1CC1[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 CC(=O)[*:1] C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(C[*:1])[C@H](C)C1CC1
C[C@@H]1CC(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)C[C@@H](C)O1 Clc1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N(CC[NH+]1CCCC1)C[*:1]
C[C@@H]1CC(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)C[C@@H](C)O1 Clc1ccc(cc1)C[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N(CC[NH+]1CCCC1)[*:1]
CCCCn1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21 CCCC[*:1] N#C/C(=C\c1cn(c2ccccc12)[*:1])C(=O)Nc1ccccc1
CCCCn1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21 CCC[*:1] N#C/C(=C\c1cn(C[*:1])c2ccccc12)C(=O)Nc1ccccc1
CCCCn1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CCCCn1cc(/C=C(\C#N)C(=O)N[*:1])c2ccccc21
CO[C@@]1(C)C[C@@H]([NH2+]CCCOC2CCOCC2)C1(C)C C1CC(CCO1)[*:1] CO[C@@]1(C)C[C@@H]([NH2+]CCCO[*:1])C1(C)C
COc1ccc(C2(C(=O)Nc3cc4c(cc3Br)OCCO4)CCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cc2OCCOc2cc1Br)C1(CCCCC1)[*:1]
COC(=O)c1ccccc1C(=O)NCc1cc(-c2cccc(OC)c2)on1 COC(=O)[*:1] COc1cccc(c1)-c1cc(CNC(=O)c2ccccc2[*:1])no1
COC(=O)c1ccccc1C(=O)NCc1cc(-c2cccc(OC)c2)on1 COc1cccc(c1)[*:1] COC(=O)c1ccccc1C(=O)NCc1cc(on1)[*:1]
O=C(OCc1ccccn1)c1ccc(-n2cncn2)cc1 c1ccc(nc1)[*:1] O=C(OC[*:1])c1ccc(cc1)-n1cncn1
O=C(OCc1ccccn1)c1ccc(-n2cncn2)cc1 c1ccc(C[*:1])nc1 O=C(O[*:1])c1ccc(cc1)-n1cncn1
O=C(OCc1ccccn1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] O=C(OCc1ccccn1)c1ccc(cc1)[*:1]
Cc1nc(NC(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)sc1C CC(C)(C)OC(=O)[*:1] Cc1nc(NC(=O)N[C@H](Cc2ccccc2)[*:1])sc1C
Cc1nc(NC(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)sc1C CC(C)(C)[*:1] Cc1nc(NC(=O)N[C@H](Cc2ccccc2)C(=O)O[*:1])sc1C
Cc1nc(NC(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)sc1C c1ccc(cc1)C[*:1] Cc1nc(NC(=O)N[C@H](C(=O)OC(C)(C)C)[*:1])sc1C
Cc1nc(NC(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)sc1C c1ccc(cc1)[*:1] Cc1nc(NC(=O)N[C@H](C[*:1])C(=O)OC(C)(C)C)sc1C
Cc1nc(NC(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)sc1C Cc1nc(sc1C)[*:1] CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)N[*:1]
C/C=C/CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 C/C=C/C[*:1] N#Cc1ccccc1Oc1ccc(cc1F)NC(=O)C(=O)NC[*:1]
C/C=C/CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 C/C=C/CC[*:1] N#Cc1ccccc1Oc1ccc(cc1F)NC(=O)C(=O)N[*:1]
C/C=C/CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 N#Cc1ccccc1O[*:1] C/C=C/CCNC(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
C/C=C/CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 N#Cc1ccccc1[*:1] C/C=C/CCNC(=O)C(=O)Nc1ccc(O[*:1])c(F)c1
C/C=C/CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 CC=C[*:1] N#Cc1ccccc1Oc1ccc(cc1F)NC(=O)C(=O)NCC[*:1]
COc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)C[C@H](C)C2 c1ccc(cc1)[*:1] COc1ccccc1Nc1nn(c2C[C@@H](C)CC(=O)c12)[*:1]
COc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)C[C@H](C)C2 COc1ccccc1[*:1] C[C@H]1CC(=O)c2c(nn(-c3ccccc3)c2C1)N[*:1]
COc1ccccc1/C=C/C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 COc1ccccc1[*:1] CN(C(=O)c1cccc(c1)NC(=O)C=C[*:1])c1ccccc1
COc1ccccc1/C=C/C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccccc1/C=C/C(=O)Nc1cccc(c1)C(=O)N(C)[*:1]
O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cc(C2CC2)on1 C1CC1[*:1] O=C(NCCNc1ncc(cc1Cl)C(F)(F)F)c1cc(on1)[*:1]
O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cc(C2CC2)on1 c1c(noc1C1CC1)[*:1] O=C(NCCNc1ncc(cc1Cl)C(F)(F)F)[*:1]
O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cc(C2CC2)on1 FC(F)(F)[*:1] O=C(NCCNc1ncc(cc1Cl)[*:1])c1cc(on1)C1CC1
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c1 Brc1ccc(nc1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
O=C(C(c1ccccc1)c1ccccc1)n1cnc2ccccc21 c1ccc(cc1)[*:1] O=C(C(c1ccccc1)[*:1])n1cnc2ccccc21
O=c1[nH]c([O-])nc(/C=C\C2=c3ccccc3=[NH+]C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] O=c1[nH]c([O-])nc(/C=C\C2C[NH+]=c3ccccc3=2)c1[*:1]
COC(=O)CNC(=O)CCc1ccc(F)c(F)c1 COC(=O)[*:1] O=C(CCc1ccc(F)c(F)c1)NC[*:1]
COC(=O)CNC(=O)CCc1ccc(F)c(F)c1 COC(=O)C[*:1] O=C(CCc1ccc(F)c(F)c1)N[*:1]
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCc2ccccc21 CC(C)[*:1] O=C(Cc1ccccc1)N[C@H](C(=O)N1CCc2ccccc21)[*:1]
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCc2ccccc21 c1ccc(cc1)C[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCc2ccccc21
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCc2ccccc21 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C[*:1])C(=O)N1CCc2ccccc21
CC(C)([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C(=O)Nc1ccccc1 Fc1ccc(cc1F)[*:1] CC(C)([NH2+]CC(=O)Nc1nc(cs1)[*:1])C(=O)Nc1ccccc1
CC(C)([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)([NH2+]CC(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1)C(=O)N[*:1]
CC(C)([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] CC(C)([NH2+]CC(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1)[*:1]
O=c1c2ccccc2nc(SCc2cccnc2)n1C1CCCCC1 c1cncc(c1)[*:1] O=c1c2ccccc2nc(SC[*:1])n1C1CCCCC1
O=c1c2ccccc2nc(SCc2cccnc2)n1C1CCCCC1 C1CCC(CC1)[*:1] O=c1c2ccccc2nc(SCc2cccnc2)n1[*:1]
O=c1c2ccccc2nc(SCc2cccnc2)n1C1CCCCC1 c1cncc(c1)C[*:1] O=c1c2ccccc2nc(S[*:1])n1C1CCCCC1
O=c1c2ccccc2nc(SCc2cccnc2)n1C1CCCCC1 c1cncc(c1)CS[*:1] O=c1c2ccccc2nc(n1C1CCCCC1)[*:1]
CCOc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 CCOc1ccc(cc1)[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
CCOc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 CCO[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C Cc1ccccc1[C@@H](C)[*:1] Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[*:1]
Cc1ccccc1[C@@H](C)NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C Cc1ccccc1[*:1] Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C)[*:1]
COc1cccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)[NH+](C)C)c1 Clc1cc(Br)ccc1[*:1] COc1cccc(c1)[C@H](CNS(=O)(=O)[*:1])[NH+](C)C
COc1cccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)[*:1]
Cc1ccc(-c2nc(C)sc2CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(C)sc1CC(=O)N1CCN(CC1)C(=O)N[*:1]
Cc1ccc(-c2nc(C)sc2CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(c(CC(=O)N2CCN(CC2)C(=O)Nc2ccccc2)s1)[*:1]
CCC1(CNC(=O)N(C)Cc2ncnn2C)CC1 Cn1ncnc1[*:1] CCC1(CC1)CNC(=O)N(C)C[*:1]
CCC1(CNC(=O)N(C)Cc2ncnn2C)CC1 CCC1(CC1)C[*:1] CN(Cc1ncnn1C)C(=O)N[*:1]
CCC1(CNC(=O)N(C)Cc2ncnn2C)CC1 CCC1(CC1)[*:1] CN(Cc1ncnn1C)C(=O)NC[*:1]
CCN(C(C)=O)c1nc(/C=C2\Oc3cc(O)ccc3C2=O)cs1 CCN(C(C)=O)[*:1] O=C1/C(=C/c2csc(n2)[*:1])Oc2cc(O)ccc21
O=C(NO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NO[C@@H]1CCCCO1)c1ccc(cc1)[*:1]
O=C(NO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 C1CC[C@H](OC1)[*:1] O=C(NO[*:1])c1ccc(cc1)[N+](=O)[O-]
COCCN1CCN(Cc2ccccc2Br)CC1=O COCC[*:1] O=C1CN(CCN1[*:1])Cc1ccccc1Br
COCCN1CCN(Cc2ccccc2Br)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])Cc1ccccc1Br
CO[C@H](C[NH2+][C@H](c1cccs1)C1CC1)C(C)(C)C CC(C)(C)[*:1] CO[C@H](C[NH2+][C@H](c1cccs1)C1CC1)[*:1]
CO[C@H](C[NH2+][C@H](c1cccs1)C1CC1)C(C)(C)C C1CC1[*:1] CO[C@H](C[NH2+][C@H](c1cccs1)[*:1])C(C)(C)C
CO[C@H](C[NH2+][C@H](c1cccs1)C1CC1)C(C)(C)C c1csc(c1)[*:1] CO[C@H](C[NH2+][C@H](C1CC1)[*:1])C(C)(C)C
O=C(c1cccc(-n2cnnc2)c1)N1CCC(N2CCOC2=O)CC1 O=C1OCCN1[*:1] O=C(c1cccc(c1)-n1cnnc1)N1CCC(CC1)[*:1]
O=C(c1cccc(-n2cnnc2)c1)N1CCC(N2CCOC2=O)CC1 c1nncn1[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)N1CCOC1=O
O=C(Nc1nc2ccccc2[nH]1)c1ccc(CS(=O)(=O)c2ccccc2)o1 O=S(=O)(c1ccccc1)[*:1] O=C(Nc1nc2ccccc2[nH]1)c1ccc(C[*:1])o1
O=C(Nc1nc2ccccc2[nH]1)c1ccc(CS(=O)(=O)c2ccccc2)o1 c1ccc2[nH]c(nc2c1)[*:1] O=C(N[*:1])c1ccc(CS(=O)(=O)c2ccccc2)o1
O=C(Nc1nc2ccccc2[nH]1)c1ccc(CS(=O)(=O)c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(Nc1nc2ccccc2[nH]1)c1ccc(CS(=O)(=O)[*:1])o1
CC(C)Oc1ncnc(OCC[NH+](C)C)c1N CC(C)[*:1] C[NH+](C)CCOc1ncnc(O[*:1])c1N
CC(C)Oc1ncnc(OCC[NH+](C)C)c1N CC(C)O[*:1] C[NH+](C)CCOc1ncnc(c1N)[*:1]
COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(NC(=S)N[C@@H](C)[*:1])c(c1)OC
CC(C)CCC(=O)N1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 CC(C)C[*:1] C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCN(CC1)C(=O)C[*:1]
CC(C)CCC(=O)N1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 CC(C)CC[*:1] C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCN(CC1)C(=O)[*:1]
CC(C)CCC(=O)N1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 CC(C)[*:1] C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCN(CC1)C(=O)CC[*:1]
C#CCN1CCN(CC(=O)N(CC)Cc2ccccc2)CC1 C#CC[*:1] CCN(Cc1ccccc1)C(=O)CN1CCN(CC1)[*:1]
C#CCN1CCN(CC(=O)N(CC)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C#CCN1CCN(CC1)CC(=O)N(CC)[*:1]
C#CCN1CCN(CC(=O)N(CC)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C#CCN1CCN(CC1)CC(=O)N(CC)C[*:1]
CN(C)C(=O)CCc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CN(C)C(=O)CCc1cccc(c1)NC(=S)NC(=O)[*:1]
CN(C)C(=O)CCc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 CN(C)C(=O)[*:1] O=C(NC(=S)Nc1cccc(c1)CC[*:1])c1ccc(Cl)cc1
CN(C)C(=O)CCc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 CN(C)C(=O)CC[*:1] O=C(NC(=S)Nc1cccc(c1)[*:1])c1ccc(Cl)cc1
CN(C)C(=O)CCc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 CN(C)C(=O)C[*:1] O=C(NC(=S)Nc1cccc(c1)C[*:1])c1ccc(Cl)cc1
Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)cc1C Cc1ccc(cc1C)O[*:1] C[C@@H](C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](O[*:1])C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1
Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2)cc1C Clc1ccc(cc1)[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)NNC(=S)NC(=O)[*:1]
CN(C)c1ccc(-c2nnn(CC(=O)N3CCCCCC3)n2)cc1 CN(C)[*:1] O=C(Cn1nnc(n1)-c1ccc(cc1)[*:1])N1CCCCCC1
CC1=NC(c2ccncc2)=NC(=O)[C@@H]1CC(=O)NCc1cccc(N(C)C)c1 CN(C)[*:1] CC1=NC(=NC(=O)[C@@H]1CC(=O)NCc1cccc(c1)[*:1])c1ccncc1
CC1=NC(c2ccncc2)=NC(=O)[C@@H]1CC(=O)NCc1cccc(N(C)C)c1 CN(C)c1cccc(c1)[*:1] CC1=NC(=NC(=O)[C@@H]1CC(=O)NC[*:1])c1ccncc1
CC1=NC(c2ccncc2)=NC(=O)[C@@H]1CC(=O)NCc1cccc(N(C)C)c1 c1cc(ccn1)[*:1] CC1=NC(=NC(=O)[C@@H]1CC(=O)NCc1cccc(c1)N(C)C)[*:1]
CSCC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)[O-] CSC[*:1] Cc1c(CC(=O)N[C@@H](C[*:1])C(=O)[O-])c(=O)oc2cc(O)c(Cl)cc12
CSCC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)[O-] O=C([O-])[*:1] CSCC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)[*:1]
CSCC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(O)cc2oc1=O)C(=O)[O-] CSCC[*:1] Cc1c(CC(=O)N[C@H](C(=O)[O-])[*:1])c(=O)oc2cc(O)c(Cl)cc12
COCc1ccccc1N[C@H](C)C[C@H]1CCCC[NH2+]1 COC[*:1] C[C@H](C[C@H]1CCCC[NH2+]1)Nc1ccccc1[*:1]
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 O=[N+]([O-])[*:1] O=C(c1cc(ccc1Cl)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(c1cc(ccc1Cl)[N+](=O)[O-])N1CCN(CC1)C[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 Cc1n[nH]c(C)c1C[*:1] C[C@@H](C(=O)N[C@@H]1CCN(C1)c1c(F)cccc1F)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H]1CCN(C1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)N[C@@H]1CCN(C1)c1c(F)cccc1F
CNC(=O)c1ccc(NCC(C)(C)C[NH+](C)C)[nH+]n1 CNC(=O)[*:1] C[NH+](C)CC(C)(C)CNc1ccc(n[nH+]1)[*:1]
COc1ccccc1/C=c1\s/c(=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)n(-c2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] COc1ccccc1/C=c1\s/c(=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)n(c1=O)[*:1]
COc1ccccc1/C=c1\s/c(=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)n(-c2ccc(F)cc2)c1=O COc1ccccc1[*:1] C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=c1\sc(=C[*:1])c(=O)n1-c1ccc(F)cc1
O=C([O-])c1cnc2c(ccn2C2CCCCC2)c1 O=C([O-])[*:1] c1nc2c(ccn2C2CCCCC2)cc1[*:1]
O=C([O-])c1cnc2c(ccn2C2CCCCC2)c1 C1CCC(CC1)[*:1] O=C([O-])c1cnc2c(ccn2[*:1])c1
CC[C@H](C#N)OC(=O)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1[*:1] CC[C@H](C#N)OC(=O)c1ccc(C[*:1])o1
CCCC[C@H](C(=O)[O-])[C@](C)(O)c1ccc(Cl)c(Cl)c1 O=C([O-])[*:1] CCCC[C@H]([C@](C)(O)c1ccc(Cl)c(Cl)c1)[*:1]
CCCC[C@H](C(=O)[O-])[C@](C)(O)c1ccc(Cl)c(Cl)c1 CCC[*:1] C[C@@](O)(c1ccc(Cl)c(Cl)c1)[C@H](C[*:1])C(=O)[O-]
CCCC[C@H](C(=O)[O-])[C@](C)(O)c1ccc(Cl)c(Cl)c1 CCCC[*:1] C[C@@](O)(c1ccc(Cl)c(Cl)c1)[C@@H](C(=O)[O-])[*:1]
CCn1c(-c2ccccc2)nnc1[S@](=O)Cc1ncc(C)o1 Cc1cnc(C[*:1])o1 CCn1c(nnc1[S@](=O)[*:1])-c1ccccc1
CCn1c(-c2ccccc2)nnc1[S@](=O)Cc1ncc(C)o1 Cc1cnc(o1)[*:1] CCn1c(nnc1[S@](=O)C[*:1])-c1ccccc1
CCn1c(-c2ccccc2)nnc1[S@](=O)Cc1ncc(C)o1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])[S@](=O)Cc1ncc(C)o1
COC[C@H](C)Oc1cnc2ccccc2c1C(=O)[O-] COC[*:1] C[C@H](Oc1cnc2ccccc2c1C(=O)[O-])[*:1]
COC[C@H](C)Oc1cnc2ccccc2c1C(=O)[O-] O=C([O-])[*:1] COC[C@H](C)Oc1cnc2ccccc2c1[*:1]
COC[C@H](C)Oc1cnc2ccccc2c1C(=O)[O-] COC[C@H](C)O[*:1] O=C([O-])c1c(cnc2ccccc12)[*:1]
COC[C@H](C)Oc1cnc2ccccc2c1C(=O)[O-] COC[C@H](C)[*:1] O=C([O-])c1c(cnc2ccccc12)O[*:1]
CCC[C@@](C)(NS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)OC COC(=O)[*:1] CCC[C@@](C)(NS(=O)(=O)c1ccc2CCCCc2c1)[*:1]
CCC[C@@](C)(NS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)OC CCC[*:1] COC(=O)[C@@](C)(NS(=O)(=O)c1ccc2CCCCc2c1)[*:1]
CN(C(=O)COC(=O)c1nccnc1N)c1ccccc1 Nc1nccnc1[*:1] CN(C(=O)COC(=O)[*:1])c1ccccc1
CN(C(=O)COC(=O)c1nccnc1N)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)COC(=O)c1nccnc1N)[*:1]
CCCN1CCO[C@@H]([C@H]([NH3+])Cc2cnn(C)c2)C1 Cn1cc(cn1)[*:1] CCCN1CCO[C@H](C1)[C@H]([NH3+])C[*:1]
CCCN1CCO[C@@H]([C@H]([NH3+])Cc2cnn(C)c2)C1 CCC[*:1] Cn1cc(cn1)C[C@@H]([NH3+])[C@H]1CN(CCO1)[*:1]
CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2)ccc1F Cc1cccc(c1)[*:1] CCN(Cc1ccccc1)S(=O)(=O)c1cc(ccc1F)C(=O)N[*:1]
CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2)ccc1F Cc1cccc(c1)NC(=O)[*:1] CCN(Cc1ccccc1)S(=O)(=O)c1cc(ccc1F)[*:1]
CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2)ccc1F c1ccc(cc1)[*:1] CCN(C[*:1])S(=O)(=O)c1cc(ccc1F)C(=O)Nc1cccc(C)c1
CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2)ccc1F c1ccc(cc1)C[*:1] CCN(S(=O)(=O)c1cc(ccc1F)C(=O)Nc1cccc(C)c1)[*:1]
CS(=O)(=O)c1ccccc1N1CCN(c2ccccc2)CC1 CS(=O)(=O)[*:1] c1ccc(cc1)N1CCN(CC1)c1ccccc1[*:1]
CS(=O)(=O)c1ccccc1N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccccc1N1CCN(CC1)[*:1]
Cn1cc(N2CCC[C@H](Nc3nccc(OCc4ccccc4)n3)C2)cn1 Cn1cc(cn1)[*:1] c1ccc(cc1)COc1ccnc(n1)N[C@H]1CCCN(C1)[*:1]
Cn1cc(N2CCC[C@H](Nc3nccc(OCc4ccccc4)n3)C2)cn1 c1ccc(cc1)CO[*:1] Cn1cc(cn1)N1CCC[C@@H](C1)Nc1nccc(n1)[*:1]
Cn1cc(N2CCC[C@H](Nc3nccc(OCc4ccccc4)n3)C2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)N1CCC[C@@H](C1)Nc1nccc(n1)O[*:1]
Cn1cc(N2CCC[C@H](Nc3nccc(OCc4ccccc4)n3)C2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)N1CCC[C@@H](C1)Nc1nccc(n1)OC[*:1]
Cn1ncnc1CCNC(=O)NCc1ccc(F)cc1C(F)(F)F FC(F)(F)[*:1] Cn1ncnc1CCNC(=O)NCc1ccc(F)cc1[*:1]
Cn1ncnc1CCNC(=O)NCc1ccc(F)cc1C(F)(F)F Cn1ncnc1[*:1] O=C(NCC[*:1])NCc1ccc(F)cc1C(F)(F)F
Cn1ncnc1CCNC(=O)NCc1ccc(F)cc1C(F)(F)F Cn1ncnc1CC[*:1] O=C(NCc1ccc(F)cc1C(F)(F)F)N[*:1]
Cn1ncnc1CCNC(=O)NCc1ccc(F)cc1C(F)(F)F Cn1ncnc1C[*:1] O=C(NCc1ccc(F)cc1C(F)(F)F)NC[*:1]
O=C(CCC1CCCCC1)Oc1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CCC1CCCCC1)Oc1cc(F)ccc1[*:1]
O=C(CCC1CCCCC1)Oc1cc(F)ccc1[N+](=O)[O-] C1CCC(CC1)C[*:1] O=C(C[*:1])Oc1cc(F)ccc1[N+](=O)[O-]
O=C(CCC1CCCCC1)Oc1cc(F)ccc1[N+](=O)[O-] C1CCC(CC1)[*:1] O=C(CC[*:1])Oc1cc(F)ccc1[N+](=O)[O-]
CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C CC(C)(C)[*:1] CC[C@@H](C)NC(=O)c1cc(ccc1C)S(=O)(=O)N[*:1]
CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C CC[C@@H](C)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)NC(C)(C)C
CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C CC[C@@H](C)NC(=O)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)NC(C)(C)C
Cc1occc1C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-] Cc1occc1[*:1] O=C(N/N=C/c1cc(Br)cc(c1[O-])[N+](=O)[O-])[*:1]
Cc1occc1C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] Cc1occc1C(=O)N/N=C/c1cc(Br)cc(c1[O-])[*:1]
CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)sc2c1 CS(=O)(=O)[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)sc2c1 Clc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)CO[*:1]
CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)sc2c1 Clc1ccc(cc1)OC[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[*:1]
CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)sc2c1 Clc1ccc(cc1)O[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 Cc1ccc(cc1)[*:1] O=C(c1cccs1)N1CCc2ccc(cc21)NC(=O)[*:1]
CC(C)Nc1ccc(F)cc1NC(=O)c1ccsc1 CC(C)[*:1] O=C(Nc1cc(F)ccc1N[*:1])c1ccsc1
CC(C)Nc1ccc(F)cc1NC(=O)c1ccsc1 CC(C)N[*:1] O=C(Nc1cc(F)ccc1[*:1])c1ccsc1
CC(C)Nc1ccc(F)cc1NC(=O)c1ccsc1 c1cc(cs1)[*:1] CC(C)Nc1ccc(F)cc1NC(=O)[*:1]
CC/C=C(/C)C(=O)N[C@H](C)c1cccs1 CCC=C(C)[*:1] C[C@@H](NC(=O)[*:1])c1cccs1
CC/C=C(/C)C(=O)N[C@H](C)c1cccs1 c1csc(c1)[*:1] CC/C=C(/C)C(=O)N[C@H](C)[*:1]
Cc1cc2c(cc1C)N(Cc1cccc(F)c1)[C@@H]([C@@H]1C=CC=NC1=O)N2 Fc1cccc(c1)[*:1] Cc1cc2N[C@H]([C@@H]3C=CC=NC3=O)N(C[*:1])c2cc1C
Cc1cc2c(cc1C)N(Cc1cccc(F)c1)[C@@H]([C@@H]1C=CC=NC1=O)N2 Fc1cccc(c1)C[*:1] Cc1cc2N[C@H]([C@@H]3C=CC=NC3=O)N(c2cc1C)[*:1]
CCSc1cncc(NCCC(=O)N(C)C)n1 CN(C)C(=O)[*:1] CCSc1cncc(n1)NCC[*:1]
CCSc1cncc(NCCC(=O)N(C)C)n1 CCS[*:1] CN(C)C(=O)CCNc1cncc(n1)[*:1]
NC(=O)N1CCC(=NNc2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] NC(=O)N1CCC(CC1)=NNc1ccccc1[*:1]
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(C2CC2)nc2ccccc12 C1CC1[*:1] O=C(NCc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1cc(nc2ccccc12)[*:1]
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(C2CC2)nc2ccccc12 O=S(=O)(N1CCCCC1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc(nc2ccccc12)C1CC1
CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)Cc2ccncc2)CC1 c1cc(ccn1)[*:1] CCn1c(C[NH+](C)C)nnc1C1CCN(CC1)C(=O)C[*:1]
CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] CCn1c(C[NH+](C)C)nnc1C1CCN(CC1)C(=O)[*:1]
Cc1cn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4Cl)c3)nc2s1 Clc1ccccc1OC[*:1] Cc1cn2c(=O)cc(COc3cccc(c3)NC(=O)[*:1])nc2s1
Cc1cn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4Cl)c3)nc2s1 Clc1ccccc1[*:1] Cc1cn2c(=O)cc(COc3cccc(c3)NC(=O)CO[*:1])nc2s1
Cc1cn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4Cl)c3)nc2s1 Clc1ccccc1O[*:1] Cc1cn2c(=O)cc(COc3cccc(c3)NC(=O)C[*:1])nc2s1
Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)s1 Cc1ccccc1[*:1] O=C(N[*:1])c1nnc(s1)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)c(Cl)c1
Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)s1 Cc1ccccc1NC(=O)[*:1] O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H](C1)c1nnc(s1)[*:1]
Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)s1 Fc1ccc(cc1Cl)[*:1] Cc1ccccc1NC(=O)c1nnc(s1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
C[C@@H](CC[NH+](C)C)Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](CC[NH+](C)C)Nc1ccc(c(c1)[*:1])S(N)(=O)=O
C[C@@H](CC[NH+](C)C)Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 NS(=O)(=O)[*:1] C[C@@H](CC[NH+](C)C)Nc1ccc(c(c1)C(F)(F)F)[*:1]
O=C([C@@H](N[C@H]1CCc2ccccc21)c1ccccc1)N1CCCCC1 c1ccc(cc1)[*:1] O=C([C@@H](N[C@H]1CCc2ccccc21)[*:1])N1CCCCC1
O=C([C@@H](N[C@H]1CCc2ccccc21)c1ccccc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1ccc(cc1)[C@H](N[C@H]1CCc2ccccc21)[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])c1ccc2OCOc2c1
C[C@H](O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl Clc1ccccc1[*:1] C[C@H](O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
C[C@H](O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl Clc1ccccc1C[*:1] C[C@H](O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(NC(C)=O)c1 CC(=O)N[*:1] CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(c1)[*:1]
Cc1cc[nH]/c(=N\S(=O)(=O)c2ccc(-c3ncc(-c4ccccc4)o3)cc2)c1 c1ccc(cc1)[*:1] Cc1cc[nH]/c(c1)=N\S(=O)(=O)c1ccc(cc1)-c1ncc(o1)[*:1]
Cc1c(CCC(=O)N(C[C@@H]2CCCCO2)C(C)C)cnn1C CC(C)[*:1] Cc1c(cnn1C)CCC(=O)N(C[C@@H]1CCCCO1)[*:1]
Cc1c(CCC(=O)N(C[C@@H]2CCCCO2)C(C)C)cnn1C C1CC[C@H](OC1)[*:1] Cc1c(cnn1C)CCC(=O)N(C[*:1])C(C)C
Cc1c(CCC(=O)N(C[C@@H]2CCCCO2)C(C)C)cnn1C Cc1c(cnn1C)[*:1] CC(C)N(C[C@@H]1CCCCO1)C(=O)CC[*:1]
Cc1c(CCC(=O)N(C[C@@H]2CCCCO2)C(C)C)cnn1C C1CC[C@@H](C[*:1])OC1 Cc1c(cnn1C)CCC(=O)N(C(C)C)[*:1]
Cn1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)cn1 Cn1cc(cn1)[*:1] O=C(N1CCCC[C@@H]1CCc1ccc(O)cc1)[*:1]
Cn1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)cn1 Oc1ccc(cc1)[*:1] Cn1cc(cn1)C(=O)N1CCCC[C@@H]1CC[*:1]
CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCc1ccccc1 c1ccc(cc1)CC[*:1] CCC(=O)N1c2ccccc2C[C@H]1C(=O)NC[*:1]
CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCc1ccccc1 c1ccc(cc1)C[*:1] CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCC[*:1]
CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCc1ccccc1 c1ccc(cc1)[*:1] CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[*:1]
CN(C)S(=O)(=O)c1ccc(N(CC(=O)[O-])C(C)(C)C)cc1 CN(C)S(=O)(=O)[*:1] CC(C)(C)N(CC(=O)[O-])c1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(N(CC(=O)[O-])C(C)(C)C)cc1 O=C([O-])[*:1] CN(C)S(=O)(=O)c1ccc(cc1)N(C[*:1])C(C)(C)C
CN(C)S(=O)(=O)c1ccc(N(CC(=O)[O-])C(C)(C)C)cc1 CC(C)(C)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)N(CC(=O)[O-])[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2cncc3ccccc23)CC1 CC[C@H](C)[*:1] O=C(CN1CCN(CC1)C(=O)Nc1cncc2ccccc12)N[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2cncc3ccccc23)CC1 CC[C@H](C)NC(=O)C[*:1] O=C(Nc1cncc2ccccc12)N1CCN(CC1)[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2cncc3ccccc23)CC1 CC[C@H](C)NC(=O)[*:1] O=C(Nc1cncc2ccccc12)N1CCN(CC1)C[*:1]
CC(C)C[C@@H](NC(=O)N[C@H]1CCCc2c1cnn2C)c1cccs1 c1csc(c1)[*:1] CC(C)C[C@@H](NC(=O)N[C@H]1CCCc2c1cnn2C)[*:1]
CC(C)C[C@@H](NC(=O)N[C@H]1CCCc2c1cnn2C)c1cccs1 CC(C)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@H](C[*:1])c1cccs1
CC(C)C[C@@H](NC(=O)N[C@H]1CCCc2c1cnn2C)c1cccs1 CC(C)C[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@@H](c1cccs1)[*:1]
COc1cc(/C=N/N=C2\S[C@H](CC(=O)[O-])C(=O)N2C)cc(OC)c1OC O=C([O-])[*:1] COc1cc(/C=N/N=C2\S[C@H](C[*:1])C(=O)N2C)cc(OC)c1OC
COc1cc(/C=N/N=C2\S[C@H](CC(=O)[O-])C(=O)N2C)cc(OC)c1OC O=C([O-])C[*:1] COc1cc(/C=N/N=C2\S[C@H](C(=O)N2C)[*:1])cc(OC)c1OC
CC(C)(C)CC(C)(C)NC(=O)c1ccc(-n2cnnc2)cc1Cl CC(C)(C)C[*:1] CC(C)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)[*:1]
CC(C)(C)CC(C)(C)NC(=O)c1ccc(-n2cnnc2)cc1Cl c1nncn1[*:1] CC(C)(C)CC(C)(C)NC(=O)c1ccc(cc1Cl)[*:1]
CC(C)(C)CC(C)(C)NC(=O)c1ccc(-n2cnnc2)cc1Cl CC(C)(C)[*:1] CC(C)(C[*:1])NC(=O)c1ccc(cc1Cl)-n1cnnc1
COc1ccc(Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cn1 CC(=O)NC[*:1] COc1ccc(cn1)Nc1nc(cs1)-c1ccc(s1)[*:1]
COc1ccc(Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cn1 CC(=O)N[*:1] COc1ccc(cn1)Nc1nc(cs1)-c1ccc(C[*:1])s1
COc1ccc(Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cn1 COc1ccc(cn1)[*:1] CC(=O)NCc1ccc(s1)-c1csc(n1)N[*:1]
CC[C@H](C)Oc1cccc(NC(=O)C(=O)N2CC[C@@H]([N+]3=CCCC3)C2)c1 CC[C@H](C)[*:1] O=C(Nc1cccc(c1)O[*:1])C(=O)N1CC[C@H](C1)[N+]1=CCCC1
CC[C@H](C)Oc1cccc(NC(=O)C(=O)N2CC[C@@H]([N+]3=CCCC3)C2)c1 CC[C@H](C)O[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1CC[C@H](C1)[N+]1=CCCC1
CC(=O)N1C[C@H](C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)Oc2ccccc21 Clc1ccc(cc1)[*:1] CC(=O)N1C[C@@H](Oc2ccccc21)C(=O)N(C1=N[C@@H](C)CS1)[*:1]
O=C(Nc1cccnc1)c1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] O=C(Nc1cccnc1)c1ccc(cc1)NC(=O)c1ncn(n1)[*:1]
O=C(Nc1cccnc1)c1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1 O=C(Nc1cccnc1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ncn(n1)-c1ccccc1
O=C(Nc1cccnc1)c1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1 c1cncc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1ncn(n1)-c1ccccc1
Cc1ccc(S(=O)(=O)CCC(=O)NOCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)CCC(=O)NOC[*:1]
Cc1ccc(S(=O)(=O)CCC(=O)NOCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)CCC(=O)NO[*:1]
Cc1ccc(S(=O)(=O)CCC(=O)NOCc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])NOCc1ccccc1
Cc1c(OCc2ccccc2)ccc2cc[nH]c12 c1ccc(cc1)[*:1] Cc1c(ccc2cc[nH]c12)OC[*:1]
Cc1nc(N2CCC(C(N)=O)CC2)c2c(-c3ccccc3)csc2n1 NC(=O)[*:1] Cc1nc(c2c(csc2n1)-c1ccccc1)N1CCC(CC1)[*:1]
Cc1nc(N2CCC(C(N)=O)CC2)c2c(-c3ccccc3)csc2n1 c1ccc(cc1)[*:1] Cc1nc(c2c(csc2n1)[*:1])N1CCC(CC1)C(N)=O
Cn1cc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)ccc1=O Fc1cccc(c1)[*:1] Cn1cc(ccc1=O)C(=O)N1CCC[C@H]1C[*:1]
Cc1cccc(CNC(=O)CCNC(=O)N2CCSc3ncccc32)c1 Cc1cccc(c1)[*:1] O=C(CCNC(=O)N1CCSc2ncccc21)NC[*:1]
Cc1cccc(CNC(=O)CCNC(=O)N2CCSc3ncccc32)c1 Cc1cccc(c1)C[*:1] O=C(CCNC(=O)N1CCSc2ncccc21)N[*:1]
COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)NCc3ccc(F)cc3)c21 Fc1ccc(cc1)C[*:1] COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)N[*:1])c21
COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)NCc3ccc(F)cc3)c21 COc1ccccc1[*:1] Cc1nnc(SCC(=O)NCc2ccc(F)cc2)c2c1cnn2[*:1]
COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)NCc3ccc(F)cc3)c21 Fc1ccc(cc1)[*:1] COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)NC[*:1])c21
COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(F)(F)F)cc1 COC[*:1] O=C1c2ccccc2N[C@H](c2ccc(cc2)C(F)(F)F)N1C[*:1]
COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(F)(F)F)cc1 COCC[*:1] O=C1c2ccccc2N[C@H](c2ccc(cc2)C(F)(F)F)N1[*:1]
COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(cc1)[*:1]
[NH3+][C@H]1CCCCC[C@@H]1C(=O)NCC1CCC1 C1CC(C1)[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)NC[*:1]
[NH3+][C@H]1CCCCC[C@@H]1C(=O)NCC1CCC1 C1CC(C1)C[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)N[*:1]
COc1ccccc1OCC(=O)Nc1noc(-c2ccc(Cl)cc2)n1 COc1ccccc1[*:1] O=C(CO[*:1])Nc1noc(n1)-c1ccc(Cl)cc1
COc1ccccc1OCC(=O)Nc1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] COc1ccccc1OCC(=O)Nc1noc(n1)[*:1]
O=C(N[C@@H]1CCSc2ccccc21)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(N[C@@H]1CCSc2ccccc21)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(=O)n(C)cc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] Cc1cc(=O)n(C)cc1NC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1cc(=O)n(C)cc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 Cc1cc(=O)n(C)cc1NC(=O)c1ccc(cc1)[*:1]
O=C(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)c1ccc(cc1)NS(=O)(=O)[*:1]
O=C(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Clc1cccc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1ccccc1
CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC(C)CC2)c1 CC(=O)[*:1] CC1CCN(CC1)C(=O)[C@H](C)Oc1cccc(c1)[*:1]
COc1cc(NC(=O)c2ccccc2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc12 c1ccc(cc1)[*:1] COc1cc(cc2sc(nc12)[N-]S(=O)(=O)c1ccccc1)NC(=O)[*:1]
COc1cc(NC(=O)c2ccccc2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc12 c1ccc(cc1)[*:1] COc1cc(cc2sc(nc12)[N-]S(=O)(=O)[*:1])NC(=O)c1ccccc1
COc1cc(NC(=O)c2ccccc2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc12 O=C(N[*:1])c1ccccc1 COc1cc(cc2sc(nc12)[N-]S(=O)(=O)c1ccccc1)[*:1]
Cn1c(C[NH+](C)Cc2csc(-c3ccccn3)n2)nnc1C1CC1 c1ccc(nc1)[*:1] Cn1c(C[NH+](C)Cc2csc(n2)[*:1])nnc1C1CC1
Cn1c(C[NH+](C)Cc2csc(-c3ccccn3)n2)nnc1C1CC1 C1CC1[*:1] Cn1c(C[NH+](C)Cc2csc(n2)-c2ccccn2)nnc1[*:1]
CN(C(=O)OC(C)(C)C)C1CCN(c2cnc3ccccc3n2)CC1 CC(C)(C)[*:1] CN(C(=O)O[*:1])C1CCN(CC1)c1cnc2ccccc2n1
CNc1ccccc1C(=O)N[C@@H]1C[C@@H](C(=O)OC)N(C)C1 COC(=O)[*:1] CNc1ccccc1C(=O)N[C@@H]1C[C@@H](N(C)C1)[*:1]
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)cc1)c1ccncc1 Oc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1[*:1])c1ccncc1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)cc1)c1ccncc1 O=C(c1ccncc1)[*:1] O=C1C([O-])=C([C@@H](c2ccc(O)cc2)N1CCN1CCOCC1)[*:1]
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)cc1)c1ccncc1 C1CN(CCO1)[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccc(O)cc1)c1ccncc1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)cc1)c1ccncc1 c1cc(ccn1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(O)cc2)N1CCN1CCOCC1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)cc1)c1ccncc1 C1CN(CCO1)C[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(O)cc1)c1ccncc1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(O)cc1)c1ccncc1 C1CN(CCO1)CC[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc(O)cc1)[*:1])c1ccncc1
CCn1cc([C@@H]2CC(=O)Nc3cc(Oc4ccccc4)ccc32)c(C)n1 CCn1cc(c(C)n1)[*:1] O=C1C[C@H](c2ccc(cc2N1)Oc1ccccc1)[*:1]
CCn1cc([C@@H]2CC(=O)Nc3cc(Oc4ccccc4)ccc32)c(C)n1 c1ccc(cc1)[*:1] CCn1cc(c(C)n1)[C@@H]1CC(=O)Nc2cc(ccc21)O[*:1]
CCn1cc([C@@H]2CC(=O)Nc3cc(Oc4ccccc4)ccc32)c(C)n1 c1ccc(cc1)O[*:1] CCn1cc(c(C)n1)[C@@H]1CC(=O)Nc2cc(ccc21)[*:1]
O=C(NCc1nnc2n1CCC2)c1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] O=C(NCc1nnc2CCCn21)c1ccc(cc1)[*:1]
O=C(NCc1nnc2n1CCC2)c1ccc(N2CCCS2(=O)=O)cc1 C1Cc2nnc(n2C1)[*:1] O=C(NC[*:1])c1ccc(cc1)N1CCCS1(=O)=O
O=C(CS[C@@H]1N[NH+]=C(N2CCOCC2)N1C[C@H]1CCCO1)C1=c2ccccc2=[NH+]C1 C1CO[C@H](C1)C[*:1] O=C(CS[C@@H]1N[NH+]=C(N2CCOCC2)N1[*:1])C1C[NH+]=c2ccccc2=1
O=C(CS[C@@H]1N[NH+]=C(N2CCOCC2)N1C[C@H]1CCCO1)C1=c2ccccc2=[NH+]C1 C1CO[C@H](C1)[*:1] O=C(CS[C@@H]1N[NH+]=C(N2CCOCC2)N1C[*:1])C1C[NH+]=c2ccccc2=1
COCCOc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)cc1 COCCO[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCOC[C@H]1C1CC1
COCCOc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)cc1 COCC[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CCOC[C@H]1C1CC1
COCCOc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)cc1 COC[*:1] O=C(Nc1ccc(cc1)OC[*:1])N1CCOC[C@H]1C1CC1
COCCOc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)cc1 C1CC1[*:1] COCCOc1ccc(cc1)NC(=O)N1CCOC[C@@H]1[*:1]
CCc1nn(C)cc1NC(=O)N[C@H](CO)C1CC1 C1CC1[*:1] CCc1nn(C)cc1NC(=O)N[C@H](CO)[*:1]
CCc1nn(C)cc1NC(=O)N[C@H](CO)C1CC1 OC[C@H](C1CC1)[*:1] CCc1nn(C)cc1NC(=O)N[*:1]
Cc1noc(C)c1[C@H](C)NS(=O)(=O)CCCCC#N N#CCC[*:1] Cc1noc(C)c1[C@H](C)NS(=O)(=O)CC[*:1]
Cc1noc(C)c1[C@H](C)NS(=O)(=O)CCCCC#N N#CCCCC[*:1] Cc1noc(C)c1[C@H](C)NS(=O)(=O)[*:1]
Cc1noc(C)c1[C@H](C)NS(=O)(=O)CCCCC#N N#CC[*:1] Cc1noc(C)c1[C@H](C)NS(=O)(=O)CCC[*:1]
Cc1noc(C)c1[C@H](C)NS(=O)(=O)CCCCC#N N#CCCC[*:1] Cc1noc(C)c1[C@H](C)NS(=O)(=O)C[*:1]
Cc1ccc([C@H](C)NC(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)NCc1ccc(cc1)C(=O)N1C[C@@H](C)O[C@H](C)C1)[*:1]
Cc1ccc([C@H](C)NC(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)o1 Cc1ccc(o1)[C@H](C)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)CNC(=O)N[*:1]
CCCNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 CCCNC(=O)[*:1] Cc1ccc(cc1N(C)S(C)(=O)=O)[*:1]
CCCNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 CCC[*:1] Cc1ccc(cc1N(C)S(C)(=O)=O)C(=O)N[*:1]
CCCNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 CN(S(C)(=O)=O)[*:1] CCCNC(=O)c1ccc(C)c(c1)[*:1]
O=C(NCCSc1ccc(Br)cc1)c1cnccn1 c1cnc(cn1)[*:1] O=C(NCCSc1ccc(Br)cc1)[*:1]
O=C([O-])[C@@H]1[NH2+]CC[C@H]1c1cccc2cccnc12 O=C([O-])[*:1] c1cnc2c(cccc2c1)[C@@H]1CC[NH2+][C@H]1[*:1]
C/C=C(/C)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C/C=C(/C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
C/C=C(/C)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 CC=C(C)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)OC(F)F
C/C=C(/C)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 FC(F)[*:1] C/C=C(/C)C(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
O=C([O-])C[C@H]1CN(C(=O)NCc2ccc(Br)cc2)CCO1 O=C([O-])[*:1] O=C(NCc1ccc(Br)cc1)N1CCO[C@H](C1)C[*:1]
O=C([O-])C[C@H]1CN(C(=O)NCc2ccc(Br)cc2)CCO1 O=C([O-])C[*:1] O=C(NCc1ccc(Br)cc1)N1CCO[C@H](C1)[*:1]
O=C([O-])C[C@H]1CN(C(=O)NCc2ccc(Br)cc2)CCO1 Brc1ccc(cc1)[*:1] O=C([O-])C[C@H]1CN(CCO1)C(=O)NC[*:1]
COCC[C@@H](C)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C c1ccc(cc1)[*:1] COCC[C@@H](C)C(=O)Nc1cc(ccc1C)NC(=O)[*:1]
COCC[C@@H](C)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C COC[*:1] Cc1ccc(cc1NC(=O)[C@H](C)C[*:1])NC(=O)c1ccccc1
COCC[C@@H](C)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C COCC[*:1] Cc1ccc(cc1NC(=O)[C@H](C)[*:1])NC(=O)c1ccccc1
Cc1noc(C)c1[C@@H](C)NC(=O)CCCNC(=O)C1CC1 O=C(N[*:1])C1CC1 Cc1noc(C)c1[C@@H](C)NC(=O)CCC[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)CCCNC(=O)C1CC1 C1CC1[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)CCCNC(=O)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)CCCNC(=O)C1CC1 O=C(NC[*:1])C1CC1 Cc1noc(C)c1[C@@H](C)NC(=O)CC[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)CCCNC(=O)C1CC1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)CCCNC(=O)C1CC1)[*:1]
Cc1ccc([C@H]2CN(S(=O)(=O)c3cccnc3)C[C@@H]2[NH3+])o1 Cc1ccc(o1)[*:1] [NH3+][C@H]1CN(C[C@@H]1[*:1])S(=O)(=O)c1cccnc1
Cc1ccc([C@H]2CN(S(=O)(=O)c3cccnc3)C[C@@H]2[NH3+])o1 c1cncc(c1)[*:1] Cc1ccc(o1)[C@H]1CN(C[C@@H]1[NH3+])S(=O)(=O)[*:1]
CC(C)C(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)C(=O)N[C@@H]1CCCN(C1)C(=O)NC[C@H]1CCO[C@H]1[*:1]
CC(C)C(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)C1 CC(C)C(=O)N[*:1] O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N1CCC[C@H](C1)[*:1]
CC(C)C(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)C1 CC(C)[*:1] O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N1CCC[C@H](C1)NC(=O)[*:1]
O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl O=C([O-])C[*:1] O=C(Nc1cc(Cl)ccc1Cl)[C@@H](Cc1ccc(Cl)cc1)[*:1]
O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)N[*:1]
O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(cc1)C[*:1] O=C([O-])C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[*:1]
O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl O=C([O-])[*:1] O=C(Nc1cc(Cl)ccc1Cl)[C@@H](Cc1ccc(Cl)cc1)C[*:1]
O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(cc1)[*:1] O=C([O-])C[C@H](C[*:1])C(=O)Nc1cc(Cl)ccc1Cl
C#CCN1CCN([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC1 C#CC[*:1] Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] O=C(NC(=S)Nc1ccc2OCCOc2c1)[*:1]
COCCN1CCC([NH2+][C@@H]2C[C@@H]3CCCc4cccc2c43)CC1 COC[*:1] c1cc2CCC[C@H]3C[C@@H]([NH2+]C4CCN(CC4)C[*:1])c(c1)c23
COCCN1CCC([NH2+][C@@H]2C[C@@H]3CCCc4cccc2c43)CC1 COCC[*:1] c1cc2CCC[C@H]3C[C@@H]([NH2+]C4CCN(CC4)[*:1])c(c1)c23
CC(C)CC[NH+](C/C([O-])=N/c1nncs1)C1CC1 c1nnc(s1)[*:1] CC(C)CC[NH+](CC([O-])=N[*:1])C1CC1
CC(C)CC[NH+](C/C([O-])=N/c1nncs1)C1CC1 C1CC1[*:1] CC(C)CC[NH+](C/C([O-])=N/c1nncs1)[*:1]
CC(C)CC[NH+](C/C([O-])=N/c1nncs1)C1CC1 CC(C)[*:1] [O-]/C(C[NH+](CC[*:1])C1CC1)=N\c1nncs1
CC(C)CC[NH+](C/C([O-])=N/c1nncs1)C1CC1 CC(C)CC[*:1] [O-]/C(C[NH+](C1CC1)[*:1])=N\c1nncs1
CC(C)CC[NH+](C/C([O-])=N/c1nncs1)C1CC1 CC(C)C[*:1] [O-]/C(C[NH+](C[*:1])C1CC1)=N\c1nncs1
COc1ccc(O)cc1-c1nc2c([nH]1)c(-c1cccnc1)nn2C c1cncc(c1)[*:1] COc1ccc(O)cc1-c1nc2c([nH]1)c(nn2C)[*:1]
Cc1cccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccco2)c1 Cc1cccc(c1)[*:1] O=C(c1ccco1)[C@H]1[C@H](NC(=S)N[C@@]1(O)C(F)(F)F)[*:1]
Cc1cccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccco2)c1 FC(F)(F)[*:1] Cc1cccc(c1)[C@H]1NC(=S)N[C@@](O)([C@H]1C(=O)c1ccco1)[*:1]
Cc1cccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccco2)c1 c1coc(c1)[*:1] Cc1cccc(c1)[C@H]1NC(=S)N[C@](O)([C@H]1C(=O)[*:1])C(F)(F)F
Cc1cccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccco2)c1 O=C(c1ccco1)[*:1] Cc1cccc(c1)[C@H]1NC(=S)N[C@](O)([C@@H]1[*:1])C(F)(F)F
COC[C@@H](C)NC(=O)C1=NNC(=O)CC1 COC[C@@H](C)[*:1] O=C1CCC(=NN1)C(=O)N[*:1]
COC[C@@H](C)NC(=O)C1=NNC(=O)CC1 COC[*:1] C[C@@H](NC(=O)C1CCC(=O)NN=1)[*:1]
CC[C@@](C)(NC(=O)NC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] CC[C@@](C)(NC(=O)N[*:1])c1ccccc1
CC[C@@](C)(NC(=O)NC(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@](C)(NC(=O)NC(C)(C)C)[*:1]
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C[C@@H]1OC(=O)c3ccccc31)CC2 c1csc(c1)[*:1] COc1cc2CCN(C(=O)C[C@@H]3OC(=O)c4ccccc43)[C@@H](c2cc1OC)[*:1]
O=c1c2c(-c3ccccc3)csc2ncn1Cc1noc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=c1c2c(csc2ncn1Cc1noc(n1)[*:1])-c1ccccc1
O=c1c2c(-c3ccccc3)csc2ncn1Cc1noc(-c2ccc(F)cc2)n1 c1ccc(cc1)[*:1] O=c1c2c(csc2ncn1Cc1noc(n1)-c1ccc(F)cc1)[*:1]
Cc1ccc(NC(=S)NNC(=O)Cn2c(=O)oc3ccccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Cn1c(=O)oc2ccccc21)NNC(=S)N[*:1]
CC(=O)N1CC[NH+](CC(=O)N[C@H](c2ccccc2)C(C)C)CC1 CC(C)[*:1] CC(=O)N1CC[NH+](CC1)CC(=O)N[C@H](c1ccccc1)[*:1]
CC(=O)N1CC[NH+](CC(=O)N[C@H](c2ccccc2)C(C)C)CC1 c1ccc(cc1)[*:1] CC(=O)N1CC[NH+](CC1)CC(=O)N[C@H](C(C)C)[*:1]
COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)c1c(C)n(C)c3ccccc13)c(=O)n2C COC(=O)[*:1] Cc1cc(c2c(=O)n(CC(=O)c3c(C)n(C)c4ccccc34)c(=O)n(C)c2n1)[*:1]
O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)C1CCOCC1 C1CC(CCO1)[*:1] O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)[*:1]
Cc1nc(N2CCC[C@H](C(=O)NCC3CC3)C2)c2cc[nH]c2n1 C1CC1[*:1] Cc1nc(c2cc[nH]c2n1)N1CCC[C@@H](C1)C(=O)NC[*:1]
Cc1nc(N2CCC[C@H](C(=O)NCC3CC3)C2)c2cc[nH]c2n1 O=C(NCC1CC1)[*:1] Cc1nc(c2cc[nH]c2n1)N1CCC[C@H](C1)[*:1]
Cc1nc(N2CCC[C@H](C(=O)NCC3CC3)C2)c2cc[nH]c2n1 C1CC1C[*:1] Cc1nc(c2cc[nH]c2n1)N1CCC[C@@H](C1)C(=O)N[*:1]
C[C@@H](Cl)c1nc([C@]2(C)CCCO2)no1 C[C@@H](Cl)[*:1] C[C@]1(CCCO1)c1noc(n1)[*:1]
Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cn1c(Cc2cccc3ccccc23)nnc1SC[*:1]
Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 Cn1c(Cc2cccc3ccccc23)nnc1S[*:1]
CN(C)Nc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C)Nc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[*:1]
CN(C)Nc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] CN(C)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccc(Cl)c(Cl)c1
CCCc1nc(CO/N=C(/N)c2cccs2)no1 c1csc(c1)[*:1] CCCc1nc(CO/N=C(/N)[*:1])no1
CCCc1nc(CO/N=C(/N)c2cccs2)no1 CCC[*:1] N/C(=N/OCc1noc(n1)[*:1])c1cccs1
CC1=CC(C)(C)Nc2ccc(/C(Cl)=C(\Cl)c3ncc(Cl)cn3)cc21 Clc1cnc(nc1)[*:1] CC1=CC(C)(C)Nc2ccc(cc21)/C(Cl)=C(\Cl)[*:1]
CCC[NH2+][C@H]1[C@H](CN2C[C@H](C)O[C@H](C)C2)CCC1(C)C CCC[*:1] C[C@H]1CN(C[C@@H]2CCC(C)(C)[C@H]2[NH2+][*:1])C[C@@H](C)O1
Cc1cc(NC[C@H](c2ccccn2)N2CCOCC2)n2nc(C)cc2n1 c1ccc(nc1)[*:1] Cc1cc(NC[C@H](N2CCOCC2)[*:1])n2nc(C)cc2n1
Cc1cc(NC[C@H](c2ccccn2)N2CCOCC2)n2nc(C)cc2n1 C1CN(CCO1)[*:1] Cc1cc(NC[C@H](c2ccccn2)[*:1])n2nc(C)cc2n1
Cc1ccccc1[C@H]1CN(C(=O)N[C@@H](C)c2nncn2C)[C@@H](C)CO1 Cn1cnnc1[*:1] Cc1ccccc1[C@H]1CN(C(=O)N[C@@H](C)[*:1])[C@@H](C)CO1
Cc1ccccc1[C@H]1CN(C(=O)N[C@@H](C)c2nncn2C)[C@@H](C)CO1 C[C@@H](c1nncn1C)[*:1] Cc1ccccc1[C@H]1CN(C(=O)N[*:1])[C@@H](C)CO1
Cc1ccccc1[C@H]1CN(C(=O)N[C@@H](C)c2nncn2C)[C@@H](C)CO1 Cc1ccccc1[*:1] C[C@H](NC(=O)N1C[C@@H](OC[C@@H]1C)[*:1])c1nncn1C
CC(C)N1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 CC(C)[*:1] N#Cc1cccc(c1)NC(=O)C[NH+]1CCN(CC1)[*:1]
CC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O c1ccc(cc1)[*:1] CC(=O)[C@H](C[*:1])NC(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O
CC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O CC(=O)[*:1] Cc1ccc(s1)-c1csc2ncn(CC(=O)N[C@@H](Cc3ccccc3)[*:1])c(=O)c12
CC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O c1ccc(cc1)C[*:1] CC(=O)[C@H](NC(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O)[*:1]
CC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O Cc1ccc(s1)[*:1] CC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc2scc(c2c1=O)[*:1]
CCc1ccc(CNC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)s1 CCc1ccc(C[*:1])s1 CC(C)[C@@H](CNC(=O)N[*:1])N1CC[NH+](C)CC1
CCc1ccc(CNC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)s1 CCc1ccc(s1)[*:1] CC(C)[C@@H](CNC(=O)NC[*:1])N1CC[NH+](C)CC1
CCc1ccc(CNC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)s1 CC(C)[*:1] CCc1ccc(CNC(=O)NC[C@H](N2CC[NH+](C)CC2)[*:1])s1
O=C(C[NH+]1CCC2(CC1)NC(c1ccccn1)=NO2)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCC2(CC1)NC(=NO2)c1ccccn1)N1CCN(CC1)[*:1]
O=C(C[NH+]1CCC2(CC1)NC(c1ccccn1)=NO2)N1CCN(c2ccc(F)cc2)CC1 c1ccc(nc1)[*:1] O=C(C[NH+]1CCC2(CC1)NC(=NO2)[*:1])N1CCN(CC1)c1ccc(F)cc1
CC(C)CN(C1CCCC1)S(=O)(=O)CC[NH3+] CC(C)C[*:1] [NH3+]CCS(=O)(=O)N(C1CCCC1)[*:1]
CC(C)CN(C1CCCC1)S(=O)(=O)CC[NH3+] CC(C)[*:1] [NH3+]CCS(=O)(=O)N(C[*:1])C1CCCC1
CC(C)CN(C1CCCC1)S(=O)(=O)CC[NH3+] C1CCC(C1)[*:1] CC(C)CN(S(=O)(=O)CC[NH3+])[*:1]
CC(=O)Nc1ccc(/C(C)=N\NC2=[NH+]CCN2)cc1Br CC(=O)N[*:1] C/C(=N/NC1NCC[NH+]=1)c1ccc(c(Br)c1)[*:1]
CCOc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCc4ccccc4C3)c2C)cc1 CCOc1ccc(cc1)[*:1] Cc1nn(C(=O)[*:1])c(C)c1S(=O)(=O)N1CCc2ccccc2C1
CCOc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCc4ccccc4C3)c2C)cc1 CCO[*:1] Cc1nn(C(=O)c2ccc(cc2)[*:1])c(C)c1S(=O)(=O)N1CCc2ccccc2C1
CCOc1ccc(NC(=O)CC[C@@H]2CC(=O)O[C@@H]2c2ccccc2)cc1 CCO[*:1] O=C(CC[C@@H]1CC(=O)O[C@@H]1c1ccccc1)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)CC[C@@H]2CC(=O)O[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)CC[C@@H]1CC(=O)O[C@H]1[*:1]
CC(=O)Nc1nc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)cs1 CC(=O)N[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)c1csc(n1)[*:1]
CCCC(=O)N[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 CCC[*:1] O=C(N[C@H]1CCCN(C1)c1cc[nH+]cc1Cl)[*:1]
CCCC(=O)N[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 CCCC(=O)N[*:1] Clc1c[nH+]ccc1N1CCC[C@@H](C1)[*:1]
COC(=O)Cc1ccccc1NC(=O)c1ccc2c(c1)ncn2C(C)C COC(=O)C[*:1] CC(C)n1cnc2cc(ccc21)C(=O)Nc1ccccc1[*:1]
COC(=O)Cc1ccccc1NC(=O)c1ccc2c(c1)ncn2C(C)C COC(=O)[*:1] CC(C)n1cnc2cc(ccc21)C(=O)Nc1ccccc1C[*:1]
COC(=O)Cc1ccccc1NC(=O)c1ccc2c(c1)ncn2C(C)C CC(C)[*:1] COC(=O)Cc1ccccc1NC(=O)c1ccc2c(c1)ncn2[*:1]
Cc1cccc(CN2CCN(CC(=O)Nc3ccc(C)c(C)c3)C(=O)C2=O)c1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1C)NC(=O)CN1CCN(C(=O)C1=O)[*:1]
Cc1cccc(CN2CCN(CC(=O)Nc3ccc(C)c(C)c3)C(=O)C2=O)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1C)NC(=O)CN1CCN(C[*:1])C(=O)C1=O
Cc1cccc(CN2CCN(CC(=O)Nc3ccc(C)c(C)c3)C(=O)C2=O)c1 Cc1ccc(cc1C)[*:1] Cc1cccc(c1)CN1CCN(CC(=O)N[*:1])C(=O)C1=O
CCN(C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)[*:1]
CCN(C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 CC(C)=C[*:1] CCN(C(=O)[C@H]1[C@H](C1(C)C)[*:1])[C@H]1CCS(=O)(=O)C1
O=C(Nc1cnc2ccccc2c1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 c1ccc2ncc(cc2c1)[*:1] O=C(N[*:1])[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12
O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cccc(-n2ccnc2)c1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@H](CO)C[*:1])c1cccc(c1)-n1ccnc1
O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cccc(c1)[*:1]
Cc1cc(CSc2nnc(C(C)C)n2C2CC2)on1 CC(C)[*:1] Cc1cc(CSc2nnc(n2C2CC2)[*:1])on1
Cc1cc(CSc2nnc(C(C)C)n2C2CC2)on1 Cc1cc(on1)[*:1] CC(C)c1nnc(SC[*:1])n1C1CC1
Cc1cc(CSc2nnc(C(C)C)n2C2CC2)on1 C1CC1[*:1] Cc1cc(CSc2nnc(C(C)C)n2[*:1])on1
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Cc1ccc(Cl)nc1 COC(=O)[*:1] O=C(Cc1ccc(Cl)nc1)N[C@H]1CCCCC[C@H]1[*:1]
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Cc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)C[*:1]
CC(C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] CC(C)[*:1] O=C(N[*:1])[C@H]1CC=CC[C@H]1C(=O)[O-]
CC(C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)NC(=O)[C@H]1CC=CC[C@@H]1[*:1]
CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)n1nc(-c2ccc(C)cc2)ccc1=O CC(=O)[*:1] CC[C@H](C(=O)Nc1cccc(c1)[*:1])n1nc(ccc1=O)-c1ccc(C)cc1
CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)n1nc(-c2ccc(C)cc2)ccc1=O Cc1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1cccc(c1)C(C)=O)n1nc(ccc1=O)[*:1]
CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)n1nc(-c2ccc(C)cc2)ccc1=O CC(=O)c1cccc(c1)[*:1] CC[C@H](C(=O)N[*:1])n1nc(ccc1=O)-c1ccc(C)cc1
CCc1ccccc1NC(=O)CCCC(=O)[O-] O=C([O-])CC[*:1] CCc1ccccc1NC(=O)C[*:1]
CCc1ccccc1NC(=O)CCCC(=O)[O-] O=C([O-])C[*:1] CCc1ccccc1NC(=O)CC[*:1]
CCc1ccccc1NC(=O)CCCC(=O)[O-] O=C([O-])[*:1] CCc1ccccc1NC(=O)CCC[*:1]
Cn1cccc1CNc1cnn(CC(=O)N2CCOCC2)c1 Cn1cccc1C[*:1] O=C(Cn1cc(cn1)N[*:1])N1CCOCC1
Cn1cccc1CNc1cnn(CC(=O)N2CCOCC2)c1 Cn1cccc1[*:1] O=C(Cn1cc(cn1)NC[*:1])N1CCOCC1
N#Cc1cccc(C(F)(F)F)c1Br FC(F)(F)[*:1] N#Cc1cccc(c1Br)[*:1]
C#CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cc(OC)ccc21 C#CC[*:1] COc1ccc2c(c1)s/c(=N\C(=O)c1cccc(c1)S(=O)(=O)C(C)C)n2[*:1]
C#CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cc(OC)ccc21 CC(C)[*:1] C#CCn1/c(=N/C(=O)c2cccc(c2)S(=O)(=O)[*:1])sc2cc(ccc21)OC
C#CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cc(OC)ccc21 CC(C)S(=O)(=O)[*:1] C#CCn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2cc(ccc21)OC
CC(C)(C)c1nnc(CSc2csc(C(=O)[O-])c2)o1 CC(C)(C)[*:1] O=C([O-])c1cc(cs1)SCc1nnc(o1)[*:1]
CC(C)(C)c1nnc(CSc2csc(C(=O)[O-])c2)o1 O=C([O-])[*:1] CC(C)(C)c1nnc(CSc2csc(c2)[*:1])o1
COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)C1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1)[*:1]
C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1)C(=O)[O-] Oc1cc(ccc1I)[*:1] C[C@@H](Oc1ccc(/C=N/NC(=O)[*:1])cc1)C(=O)[O-]
O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Br)s1 O=C(NC1CC1)[*:1] O=C(NN[C@@H](c1ccccc1)[*:1])c1ccc(Br)s1
O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(NC1CC1)[C@H](NNC(=O)[*:1])c1ccccc1
O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Br)s1 c1ccc(cc1)[*:1] O=C(NN[C@@H](C(=O)NC1CC1)[*:1])c1ccc(Br)s1
O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Br)s1 C1CC1[*:1] O=C(NN[C@@H](C(=O)N[*:1])c1ccccc1)c1ccc(Br)s1
COc1cc(C(=O)NCC(C)(C)N2CCOCC2)ccc1OC(C)C C1CN(CCO1)[*:1] COc1cc(ccc1OC(C)C)C(=O)NCC(C)(C)[*:1]
COc1cc(C(=O)NCC(C)(C)N2CCOCC2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C(=O)NCC(C)(C)N1CCOCC1
COc1cc(C(=O)NCC(C)(C)N2CCOCC2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C(=O)NCC(C)(C)N1CCOCC1
C[S@@](=O)c1ccc(CNC(=O)[C@@H]2CCCS2)cc1 C[S@@](=O)[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1CCCS1
C[S@@](=O)c1ccc(CNC(=O)[C@@H]2CCCS2)cc1 C1CS[C@@H](C1)[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)[*:1]
CCCOc1ccc([C@@H](C)NC(=O)N2CCOCC[C@@H]2C)cc1OC CCCO[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)N1CCOCC[C@@H]1C
CCCOc1ccc([C@@H](C)NC(=O)N2CCOCC[C@@H]2C)cc1OC CCC[*:1] COc1cc(ccc1O[*:1])[C@@H](C)NC(=O)N1CCOCC[C@@H]1C
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccn1)Nc1ccccc1N2 c1ccc(nc1)[*:1] O=C1C[C@H](CC2Nc3ccccc3N[C@H](C=21)[*:1])c1ccc(Cl)cc1
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccn1)Nc1ccccc1N2 Clc1ccc(cc1)[*:1] O=C1C[C@@H](CC2Nc3ccccc3N[C@@H](C=21)c1ccccn1)[*:1]
O=C(NC(CO)CO)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NC(CO)CO)N[C@@H]1CCC[C@@H](C1)[*:1]
O=C(NC(CO)CO)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 OCC(CO)[*:1] O=C(N[C@@H]1CCC[C@H](C1)C(F)(F)F)N[*:1]
CC[C@H](COC)NC(=O)c1cnc(C)c(Cl)c1Br COC[*:1] CC[C@H](NC(=O)c1cnc(C)c(Cl)c1Br)[*:1]
CC[C@H](COC)NC(=O)c1cnc(C)c(Cl)c1Br CC[C@H](COC)[*:1] Cc1ncc(C(=O)N[*:1])c(Br)c1Cl
Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc(-c4cnccn4)nc(O)c3C2)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](O[*:1])C(=O)N1CCc2nc(nc(O)c2C1)-c1cnccn1
Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc(-c4cnccn4)nc(O)c3C2)c1 Cc1cc(C)cc(c1)O[*:1] C[C@@H](C(=O)N1CCc2nc(nc(O)c2C1)-c1cnccn1)[*:1]
Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc(-c4cnccn4)nc(O)c3C2)c1 c1cnc(cn1)[*:1] Cc1cc(C)cc(c1)O[C@@H](C)C(=O)N1CCc2nc(nc(O)c2C1)[*:1]
COc1ccccc1[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccco1 c1coc(c1)[*:1] COc1ccccc1[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)[*:1]
COc1ccccc1[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccco1 Cn1cc(cn1)[*:1] COc1ccccc1[C@@H]([NH2+][C@@H](C)[*:1])c1ccco1
CC[C@](C)([C@@H](O)c1ccc(F)c(C)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@](C)([C@@H](O)c1ccc(F)c(C)c1)[*:1]
C[C@H](NC(=O)N(C)Cc1cnccn1)c1cccc(-n2ccnc2)c1 c1cnc(cn1)C[*:1] C[C@H](NC(=O)N(C)[*:1])c1cccc(c1)-n1ccnc1
C[C@H](NC(=O)N(C)Cc1cnccn1)c1cccc(-n2ccnc2)c1 c1cnc(cn1)[*:1] C[C@H](NC(=O)N(C)C[*:1])c1cccc(c1)-n1ccnc1
C[C@H](NC(=O)N(C)Cc1cnccn1)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] C[C@H](NC(=O)N(C)Cc1cnccn1)c1cccc(c1)[*:1]
O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)N[C@@H](CO)c1ccccc1 Clc1ccc(cc1)[*:1] O=C(COc1ccc2c(=O)c(coc2c1)[*:1])N[C@@H](CO)c1ccccc1
O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)N[C@@H](CO)c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc2c(=O)c(coc2c1)-c1ccc(Cl)cc1)N[C@@H](CO)[*:1]
O=C([O-])CCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C([O-])CCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C([O-])CCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 O=C([O-])CC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccs1)[*:1]
O=C([O-])CCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 O=C([O-])[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1cccs1
O=C([O-])CCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 O=C([O-])C[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1cccs1
Cc1noc([C@@H](C)OC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 FC(F)(F)C[*:1] Cc1noc(n1)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1noc([C@@H](C)OC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 Cc1noc(n1)[*:1] C[C@@H](OC(=O)[C@@H]1CC(=O)N(C1)CC(F)(F)F)[*:1]
Cc1noc([C@@H](C)OC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 FC(F)(F)[*:1] Cc1noc(n1)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
COC(=O)CCCN(C)C(=O)[C@H](C)c1ccc2ccccc2c1 COC(=O)CCC[*:1] C[C@@H](C(=O)N(C)[*:1])c1ccc2ccccc2c1
COC(=O)CCCN(C)C(=O)[C@H](C)c1ccc2ccccc2c1 COC(=O)CC[*:1] C[C@@H](C(=O)N(C)C[*:1])c1ccc2ccccc2c1
COC(=O)CCCN(C)C(=O)[C@H](C)c1ccc2ccccc2c1 COC(=O)[*:1] C[C@@H](C(=O)N(C)CCC[*:1])c1ccc2ccccc2c1
COC(=O)CCCN(C)C(=O)[C@H](C)c1ccc2ccccc2c1 COC(=O)C[*:1] C[C@@H](C(=O)N(C)CC[*:1])c1ccc2ccccc2c1
C[C@@H](CN1CCOCC1)NC(=O)c1cnc(Oc2ccccc2)cn1 C1CN(CCO1)[*:1] C[C@@H](C[*:1])NC(=O)c1cnc(cn1)Oc1ccccc1
C[C@@H](CN1CCOCC1)NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] C[C@@H](CN1CCOCC1)NC(=O)c1cnc(cn1)O[*:1]
C[C@@H](CN1CCOCC1)NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] C[C@@H](CN1CCOCC1)NC(=O)c1cnc(cn1)[*:1]
C[C@@H](CN1CCOCC1)NC(=O)c1cnc(Oc2ccccc2)cn1 C1CN(CCO1)C[*:1] C[C@@H](NC(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
COc1ccccc1Cn1cc(C(=O)c2ccccc2)c(=O)c2ccccc21 O=C(c1ccccc1)[*:1] COc1ccccc1Cn1cc(c(=O)c2ccccc21)[*:1]
COc1ccccc1Cn1cc(C(=O)c2ccccc2)c(=O)c2ccccc21 COc1ccccc1C[*:1] O=C(c1ccccc1)c1cn(c2ccccc2c1=O)[*:1]
COc1ccccc1Cn1cc(C(=O)c2ccccc2)c(=O)c2ccccc21 c1ccc(cc1)[*:1] COc1ccccc1Cn1cc(C(=O)[*:1])c(=O)c2ccccc21
COc1ccccc1Cn1cc(C(=O)c2ccccc2)c(=O)c2ccccc21 COc1ccccc1[*:1] O=C(c1ccccc1)c1cn(C[*:1])c2ccccc2c1=O
Cc1nnc2n1CCC[C@H]2NC(=O)NCCc1ccc(OC(C)C)cc1 CC(C)O[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)NCCc1ccc(cc1)[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)NCCc1ccc(OC(C)C)cc1 CC(C)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)NCCc1ccc(cc1)O[*:1]
Cc1ccc(NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1-n1cnnn1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1-n1cnnn1)NC(=O)[C@H](NC(=O)[*:1])C(C)C
Cc1ccc(NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1-n1cnnn1 c1nnnn1[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C
Cc1ccc(NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1-n1cnnn1 CC(C)[*:1] Cc1ccc(cc1-n1cnnn1)NC(=O)[C@H](NC(=O)c1ccc(F)cc1)[*:1]
CCN(C)C(=O)Nc1c(/C(N)=N/O)cnn1C N/C(=N\O)[*:1] CCN(C)C(=O)Nc1c(cnn1C)[*:1]
Cn1nnc2c(N3CCN(CC(=O)Nc4ccc(F)cc4F)CC3)ncnc21 Fc1ccc(c(F)c1)[*:1] Cn1nnc2c(ncnc21)N1CCN(CC1)CC(=O)N[*:1]
CC(C)OC(=O)CNC(=O)[C@H]1C[C@H]2CC[C@@H]1O2 CC(C)[*:1] O=C(CNC(=O)[C@H]1C[C@H]2CC[C@@H]1O2)O[*:1]
O=C(Nc1ccccc1F)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Fc1ccccc1[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1)N[*:1]
O=C(Nc1ccccc1F)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1F)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=S(=O)(c1cc(Cl)ccc1OC[*:1])N1CCOCC1
O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccccc1 O=S(=O)(N1CCOCC1)[*:1] O=C(COc1ccc(Cl)cc1[*:1])Nc1ccccc1
O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N[*:1]
Cc1csc([C@H](C)n2c([C@H](C)Cl)nc3c(C)nn(C)c32)n1 Cc1csc(n1)[*:1] Cc1nn(C)c2c1nc([C@H](C)Cl)n2[C@@H](C)[*:1]
Cc1csc([C@H](C)n2c([C@H](C)Cl)nc3c(C)nn(C)c32)n1 C[C@H](Cl)[*:1] Cc1csc(n1)[C@H](C)n1c(nc2c(C)nn(C)c21)[*:1]
Cc1cc(C)c(NC(=O)C2CCCC2)c(C)c1 C1CCC(C1)[*:1] Cc1cc(C)c(NC(=O)[*:1])c(C)c1
C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2cccc(Cn3cccn3)c2)C1 c1cnn(c1)C[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)NCc1cccc(c1)[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2cccc(Cn3cccn3)c2)C1 c1cnn(c1)[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)NCc1cccc(c1)C[*:1]
COCC(=O)N[C@H]1CCCc2nc(C)ncc21 COC[*:1] Cc1ncc2c(CCC[C@@H]2NC(=O)[*:1])n1
CN(CC1=NN=C(C2CC2)C1)C[C@H]1NOC2=C1CCCC2 C1CC1[*:1] CN(CC1CC(=NN=1)[*:1])C[C@H]1NOC2CCCCC=21
Cc1scc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1C FC(F)[*:1] Cc1scc(C(=O)N2CCC[C@@H](C2)[C@@H]2C[C@H](n3ncnc3N2)[*:1])c1C
Cc1scc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1C Cc1scc(c1C)[*:1] O=C(N1CCC[C@@H](C1)[C@@H]1C[C@H](C(F)F)n2ncnc2N1)[*:1]
N#Cc1cc([N+](=O)[O-])ccc1NCCOCCO OCCOC[*:1] N#Cc1cc(ccc1NC[*:1])[N+](=O)[O-]
N#Cc1cc([N+](=O)[O-])ccc1NCCOCCO OCCO[*:1] N#Cc1cc(ccc1NCC[*:1])[N+](=O)[O-]
N#Cc1cc([N+](=O)[O-])ccc1NCCOCCO OCC[*:1] N#Cc1cc(ccc1NCCO[*:1])[N+](=O)[O-]
N#Cc1cc([N+](=O)[O-])ccc1NCCOCCO OCCOCC[*:1] N#Cc1cc(ccc1N[*:1])[N+](=O)[O-]
N#Cc1cc([N+](=O)[O-])ccc1NCCOCCO O=[N+]([O-])[*:1] N#Cc1cc(ccc1NCCOCCO)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] Cc1ccc(cc1C(=O)NCCNc1ncc(cc1Cl)[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)NCCNc1ncc(cc1Cl)C(F)(F)F)[*:1]
CC(C)N(CCCO)C(=O)Cc1c(F)cccc1F CC(C)[*:1] O=C(Cc1c(F)cccc1F)N(CCCO)[*:1]
CC(C)N(CCCO)C(=O)Cc1c(F)cccc1F OCCC[*:1] CC(C)N(C(=O)Cc1c(F)cccc1F)[*:1]
CC(C)N(CCCO)C(=O)Cc1c(F)cccc1F OCC[*:1] CC(C)N(C[*:1])C(=O)Cc1c(F)cccc1F
Cc1ccccc1C(=O)NCCC(=O)NC[C@H](O)c1ccc(Cl)cc1 Cc1ccccc1[*:1] O=C(CCNC(=O)[*:1])NC[C@H](O)c1ccc(Cl)cc1
Cc1ccccc1C(=O)NCCC(=O)NC[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1C(=O)NCCC(=O)NC[C@H](O)[*:1]
COc1ccc2c(c1)[C@@H]([NH2+]CC(C)C)CCC2 CC(C)C[*:1] COc1ccc2CCC[C@H]([NH2+][*:1])c2c1
COc1ccc2c(c1)[C@@H]([NH2+]CC(C)C)CCC2 CC(C)[*:1] COc1ccc2CCC[C@H]([NH2+]C[*:1])c2c1
CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)[*:1]
CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCC1 CC(C)C[*:1] O=C([C@@H](NC1=NS(=O)(=O)c2ccccc21)[*:1])N1CCCC1
CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCC1 CC(C)[*:1] O=C([C@H](C[*:1])NC1=NS(=O)(=O)c2ccccc21)N1CCCC1
O=C(c1nnc2n1CCCC2)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 C1CC1C[*:1] O=C(c1nnc2CCCCn21)N1CC[C@]2(CCCN(C2=O)[*:1])C1
O=C(c1nnc2n1CCCC2)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 C1CC1[*:1] O=C(c1nnc2CCCCn21)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
C[C@@H](O)CN1CCN(C(=S)Nc2ccc(Br)cc2)C1=S C[C@@H](O)C[*:1] S=C(Nc1ccc(Br)cc1)N1CCN(C1=S)[*:1]
C[C@@H](O)CN1CCN(C(=S)Nc2ccc(Br)cc2)C1=S C[C@@H](O)[*:1] S=C(Nc1ccc(Br)cc1)N1CCN(C[*:1])C1=S
COCc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1 COC[*:1] C[C@@H]1CCC[C@H](C1)[NH2+]Cc1cccc(c1)[*:1]
COc1cnc(F)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1cnc(F)c(c1)[*:1]
[NH3+][C@@H]1CCCC[C@@H]1/N=C/[C@@H]1C(=O)N=C(S)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] [NH3+][C@@H]1CCCC[C@@H]1/N=C/[C@@H]1C(=O)N=C(S)N(C1=O)[*:1]
c1cnn(CCSc2ncnc3ccsc23)c1 c1cnn(c1)[*:1] c1nc(SCC[*:1])c2sccc2n1
COC[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C1CC1 COC[*:1] CN1C(=O)C[C@H]([NH2+][C@H](C2CC2)[*:1])[C@@H]1c1ccc(Cl)cc1
COC[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] COC[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1[*:1])C1CC1
COC[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] COC[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)[*:1]
CN(C)c1ccc(NC(=O)c2ccc(OCC(F)F)nc2)cn1 FC(F)[*:1] CN(C)c1ccc(cn1)NC(=O)c1ccc(nc1)OC[*:1]
CN(C)c1ccc(NC(=O)c2ccc(OCC(F)F)nc2)cn1 CN(C)[*:1] O=C(Nc1ccc(nc1)[*:1])c1ccc(nc1)OCC(F)F
CN(C)c1ccc(NC(=O)c2ccc(OCC(F)F)nc2)cn1 FC(F)CO[*:1] CN(C)c1ccc(cn1)NC(=O)c1ccc(nc1)[*:1]
CN(C)c1ccc(NC(=O)c2ccc(OCC(F)F)nc2)cn1 FC(F)C[*:1] CN(C)c1ccc(cn1)NC(=O)c1ccc(nc1)O[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 CC(C)C[*:1] COC(=O)[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 CC(C)[*:1] COC(=O)[C@H](C[*:1])NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
COC(=O)[C@H](CC(C)C)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 COC(=O)[*:1] CC(C)C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] COC(=O)[C@H](CC(C)C)NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
CN1c2ccsc2C(=O)/C(=C(\[O-])NCc2ccccc2)S1(=O)=O c1ccc(cc1)C[*:1] CN1c2ccsc2C(=O)/C(=C(\[O-])N[*:1])S1(=O)=O
CN1c2ccsc2C(=O)/C(=C(\[O-])NCc2ccccc2)S1(=O)=O c1ccc(cc1)[*:1] CN1c2ccsc2C(=O)/C(=C(\[O-])NC[*:1])S1(=O)=O
c1csc(N2CCN(CCn3cncn3)CC2)n1 c1ncn(C[*:1])n1 c1csc(n1)N1CCN(CC1)C[*:1]
c1csc(N2CCN(CCn3cncn3)CC2)n1 c1csc(n1)[*:1] c1ncn(CCN2CCN(CC2)[*:1])n1
c1csc(N2CCN(CCn3cncn3)CC2)n1 c1ncn(n1)[*:1] c1csc(n1)N1CCN(CC1)CC[*:1]
Cc1cc(-n2cncn2)ccc1C(=O)Nc1c(C)cccc1Cl c1ncn(n1)[*:1] Cc1cc(ccc1C(=O)Nc1c(C)cccc1Cl)[*:1]
CCSCCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCSCCC(=O)N1CCN(CC1)C[*:1]
CCSCCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 CCSCC[*:1] O=C(N1CCN(CC1)Cc1ccc(Cl)cc1)[*:1]
CCSCCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 CCS[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
CCSCCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 CCSC[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
CCNC(=O)CN(CC)C(=O)COc1nn(C)c2nc(C)cc(C)c12 CCNC(=O)[*:1] CCN(C[*:1])C(=O)COc1nn(C)c2nc(C)cc(C)c12
CCNC(=O)CN(CC)C(=O)COc1nn(C)c2nc(C)cc(C)c12 CCNC(=O)C[*:1] CCN(C(=O)COc1nn(C)c2nc(C)cc(C)c12)[*:1]
CCc1onc(C)c1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](C)CC CCc1onc(C)c1[*:1] CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[*:1]
CCc1onc(C)c1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](C)CC CC[C@@H](C)[*:1] CCc1onc(C)c1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[*:1]
O=C(CNc1ccc(Cl)cc1F)NC[C@@H]1COc2ccccc2O1 Fc1cc(Cl)ccc1[*:1] O=C(CN[*:1])NC[C@@H]1COc2ccccc2O1
Cc1cc(CN2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)CC2)on1 Cc1cc(C[*:1])on1 O=C(c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)CC2)on1 c1ccc(cc1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)c2cn(C[*:1])nc2-c2cccs2)on1
Cc1cc(CN2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)CC2)on1 c1csc(c1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)c2cn(Cc3ccccc3)nc2[*:1])on1
Cc1cc(CN2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)CC2)on1 Cc1cc(on1)[*:1] O=C(c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)CC2)on1 c1ccc(cc1)C[*:1] Cc1cc(CN2CCN(CC2)C(=O)c2cn(nc2-c2cccs2)[*:1])on1
Cc1cc(Cl)ccc1NC(=O)Cn1cc(N)cn1 Nc1cnn(c1)[*:1] Cc1cc(Cl)ccc1NC(=O)C[*:1]
COc1ccc(NC(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)N1C[C@@H](OC[C@@H]1C)[*:1]
COc1ccc(NC(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1 COc1ccc(cc1)[*:1] C[C@H]1CO[C@@H](CN1C(=O)N[*:1])c1ccccc1
CO[C@H](C)c1noc([C@]2([NH3+])CCOC2)n1 CO[C@H](C)[*:1] [NH3+][C@]1(CCOC1)c1nc(no1)[*:1]
COC(=O)/C(C#N)=C\Nc1cccc(O)c1 COC(=O)[*:1] N#CC(=CNc1cccc(O)c1)[*:1]
Cc1cccc(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2CC2)c1 CC(C)(C)[*:1] Cc1cccc(c1)CN(C(=O)[C@@H](C)NC(=O)O[*:1])C1CC1
Cc1cccc(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2CC2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C[*:1])C1CC1
Cc1cccc(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2CC2)c1 CC(C)(C)OC(=O)N[*:1] Cc1cccc(c1)CN(C(=O)[C@@H](C)[*:1])C1CC1
Cc1cccc(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)[*:1]
Cc1cccc(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2CC2)c1 Cc1cccc(c1)C[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C1CC1)[*:1]
C#CCOC[C@@H]1CCCN(C(=O)Cc2cn(C)c3ccccc23)C1 C#CCOC[*:1] Cn1cc(CC(=O)N2CCC[C@H](C2)[*:1])c2ccccc21
C#CCOC[C@@H]1CCCN(C(=O)Cc2cn(C)c3ccccc23)C1 C#CCO[*:1] Cn1cc(CC(=O)N2CCC[C@H](C2)C[*:1])c2ccccc21
C#CCOC[C@@H]1CCCN(C(=O)Cc2cn(C)c3ccccc23)C1 C#CC[*:1] Cn1cc(CC(=O)N2CCC[C@@H](CO[*:1])C2)c2ccccc21
Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1[C@@H](O)CC(C)(C)C2 Fc1ccc(c(F)c1)[*:1] Cc1c(oc2CC(C)(C)C[C@H](O)c21)C(=O)N[*:1]
CO[C@@H](C)c1nc(CN(C)C(=O)NC[C@@H](C)c2ccc(C)cc2)cs1 Cc1ccc(cc1)[*:1] CO[C@@H](C)c1nc(cs1)CN(C)C(=O)NC[C@@H](C)[*:1]
CO[C@@H](C)c1nc(CN(C)C(=O)NC[C@@H](C)c2ccc(C)cc2)cs1 CO[C@@H](C)[*:1] Cc1ccc(cc1)[C@H](C)CNC(=O)N(C)Cc1csc(n1)[*:1]
Cc1ccc(NC(=O)COc2ccc(Cl)cc2-n2cnnc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(COc1ccc(Cl)cc1-n1cnnc1)N[*:1]
Cc1ccc(NC(=O)COc2ccc(Cl)cc2-n2cnnc2)c(C)c1 c1nncn1[*:1] Cc1ccc(NC(=O)COc2ccc(Cl)cc2[*:1])c(C)c1
C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CCCS(C)(=O)=O)o1 CS(=O)(=O)C[*:1] C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CC[*:1])o1
C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CCCS(C)(=O)=O)o1 CS(=O)(=O)CCC[*:1] C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)[*:1])o1
C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CCCS(C)(=O)=O)o1 CS(=O)(=O)[*:1] C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CCC[*:1])o1
C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CCCS(C)(=O)=O)o1 CS(=O)(=O)CC[*:1] C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)C[*:1])o1
CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCO2)cc1OC C1CO[C@@H](C1)[*:1] CCOc1ccc(/C=C/C(=O)NC[*:1])cc1OC
CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCO2)cc1OC C1CO[C@@H](C1)C[*:1] CCOc1ccc(/C=C/C(=O)N[*:1])cc1OC
CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCO2)cc1OC CCO[*:1] COc1cc(/C=C/C(=O)NC[C@@H]2CCCO2)ccc1[*:1]
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCC2CCCCC2)CC1 C1CCC(CC1)C[*:1] C[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)C[*:1]
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCC2CCCCC2)CC1 C1CCC(CC1)CC[*:1] C[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)[*:1]
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCC2CCCCC2)CC1 C1CCC(CC1)[*:1] C[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)CC[*:1]
Cc1cc(=O)cc(C)n1C[C@](C)(O)CC(C)C CC(C)C[*:1] Cc1cc(=O)cc(C)n1C[C@](C)(O)[*:1]
Cc1cc(=O)cc(C)n1C[C@](C)(O)CC(C)C CC(C)[*:1] Cc1cc(=O)cc(C)n1C[C@](C)(O)C[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(cc1Cl)[*:1]
CCc1cc(NCc2c[nH]nc2-c2ccc(OC)cc2)n2nccc2n1 COc1ccc(cc1)[*:1] CCc1cc(NCc2c[nH]nc2[*:1])n2nccc2n1
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3n2)cc1 CN(C)S(=O)(=O)[*:1] O=C(Nc1ccc2ccccc2n1)c1ccc(cc1)[*:1]
CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@@H](C)C[NH+]2CCCC2)s1 CCc1nc(C)c(s1)[*:1] C[C@H](CNC(=O)N(C)[C@H](C)[*:1])C[NH+]1CCCC1
CCC[C@H]1NC(=O)N(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1=O Fc1ccc(cc1)[*:1] CCC[C@H]1NC(=O)N(Cc2nn(c3CCCc23)[*:1])C1=O
CCC[C@H]1NC(=O)N(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1=O CCC[*:1] O=C1N[C@@H](C(=O)N1Cc1nn(-c2ccc(F)cc2)c2CCCc12)[*:1]
Cc1cc(NC(=O)CCOC2CCOCC2)ccc1OC(C)C C1CC(CCO1)O[*:1] Cc1cc(ccc1OC(C)C)NC(=O)CC[*:1]
Cc1cc(NC(=O)CCOC2CCOCC2)ccc1OC(C)C C1CC(CCO1)[*:1] Cc1cc(ccc1OC(C)C)NC(=O)CCO[*:1]
Cc1cc(NC(=O)CCOC2CCOCC2)ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])NC(=O)CCOC1CCOCC1
Cc1cc(NC(=O)CCOC2CCOCC2)ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])NC(=O)CCOC1CCOCC1
CCOc1ccc2c(c1)CN(c1nnc(C)s1)CC2 Cc1nnc(s1)[*:1] CCOc1ccc2CCN(Cc2c1)[*:1]
CCOc1ccc2c(c1)CN(c1nnc(C)s1)CC2 CCO[*:1] Cc1nnc(s1)N1CCc2ccc(cc2C1)[*:1]
COc1cccc(-c2nnc(SCC(=O)c3cc4ccccc4oc3=O)o2)c1 COc1cccc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])c1cc2ccccc2oc1=O
CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1C1CCCC1 C1CCC(C1)[*:1] CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1[*:1]
CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1C1CCCC1 CCCCC[*:1] Cn1c2ccccc2c(=O)c2c(=O)n(c(nc21)[*:1])C1CCCC1
CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1C1CCCC1 CCC[*:1] Cn1c2ccccc2c(=O)c2c(=O)n(c(CC[*:1])nc21)C1CCCC1
CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1C1CCCC1 CCCC[*:1] Cn1c2ccccc2c(=O)c2c(=O)n(c(C[*:1])nc21)C1CCCC1
C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC(=O)NC1CCCC1 O=C(C[*:1])NC1CCCC1 C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC(=O)N[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 COCC[*:1] Cc1ccc(nc1)Oc1ccc(cc1)NC(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 Cc1ccc(nc1)[*:1] COCC[C@@H](C)C(=O)Nc1ccc(cc1)O[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 COC[*:1] Cc1ccc(nc1)Oc1ccc(cc1)NC(=O)[C@H](C)C[*:1]
O=C(NCc1ccccc1Cn1cccn1)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(NCc1ccccc1Cn1cccn1)[*:1]
O=C(NCc1ccccc1Cn1cccn1)c1ccc([N+](=O)[O-])o1 c1cnn(c1)[*:1] O=C(NCc1ccccc1C[*:1])c1ccc(o1)[N+](=O)[O-]
O=C(NCc1ccccc1Cn1cccn1)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(NCc1ccccc1Cn1cccn1)c1ccc(o1)[*:1]
O=C(NCc1ccccc1Cn1cccn1)c1ccc([N+](=O)[O-])o1 c1cnn(c1)C[*:1] O=C(NCc1ccccc1[*:1])c1ccc(o1)[N+](=O)[O-]
COC(=O)C1CCN(c2ncnc(Nc3cc(Cl)ccc3OC)c2[N+](=O)[O-])CC1 COC(=O)[*:1] COc1ccc(Cl)cc1Nc1ncnc(c1[N+](=O)[O-])N1CCC(CC1)[*:1]
COC(=O)C1CCN(c2ncnc(Nc3cc(Cl)ccc3OC)c2[N+](=O)[O-])CC1 COc1ccc(Cl)cc1[*:1] COC(=O)C1CCN(CC1)c1ncnc(N[*:1])c1[N+](=O)[O-]
COC(=O)C1CCN(c2ncnc(Nc3cc(Cl)ccc3OC)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] COC(=O)C1CCN(CC1)c1ncnc(Nc2cc(Cl)ccc2OC)c1[*:1]
Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)N[C@H](C)Cn3nc(C)cc3C)c2n1 Cc1cc(C)n(C[*:1])n1 Cc1cc(c2c(C)nn(CC(=O)N[C@H](C)[*:1])c2n1)C(F)(F)F
Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)N[C@H](C)Cn3nc(C)cc3C)c2n1 Cc1cc(C)n(n1)[*:1] Cc1cc(c2c(C)nn(CC(=O)N[C@H](C)C[*:1])c2n1)C(F)(F)F
Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)N[C@H](C)Cn3nc(C)cc3C)c2n1 FC(F)(F)[*:1] Cc1cc(c2c(C)nn(CC(=O)N[C@H](C)Cn3nc(C)cc3C)c2n1)[*:1]
Cc1ccc(-n2nnnc2NCc2cccnc2OC2CCCC2)cc1 Cc1ccc(cc1)[*:1] c1cnc(OC2CCCC2)c(c1)CNc1nnnn1[*:1]
Cc1ccc(-n2nnnc2NCc2cccnc2OC2CCCC2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)-n1nnnc1NCc1cccnc1O[*:1]
Cc1ccc(-n2nnnc2NCc2cccnc2OC2CCCC2)cc1 C1CCC(C1)O[*:1] Cc1ccc(cc1)-n1nnnc1NCc1cccnc1[*:1]
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 O=[N+]([O-])[*:1] C[C@@H](CNS(=O)(=O)c1ccc(cc1)[*:1])c1ccccc1
C=CCOc1ccc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 C=CC[*:1] O=C(c1ccc(cc1)O[*:1])N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1
C=CCOc1ccc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 Fc1cccc(c1)C[*:1] C=CCOc1ccc(cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C=CCOc1ccc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 Fc1cccc(c1)[*:1] C=CCOc1ccc(cc1)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
C=CCOc1ccc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 C=CCO[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc(S(N)(=O)=O)ccc3C)o2)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1)-c1nnc(o1)[C@@H](C)OC(=O)c1cc(ccc1C)[*:1]
Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc(S(N)(=O)=O)ccc3C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)O[C@H](C)c1nnc(o1)[*:1])S(N)(=O)=O
O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 Clc1cccc(Cl)c1[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ncc(C[*:1])s1
O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 Clc1cccc(Cl)c1C[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ncc(s1)[*:1]
CCOC(=O)c1ccc(CN(C)c2cc(C(C)C)[nH+][nH]2)o1 CC(C)[*:1] CCOC(=O)c1ccc(CN(C)c2cc([nH+][nH]2)[*:1])o1
CCOC(=O)c1ccc(CN(C)c2cc(C(C)C)[nH+][nH]2)o1 CCOC(=O)[*:1] CC(C)c1cc([nH][nH+]1)N(C)Cc1ccc(o1)[*:1]
CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)n3cccc(C)c3n2)C1=O CCCC[*:1] Cc1cccn2c(=O)cc(CN3C(=O)N[C@](C3=O)(c3ccc(F)cc3)[*:1])nc12
CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)n3cccc(C)c3n2)C1=O CCC[*:1] Cc1cccn2c(=O)cc(CN3C(=O)N[C@@](C[*:1])(C3=O)c3ccc(F)cc3)nc12
CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)n3cccc(C)c3n2)C1=O Fc1ccc(cc1)[*:1] CCCC[C@@]1(NC(=O)N(Cc2cc(=O)n3cccc(C)c3n2)C1=O)[*:1]
CN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)[C@H]1c1cccnc1 c1cncc(c1)[*:1] CN1C(=O)C[C@@H](C(=O)Nc2ccc(cc2)C(=O)c2nccn2C)[C@@H]1[*:1]
CN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)[C@H]1c1cccnc1 Cn1ccnc1[*:1] CN1C(=O)C[C@@H](C(=O)Nc2ccc(cc2)C(=O)[*:1])[C@H]1c1cccnc1
CN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)[C@H]1c1cccnc1 Cn1ccnc1C(=O)[*:1] CN1C(=O)C[C@@H](C(=O)Nc2ccc(cc2)[*:1])[C@H]1c1cccnc1
Cc1nc(S(=O)(=O)N[C@H](C)c2ccc(C#N)cc2)cn1C Cc1nc(cn1C)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1ccc(C#N)cc1
COc1ccc(CC/N=C/[C@H]2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 COc1ccc(cc1)C[*:1] O=C1[C@H](/C=N/C[*:1])C(=NN1c1nc2ccccc2s1)C(F)(F)F
COc1ccc(CC/N=C/[C@H]2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CC/N=C/[C@H]1C(=O)N(N=C1[*:1])c1nc2ccccc2s1
COc1ccc(CC/N=C/[C@H]2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1)CC/N=C/[C@H]1C(=O)N(N=C1C(F)(F)F)[*:1]
COc1ccc(CC/N=C/[C@H]2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 COc1ccc(cc1)[*:1] O=C1[C@H](/C=N/CC[*:1])C(=NN1c1nc2ccccc2s1)C(F)(F)F
COc1ccc(CC/N=C/[C@H]2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 COc1ccc(cc1)CC[*:1] O=C1[C@H](C=N[*:1])C(=NN1c1nc2ccccc2s1)C(F)(F)F
CCOC(=O)C1=NN(c2ccc(C)cc2Cl)[C@@](C)(C(=O)[O-])C1 O=C([O-])[*:1] CCOC(=O)C1C[C@](C)(N(N=1)c1ccc(C)cc1Cl)[*:1]
COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)s2)cc1C#N Clc1ccc(s1)[*:1] COc1ccc(cc1C#N)C[NH2+][C@H](C)[*:1]
C[C@H](O)C[C@H](C)CNC(=O)COc1ccc(Cl)cc1 C[C@H](O)[*:1] C[C@H](CNC(=O)COc1ccc(Cl)cc1)C[*:1]
C[C@H](O)C[C@H](C)CNC(=O)COc1ccc(Cl)cc1 C[C@H](O)C[*:1] C[C@H](CNC(=O)COc1ccc(Cl)cc1)[*:1]
CC[C@@H](CNC(=O)c1ccccc1F)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@@H](CNC(=O)c1ccccc1F)O[*:1]
CC[C@@H](CNC(=O)c1ccccc1F)Oc1cccc(F)c1 Fc1ccccc1[*:1] CC[C@@H](CNC(=O)[*:1])Oc1cccc(F)c1
Cc1ccc([C@@H](C)NC(=O)NCc2cc(=O)[nH]c3ccccc23)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCc1cc(=O)[nH]c2ccccc12)[*:1]
CCCCOc1cccc(C(=O)NNC(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] CCCCOc1cccc(c1)C(=O)NNC(=O)[*:1]
CCCCOc1cccc(C(=O)NNC(=O)C2CCCCC2)c1 CCCCO[*:1] O=C(NNC(=O)C1CCCCC1)c1cccc(c1)[*:1]
CCCCOc1cccc(C(=O)NNC(=O)C2CCCCC2)c1 CCCC[*:1] O=C(NNC(=O)C1CCCCC1)c1cccc(c1)O[*:1]
CCCCOc1cccc(C(=O)NNC(=O)C2CCCCC2)c1 CCC[*:1] O=C(NNC(=O)C1CCCCC1)c1cccc(c1)OC[*:1]
COc1ccc(C)c2sc(NC(=O)c3ccc(SC(C)C)cc3)nc12 CC(C)[*:1] COc1ccc(C)c2sc(nc12)NC(=O)c1ccc(cc1)S[*:1]
COc1ccc(C)c2sc(NC(=O)c3ccc(SC(C)C)cc3)nc12 CC(C)S[*:1] COc1ccc(C)c2sc(nc12)NC(=O)c1ccc(cc1)[*:1]
Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1CCC(C(C)(C)C)CC1 CC(C)(C)[*:1] Cc1nc2[C@H](CCCn2n1)NS(=O)(=O)N1CCC(CC1)[*:1]
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21)c1ccc2c(c1)OCCO2 O=S(=O)(N1CCCCC1)[*:1] O=C(Cn1c(=O)oc2cc(ccc21)[*:1])c1ccc2OCCOc2c1
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCCCC1)[*:1]
O=C(NCC1CC1)C(=O)Nc1ccc2c3c(cccc13)CC2 C1CC1C[*:1] O=C(Nc1ccc2CCc3cccc1c32)C(=O)N[*:1]
O=C(NCC1CC1)C(=O)Nc1ccc2c3c(cccc13)CC2 C1CC1[*:1] O=C(NC[*:1])C(=O)Nc1ccc2CCc3cccc1c32
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1=O Clc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)Nc2c(cccc2C(C)C)C(C)C)C1=O)[*:1]
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1=O CC(C)[*:1] CC[C@@]1(NC(=O)N(CC(=O)Nc2c(cccc2[*:1])C(C)C)C1=O)c1ccc(Cl)cc1
CCN(C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C1CC1 C1CC1[*:1] CCN(C(=O)N[C@@H]1CCN(C1=O)c1c(F)cccc1F)[*:1]
CN(CCOc1ccccc1)C(=O)Cn1cnnn1 c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)Cn1cnnn1
CN(CCOc1ccccc1)C(=O)Cn1cnnn1 c1nnnn1C[*:1] CN(CCOc1ccccc1)C(=O)[*:1]
CN(CCOc1ccccc1)C(=O)Cn1cnnn1 c1nnnn1[*:1] CN(CCOc1ccccc1)C(=O)C[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)CCC1CCCC1 C1CCC(C1)[*:1] CSc1ccccc1NC(=O)CN(C)C(=O)CC[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)CCC1CCCC1 C1CCC(C1)C[*:1] CSc1ccccc1NC(=O)CN(C)C(=O)C[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)CCC1CCCC1 C1CCC(C1)CC[*:1] CSc1ccccc1NC(=O)CN(C)C(=O)[*:1]
Cc1nc(CN(C)c2nccc(C(F)(F)F)n2)cs1 FC(F)(F)[*:1] Cc1nc(cs1)CN(C)c1nccc(n1)[*:1]
Cc1nc(CN(C)c2nccc(C(F)(F)F)n2)cs1 Cc1nc(cs1)[*:1] CN(C[*:1])c1nccc(n1)C(F)(F)F
COC(=O)c1cccc(C(=O)OCc2sc(C)nc2C)c1 COC(=O)[*:1] Cc1nc(C)c(COC(=O)c2cccc(c2)[*:1])s1
COC(=O)c1cccc(C(=O)OCc2sc(C)nc2C)c1 Cc1nc(C)c(s1)[*:1] COC(=O)c1cccc(c1)C(=O)OC[*:1]
COc1cccc(C(=O)N2CCNC(=O)[C@H]2C(C)C)n1 CC(C)[*:1] COc1cccc(n1)C(=O)N1CCNC(=O)[C@@H]1[*:1]
CCc1ccsc1CNC(=O)NC[C@@H](c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] CCc1ccsc1CNC(=O)NC[C@@H](N1CCOCC1)[*:1]
CCc1ccsc1CNC(=O)NC[C@@H](c1ccccc1)N1CCOCC1 CCc1ccsc1C[*:1] O=C(NC[C@@H](c1ccccc1)N1CCOCC1)N[*:1]
CCc1ccsc1CNC(=O)NC[C@@H](c1ccccc1)N1CCOCC1 CCc1ccsc1[*:1] O=C(NC[C@@H](c1ccccc1)N1CCOCC1)NC[*:1]
CCc1ccsc1CNC(=O)NC[C@@H](c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] CCc1ccsc1CNC(=O)NC[C@@H](c1ccccc1)[*:1]
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCC[C@H]1C c1coc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCCC[C@H]1C
C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)c1cccc(Cl)c1 O=S(=O)(N1CCOCC1)[*:1] C[C@H](Sc1ccc(cn1)[*:1])C(=O)c1cccc(Cl)c1
C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)c1cccc(Cl)c1 O=C(c1cccc(Cl)c1)[*:1] C[C@H](Sc1ccc(cn1)S(=O)(=O)N1CCOCC1)[*:1]
C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](Sc1ccc(cn1)S(=O)(=O)N1CCOCC1)C(=O)[*:1]
Cc1ccc(CNC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc2C(=O)N(CCCC(=O)N[*:1])C(=O)c2c1
Cc1ccc(CNC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2C(=O)N(CCCC(=O)NC[*:1])C(=O)c2c1
CC1CCN(C(=O)[C@@H](C)S(=O)(=O)Cc2cccc(C(=O)N(C)C)c2)CC1 CN(C)C(=O)[*:1] CC1CCN(CC1)C(=O)[C@@H](C)S(=O)(=O)Cc1cccc(c1)[*:1]
CC(=O)c1cn(Cc2ccc3c(c2)OCO3)c2ccccc12 CC(=O)[*:1] c1ccc2c(c1)c(cn2Cc1ccc2OCOc2c1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(OC)c(c1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 CCOC(=O)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(-c2ccc(=O)n(C[NH2+]C3(c4ccc(F)cc4)CCCC3)n2)s1 Fc1ccc(cc1)[*:1] Cc1ccc(s1)-c1ccc(=O)n(C[NH2+]C2(CCCC2)[*:1])n1
Cc1ccc(-c2ccc(=O)n(C[NH2+]C3(c4ccc(F)cc4)CCCC3)n2)s1 Cc1ccc(s1)[*:1] O=c1ccc(nn1C[NH2+]C1(CCCC1)c1ccc(F)cc1)[*:1]
CC(=O)Oc1cn(OC(C)=O)c2ccccc12 CC(=O)O[*:1] CC(=O)On1cc(c2ccccc21)[*:1]
CN(Cc1ccccc1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc(Br)c(c1)[N+](=O)[O-]
CN(Cc1ccccc1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(Cc1ccccc1)C(=O)c1ccc(Br)c(c1)[*:1]
CN(Cc1ccccc1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccc(Br)c(c1)[N+](=O)[O-])[*:1]
COc1ccc(Nc2ncc(CN3CCN(c4cn[nH]c(=O)c4)CC3)s2)cc1 COc1ccc(cc1)[*:1] O=c1cc(cn[nH]1)N1CCN(CC1)Cc1cnc(N[*:1])s1
COc1ccc(Nc2ncc(CN3CCN(c4cn[nH]c(=O)c4)CC3)s2)cc1 COc1ccc(cc1)N[*:1] O=c1cc(cn[nH]1)N1CCN(CC1)Cc1cnc(s1)[*:1]
COc1ccc(Nc2ncc(CN3CCN(c4cn[nH]c(=O)c4)CC3)s2)cc1 O=c1cc(cn[nH]1)[*:1] COc1ccc(cc1)Nc1ncc(CN2CCN(CC2)[*:1])s1
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)o1 Brc1cccc(c1)[*:1] COc1ccc(cc1-c1ccc(/C=C(\C#N)C(=O)N[*:1])o1)[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)o1 O=C(Nc1cccc(Br)c1)[*:1] COc1ccc(cc1-c1ccc(C=C(C#N)[*:1])o1)[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)o1 O=[N+]([O-])[*:1] COc1ccc(cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)o1)[*:1]
O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(CCC(=O)c1ccc2CCCCc2c1)NC[*:1]
CCCn1c(SCc2c(C)noc2C)nc2cc(S(N)(=O)=O)ccc21 Cc1noc(C)c1C[*:1] CCCn1c(nc2cc(ccc21)S(N)(=O)=O)S[*:1]
CCCn1c(SCc2c(C)noc2C)nc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CCCn1c(nc2cc(ccc21)[*:1])SCc1c(C)noc1C
CCCn1c(SCc2c(C)noc2C)nc2cc(S(N)(=O)=O)ccc21 Cc1noc(C)c1[*:1] CCCn1c(nc2cc(ccc21)S(N)(=O)=O)SC[*:1]
CCCn1c(SCc2c(C)noc2C)nc2cc(S(N)(=O)=O)ccc21 CCC[*:1] Cc1noc(C)c1CSc1nc2cc(ccc2n1[*:1])S(N)(=O)=O
COc1ccc([C@H](C)Nc2ccc(C(N)=O)nn2)cc1 NC(=O)[*:1] COc1ccc(cc1)[C@H](C)Nc1ccc(nn1)[*:1]
Cc1nc(-n2cccc2)sc1C(=O)Nc1nnc(C(C)C)s1 c1ccn(c1)[*:1] Cc1nc(sc1C(=O)Nc1nnc(s1)C(C)C)[*:1]
Cc1nc(-n2cccc2)sc1C(=O)Nc1nnc(C(C)C)s1 CC(C)[*:1] Cc1nc(sc1C(=O)Nc1nnc(s1)[*:1])-n1cccc1
O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 Clc1ccc(cc1)O[*:1] O[C@@H](C[NH+]1CCN(CC1)c1ccc(F)cc1)C[*:1]
O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 Clc1ccc(cc1)[*:1] O[C@H](CO[*:1])C[NH+]1CCN(CC1)c1ccc(F)cc1
O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(CC1)[*:1]
CCc1ccc(NC(=O)[C@H](C)Sc2nnc(N)s2)cc1 Nc1nnc(s1)[*:1] CCc1ccc(cc1)NC(=O)[C@H](C)S[*:1]
CC[C@H](C)NC(=O)[C@H](C)Oc1cccc(C=O)c1 CC[C@H](C)[*:1] C[C@H](Oc1cccc(C=O)c1)C(=O)N[*:1]
COc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)cc1OC COc1ccc(cc1OC)[*:1] O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NC[*:1])Oc2ccccc21
COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(Br)cc1 COC(C)(C)[*:1] C[C@@H](C[*:1])[NH2+]Cc1ccc(Br)cc1
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 Fc1ccccc1O[*:1] C[C@H](C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1)[*:1]
Cc1ccc(-c2c(C)nn(CC(=O)Nc3ccnn3C3CCCCC3)c2C)o1 C1CCC(CC1)[*:1] Cc1ccc(o1)-c1c(C)nn(CC(=O)Nc2ccnn2[*:1])c1C
Cc1ccc(-c2c(C)nn(CC(=O)Nc3ccnn3C3CCCCC3)c2C)o1 Cc1ccc(o1)[*:1] Cc1nn(CC(=O)Nc2ccnn2C2CCCCC2)c(C)c1[*:1]
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)N[C@H](CO)[*:1]
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N[C@H](CO)c1ccco1 FC(F)(F)[*:1] O=C(N[C@H](c1cccc(c1)[*:1])C1CC1)N[C@H](CO)c1ccco1
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N[C@H](CO)c1ccco1 OC[C@H](c1ccco1)[*:1] O=C(N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)N[*:1]
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N[C@H](CO)c1ccco1 C1CC1[*:1] O=C(N[C@H](c1cccc(c1)C(F)(F)F)[*:1])N[C@H](CO)c1ccco1
CCCCS(=O)(=O)N1CCCCCC1 CCCC[*:1] O=S(=O)(N1CCCCCC1)[*:1]
CCCCS(=O)(=O)N1CCCCCC1 CCC[*:1] O=S(=O)(C[*:1])N1CCCCCC1
CCn1c(N2CCC[C@@H](C(=O)NC3CCCC3)C2)[nH+]c2ccccc21 C1CCC(C1)[*:1] CCn1c([nH+]c2ccccc21)N1CCC[C@H](C1)C(=O)N[*:1]
CCn1c(N2CCC[C@@H](C(=O)NC3CCCC3)C2)[nH+]c2ccccc21 O=C(NC1CCCC1)[*:1] CCn1c([nH+]c2ccccc21)N1CCC[C@@H](C1)[*:1]
CCO[C@@H]1C[C@H](NC(=O)Cc2cc(C(C)=O)ccc2OC)C12CCCCC2 CC(=O)[*:1] CCO[C@@H]1C[C@H](NC(=O)Cc2cc(ccc2OC)[*:1])C12CCCCC2
CCO[C@@H]1C[C@H](NC(=O)Cc2cc(C(C)=O)ccc2OC)C12CCCCC2 CCO[*:1] COc1ccc(cc1CC(=O)N[C@H]1C[C@H](C12CCCCC2)[*:1])C(C)=O
O=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(NCc1nn(c2CCCc12)[*:1])NC1CCCCC1
O=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NCc1nn(-c2ccccc2)c2CCCc12)N[*:1]
Cc1ccc(C)c(NNC(=O)C[C@@H](O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NNC(=O)C[C@@H](O)[*:1]
CCc1nn(C)cc1C(=O)N1CCS[C@@H](C(C)C)C1 CC(C)[*:1] CCc1nn(C)cc1C(=O)N1CCS[C@@H](C1)[*:1]
COc1cc(C[NH+]2[C@H](C)CC[C@H]2C)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(cc(c1O)[*:1])C[NH+]1[C@H](C)CC[C@H]1C
O=S(=O)(/C=C/c1ccccc1)Nc1cccc(-c2cn3ccsc3n2)c1 c1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])Nc1cccc(c1)-c1cn2ccsc2n1
O=S(=O)(/C=C/c1ccccc1)Nc1cccc(-c2cn3ccsc3n2)c1 C(=C[*:1])c1ccccc1 O=S(=O)(Nc1cccc(c1)-c1cn2ccsc2n1)[*:1]
O=S(=O)(/C=C/c1ccccc1)Nc1cccc(-c2cn3ccsc3n2)c1 c1cn2cc(nc2s1)[*:1] O=S(=O)(/C=C/c1ccccc1)Nc1cccc(c1)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)N1CCO[C@@H](C1)c1ccccc1)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](C1)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)N1CCO[C@@H](C1)c1ccccc1
CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 CC(C)=C[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)[C@@H]1[C@@H](C1(C)C)[*:1]
COc1ccccc1COC(=O)COc1ccc2ccccc2c1 COc1ccccc1[*:1] O=C(COc1ccc2ccccc2c1)OC[*:1]
O=S(=O)(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1 Clc1ccccc1[*:1] O=S(=O)(Nc1cccc(c1)S(=O)(=O)N[*:1])c1ccccc1
O=S(=O)(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Nc1ccccc1Cl)c1cccc(c1)NS(=O)(=O)[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 c1ccc(cc1)[*:1] CC[C@@H]([C@@H]1CCCN1C(=O)c1cc(C#N)cs1)[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 N#Cc1csc(c1)[*:1] CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
C[C@@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1 c1csc(c1)[*:1] C[C@@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)NC[*:1]
C[C@@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1 O=C(C[*:1])NCc1cccs1 C[C@@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@@H]1CC[C@@H](O)[C@@H]2[*:1]
C[C@@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1 O=C(NCc1cccs1)[*:1] C[C@@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@@H]1CC[C@@H](O)[C@H]2C[*:1]
C[C@@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1 c1csc(c1)C[*:1] C[C@@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)N[*:1]
C[C@@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1 c1ccc(cc1)[*:1] C[C@@]12CC[C@H]3O[C@H](C[*:1])OC[C@@]3(C)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1
C[C@@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1 c1ccc(cc1)C[*:1] C[C@@]12CC[C@H]3O[C@H](OC[C@@]3(C)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1)[*:1]
Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(-c2nc([O-])c3cnn(C)c3n2)n1 Clc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(C)(C)O[*:1])n(n1)-c1nc([O-])c2cnn(C)c2n1
Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(-c2nc([O-])c3cnn(C)c3n2)n1 Clc1ccc(cc1)O[*:1] Cc1cc(NC(=O)C(C)(C)[*:1])n(n1)-c1nc([O-])c2cnn(C)c2n1
O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2ccnc(C3CC3)n2)CC1 Clc1cccc(c1)[*:1] O=C(N[*:1])N1CCCN(CC1)C(=O)c1ccnc(n1)C1CC1
O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2ccnc(C3CC3)n2)CC1 C1CC1[*:1] O=C(Nc1cccc(Cl)c1)N1CCCN(CC1)C(=O)c1ccnc(n1)[*:1]
O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2ccnc(C3CC3)n2)CC1 c1cc(nc(n1)C1CC1)[*:1] O=C(Nc1cccc(Cl)c1)N1CCCN(CC1)C(=O)[*:1]
O=C1NC(=O)c2ccccc2/C1=C/c1ccccc1 c1ccc(cc1)[*:1] O=C1NC(=O)c2ccccc2C1=C[*:1]
COCC(=O)N1CCN(C(=O)/C=C/c2ccc(OC(C)C)cc2)CC1 CC(C)O[*:1] COCC(=O)N1CCN(CC1)C(=O)/C=C/c1ccc(cc1)[*:1]
COCC(=O)N1CCN(C(=O)/C=C/c2ccc(OC(C)C)cc2)CC1 COC[*:1] CC(C)Oc1ccc(/C=C/C(=O)N2CCN(CC2)C(=O)[*:1])cc1
COCC(=O)N1CCN(C(=O)/C=C/c2ccc(OC(C)C)cc2)CC1 CC(C)[*:1] COCC(=O)N1CCN(CC1)C(=O)/C=C/c1ccc(cc1)O[*:1]
Cc1nc(N2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)NC3=O)CC2)c(C)c[nH+]1 Fc1ccc(cc1)[*:1] Cc1nc(c(C)c[nH+]1)N1CCC(CC1)[C@]1(C[*:1])NC(=O)NC1=O
Cc1nc(N2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)NC3=O)CC2)c(C)c[nH+]1 Fc1ccc(cc1)C[*:1] Cc1nc(c(C)c[nH+]1)N1CCC(CC1)[C@@]1(NC(=O)NC1=O)[*:1]
Cn1cccc1CN(Cc1cccs1)C(=O)c1ccc(Br)cc1 Cn1cccc1[*:1] O=C(c1ccc(Br)cc1)N(Cc1cccs1)C[*:1]
Cn1cccc1CN(Cc1cccs1)C(=O)c1ccc(Br)cc1 c1csc(c1)[*:1] Cn1cccc1CN(C[*:1])C(=O)c1ccc(Br)cc1
Cn1cccc1CN(Cc1cccs1)C(=O)c1ccc(Br)cc1 c1csc(c1)C[*:1] Cn1cccc1CN(C(=O)c1ccc(Br)cc1)[*:1]
Cn1cccc1CN(Cc1cccs1)C(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cn1cccc1CN(Cc1cccs1)C(=O)[*:1]
Cn1cccc1CN(Cc1cccs1)C(=O)c1ccc(Br)cc1 Cn1cccc1C[*:1] O=C(c1ccc(Br)cc1)N(Cc1cccs1)[*:1]
COCCOc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1F COCCO[*:1] O=C(Nc1ccc(c(F)c1)[*:1])N1CCC[C@@H](CC1)c1ccccc1
COCCOc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1F COC[*:1] O=C(Nc1ccc(OC[*:1])c(F)c1)N1CCC[C@@H](CC1)c1ccccc1
COCCOc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1F c1ccc(cc1)[*:1] COCCOc1ccc(cc1F)NC(=O)N1CCC[C@H](CC1)[*:1]
COCCOc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1F COCC[*:1] O=C(Nc1ccc(O[*:1])c(F)c1)N1CCC[C@@H](CC1)c1ccccc1
C[C@H]1CC[C@@]1(C(=O)[O-])c1ccc(Cl)cc1Cl O=C([O-])[*:1] C[C@H]1CC[C@]1(c1ccc(Cl)cc1Cl)[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cccc(C)c3)c2C)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cccc(C(=O)NC[*:1])c1C
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cccc(C)c3)c2C)cc1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cccc(C(=O)N[*:1])c1C
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cccc(C)c3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)CNC(=O)c1cccc(NS(=O)(=O)[*:1])c1C
C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 c1csc(n1)[*:1] C=CCOc1ccc(cc1)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 C=CCOc1ccc(cc1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](N1c1nccs1)[*:1]
C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 C=CCO[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(cc2)[*:1])N1c1nccs1
C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 C=CC[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(cc2)O[*:1])N1c1nccs1
CC(C)CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] CC(C)CC[*:1] O=C(N1CCc2c1cccc2[N+](=O)[O-])[*:1]
CC(C)CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] CC(C)C[*:1] O=C(C[*:1])N1CCc2c1cccc2[N+](=O)[O-]
CC(C)CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)CCC(=O)N1CCc2c1cccc2[*:1]
CC(C)CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] CC(C)[*:1] O=C(CC[*:1])N1CCc2c1cccc2[N+](=O)[O-]
COc1cccc(C(=O)Nc2cnn(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)Nc1cnn(n1)[*:1]
Cc1cccc(NC(=O)/C(C#N)=C/C=C/c2ccc(C#N)cc2)c1C Cc1cccc(c1C)[*:1] N#C/C(=C\C=C\c1ccc(C#N)cc1)C(=O)N[*:1]
Cc1cccc(NC(=O)/C(C#N)=C/C=C/c2ccc(C#N)cc2)c1C N#Cc1ccc(cc1)[*:1] Cc1cccc(NC(=O)/C(C#N)=C/C=C[*:1])c1C
COc1cccc(/C=C/C(=O)N2CCOc3ccccc32)c1OC(F)F FC(F)[*:1] COc1cccc(/C=C/C(=O)N2CCOc3ccccc32)c1O[*:1]
COc1cccc(/C=C/C(=O)N2CCOc3ccccc32)c1OC(F)F FC(F)O[*:1] COc1cccc(/C=C/C(=O)N2CCOc3ccccc32)c1[*:1]
NS(=O)(=O)[C@@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] NS(=O)(=O)[C@@H]1CCCN(C1)C(=O)CCC[*:1]
NS(=O)(=O)[C@@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 NS(=O)(=O)[*:1] O=C(CCCc1ccc(Cl)cc1)N1CCC[C@H](C1)[*:1]
Cc1cccc(-n2ccnc2S[C@H](C)C(=O)N2CCNC2=O)c1C Cc1cccc(c1C)[*:1] C[C@@H](Sc1nccn1[*:1])C(=O)N1CCNC1=O
Cc1cccc(-n2ccnc2S[C@H](C)C(=O)N2CCNC2=O)c1C O=C1NCCN1C(=O)[*:1] Cc1cccc(c1C)-n1ccnc1S[C@H](C)[*:1]
COc1ccccc1N1CC[NH+](CCNC(=O)C(=O)Nc2cccc(F)c2)CC1 COc1ccccc1[*:1] O=C(NCC[NH+]1CCN(CC1)[*:1])C(=O)Nc1cccc(F)c1
COc1ccccc1N1CC[NH+](CCNC(=O)C(=O)Nc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] COc1ccccc1N1CC[NH+](CCNC(=O)C(=O)N[*:1])CC1
Cc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)Nc1cccc(c1)OCc1cc(=O)n2c(ncn2[*:1])n1
Cc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)c1 Cc1cccc(c1)[*:1] CC(C)n1cnc2nc(cc(=O)n21)COc1cccc(c1)NC(=O)[*:1]
Cc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)c1 Cc1cccc(c1)C(=O)N[*:1] CC(C)n1cnc2nc(cc(=O)n21)COc1cccc(c1)[*:1]
CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)CNC(=O)c1ccccc1 C1CCC(CC1)[*:1] CC[C@](C)(C(=O)N[*:1])N(C)C(=O)CNC(=O)c1ccccc1
CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)CNC(=O)[*:1]
CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)CNC(=O)c1ccccc1 O=C(NC1CCCCC1)[*:1] CC[C@](C)(N(C)C(=O)CNC(=O)c1ccccc1)[*:1]
CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)CNC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)C[*:1]
O=C(Nc1ccccc1C(=O)Nc1ccnn1Cc1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccnn1Cc1ccccc1)c1ccccc1NC(=O)[*:1]
O=C(Nc1ccccc1C(=O)Nc1ccnn1Cc1ccccc1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(Nc1ccnn1Cc1ccccc1)c1ccccc1[*:1]
O=C(Nc1ccccc1C(=O)Nc1ccnn1Cc1ccccc1)c1ccco1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1C(=O)Nc1ccnn1[*:1])c1ccco1
O=C(Nc1ccccc1C(=O)Nc1ccnn1Cc1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)Nc1ccnn1C[*:1])c1ccco1
CCOC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12 CCOC(=O)[*:1] Cc1sc2ncn3c(nnc3c2c1C)SC[*:1]
CCOC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12 CCOC(=O)CS[*:1] Cc1sc2ncn3c(nnc3c2c1C)[*:1]
CCOC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12 CCOC(=O)C[*:1] Cc1sc2ncn3c(nnc3c2c1C)S[*:1]
COC[C@@H](C)N1CCN(C(=O)c2ccc(C)nc2C)CC1 COC[*:1] Cc1ccc(C(=O)N2CCN(CC2)[C@H](C)[*:1])c(C)n1
COC[C@@H](C)N1CCN(C(=O)c2ccc(C)nc2C)CC1 COC[C@@H](C)[*:1] Cc1ccc(C(=O)N2CCN(CC2)[*:1])c(C)n1
CCOCCCNC(=O)[C@H](C)N1CCCC2(C1)OCCO2 CCOCC[*:1] C[C@@H](C(=O)NC[*:1])N1CCCC2(C1)OCCO2
CCOCCCNC(=O)[C@H](C)N1CCCC2(C1)OCCO2 CCO[*:1] C[C@@H](C(=O)NCCC[*:1])N1CCCC2(C1)OCCO2
CCOCCCNC(=O)[C@H](C)N1CCCC2(C1)OCCO2 CCOC[*:1] C[C@@H](C(=O)NCC[*:1])N1CCCC2(C1)OCCO2
CCOCCCNC(=O)[C@H](C)N1CCCC2(C1)OCCO2 CCOCCC[*:1] C[C@@H](C(=O)N[*:1])N1CCCC2(C1)OCCO2
CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 CCO[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31
CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 CCOc1ccc(cc1)[*:1] C[C@H](C(=O)N[*:1])N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31
CNC(=O)c1ccc(C[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)cc1 CNC(=O)[*:1] C[C@@H]1CN(CCC[NH2+]Cc2ccc(cc2)[*:1])C[C@@H](C)O1
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] C[C@@H](Cc1ccc(cc1)C(F)(F)F)NCc1ccc(cc1)[*:1]
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCc1ccc([S@@](C)=O)cc1 FC(F)(F)[*:1] C[C@@H](Cc1ccc(cc1)[*:1])NCc1ccc(cc1)[S@@](C)=O
CCC[C@H](C)N1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1=O CCC[C@H](C)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
CCC[C@H](C)N1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1=O CCC[*:1] C[C@H](N1C[C@@H](CC1=O)C(=O)N1CCc2ccc(cc2C1)[N+](=O)[O-])[*:1]
CCC[C@H](C)N1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1=O O=[N+]([O-])[*:1] CCC[C@H](C)N1C[C@@H](CC1=O)C(=O)N1CCc2ccc(cc2C1)[*:1]
CSCC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)N1C(=O)c2ccccc2C1=O CSC[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H](C[*:1])N1C(=O)c2ccccc2C1=O
CSCC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)N1C(=O)c2ccccc2C1=O CC(=O)[*:1] CSCC[C@H](C(=O)Nc1ccc(cc1)[*:1])N1C(=O)c2ccccc2C1=O
CSCC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)N1C(=O)c2ccccc2C1=O CC(=O)c1ccc(cc1)[*:1] CSCC[C@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CSCC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)N1C(=O)c2ccccc2C1=O CSCC[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
COc1cccc([C@@H]2C(C(C)=O)=C([O-])C(=O)N2CCN2CCOCC2)c1 COc1cccc(c1)[*:1] CC(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1[*:1]
COc1cccc([C@@H]2C(C(C)=O)=C([O-])C(=O)N2CCN2CCOCC2)c1 C1CN(CCO1)CC[*:1] COc1cccc(c1)[C@@H]1C(C(C)=O)=C([O-])C(=O)N1[*:1]
COc1cccc([C@@H]2C(C(C)=O)=C([O-])C(=O)N2CCN2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)[C@@H]1C(C(C)=O)=C([O-])C(=O)N1CC[*:1]
COc1cccc([C@@H]2C(C(C)=O)=C([O-])C(=O)N2CCN2CCOCC2)c1 CC(=O)[*:1] COc1cccc(c1)[C@@H]1C(=C([O-])C(=O)N1CCN1CCOCC1)[*:1]
COc1cccc([C@@H]2C(C(C)=O)=C([O-])C(=O)N2CCN2CCOCC2)c1 C1CN(CCO1)C[*:1] COc1cccc(c1)[C@@H]1C(C(C)=O)=C([O-])C(=O)N1C[*:1]
CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl CNC(=O)[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CCC1(CC)CCN(C(=O)NC(=O)CCC(=O)[O-])C1 O=C([O-])C[*:1] CCC1(CC)CCN(C1)C(=O)NC(=O)C[*:1]
CCC1(CC)CCN(C(=O)NC(=O)CCC(=O)[O-])C1 O=C([O-])[*:1] CCC1(CC)CCN(C1)C(=O)NC(=O)CC[*:1]
CCC1(CC)CCN(C(=O)NC(=O)CCC(=O)[O-])C1 O=C([O-])CC[*:1] CCC1(CC)CCN(C1)C(=O)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)cc(Cl)n2)cc1 Cc1ccc(cc1)[*:1] CN(c1cc(cc(Cl)n1)C(F)(F)F)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)cc(Cl)n2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)c1cc(cc(Cl)n1)[*:1]
CCN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 c1ccc(cc1)C[*:1] CCN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(C(=O)[C@@H]1[C@@H]1CCCN12)[*:1]
CCN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 c1ccc(cc1)[*:1] CCN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(C[*:1])C(=O)[C@@H]1[C@@H]1CCCN12
COc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 O=C([O-])[*:1] COc1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(OCC(=O)Nc2nnc(-c3ccn(C(C)C)n3)o2)cc1 CC(C)[*:1] Cc1ccc(cc1)OCC(=O)Nc1nnc(o1)-c1ccn(n1)[*:1]
Cc1ccc(OCC(=O)Nc2nnc(-c3ccn(C(C)C)n3)o2)cc1 CC(C)n1ccc(n1)[*:1] Cc1ccc(cc1)OCC(=O)Nc1nnc(o1)[*:1]
Cc1ccc(OCC(=O)Nc2nnc(-c3ccn(C(C)C)n3)o2)cc1 Cc1ccc(cc1)O[*:1] CC(C)n1ccc(n1)-c1nnc(NC(=O)C[*:1])o1
Cc1ccc(OCC(=O)Nc2nnc(-c3ccn(C(C)C)n3)o2)cc1 Cc1ccc(cc1)[*:1] CC(C)n1ccc(n1)-c1nnc(NC(=O)CO[*:1])o1
COc1ccc([C@H](CC(=O)N(C)[C@H]2CCC[C@H](C)C2)NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@H](CC(=O)N(C)[C@H]1CCC[C@H](C)C1)[*:1]
COc1ccc([C@H](CC(=O)N(C)[C@H]2CCC[C@H](C)C2)NC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N(C)[C@H]1CCC[C@H](C)C1)[*:1]
COCCOCCSc1nc2c(cc1C#N)CCCC2 COCCO[*:1] N#Cc1cc2CCCCc2nc1SCC[*:1]
COCCOCCSc1nc2c(cc1C#N)CCCC2 COC[*:1] N#Cc1cc2CCCCc2nc1SCCOC[*:1]
COCCOCCSc1nc2c(cc1C#N)CCCC2 COCCOC[*:1] N#Cc1cc2CCCCc2nc1SC[*:1]
COCCOCCSc1nc2c(cc1C#N)CCCC2 COCC[*:1] N#Cc1cc2CCCCc2nc1SCCO[*:1]
CC[C@H](CSC)N(C)C(=O)c1ccc(C)nc1C CSC[*:1] CC[C@H](N(C)C(=O)c1ccc(C)nc1C)[*:1]
CCOc1cccc(NCc2ccc(CC(C)C)cc2)c1 CC(C)[*:1] CCOc1cccc(c1)NCc1ccc(cc1)C[*:1]
CCOc1cccc(NCc2ccc(CC(C)C)cc2)c1 CC(C)C[*:1] CCOc1cccc(c1)NCc1ccc(cc1)[*:1]
CCOc1cccc(NCc2ccc(CC(C)C)cc2)c1 CCO[*:1] CC(C)Cc1ccc(cc1)CNc1cccc(c1)[*:1]
COc1ccc(CNc2ccc(C(N)=O)nn2)cc1Br NC(=O)[*:1] COc1ccc(cc1Br)CNc1ccc(nn1)[*:1]
O=C([O-])c1cc(S(=O)(=O)NNC(=O)[C@H]2C=C(c3ccccc3)N=N2)ccc1F O=C([O-])[*:1] O=C(NNS(=O)(=O)c1ccc(F)c(c1)[*:1])[C@H]1C=C(N=N1)c1ccccc1
O=C([O-])c1cc(S(=O)(=O)NNC(=O)[C@H]2C=C(c3ccccc3)N=N2)ccc1F c1ccc(cc1)[*:1] O=C([O-])c1cc(ccc1F)S(=O)(=O)NNC(=O)[C@H]1C=C(N=N1)[*:1]
Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] Cc1ccc(NC(=O)c2ccco2)c(c1)NC(=O)[*:1]
Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2cccs2)c1 c1coc(c1)[*:1] Cc1ccc(NC(=O)[*:1])c(c1)NC(=O)c1cccs1
COC(=O)C1=C(C)C(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)=N[C@@H]1C COC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1cccs1
COC(=O)C1=C(C)C(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)=N[C@@H]1C c1csc(c1)[*:1] COC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(Cl)ccc1NC(=O)CSc1nnc(C(C)C)n1N CC(C)[*:1] Cc1cc(Cl)ccc1NC(=O)CSc1nnc(n1N)[*:1]
CC(C)CC1(CNC(=O)[C@@H](NC(N)=O)C(C)C)CCCC1 NC(=O)N[*:1] CC(C)CC1(CCCC1)CNC(=O)[C@@H](C(C)C)[*:1]
CC(C)CC1(CNC(=O)[C@@H](NC(N)=O)C(C)C)CCCC1 CC(C)[*:1] CC(C)CC1(CCCC1)CNC(=O)[C@@H](NC(N)=O)[*:1]
CC(C)CC1(CNC(=O)[C@@H](NC(N)=O)C(C)C)CCCC1 CC(C)C[*:1] CC(C)[C@H](NC(N)=O)C(=O)NCC1(CCCC1)[*:1]
CC(C)CC1(CNC(=O)[C@@H](NC(N)=O)C(C)C)CCCC1 CC(C)[*:1] CC(C)[C@H](NC(N)=O)C(=O)NCC1(CCCC1)C[*:1]
Cc1cc(C(=O)OC(C)C)c(NC(=O)c2ccncc2)s1 c1cc(ccn1)[*:1] Cc1cc(C(=O)OC(C)C)c(NC(=O)[*:1])s1
Cc1cc(C(=O)OC(C)C)c(NC(=O)c2ccncc2)s1 CC(C)OC(=O)[*:1] Cc1cc(c(NC(=O)c2ccncc2)s1)[*:1]
Cc1cc(C(=O)OC(C)C)c(NC(=O)c2ccncc2)s1 CC(C)[*:1] Cc1cc(C(=O)O[*:1])c(NC(=O)c2ccncc2)s1
CCCCN(CC)C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 CCC[*:1] CCN(C[*:1])C(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)NC(C)=O
CCCCN(CC)C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 CC(=O)N[*:1] CCCCN(CC)C(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCCCN(CC)C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 CCCC[*:1] CCN(C(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)NC(C)=O)[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(F)ccc3O)CC2)no1 Cc1cc(no1)[*:1] O=C(CN1CCN(CC1)C(=O)c1cc(F)ccc1O)N[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(F)ccc3O)CC2)no1 Oc1ccc(F)cc1[*:1] Cc1cc(no1)NC(=O)CN1CCN(CC1)C(=O)[*:1]
CCc1nc(C)c2c(C)c(C(=O)N(C)CC(=O)Nc3ccccc3Cl)sc2n1 Clc1ccccc1[*:1] CCc1nc(C)c2c(C)c(sc2n1)C(=O)N(C)CC(=O)N[*:1]
COC(=O)C[C@H](C)S[C@H]1CCN(c2c(F)cccc2F)C1=O COC(=O)[*:1] C[C@@H](C[*:1])S[C@H]1CCN(C1=O)c1c(F)cccc1F
COC(=O)C[C@H](C)S[C@H]1CCN(c2c(F)cccc2F)C1=O COC(=O)C[*:1] C[C@H](S[C@H]1CCN(C1=O)c1c(F)cccc1F)[*:1]
COC(=O)C[C@H](C)S[C@H]1CCN(c2c(F)cccc2F)C1=O COC(=O)C[C@H](C)[*:1] O=C1[C@H](CCN1c1c(F)cccc1F)S[*:1]
Cc1ccc(OCCNC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 Cc1ccc(cc1)O[*:1] Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC[*:1]
Cc1ccc(OCCNC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 Cc1ccc(cc1)[*:1] Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCO[*:1]
C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1)[*:1]
COCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1 COc1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)Nc1ccc(Cl)cc1
COCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1 COCC[*:1] COc1ccc(cc1)CN(C(=O)Nc1ccc(Cl)cc1)[*:1]
COCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1 COC[*:1] COc1ccc(cc1)CN(C[*:1])C(=O)Nc1ccc(Cl)cc1
COCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCN(Cc1ccc(cc1)OC)C(=O)N[*:1]
COC(=O)CN(Cc1ccccc1Cl)C(=O)/C=C/c1cccnc1 C(=C[*:1])c1cccnc1 COC(=O)CN(Cc1ccccc1Cl)C(=O)[*:1]
COC(=O)CN(Cc1ccccc1Cl)C(=O)/C=C/c1cccnc1 Clc1ccccc1C[*:1] COC(=O)CN(C(=O)/C=C/c1cccnc1)[*:1]
COC(=O)CN(Cc1ccccc1Cl)C(=O)/C=C/c1cccnc1 Clc1ccccc1[*:1] COC(=O)CN(C[*:1])C(=O)/C=C/c1cccnc1
COC(=O)CN(Cc1ccccc1Cl)C(=O)/C=C/c1cccnc1 COC(=O)[*:1] O=C(/C=C/c1cccnc1)N(Cc1ccccc1Cl)C[*:1]
COC(=O)CN(Cc1ccccc1Cl)C(=O)/C=C/c1cccnc1 c1cncc(c1)[*:1] COC(=O)CN(Cc1ccccc1Cl)C(=O)C=C[*:1]
COC(=O)CN(Cc1ccccc1Cl)C(=O)/C=C/c1cccnc1 COC(=O)C[*:1] O=C(/C=C/c1cccnc1)N(Cc1ccccc1Cl)[*:1]
CS(=O)(=O)CCNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 CS(=O)(=O)CC[*:1] O=C(N[*:1])c1ccn(n1)-c1ccc(Cl)cc1Cl
CS(=O)(=O)CCNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 CS(=O)(=O)C[*:1] O=C(NC[*:1])c1ccn(n1)-c1ccc(Cl)cc1Cl
CS(=O)(=O)CCNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 CS(=O)(=O)[*:1] O=C(NCC[*:1])c1ccn(n1)-c1ccc(Cl)cc1Cl
CC[C@H](C#N)OC(=O)c1ccc(Cl)cc1I CC[C@H](C#N)[*:1] O=C(O[*:1])c1ccc(Cl)cc1I
Cc1cccc(N2CCN(C(=O)Cn3c(=O)oc4ccccc43)C[C@@H]2C)c1 Cc1cccc(c1)[*:1] C[C@H]1CN(CCN1[*:1])C(=O)Cn1c(=O)oc2ccccc21
CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(F)c2Cl)c1 CCC(=O)N[*:1] Cc1ccc(cc1NC(=O)c1cccc(F)c1Cl)[*:1]
C[C@@H](ONC(=O)C1CCCC1)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](ONC(=O)C1CCCC1)C(=O)N(C)[*:1]
C[C@@H](ONC(=O)C1CCCC1)C(=O)N(C)c1ccccc1 C1CCC(C1)[*:1] C[C@@H](ONC(=O)[*:1])C(=O)N(C)c1ccccc1
COCc1nn2c3c(cnc2c1-c1ccc(OC)cc1)C(=O)C[C@@H](c1ccccc1)C3 COC[*:1] COc1ccc(cc1)-c1c(nn2c3C[C@@H](CC(=O)c3cnc12)c1ccccc1)[*:1]
COCc1nn2c3c(cnc2c1-c1ccc(OC)cc1)C(=O)C[C@@H](c1ccccc1)C3 COc1ccc(cc1)[*:1] COCc1nn2c3C[C@@H](CC(=O)c3cnc2c1[*:1])c1ccccc1
COCc1nn2c3c(cnc2c1-c1ccc(OC)cc1)C(=O)C[C@@H](c1ccccc1)C3 c1ccc(cc1)[*:1] COCc1nn2c3C[C@H](CC(=O)c3cnc2c1-c1ccc(cc1)OC)[*:1]
Cc1c(F)cccc1NC(=O)C(=O)NCc1cc(C#N)ccc1F Cc1c(F)cccc1[*:1] N#Cc1ccc(F)c(c1)CNC(=O)C(=O)N[*:1]
Cc1cc(C[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)c(C)o1 c1cnc(nc1)[*:1] Cc1cc(C[NH2+]C[C@@H]2CCCN(C2)[*:1])c(C)o1
Cc1cc(C[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)c(C)o1 Cc1cc(c(C)o1)[*:1] c1cnc(nc1)N1CCC[C@@H](C[NH2+]C[*:1])C1
Cc1cc([N-]S(=O)(=O)c2cccs2)no1 c1csc(c1)[*:1] Cc1cc(no1)[N-]S(=O)(=O)[*:1]
Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@H]2c2cccs2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H]1Nc2ncnn2[C@@H](c2cccs2)[C@@H]1C(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@H]2c2cccs2)c(C)c1 c1csc(c1)[*:1] Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@@H]2[*:1])c(C)c1
O=C(Nc1ccc(Br)c2ccccc12)[C@@H]1C[C@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(Br)c2ccccc12)[C@@H]1C[C@@H]1[*:1]
CCCC[C@H]([NH2+]C(C)C)[C@@H]1CCO[C@]2(CCOC2)C1 CC(C)[*:1] CCCC[C@H]([NH2+][*:1])[C@@H]1CCO[C@]2(CCOC2)C1
CCCC[C@H]([NH2+]C(C)C)[C@@H]1CCO[C@]2(CCOC2)C1 CCCC[*:1] CC(C)[NH2+][C@H]([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
CCCC[C@H]([NH2+]C(C)C)[C@@H]1CCO[C@]2(CCOC2)C1 CCC[*:1] CC(C)[NH2+][C@@H](C[*:1])[C@@H]1CCO[C@]2(CCOC2)C1
Cc1ccc(N2CCN(C(=O)[C@H](O)c3ccc4ccccc4c3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C([C@H](O)c1ccc2ccccc2c1)N1CCN(C(=O)C1)[*:1]
CN1C(=O)N(C[C@H](O)COCc2ccccc2F)C(=O)C12CCCCC2 Fc1ccccc1[*:1] CN1C(=O)N(C[C@H](O)COC[*:1])C(=O)C12CCCCC2
CN1C(=O)N(C[C@H](O)COCc2ccccc2F)C(=O)C12CCCCC2 Fc1ccccc1C[*:1] CN1C(=O)N(C[C@H](O)CO[*:1])C(=O)C12CCCCC2
COc1ccc(F)cc1[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] COc1ccc(F)cc1[C@@H](C)NC(=O)N1CCC[C@@H]1[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 FC(F)(F)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)[C@@H]1CCN(C[*:1])C1=O
C[C@@H](C(=O)N1CCCC1)N1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 FC(F)(F)C[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)[C@@H]1CCN(C1=O)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 O=C(N1CCCC1)[*:1] C[C@@H](N1CCN(CC1)[C@@H]1CCN(CC(F)(F)F)C1=O)[*:1]
O=C(CNC(=O)C1CCCC1)Nc1nc(C[NH+]2CCCCCC2)cs1 C1CCC(C1)[*:1] O=C(CNC(=O)[*:1])Nc1nc(cs1)C[NH+]1CCCCCC1
O=C(CNC(=O)C1CCCC1)Nc1nc(C[NH+]2CCCCCC2)cs1 O=C(N[*:1])C1CCCC1 O=C(C[*:1])Nc1nc(cs1)C[NH+]1CCCCCC1
C[C@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 C[C@H]1CCC[C@H](C1)[*:1] CN(C)S(=O)(=O)c1ccc(o1)C(=O)N[*:1]
C[C@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 CN(C)S(=O)(=O)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)c1ccc(o1)[*:1]
Cn1cc(N2CCC[C@H](NC(=O)NCc3ccccc3OCCO)C2)cn1 OCCO[*:1] Cn1cc(cn1)N1CCC[C@@H](C1)NC(=O)NCc1ccccc1[*:1]
Cn1cc(N2CCC[C@H](NC(=O)NCc3ccccc3OCCO)C2)cn1 OCC[*:1] Cn1cc(cn1)N1CCC[C@@H](C1)NC(=O)NCc1ccccc1O[*:1]
Cn1cc(N2CCC[C@H](NC(=O)NCc3ccccc3OCCO)C2)cn1 Cn1cc(cn1)[*:1] O=C(NCc1ccccc1OCCO)N[C@H]1CCCN(C1)[*:1]
CCS[C@H]1CCCCN(CC[NH+]2CCCCC2)C1 CCS[*:1] C1CC[NH+](CC1)CCN1CCCC[C@@H](C1)[*:1]
CC1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccnc3)nc2)CC1 c1cncc(c1)O[*:1] CC1CCC(CC1)NC(=O)C(=O)Nc1ccc(nc1)[*:1]
CC1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccnc3)nc2)CC1 c1cncc(c1)[*:1] CC1CCC(CC1)NC(=O)C(=O)Nc1ccc(nc1)O[*:1]
CC1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccnc3)nc2)CC1 CC1CCC(CC1)[*:1] O=C(Nc1ccc(nc1)Oc1cccnc1)C(=O)N[*:1]
Cc1cc(C[NH+]2CCC(OCCCO)CC2)ccc1Br OCC[*:1] Cc1cc(ccc1Br)C[NH+]1CCC(CC1)OC[*:1]
Cc1cc(C[NH+]2CCC(OCCCO)CC2)ccc1Br OCCC[*:1] Cc1cc(ccc1Br)C[NH+]1CCC(CC1)O[*:1]
Cc1cc(C[NH+]2CCC(OCCCO)CC2)ccc1Br OCCCO[*:1] Cc1cc(ccc1Br)C[NH+]1CCC(CC1)[*:1]
C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl NS(=O)(=O)[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1cc(ccc1Cl)[*:1]
NC(=O)c1csc(C[NH2+][C@@H](CO)c2ccccc2)c1 c1ccc(cc1)[*:1] NC(=O)c1csc(c1)C[NH2+][C@@H](CO)[*:1]
NC(=O)c1csc(C[NH2+][C@@H](CO)c2ccccc2)c1 NC(=O)[*:1] OC[C@H]([NH2+]Cc1cc(cs1)[*:1])c1ccccc1
CC(=O)/C(=C\N=[S@](C)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)/C(=C\N=[S@](C)(=O)[*:1])S(=O)(=O)c1ccc(Cl)cc1
CC(=O)/C(=C\N=[S@](C)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)/C(=C\N=[S@](C)(=O)c1ccc(Cl)cc1)S(=O)(=O)[*:1]
CC(=O)/C(=C\N=[S@](C)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 CC(=O)[*:1] C[S@](=O)(=N/C=C(/S(=O)(=O)c1ccc(Cl)cc1)[*:1])c1ccc(Cl)cc1
C[C@@H](CNC(=O)c1cccc(SCC#N)c1)c1ccc(F)cc1F N#CC[*:1] C[C@@H](CNC(=O)c1cccc(c1)S[*:1])c1ccc(F)cc1F
C[C@@H](CNC(=O)c1cccc(SCC#N)c1)c1ccc(F)cc1F N#CCS[*:1] C[C@@H](CNC(=O)c1cccc(c1)[*:1])c1ccc(F)cc1F
C[C@@H](CNC(=O)c1cccc(SCC#N)c1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](CNC(=O)c1cccc(c1)SCC#N)[*:1]
C=CCn1c(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)nc2ccccc2c1=O C=CC[*:1] Cc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
C=CCn1c(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)nc2ccccc2c1=O c1coc(c1)[*:1] C=CCn1c(nc2ccccc2c1=O)SCC(=O)N1N=C(C[C@@H]1[*:1])c1ccc(C)cc1
C=CCn1c(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)nc2ccccc2c1=O Cc1ccc(cc1)[*:1] C=CCn1c(nc2ccccc2c1=O)SCC(=O)N1N=C(C[C@H]1c1ccco1)[*:1]
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccccc1Cl)c1ccc2c(c1)OCO2 Clc1ccccc1[*:1] O=C(Nc1nc2c(CC[C@@H]2C(=O)NC[*:1])s1)c1ccc2OCOc2c1
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccccc1Cl)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(NCc1ccccc1Cl)[C@H]1CCc2sc(nc21)NC(=O)[*:1]
O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccccc1Cl)c1ccc2c(c1)OCO2 Clc1ccccc1C[*:1] O=C(Nc1nc2c(CC[C@@H]2C(=O)N[*:1])s1)c1ccc2OCOc2c1
CCC(CC)(C(=O)CCc1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] CCC(CC)(C(=O)CC[*:1])[NH+](C)C
CNC(=O)Cc1ccc(NC(=O)N(C)Cc2ccccc2C)cc1 CNC(=O)C[*:1] Cc1ccccc1CN(C)C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC(=O)N(C)Cc2ccccc2C)cc1 Cc1ccccc1C[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)N(C)[*:1]
CNC(=O)Cc1ccc(NC(=O)N(C)Cc2ccccc2C)cc1 CNC(=O)[*:1] Cc1ccccc1CN(C)C(=O)Nc1ccc(cc1)C[*:1]
CNC(=O)Cc1ccc(NC(=O)N(C)Cc2ccccc2C)cc1 Cc1ccccc1[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)N(C)C[*:1]
CC(C)(C)OC(=O)N1C[C@@H](COCc2ccccc2)O[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1C[C@@H](COCc2ccccc2)O[C@@H](C1)[*:1]
CC(C)(C)OC(=O)N1C[C@@H](COCc2ccccc2)O[C@@H](C(=O)[O-])C1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1C[C@@H](CO[*:1])O[C@H](C1)C(=O)[O-]
CC(C)(C)OC(=O)N1C[C@@H](COCc2ccccc2)O[C@@H](C(=O)[O-])C1 c1ccc(cc1)CO[*:1] CC(C)(C)OC(=O)N1C[C@@H](C[*:1])O[C@H](C1)C(=O)[O-]
CC(C)(C)OC(=O)N1C[C@@H](COCc2ccccc2)O[C@@H](C(=O)[O-])C1 CC(C)(C)[*:1] O=C([O-])[C@H]1CN(C[C@@H](COCc2ccccc2)O1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1C[C@@H](COCc2ccccc2)O[C@@H](C(=O)[O-])C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1C[C@@H](COC[*:1])O[C@H](C1)C(=O)[O-]
Cc1noc(CNc2ccc(C(=O)N3CCCC3)cc2)n1 Cc1noc(n1)[*:1] O=C(c1ccc(cc1)NC[*:1])N1CCCC1
Cc1noc(CNc2ccc(C(=O)N3CCCC3)cc2)n1 Cc1noc(C[*:1])n1 O=C(c1ccc(cc1)N[*:1])N1CCCC1
Cc1noc(CNc2ccc(C(=O)N3CCCC3)cc2)n1 O=C(N1CCCC1)[*:1] Cc1noc(CNc2ccc(cc2)[*:1])n1
Cc1ccc([C@H]([NH2+]Cc2nc(-c3ccco3)no2)c2ccccc2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@H]([NH2+]Cc1nc(no1)[*:1])c1ccccc1
Cc1ccc([C@H]([NH2+]Cc2nc(-c3ccco3)no2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]([NH2+]Cc1nc(no1)-c1ccco1)[*:1]
Cc1ccc([C@H]([NH2+]Cc2nc(-c3ccco3)no2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] c1ccc(cc1)[C@@H]([NH2+]Cc1nc(no1)-c1ccco1)[*:1]
COCCn1ccc2ccc(NC(=O)c3cccc(F)c3)cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])c1cccc(F)c1
COCCn1ccc2ccc(NC(=O)c3cccc(F)c3)cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)c1cccc(F)c1
COCCn1ccc2ccc(NC(=O)c3cccc(F)c3)cc21 Fc1cccc(c1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)[*:1]
CCN1c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2C(=O)C[C@H]1C c1ccc(cc1)[*:1] CCN1c2ccc(cc2C(=O)C[C@H]1C)C(=O)Nc1nc(cs1)[*:1]
O=C(/C=C\C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(/C=C\C(Cl)(Cl)Cl)c1ccc(cc1)[*:1]
O=C(/C=C\C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ClC(Cl)(Cl)[*:1] O=C(C=C[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1ccccc1[C@@H]1CCCN1C(=O)c1cnn2ccn(C)c12 Cc1ccccc1[*:1] Cn1ccn2ncc(C(=O)N3CCC[C@H]3[*:1])c12
CCOc1cc(C)ccc1NC(=O)C(=O)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCOc1cc(C)ccc1NC(=O)C(=O)NC[*:1]
CCOc1cc(C)ccc1NC(=O)C(=O)NCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] CCOc1cc(C)ccc1NC(=O)C(=O)N[*:1]
CCOc1cc(C)ccc1NC(=O)C(=O)NCc1cccc(Cl)c1 CCO[*:1] Cc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c(c1)[*:1]
COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(Cn3ccccc3=O)o2)n1 O=c1ccccn1[*:1] COc1ccc(C)cc1-c1csc(n1)NC(=O)c1ccc(C[*:1])o1
COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(Cn3ccccc3=O)o2)n1 COc1ccc(C)cc1[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(Cn2ccccc2=O)o1
COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(Cn3ccccc3=O)o2)n1 O=c1ccccn1C[*:1] COc1ccc(C)cc1-c1csc(n1)NC(=O)c1ccc(o1)[*:1]
CCOC(=O)C(C)(C)NCc1ncn(-c2ccccc2)n1 CCOC(=O)[*:1] CC(C)(NCc1ncn(n1)-c1ccccc1)[*:1]
CCOC(=O)C(C)(C)NCc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCOC(=O)C(C)(C)NCc1ncn(n1)[*:1]
CCOc1ccccc1NC(=O)N[C@@H](CC)c1cccs1 c1csc(c1)[*:1] CCOc1ccccc1NC(=O)N[C@@H](CC)[*:1]
CCOc1ccccc1NC(=O)N[C@@H](CC)c1cccs1 CCO[*:1] CC[C@H](NC(=O)Nc1ccccc1[*:1])c1cccs1
Cc1nccn1-c1ccc([C@@H](C)NC(=O)NCC[S@](=O)C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NC(=O)NCC[S@](=O)[*:1]
Cc1nccn1-c1ccc([C@@H](C)NC(=O)NCC[S@](=O)C(C)(C)C)cc1 Cc1nccn1[*:1] C[C@@H](NC(=O)NCC[S@](=O)C(C)(C)C)c1ccc(cc1)[*:1]
COc1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@H]1C[NH2+]C[C@H]1[*:1]
C[C@@H](NC(=O)c1cccnc1Cl)c1cccc2ccccc12 Clc1ncccc1[*:1] C[C@@H](NC(=O)[*:1])c1cccc2ccccc12
CC(C)CCN1c2nc(Cl)ncc2N(C)C(=O)[C@H]1C CC(C)C[*:1] C[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C[*:1]
CC(C)CCN1c2nc(Cl)ncc2N(C)C(=O)[C@H]1C CC(C)[*:1] C[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1CC[*:1]
CC(C)CCN1c2nc(Cl)ncc2N(C)C(=O)[C@H]1C CC(C)CC[*:1] C[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1[*:1]
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)CSC2=O)cc1 O=C1CSC(=O)N1[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)C[*:1])c1ccccc1
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)CSC2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)CN1C(=O)CSC1=O)[*:1]
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)CSC2=O)cc1 O=C1CSC(=O)N1C[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)[*:1])c1ccccc1
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)CSC2=O)cc1 COc1ccc(cc1)[*:1] O=C1CSC(=O)N1CC(=O)N1N=C(C[C@@H]1[*:1])c1ccccc1
CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1 Clc1ccc(cc1)N[*:1] CCOc1ccc(/C=C2/SC(=O)N(C[*:1])C2=O)cc1
CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1 CCO[*:1] O=C1S/C(=C/c2ccc(cc2)[*:1])C(=O)N1CNc1ccc(Cl)cc1
CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(/C=C2/SC(=O)N(CN[*:1])C2=O)cc1
COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cccc(NC(=O)c2nnn(CC(=O)N[*:1])c2C)c1C
COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)c(OC)c1 Cc1cccc(c1C)[*:1] COc1ccc(NC(=O)Cn2nnc(C(=O)N[*:1])c2C)c(c1)OC
Cc1cc(C(=O)N[C@H](CO)c2ccco2)cc(S(N)(=O)=O)c1C c1coc(c1)[*:1] Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)N[C@H](CO)[*:1]
Cc1cc(C(=O)N[C@H](CO)c2ccco2)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)N[C@H](CO)c1ccco1
CCc1ccccc1OCC(=O)NNC(=O)NC1CC[NH+](C2CC2)CC1 CCc1ccccc1[*:1] O=C(CO[*:1])NNC(=O)NC1CC[NH+](CC1)C1CC1
COCCn1c(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc2ccccc21 N#Cc1ccc(cc1)[*:1] COCCn1c(cc2ccccc21)C(=O)N[C@H](C)[*:1]
COCCn1c(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc2ccccc21 COC[*:1] C[C@@H](NC(=O)c1cc2ccccc2n1C[*:1])c1ccc(C#N)cc1
COCCn1c(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc2ccccc21 COCC[*:1] C[C@@H](NC(=O)c1cc2ccccc2n1[*:1])c1ccc(C#N)cc1
C[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1)c1cnn(c1)[*:1]
C[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1)c1cnn(-c2ccccc2)c1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CCNC(=O)[*:1])c1cnn(c1)-c1ccccc1
Cc1cc(NC(=O)C(=O)N(C)Cc2ccncc2)c2ncccc2c1 c1cc(ccn1)C[*:1] Cc1cc(NC(=O)C(=O)N(C)[*:1])c2ncccc2c1
Cc1cc(NC(=O)C(=O)N(C)Cc2ccncc2)c2ncccc2c1 c1cc(ccn1)[*:1] Cc1cc(NC(=O)C(=O)N(C)C[*:1])c2ncccc2c1
O=C(c1ccccc1F)N1CCN(Cc2nnnn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1F)N1CCN(CC1)Cc1nnnn1[*:1]
O=C(c1ccccc1F)N1CCN(Cc2nnnn2-c2ccccc2)CC1 Fc1ccccc1[*:1] O=C(N1CCN(CC1)Cc1nnnn1-c1ccccc1)[*:1]
C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1cccc(Cl)c1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)[*:1])c1cccc(Cl)c1
C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)[C@H]1CCCO1)[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)S[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1S[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1SC1CCCC1 Cc1n[nH]c(C)c1[*:1] O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@H]1[*:1]
O=C(COc1ccc(Cl)cc1Cl)NCC[C@@H]1CCCOC1 C1COC[C@@H](C1)C[*:1] O=C(COc1ccc(Cl)cc1Cl)NC[*:1]
CN(C)C(=O)Sc1cccc(CN2C(=O)c3ccc(F)cc3C2=O)c1 CN(C)C(=O)S[*:1] O=C1c2ccc(F)cc2C(=O)N1Cc1cccc(c1)[*:1]
CCc1nn(C)cc1CNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] CCc1nn(C)cc1CNc1cc(nc(n1)[*:1])C(F)(F)F
CCc1nn(C)cc1CNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 CCc1nn(C)cc1[*:1] FC(F)(F)c1cc(nc(n1)-c1cccnc1)NC[*:1]
CCc1nn(C)cc1CNc1cc(C(F)(F)F)nc(-c2cccnc2)n1 FC(F)(F)[*:1] CCc1nn(C)cc1CNc1cc(nc(n1)-c1cccnc1)[*:1]
Cc1ncccc1NCc1csc(-c2ccc(F)cc2)n1 Cc1ncccc1[*:1] Fc1ccc(cc1)-c1nc(cs1)CN[*:1]
Cc1ncccc1NCc1csc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1ncccc1NCc1csc(n1)[*:1]
COCCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nc2ccccc21 COCC[*:1] Cc1cc(Cl)ccc1NC(=O)CSc1nc2ccccc2n1[*:1]
COCCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nc2ccccc21 Cc1cc(Cl)ccc1[*:1] COCCn1c(nc2ccccc21)SCC(=O)N[*:1]
COCCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nc2ccccc21 COC[*:1] Cc1cc(Cl)ccc1NC(=O)CSc1nc2ccccc2n1C[*:1]
CCc1ccc(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc23)cc1 CC(=O)Nc1ccc(cc1)[*:1] CCc1ccc(cc1)CNC(=O)c1cc(nc2ccccc12)[*:1]
CCc1ccc(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc23)cc1 CC(=O)N[*:1] CCc1ccc(cc1)CNC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)[*:1]
CCc1ccc(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc23)cc1 CCc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)-c1cc(C(=O)NC[*:1])c2ccccc2n1
CCc1ccc(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc23)cc1 CCc1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)-c1cc(C(=O)N[*:1])c2ccccc2n1
O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1ccccn1)CC2 O=C(NCc1ccccn1)[*:1] O=C(c1ccccn1)N1CCc2c(C1)c(nn2CCc1ccccc1)[*:1]
O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1ccccn1)CC2 c1ccc(nc1)[*:1] O=C(NC[*:1])c1nn(CCc2ccccc2)c2CCN(Cc12)C(=O)c1ccccn1
O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1ccccn1)CC2 c1ccc(cc1)[*:1] O=C(NCc1ccccn1)c1nn(CC[*:1])c2CCN(Cc12)C(=O)c1ccccn1
O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1ccccn1)CC2 c1ccc(cc1)C[*:1] O=C(NCc1ccccn1)c1nn(C[*:1])c2CCN(Cc12)C(=O)c1ccccn1
O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1ccccn1)CC2 c1ccc(cc1)CC[*:1] O=C(NCc1ccccn1)c1nn(c2CCN(Cc12)C(=O)c1ccccn1)[*:1]
O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1ccccn1)CC2 c1ccc(C[*:1])nc1 O=C(N[*:1])c1nn(CCc2ccccc2)c2CCN(Cc12)C(=O)c1ccccn1
O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1ccccn1)CC2 c1ccc(nc1)[*:1] O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2CCN(Cc12)C(=O)[*:1]
C=CCN1CCN(C(=O)[C@@H](C)Oc2ccccc2C(C)C)CC1 CC(C)[*:1] C=CCN1CCN(CC1)C(=O)[C@@H](C)Oc1ccccc1[*:1]
C=CCN1CCN(C(=O)[C@@H](C)Oc2ccccc2C(C)C)CC1 C=CC[*:1] CC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(CC1)[*:1]
C[NH+](C)CCNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] C[NH+](C)CCNC(=O)[C@@H]1CCN(C1=O)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)n2nc(-c3ccccc3)nc2N1 c1ccc(cc1)[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)N[*:1])c1cccnc1)-c1ccccc1
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)n2nc(-c3ccccc3)nc2N1 O=C(Nc1ccccc1)[*:1] CC1Nc2nc(nn2[C@H](C=1[*:1])c1cccnc1)-c1ccccc1
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)n2nc(-c3ccccc3)nc2N1 c1cncc(c1)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)Nc1ccccc1)[*:1])-c1ccccc1
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)n2nc(-c3ccccc3)nc2N1 c1ccc(cc1)[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1ccccc1)c1cccnc1)[*:1]
CC[C@@]1(C2CCN(C(=O)[C@H]3N=NC4=C3CCCC4)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O c1cc2OCOc2cc1C[*:1] CC[C@]1(NC(=O)N(C1=O)[*:1])C1CCN(CC1)C(=O)[C@H]1N=NC2CCCCC=21
CC[C@@]1(C2CCN(C(=O)[C@H]3N=NC4=C3CCCC4)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O c1cc2OCOc2cc1[*:1] CC[C@]1(NC(=O)N(C[*:1])C1=O)C1CCN(CC1)C(=O)[C@H]1N=NC2CCCCC=21
CCc1ccccc1N1C[C@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O CCc1ccccc1[*:1] CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
CCc1ccccc1N1C[C@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O CC(C)c1nnc(s1)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)N[*:1]
CCc1ccccc1N1C[C@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O CC(C)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
Cc1ccc(CN2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1C Cc1ccc(cc1C)[*:1] C1CO[C@@H](C1)c1nnc2CCN(CCn21)C[*:1]
CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)c1cc(C#N)ccn1 CC(C)(C)[*:1] N#Cc1ccnc(c1)S(=O)(=O)C[C@@H]1CCCCN1C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)c1cc(C#N)ccn1 N#Cc1ccnc(c1)[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)[*:1]
COC[C@H](NC(=O)c1cc(C)ccc1C)C(N)=O COC[*:1] Cc1ccc(C)c(c1)C(=O)N[C@H](C(N)=O)[*:1]
COC[C@H](NC(=O)c1cc(C)ccc1C)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)c1cc(C)ccc1C)[*:1]
Cc1c(N)cccc1SCC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1c(N)cccc1SCC(=O)O[*:1]
CCC(CC)[C@H]([NH3+])CCC(C)C CC(C)C[*:1] CCC(CC)[C@H]([NH3+])C[*:1]
CCC(CC)[C@H]([NH3+])CCC(C)C CC(C)[*:1] CCC(CC)[C@H]([NH3+])CC[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccccc1[*:1])c1ccc(F)cc1
O=S(=O)(Cc1nc(-c2cccs2)no1)C[C@H](O)c1cccc(F)c1 c1csc(c1)[*:1] O=S(=O)(Cc1nc(no1)[*:1])C[C@H](O)c1cccc(F)c1
O=S(=O)(Cc1nc(-c2cccs2)no1)C[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=S(=O)(Cc1nc(no1)-c1cccs1)C[C@H](O)[*:1]
CC[C@@H]1CC(=O)N(Cc2ccc(/C=C/C(=O)[O-])cc2)C1 O=C([O-])C=C[*:1] CC[C@@H]1CC(=O)N(Cc2ccc(cc2)[*:1])C1
CC[C@@H]1CC(=O)N(Cc2ccc(/C=C/C(=O)[O-])cc2)C1 O=C([O-])[*:1] CC[C@@H]1CC(=O)N(Cc2ccc(C=C[*:1])cc2)C1
C[C@H]1C[C@@H](NC(=O)/C=C/C2CC2)CN1c1ccccc1 C1CC1[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)C=C[*:1]
C[C@H]1C[C@@H](NC(=O)/C=C/C2CC2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1[*:1])NC(=O)/C=C/C1CC1
C[C@H]1C[C@@H](NC(=O)/C=C/C2CC2)CN1c1ccccc1 C(=C[*:1])C1CC1 C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)[*:1]
Cc1cc(C(=O)N[C@H](C)C2CCCCC2)sc1C#CCN C1CCC(CC1)[*:1] Cc1cc(sc1C#CCN)C(=O)N[C@H](C)[*:1]
Cc1cc(C(=O)N[C@H](C)C2CCCCC2)sc1C#CCN NCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N[C@H](C)C1CCCCC1
Cc1ccccc1OCCN(C)S(=O)(=O)c1ncn(C)c1Cl Cn1cnc(c1Cl)[*:1] Cc1ccccc1OCCN(C)S(=O)(=O)[*:1]
Cc1ccccc1OCCN(C)S(=O)(=O)c1ncn(C)c1Cl Cc1ccccc1[*:1] CN(CCO[*:1])S(=O)(=O)c1ncn(C)c1Cl
COC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C COC(=O)[*:1] CC(C)[C@H](NC(=O)Nc1ccccc1)[*:1]
COC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C c1ccc(cc1)[*:1] COC(=O)[C@@H](NC(=O)N[*:1])C(C)C
COC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C CC(C)[*:1] COC(=O)[C@@H](NC(=O)Nc1ccccc1)[*:1]
O=C(CCc1cccs1)N1CC[C@]2(CCCN(CCO)C2=O)C1 c1csc(c1)CC[*:1] O=C1N(CCO)CCC[C@]12CCN(C2)C(=O)[*:1]
O=C(CCc1cccs1)N1CC[C@]2(CCCN(CCO)C2=O)C1 c1csc(c1)C[*:1] O=C(C[*:1])N1CC[C@]2(CCCN(CCO)C2=O)C1
O=C(CCc1cccs1)N1CC[C@]2(CCCN(CCO)C2=O)C1 OCC[*:1] O=C(CCc1cccs1)N1CC[C@]2(CCCN(C2=O)[*:1])C1
O=C(CCc1cccs1)N1CC[C@]2(CCCN(CCO)C2=O)C1 c1csc(c1)[*:1] O=C(CC[*:1])N1CC[C@]2(CCCN(CCO)C2=O)C1
CCn1cc(C(=O)N2CCc3nc4ccccc4c(=O)n3CC2)c(C)n1 CCn1cc(c(C)n1)[*:1] O=C(N1CCc2nc3ccccc3c(=O)n2CC1)[*:1]
CCn1nc(C)c(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1Cl NC(=O)[*:1] CCn1nc(C)c(C(=O)N2CC[C@@H](c3ccccc32)[*:1])c1Cl
CCC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 CCC[*:1] C[C@@H](NC(=O)COC(=O)c1c2CCCCCc2nc2ccccc12)[*:1]
CCC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 CCC[C@@H](C)NC(=O)C[*:1] O=C(O[*:1])c1c2CCCCCc2nc2ccccc12
CCC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 CCC[C@@H](C)NC(=O)[*:1] O=C(OC[*:1])c1c2CCCCCc2nc2ccccc12
CC(C)c1ncc(CN2CCS[C@@H](C)[C@H]2C)s1 CC(C)[*:1] C[C@@H]1SCCN(Cc2cnc(s2)[*:1])[C@@H]1C
CCn1cc(C(=O)Nc2ccc(Br)c(C)c2)c(=O)c2ccc(C)nc21 Cc1cc(ccc1Br)[*:1] CCn1cc(C(=O)N[*:1])c(=O)c2ccc(C)nc21
CC(C)Cn1ncnc1CC1(c2ccc(Br)cc2)C[NH2+]C1 CC(C)C[*:1] Brc1ccc(cc1)C1(C[NH2+]C1)Cc1ncnn1[*:1]
CC(C)Cn1ncnc1CC1(c2ccc(Br)cc2)C[NH2+]C1 Brc1ccc(cc1)[*:1] CC(C)Cn1ncnc1CC1(C[NH2+]C1)[*:1]
CC(C)Cn1ncnc1CC1(c2ccc(Br)cc2)C[NH2+]C1 CC(C)[*:1] Brc1ccc(cc1)C1(C[NH2+]C1)Cc1ncnn1C[*:1]
Cn1cc(COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)COC(=O)c1cnn(c1)-c1ccc(cc1)[*:1]
Cn1cc(COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cn1 Cn1cc(cn1)[*:1] O=C(OC[*:1])c1cnn(c1)-c1ccc(cc1)[N+](=O)[O-]
Cn1cc(COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cn1 Cn1cc(cn1)C[*:1] O=C(O[*:1])c1cnn(c1)-c1ccc(cc1)[N+](=O)[O-]
C[C@@H](C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)S(C)(=O)=O Fc1cccc(c1)[*:1] C[C@@H](C(=O)N1CCN(CC1)C(=O)[*:1])S(C)(=O)=O
C[C@@H](C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1)[*:1]
Nc1nnc(SCc2cnc(-c3ccccc3)s2)s1 c1ccc(cc1)[*:1] Nc1nnc(SCc2cnc(s2)[*:1])s1
Nc1nnc(SCc2cnc(-c3ccccc3)s2)s1 Nc1nnc(s1)[*:1] c1ccc(cc1)-c1ncc(CS[*:1])s1
CCc1c(C(=O)NNC(=O)Cc2ccncc2)[nH]c(C)c1C(C)=O c1cc(ccn1)C[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)NNC(=O)[*:1]
CCc1c(C(=O)NNC(=O)Cc2ccncc2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)NNC(=O)Cc1ccncc1
CCc1c(C(=O)NNC(=O)Cc2ccncc2)[nH]c(C)c1C(C)=O c1cc(ccn1)[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)NNC(=O)C[*:1]
CCc1cc(OCc2cccc(C)n2)c(C(=O)[O-])s1 O=C([O-])[*:1] CCc1cc(OCc2cccc(C)n2)c(s1)[*:1]
CC(=O)N[C@@H]1[C@@H](n2nc(-c3ccccc3)n(-c3ccccc3)c2=S)O[C@@H](CO)[C@@H](O)[C@@H]1O CC(=O)N[*:1] OC[C@@H]1O[C@@H]([C@H]([C@@H](O)[C@@H]1O)[*:1])n1nc(-c2ccccc2)n(-c2ccccc2)c1=S
CC(=O)N[C@@H]1[C@@H](n2nc(-c3ccccc3)n(-c3ccccc3)c2=S)O[C@@H](CO)[C@@H](O)[C@@H]1O c1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@H](O[C@@H](CO)[C@@H](O)[C@@H]1O)n1nc(-c2ccccc2)n(c1=S)[*:1]
CC(=O)N[C@@H]1[C@@H](n2nc(-c3ccccc3)n(-c3ccccc3)c2=S)O[C@@H](CO)[C@@H](O)[C@@H]1O c1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@H](O[C@@H](CO)[C@@H](O)[C@@H]1O)n1nc(n(-c2ccccc2)c1=S)[*:1]
CSCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 CSCC(=O)N[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCCCCC1
CSCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 CSC[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCCCC1)[*:1]
CCNC(=O)CSc1nc2cc(Cl)ccc2[nH]1 CCNC(=O)[*:1] Clc1ccc2[nH]c(nc2c1)SC[*:1]
CC(C)(C)C(=O)NC/C([O-])=N/S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)NC/C([O-])=N/S(=O)(=O)[*:1]
CC(C)(C)C(=O)NC/C([O-])=N/S(=O)(=O)c1ccccc1 CC(C)(C)[*:1] O=C(NC/C([O-])=N/S(=O)(=O)c1ccccc1)[*:1]
COc1ccccc1-c1c2c(=O)n(C3CCCCCC3)ccc2nc2ncnn12 C1CCCC(CC1)[*:1] COc1ccccc1-c1c2c(=O)n(ccc2nc2ncnn12)[*:1]
COc1ccccc1-c1c2c(=O)n(C3CCCCCC3)ccc2nc2ncnn12 COc1ccccc1[*:1] O=c1c2c(n3ncnc3nc2ccn1C1CCCCCC1)[*:1]
Cn1cc([C@H](CNC(=O)CN2C(=O)CCC2=O)[NH+](C)C)c2ccccc21 O=C1CCC(=O)N1[*:1] Cn1cc(c2ccccc21)[C@H](CNC(=O)C[*:1])[NH+](C)C
Cn1cc([C@H](CNC(=O)CN2C(=O)CCC2=O)[NH+](C)C)c2ccccc21 O=C1CCC(=O)N1C[*:1] Cn1cc(c2ccccc21)[C@H](CNC(=O)[*:1])[NH+](C)C
Cc1ccc2c(c1)N(C(=O)CCC(=O)NCc1ccc3c(c1)OCO3)C[C@@H](C)O2 c1cc2OCOc2cc1[*:1] Cc1ccc2O[C@H](C)CN(C(=O)CCC(=O)NC[*:1])c2c1
CC(C)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 C1CO[C@@H](C1)C[*:1] CC(C)c1ccc(cc1)C(=O)N([C@H]1CCSC1)[*:1]
CC(C)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)[*:1])N(C[C@@H]1CCCO1)[C@H]1CCSC1
CC(C)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 C1CO[C@@H](C1)[*:1] CC(C)c1ccc(cc1)C(=O)N(C[*:1])[C@H]1CCSC1
C/C=C/C(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 CC=C[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C
C/C=C/C(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] C/C=C/C(=O)O[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
C/C=C/C(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 C/C=C/C(=O)O[*:1] C[C@@H](C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C)[*:1]
O=C(NCCc1ccc(O)cc1)c1ccc(-c2cc3ccccc3s2)nc1N1CCOCC1 Oc1ccc(cc1)[*:1] O=C(NCC[*:1])c1ccc(nc1N1CCOCC1)-c1cc2ccccc2s1
O=C(NCCc1ccc(O)cc1)c1ccc(-c2cc3ccccc3s2)nc1N1CCOCC1 Oc1ccc(cc1)C[*:1] O=C(NC[*:1])c1ccc(nc1N1CCOCC1)-c1cc2ccccc2s1
O=C(NCCc1ccc(O)cc1)c1ccc(-c2cc3ccccc3s2)nc1N1CCOCC1 c1ccc2sc(cc2c1)[*:1] O=C(NCCc1ccc(O)cc1)c1ccc(nc1N1CCOCC1)[*:1]
O=C(NCCc1ccc(O)cc1)c1ccc(-c2cc3ccccc3s2)nc1N1CCOCC1 Oc1ccc(cc1)CC[*:1] O=C(N[*:1])c1ccc(nc1N1CCOCC1)-c1cc2ccccc2s1
O=C(NCCc1ccc(O)cc1)c1ccc(-c2cc3ccccc3s2)nc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(NCCc1ccc(O)cc1)c1ccc(nc1[*:1])-c1cc2ccccc2s1
COc1cccc(CN2CCC[NH+](CC(=O)Nc3ccc(F)cc3)S2(=O)=O)c1 COc1cccc(c1)C[*:1] O=C(C[NH+]1CCCN(S1(=O)=O)[*:1])Nc1ccc(F)cc1
COc1cccc(CN2CCC[NH+](CC(=O)Nc3ccc(F)cc3)S2(=O)=O)c1 COc1cccc(c1)[*:1] O=C(C[NH+]1CCCN(C[*:1])S1(=O)=O)Nc1ccc(F)cc1
COc1cccc(CN2CCC[NH+](CC(=O)Nc3ccc(F)cc3)S2(=O)=O)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CN1CCC[NH+](CC(=O)N[*:1])S1(=O)=O
COC(=O)c1ccc2c(=O)n(C[C@@H](O)c3ccccc3Cl)c(C)nc2c1 Clc1ccccc1[*:1] COC(=O)c1ccc2c(=O)n(C[C@@H](O)[*:1])c(C)nc2c1
COC(=O)c1ccc2c(=O)n(C[C@@H](O)c3ccccc3Cl)c(C)nc2c1 COC(=O)[*:1] Cc1nc2cc(ccc2c(=O)n1C[C@@H](O)c1ccccc1Cl)[*:1]
COC(=O)c1cc(N2CCC[C@@H](C(N)=O)C2)cc(C)c1N NC(=O)[*:1] COC(=O)c1cc(cc(C)c1N)N1CCC[C@@H](C1)[*:1]
COC(=O)c1cc(N2CCC[C@@H](C(N)=O)C2)cc(C)c1N COC(=O)[*:1] Cc1cc(cc(c1N)[*:1])N1CCC[C@H](C1)C(N)=O
COc1cc2c(c(C[NH+]3CCN([C@H](C)C(=O)N4CCCC4)CC3)c1)O[C@H](C)C2 C[C@H](C(=O)N1CCCC1)[*:1] COc1cc2C[C@@H](C)Oc2c(c1)C[NH+]1CCN(CC1)[*:1]
COc1cc2c(c(C[NH+]3CCN([C@H](C)C(=O)N4CCCC4)CC3)c1)O[C@H](C)C2 O=C(N1CCCC1)[*:1] COc1cc2C[C@@H](C)Oc2c(c1)C[NH+]1CCN(CC1)[C@H](C)[*:1]
Cc1ccccc1N1C[C@H](C)N(Cc2nc(-c3cccs3)oc2C)CC1=O c1csc(c1)[*:1] Cc1ccccc1N1C[C@H](C)N(CC1=O)Cc1nc(oc1C)[*:1]
Cc1ccccc1N1C[C@H](C)N(Cc2nc(-c3cccs3)oc2C)CC1=O Cc1ccccc1[*:1] Cc1oc(nc1CN1CC(=O)N(C[C@@H]1C)[*:1])-c1cccs1
O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc2occc2[nH]1 O=[N+]([O-])[*:1] O=C(NCCc1cccc(c1)[*:1])c1cc2occc2[nH]1
C[C@H]1CC(C(=O)NCc2ccc(OCc3ccccn3)cc2)C[C@H](C)O1 c1ccc(C[*:1])nc1 C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1ccc(cc1)O[*:1]
C[C@H]1CC(C(=O)NCc2ccc(OCc3ccccn3)cc2)C[C@H](C)O1 c1ccc(nc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1ccc(cc1)OC[*:1]
C[C@H]1CC(C(=O)NCc2ccc(OCc3ccccn3)cc2)C[C@H](C)O1 c1ccc(CO[*:1])nc1 C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1ccc(cc1)[*:1]
COC(=O)c1cc(NC(=O)CSc2nnnn2-c2ccccc2)ccc1Cl c1ccc(cc1)[*:1] COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnnn1[*:1]
COC(=O)c1cc(NC(=O)CSc2nnnn2-c2ccccc2)ccc1Cl COC(=O)[*:1] O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)c(c1)[*:1]
O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(SCc2ccccc2F)s1 Fc1ccccc1[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(SC[*:1])s1
O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(SCc2ccccc2F)s1 Fc1ccccc1C[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(S[*:1])s1
O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(SCc2ccccc2F)s1 Fc1ccccc1CS[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(s1)[*:1]
CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cncc(Br)c2)c1 CC[C@H](C)[*:1] O=C(NCc1cccc(c1)C(=O)N[*:1])c1cncc(Br)c1
CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cncc(Br)c2)c1 CC[C@H](C)NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])c1cncc(Br)c1
CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cncc(Br)c2)c1 Brc1cncc(c1)[*:1] CC[C@H](C)NC(=O)c1cccc(c1)CNC(=O)[*:1]
S=C(Nc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] S=C(Nc1ccc(Cl)cc1)N1CCN(CC1)[*:1]
S=C(Nc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] S=C(Nc1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
S=C(Nc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 Clc1ccc(cc1)[*:1] S=C(N[*:1])N1CCN(CC1)Cc1ccccc1
O=C(/C=C/c1ccc2c(c1)OCO2)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 Clc1ccccc1C[*:1] O=C(/C=C/c1ccc2OCOc2c1)C[C@]1(O)C(=O)N(c2ccccc21)[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 Clc1ccccc1[*:1] O=C(/C=C/c1ccc2OCOc2c1)C[C@]1(O)C(=O)N(C[*:1])c2ccccc21
O=C(/C=C/c1ccc2c(c1)OCO2)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 C(=C[*:1])c1ccc2OCOc2c1 O=C1N(Cc2ccccc2Cl)c2ccccc2[C@]1(O)CC(=O)[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 c1cc2OCOc2cc1[*:1] O=C(C=C[*:1])C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21
COCCCNC(=O)CN1CCN(c2ccc(Cl)cc2)C1=O COCC[*:1] O=C(CN1CCN(C1=O)c1ccc(Cl)cc1)NC[*:1]
COCCCNC(=O)CN1CCN(c2ccc(Cl)cc2)C1=O COC[*:1] O=C(CN1CCN(C1=O)c1ccc(Cl)cc1)NCC[*:1]
COCCCNC(=O)CN1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] COCCCNC(=O)CN1CCN(C1=O)[*:1]
COCCCNC(=O)CN1CCN(c2ccc(Cl)cc2)C1=O COCCC[*:1] O=C(CN1CCN(C1=O)c1ccc(Cl)cc1)N[*:1]
O=C(NCC#CCOc1ccccc1Cl)Nc1ccc2c(c1)OCO2 Clc1ccccc1[*:1] O=C(NCC#CCO[*:1])Nc1ccc2OCOc2c1
O=C(NCC#CCOc1ccccc1Cl)Nc1ccc2c(c1)OCO2 Clc1ccccc1O[*:1] O=C(NCC#CC[*:1])Nc1ccc2OCOc2c1
CN(C)S(=O)(=O)c1cc(C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)ccc1Cl CN(C)S(=O)(=O)[*:1] CC(C)(CNC(=O)c1ccc(Cl)c(c1)[*:1])[NH+]1CCc2ccccc2C1
N#CCCNC(=O)COc1ccc(C(=O)[O-])nc1 O=C([O-])[*:1] N#CCCNC(=O)COc1ccc(nc1)[*:1]
N#CCCNC(=O)COc1ccc(C(=O)[O-])nc1 N#CCC[*:1] O=C(COc1ccc(nc1)C(=O)[O-])N[*:1]
N#CCCNC(=O)COc1ccc(C(=O)[O-])nc1 N#CC[*:1] O=C(COc1ccc(nc1)C(=O)[O-])NC[*:1]
COc1ccc2nc(C(=O)O[C@@H](c3ccccn3)C(C)C)ccc2c1 c1ccc(nc1)[*:1] COc1ccc2nc(ccc2c1)C(=O)O[C@@H](C(C)C)[*:1]
COc1ccc2nc(C(=O)O[C@@H](c3ccccn3)C(C)C)ccc2c1 CC(C)[*:1] COc1ccc2nc(ccc2c1)C(=O)O[C@@H](c1ccccn1)[*:1]
CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 CC(C)C[*:1] C[C@H]([NH2+][C@H](C)C(=O)N[*:1])c1ccc(C#N)cc1
CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 CC(C)[*:1] C[C@H]([NH2+][C@H](C)C(=O)NC[*:1])c1ccc(C#N)cc1
COCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc3cccnc23)c1 COCCNC(=O)[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1cccc2cccnc12
COCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc3cccnc23)c1 COC[*:1] O=C(NC[*:1])c1cccc(c1)[N-]S(=O)(=O)c1cccc2cccnc12
COCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc3cccnc23)c1 COCC[*:1] O=C(N[*:1])c1cccc(c1)[N-]S(=O)(=O)c1cccc2cccnc12
O=C(Cc1cccc(C(F)(F)F)c1)N(CC1CC1)CC1CC1 C1CC1C[*:1] O=C(Cc1cccc(c1)C(F)(F)F)N(CC1CC1)[*:1]
O=C(Cc1cccc(C(F)(F)F)c1)N(CC1CC1)CC1CC1 C1CC1[*:1] O=C(Cc1cccc(c1)C(F)(F)F)N(CC1CC1)C[*:1]
O=C(Cc1cccc(C(F)(F)F)c1)N(CC1CC1)CC1CC1 FC(F)(F)[*:1] O=C(Cc1cccc(c1)[*:1])N(CC1CC1)CC1CC1
CCCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 CCC[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
CCCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 CCCNC(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCc2ccccc2C1
O=C1C[C@H](c2ccc3c(c2)OCO3)c2c([O-])nc(SCc3ccc(Cl)cc3)nc2N1 Clc1ccc(cc1)[*:1] O=C1C[C@H](c2ccc3OCOc3c2)c2c([O-])nc(nc2N1)SC[*:1]
O=C1C[C@H](c2ccc3c(c2)OCO3)c2c([O-])nc(SCc3ccc(Cl)cc3)nc2N1 Clc1ccc(cc1)C[*:1] O=C1C[C@H](c2ccc3OCOc3c2)c2c([O-])nc(nc2N1)S[*:1]
O=C1C[C@H](c2ccc3c(c2)OCO3)c2c([O-])nc(SCc3ccc(Cl)cc3)nc2N1 Clc1ccc(cc1)CS[*:1] O=C1C[C@H](c2ccc3OCOc3c2)c2c([O-])nc(nc2N1)[*:1]
O=C1C[C@H](c2ccc3c(c2)OCO3)c2c([O-])nc(SCc3ccc(Cl)cc3)nc2N1 c1cc2OCOc2cc1[*:1] O=C1C[C@H](c2c([O-])nc(nc2N1)SCc1ccc(Cl)cc1)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](Sc2ncc(C)cn2)C1 O=C([O-])[*:1] CC[NH2+][C@]1(CCC[C@H](C1)Sc1ncc(C)cn1)[*:1]
CC(C)Cn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccco1 CC(C)C[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CSc1nnc(-c2ccco2)n1[*:1]
CC(C)Cn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccco1 c1coc(c1)[*:1] CC(C)Cn1c(nnc1[*:1])SCC(=O)N1C[C@@H](C)C[C@H](C)C1
CC(C)Cn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccco1 CC(C)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CSc1nnc(-c2ccco2)n1C[*:1]
Cc1ccc(S(=O)(=O)NCCc2cc(N(C)C)nc(-c3ccccn3)n2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)S(=O)(=O)NCCc1cc(nc(n1)[*:1])N(C)C
Cc1ccc(S(=O)(=O)NCCc2cc(N(C)C)nc(-c3ccccn3)n2)cc1 Cc1ccc(cc1)[*:1] CN(C)c1cc(CCNS(=O)(=O)[*:1])nc(n1)-c1ccccn1
Cc1ccc(S(=O)(=O)NCCc2cc(N(C)C)nc(-c3ccccn3)n2)cc1 CN(C)[*:1] Cc1ccc(cc1)S(=O)(=O)NCCc1cc(nc(n1)-c1ccccn1)[*:1]
CC(C)c1cnc(NC(=O)Cc2ccc(F)c(F)c2)s1 CC(C)[*:1] O=C(Cc1ccc(F)c(F)c1)Nc1ncc(s1)[*:1]
O=C(C=C1CCSCC1)NCc1ccc(OCc2ccccn2)cc1 c1ccc(CO[*:1])nc1 O=C(C=C1CCSCC1)NCc1ccc(cc1)[*:1]
O=C(C=C1CCSCC1)NCc1ccc(OCc2ccccn2)cc1 c1ccc(C[*:1])nc1 O=C(C=C1CCSCC1)NCc1ccc(cc1)O[*:1]
O=C(C=C1CCSCC1)NCc1ccc(OCc2ccccn2)cc1 c1ccc(nc1)[*:1] O=C(C=C1CCSCC1)NCc1ccc(cc1)OC[*:1]
CC[C@H]([NH2+][C@H](CC)c1cccs1)c1c(C)noc1C c1csc(c1)[*:1] CC[C@H]([NH2+][C@H](CC)[*:1])c1c(C)noc1C
COc1ccc(CS(=O)(=O)Cc2nnc(C)n2C2CC2)cc1F C1CC1[*:1] COc1ccc(cc1F)CS(=O)(=O)Cc1nnc(C)n1[*:1]
O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 Clc1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])N1CCc2ccccc2C1
O=C(NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1OC(F)F FC(F)O[*:1] O=C(NCC(=O)N1CCC(CC1)c1nc2ccccc2s1)c1ccccc1[*:1]
O=C(NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1OC(F)F FC(F)[*:1] O=C(NCC(=O)N1CCC(CC1)c1nc2ccccc2s1)c1ccccc1O[*:1]
O=C(NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1OC(F)F c1ccc2sc(nc2c1)[*:1] O=C(NCC(=O)N1CCC(CC1)[*:1])c1ccccc1OC(F)F
O=C(NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1OC(F)F FC(F)Oc1ccccc1[*:1] O=C(CNC(=O)[*:1])N1CCC(CC1)c1nc2ccccc2s1
CC[C@H](C)c1ccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)cc1 NC(=O)[*:1] CC[C@H](C)c1ccc(cc1)NC(=O)Cn1c(C)cc(C)c(c1=O)[*:1]
CC[C@H](C)c1ccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)cc1 CC[C@H](C)[*:1] Cc1cc(C)n(CC(=O)Nc2ccc(cc2)[*:1])c(=O)c1C(N)=O
CC(=O)NC1CCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 C1CC1c1nc(no1)[*:1] CC(=O)NC1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CC(=O)NC1CCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 C1CC1[*:1] CC(=O)NC1CCN(CC1)C(=O)c1cccc(c1)-c1noc(n1)[*:1]
CC(=O)NC1CCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 CC(=O)N[*:1] O=C(c1cccc(c1)-c1noc(n1)C1CC1)N1CCC(CC1)[*:1]
COC(=O)c1ccc(CN2CCO[C@H](C)C2)cc1F COC(=O)[*:1] C[C@@H]1CN(CCO1)Cc1ccc(c(F)c1)[*:1]
O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 Fc1ccc(c(F)c1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCC[C@@H]2CCCC[C@@H]21
COc1cc(NC(=O)c2cccnc2Cl)ccc1-c1cc2ccccc2oc1=O Clc1ncccc1[*:1] COc1cc(ccc1-c1cc2ccccc2oc1=O)NC(=O)[*:1]
Cc1[nH+]ccn1CCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2 c1ccc(cc1)[*:1] Cc1[nH+]ccn1CCC(=O)N1CCC2(CC1)C[C@@H](C(=O)N2)[*:1]
COCCN(Cc1cccs1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 COC[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N(Cc1cccs1)C[*:1]
COCCN(Cc1cccs1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 c1csc(c1)C[*:1] COCCN(C(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
COCCN(Cc1cccs1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 c1csc(c1)[*:1] COCCN(C[*:1])C(=O)[C@H]1C=C[C@@H]([NH3+])C1
COCCN(Cc1cccs1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 COCC[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N(Cc1cccs1)[*:1]
CCc1ccc(CN(C)C(=O)CCNC(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CCc1ccc(cc1)CN(C)C(=O)CCNC(=O)[*:1]
CCc1ccc(CN(C)C(=O)CCNC(=O)c2ccc(Br)cc2)cc1 CCc1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCNC(=O)c1ccc(Br)cc1
NC(=O)c1ccc(NCc2cnn(-c3ccc(Cl)cc3)c2)nn1 Clc1ccc(cc1)[*:1] NC(=O)c1ccc(nn1)NCc1cnn(c1)[*:1]
NC(=O)c1ccc(NCc2cnn(-c3ccc(Cl)cc3)c2)nn1 NC(=O)[*:1] Clc1ccc(cc1)-n1cc(cn1)CNc1ccc(nn1)[*:1]
Cc1c([N+](=O)[O-])cc(C(C)(C)C)c(OC(=S)N(C)C)c1[N+](=O)[O-] CC(C)(C)[*:1] Cc1c(cc(c(OC(=S)N(C)C)c1[N+](=O)[O-])[*:1])[N+](=O)[O-]
Cc1c([N+](=O)[O-])cc(C(C)(C)C)c(OC(=S)N(C)C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(c(OC(=S)N(C)C)c1[N+](=O)[O-])C(C)(C)C)[*:1]
Cc1c([N+](=O)[O-])cc(C(C)(C)C)c(OC(=S)N(C)C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(c(OC(=S)N(C)C)c1[*:1])C(C)(C)C)[N+](=O)[O-]
Cc1c([N+](=O)[O-])cc(C(C)(C)C)c(OC(=S)N(C)C)c1[N+](=O)[O-] CN(C)C(=S)O[*:1] Cc1c(cc(c(c1[N+](=O)[O-])[*:1])C(C)(C)C)[N+](=O)[O-]
C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1nc(-c2ccco2)no1 C=CCNC(=O)[*:1] C[C@H](S(=O)(=O)Cc1nc(no1)-c1ccco1)[*:1]
C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1nc(-c2ccco2)no1 c1coc(c1)[*:1] C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1nc(no1)[*:1]
C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1nc(-c2ccco2)no1 C=CC[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1nc(no1)-c1ccco1
Cc1ccsc1CN(C)C(=O)c1ccc([S@@](=O)C(C)C)cc1 Cc1ccsc1C[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)N(C)[*:1]
Cc1ccsc1CN(C)C(=O)c1ccc([S@@](=O)C(C)C)cc1 CC(C)[*:1] Cc1ccsc1CN(C)C(=O)c1ccc(cc1)[S@@](=O)[*:1]
Cc1ccsc1CN(C)C(=O)c1ccc([S@@](=O)C(C)C)cc1 Cc1ccsc1[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)N(C)C[*:1]
O=C(Nc1cccc(Cn2cccn2)c1)c1cnns1 c1cnn(c1)[*:1] O=C(Nc1cccc(c1)C[*:1])c1cnns1
O=C(Nc1cccc(Cn2cccn2)c1)c1cnns1 c1cnn(c1)C[*:1] O=C(Nc1cccc(c1)[*:1])c1cnns1
O=C(Nc1cccc(Cn2cccn2)c1)c1cnns1 c1nnsc1[*:1] O=C(Nc1cccc(c1)Cn1cccn1)[*:1]
O=C1C[C@@H](/C([O-])=N/c2ncn[nH]2)CN1c1ccc2c(c1)OCCO2 c1n[nH]c(n1)[*:1] O=C1C[C@H](CN1c1ccc2OCCOc2c1)C([O-])=N[*:1]
COc1cccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1 CC(C)[*:1] COc1cccc(c1)NC(=O)[C@@H](NC(=O)c1ccco1)[*:1]
COc1cccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1 c1coc(c1)[*:1] COc1cccc(c1)NC(=O)[C@@H](NC(=O)[*:1])C(C)C
C[C@H](c1ccc(Cl)cc1)N(C(=O)C[C@@H](O)c1ccccc1)C1CC1 Clc1ccc(cc1)[*:1] C[C@H](N(C(=O)C[C@@H](O)c1ccccc1)C1CC1)[*:1]
C[C@H](c1ccc(Cl)cc1)N(C(=O)C[C@@H](O)c1ccccc1)C1CC1 c1ccc(cc1)[*:1] C[C@H](c1ccc(Cl)cc1)N(C(=O)C[C@@H](O)[*:1])C1CC1
C[C@H](c1ccc(Cl)cc1)N(C(=O)C[C@@H](O)c1ccccc1)C1CC1 C1CC1[*:1] C[C@H](c1ccc(Cl)cc1)N(C(=O)C[C@@H](O)c1ccccc1)[*:1]
C[C@H](c1ccc(Cl)cc1)N(C(=O)C[C@@H](O)c1ccccc1)C1CC1 O[C@@H](c1ccccc1)[*:1] C[C@H](c1ccc(Cl)cc1)N(C(=O)C[*:1])C1CC1
CC(C)OCCN1CCc2ccc(Cl)cc2C1 CC(C)[*:1] Clc1ccc2CCN(CCO[*:1])Cc2c1
CC(C)OCCN1CCc2ccc(Cl)cc2C1 CC(C)OC[*:1] Clc1ccc2CCN(Cc2c1)C[*:1]
CC(C)OCCN1CCc2ccc(Cl)cc2C1 CC(C)O[*:1] Clc1ccc2CCN(CC[*:1])Cc2c1
CNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12 CNC(=O)[*:1] COc1cccc(c1)-c1cc(c2ccccc2n1)[*:1]
C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 C=CC[*:1] O=C(Nc1ccc(Cl)cc1)Nc1nnc(COc2ccccc2[*:1])s1
C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] C=CCc1ccccc1OCc1nnc(NC(=O)N[*:1])s1
C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 C=CCc1ccccc1[*:1] O=C(Nc1ccc(Cl)cc1)Nc1nnc(CO[*:1])s1
[NH3+]CCc1noc([C@H]2CCCO2)n1 [NH3+]CC[*:1] C1CO[C@H](C1)c1nc(no1)[*:1]
C[C@H](Cc1ccccn1)NC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C c1ccc(C[*:1])nc1 C[C@H](NC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C)[*:1]
C[C@H](Cc1ccccn1)NC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C c1ccc(nc1)[*:1] C[C@H](C[*:1])NC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C
[NH3+][C@H](Cc1ccc(O)cc1)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 Oc1ccc(cc1)C[*:1] [NH3+][C@H](C(=O)Oc1ccc2c(=O)c(coc2c1)Oc1ccccc1)[*:1]
[NH3+][C@H](Cc1ccc(O)cc1)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 c1ccc(cc1)O[*:1] [NH3+][C@H](Cc1ccc(O)cc1)C(=O)Oc1ccc2c(=O)c(coc2c1)[*:1]
[NH3+][C@H](Cc1ccc(O)cc1)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 c1ccc(cc1)[*:1] [NH3+][C@H](Cc1ccc(O)cc1)C(=O)Oc1ccc2c(=O)c(coc2c1)O[*:1]
[NH3+][C@H](Cc1ccc(O)cc1)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 Oc1ccc(cc1)[*:1] [NH3+][C@H](C[*:1])C(=O)Oc1ccc2c(=O)c(coc2c1)Oc1ccccc1
CCc1nc2ccccc2n1C1CCN(c2ccnc(Cl)c2)CC1 Clc1cc(ccn1)[*:1] CCc1nc2ccccc2n1C1CCN(CC1)[*:1]
O=C(Cc1ccccc1)OCCN1CCN(C(=O)c2ccccc2O)CC1 c1ccc(cc1)[*:1] O=C(C[*:1])OCCN1CCN(CC1)C(=O)c1ccccc1O
O=C(Cc1ccccc1)OCCN1CCN(C(=O)c2ccccc2O)CC1 c1ccc(cc1)C[*:1] O=C(c1ccccc1O)N1CCN(CCOC(=O)[*:1])CC1
O=C(Cc1ccccc1)OCCN1CCN(C(=O)c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(Cc1ccccc1)OCCN1CCN(CC1)C(=O)[*:1]
O=S(=O)(/N=C(\c1ccccc1)N1CCc2ccccc2C1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=S(=O)(/N=C(/N1CCc2ccccc2C1)[*:1])c1ccc(F)cc1
O=S(=O)(/N=C(\c1ccccc1)N1CCc2ccccc2C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(/N=C(\c1ccccc1)N1CCc2ccccc2C1)[*:1]
CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])S/C1=N\c1ccc(OC)cc1 O=[N+]([O-])[*:1] CCN1C(=O)/C(=C/c2cc(OC)c(cc2[*:1])OC)S/C1=N\c1ccc(cc1)OC
CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])S/C1=N\c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN1C(=O)/C(=C/c2cc(OC)c(cc2[N+](=O)[O-])OC)SC1=N[*:1]
COC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](C(N)=O)C2)cc1 COC(=O)[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)/C=C/c1ccc(cc1)[*:1]
COC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](C(N)=O)C2)cc1 NC(=O)[*:1] COC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](C2)[*:1])cc1
Cc1nc2ccccc2n1C[C@H]1CN(C(C)C)CCO1 CC(C)[*:1] Cc1nc2ccccc2n1C[C@H]1CN(CCO1)[*:1]
O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1ccccc1F Fc1ccccc1[*:1] O=C(COc1ccc2CCCc2c1)NNC(=O)[*:1]
COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3C)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(=O)Nc2c1c(C)nn2C
COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3C)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1CC(=O)Nc2c1c(C)nn2C
COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3C)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1CC(=O)Nc2c1c(C)nn2C
O=C(Nc1cnc(-c2ccccc2)s1)N1CCC(C2CCOCC2)CC1 C1CC(CCO1)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)N1CCC(CC1)[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)N1CCC(C2CCOCC2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])N1CCC(CC1)C1CCOCC1
Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 Fc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)C1CCN(CC1)C(=O)c1nnc(s1)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 O=C(Nc1ccc(F)cc1)[*:1] Cc1cccc(C)c1NC(=O)C1CCN(CC1)C(=O)c1nnc(s1)[*:1]
Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 Cc1cccc(C)c1[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 Cc1cccc(C)c1NC(=O)[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)C(=O)N1CCC(CC1)[*:1]
C[NH+]=c1c(NS(=O)(=O)c2ccc(C(C)C)cc2)c(O)oc2ccccc12 CC(C)[*:1] C[NH+]=c1c(NS(=O)(=O)c2ccc(cc2)[*:1])c(O)oc2ccccc12
COc1cc(Br)c(CCC(=O)Nc2cc(C)cc(C)c2)cc1OC Cc1cc(C)cc(c1)[*:1] COc1cc(Br)c(cc1OC)CCC(=O)N[*:1]
COCc1cc(N2CC[C@@H]([NH3+])[C@@H](OC)C2)ncn1 COC[*:1] CO[C@H]1CN(CC[C@H]1[NH3+])c1cc(ncn1)[*:1]
C[S@@](=O)c1ccc(C[NH2+]CCC2CCCC2)cc1 C[S@@](=O)[*:1] c1cc(ccc1C[NH2+]CCC1CCCC1)[*:1]
C[S@@](=O)c1ccc(C[NH2+]CCC2CCCC2)cc1 C1CCC(C1)C[*:1] C[S@@](=O)c1ccc(cc1)C[NH2+]C[*:1]
C[S@@](=O)c1ccc(C[NH2+]CCC2CCCC2)cc1 C1CCC(C1)[*:1] C[S@@](=O)c1ccc(cc1)C[NH2+]CC[*:1]
COC[C@H](O)C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 COC[*:1] O[C@H](C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1)[*:1]
COC[C@H](O)C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 COC[C@H](O)[*:1] Clc1ccc(cc1Cl)[C@H]([NH2+]C[*:1])C1CC1
COC[C@H](O)C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 C1CC1[*:1] COC[C@H](O)C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[*:1]
Cn1nccc1CNc1ncc(C(N)=O)cc1Cl NC(=O)[*:1] Cn1nccc1CNc1ncc(cc1Cl)[*:1]
Cn1nccc1CNc1ncc(C(N)=O)cc1Cl Cn1nccc1[*:1] NC(=O)c1cnc(NC[*:1])c(Cl)c1
COCCN1CCN(Cc2noc(Cc3ccccc3)n2)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])Cc1noc(Cc2ccccc2)n1
COCCN1CCN(Cc2noc(Cc3ccccc3)n2)CC1=O c1ccc(cc1)[*:1] COCCN1CCN(CC1=O)Cc1noc(C[*:1])n1
COCCN1CCN(Cc2noc(Cc3ccccc3)n2)CC1=O c1ccc(cc1)C[*:1] COCCN1CCN(CC1=O)Cc1noc(n1)[*:1]
COCCN1CCN(Cc2noc(Cc3ccccc3)n2)CC1=O COCC[*:1] O=C1CN(CCN1[*:1])Cc1noc(Cc2ccccc2)n1
CCSc1cccc(C(=O)Nc2cccc3c2C(=O)N(C)C3=O)c1 CCS[*:1] CN1C(=O)c2cccc(NC(=O)c3cccc(c3)[*:1])c2C1=O
COCC(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 COC[*:1] C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(CC1)C(=O)[*:1]
COCC(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 N#CC[*:1] COCC(=O)N1CCN(CC1)[C@H](C)C(=O)N(C[*:1])c1ccccc1
COCC(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 N#CCC[*:1] COCC(=O)N1CCN(CC1)[C@H](C)C(=O)N(c1ccccc1)[*:1]
COCC(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] COCC(=O)N1CCN(CC1)[C@H](C)C(=O)N(CCC#N)[*:1]
COC(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)OCCO3)cs1 COC(=O)N[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc2OCCOc2c1
CN(C)C(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3cccc4cccnc34)CC2)cc1 CN(C)C(=O)[*:1] O=C(CN1CC[NH+](CC1)Cc1cccc2cccnc12)Nc1ccc(cc1)[*:1]
CN(C)C(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3cccc4cccnc34)CC2)cc1 c1cnc2c(cccc2c1)[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)CN1CC[NH+](CC1)C[*:1]
CN(Cc1ccc(Cl)s1)S(=O)(=O)c1cccc2cnccc12 Clc1ccc(s1)[*:1] CN(C[*:1])S(=O)(=O)c1cccc2cnccc12
CN(Cc1ccc(Cl)s1)S(=O)(=O)c1cccc2cnccc12 Clc1ccc(C[*:1])s1 CN(S(=O)(=O)c1cccc2cnccc12)[*:1]
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCc2cccc3cccnc23)cc1C c1cnc2c(cccc2c1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)OC[*:1]
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCc2cccc3cccnc23)cc1C Cc1ccc(cc1C)[*:1] O=C(OCc1cccc2cccnc12)[C@@H]1C[C@@H](O)CN1S(=O)(=O)[*:1]
O=C([O-])C[C@@H]1CN(C(=O)NCc2cccs2)CCO1 O=C([O-])[*:1] O=C(NCc1cccs1)N1CCO[C@@H](C1)C[*:1]
O=C([O-])C[C@@H]1CN(C(=O)NCc2cccs2)CCO1 c1csc(c1)C[*:1] O=C([O-])C[C@@H]1CN(CCO1)C(=O)N[*:1]
O=C([O-])C[C@@H]1CN(C(=O)NCc2cccs2)CCO1 c1csc(c1)[*:1] O=C([O-])C[C@@H]1CN(CCO1)C(=O)NC[*:1]
O=C([O-])C[C@@H]1CN(C(=O)NCc2cccs2)CCO1 O=C([O-])C[*:1] O=C(NCc1cccs1)N1CCO[C@@H](C1)[*:1]
COc1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)CNC(=O)c1cccc(C)c1[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)CCN1C(=O)CCC1=O c1cc(cs1)C[*:1] C[C@H](N(C)C(=O)CCN1C(=O)CCC1=O)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)CCN1C(=O)CCC1=O c1cc(cs1)[*:1] C[C@H](C[*:1])N(C)C(=O)CCN1C(=O)CCC1=O
C[C@H](Cc1ccsc1)N(C)C(=O)CCN1C(=O)CCC1=O O=C1CCC(=O)N1[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)CC[*:1]
O=C(/C=C\Sc1nc2ccccc2o1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(/C=C\Sc1nc2ccccc2o1)[*:1]
Cc1ccnc2c1[nH]c(=S)n2[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1ccnc2c1[nH]c(=S)n2[C@H]1C[C@@H]1[*:1]
O=C(Nc1ccc2c(c1)COC2)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2COCc2c1)C(c1ccccc1)[*:1]
COc1ccc(NC(=O)Cn2nc(N3CCCCCC3)c3ccccc3c2=O)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(Cn1nc(c2ccccc2c1=O)N1CCCCCC1)N[*:1]
COc1ccc(NC(=O)Cn2nc(N3CCCCCC3)c3ccccc3c2=O)cc1Cl C1CCCN(CC1)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1nc(c2ccccc2c1=O)[*:1]
CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N(C)CCC(C)(C)O)CO2 CC(C)(O)C[*:1] CN(C)C(=O)c1ccc2OC[C@@H](CC(=O)N(C)C[*:1])N(C)c2c1
CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N(C)CCC(C)(C)O)CO2 CN(C)C(=O)[*:1] CN(CCC(C)(C)O)C(=O)C[C@@H]1COc2ccc(cc2N1C)[*:1]
CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N(C)CCC(C)(C)O)CO2 CC(C)(O)[*:1] CN(C)C(=O)c1ccc2OC[C@@H](CC(=O)N(C)CC[*:1])N(C)c2c1
CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N(C)CCC(C)(C)O)CO2 CC(C)(O)CC[*:1] CN(C)C(=O)c1ccc2OC[C@@H](CC(=O)N(C)[*:1])N(C)c2c1
COc1cc(-c2nc(C(=O)NC3CC3)cs2)ccc1OCc1cc(F)cc(F)c1 O=C(NC1CC1)[*:1] COc1cc(ccc1OCc1cc(F)cc(F)c1)-c1nc(cs1)[*:1]
COc1cc(-c2nc(C(=O)NC3CC3)cs2)ccc1OCc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)C[*:1] COc1cc(ccc1O[*:1])-c1nc(cs1)C(=O)NC1CC1
COc1cc(-c2nc(C(=O)NC3CC3)cs2)ccc1OCc1cc(F)cc(F)c1 C1CC1[*:1] COc1cc(ccc1OCc1cc(F)cc(F)c1)-c1nc(cs1)C(=O)N[*:1]
COc1cc(-c2nc(C(=O)NC3CC3)cs2)ccc1OCc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] COc1cc(ccc1OC[*:1])-c1nc(cs1)C(=O)NC1CC1
Cc1csc(CC(=O)N2CCN(c3nc(C(F)(F)F)nc4ccccc34)CC2)n1 Cc1csc(n1)[*:1] O=C(C[*:1])N1CCN(CC1)c1nc(nc2ccccc12)C(F)(F)F
Cc1csc(CC(=O)N2CCN(c3nc(C(F)(F)F)nc4ccccc34)CC2)n1 FC(F)(F)[*:1] Cc1csc(CC(=O)N2CCN(CC2)c2nc(nc3ccccc23)[*:1])n1
Cc1csc(CC(=O)N2CCN(c3nc(C(F)(F)F)nc4ccccc34)CC2)n1 Cc1csc(C[*:1])n1 O=C(N1CCN(CC1)c1nc(nc2ccccc12)C(F)(F)F)[*:1]
CCCOC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C CCC[*:1] CC(C)[C@H]1CC[C@H](C)C[C@@]1(O)CO[*:1]
CCCOC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C CCCO[*:1] CC(C)[C@H]1CC[C@H](C)C[C@@]1(O)C[*:1]
CCCOC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C CCCOC[*:1] CC(C)[C@H]1CC[C@H](C)C[C@]1(O)[*:1]
CCCOC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C CC(C)[*:1] CCCOC[C@]1(O)C[C@@H](C)CC[C@H]1[*:1]
O=C([C@@H]1CCOC1)N1CCO[C@H](c2ccc(Br)cc2)C1 C1C[C@H](CO1)[*:1] O=C(N1CCO[C@@H](C1)c1ccc(Br)cc1)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2ccn(C)c2c1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)c1ccc2ccn(C)c2c1)[*:1]
CCc1cccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)ccc2=O)c1 Cc1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)[C@@H](C)n1nc(ccc1=O)[*:1]
CCc1cccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)ccc2=O)c1 CCc1cccc(c1)[*:1] Cc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)N[*:1]
O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)C(=O)N[*:1]
O=C1CSC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)N1 FC(F)(F)[*:1] O=C1CSC2(CCN(CC2)c2ncc(cc2Cl)[*:1])N1
CC[C@@H]([NH2+][C@H]1CCSc2c(Cl)cccc21)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H]([NH2+][C@H]1CCSc2c(Cl)cccc21)[*:1]
CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC[S@]1=O Clc1ccccc1[*:1] CC1(C)CN(CC[S@]1=O)C(=O)[C@@H]1C[C@H]1[*:1]
Cc1ccc(-c2noc(C[S@](=O)Cc3ccccc3C)n2)cc1F Cc1ccccc1[*:1] Cc1ccc(cc1F)-c1noc(C[S@](=O)C[*:1])n1
Cc1ccc(-c2noc(C[S@](=O)Cc3ccccc3C)n2)cc1F Cc1ccccc1C[*:1] Cc1ccc(cc1F)-c1noc(C[S@](=O)[*:1])n1
Cc1ccc(-c2noc(C[S@](=O)Cc3ccccc3C)n2)cc1F Cc1ccc(cc1F)[*:1] Cc1ccccc1C[S@@](=O)Cc1nc(no1)[*:1]
CN(Cc1ccc(O)cc1)C(=O)c1c(F)ccc(N)c1F Oc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1c(F)ccc(N)c1F
O=C(CCNC(=O)c1ccccc1Cl)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCNC(=O)c1ccccc1Cl)NC[*:1]
O=C(CCNC(=O)c1ccccc1Cl)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCNC(=O)c1ccccc1Cl)N[*:1]
O=C(CCNC(=O)c1ccccc1Cl)NCc1ccccc1 Clc1ccccc1[*:1] O=C(CCNC(=O)[*:1])NCc1ccccc1
COc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(C)o2)cc1C Cc1ccc(o1)[*:1] COc1ccc(cc1C)S(=O)(=O)NC[C@H](O)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1nc2ncc(Br)cn2n1 CSC[*:1] CC[C@@H](N(C)C(=O)c1nc2ncc(Br)cn2n1)[*:1]
CC[C@](C)([NH2+]CCO[C@@H]1CCCC[C@@H]1C)c1nccs1 c1csc(n1)[*:1] CC[C@](C)([NH2+]CCO[C@@H]1CCCC[C@@H]1C)[*:1]
CCCCS(=O)(=O)N1CCN(c2ncccn2)CC1 CCCC[*:1] O=S(=O)(N1CCN(CC1)c1ncccn1)[*:1]
CCCCS(=O)(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CCCCS(=O)(=O)N1CCN(CC1)[*:1]
CCCCS(=O)(=O)N1CCN(c2ncccn2)CC1 CCC[*:1] O=S(=O)(C[*:1])N1CCN(CC1)c1ncccn1
CC[NH+]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)C(=O)c1ccc(OC)c(c1)S(=O)(=O)N[*:1]
CC[NH+]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 CC(C)NS(=O)(=O)[*:1] CC[NH+]1CCN(CC1)C(=O)c1ccc(OC)c(c1)[*:1]
CCc1ccc([C@@H](CNC(=O)C2=Cc3ccccc3OC2)[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)C1=Cc2ccccc2OC1)[*:1]
Cc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nc(C)c(C)s4)sc3C)CC2)c1C Cc1nc(sc1C)[*:1] Cc1cccc(c1C)N1CCN(CC1)S(=O)(=O)c1cc(sc1C)[*:1]
Cc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nc(C)c(C)s4)sc3C)CC2)c1C Cc1cccc(c1C)[*:1] Cc1nc(sc1C)-c1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)[*:1]
CCc1ncc(C(=O)NCCc2ccco2)c(C)n1 c1coc(c1)[*:1] CCc1ncc(C(=O)NCC[*:1])c(C)n1
CCc1ncc(C(=O)NCCc2ccco2)c(C)n1 c1coc(c1)C[*:1] CCc1ncc(C(=O)NC[*:1])c(C)n1
Cc1ccc(S(=O)(=O)Cc2nc([O-])c3sc(-c4ccccc4)cc3n2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Cc1nc([O-])c2sc(cc2n1)-c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)Cc2nc([O-])c3sc(-c4ccccc4)cc3n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)Cc1nc([O-])c2sc(cc2n1)[*:1]
O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 O=C([O-])CC[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2OCOc2c1)[*:1]
O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 O=C([O-])[*:1] O=C(CC[*:1])/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2OCOc2c1
O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 O=C([O-])C[*:1] O=C(C[*:1])/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2OCOc2c1
CN(C)c1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] CN(C)c1cc(nc(n1)[*:1])C1CC[NH+](CC1)Cc1cccc(F)c1
CN(C)c1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)nc(-c2cccnc2)n1 Fc1cccc(c1)[*:1] CN(C)c1cc(nc(n1)-c1cccnc1)C1CC[NH+](CC1)C[*:1]
CN(C)c1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)nc(-c2cccnc2)n1 CN(C)[*:1] Fc1cccc(c1)C[NH+]1CCC(CC1)c1cc(nc(n1)-c1cccnc1)[*:1]
CN(C)c1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)nc(-c2cccnc2)n1 Fc1cccc(c1)C[*:1] CN(C)c1cc(nc(n1)-c1cccnc1)C1CC[NH+](CC1)[*:1]
O=C(CC(F)(F)F)N1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 FC(F)(F)C[*:1] O=C([C@@H]1Cc2ccccc2O1)N1CCN(CC1)C(=O)[*:1]
O=C(CC(F)(F)F)N1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 FC(F)(F)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2O1
CCN(CC)C(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1 CCN(CC)C(=O)[*:1] COC(=O)c1cc(ccc1[N+](=O)[O-])N1CCC[C@H]1[*:1]
CCN(CC)C(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1 O=[N+]([O-])[*:1] CCN(CC)C(=O)[C@@H]1CCCN1c1ccc(c(c1)C(=O)OC)[*:1]
CCN(CC)C(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1 COC(=O)[*:1] CCN(CC)C(=O)[C@@H]1CCCN1c1ccc(c(c1)[*:1])[N+](=O)[O-]
Cc1cccc(NNC(=O)CCCc2cccs2)c1 c1csc(c1)[*:1] Cc1cccc(c1)NNC(=O)CCC[*:1]
Cc1cccc(NNC(=O)CCCc2cccs2)c1 c1csc(c1)C[*:1] Cc1cccc(c1)NNC(=O)CC[*:1]
CCn1nc(C)c(NC(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)N[C@H](C)[C@@H](O)[*:1])c1C
CC[NH+](CC)[C@](C)(CC)[C@H]([NH3+])C=C(C)C CC(C)=C[*:1] CC[NH+](CC)[C@](C)(CC)[C@H]([NH3+])[*:1]
CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cnc(-c3ccccc3)nc2)ccc1Cl c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1cc(ccc1Cl)NC(=O)c1cnc(nc1)-c1ccccc1)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cnc(-c3ccccc3)nc2)ccc1Cl c1ccc(cc1)[*:1] CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1Cl)NC(=O)c1cnc(nc1)[*:1]
Cc1ccc(F)cc1C(=O)Nc1cccc(SC(=O)N(C)C)c1 CN(C)C(=O)S[*:1] Cc1ccc(F)cc1C(=O)Nc1cccc(c1)[*:1]
Cc1ccc2ncc(CN3CCN(Cc4ccc(Cl)nc4)CC3)n2c1 Clc1ccc(cn1)C[*:1] Cc1ccc2ncc(CN3CCN(CC3)[*:1])n2c1
Cc1ccc2ncc(CN3CCN(Cc4ccc(Cl)nc4)CC3)n2c1 Clc1ccc(cn1)[*:1] Cc1ccc2ncc(CN3CCN(CC3)C[*:1])n2c1
Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnco2)c1 c1nnc(o1)[*:1] Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnco2)c1 Cc1ccccc1[*:1] O=C(Nc1cccc(c1)-c1nnco1)N1CCC[C@H]1[*:1]
O=C(Nc1ccc(F)cc1F)c1ccccc1NS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1F)c1ccccc1NS(=O)(=O)[*:1]
O=C(Nc1ccc(F)cc1F)c1ccccc1NS(=O)(=O)c1ccccc1 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])c1ccccc1NS(=O)(=O)c1ccccc1
Cc1cccc(NC(=O)CSc2ncc3ccccn23)c1 Cc1cccc(c1)[*:1] O=C(CSc1ncc2ccccn12)N[*:1]
C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc2ccccc2c1 [O-][n+]1ccccc1[*:1] C[C@H](S[*:1])C(=O)Nc1ccc2ccccc2c1
COc1cccc(/C=C/C(=O)c2cccnc2)c1OC c1cncc(c1)[*:1] COc1cccc(/C=C/C(=O)[*:1])c1OC
CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)NC4CCCCCC4)cnc23)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])-c1c(C)nn2c(C)c(cnc12)C(=O)NC1CCCCCC1
CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)NC4CCCCCC4)cnc23)cc1OCC C1CCCC(CC1)[*:1] CCOc1ccc(cc1OCC)-c1c(C)nn2c(C)c(cnc12)C(=O)N[*:1]
CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)NC4CCCCCC4)cnc23)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])-c1c(C)nn2c(C)c(cnc12)C(=O)NC1CCCCCC1
CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)NC4CCCCCC4)cnc23)cc1OCC O=C(NC1CCCCCC1)[*:1] CCOc1ccc(cc1OCC)-c1c(C)nn2c(C)c(cnc12)[*:1]
CC(C)(F)C(=O)OCCNc1ncccn1 CC(C)(F)[*:1] O=C(OCCNc1ncccn1)[*:1]
C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ncc(Cl)cc1Cl Clc1cnc(c(Cl)c1)[*:1] C[C@@H](OC(=O)Cc1cccc(c1)C(F)(F)F)C(=O)N[*:1]
C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ncc(Cl)cc1Cl FC(F)(F)[*:1] C[C@@H](OC(=O)Cc1cccc(c1)[*:1])C(=O)Nc1ncc(Cl)cc1Cl
COc1ccc([C@H](C)NC(=O)Cc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](C)NC(=O)C[*:1]
CSc1nc2n(n1)[C@H](c1cccnc1)C(C(=O)Nc1ccc(F)cc1)=C(C)N2 Fc1ccc(cc1)[*:1] CSc1nc2NC(C)=C(C(=O)N[*:1])[C@@H](c3cccnc3)n2n1
CSc1nc2n(n1)[C@H](c1cccnc1)C(C(=O)Nc1ccc(F)cc1)=C(C)N2 c1cncc(c1)[*:1] CSc1nc2NC(C)=C(C(=O)Nc3ccc(F)cc3)[C@@H](n2n1)[*:1]
COc1cccc(N2C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)[O-])C2=O)c1 O=C([O-])[*:1] COc1cccc(c1)N1C(=O)C[C@@H](SC[C@@H](NC(C)=O)[*:1])C1=O
COc1cccc(N2C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)[O-])C2=O)c1 CC(=O)N[*:1] COc1cccc(c1)N1C(=O)C[C@@H](SC[C@@H](C(=O)[O-])[*:1])C1=O
COc1cccc(N2C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)[O-])C2=O)c1 COc1cccc(c1)[*:1] CC(=O)N[C@H](CS[C@@H]1CC(=O)N(C1=O)[*:1])C(=O)[O-]
O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CC=CCC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1S[*:1])[C@@H]1CC=CCC1
O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CC=CCC1 c1ccc(cc1)S[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CC=CCC1
Cc1nc(C[NH+]2CCN(Cc3cccn3C)CC2)no1 Cn1cccc1[*:1] Cc1nc(C[NH+]2CCN(CC2)C[*:1])no1
Cc1nc(C[NH+]2CCN(Cc3cccn3C)CC2)no1 Cc1nc(no1)[*:1] Cn1cccc1CN1CC[NH+](CC1)C[*:1]
COc1ccc(-n2ccc(C(=O)N(C)[C@@H](C)CC#N)n2)cc1 N#CC[*:1] COc1ccc(cc1)-n1ccc(n1)C(=O)N(C)[C@@H](C)[*:1]
CCn1c(=O)n(CC(C)=O)c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 CC(=O)C[*:1] CCn1c(=O)n(c(=O)c2c3CC(C)(C)CC(=O)c3cnc21)[*:1]
CCn1c(=O)n(CC(C)=O)c(=O)c2c3c(cnc21)C(=O)CC(C)(C)C3 CC(=O)[*:1] CCn1c(=O)n(C[*:1])c(=O)c2c3CC(C)(C)CC(=O)c3cnc21
Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2Oc2ccccc2)cc1=O c1ccc(cc1)[*:1] Cn1ccc(cc1=O)C(=O)N[C@@H]1CCC[C@H]1O[*:1]
Cn1ccc(C(=O)N[C@@H]2CCC[C@H]2Oc2ccccc2)cc1=O c1ccc(cc1)O[*:1] Cn1ccc(cc1=O)C(=O)N[C@@H]1CCC[C@@H]1[*:1]
CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 C1CCN(C1)[*:1] CNS(=O)(=O)c1ccc(Br)c(c1)C(=O)Nc1ccc2nc(sc2c1)[*:1]
CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 CNS(=O)(=O)[*:1] O=C(Nc1ccc2nc(sc2c1)N1CCCC1)c1cc(ccc1Br)[*:1]
CCc1ccc(NC(=S)N/N=C2\C3CN4CCN(C3)CC2(c2ccccc2)C4)cc1 CCc1ccc(cc1)[*:1] S=C(N/N=C1\C2CN3CCN(C2)CC1(C3)c1ccccc1)N[*:1]
CCc1ccc(NC(=S)N/N=C2\C3CN4CCN(C3)CC2(c2ccccc2)C4)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=S)N/N=C1\C2CN3CCN(C2)CC1(C3)[*:1]
CCS(=O)(=O)[N-]c1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] CCS(=O)(=O)[N-]c1ccccc1[*:1]
N#CCN1CCN(CC(=O)NCC2(c3ccccc3)CCCC2)CC1 c1ccc(cc1)[*:1] N#CCN1CCN(CC1)CC(=O)NCC1(CCCC1)[*:1]
N#CCN1CCN(CC(=O)NCC2(c3ccccc3)CCCC2)CC1 N#CC[*:1] O=C(CN1CCN(CC1)[*:1])NCC1(CCCC1)c1ccccc1
Cc1c(Cl)ccc2sc(N(C[C@H]3CCCO3)C(=O)C3CCN(S(C)(=O)=O)CC3)nc12 CS(=O)(=O)N1CCC(CC1)[*:1] Cc1c(Cl)ccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
C[C@H](NC(=O)CN1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)CN1C(=O)N[C@H](CC2C[NH+]=c3ccccc3=2)C1=O)[*:1]
C[C@H](NC(=O)CN1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O)c1cccs1 C[C@H](c1cccs1)[*:1] O=C(CN1C(=O)N[C@H](CC2C[NH+]=c3ccccc3=2)C1=O)N[*:1]
Cc1ccccc1N1CCN(C(=O)[C@H]2CCO[C@H]2C)CC1 Cc1ccccc1[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC1)[*:1]
Cc1cc(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)no1 O=S1(=O)CCCN1[*:1] Cc1cc(no1)C(=O)Nc1ccc(C)c(c1)[*:1]
Cc1cc(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)no1 Cc1cc(no1)[*:1] Cc1ccc(cc1N1CCCS1(=O)=O)NC(=O)[*:1]
CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(Br)c1 CCO[*:1] COc1ccc(cc1Br)S(=O)(=O)Nc1ccccc1[*:1]
CCc1nnc(CS[C@@H](C)c2ccccc2)n1C c1ccc(cc1)[*:1] CCc1nnc(CS[C@@H](C)[*:1])n1C
CNC(=O)Nc1ccc(NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)cc1 CNC(=O)N[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)Nc1ccc(NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)cc1 Cc1n[nH]c(C)c1C[*:1] CNC(=O)Nc1ccc(cc1)NC(=O)[C@H](C)[*:1]
CNC(=O)Nc1ccc(NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)cc1 Cc1n[nH]c(C)c1[*:1] CNC(=O)Nc1ccc(cc1)NC(=O)[C@H](C)C[*:1]
C/C(=N\NC(=O)c1[nH]nc2c1CCC2)c1cccs1 c1csc(c1)[*:1] CC(=NNC(=O)c1[nH]nc2CCCc21)[*:1]
CCOC(=O)c1c(NC(=O)c2c(Br)cnn2CC)sc(C)c1C CCOC(=O)[*:1] CCn1ncc(Br)c1C(=O)Nc1sc(C)c(C)c1[*:1]
Cc1cc(C)cc(CCNC(=O)c2ccc(C(N)=O)cc2)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)CCNC(=O)c1ccc(cc1)[*:1]
COc1ccc(-c2nnn(CC#Cc3ccc(Cl)cc3)n2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nnn(CC#C[*:1])n1
C[C@H]1C[C@H](C)C[NH+](C[C@@H](C)NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1 c1ccc2c(c[nH]c2c1)[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C[C@@H](C)NC(=O)NNC(=O)C[*:1]
Cc1ccncc1NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 Cc1ccncc1[*:1] O=C(Nc1ccc(cc1)O[C@@H]1CCOC1)N[*:1]
Cc1ccncc1NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 C1C[C@H](CO1)O[*:1] Cc1ccncc1NC(=O)Nc1ccc(cc1)[*:1]
Nc1nnc(SCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)s1 Nc1nnc(s1)[*:1] O=C(CS[*:1])N1CC[NH+](CC1)C12CC3CC(CC(C3)C1)C2
Nc1nnc(SCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)s1 Nc1nnc(SC[*:1])s1 O=C(N1CC[NH+](CC1)C12CC3CC(CC(C3)C1)C2)[*:1]
Nc1nnc(SCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)s1 Nc1nnc(S[*:1])s1 O=C(C[*:1])N1CC[NH+](CC1)C12CC3CC(CC(C3)C1)C2
CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 CCC[*:1] CN(C[*:1])C(=O)C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1cccc(Cl)c1
CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 Clc1cccc(c1)[*:1] CCCCN(C)C(=O)C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 CCCCN(C)C(=O)[*:1] O=C([C@@H]1CC(=O)N(C1)c1cccc(Cl)c1)N1CCC(CC1)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 CCCC[*:1] CN(C(=O)C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1cccc(Cl)c1)[*:1]
NC(=O)CN(Cc1ccccc1N)C(=O)N[C@H]1CCOC1 Nc1ccccc1[*:1] NC(=O)CN(C[*:1])C(=O)N[C@H]1CCOC1
NC(=O)CN(Cc1ccccc1N)C(=O)N[C@H]1CCOC1 NC(=O)C[*:1] Nc1ccccc1CN(C(=O)N[C@H]1CCOC1)[*:1]
NC(=O)CN(Cc1ccccc1N)C(=O)N[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] NC(=O)CN(Cc1ccccc1N)C(=O)N[*:1]
NC(=O)CN(Cc1ccccc1N)C(=O)N[C@H]1CCOC1 NC(=O)[*:1] Nc1ccccc1CN(C[*:1])C(=O)N[C@H]1CCOC1
CCc1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)s1 NC(=O)[*:1] CCc1ccc(s1)C(=O)N1CCC[C@H](C1)[*:1]
CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 CNS(=O)(=O)[*:1] CC(C)Sc1ccc(cc1)[C@@H](C)NC(=O)C[*:1]
CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 CC(C)[*:1] CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(cc1)S[*:1]
CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 CC(C)S[*:1] CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(SC(C)C)cc1 CNS(=O)(=O)C[*:1] CC(C)Sc1ccc(cc1)[C@@H](C)NC(=O)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)c1cccc(F)c1 CCC[*:1] C[C@@H](OC(=O)[C@H]1CCCN1C(=O)[*:1])c1cccc(F)c1
C[C@](O)(c1cnccn1)[C@H](F)C(=O)[O-] O=C([O-])[*:1] C[C@](O)(c1cnccn1)[C@H](F)[*:1]
C[C@@H](c1nc(C2CC2)no1)N1CCc2ccccc2C1 C1CC1[*:1] C[C@@H](c1nc(no1)[*:1])N1CCc2ccccc2C1
C[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)C1CCC(C)(C)CC1 CC(C)(C)[*:1] C[NH2+][C@H](Cc1nc(cs1)[*:1])C1CCC(C)(C)CC1
CCCC(=O)Nc1c2c(nn1-c1cccc(C)c1C)CSC2 CCCC(=O)N[*:1] Cc1cccc(c1C)-n1nc2CSCc2c1[*:1]
CCCC(=O)Nc1c2c(nn1-c1cccc(C)c1C)CSC2 CCC[*:1] Cc1cccc(c1C)-n1nc2CSCc2c1NC(=O)[*:1]
COc1cccc(N2C[C@H](C(=O)Nc3nc4c(s3)COCC4)CC2=O)c1 COc1cccc(c1)[*:1] O=C(Nc1nc2CCOCc2s1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)c(F)c1 c1ncn(n1)[*:1] Cc1ccc(c(F)c1)S(=O)(=O)NCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(CNS(=O)(=O)[*:1])Nc1ccc(cc1)-n1cncn1
Cc1ccc(-n2cnnn2)cc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 c1nnnn1[*:1] Cc1ccc(cc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)[*:1]
C[C@H](c1ccc(NC(=O)c2c(O)cccc2O)cc1)N1CCOCC1 Oc1cccc(O)c1[*:1] C[C@H](c1ccc(cc1)NC(=O)[*:1])N1CCOCC1
C[C@H](c1ccc(NC(=O)c2c(O)cccc2O)cc1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](c1ccc(cc1)NC(=O)c1c(O)cccc1O)[*:1]
C[C@H](c1ccc(NC(=O)c2c(O)cccc2O)cc1)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1c(O)cccc1O
Cc1ccc(OCCCN2CCOCC2)c(Br)c1 C1CN(CCO1)[*:1] Cc1ccc(OCCC[*:1])c(Br)c1
CCCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 c1ccc(cc1)[*:1] CCCCn1c(nc(=S)c2COC(C)(C)Cc21)[*:1]
CCCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 CCCC[*:1] CC1(C)Cc2c(CO1)c(=S)nc(-c1ccccc1)n2[*:1]
CCCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 CCC[*:1] CC1(C)Cc2c(CO1)c(=S)nc(-c1ccccc1)n2C[*:1]
CCOc1ccccc1N1CCN(C(=O)N[C@H]2CCc3cc(F)ccc32)CC1 CCO[*:1] O=C(N[C@H]1CCc2cc(F)ccc21)N1CCN(CC1)c1ccccc1[*:1]
CCOc1ccccc1N1CCN(C(=O)N[C@H]2CCc3cc(F)ccc32)CC1 CCOc1ccccc1[*:1] O=C(N[C@H]1CCc2cc(F)ccc21)N1CCN(CC1)[*:1]
COc1cc(-c2noc(C3CCCC3)n2)ccc1OCc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] COc1cc(ccc1OC[*:1])-c1noc(n1)C1CCCC1
COc1cc(-c2noc(C3CCCC3)n2)ccc1OCc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)C[*:1] COc1cc(ccc1O[*:1])-c1noc(n1)C1CCCC1
COc1cc(-c2noc(C3CCCC3)n2)ccc1OCc1cc(F)cc(F)c1 C1CCC(C1)[*:1] COc1cc(ccc1OCc1cc(F)cc(F)c1)-c1noc(n1)[*:1]
C[C@@H](C(=O)N(C)C1CCC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 C1CC(C1)[*:1] C[C@@H](C(=O)N(C)[*:1])[C@H](NC(=O)OC(C)(C)C)c1ccccc1
C[C@@H](C(=O)N(C)C1CCC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 CC(C)(C)OC(=O)N[*:1] C[C@@H](C(=O)N(C)C1CCC1)[C@H](c1ccccc1)[*:1]
C[C@@H](C(=O)N(C)C1CCC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N(C)C1CCC1)[C@H](NC(=O)OC(C)(C)C)[*:1]
C[C@@H](C(=O)N(C)C1CCC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 CN(C(=O)[*:1])C1CCC1 C[C@@H]([C@H](NC(=O)OC(C)(C)C)c1ccccc1)[*:1]
C[C@@H](C(=O)N(C)C1CCC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] C[C@@H](C(=O)N(C)C1CCC1)[C@H](NC(=O)O[*:1])c1ccccc1
CNc1snc(C)c1C(=O)NCc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] CNc1snc(C)c1C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(C)cc1Nc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(C)cc1Nc1ncnc(Nc2cccnc2Cl)c1[*:1]
COc1ccc(C)cc1Nc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] Clc1ncccc1N[*:1] COc1ccc(C)cc1Nc1ncnc(c1[N+](=O)[O-])[*:1]
COc1ccc(C)cc1Nc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] COc1ccc(C)cc1[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1cccnc1Cl
COc1ccc(C)cc1Nc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] Clc1ncccc1[*:1] COc1ccc(C)cc1Nc1ncnc(N[*:1])c1[N+](=O)[O-]
C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cccc(N)c1 Nc1cccc(c1)[*:1] CC(=NNC(=O)c1c(O)ccc2ccccc12)[*:1]
Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H]([NH2+]Cc1cnc(nc1)N1CCOCC1)[*:1]
Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 C1CN(CCO1)[*:1] Cc1cc(C)cc(c1)[C@@H](C)[NH2+]Cc1cnc(nc1)[*:1]
CCc1nn(C)c(C/C=C/CC[NH2+]C(C)C)c1Cl CC(C)[*:1] CCc1nn(C)c(C/C=C/CC[NH2+][*:1])c1Cl
CN(Cc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cn1 NS(=O)(=O)[*:1] CN(Cc1ccc(Cl)cc1)c1ccc(cn1)[*:1]
CC1(C)CCC[C@H]1NC(=O)c1ccc(C#CCO)cn1 OCC#C[*:1] CC1(C)CCC[C@H]1NC(=O)c1ccc(cn1)[*:1]
C/C(C(=O)[O-])=C1/CCCSC1 O=C([O-])[*:1] CC(=C1CCCSC1)[*:1]
CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)S/C1=N\c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN1C(=O)[C@@H](CC(=O)Nc2ccc(cc2)C(=O)OC)SC1=N[*:1]
CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)S/C1=N\c1cccc(F)c1 COC(=O)c1ccc(cc1)[*:1] CCN1C(=O)[C@@H](CC(=O)N[*:1])S/C1=N\c1cccc(F)c1
CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)S/C1=N\c1cccc(F)c1 COC(=O)[*:1] CCN1C(=O)[C@@H](CC(=O)Nc2ccc(cc2)[*:1])S/C1=N\c1cccc(F)c1
C[C@H]1CN[C@H](c2cccc(C3CC3)c2)S1 C1CC1[*:1] C[C@H]1CN[C@@H](S1)c1cccc(c1)[*:1]
CCc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)oc1CC Fc1ccc(F)c(c1)[*:1] CCc1cc(oc1CC)C(=O)N1C[C@H](O)C[C@@H]1[*:1]
[NH2+]=C(NC(=O)c1cnccc1C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] [NH2+]=C(NC(=O)c1cnccc1[*:1])c1ccccc1
[NH2+]=C(NC(=O)c1cnccc1C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] [NH2+]=C(NC(=O)c1cnccc1C(F)(F)F)[*:1]
Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCC[NH+]3CCCCCC3)c2c1 c1ccc(nc1)[*:1] Cc1ccc2nc(cc(C(=O)NCCC[NH+]3CCCCCC3)c2c1)[*:1]
Cc1ccc(NC(=O)NCc2ncoc2C)cc1 Cc1ocnc1[*:1] Cc1ccc(cc1)NC(=O)NC[*:1]
CC(C)Oc1ccccc1NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 CC(C)O[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)Nc1ccccc1[*:1]
CC(C)Oc1ccccc1NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 CC(C)[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)Nc1ccccc1O[*:1]
C[C@@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCCCC1 c1cc(cc[nH+]1)[*:1] C[C@@H](CNC(=O)N1CCN(CC1)[*:1])C[NH+]1CCCCC1
CCOc1cc(Cn2cc[nH+]c2)nc2nc(C(F)(F)F)nn12 CCO[*:1] FC(F)(F)c1nc2nc(cc(n2n1)[*:1])Cn1cc[nH+]c1
CCOc1cc(Cn2cc[nH+]c2)nc2nc(C(F)(F)F)nn12 FC(F)(F)[*:1] CCOc1cc(Cn2cc[nH+]c2)nc2nc(nn12)[*:1]
CC(C)n1c[nH+]cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 CC(C)[*:1] c1[nH+]cn(c1CN1CCC[C@@H](C1)[C@@H]1CCC[NH2+]1)[*:1]
CCNC(=O)c1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)NC1CCN(CC1)c1cccc[nH+]1)[*:1]
Cc1ccnc(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)c1 Cc1ccnc(c1)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N[*:1])C(C)C
Cc1ccnc(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)c1 Cc1ccccc1[*:1] Cc1ccnc(c1)NC(=O)[C@H](NC(=O)[*:1])C(C)C
Cc1ccnc(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)c1 CC(C)[*:1] Cc1ccnc(c1)NC(=O)[C@H](NC(=O)c1ccccc1C)[*:1]
OC[C@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 c1ncn(C[*:1])n1 OC[C@H]1CO[C@@](O1)(c1ccc(Cl)cc1Cl)[*:1]
OC[C@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 c1ncn(n1)[*:1] OC[C@H]1CO[C@@](C[*:1])(O1)c1ccc(Cl)cc1Cl
Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)nc2)s1 C1CN(CCO1)[*:1] Cc1nc(-c2ccccc2)c(s1)C(=O)Nc1ccc(nc1)[*:1]
Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(N3CCOCC3)nc2)s1 c1ccc(cc1)[*:1] Cc1nc(c(s1)C(=O)Nc1ccc(nc1)N1CCOCC1)[*:1]
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NC3CCCCC3)cc2)CC1 C1CCC(CC1)[*:1] CN1CCN(CC1)S(=O)(=O)Cc1ccc(cc1)C(=O)N[*:1]
C[NH+]1CCN(C(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)CC1 Fc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)CO[*:1]
C[NH+]1CCN(C(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)CC1 Fc1ccc(cc1)OC[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
C[NH+]1CCN(C(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)CC1 Fc1ccc(cc1)O[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)C[*:1]
O=C(Nc1ccccc1Br)N1CCN(c2cccc[nH+]2)CC1 Brc1ccccc1[*:1] O=C(N[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(C)[C@@](C)(c1ccc(O)cc1)c1cccc(F)c1 CC(C)[*:1] C[C@@](c1ccc(O)cc1)(c1cccc(F)c1)[*:1]
C[C@@H](O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O C[C@@H](O)[*:1] C[C@@H](N1C(=O)c2ccccc2S1(=O)=O)[*:1]
COc1ccc(C(=O)N[C@@H](C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)N[C@@H](C(=O)N1CCO[C@H](C1)c1ccc(Cl)cc1)[*:1]
COc1ccc(C(=O)N[C@@H](C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C(C)C)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N[C@@H](C(=O)N1CCO[C@@H](C1)[*:1])C(C)C
COc1ccc(C(=O)N[C@@H](C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCO[C@H](C1)c1ccc(Cl)cc1
COc1ccc(NC(=O)c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1cccc2CN(C[C@@H]3CCCO3)C(=O)c21
CCNC(=O)CN(CC)C(=O)[C@@H](C)OC CO[C@H](C)[*:1] CCNC(=O)CN(CC)C(=O)[*:1]
CCNC(=O)CN(CC)C(=O)[C@@H](C)OC CCNC(=O)[*:1] CCN(C[*:1])C(=O)[C@@H](C)OC
CCOC[C@@H]1CCCN1C(=O)c1ccc(-n2nc(C)cc2C)cc1 CCOC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
CCOC[C@@H]1CCCN1C(=O)c1ccc(-n2nc(C)cc2C)cc1 CCO[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N1CCC[C@H]1C[*:1]
CCOC[C@@H]1CCCN1C(=O)c1ccc(-n2nc(C)cc2C)cc1 Cc1cc(C)n(n1)[*:1] CCOC[C@@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
Cc1ccc(C)n1CCN1CC[NH+](C2CCC(c3ccc(O)cc3)CC2)CC1 Oc1ccc(cc1)[*:1] Cc1ccc(C)n1CCN1CC[NH+](CC1)C1CCC(CC1)[*:1]
Cc1ccc(C)n1CCN1CC[NH+](C2CCC(c3ccc(O)cc3)CC2)CC1 Cc1ccc(C)n1[*:1] Oc1ccc(cc1)C1CCC(CC1)[NH+]1CCN(CC1)CC[*:1]
Cc1ccc(C)n1CCN1CC[NH+](C2CCC(c3ccc(O)cc3)CC2)CC1 Cc1ccc(C)n1CC[*:1] Oc1ccc(cc1)C1CCC(CC1)[NH+]1CCN(CC1)[*:1]
Cc1ccc(C)n1CCN1CC[NH+](C2CCC(c3ccc(O)cc3)CC2)CC1 Cc1ccc(C)n1C[*:1] Oc1ccc(cc1)C1CCC(CC1)[NH+]1CCN(CC1)C[*:1]
CCOC(=O)C[C@H]1CCCCN1Cc1nc2ccccc2nc1C CCOC(=O)C[*:1] Cc1nc2ccccc2nc1CN1CCCC[C@@H]1[*:1]
CCOC(=O)C[C@H]1CCCCN1Cc1nc2ccccc2nc1C CCOC(=O)[*:1] Cc1nc2ccccc2nc1CN1CCCC[C@@H]1C[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)C[*:1]
Nc1c(-c2ccccn2)nsc1C(=O)NC1CCCC1 c1ccc(nc1)[*:1] Nc1c(nsc1C(=O)NC1CCCC1)[*:1]
Nc1c(-c2ccccn2)nsc1C(=O)NC1CCCC1 C1CCC(C1)[*:1] Nc1c(nsc1C(=O)N[*:1])-c1ccccn1
C[C@H](C(=O)NCC(F)(F)F)[S@](=O)Cc1c(F)cccc1Cl FC(F)(F)[*:1] C[C@H](C(=O)NC[*:1])[S@](=O)Cc1c(F)cccc1Cl
C[C@H](C(=O)NCC(F)(F)F)[S@](=O)Cc1c(F)cccc1Cl FC(F)(F)C[*:1] C[C@H](C(=O)N[*:1])[S@](=O)Cc1c(F)cccc1Cl
CO[C@H](C)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 FC(F)[*:1] CO[C@H](C)C(=O)N1CCO[C@@H](C1)c1cccc(c1)O[*:1]
CO[C@H](C)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 CO[C@H](C)[*:1] O=C(N1CCO[C@@H](C1)c1cccc(c1)OC(F)F)[*:1]
CO[C@H](C)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] CO[C@H](C)C(=O)N1CCO[C@@H](C1)c1cccc(c1)[*:1]
C[C@@H](CC[NH+](C)C)NC(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] C[C@@H](CC[NH+](C)C)NC(=O)c1cnc(C[*:1])s1
C[C@@H](CC[NH+](C)C)NC(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] C[C@@H](CC[NH+](C)C)NC(=O)c1cnc(s1)[*:1]
CC[C@](C)([NH3+])CN1CC[NH+](CC2CC2)CC1 C1CC1[*:1] CC[C@](C)([NH3+])CN1CC[NH+](CC1)C[*:1]
CC[C@](C)([NH3+])CN1CC[NH+](CC2CC2)CC1 CC[C@](C)([NH3+])[*:1] C1CC1C[NH+]1CCN(CC1)C[*:1]
CC[C@](C)([NH3+])CN1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] CC[C@](C)([NH3+])CN1CC[NH+](CC1)[*:1]
CCOC(=O)c1cc(SC[C@@H](C)CO)ccc1N C[C@@H](CO)CS[*:1] CCOC(=O)c1cc(ccc1N)[*:1]
CCOC(=O)c1cc(SC[C@@H](C)CO)ccc1N C[C@@H](CO)C[*:1] CCOC(=O)c1cc(ccc1N)S[*:1]
CCOC(=O)c1cc(SC[C@@H](C)CO)ccc1N CCOC(=O)[*:1] C[C@@H](CO)CSc1ccc(N)c(c1)[*:1]
CCOC(=O)c1cc(SC[C@@H](C)CO)ccc1N C[C@@H](CO)[*:1] CCOC(=O)c1cc(ccc1N)SC[*:1]
C[NH2+][C@](C)(CCSc1ccncc1)C(=O)[O-] O=C([O-])[*:1] C[NH2+][C@](C)(CCSc1ccncc1)[*:1]
Cc1cc(OC[C@@H]2CCCO2)c([C@H](C)[NH3+])cc1F C1CO[C@@H](C1)C[*:1] Cc1cc(O[*:1])c(cc1F)[C@H](C)[NH3+]
Cc1cc(OC[C@@H]2CCCO2)c([C@H](C)[NH3+])cc1F C1CO[C@@H](C1)[*:1] Cc1cc(OC[*:1])c(cc1F)[C@H](C)[NH3+]
CN1C(=O)N[C@H]2c3ccccc3O[C@]1(C)[C@@H]2C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)N[C@H]2c3ccccc3O[C@]1(C)[C@@H]2C(=O)N[*:1]
Cc1cc(CN(C)C(=O)N[C@H]2CCOc3ccccc32)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)N[C@H]1CCOc2ccccc21
Cc1cc(CN(C)C(=O)N[C@H]2CCOc3ccccc32)no1 Cc1cc(C[*:1])no1 CN(C(=O)N[C@H]1CCOc2ccccc21)[*:1]
C[C@@H](O)CN1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 C[C@@H](O)C[*:1] O=C(c1cc2c(F)cccc2s1)N1CCN(CC1)[*:1]
C[C@@H](O)CN1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 C[C@@H](O)[*:1] O=C(c1cc2c(F)cccc2s1)N1CCN(CC1)C[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cnoc2C)cc1O Cc1oncc1[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1O)NC(=O)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cnoc2C)cc1O CC[C@@H](C)[*:1] Cc1oncc1C(=O)Nc1ccc(C(=O)N[*:1])c(O)c1
CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cnoc2C)cc1O CC[C@@H](C)NC(=O)[*:1] Cc1oncc1C(=O)Nc1ccc(c(O)c1)[*:1]
Cc1sc2nc(COC(=O)COc3ccc(Cl)cc3)[nH]c(=O)c2c1C Clc1ccc(cc1)O[*:1] Cc1sc2nc(COC(=O)C[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(COC(=O)COc3ccc(Cl)cc3)[nH]c(=O)c2c1C Clc1ccc(cc1)[*:1] Cc1sc2nc(COC(=O)CO[*:1])[nH]c(=O)c2c1C
Cc1ccc(C(=O)CSc2nnc(N)s2)c(C)c1 Nc1nnc(s1)[*:1] Cc1ccc(C(=O)CS[*:1])c(C)c1
CC(C)Oc1ccc(C(=O)OCc2nc(C3CC3)cs2)cn1 CC(C)[*:1] O=C(OCc1nc(cs1)C1CC1)c1ccc(nc1)O[*:1]
CC(C)Oc1ccc(C(=O)OCc2nc(C3CC3)cs2)cn1 C1CC1[*:1] CC(C)Oc1ccc(cn1)C(=O)OCc1nc(cs1)[*:1]
CC(C)Oc1ccc(C(=O)OCc2nc(C3CC3)cs2)cn1 CC(C)O[*:1] O=C(OCc1nc(cs1)C1CC1)c1ccc(nc1)[*:1]
Cc1noc(C)c1CCCNC(=O)NCCc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] Cc1noc(C)c1CCCNC(=O)NCC[*:1]
Cc1noc(C)c1CCCNC(=O)NCCc1cc(F)cc(F)c1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])NCCc1cc(F)cc(F)c1
Cc1noc(C)c1CCCNC(=O)NCCc1cc(F)cc(F)c1 Cc1noc(C)c1C[*:1] O=C(NCCc1cc(F)cc(F)c1)NCC[*:1]
CC(=O)NC(C)(C)c1noc(/C=C/c2ccc3c(c2)CCO3)n1 CC(=O)N[*:1] CC(C)(c1noc(/C=C/c2ccc3OCCc3c2)n1)[*:1]
CC(=O)NC(C)(C)c1noc(/C=C/c2ccc3c(c2)CCO3)n1 CC(=O)NC(C)(C)[*:1] C(=C/c1nc(no1)[*:1])\c1ccc2OCCc2c1
CC(C)[C@@](C)(Cc1nc([C@H]2CN(C)CCO2)no1)C(=O)[O-] CC(C)[*:1] CN1CCO[C@H](C1)c1noc(C[C@](C)(C(=O)[O-])[*:1])n1
CC(C)[C@@](C)(Cc1nc([C@H]2CN(C)CCO2)no1)C(=O)[O-] CN1CCO[C@H](C1)[*:1] CC(C)[C@@](C)(Cc1nc(no1)[*:1])C(=O)[O-]
CC(C)[C@@](C)(Cc1nc([C@H]2CN(C)CCO2)no1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@](C)(Cc1nc(no1)[C@H]1CN(C)CCO1)[*:1]
C[C@H]1CN(C[C@@H]2CN(c3noc(-c4ccccc4)n3)C[C@@H]2CO)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C[C@@H]1CN(C[C@@H]1CO)c1noc(n1)[*:1]
C[C@H]1CN(C[C@@H]2CN(c3noc(-c4ccccc4)n3)C[C@@H]2CO)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)C[*:1] OC[C@H]1CN(C[C@H]1[*:1])c1noc(n1)-c1ccccc1
C[C@H]1OCC[C@H]1C(=O)Nc1cnccc1-c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1cnccc1[*:1]
C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)/N=c3/sccn3C)ccc2Cl)C[C@@H](C)O1 Cn1ccs/c1=N/C(=O)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)c2cc3ccccc3s2)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)c1cc2ccccc2s1
CCC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21 Fc1ccc(cc1)[*:1] CCC(=O)N1CCCc2cc(ccc21)[C@H](O)CN1CCN(CC1)[*:1]
Cc1nc(-c2ccc(NCc3cc(C#N)cs3)cc2)cs1 N#Cc1csc(c1)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC[*:1]
Cc1nc(-c2ccc(NCc3cc(C#N)cs3)cc2)cs1 Cc1nc(cs1)[*:1] N#Cc1csc(c1)CNc1ccc(cc1)[*:1]
C[C@@H](NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@@H](NC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@@H](NC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)c1ccc(cc1)NC(=O)[*:1]
O=C(N=C=S)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] O=C(N=C=S)c1cccc(c1F)[*:1]
O=C(N=C=S)c1cccc(C(F)(F)F)c1F O=C(N=C=S)[*:1] Fc1c(cccc1[*:1])C(F)(F)F
CCc1cc(N2CC[C@H](COCc3ccccc3)C2)nc(-c2ccncc2)n1 c1ccc(cc1)COC[*:1] CCc1cc(nc(n1)-c1ccncc1)N1CC[C@H](C1)[*:1]
CCc1cc(N2CC[C@H](COCc3ccccc3)C2)nc(-c2ccncc2)n1 c1ccc(cc1)[*:1] CCc1cc(nc(n1)-c1ccncc1)N1CC[C@H](COC[*:1])C1
CCc1cc(N2CC[C@H](COCc3ccccc3)C2)nc(-c2ccncc2)n1 c1ccc(cc1)CO[*:1] CCc1cc(nc(n1)-c1ccncc1)N1CC[C@@H](C1)C[*:1]
CCc1cc(N2CC[C@H](COCc3ccccc3)C2)nc(-c2ccncc2)n1 c1ccc(cc1)C[*:1] CCc1cc(nc(n1)-c1ccncc1)N1CC[C@H](CO[*:1])C1
CCc1cc(N2CC[C@H](COCc3ccccc3)C2)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CCc1cc(nc(n1)[*:1])N1CC[C@H](COCc2ccccc2)C1
Cc1cccc(Cn2cc(NC(=O)CCC3CCCC3)cn2)c1 Cc1cccc(c1)[*:1] O=C(CCC1CCCC1)Nc1cnn(c1)C[*:1]
Cc1cccc(Cn2cc(NC(=O)CCC3CCCC3)cn2)c1 C1CCC(C1)CC[*:1] Cc1cccc(c1)Cn1cc(cn1)NC(=O)[*:1]
Cc1cccc(Cn2cc(NC(=O)CCC3CCCC3)cn2)c1 C1CCC(C1)[*:1] Cc1cccc(c1)Cn1cc(cn1)NC(=O)CC[*:1]
Cc1cccc(Cn2cc(NC(=O)CCC3CCCC3)cn2)c1 C1CCC(C1)C[*:1] Cc1cccc(c1)Cn1cc(cn1)NC(=O)C[*:1]
CC[C@@H](CSC)N(C)C(=O)NCc1sc(-c2ccccc2)nc1C CSC[*:1] CC[C@@H](N(C)C(=O)NCc1sc(nc1C)-c1ccccc1)[*:1]
CC[C@@H](CSC)N(C)C(=O)NCc1sc(-c2ccccc2)nc1C c1ccc(cc1)[*:1] CC[C@@H](CSC)N(C)C(=O)NCc1sc(nc1C)[*:1]
Cc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2cccnc2)nc1 c1cncc(c1)[*:1] Cc1ccc(nc1)N1C(=O)c2ccccc2[C@@H]1N[*:1]
Cc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2cccnc2)nc1 Cc1ccc(nc1)[*:1] O=C1c2ccccc2[C@H](Nc2cccnc2)N1[*:1]
Cc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2cccnc2)nc1 c1cncc(c1)N[*:1] Cc1ccc(nc1)N1C(=O)c2ccccc2[C@H]1[*:1]
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 Cc1ccc(C)c(c1)[*:1] CC[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc2nc([C@@H](C)Cl)n([C@@H]3CC[C@H](C)[C@@H]3C)c2c1 C[C@@H](Cl)[*:1] Cc1ccc2nc(n(c2c1)[C@@H]1CC[C@H](C)[C@@H]1C)[*:1]
CCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 CCOc1ccccc1[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1
CCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)c1ccc(cc1)NC(=O)[*:1]
CCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 O=C(N[*:1])c1ccccc1 CCOc1ccccc1NC(=O)c1ccc(cc1)[*:1]
CCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)C(=O)Nc1ccccc1[*:1])c1ccccc1
C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1=O c1csc(c1)[*:1] C[C@H]1Oc2ccccc2N(CCC(=O)N(C[C@H]2CCCO2)C[*:1])C1=O
C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1=O C1CO[C@H](C1)[*:1] C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C[*:1])C1=O
C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1=O C1CO[C@H](C1)C[*:1] C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)[*:1])C1=O
C[C@H]1Oc2ccccc2N(CCC(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1=O c1csc(c1)C[*:1] C[C@H]1Oc2ccccc2N(CCC(=O)N(C[C@H]2CCCO2)[*:1])C1=O
Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)cc1C Fc1ccccc1[*:1] Cc1ccc(cc1C)Nc1nc(N)nc(CN2CCN(CC2)[*:1])n1
Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)cc1C Cc1ccc(cc1C)N[*:1] Nc1nc(CN2CCN(CC2)c2ccccc2F)nc(n1)[*:1]
Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)cc1C Cc1ccc(cc1C)[*:1] Nc1nc(CN2CCN(CC2)c2ccccc2F)nc(n1)N[*:1]
CC(C)NC(=O)c1cc2sccc2n1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)NC(=O)c1cc2sccc2n1C[*:1]
CC(C)NC(=O)c1cc2sccc2n1Cc1ccccc1 CC(C)NC(=O)[*:1] c1ccc(cc1)Cn1c(cc2sccc21)[*:1]
CC(C)NC(=O)c1cc2sccc2n1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)NC(=O)c1cc2sccc2n1[*:1]
CC(C)NC(=O)c1cc2sccc2n1Cc1ccccc1 CC(C)[*:1] O=C(N[*:1])c1cc2sccc2n1Cc1ccccc1
Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@@H]2c1ccc(C(=O)[O-])cc1 Cc1c(Cl)cccc1[*:1] O=C1C[C@H](c2ccc(cc2)C(=O)[O-])c2cnn(c2N1)[*:1]
Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@@H]2c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@@H]2c1ccc(cc1)[*:1]
Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@@H]2c1ccc(C(=O)[O-])cc1 O=C([O-])c1ccc(cc1)[*:1] Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@H]2[*:1]
Cc1c(NC(=O)N[C@H](C)c2cc3ccccc3o2)cccc1C(=O)N1CCOCC1 c1ccc2oc(cc2c1)[*:1] Cc1c(cccc1C(=O)N1CCOCC1)NC(=O)N[C@H](C)[*:1]
Cc1c(NC(=O)N[C@H](C)c2cc3ccccc3o2)cccc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1c(cccc1[*:1])NC(=O)N[C@H](C)c1cc2ccccc2o1
CCC[NH2+][C@@H](c1cc(C)cc(F)c1)[C@H]1CN(C)CCO1 CCC[*:1] Cc1cc(F)cc(c1)[C@H]([NH2+][*:1])[C@H]1CN(C)CCO1
CCc1cc(-c2nc(N)ncc2-c2ccc([N+](=O)[O-])cc2)c(O)cc1OC O=[N+]([O-])c1ccc(cc1)[*:1] CCc1cc(c(O)cc1OC)-c1nc(N)ncc1[*:1]
CCc1cc(-c2nc(N)ncc2-c2ccc([N+](=O)[O-])cc2)c(O)cc1OC O=[N+]([O-])[*:1] CCc1cc(c(O)cc1OC)-c1nc(N)ncc1-c1ccc(cc1)[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2ccc([S@@](C)=O)cc2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](CNC(=O)Nc1ccc(cc1)[S@@](C)=O)C[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2ccc([S@@](C)=O)cc2)n1 Cc1cc(C)n(C[*:1])n1 C[C@@H](CNC(=O)Nc1ccc(cc1)[S@@](C)=O)[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2ccc([S@@](C)=O)cc2)n1 C[S@@](=O)[*:1] Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2ccc(cc2)[*:1])n1
COCCN1CCn2c(nc3cc([N+](=O)[O-])ccc32)C1 COC[*:1] O=[N+]([O-])c1ccc2c(c1)nc1CN(CCn12)C[*:1]
COCCN1CCn2c(nc3cc([N+](=O)[O-])ccc32)C1 O=[N+]([O-])[*:1] COCCN1CCn2c(C1)nc1cc(ccc12)[*:1]
COCCN1CCn2c(nc3cc([N+](=O)[O-])ccc32)C1 COCC[*:1] O=[N+]([O-])c1ccc2c(c1)nc1CN(CCn12)[*:1]
O=C(C[C@H](O)c1ccccc1)NC[C@H](O)c1ccco1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])NC[C@H](O)c1ccco1
O=C(C[C@H](O)c1ccccc1)NC[C@H](O)c1ccco1 c1coc(c1)[*:1] O=C(C[C@H](O)c1ccccc1)NC[C@H](O)[*:1]
Cc1cccnc1CNC(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1cccnc1CNC(=O)c1ccc(cc1)[*:1]
Cc1cccnc1CNC(=O)c1ccc(-c2ccccc2)cc1 Cc1cccnc1[*:1] O=C(NC[*:1])c1ccc(cc1)-c1ccccc1
COc1ccc(NC(=O)CCn2cnc3c(-c4ccccc4)noc3c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)CCn1cnc2c(noc2c1=O)[*:1]
COc1ccc(NC(=O)CCn2cnc3c(-c4ccccc4)noc3c2=O)cc1 COc1ccc(cc1)[*:1] O=C(CCn1cnc2c(noc2c1=O)-c1ccccc1)N[*:1]
Cc1ccc2ncc(C(=O)Nc3nnc(CC(C)C)s3)n2c1 CC(C)C[*:1] Cc1ccc2ncc(C(=O)Nc3nnc(s3)[*:1])n2c1
Cc1ccc2ncc(C(=O)Nc3nnc(CC(C)C)s3)n2c1 CC(C)[*:1] Cc1ccc2ncc(C(=O)Nc3nnc(C[*:1])s3)n2c1
Cn1cc(C(=O)NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)cn1 Cn1cc(cn1)[*:1] CS(=O)(=O)N1CCCn2nc(cc2C1)CNC(=O)[*:1]
O=C(NCc1ccccc1F)c1ccc(N2CCC([NH2+]Cc3nc4ccccc4s3)CC2)cc1 O=C(NCc1ccccc1F)[*:1] c1ccc2sc(C[NH2+]C3CCN(CC3)c3ccc(cc3)[*:1])nc2c1
O=C(NCc1ccccc1F)c1ccc(N2CCC([NH2+]Cc3nc4ccccc4s3)CC2)cc1 Fc1ccccc1C[*:1] O=C(N[*:1])c1ccc(cc1)N1CCC(CC1)[NH2+]Cc1nc2ccccc2s1
O=C(NCc1ccccc1F)c1ccc(N2CCC([NH2+]Cc3nc4ccccc4s3)CC2)cc1 Fc1ccccc1[*:1] O=C(NC[*:1])c1ccc(cc1)N1CCC(CC1)[NH2+]Cc1nc2ccccc2s1
O=C(NCc1ccccc1F)c1ccc(N2CCC([NH2+]Cc3nc4ccccc4s3)CC2)cc1 c1ccc2sc(nc2c1)[*:1] O=C(NCc1ccccc1F)c1ccc(cc1)N1CCC(CC1)[NH2+]C[*:1]
O=C(C[NH+]1CC(c2nc(-c3cccs3)no2)C1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(C[NH+]1CC(C1)c1nc(no1)-c1cccs1)NC[*:1]
O=C(C[NH+]1CC(c2nc(-c3cccs3)no2)C1)NCc1ccc2c(c1)OCO2 c1csc(c1)[*:1] O=C(C[NH+]1CC(C1)c1nc(no1)[*:1])NCc1ccc2OCOc2c1
O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1ccc([N+](=O)[O-])cc1 c1nnc2sc(nn12)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)-c1nn2cnnc2s1)c1ccc(cc1)[*:1]
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1[*:1]
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(Cl)cc1 COC(=O)[*:1] COC(=O)C1=C(C)N(C)C(C)=C(C1c1ccc(Cl)cc1)[*:1]
C[C@H]1CC=CC[C@H]1COC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H]1CC=CC[C@H]1COC(=O)C(C)(C)S(=O)(=O)[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)Cc1ccsc1 CCC[*:1] C[C@H](Cc1ccsc1)NC(=O)[C@H]1CSCN1C(=O)[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)Cc1ccsc1 c1cc(cs1)C[*:1] CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)Cc1ccsc1 c1cc(cs1)[*:1] CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)C[*:1]
CCC1(CNC(=O)C(=O)Nc2ccccc2CC(=O)N(C)C)CCC1 CN(C)C(=O)[*:1] CCC1(CCC1)CNC(=O)C(=O)Nc1ccccc1C[*:1]
CCC1(CNC(=O)C(=O)Nc2ccccc2CC(=O)N(C)C)CCC1 CCC1(CCC1)[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)C(=O)NC[*:1]
CCC1(CNC(=O)C(=O)Nc2ccccc2CC(=O)N(C)C)CCC1 CN(C)C(=O)C[*:1] CCC1(CCC1)CNC(=O)C(=O)Nc1ccccc1[*:1]
CCC1(CNC(=O)C(=O)Nc2ccccc2CC(=O)N(C)C)CCC1 CCC1(CCC1)C[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)C(=O)N[*:1]
CC(C)Cc1ccc([C@H](C)NC(=O)C2CCC2)cc1 CC(C)[*:1] C[C@H](NC(=O)C1CCC1)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@H](C)NC(=O)C2CCC2)cc1 C1CC(C1)[*:1] CC(C)Cc1ccc(cc1)[C@H](C)NC(=O)[*:1]
CC(C)Cc1ccc([C@H](C)NC(=O)C2CCC2)cc1 CC(C)C[*:1] C[C@H](NC(=O)C1CCC1)c1ccc(cc1)[*:1]
Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccon2)o1 c1cc(no1)[*:1] Cc1ccc(o1)[C@H](O)CNC(=O)C(=O)N[*:1]
Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccon2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@@H](O)[*:1])C(=O)Nc1ccon1
CCCNC(=O)CNC(=O)Nc1ccccc1SC1CCCC1 CCC[*:1] O=C(CNC(=O)Nc1ccccc1SC1CCCC1)N[*:1]
CCCNC(=O)CNC(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)S[*:1] CCCNC(=O)CNC(=O)Nc1ccccc1[*:1]
CCCNC(=O)CNC(=O)Nc1ccccc1SC1CCCC1 CCCNC(=O)[*:1] O=C(NC[*:1])Nc1ccccc1SC1CCCC1
CCCNC(=O)CNC(=O)Nc1ccccc1SC1CCCC1 CCCNC(=O)C[*:1] O=C(Nc1ccccc1SC1CCCC1)N[*:1]
CCCNC(=O)CNC(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)[*:1] CCCNC(=O)CNC(=O)Nc1ccccc1S[*:1]
Cc1nc2ccccc2n1CCNC(=O)NNC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2ccccc2n1CCNC(=O)NNC(=O)N[*:1]
O=C(Nc1ccccc1Cl)c1cccn(OCc2cccc(Cl)c2)c1=O Clc1cccc(c1)C[*:1] O=C(Nc1ccccc1Cl)c1cccn(O[*:1])c1=O
O=C(Nc1ccccc1Cl)c1cccn(OCc2cccc(Cl)c2)c1=O Clc1cccc(c1)[*:1] O=C(Nc1ccccc1Cl)c1cccn(OC[*:1])c1=O
O=C(Nc1ccccc1Cl)c1cccn(OCc2cccc(Cl)c2)c1=O Clc1ccccc1[*:1] O=C(N[*:1])c1cccn(OCc2cccc(Cl)c2)c1=O
Cc1cc(N)ccc1NC(=O)CCCSC1COC1 C1OCC1S[*:1] Cc1cc(N)ccc1NC(=O)CCC[*:1]
Cc1cc(N)ccc1NC(=O)CCCSC1COC1 C1OCC1SC[*:1] Cc1cc(N)ccc1NC(=O)CC[*:1]
Cc1cc(N)ccc1NC(=O)CCCSC1COC1 C1OCC1[*:1] Cc1cc(N)ccc1NC(=O)CCCS[*:1]
CC[C@@H](C(=O)N1CCN(CC)CC1)N(c1ccc(C)cc1)S(C)(=O)=O Cc1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCN(CC)CC1)N(S(C)(=O)=O)[*:1]
CC(C)(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1 O=C(NC1CC1)N[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)NC(=O)c1ccc(cc1)O[*:1])NC1CC1
CC(C)(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1 CC(C)(C)O[*:1] O=C(Nc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1])NC1CC1
CC(C)(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1 C1CC1[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)NC(=O)N[*:1]
Cc1cc(C)nc(N2CCC[C@H]2c2cc[nH]n2)n1 c1cc(n[nH]1)[*:1] Cc1cc(C)nc(n1)N1CCC[C@@H]1[*:1]
COc1ccccc1N1CCN(C(=O)CSCc2nnnn2C2CCCC2)CC1 C1CCC(C1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)CSCc1nnnn1[*:1]
COc1ccccc1N1CCN(C(=O)CSCc2nnnn2C2CCCC2)CC1 COc1ccccc1[*:1] O=C(CSCc1nnnn1C1CCCC1)N1CCN(CC1)[*:1]
CC[C@@]1(C(=O)N(CC(C)C)C2CCCC2)CC[NH2+]C1 CC(C)[*:1] CC[C@]1(CC[NH2+]C1)C(=O)N(C[*:1])C1CCCC1
CC[C@@]1(C(=O)N(CC(C)C)C2CCCC2)CC[NH2+]C1 CC(C)C[*:1] CC[C@]1(CC[NH2+]C1)C(=O)N(C1CCCC1)[*:1]
CC[C@@]1(C(=O)N(CC(C)C)C2CCCC2)CC[NH2+]C1 C1CCC(C1)[*:1] CC[C@]1(CC[NH2+]C1)C(=O)N(CC(C)C)[*:1]
Cc1cc(C)cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)C(=O)N1CC[C@H]([C@@H]1C)[*:1]
Cc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nnnn1[*:1])c1ccc(F)cc1
Cc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nnnc1SCC(=O)N[C@H](C)[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)[C@@H](C)c2ccc(OC)cc2)C1 COC(=O)[*:1] COc1ccc(cc1)[C@H](C)C(=O)N1CC[C@](F)(C1)[*:1]
O=S(=O)(NCc1nnc2c3ccccc3c(-c3ccc(Cl)cc3)nn12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(NCc1nnc2c3ccccc3c(nn12)-c1ccc(Cl)cc1)[*:1]
O=S(=O)(NCc1nnc2c3ccccc3c(-c3ccc(Cl)cc3)nn12)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(NCc1nnc2c3ccccc3c(nn12)[*:1])c1ccc(F)cc1
COc1ccccc1CCNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O FC(F)(F)[*:1] COc1ccccc1CCNC(=O)C[C@H]1Sc2ccc(cc2NC1=O)[*:1]
COc1ccccc1CCNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O COc1ccccc1[*:1] O=C(C[C@H]1Sc2ccc(cc2NC1=O)C(F)(F)F)NCC[*:1]
COc1ccccc1CCNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O COc1ccccc1C[*:1] O=C(C[C@H]1Sc2ccc(cc2NC1=O)C(F)(F)F)NC[*:1]
Cc1ccc(NNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] CC1CCC2(CC1)NC(=O)N(CC(=O)NN[*:1])C2=O
CC(C)N(CC(=O)[O-])C(=O)[C@H]1C=C[C@@H]([NH3+])C1 CC(C)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N(CC(=O)[O-])[*:1]
CC(C)N(CC(=O)[O-])C(=O)[C@H]1C=C[C@@H]([NH3+])C1 O=C([O-])[*:1] CC(C)N(C[*:1])C(=O)[C@H]1C=C[C@@H]([NH3+])C1
CC(C)N(CC(=O)[O-])C(=O)[C@H]1C=C[C@@H]([NH3+])C1 O=C([O-])C[*:1] CC(C)N(C(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)s1 OC1CCN(CC1)[*:1] Cc1ncc(s1)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[*:1]
Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)s1 Cc1ncc(s1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1cc(F)ccc1N1CCC(O)CC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)C[*:1] Cc1ccc(cc1C(=O)N(C[C@@H]1CCCO1)[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)[*:1] Cc1ccc(cc1C(=O)N(C[C@@H]1CCCO1)C[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1C(=O)N(Cc1cccs1)C[C@@H]1CCCO1)[*:1]
COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(cc1)[C@@H]1NC(=O)NC(C)=C1C(=O)NN=C[*:1]
COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 COc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)N/N=C/c1cccc(c1)[N+](=O)[O-])[*:1]
COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H]1NC(=O)NC(C)=C1C(=O)N/N=C/c1cccc(c1)[*:1]
Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)c2noc3-c4ccccc4CCc23)n(n1)[*:1]
CCCCC(=O)N1CCN(C2=[NH+]N=C(c3ccc(Cl)cc3)CS2)CC1 Clc1ccc(cc1)[*:1] CCCCC(=O)N1CCN(CC1)C1=[NH+]N=C(CS1)[*:1]
CCCCC(=O)N1CCN(C2=[NH+]N=C(c3ccc(Cl)cc3)CS2)CC1 CCCC[*:1] O=C(N1CCN(CC1)C1=[NH+]N=C(CS1)c1ccc(Cl)cc1)[*:1]
CCCCC(=O)N1CCN(C2=[NH+]N=C(c3ccc(Cl)cc3)CS2)CC1 CCC[*:1] O=C(C[*:1])N1CCN(CC1)C1=[NH+]N=C(CS1)c1ccc(Cl)cc1
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1ccnn1C(C)C c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)Nc1ccnn1C(C)C)C(C)(C)[*:1]
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1ccnn1C(C)C CC(C)[*:1] Cc1nc(sc1C(=O)Nc1ccnn1[*:1])C(C)(C)c1ccccc1
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1ccnn1C(C)C CC(C)n1nccc1[*:1] Cc1nc(sc1C(=O)N[*:1])C(C)(C)c1ccccc1
CC(C)c1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCCC4)nc3c2=O)cc1 C1CCN(CC1)[*:1] CC(C)c1ccc(cc1)NC(=O)Cn1nc(-c2ccco2)c2sc(nc2c1=O)[*:1]
CC(C)c1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCCC4)nc3c2=O)cc1 c1coc(c1)[*:1] CC(C)c1ccc(cc1)NC(=O)Cn1nc(c2sc(nc2c1=O)N1CCCCC1)[*:1]
CC(C)c1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCCC4)nc3c2=O)cc1 CC(C)c1ccc(cc1)[*:1] O=C(Cn1nc(-c2ccco2)c2sc(nc2c1=O)N1CCCCC1)N[*:1]
CC(C)c1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCCC4)nc3c2=O)cc1 CC(C)[*:1] O=C(Cn1nc(-c2ccco2)c2sc(nc2c1=O)N1CCCCC1)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)c1cn(C2CCCCC2)nn1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)c1cn(nn1)C1CCCCC1)[*:1]
C[C@H](NC(=O)c1cn(C2CCCCC2)nn1)c1ccccc1Cl C1CCC(CC1)[*:1] C[C@H](NC(=O)c1cn(nn1)[*:1])c1ccccc1Cl
CC(C)C[NH2+]C[C@@H]1CCO[C@@H]1C1CCCCC1 CC(C)[*:1] C1CCC(CC1)[C@H]1OCC[C@H]1C[NH2+]C[*:1]
CC(C)C[NH2+]C[C@@H]1CCO[C@@H]1C1CCCCC1 CC(C)C[*:1] C1CCC(CC1)[C@H]1OCC[C@H]1C[NH2+][*:1]
CCc1ccc(OCCCN2C(=O)[C@@H](C)CN(C=O)c3ccccc32)cc1 CCc1ccc(cc1)O[*:1] C[C@H]1CN(C=O)c2ccccc2N(CCC[*:1])C1=O
CCc1ccc(OCCCN2C(=O)[C@@H](C)CN(C=O)c3ccccc32)cc1 CCc1ccc(cc1)[*:1] C[C@H]1CN(C=O)c2ccccc2N(CCCO[*:1])C1=O
CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Br)cc2)c1 CCC[*:1] O=C(COc1ccc(Br)cc1)Nc1cc(ccc1Cl)NC(=O)[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] CCCC(=O)Nc1ccc(Cl)c(c1)NC(=O)CO[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Br)cc2)c1 CCCC(=O)N[*:1] O=C(COc1ccc(Br)cc1)Nc1cc(ccc1Cl)[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Br)cc2)c1 Brc1ccc(cc1)O[*:1] CCCC(=O)Nc1ccc(Cl)c(c1)NC(=O)C[*:1]
N#Cc1c(NC(=O)CSc2nncc(=O)[nH]2)sc2c1CCC2 O=c1cnnc([nH]1)[*:1] N#Cc1c(NC(=O)CS[*:1])sc2CCCc21
C[C@@H](C(=O)[O-])[NH+]1CCN(C(=O)N2C[C@H](C)[C@@H](C)C2)CC1 O=C([O-])[*:1] C[C@@H]([NH+]1CCN(CC1)C(=O)N1C[C@H](C)[C@@H](C)C1)[*:1]
CC(C)CN1C(=O)NC(=N)[C@]12CCCC[C@H]2C(C)(C)C CC(C)(C)[*:1] CC(C)CN1C(=O)NC(=N)[C@]12CCCC[C@@H]2[*:1]
CC(C)CN1C(=O)NC(=N)[C@]12CCCC[C@H]2C(C)(C)C CC(C)C[*:1] CC(C)(C)[C@@H]1CCCC[C@]12C(=N)NC(=O)N2[*:1]
CC(C)CN1C(=O)NC(=N)[C@]12CCCC[C@H]2C(C)(C)C CC(C)[*:1] CC(C)(C)[C@@H]1CCCC[C@]12C(=N)NC(=O)N2C[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1 c1coc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCN(CC1)Cc1ccccc1
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCN(CC1)Cc1ccccc1)[*:1])c1ccco1
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1 O=C(N[*:1])c1ccco1 CC(C)[C@H](C(=O)N1CCN(CC1)Cc1ccccc1)[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(CC1)[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(CC1)C[*:1]
O=c1[nH]c2ccccc2cc1C[NH2+]Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=c1[nH]c2ccccc2cc1C[NH2+]C[*:1]
O=C(N[C@H]1CCOc2ccc(Br)cc21)C1(c2cccc(F)c2)CCC1 Fc1cccc(c1)[*:1] O=C(N[C@H]1CCOc2ccc(Br)cc21)C1(CCC1)[*:1]
CCc1nc2ccccc2n1C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 [O-][n+]1ccc(cc1)[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)[*:1]
C[C@@H](c1ccccn1)[C@@H](Br)CC(C)(C)C CC(C)(C)[*:1] C[C@@H](c1ccccn1)[C@@H](Br)C[*:1]
C[C@@H](c1ccccn1)[C@@H](Br)CC(C)(C)C CC(C)(C)C[*:1] C[C@@H](c1ccccn1)[C@@H](Br)[*:1]
COC[C@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)C1(CCCC1)c1ccc(C)c(c1)OC)[*:1]
COC[C@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)C(N)=O COC[*:1] COc1cc(ccc1C)C1(CCCC1)C(=O)N[C@H](C(N)=O)[*:1]
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(C)cc2)C3)cc1 Cc1ccc(cc1)CNC(=O)[*:1] Cc1ccc(cc1)CNC(=O)[C@]1(C)Cn2cnc(c2C(=O)N1C1CC1)[*:1]
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(C)cc2)C3)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)CNC(=O)[C@]1(C)Cn2cnc(C(=O)N[*:1])c2C(=O)N1C1CC1
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(C)cc2)C3)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)c1ncn2C[C@@](C)(C(=O)NC[*:1])N(C(=O)c12)C1CC1
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(C)cc2)C3)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)[C@]1(C)Cn2cnc(C(=O)NC[*:1])c2C(=O)N1C1CC1
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(C)cc2)C3)cc1 C1CC1[*:1] Cc1ccc(cc1)CNC(=O)c1ncn2C[C@@](C)(C(=O)NCc3ccc(C)cc3)N(C(=O)c12)[*:1]
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(C)cc2)C3)cc1 Cc1ccc(cc1)CNC(=O)[*:1] Cc1ccc(cc1)CNC(=O)c1ncn2C[C@@](C)(N(C(=O)c12)C1CC1)[*:1]
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(C)cc2)C3)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)CNC(=O)c1ncn2C[C@@](C)(C(=O)N[*:1])N(C(=O)c12)C1CC1
CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 CCC[*:1] CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[*:1]
CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)N(C)CC#N N#CC[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)N(C)[*:1])C(=O)NC(C)C
CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)N(C)CC#N CN(CC#N)C(=O)[*:1] CC[C@H]1CN(CC[C@H]1C[*:1])C(=O)NC(C)C
CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)N(C)CC#N CC(C)[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)N(C)CC#N)C(=O)N[*:1]
C[C@H](OC(=O)c1ccccc1OC1CCC1)c1nccs1 C1CC(C1)O[*:1] C[C@H](OC(=O)c1ccccc1[*:1])c1nccs1
C[C@H](OC(=O)c1ccccc1OC1CCC1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)c1ccccc1OC1CCC1)[*:1]
C[C@H](OC(=O)c1ccccc1OC1CCC1)c1nccs1 C1CC(C1)[*:1] C[C@H](OC(=O)c1ccccc1O[*:1])c1nccs1
CC(C)N1CCc2c(C#N)c(N3CCC(Cc4ccccc4)CC3)n3cnnc3c2C1 c1ccc(cc1)C[*:1] CC(C)N1CCc2c(C#N)c(N3CCC(CC3)[*:1])n3cnnc3c2C1
CC(C)N1CCc2c(C#N)c(N3CCC(Cc4ccccc4)CC3)n3cnnc3c2C1 c1ccc(cc1)[*:1] CC(C)N1CCc2c(C#N)c(N3CCC(CC3)C[*:1])n3cnnc3c2C1
CC(C)N1CCc2c(C#N)c(N3CCC(Cc4ccccc4)CC3)n3cnnc3c2C1 CC(C)[*:1] N#Cc1c2CCN(Cc2c2nncn2c1N1CCC(CC1)Cc1ccccc1)[*:1]
CC(C)CC1([C@@H]([NH3+])Cc2nc3ccccc3o2)CCCC1 CC(C)[*:1] [NH3+][C@@H](Cc1nc2ccccc2o1)C1(CCCC1)C[*:1]
CC(C)CC1([C@@H]([NH3+])Cc2nc3ccccc3o2)CCCC1 CC(C)C[*:1] [NH3+][C@@H](Cc1nc2ccccc2o1)C1(CCCC1)[*:1]
CCc1ccc(O)c(NC(=O)c2ccc(-n3cccn3)cc2)c1 c1cnn(c1)[*:1] CCc1ccc(O)c(c1)NC(=O)c1ccc(cc1)[*:1]
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c1 c1cn(cn1)[*:1] N#Cc1cccc(c1)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
C[C@H](c1cccnc1)N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 c1cncc(c1)[*:1] C[C@H](N(C)c1ccc(c(c1)OC(F)F)[N+](=O)[O-])[*:1]
C[C@H](c1cccnc1)N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 FC(F)O[*:1] C[C@H](c1cccnc1)N(C)c1ccc(c(c1)[*:1])[N+](=O)[O-]
C[C@H](c1cccnc1)N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 FC(F)[*:1] C[C@H](c1cccnc1)N(C)c1ccc(c(c1)O[*:1])[N+](=O)[O-]
C[C@H](c1cccnc1)N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 O=[N+]([O-])[*:1] C[C@H](c1cccnc1)N(C)c1ccc(c(c1)OC(F)F)[*:1]
Cc1ccc([C@H](O)C(=O)c2ccc(N(C)C)cc2)cc1 CN(C)[*:1] Cc1ccc(cc1)[C@H](O)C(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCN(c3ccccc3)CC2)c1C c1ccc(cc1)[*:1] CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCN(CC2)[*:1])c1C
CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCN(c3ccccc3)CC2)c1C CCOC(=O)[*:1] Cc1[nH]c(c(C)c1CCC(=O)N1CCN(CC1)c1ccccc1)[*:1]
C[C@H]1CCC[C@H](CCNC(=O)c2cn(Cc3cccnc3)nn2)C1 c1cncc(c1)C[*:1] C[C@H]1CCC[C@H](CCNC(=O)c2cn(nn2)[*:1])C1
C[C@H]1CCC[C@H](CCNC(=O)c2cn(Cc3cccnc3)nn2)C1 c1cncc(c1)[*:1] C[C@H]1CCC[C@H](CCNC(=O)c2cn(C[*:1])nn2)C1
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@H]1CCCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)N[C@H]1CCCS(=O)(=O)C1)[*:1]
O=C(Cc1ccc(F)c(F)c1)NNC(=S)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(Cc1ccc(F)c(F)c1)NNC(=S)N[*:1]
O=C(Cc1ccc(F)c(F)c1)NNC(=S)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(Cc1ccc(F)c(F)c1)NNC(=S)NC[*:1]
COc1ccc(OC)c(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 COc1ccc(OC)c(c1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ccc(Cl)cc1)C(=O)N[*:1]
COc1ccc(OC)c(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@@H](C)NC(=O)N1CCN(CC1)[*:1]
CC(C)CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCNC2=O)c1 CC(C)CC[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N[C@@H]1CCCNC1=O
CC(C)CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCNC2=O)c1 CC(C)[*:1] O=C(NCC[*:1])c1cccc(c1)S(=O)(=O)N[C@@H]1CCCNC1=O
CC(C)CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCNC2=O)c1 CC(C)C[*:1] O=C(NC[*:1])c1cccc(c1)S(=O)(=O)N[C@@H]1CCCNC1=O
CC(C)CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCNC2=O)c1 CC(C)CCNC(=O)[*:1] O=C1NCCC[C@H]1NS(=O)(=O)c1cccc(c1)[*:1]
CCc1nsc(NC2CCC(NS(C)(=O)=O)CC2)n1 CS(=O)(=O)N[*:1] CCc1nsc(n1)NC1CCC(CC1)[*:1]
CCOC(=O)c1ccccc1NCc1[nH+]c(C)ccc1[O-] CCOC(=O)[*:1] Cc1ccc([O-])c(CNc2ccccc2[*:1])[nH+]1
CS(=O)(=O)NCCc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CS(=O)(=O)NCCc1ccc(cc1)[*:1]
CS(=O)(=O)NCCc1ccc(OC(F)(F)F)cc1 CS(=O)(=O)NC[*:1] FC(F)(F)Oc1ccc(cc1)C[*:1]
CS(=O)(=O)NCCc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CS(=O)(=O)NCCc1ccc(cc1)O[*:1]
CS(=O)(=O)NCCc1ccc(OC(F)(F)F)cc1 CS(=O)(=O)N[*:1] FC(F)(F)Oc1ccc(cc1)CC[*:1]
O=C([C@H]1C=C(C2CC2)N=N1)N(Cc1ccccn1)C[C@@H]1CCCO1 c1ccc(C[*:1])nc1 O=C([C@H]1C=C(N=N1)C1CC1)N(C[C@@H]1CCCO1)[*:1]
O=C([C@H]1C=C(C2CC2)N=N1)N(Cc1ccccn1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C([C@H]1C=C(N=N1)C1CC1)N(Cc1ccccn1)C[*:1]
O=C([C@H]1C=C(C2CC2)N=N1)N(Cc1ccccn1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C([C@H]1C=C(N=N1)C1CC1)N(Cc1ccccn1)[*:1]
O=C([C@H]1C=C(C2CC2)N=N1)N(Cc1ccccn1)C[C@@H]1CCCO1 C1CC1[*:1] O=C([C@H]1C=C(N=N1)[*:1])N(Cc1ccccn1)C[C@@H]1CCCO1
O=C([C@H]1C=C(C2CC2)N=N1)N(Cc1ccccn1)C[C@@H]1CCCO1 c1ccc(nc1)[*:1] O=C([C@H]1C=C(N=N1)C1CC1)N(C[C@@H]1CCCO1)C[*:1]
COc1ccc([C@H](C)[NH2+][C@@H]2CCCNC2=O)c(OCc2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC[*:1])[C@H](C)[NH2+][C@@H]1CCCNC1=O
COc1ccc([C@H](C)[NH2+][C@@H]2CCCNC2=O)c(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1ccc(c(c1)O[*:1])[C@H](C)[NH2+][C@@H]1CCCNC1=O
COc1ccc([C@H](C)[NH2+][C@@H]2CCCNC2=O)c(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] COc1ccc(c(c1)[*:1])[C@H](C)[NH2+][C@@H]1CCCNC1=O
C=C(C)COc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 C=C(C)CO[*:1] COc1ccc(cc1OC)-c1c(C)c2cc(ccc2oc1=O)[*:1]
C=C(C)COc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 C=C(C)[*:1] COc1ccc(cc1OC)-c1c(C)c2cc(ccc2oc1=O)OC[*:1]
C=C(C)COc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 C=C(C)C[*:1] COc1ccc(cc1OC)-c1c(C)c2cc(ccc2oc1=O)O[*:1]
Cc1cc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NNC(=O)CCC(=O)N1CCN(CC1)c1ccccc1
Cc1cc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NNC(=O)CCC(=O)N1CCN(CC1)[*:1]
Cc1cc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] Cc1cc(ccc1[N+](=O)[O-])[*:1] O=C(CCC(=O)N1CCN(CC1)c1ccccc1)NNC(=O)[*:1]
COc1cc(OC)c(OC)cc1/C=C(/CO)C(C)C CC(C)[*:1] COc1cc(OC)c(cc1/C=C(/CO)[*:1])OC
CC(C)Cc1nnc(NC(=O)CSc2nc([O-])c3ccccc3n2)s1 CC(C)[*:1] O=C(CSc1nc([O-])c2ccccc2n1)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)CSc2nc([O-])c3ccccc3n2)s1 CC(C)C[*:1] O=C(CSc1nc([O-])c2ccccc2n1)Nc1nnc(s1)[*:1]
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(C[C@H]1CCCCO1)C(C)C FC(F)(F)C[*:1] Cc1nn(c(C)c1CC(=O)N(C[C@H]1CCCCO1)C(C)C)[*:1]
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(C[C@H]1CCCCO1)C(C)C C1CC[C@H](C[*:1])OC1 Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(C(C)C)[*:1]
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(C[C@H]1CCCCO1)C(C)C C1CC[C@@H](OC1)[*:1] Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(C[*:1])C(C)C
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(C[C@H]1CCCCO1)C(C)C CC(C)[*:1] Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(C[C@H]1CCCCO1)[*:1]
Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(C[C@H]1CCCCO1)C(C)C FC(F)(F)[*:1] Cc1nn(C[*:1])c(C)c1CC(=O)N(C[C@H]1CCCCO1)C(C)C
CC(=O)[C@@H]1CC[C@H]2[C@H]3C[C@H](O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C CC(=O)[*:1] C[C@]12CC[C@@H]3[C@H](C[C@H](O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2[*:1]
O=C(O[C@@H]1CCOC1=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O c1coc(c1)C[*:1] O=C(O[C@@H]1CCOC1=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C(O[C@@H]1CCOC1=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O c1coc(c1)[*:1] O=C(O[C@@H]1CCOC1=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
Cc1ccccc1CNC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 Cc1ccccc1C[*:1] NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)N[*:1]
Cc1ccccc1CNC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 Cc1ccccc1[*:1] NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC[*:1]
Cc1ccccc1CNC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] Cc1ccccc1CNC(=O)CN1CCc2cc(ccc21)[*:1]
C/C(=C/C(=O)N[C@H]1CCCc2c1cnn2C)c1ccccc1OC(F)F FC(F)[*:1] C/C(=C/C(=O)N[C@H]1CCCc2c1cnn2C)c1ccccc1O[*:1]
C/C(=C/C(=O)N[C@H]1CCCc2c1cnn2C)c1ccccc1OC(F)F FC(F)O[*:1] C/C(=C/C(=O)N[C@H]1CCCc2c1cnn2C)c1ccccc1[*:1]
Cc1nn(-c2ccccc2)c2oc(=O)c(NC(=O)c3ccc(F)cc3)cc12 Fc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c2oc(=O)c(cc12)NC(=O)[*:1]
Cc1nn(-c2ccccc2)c2oc(=O)c(NC(=O)c3ccc(F)cc3)cc12 c1ccc(cc1)[*:1] Cc1nn(c2oc(=O)c(cc12)NC(=O)c1ccc(F)cc1)[*:1]
COc1ccc(C[C@H](C)CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@@H]1CC(=O)Nc2ccccc21)C[*:1]
C=CCN(Cc1ccccc1C)C(=O)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C=CCN(Cc1ccccc1C)C(=O)[*:1]
C=CCN(Cc1ccccc1C)C(=O)[C@@H]1CCOC1 C=CC[*:1] Cc1ccccc1CN(C(=O)[C@@H]1CCOC1)[*:1]
CCn1nc(C[C@@H](O)c2cc(Cl)cs2)c2ccccc21 Clc1csc(c1)[*:1] CCn1nc(C[C@@H](O)[*:1])c2ccccc21
COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1OC C1CN(CCO1)[*:1] COc1ccc(cc1OC)C(=O)NC[C@H](c1ccco1)[*:1]
COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)C(=O)NC[C@H](N1CCOCC1)[*:1]
CC[C@@H]1C(=O)N[C@H](C(C)C)C(=O)N1Cc1c(C)noc1C CC(C)[*:1] CC[C@@H]1C(=O)N[C@H](C(=O)N1Cc1c(C)noc1C)[*:1]
CC[C@@H]1C(=O)N[C@H](C(C)C)C(=O)N1Cc1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H]1C(=O)N[C@@H](C(=O)N1C[*:1])C(C)C
CC[NH+]1CCC(NC(=O)CN(CCc2ccccc2)C(C)=O)CC1 c1ccc(cc1)C[*:1] CC[NH+]1CCC(CC1)NC(=O)CN(C[*:1])C(C)=O
CC[NH+]1CCC(NC(=O)CN(CCc2ccccc2)C(C)=O)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCC(CC1)NC(=O)CN(CC[*:1])C(C)=O
CC[NH+]1CCC(NC(=O)CN(CCc2ccccc2)C(C)=O)CC1 c1ccc(cc1)CC[*:1] CC[NH+]1CCC(CC1)NC(=O)CN(C(C)=O)[*:1]
CC(C)CN(C)C(=O)Nc1ccc(CC#N)cc1 CC(C)C[*:1] CN(C(=O)Nc1ccc(cc1)CC#N)[*:1]
CC(C)CN(C)C(=O)Nc1ccc(CC#N)cc1 CC(C)[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)CC#N
CC(C)CN(C)C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] CC(C)CN(C)C(=O)Nc1ccc(cc1)[*:1]
COc1cc(CNC(=O)N(C)Cc2ncnn2C)c2ccccc2n1 Cn1ncnc1C[*:1] COc1cc(CNC(=O)N(C)[*:1])c2ccccc2n1
COc1cc(CNC(=O)N(C)Cc2ncnn2C)c2ccccc2n1 Cn1ncnc1[*:1] COc1cc(CNC(=O)N(C)C[*:1])c2ccccc2n1
CCn1c(=O)n(CC)c2cc(N3CCCCC3)c(NC(=O)Nc3cc(C)ccc3C)cc21 Cc1ccc(C)c(c1)[*:1] CCn1c(=O)n(CC)c2cc(c(cc21)NC(=O)N[*:1])N1CCCCC1
CCn1c(=O)n(CC)c2cc(N3CCCCC3)c(NC(=O)Nc3cc(C)ccc3C)cc21 C1CCN(CC1)[*:1] CCn1c(=O)n(CC)c2cc(c(cc21)NC(=O)Nc1cc(C)ccc1C)[*:1]
Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)c1c(N)c(C(=O)[*:1])n2ccccc12
Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)NC(=O)c1c(N)c(C(=O)c2ccc(cc2)[*:1])n2ccccc12
Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c1 Cc1cccc(c1)[*:1] Nc1c(C(=O)N[*:1])c2ccccn2c1C(=O)c1ccc(cc1)[N+](=O)[O-]
Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c1 Cc1cccc(c1)NC(=O)[*:1] Nc1c(c2ccccn2c1C(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1cccc(C(=O)OCCCl)c1 ClCC[*:1] Cc1cccc(c1)C(=O)O[*:1]
O=C1N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl Clc1ccccc1[*:1] O=C1N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
O=C1N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl Brc1ccc(cc1)[*:1] O=C1N(c2ccccc2Cl)[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CC(=O)c1cccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)c1 C1CC1[*:1] CC(=O)c1cccc(c1)NC(=O)CN1C(=O)C(=O)N(C1=O)[*:1]
CC(=O)c1cccc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)c1 CC(=O)[*:1] O=C(CN1C(=O)C(=O)N(C1=O)C1CC1)Nc1cccc(c1)[*:1]
CO[C@@H](C)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 CO[C@@H](C)[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)NC(=O)c1ccccc1
CO[C@@H](C)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CO[C@@H](C)C(=O)N[C@H](C)c1cccc(c1)NC(=O)[*:1]
CO[C@@H](C)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 CO[C@@H](C)C(=O)N[*:1] C[C@H](c1cccc(c1)NC(=O)c1ccccc1)[*:1]
C/[NH+]=C(/NCc1noc(C(C)(C)C)n1)NCc1nc(C)c(C)s1 CC(C)(C)[*:1] C/[NH+]=C(/NCc1noc(n1)[*:1])NCc1nc(C)c(C)s1
C/[NH+]=C(/NCc1noc(C(C)(C)C)n1)NCc1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] C/[NH+]=C(/NCc1noc(n1)C(C)(C)C)NC[*:1]
Cn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1cccc(C(N)=O)c1 c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])S(=O)(=O)Cc1cccc(c1)C(N)=O
Cn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1cccc(C(N)=O)c1 NC(=O)[*:1] Cn1c(nnc1S(=O)(=O)Cc1cccc(c1)[*:1])-c1ccccc1
O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc(cc1)[*:1]
Cc1cc(F)cc2[nH]c(C(=O)NC[C@@H]3CCCN(c4ncccn4)C3)cc12 c1cnc(nc1)[*:1] Cc1cc(F)cc2[nH]c(cc12)C(=O)NC[C@@H]1CCCN(C1)[*:1]
O=C(NCc1ccc(C(=O)Nc2ccc(Cl)cc2)o1)c1ccccc1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(o1)C(=O)N[*:1])c1ccccc1
O=C(NCc1ccc(C(=O)Nc2ccc(Cl)cc2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(CNC(=O)[*:1])o1
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)[O-])c3)c(=O)c2c1 C=C(C)CO[*:1] Cc1nc2ccc(cc2c(=O)n1-c1cccc(c1)C(=O)[O-])[*:1]
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)[O-])c3)c(=O)c2c1 C=C(C)C[*:1] Cc1nc2ccc(cc2c(=O)n1-c1cccc(c1)C(=O)[O-])O[*:1]
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)[O-])c3)c(=O)c2c1 O=C([O-])[*:1] C=C(C)COc1ccc2nc(C)n(-c3cccc(c3)[*:1])c(=O)c2c1
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)[O-])c3)c(=O)c2c1 C=C(C)[*:1] Cc1nc2ccc(cc2c(=O)n1-c1cccc(c1)C(=O)[O-])OC[*:1]
FC(F)(F)c1cccc(CNc2ncc(Cl)cn2)c1 FC(F)(F)[*:1] Clc1cnc(nc1)NCc1cccc(c1)[*:1]
Cc1cc(C(=O)N(C)Cc2ccco2)sc1Br c1coc(c1)[*:1] Cc1cc(sc1Br)C(=O)N(C)C[*:1]
Cc1ccc(N(Cc2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)n2C)S(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(CN(S(C)(=O)=O)[*:1])n1C
O=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(c1ccncc1)N1CCC(CC1)CNC(=O)[*:1]
O=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1ccc(Cl)cc1Cl c1cc(ccn1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1ccc(Cl)cc1Cl
C[C@@H](Cc1nc2ccccc2s1)[NH2+]C[C@@H](O)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@@H](Cc1nc2ccccc2s1)[NH2+]C[C@@H](O)[*:1]
COc1cccc2cc(C(=O)NCCOc3ccc(F)cc3)c(=O)oc12 Fc1ccc(cc1)O[*:1] COc1cccc2cc(C(=O)NCC[*:1])c(=O)oc12
COc1cccc2cc(C(=O)NCCOc3ccc(F)cc3)c(=O)oc12 Fc1ccc(cc1)[*:1] COc1cccc2cc(C(=O)NCCO[*:1])c(=O)oc12
O=C(N[C@@H]1C=C[C@@H](C(=O)[O-])C1)c1c[nH]c(=O)[nH]1 O=C([O-])[*:1] O=C(N[C@@H]1C=C[C@@H](C1)[*:1])c1c[nH]c(=O)[nH]1
COc1ccc(-n2nc(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)N[C@H]1CCC[C@H](C1)[NH+](C)C
O=S(=O)(NCc1ccc(F)cc1)c1ccc(-c2ccno2)s1 c1cc(on1)[*:1] O=S(=O)(NCc1ccc(F)cc1)c1ccc(s1)[*:1]
O=S(=O)(NCc1ccc(F)cc1)c1ccc(-c2ccno2)s1 Fc1ccc(cc1)[*:1] O=S(=O)(NC[*:1])c1ccc(s1)-c1ccno1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCCn4ccnc4)[C@@H]3c3ccccc3F)ccc2O1 Fc1ccccc1[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CCCn2ccnc2)[C@H]1[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCCn4ccnc4)[C@@H]3c3ccccc3F)ccc2O1 c1cn(cn1)CCC[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccccc1F)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCCn4ccnc4)[C@@H]3c3ccccc3F)ccc2O1 c1cn(cn1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CCC[*:1])[C@@H]1c1ccccc1F
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCCn4ccnc4)[C@@H]3c3ccccc3F)ccc2O1 c1cn(cn1)C[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccccc1F
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCCn4ccnc4)[C@@H]3c3ccccc3F)ccc2O1 c1cn(cn1)CC[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccccc1F
COc1cc(OC)c(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1Cl C1CC1[*:1] COc1cc(OC)c(cc1Cl)NC(=O)c1sc2nc(nc(C)c2c1C)[*:1]
Cc1c(C(=O)Nc2ccc3c(c2)COC3)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1ccc2COCc2c1
CC1(C(=O)c2ccc3c(c2)NC(=O)CO3)CCCC1 CC1(CCCC1)[*:1] O=C1COc2ccc(cc2N1)C(=O)[*:1]
CNC(=O)CN(C)c1c(CO)c(C)[nH+]n1C CNC(=O)C[*:1] Cc1[nH+]n(C)c(c1CO)N(C)[*:1]
CNC(=O)CN(C)c1c(CO)c(C)[nH+]n1C CNC(=O)[*:1] Cc1[nH+]n(C)c(c1CO)N(C)C[*:1]
Cc1ccccc1[C@@H](C)CC(=O)NCCCn1ccccc1=O Cc1ccccc1[*:1] C[C@@H](CC(=O)NCCCn1ccccc1=O)[*:1]
Cc1ccccc1[C@@H](C)CC(=O)NCCCn1ccccc1=O O=c1ccccn1[*:1] Cc1ccccc1[C@@H](C)CC(=O)NCCC[*:1]
C/C=C/C=C/C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCOC2)cc1 C/C=C/C=C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)C[C@@H]1CCOC1)[*:1]
C/C=C/C=C/C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCOC2)cc1 CC=C[*:1] O=C(C=C[*:1])Nc1ccc(cc1)S(=O)(=O)C[C@@H]1CCOC1
CCCCCNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O CCCCC[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)C1CC1
CCCCCNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O C1CC1[*:1] CCCCCNC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CCCCCNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O CCCC[*:1] C[C@@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)C1CC1
CCCCCNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O CCC[*:1] C[C@@]1(NC(=O)N(CC(=O)NCC[*:1])C1=O)C1CC1
CCN(CC)C(=O)c1ccccc1NC(=O)NC1(CO)CCCC1 OCC1(CCCC1)[*:1] CCN(CC)C(=O)c1ccccc1NC(=O)N[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)NC1(CO)CCCC1 CCN(CC)C(=O)[*:1] O=C(Nc1ccccc1[*:1])NC1(CO)CCCC1
Cc1ccc(CSc2ncc(CO)n2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)CSc1ncc(CO)n1[*:1]
Cc1ccc(CSc2ncc(CO)n2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CSc1ncc(CO)n1C[*:1]
Cc1ccc(CSc2ncc(CO)n2Cc2ccccc2)cc1 Cc1ccc(cc1)[*:1] OCc1cnc(SC[*:1])n1Cc1ccccc1
CC#CC[C@H](C(=O)[O-])c1cccc(Br)c1 CC#CC[*:1] O=C([O-])[C@H](c1cccc(Br)c1)[*:1]
CC#CC[C@H](C(=O)[O-])c1cccc(Br)c1 CC#C[*:1] O=C([O-])[C@@H](C[*:1])c1cccc(Br)c1
CC#CC[C@H](C(=O)[O-])c1cccc(Br)c1 O=C([O-])[*:1] CC#CC[C@H](c1cccc(Br)c1)[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N1CCc2cc(F)ccc2C1 CC(C)[*:1] Cc1cc(ccc1NC(=O)N1CCc2cc(F)ccc2C1)C(=O)N[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N1CCc2cc(F)ccc2C1 CC(C)NC(=O)[*:1] Cc1cc(ccc1NC(=O)N1CCc2cc(F)ccc2C1)[*:1]
CCc1cnc(CN(C)C(=O)CCc2ccc(C)cc2)s1 Cc1ccc(cc1)[*:1] CCc1cnc(CN(C)C(=O)CC[*:1])s1
CCc1cnc(CN(C)C(=O)CCc2ccc(C)cc2)s1 CCc1cnc(s1)[*:1] Cc1ccc(cc1)CCC(=O)N(C)C[*:1]
C[C@@H](NC[C@@H](O)c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] C[C@@H](NC[C@@H](O)[*:1])c1ccncc1
C[C@@H](NC[C@@H](O)c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC[C@@H](O)c1ccccc1)[*:1]
CCc1nn(C)cc1NCc1c(C)nn(CC(C)C)c1Cl CC(C)C[*:1] CCc1nn(C)cc1NCc1c(C)nn(c1Cl)[*:1]
CCc1nn(C)cc1NCc1c(C)nn(CC(C)C)c1Cl CC(C)[*:1] CCc1nn(C)cc1NCc1c(C)nn(C[*:1])c1Cl
Cc1ccnc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1 Fc1ccc(cc1)[*:1] Cc1ccnc(c1)NC(=O)c1cc(nc2onc(C)c12)[*:1]
Cc1ccnc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1 Cc1ccnc(c1)[*:1] Cc1noc2nc(cc(C(=O)N[*:1])c12)-c1ccc(F)cc1
Cc1nc(N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)nc(C)c1CC(C)C CC(C)C[*:1] Cc1nc(nc(C)c1[*:1])N[C@@H](C)c1ccc2OCC(=O)Nc2c1
Cc1nc(N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)nc(C)c1CC(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[*:1])N[C@@H](C)c1ccc2OCC(=O)Nc2c1
O=C1N[C@H](c2cccs2)[C@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 Clc1ccc(cc1)[*:1] O=C1N[C@H](c2cccs2)[C@H](C(=O)[*:1])[C@@](O)(N1)C(F)(F)F
O=C1N[C@H](c2cccs2)[C@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 FC(F)(F)[*:1] O=C1N[C@H](c2cccs2)[C@H](C(=O)c2ccc(Cl)cc2)[C@](O)(N1)[*:1]
O=C1N[C@H](c2cccs2)[C@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 c1csc(c1)[*:1] O=C1N[C@H]([C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(N1)C(F)(F)F)[*:1]
Cc1cc(C(=O)NC[C@@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)n[nH]1 Cc1cc(n[nH]1)[*:1] O=C(NC[C@@H]1Cc2cc(cc(Cl)c2O1)-c1ccsc1)[*:1]
Cc1cc(C(=O)NC[C@@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)n[nH]1 c1cc(cs1)[*:1] Cc1cc(n[nH]1)C(=O)NC[C@@H]1Cc2cc(cc(Cl)c2O1)[*:1]
CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccco1)C2 c1coc(c1)[*:1] CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
O=C(c1cncc(Br)c1)N1CCC[C@@H]1c1nc(C2CC2)no1 C1CC1[*:1] O=C(c1cncc(Br)c1)N1CCC[C@@H]1c1nc(no1)[*:1]
O=C(c1cncc(Br)c1)N1CCC[C@@H]1c1nc(C2CC2)no1 Brc1cncc(c1)[*:1] O=C(N1CCC[C@@H]1c1nc(no1)C1CC1)[*:1]
CCCn1nc(C(=O)NCC2CCCCC2)c2ccccc2c1=O C1CCC(CC1)[*:1] CCCn1nc(C(=O)NC[*:1])c2ccccc2c1=O
CCCn1nc(C(=O)NCC2CCCCC2)c2ccccc2c1=O CCC[*:1] O=C(NCC1CCCCC1)c1nn(c(=O)c2ccccc12)[*:1]
CCCn1nc(C(=O)NCC2CCCCC2)c2ccccc2c1=O C1CCC(CC1)C[*:1] CCCn1nc(C(=O)N[*:1])c2ccccc2c1=O
CS(=O)(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)N1N=C(C[C@@H]1c1ccccc1)[*:1]
CS(=O)(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)N1N=C(C[C@H]1[*:1])c1ccc(Cl)cc1
COc1ncnc(N)c1C[NH+]1CCC(OCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ncnc(N)c1C[NH+]1CCC(CC1)OC[*:1]
COc1ncnc(N)c1C[NH+]1CCC(OCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] COc1ncnc(N)c1C[NH+]1CCC(CC1)O[*:1]
COc1ncnc(N)c1C[NH+]1CCC(OCCc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ncnc(N)c1C[NH+]1CCC(CC1)OCC[*:1]
O=C(NCCn1ccc2ccc(Br)cc21)[C@@H](c1ccccc1)n1cnnn1 c1ccc(cc1)[*:1] O=C(NCCn1ccc2ccc(Br)cc21)[C@@H](n1cnnn1)[*:1]
O=C(NCCn1ccc2ccc(Br)cc21)[C@@H](c1ccccc1)n1cnnn1 c1nnnn1[*:1] O=C(NCCn1ccc2ccc(Br)cc21)[C@@H](c1ccccc1)[*:1]
CC(=O)NCc1ccc(-c2nc(Nc3ccc(F)cc3F)sc2C)s1 CC(=O)N[*:1] Cc1sc(nc1-c1ccc(C[*:1])s1)Nc1ccc(F)cc1F
CC(=O)NCc1ccc(-c2nc(Nc3ccc(F)cc3F)sc2C)s1 Fc1ccc(c(F)c1)[*:1] CC(=O)NCc1ccc(s1)-c1nc(N[*:1])sc1C
CC(=O)NCc1ccc(-c2nc(Nc3ccc(F)cc3F)sc2C)s1 CC(=O)NC[*:1] Cc1sc(nc1-c1ccc(s1)[*:1])Nc1ccc(F)cc1F
CO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccco1 c1coc(c1)[*:1] CO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)C[*:1]
CO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccco1 c1coc(c1)C[*:1] CO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)[*:1]
CO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccco1 CO[C@H](C)[*:1] CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)[*:1]
[NH3+][C@@H]1C=C[C@@H](C(=O)NCCc2cccs2)C1 c1csc(c1)[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)NCC[*:1]
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H](NS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] O=[N+]([O-])[*:1] CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)c(c1)[*:1])C(=O)[O-]
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
Cc1ccccc1CN1CCN(C(=O)CCCNC(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] Cc1ccccc1CN1CCN(CC1)C(=O)CCCNC(=O)N[*:1]
Cc1ccccc1CN1CCN(C(=O)CCCNC(=O)NC2CCCCC2)CC1 Cc1ccccc1C[*:1] O=C(NCCCC(=O)N1CCN(CC1)[*:1])NC1CCCCC1
Cc1ccccc1CN1CCN(C(=O)CCCNC(=O)NC2CCCCC2)CC1 Cc1ccccc1[*:1] O=C(NCCCC(=O)N1CCN(CC1)C[*:1])NC1CCCCC1
CC(=O)c1cc2c(cc1NC(=O)Cc1c(C)nn(C)c1C)OCO2 Cc1nn(C)c(C)c1[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)C[*:1]
CC(=O)c1cc2c(cc1NC(=O)Cc1c(C)nn(C)c1C)OCO2 CC(=O)[*:1] Cc1nn(C)c(C)c1CC(=O)Nc1cc2OCOc2cc1[*:1]
CCC[C@H](Cc1ccc2nnnn2n1)[NH2+]C CCC[*:1] C[NH2+][C@@H](Cc1ccc2nnnn2n1)[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2n1C[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 O=C(C[*:1])N1CCCCC1 C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2n1[*:1]
CC(C)c1cc(OCC(=O)[O-])nc(Nc2ccc(F)cc2F)n1 O=C([O-])CO[*:1] CC(C)c1cc(nc(n1)Nc1ccc(F)cc1F)[*:1]
CC(C)c1cc(OCC(=O)[O-])nc(Nc2ccc(F)cc2F)n1 CC(C)[*:1] O=C([O-])COc1cc(nc(n1)Nc1ccc(F)cc1F)[*:1]
CC(C)c1cc(OCC(=O)[O-])nc(Nc2ccc(F)cc2F)n1 O=C([O-])[*:1] CC(C)c1cc(nc(n1)Nc1ccc(F)cc1F)OC[*:1]
CC(C)c1cc(OCC(=O)[O-])nc(Nc2ccc(F)cc2F)n1 O=C([O-])C[*:1] CC(C)c1cc(nc(n1)Nc1ccc(F)cc1F)O[*:1]
CCOc1cccc(N[C@@H]2CC[C@H]([NH3+])C2)c1 CCO[*:1] [NH3+][C@H]1CC[C@H](C1)Nc1cccc(c1)[*:1]
Oc1ccccc1SCCF FCC[*:1] Oc1ccccc1S[*:1]
O=C([O-])c1cccc(Br)c1C(F)(F)F O=C([O-])[*:1] FC(F)(F)c1c(Br)cccc1[*:1]
O=C([O-])c1cccc(Br)c1C(F)(F)F FC(F)(F)[*:1] O=C([O-])c1cccc(Br)c1[*:1]
C[C@@H](NC[C@H](c1cccs1)N(C)C)c1nc2c(s1)CCCC2 c1csc(c1)[*:1] C[C@@H](NC[C@H](N(C)C)[*:1])c1nc2CCCCc2s1
C[C@@H](NC[C@H](c1cccs1)N(C)C)c1nc2c(s1)CCCC2 CN(C)[*:1] C[C@@H](NC[C@H](c1cccs1)[*:1])c1nc2CCCCc2s1
c1ccc2c(-c3cn4c5ccccc5n(CC[NH+]5CCOCC5)c4n3)cccc2c1 c1ccc2c(cccc2c1)[*:1] c1ccc2c(c1)n(CC[NH+]1CCOCC1)c1nc(cn21)[*:1]
CC(C)Oc1cc(CCC(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)on1 CC(C)O[*:1] O=C(CCc1cc(no1)[*:1])N1C[C@H](CN2CCOCC2)c2ccccc21
CC(C)Oc1cc(CCC(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)on1 CC(C)[*:1] O=C(CCc1cc(no1)O[*:1])N1C[C@H](CN2CCOCC2)c2ccccc21
CC(C)Oc1cc(CCC(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)on1 CC(C)Oc1cc(on1)[*:1] O=C(CC[*:1])N1C[C@H](CN2CCOCC2)c2ccccc21
CC(C)Oc1cc(CCC(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)on1 C1CN(CCO1)[*:1] CC(C)Oc1cc(CCC(=O)N2C[C@H](C[*:1])c3ccccc32)on1
CC(C)Oc1cc(CCC(=O)N2C[C@H](CN3CCOCC3)c3ccccc32)on1 C1CN(CCO1)C[*:1] CC(C)Oc1cc(CCC(=O)N2C[C@H](c3ccccc32)[*:1])on1
Cc1nc(CC(=O)N/N=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cs1 Fc1ccc(cc1)O[*:1] Cc1nc(cs1)CC(=O)N/N=C/c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1nc(CC(=O)N/N=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cs1 O=[N+]([O-])[*:1] Cc1nc(cs1)CC(=O)N/N=C/c1ccc(Oc2ccc(F)cc2)c(c1)[*:1]
Cc1nc(CC(=O)N/N=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N/N=C/c1ccc(Oc2ccc(F)cc2)c(c1)[N+](=O)[O-]
Cc1nc(CC(=O)N/N=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)N/N=C/c1ccc(O[*:1])c(c1)[N+](=O)[O-]
Cc1nc(CC(=O)N/N=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cs1 Cc1nc(cs1)C[*:1] O=C(N/N=C/c1ccc(Oc2ccc(F)cc2)c(c1)[N+](=O)[O-])[*:1]
COc1ccc(Cl)cc1NC(=O)C[NH+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 COc1ccc(Cl)cc1[*:1] O=C(C[NH+]1CC=C(CC1)c1cnn(c1)-c1ccccc1)N[*:1]
COc1ccc(Cl)cc1NC(=O)C[NH+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)C[NH+]1CC=C(CC1)c1cnn(c1)[*:1]
COC1CCN(C(=O)NCCCCCc2ccccc2)CC1 c1ccc(cc1)[*:1] COC1CCN(CC1)C(=O)NCCCCC[*:1]
COC1CCN(C(=O)NCCCCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] COC1CCN(CC1)C(=O)NCCCC[*:1]
CCCn1cc(NC(=O)c2cc3ccccc3nc2N2CCCC2)cn1 CCC[*:1] O=C(Nc1cnn(c1)[*:1])c1cc2ccccc2nc1N1CCCC1
CCCn1cc(NC(=O)c2cc3ccccc3nc2N2CCCC2)cn1 CCCn1cc(cn1)[*:1] O=C(N[*:1])c1cc2ccccc2nc1N1CCCC1
CCCn1cc(NC(=O)c2cc3ccccc3nc2N2CCCC2)cn1 C1CCN(C1)[*:1] CCCn1cc(cn1)NC(=O)c1cc2ccccc2nc1[*:1]
Cc1nc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c(C)s1 Cc1nc(C[*:1])c(C)s1 C[C@@H]1C[C@@H]1C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1nc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c(C)s1 C[C@@H]1C[C@@H]1C(=O)N[*:1] Cc1nc(CNC(=O)c2cccc(c2)[*:1])c(C)s1
Cc1nc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c(C)s1 Cc1nc(c(C)s1)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1cccc(c1)C(=O)NC[*:1]
N#C[C@]1(NC2CC2)CC[C@@H](Sc2n[nH]c(=O)n2C2CC2)C1 C1CC1N[*:1] N#C[C@@]1(CC[C@H](C1)Sc1n[nH]c(=O)n1C1CC1)[*:1]
N#C[C@]1(NC2CC2)CC[C@@H](Sc2n[nH]c(=O)n2C2CC2)C1 C1CC1[*:1] N#C[C@@]1(CC[C@H](C1)Sc1n[nH]c(=O)n1[*:1])NC1CC1
N#C[C@]1(NC2CC2)CC[C@@H](Sc2n[nH]c(=O)n2C2CC2)C1 C1CC1[*:1] N#C[C@@]1(CC[C@H](C1)Sc1n[nH]c(=O)n1C1CC1)N[*:1]
O=C([O-])[C@@H]1C[NH2+]C[C@H](c2ccc(F)cc2)C1 O=C([O-])[*:1] Fc1ccc(cc1)[C@H]1C[NH2+]C[C@H](C1)[*:1]
Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)NC[*:1])C1=O
Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 Cc1ccc(cc1)C[*:1] CC(C)(C)c1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 CC(C)(C)c1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)CNC(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)[*:1]
C[C@H](CCCO)NS(=O)(=O)c1c(Cl)cccc1Cl C[C@H](CCCO)[*:1] O=S(=O)(N[*:1])c1c(Cl)cccc1Cl
C[C@H](CCCO)NS(=O)(=O)c1c(Cl)cccc1Cl OCCC[*:1] C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)[*:1]
C[C@H](CCCO)NS(=O)(=O)c1c(Cl)cccc1Cl OCC[*:1] C[C@H](C[*:1])NS(=O)(=O)c1c(Cl)cccc1Cl
CSC(C)(C)CNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C CSC(C)(C)[*:1] Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[*:1]
CSC(C)(C)CNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C CSC(C)(C)C[*:1] Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[*:1]
O=C(Cc1nccs1)c1cccc(C(F)(F)F)c1F c1csc(C[*:1])n1 O=C(c1cccc(c1F)C(F)(F)F)[*:1]
O=C(Cc1nccs1)c1cccc(C(F)(F)F)c1F c1csc(n1)[*:1] O=C(C[*:1])c1cccc(c1F)C(F)(F)F
O=C(Cc1nccs1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] O=C(Cc1nccs1)c1cccc(c1F)[*:1]
CCCOc1ccccc1C[C@H]1C(=O)Nc2ccc(C)cc21 CCC[*:1] Cc1ccc2NC(=O)[C@H](Cc3ccccc3O[*:1])c2c1
CCCOc1ccccc1C[C@H]1C(=O)Nc2ccc(C)cc21 CCCO[*:1] Cc1ccc2NC(=O)[C@H](Cc3ccccc3[*:1])c2c1
CCO[C@@H]1C[C@@H]([O-])C12CCN(C(=O)c1cccs1)CC2 CCO[*:1] O=C(c1cccs1)N1CCC2(CC1)[C@H]([O-])C[C@H]2[*:1]
CCO[C@@H]1C[C@@H]([O-])C12CCN(C(=O)c1cccs1)CC2 c1csc(c1)[*:1] CCO[C@@H]1C[C@@H]([O-])C12CCN(CC2)C(=O)[*:1]
NC(=O)Nc1ccc(NC(=O)[C@H]2CCN(c3cc(F)cc(F)c3)C2=O)cc1 Fc1cc(F)cc(c1)[*:1] NC(=O)Nc1ccc(cc1)NC(=O)[C@H]1CCN(C1=O)[*:1]
NC(=O)Nc1ccc(NC(=O)[C@H]2CCN(c3cc(F)cc(F)c3)C2=O)cc1 NC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCN(C1=O)c1cc(F)cc(F)c1
CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccncc1 Clc1ccc(c(Cl)c1)[*:1] CCn1c(nnc1-c1ccncc1)S[C@@H](C)C(=O)N[C@H](C)[*:1]
CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])S[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl
Cc1cc(C(=O)N2CCO[C@H](C)C2)sc1/C=C/C(=O)[O-] O=C([O-])[*:1] Cc1cc(sc1C=C[*:1])C(=O)N1CCO[C@H](C)C1
CC[C@@H](C)c1ccc(NC(=O)Nc2nccc(C)n2)cc1 CC[C@@H](C)[*:1] Cc1ccnc(n1)NC(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)c1ccc(NC(=O)Nc2nccc(C)n2)cc1 Cc1ccnc(n1)[*:1] CC[C@@H](C)c1ccc(cc1)NC(=O)N[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccco1 c1coc(c1)C[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccco1 c1coc(c1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C[*:1]
COCC[C@H]1CN(C(=O)CCC(=O)NC2CCCC2)CCO1 C1CCC(C1)[*:1] COCC[C@H]1CN(CCO1)C(=O)CCC(=O)N[*:1]
COCC[C@H]1CN(C(=O)CCC(=O)NC2CCCC2)CCO1 COC[*:1] O=C(CCC(=O)N1CCO[C@H](C1)C[*:1])NC1CCCC1
COCC[C@H]1CN(C(=O)CCC(=O)NC2CCCC2)CCO1 COCC[*:1] O=C(CCC(=O)N1CCO[C@H](C1)[*:1])NC1CCCC1
O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)-c1nnc2CCCCCn21)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 C1CCc2nnc(n2CC1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1cccs1
CCCN(CC(C)(C)C[NH3+])[C@H]1CCCc2ccccc21 CCC[*:1] CC(C)(C[NH3+])CN([C@H]1CCCc2ccccc21)[*:1]
CC[C@@H](CSC)N(C)S(=O)(=O)c1ccc(C)cc1Br CSC[*:1] CC[C@@H](N(C)S(=O)(=O)c1ccc(C)cc1Br)[*:1]
Cn1c(N)c(C(N)=S)sc1=S NC(=S)[*:1] Cn1c(N)c(sc1=S)[*:1]
CCn1cc(S(=O)(=O)NCCc2cscn2)cn1 c1nc(cs1)C[*:1] CCn1cc(cn1)S(=O)(=O)NC[*:1]
CCn1cc(S(=O)(=O)NCCc2cscn2)cn1 c1nc(cs1)[*:1] CCn1cc(cn1)S(=O)(=O)NCC[*:1]
CCOC(=O)NCCC(=O)Oc1ccccc1F CCOC(=O)N[*:1] O=C(CC[*:1])Oc1ccccc1F
C[C@@H]1CN(Cc2ccc(CO)o2)[C@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(Cc2ccc(CO)o2)[C@H](CO1)[*:1]
C[C@@H]1CN(Cc2ccc(CO)o2)[C@H](c2ccccc2)CO1 OCc1ccc(o1)[*:1] C[C@@H]1CN(C[*:1])[C@@H](CO1)c1ccccc1
CCC(=O)Nc1cccc(NC(=O)C(=O)NC(CC)CC)c1 CCC(=O)N[*:1] CCC(CC)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CCC(=O)Nc1cccc(NC(=O)C(=O)NC(CC)CC)c1 CCC(CC)[*:1] CCC(=O)Nc1cccc(c1)NC(=O)C(=O)N[*:1]
Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(N3CCOCC3)nc2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)-c1n[nH]c(=S)n1CCC(=O)Nc1ccc(nc1)[*:1]
Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(N3CCOCC3)nc2)c1 Cc1cccc(c1)[*:1] O=C(CCn1c(n[nH]c1=S)[*:1])Nc1ccc(nc1)N1CCOCC1
C[C@H](CO)[C@H](C)NC(=O)NCCc1c[nH]c2ccc(F)cc12 C[C@H](CO)[*:1] C[C@H](NC(=O)NCCc1c[nH]c2ccc(F)cc12)[*:1]
CCC[NH+]1CCC(NC(=O)c2c(C)nn(CCCl)c2C)CC1 CCC[*:1] Cc1nn(CCCl)c(C)c1C(=O)NC1CC[NH+](CC1)[*:1]
CCC[NH+]1CCC(NC(=O)c2c(C)nn(CCCl)c2C)CC1 ClCC[*:1] CCC[NH+]1CCC(CC1)NC(=O)c1c(C)nn(c1C)[*:1]
C[C@@H](C(=O)NCc1ccc(Cl)cc1)[S@@](=O)Cc1ccc(F)cc1 Clc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])[S@@](=O)Cc1ccc(F)cc1
C[C@@H](C(=O)NCc1ccc(Cl)cc1)[S@@](=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NCc1ccc(Cl)cc1)[S@@](=O)C[*:1]
Cc1ccsc1C(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccco1 c1coc(c1)C[*:1] Cc1ccsc1C(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)[*:1]
Cc1ccsc1C(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccco1 c1coc(c1)[*:1] Cc1ccsc1C(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)C[*:1]
Cc1ccsc1C(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccco1 Cc1ccsc1[*:1] O=C(CN(Cc1ccco1)C(=O)[*:1])Nc1ccccc1C(F)(F)F
Cc1ccsc1C(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccco1 FC(F)(F)[*:1] Cc1ccsc1C(=O)N(CC(=O)Nc1ccccc1[*:1])Cc1ccco1
O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)N[C@H]1CCOc2ccccc21 O=[N+]([O-])[*:1] O=C(Cn1cnc2cc(ccc2c1=O)[*:1])N[C@H]1CCOc2ccccc21
CCC[NH2+][C@H](Cc1ncccc1C)C1CCCCC1 C1CCC(CC1)[*:1] CCC[NH2+][C@H](Cc1ncccc1C)[*:1]
CCC[NH2+][C@H](Cc1ncccc1C)C1CCCCC1 CCC[*:1] Cc1cccnc1C[C@@H]([NH2+][*:1])C1CCCCC1
COc1ccc(-c2noc(CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)C3CCCCC3)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N(Cc1nc(no1)[*:1])C1CCCCC1
COc1ccc(-c2noc(CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)C3CCCCC3)n2)cc1 Cc1ccc(cc1[N+](=O)[O-])[*:1] COc1ccc(cc1)-c1noc(CN(C(=O)[*:1])C2CCCCC2)n1
COc1ccc(-c2noc(CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)C3CCCCC3)n2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1noc(CN(C(=O)c2ccc(C)c(c2)[*:1])C2CCCCC2)n1
COc1ccc(-c2noc(CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)C3CCCCC3)n2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)-c1noc(CN(C(=O)c2ccc(C)c(c2)[N+](=O)[O-])[*:1])n1
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC)N(Cc2cscc2C)C1=O CC[C@H](C)[*:1] CC[C@@H]1C(=O)N[C@H](C(=O)N1Cc1cscc1C)[*:1]
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC)N(Cc2cscc2C)C1=O Cc1cscc1C[*:1] CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC)N(C1=O)[*:1]
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC)N(Cc2cscc2C)C1=O Cc1cscc1[*:1] CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC)N(C[*:1])C1=O
CCOc1ccc([C@H](C)NC(=O)c2csnn2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H](C)NC(=O)c1csnn1
CCOc1ccc([C@H](C)NC(=O)c2csnn2)cc1OC c1snnc1[*:1] CCOc1ccc(cc1OC)[C@H](C)NC(=O)[*:1]
C=CCN(CC(=O)[O-])C(=O)N1CCOCC1(C)C O=C([O-])C[*:1] C=CCN(C(=O)N1CCOCC1(C)C)[*:1]
C=CCN(CC(=O)[O-])C(=O)N1CCOCC1(C)C C=CC[*:1] CC1(C)COCCN1C(=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])C(=O)N1CCOCC1(C)C O=C([O-])[*:1] C=CCN(C[*:1])C(=O)N1CCOCC1(C)C
CO[C@@H](C)c1nc(Cl)c2c(n1)CCC2 CO[C@@H](C)[*:1] Clc1nc(nc2CCCc12)[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 N#Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H]1[C@@H](C#N)[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 N#C[C@@H](c1ccccc1)[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@@H]1[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 N#Cc1cccc(c1)O[*:1] C[C@H](C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[*:1]
COc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)cn2)cc1 COc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)Cn1cnc(cc1=O)[*:1]
COc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)cn2)cc1 NC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(=O)n(cn1)CC(=O)N[*:1]
COc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)cn2)cc1 NC(=O)[*:1] COc1ccc(cc1)-c1cc(=O)n(cn1)CC(=O)Nc1ccc(cc1)[*:1]
CCC(CC)NC(=O)NC[C@@H](C)Cn1cccn1 CCC(CC)[*:1] C[C@H](CNC(=O)N[*:1])Cn1cccn1
CCC(CC)NC(=O)NC[C@@H](C)Cn1cccn1 c1cnn(c1)C[*:1] CCC(CC)NC(=O)NC[C@@H](C)[*:1]
CCC(CC)NC(=O)NC[C@@H](C)Cn1cccn1 c1cnn(c1)[*:1] CCC(CC)NC(=O)NC[C@@H](C)C[*:1]
CC(C)NC(=O)O[C@@H]1CC[C@@H]([NH3+])C1 CC(C)[*:1] [NH3+][C@@H]1CC[C@H](C1)OC(=O)N[*:1]
CSCC[C@@H]([NH3+])c1nc2ccc(Cl)cc2s1 CSCC[*:1] [NH3+][C@@H](c1nc2ccc(Cl)cc2s1)[*:1]
CSCC[C@@H]([NH3+])c1nc2ccc(Cl)cc2s1 CSC[*:1] [NH3+][C@H](C[*:1])c1nc2ccc(Cl)cc2s1
CCN(Cc1ccccn1)Cc1nccn1C(F)F c1ccc(nc1)[*:1] CCN(Cc1nccn1C(F)F)C[*:1]
CCN(Cc1ccccn1)Cc1nccn1C(F)F FC(F)[*:1] CCN(Cc1ccccn1)Cc1nccn1[*:1]
Cc1nc(-c2cccc(NC(=O)c3cc(F)cc4[nH]cnc34)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(F)cc2[nH]cnc12
C[C@H]1CCC[C@@H](N(C)C(=O)c2ccccc2OC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)c1ccccc1OC[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)c2ccccc2OC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)C[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)c1ccccc1O[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)c2ccccc2OC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)CO[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)c1ccccc1[*:1]
C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)CCCC2 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nnc(o1)[*:1])c1ccc2CCCCc2c1
COc1ccc(N2/C(=N/C(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1])[C@@H]1CCCO1
COc1ccc(N2/C(=N/C(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl C1CO[C@@H](C1)[*:1] COc1ccc(cc1Cl)N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
Nc1ccc2oc(NCc3cccs3)nc2c1 c1csc(c1)[*:1] Nc1ccc2oc(nc2c1)NC[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)NCc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)O[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)NCc1ccc(cc1)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)NCc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)NCc1ccc(cc1)O[*:1]
CNC(=O)c1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 CC(C)C[*:1] CNC(=O)c1cccc(c1)NC(=O)c1ccc(cc1)OC[*:1]
CNC(=O)c1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 CC(C)[*:1] CNC(=O)c1cccc(c1)NC(=O)c1ccc(cc1)OCC[*:1]
CNC(=O)c1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 CNC(=O)[*:1] CC(C)CCOc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
CNC(=O)c1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 CC(C)CC[*:1] CNC(=O)c1cccc(c1)NC(=O)c1ccc(cc1)O[*:1]
CNC(=O)c1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 CC(C)CCO[*:1] CNC(=O)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CC1 c1ccc(cc1)[*:1] O=C(CCCn1nc(c2cc(Cl)ccc21)[*:1])NC1CC1
O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CC1 O=C(NC1CC1)[*:1] Clc1ccc2c(c1)c(nn2CCC[*:1])-c1ccccc1
O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CC1 O=C(C[*:1])NC1CC1 Clc1ccc2c(c1)c(nn2CC[*:1])-c1ccccc1
O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CC1 C1CC1[*:1] O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)N[*:1]
O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CC1 O=C(CC[*:1])NC1CC1 Clc1ccc2c(c1)c(nn2C[*:1])-c1ccccc1
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C[C@H](C)C1 Cn1cnn(c1=O)[*:1] C[C@H]1CCN(C[C@H](C)C1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CCCCn1c(=O)c2c(nc3oc(C)cn32)n(C)c1=O CCC[*:1] Cc1cn2c(nc3c2c(=O)n(C[*:1])c(=O)n3C)o1
CCCCn1c(=O)c2c(nc3oc(C)cn32)n(C)c1=O CCCC[*:1] Cc1cn2c(nc3c2c(=O)n(c(=O)n3C)[*:1])o1
Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)c2c(F)cccc2Cl)c1=O O=C(N1CCOCC1)[*:1] Cn1cc(cc(NC(=O)c2c(F)cccc2Cl)c1=O)[*:1]
Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)c2c(F)cccc2Cl)c1=O Fc1cccc(Cl)c1[*:1] Cn1cc(cc(NC(=O)[*:1])c1=O)C(=O)N1CCOCC1
Cc1ccc(-c2csc3nc(Cn4cc(C(F)(F)F)ccc4=O)[nH]c(=O)c23)s1 FC(F)(F)[*:1] Cc1ccc(s1)-c1csc2nc(Cn3cc(ccc3=O)[*:1])[nH]c(=O)c12
Cc1ccc(-c2csc3nc(Cn4cc(C(F)(F)F)ccc4=O)[nH]c(=O)c23)s1 Cc1ccc(s1)[*:1] O=c1[nH]c(Cn2cc(ccc2=O)C(F)(F)F)nc2scc(c12)[*:1]
CCCNS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])C1CCCCC1
CCCNS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 CCCNS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCCCC1
CCCNS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] CCCNS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(C2=NN=C[C@@H]2C(=O)[O-])cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)C1=NN=C[C@H]1[*:1]
Cc1nc(CS(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)sc1C Cc1nc(sc1C)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)[C@@H](C)S(=O)(=O)C[*:1]
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl c1ccc(cc1)[*:1] CCn1c(C[*:1])nnc1SCC(=O)Nc1cc(Cl)ccc1Cl
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] CCn1c(Cc2ccccc2)nnc1SCC(=O)N[*:1]
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl c1ccc(cc1)C[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cc(Cl)ccc1Cl
COC(=O)[C@H]1[NH+]=c2cc(C)ccc2=C1NC(=O)C[NH+]1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] COC(=O)[C@H]1[NH+]=c2cc(C)ccc2=C1NC(=O)C[NH+]1CCN(CC1)[*:1]
COC(=O)[C@H]1[NH+]=c2cc(C)ccc2=C1NC(=O)C[NH+]1CCN(c2ccccc2F)CC1 COC(=O)[*:1] Cc1ccc2=C(NC(=O)C[NH+]3CCN(CC3)c3ccccc3F)[C@H]([NH+]=c2c1)[*:1]
COc1cccc(CCC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c1 Fc1cccc(F)c1[*:1] COc1cccc(c1)CCC(=O)N[C@@H]1CCN(C1)[*:1]
COc1cccc(CCC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c1 COc1cccc(c1)[*:1] O=C(CC[*:1])N[C@@H]1CCN(C1)c1c(F)cccc1F
CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(CCCC2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2CCCCC=2[C@@H]1[*:1]
CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(CCCC2)[C@H]1c1ccccc1 CCOC(=O)[*:1] N#CC1C2CCCCC=2[C@@H](c2ccccc2)[C@](C#N)(C=1N)[*:1]
CC1=C2[C@H](c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(C#N)=C(N)O[C@H]2N=N1 Fc1ccc(cc1)[*:1] CC1N=N[C@@H]2OC(N)=C(C#N)[C@H](C=12)c1ccc(OC[*:1])c(Cl)c1
CC1=C2[C@H](c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(C#N)=C(N)O[C@H]2N=N1 Fc1ccc(cc1)C[*:1] CC1N=N[C@@H]2OC(N)=C(C#N)[C@H](C=12)c1ccc(O[*:1])c(Cl)c1
CC1=C2[C@H](c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(C#N)=C(N)O[C@H]2N=N1 Fc1ccc(cc1)CO[*:1] CC1N=N[C@@H]2OC(N)=C(C#N)[C@H](C=12)c1ccc(c(Cl)c1)[*:1]
COc1ccc2nc(/C=C/c3ccccc3OCC(=O)N3CCCC3)sc2c1 O=C(CO[*:1])N1CCCC1 COc1ccc2nc(/C=C/c3ccccc3[*:1])sc2c1
COc1ccc2nc(/C=C/c3ccccc3OCC(=O)N3CCCC3)sc2c1 O=C(N1CCCC1)[*:1] COc1ccc2nc(/C=C/c3ccccc3OC[*:1])sc2c1
COc1ccc2nc(/C=C/c3ccccc3OCC(=O)N3CCCC3)sc2c1 O=C(C[*:1])N1CCCC1 COc1ccc2nc(/C=C/c3ccccc3O[*:1])sc2c1
CCc1sc([C@H](C)NC(=O)[C@@H](C)C2CCOCC2)cc1C C1CC(CCO1)[*:1] CCc1sc(cc1C)[C@H](C)NC(=O)[C@@H](C)[*:1]
Cc1nn(C)c(C)c1-c1nn2c(C3CC3)nnc2s1 C1CC1[*:1] Cc1nn(C)c(C)c1-c1nn2c(nnc2s1)[*:1]
CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)s1 c1ccc(cc1)[*:1] CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)N[*:1])s1
CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)s1 CCc1nnc(s1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)Nc1ccccc1
CO[C@H](C)CCOC(=O)[C@@H]1CCOc2ccccc21 CO[C@H](C)CC[*:1] O=C(O[*:1])[C@@H]1CCOc2ccccc21
CO[C@H](C)CCOC(=O)[C@@H]1CCOc2ccccc21 CO[C@H](C)C[*:1] O=C(OC[*:1])[C@@H]1CCOc2ccccc21
CO[C@H](C)CCOC(=O)[C@@H]1CCOc2ccccc21 CO[C@H](C)[*:1] O=C(OCC[*:1])[C@@H]1CCOc2ccccc21
C[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1 C[C@@H](c1ccncc1)[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccc(cc1)-c1cncnc1
C[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1 c1cc(ccn1)[*:1] C[C@@H](N(C)C(=O)N[C@H](C)c1ccc(cc1)-c1cncnc1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H](O)c3ccccc3)ccc12 c1ccc(cc1)[*:1] CCc1cc(=O)oc2cc(ccc12)O[C@H](C)C(=O)NC[C@H](O)[*:1]
CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H](O)c3ccccc3)ccc12 O[C@@H](C[*:1])c1ccccc1 CCc1cc(=O)oc2cc(ccc12)O[C@H](C)C(=O)N[*:1]
CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H](O)c3ccccc3)ccc12 O[C@H](c1ccccc1)[*:1] CCc1cc(=O)oc2cc(ccc12)O[C@H](C)C(=O)NC[*:1]
CC(=O)OC1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 CC(=O)O[*:1] c1cc2OCCOc2cc1-c1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
CCOc1ncccc1C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCOc1ncccc1C(=O)N[C@@H](C)[*:1]
CCOc1ncccc1C(=O)N[C@@H](C)c1ccccc1 CCO[*:1] C[C@H](NC(=O)c1cccnc1[*:1])c1ccccc1
NC(=O)c1cc([N+](=O)[O-])ccc1NCCC1=CCCCC1 O=[N+]([O-])[*:1] NC(=O)c1cc(ccc1NCCC1=CCCCC1)[*:1]
NC(=O)c1cc([N+](=O)[O-])ccc1NCCC1=CCCCC1 NC(=O)[*:1] O=[N+]([O-])c1ccc(NCCC2=CCCCC2)c(c1)[*:1]
N#Cc1ccc(COC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 N#Cc1ccc(cc1)C[*:1] O=C(Cc1csc(n1)NC(=O)c1ccccc1)O[*:1]
N#Cc1ccc(COC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 O=C(N[*:1])c1ccccc1 N#Cc1ccc(cc1)COC(=O)Cc1csc(n1)[*:1]
N#Cc1ccc(COC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)COC(=O)Cc1csc(n1)NC(=O)[*:1]
N#Cc1ccc(COC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 N#Cc1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccccc1)OC[*:1]
COc1ccc2c(c1)=C1CCN[C@@H]([C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)[C@@H](O)N=C3O)[C@H]1[NH+]=2 FC(F)(F)[*:1] COc1ccc2=[NH+][C@H]3C(CCN[C@H]3[C@H]3C(=O)N(c4cccc(c4)[*:1])[C@@H](O)N=C3O)=c2c1
COc1ccc2c(c1)=C1CCN[C@@H]([C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)[C@@H](O)N=C3O)[C@H]1[NH+]=2 FC(F)(F)c1cccc(c1)[*:1] COc1ccc2=[NH+][C@H]3C(CCN[C@H]3[C@H]3C(=O)N([C@@H](O)N=C3O)[*:1])=c2c1
Cc1cccc(C(=O)OCC[NH+](C)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)C(=O)OCC[NH+](C)[*:1]
CN1CC[NH+]([C@]2(C(=O)[O-])CCCC2(C)C)CC1 O=C([O-])[*:1] CN1CC[NH+](CC1)[C@@]1(CCCC1(C)C)[*:1]
Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2CCN2CCOCC2)c1Cl C1CN(CCO1)[*:1] Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2CC[*:1])c1Cl
Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2CCN2CCOCC2)c1Cl C1CN(CCO1)C[*:1] Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C[*:1])c1Cl
Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2CCN2CCOCC2)c1Cl C1CN(CCO1)CC[*:1] Cc1ccc(F)c(C(=O)N2CCCC[C@H]2[*:1])c1Cl
CCCc1cc(NCc2cc(F)cc3cccnc23)n(C)n1 CCC[*:1] Cn1nc(cc1NCc1cc(F)cc2cccnc12)[*:1]
NS(=O)(=O)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 NS(=O)(=O)CC[*:1] O=C(N[*:1])c1c[nH]nc1-c1ccc(F)cc1
NS(=O)(=O)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NS(=O)(=O)CCNC(=O)c1c[nH]nc1[*:1]
NS(=O)(=O)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 NS(=O)(=O)C[*:1] O=C(NC[*:1])c1c[nH]nc1-c1ccc(F)cc1
NS(=O)(=O)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 NS(=O)(=O)[*:1] O=C(NCC[*:1])c1c[nH]nc1-c1ccc(F)cc1
CCC[C@@H]1C[C@@H]1NC(=O)Cc1csc(-c2cccs2)n1 CCC[*:1] O=C(Cc1csc(n1)-c1cccs1)N[C@H]1C[C@H]1[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)Cc1csc(-c2cccs2)n1 c1csc(c1)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)Cc1csc(n1)[*:1]
CN1CCO[C@H]2CN(C(=O)C[C@H](O)c3ccccc3)C[C@@H]21 c1ccc(cc1)[*:1] CN1CCO[C@H]2CN(C[C@@H]21)C(=O)C[C@H](O)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)n1 c1cc2OCCOc2cc1[*:1] O=C(Nc1ccc2OCCOc2c1)c1cccc(n1)C(=O)N[*:1]
Cc1cc2ncn(C[C@H](O)COc3ccc(C(C)C)cc3)c2cc1C CC(C)[*:1] Cc1cc2ncn(C[C@H](O)COc3ccc(cc3)[*:1])c2cc1C
NC(=O)c1ccccc1NC(=O)[C@@H]1N=NC=C1I NC(=O)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1N=NC=C1I
O=C(c1ccccc1)N1CCN(C(=O)[C@H]2C=c3ccccc3=[NH+]2)CC1 c1ccc(cc1)[*:1] O=C([C@H]1C=c2ccccc2=[NH+]1)N1CCN(CC1)C(=O)[*:1]
CS[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1 C1CCC(C1)[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)[C@@H]1CCCN1C(=O)[*:1]
C[NH+](C)CC(C)(C)CN1CCN(c2nc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] C[NH+](C)CC(C)(C)CN1CCN(CC1)c1nc(no1)[*:1]
NS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2csc(-c3ccc(F)cc3)n2)c1 Fc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)OCc1csc(n1)[*:1]
NS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2csc(-c3ccc(F)cc3)n2)c1 NS(=O)(=O)[*:1] O=C(OCc1csc(n1)-c1ccc(F)cc1)c1cc(ccc1Cl)[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nc3c(c2=O)SCC3)cc1OC COc1ccc(cc1OC)[*:1] O=C(CSc1nc2CCSc2c(=O)n1[*:1])Nc1ccc(F)cc1F
COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nc3c(c2=O)SCC3)cc1OC Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1OC)-n1c(nc2CCSc2c1=O)SCC(=O)N[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nc3c(c2=O)SCC3)cc1OC O=C(Nc1ccc(F)cc1F)[*:1] COc1ccc(cc1OC)-n1c(nc2CCSc2c1=O)SC[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 O=C1CC[C@H](N1)[*:1] CC(C)[C@H](NC(=O)[*:1])c1ccccc1
CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 CC(C)[*:1] O=C1CC[C@H](N1)C(=O)N[C@H](c1ccccc1)[*:1]
Cc1cc(C)nc([C@H](C#N)C(=O)c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cc1cc(C)nc(n1)[C@H](C#N)C(=O)c1ccc(cc1)[*:1]
O=C(c1cc2ccccc2[nH]1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 c1nc(cs1)C[*:1] O=C(c1cc2ccccc2[nH]1)N1CCC(CC1)c1[nH+]ccn1[*:1]
O=C(c1cc2ccccc2[nH]1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 c1nc(cs1)[*:1] O=C(c1cc2ccccc2[nH]1)N1CCC(CC1)c1[nH+]ccn1C[*:1]
O=C(c1cc2ccccc2[nH]1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 c1ccc2[nH]c(cc2c1)[*:1] O=C(N1CCC(CC1)c1[nH+]ccn1Cc1cscn1)[*:1]
O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] O=C(Nc1cccc(c1)C(=O)N1CCCCC1)c1[nH]nc(c1Cl)[*:1]
O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1[nH]nc(C2CC2)c1Cl O=C(N1CCCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1[nH]nc(c1Cl)C1CC1
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 Cc1ccc(cc1C)[*:1] COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)CO[*:1]
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 Cc1ccc(cc1C)OC[*:1] COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)[*:1]
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 Cc1ccc(cc1C)O[*:1] COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)C[*:1]
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 COc1ccccc1[*:1] Cc1ccc(cc1C)OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2[*:1]
C[C@H](C(=O)NCCc1ccco1)n1c(=O)c(C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] C[C@H](C(=O)NCCc1ccco1)n1c(=O)c(nc2ccccc21)[*:1]
C[C@H](C(=O)NCCc1ccco1)n1c(=O)c(C(F)(F)F)nc2ccccc21 c1coc(c1)[*:1] C[C@H](C(=O)NCC[*:1])n1c(=O)c(nc2ccccc21)C(F)(F)F
C[C@H](C(=O)NCCc1ccco1)n1c(=O)c(C(F)(F)F)nc2ccccc21 c1coc(c1)CC[*:1] C[C@H](C(=O)N[*:1])n1c(=O)c(nc2ccccc21)C(F)(F)F
C[C@H](C(=O)NCCc1ccco1)n1c(=O)c(C(F)(F)F)nc2ccccc21 c1coc(c1)C[*:1] C[C@H](C(=O)NC[*:1])n1c(=O)c(nc2ccccc21)C(F)(F)F
O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)N[*:1]
COC(=O)C1=C(C)N(C)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(C)=O)c(OC)c1 CC(=O)O[*:1] COC(=O)C1=C(C)N(C)C2CC(C)(C)CC(=O)C=2[C@H]1c1ccc(c(c1)OC)[*:1]
COC(=O)C1=C(C)N(C)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(C)=O)c(OC)c1 COC(=O)[*:1] COc1cc(ccc1OC(C)=O)[C@@H]1C2C(=O)CC(C)(C)CC=2N(C)C(C)=C1[*:1]
Cc1csc(NC(=O)OCCCl)n1 ClCC[*:1] Cc1csc(n1)NC(=O)O[*:1]
CCOc1ncccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 Fc1ccc(cc1)[*:1] CCOc1ncccc1C(=O)NC[C@@H](N1CCOCC1)[*:1]
CCOc1ncccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 CCOc1ncccc1[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[*:1]
CCOc1ncccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] CCOc1ncccc1C(=O)NC[C@@H](c1ccc(F)cc1)[*:1]
CCOc1ncccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 CCO[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccnc1[*:1]
Cc1cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)n(C)n1 CC(C)(C)[*:1] Cc1cc(C(=O)N2CCCN(CC2)C(=O)O[*:1])n(C)n1
Cc1cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)n(C)n1 Cc1cc(n(C)n1)[*:1] CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)[*:1]
CCC[NH+](Cc1cn2ccccc2n1)CC1CC[NH2+]CC1 CCC[*:1] c1ccn2cc(C[NH+](CC3CC[NH2+]CC3)[*:1])nc2c1
Cc1csc(SC[C@@H](O)COc2ccccc2F)n1 Cc1csc(n1)[*:1] O[C@@H](COc1ccccc1F)CS[*:1]
Cc1nn(CC(=O)N(C)C2CCSCC2)c(=O)n1CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1nn(CC(=O)N(C)C2CCSCC2)c(=O)n1[*:1]
Cc1nn(CC(=O)N(C)C2CCSCC2)c(=O)n1CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(CC(=O)N(C)C2CCSCC2)c(=O)n1C[*:1]
Cc1nn(CC(=O)N(C)C2CCSCC2)c(=O)n1CCc1ccccc1 C1CC(CCS1)[*:1] Cc1nn(CC(=O)N(C)[*:1])c(=O)n1CCc1ccccc1
Cc1nn(CC(=O)N(C)C2CCSCC2)c(=O)n1CCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(CC(=O)N(C)C2CCSCC2)c(=O)n1CC[*:1]
Cc1cc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c2c(C)noc2n1 CC(C)[*:1] Cc1cc(C(=O)NC2CCN(CC2)C(=O)C[*:1])c2c(C)noc2n1
Cc1cc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c2c(C)noc2n1 CC(C)C[*:1] Cc1cc(C(=O)NC2CCN(CC2)C(=O)[*:1])c2c(C)noc2n1
COCCNC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2)CC1 COC[*:1] CC(C)c1nc(no1)-c1ccc(cc1)N1CCN(CC1)C(=O)NC[*:1]
COCCNC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2)CC1 CC(C)[*:1] COCCNC(=O)N1CCN(CC1)c1ccc(cc1)-c1noc(n1)[*:1]
COCCNC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2)CC1 CC(C)c1nc(no1)[*:1] COCCNC(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
COCCNC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2)CC1 COCC[*:1] CC(C)c1nc(no1)-c1ccc(cc1)N1CCN(CC1)C(=O)N[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2C2CCCCC2)cc1 CCC(=O)N[*:1] O=S(=O)(Nc1ccnn1C1CCCCC1)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2C2CCCCC2)cc1 C1CCC(CC1)[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1[*:1]
Cc1cc(C)nc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1 Brc1cccc(c1)[*:1] Cc1cc(C)nc(c1)C(=O)Nc1nc(cs1)[*:1]
O=S(=O)(NC[C@@H](O)C1CCCCC1)c1cccc2cccnc12 C1CCC(CC1)[*:1] O=S(=O)(NC[C@@H](O)[*:1])c1cccc2cccnc12
CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1 CCO[*:1] O/N=C/c1cc(Cl)c(OCc2ccccc2)c(c1)[*:1]
CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1 c1ccc(cc1)[*:1] CCOc1cc(/C=N/O)cc(Cl)c1OC[*:1]
CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1 ON=C[*:1] CCOc1cc(cc(Cl)c1OCc1ccccc1)[*:1]
CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1 c1ccc(cc1)C[*:1] CCOc1cc(/C=N/O)cc(Cl)c1O[*:1]
O=C(Nc1cccc(F)c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)c1ccc2c(c1)CCN2S(=O)(=O)[*:1]
O=C(Nc1cccc(F)c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 Fc1cccc(c1)[*:1] O=C(N[*:1])c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
COC(=O)[C@]1(Nc2cccc(OC)c2)CCCS[C@H]1C COC(=O)[*:1] COc1cccc(c1)N[C@@]1(CCCS[C@H]1C)[*:1]
Cc1cc(C)c2sc(N(Cc3ccncc3)C(=O)Cc3ccc(F)cc3)nc2c1 c1cc(ccn1)[*:1] Cc1cc(C)c2sc(nc2c1)N(C[*:1])C(=O)Cc1ccc(F)cc1
Cc1cc(C)c2sc(N(Cc3ccncc3)C(=O)Cc3ccc(F)cc3)nc2c1 c1cc(ccn1)C[*:1] Cc1cc(C)c2sc(nc2c1)N(C(=O)Cc1ccc(F)cc1)[*:1]
Cc1cc(C)c2sc(N(Cc3ccncc3)C(=O)Cc3ccc(F)cc3)nc2c1 Fc1ccc(cc1)C[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1ccncc1)C(=O)[*:1]
Cc1cc(C)c2sc(N(Cc3ccncc3)C(=O)Cc3ccc(F)cc3)nc2c1 Fc1ccc(cc1)[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1ccncc1)C(=O)C[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1cn(-c2ccccc2)nc1C COC(=O)[*:1] Cc1nn(cc1C(=O)N[C@@H]1CCCCC[C@H]1[*:1])-c1ccccc1
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1cn(-c2ccccc2)nc1C c1ccc(cc1)[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1cn(nc1C)[*:1]
Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)c12 C1CN(CCO1)[*:1] Cc1noc2nc(cc(C(=O)NCc3ccc([nH+]c3)[*:1])c12)-c1ccccc1F
Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)c12 Fc1ccccc1[*:1] Cc1noc2nc(cc(C(=O)NCc3ccc([nH+]c3)N3CCOCC3)c12)[*:1]
Cc1cc(C[NH+]2C[C@@H](C)[C@H](C)C2)oc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(C[NH+]2C[C@@H](C)[C@H](C)C2)oc1[*:1]
O=C(NCCCNC(=O)c1ccn2cncc2c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCCCNC(=O)[*:1])c1ccn2cncc2c1
CC[C@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)Nc1nnc(C)s1 Cc1nnc(NC(=O)[*:1])s1 CC[C@H](Sc1nnc2c3ccccc3n(c2n1)C(C)C)[*:1]
CC[C@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)Nc1nnc(C)s1 CC(C)[*:1] CC[C@H](Sc1nnc2c3ccccc3n(c2n1)[*:1])C(=O)Nc1nnc(C)s1
CC[C@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)Nc1nnc(C)s1 Cc1nnc(s1)[*:1] CC[C@H](Sc1nnc2c3ccccc3n(c2n1)C(C)C)C(=O)N[*:1]
C[C@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3sccc32)C(=O)N1Cc1cccs1 c1csc(c1)C[*:1] C[C@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3sccc32)C(=O)N1[*:1]
C[C@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3sccc32)C(=O)N1Cc1cccs1 C[C@H]1CCCC[C@H]1NC(=O)[*:1] C[C@@]1(Cn2c(cc3sccc32)C(=O)N1Cc1cccs1)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3sccc32)C(=O)N1Cc1cccs1 c1csc(c1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3sccc32)C(=O)N1C[*:1]
CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 CC[C@H](C)[*:1] C[C@H]([NH2+][*:1])[C@@H]1CCC[NH2+]C1
Cc1ccc(N2CC[C@H](NC(=O)N3CCC([C@H](C)O)CC3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@H](O)C1CCN(CC1)C(=O)N[C@H]1CCN(C1=O)[*:1]
Cc1ccc(N2CC[C@H](NC(=O)N3CCC([C@H](C)O)CC3)C2=O)cc1 C[C@H](O)[*:1] Cc1ccc(cc1)N1CC[C@H](NC(=O)N2CCC(CC2)[*:1])C1=O
CC1(C)CC(=O)c2cnn(-c3ccccc3)c2C1 c1ccc(cc1)[*:1] CC1(C)CC(=O)c2cnn(c2C1)[*:1]
Cc1cccc(N2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N1CC[NH+](CC1)Cc1nc(C[*:1])no1
Cc1cccc(N2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)c1 Cc1cccc(c1)[*:1] c1ccc(cc1)Cc1noc(C[NH+]2CCN(CC2)[*:1])n1
Cc1cccc(N2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)N1CC[NH+](CC1)Cc1nc(no1)[*:1]
Cc1csc(CN(C)C(=O)c2c(O)cccc2O)n1 Cc1csc(n1)[*:1] CN(C[*:1])C(=O)c1c(O)cccc1O
O=C1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)ccc2N1 C1CN(CCO1)[*:1] O=C1CC(=O)Nc2cc(ccc2N1)S(=O)(=O)Nc1ccc2nc(sc2c1)[*:1]
C[C@H]1CCC[C@@H](C[NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 C[C@H]1CCC[C@@H](C1)[*:1] c1cnnc(c1)N1CCC[C@H](C1)[NH2+]C[*:1]
C[C@H]1CCC[C@@H](C[NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 c1cnnc(c1)[*:1] C[C@H]1CCC[C@@H](C[NH2+][C@@H]2CCCN(C2)[*:1])C1
COC(=O)c1cccc(NCc2cc(Br)cs2)n1 Brc1csc(c1)[*:1] COC(=O)c1cccc(n1)NC[*:1]
COC(=O)c1cccc(NCc2cc(Br)cs2)n1 COC(=O)[*:1] Brc1csc(c1)CNc1cccc(n1)[*:1]
CC(C)Nc1cccc(CNC(=O)[C@@H](C)c2ccsc2)c1 c1cc(cs1)[*:1] CC(C)Nc1cccc(c1)CNC(=O)[C@@H](C)[*:1]
CC(C)Nc1cccc(CNC(=O)[C@@H](C)c2ccsc2)c1 CC(C)[*:1] C[C@H](C(=O)NCc1cccc(c1)N[*:1])c1ccsc1
CC(C)Nc1cccc(CNC(=O)[C@@H](C)c2ccsc2)c1 CC(C)N[*:1] C[C@H](C(=O)NCc1cccc(c1)[*:1])c1ccsc1
COc1ccc(-c2nnc(SC[C@@H](O)c3ccc(C)cc3C)n2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)[C@H](O)CSc1nnc(n1C)[*:1]
COc1ccc(-c2nnc(SC[C@@H](O)c3ccc(C)cc3C)n2C)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)-c1nnc(SC[C@@H](O)[*:1])n1C
O=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)NC[C@@H]2CC=CCC2)C1 FC(F)(F)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)NC[C@@H]1CC=CCC1
O=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)NC[C@@H]2CC=CCC2)C1 FC(F)(F)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)NC[C@@H]1CC=CCC1
O=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)NC[C@@H]2CC=CCC2)C1 O=C(NCC(F)(F)F)[*:1] O=C(NC[C@@H]1CC=CCC1)N1CCC[C@@H](C1)[*:1]
C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1 C1CC1[*:1] C[C@@H](C(=O)N[*:1])[NH+]1CCN(CC1)C(=O)c1ccc2ccccc2c1
C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1 O=C(NC1CC1)[*:1] C[C@@H]([NH+]1CCN(CC1)C(=O)c1ccc2ccccc2c1)[*:1]
CCC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1N1CCOCC1 C1CN(CCO1)[*:1] CCC[NH2+][C@@H]1c2cc(ccc2C[C@H]1[*:1])OC
CCC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1N1CCOCC1 CCC[*:1] COc1ccc2C[C@@H]([C@H]([NH2+][*:1])c2c1)N1CCOCC1
C[C@@H](C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)Nc1cnc2CCN(Cc2c1)C(=O)OC(C)(C)C)[*:1]
C[C@@H](C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)n1cccn1 CC(C)(C)[*:1] C[C@@H](C(=O)Nc1cnc2CCN(Cc2c1)C(=O)O[*:1])n1cccn1
[NH3+]CC1(Cc2nc([C@@H]3CSCCO3)no2)CCCCC1 C1CSC[C@H](O1)[*:1] [NH3+]CC1(CCCCC1)Cc1nc(no1)[*:1]
COc1cc(C[NH3+])c([N+](=O)[O-])cc1O[C@H](C)[C@H](C)O C[C@H](O)[C@@H](C)[*:1] COc1cc(C[NH3+])c(cc1O[*:1])[N+](=O)[O-]
COc1cc(C[NH3+])c([N+](=O)[O-])cc1O[C@H](C)[C@H](C)O C[C@H](O)[C@@H](C)O[*:1] COc1cc(C[NH3+])c(cc1[*:1])[N+](=O)[O-]
COc1cc(C[NH3+])c([N+](=O)[O-])cc1O[C@H](C)[C@H](C)O C[C@H](O)[*:1] COc1cc(C[NH3+])c(cc1O[C@H](C)[*:1])[N+](=O)[O-]
COc1cc(C[NH3+])c([N+](=O)[O-])cc1O[C@H](C)[C@H](C)O O=[N+]([O-])[*:1] COc1cc(C[NH3+])c(cc1O[C@H](C)[C@H](C)O)[*:1]
CN[C@@]1(C(=O)OC)CCC[C@@H]1CCn1cc(Cl)cn1 COC(=O)[*:1] CN[C@]1(CCC[C@@H]1CCn1cc(Cl)cn1)[*:1]
CN[C@@]1(C(=O)OC)CCC[C@@H]1CCn1cc(Cl)cn1 Clc1cnn(c1)[*:1] CN[C@]1(CCC[C@@H]1CC[*:1])C(=O)OC
CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 C[C@@H](C#N)C[*:1] CCN(C(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(C)cc1)[*:1]
CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cn1c(=O)c2c(nc(Cl)n2CC(=O)Nc2ccccc2OC(F)F)n(C)c1=O FC(F)[*:1] Cn1c(=O)c2c(nc(Cl)n2CC(=O)Nc2ccccc2O[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(Cl)n2CC(=O)Nc2ccccc2OC(F)F)n(C)c1=O FC(F)O[*:1] Cn1c(=O)c2c(nc(Cl)n2CC(=O)Nc2ccccc2[*:1])n(C)c1=O
Clc1ccc(-c2c[nH]c([C@H]3CCCN3CCn3cncn3)[nH+]2)cc1 c1ncn(n1)[*:1] Clc1ccc(cc1)-c1c[nH]c([nH+]1)[C@H]1CCCN1CC[*:1]
Clc1ccc(-c2c[nH]c([C@H]3CCCN3CCn3cncn3)[nH+]2)cc1 c1ncn(CC[*:1])n1 Clc1ccc(cc1)-c1c[nH]c([nH+]1)[C@H]1CCCN1[*:1]
Clc1ccc(-c2c[nH]c([C@H]3CCCN3CCn3cncn3)[nH+]2)cc1 Clc1ccc(cc1)[*:1] c1ncn(CCN2CCC[C@@H]2c2[nH]cc([nH+]2)[*:1])n1
Clc1ccc(-c2c[nH]c([C@H]3CCCN3CCn3cncn3)[nH+]2)cc1 c1ncn(C[*:1])n1 Clc1ccc(cc1)-c1c[nH]c([nH+]1)[C@H]1CCCN1C[*:1]
O=C(NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=C([O-])[*:1] O=C(NC(=S)Nc1ccc(Cl)c(c1)[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
O=C(NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=C([O-])c1cc(ccc1Cl)[*:1] O=C(NC(=S)N[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
O=C(NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] O=C(NC(=S)Nc1ccc(Cl)c(c1)C(=O)[O-])c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccc(Cl)c(c1)C(=O)[O-])c1ccc(c(c1)[*:1])N1CCCC1
C[C@H](C(=O)C1=c2ccccc2=[NH+]C1)N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] C[C@H](C(=O)C1C[NH+]=c2ccccc2=1)N1CCN(CC1)[*:1]
C[C@H](C(=O)C1=c2ccccc2=[NH+]C1)N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1[*:1] C[C@H](C(=O)C1C[NH+]=c2ccccc2=1)N1CCN(CC1)C[*:1]
C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(OCc2nccn2C)cc1 Cn1ccnc1[*:1] C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(cc1)OC[*:1]
C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(OCc2nccn2C)cc1 Cn1ccnc1CO[*:1] C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(cc1)[*:1]
C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(OCc2nccn2C)cc1 Cn1ccnc1C[*:1] C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(cc1)O[*:1]
CCc1ccc(CC)c(NC(=O)[C@H](C)OCC2CC2)c1 C1CC1[*:1] CCc1ccc(CC)c(c1)NC(=O)[C@H](C)OC[*:1]
CCc1ccc(CC)c(NC(=O)[C@H](C)OCC2CC2)c1 C1CC1C[*:1] CCc1ccc(CC)c(c1)NC(=O)[C@H](C)O[*:1]
CCc1ccc(CC)c(NC(=O)[C@H](C)OCC2CC2)c1 C1CC1CO[*:1] CCc1ccc(CC)c(c1)NC(=O)[C@H](C)[*:1]
Cc1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)nc1 Cc1ccc(nc1)[*:1] Cc1ccc2oc3C(=O)N([C@H](c4ccc(cc4)[N+](=O)[O-])c3c(=O)c2c1)[*:1]
Cc1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)nc1 O=[N+]([O-])[*:1] Cc1ccc(nc1)N1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(cc1)[*:1]
Cc1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)nc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(nc1)N1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1[*:1]
C=CCOc1ccc(C[NH2+]Cc2csc(C)n2)cc1Cl C=CCO[*:1] Cc1nc(cs1)C[NH2+]Cc1ccc(c(Cl)c1)[*:1]
C=CCOc1ccc(C[NH2+]Cc2csc(C)n2)cc1Cl Cc1nc(cs1)[*:1] C=CCOc1ccc(cc1Cl)C[NH2+]C[*:1]
C=CCOc1ccc(C[NH2+]Cc2csc(C)n2)cc1Cl C=CC[*:1] Cc1nc(cs1)C[NH2+]Cc1ccc(O[*:1])c(Cl)c1
C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl ClC(Cl)=C(Cl)C[*:1] C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O[*:1]
C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl ClC(Cl)=C(Cl)[*:1] C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC[*:1]
C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl C=CC[*:1] O=C(OCC(Cl)=C(Cl)Cl)[C@H]1CC=CC[C@H]1C(=O)N[*:1]
C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl C=CCNC(=O)[*:1] O=C(OCC(Cl)=C(Cl)Cl)[C@H]1CC=CC[C@H]1[*:1]
C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccco2)c1 c1coc(c1)[*:1] C#Cc1cccc(c1)N(C[*:1])C(=O)c1ccco1
C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccco2)c1 c1coc(c1)[*:1] C#Cc1cccc(c1)N(Cc1ccco1)C(=O)[*:1]
C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccco2)c1 c1coc(c1)C[*:1] C#Cc1cccc(c1)N(C(=O)c1ccco1)[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N(CCC#N)Cc1ccccc1)OC2=O N#CC[*:1] CC1(C)[C@]2(C)CC[C@]1(OC2=O)C(=O)N(Cc1ccccc1)C[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N(CCC#N)Cc1ccccc1)OC2=O c1ccc(cc1)C[*:1] CC1(C)[C@]2(C)CC[C@]1(OC2=O)C(=O)N(CCC#N)[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N(CCC#N)Cc1ccccc1)OC2=O c1ccc(cc1)[*:1] CC1(C)[C@]2(C)CC[C@]1(OC2=O)C(=O)N(CCC#N)C[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N(CCC#N)Cc1ccccc1)OC2=O N#CCC[*:1] CC1(C)[C@]2(C)CC[C@]1(OC2=O)C(=O)N(Cc1ccccc1)[*:1]
O=C1CS[C@@]2(CCS(=O)(=O)C2)N1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1CS[C@@]2(CCS(=O)(=O)C2)N1CC[*:1]
CCN(C(=O)c1nc(C2CC2)n2ccccc12)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)c1nc(C2CC2)n2ccccc12)[*:1]
CCN(C(=O)c1nc(C2CC2)n2ccccc12)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] CCN(C(=O)c1nc(n2ccccc12)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C([O-])C1CCC(CNc2nncs2)CC1 O=C([O-])[*:1] c1nnc(NCC2CCC(CC2)[*:1])s1
O=C([O-])C1CCC(CNc2nncs2)CC1 c1nnc(s1)[*:1] O=C([O-])C1CCC(CC1)CN[*:1]
CCCCN(CC)C(=O)CNC(=O)c1ccc2c(c1)OCO2 CCCC[*:1] CCN(C(=O)CNC(=O)c1ccc2OCOc2c1)[*:1]
CCCCN(CC)C(=O)CNC(=O)c1ccc2c(c1)OCO2 CCC[*:1] CCN(C[*:1])C(=O)CNC(=O)c1ccc2OCOc2c1
O=C(Cc1cn(Cc2ccccc2)c2ccccc12)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(Cc1cn(Cc2ccccc2)c2ccccc12)N1CCN(CC1)[*:1]
O=C(Cc1cn(Cc2ccccc2)c2ccccc12)N1CCN(c2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(Cc1cn(C[*:1])c2ccccc12)N1CCN(CC1)c1ccccc1F
O=C(Cc1cn(Cc2ccccc2)c2ccccc12)N1CCN(c2ccccc2F)CC1 c1ccc(cc1)C[*:1] O=C(Cc1cn(c2ccccc12)[*:1])N1CCN(CC1)c1ccccc1F
C[C@@H]1[NH2+]CC[C@@H]1c1nc(C(C)(C)c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H]1[NH2+]CC[C@@H]1c1nc(no1)C(C)(C)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 Clc1ccc(cc1)[*:1] O=S(=O)(N1CCC[C@H](C1)c1nnc(o1)-c1ccc2OCOc2c1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 c1cc2OCOc2cc1[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H](C1)c1nnc(o1)[*:1]
CC1(C)CCN(c2[nH+]c3c(cc2C(=O)[O-])CCC3)C1 O=C([O-])[*:1] CC1(C)CCN(C1)c1[nH+]c2CCCc2cc1[*:1]
COc1ccc([C@H](CNC(=O)C#Cc2ccccc2)[NH+](C)C)cc1 C(#C[*:1])c1ccccc1 COc1ccc(cc1)[C@H](CNC(=O)[*:1])[NH+](C)C
COc1ccc([C@H](CNC(=O)C#Cc2ccccc2)[NH+](C)C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)C#C[*:1])[NH+](C)C
COc1ccc([C@H](CNC(=O)C#Cc2ccccc2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)C#Cc1ccccc1)[*:1]
CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2CCCC2)C1 CS(=O)(=O)N[*:1] O=C(C1CCCC1)N1CCC[C@H](C1)[*:1]
CS(=O)(=O)N[C@@H]1CCCN(C(=O)C2CCCC2)C1 C1CCC(C1)[*:1] CS(=O)(=O)N[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cccc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)c1 O=C(NC1CCCC1)[*:1] Cc1cccc(c1)-n1c(N)c(c2nc3ccccc3nc21)[*:1]
Cc1cccc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)c1 Cc1cccc(c1)[*:1] Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1[*:1]
Cc1cccc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)c1 C1CCC(C1)[*:1] Cc1cccc(c1)-n1c(N)c(C(=O)N[*:1])c2nc3ccccc3nc21
C[C@H](O)c1csc(NC(=O)C[C@@H]2CCCCO2)n1 C1CC[C@H](OC1)[*:1] C[C@H](O)c1csc(n1)NC(=O)C[*:1]
C[C@H](O)c1csc(NC(=O)C[C@@H]2CCCCO2)n1 C[C@H](O)[*:1] O=C(C[C@@H]1CCCCO1)Nc1nc(cs1)[*:1]
CC[C@H](Oc1ccccc1N)C(=O)c1ccc(C)cc1C Nc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)c1ccc(C)cc1C
Cc1cc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)no1 FC(F)O[*:1] Cc1cc(no1)C(=O)Nc1nc(-c2ccc(cc2)[*:1])c(C)s1
Cc1cc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)no1 Cc1cc(no1)[*:1] Cc1sc(nc1-c1ccc(cc1)OC(F)F)NC(=O)[*:1]
Cc1cc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)no1 FC(F)[*:1] Cc1cc(no1)C(=O)Nc1nc(-c2ccc(cc2)O[*:1])c(C)s1
COC(=O)C[C@H]1CCCCN1c1ccc2nnc(C(F)F)n2n1 FC(F)[*:1] COC(=O)C[C@H]1CCCCN1c1ccc2nnc(n2n1)[*:1]
COC(=O)C[C@H]1CCCCN1c1ccc2nnc(C(F)F)n2n1 COC(=O)[*:1] FC(F)c1nnc2ccc(nn12)N1CCCC[C@@H]1C[*:1]
COC(=O)C[C@H]1CCCCN1c1ccc2nnc(C(F)F)n2n1 COC(=O)C[*:1] FC(F)c1nnc2ccc(nn12)N1CCCC[C@@H]1[*:1]
CC[C@H](CO)NC(=O)C(=O)Nc1c(C)cc(C)cc1C CC[C@H](CO)[*:1] Cc1cc(C)c(NC(=O)C(=O)N[*:1])c(C)c1
CCOC(=O)c1cnc(-c2cccnc2)nc1Cl c1cncc(c1)[*:1] CCOC(=O)c1cnc(nc1Cl)[*:1]
CCOC(=O)c1cnc(-c2cccnc2)nc1Cl CCOC(=O)[*:1] Clc1nc(ncc1[*:1])-c1cccnc1
Cc1nnc(NNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)nc1[O-] c1ccc(cc1)[*:1] Cc1nnc(nc1[O-])NNC(=O)c1cccc2c(=O)c(C)c(oc12)[*:1]
C[C@@H](c1cccc(-c2nccn2CCc2cn[nH]c2)c1)[NH+](C)C c1n[nH]cc1CC[*:1] C[C@@H](c1cccc(c1)-c1nccn1[*:1])[NH+](C)C
C[C@@H](c1cccc(-c2nccn2CCc2cn[nH]c2)c1)[NH+](C)C c1n[nH]cc1[*:1] C[C@@H](c1cccc(c1)-c1nccn1CC[*:1])[NH+](C)C
C[C@@H](c1cccc(-c2nccn2CCc2cn[nH]c2)c1)[NH+](C)C c1n[nH]cc1C[*:1] C[C@@H](c1cccc(c1)-c1nccn1C[*:1])[NH+](C)C
CC(C)COC[C@H](C)[NH2+][C@@H]1CCOc2ccc(F)cc21 CC(C)[*:1] C[C@@H](COC[*:1])[NH2+][C@@H]1CCOc2ccc(F)cc21
CC(C)COC[C@H](C)[NH2+][C@@H]1CCOc2ccc(F)cc21 CC(C)CO[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCOc2ccc(F)cc21
CC(C)COC[C@H](C)[NH2+][C@@H]1CCOc2ccc(F)cc21 CC(C)C[*:1] C[C@@H](CO[*:1])[NH2+][C@@H]1CCOc2ccc(F)cc21
CC(C)COC[C@H](C)[NH2+][C@@H]1CCOc2ccc(F)cc21 CC(C)COC[*:1] C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)[*:1]
Cc1cn(C)c(CC(=O)NCC[NH+]2CCC(C)CC2)c1C(=O)[O-] O=C([O-])[*:1] Cc1cn(C)c(CC(=O)NCC[NH+]2CCC(C)CC2)c1[*:1]
COc1cccc([C@@H](c2sc3ncnn3c2O)N2CCN(c3ccccc3F)CC2)c1 Fc1ccccc1[*:1] COc1cccc(c1)[C@@H](c1sc2ncnn2c1O)N1CCN(CC1)[*:1]
COc1cccc([C@@H](c2sc3ncnn3c2O)N2CCN(c3ccccc3F)CC2)c1 COc1cccc(c1)[*:1] Oc1c(sc2ncnn12)[C@@H](N1CCN(CC1)c1ccccc1F)[*:1]
Cc1csc2nc(Cn3c(=O)c(C#N)cn(C4CC4)c3=O)cc(=O)n12 C1CC1[*:1] Cc1csc2nc(cc(=O)n12)Cn1c(=O)c(C#N)cn(c1=O)[*:1]
N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1cc(ccc1Cl)[*:1]
N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl Brc1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]
Cc1n[nH]c2cc(NC(=O)CCNC(=O)OCC(F)(F)F)ccc12 FC(F)(F)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)CCNC(=O)OC[*:1]
Cc1n[nH]c2cc(NC(=O)CCNC(=O)OCC(F)(F)F)ccc12 FC(F)(F)C[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)CCNC(=O)O[*:1]
CN(C)c1ccc(NC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c[nH+]1 Clc1cccc(c1)[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N1CCN(CC1)C[*:1]
CN(C)c1ccc(NC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c[nH+]1 Clc1cccc(c1)C[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N1CCN(CC1)[*:1]
CN(C)c1ccc(NC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c[nH+]1 CN(C)[*:1] O=C(Nc1ccc([nH+]c1)[*:1])N1CCN(CC1)Cc1cccc(Cl)c1
C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NC[*:1]
C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NCc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N[*:1]
CC(C)c1ccccc1NC(=O)Cn1cnc2ccccc21 CC(C)[*:1] O=C(Cn1cnc2ccccc21)Nc1ccccc1[*:1]
CN(C(=O)/C=C/c1ccc2ccccc2n1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)/C=C/c1ccc2ccccc2n1)[*:1]
O=C(c1ccc(Br)nc1)N1CCC[C@H]1c1cccnc1 c1cncc(c1)[*:1] O=C(c1ccc(Br)nc1)N1CCC[C@@H]1[*:1]
O=C(CCc1cc([O-])no1)N1CCC[C@H](OCc2cccnc2)C1 c1cncc(c1)[*:1] O=C(CCc1cc([O-])no1)N1CCC[C@@H](C1)OC[*:1]
O=C(CCc1cc([O-])no1)N1CCC[C@H](OCc2cccnc2)C1 c1cncc(c1)C[*:1] O=C(CCc1cc([O-])no1)N1CCC[C@@H](C1)O[*:1]
O=C(CCc1cc([O-])no1)N1CCC[C@H](OCc2cccnc2)C1 c1cncc(c1)CO[*:1] O=C(CCc1cc([O-])no1)N1CCC[C@H](C1)[*:1]
C[C@H](Cc1nc2ccccc2s1)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] C[C@H](Cc1nc2ccccc2s1)N1CC[NH+](CC1)[*:1]
Cc1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1I O=[N+]([O-])[*:1] Cc1ccc(cc1I)NC(=O)[C@H]1C[C@@H]1[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c1C CC(C)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C2)NC(=O)[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)N2CCC[C@H](C2)NC(=O)C(C)C)c(C)c1[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c1C CC(C)C(=O)N[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C2)[*:1])c1C
CC1CCN(C(=O)c2ccccc2NCC(=O)N[C@H](C)C(C)C)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)c1ccccc1NCC(=O)N[C@H](C)[*:1]
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] O=C(Cc1csc(n1)-c1ccc(Cl)s1)NC[*:1]
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCc1nnc2n1CCC2 Clc1ccc(s1)[*:1] O=C(Cc1csc(n1)[*:1])NCc1nnc2CCCn21
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)c(OC)c1 CC(C)[*:1] COc1ccc(C(=O)C[C@@]2(O)C(=O)N(c3ccccc32)[*:1])c(c1)OC
COc1ccccc1C(=O)Nc1ccc(S(C)(=O)=O)cc1C CS(=O)(=O)[*:1] COc1ccccc1C(=O)Nc1ccc(cc1C)[*:1]
CC1(C)C(=O)NC(=S)N2C(=O)C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)N21 FC(F)(F)[*:1] CC1(C)C(=O)NC(=S)N2C(=O)C[C@H](C(=O)Nc3cccc(c3)[*:1])N21
C[NH+](CC(=O)c1cc(F)ccc1O)CC(C)(C)O CC(C)(O)C[*:1] C[NH+](CC(=O)c1cc(F)ccc1O)[*:1]
C[NH+](CC(=O)c1cc(F)ccc1O)CC(C)(C)O CC(C)(O)[*:1] C[NH+](CC(=O)c1cc(F)ccc1O)C[*:1]
Cc1cc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c(C)s1 c1c[nH]c(c1)[*:1] Cc1cc(C(=O)N2CCC[C@H]2[*:1])c(C)s1
CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1cccs1 c1csc(c1)[*:1] CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)[*:1]
CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1cccs1 CC[C@H](C)[*:1] C[C@H](Oc1ccccc1[*:1])C(=O)NNC(=O)c1cccs1
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)CC2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)Cn1c(nc2ccccc21)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)N1CCN(CC1)S(=O)(=O)[*:1]
CCCN(CCC)C(=O)c1nnn(-c2nc(-c3ccccc3)cs2)c1C c1ccc(cc1)[*:1] CCCN(CCC)C(=O)c1nnn(-c2nc(cs2)[*:1])c1C
CCCN(CCC)C(=O)c1nnn(-c2nc(-c3ccccc3)cs2)c1C CCC[*:1] CCCN(C(=O)c1nnn(-c2nc(cs2)-c2ccccc2)c1C)[*:1]
CC(C)(C)n1cc(C(=O)O[C@H](c2ccccc2)c2nccs2)cn1 CC(C)(C)[*:1] O=C(O[C@H](c1ccccc1)c1nccs1)c1cnn(c1)[*:1]
CC(C)(C)n1cc(C(=O)O[C@H](c2ccccc2)c2nccs2)cn1 c1ccc(cc1)[*:1] CC(C)(C)n1cc(cn1)C(=O)O[C@H](c1nccs1)[*:1]
CC(C)(C)n1cc(C(=O)O[C@H](c2ccccc2)c2nccs2)cn1 c1csc(n1)[*:1] CC(C)(C)n1cc(cn1)C(=O)O[C@H](c1ccccc1)[*:1]
O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3cccnc3)CCN12 c1cncc(c1)[*:1] O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(CCN12)C[*:1]
O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3cccnc3)CCN12 Fc1ccc(cc1)[*:1] O=C1N(C[C@H]2CN(CCN12)Cc1cccnc1)C[*:1]
O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3cccnc3)CCN12 Fc1ccc(cc1)C[*:1] O=C1N2CCN(Cc3cccnc3)C[C@@H]2CN1[*:1]
O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3cccnc3)CCN12 c1cncc(c1)C[*:1] O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(CCN12)[*:1]
CO[C@@H](CNC(=O)c1cnc(Nc2ccccc2)nc1)c1cccs1 c1ccc(cc1)N[*:1] CO[C@@H](CNC(=O)c1cnc(nc1)[*:1])c1cccs1
CO[C@@H](CNC(=O)c1cnc(Nc2ccccc2)nc1)c1cccs1 c1csc(c1)[*:1] CO[C@@H](CNC(=O)c1cnc(nc1)Nc1ccccc1)[*:1]
CO[C@@H](CNC(=O)c1cnc(Nc2ccccc2)nc1)c1cccs1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)c1cnc(nc1)N[*:1])c1cccs1
C[C@H](Cc1cccs1)C(=O)NCCN1C(=O)CCCC1=O c1csc(c1)[*:1] C[C@H](C[*:1])C(=O)NCCN1C(=O)CCCC1=O
C[C@H](Cc1cccs1)C(=O)NCCN1C(=O)CCCC1=O c1csc(c1)C[*:1] C[C@H](C(=O)NCCN1C(=O)CCCC1=O)[*:1]
Cc1c(C(=O)COC(=O)c2ccccc2S(C)(=O)=O)oc2ccccc12 CS(=O)(=O)[*:1] Cc1c(oc2ccccc12)C(=O)COC(=O)c1ccccc1[*:1]
O=C([O-])/C(=C/c1ccsc1)c1ccccc1 O=C([O-])[*:1] C(=C(c1ccccc1)[*:1])c1ccsc1
O=C([O-])/C(=C/c1ccsc1)c1ccccc1 c1cc(cs1)[*:1] O=C([O-])C(=C[*:1])c1ccccc1
COC(=O)c1ccccc1NC(=O)c1nn(C)cc1Cl COC(=O)[*:1] Cn1cc(Cl)c(n1)C(=O)Nc1ccccc1[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1 CCc1nc(no1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(C1)S(=O)(=O)c1cc(cs1)[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1 Fc1ccc(cc1Cl)[*:1] CCc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
C[C@@H]1[C@@H](c2ccccc2)OCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C c1ccc(cc1)[*:1] C[C@@H]1[C@@H](OCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C)[*:1]
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)COC[*:1] C[C@H]1CN(CCN1C(=O)NC[*:1])Cc1ccccc1
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCCOC[C@@H]1CCCO1 c1ccc(cc1)C[*:1] C[C@H]1CN(CCN1C(=O)NCCOC[C@@H]1CCCO1)[*:1]
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] C[C@H]1CN(CCN1C(=O)NCC[*:1])Cc1ccccc1
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCCOC[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@H]1CN(CCN1C(=O)NCCOC[C@@H]1CCCO1)C[*:1]
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H]1CN(CCN1C(=O)NCCOC[*:1])Cc1ccccc1
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@H]1CN(CCN1C(=O)NCCO[*:1])Cc1ccccc1
C[C@]1(CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)CCCO1 O=C([O-])[*:1] C[C@@]1(CCCO1)CNC(=O)N[C@H](C1CCCCC1)[*:1]
C[C@]1(CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)CCCO1 C1CCC(CC1)[*:1] C[C@@]1(CCCO1)CNC(=O)N[C@H](C(=O)[O-])[*:1]
C[C@]1(CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)CCCO1 C[C@@]1(CCCO1)C[*:1] O=C(N[C@H](C(=O)[O-])C1CCCCC1)N[*:1]
C[C@]1(CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)CCCO1 C[C@@]1(CCCO1)[*:1] O=C(NC[*:1])N[C@H](C(=O)[O-])C1CCCCC1
CN1CCO[C@H](CN(CCC(N)=S)c2ccccc2)C1 NC(=S)[*:1] CN1CCO[C@@H](C1)CN(CC[*:1])c1ccccc1
CN1CCO[C@H](CN(CCC(N)=S)c2ccccc2)C1 NC(=S)C[*:1] CN1CCO[C@@H](C1)CN(C[*:1])c1ccccc1
CN1CCO[C@H](CN(CCC(N)=S)c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCO[C@@H](C1)CN(CCC(N)=S)[*:1]
CN1CCO[C@H](CN(CCC(N)=S)c2ccccc2)C1 NC(=S)CC[*:1] CN1CCO[C@@H](C1)CN(c1ccccc1)[*:1]
O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1[N+](=O)[O-] O=C(N1CCCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1[N+](=O)[O-]
O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)C(=O)N1CCCCC1)c1ccccc1[*:1]
CCCn1nc(C)c(C(=O)Oc2ccc(C(=O)NC3CC3)cc2)c1C O=C(NC1CC1)[*:1] CCCn1nc(C)c(C(=O)Oc2ccc(cc2)[*:1])c1C
CCCn1nc(C)c(C(=O)Oc2ccc(C(=O)NC3CC3)cc2)c1C CCC[*:1] Cc1nn(c(C)c1C(=O)Oc1ccc(cc1)C(=O)NC1CC1)[*:1]
CCCn1nc(C)c(C(=O)Oc2ccc(C(=O)NC3CC3)cc2)c1C C1CC1[*:1] CCCn1nc(C)c(C(=O)Oc2ccc(cc2)C(=O)N[*:1])c1C
NC(=O)Nc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1 NC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2[nH]ccc2c1
Cc1cnc(-c2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2)o1 Cc1cnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2OCCOc2c1
Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cn(nc1NC(=O)c1cnn(c1)[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1cnn(C(C)(C)C)c1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)c1cnn(c1)C(C)(C)C)[*:1]
CC(C)Cc1ccc([C@@H]2CC[NH2+][C@H]2C(=O)[O-])cc1 CC(C)C[*:1] O=C([O-])[C@@H]1[NH2+]CC[C@H]1c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H]2CC[NH2+][C@H]2C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)Cc1ccc(cc1)[C@@H]1CC[NH2+][C@@H]1[*:1]
CC(C)Cc1ccc([C@@H]2CC[NH2+][C@H]2C(=O)[O-])cc1 CC(C)[*:1] O=C([O-])[C@@H]1[NH2+]CC[C@H]1c1ccc(cc1)C[*:1]
CC(C)C[C@@H](C[C@@H]1CCCCO1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H](C[C@@H]1CCCCO1)C[*:1]
CC(C)C[C@@H](C[C@@H]1CCCCO1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](C[C@@H]1CCCCO1)[*:1]
CC(C)C[C@@H](C[C@@H]1CCCCO1)C(=O)[O-] CC(C)C[*:1] O=C([O-])[C@H](C[C@@H]1CCCCO1)[*:1]
O=C(/C=C/c1ccccn1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 c1ccc(nc1)[*:1] O=C(C=C[*:1])Nc1nc(cs1)-c1ccc2OCCc2c1
O=C(/C=C/c1ccccn1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 C(=C[*:1])c1ccccn1 O=C(Nc1nc(cs1)-c1ccc2OCCc2c1)[*:1]
O=C1CN(C(=O)c2cnn3cccnc23)C[C@H](OCc2cccnc2)CN1CC1CCOCC1 c1cnc2c(cnn2c1)[*:1] O=C1CN(C[C@@H](CN1CC1CCOCC1)OCc1cccnc1)C(=O)[*:1]
O=C1CN(C(=O)c2cnn3cccnc23)C[C@H](OCc2cccnc2)CN1CC1CCOCC1 c1cncc(c1)CO[*:1] O=C1CN(C[C@H](CN1CC1CCOCC1)[*:1])C(=O)c1cnn2cccnc12
O=C1CN(C(=O)c2cnn3cccnc23)C[C@H](OCc2cccnc2)CN1CC1CCOCC1 C1CC(CCO1)[*:1] O=C1CN(C[C@@H](CN1C[*:1])OCc1cccnc1)C(=O)c1cnn2cccnc12
O=C1CN(C(=O)c2cnn3cccnc23)C[C@H](OCc2cccnc2)CN1CC1CCOCC1 c1cncc(c1)C[*:1] O=C1CN(C[C@@H](CN1CC1CCOCC1)O[*:1])C(=O)c1cnn2cccnc12
O=C1CN(C(=O)c2cnn3cccnc23)C[C@H](OCc2cccnc2)CN1CC1CCOCC1 C1CC(CCO1)C[*:1] O=C(c1cnn2cccnc12)N1CC(=O)N(C[C@H](C1)OCc1cccnc1)[*:1]
O=C1CN(C(=O)c2cnn3cccnc23)C[C@H](OCc2cccnc2)CN1CC1CCOCC1 c1cncc(c1)[*:1] O=C1CN(C[C@@H](CN1CC1CCOCC1)OC[*:1])C(=O)c1cnn2cccnc12
CCCc1cc(C(=O)NCc2c(CC)nn(C)c2OC)[nH]n1 CCC[*:1] CCc1nn(C)c(OC)c1CNC(=O)c1cc(n[nH]1)[*:1]
Cc1cc(OC(=O)[C@@H](C)Sc2nncn2C)cc(C(C)C)c1 Cn1cnnc1[*:1] Cc1cc(cc(c1)C(C)C)OC(=O)[C@@H](C)S[*:1]
Cc1cc(OC(=O)[C@@H](C)Sc2nncn2C)cc(C(C)C)c1 Cn1cnnc1S[*:1] Cc1cc(cc(c1)C(C)C)OC(=O)[C@@H](C)[*:1]
Cc1cc(OC(=O)[C@@H](C)Sc2nncn2C)cc(C(C)C)c1 CC(C)[*:1] Cc1cc(cc(c1)[*:1])OC(=O)[C@@H](C)Sc1nncn1C
Cn1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)n1 Cn1ccc(n1)[*:1] O=C(Nc1nc2ccc(Cl)cc2s1)[*:1]
COCCn1cnnc1S[C@@H](C)C(=O)Nc1cc(F)ccc1C COC[*:1] Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1nncn1C[*:1]
COCCn1cnnc1S[C@@H](C)C(=O)Nc1cc(F)ccc1C COCC[*:1] Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1nncn1[*:1]
O=C(NCCn1cccc1)c1c[nH]nc1-c1ccccc1Cl c1ccn(c1)[*:1] O=C(NCC[*:1])c1c[nH]nc1-c1ccccc1Cl
O=C(NCCn1cccc1)c1c[nH]nc1-c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCCn1cccc1)c1c[nH]nc1[*:1]
O=C(NCCn1cccc1)c1c[nH]nc1-c1ccccc1Cl c1ccn(c1)CC[*:1] O=C(N[*:1])c1c[nH]nc1-c1ccccc1Cl
O=C(NCCn1cccc1)c1c[nH]nc1-c1ccccc1Cl c1ccn(c1)C[*:1] O=C(NC[*:1])c1c[nH]nc1-c1ccccc1Cl
COC(=O)c1cccc(NCc2noc(-c3ccoc3)n2)c1 c1cc(co1)[*:1] COC(=O)c1cccc(c1)NCc1noc(n1)[*:1]
COC(=O)c1cccc(NCc2noc(-c3ccoc3)n2)c1 COC(=O)[*:1] c1cc(cc(c1)[*:1])NCc1noc(n1)-c1ccoc1
CC(C)(O)[C@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1 CC(C)(O)[*:1] C[C@@]1(O)CCC[C@]2(C)CC[C@@H](C[C@@H]12)[*:1]
CCSc1nnc(N)n1CC(=O)Nc1ccc(OC)c(OC)c1 CCS[*:1] COc1ccc(cc1OC)NC(=O)Cn1c(N)nnc1[*:1]
O=S(=O)(c1ccccc1)c1nc(NC2CCCC2)sc1Cl C1CCC(C1)N[*:1] O=S(=O)(c1ccccc1)c1nc(sc1Cl)[*:1]
O=S(=O)(c1ccccc1)c1nc(NC2CCCC2)sc1Cl c1ccc(cc1)[*:1] O=S(=O)(c1nc(NC2CCCC2)sc1Cl)[*:1]
O=S(=O)(c1ccccc1)c1nc(NC2CCCC2)sc1Cl C1CCC(C1)[*:1] O=S(=O)(c1ccccc1)c1nc(N[*:1])sc1Cl
O=C1CN(c2nc(C(F)F)nc3ccccc23)CCN1 FC(F)[*:1] O=C1CN(CCN1)c1nc(nc2ccccc12)[*:1]
Cc1cc(C)nc(N[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C(C)C)n1 Cc1cc(C)nc(n1)N[*:1] CC(C)[C@@H](C(=O)Nc1cccc(c1)-n1cccn1)[*:1]
Cc1cc(C)nc(N[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C(C)C)n1 CC(C)[*:1] Cc1cc(C)nc(n1)N[C@H](C(=O)Nc1cccc(c1)-n1cccn1)[*:1]
Cc1cc(C)nc(N[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C(C)C)n1 Cc1cc(C)nc(n1)[*:1] CC(C)[C@H](N[*:1])C(=O)Nc1cccc(c1)-n1cccn1
Cc1cc(C)nc(N[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C(C)C)n1 c1cnn(c1)[*:1] Cc1cc(C)nc(n1)N[C@H](C(=O)Nc1cccc(c1)[*:1])C(C)C
CC1CCN(C(=O)c2ccc(NCc3ccco3)nc2)CC1 c1coc(c1)C[*:1] CC1CCN(CC1)C(=O)c1ccc(nc1)N[*:1]
CC1CCN(C(=O)c2ccc(NCc3ccco3)nc2)CC1 c1coc(c1)CN[*:1] CC1CCN(CC1)C(=O)c1ccc(nc1)[*:1]
CC1CCN(C(=O)c2ccc(NCc3ccco3)nc2)CC1 c1coc(c1)[*:1] CC1CCN(CC1)C(=O)c1ccc(nc1)NC[*:1]
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNc1cccc(F)c1F O=[N+]([O-])[*:1] O=C(CNC(=O)c1cccc(c1)[*:1])NNc1cccc(F)c1F
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNc1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(CNC(=O)c1cccc(c1)[N+](=O)[O-])NN[*:1]
Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)c1ccccn1)CC3 c1ccc(nc1)[*:1] Cc1cc2c(=O)n3CCN(CCc3nc2s1)C(=O)[*:1]
Cc1nc(N)sc1C(=O)N[C@H](C)CCCO OCCC[*:1] Cc1nc(N)sc1C(=O)N[C@H](C)[*:1]
Cc1nc(N)sc1C(=O)N[C@H](C)CCCO OCC[*:1] Cc1nc(N)sc1C(=O)N[C@H](C)C[*:1]
O=C(CCc1cccs1)NCc1ccnc(-n2cccn2)c1 c1csc(c1)CC[*:1] O=C(NCc1ccnc(c1)-n1cccn1)[*:1]
O=C(CCc1cccs1)NCc1ccnc(-n2cccn2)c1 c1cnn(c1)[*:1] O=C(CCc1cccs1)NCc1ccnc(c1)[*:1]
O=C(CCc1cccs1)NCc1ccnc(-n2cccn2)c1 c1csc(c1)C[*:1] O=C(C[*:1])NCc1ccnc(c1)-n1cccn1
O=C(CCc1cccs1)NCc1ccnc(-n2cccn2)c1 c1csc(c1)[*:1] O=C(CC[*:1])NCc1ccnc(c1)-n1cccn1
COc1ccc(NC(=O)c2nnn(-c3ccc(OC)c(Cl)c3)c2C)c(OC)c1 COc1ccc(cc1Cl)[*:1] COc1ccc(NC(=O)c2nnn(c2C)[*:1])c(c1)OC
COc1cccc(C(=O)Cl)c1C(C)C O=C(Cl)[*:1] COc1cccc(c1C(C)C)[*:1]
COc1cccc(C(=O)Cl)c1C(C)C CC(C)[*:1] COc1cccc(C(=O)Cl)c1[*:1]
O=[N+]([O-])C1c2ccccc2Cc2ccccc21 O=[N+]([O-])[*:1] c1ccc2c(c1)Cc1ccccc1C2[*:1]
CCOc1ccccc1NC(=O)C[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n21 CCOc1ccccc1[*:1] CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N[*:1]
CCOc1ccccc1NC(=O)C[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n21 CCO[*:1] CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)C[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n21 CC(C)(C)[*:1] CCOc1ccccc1NC(=O)C[C@@H]1CSc2nc(cc(=O)n21)[*:1]
CC(C)/N=C(\O)CN1CCN(C(=O)c2ccc3ccccc3n2)CC1 CC(C)[*:1] O=C(c1ccc2ccccc2n1)N1CCN(CC1)CC(O)=N[*:1]
CC(C)/N=C(\O)CN1CCN(C(=O)c2ccc3ccccc3n2)CC1 CC(C)/N=C(\O)[*:1] O=C(c1ccc2ccccc2n1)N1CCN(CC1)C[*:1]
CC(C)/N=C(\O)CN1CCN(C(=O)c2ccc3ccccc3n2)CC1 CC(C)/N=C(\O)C[*:1] O=C(c1ccc2ccccc2n1)N1CCN(CC1)[*:1]
CCc1cc2c(s1)SCC(=O)N2CC(=O)NCc1ccccc1OC COc1ccccc1[*:1] CCc1cc2c(SCC(=O)N2CC(=O)NC[*:1])s1
CCCCC1CCC(C(=O)NC2CC2)CC1 CCCC[*:1] O=C(NC1CC1)C1CCC(CC1)[*:1]
CCCCC1CCC(C(=O)NC2CC2)CC1 CCC[*:1] O=C(NC1CC1)C1CCC(CC1)C[*:1]
CCCCC1CCC(C(=O)NC2CC2)CC1 C1CC1[*:1] CCCCC1CCC(CC1)C(=O)N[*:1]
Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)nc3ccccc32)cc1 NC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nc2ccccc21)S[C@H](C)C(=O)N[*:1]
Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)nc3ccccc32)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nc2ccccc2n1[*:1])C(=O)Nc1ccc(cc1)C(N)=O
Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)nc3ccccc32)cc1 NC(=O)[*:1] Cc1ccc(cc1)-n1c(nc2ccccc21)S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CC(C)C1CCN(C(=O)CC2(O)CCCCC2)CC1 CC(C)[*:1] O=C(CC1(O)CCCCC1)N1CCC(CC1)[*:1]
CCC[C@@H]([NH3+])C(=O)Nc1cc(CC)ccc1O CCC[*:1] CCc1ccc(O)c(c1)NC(=O)[C@H]([NH3+])[*:1]
CC(C)(C)c1ccc(OCCNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1 CC(C)(C)[*:1] O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCOc1ccc(cc1)[*:1]
COCCNC(=O)c1ccc2c(c1)OCO2 COC[*:1] O=C(NC[*:1])c1ccc2OCOc2c1
COCCNC(=O)c1ccc2c(c1)OCO2 COCC[*:1] O=C(N[*:1])c1ccc2OCOc2c1
Cc1ccccc1-c1cc(NC(=O)c2csc([N+](=O)[O-])c2)n(C)n1 Cc1ccccc1[*:1] Cn1nc(cc1NC(=O)c1csc(c1)[N+](=O)[O-])[*:1]
Cc1ccccc1-c1cc(NC(=O)c2csc([N+](=O)[O-])c2)n(C)n1 O=[N+]([O-])c1cc(cs1)[*:1] Cc1ccccc1-c1cc(NC(=O)[*:1])n(C)n1
Cc1ccccc1-c1cc(NC(=O)c2csc([N+](=O)[O-])c2)n(C)n1 O=[N+]([O-])[*:1] Cc1ccccc1-c1cc(NC(=O)c2csc(c2)[*:1])n(C)n1
CC(C)C(=O)Nc1ccc(C2(C(=O)N(C)C)CCCCC2)cc1 CC(C)C(=O)N[*:1] CN(C)C(=O)C1(CCCCC1)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C2(C(=O)N(C)C)CCCCC2)cc1 CC(C)[*:1] CN(C)C(=O)C1(CCCCC1)c1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(C2(C(=O)N(C)C)CCCCC2)cc1 CN(C)C(=O)[*:1] CC(C)C(=O)Nc1ccc(cc1)C1(CCCCC1)[*:1]
Clc1cccc(Cl)c1-c1cnc(C[NH2+]Cc2cccs2)s1 c1csc(c1)C[*:1] Clc1cccc(Cl)c1-c1cnc(C[NH2+][*:1])s1
Clc1cccc(Cl)c1-c1cnc(C[NH2+]Cc2cccs2)s1 c1csc(c1)[*:1] Clc1cccc(Cl)c1-c1cnc(C[NH2+]C[*:1])s1
CNC(=O)c1cccc2[nH]cc(CN3CCSCC3)c12 C1CN(CCS1)[*:1] CNC(=O)c1cccc2[nH]cc(C[*:1])c12
CNC(=O)c1cccc2[nH]cc(CN3CCSCC3)c12 CNC(=O)[*:1] c1cc(c2c(c[nH]c2c1)CN1CCSCC1)[*:1]
Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)NC[*:1])C1=O
CCOc1cc(F)ccc1N[C@@H](C)C(=O)NC(=O)Nc1ccccc1F Fc1ccccc1[*:1] CCOc1cc(F)ccc1N[C@@H](C)C(=O)NC(=O)N[*:1]
CCOc1cc(F)ccc1N[C@@H](C)C(=O)NC(=O)Nc1ccccc1F CCO[*:1] C[C@H](Nc1ccc(F)cc1[*:1])C(=O)NC(=O)Nc1ccccc1F
O=C(N[C@@H](CO)Cc1ccccc1)c1nc(-c2cccs2)no1 c1ccc(cc1)[*:1] O=C(N[C@@H](CO)C[*:1])c1nc(no1)-c1cccs1
O=C(N[C@@H](CO)Cc1ccccc1)c1nc(-c2cccs2)no1 c1csc(c1)[*:1] O=C(N[C@@H](CO)Cc1ccccc1)c1nc(no1)[*:1]
O=C(N[C@@H](CO)Cc1ccccc1)c1nc(-c2cccs2)no1 c1ccc(cc1)C[*:1] O=C(N[C@@H](CO)[*:1])c1nc(no1)-c1cccs1
O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 Fc1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1ccc(c(c1)NC1CC1)[N+](=O)[O-])[*:1]
O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)c1ccc(c(c1)NC1CC1)[*:1]
O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 C1CC1N[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 C1CC1[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)c1ccc(c(c1)N[*:1])[N+](=O)[O-]
CCOc1ccc(NC(=O)NCc2n[nH]c(=S)n2C2CC2)cc1 CCO[*:1] O=C(NCc1n[nH]c(=S)n1C1CC1)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)NCc2n[nH]c(=S)n2C2CC2)cc1 C1CC1[*:1] CCOc1ccc(cc1)NC(=O)NCc1n[nH]c(=S)n1[*:1]
CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1=O CCc1ccccc1[*:1] O=C(Nc1ccc2OCCOc2c1)[C@H]1CC(=O)N(C1)[*:1]
Cc1cc(S(=O)(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)ccc1F c1ccc(cc1)[*:1] Cc1cc(ccc1F)S(=O)(=O)NCCOc1ccc2nnc(n2n1)[*:1]
Cc1cc(S(=O)(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)ccc1F Cc1cc(ccc1F)[*:1] O=S(=O)(NCCOc1ccc2nnc(-c3ccccc3)n2n1)[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+]CCC(C)(C)O)c1 CC(=O)N[*:1] C[C@H]([NH2+]CCC(C)(C)O)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+]CCC(C)(C)O)c1 CC(C)(O)[*:1] CC(=O)Nc1cccc(c1)[C@H](C)[NH2+]CC[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+]CCC(C)(C)O)c1 CC(C)(O)C[*:1] CC(=O)Nc1cccc(c1)[C@H](C)[NH2+]C[*:1]
CO[C@@H]1C[C@@H](NC(C)=O)[C@H]2O[C@H](c3ccccc3)OC[C@@H]2O1 c1ccc(cc1)[*:1] CO[C@@H]1C[C@@H](NC(C)=O)[C@H]2O[C@H](OC[C@@H]2O1)[*:1]
CO[C@@H]1C[C@@H](NC(C)=O)[C@H]2O[C@H](c3ccccc3)OC[C@@H]2O1 CC(=O)N[*:1] CO[C@@H]1C[C@@H]([C@H]2O[C@@H](OC[C@@H]2O1)c1ccccc1)[*:1]
NS(=O)(=O)c1ccc(C(=O)OCc2ccccc2Br)cc1 NS(=O)(=O)[*:1] O=C(OCc1ccccc1Br)c1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(C(=O)OCc2ccccc2Br)cc1 Brc1ccccc1[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)OC[*:1]
CCC(=O)N1CC[C@H](c2nc(Cc3cccs3)no2)C1 c1csc(c1)C[*:1] CCC(=O)N1CC[C@@H](C1)c1nc(no1)[*:1]
CCC(=O)N1CC[C@H](c2nc(Cc3cccs3)no2)C1 c1csc(c1)[*:1] CCC(=O)N1CC[C@@H](C1)c1nc(C[*:1])no1
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1F)c1cccc(N2CCCC2=O)c1 Fc1ccc(c(F)c1)[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1cccc(c1)N1CCCC1=O
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1F)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1F)c1cccc(c1)[*:1]
COc1ccc2c(c1)C=C(C(=O)N(C)c1cccc(C#N)c1)CO2 N#Cc1cccc(c1)[*:1] COc1ccc2OCC(=Cc2c1)C(=O)N(C)[*:1]
O=C(CN1C(=O)N[C@@](Cc2ccccc2Cl)(C2CC[NH2+]CC2)C1=O)NC1CC1 Clc1ccccc1[*:1] O=C(CN1C(=O)N[C@](C[*:1])(C1=O)C1CC[NH2+]CC1)NC1CC1
O=C(CN1C(=O)N[C@@](Cc2ccccc2Cl)(C2CC[NH2+]CC2)C1=O)NC1CC1 O=C(NC1CC1)[*:1] O=C1N[C@](Cc2ccccc2Cl)(C(=O)N1C[*:1])C1CC[NH2+]CC1
O=C(CN1C(=O)N[C@@](Cc2ccccc2Cl)(C2CC[NH2+]CC2)C1=O)NC1CC1 O=C(C[*:1])NC1CC1 O=C1N[C@](Cc2ccccc2Cl)(C(=O)N1[*:1])C1CC[NH2+]CC1
O=C(CN1C(=O)N[C@@](Cc2ccccc2Cl)(C2CC[NH2+]CC2)C1=O)NC1CC1 Clc1ccccc1C[*:1] O=C(CN1C(=O)N[C@](C1=O)(C1CC[NH2+]CC1)[*:1])NC1CC1
O=C(CN1C(=O)N[C@@](Cc2ccccc2Cl)(C2CC[NH2+]CC2)C1=O)NC1CC1 C1CC1[*:1] O=C(CN1C(=O)N[C@](Cc2ccccc2Cl)(C1=O)C1CC[NH2+]CC1)N[*:1]
Cc1nc(COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)cs1 Cc1nc(cs1)C[*:1] CN(c1ccc(cc1)O[*:1])S(=O)(=O)c1ccc(F)cc1
Cc1nc(COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)COc1ccc(cc1)N(C)S(=O)(=O)[*:1]
Cc1nc(COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)cs1 Cc1nc(cs1)[*:1] CN(c1ccc(cc1)OC[*:1])S(=O)(=O)c1ccc(F)cc1
Cc1nc(COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)cs1 Cc1nc(cs1)CO[*:1] CN(c1ccc(cc1)[*:1])S(=O)(=O)c1ccc(F)cc1
CC(C)(Nc1ccc(Cl)cc1)C(=O)[O-] O=C([O-])[*:1] CC(C)(Nc1ccc(Cl)cc1)[*:1]
CCN(C(=O)Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)Cn1cc(ccc1=O)S(=O)(=O)N1CCCCCC1)[*:1]
Nc1ccc(OC(F)F)cc1Cl FC(F)[*:1] Nc1ccc(cc1Cl)O[*:1]
Nc1ccc(OC(F)F)cc1Cl FC(F)O[*:1] Nc1ccc(cc1Cl)[*:1]
Cc1ccc(NCc2ccc(C(C)C)cc2)c(C)n1 CC(C)[*:1] Cc1ccc(NCc2ccc(cc2)[*:1])c(C)n1
CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(cc1)[*:1]
CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(cc1)O[*:1]
CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(Oc2ccccc2)cc1 O=C(N1CCCCCC1)[*:1] CS(=O)(=O)N(C[*:1])c1ccc(cc1)Oc1ccccc1
COc1ccccc1OCC(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 COc1ccccc1[*:1] O=C(CO[*:1])N1CCC[C@H](C1)c1cc(C(F)F)n2ncnc2n1
COc1ccccc1OCC(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 FC(F)[*:1] COc1ccccc1OCC(=O)N1CCC[C@H](C1)c1cc(n2ncnc2n1)[*:1]
COc1ccccc1OCC(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 COc1ccccc1O[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1cc(C(F)F)n2ncnc2n1
COc1ccccc1OCC(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 COc1ccccc1OC[*:1] O=C(N1CCC[C@H](C1)c1cc(C(F)F)n2ncnc2n1)[*:1]
Cc1cc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)on1 c1cncc(c1)[*:1] Cc1cc(on1)C(=O)N1CCC(CC1)c1nc(ncc1[*:1])NC(C)C
Cc1cc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)on1 CC(C)[*:1] Cc1cc(on1)C(=O)N1CCC(CC1)c1nc(ncc1-c1cccnc1)N[*:1]
Cc1cc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)on1 Cc1cc(on1)[*:1] CC(C)Nc1ncc(-c2cccnc2)c(n1)C1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)on1 CC(C)N[*:1] Cc1cc(on1)C(=O)N1CCC(CC1)c1nc(ncc1-c1cccnc1)[*:1]
Cc1nc(NCC2([O-])CCC2)c2cc[nH]c2n1 [O-]C1(CCC1)[*:1] Cc1nc(NC[*:1])c2cc[nH]c2n1
CCCCS(=O)(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C CCCC[*:1] C[C@@H]1Cc2cc(ccc2N1S(=O)(=O)[*:1])S(N)(=O)=O
CCCCS(=O)(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C CCC[*:1] C[C@@H]1Cc2cc(ccc2N1S(=O)(=O)C[*:1])S(N)(=O)=O
CCCCS(=O)(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C NS(=O)(=O)[*:1] CCCCS(=O)(=O)N1c2ccc(cc2C[C@H]1C)[*:1]
Cc1ccc(O)c(C(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c1 Cc1n[nH]c(C)c1[*:1] Cc1ccc(O)c(c1)C(=O)N1CCC[C@@H]1[*:1]
CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 CC(C)[*:1] CN(CC(=O)Nc1ccc(cc1)[*:1])S(=O)(=O)c1ccc2SCC(=O)Nc2c1
CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 CC(C)c1ccc(cc1)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc2SCC(=O)Nc2c1
O=C1CCCCN1CC1CCN(c2nc(C3CC3)ns2)CC1 C1CC1[*:1] O=C1CCCCN1CC1CCN(CC1)c1nc(ns1)[*:1]
O=C1CCCCN1CC1CCN(c2nc(C3CC3)ns2)CC1 O=C1CCCCN1[*:1] C1CN(CCC1C[*:1])c1nc(ns1)C1CC1
Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)cc1 c1cc(cs1)-c1noc(n1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N1CC[NH+](CC1)C[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)cc1 Cc1noc(C)c1C[*:1] O=C(c1ccc(cc1)O[*:1])N1CC[NH+](CC1)Cc1nc(no1)-c1ccsc1
Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)cc1 Cc1noc(C)c1CO[*:1] O=C(c1ccc(cc1)[*:1])N1CC[NH+](CC1)Cc1nc(no1)-c1ccsc1
Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)cc1 Cc1noc(C)c1[*:1] O=C(c1ccc(cc1)OC[*:1])N1CC[NH+](CC1)Cc1nc(no1)-c1ccsc1
Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)cc1 c1cc(cs1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N1CC[NH+](CC1)Cc1nc(no1)[*:1]
CCOC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)nc2)nc1 CCOC(=O)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNc1ccc(cn1)[*:1]
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)[*:1]
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(Cl)cc1Cl Clc1ccc(c(Br)c1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1ccc(Cl)cc1Cl
CC(C)(C)Cc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1 CC(C)(C)C[*:1] O=C(CS(=O)(=O)c1ccccc1)Nc1nnc(s1)[*:1]
CC(C)(C)Cc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1 CC(C)(C)[*:1] O=C(CS(=O)(=O)c1ccccc1)Nc1nnc(C[*:1])s1
CC(C)(C)Cc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)(C)Cc1nnc(NC(=O)CS(=O)(=O)[*:1])s1
C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)[C@H]1CCCCN1C(=O)[*:1]
N#Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)c1 C1CCC(C1)[*:1] N#Cc1cccc(c1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
N#Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)c1 N#Cc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)NC1CCCC1
O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 c1cncc(c1)[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(CCc3ccc(F)cc3)Cc12
O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 Fc1ccc(cc1)C[*:1] O=C1/C(=C/c2cccnc2)Oc2c1ccc1OCN(Cc12)C[*:1]
O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 Fc1ccc(cc1)[*:1] O=C1/C(=C/c2cccnc2)Oc2c1ccc1OCN(CC[*:1])Cc12
O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 Fc1ccc(cc1)CC[*:1] O=C1/C(=C/c2cccnc2)Oc2c1ccc1OCN(Cc12)[*:1]
O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cn1c(nc2ccccc21)-c1ccccn1)NN=C[*:1]
O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C/c1ccc(Cl)cc1 c1ccc(nc1)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N/N=C/c1ccc(Cl)cc1
O=C(NCCc1ccc(Cl)cc1)[C@H]1CC(=O)N(C2CCCCCC2)C1 Clc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)C1CCCCCC1
O=C(NCCc1ccc(Cl)cc1)[C@H]1CC(=O)N(C2CCCCCC2)C1 C1CCCC(CC1)[*:1] O=C(NCCc1ccc(Cl)cc1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@H]1CC(=O)N(C2CCCCCC2)C1 Clc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(C1)C1CCCCCC1
C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1 Clc1ccc(cc1)[*:1] C[C@@H](C[*:1])[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1
C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]([C@@H]1CCOC1)[*:1]
C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1 Clc1ccc(cc1)C[*:1] C[C@@H]([NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1)[*:1]
C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1 C1C[C@H](CO1)[*:1] C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](N1CCOCC1)[*:1]
CCC(=O)c1cccc(C(=O)Cl)c1 CCC(=O)[*:1] O=C(Cl)c1cccc(c1)[*:1]
CCC(=O)c1cccc(C(=O)Cl)c1 O=C(Cl)[*:1] CCC(=O)c1cccc(c1)[*:1]
CCn1nc(C)c2nc([C@@H](C)Cl)n(-c3ccn(C)n3)c21 C[C@@H](Cl)[*:1] CCn1nc(C)c2nc(n(-c3ccn(C)n3)c21)[*:1]
CCn1nc(C)c2nc([C@@H](C)Cl)n(-c3ccn(C)n3)c21 Cn1ccc(n1)[*:1] CCn1nc(C)c2nc([C@@H](C)Cl)n(c21)[*:1]
CC[C@H]1CN(C(=O)c2n[nH]c(C3CC3)n2)CCO1 C1CC1[*:1] CC[C@H]1CN(CCO1)C(=O)c1n[nH]c(n1)[*:1]
O=C(N[C@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(N[C@H]1CC[NH2+]C1)c1ccc(cc1)O[*:1]
O=C(N[C@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(N[C@H]1CC[NH2+]C1)c1ccc(cc1)[*:1]
O=C(CNCc1ccccc1)N1CCO[C@@H](C(F)(F)F)C1 c1ccc(cc1)[*:1] O=C(CNC[*:1])N1CCO[C@H](C1)C(F)(F)F
O=C(CNCc1ccccc1)N1CCO[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(CNCc1ccccc1)N1CCO[C@@H](C1)[*:1]
O=C(CNCc1ccccc1)N1CCO[C@@H](C(F)(F)F)C1 c1ccc(cc1)C[*:1] O=C(CN[*:1])N1CCO[C@H](C1)C(F)(F)F
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2S(=O)(=O)c2c(C)noc2C)cc1OC Cc1noc(C)c1[*:1] COc1ccc(cc1OC)[C@@H]1c2cc(OC)c(cc2CCN1S(=O)(=O)[*:1])OC
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2S(=O)(=O)c2c(C)noc2C)cc1OC COc1ccc(cc1OC)[*:1] COc1cc2CCN([C@@H](c2cc1OC)[*:1])S(=O)(=O)c1c(C)noc1C
Cc1cc(NC(=O)C[C@@H]2CSc3nccc(=O)n32)no1 Cc1cc(no1)[*:1] O=C(C[C@@H]1CSc2nccc(=O)n21)N[*:1]
CCOC(=O)CN(C(=O)[C@H]1C[C@@H]1C)c1ccc(F)cc1 CCOC(=O)C[*:1] C[C@H]1C[C@@H]1C(=O)N(c1ccc(F)cc1)[*:1]
CCOC(=O)CN(C(=O)[C@H]1C[C@@H]1C)c1ccc(F)cc1 CCOC(=O)[*:1] C[C@H]1C[C@@H]1C(=O)N(C[*:1])c1ccc(F)cc1
N#Cc1cccc(CNC(=O)c2cn(Cc3cccnc3)nn2)c1 c1cncc(c1)C[*:1] N#Cc1cccc(c1)CNC(=O)c1cn(nn1)[*:1]
N#Cc1cccc(CNC(=O)c2cn(Cc3cccnc3)nn2)c1 c1cncc(c1)[*:1] N#Cc1cccc(c1)CNC(=O)c1cn(C[*:1])nn1
N#Cc1cccc(CNC(=O)c2cn(Cc3cccnc3)nn2)c1 N#Cc1cccc(c1)[*:1] O=C(NC[*:1])c1cn(Cc2cccnc2)nn1
CN(C)C(=O)CC[NH2+]Cc1cnc2cnc(Br)cn12 CN(C)C(=O)[*:1] Brc1cn2c(cnc2cn1)C[NH2+]CC[*:1]
CN(C)C(=O)CC[NH2+]Cc1cnc2cnc(Br)cn12 CN(C)C(=O)C[*:1] Brc1cn2c(cnc2cn1)C[NH2+]C[*:1]
CCOc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1 CCO[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CC(=NO1)c1ccccc1
CCOc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)[C@@H]1CC(=NO1)[*:1]
CCc1ccc(CCNC(=O)Nc2nnc(CC)s2)cc1 CCc1nnc(s1)[*:1] CCc1ccc(cc1)CCNC(=O)N[*:1]
CS[C@@H](C)c1cccc(NC(=O)CSCc2ccncc2)c1 c1cc(ccn1)C[*:1] CS[C@@H](C)c1cccc(c1)NC(=O)CS[*:1]
CS[C@@H](C)c1cccc(NC(=O)CSCc2ccncc2)c1 c1cc(ccn1)[*:1] CS[C@@H](C)c1cccc(c1)NC(=O)CSC[*:1]
Cc1cc([C@@H](O)CCNC(=O)c2ccccc2Br)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NCC[C@H](O)[*:1])c1ccccc1Br
Cc1cc([C@@H](O)CCNC(=O)c2ccccc2Br)c(C)o1 Brc1ccccc1[*:1] Cc1cc(c(C)o1)[C@@H](O)CCNC(=O)[*:1]
CSc1ccccc1NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 CSc1ccccc1[*:1] CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)N[*:1]
Cc1c(C(=O)NCCCOc2cccc3cccnc23)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)NCCCOc1cccc2cccnc12
COC[C@@H](C)N1CCN(C(=O)c2ccc(-n3nc(C)nc3C)cc2)CC1 COC[C@@H](C)[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
COC[C@@H](C)N1CCN(C(=O)c2ccc(-n3nc(C)nc3C)cc2)CC1 COC[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)N1CCN(CC1)[C@H](C)[*:1]
COC[C@@H](C)N1CCN(C(=O)c2ccc(-n3nc(C)nc3C)cc2)CC1 Cc1nc(C)n(n1)[*:1] COC[C@@H](C)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1 CC(C)[*:1] CN1C(=O)C(C)(C)c2cc(ccc21)S(=O)(=O)NCC1CC[NH+](CC1)CC[*:1]
CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1 CC(C)CC[*:1] CN1C(=O)C(C)(C)c2cc(ccc21)S(=O)(=O)NCC1CC[NH+](CC1)[*:1]
CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1 CC(C)C[*:1] CN1C(=O)C(C)(C)c2cc(ccc21)S(=O)(=O)NCC1CC[NH+](CC1)C[*:1]
COC(=O)[C@@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 COC(=O)[*:1] C[C@@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)[*:1]
COC(=O)[C@@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)SCc1nc2scc(c2c(=O)[nH]1)[*:1]
CCOC(=O)CC[C@H]1CCCN(C(=O)c2cn(C)nc2C(C)(C)C)C1 CCOC(=O)[*:1] Cn1cc(C(=O)N2CCC[C@H](CC[*:1])C2)c(n1)C(C)(C)C
CCOC(=O)CC[C@H]1CCCN(C(=O)c2cn(C)nc2C(C)(C)C)C1 CCOC(=O)C[*:1] Cn1cc(C(=O)N2CCC[C@@H](C2)C[*:1])c(n1)C(C)(C)C
CCOC(=O)CC[C@H]1CCCN(C(=O)c2cn(C)nc2C(C)(C)C)C1 CC(C)(C)[*:1] CCOC(=O)CC[C@H]1CCCN(C1)C(=O)c1cn(C)nc1[*:1]
CCOC(=O)CC[C@H]1CCCN(C(=O)c2cn(C)nc2C(C)(C)C)C1 CCOC(=O)CC[*:1] Cn1cc(C(=O)N2CCC[C@@H](C2)[*:1])c(n1)C(C)(C)C
CCOc1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 CCOc1ccccc1[*:1] O=C(N[*:1])N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
CCOc1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 CCO[*:1] O=C(Nc1ccccc1[*:1])N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
O=S(=O)(/N=C(\[O-])C[C@H]1CCOc2ccccc21)C1CCCC1 C1CCC(C1)[*:1] O=S(=O)(/N=C(\[O-])C[C@H]1CCOc2ccccc21)[*:1]
Cc1ccc(NC(=O)CC/C=C/c2ccccc2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)CC/C=C/c1ccccc1
Cc1ccc(NC(=O)CC/C=C/c2ccccc2)cc1C(N)=O c1ccc(cc1)[*:1] Cc1ccc(cc1C(N)=O)NC(=O)CCC=C[*:1]
CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)S/C1=N\c1cccc(C(F)(F)F)c1 c1ccc(cc1)CC[*:1] CN1C(=O)[C@H](CC(=O)N[*:1])S/C1=N\c1cccc(c1)C(F)(F)F
CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)S/C1=N\c1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] CN1C(=O)[C@H](CC(=O)NCC[*:1])S/C1=N\c1cccc(c1)C(F)(F)F
CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)S/C1=N\c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)S/C1=N\c1cccc(c1)[*:1]
CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)S/C1=N\c1cccc(C(F)(F)F)c1 c1ccc(cc1)C[*:1] CN1C(=O)[C@H](CC(=O)NC[*:1])S/C1=N\c1cccc(c1)C(F)(F)F
CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)S/C1=N\c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)SC1=N[*:1]
Cc1ccc(N2C(=O)C=CC2=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)[*:1])N1C(=O)C=CC1=O
Cc1cc(=O)n(CC(=O)N2CCCC2)c(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] Cc1cc(=O)n(CC(=O)N2CCCC2)c(n1)[*:1]
Cc1cc(=O)n(CC(=O)N2CCCC2)c(-c2cccc(Cl)c2)n1 O=C(N1CCCC1)[*:1] Cc1cc(=O)n(C[*:1])c(n1)-c1cccc(Cl)c1
COc1ccc([C@@H]2[C@H](C(=O)NCc3ncn(C)n3)CCC(=O)N2C)cc1 Cn1cnc(C[*:1])n1 COc1ccc(cc1)[C@@H]1[C@@H](CCC(=O)N1C)C(=O)N[*:1]
COc1ccc([C@@H]2[C@H](C(=O)NCc3ncn(C)n3)CCC(=O)N2C)cc1 Cn1cnc(n1)[*:1] COc1ccc(cc1)[C@@H]1[C@@H](CCC(=O)N1C)C(=O)NC[*:1]
COc1ccc([C@@H]2[C@H](C(=O)NCc3ncn(C)n3)CCC(=O)N2C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)CC[C@@H](C(=O)NCc2ncn(C)n2)[C@H]1[*:1]
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(OCc2ccc(F)cc2)CC1 O=[N+]([O-])[*:1] O=C(c1cc(Cl)cc(c1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(c1cc(Cl)cc(c1)[N+](=O)[O-])N1CCC(CC1)O[*:1]
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cc(Cl)cc(c1)[N+](=O)[O-])N1CCC(CC1)OC[*:1]
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C(c1cc(Cl)cc(c1)[N+](=O)[O-])N1CCC(CC1)[*:1]
CC1CCN(C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)CCC(=O)c1ccc(cc1)[*:1]
O=C(NNC(=O)c1cc2ccccc2o1)C(=O)NC1CC1 C1CC1[*:1] O=C(NNC(=O)c1cc2ccccc2o1)C(=O)N[*:1]
Cc1nc([C@@H](NC(=O)[C@@H](C)c2ccsc2)c2ccccc2F)no1 Cc1nc(no1)[*:1] C[C@H](C(=O)N[C@@H](c1ccccc1F)[*:1])c1ccsc1
Cc1nc([C@@H](NC(=O)[C@@H](C)c2ccsc2)c2ccccc2F)no1 C[C@@H](c1ccsc1)[*:1] Cc1nc(no1)[C@@H](NC(=O)[*:1])c1ccccc1F
Cc1nc([C@@H](NC(=O)[C@@H](C)c2ccsc2)c2ccccc2F)no1 Fc1ccccc1[*:1] Cc1nc(no1)[C@@H](NC(=O)[C@@H](C)c1ccsc1)[*:1]
Cc1nc([C@@H](NC(=O)[C@@H](C)c2ccsc2)c2ccccc2F)no1 c1cc(cs1)[*:1] Cc1nc(no1)[C@@H](NC(=O)[C@@H](C)[*:1])c1ccccc1F
C[C@H]1C[NH+](CCC(=O)[O-])C[C@@H]1C O=C([O-])[*:1] C[C@H]1C[NH+](CC[*:1])C[C@@H]1C
C[C@H]1C[NH+](CCC(=O)[O-])C[C@@H]1C O=C([O-])C[*:1] C[C@H]1C[NH+](C[C@@H]1C)C[*:1]
Cc1ccc(NC(=O)C[C@H]2S/C(=N/CCC(C)C)NC2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)CC/N=C1\NC(=O)[C@@H](CC(=O)N[*:1])S1
Cc1ccc(NC(=O)C[C@H]2S/C(=N/CCC(C)C)NC2=O)cc1 CC(C)CC[*:1] Cc1ccc(cc1)NC(=O)C[C@H]1SC(=N[*:1])NC1=O
Cc1ccc(NC(=O)C[C@H]2S/C(=N/CCC(C)C)NC2=O)cc1 CC(C)C[*:1] Cc1ccc(cc1)NC(=O)C[C@H]1S/C(=N/C[*:1])NC1=O
Cc1ccc(NC(=O)C[C@H]2S/C(=N/CCC(C)C)NC2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)C[C@H]1S/C(=N/CC[*:1])NC1=O
CN(C(=O)CSc1nnc(NCc2ccccc2)s1)C1(C#N)CCCCC1 c1ccc(cc1)C[*:1] CN(C(=O)CSc1nnc(N[*:1])s1)C1(C#N)CCCCC1
CN(C(=O)CSc1nnc(NCc2ccccc2)s1)C1(C#N)CCCCC1 c1ccc(cc1)[*:1] CN(C(=O)CSc1nnc(NC[*:1])s1)C1(C#N)CCCCC1
CN(C(=O)CSc1nnc(NCc2ccccc2)s1)C1(C#N)CCCCC1 c1ccc(cc1)CN[*:1] CN(C(=O)CSc1nnc(s1)[*:1])C1(C#N)CCCCC1
CN(C(=O)CSc1nnc(NCc2ccccc2)s1)C1(C#N)CCCCC1 N#CC1(CCCCC1)[*:1] CN(C(=O)CSc1nnc(NCc2ccccc2)s1)[*:1]
Cn1cc(C[NH2+]Cc2ccccc2CS(C)(=O)=O)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C[NH2+]Cc2ccccc2CS(C)(=O)=O)c(n1)[*:1]
Cn1cc(C[NH2+]Cc2ccccc2CS(C)(=O)=O)c(-c2ccccc2)n1 CS(=O)(=O)[*:1] Cn1cc(C[NH2+]Cc2ccccc2C[*:1])c(n1)-c1ccccc1
Cn1cc(C[NH2+]Cc2ccccc2CS(C)(=O)=O)c(-c2ccccc2)n1 CS(=O)(=O)C[*:1] Cn1cc(C[NH2+]Cc2ccccc2[*:1])c(n1)-c1ccccc1
Cc1ccc(C(=O)NC(C)(C)C#N)cc1Br CC(C)(C#N)[*:1] Cc1ccc(cc1Br)C(=O)N[*:1]
CCOC(=O)C1(O)CC[NH+](Cc2cc[nH]n2)CC1 c1cc(C[*:1])n[nH]1 CCOC(=O)C1(O)CC[NH+](CC1)[*:1]
CCOC(=O)C1(O)CC[NH+](Cc2cc[nH]n2)CC1 c1cc(n[nH]1)[*:1] CCOC(=O)C1(O)CC[NH+](CC1)C[*:1]
CCOC(=O)C1(O)CC[NH+](Cc2cc[nH]n2)CC1 CCOC(=O)[*:1] OC1(CC[NH+](CC1)Cc1cc[nH]n1)[*:1]
C[C@](O)(CNC(=O)Nc1ccc2[nH]ccc2c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)Nc1ccc2[nH]ccc2c1)[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](Oc2cccc(F)c2F)C1 CC(C)[*:1] NC(=O)[C@@]1(CC[C@@H](C1)Oc1cccc(F)c1F)[NH2+][*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](Oc2cccc(F)c2F)C1 NC(=O)[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)Oc1cccc(F)c1F)[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N N#CC[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@H](C)[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N COc1ccccc1[*:1] C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1[*:1]
CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 CN(C)C(=O)[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@H](C1)[*:1]
C[C@@H](OC(=O)Cn1nnc2ccccc21)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)Cn1nnc2ccccc21)C(=O)NC[*:1]
C[C@@H](OC(=O)Cn1nnc2ccccc21)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](OC(=O)Cn1nnc2ccccc21)C(=O)N[*:1]
Cc1occc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1 Cc1occc1[*:1] Cc1sc(nc1-c1ccc(F)c(F)c1)NC(=O)[*:1]
CN1C(=O)c2ccc(C(=O)OCc3ccccc3)cc2C1=O c1ccc(cc1)[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)OC[*:1]
CN1C(=O)c2ccc(C(=O)OCc3ccccc3)cc2C1=O c1ccc(cc1)C[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)O[*:1]
CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(c1)[*:1]
CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 C1CO[C@@H](C1)C[*:1] CCN(C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C)[*:1]
CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 C1CO[C@@H](C1)[*:1] CCN(C[*:1])C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C
COC(=O)C[C@@H](c1ccccc1C1CC1)C(C)(C)[NH3+] COC(=O)[*:1] CC(C)([NH3+])[C@@H](C[*:1])c1ccccc1C1CC1
COC(=O)C[C@@H](c1ccccc1C1CC1)C(C)(C)[NH3+] COC(=O)C[*:1] CC(C)([NH3+])[C@H](c1ccccc1C1CC1)[*:1]
COC(=O)C[C@@H](c1ccccc1C1CC1)C(C)(C)[NH3+] C1CC1[*:1] COC(=O)C[C@@H](c1ccccc1[*:1])C(C)(C)[NH3+]
C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2c(F)cccc2F)n1C Fc1ccccc1[*:1] C[C@@H](NC(=O)[*:1])c1nnc(SCC(=O)Nc2c(F)cccc2F)n1C
C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2c(F)cccc2F)n1C O=C(N[*:1])c1ccccc1F C[C@@H](c1nnc(SCC(=O)Nc2c(F)cccc2F)n1C)[*:1]
C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2c(F)cccc2F)n1C Fc1cccc(F)c1[*:1] C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)N[*:1])n1C
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)NCCC1=c2ccccc2=[NH+]C1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])C(=O)NCCC1C[NH+]=c2ccccc2=1
COC(=O)c1cc2n(n1)CCN(C(=O)[C@H]1C(C)=NC3=C1C(=O)CCC3)C2 COC(=O)[*:1] CC1=NC2CCCC(=O)C=2[C@H]1C(=O)N1CCn2nc(cc2C1)[*:1]
CNc1cc(F)nc(N/C([O-])=N/S(=O)(=O)c2ccccc2C(=O)OC)n1 COC(=O)[*:1] CNc1cc(F)nc(n1)N/C([O-])=N/S(=O)(=O)c1ccccc1[*:1]
Cc1c(Br)cccc1C(=O)NCCC[NH+](C)CC(F)(F)F FC(F)(F)[*:1] Cc1c(Br)cccc1C(=O)NCCC[NH+](C)C[*:1]
Cc1c(Br)cccc1C(=O)NCCC[NH+](C)CC(F)(F)F FC(F)(F)C[*:1] Cc1c(Br)cccc1C(=O)NCCC[NH+](C)[*:1]
CS(=O)(=O)c1snnc1C1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CS(=O)(=O)c1snnc1C1CCN(CC1)C(=O)[*:1]
CS(=O)(=O)c1snnc1C1CCN(C(=O)c2ccco2)CC1 CS(=O)(=O)[*:1] O=C(c1ccco1)N1CCC(CC1)c1nnsc1[*:1]
C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cc(F)c([O-])c(F)c1 O=[N+]([O-])[*:1] C=CCN(Cc1cccc(c1)[*:1])Cc1cc(F)c([O-])c(F)c1
C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cc(F)c([O-])c(F)c1 C=CC[*:1] O=[N+]([O-])c1cccc(c1)CN(Cc1cc(F)c([O-])c(F)c1)[*:1]
NC(=O)c1ccccc1NC(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] NC(=O)c1ccccc1NC(=O)c1csc(n1)NC(=O)N[*:1]
NC(=O)c1ccccc1NC(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)n1 NC(=O)c1ccccc1[*:1] O=C(Nc1ccc(Cl)cc1)Nc1nc(cs1)C(=O)N[*:1]
NC(=O)c1ccccc1NC(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)n1 NC(=O)[*:1] O=C(Nc1ccc(Cl)cc1)Nc1nc(cs1)C(=O)Nc1ccccc1[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@H](C)OC)C1 COC(=O)[*:1] CO[C@@H](C)C(=O)N1CCC[C@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@H](C)OC)C1 CO[C@@H](C)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)[*:1]
COCC[NH2+]Cc1cn(C)nc1-c1ccc(C)c(F)c1 COCC[*:1] Cc1ccc(cc1F)-c1nn(C)cc1C[NH2+][*:1]
COCC[NH2+]Cc1cn(C)nc1-c1ccc(C)c(F)c1 COC[*:1] Cc1ccc(cc1F)-c1nn(C)cc1C[NH2+]C[*:1]
O=C1O[C@H](/C=N/c2ccc(C(F)(F)F)cc2)c2ccccc21 FC(F)(F)[*:1] O=C1O[C@H](/C=N/c2ccc(cc2)[*:1])c2ccccc21
CCOC(=O)c1ncsc1NCc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1ncsc1NC[*:1]
CCOC(=O)c1ncsc1NCc1ccccc1 CCOC(=O)[*:1] c1ccc(cc1)CNc1scnc1[*:1]
Cc1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)on1 c1ccc(cc1)C[*:1] Cc1cc(CN(C[C@@H](O)c2ccco2)[*:1])on1
Cc1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)on1 Cc1cc(C[*:1])on1 O[C@H](CN(Cc1ccccc1)[*:1])c1ccco1
Cc1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)on1 c1ccc(cc1)[*:1] Cc1cc(CN(C[C@@H](O)c2ccco2)C[*:1])on1
Cc1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)on1 Cc1cc(on1)[*:1] O[C@H](CN(Cc1ccccc1)C[*:1])c1ccco1
Cc1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)on1 c1coc(c1)[*:1] Cc1cc(CN(Cc2ccccc2)C[C@@H](O)[*:1])on1
CC(C)(NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1nccs1 C1CC1[*:1] CC(C)(NC(=O)c1cc(nc2ccc(F)cc12)[*:1])c1nccs1
CC(C)(NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1nccs1 c1csc(n1)[*:1] CC(C)(NC(=O)c1cc(nc2ccc(F)cc12)C1CC1)[*:1]
CC(C)(NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1nccs1 CC(C)(c1nccs1)[*:1] O=C(N[*:1])c1cc(nc2ccc(F)cc12)C1CC1
Cc1c(C(=O)Nc2ccc(N3CCOCC3)cn2)oc2c(F)cccc12 C1CN(CCO1)[*:1] Cc1c(oc2c(F)cccc12)C(=O)Nc1ccc(cn1)[*:1]
C[NH+](C)[C@@H](CNC(=O)Cn1ccnc1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Cn1ccnc1)[*:1]
C[NH+](C)[C@@H](CNC(=O)Cn1ccnc1)c1ccccc1 c1cn(cn1)C[*:1] C[NH+](C)[C@@H](CNC(=O)[*:1])c1ccccc1
C[NH+](C)[C@@H](CNC(=O)Cn1ccnc1)c1ccccc1 c1cn(cn1)[*:1] C[NH+](C)[C@@H](CNC(=O)C[*:1])c1ccccc1
CC(C)(C)N1C[C@@H]([NH2+]Cc2c(F)cccc2F)CC1=O CC(C)(C)[*:1] O=C1C[C@@H](CN1[*:1])[NH2+]Cc1c(F)cccc1F
O=C(COc1ccc(I)cc1)N[C@H]1CCOc2ccc(Br)cc21 Ic1ccc(cc1)[*:1] O=C(CO[*:1])N[C@H]1CCOc2ccc(Br)cc21
Cc1ccc(NC(=S)N(Cc2ccc3c(c2)OCO3)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2cc(CN(Cc3ccc4OCOc4c3)C(=S)N[*:1])c(=O)[nH]c2c1
Cc1ccc(NC(=S)N(Cc2ccc3c(c2)OCO3)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 c1cc2OCOc2cc1C[*:1] Cc1ccc(cc1)NC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)[*:1]
Cc1ccc(NC(=S)N(Cc2ccc3c(c2)OCO3)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)NC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[*:1]
C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 CS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1
C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C[C@H](CS(C)(=O)=O)[*:1] CN(C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@H]1CCCC[C@H]1[*:1]
C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@H]1CCCC[C@@H]1O[*:1]
C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 CS(=O)(=O)C[*:1] C[C@H](N(C)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
CN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)Nc1ccccc1)[C@H]1CCN(C1=O)[*:1]
CN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)N[*:1])[C@H]1CCN(C1=O)c1ccccc1
CN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)[C@H]1CCN(c2ccccc2)C1=O O=C(Nc1ccccc1)N[*:1] CN(C(=O)c1ccc(cc1)[*:1])[C@H]1CCN(C1=O)c1ccccc1
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2c(Cl)cccc2Cl)cc1 O=[N+]([O-])[*:1] Clc1cccc(Cl)c1C[NH2+]CCNc1ccc(cc1)[*:1]
CCC(C)(C)NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 CCC(C)(C)[*:1] CS(=O)(=O)C[C@@H](NC(=O)N[*:1])c1ccccc1
CCC(C)(C)NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)C[*:1] CCC(C)(C)NC(=O)N[C@H](c1ccccc1)[*:1]
CCC(C)(C)NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] CCC(C)(C)NC(=O)N[C@H](CS(C)(=O)=O)[*:1]
CCC(C)(C)NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)[*:1] CCC(C)(C)NC(=O)N[C@H](C[*:1])c1ccccc1
Cc1nn(C)cc1CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 Cc1nn(C)cc1[*:1] CN1C(=O)C[C@H](NC[*:1])[C@@H]1c1ccc(Cl)cc1
Cc1nn(C)cc1CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn(C)cc1CN[C@H]1CC(=O)N(C)[C@@H]1[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc(C)s2)cc1 Cc1ccc(s1)[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)[*:1]
O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1CN1CCOCC1 O=[N+]([O-])c1ccccc1[*:1] O=C(NCC[*:1])N1CCCC[C@H]1CN1CCOCC1
O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[*:1]
O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C[*:1]
O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1CN1CCOCC1 O=[N+]([O-])[*:1] O=C(NCCc1ccccc1[*:1])N1CCCC[C@H]1CN1CCOCC1
CC(=O)Nc1ccc(S[C@H](C)C(=O)NNc2c(C)cc(C)cc2C)cc1 CC(=O)N[*:1] Cc1cc(C)c(NNC(=O)[C@@H](C)Sc2ccc(cc2)[*:1])c(C)c1
COCc1nnc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)o1 COC[*:1] O=C(c1nnc(o1)[*:1])N1CCN(CC1)C[C@@H]1CCCO1
COCc1nnc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)o1 C1CO[C@@H](C1)[*:1] COCc1nnc(o1)C(=O)N1CCN(CC1)C[*:1]
COCc1nnc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)o1 C1CO[C@@H](C1)C[*:1] COCc1nnc(o1)C(=O)N1CCN(CC1)[*:1]
Nc1cc(CCCNC(=O)c2ccncc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Nc1cc(CCCNC(=O)c2ccncc2)nn1[*:1]
Nc1cc(CCCNC(=O)c2ccncc2)nn1-c1ccccc1 c1cc(ccn1)[*:1] Nc1cc(CCCNC(=O)[*:1])nn1-c1ccccc1
O=C([O-])CCc1ccc(S(=O)(=O)NC2COC2)cc1 C1OCC1[*:1] O=C([O-])CCc1ccc(cc1)S(=O)(=O)N[*:1]
O=C([O-])CCc1ccc(S(=O)(=O)NC2COC2)cc1 O=C([O-])[*:1] O=S(=O)(NC1COC1)c1ccc(cc1)CC[*:1]
O=C([O-])CCc1ccc(S(=O)(=O)NC2COC2)cc1 O=C([O-])CC[*:1] O=S(=O)(NC1COC1)c1ccc(cc1)[*:1]
O=C([O-])CCc1ccc(S(=O)(=O)NC2COC2)cc1 O=C([O-])C[*:1] O=S(=O)(NC1COC1)c1ccc(cc1)C[*:1]
O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1S[C@@H]1CCS(=O)(=O)C1
O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccccc1S[C@@H]1CCS(=O)(=O)C1
Cc1ccc(CNC(=O)c2cccc(OCc3cscn3)c2)cc1 c1nc(cs1)CO[*:1] Cc1ccc(cc1)CNC(=O)c1cccc(c1)[*:1]
Cc1ccc(CNC(=O)c2cccc(OCc3cscn3)c2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])c1cccc(c1)OCc1cscn1
Cc1ccc(CNC(=O)c2cccc(OCc3cscn3)c2)cc1 c1nc(cs1)C[*:1] Cc1ccc(cc1)CNC(=O)c1cccc(c1)O[*:1]
Cc1ccc(CNC(=O)c2cccc(OCc3cscn3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1cccc(c1)OCc1cscn1
Cc1ccc(CNC(=O)c2cccc(OCc3cscn3)c2)cc1 c1nc(cs1)[*:1] Cc1ccc(cc1)CNC(=O)c1cccc(c1)OC[*:1]
CC(=O)Nc1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1 CC(=O)N[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccc(Cl)cc1
CC(=O)Nc1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)N[*:1]
Cc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)n[nH]2)c(O)c1 Cc1ccc(c(O)c1)[*:1] CC(C)c1nnc(NC(=O)c2cc([nH]n2)[*:1])s1
Cc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)n[nH]2)c(O)c1 CC(C)c1nnc(s1)[*:1] Cc1ccc(-c2cc(n[nH]2)C(=O)N[*:1])c(O)c1
Cc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)n[nH]2)c(O)c1 CC(C)[*:1] Cc1ccc(-c2cc(n[nH]2)C(=O)Nc2nnc(s2)[*:1])c(O)c1
O=C(Cn1cnnn1)Nc1ccccc1OC(F)(F)F c1nnnn1C[*:1] O=C(Nc1ccccc1OC(F)(F)F)[*:1]
O=C(Cn1cnnn1)Nc1ccccc1OC(F)(F)F FC(F)(F)O[*:1] O=C(Cn1cnnn1)Nc1ccccc1[*:1]
O=C(Cn1cnnn1)Nc1ccccc1OC(F)(F)F c1nnnn1[*:1] O=C(C[*:1])Nc1ccccc1OC(F)(F)F
O=C(Cn1cnnn1)Nc1ccccc1OC(F)(F)F FC(F)(F)[*:1] O=C(Cn1cnnn1)Nc1ccccc1O[*:1]
N#C[C@H]1C(=N)C(C#N)(C#N)[C@H](c2ccccc2OCc2ccccc2Cl)[C@H]2COCC=C12 Clc1ccccc1[*:1] N#C[C@H]1C(=N)C(C#N)(C#N)[C@H](c2ccccc2OC[*:1])[C@H]2COCC=C12
N#C[C@H]1C(=N)C(C#N)(C#N)[C@H](c2ccccc2OCc2ccccc2Cl)[C@H]2COCC=C12 Clc1ccccc1C[*:1] N#C[C@H]1C(=N)C(C#N)(C#N)[C@H](c2ccccc2O[*:1])[C@H]2COCC=C12
N#C[C@H]1C(=N)C(C#N)(C#N)[C@H](c2ccccc2OCc2ccccc2Cl)[C@H]2COCC=C12 Clc1ccccc1CO[*:1] N#C[C@H]1C(=N)C(C#N)(C#N)[C@H](c2ccccc2[*:1])[C@H]2COCC=C12
Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)on1 Cc1cc(on1)[*:1] FC(F)(F)c1ccc(cc1)C[NH2+][C@@H]1COC[C@H]1C[*:1]
Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)on1 FC(F)(F)[*:1] Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2ccc(cc2)[*:1])on1
Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)on1 Cc1cc(C[*:1])on1 FC(F)(F)c1ccc(cc1)C[NH2+][C@@H]1COC[C@H]1[*:1]
Cc1cnn(CC[NH2+]Cc2nnc(C3CC3)o2)c1 Cc1cnn(c1)[*:1] C(C[*:1])[NH2+]Cc1nnc(o1)C1CC1
Cc1cnn(CC[NH2+]Cc2nnc(C3CC3)o2)c1 C1CC1[*:1] Cc1cnn(c1)CC[NH2+]Cc1nnc(o1)[*:1]
O=C(S[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(S[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc(cc1)[*:1]
CCCCCC(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1 CCC[*:1] O=C(CC[*:1])Nc1ccccc1S(=O)(=O)N1CCOCC1
CCCCCC(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1 CCCC[*:1] O=C(C[*:1])Nc1ccccc1S(=O)(=O)N1CCOCC1
CCCCCC(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1 CCCCC[*:1] O=C(Nc1ccccc1S(=O)(=O)N1CCOCC1)[*:1]
Cc1ccc(S(=O)(=O)NCCCNS(C)(=O)=O)cc1F CS(=O)(=O)NC[*:1] Cc1ccc(cc1F)S(=O)(=O)NCC[*:1]
Cc1ccc(S(=O)(=O)NCCCNS(C)(=O)=O)cc1F CS(=O)(=O)N[*:1] Cc1ccc(cc1F)S(=O)(=O)NCCC[*:1]
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C1=O COC(=O)[*:1] Cc1cccc(c1)COc1ccc(Br)cc1/C=C1/SC(=O)N(C1=O)[C@@H](C)[*:1]
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C1=O Cc1cccc(c1)[*:1] COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OC[*:1])C1=O
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C1=O Cc1cccc(c1)C[*:1] COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2O[*:1])C1=O
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C1=O Cc1cccc(c1)CO[*:1] COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2[*:1])C1=O
O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(-n2ccnn2)cc1 FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(cc1)-n1ccnn1
O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(Nc1nnc(s1)C(F)(F)F)c1ccc(cc1)[*:1]
Cc1ccc(C)c(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c1 Cc1ccc(C)c(c1)[*:1] Cn1c(nc2ccccc21)C1C(=O)CN(C=1N)[*:1]
O=C(CN1CCCCCC1=O)Nc1cccc(-c2ccn[nH]2)c1 c1cc([nH]n1)[*:1] O=C(CN1CCCCCC1=O)Nc1cccc(c1)[*:1]
NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 NC(=O)[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)S(=O)(=O)Cc1ccccc1
NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] NC(=O)c1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)c1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)C[*:1]
NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 NC(=O)c1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)Cc1ccccc1
C[C@H](C[NH2+][C@@H]1CCCCC1(C)C)C(N)=O NC(=O)[*:1] C[C@H](C[NH2+][C@@H]1CCCCC1(C)C)[*:1]
C[C@H](C[NH2+][C@@H]1CCCCC1(C)C)C(N)=O C[C@H](C(N)=O)[*:1] CC1(C)CCCC[C@H]1[NH2+]C[*:1]
CNC(=O)c1nc2c(s1)CN(C)CC2 CNC(=O)[*:1] CN1CCc2nc(sc2C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)c1cccc(F)c1[N+](=O)[O-])[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 COC(=O)C(C)(C)[*:1] O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)c1cccc(F)c1[*:1]
O=C(NCc1cccnc1-n1ccnc1)c1ncoc1C1CC1 C1CC1[*:1] O=C(NCc1cccnc1-n1ccnc1)c1ncoc1[*:1]
O=C(NCc1cccnc1-n1ccnc1)c1ncoc1C1CC1 c1cn(cn1)[*:1] O=C(NCc1cccnc1[*:1])c1ncoc1C1CC1
C[C@@H](CC(=O)NN)Sc1ccncc1 NNC(=O)[*:1] C[C@@H](C[*:1])Sc1ccncc1
CCc1nnc(N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)o1 CS(=O)(=O)[*:1] CCc1nnc(N[C@@H](CC)c2ccc(cc2)[*:1])o1
CCc1nnc(N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)o1 CCc1nnc(o1)[*:1] CC[C@H](N[*:1])c1ccc(cc1)S(C)(=O)=O
CNC(=O)c1cc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)ccc1Cl CNC(=O)[*:1] Cc1ccc(cc1)-c1nnc(CCC(=O)Nc2ccc(Cl)c(c2)[*:1])o1
CNC(=O)c1cc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)ccc1Cl Cc1ccc(cc1)[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)CCc1nnc(o1)[*:1]
Cc1ccc(NC(=O)N[C@@H](C)c2nnc3ccccn23)cc1-n1cnnn1 c1nnnn1[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@@H](C)c1nnc2ccccn12
Cc1ccc(NC(=O)N[C@@H](C)c2nnc3ccccn23)cc1-n1cnnn1 c1ccn2c(nnc2c1)[*:1] Cc1ccc(cc1-n1cnnn1)NC(=O)N[C@@H](C)[*:1]
C[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CC[C@@H](C)C1 CS(=O)(=O)[*:1] C[NH2+][C@H]([C@@H]1CCC[C@H](C1)[*:1])[C@@H]1CC[C@@H](C)C1
C[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CC[C@@H](C)C1 C[C@@H]1CC[C@H](C1)[*:1] C[NH2+][C@H]([C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 O=C(N[*:1])c1ccoc1 C[C@@H](C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H]1CC(=O)N(C1)C[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1cc(co1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1
C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@@H]1CC(=O)N(C1)[*:1]
C[NH+](C)CCN(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1 c1cncc(c1)C[*:1] C[NH+](C)CCN(C(=O)Nc1cccc(Cl)c1)[*:1]
C[NH+](C)CCN(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[NH+](C)CCN(Cc1cccnc1)C(=O)N[*:1]
C[NH+](C)CCN(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1 c1cncc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Nc1cccc(Cl)c1
CC(C)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 CC(C)[*:1] C[C@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 CC(C)c1ccc(cc1)[*:1] C[C@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)N[*:1]
CC(C)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 c1ncn(n1)[*:1] CC(C)c1ccc(cc1)NC(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
CCC[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCO1 Fc1ccc(cc1)[*:1] CCC[C@H]1CN(CCO1)C(=O)CCNS(=O)(=O)[*:1]
CCC[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCO1 CCC[*:1] O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCO[C@H](C1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccnc(Cl)n2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)Nc1ccnc(Cl)n1
CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccnc(Cl)n2)C1 Clc1nccc(n1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)N[*:1]
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)NC1CC(C)(C)CC(=O)C=1C2[*:1]
Cc1ccc2c(c1)[C@H]([NH2+]C(C)C)[C@@H](C)[C@H](C)S2 CC(C)[*:1] Cc1ccc2S[C@@H](C)[C@H](C)[C@@H]([NH2+][*:1])c2c1
CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cn2c3c(sc2=O)CCCC3)C1 CCC[C@H](C)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)Cn1c2CCCCc2sc1=O
CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cn2c3c(sc2=O)CCCC3)C1 CCC[C@H](C)NC(=O)[*:1] O=c1sc2CCCCc2n1CN1CCC[C@H](C1)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cn2c3c(sc2=O)CCCC3)C1 CCC[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)Cn1c2CCCCc2sc1=O)[*:1]
CCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 CCCCNC(=O)[*:1] CSc1ccc(cc1)N1C[C@@H](CC1=O)[*:1]
CCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 CCCC[*:1] CSc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 CCC[*:1] CSc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
O=C(c1ccncc1)N1CCCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(c1ccncc1)N1CCCC[C@H]1[*:1]
O=C(c1ccncc1)N1CCCC[C@@H]1c1ccc(F)cc1 c1cc(ccn1)[*:1] O=C(N1CCCC[C@@H]1c1ccc(F)cc1)[*:1]
Cc1ccc(S(=O)(=O)CCC(=O)N2CCCCC[C@H]2c2cccn2C)cc1 Cn1cccc1[*:1] Cc1ccc(cc1)S(=O)(=O)CCC(=O)N1CCCCC[C@@H]1[*:1]
Cc1ccc(S(=O)(=O)CCC(=O)N2CCCCC[C@H]2c2cccn2C)cc1 Cc1ccc(cc1)[*:1] Cn1cccc1[C@@H]1CCCCCN1C(=O)CCS(=O)(=O)[*:1]
C/C(=N\NC(=O)CSC1[NH+]=c2ccccc2=[NH+]1)c1ccccc1 c1ccc(cc1)[*:1] CC(=NNC(=O)CSC1[NH+]=c2ccccc2=[NH+]1)[*:1]
Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccc(F)cc3)cc12 Fc1ccc(cc1)[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)CN(CCC[NH+](C)C)C(=O)N[*:1]
O=c1[nH]c(CSc2nncs2)nc2ccc(Cl)cc12 c1nnc(S[*:1])s1 O=c1[nH]c(C[*:1])nc2ccc(Cl)cc12
O=c1[nH]c(CSc2nncs2)nc2ccc(Cl)cc12 c1nnc(s1)[*:1] O=c1[nH]c(CS[*:1])nc2ccc(Cl)cc12
Cc1ccc(CNC(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2c(ccnc2n(C)c1=O)SCC(=O)NC[*:1]
Cc1ccc(CNC(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)C[*:1] Cn1c(=O)c2c(ccnc2n(C)c1=O)SCC(=O)N[*:1]
COC(=O)[C@H]1CCN(C(=O)C2CCCCCC2)c2ccccc21 COC(=O)[*:1] O=C(C1CCCCCC1)N1CC[C@@H](c2ccccc21)[*:1]
COC(=O)[C@H]1CCN(C(=O)C2CCCCCC2)c2ccccc21 C1CCCC(CC1)[*:1] COC(=O)[C@H]1CCN(C(=O)[*:1])c2ccccc21
CC(=O)N(C)CC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(=O)N(C)CC(=O)NCC(C)(C)c1cccc(c1)[*:1]
CC(=O)N(C)CC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 CC(=O)N(C)[*:1] CC(C)(CNC(=O)C[*:1])c1cccc(c1)C(F)(F)F
CC(=O)N(C)CC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 CC(=O)N(C)C[*:1] CC(C)(CNC(=O)[*:1])c1cccc(c1)C(F)(F)F
CCCCNC(=S)Nc1ccccc1CC CCCC[*:1] CCc1ccccc1NC(=S)N[*:1]
CCCCNC(=S)Nc1ccccc1CC CCC[*:1] CCc1ccccc1NC(=S)NC[*:1]
CC(=O)c1cccc(OCC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 CC(=O)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)COc1cccc(c1)[*:1]
CC(=O)c1cccc(OCC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 Cc1ccc(cc1F)[*:1] CC(=O)c1cccc(c1)OCC(=O)N[C@@H](C)[*:1]
Cc1ccc2c(CC(=O)NCCCNS(C)(=O)=O)coc2c1 CS(=O)(=O)NC[*:1] Cc1ccc2c(coc2c1)CC(=O)NCC[*:1]
Cc1ccc2c(CC(=O)NCCCNS(C)(=O)=O)coc2c1 CS(=O)(=O)N[*:1] Cc1ccc2c(coc2c1)CC(=O)NCCC[*:1]
Cc1ccc2c(CC(=O)NCCCNS(C)(=O)=O)coc2c1 CS(=O)(=O)NCC[*:1] Cc1ccc2c(coc2c1)CC(=O)NC[*:1]
NC(=O)c1ccc(NC[C@@H]2CCC[C@H]2CO)nn1 NC(=O)[*:1] OC[C@@H]1CCC[C@H]1CNc1ccc(nn1)[*:1]
COc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1cc(C)c(NC(=O)CN(S(C)(=O)=O)[*:1])c(C)c1
COc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)cc1Cl Cc1cc(C)c(c(C)c1)[*:1] COc1ccc(cc1Cl)N(CC(=O)N[*:1])S(C)(=O)=O
FC(F)(F)c1cccc(C2(C[NH2+][C@H]3CCOC3)CCOCC2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])C1(CCOCC1)C[NH2+][C@H]1CCOC1
CCc1ccc(N2C[C@H](c3nnc(NC(=O)c4cccs4)s3)CC2=O)cc1 c1csc(c1)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])s1
CCc1ccc(N2C[C@H](c3nnc(NC(=O)c4cccs4)s3)CC2=O)cc1 O=C(N[*:1])c1cccs1 CCc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(s1)[*:1]
CCc1ccc(N2C[C@H](c3nnc(NC(=O)c4cccs4)s3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1])c1cccs1
O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=C(Nc1cccc(c1)Cn1cccnc1=O)N1CCN(CC1)C[*:1]
O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(Nc1cccc(c1)Cn1cccnc1=O)N1CCN(CC1)CC[*:1]
O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCN(CCOc2ccccc2)CC1 O=c1ncccn1[*:1] O=C(Nc1cccc(c1)C[*:1])N1CCN(CCOc2ccccc2)CC1
O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)OCC[*:1] O=C(Nc1cccc(c1)Cn1cccnc1=O)N1CCN(CC1)[*:1]
O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)Cn1cccnc1=O)N1CCN(CCO[*:1])CC1
O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCN(CCOc2ccccc2)CC1 O=c1ncccn1C[*:1] O=C(Nc1cccc(c1)[*:1])N1CCN(CCOc2ccccc2)CC1
C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1Cc2ccccc2S1 c1coc(c1)[*:1] C[C@@H](CC[*:1])[NH2+]C[C@@H]1Cc2ccccc2S1
C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1Cc2ccccc2S1 c1coc(c1)C[*:1] C[C@@H](C[*:1])[NH2+]C[C@@H]1Cc2ccccc2S1
Cc1nn2ncc(C(=O)NCC3CCC(C(=O)Nc4ccccc4)CC3)c2[nH]1 c1ccc(cc1)[*:1] Cc1nn2ncc(C(=O)NCC3CCC(CC3)C(=O)N[*:1])c2[nH]1
Cc1nn2ncc(C(=O)NCC3CCC(C(=O)Nc4ccccc4)CC3)c2[nH]1 O=C(Nc1ccccc1)[*:1] Cc1nn2ncc(C(=O)NCC3CCC(CC3)[*:1])c2[nH]1
COc1ccc(-n2nc(C)c3c4c(cnc32)C(=O)N(c2cccc(C(F)(F)F)c2)C4=O)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-n1nc(C)c2c3C(=O)N(C(=O)c3cnc21)c1cccc(c1)[*:1]
COc1ccc(-n2nc(C)c3c4c(cnc32)C(=O)N(c2cccc(C(F)(F)F)c2)C4=O)cc1 COc1ccc(cc1)[*:1] Cc1nn(c2ncc3C(=O)N(C(=O)c3c12)c1cccc(c1)C(F)(F)F)[*:1]
COc1ccc(-n2nc(C)c3c4c(cnc32)C(=O)N(c2cccc(C(F)(F)F)c2)C4=O)cc1 FC(F)(F)c1cccc(c1)[*:1] COc1ccc(cc1)-n1nc(C)c2c3C(=O)N(C(=O)c3cnc21)[*:1]
Cc1ccc(CN2C(=O)/C(=C/C(=O)NCc3ccco3)Sc3ccccc32)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CN1C(=O)/C(=C/C(=O)NC[*:1])Sc2ccccc21
Cc1ccc(CN2C(=O)/C(=C/C(=O)NCc3ccco3)Sc3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(/C=C1\Sc2ccccc2N(C[*:1])C1=O)NCc1ccco1
Cc1ccc(CN2C(=O)/C(=C/C(=O)NCc3ccco3)Sc3ccccc32)cc1 O=C(NCc1ccco1)[*:1] Cc1ccc(cc1)CN1C(=O)C(=C[*:1])Sc2ccccc21
Cc1ccc(CN2C(=O)/C(=C/C(=O)NCc3ccco3)Sc3ccccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(/C=C1\Sc2ccccc2N(C1=O)[*:1])NCc1ccco1
Cc1ccc(CN2C(=O)/C(=C/C(=O)NCc3ccco3)Sc3ccccc32)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)CN1C(=O)/C(=C/C(=O)N[*:1])Sc2ccccc21
CNC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1C CNC(=O)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)Nc1cccc(c1C)[*:1]
CNC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1C Cc1ccc(cc1F)[*:1] CNC(=O)c1cccc(NC(=O)N[C@@H](C)[*:1])c1C
CC(=O)NC(=S)NCc1ccc(-c2nc3ccccc3s2)cc1 CC(=O)NC(=S)N[*:1] c1ccc2sc(nc2c1)-c1ccc(cc1)C[*:1]
Cc1cccc(N2C[C@@H](C(=O)OCC(=O)N3CCc4ccccc43)CC2=O)c1C Cc1cccc(c1C)[*:1] O=C(OCC(=O)N1CCc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
COc1cc([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)ccc1SC(F)F FC(F)S[*:1] COc1cc(ccc1[*:1])[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1
COc1cc([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)ccc1SC(F)F FC(F)[*:1] COc1cc(ccc1S[*:1])[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1
O=C(c1ccncc1)N1CCN(CCc2c(F)cccc2Cl)CC1 Fc1cccc(Cl)c1[*:1] O=C(c1ccncc1)N1CCN(CC1)CC[*:1]
O=C(c1ccncc1)N1CCN(CCc2c(F)cccc2Cl)CC1 c1cc(ccn1)[*:1] O=C(N1CCN(CCc2c(F)cccc2Cl)CC1)[*:1]
CC1(C)NC(=O)N(C[C@H](O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1=O O=S1(=O)CC[C@H](C1)[*:1] CC1(C)NC(=O)N(C[C@H](O)CN2CCN(CC2)[*:1])C1=O
COCC[C@@H](C)C(=O)N(CC(F)(F)F)c1ccccn1 c1ccc(nc1)[*:1] COCC[C@@H](C)C(=O)N(CC(F)(F)F)[*:1]
COCC[C@@H](C)C(=O)N(CC(F)(F)F)c1ccccn1 COC[*:1] C[C@H](C[*:1])C(=O)N(CC(F)(F)F)c1ccccn1
COCC[C@@H](C)C(=O)N(CC(F)(F)F)c1ccccn1 FC(F)(F)C[*:1] COCC[C@@H](C)C(=O)N(c1ccccn1)[*:1]
COCC[C@@H](C)C(=O)N(CC(F)(F)F)c1ccccn1 COCC[C@@H](C)[*:1] O=C(N(CC(F)(F)F)c1ccccn1)[*:1]
COCC[C@@H](C)C(=O)N(CC(F)(F)F)c1ccccn1 COCC[*:1] C[C@@H](C(=O)N(CC(F)(F)F)c1ccccn1)[*:1]
COCC[C@@H](C)C(=O)N(CC(F)(F)F)c1ccccn1 FC(F)(F)[*:1] COCC[C@@H](C)C(=O)N(C[*:1])c1ccccn1
COc1ccc(NC(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)N[*:1]
COc1ccc(NC(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)c(OC)c1 Fc1ccc(cc1)[*:1] COc1ccc(NC(=O)CCn2cnc3onc(c3c2=O)[*:1])c(c1)OC
Cn1cc(C(=O)NC2CCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cn1 Cn1cc(cn1)C(=O)N[*:1] O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCC(CC1)[*:1]
Cn1cc(C(=O)NC2CCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cn1 Cn1cc(cn1)[*:1] O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCC(CC1)NC(=O)[*:1]
C=CC[NH2+]CC(=O)N1CCCC[C@@H]1C(=O)NC CNC(=O)[*:1] C=CC[NH2+]CC(=O)N1CCCC[C@H]1[*:1]
Cn1c(C(=O)NCCOc2ccccc2)cc2cnc3[nH]ccc3c21 c1ccc(cc1)O[*:1] Cn1c(cc2cnc3[nH]ccc3c21)C(=O)NCC[*:1]
Cn1c(C(=O)NCCOc2ccccc2)cc2cnc3[nH]ccc3c21 c1ccc(cc1)[*:1] Cn1c(cc2cnc3[nH]ccc3c21)C(=O)NCCO[*:1]
Cn1c(C(=O)NCCOc2ccccc2)cc2cnc3[nH]ccc3c21 c1ccc(cc1)OC[*:1] Cn1c(cc2cnc3[nH]ccc3c21)C(=O)NC[*:1]
CCNC(=O)NC(=O)[C@@H](C)N[C@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] CCNC(=O)NC(=O)[C@@H](C)N[C@](C)(C(=O)[O-])[*:1]
CCNC(=O)NC(=O)[C@@H](C)N[C@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] CCNC(=O)NC(=O)[C@@H](C)N[C@](C)(C(F)(F)F)[*:1]
CCC1(CC)[C@@H](NC(=O)[C@@H]2CCOC2)[C@@H](C)[C@@H]1OC C1C[C@H](CO1)[*:1] CCC1(CC)[C@@H](NC(=O)[*:1])[C@@H](C)[C@@H]1OC
COc1ccc(N2CCN(C(=O)C3CCCC3)[C@@H](C)C2=O)c(OC)c1 C1CCC(C1)[*:1] COc1ccc(c(c1)OC)N1CCN(C(=O)[*:1])[C@@H](C)C1=O
O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(CCc2ccccc2)s1 c1ccc(cc1)C[*:1] O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(C[*:1])s1
O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(CCc2ccccc2)s1 c1ccc(cc1)CC[*:1] O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(s1)[*:1]
O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(CCc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1nnc(CC[*:1])s1
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cc2c(cc1Cl)OCCCO2 Cc1n[nH]c(C)c1C[*:1] C[C@H](C(=O)Nc1cc2OCCCOc2cc1Cl)[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cc2c(cc1Cl)OCCCO2 Cc1n[nH]c(C)c1[*:1] C[C@@H](C[*:1])C(=O)Nc1cc2OCCCOc2cc1Cl
O=C(/C=C/c1ccccc1)Nc1ccc(O)cc1C(=O)[O-] c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ccc(O)cc1C(=O)[O-]
O=C(/C=C/c1ccccc1)Nc1ccc(O)cc1C(=O)[O-] O=C([O-])[*:1] O=C(/C=C/c1ccccc1)Nc1ccc(O)cc1[*:1]
O=C(CCc1ccccc1)Oc1ccc(O[C@@H]2CCCCNC2=O)cc1 c1ccc(cc1)C[*:1] O=C(C[*:1])Oc1ccc(cc1)O[C@@H]1CCCCNC1=O
O=C(CCc1ccccc1)Oc1ccc(O[C@@H]2CCCCNC2=O)cc1 c1ccc(cc1)[*:1] O=C(CC[*:1])Oc1ccc(cc1)O[C@@H]1CCCCNC1=O
O=C(CCc1ccccc1)Oc1ccc(O[C@@H]2CCCCNC2=O)cc1 c1ccc(cc1)CC[*:1] O=C1NCCCC[C@H]1Oc1ccc(cc1)OC(=O)[*:1]
Cc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2cccc(Cl)c2)cc1C Cc1ccc(cc1C)[*:1] Cc1nn(c2NC(=O)C[C@@H](C(=O)c3cccc(Cl)c3)c12)[*:1]
Cc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2cccc(Cl)c2)cc1C Clc1cccc(c1)[*:1] Cc1ccc(cc1C)-n1nc(C)c2c1NC(=O)C[C@H]2C(=O)[*:1]
Cc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2cccc(Cl)c2)cc1C O=C(c1cccc(Cl)c1)[*:1] Cc1ccc(cc1C)-n1nc(C)c2c1NC(=O)C[C@@H]2[*:1]
CCOCc1ccc(CNC(=O)N(C)Cc2ccc(F)cc2)cc1 CCO[*:1] CN(Cc1ccc(F)cc1)C(=O)NCc1ccc(cc1)C[*:1]
CCOCc1ccc(CNC(=O)N(C)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CCOCc1ccc(cc1)CNC(=O)N(C)[*:1]
CCOCc1ccc(CNC(=O)N(C)Cc2ccc(F)cc2)cc1 CCOC[*:1] CN(Cc1ccc(F)cc1)C(=O)NCc1ccc(cc1)[*:1]
CCOCc1ccc(CNC(=O)N(C)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCOCc1ccc(cc1)CNC(=O)N(C)C[*:1]
COc1ccc2nc(N3CC(C(=O)NC4CC4)C3)sc2c1 O=C(NC1CC1)[*:1] COc1ccc2nc(sc2c1)N1CC(C1)[*:1]
COc1ccc2nc(N3CC(C(=O)NC4CC4)C3)sc2c1 C1CC1[*:1] COc1ccc2nc(sc2c1)N1CC(C1)C(=O)N[*:1]
C[S@](=O)Cc1cccc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1 c1ccc(cc1)[*:1] C[S@](=O)Cc1cccc(c1)C(=O)Nc1cnn(c1)C[*:1]
C[S@](=O)Cc1cccc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1 c1ccc(cc1)C[*:1] C[S@](=O)Cc1cccc(c1)C(=O)Nc1cnn(c1)[*:1]
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] CN(CC12CC3CC(CC(C3)C1)C2)C(=O)N[*:1]
Cc1ccccc1OCC(=O)NNc1cc(C#N)cc(Cl)n1 Cc1ccccc1[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)CO[*:1]
C[C@H](O)CN1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 C[C@H](O)[*:1] C[C@H](c1ccc(F)c(F)c1)N1CCN(CC1)C[*:1]
C[C@H](O)CN1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 C[C@H](O)C[*:1] C[C@H](c1ccc(F)c(F)c1)N1CCN(CC1)[*:1]
O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1ccccc1[*:1]
O=C(NCC[NH+]1CCCCC1)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(NCC[NH+]1CCCCC1)N1CCC[C@@H]1C[*:1]
O=C(NCC[NH+]1CCCCC1)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(NCC[NH+]1CCCCC1)N1CCC[C@H]1[*:1]
Cc1c2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3ccc(F)c(Cl)c3)c2nn1C Fc1ccc(cc1Cl)[*:1] Cc1c2c(cc(=O)n(CCC(=O)N[*:1])c2nn1C)C(F)(F)F
Cc1c2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3ccc(F)c(Cl)c3)c2nn1C FC(F)(F)[*:1] Cc1c2c(cc(=O)n(CCC(=O)Nc3ccc(F)c(Cl)c3)c2nn1C)[*:1]
CCc1nn(C)cc1NC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)N1C[C@H](C(C)(C)C1)[*:1]
CCc1nn(C)cc1NC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 CCc1nn(C)cc1[*:1] CC1(C)CN(C[C@@H]1c1ccccc1)C(=O)N[*:1]
CC(C)(C)OC(=O)N1CCOC2(C[NH2+]C2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCOC2(C[NH2+]C2)C1
[NH3+]Cc1ccc(C(F)(F)F)nc1OCc1ccco1 FC(F)(F)[*:1] [NH3+]Cc1ccc(nc1OCc1ccco1)[*:1]
[NH3+]Cc1ccc(C(F)(F)F)nc1OCc1ccco1 c1coc(c1)C[*:1] [NH3+]Cc1ccc(nc1O[*:1])C(F)(F)F
[NH3+]Cc1ccc(C(F)(F)F)nc1OCc1ccco1 c1coc(c1)[*:1] [NH3+]Cc1ccc(nc1OC[*:1])C(F)(F)F
Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl CS(=O)(=O)[*:1] Cc1ccc(cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
CNC(=O)C[NH+](C)Cc1nc(-c2ccc(OC)cc2F)oc1C CNC(=O)[*:1] COc1ccc(-c2nc(C[NH+](C)C[*:1])c(C)o2)c(F)c1
CNC(=O)C[NH+](C)Cc1nc(-c2ccc(OC)cc2F)oc1C CNC(=O)C[*:1] COc1ccc(-c2nc(C[NH+](C)[*:1])c(C)o2)c(F)c1
CO[C@@H](C[NH2+]CC(N)=O)c1ccccc1 NC(=O)C[*:1] CO[C@@H](C[NH2+][*:1])c1ccccc1
CO[C@@H](C[NH2+]CC(N)=O)c1ccccc1 NC(=O)[*:1] CO[C@@H](C[NH2+]C[*:1])c1ccccc1
Cn1cccc1C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 Cn1cccc1[*:1] O=C(C1CCC1)N1CCCn2nc(cc2C1)CNC(=O)[*:1]
Cn1cccc1C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 C1CC(C1)[*:1] Cn1cccc1C(=O)NCc1cc2CN(CCCn2n1)C(=O)[*:1]
CC(C)(C)C(=O)Nc1nnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CC(C)(C)C(=O)Nc1nnc(s1)[*:1]
CC(C)(C)C(=O)Nc1nnc([C@@H]2CCCO2)s1 CC(C)(C)[*:1] O=C(Nc1nnc(s1)[C@@H]1CCCO1)[*:1]
Cc1c(C(=O)Nc2cccc(C#N)c2)sc2nc3n(c(=O)c12)CCCCC3 N#Cc1cccc(c1)[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)N[*:1]
Cc1cccc2nc(C(=O)N3CCN(CCc4ccccc4)CC3)cn12 c1ccc(cc1)[*:1] Cc1cccc2nc(cn12)C(=O)N1CCN(CC1)CC[*:1]
Cc1cccc2nc(C(=O)N3CCN(CCc4ccccc4)CC3)cn12 c1ccc(cc1)C[*:1] Cc1cccc2nc(cn12)C(=O)N1CCN(CC1)C[*:1]
Cc1cccc2nc(C(=O)N3CCN(CCc4ccccc4)CC3)cn12 c1ccc(cc1)CC[*:1] Cc1cccc2nc(cn12)C(=O)N1CCN(CC1)[*:1]
COCC[NH+](C)CC(=O)Nc1c(C)cc(C)cc1Cl COCC[*:1] Cc1cc(C)c(NC(=O)C[NH+](C)[*:1])c(Cl)c1
COCC[NH+](C)CC(=O)Nc1c(C)cc(C)cc1Cl COC[*:1] Cc1cc(C)c(NC(=O)C[NH+](C)C[*:1])c(Cl)c1
COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C)C(=O)C(C)C)c1C CC(C)C(=O)N(C)[*:1] COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)[*:1])c1C
COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C)C(=O)C(C)C)c1C COC(=O)[*:1] Cc1[nH]c(c(C)c1C(=O)[C@@H](C)N(C)C(=O)C(C)C)[*:1]
COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C)C(=O)C(C)C)c1C CC(C)[*:1] COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C)C(=O)[*:1])c1C
CC[C@@H](C)CN(CC)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC[C@@H](C)CN(CC)C(=O)Nc1ccc(F)c(c1)[*:1]
CC[C@@H](C)CN(CC)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC[C@@H](C)[*:1] CCN(C[*:1])C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C
CC[C@@H](C)CN(CC)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC[C@@H](C)C[*:1] CCN(C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C)[*:1]
CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CCn1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1nc(C)c(C)s1
CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc2c(c1)OCO2 Cc1nc(sc1C)[*:1] CCn1c(nnc1-c1ccc2OCOc2c1)S[C@@H](C)C(=O)N[*:1]
O=C(Nc1ccc(F)cc1)[C@H]1C[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 Fc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1C[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12
Cc1sc(C(=O)N(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] CS(=O)(=O)[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)N(C)[C@H]1CCC[C@H]1[*:1]
Cc1sc(C(=O)N(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1sc(cc1[*:1])C(=O)N(C)[C@H]1CCC[C@@H]1S(C)(=O)=O
C[C@@H](Sc1nnnn1-c1cccc(F)c1)c1nc2ccccc2c(=O)[nH]1 Fc1cccc(c1)[*:1] C[C@@H](Sc1nnnn1[*:1])c1nc2ccccc2c(=O)[nH]1
Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 Cn1c(=O)oc2cc(ccc21)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)[*:1]
Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](C[*:1])NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 Cc1cc(C)cc(c1)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[*:1]
Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 Cc1cc(C)cc(c1)NC(=O)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N[C@@H](Cc1ccccc1)[*:1]
Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)[*:1]
COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 Cc1ccc(nc1)[*:1] COC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 COC(=O)[*:1] Cc1ccc(nc1)-n1c(nc2ccccc2c1=O)SC[*:1]
COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 COC(=O)CS[*:1] Cc1ccc(nc1)-n1c(nc2ccccc2c1=O)[*:1]
COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 COC(=O)C[*:1] Cc1ccc(nc1)-n1c(nc2ccccc2c1=O)S[*:1]
COC(=O)c1cc(C)ccc1NC(=O)c1cccc2ncccc12 COC(=O)[*:1] Cc1ccc(NC(=O)c2cccc3ncccc23)c(c1)[*:1]
O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(COc1ccccc1)N1CCC(CC1)CNC(=O)[*:1]
O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1c(F)cccc1F c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)CO[*:1])c1c(F)cccc1F
O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1c(F)cccc1F c1ccc(cc1)OC[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1c(F)cccc1F
O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1c(F)cccc1F c1ccc(cc1)O[*:1] O=C(NCC1CCN(CC1)C(=O)C[*:1])c1c(F)cccc1F
C[C@@H]1CCC[C@H](CNc2ccc(C(=O)N(C)C3CCOCC3)cc2)C1 C1CC(CCO1)[*:1] C[C@@H]1CCC[C@H](CNc2ccc(cc2)C(=O)N(C)[*:1])C1
C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])n1cnc2ccccc21 O=[N+]([O-])[*:1] C[C@H](C(=O)NCCNc1ccccc1[*:1])n1cnc2ccccc21
CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2cccc3cnccc23)CC1 CC[C@H](C)NC(=O)[*:1] O=C(Nc1cccc2cnccc12)N1CCN(CC1)C[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2cccc3cnccc23)CC1 CC[C@H](C)NC(=O)C[*:1] O=C(Nc1cccc2cnccc12)N1CCN(CC1)[*:1]
COC[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)Cc1coc(n1)-c1ccc(Cl)cc1)[*:1]
COC[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(N)=O Clc1ccc(cc1)[*:1] COC[C@H](NC(=O)Cc1coc(n1)[*:1])C(N)=O
COC[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(N)=O COC[*:1] NC(=O)[C@@H](NC(=O)Cc1coc(n1)-c1ccc(Cl)cc1)[*:1]
CC[C@H](C)C(=O)N1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1 FC(F)(F)[*:1] CC[C@H](C)C(=O)N1CCc2ccc(cc2C1)NC(=O)c1ccc(cc1)[*:1]
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1OC Fc1ccc(cc1)[*:1] COc1cccc(/C=N/NC(=O)C(=O)N[*:1])c1OC
COc1cc(CN2CCN(C(=O)c3cccnc3)CC2)cc(OC)c1O c1cncc(c1)[*:1] COc1cc(cc(OC)c1O)CN1CCN(CC1)C(=O)[*:1]
Cc1ccccc1Cn1nc(C(C)C)c([N+](=O)[O-])c1N CC(C)[*:1] Cc1ccccc1Cn1nc(c(c1N)[N+](=O)[O-])[*:1]
Cc1ccccc1Cn1nc(C(C)C)c([N+](=O)[O-])c1N O=[N+]([O-])[*:1] Cc1ccccc1Cn1nc(c(c1N)[*:1])C(C)C
CC(=O)Nc1cc(C(=O)N[C@H]2CCCC[C@H]2OCCC(C)C)ccc1F CC(C)CCO[*:1] CC(=O)Nc1cc(ccc1F)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CC(=O)Nc1cc(C(=O)N[C@H]2CCCC[C@H]2OCCC(C)C)ccc1F CC(C)CC[*:1] CC(=O)Nc1cc(ccc1F)C(=O)N[C@H]1CCCC[C@H]1O[*:1]
CC(=O)Nc1cc(C(=O)N[C@H]2CCCC[C@H]2OCCC(C)C)ccc1F CC(C)C[*:1] CC(=O)Nc1cc(ccc1F)C(=O)N[C@H]1CCCC[C@H]1OC[*:1]
CC(=O)Nc1cc(C(=O)N[C@H]2CCCC[C@H]2OCCC(C)C)ccc1F CC(C)[*:1] CC(=O)Nc1cc(ccc1F)C(=O)N[C@H]1CCCC[C@H]1OCC[*:1]
CC(=O)Nc1cc(C(=O)N[C@H]2CCCC[C@H]2OCCC(C)C)ccc1F CC(=O)N[*:1] CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(c1)[*:1]
CCOC(=O)NCCC(=O)N1CCN(Cc2cc(C)no2)CC1 CCOC(=O)NC[*:1] Cc1cc(CN2CCN(CC2)C(=O)C[*:1])on1
CCOC(=O)NCCC(=O)N1CCN(Cc2cc(C)no2)CC1 Cc1cc(on1)[*:1] CCOC(=O)NCCC(=O)N1CCN(CC1)C[*:1]
CCOC(=O)NCCC(=O)N1CCN(Cc2cc(C)no2)CC1 Cc1cc(C[*:1])on1 CCOC(=O)NCCC(=O)N1CCN(CC1)[*:1]
CCOC(=O)NCCC(=O)N1CCN(Cc2cc(C)no2)CC1 CCOC(=O)N[*:1] Cc1cc(CN2CCN(CC2)C(=O)CC[*:1])on1
C[C@H](SCc1csc(-c2ccccc2)n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H](SCc1csc(n1)-c1ccccc1)C(=O)N[*:1]
C[C@H](SCc1csc(-c2ccccc2)n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] C[C@H](SCc1csc(n1)[*:1])C(=O)N[C@@H]1CCS(=O)(=O)C1
O=C(c1cnc(Cc2ccccc2)s1)N1C[C@H]2CC=CC[C@@H]2C1 c1ccc(cc1)C[*:1] O=C(c1cnc(s1)[*:1])N1C[C@H]2CC=CC[C@@H]2C1
O=C(c1cnc(Cc2ccccc2)s1)N1C[C@H]2CC=CC[C@@H]2C1 c1ccc(cc1)[*:1] O=C(c1cnc(C[*:1])s1)N1C[C@H]2CC=CC[C@@H]2C1
COc1ccc(-c2nc(C(=O)NCc3nnc4n3CCC4)cs2)cc1OC C1Cc2nnc(n2C1)[*:1] COc1ccc(cc1OC)-c1nc(cs1)C(=O)NC[*:1]
COc1ccc(-c2nc(C(=O)NCc3nnc4n3CCC4)cs2)cc1OC C1Cc2nnc(C[*:1])n2C1 COc1ccc(cc1OC)-c1nc(cs1)C(=O)N[*:1]
CC(C)CCCNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 CC(C)CCC[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[*:1]
CC(C)CCCNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 CC(C)C[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCC[*:1]
CC(C)CCCNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 CC(C)CC[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NC[*:1]
CC(C)CCCNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 CC(C)[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCCC[*:1]
c1ccc(N[C@@H]2CCN(Cc3ccn[nH]3)C2)cc1 c1cc([nH]n1)[*:1] c1ccc(cc1)N[C@@H]1CCN(C1)C[*:1]
c1ccc(N[C@@H]2CCN(Cc3ccn[nH]3)C2)cc1 c1cc(C[*:1])[nH]n1 c1ccc(cc1)N[C@@H]1CCN(C1)[*:1]
c1ccc(N[C@@H]2CCN(Cc3ccn[nH]3)C2)cc1 c1ccc(cc1)[*:1] c1cc(CN2CC[C@H](C2)N[*:1])[nH]n1
Cn1nc(-c2ccccc2)cc1C(=O)NCC1(CO)CC1 OCC1(CC1)C[*:1] Cn1nc(cc1C(=O)N[*:1])-c1ccccc1
Cn1nc(-c2ccccc2)cc1C(=O)NCC1(CO)CC1 OCC1(CC1)[*:1] Cn1nc(cc1C(=O)NC[*:1])-c1ccccc1
Cn1nc(-c2ccccc2)cc1C(=O)NCC1(CO)CC1 c1ccc(cc1)[*:1] Cn1nc(cc1C(=O)NCC1(CO)CC1)[*:1]
O=C1OC(/C=C\c2ccccc2)=N/C1=C\c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1OC(/C=C\c2ccccc2)=N/C/1=C[*:1]
O=C1OC(/C=C\c2ccccc2)=N/C1=C\c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C1O/C(C=C[*:1])=N/C1=C\c1cccc(Cl)c1
O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccon1 c1cc(no1)[*:1] O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
COc1ccc(C(=O)N(CCCl)C2CCCCC2)cc1O C1CCC(CC1)[*:1] COc1ccc(cc1O)C(=O)N(CCCl)[*:1]
COc1ccc(C(=O)N(CCCl)C2CCCCC2)cc1O ClCC[*:1] COc1ccc(cc1O)C(=O)N(C1CCCCC1)[*:1]
C=CCN(C(=O)Cn1c(C)csc1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 Cc1csc(=O)n1C[*:1] C=CCN(C(=O)[*:1])c1nc(cs1)-c1ccc(cc1)[N+](=O)[O-]
C=CCN(C(=O)Cn1c(C)csc1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])c1ccc(cc1)[*:1] C=CCN(C(=O)Cn1c(C)csc1=O)c1nc(cs1)[*:1]
C=CCN(C(=O)Cn1c(C)csc1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])[*:1] C=CCN(C(=O)Cn1c(C)csc1=O)c1nc(cs1)-c1ccc(cc1)[*:1]
C=CCN(C(=O)Cn1c(C)csc1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 Cc1csc(=O)n1[*:1] C=CCN(C(=O)C[*:1])c1nc(cs1)-c1ccc(cc1)[N+](=O)[O-]
C=CCN(C(=O)Cn1c(C)csc1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 C=CC[*:1] Cc1csc(=O)n1CC(=O)N(c1nc(cs1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
CCCNC(=O)c1cccc(CNS(=O)(=O)c2ncn(C)c2Cl)c1 Cn1cnc(c1Cl)[*:1] CCCNC(=O)c1cccc(c1)CNS(=O)(=O)[*:1]
CCCNC(=O)c1cccc(CNS(=O)(=O)c2ncn(C)c2Cl)c1 CCC[*:1] Cn1cnc(c1Cl)S(=O)(=O)NCc1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(CNS(=O)(=O)c2ncn(C)c2Cl)c1 CCCNC(=O)[*:1] Cn1cnc(c1Cl)S(=O)(=O)NCc1cccc(c1)[*:1]
O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 c1coc(c1)[*:1] O=C(NC1CCCCC1)[C@H]1CCCN(C1)C(=O)[C@@H]1C[C@@H]1[*:1]
O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)[C@@H]1C[C@H]1c1ccco1
CC[C@H]1CCc2c(sc3ncn4nc(CCn5nc(C(F)(F)F)cc5C)nc4c23)C1 Cc1cc(nn1[*:1])C(F)(F)F CC[C@H]1CCc2c(C1)sc1ncn3nc(CC[*:1])nc3c21
CC[C@H]1CCc2c(sc3ncn4nc(CCn5nc(C(F)(F)F)cc5C)nc4c23)C1 FC(F)(F)[*:1] CC[C@H]1CCc2c(C1)sc1ncn3nc(CCn4nc(cc4C)[*:1])nc3c21
CN(Cc1ccccc1)C(=O)c1ccc2c(n1)NC(=O)CC2 c1ccc(cc1)C[*:1] CN(C(=O)c1ccc2CCC(=O)Nc2n1)[*:1]
CN(Cc1ccccc1)C(=O)c1ccc2c(n1)NC(=O)CC2 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc2CCC(=O)Nc2n1
CCOC(=O)c1cc2sccc2n1CC(=O)N1CCc2ccccc21 CCOC(=O)[*:1] O=C(Cn1c(cc2sccc21)[*:1])N1CCc2ccccc21
O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1ccccc1C(F)(F)F)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2cccs2)CC1 FC(F)(F)[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)S(=O)(=O)c1cccs1
CN(C(=O)Cn1c(=O)oc2ccccc21)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)Cn1c(=O)oc2ccccc21)[*:1]
CC(C)[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H]([NH2+]Cc1ccc(cc1)OC(F)(F)F)[*:1]
CC(C)[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccccn1 CC(C)[*:1] FC(F)(F)Oc1ccc(cc1)C[NH2+][C@H](c1ccccn1)[*:1]
CC(C)[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccccn1 FC(F)(F)O[*:1] CC(C)[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccn1
CC(C)[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccccn1 FC(F)(F)[*:1] CC(C)[C@H]([NH2+]Cc1ccc(cc1)O[*:1])c1ccccn1
C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[*:1]
C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccn1 C[C@@H](c1ccccn1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[*:1]
C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccn1 c1coc(c1)[*:1] C[C@@H](NC(=O)NC[C@H]([NH+]1CCCCC1)[*:1])c1ccccn1
COc1ccc(NC(=O)C(=O)Nc2c[nH]nc2C)cc1F Cc1n[nH]cc1[*:1] COc1ccc(cc1F)NC(=O)C(=O)N[*:1]
NC(=O)c1cn(CC(=O)NCCc2ccc(Cl)cc2Cl)c2ccccc12 Clc1ccc(c(Cl)c1)[*:1] NC(=O)c1cn(CC(=O)NCC[*:1])c2ccccc12
NC(=O)c1cn(CC(=O)NCCc2ccc(Cl)cc2Cl)c2ccccc12 NC(=O)[*:1] O=C(Cn1cc(c2ccccc21)[*:1])NCCc1ccc(Cl)cc1Cl
C[C@@H]1C[NH2+]CCN1CC(F)(F)F FC(F)(F)[*:1] C[C@@H]1C[NH2+]CCN1C[*:1]
C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cnn(C4CCCCC4)c3)CC2)S1 C1CCC(CC1)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)c1cnn(c1)[*:1]
N#CC1(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CCOCC1 c1ccc(cc1)[*:1] N#CC1(CCOCC1)NC(=O)c1cc(cc(Cl)c1O)[*:1]
N#CC1(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CCOCC1 N#CC1(CCOCC1)[*:1] O=C(N[*:1])c1cc(cc(Cl)c1O)-c1ccccc1
CCS(=O)(=O)CCN(C)C(=O)c1cc(C2CC2)nc2onc(C)c12 CCS(=O)(=O)C[*:1] Cc1noc2nc(cc(C(=O)N(C)C[*:1])c12)C1CC1
CCS(=O)(=O)CCN(C)C(=O)c1cc(C2CC2)nc2onc(C)c12 CCS(=O)(=O)[*:1] Cc1noc2nc(cc(C(=O)N(C)CC[*:1])c12)C1CC1
CCS(=O)(=O)CCN(C)C(=O)c1cc(C2CC2)nc2onc(C)c12 C1CC1[*:1] CCS(=O)(=O)CCN(C)C(=O)c1cc(nc2onc(C)c12)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1cc(C2CC2)nc2onc(C)c12 CCS(=O)(=O)CC[*:1] Cc1noc2nc(cc(C(=O)N(C)[*:1])c12)C1CC1
Cc1ccc(-c2nnco2)cc1NC(=O)N1CCNC(=O)[C@@H]1C(C)C c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)N1CCNC(=O)[C@@H]1C(C)C)[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)N1CCNC(=O)[C@@H]1C(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)N1CCNC(=O)[C@H]1[*:1])-c1nnco1
CN(Cc1nccn1Cc1ccccc1)C(=O)CCc1ccco1 c1ccc(cc1)[*:1] CN(Cc1nccn1C[*:1])C(=O)CCc1ccco1
CN(Cc1nccn1Cc1ccccc1)C(=O)CCc1ccco1 c1ccc(cc1)C[*:1] CN(Cc1nccn1[*:1])C(=O)CCc1ccco1
CN(Cc1nccn1Cc1ccccc1)C(=O)CCc1ccco1 c1coc(c1)CC[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)[*:1]
CN(Cc1nccn1Cc1ccccc1)C(=O)CCc1ccco1 c1coc(c1)[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)CC[*:1]
CN(Cc1nccn1Cc1ccccc1)C(=O)CCc1ccco1 c1coc(c1)C[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)C[*:1]
CCC(CC)CNc1nccn(CC(C)C)c1=O CC(C)[*:1] CCC(CC)CNc1nccn(C[*:1])c1=O
CCC(CC)CNc1nccn(CC(C)C)c1=O CCC(CC)[*:1] CC(C)Cn1ccnc(NC[*:1])c1=O
CCC(CC)CNc1nccn(CC(C)C)c1=O CC(C)C[*:1] CCC(CC)CNc1nccn(c1=O)[*:1]
CCC(CC)CNc1nccn(CC(C)C)c1=O CCC(CC)C[*:1] CC(C)Cn1ccnc(N[*:1])c1=O
CCOC(=O)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)N1N=C2CCCC[C@H]2[C@@]1(O)[*:1]
C[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cnccn1 C[C@@H](O)C[*:1] C[C@H]([NH2+]CC(C)(C)[*:1])c1cnccn1
C[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cnccn1 C[C@@H](O)[*:1] C[C@H]([NH2+]CC(C)(C)C[*:1])c1cnccn1
Cc1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)n(C)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)c2ccc(=O)n(n2)[*:1])n(C)n1
Cc1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)n(C)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)c2ccc(=O)n(C[*:1])n2)n(C)n1
Cc1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[*:1])c1ccc(=O)n(Cc2ccccc2)n1
CC[C@@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)c1nc(C)n[nH]1 Clc1ccc(cc1)[*:1] CC[C@@H](NC(=O)C[C@@H](C)C[*:1])c1nc(C)n[nH]1
CC[C@@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)[*:1]
CCNC(=O)[C@H]1C[NH2+]CCN1[C@@H](C)C1(C)CC1 CCNC(=O)[*:1] C[C@H](N1CC[NH2+]C[C@@H]1[*:1])C1(C)CC1
CCNC(=O)[C@H]1C[NH2+]CCN1[C@@H](C)C1(C)CC1 CC1(CC1)[*:1] CCNC(=O)[C@H]1C[NH2+]CCN1[C@@H](C)[*:1]
Cc1cc(C#CCCO)ccc1OCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] Cc1cc(C#CCCO)ccc1OC[*:1]
Cc1cc(C#CCCO)ccc1OCc1ccc(O)cc1 OCC[*:1] Cc1cc(C#C[*:1])ccc1OCc1ccc(O)cc1
Cc1cc(C#CCCO)ccc1OCc1ccc(O)cc1 OCCC#C[*:1] Cc1cc(ccc1OCc1ccc(O)cc1)[*:1]
CN(Cc1cccc(Br)c1)[C@]1(C[NH3+])CC(C)(C)OC1(C)C Brc1cccc(c1)[*:1] CN(C[*:1])[C@]1(C[NH3+])CC(C)(C)OC1(C)C
CNC(=O)NCCn1c(C)nc2cc(C(=O)N3CCCCCC3)ccc21 CNC(=O)NCC[*:1] Cc1nc2cc(ccc2n1[*:1])C(=O)N1CCCCCC1
CNC(=O)NCCn1c(C)nc2cc(C(=O)N3CCCCCC3)ccc21 CNC(=O)NC[*:1] Cc1nc2cc(ccc2n1C[*:1])C(=O)N1CCCCCC1
CNC(=O)NCCn1c(C)nc2cc(C(=O)N3CCCCCC3)ccc21 CNC(=O)N[*:1] Cc1nc2cc(ccc2n1CC[*:1])C(=O)N1CCCCCC1
Cc1ccc(-c2nnco2)cc1NC(=O)NCC1CCC(C)(C)CC1 c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)NCC1CCC(C)(C)CC1)[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)NCC1CCC(C)(C)CC1 CC1(C)CCC(CC1)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])-c1nnco1
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC[C@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] O=C(/C=C/c1cn(nc1[*:1])-c1ccccc1)NC[C@H]1CCS(=O)(=O)C1
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(/C=C/c1cn(nc1-c1cccs1)[*:1])NC[C@H]1CCS(=O)(=O)C1
CC(C)[C@@H]([NH2+][C@@H]1CSCC(C)(C)C1)C(=O)[O-] CC(C)[*:1] CC1(C)CSC[C@H](C1)[NH2+][C@@H](C(=O)[O-])[*:1]
CC(C)[C@@H]([NH2+][C@@H]1CSCC(C)(C)C1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H]([NH2+][C@@H]1CSCC(C)(C)C1)[*:1]
CCc1ccc([C@H](C)NC(=O)[C@@H](C)SCc2cc(C)on2)cc1 Cc1cc(no1)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)[C@@H](C)SC[*:1]
CCc1ccc([C@H](C)NC(=O)[C@@H](C)SCc2cc(C)on2)cc1 Cc1cc(C[*:1])no1 CCc1ccc(cc1)[C@H](C)NC(=O)[C@@H](C)S[*:1]
O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2cc3ccccc3o2)o1 c1ccc2oc(cc2c1)[*:1] O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(o1)[*:1]
O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2cc3ccccc3o2)o1 Fc1ccc(cc1)[*:1] O=C(CCCS(=O)(=O)[*:1])Nc1nnc(o1)-c1cc2ccccc2o1
O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2cc3ccccc3o2)o1 O=S(=O)(c1ccc(F)cc1)[*:1] O=C(CCC[*:1])Nc1nnc(o1)-c1cc2ccccc2o1
Cc1ccsc1CNC(=O)Nc1cccc(Cl)c1C(=O)[O-] Cc1ccsc1C[*:1] O=C(Nc1cccc(Cl)c1C(=O)[O-])N[*:1]
Cc1ccsc1CNC(=O)Nc1cccc(Cl)c1C(=O)[O-] O=C([O-])[*:1] Cc1ccsc1CNC(=O)Nc1cccc(Cl)c1[*:1]
Cc1ccsc1CNC(=O)Nc1cccc(Cl)c1C(=O)[O-] Cc1ccsc1[*:1] O=C(NC[*:1])Nc1cccc(Cl)c1C(=O)[O-]
O=[N+]([O-])c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1 Brc1ccc(o1)[*:1] O=[N+]([O-])c1ccc2nc([nH]c2c1)[*:1]
O=[N+]([O-])c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1 O=[N+]([O-])[*:1] Brc1ccc(o1)-c1nc2ccc(cc2[nH]1)[*:1]
Cc1c(C(=O)Nc2cc(C#N)ccc2OC(F)F)oc2ccccc12 FC(F)[*:1] Cc1c(oc2ccccc12)C(=O)Nc1cc(C#N)ccc1O[*:1]
Cc1c(C(=O)Nc2cc(C#N)ccc2OC(F)F)oc2ccccc12 FC(F)O[*:1] Cc1c(oc2ccccc12)C(=O)Nc1cc(C#N)ccc1[*:1]
CN(C(=O)Nc1ccccc1I)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)Nc1ccccc1I)[*:1]
CCC[NH+]1CCC(NC(=O)NCCC(=O)N(C)C)CC1 CCC[*:1] CN(C)C(=O)CCNC(=O)NC1CC[NH+](CC1)[*:1]
CCC[NH+]1CCC(NC(=O)NCCC(=O)N(C)C)CC1 CN(C)C(=O)[*:1] CCC[NH+]1CCC(CC1)NC(=O)NCC[*:1]
CCC[NH+]1CCC(NC(=O)NCCC(=O)N(C)C)CC1 CN(C)C(=O)C[*:1] CCC[NH+]1CCC(CC1)NC(=O)NC[*:1]
CC(C)(C)Oc1cc(CNC(=O)NC[C@@H]2Cc3ccccc32)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])NC[C@@H]1Cc2ccccc21
CC(C)(C)Oc1cc(CNC(=O)NC[C@@H]2Cc3ccccc32)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])NC[C@@H]1Cc2ccccc21
CC(C)(C)Oc1cc(CNC(=O)NC[C@@H]2Cc3ccccc32)ccn1 c1ccc2c(c1)C[C@H]2[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)NC[*:1]
Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)NC[C@H]3CCCO3)cc2C1=O Cc1ccccc1[*:1] O=C(COC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])NC[C@H]1CCCO1
O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 O=[N+]([O-])[*:1] O=S(=O)(Cc1ccc(cc1)[*:1])N[C@@H]1CCC[C@H](C1)C(F)(F)F
O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 FC(F)(F)[*:1] O=[N+]([O-])c1ccc(cc1)CS(=O)(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
Cc1ccc2nc(CN[C@H](C)Cc3cnccn3)[nH]c2c1C c1cnc(cn1)[*:1] Cc1ccc2nc(CN[C@H](C)C[*:1])[nH]c2c1C
Cc1ccc2nc(CN[C@H](C)Cc3cnccn3)[nH]c2c1C c1cnc(cn1)C[*:1] Cc1ccc2nc(CN[C@H](C)[*:1])[nH]c2c1C
CC1CCC(N(C(=O)c2cn(CC(N)=O)nn2)C2CC2)CC1 CC1CCC(CC1)[*:1] NC(=O)Cn1cc(nn1)C(=O)N(C1CC1)[*:1]
CC1CCC(N(C(=O)c2cn(CC(N)=O)nn2)C2CC2)CC1 NC(=O)C[*:1] CC1CCC(CC1)N(C(=O)c1cn(nn1)[*:1])C1CC1
CC1CCC(N(C(=O)c2cn(CC(N)=O)nn2)C2CC2)CC1 NC(=O)[*:1] CC1CCC(CC1)N(C(=O)c1cn(C[*:1])nn1)C1CC1
CC1CCC(N(C(=O)c2cn(CC(N)=O)nn2)C2CC2)CC1 C1CC1[*:1] CC1CCC(CC1)N(C(=O)c1cn(CC(N)=O)nn1)[*:1]
Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCOCC1 Clc1ccccc1[*:1] Cc1nc(NC(=O)[*:1])sc1C(=O)N1CCOCC1
Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1nc(NC(=O)c2ccccc2Cl)sc1[*:1]
COC(=O)c1ncccc1N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)c1ncccc1N[C@@H]1CCO[C@@H]1[*:1]
COC(=O)c1ncccc1N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 COC(=O)[*:1] Clc1ccc(cc1)[C@@H]1OCC[C@H]1Nc1cccnc1[*:1]
COC(=O)c1nccc(N2CC[C@H](C(=O)OC)C2)n1 COC(=O)[*:1] COC(=O)c1nccc(n1)N1CC[C@H](C1)[*:1]
COC(=O)c1nccc(N2CC[C@H](C(=O)OC)C2)n1 COC(=O)[*:1] COC(=O)[C@H]1CCN(C1)c1ccnc(n1)[*:1]
Cc1cc(OCCCC(=O)NN)cc(C)c1Br NNC(=O)[*:1] Cc1cc(cc(C)c1Br)OCCC[*:1]
Cc1cc(OCCCC(=O)NN)cc(C)c1Br NNC(=O)C[*:1] Cc1cc(cc(C)c1Br)OCC[*:1]
Cn1cnc(CNC(=O)Nc2cccc(COCC3CC3)c2)n1 C1CC1CO[*:1] Cn1cnc(CNC(=O)Nc2cccc(c2)C[*:1])n1
Cn1cnc(CNC(=O)Nc2cccc(COCC3CC3)c2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])Nc1cccc(c1)COCC1CC1
Cn1cnc(CNC(=O)Nc2cccc(COCC3CC3)c2)n1 Cn1cnc(C[*:1])n1 O=C(Nc1cccc(c1)COCC1CC1)N[*:1]
Cn1cnc(CNC(=O)Nc2cccc(COCC3CC3)c2)n1 C1CC1COC[*:1] Cn1cnc(CNC(=O)Nc2cccc(c2)[*:1])n1
Cn1cnc(CNC(=O)Nc2cccc(COCC3CC3)c2)n1 C1CC1[*:1] Cn1cnc(CNC(=O)Nc2cccc(c2)COC[*:1])n1
Cn1cnc(CNC(=O)Nc2cccc(COCC3CC3)c2)n1 C1CC1C[*:1] Cn1cnc(CNC(=O)Nc2cccc(c2)CO[*:1])n1
Cc1ccc(-c2cc(-c3ccccc3)[nH]c(=O)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cc([nH]c(=O)n1)[*:1]
COc1ccc([C@@H](NC(=O)Nc2cc(C#N)ccc2Cl)C2CC2)cc1 COc1ccc(cc1)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)N[C@@H](C1CC1)[*:1]
COc1ccc([C@@H](NC(=O)Nc2cc(C#N)ccc2Cl)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)Nc1cc(C#N)ccc1Cl)[*:1]
NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(N)ccc2F)C1 NC(=O)[*:1] Nc1ccc(F)c(c1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C1)C[*:1]
COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(OC)c1 Cc1ccc(cc1)C[*:1] COc1ccc(c(c1)OC)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)N1CCC[C@H]1[*:1]
Cc1cccc([C@@H](C)C(=O)N2CCN(c3[nH+]ncc4ccccc34)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H](C(=O)N1CCN(CC1)c1[nH+]ncc2ccccc12)[*:1]
Cc1cccc([C@@H](C)C(=O)N2CCN(c3[nH+]ncc4ccccc34)CC2)c1 Cc1cccc(c1)[C@@H](C)[*:1] O=C(N1CCN(CC1)c1[nH+]ncc2ccccc12)[*:1]
COc1ccc(OCCNC(=O)c2ccc(N3CCOCC3)cc2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)OCCNC(=O)c1ccc(cc1)[*:1]
COc1ccc(OCCNC(=O)c2ccc(N3CCOCC3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NCCO[*:1])c1ccc(cc1)N1CCOCC1
CN(C(=O)NCc1ccc(Cl)nc1)C1CCC1 C1CC(C1)[*:1] CN(C(=O)NCc1ccc(Cl)nc1)[*:1]
Cc1ccccc1OCc1nc2c3cnn(-c4c(F)c(F)cc(F)c4F)c3ncn2n1 Cc1ccccc1OC[*:1] Fc1cc(F)c(F)c(c1F)-n1ncc2c1ncn1nc(nc21)[*:1]
Cc1ccccc1OCc1nc2c3cnn(-c4c(F)c(F)cc(F)c4F)c3ncn2n1 Cc1ccccc1[*:1] Fc1cc(F)c(F)c(c1F)-n1ncc2c1ncn1nc(CO[*:1])nc21
Cc1ccccc1OCc1nc2c3cnn(-c4c(F)c(F)cc(F)c4F)c3ncn2n1 Cc1ccccc1O[*:1] Fc1cc(F)c(F)c(c1F)-n1ncc2c1ncn1nc(C[*:1])nc21
Cc1ccccc1OCc1nc2c3cnn(-c4c(F)c(F)cc(F)c4F)c3ncn2n1 Fc1cc(F)c(F)c(c1F)[*:1] Cc1ccccc1OCc1nc2c3cnn(c3ncn2n1)[*:1]
C[C@@H]1CCCCN1C(=O)CN(CCC#N)Cc1ccco1 N#CCC[*:1] C[C@@H]1CCCCN1C(=O)CN(Cc1ccco1)[*:1]
C[C@@H]1CCCCN1C(=O)CN(CCC#N)Cc1ccco1 c1coc(c1)C[*:1] C[C@@H]1CCCCN1C(=O)CN(CCC#N)[*:1]
C[C@@H]1CCCCN1C(=O)CN(CCC#N)Cc1ccco1 c1coc(c1)[*:1] C[C@@H]1CCCCN1C(=O)CN(CCC#N)C[*:1]
C[C@@H]1CCCCN1C(=O)CN(CCC#N)Cc1ccco1 N#CC[*:1] C[C@@H]1CCCCN1C(=O)CN(Cc1ccco1)C[*:1]
COC(=O)CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 COC(=O)CNC(=O)C1CCN(CC1)C(=O)[*:1]
COC(=O)CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)CNC(=O)C1CCN(CC1)C(=O)C=C[*:1]
COC(=O)CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 COC(=O)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)/C=C/c1ccccc1
COC(=O)CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 COC(=O)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)/C=C/c1ccccc1
COC(=O)CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 COC(=O)CNC(=O)[*:1] O=C(/C=C/c1ccccc1)N1CCC(CC1)[*:1]
Cc1ccoc1[C@H](C)[NH2+]Cc1cccc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] Cc1ccoc1[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
Cc1ccoc1[C@H](C)[NH2+]Cc1cccc(-c2nc[nH]n2)c1 Cc1ccoc1[*:1] C[C@H]([NH2+]Cc1cccc(c1)-c1nc[nH]n1)[*:1]
CCC(CC)c1nnc(NC(=O)[C@@H](C)NC(N)=O)s1 NC(=O)N[*:1] CCC(CC)c1nnc(NC(=O)[C@@H](C)[*:1])s1
CCC(CC)c1nnc(NC(=O)[C@@H](C)NC(N)=O)s1 CCC(CC)[*:1] C[C@@H](NC(N)=O)C(=O)Nc1nnc(s1)[*:1]
CCC(CC)c1nnc(NC(=O)[C@@H](C)NC(N)=O)s1 C[C@@H](NC(N)=O)[*:1] CCC(CC)c1nnc(NC(=O)[*:1])s1
NC(=O)[C@H](NC(=O)c1nccn2ccnc12)c1ccccc1 NC(=O)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1nccn2ccnc12
NC(=O)[C@H](NC(=O)c1nccn2ccnc12)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](NC(=O)c1nccn2ccnc12)[*:1]
Cc1ccc([C@@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)[*:1]
Cc1ccc([C@@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)C2CC2)cc1 Cc1ccc(cc1)[*:1] C1C[C@@H](C[C@@]2(CCSC2)O1)[NH2+][C@@H](C1CC1)[*:1]
CC1(C)C(C(=O)N2CCO[C@H](c3ccccc3)C2)C1(C)C c1ccc(cc1)[*:1] CC1(C)C(C(=O)N2CCO[C@H](C2)[*:1])C1(C)C
CC1(C)C(C(=O)N2CCO[C@H](c3ccccc3)C2)C1(C)C CC1(C)C(C1(C)C)[*:1] O=C(N1CCO[C@@H](C1)c1ccccc1)[*:1]
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1)[*:1]
CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cccc(F)c1 Fc1ccccc1[*:1] CN1C(=O)[C@H](CC(=O)N[*:1])S/C1=N\c1cccc(F)c1
CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cccc(F)c1 Fc1cccc(c1)[*:1] CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=N[*:1]
O=C([O-])[C@H]1CSCN1C(=O)c1cnc2ccccn2c1=O O=C([O-])[*:1] O=C(c1cnc2ccccn2c1=O)N1CSC[C@@H]1[*:1]
COc1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 O=[N+]([O-])[*:1] COc1cccc(c1)CNC(=O)c1n[nH]c2ccc(cc12)[*:1]
COc1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])c1n[nH]c2ccc(cc12)[N+](=O)[O-]
CCN(Cc1cccc(C)n1)C[C@H](Br)C(F)(F)F FC(F)(F)[*:1] CCN(Cc1cccc(C)n1)C[C@H](Br)[*:1]
CC(C)C[C@@H](C[NH3+])N[C@H](C)c1ccccc1 CC(C)C[*:1] C[C@@H](N[C@H](C[NH3+])[*:1])c1ccccc1
CC(C)C[C@@H](C[NH3+])N[C@H](C)c1ccccc1 CC(C)[*:1] C[C@@H](N[C@H](C[NH3+])C[*:1])c1ccccc1
C[C@H]1CCCC[C@@H]1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] C[C@H]1CCCC[C@@H]1NC1=NS(=O)(=O)c2cc(ccc21)[*:1]
CC[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 CC[C@@H](C)NC(=O)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCC[C@@H]1[*:1]
CC[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 CC[C@@H](C)[*:1] O=C(N[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc2OCCOc2c1
CCN(CCOC)[C@@H]1CCC[C@]([NH2+]C)(C(=O)[O-])C1 COC[*:1] CCN(C[*:1])[C@@H]1CCC[C@](C1)([NH2+]C)C(=O)[O-]
CCN(CCOC)[C@@H]1CCC[C@]([NH2+]C)(C(=O)[O-])C1 COCC[*:1] CCN([C@@H]1CCC[C@](C1)([NH2+]C)C(=O)[O-])[*:1]
CCN(CCOC)[C@@H]1CCC[C@]([NH2+]C)(C(=O)[O-])C1 O=C([O-])[*:1] CCN(CCOC)[C@@H]1CCC[C@@](C1)([NH2+]C)[*:1]
COc1ccc2c(c1)CN(Cc1cc(OC)c(O)cc1[N+](=O)[O-])CC2 O=[N+]([O-])[*:1] COc1ccc2CCN(Cc2c1)Cc1cc(OC)c(O)cc1[*:1]
CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1nc(C)cs1 CC(C)(C)[*:1] CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)O[*:1])c1nc(C)cs1
CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[*:1]
CN(C)C(=O)CCC[NH2+][C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C CN(C)C(=O)[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)[NH2+]CCC[*:1]
CN(C)C(=O)CCC[NH2+][C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C CN(C)C(=O)C[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)[NH2+]CC[*:1]
CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2cccc(F)c2)cc1 Fc1cccc(c1)C[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)C(=O)N[*:1]
CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2cccc(F)c2)cc1 CCC(=O)N[*:1] O=C(NCc1cccc(F)c1)C(=O)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)C(=O)NC[*:1]
Cc1ccc(-n2c(SCCC#N)nnc2-c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] N#CCCSc1nnc(-c2ccc(Cl)cc2)n1[*:1]
Cc1ccc(-n2c(SCCC#N)nnc2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCCC#N
Cc1ccc(-n2c(SCCC#N)nnc2-c2ccc(Cl)cc2)cc1 N#CCC[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccc(Cl)cc1)S[*:1]
Cc1ccc(-n2c(SCCC#N)nnc2-c2ccc(Cl)cc2)cc1 N#CCCS[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])-c1ccc(Cl)cc1
Cc1ccc(-n2c(SCCC#N)nnc2-c2ccc(Cl)cc2)cc1 N#CC[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccc(Cl)cc1)SC[*:1]
COc1cccc(-c2cc(CC(=O)NC(C)(C)C)no2)c1 CC(C)(C)[*:1] COc1cccc(c1)-c1cc(CC(=O)N[*:1])no1
COc1cccc(-c2cc(CC(=O)NC(C)(C)C)no2)c1 CC(C)(C)NC(=O)[*:1] COc1cccc(c1)-c1cc(C[*:1])no1
C/C(=[NH+]\C[C@H]1CCCO1)[C@H]1C(=O)N(c2ccccc2C)C(=O)N=C1O C1CO[C@H](C1)[*:1] C/C(=[NH+]\C[*:1])[C@H]1C(=O)N(C(=O)N=C1O)c1ccccc1C
C/C(=[NH+]\C[C@H]1CCCO1)[C@H]1C(=O)N(c2ccccc2C)C(=O)N=C1O Cc1ccccc1[*:1] C/C(=[NH+]\C[C@H]1CCCO1)[C@H]1C(=O)N(C(=O)N=C1O)[*:1]
Cn1cc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c2ccccc21 O=C(N[*:1])[C@H]1CCCO1 Cn1cc(C(=O)Nc2ccc(cc2)[*:1])c2ccccc21
Cc1ccc(CN2CC(=O)C(c3n(C)c4ccccc4[n+]3C)=C2N)s1 Cc1ccc(s1)[*:1] Cn1c(C2C(=O)CN(C[*:1])C=2N)[n+](C)c2ccccc21
Cc1ccc(CN2CC(=O)C(c3n(C)c4ccccc4[n+]3C)=C2N)s1 Cc1ccc(C[*:1])s1 Cn1c(C2C(=O)CN(C=2N)[*:1])[n+](C)c2ccccc21
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCC(=O)c1ccc(cc1)-c1ccccc1)NC[*:1]
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CCC(=O)c1ccc(cc1)-c1ccccc1)N[*:1]
O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CCC(=O)c1ccc(cc1)[*:1])NCc1ccc(F)cc1
CS[C@@H]1CC[C@H](NC(=O)Cc2csc(N3CCNC3=O)n2)C1 O=C1NCCN1[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)Cc1csc(n1)[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N(C)Cc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N(C)C[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N(C)Cc1ccc(F)cc1F CC(C)O[*:1] CN(Cc1ccc(F)cc1F)C(=O)C(=O)Nc1cc(F)ccc1[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N(C)Cc1ccc(F)cc1F CC(C)[*:1] CN(Cc1ccc(F)cc1F)C(=O)C(=O)Nc1cc(F)ccc1O[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N(C)Cc1ccc(F)cc1F Fc1ccc(C[*:1])c(F)c1 CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N(C)[*:1]
O=C(c1ccc(-n2ccnn2)cc1)N1CCO[C@@H]([C@H]2CCCO2)C1 c1cn(nn1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCO[C@H](C1)[C@H]1CCCO1
O=C(c1ccc(-n2ccnn2)cc1)N1CCO[C@@H]([C@H]2CCCO2)C1 C1CO[C@H](C1)[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CCO[C@@H](C1)[*:1]
CC[C@@H](C)CN(C)C(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] CC[C@@H](C)CN(C)C(=O)Nc1cc(ccc1C)[*:1]
CC[C@@H](C)CN(C)C(=O)Nc1cc(-c2ncco2)ccc1C CC[C@@H](C)C[*:1] Cc1ccc(cc1NC(=O)N(C)[*:1])-c1ncco1
CC[C@@H](C)CN(C)C(=O)Nc1cc(-c2ncco2)ccc1C CC[C@@H](C)[*:1] Cc1ccc(cc1NC(=O)N(C)C[*:1])-c1ncco1
C[C@](CO)(Nc1nc2ccccc2c(=O)[nH]1)C1CC1 C1CC1[*:1] C[C@](CO)(Nc1nc2ccccc2c(=O)[nH]1)[*:1]
COc1ccc(-c2c(C(C)=O)c(C)nc3sc4c(-n5nc(C)cc5C)ncnc4c23)cc1 COc1ccc(cc1)[*:1] CC(=O)c1c(C)nc2sc3c(ncnc3c2c1[*:1])-n1nc(C)cc1C
COc1ccc(-c2c(C(C)=O)c(C)nc3sc4c(-n5nc(C)cc5C)ncnc4c23)cc1 Cc1cc(C)n(n1)[*:1] COc1ccc(cc1)-c1c(C(C)=O)c(C)nc2sc3c(ncnc3c12)[*:1]
COc1ccc(-c2c(C(C)=O)c(C)nc3sc4c(-n5nc(C)cc5C)ncnc4c23)cc1 CC(=O)[*:1] COc1ccc(cc1)-c1c(c(C)nc2sc3c(ncnc3c12)-n1nc(C)cc1C)[*:1]
C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCC2 C=CC[*:1] O=S1(=O)CC[C@H](C1)N(S(=O)(=O)c1ccc2CCCc2c1)[*:1]
Cc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(Br)c2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1cccc(Br)c1)c1cn[nH]c1[*:1]
Cc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)-c1[nH]ncc1C(=O)NC[*:1]
Cc1ccc(C(=O)NCc2cccnc2)cc1NC(=O)c1ccccc1 c1cncc(c1)C[*:1] Cc1ccc(cc1NC(=O)c1ccccc1)C(=O)N[*:1]
Cc1ccc(C(=O)NCc2cccnc2)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)NCc1cccnc1
Cc1ccc(C(=O)NCc2cccnc2)cc1NC(=O)c1ccccc1 c1cncc(c1)[*:1] Cc1ccc(cc1NC(=O)c1ccccc1)C(=O)NC[*:1]
C[NH+](C)CCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nc2c(F)cccc2s1 FC(F)(F)[*:1] C[NH+](C)CCCN(C(=O)c1ccc(cc1)[*:1])c1nc2c(F)cccc2s1
COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2Cl)cc1 COc1ccc(cc1)O[*:1] COc1cc2CCN(C(=O)c3ccccc3Cl)[C@@H](C[*:1])c2cc1OC
COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2Cl)cc1 COc1ccc(cc1)OC[*:1] COc1cc2CCN(C(=O)c3ccccc3Cl)[C@H](c2cc1OC)[*:1]
COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)OC[C@H]1c2cc(OC)c(cc2CCN1C(=O)[*:1])OC
COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] COc1cc2CCN(C(=O)c3ccccc3Cl)[C@@H](CO[*:1])c2cc1OC
COCCCC(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C COC[*:1] Cc1nc(sc1[C@H](C)NC(=O)CC[*:1])-c1ccccc1F
COCCCC(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C COCC[*:1] Cc1nc(sc1[C@H](C)NC(=O)C[*:1])-c1ccccc1F
COCCCC(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C COCCC[*:1] Cc1nc(sc1[C@H](C)NC(=O)[*:1])-c1ccccc1F
COCCCC(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C Fc1ccccc1[*:1] COCCCC(=O)N[C@@H](C)c1sc(nc1C)[*:1]
COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3cccs3)cc2c1 c1csc(c1)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(Cc1cccs1)C(=O)[*:1]
COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3cccs3)cc2c1 c1csc(c1)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(C[*:1])C(=O)c1cccs1
COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3cccs3)cc2c1 c1csc(c1)C[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)c1cccs1)[*:1]
Cc1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)c1cccc(c1)NS(=O)(=O)[*:1]
Cc1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])c1cccc(c1)NS(=O)(=O)c1ccccc1
COCc1nc2ccccc2n1Cc1noc(-c2ccco2)n1 c1coc(c1)[*:1] COCc1nc2ccccc2n1Cc1noc(n1)[*:1]
COCc1nc2ccccc2n1Cc1noc(-c2ccco2)n1 COC[*:1] c1coc(c1)-c1nc(Cn2c(nc3ccccc32)[*:1])no1
COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1cc2nn(nc2cc1NC(=S)NC(=O)[*:1])-c1ccc(F)cc1
COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1Cl Fc1ccc(cc1)[*:1] COc1ccc(cc1Cl)C(=O)NC(=S)Nc1cc2nn(nc2cc1C)[*:1]
CCN[C@]1(C(=O)OC)CC[C@@H](n2cc(C)cn2)C1 CCN[*:1] COC(=O)[C@@]1(CC[C@H](C1)n1cc(C)cn1)[*:1]
CCN[C@]1(C(=O)OC)CC[C@@H](n2cc(C)cn2)C1 COC(=O)[*:1] CCN[C@@]1(CC[C@H](C1)n1cc(C)cn1)[*:1]
CCN[C@]1(C(=O)OC)CC[C@@H](n2cc(C)cn2)C1 Cc1cnn(c1)[*:1] CCN[C@@]1(CC[C@@H](C1)[*:1])C(=O)OC
COC(=O)C[C@H](NC(=O)Nc1cnccc1C)c1ccc(C(C)C)cc1 CC(C)[*:1] COC(=O)C[C@H](NC(=O)Nc1cnccc1C)c1ccc(cc1)[*:1]
COC(=O)C[C@H](NC(=O)Nc1cnccc1C)c1ccc(C(C)C)cc1 Cc1ccncc1[*:1] COC(=O)C[C@H](NC(=O)N[*:1])c1ccc(cc1)C(C)C
COC(=O)C[C@H](NC(=O)Nc1cnccc1C)c1ccc(C(C)C)cc1 COC(=O)C[*:1] Cc1ccncc1NC(=O)N[C@H](c1ccc(cc1)C(C)C)[*:1]
COC(=O)C[C@H](NC(=O)Nc1cnccc1C)c1ccc(C(C)C)cc1 COC(=O)[*:1] Cc1ccncc1NC(=O)N[C@@H](C[*:1])c1ccc(cc1)C(C)C
Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 Cc1ccccc1[*:1] O=C(CN1C(=O)COc2ccc(Cl)cc21)N[*:1]
COc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] C[C@@H](CCc1ccccc1)[NH+]1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)S(=O)(=O)N1CC[NH+](CC1)[C@@H](C)C[*:1]
COc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CC[NH+](CC1)[C@@H](C)CC[*:1]
COc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)S(=O)(=O)N1CC[NH+](CC1)[C@@H](C)[*:1]
Cc1cccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1C(=O)[O-] Clc1ccccc1[*:1] Cc1cccc([N-]S(=O)(=O)C=C[*:1])c1C(=O)[O-]
Cc1cccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1C(=O)[O-] O=C([O-])[*:1] Cc1cccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1[*:1]
C[NH+]1CCN(C(=O)CCNC(=O)OC(C)(C)C)c2ccccc2C1 CC(C)(C)[*:1] C[NH+]1CCN(C(=O)CCNC(=O)O[*:1])c2ccccc2C1
C[NH+]1CCN(C(=O)CCNC(=O)OC(C)(C)C)c2ccccc2C1 CC(C)(C)OC(=O)N[*:1] C[NH+]1CCN(C(=O)CC[*:1])c2ccccc2C1
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(-c2noc([O-])n2)cc1 [O-]c1nc(no1)[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1COc1cccc(NC(=O)c2cc(C)no2)c1C Cc1cc(on1)[*:1] COc1ccccc1COc1cccc(NC(=O)[*:1])c1C
COc1ccccc1COc1cccc(NC(=O)c2cc(C)no2)c1C COc1ccccc1[*:1] Cc1cc(on1)C(=O)Nc1cccc(OC[*:1])c1C
CCc1cccc(NC(=O)NCCS(=O)(=O)CC)c1 CCS(=O)(=O)[*:1] CCc1cccc(c1)NC(=O)NCC[*:1]
CCc1cccc(NC(=O)NCCS(=O)(=O)CC)c1 CCS(=O)(=O)C[*:1] CCc1cccc(c1)NC(=O)NC[*:1]
C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccccc1C(F)(F)F)C2=O FC(F)(F)[*:1] C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccccc1[*:1])C2=O
CN(CC(=O)N1CCNC1=O)Cc1ccccc1C(F)(F)F FC(F)(F)[*:1] CN(CC(=O)N1CCNC1=O)Cc1ccccc1[*:1]
Cc1csc(Sc2ccc(NC(=O)c3ccc(C(N)=O)cc3)cc2Cl)n1 NC(=O)[*:1] Cc1csc(n1)Sc1ccc(cc1Cl)NC(=O)c1ccc(cc1)[*:1]
Cc1csc(Sc2ccc(NC(=O)c3ccc(C(N)=O)cc3)cc2Cl)n1 Cc1csc(n1)S[*:1] NC(=O)c1ccc(cc1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1csc(Sc2ccc(NC(=O)c3ccc(C(N)=O)cc3)cc2Cl)n1 Cc1csc(n1)[*:1] NC(=O)c1ccc(cc1)C(=O)Nc1ccc(S[*:1])c(Cl)c1
CCN(C(=O)[C@H](C)OC(=O)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)[C@H](C)OC(=O)c1ccccn1)[*:1]
CCN(C(=O)[C@H](C)OC(=O)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 c1ccc(nc1)[*:1] CCN(C(=O)[C@H](C)OC(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(cc(c1)[*:1])C(=O)Nc1nn(cc1C)-c1ccccc1Cl
Cc1cc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)cc([N+](=O)[O-])c1 Clc1ccccc1[*:1] Cc1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1nn(cc1C)[*:1]
COCC[S@](=O)Cc1cccc(NC(=O)N2C[C@H]3CCCC[C@H]3C2)c1 COCC[*:1] O=C(Nc1cccc(c1)C[S@@](=O)[*:1])N1C[C@H]2CCCC[C@H]2C1
COCC[S@](=O)Cc1cccc(NC(=O)N2C[C@H]3CCCC[C@H]3C2)c1 COCC[S@](=O)C[*:1] O=C(Nc1cccc(c1)[*:1])N1C[C@H]2CCCC[C@H]2C1
COCC[S@](=O)Cc1cccc(NC(=O)N2C[C@H]3CCCC[C@H]3C2)c1 COC[*:1] O=C(Nc1cccc(c1)C[S@@](=O)C[*:1])N1C[C@H]2CCCC[C@H]2C1
C[C@@]1(c2noc(C[NH2+]CC3CC3)n2)CCCO1 C1CC1[*:1] C[C@]1(CCCO1)c1noc(C[NH2+]C[*:1])n1
C[C@@]1(c2noc(C[NH2+]CC3CC3)n2)CCCO1 C1CC1C[*:1] C[C@]1(CCCO1)c1noc(C[NH2+][*:1])n1
O=C([O-])[C@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)C1CC[NH2+]CC1 O=C([O-])[*:1] O=C(C1CC[NH2+]CC1)N1[C@@H]2CCCC[C@H]2CC[C@@H]1[*:1]
Cc1cccc([C@@H](CNC(=O)NCCC(C)C)N2CCOCC2)c1 CC(C)CC[*:1] Cc1cccc(c1)[C@@H](CNC(=O)N[*:1])N1CCOCC1
Cc1cccc([C@@H](CNC(=O)NCCC(C)C)N2CCOCC2)c1 CC(C)C[*:1] Cc1cccc(c1)[C@@H](CNC(=O)NC[*:1])N1CCOCC1
Cc1cccc([C@@H](CNC(=O)NCCC(C)C)N2CCOCC2)c1 CC(C)[*:1] Cc1cccc(c1)[C@@H](CNC(=O)NCC[*:1])N1CCOCC1
Cc1cccc([C@@H](CNC(=O)NCCC(C)C)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H](CNC(=O)NCCC(C)C)[*:1]
Cc1cccc([C@@H](CNC(=O)NCCC(C)C)N2CCOCC2)c1 Cc1cccc(c1)[*:1] CC(C)CCNC(=O)NC[C@@H](N1CCOCC1)[*:1]
CCN(Cc1cccc(F)c1)C(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 O=S(=O)(N1CCCC1)[*:1] CCN(Cc1cccc(F)c1)C(=O)c1cc(c[nH]1)[*:1]
CCN(Cc1cccc(F)c1)C(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 Fc1cccc(c1)C[*:1] CCN(C(=O)c1cc(c[nH]1)S(=O)(=O)N1CCCC1)[*:1]
CCN(Cc1cccc(F)c1)C(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 Fc1cccc(c1)[*:1] CCN(C[*:1])C(=O)c1cc(c[nH]1)S(=O)(=O)N1CCCC1
CC(C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl CC(C)C[C@H](C)[*:1] O=C([O-])c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
CC(C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl O=C([O-])[*:1] CC(C)C[C@H](C)NS(=O)(=O)c1cc(ccc1Cl)[*:1]
CC(C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl CC(C)[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1cc(ccc1Cl)C(=O)[O-]
CC(C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl CC(C)C[*:1] C[C@H](NS(=O)(=O)c1cc(ccc1Cl)C(=O)[O-])[*:1]
COc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1F NS(=O)(=O)[*:1] COc1ccc(cc1F)C(=O)NCCc1ccc(cc1)[*:1]
C[C@H]([NH3+])c1nc2ccc(Cl)cc2n1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH3+])c1nc2ccc(Cl)cc2n1C[*:1]
CC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4F)c(C)c(C)n23)n(C)c1=O Fc1ccccc1[*:1] CC(=O)[C@H](C)n1c(=O)c2c(nc3n(c(C)c(C)n23)[*:1])n(C)c1=O
CC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4F)c(C)c(C)n23)n(C)c1=O CC(=O)[*:1] Cc1c(C)n2c3c(=O)n(c(=O)n(C)c3nc2n1-c1ccccc1F)[C@@H](C)[*:1]
Cn1cc(C[NH+](C)CC2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 C1CC(CCO1)[*:1] Cn1cc(C[NH+](C)C[*:1])c(n1)-c1ccc(cc1)[N+](=O)[O-]
Cn1cc(C[NH+](C)CC2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cn1cc(C[NH+](C)CC2CCOCC2)c(n1)-c1ccc(cc1)[*:1]
Cn1cc(C[NH+](C)CC2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 C1CC(CCO1)C[*:1] Cn1cc(C[NH+](C)[*:1])c(n1)-c1ccc(cc1)[N+](=O)[O-]
CN(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] CN(C1CCN(CC1)C(=O)c1cc(no1)-c1ccccc1)[*:1]
CN(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 CN(c1ccccc1)[*:1] O=C(c1cc(no1)-c1ccccc1)N1CCC(CC1)[*:1]
CN(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] CN(c1ccccc1)C1CCN(CC1)C(=O)c1cc(no1)[*:1]
Cc1noc(C2CCN(C(=O)NCc3ccccc3CN3CCOCC3)CC2)n1 Cc1noc(n1)[*:1] O=C(NCc1ccccc1CN1CCOCC1)N1CCC(CC1)[*:1]
Cc1noc(C2CCN(C(=O)NCc3ccccc3CN3CCOCC3)CC2)n1 C1CN(CCO1)[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)NCc1ccccc1C[*:1]
Cc1noc(C2CCN(C(=O)NCc3ccccc3CN3CCOCC3)CC2)n1 C1CN(CCO1)C[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)NCc1ccccc1[*:1]
c1coc(-c2nnc(CSc3cnccn3)o2)c1 c1cnc(cn1)[*:1] c1coc(c1)-c1nnc(CS[*:1])o1
c1coc(-c2nnc(CSc3cnccn3)o2)c1 c1coc(c1)[*:1] c1cnc(cn1)SCc1nnc(o1)[*:1]
O=C(CN1CCN(Cc2cncs2)CC1)Nc1ccc(Cl)cc1 c1ncc(s1)[*:1] O=C(CN1CCN(CC1)C[*:1])Nc1ccc(Cl)cc1
O=C(CN1CCN(Cc2cncs2)CC1)Nc1ccc(Cl)cc1 c1ncc(C[*:1])s1 O=C(CN1CCN(CC1)[*:1])Nc1ccc(Cl)cc1
O=C(CN1CCN(Cc2cncs2)CC1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)Cc1cncs1)N[*:1]
N#C[C@@H]1CN(C(=O)N2CCCCC[C@H]2C(=O)[O-])CCO1 O=C([O-])[*:1] N#C[C@@H]1CN(CCO1)C(=O)N1CCCCC[C@@H]1[*:1]
O=C(NCCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(NCCc1ccccc1)c1cccc(c1)-c1ccc(cc1)[*:1]
O=C(NCCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1cccc(c1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(NCCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 c1ccc(cc1)CC[*:1] O=C(N[*:1])c1cccc(c1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(NCCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1cccc(c1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
CCn1ncnc1[C@H](Nc1nccc(C)n1)C1CC1 C1CC1[*:1] CCn1ncnc1[C@H](Nc1nccc(C)n1)[*:1]
COc1cc(CNC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)ccn1 COc1cc(ccn1)[*:1] C[C@@H]1Oc2ccccc2N(CC(=O)NC[*:1])C1=O
CNC(=O)c1cccc(NCc2cn(-c3ccccc3)nc2C(C)C)c1C c1ccc(cc1)[*:1] CNC(=O)c1cccc(NCc2cn(nc2C(C)C)[*:1])c1C
CNC(=O)c1cccc(NCc2cn(-c3ccccc3)nc2C(C)C)c1C CC(C)[*:1] CNC(=O)c1cccc(NCc2cn(nc2[*:1])-c2ccccc2)c1C
CNC(=O)c1cccc(NCc2cn(-c3ccccc3)nc2C(C)C)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NCc1cn(nc1C(C)C)-c1ccccc1
COc1cc(N)ccc1SCc1noc(C2CC2)n1 C1CC1[*:1] COc1cc(N)ccc1SCc1noc(n1)[*:1]
CC[C@H](C(=O)Nc1nc2c(s1)CCCC2)n1cnc2c1c(=O)n(C)c(=O)n2C C1CCc2sc(nc2C1)[*:1] CC[C@H](C(=O)N[*:1])n1cnc2c1c(=O)n(C)c(=O)n2C
Cc1cccc(COC(=O)CCCN2C(=O)CNC2=O)c1 O=C1CNC(=O)N1[*:1] Cc1cccc(c1)COC(=O)CCC[*:1]
Cc1cccc(COC(=O)CCCN2C(=O)CNC2=O)c1 Cc1cccc(c1)[*:1] O=C(CCCN1C(=O)CNC1=O)OC[*:1]
CCN(C(=O)Cc1ccc[nH]1)c1cc(C)cc(C)c1 c1c[nH]c(c1)[*:1] CCN(C(=O)C[*:1])c1cc(C)cc(C)c1
CCN(C(=O)Cc1ccc[nH]1)c1cc(C)cc(C)c1 c1c[nH]c(c1)C[*:1] CCN(C(=O)[*:1])c1cc(C)cc(C)c1
C[C@@H](NC(=O)c1ccc(C=O)cc1)c1noc(Cc2ccccc2)n1 O=Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])c1noc(Cc2ccccc2)n1
C[C@@H](NC(=O)c1ccc(C=O)cc1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(C=O)cc1)c1noc(C[*:1])n1
C[C@@H](NC(=O)c1ccc(C=O)cc1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)c1ccc(C=O)cc1)c1noc(n1)[*:1]
CCN(Cc1ccccn1)C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C
CCN(Cc1ccccn1)C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C Clc1ccccc1[*:1] CCN(Cc1ccccn1)C(=O)[C@H](NC(=O)[*:1])C(C)C
CCN(Cc1ccccn1)C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C c1ccc(C[*:1])nc1 CCN(C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C)[*:1]
CCN(Cc1ccccn1)C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C CC(C)[*:1] CCN(Cc1ccccn1)C(=O)[C@H](NC(=O)c1ccccc1Cl)[*:1]
Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+]1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] Cc1oc(nc1C[NH+]1CCN(CC1)C(=O)[*:1])-c1ccc2ccccc2c1
Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+]1CCN(C(=O)c2ccco2)CC1 c1ccc2cc(ccc2c1)[*:1] Cc1oc(nc1C[NH+]1CCN(CC1)C(=O)c1ccco1)[*:1]
CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N1 Cc1cccc(c1C)[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)N[*:1])c1ccc(Cl)cc1Cl
CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N1 Clc1ccc(c(Cl)c1)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)Nc1cccc(C)c1C)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(-c3cccs3)cc3ccccc32)C1 c1csc(c1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)Cn1c(cc2ccccc21)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(-c3cccs3)cc3ccccc32)C1 CCOC(=O)[*:1] O=C(Cn1c(cc2ccccc21)-c1cccs1)N1CCC[C@H](C1)[*:1]
COCCSCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] COCCSCC(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
COCCSCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 COCC[*:1] CC(C)(C)c1ccc(cc1)[C@H]1CCCN1C(=O)CS[*:1]
COCCSCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 COCCS[*:1] CC(C)(C)c1ccc(cc1)[C@H]1CCCN1C(=O)C[*:1]
COCCSCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 COCCSC[*:1] CC(C)(C)c1ccc(cc1)[C@H]1CCCN1C(=O)[*:1]
COCCSCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 COC[*:1] CC(C)(C)c1ccc(cc1)[C@H]1CCCN1C(=O)CSC[*:1]
CSc1ccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1 C1CCC(C1)[*:1] CSc1ccc(cc1)NC(=O)c1ccc(cc1)CNC(=O)[*:1]
CSc1ccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1 O=C(N[*:1])C1CCCC1 CSc1ccc(cc1)NC(=O)c1ccc(cc1)C[*:1]
CSc1ccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1 CSc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)CNC(=O)C1CCCC1
CCn1ncc(Br)c1C(=O)NCC(=O)C(C)(C)C CC(C)(C)C(=O)[*:1] CCn1ncc(Br)c1C(=O)NC[*:1]
CCn1ncc(Br)c1C(=O)NCC(=O)C(C)(C)C CC(C)(C)[*:1] CCn1ncc(Br)c1C(=O)NCC(=O)[*:1]
Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 Cc1noc(C)c1C[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc2NC(=O)Cc2c1
Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 Cc1noc(C)c1CC[*:1] O=C1Cc2cc(ccc2N1)-c1csc(n1)NC(=O)[*:1]
Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 Cc1noc(C)c1[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1ccc2NC(=O)Cc2c1
CC(C)OC(=O)CC[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 CC(C)OC(=O)[*:1] O=C(c1ccc(F)cc1)N1CCC[NH+](CC1)CC[*:1]
CC(C)OC(=O)CC[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)OC(=O)CC[NH+]1CCCN(CC1)C(=O)[*:1]
CC(C)OC(=O)CC[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 CC(C)OC(=O)CC[*:1] O=C(c1ccc(F)cc1)N1CCC[NH+](CC1)[*:1]
CC(C)OC(=O)CC[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 CC(C)OC(=O)C[*:1] O=C(c1ccc(F)cc1)N1CCC[NH+](CC1)C[*:1]
CC(C)OC(=O)CC[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 CC(C)[*:1] O=C(CC[NH+]1CCCN(CC1)C(=O)c1ccc(F)cc1)O[*:1]
O=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)[C@H](O)c1ccc(F)cc1)C2 O=C(NC1CC1)[*:1] O=C([C@H](O)c1ccc(F)cc1)N1CCCn2nc(cc2C1)[*:1]
O=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)[C@H](O)c1ccc(F)cc1)C2 O[C@H](c1ccc(F)cc1)[*:1] O=C(NC1CC1)c1cc2CN(CCCn2n1)C(=O)[*:1]
O=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)[C@H](O)c1ccc(F)cc1)C2 Fc1ccc(cc1)[*:1] O=C(NC1CC1)c1cc2CN(CCCn2n1)C(=O)[C@H](O)[*:1]
O=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)[C@H](O)c1ccc(F)cc1)C2 C1CC1[*:1] O=C(N[*:1])c1cc2CN(CCCn2n1)C(=O)[C@H](O)c1ccc(F)cc1
O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(C=O)c(C)n1 CCO[*:1] Cc1nc(ccc1C=O)[*:1]
Cc1nc(-c2ccc(OS(=O)(=O)c3ccccc3-c3ccccc3)cc2)no1 Cc1nc(no1)[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccccc1-c1ccccc1
Cc1nc(-c2ccc(OS(=O)(=O)c3ccccc3-c3ccccc3)cc2)no1 c1ccc(cc1)[*:1] Cc1nc(no1)-c1ccc(cc1)OS(=O)(=O)c1ccccc1[*:1]
CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 Clc1ccc(cc1Cl)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)O[C@@H]1CCC[C@H]1C)[*:1]
Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 Cc1noc(C)c1[*:1] C[C@@H](CNC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CC(C)(C)[C@H]1CC[C@H]([NH3+])[C@H](Cc2nccs2)C1 c1csc(n1)[*:1] CC(C)(C)[C@H]1CC[C@H]([NH3+])[C@@H](C1)C[*:1]
CC(C)(C)[C@H]1CC[C@H]([NH3+])[C@H](Cc2nccs2)C1 CC(C)(C)[*:1] [NH3+][C@H]1CC[C@@H](C[C@H]1Cc1nccs1)[*:1]
CCOC(=O)C[C@]1([NH+](CC)CC)CCCS[C@H]1C CCOC(=O)[*:1] CC[NH+](CC)[C@]1(CCCS[C@H]1C)C[*:1]
CCOC(=O)C[C@]1([NH+](CC)CC)CCCS[C@H]1C CCOC(=O)C[*:1] CC[NH+](CC)[C@@]1(CCCS[C@H]1C)[*:1]
N#Cc1ccc(-c2cccnc2)nc1SCc1cccc(C(F)(F)F)c1 c1cncc(c1)[*:1] N#Cc1ccc(nc1SCc1cccc(c1)C(F)(F)F)[*:1]
N#Cc1ccc(-c2cccnc2)nc1SCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1ccc(nc1SCc1cccc(c1)[*:1])-c1cccnc1
O=C(NCc1cccnc1-n1cccn1)c1cnc2nc([O-])[nH]c(=O)c2c1 c1cnn(c1)[*:1] O=C(NCc1cccnc1[*:1])c1cnc2nc([O-])[nH]c(=O)c2c1
C/[NH+]=C(/NCc1cc(C)oc1C)N[C@H]1CCC[C@H](SC)C1 Cc1cc(c(C)o1)[*:1] C/[NH+]=C(/NC[*:1])N[C@H]1CCC[C@@H](C1)SC
O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(cc1)[*:1]
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccncc1 O=C(c1ccncc1)[*:1] O=C1C([O-])=C([C@H](c2ccc(O)cc2)N1CCc1ccccc1)[*:1]
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccncc1 Oc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1[*:1])c1ccncc1
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccncc1 c1cc(ccn1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(O)cc2)N1CCc1ccccc1
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccncc1 c1ccc(cc1)C[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(O)cc1)c1ccncc1
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccncc1 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccc(O)cc1)c1ccncc1
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccncc1 c1ccc(cc1)CC[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(O)cc1)[*:1])c1ccncc1
CO[C@]1(C)C[C@@H](N(C)C(=O)CNC(=O)c2cc(C)oc2C)C1(C)C Cc1cc(c(C)o1)[*:1] CO[C@]1(C)C[C@@H](N(C)C(=O)CNC(=O)[*:1])C1(C)C
COCCC1(CNC(=O)Nc2cncc3ccccc23)CCCC1 COC[*:1] O=C(NCC1(CCCC1)C[*:1])Nc1cncc2ccccc12
COCCC1(CNC(=O)Nc2cncc3ccccc23)CCCC1 COCC[*:1] O=C(NCC1(CCCC1)[*:1])Nc1cncc2ccccc12
CC(C)C(=O)CN1CCS(=O)(=O)CC1 CC(C)[*:1] O=C(CN1CCS(=O)(=O)CC1)[*:1]
CCSC1=NC(=O)C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C#N O=[N+]([O-])[*:1] CCSC1=NC(=O)C[C@H](c2ccc(cc2)[*:1])[C@H]1C#N
CC(C)(C)CC(=O)Nc1cc(F)c(F)cc1Cl CC(C)(C)[*:1] O=C(C[*:1])Nc1cc(F)c(F)cc1Cl
CC(C)(C)CC(=O)Nc1cc(F)c(F)cc1Cl CC(C)(C)C[*:1] O=C(Nc1cc(F)c(F)cc1Cl)[*:1]
COC(=O)/C=C/c1ccc(NCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 COC(=O)C=C[*:1] O=C(CNc1ccc(cc1[N+](=O)[O-])[*:1])N1CCCCC1
COC(=O)/C=C/c1ccc(NCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)/C=C/c1ccc(NCC(=O)N2CCCCC2)c(c1)[*:1]
COC(=O)/C=C/c1ccc(NCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 COC(=O)[*:1] O=C(CNc1ccc(C=C[*:1])cc1[N+](=O)[O-])N1CCCCC1
COC(=O)/C=C/c1ccc(NCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 O=C(N1CCCCC1)[*:1] COC(=O)/C=C/c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
O=S(=O)(CCCF)/N=C(\[O-])[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(CCCF)/N=C(\[O-])[C@H]1C[C@@H]1[*:1]
O=S(=O)(CCCF)/N=C(\[O-])[C@H]1C[C@H]1c1ccccc1 FCCC[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@H]1c1ccccc1)[*:1]
O=S(=O)(CCCF)/N=C(\[O-])[C@H]1C[C@H]1c1ccccc1 FCC[*:1] O=S(=O)(C[*:1])/N=C(\[O-])[C@H]1C[C@H]1c1ccccc1
COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CC[NH+](C(C)C)CC3)c2C2CC2)n1 COc1ccccc1[*:1] CC(C)[NH+]1CCN(CC1)C(=O)c1cnn(-c2nccc(n2)[*:1])c1C1CC1
COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CC[NH+](C(C)C)CC3)c2C2CC2)n1 C1CC1[*:1] COc1ccccc1-c1ccnc(n1)-n1ncc(C(=O)N2CC[NH+](CC2)C(C)C)c1[*:1]
COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CC[NH+](C(C)C)CC3)c2C2CC2)n1 CC(C)[*:1] COc1ccccc1-c1ccnc(n1)-n1ncc(C(=O)N2CC[NH+](CC2)[*:1])c1C1CC1
Cc1ccc(C(C)(C)CN(C)C(=O)CSc2nc(C)n[nH]2)cc1 Cc1n[nH]c(n1)[*:1] Cc1ccc(cc1)C(C)(C)CN(C)C(=O)CS[*:1]
Cc1ccc(C(C)(C)CN(C)C(=O)CSc2nc(C)n[nH]2)cc1 Cc1n[nH]c(n1)S[*:1] Cc1ccc(cc1)C(C)(C)CN(C)C(=O)C[*:1]
Cc1ccc(C(C)(C)CN(C)C(=O)CSc2nc(C)n[nH]2)cc1 Cc1ccc(cc1)[*:1] Cc1n[nH]c(n1)SCC(=O)N(C)CC(C)(C)[*:1]
O=C(c1cncc(Br)c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(c1cncc(Br)c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1cncc(Br)c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cncc(Br)c1)N1CCN(CC1)S(=O)(=O)C=C[*:1]
O=C(c1cncc(Br)c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 Brc1cncc(c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1)[*:1]
O=C(NCCCn1cc[nH+]c1)N1CCO[C@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(NCCCn1cc[nH+]c1)N1CCO[C@H](C1)[*:1]
Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CNC(N)=O)C2)cc1 NC(=O)NC[*:1] Cc1ccc(cc1)-c1cn[nH]c1[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CNC(N)=O)C2)cc1 NC(=O)N[*:1] Cc1ccc(cc1)-c1cn[nH]c1[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CNC(N)=O)C2)cc1 Cc1ccc(cc1)[*:1] NC(=O)NCC(=O)N1CCC[C@H](C1)c1[nH]ncc1[*:1]
O=C(NCCCN1CCCC1=O)c1n[nH]c2cc(Cl)ccc12 O=C1CCCN1C[*:1] O=C(NCC[*:1])c1n[nH]c2cc(Cl)ccc12
O=C(NCCCN1CCCC1=O)c1n[nH]c2cc(Cl)ccc12 O=C1CCCN1[*:1] O=C(NCCC[*:1])c1n[nH]c2cc(Cl)ccc12
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1F Cc1ccc(cc1F)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NS(=O)(=O)[*:1]
Cc1ccsc1CN(C)C(=O)C(=O)Nc1c(C)ccn(C)c1=O Cc1ccsc1[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(C)C[*:1]
Cc1ccsc1CN(C)C(=O)C(=O)Nc1c(C)ccn(C)c1=O Cc1ccsc1C[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(C)[*:1]
CC[C@H]1COCCN1C(=O)N[C@H](C)CCSC CSCC[*:1] CC[C@H]1COCCN1C(=O)N[C@H](C)[*:1]
CC[C@H]1COCCN1C(=O)N[C@H](C)CCSC CSC[*:1] CC[C@H]1COCCN1C(=O)N[C@H](C)C[*:1]
C[C@@H]([NH2+]CC1CCC1)c1ccccc1OC(F)F C1CC(C1)C[*:1] C[C@@H]([NH2+][*:1])c1ccccc1OC(F)F
C[C@@H]([NH2+]CC1CCC1)c1ccccc1OC(F)F FC(F)O[*:1] C[C@@H]([NH2+]CC1CCC1)c1ccccc1[*:1]
C[C@@H]([NH2+]CC1CCC1)c1ccccc1OC(F)F C1CC(C1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccccc1OC(F)F
C[C@@H]([NH2+]CC1CCC1)c1ccccc1OC(F)F FC(F)[*:1] C[C@@H]([NH2+]CC1CCC1)c1ccccc1O[*:1]
CC(=O)Nc1ccc(NC(=O)/C=C(/C)c2ccccc2F)c(Cl)c1 Fc1ccccc1[*:1] CC(=O)Nc1ccc(NC(=O)C=C(C)[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)/C=C(/C)c2ccccc2F)c(Cl)c1 CC(=O)N[*:1] C/C(=C/C(=O)Nc1ccc(cc1Cl)[*:1])c1ccccc1F
Cc1ccc(CNC(=O)Cn2cc(C#N)c(=O)c3ccccc32)cc1F Cc1ccc(cc1F)[*:1] N#Cc1cn(CC(=O)NC[*:1])c2ccccc2c1=O
N#CCCN(C(=O)C1CC=CC1)c1ccc2c(c1)OCCO2 N#CC[*:1] O=C(C1CC=CC1)N(C[*:1])c1ccc2OCCOc2c1
N#CCCN(C(=O)C1CC=CC1)c1ccc2c(c1)OCCO2 N#CCC[*:1] O=C(C1CC=CC1)N(c1ccc2OCCOc2c1)[*:1]
CNC(=O)C1CCN(C(=O)CCc2nc(-c3ncccn3)no2)CC1 c1cnc(nc1)[*:1] CNC(=O)C1CCN(CC1)C(=O)CCc1nc(no1)[*:1]
CNC(=O)C1CCN(C(=O)CCc2nc(-c3ncccn3)no2)CC1 CNC(=O)[*:1] O=C(CCc1nc(no1)-c1ncccn1)N1CCC(CC1)[*:1]
Cc1n[nH]c2c1[C@@]1(C(=O)N([C@@H](C)C(=O)[O-])c3ccccc31)C(C#N)=C(N)O2 O=C([O-])[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@]3(C(=O)N(c4ccccc43)[C@@H](C)[*:1])c12
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1C O=[N+]([O-])[*:1] Cc1cc(cc(c1C)S(=O)(=O)Oc1cccc(c1)[N+](=O)[O-])[*:1]
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1C O=[N+]([O-])[*:1] Cc1cc(cc(c1C)S(=O)(=O)Oc1cccc(c1)[*:1])[N+](=O)[O-]
CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(c(F)c1)[*:1]
Cc1nc(CCCn2c3c(sc2=O)C[C@H](C)CC3)cs1 Cc1nc(cs1)[*:1] C[C@@H]1CCc2c(C1)sc(=O)n2CCC[*:1]
CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(CC)cc3)C[C@]23C=C[C@H]1O3 CCC[*:1] CCc1ccc(cc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OC[*:1])[C@@H]3C1=O
CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(CC)cc3)C[C@]23C=C[C@H]1O3 CCCC[*:1] CCc1ccc(cc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O[*:1])[C@@H]3C1=O
CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(CC)cc3)C[C@]23C=C[C@H]1O3 CCCCOC(=O)[*:1] CCc1ccc(cc1)N1C[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C1=O)[*:1]
CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(CC)cc3)C[C@]23C=C[C@H]1O3 CCc1ccc(cc1)[*:1] CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
C[C@@H](OC(=O)Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H](OC(=O)Cc1ccc(F)c(F)c1)c1ccc(cc1)[*:1]
O=C(C1CC1)N1CCC[C@@H]1c1cncc(Oc2ccccc2F)n1 Fc1ccccc1O[*:1] O=C(C1CC1)N1CCC[C@@H]1c1cncc(n1)[*:1]
O=C(C1CC1)N1CCC[C@@H]1c1cncc(Oc2ccccc2F)n1 Fc1ccccc1[*:1] O=C(C1CC1)N1CCC[C@@H]1c1cncc(n1)O[*:1]
O=C(C1CC1)N1CCC[C@@H]1c1cncc(Oc2ccccc2F)n1 C1CC1[*:1] O=C(N1CCC[C@@H]1c1cncc(n1)Oc1ccccc1F)[*:1]
COc1ccc(CN2C(=O)c3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3C2=O)cc1 NC(=O)[*:1] COc1ccc(cc1)CN1C(=O)c2ccc(cc2C1=O)C(=O)N1CCC(CC1)[*:1]
COc1ccc(CN2C(=O)c3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3C2=O)cc1 COc1ccc(cc1)C[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COc1ccc(CN2C(=O)c3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3C2=O)cc1 COc1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
COc1cc(C(=O)[O-])cc(-c2cc(Cl)ccc2OC)c1 O=C([O-])[*:1] COc1cc(cc(c1)[*:1])-c1cc(Cl)ccc1OC
CCc1nn(C)cc1CNC(=O)N[C@@H](CC)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)N[C@@H](CC)C(C)(C)[*:1]
CCc1nn(C)cc1CNC(=O)N[C@@H](CC)C(C)(C)c1ccccc1 CCc1nn(C)cc1[*:1] CC[C@H](NC(=O)NC[*:1])C(C)(C)c1ccccc1
CCC(CC)[C@@H](CNC(=O)Nc1cccc(F)c1F)N1CCOCC1 Fc1cccc(c1F)[*:1] CCC(CC)[C@@H](CNC(=O)N[*:1])N1CCOCC1
CCC(CC)[C@@H](CNC(=O)Nc1cccc(F)c1F)N1CCOCC1 C1CN(CCO1)[*:1] CCC(CC)[C@@H](CNC(=O)Nc1cccc(F)c1F)[*:1]
CCC(CC)[C@@H](CNC(=O)Nc1cccc(F)c1F)N1CCOCC1 CCC(CC)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])Nc1cccc(F)c1F
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Sc2ccc3ccccc3n2)C1 CCOC(=O)[*:1] C[C@H](Sc1ccc2ccccc2n1)C(=O)N1CCC[C@@H](C1)[*:1]
CCc1nn(C)cc1NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 CCc1nn(C)cc1[*:1] O=C(N[*:1])[C@@H]1C[C@H]1c1ccc2ccccc2c1
O=C(NCc1cccs1)C1(c2cc(-c3cccs3)on2)CC1 c1csc(c1)[*:1] O=C(NC[*:1])C1(CC1)c1cc(on1)-c1cccs1
O=C(NCc1cccs1)C1(c2cc(-c3cccs3)on2)CC1 c1csc(c1)C[*:1] O=C(N[*:1])C1(CC1)c1cc(on1)-c1cccs1
O=C(NCc1cccs1)C1(c2cc(-c3cccs3)on2)CC1 c1csc(c1)[*:1] O=C(NCc1cccs1)C1(CC1)c1cc(on1)[*:1]
O=C(c1ccc(OCC(F)F)nc1)N1CC[NH+](C2CCCCC2)CC1 FC(F)[*:1] O=C(c1ccc(nc1)OC[*:1])N1CC[NH+](CC1)C1CCCCC1
O=C(c1ccc(OCC(F)F)nc1)N1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(c1ccc(nc1)OCC(F)F)N1CC[NH+](CC1)[*:1]
O=C(c1ccc(OCC(F)F)nc1)N1CC[NH+](C2CCCCC2)CC1 FC(F)CO[*:1] O=C(c1ccc(nc1)[*:1])N1CC[NH+](CC1)C1CCCCC1
O=C(c1ccc(OCC(F)F)nc1)N1CC[NH+](C2CCCCC2)CC1 FC(F)C[*:1] O=C(c1ccc(nc1)O[*:1])N1CC[NH+](CC1)C1CCCCC1
Cc1cc(C)cc(C(=O)N2CCN(CCNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCN(CCNC(=O)[C@H]2CC(=O)N(C2)[*:1])CC1
Cc1cc(C)cc(C(=O)N2CCN(CCNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
CCn1c([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2C(C)C)nc2ccccc21 CC(C)[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1[*:1]
OCC1(C[NH2+][C@H](c2ccccc2)C2CCCC2)COC1 c1ccc(cc1)[*:1] OCC1(C[NH2+][C@H](C2CCCC2)[*:1])COC1
OCC1(C[NH2+][C@H](c2ccccc2)C2CCCC2)COC1 C1CCC(C1)[*:1] OCC1(C[NH2+][C@H](c2ccccc2)[*:1])COC1
OCC1(C[NH2+][C@H](c2ccccc2)C2CCCC2)COC1 OCC1(COC1)[*:1] c1ccc(cc1)[C@@H]([NH2+]C[*:1])C1CCCC1
O=C(C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccco1 O=C(c1ccco1)[*:1] O=C1N(Cc2c(F)cccc2Cl)c2ccccc2[C@@]1(O)C[*:1]
O=C(C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccco1 O=C(C[*:1])c1ccco1 O=C1N(Cc2c(F)cccc2Cl)c2ccccc2[C@]1(O)[*:1]
O=C(C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccco1 c1coc(c1)[*:1] O=C1N(Cc2c(F)cccc2Cl)c2ccccc2[C@@]1(O)CC(=O)[*:1]
O=C(C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccco1 Fc1cccc(Cl)c1[*:1] O=C(C[C@@]1(O)C(=O)N(C[*:1])c2ccccc21)c1ccco1
O=C(C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccco1 Fc1cccc(Cl)c1C[*:1] O=C(C[C@@]1(O)C(=O)N(c2ccccc21)[*:1])c1ccco1
C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCN(Cc2ccccn2)CC1 c1ccc(nc1)[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCN(CC1)C[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCN(Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCN(CC1)[*:1]
O=C([O-])c1ccccc1/C=N\NC(=S)NCc1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1ccccc1/C=N\NC(=S)NC[*:1]
O=C([O-])c1ccccc1/C=N\NC(=S)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C([O-])c1ccccc1/C=N\NC(=S)N[*:1]
O=C([O-])c1ccccc1/C=N\NC(=S)NCc1ccccc1 O=C([O-])[*:1] S=C(NCc1ccccc1)N/N=C\c1ccccc1[*:1]
COc1cccc2cc(CN3CC[C@@H](c4cc(C(=O)NCCO)c5ccccc5n4)C3)oc12 OCC[*:1] COc1cccc2cc(CN3CC[C@H](C3)c3cc(C(=O)N[*:1])c4ccccc4n3)oc12
COc1cccc2cc(CN3CC[C@@H](c4cc(C(=O)NCCO)c5ccccc5n4)C3)oc12 O=C(NCCO)[*:1] COc1cccc2cc(CN3CC[C@H](C3)c3cc(c4ccccc4n3)[*:1])oc12
COc1cccc2cc(CN3CC[C@@H](c4cc(C(=O)NCCO)c5ccccc5n4)C3)oc12 COc1cccc2cc(oc12)[*:1] O=C(NCCO)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C[*:1]
O=C(N[C@H](CCO)C1CC1)c1nc(C2CC2)n2ccccc12 OCC[*:1] O=C(N[C@H](C1CC1)[*:1])c1nc(C2CC2)n2ccccc12
O=C(N[C@H](CCO)C1CC1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(N[C@H](CCO)C1CC1)c1nc(n2ccccc12)[*:1]
O=C(N[C@H](CCO)C1CC1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(N[C@H](CCO)[*:1])c1nc(C2CC2)n2ccccc12
Cc1ccc(-c2cccc(CN3CCC[C@H](c4nnc5n4CCC5)C3)c2)cc1 Cc1ccc(cc1)[*:1] c1cc(cc(c1)[*:1])CN1CCC[C@@H](C1)c1nnc2CCCn21
Cc1ccc(-c2cccc(CN3CCC[C@H](c4nnc5n4CCC5)C3)c2)cc1 C1Cc2nnc(n2C1)[*:1] Cc1ccc(cc1)-c1cccc(c1)CN1CCC[C@H](C1)[*:1]
CCOc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)CC2=O)cc1 c1cc2OCOc2cc1[*:1] CCOc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)N[*:1]
CCOc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)CC2=O)cc1 CCO[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCOc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)CC2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc2c(C)c(CC(=O)Nc3ccccn3)c(=O)oc2c1C c1ccc(nc1)[*:1] COc1ccc2c(C)c(CC(=O)N[*:1])c(=O)oc2c1C
CC(C)NC(=O)C[C@@H](C[NH3+])N(C)Cc1ccccc1F CC(C)[*:1] CN(Cc1ccccc1F)[C@H](C[NH3+])CC(=O)N[*:1]
CC(C)NC(=O)C[C@@H](C[NH3+])N(C)Cc1ccccc1F CC(C)NC(=O)[*:1] CN(Cc1ccccc1F)[C@H](C[NH3+])C[*:1]
O[C@@H]1CCCC[C@H]1Sc1nc(-c2cccnc2)n[nH]1 c1cncc(c1)[*:1] O[C@@H]1CCCC[C@H]1Sc1nc(n[nH]1)[*:1]
CN1O[C@@H](CC(=O)NC2CCCC2)N(c2ccc(Cl)cc2)C1=O C1CCC(C1)[*:1] CN1O[C@@H](CC(=O)N[*:1])N(C1=O)c1ccc(Cl)cc1
CN1O[C@@H](CC(=O)NC2CCCC2)N(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CN1O[C@@H](CC(=O)NC2CCCC2)N(C1=O)[*:1]
C/C=C(/C)C(=O)N1CCN(c2[nH+]ncc3ccccc23)CC1 CC=C(C)[*:1] O=C(N1CCN(CC1)c1[nH+]ncc2ccccc12)[*:1]
CC(C)C(=O)N1CCC[C@@H]1C(=O)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] CC(C)C(=O)N1CCC[C@@H]1C(=O)NC1CCN(CC1)C(=O)[*:1]
CC(C)C(=O)N1CCC[C@@H]1C(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC(C)[*:1] O=C(NC1CCN(CC1)C(=O)c1ccoc1)[C@H]1CCCN1C(=O)[*:1]
COC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 COC(=O)[*:1] O=C(Cn1cc(ccc1=O)[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
COC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 O=S(=O)(N1CCOCC1)[*:1] COC(=O)c1ccc(=O)n(c1)CC(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C[NH2+]C(C)C)C[C@H]1COc2ccccc21 CC(C)[*:1] CC[C@H](C[NH2+][*:1])C[C@H]1COc2ccccc21
C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(cc1)[*:1]
C/C=C/C(=O)N[C@H]1CCC[C@H]1OC CC=C[*:1] CO[C@@H]1CCC[C@@H]1NC(=O)[*:1]
C#CC[C@@H](OC(=O)CCn1c(=O)oc2ccccc21)C1CC1 C1CC1[*:1] C#CC[C@@H](OC(=O)CCn1c(=O)oc2ccccc21)[*:1]
C#CC[C@@H](OC(=O)CCn1c(=O)oc2ccccc21)C1CC1 C#CC[*:1] O=C(CCn1c(=O)oc2ccccc21)O[C@@H](C1CC1)[*:1]
COC(=O)[C@@H](O)[C@]1(C[NH3+])CCC[C@H](C)C1 COC(=O)[*:1] C[C@H]1CCC[C@](C[NH3+])(C1)[C@H](O)[*:1]
CCN(Cc1ccccc1)C(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CCN(Cc1ccccc1)C(=O)c1ccc(cc1)[*:1]
CCN(Cc1ccccc1)C(=O)c1ccc(-n2ccnn2)cc1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)-n1ccnn1
CCN(Cc1ccccc1)C(=O)c1ccc(-n2ccnn2)cc1 c1ccc(cc1)C[*:1] CCN(C(=O)c1ccc(cc1)-n1ccnn1)[*:1]
COc1ccccc1CC(=O)Nc1cccc(NC(C)=O)c1 CC(=O)N[*:1] COc1ccccc1CC(=O)Nc1cccc(c1)[*:1]
CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(Cl)cc1)C2 Clc1ccc(cc1)[*:1] CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 CC(=O)[*:1] Cc1ccc(cc1)N([C@H](C)C(=O)Nc1cccc(c1)[*:1])S(C)(=O)=O
CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 Cc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](C)N(S(C)(=O)=O)[*:1]
NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccn2)C1 NC(=O)[*:1] O=C(c1ccccn1)N1CC[C@](Cc2ccccc2-c2cccnc2)(C1)[*:1]
NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccn2)C1 c1ccc(nc1)[*:1] NC(=O)[C@]1(CCN(C1)C(=O)[*:1])Cc1ccccc1-c1cccnc1
NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccn2)C1 c1cncc(c1)[*:1] NC(=O)[C@]1(CCN(C1)C(=O)c1ccccn1)Cc1ccccc1[*:1]
COc1ccc([C@@H](C[NH3+])C(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)[C@@H](C[NH3+])[*:1]
CC(=O)Nc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(C)=O)c1 CC(=O)N[*:1] CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(c1)[*:1]
Cc1nnc2n1CCC[C@@H]2[NH2+]Cc1cccc(OCc2ccccc2F)c1 Fc1ccccc1[*:1] Cc1nnc2[C@H](CCCn12)[NH2+]Cc1cccc(c1)OC[*:1]
Cc1nnc2n1CCC[C@@H]2[NH2+]Cc1cccc(OCc2ccccc2F)c1 Fc1ccccc1C[*:1] Cc1nnc2[C@H](CCCn12)[NH2+]Cc1cccc(c1)O[*:1]
Cc1nnc2n1CCC[C@@H]2[NH2+]Cc1cccc(OCc2ccccc2F)c1 Fc1ccccc1CO[*:1] Cc1nnc2[C@H](CCCn12)[NH2+]Cc1cccc(c1)[*:1]
N#Cc1ccc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1Cl Clc1ccc(cc1)[*:1] N#Cc1ccc(cc1Cl)N1CCC(CC1)[C@@H](O)[*:1]
C[C@H]1CN(Cc2cc(C#CCO)ccc2F)S(=O)(=O)C1 OCC#C[*:1] C[C@H]1CN(Cc2cc(ccc2F)[*:1])S(=O)(=O)C1
Cc1cc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] O=C(CO[*:1])Nc1sc2CCCc2c1C(=O)NC[C@@H]1CCCO1
Cc1cc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)cc(C)c1Cl Cc1cc(cc(C)c1Cl)O[*:1] O=C(C[*:1])Nc1sc2CCCc2c1C(=O)NC[C@@H]1CCCO1
Cc1cc(OCC(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl Cc1cc(ccc1Cl)OC[*:1] CC(C)c1ccc(cc1)CN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc(OCC(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl Cc1cc(ccc1Cl)O[*:1] CC(C)c1ccc(cc1)CN(C(=O)C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc(OCC(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl Cc1cc(ccc1Cl)[*:1] CC(C)c1ccc(cc1)CN(C(=O)CO[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc(OCC(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl CC(C)c1ccc(cc1)[*:1] Cc1cc(ccc1Cl)OCC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc(OCC(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl CC(C)c1ccc(cc1)C[*:1] Cc1cc(ccc1Cl)OCC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(OCC(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl CC(C)[*:1] Cc1cc(ccc1Cl)OCC(=O)N(Cc1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCN[C@]1(C#N)CCC[C@H](Sc2ccccc2C)C1 CCC[*:1] Cc1ccccc1S[C@H]1CCC[C@](C#N)(C1)N[*:1]
CCCN[C@]1(C#N)CCC[C@H](Sc2ccccc2C)C1 CCCN[*:1] Cc1ccccc1S[C@H]1CCC[C@@](C#N)(C1)[*:1]
O=C(NCCN1CCN(S(=O)(=O)C2CC2)CC1)c1ccc2c(c1)OCO2 C1CC1[*:1] O=C(NCCN1CCN(CC1)S(=O)(=O)[*:1])c1ccc2OCOc2c1
O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1cc(F)ccc1O Fc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)c1cc(F)ccc1O
O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1cc(F)ccc1O Oc1ccc(F)cc1[*:1] O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)[*:1]
Cc1nc2ccc(C(=O)N3CCC(=O)N(CC4CC4)[C@@H](C(C)C)C3)cc2nc1C C1CC1[*:1] Cc1nc2ccc(cc2nc1C)C(=O)N1CCC(=O)N(C[*:1])[C@H](C1)C(C)C
Cc1nc2ccc(C(=O)N3CCC(=O)N(CC4CC4)[C@@H](C(C)C)C3)cc2nc1C CC(C)[*:1] Cc1nc2ccc(cc2nc1C)C(=O)N1CCC(=O)N(CC2CC2)[C@@H](C1)[*:1]
Cc1nc2ccc(C(=O)N3CCC(=O)N(CC4CC4)[C@@H](C(C)C)C3)cc2nc1C C1CC1C[*:1] Cc1nc2ccc(cc2nc1C)C(=O)N1CCC(=O)N([C@H](C1)C(C)C)[*:1]
Cc1c(C(=O)NCc2ccc(F)cc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NCc1ccc(F)cc1
CC(=O)N1c2cc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c(Br)cc2C[C@@H]1C c1cc2OCOc2cc1[*:1] CC(=O)N1c2cc(c(Br)cc2C[C@@H]1C)S(=O)(=O)NC[*:1]
Cc1cccc(C)c1C(=O)NCC(=O)NCC(C)C CC(C)[*:1] Cc1cccc(C)c1C(=O)NCC(=O)NC[*:1]
Cc1cccc(C)c1C(=O)NCC(=O)NCC(C)C CC(C)C[*:1] Cc1cccc(C)c1C(=O)NCC(=O)N[*:1]
COc1ccc(C(=O)CSc2nnc3n(C)c(=O)c4ccc(C(=O)NC5CCCC5)cc4n23)cc1 COc1ccc(cc1)C(=O)[*:1] Cn1c(=O)c2ccc(cc2n2c(nnc12)SC[*:1])C(=O)NC1CCCC1
COc1ccc(C(=O)CSc2nnc3n(C)c(=O)c4ccc(C(=O)NC5CCCC5)cc4n23)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)c2ccc(cc2n2c(nnc12)SCC(=O)[*:1])C(=O)NC1CCCC1
COc1ccc(C(=O)CSc2nnc3n(C)c(=O)c4ccc(C(=O)NC5CCCC5)cc4n23)cc1 O=C(NC1CCCC1)[*:1] COc1ccc(cc1)C(=O)CSc1nnc2n(C)c(=O)c3ccc(cc3n12)[*:1]
COc1ccc(C(=O)CSc2nnc3n(C)c(=O)c4ccc(C(=O)NC5CCCC5)cc4n23)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)C(=O)CSc1nnc2n(C)c(=O)c3ccc(cc3n12)C(=O)N[*:1]
COc1ccc(C(=O)CSc2nnc3n(C)c(=O)c4ccc(C(=O)NC5CCCC5)cc4n23)cc1 COc1ccc(cc1)C(=O)C[*:1] Cn1c(=O)c2ccc(cc2n2c(nnc12)S[*:1])C(=O)NC1CCCC1
CC(=O)Nc1cc(/N=C/c2cc(Cl)ccc2O)ccc1Cl CC(=O)N[*:1] Oc1ccc(Cl)cc1/C=N/c1ccc(Cl)c(c1)[*:1]
CCNC(=O)COc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1 CCNC(=O)C[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cccc(c1)O[*:1]
CCNC(=O)COc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1 Fc1ccccc1[*:1] CCNC(=O)COc1cccc(c1)NC(=O)N(C)[C@@H](C)[*:1]
CCNC(=O)COc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1 CCNC(=O)[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cccc(c1)OC[*:1]
CCNC(=O)COc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1 CCNC(=O)CO[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cccc(c1)[*:1]
O=c1c2ncccc2n(Cc2ccc(Cl)cc2Cl)c(=O)n1Cc1ccccn1 c1ccc(C[*:1])nc1 O=c1c2ncccc2n(Cc2ccc(Cl)cc2Cl)c(=O)n1[*:1]
O=c1c2ncccc2n(Cc2ccc(Cl)cc2Cl)c(=O)n1Cc1ccccn1 Clc1ccc(c(Cl)c1)[*:1] O=c1c2ncccc2n(C[*:1])c(=O)n1Cc1ccccn1
O=c1c2ncccc2n(Cc2ccc(Cl)cc2Cl)c(=O)n1Cc1ccccn1 c1ccc(nc1)[*:1] O=c1c2ncccc2n(Cc2ccc(Cl)cc2Cl)c(=O)n1C[*:1]
O=c1c2ncccc2n(Cc2ccc(Cl)cc2Cl)c(=O)n1Cc1ccccn1 Clc1ccc(C[*:1])c(Cl)c1 O=c1c2ncccc2n(c(=O)n1Cc1ccccn1)[*:1]
Cn1c(=O)oc2cc([N-]S(=O)(=O)c3ccc(Br)s3)ccc21 Brc1ccc(s1)[*:1] Cn1c(=O)oc2cc(ccc21)[N-]S(=O)(=O)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@@H](CN1CCCC1=O)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 O=C1CCCN1[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@@H](C[*:1])c1ccccc1
Cc1ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 O=C1CCCN1C[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@@H](c1ccccc1)[*:1]
CCC(=O)N(CCCO)[C@@H]1CCOC(C)(C)C1 OCC[*:1] CCC(=O)N(C[*:1])[C@@H]1CCOC(C)(C)C1
CCC(=O)N(CCCO)[C@@H]1CCOC(C)(C)C1 OCCC[*:1] CCC(=O)N([C@@H]1CCOC(C)(C)C1)[*:1]
C[C@H](NC(=O)NC[C@H]1CCCO1)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)NC[C@H]1CCCO1)[*:1]
C[C@H](NC(=O)NC[C@H]1CCCO1)c1cccs1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)NC[*:1])c1cccs1
CN(Cc1ccc(C#N)cc1)CN1C(=O)CC2(CCCCC2)C1=O N#Cc1ccc(cc1)[*:1] CN(CN1C(=O)CC2(CCCCC2)C1=O)C[*:1]
COC[C@](C)(NC(=O)NCCc1ccccc1F)c1ccccc1 COC[*:1] C[C@](NC(=O)NCCc1ccccc1F)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)NCCc1ccccc1F)c1ccccc1 Fc1ccccc1C[*:1] COC[C@](C)(NC(=O)NC[*:1])c1ccccc1
COC[C@](C)(NC(=O)NCCc1ccccc1F)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)NCCc1ccccc1F)[*:1]
COC[C@](C)(NC(=O)NCCc1ccccc1F)c1ccccc1 Fc1ccccc1[*:1] COC[C@](C)(NC(=O)NCC[*:1])c1ccccc1
Cc1cc(C[NH+]2CCN([C@H](C)C(N)=O)CC2)ccc1F C[C@H](C(N)=O)[*:1] Cc1cc(ccc1F)C[NH+]1CCN(CC1)[*:1]
Cc1cc(C[NH+]2CCN([C@H](C)C(N)=O)CC2)ccc1F NC(=O)[*:1] Cc1cc(ccc1F)C[NH+]1CCN(CC1)[C@H](C)[*:1]
Cc1sc(=O)n(CCC(=O)NNc2ncccc2Cl)c1C Clc1cccnc1[*:1] Cc1sc(=O)n(CCC(=O)NN[*:1])c1C
COc1ccc([C@H]2CCCCCN2C(=O)CCn2nc(-c3cccs3)oc2=O)cc1 c1csc(c1)[*:1] COc1ccc(cc1)[C@H]1CCCCCN1C(=O)CCn1nc(oc1=O)[*:1]
COc1ccc([C@H]2CCCCCN2C(=O)CCn2nc(-c3cccs3)oc2=O)cc1 COc1ccc(cc1)[*:1] O=C(CCn1nc(oc1=O)-c1cccs1)N1CCCCC[C@@H]1[*:1]
CCc1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)n1-n1cccc1 Clc1cccc(Cl)c1[*:1] CCc1nnc(SCC(=O)N[*:1])n1-n1cccc1
Cc1ccccc1-c1cn2c(C(=O)N(C)CCN3CCOCC3)csc2n1 C1CN(CCO1)CC[*:1] Cc1ccccc1-c1cn2c(csc2n1)C(=O)N(C)[*:1]
Cc1ccccc1-c1cn2c(C(=O)N(C)CCN3CCOCC3)csc2n1 C1CN(CCO1)C[*:1] Cc1ccccc1-c1cn2c(csc2n1)C(=O)N(C)C[*:1]
Cc1ccccc1-c1cn2c(C(=O)N(C)CCN3CCOCC3)csc2n1 Cc1ccccc1[*:1] CN(CCN1CCOCC1)C(=O)c1csc2nc(cn12)[*:1]
Cc1ccccc1-c1cn2c(C(=O)N(C)CCN3CCOCC3)csc2n1 C1CN(CCO1)[*:1] Cc1ccccc1-c1cn2c(csc2n1)C(=O)N(C)CC[*:1]
CC[C@H](C#N)OC(=O)c1ccc(OCC2CC2)cc1 C1CC1CO[*:1] CC[C@H](C#N)OC(=O)c1ccc(cc1)[*:1]
CC[C@H](C#N)OC(=O)c1ccc(OCC2CC2)cc1 C1CC1[*:1] CC[C@H](C#N)OC(=O)c1ccc(cc1)OC[*:1]
CC[C@H](C#N)OC(=O)c1ccc(OCC2CC2)cc1 C1CC1C[*:1] CC[C@H](C#N)OC(=O)c1ccc(cc1)O[*:1]
C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cc[nH]n2)C1 C=CCNC(=O)[*:1] O=C(c1cc[nH]n1)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C1)[*:1]
C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cc[nH]n2)C1 c1cncc(c1)[*:1] C=CCNC(=O)[C@@]1(CCCN(C1)C(=O)c1cc[nH]n1)Cc1ccccc1[*:1]
C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cc[nH]n2)C1 C=CC[*:1] O=C(c1cc[nH]n1)N1CCC[C@](Cc2ccccc2-c2cccnc2)(C1)C(=O)N[*:1]
COc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C)cc1)cn2C Cc1ccc(cc1)[*:1] COc1ccc2c(c1)c(=O)c(cn2C)C(=O)N[*:1]
Fc1ccccc1-c1cc(NCCCN2CCOCC2)nc(-c2cccnc2)n1 C1CN(CCO1)C[*:1] Fc1ccccc1-c1cc(nc(n1)-c1cccnc1)NCC[*:1]
Fc1ccccc1-c1cc(NCCCN2CCOCC2)nc(-c2cccnc2)n1 C1CN(CCO1)[*:1] Fc1ccccc1-c1cc(nc(n1)-c1cccnc1)NCCC[*:1]
Fc1ccccc1-c1cc(NCCCN2CCOCC2)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] Fc1ccccc1-c1cc(nc(n1)[*:1])NCCCN1CCOCC1
Fc1ccccc1-c1cc(NCCCN2CCOCC2)nc(-c2cccnc2)n1 C(CN1CCOCC1)C[*:1] Fc1ccccc1-c1cc(nc(n1)-c1cccnc1)N[*:1]
Fc1ccccc1-c1cc(NCCCN2CCOCC2)nc(-c2cccnc2)n1 Fc1ccccc1[*:1] c1cncc(c1)-c1nc(cc(n1)[*:1])NCCCN1CCOCC1
Fc1ccccc1-c1cc(NCCCN2CCOCC2)nc(-c2cccnc2)n1 C1CN(CCO1)CC[*:1] Fc1ccccc1-c1cc(nc(n1)-c1cccnc1)NC[*:1]
COC(=O)CNC(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@H]21 COC(=O)[*:1] O=C(NC[*:1])N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@H]21
COC(=O)CNC(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@H]21 c1ccc(cc1)[*:1] COC(=O)CNC(=O)N1CC[C@@](O)([C@@H]2CCCC[C@H]21)[*:1]
COC(=O)CNC(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@H]21 COC(=O)C[*:1] O=C(N[*:1])N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@H]21
C=CCNC(=O)CN1CCN(c2ccc(OCC)cc2)C1=O C=CC[*:1] CCOc1ccc(cc1)N1CCN(CC(=O)N[*:1])C1=O
C=CCNC(=O)CN1CCN(c2ccc(OCC)cc2)C1=O CCO[*:1] C=CCNC(=O)CN1CCN(C1=O)c1ccc(cc1)[*:1]
C=CCNC(=O)CN1CCN(c2ccc(OCC)cc2)C1=O C=CCNC(=O)[*:1] CCOc1ccc(cc1)N1CCN(C[*:1])C1=O
C=CCNC(=O)CN1CCN(c2ccc(OCC)cc2)C1=O C=CCNC(=O)C[*:1] CCOc1ccc(cc1)N1CCN(C1=O)[*:1]
CC(C)(C)NC(=O)CNC(=O)c1cc(-c2ccc(Cl)s2)on1 CC(C)(C)NC(=O)[*:1] O=C(NC[*:1])c1cc(on1)-c1ccc(Cl)s1
CC(C)(C)NC(=O)CNC(=O)c1cc(-c2ccc(Cl)s2)on1 Clc1ccc(s1)[*:1] CC(C)(C)NC(=O)CNC(=O)c1cc(on1)[*:1]
CC(C)(C)NC(=O)CNC(=O)c1cc(-c2ccc(Cl)s2)on1 CC(C)(C)[*:1] O=C(CNC(=O)c1cc(on1)-c1ccc(Cl)s1)N[*:1]
COC(=O)[C@@](NC(=O)c1cccc(F)c1)(Nc1cccc(C)n1)C(F)(F)F Fc1cccc(c1)[*:1] COC(=O)[C@@](NC(=O)[*:1])(Nc1cccc(C)n1)C(F)(F)F
COC(=O)[C@@](NC(=O)c1cccc(F)c1)(Nc1cccc(C)n1)C(F)(F)F Cc1cccc(n1)[*:1] COC(=O)[C@@](NC(=O)c1cccc(F)c1)(N[*:1])C(F)(F)F
COC(=O)[C@@](NC(=O)c1cccc(F)c1)(Nc1cccc(C)n1)C(F)(F)F COC(=O)[*:1] Cc1cccc(n1)N[C@](NC(=O)c1cccc(F)c1)(C(F)(F)F)[*:1]
COC(=O)[C@@](NC(=O)c1cccc(F)c1)(Nc1cccc(C)n1)C(F)(F)F Cc1cccc(n1)N[*:1] COC(=O)[C@@](NC(=O)c1cccc(F)c1)(C(F)(F)F)[*:1]
COC(=O)[C@@](NC(=O)c1cccc(F)c1)(Nc1cccc(C)n1)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@@](NC(=O)c1cccc(F)c1)(Nc1cccc(C)n1)[*:1]
CCC(CC)c1nnc(NC(=O)[C@H](C)c2cccs2)s1 CCC(CC)[*:1] C[C@@H](C(=O)Nc1nnc(s1)[*:1])c1cccs1
CCC(CC)c1nnc(NC(=O)[C@H](C)c2cccs2)s1 c1csc(c1)[*:1] CCC(CC)c1nnc(NC(=O)[C@H](C)[*:1])s1
Cc1ccc(-c2n[nH]cc2CN2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN1CC[C@@H](C1)S(=O)(=O)N[*:1]
Cc1ccc(-c2n[nH]cc2CN2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1 O=S(=O)(NC1CC1)[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN1CC[C@H](C1)[*:1]
Cc1ccc(-c2n[nH]cc2CN2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NC1CC1)[C@H]1CCN(Cc2c[nH]nc2[*:1])C1
Cc1ccc(Cl)c(OC(=O)c2ccccc2SCC(N)=O)c1 NC(=O)[*:1] Cc1ccc(Cl)c(c1)OC(=O)c1ccccc1SC[*:1]
Cc1ccc(Cl)c(OC(=O)c2ccccc2SCC(N)=O)c1 NC(=O)CS[*:1] Cc1ccc(Cl)c(c1)OC(=O)c1ccccc1[*:1]
Cc1ccc(Cl)c(OC(=O)c2ccccc2SCC(N)=O)c1 NC(=O)C[*:1] Cc1ccc(Cl)c(c1)OC(=O)c1ccccc1S[*:1]
Cc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)-c1cc(C(=O)Nc2c(C)n(C)n(c2=O)[*:1])c2ccccc2n1
Cc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)o1 Cc1ccc(o1)[*:1] Cc1c(NC(=O)c2cc(nc3ccccc23)[*:1])c(=O)n(-c2ccccc2)n1C
O=C(Cc1noc2ccccc12)N1CC(c2nc(-c3ncccn3)no2)C1 c1cnc(nc1)[*:1] O=C(Cc1noc2ccccc12)N1CC(C1)c1nc(no1)[*:1]
O=C(Cc1noc2ccccc12)N1CC(c2nc(-c3ncccn3)no2)C1 c1ccc2c(noc2c1)[*:1] O=C(C[*:1])N1CC(C1)c1nc(no1)-c1ncccn1
Brc1csc(-c2noc(CN3CCO[C@@H]4CCCC[C@@H]43)n2)c1 Brc1csc(c1)[*:1] C1CC[C@H]2OCCN(Cc3nc(no3)[*:1])[C@H]2C1
CCCC1(CNC(=O)Nc2ccccc2-n2nc(C)nc2C)CC1 Cc1nc(C)n(n1)[*:1] CCCC1(CC1)CNC(=O)Nc1ccccc1[*:1]
CCCC1(CNC(=O)Nc2ccccc2-n2nc(C)nc2C)CC1 CCCC1(CC1)[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)NC[*:1]
CCCC1(CNC(=O)Nc2ccccc2-n2nc(C)nc2C)CC1 CCCC1(CC1)C[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N[*:1]
CCCC1(CNC(=O)Nc2ccccc2-n2nc(C)nc2C)CC1 CCC[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)NCC1(CC1)[*:1]
Cc1cnc([C@@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)s1 Cc1cnc(s1)[*:1] CC(C)[C@@H](CNC(=O)N[C@@H](C1CC1)[*:1])N1CC[NH+](C)CC1
Cc1cnc([C@@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)s1 CC(C)[*:1] Cc1cnc(s1)[C@@H](NC(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[*:1]
O=S(=O)(c1ccc(Nc2ccc(-c3ccccc3F)nn2)cc1)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Fc1ccccc1-c1ccc(nn1)Nc1ccc(cc1)[*:1]
O=S(=O)(c1ccc(Nc2ccc(-c3ccccc3F)nn2)cc1)N1CCCCC1 Fc1ccccc1[*:1] O=S(=O)(c1ccc(cc1)Nc1ccc(nn1)[*:1])N1CCCCC1
C[C@@H](CNC(=O)NCc1ccc(Cl)cc1Cl)CN1CC[NH+](C)CC1 Clc1ccc(c(Cl)c1)[*:1] C[C@@H](CNC(=O)NC[*:1])CN1CC[NH+](C)CC1
Cc1ccc(NC(=O)c2c(C)oc3ncnc(N4CCOCC4)c23)cc1F Cc1ccc(cc1F)[*:1] Cc1oc2ncnc(c2c1C(=O)N[*:1])N1CCOCC1
Cc1ccc(NC(=O)c2c(C)oc3ncnc(N4CCOCC4)c23)cc1F C1CN(CCO1)[*:1] Cc1ccc(cc1F)NC(=O)c1c(C)oc2ncnc(c12)[*:1]
CC1=C(C(N)=O)[C@@H](c2ccc(Br)cc2)N2NC(c3ccccc3)=NC2=N1 c1ccc(cc1)[*:1] CC1N=C2N=C(NN2[C@@H](C=1C(N)=O)c1ccc(Br)cc1)[*:1]
CC1=C(C(N)=O)[C@@H](c2ccc(Br)cc2)N2NC(c3ccccc3)=NC2=N1 NC(=O)[*:1] CC1N=C2N=C(NN2[C@@H](C=1[*:1])c1ccc(Br)cc1)c1ccccc1
CC1=C(C(N)=O)[C@@H](c2ccc(Br)cc2)N2NC(c3ccccc3)=NC2=N1 Brc1ccc(cc1)[*:1] CC1N=C2N=C(NN2[C@H](C=1C(N)=O)[*:1])c1ccccc1
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](C)c2sc(C)nc2C)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)N[C@H](C)c1sc(C)nc1C
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](C)c2sc(C)nc2C)c1 Cc1nc(C)c(s1)[*:1] CC(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)[*:1])NC(C)=O
C[C@@]1(c2ccc(NC(=O)/C=C/c3cccnc3)cc2)NC(=O)NC1=O C(=C[*:1])c1cccnc1 C[C@]1(NC(=O)NC1=O)c1ccc(cc1)NC(=O)[*:1]
C[C@@]1(c2ccc(NC(=O)/C=C/c3cccnc3)cc2)NC(=O)NC1=O c1cncc(c1)[*:1] C[C@]1(NC(=O)NC1=O)c1ccc(cc1)NC(=O)C=C[*:1]
Cn1ncc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c1-n1cccc1 O=C(N1CCCC1)[*:1] Cn1ncc(C(=O)N2CCC(CC2)C[*:1])c1-n1cccc1
Cn1ncc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c1-n1cccc1 O=C(C[*:1])N1CCCC1 Cn1ncc(C(=O)N2CCC(CC2)[*:1])c1-n1cccc1
Cn1ncc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c1-n1cccc1 c1ccn(c1)[*:1] Cn1ncc(C(=O)N2CCC(CC2)CC(=O)N2CCCC2)c1[*:1]
Cc1ccccc1-c1ncc(C[NH+]2CCn3cncc3C2)s1 Cc1ccccc1[*:1] c1nc(sc1C[NH+]1CCn2cncc2C1)[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)c2cnn3cc(Br)cnc23)cc1 Cc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)c1cnn2cc(Br)cnc12)[*:1]
O=C([O-])[C@H]1CCCN(C(=O)c2cccc3[nH]ccc23)C1 O=C([O-])[*:1] O=C(c1cccc2[nH]ccc12)N1CCC[C@@H](C1)[*:1]
C[C@H](Oc1ccc(C(=O)NCCc2ccccc2)cc1)C(=O)NN c1ccc(cc1)CC[*:1] C[C@H](Oc1ccc(cc1)C(=O)N[*:1])C(=O)NN
C[C@H](Oc1ccc(C(=O)NCCc2ccccc2)cc1)C(=O)NN c1ccc(cc1)C[*:1] C[C@H](Oc1ccc(cc1)C(=O)NC[*:1])C(=O)NN
C[C@H](Oc1ccc(C(=O)NCCc2ccccc2)cc1)C(=O)NN c1ccc(cc1)[*:1] C[C@H](Oc1ccc(cc1)C(=O)NCC[*:1])C(=O)NN
C[C@H](Oc1ccc(C(=O)NCCc2ccccc2)cc1)C(=O)NN NNC(=O)[*:1] C[C@H](Oc1ccc(cc1)C(=O)NCCc1ccccc1)[*:1]
C[C@H](Oc1ccc(C(=O)NCCc2ccccc2)cc1)C(=O)NN C[C@H](O[*:1])C(=O)NN O=C(NCCc1ccccc1)c1ccc(cc1)[*:1]
Cc1ncsc1CCOc1cncc(C[NH2+]C2CC2)n1 C1CC1[*:1] Cc1ncsc1CCOc1cncc(C[NH2+][*:1])n1
Cc1ncsc1CCOc1cncc(C[NH2+]C2CC2)n1 Cc1ncsc1[*:1] c1ncc(nc1C[NH2+]C1CC1)OCC[*:1]
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)cn2C)cc1 Cc1ccc(cc1)[*:1] Cn1cc(cc1C(=O)N[*:1])S(=O)(=O)N1CCc2ccccc21
COC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 COC(=O)C[*:1] Fc1ccc(cc1)-c1nnc(S[*:1])c2ccccc12
COC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 Fc1ccc(cc1)[*:1] COC(=O)CSc1nnc(c2ccccc12)[*:1]
COC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 COC(=O)CS[*:1] Fc1ccc(cc1)-c1nnc(c2ccccc12)[*:1]
COC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 COC(=O)[*:1] Fc1ccc(cc1)-c1nnc(SC[*:1])c2ccccc12
Cc1ccc([C@](O)(CC(=O)NNC(=O)c2oc3ccccc3c2C)C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@](O)(CC(=O)NNC(=O)c1oc2ccccc2c1C)[*:1]
Cc1ccc([C@](O)(CC(=O)NNC(=O)c2oc3ccccc3c2C)C(F)(F)F)o1 Cc1ccc(o1)[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)C[C@@](O)(C(F)(F)F)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)CCc1nc2cc(ccc2n1C)S(=O)(=O)N(C)C
CN(Cc1c(F)cccc1Cl)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C Fc1cccc(Cl)c1C[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(C)[*:1])n2C
CN(Cc1c(F)cccc1Cl)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C CN(C)S(=O)(=O)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)CCc1nc2cc(ccc2n1C)[*:1]
O=C(NCc1cccc(Br)c1)c1cn[nH]c1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCc1cccc(Br)c1)c1cn[nH]c1[*:1]
O=C(NCc1cccc(Br)c1)c1cn[nH]c1-c1cccc(Cl)c1 Brc1cccc(c1)[*:1] O=C(NC[*:1])c1cn[nH]c1-c1cccc(Cl)c1
Cc1nc(-c2c[nH]c(C(=O)NNC(=O)[C@@H](C)Oc3cccc(C)c3C)c2)cs1 Cc1nc(cs1)[*:1] Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cc(c[nH]2)[*:1])c1C
Cc1nc(-c2c[nH]c(C(=O)NNC(=O)[C@@H](C)Oc3cccc(C)c3C)c2)cs1 Cc1cccc(O[*:1])c1C Cc1nc(cs1)-c1c[nH]c(c1)C(=O)NNC(=O)[C@@H](C)[*:1]
Cc1nc(-c2c[nH]c(C(=O)NNC(=O)[C@@H](C)Oc3cccc(C)c3C)c2)cs1 Cc1cccc(c1C)[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)NNC(=O)[C@@H](C)O[*:1]
COc1ccc(-[n+]2noc([O-])c2C(=O)NCc2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccccc1Cl)c1c([O-])on[n+]1[*:1]
COc1ccc(-[n+]2noc([O-])c2C(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-[n+]1noc([O-])c1C(=O)NC[*:1]
COc1ccc(-[n+]2noc([O-])c2C(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)-[n+]1noc([O-])c1C(=O)N[*:1]
S=c1[nH]nc(-c2ccco2)n1/N=C\c1cccc(Br)c1 c1coc(c1)[*:1] S=c1[nH]nc(n1/N=C\c1cccc(Br)c1)[*:1]
CCCn1c(C)nn(C[NH+]2CCC(C(=O)NC(C)C)CC2)c1=S CC(C)[*:1] CCCn1c(C)nn(C[NH+]2CCC(CC2)C(=O)N[*:1])c1=S
CCCn1c(C)nn(C[NH+]2CCC(C(=O)NC(C)C)CC2)c1=S CCC[*:1] Cc1nn(C[NH+]2CCC(CC2)C(=O)NC(C)C)c(=S)n1[*:1]
CCCn1c(C)nn(C[NH+]2CCC(C(=O)NC(C)C)CC2)c1=S CC(C)NC(=O)[*:1] CCCn1c(C)nn(C[NH+]2CCC(CC2)[*:1])c1=S
CCN(C)c1cccc(NC(=O)NC[C@H]2COc3ccccc3O2)c1 CCN(C)[*:1] O=C(NC[C@H]1COc2ccccc2O1)Nc1cccc(c1)[*:1]
CCn1nc(C)c(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1C O=[N+]([O-])[*:1] CCn1nc(C)c(NC(=O)NCCOc2ccc(cc2)[*:1])c1C
O=C(CCS(=O)(=O)c1ccccn1)Nc1ccc(Cl)cc1F c1ccc(nc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1ccc(Cl)cc1F
COc1ccc2cc(Br)ccc2c1CC(=O)Nc1nc(C)cs1 Cc1csc(n1)[*:1] COc1ccc2cc(Br)ccc2c1CC(=O)N[*:1]
CC(C)/C(N)=N/OC(=O)c1ccc(I)cc1 CC(C)[*:1] N/C(=N\OC(=O)c1ccc(I)cc1)[*:1]
CCc1nc(CNCc2cc(=O)c3cccc(Cl)c3[nH]2)cs1 CCc1nc(cs1)[*:1] O=c1cc(CNC[*:1])[nH]c2c(Cl)cccc12
Cc1cc(C)cc(C2=CCN(C(=O)[C@@H](C)O)CC2)c1 C[C@@H](O)[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(F)c1I C[C@@H]1C[C@H]1[*:1] O=C(Nc1cccc(F)c1I)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N(CC#N)C1CCCC1 C1CCC(C1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N(CC#N)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N(CC#N)C1CCCC1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)N(CC#N)C1CCCC1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N(CC#N)C1CCCC1 N#CC[*:1] Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N(C1CCCC1)[*:1]
O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(CN1CCN(CC1)C(=O)[C@H]1CCCO1)N[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)[C@@H]1CC(c2ccccc2)=NO1 c1ccc(cc1)[*:1] O=C(N[C@@H](C1CC1)[*:1])[C@@H]1CC(=NO1)c1ccccc1
O=C(N[C@@H](c1ccccc1)C1CC1)[C@@H]1CC(c2ccccc2)=NO1 c1ccc(cc1)[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)[C@@H]1CC(=NO1)[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)[C@@H]1CC(c2ccccc2)=NO1 C1CC1[*:1] O=C(N[C@@H](c1ccccc1)[*:1])[C@@H]1CC(=NO1)c1ccccc1
C=C(Cl)CN(CCC#N)CCC(F)(F)F C=C(Cl)[*:1] N#CCCN(CCC(F)(F)F)C[*:1]
C=C(Cl)CN(CCC#N)CCC(F)(F)F N#CCC[*:1] C=C(Cl)CN(CCC(F)(F)F)[*:1]
C=C(Cl)CN(CCC#N)CCC(F)(F)F C=C(Cl)C[*:1] N#CCCN(CCC(F)(F)F)[*:1]
C=C(Cl)CN(CCC#N)CCC(F)(F)F FC(F)(F)[*:1] C=C(Cl)CN(CCC#N)CC[*:1]
C=C(Cl)CN(CCC#N)CCC(F)(F)F FC(F)(F)C[*:1] C=C(Cl)CN(CCC#N)C[*:1]
C=C(Cl)CN(CCC#N)CCC(F)(F)F N#CC[*:1] C=C(Cl)CN(CCC(F)(F)F)C[*:1]
COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COc1ccc2C3=NN(C(C)=O)[C@@H]([C@H]3CCc2c1)[*:1]
CC(C)C/N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 CC(C)C[*:1] O=C(C[C@H]1SC(=N[*:1])NC1=O)Nc1cccc(Cl)c1Cl
CC(C)C/N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 CC(C)[*:1] O=C(C[C@H]1S/C(=N/C[*:1])NC1=O)Nc1cccc(Cl)c1Cl
CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c1 c1cc(ccn1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)C(=O)NCC1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c1 CC(=O)N[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccncc1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccncc1)C(=O)N[*:1]
CCOC(=O)c1cnn(C)c1NC(=O)[C@H](Br)CC CCOC(=O)[*:1] CC[C@@H](Br)C(=O)Nc1c(cnn1C)[*:1]
CCOC(=O)c1cnn(C)c1NC(=O)[C@H](Br)CC CC[C@@H](Br)[*:1] CCOC(=O)c1cnn(C)c1NC(=O)[*:1]
O=CNc1ccc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 O=CN[*:1] O=C(c1ccc(cc1)[*:1])N1CCCC[C@@H]1c1cc2ccccc2[nH]1
Cc1ccc(C)c(-n2ncc(NC(=O)NCC(C)(C)c3ccncc3)c2C)c1 CC(C)(c1ccncc1)[*:1] Cc1ccc(C)c(c1)-n1ncc(NC(=O)NC[*:1])c1C
Cc1ccc(C)c(-n2ncc(NC(=O)NCC(C)(C)c3ccncc3)c2C)c1 c1cc(ccn1)[*:1] Cc1ccc(C)c(c1)-n1ncc(NC(=O)NCC(C)(C)[*:1])c1C
Cc1ccc(C)c(-n2ncc(NC(=O)NCC(C)(C)c3ccncc3)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1c(cnn1[*:1])NC(=O)NCC(C)(C)c1ccncc1
Cn1cnc2c1c(=O)n(CCCSc1nnc(N3CCCC3)n1C1CC1)c(=O)n2C C1CCN(C1)[*:1] Cn1cnc2c1c(=O)n(CCCSc1nnc(n1C1CC1)[*:1])c(=O)n2C
Cn1cnc2c1c(=O)n(CCCSc1nnc(N3CCCC3)n1C1CC1)c(=O)n2C C1CC1[*:1] Cn1cnc2c1c(=O)n(CCCSc1nnc(N3CCCC3)n1[*:1])c(=O)n2C
CCc1cccc(C)c1NC(=O)NCC1CC1 C1CC1C[*:1] CCc1cccc(C)c1NC(=O)N[*:1]
CCc1cccc(C)c1NC(=O)NCC1CC1 C1CC1[*:1] CCc1cccc(C)c1NC(=O)NC[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cnn(CC(F)F)c1 CC[C@@H](C)NC(=O)[*:1] C[C@H](NC(=O)Nc1cnn(c1)CC(F)F)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cnn(CC(F)F)c1 FC(F)C[*:1] CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cnn(c1)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cnn(CC(F)F)c1 CC[C@@H](C)[*:1] C[C@H](NC(=O)Nc1cnn(c1)CC(F)F)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cnn(CC(F)F)c1 FC(F)[*:1] CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cnn(c1)C[*:1]
CC1=C[C@H](C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)N=N1 c1cnn(c1)[*:1] CC1=C[C@@H](N=N1)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
CCN1C[C@@H](C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)CC1=O CCN1C[C@@H](CC1=O)[*:1] O=C(N1CCC[C@H]1c1nc2ccccc2[nH]1)[*:1]
O=CNc1ccc(Br)cc1 O=CN[*:1] Brc1ccc(cc1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)C1 c1cnn(c1)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)C1 CC(=O)N[*:1] C[C@H](NC(=O)N1CCC[C@H](C1)[*:1])c1cccc(c1)-n1cccn1
Cc1ccc(C(=O)C(=O)NCc2ccccc2Cn2cncn2)cc1 c1ncn(n1)[*:1] Cc1ccc(cc1)C(=O)C(=O)NCc1ccccc1C[*:1]
Cc1ccc(C(=O)C(=O)NCc2ccccc2Cn2cncn2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccccc1Cn1cncn1)C(=O)[*:1]
Cc1ccc(C(=O)C(=O)NCc2ccccc2Cn2cncn2)cc1 c1ncn(C[*:1])n1 Cc1ccc(cc1)C(=O)C(=O)NCc1ccccc1[*:1]
CCOC(=O)[C@@H](C(C)C)[C@H](O)c1cnn(C)c1C CCOC(=O)[*:1] Cc1c(cnn1C)[C@@H](O)[C@H](C(C)C)[*:1]
CCOC(=O)[C@@H](C(C)C)[C@H](O)c1cnn(C)c1C CC(C)[*:1] CCOC(=O)[C@@H]([C@H](O)c1cnn(C)c1C)[*:1]
COc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cn(nc1C(=O)N(C)[C@@H](C)[*:1])-c1ccccc1
COc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 c1ccc(cc1)[*:1] COc1cn(nc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1)[*:1]
Cc1ccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2cccc(Cl)c2)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1[nH]nc2nc(SC[*:1])n(-c3cccc(Cl)c3)c(=[NH2+])c12
Cc1ccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)CSc1nc2n[nH]c(C)c2c(=[NH2+])n1[*:1]
Cc1ccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2cccc(Cl)c2)cc1 Cc1ccc(cc1)[*:1] Cc1[nH]nc2nc(SCC(=O)N[*:1])n(-c3cccc(Cl)c3)c(=[NH2+])c12
C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)C[C@@H](C)O1 Fc1cccc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(c1ccc(s1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(s1)-c1nc2ccccc2s1)N1CCN(CC1)S(=O)(=O)[*:1]
Cn1cc(C(=O)Nc2sccc2C(=O)NC2CC2)ccc1=O O=C(NC1CC1)[*:1] Cn1cc(ccc1=O)C(=O)Nc1sccc1[*:1]
Cn1cc(C(=O)Nc2sccc2C(=O)NC2CC2)ccc1=O C1CC1[*:1] Cn1cc(ccc1=O)C(=O)Nc1sccc1C(=O)N[*:1]
CC1(C)CCN(c2nc(C[C@H]([NH3+])c3ccccc3)cs2)C1 CC1(C)CCN(C1)[*:1] [NH3+][C@@H](Cc1csc(n1)[*:1])c1ccccc1
CC1(C)CCN(c2nc(C[C@H]([NH3+])c3ccccc3)cs2)C1 c1ccc(cc1)[*:1] CC1(C)CCN(C1)c1nc(cs1)C[C@H]([NH3+])[*:1]
CC[C@@H](COC)[NH2+]CCN1CCCS1(=O)=O COC[*:1] CC[C@@H]([NH2+]CCN1CCCS1(=O)=O)[*:1]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccncc1)C1CC1 c1cc(ccn1)C[*:1] COc1ccc(cc1S(=O)(=O)N(C1CC1)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccncc1)C1CC1 c1cc(ccn1)[*:1] COc1ccc(cc1S(=O)(=O)N(C[*:1])C1CC1)[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccncc1)C1CC1 O=[N+]([O-])[*:1] COc1ccc(cc1S(=O)(=O)N(Cc1ccncc1)C1CC1)[*:1]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccncc1)C1CC1 C1CC1[*:1] COc1ccc(cc1S(=O)(=O)N(Cc1ccncc1)[*:1])[N+](=O)[O-]
CCC1(CC)[C@@H](NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)[C@@H]1OC Cn1cc(cn1)[*:1] CCC1(CC)[C@@H](NC(=O)N[C@@H]2CCN(C2=O)[*:1])[C@H](C)[C@@H]1OC
CCOc1cc(C(F)(F)F)nc(CN)n1 CCO[*:1] NCc1nc(cc(n1)[*:1])C(F)(F)F
CCOc1cc(C(F)(F)F)nc(CN)n1 FC(F)(F)[*:1] CCOc1cc(nc(CN)n1)[*:1]
O=c1oc2ccc(Cl)cc2cc1-c1nnc(-c2cccc(F)c2)o1 Fc1cccc(c1)[*:1] O=c1oc2ccc(Cl)cc2cc1-c1nnc(o1)[*:1]
CCCc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)Cc1ccc(Cl)cc1Cl)[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2C)cc1C Cc1ccccc1[*:1] Cc1ccc(cc1C)S(=O)(=O)[C@@H](C)C(=O)N[*:1]
COC(CN1C(=O)C(=O)c2cc(C(F)(F)F)ccc21)OC COC(C[*:1])OC O=C1C(=O)N(c2ccc(cc21)C(F)(F)F)[*:1]
COC(CN1C(=O)C(=O)c2cc(C(F)(F)F)ccc21)OC COC(OC)[*:1] O=C1C(=O)N(C[*:1])c2ccc(cc21)C(F)(F)F
COC(CN1C(=O)C(=O)c2cc(C(F)(F)F)ccc21)OC FC(F)(F)[*:1] COC(CN1C(=O)C(=O)c2cc(ccc21)[*:1])OC
Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)[C@@H]3C[C@H]3C)CC1)N2 C[C@@H]1C[C@H]1[*:1] Cc1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)C1CCN(CC1)C(=O)[*:1]
Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)[C@@H]3C[C@H]3C)CC1)N2 FC(F)(F)[*:1] Cc1cc2N[C@@H](C[C@H](n2n1)[*:1])C1CCN(CC1)C(=O)[C@@H]1C[C@H]1C
COC[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)cc2F)CC1 COC[C@H](C)[*:1] Cc1ccc(c(F)c1)S(=O)(=O)N1CCN(CC1)[*:1]
COC[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)cc2F)CC1 COC[*:1] Cc1ccc(c(F)c1)S(=O)(=O)N1CCN(CC1)[C@@H](C)[*:1]
Nc1c(NCc2ccco2)ncnc1NNC(=O)c1ccccn1 c1ccc(nc1)[*:1] Nc1c(ncnc1NNC(=O)[*:1])NCc1ccco1
Nc1c(NCc2ccco2)ncnc1NNC(=O)c1ccccn1 c1coc(c1)CN[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1ccccn1
Nc1c(NCc2ccco2)ncnc1NNC(=O)c1ccccn1 c1coc(c1)C[*:1] Nc1c(ncnc1N[*:1])NNC(=O)c1ccccn1
Nc1c(NCc2ccco2)ncnc1NNC(=O)c1ccccn1 c1coc(c1)[*:1] Nc1c(ncnc1NNC(=O)c1ccccn1)NC[*:1]
CCC(CC)NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCC(CC)NC(=O)[C@@H](C)Oc1ccc(cc1)[*:1]
CCC(CC)NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 CCC(CC)[*:1] C[C@@H](Oc1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4)nc3c1[C@@H]2c1ccccc1 c1ccc(cc1)[*:1] Oc1ccc2c(c1)Oc1ncn3nc(nc3c1[C@@H]2c1ccccc1)[*:1]
Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4)nc3c1[C@@H]2c1ccccc1 c1ccc(cc1)[*:1] Oc1ccc2c(c1)Oc1ncn3nc(nc3c1[C@H]2[*:1])-c1ccccc1
COC[C@@H]1CCCN(C(=O)c2ccc(NCc3ccncc3C)nc2)C1 Cc1cnccc1C[*:1] COC[C@@H]1CCCN(C1)C(=O)c1ccc(nc1)N[*:1]
COC[C@@H]1CCCN(C(=O)c2ccc(NCc3ccncc3C)nc2)C1 Cc1cnccc1[*:1] COC[C@@H]1CCCN(C1)C(=O)c1ccc(nc1)NC[*:1]
COC[C@@H]1CCCN(C(=O)c2ccc(NCc3ccncc3C)nc2)C1 COC[*:1] Cc1cnccc1CNc1ccc(cn1)C(=O)N1CCC[C@H](C1)[*:1]
CC(C)n1cnnc1C[NH2+][C@@H]1C[C@H]2CC[C@]1(C)C2(C)C CC(C)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)[NH2+]Cc1nncn1[*:1]
C[C@H]1CCc2c(C(=O)NCc3ccc([S@](C)=O)cc3)csc2C1 C[S@](=O)[*:1] C[C@H]1CCc2c(csc2C1)C(=O)NCc1ccc(cc1)[*:1]
O=C(NCCN1C(=O)CCC1=O)N[C@H](c1ccc(F)cc1)C1CCCC1 O=C1CCC(=O)N1[*:1] O=C(NCC[*:1])N[C@H](c1ccc(F)cc1)C1CCCC1
O=C(NCCN1C(=O)CCC1=O)N[C@H](c1ccc(F)cc1)C1CCCC1 O=C1CCC(=O)N1C[*:1] O=C(NC[*:1])N[C@H](c1ccc(F)cc1)C1CCCC1
O=C(NCCN1C(=O)CCC1=O)N[C@H](c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] O=C(NCCN1C(=O)CCC1=O)N[C@H](c1ccc(F)cc1)[*:1]
O=C(NCCN1C(=O)CCC1=O)N[C@H](c1ccc(F)cc1)C1CCCC1 Fc1ccc(cc1)[*:1] O=C(NCCN1C(=O)CCC1=O)N[C@H](C1CCCC1)[*:1]
Cn1ncc2c1CCC[C@@H]2[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+]CCS(=O)(=O)NC[*:1]
Cn1ncc2c1CCC[C@@H]2[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 C1CC[C@@H](C[*:1])OC1 Cn1ncc2c1CCC[C@@H]2[NH2+]CCS(=O)(=O)N[*:1]
O=C([O-])[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCOC1 O=C([O-])[*:1] O=C(N[C@@H]1CCOC1)N1CC[NH2+]C[C@H]1[*:1]
O=C([O-])[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C([O-])[C@@H]1C[NH2+]CCN1C(=O)N[*:1]
CO/N=C/c1ccc(C(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)cc1 CON=C[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)c1ccc(cc1)[*:1]
CC(C)(C)C(=O)/C=C1/SCC(=O)N1Cc1cc2c(cc1Br)OCCO2 CC(C)(C)[*:1] O=C1CS/C(=C/C(=O)[*:1])N1Cc1cc2OCCOc2cc1Br
CC(C)(C)C(=O)/C=C1/SCC(=O)N1Cc1cc2c(cc1Br)OCCO2 CC(C)(C)C(=O)[*:1] O=C1CSC(=C[*:1])N1Cc1cc2OCCOc2cc1Br
COc1cccc([C@H](NC(=O)N(C)C[C@@H](C)O)c2ccccc2Cl)c1 C[C@@H](O)[*:1] COc1cccc(c1)[C@H](NC(=O)N(C)C[*:1])c1ccccc1Cl
COc1cccc([C@H](NC(=O)N(C)C[C@@H](C)O)c2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1cccc(c1)[C@H](NC(=O)N(C)C[C@@H](C)O)[*:1]
COc1cccc([C@H](NC(=O)N(C)C[C@@H](C)O)c2ccccc2Cl)c1 C[C@@H](O)C[*:1] COc1cccc(c1)[C@H](NC(=O)N(C)[*:1])c1ccccc1Cl
COc1cccc([C@H](NC(=O)N(C)C[C@@H](C)O)c2ccccc2Cl)c1 COc1cccc(c1)[*:1] C[C@@H](O)CN(C)C(=O)N[C@H](c1ccccc1Cl)[*:1]
O=C(c1c(F)cccc1F)N1CCC(c2nnc3n2CCC3)CC1 C1Cc2nnc(n2C1)[*:1] O=C(c1c(F)cccc1F)N1CCC(CC1)[*:1]
O=C(c1c(F)cccc1F)N1CCC(c2nnc3n2CCC3)CC1 Fc1cccc(F)c1[*:1] O=C(N1CCC(CC1)c1nnc2CCCn21)[*:1]
COC(=O)c1c(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)sc(C)c1C c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)c2oc(=O)c3ccccc3c2[*:1])sc(C)c1C
COC(=O)c1c(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c(c1C)[*:1]
C#CCN1CCN(C(=O)NCCOCCC(C)C)CC1 CC(C)C[*:1] C#CCN1CCN(CC1)C(=O)NCCOC[*:1]
C#CCN1CCN(C(=O)NCCOCCC(C)C)CC1 C#CC[*:1] CC(C)CCOCCNC(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)NCCOCCC(C)C)CC1 CC(C)CCO[*:1] C#CCN1CCN(CC1)C(=O)NCC[*:1]
C#CCN1CCN(C(=O)NCCOCCC(C)C)CC1 CC(C)[*:1] C#CCN1CCN(CC1)C(=O)NCCOCC[*:1]
C#CCN1CCN(C(=O)NCCOCCC(C)C)CC1 CC(C)CC[*:1] C#CCN1CCN(CC1)C(=O)NCCO[*:1]
Cc1n[nH]c(C)c1CCC(=O)N(C)Cc1csc2ccccc12 Cc1n[nH]c(C)c1[*:1] CN(Cc1csc2ccccc12)C(=O)CC[*:1]
O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccsc1 O=C(N[*:1])c1ccsc1 O=C(Nc1cc(ccc1F)[*:1])C1CCCCC1
O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccsc1 C1CCC(CC1)[*:1] O=C(Nc1ccc(F)c(c1)NC(=O)[*:1])c1ccsc1
O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccsc1 c1cc(cs1)[*:1] O=C(Nc1cc(ccc1F)NC(=O)[*:1])C1CCCCC1
O=C(c1ccc(NCc2cccnc2Cl)cc1Cl)N1CCCCC1 Clc1ncccc1[*:1] O=C(c1ccc(cc1Cl)NC[*:1])N1CCCCC1
O=C(c1ccc(NCc2cccnc2Cl)cc1Cl)N1CCCCC1 Clc1ncccc1C[*:1] O=C(c1ccc(cc1Cl)N[*:1])N1CCCCC1
O=C(c1ccc(NCc2cccnc2Cl)cc1Cl)N1CCCCC1 O=C(N1CCCCC1)[*:1] Clc1cc(ccc1[*:1])NCc1cccnc1Cl
CCC(CC)N(C)C(=O)COc1ccc2ccc(=O)oc2c1 CCC(CC)[*:1] CN(C(=O)COc1ccc2ccc(=O)oc2c1)[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc2)C[C@@H](C)O1 O=S(=O)(c1ccccc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)NC(=O)CC[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc2)C[C@@H](C)O1 O=S(=O)(C[*:1])c1ccccc1 C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)NC(=O)CCS(=O)(=O)[*:1]
N#Cc1ccc(N(C(=O)c2cn(-c3ccccc3)nn2)C2CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(c1cn(nn1)-c1ccccc1)N(C1CC1)[*:1]
N#Cc1ccc(N(C(=O)c2cn(-c3ccccc3)nn2)C2CC2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)N(C(=O)c1cn(nn1)[*:1])C1CC1
N#Cc1ccc(N(C(=O)c2cn(-c3ccccc3)nn2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)c1cn(nn1)-c1ccccc1)[*:1]
O=C1COc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2N1 c1coc(c1)C[*:1] O=C1COc2ccc(cc2N1)C(=O)COC(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C1COc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2N1 c1coc(c1)[*:1] O=C1COc2ccc(cc2N1)C(=O)COC(=O)[C@H]1CC(=O)N(C1)C[*:1]
Cc1c(C#N)c(N)c(-[n+]2ccccc2)c(O)c1C#N c1cc[n+](cc1)[*:1] Cc1c(C#N)c(N)c(c(O)c1C#N)[*:1]
Cc1cc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)no1 Cc1cc(no1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(Cl)c(Cl)c1
COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 COc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1F)[*:1]
COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)N(Cc1ccccc1F)S(=O)(=O)[*:1]
COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)N(Cc1ccccc1F)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)N(C[*:1])S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Cn1ncc(NC(=O)c2cccs2)c(N2CCOCC2)c1=O C1CN(CCO1)[*:1] Cn1ncc(NC(=O)c2cccs2)c(c1=O)[*:1]
Cn1ncc(NC(=O)c2cccs2)c(N2CCOCC2)c1=O c1csc(c1)[*:1] Cn1ncc(NC(=O)[*:1])c(c1=O)N1CCOCC1
Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N[C@@H]1CCc2ccccc21 Clc1ccc(nc1)N[*:1] Cc1nc(sc1C(=O)N[C@@H]1CCc2ccccc21)[*:1]
Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N[C@@H]1CCc2ccccc21 Clc1ccc(nc1)[*:1] Cc1nc(N[*:1])sc1C(=O)N[C@@H]1CCc2ccccc21
C[C@@H](NC(=O)NCCC(=O)NC1CC1)C(=O)[O-] C1CC1[*:1] C[C@@H](NC(=O)NCCC(=O)N[*:1])C(=O)[O-]
C[C@@H](NC(=O)NCCC(=O)NC1CC1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NC(=O)NCCC(=O)NC1CC1)[*:1]
O[C@@H](CSc1nccn1-c1ccccc1)C(F)(F)F FC(F)(F)[*:1] O[C@@H](CSc1nccn1-c1ccccc1)[*:1]
O[C@@H](CSc1nccn1-c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] O[C@@H](CSc1nccn1[*:1])C(F)(F)F
O=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc(Cl)cc1 C1CCC(C1)[*:1] O=S(=O)(NCc1cc(-c2ccncc2)n(n1)[*:1])c1ccc(Cl)cc1
O=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc(Cl)cc1 c1cc(ccn1)[*:1] O=S(=O)(NCc1cc(n(n1)C1CCCC1)[*:1])c1ccc(Cl)cc1
O=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(NCc1cc(-c2ccncc2)n(n1)C1CCCC1)[*:1]
Cc1ccnc(N2CCC[C@H](c3noc(C)n3)C2)n1 Cc1nc(no1)[*:1] Cc1ccnc(n1)N1CCC[C@H](C1)[*:1]
C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(C)[C@H](C)[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(C)[C@H](C)NC(=O)C[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)S[*:1]
C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 C=CC[*:1] CC(C)[C@H](C)NC(=O)CSc1nc2sc3C[C@H](C)CCc3c2c(=O)n1[*:1]
C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(C)[C@H](C)NC(=O)[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SC[*:1]
C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(C)[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SCC(=O)N[C@@H](C)[*:1]
CNC(=O)CC[NH+](C)Cc1ccc(OC(F)F)cc1 CNC(=O)[*:1] C[NH+](CC[*:1])Cc1ccc(cc1)OC(F)F
CNC(=O)CC[NH+](C)Cc1ccc(OC(F)F)cc1 CNC(=O)C[*:1] C[NH+](Cc1ccc(cc1)OC(F)F)C[*:1]
CNC(=O)CC[NH+](C)Cc1ccc(OC(F)F)cc1 FC(F)[*:1] CNC(=O)CC[NH+](C)Cc1ccc(cc1)O[*:1]
CNC(=O)CC[NH+](C)Cc1ccc(OC(F)F)cc1 CNC(=O)CC[*:1] C[NH+](Cc1ccc(cc1)OC(F)F)[*:1]
CNC(=O)CC[NH+](C)Cc1ccc(OC(F)F)cc1 FC(F)O[*:1] CNC(=O)CC[NH+](C)Cc1ccc(cc1)[*:1]
CCNc1cc[nH+]c(CN2CCO[C@H]3CCCC[C@@H]32)c1 CCN[*:1] c1cc(cc(CN2CCO[C@H]3CCCC[C@@H]32)[nH+]1)[*:1]
CC(=O)Nc1cn(-c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)cn1 CC(=O)N[*:1] O=C(Nc1ccc2OCOc2c1)c1ccc(cc1)-n1cnc(c1)[*:1]
CC(=O)Nc1cn(-c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)cn1 CC(=O)Nc1cn(cn1)[*:1] O=C(Nc1ccc2OCOc2c1)c1ccc(cc1)[*:1]
CC(=O)Nc1cn(-c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)cn1 c1cc2OCOc2cc1[*:1] CC(=O)Nc1cn(cn1)-c1ccc(cc1)C(=O)N[*:1]
O=C(C[NH+]1CCCC1)NCCn1ncc(-c2ccncc2)c1C1CC1 C1CC1[*:1] O=C(C[NH+]1CCCC1)NCCn1ncc(-c2ccncc2)c1[*:1]
O=C(C[NH+]1CCCC1)NCCn1ncc(-c2ccncc2)c1C1CC1 c1cc(ccn1)[*:1] O=C(C[NH+]1CCCC1)NCCn1ncc(c1C1CC1)[*:1]
CCn1c(SC)nnc1[C@H]1CCCN(Cc2ccccc2)C1 c1ccc(cc1)[*:1] CCn1c(nnc1[C@H]1CCCN(C1)C[*:1])SC
CCn1c(SC)nnc1[C@H]1CCCN(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CCn1c(nnc1[C@H]1CCCN(C1)[*:1])SC
COc1cc(Br)c(O[C@@H](C)C#N)cc1Br C[C@@H](C#N)[*:1] COc1cc(Br)c(cc1Br)O[*:1]
COc1cc(Br)c(O[C@@H](C)C#N)cc1Br C[C@@H](C#N)O[*:1] COc1cc(Br)c(cc1Br)[*:1]
NS(=O)(=O)c1ccc(C/N=C/c2cc(Br)c(O)c(Br)c2)cc1 NS(=O)(=O)[*:1] Oc1c(Br)cc(/C=N/Cc2ccc(cc2)[*:1])cc1Br
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)O[C@@H](C)Cn2cccn2)cc1 c1cnn(c1)C[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)O[C@@H](C)[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)O[C@@H](C)Cn2cccn2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Cn1cccn1)OC(=O)[C@@H]1CCC(=O)N1C[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)O[C@@H](C)Cn2cccn2)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](Cn1cccn1)OC(=O)[C@@H]1CCC(=O)N1[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)O[C@@H](C)Cn2cccn2)cc1 c1cnn(c1)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)O[C@@H](C)C[*:1]
Cc1ccc(C[NH2+]Cc2ccc(C)s2)c(OC[C@@H]2CCOC2)c1 Cc1ccc(C[*:1])s1 Cc1ccc(C[NH2+][*:1])c(c1)OC[C@@H]1CCOC1
Cc1ccc(C[NH2+]Cc2ccc(C)s2)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] Cc1ccc(C[NH2+]Cc2ccc(C)s2)c(c1)OC[*:1]
Cc1ccc(C[NH2+]Cc2ccc(C)s2)c(OC[C@@H]2CCOC2)c1 Cc1ccc(s1)[*:1] Cc1ccc(C[NH2+]C[*:1])c(c1)OC[C@@H]1CCOC1
Cc1ccc(C[NH2+]Cc2ccc(C)s2)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)CO[*:1] Cc1ccc(C[NH2+]Cc2ccc(C)s2)c(c1)[*:1]
Cc1ccc(C[NH2+]Cc2ccc(C)s2)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)C[*:1] Cc1ccc(C[NH2+]Cc2ccc(C)s2)c(c1)O[*:1]
Cc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N1C[C@H](C)O[C@H](C)C1
COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCC2)N(Cc2ccccc2F)C1=O O=C(NC1CCCC1)[*:1] COc1ccc(OC)c2c1cc1C(=O)N(Cc3ccccc3F)[C@](C)(Cn12)[*:1]
COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCC2)N(Cc2ccccc2F)C1=O Fc1ccccc1[*:1] COc1ccc(OC)c2c1cc1C(=O)N(C[*:1])[C@@](C)(Cn12)C(=O)NC1CCCC1
COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCC2)N(Cc2ccccc2F)C1=O C1CCC(C1)[*:1] COc1ccc(OC)c2c1cc1C(=O)N(Cc3ccccc3F)[C@@](C)(Cn12)C(=O)N[*:1]
COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCC2)N(Cc2ccccc2F)C1=O Fc1ccccc1C[*:1] COc1ccc(OC)c2c1cc1C(=O)N([C@@](C)(Cn12)C(=O)NC1CCCC1)[*:1]
COCCNC1(C#N)CN(C(=O)OC(C)(C)C)C1 COC[*:1] CC(C)(C)OC(=O)N1CC(C#N)(C1)NC[*:1]
COCCNC1(C#N)CN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] COCCNC1(C#N)CN(C1)C(=O)O[*:1]
COCCNC1(C#N)CN(C(=O)OC(C)(C)C)C1 COCC[*:1] CC(C)(C)OC(=O)N1CC(C#N)(C1)N[*:1]
COCCNC1(C#N)CN(C(=O)OC(C)(C)C)C1 COCCN[*:1] CC(C)(C)OC(=O)N1CC(C#N)(C1)[*:1]
CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)o1 CNS(=O)(=O)[*:1] CN1CCO[C@H](C[NH2+]Cc2ccc(o2)[*:1])C1
COc1ccc(C[C@@H](/C(N)=N/O)c2nc3ccccc3[nH]2)cc1 N/C(=N\O)[*:1] COc1ccc(cc1)C[C@@H](c1nc2ccccc2[nH]1)[*:1]
Cc1cnc2c(S(=O)(=O)N[C@@H](C)c3ccccc3Cl)cccc2c1 Clc1ccccc1[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N[C@@H](C)[*:1]
CCCCCNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCCCCNC(=O)NC[C@H]1CCO[C@H]1[*:1]
CCCCCNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 CCCCC[*:1] O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N[*:1]
CCCCCNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 CCC[*:1] O=C(NCC[*:1])NC[C@H]1CCO[C@@H]1c1ccccc1
CCCCCNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 CCCC[*:1] O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)NC[*:1]
Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]CCC[NH+]3CCCCCC3)cc12 Fc1ccc(cc1)[*:1] Cc1nn(c2[nH]c(=O)c(cc12)C[NH2+]CCC[NH+]1CCCCCC1)[*:1]
Cc1nc2ccccn2c1C(=O)N(CCc1cccs1)Cc1ccco1 c1coc(c1)C[*:1] Cc1nc2ccccn2c1C(=O)N(CCc1cccs1)[*:1]
Cc1nc2ccccn2c1C(=O)N(CCc1cccs1)Cc1ccco1 c1csc(c1)C[*:1] Cc1nc2ccccn2c1C(=O)N(Cc1ccco1)C[*:1]
Cc1nc2ccccn2c1C(=O)N(CCc1cccs1)Cc1ccco1 c1csc(c1)CC[*:1] Cc1nc2ccccn2c1C(=O)N(Cc1ccco1)[*:1]
Cc1nc2ccccn2c1C(=O)N(CCc1cccs1)Cc1ccco1 c1csc(c1)[*:1] Cc1nc2ccccn2c1C(=O)N(CC[*:1])Cc1ccco1
Cc1nc2ccccn2c1C(=O)N(CCc1cccs1)Cc1ccco1 c1coc(c1)[*:1] Cc1nc2ccccn2c1C(=O)N(CCc1cccs1)C[*:1]
CC(C)COC(=O)N1CCC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 c1cncc(c1)[*:1] CC(C)COC(=O)N1CCC[NH+](CC1)Cc1cn(C)nc1[*:1]
CC(C)COC(=O)N1CCC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 CC(C)C[*:1] Cn1cc(C[NH+]2CCCN(CC2)C(=O)O[*:1])c(n1)-c1cccnc1
CC(C)COC(=O)N1CCC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 CC(C)[*:1] Cn1cc(C[NH+]2CCCN(CC2)C(=O)OC[*:1])c(n1)-c1cccnc1
CC(=O)c1cccc(OCC(=O)Oc2c(Cl)cc(Cl)cc2Cl)c1 CC(=O)[*:1] O=C(COc1cccc(c1)[*:1])Oc1c(Cl)cc(Cl)cc1Cl
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)O[C@@H](C)C(=O)NC3CC3)c12 C[C@@H](C(=O)NC1CC1)[*:1] Cc1nn(C)c2nc(cc(C(=O)O[*:1])c12)-c1cccs1
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)O[C@@H](C)C(=O)NC3CC3)c12 O=C(NC1CC1)[*:1] Cc1nn(C)c2nc(cc(C(=O)O[C@@H](C)[*:1])c12)-c1cccs1
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)O[C@@H](C)C(=O)NC3CC3)c12 c1csc(c1)[*:1] Cc1nn(C)c2nc(cc(C(=O)O[C@@H](C)C(=O)NC3CC3)c12)[*:1]
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)O[C@@H](C)C(=O)NC3CC3)c12 C1CC1[*:1] Cc1nn(C)c2nc(cc(C(=O)O[C@@H](C)C(=O)N[*:1])c12)-c1cccs1
CC[C@H](C)N(C)c1ccc(F)cc1C=O CC[C@H](C)[*:1] CN(c1ccc(F)cc1C=O)[*:1]
Cc1ccc(-n2c(C)nnc2SCc2cc(F)cc3c2OCOC3)cc1 Cc1ccc(cc1)[*:1] Cc1nnc(SCc2cc(F)cc3COCOc32)n1[*:1]
CC1=C(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)C[C@H](C)N1CC(F)(F)F FC(F)(F)C[*:1] CC1=C(C[C@H](C)N1[*:1])C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12
CC1=C(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)C[C@H](C)N1CC(F)(F)F FC(F)(F)[*:1] CC1=C(C[C@H](C)N1C[*:1])C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12
CC1=C(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)C[C@H](C)N1CC(F)(F)F c1ccc2c(c[nH]c2c1)[*:1] CC1=C(C[C@H](C)N1CC(F)(F)F)C(=O)CSc1nnc(o1)[*:1]
COc1ccccc1COc1cccc(NC(=O)[C@H](C)n2cncn2)c1C COc1ccccc1[*:1] Cc1c(cccc1OC[*:1])NC(=O)[C@H](C)n1cncn1
COc1ccccc1COc1cccc(NC(=O)[C@H](C)n2cncn2)c1C c1ncn(n1)[*:1] COc1ccccc1COc1cccc(NC(=O)[C@H](C)[*:1])c1C
COc1ccccc1COc1cccc(NC(=O)[C@H](C)n2cncn2)c1C COc1ccccc1C[*:1] Cc1c(cccc1O[*:1])NC(=O)[C@H](C)n1cncn1
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)[*:1]
CSCCC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 CSC[*:1] O=C(C[*:1])N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1
CSCCC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 CSCC[*:1] O=C1N(CCC[C@@]12CCN(C2)C(=O)[*:1])Cc1ccccc1F
CSCCC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 Fc1ccccc1C[*:1] CSCCC(=O)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
CSCCC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 Fc1ccccc1[*:1] CSCCC(=O)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
CC[C@@H](NC(=O)N(C)CCNS(C)(=O)=O)c1ccncc1 CS(=O)(=O)NCC[*:1] CC[C@@H](NC(=O)N(C)[*:1])c1ccncc1
CC[C@@H](NC(=O)N(C)CCNS(C)(=O)=O)c1ccncc1 CS(=O)(=O)NC[*:1] CC[C@@H](NC(=O)N(C)C[*:1])c1ccncc1
CC[C@@H](NC(=O)N(C)CCNS(C)(=O)=O)c1ccncc1 CS(=O)(=O)N[*:1] CC[C@@H](NC(=O)N(C)CC[*:1])c1ccncc1
CC[C@@H](NC(=O)N(C)CCNS(C)(=O)=O)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N(C)CCNS(C)(=O)=O)[*:1]
CCO[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cccn1 CCO[*:1] O=C(Nc1cc(Cl)ccc1-n1cccn1)[C@@H]1C[C@H]1[*:1]
CCO[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cccn1 c1cnn(c1)[*:1] CCO[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[*:1]
CS[C@@H](CNC(=O)[C@@H](O)c1ccccc1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] CS[C@@H](CNC(=O)[C@@H](O)[*:1])c1cccc(Cl)c1
CS[C@@H](CNC(=O)[C@@H](O)c1ccccc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CS[C@@H](CNC(=O)[C@@H](O)c1ccccc1)[*:1]
COc1cccc(Nc2nc(C)c(C(=O)Nc3ccc(F)cc3)s2)c1 COc1cccc(c1)[*:1] Cc1nc(N[*:1])sc1C(=O)Nc1ccc(F)cc1
COc1cccc(Nc2nc(C)c(C(=O)Nc3ccc(F)cc3)s2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)Nc1nc(C)c(s1)C(=O)N[*:1]
C[NH+](CCCOc1ccc(F)cc1)CC(=O)N1CCNC(=O)C1 Fc1ccc(cc1)[*:1] C[NH+](CCCO[*:1])CC(=O)N1CCNC(=O)C1
C[C@H](Sc1ccccn1)C(=O)N(C)CC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1ccccn1)C(=O)N(C)CC(=O)N[*:1]
C[C@H](Sc1ccccn1)C(=O)N(C)CC(=O)Nc1ccccc1 c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)N(C)CC(=O)Nc1ccccc1
C[C@H](Sc1ccccn1)C(=O)N(C)CC(=O)Nc1ccccc1 c1ccc(nc1)S[*:1] C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1)[*:1]
O=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccncc1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CC(=O)N(C1)C[*:1])c1ccncc1
O=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccncc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CC(=O)N(CC[*:1])C1)c1ccncc1
O=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccncc1 c1cc(ccn1)[*:1] O=C1C[C@@H](CN1CCc1ccccc1)NC(=O)[*:1]
Fc1cc(CN2CCC[C@H](CN3CCOCC3)C2)cc(C(F)(F)F)c1 C1CN(CCO1)[*:1] Fc1cc(cc(c1)C(F)(F)F)CN1CCC[C@@H](C1)C[*:1]
Fc1cc(CN2CCC[C@H](CN3CCOCC3)C2)cc(C(F)(F)F)c1 C1CN(CCO1)C[*:1] Fc1cc(cc(c1)C(F)(F)F)CN1CCC[C@H](C1)[*:1]
Fc1cc(CN2CCC[C@H](CN3CCOCC3)C2)cc(C(F)(F)F)c1 FC(F)(F)[*:1] Fc1cc(cc(c1)[*:1])CN1CCC[C@H](CN2CCOCC2)C1
CC(C)n1c([C@@H]2CCCN(C(=O)CCC3CCCC3)C2)nn(C)c1=O C1CCC(C1)[*:1] CC(C)n1c(nn(C)c1=O)[C@@H]1CCCN(C1)C(=O)CC[*:1]
CC(C)n1c([C@@H]2CCCN(C(=O)CCC3CCCC3)C2)nn(C)c1=O C1CCC(C1)C[*:1] CC(C)n1c(nn(C)c1=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
CC(C)n1c([C@@H]2CCCN(C(=O)CCC3CCCC3)C2)nn(C)c1=O C1CCC(C1)CC[*:1] CC(C)n1c(nn(C)c1=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)n1c([C@@H]2CCCN(C(=O)CCC3CCCC3)C2)nn(C)c1=O CC(C)[*:1] Cn1nc([C@@H]2CCCN(C2)C(=O)CCC2CCCC2)n(c1=O)[*:1]
O=C(NCc1cccc(F)c1)NCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] O=C(NCc1cccc(F)c1)NCc1ccc(o1)[*:1]
O=C(NCc1cccc(F)c1)NCc1ccc(C(=O)[O-])o1 Fc1cccc(c1)[*:1] O=C(NCc1ccc(o1)C(=O)[O-])NC[*:1]
CCC(=O)N1CCC[C@H](C(=O)NCC(=O)OC2CCCCC2)C1 C1CCC(CC1)[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)NCC(=O)O[*:1]
CCCc1ccc(C(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCCc1ccc(cc1)C(=O)/C(C#N)=C/c1cccc(c1)[*:1]
CCCc1ccc(C(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)cc1 CCC[*:1] N#C/C(=C\c1cccc(c1)[N+](=O)[O-])C(=O)c1ccc(cc1)[*:1]
CSc1ccc(NC2=N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCc4ccccc4)[C@H]3S2)cc1 CSc1ccc(cc1)[*:1] O=C(NCc1ccccc1)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(N[*:1])S[C@@H]21
CSc1ccc(NC2=N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCc4ccccc4)[C@H]3S2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)NC1=N[C@H]2[C@@H](O)[C@H](O)C[C@H](C(=O)NC[*:1])[C@H]2S1
CSc1ccc(NC2=N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCc4ccccc4)[C@H]3S2)cc1 c1ccc(cc1)C[*:1] CSc1ccc(cc1)NC1=N[C@H]2[C@@H](O)[C@H](O)C[C@H](C(=O)N[*:1])[C@H]2S1
CSc1ccc(NC2=N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCc4ccccc4)[C@H]3S2)cc1 O=C(NCc1ccccc1)[*:1] CSc1ccc(cc1)NC1=N[C@H]2[C@@H](O)[C@H](O)C[C@H]([C@H]2S1)[*:1]
CC[NH2+][C@@H](C)c1ccccc1N(CC)c1ccccc1 c1ccc(cc1)[*:1] CC[NH2+][C@@H](C)c1ccccc1N(CC)[*:1]
COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3CC[C@H]2C3=C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)N[*:1])[C@H]2C(=O)[O-]
COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3CC[C@H]2C3=C(C)C)cc1 O=C([O-])[*:1] COc1ccc(cc1)NC(=O)[C@@H]1[C@@H]([C@@H]2CC[C@H]1C2=C(C)C)[*:1]
CC(=O)c1ccc(N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 CC(=O)[*:1] C[C@@H]1CCC[C@@H](C1)[NH+]1CCN(CC1)c1ccc(cc1)[*:1]
C[C@@H](Nc1ncc(Br)cn1)c1cccc(NC(=O)c2ccccc2)c1 Brc1cnc(nc1)[*:1] C[C@@H](N[*:1])c1cccc(c1)NC(=O)c1ccccc1
C[C@@H](Nc1ncc(Br)cn1)c1cccc(NC(=O)c2ccccc2)c1 Brc1cnc(nc1)N[*:1] C[C@@H](c1cccc(c1)NC(=O)c1ccccc1)[*:1]
C[C@@H](Nc1ncc(Br)cn1)c1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H](Nc1ncc(Br)cn1)c1cccc(c1)NC(=O)[*:1]
COC(=O)c1cc(NC(=O)c2cn(C)nc2C(C)(C)C)c(F)cc1F CC(C)(C)[*:1] COC(=O)c1cc(NC(=O)c2cn(C)nc2[*:1])c(F)cc1F
COC(=O)c1cc(NC(=O)c2cn(C)nc2C(C)(C)C)c(F)cc1F COC(=O)[*:1] Cn1cc(C(=O)Nc2cc(c(F)cc2F)[*:1])c(n1)C(C)(C)C
CCc1ccsc1CNC(=O)c1cccnc1-n1cccn1 CCc1ccsc1[*:1] O=C(NC[*:1])c1cccnc1-n1cccn1
CCc1ccsc1CNC(=O)c1cccnc1-n1cccn1 c1cnn(c1)[*:1] CCc1ccsc1CNC(=O)c1cccnc1[*:1]
COc1cccc([C@H](O)CSc2ncn(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@H](O)CSc1ncn(n1)[*:1]
CCCN(Cc1cccc(F)c1Cl)S(=O)(=O)N1CCCCC1 CCC[*:1] O=S(=O)(N1CCCCC1)N(Cc1cccc(F)c1Cl)[*:1]
CC(C)(C)[NH2+]C[C@H](C[C@H]1CCCO1)c1cccc(Cl)c1 C1CO[C@H](C1)[*:1] CC(C)(C)[NH2+]C[C@H](C[*:1])c1cccc(Cl)c1
CC(C)(C)[NH2+]C[C@H](C[C@H]1CCCO1)c1cccc(Cl)c1 C1CO[C@H](C1)C[*:1] CC(C)(C)[NH2+]C[C@H](c1cccc(Cl)c1)[*:1]
CC(C)(C)[NH2+]C[C@H](C[C@H]1CCCO1)c1cccc(Cl)c1 CC(C)(C)[*:1] Clc1cccc(c1)[C@H](C[NH2+][*:1])C[C@H]1CCCO1
C[C@@H](CO)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] FC(F)[*:1] C[C@@H](CO)[C@@H](C)Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[*:1]
C[C@@H](CO)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] C[C@@H](CO)[*:1] C[C@@H](Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)C(F)F)[*:1]
C[C@@H](CO)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] O=S(=O)(C(F)F)[*:1] C[C@@H](CO)[C@@H](C)Nc1ccc(cc1[N+](=O)[O-])[*:1]
C[C@@H](CO)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](CO)[C@@H](C)Nc1ccc(cc1[*:1])S(=O)(=O)C(F)F
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1nccs1 c1csc(n1)[*:1] N#C/C(=C\c1c(F)cccc1Cl)C(=O)N[*:1]
O=C(NC[C@@H]1CCOC1)N[C@@H]1CCSc2ccc(Cl)cc21 C1C[C@H](CO1)[*:1] O=C(NC[*:1])N[C@@H]1CCSc2ccc(Cl)cc21
O=C(NC[C@@H]1CCOC1)N[C@@H]1CCSc2ccc(Cl)cc21 C1C[C@H](CO1)C[*:1] O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N[*:1]
Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)NCC(F)(F)F)sc1C FC(F)(F)C[*:1] Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)N[*:1])sc1C
Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)NCC(F)(F)F)sc1C Cc1nc(sc1C)[*:1] C[C@@H](C(=O)NCC(F)(F)F)S(=O)(=O)C[*:1]
Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)NCC(F)(F)F)sc1C FC(F)(F)[*:1] Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)NC[*:1])sc1C
COC(=O)c1ccc(CNC(=O)CNC(=O)c2cccc(Br)c2)cc1 COC(=O)[*:1] O=C(CNC(=O)c1cccc(Br)c1)NCc1ccc(cc1)[*:1]
COC(=O)c1ccc(CNC(=O)CNC(=O)c2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] COC(=O)c1ccc(cc1)CNC(=O)CNC(=O)[*:1]
CCN(CC(C)(C)O)C(=O)NCCCC(=O)[O-] CC(C)(O)C[*:1] CCN(C(=O)NCCCC(=O)[O-])[*:1]
CCN(CC(C)(C)O)C(=O)NCCCC(=O)[O-] O=C([O-])CC[*:1] CCN(CC(C)(C)O)C(=O)NC[*:1]
CCN(CC(C)(C)O)C(=O)NCCCC(=O)[O-] O=C([O-])[*:1] CCN(CC(C)(C)O)C(=O)NCCC[*:1]
CCN(CC(C)(C)O)C(=O)NCCCC(=O)[O-] O=C([O-])C[*:1] CCN(CC(C)(C)O)C(=O)NCC[*:1]
CCN(CC(C)(C)O)C(=O)NCCCC(=O)[O-] CC(C)(O)[*:1] CCN(C[*:1])C(=O)NCCCC(=O)[O-]
CCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 Cc1ccc(cc1)[*:1] CCSc1nc2NC3CC(C)(C)CC(=O)C=3[C@H](n2n1)[*:1]
CCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 CCS[*:1] Cc1ccc(cc1)[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nc(nn21)[*:1]
C[C@H](CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] C[C@H](CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)[*:1]
C[C@H](CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)C[*:1]
Cc1cc(SCC(=O)Nc2cccc(Cl)c2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 O=C(Nc1cccc(Cl)c1)[*:1] Cc1cc(nc2ccc(cc12)S(=O)(=O)N1CCOCC1)SC[*:1]
Cc1cc(SCC(=O)Nc2cccc(Cl)c2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 O=S(=O)(N1CCOCC1)[*:1] Cc1cc(nc2ccc(cc12)[*:1])SCC(=O)Nc1cccc(Cl)c1
Cc1cc(SCC(=O)Nc2cccc(Cl)c2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 Clc1cccc(c1)[*:1] Cc1cc(nc2ccc(cc12)S(=O)(=O)N1CCOCC1)SCC(=O)N[*:1]
Cc1noc([C@@H]2CCCN(C(=O)NCCc3cnn(-c4ccccc4)c3)C2)n1 Cc1noc(n1)[*:1] O=C(NCCc1cnn(c1)-c1ccccc1)N1CCC[C@H](C1)[*:1]
Cc1noc([C@@H]2CCCN(C(=O)NCCc3cnn(-c4ccccc4)c3)C2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C(=O)NCCc1cnn(c1)[*:1]
CC[C@H](C#N)OC(=O)CCNC(=O)C1CCCCC1 C1CCC(CC1)[*:1] CC[C@H](C#N)OC(=O)CCNC(=O)[*:1]
Cc1c(F)cccc1NC(=O)CCc1nc(C(C)C)no1 CC(C)[*:1] Cc1c(F)cccc1NC(=O)CCc1nc(no1)[*:1]
CCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)nnn1-c1ccc(OC(F)F)cc1 FC(F)[*:1] CCc1c(nnn1-c1ccc(cc1)O[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
CCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)nnn1-c1ccc(OC(F)F)cc1 FC(F)O[*:1] CCc1c(nnn1-c1ccc(cc1)[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
CCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)nnn1-c1ccc(OC(F)F)cc1 FC(F)(F)[*:1] CCc1c(nnn1-c1ccc(cc1)OC(F)F)C(=O)Nc1ccc(cc1)[*:1]
CCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)nnn1-c1ccc(OC(F)F)cc1 FC(F)Oc1ccc(cc1)[*:1] CCc1c(nnn1[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
CCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)nnn1-c1ccc(OC(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] CCc1c(nnn1-c1ccc(cc1)OC(F)F)C(=O)N[*:1]
Cc1cscc1CN[C@@H](C)C#N C[C@@H](C#N)[*:1] Cc1cscc1CN[*:1]
COC(=O)c1ccc(CNc2cccc(C[NH+](C)C)c2)o1 COC(=O)[*:1] C[NH+](C)Cc1cccc(c1)NCc1ccc(o1)[*:1]
CCOc1cccc(CNC(=O)[C@H]2CCO[C@H]2C)c1OC(F)F FC(F)O[*:1] CCOc1cccc(CNC(=O)[C@H]2CCO[C@H]2C)c1[*:1]
CCOc1cccc(CNC(=O)[C@H]2CCO[C@H]2C)c1OC(F)F FC(F)[*:1] CCOc1cccc(CNC(=O)[C@H]2CCO[C@H]2C)c1O[*:1]
CCOc1cccc(CNC(=O)[C@H]2CCO[C@H]2C)c1OC(F)F CCO[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(c1OC(F)F)[*:1]
CC(C)c1ccc(CSc2nnc(Cn3cncn3)o2)cc1 CC(C)[*:1] c1ncn(Cc2nnc(o2)SCc2ccc(cc2)[*:1])n1
CC(C)c1ccc(CSc2nnc(Cn3cncn3)o2)cc1 c1ncn(n1)[*:1] CC(C)c1ccc(cc1)CSc1nnc(C[*:1])o1
CC(C)c1ccc(CSc2nnc(Cn3cncn3)o2)cc1 c1ncn(C[*:1])n1 CC(C)c1ccc(cc1)CSc1nnc(o1)[*:1]
COc1ccc(Cl)cc1NC(=O)Cn1cccn1 c1cnn(c1)C[*:1] COc1ccc(Cl)cc1NC(=O)[*:1]
COc1ccc(Cl)cc1NC(=O)Cn1cccn1 c1cnn(c1)[*:1] COc1ccc(Cl)cc1NC(=O)C[*:1]
CCc1ccc(NC(=O)[C@H](C)[S@@](=O)Cc2nc(C)c(C)s2)cc1 Cc1nc(sc1C)[*:1] CCc1ccc(cc1)NC(=O)[C@H](C)[S@@](=O)C[*:1]
NC(=O)[C@H]1CCCN(C(=O)CNc2ccccc2C#Cc2ccccc2)C1 NC(=O)[*:1] O=C(CNc1ccccc1C#Cc1ccccc1)N1CCC[C@@H](C1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)CNc2ccccc2C#Cc2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)CNc1ccccc1C#C[*:1]
NC(=O)[C@H]1CCCN(C(=O)CNc2ccccc2C#Cc2ccccc2)C1 C(#C[*:1])c1ccccc1 NC(=O)[C@H]1CCCN(C1)C(=O)CNc1ccccc1[*:1]
CC(C)Oc1ccc(NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 CC(C)O[*:1] O=C(NCC1(CCOCC1)c1ccc(F)cc1)Nc1ccc(cc1)[*:1]
CC(C)Oc1ccc(NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 Fc1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)NC(=O)NCC1(CCOCC1)[*:1]
CC(C)Oc1ccc(NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 CC(C)[*:1] O=C(NCC1(CCOCC1)c1ccc(F)cc1)Nc1ccc(cc1)O[*:1]
O=C(Nc1ccncc1)C1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(Nc1ccncc1)C1(CCC1)[*:1]
O=C(Nc1ccncc1)C1(c2ccccc2)CCC1 c1cc(ccn1)[*:1] O=C(N[*:1])C1(CCC1)c1ccccc1
Cc1sc2ncnc(N[C@@H](C)C(=O)NCc3ccccc3)c2c1C c1ccc(cc1)C[*:1] Cc1sc2ncnc(N[C@@H](C)C(=O)N[*:1])c2c1C
Cc1sc2ncnc(N[C@@H](C)C(=O)NCc3ccccc3)c2c1C c1ccc(cc1)[*:1] Cc1sc2ncnc(N[C@@H](C)C(=O)NC[*:1])c2c1C
CC[C@H](C)C(=O)NC1(c2ccc(F)cc2F)CCOCC1 CC[C@H](C)[*:1] O=C(NC1(CCOCC1)c1ccc(F)cc1F)[*:1]
CC[C@H](C)C(=O)NC1(c2ccc(F)cc2F)CCOCC1 CC[C@H](C)C(=O)N[*:1] Fc1ccc(c(F)c1)C1(CCOCC1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 C[C@@H]1OCC[C@H]1[*:1] O=C(N[C@@H]1CCN(C1)c1cccc[nH+]1)[*:1]
CCOC(=O)c1nc([C@H]([NH3+])c2ccc(F)c(Br)c2)no1 CCOC(=O)[*:1] [NH3+][C@H](c1ccc(F)c(Br)c1)c1noc(n1)[*:1]
N#Cc1ccc(N(C(=O)c2cc3ccccc3c(Cl)n2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)c1cc2ccccc2c(Cl)n1)[*:1]
N#Cc1ccc(N(C(=O)c2cc3ccccc3c(Cl)n2)C2CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(c1cc2ccccc2c(Cl)n1)N(C1CC1)[*:1]
Cc1ncsc1COC(=O)c1cccc(-n2nc([O-])ccc2=O)c1 O=c1ccc([O-])nn1[*:1] Cc1ncsc1COC(=O)c1cccc(c1)[*:1]
Cc1ncsc1COC(=O)c1cccc(-n2nc([O-])ccc2=O)c1 Cc1ncsc1[*:1] O=C(OC[*:1])c1cccc(c1)-n1nc([O-])ccc1=O
Cc1ncsc1COC(=O)c1cccc(-n2nc([O-])ccc2=O)c1 Cc1ncsc1C[*:1] O=C(O[*:1])c1cccc(c1)-n1nc([O-])ccc1=O
CCC(C)(C)OC[C@H](CS)C(C)(C)C CC(C)(C)[*:1] CCC(C)(C)OC[C@H](CS)[*:1]
COc1cc(C(=O)NC[C@@H]2Cc3cc(C(C)(C)C)ccc3O2)cc(OC)c1OC CC(C)(C)[*:1] COc1cc(cc(OC)c1OC)C(=O)NC[C@@H]1Cc2cc(ccc2O1)[*:1]
O=C(CCc1cccc(F)c1F)NC[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCc1cccc(F)c1F)NC[C@@H](O)[*:1]
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)[nH]n2)c1 c1cc(ccn1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)[N-]c1cc([nH]n1)[*:1]
CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCCC2=CCCCC2)cn1 CN(C)C(=O)C[*:1] O=C(NCCC1=CCCCC1)C(=O)Nc1cnn(c1)[*:1]
CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCCC2=CCCCC2)cn1 CN(C)C(=O)[*:1] O=C(NCCC1=CCCCC1)C(=O)Nc1cnn(c1)C[*:1]
O=c1cc(N2CCC3(CC2)OCCO3)[nH]c(=O)n1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=c1cc([nH]c(=O)n1[*:1])N1CCC2(CC1)OCCO2
O=C(Nc1nc2ccccc2s1)c1ccc(N2CCNC2=O)cc1 O=C1NCCN1[*:1] O=C(Nc1nc2ccccc2s1)c1ccc(cc1)[*:1]
CC(=O)[C@@H](C)S[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 CC(=O)[*:1] C[C@H](S[C@H](C)[*:1])C(=O)N1CCN(CC1)c1ncccn1
CC(=O)[C@@H](C)S[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 CC(=O)[C@@H](C)[*:1] C[C@H](S[*:1])C(=O)N1CCN(CC1)c1ncccn1
CC(=O)[C@@H](C)S[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CC(=O)[C@@H](C)S[C@@H](C)C(=O)N1CCN(CC1)[*:1]
CC(C)[C@@H](C)S(=O)(=O)Cc1csc(-c2ccccc2F)n1 Fc1ccccc1[*:1] CC(C)[C@@H](C)S(=O)(=O)Cc1csc(n1)[*:1]
CC(C)[C@@H](C)S(=O)(=O)Cc1csc(-c2ccccc2F)n1 CC(C)[*:1] C[C@@H](S(=O)(=O)Cc1csc(n1)-c1ccccc1F)[*:1]
O=C1C(/C=N/C2CCCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 C(=NC1CCCCC1)[*:1] O=C1C(C(=O)N(C(=O)N1C1CCCCC1)C1CCCCC1)[*:1]
O=C1C(/C=N/C2CCCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 C1CCC(CC1)[*:1] O=C1C(/C=N/C2CCCCC2)C(=O)N(C(=O)N1C1CCCCC1)[*:1]
O=C1C(/C=N/C2CCCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 C1CCC(CC1)[*:1] O=C1C(C=N[*:1])C(=O)N(C(=O)N1C1CCCCC1)C1CCCCC1
O=C([O-])[C@@H](F)Oc1ccc(F)c(Cl)c1 O=C([O-])[*:1] Fc1ccc(cc1Cl)O[C@H](F)[*:1]
C[C@H]1CN(S(=O)(=O)CCNC(=O)C#Cc2ccccc2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)CCNC(=O)C#C[*:1]
C[C@H]1CN(S(=O)(=O)CCNC(=O)C#Cc2ccccc2)C[C@H](C)O1 C(#C[*:1])c1ccccc1 C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)CCNC(=O)[*:1]
CSCCc1ccc(NC(=O)C(=O)N2CC[C@H]([N+]3=CCCC3)C2)cc1 CSC[*:1] O=C(Nc1ccc(cc1)C[*:1])C(=O)N1CC[C@@H](C1)[N+]1=CCCC1
CSCCc1ccc(NC(=O)C(=O)N2CC[C@H]([N+]3=CCCC3)C2)cc1 CSCC[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CC[C@@H](C1)[N+]1=CCCC1
COc1ncc(C)cc1NCc1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] COc1ncc(C)cc1NCc1ccn(n1)[*:1]
CC(C)c1nc(CN2CCc3c(cccc3N3CCOC3=O)C2)no1 CC(C)c1nc(no1)[*:1] O=C1OCCN1c1cccc2CN(CCc21)C[*:1]
CC(C)c1nc(CN2CCc3c(cccc3N3CCOC3=O)C2)no1 O=C1OCCN1[*:1] CC(C)c1nc(CN2CCc3c(cccc3[*:1])C2)no1
CC(C)c1nc(CN2CCc3c(cccc3N3CCOC3=O)C2)no1 CC(C)[*:1] O=C1OCCN1c1cccc2CN(CCc21)Cc1noc(n1)[*:1]
Cc1cc(C)cc(OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)CN1CCOCC1
Cc1cc(C)cc(OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 C1CN(CCO1)C[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C)cc(OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 C1CN(CCO1)[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1ccc(cc1)C[*:1]
Cc1ccc(C)n1-c1c(C(=O)NCCC[NH+](C)C2CCCCC2)sc2ncccc12 Cc1ccc(C)n1[*:1] C[NH+](CCCNC(=O)c1sc2ncccc2c1[*:1])C1CCCCC1
Cc1ccc(C)n1-c1c(C(=O)NCCC[NH+](C)C2CCCCC2)sc2ncccc12 C1CCC(CC1)[*:1] Cc1ccc(C)n1-c1c(sc2ncccc12)C(=O)NCCC[NH+](C)[*:1]
C[C@H](CNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1)Oc1ccccc1 C[S@@](=O)[*:1] C[C@H](CNC(=O)C(=O)Nc1cccc(c1)[*:1])Oc1ccccc1
C[C@H](CNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)C(=O)Nc1cccc(c1)[S@@](C)=O)O[*:1]
C[C@H](CNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNC(=O)C(=O)Nc1cccc(c1)[S@@](C)=O)[*:1]
O=S(=O)(c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=S(=O)(c1ccccc1)N1CC[NH+](CC1)CC[*:1]
O=S(=O)(c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)N1CC[NH+](CCO[*:1])CC1
O=S(=O)(c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(N1CC[NH+](CCOc2ccccc2)CC1)[*:1]
O=S(=O)(c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=S(=O)(c1ccccc1)N1CC[NH+](CC1)C[*:1]
CCOc1ccc(C[C@@H]2S/C(=N\N=C\c3ccccc3)NC2=O)cc1 CCO[*:1] O=C1N/C(=N/N=C/c2ccccc2)S[C@H]1Cc1ccc(cc1)[*:1]
CCOc1ccc(C[C@@H]2S/C(=N\N=C\c3ccccc3)NC2=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C[C@@H]1S/C(=N\N=C[*:1])NC1=O
CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(O)c(OC)c1 CCOC(=O)[*:1] COc1cc(ccc1O)[C@@H]1NC(=O)N(C)C(C)=C1[*:1]
O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1 c1ccc(cc1)[*:1] O=C([O-])COc1cc(nc(n1)NCc1ccc(Cl)cc1)[*:1]
O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1 O=C([O-])[*:1] Clc1ccc(cc1)CNc1nc(cc(n1)-c1ccccc1)OC[*:1]
O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] O=C([O-])COc1cc(nc(n1)NC[*:1])-c1ccccc1
O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1 Clc1ccc(cc1)C[*:1] O=C([O-])COc1cc(nc(n1)N[*:1])-c1ccccc1
O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1 O=C([O-])C[*:1] Clc1ccc(cc1)CNc1nc(cc(n1)-c1ccccc1)O[*:1]
O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)n1 O=C([O-])CO[*:1] Clc1ccc(cc1)CNc1nc(cc(n1)[*:1])-c1ccccc1
c1cnc(N2CCN(Cc3nnnn3C3CC3)CC2)nc1 c1cnc(nc1)[*:1] C1CC1n1nnnc1CN1CCN(CC1)[*:1]
c1cnc(N2CCN(Cc3nnnn3C3CC3)CC2)nc1 C1CC1[*:1] c1cnc(nc1)N1CCN(CC1)Cc1nnnn1[*:1]
CCOc1cc(Br)c2c(c1)[C@@H]([NH2+]C)CCC2 CCO[*:1] C[NH2+][C@H]1CCCc2c(Br)cc(cc21)[*:1]
COc1ccc(OC)c([C@@H](C)NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H](C)NC(=O)c1nn(c2CCCc12)[*:1]
COc1ccc(OC)c([C@@H](C)NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 COc1ccc(OC)c(c1)[*:1] C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c2CCCc12)[*:1]
COc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 COc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1nc(cs1)-c1cc(Cl)ccc1Cl
COc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 Clc1ccc(Cl)c(c1)[*:1] COc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1nc(cs1)[*:1]
COc1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1O O=[N+]([O-])[*:1] COc1ccc(cc1O)CNC(=O)Nc1c(C)ccc(c1C)[*:1]
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C(=O)NC)cc1Cl CNC(=O)[*:1] CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(cc1Cl)[*:1]
COCCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c(F)c2)cn1 COCC[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)C(=O)Nc1cnn(c1)[*:1]
COCCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c(F)c2)cn1 COC[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)C(=O)Nc1cnn(c1)C[*:1]
COCCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c(F)c2)cn1 Cc1ccc(cc1F)[*:1] COCCn1cc(cn1)NC(=O)C(=O)N[C@@H](C)[*:1]
CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccco4)c3)c2)n1 c1coc(c1)C[*:1] CCCc1noc(n1)-c1ccnc(c1)-n1cnc(c1)C(=O)N[*:1]
CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccco4)c3)c2)n1 O=C(NCc1ccco1)[*:1] CCCc1noc(n1)-c1ccnc(c1)-n1cnc(c1)[*:1]
CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccco4)c3)c2)n1 CCC[*:1] O=C(NCc1ccco1)c1cn(cn1)-c1cc(ccn1)-c1nc(no1)[*:1]
CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccco4)c3)c2)n1 c1coc(c1)[*:1] CCCc1noc(n1)-c1ccnc(c1)-n1cnc(c1)C(=O)NC[*:1]
CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccco4)c3)c2)n1 CCCc1noc(n1)[*:1] O=C(NCc1ccco1)c1cn(cn1)-c1cc(ccn1)[*:1]
CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1
CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](CC)CC2)cc1Cl CCO[*:1] CC[NH+]1CCN(CC1)C(=O)CN(C)S(=O)(=O)c1ccc(c(Cl)c1)[*:1]
CC(=O)c1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])NC1(Oc2ccccc2O1)C(F)(F)F
CC(=O)c1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1 FC(F)(F)[*:1] CC(=O)c1ccc(cc1)NC(=O)NC1(Oc2ccccc2O1)[*:1]
Cc1ccc(/N=C(\N)NC2=N[C@H](CC(=O)Nc3cc(C)ccc3C)C([O-])=N2)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)/N=C(\N)NC1=N[C@H](CC(=O)N[*:1])C([O-])=N1
Cc1ccc(/N=C(\N)NC2=N[C@H](CC(=O)Nc3cc(C)ccc3C)C([O-])=N2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)C[C@H]1N=C(N=C1[O-])NC(N)=N[*:1]
O=C(NCc1ccccc1)c1ccc(CNC(=O)c2ccc(N3CCCOC3=O)cc2)cc1 c1ccc(cc1)C[*:1] O=C(NCc1ccc(cc1)C(=O)N[*:1])c1ccc(cc1)N1CCCOC1=O
O=C(NCc1ccccc1)c1ccc(CNC(=O)c2ccc(N3CCCOC3=O)cc2)cc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)C(=O)NC[*:1])c1ccc(cc1)N1CCCOC1=O
O=C(NCc1ccccc1)c1ccc(CNC(=O)c2ccc(N3CCCOC3=O)cc2)cc1 O=C1OCCCN1[*:1] O=C(NCc1ccccc1)c1ccc(cc1)CNC(=O)c1ccc(cc1)[*:1]
O=C(NCc1ccccc1)c1ccc(CNC(=O)c2ccc(N3CCCOC3=O)cc2)cc1 O=C(NCc1ccccc1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(cc1)N1CCCOC1=O
CCCOc1ccccc1/C=C/C(=O)Nc1nnc(C2CC2)s1 CCCO[*:1] O=C(/C=C/c1ccccc1[*:1])Nc1nnc(s1)C1CC1
CCCOc1ccccc1/C=C/C(=O)Nc1nnc(C2CC2)s1 C1CC1[*:1] CCCOc1ccccc1/C=C/C(=O)Nc1nnc(s1)[*:1]
CCCOc1ccccc1/C=C/C(=O)Nc1nnc(C2CC2)s1 CCC[*:1] O=C(/C=C/c1ccccc1O[*:1])Nc1nnc(s1)C1CC1
CC(C)[C@@H]1CSC[C@@H](C(=O)[O-])[NH2+]1 CC(C)[*:1] O=C([O-])[C@@H]1CSC[C@H]([NH2+]1)[*:1]
CC(C)[C@@H]1CSC[C@@H](C(=O)[O-])[NH2+]1 O=C([O-])[*:1] CC(C)[C@@H]1CSC[C@@H]([NH2+]1)[*:1]
NC(=O)C[NH+]1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 NC(=O)[*:1] O=C(Nc1ccc(Cl)cc1)N1CCC[NH+](CC1)C[*:1]
NC(=O)C[NH+]1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 NC(=O)C[*:1] O=C(Nc1ccc(Cl)cc1)N1CCC[NH+](CC1)[*:1]
NC(=O)C[NH+]1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] NC(=O)C[NH+]1CCCN(CC1)C(=O)N[*:1]
OCCCC[C@@H]1Nc2ccc(F)cc2[C@H]2OCCC[C@@H]12 OCCC[*:1] Fc1ccc2N[C@@H](C[*:1])[C@@H]3CCCO[C@@H]3c2c1
OCCCC[C@@H]1Nc2ccc(F)cc2[C@H]2OCCC[C@@H]12 OCC[*:1] Fc1ccc2N[C@@H](CC[*:1])[C@@H]3CCCO[C@@H]3c2c1
OCCCC[C@@H]1Nc2ccc(F)cc2[C@H]2OCCC[C@@H]12 OCCCC[*:1] Fc1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)[*:1]
COCc1nc([C@H](C)OC)[nH]c(=O)c1I COC[*:1] CO[C@@H](C)c1nc(c(I)c(=O)[nH]1)[*:1]
COCc1nc([C@H](C)OC)[nH]c(=O)c1I CO[C@@H](C)[*:1] COCc1nc([nH]c(=O)c1I)[*:1]
CC(C)CC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CC(C)C[*:1] Cn1c(nc2cc(ccc21)NC(=O)[*:1])C1CC1
CC(C)CC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] CC(C)CC(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
CC(C)CC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CC(C)[*:1] Cn1c(nc2cc(ccc21)NC(=O)C[*:1])C1CC1
NC(=O)CNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] NC(=O)CNC(=O)[C@H]1C[C@H]1c1ccc(cc1)[*:1]
NC(=O)CNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 NC(=O)[*:1] O=C(NC[*:1])[C@H]1C[C@H]1c1ccc(cc1)C(F)(F)F
NC(=O)CNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 NC(=O)C[*:1] O=C(N[*:1])[C@H]1C[C@H]1c1ccc(cc1)C(F)(F)F
Cc1ccc(-n2c(N3CCOCC3)nc3cc(C(=O)NCc4cccs4)ccc3c2=O)cc1C c1csc(c1)C[*:1] Cc1ccc(cc1C)-n1c(nc2cc(ccc2c1=O)C(=O)N[*:1])N1CCOCC1
Cc1ccc(-n2c(N3CCOCC3)nc3cc(C(=O)NCc4cccs4)ccc3c2=O)cc1C O=C(NCc1cccs1)[*:1] Cc1ccc(cc1C)-n1c(nc2cc(ccc2c1=O)[*:1])N1CCOCC1
Cc1ccc(-n2c(N3CCOCC3)nc3cc(C(=O)NCc4cccs4)ccc3c2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NCc1cccs1)c1ccc2c(=O)n(c(nc2c1)N1CCOCC1)[*:1]
Cc1ccc(-n2c(N3CCOCC3)nc3cc(C(=O)NCc4cccs4)ccc3c2=O)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)-n1c(nc2cc(ccc2c1=O)C(=O)NC[*:1])N1CCOCC1
Cc1ccc(-n2c(N3CCOCC3)nc3cc(C(=O)NCc4cccs4)ccc3c2=O)cc1C C1CN(CCO1)[*:1] Cc1ccc(cc1C)-n1c(nc2cc(ccc2c1=O)C(=O)NCc1cccs1)[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)C[C@@H](C)O1 Fc1ccc(cc1)CC[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)C[C@@H](C)O1 Fc1ccc(cc1)C[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)C[C@@H](C)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)NCC[*:1]
O=C([O-])[C@@H]1CC2(CCN(C(=O)CCCn3cc[nH+]c3)CC2)C[NH2+]1 O=C([O-])[*:1] O=C(CCCn1cc[nH+]c1)N1CCC2(CC1)C[NH2+][C@@H](C2)[*:1]
O=C([O-])[C@@H]1CC2(CCN(C(=O)CCCn3cc[nH+]c3)CC2)C[NH2+]1 c1cn(c[nH+]1)CC[*:1] O=C([O-])[C@@H]1CC2(CCN(CC2)C(=O)C[*:1])C[NH2+]1
C[C@H](CNC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccsc1 FC(F)(F)[*:1] C[C@H](CNC(=O)N(C)Cc1ccc(cc1)[*:1])c1ccsc1
C[C@H](CNC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)N(C)Cc1ccc(cc1)C(F)(F)F)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])[C@H]1CCCCN1C(=O)c1ccccc1
Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)[*:1])c(C)c1
Cc1ccc(C)c(NC(=O)NC[C@@]2(O)CCCc3ccccc32)c1 Cc1ccc(C)c(c1)[*:1] O=C(NC[C@@]1(O)CCCc2ccccc21)N[*:1]
O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] O=C(NCC[C@@H]1CCC[NH2+]C1)N[*:1]
C[C@H](NC(=O)c1cccnc1)c1nc2ccccc2n1[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H](NC(=O)c1cccnc1)c1nc2ccccc2n1[*:1]
C[C@H](NC(=O)c1cccnc1)c1nc2ccccc2n1[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccnc1)c1nc2ccccc2n1[C@H](C)[*:1]
C[C@H](NC(=O)c1cccnc1)c1nc2ccccc2n1[C@H](C)c1ccccc1 c1cncc(c1)[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2n1[C@H](C)c1ccccc1
C[C@H](NC(=O)c1cccnc1)c1nc2ccccc2n1[C@H](C)c1ccccc1 O=C(N[*:1])c1cccnc1 C[C@H](c1nc2ccccc2n1[C@H](C)c1ccccc1)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)c3ccc(F)nc3)ccc21 Fc1ccc(cn1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)c3ccc(F)nc3)ccc21 CCC[*:1] O=C(Nc1ccc2c(c1)CCC(=O)N2[*:1])c1ccc(F)nc1
Cc1csc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1 c1coc(c1)C[*:1] Cc1csc(CNC(=O)[C@@H]2CC(=O)N(C2)[*:1])n1
Cc1csc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1 c1coc(c1)[*:1] Cc1csc(CNC(=O)[C@@H]2CC(=O)N(C2)C[*:1])n1
Cc1csc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1 Cc1csc(C[*:1])n1 O=C(N[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
Cc1csc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1 Cc1csc(n1)[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
O=C(NCC1CC1)N[C@H]1CCO[C@]2(CCSC2)C1 C1CC1[*:1] O=C(NC[*:1])N[C@H]1CCO[C@]2(CCSC2)C1
O=C(NCC1CC1)N[C@H]1CCO[C@]2(CCSC2)C1 C1CC1C[*:1] O=C(N[C@H]1CCO[C@]2(CCSC2)C1)N[*:1]
Cc1c(CNc2ccc(CC#N)cc2)cnn1C N#CC[*:1] Cc1c(cnn1C)CNc1ccc(cc1)[*:1]
O=C(NCc1cccnc1Oc1cccc(F)c1)c1cnn(-c2ccccc2)n1 Fc1cccc(c1)O[*:1] O=C(NCc1cccnc1[*:1])c1cnn(n1)-c1ccccc1
O=C(NCc1cccnc1Oc1cccc(F)c1)c1cnn(-c2ccccc2)n1 Fc1cccc(c1)[*:1] O=C(NCc1cccnc1O[*:1])c1cnn(n1)-c1ccccc1
O=C(NCc1cccnc1Oc1cccc(F)c1)c1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCc1cccnc1Oc1cccc(F)c1)c1cnn(n1)[*:1]
C[S@@](=O)CCNC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCOCC1 Fc1ccc(cc1)[*:1] C[S@@](=O)CCNC(=O)C1(CCOCC1)Cc1cc(no1)[*:1]
O=C(Nc1nncs1)C1CCN(C(=O)NC2CCCCCCC2)CC1 c1nnc(s1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)NC1CCCCCCC1
O=C(Nc1nncs1)C1CCN(C(=O)NC2CCCCCCC2)CC1 O=C(Nc1nncs1)[*:1] O=C(NC1CCCCCCC1)N1CCC(CC1)[*:1]
O=C(Nc1nncs1)C1CCN(C(=O)NC2CCCCCCC2)CC1 C1CCCC(CCC1)[*:1] O=C(Nc1nncs1)C1CCN(CC1)C(=O)N[*:1]
Cc1ccccc1CSc1cccc(C(=O)[O-])n1 O=C([O-])[*:1] Cc1ccccc1CSc1cccc(n1)[*:1]
N#Cc1cncc(C(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1cncc(c1)[*:1]
Cc1noc(C)c1CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 Cc1noc(C)c1C[*:1] O=C(Nc1ccc(cc1)NS(=O)(=O)c1ccc2OCCCOc2c1)[*:1]
Cc1noc(C)c1CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 Cc1noc(C)c1[*:1] O=C(C[*:1])Nc1ccc(cc1)NS(=O)(=O)c1ccc2OCCCOc2c1
O=C1C[C@]2(CCN(C(=O)CCn3cc(Cl)cn3)C2)C(=O)N1 Clc1cnn(c1)[*:1] O=C1C[C@]2(CCN(C2)C(=O)CC[*:1])C(=O)N1
O=C1C[C@]2(CCN(C(=O)CCn3cc(Cl)cn3)C2)C(=O)N1 Clc1cnn(c1)C[*:1] O=C1C[C@]2(CCN(C2)C(=O)C[*:1])C(=O)N1
Clc1ccc2nnn(OC/C=C/c3ccccc3)c2c1 c1ccc(cc1)[*:1] Clc1ccc2nnn(OCC=C[*:1])c2c1
CC(C)n1cc(C(=O)c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C#N)c1=O O=C(Nc1ccc(Cl)c(Cl)c1)[*:1] CC(C)n1cc(cc(C#N)c1=O)C(=O)c1ccccc1OC[*:1]
CC(C)n1cc(C(=O)c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C#N)c1=O Clc1ccc(cc1Cl)[*:1] CC(C)n1cc(cc(C#N)c1=O)C(=O)c1ccccc1OCC(=O)N[*:1]
CC(C)n1cc(C(=O)c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C#N)c1=O CC(C)[*:1] N#Cc1cc(cn(c1=O)[*:1])C(=O)c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(OCC(F)F)n1 FC(F)[*:1] C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(n1)OC[*:1]
C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(n1)[*:1]
C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(n1)O[*:1]
CCc1nn(C)cc1CNC(=O)c1ccc(F)c(CSC)c1 CSC[*:1] CCc1nn(C)cc1CNC(=O)c1ccc(F)c(c1)[*:1]
Cc1cc([C@H]([NH3+])C(=O)[O-])ccc1F O=C([O-])[*:1] Cc1cc(ccc1F)[C@H]([NH3+])[*:1]
Cc1ccccc1CCC(=O)N1CCC(Cn2cc([C@H](C)O)nn2)CC1 Cc1ccccc1[*:1] C[C@H](O)c1cn(CC2CCN(CC2)C(=O)CC[*:1])nn1
Cc1ccccc1CCC(=O)N1CCC(Cn2cc([C@H](C)O)nn2)CC1 Cc1ccccc1C[*:1] C[C@H](O)c1cn(CC2CCN(CC2)C(=O)C[*:1])nn1
CCOC(=O)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 Clc1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)C1(CCC1)[*:1]
CCOC(=O)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 CCOC(=O)[*:1] O=C(N1CCC(CC1)[*:1])C1(CCC1)c1ccc(Cl)cc1
CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[NH+](Cc1cn(C)c3ccccc13)C2 O=C(NCc1cccnc1)[*:1] CC(C)Cn1nc(c2C[NH+](CCc21)Cc1cn(C)c2ccccc12)[*:1]
CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[NH+](Cc1cn(C)c3ccccc13)C2 CC(C)[*:1] Cn1cc(C[NH+]2CCc3c(C2)c(nn3C[*:1])C(=O)NCc2cccnc2)c2ccccc21
CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[NH+](Cc1cn(C)c3ccccc13)C2 Cn1cc(C[*:1])c2ccccc21 CC(C)Cn1nc(C(=O)NCc2cccnc2)c2C[NH+](CCc21)[*:1]
CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[NH+](Cc1cn(C)c3ccccc13)C2 Cn1cc(c2ccccc21)[*:1] CC(C)Cn1nc(C(=O)NCc2cccnc2)c2C[NH+](CCc21)C[*:1]
CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[NH+](Cc1cn(C)c3ccccc13)C2 CC(C)C[*:1] Cn1cc(C[NH+]2CCc3c(C2)c(nn3[*:1])C(=O)NCc2cccnc2)c2ccccc21
CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[NH+](Cc1cn(C)c3ccccc13)C2 c1cncc(c1)[*:1] CC(C)Cn1nc(C(=O)NC[*:1])c2C[NH+](CCc21)Cc1cn(C)c2ccccc12
CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[NH+](Cc1cn(C)c3ccccc13)C2 c1cncc(c1)C[*:1] CC(C)Cn1nc(C(=O)N[*:1])c2C[NH+](CCc21)Cc1cn(C)c2ccccc12
CC[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)[*:1]
CC(C)Oc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1 CC(C)Oc1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)c1cc(nc2ccccc12)[*:1]
CC(C)Oc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1 CC(C)O[*:1] O=C(NCCN1CCOCC1)c1cc(nc2ccccc12)-c1ccc(cc1)[*:1]
CC(C)Oc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1 C1CN(CCO1)C[*:1] CC(C)Oc1ccc(cc1)-c1cc(C(=O)NC[*:1])c2ccccc2n1
CC(C)Oc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1 C1CN(CCO1)[*:1] CC(C)Oc1ccc(cc1)-c1cc(C(=O)NCC[*:1])c2ccccc2n1
CC(C)Oc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1 CC(C)[*:1] O=C(NCCN1CCOCC1)c1cc(nc2ccccc12)-c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1 C1CN(CCO1)CC[*:1] CC(C)Oc1ccc(cc1)-c1cc(C(=O)N[*:1])c2ccccc2n1
Cc1nc(NC(=O)c2ccncc2C#CCCO)sc1C Cc1nc(sc1C)[*:1] O=C(N[*:1])c1ccncc1C#CCCO
Cc1nc(NC(=O)c2ccncc2C#CCCO)sc1C OCCC#C[*:1] Cc1nc(NC(=O)c2ccncc2[*:1])sc1C
Cc1nc(NC(=O)c2ccncc2C#CCCO)sc1C OCC[*:1] Cc1nc(NC(=O)c2ccncc2C#C[*:1])sc1C
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCc3ccccc3F)c2C(=O)N1C1CC1 Fc1ccccc1[*:1] C[C@]1(Cn2cnc(C(=O)NC[*:1])c2C(=O)N1C1CC1)C(=O)NCc1ccc(F)cc1
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCc3ccccc3F)c2C(=O)N1C1CC1 O=C(NCc1ccc(F)cc1)[*:1] C[C@]1(Cn2cnc(C(=O)NCc3ccccc3F)c2C(=O)N1C1CC1)[*:1]
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCc3ccccc3F)c2C(=O)N1C1CC1 Fc1ccccc1C[*:1] C[C@]1(Cn2cnc(C(=O)N[*:1])c2C(=O)N1C1CC1)C(=O)NCc1ccc(F)cc1
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCc3ccccc3F)c2C(=O)N1C1CC1 Fc1ccc(cc1)[*:1] C[C@]1(Cn2cnc(C(=O)NCc3ccccc3F)c2C(=O)N1C1CC1)C(=O)NC[*:1]
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCc3ccccc3F)c2C(=O)N1C1CC1 O=C(NCc1ccccc1F)[*:1] C[C@]1(Cn2cnc(c2C(=O)N1C1CC1)[*:1])C(=O)NCc1ccc(F)cc1
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCc3ccccc3F)c2C(=O)N1C1CC1 C1CC1[*:1] C[C@]1(Cn2cnc(C(=O)NCc3ccccc3F)c2C(=O)N1[*:1])C(=O)NCc1ccc(F)cc1
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCc3ccccc3F)c2C(=O)N1C1CC1 Fc1ccc(cc1)C[*:1] C[C@]1(Cn2cnc(C(=O)NCc3ccccc3F)c2C(=O)N1C1CC1)C(=O)N[*:1]
CCOc1cc(C)ccc1NCC(=O)N1C[C@@H](C)O[C@H](C)C1 CCO[*:1] Cc1ccc(NCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(c1)[*:1]
Cc1cnc(NC(=O)c2cccnc2Sc2ccc3c(c2)OCCO3)s1 Cc1cnc(s1)[*:1] O=C(N[*:1])c1cccnc1Sc1ccc2OCCOc2c1
CCCC[NH+](C)Cc1ccccc1N1CCOCC1 CCCC[*:1] C[NH+](Cc1ccccc1N1CCOCC1)[*:1]
CCCC[NH+](C)Cc1ccccc1N1CCOCC1 CCC[*:1] C[NH+](Cc1ccccc1N1CCOCC1)C[*:1]
CCCC[NH+](C)Cc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] CCCC[NH+](C)Cc1ccccc1[*:1]
COC[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O COC[C@H](C)[*:1] Cc1ccc(cc1)N1CC[C@@H](NC(=O)N[*:1])C1=O
COC[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O Cc1ccc(cc1)[*:1] COC[C@H](C)NC(=O)N[C@@H]1CCN(C1=O)[*:1]
COC[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O COC[*:1] Cc1ccc(cc1)N1CC[C@@H](NC(=O)N[C@@H](C)[*:1])C1=O
COc1ccc2c(c1)[C@@]([NH3+])(Cc1cccs1)CC2 c1csc(c1)C[*:1] COc1ccc2CC[C@]([NH3+])(c2c1)[*:1]
COc1ccc2c(c1)[C@@]([NH3+])(Cc1cccs1)CC2 c1csc(c1)[*:1] COc1ccc2CC[C@]([NH3+])(C[*:1])c2c1
CCCN(CC(=O)NC)C(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 CNC(=O)C[*:1] CCCN(C(=O)[C@H]1C[C@@H]1c1ccc(cc1)C(C)C)[*:1]
CCCN(CC(=O)NC)C(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 CNC(=O)[*:1] CCCN(C[*:1])C(=O)[C@H]1C[C@@H]1c1ccc(cc1)C(C)C
CCCN(CC(=O)NC)C(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CCCN(CC(=O)NC)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)[*:1]
CCCN(CC(=O)NC)C(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 CCC[*:1] CNC(=O)CN(C(=O)[C@H]1C[C@@H]1c1ccc(cc1)C(C)C)[*:1]
C[C@H](N[C@H](C)c1ccncc1)c1nc2c(s1)CCCC2 c1cc(ccn1)[*:1] C[C@H](N[C@H](C)[*:1])c1nc2CCCCc2s1
C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] C[C@H]([NH2+]Cc1ccc2OCOc2c1)C(=O)N[*:1]
Cc1ccc(CCC(=O)N2CCC(OCc3ccccc3C)CC2)cc1 Cc1ccccc1C[*:1] Cc1ccc(cc1)CCC(=O)N1CCC(CC1)O[*:1]
Cc1ccc(CCC(=O)N2CCC(OCc3ccccc3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)CC[*:1]
Cc1ccc(CCC(=O)N2CCC(OCc3ccccc3C)CC2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)CCC(=O)N1CCC(CC1)OC[*:1]
Cc1ccc(CCC(=O)N2CCC(OCc3ccccc3C)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)C[*:1]
CC(C)OCCS(=O)(=O)[N-]c1ccc2c(c1)CCO2 CC(C)OCC[*:1] O=S(=O)([N-]c1ccc2OCCc2c1)[*:1]
CC(C)OCCS(=O)(=O)[N-]c1ccc2c(c1)CCO2 CC(C)OC[*:1] O=S(=O)(C[*:1])[N-]c1ccc2OCCc2c1
CC(C)OCCS(=O)(=O)[N-]c1ccc2c(c1)CCO2 CC(C)O[*:1] O=S(=O)(CC[*:1])[N-]c1ccc2OCCc2c1
CC(C)OCCS(=O)(=O)[N-]c1ccc2c(c1)CCO2 CC(C)[*:1] O=S(=O)(CCO[*:1])[N-]c1ccc2OCCc2c1
CCC(=O)N1CCc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2C1 Clc1ccc(cc1)[*:1] CCC(=O)N1CCc2ccc(cc2C1)NC(=O)NC[*:1]
CCC(=O)N1CCc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2C1 Clc1ccc(cc1)C[*:1] CCC(=O)N1CCc2ccc(cc2C1)NC(=O)N[*:1]
CC[C@@H](C)C[C@H](C)n1c([C@@H](C)Cl)nc2c(C)nn(CC)c21 CC[C@@H](C)C[*:1] CCn1nc(C)c2nc([C@@H](C)Cl)n(c21)[C@@H](C)[*:1]
CC[C@@H](C)C[C@H](C)n1c([C@@H](C)Cl)nc2c(C)nn(CC)c21 C[C@@H](Cl)[*:1] CC[C@@H](C)C[C@H](C)n1c(nc2c(C)nn(CC)c21)[*:1]
CC[C@@H](C)C[C@H](C)n1c([C@@H](C)Cl)nc2c(C)nn(CC)c21 CC[C@@H](C)[*:1] CCn1nc(C)c2nc([C@@H](C)Cl)n(c21)[C@@H](C)C[*:1]
CC[C@@H](C)C[C@H](C)n1c([C@@H](C)Cl)nc2c(C)nn(CC)c21 CC[C@@H](C)C[C@H](C)[*:1] CCn1nc(C)c2nc([C@@H](C)Cl)n(c21)[*:1]
O=C(C1CC1)N1CCC[C@@H](c2cc(Oc3cccc(F)c3)nc(-c3cccnc3)n2)C1 c1cncc(c1)[*:1] O=C(C1CC1)N1CCC[C@H](C1)c1cc(nc(n1)[*:1])Oc1cccc(F)c1
O=C(C1CC1)N1CCC[C@@H](c2cc(Oc3cccc(F)c3)nc(-c3cccnc3)n2)C1 C1CC1[*:1] O=C(N1CCC[C@H](C1)c1cc(nc(n1)-c1cccnc1)Oc1cccc(F)c1)[*:1]
O=C(C1CC1)N1CCC[C@@H](c2cc(Oc3cccc(F)c3)nc(-c3cccnc3)n2)C1 Fc1cccc(c1)[*:1] O=C(C1CC1)N1CCC[C@H](C1)c1cc(nc(n1)-c1cccnc1)O[*:1]
O=C(C1CC1)N1CCC[C@@H](c2cc(Oc3cccc(F)c3)nc(-c3cccnc3)n2)C1 Fc1cccc(c1)O[*:1] O=C(C1CC1)N1CCC[C@H](C1)c1cc(nc(n1)-c1cccnc1)[*:1]
COc1ccc(N2C[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)N1C[C@@H](CC1=O)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(N2C[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1OC O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1OC)N1C[C@@H](CC1=O)NC(=O)[*:1]
CO[C@H]1CCCN(C(=O)Nc2ccc(OC(C)C)cc2F)C1 CC(C)O[*:1] CO[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1F)[*:1]
CO[C@H]1CCCN(C(=O)Nc2ccc(OC(C)C)cc2F)C1 CC(C)[*:1] CO[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1F)O[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1])c1cnccn1
CC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)cc1 CC(=O)N[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)c1ccc(cc1)[*:1])c1cnccn1
CC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)cc1 O=C(N[*:1])c1cnccn1 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2nc(sc2C1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)cc1 c1cnc(cn1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
C[C@H](C(=O)NCc1cccs1)N1CC[NH+](Cc2ccccc2)CC1 c1csc(c1)[*:1] C[C@H](C(=O)NC[*:1])N1CC[NH+](CC1)Cc1ccccc1
C[C@H](C(=O)NCc1cccs1)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](C(=O)NCc1cccs1)N1CC[NH+](CC1)[*:1]
C[C@H](C(=O)NCc1cccs1)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](C(=O)NCc1cccs1)N1CC[NH+](CC1)C[*:1]
C[C@H](C(=O)NCc1cccs1)N1CC[NH+](Cc2ccccc2)CC1 c1csc(c1)C[*:1] C[C@H](C(=O)N[*:1])N1CC[NH+](CC1)Cc1ccccc1
COc1cccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(Cl)cc2)c1 COc1cccc(c1)C[*:1] Cc1ccc2[nH]c(C(=O)N[*:1])c(NC(=O)c3ccc(Cl)cc3)c2c1
COc1cccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[*:1]
COc1cccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(Cl)cc2)c1 O=C(N[*:1])c1ccc(Cl)cc1 COc1cccc(c1)CNC(=O)c1[nH]c2ccc(C)cc2c1[*:1]
COc1cccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(Cl)cc2)c1 COc1cccc(c1)[*:1] Cc1ccc2[nH]c(C(=O)NC[*:1])c(NC(=O)c3ccc(Cl)cc3)c2c1
CC[NH2+][C@H](CC1CC1)c1cc(F)c(C)cc1F C1CC1[*:1] CC[NH2+][C@H](C[*:1])c1cc(F)c(C)cc1F
CC[NH2+][C@H](CC1CC1)c1cc(F)c(C)cc1F C1CC1C[*:1] CC[NH2+][C@H](c1cc(F)c(C)cc1F)[*:1]
C[C@H](NC(=O)[C@@H](C)n1cccn1)c1c(F)cccc1Cl c1cnn(c1)[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])c1c(F)cccc1Cl
FC(F)(F)c1cccc(-c2nnn(C/C=C/Cl)n2)c1 ClC=C[*:1] FC(F)(F)c1cccc(c1)-c1nnn(C[*:1])n1
FC(F)(F)c1cccc(-c2nnn(C/C=C/Cl)n2)c1 Cl/C=C/C[*:1] FC(F)(F)c1cccc(c1)-c1nnn(n1)[*:1]
FC(F)(F)c1cccc(-c2nnn(C/C=C/Cl)n2)c1 FC(F)(F)[*:1] Cl/C=C/Cn1nnc(n1)-c1cccc(c1)[*:1]
CCOC(=O)/C(CC)=C(\C)NNC(=O)c1ccccc1I CCOC(=O)[*:1] CCC(=C(C)NNC(=O)c1ccccc1I)[*:1]
CCOC(=O)/C(CC)=C(\C)NNC(=O)c1ccccc1I Ic1ccccc1[*:1] CCOC(=O)/C(CC)=C(\C)NNC(=O)[*:1]
CN[C@H](c1ccc(C(C)C)cc1)[C@@H]1CN2CC[NH+]1CC2 CC(C)[*:1] CN[C@H](c1ccc(cc1)[*:1])[C@@H]1CN2CC[NH+]1CC2
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CCO3)cc1OC c1cc2OCCc2cc1[*:1] COc1ccc(cc1OC)[C@H]1CCCN1C(=O)N[*:1]
CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cn(C)nc2C)cc1 Cc1nn(C)cc1[*:1] CCN(CC)C(=O)c1ccc(cc1)S(=O)(=O)N[C@@H](C)[*:1]
CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cn(C)nc2C)cc1 CCN(CC)C(=O)[*:1] Cc1nn(C)cc1[C@H](C)NS(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4scnc4c3)cc2)C1 c1nc2cc(ccc2s1)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CCN(C)c1cccc(NC(=O)C(=O)NC[C@H](C)N2CCOC[C@@H]2C)c1 CCN(C)[*:1] C[C@@H](CNC(=O)C(=O)Nc1cccc(c1)[*:1])N1CCOC[C@@H]1C
N#Cc1ccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)o1 C1CO[C@@H](C1)[*:1] N#Cc1ccc(CN2CCO[C@H](C2)[*:1])o1
CC[C@](C)(NC(=O)c1ccc2ccccc2c1O)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)c1ccc2ccccc2c1O)[*:1]
C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(=O)n(n1)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)Nc1ccc(cc1)[*:1]
O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(C(=O)Cn1cc3ccccc3n1)CC2 C1CC1C[*:1] O=C(NCc1nccs1)c1nn(c2CCN(Cc12)C(=O)Cn1cc2ccccc2n1)[*:1]
O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(C(=O)Cn1cc3ccccc3n1)CC2 O=C(NCc1nccs1)[*:1] O=C(Cn1cc2ccccc2n1)N1CCc2c(C1)c(nn2CC1CC1)[*:1]
O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(C(=O)Cn1cc3ccccc3n1)CC2 c1ccc2nn(cc2c1)C[*:1] O=C(NCc1nccs1)c1nn(CC2CC2)c2CCN(Cc12)C(=O)[*:1]
O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(C(=O)Cn1cc3ccccc3n1)CC2 C1CC1[*:1] O=C(NCc1nccs1)c1nn(C[*:1])c2CCN(Cc12)C(=O)Cn1cc2ccccc2n1
O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(C(=O)Cn1cc3ccccc3n1)CC2 c1ccc2nn(cc2c1)[*:1] O=C(NCc1nccs1)c1nn(CC2CC2)c2CCN(Cc12)C(=O)C[*:1]
O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(C(=O)Cn1cc3ccccc3n1)CC2 c1csc(n1)[*:1] O=C(NC[*:1])c1nn(CC2CC2)c2CCN(Cc12)C(=O)Cn1cc2ccccc2n1
O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(C(=O)Cn1cc3ccccc3n1)CC2 c1csc(C[*:1])n1 O=C(N[*:1])c1nn(CC2CC2)c2CCN(Cc12)C(=O)Cn1cc2ccccc2n1
Cc1cccc(NC(=O)CCNC(=O)C[C@H](C)C(C)C)n1 CC(C)[*:1] Cc1cccc(n1)NC(=O)CCNC(=O)C[C@H](C)[*:1]
Cc1cccc(NC(=O)CCNC(=O)C[C@H](C)C(C)C)n1 CC(C)[C@@H](C)[*:1] Cc1cccc(n1)NC(=O)CCNC(=O)C[*:1]
Cc1cccc(NC(=O)CCNC(=O)C[C@H](C)C(C)C)n1 Cc1cccc(n1)[*:1] CC(C)[C@@H](C)CC(=O)NCCC(=O)N[*:1]
Cc1cccc(NC(=O)CCNC(=O)C[C@H](C)C(C)C)n1 CC(C)[C@@H](C)C[*:1] Cc1cccc(n1)NC(=O)CCNC(=O)[*:1]
COCc1ccc([S@](=O)CC(=O)NCc2ccccc2)cc1 COC[*:1] O=C(C[S@@](=O)c1ccc(cc1)[*:1])NCc1ccccc1
COCc1ccc([S@](=O)CC(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] COCc1ccc(cc1)[S@](=O)CC(=O)N[*:1]
COCc1ccc([S@](=O)CC(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] COCc1ccc(cc1)[S@](=O)CC(=O)NC[*:1]
CCC(CC)[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2S1 CCC(CC)[*:1] C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2S1)[*:1]
CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(F)ccc2O)C1 CC(C)[*:1] O=C(N[C@H]1CCC[C@H](C1)C(=O)N[*:1])c1cc(F)ccc1O
CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(F)ccc2O)C1 CC(C)NC(=O)[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])c1cc(F)ccc1O
C=CCn1c(S)nnc1-c1ccc(C)c(C)c1 C=CC[*:1] Cc1ccc(cc1C)-c1nnc(S)n1[*:1]
N#Cc1ccc(Cl)cc1NCc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] N#Cc1ccc(Cl)cc1NCc1ccc(c(F)c1)[*:1]
CCc1ccc(C(=O)Nc2ccc(OC)cc2C(=O)NC2CC2)o1 C1CC1[*:1] CCc1ccc(o1)C(=O)Nc1ccc(cc1C(=O)N[*:1])OC
CCc1ccc(C(=O)Nc2ccc(OC)cc2C(=O)NC2CC2)o1 O=C(NC1CC1)[*:1] CCc1ccc(o1)C(=O)Nc1ccc(cc1[*:1])OC
CCc1ccc(C(=O)Nc2ccc(OC)cc2C(=O)NC2CC2)o1 CCc1ccc(o1)[*:1] COc1ccc(NC(=O)[*:1])c(c1)C(=O)NC1CC1
O=C(NCc1ccccc1)c1cnn2c1OCCC2 c1ccc(cc1)[*:1] O=C(NC[*:1])c1cnn2CCCOc12
CCCCC1CCC(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 N#Cc1c(F)cccc1[*:1] CCCCC1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
CCCCC1CCC(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 CCC[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C(=O)C1CCC(CC1)C[*:1]
CCCCC1CCC(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 CCCC[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C(=O)C1CCC(CC1)[*:1]
CN(C(=O)c1ccccc1)c1cccc2ncccc12 c1ccc(cc1)[*:1] CN(C(=O)[*:1])c1cccc2ncccc12
CC[C@]1(C)C[C@@H]([C@](O)(C(=O)OC)C(C)C)CCO1 COC(=O)[*:1] CC[C@]1(C)C[C@H](CCO1)[C@](O)(C(C)C)[*:1]
CC[C@]1(C)C[C@@H]([C@](O)(C(=O)OC)C(C)C)CCO1 CC(C)[*:1] CC[C@]1(C)C[C@H](CCO1)[C@](O)(C(=O)OC)[*:1]
C#CCNCC(=O)NCCNC(=O)C(C)C C#CCN[*:1] CC(C)C(=O)NCCNC(=O)C[*:1]
C#CCNCC(=O)NCCNC(=O)C(C)C CC(C)[*:1] C#CCNCC(=O)NCCNC(=O)[*:1]
C#CCNCC(=O)NCCNC(=O)C(C)C C#CC[*:1] CC(C)C(=O)NCCNC(=O)CN[*:1]
C#CCNCC(=O)NCCNC(=O)C(C)C C#CCNC[*:1] CC(C)C(=O)NCCNC(=O)[*:1]
CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 CCO[*:1] O=C1c2ccccc2N[C@H](c2ccccc2[*:1])N1C1CC1
CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 C1CC1[*:1] CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1[*:1]
CCN(C(=O)Nc1ccc(C(=O)NC)cc1)[C@H](C)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] CCN(C(=O)Nc1ccc(cc1)C(=O)NC)[C@H](C)[*:1]
CCN(C(=O)Nc1ccc(C(=O)NC)cc1)[C@H](C)c1cc2ccccc2o1 CNC(=O)[*:1] CCN(C(=O)Nc1ccc(cc1)[*:1])[C@H](C)c1cc2ccccc2o1
Cc1ccc(CS[C@H]2[NH+]=c3ccc([N+](=O)[O-])cc3=[NH+]2)cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc2=[NH+][C@@H]([NH+]=c2c1)SC[*:1]
Cc1ccc(CS[C@H]2[NH+]=c3ccc([N+](=O)[O-])cc3=[NH+]2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CS[C@H]1[NH+]=c2ccc(cc2=[NH+]1)[*:1]
Cc1cc(NCc2ccc3c(c2)OCO3)c(C=O)c(=O)n1C[C@@H]1CCCO1 c1cc2OCOc2cc1[*:1] Cc1cc(NC[*:1])c(C=O)c(=O)n1C[C@@H]1CCCO1
COc1ccccc1OCCC(=O)N1CC[C@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] COc1ccccc1OCCC(=O)N1CC[C@H](C1)[*:1]
COc1ccccc1OCCC(=O)N1CC[C@H](Cc2ccccc2)C1 COc1ccccc1[*:1] O=C(CCO[*:1])N1CC[C@H](Cc2ccccc2)C1
COc1ccccc1OCCC(=O)N1CC[C@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] COc1ccccc1OCCC(=O)N1CC[C@@H](C1)C[*:1]
COc1ccc([C@H](C)NC(=O)c2cnn(C)c2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@H](C)NC(=O)c1cnn(C)c1[*:1]
CC(C)Cn1cc(NC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cn1 CC(C)C[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)Nc1cnn(c1)[*:1]
CC(C)Cn1cc(NC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cn1 CC(C)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)Nc1cnn(c1)C[*:1]
CC(C)Cn1cc(NC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cn1 CC(C)[*:1] CC(C)Cn1cc(cn1)NC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)Cn1cc(NC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cn1 CC(C)C(=O)N[*:1] CC(C)Cn1cc(cn1)NC(=O)Nc1ccc(cc1)[*:1]
C[C@H]1CCCCN1c1ncnc2onc(-c3cccc(Cl)c3)c12 Clc1cccc(c1)[*:1] C[C@H]1CCCCN1c1ncnc2onc(c12)[*:1]
C[C@H]1CCCCN1c1ncnc2onc(-c3cccc(Cl)c3)c12 C[C@H]1CCCCN1[*:1] Clc1cccc(c1)-c1noc2ncnc(c12)[*:1]
Cc1noc(NC(=O)CCOC(C)C)n1 CC(C)[*:1] Cc1noc(n1)NC(=O)CCO[*:1]
Cc1noc(NC(=O)CCOC(C)C)n1 CC(C)OC[*:1] Cc1noc(n1)NC(=O)C[*:1]
Cc1noc(NC(=O)CCOC(C)C)n1 CC(C)O[*:1] Cc1noc(n1)NC(=O)CC[*:1]
O=S(=O)(c1ccc(Cl)s1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] O=S(=O)(c1ccc(Cl)s1)N1CCCN(CC1)S(=O)(=O)[*:1]
CCSc1cncc(N(C)CC(=O)Nc2ccccc2)n1 CCS[*:1] CN(CC(=O)Nc1ccccc1)c1cncc(n1)[*:1]
CCSc1cncc(N(C)CC(=O)Nc2ccccc2)n1 c1ccc(cc1)[*:1] CCSc1cncc(n1)N(C)CC(=O)N[*:1]
Cc1ccc(C(=O)c2ccccc2C(=O)NCC(=O)NC(C)(C)C)cc1C CC(C)(C)NC(=O)[*:1] Cc1ccc(cc1C)C(=O)c1ccccc1C(=O)NC[*:1]
Cc1ccc(C(=O)c2ccccc2C(=O)NCC(=O)NC(C)(C)C)cc1C Cc1ccc(cc1C)[*:1] CC(C)(C)NC(=O)CNC(=O)c1ccccc1C(=O)[*:1]
Cc1ccc(C(=O)c2ccccc2C(=O)NCC(=O)NC(C)(C)C)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)C(=O)c1ccccc1C(=O)NCC(=O)N[*:1]
Cc1ccc(C(=O)c2ccccc2C(=O)NCC(=O)NC(C)(C)C)cc1C CC(C)(C)NC(=O)C[*:1] Cc1ccc(cc1C)C(=O)c1ccccc1C(=O)N[*:1]
CCOc1ccc([C@@H]2C[C@@H]2C[NH3+])cc1 CCO[*:1] [NH3+]C[C@H]1C[C@H]1c1ccc(cc1)[*:1]
O=C1/C(=C/c2cccc(Cl)c2)COc2cc3c(cc21)OCO3 Clc1cccc(c1)[*:1] O=C1C(=C[*:1])COc2cc3OCOc3cc21
C[NH2+][C@]1(C(=O)[O-])CC[C@@H](Sc2cc(F)ccc2F)C1 O=C([O-])[*:1] C[NH2+][C@@]1(CC[C@H](C1)Sc1cc(F)ccc1F)[*:1]
COCCO[C@@H](C)C(=O)/N=c1\sccn1Cc1ccccc1F COCC[*:1] C[C@H](O[*:1])C(=O)/N=c1\sccn1Cc1ccccc1F
COCCO[C@@H](C)C(=O)/N=c1\sccn1Cc1ccccc1F COC[*:1] C[C@H](OC[*:1])C(=O)/N=c1\sccn1Cc1ccccc1F
COCCO[C@@H](C)C(=O)/N=c1\sccn1Cc1ccccc1F COCCO[*:1] C[C@@H](C(=O)/N=c1\sccn1Cc1ccccc1F)[*:1]
COCCO[C@@H](C)C(=O)/N=c1\sccn1Cc1ccccc1F Fc1ccccc1[*:1] COCCO[C@@H](C)C(=O)/N=c1\sccn1C[*:1]
CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C(=O)[O-])[*:1]
CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 CC(C)[*:1] Cn1c(cc2cc(Cl)ccc21)C(=O)N[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1)[*:1]
C=C1C[C@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@H](OC(=O)OCC)[C@]3(C)CC[C@H]12 CCOC(=O)O[*:1] C=C1C[C@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@H]([C@]3(C)CC[C@H]12)[*:1]
CC(C)NC(=O)c1ccc(OCc2nc(-c3ccco3)cs2)cc1 CC(C)[*:1] O=C(N[*:1])c1ccc(cc1)OCc1nc(cs1)-c1ccco1
CC(C)NC(=O)c1ccc(OCc2nc(-c3ccco3)cs2)cc1 CC(C)NC(=O)[*:1] c1coc(c1)-c1csc(COc2ccc(cc2)[*:1])n1
CC(C)NC(=O)c1ccc(OCc2nc(-c3ccco3)cs2)cc1 c1coc(c1)[*:1] CC(C)NC(=O)c1ccc(cc1)OCc1nc(cs1)[*:1]
CCOc1cccc([C@H](C)NC[C@H]2C[NH+]3CCN2CC3)c1 CCO[*:1] C[C@H](NC[C@H]1C[NH+]2CCN1CC2)c1cccc(c1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 CSC[*:1] CC[C@@H](N(C)C(=O)c1ccc(cc1)S(=O)(=O)C1CCCC1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 O=S(=O)(C1CCCC1)[*:1] CC[C@@H](CSC)N(C)C(=O)c1ccc(cc1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] CC[C@@H](CSC)N(C)C(=O)c1ccc(cc1)S(=O)(=O)[*:1]
CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 Clc1cccc(c1)[*:1] CC[C@H](O[*:1])C(=O)N[C@H](CC)c1ccc(C)cc1
CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)[*:1]
CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 Clc1cccc(c1)O[*:1] CC[C@H](C(=O)N[C@H](CC)c1ccc(C)cc1)[*:1]
CCCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1=O CCCC[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(=O)n(n1)[*:1]
CCCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1=O CCC[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(=O)n(C[*:1])n1
CCCCc1nc2ccccc2[nH]1 CCC[*:1] c1ccc2[nH]c(C[*:1])nc2c1
CCCCc1nc2ccccc2[nH]1 CCCC[*:1] c1ccc2[nH]c(nc2c1)[*:1]
CC(=O)c1ccc(NC(=O)N[C@@H]2CC=CCC2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@@H]1CC=CCC1
CN(C)C(=O)c1ccc([C@H]2CN(Cc3ccnn3C)CCO2)nc1 CN(C)C(=O)[*:1] Cn1nccc1CN1CCO[C@H](C1)c1ccc(cn1)[*:1]
CN(C)C(=O)c1ccc([C@H]2CN(Cc3ccnn3C)CCO2)nc1 Cn1nccc1[*:1] CN(C)C(=O)c1ccc(nc1)[C@H]1CN(CCO1)C[*:1]
CN(C)C(=O)c1ccc([C@H]2CN(Cc3ccnn3C)CCO2)nc1 Cn1nccc1C[*:1] CN(C)C(=O)c1ccc(nc1)[C@H]1CN(CCO1)[*:1]
C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@@H]2CCOC2)C1=O C1C[C@H](CO1)C[*:1] C[C@@H]1Oc2ccccc2N(CC(=O)N[*:1])C1=O
C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@@H]2CCOC2)C1=O C1C[C@H](CO1)[*:1] C[C@@H]1Oc2ccccc2N(CC(=O)NC[*:1])C1=O
C[S@](=O)c1nncn1Cc1coc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] C[S@](=O)c1nncn1Cc1coc(n1)[*:1]
CCOc1ccccc1NC(=O)c1c(Cl)ccc(Cl)c1OC CCO[*:1] COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccccc1[*:1]
CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nccs3)c2)C1 c1csc(n1)[*:1] CC[NH+](CC)[C@H]1CCN(C1)C(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1csc(NC(=O)N2CCC[C@H]2Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)N1CCC[C@H]1C[*:1]
Cc1csc(NC(=O)N2CCC[C@H]2Cc2ccccc2)n1 Cc1csc(n1)[*:1] O=C(N[*:1])N1CCC[C@H]1Cc1ccccc1
Cc1csc(NC(=O)N2CCC[C@H]2Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)NC(=O)N1CCC[C@@H]1[*:1]
CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1NN C1CO[C@@H](C1)[*:1] CCN(C[*:1])C(=O)c1ccc(C)cc1NN
CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1NN C1CO[C@@H](C1)C[*:1] CCN(C(=O)c1ccc(C)cc1NN)[*:1]
Cc1ncsc1C(=O)N1CCC[C@@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1 CN(C)[*:1] Cc1ncsc1C(=O)N1CCC[C@H](C1)c1cc2nc(ncc2c(=O)[nH]1)[*:1]
Cc1ncsc1C(=O)N1CCC[C@@H](c2cc3nc(N(C)C)ncc3c(=O)[nH]2)C1 Cc1ncsc1[*:1] CN(C)c1ncc2c(=O)[nH]c(cc2n1)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc([C@@H](C)[NH2+]Cc2nncn2C(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)[C@@H](C)[NH2+]Cc1nncn1[*:1]
CCCN1C(=O)[C@@H](CC(=O)NC(C)C)Sc2ncccc21 CCC[*:1] CC(C)NC(=O)C[C@H]1Sc2ncccc2N(C1=O)[*:1]
CCCN1C(=O)[C@@H](CC(=O)NC(C)C)Sc2ncccc21 CC(C)NC(=O)[*:1] CCCN1C(=O)[C@@H](C[*:1])Sc2ncccc21
CCCN1C(=O)[C@@H](CC(=O)NC(C)C)Sc2ncccc21 CC(C)[*:1] CCCN1C(=O)[C@@H](CC(=O)N[*:1])Sc2ncccc21
CCCN1C(=O)[C@@H](CC(=O)NC(C)C)Sc2ncccc21 CC(C)NC(=O)C[*:1] CCCN1C(=O)[C@@H](Sc2ncccc21)[*:1]
Cc1ccc(CC(=O)NC[C@H](C2CC2)[NH+](C)C)cc1O C1CC1[*:1] Cc1ccc(cc1O)CC(=O)NC[C@H]([NH+](C)C)[*:1]
CCCCNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21 C1CC1[*:1] CCCCNC(=O)Cn1nc(C)c2c(cc(nc21)[*:1])C(F)(F)F
CCCCNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21 CCCCNC(=O)C[*:1] Cc1nn(c2nc(cc(c12)C(F)(F)F)C1CC1)[*:1]
CCCCNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21 CCC[*:1] Cc1nn(CC(=O)NC[*:1])c2nc(cc(c12)C(F)(F)F)C1CC1
CCCCNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21 CCCCNC(=O)[*:1] Cc1nn(C[*:1])c2nc(cc(c12)C(F)(F)F)C1CC1
CCCCNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21 CCCC[*:1] Cc1nn(CC(=O)N[*:1])c2nc(cc(c12)C(F)(F)F)C1CC1
CCCCNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21 FC(F)(F)[*:1] CCCCNC(=O)Cn1nc(C)c2c(cc(nc21)C1CC1)[*:1]
Cn1ccc(-c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)c3ccccc3n2)n1 c1ccc(C[*:1])nc1 Cn1ccc(n1)-c1cc(C(=O)N2CCN(CC2)[*:1])c2ccccc2n1
Cn1ccc(-c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)c3ccccc3n2)n1 c1ccc(nc1)[*:1] Cn1ccc(n1)-c1cc(C(=O)N2CCN(CC2)C[*:1])c2ccccc2n1
Cn1ccc(-c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)c3ccccc3n2)n1 Cn1ccc(n1)[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCN(CC1)Cc1ccccn1
Cc1cccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 Cc1cccc(c1)[*:1] C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[*:1]
CCc1ccc([C@H](CO)NC(=O)c2cc(C)n(C(C)(C)C)n2)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)[C@H](CO)NC(=O)c1cc(C)n(n1)[*:1]
CCc1ccc([C@H](CO)NC(=O)c2cc(C)n(C(C)(C)C)n2)cc1 CCc1ccc(cc1)[*:1] Cc1cc(nn1C(C)(C)C)C(=O)N[C@@H](CO)[*:1]
O=C(NCCCCN1CCOCC1)C(=O)Nc1cccc(F)c1 C1CN(CCO1)[*:1] O=C(NCCCC[*:1])C(=O)Nc1cccc(F)c1
O=C(NCCCCN1CCOCC1)C(=O)Nc1cccc(F)c1 C1CN(CCO1)C[*:1] O=C(NCCC[*:1])C(=O)Nc1cccc(F)c1
O=C(NCCCCN1CCOCC1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCCCN1CCOCC1)C(=O)N[*:1]
N#CCOc1cccc(CC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1 c1cnn(c1)[*:1] N#CCOc1cccc(c1)CC(=O)N[C@H]1CCCC[C@H]1[*:1]
N#CCOc1cccc(CC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])N[C@H]1CCCC[C@@H]1n1cccn1
N#CCOc1cccc(CC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])N[C@H]1CCCC[C@@H]1n1cccn1
CCn1nc(C)c(NC(=O)NCCCc2cccc(OC)c2)c1C COc1cccc(c1)[*:1] CCn1nc(C)c(NC(=O)NCCC[*:1])c1C
Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2ccc(C(C)C)cc2)sc1C CC(C)[*:1] Cc1nc(sc1C)C(C)(C)[NH2+]CC(=O)Nc1ccc(cc1)[*:1]
Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2ccc(C(C)C)cc2)sc1C Cc1nc(sc1C)[*:1] CC(C)c1ccc(cc1)NC(=O)C[NH2+]C(C)(C)[*:1]
O=C(NCCOC1CCCCCC1)N1CC[C@@H]([N+]2=CCCC2)C1 C1CCCC(CC1)[*:1] O=C(NCCO[*:1])N1CC[C@H](C1)[N+]1=CCCC1
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CC[C@@H](C)[C@@H](O)C1 C[C@H](O[*:1])c1ccccc1 Cc1cc(ccc1NC(=O)N1CC[C@@H](C)[C@@H](O)C1)[*:1]
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CC[C@@H](C)[C@@H](O)C1 C[C@@H](c1ccccc1)[*:1] Cc1cc(ccc1NC(=O)N1CC[C@@H](C)[C@@H](O)C1)O[*:1]
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CC[C@@H](C)[C@@H](O)C1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)N1CC[C@@H](C)[C@@H](O)C1)O[C@@H](C)[*:1]
Cc1ccc(NC(=O)CCSc2nnc(C(F)(F)F)n2N)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC(=O)CCSc1nnc(n1N)[*:1]
Cc1ccc(NC(=O)CCSc2nnc(C(F)(F)F)n2N)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1C(F)(F)F)SCCC(=O)N[*:1]
CCN(Cc1cccc(C)n1)C(=O)NC[C@@H](C)C(=O)[O-] O=C([O-])[*:1] CCN(Cc1cccc(C)n1)C(=O)NC[C@@H](C)[*:1]
O=C(c1cnc2ccccc2n1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cnc2ccccc2n1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1cnc2ccccc2n1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cnc2ccccc2n1)N1CCN(CC1)S(=O)(=O)C[*:1]
O=C1N[C@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)N2CCOC[C@@H]12 c1ccc(cc1)C[*:1] O=C1N[C@H](c2cn(nc2-c2ccccc2)[*:1])N2CCOC[C@@H]12
O=C1N[C@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)N2CCOC[C@@H]12 c1ccc(cc1)[*:1] O=C1N[C@H](c2cn(Cc3ccccc3)nc2[*:1])N2CCOC[C@@H]12
O=C1N[C@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)N2CCOC[C@@H]12 c1ccc(cc1)[*:1] O=C1N[C@H](c2cn(C[*:1])nc2-c2ccccc2)N2CCOC[C@@H]12
Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)NC(=O)N(Cc1ccccc1)C[C@@H](O)[*:1]
Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])N(Cc1ccccc1)C[C@@H](O)c1ccco1
Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)N(C[C@@H](O)c1ccco1)C[*:1]
Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)NC(=O)N(C[C@@H](O)c1ccco1)[*:1]
C[C@H](CO)[C@H](C)Nc1nccc(OCc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](CO)[C@H](C)Nc1nccc(n1)OC[*:1]
C[C@H](CO)[C@H](C)Nc1nccc(OCc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H](CO)[C@H](C)Nc1nccc(n1)O[*:1]
C[C@H](CO)[C@H](C)Nc1nccc(OCc2ccccc2)n1 C[C@H](CO)[*:1] C[C@H](Nc1nccc(n1)OCc1ccccc1)[*:1]
COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1cccc(C)c1 O=[N+]([O-])[*:1] COc1ccc(cc1O[C@H](C)C(=O)Nc1cccc(C)c1)[*:1]
COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1cccc(C)c1 Cc1cccc(c1)[*:1] COc1ccc(cc1O[C@H](C)C(=O)N[*:1])[N+](=O)[O-]
Cc1nc(-c2cnn(C)c2)sc1C(=O)O[C@@H](C)[C@H]1CCCO1 Cn1cc(cn1)[*:1] Cc1nc(sc1C(=O)O[C@@H](C)[C@H]1CCCO1)[*:1]
Cc1nc(-c2cnn(C)c2)sc1C(=O)O[C@@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1nc(sc1C(=O)O[C@@H](C)[*:1])-c1cnn(C)c1
CCCCc1nc(S(=O)(=O)c2ccccc2)c(N(C)C)o1 CN(C)[*:1] CCCCc1nc(c(o1)[*:1])S(=O)(=O)c1ccccc1
CCCCc1nc(S(=O)(=O)c2ccccc2)c(N(C)C)o1 CCC[*:1] CN(C)c1oc(C[*:1])nc1S(=O)(=O)c1ccccc1
CCCCc1nc(S(=O)(=O)c2ccccc2)c(N(C)C)o1 c1ccc(cc1)[*:1] CCCCc1nc(c(o1)N(C)C)S(=O)(=O)[*:1]
CCCCc1nc(S(=O)(=O)c2ccccc2)c(N(C)C)o1 CCCC[*:1] CN(C)c1oc(nc1S(=O)(=O)c1ccccc1)[*:1]
CN(Cc1ccccc1N1CCCC1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 C1CCN(C1)[*:1] CN(Cc1ccccc1[*:1])C(=O)C1CCN(CC1)S(=O)(=O)c1cccs1
CN(Cc1ccccc1N1CCCC1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] CN(Cc1ccccc1N1CCCC1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Cn1ccnc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 c1cn(cn1)[*:1] O=C(C[*:1])N[C@H](c1ccccc1)c1ccc(Cl)cc1
O=C(Cn1ccnc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(Cn1ccnc1)N[C@H](c1ccc(Cl)cc1)[*:1]
O=C(Cn1ccnc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cn1ccnc1)N[C@H](c1ccccc1)[*:1]
O=C(Cn1ccnc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 c1cn(cn1)C[*:1] O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)[*:1]
COC(=O)c1ccc(-c2noc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 COC(=O)[*:1] c1ccc2oc(nc2c1)[C@@H]1CCCN(Cc2nc(no2)-c2ccc(cc2)[*:1])C1
COC(=O)c1ccc(-c2noc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 c1ccc2oc(nc2c1)[*:1] COC(=O)c1ccc(cc1)-c1noc(CN2CCC[C@@H](C2)[*:1])n1
COC(=O)c1ccc(-c2noc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 COC(=O)c1ccc(cc1)[*:1] c1ccc2oc(nc2c1)[C@@H]1CCCN(Cc2nc(no2)[*:1])C1
COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C COC[*:1] C[C@H](C(=O)N1CCCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C[*:1])[C@@H](C)[C@@H]2[C@H]1O
COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C COCCC(=O)N[*:1] C[C@H](C(=O)N1CCCCC1)[C@@H]1CC[C@@]2(C)CC[C@@H]([C@@H](C)[C@@H]2[C@H]1O)[*:1]
COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C C[C@H](C(=O)N1CCCCC1)[*:1] COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](O)[C@H]2[C@@H]1C)[*:1]
COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C COCC[*:1] C[C@H](C(=O)N1CCCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)[*:1])[C@@H](C)[C@@H]2[C@H]1O
COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@H]2[C@@H]1C O=C(N1CCCCC1)[*:1] COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](O)[C@H]2[C@@H]1C)[C@H](C)[*:1]
CN1C[C@H](NC(=O)N(C)C2CCN(c3cccc(F)c3)CC2)CCC1=O Fc1cccc(c1)[*:1] CN1C[C@@H](CCC1=O)NC(=O)N(C)C1CCN(CC1)[*:1]
CC(C)c1cc(C2CCN(C(=O)CS(C)(=O)=O)CC2)[nH]n1 CS(=O)(=O)C[*:1] CC(C)c1cc([nH]n1)C1CCN(CC1)C(=O)[*:1]
CC(C)c1cc(C2CCN(C(=O)CS(C)(=O)=O)CC2)[nH]n1 CS(=O)(=O)[*:1] CC(C)c1cc([nH]n1)C1CCN(CC1)C(=O)C[*:1]
CC(C)c1cc(C2CCN(C(=O)CS(C)(=O)=O)CC2)[nH]n1 CC(C)[*:1] CS(=O)(=O)CC(=O)N1CCC(CC1)c1cc(n[nH]1)[*:1]
CC(=O)O[C@]1(C(C)=O)C[C@@H](O)[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C CC(=O)O[*:1] CC(=O)[C@@]1(C[C@@H](O)[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C)[*:1]
CC(=O)O[C@]1(C(C)=O)C[C@@H](O)[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C CC(=O)[*:1] CC(=O)O[C@@]1(C[C@@H](O)[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C)[*:1]
N#CCNC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1 N#CC[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)C(=O)N[*:1]
N#CCNC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] N#CCNC(=O)C(=O)NCc1ccc(cc1)[*:1]
CC(C)C(=O)N[C@@H](C)Cn1c(=O)oc2ccccc21 CC(C)C(=O)N[*:1] C[C@@H](Cn1c(=O)oc2ccccc21)[*:1]
CC(C)C(=O)N[C@@H](C)Cn1c(=O)oc2ccccc21 CC(C)[*:1] C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)N1CCOCC1
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccc(cc1)C(=O)N1CCOCC1
Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2oc3C(=O)N(c4ccccn4)[C@@H](c3c(=O)c2c1)[*:1]
Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
CS[C@H]1CC[C@@H](NC(=O)Cc2nc(-c3ccsc3)oc2C)C1 c1cc(cs1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)Cc1nc(oc1C)[*:1]
CCOc1cc2c(cc1NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)O[C@@H](C)C2 CCO[*:1] Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1cc2O[C@@H](C)Cc2cc1[*:1]
CCOc1cc2c(cc1NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)O[C@@H](C)C2 Cc1[nH]c(=O)[nH]c(=O)c1[*:1] CCOc1cc2C[C@H](C)Oc2cc1NC(=O)CC[*:1]
COc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1Cl C1CCC(CC1)[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)N[C@H]1C[C@@H]1[*:1]
CCn1cc(C(=O)C(F)(F)F)cn1 FC(F)(F)[*:1] CCn1cc(cn1)C(=O)[*:1]
COC(=O)c1cccc(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)n1 COC(=O)[*:1] Cc1ccc(C[C@H](C)NC(=O)c2cccc(n2)[*:1])c(C)c1
COC(=O)c1cccc(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)n1 Cc1ccc(c(C)c1)[*:1] COC(=O)c1cccc(n1)C(=O)N[C@@H](C)C[*:1]
C[C@@H](O)[C@@H](C)Nc1ccc2sccc2c1 C[C@@H](O)[C@@H](C)[*:1] c1cc2cc(ccc2s1)N[*:1]
C[C@@H](O)[C@@H](C)Nc1ccc2sccc2c1 C[C@@H](O)[*:1] C[C@@H](Nc1ccc2sccc2c1)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)N1CCCC[C@@H]1C(=O)[O-] c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCCC[C@@H]1C(=O)[O-]
C[C@H](NC(=O)c1cccs1)C(=O)N1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)c1cccs1)C(=O)N1CCCC[C@H]1[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1OCCc2ccccc21 Cc1n[nH]c(C)c1[*:1] O=C([C@@H]1OCCc2ccccc21)N1CCC[C@H]1[*:1]
CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)C(C)C)cc1F CCO[*:1] CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(c(F)c1)[*:1]
CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)C(C)C)cc1F CC(C)[*:1] CCOc1ccc(cc1F)NC(=O)[C@H]1CCCN1C(=O)[*:1]
C[S@@](=O)c1ccc(NC(=O)NCCCOC2CCCCC2)cc1 C1CCC(CC1)O[*:1] C[S@@](=O)c1ccc(cc1)NC(=O)NCCC[*:1]
C[S@@](=O)c1ccc(NC(=O)NCCCOC2CCCCC2)cc1 C1CCC(CC1)[*:1] C[S@@](=O)c1ccc(cc1)NC(=O)NCCCO[*:1]
COc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 COc1ccc(cc1)[*:1] C[C@H](OC(=O)[*:1])c1nc2ccccc2n1C(F)F
COc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 FC(F)[*:1] COc1ccc(cc1)C(=O)O[C@@H](C)c1nc2ccccc2n1[*:1]
CCOc1cc(C=O)cc(Cl)c1OCc1ccccc1 c1ccc(cc1)[*:1] CCOc1cc(C=O)cc(Cl)c1OC[*:1]
CCOc1cc(C=O)cc(Cl)c1OCc1ccccc1 CCO[*:1] O=Cc1cc(Cl)c(OCc2ccccc2)c(c1)[*:1]
CCC[C@@]1(C=O)NC(=O)NC1=O CCC[*:1] O=C[C@]1(NC(=O)NC1=O)[*:1]
CCCc1ccc([C@@H]([NH2+]C)C(C)(C)N2CCOCC2)cc1 CCC[*:1] C[NH2+][C@H](c1ccc(cc1)[*:1])C(C)(C)N1CCOCC1
CCCc1ccc([C@@H]([NH2+]C)C(C)(C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] CCCc1ccc(cc1)[C@@H]([NH2+]C)C(C)(C)[*:1]
CO[C@@H](CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)c1ccccc1 C1CC1[*:1] CO[C@@H](CNC(=O)c1cc(nc2c1c(=O)[nH]n2C)[*:1])c1ccccc1
CO[C@@H](CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)c1ccccc1 CO[C@@H](c1ccccc1)[*:1] Cn1[nH]c(=O)c2c(cc(nc21)C1CC1)C(=O)NC[*:1]
CO[C@@H](CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)c1cc(nc2c1c(=O)[nH]n2C)C1CC1)[*:1]
CCC[NH2+][C@@H](c1cc(F)cc(F)c1)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] CCC[NH2+][C@@H](c1cc(F)cc(F)c1)[C@H](C)[*:1]
CCC[NH2+][C@@H](c1cc(F)cc(F)c1)[C@H](C)c1ccccn1 CCC[*:1] C[C@H](c1ccccn1)[C@@H]([NH2+][*:1])c1cc(F)cc(F)c1
CCc1ccc(NC(=O)N2CCC[C@@H]2C(N)=O)cc1F NC(=O)[*:1] CCc1ccc(cc1F)NC(=O)N1CCC[C@H]1[*:1]
O=C1N[C@H](c2ccc(OCc3ccncc3)cc2)Nc2ccc(Cl)cc21 c1cc(ccn1)CO[*:1] O=C1N[C@@H](Nc2ccc(Cl)cc21)c1ccc(cc1)[*:1]
O=C1N[C@H](c2ccc(OCc3ccncc3)cc2)Nc2ccc(Cl)cc21 c1cc(ccn1)C[*:1] O=C1N[C@@H](Nc2ccc(Cl)cc21)c1ccc(cc1)O[*:1]
O=C1N[C@H](c2ccc(OCc3ccncc3)cc2)Nc2ccc(Cl)cc21 c1cc(ccn1)[*:1] O=C1N[C@@H](Nc2ccc(Cl)cc21)c1ccc(cc1)OC[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N(CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N(CC1CC[NH2+]CC1)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N(CC1CC[NH2+]CC1)C1CC1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(C[*:1])N(CC1CC[NH2+]CC1)C1CC1
Cc1ccccc1[C@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 Cc1ccccc1[*:1] O=C(c1cnc(nc1)-c1cccnc1)N1CCC[C@@H](C1)[*:1]
Cc1ccccc1[C@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 c1cncc(c1)[*:1] Cc1ccccc1[C@H]1CCCN(C1)C(=O)c1cnc(nc1)[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)[nH+]c2)no1 Clc1cccc(c1)[*:1] CCc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)[nH+]c2)no1 CCc1nc(no1)[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CC[C@H](C)CN(CC)c1n[nH]c(=S)n1-c1ccccc1 CC[C@H](C)C[*:1] CCN(c1n[nH]c(=S)n1-c1ccccc1)[*:1]
CC[C@H](C)CN(CC)c1n[nH]c(=S)n1-c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)CN(CC)c1n[nH]c(=S)n1[*:1]
CC[C@H](C)CN(CC)c1n[nH]c(=S)n1-c1ccccc1 CC[C@H](C)[*:1] CCN(C[*:1])c1n[nH]c(=S)n1-c1ccccc1
CC[C@H](C)N1C(=O)C2(CCCC2)NC(=O)[C@]1(C)CC CC[C@H](C)[*:1] CC[C@@]1(C)C(=O)NC2(CCCC2)C(=O)N1[*:1]
Cc1noc([C@H]2CN(C(=O)N(C)C)CC23CCOCC3)n1 Cc1noc(n1)[*:1] CN(C)C(=O)N1C[C@@H](C2(CCOCC2)C1)[*:1]
Cc1c(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cc(CC2CCCCC2)n[nH]1
Cc1c(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)cnn1C(C)C C1CCC(CC1)[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1cc(C[*:1])n[nH]1
Cc1c(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)cnn1C(C)C C1CCC(CC1)C[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1cc(n[nH]1)[*:1]
CC(C)(O)CCc1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1 CC(C)(O)CC[*:1] c1cc(ccn1)C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(C)(O)CCc1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1 c1cc(ccn1)[*:1] CC(C)(O)CCc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CC(C)(O)CCc1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1 CC(C)(O)[*:1] c1cc(ccn1)C1CC[NH+](CC1)Cc1ccc(cc1)CC[*:1]
CC(C)(O)CCc1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1 CC(C)(O)C[*:1] c1cc(ccn1)C1CC[NH+](CC1)Cc1ccc(cc1)C[*:1]
CC(C)([NH2+]CCCn1cncn1)c1ccc(Cl)cc1 c1ncn(C[*:1])n1 CC(C)([NH2+]CC[*:1])c1ccc(Cl)cc1
CC(C)([NH2+]CCCn1cncn1)c1ccc(Cl)cc1 c1ncn(n1)[*:1] CC(C)([NH2+]CCC[*:1])c1ccc(Cl)cc1
CC(C)n1cnnc1CN[C@@H](C)Cc1nc2ccccc2s1 CC(C)[*:1] C[C@@H](Cc1nc2ccccc2s1)NCc1nncn1[*:1]
Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1cnn(C)c1C Cc1c(cnn1C)[*:1] Cc1[nH+]c(ccc1NC(=O)NC[*:1])N1CCOCC1
Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1cnn(C)c1C Cc1c(cnn1C)C[*:1] Cc1[nH+]c(ccc1NC(=O)N[*:1])N1CCOCC1
Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1cnn(C)c1C C1CN(CCO1)[*:1] Cc1[nH+]c(ccc1NC(=O)NCc1cnn(C)c1C)[*:1]
CC[C@@H]1CN(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)C[C@H](C)O1 c1ccc(cc1)C[*:1] CC[C@@H]1CN(C[C@H](C)O1)C(=O)N[C@@H](C)c1noc(n1)[*:1]
CC[C@@H]1CN(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)C[C@H](C)O1 c1ccc(cc1)[*:1] CC[C@@H]1CN(C[C@H](C)O1)C(=O)N[C@@H](C)c1noc(C[*:1])n1
C[C@@H](OC(=O)CCc1ccc2c(c1)OCO2)C(N)=O NC(=O)[*:1] C[C@@H](OC(=O)CCc1ccc2OCOc2c1)[*:1]
C[C@@H](OC(=O)CCc1ccc2c(c1)OCO2)C(N)=O C[C@@H](C(N)=O)[*:1] O=C(CCc1ccc2OCOc2c1)O[*:1]
Cc1cccc(N2N=C(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)CCC2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N1N=C(CCC1=O)C(=O)Nc1cccc(c1)NC(=O)N[*:1]
Cc1cccc(N2N=C(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)CCC2=O)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1)Nc1cccc(c1)NC(=O)C1CCC(=O)N(N=1)[*:1]
Cc1cccc(N2N=C(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)CCC2=O)c1 O=C(Nc1ccccc1)N[*:1] Cc1cccc(c1)N1N=C(CCC1=O)C(=O)Nc1cccc(c1)[*:1]
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(F)cc1 CC(C)(C)C[*:1] O=C(NCc1ccc(F)cc1)[C@@H]1CSCN1C(=O)[*:1]
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(F)cc1 CC(C)(C)[*:1] O=C(NCc1ccc(F)cc1)[C@@H]1CSCN1C(=O)C[*:1]
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NC[*:1]
Cc1ccc(Cn2c(=O)n(C[C@@H]3CCCO3)c(=O)c3ccccc32)cc1 Cc1ccc(cc1)C[*:1] O=c1c2ccccc2n(c(=O)n1C[C@@H]1CCCO1)[*:1]
Cc1ccc(Cn2c(=O)n(C[C@@H]3CCCO3)c(=O)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=c1c2ccccc2n(C[*:1])c(=O)n1C[C@@H]1CCCO1
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1CCO[C@H]1C CC(C)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)[*:1]
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1CCO[C@H]1C CC(C)[C@H](C)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CSC[C@@H]1C(=O)N[*:1]
CCN(CC(C)(C)O)S(=O)(=O)c1ccc(C#CCO)cc1 OCC#C[*:1] CCN(CC(C)(C)O)S(=O)(=O)c1ccc(cc1)[*:1]
CCN(CC(C)(C)O)S(=O)(=O)c1ccc(C#CCO)cc1 CC(C)(O)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(C#CCO)cc1
CCN(CC(C)(C)O)S(=O)(=O)c1ccc(C#CCO)cc1 CC(C)(O)C[*:1] CCN(S(=O)(=O)c1ccc(C#CCO)cc1)[*:1]
Cc1cccc(C[NH2+]C[C@H](C)C[C@@H](C)O)c1C C[C@@H](O)C[*:1] Cc1cccc(C[NH2+]C[C@H](C)[*:1])c1C
Cc1cccc(C[NH2+]C[C@H](C)C[C@@H](C)O)c1C C[C@@H](O)[*:1] Cc1cccc(C[NH2+]C[C@H](C)C[*:1])c1C
CCC(CC)[C@H](CNC(=O)N1CCC[C@H](O)C1)N1CCOCC1 C1CN(CCO1)[*:1] CCC(CC)[C@H](CNC(=O)N1CCC[C@H](O)C1)[*:1]
CCC(CC)[C@H](CNC(=O)N1CCC[C@H](O)C1)N1CCOCC1 CCC(CC)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])N1CCC[C@H](O)C1
Cc1noc(-c2ccc(C(=O)NCc3ccccc3OC(C)(C)C)cc2)n1 CC(C)(C)O[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NCc1ccccc1[*:1]
Cc1noc(-c2ccc(C(=O)NCc3ccccc3OC(C)(C)C)cc2)n1 CC(C)(C)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NCc1ccccc1O[*:1]
Cc1noc(-c2ccc(C(=O)NCc3ccccc3OC(C)(C)C)cc2)n1 Cc1noc(n1)[*:1] CC(C)(C)Oc1ccccc1CNC(=O)c1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc2c(c1)COC2 CC[C@H](C)[*:1] C[C@H](NC(=O)Nc1ccc2COCc2c1)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc2c(c1)COC2 CC[C@H](C)NC(=O)[*:1] C[C@H](NC(=O)Nc1ccc2COCc2c1)[*:1]
COCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COCC(=O)N[C@H](C)c1nc2ccccc2n1[*:1]
COCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCC(=O)N[C@H](C)c1nc2ccccc2n1C[*:1]
COCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(F)cc1 COC[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1Cc1ccc(F)cc1
COCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(F)cc1 COCC(=O)N[*:1] C[C@H](c1nc2ccccc2n1Cc1ccc(F)cc1)[*:1]
CC(C)([C@@H]([NH3+])Cc1cc(F)cc(Br)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)([C@@H]([NH3+])Cc1cc(F)cc(Br)c1)[*:1]
CC(C)[C@H](CCc1ccc2c(c1)CCO2)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H](CCc1ccc2OCCc2c1)[*:1]
CC(C)[C@H](CCc1ccc2c(c1)CCO2)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](CCc1ccc2OCCc2c1)[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(c2ccc(C#N)cc2)C2CC2)c1 N#Cc1ccc(cc1)[*:1] C[C@H]1C[C@H]1C(=O)Nc1cccc(c1)C(=O)N(C1CC1)[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N(c2ccc(C#N)cc2)C2CC2)c1 C1CC1[*:1] C[C@H]1C[C@H]1C(=O)Nc1cccc(c1)C(=O)N(c1ccc(C#N)cc1)[*:1]
O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1nc2ccccc2s1 Clc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)[*:1])Nc1nc2ccccc2s1
COc1ccc([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)cc1COc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1CO[*:1])[C@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C21
COc1ccc([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)cc1COc1ccc(C)cc1 Cc1ccc(cc1)O[*:1] COc1ccc(cc1C[*:1])[C@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C21
COc1ccc([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)cc1COc1ccc(C)cc1 Cc1ccc(cc1)OC[*:1] COc1ccc(cc1[*:1])[C@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C21
COc1ccccc1-n1ncc2c([O-])nc(-n3nc(C)cc3NC(=O)C3CCCC3)nc21 O=C(N[*:1])C1CCCC1 COc1ccccc1-n1ncc2c([O-])nc(nc21)-n1nc(C)cc1[*:1]
COc1ccccc1-n1ncc2c([O-])nc(-n3nc(C)cc3NC(=O)C3CCCC3)nc21 C1CCC(C1)[*:1] COc1ccccc1-n1ncc2c([O-])nc(nc21)-n1nc(C)cc1NC(=O)[*:1]
COc1ccccc1-n1ncc2c([O-])nc(-n3nc(C)cc3NC(=O)C3CCCC3)nc21 COc1ccccc1[*:1] Cc1cc(NC(=O)C2CCCC2)n(n1)-c1nc([O-])c2cnn(c2n1)[*:1]
[NH3+]CCN1C(=O)CC[C@H]2CN(C(=O)C3(c4ccccc4F)CC3)CC[C@H]21 Fc1ccccc1[*:1] [NH3+]CCN1C(=O)CC[C@H]2CN(CC[C@H]21)C(=O)C1(CC1)[*:1]
Cc1cc(NC(=O)NC(C)(C)c2ccc(Br)cc2)no1 Cc1cc(no1)[*:1] CC(C)(NC(=O)N[*:1])c1ccc(Br)cc1
OCC[C@H](CNCc1cc(F)ccc1Br)c1ccccc1 c1ccc(cc1)[*:1] OCC[C@H](CNCc1cc(F)ccc1Br)[*:1]
OCC[C@H](CNCc1cc(F)ccc1Br)c1ccccc1 OCC[*:1] Fc1ccc(Br)c(c1)CNC[C@H](c1ccccc1)[*:1]
O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H](OCc2cccnc2)C1 c1cncc(c1)C[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@@H](C1)O[*:1]
O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H](OCc2cccnc2)C1 c1cncc(c1)CO[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H](C1)[*:1]
O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H](OCc2cccnc2)C1 c1cncc(c1)[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@@H](C1)OC[*:1]
C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOC(C)(C)C1 CC1(C)CN(CCO1)[*:1] C[C@@H](C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
COCCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 COC[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccncc1
COCCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 COCCC(=O)N[*:1] C[C@@H](c1ccc(cc1)-c1ccncc1)[*:1]
COCCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] COCCC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
COCCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 COCC[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-c1ccncc1
CC(C)c1nc([C@@H]2CCCN2Cc2ccccc2C#N)no1 CC(C)[*:1] N#Cc1ccccc1CN1CCC[C@H]1c1noc(n1)[*:1]
COCCn1nc(C)c(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)N[C@@H]1CCc2cc(Cl)ccc21)[*:1]
COCCn1nc(C)c(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)N[C@@H]1CCc2cc(Cl)ccc21
O=C([O-])c1cccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 O=C1CCC(=O)N1[*:1] O=C([O-])c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
O=C([O-])c1cccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 O=C([O-])[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)N1C(=O)CCC1=O
CC(C)C(=O)NCCNC(=O)c1cc(Br)ccc1Cl CC(C)C(=O)N[*:1] O=C(NCC[*:1])c1cc(Br)ccc1Cl
CC(C)C(=O)NCCNC(=O)c1cc(Br)ccc1Cl CC(C)[*:1] O=C(NCCNC(=O)[*:1])c1cc(Br)ccc1Cl
CCCc1[nH+]ccn1[C@H]1CCC(C)(C)[C@@H]1[NH2+]C CCC[*:1] C[NH2+][C@@H]1[C@H](CCC1(C)C)n1cc[nH+]c1[*:1]
Fc1cccc(F)c1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 Fc1cccc(F)c1[*:1] FC(F)(F)c1cccc(c1)N1CCN(CC1)C[*:1]
Fc1cccc(F)c1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] Fc1cccc(F)c1CN1CCN(CC1)c1cccc(c1)[*:1]
CC(C)C[C@H](NC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2[nH]1 CC(C)C[*:1] O=C(N[C@H](c1nc2ccccc2[nH]1)[*:1])C1(CC1)c1ccccc1
CC(C)C[C@H](NC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(N[C@@H](C[*:1])c1nc2ccccc2[nH]1)C1(CC1)c1ccccc1
CC(C)C[C@H](NC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] CC(C)C[C@H](NC(=O)C1(CC1)[*:1])c1nc2ccccc2[nH]1
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(Cl)cc1)C2 CC(C)C[*:1] O=C(c1nn(c2CC[C@H](Cc12)[NH2+]CCc1ccc(Cl)cc1)[*:1])N1CCOCC1
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(Cl)cc1)C2 Clc1ccc(cc1)CC[*:1] CC(C)Cn1nc(C(=O)N2CCOCC2)c2C[C@@H](CCc21)[NH2+][*:1]
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(Cl)cc1)C2 Clc1ccc(cc1)C[*:1] CC(C)Cn1nc(C(=O)N2CCOCC2)c2C[C@@H](CCc21)[NH2+]C[*:1]
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(Cl)cc1)C2 O=C(N1CCOCC1)[*:1] CC(C)Cn1nc(c2C[C@@H](CCc21)[NH2+]CCc1ccc(Cl)cc1)[*:1]
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(Cl)cc1)C2 CC(C)[*:1] O=C(c1nn(C[*:1])c2CC[C@H](Cc12)[NH2+]CCc1ccc(Cl)cc1)N1CCOCC1
CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(Cl)cc1)C2 Clc1ccc(cc1)[*:1] CC(C)Cn1nc(C(=O)N2CCOCC2)c2C[C@@H](CCc21)[NH2+]CC[*:1]
C#CCOc1ccccc1CNC(=O)c1ccncc1Cl C#CCO[*:1] O=C(NCc1ccccc1[*:1])c1ccncc1Cl
C#CCOc1ccccc1CNC(=O)c1ccncc1Cl Clc1cnccc1[*:1] C#CCOc1ccccc1CNC(=O)[*:1]
C#CCOc1ccccc1CNC(=O)c1ccncc1Cl C#CC[*:1] O=C(NCc1ccccc1O[*:1])c1ccncc1Cl
CCO[C@H]1CCCN(C(=O)N[C@@H](c2cc(F)ccc2F)C2CC2)C1 Fc1ccc(F)c(c1)[*:1] CCO[C@H]1CCCN(C1)C(=O)N[C@@H](C1CC1)[*:1]
CCO[C@H]1CCCN(C(=O)N[C@@H](c2cc(F)ccc2F)C2CC2)C1 C1CC1[*:1] CCO[C@H]1CCCN(C1)C(=O)N[C@@H](c1cc(F)ccc1F)[*:1]
CCO[C@H]1CCCN(C(=O)N[C@@H](c2cc(F)ccc2F)C2CC2)C1 CCO[*:1] O=C(N[C@@H](c1cc(F)ccc1F)C1CC1)N1CCC[C@@H](C1)[*:1]
Cc1cccc(Nc2ncnc(NCCC(C)C)c2N)c1C CC(C)[*:1] Cc1cccc(Nc2ncnc(NCC[*:1])c2N)c1C
Cc1cccc(Nc2ncnc(NCCC(C)C)c2N)c1C CC(C)CC[*:1] Cc1cccc(Nc2ncnc(N[*:1])c2N)c1C
Cc1cccc(Nc2ncnc(NCCC(C)C)c2N)c1C CC(C)C[*:1] Cc1cccc(Nc2ncnc(NC[*:1])c2N)c1C
Cc1cccc(Nc2ncnc(NCCC(C)C)c2N)c1C CC(C)CCN[*:1] Cc1cccc(Nc2ncnc(c2N)[*:1])c1C
CC(C)(C)Oc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1 CC(C)(C)[*:1] O=C(c1ccc(cc1)O[*:1])N1CCN(CC1)C(=O)C1CCCC1
CC(C)(C)Oc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1 CC(C)(C)O[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)C(=O)C1CCCC1
CC(C)(C)Oc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1 C1CCC(C1)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[*:1]
CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1c3c(nn1C)CCCC3)CC2 CN(Cc1cscn1)C(=O)[*:1] Cn1nc2CCCCc2c1C(=O)N1CCc2c(C1)c(nn2CC1CC1)[*:1]
CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1c3c(nn1C)CCCC3)CC2 c1nc(cs1)C[*:1] CN(C(=O)c1nn(CC2CC2)c2CCN(Cc12)C(=O)c1c2CCCCc2nn1C)[*:1]
CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1c3c(nn1C)CCCC3)CC2 c1nc(cs1)[*:1] CN(C[*:1])C(=O)c1nn(CC2CC2)c2CCN(Cc12)C(=O)c1c2CCCCc2nn1C
CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1c3c(nn1C)CCCC3)CC2 Cn1nc2CCCCc2c1[*:1] CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2CCN(Cc12)C(=O)[*:1]
CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1c3c(nn1C)CCCC3)CC2 C1CC1[*:1] CN(Cc1cscn1)C(=O)c1nn(C[*:1])c2CCN(Cc12)C(=O)c1c2CCCCc2nn1C
CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1c3c(nn1C)CCCC3)CC2 C1CC1C[*:1] CN(Cc1cscn1)C(=O)c1nn(c2CCN(Cc12)C(=O)c1c2CCCCc2nn1C)[*:1]
C/C=C/CN(c1ncnc2oc(C)nc12)[C@H](C)CC CC[C@@H](C)[*:1] C/C=C/CN(c1ncnc2oc(C)nc12)[*:1]
C/C=C/CN(c1ncnc2oc(C)nc12)[C@H](C)CC CC=C[*:1] CC[C@@H](C)N(C[*:1])c1ncnc2oc(C)nc12
C/C=C/CN(c1ncnc2oc(C)nc12)[C@H](C)CC C/C=C/C[*:1] CC[C@@H](C)N(c1ncnc2oc(C)nc12)[*:1]
CC(C)Oc1cccc([C@@H](O)CNc2ccncc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)Oc1cccc(c1)[C@@H](O)CNc1ccncc1[*:1]
CC(C)Oc1cccc([C@@H](O)CNc2ccncc2[N+](=O)[O-])c1 CC(C)[*:1] O=[N+]([O-])c1cnccc1NC[C@H](O)c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@@H](O)CNc2ccncc2[N+](=O)[O-])c1 CC(C)O[*:1] O=[N+]([O-])c1cnccc1NC[C@H](O)c1cccc(c1)[*:1]
Fc1c(F)c(F)c(CSc2cn[nH]n2)c(F)c1F c1n[nH]nc1[*:1] Fc1c(F)c(F)c(CS[*:1])c(F)c1F
Fc1c(F)c(F)c(CSc2cn[nH]n2)c(F)c1F c1n[nH]nc1S[*:1] Fc1c(F)c(F)c(C[*:1])c(F)c1F
COc1cccn(Cc2noc(C3CCCC3)n2)c1=O C1CCC(C1)[*:1] COc1cccn(Cc2noc(n2)[*:1])c1=O
COc1ccccc1CN(CCO)C(=O)N[C@H]1CCC[C@@H](C2CC2)C1 COc1ccccc1[*:1] O=C(N[C@H]1CCC[C@H](C1)C1CC1)N(CCO)C[*:1]
COc1ccccc1CN(CCO)C(=O)N[C@H]1CCC[C@@H](C2CC2)C1 C1CC1[*:1] COc1ccccc1CN(CCO)C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
COc1ccccc1CN(CCO)C(=O)N[C@H]1CCC[C@@H](C2CC2)C1 OCC[*:1] COc1ccccc1CN(C(=O)N[C@H]1CCC[C@H](C1)C1CC1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc1F FC(F)(F)C[*:1] Cc1ccc(cc1F)NC(=O)C(=O)N[C@@H]1CCN(C1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc1F Cc1ccc(cc1F)[*:1] O=C(N[C@@H]1CCN(C1)CC(F)(F)F)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc1F FC(F)(F)[*:1] Cc1ccc(cc1F)NC(=O)C(=O)N[C@@H]1CCN(C1)C[*:1]
CCc1cc(CNC(=O)Cc2csc(-c3ccc(C)cc3)n2)on1 Cc1ccc(cc1)[*:1] CCc1cc(CNC(=O)Cc2csc(n2)[*:1])on1
CCc1cc(CNC(=O)Cc2csc(-c3ccc(C)cc3)n2)on1 CCc1cc(C[*:1])on1 Cc1ccc(cc1)-c1nc(cs1)CC(=O)N[*:1]
CCc1cc(CNC(=O)Cc2csc(-c3ccc(C)cc3)n2)on1 CCc1cc(on1)[*:1] Cc1ccc(cc1)-c1nc(cs1)CC(=O)NC[*:1]
N#CC1=C2SCN(CCc3ccccc3)CN2C(=O)C[C@H]1c1ccc(F)cc1 c1ccc(cc1)CC[*:1] N#CC1=C2SCN(CN2C(=O)C[C@H]1c1ccc(F)cc1)[*:1]
N#CC1=C2SCN(CCc3ccccc3)CN2C(=O)C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CC1=C2SCN(CCc3ccccc3)CN2C(=O)C[C@@H]1[*:1]
N#CC1=C2SCN(CCc3ccccc3)CN2C(=O)C[C@H]1c1ccc(F)cc1 c1ccc(cc1)[*:1] N#CC1=C2SCN(CC[*:1])CN2C(=O)C[C@H]1c1ccc(F)cc1
N#CC1=C2SCN(CCc3ccccc3)CN2C(=O)C[C@H]1c1ccc(F)cc1 c1ccc(cc1)C[*:1] N#CC1=C2SCN(CN2C(=O)C[C@H]1c1ccc(F)cc1)C[*:1]
COc1ccc2c(c1)N(C(=O)Cc1ccccc1Br)CCO2 Brc1ccccc1[*:1] COc1ccc2OCCN(C(=O)C[*:1])c2c1
Cc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccccc1N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
Cc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 Cc1ccccc1[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)N1CCN(CC1)[*:1]
COC(=O)C[C@@H]1CCCCN1C(=O)/C=C/c1c(Cl)cccc1Cl COC(=O)[*:1] O=C(/C=C/c1c(Cl)cccc1Cl)N1CCCC[C@H]1C[*:1]
COC(=O)C[C@@H]1CCCCN1C(=O)/C=C/c1c(Cl)cccc1Cl COC(=O)C[*:1] O=C(/C=C/c1c(Cl)cccc1Cl)N1CCCC[C@H]1[*:1]
Cc1cccc(N2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4cc(NC(=O)C(C)C)ccc34)CC2)c1C Cc1cccc(c1C)[*:1] CC(C)C(=O)Nc1ccc2c(c[nH]c2c1)[C@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
Cc1cccc(N2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4cc(NC(=O)C(C)C)ccc34)CC2)c1C CC(C)[*:1] Cc1cccc(c1C)N1CC[NH+](CC1)[C@@H](C(=O)[O-])c1c[nH]c2cc(ccc12)NC(=O)[*:1]
Cc1cccc(N2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4cc(NC(=O)C(C)C)ccc34)CC2)c1C CC(C)C(=O)N[*:1] Cc1cccc(c1C)N1CC[NH+](CC1)[C@@H](C(=O)[O-])c1c[nH]c2cc(ccc12)[*:1]
O=C1CC[C@H](C(=O)N(CC(F)(F)F)C2CCOCC2)N1 O=C1CC[C@H](N1)[*:1] O=C(N(CC(F)(F)F)C1CCOCC1)[*:1]
O=C1CC[C@H](C(=O)N(CC(F)(F)F)C2CCOCC2)N1 FC(F)(F)C[*:1] O=C1CC[C@@H](N1)C(=O)N(C1CCOCC1)[*:1]
O=C1CC[C@H](C(=O)N(CC(F)(F)F)C2CCOCC2)N1 FC(F)(F)[*:1] O=C1CC[C@@H](N1)C(=O)N(C[*:1])C1CCOCC1
O=C1CC[C@H](C(=O)N(CC(F)(F)F)C2CCOCC2)N1 C1CC(CCO1)[*:1] O=C1CC[C@@H](N1)C(=O)N(CC(F)(F)F)[*:1]
O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccccc1F)C(=O)N[*:1]
O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)C(=O)NC1CCCCCC1 Fc1ccccc1[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])C(=O)NC1CCCCCC1
COC(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@H]2C)cc1 COC(=O)[*:1] C[C@H]1CCN(C(=O)c2ccc(cc2)[*:1])[C@H](C)C1
Cc1ccc(/C=C/S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)C=C[*:1])c1ccc2OCCCOc2c1
Fc1ccc(F)c([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2CCCn2cccn2)c1 Fc1ccc(F)c(c1)[*:1] c1ccc2=C3CCN(CCCn4cccn4)[C@@H]([C@H]3[NH+]=c2c1)[*:1]
Fc1ccc(F)c([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2CCCn2cccn2)c1 c1cnn(c1)CC[*:1] Fc1ccc(F)c(c1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C[*:1]
Fc1ccc(F)c([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2CCCn2cccn2)c1 c1cnn(c1)C[*:1] Fc1ccc(F)c(c1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1CC[*:1]
Fc1ccc(F)c([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2CCCn2cccn2)c1 c1cnn(c1)CCC[*:1] Fc1ccc(F)c(c1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1[*:1]
Fc1ccc(F)c([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2CCCn2cccn2)c1 c1cnn(c1)[*:1] Fc1ccc(F)c(c1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1CCC[*:1]
CN(Cc1cccc(Cl)c1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O Clc1cccc(c1)C[*:1] CN(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O
CC(=O)Oc1cccc2c1C[C@@H](O)[C@@H](O)C2 CC(=O)O[*:1] O[C@H]1Cc2cccc(c2C[C@H]1O)[*:1]
CCS(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)Nc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)O[C@H](C)C(=O)N[*:1]
CNC(=O)NCC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl CNC(=O)N[*:1] C[C@H](NC(=O)C[*:1])c1c(Cl)ccc(F)c1Cl
CNC(=O)NCC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl CNC(=O)NC[*:1] C[C@H](NC(=O)[*:1])c1c(Cl)ccc(F)c1Cl
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1oc(C)nc1C Clc1ccc(cc1)[*:1] CO[C@H]([C@@H](C)NC(=O)c1oc(C)nc1C)[*:1]
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1oc(C)nc1C Cc1nc(C)c(o1)[*:1] CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[*:1]
Cc1c(NC(=O)C2(c3cc(-c4ccc5c(c4)OCO5)on3)CC2)c(=O)n(-c2ccccc2)n1C c1cc2OCOc2cc1[*:1] Cc1c(NC(=O)C2(CC2)c2cc(on2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)C2(c3cc(-c4ccc5c(c4)OCO5)on3)CC2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)C2(CC2)c2cc(on2)-c2ccc3OCOc3c2)c(=O)n(n1C)[*:1]
C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2ccc(Br)cc2F)C1=O Fc1cc(Br)ccc1C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc2OCCCOc2c1
C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2ccc(Br)cc2F)C1=O Fc1cc(Br)ccc1[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc2OCCCOc2c1
Cc1cc(F)cc(NC(=O)CCC(=O)[O-])c1 O=C([O-])C[*:1] Cc1cc(F)cc(c1)NC(=O)C[*:1]
Cc1cc(F)cc(NC(=O)CCC(=O)[O-])c1 O=C([O-])CC[*:1] Cc1cc(F)cc(c1)NC(=O)[*:1]
Cc1cc(F)cc(NC(=O)CCC(=O)[O-])c1 O=C([O-])[*:1] Cc1cc(F)cc(c1)NC(=O)CC[*:1]
CC(C)(C)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccs1 CC(C)(C)[*:1] CS(=O)(=O)Nc1cccc(c1)C1C[C@@H](c2cccs2)N(N=1)C(=O)[*:1]
CC(C)(C)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccs1 CS(=O)(=O)N[*:1] CC(C)(C)C(=O)N1N=C(C[C@H]1c1cccs1)c1cccc(c1)[*:1]
CC(C)(C)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccs1 c1csc(c1)[*:1] CC(C)(C)C(=O)N1N=C(C[C@@H]1[*:1])c1cccc(c1)NS(C)(=O)=O
Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)c(C)c1Cl CC(C)OC(=O)[*:1] Cc1nn(Cc2ccc(o2)C(=O)Nc2ccc(cc2)[*:1])c(C)c1Cl
Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] CC(C)OC(=O)c1ccc(cc1)NC(=O)c1ccc(C[*:1])o1
Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)c(C)c1Cl Cc1nn(C[*:1])c(C)c1Cl CC(C)OC(=O)c1ccc(cc1)NC(=O)c1ccc(o1)[*:1]
Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)c(C)c1Cl CC(C)[*:1] Cc1nn(Cc2ccc(o2)C(=O)Nc2ccc(cc2)C(=O)O[*:1])c(C)c1Cl
C[C@H](O)c1ccccc1N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](O)c1ccccc1N(C)CC[*:1]
C[C@H](O)c1ccccc1N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@H](O)c1ccccc1N(C)C[*:1]
C[C@H](O)c1ccccc1N(C)CCS(C)(=O)=O C[C@H](O)[*:1] CN(CCS(C)(=O)=O)c1ccccc1[*:1]
CCC1(CNC(=O)CCc2nc(-c3ncccn3)no2)CCC1 CCC1(CCC1)C[*:1] O=C(CCc1nc(no1)-c1ncccn1)N[*:1]
CCC1(CNC(=O)CCc2nc(-c3ncccn3)no2)CCC1 CCC1(CCC1)[*:1] O=C(CCc1nc(no1)-c1ncccn1)NC[*:1]
CCC1(CNC(=O)CCc2nc(-c3ncccn3)no2)CCC1 c1cnc(nc1)[*:1] CCC1(CCC1)CNC(=O)CCc1nc(no1)[*:1]
COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 COc1ccc(cc1)[*:1] CC(=N/N=C1\NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)S1)[*:1]
COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)/C(C)=N/N=C1\NC(=O)[C@@H](Cc2cccc(c2)[*:1])S1
CCN(C[C@H]1COc2ccccc2O1)C(=O)CNc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCN(C[C@H]1COc2ccccc2O1)C(=O)CN[*:1]
CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](C)C2CC2)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)[C@@H](C)[*:1]
CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](C)C2CC2)cc1 C[C@@H](C1CC1)[*:1] CC(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)[*:1]
CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](C)C2CC2)cc1 CC(C)[*:1] C[C@H](C(=O)N1CCC[C@H]1c1ccc(cc1)[*:1])C1CC1
NC(=O)[C@H]1COCCN1CCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H]1COCCN1CCS(=O)(=O)[*:1]
NC(=O)[C@H]1COCCN1CCS(=O)(=O)c1ccccc1 NC(=O)[*:1] O=S(=O)(CCN1CCOC[C@@H]1[*:1])c1ccccc1
C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F Clc1ccc(cc1)[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F Fc1ccc(c(F)c1F)[*:1] C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)NCC(=O)N[*:1]
CCc1nn(C)cc1NC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] CCc1nn(C)cc1NC(=O)N1CCN(CC1)[*:1]
CCc1nn(C)cc1NC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CCc1nn(C)cc1NC(=O)N1CCN(CC1)C[*:1]
CCc1nn(C)cc1NC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 CCc1nn(C)cc1[*:1] O=C(N[*:1])N1CCN(CC1)Cc1cccc(Cl)c1
CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 CCC[*:1] O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 CCCC(=O)N[*:1] O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(cc1)[*:1]
CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)CCCn1ccnn1 c1ccc(cc1)[*:1] CC1(C)CS/C(=N/C[*:1])N1C(=O)CCCn1ccnn1
CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)CCCn1ccnn1 c1cn(CCC[*:1])nn1 CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)[*:1]
CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)CC[*:1]
CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)CCCn1ccnn1 c1cn(nn1)[*:1] CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)CCC[*:1]
CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)CCCn1ccnn1 c1ccc(cc1)C[*:1] CC1(C)CSC(=N[*:1])N1C(=O)CCCn1ccnn1
CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)CCCn1ccnn1 c1cn(CC[*:1])nn1 CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)C[*:1]
CNC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C)C3 CNC(=O)CS[*:1] C[C@H]1CCc2c(C1)sc1nc(nc(c21)[*:1])C1CC1
CNC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C)C3 CNC(=O)[*:1] C[C@H]1CCc2c(C1)sc1nc(nc(SC[*:1])c21)C1CC1
CNC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C)C3 CNC(=O)C[*:1] C[C@H]1CCc2c(C1)sc1nc(nc(S[*:1])c21)C1CC1
CNC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C)C3 C1CC1[*:1] CNC(=O)CSc1nc(nc2sc3C[C@@H](C)CCc3c12)[*:1]
COC(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CCO[C@@]2(CCOC2)C1
COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)CO[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(F)cc2F)c1 Fc1ccc(O[*:1])c(F)c1 COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)C[*:1]
CCOc1cc2c(cc1CNC(=O)CCc1ccc(F)cc1)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)CNC(=O)CCc1ccc(F)cc1)[*:1]
CCOc1cc2c(cc1CNC(=O)CCc1ccc(F)cc1)O[C@@H](C)C2 Fc1ccc(cc1)C[*:1] CCOc1cc2C[C@H](C)Oc2cc1CNC(=O)C[*:1]
CCOc1cc2c(cc1CNC(=O)CCc1ccc(F)cc1)O[C@@H](C)C2 Fc1ccc(cc1)[*:1] CCOc1cc2C[C@H](C)Oc2cc1CNC(=O)CC[*:1]
CS(=O)(=O)c1ccc2nc(N(CC[NH+]3CCOCC3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 CS(=O)(=O)[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N(CC[NH+]1CCOCC1)c1nc2ccc(cc2s1)[*:1]
CS(=O)(=O)c1ccc2nc(N(CC[NH+]3CCOCC3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 O=[N+]([O-])c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(CC[NH+]1CCOCC1)C(=O)[*:1]
CS(=O)(=O)c1ccc2nc(N(CC[NH+]3CCOCC3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(CC[NH+]1CCOCC1)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(C)c(OC(=O)CCCNC(=O)C(C)(C)C)c1 CC(C)(C)C(=O)N[*:1] Cc1ccc(C)c(c1)OC(=O)CCC[*:1]
Cc1ccc(C)c(OC(=O)CCCNC(=O)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(C)c(c1)OC(=O)CCCNC(=O)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)Nc1cccc(c1)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)N[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1cccc(c1)[N+](=O)[O-]
CC(C)[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1nc(-c2nc[nH]n2)no1 c1nc(n[nH]1)[*:1] CC(C)[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1nc(no1)[*:1]
CC(C)[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1nc(-c2nc[nH]n2)no1 CC(C)[*:1] Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](c1nc(no1)-c1nc[nH]n1)[*:1]
Cn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccccc1Cl N#Cc1cccc(c1)[*:1] Cn1c(nnc1-c1ccccc1Cl)SCC(=O)N[*:1]
Cn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccccc1Cl Clc1ccccc1[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1cccc(C#N)c1
CC(C)C[C@H](C)CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 CC(C)[*:1] C[C@H](CC(=O)N1CCC(CC1)n1c(=O)[nH]c2ccccc21)C[*:1]
CC(C)C[C@H](C)CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 CC(C)C[*:1] C[C@H](CC(=O)N1CCC(CC1)n1c(=O)[nH]c2ccccc21)[*:1]
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)cc2)n1 CC(C)(C)[*:1] Cc1ccnc(n1)[N-]S(=O)(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1cccc(S(=O)(=O)NCC2CCN(C(=O)c3cnccn3)CC2)c1 c1cnc(cn1)[*:1] Cc1cccc(c1)S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
Cc1cccc(S(=O)(=O)NCC2CCN(C(=O)c3cnccn3)CC2)c1 Cc1cccc(c1)[*:1] O=C(c1cnccn1)N1CCC(CC1)CNS(=O)(=O)[*:1]
COCc1ccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 COC[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1ccc(cc1)[*:1]
Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)c2)no1 Fc1ccc(cc1)[*:1] Cc1nc(no1)-c1ccc(C)c(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)c2)no1 O=C(Nc1ccc(F)cc1)[*:1] Cc1nc(no1)-c1ccc(C)c(c1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)c2)no1 Cc1nc(no1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(F)cc1)[*:1]
CCCN1C(=O)/C(=c2\sc3nc(-c4cccs4)nn3c2=O)c2ccccc21 CCC[*:1] O=C1/C(c2ccccc2N1[*:1])=c1\sc2nc(nn2c1=O)-c1cccs1
CCCN1C(=O)/C(=c2\sc3nc(-c4cccs4)nn3c2=O)c2ccccc21 c1csc(c1)[*:1] CCCN1C(=O)/C(c2ccccc21)=c1\sc2nc(nn2c1=O)[*:1]
O=C(c1cnc(-c2ccoc2)s1)N1CCOc2ncccc21 c1cc(co1)[*:1] O=C(c1cnc(s1)[*:1])N1CCOc2ncccc21
CSCCn1cnc(-c2cccc([N+](=O)[O-])c2)n1 CSC[*:1] O=[N+]([O-])c1cccc(c1)-c1ncn(C[*:1])n1
CSCCn1cnc(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] CSCCn1cnc(n1)-c1cccc(c1)[*:1]
CSCCn1cnc(-c2cccc([N+](=O)[O-])c2)n1 CSCC[*:1] O=[N+]([O-])c1cccc(c1)-c1ncn(n1)[*:1]
Cc1cccc(CCNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 Brc1ccc(cc1)[*:1] Cc1cccc(c1)CCNC(=O)c1cnn(c1C)[*:1]
Cc1cccc(CCNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 Cc1cccc(c1)C[*:1] Cc1c(cnn1-c1ccc(Br)cc1)C(=O)NC[*:1]
Cc1cccc(CCNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 Cc1cccc(c1)[*:1] Cc1c(cnn1-c1ccc(Br)cc1)C(=O)NCC[*:1]
COc1ccc(-n2c([O-])nc3nc(N4CCC([NH+]5CCCCC5)CC4)ncc3c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c2cnc(nc2nc([O-])n1[*:1])N1CCC(CC1)[NH+]1CCCCC1
NS(=O)(=O)NCCCOC1CCCCC1 NS(=O)(=O)N[*:1] C1CCC(CC1)OCCC[*:1]
CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 CC(=O)[*:1] O[C@H](COc1ccc(cc1)[*:1])CN1CCN(CC1)c1ccccc1
CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)OC[C@@H](O)CN1CCN(CC1)[*:1]
Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(CC(N)=S)cc1 NC(=S)C[*:1] Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(cc1)[*:1]
Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(CC(N)=S)cc1 NC(=S)[*:1] Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(cc1)C[*:1]
CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(=O)n(C)c(=O)n1C CC(C)[*:1] Cn1cc(cn1)CN(C[*:1])C(=O)c1cc(=O)n(C)c(=O)n1C
CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(=O)n(C)c(=O)n1C CC(C)C[*:1] Cn1cc(cn1)CN(C(=O)c1cc(=O)n(C)c(=O)n1C)[*:1]
CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(=O)n(C)c(=O)n1C Cn1cc(cn1)C[*:1] CC(C)CN(C(=O)c1cc(=O)n(C)c(=O)n1C)[*:1]
CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(=O)n(C)c(=O)n1C Cn1cc(cn1)[*:1] CC(C)CN(C[*:1])C(=O)c1cc(=O)n(C)c(=O)n1C
COc1ccc(CNC(=O)C2(c3cc(-c4cccs4)on3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])C1(CC1)c1cc(on1)-c1cccs1
COc1ccc(CNC(=O)C2(c3cc(-c4cccs4)on3)CC2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CNC(=O)C1(CC1)c1cc(on1)[*:1]
O=C(CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)N1CCC[C@@H]2CCCC[C@@H]21 O=S(=O)(N1CCCCC1)[*:1] O=C(CSc1nc2cc(ccc2o1)[*:1])N1CCC[C@@H]2CCCC[C@@H]21
C[C@@H](C1CC1)N(C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C1CC1 C1C[C@@H](CO1)O[*:1] C[C@@H](C1CC1)N(C(=O)Nc1ccc(cc1)[*:1])C1CC1
C[C@@H](C1CC1)N(C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C1CC1 C1C[C@@H](CO1)[*:1] C[C@@H](C1CC1)N(C(=O)Nc1ccc(cc1)O[*:1])C1CC1
C[C@@H](C1CC1)N(C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)Nc1ccc(cc1)O[C@H]1CCOC1)[*:1]
C[C@@H](C1CC1)N(C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)Nc1ccc(cc1)O[C@H]1CCOC1)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C1CC1 C[C@@H](C1CC1)[*:1] O=C(Nc1ccc(cc1)O[C@H]1CCOC1)N(C1CC1)[*:1]
CCSc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@@]2(C)CO)cc1 CCS[*:1] C[C@H](NC(=O)N[C@@H]1CCC[C@@]1(C)CO)c1ccc(cc1)[*:1]
CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O Cc1ccc(cc1)[*:1] CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(C1=O)[*:1]
CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O CC(=O)N[*:1] Cc1ccc(cc1)N1CC[C@H](NC(=O)N(C)CCC[*:1])C1=O
CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O CC(=O)NC[*:1] Cc1ccc(cc1)N1CC[C@H](NC(=O)N(C)CC[*:1])C1=O
CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O CC(=O)NCC[*:1] Cc1ccc(cc1)N1CC[C@H](NC(=O)N(C)C[*:1])C1=O
CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O CC(=O)NCCC[*:1] Cc1ccc(cc1)N1CC[C@H](NC(=O)N(C)[*:1])C1=O
CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cc(C)ccc2C)cc1 CNC(=O)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N(Cc1ccc(cc1)[*:1])Cc1ccco1
CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cc(C)ccc2C)cc1 c1coc(c1)[*:1] CNC(=O)c1ccc(cc1)CN(C[*:1])S(=O)(=O)c1cc(C)ccc1C
CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cc(C)ccc2C)cc1 Cc1ccc(C)c(c1)[*:1] CNC(=O)c1ccc(cc1)CN(Cc1ccco1)S(=O)(=O)[*:1]
CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cc(C)ccc2C)cc1 c1coc(c1)C[*:1] CNC(=O)c1ccc(cc1)CN(S(=O)(=O)c1cc(C)ccc1C)[*:1]
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ncccc1OCC(F)(F)F FC(F)(F)CO[*:1] O=C(N[C@@H]1CCN(C1)c1ccccc1)c1ncccc1[*:1]
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ncccc1OCC(F)(F)F FC(F)(F)C[*:1] O=C(N[C@@H]1CCN(C1)c1ccccc1)c1ncccc1O[*:1]
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ncccc1OCC(F)(F)F c1ccc(cc1)[*:1] O=C(N[C@@H]1CCN(C1)[*:1])c1ncccc1OCC(F)(F)F
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1ncccc1OCC(F)(F)F FC(F)(F)[*:1] O=C(N[C@@H]1CCN(C1)c1ccccc1)c1ncccc1OC[*:1]
O=c1ccc(-c2ccc(S(=O)(=O)NCCC3=CCCCC3)o2)n[nH]1 O=c1ccc(n[nH]1)[*:1] O=S(=O)(NCCC1=CCCCC1)c1ccc(o1)[*:1]
O=C(NCCCC[NH+]1CCCC1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(NCCCC[NH+]1CCCC1)N[*:1]
O=C(NCCCC[NH+]1CCCC1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NCCCC[NH+]1CCCC1)NC[*:1]
CC(=O)Nc1nc(CC(=O)Nc2nc3c(C)cccc3s2)cs1 CC(=O)N[*:1] Cc1cccc2sc(nc12)NC(=O)Cc1csc(n1)[*:1]
Cc1nccn1-c1ccc([C@@H](C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 Cc1nccn1[*:1] C[C@@H](NC(=O)C1CCN(CC1)S(C)(=O)=O)c1ccc(cc1)[*:1]
N#Cc1ccccc1CSCCNC(=O)c1cc(Cl)c2c(c1)OCCO2 N#Cc1ccccc1[*:1] O=C(NCCSC[*:1])c1cc(Cl)c2OCCOc2c1
Cc1ccc(OCCC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CCO[*:1]
Cc1ccc(OCCC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)OCCC(=O)N1C[C@H](O)C[C@H]1[*:1]
Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)sc1C Cc1cc(sc1C)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1cccc(C2SCCS2)c1)c1ccccc1O Oc1ccccc1[*:1] O=C(Nc1cccc(c1)C1SCCS1)[*:1]
O=C(Nc1cccc(C2SCCS2)c1)c1ccccc1O C1CSC(S1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1O
Cc1ccc([S@@](=O)[C@H](C)C(=O)Nc2cc(C)on2)nc1 Cc1cc(no1)[*:1] Cc1ccc(nc1)[S@@](=O)[C@H](C)C(=O)N[*:1]
Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2Cc2ccc3ncccc3c2)[nH+]1 c1cnc(cn1)[*:1] Cc1cc(cc([nH+]1)[C@H]1CCCN1Cc1ccc2ncccc2c1)N[*:1]
Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2Cc2ccc3ncccc3c2)[nH+]1 c1cnc2ccc(cc2c1)[*:1] Cc1cc(cc([nH+]1)[C@H]1CCCN1C[*:1])Nc1cnccn1
Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2Cc2ccc3ncccc3c2)[nH+]1 c1cnc(cn1)N[*:1] Cc1cc(cc([nH+]1)[C@H]1CCCN1Cc1ccc2ncccc2c1)[*:1]
CCCSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 CCCS[*:1] O=C1C[C@H](C(=O)Nc2cccc(c2)C(F)(F)F)c2c(nc([nH]c2=O)[*:1])N1
CCCSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 FC(F)(F)[*:1] CCCSc1nc2NC(=O)C[C@H](C(=O)Nc3cccc(c3)[*:1])c2c(=O)[nH]1
CCCSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 CCC[*:1] O=C1C[C@H](C(=O)Nc2cccc(c2)C(F)(F)F)c2c(nc([nH]c2=O)S[*:1])N1
Cc1nc2cc(NC(=O)[C@H]3CCN(c4ccc(C)c(C)c4)C3=O)ccc2o1 Cc1ccc(cc1C)[*:1] Cc1nc2cc(ccc2o1)NC(=O)[C@H]1CCN(C1=O)[*:1]
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1cccc(N2CCCC2=O)c1 Clc1cccc(c1)[*:1] O=C(N[C@H]1CCN(C1)[*:1])c1cccc(c1)N1CCCC1=O
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(N[C@H]1CCN(C1)c1cccc(Cl)c1)c1cccc(c1)[*:1]
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 C=CC[*:1] O=C(N/N=C/c1ccc(cc1)O[*:1])C(=O)Nc1ccccc1
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 C=CCO[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])C(=O)Nc1ccccc1
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] C=CCOc1ccc(/C=N/NC(=O)C(=O)N[*:1])cc1
Cc1[nH]ncc1CCCNC(=O)CCn1cc(Br)ccc1=O Cc1[nH]ncc1C[*:1] O=C(CCn1cc(Br)ccc1=O)NCC[*:1]
Cc1[nH]ncc1CCCNC(=O)CCn1cc(Br)ccc1=O Cc1[nH]ncc1[*:1] O=C(CCn1cc(Br)ccc1=O)NCCC[*:1]
Cc1cccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] Cc1cccc(c1)NC(=O)[C@H]1C[C@@H]1[*:1]
O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)[*:1]
COC[C@H](O)CNc1nc(C)c(CC(C)C)c(C)n1 CC(C)[*:1] COC[C@H](O)CNc1nc(C)c(C[*:1])c(C)n1
COC[C@H](O)CNc1nc(C)c(CC(C)C)c(C)n1 CC(C)C[*:1] COC[C@H](O)CNc1nc(C)c(c(C)n1)[*:1]
COC[C@H](O)CNc1nc(C)c(CC(C)C)c(C)n1 COC[*:1] Cc1nc(nc(C)c1CC(C)C)NC[C@@H](O)[*:1]
COC[C@H](O)CNc1nc(C)c(CC(C)C)c(C)n1 COC[C@H](O)[*:1] Cc1nc(nc(C)c1CC(C)C)NC[*:1]
COC[C@H](O)CNc1nc(C)c(CC(C)C)c(C)n1 COC[C@H](O)C[*:1] Cc1nc(nc(C)c1CC(C)C)N[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[*:1]
COc1ccc(C(=O)Nc2oc3cc(OC)ccc3c(=O)c2C(=O)Nc2ccccc2)cc1 COc1ccc(cc1)C(=O)N[*:1] COc1ccc2c(=O)c(C(=O)Nc3ccccc3)c(oc2c1)[*:1]
COc1ccc(C(=O)Nc2oc3cc(OC)ccc3c(=O)c2C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1oc2cc(ccc2c(=O)c1C(=O)N[*:1])OC
COc1ccc(C(=O)Nc2oc3cc(OC)ccc3c(=O)c2C(=O)Nc2ccccc2)cc1 COc1ccc(cc1)[*:1] COc1ccc2c(=O)c(C(=O)Nc3ccccc3)c(NC(=O)[*:1])oc2c1
COc1ccc(C(=O)Nc2oc3cc(OC)ccc3c(=O)c2C(=O)Nc2ccccc2)cc1 O=C(Nc1ccccc1)[*:1] COc1ccc(cc1)C(=O)Nc1oc2cc(ccc2c(=O)c1[*:1])OC
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)C1 O=C1CCCCN1[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCC(COc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)COc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCC(COc2ccc(C(F)(F)F)cc2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)COc1ccc(cc1)C(F)(F)F
O=C(Cc1ccccc1CNC(=O)c1cc2c(ccc3ncccc32)s1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cc1ccccc1CNC(=O)c1cc2c(ccc3ncccc32)s1)N[*:1]
O=C(Cc1ccccc1CNC(=O)c1cc2c(ccc3ncccc32)s1)NC1CCCC1 O=C(C[*:1])NC1CCCC1 O=C(NCc1ccccc1[*:1])c1cc2c(ccc3ncccc32)s1
O=C(Cc1ccccc1CNC(=O)c1cc2c(ccc3ncccc32)s1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C(NCc1ccccc1C[*:1])c1cc2c(ccc3ncccc32)s1
Cc1nccn1-c1cncc(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 Cc1nccn1[*:1] C[C@H]1C[C@H](C)C[NH+](CCCCNc2cncc(n2)[*:1])C1
CCOC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CCOC(=O)N/N=C/c1ccc(cc1)O[*:1]
CCOC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CCOC(=O)N/N=C/c1ccc(cc1)[*:1]
COC(=O)/C=C/N(C)[C@H]1CCC[C@@H](C)C1 COC(=O)[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C=C[*:1]
CC[C@](C)([C@@H](O)C1CCCC1)[NH+]1CCCC1 C1CCC(C1)[*:1] CC[C@](C)([C@@H](O)[*:1])[NH+]1CCCC1
CC(C)[NH+](Cc1nnc(-c2cccc(Br)c2)o1)C1CCCC1 C1CCC(C1)[*:1] CC(C)[NH+](Cc1nnc(o1)-c1cccc(Br)c1)[*:1]
CC(C)[NH+](Cc1nnc(-c2cccc(Br)c2)o1)C1CCCC1 Brc1cccc(c1)[*:1] CC(C)[NH+](Cc1nnc(o1)[*:1])C1CCCC1
CC(C)[NH+](Cc1nnc(-c2cccc(Br)c2)o1)C1CCCC1 CC(C)[*:1] Brc1cccc(c1)-c1nnc(C[NH+](C2CCCC2)[*:1])o1
CC(=O)/C=C(/NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 O=[N+]([O-])[*:1] CC(=O)/C=C(/NNC(=O)c1cccc(c1)[*:1])c1ccccc1
CC(=O)/C=C(/NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 CC(=O)[*:1] O=C(NNC(=C[*:1])c1ccccc1)c1cccc(c1)[N+](=O)[O-]
CC(=O)/C=C(/NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)/C=C(/NNC(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
COc1ccccc1OCC(=O)Nc1ccccc1C(=O)N1[C@@H](C)CCC[C@H]1C COc1ccccc1[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NC(=O)CO[*:1]
COc1ccccc1OCC(=O)Nc1ccccc1C(=O)N1[C@@H](C)CCC[C@H]1C COc1ccccc1O[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NC(=O)C[*:1]
O=C(CC[C@@H]1CCCO1)Nc1ccccc1COc1ccccc1 c1ccc(cc1)O[*:1] O=C(CC[C@@H]1CCCO1)Nc1ccccc1C[*:1]
O=C(CC[C@@H]1CCCO1)Nc1ccccc1COc1ccccc1 c1ccc(cc1)[*:1] O=C(CC[C@@H]1CCCO1)Nc1ccccc1CO[*:1]
O=C(CC[C@@H]1CCCO1)Nc1ccccc1COc1ccccc1 c1ccc(cc1)OC[*:1] O=C(CC[C@@H]1CCCO1)Nc1ccccc1[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2cc(C)ncn2)cc1 Cc1cc(ncn1)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H](C)S[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2cc(C)ncn2)cc1 CC(=O)[*:1] Cc1cc(ncn1)S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
NC(=O)[C@H]1CN(Cc2cnc(C3CCCC3)s2)CCO1 C1CCC(C1)[*:1] NC(=O)[C@H]1CN(CCO1)Cc1cnc(s1)[*:1]
NC(=O)[C@H]1CN(Cc2cnc(C3CCCC3)s2)CCO1 NC(=O)[*:1] c1nc(sc1CN1CCO[C@H](C1)[*:1])C1CCCC1
COc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1 CC(C)C[*:1] COc1ccc(cc1)NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[*:1]
COc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)[C@@H](C[*:1])NC(=O)c1ccc(Cl)cc1
COc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H](CC(C)C)NC(=O)[*:1]
CC[C@H](CN[C@H](c1cccnc1)C(C)C)[NH+]1CCCC1 c1cncc(c1)[*:1] CC[C@H](CN[C@H](C(C)C)[*:1])[NH+]1CCCC1
CC[C@H](CN[C@H](c1cccnc1)C(C)C)[NH+]1CCCC1 CC(C)[*:1] CC[C@H](CN[C@H](c1cccnc1)[*:1])[NH+]1CCCC1
CCc1cccc(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1O O=C(N[*:1])[C@@H]1CCCO1 CCc1cccc(C(=O)NCc2cccc(c2)[*:1])c1O
CCc1cccc(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1O CCc1cccc(c1O)[*:1] O=C(Nc1cccc(c1)CNC(=O)[*:1])[C@@H]1CCCO1
O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 c1ccc(cc1)[*:1] O=C(N[C@H](Cn1cc[nH+]c1)[*:1])c1nc2ccccc2c(=O)[nH]1
O=C(COc1cccc[n+]1[O-])Nc1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] O=C(COc1cccc[n+]1[O-])Nc1cccc(c1)[*:1]
O=C(COc1cccc[n+]1[O-])Nc1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(COc1cccc[n+]1[O-])Nc1cccc(c1)O[*:1]
COC(=O)[C@@]1(C(C)C)O[C@]1(C)c1ccc(F)cc1 COC(=O)[*:1] CC(C)[C@]1(O[C@]1(C)c1ccc(F)cc1)[*:1]
COC(=O)[C@@]1(C(C)C)O[C@]1(C)c1ccc(F)cc1 CC(C)[*:1] COC(=O)[C@]1(O[C@]1(C)c1ccc(F)cc1)[*:1]
COc1cc2c(cc1OC)CN(C(=O)NCc1ccc(NC(=O)c3ccco3)cc1)CC2 O=C(N[*:1])c1ccco1 COc1cc2CCN(Cc2cc1OC)C(=O)NCc1ccc(cc1)[*:1]
COc1cc2c(cc1OC)CN(C(=O)NCc1ccc(NC(=O)c3ccco3)cc1)CC2 c1coc(c1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)NCc1ccc(cc1)NC(=O)[*:1]
COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3O)on2)cc1OC Cc1ccc(O)c(c1)[*:1] COc1ccc(cc1OC)-c1cc(on1)C(=O)N[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C2CCCCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)C1CCCCC1
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C2CCCCC2)cc1 C1CCC(CC1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)[*:1]
NC(=O)C1CCC(Nc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 NC(=O)[*:1] O=[N+]([O-])c1cc(Cl)c(Cl)cc1NC1CCC(CC1)[*:1]
NC(=O)C1CCC(Nc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] NC(=O)C1CCC(CC1)Nc1cc(Cl)c(Cl)cc1[*:1]
O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)NC[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)NC[C@H](O)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(Cl)ccc1OC O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)[C@H](C)Nc1cc(Cl)ccc1OC)[*:1]
COCCCNC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] COCCCNC(=O)N[C@H](c1cccc(F)c1)[*:1]
COCCCNC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 COCCC[*:1] O=C(N[C@H](c1ccccc1)c1cccc(F)c1)N[*:1]
COCCCNC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 COCC[*:1] O=C(NC[*:1])N[C@H](c1ccccc1)c1cccc(F)c1
COCCCNC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 COC[*:1] O=C(NCC[*:1])N[C@H](c1ccccc1)c1cccc(F)c1
COCCCNC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] COCCCNC(=O)N[C@H](c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)CCCC1CCCC1)C(=O)N1CCOCC1 CC(C)[*:1] O=C(CCCC1CCCC1)N[C@@H](C(=O)N1CCOCC1)[*:1]
CC(C)[C@@H](NC(=O)CCCC1CCCC1)C(=O)N1CCOCC1 C1CCC(C1)C[*:1] CC(C)[C@@H](NC(=O)CC[*:1])C(=O)N1CCOCC1
CC(C)[C@@H](NC(=O)CCCC1CCCC1)C(=O)N1CCOCC1 C1CCC(C1)CC[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)N1CCOCC1
CC(C)[C@@H](NC(=O)CCCC1CCCC1)C(=O)N1CCOCC1 C1CCC(C1)[*:1] CC(C)[C@@H](NC(=O)CCC[*:1])C(=O)N1CCOCC1
COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cn1C COC(=O)[*:1] COc1ccccc1N1CCN(CC1)S(=O)(=O)c1cc(n(C)c1)[*:1]
COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cn1C COc1ccccc1[*:1] COC(=O)c1cc(cn1C)S(=O)(=O)N1CCN(CC1)[*:1]
COC(C)(C)C[C@H](C)NC(=O)N1CCS[C@@H](C)[C@H]1C COC(C)(C)[*:1] C[C@@H](C[*:1])NC(=O)N1CCS[C@@H](C)[C@H]1C
COC(C)(C)C[C@H](C)NC(=O)N1CCS[C@@H](C)[C@H]1C COC(C)(C)C[*:1] C[C@@H]1SCCN(C(=O)N[C@@H](C)[*:1])[C@@H]1C
CN(C)C(=O)NC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCC2 CN(C)C(=O)NC(=O)[*:1] O=C(Nc1sc2CCCc2c1[*:1])c1ccc(cc1)-c1ccccc1
CN(C)C(=O)NC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCC2 c1ccc(cc1)[*:1] CN(C)C(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc2CCCc21
O=C(c1c[nH]c2nccc(Cl)c12)N1CC[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(c1c[nH]c2nccc(Cl)c12)N1CC[C@H](C1)[*:1]
CC(C)[C@@H]1C(=O)N[C@@](O)(Cc2ccccc2)c2nc3c(c(=O)n21)C=CC=CO3 CC(C)[*:1] O=C1N[C@@](O)(Cc2ccccc2)c2nc3OC=CC=Cc3c(=O)n2[C@@H]1[*:1]
CC(C)[C@@H]1C(=O)N[C@@](O)(Cc2ccccc2)c2nc3c(c(=O)n21)C=CC=CO3 c1ccc(cc1)C[*:1] CC(C)[C@@H]1C(=O)N[C@@](O)(c2nc3OC=CC=Cc3c(=O)n21)[*:1]
CC(C)[C@@H]1C(=O)N[C@@](O)(Cc2ccccc2)c2nc3c(c(=O)n21)C=CC=CO3 c1ccc(cc1)[*:1] CC(C)[C@@H]1C(=O)N[C@@](O)(C[*:1])c2nc3OC=CC=Cc3c(=O)n21
COc1ccccc1-c1noc([C@@H](C)NC(=O)NC[C@H]2CC=CCC2)n1 COc1ccccc1[*:1] C[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1nc(no1)[*:1]
C[C@@H](CNC(=O)c1ccc(N2CCCC2)nc1)Sc1ccccc1 c1ccc(cc1)S[*:1] C[C@@H](CNC(=O)c1ccc(nc1)N1CCCC1)[*:1]
C[C@@H](CNC(=O)c1ccc(N2CCCC2)nc1)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1ccc(nc1)N1CCCC1)S[*:1]
C[C@@H](CNC(=O)c1ccc(N2CCCC2)nc1)Sc1ccccc1 C1CCN(C1)[*:1] C[C@@H](CNC(=O)c1ccc(nc1)[*:1])Sc1ccccc1
COC(C)(C)[C@@H](O)CCS(C)(=O)=O CS(=O)(=O)[*:1] COC(C)(C)[C@@H](O)CC[*:1]
C=CCN(Cc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O N#Cc1ccc(cc1)[*:1] C=CCN(C[*:1])[C@H]1CCN(CC(F)(F)F)C1=O
C=CCN(Cc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] C=CCN(Cc1ccc(C#N)cc1)[C@H]1CCN(C1=O)[*:1]
C=CCN(Cc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O C=CC[*:1] N#Cc1ccc(cc1)CN([C@H]1CCN(CC(F)(F)F)C1=O)[*:1]
C=CCN(Cc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] C=CCN(Cc1ccc(C#N)cc1)[C@H]1CCN(C[*:1])C1=O
CN(C)C(=O)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 CN(C)C(=O)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1C[C@H](Oc2ccccc21)[*:1]
CN(C)C(=O)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 O=[N+]([O-])[*:1] CN(C)C(=O)[C@@H]1CN(C(=O)c2cccc(c2)[*:1])c2ccccc2O1
CC(C)C1CCC(c2noc(C3C[NH2+]C3)n2)CC1 CC(C)[*:1] C1CC(CCC1c1noc(n1)C1C[NH2+]C1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccccc1
Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)[*:1])c(C)c1
CCNS(=O)(=O)[C@H]1CCN(CN2C(=O)C[C@H]2c2ccccc2)C1 CCNS(=O)(=O)[*:1] O=C1C[C@@H](c2ccccc2)N1CN1CC[C@@H](C1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(CN2C(=O)C[C@H]2c2ccccc2)C1 c1ccc(cc1)[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)CN1C(=O)C[C@@H]1[*:1]
Cc1cccn2c(C[NH2+][C@@H](C)CCCO)cnc12 OCC[*:1] Cc1cccn2c(cnc12)C[NH2+][C@@H](C)C[*:1]
Cc1cccn2c(C[NH2+][C@@H](C)CCCO)cnc12 OCCC[*:1] Cc1cccn2c(cnc12)C[NH2+][C@@H](C)[*:1]
O=C1CCc2cc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)ccc2N1 OC1CCN(CC1)[*:1] O=C1CCc2cc(ccc2N1)NC(=O)c1ccc(cc1)[*:1]
O=C(CN1C(=O)CCC1=O)OC1CN(c2nc3ccc(F)cc3s2)C1 O=C1CCC(=O)N1C[*:1] O=C(OC1CN(C1)c1nc2ccc(F)cc2s1)[*:1]
O=C(CN1C(=O)CCC1=O)OC1CN(c2nc3ccc(F)cc3s2)C1 O=C1CCC(=O)N1[*:1] O=C(C[*:1])OC1CN(C1)c1nc2ccc(F)cc2s1
CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc(C)c1C CC(=O)N[*:1] Cc1cccc(NC(=O)[C@H](CCS(C)(=O)=O)[*:1])c1C
CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc(C)c1C CS(=O)(=O)CC[*:1] CC(=O)N[C@@H](C(=O)Nc1cccc(C)c1C)[*:1]
CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc(C)c1C CS(=O)(=O)[*:1] CC(=O)N[C@@H](CC[*:1])C(=O)Nc1cccc(C)c1C
CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1cccc(C)c1C CS(=O)(=O)C[*:1] CC(=O)N[C@@H](C[*:1])C(=O)Nc1cccc(C)c1C
CC(C)NC(=O)C[N+]12CC[N+](CC(=O)NC(C)C)(CC1)CC2 CC(C)NC(=O)[*:1] CC(C)NC(=O)C[N+]12CC[N+](CC1)(CC2)C[*:1]
CC(C)NC(=O)C[N+]12CC[N+](CC(=O)NC(C)C)(CC1)CC2 CC(C)[*:1] CC(C)NC(=O)C[N+]12CC[N+](CC1)(CC2)CC(=O)N[*:1]
CC(C)NC(=O)C[N+]12CC[N+](CC(=O)NC(C)C)(CC1)CC2 CC(C)NC(=O)C[*:1] CC(C)NC(=O)C[N+]12CC[N+](CC1)(CC2)[*:1]
CN(C)C(=O)Cc1ccc(-c2nn3c(CC(=O)N(C)C)nnc3s2)cc1Cl CN(C)C(=O)C[*:1] CN(C)C(=O)Cc1nnc2sc(nn12)-c1ccc(c(Cl)c1)[*:1]
CN(C)C(=O)Cc1ccc(-c2nn3c(CC(=O)N(C)C)nnc3s2)cc1Cl CN(C)C(=O)C[*:1] CN(C)C(=O)Cc1ccc(cc1Cl)-c1nn2c(nnc2s1)[*:1]
CN(C)C(=O)Cc1ccc(-c2nn3c(CC(=O)N(C)C)nnc3s2)cc1Cl CN(C)C(=O)[*:1] CN(C)C(=O)Cc1ccc(cc1Cl)-c1nn2c(C[*:1])nnc2s1
CN(C)C(=O)Cc1ccc(-c2nn3c(CC(=O)N(C)C)nnc3s2)cc1Cl CN(C)C(=O)[*:1] CN(C)C(=O)Cc1nnc2sc(nn12)-c1ccc(C[*:1])c(Cl)c1
CCC[NH2+][C@H](c1cc(C)ccn1)C(CC)CC CCC(CC)[*:1] CCC[NH2+][C@H](c1cc(C)ccn1)[*:1]
CCC[NH2+][C@H](c1cc(C)ccn1)C(CC)CC CCC[*:1] CCC(CC)[C@H]([NH2+][*:1])c1cc(C)ccn1
COc1cccc(/C=C/C(=O)N2CCC[C@H]2C(N)=O)c1 NC(=O)[*:1] COc1cccc(/C=C/C(=O)N2CCC[C@@H]2[*:1])c1
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NC3CCCCCC3)cc21 C1CCCC(CC1)[*:1] CC(=O)N1CCc2cc(Br)c(cc21)S(=O)(=O)CCC(=O)N[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccccc1OC(=O)N1CCOCC1 c1csc(c1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@H]1c1ccccc1OC(=O)N1CCOCC1)[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccccc1OC(=O)N1CCOCC1 O=C(O[*:1])N1CCOCC1 N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccccc1[*:1]
C#CCNC(=O)NNc1c(Cl)cc(Cl)cc1Cl C#CC[*:1] O=C(NNc1c(Cl)cc(Cl)cc1Cl)N[*:1]
c1ccc(COCC[NH2+]Cc2cc[nH]c2)cc1 c1cc(c[nH]1)[*:1] c1ccc(cc1)COCC[NH2+]C[*:1]
COc1ccc(Br)cc1CNC(=O)c1ncoc1-c1cccc(C)c1 Cc1cccc(c1)[*:1] COc1ccc(Br)cc1CNC(=O)c1ncoc1[*:1]
Cc1c(NC(=O)c2ccnnc2)cccc1S(=O)(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1c(cccc1S(=O)(=O)N[*:1])NC(=O)c1ccnnc1
Cc1c(NC(=O)c2ccnnc2)cccc1S(=O)(=O)NC(C)(C)C CC(C)(C)NS(=O)(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccnnc1
Cc1c(NC(=O)c2ccnnc2)cccc1S(=O)(=O)NC(C)(C)C c1cc(cnn1)[*:1] Cc1c(cccc1S(=O)(=O)NC(C)(C)C)NC(=O)[*:1]
CC(=O)N[C@H](CC(=O)Oc1ccc2ccc(=O)oc2c1)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)Oc1ccc2ccc(=O)oc2c1)[*:1]
CC(=O)N[C@H](CC(=O)Oc1ccc2ccc(=O)oc2c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Oc1ccc2ccc(=O)oc2c1)[*:1]
O=[N+]([O-])c1cc(I)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(I)cc(c1)[*:1]
CC(C)[C@@H]([NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H]([NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)[*:1]
CC(C)[C@@H]([NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)C(=O)[O-] CC(C)[*:1] C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C(=O)[O-])[*:1]
COc1ccc(S(=O)(=O)NCC[C@@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)NCC[C@@H](O)[*:1]
C[C@H](NC(=O)Nc1cnc(C(C)(C)C)nc1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)Nc1cnc(nc1)[*:1])C(=O)NC(C)(C)C
C[C@H](NC(=O)Nc1cnc(C(C)(C)C)nc1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)Nc1cnc(nc1)C(C)(C)C)C(=O)N[*:1]
C[C@H](NC(=O)Nc1cnc(C(C)(C)C)nc1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](NC(=O)Nc1cnc(nc1)C(C)(C)C)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c(C)c1[*:1]
CCc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c1 CCc1cccc(c1)[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)C(=O)N[*:1]
CCc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c1 CC(C)O[*:1] CCc1cccc(c1)NC(=O)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c1 CC(C)[*:1] CCc1cccc(c1)NC(=O)C(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 O=C(N1CCCC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)Nc1ccc2CCCc2c1)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 C[C@@H](C(=O)N1CCCC1)[*:1] O=C(Nc1ccc2CCCc2c1)N1CCN(CC1)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 c1cc2CCCc2cc1[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)N[*:1]
CC[C@@H]1CN(C(=O)NCc2ncc(C)s2)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@@H]1[*:1])C(=O)NCc1ncc(C)s1
CC[C@@H]1CN(C(=O)NCc2ncc(C)s2)CC[C@H]1c1ccccc1 Cc1cnc(s1)[*:1] CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)NC[*:1]
CC[C@@H]1CN(C(=O)NCc2ncc(C)s2)CC[C@H]1c1ccccc1 Cc1cnc(C[*:1])s1 CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)N[*:1]
CCC[C@@H]([NH2+]Cc1cncn1C1CC1)C(=O)[O-] C1CC1[*:1] CCC[C@@H]([NH2+]Cc1cncn1[*:1])C(=O)[O-]
CCC[C@@H]([NH2+]Cc1cncn1C1CC1)C(=O)[O-] CCC[*:1] O=C([O-])[C@H]([NH2+]Cc1cncn1C1CC1)[*:1]
CCC[C@@H]([NH2+]Cc1cncn1C1CC1)C(=O)[O-] O=C([O-])[*:1] CCC[C@@H]([NH2+]Cc1cncn1C1CC1)[*:1]
O=C(NCCCOC1CCOCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 C1CC(CCO1)[*:1] O=C(NCCCO[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
O=C(NCCCOC1CCOCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 C1CC(CCO1)O[*:1] O=C(NCCC[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
O=C(NCCCOC1CCOCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 C1CC(CCO1)OC[*:1] O=C(NCC[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)c1cnccn1 c1cnc(cn1)[*:1] C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)[*:1]
CN(C(=O)CCN1CCCC1=O)C1CCN(c2cccc(F)c2)CC1 O=C1CCCN1C[*:1] CN(C(=O)C[*:1])C1CCN(CC1)c1cccc(F)c1
CN(C(=O)CCN1CCCC1=O)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CN(C(=O)CCN1CCCC1=O)C1CCN(CC1)[*:1]
CN(C(=O)CCN1CCCC1=O)C1CCN(c2cccc(F)c2)CC1 O=C1CCCN1[*:1] CN(C(=O)CC[*:1])C1CCN(CC1)c1cccc(F)c1
CN(C(=O)CCN1CCCC1=O)C1CCN(c2cccc(F)c2)CC1 O=C1CCCN1CC[*:1] CN(C(=O)[*:1])C1CCN(CC1)c1cccc(F)c1
C[C@H](CC1CC1)Nc1ccc(C#N)c(N)c1 C1CC1C[*:1] C[C@H](Nc1ccc(C#N)c(N)c1)[*:1]
C[C@H](CC1CC1)Nc1ccc(C#N)c(N)c1 C1CC1[*:1] C[C@H](C[*:1])Nc1ccc(C#N)c(N)c1
CCc1nn2c(N3CCC(O)CC3)c3c(nc2c1-c1cccs1)CCC3 OC1CCN(CC1)[*:1] CCc1nn2c(c3CCCc3nc2c1-c1cccs1)[*:1]
CCc1nn2c(N3CCC(O)CC3)c3c(nc2c1-c1cccs1)CCC3 c1csc(c1)[*:1] CCc1nn2c(c3CCCc3nc2c1[*:1])N1CCC(O)CC1
O=C(Nc1ccc(F)cc1)c1cccc(-n2cnnc2)n1 c1nncn1[*:1] O=C(Nc1ccc(F)cc1)c1cccc(n1)[*:1]
O=C(Nc1ccc(F)cc1)c1cccc(-n2cnnc2)n1 Fc1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(n1)-n1cnnc1
Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3ccccc3F)cc2)n1 Fc1ccccc1[*:1] Cc1ncc(-c2ccccn2)c(n1)-c1ccc(cc1)CNC(=O)[*:1]
Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3ccccc3F)cc2)n1 O=C(N[*:1])c1ccccc1F Cc1ncc(-c2ccccn2)c(n1)-c1ccc(cc1)C[*:1]
Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3ccccc3F)cc2)n1 c1ccc(nc1)[*:1] Cc1ncc(c(n1)-c1ccc(cc1)CNC(=O)c1ccccc1F)[*:1]
Cc1ccsc1/C=C1\Oc2cc(OCC(N)=O)ccc2C1=O Cc1ccsc1[*:1] NC(=O)COc1ccc2C(=O)C(=C[*:1])Oc2c1
Cc1ccsc1/C=C1\Oc2cc(OCC(N)=O)ccc2C1=O NC(=O)CO[*:1] Cc1ccsc1/C=C1\Oc2cc(ccc2C1=O)[*:1]
Cc1ccsc1/C=C1\Oc2cc(OCC(N)=O)ccc2C1=O NC(=O)C[*:1] Cc1ccsc1/C=C1\Oc2cc(ccc2C1=O)O[*:1]
Cc1ccsc1/C=C1\Oc2cc(OCC(N)=O)ccc2C1=O NC(=O)[*:1] Cc1ccsc1/C=C1\Oc2cc(ccc2C1=O)OC[*:1]
O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC(Cn2cccn2)CC1 c1cnn(c1)C[*:1] O=C(c1ccc(=O)n(n1)-c1ccccc1)N1CCC(CC1)[*:1]
O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC(Cn2cccn2)CC1 c1cnn(c1)[*:1] O=C(c1ccc(=O)n(n1)-c1ccccc1)N1CCC(CC1)C[*:1]
O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC(Cn2cccn2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(=O)n(n1)[*:1])N1CCC(CC1)Cn1cccn1
CCCNC(=S)NC(=O)CCc1ccccc1Cl CCC[*:1] O=C(CCc1ccccc1Cl)NC(=S)N[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(OC(C)C)cc2)s1 CC(C)[*:1] CCc1nnc(s1)N1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(cc1)O[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(OC(C)C)cc2)s1 CC(C)Oc1ccc(cc1)[*:1] CCc1nnc(s1)N1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(OC(C)C)cc2)s1 CCc1nnc(s1)[*:1] CC(C)Oc1ccc(cc1)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(OC(C)C)cc2)s1 CC(C)O[*:1] CCc1nnc(s1)N1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(cc1)[*:1]
CCC(C)(C)c1ccc(OC[C@H](C)C[NH3+])cc1 CCC(C)(C)[*:1] C[C@H](C[NH3+])COc1ccc(cc1)[*:1]
N#C[C@H]1C(=N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)[C@H]2CSCC=C12 Fc1ccc(cc1)[*:1] N#C[C@H]1C(=N)C(C#N)(C#N)[C@@H]([C@H]2CSCC=C12)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 c1cc2OCCOc2cc1[*:1] C[C@H]1Cc2ccccc2N1C(=O)c1cccc(c1)NS(=O)(=O)[*:1]
COc1cccc(CC2(CO)CCN(c3[nH+]c(C)ccc3C(=O)[O-])CC2)c1 COc1cccc(c1)C[*:1] Cc1ccc(C(=O)[O-])c([nH+]1)N1CCC(CO)(CC1)[*:1]
COc1cccc(CC2(CO)CCN(c3[nH+]c(C)ccc3C(=O)[O-])CC2)c1 O=C([O-])[*:1] COc1cccc(c1)CC1(CO)CCN(CC1)c1[nH+]c(C)ccc1[*:1]
COc1cccc(CC2(CO)CCN(c3[nH+]c(C)ccc3C(=O)[O-])CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(C(=O)[O-])c([nH+]1)N1CCC(CO)(CC1)C[*:1]
CCn1cnnc1-c1cccc(NC(=O)c2cc(Br)ccc2F)c1 Fc1ccc(Br)cc1[*:1] CCn1cnnc1-c1cccc(c1)NC(=O)[*:1]
CCn1cnnc1-c1cccc(NC(=O)c2cc(Br)ccc2F)c1 CCn1cnnc1[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(Br)ccc1F
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nnc2n1CCCC2 Clc1cccc(c1)O[*:1] CC(C)[C@H](C(=O)NCc1nnc2CCCCn21)[*:1]
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nnc2n1CCCC2 Clc1cccc(c1)[*:1] CC(C)[C@H](O[*:1])C(=O)NCc1nnc2CCCCn21
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nnc2n1CCCC2 CC(C)[*:1] O=C(NCc1nnc2CCCCn21)[C@@H](Oc1cccc(Cl)c1)[*:1]
O=C(Nc1cc(F)cc(Br)c1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(Nc1cc(F)cc(Br)c1)N1CCOC[C@@H]1[*:1]
C/[NH+]=C(/NCCN1CCc2sccc2C1)NCc1cccs1 c1csc(c1)C[*:1] C/[NH+]=C(/NCCN1CCc2sccc2C1)N[*:1]
C/[NH+]=C(/NCCN1CCc2sccc2C1)NCc1cccs1 c1csc(c1)[*:1] C/[NH+]=C(/NCCN1CCc2sccc2C1)NC[*:1]
CO[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H](C3CC3)C2)C1 C1CC1[*:1] CO[C@@H]1CCCN(C1)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
CC(C)Nc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 CC(C)N[*:1] C[C@H](NC(=O)NCc1cccc(c1)[*:1])[C@@H]1CCCO1
CC(C)Nc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CC(C)Nc1cccc(c1)CNC(=O)N[C@@H](C)[*:1]
CC(C)Nc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 CC(C)[*:1] C[C@H](NC(=O)NCc1cccc(c1)N[*:1])[C@@H]1CCCO1
Cc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccccc3)sc2c1 c1cn(cn1)CCC[*:1] Cc1ccc2nc(sc2c1)N(C(=O)Cc1ccccc1)[*:1]
Cc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccccc3)sc2c1 c1ccc(cc1)C[*:1] Cc1ccc2nc(sc2c1)N(CCCn1ccnc1)C(=O)[*:1]
Cc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccccc3)sc2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(sc2c1)N(CCCn1ccnc1)C(=O)C[*:1]
Cc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccccc3)sc2c1 c1cn(cn1)[*:1] Cc1ccc2nc(sc2c1)N(CCC[*:1])C(=O)Cc1ccccc1
Cc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccccc3)sc2c1 c1cn(cn1)CC[*:1] Cc1ccc2nc(sc2c1)N(C[*:1])C(=O)Cc1ccccc1
Cc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccccc3)sc2c1 c1cn(cn1)C[*:1] Cc1ccc2nc(sc2c1)N(CC[*:1])C(=O)Cc1ccccc1
C[C@@H](CCC(C)(C)C)NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C CC(C)(C)[*:1] C[C@@H](CC[*:1])NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C
C[C@@H](CCC(C)(C)C)NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C CC(C)(C)CC[*:1] C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@H](C)[*:1]
C[C@@H](CCC(C)(C)C)NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C CC(C)(C)C[*:1] C[C@@H](C[*:1])NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C
COC[C@@H]1CCCN(C(=O)[C@@H]2C=C(Cn3ccc4ccccc43)N=N2)C1 COC[*:1] O=C([C@@H]1C=C(Cn2ccc3ccccc32)N=N1)N1CCC[C@H](C1)[*:1]
C=CCN1C(=O)S[C@H](CC(=O)Nc2ccccc2)C1=O c1ccc(cc1)[*:1] C=CCN1C(=O)S[C@H](CC(=O)N[*:1])C1=O
C=CCN1C(=O)S[C@H](CC(=O)Nc2ccccc2)C1=O C=CC[*:1] O=C(C[C@H]1SC(=O)N(C1=O)[*:1])Nc1ccccc1
CC(C)(C)OC(=O)NC1(CNS(C)(=O)=O)CCCCC1 CS(=O)(=O)NC[*:1] CC(C)(C)OC(=O)NC1(CCCCC1)[*:1]
CC(C)(C)OC(=O)NC1(CNS(C)(=O)=O)CCCCC1 CC(C)(C)[*:1] CS(=O)(=O)NCC1(CCCCC1)NC(=O)O[*:1]
CC(C)(C)OC(=O)NC1(CNS(C)(=O)=O)CCCCC1 CS(=O)(=O)N[*:1] CC(C)(C)OC(=O)NC1(CCCCC1)C[*:1]
C[C@H](CNC(=O)c1nc(Cl)ccc1Cl)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@H](CNC(=O)c1nc(Cl)ccc1Cl)[*:1]
C[C@H](CNC(=O)c1nc(Cl)ccc1Cl)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1nc(Cl)ccc1Cl)N[*:1]
C[C@H](C[C@H](O)c1ccco1)NC(=O)Nc1ccc2c(c1)C(=O)CCC2 c1coc(c1)[*:1] C[C@H](C[C@H](O)[*:1])NC(=O)Nc1ccc2CCCC(=O)c2c1
CCc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 Cc1ccc(nc1)[*:1] CCc1ccc(cc1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
CCc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(nc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
O=C(CN1CCN(c2cccc(Cl)c2)C1=O)Nc1nc(-c2cccnc2)cs1 Clc1cccc(c1)[*:1] O=C(CN1CCN(C1=O)[*:1])Nc1nc(cs1)-c1cccnc1
O=C(CN1CCN(c2cccc(Cl)c2)C1=O)Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] O=C(CN1CCN(C1=O)c1cccc(Cl)c1)Nc1nc(cs1)[*:1]
CCOC(=O)c1cccc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 CCOC(=O)[*:1] O[C@H](CNc1cccc(n1)[*:1])c1cc(Cl)cc(Cl)c1
COCCOc1c(Cl)cccc1NC(=O)[C@@H](C)c1cccs1 COC[*:1] C[C@H](C(=O)Nc1cccc(Cl)c1OC[*:1])c1cccs1
COCCOc1c(Cl)cccc1NC(=O)[C@@H](C)c1cccs1 c1csc(c1)[*:1] COCCOc1c(Cl)cccc1NC(=O)[C@@H](C)[*:1]
COCCOc1c(Cl)cccc1NC(=O)[C@@H](C)c1cccs1 COCCO[*:1] C[C@H](C(=O)Nc1cccc(Cl)c1[*:1])c1cccs1
COCCOc1c(Cl)cccc1NC(=O)[C@@H](C)c1cccs1 COCC[*:1] C[C@H](C(=O)Nc1cccc(Cl)c1O[*:1])c1cccs1
COCCOc1c(Cl)cccc1NC(=O)[C@@H](C)c1cccs1 C[C@@H](c1cccs1)[*:1] COCCOc1c(Cl)cccc1NC(=O)[*:1]
CC[NH+]1CCN(c2nc(NC(C)C)c3cnn(C)c3n2)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)c1nc(N[*:1])c2cnn(C)c2n1
CC[NH+]1CCN(c2nc(NC(C)C)c3cnn(C)c3n2)CC1 CC(C)N[*:1] CC[NH+]1CCN(CC1)c1nc(c2cnn(C)c2n1)[*:1]
CC[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1c1ccn(C)n1 c1ccc(cc1)[*:1] CC[C@H]1C[NH2+][C@@H](CN1c1ccn(C)n1)C[*:1]
CC[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1c1ccn(C)n1 c1ccc(cc1)C[*:1] CC[C@H]1C[NH2+][C@H](CN1c1ccn(C)n1)[*:1]
CC[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1c1ccn(C)n1 Cn1ccc(n1)[*:1] CC[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1[*:1]
C[C@H]1Cc2nc(SCC(=O)N3CCc4ccccc43)n(Cc3ccccc3)c(=O)c2S1 c1ccc(cc1)[*:1] C[C@H]1Cc2nc(SCC(=O)N3CCc4ccccc43)n(C[*:1])c(=O)c2S1
C[C@H]1Cc2nc(SCC(=O)N3CCc4ccccc43)n(Cc3ccccc3)c(=O)c2S1 c1ccc(cc1)C[*:1] C[C@H]1Cc2nc(SCC(=O)N3CCc4ccccc43)n(c(=O)c2S1)[*:1]
C[C@@H](NC(=O)[C@@H](C)n1cnc2ccccc21)C(=O)[O-] O=C([O-])[*:1] C[C@H](C(=O)N[C@H](C)[*:1])n1cnc2ccccc21
Cc1nc(-n2cccc2)sc1C(=O)N1CCC[C@H](c2nn(C)c(=O)n2C(C)C)C1 c1ccn(c1)[*:1] Cc1nc(sc1C(=O)N1CCC[C@@H](C1)c1nn(C)c(=O)n1C(C)C)[*:1]
Cc1nc(-n2cccc2)sc1C(=O)N1CCC[C@H](c2nn(C)c(=O)n2C(C)C)C1 CC(C)[*:1] Cc1nc(sc1C(=O)N1CCC[C@@H](C1)c1nn(C)c(=O)n1[*:1])-n1cccc1
C[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@H](C)[C@H](C)c1ccc2ccccc2n1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)O[C@H](C)[C@H](C)c1ccc2ccccc2n1
C[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@H](C)[C@H](C)c1ccc2ccccc2n1 CC(C)(C)C(=O)N[*:1] C[C@@H](OC(=O)[C@H](C)[*:1])[C@H](C)c1ccc2ccccc2n1
Cc1cccc([C@H](CNC(=O)c2cccnc2Cl)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@H](CNC(=O)c1cccnc1Cl)[*:1]
Cc1cccc([C@H](CNC(=O)c2cccnc2Cl)N2CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1cccnc1Cl
Cc1cccc([C@H](CNC(=O)c2cccnc2Cl)N2CCOCC2)c1 Clc1ncccc1[*:1] Cc1cccc(c1)[C@H](CNC(=O)[*:1])N1CCOCC1
CCc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1 Cc1noc(C)c1C[*:1] CCc1nnc(NC(=O)Cc2ccc(cc2)O[*:1])s1
CCc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1 CCc1nnc(s1)[*:1] Cc1noc(C)c1COc1ccc(cc1)CC(=O)N[*:1]
CCc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1 Cc1noc(C)c1[*:1] CCc1nnc(NC(=O)Cc2ccc(cc2)OC[*:1])s1
Cc1ccc(-c2csc(SCC(=O)N(C)C)n2)cc1 CN(C)C(=O)C[*:1] Cc1ccc(cc1)-c1csc(n1)S[*:1]
Cc1ccc(-c2csc(SCC(=O)N(C)C)n2)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)-c1csc(n1)SC[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 FC(F)(F)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1nc(cs1)-c1ccccc1[*:1]
NS(=O)(=O)c1ccc(NC(=O)NCCc2c(F)cccc2F)cc1 Fc1cccc(F)c1[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)NCC[*:1]
NS(=O)(=O)c1ccc(NC(=O)NCCc2c(F)cccc2F)cc1 NS(=O)(=O)[*:1] O=C(NCCc1c(F)cccc1F)Nc1ccc(cc1)[*:1]
C[NH2+][C@@]1(C(N)=O)CC[C@H](Oc2cccc([N+](=O)[O-])c2C)C1 NC(=O)[*:1] C[NH2+][C@]1(CC[C@@H](C1)Oc1cccc(c1C)[N+](=O)[O-])[*:1]
C[NH2+][C@@]1(C(N)=O)CC[C@H](Oc2cccc([N+](=O)[O-])c2C)C1 O=[N+]([O-])[*:1] C[NH2+][C@]1(CC[C@@H](C1)Oc1cccc(c1C)[*:1])C(N)=O
C=CCNC(=S)NNC(=O)c1ccc(Cl)cc1 C=CC[*:1] O=C(NNC(=S)N[*:1])c1ccc(Cl)cc1
CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)[*:1]
O=C(Nn1cnc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nn1cnc2ccccc21)[C@@H]1CCCN1S(=O)(=O)[*:1]
CC[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1CCC(F)(F)F FC(F)(F)C[*:1] CC[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1C[*:1]
CC[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1CCC(F)(F)F FC(F)(F)[*:1] CC[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1CC[*:1]
CC[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1CCC(F)(F)F FC(F)(F)CC[*:1] CC[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1[*:1]
O=C(NCc1ccco1)c1ccc(Cl)nc1 c1coc(c1)[*:1] O=C(NC[*:1])c1ccc(Cl)nc1
O=C(COC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(COC(=O)c1ccccc1Cl)c1ccc(cc1)[*:1]
O=C(COC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 Clc1ccccc1[*:1] O=C(COC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C1CCC1 C1CC(C1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC[C@H]1[*:1]
CC(C)[C@H](NC(=O)[C@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)N[*:1]
CC(C)[C@H](NC(=O)[C@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCCC1 O=C(NC1CCCCCC1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CS[C@H]2c3ccccc3C(=O)N12)[*:1]
CC(C)[C@H](NC(=O)[C@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCCC1 CC(C)[*:1] O=C(N[C@H](C(=O)NC1CCCCCC1)[*:1])[C@H]1CS[C@H]2c3ccccc3C(=O)N12
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(C#N)c3)cc2)cc1 N#Cc1cccc(c1)C[*:1] N#Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)N[*:1]
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(C#N)c3)cc2)cc1 N#Cc1cccc(c1)[*:1] N#Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)NC[*:1]
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(C#N)c3)cc2)cc1 N#Cc1ccc(cc1)O[*:1] N#Cc1cccc(c1)CNC(=O)Nc1ccc(cc1)[*:1]
N#Cc1ccc(Oc2ccc(NC(=O)NCc3cccc(C#N)c3)cc2)cc1 N#Cc1ccc(cc1)[*:1] N#Cc1cccc(c1)CNC(=O)Nc1ccc(cc1)O[*:1]
O[C@@H](CN(Cc1ccccc1F)C1CC1)c1ccc(F)c(F)c1 C1CC1[*:1] O[C@@H](CN(Cc1ccccc1F)[*:1])c1ccc(F)c(F)c1
O[C@@H](CN(Cc1ccccc1F)C1CC1)c1ccc(F)c(F)c1 Fc1ccccc1[*:1] O[C@@H](CN(C[*:1])C1CC1)c1ccc(F)c(F)c1
CCc1ccsc1C[NH2+]Cc1ccccc1N1CCOCC1 CCc1ccsc1[*:1] c1ccc(c(c1)C[NH2+]C[*:1])N1CCOCC1
CCc1ccsc1C[NH2+]Cc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] CCc1ccsc1C[NH2+]Cc1ccccc1[*:1]
CCOc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1CO CCO[*:1] O=S(=O)(/C=C/c1ccccc1)[N-]c1ccc(c(c1)CO)[*:1]
CCOc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1CO c1ccc(cc1)[*:1] CCOc1ccc(cc1CO)[N-]S(=O)(=O)C=C[*:1]
O=C(Nc1nnc([C@H]2CCCO2)o1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] O=C(Nc1nnc(o1)[C@H]1CCCO1)C1CCN(CC1)S(=O)(=O)[*:1]
CC[NH+](CC)CCn1/c(=N/C(=O)C2CCCC2)[nH]c2ccccc21 C1CCC(C1)[*:1] CC[NH+](CC)CCn1/c(=N/C(=O)[*:1])[nH]c2ccccc21
COc1ccc([C@@H](CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] O=c1[nH]c2ccc(cc2[nH]1)S(=O)(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccccc2O)c2cc(Cl)ccc21 O=C(C[*:1])c1ccccc1O Cc1ccccc1CN1C(=O)[C@](O)(c2cc(Cl)ccc21)[*:1]
Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccccc2O)c2cc(Cl)ccc21 Cc1ccccc1[*:1] O=C(C[C@@]1(O)C(=O)N(C[*:1])c2ccc(Cl)cc21)c1ccccc1O
Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccccc2O)c2cc(Cl)ccc21 Cc1ccccc1C[*:1] O=C(C[C@@]1(O)C(=O)N(c2ccc(Cl)cc21)[*:1])c1ccccc1O
Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccccc2O)c2cc(Cl)ccc21 O=C(c1ccccc1O)[*:1] Cc1ccccc1CN1C(=O)[C@](O)(C[*:1])c2cc(Cl)ccc21
Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccccc2O)c2cc(Cl)ccc21 Oc1ccccc1[*:1] Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)[*:1])c2cc(Cl)ccc21
Cc1csc(NC(=O)N[C@@H]2CCc3ccccc32)n1 Cc1csc(n1)[*:1] O=C(N[C@@H]1CCc2ccccc21)N[*:1]
CS(=O)(=O)CCN1CCO[C@H](c2ccc(Cl)s2)C1 CS(=O)(=O)CC[*:1] Clc1ccc(s1)[C@@H]1CN(CCO1)[*:1]
CS(=O)(=O)CCN1CCO[C@H](c2ccc(Cl)s2)C1 Clc1ccc(s1)[*:1] CS(=O)(=O)CCN1CCO[C@H](C1)[*:1]
CS(=O)(=O)CCN1CCO[C@H](c2ccc(Cl)s2)C1 CS(=O)(=O)C[*:1] Clc1ccc(s1)[C@@H]1CN(CCO1)C[*:1]
CS(=O)(=O)CCN1CCO[C@H](c2ccc(Cl)s2)C1 CS(=O)(=O)[*:1] Clc1ccc(s1)[C@@H]1CN(CCO1)CC[*:1]
COCCN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Cl)c(F)c1 COCC[*:1] [NH3+][C@@H]1CC(=O)N([C@@H]1c1ccc(Cl)c(F)c1)[*:1]
COCCN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Cl)c(F)c1 COC[*:1] [NH3+][C@@H]1CC(=O)N(C[*:1])[C@@H]1c1ccc(Cl)c(F)c1
CS(=O)(=O)N1CCC(C(=O)N2CCC(c3cccs3)CC2)CC1 c1csc(c1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
C[C@H]1CN([C@@H](C)CNC(=O)Cn2ccccc2=O)C[C@H](C)O1 O=c1ccccn1[*:1] C[C@H]1CN(C[C@H](C)O1)[C@@H](C)CNC(=O)C[*:1]
N#Cc1ccc(/C=C/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1 OC1CCN(CC1)[*:1] N#Cc1ccc(/C=C/C=C/C(=O)c2ccc(cc2)[*:1])cc1
N#Cc1ccc(/C=C/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(/C=C/C=C[*:1])c1ccc(cc1)N1CCC(O)CC1
CC(C)(O)CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 CC(C)(O)[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1cccc(F)c1
CC(C)(O)CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 CC(C)(O)C[*:1] O=C(N[*:1])[C@@H]1C[C@@H]1c1cccc(F)c1
NC(=O)CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 NC(=O)CC[*:1] C1CCC2(C1)C[C@@H](CCO2)[NH2+]C[*:1]
NC(=O)CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 NC(=O)[*:1] C1CCC2(C1)C[C@@H](CCO2)[NH2+]CCC[*:1]
NC(=O)CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 NC(=O)C[*:1] C1CCC2(C1)C[C@@H](CCO2)[NH2+]CC[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(NC(=O)CC(C)C)cc2)NC(=S)N1C CC(C)CC(=O)N[*:1] CC1=C(C(=O)OC(C)C)[C@@H](NC(=S)N1C)c1ccc(cc1)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(NC(=O)CC(C)C)cc2)NC(=S)N1C CC(C)[*:1] CC1=C(C(=O)O[*:1])[C@@H](NC(=S)N1C)c1ccc(cc1)NC(=O)CC(C)C
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(NC(=O)CC(C)C)cc2)NC(=S)N1C CC(C)C[*:1] CC1=C(C(=O)OC(C)C)[C@@H](NC(=S)N1C)c1ccc(cc1)NC(=O)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(NC(=O)CC(C)C)cc2)NC(=S)N1C CC(C)OC(=O)[*:1] CC1=C([C@@H](NC(=S)N1C)c1ccc(cc1)NC(=O)CC(C)C)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(NC(=O)CC(C)C)cc2)NC(=S)N1C CC(C)[*:1] CC1=C(C(=O)OC(C)C)[C@@H](NC(=S)N1C)c1ccc(cc1)NC(=O)C[*:1]
COc1ccc([C@H](CNC(=O)Cn2c(=O)oc3ccccc32)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1c(=O)oc2ccccc21)NC[C@H]([NH+]1CCCC1)[*:1]
O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(NC2CC2)c(c1)[*:1]
O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1N[*:1] O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 c1ccc(nc1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1ccc(NC2CC2)c(c1)[N+](=O)[O-]
O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])c1ccc(NC2CC2)c(c1)[N+](=O)[O-]
CC(=O)Nc1cc(NC(=O)c2ccc3[nH]cnc3c2)ccc1F CC(=O)N[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1ccc2[nH]cnc2c1
COC(=O)CCSc1cc(C)nc(-c2ccccn2)n1 COC(=O)CC[*:1] Cc1cc(nc(n1)-c1ccccn1)S[*:1]
COC(=O)CCSc1cc(C)nc(-c2ccccn2)n1 COC(=O)C[*:1] Cc1cc(nc(n1)-c1ccccn1)SC[*:1]
COC(=O)CCSc1cc(C)nc(-c2ccccn2)n1 COC(=O)[*:1] Cc1cc(nc(n1)-c1ccccn1)SCC[*:1]
COC(=O)CCSc1cc(C)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] COC(=O)CCSc1cc(C)nc(n1)[*:1]
CC(C)(C)C(=O)NNC(=O)COc1cc(Cl)c(Cl)cc1Cl CC(C)(C)[*:1] O=C(COc1cc(Cl)c(Cl)cc1Cl)NNC(=O)[*:1]
Cc1ccc(NC(=O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N1CCCC1)N[*:1]
Cc1ccc(NC(=O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)c(Cl)c1 O=C(N1CCCC1)[*:1] Cc1ccc(NC(=O)C[NH+]2CCN(CC2)C[*:1])c(Cl)c1
Cc1ccc(NC(=O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)c(Cl)c1 O=C(C[*:1])N1CCCC1 Cc1ccc(NC(=O)C[NH+]2CCN(CC2)[*:1])c(Cl)c1
O=C(/C=C/c1cc(Br)ccc1OC(F)F)Nc1ccc(C(=O)N2CCOCC2)cc1 FC(F)[*:1] O=C(/C=C/c1cc(Br)ccc1O[*:1])Nc1ccc(cc1)C(=O)N1CCOCC1
O=C(/C=C/c1cc(Br)ccc1OC(F)F)Nc1ccc(C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] O=C(/C=C/c1cc(Br)ccc1OC(F)F)Nc1ccc(cc1)[*:1]
O=C(/C=C/c1cc(Br)ccc1OC(F)F)Nc1ccc(C(=O)N2CCOCC2)cc1 FC(F)O[*:1] O=C(/C=C/c1cc(Br)ccc1[*:1])Nc1ccc(cc1)C(=O)N1CCOCC1
Clc1ccc2[nH]c3c(N4CC[NH+](Cc5ccccc5)CC4)ncnc3c2c1 c1ccc(cc1)C[*:1] Clc1ccc2[nH]c3c(ncnc3c2c1)N1CC[NH+](CC1)[*:1]
Clc1ccc2[nH]c3c(N4CC[NH+](Cc5ccccc5)CC4)ncnc3c2c1 c1ccc(cc1)[*:1] Clc1ccc2[nH]c3c(ncnc3c2c1)N1CC[NH+](CC1)C[*:1]
C[C@H]1CCCC[C@H]1OCCSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] C[C@H]1CCCC[C@H]1OCCSc1nnc(C2CC2)n1[*:1]
C[C@H]1CCCC[C@H]1OCCSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] C[C@H]1CCCC[C@H]1OCCSc1nnc(n1C1CC1)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)NCCc1ccc(Cl)cc1)[C@H](c1cccs1)N(C)C2=O Clc1ccc(cc1)C[*:1] COc1cc2C(=O)N(C)[C@@H](c3cccs3)[C@@H](C(=O)NC[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@H](C(=O)NCCc1ccc(Cl)cc1)[C@H](c1cccs1)N(C)C2=O c1csc(c1)[*:1] COc1cc2C(=O)N(C)[C@@H]([C@@H](C(=O)NCCc3ccc(Cl)cc3)c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)NCCc1ccc(Cl)cc1)[C@H](c1cccs1)N(C)C2=O Clc1ccc(cc1)CC[*:1] COc1cc2C(=O)N(C)[C@@H](c3cccs3)[C@@H](C(=O)N[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@H](C(=O)NCCc1ccc(Cl)cc1)[C@H](c1cccs1)N(C)C2=O Clc1ccc(cc1)[*:1] COc1cc2C(=O)N(C)[C@@H](c3cccs3)[C@@H](C(=O)NCC[*:1])c2cc1OC
O=S(=O)(NCc1cccs1)c1ccc(-c2cc(C(F)(F)F)on2)s1 FC(F)(F)[*:1] O=S(=O)(NCc1cccs1)c1ccc(s1)-c1cc(on1)[*:1]
O=S(=O)(NCc1cccs1)c1ccc(-c2cc(C(F)(F)F)on2)s1 c1csc(c1)[*:1] O=S(=O)(NC[*:1])c1ccc(s1)-c1cc(on1)C(F)(F)F
O=S(=O)(NCc1cccs1)c1ccc(-c2cc(C(F)(F)F)on2)s1 c1csc(c1)C[*:1] O=S(=O)(N[*:1])c1ccc(s1)-c1cc(on1)C(F)(F)F
Cc1cc(C)c(NC(=O)CSc2nnc(NC(=O)/C=C\c3ccccc3)s2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CSc2nnc(NC(=O)C=C[*:1])s2)c(C)c1
Cc1cc(C)c(NC(=O)CSc2nnc(NC(=O)/C=C\c3ccccc3)s2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(/C=C\c1ccccc1)Nc1nnc(SCC(=O)N[*:1])s1
Cc1cc(C)c(NC(=O)CSc2nnc(NC(=O)/C=C\c3ccccc3)s2)c(C)c1 C(=C[*:1])c1ccccc1 Cc1cc(C)c(NC(=O)CSc2nnc(NC(=O)[*:1])s2)c(C)c1
Cc1nc([C@H]2CCCN(C(=O)CCn3cncn3)C2)cc(=O)[nH]1 c1ncn(n1)[*:1] Cc1nc(cc(=O)[nH]1)[C@H]1CCCN(C1)C(=O)CC[*:1]
Cc1nc([C@H]2CCCN(C(=O)CCn3cncn3)C2)cc(=O)[nH]1 c1ncn(C[*:1])n1 Cc1nc(cc(=O)[nH]1)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1nc([C@H]2CCCN(C(=O)CCn3cncn3)C2)cc(=O)[nH]1 c1ncn(CC[*:1])n1 Cc1nc(cc(=O)[nH]1)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@H](NC(=O)Cn1cnc(C2CCC2)cc1=O)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)Cn1cnc(cc1=O)C1CCC1)[*:1]
C[C@H](NC(=O)Cn1cnc(C2CCC2)cc1=O)c1cccs1 C1CC(C1)[*:1] C[C@H](NC(=O)Cn1cnc(cc1=O)[*:1])c1cccs1
C[C@H](NC(=O)Cn1cnc(C2CCC2)cc1=O)c1cccs1 C[C@H](c1cccs1)[*:1] O=C(Cn1cnc(cc1=O)C1CCC1)N[*:1]
O=C(NCc1cccc(F)c1)Nc1ccc(N2CCCC2)[nH+]c1 C1CCN(C1)[*:1] O=C(NCc1cccc(F)c1)Nc1ccc([nH+]c1)[*:1]
O=C(NCc1cccc(F)c1)Nc1ccc(N2CCCC2)[nH+]c1 Fc1cccc(c1)[*:1] O=C(NC[*:1])Nc1ccc([nH+]c1)N1CCCC1
CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1 c1cc2cc(ccc2[nH]1)[*:1] CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1Cc2cc(Cl)cc(c2O1)[*:1]
CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1 CC(=O)N1CCC[C@@H]1[*:1] O=C(NC[C@@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1)[*:1]
Cc1noc(CCNC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)n1 c1csc(n1)[*:1] Cc1noc(CCNC(=O)C(=O)Nc2ccc(cc2)[*:1])n1
Cc1noc(CCNC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)n1 Cc1noc(CC[*:1])n1 O=C(Nc1ccc(cc1)-c1nccs1)C(=O)N[*:1]
Cc1noc(CCNC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)n1 Cc1noc(C[*:1])n1 O=C(NC[*:1])C(=O)Nc1ccc(cc1)-c1nccs1
Cc1noc(CCNC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)n1 Cc1noc(n1)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(cc1)-c1nccs1
CCOC(=O)NC(NC(=O)OCC)c1ccccc1Cl CCOC(=O)N[*:1] CCOC(=O)NC(c1ccccc1Cl)[*:1]
Cc1nn2ccccc2c1C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 O=C(NC1CC1)[*:1] Cc1nn2ccccc2c1C(=O)N1CCC[C@H](C1)[*:1]
Cc1nn2ccccc2c1C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 C1CC1[*:1] Cc1nn2ccccc2c1C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ncc(C(=O)N(C)C)c(C2CCC(CNC(=O)c3cc(C4CC4)n[nH]3)CC2)n1 c1c(n[nH]c1[*:1])C1CC1 Cc1ncc(C(=O)N(C)C)c(n1)C1CCC(CC1)CNC(=O)[*:1]
Cc1ncc(C(=O)N(C)C)c(C2CCC(CNC(=O)c3cc(C4CC4)n[nH]3)CC2)n1 CN(C)C(=O)[*:1] Cc1ncc(c(n1)C1CCC(CC1)CNC(=O)c1cc(n[nH]1)C1CC1)[*:1]
Cc1ncc(C(=O)N(C)C)c(C2CCC(CNC(=O)c3cc(C4CC4)n[nH]3)CC2)n1 C1CC1[*:1] Cc1ncc(C(=O)N(C)C)c(n1)C1CCC(CC1)CNC(=O)c1cc(n[nH]1)[*:1]
C[C@@H](Sc1nccn1-c1ccc(Cl)cc1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@@H](Sc1nccn1-c1ccc(Cl)cc1)[*:1]
C[C@@H](Sc1nccn1-c1ccc(Cl)cc1)C(=O)N1CCCC1 Clc1ccc(cc1)[*:1] C[C@@H](Sc1nccn1[*:1])C(=O)N1CCCC1
CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CN2C1=O FC(F)(F)[*:1] CC(C)[C@H]1NC(=O)[C@@H]2C[C@@H](CN2C1=O)NC(=O)c1cnn(-c2ccccc2)c1[*:1]
CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CN2C1=O CC(C)[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](C(=O)N2C1)[*:1])c1cnn(-c2ccccc2)c1C(F)(F)F
CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CN2C1=O c1ccc(cc1)[*:1] CC(C)[C@H]1NC(=O)[C@@H]2C[C@@H](CN2C1=O)NC(=O)c1cnn(c1C(F)(F)F)[*:1]
Cc1cc(-n2cnc(C(=O)[O-])c2)nc(Cl)n1 O=C([O-])[*:1] Cc1cc(nc(Cl)n1)-n1cnc(c1)[*:1]
CC[C@H](C)NC(=O)c1oc2ccc(OC)cc2c1C CC[C@H](C)[*:1] COc1ccc2oc(C(=O)N[*:1])c(C)c2c1
O=C(CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCCCC1 FC(F)(F)[*:1] O=C(CC[NH2+][C@H](c1cccc(c1)[*:1])C1CC1)N1CCCCC1
O=C(CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] FC(F)(F)c1cccc(c1)[C@@H]([NH2+]CC[*:1])C1CC1
O=C(CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCCCC1 C1CC1[*:1] O=C(CC[NH2+][C@H](c1cccc(c1)C(F)(F)F)[*:1])N1CCCCC1
C[C@H]1CCCN(S(=O)(=O)NCc2cccnc2-n2cncn2)C1 c1ncn(n1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)NCc1cccnc1[*:1]
CC(C)(C)c1nnnn1CN1CCN(c2cc(C#N)ccn2)CC1 CC(C)(C)[*:1] N#Cc1ccnc(c1)N1CCN(CC1)Cn1nnnc1[*:1]
CC(C)(C)c1nnnn1CN1CCN(c2cc(C#N)ccn2)CC1 N#Cc1ccnc(c1)[*:1] CC(C)(C)c1nnnn1CN1CCN(CC1)[*:1]
COc1ccccc1/C=C(/C#N)C(=O)NCc1ccc2c(c1)OCO2 COc1ccccc1[*:1] N#CC(=C[*:1])C(=O)NCc1ccc2OCOc2c1
CCC1(C(=O)NNC(=O)CSC)CCC1 CSC[*:1] CCC1(CCC1)C(=O)NNC(=O)[*:1]
COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccccc1-c1n[nH]c(=S)n1NC[*:1]
O=C(NCc1cccnc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 c1cncc(c1)[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1
O=C(NCc1cccnc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 c1cncc(c1)C[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1
O=C(NCc1cccnc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(NCc1cccnc1)[C@H]1CC(=O)N(CC[*:1])C1
O=C(NCc1cccnc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] O=C(NCc1cccnc1)[C@H]1CC(=O)N(C1)C[*:1]
O=C1CCCc2c1cc(C(=O)Nc1ccccc1Br)c(=O)n2-c1ccc(Cl)cc1 Brc1ccccc1[*:1] O=C1CCCc2c1cc(C(=O)N[*:1])c(=O)n2-c1ccc(Cl)cc1
O=C1CCCc2c1cc(C(=O)Nc1ccccc1Br)c(=O)n2-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1CCCc2c1cc(C(=O)Nc1ccccc1Br)c(=O)n2[*:1]
C[C@@H](O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](O)[C@H]1C[C@@H]1c1cccc(c1)[*:1]
C[C@@H](O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 C[C@@H](O)[*:1] FC(F)(F)c1cccc(c1)[C@H]1C[C@@H]1[*:1]
N#Cc1cc(Cl)nc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1cccc(c1)[*:1]
Nc1c(C(=O)OCC2c3ccccc3-c3ccccc32)ccc(F)c1C(=O)[O-] O=C([O-])[*:1] Nc1c(ccc(F)c1[*:1])C(=O)OCC1c2ccccc2-c2ccccc21
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCC[NH+]3CCN(c4ccccc4F)CC3)c2c1 Fc1ccccc1[*:1] Cc1ccc2nc(cc(C(=O)NCC[NH+]3CCN(CC3)[*:1])c2c1)-c1cccnc1
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCC[NH+]3CCN(c4ccccc4F)CC3)c2c1 c1cncc(c1)[*:1] Cc1ccc2nc(cc(C(=O)NCC[NH+]3CCN(CC3)c3ccccc3F)c2c1)[*:1]
COc1cccc(C(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)C(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
COc1cccc(C(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)Cn1c(=O)n(CC[*:1])c(=O)c2sccc21
COc1cccc(C(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)c1 COc1cccc(c1)[*:1] O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21)[*:1]
COc1cccc(C(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)c1 COc1cccc(c1)C(=O)[*:1] O=c1c2sccc2n(C[*:1])c(=O)n1CCc1ccccc1
COc1cccc(C(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)c1 c1ccc(cc1)CC[*:1] COc1cccc(c1)C(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(C(=O)c2ccncc2)C1 c1cc(ccn1)[*:1] CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(C1)C(=O)[*:1]
CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(C(=O)c2ccncc2)C1 CS(=O)(=O)[*:1] O=C(c1ccncc1)N1CCC[C@@H](C1)c1ncc(Cl)cc1[*:1]
CC(C)n1cnnc1CCN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O CC(C)n1cnnc1[*:1] C[C@]1(CCC(=O)N(CC[*:1])C1)Cc1ccc2OCOc2c1
CC(C)n1cnnc1CCN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O CC(C)[*:1] C[C@]1(CCC(=O)N(CCc2nncn2[*:1])C1)Cc1ccc2OCOc2c1
CC(C)n1cnnc1CCN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O CC(C)n1cnnc1C[*:1] C[C@]1(CCC(=O)N(C1)C[*:1])Cc1ccc2OCOc2c1
CC(C)n1cnnc1CCN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O c1cc2OCOc2cc1[*:1] CC(C)n1cnnc1CCN1C[C@@](C)(CCC1=O)C[*:1]
C[C@H](C(=O)NC1(C)Cc2ccccc2C1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)NC1(C)Cc2ccccc2C1)[*:1]
COc1ccccc1CNc1nc2ccc(Cl)cc2nc1-n1nc(C)cc1C COc1ccccc1[*:1] Cc1cc(C)n(n1)-c1nc2cc(Cl)ccc2nc1NC[*:1]
COc1ccccc1CNc1nc2ccc(Cl)cc2nc1-n1nc(C)cc1C Cc1cc(C)n(n1)[*:1] COc1ccccc1CNc1nc2ccc(Cl)cc2nc1[*:1]
COc1ccccc1CNc1nc2ccc(Cl)cc2nc1-n1nc(C)cc1C COc1ccccc1C[*:1] Cc1cc(C)n(n1)-c1nc2cc(Cl)ccc2nc1N[*:1]
COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F COc1ccc(Cl)cc1[*:1] CN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)[*:1]
COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1[*:1]
CN(C)C(=O)C[NH+](C)Cc1nc2c(N)cccc2o1 CN(C)C(=O)C[*:1] C[NH+](Cc1nc2c(N)cccc2o1)[*:1]
CN(C)C(=O)C[NH+](C)Cc1nc2c(N)cccc2o1 CN(C)C(=O)[*:1] C[NH+](Cc1nc2c(N)cccc2o1)C[*:1]
CC(C)(C)OC(=O)N1CC[C@H](c2nc(Cc3ccc(F)cc3)no2)C1 Fc1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)c1nc(no1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](c2nc(Cc3ccc(F)cc3)no2)C1 Fc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)c1nc(C[*:1])no1
CC(C)(C)OC(=O)N1CC[C@H](c2nc(Cc3ccc(F)cc3)no2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C1)c1nc(Cc2ccc(F)cc2)no1
Cc1ccc2c(=O)cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)oc2c1C Clc1cccc(c1)[*:1] Cc1ccc2c(=O)cc(oc2c1C)C(=O)N1CCN(CC1)[*:1]
Cc1ccc2[nH]c(C(=O)[O-])c(NC(=O)[C@H]3C[C@H]3c3ccccc3)c2c1 O=C([O-])[*:1] Cc1ccc2[nH]c(c(NC(=O)[C@H]3C[C@H]3c3ccccc3)c2c1)[*:1]
Cc1ccc2[nH]c(C(=O)[O-])c(NC(=O)[C@H]3C[C@H]3c3ccccc3)c2c1 c1ccc(cc1)[*:1] Cc1ccc2[nH]c(C(=O)[O-])c(NC(=O)[C@H]3C[C@@H]3[*:1])c2c1
Cc1cc2ncccc2c([N+](=O)[O-])c1Cl O=[N+]([O-])[*:1] Cc1cc2ncccc2c(c1Cl)[*:1]
CSc1nc(C)cc(C(=O)Nc2ccn(C)n2)n1 Cn1ccc(n1)[*:1] CSc1nc(C)cc(n1)C(=O)N[*:1]
COc1cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc2c1OCCO2 c1coc(c1)[*:1] COc1cc(cc2OCCOc12)C[NH2+]C[C@@H](N(C)C)[*:1]
COc1cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc2c1OCCO2 CN(C)[*:1] COc1cc(cc2OCCOc12)C[NH2+]C[C@@H](c1ccco1)[*:1]
Cc1cnn([C@@H]2CCCN(C(=O)CCCc3ccccn3)C2)c1 Cc1cnn(c1)[*:1] O=C(CCCc1ccccn1)N1CCC[C@H](C1)[*:1]
Cc1cnn([C@@H]2CCCN(C(=O)CCCc3ccccn3)C2)c1 c1ccc(C[*:1])nc1 Cc1cnn(c1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
Cc1cnn([C@@H]2CCCN(C(=O)CCCc3ccccn3)C2)c1 c1ccc(nc1)[*:1] Cc1cnn(c1)[C@@H]1CCCN(C1)C(=O)CCC[*:1]
Cc1ccc(OCNc2ccccc2C(=O)NCc2ccccc2)cc1C Cc1ccc(cc1C)[*:1] O=C(NCc1ccccc1)c1ccccc1NCO[*:1]
Cc1ccc(OCNc2ccccc2C(=O)NCc2ccccc2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)OCNc1ccccc1C(=O)N[*:1]
Cc1ccc(OCNc2ccccc2C(=O)NCc2ccccc2)cc1C Cc1ccc(cc1C)O[*:1] O=C(NCc1ccccc1)c1ccccc1NC[*:1]
Cc1ccc(OCNc2ccccc2C(=O)NCc2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)OCNc1ccccc1C(=O)NC[*:1]
CCN(C(=O)c1c(F)ccc(N)c1F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)c1c(F)ccc(N)c1F)[*:1]
N#Cc1ccc(-c2noc(CNC(=O)CC3CCCCC3)n2)nc1 C1CCC(CC1)C[*:1] N#Cc1ccc(nc1)-c1noc(CNC(=O)[*:1])n1
N#Cc1ccc(-c2noc(CNC(=O)CC3CCCCC3)n2)nc1 N#Cc1ccc(nc1)[*:1] O=C(CC1CCCCC1)NCc1nc(no1)[*:1]
N#Cc1ccc(-c2noc(CNC(=O)CC3CCCCC3)n2)nc1 C1CCC(CC1)[*:1] N#Cc1ccc(nc1)-c1noc(CNC(=O)C[*:1])n1
Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)CCCS(N)(=O)=O NS(=O)(=O)C[*:1] Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)CC[*:1]
Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)CCCS(N)(=O)=O NS(=O)(=O)CC[*:1] Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)C[*:1]
Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)CCCS(N)(=O)=O NS(=O)(=O)[*:1] Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)CCC[*:1]
Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)CCCS(N)(=O)=O NS(=O)(=O)CCC[*:1] Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)[*:1]
COC(=O)C1(N(C)C(=O)CCc2nc(C)no2)CCCCC1 Cc1noc(n1)[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)CC[*:1]
COC(=O)C1(N(C)C(=O)CCc2nc(C)no2)CCCCC1 COC(=O)[*:1] Cc1noc(CCC(=O)N(C)C2(CCCCC2)[*:1])n1
COC(=O)C1(N(C)C(=O)CCc2nc(C)no2)CCCCC1 Cc1noc(C[*:1])n1 COC(=O)C1(CCCCC1)N(C)C(=O)C[*:1]
CN1C(=O)CC[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)CC[C@@H](C(=O)Nc2cccc(Cl)c2)[C@@H]1[*:1]
CN1C(=O)CC[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H]1c1ccccc1 Clc1cccc(c1)[*:1] CN1C(=O)CC[C@@H](C(=O)N[*:1])[C@H]1c1ccccc1
O=C(Nc1cccc(F)c1F)N(CCO)[C@H]1CCCc2ccccc21 OCC[*:1] O=C(Nc1cccc(F)c1F)N([C@H]1CCCc2ccccc21)[*:1]
O=C(Nc1cccc(F)c1F)N(CCO)[C@H]1CCCc2ccccc21 Fc1cccc(c1F)[*:1] O=C(N[*:1])N(CCO)[C@H]1CCCc2ccccc21
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 C=CC[*:1] Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(cc1)O[*:1]
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 C=CCO[*:1] Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(cc1)[*:1]
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 Cc1c(Cl)cccc1[*:1] C=CCOc1ccc(/C=N/NC(=O)C(=O)N[*:1])cc1
CCn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1ccc2OCCCOc2c1
CC(C)(C)SCCOc1cccc(C#N)c1 CC(C)(C)S[*:1] N#Cc1cccc(c1)OCC[*:1]
CC(C)(C)SCCOc1cccc(C#N)c1 CC(C)(C)[*:1] N#Cc1cccc(c1)OCCS[*:1]
Cc1ccc2oc(C(=O)N3CCCC[C@H]3CCN3CCCC3=O)c(C)c2c1 O=C1CCCN1C[*:1] Cc1ccc2oc(C(=O)N3CCCC[C@H]3C[*:1])c(C)c2c1
Cc1ccc2oc(C(=O)N3CCCC[C@H]3CCN3CCCC3=O)c(C)c2c1 O=C1CCCN1[*:1] Cc1ccc2oc(C(=O)N3CCCC[C@H]3CC[*:1])c(C)c2c1
Cc1ccc2oc(C(=O)N3CCCC[C@H]3CCN3CCCC3=O)c(C)c2c1 O=C1CCCN1CC[*:1] Cc1ccc2oc(C(=O)N3CCCC[C@@H]3[*:1])c(C)c2c1
CC1(CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)COC1 CC1(COC1)[*:1] O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[*:1]
CC1(CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)COC1 CC1(COC1)C[*:1] O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[*:1]
COc1nccnc1N1CCC(Cc2nncn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1nccnc1N1CCC(CC1)Cc1nncn1[*:1]
COc1nccnc1N1CCC(Cc2nncn2-c2ccccc2)CC1 COc1nccnc1[*:1] c1ccc(cc1)-n1cnnc1CC1CCN(CC1)[*:1]
CCOCCOC(=O)Cl CCO[*:1] O=C(Cl)OCC[*:1]
Cc1ccc(Cc2cccc([C@H]3CCCN3S(=O)(=O)c3cn(C)cn3)n2)cc1 Cc1ccc(cc1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@@H]1c1cccc(C[*:1])n1
Cc1ccc(Cc2cccc([C@H]3CCCN3S(=O)(=O)c3cn(C)cn3)n2)cc1 Cc1ccc(cc1)C[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@@H]1c1cccc(n1)[*:1]
Cc1ccc(Cc2cccc([C@H]3CCCN3S(=O)(=O)c3cn(C)cn3)n2)cc1 Cn1cnc(c1)[*:1] Cc1ccc(cc1)Cc1cccc(n1)[C@H]1CCCN1S(=O)(=O)[*:1]
NC(=O)c1cnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1 NC(=O)c1cnc(s1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCc2ccccc21
NC(=O)c1cnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1 NC(=O)[*:1] O=C(Nc1ncc(s1)[*:1])c1cccc(c1)S(=O)(=O)N1CCc2ccccc21
CC[C@@H]1CCCCN1C(=O)Nc1ccc(C(N)=O)c(F)c1 NC(=O)[*:1] CC[C@@H]1CCCCN1C(=O)Nc1ccc(c(F)c1)[*:1]
COc1ccc(-n2nc3c(c2NC(=O)C2CC2)CS(=O)(=O)C3)cc1 O=C(N[*:1])C1CC1 COc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1[*:1]
COc1ccc(-n2nc3c(c2NC(=O)C2CC2)CS(=O)(=O)C3)cc1 COc1ccc(cc1)[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1[*:1])C1CC1
COc1ccc(-n2nc3c(c2NC(=O)C2CC2)CS(=O)(=O)C3)cc1 C1CC1[*:1] COc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)[*:1]
Cc1cnn(CC[NH2+]C[C@](C)(O)c2cccc(C(F)(F)F)c2)c1 Cc1cnn(c1)C[*:1] C[C@](O)(C[NH2+]C[*:1])c1cccc(c1)C(F)(F)F
Cc1cnn(CC[NH2+]C[C@](C)(O)c2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] Cc1cnn(c1)CC[NH2+]C[C@](C)(O)c1cccc(c1)[*:1]
Cc1cnn(CC[NH2+]C[C@](C)(O)c2cccc(C(F)(F)F)c2)c1 Cc1cnn(c1)[*:1] C[C@](O)(C[NH2+]CC[*:1])c1cccc(c1)C(F)(F)F
O=C(OCc1cccc(Cl)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2N1 Clc1cccc(c1)[*:1] O=C(OC[*:1])[C@@H]1CC[C@H]2CCCC[C@@H]2N1
CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)cc1 CC(=O)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1])Nc1ccc2OCCCOc2c1
CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)cc1 c1cc2OCCCOc2cc1[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1ccc2OCCCOc2c1
O=C(OCc1nnc(-c2ccccc2Cl)o1)C1CCOCC1 Clc1ccccc1[*:1] O=C(OCc1nnc(o1)[*:1])C1CCOCC1
O=C(OCc1nnc(-c2ccccc2Cl)o1)C1CCOCC1 C1CC(CCO1)[*:1] O=C(OCc1nnc(o1)-c1ccccc1Cl)[*:1]
O=C(N/N=C\c1cc(Br)c(Br)s1)c1ccncc1 c1cc(ccn1)[*:1] O=C(N/N=C\c1cc(Br)c(Br)s1)[*:1]
N#Cc1cc(F)c(NCc2ccc(COCCO)c(F)c2)c(F)c1 OCC[*:1] N#Cc1cc(F)c(NCc2ccc(CO[*:1])c(F)c2)c(F)c1
N#Cc1cc(F)c(NCc2ccc(COCCO)c(F)c2)c(F)c1 OCCOC[*:1] N#Cc1cc(F)c(NCc2ccc(c(F)c2)[*:1])c(F)c1
N#Cc1cc(F)c(NCc2ccc(COCCO)c(F)c2)c(F)c1 OCCO[*:1] N#Cc1cc(F)c(NCc2ccc(C[*:1])c(F)c2)c(F)c1
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)N[*:1]
Cc1cc(NC(=O)CCNC(=O)c2ccco2)n(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc(NC(=O)CCNC(=O)c2ccco2)n(n1)[*:1]
Cc1cc(NC(=O)CCNC(=O)c2ccco2)n(Cc2ccccn2)n1 c1coc(c1)[*:1] Cc1cc(NC(=O)CCNC(=O)[*:1])n(Cc2ccccn2)n1
Cc1cc(NC(=O)CCNC(=O)c2ccco2)n(Cc2ccccn2)n1 O=C(N[*:1])c1ccco1 Cc1cc(NC(=O)CC[*:1])n(Cc2ccccn2)n1
Cc1cc(NC(=O)CCNC(=O)c2ccco2)n(Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(NC(=O)CCNC(=O)c2ccco2)n(C[*:1])n1
Cn1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1=O C1CCC(CC1)[*:1] Cn1cccc(NC(=O)C(=O)N[C@H]2C[C@H]2[*:1])c1=O
CS(=O)(=O)c1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1 C1CCCC(CCC1)[*:1] CS(=O)(=O)c1ccc(cc1)[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2[*:1]
CS(=O)(=O)c1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1 CS(=O)(=O)[*:1] O=c1[nH]n(c2N=C(O)C[C@@H](c3ccc(cc3)[*:1])c21)C1CCCCCCC1
C[C@H]1CS(=O)(=O)N(c2cc(C(=O)NCCc3ccc(F)cc3)ccc2Cl)C1=O Fc1ccc(cc1)CC[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1cc(ccc1Cl)C(=O)N[*:1]
C[C@H]1CS(=O)(=O)N(c2cc(C(=O)NCCc3ccc(F)cc3)ccc2Cl)C1=O Fc1ccc(cc1)C[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1cc(ccc1Cl)C(=O)NC[*:1]
C[C@H]1CS(=O)(=O)N(c2cc(C(=O)NCCc3ccc(F)cc3)ccc2Cl)C1=O Fc1ccc(cc1)[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1cc(ccc1Cl)C(=O)NCC[*:1]
NNC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] NNC(=O)c1ccc(o1)-c1ccc(Cl)c(c1)[*:1]
NNC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 NNC(=O)[*:1] O=[N+]([O-])c1cc(ccc1Cl)-c1ccc(o1)[*:1]
CN(CCC[NH2+]Cc1cc(F)cc(Br)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCC[NH2+]Cc1cc(F)cc(Br)c1)[*:1]
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(Br)ccc1Cl Clc1ccc(Br)cc1[*:1] O=C(Nc1cccc(C#Cc2ccccn2)c1)[*:1]
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(Br)ccc1Cl c1ccc(nc1)[*:1] O=C(Nc1cccc(C#C[*:1])c1)c1cc(Br)ccc1Cl
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(Br)ccc1Cl C(#C[*:1])c1ccccn1 O=C(Nc1cccc(c1)[*:1])c1cc(Br)ccc1Cl
CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc21 Clc1ccc(c(Cl)c1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[*:1]
C[C@H]([NH2+]C1CCN(CC(F)F)CC1)[C@H](C)N1CCOCC1 FC(F)[*:1] C[C@H]([NH2+]C1CCN(CC1)C[*:1])[C@H](C)N1CCOCC1
C[C@H]([NH2+]C1CCN(CC(F)F)CC1)[C@H](C)N1CCOCC1 FC(F)C[*:1] C[C@H]([NH2+]C1CCN(CC1)[*:1])[C@H](C)N1CCOCC1
C[C@H]([NH2+]C1CCN(CC(F)F)CC1)[C@H](C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H]([NH2+]C1CCN(CC1)CC(F)F)[C@H](C)[*:1]
CC[C@@H](COC)NC(=O)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C COC[*:1] CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)nc(n2C)C(C)(C)C)[*:1]
CC[C@@H](COC)NC(=O)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C CC(C)(C)[*:1] CC[C@@H](COC)NC(=O)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
COC(=O)CN(Cc1cc(C(N)=O)cs1)C1CCOCC1 COC(=O)[*:1] NC(=O)c1csc(c1)CN(C[*:1])C1CCOCC1
COC(=O)CN(Cc1cc(C(N)=O)cs1)C1CCOCC1 C1CC(CCO1)[*:1] COC(=O)CN(Cc1cc(cs1)C(N)=O)[*:1]
COC(=O)CN(Cc1cc(C(N)=O)cs1)C1CCOCC1 COC(=O)C[*:1] NC(=O)c1csc(c1)CN(C1CCOCC1)[*:1]
COC(=O)CN(Cc1cc(C(N)=O)cs1)C1CCOCC1 NC(=O)[*:1] COC(=O)CN(Cc1cc(cs1)[*:1])C1CCOCC1
CCOc1ccc(N2C(=O)[C@@H](CC)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 CCO[*:1] CC[C@H]1S/C(=C(/C#N)C(=O)Nc2ccccc2OC)N(C1=O)c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)[C@@H](CC)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 CCOc1ccc(cc1)[*:1] CC[C@H]1S/C(=C(/C#N)C(=O)Nc2ccccc2OC)N(C1=O)[*:1]
CCOc1ccc(N2C(=O)[C@@H](CC)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 COc1ccccc1[*:1] CCOc1ccc(cc1)N1C(=O)[C@@H](CC)S/C1=C(/C#N)C(=O)N[*:1]
CCOc1ncnc(NN(C)C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ncnc(NN(C)C)c1[*:1]
CCOc1ncnc(NN(C)C)c1[N+](=O)[O-] CCO[*:1] CN(C)Nc1ncnc(c1[N+](=O)[O-])[*:1]
CCOc1ncnc(NN(C)C)c1[N+](=O)[O-] CN(C)N[*:1] CCOc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)c(C)n1Cc1ccco1 c1coc(c1)[*:1] Cc1cc(C(=O)COC(=O)c2c3C[C@H](C)CCc3nc3ccccc23)c(C)n1C[*:1]
Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)c(C)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1cc(C(=O)COC(=O)c2c3C[C@H](C)CCc3nc3ccccc23)c(C)n1[*:1]
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3ccc(F)cc3s2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1nc2ccc(F)cc2s1
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3ccc(F)cc3s2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1nc2ccc(F)cc2s1)[*:1]
CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 CC(C)[*:1] O=C(N[C@H]1CCCN(C1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 CC(C)C(=O)N[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@@H](C1)[*:1]
CC(C)CCCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C(C)C CC(C)[*:1] CC(C)CCCN1C(=O)[C@H]2CCCN2C(=O)[C@H]1[*:1]
CC(C)CCCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C(C)C CC(C)[*:1] CC(C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1CCC[*:1]
CC(C)CCCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C(C)C CC(C)CCC[*:1] CC(C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1[*:1]
CC(C)CCCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C(C)C CC(C)C[*:1] CC(C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1CC[*:1]
CC(C)CCCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C(C)C CC(C)CC[*:1] CC(C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1C[*:1]
CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)CC1 c1coc(c1)[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1nc2ccc3ccccc3c2s1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1nc2ccc3ccccc3c2s1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COC(=O)c1cc(CNC(=O)c2cc3cccc(OC)c3o2)oc1C COC(=O)[*:1] COc1cccc2cc(oc12)C(=O)NCc1cc(c(C)o1)[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)NNC(=O)c2ccccc2)cc1 CC(C)[*:1] O=C(NNC(=O)c1ccccc1)Nc1ccc(cc1)C(=O)NC[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)NNC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)CNC(=O)c1ccc(cc1)NC(=O)NNC(=O)[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)NNC(=O)c2ccccc2)cc1 CC(C)CNC(=O)[*:1] O=C(NNC(=O)c1ccccc1)Nc1ccc(cc1)[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)NNC(=O)c2ccccc2)cc1 CC(C)C[*:1] O=C(NNC(=O)c1ccccc1)Nc1ccc(cc1)C(=O)N[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)c2cc(NC(=O)c3cccs3)n(C)n2)C1 c1csc(c1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1cc(NC(=O)[*:1])n(C)n1
C[C@H]1C[C@@H](C)CN(C(=O)c2cc(NC(=O)c3cccs3)n(C)n2)C1 O=C(N[*:1])c1cccs1 C[C@H]1C[C@@H](C)CN(C1)C(=O)c1cc(n(C)n1)[*:1]
Cc1sc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N(C)C Fc1ccc(cc1)[*:1] Cc1sc(cc1S(=O)(=O)N(C)C)C(=O)N[*:1]
Cc1sc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1sc(cc1[*:1])C(=O)Nc1ccc(F)cc1
CCC[C@H](C)N1C[C@H](C(=O)NCCc2cccc(F)c2)CC1=O CCC[C@H](C)[*:1] O=C(NCCc1cccc(F)c1)[C@@H]1CC(=O)N(C1)[*:1]
CCC[C@H](C)N1C[C@H](C(=O)NCCc2cccc(F)c2)CC1=O Fc1cccc(c1)[*:1] CCC[C@H](C)N1C[C@@H](CC1=O)C(=O)NCC[*:1]
CCC[C@H](C)N1C[C@H](C(=O)NCCc2cccc(F)c2)CC1=O CCC[*:1] C[C@H](N1C[C@@H](CC1=O)C(=O)NCCc1cccc(F)c1)[*:1]
COC(=O)[C@@H](NC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1)C(C)C COC(=O)[*:1] CC(C)[C@H](NC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1)[*:1]
COC(=O)[C@@H](NC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1)C(C)C CC(C)[*:1] COC(=O)[C@@H](NC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1)[*:1]
COC(=O)[C@@H](NC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1)C(C)C COC(=O)[C@@H](C(C)C)[*:1] Cn1nc(cc1NC(=O)C1CCCC1)C(=O)N[*:1]
COC(=O)[C@@H](NC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1)C(C)C C1CCC(C1)[*:1] COC(=O)[C@@H](NC(=O)c1cc(NC(=O)[*:1])n(C)n1)C(C)C
COC(=O)[C@@H](NC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1)C(C)C O=C(N[*:1])C1CCCC1 COC(=O)[C@@H](NC(=O)c1cc(n(C)n1)[*:1])C(C)C
COc1ccc(C(=O)O[C@H]2CCCCC2=O)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)O[C@H]1CCCCC1=O
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2cscn2)CC1 c1nc(cs1)C[*:1] C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC1)[*:1]
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2cscn2)CC1 c1nc(cs1)[*:1] C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC1)C[*:1]
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2cscn2)CC1 Fc1cccc(c1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)Cc1cscn1
COc1ccnc2c(NC(=O)CNC(=O)c3cccc(C)c3)cccc12 Cc1cccc(c1)[*:1] COc1ccnc2c(cccc12)NC(=O)CNC(=O)[*:1]
COCc1nc(C)cc(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)n1 FC(F)(F)[*:1] COCc1nc(C)cc(n1)N1CCC(CC1)c1ccc(cc1)[*:1]
COCc1nc(C)cc(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N1CCC(CC1)c1ccc(cc1)C(F)(F)F
CCc1nn(C)cc1NC(=O)NCc1ccc(COC)cc1 COC[*:1] CCc1nn(C)cc1NC(=O)NCc1ccc(cc1)[*:1]
COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@H]1CO2)C[C@H](C(C)=O)O4 CC(=O)[*:1] COc1cc2OC[C@@H]3Oc4c(ccc5O[C@@H](Cc54)[*:1])C(=O)[C@@]3(O)c2cc1OC
O=C(CC1CCC1)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 Clc1ccc(cc1)[*:1] O=C(CC1CCC1)NC[C@@H](n1cccn1)[*:1]
O=C(CC1CCC1)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 c1cnn(c1)[*:1] O=C(CC1CCC1)NC[C@@H](c1ccc(Cl)cc1)[*:1]
O=C(CC1CCC1)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 C1CC(C1)[*:1] O=C(C[*:1])NC[C@@H](c1ccc(Cl)cc1)n1cccn1
O=C(CC1CCC1)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 C1CC(C1)C[*:1] O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](CC#N)C1 CC(C)(C)[*:1] N#CC[C@@H]1CCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](CC#N)C1 N#CC[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)[*:1]
CC[NH2+][C@H](C)c1cc(F)ccc1OCc1cccc(Br)c1 Brc1cccc(c1)[*:1] CC[NH2+][C@H](C)c1cc(F)ccc1OC[*:1]
c1cnc(Oc2ccc(CN3CCOC[C@@H]3C3CC3)cc2)cn1 c1cnc(cn1)O[*:1] c1cc(ccc1CN1CCOC[C@@H]1C1CC1)[*:1]
c1cnc(Oc2ccc(CN3CCOC[C@@H]3C3CC3)cc2)cn1 c1cnc(cn1)[*:1] c1cc(ccc1CN1CCOC[C@@H]1C1CC1)O[*:1]
c1cnc(Oc2ccc(CN3CCOC[C@@H]3C3CC3)cc2)cn1 C1CC1[*:1] c1cnc(cn1)Oc1ccc(cc1)CN1CCOC[C@H]1[*:1]
CC(C)C[C@H](O)CNC(=O)Nc1c(F)cccc1Br CC(C)C[C@H](O)[*:1] O=C(NC[*:1])Nc1c(F)cccc1Br
CC(C)C[C@H](O)CNC(=O)Nc1c(F)cccc1Br CC(C)C[*:1] O=C(NC[C@@H](O)[*:1])Nc1c(F)cccc1Br
CC(C)C[C@H](O)CNC(=O)Nc1c(F)cccc1Br CC(C)[*:1] O=C(NC[C@@H](O)C[*:1])Nc1c(F)cccc1Br
COc1cccc2c1OCC[C@H]2[NH2+]C[C@@H]1CCCO[C@@H]1C(C)C CC(C)[*:1] COc1cccc2c1OCC[C@H]2[NH2+]C[C@@H]1CCCO[C@H]1[*:1]
CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)CC(F)(F)F)C1 FC(F)(F)[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)C[*:1]
CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)CC(F)(F)F)C1 FC(F)(F)C[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)[*:1]
Cc1ccc(C)c(S(=O)(=O)c2cn(C)c3cc(N4C[C@@H](C)C[C@H](C)C4)c(F)cc3c2=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@H]1C[C@H](C)CN(C1)c1cc2c(cc1F)c(=O)c(cn2C)S(=O)(=O)[*:1]
CC(=O)C[C@@H]1CCCN1C(=O)C1CCCCCCC1 CC(=O)[*:1] O=C(C1CCCCCCC1)N1CCC[C@H]1C[*:1]
CC(=O)C[C@@H]1CCCN1C(=O)C1CCCCCCC1 CC(=O)C[*:1] O=C(C1CCCCCCC1)N1CCC[C@H]1[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 c1csc(c1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(CC(C)C)c1 CC(C)[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(c1)C[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(CC(C)C)c1 CC(C)C[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(c1)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(CC(C)C)c1 CCS[*:1] CC(C)Cn1cc(cn1)NC(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cc1cccnc1NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 Cc1cccnc1[*:1] O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)N[*:1]
CN(Cc1[nH]cc(-c2ccc(Br)cc2)[nH+]1)C[C@H]1CCOC1 C1C[C@@H](CO1)C[*:1] CN(Cc1[nH]cc([nH+]1)-c1ccc(Br)cc1)[*:1]
CN(Cc1[nH]cc(-c2ccc(Br)cc2)[nH+]1)C[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] CN(Cc1[nH]cc([nH+]1)-c1ccc(Br)cc1)C[*:1]
CN(Cc1[nH]cc(-c2ccc(Br)cc2)[nH+]1)C[C@H]1CCOC1 Brc1ccc(cc1)[*:1] CN(Cc1[nH]cc([nH+]1)[*:1])C[C@H]1CCOC1
O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1Cc1cc(-c2ccco2)on1 c1ccc(cc1)C[*:1] O=c1c2c(ncn2Cc2ccco2)n(c(=O)n1Cc1cc(on1)-c1ccco1)[*:1]
O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1Cc1cc(-c2ccco2)on1 c1ccc(cc1)[*:1] O=c1c2c(ncn2Cc2ccco2)n(C[*:1])c(=O)n1Cc1cc(on1)-c1ccco1
O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1Cc1cc(-c2ccco2)on1 c1coc(c1)[*:1] O=c1c2c(ncn2C[*:1])n(Cc2ccccc2)c(=O)n1Cc1cc(on1)-c1ccco1
O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1Cc1cc(-c2ccco2)on1 c1coc(c1)C[*:1] O=c1c2c(ncn2[*:1])n(Cc2ccccc2)c(=O)n1Cc1cc(on1)-c1ccco1
O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1Cc1cc(-c2ccco2)on1 c1coc(c1)-c1cc(C[*:1])no1 O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1[*:1]
O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1Cc1cc(-c2ccco2)on1 c1coc(c1)[*:1] O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1Cc1cc(on1)[*:1]
O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1Cc1cc(-c2ccco2)on1 c1coc(c1)-c1cc(no1)[*:1] O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1C[*:1]
COc1ccc([C@@H](O)[C@@H](C)N[C@@H](C)c2cn(C(C)(C)C)nc2C)cc1 COc1ccc(cc1)[*:1] Cc1nn(cc1[C@H](C)N[C@H](C)[C@H](O)[*:1])C(C)(C)C
COc1ccc([C@@H](O)[C@@H](C)N[C@@H](C)c2cn(C(C)(C)C)nc2C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)N[C@@H](C)c1cn(nc1C)[*:1]
COc1ccc(CCNC(=O)c2cc(-c3ccco3)on2)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)CCNC(=O)c1cc(on1)[*:1]
C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 Clc1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])n1nc(-c2ccccc2)c2CCCCc2c1=O
C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1nc(c2CCCCc2c1=O)[*:1]
O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)Nc2ccccc2)cc1 Clc1ccccc1[*:1] O=C(C[*:1])Nc1ccc(cc1)NC(=O)Nc1ccccc1
O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1Cl)Nc1ccc(cc1)NC(=O)N[*:1]
O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)Nc2ccccc2)cc1 Clc1ccccc1C[*:1] O=C(Nc1ccccc1)Nc1ccc(cc1)NC(=O)[*:1]
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccncc1)C2 c1cc(ccn1)CC[*:1] C=CCn1nc(C(=O)N2CCCCCC2)c2C[C@@H](CCc21)[NH2+][*:1]
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccncc1)C2 C=CC[*:1] O=C(c1nn(c2CC[C@H](Cc12)[NH2+]CCc1ccncc1)[*:1])N1CCCCCC1
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccncc1)C2 c1cc(ccn1)[*:1] C=CCn1nc(C(=O)N2CCCCCC2)c2C[C@@H](CCc21)[NH2+]CC[*:1]
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccncc1)C2 O=C(N1CCCCCC1)[*:1] C=CCn1nc(c2C[C@@H](CCc21)[NH2+]CCc1ccncc1)[*:1]
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccncc1)C2 c1cc(ccn1)C[*:1] C=CCn1nc(C(=O)N2CCCCCC2)c2C[C@@H](CCc21)[NH2+]C[*:1]
C=CCO/N=C(\C)c1sc2ncnn2c1C C=CC[*:1] C/C(=N\O[*:1])c1sc2ncnn2c1C
O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1)C1CC1 Clc1ccc(cc1Cl)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1])C1CC1
O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1)C1CC1 C1CC1[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1)[*:1]
CC(C)(C)NC(=O)NC(=O)Cn1ccnc1 CC(C)(C)[*:1] O=C(Cn1ccnc1)NC(=O)N[*:1]
CC(C)(C)NC(=O)NC(=O)Cn1ccnc1 c1cn(cn1)[*:1] CC(C)(C)NC(=O)NC(=O)C[*:1]
Clc1cnccc1-c1nc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] Clc1cnccc1-c1nc(n[nH]1)[*:1]
CC(=O)N[C@@H](C(=O)NCCc1nc(C(C)C)no1)C1CCCC1 CC(C)[*:1] CC(=O)N[C@@H](C(=O)NCCc1nc(no1)[*:1])C1CCCC1
CC(=O)N[C@@H](C(=O)NCCc1nc(C(C)C)no1)C1CCCC1 CC(=O)N[*:1] CC(C)c1noc(CCNC(=O)[C@@H](C2CCCC2)[*:1])n1
CC(=O)N[C@@H](C(=O)NCCc1nc(C(C)C)no1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)NCCc1nc(no1)C(C)C)[*:1]
Nc1nonc1-c1noc(COc2ccc(Br)cc2)n1 Nc1nonc1[*:1] Brc1ccc(cc1)OCc1nc(no1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)c1cn(C)nc1-c1ccc(F)cc1F Fc1ccc(cc1)C[*:1] CN(C(=O)c1cn(C)nc1-c1ccc(F)cc1F)[*:1]
CN(Cc1ccc(F)cc1)C(=O)c1cn(C)nc1-c1ccc(F)cc1F Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cn(C)nc1-c1ccc(F)cc1F
CN(Cc1ccc(F)cc1)C(=O)c1cn(C)nc1-c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CN(Cc1ccc(F)cc1)C(=O)c1cn(C)nc1[*:1]
CC(C)(C)NC(=S)NC(=O)/C=C/c1ccccc1Cl CC(C)(C)[*:1] O=C(/C=C/c1ccccc1Cl)NC(=S)N[*:1]
Cc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1 Cc1ccc(cc1)[*:1] CN(C1CCCCC1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)N(C)[*:1]
C[NH+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)C1CCC(CO)CC1 NC(=O)[*:1] C[NH+](Cc1csc(n1)-c1ccc(cc1)[*:1])C1CCC(CO)CC1
COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1F FC(F)O[*:1] COc1ccc(cc1F)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1F FC(F)[*:1] COc1ccc(cc1F)C(=O)Nc1ccc(cc1)O[*:1]
Cc1cc(C)c(C(=O)OCCCc2cnc3c(C)c(C)nn3c2)o1 Cc1cc(C)c(o1)[*:1] Cc1nn2cc(cnc2c1C)CCCOC(=O)[*:1]
O=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CCc1cnn(c1)[*:1])NNC(=O)c1ccc(F)cc1
O=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCc1cnn(c1)-c1ccccc1)NNC(=O)[*:1]
O=C(NCCc1nnc2ccccn12)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] O=C(NCCc1nnc2ccccn12)Nc1ccc(cc1)[*:1]
O=C(NCCc1nnc2ccccn12)Nc1ccc(OC2CCCC2)cc1 c1ccn2c(nnc2c1)[*:1] O=C(NCC[*:1])Nc1ccc(cc1)OC1CCCC1
O=C(NCCc1nnc2ccccn12)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] O=C(NCCc1nnc2ccccn12)Nc1ccc(cc1)O[*:1]
CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] CCS(=O)(=O)Nc1ccc(cc1)C1C[C@H](N(N=1)S(=O)(=O)c1ccccc1)[*:1]
CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccc(C)cc3)C2)cc1 CCS(=O)(=O)N[*:1] Cc1ccc(cc1)[C@H]1CC(=NN1S(=O)(=O)c1ccccc1)c1ccc(cc1)[*:1]
CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccc(C)cc3)C2)cc1 c1ccc(cc1)[*:1] CCS(=O)(=O)Nc1ccc(cc1)C1C[C@H](c2ccc(C)cc2)N(N=1)S(=O)(=O)[*:1]
[NH3+][C@@H]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 O=[N+]([O-])[*:1] [NH3+][C@@H]1CCC[C@H](C1)Oc1ccc(cn1)[*:1]
C[NH2+][C@@H](CCc1ccsc1)[C@@H]1CSCCO1 c1cc(cs1)[*:1] C[NH2+][C@@H](CC[*:1])[C@@H]1CSCCO1
CC(C)CN1CCN(C(=O)c2cc(F)c(F)c(F)c2)CCC1=O CC(C)[*:1] O=C1CCN(CCN1C[*:1])C(=O)c1cc(F)c(F)c(F)c1
CC(C)CN1CCN(C(=O)c2cc(F)c(F)c(F)c2)CCC1=O CC(C)C[*:1] O=C(c1cc(F)c(F)c(F)c1)N1CCC(=O)N(CC1)[*:1]
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)[*:1])cs1
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)cc2)cs1)[*:1]
CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(F)cc2)cs1 O=C(c1ccc(F)cc1)[*:1] CC(=O)N(c1ccc(F)cc1)c1nc(C=C[*:1])cs1
Cc1ccc(NC(=O)C(=O)NCCCN(C)c2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)C(=O)NCCCN(C)[*:1]
Cc1ccc(NC(=O)C(=O)NCCCN(C)c2ccccc2F)cc1 Cc1ccc(cc1)[*:1] CN(CCCNC(=O)C(=O)N[*:1])c1ccccc1F
Cc1cc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)c(C)n1C1CC1 NC(=O)[*:1] Cc1cc(CN2C[C@@H](O[C@H](C)C2)[*:1])c(C)n1C1CC1
Cc1cc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(CN2C[C@H](O[C@H](C)C2)C(N)=O)c(C)n1[*:1]
COC[C@@H](C)NC(=O)c1sc(C(C)C)nc1C CC(C)[*:1] COC[C@@H](C)NC(=O)c1sc(nc1C)[*:1]
COC[C@@H](C)NC(=O)c1sc(C(C)C)nc1C COC[C@@H](C)[*:1] Cc1nc(sc1C(=O)N[*:1])C(C)C
COC[C@@H](C)NC(=O)c1sc(C(C)C)nc1C COC[*:1] Cc1nc(sc1C(=O)N[C@H](C)[*:1])C(C)C
Cc1cn2c(CN3CCCN(c4nccs4)CC3)c(C)nc2s1 c1csc(n1)[*:1] Cc1cn2c(CN3CCCN(CC3)[*:1])c(C)nc2s1
C#CCN1CCN(CC(=O)Nc2c(C)nn(C)c2C)CC1 C#CC[*:1] Cc1nn(C)c(C)c1NC(=O)CN1CCN(CC1)[*:1]
O=C(CSCC(=O)c1ccc2c(c1)Cc1ccccc1-2)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(CSC[*:1])c1ccc2c(c1)Cc1ccccc1-2
O=C(CSCC(=O)c1ccc2c(c1)Cc1ccccc1-2)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSCC(=O)c1ccc2c(c1)Cc1ccccc1-2)N[*:1]
CCc1cc(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)n(C)n1 CCc1cc(n(C)n1)[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)N[*:1]
CCC[C@@H]1C[C@H]1NC(=O)CSc1nnnn1C CCC[*:1] Cn1nnnc1SCC(=O)N[C@@H]1C[C@H]1[*:1]
CCCCCC(=O)Nc1c[nH]cc(Br)c1=O CCCC[*:1] O=C(C[*:1])Nc1c[nH]cc(Br)c1=O
CCCCCC(=O)Nc1c[nH]cc(Br)c1=O CCC[*:1] O=C(CC[*:1])Nc1c[nH]cc(Br)c1=O
CCCCCC(=O)Nc1c[nH]cc(Br)c1=O CCCCC[*:1] O=C(Nc1c[nH]cc(Br)c1=O)[*:1]
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1cccc(c1)[*:1]
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 Cc1ccsc1[*:1] O=C(NCCc1cccc(c1)[N+](=O)[O-])[C@@H]1C[C@@H]1[*:1]
O=C(c1cc(-c2ccccc2)on1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cc(on1)-c1ccccc1)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
O=C(c1cc(-c2ccccc2)on1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc(on1)[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1
N#CCN(C(=O)CSCc1ccc(C#N)cc1)C1CCCC1 C1CCC(C1)[*:1] N#CCN(C(=O)CSCc1ccc(C#N)cc1)[*:1]
N#CCN(C(=O)CSCc1ccc(C#N)cc1)C1CCCC1 N#CC[*:1] N#Cc1ccc(cc1)CSCC(=O)N(C1CCCC1)[*:1]
O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21)NC1CCCCCC1 O=C(NC1CCCCCC1)[*:1] O=C(c1ccc2SCC(=O)N(C[*:1])c2c1)N1CCCCC1
O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21)NC1CCCCCC1 O=C(N1CCCCC1)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)[*:1])NC1CCCCCC1
O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)C(=O)N1CCCCC1)N[*:1]
COC(=O)[C@H]1Sc2nnc(CCC(=O)[O-])c(=O)n2N=C1C COC(=O)[*:1] CC1=Nn2c(nnc(CCC(=O)[O-])c2=O)S[C@@H]1[*:1]
COC(=O)[C@H]1Sc2nnc(CCC(=O)[O-])c(=O)n2N=C1C O=C([O-])C[*:1] COC(=O)[C@H]1Sc2nnc(C[*:1])c(=O)n2N=C1C
COC(=O)[C@H]1Sc2nnc(CCC(=O)[O-])c(=O)n2N=C1C O=C([O-])[*:1] COC(=O)[C@H]1Sc2nnc(CC[*:1])c(=O)n2N=C1C
COC(=O)[C@H]1Sc2nnc(CCC(=O)[O-])c(=O)n2N=C1C O=C([O-])CC[*:1] COC(=O)[C@H]1Sc2nnc(c(=O)n2N=C1C)[*:1]
C[NH+]1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)ncn2)CC1 Fc1ccc(cc1F)[*:1] C[NH+]1CCN(CC1)c1cc(ncn1)N1CCN(CC1)S(=O)(=O)[*:1]
CCC(CC)C(O)(C(=O)[O-])C(CC)CC CCC(CC)[*:1] CCC(CC)C(O)(C(=O)[O-])[*:1]
CCC(CC)C(O)(C(=O)[O-])C(CC)CC O=C([O-])[*:1] CCC(CC)C(O)(C(CC)CC)[*:1]
CCN(CCC#N)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 N#CCC[*:1] CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1)[*:1]
CCN(CCC#N)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 N#CC[*:1] CCN(C[*:1])C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1
Cc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21
Cc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21
Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccc(C(C)C)cc1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)NC(=S)Nc1ccc(cc1)C(C)C)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccc(C(C)C)cc1 CC(C)c1ccc(cc1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)N[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccc(C(C)C)cc1 CC(C)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccc(cc1)[*:1]
COC1CCN(C(=O)CCCNC(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] COC1CCN(CC1)C(=O)CCCNC(=O)[*:1]
N#Cc1ccc(NCCOc2ccccc2)cc1N c1ccc(cc1)[*:1] N#Cc1ccc(cc1N)NCCO[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1
Cc1ccccc1NC(=O)Cc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)c(C)s1 Cc1ccccc1[*:1] Cc1sc(CC(=O)N[*:1])nc1-c1ccc(cc1)[N-]S(C)(=O)=O
Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H](OC(=O)C1CCN(CC1)S(=O)(=O)[*:1])C(=O)Nc1ccc2OCOc2c1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1 c1cc2OCOc2cc1[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)O[C@@H](C)C(=O)N[*:1]
Cn1cc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1C(N)=O O=C([O-])[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N[C@@H]1C=C[C@@H](C1)[*:1]
Cn1cc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1C(N)=O NC(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)N[C@@H]1C=C[C@H](C1)C(=O)[O-]
CCOc1ccccc1/C=N/NC(=S)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCOc1ccccc1/C=N/NC(=S)N[*:1]
CCOc1ccccc1/C=N/NC(=S)Nc1cccc(Cl)c1 CCO[*:1] S=C(N/N=C/c1ccccc1[*:1])Nc1cccc(Cl)c1
CC[C@@H](C)/C([O-])=N/S(=O)(=O)CCCF CC[C@@H](C)[*:1] O=S(=O)(CCCF)/N=C(\[O-])[*:1]
CC[C@@H](C)/C([O-])=N/S(=O)(=O)CCCF FCC[*:1] CC[C@@H](C)/C([O-])=N/S(=O)(=O)C[*:1]
CC[C@@H](C)/C([O-])=N/S(=O)(=O)CCCF FCCC[*:1] CC[C@@H](C)/C([O-])=N/S(=O)(=O)[*:1]
CCOc1ccc(N)c(SCC(=O)N2CCCCCC2)c1 CCO[*:1] Nc1ccc(cc1SCC(=O)N1CCCCCC1)[*:1]
N#Cc1ccc(N[C@H]2CCC[C@H](C3CC3)C2)nc1 C1CC1[*:1] N#Cc1ccc(nc1)N[C@H]1CCC[C@H](C1)[*:1]
COC(=O)[C@@H]1CN(C(=O)Nc2cncc3ccccc23)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)Nc1cncc2ccccc12
C[C@H]1CN(C(=O)[C@@H](C)n2cncn2)[C@@H](C)CN1C(=O)OC(C)(C)C c1ncn(n1)[*:1] C[C@H]1CN(C(=O)[C@@H](C)[*:1])[C@@H](C)CN1C(=O)OC(C)(C)C
C[C@H]1CN(C(=O)[C@@H](C)n2cncn2)[C@@H](C)CN1C(=O)OC(C)(C)C C[C@@H](n1cncn1)[*:1] C[C@H]1CN(C(=O)[*:1])[C@@H](C)CN1C(=O)OC(C)(C)C
C[C@H]1CN(C(=O)[C@@H](C)n2cncn2)[C@@H](C)CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(C(=O)[C@@H](C)n2cncn2)[C@@H](C)CN1C(=O)O[*:1]
Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3n2)cc1 CN1CCN(CC1)C(=O)[*:1] Cc1ccc(cc1)-c1cc(n2nc(cc2n1)[*:1])C(F)(F)F
Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3n2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1cc(n2nc(cc2n1)C(=O)N1CCN(C)CC1)[*:1]
Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3n2)cc1 Cc1ccc(cc1)[*:1] CN1CCN(CC1)C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)NCc2nccc3ccccc23)CC1 CC(C)(C)[*:1] O=C(NCc1nccc2ccccc12)C1CCN(CC1)C(=O)[*:1]
CC(=O)c1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1 CC(=O)[*:1] Cc1cc(cc(C)c1Cl)OCCCC(=O)Nc1ccc(cc1)[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCOC[C@@H]3C)c12 C1CC1[*:1] Cc1nn(C)c2nc(cc(C(=O)N3CCOC[C@@H]3C)c12)[*:1]
C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1CO)c1ccc(S(=O)(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1CO)c1ccc(cc1)S(=O)(=O)[*:1]
C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1CO)c1ccc(S(=O)(=O)C2CCCC2)cc1 O=S(=O)(C1CCCC1)[*:1] C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1CO)c1ccc(cc1)[*:1]
Cc1nn(-c2ccccc2)cc1CNc1cncc(-c2nncn2C)c1 Cn1cnnc1[*:1] Cc1nn(cc1CNc1cncc(c1)[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)cc1CNc1cncc(-c2nncn2C)c1 c1ccc(cc1)[*:1] Cc1nn(cc1CNc1cncc(c1)-c1nncn1C)[*:1]
CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)[*:1]
CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(Cl)s1 c1cc(ccn1)[*:1] CC[C@@H](N(C)C(=O)N[C@@H](C)c1ccc(Cl)s1)[*:1]
CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3C(C)=O)ccc12 CCC[*:1] CC(=O)c1ccccc1NC(=O)COc1ccc2c(cc(=O)oc2c1)[*:1]
CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3C(C)=O)ccc12 CC(=O)c1ccccc1[*:1] CCCc1cc(=O)oc2cc(ccc12)OCC(=O)N[*:1]
CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3C(C)=O)ccc12 CC(=O)[*:1] CCCc1cc(=O)oc2cc(ccc12)OCC(=O)Nc1ccccc1[*:1]
C[NH2+][C@H](c1cc(OC)cc(OC)c1)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] C[NH2+][C@H](c1cc(cc(c1)OC)OC)[C@@H](C)[*:1]
O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)CS[*:1] O=C(Nc1nnc(s1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1nnc(SC[*:1])s1)[C@H]1CC(=O)N(C1)c1ccccc1
O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Nc1nnc(S[*:1])s1)[C@H]1CC(=O)N(C1)c1ccccc1
O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CC(=O)N(C1)[*:1]
O=C(CNC(=O)c1cccc(F)c1)OCc1cc(=O)n2cc(Br)ccc2n1 Fc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])OCc1cc(=O)n2cc(Br)ccc2n1
COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)[C@H]3COCCN32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1[C@@H]1NC(=O)[C@H]2COCCN21)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)[C@H]3COCCN32)cc1 COc1ccc(cc1)[*:1] O=C1N[C@@H](c2cn(nc2[*:1])-c2ccccc2)N2CCOC[C@H]12
CC[C@H](Oc1cc(C)ccc1Cl)C(=O)Cl O=C(Cl)[*:1] CC[C@H](Oc1cc(C)ccc1Cl)[*:1]
CSCc1cc(F)ccc1C[NH2+]Cc1csc(C2CC2)n1 C1CC1[*:1] CSCc1cc(F)ccc1C[NH2+]Cc1csc(n1)[*:1]
CSCc1cc(F)ccc1C[NH2+]Cc1csc(C2CC2)n1 CSC[*:1] Fc1ccc(C[NH2+]Cc2csc(n2)C2CC2)c(c1)[*:1]
COc1ccc([C@@H]2CCCCCN2C(=O)Cn2ccccc2=O)cc1 COc1ccc(cc1)[*:1] O=C(Cn1ccccc1=O)N1CCCCC[C@H]1[*:1]
COc1ccc([C@@H]2CCCCCN2C(=O)Cn2ccccc2=O)cc1 O=c1ccccn1C[*:1] COc1ccc(cc1)[C@@H]1CCCCCN1C(=O)[*:1]
COc1ccc([C@@H]2CCCCCN2C(=O)Cn2ccccc2=O)cc1 O=c1ccccn1[*:1] COc1ccc(cc1)[C@@H]1CCCCCN1C(=O)C[*:1]
Cc1cccc([C@H](CNC(=O)c2c[nH]nc2-c2ccccc2)N2CCOCC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)[C@H](CNC(=O)c1c[nH]nc1[*:1])N1CCOCC1
Cc1cccc([C@H](CNC(=O)c2c[nH]nc2-c2ccccc2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1c[nH]nc1-c1ccccc1
Cc1cccc([C@H](CNC(=O)c2c[nH]nc2-c2ccccc2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@H](CNC(=O)c1c[nH]nc1-c1ccccc1)[*:1]
O=C(c1ccc(S(=O)(=O)Cc2cc(F)ccc2F)c([N+](=O)[O-])c1)N1CCCCC1 O=[N+]([O-])[*:1] O=C(c1ccc(c(c1)[*:1])S(=O)(=O)Cc1cc(F)ccc1F)N1CCCCC1
O=C(c1ccc(S(=O)(=O)Cc2cc(F)ccc2F)c([N+](=O)[O-])c1)N1CCCCC1 Fc1ccc(F)c(c1)C[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)[*:1])N1CCCCC1
O=C(c1ccc(S(=O)(=O)Cc2cc(F)ccc2F)c([N+](=O)[O-])c1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=[N+]([O-])c1cc(ccc1S(=O)(=O)Cc1cc(F)ccc1F)[*:1]
O=C(c1ccc(S(=O)(=O)Cc2cc(F)ccc2F)c([N+](=O)[O-])c1)N1CCCCC1 Fc1ccc(F)c(c1)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)C[*:1])N1CCCCC1
CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)ccc1F CNS(=O)(=O)[*:1] C[C@H]1CCN(C(=O)c2ccc(F)c(c2)[*:1])[C@@H]2CCCC[C@H]12
O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[C@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[C@@H]1[*:1]
COc1ccc([C@@H]2CN(C(=O)C3CC3)C[C@@H]2C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1[*:1])C(=O)C1CC1
COc1ccc([C@@H]2CN(C(=O)C3CC3)C[C@@H]2C(=O)N2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(C1CC1)N1C[C@H](C(=O)N2CCCC2)[C@@H](C1)[*:1]
COc1ccc([C@@H]2CN(C(=O)C3CC3)C[C@@H]2C(=O)N2CCCC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@@H]1C(=O)N1CCCC1)C(=O)[*:1]
O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1ccon1 c1cc(no1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)[N-]c1nccs1)[*:1]
Cc1ccc(OCC(=O)N/N=C/C=C/c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(OCC(=O)N/N=C/C=C[*:1])c(C)c1
COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccnc1Cl)CC2 Clc1ncccc1[*:1] COCc1nc2CC[C@H](Cn2n1)[NH2+][C@@H](C)[*:1]
COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccnc1Cl)CC2 COC[*:1] C[C@H]([NH2+][C@@H]1CCc2nc(nn2C1)[*:1])c1cccnc1Cl
CC(=O)N1CCN(C(=O)[C@@H](Sc2nc3ccccc3[nH]2)C(C)C)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H](Sc1nc2ccccc2[nH]1)[*:1]
COC(=O)CC1(CS(=O)(=O)N2CCC[C@H]2c2cc(C)cc(C)c2)CC1 COC(=O)C[*:1] Cc1cc(C)cc(c1)[C@@H]1CCCN1S(=O)(=O)CC1(CC1)[*:1]
COC(=O)CC1(CS(=O)(=O)N2CCC[C@H]2c2cc(C)cc(C)c2)CC1 COC(=O)[*:1] Cc1cc(C)cc(c1)[C@@H]1CCCN1S(=O)(=O)CC1(CC1)C[*:1]
COC(=O)CC1(CS(=O)(=O)N2CCC[C@H]2c2cc(C)cc(C)c2)CC1 Cc1cc(C)cc(c1)[*:1] COC(=O)CC1(CC1)CS(=O)(=O)N1CCC[C@@H]1[*:1]
COC(=O)CC1(CS(=O)(=O)N2CCC[C@H]2c2cc(C)cc(C)c2)CC1 COC(=O)CC1(CC1)[*:1] Cc1cc(C)cc(c1)[C@@H]1CCCN1S(=O)(=O)C[*:1]
C#CCSc1nnc(NC(=O)Nc2ccc(F)cc2)s1 C#CCS[*:1] O=C(Nc1ccc(F)cc1)Nc1nnc(s1)[*:1]
C#CCSc1nnc(NC(=O)Nc2ccc(F)cc2)s1 C#CC[*:1] O=C(Nc1ccc(F)cc1)Nc1nnc(S[*:1])s1
CC(=O)Nc1ccc(-c2csc(NC(C)=O)n2)c(F)c1 CC(=O)N[*:1] CC(=O)Nc1nc(cs1)-c1ccc(cc1F)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(C)=O)n2)c(F)c1 CC(=O)N[*:1] CC(=O)Nc1ccc(-c2csc(n2)[*:1])c(F)c1
CCCC(=O)NNC(=O)c1c([O-])n(CCC)c2ccccc2c1=O CCC[*:1] CCCC(=O)NNC(=O)c1c([O-])n(c2ccccc2c1=O)[*:1]
CCCC(=O)NNC(=O)c1c([O-])n(CCC)c2ccccc2c1=O CCC[*:1] CCCn1c([O-])c(C(=O)NNC(=O)[*:1])c(=O)c2ccccc21
CCOc1cc(C(=O)N2CCCc3ccccc32)cc(OCC)c1OCC CCO[*:1] CCOc1cc(cc(OCC)c1[*:1])C(=O)N1CCCc2ccccc21
CCOc1cc(C(=O)N2CCCc3ccccc32)cc(OCC)c1OCC CCO[*:1] CCOc1cc(cc(c1OCC)[*:1])C(=O)N1CCCc2ccccc21
O=C(Nc1ccnn1Cc1cccs1)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1Cc1cccs1)C1CCC(=O)N(N=1)[*:1]
O=C(Nc1ccnn1Cc1cccs1)C1=NN(c2ccccc2)C(=O)CC1 c1csc(c1)C[*:1] O=C(Nc1ccnn1[*:1])C1CCC(=O)N(N=1)c1ccccc1
O=C(Nc1ccnn1Cc1cccs1)C1=NN(c2ccccc2)C(=O)CC1 c1csc(c1)[*:1] O=C(Nc1ccnn1C[*:1])C1CCC(=O)N(N=1)c1ccccc1
O=C(/C=C/SCc1ccco1)N1CCc2[nH]ncc2C1 c1coc(c1)[*:1] O=C(/C=C/SC[*:1])N1CCc2[nH]ncc2C1
O=C(/C=C/SCc1ccco1)N1CCc2[nH]ncc2C1 c1coc(c1)C[*:1] O=C(/C=C/S[*:1])N1CCc2[nH]ncc2C1
Cc1c(NC(=O)c2ncccc2OCC(F)(F)F)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)c1ncccc1OCC(F)(F)F
Cc1c(NC(=O)c2ncccc2OCC(F)(F)F)cccc1[N+](=O)[O-] FC(F)(F)C[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)c1ncccc1O[*:1]
Cc1c(NC(=O)c2ncccc2OCC(F)(F)F)cccc1[N+](=O)[O-] FC(F)(F)CO[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)c1ncccc1[*:1]
Cc1c(NC(=O)c2ncccc2OCC(F)(F)F)cccc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)c1ncccc1OC[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2[nH+]c3ccccc3n2C)cc1 Cc1ccc(cc1)[*:1] Cn1c(/N=C/c2ccccc2[N-]S(=O)(=O)[*:1])[nH+]c2ccccc21
Cc1c(C(=O)NC[C@H](C)C(=O)OC(C)C)oc2c1C(=O)CC(C)(C)C2 CC(C)OC(=O)[C@@H](C)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)NC[*:1]
Cc1c(C(=O)NC[C@H](C)C(=O)OC(C)C)oc2c1C(=O)CC(C)(C)C2 CC(C)OC(=O)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)NC[C@H](C)[*:1]
Cc1c(C(=O)NC[C@H](C)C(=O)OC(C)C)oc2c1C(=O)CC(C)(C)C2 CC(C)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)NC[C@H](C)C(=O)O[*:1]
CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2cc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O c1cc2OCOc2cc1[*:1] CCc1cc2c(=O)c(c(C)oc2cc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2ncccn2)CC1 c1cnc(nc1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CC1)O[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2ncccn2)CC1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)N1CCC(CC1)Oc1ncccn1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2ncccn2)CC1 c1cnc(nc1)O[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CC1)[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4onc(C)c34)C2)cc1 COc1ccc(cc1)[*:1] Cc1noc2ncnc(c12)N1CCC[C@H](C1)C(=O)NC[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4onc(C)c34)C2)cc1 COc1ccc(cc1)C[*:1] Cc1noc2ncnc(c12)N1CCC[C@H](C1)C(=O)N[*:1]
O=C(C[NH+](Cc1ccncc1)C1CC1)NCc1cc(F)cc(F)c1 c1cc(ccn1)C[*:1] O=C(C[NH+](C1CC1)[*:1])NCc1cc(F)cc(F)c1
O=C(C[NH+](Cc1ccncc1)C1CC1)NCc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C(C[NH+](Cc1ccncc1)C1CC1)NC[*:1]
O=C(C[NH+](Cc1ccncc1)C1CC1)NCc1cc(F)cc(F)c1 c1cc(ccn1)[*:1] O=C(C[NH+](C[*:1])C1CC1)NCc1cc(F)cc(F)c1
O=C(NC[C@H]1CCCO1)c1csc(Nc2ncccn2)n1 c1cnc(nc1)[*:1] O=C(NC[C@H]1CCCO1)c1csc(n1)N[*:1]
O=C(NC[C@H]1CCCO1)c1csc(Nc2ncccn2)n1 C1CO[C@H](C1)C[*:1] O=C(N[*:1])c1csc(n1)Nc1ncccn1
O=C(NC[C@H]1CCCO1)c1csc(Nc2ncccn2)n1 c1cnc(nc1)N[*:1] O=C(NC[C@H]1CCCO1)c1csc(n1)[*:1]
O=C(NC[C@H]1CCCO1)c1csc(Nc2ncccn2)n1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])c1csc(n1)Nc1ncccn1
CC(C)NC(=O)CC[NH2+]Cc1cccc(O)c1 CC(C)[*:1] O=C(CC[NH2+]Cc1cccc(O)c1)N[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](n2cccn2)C1 c1cnn(c1)[*:1] COc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
CCCC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 CCC[*:1] O=C(Nc1ccc(F)c(Cl)c1)c1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 CCCC(=O)N[*:1] O=C(Nc1ccc(F)c(Cl)c1)c1cccc(c1)[*:1]
CN(C)C(=O)c1cc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)ccc1F CN(C)C(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])[C@H]1CCCN(C1)C(=O)C1CC1
CN(C)C(=O)c1cc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)ccc1F C1CC1[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)C[*:1])Nc1ccccc1C(=O)NC1CCCCC1
O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 c1ccc(cc1)C[*:1] O=C(CS(=O)(=O)[*:1])Nc1ccccc1C(=O)NC1CCCCC1
O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)N[*:1]
O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1[*:1]
COC[C@H](C)NC(=O)NCCNC(=O)c1ccc(Br)cc1 COC[C@H](C)[*:1] O=C(NCCNC(=O)c1ccc(Br)cc1)N[*:1]
COC[C@H](C)NC(=O)NCCNC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COC[C@H](C)NC(=O)NCCNC(=O)[*:1]
COC[C@H](C)NC(=O)NCCNC(=O)c1ccc(Br)cc1 COC[*:1] C[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N1CCN(CC1)c1nnnn1[*:1]
C[C@H]1Cc2ccccc2N1Cc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2N1Cc1ncc(o1)[*:1]
N#CCN(C(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 c1ccc(cc1)[*:1] N#CCN(C(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2)[*:1]
N#CCN(C(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 N#CC[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)OCC(=O)N(c1ccccc1)[*:1]
CC(C)c1cnc(-c2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)o1 CC(C)[*:1] O=C(Nc1ccc(cc1)-c1ncc(o1)[*:1])c1cccc2cc[nH]c12
CC(C)c1cnc(-c2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)o1 CC(C)c1cnc(o1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc2cc[nH]c12
C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1)C(N)=O C[C@H](C(N)=O)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1)C(N)=O NC(=O)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)[*:1]
Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)C1CCCCC1
Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)C1CCCCC1
Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCCc1nc(C(=O)N(C)CC(F)(F)F)n[nH]1 CCC[*:1] CN(CC(F)(F)F)C(=O)c1n[nH]c(n1)[*:1]
CCCc1nc(C(=O)N(C)CC(F)(F)F)n[nH]1 FC(F)(F)C[*:1] CCCc1nc(n[nH]1)C(=O)N(C)[*:1]
CCCc1nc(C(=O)N(C)CC(F)(F)F)n[nH]1 FC(F)(F)[*:1] CCCc1nc(n[nH]1)C(=O)N(C)C[*:1]
Cc1cccc(C2=CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H](NS(C)(=O)=O)C(=O)N1CC=C(CC1)[*:1]
Cc1cccc(C2=CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC2)c1 CS(=O)(=O)N[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)[C@@H](C)[*:1]
C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)C[C@@H]1O Clc1ccc(nn1)O[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)C[C@@H]1O Clc1ccc(nn1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(C#N)cc1NC(=O)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)C[*:1] Cc1ccc(C#N)cc1NC(=O)N(C[*:1])C1CCCC1
Cc1ccc(C#N)cc1NC(=O)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)[*:1] Cc1ccc(C#N)cc1NC(=O)N(CC[*:1])C1CCCC1
Cc1ccc(C#N)cc1NC(=O)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)CC[*:1] Cc1ccc(C#N)cc1NC(=O)N(C1CCCC1)[*:1]
Cc1ccc(C#N)cc1NC(=O)N(CCC(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] Cc1ccc(C#N)cc1NC(=O)N(CCC(F)(F)F)[*:1]
Cn1ccc(NC(=O)C(=O)N2CC[C@@H]3CCCC[C@H]32)n1 Cn1ccc(n1)[*:1] O=C(N[*:1])C(=O)N1CC[C@@H]2CCCC[C@H]21
COc1cccc(C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)n1 COc1cccc(n1)[*:1] O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)[*:1]
COc1cccc(C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)n1 Fc1ccc(cc1F)[*:1] COc1cccc(n1)C(=O)NC[C@@H](O)CO[*:1]
Cc1cnn(-c2ccc(NC(=O)N3CCN(CCO)CC3)cc2F)c1 Cc1cnn(c1)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])N1CCN(CCO)CC1
Cc1cnn(-c2ccc(NC(=O)N3CCN(CCO)CC3)cc2F)c1 OCC[*:1] Cc1cnn(c1)-c1ccc(cc1F)NC(=O)N1CCN(CC1)[*:1]
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)CC4OCCO4)[C@H]3C[C@@H]12 C1COC(C[*:1])O1 C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)[*:1])[C@H]3C[C@@H]12
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)CC4OCCO4)[C@H]3C[C@@H]12 C1COC(O1)[*:1] C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[*:1])[C@H]3C[C@@H]12
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)CC4OCCO4)[C@H]3C[C@@H]12 CN(CC1OCCO1)[*:1] C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[*:1])[C@H]3C[C@@H]12
COc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCCCCC1 c1csc(c1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)N1CCC[C@@H]1[*:1]
COc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCCCCC1 O=S(=O)(N1CCCCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)N1CCC[C@H]1c1cccs1
Cc1n[nH]c2ncc(NC(=O)NCc3cccc(Cn4ccnc4)c3)cc12 c1cn(cn1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NCc1cccc(c1)C[*:1]
Cc1n[nH]c2ncc(NC(=O)NCc3cccc(Cn4ccnc4)c3)cc12 c1cn(cn1)C[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NCc1cccc(c1)[*:1]
Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cncn2-c2ccc(F)cc2)n1 Cc1[nH]c2ccccc2c1[*:1] O=C(Nc1nc(cs1)[*:1])c1cncn1-c1ccc(F)cc1
Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cncn2-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1[nH]c2ccccc2c1-c1csc(n1)NC(=O)c1cncn1[*:1]
N#CCc1ccc(NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)cc1 N#CC[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CC(=O)N(CC2CC2)C1
N#CCc1ccc(NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)cc1 C1CC1[*:1] N#CCc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
N#CCc1ccc(NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)cc1 C1CC1C[*:1] N#CCc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC1(C)C(CN2CC(=O)NC3(CCCCC3)C2=O)C1(C)C CC1(C)C(C1(C)C)[*:1] O=C1CN(C[*:1])C(=O)C2(CCCCC2)N1
C[NH+](C)CCN1C[C@H](C(=O)N2CCN(c3ncccn3)CC2)CC1=O c1cnc(nc1)[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
C=CCc1cc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc(OC)c1OC C=CC[*:1] COc1cc(cc(c1OC)[*:1])C(=O)Nc1ncc(cc1Cl)C(F)(F)F
C=CCc1cc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc(OC)c1OC FC(F)(F)[*:1] C=CCc1cc(cc(OC)c1OC)C(=O)Nc1ncc(cc1Cl)[*:1]
Cc1occc1C(=O)NC1CCN(c2ccccc2S(C)(=O)=O)CC1 Cc1occc1[*:1] CS(=O)(=O)c1ccccc1N1CCC(CC1)NC(=O)[*:1]
Cc1occc1C(=O)NC1CCN(c2ccccc2S(C)(=O)=O)CC1 CS(=O)(=O)[*:1] Cc1occc1C(=O)NC1CCN(CC1)c1ccccc1[*:1]
c1ccc(CC[NH+]2CCOc3nc4cc5c(cc4cc3C2)OCO5)cc1 c1ccc(cc1)CC[*:1] c1c2C[NH+](CCOc2nc2cc3OCOc3cc12)[*:1]
c1ccc(CC[NH+]2CCOc3nc4cc5c(cc4cc3C2)OCO5)cc1 c1ccc(cc1)[*:1] c1c2C[NH+](CCOc2nc2cc3OCOc3cc12)CC[*:1]
c1ccc(CC[NH+]2CCOc3nc4cc5c(cc4cc3C2)OCO5)cc1 c1ccc(cc1)C[*:1] c1c2C[NH+](CCOc2nc2cc3OCOc3cc12)C[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCCc2ccc(F)cc21 Cc1noc(C)c1C[*:1] C[C@@H](NC(=O)N[C@@H]1CCCc2ccc(F)cc21)[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCCc2ccc(F)cc21 Cc1noc(C)c1[*:1] C[C@H](C[*:1])NC(=O)N[C@@H]1CCCc2ccc(F)cc21
CCCN(CCO)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 OCC[*:1] CCCN(C(=O)N[C@@H]1CCC[C@H](C1)C(F)(F)F)[*:1]
CCCN(CCO)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 CCC[*:1] O=C(N[C@@H]1CCC[C@H](C1)C(F)(F)F)N(CCO)[*:1]
CCCN(CCO)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] CCCN(CCO)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
CCNC(=O)c1cccc(CNC(=O)NCCNC(C)=O)c1 CC(=O)NCC[*:1] CCNC(=O)c1cccc(c1)CNC(=O)N[*:1]
CCNC(=O)c1cccc(CNC(=O)NCCNC(C)=O)c1 CC(=O)N[*:1] CCNC(=O)c1cccc(c1)CNC(=O)NCC[*:1]
CCNC(=O)c1cccc(CNC(=O)NCCNC(C)=O)c1 CC(=O)NC[*:1] CCNC(=O)c1cccc(c1)CNC(=O)NC[*:1]
CCNC(=O)c1cccc(CNC(=O)NCCNC(C)=O)c1 CCNC(=O)[*:1] CC(=O)NCCNC(=O)NCc1cccc(c1)[*:1]
O=S(=O)(c1ccccc1)N1CCO[C@H](c2nc(-c3ccccn3)no2)C1 c1ccc(cc1)[*:1] O=S(=O)(N1CCO[C@@H](C1)c1nc(no1)-c1ccccn1)[*:1]
O=S(=O)(c1ccccc1)N1CCO[C@H](c2nc(-c3ccccn3)no2)C1 c1ccc(nc1)[*:1] O=S(=O)(c1ccccc1)N1CCO[C@@H](C1)c1nc(no1)[*:1]
CCOCc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 CCO[*:1] O=C(NCc1ccccc1C[*:1])N1CC[C@H](C1)[NH+]1CCCC1
CCOCc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 CCOC[*:1] O=C(NCc1ccccc1[*:1])N1CC[C@H](C1)[NH+]1CCCC1
CCCNC(=O)c1cccc(C(=O)NNC(=O)c2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] CCCNC(=O)c1cccc(c1)C(=O)NNC(=O)[*:1]
CCCNC(=O)c1cccc(C(=O)NNC(=O)c2cccc(C#N)c2)c1 CCCNC(=O)[*:1] N#Cc1cccc(c1)C(=O)NNC(=O)c1cccc(c1)[*:1]
CCCNC(=O)c1cccc(C(=O)NNC(=O)c2cccc(C#N)c2)c1 CCC[*:1] N#Cc1cccc(c1)C(=O)NNC(=O)c1cccc(c1)C(=O)N[*:1]
Nc1ccc(C(=O)NC2COC2)cc1 C1OCC1[*:1] Nc1ccc(cc1)C(=O)N[*:1]
C[C@H]1C[C@@H]1[C@H](O)[C@@H]1CCCc2cccnc21 C[C@H]1C[C@H]1[*:1] O[C@H]([C@@H]1CCCc2cccnc21)[*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]CCc2nccs2)C1 CC(C)(C)[*:1] O=C(N[C@@H]1CC[C@H](C1)[NH2+]CCc1nccs1)O[*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]CCc2nccs2)C1 c1csc(n1)[*:1] CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+]CC[*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]CCc2nccs2)C1 c1csc(C[*:1])n1 CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+]C[*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]CCc2nccs2)C1 c1csc(CC[*:1])n1 CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+][*:1]
C[C@]1([C@H](O)c2cccc(OC(F)(F)F)c2)CCCO1 FC(F)(F)O[*:1] C[C@@]1(CCCO1)[C@H](O)c1cccc(c1)[*:1]
C[C@]1([C@H](O)c2cccc(OC(F)(F)F)c2)CCCO1 FC(F)(F)[*:1] C[C@@]1(CCCO1)[C@H](O)c1cccc(c1)O[*:1]
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc2ccccc2c1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)[C@H](NC(=O)c1ccco1)[*:1])c1ccc2ccccc2c1
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@H](C[*:1])NC(=O)c1ccco1)c1ccc2ccccc2c1
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc2ccccc2c1 c1coc(c1)[*:1] C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[*:1])c1ccc2ccccc2c1
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc2ccccc2c1 O=C(N[*:1])c1ccco1 C[C@@H](NC(=O)[C@H](Cc1ccccc1)[*:1])c1ccc2ccccc2c1
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)[*:1]
O=C([O-])c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])[C@@H]1CC=CC[C@H]1C(=O)N[*:1]
O=C([O-])c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] O=C([O-])c1ccc(cc1)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(c1)[*:1]
O=C([O-])c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C([O-])c1ccc(cc1)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[*:1]
O=C([O-])c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(c1)[N+](=O)[O-]
CCC(=O)NCC(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)O[*:1] CCC(=O)NCC(=O)Nc1ccc(cc1)C[*:1]
CCC(=O)NCC(=O)Nc1ccc(COC(C)(C)C)cc1 CCC(=O)NC[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)[*:1]
CCC(=O)NCC(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)OC[*:1] CCC(=O)NCC(=O)Nc1ccc(cc1)[*:1]
CCC(=O)NCC(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)[*:1] CCC(=O)NCC(=O)Nc1ccc(cc1)CO[*:1]
CCC(=O)NCC(=O)Nc1ccc(COC(C)(C)C)cc1 CCC(=O)N[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)C[*:1]
CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)c1cccc(c1)[N+](=O)[O-]
CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] CCN(C(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCN(Cc1ccccc1)C(=O)c1cccc(c1)[*:1]
CCOc1ncccc1N[C@H]1CSCC(C)(C)C1 CCO[*:1] CC1(C)CSC[C@@H](C1)Nc1cccnc1[*:1]
CC1(C)C[C@@H](NCc2cccnc2OCC(F)F)c2ccc(F)cc2O1 FC(F)[*:1] CC1(C)C[C@@H](NCc2cccnc2OC[*:1])c2ccc(F)cc2O1
CC1(C)C[C@@H](NCc2cccnc2OCC(F)F)c2ccc(F)cc2O1 FC(F)CO[*:1] CC1(C)C[C@@H](NCc2cccnc2[*:1])c2ccc(F)cc2O1
CC1(C)C[C@@H](NCc2cccnc2OCC(F)F)c2ccc(F)cc2O1 FC(F)C[*:1] CC1(C)C[C@@H](NCc2cccnc2O[*:1])c2ccc(F)cc2O1
CC(C)CCNC(=O)c1cc2occc2n1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)CCNC(=O)c1cc2occc2n1[*:1]
CC(C)CCNC(=O)c1cc2occc2n1Cc1ccccc1 CC(C)[*:1] O=C(NCC[*:1])c1cc2occc2n1Cc1ccccc1
CC(C)CCNC(=O)c1cc2occc2n1Cc1ccccc1 CC(C)CC[*:1] O=C(N[*:1])c1cc2occc2n1Cc1ccccc1
CC(C)CCNC(=O)c1cc2occc2n1Cc1ccccc1 CC(C)C[*:1] O=C(NC[*:1])c1cc2occc2n1Cc1ccccc1
CC(C)CCNC(=O)c1cc2occc2n1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)CCNC(=O)c1cc2occc2n1C[*:1]
C[C@@H](NC(=O)Cn1cncn1)c1cccc(OCc2ccccn2)c1 c1ccc(CO[*:1])nc1 C[C@@H](NC(=O)Cn1cncn1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)Cn1cncn1)c1cccc(OCc2ccccn2)c1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)Cn1cncn1)c1cccc(c1)OC[*:1]
C[C@@H](NC(=O)Cn1cncn1)c1cccc(OCc2ccccn2)c1 c1ncn(C[*:1])n1 C[C@@H](NC(=O)[*:1])c1cccc(c1)OCc1ccccn1
C[C@@H](NC(=O)Cn1cncn1)c1cccc(OCc2ccccn2)c1 c1ccc(C[*:1])nc1 C[C@@H](NC(=O)Cn1cncn1)c1cccc(c1)O[*:1]
C[C@@H](NC(=O)Cn1cncn1)c1cccc(OCc2ccccn2)c1 c1ncn(n1)[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(c1)OCc1ccccn1
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1nccn2ccnc12 Clc1cccc(c1)[*:1] O=C(N[C@H]1CCN(C1)[*:1])c1nccn2ccnc12
Cc1c(F)cccc1NC(=O)NCc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)NCc1cnn(c1)[*:1]
Cc1c(F)cccc1NC(=O)NCc1cnn(-c2ccccc2)c1 Cc1c(F)cccc1[*:1] O=C(NCc1cnn(c1)-c1ccccc1)N[*:1]
Cc1ccc2c(c1)[C@H](Cc1nc3ccccc3c(=O)n1CCCO)C(=O)N2C OCCC[*:1] Cc1ccc2c(c1)[C@H](Cc1nc3ccccc3c(=O)n1[*:1])C(=O)N2C
Cc1ccc2c(c1)[C@H](Cc1nc3ccccc3c(=O)n1CCCO)C(=O)N2C OCC[*:1] Cc1ccc2c(c1)[C@H](Cc1nc3ccccc3c(=O)n1C[*:1])C(=O)N2C
CC[C@H](C)Oc1cccc(NC(=O)COc2ccccc2Cl)c1 Clc1ccccc1[*:1] CC[C@H](C)Oc1cccc(c1)NC(=O)CO[*:1]
CC[C@H](C)Oc1cccc(NC(=O)COc2ccccc2Cl)c1 CC[C@H](C)O[*:1] O=C(COc1ccccc1Cl)Nc1cccc(c1)[*:1]
CC[C@H](C)Oc1cccc(NC(=O)COc2ccccc2Cl)c1 CC[C@H](C)[*:1] O=C(COc1ccccc1Cl)Nc1cccc(c1)O[*:1]
c1ccc([C@H]2c3cccn3CCN2CCCCCn2cccn2)cc1 c1ccc(cc1)[*:1] c1cnn(c1)CCCCCN1CCn2cccc2[C@@H]1[*:1]
c1ccc([C@H]2c3cccn3CCN2CCCCCn2cccn2)cc1 c1cnn(c1)C[*:1] c1ccc(cc1)[C@H]1c2cccn2CCN1CCCC[*:1]
c1ccc([C@H]2c3cccn3CCN2CCCCCn2cccn2)cc1 c1cnn(c1)CCC[*:1] c1ccc(cc1)[C@H]1c2cccn2CCN1CC[*:1]
c1ccc([C@H]2c3cccn3CCN2CCCCCn2cccn2)cc1 c1cnn(c1)CC[*:1] c1ccc(cc1)[C@H]1c2cccn2CCN1CCC[*:1]
c1ccc([C@H]2c3cccn3CCN2CCCCCn2cccn2)cc1 c1cnn(c1)[*:1] c1ccc(cc1)[C@H]1c2cccn2CCN1CCCCC[*:1]
CNc1snc(C)c1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C c1ccc(cc1)C[*:1] CNc1snc(C)c1C(=O)NC[C@H]([NH+](C)C)[*:1]
CNc1snc(C)c1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] CNc1snc(C)c1C(=O)NC[C@H](C[*:1])[NH+](C)C
CN(CCc1cccs1)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 c1csc(c1)[*:1] CN(CC[*:1])S(=O)(=O)C[C@@H]1CCC[NH2+]C1
CN(CCc1cccs1)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 c1csc(c1)C[*:1] CN(C[*:1])S(=O)(=O)C[C@@H]1CCC[NH2+]C1
CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 c1ccc(cc1)[*:1] CC(C)n1cc[nH+]c1[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 CC(C)[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
N#Cc1ccc(/C=C/C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 O=C([O-])[*:1] N#Cc1ccc(/C=C/C(=O)N2C[C@@H](O)C[C@@H]2[*:1])cc1
CCSC[C@H](C)N(C)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CCSC[C@H](C)[*:1] CN(C(=O)N[C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CCSC[C@H](C)N(C)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCSC[C@H](C)N(C)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CCSC[C@H](C)N(C)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)N[C@@H]1CCC[C@@H](C1)S(C)(=O)=O
CCSC[C@H](C)N(C)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CCSC[*:1] C[C@H](N(C)C(=O)N[C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CCOc1ccc(/C=N/NC2=[NH+]CCCCC2)cc1 CCO[*:1] C(=N/NC1CCCCC[NH+]=1)\c1ccc(cc1)[*:1]
NC(=O)c1cc(Nc2ccc(Cl)c(Br)c2)c(F)cc1N NC(=O)[*:1] Nc1cc(F)c(cc1[*:1])Nc1ccc(Cl)c(Br)c1
CCCc1ccc(C(=O)N2CCC[C@@H](n3cnc4sc(C)c(CC)c4c3=O)C2)o1 CCCc1ccc(o1)[*:1] CCc1c(C)sc2ncn(c(=O)c12)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCc1ccc(C(=O)N2CCC[C@@H](n3cnc4sc(C)c(CC)c4c3=O)C2)o1 CCC[*:1] CCc1c(C)sc2ncn(c(=O)c12)[C@@H]1CCCN(C1)C(=O)c1ccc(o1)[*:1]
O=C([O-])CC1(CC(=O)Nc2ccc(F)cc2F)CCCCC1 O=C([O-])C[*:1] O=C(CC1(CCCCC1)[*:1])Nc1ccc(F)cc1F
O=C([O-])CC1(CC(=O)Nc2ccc(F)cc2F)CCCCC1 O=C([O-])[*:1] O=C(CC1(CCCCC1)C[*:1])Nc1ccc(F)cc1F
CN(CC[NH+](C)C)C(=O)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] CN(CC[NH+](C)C)C(=O)c1ccc(cc1)[*:1]
Nc1nnc(CCNC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)s1 Nc1nnc(s1)[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
Nc1nnc(CCNC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)s1 Nc1nnc(C[*:1])s1 O=C(NC[*:1])C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
Nc1nnc(CCNC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)s1 c1ccc(cc1)[*:1] Nc1nnc(CCNC(=O)C2CCN(CC2)C(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
Nc1nnc(CCNC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)s1 Nc1nnc(CC[*:1])s1 O=C(N[*:1])C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC(C)=O CC(=O)O[*:1] CCOc1ccc(cc1[*:1])[C@@H]1Nc2ccccc2NC2CC(C)(C)CC(=O)C=21
CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC(C)=O CCO[*:1] CC(=O)Oc1cc(ccc1[*:1])[C@@H]1Nc2ccccc2NC2CC(C)(C)CC(=O)C=21
C[C@@H](O)[C@@H](C)[NH2+]CCCS(C)(=O)=O C[C@@H](O)[*:1] C[C@@H]([NH2+]CCCS(C)(=O)=O)[*:1]
C[C@@H](O)[C@@H](C)[NH2+]CCCS(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](O)[C@@H](C)[NH2+]CCC[*:1]
Cc1ccc(NCC2(CC(C)C)CCCC2)c(N)c1 CC(C)[*:1] Cc1ccc(NCC2(CCCC2)C[*:1])c(N)c1
Cc1ccc(NCC2(CC(C)C)CCCC2)c(N)c1 CC(C)C[*:1] Cc1ccc(NCC2(CCCC2)[*:1])c(N)c1
Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)c1 N#CC[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccccc1S[C@H](C)[*:1]
O=C(c1cnccn1)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(c1cnccn1)N(Cc1cccs1)[*:1]
O=C(c1cnccn1)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(c1cnccn1)N(Cc1cccs1)C[*:1]
O=C(c1cnccn1)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)C[*:1] O=C(c1cnccn1)N(C[C@@H]1CCCO1)[*:1]
O=C(c1cnccn1)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)[*:1] O=C(c1cnccn1)N(C[C@@H]1CCCO1)C[*:1]
O=C(c1cnccn1)N(Cc1cccs1)C[C@@H]1CCCO1 c1cnc(cn1)[*:1] O=C(N(Cc1cccs1)C[C@@H]1CCCO1)[*:1]
O=C1CCN(C(=O)NCCCCC2CCCC2)CCN1 C1CCC(C1)C[*:1] O=C1CCN(CCN1)C(=O)NCCC[*:1]
O=C1CCN(C(=O)NCCCCC2CCCC2)CCN1 C1CCC(C1)[*:1] O=C1CCN(CCN1)C(=O)NCCCC[*:1]
CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)ccc21 c1ccc2sc(nc2c1)[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)C(=O)N1CCC[C@H]1[*:1]
COC(=O)[C@H](C)C[S@](=O)Cc1nc(C)c(C)s1 COC(=O)[*:1] Cc1nc(C[S@@](=O)C[C@@H](C)[*:1])sc1C
COc1ccc(OC)c([C@H](C)NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c1 COc1ccc(OC)c(c1)[*:1] C[C@H](NC(=O)c1ccc2c(=O)n3CCCCCCc3nc2c1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)[C@H](C(=O)NC1CC1)c1ccccc1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 O=C(NC1CC1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)[C@H](c1ccccc1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)[C@H](C(=O)NC1CC1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 COC(=O)C(C)(C)[*:1] O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 C1CC1[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)[C@H](C(=O)N[*:1])c1ccccc1
Cc1n[nH]c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccn1 Cc1n[nH]c(C)c1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccccn2)N1CCCN1CCOCC1
Cc1n[nH]c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccn1 Cc1n[nH]c(C)c1C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccccn2)N1CCCN1CCOCC1)[*:1]
Cc1n[nH]c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccn1 c1ccc(nc1)[*:1] Cc1n[nH]c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1[*:1]
Cc1n[nH]c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccn1 C1CN(CCO1)C[*:1] Cc1n[nH]c(C)c1C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccccn1
Cc1n[nH]c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccn1 C1CN(CCO1)CC[*:1] Cc1n[nH]c(C)c1C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccccn1
Cc1n[nH]c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccn1 C(CN1CCOCC1)C[*:1] Cc1n[nH]c(C)c1C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccccn1)[*:1]
Cc1n[nH]c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccn1 C1CN(CCO1)[*:1] Cc1n[nH]c(C)c1C(=O)C1=C([O-])C(=O)N(CCC[*:1])[C@@H]1c1ccccn1
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 O=[N+]([O-])[*:1] O=C(NC[C@@H](O)c1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NC[C@@H](O)[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 c1cc2OCCOc2cc1[*:1] O=C(NC[C@@H](O)c1ccc(cc1)[N+](=O)[O-])[C@H]1CC(=O)N(C1)[*:1]
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)[*:1]
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)c1ccc(F)cc1F COC(=O)[*:1] O=C(CCC(=O)c1ccc(F)cc1F)N[C@@H]1CCCC[C@H]1[*:1]
CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 c1cc(n[nH]1)[*:1] CCOC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(CNC(=O)NCc2ncoc2C)n1 Cc1ocnc1[*:1] Cc1cccc(CNC(=O)NC[*:1])n1
COc1cc2[nH]c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2c(OC)c1OC Fc1ccc(cc1)[*:1] COc1cc2[nH]c(cc2c(OC)c1OC)C(=O)N1CCN(CC1)[*:1]
COCc1ccc(CNC(=O)C[S@@](=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] COCc1ccc(cc1)CNC(=O)C[S@@](=O)[*:1]
COCc1ccc(CNC(=O)C[S@@](=O)c2ccccc2F)cc1 COC[*:1] O=C(C[S@@](=O)c1ccccc1F)NCc1ccc(cc1)[*:1]
CC(C)c1nc(NC(=O)N2CC[C@H](C)[C@H]2C)n(C)n1 CC(C)[*:1] C[C@H]1CCN(C(=O)Nc2nc(nn2C)[*:1])[C@@H]1C
CCn1ccnc1CN1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 CCn1ccnc1[*:1] O=C([C@@H]1CC=CCC1)N1CCCN(CC1)C[*:1]
COc1ccc(OC)c(NC(=O)CS[C@H]2N=C3N=NC(C)=C3C(=N)N2c2ccc(C)c(Cl)c2)c1 Cc1ccc(cc1Cl)[*:1] COc1ccc(OC)c(c1)NC(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1[*:1]
COc1ccc(OC)c(NC(=O)CS[C@H]2N=C3N=NC(C)=C3C(=N)N2c2ccc(C)c(Cl)c2)c1 COc1ccc(OC)c(c1)[*:1] CC1N=NC2=N[C@H](SCC(=O)N[*:1])N(C(=N)C=12)c1ccc(C)c(Cl)c1
O=C(/C=C/c1ccco1)NCC1(c2ccc(F)cc2)CC1 C(=C[*:1])c1ccco1 O=C(NCC1(CC1)c1ccc(F)cc1)[*:1]
O=C(/C=C/c1ccco1)NCC1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(/C=C/c1ccco1)NCC1(CC1)[*:1]
O=C(/C=C/c1ccco1)NCC1(c2ccc(F)cc2)CC1 c1coc(c1)[*:1] O=C(C=C[*:1])NCC1(CC1)c1ccc(F)cc1
CC(=O)c1cnc2nc(-c3ccco3)nn2c1/C=C/N(C)C c1coc(c1)[*:1] CC(=O)c1cnc2nc(nn2c1/C=C/N(C)C)[*:1]
CC(=O)c1cnc2nc(-c3ccco3)nn2c1/C=C/N(C)C CN(C)[*:1] CC(=O)c1cnc2nc(nn2c1C=C[*:1])-c1ccco1
CC(=O)c1cnc2nc(-c3ccco3)nn2c1/C=C/N(C)C CN(C)C=C[*:1] CC(=O)c1cnc2nc(nn2c1[*:1])-c1ccco1
CC(=O)c1cnc2nc(-c3ccco3)nn2c1/C=C/N(C)C CC(=O)[*:1] CN(C)/C=C/c1c(cnc2nc(nn12)-c1ccco1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(NC(C)C)c2)c1C CC(C)N[*:1] CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(c2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(NC(C)C)c2)c1C CC(C)[*:1] CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(c2)N[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(NC(C)C)c2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)NCc2cccc(c2)NC(C)C)c(C)c1[*:1]
COc1cc(C[NH2+]C(C)C)ccc1OCc1cccc(C)c1 CC(C)[*:1] COc1cc(ccc1OCc1cccc(C)c1)C[NH2+][*:1]
COc1cc(C[NH2+]C(C)C)ccc1OCc1cccc(C)c1 Cc1cccc(c1)[*:1] COc1cc(ccc1OC[*:1])C[NH2+]C(C)C
CC[C@@H](NS(=O)(=O)c1cnc(Cl)c(C)c1)C(=O)OC COC(=O)[*:1] CC[C@@H](NS(=O)(=O)c1cnc(Cl)c(C)c1)[*:1]
CCC[C@H]1Nc2ccc(Br)cc2C(=O)N1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H]1Nc2ccc(Br)cc2C(=O)N1NC(=O)[*:1]
CCC[C@H]1Nc2ccc(Br)cc2C(=O)N1NC(=O)c1ccccc1 CCC[*:1] O=C(NN1C(=O)c2cc(Br)ccc2N[C@@H]1[*:1])c1ccccc1
Cc1noc(C)c1CNc1cc(Cl)ccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1noc(C)c1CNc1cc(Cl)ccc1[*:1]
Cc1noc(C)c1CNc1cc(Cl)ccc1C(=O)N1CCCC1 Cc1noc(C)c1[*:1] O=C(c1ccc(Cl)cc1NC[*:1])N1CCCC1
Cc1cc2ncn(C[C@H](O)CSc3ncc(C(F)(F)F)cc3Cl)c2cc1C FC(F)(F)[*:1] Cc1cc2ncn(C[C@H](O)CSc3ncc(cc3Cl)[*:1])c2cc1C
CC[C@](C)([C@@H]([NH3+])CCc1cccs1)[NH+]1CCCCC1 c1csc(c1)[*:1] CC[C@](C)([C@@H]([NH3+])CC[*:1])[NH+]1CCCCC1
CC[C@](C)([C@@H]([NH3+])CCc1cccs1)[NH+]1CCCCC1 c1csc(c1)C[*:1] CC[C@](C)([C@@H]([NH3+])C[*:1])[NH+]1CCCCC1
COC(=O)[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H]1c2ccsc2CCN1S(=O)(=O)[*:1]
COC(=O)[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(F)cc1 COC(=O)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCc2sccc2[C@H]1[*:1]
CC[C@](C)(NC(=O)COc1ccccc1C)C(=O)OC COC(=O)[*:1] CC[C@](C)(NC(=O)COc1ccccc1C)[*:1]
COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 CC(=O)[*:1] COc1ccc(C)cc1S(=O)(=O)Nc1cccc(c1)[*:1]
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2(OC)CCOCC2)c1 CNS(=O)(=O)[*:1] COC1(CCOCC1)C[NH2+][C@@H](C)c1cccc(c1)[*:1]
O=C(C[NH2+]CC1CCC1)Nc1ccc(Br)cc1 C1CC(C1)C[*:1] O=C(C[NH2+][*:1])Nc1ccc(Br)cc1
O=C(C[NH2+]CC1CCC1)Nc1ccc(Br)cc1 C1CC(C1)[*:1] O=C(C[NH2+]C[*:1])Nc1ccc(Br)cc1
CN(Cc1nc[nH]n1)S(=O)(=O)c1ccc(CC#N)cc1 N#CC[*:1] CN(Cc1nc[nH]n1)S(=O)(=O)c1ccc(cc1)[*:1]
CNC(=O)C1CC[NH+](CCOc2cc(C)ccc2C)CC1 CNC(=O)[*:1] Cc1ccc(C)c(c1)OCC[NH+]1CCC(CC1)[*:1]
CSc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)o2)cc1F Cc1ccc(o1)[*:1] CSc1ccc(cc1F)NC(=O)C(=O)N[C@@H](C)[*:1]
CC(=O)NNCn1c(=O)n(CNNC(C)=O)c2ccccc21 CC(=O)NNC[*:1] CC(=O)NNCn1c(=O)n(c2ccccc21)[*:1]
CC(=O)NNCn1c(=O)n(CNNC(C)=O)c2ccccc21 CC(=O)NN[*:1] CC(=O)NNCn1c(=O)n(C[*:1])c2ccccc21
C=CCn1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c2nn(-c3ccccc3)c(=O)c-2c1 C=CC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1cn(cc2-c1nn(-c1ccccc1)c2=O)[*:1]
C=CCn1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] C=CCn1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c2nn(c(=O)c-2c1)[*:1]
C[C@@H](O/N=C(/N)Cc1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] C[C@@H](O/N=C(/N)Cc1cccnc1)C(=O)N[*:1]
C[C@@H](O/N=C(/N)Cc1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1 c1cncc(c1)C[*:1] C[C@@H](O/N=C(/N)[*:1])C(=O)Nc1ccc(F)c(Cl)c1
C[C@@H](O/N=C(/N)Cc1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1 c1cncc(c1)[*:1] C[C@@H](O/N=C(/N)C[*:1])C(=O)Nc1ccc(F)c(Cl)c1
CN1C(=O)C[C@@H](C(=O)Nc2cc[nH]n2)[C@H]1c1ccc(Cl)c(F)c1 c1cc(n[nH]1)[*:1] CN1C(=O)C[C@@H](C(=O)N[*:1])[C@H]1c1ccc(Cl)c(F)c1
Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O
Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)c1 c1nc(cs1)[*:1] Cc1cccc(c1)NC(=O)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)c1 c1nc(cs1)C[*:1] Cc1cccc(c1)NC(=O)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
Cc1ccc(/C=N/NCCC#N)cc1 N#CCC[*:1] Cc1ccc(/C=N/N[*:1])cc1
Cc1ccc(/C=N/NCCC#N)cc1 N#CC[*:1] Cc1ccc(/C=N/NC[*:1])cc1
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@@H]1CCO[C@@H]1C CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1[C@H]1CCCN1C(=O)[C@@H]1CCO[C@@H]1C
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@@H]1CCO[C@@H]1C CC(C)C[*:1] Cc1nn(c(Cl)c1[C@H]1CCCN1C(=O)[C@@H]1CCO[C@@H]1C)[*:1]
O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(=O)n3c(nc2c1)CCC3 c1ccc(cc1)[*:1] O=C(OCC(=O)N1CCN(CC1)S(=O)(=O)[*:1])c1ccc2c(=O)n3CCCc3nc2c1
COc1ccc(SCC(=O)Nc2nnc(-c3ccnn3C(C)C)o2)cc1 COc1ccc(cc1)[*:1] CC(C)n1nccc1-c1nnc(NC(=O)CS[*:1])o1
COc1ccc(SCC(=O)Nc2nnc(-c3ccnn3C(C)C)o2)cc1 CC(C)[*:1] COc1ccc(cc1)SCC(=O)Nc1nnc(o1)-c1ccnn1[*:1]
COc1ccc(SCC(=O)Nc2nnc(-c3ccnn3C(C)C)o2)cc1 CC(C)n1nccc1[*:1] COc1ccc(cc1)SCC(=O)Nc1nnc(o1)[*:1]
COc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)n1 O=[N+]([O-])[*:1] COc1nc(-c2ccc(F)cc2)n(n1)-c1cccc(c1)NC(=O)c1cccc(c1)[*:1]
COc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)n1 O=[N+]([O-])c1cccc(c1)[*:1] COc1nc(-c2ccc(F)cc2)n(n1)-c1cccc(c1)NC(=O)[*:1]
COc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)n1 Fc1ccc(cc1)[*:1] COc1nc(n(n1)-c1cccc(c1)NC(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
O=C1CN2CCO[C@@]2(c2ccccc2F)c2cc(Br)ccc2N1 Fc1ccccc1[*:1] O=C1CN2CCO[C@]2(c2cc(Br)ccc2N1)[*:1]
CC(C)(CNC(=O)c1cnn(-c2ccc(F)cc2)n1)NS(C)(=O)=O Fc1ccc(cc1)[*:1] CC(C)(CNC(=O)c1cnn(n1)[*:1])NS(C)(=O)=O
CC(C)(CNC(=O)c1cnn(-c2ccc(F)cc2)n1)NS(C)(=O)=O CS(=O)(=O)N[*:1] CC(C)(CNC(=O)c1cnn(n1)-c1ccc(F)cc1)[*:1]
CC(C)(CNC(=O)c1cnn(-c2ccc(F)cc2)n1)NS(C)(=O)=O CC(C)(NS(C)(=O)=O)[*:1] O=C(NC[*:1])c1cnn(n1)-c1ccc(F)cc1
O=C([C@H]1COc2ccccc2O1)N1CCC(CCOCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C([C@H]1COc2ccccc2O1)N1CCC(CCO[*:1])CC1
O=C([C@H]1COc2ccccc2O1)N1CCC(CCOCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C([C@H]1COc2ccccc2O1)N1CCC(CC1)CC[*:1]
O=C([C@H]1COc2ccccc2O1)N1CCC(CCOCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@H]1COc2ccccc2O1)N1CCC(CCOC[*:1])CC1
CN1CC[NH+](C)CC12CCN(C(=O)c1cccc(CCC(C)(C)O)c1)CC2 CC(C)(O)[*:1] CN1CC[NH+](C)CC12CCN(CC2)C(=O)c1cccc(c1)CC[*:1]
CN1CC[NH+](C)CC12CCN(C(=O)c1cccc(CCC(C)(C)O)c1)CC2 CC(C)(O)CC[*:1] CN1CC[NH+](C)CC12CCN(CC2)C(=O)c1cccc(c1)[*:1]
CN1CC[NH+](C)CC12CCN(C(=O)c1cccc(CCC(C)(C)O)c1)CC2 CC(C)(O)C[*:1] CN1CC[NH+](C)CC12CCN(CC2)C(=O)c1cccc(c1)C[*:1]
CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CCOc1ccc(cc1)[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1C[*:1]
CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 CCO[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(C[C@H]1CCCO1)[C@@H]3c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] CCOc1ccc(cc1)[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1[*:1]
CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 CCOc1ccc(cc1)[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(C[C@H]1CCCO1)[C@@H]3[*:1]
COC[C@@H](C)N1C(=O)c2ccc(C(=O)N(C)C)cc2C1=O CN(C)C(=O)[*:1] COC[C@@H](C)N1C(=O)c2ccc(cc2C1=O)[*:1]
COC[C@@H](C)N1C(=O)c2ccc(C(=O)N(C)C)cc2C1=O COC[*:1] C[C@@H](N1C(=O)c2ccc(cc2C1=O)C(=O)N(C)C)[*:1]
COC[C@@H](C)N1C(=O)c2ccc(C(=O)N(C)C)cc2C1=O COC[C@@H](C)[*:1] CN(C)C(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CCCCCNC(=O)Nc1ccc(OC(F)F)c2ncccc12 CCC[*:1] O=C(NCC[*:1])Nc1ccc(OC(F)F)c2ncccc12
CCCCCNC(=O)Nc1ccc(OC(F)F)c2ncccc12 CCCC[*:1] O=C(NC[*:1])Nc1ccc(OC(F)F)c2ncccc12
CCCCCNC(=O)Nc1ccc(OC(F)F)c2ncccc12 FC(F)[*:1] CCCCCNC(=O)Nc1ccc(O[*:1])c2ncccc12
CCCCCNC(=O)Nc1ccc(OC(F)F)c2ncccc12 CCCCC[*:1] O=C(Nc1ccc(OC(F)F)c2ncccc12)N[*:1]
CCCCCNC(=O)Nc1ccc(OC(F)F)c2ncccc12 FC(F)O[*:1] CCCCCNC(=O)Nc1ccc(c2ncccc12)[*:1]
CCC(=O)NCCNC(=O)c1ccc(C)c(F)c1 CCC(=O)NC[*:1] Cc1ccc(cc1F)C(=O)NC[*:1]
CCC(=O)NCCNC(=O)c1ccc(C)c(F)c1 CCC(=O)N[*:1] Cc1ccc(cc1F)C(=O)NCC[*:1]
Cc1nc(-c2ccsc2)sc1C(=O)N1CCCCC1 c1cc(cs1)[*:1] Cc1nc(sc1C(=O)N1CCCCC1)[*:1]
CCSC1=NC(=O)[C@@H]2C(=N1)N=C(C)/C(=C(\[O-])OC)[C@@H]2c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCSC1=NC(=O)[C@@H]2C(N=C(C)/C(=C(\[O-])OC)[C@H]2[*:1])=N1
CC[C@@H](C)n1ncc(C(=O)NNc2ccc(C(F)(F)F)nn2)c1C1CC1 FC(F)(F)[*:1] CC[C@@H](C)n1ncc(C(=O)NNc2ccc(nn2)[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NNc2ccc(C(F)(F)F)nn2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NNc2ccc(nn2)C(F)(F)F)c1[*:1]
O=Cc1ccc(Oc2ccc([N+](=O)[O-])c3cccnc23)c(F)c1 O=[N+]([O-])[*:1] O=Cc1ccc(Oc2ccc(c3cccnc23)[*:1])c(F)c1
O=C1CCCN1CC1CCN(C(=O)c2ccc(N[C@H]3CCSC3)nc2)CC1 O=C1CCCN1C[*:1] O=C(c1ccc(nc1)N[C@H]1CCSC1)N1CCC(CC1)[*:1]
O=C1CCCN1CC1CCN(C(=O)c2ccc(N[C@H]3CCSC3)nc2)CC1 O=C1CCCN1[*:1] O=C(c1ccc(nc1)N[C@H]1CCSC1)N1CCC(CC1)C[*:1]
CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCc3ccco3)C2)cc1 CSc1ccc(cc1)[*:1] O=C(CCc1ccco1)N1CCC[C@H](C1)C(=O)[*:1]
CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCc3ccco3)C2)cc1 c1coc(c1)C[*:1] CSc1ccc(cc1)C(=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCc3ccco3)C2)cc1 c1coc(c1)[*:1] CSc1ccc(cc1)C(=O)[C@@H]1CCCN(C1)C(=O)CC[*:1]
CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCc3ccco3)C2)cc1 c1coc(c1)CC[*:1] CSc1ccc(cc1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](SC(C)C)C1 CC(C)S[*:1] C[NH2+][C@]1(CC[C@H](C1)[*:1])C(=O)[O-]
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](SC(C)C)C1 O=C([O-])[*:1] C[NH2+][C@]1(CC[C@@H](C1)SC(C)C)[*:1]
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](SC(C)C)C1 CC(C)[*:1] C[NH2+][C@]1(CC[C@@H](C1)S[*:1])C(=O)[O-]
CC(C)Cn1ncc(C(=O)N(C[C@H]2CCCCO2)C(C)C)c1C(F)F C1CC[C@@H](OC1)[*:1] CC(C)Cn1ncc(C(=O)N(C[*:1])C(C)C)c1C(F)F
CC(C)Cn1ncc(C(=O)N(C[C@H]2CCCCO2)C(C)C)c1C(F)F CC(C)C[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)c1cnn(c1C(F)F)[*:1]
CC(C)Cn1ncc(C(=O)N(C[C@H]2CCCCO2)C(C)C)c1C(F)F C1CC[C@H](C[*:1])OC1 CC(C)Cn1ncc(C(=O)N(C(C)C)[*:1])c1C(F)F
CC(C)Cn1ncc(C(=O)N(C[C@H]2CCCCO2)C(C)C)c1C(F)F CC(C)[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)c1cnn(C[*:1])c1C(F)F
CC(C)Cn1ncc(C(=O)N(C[C@H]2CCCCO2)C(C)C)c1C(F)F FC(F)[*:1] CC(C)Cn1ncc(C(=O)N(C[C@H]2CCCCO2)C(C)C)c1[*:1]
CC(C)Cn1ncc(C(=O)N(C[C@H]2CCCCO2)C(C)C)c1C(F)F CC(C)[*:1] CC(C)Cn1ncc(C(=O)N(C[C@H]2CCCCO2)[*:1])c1C(F)F
CN(C)[C@@H](C(=O)N1CCCN(C(=O)C2CCC2)CC1)c1ccccc1F Fc1ccccc1[*:1] CN(C)[C@@H](C(=O)N1CCCN(CC1)C(=O)C1CCC1)[*:1]
CN(C)[C@@H](C(=O)N1CCCN(C(=O)C2CCC2)CC1)c1ccccc1F CN(C)[*:1] O=C(C1CCC1)N1CCCN(CC1)C(=O)[C@@H](c1ccccc1F)[*:1]
CN(C)[C@@H](C(=O)N1CCCN(C(=O)C2CCC2)CC1)c1ccccc1F C1CC(C1)[*:1] CN(C)[C@@H](C(=O)N1CCCN(CC1)C(=O)[*:1])c1ccccc1F
CC(C)(C)Oc1cc(CNC(=O)c2ccc(C#N)[n-]2)ccn1 CC(C)(C)[*:1] N#Cc1ccc([n-]1)C(=O)NCc1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(CNC(=O)c2ccc(C#N)[n-]2)ccn1 CC(C)(C)O[*:1] N#Cc1ccc([n-]1)C(=O)NCc1ccnc(c1)[*:1]
CCOC(=O)c1[nH]c(C)c(CCC(=O)Nc2cccc(C)c2C)c1C Cc1cccc(c1C)[*:1] CCOC(=O)c1[nH]c(C)c(CCC(=O)N[*:1])c1C
CCOC(=O)c1[nH]c(C)c(CCC(=O)Nc2cccc(C)c2C)c1C CCOC(=O)[*:1] Cc1cccc(NC(=O)CCc2c(C)[nH]c(c2C)[*:1])c1C
COc1cccc([C@H](CNC(=O)c2n[nH]c3ccccc23)c2c[nH]c3ccccc23)c1OC c1ccc2c(n[nH]c2c1)[*:1] COc1cccc(c1OC)[C@H](CNC(=O)[*:1])c1c[nH]c2ccccc12
COc1cccc([C@H](CNC(=O)c2n[nH]c3ccccc23)c2c[nH]c3ccccc23)c1OC COc1cccc(c1OC)[*:1] O=C(NC[C@H](c1c[nH]c2ccccc12)[*:1])c1n[nH]c2ccccc12
COc1cccc([C@H](CNC(=O)c2n[nH]c3ccccc23)c2c[nH]c3ccccc23)c1OC c1ccc2c(c[nH]c2c1)[*:1] COc1cccc(c1OC)[C@H](CNC(=O)c1n[nH]c2ccccc12)[*:1]
CC[C@H](C)CN(CC)C(=O)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] CC[C@H](C)CN(CC)C(=O)Nc1ccn(n1)[*:1]
CC[C@H](C)CN(CC)C(=O)Nc1ccn(-c2ncccc2Cl)n1 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)Nc1ccn(n1)-c1ncccc1Cl
CC[C@H](C)CN(CC)C(=O)Nc1ccn(-c2ncccc2Cl)n1 CC[C@H](C)C[*:1] CCN(C(=O)Nc1ccn(n1)-c1ncccc1Cl)[*:1]
C[NH+](CC(=O)NC1CC1)Cc1ccc(Br)cc1 C1CC1[*:1] C[NH+](CC(=O)N[*:1])Cc1ccc(Br)cc1
CCNc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)ccn1 CCN[*:1] C[C@@H]1CN(C[C@@H]1[NH+](C)C)C(=O)c1ccnc(c1)[*:1]
CC(=O)N[C@@H](C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)C(C)C CC(=O)N[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H](C(C)C)[*:1]
CC(=O)N[C@@H](C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)C(C)C Cc1ccc(C)c(c1)[*:1] CC(=O)N[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)c1cc(C)ccc1C)[*:1]
O=C(Nc1ccccc1OCC(F)(F)F)N1CCC[C@@H]1c1cccc(F)c1 FC(F)(F)C[*:1] O=C(Nc1ccccc1O[*:1])N1CCC[C@@H]1c1cccc(F)c1
O=C(Nc1ccccc1OCC(F)(F)F)N1CCC[C@@H]1c1cccc(F)c1 FC(F)(F)[*:1] O=C(Nc1ccccc1OC[*:1])N1CCC[C@@H]1c1cccc(F)c1
O=C(Nc1ccccc1OCC(F)(F)F)N1CCC[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccccc1OCC(F)(F)F)N1CCC[C@H]1[*:1]
O=C(Nc1ccccc1OCC(F)(F)F)N1CCC[C@@H]1c1cccc(F)c1 FC(F)(F)CO[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@@H]1c1cccc(F)c1
CC(C)NC(=O)CSc1ccccc1C(=O)N(C)Cc1ncnn1C Cn1ncnc1C[*:1] CC(C)NC(=O)CSc1ccccc1C(=O)N(C)[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)N(C)Cc1ncnn1C CC(C)NC(=O)[*:1] CN(Cc1ncnn1C)C(=O)c1ccccc1SC[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)N(C)Cc1ncnn1C CC(C)NC(=O)C[*:1] CN(Cc1ncnn1C)C(=O)c1ccccc1S[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)N(C)Cc1ncnn1C Cn1ncnc1[*:1] CC(C)NC(=O)CSc1ccccc1C(=O)N(C)C[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)N(C)Cc1ncnn1C CC(C)[*:1] CN(Cc1ncnn1C)C(=O)c1ccccc1SCC(=O)N[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)N(C)Cc1ncnn1C CC(C)NC(=O)CS[*:1] CN(Cc1ncnn1C)C(=O)c1ccccc1[*:1]
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1-n1cccc1 COc1ccccc1[*:1] O=C(CSc1nnc(n1-n1cccc1)[*:1])Nc1ccc(F)c(Cl)c1
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1-n1cccc1 Fc1ccc(cc1Cl)[*:1] COc1ccccc1-c1nnc(SCC(=O)N[*:1])n1-n1cccc1
C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 O=[N+]([O-])[*:1] C[C@H](OC(=O)c1csc(n1)-c1ccc(cc1)[*:1])[C@@H]1CCOC1
COc1cc(CN2CCC[C@H](c3nncn3C)C2)c(Br)cc1O Cn1cnnc1[*:1] COc1cc(CN2CCC[C@H](C2)[*:1])c(Br)cc1O
C[NH+]1CCN(Cc2noc(COCc3ccccc3)n2)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCN(CC1)Cc1noc(CO[*:1])n1
C[NH+]1CCN(Cc2noc(COCc3ccccc3)n2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)Cc1noc(COC[*:1])n1
Cc1cccc(CC[C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)CC[C@H](C)[NH2+]CC(C)(C)[*:1]
COC[C@H]1CCCN1C(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] COC[C@H]1CCCN1C(=O)C(=O)Nc1cccn(C[*:1])c1=O
COC[C@H]1CCCN1C(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] COC[C@H]1CCCN1C(=O)C(=O)Nc1cccn(c1=O)[*:1]
COC[C@H]1CCCN1C(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O COC[*:1] O=C(Nc1cccn(Cc2ccccc2)c1=O)C(=O)N1CCC[C@@H]1[*:1]
O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 Clc1ccc(cc1Cl)[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(CC1)[*:1]
Cc1ccncc1NC(=O)N(C)CC1CCC1 C1CC(C1)[*:1] Cc1ccncc1NC(=O)N(C)C[*:1]
Cc1ccncc1NC(=O)N(C)CC1CCC1 C1CC(C1)C[*:1] Cc1ccncc1NC(=O)N(C)[*:1]
CC[C@H](C)NC(=O)c1c([O-])n(-c2ccc(OC)cc2)c2ncccc2c1=O COc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1c([O-])n(c2ncccc2c1=O)[*:1]
CC[C@H](C)NC(=O)c1c([O-])n(-c2ccc(OC)cc2)c2ncccc2c1=O CC[C@H](C)[*:1] COc1ccc(cc1)-n1c([O-])c(C(=O)N[*:1])c(=O)c2cccnc21
CC[C@](C)(CO)NC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] CC[C@](C)(CO)NC(=O)Nc1cccc(c1)NC(=O)[*:1]
O=C(C[NH+]1CCN(C(=O)N2CCOCC2)CC1)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)N1CCOCC1)N[*:1]
C[C@@H](C(N)=O)N1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 C[C@@H](C(N)=O)[*:1] Fc1ccc(cc1-c1cccs1)C[NH+]1CCN(CC1)[*:1]
C[C@@H](C(N)=O)N1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 NC(=O)[*:1] C[C@@H](N1CC[NH+](CC1)Cc1ccc(F)c(c1)-c1cccs1)[*:1]
C[C@@H](C(N)=O)N1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 c1csc(c1)[*:1] C[C@@H](C(N)=O)N1CC[NH+](CC1)Cc1ccc(F)c(c1)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccs1 CC(=O)N[C@@H](c1cccs1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN1C(=O)C[*:1]
CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccs1 CC(=O)N[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN1C(=O)C[C@@H](c1cccs1)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccs1 CC(C)(C)[*:1] CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)O[*:1])c1cccs1
CCC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CC[NH+]1CCN(C)CC1 CCC[*:1] CN1CC[NH+](CC[C@@H]2CCC[C@@]2([NH2+][*:1])C(N)=O)CC1
CCC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CC[NH+]1CCN(C)CC1 NC(=O)[*:1] CCC[NH2+][C@]1(CCC[C@H]1CC[NH+]1CCN(C)CC1)[*:1]
N[C@@H](c1ccc(Br)s1)C(F)(F)C(F)F FC(F)[*:1] N[C@@H](c1ccc(Br)s1)C(F)(F)[*:1]
Cc1cc(C(=O)COC(=O)c2cnc3ccccc3c2C(F)(F)F)c(C)n1[C@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] Cc1cc(C(=O)COC(=O)c2cnc3ccccc3c2[*:1])c(C)n1[C@H]1CCS(=O)(=O)C1
CN1C(=O)C[C@@H](C(=O)NCCN2CCOCC2)[C@H]1c1cccnc1 C1CN(CCO1)CC[*:1] CN1C(=O)C[C@@H](C(=O)N[*:1])[C@H]1c1cccnc1
CN1C(=O)C[C@@H](C(=O)NCCN2CCOCC2)[C@H]1c1cccnc1 c1cncc(c1)[*:1] CN1C(=O)C[C@@H](C(=O)NCCN2CCOCC2)[C@@H]1[*:1]
CN1C(=O)C[C@@H](C(=O)NCCN2CCOCC2)[C@H]1c1cccnc1 C1CN(CCO1)C[*:1] CN1C(=O)C[C@@H](C(=O)NC[*:1])[C@H]1c1cccnc1
CN1C(=O)C[C@@H](C(=O)NCCN2CCOCC2)[C@H]1c1cccnc1 C1CN(CCO1)[*:1] CN1C(=O)C[C@@H](C(=O)NCC[*:1])[C@H]1c1cccnc1
CCCOc1cc(C)ccc1NC(=O)N1CCCC[C@@H]1CN1CCCC1=O CCC[*:1] Cc1ccc(NC(=O)N2CCCC[C@@H]2CN2CCCC2=O)c(c1)O[*:1]
CCCOc1cc(C)ccc1NC(=O)N1CCCC[C@@H]1CN1CCCC1=O O=C1CCCN1[*:1] CCCOc1cc(C)ccc1NC(=O)N1CCCC[C@@H]1C[*:1]
CCCOc1cc(C)ccc1NC(=O)N1CCCC[C@@H]1CN1CCCC1=O CCCO[*:1] Cc1ccc(NC(=O)N2CCCC[C@@H]2CN2CCCC2=O)c(c1)[*:1]
CCCOc1cc(C)ccc1NC(=O)N1CCCC[C@@H]1CN1CCCC1=O O=C1CCCN1C[*:1] CCCOc1cc(C)ccc1NC(=O)N1CCCC[C@H]1[*:1]
CC[C@H]1CCCC[C@@H]1Oc1ccc(S(C)(=O)=O)cc1N CS(=O)(=O)[*:1] CC[C@H]1CCCC[C@@H]1Oc1ccc(cc1N)[*:1]
COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(cc1)[*:1]
COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc([S@@](C)=O)cc1 COC(=O)[*:1] C[S@@](=O)c1ccc(cc1)CN1C[C@@H](O)C[C@H]1[*:1]
C[C@@H](CCO)Sc1cc(C(=O)[O-])c2ccccc2n1 C[C@@H](CCO)[*:1] O=C([O-])c1cc(nc2ccccc12)S[*:1]
C[C@@H](CCO)Sc1cc(C(=O)[O-])c2ccccc2n1 C[C@@H](CCO)S[*:1] O=C([O-])c1cc(nc2ccccc12)[*:1]
C[C@@H](CCO)Sc1cc(C(=O)[O-])c2ccccc2n1 OCC[*:1] C[C@@H](Sc1cc(C(=O)[O-])c2ccccc2n1)[*:1]
C[C@@H](CCO)Sc1cc(C(=O)[O-])c2ccccc2n1 O=C([O-])[*:1] C[C@@H](CCO)Sc1cc(c2ccccc2n1)[*:1]
CC(C)[NH2+]C[C@H]1CCCO[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] CC(C)[NH2+]C[C@H]1CCCO[C@@H]1CC[*:1]
CC(C)[NH2+]C[C@H]1CCCO[C@@H]1CCc1ccccc1 CC(C)[*:1] c1ccc(cc1)CC[C@H]1OCCC[C@@H]1C[NH2+][*:1]
COc1ccccc1-n1nc(C(C)C)nc1CCc1cccnc1 c1cncc(c1)[*:1] COc1ccccc1-n1nc(nc1CC[*:1])C(C)C
COc1ccccc1-n1nc(C(C)C)nc1CCc1cccnc1 c1cncc(c1)C[*:1] COc1ccccc1-n1nc(nc1C[*:1])C(C)C
COc1ccccc1-n1nc(C(C)C)nc1CCc1cccnc1 CC(C)[*:1] COc1ccccc1-n1nc(nc1CCc1cccnc1)[*:1]
COc1ccccc1-n1nc(C(C)C)nc1CCc1cccnc1 COc1ccccc1[*:1] CC(C)c1nc(CCc2cccnc2)n(n1)[*:1]
COc1ccccc1-n1nc(C(C)C)nc1CCc1cccnc1 c1cncc(c1)CC[*:1] COc1ccccc1-n1nc(nc1[*:1])C(C)C
FC(F)(F)c1ccccc1OC[C@H]1CO1 FC(F)(F)[*:1] c1ccc(c(c1)OC[C@H]1CO1)[*:1]
FC(F)(F)c1ccccc1OC[C@H]1CO1 C1O[C@H]1C[*:1] FC(F)(F)c1ccccc1O[*:1]
FC(F)(F)c1ccccc1OC[C@H]1CO1 C1O[C@H]1[*:1] FC(F)(F)c1ccccc1OC[*:1]
FC(F)(F)c1ccccc1OC[C@H]1CO1 C1O[C@H]1CO[*:1] FC(F)(F)c1ccccc1[*:1]
CC(C)CCNC(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12 CC(C)CC[*:1] O=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)N[*:1]
CC(C)CCNC(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12 Fc1ccc(cc1)C[*:1] CC(C)CCNC(=O)Cc1cn(c2ccccc12)[*:1]
CC(C)CCNC(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12 CC(C)[*:1] O=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)NCC[*:1]
CC(C)CCNC(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12 CC(C)CCNC(=O)[*:1] Fc1ccc(cc1)Cn1cc(C[*:1])c2ccccc21
CC(C)CCNC(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12 Fc1ccc(cc1)[*:1] CC(C)CCNC(=O)Cc1cn(C[*:1])c2ccccc12
CC(C)CCNC(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12 CC(C)C[*:1] O=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)NC[*:1]
CC[C@@H](CO)NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] CC[C@@H](CO)NC(=O)N[C@H](C)c1nc(no1)[*:1]
CC[C@@H](CO)NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 CC[C@@H](CO)[*:1] C[C@@H](NC(=O)N[*:1])c1nc(no1)C(C)(C)C
CCNc1nnc(SCCS(=O)(=O)c2ccc(Br)cc2)s1 CCN[*:1] O=S(=O)(CCSc1nnc(s1)[*:1])c1ccc(Br)cc1
CCNc1nnc(SCCS(=O)(=O)c2ccc(Br)cc2)s1 Brc1ccc(cc1)[*:1] CCNc1nnc(SCCS(=O)(=O)[*:1])s1
COc1cc(NCc2ccc3ccccc3c2)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])NCc1ccc2ccccc2c1
CC(=O)Nc1cc(C(=O)Nc2ccccc2C(=O)C(C)C)ccc1C CC(C)[*:1] CC(=O)Nc1cc(ccc1C)C(=O)Nc1ccccc1C(=O)[*:1]
CC(=O)Nc1cc(C(=O)Nc2ccccc2C(=O)C(C)C)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccccc1C(=O)C(C)C
CC(=O)Nc1cc(C(=O)Nc2ccccc2C(=O)C(C)C)ccc1C CC(C)C(=O)[*:1] CC(=O)Nc1cc(ccc1C)C(=O)Nc1ccccc1[*:1]
O=C(c1n[nH]c(=O)c2ccccc12)N(C1CC1)[C@H]1CCCc2ccccc21 C1CC1[*:1] O=C(c1n[nH]c(=O)c2ccccc12)N([C@H]1CCCc2ccccc21)[*:1]
CCCN(C(=O)c1cc(C)cc(C)c1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 Cc1cc(C)c(O)c(c1)[*:1] CCCN(C(=O)[*:1])C1CCN(CC1)c1cc(C)[nH+]c(C)n1
CCCN(C(=O)c1cc(C)cc(C)c1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 CCC[*:1] Cc1cc(C)c(O)c(c1)C(=O)N(C1CCN(CC1)c1cc(C)[nH+]c(C)n1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2cccc(Br)c2)cc1 O=C(C[*:1])N1CCCC1 Cc1ccc(cc1)S(=O)(=O)N(c1cccc(Br)c1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2cccc(Br)c2)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1cccc(Br)c1
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2cccc(Br)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CN(c1cccc(Br)c1)S(=O)(=O)[*:1])N1CCCC1
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCCC1)[*:1]
CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1c(C)cc(C)cc1C Cc1cc(C)c(c(C)c1)[*:1] CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)[*:1]
CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1c(C)cc(C)cc1C Cc1ccccc1[*:1] CCOC(=O)c1nn(c(=O)cc1OS(=O)(=O)c1c(C)cc(C)cc1C)[*:1]
CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1c(C)cc(C)cc1C CCOC(=O)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)Oc1cc(=O)n(nc1[*:1])-c1ccccc1C
COCC[NH2+]Cc1c[nH]nc1C1CCCC1 COCC[*:1] c1[nH]nc(c1C[NH2+][*:1])C1CCCC1
COCC[NH2+]Cc1c[nH]nc1C1CCCC1 C1CCC(C1)[*:1] COCC[NH2+]Cc1c[nH]nc1[*:1]
COCC[NH2+]Cc1c[nH]nc1C1CCCC1 COC[*:1] c1[nH]nc(c1C[NH2+]C[*:1])C1CCCC1
COCCOc1cc(C)ccc1C[NH3+] COC[*:1] Cc1ccc(C[NH3+])c(c1)OC[*:1]
COCCOc1cc(C)ccc1C[NH3+] COCC[*:1] Cc1ccc(C[NH3+])c(c1)O[*:1]
CN(C[C@H]1COc2ccccc2O1)c1nnc(C2CC2)o1 C1CC1[*:1] CN(C[C@H]1COc2ccccc2O1)c1nnc(o1)[*:1]
COc1ccccc1NC(=O)NCc1ccnc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1ccccc1NC(=O)NCc1ccnc(c1)O[*:1]
COc1ccccc1NC(=O)NCc1ccnc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)NCc1ccnc(c1)OC[*:1]
COc1ccccc1NC(=O)NCc1ccnc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] COc1ccccc1NC(=O)NCc1ccnc(c1)[*:1]
COc1ccccc1NC(=O)NCc1ccnc(OCc2ccccc2)c1 COc1ccccc1[*:1] O=C(NCc1ccnc(c1)OCc1ccccc1)N[*:1]
CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OC CCCCO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1ccc(Cl)cc1
CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OC CCCC[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1ccc(Cl)cc1
CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OC CCC[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1ccc(Cl)cc1
CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OC Clc1ccc(cc1)[*:1] CCCCOc1ccc(cc1OC)C(=O)N[*:1]
CC(C)Cn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc12 CC(C)C[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc2n(c(=O)c3ccccc3n12)[*:1]
CC(C)Cn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc12 CC(C)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc2n(C[*:1])c(=O)c3ccccc3n12
COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 Cc1ccc(cc1Cl)[*:1] COc1ccc(cc1)[C@@H]1Nn2c(C)nnc2S[C@H]1C(=O)N[*:1]
COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1[*:1]
CC[C@@H]1CCC[C@@](Cc2cccc(O)c2)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H]1CCC[C@@](Cc2cccc(O)c2)(C1)[*:1]
COc1ccccc1/C=C1\C(=O)N(CN2CC[NH+](C)CC2)c2cc(Cl)ccc21 COc1ccccc1[*:1] C[NH+]1CCN(CC1)CN1C(=O)C(=C[*:1])c2ccc(Cl)cc21
O=C(Cc1csc(-c2cccnc2)n1)N1CC=C(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1cccnc1)N1CC=C(CC1)[*:1]
O=C(Cc1csc(-c2cccnc2)n1)N1CC=C(c2ccc(O)cc2)CC1 c1cncc(c1)[*:1] O=C(Cc1csc(n1)[*:1])N1CC=C(CC1)c1ccc(O)cc1
O=c1cc(N2CCCC2)[nH]c(=O)n1-c1ccc(Cl)cc1 C1CCN(C1)[*:1] O=c1cc([nH]c(=O)n1-c1ccc(Cl)cc1)[*:1]
CSc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 c1cc2OCOc2cc1[*:1] CSc1ccccc1NC(=O)c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)F)[*:1]
CSc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 CSc1ccccc1NC(=O)[*:1] FC(F)(F)[C@@H]1C[C@@H](Nc2cc(nn21)[*:1])c1ccc2OCOc2c1
CSc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 CSc1ccccc1[*:1] O=C(N[*:1])c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)c1ccc2OCOc2c1
CSc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 FC(F)(F)[*:1] CSc1ccccc1NC(=O)c1cc2N[C@H](C[C@@H](n2n1)[*:1])c1ccc2OCOc2c1
Cc1oc(-c2ccccc2)nc1CSCc1nc(N)nc(N(C)C)n1 c1ccc(cc1)[*:1] Cc1oc(nc1CSCc1nc(N)nc(n1)N(C)C)[*:1]
Cc1oc(-c2ccccc2)nc1CSCc1nc(N)nc(N(C)C)n1 CN(C)[*:1] Cc1oc(nc1CSCc1nc(N)nc(n1)[*:1])-c1ccccc1
O=C(NC[C@H]1CCCO1)c1cccc(NC(=O)N2CCSc3ncccc32)c1 O=C(NC[C@H]1CCCO1)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCSc2ncccc21
COc1cc(C[NH2+][C@H]2CCC[C@H](C)[C@H]2C)cc(Cl)c1OCC(N)=O NC(=O)C[*:1] COc1cc(cc(Cl)c1O[*:1])C[NH2+][C@H]1CCC[C@H](C)[C@H]1C
COc1cc(C[NH2+][C@H]2CCC[C@H](C)[C@H]2C)cc(Cl)c1OCC(N)=O NC(=O)[*:1] COc1cc(cc(Cl)c1OC[*:1])C[NH2+][C@H]1CCC[C@H](C)[C@H]1C
COc1cc(C[NH2+][C@H]2CCC[C@H](C)[C@H]2C)cc(Cl)c1OCC(N)=O NC(=O)CO[*:1] COc1cc(cc(Cl)c1[*:1])C[NH2+][C@H]1CCC[C@H](C)[C@H]1C
Cc1cccc(Nc2ncnc(N(C)C)c2[N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cccc(Nc2ncnc(c2[*:1])N(C)C)c1C
Cc1cccc(Nc2ncnc(N(C)C)c2[N+](=O)[O-])c1C CN(C)[*:1] Cc1cccc(Nc2ncnc(c2[N+](=O)[O-])[*:1])c1C
O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)NCc1ccco1 c1coc(c1)C[*:1] O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)N[*:1]
O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)NCc1ccco1 Fc1ccc(cc1)[*:1] O=C(C[C@@H](c1ccco1)[*:1])NCc1ccco1
O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)NCc1ccco1 c1coc(c1)[*:1] O=C(C[C@@H](c1ccc(F)cc1)[*:1])NCc1ccco1
O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)NCc1ccco1 c1coc(c1)[*:1] O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)NC[*:1]
C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(C)cc1 C=CC[*:1] CC[C@H]1SC2=NC(C)=C(C(=O)O[*:1])[C@@H](c3ccc(C)cc3)N2C1=O
C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1[*:1]
C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(C)cc1 C=CCOC(=O)[*:1] CC[C@H]1SC2=NC(C)=C([C@@H](c3ccc(C)cc3)N2C1=O)[*:1]
CCCNC(=O)NC(=O)CSc1ccc(Br)cc1 CCC[*:1] O=C(CSc1ccc(Br)cc1)NC(=O)N[*:1]
Cc1ccc(C[NH2+]CCCN2CCCCCC2=O)s1 Cc1ccc(s1)[*:1] O=C1CCCCCN1CCC[NH2+]C[*:1]
Cc1nnc(NC(=O)Cn2ccc3ccc(Br)cc32)s1 Cc1nnc(s1)[*:1] O=C(Cn1ccc2ccc(Br)cc21)N[*:1]
O=C(NC[C@@H]1CCS(=O)(=O)C1)N(C1CC1)[C@H]1CCCc2ccccc21 O=S1(=O)CC[C@H](C1)[*:1] O=C(NC[*:1])N(C1CC1)[C@H]1CCCc2ccccc21
O=C(NC[C@@H]1CCS(=O)(=O)C1)N(C1CC1)[C@H]1CCCc2ccccc21 C1CC1[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)N([C@H]1CCCc2ccccc21)[*:1]
C[C@@H](CO)Nc1ccc(OC(F)F)cn1 C[C@@H](CO)[*:1] FC(F)Oc1ccc(nc1)N[*:1]
C[C@@H](CO)Nc1ccc(OC(F)F)cn1 FC(F)O[*:1] C[C@@H](CO)Nc1ccc(cn1)[*:1]
C[C@@H](CO)Nc1ccc(OC(F)F)cn1 C[C@@H](CO)N[*:1] FC(F)Oc1ccc(nc1)[*:1]
C[C@@H](CO)Nc1ccc(OC(F)F)cn1 FC(F)[*:1] C[C@@H](CO)Nc1ccc(cn1)O[*:1]
Cc1cncc(C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 Cc1cncc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)NC(=O)[*:1]
O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)([N-]c1ccc2nc([nH]c2c1)[C@H]1CCCO1)c1ccc(F)c(c1)[*:1]
O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(F)c(C(F)(F)F)c1 C1CO[C@H](C1)[*:1] O=S(=O)([N-]c1ccc2nc([nH]c2c1)[*:1])c1ccc(F)c(c1)C(F)(F)F
C[C@H](NC(=O)CCOc1cccc(Cl)c1)C(C)(C)C C[C@H](C(C)(C)C)[*:1] O=C(CCOc1cccc(Cl)c1)N[*:1]
C[C@H](NC(=O)CCOc1cccc(Cl)c1)C(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)CCOc1cccc(Cl)c1)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(O)cc2)n2c(nc3ccccc32)N1 CC(C)OC(=O)[*:1] CC1Nc2nc3ccccc3n2[C@H](C=1[*:1])c1ccc(O)cc1
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(O)cc2)n2c(nc3ccccc32)N1 CC(C)[*:1] CC1Nc2nc3ccccc3n2[C@H](C=1C(=O)O[*:1])c1ccc(O)cc1
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(O)cc2)n2c(nc3ccccc32)N1 Oc1ccc(cc1)[*:1] CC1Nc2nc3ccccc3n2[C@@H](C=1C(=O)OC(C)C)[*:1]
CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 CCS(=O)(=O)[*:1] C[C@H](NC(=O)NCC[*:1])c1cccc(c1)N1CCCC1
CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1cccc(c1)[*:1]
CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 CCS(=O)(=O)C[*:1] C[C@H](NC(=O)NC[*:1])c1cccc(c1)N1CCCC1
CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 CCS(=O)(=O)CC[*:1] C[C@H](NC(=O)N[*:1])c1cccc(c1)N1CCCC1
Cc1ccccc1C(c1ccccc1C)[n+]1ccccc1 Cc1ccccc1[*:1] Cc1ccccc1C([n+]1ccccc1)[*:1]
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)CC c1ccc(cc1)[*:1] C=CCn1c(C[*:1])nnc1S[C@H](C)CC
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)CC C=CC[*:1] CC[C@@H](C)Sc1nnc(Cc2ccccc2)n1[*:1]
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)CC CC[C@@H](C)S[*:1] C=CCn1c(Cc2ccccc2)nnc1[*:1]
C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)CC CC[C@@H](C)[*:1] C=CCn1c(Cc2ccccc2)nnc1S[*:1]
COC[C@]1(O)CCN(C(=O)c2ccccc2-c2ccc(F)cc2)CC1(C)C Fc1ccc(cc1)[*:1] COC[C@]1(O)CCN(CC1(C)C)C(=O)c1ccccc1[*:1]
COC[C@]1(O)CCN(C(=O)c2ccccc2-c2ccc(F)cc2)CC1(C)C COC[*:1] CC1(C)CN(CC[C@]1(O)[*:1])C(=O)c1ccccc1-c1ccc(F)cc1
C=CCn1c(/N=C/c2cc(Br)ccc2O)[nH+]c2ccccc21 C=CC[*:1] Oc1ccc(Br)cc1/C=N/c1[nH+]c2ccccc2n1[*:1]
O=C([O-])[C@H](F)[C@H](O)c1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] O=C([O-])[C@H](F)[C@H](O)c1cccc(c1)O[*:1]
NC(=O)c1ccnc(N(CC(=O)[O-])CC(F)(F)F)c1 O=C([O-])C[*:1] NC(=O)c1ccnc(c1)N(CC(F)(F)F)[*:1]
NC(=O)c1ccnc(N(CC(=O)[O-])CC(F)(F)F)c1 FC(F)(F)[*:1] NC(=O)c1ccnc(c1)N(CC(=O)[O-])C[*:1]
NC(=O)c1ccnc(N(CC(=O)[O-])CC(F)(F)F)c1 O=C([O-])[*:1] NC(=O)c1ccnc(c1)N(CC(F)(F)F)C[*:1]
NC(=O)c1ccnc(N(CC(=O)[O-])CC(F)(F)F)c1 FC(F)(F)C[*:1] NC(=O)c1ccnc(c1)N(CC(=O)[O-])[*:1]
NC(=O)c1ccnc(N(CC(=O)[O-])CC(F)(F)F)c1 NC(=O)[*:1] O=C([O-])CN(CC(F)(F)F)c1cc(ccn1)[*:1]
N#Cc1ccc(N2CC[C@@H](Sc3nccc(C(F)(F)F)n3)C2=O)cc1 N#Cc1ccc(cc1)[*:1] O=C1[C@@H](CCN1[*:1])Sc1nccc(n1)C(F)(F)F
N#Cc1ccc(N2CC[C@@H](Sc3nccc(C(F)(F)F)n3)C2=O)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)N1CC[C@@H](Sc2nccc(n2)[*:1])C1=O
CCOC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@H]1c1ccc(Cl)cc1 CCOC(=O)[*:1] Cc1cc2OC(N)=C([C@H](c3ccc(Cl)cc3)c2c(=O)n1CC[NH+](C)C)[*:1]
CCOC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@@H]1[*:1]
COc1cc(OC)c(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)o2)cc1Cl c1cncc(c1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)[C@H](C)Sc1nnc(o1)[*:1]
O=CN1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1 c1cc(ccn1)[*:1] O=CN1CCN(CC1)C(=O)c1cc(nc2ccccc12)[*:1]
CCC(CC)N(C)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1 CCC(CC)[*:1] COC(=O)c1cc(ccc1C)S(=O)(=O)N(C)[*:1]
CCC(CC)N(C)S(=O)(=O)c1ccc(C)c(C(=O)OC)c1 COC(=O)[*:1] CCC(CC)N(C)S(=O)(=O)c1ccc(C)c(c1)[*:1]
CCc1nnc(NNC(=O)C2CCCCC2)nc1[O-] C1CCC(CC1)[*:1] CCc1nnc(nc1[O-])NNC(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1C Cc1ccccc1O[*:1] COc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N1CCOCC1
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1C Cc1ccccc1[*:1] COc1ccc(cc1NC(=O)CO[*:1])S(=O)(=O)N1CCOCC1
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1C O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1NC(=O)COc1ccccc1C)[*:1]
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1C Cc1ccccc1OC[*:1] COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCOCC1
CC1(C)CCC[C@]2(CC[NH2+]C[C@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC1(C)CCC[C@]2(CC[NH2+]C[C@@H]2[*:1])CC1
C[NH+](CCCO)C1CCN(Cc2c[nH]c[nH+]2)CC1 OCC[*:1] C[NH+](C[*:1])C1CCN(CC1)Cc1c[nH]c[nH+]1
C[NH+](CCCO)C1CCN(Cc2c[nH]c[nH+]2)CC1 OCCC[*:1] C[NH+](C1CCN(CC1)Cc1c[nH]c[nH+]1)[*:1]
C[NH+](CCCO)C1CCN(Cc2c[nH]c[nH+]2)CC1 c1[nH]cc(C[*:1])[nH+]1 C[NH+](CCCO)C1CCN(CC1)[*:1]
Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)sn1 c1cncc(c1)[*:1] Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2[*:1])sn1
Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)sn1 Cc1cc(sn1)[*:1] CN1C(=O)C[C@@H](C(=O)N[*:1])[C@H]1c1cccnc1
Cc1ccccc1NC(=S)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2 Cc1ccccc1[*:1] S=C(N[*:1])N(Cc1ccccc1)Cc1ccc2OCOc2c1
Cc1ccccc1NC(=S)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1ccccc1NC(=S)N(Cc1ccccc1)C[*:1]
Cc1ccccc1NC(=S)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] Cc1ccccc1NC(=S)N(Cc1ccc2OCOc2c1)C[*:1]
Cc1ccccc1NC(=S)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] Cc1ccccc1NC(=S)N(Cc1ccc2OCOc2c1)[*:1]
Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccccc3O)ccc21 Oc1ccccc1[*:1] Cn1c(=O)n(C)c2cc(ccc21)S(=O)(=O)N[*:1]
N#Cc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CC[*:1])N[C@@H](Cc1ccccc1)C1CC1
N#Cc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)CCC(=O)N[C@@H](Cc1ccccc1)[*:1]
N#Cc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 c1ccc(cc1)C[*:1] N#Cc1ccc(cc1)CCC(=O)N[C@@H](C1CC1)[*:1]
N#Cc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)CCC(=O)N[C@@H](C[*:1])C1CC1
COCC(=O)C[C@H]1CCO[C@@]2(CCSC2)C1 COCC(=O)[*:1] C1C[C@@H](C[C@]2(CCSC2)O1)C[*:1]
COCC(=O)C[C@H]1CCO[C@@]2(CCSC2)C1 COC[*:1] O=C(C[C@H]1CCO[C@@]2(CCSC2)C1)[*:1]
Cc1nc(C)n(Cc2cccc(NC(=O)N[C@@H]3CCC[C@]3(C)CO)c2)n1 Cc1nc(C)n(C[*:1])n1 C[C@]1(CO)CCC[C@H]1NC(=O)Nc1cccc(c1)[*:1]
Cc1nc(C)n(Cc2cccc(NC(=O)N[C@@H]3CCC[C@]3(C)CO)c2)n1 Cc1nc(C)n(n1)[*:1] C[C@]1(CO)CCC[C@H]1NC(=O)Nc1cccc(c1)C[*:1]
C[C@@H](C(=O)Nc1cccc(C#Cc2cccs2)c1)n1cnc2ccccc21 C(#C[*:1])c1cccs1 C[C@@H](C(=O)Nc1cccc(c1)[*:1])n1cnc2ccccc21
C[C@@H](C(=O)Nc1cccc(C#Cc2cccs2)c1)n1cnc2ccccc21 c1ccc2c(c1)ncn2[*:1] C[C@@H](C(=O)Nc1cccc(C#Cc2cccs2)c1)[*:1]
C[C@@H](C(=O)Nc1cccc(C#Cc2cccs2)c1)n1cnc2ccccc21 c1csc(c1)[*:1] C[C@@H](C(=O)Nc1cccc(C#C[*:1])c1)n1cnc2ccccc21
Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1F Cc1ccc(cc1F)C[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc(F)cc1
Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1F Cc1ccc(cc1F)[*:1] O=C(NC[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc(F)cc1
Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1F Fc1ccc(cc1)[*:1] Cc1ccc(cc1F)CNC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cnn(c1)C[*:1]
C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1cnn(c1)[*:1]
O=C(NCc1ccccc1Cn1cccn1)c1ccc([N+](=O)[O-])cc1Cl c1cnn(c1)[*:1] O=C(NCc1ccccc1C[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
O=C(NCc1ccccc1Cn1cccn1)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(NCc1ccccc1Cn1cccn1)c1ccc(cc1Cl)[*:1]
O=C(NCc1ccccc1Cn1cccn1)c1ccc([N+](=O)[O-])cc1Cl c1cnn(c1)C[*:1] O=C(NCc1ccccc1[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
CCC[NH2+][C@@H](Cc1nc2ccccc2n1C)C1CCCC1 C1CCC(C1)[*:1] CCC[NH2+][C@@H](Cc1nc2ccccc2n1C)[*:1]
CCC[NH2+][C@@H](Cc1nc2ccccc2n1C)C1CCCC1 CCC[*:1] Cn1c(C[C@H]([NH2+][*:1])C2CCCC2)nc2ccccc21
O=C(NCCc1cccs1)c1ccccc1CSC1=NCCS1 c1csc(c1)C[*:1] O=C(NC[*:1])c1ccccc1CSC1=NCCS1
O=C(NCCc1cccs1)c1ccccc1CSC1=NCCS1 c1csc(c1)[*:1] O=C(NCC[*:1])c1ccccc1CSC1=NCCS1
O=C(NCCc1cccs1)c1ccccc1CSC1=NCCS1 c1csc(c1)CC[*:1] O=C(N[*:1])c1ccccc1CSC1=NCCS1
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1Br CC(C)NS(=O)(=O)[*:1] Cc1ccc(cc1Br)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1Br Cc1ccc(cc1Br)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1Br CC(C)[*:1] Cc1ccc(cc1Br)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccc([C@H](Nc2nc3cc(C)nn3c3ccccc23)c2[nH+]ccn2C)cc1 COc1ccc(cc1)[*:1] Cc1cc2nc(N[C@H](c3[nH+]ccn3C)[*:1])c3ccccc3n2n1
O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc2c([nH]c1=O)CCCCC2 O=C(N1CCOCC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2CCCCCc2[nH]c1=O
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(OC(C)=O)cc1 CCOC(=O)[*:1] CC(=O)Oc1ccc(cc1)[C@@H]1C2C(=O)C[C@H](CC=2NC(C)=C1[*:1])c1cccs1
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(OC(C)=O)cc1 CC(=O)O[*:1] CCOC(=O)C1=C(C)NC2C[C@@H](CC(=O)C=2[C@H]1c1ccc(cc1)[*:1])c1cccs1
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(OC(C)=O)cc1 CC(=O)Oc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)NC2C[C@@H](CC(=O)C=2[C@@H]1[*:1])c1cccs1
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(OC(C)=O)cc1 c1csc(c1)[*:1] CCOC(=O)C1=C(C)NC2C[C@H](CC(=O)C=2[C@H]1c1ccc(cc1)OC(C)=O)[*:1]
COC(=O)Cn1/c(=N\C(=O)Cc2ccc(OC)c(C)c2)sc2cc(S(C)(=O)=O)ccc21 COc1ccc(cc1C)C[*:1] COC(=O)Cn1/c(=N\C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
COC(=O)Cn1/c(=N\C(=O)Cc2ccc(OC)c(C)c2)sc2cc(S(C)(=O)=O)ccc21 COC(=O)C[*:1] COc1ccc(cc1C)CC(=O)/N=c1/sc2cc(ccc2n1[*:1])S(C)(=O)=O
COC(=O)Cn1/c(=N\C(=O)Cc2ccc(OC)c(C)c2)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] COC(=O)Cn1/c(=N\C(=O)Cc2ccc(OC)c(C)c2)sc2cc(ccc21)[*:1]
COC(=O)Cn1/c(=N\C(=O)Cc2ccc(OC)c(C)c2)sc2cc(S(C)(=O)=O)ccc21 COC(=O)[*:1] COc1ccc(cc1C)CC(=O)/N=c1/sc2cc(ccc2n1C[*:1])S(C)(=O)=O
COC(=O)Cn1/c(=N\C(=O)Cc2ccc(OC)c(C)c2)sc2cc(S(C)(=O)=O)ccc21 COc1ccc(cc1C)[*:1] COC(=O)Cn1/c(=N\C(=O)C[*:1])sc2cc(ccc21)S(C)(=O)=O
C[C@H]1CN(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C[C@@H](C)O1 Clc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)N[C@@H](C)c1nc(no1)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)[C@@H](CC)NC(=O)O[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)[C@@H](CC)[*:1]
N#C[C@]1(NC2CC2)CCC[C@@H](Oc2ccc(F)cc2)C1 C1CC1N[*:1] N#C[C@@]1(CCC[C@H](C1)Oc1ccc(F)cc1)[*:1]
N#C[C@]1(NC2CC2)CCC[C@@H](Oc2ccc(F)cc2)C1 C1CC1[*:1] N#C[C@@]1(CCC[C@H](C1)Oc1ccc(F)cc1)N[*:1]
Cn1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1cccc(NC(=O)c2ccccc2O[*:1])c1=O
Cn1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1=O c1ccc(cc1)O[*:1] Cn1cccc(NC(=O)c2ccccc2[*:1])c1=O
Cn1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1=O Cn1cccc(c1=O)[*:1] O=C(N[*:1])c1ccccc1Oc1ccccc1
CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 CN(C)C(=O)[*:1] CCN(C[*:1])C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 CN(C)C(=O)C[*:1] CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[*:1]
CC(C)C(=O)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)OCc1nnc(o1)[*:1]
CC(C)C(=O)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 CC(C)C(=O)N[*:1] c1ccc(cc1)-c1nnc(COc2ccc(cc2)[*:1])o1
CC(C)C(=O)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)OCc1nnc(o1)-c1ccccc1)[*:1]
Cc1ccncc1NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 Cc1ccncc1[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)N[*:1]
Cc1ccncc1NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] Cc1ccncc1NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H](NC(C)=O)C(F)(F)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H](NC(C)=O)C(F)(F)[*:1]
CCOC(=O)[C@@H](NC(C)=O)C(F)(F)c1ccccc1 CC(=O)N[*:1] CCOC(=O)[C@@H](C(F)(F)c1ccccc1)[*:1]
CCOC(=O)[C@@H](NC(C)=O)C(F)(F)c1ccccc1 CCOC(=O)[*:1] CC(=O)N[C@@H](C(F)(F)c1ccccc1)[*:1]
Cc1ccc(-n2nnnc2N2CCN(c3ccc(O)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] Oc1ccc(cc1)N1CCN(CC1)c1nnnn1[*:1]
Cc1ccc(-n2nnnc2N2CCN(c3ccc(O)cc3)CC2)cc1 Oc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nnnc1N1CCN(CC1)[*:1]
Cc1nc2ncnn2c(NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1C CN(C)C(=O)[*:1] Cc1nc2ncnn2c(NC[C@@H]2CC[C@H](O2)[*:1])c1C
COc1ccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)c(C)c1C Cc1cc(C)cc(c1)[*:1] COc1ccc(/C=N/NC(=O)CO[*:1])c(C)c1C
N#Cc1c(F)cccc1[C@@](C#N)(c1ccccc1)[NH+]1CCOCC1 c1ccc(cc1)[*:1] N#Cc1c(F)cccc1[C@@](C#N)([NH+]1CCOCC1)[*:1]
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1csc(n1)/C(C#N)=C\N[*:1]
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)N[*:1] COc1ccc(cc1)-c1csc(n1)C(C#N)=C[*:1]
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3)n2)cc1 COc1ccc(cc1)[*:1] N#C/C(=C/Nc1ccc(F)cc1)c1nc(cs1)[*:1]
CC(C)(C)C1CCC(C#N)(C(C)(C)O)CC1 CC(C)(O)[*:1] CC(C)(C)C1CCC(C#N)(CC1)[*:1]
CC(C)(C)C1CCC(C#N)(C(C)(C)O)CC1 CC(C)(C)[*:1] CC(C)(O)C1(C#N)CCC(CC1)[*:1]
C/C=C/C=C/C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 C/C=C/C=C[*:1] O=C(c1cccc(c1)NC(=O)[*:1])N1CCCCC1
C/C=C/C=C/C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 CC=C[*:1] O=C(C=C[*:1])Nc1cccc(c1)C(=O)N1CCCCC1
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc([S@](C)=O)c1 C[S@](=O)[*:1] C[C@@H]1C[C@@H](CN1C(=O)Nc1cccc(c1)[*:1])c1ccc(F)cc1
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc([S@](C)=O)c1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1C(=O)Nc1cccc(c1)[S@](C)=O)[*:1]
CC(C)CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)CNC(=O)CNC(=O)c1ccc(cc1)O[*:1]
CC(C)CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 CC(C)C[*:1] O=C(CNC(=O)c1ccc(cc1)Oc1ccccc1)N[*:1]
CC(C)CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CC(C)CNC(=O)CNC(=O)c1ccc(cc1)[*:1]
CC(C)CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 CC(C)CNC(=O)C[*:1] O=C(N[*:1])c1ccc(cc1)Oc1ccccc1
CC(C)CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 CC(C)CNC(=O)[*:1] O=C(NC[*:1])c1ccc(cc1)Oc1ccccc1
CC(C)CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 CC(C)[*:1] O=C(CNC(=O)c1ccc(cc1)Oc1ccccc1)NC[*:1]
Cc1ccccc1O[C@H](C)CNc1c([N+](=O)[O-])c(C)nn1C Cc1ccccc1[*:1] Cc1nn(C)c(NC[C@@H](C)O[*:1])c1[N+](=O)[O-]
Cc1ccccc1O[C@H](C)CNc1c([N+](=O)[O-])c(C)nn1C O=[N+]([O-])[*:1] Cc1ccccc1O[C@H](C)CNc1c(c(C)nn1C)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(O)c1 Oc1cccc(c1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N[*:1]
C=CC[NH2+]CC(=O)Nc1ccc(SC2CCCC2)cc1 C1CCC(C1)S[*:1] C=CC[NH2+]CC(=O)Nc1ccc(cc1)[*:1]
C=CC[NH2+]CC(=O)Nc1ccc(SC2CCCC2)cc1 C1CCC(C1)[*:1] C=CC[NH2+]CC(=O)Nc1ccc(cc1)S[*:1]
Cc1[nH]c(-c2ccc(OCC(=O)[O-])cc2)[nH+]c1C O=C([O-])CO[*:1] Cc1[nH]c([nH+]c1C)-c1ccc(cc1)[*:1]
Cc1[nH]c(-c2ccc(OCC(=O)[O-])cc2)[nH+]c1C O=C([O-])[*:1] Cc1[nH]c([nH+]c1C)-c1ccc(cc1)OC[*:1]
Cc1[nH]c(-c2ccc(OCC(=O)[O-])cc2)[nH+]c1C O=C([O-])C[*:1] Cc1[nH]c([nH+]c1C)-c1ccc(cc1)O[*:1]
CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCc2ccc(C)cc2)s1 Cc1ccc(cc1)C[*:1] CCc1nc(C)c(s1)[C@@H](C)N(C)C(=O)NC[*:1]
CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCc2ccc(C)cc2)s1 Cc1ccc(cc1)[*:1] CCc1nc(C)c(s1)[C@@H](C)N(C)C(=O)NCC[*:1]
CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCc2ccc(C)cc2)s1 CCc1nc(C)c(s1)[*:1] Cc1ccc(cc1)CCNC(=O)N(C)[C@H](C)[*:1]
Cc1ccncc1NC(=O)/C=C/c1ccc(-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccncc1NC(=O)/C=C/c1ccc(s1)[*:1]
Cc1ccncc1NC(=O)/C=C/c1ccc(-c2ccccc2)s1 Cc1ccncc1[*:1] O=C(/C=C/c1ccc(s1)-c1ccccc1)N[*:1]
Cc1c(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c(=O)oc2cc(O)c(Cl)cc12 O=C([O-])[*:1] Cc1c(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)[*:1])c(=O)oc2cc(O)c(Cl)cc12
Cc1c(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c(=O)oc2cc(O)c(Cl)cc12 Clc1ccc(cc1)C[*:1] Cc1c(CC(=O)N[C@@H](C(=O)[O-])[*:1])c(=O)oc2cc(O)c(Cl)cc12
Cc1c(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c(=O)oc2cc(O)c(Cl)cc12 Clc1ccc(cc1)[*:1] Cc1c(CC(=O)N[C@@H](C[*:1])C(=O)[O-])c(=O)oc2cc(O)c(Cl)cc12
COc1cccc(NC(=O)C[C@@H](c2cccs2)n2cccc2)c1 c1csc(c1)[*:1] COc1cccc(c1)NC(=O)C[C@@H](n1cccc1)[*:1]
COc1cccc(NC(=O)C[C@@H](c2cccs2)n2cccc2)c1 c1ccn(c1)[*:1] COc1cccc(c1)NC(=O)C[C@@H](c1cccs1)[*:1]
CN(C(=O)NCc1ccc([N+]2=CCCC2)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)NCc1ccc(cc1)[N+]1=CCCC1)[*:1]
Cc1nn(C)c(C)c1CCNC(=O)[C@H]1COc2ccc(F)cc2C1 Cc1nn(C)c(C)c1[*:1] O=C(NCC[*:1])[C@H]1COc2ccc(F)cc2C1
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)cc1F Cc1ccc(cc1F)[*:1] C[C@H]1CN(C[C@@H]2CCCN2C(=O)N[C@H](C)[*:1])C[C@@H](C)O1
O=C(CCOc1ccccc1Cl)N1CCC[C@@H]2CCCC[C@H]21 Clc1ccccc1[*:1] O=C(CCO[*:1])N1CCC[C@@H]2CCCC[C@H]21
Cc1ccc([N+](=O)[O-])c(Oc2cccc([C@H](C)[NH3+])c2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)Oc1cccc(c1)[C@H](C)[NH3+])[*:1]
Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCN(CC1)C[C@@H](C)O
Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1S(C)(=O)=O C[C@@H](O)C[*:1] Cc1ccc(cc1S(C)(=O)=O)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1S(C)(=O)=O C[C@@H](O)[*:1] Cc1ccc(cc1S(C)(=O)=O)C(=O)N1CCN(CC1)C[*:1]
O=C(NC(CO)CO)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 OCC(CO)[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
CCN(c1cc(C(N)=S)ccn1)C(C)C CC(C)[*:1] CCN(c1cc(ccn1)C(N)=S)[*:1]
CCN(c1cc(C(N)=S)ccn1)C(C)C NC(=S)[*:1] CCN(c1cc(ccn1)[*:1])C(C)C
C[C@@H](Cc1cccs1)[NH2+][C@H](C)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Cc1cccs1)[NH2+][C@H](C)[C@@H](C)[*:1]
C[C@@H](Cc1cccs1)[NH2+][C@H](C)[C@@H](C)C(=O)[O-] c1csc(c1)[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)[C@@H](C)C(=O)[O-]
CCc1nn(C)cc1CNC(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 CC(C)[*:1] CCc1nn(C)cc1CNC(=O)N1CC[C@H](C1)S(=O)(=O)N[*:1]
CCc1nn(C)cc1CNC(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 CCc1nn(C)cc1[*:1] CC(C)NS(=O)(=O)[C@@H]1CCN(C1)C(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 CC(C)NS(=O)(=O)[*:1] CCc1nn(C)cc1CNC(=O)N1CC[C@@H](C1)[*:1]
CSc1ccc(CCNC(=O)c2cc(=O)nc3sc(N4CCCCCC4)nn23)cc1 CSc1ccc(cc1)C[*:1] O=C(NC[*:1])c1cc(=O)nc2sc(nn12)N1CCCCCC1
CSc1ccc(CCNC(=O)c2cc(=O)nc3sc(N4CCCCCC4)nn23)cc1 CSc1ccc(cc1)CC[*:1] O=C(N[*:1])c1cc(=O)nc2sc(nn12)N1CCCCCC1
CSc1ccc(CCNC(=O)c2cc(=O)nc3sc(N4CCCCCC4)nn23)cc1 C1CCCN(CC1)[*:1] CSc1ccc(cc1)CCNC(=O)c1cc(=O)nc2sc(nn12)[*:1]
CSc1ccc(CCNC(=O)c2cc(=O)nc3sc(N4CCCCCC4)nn23)cc1 CSc1ccc(cc1)[*:1] O=C(NCC[*:1])c1cc(=O)nc2sc(nn12)N1CCCCCC1
Cc1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@H](C)Oc1ccc(F)cc1
Cc1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])NC(=O)[C@H](C)O[*:1]
Cn1cnc(CNC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)n1 Cn1cnc(C[*:1])n1 O=C(N[*:1])N(CCCO)[C@@H]1CCCc2ccccc21
Cn1cnc(CNC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)n1 OCCC[*:1] Cn1cnc(CNC(=O)N([C@@H]2CCCc3ccccc32)[*:1])n1
Cn1cnc(CNC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])N(CCCO)[C@@H]1CCCc2ccccc21
Cn1cnc(CNC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)n1 OCC[*:1] Cn1cnc(CNC(=O)N(C[*:1])[C@@H]2CCCc3ccccc32)n1
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc2ncccc2c1 CCC[*:1] O=C(Nc1ccc2ncccc2c1)C(=O)N[C@@H]1C[C@H]1[*:1]
O=C(NCc1ccc(-c2ccc(Br)cc2)o1)[C@@H]1CCCN(c2cnccn2)C1 c1cnc(cn1)[*:1] O=C(NCc1ccc(o1)-c1ccc(Br)cc1)[C@@H]1CCCN(C1)[*:1]
O=C(NCc1ccc(-c2ccc(Br)cc2)o1)[C@@H]1CCCN(c2cnccn2)C1 Brc1ccc(cc1)[*:1] O=C(NCc1ccc(o1)[*:1])[C@@H]1CCCN(C1)c1cnccn1
O=C(CC1(O)CCCC1)NC[C@H](O)c1cccc(OC(F)F)c1 FC(F)[*:1] O=C(CC1(O)CCCC1)NC[C@H](O)c1cccc(c1)O[*:1]
O=C(CC1(O)CCCC1)NC[C@H](O)c1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(CC1(O)CCCC1)NC[C@H](O)c1cccc(c1)[*:1]
O=C(CC1(O)CCCC1)NC[C@H](O)c1cccc(OC(F)F)c1 OC1(CCCC1)[*:1] O=C(C[*:1])NC[C@H](O)c1cccc(c1)OC(F)F
O=C(CC1(O)CCCC1)NC[C@H](O)c1cccc(OC(F)F)c1 OC1(CCCC1)C[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)[*:1]
CC[NH+](C)Cc1cccc(CNC(=O)NC2CC[NH+](C3CC3)CC2)c1 C1CC1[*:1] CC[NH+](C)Cc1cccc(c1)CNC(=O)NC1CC[NH+](CC1)[*:1]
O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[*:1]
C[C@@H](OC(=O)c1cccc(-c2ccoc2)c1)[C@H]1CCOC1 c1cc(co1)[*:1] C[C@@H](OC(=O)c1cccc(c1)[*:1])[C@H]1CCOC1
C[C@@H](CNC(=O)NCc1cc[nH]n1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NCc1cc[nH]n1)c1nc(no1)[*:1]
C[C@@H](CNC(=O)NCc1cc[nH]n1)c1nc(-c2ccccc2)no1 c1cc(C[*:1])n[nH]1 C[C@@H](CNC(=O)N[*:1])c1nc(no1)-c1ccccc1
C[C@@H](CNC(=O)NCc1cc[nH]n1)c1nc(-c2ccccc2)no1 c1cc(n[nH]1)[*:1] C[C@@H](CNC(=O)NC[*:1])c1nc(no1)-c1ccccc1
CCSC[C@H](C)N(C)C(=O)N[C@@H]1CCC(=O)N(C)C1 CCSC[*:1] C[C@H](N(C)C(=O)N[C@@H]1CCC(=O)N(C)C1)[*:1]
CCSC[C@H](C)N(C)C(=O)N[C@@H]1CCC(=O)N(C)C1 CCSC[C@H](C)[*:1] CN1C[C@@H](CCC1=O)NC(=O)N(C)[*:1]
CCSC[C@H](C)N(C)C(=O)N[C@@H]1CCC(=O)N(C)C1 CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)N[C@@H]1CCC(=O)N(C)C1
Cn1cnc(CNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])Nc1cc(Cl)ccc1N1CCOCC1
Cn1cnc(CNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)n1 Cn1cnc(C[*:1])n1 O=C(Nc1cc(Cl)ccc1N1CCOCC1)N[*:1]
Cn1cnc(CNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)n1 C1CN(CCO1)[*:1] Cn1cnc(CNC(=O)Nc2cc(Cl)ccc2[*:1])n1
COC(=O)[C@H](CN1CC(=O)N(C)CC1=O)NC(C)=O CC(=O)N[*:1] COC(=O)[C@H](CN1CC(=O)N(C)CC1=O)[*:1]
COC(=O)[C@H](CN1CC(=O)N(C)CC1=O)NC(C)=O COC(=O)[*:1] CC(=O)N[C@@H](CN1CC(=O)N(C)CC1=O)[*:1]
COC[C@@H](NC(=O)Nc1ccc(C)nc1Cl)c1ccc(F)c(F)c1 COC[*:1] Cc1ccc(NC(=O)N[C@@H](c2ccc(F)c(F)c2)[*:1])c(Cl)n1
COC[C@@H](NC(=O)Nc1ccc(C)nc1Cl)c1ccc(F)c(F)c1 Cc1ccc(c(Cl)n1)[*:1] COC[C@@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)Nc1ccc(C)nc1Cl)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)Nc1ccc(C)nc1Cl)[*:1]
CCOCCCNC(=O)c1csnn1 CCOC[*:1] O=C(NCC[*:1])c1csnn1
CCOCCCNC(=O)c1csnn1 CCO[*:1] O=C(NCCC[*:1])c1csnn1
Cc1cccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1C Cc1cccc(c1C)[*:1] C[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)[*:1]
Cc1n[nH]c([O-])c1[C@H](c1c(C)[nH][nH]c1=O)[C@H]1CN(Cc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] Cc1n[nH]c([O-])c1[C@H](c1c(C)[nH][nH]c1=O)[C@H]1CN(C[*:1])c2ccccc21
Cc1n[nH]c([O-])c1[C@H](c1c(C)[nH][nH]c1=O)[C@H]1CN(Cc2ccccc2)c2ccccc21 c1ccc(cc1)C[*:1] Cc1n[nH]c([O-])c1[C@H](c1c(C)[nH][nH]c1=O)[C@H]1CN(c2ccccc21)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1
CC(=O)Nc1c(C)cc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1C C1CCC(CC1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N[C@@H]1C[C@H]1[*:1]
CC[C@@H](C)[C@H](O)c1ccc(COC)cc1 COC[*:1] CC[C@@H](C)[C@H](O)c1ccc(cc1)[*:1]
CC[C@@H](C)[C@H](O)c1ccc(COC)cc1 CC[C@@H](C)[*:1] COCc1ccc(cc1)[C@@H](O)[*:1]
C[C@H](c1cccs1)N(C)C(=O)c1nc(C(C)(C)C)n[nH]1 c1csc(c1)[*:1] C[C@H](N(C)C(=O)c1nc(n[nH]1)C(C)(C)C)[*:1]
C[C@H](c1cccs1)N(C)C(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)(C)[*:1] C[C@H](c1cccs1)N(C)C(=O)c1nc(n[nH]1)[*:1]
CC(C)Oc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 CC(C)O[*:1] O=C(NCc1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
CC(C)Oc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CC(C)Oc1ccc(cc1)NC(=O)NCc1ccc(cc1)[*:1]
CC(C)Oc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)O[*:1]
Cn1ncnc1CCNC(=O)CSc1ccc(C(F)(F)F)cn1 Cn1ncnc1C[*:1] O=C(CSc1ccc(cn1)C(F)(F)F)NC[*:1]
Cn1ncnc1CCNC(=O)CSc1ccc(C(F)(F)F)cn1 Cn1ncnc1[*:1] O=C(CSc1ccc(cn1)C(F)(F)F)NCC[*:1]
Cn1ncnc1CCNC(=O)CSc1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] Cn1ncnc1CCNC(=O)CSc1ccc(cn1)[*:1]
COCCc1nc(C)c([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)s1 COCC[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[*:1]
COCCc1nc(C)c([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)s1 COC[*:1] Cc1nc(C[*:1])sc1[C@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C
CC(C)[C@@H](C)CC(=O)N(C)CC(=O)N1CCOCC1 CC(C)[C@@H](C)C[*:1] CN(CC(=O)N1CCOCC1)C(=O)[*:1]
CC(C)[C@@H](C)CC(=O)N(C)CC(=O)N1CCOCC1 CC(C)[C@@H](C)[*:1] CN(CC(=O)N1CCOCC1)C(=O)C[*:1]
CC(C)[C@@H](C)CC(=O)N(C)CC(=O)N1CCOCC1 CC(C)[*:1] C[C@@H](CC(=O)N(C)CC(=O)N1CCOCC1)[*:1]
CO[C@H](C)C(=O)Nc1cc(-c2ncco2)ccc1C CO[C@H](C)[*:1] Cc1ccc(cc1NC(=O)[*:1])-c1ncco1
CO[C@H](C)C(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] CO[C@H](C)C(=O)Nc1cc(ccc1C)[*:1]
CN(C)c1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)c[nH+]1 C1CC1[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N1CC[NH+](CC1)C[*:1]
CN(C)c1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)c[nH+]1 C1CC1C[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N1CC[NH+](CC1)[*:1]
CN(C)c1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)c[nH+]1 CN(C)[*:1] O=C(Nc1ccc([nH+]c1)[*:1])N1CC[NH+](CC1)CC1CC1
O=C(c1ccc(SC(F)F)cc1)N1CCOC[C@H]1C1CC1 FC(F)[*:1] O=C(c1ccc(cc1)S[*:1])N1CCOC[C@H]1C1CC1
O=C(c1ccc(SC(F)F)cc1)N1CCOC[C@H]1C1CC1 FC(F)S[*:1] O=C(c1ccc(cc1)[*:1])N1CCOC[C@H]1C1CC1
O=C(c1ccc(SC(F)F)cc1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(c1ccc(cc1)SC(F)F)N1CCOC[C@@H]1[*:1]
CC(C)OC[C@@H](O)Cn1ccnc1C#N CC(C)[*:1] N#Cc1nccn1C[C@H](O)CO[*:1]
CC(C)OC[C@@H](O)Cn1ccnc1C#N CC(C)O[*:1] N#Cc1nccn1C[C@H](O)C[*:1]
CC(C)OC[C@@H](O)Cn1ccnc1C#N CC(C)OC[*:1] N#Cc1nccn1C[C@H](O)[*:1]
Cc1cccc(-c2ocnc2C(=O)NC2CC2)c1 C1CC1[*:1] Cc1cccc(c1)-c1ocnc1C(=O)N[*:1]
Cc1cccc(-c2ocnc2C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] Cc1cccc(c1)-c1ocnc1[*:1]
COc1ccc(/C=C/C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 c1coc(c1)[*:1] COc1ccc(/C=C/C(=O)NC[C@H]([NH+](C)C)[*:1])cc1
CCN(C)c1cccc(NC(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)c1 Fc1cc(ccc1Cl)[*:1] CCN(C)c1cccc(c1)NC(=O)N[C@H](CO)[*:1]
CCN(C)c1cccc(NC(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)c1 CCN(C)[*:1] O=C(Nc1cccc(c1)[*:1])N[C@H](CO)c1ccc(Cl)c(F)c1
CC(C)Oc1cccc(CNC(=O)N2CCC(C)(C)C2)c1 CC(C)[*:1] CC1(C)CCN(C1)C(=O)NCc1cccc(c1)O[*:1]
CC(C)Oc1cccc(CNC(=O)N2CCC(C)(C)C2)c1 CC(C)O[*:1] CC1(C)CCN(C1)C(=O)NCc1cccc(c1)[*:1]
Cc1ccccc1CNC(=O)C[C@@H]1OC(=O)c2ccccc21 Cc1ccccc1[*:1] O=C(C[C@@H]1OC(=O)c2ccccc21)NC[*:1]
CC(C)CC(=O)N[C@@]1(C(F)(F)F)[N-]C(c2ccccc2)=NC1=O CC(C)C[*:1] O=C1N=C([N-][C@@]1(NC(=O)[*:1])C(F)(F)F)c1ccccc1
CC(C)CC(=O)N[C@@]1(C(F)(F)F)[N-]C(c2ccccc2)=NC1=O CC(C)CC(=O)N[*:1] O=C1N=C([N-][C@@]1(C(F)(F)F)[*:1])c1ccccc1
CC(C)CC(=O)N[C@@]1(C(F)(F)F)[N-]C(c2ccccc2)=NC1=O CC(C)[*:1] O=C(C[*:1])N[C@]1([N-]C(=NC1=O)c1ccccc1)C(F)(F)F
CC(C)CC(=O)N[C@@]1(C(F)(F)F)[N-]C(c2ccccc2)=NC1=O c1ccc(cc1)[*:1] CC(C)CC(=O)N[C@]1([N-]C(=NC1=O)[*:1])C(F)(F)F
CC(C)CC(=O)N[C@@]1(C(F)(F)F)[N-]C(c2ccccc2)=NC1=O FC(F)(F)[*:1] CC(C)CC(=O)N[C@]1([N-]C(=NC1=O)c1ccccc1)[*:1]
CCOCCCNc1nnnn1-c1ccccc1 CCOCCC[*:1] c1ccc(cc1)-n1nnnc1N[*:1]
CCOCCCNc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] CCOCCCNc1nnnn1[*:1]
CCOCCCNc1nnnn1-c1ccccc1 CCO[*:1] c1ccc(cc1)-n1nnnc1NCCC[*:1]
CCOCCCNc1nnnn1-c1ccccc1 CCOC[*:1] c1ccc(cc1)-n1nnnc1NCC[*:1]
CCOCCCNc1nnnn1-c1ccccc1 CCOCC[*:1] c1ccc(cc1)-n1nnnc1NC[*:1]
[O-]c1nnc(SCc2ccccc2Cl)n2nc(-c3ccco3)cc12 c1coc(c1)[*:1] [O-]c1nnc(SCc2ccccc2Cl)n2nc(cc12)[*:1]
[O-]c1nnc(SCc2ccccc2Cl)n2nc(-c3ccco3)cc12 Clc1ccccc1C[*:1] [O-]c1nnc(S[*:1])n2nc(cc12)-c1ccco1
[O-]c1nnc(SCc2ccccc2Cl)n2nc(-c3ccco3)cc12 Clc1ccccc1[*:1] [O-]c1nnc(SC[*:1])n2nc(cc12)-c1ccco1
CSCC[C@@H](C)NC(=O)NCCc1cccc(Cl)c1 CSCC[C@@H](C)[*:1] O=C(NCCc1cccc(Cl)c1)N[*:1]
CSCC[C@@H](C)NC(=O)NCCc1cccc(Cl)c1 CSCC[*:1] C[C@@H](NC(=O)NCCc1cccc(Cl)c1)[*:1]
CSCC[C@@H](C)NC(=O)NCCc1cccc(Cl)c1 CSC[*:1] C[C@H](C[*:1])NC(=O)NCCc1cccc(Cl)c1
COCc1nnc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)s1 COCc1nnc(s1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[*:1]
COCc1nnc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)s1 COC[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nnc(s1)[*:1]
COCc1nnc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)s1 c1ccc(cc1)[*:1] COCc1nnc(NC(=O)Cc2c(C)nn(c2C)[*:1])s1
COc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nc(CCCO)nn32)c(OC)c1 OCC[*:1] COc1ccc(c(c1)OC)[C@H]1CC(=Nc2nc(C[*:1])nn21)c1ccc(Br)cc1
COc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nc(CCCO)nn32)c(OC)c1 OCCC[*:1] COc1ccc(c(c1)OC)[C@H]1CC(=Nc2nc(nn21)[*:1])c1ccc(Br)cc1
COc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nc(CCCO)nn32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] OCCCc1nc2N=C(C[C@@H](n2n1)[*:1])c1ccc(Br)cc1
COc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nc(CCCO)nn32)c(OC)c1 Brc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1CC(=Nc2nc(CCCO)nn21)[*:1]
CC(C)Cn1c(CO)cnc1SCC(=O)N1CCC(C)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)CSc1ncc(CO)n1C[*:1]
CC(C)Cn1c(CO)cnc1SCC(=O)N1CCC(C)CC1 CC(C)C[*:1] CC1CCN(CC1)C(=O)CSc1ncc(CO)n1[*:1]
CCS(=O)(=O)CCNC(=O)Nc1cccnc1 CCS(=O)(=O)[*:1] O=C(NCC[*:1])Nc1cccnc1
Cc1nc([C@@H]2CCCN2C(=O)Cc2ccccc2)ncc1C(N)=O NC(=O)[*:1] Cc1nc(ncc1[*:1])[C@@H]1CCCN1C(=O)Cc1ccccc1
Cc1nc([C@@H]2CCCN2C(=O)Cc2ccccc2)ncc1C(N)=O c1ccc(cc1)C[*:1] Cc1nc(ncc1C(N)=O)[C@@H]1CCCN1C(=O)[*:1]
Cc1nc([C@@H]2CCCN2C(=O)Cc2ccccc2)ncc1C(N)=O c1ccc(cc1)[*:1] Cc1nc(ncc1C(N)=O)[C@@H]1CCCN1C(=O)C[*:1]
Cc1c(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cccc1[N+](=O)[O-] Cc1c(cccc1[*:1])[N+](=O)[O-] O=C(Nc1ccccc1C(=O)[O-])c1ccc(cc1)NC(=O)[*:1]
Cc1c(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cccc1[N+](=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
Cc1c(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cccc1[N+](=O)[O-] O=C([O-])c1ccccc1[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1c(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(=O)[O-]
Cc1ccc2c(c1C)[C@H](N[C@@H](C)[C@H](O)c1ccc(F)c(F)c1)CCO2 Fc1ccc(cc1F)[*:1] Cc1ccc2OCC[C@@H](N[C@@H](C)[C@H](O)[*:1])c2c1C
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)N[C@@H]2CCCC2(C)C)CC1 CC1(C)CCC[C@H]1[*:1] C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC1)C(=O)N[*:1]
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccccc1OCc1ccccc1)OCO3 c1ccc(cc1)CO[*:1] N#CC1=C(N)Oc2cc3OCOc3cc2[C@H]1c1ccccc1[*:1]
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccccc1OCc1ccccc1)OCO3 c1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc3OCOc3cc2[C@H]1c1ccccc1OC[*:1]
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccccc1OCc1ccccc1)OCO3 c1ccc(cc1)C[*:1] N#CC1=C(N)Oc2cc3OCOc3cc2[C@H]1c1ccccc1O[*:1]
CC[C@H]([NH3+])C(=O)N(C)c1snc(C)c1C(=O)[O-] O=C([O-])[*:1] CC[C@H]([NH3+])C(=O)N(C)c1snc(C)c1[*:1]
CC(C)Oc1cccc(/C=C(/C#N)C(=O)Nc2ccncc2)c1 c1cc(ccn1)[*:1] CC(C)Oc1cccc(/C=C(/C#N)C(=O)N[*:1])c1
CC(C)Oc1cccc(/C=C(/C#N)C(=O)Nc2ccncc2)c1 CC(C)[*:1] N#C/C(=C/c1cccc(c1)O[*:1])C(=O)Nc1ccncc1
CC(C)Oc1cccc(/C=C(/C#N)C(=O)Nc2ccncc2)c1 CC(C)O[*:1] N#C/C(=C/c1cccc(c1)[*:1])C(=O)Nc1ccncc1
CC(C)(C)c1noc(CCCC(=O)NCc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)(C)c1noc(CCCC(=O)NC[*:1])n1
CC(C)(C)c1noc(CCCC(=O)NCc2ccc(F)cc2)n1 CC(C)(C)[*:1] O=C(CCCc1nc(no1)[*:1])NCc1ccc(F)cc1
CC(C)S(=O)(=O)[C@H](C)/C([O-])=N/c1nc2ccc(F)cn2n1 CC(C)[*:1] C[C@H](/C([O-])=N/c1nc2ccc(F)cn2n1)S(=O)(=O)[*:1]
CC(C)S(=O)(=O)[C@H](C)/C([O-])=N/c1nc2ccc(F)cn2n1 CC(C)S(=O)(=O)[*:1] C[C@H](/C([O-])=N/c1nc2ccc(F)cn2n1)[*:1]
COCCCNC(=O)CN1CCN(C(=O)Nc2ccncc2)CC1 COCCCNC(=O)[*:1] O=C(Nc1ccncc1)N1CCN(CC1)C[*:1]
COCCCNC(=O)CN1CCN(C(=O)Nc2ccncc2)CC1 c1cc(ccn1)[*:1] COCCCNC(=O)CN1CCN(CC1)C(=O)N[*:1]
COCCCNC(=O)CN1CCN(C(=O)Nc2ccncc2)CC1 COCC[*:1] O=C(CN1CCN(CC1)C(=O)Nc1ccncc1)NC[*:1]
COCCCNC(=O)CN1CCN(C(=O)Nc2ccncc2)CC1 COCCC[*:1] O=C(CN1CCN(CC1)C(=O)Nc1ccncc1)N[*:1]
COCCCNC(=O)CN1CCN(C(=O)Nc2ccncc2)CC1 COC[*:1] O=C(CN1CCN(CC1)C(=O)Nc1ccncc1)NCC[*:1]
C=C(C)CO/N=C(/N)Cc1ccccc1 C=C(C)C[*:1] N/C(Cc1ccccc1)=N/O[*:1]
C=C(C)CO/N=C(/N)Cc1ccccc1 C=C(C)[*:1] N/C(Cc1ccccc1)=N/OC[*:1]
CC(C)c1nc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C(C)(C)C)C(=O)[C@@H]24)O3)no1 CC(C)[*:1] CN(Cc1noc(n1)[*:1])C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)C(C)(C)C)O2
CC(C)c1nc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C(C)(C)C)C(=O)[C@@H]24)O3)no1 CC(C)c1nc(C[*:1])no1 CN(C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)C(C)(C)C)O2)[*:1]
CC(C)c1nc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C(C)(C)C)C(=O)[C@@H]24)O3)no1 CC(C)c1nc(no1)[*:1] CN(C[*:1])C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)C(C)(C)C)O2
CC(C)c1nc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C(C)(C)C)C(=O)[C@@H]24)O3)no1 CC(C)(C)[*:1] CC(C)c1nc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C(=O)[C@@H]24)[*:1])O3)no1
Cc1cc(C)n(-c2nnc(SCc3ncccc3C)n2N)n1 Cc1cccnc1[*:1] Cc1cc(C)n(n1)-c1nnc(SC[*:1])n1N
Cc1cc(C)n(-c2nnc(SCc3ncccc3C)n2N)n1 Cc1cc(C)n(n1)[*:1] Cc1cccnc1CSc1nnc(n1N)[*:1]
CCOc1ccc(C(=O)/C=C/Nc2ccc(S(N)(=O)=O)cc2)cc1 NS(=O)(=O)[*:1] CCOc1ccc(cc1)C(=O)/C=C/Nc1ccc(cc1)[*:1]
CCOc1ccc(C(=O)/C=C/Nc2ccc(S(N)(=O)=O)cc2)cc1 CCO[*:1] NS(=O)(=O)c1ccc(cc1)N/C=C/C(=O)c1ccc(cc1)[*:1]
CCCNc1nnc(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)s1 CCCN[*:1] C[C@@H](Sc1nnc(s1)[*:1])C(=O)NC(=O)Nc1ccccc1
CCCNc1nnc(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)s1 c1ccc(cc1)[*:1] CCCNc1nnc(S[C@H](C)C(=O)NC(=O)N[*:1])s1
CCCNc1nnc(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)s1 CCC[*:1] C[C@@H](Sc1nnc(N[*:1])s1)C(=O)NC(=O)Nc1ccccc1
CSC[C@H](C)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CSC[C@H](C)C(=O)NC1CCN(CC1)C(=O)[*:1]
CSC[C@H](C)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CSC[C@H](C)C(=O)NC1CCN(CC1)C(=O)CC[*:1]
CSC[C@H](C)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 CSC[*:1] C[C@H](C(=O)NC1CCN(CC1)C(=O)CCc1ccccc1)[*:1]
CSC[C@H](C)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CSC[C@H](C)C(=O)NC1CCN(CC1)C(=O)C[*:1]
C[C@H](NC(=O)c1cc(-c2ccco2)on1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)c1cc(on1)-c1ccco1)[*:1]
C[C@H](NC(=O)c1cc(-c2ccco2)on1)[C@H]1CCCO1 c1coc(c1)[*:1] C[C@H](NC(=O)c1cc(on1)[*:1])[C@H]1CCCO1
Cc1ccc([C@H](C)N2CC[NH2+]C[C@@H]2C(=O)N(C)C)cc1F CN(C)C(=O)[*:1] Cc1ccc(cc1F)[C@H](C)N1CC[NH2+]C[C@H]1[*:1]
CCOc1ccc(NC[C@@H](O)CN2CCOCC2)cn1 C1CN(CCO1)[*:1] CCOc1ccc(cn1)NC[C@@H](O)C[*:1]
CCOc1ccc(NC[C@@H](O)CN2CCOCC2)cn1 CCO[*:1] O[C@H](CNc1ccc(nc1)[*:1])CN1CCOCC1
C[C@@H](Cl)C1CCCCCC1 C[C@@H](Cl)[*:1] C1CCCC(CC1)[*:1]
O=C(Nc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2CCCc2c1)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(Br)cc1CN1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 COc1ccc(Br)cc1[*:1] COc1ccc(cc1OC)C(=O)N1CCN(CC1)C[*:1]
NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 NC(=O)CS[*:1] c1ccc(cc1)Cn1c(nnc1[*:1])-c1cccnc1
NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] NC(=O)CSc1nnc(-c2cccnc2)n1[*:1]
NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 NC(=O)[*:1] c1ccc(cc1)Cn1c(nnc1-c1cccnc1)SC[*:1]
NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 c1ccc(cc1)[*:1] NC(=O)CSc1nnc(-c2cccnc2)n1C[*:1]
NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 c1cncc(c1)[*:1] NC(=O)CSc1nnc(n1Cc1ccccc1)[*:1]
NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 NC(=O)C[*:1] c1ccc(cc1)Cn1c(nnc1-c1cccnc1)S[*:1]
COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)NC[*:1])C(=O)c1ccc(C)cc1
COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccccc2)c1 O=C(NCc1ccccc1)[*:1] COc1cccc(c1)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1ccc(C)cc1
COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccccc2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)N1C[C@@H](C(=O)NCc2ccccc2)[C@@H](C1)[*:1]
COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)N[*:1])C(=O)c1ccc(C)cc1
COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccccc2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)NCc1ccccc1)C(=O)[*:1]
NC(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 NC(=O)[*:1] O=C(c1cc([nH]n1)-c1ccc(F)cc1)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 Fc1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)c1cc([nH]n1)[*:1]
COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)c1 CC(C)c1cccc(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)c1 CC(C)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
CCc1ccc(CN(C)C(=O)CSc2cccc[n+]2[O-])cc1 [O-][n+]1ccccc1[*:1] CCc1ccc(cc1)CN(C)C(=O)CS[*:1]
COc1ccc(-c2csc(CNC(=O)CC3CCC3)c2)cc1 C1CC(C1)C[*:1] COc1ccc(cc1)-c1csc(c1)CNC(=O)[*:1]
COc1ccc(-c2csc(CNC(=O)CC3CCC3)c2)cc1 C1CC(C1)[*:1] COc1ccc(cc1)-c1csc(c1)CNC(=O)C[*:1]
CCC[C@@H](C)NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 CCC[C@@H](C)[*:1] O=C(N[*:1])c1cn2CCc3cc(Br)cc(c1=O)c32
CCC[C@@H](C)NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 CCC[*:1] C[C@@H](NC(=O)c1cn2CCc3cc(Br)cc(c1=O)c32)[*:1]
Cc1ccc(/C=C/C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)o1 O=C([O-])[*:1] Cc1ccc(/C=C/C(=O)N[C@](C)(C(F)(F)F)[*:1])o1
Cc1ccc(/C=C/C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(/C=C/C(=O)N[C@](C)(C(=O)[O-])[*:1])o1
Cc1ccc(/C=C/C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)o1 Cc1ccc(o1)[*:1] C[C@@](NC(=O)C=C[*:1])(C(=O)[O-])C(F)(F)F
Cc1nc(CCC[S@](=O)Cc2cnc(C)s2)cs1 Cc1nc(cs1)[*:1] Cc1ncc(C[S@@](=O)CCC[*:1])s1
Cc1nc(CCC[S@](=O)Cc2cnc(C)s2)cs1 Cc1ncc(s1)[*:1] Cc1nc(cs1)CCC[S@](=O)C[*:1]
CC(C)C[C@H](C[NH3+])CN1CCC(C(F)(F)F)CC1 CC(C)[*:1] [NH3+]C[C@H](CN1CCC(CC1)C(F)(F)F)C[*:1]
CC(C)C[C@H](C[NH3+])CN1CCC(C(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)C[C@H](C[NH3+])CN1CCC(CC1)[*:1]
CC(C)C[C@H](C[NH3+])CN1CCC(C(F)(F)F)CC1 CC(C)C[*:1] [NH3+]C[C@H](CN1CCC(CC1)C(F)(F)F)[*:1]
Nc1c(Cl)cnn1CCO OCC[*:1] Nc1c(Cl)cnn1[*:1]
O=C(NCc1cccnc1)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccco1 c1coc(c1)[*:1] O=C(NCc1cccnc1)[C@@H]1COC2(CCCCC2)N1C(=O)[*:1]
O=C(NCc1cccnc1)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccco1 c1cncc(c1)[*:1] O=C(NC[*:1])[C@@H]1COC2(CCCCC2)N1C(=O)c1ccco1
O=C(NCc1cccnc1)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccco1 c1cncc(c1)C[*:1] O=C(N[*:1])[C@@H]1COC2(CCCCC2)N1C(=O)c1ccco1
CN(CCCS(C)(=O)=O)C(=O)c1cc(F)cc(C(F)(F)F)c1 CS(=O)(=O)CCC[*:1] CN(C(=O)c1cc(F)cc(c1)C(F)(F)F)[*:1]
CN(CCCS(C)(=O)=O)C(=O)c1cc(F)cc(C(F)(F)F)c1 CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)c1cc(F)cc(c1)C(F)(F)F
CN(CCCS(C)(=O)=O)C(=O)c1cc(F)cc(C(F)(F)F)c1 CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)c1cc(F)cc(c1)C(F)(F)F
CN(CCCS(C)(=O)=O)C(=O)c1cc(F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] CN(CCCS(C)(=O)=O)C(=O)c1cc(F)cc(c1)[*:1]
CN(CCCS(C)(=O)=O)C(=O)c1cc(F)cc(C(F)(F)F)c1 CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)c1cc(F)cc(c1)C(F)(F)F
CCc1cccc(NC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 CC(C)(C)OC(=O)N[*:1] CCc1cccc(c1)NC(=O)N1CC[C@H](C1)C[*:1]
CCc1cccc(NC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 CCc1cccc(c1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCN(C1)C(=O)N[*:1]
CCc1cccc(NC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 CC(C)(C)[*:1] CCc1cccc(c1)NC(=O)N1CC[C@@H](CNC(=O)O[*:1])C1
O=C1C[C@@H](c2cc(=O)[nH]c(NCc3cccs3)n2)CN1C1CCCCC1 c1csc(c1)C[*:1] O=C1C[C@H](CN1C1CCCCC1)c1cc(=O)[nH]c(n1)N[*:1]
O=C1C[C@@H](c2cc(=O)[nH]c(NCc3cccs3)n2)CN1C1CCCCC1 c1csc(c1)[*:1] O=C1C[C@H](CN1C1CCCCC1)c1cc(=O)[nH]c(n1)NC[*:1]
O=C1C[C@@H](c2cc(=O)[nH]c(NCc3cccs3)n2)CN1C1CCCCC1 C1CCC(CC1)[*:1] O=C1C[C@H](CN1[*:1])c1cc(=O)[nH]c(n1)NCc1cccs1
O=C1C[C@@H](c2cc(=O)[nH]c(NCc3cccs3)n2)CN1C1CCCCC1 c1csc(c1)CN[*:1] O=C1C[C@H](CN1C1CCCCC1)c1cc(=O)[nH]c(n1)[*:1]
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NCC[*:1]
CC(C)(NCc1nc(-c2ccco2)no1)c1nccs1 c1coc(c1)[*:1] CC(C)(NCc1nc(no1)[*:1])c1nccs1
CC(C)(NCc1nc(-c2ccco2)no1)c1nccs1 c1csc(n1)[*:1] CC(C)(NCc1nc(no1)-c1ccco1)[*:1]
CC(C)[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1nc(C2CC2)no1 C1CCC(C1)[*:1] CC(C)[C@@H](NC(=O)N1CC[NH+](CC1)[*:1])c1nc(no1)C1CC1
CC(C)[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1nc(C2CC2)no1 CC(C)[*:1] O=C(N[C@@H](c1nc(no1)C1CC1)[*:1])N1CC[NH+](CC1)C1CCCC1
CC(C)[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H](NC(=O)N1CC[NH+](CC1)C1CCCC1)c1nc(no1)[*:1]
CC(C)[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@@H](NC(=O)N1CC[NH+](CC1)C1CCCC1)[*:1]
O=C(NCc1ccco1)c1cccc2c1CCN2C(=O)c1ccc(F)cc1 c1coc(c1)[*:1] O=C(NC[*:1])c1cccc2c1CCN2C(=O)c1ccc(F)cc1
O=C(NCc1ccco1)c1cccc2c1CCN2C(=O)c1ccc(F)cc1 O=C(NCc1ccco1)[*:1] O=C(c1ccc(F)cc1)N1CCc2c1cccc2[*:1]
O=C(NCc1ccco1)c1cccc2c1CCN2C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1ccco1)c1cccc2c1CCN2C(=O)[*:1]
O=C(NCc1ccco1)c1cccc2c1CCN2C(=O)c1ccc(F)cc1 c1coc(c1)C[*:1] O=C(N[*:1])c1cccc2c1CCN2C(=O)c1ccc(F)cc1
O=C(C[C@@H]1CCS(=O)(=O)C1)OCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@@H]1CCS(=O)(=O)C1)OCc1nccn1[*:1]
O=C(C[C@@H]1CCS(=O)(=O)C1)OCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1CCS(=O)(=O)C1)OCc1nccn1C[*:1]
C[C@H](CC(=O)N[C@H](C)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C[C@@H](C)[*:1])c1ccccc1
C[C@H](CC(=O)N[C@H](C)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N[C@H](C)[*:1])c1ccccc1
COc1cccc(N2CCN(C(=O)c3noc4c3CCc3sccc3-4)CC2)c1 COc1cccc(c1)[*:1] O=C(c1noc2-c3ccsc3CCc12)N1CCN(CC1)[*:1]
COc1ccccc1CNS(=O)(=O)CCCF FCCC[*:1] COc1ccccc1CNS(=O)(=O)[*:1]
COc1ccccc1CNS(=O)(=O)CCCF FCC[*:1] COc1ccccc1CNS(=O)(=O)C[*:1]
C[C@]1(c2ccc(Cl)s2)NC(=O)N(C[C@H](O)COCc2ccccc2)C1=O Clc1ccc(s1)[*:1] C[C@@]1(NC(=O)N(C[C@H](O)COCc2ccccc2)C1=O)[*:1]
C[C@]1(c2ccc(Cl)s2)NC(=O)N(C[C@H](O)COCc2ccccc2)C1=O c1ccc(cc1)CO[*:1] C[C@@]1(NC(=O)N(C[C@H](O)C[*:1])C1=O)c1ccc(Cl)s1
C[C@]1(c2ccc(Cl)s2)NC(=O)N(C[C@H](O)COCc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(C[C@H](O)COC[*:1])C1=O)c1ccc(Cl)s1
C[C@]1(c2ccc(Cl)s2)NC(=O)N(C[C@H](O)COCc2ccccc2)C1=O c1ccc(cc1)C[*:1] C[C@@]1(NC(=O)N(C[C@H](O)CO[*:1])C1=O)c1ccc(Cl)s1
COc1ccc(CNc2ccc3c(c2)CCN3C(C)=O)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CNc1ccc2c(c1)CCN2C(C)=O
COc1ccc(CNc2ccc3c(c2)CCN3C(C)=O)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CNc1ccc2c(c1)CCN2C(C)=O
CC(C)n1c(N)c(C(=O)CCl)c(=O)[nH]c1=O CC(C)[*:1] Nc1c(C(=O)CCl)c(=O)[nH]c(=O)n1[*:1]
CC(C)n1c(N)c(C(=O)CCl)c(=O)[nH]c1=O O=C(CCl)[*:1] CC(C)n1c(N)c(c(=O)[nH]c1=O)[*:1]
CC[C@@H](OC(=O)c1cccc(NC(C)=O)c1)C(=O)Nc1cc(C)on1 CC(=O)N[*:1] CC[C@@H](OC(=O)c1cccc(c1)[*:1])C(=O)Nc1cc(C)on1
CC[C@@H](OC(=O)c1cccc(NC(C)=O)c1)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@@H](OC(=O)c1cccc(c1)NC(C)=O)C(=O)N[*:1]
O=C(CSc1ccc(C(F)(F)F)cn1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1ccc(cn1)C(F)(F)F)NC[*:1]
O=C(CSc1ccc(C(F)(F)F)cn1)NCc1ccc(F)cc1 FC(F)(F)[*:1] O=C(CSc1ccc(cn1)[*:1])NCc1ccc(F)cc1
CC[C@](C)(CCO)NC(=O)Nc1ccc2c(c1)COC2 OCC[*:1] CC[C@](C)(NC(=O)Nc1ccc2COCc2c1)[*:1]
Cc1c(NC(=O)CCC2CCCCC2)cccc1N1CCOC1=O C1CCC(CC1)[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)CC[*:1]
Cc1c(NC(=O)CCC2CCCCC2)cccc1N1CCOC1=O C1CCC(CC1)CC[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)[*:1]
Cc1c(NC(=O)CCC2CCCCC2)cccc1N1CCOC1=O O=C1OCCN1[*:1] Cc1c(cccc1[*:1])NC(=O)CCC1CCCCC1
Cc1c(NC(=O)CCC2CCCCC2)cccc1N1CCOC1=O C1CCC(CC1)C[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)C[*:1]
Nc1ccc2nc(NCC3CCOCC3)oc2c1 C1CC(CCO1)[*:1] Nc1ccc2nc(NC[*:1])oc2c1
O=[N+]([O-])c1ccc(C2=C[C@@H](c3cccc([N+](=O)[O-])c3)[NH+]=N2)cc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(cc1)C1=C[C@H]([NH+]=N1)c1cccc(c1)[*:1]
O=[N+]([O-])c1ccc(C2=C[C@@H](c3cccc([N+](=O)[O-])c3)[NH+]=N2)cc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cccc(c1)[C@@H]1C=C(N=[NH+]1)c1ccc(cc1)[*:1]
CCC[C@H](C#N)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C CCC[*:1] CC(C)[C@@H](C(=O)N[C@@H](C#N)[*:1])c1cccc(Cl)c1
CCC[C@H](C#N)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C CCC[C@H](C#N)[*:1] CC(C)[C@@H](C(=O)N[*:1])c1cccc(Cl)c1
CCC[C@H](C#N)NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C CC(C)[*:1] CCC[C@H](C#N)NC(=O)[C@@H](c1cccc(Cl)c1)[*:1]
COc1ccc2cc(CNc3ncc(C(N)=O)cc3Cl)ccc2c1 NC(=O)[*:1] COc1ccc2cc(ccc2c1)CNc1ncc(cc1Cl)[*:1]
COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccccc1Br COC(=O)[*:1] CC1=C([C@H](NC(=O)N1Cc1cccs1)c1ccccc1Br)[*:1]
COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccccc1Br Brc1ccccc1[*:1] COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1[*:1]
COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccccc1Br c1csc(c1)C[*:1] COC(=O)C1=C(C)N(C(=O)N[C@@H]1c1ccccc1Br)[*:1]
COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1ccccc1Br c1csc(c1)[*:1] COC(=O)C1=C(C)N(C[*:1])C(=O)N[C@@H]1c1ccccc1Br
C/C(=N/O)c1cccc(NC(=O)c2ccc(C)cc2F)c1 CC(=NO)[*:1] Cc1ccc(C(=O)Nc2cccc(c2)[*:1])c(F)c1
C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 Brc1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 Brc1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cccc(c1)[*:1]
C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 Brc1ccc(cc1)CC[*:1] C[C@H](NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)[*:1]
CCCC(=O)N1CCN(C2CC2)C[C@H]1c1ccccc1 CCC[*:1] O=C(N1CCN(C[C@H]1c1ccccc1)C1CC1)[*:1]
CCCC(=O)N1CCN(C2CC2)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCCC(=O)N1CCN(C[C@@H]1[*:1])C1CC1
CCCC(=O)N1CCN(C2CC2)C[C@H]1c1ccccc1 C1CC1[*:1] CCCC(=O)N1CCN(C[C@H]1c1ccccc1)[*:1]
O=C(CCC(=O)Nc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCC(=O)Nc1ccccc1)NNC(=O)N[*:1]
O=C(CCC(=O)Nc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(CCC(=O)N[*:1])NNC(=O)Nc1ccc(Cl)cc1
CCCC[C@@H](c1nnnn1C(C)(C)CC)N1CC[NH+](C)CC1 CCC[*:1] CCC(C)(C)n1nnnc1[C@H](C[*:1])N1CC[NH+](C)CC1
CCCC[C@@H](c1nnnn1C(C)(C)CC)N1CC[NH+](C)CC1 CCCC[*:1] CCC(C)(C)n1nnnc1[C@@H](N1CC[NH+](C)CC1)[*:1]
CCCC[C@@H](c1nnnn1C(C)(C)CC)N1CC[NH+](C)CC1 CCC(C)(C)[*:1] CCCC[C@@H](c1nnnn1[*:1])N1CC[NH+](C)CC1
CCOCc1ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc1 CCO[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)C[*:1]
CCOCc1ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc1 CCOC[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C)cc2)c1 Cc1cccc(c1)[*:1] C[C@H]1OCC[C@H]1C(=O)NCc1ccc(cc1)[*:1]
COCc1ccccc1NC(=O)NCCn1c(C2CC2)n[nH]c1=S C1CC1[*:1] COCc1ccccc1NC(=O)NCCn1c(n[nH]c1=S)[*:1]
COCc1ccccc1NC(=O)NCCn1c(C2CC2)n[nH]c1=S COC[*:1] O=C(NCCn1c(n[nH]c1=S)C1CC1)Nc1ccccc1[*:1]
Cc1[nH]c2cccc(C(=O)N3CCC[C@H](c4ccc(C(=O)NCC5CC5)cn4)C3)c2c1C O=C(NCC1CC1)[*:1] Cc1[nH]c2cccc(C(=O)N3CCC[C@@H](C3)c3ccc(cn3)[*:1])c2c1C
Cc1[nH]c2cccc(C(=O)N3CCC[C@H](c4ccc(C(=O)NCC5CC5)cn4)C3)c2c1C C1CC1[*:1] Cc1[nH]c2cccc(C(=O)N3CCC[C@@H](C3)c3ccc(cn3)C(=O)NC[*:1])c2c1C
Cc1[nH]c2cccc(C(=O)N3CCC[C@H](c4ccc(C(=O)NCC5CC5)cn4)C3)c2c1C C1CC1C[*:1] Cc1[nH]c2cccc(C(=O)N3CCC[C@@H](C3)c3ccc(cn3)C(=O)N[*:1])c2c1C
C=CCn1c(-c2ccc(Cl)cc2)nn(C[NH+]2CCC(C(=O)Nc3cccc(C)n3)CC2)c1=S Clc1ccc(cc1)[*:1] C=CCn1c(nn(C[NH+]2CCC(CC2)C(=O)Nc2cccc(C)n2)c1=S)[*:1]
C=CCn1c(-c2ccc(Cl)cc2)nn(C[NH+]2CCC(C(=O)Nc3cccc(C)n3)CC2)c1=S Cc1cccc(n1)[*:1] C=CCn1c(nn(C[NH+]2CCC(CC2)C(=O)N[*:1])c1=S)-c1ccc(Cl)cc1
C=CCn1c(-c2ccc(Cl)cc2)nn(C[NH+]2CCC(C(=O)Nc3cccc(C)n3)CC2)c1=S Cc1cccc(n1)NC(=O)[*:1] C=CCn1c(nn(C[NH+]2CCC(CC2)[*:1])c1=S)-c1ccc(Cl)cc1
C=CCn1c(-c2ccc(Cl)cc2)nn(C[NH+]2CCC(C(=O)Nc3cccc(C)n3)CC2)c1=S C=CC[*:1] Cc1cccc(n1)NC(=O)C1CC[NH+](CC1)Cn1nc(-c2ccc(Cl)cc2)n(c1=S)[*:1]
CN(CC(=O)N1CCC[C@@H]1c1nc(C2CC2)no1)S(C)(=O)=O C1CC1[*:1] CN(CC(=O)N1CCC[C@@H]1c1nc(no1)[*:1])S(C)(=O)=O
CN(CC(=O)N1CCC[C@@H]1c1nc(C2CC2)no1)S(C)(=O)=O CN(C[*:1])S(C)(=O)=O O=C(N1CCC[C@@H]1c1nc(no1)C1CC1)[*:1]
CN(CC(=O)N1CCC[C@@H]1c1nc(C2CC2)no1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(C[*:1])N1CCC[C@@H]1c1nc(no1)C1CC1
CCN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccccc1C1CC1 C1CC1[*:1] CCN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccccc1[*:1]
CCN(CC)S(=O)(=O)c1cccnc1N1CCN(CCO)CC1 OCC[*:1] CCN(CC)S(=O)(=O)c1cccnc1N1CCN(CC1)[*:1]
C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cn1 Cn1cc(cn1)[*:1] C[C@H]([NH2+][C@H]1CCCN(C1)[*:1])c1ccc(F)cn1
C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H]([NH2+][C@H]1CCCN(C1)c1cnn(C)c1)[*:1]
COc1ccccc1CC(=O)NNC(=O)c1oc2ccc(Cl)cc2c1C COc1ccccc1[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)NNC(=O)C[*:1]
COc1cc(NS(=O)(=O)c2cn(C)nc2C)cc(OC)c1OC Cc1nn(C)cc1[*:1] COc1cc(cc(OC)c1OC)NS(=O)(=O)[*:1]
Cc1ccc(C(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)cc1Br Cc1ccc(cc1Br)[*:1] O=C(Cc1cccc2ccccc12)NC(=S)NNC(=O)[*:1]
O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cnc(s1)[*:1]
Cc1ccc(N2C[C@H](C(=O)N3CCO[C@@H](C)C3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] C[C@H]1CN(CCO1)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
O=C(NC1CCCC1)c1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] O=C(NC1CCCC1)c1cccc(c1)[*:1]
O=C(NC1CCCC1)c1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] O=C(NC1CCCC1)c1cccc(c1)C[*:1]
O=C(NC1CCCC1)c1cccc(Cn2cccn2)c1 C1CCC(C1)[*:1] O=C(N[*:1])c1cccc(c1)Cn1cccn1
CSCc1ccc(C(=O)N[C@@H](C#N)c2ccccc2C)cc1 CSC[*:1] Cc1ccccc1[C@H](C#N)NC(=O)c1ccc(cc1)[*:1]
CSCc1ccc(C(=O)N[C@@H](C#N)c2ccccc2C)cc1 Cc1ccccc1[*:1] CSCc1ccc(cc1)C(=O)N[C@@H](C#N)[*:1]
CCNC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 CCNC(=O)[*:1] CC(=O)Nc1ccc(cc1)S[C@H](C)[*:1]
CCNC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCNC(=O)[C@@H](C)Sc1ccc(cc1)[*:1]
Cc1c(C(=O)O[C@H](C)Cn2cccn2)cnn1-c1ccccc1F c1cnn(c1)[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)O[C@H](C)C[*:1]
Cc1c(C(=O)O[C@H](C)Cn2cccn2)cnn1-c1ccccc1F c1cnn(c1)C[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)O[C@H](C)[*:1]
Cc1c(C(=O)O[C@H](C)Cn2cccn2)cnn1-c1ccccc1F Fc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)O[C@H](C)Cn1cccn1
Cc1c(C(=O)N(CC(N)=O)C(C)C)nnn1-c1cccc(Cl)c1 NC(=O)C[*:1] Cc1c(nnn1-c1cccc(Cl)c1)C(=O)N(C(C)C)[*:1]
Cc1c(C(=O)N(CC(N)=O)C(C)C)nnn1-c1cccc(Cl)c1 CC(C)[*:1] Cc1c(nnn1-c1cccc(Cl)c1)C(=O)N(CC(N)=O)[*:1]
Cc1c(C(=O)N(CC(N)=O)C(C)C)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(nnn1[*:1])C(=O)N(CC(N)=O)C(C)C
Cc1c(C(=O)N(CC(N)=O)C(C)C)nnn1-c1cccc(Cl)c1 NC(=O)[*:1] Cc1c(nnn1-c1cccc(Cl)c1)C(=O)N(C[*:1])C(C)C
COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCCCC1
N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)C[NH2+][C@H](c1ccc(F)cc1)[*:1]
N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)cc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(cc1)C[NH2+][C@H](C1CC1)[*:1]
Cc1cc(-c2ccc(S(C)(=O)=O)cc2)nc(C2CC[NH2+]CC2)n1 CS(=O)(=O)[*:1] Cc1cc(nc(n1)C1CC[NH2+]CC1)-c1ccc(cc1)[*:1]
C[C@H](c1ccco1)N(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 c1coc(c1)[*:1] C[C@H](N(C(=O)NCC1CCN(CC1)c1cc[nH+]cc1)C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 C[C@H](c1ccco1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N(C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 C1CC1[*:1] C[C@H](c1ccco1)N(C(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CN(CCc1ccccn1)c1nc[nH+]c2nc(N)ccc12 c1ccc(C[*:1])nc1 CN(C[*:1])c1nc[nH+]c2nc(N)ccc12
CN(CCc1ccccn1)c1nc[nH+]c2nc(N)ccc12 c1ccc(nc1)[*:1] CN(CC[*:1])c1nc[nH+]c2nc(N)ccc12
Cc1ccc(OCc2nc(C)c(C(=O)Nc3cccc(F)c3)s2)cc1C Cc1ccc(cc1C)[*:1] Cc1nc(CO[*:1])sc1C(=O)Nc1cccc(F)c1
Cc1ccc(OCc2nc(C)c(C(=O)Nc3cccc(F)c3)s2)cc1C Fc1cccc(c1)[*:1] Cc1ccc(cc1C)OCc1nc(C)c(s1)C(=O)N[*:1]
CCC[NH+]1CCc2c(sc(NC(=O)c3ccnn3C)c2C(=O)OC)C1 COC(=O)[*:1] CCC[NH+]1CCc2c(C1)sc(NC(=O)c1ccnn1C)c2[*:1]
CCC[NH+]1CCc2c(sc(NC(=O)c3ccnn3C)c2C(=O)OC)C1 Cn1nccc1[*:1] CCC[NH+]1CCc2c(C1)sc(NC(=O)[*:1])c2C(=O)OC
CCC[NH+]1CCc2c(sc(NC(=O)c3ccnn3C)c2C(=O)OC)C1 CCC[*:1] COC(=O)c1c(NC(=O)c2ccnn2C)sc2C[NH+](CCc21)[*:1]
C[C@@H](CCc1cccn1C)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 Cn1cccc1[*:1] C[C@@H](CC[*:1])NC(=O)N[C@H]1CC(=O)N(C1)C(C)(C)C
C[C@@H](CCc1cccn1C)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 Cn1cccc1C[*:1] C[C@@H](C[*:1])NC(=O)N[C@H]1CC(=O)N(C1)C(C)(C)C
C[C@@H](CCc1cccn1C)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 Cn1cccc1CC[*:1] C[C@@H](NC(=O)N[C@H]1CC(=O)N(C1)C(C)(C)C)[*:1]
C[C@@H](CCc1cccn1C)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] C[C@@H](CCc1cccn1C)NC(=O)N[C@H]1CC(=O)N(C1)[*:1]
CN(Cc1cccc(C#N)c1)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 N#Cc1cccc(c1)[*:1] CN(C[*:1])C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1
CN(Cc1cccc(C#N)c1)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] CN(Cc1cccc(C#N)c1)C(=O)C[C@H](O)[*:1]
Cc1cccc(OCC[NH2+][C@H](C)c2ccc(Cl)s2)c1 Clc1ccc(s1)[*:1] Cc1cccc(c1)OCC[NH2+][C@H](C)[*:1]
Cn1cncc1C(=O)Nc1ccc(OC(=O)c2ccnn2C)cc1 Cn1cncc1[*:1] Cn1nccc1C(=O)Oc1ccc(cc1)NC(=O)[*:1]
Cn1cncc1C(=O)Nc1ccc(OC(=O)c2ccnn2C)cc1 Cn1nccc1[*:1] Cn1cncc1C(=O)Nc1ccc(cc1)OC(=O)[*:1]
[NH3+][C@@H]1CC[C@@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] [NH3+][C@@H]1CC[C@H](C1)Oc1cc(F)c(Br)cc1[*:1]
CC(C)[C@@]1(c2cncc3ccccc23)CCC[NH2+]1 CC(C)[*:1] c1ccc2c(cncc2c1)[C@]1(CCC[NH2+]1)[*:1]
CS(=O)(=O)N1CCCN(Cc2ncn(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCCN(CC1)Cc1ncn(n1)[*:1]
CC(=O)C1=C(C)C(C(=O)NCc2ccc(-n3ccnc3)cc2)=N[C@H]1C c1cn(cn1)[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)NCc1ccc(cc1)[*:1]
CC(=O)C1=C(C)C(C(=O)NCc2ccc(-n3ccnc3)cc2)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)NCc1ccc(cc1)-n1ccnc1
CCc1cccc(C)c1NC(=O)C[NH+](C)Cc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)C[NH+](C)C[*:1]
CCNC(=O)N(C1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] CCNC(=O)N(C1CCCCC1)[*:1]
CCOC(=O)N1CCC(NC(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)[*:1]
O=C(NC[C@@H](O)c1ccsc1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NC[C@@H](O)c1ccsc1)c1ccccc1[*:1]
O=C(NC[C@@H](O)c1ccsc1)c1ccccc1C(F)(F)F O[C@@H](c1ccsc1)[*:1] O=C(NC[*:1])c1ccccc1C(F)(F)F
O=C(NC[C@@H](O)c1ccsc1)c1ccccc1C(F)(F)F c1cc(cs1)[*:1] O=C(NC[C@@H](O)[*:1])c1ccccc1C(F)(F)F
Cc1ccc(CC(=O)N2CCCCC[C@H]2c2cccn2C)cn1 Cn1cccc1[*:1] Cc1ccc(cn1)CC(=O)N1CCCCC[C@@H]1[*:1]
Cc1ccc(CC(=O)N2CCCCC[C@H]2c2cccn2C)cn1 Cc1ccc(cn1)[*:1] Cn1cccc1[C@@H]1CCCCCN1C(=O)C[*:1]
COc1ccccc1[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1C(=O)NCc1ccccc1 COc1ccccc1[*:1] O=C(NCc1ccccc1)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1ccc(Cl)cc1
COc1ccccc1[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1C(=O)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] COc1ccccc1[C@H]1CN(C[C@@H]1[*:1])C(=O)c1ccc(Cl)cc1
COc1ccccc1[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@H]1CN(C[C@H]1C(=O)NC[*:1])C(=O)c1ccc(Cl)cc1
COc1ccccc1[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1C(=O)NCc1ccccc1 Clc1ccc(cc1)[*:1] COc1ccccc1[C@H]1CN(C[C@H]1C(=O)NCc1ccccc1)C(=O)[*:1]
COc1ccccc1[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] COc1ccccc1[C@H]1CN(C[C@H]1C(=O)N[*:1])C(=O)c1ccc(Cl)cc1
COCc1ccc(C(=O)NCc2cc(Cl)ccc2OC(F)F)cc1 FC(F)O[*:1] COCc1ccc(cc1)C(=O)NCc1cc(Cl)ccc1[*:1]
COCc1ccc(C(=O)NCc2cc(Cl)ccc2OC(F)F)cc1 FC(F)[*:1] COCc1ccc(cc1)C(=O)NCc1cc(Cl)ccc1O[*:1]
COCc1ccc(C(=O)NCc2cc(Cl)ccc2OC(F)F)cc1 COC[*:1] O=C(NCc1cc(Cl)ccc1OC(F)F)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c([N+](=O)[O-])c1 Cc1ccc(o1)[*:1] COc1ccc(NC(=O)NC[C@@H](N2CCOCC2)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c([N+](=O)[O-])c1 C1CN(CCO1)[*:1] COc1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c(c1)[*:1]
O=C1[C@H](Sc2ccccc2)CCCN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@@H](CCCN1[*:1])Sc1ccccc1
O=C1[C@H](Sc2ccccc2)CCCN1Cc1ccccc1 c1ccc(cc1)S[*:1] O=C1[C@H](CCCN1Cc1ccccc1)[*:1]
O=C1[C@H](Sc2ccccc2)CCCN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](CCCN1C[*:1])Sc1ccccc1
O=C1[C@H](Sc2ccccc2)CCCN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)S[*:1]
C[C@@H](CC(=O)NNc1nc(-c2ccccc2)no1)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@@H](CC(=O)NNc1nc(no1)-c1ccccc1)NC(=O)[*:1]
C[C@@H](CC(=O)NNc1nc(-c2ccccc2)no1)NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 C[C@@H](CC(=O)NNc1nc(no1)-c1ccccc1)[*:1]
C[C@@H](CC(=O)NNc1nc(-c2ccccc2)no1)NC(=O)C1CCCC1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)NNc1nc(no1)[*:1])NC(=O)C1CCCC1
Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCCCC1 CC(C)CCNC(=O)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)[*:1]
Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCCCC1 CC(C)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)NCC[*:1]
Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCCCC1 CC(C)C[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)NC[*:1]
Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCCCC1 CC(C)CC[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N[*:1]
Cc1ccccc1NC(=O)[C@@H](C)N1CCn2c(nn(C)c2=O)C1 Cc1ccccc1[*:1] C[C@H](C(=O)N[*:1])N1CCn2c(C1)nn(C)c2=O
CCCCNC(=O)Nc1cc(Cl)ccc1F CCC[*:1] O=C(NC[*:1])Nc1cc(Cl)ccc1F
CCCCNC(=O)Nc1cc(Cl)ccc1F CCCC[*:1] O=C(Nc1cc(Cl)ccc1F)N[*:1]
O=C(Nc1ccc(N2CCCCC2)nc1)c1cccc2cccnc12 C1CCN(CC1)[*:1] O=C(Nc1ccc(nc1)[*:1])c1cccc2cccnc12
Fc1cncc(CCc2nc(C3CC3)no2)c1 C1CC1[*:1] Fc1cncc(c1)CCc1nc(no1)[*:1]
COCCn1ccc2ccc(NC(=O)N3CC[NH+](CC(C)C)CC3)cc21 CC(C)C[*:1] COCCn1ccc2ccc(cc21)NC(=O)N1CC[NH+](CC1)[*:1]
COCCn1ccc2ccc(NC(=O)N3CC[NH+](CC(C)C)CC3)cc21 COCC[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)N3CC[NH+](CC(C)C)CC3)cc21 CC(C)[*:1] COCCn1ccc2ccc(cc21)NC(=O)N1CC[NH+](CC1)C[*:1]
COCCn1ccc2ccc(NC(=O)N3CC[NH+](CC(C)C)CC3)cc21 COC[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)Nc1ccc2ccn(C[*:1])c2c1
C[C@H]1CN(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C[C@@H](C)O1 Clc1ccc(cc1)[*:1] C[C@H]1CN(CC(=O)N(C)[C@@H](C)[*:1])C[C@@H](C)O1
CC(C)[C@@H](CO)NC(=O)NC[C@@H]1CCC[C@@H](C)C1 CC(C)[C@@H](CO)[*:1] C[C@@H]1CCC[C@@H](CNC(=O)N[*:1])C1
CC(C)[C@@H](CO)NC(=O)NC[C@@H]1CCC[C@@H](C)C1 CC(C)[*:1] C[C@@H]1CCC[C@@H](CNC(=O)N[C@H](CO)[*:1])C1
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] COc1ccc(Cl)cc1/C=C(/C#N)C(=O)N[*:1]
COC(=O)c1ccccc1CNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 COC(=O)[*:1] C[C@@H]1CN(Cc2ccccc2NCc2ccccc2[*:1])C[C@@H](C)O1
COC[C@@]1(C)C[NH+]=C(N)N1C COC[*:1] CN1C(N)=[NH+]C[C@@]1(C)[*:1]
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H](C)c1cnc(C)nc1C Cc1ncc(c(C)n1)[*:1] CO[C@H]1CN(C[C@H]1N[C@@H](C)[*:1])C(=O)OC(C)(C)C
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H](C)c1cnc(C)nc1C CC(C)(C)[*:1] CO[C@H]1CN(C[C@H]1N[C@@H](C)c1cnc(C)nc1C)C(=O)O[*:1]
CC(=O)N(CCC(=O)N[C@H]1C[C@@H]1C)Cc1ccccc1 c1ccc(cc1)[*:1] CC(=O)N(CCC(=O)N[C@H]1C[C@@H]1C)C[*:1]
C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1cncc2ccccc12 C1CC1n1nnnc1[*:1] C[C@H](S[*:1])C(=O)Nc1cncc2ccccc12
C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1cncc2ccccc12 C1CC1[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)Nc1cncc2ccccc12
O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 c1cc2OCOc2cc1C[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 O=C1CCCN1[*:1] O=C(NCc1ccc2OCOc2c1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)C(=O)NCCC[NH2+][C@@H](C)C(C)C CC(C)[*:1] CC(C)C(=O)NCCC[NH2+][C@@H](C)[*:1]
CC(C)C(=O)NCCC[NH2+][C@@H](C)C(C)C CC(C)[*:1] CC(C)[C@H](C)[NH2+]CCCNC(=O)[*:1]
O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2ccco2)n1 O=[N+]([O-])[*:1] c1coc(c1)-c1nc(n[nH]1)-c1ccccc1[*:1]
O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2ccco2)n1 c1coc(c1)[*:1] O=[N+]([O-])c1ccccc1-c1n[nH]c(n1)[*:1]
Cc1nc(COc2cccc(C(=O)N3CCCS3(=O)=O)c2)cs1 Cc1nc(cs1)C[*:1] O=C(c1cccc(c1)O[*:1])N1CCCS1(=O)=O
Cc1nc(COc2cccc(C(=O)N3CCCS3(=O)=O)c2)cs1 Cc1nc(cs1)[*:1] O=C(c1cccc(c1)OC[*:1])N1CCCS1(=O)=O
Cc1cc(NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)n(C)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)Nc2cnn(c2C)[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1c(cnn1-c1ccccc1)NC(=O)C(=O)N[*:1]
C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 O=[N+]([O-])[*:1] C[NH+](C)[C@@H](CNc1ccc(c2cnccc12)[*:1])c1ccccc1
C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNc1ccc(c2cnccc12)[N+](=O)[O-])[*:1]
CCOc1ccc(CNC(=O)c2cc3c(Cl)ccc4c3n2C[C@H](CC)O4)cc1 CCO[*:1] CC[C@H]1Cn2c(cc3c(Cl)ccc(O1)c32)C(=O)NCc1ccc(cc1)[*:1]
CCOc1ccc(CNC(=O)c2cc3c(Cl)ccc4c3n2C[C@H](CC)O4)cc1 CCOc1ccc(cc1)[*:1] CC[C@H]1Cn2c(cc3c(Cl)ccc(O1)c32)C(=O)NC[*:1]
Cc1cccc(N2CN([C@@H](C)c3ccccc3)CNC2=S)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1CN(CNC1=S)[C@@H](C)[*:1]
O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1cccs1 c1csc(c1)[*:1] O=C1OC(=NC1=C[*:1])c1cc(Cl)ccc1Cl
CC(C)C(=O)N1CCc2c(c(C(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)nn2C)C1 O=C(NC1CCCCCC1)[*:1] CC(C)C(=O)N1CCc2c(C1)c(nn2C)C(=O)N1CCC(CC1)[*:1]
CC(C)C(=O)N1CCc2c(c(C(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)nn2C)C1 CC(C)[*:1] Cn1nc(C(=O)N2CCC(CC2)C(=O)NC2CCCCCC2)c2CN(CCc21)C(=O)[*:1]
CC(C)C(=O)N1CCc2c(c(C(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)nn2C)C1 C1CCCC(CC1)[*:1] CC(C)C(=O)N1CCc2c(C1)c(nn2C)C(=O)N1CCC(CC1)C(=O)N[*:1]
O=C(c1ccn2nnnc2c1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O c1nc(cs1)C[*:1] O=C(c1ccn2nnnc2c1)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
O=C(c1ccn2nnnc2c1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O c1nc(cs1)[*:1] O=C(c1ccn2nnnc2c1)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
O=C(c1ccn2nnnc2c1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O c1cn2nnnc2cc1[*:1] O=C1[C@H]2CC[C@H](CN(C2)C(=O)[*:1])N1Cc1cscn1
COc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(OC)c(OC)c4)CC(=O)[C@H]32)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)[C@@H]2C(C1)=Nc1ccccc1N[C@@H]2[*:1]
COc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(OC)c(OC)c4)CC(=O)[C@H]32)cc1 COc1ccc(cc1OC)[*:1] COc1ccc(cc1)[C@H]1Nc2ccccc2N=C2C[C@H](CC(=O)[C@H]21)[*:1]
C[NH+](C)CCCNC(=O)/C(=N/O)c1csc(N)n1 Nc1nc(cs1)[*:1] C[NH+](C)CCCNC(=O)/C(=N/O)[*:1]
COC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 COC(=O)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)NC(=S)NC(=O)c1cccc(c1C)[*:1]
CC(C)(CNC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)C(N)=O Clc1cccc(c1)[*:1] CC(C)(CNC(=O)N[C@@H](c1ccccc1)[*:1])C(N)=O
CC(C)(CNC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)C(N)=O CC(C)(C[*:1])C(N)=O O=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)N[*:1]
CC(C)(CNC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)C(N)=O c1ccc(cc1)[*:1] CC(C)(CNC(=O)N[C@@H](c1cccc(Cl)c1)[*:1])C(N)=O
CC(C)(CNC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)C(N)=O NC(=O)[*:1] CC(C)(CNC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)[*:1]
CC(C)(CNC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)C(N)=O CC(C)(C(N)=O)[*:1] O=C(NC[*:1])N[C@@H](c1ccccc1)c1cccc(Cl)c1
Cn1nnnc1-c1cccc(NC(=O)c2ccccc2Br)c1 Cn1nnnc1[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1Br
Cn1nnnc1-c1cccc(NC(=O)c2ccccc2Br)c1 Brc1ccccc1[*:1] Cn1nnnc1-c1cccc(c1)NC(=O)[*:1]
O=S(=O)(NCC(O)(c1cccs1)c1cccs1)c1ccc(C(F)(F)F)cc1 c1csc(c1)[*:1] O=S(=O)(NCC(O)(c1cccs1)[*:1])c1ccc(cc1)C(F)(F)F
O=S(=O)(NCC(O)(c1cccs1)c1cccs1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=S(=O)(NCC(O)(c1cccs1)c1cccs1)c1ccc(cc1)[*:1]
CCCCCOc1ccc([C@@H]2C[C@@H]2C(C)=O)cc1 CCCC[*:1] CC(=O)[C@H]1C[C@H]1c1ccc(cc1)OC[*:1]
CCCCCOc1ccc([C@@H]2C[C@@H]2C(C)=O)cc1 CCCCC[*:1] CC(=O)[C@H]1C[C@H]1c1ccc(cc1)O[*:1]
CCCCCOc1ccc([C@@H]2C[C@@H]2C(C)=O)cc1 CCC[*:1] CC(=O)[C@H]1C[C@H]1c1ccc(cc1)OCC[*:1]
CCCCCOc1ccc([C@@H]2C[C@@H]2C(C)=O)cc1 CCCCCO[*:1] CC(=O)[C@H]1C[C@H]1c1ccc(cc1)[*:1]
CCCCCOc1ccc([C@@H]2C[C@@H]2C(C)=O)cc1 CC(=O)[C@H]1C[C@H]1[*:1] CCCCCOc1ccc(cc1)[*:1]
CCCCCOc1ccc([C@@H]2C[C@@H]2C(C)=O)cc1 CC(=O)[*:1] CCCCCOc1ccc(cc1)[C@@H]1C[C@H]1[*:1]
CNc1ccc(S(=O)(=O)N(C)Cc2cc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])S(=O)(=O)N(C)Cc1cc(no1)-c1ccc(Cl)cc1
CNc1ccc(S(=O)(=O)N(C)Cc2cc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] CNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N(C)Cc1cc(no1)[*:1]
C[C@@H](NC(=O)c1ccc(F)nc1)c1cccc([N-]S(C)(=O)=O)c1 Fc1ccc(cn1)[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)[N-]S(C)(=O)=O
Cc1ccsc1CN(C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 Cc1ccsc1[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)CC[NH+]1CCCC1
Cc1ccsc1CN(C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 Cc1ccsc1C[*:1] CN(C(=O)Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3F)n2)cc1 Fc1cc(Br)ccc1[*:1] Cc1ccc(cc1)-c1csc(n1)/C(C#N)=C/N[*:1]
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3F)n2)cc1 Cc1ccc(cc1)[*:1] N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(cs1)[*:1]
COC(=O)c1cc(Br)ccc1N1CCOCC1 COC(=O)[*:1] Brc1ccc(c(c1)[*:1])N1CCOCC1
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc([C@@H]4CCCO4)o3)cc2)C1 C1CO[C@@H](C1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(Cl)cc1)S(C)(=O)=O Clc1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(S(C)(=O)=O)[*:1]
CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(Cl)cc1)S(C)(=O)=O NC(=O)c1ccccc1[*:1] CC[C@@H](C(=O)N[*:1])N(c1ccc(Cl)cc1)S(C)(=O)=O
CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(Cl)cc1)S(C)(=O)=O NC(=O)[*:1] CC[C@@H](C(=O)Nc1ccccc1[*:1])N(c1ccc(Cl)cc1)S(C)(=O)=O
Cc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 Fc1ccc(cc1)[*:1] Cc1ccccc1C(=O)NC(=S)Nc1ccc2oc(nc2c1)[*:1]
Cc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 Cc1ccccc1[*:1] O=C(NC(=S)Nc1ccc2oc(nc2c1)-c1ccc(F)cc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(C)C)c1 CC(C)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)[*:1])N1CC[NH+](C)CC1
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(C)C)c1 CC(C)C(=O)N[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)[*:1])N1CC[NH+](C)CC1
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(C)C)c1 CCN(CC)S(=O)(=O)[*:1] CC(C)C(=O)Nc1cc(ccc1N1CC[NH+](C)CC1)[*:1]
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NCC(=O)[O-] O=C([O-])[*:1] CC1(C)[C@H](C(=O)NCC(=O)[O-])[C@@H]1[*:1]
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NCC(=O)[O-] O=C([O-])C[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N[*:1]
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NCC(=O)[O-] O=C([O-])[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NC[*:1]
CCOC(=O)[C@@H](C)N(CC)Cc1ccccn1 CCOC(=O)[*:1] CCN(Cc1ccccn1)[C@H](C)[*:1]
CCOc1ccc([C@@H](NC(=O)[C@@H]2CCO[C@@H]2C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H](NC(=O)[C@@H]1CCO[C@@H]1C)[*:1]
CCOc1ccc([C@@H](NC(=O)[C@@H]2CCO[C@@H]2C)c2ccccc2)cc1 CCO[*:1] C[C@H]1OCC[C@H]1C(=O)N[C@@H](c1ccccc1)c1ccc(cc1)[*:1]
CCCNC(=O)C1CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1[*:1] CCCNC(=O)C1CC[NH+](CC1)CC(=O)N[*:1]
CCCNC(=O)C1CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 CCC[*:1] O=C(C[NH+]1CCC(CC1)C(=O)N[*:1])Nc1c(Cl)cccc1Cl
CCCNC(=O)C1CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 CCCNC(=O)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1c(Cl)cccc1Cl
Cc1ccc2nsnc2c1NC(=O)CN1CCOCC1 C1CN(CCO1)[*:1] Cc1ccc2nsnc2c1NC(=O)C[*:1]
Cc1nc2ncnn2c(N2CCC[NH+](CC(=O)N(C)C)CC2)c1C CN(C)C(=O)[*:1] Cc1nc2ncnn2c(c1C)N1CCC[NH+](CC1)C[*:1]
Cc1nc2ncnn2c(N2CCC[NH+](CC(=O)N(C)C)CC2)c1C CN(C)C(=O)C[*:1] Cc1nc2ncnn2c(c1C)N1CCC[NH+](CC1)[*:1]
Cc1cc(Br)ccc1COC(=O)CCc1nc(C2CC2)no1 C1CC1[*:1] Cc1cc(Br)ccc1COC(=O)CCc1nc(no1)[*:1]
CS[C@H]1CCC[C@@H](NC(=O)C2(c3ccccc3)CCOCC2)C1 c1ccc(cc1)[*:1] CS[C@H]1CCC[C@H](C1)NC(=O)C1(CCOCC1)[*:1]
Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 O=C1NC(=O)C(=C[*:1])S1 Cc1ccccc1NC(=O)COc1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 Cc1ccccc1[*:1] O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)N[*:1]
CC(C)(C)[C@@H](O)CN1CCN([C@H]2CCOC2=O)CC1 O=C1OCC[C@@H]1[*:1] CC(C)(C)[C@@H](O)CN1CCN(CC1)[*:1]
CC(C)(C)[C@@H](O)CN1CCN([C@H]2CCOC2=O)CC1 CC(C)(C)[*:1] O=C1OCC[C@@H]1N1CCN(CC1)C[C@H](O)[*:1]
CC(C)(C)[C@@H](O)CN1CCN([C@H]2CCOC2=O)CC1 CC(C)(C)[C@@H](O)[*:1] O=C1OCC[C@@H]1N1CCN(CC1)C[*:1]
COCCNc1ncccc1-c1nc(-c2ccc(OC)cc2)no1 COCC[*:1] COc1ccc(cc1)-c1noc(n1)-c1cccnc1N[*:1]
COCCNc1ncccc1-c1nc(-c2ccc(OC)cc2)no1 COc1ccc(cc1)[*:1] COCCNc1ncccc1-c1nc(no1)[*:1]
COCCNc1ncccc1-c1nc(-c2ccc(OC)cc2)no1 COC[*:1] COc1ccc(cc1)-c1noc(n1)-c1cccnc1NC[*:1]
COCCNc1ncccc1-c1nc(-c2ccc(OC)cc2)no1 COCCN[*:1] COc1ccc(cc1)-c1noc(n1)-c1cccnc1[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)[C@H]2COc3cc(OC)ccc3C2)c1 CCNC(=O)[*:1] COc1ccc2C[C@H](COc2c1)C(=O)Nc1cc(ccc1C)[*:1]
C[C@@H]1C[NH+]=C(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)S1 Clc1ccc(cc1)[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)CC(=O)N[*:1]
O=C(NCc1ccccc1OC(F)(F)F)c1ncc(Cl)c(Cl)c1Cl FC(F)(F)[*:1] O=C(NCc1ccccc1O[*:1])c1ncc(Cl)c(Cl)c1Cl
O=C(NCc1ccccc1OC(F)(F)F)c1ncc(Cl)c(Cl)c1Cl FC(F)(F)O[*:1] O=C(NCc1ccccc1[*:1])c1ncc(Cl)c(Cl)c1Cl
COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cc(C)ccc2OC)c1C COC(=O)[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)c1[nH]c(C)c(c1C)[*:1]
O=C([O-])COc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 O=C([O-])CO[*:1] O=c1c(coc2cc(ccc12)[*:1])-c1ccc2OCCOc2c1
O=C([O-])COc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 O=C([O-])[*:1] O=c1c(coc2cc(ccc12)OC[*:1])-c1ccc2OCCOc2c1
O=C([O-])COc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 O=C([O-])C[*:1] O=c1c(coc2cc(ccc12)O[*:1])-c1ccc2OCCOc2c1
O=C(CSc1nn2cnnc2s1)N1c2ccccc2Sc2ccccc21 c1nnc2sc(nn12)[*:1] O=C(CS[*:1])N1c2ccccc2Sc2ccccc21
CC[C@@H](C)[C@@](C)(O)CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CC[C@@H](C)[*:1] C[C@@](O)(CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CC[C@H](C)S(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] CC[C@H](C)S(=O)(=O)N[C@H](c1cccc(c1)[*:1])C1CC1
CC[C@H](C)S(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] CC[C@H](C)S(=O)(=O)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
CC[C@H](C)S(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 CC[C@H](C)[*:1] O=S(=O)(N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
C[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1cccc2OCCCOc12)[*:1]
CC(C)(CNC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)/C=C/c1cn(CCC#N)c2ccccc12)[*:1]
CC(C)(CNC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1ccncc1 N#CCC[*:1] CC(C)(CNC(=O)/C=C/c1cn(c2ccccc12)[*:1])c1ccncc1
CC(C)(CNC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1ccncc1 CC(C)(c1ccncc1)[*:1] N#CCCn1cc(/C=C/C(=O)NC[*:1])c2ccccc21
CC(C)(CNC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1ccncc1 N#CC[*:1] CC(C)(CNC(=O)/C=C/c1cn(C[*:1])c2ccccc12)c1ccncc1
CC1=N[C@@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)N=N1 c1ccc(cc1)[*:1] CC1N=N[C@@H](N=1)n1ccc2nc3ccn(CC[*:1])c(=O)c3cc2c1=O
CC1=N[C@@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)N=N1 c1ccc(cc1)C[*:1] CC1N=N[C@@H](N=1)n1ccc2nc3ccn(C[*:1])c(=O)c3cc2c1=O
CC1=N[C@@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)N=N1 c1ccc(cc1)CC[*:1] CC1N=N[C@@H](N=1)n1ccc2nc3ccn(c(=O)c3cc2c1=O)[*:1]
Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccncc1 c1cc(ccn1)[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+]C[*:1]
COc1cc(CC(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc(OC)c1OC c1ccc2c(cccc2c1)[*:1] COc1cc(cc(OC)c1OC)CC(=O)Nc1nc(cs1)[*:1]
CC[C@@H](C)c1ccccc1O[C@H]1CC[C@@](CO)([NH2+]C)C1 CC[C@@H](C)[*:1] C[NH2+][C@]1(CO)CC[C@@H](C1)Oc1ccccc1[*:1]
COC(=O)C1=C(C)C(C(=O)NCC(=O)N(C)C)=N[C@@H]1C CN(C)C(=O)C[*:1] COC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)N[*:1]
COC(=O)C1=C(C)C(C(=O)NCC(=O)N(C)C)=N[C@@H]1C CN(C)C(=O)[*:1] COC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)NC[*:1]
COC(=O)C1=C(C)C(C(=O)NCC(=O)N(C)C)=N[C@@H]1C COC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)NCC(=O)N(C)C
CN(C)C(=O)[C@]12CC[C@](C)(/C(=N/OC(=O)c3ccc(Cl)cc3)C1)C2(C)C Clc1ccc(cc1)[*:1] CN(C)C(=O)[C@]12CC[C@](C)(/C(C1)=N/OC(=O)[*:1])C2(C)C
CN(C)C(=O)[C@]12CC[C@](C)(/C(=N/OC(=O)c3ccc(Cl)cc3)C1)C2(C)C CN(C)C(=O)[*:1] CC1(C)[C@]2(C)CC[C@@]1(C/C2=N\OC(=O)c1ccc(Cl)cc1)[*:1]
Cc1ccc(-c2nc(CC(=O)NCCS(N)(=O)=O)cs2)o1 NS(=O)(=O)[*:1] Cc1ccc(o1)-c1nc(cs1)CC(=O)NCC[*:1]
Cc1ccc(-c2nc(CC(=O)NCCS(N)(=O)=O)cs2)o1 NS(=O)(=O)CC[*:1] Cc1ccc(o1)-c1nc(cs1)CC(=O)N[*:1]
Cc1ccc(-c2nc(CC(=O)NCCS(N)(=O)=O)cs2)o1 NS(=O)(=O)C[*:1] Cc1ccc(o1)-c1nc(cs1)CC(=O)NC[*:1]
Cc1ccc(-c2nc(CC(=O)NCCS(N)(=O)=O)cs2)o1 Cc1ccc(o1)[*:1] NS(=O)(=O)CCNC(=O)Cc1csc(n1)[*:1]
O=C(Nc1ccc(C(=O)[O-])cn1)N[C@@H]1CCOC1 O=C([O-])[*:1] O=C(Nc1ccc(cn1)[*:1])N[C@@H]1CCOC1
O=C(Nc1ccc(C(=O)[O-])cn1)N[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C(Nc1ccc(cn1)C(=O)[O-])N[*:1]
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 C1CN(CCO1)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c1cc2ccccc2oc1=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 CCN(CC)S(=O)(=O)[*:1] O=C(Nc1cc(ccc1N1CCOCC1)[*:1])c1cc2ccccc2oc1=O
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 O=c1oc2ccccc2cc1[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)[*:1])N1CCOCC1
c1ccc(C[NH+]2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc2cc(ccc2c1)OCCN1CC[NH+](CC1)C[*:1]
c1ccc(C[NH+]2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 c1ccc(cc1)C[*:1] c1ccc2cc(ccc2c1)OCCN1CC[NH+](CC1)[*:1]
COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)N2CCC(Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1nc2c(CCC[C@@H]2C(=O)N2CCC(CC2)C[*:1])s1
COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)N2CCC(Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)Nc1nc2c(CCC[C@@H]2C(=O)N2CCC(CC2)[*:1])s1
COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)N2CCC(Cc3ccccc3)CC2)cc1 COc1ccc(cc1)C(=O)N[*:1] O=C([C@H]1CCCc2sc(nc21)[*:1])N1CCC(CC1)Cc1ccccc1
COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)N2CCC(Cc3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C([C@H]1CCCc2sc(nc21)NC(=O)[*:1])N1CCC(CC1)Cc1ccccc1
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccnc1Cl Clc1ncccc1[*:1] CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)[*:1]
CCN(C(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)[C@H](C)Sc1ccc(cc1)NC(C)=O)[*:1]
CCN(C(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 CC(=O)N[*:1] CCN(C(=O)[C@H](C)Sc1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)[C@@H]1C[NH2+]CC[C@@H]1[C@@H]1CCCOC1 CC(C)[*:1] C1COC[C@@H](C1)[C@H]1CC[NH2+]C[C@H]1[*:1]
CCNc1cc(C)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 Fc1cccc(Cl)c1[*:1] CCNc1cc(C)nc(n1)N1CCN(CC1)C(=O)[*:1]
CCNc1cc(C)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 CCN[*:1] Cc1cc(nc(n1)N1CCN(CC1)C(=O)c1c(F)cccc1Cl)[*:1]
COCCC(=O)NCc1cccc(-c2nc(C)n[nH]2)c1 COCC[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)[*:1]
COCCC(=O)NCc1cccc(-c2nc(C)n[nH]2)c1 COC[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)C[*:1]
COCCC(=O)NCc1cccc(-c2nc(C)n[nH]2)c1 Cc1n[nH]c(n1)[*:1] COCCC(=O)NCc1cccc(c1)[*:1]
NC(=O)[C@@H]1COCCN1Cc1csc(-c2ccc(Cl)cc2)n1 NC(=O)[*:1] Clc1ccc(cc1)-c1nc(cs1)CN1CCOC[C@H]1[*:1]
NC(=O)[C@@H]1COCCN1Cc1csc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] NC(=O)[C@@H]1COCCN1Cc1csc(n1)[*:1]
CC(C)Sc1cnn(Cc2ccc(Cl)cc2)c1N CC(C)S[*:1] Nc1c(cnn1Cc1ccc(Cl)cc1)[*:1]
CC(C)Sc1cnn(Cc2ccc(Cl)cc2)c1N CC(C)[*:1] Nc1c(cnn1Cc1ccc(Cl)cc1)S[*:1]
COC(=O)[C@@H]1CCCN1Cc1ccccc1OCC(F)(F)F COC(=O)[*:1] FC(F)(F)COc1ccccc1CN1CCC[C@H]1[*:1]
COC(=O)[C@@H]1CCCN1Cc1ccccc1OCC(F)(F)F FC(F)(F)[*:1] COC(=O)[C@@H]1CCCN1Cc1ccccc1OC[*:1]
COC(=O)[C@@H]1CCCN1Cc1ccccc1OCC(F)(F)F FC(F)(F)CO[*:1] COC(=O)[C@@H]1CCCN1Cc1ccccc1[*:1]
COC(=O)[C@@H]1CCCN1Cc1ccccc1OCC(F)(F)F FC(F)(F)C[*:1] COC(=O)[C@@H]1CCCN1Cc1ccccc1O[*:1]
O=C(Nc1cccc2c1C(=O)NC2)c1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1cccc2CNC(=O)c21)c1ncn(n1)[*:1]
C[C@H](Nc1cc(C(N)=O)ccn1)C(=O)N1CCCC[C@H]1C NC(=O)[*:1] C[C@H](Nc1cc(ccn1)[*:1])C(=O)N1CCCC[C@H]1C
Cc1[nH]ncc1C(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1[nH]ncc1C(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
Cc1[nH]ncc1C(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 Cc1[nH]ncc1[*:1] C[C@@H](c1ccc(cc1)-c1ccccc1)N(C)C(=O)[*:1]
O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] O=C(NN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)c1csc(n1)[*:1]
O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1csc(-c2cccs2)n1 c1csc(c1)-c1nc(cs1)[*:1] O=C1NC(C(=O)N1NC(=O)[*:1])(c1ccccc1)c1ccccc1
O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1csc(-c2cccs2)n1 c1ccc(cc1)[*:1] O=C(NN1C(=O)NC(C1=O)(c1ccccc1)[*:1])c1csc(n1)-c1cccs1
C[C@H](CNC(=O)N1CCO[C@H](c2ccccc2)C1)c1ccsc1 C[C@H](c1ccsc1)[*:1] O=C(NC[*:1])N1CCO[C@@H](C1)c1ccccc1
C[C@H](CNC(=O)N1CCO[C@H](c2ccccc2)C1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)N1CCO[C@@H](C1)c1ccccc1)[*:1]
C[C@H](CNC(=O)N1CCO[C@H](c2ccccc2)C1)c1ccsc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CCO[C@H](C1)[*:1])c1ccsc1
CN[C@@H](c1ccc(C)nc1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] CN[C@@H](c1ccc(C)nc1)c1cccc(c1F)[*:1]
CN[C@@H](c1ccc(C)nc1)c1cccc(C(F)(F)F)c1F Cc1ccc(cn1)[*:1] CN[C@@H](c1cccc(c1F)C(F)(F)F)[*:1]
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC1(C)C CC1(C)CCC[C@@H]1[*:1] C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[*:1]
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC1(C)C N#Cc1ccc(cc1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)N[C@H]1CCCC1(C)C
CC[NH+](CC)C[C@H]1CCN(Cc2nnc(-c3ccccc3)o2)C1 c1ccc(cc1)[*:1] CC[NH+](CC)C[C@H]1CCN(Cc2nnc(o2)[*:1])C1
CC(=O)Oc1ccc2c(c1)CC[C@@H]1C2=CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 CC(=O)O[*:1] CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCc4cc(ccc4C3=CC[C@]12C)[*:1]
CC(=O)Oc1ccc2c(c1)CC[C@@H]1C2=CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 CC(=O)O[*:1] CC(=O)Oc1ccc2C3=CC[C@]4(C)[C@@H](CC[C@@H]4[C@@H]3CCc2c1)[*:1]
COc1ccc([C@@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc([C@@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 O=S1(=O)CC[C@@H](C1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)C[*:1])[NH+](C)C
COc1ccc([C@@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 O=S1(=O)CC[C@@H](C1)C[*:1] COc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+](C)C
O=C1[C@H]2[C@@H](SCC(=O)N2c2ccccc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1CS[C@H]2C(=O)N(C(=O)[C@@H]2N1c1ccccc1)[*:1]
O=C1[C@H]2[C@@H](SCC(=O)N2c2ccccc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2[C@@H](SCC(=O)N2[*:1])C(=O)N1c1ccccc1
O=C(Nc1ccc(Cl)cc1)[C@@H]1CC([O-])=Nc2nc3ccccc3n21 Clc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CC([O-])=Nc2nc3ccccc3n21
C[C@@H](OCC[C@H]1CCCC[NH2+]1)c1cccs1 c1csc(c1)[*:1] C[C@@H](OCC[C@H]1CCCC[NH2+]1)[*:1]
O=C(CN1CCN(c2ccccc2)CC1)NC(=O)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)[*:1])NC(=O)Nc1ccccc1F
O=C(CN1CCN(c2ccccc2)CC1)NC(=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CN1CCN(CC1)c1ccccc1)NC(=O)N[*:1]
COCCOc1ccccc1NCc1ccc(F)cc1C COCCO[*:1] Cc1cc(F)ccc1CNc1ccccc1[*:1]
COCCOc1ccccc1NCc1ccc(F)cc1C COC[*:1] Cc1cc(F)ccc1CNc1ccccc1OC[*:1]
COCCOc1ccccc1NCc1ccc(F)cc1C COCC[*:1] Cc1cc(F)ccc1CNc1ccccc1O[*:1]
O=C(Cc1ncc(C(F)(F)F)cc1Cl)N1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] O=C(Cc1ncc(cc1Cl)C(F)(F)F)N1CCN(CC1)c1[nH+]cc(cc1Cl)[*:1]
O=C(Cc1ncc(C(F)(F)F)cc1Cl)N1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] O=C(Cc1ncc(cc1Cl)[*:1])N1CCN(CC1)c1[nH+]cc(cc1Cl)C(F)(F)F
CN(c1cccc(C#N)c1)S(=O)(=O)Cc1ccccc1F Fc1ccccc1[*:1] CN(c1cccc(C#N)c1)S(=O)(=O)C[*:1]
O=C(NCCC(F)(F)F)c1n[nH]c2ccccc12 FC(F)(F)[*:1] O=C(NCC[*:1])c1n[nH]c2ccccc12
O=C(NCCC(F)(F)F)c1n[nH]c2ccccc12 FC(F)(F)C[*:1] O=C(NC[*:1])c1n[nH]c2ccccc12
O=C(NCCC(F)(F)F)c1n[nH]c2ccccc12 FC(F)(F)CC[*:1] O=C(N[*:1])c1n[nH]c2ccccc12
CCSc1ccc(Cl)cc1C(=O)NCc1ccc(C(N)=O)o1 CCS[*:1] NC(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2[*:1])o1
CCSc1ccc(Cl)cc1C(=O)NCc1ccc(C(N)=O)o1 NC(=O)[*:1] CCSc1ccc(Cl)cc1C(=O)NCc1ccc(o1)[*:1]
COc1cccc(Cn2ccc3ccc(NC(=O)NC[C@@H](O)CO)cc32)c1 COc1cccc(c1)[*:1] O=C(NC[C@@H](O)CO)Nc1ccc2ccn(C[*:1])c2c1
COc1cccc(Cn2ccc3ccc(NC(=O)NC[C@@H](O)CO)cc32)c1 COc1cccc(c1)C[*:1] O=C(NC[C@@H](O)CO)Nc1ccc2ccn(c2c1)[*:1]
Cc1ccc(NC(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@@H](C)C(=O)N1CCOCC1
Cc1ccc(NC(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1C(F)(F)F O=C(N1CCOCC1)[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)N[C@@H](C)[*:1]
OC[C@@H]1O[C@H](Sc2nc3ccccc3n2CCOc2ccc3ccccc3c2)[C@H](O)[C@H](O)[C@@H]1O c1ccc2cc(ccc2c1)[*:1] OC[C@@H]1O[C@H](Sc2nc3ccccc3n2CCO[*:1])[C@H](O)[C@H](O)[C@@H]1O
OC[C@@H]1O[C@H](Sc2nc3ccccc3n2CCOc2ccc3ccccc3c2)[C@H](O)[C@H](O)[C@@H]1O c1ccc2cc(ccc2c1)O[*:1] OC[C@@H]1O[C@H](Sc2nc3ccccc3n2CC[*:1])[C@H](O)[C@H](O)[C@@H]1O
C[C@H](NC(=O)CCCc1cc(F)ccc1F)[C@@H]1COc2ccccc21 Fc1ccc(F)c(c1)[*:1] C[C@H](NC(=O)CCC[*:1])[C@@H]1COc2ccccc21
CCCCN1C(=O)CC[C@@H](C(=O)OC)[C@H]1c1ccccc1OC CCCC[*:1] COC(=O)[C@@H]1CCC(=O)N([C@@H]1c1ccccc1OC)[*:1]
CCCCN1C(=O)CC[C@@H](C(=O)OC)[C@H]1c1ccccc1OC CCC[*:1] COC(=O)[C@@H]1CCC(=O)N(C[*:1])[C@@H]1c1ccccc1OC
CCCCN1C(=O)CC[C@@H](C(=O)OC)[C@H]1c1ccccc1OC COC(=O)[*:1] CCCCN1C(=O)CC[C@@H]([C@H]1c1ccccc1OC)[*:1]
CC/[NH+]=C(/NC[C@H]1CCC[C@H]1O)NC(C)(C)C CC(C)(C)[*:1] CC/[NH+]=C(/NC[C@H]1CCC[C@H]1O)N[*:1]
C[C@H](NC(=O)c1n[nH]c2ccccc12)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)c1n[nH]c2ccccc12)[*:1]
CCc1onc(C)c1NC(=O)/C=C/c1cc(OC)c(OC)cc1OC CCc1onc(C)c1[*:1] COc1cc(OC)c(cc1/C=C/C(=O)N[*:1])OC
COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CCc1nc(-c2cccs2)no1 c1csc(c1)[*:1] COc1ccc(cc1NC(=O)CCc1nc(no1)[*:1])-c1nc2ccccc2o1
COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CCc1nc(-c2cccs2)no1 c1csc(c1)-c1noc(n1)[*:1] COc1ccc(cc1NC(=O)CC[*:1])-c1nc2ccccc2o1
COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CCc1nc(-c2cccs2)no1 c1ccc2oc(nc2c1)[*:1] COc1ccc(cc1NC(=O)CCc1nc(no1)-c1cccs1)[*:1]
O=C(Cc1cn2ccsc2n1)N[C@@H](Cc1ccsc1)c1nccs1 c1cc(cs1)C[*:1] O=C(Cc1cn2ccsc2n1)N[C@@H](c1nccs1)[*:1]
O=C(Cc1cn2ccsc2n1)N[C@@H](Cc1ccsc1)c1nccs1 c1cn2cc(nc2s1)[*:1] O=C(C[*:1])N[C@@H](Cc1ccsc1)c1nccs1
O=C(Cc1cn2ccsc2n1)N[C@@H](Cc1ccsc1)c1nccs1 c1csc(n1)[*:1] O=C(Cc1cn2ccsc2n1)N[C@@H](Cc1ccsc1)[*:1]
O=C(Cc1cn2ccsc2n1)N[C@@H](Cc1ccsc1)c1nccs1 c1cc(cs1)[*:1] O=C(Cc1cn2ccsc2n1)N[C@@H](C[*:1])c1nccs1
N#Cc1ccc(NCC(=O)N2CC[NH+](C3CC3)CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)NCC(=O)N1CC[NH+](CC1)[*:1]
O=C(NC1CCCC1)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)[nH]n2)C1 C1CCC(C1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cc([nH]n1)-c1ccccn1
O=C(NC1CCCC1)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)[nH]n2)C1 c1ccc(nc1)[*:1] O=C(NC1CCCC1)[C@H]1CCCN(C1)C(=O)c1cc([nH]n1)[*:1]
O=C(NC1CCCC1)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)[nH]n2)C1 O=C(NC1CCCC1)[*:1] O=C(c1cc([nH]n1)-c1ccccn1)N1CCC[C@@H](C1)[*:1]
C[C@]1(CO)CCC[C@H]1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] C[C@]1(CO)CCC[C@H]1NC(=O)NC[C@@H]1CN(CCO1)[*:1]
C[C@]1(CO)CCC[C@H]1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] C[C@]1(CO)CCC[C@H]1NC(=O)NC[C@@H]1CN(CCO1)C[*:1]
O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc(=O)nc3cccnn23)c1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1cc(=O)nc2cccnn12
O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc(=O)nc3cccnn23)c1 O=C(NCc1ccccc1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(=O)nc2cccnn12
O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc(=O)nc3cccnn23)c1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)c1cc(=O)nc2cccnn12
CCc1c(-c2ccncc2)n[nH]c1NC(=O)CN1CCCc2sccc2C1=O c1cc(ccn1)[*:1] CCc1c(n[nH]c1NC(=O)CN1CCCc2sccc2C1=O)[*:1]
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)F O=[N+]([O-])[*:1] O=C(N/N=C/c1ccccc1[*:1])C(F)(F)C(F)(F)C(F)(F)F
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)F FC(F)(F)[*:1] O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)[*:1]
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)F FC(F)(F)C(F)(F)[*:1] O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(F)(F)[*:1]
CC(C)(C)NC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 CC(C)(C)[*:1] O=C(C[NH+]1CCC(O)(CC1)C(F)(F)F)N[*:1]
CC(C)(C)NC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)(C)NC(=O)C[NH+]1CCC(O)(CC1)[*:1]
O=C(NNc1ccccn1)N[C@H]1CCN(CCCc2ccccc2)C1=O c1ccc(nc1)[*:1] O=C(NN[*:1])N[C@H]1CCN(CCCc2ccccc2)C1=O
O=C(NNc1ccccn1)N[C@H]1CCN(CCCc2ccccc2)C1=O c1ccc(cc1)C[*:1] O=C(NNc1ccccn1)N[C@H]1CCN(CC[*:1])C1=O
O=C(NNc1ccccn1)N[C@H]1CCN(CCCc2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(NNc1ccccn1)N[C@H]1CCN(CCC[*:1])C1=O
O=C(NNc1ccccn1)N[C@H]1CCN(CCCc2ccccc2)C1=O c1ccc(cc1)CC[*:1] O=C(NNc1ccccn1)N[C@H]1CCN(C[*:1])C1=O
Cc1cc(S(=O)(=O)NCC(=O)N(C)CCc2ccccn2)sc1C c1ccc(CC[*:1])nc1 Cc1cc(sc1C)S(=O)(=O)NCC(=O)N(C)[*:1]
Cc1cc(S(=O)(=O)NCC(=O)N(C)CCc2ccccn2)sc1C c1ccc(C[*:1])nc1 Cc1cc(sc1C)S(=O)(=O)NCC(=O)N(C)C[*:1]
Cc1cc(S(=O)(=O)NCC(=O)N(C)CCc2ccccn2)sc1C c1ccc(nc1)[*:1] Cc1cc(sc1C)S(=O)(=O)NCC(=O)N(C)CC[*:1]
Cc1cc(S(=O)(=O)NCC(=O)N(C)CCc2ccccn2)sc1C Cc1cc(sc1C)[*:1] CN(CCc1ccccn1)C(=O)CNS(=O)(=O)[*:1]
CCCCN1C(=O)C[C@H](C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)[C@@H]1c1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)[C@H]1[C@H](CC(=O)N1C[*:1])C(=O)N1CCN(CC1)C(=O)Nc1ccccc1
CCCCN1C(=O)C[C@H](C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)[C@@H]1c1ccc(OC)cc1 CCCC[*:1] COc1ccc(cc1)[C@H]1[C@H](CC(=O)N1[*:1])C(=O)N1CCN(CC1)C(=O)Nc1ccccc1
CCCCN1C(=O)C[C@H](C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCCCN1C(=O)C[C@H](C(=O)N2CCN(CC2)C(=O)Nc2ccccc2)[C@H]1[*:1]
CCCCN1C(=O)C[C@H](C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)[C@@H]1c1ccc(OC)cc1 c1ccc(cc1)[*:1] CCCCN1C(=O)C[C@H](C(=O)N2CCN(CC2)C(=O)N[*:1])[C@@H]1c1ccc(cc1)OC
Cc1ccc([C@@H](C)NS(=O)(=O)c2c[nH]c(C(C)C)n2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1nc(c[nH]1)S(=O)(=O)N[C@H](C)[*:1]
Cc1ccc([C@@H](C)NS(=O)(=O)c2c[nH]c(C(C)C)n2)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@@H](C)NS(=O)(=O)c1c[nH]c(n1)[*:1]
O=C(N/N=C(/N=C/c1ccco1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C(/N=C/c1ccco1)c1ccccc1)[*:1]
O=C(N/N=C(/N=C/c1ccco1)c1ccccc1)c1ccccc1 c1coc(c1)[*:1] O=C(N/N=C(/N=C[*:1])c1ccccc1)c1ccccc1
O=C(N/N=C(/N=C/c1ccco1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C(/N=C/c1ccco1)[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1 CN(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1 CN(C)c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cnc(C)s2)C12CCC2 Cc1ncc(s1)[*:1] CCO[C@@H]1C[C@H](N(C)S(=O)(=O)[*:1])C12CCC2
CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cnc(C)s2)C12CCC2 CCO[*:1] Cc1ncc(s1)S(=O)(=O)N(C)[C@H]1C[C@H](C12CCC2)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C c1csc(c1)[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC[C@H]([NH+](C)C)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C)[*:1]
CNc1ccc([N+](=O)[O-])c(-c2ccccc2C(F)(F)F)n1 O=[N+]([O-])[*:1] CNc1ccc(c(n1)-c1ccccc1C(F)(F)F)[*:1]
CNc1ccc([N+](=O)[O-])c(-c2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] CNc1ccc(c(n1)-c1ccccc1[*:1])[N+](=O)[O-]
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(F)cc2F)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)Nc1ccc(F)cc1F)[*:1]
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@H](CC(C)C)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(F)cc2F)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@@H](NS(=O)(=O)[*:1])C(=O)Nc1ccc(F)cc1F
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(F)cc2F)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@H](C[*:1])C(=O)Nc1ccc(F)cc1F
Cc1cc(=O)c(C(=O)N(Cc2cccs2)C2CC2)nn1-c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)N(Cc1cccs1)C1CC1
Cc1cc(=O)c(C(=O)N(Cc2cccs2)C2CC2)nn1-c1cccc(C(F)(F)F)c1 c1csc(c1)[*:1] Cc1cc(=O)c(nn1-c1cccc(c1)C(F)(F)F)C(=O)N(C[*:1])C1CC1
Cc1cc(=O)c(C(=O)N(Cc2cccs2)C2CC2)nn1-c1cccc(C(F)(F)F)c1 C1CC1[*:1] Cc1cc(=O)c(nn1-c1cccc(c1)C(F)(F)F)C(=O)N(Cc1cccs1)[*:1]
Cc1cc(=O)c(C(=O)N(Cc2cccs2)C2CC2)nn1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(=O)c(nn1-c1cccc(c1)[*:1])C(=O)N(Cc1cccs1)C1CC1
Cc1cc(=O)c(C(=O)N(Cc2cccs2)C2CC2)nn1-c1cccc(C(F)(F)F)c1 c1csc(c1)C[*:1] Cc1cc(=O)c(nn1-c1cccc(c1)C(F)(F)F)C(=O)N(C1CC1)[*:1]
CC(C)CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 CC(C)C[*:1] C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(=O)NC[*:1]
CC(C)CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 CC(C)[*:1] C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(=O)NCC[*:1]
CC(C)CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 CC(C)CC[*:1] C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(=O)N[*:1]
CC[NH2+]C/C(=C\c1ccc(C2CC2)cc1)CC C1CC1[*:1] CC[NH2+]C/C(=C\c1ccc(cc1)[*:1])CC
COC(=O)Nc1ccc(NC(=O)N[C@H](C)c2cc(C)oc2C)cc1 Cc1cc(c(C)o1)[*:1] COC(=O)Nc1ccc(cc1)NC(=O)N[C@H](C)[*:1]
COC(=O)Nc1ccc(NC(=O)N[C@H](C)c2cc(C)oc2C)cc1 COC(=O)N[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
C[C@@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl c1ncn(n1)[*:1] C[C@@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc(cc1Cl)[*:1]
C[C@@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl CS(=O)(=O)C[*:1] C[C@@H]([NH2+][C@H](C)c1ccc(cc1Cl)-n1cncn1)[*:1]
C[C@@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl CS(=O)(=O)[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)c1ccc(cc1Cl)-n1cncn1
CCOC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C(C)C CC(C)[*:1] CCOC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)[*:1]
CCOC(=O)[C@](C)(NCC(=O)N1CCCc2ccccc21)C(C)C CCOC(=O)[*:1] CC(C)[C@](C)(NCC(=O)N1CCCc2ccccc21)[*:1]
CCc1ncsc1C(=O)N(C[C@H]1CCCCO1)C(C)C C1CC[C@@H](OC1)[*:1] CCc1ncsc1C(=O)N(C[*:1])C(C)C
CCc1ncsc1C(=O)N(C[C@H]1CCCCO1)C(C)C CC(C)[*:1] CCc1ncsc1C(=O)N(C[C@H]1CCCCO1)[*:1]
CCC[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C CCC[*:1] C[C@H]1[C@H](CCN1C(=O)[C@@H](C)[*:1])C(=O)[O-]
CCC[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] CCC[C@H](C)C(=O)N1CC[C@H]([C@@H]1C)[*:1]
CCC[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C CCC[C@H](C)[*:1] C[C@H]1[C@H](CCN1C(=O)[*:1])C(=O)[O-]
CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(-c2n[nH]c(C)n2)c1 Cc1nc(n[nH]1)[*:1] CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(-c2n[nH]c(C)n2)c1 CCO[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C[NH2+][C@@H](C)c1ccccc1[*:1]
COC(=O)c1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 CC(=O)N[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
COC(=O)c1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 COC(=O)[*:1] CC(=O)Nc1ccc2nc(NC(=O)c3ccc(cc3)[*:1])sc2c1
CC(C)(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O CC(C)(C)[*:1] O=C(Nc1c[nH]c(=O)[nH]c1=O)[*:1]
COCC(=O)Nc1cccc(CNC(=O)N[C@H](C)c2ccccc2)c1 C[C@H](c1ccccc1)[*:1] COCC(=O)Nc1cccc(c1)CNC(=O)N[*:1]
COCC(=O)Nc1cccc(CNC(=O)N[C@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] COCC(=O)Nc1cccc(c1)CNC(=O)N[C@H](C)[*:1]
COCC(=O)Nc1cccc(CNC(=O)N[C@H](C)c2ccccc2)c1 COCC(=O)N[*:1] C[C@@H](NC(=O)NCc1cccc(c1)[*:1])c1ccccc1
COCC(=O)Nc1cccc(CNC(=O)N[C@H](C)c2ccccc2)c1 COC[*:1] C[C@@H](NC(=O)NCc1cccc(c1)NC(=O)[*:1])c1ccccc1
CC(C)CN(CC(F)(F)F)C(=O)c1cc(C#N)cs1 FC(F)(F)[*:1] CC(C)CN(C[*:1])C(=O)c1cc(C#N)cs1
CC(C)CN(CC(F)(F)F)C(=O)c1cc(C#N)cs1 FC(F)(F)C[*:1] CC(C)CN(C(=O)c1cc(C#N)cs1)[*:1]
CC(C)CN(CC(F)(F)F)C(=O)c1cc(C#N)cs1 CC(C)C[*:1] N#Cc1csc(c1)C(=O)N(CC(F)(F)F)[*:1]
CC(C)CN(CC(F)(F)F)C(=O)c1cc(C#N)cs1 CC(C)[*:1] N#Cc1csc(c1)C(=O)N(CC(F)(F)F)C[*:1]
CCC[C@H]1C(=O)NC(=O)C[C@@]12C[C@H](C)CC[C@@H]2C(C)C CCC[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@@]12CC(=O)NC(=O)[C@@H]2[*:1]
CCC[C@H]1C(=O)NC(=O)C[C@@]12C[C@H](C)CC[C@@H]2C(C)C CC(C)[*:1] CCC[C@H]1C(=O)NC(=O)C[C@@]12C[C@H](C)CC[C@H]2[*:1]
CCOC(=O)c1ccc(C)cc1OC(=S)N(C)C CCOC(=O)[*:1] Cc1ccc(c(c1)OC(=S)N(C)C)[*:1]
CCOC(=O)c1ccc(C)cc1OC(=S)N(C)C CN(C)C(=S)O[*:1] CCOC(=O)c1ccc(C)cc1[*:1]
O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1C[C@H]1[*:1]
CN(CC1CCCCC1)C(=O)CSc1nnnn1C1CC1 C1CC1[*:1] CN(CC1CCCCC1)C(=O)CSc1nnnn1[*:1]
CN(CC1CCCCC1)C(=O)CSc1nnnn1C1CC1 C1CCC(CC1)C[*:1] CN(C(=O)CSc1nnnn1C1CC1)[*:1]
CN(CC1CCCCC1)C(=O)CSc1nnnn1C1CC1 C1CCC(CC1)[*:1] CN(C[*:1])C(=O)CSc1nnnn1C1CC1
COc1ccc(C)cc1Nc1ncnc(NCc2cccnc2)c1N c1cncc(c1)C[*:1] COc1ccc(C)cc1Nc1ncnc(N[*:1])c1N
COc1ccc(C)cc1Nc1ncnc(NCc2cccnc2)c1N c1cncc(c1)[*:1] COc1ccc(C)cc1Nc1ncnc(NC[*:1])c1N
COc1ccc(C)cc1Nc1ncnc(NCc2cccnc2)c1N c1cncc(c1)CN[*:1] COc1ccc(C)cc1Nc1ncnc(c1N)[*:1]
C[C@H]1C[C@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 C[C@H]1C[C@@H]1[*:1] O=C(C[C@@H]1CSCC[NH2+]1)N[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)c(C)c1 c1csc(c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=S(=O)(c1cccs1)N1CCCc2cc(ccc21)NS(=O)(=O)[*:1]
CCOc1cccc(/C(N)=N/C(=O)Cc2ccc(OCC#N)cc2)c1 CCO[*:1] N#CCOc1ccc(cc1)CC(=O)/N=C(\N)c1cccc(c1)[*:1]
CCOc1cccc(/C(N)=N/C(=O)Cc2ccc(OCC#N)cc2)c1 N#CC[*:1] CCOc1cccc(c1)/C(N)=N/C(=O)Cc1ccc(cc1)O[*:1]
CCOc1cccc(/C(N)=N/C(=O)Cc2ccc(OCC#N)cc2)c1 N#CCO[*:1] CCOc1cccc(c1)/C(N)=N/C(=O)Cc1ccc(cc1)[*:1]
CN(Cc1cnc2ccc(C#N)cn12)[C@@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cnc2ccc(C#N)cn12)[C@@H](CCO)[*:1]
CN(Cc1cnc2ccc(C#N)cn12)[C@@H](CCO)c1ccccc1 OCC[*:1] CN(Cc1cnc2ccc(C#N)cn12)[C@@H](c1ccccc1)[*:1]
C[C@@H]1CN(c2ccc(CNC(=O)Nc3ncnn3C)c[nH+]2)C[C@@H](C)O1 Cn1ncnc1[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 Fc1ccc(cc1F)[*:1] CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(cs1)[*:1]
CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 CCC[*:1] O=C(Nc1nc(cs1)-c1ccc(F)c(F)c1)[C@@H]1CCCN1S(=O)(=O)[*:1]
CC(=O)N1CCOc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc21 c1ccc(cc1)[*:1] CC(=O)N1CCOc2ccc(cc21)S(=O)(=O)N(C)C[*:1]
CC(=O)N1CCOc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc21 c1ccc(cc1)C[*:1] CC(=O)N1CCOc2ccc(cc21)S(=O)(=O)N(C)[*:1]
CCC(CC)c1cc(CNC(=O)N2CCN(C)C[C@H]2c2ccccc2)on1 CCC(CC)[*:1] CN1CCN(C(=O)NCc2cc(no2)[*:1])[C@@H](C1)c1ccccc1
CCC(CC)c1cc(CNC(=O)N2CCN(C)C[C@H]2c2ccccc2)on1 c1ccc(cc1)[*:1] CCC(CC)c1cc(CNC(=O)N2CCN(C)C[C@@H]2[*:1])on1
O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1cccc(c1)[*:1]
O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1[*:1])OCc1cccc(c1)[N+](=O)[O-]
COc1ccc(F)c(-n2nnnc2-c2ccccc2N)c1 Nc1ccccc1[*:1] COc1ccc(F)c(c1)-n1nnnc1[*:1]
CCCNC(=O)c1cccc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1 CCC[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1 CCCNC(=O)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)[*:1]
COc1ccc(C(C)=O)cc1CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C CC(=O)[*:1] COc1ccc(cc1CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[*:1]
O=C(CSc1cccc[n+]1[O-])Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] O=C(CSc1cccc[n+]1[O-])Nc1ccc(cc1)[*:1]
O=C(CSc1cccc[n+]1[O-])Nc1ccc(OCc2ccccc2)cc1 [O-][n+]1ccccc1[*:1] O=C(CS[*:1])Nc1ccc(cc1)OCc1ccccc1
O=C(CSc1cccc[n+]1[O-])Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CSc1cccc[n+]1[O-])Nc1ccc(cc1)OC[*:1]
O=C(CSc1cccc[n+]1[O-])Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(CSc1cccc[n+]1[O-])Nc1ccc(cc1)O[*:1]
c1ccc(-c2cnc(C[NH2+]C[C@@H]3CCCS3)s2)cc1 c1ccc(cc1)[*:1] c1nc(C[NH2+]C[C@@H]2CCCS2)sc1[*:1]
Cc1ccnc(NNC(=O)c2ccc(CC#N)cc2)c1 N#CC[*:1] Cc1ccnc(c1)NNC(=O)c1ccc(cc1)[*:1]
C/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1/N=C/c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C/N=c1\scc(-c2ccc3OCC(=O)Nc3c2)n1N=C[*:1]
C[NH2+][C@H](Cc1ccc([N+](=O)[O-])cc1)c1cc(C)c(Br)s1 O=[N+]([O-])[*:1] C[NH2+][C@H](Cc1ccc(cc1)[*:1])c1cc(C)c(Br)s1
O=C(CN1CCOCC1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 C1CN(CCO1)C[*:1] O=C1[C@@H](CCN1c1ccccc1)N1CCN(CC1)C(=O)[*:1]
O=C(CN1CCOCC1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] O=C(CN1CCOCC1)N1CCN(CC1)[C@@H]1CCN(C1=O)[*:1]
O=C(CN1CCOCC1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 C1CN(CCO1)[*:1] O=C(C[*:1])N1CCN(CC1)[C@@H]1CCN(C1=O)c1ccccc1
CC(C)c1cccc(NC(=O)c2ccc3c([O-])n(C)c(=S)nc3c2)c1 CC(C)[*:1] Cn1c([O-])c2ccc(cc2nc1=S)C(=O)Nc1cccc(c1)[*:1]
O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 Clc1ccc(cc1)O[*:1] O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(CC[*:1])c2ccccc21
O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 Clc1ccc(cc1)[*:1] O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(CCO[*:1])c2ccccc21
O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 Clc1ccc(cc1)OC[*:1] O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(C[*:1])c2ccccc21
O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 Clc1ccc(cc1)OCC[*:1] O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(c2ccccc21)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)CCCNS(=O)(=O)c2cccs2)CC1 Cc1ccc(Cl)cc1[*:1] O=C(CCCNS(=O)(=O)c1cccs1)N1CCN(CC1)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)CCCNS(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)CCCNS(=O)(=O)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)CCCNS(=O)(=O)c2cccs2)CC1 O=S(=O)(N[*:1])c1cccs1 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)CCC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)C1 CC(C)C[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)C1 CC(C)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](C1)OCC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)C1 CC(C)CCO[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](C1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)[C@H](C)NC(=O)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)C1 CC(C)CC[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](C1)O[*:1]
COc1ccc2nccc(NC(=O)c3cncc(Br)c3)c2c1 Brc1cncc(c1)[*:1] COc1ccc2nccc(NC(=O)[*:1])c2c1
Cc1ccc(-c2nnc(SCC(=O)NCCc3ccc(Cl)cc3)n2N)cc1 Clc1ccc(cc1)CC[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N[*:1])n1N
Cc1ccc(-c2nnc(SCC(=O)NCCc3ccc(Cl)cc3)n2N)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCC(=O)NCCc1ccc(Cl)cc1
Cc1ccc(-c2nnc(SCC(=O)NCCc3ccc(Cl)cc3)n2N)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)NC[*:1])n1N
Cc1ccc(-c2nnc(SCC(=O)NCCc3ccc(Cl)cc3)n2N)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)NCC[*:1])n1N
N#CCC[NH2+]C[C@H]1COc2ccccc2O1 N#CC[*:1] c1ccc2O[C@@H](C[NH2+]C[*:1])COc2c1
CC[C@@H](CNC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 NS(=O)(=O)[*:1] CC[C@@H](CNC(=O)Nc1cccc(c1)[*:1])c1ccccc1
CC[C@@H](CNC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)Nc1cccc(c1)S(N)(=O)=O)[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCCCCC2)nc1 C1CCCN(CC1)[*:1] O=C(NCc1ccc2OCOc2c1)c1ccc(nc1)[*:1]
COc1ccc(C(=O)Oc2ccccc2/C=N/NC2=NC(=O)CS2)cc1 COc1ccc(cc1)[*:1] O=C1CSC(=N1)N/N=C/c1ccccc1OC(=O)[*:1]
CCc1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1 CCc1ccc(cc1)[*:1] O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[*:1]
COCC(=O)N/N=C/c1cccc(OC)c1 COC[*:1] COc1cccc(/C=N/NC(=O)[*:1])c1
CS(=O)(=O)[C@@H]1CCC[C@H](C(=O)C2CCCC2)C1 C1CCC(C1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)C(=O)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](C(=O)C2CCCC2)C1 CS(=O)(=O)[*:1] O=C(C1CCCC1)[C@H]1CCC[C@H](C1)[*:1]
C=CCOc1ccccc1-c1cc(C(=O)[O-])nc(N)n1 C=CCO[*:1] Nc1nc(cc(n1)-c1ccccc1[*:1])C(=O)[O-]
C=CCOc1ccccc1-c1cc(C(=O)[O-])nc(N)n1 O=C([O-])[*:1] C=CCOc1ccccc1-c1cc(nc(N)n1)[*:1]
C=CCOc1ccccc1-c1cc(C(=O)[O-])nc(N)n1 C=CC[*:1] Nc1nc(cc(n1)-c1ccccc1O[*:1])C(=O)[O-]
Cc1cnc(NC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)s1 FC(F)(F)[*:1] Cc1cnc(NC(=O)N2CCC(CC2)[C@@H](O)[*:1])s1
Cc1cnc(NC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)s1 O[C@@H](C(F)(F)F)[*:1] Cc1cnc(NC(=O)N2CCC(CC2)[*:1])s1
Cc1cnc(NC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)s1 Cc1cnc(s1)[*:1] O=C(N[*:1])N1CCC(CC1)[C@@H](O)C(F)(F)F
COc1ccc(S(=O)(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1C COc1ccc(cc1C)[*:1] O=S(=O)(NC[C@@H]1CCN(C1)c1ccc(F)c(F)c1)[*:1]
COc1ccc(S(=O)(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1C Fc1ccc(cc1F)[*:1] COc1ccc(cc1C)S(=O)(=O)NC[C@@H]1CCN(C1)[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccco1)OC2=O c1coc(c1)[*:1] CC1(C)[C@]2(C)CC[C@]1(OC2=O)C(=O)NC[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccco1)OC2=O c1coc(c1)C[*:1] CC1(C)[C@]2(C)CC[C@]1(OC2=O)C(=O)N[*:1]
Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccco4)C3)n2)o1 Cc1ccc(o1)[*:1] O=C(c1ccco1)N1CCC[C@@H](C1)c1nc(no1)[*:1]
Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccco4)C3)n2)o1 c1coc(c1)[*:1] Cc1ccc(o1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(NCc1ccc(Br)s1)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(NCc1ccc(Br)s1)N[C@@H](CO)[*:1]
O=C(NCc1ccc(Br)s1)N[C@@H](CO)c1ccco1 Brc1ccc(s1)[*:1] O=C(NC[*:1])N[C@@H](CO)c1ccco1
Cc1occc1COC(=O)CCc1ccsc1 c1cc(cs1)[*:1] Cc1occc1COC(=O)CC[*:1]
Cc1ccc(C)c([C@H](O)CNC2(c3nccs3)CCCC2)c1 c1csc(n1)[*:1] Cc1ccc(C)c(c1)[C@H](O)CNC1(CCCC1)[*:1]
CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1(C)C c1cc(co1)[*:1] CCO[C@H]1C[C@@H]([NH2+]C2CCN(CC2)C(=O)[*:1])C1(C)C
CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1(C)C CCO[*:1] CC1(C)[C@H](C[C@H]1[NH2+]C1CCN(CC1)C(=O)c1ccoc1)[*:1]
CC(C)c1c(C(=O)N(C)C2CCOCC2)cnn1-c1cccc(Cl)c1 CC(C)[*:1] CN(C(=O)c1cnn(-c2cccc(Cl)c2)c1[*:1])C1CCOCC1
CC(C)c1c(C(=O)N(C)C2CCOCC2)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)c1c(cnn1[*:1])C(=O)N(C)C1CCOCC1
CC(C)c1c(C(=O)N(C)C2CCOCC2)cnn1-c1cccc(Cl)c1 C1CC(CCO1)[*:1] CC(C)c1c(cnn1-c1cccc(Cl)c1)C(=O)N(C)[*:1]
Cc1nc(CSCC(=O)N2CCC[C@@H]2c2cccs2)sc1C Cc1nc(sc1C)[*:1] O=C(CSC[*:1])N1CCC[C@@H]1c1cccs1
Cc1nc(CSCC(=O)N2CCC[C@@H]2c2cccs2)sc1C c1csc(c1)[*:1] Cc1nc(CSCC(=O)N2CCC[C@H]2[*:1])sc1C
CC(C)Cn1ccc2cc(NC(=O)C(=O)NC[C@@H](C)C#N)ccc21 CC(C)[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc2c(ccn2C[*:1])c1
CC(C)Cn1ccc2cc(NC(=O)C(=O)NC[C@@H](C)C#N)ccc21 CC(C)C[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc2c(ccn2[*:1])c1
Cc1onc(C(=O)Nc2cnn(C)c2C(N)=O)c1COc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1onc(C(=O)Nc2cnn(C)c2C(N)=O)c1CO[*:1]
Cc1onc(C(=O)Nc2cnn(C)c2C(N)=O)c1COc1cccc(C(F)(F)F)c1 Cn1ncc(c1C(N)=O)[*:1] Cc1onc(C(=O)N[*:1])c1COc1cccc(c1)C(F)(F)F
Cc1onc(C(=O)Nc2cnn(C)c2C(N)=O)c1COc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1onc(C(=O)Nc2cnn(C)c2C(N)=O)c1COc1cccc(c1)[*:1]
Cc1onc(C(=O)Nc2cnn(C)c2C(N)=O)c1COc1cccc(C(F)(F)F)c1 NC(=O)[*:1] Cc1onc(C(=O)Nc2cnn(C)c2[*:1])c1COc1cccc(c1)C(F)(F)F
Cc1nc(C(F)(F)F)nc(C2=CN=NC2)c1C FC(F)(F)[*:1] Cc1nc(nc(C2=CN=NC2)c1C)[*:1]
CC(C)OCC[NH+]1CCN(Cc2ccc(Cl)c3cccnc23)CC1 CC(C)O[*:1] Clc1ccc(CN2CC[NH+](CC2)CC[*:1])c2ncccc12
CC(C)OCC[NH+]1CCN(Cc2ccc(Cl)c3cccnc23)CC1 CC(C)[*:1] Clc1ccc(CN2CC[NH+](CCO[*:1])CC2)c2ncccc12
CC(C)OCC[NH+]1CCN(Cc2ccc(Cl)c3cccnc23)CC1 CC(C)OCC[*:1] Clc1ccc(CN2CC[NH+](CC2)[*:1])c2ncccc12
CC(C)OCC[NH+]1CCN(Cc2ccc(Cl)c3cccnc23)CC1 CC(C)OC[*:1] Clc1ccc(CN2CC[NH+](CC2)C[*:1])c2ncccc12
CCN(CCOC)C(=O)c1cccn1CC(=O)[O-] O=C([O-])[*:1] CCN(CCOC)C(=O)c1cccn1C[*:1]
CCN(CCOC)C(=O)c1cccn1CC(=O)[O-] COC[*:1] CCN(C[*:1])C(=O)c1cccn1CC(=O)[O-]
CCN(CCOC)C(=O)c1cccn1CC(=O)[O-] COCC[*:1] CCN(C(=O)c1cccn1CC(=O)[O-])[*:1]
CCN(CCOC)C(=O)c1cccn1CC(=O)[O-] O=C([O-])C[*:1] CCN(CCOC)C(=O)c1cccn1[*:1]
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] COc1nccnc1[N-]S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 COc1nccnc1[N-]S(=O)(=O)c1ccc(cc1)[*:1]
COc1cccc(N2CCN(C(=O)CCCn3sc4ccccc4c3=O)CC2)c1 COc1cccc(c1)[*:1] O=C(CCCn1sc2ccccc2c1=O)N1CCN(CC1)[*:1]
COc1cc(F)cc(CNC(=O)N(C)C[C@H]2CCN(C(C)=O)C2)c1 CC(=O)N1CC[C@@H](C1)[*:1] COc1cc(F)cc(c1)CNC(=O)N(C)C[*:1]
CC(=O)c1cccc(N2/C(=N/C(=O)c3ccc4c(c3)OCO4)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 CC(=O)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(c1)[*:1])c1ccc2OCOc2c1
CC(=O)c1cccc(N2/C(=N/C(=O)c3ccc4c(c3)OCO4)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 c1cc2OCOc2cc1[*:1] CC(=O)c1cccc(c1)N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
CC(=O)c1cccc(N2/C(=N/C(=O)c3ccc4c(c3)OCO4)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 CC(=O)c1cccc(c1)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1])c1ccc2OCOc2c1
Cc1ccc(-c2nc(C(=O)NNC(=S)NC3CCCCC3)cs2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)-c1nc(cs1)C(=O)NNC(=S)N[*:1]
Cc1ccc(-c2nc(C(=O)NNC(=S)NC3CCCCC3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(NNC(=S)NC1CCCCC1)c1csc(n1)[*:1]
CC[C@@H](C)CN(C)C(=O)CC1(C(=O)[O-])CCCCCC1 O=C([O-])[*:1] CC[C@@H](C)CN(C)C(=O)CC1(CCCCCC1)[*:1]
CC[C@@H](C)CN(C)C(=O)CC1(C(=O)[O-])CCCCCC1 CC[C@@H](C)C[*:1] CN(C(=O)CC1(CCCCCC1)C(=O)[O-])[*:1]
CC[C@@H](C)CN(C)C(=O)CC1(C(=O)[O-])CCCCCC1 CC[C@@H](C)[*:1] CN(C[*:1])C(=O)CC1(CCCCCC1)C(=O)[O-]
CCN(CCC#N)c1ccc2nnc(-c3ccccc3F)n2n1 CCN(CCC#N)[*:1] Fc1ccccc1-c1nnc2ccc(nn12)[*:1]
CCN(CCC#N)c1ccc2nnc(-c3ccccc3F)n2n1 Fc1ccccc1[*:1] CCN(CCC#N)c1ccc2nnc(n2n1)[*:1]
CCN(CCC#N)c1ccc2nnc(-c3ccccc3F)n2n1 N#CC[*:1] CCN(C[*:1])c1ccc2nnc(-c3ccccc3F)n2n1
CCN(CCC#N)c1ccc2nnc(-c3ccccc3F)n2n1 N#CCC[*:1] CCN(c1ccc2nnc(-c3ccccc3F)n2n1)[*:1]
CC(C)NC(=O)[C@H](C)OC(=O)c1cccc(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 CC(C)NC(=O)[C@H](C)OC(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)[C@H](C)OC(=O)c1cccc(NC(=O)c2cccs2)c1 CC(C)NC(=O)[*:1] C[C@H](OC(=O)c1cccc(c1)NC(=O)c1cccs1)[*:1]
CC(C)NC(=O)[C@H](C)OC(=O)c1cccc(NC(=O)c2cccs2)c1 CC(C)NC(=O)[C@H](C)[*:1] O=C(O[*:1])c1cccc(c1)NC(=O)c1cccs1
CC(C)NC(=O)[C@H](C)OC(=O)c1cccc(NC(=O)c2cccs2)c1 CC(C)[*:1] C[C@H](OC(=O)c1cccc(c1)NC(=O)c1cccs1)C(=O)N[*:1]
CC(C)NC(=O)[C@H](C)OC(=O)c1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] CC(C)NC(=O)[C@H](C)OC(=O)c1cccc(c1)NC(=O)[*:1]
CCn1c(SCc2ncn(-c3ccccc3)n2)nc2ccccc2c1=O c1ccc(cc1)[*:1] CCn1c(nc2ccccc2c1=O)SCc1ncn(n1)[*:1]
COc1cccc(CNCc2nnc3n2CCCCC3)c1OC(F)F FC(F)[*:1] COc1cccc(CNCc2nnc3CCCCCn32)c1O[*:1]
COc1cccc(CNCc2nnc3n2CCCCC3)c1OC(F)F FC(F)O[*:1] COc1cccc(CNCc2nnc3CCCCCn32)c1[*:1]
CC(C)[C@@H]([NH3+])CC[C@H]1CCOC2(CCOCC2)C1 CC(C)[*:1] [NH3+][C@@H](CC[C@H]1CCOC2(CCOCC2)C1)[*:1]
CC(C)(C)OC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 CC(C)(C)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)O[*:1]
CCOc1ccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1 CCO[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1 CCOc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
CCOc1ccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
Cc1nc[nH]c1-c1nccn1C[C@H]1CCc2ccccc2O1 Cc1nc[nH]c1[*:1] c1ccc2O[C@H](CCc2c1)Cn1ccnc1[*:1]
NC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)c(Br)c1 NC(=O)[*:1] O=C(Nc1ccc(Cl)c(Br)c1)N[C@H]1CCC[C@@H]1[*:1]
CCc1nn(C)cc1C(=O)N(C)Cc1nc(-c2cccnc2)no1 c1cncc(c1)[*:1] CCc1nn(C)cc1C(=O)N(C)Cc1nc(no1)[*:1]
CCc1nn(C)cc1C(=O)N(C)Cc1nc(-c2cccnc2)no1 CCc1nn(C)cc1[*:1] CN(Cc1nc(no1)-c1cccnc1)C(=O)[*:1]
CN(C)S(=O)(=O)c1cccc(C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)c1 Clc1cccc(c1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)C1=NC(=C[*:1])C(=O)O1
CN(C)S(=O)(=O)c1cccc(C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)c1 CN(C)S(=O)(=O)[*:1] O=C1OC(=N/C1=C\c1cccc(Cl)c1)c1cccc(c1)[*:1]
O=C1O[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)Cc2ccccc21 O=[N+]([O-])[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)NCCc1cccc(c1)[*:1]
C#Cc1cccc(N(C(=O)CCc2cccs2)C(C)C)c1 c1csc(c1)C[*:1] C#Cc1cccc(c1)N(C(=O)C[*:1])C(C)C
C#Cc1cccc(N(C(=O)CCc2cccs2)C(C)C)c1 c1csc(c1)CC[*:1] C#Cc1cccc(c1)N(C(=O)[*:1])C(C)C
C#Cc1cccc(N(C(=O)CCc2cccs2)C(C)C)c1 c1csc(c1)[*:1] C#Cc1cccc(c1)N(C(=O)CC[*:1])C(C)C
C#Cc1cccc(N(C(=O)CCc2cccs2)C(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(C(=O)CCc1cccs1)[*:1]
Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)COC(=O)c1cccc(c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O
Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)c2)cc1[N+](=O)[O-] Cc1ccc(cc1[N+](=O)[O-])[*:1] O=C(OCC(=O)[*:1])c1cccc(c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O
C[C@H]1CCc2c(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)csc2C1 c1csc(c1)[*:1] C[C@H]1CCc2c(csc2C1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC[C@@H]1c2ccccc2CCN1C(=O)CN(C)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1c2ccccc2CCN1C(=O)CN(C)S(=O)(=O)[*:1]
CC(=O)N1Cc2cc(C)ccc2OC2(CCN(C(=O)c3cc[nH]n3)CC2)C1 c1cc(n[nH]1)[*:1] CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CC2)C(=O)[*:1])C1
O=C(N[C@H]1CCN(c2ccccc2)C1)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1)c1ccccc1)c1cnc(C[*:1])s1
O=C(N[C@H]1CCN(c2ccccc2)C1)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CCN(C1)c1ccccc1)c1cnc(s1)[*:1]
O=C(N[C@H]1CCN(c2ccccc2)C1)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1)[*:1])c1cnc(Cc2ccccc2)s1
COc1ccc2c(c1)[C@@H]([NH3+])[C@H](Sc1ccc(Br)cn1)CC2 Brc1ccc(nc1)[*:1] COc1ccc2CC[C@@H](S[*:1])[C@H]([NH3+])c2c1
CCOc1ccccc1-c1cccc(C(=O)N2CC[C@H](CO)C2)c1 CCO[*:1] O=C(c1cccc(c1)-c1ccccc1[*:1])N1CC[C@H](CO)C1
Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 c1csc(c1)[*:1] Cc1oc(nc1CC(=O)N[C@@H](C)c1cc2OCCOc2cc1Br)[*:1]
CCC(C)(C)NC(=O)c1ccc(NCC(=O)NC2CCCCC2)cc1Cl C1CCC(CC1)[*:1] CCC(C)(C)NC(=O)c1ccc(cc1Cl)NCC(=O)N[*:1]
CCC(C)(C)NC(=O)c1ccc(NCC(=O)NC2CCCCC2)cc1Cl CCC(C)(C)[*:1] O=C(CNc1ccc(C(=O)N[*:1])c(Cl)c1)NC1CCCCC1
CCC(C)(C)NC(=O)c1ccc(NCC(=O)NC2CCCCC2)cc1Cl CCC(C)(C)NC(=O)[*:1] O=C(CNc1ccc(c(Cl)c1)[*:1])NC1CCCCC1
CCOC(=O)c1cc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2s1 CCOC(=O)[*:1] O=C(Nc1ccc2sc(cc2c1)[*:1])c1ccccc1[N+](=O)[O-]
CCOC(=O)c1cc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2s1 O=[N+]([O-])[*:1] CCOC(=O)c1cc2cc(ccc2s1)NC(=O)c1ccccc1[*:1]
CCn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1 NC(=O)C[*:1] CCn1c(nnc1-c1ccc(Cl)cc1)S[*:1]
CCn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1 NC(=O)[*:1] CCn1c(nnc1-c1ccc(Cl)cc1)SC[*:1]
CCn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1 NC(=O)CS[*:1] CCn1c(nnc1[*:1])-c1ccc(Cl)cc1
COC(=O)C[C@@H]1CN(C(=O)c2ccc(-c3cscn3)cc2)CCO1 c1nc(cs1)[*:1] COC(=O)C[C@@H]1CN(CCO1)C(=O)c1ccc(cc1)[*:1]
COC(=O)C[C@@H]1CN(C(=O)c2ccc(-c3cscn3)cc2)CCO1 COC(=O)C[*:1] O=C(c1ccc(cc1)-c1cscn1)N1CCO[C@@H](C1)[*:1]
COC(=O)C[C@@H]1CN(C(=O)c2ccc(-c3cscn3)cc2)CCO1 COC(=O)[*:1] O=C(c1ccc(cc1)-c1cscn1)N1CCO[C@@H](C1)C[*:1]
C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 Fc1ccccc1O[*:1] C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 Fc1ccccc1[*:1] C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)NC(=O)CO[*:1]
C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 Fc1ccccc1OC[*:1] C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(OCc2ccccn2)c([C@H]2NC(=O)[C@@H]3CCCCN32)c1 c1ccc(nc1)[*:1] COc1ccc(OC[*:1])c(c1)[C@H]1NC(=O)[C@@H]2CCCCN21
COc1ccc(OCc2ccccn2)c([C@H]2NC(=O)[C@@H]3CCCCN32)c1 c1ccc(CO[*:1])nc1 COc1ccc(c(c1)[C@H]1NC(=O)[C@@H]2CCCCN21)[*:1]
COc1ccc(OCc2ccccn2)c([C@H]2NC(=O)[C@@H]3CCCCN32)c1 c1ccc(C[*:1])nc1 COc1ccc(O[*:1])c(c1)[C@H]1NC(=O)[C@@H]2CCCCN21
O=C(Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1C[NH+]1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Oc1ccc(cc1C[NH+]1CCCCC1)NC1=NS(=O)(=O)c2ccccc21)[*:1]
O=C(Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1C[NH+]1CCCCC1)c1ccccc1 O=C(O[*:1])c1ccccc1 O=S1(=O)N=C(Nc2ccc(c(c2)C[NH+]2CCCCC2)[*:1])c2ccccc21
COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)[*:1])c1
CCC[C@@H]1C[C@H](N2CCCC2=O)c2c(cccc2[N+](=O)[O-])N1 O=C1CCCN1[*:1] CCC[C@@H]1C[C@H](c2c(cccc2[N+](=O)[O-])N1)[*:1]
CCC[C@@H]1C[C@H](N2CCCC2=O)c2c(cccc2[N+](=O)[O-])N1 O=[N+]([O-])[*:1] CCC[C@@H]1C[C@@H](c2c(cccc2[*:1])N1)N1CCCC1=O
CCC[C@@H]1C[C@H](N2CCCC2=O)c2c(cccc2[N+](=O)[O-])N1 CCC[*:1] O=C1CCCN1[C@H]1C[C@H](Nc2cccc(c21)[N+](=O)[O-])[*:1]
COc1cccc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)c1 Cc1csc(n1)[*:1] COc1cccc(c1)C(=O)N1CCC[C@H](C1)[*:1]
CCc1nn(C)c2c1nc(N)n2Cc1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)c2c1nc(N)n2C[*:1]
CC(=O)c1sc(NC(=O)CSc2ccccc2)nc1-c1ccccc1 CC(=O)[*:1] O=C(CSc1ccccc1)Nc1nc(-c2ccccc2)c(s1)[*:1]
CC(=O)c1sc(NC(=O)CSc2ccccc2)nc1-c1ccccc1 c1ccc(cc1)S[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)C[*:1]
CC(=O)c1sc(NC(=O)CSc2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1sc(nc1[*:1])NC(=O)CSc1ccccc1
CC(=O)c1sc(NC(=O)CSc2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)CS[*:1]
CC(=O)c1sc(NC(=O)CSc2ccccc2)nc1-c1ccccc1 c1ccc(cc1)SC[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)[*:1]
CCCCn1nnnc1CSc1ccc(N)cc1OC CCC[*:1] COc1cc(N)ccc1SCc1nnnn1C[*:1]
CCCCn1nnnc1CSc1ccc(N)cc1OC CCCC[*:1] COc1cc(N)ccc1SCc1nnnn1[*:1]
CCCCC(=O)Cc1cc2cc([N+](=O)[O-])ccc2oc1=O O=[N+]([O-])[*:1] CCCCC(=O)Cc1cc2cc(ccc2oc1=O)[*:1]
CCCCC(=O)Cc1cc2cc([N+](=O)[O-])ccc2oc1=O CCCCC(=O)[*:1] O=c1oc2ccc(cc2cc1C[*:1])[N+](=O)[O-]
CCCCC(=O)Cc1cc2cc([N+](=O)[O-])ccc2oc1=O CCCC[*:1] O=C(Cc1cc2cc(ccc2oc1=O)[N+](=O)[O-])[*:1]
CCCCC(=O)Cc1cc2cc([N+](=O)[O-])ccc2oc1=O CCCCC(=O)C[*:1] O=c1oc2ccc(cc2cc1[*:1])[N+](=O)[O-]
CCCCC(=O)Cc1cc2cc([N+](=O)[O-])ccc2oc1=O CCC[*:1] O=C(Cc1cc2cc(ccc2oc1=O)[N+](=O)[O-])C[*:1]
CCC[C@](O)(CCN1CCOCC1)c1ccc(OC)cc1 C1CN(CCO1)C[*:1] CCC[C@](O)(C[*:1])c1ccc(cc1)OC
CCC[C@](O)(CCN1CCOCC1)c1ccc(OC)cc1 C1CN(CCO1)[*:1] CCC[C@](O)(CC[*:1])c1ccc(cc1)OC
CCC[C@](O)(CCN1CCOCC1)c1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)[C@](O)(CCN1CCOCC1)[*:1]
Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)no2)cc1F c1csc(c1)[*:1] Cc1ccc(cc1F)-c1cc(no1)C(=O)N(Cc1ccco1)C[*:1]
Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)no2)cc1F Cc1ccc(cc1F)[*:1] O=C(c1cc(on1)[*:1])N(Cc1ccco1)Cc1cccs1
Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)no2)cc1F c1coc(c1)C[*:1] Cc1ccc(cc1F)-c1cc(no1)C(=O)N(Cc1cccs1)[*:1]
Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)no2)cc1F c1coc(c1)[*:1] Cc1ccc(cc1F)-c1cc(no1)C(=O)N(Cc1cccs1)C[*:1]
Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)no2)cc1F c1csc(c1)C[*:1] Cc1ccc(cc1F)-c1cc(no1)C(=O)N(Cc1ccco1)[*:1]
CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NC[C@@H]2CCCO2)c1=O c1ccc(cc1)[*:1] CCn1nc(c(-c2ccccc2)c(C(=O)NC[C@@H]2CCCO2)c1=O)[*:1]
CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NC[C@@H]2CCCO2)c1=O c1ccc(cc1)[*:1] CCn1nc(-c2ccccc2)c(c(C(=O)NC[C@@H]2CCCO2)c1=O)[*:1]
O=S(=O)(CCO)NCCc1cccs1 OCC[*:1] O=S(=O)(NCCc1cccs1)[*:1]
Cc1cc(-c2ccccc2)c(C#N)c(=O)n1C(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1cc(-c2ccccc2)c(C#N)c(=O)n1C(=O)[*:1]
Cc1cc(-c2ccccc2)c(C#N)c(=O)n1C(=O)c1ccc(C#N)cc1 c1ccc(cc1)[*:1] Cc1cc(c(C#N)c(=O)n1C(=O)c1ccc(C#N)cc1)[*:1]
O=C(NC1CCCCC1)c1nc(N2CCCCCC2)c2oc3ccccc3c2n1 C1CCCN(CC1)[*:1] O=C(NC1CCCCC1)c1nc(c2oc3ccccc3c2n1)[*:1]
O=C(NC1CCCCC1)c1nc(N2CCCCCC2)c2oc3ccccc3c2n1 O=C(NC1CCCCC1)[*:1] c1ccc2c(c1)oc1c(nc(nc12)[*:1])N1CCCCCC1
O=C(NC1CCCCC1)c1nc(N2CCCCCC2)c2oc3ccccc3c2n1 C1CCC(CC1)[*:1] O=C(N[*:1])c1nc(c2oc3ccccc3c2n1)N1CCCCCC1
C/[NH+]=C(\NCc1ccnn1C)NC[C@H](C)c1cccs1 Cn1nccc1[*:1] C/[NH+]=C(/NC[C@H](C)c1cccs1)NC[*:1]
C/[NH+]=C(\NCc1ccnn1C)NC[C@H](C)c1cccs1 c1csc(c1)[*:1] C/[NH+]=C(\NCc1ccnn1C)NC[C@H](C)[*:1]
CC[NH+](CC)[C@H](C)CNC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] CC[NH+](CC)[C@H](C)CNC(=O)C[*:1]
O=C([O-])[C@H](Cc1ccccc1)SCc1nccs1 c1ccc(cc1)[*:1] O=C([O-])[C@H](C[*:1])SCc1nccs1
O=C([O-])[C@H](Cc1ccccc1)SCc1nccs1 O=C([O-])[*:1] c1ccc(cc1)C[C@H](SCc1nccs1)[*:1]
O=C([O-])[C@H](Cc1ccccc1)SCc1nccs1 c1csc(n1)[*:1] O=C([O-])[C@H](Cc1ccccc1)SC[*:1]
O=C([O-])[C@H](Cc1ccccc1)SCc1nccs1 c1csc(C[*:1])n1 O=C([O-])[C@H](Cc1ccccc1)S[*:1]
C=CC[C@H]([NH2+]CCCF)c1ccccc1F FCC[*:1] C=CC[C@H]([NH2+]C[*:1])c1ccccc1F
C=CC[C@H]([NH2+]CCCF)c1ccccc1F C=CC[*:1] FCCC[NH2+][C@H](c1ccccc1F)[*:1]
C=CC[C@H]([NH2+]CCCF)c1ccccc1F FCCC[*:1] C=CC[C@H]([NH2+][*:1])c1ccccc1F
CCOc1ccc(-c2cn(-c3cccc(C(F)(F)F)c3)c(=S)[nH]2)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)-c1cn(-c2cccc(c2)[*:1])c(=S)[nH]1
CCOc1ccc(-c2cn(-c3cccc(C(F)(F)F)c3)c(=S)[nH]2)cc1 CCO[*:1] FC(F)(F)c1cccc(c1)-n1cc([nH]c1=S)-c1ccc(cc1)[*:1]
CCN(C[C@@H](C)C#N)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 C[C@@H](C#N)[*:1] CCN(C[*:1])C(=O)Nc1ccc2O[C@@H](C)C(=O)Nc2c1
CCN(C[C@@H](C)C#N)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 C[C@@H](C#N)C[*:1] CCN(C(=O)Nc1ccc2O[C@@H](C)C(=O)Nc2c1)[*:1]
O=C(Nc1nnc(C2CC2)s1)c1ccccc1S(=O)(=O)N1CCCCC1 C1CC1[*:1] O=C(Nc1nnc(s1)[*:1])c1ccccc1S(=O)(=O)N1CCCCC1
O=C(Nc1nnc(C2CC2)s1)c1ccccc1S(=O)(=O)N1CCCCC1 C1CC1c1nnc(s1)[*:1] O=C(N[*:1])c1ccccc1S(=O)(=O)N1CCCCC1
COC(=O)c1c(NC(=O)[C@H](C)n2c(N)nnc2SCC#N)sc2c1CCCC2 COC(=O)[*:1] C[C@@H](C(=O)Nc1sc2CCCCc2c1[*:1])n1c(N)nnc1SCC#N
COC(=O)c1c(NC(=O)[C@H](C)n2c(N)nnc2SCC#N)sc2c1CCCC2 N#CCS[*:1] COC(=O)c1c(NC(=O)[C@H](C)n2c(N)nnc2[*:1])sc2CCCCc21
COC(=O)c1c(NC(=O)[C@H](C)n2c(N)nnc2SCC#N)sc2c1CCCC2 N#CC[*:1] COC(=O)c1c(NC(=O)[C@H](C)n2c(N)nnc2S[*:1])sc2CCCCc21
N#CCCn1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)c(-c2ccccc2)n1 N#CC[*:1] O=C([O-])c1cc(/C=C/c2cn(C[*:1])nc2-c2ccccc2)nc2ccccc12
N#CCCn1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)c(-c2ccccc2)n1 O=C([O-])[*:1] N#CCCn1cc(/C=C/c2cc(c3ccccc3n2)[*:1])c(n1)-c1ccccc1
N#CCCn1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] N#CCCn1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)c(n1)[*:1]
N#CCCn1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)c(-c2ccccc2)n1 N#CCC[*:1] O=C([O-])c1cc(/C=C/c2cn(nc2-c2ccccc2)[*:1])nc2ccccc12
O=C(CN1CCCCCCC1=O)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(CN1CCCCCCC1=O)N1CCC(O)(CC1)[*:1]
NC(=O)[C@H]1CCN(C(=O)NCc2cc(F)cc(Br)c2)C1 NC(=O)[*:1] O=C(NCc1cc(F)cc(Br)c1)N1CC[C@@H](C1)[*:1]
CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@H]3C[C@H](OC(C)=O)CC[C@@]32C)[C@H]2CC[C@H](C(C)=O)[C@@]12C CC(=O)O[*:1] CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2C[C@@H]([C@]2(C)[C@H](CC[C@H]32)C(C)=O)[*:1])C1
CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@H]3C[C@H](OC(C)=O)CC[C@@]32C)[C@H]2CC[C@H](C(C)=O)[C@@]12C CC(=O)O[*:1] CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@H]3C[C@H](CC[C@@]32C)[*:1])[C@H]2CC[C@H](C(C)=O)[C@@]12C
CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@H]3C[C@H](OC(C)=O)CC[C@@]32C)[C@H]2CC[C@H](C(C)=O)[C@@]12C CC(=O)[*:1] CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@H]3C[C@@H](CC[C@@]32C)OC(C)=O)[C@H]2CC[C@H]([C@@]12C)[*:1]
CC[C@H](NS(=O)(=O)c1ccccc1)c1nccs1 c1csc(n1)[*:1] CC[C@H](NS(=O)(=O)c1ccccc1)[*:1]
CC[C@H](NS(=O)(=O)c1ccccc1)c1nccs1 c1ccc(cc1)[*:1] CC[C@H](NS(=O)(=O)[*:1])c1nccs1
CSc1nccn1-c1ccc(C(=O)NCCc2ncnn2C)cc1 Cn1ncnc1C[*:1] CSc1nccn1-c1ccc(cc1)C(=O)NC[*:1]
CSc1nccn1-c1ccc(C(=O)NCCc2ncnn2C)cc1 Cn1ncnc1[*:1] CSc1nccn1-c1ccc(cc1)C(=O)NCC[*:1]
CSc1nccn1-c1ccc(C(=O)NCCc2ncnn2C)cc1 CSc1nccn1[*:1] Cn1ncnc1CCNC(=O)c1ccc(cc1)[*:1]
CSc1nccn1-c1ccc(C(=O)NCCc2ncnn2C)cc1 Cn1ncnc1CC[*:1] CSc1nccn1-c1ccc(cc1)C(=O)N[*:1]
NC(=O)[C@@H]1CCN(C(=O)c2ccc(-n3cccn3)c(F)c2)c2ccccc21 c1cnn(c1)[*:1] NC(=O)[C@@H]1CCN(C(=O)c2ccc(c(F)c2)[*:1])c2ccccc21
NC(=O)[C@@H]1CCN(C(=O)c2ccc(-n3cccn3)c(F)c2)c2ccccc21 NC(=O)[*:1] O=C(c1ccc(c(F)c1)-n1cccn1)N1CC[C@H](c2ccccc21)[*:1]
Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1F Clc1cccc(c1)[*:1] Cc1ccc(cc1F)NC(=O)Cc1csc(n1)NC(=O)N[*:1]
Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1F Cc1ccc(cc1F)[*:1] O=C(Cc1csc(n1)NC(=O)Nc1cccc(Cl)c1)N[*:1]
C=CCSc1nnc2n1CCCCC2 C=CC[*:1] C1CCc2nnc(S[*:1])n2CC1
C=CCSc1nnc2n1CCCCC2 C=CCS[*:1] C1CCc2nnc(n2CC1)[*:1]
C=CCCO[C@@H](C)C(=O)Nc1ccc(Br)nc1C C=CCCO[*:1] Cc1nc(Br)ccc1NC(=O)[C@H](C)[*:1]
C=CCCO[C@@H](C)C(=O)Nc1ccc(Br)nc1C C=CCC[*:1] Cc1nc(Br)ccc1NC(=O)[C@H](C)O[*:1]
C=CCCO[C@@H](C)C(=O)Nc1ccc(Br)nc1C C=CC[*:1] Cc1nc(Br)ccc1NC(=O)[C@H](C)OC[*:1]
CSCC(=O)NNC(=O)C[C@H]1CCc2ccccc21 CSC[*:1] O=C(C[C@H]1CCc2ccccc21)NNC(=O)[*:1]
NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 NS(=O)(=O)[*:1] O=S(=O)(Nc1cccc(c1)[*:1])c1ccc(F)c(F)c1
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc2c(c1)OCO2 c1ccc2oc(nc2c1)[*:1] O=C(NC(=S)Nc1cccc(c1)[*:1])c1ccc2OCOc2c1
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(NC(=S)Nc1cccc(c1)-c1nc2ccccc2o1)[*:1]
COc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1 COc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)OCC(=O)Nc1nonc1[*:1]
COc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nonc1NC(=O)COc1ccc(cc1)[*:1]
COc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1 CC(C)c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nonc1NC(=O)CO[*:1]
N#Cc1cccc(S(=O)(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)[C@H]2CC=CS2)c1 N#Cc1cccc(c1)[*:1] O=S(=O)(NC[C@H](C1C[NH+]=c2ccccc2=1)[C@H]1CC=CS1)[*:1]
CN[C@@H](CC(=O)OC)c1c[nH+]cn1C1CC1 COC(=O)C[*:1] CN[C@@H](c1c[nH+]cn1C1CC1)[*:1]
CN[C@@H](CC(=O)OC)c1c[nH+]cn1C1CC1 COC(=O)[*:1] CN[C@@H](C[*:1])c1c[nH+]cn1C1CC1
CN[C@@H](CC(=O)OC)c1c[nH+]cn1C1CC1 C1CC1[*:1] CN[C@@H](CC(=O)OC)c1c[nH+]cn1[*:1]
Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c2cnn(Cc3cccs3)c2n1 c1csc(c1)[*:1] Cc1cc(C(=O)Nc2ccc(cc2)C[NH+]2CCCC2)c2cnn(C[*:1])c2n1
Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c2cnn(Cc3cccs3)c2n1 c1csc(c1)C[*:1] Cc1cc(C(=O)Nc2ccc(cc2)C[NH+]2CCCC2)c2cnn(c2n1)[*:1]
COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccncc3)no2)cc1Cl COc1ccc(cc1Cl)[*:1] CN(S(=O)(=O)c1ccsc1-c1nc(no1)-c1ccncc1)[*:1]
COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccncc3)no2)cc1Cl c1cc(ccn1)[*:1] COc1ccc(cc1Cl)N(C)S(=O)(=O)c1ccsc1-c1nc(no1)[*:1]
CCOc1cc(C=O)ccc1N1CCCC1 CCO[*:1] O=Cc1ccc(c(c1)[*:1])N1CCCC1
CCOc1cc(C=O)ccc1N1CCCC1 C1CCN(C1)[*:1] CCOc1cc(C=O)ccc1[*:1]
Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2cccc(F)c2)C3=O)o1 O=C(NC1CCCCC1)[*:1] Cc1cc2c(cc3C(=O)N(Cc4cccc(F)c4)[C@@](C)(Cn32)[*:1])o1
Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2cccc(F)c2)C3=O)o1 C1CCC(CC1)[*:1] Cc1cc2c(cc3C(=O)N(Cc4cccc(F)c4)[C@](C)(Cn32)C(=O)N[*:1])o1
Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2cccc(F)c2)C3=O)o1 Fc1cccc(c1)C[*:1] Cc1cc2c(cc3C(=O)N([C@](C)(Cn32)C(=O)NC2CCCCC2)[*:1])o1
Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2cccc(F)c2)C3=O)o1 Fc1cccc(c1)[*:1] Cc1cc2c(cc3C(=O)N(C[*:1])[C@](C)(Cn32)C(=O)NC2CCCCC2)o1
CCn1c2ccccc2c2nnc(SCC(=O)Nc3cc(C)on3)nc21 Cc1cc(no1)[*:1] CCn1c2ccccc2c2nnc(nc21)SCC(=O)N[*:1]
Cc1nc2ccc(OCC(=O)[O-])cc2c(=O)n1-c1ccc2c(c1)OCO2 O=C([O-])CO[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccc2OCOc2c1)[*:1]
Cc1nc2ccc(OCC(=O)[O-])cc2c(=O)n1-c1ccc2c(c1)OCO2 O=C([O-])C[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccc2OCOc2c1)O[*:1]
Cc1nc2ccc(OCC(=O)[O-])cc2c(=O)n1-c1ccc2c(c1)OCO2 O=C([O-])[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccc2OCOc2c1)OC[*:1]
NC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)CCO1 NC(=O)[*:1] Clc1cc(Cl)cc(c1)CN1CCO[C@@H](C1)[*:1]
Fc1ccc(COc2ccc(Br)cc2CNn2c(-c3ccncc3)n[nH]c2=S)cc1 Fc1ccc(cc1)C[*:1] S=c1[nH]nc(-c2ccncc2)n1NCc1cc(Br)ccc1O[*:1]
Fc1ccc(COc2ccc(Br)cc2CNn2c(-c3ccncc3)n[nH]c2=S)cc1 Fc1ccc(cc1)[*:1] S=c1[nH]nc(-c2ccncc2)n1NCc1cc(Br)ccc1OC[*:1]
Fc1ccc(COc2ccc(Br)cc2CNn2c(-c3ccncc3)n[nH]c2=S)cc1 Fc1ccc(cc1)CO[*:1] S=c1[nH]nc(-c2ccncc2)n1NCc1cc(Br)ccc1[*:1]
Fc1ccc(COc2ccc(Br)cc2CNn2c(-c3ccncc3)n[nH]c2=S)cc1 c1cc(ccn1)[*:1] Fc1ccc(cc1)COc1ccc(Br)cc1CNn1c(n[nH]c1=S)[*:1]
C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ncccn1 C1CCC(C1)[*:1] C[C@@H](Sc1nc(CC[*:1])n[nH]1)C(=O)Nc1ncccn1
C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ncccn1 C1CCC(C1)C[*:1] C[C@@H](Sc1nc(C[*:1])n[nH]1)C(=O)Nc1ncccn1
C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ncccn1 c1cnc(nc1)[*:1] C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)N[*:1]
C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ncccn1 C1CCC(C1)CC[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)Nc1ncccn1
O=C(CSc1ccc2c(c1)OCCO2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl O=S(=O)(N1CCOCC1)[*:1] O=C(CSc1ccc2OCCOc2c1)Nc1cc(ccc1Cl)[*:1]
O=C(CSc1ccc2c(c1)OCCO2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl c1cc2OCCOc2cc1[*:1] O=C(CS[*:1])Nc1cc(ccc1Cl)S(=O)(=O)N1CCOCC1
Nn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc(CCC(=O)[O-])c1=O O=C([O-])CC[*:1] Nn1c(nnc(c1=O)[*:1])SCC(=O)Nc1c(Cl)cccc1Cl
Nn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc(CCC(=O)[O-])c1=O Clc1cccc(Cl)c1[*:1] Nn1c(nnc(CCC(=O)[O-])c1=O)SCC(=O)N[*:1]
Nn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc(CCC(=O)[O-])c1=O O=C([O-])C[*:1] Nn1c(nnc(C[*:1])c1=O)SCC(=O)Nc1c(Cl)cccc1Cl
Nn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc(CCC(=O)[O-])c1=O O=C([O-])[*:1] Nn1c(nnc(CC[*:1])c1=O)SCC(=O)Nc1c(Cl)cccc1Cl
CC(C)C(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC(C)C(=O)Nc1cccc(c1)NC(=O)[C@H](C)O[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 Clc1ccc(cc1)O[*:1] CC(C)C(=O)Nc1cccc(c1)NC(=O)[C@H](C)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 CC(C)[*:1] C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)NC(=O)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 CC(C)C(=O)N[*:1] C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)[*:1]
CSc1ncccc1C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O NC(=O)c1ccsc1[*:1] CSc1ncccc1C(=O)O[C@H](C)C(=O)N[*:1]
CSc1ncccc1C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O CSc1ncccc1[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1sccc1C(N)=O
CSc1ncccc1C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O NC(=O)[*:1] CSc1ncccc1C(=O)O[C@H](C)C(=O)Nc1sccc1[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(c3nc(C)cs3)CC2)c1 Cc1csc(n1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H](C)N1CCN(CC1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(c3nc(C)cs3)CC2)c1 CC(=O)[*:1] Cc1csc(n1)N1CCN(CC1)[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
COc1ccccc1-c1c(C)nn2c(N3CCN(c4cccc[nH+]4)CC3)cc(C)nc12 COc1ccccc1[*:1] Cc1cc(N2CCN(CC2)c2cccc[nH+]2)n2nc(C)c(c2n1)[*:1]
O=C(N/N=C\c1ccco1)c1ccc(NC(=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] O=C(N/N=C\c1ccco1)c1ccc(cc1)NC(=O)[*:1]
O=C(N/N=C\c1ccco1)c1ccc(NC(=O)C2CCCCC2)cc1 c1coc(c1)[*:1] O=C(NN=C[*:1])c1ccc(cc1)NC(=O)C1CCCCC1
CCNC(=O)C1(NC(=O)Cc2ccc(OC)c(F)c2)CCCCC1 CCNC(=O)[*:1] COc1ccc(cc1F)CC(=O)NC1(CCCCC1)[*:1]
CC(C)CC(=O)NNc1cccc(F)c1F CC(C)[*:1] O=C(C[*:1])NNc1cccc(F)c1F
CC(C)CC(=O)NNc1cccc(F)c1F CC(C)C[*:1] O=C(NNc1cccc(F)c1F)[*:1]
Cc1nc(Cn2c(N)[nH+]c3cc(Br)cnc32)cs1 Cc1nc(cs1)[*:1] Nc1[nH+]c2cc(Br)cnc2n1C[*:1]
Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)sn1 O=C1CCCCN1[*:1] Cc1cc(NC(=O)[C@@H](c2ccccc2)[*:1])sn1
Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)sn1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@@H](N2CCCCC2=O)[*:1])sn1
Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)sn1 Cc1cc(sn1)[*:1] O=C(N[*:1])[C@@H](c1ccccc1)N1CCCCC1=O
COc1ccccc1-n1cc(CN2C[C@H](C(=O)[O-])CC2=O)cn1 O=C([O-])[*:1] COc1ccccc1-n1cc(cn1)CN1C[C@H](CC1=O)[*:1]
CCOC(=O)c1cc(-c2cccc(OCC)c2)nc(N)n1 CCOC(=O)[*:1] CCOc1cccc(c1)-c1cc(nc(N)n1)[*:1]
CCOC(=O)c1cc(-c2cccc(OCC)c2)nc(N)n1 CCO[*:1] CCOC(=O)c1cc(nc(N)n1)-c1cccc(c1)[*:1]
Cc1ccccc1-n1ncc(C(=O)N2CC[S@](=O)C(C)(C)C2)c1C Cc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)N1CC[S@](=O)C(C)(C)C1
CC1=CC[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 c1ccc(cc1)[*:1] CC1=CC[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]2C1
C[NH+]1CCN(c2ccc(NC(=O)CCOc3ccccc3)cn2)CC1 c1ccc(cc1)OC[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)C[*:1]
C[NH+]1CCN(c2ccc(NC(=O)CCOc3ccccc3)cn2)CC1 c1ccc(cc1)O[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)CC[*:1]
C[NH+]1CCN(c2ccc(NC(=O)CCOc3ccccc3)cn2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)CCO[*:1]
Cc1cccc(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)c1 Cc1cccc(c1)[*:1] Cc1cc2NC(=O)[C@H](CC(=O)N[*:1])Nc2cc1C
CC(C)c1nc([C@]2([NH3+])CCCS[C@H]2C)no1 CC(C)[*:1] C[C@@H]1SCCC[C@@]1([NH3+])c1noc(n1)[*:1]
Cc1cc([C@H](C)NC(=O)N2CCCN(c3ncccc3C#N)CC2)c(C)o1 N#Cc1cccnc1[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)N1CCCN(CC1)[*:1]
Cc1cc([C@H](C)NC(=O)N2CCCN(c3ncccc3C#N)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](NC(=O)N1CCCN(CC1)c1ncccc1C#N)[*:1]
CC[C@@H](CNC(=O)NNc1cccnn1)c1ccccc1 c1cnnc(c1)[*:1] CC[C@@H](CNC(=O)NN[*:1])c1ccccc1
CC[C@@H](CNC(=O)NNc1cccnn1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)NNc1cccnn1)[*:1]
Cc1noc2ncc(NC(=O)C=C3CN(C(=O)OC(C)(C)C)C3)cc12 CC(C)(C)[*:1] Cc1noc2ncc(cc12)NC(=O)C=C1CN(C1)C(=O)O[*:1]
CC[C@@H]1COCCN1C(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CC[C@@H]1COCCN1C(=O)NC[*:1]
Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3C)CC2=O)c1 Cc1cccc(c1)[*:1] Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3C)CC2=O)c1 Cc1cc(Br)ccc1[*:1] Cc1cccc(c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1cccc(N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 Cc1cccc(c1)[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N1CCC[C@H]1C(=O)N(C)[*:1]
C[C@H](c1ccc(NC(=O)N2CCN(c3nccs3)CC2)cc1)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(CC1)c1nccs1
C[C@H](c1ccc(NC(=O)N2CCN(c3nccs3)CC2)cc1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](c1ccc(cc1)NC(=O)N1CCN(CC1)c1nccs1)[*:1]
C[C@H](c1ccc(NC(=O)N2CCN(c3nccs3)CC2)cc1)N1CCOCC1 c1csc(n1)[*:1] C[C@H](c1ccc(cc1)NC(=O)N1CCN(CC1)[*:1])N1CCOCC1
CC(C)N(C)C(=O)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 CC(C)[*:1] CN(C(=O)C1CC[NH+](CC1)CC1CCC(C)(C)CC1)[*:1]
CC(C)N(C)C(=O)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 CC(C)N(C)C(=O)[*:1] CC1(C)CCC(CC1)C[NH+]1CCC(CC1)[*:1]
COc1ccc(N2C[NH+](Cc3ccccn3)Cn3c2nc(C)c(C)c3=O)cc1 c1ccc(C[*:1])nc1 COc1ccc(cc1)N1C[NH+](Cn2c1nc(C)c(C)c2=O)[*:1]
COc1ccc(N2C[NH+](Cc3ccccn3)Cn3c2nc(C)c(C)c3=O)cc1 COc1ccc(cc1)[*:1] Cc1nc2N(C[NH+](Cc3ccccn3)Cn2c(=O)c1C)[*:1]
COc1ccc(N2C[NH+](Cc3ccccn3)Cn3c2nc(C)c(C)c3=O)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)N1C[NH+](Cn2c1nc(C)c(C)c2=O)C[*:1]
O=C(NCc1nnc2n1CCC2)N1CCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1nnc2CCCn21)N1CCC[C@@H]1CC[*:1]
O=C(NCc1nnc2n1CCC2)N1CCC[C@@H]1CCc1ccccc1 C1Cc2nnc(n2C1)[*:1] O=C(NC[*:1])N1CCC[C@@H]1CCc1ccccc1
O=C(NCc1nnc2n1CCC2)N1CCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCc1nnc2CCCn21)N1CCC[C@@H]1C[*:1]
O=C(NCc1nnc2n1CCC2)N1CCC[C@@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(NCc1nnc2CCCn21)N1CCC[C@H]1[*:1]
CCOC[C@H]1CCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)C1 CCO[*:1] C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)C1 CCOC[*:1] C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@@H](C1)[*:1]
Cc1cc(C)n2nc(C)c(C(=O)NCCOc3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1cc(C)n2nc(C)c(C(=O)NCCO[*:1])c2n1
Cc1cc(C)n2nc(C)c(C(=O)NCCOc3ccccc3)c2n1 c1ccc(cc1)O[*:1] Cc1cc(C)n2nc(C)c(C(=O)NCC[*:1])c2n1
Cc1cc(C)n2nc(C)c(C(=O)NCCOc3ccccc3)c2n1 c1ccc(cc1)OC[*:1] Cc1cc(C)n2nc(C)c(C(=O)NC[*:1])c2n1
COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1S(N)(=O)=O Clc1ccc(cc1)[*:1] COc1ccc(cc1S(N)(=O)=O)NC(=O)c1ccc(o1)[*:1]
COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])NC(=O)c1ccc(o1)-c1ccc(Cl)cc1
CN1C(SCC2[NH+]=c3ccccc3=[NH+]2)=NN[C@H]1c1cccc(NC(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] CN1C(=NN[C@H]1c1cccc(c1)NC(=O)[*:1])SCC1[NH+]=c2ccccc2=[NH+]1
CN1C(SCC2[NH+]=c3ccccc3=[NH+]2)=NN[C@H]1c1cccc(NC(=O)c2ccccc2F)c1 O=C(N[*:1])c1ccccc1F CN1C(=NN[C@H]1c1cccc(c1)[*:1])SCC1[NH+]=c2ccccc2=[NH+]1
O=C(NCc1cccnc1)C(=O)Nc1n[nH]c2ncccc12 c1cncc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1n[nH]c2ncccc12
O=C(NCc1cccnc1)C(=O)Nc1n[nH]c2ncccc12 c1cncc(c1)C[*:1] O=C(Nc1n[nH]c2ncccc12)C(=O)N[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)c1c(F)cccc1F CCS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)c1c(F)cccc1F
CCS(=O)(=O)C[C@@H](C)NC(=O)c1c(F)cccc1F CCS(=O)(=O)C[*:1] C[C@@H](NC(=O)c1c(F)cccc1F)[*:1]
COc1ccc(OCC(=O)N[C@@H](C)C(C)C)c([N+](=O)[O-])c1 CC(C)[*:1] COc1ccc(OCC(=O)N[C@@H](C)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(OCC(=O)N[C@@H](C)C(C)C)c([N+](=O)[O-])c1 CC(C)[C@H](C)[*:1] COc1ccc(OCC(=O)N[*:1])c(c1)[N+](=O)[O-]
COc1ccc(OCC(=O)N[C@@H](C)C(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OCC(=O)N[C@@H](C)C(C)C)c(c1)[*:1]
CC1=C(C(=O)N2CCOCC2)[C@H](c2sccc2C)NC(=S)N1 Cc1ccsc1[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N1CCOCC1)[*:1]
CCC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@@]1(C)CCCO1 CCC[*:1] C[C@@]1(CCCO1)[C@H](Cc1c(F)cccc1Cl)[NH2+][*:1]
Cc1cc(S(=O)(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)ccc1F Cc1cc(ccc1F)[*:1] Cc1nc(nc2c1CCC(=O)N2C)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CCS(=O)(=O)c1ccc(N[C@H]2CS[C@@H](C)C2)cc1 CCS(=O)(=O)[*:1] C[C@H]1C[C@H](CS1)Nc1ccc(cc1)[*:1]
CSCCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] CSC[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)NC[*:1]
CSCCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] CSCC[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)N[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(O)cc2)c1 COc1cccc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(O)cc2)N1Cc1ccncc1
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(O)cc2)c1 c1cc(ccn1)C[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(O)cc1)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(O)cc2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(O)cc1
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(O)cc2)c1 Oc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(Cc2ccncc2)[C@H]1[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(O)cc2)c1 COc1cccc(c1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(O)cc2)N1Cc1ccncc1)[*:1]
CCCn1c(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)nc2ccccc21 Fc1ccc(cc1)[*:1] CCCn1c(nc2ccccc21)NC(=O)c1nc(C)n(n1)[*:1]
CCCn1c(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)nc2ccccc21 CCC[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)Nc1nc2ccccc2n1[*:1]
Cc1ccc(NCc2ccccc2OCC(C)C)cc1 CC(C)CO[*:1] Cc1ccc(cc1)NCc1ccccc1[*:1]
Cc1ccc(NCc2ccccc2OCC(C)C)cc1 CC(C)C[*:1] Cc1ccc(cc1)NCc1ccccc1O[*:1]
Cc1ccc(NCc2ccccc2OCC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)NCc1ccccc1OC[*:1]
CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 CCc1ccccc1[*:1] COc1ccc(cc1)N1C(=O)CC[C@H](C(=O)N[*:1])[C@@H]1c1ccccc1
CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 COc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)[C@H]1CCC(=O)N([C@H]1c1ccccc1)[*:1]
CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(cc2)OC)[C@@H]1[*:1]
CC1([C@@]2(C)C[C@@H]2C(=O)[O-])CC1 O=C([O-])[*:1] CC1(CC1)[C@@]1(C)C[C@H]1[*:1]
CCC[C@H](C[NH3+])Nc1nc2c([N+](=O)[O-])cccc2o1 O=[N+]([O-])[*:1] CCC[C@H](C[NH3+])Nc1nc2c(cccc2o1)[*:1]
CCC[C@H](C[NH3+])Nc1nc2c([N+](=O)[O-])cccc2o1 CCC[*:1] [NH3+]C[C@H](Nc1nc2c(cccc2o1)[N+](=O)[O-])[*:1]
CN(CCc1cccs1)C(=O)N[C@@H]1COC[C@H]1C(=O)[O-] c1csc(c1)[*:1] CN(CC[*:1])C(=O)N[C@@H]1COC[C@H]1C(=O)[O-]
CN(CCc1cccs1)C(=O)N[C@@H]1COC[C@H]1C(=O)[O-] c1csc(c1)C[*:1] CN(C[*:1])C(=O)N[C@@H]1COC[C@H]1C(=O)[O-]
CN(CCc1cccs1)C(=O)N[C@@H]1COC[C@H]1C(=O)[O-] O=C([O-])[*:1] CN(CCc1cccs1)C(=O)N[C@@H]1COC[C@@H]1[*:1]
Cc1ccc(C)c(NC(=O)c2ccc3c(c2)nnn3C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)NC(=O)c1ccc2c(c1)nnn2[*:1]
C#CCN1CCN(CC(=O)N[C@@H](C)c2ccccc2OC)CC1 C#CC[*:1] COc1ccccc1[C@H](C)NC(=O)CN1CCN(CC1)[*:1]
Cc1ccccc1-c1ccc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c(N2CCOCC2)n1 Cc1ccccc1[*:1] O=C(c1ccc(nc1N1CCOCC1)[*:1])N1CC[NH+](CC1)[C@H]1CCc2ccccc2C1
Cc1ccccc1-c1ccc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c(N2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1ccccc1-c1ccc(C(=O)N2CC[NH+](CC2)[C@H]2CCc3ccccc3C2)c(n1)[*:1]
Cc1cc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)ccc1Br c1ccc(cc1)[*:1] Cc1cc(ccc1Br)NC(=O)Cc1csc(n1)NC(=O)N[*:1]
Cc1cc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(Cc1csc(n1)NC(=O)Nc1ccccc1)N[*:1]
C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccn(C)c1 Cn1ccc(c1)[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C[*:1]
C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccn(C)c1 c1ccc(cc1)[*:1] C[C@H]1CO[C@@H]([C@H](C)N1Cc1ccn(C)c1)[*:1]
C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccn(C)c1 Cn1ccc(c1)C[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1[*:1]
COC(=O)c1cccc(CCNS(=O)(=O)c2ccc(C#N)cc2C)c1 COC(=O)[*:1] Cc1cc(C#N)ccc1S(=O)(=O)NCCc1cccc(c1)[*:1]
CCC[NH2+][C@@H](Cc1ncccc1C)c1ccc(Cl)cc1 CCC[*:1] Cc1cccnc1C[C@H]([NH2+][*:1])c1ccc(Cl)cc1
CC[S@@](=O)[C@H]1CCCC[C@@H]1Nc1nc(-c2ccncc2)nc2c1CCC2 c1cc(ccn1)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1Nc1nc(nc2CCCc21)[*:1]
Cc1ccc(C(=O)N(C(C)C)C2CCOCC2)cc1F CC(C)[*:1] Cc1ccc(cc1F)C(=O)N(C1CCOCC1)[*:1]
Cc1ccc(C(=O)N(C(C)C)C2CCOCC2)cc1F C1CC(CCO1)[*:1] Cc1ccc(cc1F)C(=O)N(C(C)C)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)C1 Brc1cnn(c1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1ccc(cc1)C[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)C1 Brc1cnn(c1)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1ccc(cc1)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 c1ccc(nc1)[*:1] C[C@H](N(C)C(=O)Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 C[C@H](c1ccccn1)[*:1] CN(C(=O)Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
O=C(COC(=O)C1CC1)Nc1ccc(OC(F)F)cc1 O=C(O[*:1])C1CC1 O=C(C[*:1])Nc1ccc(cc1)OC(F)F
O=C(COC(=O)C1CC1)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(COC(=O)C1CC1)Nc1ccc(cc1)O[*:1]
O=C(COC(=O)C1CC1)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(COC(=O)C1CC1)Nc1ccc(cc1)[*:1]
O=C(COC(=O)C1CC1)Nc1ccc(OC(F)F)cc1 C1CC1[*:1] O=C(COC(=O)[*:1])Nc1ccc(cc1)OC(F)F
COCCOCC(=O)Nc1cc2c(cc1Cl)OCCCO2 COCCO[*:1] O=C(C[*:1])Nc1cc2OCCCOc2cc1Cl
COCCOCC(=O)Nc1cc2c(cc1Cl)OCCCO2 COCCOC[*:1] O=C(Nc1cc2OCCCOc2cc1Cl)[*:1]
COCCOCC(=O)Nc1cc2c(cc1Cl)OCCCO2 COCC[*:1] O=C(CO[*:1])Nc1cc2OCCCOc2cc1Cl
COCCOCC(=O)Nc1cc2c(cc1Cl)OCCCO2 COC[*:1] O=C(COC[*:1])Nc1cc2OCCCOc2cc1Cl
O=c1[nH]c(Cc2cccs2)nc2sc3c(c12)CCCS3 c1csc(c1)[*:1] O=c1[nH]c(C[*:1])nc2sc3SCCCc3c12
O=c1[nH]c(Cc2cccs2)nc2sc3c(c12)CCCS3 c1csc(c1)C[*:1] O=c1[nH]c(nc2sc3SCCCc3c12)[*:1]
COC(=O)c1ccc(NC(=O)C2CCN(c3ncccc3S(=O)(=O)N3CCOCC3)CC2)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ncccc1S(=O)(=O)N1CCOCC1
COC(=O)c1ccc(NC(=O)C2CCN(c3ncccc3S(=O)(=O)N3CCOCC3)CC2)cc1 O=S(=O)(N1CCOCC1)[*:1] COC(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)c1ncccc1[*:1]
COC(=O)c1ccc(NC(=O)C2CCN(c3ncccc3S(=O)(=O)N3CCOCC3)CC2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)c1ncccc1S(=O)(=O)N1CCOCC1
CCCc1ccc([C@@H](NC(=O)N2CCCN(C(=O)CC)CC2)C(C)C)cc1 CCC[*:1] CCC(=O)N1CCCN(CC1)C(=O)N[C@H](c1ccc(cc1)[*:1])C(C)C
CCCc1ccc([C@@H](NC(=O)N2CCCN(C(=O)CC)CC2)C(C)C)cc1 CC(C)[*:1] CCCc1ccc(cc1)[C@@H](NC(=O)N1CCCN(CC1)C(=O)CC)[*:1]
CCCc1ccc([C@@H](NC(=O)N2CCCN(C(=O)CC)CC2)C(C)C)cc1 CCCc1ccc(cc1)[*:1] CCC(=O)N1CCCN(CC1)C(=O)N[C@@H](C(C)C)[*:1]
CCn1c(NC(=O)CCl)nc2ccccc21 O=C(CCl)N[*:1] CCn1c(nc2ccccc21)[*:1]
C[NH2+]C[C@H]1CCCCN1c1nc2cc([N+](=O)[O-])ccc2o1 O=[N+]([O-])[*:1] C[NH2+]C[C@H]1CCCCN1c1nc2cc(ccc2o1)[*:1]
O=C(NCC1(Sc2ccccc2)CC1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(NCC1(CC1)Sc1ccccc1)N1CCN(CC1)C[*:1]
O=C(NCC1(Sc2ccccc2)CC1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] O=C(NCC1(CC1)Sc1ccccc1)N1CCN(CC1)[*:1]
O=C(NCC1(Sc2ccccc2)CC1)N1CCN(Cc2ccncc2)CC1 c1ccc(cc1)[*:1] O=C(NCC1(CC1)S[*:1])N1CCN(CC1)Cc1ccncc1
O=C(NCC1(Sc2ccccc2)CC1)N1CCN(Cc2ccncc2)CC1 c1ccc(cc1)S[*:1] O=C(NCC1(CC1)[*:1])N1CCN(CC1)Cc1ccncc1
CC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2)c1 CC(=O)N[*:1] O=C(/C=C/c1ccccc1)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)C(=O)C=C[*:1]
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(S(=O)(=O)c1ccc(F)cc1)CC2 Fc1ccc(cc1)[*:1] COc1cc2CCN([C@@H](c3ccccc3)c2cc1OC)S(=O)(=O)[*:1]
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(S(=O)(=O)c1ccc(F)cc1)CC2 c1ccc(cc1)[*:1] COc1cc2CCN([C@@H](c2cc1OC)[*:1])S(=O)(=O)c1ccc(F)cc1
CCCc1nnsc1C(=O)N1CCc2nc(NC(=O)c3cccs3)sc2C1 c1csc(c1)[*:1] CCCc1nnsc1C(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
CCCc1nnsc1C(=O)N1CCc2nc(NC(=O)c3cccs3)sc2C1 CCC[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1snnc1[*:1])c1cccs1
CCCc1nnsc1C(=O)N1CCc2nc(NC(=O)c3cccs3)sc2C1 O=C(N[*:1])c1cccs1 CCCc1nnsc1C(=O)N1CCc2nc(sc2C1)[*:1]
CCCc1nnsc1C(=O)N1CCc2nc(NC(=O)c3cccs3)sc2C1 CCCc1nnsc1[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])c1cccs1
Cc1ccc(C)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@@H](C)Cl)c2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H](Cl)C(=O)Nc1cccc(c1)[C@@H]1SCC(=O)N1[*:1]
Cc1ccc(C)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@@H](C)Cl)c2)c1 C[C@@H](Cl)C(=O)N[*:1] Cc1ccc(C)c(c1)N1C(=O)CS[C@H]1c1cccc(c1)[*:1]
Cc1ccc(C)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@@H](C)Cl)c2)c1 C[C@@H](Cl)[*:1] Cc1ccc(C)c(c1)N1C(=O)CS[C@H]1c1cccc(c1)NC(=O)[*:1]
COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n3n2)cc1 COc1ccc(C=C[*:1])cc1 COc1cc(/C=c2\sc3nc(nn3c2=O)[*:1])ccc1OC(C)=O
COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n3n2)cc1 CC(=O)O[*:1] COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(c(c4)OC)[*:1])c(=O)n3n2)cc1
COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n3n2)cc1 COc1ccc(cc1)[*:1] COc1cc(/C=c2\sc3nc(C=C[*:1])nn3c2=O)ccc1OC(C)=O
C=CCNC(=O)COc1ccc(CO)cc1Cl C=CC[*:1] O=C(COc1ccc(cc1Cl)CO)N[*:1]
O=C1CSC2=NC(c3ccc(OC(F)F)cc3)=C[C@H](c3ccccc3)N12 FC(F)O[*:1] O=C1CSC2=NC(=C[C@H](c3ccccc3)N12)c1ccc(cc1)[*:1]
O=C1CSC2=NC(c3ccc(OC(F)F)cc3)=C[C@H](c3ccccc3)N12 c1ccc(cc1)[*:1] O=C1CSC2=NC(=C[C@H](N12)[*:1])c1ccc(cc1)OC(F)F
O=C1CSC2=NC(c3ccc(OC(F)F)cc3)=C[C@H](c3ccccc3)N12 FC(F)[*:1] O=C1CSC2=NC(=C[C@H](c3ccccc3)N12)c1ccc(cc1)O[*:1]
CC[C@@](O)(C(=O)[O-])[C@H]1CCc2ccc(OC)cc21 O=C([O-])[*:1] CC[C@@](O)([C@H]1CCc2ccc(cc21)OC)[*:1]
CNC(=O)Cc1ccc(NC(=O)C2CC=CC2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])C1CC=CC1
CNC(=O)Cc1ccc(NC(=O)C2CC=CC2)cc1 CNC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])C1CC=CC1
COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)C(=O)NNC(=S)NC(=O)C=C[*:1]
COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(C)o2)cc1 Cc1ccc(C=C[*:1])o1 COc1ccc(cc1)C(=O)NNC(=S)NC(=O)[*:1]
COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(C)o2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[*:1])o1
COc1ccc(CCn2cnc3c(c2=O)c2nc4ccccc4nc2n3/N=C/c2ccco2)cc1 COc1ccc(cc1)[*:1] O=c1c2c3nc4ccccc4nc3n(/N=C/c3ccco3)c2ncn1CC[*:1]
COc1ccc(CCn2cnc3c(c2=O)c2nc4ccccc4nc2n3/N=C/c2ccco2)cc1 COc1ccc(cc1)CC[*:1] O=c1c2c3nc4ccccc4nc3n(/N=C/c3ccco3)c2ncn1[*:1]
COc1ccc(CCn2cnc3c(c2=O)c2nc4ccccc4nc2n3/N=C/c2ccco2)cc1 COc1ccc(cc1)C[*:1] O=c1c2c3nc4ccccc4nc3n(/N=C/c3ccco3)c2ncn1C[*:1]
COc1ccc(CCn2cnc3c(c2=O)c2nc4ccccc4nc2n3/N=C/c2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2N=C[*:1]
Cc1ccsc1-c1cccc(NC(=O)NCc2ncc[nH]2)c1 c1c[nH]c(n1)[*:1] Cc1ccsc1-c1cccc(c1)NC(=O)NC[*:1]
Cc1ccsc1-c1cccc(NC(=O)NCc2ncc[nH]2)c1 c1c[nH]c(C[*:1])n1 Cc1ccsc1-c1cccc(c1)NC(=O)N[*:1]
Cc1ccsc1-c1cccc(NC(=O)NCc2ncc[nH]2)c1 Cc1ccsc1[*:1] O=C(NCc1ncc[nH]1)Nc1cccc(c1)[*:1]
O=S(=O)(c1ccc(-c2ccno2)s1)N1CCN(c2cc[nH+]cc2)CC1 c1cc(on1)[*:1] O=S(=O)(c1ccc(s1)[*:1])N1CCN(CC1)c1cc[nH+]cc1
Cn1cc(-c2noc([C@@H]3CC[C@H]4CCCC[C@@H]4[NH2+]3)n2)cn1 Cn1cc(cn1)[*:1] C1CC[C@@H]2CC[C@H]([NH2+][C@H]2C1)c1nc(no1)[*:1]
CC(C)(C)c1ccc(-c2csc(NC(=O)CN3CCN(c4ncccn4)CC3)n2)cc1 CC(C)(C)[*:1] O=C(CN1CCN(CC1)c1ncccn1)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(-c2csc(NC(=O)CN3CCN(c4ncccn4)CC3)n2)cc1 c1cnc(nc1)[*:1] CC(C)(C)c1ccc(cc1)-c1csc(n1)NC(=O)CN1CCN(CC1)[*:1]
CC(C)(C)c1ccc(-c2csc(NC(=O)CN3CCN(c4ncccn4)CC3)n2)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)c1ncccn1)Nc1nc(cs1)[*:1]
COc1ccc(CC(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)CC(=O)N(c1nc2c(F)cccc2s1)[*:1]
COc1ccc(CC(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)CC(=O)N(C[*:1])c1nc2c(F)cccc2s1
COc1ccc(CC(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)cc1 COc1ccc(cc1)C[*:1] O=C(N(Cc1cccnc1)c1nc2c(F)cccc2s1)[*:1]
COc1ccc(CC(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])N(Cc1cccnc1)c1nc2c(F)cccc2s1
C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CC1)[*:1]
C[NH+]1CCN(c2nc3c(c(Nc4ccc(Cl)cc4)n2)C(=O)CCC3)CC1 Clc1ccc(cc1)N[*:1] C[NH+]1CCN(CC1)c1nc2CCCC(=O)c2c(n1)[*:1]
C[NH+]1CCN(c2nc3c(c(Nc4ccc(Cl)cc4)n2)C(=O)CCC3)CC1 Clc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1nc2CCCC(=O)c2c(n1)N[*:1]
CCOc1ccccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 CCO[*:1] O=[N+]([O-])c1ccc(cc1)-c1noc(CNc2ccccc2[*:1])n1
CCOc1ccccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 O=[N+]([O-])[*:1] CCOc1ccccc1NCc1nc(no1)-c1ccc(cc1)[*:1]
COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@H](CNC(C)=O)C1 CC(=O)NC[*:1] COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@H](C1)[*:1]
COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@H](CNC(C)=O)C1 CC(=O)N[*:1] COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@@H](C1)C[*:1]
C[C@@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)CCN1Cc1[nH+]ccn1C NC(=O)[*:1] C[C@@H]1CN(CCN1Cc1[nH+]ccn1C)[C@H](c1ccc(F)cc1)[*:1]
C[C@@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)CCN1Cc1[nH+]ccn1C Fc1ccc(cc1)[*:1] C[C@@H]1CN(CCN1Cc1[nH+]ccn1C)[C@H](C(N)=O)[*:1]
OC/C=C/c1cccc2ccccc12 OCC=C[*:1] c1ccc2c(cccc2c1)[*:1]
Cc1ccc([C@@H]2Nn3c(COc4ccccc4)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)[C@@H]1Sc2nnc(COc3ccccc3)n2N[C@H]1[*:1]
Cc1ccc([C@@H]2Nn3c(COc4ccccc4)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccc(cc1)[C@@H]1Nn2c(COc3ccccc3)nnc2S[C@@H]1[*:1]
Cc1ccc([C@@H]2Nn3c(COc4ccccc4)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1Nn2c(CO[*:1])nnc2S[C@H]1C(=O)Nc1ccc(F)cc1
Cc1ccc([C@@H]2Nn3c(COc4ccccc4)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 c1ccc(cc1)OC[*:1] Cc1ccc(cc1)[C@@H]1Nn2c(nnc2[*:1])S[C@H]1C(=O)Nc1ccc(F)cc1
Cc1ccc([C@@H]2Nn3c(COc4ccccc4)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1Nn2c(COc3ccccc3)nnc2S[C@H]1C(=O)N[*:1]
Cc1ccc([C@@H]2Nn3c(COc4ccccc4)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 c1ccc(cc1)O[*:1] Cc1ccc(cc1)[C@@H]1Nn2c(C[*:1])nnc2S[C@H]1C(=O)Nc1ccc(F)cc1
Cc1cnc([C@@H](C)NC(=O)N2CCC[C@@H]3CCC[C@@H]32)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)[*:1]
Cc1cc(=O)n2ncc(C(=O)NN)c2[nH]1 NNC(=O)[*:1] Cc1cc(=O)n2ncc(c2[nH]1)[*:1]
CCS(=O)(=O)NCc1ccc(C(=O)N2C[C@H](C)S[C@@H](C)C2)cc1 CCS(=O)(=O)N[*:1] C[C@H]1CN(C[C@H](C)S1)C(=O)c1ccc(cc1)C[*:1]
CCS(=O)(=O)NCc1ccc(C(=O)N2C[C@H](C)S[C@@H](C)C2)cc1 CCS(=O)(=O)NC[*:1] C[C@H]1CN(C[C@H](C)S1)C(=O)c1ccc(cc1)[*:1]
CCC(CC)C(=O)NCc1nc(-c2ccccc2)no1 CCC(CC)[*:1] O=C(NCc1nc(no1)-c1ccccc1)[*:1]
CCC(CC)C(=O)NCc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CCC(CC)C(=O)NCc1nc(no1)[*:1]
CN(C)C(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2O1 CN(C)C(=O)[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1C[C@H](Oc2ccccc21)[*:1]
CN(C)C(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2O1 N#Cc1ccc(cc1)[*:1] CN(C)C(=O)[C@@H]1CN(c2ccccc2O1)S(=O)(=O)[*:1]
COc1ccc([N+](=O)[O-])cc1C[NH+](C)C1CCC(=O)CC1 O=[N+]([O-])[*:1] COc1ccc(cc1C[NH+](C)C1CCC(=O)CC1)[*:1]
COc1c(Cl)ccc2sc(N3CC[NH+](CCNC(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 O=[N+]([O-])c1ccc(cc1)[*:1] COc1c(Cl)ccc2sc(nc12)N1CC[NH+](CCNC(=O)[*:1])CC1
COc1c(Cl)ccc2sc(N3CC[NH+](CCNC(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 O=[N+]([O-])[*:1] COc1c(Cl)ccc2sc(nc12)N1CC[NH+](CCNC(=O)c2ccc(cc2)[*:1])CC1
CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1ccccc1)C2=O c1ccc(cc1)C[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC(=O)N[*:1])CC=21)c1ccccc1Cl
CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1ccccc1)C2=O O=C(NCc1ccccc1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)C[*:1])c1ccccc1Cl
CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1ccccc1)C2=O Clc1ccccc1[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC(=O)NCc3ccccc3)CC=21)[*:1]
CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1ccccc1)C2=O c1ccc(cc1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC(=O)NC[*:1])CC=21)c1ccccc1Cl
COCCOc1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c(C)c1 COC[*:1] Cc1cc(ccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1)OC[*:1]
COCCOc1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c(C)c1 COCC[*:1] Cc1cc(ccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1)O[*:1]
COCCOc1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c(C)c1 COCCO[*:1] Cc1cc(ccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1)[*:1]
CC(C)Oc1ncnc(NC[C@H](C)C(C)C)c1N CC(C)[*:1] CC(C)Oc1ncnc(NC[C@H](C)[*:1])c1N
CC(C)Oc1ncnc(NC[C@H](C)C(C)C)c1N CC(C)O[*:1] CC(C)[C@@H](C)CNc1ncnc(c1N)[*:1]
CC(C)Oc1ncnc(NC[C@H](C)C(C)C)c1N CC(C)[C@@H](C)[*:1] CC(C)Oc1ncnc(NC[*:1])c1N
CC(C)Oc1ncnc(NC[C@H](C)C(C)C)c1N CC(C)[*:1] CC(C)[C@@H](C)CNc1ncnc(O[*:1])c1N
CC(C)Oc1ncnc(NC[C@H](C)C(C)C)c1N CC(C)[C@@H](C)C[*:1] CC(C)Oc1ncnc(N[*:1])c1N
Cc1csc2nc(SCCOc3ccc(Cl)cc3)[nH]c(=O)c12 Clc1ccc(cc1)[*:1] Cc1csc2nc([nH]c(=O)c12)SCCO[*:1]
O=C(NCc1nc(-c2ccccc2)no1)c1cc2cccc(Cl)c2o1 c1ccc(cc1)[*:1] O=C(NCc1nc(no1)[*:1])c1cc2cccc(Cl)c2o1
CC1=C(C(=O)OC(C)C)[C@H](c2ccco2)n2c(nc3ccccc32)N1 c1coc(c1)[*:1] CC1Nc2nc3ccccc3n2[C@@H](C=1C(=O)OC(C)C)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccco2)n2c(nc3ccccc32)N1 CC(C)OC(=O)[*:1] CC1Nc2nc3ccccc3n2[C@H](C=1[*:1])c1ccco1
CC1=C(C(=O)OC(C)C)[C@H](c2ccco2)n2c(nc3ccccc32)N1 CC(C)[*:1] CC1Nc2nc3ccccc3n2[C@H](C=1C(=O)O[*:1])c1ccco1
C[C@@]1(C(=O)[O-])COC[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 O=C([O-])[*:1] C[C@]1(COC[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1)[*:1]
Cc1nc(C)c(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)o1 Fc1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H]([C@@H]1CCCO1)[*:1]
Cc1nc(C)c(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)o1 C1CO[C@@H](C1)[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
Cc1nc(C)c(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)o1 Cc1nc(C)c(o1)[*:1] O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)[*:1]
c1ccc(Cc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 c1ccc(cc1)[*:1] c1ccc2c(c[nH]c2c1)-c1nn2c(C[*:1])nnc2s1
c1ccc(Cc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 c1ccc(cc1)C[*:1] c1ccc2c(c[nH]c2c1)-c1nn2c(nnc2s1)[*:1]
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 O=C([O-])[*:1] O=C([C@H]1[C@H]2CC[C@H](O2)[C@@H]1[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(CC1)[*:1]
COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCc4ccc([N+](=O)[O-])cc4)nc3nc2C1 COc1ccccc1[*:1] O=C1C[C@H](Cc2nc3nc(nn3cc21)SCc1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCc4ccc([N+](=O)[O-])cc4)nc3nc2C1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccccc1[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)SC[*:1]
COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCc4ccc([N+](=O)[O-])cc4)nc3nc2C1 O=[N+]([O-])c1ccc(cc1)CS[*:1] COc1ccccc1[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)[*:1]
COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCc4ccc([N+](=O)[O-])cc4)nc3nc2C1 O=[N+]([O-])c1ccc(cc1)C[*:1] COc1ccccc1[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)S[*:1]
COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCc4ccc([N+](=O)[O-])cc4)nc3nc2C1 O=[N+]([O-])[*:1] COc1ccccc1[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)SCc1ccc(cc1)[*:1]
CN(C)c1cc(CNC(=O)CCc2ccncc2)c2ccccc2[nH+]1 c1cc(ccn1)[*:1] CN(C)c1cc(CNC(=O)CC[*:1])c2ccccc2[nH+]1
CN(C)c1cc(CNC(=O)CCc2ccncc2)c2ccccc2[nH+]1 c1cc(ccn1)CC[*:1] CN(C)c1cc(CNC(=O)[*:1])c2ccccc2[nH+]1
CN(C)c1cc(CNC(=O)CCc2ccncc2)c2ccccc2[nH+]1 CN(C)[*:1] O=C(CCc1ccncc1)NCc1cc([nH+]c2ccccc12)[*:1]
CN(C)c1cc(CNC(=O)CCc2ccncc2)c2ccccc2[nH+]1 c1cc(ccn1)C[*:1] CN(C)c1cc(CNC(=O)C[*:1])c2ccccc2[nH+]1
Cn1c(=O)c2c(nc(N/N=C\C(Br)=C/c3ccccc3)n2Cc2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(N/N=C\C(Br)=C/c3ccccc3)n2C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N/N=C\C(Br)=C/c3ccccc3)n2Cc2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(N/N=C\C(\Br)=C[*:1])n2Cc2ccccc2)n(C)c1=O
Cn1c(=O)c2c(nc(N/N=C\C(Br)=C/c3ccccc3)n2Cc2ccccc2)n(C)c1=O c1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(N/N=C\C(Br)=C/c3ccccc3)n2[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N/N=C\C(Br)=C/c3ccccc3)n2Cc2ccccc2)n(C)c1=O Br/C(=C/c1ccccc1)[*:1] Cn1c(=O)c2c(nc(NN=C[*:1])n2Cc2ccccc2)n(C)c1=O
O=C(NCc1ccco1)C(=O)Nc1cc(Cl)ccc1Cl c1coc(c1)C[*:1] O=C(Nc1cc(Cl)ccc1Cl)C(=O)N[*:1]
O=C(NCc1ccco1)C(=O)Nc1cc(Cl)ccc1Cl c1coc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1cc(Cl)ccc1Cl
Cn1cncc1C[NH+](C)CC(C)(C)O CC(C)(O)[*:1] Cn1cncc1C[NH+](C)C[*:1]
CCCc1nc(-c2cc(Cl)cs2)nc(NC)c1Br Clc1csc(c1)[*:1] CCCc1nc(nc(NC)c1Br)[*:1]
CCCc1nc(-c2cc(Cl)cs2)nc(NC)c1Br CCC[*:1] CNc1nc(nc(c1Br)[*:1])-c1cc(Cl)cs1
CCn1c(COc2cccc3cccnc23)nnc1SCC(N)=O NC(=O)CS[*:1] CCn1c(COc2cccc3cccnc23)nnc1[*:1]
CCn1c(COc2cccc3cccnc23)nnc1SCC(N)=O NC(=O)C[*:1] CCn1c(COc2cccc3cccnc23)nnc1S[*:1]
CCn1c(COc2cccc3cccnc23)nnc1SCC(N)=O NC(=O)[*:1] CCn1c(COc2cccc3cccnc23)nnc1SC[*:1]
C[C@H]1CCc2c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)csc2C1 NS(=O)(=O)[*:1] C[C@H]1CCc2c(csc2C1)C(=O)NCc1ccc(cc1)[*:1]
O=C(CNC(=O)c1ccccc1Br)NC1COC1 C1OCC1[*:1] O=C(CNC(=O)c1ccccc1Br)N[*:1]
Cc1cc(NC(=O)c2ccc(Br)cc2N)ccc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ccc(Br)cc1N
C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(-c2ccc(F)cc2)cc1 CC(C)(C)C(=O)NC[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(-c2ccc(F)cc2)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)CNC(=O)[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(-c2ccc(F)cc2)cc1 CC(C)(C)C(=O)N[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccc(F)cc1
Cc1ccc(C)c(N2N=C(C(=O)NCc3cccnc3)CCC2=O)c1 c1cncc(c1)C[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)N[*:1]
Cc1ccc(C)c(N2N=C(C(=O)NCc3cccnc3)CCC2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCc1cccnc1)C1CCC(=O)N(N=1)[*:1]
Cc1ccc(C)c(N2N=C(C(=O)NCc3cccnc3)CCC2=O)c1 c1cncc(c1)[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)NC[*:1]
CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)[O-] CC(C)[*:1] O=C(Cc1cccc2ccccc12)N[C@H](C(=O)[O-])[*:1]
CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)[*:1]
CCC[C@H](Cc1nc([C@@H]2CN(C)CCO2)no1)[NH2+]C CCC[*:1] C[NH2+][C@@H](Cc1nc(no1)[C@@H]1CN(C)CCO1)[*:1]
O=C([C@@H]1[N-]C(C2=CC=C[C@H]3N=CC=C23)=NO1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@@H]1[N-]C(=NO1)C1=CC=C[C@H]2N=CC=C12)N1CCN(CC1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(C)[C@H]2c2ccc(Cl)cc2Cl)cc1OC Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1OC)C(=O)C1=C([O-])C(=O)N(C)[C@@H]1[*:1]
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2C[C@@H](C)C[C@H](C)C2)C1=O Clc1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CC(=O)N2C[C@@H](C)C[C@H](C)C2)C1=O)[*:1]
COC(=O)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 N#Cc1ccccc1[*:1] COC(=O)CNC(=O)c1ccc(cc1)OC[*:1]
COC(=O)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 COC(=O)C[*:1] N#Cc1ccccc1COc1ccc(cc1)C(=O)N[*:1]
COC(=O)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 COC(=O)[*:1] N#Cc1ccccc1COc1ccc(cc1)C(=O)NC[*:1]
COC(=O)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 COC(=O)CNC(=O)[*:1] N#Cc1ccccc1COc1ccc(cc1)[*:1]
CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)no1 c1cc(cs1)[*:1] CC(C)(C)c1cc(no1)NC(=O)N1CCCN(CC1)C(=O)[*:1]
CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)no1 CC(C)(C)[*:1] O=C(Nc1cc(on1)[*:1])N1CCCN(CC1)C(=O)c1ccsc1
CCN(Cc1cccc(F)c1)C(=O)CNc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCN(Cc1cccc(F)c1)C(=O)CNc1ccc(F)c(c1)[*:1]
CCN(Cc1cccc(F)c1)C(=O)CNc1ccc(F)c([N+](=O)[O-])c1 Fc1cccc(c1)[*:1] CCN(C[*:1])C(=O)CNc1ccc(F)c(c1)[N+](=O)[O-]
CCN(Cc1cccc(F)c1)C(=O)CNc1ccc(F)c([N+](=O)[O-])c1 Fc1cccc(c1)C[*:1] CCN(C(=O)CNc1ccc(F)c(c1)[N+](=O)[O-])[*:1]
COC(=O)c1ccc(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)o1 COc1ccc(cc1)[*:1] COC(=O)c1ccc(CN2CCN(CC2)C(=O)[*:1])o1
COC(=O)c1ccc(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)o1 COC(=O)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccc(o1)[*:1]
C[NH+](C)CCn1cccc1[C@H]([NH3+])c1ccncc1 c1cc(ccn1)[*:1] C[NH+](C)CCn1cccc1[C@H]([NH3+])[*:1]
CCC[C@@H](C#N)[C@](O)(CC)COC COC[*:1] CCC[C@@H](C#N)[C@](O)(CC)[*:1]
CCC[C@@H](C#N)[C@](O)(CC)COC CCC[*:1] CC[C@](O)(COC)[C@H](C#N)[*:1]
COc1ccc(C[NH+]2CCC(CNC(=O)C3CCN(c4ncccn4)CC3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(NCC1CC[NH+](CC1)[*:1])C1CCN(CC1)c1ncccn1
COc1ccc(C[NH+]2CCC(CNC(=O)C3CCN(c4ncccn4)CC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])C1CCN(CC1)c1ncccn1
COc1ccc(C[NH+]2CCC(CNC(=O)C3CCN(c4ncccn4)CC3)CC2)cc1 c1cnc(nc1)[*:1] COc1ccc(cc1)C[NH+]1CCC(CC1)CNC(=O)C1CCN(CC1)[*:1]
Cc1cc(N2CCN(c3ccc(F)cc3)CC2)n2ncnc2n1 Fc1ccc(cc1)[*:1] Cc1cc(N2CCN(CC2)[*:1])n2ncnc2n1
O=C(Nc1ccc2ncccc2c1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2ncccc2c1)[C@@H]1CSCN1C(=O)[*:1]
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CCCCC1 C1CCC(CC1)[*:1] CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[*:1]
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CCCCC1 Fc1ccc(cc1)[*:1] CCN(CC(=O)NC[*:1])C(=O)C1CCCCC1
C[C@@H](c1ccccc1)S(=O)(=O)CC(=O)Nc1cc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](c1ccccc1)S(=O)(=O)CC(=O)Nc1cc(no1)[*:1]
C[C@@H](c1ccccc1)S(=O)(=O)CC(=O)Nc1cc(C(C)(C)C)no1 C[C@@H](c1ccccc1)[*:1] CC(C)(C)c1cc(NC(=O)CS(=O)(=O)[*:1])on1
C[C@@H](c1ccccc1)S(=O)(=O)CC(=O)Nc1cc(C(C)(C)C)no1 c1ccc(cc1)[*:1] C[C@@H](S(=O)(=O)CC(=O)Nc1cc(no1)C(C)(C)C)[*:1]
Cc1cccc(NC(=O)N2CCO[C@H](C(N)=S)C2)c1 NC(=S)[*:1] Cc1cccc(c1)NC(=O)N1CCO[C@H](C1)[*:1]
Cc1cncc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c1 CC(C)C[*:1] Cc1cncc(c1)NC(=O)[C@@H](NC(=O)[*:1])C(C)C
Cc1cncc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c1 Cc1cncc(c1)[*:1] CC(C)CC(=O)N[C@H](C(=O)N[*:1])C(C)C
Cc1cncc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c1 CC(C)CC(=O)N[*:1] Cc1cncc(c1)NC(=O)[C@@H](C(C)C)[*:1]
Cc1cncc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c1 CC(C)[*:1] Cc1cncc(c1)NC(=O)[C@@H](NC(=O)CC(C)C)[*:1]
Cc1cncc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c1 CC(C)[*:1] Cc1cncc(c1)NC(=O)[C@@H](NC(=O)C[*:1])C(C)C
CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OC CCO[*:1] COc1c(Br)cc(/C=C2\SC(=N)NC2=O)cc1[*:1]
CN(NC(=O)C(Cl)=C(Cl)Cl)c1ncccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(NC(=O)C(Cl)=C(Cl)Cl)c1ncccc1[*:1]
CN(NC(=O)C(Cl)=C(Cl)Cl)c1ncccc1[N+](=O)[O-] ClC(Cl)=C(Cl)[*:1] CN(NC(=O)[*:1])c1ncccc1[N+](=O)[O-]
C[C@@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)C[C@@H](C)O1 CN(C)S(=O)(=O)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)NCc1ccc(s1)[*:1]
CCN(CC)C(=O)c1nc(CNC(=O)c2ccco2)oc1C CCN(CC)C(=O)[*:1] Cc1oc(CNC(=O)c2ccco2)nc1[*:1]
CCN(CC)C(=O)c1nc(CNC(=O)c2ccco2)oc1C c1coc(c1)[*:1] CCN(CC)C(=O)c1nc(CNC(=O)[*:1])oc1C
C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NNC(=O)c1ccco1 FC(F)(F)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1[*:1])C(=O)NNC(=O)c1ccco1
C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NNC(=O)c1ccco1 c1coc(c1)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NNC(=O)[*:1]
O=C(NCC[C@@H](O)c1ccccc1)c1cccnc1N1CCCC1 O[C@@H](c1ccccc1)[*:1] O=C(NCC[*:1])c1cccnc1N1CCCC1
O=C(NCC[C@@H](O)c1ccccc1)c1cccnc1N1CCCC1 c1ccc(cc1)[*:1] O=C(NCC[C@@H](O)[*:1])c1cccnc1N1CCCC1
O=C(NCC[C@@H](O)c1ccccc1)c1cccnc1N1CCCC1 C1CCN(C1)[*:1] O=C(NCC[C@@H](O)c1ccccc1)c1cccnc1[*:1]
Cc1ccccc1C[NH+]1CCCN(C(=O)c2csnn2)CC1 c1snnc1[*:1] Cc1ccccc1C[NH+]1CCCN(CC1)C(=O)[*:1]
Cc1ccccc1C[NH+]1CCCN(C(=O)c2csnn2)CC1 Cc1ccccc1[*:1] O=C(c1csnn1)N1CCC[NH+](CC1)C[*:1]
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1cccs1 O=C(NC1CCCCC1)[*:1] Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](c1cccs1)[*:1]
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1cccs1 C1CCC(CC1)[*:1] Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)N[*:1])c1cccs1
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1cccs1 NC(=O)[*:1] Cc1ccccc1N(C(=O)c1snc(c1N)[*:1])[C@@H](C(=O)NC1CCCCC1)c1cccs1
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1cccs1 c1csc(c1)[*:1] Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)[*:1]
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1cccs1 Cc1ccccc1[*:1] NC(=O)c1nsc(C(=O)N([C@@H](C(=O)NC2CCCCC2)c2cccs2)[*:1])c1N
CC(C)CN(CCC(N)=S)C(=O)c1ccc(F)c(F)c1F NC(=S)C[*:1] CC(C)CN(C[*:1])C(=O)c1ccc(F)c(F)c1F
CC(C)CN(CCC(N)=S)C(=O)c1ccc(F)c(F)c1F CC(C)C[*:1] NC(=S)CCN(C(=O)c1ccc(F)c(F)c1F)[*:1]
CC(C)CN(CCC(N)=S)C(=O)c1ccc(F)c(F)c1F NC(=S)[*:1] CC(C)CN(CC[*:1])C(=O)c1ccc(F)c(F)c1F
CC(C)CN(CCC(N)=S)C(=O)c1ccc(F)c(F)c1F CC(C)[*:1] NC(=S)CCN(C[*:1])C(=O)c1ccc(F)c(F)c1F
CC(C)CN(CCC(N)=S)C(=O)c1ccc(F)c(F)c1F NC(=S)CC[*:1] CC(C)CN(C(=O)c1ccc(F)c(F)c1F)[*:1]
O=C1CC2(CCC2)NC(=O)N1C1CCCC1 C1CCC(C1)[*:1] O=C1CC2(CCC2)NC(=O)N1[*:1]
COC(=O)c1ccc(F)c(NC(=O)N2CC[C@H](C)[C@@H](O)C2)c1 COC(=O)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Nc1cc(ccc1F)[*:1]
Cc1cc(C)cc(CN[C@H](C)C(N)=O)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)CN[C@H](C)[*:1]
Cc1cc(C)cc(CN[C@H](C)C(N)=O)c1 C[C@H](C(N)=O)[*:1] Cc1cc(C)cc(c1)CN[*:1]
O=C(Cc1ccc(Cl)cc1)N1CCN(CC(F)(F)F)CC1 Clc1ccc(cc1)[*:1] O=C(C[*:1])N1CCN(CC1)CC(F)(F)F
O=C(Cc1ccc(Cl)cc1)N1CCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] O=C(Cc1ccc(Cl)cc1)N1CCN(CC1)[*:1]
O=C(Cc1ccc(Cl)cc1)N1CCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] O=C(Cc1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
CC[C@@H](Sc1nnc2cc(C)nc(C)n12)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](Sc1nnc2cc(C)nc(C)n12)C(=O)[*:1]
CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1C C[C@H](c1ccccc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@H]1CC(=O)N(C1)[C@H](C)c1ccccc1
CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1C c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)[C@H]1CC(=O)N(C1)[C@H](C)[*:1]
Cc1cncc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)C1CCN(CC1)C(=O)N[*:1]
Cc1cncc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)Nc1ccccc1
COC(=O)c1cc(C)ccc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 COC(=O)[*:1] Cc1ccc(NC(=O)c2sc3nc4CCCCCn4c(=O)c3c2C)c(c1)[*:1]
O=C(NC1CC1)[C@@H]1CCCN(C(=O)C=C2CCCCC2)C1 C(=C1CCCCC1)[*:1] O=C(NC1CC1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(NC1CC1)[C@@H]1CCCN(C(=O)C=C2CCCCC2)C1 C1CC1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)C=C1CCCCC1
O=C(NC1CC1)[C@@H]1CCCN(C(=O)C=C2CCCCC2)C1 O=C(NC1CC1)[*:1] O=C(C=C1CCCCC1)N1CCC[C@H](C1)[*:1]
O=C(Nc1ccc2c3c(c(=O)[nH]c2c1)CCCC3)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2c3CCCCc3c(=O)[nH]c2c1)[*:1]
OCCCNc1ccc(Br)cn1 OCC[*:1] Brc1ccc(nc1)NC[*:1]
OCCCNc1ccc(Br)cn1 OCCC[*:1] Brc1ccc(nc1)N[*:1]
C[C@H](Nc1ncnc(Sc2ccc(Cl)cc2)c1N)c1ccccc1 Clc1ccc(cc1)S[*:1] C[C@H](Nc1ncnc(c1N)[*:1])c1ccccc1
C[C@H](Nc1ncnc(Sc2ccc(Cl)cc2)c1N)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@H](Nc1ncnc(S[*:1])c1N)c1ccccc1
C[C@H](Nc1ncnc(Sc2ccc(Cl)cc2)c1N)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ncnc(Sc2ccc(Cl)cc2)c1N)[*:1]
C[C@H](Nc1ncnc(Sc2ccc(Cl)cc2)c1N)c1ccccc1 C[C@H](c1ccccc1)[*:1] Nc1c(ncnc1Sc1ccc(Cl)cc1)N[*:1]
CC(C)[NH+]1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1 CC(C)[*:1] O=C(Cc1cnn(c1)-c1ccccc1)N1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] CC(C)[NH+]1CCN(CC1)C(=O)Cc1cnn(c1)[*:1]
CC(C)[C@@H](O)CCNC(=O)NCc1nc(-c2ccccc2)cs1 CC(C)[*:1] O=C(NCC[C@H](O)[*:1])NCc1nc(cs1)-c1ccccc1
CC(C)[C@@H](O)CCNC(=O)NCc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] CC(C)[C@@H](O)CCNC(=O)NCc1nc(cs1)[*:1]
CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2 CCC[*:1] O=C(C1CCCC1)N1CCc2nc([nH]c(=O)c2C1)[C@@H]1CCCCN1C(=O)[*:1]
CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2 C1CCC(C1)[*:1] CCCC(=O)N1CCCC[C@H]1c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
COC[C@@H](O)CN(C)C(=O)CC1([NH3+])CCC1 COC[*:1] CN(C[C@H](O)[*:1])C(=O)CC1([NH3+])CCC1
COC[C@@H](O)CN(C)C(=O)CC1([NH3+])CCC1 COC[C@@H](O)[*:1] CN(C[*:1])C(=O)CC1([NH3+])CCC1
CCc1ccc(CNC(=O)CCC(=O)[O-])cc1 O=C([O-])[*:1] CCc1ccc(cc1)CNC(=O)CC[*:1]
CCc1ccc(CNC(=O)CCC(=O)[O-])cc1 O=C([O-])CC[*:1] CCc1ccc(cc1)CNC(=O)[*:1]
CCc1ccc(CNC(=O)CCC(=O)[O-])cc1 O=C([O-])C[*:1] CCc1ccc(cc1)CNC(=O)C[*:1]
O=C(COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1)N1CCCC1 Clc1ccc(cc1)[*:1] O=C(COc1ccccc1-c1noc(n1)[*:1])N1CCCC1
O=C(COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1)N1CCCC1 O=C(CO[*:1])N1CCCC1 Clc1ccc(cc1)-c1nc(no1)-c1ccccc1[*:1]
O=C(COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1)N1CCCC1 O=C(N1CCCC1)[*:1] Clc1ccc(cc1)-c1nc(no1)-c1ccccc1OC[*:1]
O=C(COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1)N1CCCC1 O=C(C[*:1])N1CCCC1 Clc1ccc(cc1)-c1nc(no1)-c1ccccc1O[*:1]
CC(C)[C@H](C(=O)Nc1cccc(F)c1)N1C(=O)c2ccccc2C1=O Fc1cccc(c1)[*:1] CC(C)[C@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CC(C)[C@H](C(=O)Nc1cccc(F)c1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(Nc1cccc(F)c1)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCCCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCCCC[C@@H]1[*:1]
Cc1ccc(-n2nnnc2-c2c[nH]c3cc(Cl)ccc23)cc1 Cc1ccc(cc1)[*:1] Clc1ccc2c(c[nH]c2c1)-c1nnnn1[*:1]
Cc1noc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2C)n1 O=[N+]([O-])[*:1] Cc1noc(n1)[C@@H]1CCCN1C(=O)c1cccc(c1C)[*:1]
Cc1noc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2C)n1 Cc1noc(n1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N1CCC[C@H]1[*:1]
CC(=O)Nc1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1 CC(=O)N[*:1] Fc1cc(F)c2nc(Nc3nc4ccc(cc4s3)[*:1])sc2c1
CC(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1cnn(c1)Cc1ccccc1
CC(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1C c1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1C)NC(=O)c1cnn(c1)[*:1]
CC(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1C c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)c1cnn(c1)C[*:1]
CCOC(=O)[C@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 CCOC(=O)[*:1] CC1(C)C[C@@]2(CCO1)OC(=O)C[C@@H]2[*:1]
Cc1cc(CC(=O)Nc2ccccc2N2CCOC2=O)no1 Cc1cc(no1)[*:1] O=C(C[*:1])Nc1ccccc1N1CCOC1=O
Cc1cc(CC(=O)Nc2ccccc2N2CCOC2=O)no1 O=C1OCCN1[*:1] Cc1cc(CC(=O)Nc2ccccc2[*:1])no1
Cc1cc(CC(=O)Nc2ccccc2N2CCOC2=O)no1 Cc1cc(C[*:1])no1 O=C1OCCN1c1ccccc1NC(=O)[*:1]
C[NH2+][C@@H](c1cc(C)c(F)cc1F)C1(C)CCCC1 CC1(CCCC1)[*:1] C[NH2+][C@@H](c1cc(C)c(F)cc1F)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](C(=O)OCc2ccccc2)C1 CC(C)(C)[*:1] O=C(OCc1ccccc1)[C@H]1CCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CC[C@H](C(=O)OCc2ccccc2)C1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CC[C@H](C(=O)OCc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)OC[*:1]
O=C(CCC(=O)N1CCc2sccc2C1)OC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCC(=O)N1CCc2sccc2C1)O[*:1]
CC(C)(Cn1cccc1C[NH3+])C(=O)[O-] O=C([O-])[*:1] CC(C)(Cn1cccc1C[NH3+])[*:1]
CCCNC(=O)c1cccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 CCCNC(=O)[*:1] O=S1(=O)C[C@H]2S/C(=N/c3cccc(c3)[*:1])N[C@@H]2C1
CCCNC(=O)c1cccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 CCC[*:1] O=C(N[*:1])c1cccc(c1)/N=C1\N[C@@H]2CS(=O)(=O)C[C@H]2S1
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 CC[C@H](C)[*:1] O=C(N[C@@H](C(=O)Nc1ccc(Cl)cc1)[*:1])c1ccccc1
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@@H](NC(=O)[*:1])C(=O)Nc1ccc(Cl)cc1
CNC(=O)COc1cccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)c1 CNC(=O)C[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(c1)O[*:1]
CNC(=O)COc1cccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)c1 CNC(=O)CO[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
CNC(=O)COc1cccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)c1 CNC(=O)[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(c1)OC[*:1]
CC(C)(CNC(=O)Nc1cccc(OCC(F)(F)F)c1)C(N)=O CC(C)(C[*:1])C(N)=O O=C(Nc1cccc(c1)OCC(F)(F)F)N[*:1]
CC(C)(CNC(=O)Nc1cccc(OCC(F)(F)F)c1)C(N)=O NC(=O)[*:1] CC(C)(CNC(=O)Nc1cccc(c1)OCC(F)(F)F)[*:1]
CC(C)(CNC(=O)Nc1cccc(OCC(F)(F)F)c1)C(N)=O FC(F)(F)[*:1] CC(C)(CNC(=O)Nc1cccc(c1)OC[*:1])C(N)=O
CC(C)(CNC(=O)Nc1cccc(OCC(F)(F)F)c1)C(N)=O CC(C)(C(N)=O)[*:1] O=C(NC[*:1])Nc1cccc(c1)OCC(F)(F)F
CC(C)(CNC(=O)Nc1cccc(OCC(F)(F)F)c1)C(N)=O FC(F)(F)C[*:1] CC(C)(CNC(=O)Nc1cccc(c1)O[*:1])C(N)=O
CC(C)(CNC(=O)Nc1cccc(OCC(F)(F)F)c1)C(N)=O FC(F)(F)CO[*:1] CC(C)(CNC(=O)Nc1cccc(c1)[*:1])C(N)=O
COc1ccc(OC)c2c1CN(Cc1ccccn1)C[C@@H]2O c1ccc(nc1)[*:1] COc1ccc(OC)c2c1CN(C[C@@H]2O)C[*:1]
COc1ccc(OC)c2c1CN(Cc1ccccn1)C[C@@H]2O c1ccc(C[*:1])nc1 COc1ccc(OC)c2c1CN(C[C@@H]2O)[*:1]
Cc1ccc(CC(=O)Oc2ccc3nccnc3c2)s1 Cc1ccc(s1)[*:1] O=C(C[*:1])Oc1ccc2nccnc2c1
CC(C)(CNC(=O)c1cccc(N2CCOC2=O)c1)c1cccs1 c1csc(c1)[*:1] CC(C)(CNC(=O)c1cccc(c1)N1CCOC1=O)[*:1]
CC(C)(CNC(=O)c1cccc(N2CCOC2=O)c1)c1cccs1 O=C1OCCN1[*:1] CC(C)(CNC(=O)c1cccc(c1)[*:1])c1cccs1
CC(C)(CNC(=O)c1cccc(N2CCOC2=O)c1)c1cccs1 CC(C)(c1cccs1)[*:1] O=C(NC[*:1])c1cccc(c1)N1CCOC1=O
O=C(NC[C@H]1CC[C@@H](C(=O)[O-])O1)c1cccn1C1CC1 C1CC1[*:1] O=C(NC[C@H]1CC[C@H](O1)C(=O)[O-])c1cccn1[*:1]
O=C(NC[C@H]1CC[C@@H](C(=O)[O-])O1)c1cccn1C1CC1 O=C([O-])[*:1] O=C(NC[C@H]1CC[C@@H](O1)[*:1])c1cccn1C1CC1
Cc1cc(O)cc(-c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1 CC(C)(C)[*:1] Cc1cc(O)cc(c1)-c1cccc(c1)S(=O)(=O)N[*:1]
O=C(Nc1ccc(Cl)cc1Cl)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(Cl)cc1Cl)[*:1]
NC(=O)[C@H]1CCN(C(=O)C[C@@H]2CCCc3ccccc32)c2ccccc21 NC(=O)[*:1] O=C(C[C@@H]1CCCc2ccccc21)N1CC[C@@H](c2ccccc21)[*:1]
CCc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(F)cc2)C(C)C)n1CC Fc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)[*:1])C(C)C)n1CC
CCc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(F)cc2)C(C)C)n1CC CCc1ccccc1NC(=O)[*:1] CCn1c(nnc1[C@H](NC(=O)c1ccc(F)cc1)C(C)C)SC[*:1]
CCc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(F)cc2)C(C)C)n1CC CC(C)[*:1] CCc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(F)cc2)[*:1])n1CC
CCc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(F)cc2)C(C)C)n1CC CCc1ccccc1[*:1] CCn1c(nnc1[C@H](NC(=O)c1ccc(F)cc1)C(C)C)SCC(=O)N[*:1]
CCc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(F)cc2)C(C)C)n1CC O=C(N[*:1])c1ccc(F)cc1 CCc1ccccc1NC(=O)CSc1nnc([C@H](C(C)C)[*:1])n1CC
C[NH2+]Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[NH2+]Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[*:1]
O=C(OC1CCN(CC(F)(F)F)CC1)c1cccc(F)c1F FC(F)(F)[*:1] O=C(OC1CCN(CC1)C[*:1])c1cccc(F)c1F
O=C(OC1CCN(CC(F)(F)F)CC1)c1cccc(F)c1F FC(F)(F)C[*:1] O=C(OC1CCN(CC1)[*:1])c1cccc(F)c1F
Cc1ccc(NC(=O)c2sc3ncn(Cc4cccc(F)c4)c(=O)c3c2C)cc1F Cc1ccc(cc1F)[*:1] Cc1c(sc2ncn(Cc3cccc(F)c3)c(=O)c12)C(=O)N[*:1]
Cc1ccc(NC(=O)c2sc3ncn(Cc4cccc(F)c4)c(=O)c3c2C)cc1F Fc1cccc(c1)[*:1] Cc1ccc(cc1F)NC(=O)c1sc2ncn(C[*:1])c(=O)c2c1C
Cc1ccc(NC(=O)c2sc3ncn(Cc4cccc(F)c4)c(=O)c3c2C)cc1F Fc1cccc(c1)C[*:1] Cc1ccc(cc1F)NC(=O)c1sc2ncn(c(=O)c2c1C)[*:1]
C[C@@H]1CC[C@@H]([NH+]2CCN(C[C@@H]3CCOC3)CC2)C1 C1C[C@H](CO1)C[*:1] C[C@@H]1CC[C@H](C1)[NH+]1CCN(CC1)[*:1]
C[C@@H]1CC[C@@H]([NH+]2CCN(C[C@@H]3CCOC3)CC2)C1 C1C[C@H](CO1)[*:1] C[C@@H]1CC[C@H](C1)[NH+]1CCN(CC1)C[*:1]
C[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)Oc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](CNC(=O)N1CCC(CC1)[NH+]1CCCC1)O[*:1]
C[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)Oc1ccccc1Cl Clc1ccccc1O[*:1] C[C@@H](CNC(=O)N1CCC(CC1)[NH+]1CCCC1)[*:1]
CC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1CCCS(C)(=O)=O CS(=O)(=O)CC[*:1] CC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1C[*:1]
CC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1CCCS(C)(=O)=O CS(=O)(=O)C[*:1] CC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1CC[*:1]
CC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1CCCS(C)(=O)=O CS(=O)(=O)[*:1] CC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1CCC[*:1]
Cc1ccccc1CCNC(=O)c1[nH]nc(C2CC2)c1N C1CC1[*:1] Cc1ccccc1CCNC(=O)c1[nH]nc(c1N)[*:1]
Cc1ccccc1CCNC(=O)c1[nH]nc(C2CC2)c1N Cc1ccccc1[*:1] Nc1c(n[nH]c1C(=O)NCC[*:1])C1CC1
Fc1cccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)c1 C1CCC(C1)[*:1] Fc1cccc(c1)-c1nc(no1)-c1ccc2c(c1)nnn2[*:1]
Fc1cccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)c1 Fc1cccc(c1)[*:1] c1cc2c(cc1-c1noc(n1)[*:1])nnn2C1CCCC1
COc1ccccc1/C=N/NC(=O)COc1cccc(C(C)C)c1 COc1ccccc1[*:1] CC(C)c1cccc(c1)OCC(=O)NN=C[*:1]
COc1ccccc1/C=N/NC(=O)COc1cccc(C(C)C)c1 CC(C)[*:1] COc1ccccc1/C=N/NC(=O)COc1cccc(c1)[*:1]
CCOCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1 CCOC[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1F)C(F)(F)F
CCOCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1 FC(F)(F)[*:1] CCOCc1ccc(cc1)NC(=O)c1cccc(c1F)[*:1]
CCOCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1 CCO[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cccc(c1F)C(F)(F)F
CC[C@@H](CNC(C)=C1C(=O)NC(=S)NC1=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(C)=C1C(=O)NC(=S)NC1=O)[*:1]
CC[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)COC2)Oc1ccccc1C c1cc2COCc2cc1[*:1] CC[C@H](CNC(=O)C(=O)N[*:1])Oc1ccccc1C
CC[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)COC2)Oc1ccccc1C Cc1ccccc1[*:1] CC[C@H](CNC(=O)C(=O)Nc1ccc2COCc2c1)O[*:1]
CC[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)COC2)Oc1ccccc1C Cc1ccccc1O[*:1] CC[C@H](CNC(=O)C(=O)Nc1ccc2COCc2c1)[*:1]
COc1ccc(C)c2sc(NS(=O)(=O)c3ccc(C)cc3)nc12 Cc1ccc(cc1)[*:1] COc1ccc(C)c2sc(nc12)NS(=O)(=O)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c1 CC(=O)[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(c1)[*:1]
CC(C)OCCS(=O)(=O)NC1CCC(Cl)CC1 CC(C)[*:1] O=S(=O)(CCO[*:1])NC1CCC(Cl)CC1
CC(C)OCCS(=O)(=O)NC1CCC(Cl)CC1 CC(C)OC[*:1] O=S(=O)(C[*:1])NC1CCC(Cl)CC1
CC(C)OCCS(=O)(=O)NC1CCC(Cl)CC1 CC(C)O[*:1] O=S(=O)(CC[*:1])NC1CCC(Cl)CC1
O=C(NCCC[NH+]1CCCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 c1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCCC1)c1cccc(c1)[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(NC1CC1)c1cccc(NCc2ccc(Cl)o2)c1 C1CC1[*:1] O=C(N[*:1])c1cccc(c1)NCc1ccc(Cl)o1
O=C(NC1CC1)c1cccc(NCc2ccc(Cl)o2)c1 Clc1ccc(o1)[*:1] O=C(NC1CC1)c1cccc(c1)NC[*:1]
O=C(NC1CC1)c1cccc(NCc2ccc(Cl)o2)c1 O=C(NC1CC1)[*:1] Clc1ccc(CNc2cccc(c2)[*:1])o1
O=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)c1c(F)cccc1F c1csc(c1)[*:1] O=C(NCCN1C(=O)SC(=C[*:1])C1=O)c1c(F)cccc1F
O=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C1S/C(=C\c2cccs2)C(=O)N1CCNC(=O)[*:1]
COc1ccccc1[C@H]1SCC(=O)N1c1ccc(C(C)C)cc1 CC(C)[*:1] COc1ccccc1[C@H]1SCC(=O)N1c1ccc(cc1)[*:1]
CC1CCN(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CC1 N#Cc1ccnc(c1)[*:1] CC1CCN(CC1)C(=O)CN1CCN(CC1)[*:1]
C=CCOc1cc(C(=O)NCc2cnn(C)c2C)cc2occc12 Cc1c(cnn1C)[*:1] C=CCOc1cc(cc2occc12)C(=O)NC[*:1]
C=CCOc1cc(C(=O)NCc2cnn(C)c2C)cc2occc12 C=CCO[*:1] Cc1c(cnn1C)CNC(=O)c1cc(c2ccoc2c1)[*:1]
C=CCOc1cc(C(=O)NCc2cnn(C)c2C)cc2occc12 C=CC[*:1] Cc1c(cnn1C)CNC(=O)c1cc(O[*:1])c2ccoc2c1
C=CCOc1cc(C(=O)NCc2cnn(C)c2C)cc2occc12 Cc1c(cnn1C)C[*:1] C=CCOc1cc(cc2occc12)C(=O)N[*:1]
CCc1nn(C)cc1CNC(=O)Nc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CCc1nn(C)cc1CNC(=O)Nc1ccc(cc1)[*:1]
CCc1nn(C)cc1CNC(=O)Nc1ccc(-n2cccn2)cc1 CCc1nn(C)cc1[*:1] O=C(NC[*:1])Nc1ccc(cc1)-n1cccn1
COc1cccc(NC(=O)NCc2cn[nH]c2N)c1 Nc1[nH]ncc1[*:1] COc1cccc(c1)NC(=O)NC[*:1]
Cc1nc([N+](=O)[O-])cn1CC(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] Cc1nc(cn1CC(=O)c1ccc(cc1)O[*:1])[N+](=O)[O-]
Cc1nc([N+](=O)[O-])cn1CC(=O)c1ccc(OC(F)(F)F)cc1 O=[N+]([O-])[*:1] Cc1nc(cn1CC(=O)c1ccc(cc1)OC(F)(F)F)[*:1]
Cc1nc([N+](=O)[O-])cn1CC(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] Cc1nc(cn1CC(=O)c1ccc(cc1)[*:1])[N+](=O)[O-]
CS(=O)(=O)c1ccc(CCN[C@H](c2ccc(F)cc2)C2CCCC2)cc1 CS(=O)(=O)[*:1] Fc1ccc(cc1)[C@@H](NCCc1ccc(cc1)[*:1])C1CCCC1
CS(=O)(=O)c1ccc(CCN[C@H](c2ccc(F)cc2)C2CCCC2)cc1 C1CCC(C1)[*:1] CS(=O)(=O)c1ccc(cc1)CCN[C@H](c1ccc(F)cc1)[*:1]
CS(=O)(=O)c1ccc(CCN[C@H](c2ccc(F)cc2)C2CCCC2)cc1 Fc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)CCN[C@H](C1CCCC1)[*:1]
NC(=O)c1cccc([C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c1 NC(=O)[*:1] OC[C@@H]1O[C@@H](c2cccc(c2)[*:1])[C@H](O)[C@H]1O
CC(C)(C)[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-] CC(C)(C)[*:1] N#CCc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
CC(C)(C)[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-] O=C([O-])[*:1] CC(C)(C)[C@H](NS(=O)(=O)c1ccc(cc1)CC#N)[*:1]
CC(C)(C)[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-] N#CC[*:1] CC(C)(C)[C@H](NS(=O)(=O)c1ccc(cc1)[*:1])C(=O)[O-]
CCC[C@H]1CN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CCO1 c1ccc(cc1)C[*:1] CCC[C@H]1CN(CCO1)C(=O)C[C@@H]1CN(CCO1)[*:1]
CCC[C@H]1CN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CCO1 CCC[*:1] O=C(C[C@@H]1CN(CCO1)Cc1ccccc1)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CCO1 c1ccc(cc1)[*:1] CCC[C@H]1CN(CCO1)C(=O)C[C@@H]1CN(CCO1)C[*:1]
COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 COc1cc(ccc1[*:1])N1CCn2c(C1)nc1cc(Cl)ccc12
COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)c1ccco1 c1coc(c1)[*:1] COc1cc(ccc1NC(=O)[*:1])N1CCn2c(C1)nc1cc(Cl)ccc12
CSCCCNC(=O)c1cc(S(N)(=O)=O)oc1C CSCCC[*:1] Cc1oc(cc1C(=O)N[*:1])S(N)(=O)=O
CSCCCNC(=O)c1cc(S(N)(=O)=O)oc1C CSC[*:1] Cc1oc(cc1C(=O)NCC[*:1])S(N)(=O)=O
CSCCCNC(=O)c1cc(S(N)(=O)=O)oc1C NS(=O)(=O)[*:1] CSCCCNC(=O)c1cc(oc1C)[*:1]
CSCCCNC(=O)c1cc(S(N)(=O)=O)oc1C CSCC[*:1] Cc1oc(cc1C(=O)NC[*:1])S(N)(=O)=O
COC(=O)c1ccc(Oc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1 COC(=O)[*:1] Nc1c(ncnc1Oc1ccc(cc1)[*:1])Nc1ccc(Cl)cc1
COC(=O)c1ccc(Oc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1 Clc1ccc(cc1)N[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(c1N)[*:1]
COC(=O)c1ccc(Oc2ncnc(Nc3ccc(Cl)cc3)c2N)cc1 Clc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(N[*:1])c1N
O=C(NCCO)c1ccc2c(c1)OCCOCCOCCO2 OCC[*:1] O=C(N[*:1])c1ccc2OCCOCCOCCOc2c1
O=C(NCCO)c1ccc2c(c1)OCCOCCOCCO2 O=C(NCCO)[*:1] c1cc2OCCOCCOCCOc2cc1[*:1]
O[C@@H](COc1ccccc1)CSc1nc2ccccc2o1 c1ccc(cc1)[*:1] O[C@@H](CO[*:1])CSc1nc2ccccc2o1
O[C@@H](COc1ccccc1)CSc1nc2ccccc2o1 c1ccc(cc1)O[*:1] O[C@H](CSc1nc2ccccc2o1)C[*:1]
O=c1cc(-c2ccccc2)[nH]n1-c1ccc(Br)cc1 c1ccc(cc1)[*:1] O=c1cc([nH]n1-c1ccc(Br)cc1)[*:1]
COc1ccccc1[C@H](NC(=O)N1CCC(C)CC1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)N1CCC(C)CC1)[*:1]
COc1ccccc1[C@H](NC(=O)N1CCC(C)CC1)c1ccccn1 COc1ccccc1[*:1] CC1CCN(CC1)C(=O)N[C@H](c1ccccn1)[*:1]
CCNc1nc(-c2ccc([N+](=O)[O-])o2)n[nH]1 O=[N+]([O-])[*:1] CCNc1nc(n[nH]1)-c1ccc(o1)[*:1]
CCNc1nc(-c2ccc([N+](=O)[O-])o2)n[nH]1 CCN[*:1] O=[N+]([O-])c1ccc(o1)-c1n[nH]c(n1)[*:1]
NC(=O)C1=CN(CCc2ccccc2)c2ccccc2[C@H]1S(=O)(=O)[O-] NC(=O)[*:1] O=S(=O)([O-])[C@H]1C(=CN(CCc2ccccc2)c2ccccc21)[*:1]
NC(=O)C1=CN(CCc2ccccc2)c2ccccc2[C@H]1S(=O)(=O)[O-] c1ccc(cc1)[*:1] NC(=O)C1=CN(CC[*:1])c2ccccc2[C@H]1S(=O)(=O)[O-]
NC(=O)C1=CN(CCc2ccccc2)c2ccccc2[C@H]1S(=O)(=O)[O-] c1ccc(cc1)C[*:1] NC(=O)C1=CN(C[*:1])c2ccccc2[C@H]1S(=O)(=O)[O-]
NC(=O)C1=CN(CCc2ccccc2)c2ccccc2[C@H]1S(=O)(=O)[O-] c1ccc(cc1)CC[*:1] NC(=O)C1=CN(c2ccccc2[C@H]1S(=O)(=O)[O-])[*:1]
COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(N(C)C)s3)C2)cc1OC CN(C)[*:1] COc1ccc(cc1OC)C(=O)[C@@H]1CCCN(Cc2cnc(s2)[*:1])C1
COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(N(C)C)s3)C2)cc1OC CN(C)c1ncc(s1)[*:1] COc1ccc(cc1OC)C(=O)[C@@H]1CCCN(C1)C[*:1]
COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(N(C)C)s3)C2)cc1OC CN(C)c1ncc(C[*:1])s1 COc1ccc(cc1OC)C(=O)[C@@H]1CCCN(C1)[*:1]
CCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)N3CCNC(=O)CC3)c21 O=C1CCN(CCN1)C(=O)[*:1] CCn1c(nc2cc(cc(c21)[*:1])NC(C)=O)-c1ccccc1F
CCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)N3CCNC(=O)CC3)c21 CC(=O)N[*:1] CCn1c(nc2cc(cc(C(=O)N3CCNC(=O)CC3)c21)[*:1])-c1ccccc1F
CCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)N3CCNC(=O)CC3)c21 Fc1ccccc1[*:1] CCn1c(nc2cc(cc(C(=O)N3CCNC(=O)CC3)c21)NC(C)=O)[*:1]
O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1 c1cncc(c1)C[*:1] O=[N+]([O-])c1ccc(cc1)CN1CC[NH+](CC1)[*:1]
O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1 c1cncc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)CN1CC[NH+](CC1)C[*:1]
O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1 O=[N+]([O-])[*:1] c1cncc(c1)C[NH+]1CCN(CC1)Cc1ccc(cc1)[*:1]
Cc1ccc([C@@H](C)N[C@@H](c2nc(C3CC3)no2)C(C)C)o1 C1CC1[*:1] Cc1ccc(o1)[C@@H](C)N[C@@H](c1nc(no1)[*:1])C(C)C
Cc1ccc([C@@H](C)N[C@@H](c2nc(C3CC3)no2)C(C)C)o1 CC(C)[*:1] Cc1ccc(o1)[C@@H](C)N[C@@H](c1nc(no1)C1CC1)[*:1]
Cc1ccc([C@@H](C)N[C@@H](c2nc(C3CC3)no2)C(C)C)o1 Cc1ccc(o1)[*:1] CC(C)[C@@H](N[C@H](C)[*:1])c1nc(no1)C1CC1
CC(C)Oc1cccc(C(=O)Nc2nn(C)cc2C#N)n1 CC(C)[*:1] Cn1cc(C#N)c(n1)NC(=O)c1cccc(n1)O[*:1]
CC(C)Oc1cccc(C(=O)Nc2nn(C)cc2C#N)n1 CC(C)O[*:1] Cn1cc(C#N)c(n1)NC(=O)c1cccc(n1)[*:1]
CC(C)[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1nc(C2CC2)no1 C1CCC(CC1)[*:1] CC(C)[C@H](NC(=O)N[C@@](C)(CO)[*:1])c1nc(no1)C1CC1
CC(C)[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1nc(no1)[*:1]
CC(C)[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1nc(C2CC2)no1 CC(C)[*:1] C[C@@](CO)(NC(=O)N[C@H](c1nc(no1)C1CC1)[*:1])C1CCCCC1
CC(C)[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)[*:1]
COc1ccc(C)cc1[C@H](C)NCc1cnc(-c2cccs2)s1 c1csc(c1)[*:1] COc1ccc(C)cc1[C@H](C)NCc1cnc(s1)[*:1]
CCOC(=O)N[C@H](C(=O)Nc1ccc(-n2ccnc2)cc1)C(C)C c1cn(cn1)[*:1] CCOC(=O)N[C@H](C(=O)Nc1ccc(cc1)[*:1])C(C)C
CCOC(=O)N[C@H](C(=O)Nc1ccc(-n2ccnc2)cc1)C(C)C CCOC(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1ccc(cc1)-n1ccnc1)[*:1]
CCOC(=O)N[C@H](C(=O)Nc1ccc(-n2ccnc2)cc1)C(C)C CC(C)[*:1] CCOC(=O)N[C@H](C(=O)Nc1ccc(cc1)-n1ccnc1)[*:1]
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 O=[N+]([O-])[*:1] COc1ccc(cc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1)[*:1]
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] COc1ccc(cc1/C=C(\C#N)C(=O)N[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1/C=C(\C#N)C(=O)NC[*:1])[N+](=O)[O-]
COC(=O)[C@@H](C)CC(=O)Oc1ccc2nccnc2c1 COC(=O)[C@@H](C)[*:1] O=C(C[*:1])Oc1ccc2nccnc2c1
COC(=O)[C@@H](C)CC(=O)Oc1ccc2nccnc2c1 COC(=O)[*:1] C[C@@H](CC(=O)Oc1ccc2nccnc2c1)[*:1]
C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)[C@H](C)C1 c1csc(n1)[*:1] C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(cc2)[*:1])[C@H](C)C1
COc1ccc(-c2csc(NC(=O)Cc3ccc(SC)cc3)n2)c(OC)c1 CSc1ccc(cc1)C[*:1] COc1ccc(-c2csc(n2)NC(=O)[*:1])c(c1)OC
COc1ccc(-c2csc(NC(=O)Cc3ccc(SC)cc3)n2)c(OC)c1 CSc1ccc(cc1)[*:1] COc1ccc(-c2csc(n2)NC(=O)C[*:1])c(c1)OC
Cn1c(Cl)cnc1CS(=O)(=O)CCC(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1c(Cl)cnc1CS(=O)(=O)CCC(=O)N[*:1]
Cn1c(Cl)cnc1CS(=O)(=O)CCC(=O)Nc1cccc(F)c1 Cn1c(Cl)cnc1[*:1] O=C(CCS(=O)(=O)C[*:1])Nc1cccc(F)c1
COc1ccc(Cl)cc1C(=O)Nc1cccc([C@@H](C)O)c1 C[C@@H](O)[*:1] COc1ccc(Cl)cc1C(=O)Nc1cccc(c1)[*:1]
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)[C@H](C)Oc1ccccc1)CC2 C[C@H](Oc1ccccc1)[*:1] COc1cc2CCN(C(=O)[*:1])[C@@H](c3ccccc3)c2cc1OC
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)[C@H](C)Oc1ccccc1)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(C(=O)[C@H](C)Oc3ccccc3)[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)[C@H](C)Oc1ccccc1)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(C(=O)[C@H](C)O[*:1])[C@@H](c3ccccc3)c2cc1OC
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)[C@H](C)Oc1ccccc1)CC2 c1ccc(cc1)O[*:1] COc1cc2CCN(C(=O)[C@H](C)[*:1])[C@@H](c3ccccc3)c2cc1OC
Cc1cc(S(=O)(=O)NCCC2CCC2)sc1C C1CC(C1)C[*:1] Cc1cc(sc1C)S(=O)(=O)NC[*:1]
Cc1cc(S(=O)(=O)NCCC2CCC2)sc1C C1CC(C1)[*:1] Cc1cc(sc1C)S(=O)(=O)NCC[*:1]
C[C@@H](C(=O)NCc1cccs1)n1cc(-c2nc(-c3cnccn3)no2)ccc1=O c1csc(c1)[*:1] C[C@@H](C(=O)NC[*:1])n1cc(ccc1=O)-c1nc(no1)-c1cnccn1
C[C@@H](C(=O)NCc1cccs1)n1cc(-c2nc(-c3cnccn3)no2)ccc1=O c1cnc(cn1)[*:1] C[C@@H](C(=O)NCc1cccs1)n1cc(ccc1=O)-c1nc(no1)[*:1]
C[C@@H](C(=O)NCc1cccs1)n1cc(-c2nc(-c3cnccn3)no2)ccc1=O c1csc(c1)C[*:1] C[C@@H](C(=O)N[*:1])n1cc(ccc1=O)-c1nc(no1)-c1cnccn1
C[C@@H](C(=O)NCc1cccs1)n1cc(-c2nc(-c3cnccn3)no2)ccc1=O O=C(NCc1cccs1)[*:1] C[C@@H](n1cc(ccc1=O)-c1nc(no1)-c1cnccn1)[*:1]
O=C[C@H](O)[C@@H](O)[C@H]1O[C@H](c2ccccc2)OC[C@H]1O c1ccc(cc1)[*:1] O=C[C@H](O)[C@@H](O)[C@H]1O[C@H](OC[C@H]1O)[*:1]
O=C[C@H](O)[C@@H](O)[C@H]1O[C@H](c2ccccc2)OC[C@H]1O O=C[C@H](O)[*:1] O[C@@H]1CO[C@H](O[C@@H]1[C@H](O)[*:1])c1ccccc1
COc1cccc(C(=O)Cl)c1OCc1cccc(Cl)c1 O=C(Cl)[*:1] COc1cccc(c1OCc1cccc(Cl)c1)[*:1]
CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1csc(C)c1 Cc1cc(cs1)[*:1] CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@@H](CN2C(=O)[*:1])c1ccccc1
CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1csc(C)c1 c1ccc(cc1)[*:1] CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](CN2C(=O)c1csc(C)c1)[*:1]
CC[C@@H](C)CN(CC)c1cnc(C(=O)[O-])cn1 CC[C@@H](C)C[*:1] CCN(c1cnc(cn1)C(=O)[O-])[*:1]
CC[C@@H](C)CN(CC)c1cnc(C(=O)[O-])cn1 O=C([O-])[*:1] CC[C@@H](C)CN(CC)c1cnc(cn1)[*:1]
CC[C@@H](C)CN(CC)c1cnc(C(=O)[O-])cn1 CC[C@@H](C)[*:1] CCN(C[*:1])c1cnc(cn1)C(=O)[O-]
CC(=O)N[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C CC(=O)N[*:1] CC(C)[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[*:1]
CC(=O)N[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C c1ccc(cc1)[*:1] CC(=O)N[C@H](C(=O)NC[C@@H]([NH+](C)C)[*:1])C(C)C
CC(=O)N[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[*:1]
O=C(NCCc1ccsc1)c1cc(-c2ccccc2)on1 c1cc(cs1)CC[*:1] O=C(N[*:1])c1cc(on1)-c1ccccc1
O=C(NCCc1ccsc1)c1cc(-c2ccccc2)on1 c1cc(cs1)C[*:1] O=C(NC[*:1])c1cc(on1)-c1ccccc1
O=C(NCCc1ccsc1)c1cc(-c2ccccc2)on1 c1cc(cs1)[*:1] O=C(NCC[*:1])c1cc(on1)-c1ccccc1
O=C(NCCc1ccsc1)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(NCCc1ccsc1)c1cc(on1)[*:1]
CN(C)c1cc(CNC(=O)C(C)(C)c2ccccc2)cc[nH+]1 c1ccc(cc1)[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)C(C)(C)[*:1]
CN(C)c1cc(CNC(=O)C(C)(C)c2ccccc2)cc[nH+]1 CN(C)[*:1] CC(C)(C(=O)NCc1cc[nH+]c(c1)[*:1])c1ccccc1
O=C1NC(=O)C2(CCN(C(=O)c3ccc(OCC(F)(F)F)nc3)CC2)N1 FC(F)(F)CO[*:1] O=C1NC(=O)C2(CCN(CC2)C(=O)c2ccc(nc2)[*:1])N1
O=C1NC(=O)C2(CCN(C(=O)c3ccc(OCC(F)(F)F)nc3)CC2)N1 FC(F)(F)[*:1] O=C1NC(=O)C2(CCN(CC2)C(=O)c2ccc(nc2)OC[*:1])N1
O=C1NC(=O)C2(CCN(C(=O)c3ccc(OCC(F)(F)F)nc3)CC2)N1 FC(F)(F)C[*:1] O=C1NC(=O)C2(CCN(CC2)C(=O)c2ccc(nc2)O[*:1])N1
COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCc3occc32)s1 COC[*:1] Cc1nc(C[*:1])sc1[C@@H](C)[NH2+][C@@H]1CCCc2occc21
COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCc3occc32)s1 COCC[*:1] Cc1nc(sc1[C@@H](C)[NH2+][C@@H]1CCCc2occc21)[*:1]
O=c1[nH]c(-c2cccnc2)nc2c1C[NH+](Cc1ccc(F)cc1)CC2 c1cncc(c1)[*:1] O=c1[nH]c(nc2CC[NH+](Cc3ccc(F)cc3)Cc21)[*:1]
O=c1[nH]c(-c2cccnc2)nc2c1C[NH+](Cc1ccc(F)cc1)CC2 Fc1ccc(cc1)C[*:1] O=c1[nH]c(nc2CC[NH+](Cc21)[*:1])-c1cccnc1
O=c1[nH]c(-c2cccnc2)nc2c1C[NH+](Cc1ccc(F)cc1)CC2 Fc1ccc(cc1)[*:1] O=c1[nH]c(nc2CC[NH+](Cc21)C[*:1])-c1cccnc1
CC(C)CS(=O)(=O)NCC1(O)CCOCC1 CC(C)[*:1] O=S(=O)(C[*:1])NCC1(O)CCOCC1
CC(C)CS(=O)(=O)NCC1(O)CCOCC1 CC(C)C[*:1] O=S(=O)(NCC1(O)CCOCC1)[*:1]
C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[*:1]
COc1ccc(C)cc1-n1ccc(C(=O)N(C)c2c(C)noc2C)n1 Cc1noc(C)c1[*:1] COc1ccc(C)cc1-n1ccc(n1)C(=O)N(C)[*:1]
CNc1cc(C[C@H](NC(=O)C(C)C)c2cccc(C)c2)nc(C2CC2)n1 CC(C)[*:1] CNc1cc(C[C@H](NC(=O)[*:1])c2cccc(C)c2)nc(n1)C1CC1
CNc1cc(C[C@H](NC(=O)C(C)C)c2cccc(C)c2)nc(C2CC2)n1 Cc1cccc(c1)[*:1] CNc1cc(C[C@H](NC(=O)C(C)C)[*:1])nc(n1)C1CC1
CNc1cc(C[C@H](NC(=O)C(C)C)c2cccc(C)c2)nc(C2CC2)n1 CC(C)C(=O)N[*:1] CNc1cc(C[C@H](c2cccc(C)c2)[*:1])nc(n1)C1CC1
CNc1cc(C[C@H](NC(=O)C(C)C)c2cccc(C)c2)nc(C2CC2)n1 C1CC1[*:1] CNc1cc(C[C@H](NC(=O)C(C)C)c2cccc(C)c2)nc(n1)[*:1]
O=C(CN1CC[NH+](C2CCCC2)CC1)NCCC1CCCCC1 C1CCC(CC1)C[*:1] O=C(CN1CC[NH+](CC1)C1CCCC1)NC[*:1]
O=C(CN1CC[NH+](C2CCCC2)CC1)NCCC1CCCCC1 C1CCC(C1)[*:1] O=C(CN1CC[NH+](CC1)[*:1])NCCC1CCCCC1
O=C(CN1CC[NH+](C2CCCC2)CC1)NCCC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN1CC[NH+](CC1)C1CCCC1)NCC[*:1]
O=C1COc2ccccc2N1CCc1nc(C2CC2)n[nH]1 C1CC1[*:1] O=C1COc2ccccc2N1CCc1nc(n[nH]1)[*:1]
Cc1cc(C)cc(C[S@@](=O)CC(=O)c2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] Cc1cc(C)cc(c1)C[S@@](=O)CC(=O)[*:1]
COc1cc(Cl)c(O)cc1NC(=O)c1cc(=O)oc2cc(OC(C)C)ccc12 CC(C)O[*:1] COc1cc(Cl)c(O)cc1NC(=O)c1cc(=O)oc2cc(ccc12)[*:1]
COc1cc(Cl)c(O)cc1NC(=O)c1cc(=O)oc2cc(OC(C)C)ccc12 CC(C)[*:1] COc1cc(Cl)c(O)cc1NC(=O)c1cc(=O)oc2cc(ccc12)O[*:1]
COc1cc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc(OC)c1OC Brc1ccc(cc1)[*:1] COc1cc(/C=c2/sc3nc(nn3c2=O)[*:1])cc(OC)c1OC
CC(C)CN1C(N)=[NH+]C[C@@]1(C)c1ccc(O)cc1 CC(C)C[*:1] C[C@]1(C[NH+]=C(N)N1[*:1])c1ccc(O)cc1
CC(C)CN1C(N)=[NH+]C[C@@]1(C)c1ccc(O)cc1 CC(C)[*:1] C[C@]1(C[NH+]=C(N)N1C[*:1])c1ccc(O)cc1
O=C(NCCN1C(=O)CCC1=O)N[C@H]1CCN(CC(F)(F)F)C1 O=C1CCC(=O)N1[*:1] O=C(NCC[*:1])N[C@H]1CCN(C1)CC(F)(F)F
O=C(NCCN1C(=O)CCC1=O)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(NCCN1C(=O)CCC1=O)N[C@H]1CCN(C1)[*:1]
O=C(NCCN1C(=O)CCC1=O)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCCN1C(=O)CCC1=O)N[C@H]1CCN(C1)C[*:1]
CC(C)[C@@H](C)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)[C@@H](C)[NH2+][C@@H]1CCCN(C[*:1])C1=O
CC(C)[C@@H](C)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O CC(C)[*:1] C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cc3Cl)n2)cc1 Cc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)-c1noc(CCC(=O)N[*:1])n1
COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cc3Cl)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CCc2nc(no2)[*:1])c(Cl)c1
O=[N+]([O-])c1ccc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 O=[N+]([O-])[*:1] Fc1ccc(cc1)N1CCN(CC1)C(=S)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)C(=S)N1CCN(CC1)[*:1]
Nc1c(N(C(=O)/C=C/c2ccc3c(c2)OCO3)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 c1cc2OCOc2cc1[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(C(=O)C=C[*:1])C1CCCC1
Nc1c(N(C(=O)/C=C/c2ccc3c(c2)OCO3)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 C1CCC(C1)[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(C(=O)/C=C/c1ccc2OCOc2c1)[*:1]
Nc1c(N(C(=O)/C=C/c2ccc3c(c2)OCO3)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Nc1c(c(=O)[nH]c(=O)n1[*:1])N(C(=O)/C=C/c1ccc2OCOc2c1)C1CCCC1
Nc1c(N(C(=O)/C=C/c2ccc3c(c2)OCO3)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 C(=C[*:1])c1ccc2OCOc2c1 Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(C(=O)[*:1])C1CCCC1
Nc1c(N(C(=O)/C=C/c2ccc3c(c2)OCO3)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] Nc1c(c(=O)[nH]c(=O)n1C[*:1])N(C(=O)/C=C/c1ccc2OCOc2c1)C1CCCC1
O=[N+]([O-])c1ccccc1Sc1nnc(C2CC2)s1 C1CC1[*:1] O=[N+]([O-])c1ccccc1Sc1nnc(s1)[*:1]
O=[N+]([O-])c1ccccc1Sc1nnc(C2CC2)s1 O=[N+]([O-])[*:1] c1ccc(c(c1)Sc1nnc(s1)C1CC1)[*:1]
Cc1ccc(NC(=O)Cn2c(CCNC(=O)C3CC3)nc3ccccc32)cc1 O=C(N[*:1])C1CC1 Cc1ccc(cc1)NC(=O)Cn1c(CC[*:1])nc2ccccc21
Cc1ccc(NC(=O)Cn2c(CCNC(=O)C3CC3)nc3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1c(CCNC(=O)C2CC2)nc2ccccc21)N[*:1]
Cc1ccc(NC(=O)Cn2c(CCNC(=O)C3CC3)nc3ccccc32)cc1 O=C(NC[*:1])C1CC1 Cc1ccc(cc1)NC(=O)Cn1c(C[*:1])nc2ccccc21
Cc1ccc(NC(=O)Cn2c(CCNC(=O)C3CC3)nc3ccccc32)cc1 C1CC1[*:1] Cc1ccc(cc1)NC(=O)Cn1c(CCNC(=O)[*:1])nc2ccccc21
Cc1ccc(NC(=O)Cn2c(CCNC(=O)C3CC3)nc3ccccc32)cc1 O=C(NCC[*:1])C1CC1 Cc1ccc(cc1)NC(=O)Cn1c(nc2ccccc21)[*:1]
C[C@@H](c1ccco1)N(C(=O)Nc1c(F)cc(F)cc1F)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)Nc1c(F)cc(F)cc1F)C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)Nc1c(F)cc(F)cc1F)C1CC1 C[C@@H](c1ccco1)[*:1] O=C(Nc1c(F)cc(F)cc1F)N(C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)Nc1c(F)cc(F)cc1F)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1c(F)cc(F)cc1F)[*:1]
Cc1ccc(-n2cc[nH+]c2N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1cc[nH+]c1N1CCN(CC1)C[*:1]
Cc1ccc(-n2cc[nH+]c2N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)CN1CCN(CC1)c1[nH+]ccn1[*:1]
Cc1ccc(-n2cc[nH+]c2N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-n1cc[nH+]c1N1CCN(CC1)Cc1ccc(cc1)[*:1]
COCCO[C@H](C)C(=O)N1C[C@@H](C)Cc2ccccc21 COC[*:1] C[C@H]1Cc2ccccc2N(C1)C(=O)[C@@H](C)OC[*:1]
COCCO[C@H](C)C(=O)N1C[C@@H](C)Cc2ccccc21 COCCO[*:1] C[C@H]1Cc2ccccc2N(C1)C(=O)[C@@H](C)[*:1]
COCCO[C@H](C)C(=O)N1C[C@@H](C)Cc2ccccc21 COCC[*:1] C[C@H]1Cc2ccccc2N(C1)C(=O)[C@@H](C)O[*:1]
COC[C@H]1CCCN1C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(C)=O)[C@@H](C)[C@@H]2[C@H]1O COC[*:1] CC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCC[C@@H]3[*:1])[C@H](O)[C@H]2[C@@H]1C
COC[C@H]1CCCN1C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(C)=O)[C@@H](C)[C@@H]2[C@H]1O CC(=O)N[*:1] COC[C@H]1CCCN1C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H]([C@@H](C)[C@@H]2[C@H]1O)[*:1]
Cc1cccc2nnc(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)n12 Clc1ccc(cc1)[*:1] Cc1cccc2nnc(N3CCC(CC3)C(=O)N[*:1])n12
Cc1[nH]c(=O)sc1S(=O)(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])[*:1] Cc1[nH]c(=O)sc1S(=O)(=O)NC1(CCC1)C[*:1]
Cc1[nH]c(=O)sc1S(=O)(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])C[*:1] Cc1[nH]c(=O)sc1S(=O)(=O)NC1(CCC1)[*:1]
O=C(NC1CC1)c1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 O=C(NC1CC1)[*:1] O=C1O[C@H](Cc2ccccc21)C(=O)Nc1ccc(cc1)[*:1]
O=C(NC1CC1)c1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@H]1Cc2ccccc2C(=O)O1
C[NH2+][C@H](Cc1ccccn1)C(C)(C)C CC(C)(C)[*:1] C[NH2+][C@H](Cc1ccccn1)[*:1]
COc1ccccc1CCC(=O)N1C[C@H]2C[C@@H]1C(=O)N2c1cc(C)ccc1OC COc1ccc(C)cc1[*:1] COc1ccccc1CCC(=O)N1C[C@H]2C[C@@H]1C(=O)N2[*:1]
COc1ccccc1CCC(=O)N1C[C@H]2C[C@@H]1C(=O)N2c1cc(C)ccc1OC COc1ccccc1C[*:1] COc1ccc(C)cc1N1C(=O)[C@H]2C[C@@H]1CN2C(=O)C[*:1]
COc1ccccc1CCC(=O)N1C[C@H]2C[C@@H]1C(=O)N2c1cc(C)ccc1OC COc1ccccc1[*:1] COc1ccc(C)cc1N1C(=O)[C@H]2C[C@@H]1CN2C(=O)CC[*:1]
CCc1ccc(S(=O)(=O)N=C2S/C(=C/N(C)C)C(=O)N2CC)cc1 CCc1ccc(cc1)[*:1] CCN1C(=O)/C(=C\N(C)C)SC1=NS(=O)(=O)[*:1]
CCc1ccc(S(=O)(=O)N=C2S/C(=C/N(C)C)C(=O)N2CC)cc1 CN(C)[*:1] CCc1ccc(cc1)S(=O)(=O)N=C1SC(=C[*:1])C(=O)N1CC
O=c1ccc(-c2ccc(Br)cc2)nn1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=c1ccc(nn1C[*:1])-c1ccc(Br)cc1
O=c1ccc(-c2ccc(Br)cc2)nn1Cc1ccc(F)cc1 Brc1ccc(cc1)[*:1] O=c1ccc(nn1Cc1ccc(F)cc1)[*:1]
CC(C)CC[C@](C)(CO)Nc1ccc(Cl)c(Br)c1 CC(C)CC[*:1] C[C@](CO)(Nc1ccc(Cl)c(Br)c1)[*:1]
CC(C)CC[C@](C)(CO)Nc1ccc(Cl)c(Br)c1 CC(C)C[*:1] C[C@](CO)(C[*:1])Nc1ccc(Cl)c(Br)c1
CC(C)CC[C@](C)(CO)Nc1ccc(Cl)c(Br)c1 CC(C)[*:1] C[C@](CO)(CC[*:1])Nc1ccc(Cl)c(Br)c1
CCCCS[C@@H](C)C(=O)NCc1cn2cc(Cl)ccc2n1 CCC[*:1] C[C@H](SC[*:1])C(=O)NCc1cn2cc(Cl)ccc2n1
CCCCS[C@@H](C)C(=O)NCc1cn2cc(Cl)ccc2n1 CCCC[*:1] C[C@H](S[*:1])C(=O)NCc1cn2cc(Cl)ccc2n1
CCCCS[C@@H](C)C(=O)NCc1cn2cc(Cl)ccc2n1 CCCCS[C@@H](C)[*:1] O=C(NCc1cn2cc(Cl)ccc2n1)[*:1]
CCCCS[C@@H](C)C(=O)NCc1cn2cc(Cl)ccc2n1 CCCCS[*:1] C[C@@H](C(=O)NCc1cn2cc(Cl)ccc2n1)[*:1]
CS[C@H](C)CNC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)OC(=O)[*:1] CS[C@H](C)CNC(=O)c1ccc(cc1)[*:1]
CS[C@H](C)CNC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] CS[C@H](C)CNC(=O)c1ccc(cc1)C(=O)O[*:1]
C[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccc(cc1)[*:1]
CCN(CC)C(=O)[C@@]12CC[C@@](C)(c3nc4ccc([N+](=O)[O-])cc4nc31)C2(C)C CCN(CC)C(=O)[*:1] CC1(C)[C@@]2(C)CC[C@]1(c1nc3cc(ccc3nc12)[N+](=O)[O-])[*:1]
CCN(CC)C(=O)[C@@]12CC[C@@](C)(c3nc4ccc([N+](=O)[O-])cc4nc31)C2(C)C O=[N+]([O-])[*:1] CCN(CC)C(=O)[C@@]12CC[C@@](C)(c3nc4ccc(cc4nc31)[*:1])C2(C)C
COc1cc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc(OC)c1 COc1cc(cc(c1)[*:1])OC O=C(Nc1ccc(F)cc1)c1nnc(s1)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1cc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc(OC)c1 Fc1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)N1CCC[C@H](C1)c1nnc(s1)C(=O)N[*:1]
COc1cc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc(OC)c1 O=C(Nc1ccc(F)cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)N1CCC[C@H](C1)c1nnc(s1)[*:1]
Cc1cc(N2CCCN(c3cc[nH+]c(C)c3)CC2)cc[nH+]1 Cc1cc(cc[nH+]1)[*:1] Cc1cc(cc[nH+]1)N1CCCN(CC1)[*:1]
Cc1ccc(CCNC(=O)CCc2nc(=O)c3c(C)c(C)sc3[nH]2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1sc2[nH]c(CCC(=O)NCC[*:1])nc(=O)c2c1C
Cc1ccc(CCNC(=O)CCc2nc(=O)c3c(C)c(C)sc3[nH]2)c(C)c1 Cc1ccc(C[*:1])c(C)c1 Cc1sc2[nH]c(CCC(=O)NC[*:1])nc(=O)c2c1C
COc1ccc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)cc1 Cc1nc(C)n(n1)[*:1] COc1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1]
CN(CCSCc1cccc(C(N)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCSCc1cccc(c1)C(N)=O)[*:1]
CN(CCSCc1cccc(C(N)=O)c1)c1ccccc1 NC(=O)[*:1] CN(CCSCc1cccc(c1)[*:1])c1ccccc1
CC[C@@H](C)[C@H](C(=O)NC[C@](C)(O)C(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@H](C(=O)NC[C@](C)(O)C(C)C)[*:1]
CC[C@@H](C)[C@H](C(=O)NC[C@](C)(O)C(C)C)c1ccccc1 CC(C)[*:1] CC[C@@H](C)[C@H](C(=O)NC[C@](C)(O)[*:1])c1ccccc1
CC[C@@H](C)[C@H](C(=O)NC[C@](C)(O)C(C)C)c1ccccc1 CC[C@@H](C)[*:1] CC(C)[C@@](C)(O)CNC(=O)[C@H](c1ccccc1)[*:1]
CC[C@@H](C)[C@H](C(=O)NC[C@](C)(O)C(C)C)c1ccccc1 CC(C)[C@@](C)(O)C[*:1] CC[C@@H](C)[C@H](C(=O)N[*:1])c1ccccc1
CC[C@@H](C)[C@H](C(=O)NC[C@](C)(O)C(C)C)c1ccccc1 CC(C)[C@](C)(O)[*:1] CC[C@@H](C)[C@H](C(=O)NC[*:1])c1ccccc1
Cc1cc(S(N)(=O)=O)cc(NC(=O)CCC(=O)c2ccc(Br)cc2)c1C Brc1ccc(cc1)[*:1] Cc1cc(cc(NC(=O)CCC(=O)[*:1])c1C)S(N)(=O)=O
Cc1cc(S(N)(=O)=O)cc(NC(=O)CCC(=O)c2ccc(Br)cc2)c1C NS(=O)(=O)[*:1] Cc1cc(cc(NC(=O)CCC(=O)c2ccc(Br)cc2)c1C)[*:1]
CC[NH+](Cc1cccc(-c2nc(CCl)cs2)c1)CC(C)C ClCc1csc(n1)[*:1] CC[NH+](Cc1cccc(c1)[*:1])CC(C)C
CC[NH+](Cc1cccc(-c2nc(CCl)cs2)c1)CC(C)C CC(C)[*:1] CC[NH+](Cc1cccc(c1)-c1nc(cs1)CCl)C[*:1]
CC[NH+](Cc1cccc(-c2nc(CCl)cs2)c1)CC(C)C CC(C)C[*:1] CC[NH+](Cc1cccc(c1)-c1nc(cs1)CCl)[*:1]
COC(=O)c1cccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)o2)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])-c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)o1
COC(=O)c1cccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)o2)c1C Fc1ccccc1C[*:1] COC(=O)c1cccc(-c2ccc(/C=C3/NC(=O)N(C3=O)[*:1])o2)c1C
COC(=O)c1cccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)o2)c1C Fc1ccccc1[*:1] COC(=O)c1cccc(-c2ccc(/C=C3/NC(=O)N(C[*:1])C3=O)o2)c1C
CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(CC)nc32)cc1 CCOc1ccc(cc1)[*:1] CCc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2[*:1]
CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(CC)nc32)cc1 CCO[*:1] CCc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc(cc1)[*:1]
CCCCn1nccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 CCCC[*:1] O=C1CSc2ccc(cc2N1)C(=O)Nc1ccnn1[*:1]
CCCCn1nccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 CCC[*:1] O=C1CSc2ccc(cc2N1)C(=O)Nc1ccnn1C[*:1]
Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] Cc1nc(ncc1S(=O)(=O)N1CCN(CC1)C(=O)[*:1])-c1cccnc1
Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)c2ccncc2)CC1 c1cncc(c1)[*:1] Cc1nc(ncc1S(=O)(=O)N1CCN(CC1)C(=O)c1ccncc1)[*:1]
Cc1ccc([C@@H](C(=O)NCCNC(=O)c2ccccc2Cl)N(C)C)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)[C@@H](C(=O)NCCNC(=O)[*:1])N(C)C
Cc1ccc([C@@H](C(=O)NCCNC(=O)c2ccccc2Cl)N(C)C)cc1 CN(C)[*:1] Cc1ccc(cc1)[C@@H](C(=O)NCCNC(=O)c1ccccc1Cl)[*:1]
Cc1ccc([C@@H](C(=O)NCCNC(=O)c2ccccc2Cl)N(C)C)cc1 Cc1ccc(cc1)[*:1] CN(C)[C@H](C(=O)NCCNC(=O)c1ccccc1Cl)[*:1]
COc1ccccc1N(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1 COc1ccccc1[*:1] O=C(CN(S(=O)(=O)c1ccc(F)cc1)[*:1])NC1CC1
COc1ccccc1N(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1 C1CC1[*:1] COc1ccccc1N(CC(=O)N[*:1])S(=O)(=O)c1ccc(F)cc1
COc1ccccc1N(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1 O=C(NC1CC1)[*:1] COc1ccccc1N(C[*:1])S(=O)(=O)c1ccc(F)cc1
COc1ccccc1N(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccccc1N(CC(=O)NC1CC1)S(=O)(=O)[*:1]
COc1ccccc1N(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1 O=C(C[*:1])NC1CC1 COc1ccccc1N(S(=O)(=O)c1ccc(F)cc1)[*:1]
Cc1ccc(-c2nc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1csc(n1)[*:1]
Cc1ccc(-c2nc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(OC(=O)/C=C/C2CC2)c([N+](=O)[O-])c1 COC(=O)[*:1] O=C(/C=C/C1CC1)Oc1ccc(cc1[N+](=O)[O-])[*:1]
COC(=O)c1ccc(OC(=O)/C=C/C2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] COC(=O)c1ccc(OC(=O)C=C[*:1])c(c1)[N+](=O)[O-]
COC(=O)c1ccc(OC(=O)/C=C/C2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1ccc(OC(=O)/C=C/C2CC2)c(c1)[*:1]
COC(=O)c1ccc(OC(=O)/C=C/C2CC2)c([N+](=O)[O-])c1 C(=C[*:1])C1CC1 COC(=O)c1ccc(OC(=O)[*:1])c(c1)[N+](=O)[O-]
O=C(C1CC1)N1CCC[C@H](CNc2ncc3c(n2)CCN3c2ccccc2)C1 C1CC1[*:1] O=C(N1CCC[C@H](CNc2ncc3c(CCN3c3ccccc3)n2)C1)[*:1]
O=C(C1CC1)N1CCC[C@H](CNc2ncc3c(n2)CCN3c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(C1CC1)N1CCC[C@H](CNc2ncc3c(CCN3[*:1])n2)C1
Cc1ccc(-c2nc(C[NH+]3CCC(OCc4ccccn4)CC3)c(C)o2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)-c1nc(C[NH+]2CCC(CC2)OC[*:1])c(C)o1
Cc1ccc(-c2nc(C[NH+]3CCC(OCc4ccccn4)CC3)c(C)o2)cc1 c1ccc(C[*:1])nc1 Cc1ccc(cc1)-c1nc(C[NH+]2CCC(CC2)O[*:1])c(C)o1
Cc1ccc(-c2nc(C[NH+]3CCC(OCc4ccccn4)CC3)c(C)o2)cc1 c1ccc(CO[*:1])nc1 Cc1ccc(cc1)-c1nc(C[NH+]2CCC(CC2)[*:1])c(C)o1
Cc1ccc(-c2nc(C[NH+]3CCC(OCc4ccccn4)CC3)c(C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1oc(nc1C[NH+]1CCC(CC1)OCc1ccccn1)[*:1]
CC[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCCC1 O=[N+]([O-])[*:1] CC[C@@H](CNc1ccc(c2cccnc12)[*:1])[NH+]1CCCC1
Cc1nc(CC(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cs1 FC(F)(F)[*:1] Cc1nc(cs1)CC(=O)O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1nc(CC(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cs1 Cc1nc(cs1)C[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
Cc1nc(CC(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cs1 Cc1nc(cs1)[*:1] C[C@@H](OC(=O)C[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
C#CCN(C(=O)Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)Nc1ccccc1F)[*:1]
C#CCN(C(=O)Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] C#CCN(C(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(Nc1ccccc1F)N([C@H]1CCS(=O)(=O)C1)[*:1]
CC[C@H](C)CS(=O)(=O)Cc1c(C)cc(C)c(C(C)=O)c1C CC(=O)[*:1] CC[C@H](C)CS(=O)(=O)Cc1c(C)cc(C)c(c1C)[*:1]
CC[C@H](C)CS(=O)(=O)Cc1c(C)cc(C)c(C(C)=O)c1C CC[C@H](C)[*:1] CC(=O)c1c(C)cc(C)c(CS(=O)(=O)C[*:1])c1C
CCN(CC1CC1)C(=O)Nc1ccc(N2CCCC2=O)cc1 C1CC1[*:1] CCN(C[*:1])C(=O)Nc1ccc(cc1)N1CCCC1=O
CCN(CC1CC1)C(=O)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CCN(CC1CC1)C(=O)Nc1ccc(cc1)[*:1]
CCN(CC1CC1)C(=O)Nc1ccc(N2CCCC2=O)cc1 C1CC1C[*:1] CCN(C(=O)Nc1ccc(cc1)N1CCCC1=O)[*:1]
CCOC(=O)c1cnc(SC)nc1Oc1ccc(Br)cc1C=O CCOC(=O)[*:1] CSc1ncc(c(n1)Oc1ccc(Br)cc1C=O)[*:1]
CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N23)cc1 CCOc1ccc(cc1)[*:1] CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N[*:1])N2C1=O
CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N23)cc1 CCO[*:1] CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(cc3)[*:1])N2C1=O
CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N23)cc1 CC(C)[*:1] CCOc1ccc(cc1)NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](C(=O)N12)[*:1]
Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 Cc1ccccc1NC(=O)[*:1] O=S(=O)(c1ccc(cc1)OC[*:1])N1CCc2ccccc21
Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 Cc1ccccc1[*:1] O=C(COc1ccc(cc1)S(=O)(=O)N1CCc2ccccc21)N[*:1]
CCOC(=O)c1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1 CCOC(=O)[*:1] Cc1cc2c3C(=O)CC(C)(C)Cc3[nH]c2cc1S(=O)(=O)Nc1ccc(cc1)[*:1]
CN(C)C(=O)CNc1cc(F)ccc1OC[C@H]1CCCO1 CN(C)C(=O)C[*:1] Fc1ccc(OC[C@H]2CCCO2)c(c1)N[*:1]
CN(C)C(=O)CNc1cc(F)ccc1OC[C@H]1CCCO1 CN(C)C(=O)[*:1] Fc1ccc(OC[C@H]2CCCO2)c(c1)NC[*:1]
CN(C)C(=O)CNc1cc(F)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CN(C)C(=O)CNc1cc(F)ccc1O[*:1]
CN(C)C(=O)CNc1cc(F)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)CO[*:1] CN(C)C(=O)CNc1cc(F)ccc1[*:1]
CN(C)C(=O)CNc1cc(F)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CN(C)C(=O)CNc1cc(F)ccc1OC[*:1]
CN(C)C(=O)CNc1cc(F)ccc1OC[C@H]1CCCO1 CN(C)C(=O)CN[*:1] Fc1ccc(OC[C@H]2CCCO2)c(c1)[*:1]
COc1ccccc1CC(=O)C(OC)OC COC(OC)[*:1] COc1ccccc1CC(=O)[*:1]
O=C(CCS(=O)(=O)c1ccccn1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CCS(=O)(=O)c1ccccn1)N[*:1]
O=C(CCS(=O)(=O)c1ccccn1)Nc1cccc(Cl)c1 c1ccc(nc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1cccc(Cl)c1
CC(C)(C)c1noc(CCC(=O)NC[C@@H](O)c2ccc(F)cc2)n1 CC(C)(C)[*:1] O=C(CCc1nc(no1)[*:1])NC[C@@H](O)c1ccc(F)cc1
CC(C)(C)c1noc(CCC(=O)NC[C@@H](O)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)(C)c1noc(CCC(=O)NC[C@@H](O)[*:1])n1
CS(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccco1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccccc3s2)cc1 c1coc(c1)C[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N(c1nc2ccccc2s1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccccc3s2)cc1 c1coc(c1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N(C[*:1])c1nc2ccccc2s1
CS(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccccc3s2)cc1 CS(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccco1)c1nc2ccccc2s1
Cc1ccc2nc(NC(=O)c3c(C)nn(-c4ccccc4)c3-n3cccc3)sc2c1 c1ccn(c1)[*:1] Cc1ccc2nc(NC(=O)c3c(C)nn(-c4ccccc4)c3[*:1])sc2c1
Cc1ccc2nc(NC(=O)c3c(C)nn(-c4ccccc4)c3-n3cccc3)sc2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(NC(=O)c3c(C)nn(c3-n3cccc3)[*:1])sc2c1
Cc1ccc2nc(NC(=O)c3c(C)nn(-c4ccccc4)c3-n3cccc3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] Cc1nn(-c2ccccc2)c(c1C(=O)N[*:1])-n1cccc1
CC(C)Cc1ccc(C[NH2+]CCc2cccnc2)cc1 CC(C)C[*:1] c1cncc(c1)CC[NH2+]Cc1ccc(cc1)[*:1]
CC(C)Cc1ccc(C[NH2+]CCc2cccnc2)cc1 CC(C)[*:1] c1cncc(c1)CC[NH2+]Cc1ccc(cc1)C[*:1]
CC(C)Cc1ccc(C[NH2+]CCc2cccnc2)cc1 c1cncc(c1)[*:1] CC(C)Cc1ccc(cc1)C[NH2+]CC[*:1]
CC1(C)CC[C@H](CNC(=O)[C@@H]2CCOC2)c2ccccc21 C1C[C@H](CO1)[*:1] CC1(C)CC[C@H](CNC(=O)[*:1])c2ccccc21
CCCSCc1noc([C@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)n1 CCC[*:1] C1CC[C@@H]2[NH2+][C@H](CC[C@@H]2C1)c1nc(CS[*:1])no1
CCCSCc1noc([C@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)n1 CCCS[*:1] C1CC[C@@H]2[NH2+][C@H](CC[C@@H]2C1)c1nc(C[*:1])no1
CCCSCc1noc([C@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)n1 CCCSC[*:1] C1CC[C@@H]2[NH2+][C@H](CC[C@@H]2C1)c1nc(no1)[*:1]
CC(C)(C)OCc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1 CC(C)(C)OC[*:1] O=S(=O)(/C=C/c1ccccc1)[N-]c1ccc(cc1)[*:1]
CC(C)(C)OCc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1 CC(C)(C)O[*:1] O=S(=O)(/C=C/c1ccccc1)[N-]c1ccc(cc1)C[*:1]
CC(C)(C)OCc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1 CC(C)(C)[*:1] O=S(=O)(/C=C/c1ccccc1)[N-]c1ccc(cc1)CO[*:1]
CC(C)(C)OCc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)(C)OCc1ccc(cc1)[N-]S(=O)(=O)C=C[*:1]
CC(C)(C)OCc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1 C(=C[*:1])c1ccccc1 CC(C)(C)OCc1ccc(cc1)[N-]S(=O)(=O)[*:1]
C[C@H](C#N)CN(C)S(=O)(=O)c1ccc(Cl)nc1 C[C@H](C#N)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(Cl)nc1
C[C@H](C#N)CN(C)S(=O)(=O)c1ccc(Cl)nc1 C[C@H](C#N)C[*:1] CN(S(=O)(=O)c1ccc(Cl)nc1)[*:1]
Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)N1CCOCC1 FC(F)(F)[*:1] Cc1cc(nn1C[C@H](C)C(=O)N1CCOCC1)[*:1]
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=N[C@@H]12)c1ccc2c(c1)OCO2 O=C(N[*:1])c1ccc2OCOc2c1 O=C([C@@H](Cc1ccccc1)[*:1])N1CCC2(CC1)[NH2+]CCC1=NC=N[C@@H]12
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=N[C@@H]12)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=N[C@@H]12)c1ccc2OCOc2c1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=N[C@@H]12)c1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] O=C(N[C@H](C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=N[C@@H]12)[*:1])c1ccc2OCOc2c1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=N[C@@H]12)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C([C@@H](Cc1ccccc1)NC(=O)[*:1])N1CCC2(CC1)[NH2+]CCC1=NC=N[C@@H]12
CCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N1CCCC[C@@H]1C
CCOc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2OC)cc1 CCO[*:1] COc1ccc(Cl)cc1N/C=C/C(=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)c1ccncc1 C[C@H](c1ccncc1)[*:1] O=C(CNC(=O)N1CCc2ccccc2C1)N[*:1]
C[C@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)CNC(=O)N1CCc2ccccc2C1)[*:1]
O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(Cn1cnc2ccc(Cl)cc2c1=O)N[*:1]
COc1ccc(/C=C\C(=O)N2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(/C=C\C(=O)N2CCN(CC2)c2nccn2[*:1])cc1OC
COc1ccc(/C=C\C(=O)N2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)-n1ccnc1N1CCN(CC1)C(=O)C=C[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)N1CCOCC1 c1coc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])NC(=O)C1CCN(CC1)C(=O)c1ccco1
CC[C@@H](C)CNC(=O)c1cccc(C(F)(F)F)c1NC CC[C@@H](C)C[*:1] CNc1c(cccc1C(F)(F)F)C(=O)N[*:1]
CC[C@@H](C)CNC(=O)c1cccc(C(F)(F)F)c1NC CC[C@@H](C)[*:1] CNc1c(cccc1C(F)(F)F)C(=O)NC[*:1]
CC[C@@H](C)CNC(=O)c1cccc(C(F)(F)F)c1NC FC(F)(F)[*:1] CC[C@@H](C)CNC(=O)c1cccc(c1NC)[*:1]
COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H]1[*:1]
COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H]1c1cccc(OC)c1 COC(=O)[*:1] COc1cccc(c1)[C@H]1CCCN1S(=O)(=O)c1ccsc1[*:1]
O=C(CSc1ccccc1)N/N=C/c1ccc2ccccc2c1 c1ccc(cc1)S[*:1] O=C(C[*:1])N/N=C/c1ccc2ccccc2c1
O=C(CSc1ccccc1)N/N=C/c1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=C(CS[*:1])N/N=C/c1ccc2ccccc2c1
CN(C[C@H]1CCCCO1)C(=O)c1cc2ccccc2c(=O)[nH]1 C1CC[C@H](C[*:1])OC1 CN(C(=O)c1cc2ccccc2c(=O)[nH]1)[*:1]
CN(C[C@H]1CCCCO1)C(=O)c1cc2ccccc2c(=O)[nH]1 C1CC[C@@H](OC1)[*:1] CN(C[*:1])C(=O)c1cc2ccccc2c(=O)[nH]1
CC(C)(CNC(=O)NCc1cc(Br)cs1)c1ccncc1 Brc1csc(c1)[*:1] CC(C)(CNC(=O)NC[*:1])c1ccncc1
CC(C)(CNC(=O)NCc1cc(Br)cs1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)NCc1cc(Br)cs1)[*:1]
CC(C)(CNC(=O)NCc1cc(Br)cs1)c1ccncc1 Brc1csc(c1)C[*:1] CC(C)(CNC(=O)N[*:1])c1ccncc1
C[C@H](CNc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc2ccccc2c1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@H](CN[*:1])NS(=O)(=O)c1ccc2ccccc2c1
C[C@H](CNc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc2ccccc2c1 O=[N+]([O-])[*:1] C[C@H](CNc1ccc(cc1)[*:1])NS(=O)(=O)c1ccc2ccccc2c1
O=C(C1CCCC1)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 FC(F)(F)[*:1] O=C(C1CCCC1)N1CC[C@H](C1)c1cc(CCOc2cccc(c2)[*:1])[nH]n1
O=C(C1CCCC1)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 FC(F)(F)c1cccc(c1)[*:1] O=C(C1CCCC1)N1CC[C@H](C1)c1cc(CCO[*:1])[nH]n1
O=C(C1CCCC1)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 C1CCC(C1)[*:1] O=C(N1CC[C@H](C1)c1cc(CCOc2cccc(c2)C(F)(F)F)[nH]n1)[*:1]
O=C([O-])c1ccncc1-c1ccc(F)cc1F O=C([O-])[*:1] Fc1ccc(c(F)c1)-c1cnccc1[*:1]
CS(=O)(=O)[C@H]1CCC[C@@]1(O)C1(C[NH3+])Cc2ccccc2C1 CS(=O)(=O)[*:1] [NH3+]CC1(Cc2ccccc2C1)[C@]1(O)CCC[C@@H]1[*:1]
Cc1[nH+]cn(C[C@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)c1C c1ccc(cc1)[*:1] Cc1[nH+]cn(C[C@H](C)N[C@@H](C[*:1])C(=O)N2CCCCC2)c1C
Cc1[nH+]cn(C[C@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)c1C O=C(N1CCCCC1)[*:1] Cc1[nH+]cn(C[C@H](C)N[C@@H](Cc2ccccc2)[*:1])c1C
Cc1[nH+]cn(C[C@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)c1C c1ccc(cc1)C[*:1] Cc1[nH+]cn(C[C@H](C)N[C@@H](C(=O)N2CCCCC2)[*:1])c1C
C[NH+](Cc1cc(-c2ccccc2)no1)CC1CC[NH2+]CC1 c1ccc(cc1)[*:1] C[NH+](Cc1cc(no1)[*:1])CC1CC[NH2+]CC1
Cc1cnc(-c2cccc(NC(=O)N3CCC[NH+](C(C)C)CC3)c2)o1 CC(C)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)N1CCC[NH+](CC1)[*:1]
Cc1cnc(-c2cccc(NC(=O)N3CCC[NH+](C(C)C)CC3)c2)o1 Cc1cnc(o1)[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)Nc1cccc(c1)[*:1]
C/C=C/C=C/C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 C/C=C/C=C/C(=O)N[*:1] O=S(=O)(Nc1ccccc1C[*:1])c1ccccc1
C/C=C/C=C/C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 CC=C[*:1] O=C(C=C[*:1])NCc1ccccc1NS(=O)(=O)c1ccccc1
C/C=C/C=C/C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 C/C=C/C=C[*:1] O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)[*:1]
C/C=C/C=C/C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C/C=C/C=C/C(=O)NCc1ccccc1NS(=O)(=O)[*:1]
COC(=O)c1ccc(C)c(NC(=O)C(=O)NC2CCCC2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)C(=O)NC1CCCC1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)C(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)C(=O)N[*:1]
Cc1ccsc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] CC(C)(C)[*:1] Cc1ccsc1C(=O)N1CCN(C[C@@H]1C(=O)[O-])C(=O)O[*:1]
Cc1ccsc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1ccsc1C(=O)N1CCN(C[C@H]1[*:1])C(=O)OC(C)(C)C
Cc1ccsc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] Cc1ccsc1[*:1] CC(C)(C)OC(=O)N1CCN(C(=O)[*:1])[C@H](C1)C(=O)[O-]
C#CCN(CC(=O)[O-])C(=O)c1nc(CC)n[n-]1 C#CC[*:1] CCc1n[n-]c(n1)C(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)c1nc(CC)n[n-]1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)c1nc(CC)n[n-]1
C#CCN(CC(=O)[O-])C(=O)c1nc(CC)n[n-]1 O=C([O-])C[*:1] C#CCN(C(=O)c1nc(CC)n[n-]1)[*:1]
CCOc1ccc(NC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc1 CCOc1ccc(cc1)[*:1] CC1(C)Cc2ccccc2-c2nnc(SCC(=O)N[*:1])n21
CCOc1ccc(NC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc1 CCO[*:1] CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccc(cc3)[*:1])n21
Cc1n[nH]c2ncc(C(=O)N3CCOC[C@@H]3C3CC3)cc12 C1CC1[*:1] Cc1n[nH]c2ncc(cc12)C(=O)N1CCOC[C@H]1[*:1]
O=C1CC[C@H](C(=O)N2CCC(c3ccncc3)CC2)CN1CCN1CCOCC1 c1cc(ccn1)[*:1] O=C1CC[C@@H](CN1CCN1CCOCC1)C(=O)N1CCC(CC1)[*:1]
O=C1CC[C@H](C(=O)N2CCC(c3ccncc3)CC2)CN1CCN1CCOCC1 C1CN(CCO1)[*:1] O=C1CC[C@@H](CN1CC[*:1])C(=O)N1CCC(CC1)c1ccncc1
O=C1CC[C@H](C(=O)N2CCC(c3ccncc3)CC2)CN1CCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C([C@H]1CCC(=O)N(C1)[*:1])N1CCC(CC1)c1ccncc1
O=C1CC[C@H](C(=O)N2CCC(c3ccncc3)CC2)CN1CCN1CCOCC1 C1CN(CCO1)C[*:1] O=C1CC[C@@H](CN1C[*:1])C(=O)N1CCC(CC1)c1ccncc1
Cc1cc(CS(=O)(=O)Nc2ccnn2Cc2cccnc2)no1 c1cncc(c1)[*:1] Cc1cc(CS(=O)(=O)Nc2ccnn2C[*:1])no1
Cc1cc(CS(=O)(=O)Nc2ccnn2Cc2cccnc2)no1 Cc1cc(C[*:1])no1 O=S(=O)(Nc1ccnn1Cc1cccnc1)[*:1]
Cc1cc(CS(=O)(=O)Nc2ccnn2Cc2cccnc2)no1 c1cncc(c1)C[*:1] Cc1cc(CS(=O)(=O)Nc2ccnn2[*:1])no1
Cc1cc(CS(=O)(=O)Nc2ccnn2Cc2cccnc2)no1 Cc1cc(no1)[*:1] O=S(=O)(C[*:1])Nc1ccnn1Cc1cccnc1
Cc1ccc(O[C@H](C)CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[*:1]
Cc1ccc(O[C@H](C)CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)O[*:1]
Cc1ccc(O[C@H](C)CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)[C@@H](C)O[*:1]
C[C@H](CS)CSCc1ccco1 C[C@H](CS)[*:1] c1coc(c1)CSC[*:1]
Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccccc4)C3)C2=O)c1 Cc1cccc(c1)C[*:1] O=C(c1ccccc1)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccccc4)C3)C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CN1CCC[C@@]2(CCN(C2)C(=O)[*:1])C1=O
Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccccc4)C3)C2=O)c1 Cc1cccc(c1)[*:1] O=C(c1ccccc1)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2C1 CS(=O)(=O)[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)NNC(=O)c1ccc(cc1)[*:1]
CC(C)OCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](C)N2C1=O CC(C)OCCCNC(=O)[*:1] C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C(=O)N21)c1ccccc1[*:1]
CC(C)OCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](C)N2C1=O CC(C)[*:1] C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C(=O)N21)c1ccccc1C(=O)NCCCO[*:1]
CC(C)OCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](C)N2C1=O CC(C)OCCC[*:1] C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C(=O)N21)c1ccccc1C(=O)N[*:1]
CC(C)OCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](C)N2C1=O CC(C)OCC[*:1] C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C(=O)N21)c1ccccc1C(=O)NC[*:1]
CC(C)OCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](C)N2C1=O CC(C)OC[*:1] C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C(=O)N21)c1ccccc1C(=O)NCC[*:1]
CC(C)OCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](C)N2C1=O CC(C)O[*:1] C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C(=O)N21)c1ccccc1C(=O)NCCC[*:1]
Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1Br
Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)c1 Brc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cc2ccccc2[nH]1 c1csc(c1)[*:1] C[C@@H](C[C@@H](O)[*:1])NC(=O)c1cc2ccccc2[nH]1
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cc2ccccc2[nH]1 O[C@@H](c1cccs1)[*:1] C[C@@H](C[*:1])NC(=O)c1cc2ccccc2[nH]1
N#[N+]c1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12 c1ccc(cc1)[*:1] N#[N+]c1[nH]nc2nnc(-c3ccccc3)c(c12)[*:1]
N#[N+]c1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12 c1ccc(cc1)[*:1] N#[N+]c1[nH]nc2nnc(c(-c3ccccc3)c12)[*:1]
C[C@H](Cc1ccco1)NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 c1coc(c1)[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1
C[C@H](Cc1ccco1)NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 c1coc(c1)C[*:1] C[C@H](NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1)[*:1]
CC(=O)c1cccc(OS(=O)(=O)c2cccc(C#N)c2)c1 CC(=O)[*:1] N#Cc1cccc(c1)S(=O)(=O)Oc1cccc(c1)[*:1]
CN(C(=O)Cn1ncc2c1-c1ccccc1OC2)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CN(C(=O)Cn1ncc2COc3ccccc3-c21)c1cccc(c1)[*:1]
CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] CCOC(=O)C(=O)N1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCCO3)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCC(=O)Nc1ccc2OCCCOc2c1
CCN1C(=O)c2cccc3cc(S(=O)(=O)NCC(=O)[O-])cc(c23)C1=O O=C([O-])[*:1] CCN1C(=O)c2cccc3cc(cc(C1=O)c23)S(=O)(=O)NC[*:1]
CCN1C(=O)c2cccc3cc(S(=O)(=O)NCC(=O)[O-])cc(c23)C1=O O=C([O-])C[*:1] CCN1C(=O)c2cccc3cc(cc(C1=O)c23)S(=O)(=O)N[*:1]
CCN1C(=O)c2cccc3cc(S(=O)(=O)NCC(=O)[O-])cc(c23)C1=O O=C([O-])CNS(=O)(=O)[*:1] CCN1C(=O)c2cccc3cc(cc(C1=O)c23)[*:1]
COc1ccc(S[C@H](C)C(=O)N(C)c2cccnc2N(C)C)cc1 COc1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)N(C)c1cccnc1N(C)C
COc1ccc(S[C@H](C)C(=O)N(C)c2cccnc2N(C)C)cc1 CN(C)[*:1] COc1ccc(cc1)S[C@H](C)C(=O)N(C)c1cccnc1[*:1]
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 FC(F)(F)c1cccc(c1)[*:1] CC(=O)Nc1cc(cc(c1)C(=O)Nc1cccc(c1)C(=O)N[*:1])NC(C)=O
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 FC(F)(F)[*:1] CC(=O)Nc1cc(cc(c1)C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)[*:1])NC(C)=O
COc1ccc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)[*:1])n1cncn1
COc1ccc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cc1 c1ncn(n1)[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1)NC(=O)[C@H](C)[*:1]
C[NH2+][C@H](C)c1ccn(CC(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] C[NH2+][C@H](C)c1ccn(c1)CC(=O)N[*:1]
O=C(c1ccccc1C[NH+]1CCC1)C1CCCC1 C1CCC(C1)[*:1] O=C(c1ccccc1C[NH+]1CCC1)[*:1]
Cc1ccc(NC(=O)NCC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1F Fc1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)NCC1CC[NH+](CC1)CC[*:1]
Cc1ccc(NC(=O)NCC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1F Cc1ccc(cc1F)[*:1] O=C(NCC1CC[NH+](CCc2ccc(F)cc2)CC1)N[*:1]
Cc1ccc(NC(=O)NCC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1F Fc1ccc(cc1)CC[*:1] Cc1ccc(cc1F)NC(=O)NCC1CC[NH+](CC1)[*:1]
Cc1ccc(NC(=O)NCC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1F Fc1ccc(cc1)C[*:1] Cc1ccc(cc1F)NC(=O)NCC1CC[NH+](CC1)C[*:1]
Cc1ccc2oc(N/C(N)=N/C(=O)Nc3cccc(Cl)c3)nc2c1 Clc1cccc(c1)[*:1] Cc1ccc2oc(nc2c1)N/C(N)=N/C(=O)N[*:1]
O=C(CNC(=O)Cc1ccc[nH]1)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)Cc1ccc[nH]1)NC[*:1]
O=C(CNC(=O)Cc1ccc[nH]1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)Cc1ccc[nH]1)NCC[*:1]
O=C(CNC(=O)Cc1ccc[nH]1)NCCc1ccccc1 c1c[nH]c(c1)C[*:1] O=C(CNC(=O)[*:1])NCCc1ccccc1
O=C(CNC(=O)Cc1ccc[nH]1)NCCc1ccccc1 c1c[nH]c(c1)[*:1] O=C(CNC(=O)C[*:1])NCCc1ccccc1
CCCC[NH+](C)Cn1c(=O)oc2ccccc21 CCCC[*:1] C[NH+](Cn1c(=O)oc2ccccc21)[*:1]
CCCC[NH+](C)Cn1c(=O)oc2ccccc21 CCC[*:1] C[NH+](Cn1c(=O)oc2ccccc21)C[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)N3CCNC3=O)CC2)c(F)c1 O=C1NCCN1C(=O)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)N3CCNC3=O)CC2)c(F)c1 CC(=O)[*:1] O=C(CN1CCN(CC1)c1ccc(cc1F)[*:1])N1CCNC1=O
CCC1(CC)CCN(c2ncccc2C[NH2+]C(C)(C)C)C1 CC(C)(C)[*:1] CCC1(CC)CCN(C1)c1ncccc1C[NH2+][*:1]
C[C@@](O)(CNC(=O)Nc1cnc(-c2ccccc2)s1)c1cccs1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
C[C@@](O)(CNC(=O)Nc1cnc(-c2ccccc2)s1)c1cccs1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)Nc1cnc(s1)[*:1])c1cccs1
O=C1CCC(=O)N1CCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 O=C1CCC(=O)N1C[*:1] O=C(NC[*:1])N1CCC[C@@H]1c1cccc(Cl)c1
O=C1CCC(=O)N1CCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 O=C1CCC(=O)N1[*:1] O=C(NCC[*:1])N1CCC[C@@H]1c1cccc(Cl)c1
O=C1CCC(=O)N1CCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1CCC(=O)N1CCNC(=O)N1CCC[C@H]1[*:1]
COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)-c1ccc(=O)n(CC(=O)N[*:1])n1
COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])NCc1ccco1
COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-c1ccc(=O)n(CC(=O)NC[*:1])n1
CCCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1 CCCOc1ccc(cc1)[*:1] Cc1ccc(cc1)CSc1nc(=O)c2c(NC(=O)C[C@@H]2[*:1])n1C
CCCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1 Cc1ccc(cc1)CS[*:1] CCCOc1ccc(cc1)[C@H]1CC(=O)Nc2c1c(=O)nc(n2C)[*:1]
CCCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1 Cc1ccc(cc1)[*:1] CCCOc1ccc(cc1)[C@H]1CC(=O)Nc2c1c(=O)nc(SC[*:1])n2C
CCCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1 CCCO[*:1] Cc1ccc(cc1)CSc1nc(=O)c2c(NC(=O)C[C@@H]2c2ccc(cc2)[*:1])n1C
CCCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1 Cc1ccc(cc1)C[*:1] CCCOc1ccc(cc1)[C@H]1CC(=O)Nc2c1c(=O)nc(S[*:1])n2C
CCCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1 CCC[*:1] Cc1ccc(cc1)CSc1nc(=O)c2c(NC(=O)C[C@@H]2c2ccc(cc2)O[*:1])n1C
CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2c(cc1C#N)CCCC2 CC(C)[*:1] C[C@H](Sc1nc2CCCCc2cc1C#N)C(=O)Nc1ccnn1[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2c(cc1C#N)CCCC2 CC(C)n1nccc1[*:1] C[C@H](Sc1nc2CCCCc2cc1C#N)C(=O)N[*:1]
C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1COc2ccccc2O1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1COc2ccccc2O1)C[*:1]
C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1COc2ccccc2O1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1COc2ccccc2O1)[*:1]
CON(C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 CON(C)C[*:1] CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[*:1]
CON(C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 CON(C)[*:1] CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[*:1]
O=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 Fc1ccc(cc1Cl)[*:1] O=C(c1ccoc1)N1CCC(CC1)CNS(=O)(=O)[*:1]
O=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 c1cc(co1)[*:1] O=C(N1CCC(CC1)CNS(=O)(=O)c1ccc(F)c(Cl)c1)[*:1]
Cc1ccc(CNC(=O)C[S@@](=O)Cc2ncc(Cl)n2C)cc1F Cn1c(Cl)cnc1[*:1] Cc1ccc(cc1F)CNC(=O)C[S@@](=O)C[*:1]
C[C@@H]1Cc2ccccc2N1CCC(=O)N(C)CCC(N)=S NC(=S)CC[*:1] C[C@@H]1Cc2ccccc2N1CCC(=O)N(C)[*:1]
C[C@@H]1Cc2ccccc2N1CCC(=O)N(C)CCC(N)=S NC(=S)C[*:1] C[C@@H]1Cc2ccccc2N1CCC(=O)N(C)C[*:1]
C[C@@H]1Cc2ccccc2N1CCC(=O)N(C)CCC(N)=S NC(=S)[*:1] C[C@@H]1Cc2ccccc2N1CCC(=O)N(C)CC[*:1]
CCOC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 Cc1ccc(c(C)c1)[*:1] CCOC(=O)c1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 CCOC(=O)[*:1] Cc1ccc(c(C)c1)N1C[C@@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
CC(C)C(=O)Nc1ccc(N[C@@H](C)C(=O)NC(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)C(=O)Nc1ccc(cc1)N[C@@H](C)C(=O)NC(=O)N[*:1]
CC(C)C(=O)Nc1ccc(N[C@@H](C)C(=O)NC(=O)NCc2ccccc2)cc1 CC(C)C(=O)N[*:1] C[C@H](Nc1ccc(cc1)[*:1])C(=O)NC(=O)NCc1ccccc1
CC(C)C(=O)Nc1ccc(N[C@@H](C)C(=O)NC(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)N[C@@H](C)C(=O)NC(=O)NC[*:1]
CC(C)C(=O)Nc1ccc(N[C@@H](C)C(=O)NC(=O)NCc2ccccc2)cc1 CC(C)[*:1] C[C@H](Nc1ccc(cc1)NC(=O)[*:1])C(=O)NC(=O)NCc1ccccc1
COc1ccccc1[C@@H](N[C@@H](C)c1cnc(C)s1)c1ccccn1 Cc1ncc(s1)[*:1] COc1ccccc1[C@@H](N[C@@H](C)[*:1])c1ccccn1
COc1ccccc1[C@@H](N[C@@H](C)c1cnc(C)s1)c1ccccn1 COc1ccccc1[*:1] Cc1ncc(s1)[C@H](C)N[C@@H](c1ccccn1)[*:1]
COc1ccccc1[C@@H](N[C@@H](C)c1cnc(C)s1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](N[C@@H](C)c1cnc(C)s1)[*:1]
COC(=O)[C@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COC(=O)[C@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@@H]1N2[*:1]
COC(=O)[C@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 O=C(C[*:1])N1CCOCC1 COC(=O)[C@@]1(C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1)[*:1]
COC(=O)[C@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 O=C(N1CCOCC1)[*:1] COC(=O)[C@]1(C[*:1])C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1
COC(=O)[C@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@@H]1N2C[*:1]
COC(=O)[C@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 COC(=O)[*:1] O=C(C[C@@]1(C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1)[*:1])N1CCOCC1
Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)s1 FC(F)(F)[*:1] Cc1ccc(s1)C(=O)N1CCO[C@H](C1)c1cccc(c1)[*:1]
Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)s1 Cc1ccc(s1)[*:1] O=C(N1CCO[C@H](C1)c1cccc(c1)C(F)(F)F)[*:1]
COc1cc2nc(NC(=O)[C@@H](C)Oc3ccccc3)sc2cc1OC c1ccc(cc1)[*:1] COc1cc2nc(NC(=O)[C@@H](C)O[*:1])sc2cc1OC
COc1cc2nc(NC(=O)[C@@H](C)Oc3ccccc3)sc2cc1OC c1ccc(cc1)O[*:1] COc1cc2nc(NC(=O)[C@@H](C)[*:1])sc2cc1OC
CCOC(=O)CCC(=O)N[C@H]1CCCC1(C)C CCOC(=O)[*:1] CC1(C)CCC[C@@H]1NC(=O)CC[*:1]
C#CCn1/c(=N\C(=O)c2cc(C)n(C)n2)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] C#CCn1/c(=N\C(=O)c2cc(C)n(C)n2)sc2cc(ccc21)[*:1]
C#CCn1/c(=N\C(=O)c2cc(C)n(C)n2)sc2cc(S(N)(=O)=O)ccc21 Cc1cc(nn1C)[*:1] C#CCn1/c(=N\C(=O)[*:1])sc2cc(ccc21)S(N)(=O)=O
C#CCn1/c(=N\C(=O)c2cc(C)n(C)n2)sc2cc(S(N)(=O)=O)ccc21 C#CC[*:1] Cc1cc(nn1C)C(=O)/N=c1/sc2cc(ccc2n1[*:1])S(N)(=O)=O
Cc1cc(NC(=O)COc2ccccc2C)n(-c2nc([O-])c3c(n2)CCC3)n1 Cc1ccccc1[*:1] Cc1cc(NC(=O)CO[*:1])n(n1)-c1nc([O-])c2CCCc2n1
Cc1cc(NC(=O)COc2ccccc2C)n(-c2nc([O-])c3c(n2)CCC3)n1 Cc1ccccc1OC[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc([O-])c2CCCc2n1
Cc1cc(NC(=O)COc2ccccc2C)n(-c2nc([O-])c3c(n2)CCC3)n1 Cc1ccccc1O[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1nc([O-])c2CCCc2n1
CCc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n(C)c12 CC(C)S(=O)(=O)[*:1] CCc1cccc2s/c(=N\C(=O)c3ccc(cc3)[*:1])n(C)c12
CCc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n(C)c12 CC(C)[*:1] CCc1cccc2s/c(=N\C(=O)c3ccc(cc3)S(=O)(=O)[*:1])n(C)c12
C[C@@H](Sc1nnnn1C)C(=O)Nc1ccccc1Br Cn1nnnc1[*:1] C[C@@H](S[*:1])C(=O)Nc1ccccc1Br
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1ccc(F)cc1)Cc1ccco1 c1coc(c1)C[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)N(Cc1ccc(F)cc1)[*:1]
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1ccc(F)cc1)Cc1ccco1 c1coc(c1)[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)N(Cc1ccc(F)cc1)C[*:1]
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1ccc(F)cc1)Cc1ccco1 Fc1ccc(cc1)C[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)N(Cc1ccco1)[*:1]
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1ccc(F)cc1)Cc1ccco1 Fc1ccc(cc1)[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)N(Cc1ccco1)C[*:1]
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1ccc(F)cc1)Cc1ccco1 O=S(=O)(N1CCOCC1)[*:1] O=C(c1cccc(c1)[*:1])N(Cc1ccc(F)cc1)Cc1ccco1
O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(c1ccc2ccccc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)Nc1ccc(C)cc1OCc1ccccc1C#N CC(=O)N[*:1] Cc1ccc(c(c1)OCc1ccccc1C#N)[*:1]
COc1ccccc1NC(=O)NCCn1nc(-c2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] COc1ccccc1NC(=O)NCCn1nc(n(C)c1=O)[*:1]
COc1ccccc1NC(=O)NCCn1nc(-c2ccccc2)n(C)c1=O COc1ccccc1[*:1] Cn1c(nn(CCNC(=O)N[*:1])c1=O)-c1ccccc1
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1OC O=C1COc2ccc(cc2N1)[*:1] COc1ccc(cc1OC)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccccc1OCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 COc1ccccc1O[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)N1CCN(CC1)C(=O)C[*:1]
COc1ccccc1OCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 COc1ccccc1OC[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)N1CCN(CC1)C(=O)[*:1]
COc1ccccc1OCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 COc1ccccc1[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)N1CCN(CC1)C(=O)CO[*:1]
CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cccc([S@](C)=O)c1 CC[C@H](C)[C@@H](O)[*:1] C[S@](=O)c1cccc(c1)NC(=O)C(=O)NC[*:1]
CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cccc([S@](C)=O)c1 CC[C@H](C)[C@@H](O)C[*:1] C[S@](=O)c1cccc(c1)NC(=O)C(=O)N[*:1]
CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cccc([S@](C)=O)c1 CC[C@H](C)[*:1] C[S@](=O)c1cccc(c1)NC(=O)C(=O)NC[C@H](O)[*:1]
CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cccc([S@](C)=O)c1 C[S@](=O)[*:1] CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])-n1cnnn1
Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1nnc2n1CCC2 c1nnnn1[*:1] Cc1ccc(cc1NC(=O)NCc1nnc2CCCn21)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)NCCn1cccc1 c1ccn(c1)C[*:1] C[C@@H](c1ccncc1)N(C)C(=O)NC[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)NCCn1cccc1 c1ccn(c1)[*:1] C[C@@H](c1ccncc1)N(C)C(=O)NCC[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)NCCn1cccc1 c1cc(ccn1)[*:1] C[C@@H](N(C)C(=O)NCCn1cccc1)[*:1]
C[S@](=O)Cc1cccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1 FC(F)O[*:1] C[S@](=O)Cc1cccc(c1)C(=O)Nc1ccc(c(F)c1)[*:1]
C[S@](=O)Cc1cccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1 FC(F)[*:1] C[S@](=O)Cc1cccc(c1)C(=O)Nc1ccc(O[*:1])c(F)c1
CC(C)NC(=O)/C(C#N)=C(/[O-])[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@@H]1/C([O-])=C(/C#N)C(=O)N[*:1]
CC(C)NC(=O)/C(C#N)=C(/[O-])[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)NC(=O)/C(C#N)=C(/[O-])[C@H]1C[C@@H]1c1ccc(cc1)[*:1]
CC(C)NC(=O)/C(C#N)=C(/[O-])[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 CC(C)NC(=O)[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@@H]1C([O-])=C(C#N)[*:1]
Cc1ccc(C(=O)NNC(=O)C(C)(C)CC(C)C)s1 CC(C)[*:1] Cc1ccc(s1)C(=O)NNC(=O)C(C)(C)C[*:1]
Cc1ccc(C(=O)NNC(=O)C(C)(C)CC(C)C)s1 CC(C)C[*:1] Cc1ccc(s1)C(=O)NNC(=O)C(C)(C)[*:1]
Cc1ccc(C(=O)NNC(=O)C(C)(C)CC(C)C)s1 Cc1ccc(s1)[*:1] CC(C)CC(C)(C)C(=O)NNC(=O)[*:1]
COC[C@@H](C)CNC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 COC[*:1] C[C@@H](CNC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)[*:1]
COC[C@@H](C)CNC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 COC[C@@H](C)[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)NC[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccccc2)N1CCc1ccccc1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccccc2)N1CCc1ccccc1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccccc1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccccc1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccccc1
COc1cc(C(=O)N(C)C)ccc1NC(=O)Cc1ccccc1C CN(C)C(=O)[*:1] COc1cc(ccc1NC(=O)Cc1ccccc1C)[*:1]
COc1cc(C(=O)N(C)C)ccc1NC(=O)Cc1ccccc1C Cc1ccccc1[*:1] COc1cc(ccc1NC(=O)C[*:1])C(=O)N(C)C
COc1cc(C(=O)N(C)C)ccc1NC(=O)Cc1ccccc1C Cc1ccccc1C[*:1] COc1cc(ccc1NC(=O)[*:1])C(=O)N(C)C
O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCN1C(=O)OCC(F)(F)F O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1F)[*:1])[C@@H]1CCCN1C(=O)OCC(F)(F)F
O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)C[*:1] O=C(Nc1cc(ccc1F)[N+](=O)[O-])[C@@H]1CCCN1C(=O)O[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)[*:1] O=C(Nc1cc(ccc1F)[N+](=O)[O-])[C@@H]1CCCN1C(=O)OC[*:1]
COc1ccc(OCC(=O)NN2C(=O)c3ccccc3N[C@H]2c2ccc(O)cc2)cc1 COc1ccc(cc1)OC[*:1] O=C1c2ccccc2N[C@@H](c2ccc(O)cc2)N1NC(=O)[*:1]
COc1ccc(OCC(=O)NN2C(=O)c3ccccc3N[C@H]2c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)NN1C(=O)c2ccccc2N[C@@H]1[*:1]
COc1ccc(OCC(=O)NN2C(=O)c3ccccc3N[C@H]2c2ccc(O)cc2)cc1 COc1ccc(cc1)O[*:1] O=C(C[*:1])NN1C(=O)c2ccccc2N[C@H]1c1ccc(O)cc1
COc1ccc(OCC(=O)NN2C(=O)c3ccccc3N[C@H]2c2ccc(O)cc2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])NN1C(=O)c2ccccc2N[C@H]1c1ccc(O)cc1
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 c1cc(ccn1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 CN(C)S(=O)(=O)[*:1] Cn1c(nnc1-c1ccncc1)SCC(=O)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl C[C@H](c1ccccc1Cl)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccc2sc(N(CC[NH+](C)C)C(=O)CSc3ccc(F)cc3)nc2c1C Fc1ccc(cc1)[*:1] Cc1ccc2sc(nc2c1C)N(CC[NH+](C)C)C(=O)CS[*:1]
Cc1ccc2sc(N(CC[NH+](C)C)C(=O)CSc3ccc(F)cc3)nc2c1C Fc1ccc(cc1)SC[*:1] Cc1ccc2sc(nc2c1C)N(CC[NH+](C)C)C(=O)[*:1]
Cc1ccc2sc(N(CC[NH+](C)C)C(=O)CSc3ccc(F)cc3)nc2c1C Fc1ccc(cc1)S[*:1] Cc1ccc2sc(nc2c1C)N(CC[NH+](C)C)C(=O)C[*:1]
CN(CC#CCNC(=O)CSC1CCCC1)Cc1ccccc1 C1CCC(C1)SC[*:1] CN(CC#CCNC(=O)[*:1])Cc1ccccc1
CN(CC#CCNC(=O)CSC1CCCC1)Cc1ccccc1 C1CCC(C1)[*:1] CN(CC#CCNC(=O)CS[*:1])Cc1ccccc1
CN(CC#CCNC(=O)CSC1CCCC1)Cc1ccccc1 C1CCC(C1)S[*:1] CN(CC#CCNC(=O)C[*:1])Cc1ccccc1
CN(CC#CCNC(=O)CSC1CCCC1)Cc1ccccc1 c1ccc(cc1)[*:1] CN(CC#CCNC(=O)CSC1CCCC1)C[*:1]
CN(CC#CCNC(=O)CSC1CCCC1)Cc1ccccc1 c1ccc(cc1)C[*:1] CN(CC#CCNC(=O)CSC1CCCC1)[*:1]
CCc1nn(C)cc1NC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 CCc1nn(C)cc1[*:1] CCN(C(=O)N[*:1])[C@@H](C)c1cc2ccccc2o1
CN(CCOCC1CC1)c1ccc2nnc(C(F)(F)F)n2n1 C1CC1COC[*:1] CN(C[*:1])c1ccc2nnc(n2n1)C(F)(F)F
CN(CCOCC1CC1)c1ccc2nnc(C(F)(F)F)n2n1 C(C[*:1])OCC1CC1 CN(c1ccc2nnc(n2n1)C(F)(F)F)[*:1]
CN(CCOCC1CC1)c1ccc2nnc(C(F)(F)F)n2n1 C1CC1CO[*:1] CN(CC[*:1])c1ccc2nnc(n2n1)C(F)(F)F
CN(CCOCC1CC1)c1ccc2nnc(C(F)(F)F)n2n1 FC(F)(F)[*:1] CN(CCOCC1CC1)c1ccc2nnc(n2n1)[*:1]
CN(CCOCC1CC1)c1ccc2nnc(C(F)(F)F)n2n1 C1CC1[*:1] CN(CCOC[*:1])c1ccc2nnc(n2n1)C(F)(F)F
CN(CCOCC1CC1)c1ccc2nnc(C(F)(F)F)n2n1 C1CC1C[*:1] CN(CCO[*:1])c1ccc2nnc(n2n1)C(F)(F)F
FC(F)(F)c1ccccc1CN(Cc1cnc[nH]1)C1CCCC1 C1CCC(C1)[*:1] FC(F)(F)c1ccccc1CN(Cc1cnc[nH]1)[*:1]
FC(F)(F)c1ccccc1CN(Cc1cnc[nH]1)C1CCCC1 FC(F)(F)[*:1] c1ccc(c(c1)CN(Cc1cnc[nH]1)C1CCCC1)[*:1]
FC(F)(F)c1ccccc1CN(Cc1cnc[nH]1)C1CCCC1 c1ncc(C[*:1])[nH]1 FC(F)(F)c1ccccc1CN(C1CCCC1)[*:1]
FC(F)(F)c1ccccc1CN(Cc1cnc[nH]1)C1CCCC1 c1ncc([nH]1)[*:1] FC(F)(F)c1ccccc1CN(C[*:1])C1CCCC1
CCCS(=O)(=O)CC(=O)Nc1c(C)cccc1C(C)C CCCS(=O)(=O)[*:1] Cc1cccc(c1NC(=O)C[*:1])C(C)C
CCCS(=O)(=O)CC(=O)Nc1c(C)cccc1C(C)C CC(C)[*:1] CCCS(=O)(=O)CC(=O)Nc1c(C)cccc1[*:1]
CCCS(=O)(=O)CC(=O)Nc1c(C)cccc1C(C)C CCC[*:1] Cc1cccc(c1NC(=O)CS(=O)(=O)[*:1])C(C)C
CCc1ccccc1NC(=O)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 CCc1ccccc1[*:1] O=C(NCCc1c[nH]c2ccc(Cl)cc12)C(=O)N[*:1]
O[C@H](C[C@H]1COCCN1Cc1cnc2cnccn12)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](C[C@H]1COCCN1Cc1cnc2cnccn12)[*:1]
O[C@H](C[C@H]1COCCN1Cc1cnc2cnccn12)c1ccccc1 O[C@H](c1ccccc1)[*:1] c1cn2c(cnc2cn1)CN1CCOC[C@@H]1C[*:1]
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)C1 FC(F)(F)[*:1] C[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(cc1)[S@@](=O)[*:1]
N#Cc1c(SCc2ccccc2)sc2c([O-])cc(=O)[nH]c12 c1ccc(cc1)[*:1] N#Cc1c(SC[*:1])sc2c([O-])cc(=O)[nH]c12
N#Cc1c(SCc2ccccc2)sc2c([O-])cc(=O)[nH]c12 c1ccc(cc1)C[*:1] N#Cc1c(S[*:1])sc2c([O-])cc(=O)[nH]c12
COC(=O)Nc1ccc(OC(=O)c2cc(C)n(-c3ccccc3)n2)cc1 COC(=O)N[*:1] Cc1cc(nn1-c1ccccc1)C(=O)Oc1ccc(cc1)[*:1]
COC(=O)Nc1ccc(OC(=O)c2cc(C)n(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] COC(=O)Nc1ccc(cc1)OC(=O)c1cc(C)n(n1)[*:1]
CC(=O)Nc1ccc(F)c(C(=O)Nc2ccccc2Br)c1 Brc1ccccc1[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)N[*:1]
CC(=O)Nc1ccc(F)c(C(=O)Nc2ccccc2Br)c1 CC(=O)N[*:1] O=C(Nc1ccccc1Br)c1cc(ccc1F)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N Clc1ccc(cc1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(n1N)[*:1]
C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C2CCCCC2)C1=O C1CCC(CC1)[*:1] C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C1=O)[*:1]
O=C1[C@H]2CCCCN2C(=O)CN1CCc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C1[C@H]2CCCCN2C(=O)CN1CC[*:1]
CN(CCOc1ccc(Cl)cc1)C(=O)CCc1cccnc1 c1cncc(c1)[*:1] CN(CCOc1ccc(Cl)cc1)C(=O)CC[*:1]
CN(CCOc1ccc(Cl)cc1)C(=O)CCc1cccnc1 c1cncc(c1)C[*:1] CN(CCOc1ccc(Cl)cc1)C(=O)C[*:1]
CN(CCOc1ccc(Cl)cc1)C(=O)CCc1cccnc1 Clc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)CCc1cccnc1
COc1ccc(C[NH2+]Cc2csc(Br)c2)cc1OC Brc1cc(cs1)[*:1] COc1ccc(cc1OC)C[NH2+]C[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnc[nH]2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nn(cc1C(=O)Nc1nnc[nH]1)[*:1]
CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 O=C(N1CCCCC1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1[*:1])c1cccc(O)c1
CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 Oc1cccc(c1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)N1CCCCC1)[*:1]
Cc1ccncc1NC(=O)/C=C/SCc1ccco1 c1coc(c1)C[*:1] Cc1ccncc1NC(=O)/C=C/S[*:1]
Cc1ccncc1NC(=O)/C=C/SCc1ccco1 c1coc(c1)[*:1] Cc1ccncc1NC(=O)/C=C/SC[*:1]
COc1cc(-c2nc(-c3ccc(O)c([N+](=O)[O-])c3)n[nH]2)cc(OC)c1OC O=[N+]([O-])[*:1] COc1cc(cc(OC)c1OC)-c1nc(n[nH]1)-c1ccc(O)c(c1)[*:1]
O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1ccnnc1 c1cc(cnn1)[*:1] O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)[*:1]
C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CN1c1ccccc1 O=[N+]([O-])[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)Nc1ccc(cn1)[*:1]
C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1[*:1])Nc1ccc(cn1)[N+](=O)[O-]
CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2n(C)c1=O CCOC(=O)[*:1] Cn1c(=O)c(cc2ccccc21)[C@@H]1c2c(O[C@H]1[*:1])c1ccccc1oc2=O
Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)Cc2cccc3ccccc23)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)Cc1cccc2ccccc12)[*:1]
Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)Cc2cccc3ccccc23)CC1 c1ccc2c(cccc2c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1N1CCN(CC1)C(=O)C[*:1]
CCn1nc(C)c(CNC(=O)c2nn(CC)c3ccc(Cl)cc3c2=O)c1C CCn1nc(C)c(c1C)[*:1] CCn1nc(C(=O)NC[*:1])c(=O)c2cc(Cl)ccc21
COc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3C)no2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)S(=O)(=O)Cc1nc(no1)[*:1]
COc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3C)no2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1-c1noc(CS(=O)(=O)[*:1])n1
COc1ccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3N3CCCN23)cc1 Clc1cccc(Cl)c1[*:1] COc1ccc(cc1)[C@@H]1[C@H]2C(=O)N(C(=O)[C@H]2N2CCCN12)[*:1]
COc1ccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3N3CCCN23)cc1 COc1ccc(cc1)[*:1] O=C1[C@@H]2[C@H](C(=O)N1c1c(Cl)cccc1Cl)[C@H](N1CCCN21)[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 O=c1[nH]c(nc2ccccc12)[*:1] CN(C[*:1])C(=O)c1csc(c1)S(=O)(=O)N1CCc2ccccc2C1
Cc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)NCc3ccc(Br)cc3)c(=O)n2n1 Brc1ccc(cc1)[*:1] Cc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)NC[*:1])c(=O)n2n1
Cc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)NCc3ccc(Br)cc3)c(=O)n2n1 Brc1ccc(cc1)C[*:1] Cc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)N[*:1])c(=O)n2n1
Cc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)NCc3ccc(Br)cc3)c(=O)n2n1 Cc1ccccc1[*:1] Cc1c(CCC(=O)NCc2ccc(Br)cc2)c(=O)n2nc(cc2n1C)[*:1]
Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N1CCC(CC1)c1nc(no1)-c1ccccc1)[*:1]
Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)N2CCC(CC2)c2nc(no2)[*:1])c(C)c1
CCc1noc(CCCC(=O)Nc2ccc3c(c2)CC(=O)N3)n1 CCc1noc(n1)[*:1] O=C(CCC[*:1])Nc1ccc2NC(=O)Cc2c1
CC[C@@H](c1ccccc1)[S@](=O)Cc1csc(COC)n1 COC[*:1] CC[C@@H](c1ccccc1)[S@](=O)Cc1csc(n1)[*:1]
CC[C@@H](c1ccccc1)[S@](=O)Cc1csc(COC)n1 c1ccc(cc1)[*:1] CC[C@@H]([S@](=O)Cc1csc(COC)n1)[*:1]
Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)NC3CC3)ccc21 O=S(=O)(NC1CC1)[*:1] Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(ccc21)[*:1]
Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)NC3CC3)ccc21 O=C(N1CCCC1)[*:1] Cn1c(=O)n(CC[*:1])c(=O)c2cc(ccc21)S(=O)(=O)NC1CC1
Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)NC3CC3)ccc21 O=C(CC[*:1])N1CCCC1 Cn1c(=O)n(c(=O)c2cc(ccc21)S(=O)(=O)NC1CC1)[*:1]
Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)NC3CC3)ccc21 O=C(C[*:1])N1CCCC1 Cn1c(=O)n(C[*:1])c(=O)c2cc(ccc21)S(=O)(=O)NC1CC1
Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)NC3CC3)ccc21 C1CC1[*:1] Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(ccc21)S(=O)(=O)N[*:1]
CC(C)Oc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 CC(C)O[*:1] O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(nc1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 c1ccc(nc1)[*:1] CC(C)Oc1ccc(cn1)C(=O)Nc1cccc(C#C[*:1])c1
CC(C)Oc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 C(#C[*:1])c1ccccn1 CC(C)Oc1ccc(cn1)C(=O)Nc1cccc(c1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 CC(C)[*:1] O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(nc1)O[*:1]
C=CC[NH2+]Cc1ccc(C)o1 C=CC[*:1] Cc1ccc(C[NH2+][*:1])o1
CC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)C(F)(F)F
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1F CCC[*:1] Cc1ccc(F)c(c1)[N-]S(=O)(=O)c1ccccc1C(=O)N(C)C[*:1]
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1F Cc1ccc(F)c(c1)[*:1] CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-][*:1]
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1F CCCC[*:1] Cc1ccc(F)c(c1)[N-]S(=O)(=O)c1ccccc1C(=O)N(C)[*:1]
CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1F CCCCN(C)C(=O)[*:1] Cc1ccc(F)c(c1)[N-]S(=O)(=O)c1ccccc1[*:1]
CCS(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1 CCS(=O)(=O)[*:1] Cn1nc(ccc1=O)C(=O)Nc1ccc(cc1)[*:1]
C/C=C(/C)C(=O)N1CC[NH+](C)Cc2ccccc21 CC=C(C)[*:1] C[NH+]1CCN(C(=O)[*:1])c2ccccc2C1
CCCCCN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F CCC[*:1] CN(CC[*:1])S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F
CCCCCN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F CCCCC[*:1] CN(S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)[*:1]
CCCCCN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F O=C([O-])[*:1] CCCCCN(C)S(=O)(=O)c1cc(Cl)cc(c1F)[*:1]
CCCCCN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F CCCC[*:1] CN(C[*:1])S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F
Cc1ccccc1C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O Cc1ccccc1C(=O)N[*:1] O=C1N(Cc2ccco2)C(=N[C@@]1(C(F)(F)F)[*:1])c1ccccc1
Cc1ccccc1C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O FC(F)(F)[*:1] Cc1ccccc1C(=O)N[C@]1(N=C(c2ccccc2)N(Cc2ccco2)C1=O)[*:1]
Cc1ccccc1C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O c1coc(c1)C[*:1] Cc1ccccc1C(=O)N[C@]1(N=C(c2ccccc2)N(C1=O)[*:1])C(F)(F)F
Cc1ccccc1C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O Cc1ccccc1[*:1] O=C1N(Cc2ccco2)C(=N[C@@]1(NC(=O)[*:1])C(F)(F)F)c1ccccc1
Cc1ccccc1C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O c1ccc(cc1)[*:1] Cc1ccccc1C(=O)N[C@]1(N=C(N(Cc2ccco2)C1=O)[*:1])C(F)(F)F
Cc1ccccc1C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O c1coc(c1)[*:1] Cc1ccccc1C(=O)N[C@]1(N=C(c2ccccc2)N(C[*:1])C1=O)C(F)(F)F
CCN(C(=O)C[S@@](=O)Cc1nc(C)cs1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)C[S@@](=O)Cc1nc(C)cs1)[*:1]
CCN(C(=O)C[S@@](=O)Cc1nc(C)cs1)c1ccccc1 Cc1csc(n1)[*:1] CCN(C(=O)C[S@@](=O)C[*:1])c1ccccc1
CCN(C(=O)C[S@@](=O)Cc1nc(C)cs1)c1ccccc1 Cc1csc(C[*:1])n1 CCN(C(=O)C[S@@](=O)[*:1])c1ccccc1
NC(=S)c1ccc(C(=O)Nc2ccccc2)cc1 NC(=S)[*:1] O=C(Nc1ccccc1)c1ccc(cc1)[*:1]
NC(=S)c1ccc(C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=S)c1ccc(cc1)C(=O)N[*:1]
CCc1ccc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)cc1 c1nnc2sc(nn12)[*:1] CCc1ccc(cc1)C(=O)Nc1cc(ccc1OC)[*:1]
CCc1ccc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)[*:1])-c1nn2cnnc2s1
O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccccc1F C1CN(CCO1)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1F
O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccccc1F C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccccc1F
O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1ccc(cc1)CN1CCOCC1)[*:1]
COc1ccc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
COc1ccc2[nH]cc(CCNC(=O)C3CCN(c4ncnc5[nH]cnc45)CC3)c2c1 c1nc(c2nc[nH]c2n1)[*:1] COc1ccc2[nH]cc(CCNC(=O)C3CCN(CC3)[*:1])c2c1
CNC(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O CNC(=O)C[*:1] O=c1n(nc(-c2ccccc2)n1[*:1])-c1ccccc1Cl
CNC(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O CNC(=O)[*:1] O=c1n(nc(-c2ccccc2)n1C[*:1])-c1ccccc1Cl
CNC(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O c1ccc(cc1)[*:1] CNC(=O)Cn1c(nn(-c2ccccc2Cl)c1=O)[*:1]
CNC(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O Clc1ccccc1[*:1] CNC(=O)Cn1c(nn(c1=O)[*:1])-c1ccccc1
Cc1cccc(C)c1OC1CCN(Cc2cnc(N3CCOCC3)nc2)CC1 Cc1cccc(C)c1O[*:1] c1nc(ncc1CN1CCC(CC1)[*:1])N1CCOCC1
Cc1cccc(C)c1OC1CCN(Cc2cnc(N3CCOCC3)nc2)CC1 C1CN(CCO1)[*:1] Cc1cccc(C)c1OC1CCN(CC1)Cc1cnc(nc1)[*:1]
Cc1cccc(C)c1OC1CCN(Cc2cnc(N3CCOCC3)nc2)CC1 Cc1cccc(C)c1[*:1] c1nc(ncc1CN1CCC(CC1)O[*:1])N1CCOCC1
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 Fc1cccc(c1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 Fc1cccc(c1)C[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N([C@H]1CCS(=O)(=O)C1)[*:1]
CCc1nn(C)c(Cl)c1CNc1cc(-c2nnco2)ccc1C c1nnc(o1)[*:1] CCc1nn(C)c(Cl)c1CNc1cc(ccc1C)[*:1]
NC(=O)[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc2cccnc12 NC(=O)[*:1] O=C(Nc1cccc2cccnc12)N[C@@H]1CCCC[C@H]1[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)N[C@@H]1CCCCC[C@@H]1CO CC(C)(C)[*:1] O=C(Nc1ccnn1[*:1])C(=O)N[C@@H]1CCCCC[C@@H]1CO
Cc1n[nH]c2cc(NC(=O)CCc3ccncc3)ccc12 c1cc(ccn1)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)CC[*:1]
Cc1n[nH]c2cc(NC(=O)CCc3ccncc3)ccc12 c1cc(ccn1)C[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)C[*:1]
CC(=O)c1sc(NC(=O)c2cccn2C)nc1-c1ccccc1 CC(=O)[*:1] Cn1cccc1C(=O)Nc1nc(-c2ccccc2)c(s1)[*:1]
CC(=O)c1sc(NC(=O)c2cccn2C)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1sc(nc1[*:1])NC(=O)c1cccn1C
CC(=O)c1sc(NC(=O)c2cccn2C)nc1-c1ccccc1 Cn1cccc1[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)[*:1]
C[NH2+][C@@]1(CO)CC[C@@H](OCCC(C)(C)C)C1 CC(C)(C)C[*:1] C[NH2+][C@@]1(CO)CC[C@H](C1)OC[*:1]
C[NH2+][C@@]1(CO)CC[C@@H](OCCC(C)(C)C)C1 CC(C)(C)[*:1] C[NH2+][C@@]1(CO)CC[C@H](C1)OCC[*:1]
Cc1csc([C@@H](NC(=O)N2CCC[C@@H]2c2cccc(C)c2C)C2CC2)n1 Cc1csc(n1)[*:1] Cc1cccc(c1C)[C@H]1CCCN1C(=O)N[C@@H](C1CC1)[*:1]
Cc1csc([C@@H](NC(=O)N2CCC[C@@H]2c2cccc(C)c2C)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(C)c1C)[*:1]
Cc1csc([C@@H](NC(=O)N2CCC[C@@H]2c2cccc(C)c2C)C2CC2)n1 Cc1cccc(c1C)[*:1] Cc1csc(n1)[C@@H](NC(=O)N1CCC[C@H]1[*:1])C1CC1
CC(C)C[C@@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-] CC(C)C[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@@H](C(=O)[O-])[*:1]
CC(C)C[C@@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-] CC(C)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@H](C[*:1])C(=O)[O-]
CC(C)C[C@@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(N2C(=O)S/C(=C\c3ccc(O)cc3)C2=O)c(OC)c1 Oc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)N1C(=O)SC(=C[*:1])C1=O
C[C@@H](OC(=O)c1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](OC(=O)c1ccc(c(F)c1)[*:1])C1CCOCC1
C[C@@H](OC(=O)c1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](OC(=O)c1ccc(c(F)c1)N1CCOCC1)[*:1]
CC[NH+](Cc1cccc(Cl)n1)C1CCCC1 C1CCC(C1)[*:1] CC[NH+](Cc1cccc(Cl)n1)[*:1]
Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] Cc1noc(C)c1CC(=O)Nc1ccc(cc1)S(=O)(=O)[*:1]
Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 Cc1noc(C)c1[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)C(F)F
Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] Cc1noc(C)c1CC(=O)Nc1ccc(cc1)[*:1]
COc1cc(C(=O)NCc2cnn(C)c2)cc(OC)c1OC(F)F FC(F)[*:1] COc1cc(cc(OC)c1O[*:1])C(=O)NCc1cnn(C)c1
COc1cc(C(=O)NCc2cnn(C)c2)cc(OC)c1OC(F)F Cn1cc(cn1)[*:1] COc1cc(cc(OC)c1OC(F)F)C(=O)NC[*:1]
COc1cc(C(=O)NCc2cnn(C)c2)cc(OC)c1OC(F)F FC(F)O[*:1] COc1cc(cc(OC)c1[*:1])C(=O)NCc1cnn(C)c1
COc1cc(C(=O)NCc2cnn(C)c2)cc(OC)c1OC(F)F Cn1cc(cn1)C[*:1] COc1cc(cc(OC)c1OC(F)F)C(=O)N[*:1]
Cc1cc(-c2ccccc2)nc(SCC(=O)NCc2ccco2)n1 c1coc(c1)[*:1] Cc1cc(nc(n1)SCC(=O)NC[*:1])-c1ccccc1
Cc1cc(-c2ccccc2)nc(SCC(=O)NCc2ccco2)n1 c1coc(c1)C[*:1] Cc1cc(nc(n1)SCC(=O)N[*:1])-c1ccccc1
Cc1cc(-c2ccccc2)nc(SCC(=O)NCc2ccco2)n1 c1ccc(cc1)[*:1] Cc1cc(nc(n1)SCC(=O)NCc1ccco1)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)N(C)Cc3nnc(C)n3C)c2)n1 Cc1nnc(C[*:1])n1C CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)N(C)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)N(C)Cc3nnc(C)n3C)c2)n1 Cc1nnc(n1C)[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)N(C)C[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)N(C)Cc3nnc(C)n3C)c2)n1 CCc1noc(n1)[*:1] Cc1ccc(cc1NC(=O)N(C)Cc1nnc(C)n1C)[*:1]
Cc1cc(C)n(CC2CCN(C(=O)c3ccc4nnnn4c3)CC2)n1 Cc1cc(C)n(C[*:1])n1 O=C(c1ccc2nnnn2c1)N1CCC(CC1)[*:1]
Cc1cc(C)n(CC2CCN(C(=O)c3ccc4nnnn4c3)CC2)n1 Cc1cc(C)n(n1)[*:1] O=C(c1ccc2nnnn2c1)N1CCC(CC1)C[*:1]
CCO[C@H]1C[C@H]1C(=O)N[C@@H](CO)c1ccc(CC)cc1 CCO[*:1] CCc1ccc(cc1)[C@H](CO)NC(=O)[C@@H]1C[C@@H]1[*:1]
N#CCOc1ccccc1C1=NO[C@@H]2[C@@H]3C[C@@H]([C@H]4C(=O)N(Cc5cccnc5)C(=O)[C@@H]34)[C@H]12 N#CC[*:1] O=C1[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1Cc1cccnc1)[C@@H]1C(=NO[C@H]31)c1ccccc1O[*:1]
N#CCOc1ccccc1C1=NO[C@@H]2[C@@H]3C[C@@H]([C@H]4C(=O)N(Cc5cccnc5)C(=O)[C@@H]34)[C@H]12 c1cncc(c1)[*:1] N#CCOc1ccccc1C1=NO[C@@H]2[C@@H]3C[C@@H]([C@H]4C(=O)N(C[*:1])C(=O)[C@@H]34)[C@H]12
N#CCOc1ccccc1C1=NO[C@@H]2[C@@H]3C[C@@H]([C@H]4C(=O)N(Cc5cccnc5)C(=O)[C@@H]34)[C@H]12 N#CCOc1ccccc1[*:1] O=C1[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1Cc1cccnc1)[C@@H]1C(=NO[C@H]31)[*:1]
N#CCOc1ccccc1C1=NO[C@@H]2[C@@H]3C[C@@H]([C@H]4C(=O)N(Cc5cccnc5)C(=O)[C@@H]34)[C@H]12 N#CCO[*:1] O=C1[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1Cc1cccnc1)[C@@H]1C(=NO[C@H]31)c1ccccc1[*:1]
N#CCOc1ccccc1C1=NO[C@@H]2[C@@H]3C[C@@H]([C@H]4C(=O)N(Cc5cccnc5)C(=O)[C@@H]34)[C@H]12 c1cncc(c1)C[*:1] N#CCOc1ccccc1C1=NO[C@@H]2[C@@H]3C[C@@H]([C@H]4C(=O)N(C(=O)[C@@H]34)[*:1])[C@H]12
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)[*:1]
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccco1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)NC[*:1])c1ccco1
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccco1 Clc1ccc(cc1)C[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1ccco1
CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(C)=O c1csc(c1)C[*:1] CC[C@@](C)(C(=O)NC1CCCCC1)N(C(C)=O)[*:1]
CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(C)=O c1csc(c1)[*:1] CC[C@@](C)(C(=O)NC1CCCCC1)N(C[*:1])C(C)=O
CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(C)=O C1CCC(CC1)[*:1] CC[C@@](C)(C(=O)N[*:1])N(Cc1cccs1)C(C)=O
CCC[C@@H](C)C(=O)N(c1ccc(C[NH3+])cc1)C1CC1 CCC[C@@H](C)[*:1] [NH3+]Cc1ccc(cc1)N(C(=O)[*:1])C1CC1
CCC[C@@H](C)C(=O)N(c1ccc(C[NH3+])cc1)C1CC1 C1CC1[*:1] CCC[C@@H](C)C(=O)N(c1ccc(cc1)C[NH3+])[*:1]
CCC[C@@H](C)C(=O)N(c1ccc(C[NH3+])cc1)C1CC1 CCC[*:1] C[C@@H](C(=O)N(c1ccc(cc1)C[NH3+])C1CC1)[*:1]
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)CCc2c[nH]c3ccccc23)C1 c1ccc2c(c[nH]c2c1)[*:1] CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)CC[*:1])C1
Cc1ccc(OCC#CCNC(=O)Cc2c[nH]c3ccccc23)cn1 Cc1ccc(cn1)O[*:1] O=C(Cc1c[nH]c2ccccc12)NCC#CC[*:1]
Cc1ccc(OCC#CCNC(=O)Cc2c[nH]c3ccccc23)cn1 Cc1ccc(cn1)[*:1] O=C(Cc1c[nH]c2ccccc12)NCC#CCO[*:1]
CC(C)(C)c1ccc(C(=O)Nn2cnc3ccccc3c2=O)cc1 CC(C)(C)[*:1] O=C(Nn1cnc2ccccc2c1=O)c1ccc(cc1)[*:1]
Cc1cc(C)c(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)c(C)c1 CC(C)[*:1] Cc1cc(C)c(C(=O)NC[C@H]2CCO[C@H]2[*:1])c(C)c1
C[C@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccccc1Cl CS(=O)(=O)[*:1] C[C@H](Nc1cccc(c1[N+](=O)[O-])[*:1])c1ccccc1Cl
C[C@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](Nc1cccc(c1[N+](=O)[O-])S(C)(=O)=O)[*:1]
C[C@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccccc1Cl O=[N+]([O-])[*:1] C[C@H](Nc1cccc(c1[*:1])S(C)(=O)=O)c1ccccc1Cl
CCC(=O)N1CCC([NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 Clc1cnc(c(Cl)c1)[*:1] CCC(=O)N1CCC(CC1)[NH+]1CCN(CC1)[*:1]
COC(=O)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1C Fc1cccc(c1)[*:1] COC(=O)c1cccc(NS(=O)(=O)[*:1])c1C
COC(=O)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NS(=O)(=O)c1cccc(F)c1
CC[C@@](C)(NC(=O)Cc1csc(-c2cnccn2)n1)C(=O)OC c1cnc(cn1)[*:1] CC[C@@](C)(NC(=O)Cc1csc(n1)[*:1])C(=O)OC
CC[C@@](C)(NC(=O)Cc1csc(-c2cnccn2)n1)C(=O)OC COC(=O)[*:1] CC[C@@](C)(NC(=O)Cc1csc(n1)-c1cnccn1)[*:1]
C[C@@H]1CCC[C@@]1(C[NH2+]C1CC1)c1ccccc1Br C1CC1[*:1] C[C@@H]1CCC[C@@]1(C[NH2+][*:1])c1ccccc1Br
Cc1sc2ncnc(Sc3nnc(-c4ccccc4)o3)c2c1C c1ccc(cc1)[*:1] Cc1sc2ncnc(Sc3nnc(o3)[*:1])c2c1C
O=C(CC1CCC1)Nc1ccc(N2CCNC2=O)cc1 O=C1NCCN1[*:1] O=C(CC1CCC1)Nc1ccc(cc1)[*:1]
O=C(CC1CCC1)Nc1ccc(N2CCNC2=O)cc1 C1CC(C1)C[*:1] O=C1NCCN1c1ccc(cc1)NC(=O)[*:1]
O=C(CC1CCC1)Nc1ccc(N2CCNC2=O)cc1 C1CC(C1)[*:1] O=C(C[*:1])Nc1ccc(cc1)N1CCNC1=O
CC(C)N(C[C@@H]1C[C@H]1C)C(=O)NCCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C[C@@H]1C[C@H]1C)C(=O)NCCS(=O)(=O)[*:1]
CC(C)N(C[C@@H]1C[C@H]1C)C(=O)NCCS(=O)(=O)c1ccccc1 CC(C)[*:1] C[C@@H]1C[C@H]1CN(C(=O)NCCS(=O)(=O)c1ccccc1)[*:1]
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)cc1 COc1ccc(cc1)[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(c1)S(=O)(=O)N[*:1]
CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCCC[C@H]2C)c1C CCOC(=O)[*:1] Cc1[nH]c(c(C)c1CCC(=O)N1CCCC[C@H]1C)[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)C[C@H](C)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)NC(=O)C[C@H](C)[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)C[C@H](C)c2cccc(F)c2)cc1 COc1ccc(cc1)[*:1] C[C@@H](CC(=O)N[C@@H](C)[C@H](O)[*:1])c1cccc(F)c1
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2c2nc(-c3ccc(Br)cc3)no2)cc1 Cc1ccc(cc1)[*:1] O=C1CC[C@H](c2nc(no2)-c2ccc(Br)cc2)N1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2c2nc(-c3ccc(Br)cc3)no2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1C(=O)CC[C@@H]1c1nc(no1)[*:1]
Cc1nc(C2CCN(C(=O)Nc3ccc([S@@](C)=O)c(F)c3)CC2)no1 Cc1nc(no1)[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)N1CCC(CC1)[*:1]
C[NH+](C)C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1 C1CCN(C1)[*:1] C[NH+](C)C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1c1ccnc(n1)[*:1]
C[NH+](C)C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1 Fc1ccc(cc1F)[*:1] C[NH+](C)C[C@@H]1CN(C[C@H]1c1ccnc(n1)N1CCCC1)C[*:1]
C[NH+](C)C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1 Fc1ccc(cc1F)C[*:1] C[NH+](C)C[C@@H]1CN(C[C@H]1c1ccnc(n1)N1CCCC1)[*:1]
CCOC(=O)NC1=c2c(OC)cccc2=[NH+][C@H]1C(=O)OC CCOC(=O)N[*:1] COC(=O)[C@@H]1[NH+]=c2cccc(OC)c2=C1[*:1]
CCOC(=O)NC1=c2c(OC)cccc2=[NH+][C@H]1C(=O)OC COC(=O)[*:1] CCOC(=O)NC1=c2c(cccc2=[NH+][C@@H]1[*:1])OC
CCCN1CCO[C@H](c2nc(CC(=O)[O-])cs2)C1 CCC[*:1] O=C([O-])Cc1csc(n1)[C@@H]1CN(CCO1)[*:1]
CCCN1CCO[C@H](c2nc(CC(=O)[O-])cs2)C1 O=C([O-])[*:1] CCCN1CCO[C@@H](C1)c1nc(cs1)C[*:1]
CCCN1CCO[C@H](c2nc(CC(=O)[O-])cs2)C1 O=C([O-])C[*:1] CCCN1CCO[C@@H](C1)c1nc(cs1)[*:1]
C[C@@H](C[NH+]1CCCCC1)NC(=O)CCc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)CCc1nncn1[*:1]
CS(=O)(=O)c1ccc(NC2CCCC2)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CS(=O)(=O)c1ccc(NC2CCCC2)c(c1)[*:1]
CS(=O)(=O)c1ccc(NC2CCCC2)c(S(C)(=O)=O)c1 C1CCC(C1)N[*:1] CS(=O)(=O)c1ccc(c(c1)S(C)(=O)=O)[*:1]
CS(=O)(=O)c1ccc(NC2CCCC2)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CS(=O)(=O)c1cc(ccc1NC1CCCC1)[*:1]
CS(=O)(=O)c1ccc(NC2CCCC2)c(S(C)(=O)=O)c1 C1CCC(C1)[*:1] CS(=O)(=O)c1ccc(N[*:1])c(c1)S(C)(=O)=O
Cc1cc(F)cc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 C1CC1[*:1] Cc1cc(F)cc(c1)C(=O)N[C@@H](C)c1ccc(cc1)NC(=O)[*:1]
Cc1cc(F)cc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 Cc1cc(F)cc(c1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)NC(=O)C1CC1
Cc1cc(F)cc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 O=C(N[*:1])C1CC1 Cc1cc(F)cc(c1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCCC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccc(C(C)(C)C)cc4)c3n2)C1 CC(C)(C)[*:1] CCCC(=O)N1CCC[C@@H](C1)c1nc(O)c2nnn(Cc3ccc(cc3)[*:1])c2n1
CCCC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccc(C(C)(C)C)cc4)c3n2)C1 CC(C)(C)c1ccc(cc1)[*:1] CCCC(=O)N1CCC[C@@H](C1)c1nc(O)c2nnn(C[*:1])c2n1
CCCC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccc(C(C)(C)C)cc4)c3n2)C1 CCC[*:1] CC(C)(C)c1ccc(cc1)Cn1nnc2c(O)nc(nc21)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccccc1OCC1CC1 C1CC1CO[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccccc1[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccccc1OCC1CC1 C1CC1[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccccc1OC[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccccc1OCC1CC1 C1CC1C[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccccc1O[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccccc1OCC1CC1 C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)c1ccccc1OCC1CC1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccccc1OCC1CC1 CC(C)[*:1] O=C(c1ccccc1OCC1CC1)N(C[C@H]1CCCCO1)[*:1]
O=S(=O)(c1ccccc1)N1CCC[NH+](Cc2ccc(-c3cccnc3)o2)CC1 c1ccc(cc1)[*:1] O=S(=O)(N1CCC[NH+](CC1)Cc1ccc(o1)-c1cccnc1)[*:1]
O=S(=O)(c1ccccc1)N1CCC[NH+](Cc2ccc(-c3cccnc3)o2)CC1 c1cncc(c1)[*:1] O=S(=O)(c1ccccc1)N1CCC[NH+](CC1)Cc1ccc(o1)[*:1]
CCOc1ccccc1NCCn1nc2ccccn2c1=O CCO[*:1] O=c1n(CCNc2ccccc2[*:1])nc2ccccn12
Cc1ccc2[nH]c(-c3ccccc3NC(=O)c3cccs3)nc2c1 c1csc(c1)[*:1] Cc1ccc2[nH]c(nc2c1)-c1ccccc1NC(=O)[*:1]
Cc1ccc2[nH]c(-c3ccccc3NC(=O)c3cccs3)nc2c1 O=C(N[*:1])c1cccs1 Cc1ccc2[nH]c(nc2c1)-c1ccccc1[*:1]
CN(CC(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)Nc1sc2CCCc2c1C#N)[*:1]
O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 O=C(c1ccc2OCOc2c1)[*:1] O=C1Nc2ccccc2[C@@]12[C@@H]([C@H](c1ccccc1)[C@H]1CSCN12)[*:1]
O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 c1ccc(cc1)[*:1] O=C(c1ccc2OCOc2c1)[C@@H]1[C@H]([C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12)[*:1]
O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 c1cc2OCOc2cc1[*:1] O=C1Nc2ccccc2[C@@]12[C@H](C(=O)[*:1])[C@H](c1ccccc1)[C@H]1CSCN12
CCC[NH+]1CCN(c2ccccc2C[NH+](C)CC(C)(C)O)CC1 CCC[*:1] C[NH+](Cc1ccccc1N1CC[NH+](CC1)[*:1])CC(C)(C)O
CCC[NH+]1CCN(c2ccccc2C[NH+](C)CC(C)(C)O)CC1 CC(C)(O)[*:1] CCC[NH+]1CCN(CC1)c1ccccc1C[NH+](C)C[*:1]
CCC[NH+]1CCN(c2ccccc2C[NH+](C)CC(C)(C)O)CC1 CC(C)(O)C[*:1] CCC[NH+]1CCN(CC1)c1ccccc1C[NH+](C)[*:1]
CC[C@@H](CCO)CNS(=O)(=O)c1cc(N)cc(F)c1F CC[C@@H](CCO)[*:1] Nc1cc(F)c(F)c(c1)S(=O)(=O)NC[*:1]
CC[C@@H](CCO)CNS(=O)(=O)c1cc(N)cc(F)c1F OCC[*:1] CC[C@@H](CNS(=O)(=O)c1cc(N)cc(F)c1F)[*:1]
Cn1ncc2c([O-])nc(C[NH+]3CCCN(c4ccccc4)CC3)nc21 c1ccc(cc1)[*:1] Cn1ncc2c([O-])nc(C[NH+]3CCCN(CC3)[*:1])nc21
CN(Cc1ccccc1OC(F)(F)F)C(=O)NC1CC[NH+](C)CC1 FC(F)(F)O[*:1] CN(Cc1ccccc1[*:1])C(=O)NC1CC[NH+](C)CC1
CN(Cc1ccccc1OC(F)(F)F)C(=O)NC1CC[NH+](C)CC1 FC(F)(F)[*:1] CN(Cc1ccccc1O[*:1])C(=O)NC1CC[NH+](C)CC1
CCc1ccc([C@H](C)C(=O)N2CCN(c3nc(C)ns3)CC2)cc1 CCc1ccc(cc1)[*:1] Cc1nsc(n1)N1CCN(CC1)C(=O)[C@@H](C)[*:1]
CCc1ccc([C@H](C)C(=O)N2CCN(c3nc(C)ns3)CC2)cc1 Cc1nsc(n1)[*:1] CCc1ccc(cc1)[C@H](C)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)s1 Cc1ccc(s1)[*:1] O=C(Cc1c[nH]c2ccccc12)NNC(=O)[*:1]
COc1ccc(S(=O)(=O)CC(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1 Fc1ccc2nc(sc2c1)[*:1] COc1ccc(cc1)S(=O)(=O)CC(=O)N1CCN(CC1)[*:1]
COc1ccc(S(=O)(=O)CC(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])N1CCN(CC1)c1nc2ccc(F)cc2s1
O=C(CCS(=O)(=O)C1CCCC1)N1CCc2c1cccc2[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CCS(=O)(=O)C1CCCC1)N1CCc2c1cccc2[*:1]
O=C(CCS(=O)(=O)C1CCCC1)N1CCc2c1cccc2[N+](=O)[O-] O=S(=O)(C1CCCC1)[*:1] O=C(CC[*:1])N1CCc2c1cccc2[N+](=O)[O-]
O=C(CCS(=O)(=O)C1CCCC1)N1CCc2c1cccc2[N+](=O)[O-] C1CCC(C1)[*:1] O=C(CCS(=O)(=O)[*:1])N1CCc2c1cccc2[N+](=O)[O-]
CCc1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)-n1nc2cc(C)c(cc2n1)NC(=O)[*:1]
CCc1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)cc1 CCc1ccc(cc1)[*:1] Cc1cc2nn(nc2cc1NC(=O)C(F)(F)F)[*:1]
CCc1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)cc1 O=C(N[*:1])C(F)(F)F CCc1ccc(cc1)-n1nc2cc(C)c(cc2n1)[*:1]
CCC[C@H](C)N1C[C@H](C(=O)Nc2ccc(CNC(N)=O)cc2)CC1=O NC(=O)N[*:1] CCC[C@H](C)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)C[*:1]
CCC[C@H](C)N1C[C@H](C(=O)Nc2ccc(CNC(N)=O)cc2)CC1=O CCC[C@H](C)[*:1] NC(=O)NCc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCC[C@H](C)N1C[C@H](C(=O)Nc2ccc(CNC(N)=O)cc2)CC1=O CCC[*:1] C[C@H](N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)CNC(N)=O)[*:1]
CCC[C@H](C)N1C[C@H](C(=O)Nc2ccc(CNC(N)=O)cc2)CC1=O NC(=O)NC[*:1] CCC[C@H](C)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
O=C1c2ccccc2C(=O)N1C[C@H](c1ccco1)[NH+]1CCCCC1 c1coc(c1)[*:1] O=C1c2ccccc2C(=O)N1C[C@H]([NH+]1CCCCC1)[*:1]
O=C(Cc1nccs1)c1ccc(F)c(Cl)c1 c1csc(n1)[*:1] O=C(C[*:1])c1ccc(F)c(Cl)c1
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=C(N1CCCCC1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(c(c1)[*:1])N1CCCC1
COC(=O)c1cc(-c2ccc(Cl)cc2Cl)[nH]n1 COC(=O)[*:1] Clc1ccc(-c2cc(n[nH]2)[*:1])c(Cl)c1
COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)s2)on1 COC(=O)[*:1] O=S(=O)(c1ccc(s1)-c1cc(no1)[*:1])N1CCN(CC1)C1CCCCC1
COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)s2)on1 C1CCC(CC1)[*:1] COC(=O)c1cc(on1)-c1ccc(s1)S(=O)(=O)N1CCN(CC1)[*:1]
COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)s2)on1 COC(=O)c1cc(on1)[*:1] O=S(=O)(c1ccc(s1)[*:1])N1CCN(CC1)C1CCCCC1
C=CCCN1C(=O)C(=O)c2cc(C(F)(F)F)ccc21 C=CC[*:1] O=C1C(=O)N(C[*:1])c2ccc(cc21)C(F)(F)F
C=CCCN1C(=O)C(=O)c2cc(C(F)(F)F)ccc21 FC(F)(F)[*:1] C=CCCN1C(=O)C(=O)c2cc(ccc21)[*:1]
C=CCCN1C(=O)C(=O)c2cc(C(F)(F)F)ccc21 C=CCC[*:1] O=C1C(=O)N(c2ccc(cc21)C(F)(F)F)[*:1]
CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cccc(Cl)c3)cc2C)o1 Clc1cccc(c1)[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)Nc1ccc(cc1C)[*:1]
CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cccc(Cl)c3)cc2C)o1 CNS(=O)(=O)[*:1] Cc1cc(ccc1NC(=O)c1ccc(o1)[*:1])-c1cccc(Cl)c1
CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 CC(C)(C)[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(Cl)c1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(Cl)c1)[*:1]
CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 Clc1cccc(c1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
Cc1ccccc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 Cc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)c1nc2ccccc2s1
COCCNC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 COC[*:1] Cn1nc(-c2ccc(cc2)OCC(=O)NC[*:1])c2ccccc2c1=O
COCCNC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 COCCNC(=O)C[*:1] Cn1nc(-c2ccc(cc2)O[*:1])c2ccccc2c1=O
COCCNC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 COCC[*:1] Cn1nc(-c2ccc(cc2)OCC(=O)N[*:1])c2ccccc2c1=O
COCCNC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 COCCNC(=O)CO[*:1] Cn1nc(-c2ccc(cc2)[*:1])c2ccccc2c1=O
COCCNC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 COCCNC(=O)[*:1] Cn1nc(-c2ccc(cc2)OC[*:1])c2ccccc2c1=O
C[C@@H]1Sc2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2NC1=O Clc1ccc(C[*:1])s1 C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N(C)[*:1]
C[C@@H]1Sc2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2NC1=O Clc1ccc(s1)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N(C)C[*:1]
C[C@H](C(=O)N(C)CC(=O)NC[C@H]1CCCO1)n1cccn1 C1CO[C@H](C1)C[*:1] C[C@H](C(=O)N(C)CC(=O)N[*:1])n1cccn1
C[C@H](C(=O)N(C)CC(=O)NC[C@H]1CCCO1)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)N(C)CC(=O)NC[C@H]1CCCO1)[*:1]
C[C@H](C(=O)N(C)CC(=O)NC[C@H]1CCCO1)n1cccn1 C[C@H](n1cccn1)[*:1] CN(CC(=O)NC[C@H]1CCCO1)C(=O)[*:1]
C[C@H](C(=O)N(C)CC(=O)NC[C@H]1CCCO1)n1cccn1 C1CO[C@H](C1)[*:1] C[C@H](C(=O)N(C)CC(=O)NC[*:1])n1cccn1
COC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])NC1CCCCC1
COC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] COC(=O)c1ccc(cc1)NC(=O)N[*:1]
CCN1C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)CC1=O c1ccc(cc1)C[*:1] CCN1C[C@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
CCN1C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)CC1=O c1ccc(cc1)[*:1] CCN1C[C@H](CC1=O)C(=O)N1CCN(CC1)C[*:1]
C[C@H](NC(=O)Nc1ccccc1S(C)(=O)=O)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)Nc1ccccc1S(C)(=O)=O)[*:1]
C[C@H](NC(=O)Nc1ccccc1S(C)(=O)=O)c1cccs1 CS(=O)(=O)[*:1] C[C@H](NC(=O)Nc1ccccc1[*:1])c1cccs1
C[C@H](NC(=O)Nc1ccccc1S(C)(=O)=O)c1cccs1 C[C@H](c1cccs1)[*:1] CS(=O)(=O)c1ccccc1NC(=O)N[*:1]
O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCO[C@H]([C@@H]2CCCO2)C1 O=C(Nc1ccccc1)[*:1] c1ccc(cc1)[C@@H](N1CCO[C@@H](C1)[C@@H]1CCCO1)[*:1]
O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCO[C@H]([C@@H]2CCCO2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)[C@@H](N1CCO[C@@H](C1)[C@@H]1CCCO1)[*:1]
O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCO[C@H]([C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCO[C@H](C1)[*:1]
O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCO[C@H]([C@@H]2CCCO2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H](c1ccccc1)N1CCO[C@@H](C1)[C@@H]1CCCO1
COc1cccc(CN(C)C(=O)COc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CN(C)C(=O)CO[*:1]
Cc1cc(NCCc2c[nH]c(=O)[nH]c2=O)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] Cc1cc(nc(n1)[*:1])NCCc1c[nH]c(=O)[nH]c1=O
Cc1cc(NCCc2c[nH]c(=O)[nH]c2=O)nc(-c2cccnc2)n1 O=c1[nH]cc(c(=O)[nH]1)[*:1] Cc1cc(nc(n1)-c1cccnc1)NCC[*:1]
CC(C)(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1cccc2c1COC2=O CC(C)(C)[*:1] O=C1OCc2c1cccc2S(=O)(=O)N(C[C@H](O)c1ccccc1)C[*:1]
CC(C)(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1cccc2c1COC2=O CC(C)(C)C[*:1] O=C1OCc2c1cccc2S(=O)(=O)N(C[C@H](O)c1ccccc1)[*:1]
CC(C)(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1cccc2c1COC2=O O[C@H](c1ccccc1)[*:1] CC(C)(C)CN(C[*:1])S(=O)(=O)c1cccc2C(=O)OCc21
CC(C)(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1cccc2c1COC2=O c1ccc(cc1)[*:1] CC(C)(C)CN(C[C@H](O)[*:1])S(=O)(=O)c1cccc2C(=O)OCc21
CC(C)(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1cccc2c1COC2=O O[C@@H](C[*:1])c1ccccc1 CC(C)(C)CN(S(=O)(=O)c1cccc2C(=O)OCc21)[*:1]
O=C([O-])[C@@H](Cc1ccc(F)cc1F)c1ccccc1Cl O=C([O-])[*:1] Fc1ccc(C[C@@H](c2ccccc2Cl)[*:1])c(F)c1
O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 C1CC1[*:1] O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cc(nn1-c1ccccc1)[*:1]
O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cc(nn1[*:1])C1CC1
O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ncnc2c1cnn2[*:1])Nc1cc(nn1-c1ccccc1)C1CC1
CN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 O[C@@H](C[*:1])c1ccccc1 CN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@@H]1[*:1]
CN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] CN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@H]1C[*:1]
CN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CN(c1ccccc1NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1)[*:1]
CN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@H]1C[C@H](O)[*:1]
CN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 CN(c1ccccc1)[*:1] O=C(Nc1ccccc1[*:1])N1CCOC[C@H]1C[C@H](O)c1ccccc1
NS(=O)(=O)c1ccc(CCNC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(NCC[*:1])c1c2CCCCCc2nc2ccccc12
NS(=O)(=O)c1ccc(CCNC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1c2CCCCCc2nc2ccccc12
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3nccc4ccccc34)C2)c1 CCOC(=O)[*:1] O=C(c1nccc2ccccc12)N1CCC[C@H](C1)n1cc(cn1)[*:1]
CC(C)[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)[*:1]
CC(C)[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Cl CC(C)[*:1] C[C@H]([NH2+][C@@H](c1ccccc1Cl)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CCCCCN(C)c1nc(C(C)C)c(CO)s1 CCCCC[*:1] CC(C)c1nc(sc1CO)N(C)[*:1]
CCCCCN(C)c1nc(C(C)C)c(CO)s1 CCC[*:1] CC(C)c1nc(sc1CO)N(C)CC[*:1]
CCCCCN(C)c1nc(C(C)C)c(CO)s1 CC(C)[*:1] CCCCCN(C)c1nc(c(CO)s1)[*:1]
CCCCCN(C)c1nc(C(C)C)c(CO)s1 CCCC[*:1] CC(C)c1nc(sc1CO)N(C)C[*:1]
CCNC(=O)CN1CCN(C(=O)NCCN2c3ccccc3C[C@H]2C)CC1 CCNC(=O)[*:1] C[C@@H]1Cc2ccccc2N1CCNC(=O)N1CCN(CC1)C[*:1]
CCNC(=O)CN1CCN(C(=O)NCCN2c3ccccc3C[C@H]2C)CC1 CCNC(=O)C[*:1] C[C@@H]1Cc2ccccc2N1CCNC(=O)N1CCN(CC1)[*:1]
CC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1C1CC1 C1CC1[*:1] CC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C1 O=C(NC1CC1)[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C1 C1CC1[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CN(CC(F)(F)F)C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CN(CC(F)(F)F)C(=O)N[C@@H]1CCCCC[C@H]1[*:1]
CN(CC(F)(F)F)C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] FC(F)(F)C[*:1] CN(C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-])[*:1]
CN(CC(F)(F)F)C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] FC(F)(F)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-]
[NH3+][C@@H](CSc1ccccc1)[C@H]1CCO[C@]2(CCOC2)C1 c1ccc(cc1)[*:1] [NH3+][C@@H](CS[*:1])[C@H]1CCO[C@]2(CCOC2)C1
C[C@H]1C[C@@H]1NC(=O)c1cccnc1SC(F)F C[C@H]1C[C@H]1[*:1] O=C(N[*:1])c1cccnc1SC(F)F
C[C@H]1C[C@@H]1NC(=O)c1cccnc1SC(F)F FC(F)S[*:1] C[C@H]1C[C@@H]1NC(=O)c1cccnc1[*:1]
C[C@H]1C[C@@H]1NC(=O)c1cccnc1SC(F)F FC(F)[*:1] C[C@H]1C[C@@H]1NC(=O)c1cccnc1S[*:1]
C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1)C(C)(C)C Cc1ccc(cc1Cl)[*:1] C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)N[*:1])S1)C(C)(C)C
C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1)C(C)(C)C CC(C)(C)[*:1] CC(=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1)[*:1]
COc1ccc(CCNC(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)C(=O)NCC[*:1])c(C)c1
C=CCOc1ccccc1C(=O)NNC1=CC(=O)CC(C)(C)C1 C=CCO[*:1] CC1(C)CC(=O)C=C(C1)NNC(=O)c1ccccc1[*:1]
C=CCOc1ccccc1C(=O)NNC1=CC(=O)CC(C)(C)C1 C=CC[*:1] CC1(C)CC(=O)C=C(C1)NNC(=O)c1ccccc1O[*:1]
C[C@@H](Cn1cccc1[C@@H](C)O)C(N)=O C[C@@H](O)[*:1] C[C@@H](Cn1cccc1[*:1])C(N)=O
C[C@@H](Cn1cccc1[C@@H](C)O)C(N)=O NC(=O)[*:1] C[C@@H](Cn1cccc1[C@@H](C)O)[*:1]
O=C(Cn1cc(Nc2nccc(C(F)(F)F)n2)cn1)N1CCOCC1 O=C(N1CCOCC1)[*:1] FC(F)(F)c1ccnc(n1)Nc1cnn(c1)C[*:1]
O=C(Cn1cc(Nc2nccc(C(F)(F)F)n2)cn1)N1CCOCC1 FC(F)(F)[*:1] O=C(Cn1cc(cn1)Nc1nccc(n1)[*:1])N1CCOCC1
C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl Clc1ccc(cc1)[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)Nc1cccc(Cl)c1Cl
C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)N[*:1]
COc1ccccc1[C@@H](NC(=O)NCc1cccc(C)c1)c1ccccn1 Cc1cccc(c1)C[*:1] COc1ccccc1[C@@H](NC(=O)N[*:1])c1ccccn1
COc1ccccc1[C@@H](NC(=O)NCc1cccc(C)c1)c1ccccn1 COc1ccccc1[*:1] Cc1cccc(c1)CNC(=O)N[C@@H](c1ccccn1)[*:1]
COc1ccccc1[C@@H](NC(=O)NCc1cccc(C)c1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)NCc1cccc(C)c1)[*:1]
COc1ccccc1[C@@H](NC(=O)NCc1cccc(C)c1)c1ccccn1 Cc1cccc(c1)[*:1] COc1ccccc1[C@@H](NC(=O)NC[*:1])c1ccccn1
CCC[NH2+]C/C(C)=C/c1cccc2ccccc12 CCC[*:1] C/C(=C\c1cccc2ccccc12)C[NH2+][*:1]
CS(=O)(=O)c1nccc2ccccc12 CS(=O)(=O)[*:1] c1ccc2c(nccc2c1)[*:1]
O=C(Nc1cccnc1-n1cncn1)c1cc(Cl)c2ccccc2c1O c1ncn(n1)[*:1] O=C(Nc1cccnc1[*:1])c1cc(Cl)c2ccccc2c1O
Cc1c(C(=O)Nc2ccc(C(F)(F)F)nc2)cnn1C(C)C FC(F)(F)[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccc(nc1)[*:1]
Cc1c(C(=O)Nc2ccc(C(F)(F)F)nc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc(nc1)C(F)(F)F
CC(=O)c1cnc2nc(SCc3cccc(Cl)c3)nn2c1C Clc1cccc(c1)[*:1] CC(=O)c1cnc2nc(nn2c1C)SC[*:1]
CC(=O)c1cnc2nc(SCc3cccc(Cl)c3)nn2c1C CC(=O)[*:1] Cc1c(cnc2nc(nn12)SCc1cccc(Cl)c1)[*:1]
Cc1cccc(/C=C/C[NH2+]C(C)C)c1 CC(C)[*:1] Cc1cccc(/C=C/C[NH2+][*:1])c1
COC(=O)[C@@]1(C)CCN(Cc2c(C)nc3sc(C)cn23)C1 COC(=O)[*:1] Cc1cn2c(CN3CC[C@](C)(C3)[*:1])c(C)nc2s1
Cc1ccc(C2(C(=O)Nc3ccc(C)c(F)c3)CCOCC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)C1(CCOCC1)[*:1]
Cc1ccc(C2(C(=O)Nc3ccc(C)c(F)c3)CCOCC2)cc1 Cc1ccc(cc1F)[*:1] Cc1ccc(cc1)C1(CCOCC1)C(=O)N[*:1]
N#Cc1nccnc1Sc1nnnn1C1CC1 C1CC1[*:1] N#Cc1nccnc1Sc1nnnn1[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(-c3nc(C)no3)cc2)cc1 Cc1noc(n1)[*:1] Cc1ccc(cc1)O[C@@H](C)CNC(=O)c1ccc(cc1)[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(-c3nc(C)no3)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NC[C@H](C)O[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(-c3nc(C)no3)cc2)cc1 Cc1ccc(cc1)O[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NC[C@H](C)[*:1]
CCC(=O)N(C)c1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 CCC(=O)N(C)[*:1] O=C(Nc1ccc2OCCOc2c1)c1ccccc1[*:1]
CNC(=O)C[C@H](C[NH3+])N(C)C(C)C CNC(=O)[*:1] CC(C)N(C)[C@@H](C[NH3+])C[*:1]
CNC(=O)C[C@H](C[NH3+])N(C)C(C)C CC(C)[*:1] CNC(=O)C[C@H](C[NH3+])N(C)[*:1]
CC(C)NC(=O)c1cc(-c2cccs2)nc2ccccc12 CC(C)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1cccs1
CC(C)NC(=O)c1cc(-c2cccs2)nc2ccccc12 c1csc(c1)[*:1] CC(C)NC(=O)c1cc(nc2ccccc12)[*:1]
CC(C)NC(=O)c1cc(-c2cccs2)nc2ccccc12 CC(C)NC(=O)[*:1] c1csc(c1)-c1cc(c2ccccc2n1)[*:1]
Cc1ccc(-n2[nH]c(C(=O)N[C@@H](C)c3ccc(Cl)s3)cc2=O)cc1 C[C@@H](c1ccc(Cl)s1)[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N[*:1]
Cc1ccc(-n2[nH]c(C(=O)N[C@@H](C)c3ccc(Cl)s3)cc2=O)cc1 Clc1ccc(s1)[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N[C@@H](C)[*:1]
Cc1ccc(-n2[nH]c(C(=O)N[C@@H](C)c3ccc(Cl)s3)cc2=O)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)c1cc(=O)n([nH]1)[*:1])c1ccc(Cl)s1
Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3S(=O)(=O)N3CCCC3)cc2n1 FC(F)(F)[*:1] Cc1cc(n2nc(cc2n1)[C@H]1CCCCN1S(=O)(=O)N1CCCC1)[*:1]
Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)n1 c1coc(c1)[*:1] Cc1cccc(n1)NC(=O)c1cc(nc2ccccc12)[*:1]
Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccco1
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1 CC(C)N(C)S(=O)(=O)[*:1] CC(C)[NH+]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)[*:1])c2C(N)=O
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1 NC(=O)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2C[NH+](CCc2c1[*:1])C(C)C
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1 CC(C)[*:1] CC(C)[NH+]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N(C)[*:1])c2C(N)=O
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1 CC(C)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2C[NH+](CCc2c1C(N)=O)[*:1]
CC(C)N(Cc1ccccc1)C(=S)NC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)N(Cc1ccccc1)C(=S)NC(=O)[*:1]
CC(C)N(Cc1ccccc1)C(=S)NC(=O)c1ccc(Br)cc1 c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=S)NC(=O)c1ccc(Br)cc1
CC(C)N(Cc1ccccc1)C(=S)NC(=O)c1ccc(Br)cc1 CC(C)[*:1] O=C(NC(=S)N(Cc1ccccc1)[*:1])c1ccc(Br)cc1
CC(C)N(Cc1ccccc1)C(=S)NC(=O)c1ccc(Br)cc1 c1ccc(cc1)C[*:1] CC(C)N(C(=S)NC(=O)c1ccc(Br)cc1)[*:1]
CN(C(=O)Cc1ccc[nH]1)[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] CN(C(=O)Cc1ccc[nH]1)[C@@H]1CCN(C[*:1])C1=O
CN(C(=O)Cc1ccc[nH]1)[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] CN(C(=O)Cc1ccc[nH]1)[C@@H]1CCN(C1=O)[*:1]
CN(C(=O)Cc1ccc[nH]1)[C@@H]1CCN(CC(F)(F)F)C1=O c1c[nH]c(c1)C[*:1] CN(C(=O)[*:1])[C@@H]1CCN(CC(F)(F)F)C1=O
CN(C(=O)Cc1ccc[nH]1)[C@@H]1CCN(CC(F)(F)F)C1=O c1c[nH]c(c1)[*:1] CN(C(=O)C[*:1])[C@@H]1CCN(CC(F)(F)F)C1=O
COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 COc1ccc(C)cc1[*:1] O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)N[*:1]
CC(C)(C)c1ncc(NC(=O)N(C[C@@H](O)c2ccccc2)C2CC2)cn1 CC(C)(C)[*:1] O=C(Nc1cnc(nc1)[*:1])N(C[C@@H](O)c1ccccc1)C1CC1
CC(C)(C)c1ncc(NC(=O)N(C[C@@H](O)c2ccccc2)C2CC2)cn1 c1ccc(cc1)[*:1] CC(C)(C)c1ncc(cn1)NC(=O)N(C[C@@H](O)[*:1])C1CC1
CC(C)(C)c1ncc(NC(=O)N(C[C@@H](O)c2ccccc2)C2CC2)cn1 C1CC1[*:1] CC(C)(C)c1ncc(cn1)NC(=O)N(C[C@@H](O)c1ccccc1)[*:1]
CC(C)(C)c1ncc(NC(=O)N(C[C@@H](O)c2ccccc2)C2CC2)cn1 O[C@@H](c1ccccc1)[*:1] CC(C)(C)c1ncc(cn1)NC(=O)N(C[*:1])C1CC1
COc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2C)c(OC)c1 NNC(=O)[*:1] COc1ccc(c(c1)OC)-c1cc(nn1-c1ccccc1C)[*:1]
COc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2C)c(OC)c1 Cc1ccccc1[*:1] COc1ccc(c(c1)OC)-c1cc(nn1[*:1])C(=O)NN
O=C(c1ccc(=O)n(-c2ccc(F)cc2)c1)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(=O)n(c1)[*:1])N1CCCC1
O=C(c1ccc(=O)n(-c2ccc(F)cc2)c1)N1CCCC1 O=C(N1CCCC1)[*:1] O=c1ccc(cn1-c1ccc(F)cc1)[*:1]
CN(CCC(N)=S)C(=O)COc1cccc2ccccc12 NC(=S)[*:1] CN(CC[*:1])C(=O)COc1cccc2ccccc12
CN(CCC(N)=S)C(=O)COc1cccc2ccccc12 NC(=S)CC[*:1] CN(C(=O)COc1cccc2ccccc12)[*:1]
CN(CCC(N)=S)C(=O)COc1cccc2ccccc12 NC(=S)C[*:1] CN(C[*:1])C(=O)COc1cccc2ccccc12
CCCCCN1C(=O)C(=O)N(c2ccccc2OCC)C1=O CCO[*:1] CCCCCN1C(=O)C(=O)N(C1=O)c1ccccc1[*:1]
CCCCCN1C(=O)C(=O)N(c2ccccc2OCC)C1=O CCCC[*:1] CCOc1ccccc1N1C(=O)C(=O)N(C[*:1])C1=O
CCCCCN1C(=O)C(=O)N(c2ccccc2OCC)C1=O CCCCC[*:1] CCOc1ccccc1N1C(=O)C(=O)N(C1=O)[*:1]
CCCCCN1C(=O)C(=O)N(c2ccccc2OCC)C1=O CCC[*:1] CCOc1ccccc1N1C(=O)C(=O)N(CC[*:1])C1=O
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(nc12)O[*:1]
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 Cc1ccc(cc1)O[*:1] Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(nc12)[*:1]
C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[S@](C)=O c1ccc(cc1)[*:1] C[C@@H](CNc1ccc(c(n1)[*:1])[N+](=O)[O-])[S@](C)=O
C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[S@](C)=O O=[N+]([O-])[*:1] C[C@@H](CNc1ccc(c(n1)-c1ccccc1)[*:1])[S@](C)=O
Cc1ccccc1/[NH+]=c1\scc(-c2cccc([N+](=O)[O-])c2)n1CCO O=[N+]([O-])[*:1] Cc1ccccc1/[NH+]=c1\scc(-c2cccc(c2)[*:1])n1CCO
Cc1ccccc1/[NH+]=c1\scc(-c2cccc([N+](=O)[O-])c2)n1CCO OCC[*:1] Cc1ccccc1/[NH+]=c1\scc(-c2cccc(c2)[N+](=O)[O-])n1[*:1]
Cc1ccccc1/[NH+]=c1\scc(-c2cccc([N+](=O)[O-])c2)n1CCO Cc1ccccc1[*:1] O=[N+]([O-])c1cccc(c1)-c1csc(=[NH+][*:1])n1CCO
Cc1ccc(S(=O)(=O)Nc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)s1 Cc1ccc(s1)[*:1] CC1(C)NC(=O)N(Cc2ccc(cc2)NS(=O)(=O)[*:1])C1=O
Cc1ccc2c(ccc(C)[n+]2CCCS(=O)(=O)[O-])c1 O=S(=O)([O-])CC[*:1] Cc1ccc2c(ccc(C)[n+]2C[*:1])c1
Cc1ccc2c(ccc(C)[n+]2CCCS(=O)(=O)[O-])c1 O=S(=O)([O-])C[*:1] Cc1ccc2c(ccc(C)[n+]2CC[*:1])c1
Cc1ccc2c(ccc(C)[n+]2CCCS(=O)(=O)[O-])c1 O=S(=O)([O-])[*:1] Cc1ccc2c(ccc(C)[n+]2CCC[*:1])c1
c1ccc([C@@H](NCc2nc3c(s2)CCC3)C2CCCC2)cc1 C1CCC(C1)[*:1] c1ccc(cc1)[C@@H](NCc1nc2CCCc2s1)[*:1]
c1ccc([C@@H](NCc2nc3c(s2)CCC3)C2CCCC2)cc1 c1ccc(cc1)[*:1] C1Cc2nc(CN[C@@H](C3CCCC3)[*:1])sc2C1
Cn1nc(C(=O)OCc2cc(-c3ccc4c(c3)OCCO4)on2)ccc1=O Cn1nc(ccc1=O)[*:1] O=C(OCc1cc(on1)-c1ccc2OCCOc2c1)[*:1]
CS(=O)(=O)N1CCc2nc(NC(=O)c3ccc(F)c(F)c3)sc2C1 Fc1ccc(cc1F)[*:1] CS(=O)(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
O=C1c2sccc2[C@@H](NC(=O)C(F)(F)F)[C@H]1Br FC(F)(F)[*:1] O=C1c2sccc2[C@@H](NC(=O)[*:1])[C@H]1Br
O=C(Cc1ccccc1)NNc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Cc1ccccc1)NNc1ncnc(c1[*:1])-n1cnc2ccccc21
O=C(Cc1ccccc1)NNc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-] c1ccc2c(c1)ncn2[*:1] O=C(Cc1ccccc1)NNc1ncnc(c1[N+](=O)[O-])[*:1]
O=C(Cc1ccccc1)NNc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(C[*:1])NNc1ncnc(c1[N+](=O)[O-])-n1cnc2ccccc21
O=C(Cc1ccccc1)NNc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-] c1ccc(cc1)C[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])-n1cnc2ccccc21)[*:1]
C=C(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[nH]c(=O)c32)cc1 C=C(C)[*:1] C[C@H]1C[C@H](C)CN(C1)c1nc2NC(=O)C[C@H](C(=O)Nc3ccc(cc3)[*:1])c2c(=O)[nH]1
C=C(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[nH]c(=O)c32)cc1 C=C(C)c1ccc(cc1)[*:1] C[C@H]1C[C@H](C)CN(C1)c1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
Cc1ccc(-c2csc3ncnc(S[C@H](C(=O)N(C)C)c4ccccc4)c23)cc1 Cc1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](Sc1ncnc2scc(c12)[*:1])c1ccccc1
Cc1ccc(-c2csc3ncnc(S[C@H](C(=O)N(C)C)c4ccccc4)c23)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1csc2ncnc(S[C@H](C(=O)N(C)C)[*:1])c12
Cc1ccc(-c2csc3ncnc(S[C@H](C(=O)N(C)C)c4ccccc4)c23)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)-c1csc2ncnc(S[C@H](c3ccccc3)[*:1])c12
COc1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])NC(=O)COc1ccc(F)cc1Cl
COc1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1S(N)(=O)=O Fc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1S(N)(=O)=O)NC(=O)CO[*:1]
CN(C)C(=O)CN1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)CC1 Clc1ccccc1[*:1] CN(C)C(=O)CN1CCN(CC1)C(=O)CSc1nnc(n1C1CCCC1)[*:1]
CN(C)C(=O)CN1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)CC1 C1CCC(C1)[*:1] CN(C)C(=O)CN1CCN(CC1)C(=O)CSc1nnc(-c2ccccc2Cl)n1[*:1]
CN(C)C(=O)CN1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)CC1 CN(C)C(=O)C[*:1] O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)N1CCN(CC1)[*:1]
CN(C)C(=O)CN1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)CC1 CN(C)C(=O)[*:1] O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)N1CCN(CC1)C[*:1]
C[C@@H](CC(=O)[O-])NC(=O)CN(C)c1ncccn1 O=C([O-])C[*:1] C[C@@H](NC(=O)CN(C)c1ncccn1)[*:1]
C[C@@H](CC(=O)[O-])NC(=O)CN(C)c1ncccn1 c1cnc(nc1)[*:1] C[C@@H](CC(=O)[O-])NC(=O)CN(C)[*:1]
C[C@@H](CC(=O)[O-])NC(=O)CN(C)c1ncccn1 O=C([O-])[*:1] C[C@@H](C[*:1])NC(=O)CN(C)c1ncccn1
CN(C(=O)/C=C/c1ccnc2ccccc12)c1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] CN(C(=O)/C=C/c1ccnc2ccccc12)[*:1]
Cc1c(C(=O)NCCCN2CC[NH+](C)CC2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)NCCCN1CC[NH+](C)CC1
CS[C@H]1CC[C@H](NC(=O)c2ccc(SC(F)F)cc2)C1 FC(F)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)S[*:1]
CS[C@H]1CC[C@H](NC(=O)c2ccc(SC(F)F)cc2)C1 FC(F)S[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)[*:1]
Cc1n[nH]c([C@@H]2CN(C(=O)Cc3cccs3)CCO2)n1 Cc1n[nH]c(n1)[*:1] O=C(Cc1cccs1)N1CCO[C@@H](C1)[*:1]
Cc1n[nH]c([C@@H]2CN(C(=O)Cc3cccs3)CCO2)n1 c1csc(c1)[*:1] Cc1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)C[*:1]
Cc1n[nH]c([C@@H]2CN(C(=O)Cc3cccs3)CCO2)n1 c1csc(c1)C[*:1] Cc1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)[*:1]
CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21 Clc1ccc(cc1)[*:1] CN1C(=O)[C@@](O)(CC(=O)[*:1])c2cc(Br)ccc21
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] N#C/C(=C\c1c(nc2ccccn2c1=O)O[*:1])C(=O)N1CCCCC1
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)c(C)c1 O=C(N1CCCCC1)[*:1] Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)[*:1])c(C)c1
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)c(C)c1 Cc1ccc(O[*:1])c(C)c1 N#C/C(=C\c1c(nc2ccccn2c1=O)[*:1])C(=O)N1CCCCC1
CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 O=[N+]([O-])[*:1] CN(CC(=O)Nc1ccc(Cl)c(c1)[*:1])S(=O)(=O)c1ccccc1
CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)Nc1ccc(Cl)c(c1)[N+](=O)[O-])S(=O)(=O)[*:1]
CCCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 CCC[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[*:1]
CCCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 CCCC[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N[*:1]
CNC(=O)c1sc(Nc2ccc(OC)nc2)nc1C CNC(=O)[*:1] COc1ccc(cn1)Nc1nc(C)c(s1)[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2nc(C)nc2C)c1 Cc1nc(C)n(C[*:1])n1 COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2nc(C)nc2C)c1 Cc1nc(C)n(n1)[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)C[*:1]
Nc1ccc2c(NCCCC(=O)NC3CC3)ncnc2n1 C1CC1[*:1] Nc1ccc2c(ncnc2n1)NCCCC(=O)N[*:1]
Nc1ccc2c(NCCCC(=O)NC3CC3)ncnc2n1 O=C(C[*:1])NC1CC1 Nc1ccc2c(ncnc2n1)NCC[*:1]
Nc1ccc2c(NCCCC(=O)NC3CC3)ncnc2n1 O=C(NC1CC1)[*:1] Nc1ccc2c(ncnc2n1)NCCC[*:1]
CC1(C)S[C@@H](c2ncc(-c3cccs3)s2)N[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)S[C@H](N[C@H]1[*:1])c1ncc(s1)-c1cccs1
CC1(C)S[C@@H](c2ncc(-c3cccs3)s2)N[C@@H]1C(=O)[O-] c1csc(c1)[*:1] CC1(C)S[C@H](N[C@@H]1C(=O)[O-])c1ncc(s1)[*:1]
C[C@@H](CNC(=O)Nc1cccnc1)C[NH+]1CCCCC1 c1cncc(c1)[*:1] C[C@@H](CNC(=O)N[*:1])C[NH+]1CCCCC1
Cc1nn(C)c(C)c1CNC(=O)Cn1c(C)nc2ccc(F)cc2c1=O Cc1nn(C)c(C)c1[*:1] Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NC[*:1]
O=C(Cn1cnc2nc(N3CCC[C@@H](C(=O)NC4CC4)C3)sc2c1=O)Nc1ccc(F)c(F)c1 O=C(Nc1ccc(F)c(F)c1)[*:1] O=C(NC1CC1)[C@@H]1CCCN(C1)c1nc2ncn(C[*:1])c(=O)c2s1
O=C(Cn1cnc2nc(N3CCC[C@@H](C(=O)NC4CC4)C3)sc2c1=O)Nc1ccc(F)c(F)c1 C1CC1[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCC[C@H](C1)C(=O)N[*:1])Nc1ccc(F)c(F)c1
O=C(Cn1cnc2nc(N3CCC[C@@H](C(=O)NC4CC4)C3)sc2c1=O)Nc1ccc(F)c(F)c1 O=C(NC1CC1)[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCC[C@@H](C1)[*:1])Nc1ccc(F)c(F)c1
O=C(Cn1cnc2nc(N3CCC[C@@H](C(=O)NC4CC4)C3)sc2c1=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCC[C@H](C1)C(=O)NC1CC1)N[*:1]
O=C(Cl)c1ccc2snnc2c1 O=C(Cl)[*:1] c1cc2snnc2cc1[*:1]
CC1=C(C)[C@@H](c2c[nH]c3ccccc23)N(C2CCCCC2)C1=O C1CCC(CC1)[*:1] CC1C(=O)N([C@@H](C=1C)c1c[nH]c2ccccc12)[*:1]
CCc1ccc(C(=O)CCC(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cc1 CC(C)[*:1] CCc1ccc(cc1)C(=O)CCC(=O)N[C@H]1CC(=O)N(C1=O)[*:1]
CCc1ccc(C(=O)CCC(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cc1 CCc1ccc(cc1)[*:1] CC(C)N1C(=O)C[C@H](NC(=O)CCC(=O)[*:1])C1=O
CCC(=O)c1ccc(F)c(F)c1 CCC(=O)[*:1] Fc1ccc(cc1F)[*:1]
CC(C)C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 C1CCC(C1)[*:1] CC(C)C(=O)N(C)c1nc(cs1)-c1ccc2c(c1)CCCN2C(=O)[*:1]
CC(C)C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 CC(C)[*:1] CN(C(=O)[*:1])c1nc(cs1)-c1ccc2c(c1)CCCN2C(=O)C1CCCC1
CC(C)C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 CC(C)C(=O)N(C)[*:1] O=C(C1CCCC1)N1CCCc2cc(ccc21)-c1csc(n1)[*:1]
[NH3+]C1(CC[NH2+][C@H]2CCN(C3CC3)C2)CCC1 [NH3+]C1(CCC1)[*:1] C(C[*:1])[NH2+][C@H]1CCN(C1)C1CC1
[NH3+]C1(CC[NH2+][C@H]2CCN(C3CC3)C2)CCC1 C1CC1[*:1] [NH3+]C1(CCC1)CC[NH2+][C@H]1CCN(C1)[*:1]
C[NH2+][C@]1(C(N)=O)CC[C@H](OCCCC(C)C)C1 NC(=O)[*:1] C[NH2+][C@@]1(CC[C@@H](C1)OCCCC(C)C)[*:1]
C[NH2+][C@]1(C(N)=O)CC[C@H](OCCCC(C)C)C1 CC(C)CC[*:1] C[NH2+][C@@]1(CC[C@@H](C1)OC[*:1])C(N)=O
C[NH2+][C@]1(C(N)=O)CC[C@H](OCCCC(C)C)C1 CC(C)C[*:1] C[NH2+][C@@]1(CC[C@@H](C1)OCC[*:1])C(N)=O
C[NH2+][C@]1(C(N)=O)CC[C@H](OCCCC(C)C)C1 CC(C)[*:1] C[NH2+][C@@]1(CC[C@@H](C1)OCCC[*:1])C(N)=O
COC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)c1cc(nc2ccccc12)C1CC1
COC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1C C1CC1[*:1] COC(=O)c1cccc(NC(=O)c2cc(nc3ccccc23)[*:1])c1C
COC[C@H]([NH2+][C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 C1CC1[*:1] COC[C@H]([NH2+][C@H](C)c1cc2OCOc2cc1[N+](=O)[O-])[*:1]
COC[C@H]([NH2+][C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 COC[*:1] C[C@@H]([NH2+][C@H](C1CC1)[*:1])c1cc2OCOc2cc1[N+](=O)[O-]
COC[C@H]([NH2+][C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 O=[N+]([O-])[*:1] COC[C@H]([NH2+][C@H](C)c1cc2OCOc2cc1[*:1])C1CC1
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3n2C(F)F)cc1 FC(F)[*:1] O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(cc1)-c1nc2ccccc2n1[*:1]
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3n2C(F)F)cc1 O=C([O-])[*:1] O=S(=O)([N-]c1ccc(cc1)-c1nc2ccccc2n1C(F)F)c1ccsc1[*:1]
CC1(C)[C@@H]([NH2+]Cc2cccnc2N2CCC[C@H](C(N)=O)C2)[C@@]2(C)CC[C@@H]1C2 NC(=O)[C@H]1CCCN(C1)[*:1] CC1(C)[C@@H]([NH2+]Cc2cccnc2[*:1])[C@@]2(C)CC[C@@H]1C2
CC1(C)[C@@H]([NH2+]Cc2cccnc2N2CCC[C@H](C(N)=O)C2)[C@@]2(C)CC[C@@H]1C2 NC(=O)[*:1] CC1(C)[C@@H]([NH2+]Cc2cccnc2N2CCC[C@H](C2)[*:1])[C@@]2(C)CC[C@@H]1C2
COc1ccc(C)cc1NC(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] COc1ccc(C)cc1NC(=O)NC[*:1]
Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C(=O)NCc2ccc(nc2)N2CC[NH+](C)CC2)c(N)c(c1)[*:1]
CN(C)c1ccc(C(=O)Nc2[nH]ncc2N)cc1 Nc1cn[nH]c1[*:1] CN(C)c1ccc(cc1)C(=O)N[*:1]
CN(C)c1ccc(C(=O)Nc2[nH]ncc2N)cc1 CN(C)[*:1] Nc1cn[nH]c1NC(=O)c1ccc(cc1)[*:1]
C[C@H]1CCC[C@@H](C)N1c1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C)N1c1nnc(NC(=O)N[*:1])s1
Cc1cccc(N2N=C(C(=O)NCc3ccco3)CCC2=O)c1 Cc1cccc(c1)[*:1] O=C(NCc1ccco1)C1CCC(=O)N(N=1)[*:1]
Cc1cccc(N2N=C(C(=O)NCc3ccco3)CCC2=O)c1 c1coc(c1)[*:1] Cc1cccc(c1)N1N=C(CCC1=O)C(=O)NC[*:1]
Cc1cccc(N2N=C(C(=O)NCc3ccco3)CCC2=O)c1 c1coc(c1)C[*:1] Cc1cccc(c1)N1N=C(CCC1=O)C(=O)N[*:1]
[NH3+]Cc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)o1 FC(F)(F)[*:1] [NH3+]Cc1ccc(o1)C(=O)N1CCC(CC1)[*:1]
CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F CC[C@@H](C)[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F)[*:1]
CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1[*:1]
CN(C[C@H]1CCC[C@@H]1O)C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 CC(C)(C)OC(=O)N[*:1] CN(C[C@H]1CCC[C@@H]1O)C(=O)Cc1cccc(c1)[*:1]
CN(C[C@H]1CCC[C@@H]1O)C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] CN(C[C@H]1CCC[C@@H]1O)C(=O)Cc1cccc(c1)NC(=O)O[*:1]
O=C(CNC(=O)c1cccs1)Nc1cccc(C#Cc2ccccn2)c1 c1ccc(nc1)[*:1] O=C(CNC(=O)c1cccs1)Nc1cccc(C#C[*:1])c1
O=C(CNC(=O)c1cccs1)Nc1cccc(C#Cc2ccccn2)c1 C(#C[*:1])c1ccccn1 O=C(CNC(=O)c1cccs1)Nc1cccc(c1)[*:1]
O=C(CNC(=O)c1cccs1)Nc1cccc(C#Cc2ccccn2)c1 O=C(N[*:1])c1cccs1 O=C(C[*:1])Nc1cccc(C#Cc2ccccn2)c1
O=C(CNC(=O)c1cccs1)Nc1cccc(C#Cc2ccccn2)c1 c1csc(c1)[*:1] O=C(CNC(=O)[*:1])Nc1cccc(C#Cc2ccccn2)c1
CC[C@@H](C)NC(=O)[C@@H]1CC(c2cccc(Br)c2)=NO1 CC[C@@H](C)[*:1] O=C(N[*:1])[C@@H]1CC(=NO1)c1cccc(Br)c1
CCCN(CC1CC1)C(=O)Nc1ccc(C(N)=O)cc1 CCC[*:1] NC(=O)c1ccc(cc1)NC(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] CCCN(CC1CC1)C(=O)Nc1ccc(cc1)[*:1]
CCCN(CC1CC1)C(=O)Nc1ccc(C(N)=O)cc1 C1CC1C[*:1] CCCN(C(=O)Nc1ccc(cc1)C(N)=O)[*:1]
CCCN(CC1CC1)C(=O)Nc1ccc(C(N)=O)cc1 C1CC1[*:1] CCCN(C[*:1])C(=O)Nc1ccc(cc1)C(N)=O
CCCn1cc(NC(=O)Nc2cc(C#N)ccc2OC(C)C)cn1 CC(C)O[*:1] CCCn1cc(cn1)NC(=O)Nc1cc(C#N)ccc1[*:1]
CCCn1cc(NC(=O)Nc2cc(C#N)ccc2OC(C)C)cn1 CCCn1cc(cn1)[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)N[*:1]
CCCn1cc(NC(=O)Nc2cc(C#N)ccc2OC(C)C)cn1 CCC[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)Nc1cnn(c1)[*:1]
CCCn1cc(NC(=O)Nc2cc(C#N)ccc2OC(C)C)cn1 CC(C)[*:1] CCCn1cc(cn1)NC(=O)Nc1cc(C#N)ccc1O[*:1]
CN(CC(F)F)C(=O)CCc1ccc(F)cc1F FC(F)C[*:1] CN(C(=O)CCc1ccc(F)cc1F)[*:1]
CN(CC(F)F)C(=O)CCc1ccc(F)cc1F FC(F)[*:1] CN(C[*:1])C(=O)CCc1ccc(F)cc1F
CC[C@H](C)NS(=O)(=O)c1cc(C)c(Cl)cc1C CC[C@H](C)[*:1] Cc1cc(c(C)cc1Cl)S(=O)(=O)N[*:1]
Cc1cccc(N2C[C@@H](C(=O)O[C@@H](C)c3nccs3)CC2=O)c1C Cc1cccc(c1C)[*:1] C[C@H](OC(=O)[C@H]1CC(=O)N(C1)[*:1])c1nccs1
Cc1cccc(N2C[C@@H](C(=O)O[C@@H](C)c3nccs3)CC2=O)c1C c1csc(n1)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)O[C@@H](C)[*:1]
COc1ccnc(NC(=O)[C@H](c2ccccc2)C(C)C)c1 CC(C)[*:1] COc1ccnc(c1)NC(=O)[C@H](c1ccccc1)[*:1]
COc1ccnc(NC(=O)[C@H](c2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] COc1ccnc(c1)NC(=O)[C@H](C(C)C)[*:1]
CNc1ncc(C[NH+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1 CNc1ncc(cn1)[*:1] C[NH+](C)C1CCC2(CC1)C[NH+](Cc1ccccc1O2)C[*:1]
CNc1ncc(C[NH+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1 CNc1ncc(cn1)C[*:1] C[NH+](C)C1CCC2(CC1)C[NH+](Cc1ccccc1O2)[*:1]
COC(C)(C)C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 COC(C)(C)[*:1] C[C@@H](C[*:1])Nc1ccc(nc1)[N+](=O)[O-]
COC(C)(C)C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 O=[N+]([O-])[*:1] COC(C)(C)C[C@H](C)Nc1ccc(nc1)[*:1]
COC(C)(C)C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 COC(C)(C)C[*:1] C[C@H](Nc1ccc(nc1)[N+](=O)[O-])[*:1]
C=CCNC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 c1ccc(cc1)[*:1] C=CCNC(=O)[C@H]1CCCN(C1)c1nc(nc2CCCc21)[*:1]
C=CCNC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 C=CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc(nc2CCCc21)-c1ccccc1
C=CCNC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 C=CCNC(=O)[*:1] c1ccc(cc1)-c1nc2CCCc2c(n1)N1CCC[C@@H](C1)[*:1]
CC(C)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 CC(C)c1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
CC(C)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
C[C@H](O)Cn1c(C(C)(C)C)nc2cc(Cl)ccc21 C[C@H](O)C[*:1] CC(C)(C)c1nc2cc(Cl)ccc2n1[*:1]
C[C@H](O)Cn1c(C(C)(C)C)nc2cc(Cl)ccc21 C[C@H](O)[*:1] CC(C)(C)c1nc2cc(Cl)ccc2n1C[*:1]
C[C@H](O)Cn1c(C(C)(C)C)nc2cc(Cl)ccc21 CC(C)(C)[*:1] C[C@H](O)Cn1c(nc2cc(Cl)ccc21)[*:1]
CNC(=O)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1C Fc1cccc(c1)[*:1] CNC(=O)c1cccc(NS(=O)(=O)[*:1])c1C
CNC(=O)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NS(=O)(=O)c1cccc(F)c1
Cc1ccc(-c2nc(CNC(=O)NC[C@H](O)c3ccsc3)co2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1coc(n1)[*:1])NC[C@H](O)c1ccsc1
Cc1ccc(-c2nc(CNC(=O)NC[C@H](O)c3ccsc3)co2)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)NC[C@H](O)[*:1]
c1ccc(-c2nc3sc4c(c3c3nncn23)CCC4)cc1 c1ccc(cc1)[*:1] c1nnc2c3c4CCCc4sc3nc(n12)[*:1]
Cn1cccc(C(=O)NCc2cc(-c3ccc4c(c3)OCCO4)on2)c1=O Cn1cccc(c1=O)[*:1] O=C(NCc1cc(on1)-c1ccc2OCCOc2c1)[*:1]
COc1cc(F)cc(CNC(=O)Cc2nc(-c3ccsc3)oc2C)c1 c1cc(cs1)[*:1] COc1cc(F)cc(c1)CNC(=O)Cc1nc(oc1C)[*:1]
COCc1ccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)cc1 COC[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](C)N(C1)C(=O)c1ccc(cc1)[*:1]
COCc1ccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)cc1 COc1ccc(cc1)[*:1] COCc1ccc(cc1)C(=O)N1C[C@H](C[C@H]1C)[*:1]
O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc(-c2ccccn2)ccc1Cl c1ccc(nc1)[*:1] O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc(ccc1Cl)[*:1]
COc1cc(CNC(=O)c2cnc3c(cnn3C(C)C)c2)ccn1 CC(C)[*:1] COc1cc(ccn1)CNC(=O)c1cnc2c(cnn2[*:1])c1
COc1cc(CNC(=O)c2cnc3c(cnn3C(C)C)c2)ccn1 COc1cc(ccn1)[*:1] CC(C)n1ncc2cc(cnc21)C(=O)NC[*:1]
CCC[C@@H]1C[C@H]1NC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] CCC[C@@H]1C[C@H]1NC(=O)N1CCN(CC1)C(=O)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 CCC[*:1] O=C(N[C@@H]1C[C@H]1[*:1])N1CCN(CC1)C(=O)c1ccc(O)cc1
C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C/[NH+]=C(/NCc1cn2ccsc2n1)N[*:1]
Cn1cnc(CNC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1 Cn1cnc(C[*:1])n1 O=C(N[*:1])N1CCO[C@@H](C1)c1ccc(F)c(F)c1
Cn1cnc(CNC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1 Fc1ccc(cc1F)[*:1] Cn1cnc(CNC(=O)N2CCO[C@H](C2)[*:1])n1
Cn1cnc(CNC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])N1CCO[C@@H](C1)c1ccc(F)c(F)c1
Cc1nnc(SCC(=O)NCCn2cc(Cl)cn2)s1 Cc1nnc(s1)[*:1] O=C(CS[*:1])NCCn1cc(Cl)cn1
Cc1nnc(SCC(=O)NCCn2cc(Cl)cn2)s1 Clc1cnn(c1)[*:1] Cc1nnc(SCC(=O)NCC[*:1])s1
Brc1ccc(C[NH2+]Cc2ccnc(OC3CCC3)c2)cc1 Brc1ccc(cc1)[*:1] c1cc(cc(n1)OC1CCC1)C[NH2+]C[*:1]
Brc1ccc(C[NH2+]Cc2ccnc(OC3CCC3)c2)cc1 C1CC(C1)[*:1] Brc1ccc(cc1)C[NH2+]Cc1ccnc(c1)O[*:1]
Brc1ccc(C[NH2+]Cc2ccnc(OC3CCC3)c2)cc1 C1CC(C1)O[*:1] Brc1ccc(cc1)C[NH2+]Cc1ccnc(c1)[*:1]
CN(Cc1cccs1)C(=O)NCCOCC(=O)[O-] O=C([O-])[*:1] CN(Cc1cccs1)C(=O)NCCOC[*:1]
CN(Cc1cccs1)C(=O)NCCOCC(=O)[O-] O=C([O-])C[*:1] CN(Cc1cccs1)C(=O)NCCO[*:1]
CN(Cc1cccs1)C(=O)NCCOCC(=O)[O-] c1csc(c1)[*:1] CN(C[*:1])C(=O)NCCOCC(=O)[O-]
CN(Cc1cccs1)C(=O)NCCOCC(=O)[O-] c1csc(c1)C[*:1] CN(C(=O)NCCOCC(=O)[O-])[*:1]
CN(Cc1cccs1)C(=O)NCCOCC(=O)[O-] O=C([O-])CO[*:1] CN(Cc1cccs1)C(=O)NCC[*:1]
CN(Cc1cccs1)C(=O)NCCOCC(=O)[O-] O=C([O-])COC[*:1] CN(Cc1cccs1)C(=O)NC[*:1]
O=C(OCc1cc(-c2cc3ccccc3o2)on1)c1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(OCc1cc(on1)-c1cc2ccccc2o1)c1ncc(o1)[*:1]
O=C(OCc1cc(-c2cc3ccccc3o2)on1)c1ncc(-c2ccccc2)o1 c1ccc2oc(cc2c1)[*:1] O=C(OCc1cc(on1)[*:1])c1ncc(o1)-c1ccccc1
C[C@H]1CCN(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C[C@@H]1O Fc1cc(ccc1Cl)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)N[C@@H]1CCO[C@H]1[*:1]
COCc1cc([N+](=O)[O-])ccc1NC[C@](C)(O)c1ccco1 COC[*:1] C[C@](O)(CNc1ccc(cc1[*:1])[N+](=O)[O-])c1ccco1
COCc1cc([N+](=O)[O-])ccc1NC[C@](C)(O)c1ccco1 c1coc(c1)[*:1] COCc1cc(ccc1NC[C@](C)(O)[*:1])[N+](=O)[O-]
COCc1cc([N+](=O)[O-])ccc1NC[C@](C)(O)c1ccco1 O=[N+]([O-])[*:1] COCc1cc(ccc1NC[C@](C)(O)c1ccco1)[*:1]
CC(=O)c1ccc(NC(=O)N2CCC3(CC2)N=C(c2ccccc2)C(c2ccccc2)=N3)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])N1CCC2(CC1)N=C(C(=N2)c1ccccc1)c1ccccc1
CC(=O)c1ccc(NC(=O)N2CCC3(CC2)N=C(c2ccccc2)C(c2ccccc2)=N3)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)N1CCC2(CC1)N=C(C(=N2)[*:1])c1ccccc1
CC(=O)c1ccc(NC(=O)N2CCC3(CC2)N=C(c2ccccc2)C(c2ccccc2)=N3)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC2(CC1)N=C(C(=N2)c1ccccc1)c1ccccc1
O=C(c1c[nH]c2ccccc12)N(CCN1CCOCC1)c1nc2ccc(OC(F)(F)F)cc2s1 C1CN(CCO1)[*:1] O=C(c1c[nH]c2ccccc12)N(CC[*:1])c1nc2ccc(cc2s1)OC(F)(F)F
O=C(c1c[nH]c2ccccc12)N(CCN1CCOCC1)c1nc2ccc(OC(F)(F)F)cc2s1 FC(F)(F)[*:1] O=C(c1c[nH]c2ccccc12)N(CCN1CCOCC1)c1nc2ccc(cc2s1)O[*:1]
O=C(c1c[nH]c2ccccc12)N(CCN1CCOCC1)c1nc2ccc(OC(F)(F)F)cc2s1 FC(F)(F)O[*:1] O=C(c1c[nH]c2ccccc12)N(CCN1CCOCC1)c1nc2ccc(cc2s1)[*:1]
O=C(c1c[nH]c2ccccc12)N(CCN1CCOCC1)c1nc2ccc(OC(F)(F)F)cc2s1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N(CCN1CCOCC1)c1nc2ccc(cc2s1)OC(F)(F)F)[*:1]
O=C(c1c[nH]c2ccccc12)N(CCN1CCOCC1)c1nc2ccc(OC(F)(F)F)cc2s1 C1CN(CCO1)C[*:1] O=C(c1c[nH]c2ccccc12)N(C[*:1])c1nc2ccc(cc2s1)OC(F)(F)F
O=C(c1c[nH]c2ccccc12)N(CCN1CCOCC1)c1nc2ccc(OC(F)(F)F)cc2s1 C1CN(CCO1)CC[*:1] O=C(c1c[nH]c2ccccc12)N(c1nc2ccc(cc2s1)OC(F)(F)F)[*:1]
COc1ccccc1CNC(=O)C[C@@H](NC(N)=O)c1cccs1 c1csc(c1)[*:1] COc1ccccc1CNC(=O)C[C@@H](NC(N)=O)[*:1]
COc1ccccc1CNC(=O)C[C@@H](NC(N)=O)c1cccs1 NC(=O)N[*:1] COc1ccccc1CNC(=O)C[C@@H](c1cccs1)[*:1]
Cc1ccc(NC(=O)CSc2nc(=O)ccn2C2CC2)c(Cl)c1 C1CC1[*:1] Cc1ccc(NC(=O)CSc2nc(=O)ccn2[*:1])c(Cl)c1
Cc1ccc(F)cc1S(=O)(=O)N1CCc2c(c(COCc3ccc(F)cc3Cl)nn2C)C1 Cc1ccc(F)cc1[*:1] Cn1nc(COCc2ccc(F)cc2Cl)c2CN(CCc21)S(=O)(=O)[*:1]
Cc1ccc(F)cc1S(=O)(=O)N1CCc2c(c(COCc3ccc(F)cc3Cl)nn2C)C1 Fc1ccc(C[*:1])c(Cl)c1 Cc1ccc(F)cc1S(=O)(=O)N1CCc2c(C1)c(CO[*:1])nn2C
Cc1ccc(F)cc1S(=O)(=O)N1CCc2c(c(COCc3ccc(F)cc3Cl)nn2C)C1 Fc1ccc(c(Cl)c1)[*:1] Cc1ccc(F)cc1S(=O)(=O)N1CCc2c(C1)c(COC[*:1])nn2C
Cc1ccc(F)cc1S(=O)(=O)N1CCc2c(c(COCc3ccc(F)cc3Cl)nn2C)C1 Fc1ccc(CO[*:1])c(Cl)c1 Cc1ccc(F)cc1S(=O)(=O)N1CCc2c(C1)c(C[*:1])nn2C
CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2nc(C(C)C)nn2C)C1 CC(C)[*:1] CC(C)c1nc(NC(=O)N[C@@H]2CCC[C@H](C2)C(=O)N[*:1])n(C)n1
CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2nc(C(C)C)nn2C)C1 CC(C)NC(=O)[*:1] CC(C)c1nc(NC(=O)N[C@@H]2CCC[C@H](C2)[*:1])n(C)n1
CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2nc(C(C)C)nn2C)C1 CC(C)[*:1] CC(C)NC(=O)[C@@H]1CCC[C@H](C1)NC(=O)Nc1nc(nn1C)[*:1]
CCOCCN(C)C(=O)c1ncccc1OC(C)C CCO[*:1] CC(C)Oc1cccnc1C(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)c1ncccc1OC(C)C CC(C)O[*:1] CCOCCN(C)C(=O)c1ncccc1[*:1]
CCOCCN(C)C(=O)c1ncccc1OC(C)C CC(C)[*:1] CCOCCN(C)C(=O)c1ncccc1O[*:1]
CCOCCN(C)C(=O)c1ncccc1OC(C)C CCOC[*:1] CC(C)Oc1cccnc1C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)c1ncccc1OC(C)C CCOCC[*:1] CC(C)Oc1cccnc1C(=O)N(C)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(C)(C)C2(C)C)cc1 CN(C)S(=O)(=O)[*:1] CC1(C)CN(C(=O)c2ccc(cc2)[*:1])C1(C)C
CC(C)Cn1cc(NC(=O)C[C@H](NC(N)=O)c2cccs2)cn1 c1csc(c1)[*:1] CC(C)Cn1cc(cn1)NC(=O)C[C@H](NC(N)=O)[*:1]
CC(C)Cn1cc(NC(=O)C[C@H](NC(N)=O)c2cccs2)cn1 CC(C)[*:1] NC(=O)N[C@@H](CC(=O)Nc1cnn(c1)C[*:1])c1cccs1
CC(C)Cn1cc(NC(=O)C[C@H](NC(N)=O)c2cccs2)cn1 NC(=O)N[*:1] CC(C)Cn1cc(cn1)NC(=O)C[C@H](c1cccs1)[*:1]
CC(C)Cn1cc(NC(=O)C[C@H](NC(N)=O)c2cccs2)cn1 CC(C)C[*:1] NC(=O)N[C@@H](CC(=O)Nc1cnn(c1)[*:1])c1cccs1
Cc1cnccc1CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] Cc1cnccc1CC[NH2+][C@@H]1CCC[C@H](C1)[*:1]
COCc1cc(C)nc2sc3c(=O)[nH]c(C)nc3c12 COC[*:1] Cc1cc(c2c(n1)sc1c(=O)[nH]c(C)nc12)[*:1]
S=C(NCC1CCCCC1)NC1CCCCCC1 C1CCC(CC1)[*:1] S=C(NC[*:1])NC1CCCCCC1
C[C@@H]1CCc2c(sc3[nH]c(=S)n(CCc4ccc(F)cc4)c(=O)c23)C1 Fc1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc1[nH]c(=S)n(CC[*:1])c(=O)c21
C[C@@H]1CCc2c(sc3[nH]c(=S)n(CCc4ccc(F)cc4)c(=O)c23)C1 Fc1ccc(cc1)C[*:1] C[C@@H]1CCc2c(C1)sc1[nH]c(=S)n(C[*:1])c(=O)c21
CCOc1ccc2nc(SCC(=O)Nc3ccc(SC)cc3)sc2c1 CCO[*:1] CSc1ccc(cc1)NC(=O)CSc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(SCC(=O)Nc3ccc(SC)cc3)sc2c1 CSc1ccc(cc1)[*:1] CCOc1ccc2nc(SCC(=O)N[*:1])sc2c1
Cc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)ccc1N1CCCC1=O Clc1cccc(c1Cl)[*:1] Cc1cc(ccc1N1CCCC1=O)NS(=O)(=O)[*:1]
Cc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)ccc1N1CCCC1=O O=C1CCCN1[*:1] Cc1cc(ccc1[*:1])NS(=O)(=O)c1cccc(Cl)c1Cl
CN(C)C(=O)CN(C)C(=O)c1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] CN(C)C(=O)CN(C)C(=O)c1cccc(c1)C[*:1]
CN(C)C(=O)CN(C)C(=O)c1cccc(CS(C)(=O)=O)c1 CN(C)C(=O)C[*:1] CN(C(=O)c1cccc(c1)CS(C)(=O)=O)[*:1]
CN(C)C(=O)CN(C)C(=O)c1cccc(CS(C)(=O)=O)c1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)c1cccc(c1)CS(C)(=O)=O
CN(C)C(=O)CN(C)C(=O)c1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] CN(C)C(=O)CN(C)C(=O)c1cccc(c1)[*:1]
Cc1ccc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 Cc1ccc(cc1)S[*:1] CC(C)c1cccc(c1NC(=O)C[*:1])C(C)C
Cc1ccc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)c1cccc(c1NC(=O)CS[*:1])C(C)C
Cc1ccc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)SCC(=O)Nc1c(cccc1[*:1])C(C)C
C[C@@H]1CNCc2cc(C(F)(F)F)cnc21 FC(F)(F)[*:1] C[C@@H]1CNCc2cc(cnc21)[*:1]
O=C(C1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1)N1CCCCC1 c1ccc(cc1)S[*:1] O=C(C1CCN(CC1)C(=O)[C@H](c1ccccc1)[*:1])N1CCCCC1
O=C(C1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)C(=O)[C@H](S[*:1])c1ccccc1)N1CCCCC1
O=C(C1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCC(CC1)[*:1]
O=C(C1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)C(=O)[C@H](Sc1ccccc1)[*:1])N1CCCCC1
COCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl COC[*:1] Clc1cccc(Cl)c1Cn1c(nc2ccccc21)[*:1]
Cn1cccc1CN1CCN(C(=O)c2ccccc2F)CC1 Cn1cccc1[*:1] O=C(c1ccccc1F)N1CCN(CC1)C[*:1]
Cn1cccc1CN1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] Cn1cccc1CN1CCN(CC1)C(=O)[*:1]
Cn1cccc1CN1CCN(C(=O)c2ccccc2F)CC1 Cn1cccc1C[*:1] O=C(c1ccccc1F)N1CCN(CC1)[*:1]
C[C@@H]1OCC[C@@H]1c1nnc(-c2cccc(C(=O)[O-])c2)o1 O=C([O-])[*:1] C[C@@H]1OCC[C@@H]1c1nnc(o1)-c1cccc(c1)[*:1]
O=C(NC1CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 C1CCC(CC1)[*:1] O=C(N[*:1])c1cc(c[nH]1)S(=O)(=O)N1CCCCC1
CS(=O)(=O)N1CCc2ccc(NC(=O)NCCc3ccccc3)cc21 c1ccc(cc1)C[*:1] CS(=O)(=O)N1CCc2ccc(cc21)NC(=O)NC[*:1]
CS(=O)(=O)N1CCc2ccc(NC(=O)NCCc3ccccc3)cc21 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCc2ccc(cc21)NC(=O)NCC[*:1]
CS(=O)(=O)N1CCc2ccc(NC(=O)NCCc3ccccc3)cc21 c1ccc(cc1)CC[*:1] CS(=O)(=O)N1CCc2ccc(cc21)NC(=O)N[*:1]
CC(C)(C)OC(=O)N1CC[C@H](CCI)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H](CCI)C1
CC(C)(C)OC(=O)N1CC[C@H](CCI)C1 ICC[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCC[C@H](C)C3)CC2)cc1C Cc1ccc(cc1C)[*:1] C[C@H]1CCCN(C1)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
O=S1(=O)CC[C@H](S(=O)(=O)NC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] O=S1(=O)CC[C@@H](C1)S(=O)(=O)NC[*:1]
O=C1CC2(CCCCC2)C(=O)N1CC(=O)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C1CC2(CCCCC2)C(=O)N1CC(=O)N(Cc1ccccc1)[*:1]
O=C1CC2(CCCCC2)C(=O)N1CC(=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C1CC2(CCCCC2)C(=O)N1CC(=O)N(C1CC1)[*:1]
O=C1CC2(CCCCC2)C(=O)N1CC(=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C1CC2(CCCCC2)C(=O)N1CC(=O)N(C[*:1])C1CC1
C[C@@H](SCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](SCCN1C(=O)c2ccccc2S1(=O)=O)[*:1]
NC(=O)N1CCC([NH+](CCc2ccc(Cl)cc2)CC2CC2)CC1 Clc1ccc(cc1)[*:1] NC(=O)N1CCC(CC1)[NH+](CC[*:1])CC1CC1
NC(=O)N1CCC([NH+](CCc2ccc(Cl)cc2)CC2CC2)CC1 C1CC1[*:1] NC(=O)N1CCC(CC1)[NH+](CCc1ccc(Cl)cc1)C[*:1]
NC(=O)N1CCC([NH+](CCc2ccc(Cl)cc2)CC2CC2)CC1 C1CC1C[*:1] NC(=O)N1CCC(CC1)[NH+](CCc1ccc(Cl)cc1)[*:1]
Cc1cc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)nc(C)n1 Fc1ccc(cc1F)C[*:1] Cc1cc(nc(C)n1)C(=O)N1CCC[C@H](CCC(=O)N[*:1])C1
Cc1cc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)nc(C)n1 Fc1ccc(cc1F)[*:1] Cc1cc(nc(C)n1)C(=O)N1CCC[C@H](CCC(=O)NC[*:1])C1
Cc1cc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)nc(C)n1 Cc1cc(nc(C)n1)[*:1] O=C(CC[C@H]1CCCN(C1)C(=O)[*:1])NCc1ccc(F)c(F)c1
CCOc1cccc(/C=N\c2ccc(NS(=O)(=O)CC)c(C)c2)c1O CCS(=O)(=O)N[*:1] CCOc1cccc(/C=N\c2ccc(c(C)c2)[*:1])c1O
CCOc1cccc(/C=N\c2ccc(NS(=O)(=O)CC)c(C)c2)c1O CCO[*:1] CCS(=O)(=O)Nc1ccc(cc1C)/N=C\c1cccc(c1O)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)NNC(=O)Nc1ccccc1 Cc1ccc(cc1)C[*:1] CC[C@H](NC(=O)NNC(=O)Nc1ccccc1)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)NNC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](Cc1ccc(C)cc1)NC(=O)NNC(=O)N[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)NNC(=O)Nc1ccccc1 Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)NNC(=O)Nc1ccccc1
CS[C@H](CNC(=O)NNC(=O)c1ccc(C)o1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CS[C@H](CNC(=O)NNC(=O)c1ccc(C)o1)[*:1]
CS[C@H](CNC(=O)NNC(=O)c1ccc(C)o1)c1cccc(Cl)c1 Cc1ccc(o1)[*:1] CS[C@H](CNC(=O)NNC(=O)[*:1])c1cccc(Cl)c1
CCOc1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 Fc1cccc(c1)[*:1] CCOc1ccc(cc1)NC(=O)CN(S(C)(=O)=O)[*:1]
CCOc1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 CCO[*:1] CS(=O)(=O)N(CC(=O)Nc1ccc(cc1)[*:1])c1cccc(F)c1
Cn1ncnc1CCNC(=O)CSc1cccc2cccc(Cl)c12 Cn1ncnc1[*:1] O=C(CSc1cccc2cccc(Cl)c12)NCC[*:1]
Cn1ncnc1CCNC(=O)CSc1cccc2cccc(Cl)c12 Cn1ncnc1CC[*:1] O=C(CSc1cccc2cccc(Cl)c12)N[*:1]
Cn1ncnc1CCNC(=O)CSc1cccc2cccc(Cl)c12 Cn1ncnc1C[*:1] O=C(CSc1cccc2cccc(Cl)c12)NC[*:1]
Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(=O)N(CCOc4ccccc4)CC3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C1CCN(CCN1CCOc1ccccc1)C(=O)c1ccc(cc1)C[*:1]
Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(=O)N(CCOc4ccccc4)CC3)cc2)n1 c1ccc(cc1)OCC[*:1] Cc1cc(C)n(Cc2ccc(cc2)C(=O)N2CCC(=O)N(CC2)[*:1])n1
Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(=O)N(CCOc4ccccc4)CC3)cc2)n1 Cc1cc(C)n(C[*:1])n1 O=C1CCN(CCN1CCOc1ccccc1)C(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(=O)N(CCOc4ccccc4)CC3)cc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(Cc2ccc(cc2)C(=O)N2CCC(=O)N(CCO[*:1])CC2)n1
Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(=O)N(CCOc4ccccc4)CC3)cc2)n1 c1ccc(cc1)O[*:1] Cc1cc(C)n(Cc2ccc(cc2)C(=O)N2CCC(=O)N(CC2)CC[*:1])n1
Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(=O)N(CCOc4ccccc4)CC3)cc2)n1 c1ccc(cc1)OC[*:1] Cc1cc(C)n(Cc2ccc(cc2)C(=O)N2CCC(=O)N(CC2)C[*:1])n1
CC(C)S(=O)(=O)CC(=O)N1CCCc2cc(F)ccc21 CC(C)S(=O)(=O)[*:1] O=C(C[*:1])N1CCCc2cc(F)ccc21
CC(C)S(=O)(=O)CC(=O)N1CCCc2cc(F)ccc21 CC(C)[*:1] O=C(CS(=O)(=O)[*:1])N1CCCc2cc(F)ccc21
O=C(CCl)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 c1csc(c1)[*:1] O=C(CCl)N1N=C(C[C@@H]1c1ccccc1)[*:1]
O=C(CCl)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CCl)N1N=C(C[C@H]1[*:1])c1cccs1
CCCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 CCC[*:1] CC1CC[NH+](CC1)Cc1cccc(c1)CNC(=O)N[*:1]
CCCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 CCCNC(=O)N[*:1] CC1CC[NH+](CC1)Cc1cccc(c1)C[*:1]
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(C(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 CC(C)[*:1] CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(cc2)[*:1])[C@H]2C(=O)N(CC)C(=O)[C@@H]21
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(C(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 CC(C)c1ccc(cc1)[*:1] CCOC(=O)[C@]1(C)[NH2+][C@@H]([C@H]2C(=O)N(CC)C(=O)[C@@H]21)[*:1]
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(C(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 CCOC(=O)[*:1] CCN1C(=O)[C@H]2[C@H](C1=O)[C@](C)([NH2+][C@H]2c1ccc(cc1)C(C)C)[*:1]
C[NH2+][C@]1(C(=O)[O-])CC[C@H](SC2CCCCC2)C1 O=C([O-])[*:1] C[NH2+][C@@]1(CC[C@@H](C1)SC1CCCCC1)[*:1]
CCN(C(=O)N(CCOC)CC(=O)[O-])C1CCCC1 O=C([O-])C[*:1] CCN(C(=O)N(CCOC)[*:1])C1CCCC1
CCN(C(=O)N(CCOC)CC(=O)[O-])C1CCCC1 COC[*:1] CCN(C(=O)N(CC(=O)[O-])C[*:1])C1CCCC1
CCN(C(=O)N(CCOC)CC(=O)[O-])C1CCCC1 O=C([O-])[*:1] CCN(C(=O)N(CCOC)C[*:1])C1CCCC1
CCN(C(=O)N(CCOC)CC(=O)[O-])C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)N(CCOC)CC(=O)[O-])[*:1]
CCN(C(=O)N(CCOC)CC(=O)[O-])C1CCCC1 COCC[*:1] CCN(C(=O)N(CC(=O)[O-])[*:1])C1CCCC1
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)NCCO)c3)c(=O)c2c1 C=C(C)C[*:1] Cc1nc2ccc(cc2c(=O)n1-c1cccc(c1)C(=O)NCCO)O[*:1]
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)NCCO)c3)c(=O)c2c1 OCC[*:1] C=C(C)COc1ccc2nc(C)n(-c3cccc(c3)C(=O)N[*:1])c(=O)c2c1
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)NCCO)c3)c(=O)c2c1 C=C(C)CO[*:1] Cc1nc2ccc(cc2c(=O)n1-c1cccc(c1)C(=O)NCCO)[*:1]
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)NCCO)c3)c(=O)c2c1 O=C(NCCO)[*:1] C=C(C)COc1ccc2nc(C)n(-c3cccc(c3)[*:1])c(=O)c2c1
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)NCCO)c3)c(=O)c2c1 C=C(C)[*:1] Cc1nc2ccc(cc2c(=O)n1-c1cccc(c1)C(=O)NCCO)OC[*:1]
Fc1ccc(-n2cc(CN3CCC[C@@H](c4[nH]ncc4-c4c(F)cccc4F)C3)cn2)cc1 Fc1ccc(cc1)[*:1] Fc1cccc(F)c1-c1cn[nH]c1[C@@H]1CCCN(Cc2cnn(c2)[*:1])C1
Fc1ccc(-n2cc(CN3CCC[C@@H](c4[nH]ncc4-c4c(F)cccc4F)C3)cn2)cc1 Fc1cccc(F)c1[*:1] Fc1ccc(cc1)-n1cc(cn1)CN1CCC[C@H](C1)c1[nH]ncc1[*:1]
COc1ccccc1CNC(=O)CN(c1ccccc1C)S(C)(=O)=O COc1ccccc1[*:1] Cc1ccccc1N(CC(=O)NC[*:1])S(C)(=O)=O
COc1ccccc1CNC(=O)CN(c1ccccc1C)S(C)(=O)=O Cc1ccccc1[*:1] COc1ccccc1CNC(=O)CN(S(C)(=O)=O)[*:1]
COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@H]2CCN(C(C)=O)C2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](C[*:1])[NH2+][C@H]1CCN(C1)C(C)=O
COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@H]2CCN(C(C)=O)C2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@H]([NH2+][C@H]1CCN(C1)C(C)=O)[*:1]
COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@H]2CCN(C(C)=O)C2)cc1 COc1ccc(cc1)[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](Cc1ccc(F)cc1)[*:1]
C=CCOc1cccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2ccco2)c1 c1coc(c1)C[*:1] C=CCOc1cccc(c1)[C@@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1cc(C)cc(C)c1O
C=CCOc1cccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2ccco2)c1 C=CCOc1cccc(c1)[*:1] Cc1cc(C)c(O)c(c1)-c1n[nH]c2C(=O)N(Cc3ccco3)[C@@H](c12)[*:1]
C=CCOc1cccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2ccco2)c1 C=CCO[*:1] Cc1cc(C)c(O)c(c1)-c1n[nH]c2C(=O)N(Cc3ccco3)[C@H](c3cccc(c3)[*:1])c12
C=CCOc1cccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2ccco2)c1 c1coc(c1)[*:1] C=CCOc1cccc(c1)[C@@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1cc(C)cc(C)c1O
C=CCOc1cccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2ccco2)c1 C=CC[*:1] Cc1cc(C)c(O)c(c1)-c1n[nH]c2C(=O)N(Cc3ccco3)[C@H](c3cccc(c3)O[*:1])c12
C=CCOc1cccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2ccco2)c1 Cc1cc(C)c(O)c(c1)[*:1] C=CCOc1cccc(c1)[C@@H]1c2c(n[nH]c2C(=O)N1Cc1ccco1)[*:1]
O=C([O-])CC1(CC(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4-c4ccccc4)CO[C@H]23)CCCC1 c1ccc(cc1)[*:1] O=C([O-])CC1(CCCC1)CC(=O)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)n1nnnc1[*:1]
O=C([O-])CC1(CC(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4-c4ccccc4)CO[C@H]23)CCCC1 O=C([O-])[*:1] O=C(CC1(CCCC1)C[*:1])N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)n1nnnc1-c1ccccc1
O=C([O-])CC1(CC(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4-c4ccccc4)CO[C@H]23)CCCC1 O=C([O-])C[*:1] O=C(CC1(CCCC1)[*:1])N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)n1nnnc1-c1ccccc1
COc1ccc(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)c1[nH]c(C)c(C(=O)O[*:1])c1C
COc1ccc(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)cc1 COc1ccc(cc1)[*:1] Cc1[nH]c(C(=O)N[*:1])c(C)c1C(=O)OC(C)C
COc1ccc(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)cc1 CC(C)OC(=O)[*:1] COc1ccc(cc1)NC(=O)c1[nH]c(C)c(c1C)[*:1]
Cc1cccc2cnn(CCC(=O)N[C@H](C)c3ccccc3)c12 c1ccc(cc1)[*:1] Cc1cccc2cnn(CCC(=O)N[C@H](C)[*:1])c12
Cc1ccc(NC(=O)C[C@H](O)c2ccccc2)cc1OCC(F)F c1ccc(cc1)[*:1] Cc1ccc(cc1OCC(F)F)NC(=O)C[C@H](O)[*:1]
Cc1ccc(NC(=O)C[C@H](O)c2ccccc2)cc1OCC(F)F FC(F)C[*:1] Cc1ccc(cc1O[*:1])NC(=O)C[C@H](O)c1ccccc1
Cc1ccc(NC(=O)C[C@H](O)c2ccccc2)cc1OCC(F)F O[C@H](c1ccccc1)[*:1] Cc1ccc(cc1OCC(F)F)NC(=O)C[*:1]
Cc1ccc(NC(=O)C[C@H](O)c2ccccc2)cc1OCC(F)F FC(F)[*:1] Cc1ccc(cc1OC[*:1])NC(=O)C[C@H](O)c1ccccc1
Cc1ccc(NC(=O)C[C@H](O)c2ccccc2)cc1OCC(F)F FC(F)CO[*:1] Cc1ccc(cc1[*:1])NC(=O)C[C@H](O)c1ccccc1
CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 CC(C)[C@H](C)[*:1] O=C(Nc1cc(Br)ccc1-n1cccn1)C(=O)N[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 CC(C)[*:1] C[C@H](NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1)[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 c1cnn(c1)[*:1] CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1[*:1]
O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1[*:1]
O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1C[C@@H]1CCCO1 O=[N+]([O-])[*:1] O=c1c2cnn(-c3ccccc3[*:1])c2ncn1C[C@@H]1CCCO1
Cc1c(Cl)cccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nc2[nH]ncc2c1=O O=C(c1ccc(Cl)cc1)[*:1] Cc1c(Cl)cccc1-n1c(nc2[nH]ncc2c1=O)SC[*:1]
Cc1c(Cl)cccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nc2[nH]ncc2c1=O Cc1c(Cl)cccc1[*:1] O=C(CSc1nc2[nH]ncc2c(=O)n1[*:1])c1ccc(Cl)cc1
Cc1c(Cl)cccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nc2[nH]ncc2c1=O Clc1ccc(cc1)[*:1] Cc1c(Cl)cccc1-n1c(nc2[nH]ncc2c1=O)SCC(=O)[*:1]
COc1ccc(-c2nn(CC(=O)Nc3cc(OC)cc(OC)c3)c(=O)c3noc(C)c23)cc1 COc1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)Cn1nc(c2c(C)onc2c1=O)[*:1]
COc1ccc(-c2nn(CC(=O)Nc3cc(OC)cc(OC)c3)c(=O)c3noc(C)c23)cc1 COc1cc(cc(c1)[*:1])OC COc1ccc(cc1)-c1nn(CC(=O)N[*:1])c(=O)c2noc(C)c12
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(c1cc(C(=O)[O-])cc[nH+]1)CC2 O=C([O-])[*:1] CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(CC2)c1cc(cc[nH+]1)[*:1]
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(c1cc(C(=O)[O-])cc[nH+]1)CC2 O=C([O-])[*:1] CN1C(=O)C[C@@H](C12CCN(CC2)c1cc(cc[nH+]1)C(=O)[O-])[*:1]
COc1ccc(OC)c(CN2CCN[C@@H](C(=O)N(C)C)C2)c1 CN(C)C(=O)[*:1] COc1ccc(OC)c(c1)CN1CCN[C@@H](C1)[*:1]
C[C@H](OC(=O)c1cnc(-c2ccccc2Cl)s1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)c1cnc(s1)-c1ccccc1Cl)[*:1]
C[C@H](OC(=O)c1cnc(-c2ccccc2Cl)s1)c1nccs1 Clc1ccccc1[*:1] C[C@H](OC(=O)c1cnc(s1)[*:1])c1nccs1
Cn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C Brc1ccc(cc1)C[*:1] Cn1c(nc2c1c(=O)n(c(=O)n2C)[*:1])N1CCC(CC1)C(N)=O
Cn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C Brc1ccc(cc1)[*:1] Cn1c(nc2c1c(=O)n(C[*:1])c(=O)n2C)N1CCC(CC1)C(N)=O
Cn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C NC(=O)[*:1] Cn1c(nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C)N1CCC(CC1)[*:1]
Cn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C NC(=O)C1CCN(CC1)[*:1] Cn1c(nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C)[*:1]
CCOC(=O)c1cc2ccsc2n1CC(=O)Nc1c(C)cc(C)cc1C CCOC(=O)[*:1] Cc1cc(C)c(NC(=O)Cn2c(cc3ccsc32)[*:1])c(C)c1
CC(C)[C@](C)(O)CNC(=O)Nc1ccnn1Cc1ccccn1 c1ccc(C[*:1])nc1 CC(C)[C@](C)(O)CNC(=O)Nc1ccnn1[*:1]
CC(C)[C@](C)(O)CNC(=O)Nc1ccnn1Cc1ccccn1 CC(C)[*:1] C[C@](O)(CNC(=O)Nc1ccnn1Cc1ccccn1)[*:1]
CC(C)[C@](C)(O)CNC(=O)Nc1ccnn1Cc1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@](C)(O)CNC(=O)Nc1ccnn1C[*:1]
O=[N+]([O-])c1ccc(COc2ccc(F)cc2Cl)cc1 O=[N+]([O-])[*:1] Fc1ccc(OCc2ccc(cc2)[*:1])c(Cl)c1
CC(C)N1CC[C@@H](NC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)C1=O CC(C)[*:1] O=C1[C@@H](CCN1[*:1])NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2
CCCc1nn(-c2ccc(OC)cc2)c(Cl)c1C=O CCC[*:1] COc1ccc(cc1)-n1nc(c(C=O)c1Cl)[*:1]
Cc1ccsc1C(=O)N[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccsc1C(=O)N[N-]S(=O)(=O)c1cc(F)ccc1[*:1]
Cc1ccsc1C(=O)N[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] Cc1ccsc1[*:1] O=C(N[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-])[*:1]
COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3ccsc3)[nH]c2C1 c1cc(cs1)[*:1] COc1ccccc1[C@@H]1CNC(=O)c2nc([nH]c2C1)[*:1]
COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3ccsc3)[nH]c2C1 COc1ccccc1[*:1] O=C1NC[C@H](Cc2[nH]c(nc21)-c1ccsc1)[*:1]
O=C(Cc1ccc(F)cc1)NNC(=O)C1(c2ccccc2)CCC1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NNC(=O)C1(CCC1)c1ccccc1
O=C(Cc1ccc(F)cc1)NNC(=O)C1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)NNC(=O)C1(CCC1)[*:1]
O=C(Cc1ccc(F)cc1)NNC(=O)C1(c2ccccc2)CCC1 Fc1ccc(cc1)C[*:1] O=C(NNC(=O)[*:1])C1(CCC1)c1ccccc1
CCN(C[C@H](C)C#N)C(=O)COc1ccccc1C(N)=O NC(=O)[*:1] CCN(C[C@H](C)C#N)C(=O)COc1ccccc1[*:1]
CCN(C[C@H](C)C#N)C(=O)COc1ccccc1C(N)=O C[C@H](C#N)C[*:1] CCN(C(=O)COc1ccccc1C(N)=O)[*:1]
O=C(CCCOc1ccc(F)cc1F)Nc1ccc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] O=C(CCCOc1ccc(F)cc1F)Nc1ccc(nc1)[*:1]
O=C(CCCOc1ccc(F)cc1F)Nc1ccc(N2CCOCC2)nc1 Fc1ccc(c(F)c1)[*:1] O=C(CCCO[*:1])Nc1ccc(nc1)N1CCOCC1
O=C(CCCOc1ccc(F)cc1F)Nc1ccc(N2CCOCC2)nc1 Fc1ccc(O[*:1])c(F)c1 O=C(CCC[*:1])Nc1ccc(nc1)N1CCOCC1
C[NH+](C)CCNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])c(O)c2)CC1 O=[N+]([O-])[*:1] C[NH+](C)CCNC(=O)C1CCN(CC1)Cc1ccc(c(O)c1)[*:1]
COc1cccc(OCC(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 c1cc(n[nH]1)[*:1] COc1cccc(c1)OCC(=O)Nc1ccc(cc1)[*:1]
COc1cccc(OCC(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 COc1cccc(c1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)-c1cc[nH]n1
O=C1CN(C(=O)C[NH+]2CCC(O)(C(F)(F)F)CC2)c2ccccc2N1 FC(F)(F)[*:1] O=C1CN(C(=O)C[NH+]2CCC(O)(CC2)[*:1])c2ccccc2N1
O=C1NC2(CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)CC2)Nc2ccccc21 C1CCC(CC1)[*:1] O=C1NC2(CCN(CC2)C(=O)[C@@H]2CC(=O)N(C2)[*:1])Nc2ccccc21
COC(=O)C1CCN(C(=O)NC[C@@H](OC)c2cccc(Cl)c2)CC1 COC(=O)[*:1] CO[C@H](CNC(=O)N1CCC(CC1)[*:1])c1cccc(Cl)c1
COC(=O)C1CCN(C(=O)NC[C@@H](OC)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COC(=O)C1CCN(CC1)C(=O)NC[C@@H](OC)[*:1]
Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](CC(=O)[O-])C2)c1 O=C([O-])[*:1] Cc1ccc(c(c1)N1CCC[C@@H](C1)C[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](CC(=O)[O-])C2)c1 O=C([O-])C[*:1] Cc1ccc(c(c1)N1CCC[C@H](C1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](CC(=O)[O-])C2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N1CCC[C@H](CC(=O)[O-])C1)[*:1]
CCOc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 CCO[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(cc1)[*:1])C2=O
O=C(c1ccc2ccccc2n1)N1CCc2sccc2[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(c1ccc2ccccc2n1)N1CCc2sccc2[C@@H]1[*:1]
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(Cc2cccnc2)CC1 c1cncc(c1)C[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(CC1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(Cc2cccnc2)CC1 Cc1ccccc1[*:1] C[C@H](NC(=O)[C@@H](C)N1CCN(CC1)Cc1cccnc1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(Cc2cccnc2)CC1 Cc1ccccc1[C@H](C)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)Cc1cccnc1
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(Cc2cccnc2)CC1 c1cncc(c1)[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(CC1)C[*:1]
COc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C[NH2+][C@H](c1cccc(F)c1)[*:1]
COc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)C[NH2+][C@H](c1ccccc1)[*:1]
COC(=O)c1c(NC(=O)c2c([O-])on[n+]2C)sc2c1CCCCCC2 COC(=O)[*:1] C[n+]1noc([O-])c1C(=O)Nc1sc2CCCCCCc2c1[*:1]
CCOC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)sc2c1CCC2 CCOC(=O)[*:1] C[C@H]1CN(CC(=O)Nc2sc3CCCc3c2[*:1])C[C@H](C)O1
CC(C)COC1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC1 CC(C)[*:1] CC(C)COC1CC[NH+](CC1)Cc1cc2cnn(c2nc1Cl)[*:1]
CC(C)COC1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC1 CC(C)C[*:1] CC(C)n1ncc2cc(C[NH+]3CCC(CC3)O[*:1])c(Cl)nc21
CC(C)COC1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC1 CC(C)[*:1] CC(C)n1ncc2cc(C[NH+]3CCC(CC3)OC[*:1])c(Cl)nc21
CC(C)COC1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC1 CC(C)CO[*:1] CC(C)n1ncc2cc(C[NH+]3CCC(CC3)[*:1])c(Cl)nc21
CCC(CC)(C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)(C(=O)NC1CCN(CC1)c1cccc(C)[nH+]1)[*:1]
Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1C Cc1cccc(NC(=O)[*:1])c1C O=C(OC[*:1])c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)COC(=O)c2ccc3C(=O)N(C[*:1])C(=O)c3c2)c1C
Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1C Cc1cccc(c1C)[*:1] O=C(COC(=O)c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1)N[*:1]
Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1C c1ccc(cc1)C[*:1] Cc1cccc(NC(=O)COC(=O)c2ccc3C(=O)N(C(=O)c3c2)[*:1])c1C
C[C@@H]1CCC[C@](O)([C@H](F)C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1CCC[C@@](O)(C1)[C@H](F)[*:1]
COCc1cccc(CNC(=O)CN2CCN(C(C)=O)CC2)c1 COC[*:1] CC(=O)N1CCN(CC1)CC(=O)NCc1cccc(c1)[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3F)cc2)C1 Fc1c(Cl)cccc1[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
C=CCN(Cc1cccs1)C(=O)c1cccc(OC)c1OC C=CC[*:1] COc1cccc(C(=O)N(Cc2cccs2)[*:1])c1OC
C=CCN(Cc1cccs1)C(=O)c1cccc(OC)c1OC c1csc(c1)C[*:1] C=CCN(C(=O)c1cccc(OC)c1OC)[*:1]
C=CCN(Cc1cccs1)C(=O)c1cccc(OC)c1OC c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)c1cccc(OC)c1OC
Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(Cl)(Cl)Cl O=C(N[*:1])C(Cl)(Cl)Cl Cc1ccc(cc1[*:1])-c1ccc(CO)o1
Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] Cc1ccc(cc1NC(=O)[*:1])-c1ccc(CO)o1
Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(Cl)(Cl)Cl OCc1ccc(o1)[*:1] Cc1ccc(cc1NC(=O)C(Cl)(Cl)Cl)[*:1]
O=C(NC1CCCC1)N(CCC(F)(F)F)CC1CC1 C1CC1[*:1] O=C(NC1CCCC1)N(CCC(F)(F)F)C[*:1]
O=C(NC1CCCC1)N(CCC(F)(F)F)CC1CC1 C1CC1C[*:1] O=C(NC1CCCC1)N(CCC(F)(F)F)[*:1]
O=C(NC1CCCC1)N(CCC(F)(F)F)CC1CC1 FC(F)(F)CC[*:1] O=C(NC1CCCC1)N(CC1CC1)[*:1]
O=C(NC1CCCC1)N(CCC(F)(F)F)CC1CC1 FC(F)(F)[*:1] O=C(NC1CCCC1)N(CC[*:1])CC1CC1
O=C(NC1CCCC1)N(CCC(F)(F)F)CC1CC1 C1CCC(C1)[*:1] O=C(N[*:1])N(CCC(F)(F)F)CC1CC1
O=C(NC1CCCC1)N(CCC(F)(F)F)CC1CC1 FC(F)(F)C[*:1] O=C(NC1CCCC1)N(CC1CC1)C[*:1]
C[C@@H]1CCC[C@H](OC(=O)/C=C/c2ccc(OCC#N)cc2)C1 N#CCO[*:1] C[C@@H]1CCC[C@@H](C1)OC(=O)/C=C/c1ccc(cc1)[*:1]
C[C@@H]1CCC[C@H](OC(=O)/C=C/c2ccc(OCC#N)cc2)C1 N#CC[*:1] C[C@@H]1CCC[C@@H](C1)OC(=O)/C=C/c1ccc(cc1)O[*:1]
C#CCN(CC1CC1)C(=O)c1ccn2cncc2c1 C#CC[*:1] O=C(c1ccn2cncc2c1)N(CC1CC1)[*:1]
C#CCN(CC1CC1)C(=O)c1ccn2cncc2c1 C1CC1[*:1] C#CCN(C[*:1])C(=O)c1ccn2cncc2c1
C#CCN(CC1CC1)C(=O)c1ccn2cncc2c1 C1CC1C[*:1] C#CCN(C(=O)c1ccn2cncc2c1)[*:1]
CC(C)[C@H]([NH3+])c1ccn(Cc2ccc(C(=O)[O-])cc2)c1 CC(C)[*:1] [NH3+][C@H](c1ccn(c1)Cc1ccc(cc1)C(=O)[O-])[*:1]
CC(C)[C@H]([NH3+])c1ccn(Cc2ccc(C(=O)[O-])cc2)c1 O=C([O-])[*:1] CC(C)[C@H]([NH3+])c1ccn(c1)Cc1ccc(cc1)[*:1]
CC(C)CNC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1 Fc1cccc(Cl)c1[*:1] CC(C)CNC(=O)c1ccc2c(=O)n(c3nn(C[*:1])c(=O)n3c2c1)C(C)C
CC(C)CNC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1 CC(C)C[*:1] CC(C)n1c(=O)c2ccc(cc2n2c(=O)n(Cc3c(F)cccc3Cl)nc12)C(=O)N[*:1]
CC(C)CNC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1 CC(C)[*:1] CC(C)n1c(=O)c2ccc(cc2n2c(=O)n(Cc3c(F)cccc3Cl)nc12)C(=O)NC[*:1]
CC(C)CNC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1 Fc1cccc(Cl)c1C[*:1] CC(C)CNC(=O)c1ccc2c(=O)n(c3nn(c(=O)n3c2c1)[*:1])C(C)C
CC(C)CNC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1 CC(C)[*:1] CC(C)CNC(=O)c1ccc2c(=O)n(c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1)[*:1]
CC(C)CNC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1 CC(C)CNC(=O)[*:1] CC(C)n1c(=O)c2ccc(cc2n2c(=O)n(Cc3c(F)cccc3Cl)nc12)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 COc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2ccccc2[N+](=O)[O-])N1Cc1ccco1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 c1coc(c1)C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1[N+](=O)[O-])[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 c1coc(c1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1[N+](=O)[O-]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccccc1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 COc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2[N+](=O)[O-])N1Cc1ccco1
CC(C)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] CC(C)[*:1] O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1[*:1]
CC(C)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)c1ccccc1NC(=O)Cc1ccccc1[*:1]
O=C(Nc1nc2c(s1)COc1ccccc1-2)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(Nc1nc2-c3ccccc3OCc2s1)N[*:1]
CN1C[C@@H](C(=O)NCC(=O)OCc2ccccc2)CC1=O c1ccc(cc1)C[*:1] CN1C[C@H](CC1=O)C(=O)NCC(=O)O[*:1]
CN1C[C@@H](C(=O)NCC(=O)OCc2ccccc2)CC1=O c1ccc(cc1)[*:1] CN1C[C@H](CC1=O)C(=O)NCC(=O)OC[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)OCCO2 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc2OCCOc2c1
Cc1n[nH]c(-c2cccc(CNC(=O)c3ccc4nncn4c3)c2)n1 Cc1n[nH]c(n1)[*:1] O=C(NCc1cccc(c1)[*:1])c1ccc2nncn2c1
CC[C@H](C)c1ccccc1NC(=O)c1ccc(C)o1 CC[C@H](C)[*:1] Cc1ccc(o1)C(=O)Nc1ccccc1[*:1]
CC[C@H](C)c1ccccc1NC(=O)c1ccc(C)o1 Cc1ccc(o1)[*:1] CC[C@H](C)c1ccccc1NC(=O)[*:1]
CCOC(=O)c1cnc(S[C@H](CC)C(=O)[O-])nc1N CCOC(=O)[*:1] CC[C@@H](Sc1ncc(c(N)n1)[*:1])C(=O)[O-]
CCOC(=O)c1cnc(S[C@H](CC)C(=O)[O-])nc1N O=C([O-])[*:1] CCOC(=O)c1cnc(nc1N)S[C@H](CC)[*:1]
Cc1cc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)no1 Cc1cc(no1)[*:1] Cc1noc2nc(cc(C(=O)N[*:1])c12)-c1ccccc1F
Cc1cc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)no1 Fc1ccccc1[*:1] Cc1cc(no1)NC(=O)c1cc(nc2onc(C)c12)[*:1]
CCOC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 CCOC(=O)N[*:1] c1ccc2c(c1)OC1(CCCCC1)C[C@H]2[*:1]
O=C(OC1CCCC1)c1cc(N2CCCC2=O)ccc1Cl C1CCC(C1)[*:1] O=C(O[*:1])c1cc(ccc1Cl)N1CCCC1=O
O=C(OC1CCCC1)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] O=C(OC1CCCC1)c1cc(ccc1Cl)[*:1]
Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)N4CCCCCC4)C3)ncn2)n1 Cc1cc(C)n(n1)[*:1] O=C([C@@H]1CCCN(C1)c1cc(ncn1)[*:1])N1CCCCCC1
Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)N4CCCCCC4)C3)ncn2)n1 O=C(N1CCCCCC1)[*:1] Cc1cc(C)n(n1)-c1cc(ncn1)N1CCC[C@@H](C1)[*:1]
O=C(NC[C@H]1CN(C2CC2)CCO1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(NC[C@H]1CN(CCO1)[*:1])c1nc(C2CC2)n2ccccc12
O=C(NC[C@H]1CN(C2CC2)CCO1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(NC[C@H]1CN(CCO1)C1CC1)c1nc(n2ccccc12)[*:1]
C#CCN1CCC(C(=O)Nc2ccc(Br)nc2C)CC1 C#CC[*:1] Cc1nc(Br)ccc1NC(=O)C1CCN(CC1)[*:1]
COc1ccccc1C(=O)NNC(=O)NCC1(C)Cc2ccccc2C1 COc1ccccc1[*:1] CC1(CNC(=O)NNC(=O)[*:1])Cc2ccccc2C1
O=C(CSc1nnc(NC(=O)C2CCC2)s1)c1ccc(F)cc1 O=C(N[*:1])C1CCC1 O=C(CSc1nnc(s1)[*:1])c1ccc(F)cc1
O=C(CSc1nnc(NC(=O)C2CCC2)s1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(SCC(=O)[*:1])s1)C1CCC1
O=C(CSc1nnc(NC(=O)C2CCC2)s1)c1ccc(F)cc1 C1CC(C1)[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)c1ccc(F)cc1
NS(=O)(=O)c1ccc2c(c1)N(C1CCCC1)CCC2 C1CCC(C1)[*:1] NS(=O)(=O)c1ccc2CCCN(c2c1)[*:1]
NS(=O)(=O)c1ccc2c(c1)N(C1CCCC1)CCC2 NS(=O)(=O)[*:1] c1cc2CCCN(c2cc1[*:1])C1CCCC1
CC(C)=CCC[C@H](C)[NH2+]CC1(O)CCOCC1 CC(C)=C[*:1] C[C@@H](CC[*:1])[NH2+]CC1(O)CCOCC1
CC(C)=CCC[C@H](C)[NH2+]CC1(O)CCOCC1 CC(C)=CC[*:1] C[C@@H](C[*:1])[NH2+]CC1(O)CCOCC1
CSc1ncc(Cl)c(C(=O)Nc2ccsc2C(=O)[O-])n1 O=C([O-])[*:1] CSc1ncc(Cl)c(n1)C(=O)Nc1ccsc1[*:1]
Cc1ccc(N2C(N)=[NH+]C[C@]23C[C@@H](C)CC(C)(C)C3)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C[NH+]=C(N)N2[*:1])C1
C/C(Cc1ccccc1)=N\NC(=O)c1c[nH]c(=O)[nH]c1=O c1ccc(cc1)[*:1] C/C(C[*:1])=N\NC(=O)c1c[nH]c(=O)[nH]c1=O
C/C(Cc1ccccc1)=N\NC(=O)c1c[nH]c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CC(=NNC(=O)c1c[nH]c(=O)[nH]c1=O)[*:1]
CC[C@H](CNC(=O)c1cc(S(=O)(=O)NC)cn1C)[NH+]1CCCC1 CNS(=O)(=O)[*:1] CC[C@H](CNC(=O)c1cc(cn1C)[*:1])[NH+]1CCCC1
COc1ccc(C(=O)Nc2nonc2-c2cc(C)ccc2C)cc1Cl Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1Cl)C(=O)Nc1nonc1[*:1]
C[C@H]1CN(c2ccccc2NC(=O)NCCCSc2ccccc2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1NC(=O)NCCCS[*:1]
C[C@H]1CN(c2ccccc2NC(=O)NCCCSc2ccccc2)C[C@H](C)O1 c1ccc(cc1)SCC[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1NC(=O)NC[*:1]
C[C@H]1CN(c2ccccc2NC(=O)NCCCSc2ccccc2)C[C@H](C)O1 c1ccc(cc1)S[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1NC(=O)NCCC[*:1]
C[C@H]1CN(c2ccccc2NC(=O)NCCCSc2ccccc2)C[C@H](C)O1 c1ccc(cc1)SC[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1NC(=O)NCC[*:1]
Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4cccs4)CC3)ncn2)n1 c1csc(c1)[*:1] Cc1cc(C)n(n1)-c1cc(ncn1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4cccs4)CC3)ncn2)n1 Cc1cc(C)n(n1)[*:1] O=S(=O)(c1cccs1)N1CCN(CC1)c1cc(ncn1)[*:1]
CCN(C(C)=O)c1nc(/C=C2/C(=O)Nc3ccccc32)cs1 CCN(C(C)=O)[*:1] O=C1Nc2ccccc2/C1=C\c1csc(n1)[*:1]
CCc1ccccc1CNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] CCc1ccccc1CNC(=O)CCc1nnc(o1)[*:1]
CCc1ccccc1CNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 CCc1ccccc1[*:1] O=C(CCc1nnc(o1)-c1ccc(Cl)cc1)NC[*:1]
C[C@H](Nc1cccc(F)c1C(=O)[O-])c1nccs1 c1csc(n1)[*:1] C[C@H](Nc1cccc(F)c1C(=O)[O-])[*:1]
C[C@H](Nc1cccc(F)c1C(=O)[O-])c1nccs1 O=C([O-])[*:1] C[C@H](Nc1cccc(F)c1[*:1])c1nccs1
Cc1cc(NC(=O)C[C@H](C)c2ccccc2F)c(C(N)=O)cc1F Fc1ccccc1[*:1] Cc1cc(NC(=O)C[C@H](C)[*:1])c(cc1F)C(N)=O
Cc1cc(NC(=O)C[C@H](C)c2ccccc2F)c(C(N)=O)cc1F NC(=O)[*:1] Cc1cc(NC(=O)C[C@H](C)c2ccccc2F)c(cc1F)[*:1]
Cc1nc(N2CC[NH+](C)CC2)[nH]c(=O)c1CC#N N#CC[*:1] Cc1nc([nH]c(=O)c1[*:1])N1CC[NH+](C)CC1
O=C(C[C@H](O)c1cccc(F)c1)N[C@H]1C[C@@H]1C1CCCCC1 Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])N[C@H]1C[C@@H]1C1CCCCC1
O=C(C[C@H](O)c1cccc(F)c1)N[C@H]1C[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N[C@H]1C[C@H]1[*:1]
COc1ccc2c(c1)CCCN2C(=O)C1CC1 C1CC1[*:1] COc1ccc2c(c1)CCCN2C(=O)[*:1]
COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cn(C)nc1C COc1ccccc1[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)N[*:1])c1cn(C)nc1C
COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cn(C)nc1C Cc1nn(C)cc1[*:1] COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1[*:1]
N#Cc1ccc(COC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)COC(=O)c1nn(c2CCCc12)[*:1]
N#Cc1ccc(COC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 N#Cc1ccc(cc1)[*:1] O=C(OC[*:1])c1nn(-c2ccccc2)c2CCCc12
CN1N=C(C(=O)N2CCOC[C@@H]2C2CC2)CCC1=O C1CC1[*:1] CN1N=C(CCC1=O)C(=O)N1CCOC[C@H]1[*:1]
Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C#N)n2)cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1ccc(cc1C#N)[N+](=O)[O-])n1nc(ccc1=O)[*:1]
Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C#N)n2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)Nc1ccc(cc1C#N)[*:1]
CC[NH+](CC(=O)C(C)C)CC(=O)N(C)C CC(C)[*:1] CC[NH+](CC(=O)N(C)C)CC(=O)[*:1]
CC[NH+](CC(=O)C(C)C)CC(=O)N(C)C CN(C)C(=O)[*:1] CC[NH+](CC(=O)C(C)C)C[*:1]
CC[NH+](CC(=O)C(C)C)CC(=O)N(C)C CC(C)C(=O)[*:1] CC[NH+](CC(=O)N(C)C)C[*:1]
Cc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2-c2ccccc2)c2ccccc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] c1ccc(cc1)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)[*:1]
Cc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2-c2ccccc2)c2ccccc2)cc1 C1CC1[*:1] Cc1ccc(cc1)NC(=O)[C@H](Sc1nnc(n1-c1ccccc1)[*:1])c1ccccc1
Cc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2-c2ccccc2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1
Cc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2-c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H](Sc1nnc(C2CC2)n1[*:1])c1ccccc1
Cc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2-c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)[*:1]
Cc1ccsc1[C@H](C)N[C@H]1CCN(c2cccc[nH+]2)C1 Cc1ccsc1[*:1] C[C@H](N[C@H]1CCN(C1)c1cccc[nH+]1)[*:1]
Cc1cnn(C[C@H](C)[NH2+]C[C@@H](O)Cn2cccn2)c1 c1cnn(c1)[*:1] Cc1cnn(c1)C[C@H](C)[NH2+]C[C@@H](O)C[*:1]
Cc1cnn(C[C@H](C)[NH2+]C[C@@H](O)Cn2cccn2)c1 Cc1cnn(c1)[*:1] C[C@@H](C[*:1])[NH2+]C[C@@H](O)Cn1cccn1
Cc1cnn(C[C@H](C)[NH2+]C[C@@H](O)Cn2cccn2)c1 c1cnn(c1)C[*:1] Cc1cnn(c1)C[C@H](C)[NH2+]C[C@@H](O)[*:1]
N/C(=N\C[C@@H]1CCCO1)SCc1ccc(Cl)cc1 C1CO[C@@H](C1)C[*:1] NC(=N[*:1])SCc1ccc(Cl)cc1
N/C(=N\C[C@@H]1CCCO1)SCc1ccc(Cl)cc1 C1CO[C@@H](C1)[*:1] N/C(=N\C[*:1])SCc1ccc(Cl)cc1
O=C([O-])C1(Cc2nccs2)CC1 O=C([O-])[*:1] c1csc(CC2(CC2)[*:1])n1
Cc1ccc(Cn2nc(C)c(C[NH2+][C@H](C)c3ccc(Cl)cc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1C[NH2+][C@H](C)c1ccc(Cl)cc1
Cc1ccc(Cn2nc(C)c(C[NH2+][C@H](C)c3ccc(Cl)cc3)c2C)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1nc(C)c(C[NH2+][C@H](C)[*:1])c1C
Cc1ccc(Cn2nc(C)c(C[NH2+][C@H](C)c3ccc(Cl)cc3)c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(c(C)c1C[NH2+][C@H](C)c1ccc(Cl)cc1)[*:1]
COC(=O)c1c[n+](CCCO)cc2c(O)n(-c3cccc(C)c3)nc12 OCC[*:1] COC(=O)c1c[n+](cc2c(O)n(nc12)-c1cccc(C)c1)C[*:1]
COC(=O)c1c[n+](CCCO)cc2c(O)n(-c3cccc(C)c3)nc12 Cc1cccc(c1)[*:1] COC(=O)c1c[n+](cc2c(O)n(nc12)[*:1])CCCO
COC(=O)c1c[n+](CCCO)cc2c(O)n(-c3cccc(C)c3)nc12 COC(=O)[*:1] Cc1cccc(c1)-n1nc2c(c[n+](cc2c1O)CCCO)[*:1]
COC(=O)c1c[n+](CCCO)cc2c(O)n(-c3cccc(C)c3)nc12 OCCC[*:1] COC(=O)c1c[n+](cc2c(O)n(nc12)-c1cccc(C)c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[C@H](C)[*:1]
CCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O Cc1ccc(cc1)[*:1] CCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O CCC(C)(C)NC(=O)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(C[*:1])C1=O
CCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O CCC(C)(C)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
O=C(CSC1=NC(=O)[C@H](/C=C/c2ccccc2)N=N1)Nc1ccc(Cl)cc1 C(=C[*:1])c1ccccc1 O=C(CSC1N=N[C@@H](C(=O)N=1)[*:1])Nc1ccc(Cl)cc1
O=C(CSC1=NC(=O)[C@H](/C=C/c2ccccc2)N=N1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSC1N=N[C@@H](/C=C/c2ccccc2)C(=O)N=1)N[*:1]
O=C(CSC1=NC(=O)[C@H](/C=C/c2ccccc2)N=N1)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(CSC1N=N[C@@H](C=C[*:1])C(=O)N=1)Nc1ccc(Cl)cc1
C[C@H](NC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32)C1CCOCC1 C[C@H](C1CCOCC1)[*:1] O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N[*:1]
C[C@H](NC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H](NC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
Cc1cccc(CN(C2CC2)S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 Cc1cccc(c1)C[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N(C1CC1)[*:1]
Cc1cccc(CN(C2CC2)S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 NC(=O)[*:1] Cc1cccc(c1)CN(C1CC1)S(=O)(=O)c1cc(n(C)c1)[*:1]
Cc1cccc(CN(C2CC2)S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 Cc1cccc(c1)[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N(C[*:1])C1CC1
Cc1cccc(CN(C2CC2)S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 C1CC1[*:1] Cc1cccc(c1)CN(S(=O)(=O)c1cc(C(N)=O)n(C)c1)[*:1]
Cc1c(C(=O)N2CCOC[C@H]2CC(C)C)cnn1-c1ccncc1 CC(C)C[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CCOC[C@@H]1[*:1]
Cc1c(C(=O)N2CCOC[C@H]2CC(C)C)cnn1-c1ccncc1 CC(C)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CCOC[C@H]1C[*:1]
Cc1c(C(=O)N2CCOC[C@H]2CC(C)C)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCOC[C@H]1CC(C)C
Cc1cc(C(=O)[C@@H](C)Cl)c(C)n1C[C@]1(C)CCCO1 C[C@@H](Cl)C(=O)[*:1] Cc1cc(c(C)n1C[C@]1(C)CCCO1)[*:1]
Cc1cc(C(=O)[C@@H](C)Cl)c(C)n1C[C@]1(C)CCCO1 C[C@@H](Cl)[*:1] Cc1cc(C(=O)[*:1])c(C)n1C[C@]1(C)CCCO1
C[NH+]1CCN(c2ccc(CNC(=O)NCC(=O)N3CCCC3)cn2)CC1 O=C(N1CCCC1)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)NC[*:1]
C[NH+]1CCN(c2ccc(CNC(=O)NCC(=O)N3CCCC3)cn2)CC1 O=C(C[*:1])N1CCCC1 C[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)N[*:1]
CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ncccn2)cc1OCC CCCO[*:1] CCOc1cc(ccc1[*:1])[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1c1ncccn1
CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ncccn2)cc1OCC CCC[*:1] CCOc1cc(ccc1O[*:1])[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1c1ncccn1
CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ncccn2)cc1OCC CCO[*:1] CCCOc1ccc(cc1[*:1])[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1c1ncccn1
CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ncccn2)cc1OCC c1cnc(nc1)[*:1] CCCOc1ccc(cc1OCC)[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccccc1F Cn1cc(cn1)[*:1] C[C@H](N[C@@H](CO)[*:1])c1ccccc1F
C[C@@H]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)[C@H]2CCCC[C@@H]21 FC(F)(F)[*:1] C[C@@H]1CCN(c2ccc3nnc(n3n2)[*:1])[C@H]2CCCC[C@@H]21
Fc1cc(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC(F)F FC(F)O[*:1] Fc1cc(ccc1[*:1])CN1CC[C@H](C1)Oc1cc[nH+]cc1
Fc1cc(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC(F)F FC(F)[*:1] Fc1cc(ccc1O[*:1])CN1CC[C@H](C1)Oc1cc[nH+]cc1
CCc1ccc(OCc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)cc1 CC1CCN(CC1)C(=O)[*:1] CCc1ccc(cc1)OCc1nc2ccccc2n1C[*:1]
CCc1ccc(OCc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)cc1 CCc1ccc(cc1)O[*:1] CC1CCN(CC1)C(=O)Cn1c(C[*:1])nc2ccccc21
CCc1ccc(OCc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)cc1 CCc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)Cn1c(CO[*:1])nc2ccccc21
C[C@H](Sc1nncn1C)C(=O)/C(C#N)=C1\Nc2ccccc2S1 Cn1cnnc1[*:1] C[C@H](S[*:1])C(=O)/C(C#N)=C1\Nc2ccccc2S1
C[C@H](Sc1nncn1C)C(=O)/C(C#N)=C1\Nc2ccccc2S1 Cn1cnnc1S[*:1] C[C@H](C(=O)/C(C#N)=C1\Nc2ccccc2S1)[*:1]
CNC(=O)CCc1ccc(C(C)C)cc1 CNC(=O)[*:1] CC(C)c1ccc(cc1)CC[*:1]
CNC(=O)CCc1ccc(C(C)C)cc1 CC(C)[*:1] CNC(=O)CCc1ccc(cc1)[*:1]
CNC(=O)CCc1ccc(C(C)C)cc1 CNC(=O)C[*:1] CC(C)c1ccc(cc1)C[*:1]
O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1 c1ccc(cc1)[*:1] O=S(=O)(Nc1ccccc1C[*:1])c1ccc(F)c(F)c1
O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1 c1ccc(cc1)C[*:1] O=S(=O)(Nc1ccccc1[*:1])c1ccc(F)c(F)c1
O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=S(=O)(Nc1ccccc1Cc1ccccc1)[*:1]
O=C(c1ccccc1)N1CCO[C@H](CC2CCCCC2)C1 C1CCC(CC1)[*:1] O=C(c1ccccc1)N1CCO[C@@H](C1)C[*:1]
O=C(c1ccccc1)N1CCO[C@H](CC2CCCCC2)C1 C1CCC(CC1)C[*:1] O=C(c1ccccc1)N1CCO[C@H](C1)[*:1]
O=C(c1ccccc1)N1CCO[C@H](CC2CCCCC2)C1 c1ccc(cc1)[*:1] O=C(N1CCO[C@H](CC2CCCCC2)C1)[*:1]
CC(C)n1cc([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cn1 CC(C)[*:1] C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1cnn(c1)[*:1]
CC(C)n1cc([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cn1 CC(C)n1cc(cn1)[*:1] C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)[*:1]
CCCC[C@H]1NC(=O)N(CCOc2ccc(C#N)cc2)C1=O CCCC[*:1] N#Cc1ccc(cc1)OCCN1C(=O)N[C@@H](C1=O)[*:1]
CCCC[C@H]1NC(=O)N(CCOc2ccc(C#N)cc2)C1=O CCC[*:1] N#Cc1ccc(cc1)OCCN1C(=O)N[C@H](C[*:1])C1=O
Cc1ncsc1CCOc1ccc(N)c(OC(C)(C)C)n1 Cc1ncsc1C[*:1] CC(C)(C)Oc1nc(ccc1N)OC[*:1]
Cc1ncsc1CCOc1ccc(N)c(OC(C)(C)C)n1 Cc1ncsc1[*:1] CC(C)(C)Oc1nc(ccc1N)OCC[*:1]
Cc1ncsc1CCOc1ccc(N)c(OC(C)(C)C)n1 CC(C)(C)O[*:1] Cc1ncsc1CCOc1ccc(N)c(n1)[*:1]
Cc1ncsc1CCOc1ccc(N)c(OC(C)(C)C)n1 CC(C)(C)[*:1] Cc1ncsc1CCOc1ccc(N)c(n1)O[*:1]
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] N#CC1=C(N)OC2CCCC(=O)C=2[C@H]1c1cc(ccc1Cl)[*:1]
Cc1cccc(N2CCC(N3CCC[C@@H](CCC(=O)N4CCOCC4)C3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CC[C@@H]1CCCN(C1)C1CCN(CC1)[*:1])N1CCOCC1
Cc1cccc(N2CCC(N3CCC[C@@H](CCC(=O)N4CCOCC4)C3)CC2)c1 O=C(N1CCOCC1)[*:1] Cc1cccc(c1)N1CCC(CC1)N1CCC[C@@H](CC[*:1])C1
Cc1cccc(N2CCC(N3CCC[C@@H](CCC(=O)N4CCOCC4)C3)CC2)c1 O=C(C[*:1])N1CCOCC1 Cc1cccc(c1)N1CCC(CC1)N1CCC[C@H](C1)C[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] Cc1ccc(c(C)c1NC(=O)NC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1ccc(c(C)c1NC(=O)NCC(=O)N[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(=O)NC(C)(C)C O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)NCC(=O)NC(C)(C)C)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1cccc(OC)c1 COc1cccc(c1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N(C)C[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)Nc1ccc(C#N)cc1[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 CS(=O)(=O)[*:1] N#Cc1ccc(N[C@@H]2CCC[C@@H](C2)[*:1])c(c1)[N+](=O)[O-]
CCC[C@H]1C[C@H]1[NH2+][C@@H]1CSCc2ccccc21 CCC[*:1] c1ccc2c(c1)CSC[C@H]2[NH2+][C@@H]1C[C@@H]1[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)c3cccc4cn[nH]c34)cc12 NC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])c1cccc2cn[nH]c12
Cc1cc(C(F)(F)F)nc2nc(NC(=O)c3ccco3)ccc12 c1coc(c1)[*:1] Cc1cc(nc2nc(ccc12)NC(=O)[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)nc2nc(NC(=O)c3ccco3)ccc12 FC(F)(F)[*:1] Cc1cc(nc2nc(ccc12)NC(=O)c1ccco1)[*:1]
CC(=O)N1CCN(C(=O)[C@H](C)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H](C)C[*:1]
CCc1ccccc1NC(=O)c1cc(=O)oc2cc(OC)ccc12 CCc1ccccc1[*:1] COc1ccc2c(cc(=O)oc2c1)C(=O)N[*:1]
COc1ccc(C2=NO[C@@H]3[C@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(Cc4cccnc4)C(=O)[C@@H]23)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)C1=NO[C@@H]2[C@H]1[C@@H]1C[C@H]2[C@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
COc1ccc(C2=NO[C@@H]3[C@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(Cc4cccnc4)C(=O)[C@@H]23)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)C1=NO[C@@H]2[C@H]1[C@@H]1C[C@H]2[C@H]2C(=O)N(C[*:1])C(=O)[C@@H]12
COc1ccc(C2=NO[C@@H]3[C@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(Cc4cccnc4)C(=O)[C@@H]23)cc1 COc1ccc(cc1)[*:1] O=C1[C@H]2[C@H]3C[C@H]([C@@H]4ON=C([C@H]34)[*:1])[C@H]2C(=O)N1Cc1cccnc1
Cc1noc([C@H](OC(=O)C[C@H](C)c2cccc(F)c2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@H](OC(=O)C[C@H](C)c1cccc(F)c1)[*:1]
Cc1noc([C@H](OC(=O)C[C@H](C)c2cccc(F)c2)c2ccccc2)n1 Cc1noc(n1)[*:1] C[C@@H](CC(=O)O[C@H](c1ccccc1)[*:1])c1cccc(F)c1
Cc1noc([C@H](OC(=O)C[C@H](C)c2cccc(F)c2)c2ccccc2)n1 Fc1cccc(c1)[*:1] Cc1noc(n1)[C@H](OC(=O)C[C@H](C)[*:1])c1ccccc1
C=CCn1c(SCc2nnc(C3CC3)o2)nc2cc(Cl)ccc2c1=O C=CC[*:1] O=c1c2ccc(Cl)cc2nc(SCc2nnc(o2)C2CC2)n1[*:1]
C=CCn1c(SCc2nnc(C3CC3)o2)nc2cc(Cl)ccc2c1=O C1CC1[*:1] C=CCn1c(nc2cc(Cl)ccc2c1=O)SCc1nnc(o1)[*:1]
C=CCn1c(SCc2nnc(C3CC3)o2)nc2cc(Cl)ccc2c1=O C1CC1c1nnc(o1)[*:1] C=CCn1c(nc2cc(Cl)ccc2c1=O)SC[*:1]
O=C(NCCCN1CCOCC1)c1cccc(Cl)c1Cl C1CN(CCO1)[*:1] O=C(NCCC[*:1])c1cccc(Cl)c1Cl
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N/N=C/c1cccc2ccccc12)C(=O)N[*:1]
CCn1c([C@H](C)[NH2+][C@@H]2CCCn3nc(COC)nc32)nc2ccccc21 COC[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+][C@@H]1CCCn2nc(nc21)[*:1]
Cc1ccc(C(=O)NCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1 Cc1ccc(cc1)C(=O)N[*:1] CC(C)N(C(=O)Cn1c(C[*:1])nc2ccccc21)c1ccccc1
Cc1ccc(C(=O)NCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1 Cc1ccc(cc1)C(=O)NC[*:1] CC(C)N(C(=O)Cn1c(nc2ccccc21)[*:1])c1ccccc1
Cc1ccc(C(=O)NCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)N(C(=O)Cn1c(CNC(=O)[*:1])nc2ccccc21)c1ccccc1
Cc1ccc(C(=O)NCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)NCc1nc2ccccc2n1CC(=O)N(c1ccccc1)[*:1]
Cc1ccc(C(=O)NCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NCc1nc2ccccc2n1CC(=O)N(C(C)C)[*:1]
OC[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccco1 c1cncc(c1)[*:1] OC[C@@H](NCc1cnc(s1)[*:1])c1ccco1
OC[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccco1 c1coc(c1)[*:1] OC[C@@H](NCc1cnc(s1)-c1cccnc1)[*:1]
COCc1nn2c(-c3cc(OC)ccc3O)ccnc2c1-c1ccccc1 COc1ccc(O)c(c1)[*:1] COCc1nn2c(ccnc2c1-c1ccccc1)[*:1]
COCc1nn2c(-c3cc(OC)ccc3O)ccnc2c1-c1ccccc1 c1ccc(cc1)[*:1] COCc1nn2c(ccnc2c1[*:1])-c1cc(ccc1O)OC
COCc1nn2c(-c3cc(OC)ccc3O)ccnc2c1-c1ccccc1 COC[*:1] COc1ccc(O)c(c1)-c1ccnc2c(-c3ccccc3)c(nn12)[*:1]
C[C@H](CNC(=O)c1c(O)cc(Cl)cc1Cl)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)c1c(O)cc(Cl)cc1Cl)[*:1]
C[C@H](CNC(=O)c1c(O)cc(Cl)cc1Cl)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)c1c(O)cc(Cl)cc1Cl)C[*:1]
C[C@@H]([NH2+]Cc1c(Cl)nc2ccccn12)[C@H]1CN(C)CCO1 CN1CCO[C@H](C1)[*:1] C[C@@H]([NH2+]Cc1c(Cl)nc2ccccn12)[*:1]
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C/SCc2ccco2)C1 c1coc(c1)[*:1] C[NH+](C)[C@@H]1CCC[C@H](C1)NC(=O)/C=C/SC[*:1]
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C/SCc2ccco2)C1 c1coc(c1)CS[*:1] C[NH+](C)[C@@H]1CCC[C@H](C1)NC(=O)C=C[*:1]
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C/SCc2ccco2)C1 c1coc(c1)C[*:1] C[NH+](C)[C@@H]1CCC[C@H](C1)NC(=O)/C=C/S[*:1]
O=C(NCc1cccc(F)c1)c1ccc2ncnc(N3CCCC3)c2c1 Fc1cccc(c1)[*:1] O=C(NC[*:1])c1ccc2ncnc(c2c1)N1CCCC1
O=C(NCc1cccc(F)c1)c1ccc2ncnc(N3CCCC3)c2c1 Fc1cccc(c1)C[*:1] O=C(N[*:1])c1ccc2ncnc(c2c1)N1CCCC1
O=C(NCc1cccc(F)c1)c1ccc2ncnc(N3CCCC3)c2c1 C1CCN(C1)[*:1] O=C(NCc1cccc(F)c1)c1ccc2ncnc(c2c1)[*:1]
O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(Cl)c1)Nc1nc(cs1)C(=O)N1CCN(CC1)[*:1]
O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1 Clc1cccc(c1)[*:1] O=C(Nc1nc(cs1)C(=O)N1CCN(CC1)Cc1ccccc1)N[*:1]
O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1 c1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)Nc1nc(cs1)C(=O)N1CCN(CC1)C[*:1]
Cc1cc(C)n(/N=C\c2ccc(N(C)C)cc2)c(=O)c1C#N CN(C)[*:1] Cc1cc(C)n(/N=C\c2ccc(cc2)[*:1])c(=O)c1C#N
COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)S(=O)(=O)Nc1c(C)cccc1[*:1]
CCCOc1ncccc1CNC(=O)Cc1cccc(F)c1F CCC[*:1] O=C(Cc1cccc(F)c1F)NCc1cccnc1O[*:1]
CCCOc1ncccc1CNC(=O)Cc1cccc(F)c1F CCCO[*:1] O=C(Cc1cccc(F)c1F)NCc1cccnc1[*:1]
CCc1nn(Cc2ccc(F)cc2)c(=O)c(C#N)c1CC Fc1ccc(cc1)[*:1] CCc1nn(C[*:1])c(=O)c(C#N)c1CC
O=C(Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ncccc23)c1)NC1CC1 c1ccc(cc1)[*:1] O=C(Cc1cccc(c1)NC(=O)c1cc(nc2ncccc12)[*:1])NC1CC1
O=C(Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ncccc23)c1)NC1CC1 O=C(NC1CC1)[*:1] O=C(Nc1cccc(c1)C[*:1])c1cc(nc2ncccc12)-c1ccccc1
O=C(Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ncccc23)c1)NC1CC1 C1CC1[*:1] O=C(Cc1cccc(c1)NC(=O)c1cc(nc2ncccc12)-c1ccccc1)N[*:1]
O=C(Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ncccc23)c1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Nc1cccc(c1)[*:1])c1cc(nc2ncccc12)-c1ccccc1
Cc1ccncc1NC(=O)NCCOc1ccccc1C Cc1ccncc1[*:1] Cc1ccccc1OCCNC(=O)N[*:1]
Cc1ccncc1NC(=O)NCCOc1ccccc1C Cc1ccccc1[*:1] Cc1ccncc1NC(=O)NCCO[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NCc3ccccc3F)CC2)C1 Fc1ccccc1C[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CCN(CC1)CC(=O)N[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NCc3ccccc3F)CC2)C1 Fc1ccccc1[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CCN(CC1)CC(=O)NC[*:1]
Cc1noc([C@H](NC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)C(C)C)n1 Cc1noc(n1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[C@H](C(C)C)[*:1]
Cc1noc([C@H](NC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)C(C)C)n1 CS(=O)(=O)[*:1] Cc1noc(n1)[C@H](NC(=O)Nc1ccc(C)c(c1)[*:1])C(C)C
Cc1noc([C@H](NC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)C(C)C)n1 CC(C)[*:1] Cc1noc(n1)[C@H](NC(=O)Nc1ccc(C)c(c1)S(C)(=O)=O)[*:1]
C#CC[C@H](C)OC(=O)Cc1nc2nc(C)cc(C)n2n1 C#CC[*:1] Cc1cc(C)n2nc(CC(=O)O[C@@H](C)[*:1])nc2n1
O=C(COc1ccccc1)N1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(COc1ccccc1)N1CCC[C@H](C1)[*:1]
O=C(COc1ccccc1)N1CCC[C@H](C(F)(F)F)C1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC[C@@H](C1)C(F)(F)F
Cc1nc(C)n(-c2ccccc2NC(=O)N[C@@H](CO)c2ccco2)n1 c1coc(c1)[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N[C@@H](CO)[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N[C@@H](CO)c2ccco2)n1 Cc1nc(C)n(n1)[*:1] O=C(Nc1ccccc1[*:1])N[C@@H](CO)c1ccco1
CC(=O)Nc1ccc(C)c(NC(=O)NCc2cccc(OCC(C)C)c2)c1 CC(C)C[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)NCc1cccc(c1)O[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)NCc2cccc(OCC(C)C)c2)c1 CC(C)[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)NCc1cccc(c1)OC[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)NCc2cccc(OCC(C)C)c2)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)NCc1cccc(c1)OCC(C)C)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)NCc2cccc(OCC(C)C)c2)c1 CC(C)CO[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)NCc1cccc(c1)[*:1]
O=C(NNc1cccnc1Cl)c1cccn1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(NNc1cccnc1Cl)c1cccn1C[*:1]
O=C(NNc1cccnc1Cl)c1cccn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(NNc1cccnc1Cl)c1cccn1[*:1]
O=C(NNc1cccnc1Cl)c1cccn1Cc1ccccc1 Clc1ncccc1[*:1] O=C(NN[*:1])c1cccn1Cc1ccccc1
C=C(C)COc1ccccc1C(=O)Nc1cccc(F)c1 C=C(C)C[*:1] O=C(Nc1cccc(F)c1)c1ccccc1O[*:1]
C=C(C)COc1ccccc1C(=O)Nc1cccc(F)c1 C=C(C)[*:1] O=C(Nc1cccc(F)c1)c1ccccc1OC[*:1]
C=C(C)COc1ccccc1C(=O)Nc1cccc(F)c1 C=C(C)CO[*:1] O=C(Nc1cccc(F)c1)c1ccccc1[*:1]
C=C(C)COc1ccccc1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] C=C(C)COc1ccccc1C(=O)N[*:1]
[NH3+]Cc1ccc(C(F)(F)F)nc1N1CCO[C@@H]2CCC[C@@H]21 FC(F)(F)[*:1] [NH3+]Cc1ccc(nc1N1CCO[C@@H]2CCC[C@@H]21)[*:1]
Cc1ccc(NC(=O)CCCS(=O)(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CCCS(=O)(=O)c1ccccc1)N[*:1]
Cc1ccc(NC(=O)CCCS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CCCS(=O)(=O)[*:1]
O=C([C@@H]1N=CO[C@H]1C1CC1)N(CCc1c[nH]c2ccccc12)Cc1cccnc1 c1ccc2c(c[nH]c2c1)[*:1] O=C([C@@H]1N=CO[C@H]1C1CC1)N(CC[*:1])Cc1cccnc1
O=C([C@@H]1N=CO[C@H]1C1CC1)N(CCc1c[nH]c2ccccc12)Cc1cccnc1 C1CC1[*:1] O=C([C@@H]1N=CO[C@@H]1[*:1])N(CCc1c[nH]c2ccccc12)Cc1cccnc1
O=C([C@@H]1N=CO[C@H]1C1CC1)N(CCc1c[nH]c2ccccc12)Cc1cccnc1 c1cncc(c1)C[*:1] O=C([C@@H]1N=CO[C@H]1C1CC1)N(CCc1c[nH]c2ccccc12)[*:1]
O=C([C@@H]1N=CO[C@H]1C1CC1)N(CCc1c[nH]c2ccccc12)Cc1cccnc1 c1cncc(c1)[*:1] O=C([C@@H]1N=CO[C@H]1C1CC1)N(CCc1c[nH]c2ccccc12)C[*:1]
O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OC(F)(F)O2 Fc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])Nc1ccc2OC(F)(F)Oc2c1
O=S(=O)([N-]c1ccc(-c2ccc3nncn3n2)cc1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=S(=O)([N-]c1ccc(cc1)-c1ccc2nncn2n1)[*:1]
O=S(=O)([N-]c1ccc(-c2ccc3nncn3n2)cc1)c1cc(F)ccc1F c1cc2nncn2nc1[*:1] O=S(=O)([N-]c1ccc(cc1)[*:1])c1cc(F)ccc1F
C[C@@H](NS(=O)(=O)NCc1ccccc1)c1nnc(N)s1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)NC[*:1])c1nnc(N)s1
C[C@@H](NS(=O)(=O)NCc1ccccc1)c1nnc(N)s1 Nc1nnc(s1)[*:1] C[C@@H](NS(=O)(=O)NCc1ccccc1)[*:1]
CC[C@@H](C)CN(C)C(=O)Cn1c(-c2scnc2C)nc2ccccc21 Cc1ncsc1[*:1] CC[C@@H](C)CN(C)C(=O)Cn1c(nc2ccccc21)[*:1]
CCc1ccc(C)[n+](CC(=O)NCCc2ccccc2C)c1 Cc1ccccc1[*:1] CCc1ccc(C)[n+](c1)CC(=O)NCC[*:1]
O=[N+]([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] O=[N+]([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)[*:1]
O=[N+]([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1F O=[N+]([O-])[*:1] O=S(=O)([N-]c1cc(Cl)ccc1[*:1])c1ccccc1F
COC[C@@](C)(NC(=O)CCn1nc2ccccn2c1=O)c1ccccc1 COC[*:1] C[C@@](NC(=O)CCn1nc2ccccn2c1=O)(c1ccccc1)[*:1]
COC[C@@](C)(NC(=O)CCn1nc2ccccn2c1=O)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@](C)(NC(=O)CCn1nc2ccccn2c1=O)[*:1]
CSCC[C@@H](NC(=O)[C@H](C)n1cccn1)c1nnc2ccccn12 CSCC[*:1] C[C@@H](C(=O)N[C@@H](c1nnc2ccccn12)[*:1])n1cccn1
CSCC[C@@H](NC(=O)[C@H](C)n1cccn1)c1nnc2ccccn12 C[C@H](n1cccn1)[*:1] CSCC[C@@H](NC(=O)[*:1])c1nnc2ccccn12
CSCC[C@@H](NC(=O)[C@H](C)n1cccn1)c1nnc2ccccn12 c1cnn(c1)[*:1] CSCC[C@@H](NC(=O)[C@H](C)[*:1])c1nnc2ccccn12
CSCC[C@@H](NC(=O)[C@H](C)n1cccn1)c1nnc2ccccn12 CSC[*:1] C[C@@H](C(=O)N[C@H](C[*:1])c1nnc2ccccn12)n1cccn1
COCc1c(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)oc2ccccc12 COC[*:1] O=C(c1oc2ccccc2c1[*:1])N1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1
Cc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1c(NC(=O)COc2cccc(c2)-c2nc(no2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3)n2)cc1 Cc1ccc(cc1)-c1noc(n1)[*:1] Cc1c(NC(=O)COc2cccc(c2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(n1)-c1cccc(c1)OCC(=O)Nc1c(C)n(C)n(c1=O)[*:1]
C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 NC(=O)[*:1] C[C@H](C(=O)N1CCC(CC1)[*:1])N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2
O=C(NCC(=O)N1CCC(Cn2cnc3ccccc32)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(C[*:1])N1CCC(CC1)Cn1cnc2ccccc21
O=C(NCC(=O)N1CCC(Cn2cnc3ccccc32)CC1)c1ccccc1 c1ccc2c(c1)ncn2[*:1] O=C(NCC(=O)N1CCC(CC1)C[*:1])c1ccccc1
O=C(NCC(=O)N1CCC(Cn2cnc3ccccc32)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N1CCC(CC1)Cn1cnc2ccccc21
CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S@@](=O)C2)c1ccccc1 COc1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1c2C[S@](=O)Cc2nn1[*:1])c1ccccc1
CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S@@](=O)C2)c1ccccc1 CC[C@@H](c1ccccc1)[*:1] COc1ccc(cc1)-n1nc2C[S@@](=O)Cc2c1NC(=O)[*:1]
CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S@@](=O)C2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1c2C[S@](=O)Cc2nn1-c1ccc(cc1)OC)[*:1]
CC[NH2+][C@H](c1ccsc1)[C@H]1CCO[C@]2(CCSC2)C1 c1cc(cs1)[*:1] CC[NH2+][C@H]([C@H]1CCO[C@]2(CCSC2)C1)[*:1]
Cc1n[nH]c(C(=O)N(C)CC(=O)[O-])n1 O=C([O-])[*:1] Cc1n[nH]c(n1)C(=O)N(C)C[*:1]
Cc1n[nH]c(C(=O)N(C)CC(=O)[O-])n1 O=C([O-])C[*:1] Cc1n[nH]c(n1)C(=O)N(C)[*:1]
CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)[O-])CO2)C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CC2(C[C@@H](CO2)[*:1])C1
CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)[O-])CO2)C1 CC(C)(C)[*:1] O=C([O-])[C@H]1COC2(C1)CN(C2)C(=O)O[*:1]
CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](NC(C)=O)C1 CC(=O)N[*:1] CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](C1)[*:1]
C[C@@H]1SCCN(Cc2ncn(-c3ccccc3)n2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1SCCN(Cc2ncn(n2)[*:1])[C@H]1c1ccccc1
C[C@@H]1SCCN(Cc2ncn(-c3ccccc3)n2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1SCCN(Cc2ncn(n2)-c2ccccc2)[C@@H]1[*:1]
CC(C)(NS(=O)(=O)c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 Fc1cc(F)cc(c1)[*:1] CC(C)(NS(=O)(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)(NS(=O)(=O)c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(NS(=O)(=O)c1cc(F)cc(F)c1)c1ccc(cc1)[*:1]
CC[NH2+][C@H](c1ccccn1)[C@@H]1CCOC2(CCCC2)C1 c1ccc(nc1)[*:1] CC[NH2+][C@H]([C@@H]1CCOC2(CCCC2)C1)[*:1]
Cc1nc(-c2cccc(-c3noc(C(=O)NCc4cccs4)n3)c2)cs1 c1csc(c1)[*:1] Cc1nc(cs1)-c1cccc(c1)-c1noc(n1)C(=O)NC[*:1]
Cc1nc(-c2cccc(-c3noc(C(=O)NCc4cccs4)n3)c2)cs1 Cc1nc(cs1)[*:1] O=C(NCc1cccs1)c1nc(no1)-c1cccc(c1)[*:1]
Cc1nc(-c2cccc(-c3noc(C(=O)NCc4cccs4)n3)c2)cs1 c1csc(c1)C[*:1] Cc1nc(cs1)-c1cccc(c1)-c1noc(n1)C(=O)N[*:1]
Cc1cccc(-n2ncc3c(Nc4c(C)n(C)n(-c5ccccc5)c4=O)ncnc32)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-n1ncc2c(ncnc21)Nc1c(C)n(C)n(c1=O)[*:1]
Cc1cccc(-n2ncc3c(Nc4c(C)n(C)n(-c5ccccc5)c4=O)ncnc32)c1 Cc1cccc(c1)[*:1] Cc1c(Nc2ncnc3c2cnn3[*:1])c(=O)n(-c2ccccc2)n1C
COC(=O)c1cccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c1 COc1ccccc1[*:1] COC(=O)c1cccc(c1)C(=O)N1CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
COC(=O)c1cccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c1 COC(=O)c1cccc(c1)[*:1] COc1ccccc1N1CC[NH+](CC1)[C@@H]1CCCN(C1)C(=O)[*:1]
COC(=O)c1cccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c1 COC(=O)[*:1] COc1ccccc1N1CC[NH+](CC1)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
COc1ccc(COC[C@@H](O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C1CC2(CCCCC2)C(=O)N1C[C@H](O)COC[*:1]
CC(C)[C@@H]1C[C@@](c2ccccc2)([C@@H](C[NH3+])CO)CCO1 CC(C)[*:1] [NH3+]C[C@@H](CO)[C@]1(CCO[C@@H](C1)[*:1])c1ccccc1
CC(C)[C@@H]1C[C@@](c2ccccc2)([C@@H](C[NH3+])CO)CCO1 c1ccc(cc1)[*:1] CC(C)[C@@H]1C[C@](CCO1)([C@@H](C[NH3+])CO)[*:1]
COC(=O)/C(C(C)=O)=C(\C=C\C=C\[NH+](C)C)N(C)C COC(=O)[*:1] CC(=O)C(=C(/C=C/C=C/[NH+](C)C)N(C)C)[*:1]
COC(=O)/C(C(C)=O)=C(\C=C\C=C\[NH+](C)C)N(C)C CN(C)[*:1] COC(=O)C(C(C)=O)=C(/C=C/C=C/[NH+](C)C)[*:1]
COC(=O)/C(C(C)=O)=C(\C=C\C=C\[NH+](C)C)N(C)C CC(=O)[*:1] COC(=O)/C(=C(\C=C\C=C\[NH+](C)C)N(C)C)[*:1]
Cc1noc(C)c1CC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] Cc1noc(C)c1CC(=O)N1CCOC[C@@H]1[*:1]
C[C@H]1C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H]1C[C@H]1C(=O)NCc1cccc(c1)[*:1]
CC/[NH+]=C(/NC[C@@H]1CCO[C@H]1C(C)(C)C)N1CCN(c2ncccn2)CC1 CC(C)(C)[*:1] CC/[NH+]=C(/NC[C@@H]1CCO[C@@H]1[*:1])N1CCN(CC1)c1ncccn1
CC/[NH+]=C(/NC[C@@H]1CCO[C@H]1C(C)(C)C)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CC/[NH+]=C(/NC[C@@H]1CCO[C@H]1C(C)(C)C)N1CCN(CC1)[*:1]
CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 CCN[*:1] Cn1c(=O)c2c(nc(n2Cc2ccc(F)cc2)[*:1])n(C)c1=O
CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
Cc1cc(=O)[nH]c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)n1 Fc1ccc(cc1)C[*:1] Cc1cc(=O)[nH]c(n1)SCC(=O)Nc1ncc(s1)[*:1]
Cc1cc(=O)[nH]c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)n1 Cc1cc(=O)[nH]c(n1)[*:1] O=C(CS[*:1])Nc1ncc(Cc2ccc(F)cc2)s1
Cc1cc(=O)[nH]c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)n1 Fc1ccc(cc1)[*:1] Cc1cc(=O)[nH]c(n1)SCC(=O)Nc1ncc(C[*:1])s1
Cc1nc(-c2ccc(CNC(=O)c3ccccc3SC(F)F)s2)cs1 FC(F)[*:1] Cc1nc(cs1)-c1ccc(CNC(=O)c2ccccc2S[*:1])s1
Cc1nc(-c2ccc(CNC(=O)c3ccccc3SC(F)F)s2)cs1 Cc1nc(cs1)[*:1] O=C(NCc1ccc(s1)[*:1])c1ccccc1SC(F)F
Cc1nc(-c2ccc(CNC(=O)c3ccccc3SC(F)F)s2)cs1 FC(F)S[*:1] Cc1nc(cs1)-c1ccc(CNC(=O)c2ccccc2[*:1])s1
CC[C@@H](NC(=O)Nc1ccc(C)s1)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CC[C@@H](NC(=O)Nc1ccc(C)s1)c1cccc(c1)[*:1]
CC[C@@H](NC(=O)Nc1ccc(C)s1)c1cccc(S(N)(=O)=O)c1 Cc1ccc(s1)[*:1] CC[C@@H](NC(=O)N[*:1])c1cccc(c1)S(N)(=O)=O
CN(Cc1ncnn1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] Cn1ncnc1C[*:1] CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
CN(Cc1ncnn1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] Cn1ncnc1[*:1] CN(C[*:1])S(=O)(=O)c1ccccc1[N+](=O)[O-]
CN(Cc1ncnn1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(Cc1ncnn1C)S(=O)(=O)c1ccccc1[*:1]
N#Cc1ccc(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 N#Cc1ccc(cc1)[*:1] O=C(CO[*:1])NCC(=O)Nc1ccc(F)c(F)c1F
CCCOc1nc(Oc2cccc(Cl)c2Cl)ccc1N CCCO[*:1] Nc1ccc(nc1[*:1])Oc1cccc(Cl)c1Cl
CCCOc1nc(Oc2cccc(Cl)c2Cl)ccc1N CCC[*:1] Nc1ccc(nc1O[*:1])Oc1cccc(Cl)c1Cl
O=C(NCC(C1CC1)C1CC1)c1cc(Cl)ccc1-n1cnnn1 C1CC1[*:1] O=C(NCC(C1CC1)[*:1])c1cc(Cl)ccc1-n1cnnn1
O=C(NCC(C1CC1)C1CC1)c1cc(Cl)ccc1-n1cnnn1 c1nnnn1[*:1] O=C(NCC(C1CC1)C1CC1)c1cc(Cl)ccc1[*:1]
O=C(NCC(C1CC1)C1CC1)c1cc(Cl)ccc1-n1cnnn1 C1CC1C(C1CC1)[*:1] O=C(NC[*:1])c1cc(Cl)ccc1-n1cnnn1
COc1ncnc2c1nc([C@H](C)Cl)n2CC(C)(C)C C[C@H](Cl)[*:1] COc1ncnc2c1nc(n2CC(C)(C)C)[*:1]
COc1ncnc2c1nc([C@H](C)Cl)n2CC(C)(C)C CC(C)(C)[*:1] COc1ncnc2c1nc([C@H](C)Cl)n2C[*:1]
COc1ncnc2c1nc([C@H](C)Cl)n2CC(C)(C)C CC(C)(C)C[*:1] COc1ncnc2c1nc([C@H](C)Cl)n2[*:1]
Cc1nc(Nc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2[N+](=O)[O-])sc1C Cc1nc(sc1C)[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)c1cccc(Cl)c1)N[*:1]
Cc1nc(Nc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2[N+](=O)[O-])sc1C Clc1cccc(c1)[*:1] Cc1nc(Nc2ncnc(c2[N+](=O)[O-])N2CCN(CC2)[*:1])sc1C
Cc1nc(Nc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2[N+](=O)[O-])sc1C Cc1nc(N[*:1])sc1C O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1cccc(Cl)c1
Cc1nc(Nc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2[N+](=O)[O-])sc1C O=[N+]([O-])[*:1] Cc1nc(Nc2ncnc(c2[*:1])N2CCN(CC2)c2cccc(Cl)c2)sc1C
O=C(C=C1CCC1)OCc1ccnc(Cl)c1 C(=C1CCC1)[*:1] O=C(OCc1ccnc(Cl)c1)[*:1]
O=C(CCOCC(F)(F)F)Nc1nc(-c2cccc(F)c2)cs1 Fc1cccc(c1)[*:1] O=C(CCOCC(F)(F)F)Nc1nc(cs1)[*:1]
O=C(CCOCC(F)(F)F)Nc1nc(-c2cccc(F)c2)cs1 FC(F)(F)[*:1] O=C(CCOC[*:1])Nc1nc(cs1)-c1cccc(F)c1
O=C(CCOCC(F)(F)F)Nc1nc(-c2cccc(F)c2)cs1 FC(F)(F)C[*:1] O=C(CCO[*:1])Nc1nc(cs1)-c1cccc(F)c1
O=C(CCOCC(F)(F)F)Nc1nc(-c2cccc(F)c2)cs1 FC(F)(F)COC[*:1] O=C(C[*:1])Nc1nc(cs1)-c1cccc(F)c1
O=C(CCOCC(F)(F)F)Nc1nc(-c2cccc(F)c2)cs1 FC(F)(F)CO[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1cccc(F)c1
O[C@H]1CN(Cc2ccc(Cl)s2)Cc2ccccc21 Clc1ccc(s1)[*:1] O[C@H]1CN(Cc2ccccc21)C[*:1]
O=C(OCc1nncn1C1CC1)c1ccc(N2CCCCC2=O)cc1 c1nnc(n1C1CC1)[*:1] O=C(OC[*:1])c1ccc(cc1)N1CCCCC1=O
O=C(OCc1nncn1C1CC1)c1ccc(N2CCCCC2=O)cc1 O=C1CCCCN1[*:1] O=C(OCc1nncn1C1CC1)c1ccc(cc1)[*:1]
O=C(OCc1nncn1C1CC1)c1ccc(N2CCCCC2=O)cc1 C1CC1[*:1] O=C(OCc1nncn1[*:1])c1ccc(cc1)N1CCCCC1=O
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccccc2Cl)o1 CC[C@H](C)NC(=O)[*:1] O=C(c1ccc(o1)-c1ccccc1Cl)N1CSC[C@@H]1[*:1]
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccccc2Cl)o1 Clc1ccccc1[*:1] CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(o1)[*:1]
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2ccccc2Cl)o1 CC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)c1ccc(o1)-c1ccccc1Cl
CCOc1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br C1CO[C@H](C1)C[*:1] CCOc1cc(ccc1Br)S(=O)(=O)N[*:1]
CCOc1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br CCO[*:1] O=S(=O)(NC[C@H]1CCCO1)c1ccc(Br)c(c1)[*:1]
CCOc1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br C1CO[C@H](C1)[*:1] CCOc1cc(ccc1Br)S(=O)(=O)NC[*:1]
CCC(CC)[C@@H](CC)[C@H](C)O C[C@H](O)[*:1] CCC(CC)[C@@H](CC)[*:1]
CCCCCNC(=O)c1ccc2c(c1)CCO2 CCCC[*:1] O=C(NC[*:1])c1ccc2OCCc2c1
CCCCCNC(=O)c1ccc2c(c1)CCO2 CCC[*:1] O=C(NCC[*:1])c1ccc2OCCc2c1
CCCCCNC(=O)c1ccc2c(c1)CCO2 CCCCC[*:1] O=C(N[*:1])c1ccc2OCCc2c1
C[C@H]1C[C@@]2(CS1)C(=N)NC(=O)N2C1CC1 C1CC1[*:1] C[C@H]1C[C@@]2(CS1)C(=N)NC(=O)N2[*:1]
CCCN(CCC)C(=O)c1ccc(Br)nc1 CCC[*:1] CCCN(C(=O)c1ccc(Br)nc1)[*:1]
Cc1noc(-c2cccnc2NC[C@H](O)C2CCCC2)n1 C1CCC(C1)[*:1] Cc1noc(n1)-c1cccnc1NC[C@H](O)[*:1]
Cc1noc(-c2cccnc2NC[C@H](O)C2CCCC2)n1 Cc1noc(n1)[*:1] O[C@@H](CNc1ncccc1[*:1])C1CCCC1
Cc1noc(-c2cccnc2NC[C@H](O)C2CCCC2)n1 O[C@H](C1CCCC1)[*:1] Cc1noc(n1)-c1cccnc1NC[*:1]
CCCNC(=O)[C@@H]1N=NC2=C1C[C@H](C)CC2 CCC[*:1] C[C@@H]1CCC2N=N[C@@H](C(=O)N[*:1])C=2C1
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 CC(C)(C)[*:1] Cc1cc(cc(C)c1S(=O)(=O)N1CCN(CC1)C(=O)c1cn(Cc2ccccc2)nn1)[*:1]
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 c1ccc(cc1)[*:1] Cc1cc(cc(C)c1S(=O)(=O)N1CCN(CC1)C(=O)c1cn(C[*:1])nn1)C(C)(C)C
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 c1ccc(cc1)C[*:1] Cc1cc(cc(C)c1S(=O)(=O)N1CCN(CC1)C(=O)c1cn(nn1)[*:1])C(C)(C)C
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CCC#N)Cc1ccco1 N#CCC[*:1] C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(Cc1ccco1)[*:1]
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CCC#N)Cc1ccco1 c1coc(c1)[*:1] C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CCC#N)C[*:1]
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CCC#N)Cc1ccco1 c1coc(c1)C[*:1] C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CCC#N)[*:1]
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CCC#N)Cc1ccco1 Clc1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)N(CCC#N)Cc1ccco1
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CCC#N)Cc1ccco1 N#CC[*:1] C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(Cc1ccco1)C[*:1]
NC(=O)c1cccc(COC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1 NC(=O)c1cccc(c1)[*:1] O=C(OC[*:1])C1CCN(CC1)C(=O)c1ccccc1
NC(=O)c1cccc(COC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] NC(=O)c1cccc(c1)COC(=O)C1CCN(CC1)C(=O)[*:1]
NC(=O)c1cccc(COC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1 NC(=O)[*:1] O=C(OCc1cccc(c1)[*:1])C1CCN(CC1)C(=O)c1ccccc1
Cc1nc(N)sc1C(=O)N/N=C/C=C1/N(C)c2ccccc2C1(C)C Cc1nc(N)sc1[*:1] CN1/C(=C/C=N/NC(=O)[*:1])C(C)(C)c2ccccc21
O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl c1ccc(cc1)CC[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl)[*:1]
O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl Clc1ccccc1[*:1] O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl c1ccc(cc1)C[*:1] O=C(C[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl
O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl c1ccc(cc1)[*:1] O=C(CC[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl
O=C(c1cn(C2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)nn1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(c1cccc2ccccc12)N1CCC(CC1)n1cc(nn1)[*:1]
O=C(c1cn(C2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)nn1)N1CCCC1 c1ccc2c(cccc2c1)[*:1] O=C(c1cn(nn1)C1CCN(CC1)S(=O)(=O)[*:1])N1CCCC1
CCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(I)c2)cc1 CCCC(=O)N[*:1] Cc1ccc(cc1I)C(=O)Nc1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(I)c2)cc1 CCC[*:1] Cc1ccc(cc1I)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCCCOCC(=O)N[C@H](C#N)C(C)(C)C CCCC[*:1] CC(C)(C)[C@@H](C#N)NC(=O)CO[*:1]
CCCCOCC(=O)N[C@H](C#N)C(C)(C)C CCC[*:1] CC(C)(C)[C@@H](C#N)NC(=O)COC[*:1]
CCCCOCC(=O)N[C@H](C#N)C(C)(C)C CCCCO[*:1] CC(C)(C)[C@@H](C#N)NC(=O)C[*:1]
CCCCOCC(=O)N[C@H](C#N)C(C)(C)C CC(C)(C)[*:1] CCCCOCC(=O)N[C@H](C#N)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C2=NC=NC3=NC=N[C@@H]32)C1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CCCN(C1)C1=NC=NC2=NC=N[C@@H]21
C/[NH+]=C(\NCc1cccc(C)c1)NCc1ccc(C)s1 Cc1ccc(s1)[*:1] C/[NH+]=C(\NCc1cccc(C)c1)NC[*:1]
CCC1(CNC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC1 CCC1(CC1)C[*:1] Cc1cccc([nH+]1)N1CCC(CC1)NC(=O)N[*:1]
CCC1(CNC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC1 CCC1(CC1)[*:1] Cc1cccc([nH+]1)N1CCC(CC1)NC(=O)NC[*:1]
CCC[C@@H](CC)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCC[C@@H](CC)[NH2+][C@H]1CCC[C@H](C1)[*:1]
CCC[C@@H](CC)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 CCC[*:1] CC[C@@H]([NH2+][C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
Cc1cc(C)n(CC(=O)N2CCC(n3c(C4CCC4)nc4cc(F)ccc43)CC2)n1 C1CC(C1)[*:1] Cc1cc(C)n(CC(=O)N2CCC(CC2)n2c(nc3cc(F)ccc32)[*:1])n1
Cc1cc(C)n(CC(=O)N2CCC(n3c(C4CCC4)nc4cc(F)ccc43)CC2)n1 Cc1cc(C)n(n1)[*:1] O=C(C[*:1])N1CCC(CC1)n1c(nc2cc(F)ccc21)C1CCC1
Cc1cc(C)n(CC(=O)N2CCC(n3c(C4CCC4)nc4cc(F)ccc43)CC2)n1 Cc1cc(C)n(C[*:1])n1 O=C(N1CCC(CC1)n1c(nc2cc(F)ccc21)C1CCC1)[*:1]
CC(C)(C)NC(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 CC(C)(C)[*:1] O=C(N[*:1])N1CC[C@@]2(C1)C(=O)Nc1ccccc12
CN(C)C(=O)CN(Cc1ccoc1)CC(F)(F)F FC(F)(F)[*:1] CN(C)C(=O)CN(Cc1ccoc1)C[*:1]
CN(C)C(=O)CN(Cc1ccoc1)CC(F)(F)F CN(C)C(=O)C[*:1] FC(F)(F)CN(Cc1ccoc1)[*:1]
CN(C)C(=O)CN(Cc1ccoc1)CC(F)(F)F FC(F)(F)C[*:1] CN(C)C(=O)CN(Cc1ccoc1)[*:1]
CN(C)C(=O)CN(Cc1ccoc1)CC(F)(F)F c1cc(co1)C[*:1] CN(C)C(=O)CN(CC(F)(F)F)[*:1]
CN(C)C(=O)CN(Cc1ccoc1)CC(F)(F)F CN(C)C(=O)[*:1] FC(F)(F)CN(Cc1ccoc1)C[*:1]
CN(C)C(=O)CN(Cc1ccoc1)CC(F)(F)F c1cc(co1)[*:1] CN(C)C(=O)CN(CC(F)(F)F)C[*:1]
COc1cccc(CN2C[C@@H](C(=O)N(C)Cc3cccc4cnccc34)CCC2=O)c1 COc1cccc(c1)[*:1] CN(Cc1cccc2cnccc12)C(=O)[C@H]1CCC(=O)N(C1)C[*:1]
COc1cccc(CN2C[C@@H](C(=O)N(C)Cc3cccc4cnccc34)CCC2=O)c1 COc1cccc(c1)C[*:1] CN(Cc1cccc2cnccc12)C(=O)[C@H]1CCC(=O)N(C1)[*:1]
COc1cccc(CN2C[C@@H](C(=O)N(C)Cc3cccc4cnccc34)CCC2=O)c1 c1cc(c2ccncc2c1)[*:1] COc1cccc(c1)CN1C[C@H](CCC1=O)C(=O)N(C)C[*:1]
Cc1cc(-c2cc(=O)n(CC(=O)NC(C)C)nc2-c2cccs2)on1 CC(C)[*:1] Cc1cc(on1)-c1cc(=O)n(CC(=O)N[*:1])nc1-c1cccs1
Cc1cc(-c2cc(=O)n(CC(=O)NC(C)C)nc2-c2cccs2)on1 Cc1cc(on1)[*:1] CC(C)NC(=O)Cn1nc(-c2cccs2)c(cc1=O)[*:1]
Cc1cc(-c2cc(=O)n(CC(=O)NC(C)C)nc2-c2cccs2)on1 c1csc(c1)[*:1] Cc1cc(on1)-c1cc(=O)n(CC(=O)NC(C)C)nc1[*:1]
Cc1cc(-c2cc(=O)n(CC(=O)NC(C)C)nc2-c2cccs2)on1 CC(C)NC(=O)[*:1] Cc1cc(on1)-c1cc(=O)n(C[*:1])nc1-c1cccs1
Cc1cc(-c2cc(=O)n(CC(=O)NC(C)C)nc2-c2cccs2)on1 CC(C)NC(=O)C[*:1] Cc1cc(on1)-c1cc(=O)n(nc1-c1cccs1)[*:1]
COC(=O)c1c(F)cccc1NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 COC(=O)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)Nc1cccc(F)c1[*:1]
COCCN1CC[NH+](CC2(CS(C)(=O)=O)CCC2)CC1=O COCC[*:1] CS(=O)(=O)CC1(CCC1)C[NH+]1CCN(C(=O)C1)[*:1]
COCCN1CC[NH+](CC2(CS(C)(=O)=O)CCC2)CC1=O CS(=O)(=O)C[*:1] COCCN1CC[NH+](CC1=O)CC1(CCC1)[*:1]
COCCN1CC[NH+](CC2(CS(C)(=O)=O)CCC2)CC1=O COC[*:1] CS(=O)(=O)CC1(CCC1)C[NH+]1CCN(C[*:1])C(=O)C1
COCCN1CC[NH+](CC2(CS(C)(=O)=O)CCC2)CC1=O CS(=O)(=O)[*:1] COCCN1CC[NH+](CC1=O)CC1(CCC1)C[*:1]
CCCc1nnc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 CCC[*:1] Cc1cc(cc(C)c1S(=O)(=O)[N-]c1nnc(s1)[*:1])[N+](=O)[O-]
CCCc1nnc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 O=[N+]([O-])[*:1] CCCc1nnc([N-]S(=O)(=O)c2c(C)cc(cc2C)[*:1])s1
NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 NC(=O)C[*:1] O=C(O[*:1])c1cc(nn1-c1ccccc1)-c1ccc(Cl)cc1
NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 NC(=O)[*:1] O=C(OC[*:1])c1cc(nn1-c1ccccc1)-c1ccc(Cl)cc1
NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 Clc1ccc(cc1)[*:1] NC(=O)COC(=O)c1cc(nn1-c1ccccc1)[*:1]
NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] NC(=O)COC(=O)c1cc(nn1[*:1])-c1ccc(Cl)cc1
NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 NC(=O)COC(=O)[*:1] Clc1ccc(cc1)-c1cc(n(n1)-c1ccccc1)[*:1]
COCC[NH2+]C/C(C)=C/c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] COCC[NH2+]C/C(C)=C/c1cnn(c1)[*:1]
COCC[NH2+]C/C(C)=C/c1cnn(-c2ccccc2)c1 COC[*:1] C/C(=C\c1cnn(c1)-c1ccccc1)C[NH2+]C[*:1]
COCC[NH2+]C/C(C)=C/c1cnn(-c2ccccc2)c1 COCC[*:1] C/C(=C\c1cnn(c1)-c1ccccc1)C[NH2+][*:1]
N#CCCCC(=O)c1ccccc1I N#CCC[*:1] O=C(C[*:1])c1ccccc1I
N#CCCCC(=O)c1ccccc1I N#CC[*:1] O=C(CC[*:1])c1ccccc1I
Cc1cccc(/C=C\C(=O)OCCNC(=O)c2ccncc2)c1 Cc1cccc(c1)[*:1] O=C(C=C[*:1])OCCNC(=O)c1ccncc1
Cc1cccc(/C=C\C(=O)OCCNC(=O)c2ccncc2)c1 c1cc(ccn1)[*:1] Cc1cccc(/C=C\C(=O)OCCNC(=O)[*:1])c1
O=C(NCCc1ccc(F)cc1)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] O=C(NCCc1ccc(F)cc1)Nc1cnn(c1)[*:1]
O=C(NCCc1ccc(F)cc1)Nc1cnn(C[C@@H]2CCCO2)c1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])Nc1cnn(c1)C[C@@H]1CCCO1
O=C(NCCc1ccc(F)cc1)Nc1cnn(C[C@@H]2CCCO2)c1 Fc1ccc(cc1)C[*:1] O=C(NC[*:1])Nc1cnn(c1)C[C@@H]1CCCO1
CC(=O)N1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C)CC1 c1coc(c1)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H](C)Sc1nnc(n1C)[*:1]
CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)C2CCC2)C3)c1 CC(=O)[*:1] Cc1cc2C[C@@H](CNC(=O)C3CCC3)Oc2c(c1)-c1cc(ccc1F)[*:1]
CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)C2CCC2)C3)c1 C1CC(C1)[*:1] CC(=O)c1ccc(F)c(c1)-c1cc(C)cc2C[C@@H](CNC(=O)[*:1])Oc21
CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)C2CCC2)C3)c1 O=C(N[*:1])C1CCC1 CC(=O)c1ccc(F)c(c1)-c1cc(C)cc2C[C@@H](C[*:1])Oc21
CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)C2CCC2)C3)c1 O=C(NC[*:1])C1CCC1 CC(=O)c1ccc(F)c(c1)-c1cc(C)cc2C[C@@H](Oc21)[*:1]
CCc1nc2ccccc2n1CC(=O)NNC(=O)CCc1ccccc1 c1ccc(cc1)CC[*:1] CCc1nc2ccccc2n1CC(=O)NNC(=O)[*:1]
CCc1nc2ccccc2n1CC(=O)NNC(=O)CCc1ccccc1 c1ccc(cc1)C[*:1] CCc1nc2ccccc2n1CC(=O)NNC(=O)C[*:1]
CCc1nc2ccccc2n1CC(=O)NNC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] CCc1nc2ccccc2n1CC(=O)NNC(=O)CC[*:1]
CN(Cc1cc(O)ccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 O=[N+]([O-])[*:1] CN(Cc1cc(O)ccc1[*:1])C1CCN(CC1)S(C)(=O)=O
CC(=O)Nc1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 CC(=O)N[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1CNc1ccc(cc1)[*:1]
CCN1CCO[C@H](Cn2ccc(C(=O)C(C)C)c2)C1 CC(C)[*:1] CCN1CCO[C@@H](C1)Cn1ccc(c1)C(=O)[*:1]
CCN1CCO[C@H](Cn2ccc(C(=O)C(C)C)c2)C1 CC(C)C(=O)[*:1] CCN1CCO[C@@H](C1)Cn1ccc(c1)[*:1]
C/C(=C/C(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccccc1Cl CC(C)[*:1] C/C(=C/C(=O)[C@H](C#N)c1nc(cs1)[*:1])c1ccccc1Cl
C/C(=C/C(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccccc1Cl Clc1ccccc1[*:1] CC(=CC(=O)[C@H](C#N)c1nc(cs1)C(C)C)[*:1]
CN(C)C(=O)c1cccc(NC(=O)c2cncn2-c2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)c1cncn1[*:1]
CN(C)C(=O)c1cccc(NC(=O)c2cncn2-c2ccccc2)c1 CN(C)C(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cncn1-c1ccccc1
COc1nc(NCCCC(=O)NC2CC2)ccc1N O=C(NC1CC1)[*:1] COc1nc(ccc1N)NCCC[*:1]
COc1nc(NCCCC(=O)NC2CC2)ccc1N C1CC1[*:1] COc1nc(ccc1N)NCCCC(=O)N[*:1]
C[C@@H]1CCCC[C@@H]1OCC(=O)NCC(C1CC1)C1CC1 C1CC1[*:1] C[C@@H]1CCCC[C@@H]1OCC(=O)NCC(C1CC1)[*:1]
COc1cc(C2=Nn3c(nnc3-c3ccc(C)cc3)SC2)cc(OC)c1OC Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C1CSc2nnc(n2N=1)[*:1]
COc1cc(CNCc2cccs2)c([N+](=O)[O-])cc1OC c1csc(c1)CN[*:1] COc1cc(C[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(CNCc2cccs2)c([N+](=O)[O-])cc1OC c1csc(c1)C[*:1] COc1cc(CN[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(CNCc2cccs2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(CNCc2cccs2)c(cc1OC)[*:1]
COc1cc(CNCc2cccs2)c([N+](=O)[O-])cc1OC c1csc(c1)[*:1] COc1cc(CNC[*:1])c(cc1OC)[N+](=O)[O-]
CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(-n4cccc4)cc3)ccc21 c1ccn(c1)[*:1] CCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)c1ccc(cc1)[*:1]
C=CCn1c(SCC(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 NC(=O)NC(=O)[*:1] C=CCn1c(nnc1-c1ccc(Cl)cc1)SC[*:1]
C=CCn1c(SCC(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 C=CC[*:1] NC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1[*:1]
C=CCn1c(SCC(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)NC(N)=O
C=CCn1c(SCC(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 NC(=O)NC(=O)C[*:1] C=CCn1c(nnc1-c1ccc(Cl)cc1)S[*:1]
CCCC[NH+](C)CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 CCC[*:1] C[NH+](CC(=O)N1CCN(CC1)C(=O)C(=O)N1CCCC1)C[*:1]
CCCC[NH+](C)CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 CCCC[*:1] C[NH+](CC(=O)N1CCN(CC1)C(=O)C(=O)N1CCCC1)[*:1]
COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1cccnc1 COC(=O)[*:1] COC(=O)[C@@H]1[C@@H](c2cccnc2)[C@H](C(=O)C[C@]1(C)O)[*:1]
COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1cccnc1 c1cncc(c1)[*:1] COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1[*:1]
COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1cccnc1 COC(=O)[*:1] COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H]([C@H]1c1cccnc1)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1C CC(C)[*:1] CC1=C(C(=O)O[*:1])[C@@H](NC(=O)N1C)c1ccc2OCOc2c1
CC1=C(C(=O)OC(C)C)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1C CC(C)OC(=O)[*:1] CC1=C([C@@H](NC(=O)N1C)c1ccc2OCOc2c1)[*:1]
COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)c1F Cc1cc(F)ccc1[*:1] COc1cccc(C(=O)N[C@@H]2CCCN(C2)[*:1])c1F
COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc3S2)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)[C@H]1CC(=O)N(CC(=O)N[*:1])c2ccccc2S1
COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc3S2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CN2C(=O)C[C@@H](Sc3ccccc32)[*:1])c(C)c1
C[C@@H](O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 C[C@@H](O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1C(=O)c1ccccc1
C[C@@H](O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 O=C(c1ccccc1)[*:1] C[C@@H](O)c1cccc(c1)NC(=O)c1ccccc1[*:1]
C[C@@H](O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H](O)c1cccc(c1)NC(=O)c1ccccc1C(=O)[*:1]
C[NH+]1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)CC1 c1cc2OCOc2cc1[*:1] C[NH+]1CCN(CC1)C(=O)c1cc(nc2ccccc12)[*:1]
COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc(OC)c1OC c1coc(c1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1C[*:1]
COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc(OC)c1OC c1coc(c1)C[*:1] COc1cc(cc(OC)c1OC)[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
Cn1cc(Cl)c(C(=O)OCC(=O)Nc2ccccc2Cl)n1 Clc1ccccc1[*:1] Cn1cc(Cl)c(n1)C(=O)OCC(=O)N[*:1]
Cn1cc(Cl)c(C(=O)OCC(=O)Nc2ccccc2Cl)n1 Cn1cc(Cl)c(n1)[*:1] O=C(COC(=O)[*:1])Nc1ccccc1Cl
COc1ccc(F)cc1NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] COc1ccc(F)cc1NC(=O)c1ccnc(c1)O[*:1]
COc1ccc(F)cc1NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] COc1ccc(F)cc1NC(=O)c1ccnc(c1)[*:1]
CCOc1ccc(-c2c[nH]c(-c3c[nH]cn3)n2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])-c1c[nH]c(n1)-c1c[nH]cn1
CCOc1ccc(-c2c[nH]c(-c3c[nH]cn3)n2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])-c1c[nH]c(n1)-c1c[nH]cn1
CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccnn1C1CCCCC1 CC(C)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Nc1ccnn1C1CCCCC1
CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccnn1C1CCCCC1 C1CCC(CC1)[*:1] CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccnn1[*:1]
CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccnn1C1CCCCC1 CC(C)C[*:1] C[NH+](C)CCN(C(=O)Nc1ccnn1C1CCCCC1)[*:1]
O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCCC[C@@H]1C1OCCO1 C1COC(O1)[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCCC[C@H]1[*:1]
CCC[NH2+][C@H]1COC[C@H]1C(=O)NCc1sccc1CC CCC[*:1] CCc1ccsc1CNC(=O)[C@@H]1COC[C@@H]1[NH2+][*:1]
CCn1c(C)cc(C(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2C)c1C c1csc(c1)[*:1] CCn1c(C)cc(C(=O)CSc2nc3scc(c3c(=O)n2C)[*:1])c1C
CCn1c(C)cc(C(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2C)c1C CCn1c(C)cc(c1C)[*:1] Cn1c(nc2scc(-c3cccs3)c2c1=O)SCC(=O)[*:1]
COc1ncccc1CS(=O)(=O)[C@@H](C)CC(=O)[O-] O=C([O-])[*:1] COc1ncccc1CS(=O)(=O)[C@@H](C)C[*:1]
COc1ncccc1CS(=O)(=O)[C@@H](C)CC(=O)[O-] O=C([O-])C[*:1] COc1ncccc1CS(=O)(=O)[C@@H](C)[*:1]
COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O O=[N+]([O-])c1cccc(c1)[*:1] COC(=O)C1C(=O)/C(=C\c2ccc(o2)[*:1])N(C=1C)c1ccc(C)cc1
COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O O=[N+]([O-])[*:1] COC(=O)C1C(=O)/C(=C\c2ccc(o2)-c2cccc(c2)[*:1])N(C=1C)c1ccc(C)cc1
COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O COC(=O)[*:1] CC1=C(C(=O)/C(=C\c2ccc(o2)-c2cccc(c2)[N+](=O)[O-])N1c1ccc(C)cc1)[*:1]
COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O Cc1ccc(cc1)[*:1] COC(=O)C1C(=O)/C(=C\c2ccc(o2)-c2cccc(c2)[N+](=O)[O-])N(C=1C)[*:1]
CCOc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)c1 CCOc1cccc(c1)[*:1] N#Cc1ccc(nc1)Oc1cccc(c1)NC(=O)[*:1]
CCOc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)c1 CCO[*:1] N#Cc1ccc(nc1)Oc1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CCOc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)c1 N#Cc1ccc(nc1)[*:1] CCOc1cccc(c1)C(=O)Nc1cccc(c1)O[*:1]
CCOc1cccc(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)c1 N#Cc1ccc(nc1)O[*:1] CCOc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
Cc1nnc(-c2cc(C)n(-c3cccc(C(=O)N[C@@H](C)c4cccc5ccccc45)c3)n2)o1 c1ccc2c(cccc2c1)[*:1] Cc1nnc(o1)-c1cc(C)n(n1)-c1cccc(c1)C(=O)N[C@@H](C)[*:1]
Cc1nnc(-c2cc(C)n(-c3cccc(C(=O)N[C@@H](C)c4cccc5ccccc45)c3)n2)o1 Cc1nnc(o1)[*:1] Cc1cc(nn1-c1cccc(c1)C(=O)N[C@@H](C)c1cccc2ccccc12)[*:1]
COc1cccc(CC(=O)N(CCC#N)CCC#N)c1 N#CCC[*:1] COc1cccc(c1)CC(=O)N(CCC#N)[*:1]
COc1cccc(CC(=O)N(CCC#N)CCC#N)c1 N#CC[*:1] COc1cccc(c1)CC(=O)N(CCC#N)C[*:1]
CC(C)c1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)C[NH2+]C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)c1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 CC(C)[*:1] O=S(=O)(C1CC1)N1CCC(CC1)[NH2+]Cc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1Cl Cc1ccccc1[*:1] Cc1ccc(cc1Cl)NC(=O)N1CCC[C@@H](C1)c1nnc(s1)C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1Cl Cc1ccccc1NC(=O)[*:1] Cc1ccc(cc1Cl)NC(=O)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1ccccc1NC(=O)c1nnc(s1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)-n1ncc2c(ncnc21)[*:1]
Cc1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1 Cc1ccc(cc1)[*:1] c1nc(c2cnn(c2n1)[*:1])N1CCCC1
CCn1cnnc1CCNc1ncc(C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCn1cnnc1CCNc1ncc(C)cc1[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)NN1C(=O)N[C@](C)(C1=O)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)C2)cc1 COc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)[*:1])C1=O)c1ccccc1
N#C[C@H](OC(=O)COC[C@@H]1CCCO1)C1CC1 C1CC1[*:1] N#C[C@H](OC(=O)COC[C@@H]1CCCO1)[*:1]
N#C[C@H](OC(=O)COC[C@@H]1CCCO1)C1CC1 C1CO[C@@H](C1)[*:1] N#C[C@H](OC(=O)COC[*:1])C1CC1
C[C@@H]1C[NH2+]C[C@@H](C)N1S(=O)(=O)c1ccc(CC#N)cc1 N#CC[*:1] C[C@@H]1C[NH2+]C[C@@H](C)N1S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1nc(CN2CCO[C@@H](CC(=O)[O-])C2)cs1 CC(=O)N[*:1] O=C([O-])C[C@H]1CN(CCO1)Cc1csc(n1)[*:1]
CC(=O)Nc1nc(CN2CCO[C@@H](CC(=O)[O-])C2)cs1 O=C([O-])[*:1] CC(=O)Nc1nc(cs1)CN1CCO[C@H](C1)C[*:1]
CC(=O)Nc1nc(CN2CCO[C@@H](CC(=O)[O-])C2)cs1 O=C([O-])C[*:1] CC(=O)Nc1nc(cs1)CN1CCO[C@@H](C1)[*:1]
CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCS(=O)(=O)C1 N#CCC[*:1] CN(CC(=O)c1cn(c2ccccc12)[*:1])[C@H]1CCS(=O)(=O)C1
CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCS(=O)(=O)C1 N#CC[*:1] CN(CC(=O)c1cn(C[*:1])c2ccccc12)[C@H]1CCS(=O)(=O)C1
Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)cc1S(C)(=O)=O c1coc(c1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1[*:1]
Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H]1C[C@@H]1c1ccco1
Cc1nsc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1[*:1]
Cc1nnc(NCCNC(=O)OC(C)(C)C)c(C#N)c1C CC(C)(C)[*:1] Cc1nnc(NCCNC(=O)O[*:1])c(C#N)c1C
CCN1C[C@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1=O c1csc(c1)[*:1] CCN1C[C@@H](CC1=O)C(=O)N(C[*:1])c1ccc2OCCOc2c1
CCN1C[C@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1=O c1csc(c1)C[*:1] CCN1C[C@@H](CC1=O)C(=O)N(c1ccc2OCCOc2c1)[*:1]
CC(C)NC(=O)N1CCC(Cc2cccc(F)c2)CC1 CC(C)[*:1] O=C(N[*:1])N1CCC(CC1)Cc1cccc(F)c1
CC(C)[C@@H](C[NH3+])N(C)CCS(C)(=O)=O CC(C)[*:1] CN(CCS(C)(=O)=O)[C@H](C[NH3+])[*:1]
CC(C)[C@@H](C[NH3+])N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] CC(C)[C@@H](C[NH3+])N(C)CC[*:1]
CC(C)N(C)C(=O)[C@H](C)SCc1cccc(F)c1Cl CC(C)[*:1] C[C@H](SCc1cccc(F)c1Cl)C(=O)N(C)[*:1]
CC(C)N(CC(F)(F)F)C(=O)N(CC(=O)[O-])C(C)(C)C CC(C)(C)[*:1] CC(C)N(CC(F)(F)F)C(=O)N(CC(=O)[O-])[*:1]
CC(C)N(CC(F)(F)F)C(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])[*:1] CC(C)N(CC(F)(F)F)C(=O)N(C[*:1])C(C)(C)C
CC(C)N(CC(F)(F)F)C(=O)N(CC(=O)[O-])C(C)(C)C FC(F)(F)C[*:1] CC(C)N(C(=O)N(CC(=O)[O-])C(C)(C)C)[*:1]
CC(C)N(CC(F)(F)F)C(=O)N(CC(=O)[O-])C(C)(C)C FC(F)(F)[*:1] CC(C)N(C[*:1])C(=O)N(CC(=O)[O-])C(C)(C)C
CC(C)N(CC(F)(F)F)C(=O)N(CC(=O)[O-])C(C)(C)C CC(C)[*:1] CC(C)(C)N(CC(=O)[O-])C(=O)N(CC(F)(F)F)[*:1]
CC(C)N(CC(F)(F)F)C(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])C[*:1] CC(C)N(CC(F)(F)F)C(=O)N(C(C)(C)C)[*:1]
COc1cccc2c1C(=O)O[C@H]2S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1cccc2c1C(=O)O[C@H]2S(=O)(=O)[*:1]
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 Cc1noc(C)c1CO[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)c1cc2ccccc2cc1[*:1]
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 Cc1noc(C)c1C[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)c1cc2ccccc2cc1O[*:1]
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 Cc1noc(C)c1[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)c1cc2ccccc2cc1OC[*:1]
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[*:1]
CCc1nsc(NCCNS(=O)(=O)c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCc1nsc(n1)NCCNS(=O)(=O)[*:1]
CCc1nsc(NCCNS(=O)(=O)c2ccc(C)cc2)n1 CCc1nsc(n1)[*:1] Cc1ccc(cc1)S(=O)(=O)NCCN[*:1]
CCC(CC)(NC(=O)Nc1ccccc1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)Nc1ccccc1)[*:1]
CCC(CC)(NC(=O)Nc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CCC(CC)(NC(=O)N[*:1])C(=O)[O-]
Cc1cnc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)s1 Brc1ccc(o1)[*:1] Cc1cnc(NC(=O)Cc2ccc(cc2)NC(=O)[*:1])s1
Cc1cnc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)s1 Cc1cnc(s1)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccc(Br)o1)N[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1cc(ccc1F)C(F)(F)F)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 FC(F)(F)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)[N-]c1cc(ccc1F)[*:1]
CN(C)c1nccc(N2CCN(Cc3ccccn3)CC2)n1 c1ccc(nc1)[*:1] CN(C)c1nccc(n1)N1CCN(CC1)C[*:1]
CN(C)c1nccc(N2CCN(Cc3ccccn3)CC2)n1 c1ccc(C[*:1])nc1 CN(C)c1nccc(n1)N1CCN(CC1)[*:1]
CN(C)c1nccc(N2CCN(Cc3ccccn3)CC2)n1 CN(C)[*:1] c1ccc(CN2CCN(CC2)c2ccnc(n2)[*:1])nc1
CCC[NH+](Cc1cccn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 CCC[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](Cc1cccn1C)[*:1]
CCC[NH+](Cc1cccn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 Cn1cccc1[*:1] CCC[NH+](C[*:1])C1CCN(CC1)c1cc(C)[nH+]c(C)n1
CCC[NH+](Cc1cccn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 Cc1cc(nc(C)[nH+]1)[*:1] CCC[NH+](Cc1cccn1C)C1CCN(CC1)[*:1]
CCC[NH+](Cc1cccn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 Cn1cccc1C[*:1] CCC[NH+](C1CCN(CC1)c1cc(C)[nH+]c(C)n1)[*:1]
c1ccn2c(Cc3ccc(NCc4nc5c(s4)CCC5)cc3)nnc2c1 C1Cc2nc(sc2C1)[*:1] c1ccn2c(Cc3ccc(cc3)NC[*:1])nnc2c1
CCOC(=O)[C@@]12NC(=O)C(=O)[C@@]1(C(=O)OCC)C[C@H]2c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@@]12NC(=O)C(=O)[C@]1(C[C@@H]2[*:1])C(=O)OCC
CCOC(=O)[C@@]12NC(=O)C(=O)[C@@]1(C(=O)OCC)C[C@H]2c1ccccc1 CCOC(=O)[*:1] CCOC(=O)[C@@]12NC(=O)C(=O)[C@]1(C[C@H]2c1ccccc1)[*:1]
CCOC(=O)[C@@]12NC(=O)C(=O)[C@@]1(C(=O)OCC)C[C@H]2c1ccccc1 CCOC(=O)[*:1] CCOC(=O)[C@]12C[C@@H](c3ccccc3)[C@]1(NC(=O)C2=O)[*:1]
COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)c1 Brc1ccc(o1)[*:1] COc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)[*:1])OC
Cc1ccc(-c2n[nH]c(SCC3=NC(=O)[C@@H]4SC=CC4=N3)n2)cc1 Cc1ccc(cc1)[*:1] O=C1N=C(CSc2nc(n[nH]2)[*:1])N=C2C=CS[C@@H]12
Cc1ccc(C)c(C(=O)Cn2nnc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C(=O)Cn1nnc(n1)[*:1]
Cc1c(C(=O)N2CCCC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 O=[N+]([O-])[*:1] Cc1c(sc2nc(cn12)-c1cccc(c1)[*:1])C(=O)N1CCCC1
Cc1c(C(=O)N2CCCC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 O=C(N1CCCC1)[*:1] Cc1c(sc2nc(cn12)-c1cccc(c1)[N+](=O)[O-])[*:1]
CCc1nn(C)cc1NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O FC(F)(F)[*:1] CCc1nn(C)cc1NC(=O)Nc1cc(c[nH]c1=O)[*:1]
O=C(Cc1csc(-c2cnccn2)n1)N(CC1CC1)C1CCCCC1 c1cnc(cn1)[*:1] O=C(Cc1csc(n1)[*:1])N(CC1CC1)C1CCCCC1
O=C(Cc1csc(-c2cnccn2)n1)N(CC1CC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1csc(n1)-c1cnccn1)N(CC1CC1)[*:1]
O=C(Cc1csc(-c2cnccn2)n1)N(CC1CC1)C1CCCCC1 C1CC1C[*:1] O=C(Cc1csc(n1)-c1cnccn1)N(C1CCCCC1)[*:1]
O=C(Cc1csc(-c2cnccn2)n1)N(CC1CC1)C1CCCCC1 C1CC1[*:1] O=C(Cc1csc(n1)-c1cnccn1)N(C[*:1])C1CCCCC1
CCC[C@@H]([NH3+])c1ccn(Cc2nc(C)cs2)c1 CCC[*:1] Cc1csc(Cn2ccc(c2)[C@H]([NH3+])[*:1])n1
Cc1ccccc1[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2)[C@@H](C)CO1 Cc1ccccc1[*:1] C[C@H]1CO[C@H](CN1C(=O)NCCCCn1cc[nH+]c1)[*:1]
CCN1CC(=O)Nc2cc(C(=O)N(CCC#N)CC(C)(C)C)ccc21 N#CCC[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N(CC(C)(C)C)[*:1]
CCN1CC(=O)Nc2cc(C(=O)N(CCC#N)CC(C)(C)C)ccc21 CC(C)(C)C[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N(CCC#N)[*:1]
CCN1CC(=O)Nc2cc(C(=O)N(CCC#N)CC(C)(C)C)ccc21 N#CC[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N(CC(C)(C)C)C[*:1]
CCN1CC(=O)Nc2cc(C(=O)N(CCC#N)CC(C)(C)C)ccc21 CC(C)(C)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N(CCC#N)C[*:1]
O=C(CCSc1ccccn1)Nc1ccc(OC(F)F)c(Cl)c1 c1ccc(nc1)S[*:1] O=C(CC[*:1])Nc1ccc(OC(F)F)c(Cl)c1
O=C(CCSc1ccccn1)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] O=C(CCSc1ccccn1)Nc1ccc(c(Cl)c1)[*:1]
O=C(CCSc1ccccn1)Nc1ccc(OC(F)F)c(Cl)c1 c1ccc(nc1)[*:1] O=C(CCS[*:1])Nc1ccc(OC(F)F)c(Cl)c1
O=C(CCSc1ccccn1)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] O=C(CCSc1ccccn1)Nc1ccc(O[*:1])c(Cl)c1
CC(=O)c1ccc(NC(=O)[C@@H](C)Cc2c(C)noc2C)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@@H](C)Cc1c(C)noc1C
CC(=O)c1ccc(NC(=O)[C@@H](C)Cc2c(C)noc2C)cc1C Cc1noc(C)c1[*:1] CC(=O)c1ccc(cc1C)NC(=O)[C@@H](C)C[*:1]
CCC1(CNC(=O)NNC(=O)c2ccccc2O)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])NNC(=O)c1ccccc1O
CCC1(CNC(=O)NNC(=O)c2ccccc2O)CC1 CCC1(CC1)C[*:1] O=C(NNC(=O)c1ccccc1O)N[*:1]
CCOC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CCOC(=O)CN1CCN(CC1)c1cccc(c1)[*:1]
CCOC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 CCOC(=O)[*:1] FC(F)(F)c1cccc(c1)N1CCN(CC1)C[*:1]
CCOC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 CCOC(=O)C[*:1] FC(F)(F)c1cccc(c1)N1CCN(CC1)[*:1]
CCOc1cccc([C@H]([NH3+])CSc2ccc(C)cc2)c1 CCO[*:1] Cc1ccc(cc1)SC[C@@H]([NH3+])c1cccc(c1)[*:1]
Cc1cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)n(-c2ccccc2)n1 c1coc(c1)[*:1] Cc1cc(NC(=O)c2cc3N[C@@H](C[C@@H](n3n2)C(F)(F)F)[*:1])n(n1)-c1ccccc1
Cc1cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)n(-c2ccccc2)n1 FC(F)(F)[*:1] Cc1cc(NC(=O)c2cc3N[C@H](C[C@H](n3n2)[*:1])c2ccco2)n(n1)-c1ccccc1
Cc1cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)c2cc3N[C@H](C[C@@H](n3n2)C(F)(F)F)c2ccco2)n(n1)[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)N1CCCC1=O O=C1CCCN1[*:1] CC(C)[C@@H](C(=O)Nc1ccc(cc1)NC(=O)C[NH+](C)C)[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)N1CCCC1=O CC(C)[*:1] C[NH+](C)CC(=O)Nc1ccc(cc1)NC(=O)[C@@H](N1CCCC1=O)[*:1]
C[NH+](Cc1cc2ccccc2nc1N)CC(C)(C)O CC(C)(O)C[*:1] C[NH+](Cc1cc2ccccc2nc1N)[*:1]
C[NH+](Cc1cc2ccccc2nc1N)CC(C)(C)O CC(C)(O)[*:1] C[NH+](Cc1cc2ccccc2nc1N)C[*:1]
COC(=O)c1c(NC(=O)CSc2ccccn2)sc2c1CCC2 COC(=O)[*:1] O=C(CSc1ccccn1)Nc1sc2CCCc2c1[*:1]
COC(=O)c1c(NC(=O)CSc2ccccn2)sc2c1CCC2 c1ccc(nc1)S[*:1] COC(=O)c1c(NC(=O)C[*:1])sc2CCCc21
COC(=O)c1c(NC(=O)CSc2ccccn2)sc2c1CCC2 c1ccc(nc1)[*:1] COC(=O)c1c(NC(=O)CS[*:1])sc2CCCc21
CC(=O)Nc1cccc(-n2cnn(C[NH+]3CCc4ccccc4C3)c2=S)c1 CC(=O)N[*:1] S=c1n(cnn1C[NH+]1CCc2ccccc2C1)-c1cccc(c1)[*:1]
COc1cc(C(=O)N[C@H](C)C(=O)N2CCCCC2)nc2ccccc12 O=C(N1CCCCC1)[*:1] COc1cc(nc2ccccc12)C(=O)N[C@H](C)[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(N)=O C[C@H](C(N)=O)[*:1] c1ccc(cc1)-n1c(nnc1-c1ccco1)S[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(N)=O c1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1[*:1])C(N)=O
C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(N)=O NC(=O)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(N)=O C[C@H](S[*:1])C(N)=O c1ccc(cc1)-n1c(nnc1[*:1])-c1ccco1
C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(N)=O c1coc(c1)[*:1] C[C@H](Sc1nnc(n1-c1ccccc1)[*:1])C(N)=O
Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)[*:1]
Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1c(Cl)cccc1Cl Cc1cccc(C)c1[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1c(Cl)cccc1Cl
CCN(C(=O)[C@H]1SCCc2ccccc21)c1nc(C)cs1 Cc1csc(n1)[*:1] CCN(C(=O)[C@H]1SCCc2ccccc21)[*:1]
N/C(=N/O)[C@@H]1CN(C(=O)[C@H]2CCCCO2)CCO1 C1CC[C@@H](OC1)[*:1] N/C(=N/O)[C@@H]1CN(CCO1)C(=O)[*:1]
N/C(=N/O)[C@@H]1CN(C(=O)[C@H]2CCCCO2)CCO1 N/C(=N/O)[*:1] O=C([C@H]1CCCCO1)N1CCO[C@@H](C1)[*:1]
CC(C)(C)c1cc(NC(=O)c2ccc(C#N)cc2)n(-c2ncccn2)n1 CC(C)(C)[*:1] N#Cc1ccc(cc1)C(=O)Nc1cc(nn1-c1ncccn1)[*:1]
CC(C)(C)c1cc(NC(=O)c2ccc(C#N)cc2)n(-c2ncccn2)n1 c1cnc(nc1)[*:1] CC(C)(C)c1cc(NC(=O)c2ccc(C#N)cc2)n(n1)[*:1]
CC(C)(C)c1cc(NC(=O)c2ccc(C#N)cc2)n(-c2ncccn2)n1 N#Cc1ccc(cc1)[*:1] CC(C)(C)c1cc(NC(=O)[*:1])n(n1)-c1ncccn1
CC1(C)CN(c2ccc(C(F)(F)F)cc2N)C1=O FC(F)(F)[*:1] CC1(C)CN(C1=O)c1ccc(cc1N)[*:1]
CO[C@@H](CNC(=O)COc1ccccc1F)C(C)(C)C CC(C)(C)[*:1] CO[C@@H](CNC(=O)COc1ccccc1F)[*:1]
O=c1[nH]c2ccccc2c(=O)n1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=c1[nH]c2ccccc2c(=O)n1C[*:1]
O=c1[nH]c2ccccc2c(=O)n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=c1[nH]c2ccccc2c(=O)n1[*:1]
Cc1nc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)nn1-c1ccc(F)cc1 c1csc(c1)[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)N1CCc2sccc2[C@H]1[*:1]
Cc1nc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)nn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(nn1[*:1])C(=O)N1CCc2sccc2[C@@H]1c1cccs1
CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCCN(C1)[*:1]
CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCCN(c2ccccc2)C1 Clc1cccc(c1)[*:1] CN(C(=O)[*:1])[C@@H]1CCCN(C1)c1ccccc1
O=C(NCc1ccccc1CN1CCOCC1)C(=O)Nc1cccc(F)c1F C1CN(CCO1)[*:1] O=C(NCc1ccccc1C[*:1])C(=O)Nc1cccc(F)c1F
O=C(NCc1ccccc1CN1CCOCC1)C(=O)Nc1cccc(F)c1F C1CN(CCO1)C[*:1] O=C(NCc1ccccc1[*:1])C(=O)Nc1cccc(F)c1F
O=C(NCc1ccccc1CN1CCOCC1)C(=O)Nc1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(NCc1ccccc1CN1CCOCC1)C(=O)N[*:1]
COCc1nc(C)cc(N[C@@H]2CCC[C@H]2C(N)=O)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N[C@@H]1CCC[C@H]1C(N)=O
COCc1nc(C)cc(N[C@@H]2CCC[C@H]2C(N)=O)n1 NC(=O)[*:1] COCc1nc(C)cc(n1)N[C@@H]1CCC[C@@H]1[*:1]
O=C(N1CCC(C(=O)[O-])(n2cc[nH+]c2)CC1)C1(c2ccccc2)CC1 O=C([O-])[*:1] O=C(N1CCC(CC1)(n1cc[nH+]c1)[*:1])C1(CC1)c1ccccc1
O=C(N1CCC(C(=O)[O-])(n2cc[nH+]c2)CC1)C1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([O-])C1(CCN(CC1)C(=O)C1(CC1)[*:1])n1cc[nH+]c1
CCc1ccc(NC(=O)CN2C(=O)C[C@H](c3ccccc3)Sc3ccccc32)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)CN1C(=O)C[C@H](Sc2ccccc21)[*:1]
CCc1ccc(NC(=O)CN2C(=O)C[C@H](c3ccccc3)Sc3ccccc32)cc1 CCc1ccc(cc1)[*:1] O=C(CN1C(=O)C[C@@H](Sc2ccccc21)c1ccccc1)N[*:1]
CN(C)c1nc2ccccc2cc1C[NH+]1CCc2c([nH]c(N3CCOCC3)nc2=O)C1 CN(C)[*:1] O=c1nc([nH]c2C[NH+](CCc21)Cc1cc2ccccc2nc1[*:1])N1CCOCC1
CN(C)c1nc2ccccc2cc1C[NH+]1CCc2c([nH]c(N3CCOCC3)nc2=O)C1 C1CN(CCO1)[*:1] CN(C)c1nc2ccccc2cc1C[NH+]1CCc2c(C1)[nH]c(nc2=O)[*:1]
O=C([O-])c1cc(N2Cc3ccccc3CC2=O)ccn1 O=C([O-])[*:1] O=C1Cc2ccccc2CN1c1ccnc(c1)[*:1]
CCCCc1nnc(S[C@H](C)C(=O)Nc2ccccc2Cl)n1N CCC[*:1] C[C@@H](Sc1nnc(C[*:1])n1N)C(=O)Nc1ccccc1Cl
CCCCc1nnc(S[C@H](C)C(=O)Nc2ccccc2Cl)n1N Clc1ccccc1[*:1] CCCCc1nnc(S[C@H](C)C(=O)N[*:1])n1N
CCCCc1nnc(S[C@H](C)C(=O)Nc2ccccc2Cl)n1N CCCC[*:1] C[C@@H](Sc1nnc(n1N)[*:1])C(=O)Nc1ccccc1Cl
O=C(Nc1cc2cccc([N+](=O)[O-])c2oc1=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1cc2cccc(c2oc1=O)[N+](=O)[O-])[*:1]
O=C(Nc1cc2cccc([N+](=O)[O-])c2oc1=O)c1cccs1 O=[N+]([O-])[*:1] O=C(Nc1cc2cccc(c2oc1=O)[*:1])c1cccs1
C[C@H](CCc1ccco1)NC(=O)c1cccn1CC(=O)[O-] c1coc(c1)CC[*:1] C[C@H](NC(=O)c1cccn1CC(=O)[O-])[*:1]
C[C@H](CCc1ccco1)NC(=O)c1cccn1CC(=O)[O-] c1coc(c1)C[*:1] C[C@H](C[*:1])NC(=O)c1cccn1CC(=O)[O-]
C[C@H](CCc1ccco1)NC(=O)c1cccn1CC(=O)[O-] O=C([O-])C[*:1] C[C@H](CCc1ccco1)NC(=O)c1cccn1[*:1]
C[C@H](CCc1ccco1)NC(=O)c1cccn1CC(=O)[O-] c1coc(c1)[*:1] C[C@H](CC[*:1])NC(=O)c1cccn1CC(=O)[O-]
C[C@H](CCc1ccco1)NC(=O)c1cccn1CC(=O)[O-] O=C([O-])[*:1] C[C@H](CCc1ccco1)NC(=O)c1cccn1C[*:1]
Cc1cc(C)c2sc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)nc2c1 Fc1cccc(Cl)c1[*:1] Cc1cc(C)c2sc(nc2c1)N1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCCC[C@@H]1CO c1cnc(nc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCCC[C@@H]1CO
O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCCC[C@@H]1CO c1cnc(nc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CCCC[C@@H]1CO
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)N[*:1]
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)NC1CCCCC1 Clc1ccccc1[*:1] C[C@@H](Sc1nnc(n1C)[*:1])C(=O)NC1CCCCC1
CCOc1cccc(CN2CCO[C@@H](C)[C@@H]2C)c1OC(F)F CCO[*:1] C[C@@H]1OCCN(Cc2cccc(c2OC(F)F)[*:1])[C@H]1C
CCOc1cccc(CN2CCO[C@@H](C)[C@@H]2C)c1OC(F)F FC(F)O[*:1] CCOc1cccc(CN2CCO[C@@H](C)[C@@H]2C)c1[*:1]
CCOc1cccc(CN2CCO[C@@H](C)[C@@H]2C)c1OC(F)F FC(F)[*:1] CCOc1cccc(CN2CCO[C@@H](C)[C@@H]2C)c1O[*:1]
COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1 CN(C)S(=O)(=O)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1cc(ccc1Cl)[*:1]
COCc1cccc(CNc2ccc(I)c(C)n2)c1 COC[*:1] Cc1nc(ccc1I)NCc1cccc(c1)[*:1]
Cc1cc(S(=O)(=O)N(C)CC2CCCC2)sc1Br C1CCC(C1)[*:1] Cc1cc(sc1Br)S(=O)(=O)N(C)C[*:1]
Cc1cc(S(=O)(=O)N(C)CC2CCCC2)sc1Br C1CCC(C1)C[*:1] Cc1cc(sc1Br)S(=O)(=O)N(C)[*:1]
COc1ccc(-n2ncc3c2C[C@@H](c2ccc(F)cc2)CC3=O)cc1 COc1ccc(cc1)[*:1] O=C1C[C@@H](Cc2c1cnn2[*:1])c1ccc(F)cc1
COc1ccc(-n2ncc3c2C[C@@H](c2ccc(F)cc2)CC3=O)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-n1ncc2C(=O)C[C@H](Cc21)[*:1]
CC(C)Oc1cccc([C@@](C)(O)c2cccc(Cl)c2)c1 CC(C)[*:1] C[C@](O)(c1cccc(Cl)c1)c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@@](C)(O)c2cccc(Cl)c2)c1 CC(C)O[*:1] C[C@](O)(c1cccc(Cl)c1)c1cccc(c1)[*:1]
CON(C)C(=O)CN1CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)[*:1] CON(C)C(=O)CN1CC[NH+](CC1)C[*:1]
CON(C)C(=O)CN1CC[NH+](CC2CCCCC2)CC1 CON(C)C(=O)[*:1] C1CCC(CC1)C[NH+]1CCN(CC1)C[*:1]
CC[C@H](C)C(=O)Cn1cnc2c(F)cc(Br)cc2c1=O CC[C@H](C)C(=O)[*:1] O=c1c2cc(Br)cc(F)c2ncn1C[*:1]
CC[C@H](C)C(=O)Cn1cnc2c(F)cc(Br)cc2c1=O CC[C@H](C)[*:1] O=C(Cn1cnc2c(F)cc(Br)cc2c1=O)[*:1]
Cn1cccc1C(=O)N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] Cn1cccc1C(=O)N1CCCC[C@@H]1[*:1]
Cn1cccc1C(=O)N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] Cn1cccc1C(=O)N1CCCC[C@H]1C[*:1]
Cn1cccc1C(=O)N1CCCC[C@H]1CN1CCOCC1 Cn1cccc1[*:1] O=C(N1CCCC[C@H]1CN1CCOCC1)[*:1]
CS(=O)(=O)CCC(=O)c1ccc(F)cc1 CS(=O)(=O)C[*:1] O=C(C[*:1])c1ccc(F)cc1
CS(=O)(=O)CCC(=O)c1ccc(F)cc1 CS(=O)(=O)[*:1] O=C(CC[*:1])c1ccc(F)cc1
CC(C)c1nc(N2C[C@H](C)OC(C)(C)C2)sc1C(=O)[O-] CC(C)[*:1] C[C@H]1CN(CC(C)(C)O1)c1nc(c(s1)C(=O)[O-])[*:1]
CC(C)c1nc(N2C[C@H](C)OC(C)(C)C2)sc1C(=O)[O-] O=C([O-])[*:1] CC(C)c1nc(sc1[*:1])N1C[C@H](C)OC(C)(C)C1
CCOc1cc(F)ccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CCOc1cc(F)ccc1NC(=O)c1cnn(c1)[*:1]
CCOc1cc(F)ccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 CCO[*:1] O=C(Nc1ccc(F)cc1[*:1])c1cnn(c1)-c1cccc(Cl)c1
COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl O=C([O-])[*:1] COc1ccc(cc1Cl)NS(=O)(=O)c1ccc(Cl)c(c1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N[C@@H]1CCCc2c1cnn2[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N[C@@H]1CCCc2c1cnn2C[*:1]
COCCN(C[C@@H]1C=c2cc(C)ccc2=[NH+]C1=O)C(=O)C(C)C CC(C)[*:1] COCCN(C[C@@H]1C=c2cc(C)ccc2=[NH+]C1=O)C(=O)[*:1]
COCCN(C[C@@H]1C=c2cc(C)ccc2=[NH+]C1=O)C(=O)C(C)C COC[*:1] Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C[*:1])C(=O)C(C)C
COCCN(C[C@@H]1C=c2cc(C)ccc2=[NH+]C1=O)C(=O)C(C)C COCC[*:1] Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C(=O)C(C)C)[*:1]
O=C(CCCc1ccccn1)Nc1cc(F)ccc1O c1ccc(nc1)[*:1] O=C(CCC[*:1])Nc1cc(F)ccc1O
O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc21)NCc1cccs1 O=C(C[*:1])NCc1cccs1 O=C1CCc2cc(ccc2N1[*:1])S(=O)(=O)N1CCOCC1
O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc21)NCc1cccs1 c1csc(c1)C[*:1] O=C(CN1C(=O)CCc2cc(ccc21)S(=O)(=O)N1CCOCC1)N[*:1]
O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc21)NCc1cccs1 O=C(NCc1cccs1)[*:1] O=C1CCc2cc(ccc2N1C[*:1])S(=O)(=O)N1CCOCC1
O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc21)NCc1cccs1 c1csc(c1)[*:1] O=C(CN1C(=O)CCc2cc(ccc21)S(=O)(=O)N1CCOCC1)NC[*:1]
O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc21)NCc1cccs1 O=S(=O)(N1CCOCC1)[*:1] O=C(CN1C(=O)CCc2cc(ccc21)[*:1])NCc1cccs1
COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4cccnc4)C3)n[nH]2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)OCCc1cc(n[nH]1)[C@H]1CCN(C1)C(=O)[*:1]
COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4cccnc4)C3)n[nH]2)cc1 COc1ccc(cc1)[*:1] O=C(c1cccnc1)N1CC[C@@H](C1)c1cc(CCO[*:1])[nH]n1
COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4cccnc4)C3)n[nH]2)cc1 COc1ccc(cc1)O[*:1] O=C(c1cccnc1)N1CC[C@@H](C1)c1cc(CC[*:1])[nH]n1
C=CCN1C(=O)N/C(=C\c2ccc(C)o2)C1=O C=CC[*:1] Cc1ccc(/C=C2\NC(=O)N(C2=O)[*:1])o1
CC(=O)N[C@@H](C(=O)NCC(C1CC1)C1CC1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)NCC(C1CC1)C1CC1)[*:1]
CC(=O)N[C@@H](C(=O)NCC(C1CC1)C1CC1)C(C)C C1CC1[*:1] CC(=O)N[C@@H](C(=O)NCC(C1CC1)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)NCC(C1CC1)C1CC1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)NCC(C1CC1)C1CC1)[*:1]
O=S(=O)(/N=C([O-])/C=C/c1cccc(F)c1)c1cccc2cnccc12 Fc1cccc(c1)[*:1] O=S(=O)(/N=C(\[O-])C=C[*:1])c1cccc2cnccc12
c1cc(C[NH2+]C[C@H]([C@H]2CCOC2)N2CCOCC2)c2c(c1)OCCO2 C1CN(CCO1)[*:1] c1cc(C[NH2+]C[C@H]([C@H]2CCOC2)[*:1])c2OCCOc2c1
c1cc(C[NH2+]C[C@H]([C@H]2CCOC2)N2CCOCC2)c2c(c1)OCCO2 C1C[C@@H](CO1)[*:1] c1cc(C[NH2+]C[C@H](N2CCOCC2)[*:1])c2OCCOc2c1
CC(C)(C)Oc1cc(CNC(=O)c2ccc3nnnn3c2)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])c1ccc2nnnn2c1
CC(C)(C)Oc1cc(CNC(=O)c2ccc3nnnn3c2)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])c1ccc2nnnn2c1
COc1ccccc1N([C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1 COc1ccccc1[*:1] C[C@@H](C(=O)Nc1ccc2OCOc2c1)N(S(=O)(=O)c1cccs1)[*:1]
COc1ccccc1N([C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] COc1ccccc1N([C@@H](C)C(=O)Nc1ccc2OCOc2c1)S(=O)(=O)[*:1]
COc1ccccc1N([C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1 c1cc2OCOc2cc1[*:1] COc1ccccc1N([C@@H](C)C(=O)N[*:1])S(=O)(=O)c1cccs1
CC[C@@H](C(=O)N[C@H](C)[C@@H]1COc2ccccc21)N1CCCC1=O O=C1CCCN1[*:1] CC[C@@H](C(=O)N[C@H](C)[C@@H]1COc2ccccc21)[*:1]
O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 O=c1ccc(nn1CCNS(=O)(=O)[*:1])-c1ccco1
O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)/C=C/c1ccccc1 c1coc(c1)[*:1] O=c1ccc(nn1CCNS(=O)(=O)/C=C/c1ccccc1)[*:1]
O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] O=c1ccc(nn1CCNS(=O)(=O)C=C[*:1])-c1ccco1
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2csc(N3CCCC3=O)n2)c1 O=C1CCCN1[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)NC(=O)Cc1csc(n1)[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2csc(N3CCCC3=O)n2)c1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1cccc(c1)NC(=O)Cc1csc(n1)N1CCCC1=O)[*:1]
Cc1c(C[S@@](C)=O)cccc1NCc1ccccc1OC1CCCC1 C1CCC(C1)[*:1] Cc1c(cccc1NCc1ccccc1O[*:1])C[S@@](C)=O
Cc1c(C[S@@](C)=O)cccc1NCc1ccccc1OC1CCCC1 C1CCC(C1)O[*:1] Cc1c(cccc1NCc1ccccc1[*:1])C[S@@](C)=O
CCc1cc(OC[C@@H]2CN(CC)CCO2)c(C(=O)[O-])s1 O=C([O-])[*:1] CCc1cc(OC[C@@H]2CN(CC)CCO2)c(s1)[*:1]
C=C(C)C[NH+]1CCN(c2cc(C)nc3c(-c4ccccc4Cl)c(C)nn23)CC1 C=C(C)[*:1] Cc1cc(N2CC[NH+](CC2)C[*:1])n2nc(C)c(-c3ccccc3Cl)c2n1
C=C(C)C[NH+]1CCN(c2cc(C)nc3c(-c4ccccc4Cl)c(C)nn23)CC1 Clc1ccccc1[*:1] C=C(C)C[NH+]1CCN(CC1)c1cc(C)nc2c(c(C)nn12)[*:1]
CCN1CC(=O)Nc2cc(C(=O)O[C@@H](C)C3CC3)ccc21 C[C@@H](C1CC1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)O[*:1]
CCN1CC(=O)Nc2cc(C(=O)O[C@@H](C)C3CC3)ccc21 C1CC1[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)O[C@@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)[C@@H]1CCC(=O)N1S(=O)(=O)[*:1]
CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2csc(NC(=O)C3CC3)n2)cc1 O=C(N[*:1])C1CC1 CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)Cc1csc(n1)[*:1]
CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2csc(NC(=O)C3CC3)n2)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)Cc1csc(n1)NC(=O)[*:1]
CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2csc(NC(=O)C3CC3)n2)cc1 CC(C)(C)[*:1] O=C(Cc1csc(n1)NC(=O)C1CC1)NNC(=O)c1ccc(cc1)[*:1]
COc1ccccc1C(=O)[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2C)C1 Cc1c(Cl)cccc1[*:1] COc1ccccc1C(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
COc1ccccc1C(=O)[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2C)C1 COc1ccccc1[*:1] Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H](C1)C(=O)[*:1]
C[C@@H]1CCN(C(=O)Nc2ccc(-n3ccnn3)cc2)C[C@H]1O c1cn(nn1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)Nc1ccc(cc1)[*:1]
NC(=O)C1(Nc2ccccc2)CC[NH2+]CC1 NC(=O)[*:1] c1ccc(cc1)NC1(CC[NH2+]CC1)[*:1]
Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)C1CCCCC1 C1CCC(CC1)[*:1] Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)[*:1]
O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)Nc2ccccc21 c1cc2OCCOc2cc1[*:1] O=C1N[C@@H](Nc2ccccc21)c1cn(nc1[*:1])-c1ccccc1
O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)Nc2ccccc21 c1ccc(cc1)[*:1] O=C1N[C@@H](Nc2ccccc21)c1cn(nc1-c1ccc2OCCOc2c1)[*:1]
C[C@@H](C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)-c1nnc2CCCCn21)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)Cc1c(C)noc1Cl CC[C@@H](C)C[*:1] Cc1noc(Cl)c1CC(=O)N[C@@H](C)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)Cc1c(C)noc1Cl CC[C@@H](C)[*:1] Cc1noc(Cl)c1CC(=O)N[C@@H](C)C[*:1]
CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1(C)C O=C(NC[C@@H]1CCCO1)[*:1] CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2[*:1])C1(C)C
CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1(C)C C1CO[C@@H](C1)C[*:1] CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)N[*:1])C1(C)C
CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1(C)C C1CO[C@@H](C1)[*:1] CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)NC[*:1])C1(C)C
CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1(C)C CC(C)=C[*:1] CC1(C)[C@@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)[C@H]1[*:1]
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCn1ccccc1=O O=c1ccccn1C[*:1] C[C@@H](c1ccc(cc1)S(C)(=O)=O)N(C)C(=O)C[*:1]
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCn1ccccc1=O CS(=O)(=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)CCn1ccccc1=O
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCn1ccccc1=O O=c1ccccn1[*:1] C[C@@H](c1ccc(cc1)S(C)(=O)=O)N(C)C(=O)CC[*:1]
Cc1cc(Oc2ccccc2F)c(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(Oc2ccccc2F)c(F)cc1[*:1]
O=C(Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(CSc1nc2ccc(cc2s1)NC(=O)[*:1])N1CCOCC1
O=C(Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1)c1ccccc1Cl O=C(C[*:1])N1CCOCC1 O=C(Nc1ccc2nc(S[*:1])sc2c1)c1ccccc1Cl
O=C(Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1)c1ccccc1Cl O=C(N1CCOCC1)[*:1] O=C(Nc1ccc2nc(SC[*:1])sc2c1)c1ccccc1Cl
Cc1ccc([C@@H](CNC(=O)c2ccc(C)[nH]c2=O)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C(=O)NC[C@@H]([NH+](C)C)[*:1])c(=O)[nH]1
COC(=O)[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCO[C@@H]1C C[C@H]1OCC[C@H]1[*:1] COC(=O)[C@H]1CCC[C@H]1NC(=O)[*:1]
COC(=O)[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCO[C@@H]1C COC(=O)[*:1] C[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1[*:1]
COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 O=C(NC[C@@H]1CCCO1)[*:1] COc1cccc(OC)c1C(=O)Nc1ccc(cc1)[*:1]
O=C(C[S@](=O)c1cccc(F)c1)c1sccc1Br Brc1ccsc1[*:1] O=C(C[S@](=O)c1cccc(F)c1)[*:1]
Cc1ccc(S(=O)(=O)CC(=O)NCC(F)(F)F)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)S(=O)(=O)CC(=O)NC[*:1]
Cc1ccc(S(=O)(=O)CC(=O)NCC(F)(F)F)cc1C FC(F)(F)C[*:1] Cc1ccc(cc1C)S(=O)(=O)CC(=O)N[*:1]
O=C(c1ccn(C(F)F)n1)N1CCC[C@H](C[NH+]2CCCCC2)C1 FC(F)[*:1] O=C(c1ccn(n1)[*:1])N1CCC[C@@H](C1)C[NH+]1CCCCC1
Cc1cc(C)cc(OCC(=O)c2c(C)c(C#N)c(=O)n(C(C)C)c2[O-])c1 Cc1cc(C)cc(c1)[*:1] Cc1c(C(=O)CO[*:1])c([O-])n(c(=O)c1C#N)C(C)C
Cc1cc(C)cc(OCC(=O)c2c(C)c(C#N)c(=O)n(C(C)C)c2[O-])c1 CC(C)[*:1] Cc1cc(C)cc(c1)OCC(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
CCO[C@H]1CCCN([C@@H]2Cc3ccc(OC)cc3[C@@H]2[NH3+])C1 CCO[*:1] COc1ccc2C[C@H]([C@@H]([NH3+])c2c1)N1CCC[C@@H](C1)[*:1]
O=C(CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(NC[*:1])N[C@H](C[NH+]1CCCC1)c1ccccc1
O=C(CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)N[*:1]
O=C(CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)N[C@H](C[NH+]1CCCC1)[*:1])Nc1ccccc1
NC(=O)c1cccc(CNC(=O)NNc2ccccc2C(F)(F)F)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])NNc1ccccc1C(F)(F)F
NC(=O)c1cccc(CNC(=O)NNc2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] NC(=O)c1cccc(c1)CNC(=O)NNc1ccccc1[*:1]
CC(C)C[C@H]1NC(=O)C[C@@]12CSCCC2(C)C CC(C)[*:1] CC1(C)CCSC[C@@]12CC(=O)N[C@@H]2C[*:1]
CC(C)C[C@H]1NC(=O)C[C@@]12CSCCC2(C)C CC(C)C[*:1] CC1(C)CCSC[C@@]12CC(=O)N[C@@H]2[*:1]
C=C(Cl)CNCc1cc(C)c(F)c(C)c1 C=C(Cl)CN[*:1] Cc1cc(cc(C)c1F)C[*:1]
C=C(Cl)CNCc1cc(C)c(F)c(C)c1 C=C(Cl)[*:1] Cc1cc(cc(C)c1F)CNC[*:1]
C=C(Cl)CNCc1cc(C)c(F)c(C)c1 C=C(Cl)C[*:1] Cc1cc(cc(C)c1F)CN[*:1]
Cc1ccc(C(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)o2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)Nc1nnc(CS(=O)(=O)[*:1])o1
Cc1ccc(C(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)o2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)[*:1]
C[NH+](C)Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] C[NH+](C)Cc1cccc(c1)C(=O)N[C@@H](C#N)[*:1]
[NH3+]CCCOC1CCN(c2nc3ccccc3o2)CC1 [NH3+]CCCO[*:1] c1ccc2oc(nc2c1)N1CCC(CC1)[*:1]
Cc1noc(C)c1CCC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 Cc1noc(C)c1C[*:1] O=C(C[*:1])NC[C@@H]([C@H]1CCOC1)N1CCOCC1
Cc1noc(C)c1CCC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 C1C[C@@H](CO1)[*:1] Cc1noc(C)c1CCC(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1noc(C)c1CCC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 Cc1noc(C)c1[*:1] O=C(CC[*:1])NC[C@@H]([C@H]1CCOC1)N1CCOCC1
Cc1noc(C)c1CCC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 C1CN(CCO1)[*:1] Cc1noc(C)c1CCC(=O)NC[C@@H]([C@H]1CCOC1)[*:1]
CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C#N)c1 CC(C)[*:1] N#Cc1ccccc1NC(=O)c1cc(ccc1F)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C#N)c1 N#Cc1ccccc1[*:1] CC(C)NS(=O)(=O)c1ccc(F)c(c1)C(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C#N)c1 CC(C)NS(=O)(=O)[*:1] N#Cc1ccccc1NC(=O)c1cc(ccc1F)[*:1]
Nc1nc(NS(=O)(=O)c2ccccc2)nn1-c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] Nc1nc(nn1-c1nc(cs1)-c1ccccc1)NS(=O)(=O)[*:1]
Nc1nc(NS(=O)(=O)c2ccccc2)nn1-c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] Nc1nc(nn1-c1nc(cs1)[*:1])NS(=O)(=O)c1ccccc1
O=C(NC[C@@H](O)c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(NC[C@@H](O)c1ccccc1Cl)c1cc(ccc1Cl)[*:1]
O=C(NC[C@@H](O)c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl Clc1ccccc1[*:1] O=C(NC[C@@H](O)[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
CC(=O)c1cccc(NC(=O)c2c(-c3ccc(F)cc3)noc2C)c1 Fc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1c(noc1C)[*:1]
CC(=O)c1cccc(NC(=O)c2c(-c3ccc(F)cc3)noc2C)c1 CC(=O)[*:1] Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(F)c(NC(=S)NNC(=O)Cc2cc(F)ccc2F)c1 Fc1ccc(F)c(c1)[*:1] Cc1ccc(F)c(c1)NC(=S)NNC(=O)C[*:1]
Cc1ccc(F)c(NC(=S)NNC(=O)Cc2cc(F)ccc2F)c1 Cc1ccc(F)c(c1)[*:1] O=C(Cc1cc(F)ccc1F)NNC(=S)N[*:1]
O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1cccc(c1)[*:1]
COCC[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 COCC[C@@H](C)[*:1] C[C@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)[*:1]
COCC[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 COC[*:1] C[C@H](C[*:1])C(=O)N(C)[C@H](C)c1ccc(cc1)-n1cncn1
COCC[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 COCC[*:1] C[C@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] COCC[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc(-n2nnc(C(=O)NC3CCC(C)CC3)c2C)cc1F Cc1ccc(cc1F)[*:1] Cc1c(nnn1[*:1])C(=O)NC1CCC(C)CC1
Cc1ccc(-n2nnc(C(=O)NC3CCC(C)CC3)c2C)cc1F CC1CCC(CC1)[*:1] Cc1ccc(cc1F)-n1nnc(C(=O)N[*:1])c1C
CCC(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 CCC(=O)NC[*:1] Fc1ccc(cc1)-c1nnc2ccc(nn12)OC[*:1]
CCC(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 CCC(=O)NCCO[*:1] Fc1ccc(cc1)-c1nnc2ccc(nn12)[*:1]
CCC(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 CCC(=O)N[*:1] Fc1ccc(cc1)-c1nnc2ccc(nn12)OCC[*:1]
CCC(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 Fc1ccc(cc1)[*:1] CCC(=O)NCCOc1ccc2nnc(n2n1)[*:1]
CCC(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 CCC(=O)NCC[*:1] Fc1ccc(cc1)-c1nnc2ccc(nn12)O[*:1]
Cc1ccc(C(=O)[O-])cc1N[C@H]1CCCc2cccnc21 O=C([O-])[*:1] Cc1ccc(cc1N[C@H]1CCCc2cccnc21)[*:1]
CC[C@H](C)n1cc(C(=O)NCCc2ccc(Cl)cc2)c(=O)c(C(=O)N2CCCCCC2)c1 Clc1ccc(cc1)C[*:1] CC[C@H](C)n1cc(C(=O)NC[*:1])c(=O)c(c1)C(=O)N1CCCCCC1
CC[C@H](C)n1cc(C(=O)NCCc2ccc(Cl)cc2)c(=O)c(C(=O)N2CCCCCC2)c1 Clc1ccc(cc1)[*:1] CC[C@H](C)n1cc(C(=O)NCC[*:1])c(=O)c(c1)C(=O)N1CCCCCC1
CC[C@H](C)n1cc(C(=O)NCCc2ccc(Cl)cc2)c(=O)c(C(=O)N2CCCCCC2)c1 Clc1ccc(cc1)CC[*:1] CC[C@H](C)n1cc(C(=O)N[*:1])c(=O)c(c1)C(=O)N1CCCCCC1
CC[C@H](C)n1cc(C(=O)NCCc2ccc(Cl)cc2)c(=O)c(C(=O)N2CCCCCC2)c1 O=C(N1CCCCCC1)[*:1] CC[C@H](C)n1cc(C(=O)NCCc2ccc(Cl)cc2)c(=O)c(c1)[*:1]
Cc1cc(N2CC[C@@H](N[C@H](C)c3cccnc3Cl)C2=O)n(C)n1 Clc1ncccc1[*:1] Cc1cc(N2CC[C@@H](N[C@H](C)[*:1])C2=O)n(C)n1
Cc1cc(N2CC[C@@H](N[C@H](C)c3cccnc3Cl)C2=O)n(C)n1 Cc1cc(n(C)n1)[*:1] C[C@@H](N[C@@H]1CCN(C1=O)[*:1])c1cccnc1Cl
CCSc1ccc(Cl)cc1C(=O)N1CC[S@](=O)C(C)(C)C1 CCS[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)c1cc(Cl)ccc1[*:1]
Cc1c(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C
Cc1c(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cnn1-c1ccncc1 c1ccc(cc1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CC[C@@H]([C@H]1C)[*:1]
COc1ccc2oc(=O)c(C(=O)C[NH3+])cc2c1 [NH3+]CC(=O)[*:1] COc1ccc2oc(=O)c(cc2c1)[*:1]
CCCCCC[C@@H](C)[NH2+][C@H]1CCc2n[nH]cc2C1 CCCCC[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCc2n[nH]cc2C1
CCCCCC[C@@H](C)[NH2+][C@H]1CCc2n[nH]cc2C1 CCC[*:1] C[C@H](CCC[*:1])[NH2+][C@H]1CCc2n[nH]cc2C1
CCCCCC[C@@H](C)[NH2+][C@H]1CCc2n[nH]cc2C1 CCCC[*:1] C[C@H](CC[*:1])[NH2+][C@H]1CCc2n[nH]cc2C1
CCCCCC[C@@H](C)[NH2+][C@H]1CCc2n[nH]cc2C1 CCCCCC[*:1] C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[*:1]
O=C(Nc1ccon1)c1cc(S(=O)(=O)N2CCOCC2)cs1 c1cc(no1)[*:1] O=C(N[*:1])c1cc(cs1)S(=O)(=O)N1CCOCC1
CC(C)OCC[C@H]1CCC[C@]1(O)C[NH3+] CC(C)[*:1] [NH3+]C[C@@]1(O)CCC[C@@H]1CCO[*:1]
CC(C)OCC[C@H]1CCC[C@]1(O)C[NH3+] CC(C)O[*:1] [NH3+]C[C@@]1(O)CCC[C@@H]1CC[*:1]
COc1ccc([C@@H](C(=O)[O-])[C@H](C(=O)[O-])c2ccccc2)cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@@H](C(=O)[O-])[C@H](c1ccccc1)[*:1]
COc1ccc([C@@H](C(=O)[O-])[C@H](C(=O)[O-])c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](C(=O)[O-])[C@H](C(=O)[O-])[*:1]
COc1ccc([C@@H](C(=O)[O-])[C@H](C(=O)[O-])c2ccccc2)cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@@H]([C@H](C(=O)[O-])c1ccccc1)[*:1]
CC1CCN(C(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)CC1 CC1CCN(CC1)C(=O)[*:1] Fc1ccc(cc1)-c1nccc(n1)Oc1ccc(cc1)[*:1]
CC1CCN(C(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)CC1 Fc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)Oc1ccnc(n1)[*:1]
NC(=O)c1cn(Cc2cnn(-c3ccccc3)n2)c(C2CC2)n1 NC(=O)[*:1] c1ccc(cc1)-n1ncc(Cn2cc(nc2C2CC2)[*:1])n1
NC(=O)c1cn(Cc2cnn(-c3ccccc3)n2)c(C2CC2)n1 c1ccc(cc1)[*:1] NC(=O)c1cn(Cc2cnn(n2)[*:1])c(n1)C1CC1
NC(=O)c1cn(Cc2cnn(-c3ccccc3)n2)c(C2CC2)n1 C1CC1[*:1] NC(=O)c1cn(Cc2cnn(n2)-c2ccccc2)c(n1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1ncn(-c2ccccc2)n1 CC[C@H](C)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1ncn(n1)-c1ccccc1
CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1ncn(-c2ccccc2)n1 CC[C@H](C)NC(=O)[*:1] C[C@H](S(=O)(=O)Cc1ncn(n1)-c1ccccc1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1ncn(n1)[*:1]
O=S(=O)(/N=C1/CCCCN1)C(F)(F)F FC(F)(F)[*:1] O=S(=O)(/N=C1/CCCCN1)[*:1]
CC[C@@H](CSC)N(C)S(=O)(=O)c1cccc2cccnc12 CSC[*:1] CC[C@@H](N(C)S(=O)(=O)c1cccc2cccnc12)[*:1]
CC(C)Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 CC(C)C[*:1] O=C(NCCc1nc2ccccc2n1[*:1])c1ccc(Cl)cc1
CC(C)Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 CC(C)[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])c1ccc(Cl)cc1
CC(C)Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 Clc1ccc(cc1)[*:1] CC(C)Cn1c(CCNC(=O)[*:1])nc2ccccc21
CCN(C(=O)CSc1nnnn1-c1ccccc1OC)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CSc1nnnn1-c1ccccc1OC)[*:1]
CCN(C(=O)CSc1nnnn1-c1ccccc1OC)c1ccccc1 COc1ccccc1[*:1] CCN(C(=O)CSc1nnnn1[*:1])c1ccccc1
Cc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1NS(C)(=O)=O CS(=O)(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)N(C)[C@@H](C)c1nc2ccccc2s1
Cc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1NS(C)(=O)=O c1ccc2sc(nc2c1)[*:1] Cc1ccc(cc1NS(C)(=O)=O)C(=O)N(C)[C@@H](C)[*:1]
CCS(=O)(=O)[N-]c1ccc(Nc2nc(-c3ccncc3)nc3c2CCC3)cc1 c1cc(ccn1)[*:1] CCS(=O)(=O)[N-]c1ccc(cc1)Nc1nc(nc2CCCc21)[*:1]
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1 FC(F)(F)[*:1] CC1NC(=O)N[C@H](C=1C(=O)Nc1ccccc1C)c1ccccc1[*:1]
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1 Cc1ccccc1[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1ccccc1C(F)(F)F
C[C@H](c1ccco1)N(C(=O)Nc1ccc(F)c(F)c1F)C1CC1 C[C@H](c1ccco1)[*:1] O=C(Nc1ccc(F)c(F)c1F)N(C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)Nc1ccc(F)c(F)c1F)C1CC1 c1coc(c1)[*:1] C[C@H](N(C(=O)Nc1ccc(F)c(F)c1F)C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)Nc1ccc(F)c(F)c1F)C1CC1 C1CC1[*:1] C[C@H](c1ccco1)N(C(=O)Nc1ccc(F)c(F)c1F)[*:1]
O=C(NCC(=O)N1CCSC2(CCCCC2)C1)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C(CNC(=O)[*:1])N1CCSC2(CCCCC2)C1
N#Cc1c(Cl)nsc1NCCCCN1CCOCC1 C1CN(CCO1)[*:1] N#Cc1c(Cl)nsc1NCCCC[*:1]
CCCC(CCC)CC(=O)N1CC[C@@H](C)[C@@H](O)C1 CCC[*:1] CCCC(CC(=O)N1CC[C@@H](C)[C@@H](O)C1)[*:1]
Cc1cc([C@@H]([NH2+]C2CCCC2)C(N)=O)ccc1Br C1CCC(C1)[*:1] Cc1cc(ccc1Br)[C@@H]([NH2+][*:1])C(N)=O
Cc1cc([C@@H]([NH2+]C2CCCC2)C(N)=O)ccc1Br NC(=O)[*:1] Cc1cc(ccc1Br)[C@@H]([NH2+]C1CCCC1)[*:1]
CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nccs2)ccc1O CCO[*:1] O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(O)c(c1)[*:1])c1cc2ccccc2o1
CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nccs2)ccc1O c1csc(n1)[*:1] CCOc1cc(ccc1O)[C@H]1C(C(=O)c2cc3ccccc3o2)=C([O-])C(=O)N1[*:1]
CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nccs2)ccc1O O=C(c1cc2ccccc2o1)[*:1] CCOc1cc(ccc1O)[C@H]1C(=C([O-])C(=O)N1c1nccs1)[*:1]
CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nccs2)ccc1O c1ccc2oc(cc2c1)[*:1] CCOc1cc(ccc1O)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nccs1
CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nccs2)ccc1O CCOc1cc(ccc1O)[*:1] O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1[*:1])c1cc2ccccc2o1
COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)CC1 CC(C)[*:1] COc1ccccc1N1CCN(CC1)C(=O)[C@H]1CCCN(C1)S(=O)(=O)c1cn(cn1)[*:1]
COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)CC1 COc1ccccc1[*:1] CC(C)n1cnc(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)[*:1]
Cn1cc(C(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3cccc(F)c3)c2N)ccc1=O Cn1cc(ccc1=O)[*:1] Nc1c(cnn1-c1cccc(F)c1)C(=O)[C@H]1CCCN1C(=O)[*:1]
Cn1cc(C(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3cccc(F)c3)c2N)ccc1=O Fc1cccc(c1)[*:1] Cn1cc(ccc1=O)C(=O)N1CCC[C@@H]1C(=O)c1cnn(c1N)[*:1]
COC(=O)C1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)CC1 Fc1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)CSc1nnc(c2ccccc12)[*:1]
COC(=O)C1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)CC1 COC(=O)[*:1] O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N1CCC(CC1)[*:1]
Cc1ccncc1NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 Cc1ccncc1[*:1] O=C(CN1CCN(CC1)C(=O)N[*:1])N1CCCCC1
Cc1ccncc1NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] Cc1ccncc1NC(=O)N1CCN(CC1)C[*:1]
O=C(N1CCOCC1)N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 c1cncc(c1)[*:1] O=C(N1CCOCC1)N1CCN(C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
O=C(N1CCOCC1)N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 c1cncc(c1)C[*:1] O=C(N1CCOCC1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CC[C@@H](C)[C@@H](C(=O)Nc1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](C(=O)Nc1ccc(cc1)[N-]S(C)(=O)=O)[*:1]
CC[C@@H](C)[C@@H](C(=O)Nc1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1 CC[C@@H](C)[*:1] CS(=O)(=O)[N-]c1ccc(cc1)NC(=O)[C@@H](c1ccccc1)[*:1]
Cc1ccccc1-c1nnc(SCC(=O)N2CCNC(=O)C2)o1 Cc1ccccc1[*:1] O=C1CN(CCN1)C(=O)CSc1nnc(o1)[*:1]
Cc1cc([C@H](C)NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)[*:1]
OC[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] OC[C@@H](NCc1cnc(s1)-c1cccnc1)[*:1]
OC[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccc(Cl)cc1 c1cncc(c1)[*:1] OC[C@@H](NCc1cnc(s1)[*:1])c1ccc(Cl)cc1
O=C([O-])[C@@]1(Cc2cn3ccccc3n2)CCC[NH2+]C1 O=C([O-])[*:1] c1ccn2cc(C[C@]3(CCC[NH2+]C3)[*:1])nc2c1
ONC[C@@H](O)c1ccccc1 ONC[*:1] O[C@@H](c1ccccc1)[*:1]
CC(C)(C)N1C(=O)c2ccc(C(=O)NC[C@@H]3CCCO3)cc2C1=O CC(C)(C)[*:1] O=C(NC[C@@H]1CCCO1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC(C)(C)N1C(=O)c2ccc(C(=O)NC[C@@H]3CCCO3)cc2C1=O C1CO[C@@H](C1)C[*:1] CC(C)(C)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
CC(C)(C)N1C(=O)c2ccc(C(=O)NC[C@@H]3CCCO3)cc2C1=O C1CO[C@@H](C1)[*:1] CC(C)(C)N1C(=O)c2ccc(cc2C1=O)C(=O)NC[*:1]
COc1ccc(CCCNC(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] COc1ccc(cc1)CCCNC(=O)N[*:1]
COc1ccc(CCCNC(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1)CCCNC(=O)NC[*:1]
CC[C@@H](Cl)CCC[C@H]1CCCN(S(C)(=O)=O)C1 CC[C@@H](Cl)C[*:1] CS(=O)(=O)N1CCC[C@H](CC[*:1])C1
CC[C@@H](Cl)CCC[C@H]1CCCN(S(C)(=O)=O)C1 CC[C@@H](Cl)[*:1] CS(=O)(=O)N1CCC[C@H](CCC[*:1])C1
CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(=O)[nH]c([O-])n1 c1cncc(c1)[*:1] CN(Cc1nc(no1)[*:1])C(=O)c1cc(=O)[nH]c([O-])n1
O=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(CNC(=O)C1CCCCC1)NNC(=O)[*:1]
O=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccc(Br)o1 C1CCC(CC1)[*:1] O=C(CNC(=O)[*:1])NNC(=O)c1ccc(Br)o1
C[C@H](SCc1cc(=O)n2ccsc2n1)C(=O)NCc1cccs1 c1csc(c1)C[*:1] C[C@H](SCc1cc(=O)n2ccsc2n1)C(=O)N[*:1]
C[C@H](SCc1cc(=O)n2ccsc2n1)C(=O)NCc1cccs1 c1csc(c1)[*:1] C[C@H](SCc1cc(=O)n2ccsc2n1)C(=O)NC[*:1]
COc1cccc(CC(=O)N2CCN(Cc3cc(=O)n4ccsc4[nH+]3)CC2)c1 COc1cccc(c1)C[*:1] O=C(N1CCN(CC1)Cc1cc(=O)n2ccsc2[nH+]1)[*:1]
COc1cccc(CC(=O)N2CCN(Cc3cc(=O)n4ccsc4[nH+]3)CC2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2[nH+]1
Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCCO3)o1 Cc1ccc(o1)[*:1] C[C@H]([NH2+]Cc1cccc2OCCOc12)[*:1]
C#CCNCC(=O)Nc1nc(CC)c(C)s1 C#CC[*:1] CCc1nc(NC(=O)CN[*:1])sc1C
C#CCNCC(=O)Nc1nc(CC)c(C)s1 C#CCNC[*:1] CCc1nc(NC(=O)[*:1])sc1C
C#CCNCC(=O)Nc1nc(CC)c(C)s1 C#CCN[*:1] CCc1nc(NC(=O)C[*:1])sc1C
C[C@H](c1ccccn1)[C@@H](Cl)CCc1ccco1 c1coc(c1)[*:1] C[C@H](c1ccccn1)[C@@H](Cl)CC[*:1]
C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] C[C@H](C(=O)Nc1ccc2OCCOc2c1)[NH+]1CCN(CC1)[*:1]
C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H](C)[*:1]
Cc1cc(C)c2nc(Cl)c(CCCCl)cc2c1 ClCC[*:1] Cc1cc(C)c2nc(Cl)c(cc2c1)C[*:1]
Cc1cc(C)c2nc(Cl)c(CCCCl)cc2c1 ClCCC[*:1] Cc1cc(C)c2nc(Cl)c(cc2c1)[*:1]
COc1ccc(/C=C(/NC(C)=O)C(=O)Nc2ccccc2O)cc1OC Oc1ccccc1[*:1] COc1ccc(/C=C(/NC(C)=O)C(=O)N[*:1])cc1OC
COc1ccc(/C=C(/NC(C)=O)C(=O)Nc2ccccc2O)cc1OC CC(=O)N[*:1] COc1ccc(C=C(C(=O)Nc2ccccc2O)[*:1])cc1OC
CCOC(=O)C(C)(C)n1cc(NC(=O)C=C2CCSCC2)cn1 C(=C1CCSCC1)[*:1] CCOC(=O)C(C)(C)n1cc(cn1)NC(=O)[*:1]
CCOC(=O)C(C)(C)n1cc(NC(=O)C=C2CCSCC2)cn1 CCOC(=O)[*:1] CC(C)(n1cc(cn1)NC(=O)C=C1CCSCC1)[*:1]
Nc1cccc(OCCSC[C@@H](O)CO)c1 OC[C@H](O)[*:1] Nc1cccc(c1)OCCSC[*:1]
Nc1cccc(OCCSC[C@@H](O)CO)c1 OC[C@H](O)C[*:1] Nc1cccc(c1)OCCS[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] N#CC1=C(N)OC2C[C@H](CC(=O)C=2[C@H]1c1ccc(Cl)cc1)[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2[*:1]
O=C1CC2(CCCC2)C(=O)N1Cc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] O=C1CC2(CCCC2)C(=O)N1Cc1nnnn1[*:1]
CCCNc1ccc([N+](=O)[O-])c(-c2cc(C)ccc2F)n1 O=[N+]([O-])[*:1] CCCNc1ccc(c(n1)-c1cc(C)ccc1F)[*:1]
CCCNc1ccc([N+](=O)[O-])c(-c2cc(C)ccc2F)n1 CCCN[*:1] Cc1ccc(F)c(c1)-c1nc(ccc1[N+](=O)[O-])[*:1]
CCCNc1ccc([N+](=O)[O-])c(-c2cc(C)ccc2F)n1 CCC[*:1] Cc1ccc(F)c(c1)-c1nc(ccc1[N+](=O)[O-])N[*:1]
Cc1cc2c(N3CCO[C@H](C(N)=O)C3)ncnc2s1 NC(=O)[*:1] Cc1cc2c(ncnc2s1)N1CCO[C@H](C1)[*:1]
CCCC(C)(C)NC(=O)Nc1ccccc1S(=O)(=O)C(C)C CCCC(C)(C)[*:1] CC(C)S(=O)(=O)c1ccccc1NC(=O)N[*:1]
CCCC(C)(C)NC(=O)Nc1ccccc1S(=O)(=O)C(C)C CCC[*:1] CC(C)S(=O)(=O)c1ccccc1NC(=O)NC(C)(C)[*:1]
CCCC(C)(C)NC(=O)Nc1ccccc1S(=O)(=O)C(C)C CC(C)S(=O)(=O)[*:1] CCCC(C)(C)NC(=O)Nc1ccccc1[*:1]
CCCC(C)(C)NC(=O)Nc1ccccc1S(=O)(=O)C(C)C CC(C)[*:1] CCCC(C)(C)NC(=O)Nc1ccccc1S(=O)(=O)[*:1]
CCc1ccc(O)c(C(=O)N(C)[C@H](C)CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] CCc1ccc(O)c(c1)C(=O)N(C)[C@H](C)[*:1]
CCc1ccc(O)c(C(=O)N(C)[C@H](C)CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCc1ccc(O)c(c1)C(=O)N(C)[C@H](C)C[*:1]
CN(C)c1ccc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)cc1 CN(C)[*:1] NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(cc1)[*:1]
CN(C)c1ccc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)cc1 NC(=O)[*:1] CN(C)c1ccc(cc1)C(=O)OCC(=O)N1CCCC[C@@H]1[*:1]
COc1ccc(C[C@@H](O)c2cccs2)cn1 c1csc(c1)[*:1] COc1ccc(cn1)C[C@@H](O)[*:1]
O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cc1)N[*:1]
O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(C[C@H]1C(=O)NCCN1C(=O)[*:1])Nc1ccc(F)cc1
C[C@H](Cn1ccnc1)[NH2+]Cc1cc(F)cc(Br)c1 c1cn(cn1)[*:1] C[C@H](C[*:1])[NH2+]Cc1cc(F)cc(Br)c1
C[C@H](Cn1ccnc1)[NH2+]Cc1cc(F)cc(Br)c1 c1cn(cn1)C[*:1] C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)[*:1]
COc1cc(C(=O)O[C@@H](C)[C@H]2CCCO2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C(=O)O[C@@H](C)[C@H]1CCCO1
COc1cc(C(=O)O[C@@H](C)[C@H]2CCCO2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C(=O)O[C@@H](C)[C@H]1CCCO1
CCOc1ccc2[nH]c(=O)c(C(=O)[O-])cc2c1 CCO[*:1] O=C([O-])c1cc2cc(ccc2[nH]c1=O)[*:1]
CCOc1ccc2[nH]c(=O)c(C(=O)[O-])cc2c1 O=C([O-])[*:1] CCOc1ccc2[nH]c(=O)c(cc2c1)[*:1]
Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1 c1c[nH]c(n1)[*:1] Cc1ccccc1CC[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1 Cc1ccccc1[*:1] O=C(c1cccc(c1)-c1ncc[nH]1)N1CCC[C@@H](CC[*:1])C1
Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1 Cc1ccccc1CC[*:1] O=C(c1cccc(c1)-c1ncc[nH]1)N1CCC[C@H](C1)[*:1]
Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1 Cc1ccccc1C[*:1] O=C(c1cccc(c1)-c1ncc[nH]1)N1CCC[C@H](C1)C[*:1]
CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccccc2)Cc2ccccn2)C1=O c1ccc(nc1)[*:1] CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccccc2)C[*:1])C1=O
CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccccc2)Cc2ccccn2)C1=O c1ccc(C[*:1])nc1 CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccccc2)[*:1])C1=O
CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccccc2)Cc2ccccn2)C1=O c1ccc(cc1)[*:1] CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccccn2)C[*:1])C1=O
CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccccc2)Cc2ccccn2)C1=O c1ccc(cc1)C[*:1] CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccccn2)[*:1])C1=O
Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(C)c(Cl)ccc3s2)no1 Cc1cc(no1)[*:1] Cc1c(Cl)ccc2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(C)c(Cl)ccc3s2)no1 c1cncc(c1)[*:1] Cc1cc(no1)C(=O)N(C[*:1])c1nc2c(C)c(Cl)ccc2s1
Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(C)c(Cl)ccc3s2)no1 c1cncc(c1)C[*:1] Cc1cc(no1)C(=O)N(c1nc2c(C)c(Cl)ccc2s1)[*:1]
O=C1CN(C(=O)c2ccc(F)c([N+](=O)[O-])c2)c2ccc(C(F)(F)F)cc2N1 FC(F)(F)[*:1] O=C1CN(C(=O)c2ccc(F)c(c2)[N+](=O)[O-])c2ccc(cc2N1)[*:1]
O=C1CN(C(=O)c2ccc(F)c([N+](=O)[O-])c2)c2ccc(C(F)(F)F)cc2N1 O=[N+]([O-])[*:1] O=C1CN(C(=O)c2ccc(F)c(c2)[*:1])c2ccc(cc2N1)C(F)(F)F
CC(C)(O)[C@H]1C=C[C@](C)(O)CC1 CC(C)(O)[*:1] C[C@]1(O)C=C[C@@H](CC1)[*:1]
CN(C)C(=O)c1cccc(OC(=O)C2CC=CC2)c1 CN(C)C(=O)[*:1] O=C(Oc1cccc(c1)[*:1])C1CC=CC1
O=C(NCCCn1ccc2ccccc21)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc2c(c1)ccn2[*:1] O=C(NCCC[*:1])C1CCN(CC1)C(=O)/C=C/c1ccccc1
O=C(NCCCn1ccc2ccccc21)C1CCN(C(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(NCCCn1ccc2ccccc21)C1CCN(CC1)C(=O)[*:1]
O=C(NCCCn1ccc2ccccc21)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCCCn1ccc2ccccc21)C1CCN(CC1)C(=O)C=C[*:1]
O=C(NCCCn1ccc2ccccc21)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc2c(c1)ccn2C[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)/C=C/c1ccccc1
C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(N)=O)CC1 Clc1ccc(s1)[*:1] C=CCN(C[*:1])C(=O)C1CCN(CC1)C(N)=O
C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(N)=O)CC1 Clc1ccc(C[*:1])s1 C=CCN(C(=O)C1CCN(CC1)C(N)=O)[*:1]
C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(N)=O)CC1 C=CC[*:1] NC(=O)N1CCC(CC1)C(=O)N(Cc1ccc(Cl)s1)[*:1]
Cc1cccc(OC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)c1 Cc1cccc(c1)[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)O[*:1])C(F)(F)F
Cc1cccc(OC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)c1 FC(F)(F)[*:1] Cc1cccc(c1)OC(=O)Cc1c(C)nc2nc(nn2c1C)[*:1]
C[C@@]1(CNC(=O)N2CCC(CC(=O)[O-])CC2)CCCO1 O=C([O-])[*:1] C[C@]1(CCCO1)CNC(=O)N1CCC(CC1)C[*:1]
C[C@@]1(CNC(=O)N2CCC(CC(=O)[O-])CC2)CCCO1 O=C([O-])C[*:1] C[C@]1(CCCO1)CNC(=O)N1CCC(CC1)[*:1]
CSCC[C@@H](O)C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 CSCC[*:1] Cc1ncc2C[NH2+]CCc2c1CNC(=O)[C@H](O)[*:1]
CSCC[C@@H](O)C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 CSC[*:1] Cc1ncc2C[NH2+]CCc2c1CNC(=O)[C@H](O)C[*:1]
CSCC[C@@H](O)C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 CSCC[C@@H](O)[*:1] Cc1ncc2C[NH2+]CCc2c1CNC(=O)[*:1]
COC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 C1CC1[*:1] COC[C@@H]([NH2+]C[C@H]1CCN(C1)S(C)(=O)=O)[*:1]
COC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 COC[*:1] CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](C2CC2)[*:1])C1
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@@H](C)C(=O)NC3CCCC3)CC2)c1C C1CCC(C1)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)[C@@H](C)C(=O)N[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@@H](C)C(=O)NC3CCCC3)CC2)c1C O=C(NC1CCCC1)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)[C@@H](C)[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@@H](C)C(=O)NC3CCCC3)CC2)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)N2CCC(CC2)[C@@H](C)C(=O)NC2CCCC2)c(C)c1[*:1]
CC1(C)CN(C(=O)c2cccc(NC(=O)NC3CC3)c2)CCO1 C1CC1[*:1] CC1(C)CN(CCO1)C(=O)c1cccc(c1)NC(=O)N[*:1]
CC1(C)CN(C(=O)c2cccc(NC(=O)NC3CC3)c2)CCO1 O=C(NC1CC1)N[*:1] CC1(C)CN(CCO1)C(=O)c1cccc(c1)[*:1]
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH+]1CCNC(=O)CC1 Clc1ccccc1[*:1] Cc1nn(C[*:1])c(Cl)c1C[NH+]1CCNC(=O)CC1
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH+]1CCNC(=O)CC1 Clc1ccccc1C[*:1] Cc1nn(c(Cl)c1C[NH+]1CCNC(=O)CC1)[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)CCCOc3cccc(F)c3)cc12 Fc1cccc(c1)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)CCCO[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)CCCOc3cccc(F)c3)cc12 NC(=O)[*:1] O=C(CCCOc1cccc(F)c1)Nc1ccc2[nH]nc(c2c1)[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)CCCOc3cccc(F)c3)cc12 Fc1cccc(c1)O[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)CCC[*:1]
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)N/N=C/c1ccc(cc1)[*:1]
O=S(=O)(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccc(F)c1 c1ccc2c(c[nH]c2c1)[*:1] O=S(=O)(NC[C@H](c1ccccc1)[*:1])c1cccc(F)c1
O=S(=O)(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccc(F)c1 c1ccc(cc1)[*:1] O=S(=O)(NC[C@H](c1c[nH]c2ccccc12)[*:1])c1cccc(F)c1
O=S(=O)(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=S(=O)(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
CCOc1c(Br)cc(CNc2cc(OC)cc[nH+]2)cc1OC CCO[*:1] COc1cc[nH+]c(c1)NCc1cc(Br)c(c(c1)OC)[*:1]
Cc1cnc(-c2cccc(NC(=O)NNc3ccccc3F)c2)o1 Cc1cnc(o1)[*:1] O=C(NNc1ccccc1F)Nc1cccc(c1)[*:1]
Cc1cnc(-c2cccc(NC(=O)NNc3ccccc3F)c2)o1 Fc1ccccc1[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)NN[*:1]
Cc1ccc([C@H](CNC(=O)N2CCN(C(=O)CCC(C)C)CC2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1ccc([C@H](CNC(=O)N2CCN(C(=O)CCC(C)C)CC2)[NH+](C)C)cc1 CC(C)C[*:1] Cc1ccc(cc1)[C@H](CNC(=O)N1CCN(CC1)C(=O)C[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)N2CCN(C(=O)CCC(C)C)CC2)[NH+](C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)N1CCN(CC1)C(=O)CC[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)N2CCN(C(=O)CCC(C)C)CC2)[NH+](C)C)cc1 CC(C)CC[*:1] Cc1ccc(cc1)[C@H](CNC(=O)N1CCN(CC1)C(=O)[*:1])[NH+](C)C
Cc1cnc(-c2cccc(NC(=O)[C@@H](C)CC(=O)c3ccccc3F)c2)o1 Fc1ccccc1[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)[C@@H](C)CC(=O)[*:1]
Cc1cnc(-c2cccc(NC(=O)[C@@H](C)CC(=O)c3ccccc3F)c2)o1 O=C(c1ccccc1F)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)[C@@H](C)C[*:1]
Cc1cnc(-c2cccc(NC(=O)[C@@H](C)CC(=O)c3ccccc3F)c2)o1 Cc1cnc(o1)[*:1] C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1cccc(c1)[*:1]
CCCNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc12 CCCN[*:1] Clc1cccc(c1)-c1nnn2c1nc(c1ccccc12)[*:1]
CCCNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc12 Clc1cccc(c1)[*:1] CCCNc1nc2c(nnn2c2ccccc12)[*:1]
CCCNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc12 CCC[*:1] Clc1cccc(c1)-c1nnn2c1nc(N[*:1])c1ccccc12
Cc1cc(C)cc(CS[C@H](c2ccc(F)cc2)[C@@H](C)[NH3+])c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)CS[C@H]([C@@H](C)[NH3+])[*:1]
CC(C)(C)n1cc(C(=O)Nc2ncccc2[O-])cn1 CC(C)(C)[*:1] O=C(Nc1ncccc1[O-])c1cnn(c1)[*:1]
Cc1sc(NC(=O)C[NH+](C)Cc2ccc(F)cc2)c(C)c1C Fc1ccc(cc1)[*:1] Cc1sc(NC(=O)C[NH+](C)C[*:1])c(C)c1C
CCc1ccc([C@@H](NC(=O)CSc2ccncc2)C(C)(C)C)o1 CCc1ccc(o1)[*:1] CC(C)(C)[C@H](NC(=O)CSc1ccncc1)[*:1]
CCc1ccc([C@@H](NC(=O)CSc2ccncc2)C(C)(C)C)o1 c1cc(ccn1)[*:1] CCc1ccc(o1)[C@@H](NC(=O)CS[*:1])C(C)(C)C
CCc1ccc([C@@H](NC(=O)CSc2ccncc2)C(C)(C)C)o1 c1cc(ccn1)S[*:1] CCc1ccc(o1)[C@@H](NC(=O)C[*:1])C(C)(C)C
CCc1ccc([C@@H](NC(=O)CSc2ccncc2)C(C)(C)C)o1 CC(C)(C)[*:1] CCc1ccc(o1)[C@@H](NC(=O)CSc1ccncc1)[*:1]
O=C([O-])[C@H]1CCCN(C(=O)CCOc2ccc(F)cc2)C1 O=C([O-])[*:1] O=C(CCOc1ccc(F)cc1)N1CCC[C@@H](C1)[*:1]
O=C([O-])[C@H]1CCCN(C(=O)CCOc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)CCO[*:1]
COc1ccc([C@H]2C[C@H](C)N(C(=O)C3(C#N)CCC3)C2)cc1 N#CC1(CCC1)[*:1] COc1ccc(cc1)[C@H]1C[C@H](C)N(C1)C(=O)[*:1]
Cc1cn(-c2ccccc2)nc1NC(=O)NCCn1cccc1 c1ccn(c1)C[*:1] Cc1cn(nc1NC(=O)NC[*:1])-c1ccccc1
Cc1cn(-c2ccccc2)nc1NC(=O)NCCn1cccc1 c1ccn(c1)CC[*:1] Cc1cn(nc1NC(=O)N[*:1])-c1ccccc1
Cc1cn(-c2ccccc2)nc1NC(=O)NCCn1cccc1 c1ccc(cc1)[*:1] Cc1cn(nc1NC(=O)NCCn1cccc1)[*:1]
Cc1cn(-c2ccccc2)nc1NC(=O)NCCn1cccc1 c1ccn(c1)[*:1] Cc1cn(nc1NC(=O)NCC[*:1])-c1ccccc1
O=C1CCc2cc(OCc3ccc(C(=O)Nc4cccc(NC(=O)C5CC5)c4)o3)ccc2N1 C1CC1[*:1] O=C1CCc2cc(ccc2N1)OCc1ccc(o1)C(=O)Nc1cccc(c1)NC(=O)[*:1]
O=C1CCc2cc(OCc3ccc(C(=O)Nc4cccc(NC(=O)C5CC5)c4)o3)ccc2N1 O=C(N[*:1])C1CC1 O=C1CCc2cc(ccc2N1)OCc1ccc(o1)C(=O)Nc1cccc(c1)[*:1]
O=C1CCc2cc(OCc3ccc(C(=O)Nc4cccc(NC(=O)C5CC5)c4)o3)ccc2N1 O=C1CCc2cc(ccc2N1)[*:1] O=C(Nc1cccc(c1)NC(=O)C1CC1)c1ccc(CO[*:1])o1
CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)c1cnccn1)c1ccccc1 O=C(NC1CCCCC1)[*:1] CC[C@](C)(N(C(=O)c1cnccn1)c1ccccc1)[*:1]
CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)c1cnccn1)c1ccccc1 C1CCC(CC1)[*:1] CC[C@](C)(C(=O)N[*:1])N(C(=O)c1cnccn1)c1ccccc1
CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)c1cnccn1)c1ccccc1 c1cnc(cn1)[*:1] CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)[*:1])c1ccccc1
CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)c1cnccn1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)c1cnccn1)[*:1]
CCC[NH2+]Cc1cncc(N2CC[C@H](C)C2)n1 CCC[*:1] C[C@H]1CCN(C1)c1cncc(C[NH2+][*:1])n1
O=C(CCc1cccc(Cl)c1)NC[C@H]1CCCN(c2ncccn2)C1 Clc1cccc(c1)C[*:1] O=C(C[*:1])NC[C@H]1CCCN(C1)c1ncccn1
O=C(CCc1cccc(Cl)c1)NC[C@H]1CCCN(c2ncccn2)C1 Clc1cccc(c1)[*:1] O=C(CC[*:1])NC[C@H]1CCCN(C1)c1ncccn1
O=C(CCc1cccc(Cl)c1)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(CCc1cccc(Cl)c1)NC[C@H]1CCCN(C1)[*:1]
CCOc1ccc(SCC(=O)N(C)Cc2ccncc2)cc1 c1cc(ccn1)[*:1] CCOc1ccc(cc1)SCC(=O)N(C)C[*:1]
CCOc1ccc(SCC(=O)N(C)Cc2ccncc2)cc1 CCO[*:1] CN(Cc1ccncc1)C(=O)CSc1ccc(cc1)[*:1]
CCOc1ccc(SCC(=O)N(C)Cc2ccncc2)cc1 c1cc(ccn1)C[*:1] CCOc1ccc(cc1)SCC(=O)N(C)[*:1]
CNC(=O)Nc1ccc(Oc2cccnc2)nc1 CNC(=O)N[*:1] c1cncc(c1)Oc1ccc(cn1)[*:1]
CNC(=O)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)[*:1] CNC(=O)Nc1ccc(nc1)O[*:1]
Cc1cccnc1Nc1ncnc(N2CCN(c3cccc(C)c3C)CC2)c1N Cc1cccnc1N[*:1] Cc1cccc(c1C)N1CCN(CC1)c1ncnc(c1N)[*:1]
Cc1cccnc1Nc1ncnc(N2CCN(c3cccc(C)c3C)CC2)c1N Cc1cccc(c1C)[*:1] Cc1cccnc1Nc1ncnc(c1N)N1CCN(CC1)[*:1]
Cc1cccnc1Nc1ncnc(N2CCN(c3cccc(C)c3C)CC2)c1N Cc1cccnc1[*:1] Cc1cccc(c1C)N1CCN(CC1)c1ncnc(N[*:1])c1N
C=CCOc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 O=C([O-])[*:1] C=CCOc1cccc(c1)NC(=O)c1ccccc1[*:1]
C=CCOc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 C=CC[*:1] O=C([O-])c1ccccc1C(=O)Nc1cccc(c1)O[*:1]
C=CCOc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 C=CCO[*:1] O=C([O-])c1ccccc1C(=O)Nc1cccc(c1)[*:1]
Cc1nn(-c2ccccc2)cc1CN1CC[C@@H](S(=O)(=O)NC2CC2)C1 O=S(=O)(NC1CC1)[*:1] Cc1nn(cc1CN1CC[C@@H](C1)[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)cc1CN1CC[C@@H](S(=O)(=O)NC2CC2)C1 c1ccc(cc1)[*:1] Cc1nn(cc1CN1CC[C@H](C1)S(=O)(=O)NC1CC1)[*:1]
Cc1nn(-c2ccccc2)cc1CN1CC[C@@H](S(=O)(=O)NC2CC2)C1 C1CC1[*:1] Cc1nn(cc1CN1CC[C@H](C1)S(=O)(=O)N[*:1])-c1ccccc1
CCOc1ccc([C@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])[C@H]([NH3+])c1n[nH]c(n1)-c1cccc(F)c1
CCOc1ccc([C@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)cc1OCC Fc1cccc(c1)[*:1] CCOc1ccc(cc1OCC)[C@H]([NH3+])c1n[nH]c(n1)[*:1]
CCOc1ccc([C@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])[C@H]([NH3+])c1n[nH]c(n1)-c1cccc(F)c1
O=C(COC(=O)c1cc2c(cc1O)CCCC2)c1cnc(N2CCCCC2)s1 C1CCN(CC1)[*:1] O=C(COC(=O)c1cc2CCCCc2cc1O)c1cnc(s1)[*:1]
O=C(c1c(F)cccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(c1c(F)cccc1Cl)N1CCN(CC1)[*:1]
COC(=O)[C@H](Cc1ccccc1F)c1cc(=O)oc2c(OC)c(OC)ccc12 Fc1ccccc1[*:1] COC(=O)[C@H](C[*:1])c1cc(=O)oc2c(OC)c(ccc12)OC
COC(=O)[C@H](Cc1ccccc1F)c1cc(=O)oc2c(OC)c(OC)ccc12 Fc1ccccc1C[*:1] COC(=O)[C@H](c1cc(=O)oc2c(OC)c(ccc12)OC)[*:1]
COC(=O)[C@H](Cc1ccccc1F)c1cc(=O)oc2c(OC)c(OC)ccc12 COC(=O)[*:1] COc1ccc2c(cc(=O)oc2c1OC)[C@@H](Cc1ccccc1F)[*:1]
Cc1ccc([N+](=O)[O-])c(Oc2snc(Cl)c2C#N)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)Oc1snc(Cl)c1C#N)[*:1]
O=C([O-])c1noc(-c2ccccc2Cl)n1 O=C([O-])[*:1] Clc1ccccc1-c1nc(no1)[*:1]
CCC1(CC)[C@@H](NC(=O)N(C)Cc2nnc(C3CC3)n2C)[C@H](C)[C@@H]1OC C1CC1[*:1] CCC1(CC)[C@@H](NC(=O)N(C)Cc2nnc(n2C)[*:1])[C@H](C)[C@@H]1OC
O=C(CSc1nncn1-c1ccccc1F)N1CCN(CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] O=C(CSc1nncn1-c1ccccc1F)N1CCN(CC1)C[*:1]
O=C(CSc1nncn1-c1ccccc1F)N1CCN(CC(=O)N2CCCC2)CC1 O=C(C[*:1])N1CCCC1 O=C(CSc1nncn1-c1ccccc1F)N1CCN(CC1)[*:1]
O=C(CSc1nncn1-c1ccccc1F)N1CCN(CC(=O)N2CCCC2)CC1 Fc1ccccc1[*:1] O=C(CSc1nncn1[*:1])N1CCN(CC1)CC(=O)N1CCCC1
C[C@H](c1ccccc1F)N(C)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] C[C@H](c1ccccc1F)N(C)C(=O)CCc1nc(no1)[*:1]
C[C@H](c1ccccc1F)N(C)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 Fc1ccccc1[*:1] C[C@H](N(C)C(=O)CCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
C[NH+]1CCN(c2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c2[N+](=O)[O-])CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ncnc(c1[N+](=O)[O-])N1CC[NH+](CC1)C[*:1]
C[NH+]1CCN(c2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c2[N+](=O)[O-])CC1 c1ccc(cc1)C[*:1] C[NH+]1CCN(CC1)c1ncnc(c1[N+](=O)[O-])N1CC[NH+](CC1)[*:1]
C[NH+]1CCN(c2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)c1ncnc(c1[*:1])N1CC[NH+](CC1)Cc1ccccc1
CC(C)OCCS(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 O=C([O-])[*:1] CC(C)OCCS(=O)(=O)[N-]c1ccc(O)c(c1)[*:1]
CC(C)OCCS(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 CC(C)OC[*:1] O=C([O-])c1cc(ccc1O)[N-]S(=O)(=O)C[*:1]
CC(C)OCCS(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 CC(C)[*:1] O=C([O-])c1cc(ccc1O)[N-]S(=O)(=O)CCO[*:1]
CC(C)OCCS(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 CC(C)O[*:1] O=C([O-])c1cc(ccc1O)[N-]S(=O)(=O)CC[*:1]
CC(C)OCCS(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 CC(C)OCC[*:1] O=C([O-])c1cc(ccc1O)[N-]S(=O)(=O)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N(C)Cc1ccc2c(c1)OCO2 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)N(C)Cc1ccc2OCOc2c1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N(C)Cc1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)N(C)Cc1ccc2OCOc2c1)C[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N(C)Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CC(=O)N(CCc1ccccc1)CC(=O)N(C)C[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N(C)Cc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)N(C)Cc1ccc2OCOc2c1
CCOC(=O)c1cccc(NC(=O)Nc2cn(C)nc2CC)c1 CCOC(=O)[*:1] CCc1nn(C)cc1NC(=O)Nc1cccc(c1)[*:1]
CCS[C@H]1CCCC[C@H]1NC(=O)N(C)CCc1ccccn1 c1ccc(C[*:1])nc1 CCS[C@H]1CCCC[C@H]1NC(=O)N(C)C[*:1]
CCS[C@H]1CCCC[C@H]1NC(=O)N(C)CCc1ccccn1 c1ccc(nc1)[*:1] CCS[C@H]1CCCC[C@H]1NC(=O)N(C)CC[*:1]
CCS[C@H]1CCCC[C@H]1NC(=O)N(C)CCc1ccccn1 CCS[*:1] CN(CCc1ccccn1)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
COc1cccc(CNC(=O)N2CCC(O)(C(F)(F)F)CC2)c1 FC(F)(F)[*:1] COc1cccc(c1)CNC(=O)N1CCC(O)(CC1)[*:1]
COC(=O)[C@H]1CN(C(=O)CCOCC(F)(F)F)C[C@@H]1C FC(F)(F)[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)C(=O)CCOC[*:1]
COC(=O)[C@H]1CN(C(=O)CCOCC(F)(F)F)C[C@@H]1C FC(F)(F)C[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)C(=O)CCO[*:1]
COC(=O)[C@H]1CN(C(=O)CCOCC(F)(F)F)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@@H]1[*:1])C(=O)CCOCC(F)(F)F
COC(=O)[C@H]1CN(C(=O)CCOCC(F)(F)F)C[C@@H]1C FC(F)(F)CO[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)C(=O)CC[*:1]
O=C(Nc1ccncc1)c1cccc(-n2cnnn2)c1 c1cc(ccn1)[*:1] O=C(N[*:1])c1cccc(c1)-n1cnnn1
O=C(Nc1ccncc1)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=C(Nc1ccncc1)c1cccc(c1)[*:1]
CC(C)(C)[C@H](C#N)NC(=O)c1ccc2[nH]c(=S)oc2c1 CC(C)(C)[*:1] N#C[C@H](NC(=O)c1ccc2[nH]c(=S)oc2c1)[*:1]
C[C@H](Nc1ncc(N)cc1Br)C1CC1 C1CC1[*:1] C[C@H](Nc1ncc(N)cc1Br)[*:1]
CSc1ncc(C(=O)Nc2ccn(CC(=O)N3CC[NH+](C)CC3)n2)n1-c1ccccc1 c1ccc(cc1)[*:1] CSc1ncc(C(=O)Nc2ccn(CC(=O)N3CC[NH+](C)CC3)n2)n1[*:1]
CCO[C@H]1C[C@H](NC(=O)N(CCO)C2CC2)C12CCCC2 OCC[*:1] CCO[C@H]1C[C@H](NC(=O)N(C2CC2)[*:1])C12CCCC2
CCO[C@H]1C[C@H](NC(=O)N(CCO)C2CC2)C12CCCC2 C1CC1[*:1] CCO[C@H]1C[C@H](NC(=O)N(CCO)[*:1])C12CCCC2
CCO[C@H]1C[C@H](NC(=O)N(CCO)C2CC2)C12CCCC2 CCO[*:1] O=C(N[C@H]1C[C@@H](C12CCCC2)[*:1])N(CCO)C1CC1
COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 Cc1cc(C)cc(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)[C@H]1c2cccn2CCN1C(=O)Nc1ccccc1Cl CC(C)[*:1] O=C(Nc1ccccc1Cl)N1CCn2cccc2[C@@H]1[*:1]
CC(C)[C@H]1c2cccn2CCN1C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] CC(C)[C@H]1c2cccn2CCN1C(=O)N[*:1]
Cc1cc(C)c2nc(N(CC[NH+]3CCOCC3)C(=O)[C@@H]3COc4ccccc4O3)sc2c1 c1ccc2O[C@@H](COc2c1)[*:1] Cc1cc(C)c2nc(sc2c1)N(CC[NH+]1CCOCC1)C(=O)[*:1]
CCCCOC(=O)C[NH+]1CCC(C(N)=O)CC1 NC(=O)[*:1] CCCCOC(=O)C[NH+]1CCC(CC1)[*:1]
CCCCOC(=O)C[NH+]1CCC(C(N)=O)CC1 CCCC[*:1] NC(=O)C1CC[NH+](CC1)CC(=O)O[*:1]
CCCCOC(=O)C[NH+]1CCC(C(N)=O)CC1 CCC[*:1] NC(=O)C1CC[NH+](CC1)CC(=O)OC[*:1]
CCC(CC)NC(=O)c1cccnc1Sc1ccccc1Cl CCC(CC)[*:1] O=C(N[*:1])c1cccnc1Sc1ccccc1Cl
CCC(CC)NC(=O)c1cccnc1Sc1ccccc1Cl Clc1ccccc1[*:1] CCC(CC)NC(=O)c1cccnc1S[*:1]
CCCOc1cccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 CCCO[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)Nc1cccc(c1)[*:1]
CCCOc1cccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 CCC[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)Nc1cccc(c1)O[*:1]
Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1nc(cs1)[*:1]
Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 Cc1ccsc1[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1nc(cs1)-c1ccccc1
C[C@](NC(=O)c1ccc(Br)o1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](NC(=O)c1ccc(Br)o1)(C(=O)[O-])[*:1]
C[C@](NC(=O)c1ccc(Br)o1)(C(=O)[O-])C(F)(F)F Brc1ccc(o1)[*:1] C[C@](NC(=O)[*:1])(C(=O)[O-])C(F)(F)F
C[C@](NC(=O)c1ccc(Br)o1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@](NC(=O)c1ccc(Br)o1)(C(F)(F)F)[*:1]
CC[C@H](CO)N/C=C1/C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21 Clc1cccc(Cl)c1[*:1] CC[C@H](CO)N/C=C1/C(=O)N(c2ccccc21)[*:1]
CCCCCC(=O)N1CC[C@]2(C1)C(=O)N(CC(N)=O)c1ccccc12 CCCCC[*:1] NC(=O)CN1C(=O)[C@@]2(CCN(C2)C(=O)[*:1])c2ccccc21
CCCCCC(=O)N1CC[C@]2(C1)C(=O)N(CC(N)=O)c1ccccc12 NC(=O)[*:1] CCCCCC(=O)N1CC[C@]2(C1)C(=O)N(C[*:1])c1ccccc12
CCCCCC(=O)N1CC[C@]2(C1)C(=O)N(CC(N)=O)c1ccccc12 CCC[*:1] NC(=O)CN1C(=O)[C@@]2(CCN(C2)C(=O)CC[*:1])c2ccccc21
CCCCCC(=O)N1CC[C@]2(C1)C(=O)N(CC(N)=O)c1ccccc12 CCCC[*:1] NC(=O)CN1C(=O)[C@@]2(CCN(C2)C(=O)C[*:1])c2ccccc21
CCCCCC(=O)N1CC[C@]2(C1)C(=O)N(CC(N)=O)c1ccccc12 NC(=O)C[*:1] CCCCCC(=O)N1CC[C@]2(C1)C(=O)N(c1ccccc12)[*:1]
CC(=O)NCCCS[C@H](C)c1cccc([N+](=O)[O-])c1 CC(=O)N[*:1] C[C@@H](SCCC[*:1])c1cccc(c1)[N+](=O)[O-]
CC(=O)NCCCS[C@H](C)c1cccc([N+](=O)[O-])c1 CC(=O)NCC[*:1] C[C@@H](SC[*:1])c1cccc(c1)[N+](=O)[O-]
CC(=O)NCCCS[C@H](C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)NCCCS[C@H](C)c1cccc(c1)[*:1]
CC(=O)NCCCS[C@H](C)c1cccc([N+](=O)[O-])c1 CC(=O)NC[*:1] C[C@@H](SCC[*:1])c1cccc(c1)[N+](=O)[O-]
COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C2CCOCC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]([NH2+][C@H](C)[*:1])C1CCOCC1
COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)[*:1]
COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H](C1CCOCC1)[*:1])c1ccc(F)cc1
CCn1nccc1C(=O)N(C[C@@H]1CCCO1)c1nc2cc(OC)ccc2s1 CCn1nccc1[*:1] COc1ccc2sc(nc2c1)N(C[C@@H]1CCCO1)C(=O)[*:1]
CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 CC(C)[*:1] C[C@@H](NC(=O)NC[C@@H](N1CC[NH+](C)CC1)[*:1])c1ccc(Cl)cc1
CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 Clc1ccc(cc1)[*:1] CC(C)[C@@H](CNC(=O)N[C@H](C)[*:1])N1CC[NH+](C)CC1
CCc1ccccc1NC(=O)CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] CCc1ccccc1NC(=O)CNC(=O)c1cc(ccc1Cl)[*:1]
CCc1ccccc1NC(=O)CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl CCc1ccccc1[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCC(=O)N[*:1]
CC(=O)N(C)Cc1ccccc1NC(=O)[C@@H]1CC=CCC1 CC(=O)N(C)[*:1] O=C(Nc1ccccc1C[*:1])[C@@H]1CC=CCC1
CC(=O)N(C)Cc1ccccc1NC(=O)[C@@H]1CC=CCC1 CC(=O)N(C)C[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CC=CCC1
CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1 CC(=O)N[*:1] O=C(CCc1nc(no1)-c1ccncc1)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1 c1cc(ccn1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CCc1nc(no1)[*:1]
O=C(NCc1cc(-c2ccccc2)on1)c1cn(Cc2ccccc2)c2ncccc12 c1ccc(cc1)C[*:1] O=C(NCc1cc(on1)-c1ccccc1)c1cn(c2ncccc12)[*:1]
O=C(NCc1cc(-c2ccccc2)on1)c1cn(Cc2ccccc2)c2ncccc12 c1ccc(cc1)[*:1] O=C(NCc1cc(on1)-c1ccccc1)c1cn(C[*:1])c2ncccc12
O=C(NCc1cc(-c2ccccc2)on1)c1cn(Cc2ccccc2)c2ncccc12 c1ccc(cc1)[*:1] O=C(NCc1cc(on1)[*:1])c1cn(Cc2ccccc2)c2ncccc12
Cn1cc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)cn1 Fc1ccc(cc1)[*:1] Cn1cc(cn1)S(=O)(=O)[N-]c1ncc(C[*:1])s1
Cn1cc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)cn1 Cn1cc(cn1)[*:1] O=S(=O)([N-]c1ncc(Cc2ccc(F)cc2)s1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)NC1(/C(N)=N/O)CCCCCCC1 N/C(=N\O)[*:1] C[C@H]1OCC[C@@H]1C(=O)NC1(CCCCCCC1)[*:1]
CO[C@@H](CNC(=O)CCC1CCN(C(C)=O)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)CCC1CCN(CC1)C(C)=O)[*:1]
CC(C)N(C(=O)CN(C)S(C)(=O)=O)c1cccc(C#N)c1 CN(S(C)(=O)=O)[*:1] CC(C)N(C(=O)C[*:1])c1cccc(C#N)c1
CC(C)N(C(=O)CN(C)S(C)(=O)=O)c1cccc(C#N)c1 CC(C)[*:1] CN(CC(=O)N(c1cccc(C#N)c1)[*:1])S(C)(=O)=O
CC(C)N(C(=O)CN(C)S(C)(=O)=O)c1cccc(C#N)c1 CN(C[*:1])S(C)(=O)=O CC(C)N(C(=O)[*:1])c1cccc(C#N)c1
Cc1ccc(-c2csc(-n3c(NC(=O)CC4CCCC4)cnc3C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ncc(NC(=O)CC2CCCC2)n1-c1nc(cs1)[*:1]
Cc1ccc(-c2csc(-n3c(NC(=O)CC4CCCC4)cnc3C)n2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)-c1csc(n1)-n1c(cnc1C)NC(=O)C[*:1]
Cc1ccc(-c2csc(-n3c(NC(=O)CC4CCCC4)cnc3C)n2)cc1 O=C(CC1CCCC1)N[*:1] Cc1ccc(cc1)-c1csc(n1)-n1c(cnc1C)[*:1]
Cc1ccc(-c2csc(-n3c(NC(=O)CC4CCCC4)cnc3C)n2)cc1 C1CCC(C1)C[*:1] Cc1ccc(cc1)-c1csc(n1)-n1c(cnc1C)NC(=O)[*:1]
C[C@@H](CNC(=O)N[C@@H](C)c1cccc(Cl)c1)C[NH+]1CCCC1 Clc1cccc(c1)[*:1] C[C@@H](CNC(=O)N[C@@H](C)[*:1])C[NH+]1CCCC1
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)N[*:1]
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc2OCCOc2c1
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 Fc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc2OCCOc2c1)[*:1]
O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1F O=[N+]([O-])[*:1] O=[N+]([O-])c1c(F)ccc(c1F)[*:1]
O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1F O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(F)c(c1F)[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
C[NH+](C)[C@@H](CNC(=O)c1cccc2ccccc12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cccc2ccccc12)[*:1]
CCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(F)c(F)c1 CC(C)(C)[*:1] CCN(C(=O)c1cc(C2CC2)n(n1)[*:1])c1ccc(F)c(F)c1
CCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(F)c(F)c1 C1CC1[*:1] CCN(C(=O)c1cc(n(n1)C(C)(C)C)[*:1])c1ccc(F)c(F)c1
CCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCN(C(=O)c1cc(C2CC2)n(n1)C(C)(C)C)[*:1]
CCC(CC)[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 CCC(CC)[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)[NH2+][*:1]
CCC(CC)[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCC(CC)[NH2+][C@H]1CCC[C@@H](C1)[*:1]
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H]1C[C@H]2CC[C@@H]1C2 O=[N+]([O-])[*:1] NS(=O)(=O)c1cc(ccc1NCC[C@@H]1C[C@H]2CC[C@@H]1C2)[*:1]
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@@H]1C[C@H]2CC[C@@H]1C2 NS(=O)(=O)[*:1] O=[N+]([O-])c1ccc(NCC[C@@H]2C[C@H]3CC[C@@H]2C3)c(c1)[*:1]
CC(C)Oc1ccc([C@@H](N)C(F)(F)F)cc1 CC(C)[*:1] N[C@H](c1ccc(cc1)O[*:1])C(F)(F)F
CC(C)Oc1ccc([C@@H](N)C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)Oc1ccc(cc1)[C@@H](N)[*:1]
CC(C)Oc1ccc([C@@H](N)C(F)(F)F)cc1 CC(C)O[*:1] N[C@H](c1ccc(cc1)[*:1])C(F)(F)F
Cc1ncc(C[NH+](C)CCn2c(=O)oc3ccccc32)s1 Cc1ncc(C[*:1])s1 C[NH+](CCn1c(=O)oc2ccccc21)[*:1]
Cc1ncc(C[NH+](C)CCn2c(=O)oc3ccccc32)s1 Cc1ncc(s1)[*:1] C[NH+](CCn1c(=O)oc2ccccc21)C[*:1]
COc1n[nH]c(C(=O)Nc2cc(F)ccc2C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1n[nH]c(C(=O)Nc2cc(F)ccc2C)c1[*:1]
CCN(Cc1ccccc1)[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1nnnn1C(C)(C)C CCN(Cc1ccccc1)[*:1] CC(C)(C)n1nnnc1[C@H](c1cc2cc3OCOc3cc2[nH]c1=O)[*:1]
CCN(Cc1ccccc1)[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1nnnn1C(C)(C)C CC(C)(C)n1nnnc1[*:1] CCN(Cc1ccccc1)[C@@H](c1cc2cc3OCOc3cc2[nH]c1=O)[*:1]
CCN(Cc1ccccc1)[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1nnnn1C(C)(C)C c1ccc(cc1)C[*:1] CCN([C@@H](c1cc2cc3OCOc3cc2[nH]c1=O)c1nnnn1C(C)(C)C)[*:1]
CCN(Cc1ccccc1)[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1nnnn1C(C)(C)C CC(C)(C)[*:1] CCN(Cc1ccccc1)[C@@H](c1cc2cc3OCOc3cc2[nH]c1=O)c1nnnn1[*:1]
CCN(Cc1ccccc1)[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1nnnn1C(C)(C)C c1ccc(cc1)[*:1] CCN(C[*:1])[C@@H](c1cc2cc3OCOc3cc2[nH]c1=O)c1nnnn1C(C)(C)C
COc1cc(CCC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc(OC)c1 Fc1ccc(cc1)[*:1] COc1cc(cc(c1)OC)CCC(=O)N1C[C@@H](C[C@H]1C)[*:1]
Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)c(C)c3)c(=O)c3sccc32)c(C)c1 Cc1cc(ccc1F)[*:1] Cc1ccc(NC(=O)Cn2c(=O)n(c(=O)c3sccc32)[*:1])c(C)c1
Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)c(C)c3)c(=O)c3sccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cc(ccc1F)-n1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
CC(C)NC(=O)Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O CC(C)NC(=O)[*:1] O=c1n(C[*:1])nc2c(cccn12)-c1nc(no1)-c1cccc(F)c1
CC(C)NC(=O)Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O Fc1cccc(c1)[*:1] CC(C)NC(=O)Cn1nc2c(cccn2c1=O)-c1nc(no1)[*:1]
CC(C)NC(=O)Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O CC(C)[*:1] O=C(Cn1nc2c(cccn2c1=O)-c1nc(no1)-c1cccc(F)c1)N[*:1]
CC(C)NC(=O)Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O CC(C)NC(=O)C[*:1] O=c1n(nc2c(cccn12)-c1nc(no1)-c1cccc(F)c1)[*:1]
Cc1ccc2c(c1)N(C(=O)c1ccc(-n3ccnc3)nc1)C[C@@H](C)O2 c1cn(cn1)[*:1] Cc1ccc2O[C@H](C)CN(C(=O)c3ccc(nc3)[*:1])c2c1
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 CCN(CC)S(=O)(=O)[*:1] O=C(c1ccc(Cl)cc1)N1CCCc2cc(ccc21)[*:1]
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[*:1]
CO[C@@H](C)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 CO[C@@H](C)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)[*:1]
CO[C@@H](C)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CO[C@@H](C)C(=O)N1CCN(CC1)[C@@H](C)[*:1]
CC[C@@H](C)C(=O)NCC(=O)NC1(c2cccc(Cl)c2)CC1 CC[C@@H](C)[*:1] O=C(CNC(=O)[*:1])NC1(CC1)c1cccc(Cl)c1
CC[C@@H](C)C(=O)NCC(=O)NC1(c2cccc(Cl)c2)CC1 CC[C@@H](C)C(=O)N[*:1] O=C(C[*:1])NC1(CC1)c1cccc(Cl)c1
CC[C@@H](C)C(=O)NCC(=O)NC1(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC[C@@H](C)C(=O)NCC(=O)NC1(CC1)[*:1]
CCc1nn(C)c(CC)c1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CCc1nn(C)c(CC)c1CN1CCN(CC1)c1cccc(c1)[*:1]
CC(=O)Nc1ccccc1C[NH+]1CCC(OC2CCCCC2)CC1 C1CCC(CC1)[*:1] CC(=O)Nc1ccccc1C[NH+]1CCC(CC1)O[*:1]
CC(=O)Nc1ccccc1C[NH+]1CCC(OC2CCCCC2)CC1 CC(=O)N[*:1] c1ccc(c(c1)C[NH+]1CCC(CC1)OC1CCCCC1)[*:1]
CC(=O)Nc1ccccc1C[NH+]1CCC(OC2CCCCC2)CC1 C1CCC(CC1)O[*:1] CC(=O)Nc1ccccc1C[NH+]1CCC(CC1)[*:1]
CN(C)S(=O)(=O)c1ccc(SCC(=O)Nc2ncc(Cl)cc2Cl)nc1 CN(C)S(=O)(=O)[*:1] O=C(CSc1ccc(cn1)[*:1])Nc1ncc(Cl)cc1Cl
CN(C)S(=O)(=O)c1ccc(SCC(=O)Nc2ncc(Cl)cc2Cl)nc1 Clc1cnc(c(Cl)c1)[*:1] CN(C)S(=O)(=O)c1ccc(nc1)SCC(=O)N[*:1]
Cc1cc(C)cc(NC(=O)c2ccc3c(c2)nnn3CC[NH+](C)C)c1 Cc1cc(C)cc(c1)[*:1] C[NH+](C)CCn1nnc2cc(ccc21)C(=O)N[*:1]
CCOc1ccc(N2CCn3c2nn(CC(=O)c2ccccc2)c(=O)c3=O)cc1 O=C(C[*:1])c1ccccc1 CCOc1ccc(cc1)N1CCn2c1nn(c(=O)c2=O)[*:1]
CCOc1ccc(N2CCn3c2nn(CC(=O)c2ccccc2)c(=O)c3=O)cc1 CCOc1ccc(cc1)[*:1] O=C(Cn1nc2N(CCn2c(=O)c1=O)[*:1])c1ccccc1
CCOc1ccc(N2CCn3c2nn(CC(=O)c2ccccc2)c(=O)c3=O)cc1 O=C(c1ccccc1)[*:1] CCOc1ccc(cc1)N1CCn2c1nn(C[*:1])c(=O)c2=O
CCOc1ccc(N2CCn3c2nn(CC(=O)c2ccccc2)c(=O)c3=O)cc1 CCO[*:1] O=C(Cn1nc2N(CCn2c(=O)c1=O)c1ccc(cc1)[*:1])c1ccccc1
CCOc1ccc(N2CCn3c2nn(CC(=O)c2ccccc2)c(=O)c3=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1CCn2c1nn(CC(=O)[*:1])c(=O)c2=O
N#C/C(=C\c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] N#CC(=Cc1ccc(o1)-c1cc(ccc1Cl)C(=O)[O-])[*:1]
N#C/C(=C\c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)C(=O)N1CCOCC1 O=C([O-])[*:1] N#C/C(=C\c1ccc(o1)-c1cc(ccc1Cl)[*:1])C(=O)N1CCOCC1
COc1ccc(C(=O)CCC(=O)N2CCC[C@H]2CN2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N1CCC[C@H]1CN1CCOCC1
COc1ccc(C(=O)CCC(=O)N2CCC[C@H]2CN2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)C(=O)CCC(=O)N1CCC[C@H]1C[*:1]
COc1ccc(C(=O)CCC(=O)N2CCC[C@H]2CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)C(=O)CCC(=O)N1CCC[C@@H]1[*:1]
CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C(C)C)cc3)c(C)cc2NC1=O CC(C)[*:1] CC[C@@H]1Oc2cc(c(C)cc2NC1=O)S(=O)(=O)N(C)CC(=O)Nc1ccc(cc1)[*:1]
CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)Nc3ccc(C(C)C)cc3)c(C)cc2NC1=O CC(C)c1ccc(cc1)[*:1] CC[C@@H]1Oc2cc(c(C)cc2NC1=O)S(=O)(=O)N(C)CC(=O)N[*:1]
CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 O=S(=O)(N1CCOCC1)[*:1] CCCNC(=O)Nc1cc(ccc1N1CCCCC1)[*:1]
CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 C1CCN(CC1)[*:1] CCCNC(=O)Nc1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1
CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 CCC[*:1] O=C(Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1)N[*:1]
CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 CCCNC(=O)N[*:1] O=S(=O)(c1ccc(c(c1)[*:1])N1CCCCC1)N1CCOCC1
CC[C@@H](CCO)C[NH2+][C@H](C)c1ccsc1 c1cc(cs1)[*:1] CC[C@@H](CCO)C[NH2+][C@H](C)[*:1]
CC[C@@H](CCO)C[NH2+][C@H](C)c1ccsc1 OCC[*:1] CC[C@@H](C[NH2+][C@H](C)c1ccsc1)[*:1]
CCCCC(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1 CCC[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)C(=O)C[*:1]
CCCCC(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1 COC(=O)[*:1] CCCCC(=O)N1C[C@H](C)[C@@H](C1)[*:1]
CCCCC(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1 CCCC[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)C(=O)[*:1]
O=C(Nc1ccon1)c1cccc(F)c1 c1cc(no1)[*:1] O=C(N[*:1])c1cccc(F)c1
Cc1ccc(Sc2cc3c(cc2NC(=O)COc2ccccc2C)n(C)c(=O)n3C)cc1 Cc1ccccc1OC[*:1] Cc1ccc(cc1)Sc1cc2c(cc1NC(=O)[*:1])n(C)c(=O)n2C
Cc1ccc(Sc2cc3c(cc2NC(=O)COc2ccccc2C)n(C)c(=O)n3C)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)Sc1cc2c(cc1NC(=O)CO[*:1])n(C)c(=O)n2C
Cc1ccc(Sc2cc3c(cc2NC(=O)COc2ccccc2C)n(C)c(=O)n3C)cc1 Cc1ccccc1O[*:1] Cc1ccc(cc1)Sc1cc2c(cc1NC(=O)C[*:1])n(C)c(=O)n2C
Cc1ccc(Sc2cc3c(cc2NC(=O)COc2ccccc2C)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)S[*:1] Cc1ccccc1OCC(=O)Nc1cc2c(cc1[*:1])n(C)c(=O)n2C
Cc1ccc(Sc2cc3c(cc2NC(=O)COc2ccccc2C)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1OCC(=O)Nc1cc2c(cc1S[*:1])n(C)c(=O)n2C
CC(C)c1cc(NCCc2cccc(C(N)=O)c2)nc(C(C)C)n1 NC(=O)[*:1] CC(C)c1cc(nc(n1)C(C)C)NCCc1cccc(c1)[*:1]
CC(C)c1cc(NCCc2cccc(C(N)=O)c2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1cc(nc(n1)[*:1])NCCc1cccc(c1)C(N)=O
CC(C)c1cc(NCCc2cccc(C(N)=O)c2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1nc(cc(n1)[*:1])NCCc1cccc(c1)C(N)=O
C[C@H](NC[C@H](C)N(C)Cc1ccccc1)c1nc2ccccc2n1C c1ccc(cc1)C[*:1] C[C@H](NC[C@H](C)N(C)[*:1])c1nc2ccccc2n1C
C[C@H](NC[C@H](C)N(C)Cc1ccccc1)c1nc2ccccc2n1C c1ccc(cc1)[*:1] C[C@H](NC[C@H](C)N(C)C[*:1])c1nc2ccccc2n1C
CCn1c(=O)c2ccccc2n(CC(=O)Nc2c(F)cccc2F)c1=O Fc1cccc(F)c1[*:1] CCn1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
CCN(C1CCN(C(=O)c2cc(F)ccc2O)CC1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] O=C(c1cc(F)ccc1O)N1CCC(CC1)[*:1]
Cc1cccc(-c2nnc(SCC(=O)C(C)(C)C)o2)c1 CC(C)(C)[*:1] Cc1cccc(c1)-c1nnc(o1)SCC(=O)[*:1]
Cc1cccc(-c2nnc(SCC(=O)C(C)(C)C)o2)c1 CC(C)(C)C(=O)[*:1] Cc1cccc(c1)-c1nnc(o1)SC[*:1]
CON(C)S(=O)(=O)c1cccc(C(=O)NCC2CCC(C)(C)CC2)c1 CON(C)S(=O)(=O)[*:1] CC1(C)CCC(CC1)CNC(=O)c1cccc(c1)[*:1]
CON(C)S(=O)(=O)c1cccc(C(=O)NCC2CCC(C)(C)CC2)c1 CC1(C)CCC(CC1)[*:1] CON(C)S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1sc(C2CCCC2)nc1C CNC(=O)[C@H](C)[*:1] Cc1nc(sc1C(=O)N(C)C[*:1])C1CCCC1
CNC(=O)[C@H](C)CN(C)C(=O)c1sc(C2CCCC2)nc1C C1CCC(C1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)c1sc(nc1C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1sc(C2CCCC2)nc1C CNC(=O)[C@H](C)C[*:1] Cc1nc(sc1C(=O)N(C)[*:1])C1CCCC1
CNC(=O)[C@H](C)CN(C)C(=O)c1sc(C2CCCC2)nc1C CNC(=O)[*:1] Cc1nc(sc1C(=O)N(C)C[C@@H](C)[*:1])C1CCCC1
C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)N1CCc2ccccc21 CS(=O)(=O)[*:1] C[C@@H](CNC(=O)c1ccc(cc1)[*:1])N1CCc2ccccc21
Cc1ccc(C[NH+](CCS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] CS(=O)(=O)C[*:1] Cc1ccc(cc1[N+](=O)[O-])C[NH+](C[*:1])C1CC1
Cc1ccc(C[NH+](CCS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C[NH+](CCS(C)(=O)=O)C1CC1
Cc1ccc(C[NH+](CCS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] C1CC1[*:1] Cc1ccc(cc1[N+](=O)[O-])C[NH+](CCS(C)(=O)=O)[*:1]
Cc1ccc(C[NH+](CCS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] CS(=O)(=O)CC[*:1] Cc1ccc(cc1[N+](=O)[O-])C[NH+](C1CC1)[*:1]
Cc1ccc(C[NH+](CCS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] CS(=O)(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])C[NH+](CC[*:1])C1CC1
Cc1c(C(=O)NCc2ccc(OC(C)C)nc2)cnn1C Cc1c(cnn1C)[*:1] CC(C)Oc1ccc(cn1)CNC(=O)[*:1]
Cc1c(C(=O)NCc2ccc(OC(C)C)nc2)cnn1C CC(C)[*:1] Cc1c(cnn1C)C(=O)NCc1ccc(nc1)O[*:1]
Cc1c(C(=O)NCc2ccc(OC(C)C)nc2)cnn1C CC(C)O[*:1] Cc1c(cnn1C)C(=O)NCc1ccc(nc1)[*:1]
O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=c1c2[nH]c3ccc(F)cc3c2ncn1CC[*:1]
O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)N[*:1]
CC(C)(C)c1nc(C[NH2+]C[C@@H]2Cc3ccccc3O2)cs1 CC(C)(C)[*:1] c1ccc2O[C@H](C[NH2+]Cc3csc(n3)[*:1])Cc2c1
OC[C@H](O)c1cc(F)c(F)c(F)c1 OC[C@H](O)[*:1] Fc1cc(cc(F)c1F)[*:1]
COCCN(CCC#N)C(=O)c1c(O)cc(Cl)cc1Cl N#CCC[*:1] COCCN(C(=O)c1c(O)cc(Cl)cc1Cl)[*:1]
COCCN(CCC#N)C(=O)c1c(O)cc(Cl)cc1Cl N#CC[*:1] COCCN(C[*:1])C(=O)c1c(O)cc(Cl)cc1Cl
COCCN(CCC#N)C(=O)c1c(O)cc(Cl)cc1Cl COCC[*:1] N#CCCN(C(=O)c1c(O)cc(Cl)cc1Cl)[*:1]
COCCN(CCC#N)C(=O)c1c(O)cc(Cl)cc1Cl COC[*:1] N#CCCN(C[*:1])C(=O)c1c(O)cc(Cl)cc1Cl
O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=S(=O)(Nc1cccc(c1)-c1nnnn1C1CC1)[*:1]
O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(Br)s1 C1CC1n1nnnc1[*:1] O=S(=O)(Nc1cccc(c1)[*:1])c1ccc(Br)s1
O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(Br)s1 C1CC1[*:1] O=S(=O)(Nc1cccc(c1)-c1nnnn1[*:1])c1ccc(Br)s1
CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccn(-c2ncccc2Cl)n1 CC(C)C[*:1] C[NH+](C)CCN(C(=O)Nc1ccn(n1)-c1ncccc1Cl)[*:1]
CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccn(-c2ncccc2Cl)n1 CC(C)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Nc1ccn(n1)-c1ncccc1Cl
CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccn(n1)[*:1]
O=C(NC1CC1)c1n[n-]c(-n2cnnc2)n1 C1CC1[*:1] O=C(N[*:1])c1n[n-]c(n1)-n1cnnc1
O=C(NC1CC1)c1n[n-]c(-n2cnnc2)n1 c1nncn1[*:1] O=C(NC1CC1)c1n[n-]c(n1)[*:1]
CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)NCc2ccc(F)cc2F)c1=O Fc1ccc(c(F)c1)[*:1] CCNC(=O)c1cn(cc(C(=O)NC[*:1])c1=O)[C@@H](C)CC
CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)NCc2ccc(F)cc2F)c1=O CCNC(=O)[*:1] CC[C@H](C)n1cc(C(=O)NCc2ccc(F)cc2F)c(=O)c(c1)[*:1]
CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)NCc2ccc(F)cc2F)c1=O Fc1ccc(C[*:1])c(F)c1 CCNC(=O)c1cn(cc(C(=O)N[*:1])c1=O)[C@@H](C)CC
CC(=O)Nc1cccc2c1CCN([C@H]1CC(=O)N(CCC(C)C)C1=O)C2 CC(C)[*:1] CC(=O)Nc1cccc2CN(CCc21)[C@H]1CC(=O)N(CC[*:1])C1=O
CC(=O)Nc1cccc2c1CCN([C@H]1CC(=O)N(CCC(C)C)C1=O)C2 CC(C)C[*:1] CC(=O)Nc1cccc2CN(CCc21)[C@H]1CC(=O)N(C[*:1])C1=O
CC(=O)Nc1cccc2c1CCN([C@H]1CC(=O)N(CCC(C)C)C1=O)C2 CC(=O)N[*:1] CC(C)CCN1C(=O)C[C@@H](C1=O)N1CCc2c(cccc2[*:1])C1
CC(=O)Nc1cccc2c1CCN([C@H]1CC(=O)N(CCC(C)C)C1=O)C2 CC(C)CC[*:1] CC(=O)Nc1cccc2CN(CCc21)[C@H]1CC(=O)N(C1=O)[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2)cc1OC c1ccc(cc1)[*:1] CCOc1ccc(cc1OC)[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1C[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2)cc1OC CCOc1ccc(cc1OC)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](N1Cc1ccccc1)[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2)cc1OC c1ccc(cc1)C[*:1] CCOc1ccc(cc1OC)[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1Cc1ccccc1
Cc1ccc(CNC(=O)Nc2ccn(C)n2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)Nc2ccn(C)n2)c(c1)[*:1]
Cc1ccc(CNC(=O)Nc2ccn(C)n2)c(N(C)C)c1 Cn1ccc(n1)[*:1] Cc1ccc(CNC(=O)N[*:1])c(c1)N(C)C
Cc1c(C(=O)NCc2ccccc2Cl)nnn1-c1ccc(F)cc1 Clc1ccccc1C[*:1] Cc1c(nnn1-c1ccc(F)cc1)C(=O)N[*:1]
Cc1c(C(=O)NCc2ccccc2Cl)nnn1-c1ccc(F)cc1 Clc1ccccc1[*:1] Cc1c(nnn1-c1ccc(F)cc1)C(=O)NC[*:1]
Cc1c(C(=O)NCc2ccccc2Cl)nnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)NCc1ccccc1Cl
FC(F)(F)CC[NH+](C/C=C/c1ccco1)C1CCC1 FC(F)(F)CC[*:1] C(=C/c1ccco1)\C[NH+](C1CCC1)[*:1]
FC(F)(F)CC[NH+](C/C=C/c1ccco1)C1CCC1 FC(F)(F)[*:1] C(=C/c1ccco1)\C[NH+](CC[*:1])C1CCC1
FC(F)(F)CC[NH+](C/C=C/c1ccco1)C1CCC1 FC(F)(F)C[*:1] C(=C/c1ccco1)\C[NH+](C[*:1])C1CCC1
FC(F)(F)CC[NH+](C/C=C/c1ccco1)C1CCC1 c1coc(c1)[*:1] FC(F)(F)CC[NH+](CC=C[*:1])C1CCC1
FC(F)(F)CC[NH+](C/C=C/c1ccco1)C1CCC1 C1CC(C1)[*:1] FC(F)(F)CC[NH+](C/C=C/c1ccco1)[*:1]
COc1cccc(-n2nnc(C(=O)Nc3ccc(C)cn3)c2C)c1 Cc1ccc(nc1)[*:1] COc1cccc(c1)-n1nnc(C(=O)N[*:1])c1C
COc1cccc(-n2nnc(C(=O)Nc3ccc(C)cn3)c2C)c1 COc1cccc(c1)[*:1] Cc1ccc(nc1)NC(=O)c1nnn(c1C)[*:1]
C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 Fc1ccc(cc1)C[*:1] C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 C[C@@H](O)[*:1] O=C1[C@@H]2[C@H](N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1Cc1ccc(F)cc1)[*:1]
C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 Fc1ccc(cc1)[*:1] C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
Cc1nc(C)c(C[NH2+]C2CCN(C(=O)OC(C)C)CC2)s1 Cc1nc(C)c(s1)[*:1] CC(C)OC(=O)N1CCC(CC1)[NH2+]C[*:1]
Cc1nc(C)c(C[NH2+]C2CCN(C(=O)OC(C)C)CC2)s1 CC(C)[*:1] Cc1nc(C)c(C[NH2+]C2CCN(CC2)C(=O)O[*:1])s1
CCOC(=O)c1cc(-c2ccccc2)n(C)c1C CCOC(=O)[*:1] Cc1c(cc(-c2ccccc2)n1C)[*:1]
CCOC(=O)c1cc(-c2ccccc2)n(C)c1C c1ccc(cc1)[*:1] CCOC(=O)c1cc(n(C)c1C)[*:1]
CCOc1ccccc1CNc1ncnc2c1nc1n2CCCCC1 CCO[*:1] c1ccc(c(c1)CNc1ncnc2c1nc1CCCCCn12)[*:1]
CCCC(CO)(CO)Cc1c(Cl)cccc1Cl CCC[*:1] OCC(CO)(Cc1c(Cl)cccc1Cl)[*:1]
O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1n[nH]c(=O)[nH]1 O=c1[nH]nc([nH]1)[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)NCC[*:1]
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1Cl)NS(=O)(=O)c1ccc(cc1C)[*:1]
Cc1c([C@@H](C)NCCc2nncn2C2CC2)cnn1-c1ccc(F)cc1 c1nnc(n1C1CC1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NCC[*:1]
Cc1c([C@@H](C)NCCc2nncn2C2CC2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)NCCc1nncn1C1CC1
Cc1c([C@@H](C)NCCc2nncn2C2CC2)cnn1-c1ccc(F)cc1 C1CC1[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NCCc1nncn1[*:1]
C[C@@H](NC(=O)c1sccc1C1CC1)c1ccc(Cl)cc1 C1CC1[*:1] C[C@@H](NC(=O)c1sccc1[*:1])c1ccc(Cl)cc1
C[C@@H]1Oc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(Cl)c3)cc2NC1=O Clc1ccc(cc1Cl)[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)[C@@H](C)O[*:1]
CC(C)c1nc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n[nH]1 CC(C)[*:1] C[C@@H](NC(=O)c1n[nH]c(n1)[*:1])c1ccc(Cl)cc1Cl
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1cccc2ccccc12 c1ccc(cc1)C[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)[*:1])c1cccc2ccccc12
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1cccc2ccccc12 c1ccc(cc1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)C[*:1])c1cccc2ccccc12
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)Cc1ccccc1)[*:1]
CCOc1ccccc1CN1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 CCO[*:1] Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(Cc2ccccc2[*:1])C1
CCOc1ccccc1CN1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 c1cn(cn1)[*:1] CCOc1ccccc1CN1CCC[C@H](C1)c1nnc(C[*:1])n1C
CCOc1ccccc1CN1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 c1cn(cn1)C[*:1] CCOc1ccccc1CN1CCC[C@H](C1)c1nnc(n1C)[*:1]
CCOc1ccccc1CN1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 CCOc1ccccc1[*:1] Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C1)C[*:1]
Cc1cnc(C(C)(C)NC(=O)CCCOc2ccccc2Cl)s1 Clc1ccccc1[*:1] Cc1cnc(s1)C(C)(C)NC(=O)CCCO[*:1]
Cc1cnc(C(C)(C)NC(=O)CCCOc2ccccc2Cl)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)CCCOc1ccccc1Cl)[*:1]
CCc1onc(C)c1NC(=O)NCc1ccccc1CN1CCOCC1 CCc1onc(C)c1[*:1] O=C(NCc1ccccc1CN1CCOCC1)N[*:1]
CCc1onc(C)c1NC(=O)NCc1ccccc1CN1CCOCC1 C1CN(CCO1)C[*:1] CCc1onc(C)c1NC(=O)NCc1ccccc1[*:1]
CCc1onc(C)c1NC(=O)NCc1ccccc1CN1CCOCC1 C1CN(CCO1)[*:1] CCc1onc(C)c1NC(=O)NCc1ccccc1C[*:1]
CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 CC(C)C[*:1] C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)[*:1]
CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 CC(C)[*:1] C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)C[*:1]
N#C/C(=C/c1ccccc1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] N#C/C(=C/c1ccccc1)C(=O)N[*:1]
N#C/C(=C/c1ccccc1)C(=O)NC[C@H]1CCCO1 c1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)NC[C@H]1CCCO1
N#C/C(=C/c1ccccc1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] N#C/C(=C/c1ccccc1)C(=O)NC[*:1]
COC(=O)c1ccc(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)s1 C1CCN(C1)[*:1] COC(=O)c1ccc(s1)C(=O)N[C@H](C)c1cccc(c1)[*:1]
COC(=O)c1ccc(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)s1 COC(=O)[*:1] C[C@@H](NC(=O)c1ccc(s1)[*:1])c1cccc(c1)N1CCCC1
CCCc1cc(NC(=O)N2CCC[C@H]2CSC)n(C)n1 CCC[*:1] CSC[C@@H]1CCCN1C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)N2CCC[C@H]2CSC)n(C)n1 CSC[*:1] CCCc1cc(NC(=O)N2CCC[C@@H]2[*:1])n(C)n1
Cc1ccc(C)c(-n2ncc(C[NH3+])c2C(F)F)c1 FC(F)[*:1] Cc1ccc(C)c(c1)-n1ncc(C[NH3+])c1[*:1]
CCN(C(=O)c1cccc(OCC(F)F)n1)c1ccncc1 FC(F)C[*:1] CCN(C(=O)c1cccc(n1)O[*:1])c1ccncc1
CCN(C(=O)c1cccc(OCC(F)F)n1)c1ccncc1 FC(F)CO[*:1] CCN(C(=O)c1cccc(n1)[*:1])c1ccncc1
CCN(C(=O)c1cccc(OCC(F)F)n1)c1ccncc1 FC(F)[*:1] CCN(C(=O)c1cccc(n1)OC[*:1])c1ccncc1
CCN(C(=O)c1cccc(OCC(F)F)n1)c1ccncc1 c1cc(ccn1)[*:1] CCN(C(=O)c1cccc(n1)OCC(F)F)[*:1]
Cc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)C(=O)NC1(CCC1)C[*:1]
Cc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)C(=O)NC1(CCC1)[*:1]
CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(SCC#N)c1 CC[C@@H](C)[*:1] C[C@@H](NC(=O)c1cccc(c1)SCC#N)[*:1]
CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(SCC#N)c1 N#CCS[*:1] CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(c1)[*:1]
CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(SCC#N)c1 N#CC[*:1] CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(c1)S[*:1]
CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(SCC#N)c1 CC[C@@H](C)[C@@H](C)[*:1] N#CCSc1cccc(c1)C(=O)N[*:1]
Cc1cc(C)c(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)c(=O)[nH]1 Cc1ccccc1[*:1] Cc1cc(C)c(C(=O)N(CC2CC[NH+](CC2)CC[*:1])C2CCCC2)c(=O)[nH]1
Cc1cc(C)c(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)c(=O)[nH]1 Cc1ccccc1C[*:1] Cc1cc(C)c(C(=O)N(CC2CC[NH+](CC2)C[*:1])C2CCCC2)c(=O)[nH]1
Cc1cc(C)c(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)c(=O)[nH]1 Cc1ccccc1CC[*:1] Cc1cc(C)c(C(=O)N(CC2CC[NH+](CC2)[*:1])C2CCCC2)c(=O)[nH]1
Cc1cc(C)c(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)c(=O)[nH]1 C1CCC(C1)[*:1] Cc1cc(C)c(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)[*:1])c(=O)[nH]1
Cc1cc(C)c(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)c(=O)[nH]1 Cc1cc(C)c(c(=O)[nH]1)[*:1] Cc1ccccc1CC[NH+]1CCC(CC1)CN(C(=O)[*:1])C1CCCC1
COCCOc1ccc2c(C)cc(=O)oc2c1 COCCO[*:1] Cc1cc(=O)oc2cc(ccc12)[*:1]
COCCOc1ccc2c(C)cc(=O)oc2c1 COC[*:1] Cc1cc(=O)oc2cc(ccc12)OC[*:1]
COCCOc1ccc2c(C)cc(=O)oc2c1 COCC[*:1] Cc1cc(=O)oc2cc(ccc12)O[*:1]
COC(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)nc2)c1C c1ncn(n1)[*:1] COC(=O)c1cccc(NC(=O)c2ccc(nc2)[*:1])c1C
COC(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)nc2)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(nc1)-n1cncn1
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N(C)CC(F)(F)F CCS(=O)(=O)[*:1] CN(CC(F)(F)F)C(=O)c1cc(Cl)ccc1[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N(C)CC(F)(F)F FC(F)(F)C[*:1] CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N(C)[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N(C)CC(F)(F)F FC(F)(F)[*:1] CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N(C)C[*:1]
Cc1nc(S[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n(C2CCCC2)c1C C1CCC(C1)[*:1] Cc1nc(S[C@H](C)C(=O)Nc2ccc(cc2)SC(F)F)n(c1C)[*:1]
Cc1nc(S[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n(C2CCCC2)c1C FC(F)[*:1] Cc1nc(S[C@H](C)C(=O)Nc2ccc(cc2)S[*:1])n(c1C)C1CCCC1
Cc1nc(S[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n(C2CCCC2)c1C FC(F)S[*:1] Cc1nc(S[C@H](C)C(=O)Nc2ccc(cc2)[*:1])n(c1C)C1CCCC1
CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(Br)c1 CCC(C)(C)[*:1] C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)N[*:1]
O=C(Nc1cccnc1Cl)N1CCC[C@@H](C(=O)N2CCOCC2)C1 O=C(N1CCOCC1)[*:1] O=C(Nc1cccnc1Cl)N1CCC[C@@H](C1)[*:1]
O=C(Nc1cccnc1Cl)N1CCC[C@@H](C(=O)N2CCOCC2)C1 Clc1ncccc1[*:1] O=C(N[*:1])N1CCC[C@H](C1)C(=O)N1CCOCC1
Cn1c(CCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)n[nH]c1=S FC(F)(F)[*:1] Cn1c(CCNC(=O)[C@@H]2CCCC[C@H]2[*:1])n[nH]c1=S
Cn1c(CCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)n[nH]c1=S Cn1c(n[nH]c1=S)[*:1] O=C(NCC[*:1])[C@@H]1CCCC[C@@H]1C(F)(F)F
O=C(CN1CC[NH+](C[C@@H](O)C2CC2)CC1)N1CCc2ccccc21 C1CC1[*:1] O=C(CN1CC[NH+](CC1)C[C@@H](O)[*:1])N1CCc2ccccc21
O=C(CN1C(=O)CNC1=O)Nc1cccc(-c2cn[nH]c2)c1 O=C1CNC(=O)N1[*:1] O=C(C[*:1])Nc1cccc(c1)-c1cn[nH]c1
O=C(CN1C(=O)CNC1=O)Nc1cccc(-c2cn[nH]c2)c1 c1n[nH]cc1[*:1] O=C(CN1C(=O)CNC1=O)Nc1cccc(c1)[*:1]
Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cccc(I)c1 Ic1cccc(c1)[*:1] Cc1ccccc1-n1c(C)nnc1SCC(=O)N[*:1]
Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cccc(I)c1 Cc1ccccc1[*:1] Cc1nnc(SCC(=O)Nc2cccc(I)c2)n1[*:1]
CC(=O)Oc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1 CC(=O)O[*:1] N#C/C(=C\c1ccc(cc1)[*:1])c1nnc2CCCCCn21
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCN1C(=O)CCC1=O O=C([O-])[*:1] C[C@H]1[C@@H](CCN1C(=O)CCN1C(=O)CCC1=O)[*:1]
CCc1nc(-c2cc([N+](=O)[O-])ccc2OC)n[nH]1 O=[N+]([O-])[*:1] CCc1nc(n[nH]1)-c1cc(ccc1OC)[*:1]
CC[C@H]1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 C1CO[C@@H](C1)[*:1] CC[C@H]1CC[C@@H](C1)[NH+]1CCN(CC1)C(=O)[*:1]
CC[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1CCc2ccccc21 Oc1ccc(cc1)[*:1] CC[NH2+][C@H](C[*:1])[C@H]1CCc2ccccc21
CN(C)C(=O)[C@@H]1CC[C@H](CNc2ncc(Cl)cn2)O1 CN(C)C(=O)[*:1] Clc1cnc(nc1)NC[C@H]1CC[C@H](O1)[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)Cc1ccccc1
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
Cn1cc(C[C@H](CNc2nc3ccccc3cc2CO)C(N)=O)cn1 Cn1cc(cn1)[*:1] NC(=O)[C@@H](CNc1nc2ccccc2cc1CO)C[*:1]
Cn1cc(C[C@H](CNc2nc3ccccc3cc2CO)C(N)=O)cn1 Cn1cc(cn1)C[*:1] NC(=O)[C@@H](CNc1nc2ccccc2cc1CO)[*:1]
Cn1cc(C[C@H](CNc2nc3ccccc3cc2CO)C(N)=O)cn1 NC(=O)[*:1] Cn1cc(cn1)C[C@H](CNc1nc2ccccc2cc1CO)[*:1]
COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)NC(=S)Nc1ccccc1N1CCCCC1
COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] C1CCN(CC1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccccc1[*:1]
Cc1cc2oc(=O)cc(C[NH+]3CCN(CC(N)=O)CC3)c2cc1C NC(=O)[*:1] Cc1cc2oc(=O)cc(C[NH+]3CCN(CC3)C[*:1])c2cc1C
Cc1cc2oc(=O)cc(C[NH+]3CCN(CC(N)=O)CC3)c2cc1C NC(=O)C[*:1] Cc1cc2oc(=O)cc(C[NH+]3CCN(CC3)[*:1])c2cc1C
CC(C)Oc1cccc(/C=C/C(=O)N[C@@H]2CCC(=O)NC2)c1 CC(C)O[*:1] O=C(/C=C/c1cccc(c1)[*:1])N[C@@H]1CCC(=O)NC1
CC(C)Oc1cccc(/C=C/C(=O)N[C@@H]2CCC(=O)NC2)c1 CC(C)[*:1] O=C(/C=C/c1cccc(c1)O[*:1])N[C@@H]1CCC(=O)NC1
NC(=O)c1nc(-c2cccc(F)c2)nc2c1[nH]c(=O)n2-c1ccccc1 Fc1cccc(c1)[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2-c1ccccc1)[*:1]
NC(=O)c1nc(-c2cccc(F)c2)nc2c1[nH]c(=O)n2-c1ccccc1 c1ccc(cc1)[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2[*:1])-c1cccc(F)c1
NC(=O)c1nc(-c2cccc(F)c2)nc2c1[nH]c(=O)n2-c1ccccc1 NC(=O)[*:1] O=c1[nH]c2c(nc(nc2n1-c1ccccc1)-c1cccc(F)c1)[*:1]
CC(C)[C@@H]1CS(=O)(=O)CC[C@H](C)[NH2+]1 CC(C)[*:1] C[C@H]1CCS(=O)(=O)C[C@H]([NH2+]1)[*:1]
COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H](C(=O)[O-])C1)CC2 O=C([O-])[*:1] COc1ccc2CC[C@@H]([NH2+][C@H]3CCC[C@H](C3)[*:1])c2c1
COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1CCc2ccccc2C1
CCCNC(=O)Nc1ccc2c(c1)C(=O)CCC2 CCC[*:1] O=C(Nc1ccc2CCCC(=O)c2c1)N[*:1]
Clc1ccc2c(c1)[C@@H](c1ccccc1)NC(N1CCCC1)=[NH+]2 c1ccc(cc1)[*:1] Clc1ccc2[NH+]=C(N[C@H](c2c1)[*:1])N1CCCC1
CCOC(=O)N1CCc2nc(NC(=O)C3CCCCC3)sc2C1 C1CCC(CC1)[*:1] CCOC(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 COC(=O)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)Nc1ccccc1[*:1]
NC(=O)c1csc(CNc2cccc(O)c2)c1 NC(=O)[*:1] Oc1cccc(c1)NCc1cc(cs1)[*:1]
CC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)Cc4cccc(F)c4)ccc3n2C)cc1 CC(C)NC(=O)[*:1] Cn1c(nc2cc(ccc21)NS(=O)(=O)Cc1cccc(F)c1)-c1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)Cc4cccc(F)c4)ccc3n2C)cc1 CC(C)[*:1] Cn1c(nc2cc(ccc21)NS(=O)(=O)Cc1cccc(F)c1)-c1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)Cc4cccc(F)c4)ccc3n2C)cc1 Fc1cccc(c1)[*:1] CC(C)NC(=O)c1ccc(cc1)-c1nc2cc(ccc2n1C)NS(=O)(=O)C[*:1]
CC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)Cc4cccc(F)c4)ccc3n2C)cc1 Fc1cccc(c1)C[*:1] CC(C)NC(=O)c1ccc(cc1)-c1nc2cc(ccc2n1C)NS(=O)(=O)[*:1]
CC[C@H](CSC)N(C)C(=O)CCn1ccccc1=O CSC[*:1] CC[C@H](N(C)C(=O)CCn1ccccc1=O)[*:1]
Cc1ccn2c(NC(=O)c3ccccc3[N+](=O)[O-])c(-c3ccccc3)nc2c1 O=[N+]([O-])c1ccccc1[*:1] Cc1ccn2c(NC(=O)[*:1])c(nc2c1)-c1ccccc1
Cc1ccn2c(NC(=O)c3ccccc3[N+](=O)[O-])c(-c3ccccc3)nc2c1 c1ccc(cc1)[*:1] Cc1ccn2c(NC(=O)c3ccccc3[N+](=O)[O-])c(nc2c1)[*:1]
Cc1ccn2c(NC(=O)c3ccccc3[N+](=O)[O-])c(-c3ccccc3)nc2c1 O=[N+]([O-])[*:1] Cc1ccn2c(NC(=O)c3ccccc3[*:1])c(nc2c1)-c1ccccc1
CCc1nn2c(c1-c1cccc(Cl)c1)NC(=O)[C@H]2CC(=O)Nc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)N[*:1])c1-c1cccc(Cl)c1
CCc1nn2c(c1-c1cccc(Cl)c1)NC(=O)[C@H]2CC(=O)Nc1cc(C)ccc1C Clc1cccc(c1)[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)Nc2cc(C)ccc2C)c1[*:1]
[NH3+][C@H]1CCN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)C1 c1ccc(cc1)C[*:1] [NH3+][C@H]1CCN(C1)c1ccc(cn1)-c1nc(no1)[*:1]
[NH3+][C@H]1CCN(c2ccc(-c3nc(Cc4ccccc4)no3)cn2)C1 c1ccc(cc1)[*:1] [NH3+][C@H]1CCN(C1)c1ccc(cn1)-c1nc(C[*:1])no1
Cc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1nc(cs1)[*:1])C1CC1
Cc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 O=C(N[*:1])C1CC1 Cc1ccc(cc1)-c1csc(n1)-c1cccc(c1)[*:1]
Cc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1csc(n1)-c1cccc(c1)NC(=O)[*:1]
O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(F)c(F)c2F)C1 O=C([O-])[*:1] O=S(=O)(N[C@@H]1C=C[C@H](C1)[*:1])c1ccc(F)c(F)c1F
CSc1nc(C2CC2)cc(C(=O)NCC#Cc2ccccc2)c1C#N C(#C[*:1])c1ccccc1 CSc1nc(cc(C(=O)NC[*:1])c1C#N)C1CC1
CSc1nc(C2CC2)cc(C(=O)NCC#Cc2ccccc2)c1C#N c1ccc(cc1)[*:1] CSc1nc(cc(C(=O)NCC#C[*:1])c1C#N)C1CC1
CSc1nc(C2CC2)cc(C(=O)NCC#Cc2ccccc2)c1C#N C1CC1[*:1] CSc1nc(cc(C(=O)NCC#Cc2ccccc2)c1C#N)[*:1]
O=C(c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 Fc1ccc(cc1)[*:1] O=C(N1CCC(CC1)n1c(=O)[nH]c2ccccc21)[*:1]
CSCC[C@@H](C)NC(=O)N[C@@H]1CCC[C@@]1(C)CO CSCC[C@@H](C)[*:1] C[C@@]1(CO)CCC[C@H]1NC(=O)N[*:1]
CSCC[C@@H](C)NC(=O)N[C@@H]1CCC[C@@]1(C)CO CSC[*:1] C[C@H](C[*:1])NC(=O)N[C@@H]1CCC[C@@]1(C)CO
CSCC[C@@H](C)NC(=O)N[C@@H]1CCC[C@@]1(C)CO CSCC[*:1] C[C@@H](NC(=O)N[C@@H]1CCC[C@@]1(C)CO)[*:1]
Cc1cc(F)ccc1CCNS(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1cc(F)ccc1CCNS(=O)(=O)[*:1]
CSC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 CSC[*:1] C[C@@H](NC(=O)N(C)[C@H](C)[*:1])c1ccc(F)c(Cl)c1
Cc1ccc(C(=O)NCC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 CC(C)(C)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NC[*:1]
Cc1ccc(C(=O)NCC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 CC(C)(C)CNC(=O)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)[*:1]
Cc1ccc(C(=O)NCC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 CC(C)(C)C[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)c2c[nH]nc2-c2ccccc2F)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)C[*:1])c1c[nH]nc1-c1ccccc1F
CC(=O)N(C)Cc1cccc(NC(=O)c2c[nH]nc2-c2ccccc2F)c1 CC(=O)N(C)C[*:1] O=C(Nc1cccc(c1)[*:1])c1c[nH]nc1-c1ccccc1F
CC(=O)N(C)Cc1cccc(NC(=O)c2c[nH]nc2-c2ccccc2F)c1 Fc1ccccc1[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)c1c[nH]nc1[*:1]
COc1ccc(CCc2nc3nccc(-c4cccnc4)n3n2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)CCc1nc2nccc(n2n1)[*:1]
O=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 O=C([O-])[*:1] O=Cc1cc(Cl)c(OCc2ccc(cc2)[*:1])c(Cl)c1
O=C1NCCN(C(=O)[C@@H]2CCCO2)[C@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C1NCCN(C(=O)[C@@H]2CCCO2)[C@H]1c1ccc(cc1)[*:1]
O=C1NCCN(C(=O)[C@@H]2CCCO2)[C@H]1c1ccc(C(F)(F)F)cc1 C1CO[C@@H](C1)[*:1] O=C1NCCN(C(=O)[*:1])[C@H]1c1ccc(cc1)C(F)(F)F
N#C[C@@H]1CNCCN1C(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#C[C@@H]1CNCCN1C(=O)c1ccccc1[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N(C)[C@@H](C)C[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N(C)[C@@H](C)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)/N=c1/sccn1Cc1ccccc1Cl Clc1ccccc1C[*:1] Cc1ccc(cc1C(=O)/N=c1/sccn1[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)/N=c1/sccn1Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1ccc(cc1C(=O)/N=c1/sccn1C[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)/N=c1/sccn1Cc1ccccc1Cl CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)/N=c1/sccn1Cc1ccccc1Cl)[*:1]
Cc1cc(C)c2c(-n3cccc3)c(NC(=O)OC(C)C)sc2n1 CC(C)[*:1] Cc1cc(C)c2c(c(NC(=O)O[*:1])sc2n1)-n1cccc1
Cc1cc(C)c2c(-n3cccc3)c(NC(=O)OC(C)C)sc2n1 c1ccn(c1)[*:1] Cc1cc(C)c2c(c(NC(=O)OC(C)C)sc2n1)[*:1]
Cc1cc(C)c2c(-n3cccc3)c(NC(=O)OC(C)C)sc2n1 CC(C)OC(=O)N[*:1] Cc1cc(C)c2c(c(sc2n1)[*:1])-n1cccc1
O=C(CCCn1ccnn1)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1cn(CC[*:1])nn1 O=C(C[*:1])Nc1nc2CC[NH+](Cc3ccccc3)Cc2s1
O=C(CCCn1ccnn1)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1cn(C[*:1])nn1 O=C(CC[*:1])Nc1nc2CC[NH+](Cc3ccccc3)Cc2s1
O=C(CCCn1ccnn1)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1ccc(cc1)C[*:1] O=C(CCCn1ccnn1)Nc1nc2CC[NH+](Cc2s1)[*:1]
O=C(CCCn1ccnn1)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1ccc(cc1)[*:1] O=C(CCCn1ccnn1)Nc1nc2CC[NH+](Cc2s1)C[*:1]
O=C(CCCn1ccnn1)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1cn(CCC[*:1])nn1 O=C(Nc1nc2CC[NH+](Cc3ccccc3)Cc2s1)[*:1]
O=C(CCCn1ccnn1)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1cn(nn1)[*:1] O=C(CCC[*:1])Nc1nc2CC[NH+](Cc3ccccc3)Cc2s1
Cc1cc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)n1-c1nccs1 c1csc(n1)[*:1] Cc1cc(C(=O)Cn2c(nc3ccccc32)C(F)(F)F)c(C)n1[*:1]
Cc1cc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)n1-c1nccs1 FC(F)(F)[*:1] Cc1cc(C(=O)Cn2c(nc3ccccc32)[*:1])c(C)n1-c1nccs1
COc1cccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(N)=O)c1 Clc1ccc(Cl)c(c1)C[*:1] COc1cccc(c1)N1C(=O)[C@@H](S/C1=C(/C#N)C(N)=O)[*:1]
COc1cccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(N)=O)c1 Clc1ccc(Cl)c(c1)[*:1] COc1cccc(c1)N1C(=O)[C@@H](C[*:1])S/C1=C(/C#N)C(N)=O
COc1cccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(N)=O)c1 COc1cccc(c1)[*:1] N#C/C(C(N)=O)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1[*:1]
COc1cccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(N)=O)c1 NC(=O)[*:1] COc1cccc(c1)N1C(=O)[C@@H](Cc2cc(Cl)ccc2Cl)SC1=C(C#N)[*:1]
CC(C)=CC(=O)N1C[C@H](C(C)C)[C@@H]([NH+](C)C)C1 CC(C)=C[*:1] CC(C)[C@H]1CN(C[C@@H]1[NH+](C)C)C(=O)[*:1]
CC(C)=CC(=O)N1C[C@H](C(C)C)[C@@H]([NH+](C)C)C1 CC(C)[*:1] CC(C)=CC(=O)N1C[C@H]([C@H](C1)[NH+](C)C)[*:1]
N#Cc1c(-c2ccc(F)cc2F)nn(-c2cc(F)ccc2F)c1N Fc1ccc(F)c(c1)[*:1] N#Cc1c(nn(c1N)[*:1])-c1ccc(F)cc1F
N#Cc1c(-c2ccc(F)cc2F)nn(-c2cc(F)ccc2F)c1N Fc1ccc(c(F)c1)[*:1] N#Cc1c(nn(-c2cc(F)ccc2F)c1N)[*:1]
COc1cccc(F)c1OS(=O)(=O)CC1CCC1 C1CC(C1)[*:1] COc1cccc(F)c1OS(=O)(=O)C[*:1]
COc1cccc(F)c1OS(=O)(=O)CC1CCC1 C1CC(C1)C[*:1] COc1cccc(F)c1OS(=O)(=O)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)COn2nnc3ccccc32)cc1 CCN(CC)C(=O)[*:1] O=C(COn1nnc2ccccc21)Nc1ccc(cc1)[*:1]
Cc1cc(=O)c(C(=O)O[C@@H](C)[C@@H]2CCOC2)nn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)O[C@@H](C)[C@@H]1CCOC1
CC(C)(C)C1CCC(C(=O)Nc2nc(CC(N)=O)cs2)CC1 CC(C)(C)[*:1] NC(=O)Cc1csc(n1)NC(=O)C1CCC(CC1)[*:1]
CC(C)(C)C1CCC(C(=O)Nc2nc(CC(N)=O)cs2)CC1 NC(=O)[*:1] CC(C)(C)C1CCC(CC1)C(=O)Nc1nc(cs1)C[*:1]
CC(C)(C)C1CCC(C(=O)Nc2nc(CC(N)=O)cs2)CC1 NC(=O)C[*:1] CC(C)(C)C1CCC(CC1)C(=O)Nc1nc(cs1)[*:1]
C=CCn1c(SC)nc2ccccc2c1=O C=CC[*:1] CSc1nc2ccccc2c(=O)n1[*:1]
CC(C)(C)N1C[C@@H](NC(=O)c2c[nH]c3nccc(Cl)c23)CC1=O CC(C)(C)[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])c1c[nH]c2nccc(Cl)c12
[NH3+]C[C@@H](C[C@H]1Cc2cc(F)ccc2O1)c1cccc(F)c1 Fc1cccc(c1)[*:1] [NH3+]C[C@@H](C[C@H]1Cc2cc(F)ccc2O1)[*:1]
C[NH2+][C@@H]1CC[C@@H](OCCOC(C)C)C1 CC(C)[*:1] C[NH2+][C@@H]1CC[C@H](C1)OCCO[*:1]
C[NH2+][C@@H]1CC[C@@H](OCCOC(C)C)C1 CC(C)O[*:1] C[NH2+][C@@H]1CC[C@H](C1)OCC[*:1]
Cc1cc(NC(=O)CSCc2ccncc2)n(CCC#N)n1 N#CC[*:1] Cc1cc(NC(=O)CSCc2ccncc2)n(C[*:1])n1
Cc1cc(NC(=O)CSCc2ccncc2)n(CCC#N)n1 c1cc(ccn1)[*:1] Cc1cc(NC(=O)CSC[*:1])n(CCC#N)n1
Cc1cc(NC(=O)CSCc2ccncc2)n(CCC#N)n1 N#CCC[*:1] Cc1cc(NC(=O)CSCc2ccncc2)n(n1)[*:1]
Cc1cc(NC(=O)CSCc2ccncc2)n(CCC#N)n1 c1cc(ccn1)C[*:1] Cc1cc(NC(=O)CS[*:1])n(CCC#N)n1
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc(=O)c2cc(Cl)ccc2o1 O=S(=O)(N1CCCCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(=O)c2cc(Cl)ccc2o1
C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1NC(=O)[*:1]
C[C@H](Oc1ccc(/C=N/c2ccc(Cl)cc2Cl)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](Oc1ccc(/C=N/c2ccc(Cl)cc2Cl)cc1)[*:1]
Cc1cc(C(=O)N2CC(C(=O)Nc3ccc(Br)cc3F)C2)no1 Cc1cc(no1)[*:1] O=C(Nc1ccc(Br)cc1F)C1CN(C1)C(=O)[*:1]
COC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)NC(=O)c1ccc(o1)-c1ccc(cc1[*:1])OC
COC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 COC(=O)[*:1] COc1ccc(-c2ccc(o2)C(=O)Nc2ccc(cc2)[*:1])c(c1)[N+](=O)[O-]
O=C(NCCCc1nnc2ccccn12)Nc1cnc(C2CC2)nc1 C1CC1[*:1] O=C(NCCCc1nnc2ccccn12)Nc1cnc(nc1)[*:1]
COc1cccc(NC(=S)C(C#N)=C2N(C)c3ccccc3N2C)c1 COc1cccc(c1)[*:1] CN1C(=C(C#N)C(=S)N[*:1])N(C)c2ccccc21
CCCNC(=O)CN(C)C(=O)c1ccncc1C#CCO CCCNC(=O)C[*:1] CN(C(=O)c1ccncc1C#CCO)[*:1]
CCCNC(=O)CN(C)C(=O)c1ccncc1C#CCO CCCNC(=O)[*:1] CN(C[*:1])C(=O)c1ccncc1C#CCO
CCCNC(=O)CN(C)C(=O)c1ccncc1C#CCO OCC#C[*:1] CCCNC(=O)CN(C)C(=O)c1ccncc1[*:1]
CCCNC(=O)CN(C)C(=O)c1ccncc1C#CCO CCC[*:1] CN(CC(=O)N[*:1])C(=O)c1ccncc1C#CCO
C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCc2cc(N)ccc21 Clc1cccc(c1)[*:1] C[C@H](C[*:1])[NH2+][C@@H]1CCc2cc(N)ccc21
C[C@H](O)CCNc1nc2ccc(N)cc2o1 C[C@H](O)[*:1] Nc1ccc2nc(NCC[*:1])oc2c1
C[C@H](O)CCNc1nc2ccc(N)cc2o1 C[C@H](O)C[*:1] Nc1ccc2nc(NC[*:1])oc2c1
C[C@H](O)CCNc1nc2ccc(N)cc2o1 C[C@H](O)CC[*:1] Nc1ccc2nc(N[*:1])oc2c1
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cccc(Oc4ccccc4)c3)C2=O)c1 c1ccc(cc1)O[*:1] COc1cccc(c1)[C@@]1(C)NC(=O)N(NC(=O)c2cccc(c2)[*:1])C1=O
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cccc(Oc4ccccc4)c3)C2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@]1(C)NC(=O)N(NC(=O)c2cccc(c2)O[*:1])C1=O
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cccc(Oc4ccccc4)c3)C2=O)c1 COc1cccc(c1)[*:1] C[C@]1(NC(=O)N(NC(=O)c2cccc(c2)Oc2ccccc2)C1=O)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](N2CCC(C#N)CC2)C1 CS(=O)(=O)[*:1] N#CC1CCN(CC1)[C@H]1CCC[C@@H](C1)[*:1]
COCC[NH+]1CCCN(C(=O)c2ccccc2)CC1 COCC[*:1] O=C(c1ccccc1)N1CCC[NH+](CC1)[*:1]
COCC[NH+]1CCCN(C(=O)c2ccccc2)CC1 COC[*:1] O=C(c1ccccc1)N1CCC[NH+](CC1)C[*:1]
COCC[NH+]1CCCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] COCC[NH+]1CCCN(CC1)C(=O)[*:1]
C=CCOc1ccccc1[C@@]1(C)Nc2ccccc2C(=O)N1C(C)C C=CC[*:1] CC(C)N1C(=O)c2ccccc2N[C@]1(C)c1ccccc1O[*:1]
C=CCOc1ccccc1[C@@]1(C)Nc2ccccc2C(=O)N1C(C)C C=CCO[*:1] CC(C)N1C(=O)c2ccccc2N[C@]1(C)c1ccccc1[*:1]
C=CCOc1ccccc1[C@@]1(C)Nc2ccccc2C(=O)N1C(C)C CC(C)[*:1] C=CCOc1ccccc1[C@@]1(C)Nc2ccccc2C(=O)N1[*:1]
COc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 COc1cccc(c1)[*:1] C[C@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)N[*:1]
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)ccc21 c1cc2OCOc2cc1[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)ccc21 Cn1c(=O)oc2cc(ccc21)[*:1] O=C(NCc1ccc2OCOc2c1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)ccc21 c1cc2OCOc2cc1C[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)C[C@@H]1C(=O)OCCN1Cc1ccccc1
Cc1ccc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)C[C@@H]1C(=O)OCCN1C[*:1]
Cc1ccc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)C[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)C[C@@H]1C(=O)OCCN1[*:1]
CC[C@H](C)NC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)CC1 CC[C@H](C)NC(=O)[*:1] Cc1cc(N2CCC(CC2)[*:1])n2nc(C)c(-c3ccc(Cl)cc3)c2n1
CC[C@H](C)NC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)CC1 Clc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)C1CCN(CC1)c1cc(C)nc2c(c(C)nn12)[*:1]
O=C(CN1C(=O)CCOc2ccccc21)NCCc1ccccn1 c1ccc(CC[*:1])nc1 O=C(CN1C(=O)CCOc2ccccc21)N[*:1]
O=C(CN1C(=O)CCOc2ccccc21)NCCc1ccccn1 c1ccc(C[*:1])nc1 O=C(CN1C(=O)CCOc2ccccc21)NC[*:1]
O=C(CN1C(=O)CCOc2ccccc21)NCCc1ccccn1 c1ccc(nc1)[*:1] O=C(CN1C(=O)CCOc2ccccc21)NCC[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 CS(=O)(=O)[*:1] c1cnn(c1)-c1ccc(cc1)C[NH2+][C@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 c1cnn(c1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
O=C(OCC(=O)N1CCCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 O=C(N1CCCCCC1)[*:1] O=C(OC[*:1])c1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(OCC(=O)N1CCCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(OCC(=O)N1CCCCCC1)c1ccc(cc1)[*:1]
Cc1ccc(-c2nc3sc4c(c3c3nnnn23)CCCC4)cc1 Cc1ccc(cc1)[*:1] C1CCc2c(C1)sc1nc(n3nnnc3c21)[*:1]
COc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 COc1ccccc1[*:1] O=C(N[*:1])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1
COc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
CC[C@@H](C)OC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12 COc1ccc(cc1)C[*:1] CC[C@@H](C)OC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
CC[C@@H](C)OC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12 COc1ccc(cc1)[*:1] CC[C@@H](C)OC(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
C[C@H](CC(=O)N(C)C1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] CN(C(=O)C[*:1])C1CCN(CC1)c1ccc(F)cc1
C[C@H](CC(=O)N(C)C1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CC(=O)N(C)C1CCN(CC1)c1ccc(F)cc1)[*:1]
C[C@H](CC(=O)N(C)C1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CC(=O)N(C)C1CCN(CC1)[*:1])c1ccc(F)cc1
COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)C[C@]1(O)C(=O)Nc2ccccc21
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(C)cc2F)c1 CCN(CC)S(=O)(=O)[*:1] Cc1ccc(NC(=O)c2cc(ccc2N2CCCC2)[*:1])c(F)c1
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(C)cc2F)c1 C1CCN(C1)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)Nc1ccc(C)cc1F)[*:1]
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(C)cc2F)c1 Cc1ccc(c(F)c1)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)N[*:1])N1CCCC1
Cc1nc(-c2ccc(NC(=O)[C@@H]3C=C[C@H]([NH3+])C3)cc2)co1 Cc1nc(co1)[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 CCO[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)N1C(=O)CS[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)N1C(=O)CS[C@@H]1[*:1]
CCOc1ccc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1SCC(=O)N1c1c(C)n(C)n(c1=O)[*:1]
CCOC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 CCOC(=O)N[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)c1 CCOC(=O)[*:1] O=C([C@H]1CCCO1)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)c1 C1CO[C@H](C1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)[*:1]
CN1CC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 C1CC1[*:1] CN1CC[C@H]([NH3+])[C@@H]1c1cncn1[*:1]
C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)[C@H](O)c1ccc(F)c(F)c1 C1CC1[*:1] C[C@H]([NH2+][C@H]1C[C@@H](C)N(C1)[*:1])[C@H](O)c1ccc(F)c(F)c1
C[C@@H](NCc1nc(C2CC2)cs1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H](NCc1nc(cs1)C1CC1)c1ccc(cc1)[*:1]
C[C@@H](NCc1nc(C2CC2)cs1)c1ccc([N+](=O)[O-])cc1 C1CC1[*:1] C[C@@H](NCc1nc(cs1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC1(C)C[C@@](O)(CC[C@@H]2CCCO2)C(C)(C)O1 C1CO[C@@H](C1)[*:1] CC1(C)C[C@@](O)(CC[*:1])C(C)(C)O1
O=C(C1CCCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 C1CCC(C1)[*:1] O=C(N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)[*:1]
O=C(C1CCCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(C1CCCC1)N1CCN(CC1)C(c1ccc(F)cc1)[*:1]
O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1c[nH]nc1-c1cccc(F)c1 FC(F)(F)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])c1c[nH]nc1-c1cccc(F)c1
O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1c[nH]nc1-c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1c[nH]nc1[*:1]
O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1c[nH]nc1-c1cccc(F)c1 c1ccc(nc1)[*:1] O=C(N[C@@H](C(F)(F)F)[*:1])c1c[nH]nc1-c1cccc(F)c1
CN(Cc1ccc(Br)s1)C(=O)c1cccc(NC(=O)C2CC2)c1 Brc1ccc(s1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)NC(=O)C1CC1
CN(Cc1ccc(Br)s1)C(=O)c1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 CN(Cc1ccc(Br)s1)C(=O)c1cccc(c1)[*:1]
CN(Cc1ccc(Br)s1)C(=O)c1cccc(NC(=O)C2CC2)c1 Brc1ccc(C[*:1])s1 CN(C(=O)c1cccc(c1)NC(=O)C1CC1)[*:1]
CN(Cc1ccc(Br)s1)C(=O)c1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] CN(Cc1ccc(Br)s1)C(=O)c1cccc(c1)NC(=O)[*:1]
Cc1c(NC(=O)CNc2ccccc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)N[*:1] Cc1c(NC(=O)C[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)CNc2ccccc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)CNc2ccccc2)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)CNc2ccccc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)CN[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)CNc2ccccc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)NC[*:1] Cc1c(NC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1noc(C)c1CCCNS(=O)(=O)c1cccc2ncccc12 Cc1noc(C)c1C[*:1] O=S(=O)(NCC[*:1])c1cccc2ncccc12
Cc1noc(C)c1CCCNS(=O)(=O)c1cccc2ncccc12 Cc1noc(C)c1[*:1] O=S(=O)(NCCC[*:1])c1cccc2ncccc12
Nc1nc(CN2CCN(C(=O)c3ccco3)CC2)nc(N2CCCCC2)n1 C1CCN(CC1)[*:1] Nc1nc(CN2CCN(CC2)C(=O)c2ccco2)nc(n1)[*:1]
Nc1nc(CN2CCN(C(=O)c3ccco3)CC2)nc(N2CCCCC2)n1 c1coc(c1)[*:1] Nc1nc(CN2CCN(CC2)C(=O)[*:1])nc(n1)N1CCCCC1
Cc1[nH+]cn(C[C@@H](C)[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)c1C c1ccc(nc1)[*:1] Cc1[nH+]cn(C[C@@H](C)[NH2+][C@@H](c2cccc(F)c2)[*:1])c1C
Cc1[nH+]cn(C[C@@H](C)[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)c1C Fc1cccc(c1)[*:1] Cc1[nH+]cn(C[C@@H](C)[NH2+][C@@H](c2ccccn2)[*:1])c1C
Cc1cc(C)c2sc(N3CCN(C(=O)c4cc(C)on4)CC3)nc2c1 Cc1cc(no1)[*:1] Cc1cc(C)c2sc(nc2c1)N1CCN(CC1)C(=O)[*:1]
COc1ccc2c(c1)=C1CCN[C@H]([C@@H]3C(=O)N(CC(C)C)C(=O)N(CC(C)C)[C@H]3O)[C@H]1[NH+]=2 CC(C)C[*:1] COc1ccc2=[NH+][C@H]3C(CCN[C@@H]3[C@@H]3C(=O)N(C(=O)N(CC(C)C)[C@H]3O)[*:1])=c2c1
COc1ccc2c(c1)=C1CCN[C@H]([C@@H]3C(=O)N(CC(C)C)C(=O)N(CC(C)C)[C@H]3O)[C@H]1[NH+]=2 CC(C)C[*:1] COc1ccc2=[NH+][C@H]3C(CCN[C@@H]3[C@@H]3C(=O)N(CC(C)C)C(=O)N([C@H]3O)[*:1])=c2c1
COc1ccc2c(c1)=C1CCN[C@H]([C@@H]3C(=O)N(CC(C)C)C(=O)N(CC(C)C)[C@H]3O)[C@H]1[NH+]=2 CC(C)[*:1] COc1ccc2=[NH+][C@H]3C(CCN[C@@H]3[C@@H]3C(=O)N(CC(C)C)C(=O)N(C[*:1])[C@H]3O)=c2c1
COc1ccc2c(c1)=C1CCN[C@H]([C@@H]3C(=O)N(CC(C)C)C(=O)N(CC(C)C)[C@H]3O)[C@H]1[NH+]=2 CC(C)[*:1] COc1ccc2=[NH+][C@H]3C(CCN[C@@H]3[C@@H]3C(=O)N(C[*:1])C(=O)N(CC(C)C)[C@H]3O)=c2c1
CC(C)N[C@]1(C#N)CC[C@H](n2cc[nH+]c2)C1 CC(C)[*:1] N#C[C@]1(CC[C@@H](C1)n1cc[nH+]c1)N[*:1]
CC(C)N[C@]1(C#N)CC[C@H](n2cc[nH+]c2)C1 CC(C)N[*:1] N#C[C@@]1(CC[C@@H](C1)n1cc[nH+]c1)[*:1]
O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1F Fc1ccccc1C[*:1] O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)N[*:1]
O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1F Clc1ccc(cc1)[*:1] O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)[*:1])NCc1ccccc1F
O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1F Fc1ccccc1[*:1] O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1)NC[*:1]
COc1ccc(NC(=O)CCc2nc(C)no2)cc1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1C[*:1])NC(=O)CCc1nc(C)no1
COc1ccc(NC(=O)CCc2nc(C)no2)cc1Cc1ccccc1 Cc1noc(CC[*:1])n1 COc1ccc(cc1Cc1ccccc1)NC(=O)[*:1]
COc1ccc(NC(=O)CCc2nc(C)no2)cc1Cc1ccccc1 Cc1noc(C[*:1])n1 COc1ccc(cc1Cc1ccccc1)NC(=O)C[*:1]
COc1ccc(NC(=O)CCc2nc(C)no2)cc1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1[*:1])NC(=O)CCc1nc(C)no1
COc1ccc(NC(=O)CCc2nc(C)no2)cc1Cc1ccccc1 Cc1noc(n1)[*:1] COc1ccc(cc1Cc1ccccc1)NC(=O)CC[*:1]
COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 COC(=O)[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[C@H]1C[C@@H]1[*:1]
COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1
CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)[C@H]2CCCO2)cc1 CC(C)(C)OC(=O)N[*:1] O=C(NCCc1ccc(cc1)[*:1])[C@H]1CCCO1
CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)[C@H]2CCCO2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)CCNC(=O)[C@H]1CCCO1)O[*:1]
O=C(CN1CCN(C(=O)Nc2ccc(F)cc2)CC1)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)N[*:1])N1CCCC1
O=C(CN1CCN(C(=O)Nc2ccc(F)cc2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(Nc1ccc(F)cc1)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)Nc2ccc(F)cc2)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(Nc1ccc(F)cc1)N1CCN(CC1)[*:1]
CCOC(=O)C1=C(C)N(C)C(=S)N(C)[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CCOC(=O)C1=C(C)N(C)C(=S)N(C)[C@H]1c1ccccc1[*:1]
CCOC(=O)C1=C(C)N(C)C(=S)N(C)[C@H]1c1ccccc1C(F)(F)F CCOC(=O)[*:1] CC1=C([C@H](c2ccccc2C(F)(F)F)N(C)C(=S)N1C)[*:1]
COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@](C)(O)CSC CSC[*:1] COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@](C)(O)[*:1]
Cc1cccc(NC(=O)C2CCN(C(=O)c3cnc(-c4ccncc4)nc3[O-])CC2)c1 Cc1cccc(c1)NC(=O)[*:1] O=C(c1cnc(nc1[O-])-c1ccncc1)N1CCC(CC1)[*:1]
Cc1cccc(NC(=O)C2CCN(C(=O)c3cnc(-c4ccncc4)nc3[O-])CC2)c1 c1cc(ccn1)[*:1] Cc1cccc(c1)NC(=O)C1CCN(CC1)C(=O)c1cnc(nc1[O-])[*:1]
Cc1cccc(NC(=O)C2CCN(C(=O)c3cnc(-c4ccncc4)nc3[O-])CC2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cnc(nc1[O-])-c1ccncc1
COCCSc1ccc([C@@H](C)Nc2nccnc2C#N)cc1 COCCS[*:1] C[C@@H](Nc1nccnc1C#N)c1ccc(cc1)[*:1]
COCCSc1ccc([C@@H](C)Nc2nccnc2C#N)cc1 COC[*:1] C[C@@H](Nc1nccnc1C#N)c1ccc(cc1)SC[*:1]
COCCSc1ccc([C@@H](C)Nc2nccnc2C#N)cc1 COCC[*:1] C[C@@H](Nc1nccnc1C#N)c1ccc(cc1)S[*:1]
COc1cccc(/C=N\Nc2nn3cnnc3c3ccccc23)c1 COc1cccc(c1)[*:1] C(=NNc1nn2cnnc2c2ccccc12)[*:1]
O=[N+]([O-])c1ccccc1CSc1nc(COc2ccc(Cl)cc2)n[nH]1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1CSc1nc(CO[*:1])n[nH]1
O=[N+]([O-])c1ccccc1CSc1nc(COc2ccc(Cl)cc2)n[nH]1 Clc1ccc(cc1)O[*:1] O=[N+]([O-])c1ccccc1CSc1nc(C[*:1])n[nH]1
O=[N+]([O-])c1ccccc1CSc1nc(COc2ccc(Cl)cc2)n[nH]1 O=[N+]([O-])[*:1] Clc1ccc(cc1)OCc1n[nH]c(n1)SCc1ccccc1[*:1]
C[C@H]1SCCC[C@H]1Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@H]1SCCC[C@H]1Nc1ccc(cc1)[*:1]
COc1ccccc1CNC(=O)c1cn[nH]c1-c1cccs1 c1csc(c1)[*:1] COc1ccccc1CNC(=O)c1cn[nH]c1[*:1]
O=C(Nc1cccc(N2CCCC2=O)c1)C(=O)NC1CCCCC1 O=C1CCCN1[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)NC1CCCCC1
O=C(Nc1cccc(N2CCCC2=O)c1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1cccc(c1)N1CCCC1=O)C(=O)N[*:1]
C[C@H](OC(=O)c1nccnc1N)C(=O)Nc1ccc(C#N)cc1 Nc1nccnc1[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1ccc(C#N)cc1
Nc1ccc2c(n1)NC(=O)C[C@H]2c1cnn(-c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Nc1ccc2c(n1)NC(=O)C[C@H]2c1cnn(c1)[*:1]
C[C@H](CN1CCOCC1)NC(=O)N(C)C[C@@H]1COc2ccccc2O1 C1CN(CCO1)[*:1] C[C@H](C[*:1])NC(=O)N(C)C[C@@H]1COc2ccccc2O1
C[C@H](CN1CCOCC1)NC(=O)N(C)C[C@@H]1COc2ccccc2O1 C1CN(CCO1)C[*:1] C[C@H](NC(=O)N(C)C[C@@H]1COc2ccccc2O1)[*:1]
CC1(C)C(C[NH2+]C[C@H](O)CN2CCOCC2)C1(C)C C1CN(CCO1)[*:1] CC1(C)C(C[NH2+]C[C@H](O)C[*:1])C1(C)C
COc1ccc2c(c1)[C@@H](N)[C@H](S(=O)(=O)C1CCCCC1)C2 C1CCC(CC1)[*:1] COc1ccc2C[C@H]([C@H](N)c2c1)S(=O)(=O)[*:1]
COC(=O)c1cccc(-c2nc3cc(C#N)ccc3[nH]2)n1 COC(=O)[*:1] N#Cc1ccc2[nH]c(nc2c1)-c1cccc(n1)[*:1]
Cc1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)c(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)c(c1)O[*:1]
Cc1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)c(OC(C)(C)C)c1 C[C@H](S(C)(=O)=O)[*:1] Cc1ccc(CNC(=O)[*:1])c(c1)OC(C)(C)C
Cc1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)c(OC(C)(C)C)c1 CS(=O)(=O)[*:1] Cc1ccc(CNC(=O)[C@H](C)[*:1])c(c1)OC(C)(C)C
Cc1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)c(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)c(c1)[*:1]
Cc1ccc(Oc2ncnc(-n3ccnc3)c2[N+](=O)[O-])cc1C c1cn(cn1)[*:1] Cc1ccc(cc1C)Oc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1ccc(Oc2ncnc(-n3ccnc3)c2[N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)Oc1ncnc(c1[*:1])-n1ccnc1
COc1ccc2nc(/N=C(/N)NCc3ccccc3)nc(C)c2c1 c1ccc(cc1)C[*:1] COc1ccc2nc(/N=C(/N)N[*:1])nc(C)c2c1
COc1ccc2nc(/N=C(/N)NCc3ccccc3)nc(C)c2c1 c1ccc(cc1)[*:1] COc1ccc2nc(/N=C(/N)NC[*:1])nc(C)c2c1
COc1ccc(CCNC(=O)N2CCC(CSc3nccn3C)CC2)cc1 COc1ccc(cc1)C[*:1] Cn1ccnc1SCC1CCN(CC1)C(=O)NC[*:1]
COc1ccc(CCNC(=O)N2CCC(CSc3nccn3C)CC2)cc1 COc1ccc(cc1)[*:1] Cn1ccnc1SCC1CCN(CC1)C(=O)NCC[*:1]
COc1ccc(CCNC(=O)N2CCC(CSc3nccn3C)CC2)cc1 Cn1ccnc1[*:1] COc1ccc(cc1)CCNC(=O)N1CCC(CC1)CS[*:1]
COc1ccc(CCNC(=O)N2CCC(CSc3nccn3C)CC2)cc1 Cn1ccnc1SC[*:1] COc1ccc(cc1)CCNC(=O)N1CCC(CC1)[*:1]
COc1ccc(CCNC(=O)N2CCC(CSc3nccn3C)CC2)cc1 Cn1ccnc1S[*:1] COc1ccc(cc1)CCNC(=O)N1CCC(CC1)C[*:1]
CNC(=O)c1ccc(N2CCN(Cc3cc(=O)n4ccsc4[nH+]3)CC2)c([N+](=O)[O-])c1 CNC(=O)[*:1] O=c1cc(CN2CCN(CC2)c2ccc(cc2[N+](=O)[O-])[*:1])[nH+]c2sccn12
CNC(=O)c1ccc(N2CCN(Cc3cc(=O)n4ccsc4[nH+]3)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(c(c1)[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2[nH+]1
O[C@@H](c1ccc(Br)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](c1ccc(Br)cc1)[C@@H](C[NH+]1CCOCC1)[*:1]
O[C@@H](c1ccc(Br)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 Brc1ccc(cc1)[*:1] O[C@@H]([C@@H](C[NH+]1CCOCC1)c1ccccc1)[*:1]
Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]CC1CC1 C1CC1C[*:1] Cc1nc(ncc1[C@@H](C)[NH2+][*:1])-c1ccncc1
Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]CC1CC1 c1cc(ccn1)[*:1] Cc1nc(ncc1[C@@H](C)[NH2+]CC1CC1)[*:1]
Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]CC1CC1 C1CC1[*:1] Cc1nc(ncc1[C@@H](C)[NH2+]C[*:1])-c1ccncc1
Cc1noc(C)c1C[C@H](C)C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C CC(C)[*:1] Cc1noc(C)c1C[C@H](C)C(=O)N[C@H](C(=O)N1CCOCC1)[*:1]
Cc1noc(C)c1C[C@H](C)C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C Cc1noc(C)c1[*:1] CC(C)[C@H](NC(=O)[C@@H](C)C[*:1])C(=O)N1CCOCC1
Cc1noc(C)c1C[C@H](C)C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C Cc1noc(C)c1C[*:1] CC(C)[C@H](NC(=O)[C@@H](C)[*:1])C(=O)N1CCOCC1
Cc1noc(C)c1C[C@H](C)C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C O=C(N1CCOCC1)[*:1] Cc1noc(C)c1C[C@H](C)C(=O)N[C@H](C(C)C)[*:1]
COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1cccc(Cl)c1C Cc1noc(C)c1[*:1] COc1ccc(cc1S(=O)(=O)Nc1cccc(Cl)c1C)[*:1]
COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1cccc(Cl)c1C Cc1c(Cl)cccc1[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])-c1c(C)noc1C
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)C[NH3+] c1ccc(cc1)[*:1] CN(CC1CCN(CC1)C(=O)OC[*:1])C(=O)C[NH3+]
CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)C[NH3+] c1ccc(cc1)C[*:1] CN(CC1CCN(CC1)C(=O)O[*:1])C(=O)C[NH3+]
Cc1ccc(NC(=O)/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)S/C(=C/C(=O)N[*:1])C1=O
Cc1ccc(NC(=O)/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)/C=C1/SC(=O)N(CC(=O)N[*:1])C1=O
COC[C@@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)C1 COC[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N1CCC[C@H](C1)[*:1]
Cc1cc(C)c(NC(=O)CSc2nnc(CCc3nc4ccccc4s3)o2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CSc1nnc(CCc2nc3ccccc3s2)o1)N[*:1]
Cc1cc(C)c(NC(=O)CSc2nnc(CCc3nc4ccccc4s3)o2)c(C)c1 c1ccc2sc(nc2c1)[*:1] Cc1cc(C)c(NC(=O)CSc2nnc(CC[*:1])o2)c(C)c1
Cc1cc(C)c(NC(=O)CSc2nnc(CCc3nc4ccccc4s3)o2)c(C)c1 c1ccc2sc(C[*:1])nc2c1 Cc1cc(C)c(NC(=O)CSc2nnc(C[*:1])o2)c(C)c1
CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCC[C@@H](C)C1 c1ccc(cc1)[*:1] CCn1c(C[*:1])nnc1SCC(=O)N1CCC[C@@H](C)C1
CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCC[C@@H](C)C1 c1ccc(cc1)C[*:1] CCn1c(nnc1[*:1])SCC(=O)N1CCC[C@@H](C)C1
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CNC(=O)Nc2ccc(C#N)cc2)c(OC[C@@H]2CCOC2)c1 N#Cc1ccc(cc1)[*:1] Cc1ccc(CNC(=O)N[*:1])c(c1)OC[C@@H]1CCOC1
CCOc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)ccc1OC c1csc(n1)[*:1] CCOc1cc(ccc1OC)C(=O)Nc1ccc(cc1)[*:1]
CCOc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc(cc1)-c1nccs1
NC(=O)c1cc(S(=O)(=O)NC2CCCC2)ccc1Cl C1CCC(C1)[*:1] NC(=O)c1cc(ccc1Cl)S(=O)(=O)N[*:1]
NC(=O)c1cc(S(=O)(=O)NC2CCCC2)ccc1Cl NC(=O)[*:1] O=S(=O)(NC1CCCC1)c1ccc(Cl)c(c1)[*:1]
C=CCOc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])C(=O)N[C@@H]1C[C@@H]1C
C=CCOc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])C(=O)N[C@@H]1C[C@@H]1C
CCCC(=O)Nc1cccc(NC(=O)NC2CC2)c1 CCCC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])NC1CC1
CCCC(=O)Nc1cccc(NC(=O)NC2CC2)c1 C1CC1[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)N[*:1]
CCCC(=O)Nc1cccc(NC(=O)NC2CC2)c1 CCC[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])NC1CC1
CCn1c(C[C@@H]([NH3+])CSC(C)(C)C)nc2ccccc21 CC(C)(C)S[*:1] CCn1c(C[C@@H]([NH3+])C[*:1])nc2ccccc21
CCn1c(C[C@@H]([NH3+])CSC(C)(C)C)nc2ccccc21 CC(C)(C)SC[*:1] CCn1c(C[C@@H]([NH3+])[*:1])nc2ccccc21
CCn1c(C[C@@H]([NH3+])CSC(C)(C)C)nc2ccccc21 CC(C)(C)[*:1] CCn1c(C[C@@H]([NH3+])CS[*:1])nc2ccccc21
CCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C)cs2)cc1 CCO[*:1] C[C@H]1CCCN1C(=O)c1csc(n1)-c1ccc(cc1)[*:1]
C[C@@H](O)[C@@H](C)SCCCC(=O)NC(N)=O C[C@@H](O)[*:1] C[C@@H](SCCCC(=O)NC(N)=O)[*:1]
Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3F)CC2=O)cc1F Cc1ccc(cc1F)[*:1] O=C(NCc1ccccc1F)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3F)CC2=O)cc1F Fc1ccccc1[*:1] Cc1ccc(cc1F)N1C[C@@H](CC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3F)CC2=O)cc1F Fc1ccccc1C[*:1] Cc1ccc(cc1F)N1C[C@@H](CC1=O)C(=O)N[*:1]
COc1cc(CNC(=O)Nc2ccc(C)s2)cc(OC)c1O Cc1ccc(s1)[*:1] COc1cc(cc(OC)c1O)CNC(=O)N[*:1]
O=S(=O)(CCn1ccnc1)Oc1ccccc1 c1cn(cn1)[*:1] O=S(=O)(CC[*:1])Oc1ccccc1
Cn1nc2c(cc1=O)CN(C(=O)NCCCc1cccc(F)c1)CC2 Fc1cccc(c1)C[*:1] Cn1nc2CCN(Cc2cc1=O)C(=O)NCC[*:1]
Cn1nc2c(cc1=O)CN(C(=O)NCCCc1cccc(F)c1)CC2 Fc1cccc(c1)[*:1] Cn1nc2CCN(Cc2cc1=O)C(=O)NCCC[*:1]
CC(C)[C@H](CS)CN1C[C@H](C)O[C@@H](C)C1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)C[C@@H](CS)[*:1]
CCN(Cc1ccccn1)C(=O)C1(c2ccc(F)cc2)CCOCC1 c1ccc(C[*:1])nc1 CCN(C(=O)C1(CCOCC1)c1ccc(F)cc1)[*:1]
CCN(Cc1ccccn1)C(=O)C1(c2ccc(F)cc2)CCOCC1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)C1(CCOCC1)c1ccc(F)cc1
CCN(Cc1ccccn1)C(=O)C1(c2ccc(F)cc2)CCOCC1 Fc1ccc(cc1)[*:1] CCN(Cc1ccccn1)C(=O)C1(CCOCC1)[*:1]
CCN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O O=[N+]([O-])c1ccc(cc1)[*:1] CCN1C(=O)S/C(=C\c2ccc(OC[*:1])c(Cl)c2)C1=O
CCN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O O=[N+]([O-])[*:1] CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(cc3)[*:1])c(Cl)c2)C1=O
Cc1cccnc1NC(=O)c1ccc(OC(C)C)cc1 CC(C)[*:1] Cc1cccnc1NC(=O)c1ccc(cc1)O[*:1]
Cc1cccnc1NC(=O)c1ccc(OC(C)C)cc1 CC(C)O[*:1] Cc1cccnc1NC(=O)c1ccc(cc1)[*:1]
O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 O=c1[nH]c2ccccc2n1[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)N1CCC(CC1)[*:1]
O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 Fc1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
CN[C@@H](C)c1cc[nH+]c(N2CCCC[C@@H]2CO)c1 CN[C@@H](C)[*:1] OC[C@H]1CCCCN1c1cc(cc[nH+]1)[*:1]
Cc1c(C(=O)NC[C@@H](C)N(C)c2ccccc2)oc2c1C(=O)CCC2 CN(c1ccccc1)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)NC[C@@H](C)[*:1]
Cc1c(C(=O)NC[C@@H](C)N(C)c2ccccc2)oc2c1C(=O)CCC2 c1ccc(cc1)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)NC[C@@H](C)N(C)[*:1]
Cc1ccc(NC(=O)C(C)(C)F)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C(C)(C)F
Cc1ccc(NC(=O)C(C)(C)F)cc1S(N)(=O)=O CC(C)(F)[*:1] Cc1ccc(cc1S(N)(=O)=O)NC(=O)[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)c1 COc1ccc(OC)c(c1)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CCN(CC1)C[*:1]
CNS(=O)(=O)c1cc(C(=O)NCCOc2cccc(C)c2)c(C)o1 Cc1cccc(c1)O[*:1] CNS(=O)(=O)c1cc(C(=O)NCC[*:1])c(C)o1
CNS(=O)(=O)c1cc(C(=O)NCCOc2cccc(C)c2)c(C)o1 CNS(=O)(=O)[*:1] Cc1cccc(c1)OCCNC(=O)c1cc(oc1C)[*:1]
CNS(=O)(=O)c1cc(C(=O)NCCOc2cccc(C)c2)c(C)o1 Cc1cccc(c1)[*:1] CNS(=O)(=O)c1cc(C(=O)NCCO[*:1])c(C)o1
C/C(=C/C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccccc1 O=C(N[*:1])[C@@H]1CCCO1 C/C(=C/C(=O)NCc1cccc(c1)[*:1])c1ccccc1
C/C(=C/C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccccc1 CC(=C[*:1])c1ccccc1 O=C(Nc1cccc(c1)CNC(=O)[*:1])[C@@H]1CCCO1
C/C(=C/C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(=CC(=O)NCc1cccc(c1)NC(=O)[C@@H]1CCCO1)[*:1]
C=CCn1c(=O)c2ccccc2n2nnc(C(=O)OCC)c12 C=CC[*:1] CCOC(=O)c1nnn2c3ccccc3c(=O)n(c12)[*:1]
C=CCn1c(=O)c2ccccc2n2nnc(C(=O)OCC)c12 CCOC(=O)[*:1] C=CCn1c(=O)c2ccccc2n2nnc(c12)[*:1]
Cc1cccc(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1C CC(C)(C)n1nnnc1[*:1] Cc1cccc(c1C)N1CC[NH+](CC1)[C@@H](CC(C)C)[*:1]
Cc1cccc(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1C CC(C)(C)[*:1] Cc1cccc(c1C)N1CC[NH+](CC1)[C@@H](CC(C)C)c1nnnn1[*:1]
Cc1cccc(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1C CC(C)[*:1] Cc1cccc(c1C)N1CC[NH+](CC1)[C@@H](C[*:1])c1nnnn1C(C)(C)C
Cc1cccc(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1C Cc1cccc(c1C)[*:1] CC(C)C[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(CC1)[*:1]
Cc1cccc(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1C CC(C)C[*:1] Cc1cccc(c1C)N1CC[NH+](CC1)[C@@H](c1nnnn1C(C)(C)C)[*:1]
C#CCN1C(=O)N=C(N)[C@]12CCCC[C@@H]2C C#CC[*:1] C[C@H]1CCCC[C@]12C(N)=NC(=O)N2[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ncoc2C)C1 COCC[*:1] Cc1ocnc1C(=O)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ncoc2C)C1 Cc1ocnc1[*:1] COCCn1cc[nH+]c1[C@@H]1CCCN(C1)C(=O)[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ncoc2C)C1 COC[*:1] Cc1ocnc1C(=O)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
COc1ccccc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O COc1ccccc1[*:1] O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[*:1]
COc1ccc(C(C)C)cc1S(=O)(=O)n1ccnc1C(C)C CC(C)[*:1] COc1ccc(cc1S(=O)(=O)n1ccnc1[*:1])C(C)C
COc1ccc(C(C)C)cc1S(=O)(=O)n1ccnc1C(C)C CC(C)[*:1] COc1ccc(cc1S(=O)(=O)n1ccnc1C(C)C)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 CC(=O)N[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCC1)N1CCC[C@H](C1)C[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 CC(=O)NC[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCC1)N1CCC[C@H](C1)[*:1]
C[NH+](CCCn1c(=O)oc2ccccc21)Cc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] C[NH+](CCCn1c(=O)oc2ccccc21)C[*:1]
Cc1ccccc1CN1C(=O)[C@H](CC(=O)[O-])n2c(nc3ccccc32)[C@H]1C Cc1ccccc1C[*:1] C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)[O-])C(=O)N1[*:1]
Cc1ccccc1CN1C(=O)[C@H](CC(=O)[O-])n2c(nc3ccccc32)[C@H]1C O=C([O-])[*:1] Cc1ccccc1CN1C(=O)[C@H](C[*:1])n2c(nc3ccccc32)[C@H]1C
Cc1ccccc1CN1C(=O)[C@H](CC(=O)[O-])n2c(nc3ccccc32)[C@H]1C Cc1ccccc1[*:1] C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)[O-])C(=O)N1C[*:1]
CNC(=O)c1cccc(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c1 Brc1ccccc1[*:1] CNC(=O)c1cccc(c1)CNC(=O)[C@@H]1CCN(C1=O)[*:1]
CNC(=O)c1cccc(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c1 CNC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])[C@@H]1CCN(C1=O)c1ccccc1Br
COc1cccc(C(=O)Nc2cccc(N3CCNC3=O)c2)c1F O=C1NCCN1[*:1] COc1cccc(C(=O)Nc2cccc(c2)[*:1])c1F
C[C@H]1C(=O)Nc2cc(C(=O)N(C)Cc3ccccc3Cl)ccc2N1C Clc1ccccc1C[*:1] C[C@H]1C(=O)Nc2cc(ccc2N1C)C(=O)N(C)[*:1]
C[C@H]1C(=O)Nc2cc(C(=O)N(C)Cc3ccccc3Cl)ccc2N1C Clc1ccccc1[*:1] C[C@H]1C(=O)Nc2cc(ccc2N1C)C(=O)N(C)C[*:1]
Cn1c(Cc2cccs2)nnc1SCCN1C(=O)c2ccccc2C1=O c1csc(c1)[*:1] Cn1c(C[*:1])nnc1SCCN1C(=O)c2ccccc2C1=O
Cn1c(Cc2cccs2)nnc1SCCN1C(=O)c2ccccc2C1=O c1csc(c1)C[*:1] Cn1c(nnc1[*:1])SCCN1C(=O)c2ccccc2C1=O
Cc1cccc(C(C)C)c1S(=O)(=O)NC(C)(C)C CC(C)[*:1] Cc1cccc(c1S(=O)(=O)NC(C)(C)C)[*:1]
Cc1cccc(C(C)C)c1S(=O)(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1cccc(c1S(=O)(=O)N[*:1])C(C)C
Cc1csc(-c2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc(S(=O)(=O)N3CCOCC3)c2)c1 Cc1csc(c1)[*:1] C[NH+](C)[C@H]1CCN(C1)C(=O)c1cc(cc(c1)[*:1])S(=O)(=O)N1CCOCC1
Cc1csc(-c2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc(S(=O)(=O)N3CCOCC3)c2)c1 O=S(=O)(N1CCOCC1)[*:1] Cc1csc(c1)-c1cc(cc(c1)[*:1])C(=O)N1CC[C@@H](C1)[NH+](C)C
C[C@@H](C1CC1)N(C(=O)COc1ccc(C=O)cc1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)COc1ccc(C=O)cc1)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)COc1ccc(C=O)cc1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)COc1ccc(C=O)cc1)[*:1]
C[C@@H](C1CC1)N(C(=O)COc1ccc(C=O)cc1)C1CC1 C[C@@H](C1CC1)[*:1] O=Cc1ccc(cc1)OCC(=O)N(C1CC1)[*:1]
CCC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 c1ccc(cc1)[*:1] CCC(=O)NCc1ccc2C[C@@H](C)N(C(=O)[*:1])c2c1
CCC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 CCC(=O)NC[*:1] C[C@@H]1Cc2ccc(cc2N1C(=O)c1ccccc1)[*:1]
CCC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 CCC(=O)N[*:1] C[C@@H]1Cc2ccc(cc2N1C(=O)c1ccccc1)C[*:1]
Cc1cc(C(=O)NCCCn2cncn2)no1 c1ncn(n1)[*:1] Cc1cc(no1)C(=O)NCCC[*:1]
Nc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCC(=O)NC1 O=C1CC[C@@H](CN1)[*:1] Nc1ccc(cc1C(=O)N[*:1])C(F)(F)F
Nc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCC(=O)NC1 FC(F)(F)[*:1] Nc1ccc(cc1C(=O)N[C@H]1CCC(=O)NC1)[*:1]
CCC(CC)N(C)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 CCC(CC)[*:1] CN(C(=O)NCc1ccc(nc1)Oc1ccc(F)cc1)[*:1]
CCC(CC)N(C)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)[*:1] CCC(CC)N(C)C(=O)NCc1ccc(nc1)O[*:1]
CCC(CC)N(C)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)O[*:1] CCC(CC)N(C)C(=O)NCc1ccc(nc1)[*:1]
O=C(CCCn1ccnn1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 c1cn(CCC[*:1])nn1 O=C(N1CCO[C@H](C1)c1cccc(c1)OC(F)F)[*:1]
O=C(CCCn1ccnn1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CCO[C@H](C1)c1cccc(c1)OC(F)F
O=C(CCCn1ccnn1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] O=C(CCCn1ccnn1)N1CCO[C@H](C1)c1cccc(c1)[*:1]
O=C(CCCn1ccnn1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)[*:1] O=C(CCCn1ccnn1)N1CCO[C@H](C1)c1cccc(c1)O[*:1]
O=C(CCCn1ccnn1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCO[C@H](C1)c1cccc(c1)OC(F)F
O=C(CCCn1ccnn1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCO[C@H](C1)c1cccc(c1)OC(F)F
O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] O=C(c1cccc(c1)S(=O)(=O)NCc1ccccc1)N1CCCN(CC1)[*:1]
O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCCN(CC(F)(F)F)CC1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)S(=O)(=O)NC[*:1])N1CCCN(CC1)CC(F)(F)F
O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCCN(CC(F)(F)F)CC1 c1ccc(cc1)C[*:1] O=C(c1cccc(c1)S(=O)(=O)N[*:1])N1CCCN(CC1)CC(F)(F)F
O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1cccc(c1)S(=O)(=O)NCc1ccccc1)N1CCCN(CC1)C[*:1]
COc1ccc(CNS(C)(=O)=O)cc1F CS(=O)(=O)N[*:1] COc1ccc(cc1F)C[*:1]
COc1cc(C#N)ccc1OC(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] COc1cc(C#N)ccc1OC(=O)C=C[*:1]
CNC(=O)NCC(=O)N1CCC(Nc2cccc(C)c2)CC1 CNC(=O)N[*:1] Cc1cccc(c1)NC1CCN(CC1)C(=O)C[*:1]
CNC(=O)NCC(=O)N1CCC(Nc2cccc(C)c2)CC1 CNC(=O)NC[*:1] Cc1cccc(c1)NC1CCN(CC1)C(=O)[*:1]
CNC(=O)NCC(=O)N1CCC(Nc2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CNC(=O)NCC(=O)N1CCC(CC1)N[*:1]
C[C@@H]1OCC[C@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 FC(F)(F)C[*:1] C[C@@H]1OCC[C@H]1C(=O)NCc1ccnc(c1)O[*:1]
C[C@@H]1OCC[C@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] C[C@@H]1OCC[C@H]1C(=O)NCc1ccnc(c1)[*:1]
C[C@@H]1OCC[C@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H]1OCC[C@H]1C(=O)NCc1ccnc(c1)OC[*:1]
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(Br)cc1F NC(=O)[*:1] C[C@H]1CC[C@H](CN1C(=O)c1ccc(Br)cc1F)[*:1]
N#Cc1ccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1 N#Cc1ccc(cc1)[*:1] O[C@H](C[NH2+]C[*:1])CN1CCc2ccccc2C1
C=CCNC(=O)/C(C#N)=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 C=CCNC(=O)[*:1] N#CC(=Cc1cccn1-c1ccc(cc1)[N+](=O)[O-])[*:1]
C=CCNC(=O)/C(C#N)=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C=CCNC(=O)/C(C#N)=C/c1cccn1-c1ccc(cc1)[*:1]
C=CCNC(=O)/C(C#N)=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 C=CC[*:1] N#C/C(=C\c1cccn1-c1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
CC[NH+](Cc1ccn(C2CCCC2)n1)CC(C)(C)O CC(C)(O)[*:1] CC[NH+](Cc1ccn(n1)C1CCCC1)C[*:1]
CC[NH+](Cc1ccn(C2CCCC2)n1)CC(C)(C)O C1CCC(C1)[*:1] CC[NH+](Cc1ccn(n1)[*:1])CC(C)(C)O
CC[NH+](Cc1ccn(C2CCCC2)n1)CC(C)(C)O CC(C)(O)C[*:1] CC[NH+](Cc1ccn(n1)C1CCCC1)[*:1]
COCc1ccc(C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1 COC[*:1] C[C@@H]1CCC[C@H](NC(=O)c2ccc(cc2)[*:1])[C@@H]1C
CN(C)C(=O)CCNS(=O)(=O)/C=C/c1ccccc1 CN(C)C(=O)[*:1] O=S(=O)(/C=C/c1ccccc1)NCC[*:1]
CN(C)C(=O)CCNS(=O)(=O)/C=C/c1ccccc1 CN(C)C(=O)C[*:1] O=S(=O)(/C=C/c1ccccc1)NC[*:1]
CN(C)C(=O)CCNS(=O)(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)CCNS(=O)(=O)C=C[*:1]
O=C(COCc1ccccc1Cl)NNC(=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(COCc1ccccc1Cl)NNC(=O)[*:1]
O=C(COCc1ccccc1Cl)NNC(=O)[C@H]1CCCO1 Clc1ccccc1[*:1] O=C(COC[*:1])NNC(=O)[C@H]1CCCO1
CCc1nn(C)c(OC)c1CNC(=O)c1cncc(-c2ccccc2)c1 c1ccc(cc1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)c1cncc(c1)[*:1]
Cc1nc(CNC(=O)Nc2cncnc2N(C)C)sc1C Cc1nc(sc1C)[*:1] CN(C)c1ncncc1NC(=O)NC[*:1]
Cc1nc(CNC(=O)Nc2cncnc2N(C)C)sc1C CN(C)[*:1] Cc1nc(CNC(=O)Nc2cncnc2[*:1])sc1C
Cc1ccccc1[C@@H](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] Cc1ccccc1[C@@H](C)CC(=O)N1CCc2ccc(cc2C1)[*:1]
Cc1ccccc1[C@@H](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 Cc1ccccc1[*:1] C[C@@H](CC(=O)N1CCc2ccc(cc2C1)[N+](=O)[O-])[*:1]
O=C(CNC(=O)Nc1cccc(OCC(F)(F)F)c1)NC1CC1 FC(F)(F)C[*:1] O=C(CNC(=O)Nc1cccc(c1)O[*:1])NC1CC1
O=C(CNC(=O)Nc1cccc(OCC(F)(F)F)c1)NC1CC1 FC(F)(F)[*:1] O=C(CNC(=O)Nc1cccc(c1)OC[*:1])NC1CC1
O=C(CNC(=O)Nc1cccc(OCC(F)(F)F)c1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Nc1cccc(c1)OCC(F)(F)F)N[*:1]
O=C(CNC(=O)Nc1cccc(OCC(F)(F)F)c1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NC[*:1])Nc1cccc(c1)OCC(F)(F)F
O=C(CNC(=O)Nc1cccc(OCC(F)(F)F)c1)NC1CC1 C1CC1[*:1] O=C(CNC(=O)Nc1cccc(c1)OCC(F)(F)F)N[*:1]
O=C(CNC(=O)Nc1cccc(OCC(F)(F)F)c1)NC1CC1 FC(F)(F)CO[*:1] O=C(CNC(=O)Nc1cccc(c1)[*:1])NC1CC1
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1occc1-c1nnc(SCC(=O)N[*:1])n1[C@H](C)c1ccccc1
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1[C@H](C)[*:1]
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1[C@H](C)c1ccccc1 O=C(C[*:1])Nc1ccccc1 Cc1occc1-c1nnc(S[*:1])n1[C@H](C)c1ccccc1
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1[C@H](C)c1ccccc1 O=C(Nc1ccccc1)[*:1] Cc1occc1-c1nnc(SC[*:1])n1[C@H](C)c1ccccc1
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1[C@H](C)c1ccccc1 Cc1occc1[*:1] C[C@H](c1ccccc1)n1c(nnc1[*:1])SCC(=O)Nc1ccccc1
Oc1ccc(-c2cccc(C(F)(F)F)c2F)c(F)c1 FC(F)(F)[*:1] Oc1ccc(c(F)c1)-c1cccc(c1F)[*:1]
NS(=O)(=O)c1cccnc1NCc1[nH]c(-c2ccccc2)c[nH+]1 NS(=O)(=O)[*:1] c1ccc(cc1)-c1c[nH+]c(CNc2ncccc2[*:1])[nH]1
NS(=O)(=O)c1cccnc1NCc1[nH]c(-c2ccccc2)c[nH+]1 c1ccc(cc1)[*:1] NS(=O)(=O)c1cccnc1NCc1[nH]c(c[nH+]1)[*:1]
CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)[*:1]
CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)C(=O)[C@@H]1CCCO1)N[*:1]
CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 CC(C)NC(=O)[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)C[*:1]
O=C(CSc1nnc(-c2ccc(F)cc2)o1)NC(=O)NC12CC3CC(CC(C3)C1)C2 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])NC(=O)NC12CC3CC(CC(C3)C1)C2
CC(C)[C@@H](Cl)CCC[C@H]1CCCN(S(C)(=O)=O)C1 CC(C)[*:1] CS(=O)(=O)N1CCC[C@H](CCC[C@H](Cl)[*:1])C1
CC(C)[C@@H](Cl)CCC[C@H]1CCCN(S(C)(=O)=O)C1 CC(C)[C@@H](Cl)C[*:1] CS(=O)(=O)N1CCC[C@H](CC[*:1])C1
CC(C)[C@@H](Cl)CCC[C@H]1CCCN(S(C)(=O)=O)C1 CC(C)[C@@H](Cl)[*:1] CS(=O)(=O)N1CCC[C@H](CCC[*:1])C1
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 CCN(CC)S(=O)(=O)[*:1] O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1cccc(c1)[*:1]
Cc1ccc(NC(=O)c2scnc2C)cc1N1CCCS1(=O)=O O=S1(=O)CCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)c1scnc1C
Cc1ccc(NC(=O)c2scnc2C)cc1N1CCCS1(=O)=O Cc1ncsc1[*:1] Cc1ccc(cc1N1CCCS1(=O)=O)NC(=O)[*:1]
CC[C@@H](C)[C@H](C)n1c(CCl)nc2cc(Br)cnc21 CC[C@@H](C)[*:1] C[C@H](n1c(CCl)nc2cc(Br)cnc21)[*:1]
CC[C@@H](C)[C@H](C)n1c(CCl)nc2cc(Br)cnc21 CC[C@@H](C)[C@H](C)[*:1] ClCc1nc2cc(Br)cnc2n1[*:1]
O=C(CCCOc1ccccc1)N1CCC(CN2CCOCC2)CC1 c1ccc(cc1)O[*:1] O=C(CCC[*:1])N1CCC(CC1)CN1CCOCC1
O=C(CCCOc1ccccc1)N1CCC(CN2CCOCC2)CC1 c1ccc(cc1)[*:1] O=C(CCCO[*:1])N1CCC(CC1)CN1CCOCC1
O=C(CCCOc1ccccc1)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] O=C(CCCOc1ccccc1)N1CCC(CC1)[*:1]
O=C(CCCOc1ccccc1)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(CCCOc1ccccc1)N1CCC(CC1)C[*:1]
O=C(CCCOc1ccccc1)N1CCC(CN2CCOCC2)CC1 c1ccc(cc1)OC[*:1] O=C(CC[*:1])N1CCC(CC1)CN1CCOCC1
CCC[NH2+]C[C@]1(c2ccccc2OC)CC[C@H]1C CCC[*:1] COc1ccccc1[C@]1(CC[C@H]1C)C[NH2+][*:1]
CCSc1ccc(C(=O)N(CCC#N)c2ccccc2)cn1 N#CC[*:1] CCSc1ccc(cn1)C(=O)N(C[*:1])c1ccccc1
CCSc1ccc(C(=O)N(CCC#N)c2ccccc2)cn1 c1ccc(cc1)[*:1] CCSc1ccc(cn1)C(=O)N(CCC#N)[*:1]
CCSc1ccc(C(=O)N(CCC#N)c2ccccc2)cn1 CCS[*:1] N#CCCN(C(=O)c1ccc(nc1)[*:1])c1ccccc1
CCSc1ccc(C(=O)N(CCC#N)c2ccccc2)cn1 N#CCC[*:1] CCSc1ccc(cn1)C(=O)N(c1ccccc1)[*:1]
O=C1CS[C@@H](c2cccs2)N1Cc1cccnc1 c1cncc(c1)[*:1] O=C1CS[C@@H](c2cccs2)N1C[*:1]
O=C1CS[C@@H](c2cccs2)N1Cc1cccnc1 c1csc(c1)[*:1] O=C1CS[C@@H](N1Cc1cccnc1)[*:1]
NC(=O)[C@@H](CNc1ncccc1F)Cc1ccc(F)cc1 Fc1cccnc1[*:1] NC(=O)[C@@H](CN[*:1])Cc1ccc(F)cc1
NC(=O)[C@@H](CNc1ncccc1F)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@@H](CNc1ncccc1F)C[*:1]
NC(=O)[C@@H](CNc1ncccc1F)Cc1ccc(F)cc1 NC(=O)[*:1] Fc1ccc(cc1)C[C@H](CNc1ncccc1F)[*:1]
CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc(O)cc1 CCSC[*:1] CC1N=C2CCCC(=O)[C@@H]2[C@@H](C=1C(=O)OC[*:1])c1ccc(O)cc1
CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc(O)cc1 CCSCCOC(=O)[*:1] CC1N=C2CCCC(=O)[C@@H]2[C@@H](C=1[*:1])c1ccc(O)cc1
CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@H]1[*:1]
CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc(O)cc1 CCS[*:1] CC1N=C2CCCC(=O)[C@@H]2[C@@H](C=1C(=O)OCC[*:1])c1ccc(O)cc1
CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc(O)cc1 CCSCC[*:1] CC1N=C2CCCC(=O)[C@@H]2[C@@H](C=1C(=O)O[*:1])c1ccc(O)cc1
CC(C)OCCN1CCN(C(=O)c2nccn2C)CC1 CC(C)[*:1] Cn1ccnc1C(=O)N1CCN(CCO[*:1])CC1
CC(C)OCCN1CCN(C(=O)c2nccn2C)CC1 CC(C)OC[*:1] Cn1ccnc1C(=O)N1CCN(CC1)C[*:1]
CC(C)OCCN1CCN(C(=O)c2nccn2C)CC1 CC(C)O[*:1] Cn1ccnc1C(=O)N1CCN(CC1)CC[*:1]
CC(C)OCCN1CCN(C(=O)c2nccn2C)CC1 CC(C)OCC[*:1] Cn1ccnc1C(=O)N1CCN(CC1)[*:1]
CC(C)OCCN1CCN(C(=O)c2nccn2C)CC1 Cn1ccnc1[*:1] CC(C)OCCN1CCN(CC1)C(=O)[*:1]
COc1ccc(Cc2noc(-c3ccc(-c4ccc(OC)nc4)nc3)n2)cc1 COc1ccc(cn1)[*:1] COc1ccc(cc1)Cc1noc(n1)-c1ccc(nc1)[*:1]
COc1ccc(Cc2noc(-c3ccc(-c4ccc(OC)nc4)nc3)n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cn1)-c1ccc(cn1)-c1nc(C[*:1])no1
COc1ccc(Cc2noc(-c3ccc(-c4ccc(OC)nc4)nc3)n2)cc1 COc1ccc(cc1)C[*:1] COc1ccc(cn1)-c1ccc(cn1)-c1nc(no1)[*:1]
CCc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 CCc1ccc(cc1)O[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NNC(=O)[C@@H](C)[*:1]
CCc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)O[C@H](C)C(=O)NNC(=O)c1ccc(C)c(c1)[*:1]
CCc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NNC(=O)[C@@H](C)O[*:1]
Cc1csc([C@H](C)NC(=O)N2CCC[C@H]2C2CCCC2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)N1CCC[C@H]1C1CCCC1)[*:1]
Cc1csc([C@H](C)NC(=O)N2CCC[C@H]2C2CCCC2)n1 C1CCC(C1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)N1CCC[C@@H]1[*:1]
C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1I C=CCOC(=O)[*:1] CC1=C([C@H](NC(=O)N1C)c1ccccc1I)[*:1]
C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1I C=CC[*:1] CC1=C(C(=O)O[*:1])[C@H](NC(=O)N1C)c1ccccc1I
C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1I Ic1ccccc1[*:1] C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1[*:1]
C/C(=C/C(=O)Nc1ccc(C)cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CC(=CC(=O)Nc1ccc(C)cc1Cl)[*:1]
C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2Cl)C[C@@H](C)O1 Clc1cccc(c1Cl)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] COc1ccc(cc1C(=O)N[C@H](C[*:1])c1ccc(F)cc1)[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1C(=O)N[C@H](CC(F)(F)F)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] COc1ccc(cc1C(=O)N[C@H](c1ccc(F)cc1)[*:1])[N+](=O)[O-]
CS[C@@H]1CN(CC(=O)Nc2ccnn2Cc2cccc(C)c2)C[C@H]1N(C)C Cc1cccc(c1)[*:1] CS[C@@H]1CN(CC(=O)Nc2ccnn2C[*:1])C[C@H]1N(C)C
CS[C@@H]1CN(CC(=O)Nc2ccnn2Cc2cccc(C)c2)C[C@H]1N(C)C Cc1cccc(c1)C[*:1] CS[C@@H]1CN(CC(=O)Nc2ccnn2[*:1])C[C@H]1N(C)C
CS[C@@H]1CN(CC(=O)Nc2ccnn2Cc2cccc(C)c2)C[C@H]1N(C)C CN(C)[*:1] CS[C@@H]1CN(CC(=O)Nc2ccnn2Cc2cccc(C)c2)C[C@@H]1[*:1]
Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCc1ccco1 CN(C)S(=O)(=O)[*:1] Cc1cc(ccc1OCC(=O)NCc1ccco1)[*:1]
Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCc1ccco1 c1coc(c1)C[*:1] Cc1cc(ccc1OCC(=O)N[*:1])S(=O)(=O)N(C)C
Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NCc1ccco1 c1coc(c1)[*:1] Cc1cc(ccc1OCC(=O)NC[*:1])S(=O)(=O)N(C)C
COC(=O)C(C)(C)COc1cc2c(cc1C[NH3+])OCO2 COC(=O)[*:1] CC(C)(COc1cc2OCOc2cc1C[NH3+])[*:1]
COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1C O=C([O-])[*:1] COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(cc1C)[*:1]
CC(C)N(CC1CC1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C C1CC1[*:1] CC(C)N(C[*:1])C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C
CC(C)N(CC1CC1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CC(C)[*:1] C[C@@H]1[C@H](CCN1C(=O)N(CC1CC1)[*:1])C(=O)[O-]
CC(C)N(CC1CC1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C C1CC1C[*:1] CC(C)N(C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[*:1]
CC(C)N(CC1CC1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] CC(C)N(CC1CC1)C(=O)N1CC[C@H]([C@H]1C)[*:1]
COc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C(=O)/C(C#N)=C/c1ccc(o1)-c1ccc(cc1)[*:1]
COc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)/C(C#N)=C/c1ccc(o1)[*:1]
COc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 COc1ccc(cc1)[*:1] N#C/C(=C\c1ccc(o1)-c1ccc(cc1)[N+](=O)[O-])C(=O)[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N[C@@](C)(CC)c2ccccc2)C1 CC[S@](=O)[*:1] CC[C@](C)(NC(=O)N[C@H]1CCC[C@@H](C1)[*:1])c1ccccc1
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N[C@@](C)(CC)c2ccccc2)C1 c1ccc(cc1)[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)N[C@@](C)(CC)[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C(C)(C)C)s2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)c1nnc(NC(=O)CCNS(=O)(=O)[*:1])s1
Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C(C)(C)C)s2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)S(=O)(=O)NCCC(=O)Nc1nnc(s1)[*:1]
CCN[C@]1(C#N)CCC[C@H]([NH+]2CCC(CC)(CC)CC2)C1 CCN[*:1] CCC1(CC)CC[NH+](CC1)[C@H]1CCC[C@@](C#N)(C1)[*:1]
COc1ccc(CC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ccc(cc1)-c1noc(CN2CCN(CC2)C(=O)C[*:1])n1
COc1ccc(CC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(CC(=O)N2CCN(CC2)Cc2nc(no2)[*:1])c(c1)OC
CCc1nn(C)cc1CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 CCc1nn(C)cc1[*:1] C[C@]1(CCCN(C1)C(=O)c1ccccc1)C(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 CCc1nn(C)cc1C[*:1] C[C@]1(CCCN(C1)C(=O)c1ccccc1)C(=O)N[*:1]
CCc1nn(C)cc1CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)[C@]1(C)CCCN(C1)C(=O)[*:1]
Cc1cc2c3c([nH]c2cc1S(=O)(=O)NCCc1ccc(Cl)cc1)CCCC3=O Clc1ccc(cc1)C[*:1] Cc1cc2c3C(=O)CCCc3[nH]c2cc1S(=O)(=O)NC[*:1]
Cc1cc2c3c([nH]c2cc1S(=O)(=O)NCCc1ccc(Cl)cc1)CCCC3=O Clc1ccc(cc1)[*:1] Cc1cc2c3C(=O)CCCc3[nH]c2cc1S(=O)(=O)NCC[*:1]
Cc1cc2c3c([nH]c2cc1S(=O)(=O)NCCc1ccc(Cl)cc1)CCCC3=O Clc1ccc(cc1)CC[*:1] Cc1cc2c3C(=O)CCCc3[nH]c2cc1S(=O)(=O)N[*:1]
CCCc1nn(C)c2c1NC(=O)C(CC)(CC)N2 CCC[*:1] CCC1(CC)Nc2c(NC1=O)c(nn2C)[*:1]
COc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 COc1cccc(c1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)Nc1cc(Cl)c(N)c(Cl)c1
COc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 CC(=O)N[*:1] COc1cccc(c1)C[C@@H](C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[*:1]
C[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C1CC1 C[C@@H](C1CC1)[*:1] O=C(N[*:1])c1ccc(s1)-c1ccc(Cl)cc1
C[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)c1ccc(s1)-c1ccc(Cl)cc1)[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)n1 O=C(N1CCCC1)[*:1] Cc1cccc(n1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1c[nH]c(c1)[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)n1 Cc1cccc(n1)NC(=O)[*:1] O=C(c1cc(c[nH]1)S(=O)(=O)N1CCC[C@H](C1)[*:1])N1CCCC1
Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1c[nH]c(c1)C(=O)N1CCCC1
COc1cccc([C@H](CO)NC(=O)c2ccc3nnc(C(F)F)n3c2)c1 FC(F)[*:1] COc1cccc(c1)[C@H](CO)NC(=O)c1ccc2nnc(n2c1)[*:1]
COc1cccc([C@H](CO)NC(=O)c2ccc3nnc(C(F)F)n3c2)c1 COc1cccc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1ccc2nnc(C(F)F)n2c1
CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 CCC[*:1] O=c1ccc2c(CCC[C@H]2[NH2+][C@H]2C[C@H]2[*:1])[nH]1
Cc1ccccc1C[C@H](C)NC(=O)/C=C/c1cnn(C)c1 Cc1ccccc1[*:1] C[C@@H](C[*:1])NC(=O)/C=C/c1cnn(C)c1
Cc1ccccc1C[C@H](C)NC(=O)/C=C/c1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1ccccc1C[C@H](C)NC(=O)C=C[*:1]
CCN(C(=O)Nc1cc(NC(C)=O)ccc1C)[C@H](C)Cc1ccc(OC)cc1 COc1ccc(cc1)C[*:1] CCN(C(=O)Nc1cc(ccc1C)NC(C)=O)[C@H](C)[*:1]
CCN(C(=O)Nc1cc(NC(C)=O)ccc1C)[C@H](C)Cc1ccc(OC)cc1 CC(=O)N[*:1] CCN(C(=O)Nc1cc(ccc1C)[*:1])[C@H](C)Cc1ccc(cc1)OC
CCN(C(=O)Nc1cc(NC(C)=O)ccc1C)[C@H](C)Cc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(C(=O)Nc1cc(ccc1C)NC(C)=O)[C@H](C)C[*:1]
COc1cc(C)c(NC(=O)COc2cccc(C)c2)cc1OC Cc1cccc(c1)[*:1] COc1cc(C)c(cc1OC)NC(=O)CO[*:1]
CC(C)c1nnc2c(SCC(=O)N3CCN(c4ccccc4F)CC3)nc3ccccc3n12 Fc1ccccc1[*:1] CC(C)c1nnc2c(nc3ccccc3n12)SCC(=O)N1CCN(CC1)[*:1]
CC(C)c1nnc2c(SCC(=O)N3CCN(c4ccccc4F)CC3)nc3ccccc3n12 CC(C)[*:1] O=C(CSc1nc2ccccc2n2c(nnc12)[*:1])N1CCN(CC1)c1ccccc1F
O=C(c1ccsc1)c1ccc(Br)cc1F c1cc(cs1)[*:1] O=C(c1ccc(Br)cc1F)[*:1]
Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cc(C)ccc3C)N(C)C2=O)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)NC(=O)C[C@H]1SC(=N[*:1])N(C)C1=O
Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cc(C)ccc3C)N(C)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)/N=C1/S[C@H](CC(=O)N[*:1])C(=O)N1C
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCOc2ccc(F)cc21 O=[N+]([O-])[*:1] O=C(c1ccc(cc1Cl)[*:1])N1CCOc2ccc(F)cc21
C[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccco1 NS(=O)(=O)[*:1] C[C@H](NC(=O)CSc1nc2cc(ccc2n1C)[*:1])c1ccco1
C[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccco1 C[C@H](c1ccco1)[*:1] Cn1c(nc2cc(ccc21)S(N)(=O)=O)SCC(=O)N[*:1]
C[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)CSc1nc2cc(ccc2n1C)S(N)(=O)=O)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1-n1cnnn1 c1nnnn1[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1-n1cnnn1 c1coc(c1)[*:1] Cc1ccc(cc1-n1cnnn1)NC(=O)C(=O)NC[C@@H]([NH+](C)C)[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(Cc2cccc(C)c2)C2CC2)cc1 C1CC1[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1cccc(C)c1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(Cc2cccc(C)c2)C2CC2)cc1 Cc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(C[*:1])C1CC1
CC(=O)c1ccc(S(=O)(=O)N(Cc2cccc(C)c2)C2CC2)cc1 CC(=O)[*:1] Cc1cccc(c1)CN(C1CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(Cc2cccc(C)c2)C2CC2)cc1 Cc1cccc(c1)C[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(C1CC1)[*:1]
CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)CC1 c1csc(c1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
O=C(C[NH+]1CCOCC1)NCCNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCOCC1)NCCNC(=O)[*:1]
C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(CN2CCCCC2=O)c1 O=C1CCCCN1[*:1] C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(c1)C[*:1]
C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(CN2CCCCC2=O)c1 O=C1CCCCN1C[*:1] C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1C1=C[C@H]([C@H]2NC(c3cccc(F)c3)=NO2)N=N1 Fc1cccc(c1)[*:1] Cc1ccccc1C1=C[C@@H](N=N1)[C@H]1NC(=NO1)[*:1]
Cc1ccccc1C1=C[C@H]([C@H]2NC(c3cccc(F)c3)=NO2)N=N1 Cc1ccccc1[*:1] Fc1cccc(c1)C1=NO[C@H](N1)[C@H]1C=C(N=N1)[*:1]
O=C([C@@H]1COc2ccccc2O1)N(C[C@@H]1CCCO1)c1nc2c(F)cccc2s1 C1CO[C@@H](C1)[*:1] O=C([C@@H]1COc2ccccc2O1)N(C[*:1])c1nc2c(F)cccc2s1
O=C([C@@H]1COc2ccccc2O1)N(C[C@@H]1CCCO1)c1nc2c(F)cccc2s1 C1CO[C@@H](C1)C[*:1] O=C([C@@H]1COc2ccccc2O1)N(c1nc2c(F)cccc2s1)[*:1]
Cc1csc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 Cc1csc(n1)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1csc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 Cc1csc(C[*:1])n1 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1csc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 CC(C)(C)[*:1] Cc1csc(CNC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)[*:1])n1
Cc1cscc1C(=O)O[C@@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1cscc1C(=O)O[C@@H](C)[*:1]
CC(C)Cn1ncnc1CN1C[C@H](C)C[C@@H]([NH3+])C1 CC(C)C[*:1] C[C@@H]1C[C@@H]([NH3+])CN(Cc2ncnn2[*:1])C1
CC(C)Cn1ncnc1CN1C[C@H](C)C[C@@H]([NH3+])C1 CC(C)[*:1] C[C@@H]1C[C@@H]([NH3+])CN(Cc2ncnn2C[*:1])C1
COC(=O)c1ccc(CNc2cccc(C[NH+](C)C)c2)[nH]1 COC(=O)[*:1] C[NH+](C)Cc1cccc(c1)NCc1ccc([nH]1)[*:1]
CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC[C@H](C)[S@](C)=O)CCO2 CC(C)[*:1] C[C@@H](CC[NH2+][C@H]1CCOc2ccc(cc21)[*:1])[S@](C)=O
CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC[C@H](C)[S@](C)=O)CCO2 C[S@](=O)[*:1] CC(C)c1ccc2OCC[C@H]([NH2+]CC[C@H](C)[*:1])c2c1
COc1ccc(C)cc1CSc1nnc(-c2ccccc2F)n1C1CC1 Fc1ccccc1[*:1] COc1ccc(C)cc1CSc1nnc(n1C1CC1)[*:1]
COc1ccc(C)cc1CSc1nnc(-c2ccccc2F)n1C1CC1 C1CC1[*:1] COc1ccc(C)cc1CSc1nnc(-c2ccccc2F)n1[*:1]
C[C@H](O)CC[C@H](O)C(C)(C)C C[C@H](O)[*:1] CC(C)(C)[C@@H](O)CC[*:1]
O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Cl)cc1 c1cc(n[nH]1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)[*:1]
CC(=O)c1cccc(OC[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c1 CC(=O)[*:1] O=[N+]([O-])c1cn(cn1)C[C@H](O)COc1cccc(c1)[*:1]
CC(=O)c1cccc(OC[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CC(=O)c1cccc(c1)OC[C@@H](O)Cn1cnc(c1)[*:1]
COC[C@H](C)n1c(C)cc(/C=C(C#N)\C([O-])=N\c2ncn[nH]2)c1C COC[*:1] Cc1cc(/C=C(C#N)\C([O-])=N\c2ncn[nH]2)c(C)n1[C@@H](C)[*:1]
COC[C@H](C)n1c(C)cc(/C=C(C#N)\C([O-])=N\c2ncn[nH]2)c1C c1n[nH]c(n1)[*:1] COC[C@H](C)n1c(C)cc(/C=C(/C#N)C([O-])=N[*:1])c1C
COC[C@H](C)n1c(C)cc(/C=C(C#N)\C([O-])=N\c2ncn[nH]2)c1C COC[C@H](C)[*:1] Cc1cc(/C=C(C#N)\C([O-])=N\c2ncn[nH]2)c(C)n1[*:1]
O=C(Nc1ccccc1F)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1 Fc1ccccc1[*:1] O=C(N[*:1])N1CCN(CC1)c1nc2cc(Br)ccc2n2cccc12
O=C(Cc1ccccc1O)N1CCCC[C@H]1C1OCCO1 C1COC(O1)[*:1] O=C(Cc1ccccc1O)N1CCCC[C@@H]1[*:1]
O=C(Cc1ccccc1O)N1CCCC[C@H]1C1OCCO1 Oc1ccccc1[*:1] O=C(C[*:1])N1CCCC[C@H]1C1OCCO1
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1ccc(O)c(c1)-c1nc2ccccc2s1)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=S(=O)([N-]c1ccc(O)c(c1)-c1nc2ccccc2s1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 c1ccc2sc(nc2c1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)[N-]c1ccc(O)c(c1)[*:1]
Cc1ccc([C@@H](C(=O)NCc2ccc(O)cc2)N(C)C)cc1 Oc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](C(=O)NC[*:1])N(C)C
Cc1ccc([C@@H](C(=O)NCc2ccc(O)cc2)N(C)C)cc1 CN(C)[*:1] Cc1ccc(cc1)[C@@H](C(=O)NCc1ccc(O)cc1)[*:1]
Cc1ccc([C@@H](C(=O)NCc2ccc(O)cc2)N(C)C)cc1 Cc1ccc(cc1)[*:1] CN(C)[C@H](C(=O)NCc1ccc(O)cc1)[*:1]
O=c1ccccn1CCCCNc1cccc(C(F)(F)F)n1 FC(F)(F)[*:1] O=c1ccccn1CCCCNc1cccc(n1)[*:1]
O=c1ccccn1CCCCNc1cccc(C(F)(F)F)n1 O=c1ccccn1[*:1] FC(F)(F)c1cccc(n1)NCCCC[*:1]
Cc1cc(N(C)[C@@H]2CCSC2)ccc1N C1C[C@H](CS1)[*:1] Cc1cc(ccc1N)N(C)[*:1]
CC[NH2+][C@@H](C)c1csc(NC(=O)N[C@@H]2CCOC2)n1 C1C[C@H](CO1)[*:1] CC[NH2+][C@@H](C)c1csc(n1)NC(=O)N[*:1]
CCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(N2CCOCC2)n1 C1CN(CCO1)[*:1] CCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(n1)[*:1]
CCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(N2CCOCC2)n1 Fc1ccc(cc1)[*:1] CCc1cc(=O)n(CC(=O)N[*:1])c(n1)N1CCOCC1
CCN(CC)C(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1 CCN(CC)C(=O)[*:1] O=C(C[C@H]1SC(=NC1=O)N1CCCCC1)Nc1cccc(c1)[*:1]
N#Cc1ccc(-c2ccc(Oc3ccc4nnnn4n3)cc2)cc1 N#Cc1ccc(cc1)[*:1] c1cc(ccc1Oc1ccc2nnnn2n1)[*:1]
C=CCNC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 C=CC[*:1] CON(C)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
C=CCNC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 C=CCNC(=O)[*:1] CON(C)S(=O)(=O)c1ccc(cc1)[*:1]
O=C(NCCCn1cc[nH+]c1)N1C[C@H]2CCCC[C@]21c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCn1cc[nH+]c1)N1C[C@H]2CCCC[C@]21[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@]1(CC1(Cl)Cl)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 CCOC(=O)[*:1] O=C1C(Cl)=C(Nc2cccc(c2)[*:1])C(=O)N1Cc1ccccc1
CCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] CCOC(=O)c1cccc(c1)NC1C(=O)N(C(=O)C=1Cl)[*:1]
CCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] CCOC(=O)c1cccc(c1)NC1C(=O)N(C[*:1])C(=O)C=1Cl
NC(=O)c1cccc(NC(=O)c2cc3cc(F)ccc3s2)c1 NC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2cc(F)ccc2s1
Cc1n[nH]c(C(=O)Nc2ccccc2S(C)(=O)=O)n1 CS(=O)(=O)[*:1] Cc1n[nH]c(n1)C(=O)Nc1ccccc1[*:1]
Cc1n[nH]c(C(=O)Nc2ccccc2S(C)(=O)=O)n1 Cc1n[nH]c(n1)[*:1] CS(=O)(=O)c1ccccc1NC(=O)[*:1]
Cc1ncccc1NC(=O)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 Cc1ncccc1[*:1] O=C(NCC1(CCCC1)c1cccc(Cl)c1)C(=O)N[*:1]
Cc1ncccc1NC(=O)C(=O)NCC1(c2cccc(Cl)c2)CCCC1 Clc1cccc(c1)[*:1] Cc1ncccc1NC(=O)C(=O)NCC1(CCCC1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 FC(F)(F)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCC1(CCOCC1)c1cccc(c1)[*:1]
COc1ccc(-c2cc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)on2)cc1 COc1ccc(cc1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(no1)[*:1]
COc1ccc(-c2cc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)on2)cc1 NC(=O)[*:1] COc1ccc(cc1)-c1cc(on1)C(=O)N1Cc2ccccc2C[C@@H]1[*:1]
CCOC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1cccc(C#N)c1 CCOC(=O)[*:1] CC1=C([C@@H](NC(=O)N1CCc1cccs1)c1cccc(C#N)c1)[*:1]
CCOC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1cccc(C#N)c1 c1csc(c1)[*:1] CCOC(=O)C1=C(C)N(CC[*:1])C(=O)N[C@H]1c1cccc(C#N)c1
CCOC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1cccc(C#N)c1 c1csc(c1)C[*:1] CCOC(=O)C1=C(C)N(C[*:1])C(=O)N[C@H]1c1cccc(C#N)c1
CCOC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CCOC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@@H]1[*:1]
CCOC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1cccc(C#N)c1 c1csc(c1)CC[*:1] CCOC(=O)C1=C(C)N(C(=O)N[C@H]1c1cccc(C#N)c1)[*:1]
CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC/N=C(\O)c1ncccc1O)CCC2 Oc1cccnc1[*:1] CC(C)c1ccc2CCC[C@H]([NH2+]CC/N=C(\O)[*:1])c2c1
CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC/N=C(\O)c1ncccc1O)CCC2 CC(C)[*:1] O/C(=N\CC[NH2+][C@H]1CCCc2ccc(cc21)[*:1])c1ncccc1O
COc1ccc(-c2nc(C(=O)N(C(C)C)C3CCOCC3)c(C)o2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)-c1nc(C(=O)N(C(C)C)[*:1])c(C)o1
COc1ccc(-c2nc(C(=O)N(C(C)C)C3CCOCC3)c(C)o2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nc(C(=O)N(C2CCOCC2)[*:1])c(C)o1
COc1ccc(-c2nc(C(=O)N(C(C)C)C3CCOCC3)c(C)o2)cc1 COc1ccc(cc1)[*:1] Cc1oc(nc1C(=O)N(C(C)C)C1CCOCC1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc(F)cc3)CC2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(NCCc1ccc(F)cc1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc(F)cc3)CC2=O)cc1Cl Fc1ccc(cc1)C[*:1] Cc1ccc(cc1Cl)N1C[C@H](CC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc(F)cc3)CC2=O)cc1Cl Fc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)N1C[C@H](CC1=O)C(=O)NCC[*:1]
CC(=O)c1cccc(S(=O)(=O)/N=c2\[nH]cccc2-c2ccccc2)c1 CC(=O)[*:1] O=S(=O)(/N=c1\[nH]cccc1-c1ccccc1)c1cccc(c1)[*:1]
CC(=O)c1cccc(S(=O)(=O)/N=c2\[nH]cccc2-c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)/N=c1\[nH]cccc1[*:1]
c1ccc(-n2nnnc2SCc2ccon2)cc1 c1cc(no1)[*:1] c1ccc(cc1)-n1nnnc1SC[*:1]
c1ccc(-n2nnnc2SCc2ccon2)cc1 c1cc(C[*:1])no1 c1ccc(cc1)-n1nnnc1S[*:1]
c1ccc(-n2nnnc2SCc2ccon2)cc1 c1ccc(cc1)[*:1] c1cc(CSc2nnnn2[*:1])no1
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NNC(=O)c1cccs1 c1csc(c1)[*:1] C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NNC(=O)[*:1]
N#Cc1ccc(F)c(CNC(=O)c2ccnc(OCc3ccccc3)c2)c1 c1ccc(cc1)CO[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1ccnc(c1)[*:1]
N#Cc1ccc(F)c(CNC(=O)c2ccnc(OCc3ccccc3)c2)c1 N#Cc1ccc(F)c(c1)[*:1] O=C(NC[*:1])c1ccnc(c1)OCc1ccccc1
N#Cc1ccc(F)c(CNC(=O)c2ccnc(OCc3ccccc3)c2)c1 c1ccc(cc1)C[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1ccnc(c1)O[*:1]
N#Cc1ccc(F)c(CNC(=O)c2ccnc(OCc3ccccc3)c2)c1 c1ccc(cc1)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1ccnc(c1)OC[*:1]
C[C@@H](OC(=O)c1occc1-c1ccccc1)C(=O)Nc1ccc(F)cc1F c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1occc1[*:1])C(=O)Nc1ccc(F)cc1F
C[C@@H](OC(=O)c1occc1-c1ccccc1)C(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](OC(=O)c1occc1-c1ccccc1)C(=O)N[*:1]
O=C(N/N=C/C=C/c1ccccc1)C1=NN=C(C23CC4CC(CC(C4)C2)C3)C1 c1ccc(cc1)[*:1] O=C(N/N=C/C=C[*:1])C1CC(=NN=1)C12CC3CC(CC(C3)C1)C2
O=C(N/N=C/C=C/c1ccccc1)C1=NN=C(C23CC4CC(CC(C4)C2)C3)C1 C(=C[*:1])c1ccccc1 O=C(NN=C[*:1])C1CC(=NN=1)C12CC3CC(CC(C3)C1)C2
Cc1cc(C(=O)COc2ccc3c(c2)OCCO3)c(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C(=O)COc2ccc3OCCOc3c2)c(C)n1C[*:1]
Cc1cc(C(=O)COc2ccc3c(c2)OCCO3)c(C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)COc2ccc3OCCOc3c2)c(C)n1[*:1]
Cc1ccc(N2C[C@H](C(=O)NCc3cc(C)oc3C)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(CNC(=O)[C@@H]2CC(=O)N(C2)[*:1])c(C)o1
Cc1ccc(N2C[C@H](C(=O)NCc3cc(C)oc3C)CC2=O)cc1 Cc1cc(C[*:1])c(C)o1 Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)NCc3cc(C)oc3C)CC2=O)cc1 Cc1cc(c(C)o1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
CCN1c2ccc(C(=O)Nc3cccc(Br)c3)cc2-c2ccccc2S1(=O)=O Brc1cccc(c1)[*:1] CCN1c2ccc(cc2-c2ccccc2S1(=O)=O)C(=O)N[*:1]
Cc1cc(CCCC(=O)NCC[C@H](C)O)c(C)s1 C[C@H](O)[*:1] Cc1cc(CCCC(=O)NCC[*:1])c(C)s1
Cc1cc(CCCC(=O)NCC[C@H](C)O)c(C)s1 C[C@H](O)CC[*:1] Cc1cc(CCCC(=O)N[*:1])c(C)s1
Cc1cc(CCCC(=O)NCC[C@H](C)O)c(C)s1 C[C@H](O)C[*:1] Cc1cc(CCCC(=O)NC[*:1])c(C)s1
O=C(CCc1cccc([N+](=O)[O-])c1)NCc1csc(C2CC2)n1 C1CC1[*:1] O=C(CCc1cccc(c1)[N+](=O)[O-])NCc1csc(n1)[*:1]
O=C(CCc1cccc([N+](=O)[O-])c1)NCc1csc(C2CC2)n1 O=[N+]([O-])[*:1] O=C(CCc1cccc(c1)[*:1])NCc1csc(n1)C1CC1
COc1cc(C)ccc1NC(=O)CSc1nnc2ccc(C(=O)Nc3ccc(C)cc3)cn12 Cc1ccc(cc1)NC(=O)[*:1] COc1cc(C)ccc1NC(=O)CSc1nnc2ccc(cn12)[*:1]
COc1cc(C)ccc1NC(=O)CSc1nnc2ccc(C(=O)Nc3ccc(C)cc3)cn12 COc1cc(C)ccc1[*:1] Cc1ccc(cc1)NC(=O)c1ccc2nnc(SCC(=O)N[*:1])n2c1
COc1cc(C)ccc1NC(=O)CSc1nnc2ccc(C(=O)Nc3ccc(C)cc3)cn12 Cc1ccc(cc1)[*:1] COc1cc(C)ccc1NC(=O)CSc1nnc2ccc(cn12)C(=O)N[*:1]
COc1cc([C@H](C)NC(=O)c2nccnc2N)ccc1OCc1ccncc1 Nc1nccnc1[*:1] COc1cc(ccc1OCc1ccncc1)[C@H](C)NC(=O)[*:1]
COc1cc([C@H](C)NC(=O)c2nccnc2N)ccc1OCc1ccncc1 c1cc(ccn1)[*:1] COc1cc(ccc1OC[*:1])[C@H](C)NC(=O)c1nccnc1N
COc1cc([C@H](C)NC(=O)c2nccnc2N)ccc1OCc1ccncc1 c1cc(ccn1)CO[*:1] COc1cc(ccc1[*:1])[C@H](C)NC(=O)c1nccnc1N
COc1cc([C@H](C)NC(=O)c2nccnc2N)ccc1OCc1ccncc1 c1cc(ccn1)C[*:1] COc1cc(ccc1O[*:1])[C@H](C)NC(=O)c1nccnc1N
Cc1ccn([C@H](C)CC(=O)Nc2ccccc2F)n1 Cc1ccn(n1)[*:1] C[C@H](CC(=O)Nc1ccccc1F)[*:1]
Cc1ccccc1Cn1nc(C)c(NC(=O)c2cccc(C(F)(F)F)c2)c1C Cc1ccccc1C[*:1] Cc1nn(c(C)c1NC(=O)c1cccc(c1)C(F)(F)F)[*:1]
Cc1ccccc1Cn1nc(C)c(NC(=O)c2cccc(C(F)(F)F)c2)c1C FC(F)(F)[*:1] Cc1ccccc1Cn1nc(C)c(NC(=O)c2cccc(c2)[*:1])c1C
Cc1ccccc1Cn1nc(C)c(NC(=O)c2cccc(C(F)(F)F)c2)c1C Cc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)c1cccc(c1)C(F)(F)F
COc1cc(N)ccc1SCc1nc(-c2cccs2)no1 c1csc(c1)[*:1] COc1cc(N)ccc1SCc1nc(no1)[*:1]
CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)cc1C#N CC(C)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccc(O[*:1])c(C#N)c1
CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)cc1C#N CC(C)O[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccc(c(C#N)c1)[*:1]
Cc1ccc(N2C[C@H](NC(=O)Cc3ccccc3)CC2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)NC(=O)C[*:1]
Cc1ccc(N2C[C@H](NC(=O)Cc3ccccc3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(Cc1ccccc1)N[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](NC(=O)Cc3ccccc3)CC2=O)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)NC(=O)[*:1]
Cc1ccc(C(=O)NCc2cnc(C)s2)c(NN)c1 Cc1ncc(s1)[*:1] Cc1ccc(C(=O)NC[*:1])c(c1)NN
CC(C)N(CC(N)=S)Cc1cc(F)cc(Br)c1 CC(C)[*:1] NC(=S)CN(Cc1cc(F)cc(Br)c1)[*:1]
CC(C)N(CC(N)=S)Cc1cc(F)cc(Br)c1 NC(=S)[*:1] CC(C)N(Cc1cc(F)cc(Br)c1)C[*:1]
CC(C)N(CC(N)=S)Cc1cc(F)cc(Br)c1 NC(=S)C[*:1] CC(C)N(Cc1cc(F)cc(Br)c1)[*:1]
Cn1c(C2=C(N)N(Cc3ccccc3F)CC2=O)nc2ccccc21 Fc1ccccc1C[*:1] Cn1c(nc2ccccc21)C1C(=O)CN(C=1N)[*:1]
Cn1c(C2=C(N)N(Cc3ccccc3F)CC2=O)nc2ccccc21 Fc1ccccc1[*:1] Cn1c(nc2ccccc21)C1C(=O)CN(C[*:1])C=1N
CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCCCCC1 C1CCCN(CC1)[*:1] CNC(=O)NC(=O)[C@@H](c1ccccc1)[*:1]
CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCCCCC1 CNC(=O)NC(=O)[*:1] c1ccc(cc1)[C@@H](N1CCCCCC1)[*:1]
CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCCCCC1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@@H](N1CCCCCC1)[*:1]
O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(CC1)S(=O)(=O)C=C[*:1]
O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 Clc1cc(Cl)cc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
C[C@@H]([NH2+]CC1(C)COC1)c1ccc2c(c1)NC(=O)CO2 CC1(COC1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc2OCC(=O)Nc2c1
C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2Cl)[C@H](C)C1 Clc1ccccc1[*:1] C[C@H]1CC[C@@H](NC(=O)C(=O)N[*:1])[C@H](C)C1
CCc1cccc(C)c1N1C(=O)C[n+]2ccccc2[C@H]1C(=O)Nc1c(C)cccc1C Cc1cccc(C)c1[*:1] CCc1cccc(C)c1N1C(=O)C[n+]2ccccc2[C@H]1C(=O)N[*:1]
CCc1cccc(C)c1N1C(=O)C[n+]2ccccc2[C@H]1C(=O)Nc1c(C)cccc1C CCc1cccc(C)c1[*:1] Cc1cccc(C)c1NC(=O)[C@@H]1c2cccc[n+]2CC(=O)N1[*:1]
O=S(=O)(/N=C(\[O-])c1cnn(-c2ccc(Cl)cc2)c1)c1cccnc1 Clc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])c1cnn(c1)[*:1])c1cccnc1
O=S(=O)(/N=C(\[O-])c1cnn(-c2ccc(Cl)cc2)c1)c1cccnc1 c1cncc(c1)[*:1] O=S(=O)(/N=C(\[O-])c1cnn(c1)-c1ccc(Cl)cc1)[*:1]
COc1ccc([C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)c(OC)c1 O=[N+]([O-])c1cnn(c1)[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)C[*:1]
COc1ccc([C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)Cn1cc(cn1)[*:1]
NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F NC(=O)CS[*:1] O=c1c2ccccc2nc(n1-c1cc(ccc1C(F)(F)F)C(F)(F)F)[*:1]
NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F FC(F)(F)[*:1] NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(ccc1C(F)(F)F)[*:1]
NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F NC(=O)C[*:1] O=c1c2ccccc2nc(S[*:1])n1-c1cc(ccc1C(F)(F)F)C(F)(F)F
NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F FC(F)(F)[*:1] NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(ccc1[*:1])C(F)(F)F
NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F NC(=O)[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1cc(ccc1C(F)(F)F)C(F)(F)F
CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)Oc2ccccc21 FC(F)(F)[*:1] CCS(=O)(=O)N1C[C@@H](Oc2ccccc21)C(=O)Nc1ccc(Cl)cc1[*:1]
Cc1ccc(C(=O)N[C@H](C)CCC(C)C)c(N)c1 CC(C)[*:1] Cc1ccc(C(=O)N[C@H](C)CC[*:1])c(N)c1
Cc1ccc(C(=O)N[C@H](C)CCC(C)C)c(N)c1 CC(C)C[*:1] Cc1ccc(C(=O)N[C@H](C)C[*:1])c(N)c1
Cc1ccc(C(=O)N[C@H](C)CCC(C)C)c(N)c1 CC(C)CC[*:1] Cc1ccc(C(=O)N[C@H](C)[*:1])c(N)c1
CC(C)(C)c1ccc(NC(=S)NCc2cccs2)cc1 c1csc(c1)[*:1] CC(C)(C)c1ccc(cc1)NC(=S)NC[*:1]
CC(C)(C)c1ccc(NC(=S)NCc2cccs2)cc1 c1csc(c1)C[*:1] CC(C)(C)c1ccc(cc1)NC(=S)N[*:1]
CC(C)(C)c1ccc(NC(=S)NCc2cccs2)cc1 CC(C)(C)[*:1] S=C(NCc1cccs1)Nc1ccc(cc1)[*:1]
CCN(CC)C(=O)CSCc1cc(=O)n2ccccc2n1 CCN(CC)C(=O)[*:1] O=c1cc(CSC[*:1])nc2ccccn12
Cc1ccc(OCC(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])Oc1ccc(cc1)C(=O)Nc1ccccc1
Cc1ccc(OCC(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1 Cc1ccc(cc1)OC[*:1] O=C(Nc1ccccc1)c1ccc(cc1)OC(=O)[*:1]
Cc1ccc(OCC(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1 O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1)OCC(=O)Oc1ccc(cc1)[*:1]
Cc1ccc(OCC(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])Oc1ccc(cc1)C(=O)Nc1ccccc1
Cc1ccc(OCC(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OCC(=O)Oc1ccc(cc1)C(=O)N[*:1]
Cc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCCC2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)NCCC[NH+]1CCCC1
Cc1cc([C@@H](C)NC(=O)c2cccnc2SC(F)F)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H](NC(=O)c1cccnc1SC(F)F)[*:1]
Cc1cc([C@@H](C)NC(=O)c2cccnc2SC(F)F)c(C)s1 FC(F)S[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)c1cccnc1[*:1]
Cc1cc([C@@H](C)NC(=O)c2cccnc2SC(F)F)c(C)s1 FC(F)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)c1cccnc1S[*:1]
COc1cccc([C@@H](CO)NC(=O)c2cccc(NC(=O)C3CC3)c2)c1 C1CC1[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)c1cccc(c1)NC(=O)[*:1]
COc1cccc([C@@H](CO)NC(=O)c2cccc(NC(=O)C3CC3)c2)c1 COc1cccc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1cccc(c1)NC(=O)C1CC1
COc1cccc([C@@H](CO)NC(=O)c2cccc(NC(=O)C3CC3)c2)c1 O=C(N[*:1])C1CC1 COc1cccc(c1)[C@@H](CO)NC(=O)c1cccc(c1)[*:1]
O=C(NC[C@H](CCO)c1ccccc1)c1ccc(-c2ccccc2)cc1 OCC[*:1] O=C(NC[C@H](c1ccccc1)[*:1])c1ccc(cc1)-c1ccccc1
O=C(NC[C@H](CCO)c1ccccc1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NC[C@H](CCO)c1ccccc1)c1ccc(cc1)[*:1]
O=C(NC[C@H](CCO)c1ccccc1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NC[C@H](CCO)[*:1])c1ccc(cc1)-c1ccccc1
Cc1ccc(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)S2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)n2c(nc3ccccc32)S1
CCCn1c([O-])nc2c(C(=O)N3CCC[C@@H](C)C3)snc2c1=O CCC[*:1] C[C@@H]1CCCN(C1)C(=O)c1snc2c(=O)n(c([O-])nc12)[*:1]
C[C@@H](OCc1ccccc1)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 c1ccc(cc1)C[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc2OCC(=O)N(C)c2c1
C[C@@H](OCc1ccccc1)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 c1ccc(cc1)CO[*:1] C[C@@H](C(=O)Nc1ccc2OCC(=O)N(C)c2c1)[*:1]
C[C@@H](OCc1ccccc1)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 c1ccc(cc1)[*:1] C[C@@H](OC[*:1])C(=O)Nc1ccc2OCC(=O)N(C)c2c1
CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1coc(n1)[*:1]
Cc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(c1[*:1])S(N)(=O)=O
Cc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] NS(=O)(=O)[*:1] Cc1cccc(c1[N+](=O)[O-])[*:1]
CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 CC(=O)NC(=S)N[*:1] Cc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 Cc1ccc(cc1Cl)[*:1] CC(=O)NC(=S)Nc1ccc(cc1)NC(=O)[*:1]
O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1nc2nc(Cl)nc(Cl)c2s1 FC(F)(F)[*:1] O=S(=O)(Nc1cccc(c1)[*:1])c1nc2nc(Cl)nc(Cl)c2s1
CN(Cc1nnc2n1CCC2)C(=O)[C@@](C)(N)C(F)(F)F FC(F)(F)[*:1] CN(Cc1nnc2CCCn21)C(=O)[C@@](C)(N)[*:1]
N#CC1(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CCCC1 c1ccc(cc1)[*:1] N#CC1(CCCC1)NC(=O)C1C[C@H](N(N=1)c1ccccc1)[*:1]
N#CC1(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CCCC1 N#CC1(CCCC1)[*:1] O=C(N[*:1])C1C[C@H](c2ccccc2)N(N=1)c1ccccc1
N#CC1(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CCCC1 c1ccc(cc1)[*:1] N#CC1(CCCC1)NC(=O)C1C[C@H](c2ccccc2)N(N=1)[*:1]
Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cc(Br)cc2cccnc12 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1cc(Br)cc2cccnc12)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cc(Br)cc2cccnc12 O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1cc(Br)cc2cccnc12)[*:1]
O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 c1coc(c1)C[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCC[C@H](C1)c1ccn[nH]1
O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 c1cc([nH]n1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)NCc1ccco1)N1CCC[C@@H](C1)[*:1]
O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 c1coc(c1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)NC[*:1])N1CCC[C@H](C1)c1ccn[nH]1
COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)s2)cc1 COc1ccc(cc1)C[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)s2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)Cc1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)s2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)C(=O)Nc1nnc(C[*:1])s1
C=CCNc1nnc(SCc2cc3c(cc2Br)OCO3)s1 C=CC[*:1] Brc1cc2OCOc2cc1CSc1nnc(N[*:1])s1
C=CCNc1nnc(SCc2cc3c(cc2Br)OCO3)s1 C=CCN[*:1] Brc1cc2OCOc2cc1CSc1nnc(s1)[*:1]
NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 NC(=O)Cn1ccnc1[*:1] O=C(c1ccccc1-n1cccn1)N1CCC[C@H](C1)[*:1]
NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 NC(=O)C[*:1] O=C(c1ccccc1-n1cccn1)N1CCC[C@H](C1)c1nccn1[*:1]
NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 c1cnn(c1)[*:1] NC(=O)Cn1ccnc1[C@@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 NC(=O)[*:1] O=C(c1ccccc1-n1cccn1)N1CCC[C@H](C1)c1nccn1C[*:1]
Cn1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] Cn1cccc(NC(=O)C(=O)NC[C@@H](O)[*:1])c1=O
Cn1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1=O Cn1cccc(c1=O)[*:1] O=C(NC[C@@H](O)c1ccc(Cl)cc1)C(=O)N[*:1]
O=C(OCC(=O)N1CCCC1)c1ccccc1OC(F)F FC(F)[*:1] O=C(OCC(=O)N1CCCC1)c1ccccc1O[*:1]
O=C(OCC(=O)N1CCCC1)c1ccccc1OC(F)F FC(F)O[*:1] O=C(OCC(=O)N1CCCC1)c1ccccc1[*:1]
O=C(OCC(=O)N1CCCC1)c1ccccc1OC(F)F O=C(N1CCCC1)[*:1] O=C(OC[*:1])c1ccccc1OC(F)F
Cc1nc(C(C)(C)C)nc2sc(C(=O)NC[C@@H]3CCOC3)c(C)c12 C1C[C@H](CO1)C[*:1] Cc1nc(nc2sc(C(=O)N[*:1])c(C)c12)C(C)(C)C
Cc1nc(C(C)(C)C)nc2sc(C(=O)NC[C@@H]3CCOC3)c(C)c12 C1C[C@H](CO1)[*:1] Cc1nc(nc2sc(C(=O)NC[*:1])c(C)c12)C(C)(C)C
Cc1nc(C(C)(C)C)nc2sc(C(=O)NC[C@@H]3CCOC3)c(C)c12 CC(C)(C)[*:1] Cc1nc(nc2sc(C(=O)NC[C@@H]3CCOC3)c(C)c12)[*:1]
CCN[C@@]1(C#N)CC[C@@H](OC(C)(C)C)C1 CC(C)(C)O[*:1] CCN[C@@]1(C#N)CC[C@@H](C1)[*:1]
CCN[C@@]1(C#N)CC[C@@H](OC(C)(C)C)C1 CCN[*:1] CC(C)(C)O[C@@H]1CC[C@](C#N)(C1)[*:1]
CCN[C@@]1(C#N)CC[C@@H](OC(C)(C)C)C1 CC(C)(C)[*:1] CCN[C@@]1(C#N)CC[C@H](C1)O[*:1]
C[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 NC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)c1ccco1)c2[*:1]
C[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 c1coc(c1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
Cc1cc(NC(=O)c2cc3c([nH]c2=O)CCCC3)ccc1C(N)=O NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1cc2CCCCc2[nH]c1=O
Cc1nc(CNS(=O)(=O)C[C@@H](C)CCl)cs1 C[C@@H](CCl)[*:1] Cc1nc(cs1)CNS(=O)(=O)C[*:1]
Cc1nc(CNS(=O)(=O)C[C@@H](C)CCl)cs1 C[C@@H](CCl)C[*:1] Cc1nc(cs1)CNS(=O)(=O)[*:1]
O=C(CNC(=O)c1ccccn1)NC[C@H]1CCC[C@H]1O c1ccc(nc1)[*:1] O=C(CNC(=O)[*:1])NC[C@H]1CCC[C@H]1O
COc1ccc2oc([C@@H](C)NC(=O)NCc3ncoc3C)c(C)c2c1 Cc1ocnc1C[*:1] COc1ccc2oc(c(C)c2c1)[C@@H](C)NC(=O)N[*:1]
COc1ccc2oc([C@@H](C)NC(=O)NCc3ncoc3C)c(C)c2c1 Cc1ocnc1[*:1] COc1ccc2oc(c(C)c2c1)[C@@H](C)NC(=O)NC[*:1]
C=CCCC[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 C=CCC[*:1] C[C@H](C[*:1])[NH+]1CCN(CC1)C(=O)C[NH+](C)C
C=CCCC[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 C=CC[*:1] C[C@H](CC[*:1])[NH+]1CCN(CC1)C(=O)C[NH+](C)C
C=CCCC[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 C=CCCC[*:1] C[C@@H]([NH+]1CCN(CC1)C(=O)C[NH+](C)C)[*:1]
CN(CC(=O)NCC1CC1)[C@H](C(N)=O)c1cccc(Br)c1 NC(=O)[*:1] CN(CC(=O)NCC1CC1)[C@H](c1cccc(Br)c1)[*:1]
CN(CC(=O)NCC1CC1)[C@H](C(N)=O)c1cccc(Br)c1 O=C(NCC1CC1)[*:1] CN(C[*:1])[C@H](C(N)=O)c1cccc(Br)c1
CN(CC(=O)NCC1CC1)[C@H](C(N)=O)c1cccc(Br)c1 C1CC1C[*:1] CN(CC(=O)N[*:1])[C@H](C(N)=O)c1cccc(Br)c1
CN(CC(=O)NCC1CC1)[C@H](C(N)=O)c1cccc(Br)c1 C1CC1[*:1] CN(CC(=O)NC[*:1])[C@H](C(N)=O)c1cccc(Br)c1
CN(CC(=O)NCC1CC1)[C@H](C(N)=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CN(CC(=O)NCC1CC1)[C@H](C(N)=O)[*:1]
O=C(NCCC(=O)N1CCCC1)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)C[*:1] O=C(NCCC(=O)N1CCCC1)Nc1cccc(c1)O[*:1]
O=C(NCCC(=O)N1CCCC1)Nc1cccc(OCC(F)(F)F)c1 O=C(C[*:1])N1CCCC1 O=C(NC[*:1])Nc1cccc(c1)OCC(F)(F)F
O=C(NCCC(=O)N1CCCC1)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCCC(=O)N1CCCC1)Nc1cccc(c1)OC[*:1]
O=C(NCCC(=O)N1CCCC1)Nc1cccc(OCC(F)(F)F)c1 O=C(N1CCCC1)[*:1] O=C(NCC[*:1])Nc1cccc(c1)OCC(F)(F)F
O=C(NCCC(=O)N1CCCC1)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] O=C(NCCC(=O)N1CCCC1)Nc1cccc(c1)[*:1]
CCN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)CN1C(=O)NC2(CCC(CC2)C(C)(C)C)C1=O)[*:1]
CCN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)C1CCCCC1 CC(C)(C)[*:1] CCN(C(=O)CN1C(=O)NC2(CCC(CC2)[*:1])C1=O)C1CCCCC1
COc1ccc(OC)c([C@H]2CCCN2C(=O)NCc2ccc(Cl)nc2)c1 Clc1ccc(cn1)[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)NC[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)NCc2ccc(Cl)nc2)c1 Clc1ccc(cn1)C[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)N[*:1]
CCc1noc(CN2CC[NH+](CCC(C)C)CC2)n1 CC(C)C[*:1] CCc1noc(CN2CC[NH+](CC2)C[*:1])n1
CCc1noc(CN2CC[NH+](CCC(C)C)CC2)n1 CC(C)CC[*:1] CCc1noc(CN2CC[NH+](CC2)[*:1])n1
CCc1noc(CN2CC[NH+](CCC(C)C)CC2)n1 CC(C)[*:1] CCc1noc(CN2CC[NH+](CC2)CC[*:1])n1
C/[NH+]=C(/NCc1ccoc1C)NC1CCC(C)CC1 Cc1occc1[*:1] C/[NH+]=C(/NC[*:1])NC1CCC(C)CC1
O=c1[nH]cnc2cc(NCc3ccc4c(c3)OCCO4)c([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=c1[nH]cnc2cc(NCc3ccc4OCCOc4c3)c(cc12)[*:1]
Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccn1 c1ccc(nc1)[*:1] Nn1c(nnc1[*:1])SCc1ccc(F)cc1
Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccn1 Fc1ccc(cc1)[*:1] Nn1c(nnc1-c1ccccn1)SC[*:1]
CC[C@H]([NH3+])[C@H](Sc1cc2ccccc2[nH]1)c1cccnc1 c1cncc(c1)[*:1] CC[C@H]([NH3+])[C@H](Sc1cc2ccccc2[nH]1)[*:1]
O=C1N[C@@H](c2cccc(OC(F)(F)F)c2)N2CCCC[C@@H]12 FC(F)(F)O[*:1] O=C1N[C@@H](c2cccc(c2)[*:1])N2CCCC[C@@H]12
O=C1N[C@@H](c2cccc(OC(F)(F)F)c2)N2CCCC[C@@H]12 FC(F)(F)[*:1] O=C1N[C@@H](c2cccc(c2)O[*:1])N2CCCC[C@@H]12
Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 OCC[*:1] Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@H]([C@@H](C1)C[*:1])N1CC[NH+](C)CC1
Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 Cc1n[nH]c(C)c1C[*:1] C[NH+]1CCN(CC1)[C@H]1CCN(C[C@H]1CCCO)C(=O)C[*:1]
Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 Cc1n[nH]c(C)c1CC[*:1] C[NH+]1CCN(CC1)[C@H]1CCN(C[C@H]1CCCO)C(=O)[*:1]
Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 Cc1n[nH]c(C)c1[*:1] C[NH+]1CCN(CC1)[C@H]1CCN(C[C@H]1CCCO)C(=O)CC[*:1]
Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 OCCC[*:1] Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@H]([C@H](C1)[*:1])N1CC[NH+](C)CC1
NC(=O)C[C@H]1Nc2cccc3cccc(c23)N=C1O NC(=O)[*:1] OC1=Nc2cccc3cccc(N[C@@H]1C[*:1])c23
NC(=O)C[C@H]1Nc2cccc3cccc(c23)N=C1O NC(=O)C[*:1] OC1=Nc2cccc3cccc(N[C@@H]1[*:1])c23
CC(=O)Nc1cccc(NCc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 CC(=O)N[*:1] c1cc(cc(c1)[*:1])NCc1c[nH]nc1-c1ccc2OCCOc2c1
C[C@@H]([NH2+]CC1(CO)COC1)c1ccc(-c2cccs2)cc1 OCC1(COC1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(cc1)-c1cccs1
C[C@@H]([NH2+]CC1(CO)COC1)c1ccc(-c2cccs2)cc1 c1csc(c1)[*:1] C[C@@H]([NH2+]CC1(CO)COC1)c1ccc(cc1)[*:1]
COc1ccc2c(c1)=C[C@H](CN(C(=O)COc1ccccc1)c1ccccc1)C(=O)[NH+]=2 c1ccc(cc1)OC[*:1] COc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C(=O)[*:1])c1ccccc1
COc1ccc2c(c1)=C[C@H](CN(C(=O)COc1ccccc1)c1ccccc1)C(=O)[NH+]=2 c1ccc(cc1)O[*:1] COc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C(=O)C[*:1])c1ccccc1
COc1ccc2c(c1)=C[C@H](CN(C(=O)COc1ccccc1)c1ccccc1)C(=O)[NH+]=2 c1ccc(cc1)[*:1] COc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C(=O)COc1ccccc1)[*:1]
COc1ccc2c(c1)=C[C@H](CN(C(=O)COc1ccccc1)c1ccccc1)C(=O)[NH+]=2 c1ccc(cc1)[*:1] COc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C(=O)CO[*:1])c1ccccc1
Cc1ccnc(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)c1 Cc1ccnc(c1)[*:1] Cc1c(Br)c(nn1[C@@H](C)C(=O)N[*:1])C(F)(F)F
Cc1ccnc(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)c1 FC(F)(F)[*:1] Cc1ccnc(c1)NC(=O)[C@H](C)n1nc(c(Br)c1C)[*:1]
CCn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2c(C)nc3sccn23)cn1 CCn1cc(cn1)[*:1] Cc1nc2sccn2c1C[NH2+]C[C@H]1CCO[C@@H]1[*:1]
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(Cl)ccc2Cl)c1 Clc1ccc(Cl)c(c1)[*:1] CCN(CC)S(=O)(=O)c1ccc(C)c(c1)C(=O)N[*:1]
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(Cl)ccc2Cl)c1 CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1C(=O)Nc1cc(Cl)ccc1Cl)[*:1]
CCc1noc(C)c1NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 CCc1noc(C)c1[*:1] O=C(N[*:1])N1CC[C@H](C1)Oc1cccc(Cl)c1
CCc1noc(C)c1NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)O[*:1] CCc1noc(C)c1NC(=O)N1CC[C@@H](C1)[*:1]
CCc1noc(C)c1NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CCc1noc(C)c1NC(=O)N1CC[C@H](C1)O[*:1]
CN(Cc1ccc(Br)o1)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 Brc1ccc(o1)[*:1] CN(C[*:1])c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
CN(Cc1ccc(Br)o1)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 CC(C)(C)[*:1] CN(Cc1ccc(Br)o1)c1nc2c(cnn2[*:1])c(=O)[nH]1
CN(Cc1ccc(Br)o1)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 Brc1ccc(C[*:1])o1 CN(c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)[*:1]
C[C@@]1(c2noc([C@H]3CCCCC3=O)n2)CCCO1 C[C@]1(CCCO1)[*:1] O=C1CCCC[C@@H]1c1nc(no1)[*:1]
CC(C)NC(=S)N1CCN(c2ccc(F)cc2)CC1 CC(C)[*:1] Fc1ccc(cc1)N1CCN(CC1)C(=S)N[*:1]
COC(=O)c1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 COC(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)C(c1ccccc1)c1ccccc1
COC(=O)c1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)[*:1]
COC(=O)c1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccccc1)[*:1]
Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[*:1]
Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCc1ccc2c(c1)OCO2 Cc1c(Cl)cccc1[*:1] O=C(CSc1nccn1[*:1])NCc1ccc2OCOc2c1
C[C@H](NCc1cn(C)nc1C(F)(F)F)c1cnccn1 FC(F)(F)[*:1] C[C@H](NCc1cn(C)nc1[*:1])c1cnccn1
C[C@H](NCc1cn(C)nc1C(F)(F)F)c1cnccn1 c1cnc(cn1)[*:1] C[C@H](NCc1cn(C)nc1C(F)(F)F)[*:1]
Cc1cc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(C)n1C Cc1cc(c(C)n1C)[*:1] O=C(CNC(=O)C1CCCCC1)OCC(=O)[*:1]
Cc1cc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(C)n1C C1CCC(CC1)[*:1] Cc1cc(C(=O)COC(=O)CNC(=O)[*:1])c(C)n1C
O=C(COC(=O)COc1ccc(Br)cc1)Nc1ccc2ccccc2c1 Brc1ccc(cc1)O[*:1] O=C(COC(=O)C[*:1])Nc1ccc2ccccc2c1
O=C(COC(=O)COc1ccc(Br)cc1)Nc1ccc2ccccc2c1 Brc1ccc(cc1)[*:1] O=C(COC(=O)CO[*:1])Nc1ccc2ccccc2c1
CCNC(=O)c1ccc(NCc2cc(=O)n3cccc(C)c3[nH+]2)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NCc1cc(=O)n2cccc(C)c2[nH+]1)[*:1]
CC(C)(C)O[C@H](C(=O)NCC1(c2ccncc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)O[C@H](C(=O)NCC1(CC1)c1ccncc1)[*:1]
CC(C)(C)O[C@H](C(=O)NCC1(c2ccncc2)CC1)c1ccccc1 CC(C)(C)[*:1] O=C(NCC1(CC1)c1ccncc1)[C@@H](O[*:1])c1ccccc1
CC(C)(C)O[C@H](C(=O)NCC1(c2ccncc2)CC1)c1ccccc1 CC(C)(C)O[*:1] O=C(NCC1(CC1)c1ccncc1)[C@H](c1ccccc1)[*:1]
CC(C)(C)O[C@H](C(=O)NCC1(c2ccncc2)CC1)c1ccccc1 c1cc(ccn1)[*:1] CC(C)(C)O[C@H](C(=O)NCC1(CC1)[*:1])c1ccccc1
COc1cccc(Cn2c(=O)n(CCC(=O)N3CCCCC3)c(=O)c3sccc32)c1 O=C(N1CCCCC1)[*:1] COc1cccc(c1)Cn1c(=O)n(CC[*:1])c(=O)c2sccc21
COc1cccc(Cn2c(=O)n(CCC(=O)N3CCCCC3)c(=O)c3sccc32)c1 COc1cccc(c1)[*:1] O=C(CCn1c(=O)c2sccc2n(C[*:1])c1=O)N1CCCCC1
COc1cccc(Cn2c(=O)n(CCC(=O)N3CCCCC3)c(=O)c3sccc32)c1 O=C(C[*:1])N1CCCCC1 COc1cccc(c1)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
COc1cccc(Cn2c(=O)n(CCC(=O)N3CCCCC3)c(=O)c3sccc32)c1 O=C(CC[*:1])N1CCCCC1 COc1cccc(c1)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
COc1cccc(Cn2c(=O)n(CCC(=O)N3CCCCC3)c(=O)c3sccc32)c1 COc1cccc(c1)C[*:1] O=C(CCn1c(=O)c2sccc2n(c1=O)[*:1])N1CCCCC1
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1c2ccccc2NC(=O)C1(C)C O=[N+]([O-])c1ncccc1[*:1] C[C@@H](O[*:1])C(=O)N1c2ccccc2NC(=O)C1(C)C
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1c2ccccc2NC(=O)C1(C)C O=[N+]([O-])[*:1] C[C@@H](Oc1cccnc1[*:1])C(=O)N1c2ccccc2NC(=O)C1(C)C
CC[C@H](C)CN(CC)S(=O)(=O)c1cc(F)ccc1N CC[C@H](C)C[*:1] CCN(S(=O)(=O)c1cc(F)ccc1N)[*:1]
CC[C@H](C)CN(CC)S(=O)(=O)c1cc(F)ccc1N CC[C@H](C)[*:1] CCN(C[*:1])S(=O)(=O)c1cc(F)ccc1N
Cc1ccc(NCc2cc(=O)n3cccc(C)c3n2)cc1-n1cnnn1 c1nnnn1[*:1] Cc1ccc(cc1[*:1])NCc1cc(=O)n2cccc(C)c2n1
C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(F)cc1 C1CC(CCO1)[*:1] C[C@H]([NH2+]C[C@H](O)[*:1])c1ccc(F)cc1
COC(=O)[C@](C)(c1ccccn1)N(C)S(=O)(=O)c1cccc(F)c1 c1ccc(nc1)[*:1] COC(=O)[C@](C)(N(C)S(=O)(=O)c1cccc(F)c1)[*:1]
COC(=O)[C@](C)(c1ccccn1)N(C)S(=O)(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] COC(=O)[C@](C)(c1ccccn1)N(C)S(=O)(=O)[*:1]
COC(=O)[C@](C)(c1ccccn1)N(C)S(=O)(=O)c1cccc(F)c1 COC(=O)[*:1] CN([C@](C)(c1ccccn1)[*:1])S(=O)(=O)c1cccc(F)c1
Cc1nncn1CCNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 Cc1nncn1CC[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)N[*:1]
Cc1nncn1CCNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)OC(=O)[*:1] Cc1nncn1CCNC(=O)c1cccc(c1)[*:1]
Cc1nncn1CCNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 Cc1nncn1[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)NCC[*:1]
Cc1nncn1CCNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1nncn1CCNC(=O)c1cccc(c1)C(=O)O[*:1]
Cc1nncn1CCNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 Cc1nncn1C[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)NC[*:1]
CCOc1cc(/C=C(/CO)C(C)C)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(/C=C(/CO)C(C)C)cc1[*:1]
CCOc1cc(/C=C(/CO)C(C)C)cc(Cl)c1OC CC(C)[*:1] CCOc1cc(/C=C(/CO)[*:1])cc(Cl)c1OC
N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)NC[*:1]
N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)NCc1ccccc1 c1cncc(c1)CO[*:1] N#C/C(=C\c1ccccc1[*:1])C(=O)NCc1ccccc1
N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)NCc1ccccc1 c1cncc(c1)[*:1] N#C/C(=C\c1ccccc1OC[*:1])C(=O)NCc1ccccc1
N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)NCc1ccccc1 c1cncc(c1)C[*:1] N#C/C(=C\c1ccccc1O[*:1])C(=O)NCc1ccccc1
N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)N[*:1]
CSc1ncc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)n1-c1ccc(F)cc1 C1CC1[*:1] CSc1ncc(C(=O)Nc2cccc(c2)-c2nnnn2[*:1])n1-c1ccc(F)cc1
CSc1ncc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)n1-c1ccc(F)cc1 C1CC1n1nnnc1[*:1] CSc1ncc(C(=O)Nc2cccc(c2)[*:1])n1-c1ccc(F)cc1
CSc1ncc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1ncc(C(=O)Nc2cccc(c2)-c2nnnn2C2CC2)n1[*:1]
C[C@@H](CCO)CNC(=O)[C@H]1C=C[C@@H]([NH3+])C1 C[C@@H](CCO)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)NC[*:1]
C[C@@H](CCO)CNC(=O)[C@H]1C=C[C@@H]([NH3+])C1 OCC[*:1] C[C@@H](CNC(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
C/C=C/COC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 CC=C[*:1] O=C(OC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1
C/C=C/COC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 C/C=C/COC(=O)[*:1] O=S(=O)(c1ccc(F)c(F)c1)N1CCC(CC1)[*:1]
C/C=C/COC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] C/C=C/COC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
C/C=C/COC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 C/C=C/C[*:1] O=C(O[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1
COc1cccc([C@H]2CCCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1CCCCN(C[*:1])C1=O
COc1cccc([C@H]2CCCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)[C@H]1CCCCN(C1=O)[*:1]
Cc1cc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)c[nH]c1=O Cc1cc(c[nH]c1=O)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)N[*:1]
Cc1cc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)c[nH]c1=O c1cnc(nc1)[*:1] Cc1cc(c[nH]c1=O)NC(=O)NC[C@H]1CCCN(C1)[*:1]
O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1)[C@@H]1CCCO1 O=C(N[*:1])[C@@H]1CCCO1 Oc1ccc(Cl)cc1/C=N/c1ccc(cc1)[*:1]
O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1)[C@@H]1CCCO1 Oc1ccc(Cl)cc1[*:1] O=C(Nc1ccc(cc1)N=C[*:1])[C@@H]1CCCO1
C[C@@H]1CCC[C@H](NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)[C@@H]1C O=[N+]([O-])c1cccc(c1)[*:1] C[C@@H]1CCC[C@H](NC(=O)Cn2nc(ccc2=O)[*:1])[C@@H]1C
C[C@@H]1CCC[C@H](NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)[C@@H]1C O=[N+]([O-])[*:1] C[C@@H]1CCC[C@H](NC(=O)Cn2nc(ccc2=O)-c2cccc(c2)[*:1])[C@@H]1C
N#CCOc1cccc(CC(=O)Nc2c(F)cccc2F)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])Nc1c(F)cccc1F
N#CCOc1cccc(CC(=O)Nc2c(F)cccc2F)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])Nc1c(F)cccc1F
COC(=O)c1ccccc1NC(=O)N1CCC[C@H](C(=O)c2sccc2C)C1 Cc1ccsc1[*:1] COC(=O)c1ccccc1NC(=O)N1CCC[C@@H](C1)C(=O)[*:1]
COC(=O)c1ccccc1NC(=O)N1CCC[C@H](C(=O)c2sccc2C)C1 COC(=O)[*:1] Cc1ccsc1C(=O)[C@H]1CCCN(C1)C(=O)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NC(=O)N1CCC[C@H](C(=O)c2sccc2C)C1 Cc1ccsc1C(=O)[*:1] COC(=O)c1ccccc1NC(=O)N1CCC[C@H](C1)[*:1]
O=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)N[*:1]
O=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=S1(=O)c2ccc(Cl)cc2C(=NN1C[*:1])c1ccccc1
O=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CN1N=C(c2cc(Cl)ccc2S1(=O)=O)[*:1])Nc1ccc(F)cc1
COC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 c1ccc(cc1)[*:1] COC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1]
COC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 COC(=O)[*:1] Cc1cccc(c1)[C@H]1N[C@@](C)([C@H]2C(=O)N(C(=O)[C@H]12)c1ccccc1)[*:1]
COC(=O)[C@]1(C)N[C@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 Cc1cccc(c1)[*:1] COC(=O)[C@]1(C)N[C@H]([C@H]2C(=O)N(C(=O)[C@@H]21)c1ccccc1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)Oc3cc(C)ccc3Cl)cc2C[C@@H]1C Cc1ccc(Cl)c(c1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)O[*:1]
C[C@@H](CC(=O)N(C)C1CCS(=O)(=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)N(C)C1CCS(=O)(=O)CC1)[*:1]
CC(C)C[C@@](C)(O)C[NH2+][C@@H](C)c1ccoc1 CC(C)[*:1] C[C@H]([NH2+]C[C@](C)(O)C[*:1])c1ccoc1
CC(C)C[C@@](C)(O)C[NH2+][C@@H](C)c1ccoc1 CC(C)C[*:1] C[C@H]([NH2+]C[C@@](C)(O)[*:1])c1ccoc1
CC(C)C[C@@](C)(O)C[NH2+][C@@H](C)c1ccoc1 c1cc(co1)[*:1] CC(C)C[C@@](C)(O)C[NH2+][C@@H](C)[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] CC(=O)N1CCc2ccccc2[C@@H]1C(=O)N[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1C(=O)NCc1cccnc1 c1cncc(c1)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1C(=O)NC[*:1]
C[NH2+]Cc1cnn(Cc2ccc([N+](=O)[O-])c(F)c2)c1 O=[N+]([O-])[*:1] C[NH2+]Cc1cnn(c1)Cc1ccc(c(F)c1)[*:1]
COC(=O)c1ccc(C[NH+](C)C2CCS(=O)CC2)cc1 COC(=O)[*:1] C[NH+](Cc1ccc(cc1)[*:1])C1CCS(=O)CC1
C[C@H](Cc1ccco1)NC(=O)c1ccc(NC(=O)c2nsc3ccccc23)cc1 c1coc(c1)[*:1] C[C@H](C[*:1])NC(=O)c1ccc(cc1)NC(=O)c1nsc2ccccc12
C[C@H](Cc1ccco1)NC(=O)c1ccc(NC(=O)c2nsc3ccccc23)cc1 c1ccc2c(nsc2c1)[*:1] C[C@H](Cc1ccco1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@H](Cc1ccco1)NC(=O)c1ccc(NC(=O)c2nsc3ccccc23)cc1 c1coc(c1)C[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)c1nsc2ccccc12)[*:1]
Cc1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@@H]2OC2CCCC2)[nH+]1 C1CCC(C1)O[*:1] Cc1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@H]2[*:1])[nH+]1
Cc1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@@H]2OC2CCCC2)[nH+]1 C1CCC(C1)[*:1] Cc1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@@H]2O[*:1])[nH+]1
O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(OCc1ccc(cc1)[N+](=O)[O-])C1(CCOCC1)[*:1]
O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CCOCC1 O=[N+]([O-])[*:1] O=C(OCc1ccc(cc1)[*:1])C1(CCOCC1)c1ccccc1
CC[C@@H](C)NC(=O)CSc1ccc2c(c1)OCCO2 CC[C@@H](C)[*:1] O=C(CSc1ccc2OCCOc2c1)N[*:1]
O=C(CSC1[NH+]=c2ccccc2=[NH+]1)N[C@H]1Nc2ccc([N+](=O)[O-])cc2S1 O=[N+]([O-])[*:1] O=C(CSC1[NH+]=c2ccccc2=[NH+]1)N[C@H]1Nc2ccc(cc2S1)[*:1]
CCn1c(SCCS(C)(=O)=O)nnc1-c1ccco1 CS(=O)(=O)CC[*:1] CCn1c(nnc1-c1ccco1)S[*:1]
CCn1c(SCCS(C)(=O)=O)nnc1-c1ccco1 CS(=O)(=O)[*:1] CCn1c(nnc1-c1ccco1)SCC[*:1]
CCn1c(SCCS(C)(=O)=O)nnc1-c1ccco1 CS(=O)(=O)C[*:1] CCn1c(nnc1-c1ccco1)SC[*:1]
CCn1c(SCCS(C)(=O)=O)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCCS(C)(=O)=O
O=C(NCc1ccc(OCc2cccnc2)cc1)NCc1ccco1 c1coc(c1)[*:1] O=C(NCc1ccc(cc1)OCc1cccnc1)NC[*:1]
O=C(NCc1ccc(OCc2cccnc2)cc1)NCc1ccco1 c1cncc(c1)CO[*:1] O=C(NCc1ccc(cc1)[*:1])NCc1ccco1
O=C(NCc1ccc(OCc2cccnc2)cc1)NCc1ccco1 c1cncc(c1)C[*:1] O=C(NCc1ccc(cc1)O[*:1])NCc1ccco1
O=C(NCc1ccc(OCc2cccnc2)cc1)NCc1ccco1 c1cncc(c1)[*:1] O=C(NCc1ccc(cc1)OC[*:1])NCc1ccco1
O=C(NCc1ccc(OCc2cccnc2)cc1)NCc1ccco1 c1coc(c1)C[*:1] O=C(NCc1ccc(cc1)OCc1cccnc1)N[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(Cl)s1 CCC[*:1] C[C@@H](NC(=O)[C@H]1CCCN1C(=O)[*:1])c1ccc(Cl)s1
CCCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)[*:1]
O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(s1)[*:1]
Cc1ccc(C(F)(F)F)cc1N1CC[NH2+]C[C@@H]1C(C)C CC(C)[*:1] Cc1ccc(cc1N1CC[NH2+]C[C@H]1[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)cc1N1CC[NH2+]C[C@@H]1C(C)C FC(F)(F)[*:1] Cc1ccc(cc1N1CC[NH2+]C[C@@H]1C(C)C)[*:1]
Brc1c[nH]c(-c2nc(-c3cccs3)no2)c1 c1csc(c1)[*:1] Brc1c[nH]c(c1)-c1nc(no1)[*:1]
C=CCN(CC(=O)[O-])C(=O)c1sc(N)nc1C O=C([O-])[*:1] C=CCN(C[*:1])C(=O)c1sc(N)nc1C
C=CCN(CC(=O)[O-])C(=O)c1sc(N)nc1C C=CC[*:1] Cc1nc(N)sc1C(=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])C(=O)c1sc(N)nc1C O=C([O-])C[*:1] C=CCN(C(=O)c1sc(N)nc1C)[*:1]
Cc1ccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4ccccc4F)cc3)[C@H]2C(=O)NC2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)[C@H]1OC(=O)N(C[*:1])[C@@H]1C(=O)NC1CC1)c1ccccc1F
Cc1ccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4ccccc4F)cc3)[C@H]2C(=O)NC2CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)[C@H]1OC(=O)N([C@@H]1C(=O)NC1CC1)[*:1])c1ccccc1F
Cc1ccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4ccccc4F)cc3)[C@H]2C(=O)NC2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)CN1C(=O)O[C@H](c2ccc(cc2)NC(=O)c2ccccc2F)[C@H]1C(=O)N[*:1]
Cc1ccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4ccccc4F)cc3)[C@H]2C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)CN1C(=O)O[C@H](c2ccc(cc2)NC(=O)c2ccccc2F)[C@@H]1[*:1]
Cc1ccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4ccccc4F)cc3)[C@H]2C(=O)NC2CC2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)CN1C(=O)O[C@H](c2ccc(cc2)NC(=O)[*:1])[C@H]1C(=O)NC1CC1
Cc1ccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4ccccc4F)cc3)[C@H]2C(=O)NC2CC2)cc1 O=C(N[*:1])c1ccccc1F Cc1ccc(cc1)CN1C(=O)O[C@H](c2ccc(cc2)[*:1])[C@H]1C(=O)NC1CC1
CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc(-c3cccs3)n2)cc1 CCO[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@@H]1Cn1nnc(n1)-c1cccs1
CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc(-c3cccs3)n2)cc1 CCOc1ccc(cc1)[*:1] O=C(N1CCC[C@@H]1Cn1nnc(n1)-c1cccs1)[*:1]
CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2nnc(-c3cccs3)n2)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)C(=O)N1CCC[C@@H]1Cn1nnc(n1)[*:1]
CCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(OC)cc3)sc2c1 COc1ccc(cc1)[*:1] CCOc1ccc2nc(NC(=O)CS(=O)(=O)[*:1])sc2c1
CCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(OC)cc3)sc2c1 CCO[*:1] COc1ccc(cc1)S(=O)(=O)CC(=O)Nc1nc2ccc(cc2s1)[*:1]
COC(=O)[C@H]1CCCN1C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 COC(=O)[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)N1CCC[C@@H]1[*:1]
O=C([O-])[C@@H]1CNc2ccccc2C1 O=C([O-])[*:1] c1ccc2NC[C@H](Cc2c1)[*:1]
CC[C@@H](C)C[S@](=O)Cc1noc(C(C)C)n1 CC(C)[*:1] CC[C@@H](C)C[S@](=O)Cc1noc(n1)[*:1]
CC[C@@H](C)C[S@](=O)Cc1noc(C(C)C)n1 CC[C@@H](C)C[*:1] CC(C)c1nc(C[S@@](=O)[*:1])no1
CC[C@@H](C)C[S@](=O)Cc1noc(C(C)C)n1 CC[C@@H](C)[*:1] CC(C)c1nc(C[S@@](=O)C[*:1])no1
C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(Cc2ccccn2)CC1 Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N1CCN(CC1)Cc1ccccn1
C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(Cc2ccccn2)CC1 c1ccc(nc1)[*:1] C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)C[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(Cc2ccccn2)CC1 Clc1cccc(c1)O[*:1] C[C@@H](C(=O)N1CCN(CC1)Cc1ccccn1)[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)[*:1]
CC(C)Cn1ncc(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)c1C1CC1 C1CC1[*:1] CC(C)Cn1ncc(C(=O)N[C@H](C)c2ccc(cc2)NC(N)=O)c1[*:1]
CC(C)Cn1ncc(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)c1C1CC1 CC(C)C[*:1] C[C@@H](NC(=O)c1cnn(c1C1CC1)[*:1])c1ccc(cc1)NC(N)=O
CC(C)Cn1ncc(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)c1C1CC1 NC(=O)N[*:1] CC(C)Cn1ncc(C(=O)N[C@H](C)c2ccc(cc2)[*:1])c1C1CC1
CC(C)Cn1ncc(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)c1C1CC1 CC(C)[*:1] C[C@@H](NC(=O)c1cnn(C[*:1])c1C1CC1)c1ccc(cc1)NC(N)=O
CC[C@@H](CCO)CNc1cc(C)ccc1N OCC[*:1] CC[C@@H](CNc1cc(C)ccc1N)[*:1]
Cc1noc(C)c1CCC(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 Cc1noc(C)c1[*:1] O=C(CC[*:1])N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2
Cc1noc(C)c1CCC(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 Cc1noc(C)c1CC[*:1] O=C(N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)[*:1]
Cc1noc(C)c1CCC(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 Cc1noc(C)c1C[*:1] O=C(C[*:1])N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2
O=C(CSc1nncs1)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(CSc1nncs1)N[C@H](c1ccccc1)[*:1]
O=C(CSc1nncs1)N[C@H](c1ccccc1)c1ccccn1 c1nnc(s1)[*:1] O=C(CS[*:1])N[C@H](c1ccccc1)c1ccccn1
O=C(CSc1nncs1)N[C@H](c1ccccc1)c1ccccn1 c1nnc(SC[*:1])s1 O=C(N[C@H](c1ccccc1)c1ccccn1)[*:1]
O=C(CSc1nncs1)N[C@H](c1ccccc1)c1ccccn1 c1nnc(S[*:1])s1 O=C(C[*:1])N[C@H](c1ccccc1)c1ccccn1
O=C(CSc1nncs1)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(CSc1nncs1)N[C@H](c1ccccn1)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)C(=O)Nc2ccc(F)cc2F)n1 Fc1ccc(c(F)c1)[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)C(=O)N[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)C(=O)Nc2ccc(F)cc2F)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1F)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)C(=O)Nc2ccc(F)cc2F)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1F)C[*:1]
COc1ccc2[nH]cc(C(=O)N3CC[C@H](NC(=O)c4ccccc4)C3)c2n1 c1ccc(cc1)[*:1] COc1ccc2[nH]cc(C(=O)N3CC[C@@H](C3)NC(=O)[*:1])c2n1
COc1ccc2[nH]cc(C(=O)N3CC[C@H](NC(=O)c4ccccc4)C3)c2n1 O=C(N[*:1])c1ccccc1 COc1ccc2[nH]cc(C(=O)N3CC[C@H](C3)[*:1])c2n1
CC1=NN(C)C(=O)[C@@H]1[C@]1([C@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)N(c2ccccc2)N=C1C c1ccc(cc1)[*:1] CC1=NN(C)C(=O)[C@@H]1[C@@]1(C(=O)N(N=C1C)c1ccccc1)[C@H]1C(=O)N(N=C1C)[*:1]
CC1=NN(C)C(=O)[C@@H]1[C@]1([C@H]2C(=O)N(c3ccccc3)N=C2C)C(=O)N(c2ccccc2)N=C1C c1ccc(cc1)[*:1] CC1=NN(C)C(=O)[C@@H]1[C@@]1(C(=O)N(N=C1C)[*:1])[C@H]1C(=O)N(N=C1C)c1ccccc1
CCc1ccccc1NC(=O)c1c(C)nn(Cc2ccccc2)c1C CCc1ccccc1[*:1] Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[*:1]
CCc1ccccc1NC(=O)c1c(C)nn(Cc2ccccc2)c1C c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)c1c(C)nn(C[*:1])c1C
CCc1ccccc1NC(=O)c1c(C)nn(Cc2ccccc2)c1C c1ccc(cc1)C[*:1] CCc1ccccc1NC(=O)c1c(C)nn(c1C)[*:1]
O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)C1CN(S(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)C1CN(C1)S(=O)(=O)[*:1]
CC(C)C[C@@H](C(N)=O)N1CC(=O)NC(=O)C1 CC(C)[*:1] NC(=O)[C@H](C[*:1])N1CC(=O)NC(=O)C1
CC(C)C[C@@H](C(N)=O)N1CC(=O)NC(=O)C1 NC(=O)[*:1] CC(C)C[C@@H](N1CC(=O)NC(=O)C1)[*:1]
CC(C)C[C@@H](C(N)=O)N1CC(=O)NC(=O)C1 CC(C)C[*:1] NC(=O)[C@@H](N1CC(=O)NC(=O)C1)[*:1]
O=C([O-])C1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 FC(F)(F)[*:1] O=C([O-])C1CCN(CC1)c1cc(cc(Cl)n1)[*:1]
O=C([O-])C1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 O=C([O-])[*:1] FC(F)(F)c1cc(Cl)nc(c1)N1CCC(CC1)[*:1]
C[C@H]1C[C@H](NC(=O)Cn2ccnc2)CN1c1ccccc1 c1cn(cn1)[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)C[*:1]
C[C@H]1C[C@H](NC(=O)Cn2ccnc2)CN1c1ccccc1 c1cn(cn1)C[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)[*:1]
C[C@H]1C[C@H](NC(=O)Cn2ccnc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1[*:1])NC(=O)Cn1ccnc1
N#Cc1cc(NC(=O)NCCC(N)=O)ccc1OCC(F)(F)F NC(=O)CC[*:1] N#Cc1cc(ccc1OCC(F)(F)F)NC(=O)N[*:1]
N#Cc1cc(NC(=O)NCCC(N)=O)ccc1OCC(F)(F)F FC(F)(F)C[*:1] N#Cc1cc(ccc1O[*:1])NC(=O)NCCC(N)=O
N#Cc1cc(NC(=O)NCCC(N)=O)ccc1OCC(F)(F)F NC(=O)C[*:1] N#Cc1cc(ccc1OCC(F)(F)F)NC(=O)NC[*:1]
N#Cc1cc(NC(=O)NCCC(N)=O)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] N#Cc1cc(ccc1[*:1])NC(=O)NCCC(N)=O
N#Cc1cc(NC(=O)NCCC(N)=O)ccc1OCC(F)(F)F NC(=O)[*:1] N#Cc1cc(ccc1OCC(F)(F)F)NC(=O)NCC[*:1]
N#Cc1cc(NC(=O)NCCC(N)=O)ccc1OCC(F)(F)F FC(F)(F)[*:1] N#Cc1cc(ccc1OC[*:1])NC(=O)NCCC(N)=O
Nc1c2c(nc[n+]1CCO)Oc1cc(O)ccc1[C@H]2c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nc1c2c(nc[n+]1CCO)Oc1cc(O)ccc1[C@@H]2[*:1]
Nc1c2c(nc[n+]1CCO)Oc1cc(O)ccc1[C@H]2c1ccc(Cl)cc1 OCC[*:1] Nc1c2c(nc[n+]1[*:1])Oc1cc(O)ccc1[C@H]2c1ccc(Cl)cc1
COc1ccccc1Nc1nc(N)nc(CN(C)Cc2cnccn2)n1 c1cnc(cn1)C[*:1] COc1ccccc1Nc1nc(N)nc(CN(C)[*:1])n1
COc1ccccc1Nc1nc(N)nc(CN(C)Cc2cnccn2)n1 COc1ccccc1[*:1] CN(Cc1cnccn1)Cc1nc(N)nc(n1)N[*:1]
COc1ccccc1Nc1nc(N)nc(CN(C)Cc2cnccn2)n1 c1cnc(cn1)[*:1] COc1ccccc1Nc1nc(N)nc(CN(C)C[*:1])n1
CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)cc1 CCNC(=O)[*:1] CC1(C)[C@H]2CN(C[C@H]21)C(=O)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCCc1cccs1)c1cc2cccc([N+](=O)[O-])c2[nH]1 c1csc(c1)[*:1] O=C(NCC[*:1])c1cc2cccc(c2[nH]1)[N+](=O)[O-]
O=C(NCCc1cccs1)c1cc2cccc([N+](=O)[O-])c2[nH]1 O=[N+]([O-])[*:1] O=C(NCCc1cccs1)c1cc2cccc(c2[nH]1)[*:1]
O=C(NCCc1cccs1)c1cc2cccc([N+](=O)[O-])c2[nH]1 c1csc(c1)CC[*:1] O=C(N[*:1])c1cc2cccc(c2[nH]1)[N+](=O)[O-]
O=C(NCCc1cccs1)c1cc2cccc([N+](=O)[O-])c2[nH]1 c1csc(c1)C[*:1] O=C(NC[*:1])c1cc2cccc(c2[nH]1)[N+](=O)[O-]
O=C(CCn1nnc2ccccc2c1=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CCn1nnc2ccccc2c1=O)N[*:1]
O=C(CCn1nnc2ccccc2c1=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(CCn1nnc2ccccc2c1=O)NC[*:1]
Cc1ccc(-n2c(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)nc3ccccc3c2=O)nc1 Cc1ccc(nc1)[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1[*:1])c1nc2ccccc2c(=O)[nH]1
COc1ccc(N/C([O-])=C(\C#N)C(=O)c2ccoc2)cc1 O=C(c1ccoc1)[*:1] COc1ccc(cc1)NC([O-])=C(C#N)[*:1]
COc1ccc(N/C([O-])=C(\C#N)C(=O)c2ccoc2)cc1 c1cc(co1)[*:1] COc1ccc(cc1)N/C([O-])=C(\C#N)C(=O)[*:1]
Cc1ccc(Cn2c(CNC(=O)c3cccc(C)c3)nc3cccnc32)cc1 Cc1ccc(cc1)C[*:1] Cc1cccc(c1)C(=O)NCc1nc2cccnc2n1[*:1]
Cc1ccc(Cn2c(CNC(=O)c3cccc(C)c3)nc3cccnc32)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)Cn1c(CNC(=O)[*:1])nc2cccnc21
Cc1ccc(Cn2c(CNC(=O)c3cccc(C)c3)nc3cccnc32)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NCc1nc2cccnc2n1C[*:1]
C[C@H]1CCc2[nH]c(=O)c(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2C1 C[C@H]1CCCC[C@H]1[*:1] C[C@H]1CCc2[nH]c(=O)c(cc2C1)C(=O)N[*:1]
CCC[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1nnn[n-]1 CCC[*:1] O=C(N[C@@H](c1nnn[n-]1)[*:1])c1cnc(s1)[C@@H]1CCCO1
CCC[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1nnn[n-]1 C1CO[C@@H](C1)[*:1] CCC[C@@H](NC(=O)c1cnc(s1)[*:1])c1nnn[n-]1
C[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1F C[C@@H](c1ccccc1F)[*:1] O=[N+]([O-])c1cc2OCCCOc2cc1S(=O)(=O)N[*:1]
C[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1F Fc1ccccc1[*:1] C[C@@H](NS(=O)(=O)c1cc2OCCCOc2cc1[N+](=O)[O-])[*:1]
C[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1F O=[N+]([O-])[*:1] C[C@@H](NS(=O)(=O)c1cc2OCCCOc2cc1[*:1])c1ccccc1F
CCOC(=O)CCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] CCOC(=O)CCCNC(=O)N1CC[C@H]([C@H]1C)[*:1]
CCOC(=O)CCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CCOC(=O)C[*:1] C[C@@H]1[C@H](CCN1C(=O)NCC[*:1])C(=O)[O-]
CCOC(=O)CCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CCOC(=O)[*:1] C[C@@H]1[C@H](CCN1C(=O)NCCC[*:1])C(=O)[O-]
Cc1nccn1-c1cncc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 Cc1nccn1[*:1] C[C@H]1CCN(C[C@H]1n1cc[nH+]c1)c1cncc(n1)[*:1]
COc1ccc(-c2cnc3c(c2)CN(C(=O)c2ccc4c(c2)OCCO4)CC3)cc1OC COc1ccc(cc1OC)[*:1] O=C(c1ccc2OCCOc2c1)N1CCc2ncc(cc2C1)[*:1]
COc1ccc(-c2cnc3c(c2)CN(C(=O)c2ccc4c(c2)OCCO4)CC3)cc1OC c1cc2OCCOc2cc1[*:1] COc1ccc(cc1OC)-c1cnc2CCN(Cc2c1)C(=O)[*:1]
CC(C)Nc1ncccc1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] CC(C)Nc1ncccc1C(=O)N[C@@H](C)c1nc(no1)[*:1]
CC(C)Nc1ncccc1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 CC(C)N[*:1] C[C@H](NC(=O)c1cccnc1[*:1])c1nc(no1)-c1cccc(F)c1
CC(C)Nc1ncccc1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 CC(C)[*:1] C[C@H](NC(=O)c1cccnc1N[*:1])c1nc(no1)-c1cccc(F)c1
CCN(CC)C(=O)CCC(=O)NNc1cccc(F)c1F CCN(CC)C(=O)[*:1] O=C(CC[*:1])NNc1cccc(F)c1F
FC(F)(F)[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2ccnn21 FC(F)(F)[*:1] Clc1ccc(cc1)[C@H]1C[C@H](n2nccc2N1)[*:1]
CC(C)[C@@H](NC(=O)c1cnc(-c2ccoc2)s1)C(=O)N1CCOCC1 c1cc(co1)[*:1] CC(C)[C@@H](NC(=O)c1cnc(s1)[*:1])C(=O)N1CCOCC1
CC(C)[C@@H](NC(=O)c1cnc(-c2ccoc2)s1)C(=O)N1CCOCC1 CC(C)[*:1] O=C(N[C@@H](C(=O)N1CCOCC1)[*:1])c1cnc(s1)-c1ccoc1
CC(C)[C@@H](NC(=O)c1cnc(-c2ccoc2)s1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@@H](NC(=O)c1cnc(s1)-c1ccoc1)[*:1]
O=S(=O)(c1cccnc1)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=S(=O)(c1cccnc1)N1CCC(O)(CC1)[*:1]
O=S(=O)(c1cccnc1)N1CCC(O)(C(F)(F)F)CC1 c1cncc(c1)[*:1] O=S(=O)(N1CCC(O)(CC1)C(F)(F)F)[*:1]
CCCOc1cccc(C(=O)Nc2ccc(C)cc2C(=O)NC)c1 CCCO[*:1] CNC(=O)c1cc(C)ccc1NC(=O)c1cccc(c1)[*:1]
CCCOc1cccc(C(=O)Nc2ccc(C)cc2C(=O)NC)c1 CNC(=O)[*:1] CCCOc1cccc(c1)C(=O)Nc1ccc(C)cc1[*:1]
CCCOc1cccc(C(=O)Nc2ccc(C)cc2C(=O)NC)c1 CCC[*:1] CNC(=O)c1cc(C)ccc1NC(=O)c1cccc(c1)O[*:1]
O=C(Nc1cccc(OCc2cccc(F)c2)c1)N[C@@H]1CCc2[nH]ncc2C1 Fc1cccc(c1)CO[*:1] O=C(Nc1cccc(c1)[*:1])N[C@@H]1CCc2[nH]ncc2C1
O=C(Nc1cccc(OCc2cccc(F)c2)c1)N[C@@H]1CCc2[nH]ncc2C1 Fc1cccc(c1)[*:1] O=C(Nc1cccc(c1)OC[*:1])N[C@@H]1CCc2[nH]ncc2C1
O=C(Nc1cccc(OCc2cccc(F)c2)c1)N[C@@H]1CCc2[nH]ncc2C1 Fc1cccc(c1)C[*:1] O=C(Nc1cccc(c1)O[*:1])N[C@@H]1CCc2[nH]ncc2C1
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(=N/N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(c2)C(F)(F)F)S1)[*:1]
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(c2)C(F)(F)F)S1)c1ccc(cc1)[*:1]
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1)c1ccc([N+](=O)[O-])cc1 FC(F)(F)[*:1] C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(c2)[*:1])S1)c1ccc(cc1)[N+](=O)[O-]
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1)c1ccc([N+](=O)[O-])cc1 FC(F)(F)c1cccc(c1)[*:1] C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)N[*:1])S1)c1ccc(cc1)[N+](=O)[O-]
CC[C@H]1CC[C@@](C#N)([C@H](O)C2CC2)C1 C1CC1[*:1] CC[C@H]1CC[C@](C#N)(C1)[C@H](O)[*:1]
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCC(C)C)CS[C@H]21 CC(C)CC[*:1] COc1ccc2c(C(=O)N3[C@@H](CS[C@H]23)C(=O)N[*:1])c1OC
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCC(C)C)CS[C@H]21 CC(C)[*:1] COc1ccc2c(C(=O)N3[C@@H](CS[C@H]23)C(=O)NCC[*:1])c1OC
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCC(C)C)CS[C@H]21 CC(C)C[*:1] COc1ccc2c(C(=O)N3[C@@H](CS[C@H]23)C(=O)NC[*:1])c1OC
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCC(C)C)CS[C@H]21 CC(C)CCNC(=O)[*:1] COc1ccc2c(C(=O)N3[C@@H]2SC[C@@H]3[*:1])c1OC
Cc1ccc2[nH+]c(CN3CCN(S(=O)(=O)c4cc(C)sc4C)CC3)cn2c1 Cc1cc(c(C)s1)[*:1] Cc1ccc2[nH+]c(cn2c1)CN1CCN(CC1)S(=O)(=O)[*:1]
Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] Cc1nc(sc1C(=O)NC[C@H]1CCCN(C1)[*:1])-c1cnn(C)c1
Cc1nc(-c2cnn(C)c2)sc1C(=O)NC[C@H]1CCCN(c2ncccn2)C1 Cn1cc(cn1)[*:1] Cc1nc(sc1C(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
COc1ccc(-c2sc(C(=O)[O-])cc2C)c(OC)c1 O=C([O-])[*:1] COc1ccc(c(c1)OC)-c1sc(cc1C)[*:1]
O=C(COC(=O)c1cccc(Br)c1)c1ccc2c(c1)OCCCO2 Brc1cccc(c1)[*:1] O=C(COC(=O)[*:1])c1ccc2OCCCOc2c1
CCO[C@@H]1CCCN(C(=O)Nc2ccn(CCCOC)n2)C1 COCCC[*:1] CCO[C@@H]1CCCN(C1)C(=O)Nc1ccn(n1)[*:1]
CCO[C@@H]1CCCN(C(=O)Nc2ccn(CCCOC)n2)C1 COC[*:1] CCO[C@@H]1CCCN(C1)C(=O)Nc1ccn(CC[*:1])n1
CCO[C@@H]1CCCN(C(=O)Nc2ccn(CCCOC)n2)C1 COCC[*:1] CCO[C@@H]1CCCN(C1)C(=O)Nc1ccn(C[*:1])n1
CCO[C@@H]1CCCN(C(=O)Nc2ccn(CCCOC)n2)C1 CCO[*:1] COCCCn1ccc(n1)NC(=O)N1CCC[C@H](C1)[*:1]
Cc1nc2ccccc2nc1NCCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1nc2ccccc2nc1NCCC(=O)N[*:1]
Cc1c(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cnn1C(C)C CS(=O)(=O)N[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccc(cc1)C[*:1]
Cc1c(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc(cc1)CNS(C)(=O)=O
Cc1c(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cnn1C(C)C CS(=O)(=O)NC[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 NS(=O)(=O)[*:1] CC(C)(C)c1n[nH]c(n1)SCC(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 CC(C)(C)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CSc1nc(n[nH]1)[*:1]
COc1ncc(CNc2ccc(-n3ccnc3C)cc2)cn1 Cc1nccn1[*:1] COc1ncc(cn1)CNc1ccc(cc1)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H](Oc1ccccc1F)C(=O)NC[*:1]
C[C@H](Oc1ccccc1F)C(=O)NCC(=O)N1CCCC1 Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NCC(=O)N1CCCC1
CC(=O)C[C@@H]1CCCN1C(=O)c1ccc2c(c1)COC2 CC(=O)[*:1] O=C(c1ccc2COCc2c1)N1CCC[C@H]1C[*:1]
CC(=O)C[C@@H]1CCCN1C(=O)c1ccc2c(c1)COC2 CC(=O)C[*:1] O=C(c1ccc2COCc2c1)N1CCC[C@H]1[*:1]
Cc1cc(N(C)c2ccccc2)c([C@H](C)[NH3+])cc1F c1ccc(cc1)[*:1] Cc1cc(c(cc1F)[C@H](C)[NH3+])N(C)[*:1]
O=C(Cc1cn2ccccc2n1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 Clc1cc(Cl)cc(c1)[*:1] O=C(Cc1cn2ccccc2n1)N1CCN(CC1)C(=O)[*:1]
O=C(Cc1cn2ccccc2n1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 c1ccn2cc(nc2c1)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1cc(Cl)cc(Cl)c1
O=C([O-])c1cncc(Nc2cccnc2)n1 O=C([O-])[*:1] c1cncc(c1)Nc1cncc(n1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)CCc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)CCc1nncn1[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)CCc1nncn1-c1ccccc1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)CCc1nncn1-c1ccccc1)[*:1]
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3cc(C)cc(C)c3s2)cc1 c1ccc(nc1)[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)N(C[*:1])c1nc2cc(C)cc(C)c2s1
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3cc(C)cc(C)c3s2)cc1 c1ccc(C[*:1])nc1 CCS(=O)(=O)c1ccc(cc1)C(=O)N(c1nc2cc(C)cc(C)c2s1)[*:1]
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3cc(C)cc(C)c3s2)cc1 CCS(=O)(=O)[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1ccccn1)C(=O)c1ccc(cc1)[*:1]
Cc1c(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N[C@H](COc1ccccc1F)[*:1]
Cc1c(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)cccc1[N+](=O)[O-] Fc1ccccc1OC[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N[C@H](c1ccccc1)[*:1]
Cc1c(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)cccc1[N+](=O)[O-] Fc1ccccc1[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N[C@H](CO[*:1])c1ccccc1
Cc1c(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)N[C@H](COc1ccccc1F)c1ccccc1
Cc1c(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)cccc1[N+](=O)[O-] Fc1ccccc1O[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N[C@H](C[*:1])c1ccccc1
N#C[C@H]1CN(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])CCO1 O=C([O-])C[*:1] N#C[C@H]1CN(CCO1)C(=O)N1CCNC(=O)[C@H]1[*:1]
N#C[C@H]1CN(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])CCO1 O=C([O-])[*:1] N#C[C@H]1CN(CCO1)C(=O)N1CCNC(=O)[C@@H]1C[*:1]
CCn1c(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc2ccccc21 C[S@](=O)[*:1] CCn1c(cc2ccccc21)C(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
CC[C@@H]1Oc2ccc(NC(=O)c3cccc(OC)c3)cc2CN(Cc2cccc(OC)c2)C1=O COc1cccc(c1)C[*:1] CC[C@@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)c1cccc(c1)OC
CC[C@@H]1Oc2ccc(NC(=O)c3cccc(OC)c3)cc2CN(Cc2cccc(OC)c2)C1=O COc1cccc(c1)[*:1] CC[C@@H]1Oc2ccc(cc2CN(C[*:1])C1=O)NC(=O)c1cccc(c1)OC
CC[C@@H]1Oc2ccc(NC(=O)c3cccc(OC)c3)cc2CN(Cc2cccc(OC)c2)C1=O COc1cccc(c1)C(=O)N[*:1] CC[C@@H]1Oc2ccc(cc2CN(Cc2cccc(c2)OC)C1=O)[*:1]
CC[C@@H]1Oc2ccc(NC(=O)c3cccc(OC)c3)cc2CN(Cc2cccc(OC)c2)C1=O COc1cccc(c1)[*:1] CC[C@@H]1Oc2ccc(cc2CN(Cc2cccc(c2)OC)C1=O)NC(=O)[*:1]
Cc1ccc([C@H]2C[NH2+]CC[C@]23CC(C)(C)OC3(C)C)cc1 Cc1ccc(cc1)[*:1] CC1(C)C[C@]2(CC[NH2+]C[C@@H]2[*:1])C(C)(C)O1
C[C@@H]1OCC[C@H]1C(=O)N1CCC(COc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC1)CO[*:1]
C[C@@H]1OCC[C@H]1C(=O)N1CCC(COc2ccccc2)CC1 c1ccc(cc1)O[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC1)C[*:1]
COc1cc(F)c([C@@H](C)NC(=O)Nc2cnn(C(C)(C)C)c2)cc1OC CC(C)(C)[*:1] COc1cc(F)c(cc1OC)[C@@H](C)NC(=O)Nc1cnn(c1)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)N2CC=C(c3cccs3)CC2)C1 c1csc(c1)[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)N1CC=C(CC1)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)N2CC=C(c3cccs3)CC2)C1 CCS[*:1] O=C(N[C@@H]1CC[C@@H](C1)[*:1])N1CC=C(CC1)c1cccs1
CC(=O)N1CCc2cc(S(=O)(=O)Oc3ccccc3Cl)ccc21 Clc1ccccc1[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)O[*:1]
O=C(Nc1nc2c(s1)COCC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(Nc1nc2CCOCc2s1)c1c[nH]c2ccc(cc12)[*:1]
O=C(NNc1cccc(Cl)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NNc1cccc(Cl)c1)[C@H]1CCC[C@H](C1)[*:1]
O=C(NNc1cccc(Cl)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 Clc1cccc(c1)[*:1] O=C(NN[*:1])[C@H]1CCC[C@@H](C1)C(F)(F)F
CC(C)(C)OC(=O)N[C@H](C(N)=O)C1CCCCC1 CC(C)(C)[*:1] NC(=O)[C@@H](NC(=O)O[*:1])C1CCCCC1
CC(C)(C)OC(=O)N[C@H](C(N)=O)C1CCCCC1 NC(=O)[*:1] CC(C)(C)OC(=O)N[C@H](C1CCCCC1)[*:1]
CC(C)(C)OC(=O)N[C@H](C(N)=O)C1CCCCC1 C1CCC(CC1)[*:1] CC(C)(C)OC(=O)N[C@H](C(N)=O)[*:1]
O=C(CC1CCN(C(=O)N[C@H]2CCC[C@@H](C3CC3)C2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(N[C@H]1CCC[C@H](C1)C1CC1)N1CCC(CC1)C[*:1]
O=C(CC1CCN(C(=O)N[C@H]2CCC[C@@H](C3CC3)C2)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(N[C@H]1CCC[C@H](C1)C1CC1)N1CCC(CC1)[*:1]
O=C(CC1CCN(C(=O)N[C@H]2CCC[C@@H](C3CC3)C2)CC1)N1CCCC1 C1CC1[*:1] O=C(CC1CCN(CC1)C(=O)N[C@H]1CCC[C@@H](C1)[*:1])N1CCCC1
COCCN(C)C(=O)NCc1ccc(C(=O)N(C)C)cc1 COCC[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)N(C)[*:1]
COCCN(C)C(=O)NCc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] COCCN(C)C(=O)NCc1ccc(cc1)[*:1]
COCCN(C)C(=O)NCc1ccc(C(=O)N(C)C)cc1 COC[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)N(C)C[*:1]
CCCc1nc([C@H](NC(=O)c2ccsc2)c2ccccc2)no1 CCC[*:1] O=C(N[C@H](c1ccccc1)c1noc(n1)[*:1])c1ccsc1
CCCc1nc([C@H](NC(=O)c2ccsc2)c2ccccc2)no1 c1cc(cs1)[*:1] CCCc1nc(no1)[C@H](NC(=O)[*:1])c1ccccc1
CCCc1nc([C@H](NC(=O)c2ccsc2)c2ccccc2)no1 c1ccc(cc1)[*:1] CCCc1nc(no1)[C@H](NC(=O)c1ccsc1)[*:1]
CCN(C(=O)NCCC(C)C)[C@@H](C)c1ccc(F)cc1 CC(C)CC[*:1] CCN(C(=O)N[*:1])[C@@H](C)c1ccc(F)cc1
CCN(C(=O)NCCC(C)C)[C@@H](C)c1ccc(F)cc1 CC(C)C[*:1] CCN(C(=O)NC[*:1])[C@@H](C)c1ccc(F)cc1
CCN(C(=O)NCCC(C)C)[C@@H](C)c1ccc(F)cc1 CC(C)[*:1] CCN(C(=O)NCC[*:1])[C@@H](C)c1ccc(F)cc1
O=C1CSc2ccc(NC(=O)c3ccccc3-c3cncnc3)cc2N1 c1ncc(cn1)[*:1] O=C1CSc2ccc(cc2N1)NC(=O)c1ccccc1[*:1]
CC[NH2+][C@H](c1ccn(CC(=O)N2CCOCC2)c1)C(C)C CC(C)[*:1] CC[NH2+][C@H](c1ccn(c1)CC(=O)N1CCOCC1)[*:1]
C[C@@H](C(=O)N(C)[C@H](C)c1ccco1)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)N(C)[C@H](C)c1ccco1)[*:1]
C[C@@H](C(=O)N(C)[C@H](C)c1ccco1)c1cccs1 c1coc(c1)[*:1] C[C@@H](C(=O)N(C)[C@H](C)[*:1])c1cccs1
CN(CC(=O)OCc1ccccc1F)S(=O)(=O)c1cccnc1 c1cncc(c1)[*:1] CN(CC(=O)OCc1ccccc1F)S(=O)(=O)[*:1]
CN(CC(=O)OCc1ccccc1F)S(=O)(=O)c1cccnc1 Fc1ccccc1[*:1] CN(CC(=O)OC[*:1])S(=O)(=O)c1cccnc1
C[NH+]1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] C[NH+]1CCC(CC1)Nc1ncc(cc1Cl)[*:1]
Cc1csc([C@@H](C)NC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)C(=O)Cc1ccccc1F)[*:1]
Cc1csc([C@@H](C)NC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)n1 Fc1ccccc1C[*:1] Cc1csc(n1)[C@@H](C)NC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1csc([C@@H](C)NC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)n1 Fc1ccccc1[*:1] Cc1csc(n1)[C@@H](C)NC(=O)N1CCN(CC1)C(=O)C[*:1]
COc1cccc([C@H](CNC(=O)/C=C/c2cccs2)[NH+]2CCCC2)c1 c1csc(c1)[*:1] COc1cccc(c1)[C@H](CNC(=O)C=C[*:1])[NH+]1CCCC1
COc1cccc([C@H](CNC(=O)/C=C/c2cccs2)[NH+]2CCCC2)c1 C(=C[*:1])c1cccs1 COc1cccc(c1)[C@H](CNC(=O)[*:1])[NH+]1CCCC1
COc1cccc([C@H](CNC(=O)/C=C/c2cccs2)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] O=C(/C=C/c1cccs1)NC[C@H]([NH+]1CCCC1)[*:1]
CCC(CC)[NH2+]C[C@@H]1Cc2ccccc2S1 CCC(CC)[*:1] c1ccc2S[C@H](C[NH2+][*:1])Cc2c1
C=CCSc1nnc(C2CCOCC2)n1N C=CC[*:1] Nn1c(nnc1C1CCOCC1)S[*:1]
C=CCSc1nnc(C2CCOCC2)n1N C=CCS[*:1] Nn1c(nnc1[*:1])C1CCOCC1
CN1C(=O)C[C@H](NC(=O)[C@](C)(N)C(F)(F)F)C1=O FC(F)(F)[*:1] CN1C(=O)C[C@H](NC(=O)[C@](C)(N)[*:1])C1=O
COc1ccc(N2C[C@@H](C(=O)Nc3nnc(-c4ccn(C(C)C)n4)o3)CC2=O)cc1 COc1ccc(cc1)[*:1] CC(C)n1ccc(n1)-c1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])o1
COc1ccc(N2C[C@@H](C(=O)Nc3nnc(-c4ccn(C(C)C)n4)o3)CC2=O)cc1 CC(C)n1ccc(n1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(o1)[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3nnc(-c4ccn(C(C)C)n4)o3)CC2=O)cc1 CC(C)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(o1)-c1ccn(n1)[*:1]
CCN(C(=O)Cn1c(N2CCCC2)nc(C)cc1=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)Cn1c(nc(C)cc1=O)N1CCCC1)[*:1]
CCN(C(=O)Cn1c(N2CCCC2)nc(C)cc1=O)c1ccccc1 C1CCN(C1)[*:1] CCN(C(=O)Cn1c(nc(C)cc1=O)[*:1])c1ccccc1
CCOC(=O)[C@](C)(O)[C@@H](C)c1cccc2ccccc12 CCOC(=O)[*:1] C[C@@H](c1cccc2ccccc12)[C@](C)(O)[*:1]
Cc1cc(C)n(CC(=O)NCc2cccc(OCC(F)F)n2)n1 Cc1cc(C)n(n1)[*:1] O=C(C[*:1])NCc1cccc(n1)OCC(F)F
Cc1cc(C)n(CC(=O)NCc2cccc(OCC(F)F)n2)n1 FC(F)[*:1] Cc1cc(C)n(CC(=O)NCc2cccc(n2)OC[*:1])n1
Cc1cc(C)n(CC(=O)NCc2cccc(OCC(F)F)n2)n1 FC(F)CO[*:1] Cc1cc(C)n(CC(=O)NCc2cccc(n2)[*:1])n1
Cc1cc(C)n(CC(=O)NCc2cccc(OCC(F)F)n2)n1 FC(F)C[*:1] Cc1cc(C)n(CC(=O)NCc2cccc(n2)O[*:1])n1
COC(=O)c1nnsc1NC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] COC(=O)c1nnsc1NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1nnsc1NC(=O)c1ccc(C(C)(C)C)cc1 COC(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1snnc1[*:1]
C=C(C)C[C@@H]([NH2+]C)c1ccc2ncccc2c1 C=C(C)[*:1] C[NH2+][C@H](C[*:1])c1ccc2ncccc2c1
C=C(C)C[C@@H]([NH2+]C)c1ccc2ncccc2c1 C=C(C)C[*:1] C[NH2+][C@@H](c1ccc2ncccc2c1)[*:1]
CCc1n[nH]c(S[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)n1 Fc1ccc(cc1)[*:1] CCc1n[nH]c(n1)S[C@H]1CCCCN(C1=O)C(=O)[*:1]
CC(C)C[C@H](C(=O)NCC(=O)NC(C)(C)C)N1CCCCC1=O CC(C)(C)[*:1] CC(C)C[C@H](C(=O)NCC(=O)N[*:1])N1CCCCC1=O
CC(C)C[C@H](C(=O)NCC(=O)NC(C)(C)C)N1CCCCC1=O CC(C)C[*:1] CC(C)(C)NC(=O)CNC(=O)[C@H](N1CCCCC1=O)[*:1]
CC(C)C[C@H](C(=O)NCC(=O)NC(C)(C)C)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@H](C(=O)NCC(=O)NC(C)(C)C)[*:1]
CC(C)C[C@H](C(=O)NCC(=O)NC(C)(C)C)N1CCCCC1=O CC(C)(C)NC(=O)[*:1] CC(C)C[C@H](C(=O)NC[*:1])N1CCCCC1=O
CC(C)C[C@H](C(=O)NCC(=O)NC(C)(C)C)N1CCCCC1=O CC(C)[*:1] CC(C)(C)NC(=O)CNC(=O)[C@@H](C[*:1])N1CCCCC1=O
Cc1ccccc1CNC(=O)[C@H](C)C1CCN(S(=O)(=O)c2cccs2)CC1 Cc1ccccc1[*:1] C[C@@H](C(=O)NC[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
Cc1ccccc1CNC(=O)[C@H](C)C1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cc1ccccc1CNC(=O)[C@H](C)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccccc1CNC(=O)[C@H](C)C1CCN(S(=O)(=O)c2cccs2)CC1 Cc1ccccc1C[*:1] C[C@@H](C(=O)N[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@@H](C#N)Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCn1c(cnc1S[C@@H](C#N)C[*:1])-c1ccc2OCCOc2c1
CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@@H](C#N)Cc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] CCn1c(cnc1S[C@@H](C#N)[*:1])-c1ccc2OCCOc2c1
Cc1cc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)c(C)cc1Br CS(=O)(=O)[*:1] Cc1cc(C(=O)N2CCSC[C@H]2[*:1])c(C)cc1Br
COc1ccc(OC)c([C@H](C)[NH2+]CCN2C(=O)CCC2=O)c1 O=C1CCC(=O)N1[*:1] COc1ccc(OC)c(c1)[C@H](C)[NH2+]CC[*:1]
CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 c1cc(cs1)[*:1] CN(C(=O)[*:1])[C@@H](Cc1ccccc1)C1CCN(CC1)C(=O)c1ccc[n+]([O-])c1
CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 [O-][n+]1cccc(c1)[*:1] CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(CC1)C(=O)[*:1]
CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 c1ccc(cc1)[*:1] CN(C(=O)c1ccsc1)[C@@H](C[*:1])C1CCN(CC1)C(=O)c1ccc[n+]([O-])c1
CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccsc1)[C@@H](C1CCN(CC1)C(=O)c1ccc[n+]([O-])c1)[*:1]
CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 CN(C(=O)c1ccsc1)[*:1] O=C(c1ccc[n+]([O-])c1)N1CCC(CC1)[C@H](Cc1ccccc1)[*:1]
CSc1nc(SC)c2c(C(N)=S)n[nH]c2n1 NC(=S)[*:1] CSc1nc(SC)c2c(n[nH]c2n1)[*:1]
O=C(NO[C@@H]1CCCCO1)C1=Cc2cc(F)ccc2OC1 C1CC[C@H](OC1)[*:1] O=C(NO[*:1])C1=Cc2cc(F)ccc2OC1
Cc1ccc([C@@H]([NH2+][C@@H](C)CO)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]([NH2+][C@@H](C)CO)[*:1]
CCOC(=O)Nc1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1 CCOC(=O)N[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(Br)cc(C)c1NC(=O)N[C@@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] Cc1cc(Br)cc(C)c1NC(=O)N[C@@H](C)[*:1]
CCOc1ccc(CC(=O)NC[C@@H](O)c2cccn2C)cc1 Cn1cccc1[*:1] CCOc1ccc(cc1)CC(=O)NC[C@@H](O)[*:1]
CCOc1ccc(CC(=O)NC[C@@H](O)c2cccn2C)cc1 CCO[*:1] Cn1cccc1[C@H](O)CNC(=O)Cc1ccc(cc1)[*:1]
COc1cccc(NC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)c1 CSc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)c1nnn(C[*:1])c1N
COc1cccc(NC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)c1 COc1cccc(c1)[*:1] CSc1ccc(cc1)Cn1nnc(C(=O)N[*:1])c1N
Cc1cc(NC(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)nn1C Cc1cc(nn1C)[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N[*:1]
C[C@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)N(C)CCc3ccncc3)c2)C1=O c1cc(ccn1)[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1ccc(Cl)c(c1)C(=O)N(C)CC[*:1]
C[C@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)N(C)CCc3ccncc3)c2)C1=O c1cc(ccn1)CC[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1ccc(Cl)c(c1)C(=O)N(C)[*:1]
C[C@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)N(C)CCc3ccncc3)c2)C1=O c1cc(ccn1)C[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1ccc(Cl)c(c1)C(=O)N(C)C[*:1]
Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1C1CC1 C1CC1[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1sccc1C(N)=O
Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1C1CC1 NC(=O)[*:1] Cn1c(nnc1C1CC1)SCC(=O)Nc1sccc1[*:1]
CNS(=O)(=O)CC(=O)Nc1ccc2nc(C(C)C)sc2c1 CNS(=O)(=O)C[*:1] CC(C)c1nc2ccc(cc2s1)NC(=O)[*:1]
CNS(=O)(=O)CC(=O)Nc1ccc2nc(C(C)C)sc2c1 CNS(=O)(=O)[*:1] CC(C)c1nc2ccc(cc2s1)NC(=O)C[*:1]
CNS(=O)(=O)CC(=O)Nc1ccc2nc(C(C)C)sc2c1 CC(C)[*:1] CNS(=O)(=O)CC(=O)Nc1ccc2nc(sc2c1)[*:1]
CN1CCO[C@@H](C[NH2+]Cc2csc(-c3ccccc3F)n2)C1 Fc1ccccc1[*:1] CN1CCO[C@@H](C[NH2+]Cc2csc(n2)[*:1])C1
CCOc1ccc(NC(=O)N2CCC(CN3CCOCC3)CC2)cc1 C1CN(CCO1)C[*:1] CCOc1ccc(cc1)NC(=O)N1CCC(CC1)[*:1]
CCOc1ccc(NC(=O)N2CCC(CN3CCOCC3)CC2)cc1 C1CN(CCO1)[*:1] CCOc1ccc(cc1)NC(=O)N1CCC(CC1)C[*:1]
CCOc1ccc(NC(=O)N2CCC(CN3CCOCC3)CC2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC(CC1)CN1CCOCC1
CC1=C(C(=O)CN2C(=O)N[C@@H](CC3=c4ccccc4=[NH+]C3)C2=O)C[C@H](C)N1c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC1=C(C[C@H](C)N1[*:1])C(=O)CN1C(=O)N[C@@H](CC2C[NH+]=c3ccccc3=2)C1=O
CN(C)c1cccc(NC(=O)c2cccs2)c1 CN(C)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccs1
CN(C)c1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] CN(C)c1cccc(c1)NC(=O)[*:1]
CS[C@@H](C)C(=O)N1CCC(C(=O)N(C)C)CC1 CS[C@@H](C)[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)[*:1]
CS[C@@H](C)C(=O)N1CCC(C(=O)N(C)C)CC1 CN(C)C(=O)[*:1] CS[C@@H](C)C(=O)N1CCC(CC1)[*:1]
NNC(=O)c1nnc2sc(-c3ccccc3Br)nn12 NNC(=O)[*:1] Brc1ccccc1-c1nn2c(nnc2s1)[*:1]
CCn1cnnc1CCNS(=O)(=O)c1ccc(C)cc1C CCn1cnnc1[*:1] Cc1ccc(c(C)c1)S(=O)(=O)NCC[*:1]
COc1ccc(CCC(=O)N2CCCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])N1CCCN(CC1)C(=O)C1=Cc2cc(Cl)ccc2OC1
COc1ccc(CCC(=O)N2CCCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(C[*:1])N1CCCN(CC1)C(=O)C1=Cc2cc(Cl)ccc2OC1
COc1ccc(CCC(=O)N2CCCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)cc1 COc1ccc(cc1)CC[*:1] O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCCN(CC1)C(=O)[*:1]
CCc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3ccc(OC)cc3)c2=O)cc1 COc1ccc(cc1)[*:1] CCc1ccc(/C=c2\sc(=C(C#N)C#N)n(c2=O)[*:1])cc1
CCc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3ccc(OC)cc3)c2=O)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1)-n1c(sc(=C[*:1])c1=O)=C(C#N)C#N
CC[NH+](CC(=O)Nc1c(C)cccc1C)Cc1cccnc1C Cc1ncccc1[*:1] CC[NH+](CC(=O)Nc1c(C)cccc1C)C[*:1]
CCCN(CCC)C(=O)c1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CCCN(CCC)C(=O)c1cccc(c1)NC(=O)[*:1]
CCCN(CCC)C(=O)c1cccc(NC(=O)c2ccccc2)c1 CCC[*:1] CCCN(C(=O)c1cccc(c1)NC(=O)c1ccccc1)[*:1]
CCOc1cc2[nH+]ccc(Nc3ccc(C(=O)[O-])cc3)c2cc1OCC O=C([O-])[*:1] CCOc1cc2[nH+]ccc(Nc3ccc(cc3)[*:1])c2cc1OCC
CCOc1cc2[nH+]ccc(Nc3ccc(C(=O)[O-])cc3)c2cc1OCC CCO[*:1] CCOc1cc2[nH+]ccc(Nc3ccc(cc3)C(=O)[O-])c2cc1[*:1]
CCOc1cc2[nH+]ccc(Nc3ccc(C(=O)[O-])cc3)c2cc1OCC CCO[*:1] CCOc1cc2c(cc[nH+]c2cc1[*:1])Nc1ccc(cc1)C(=O)[O-]
Cc1cccc(C)c1NC(=O)CNC(=O)C[C@@H]1Sc2ccccc2NC1=O Cc1cccc(C)c1[*:1] O=C(C[C@@H]1Sc2ccccc2NC1=O)NCC(=O)N[*:1]
CC(C)NC(=O)CCNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 CC(C)[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)NCCC(=O)N[*:1])C[C@@H](C)O1
CC(C)NC(=O)CCNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 CC(C)NC(=O)C[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)NC[*:1])C[C@@H](C)O1
CC(C)NC(=O)CCNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 CC(C)NC(=O)CC[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)N[*:1])C[C@@H](C)O1
CC(C)NC(=O)CCNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 CC(C)NC(=O)[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)NCC[*:1])C[C@@H](C)O1
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cccc2c1OCCO2 c1ccc(cc1)C[*:1] C[C@H](S[*:1])C(=O)N/N=C/c1cccc2OCCOc12
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cccc2c1OCCO2 c1ccc(cc1)[*:1] C[C@H](SC[*:1])C(=O)N/N=C/c1cccc2OCCOc12
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cccc2c1OCCO2 c1ccc(cc1)CS[*:1] C[C@H](C(=O)N/N=C/c1cccc2OCCOc12)[*:1]
C=CC[NH+](Cc1ncn(-c2ccccc2)n1)Cc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 C=CC[NH+](Cc1ncn(n1)-c1ccccc1)[*:1]
C=CC[NH+](Cc1ncn(-c2ccccc2)n1)Cc1ccc(Cl)s1 c1ccc(cc1)[*:1] C=CC[NH+](Cc1ncn(n1)[*:1])Cc1ccc(Cl)s1
C=CC[NH+](Cc1ncn(-c2ccccc2)n1)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] C=CC[NH+](Cc1ncn(n1)-c1ccccc1)C[*:1]
O=C(Cc1ccc(F)cc1F)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)C[*:1] O=C(Cc1ccc(F)cc1F)Nc1cccc(c1)O[*:1]
O=C(Cc1ccc(F)cc1F)Nc1cccc(OCC(F)(F)F)c1 Fc1ccc(c(F)c1)[*:1] O=C(C[*:1])Nc1cccc(c1)OCC(F)(F)F
O=C(Cc1ccc(F)cc1F)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] O=C(Cc1ccc(F)cc1F)Nc1cccc(c1)[*:1]
O=C(Cc1ccc(F)cc1F)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cc1ccc(F)cc1F)Nc1cccc(c1)OC[*:1]
Cn1cc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cn1 Cn1cc(cn1)[*:1] Clc1ccc(cc1Cl)N1CCN(CC1)C[*:1]
Cn1cc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cn1 Cn1cc(cn1)C[*:1] Clc1ccc(cc1Cl)N1CCN(CC1)[*:1]
CCN(c1cccc(C)c1)c1[nH+]cnc(Nc2nc(C)c(C)s2)c1N Cc1cccc(c1)[*:1] CCN(c1[nH+]cnc(Nc2nc(C)c(C)s2)c1N)[*:1]
CCN(c1cccc(C)c1)c1[nH+]cnc(Nc2nc(C)c(C)s2)c1N Cc1nc(sc1C)[*:1] CCN(c1cccc(C)c1)c1[nH+]cnc(N[*:1])c1N
CCN(c1cccc(C)c1)c1[nH+]cnc(Nc2nc(C)c(C)s2)c1N Cc1nc(N[*:1])sc1C CCN(c1cccc(C)c1)c1[nH+]cnc(c1N)[*:1]
COc1ccc(CCC(=O)/C(C#N)=C(\[O-])NC(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)CCC(=O)/C(C#N)=C(\[O-])N[*:1]
COc1ccc(CCC(=O)/C(C#N)=C(\[O-])NC(C)C)cc1F CC(C)N[*:1] COc1ccc(cc1F)CCC(=O)/C(C#N)=C(\[O-])[*:1]
COCC[C@@H](C)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 COCC[*:1] C[C@@H](C(=O)N1CC[C@](O)(C1)C(F)(F)F)[*:1]
COCC[C@@H](C)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 COC[*:1] C[C@H](C[*:1])C(=O)N1CC[C@](O)(C1)C(F)(F)F
COCC[C@@H](C)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 COCC[C@@H](C)[*:1] O=C(N1CC[C@](O)(C1)C(F)(F)F)[*:1]
COCC[C@@H](C)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] COCC[C@@H](C)C(=O)N1CC[C@@](O)(C1)[*:1]
CCC[NH2+]C[C@]1(c2cc(C)cc(C)c2)CC[C@@H]1C CCC[*:1] Cc1cc(C)cc(c1)[C@]1(CC[C@@H]1C)C[NH2+][*:1]
Cc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1[N+](=O)[O-] c1coc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)N(C[C@H]1CCCO1)C[*:1]
Cc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1[N+](=O)[O-] C1CO[C@H](C1)C[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)N(Cc1ccco1)[*:1]
Cc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)N(Cc1ccco1)C[C@H]1CCCO1
Cc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1[N+](=O)[O-] c1coc(c1)C[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)N(C[C@H]1CCCO1)[*:1]
COC[C@@H](O)CNC(=O)N[C@H](C)Cc1ccccc1Br COC[C@@H](O)C[*:1] C[C@H](Cc1ccccc1Br)NC(=O)N[*:1]
COC[C@@H](O)CNC(=O)N[C@H](C)Cc1ccccc1Br COC[C@@H](O)[*:1] C[C@H](Cc1ccccc1Br)NC(=O)NC[*:1]
COC[C@@H](O)CNC(=O)N[C@H](C)Cc1ccccc1Br COC[*:1] C[C@H](Cc1ccccc1Br)NC(=O)NC[C@H](O)[*:1]
Cc1cc(C[NH+]2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)no1 Cc1cc(no1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CN1CC[NH+](CC1)C[*:1]
Cc1cc(C[NH+]2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)no1 Cc1cc(C[*:1])no1 C[C@H]1CCCC[C@@H]1NC(=O)CN1CC[NH+](CC1)[*:1]
Cc1cc(C[NH+]2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)no1 C[C@H]1CCCC[C@@H]1[*:1] Cc1cc(C[NH+]2CCN(CC2)CC(=O)N[*:1])no1
O=C(NC[C@](O)(c1cccs1)C1CC1)C1(c2ccccc2)CCOCC1 C1CC1[*:1] O=C(NC[C@](O)(c1cccs1)[*:1])C1(CCOCC1)c1ccccc1
O=C(NC[C@](O)(c1cccs1)C1CC1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(NC[C@](O)(c1cccs1)C1CC1)C1(CCOCC1)[*:1]
O=C(NC[C@](O)(c1cccs1)C1CC1)C1(c2ccccc2)CCOCC1 c1csc(c1)[*:1] O=C(NC[C@](O)(C1CC1)[*:1])C1(CCOCC1)c1ccccc1
C[NH+](CCCOc1cccc(Cl)c1)C1CCN(C(N)=O)CC1 Clc1cccc(c1)[*:1] C[NH+](CCCO[*:1])C1CCN(CC1)C(N)=O
CCOc1ccc(NC(=O)N(C)Cc2csc(Br)c2)cc1 Brc1cc(cs1)C[*:1] CCOc1ccc(cc1)NC(=O)N(C)[*:1]
CCOc1ccc(NC(=O)N(C)Cc2csc(Br)c2)cc1 Brc1cc(cs1)[*:1] CCOc1ccc(cc1)NC(=O)N(C)C[*:1]
CCOc1ccc(NC(=O)N(C)Cc2csc(Br)c2)cc1 CCO[*:1] CN(Cc1csc(Br)c1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](O)c1nc(-c2c(F)ccc([N+](=O)[O-])c2F)no1 O=[N+]([O-])[*:1] C[C@H](O)c1nc(no1)-c1c(F)ccc(c1F)[*:1]
C[C@H](O)c1nc(-c2c(F)ccc([N+](=O)[O-])c2F)no1 C[C@H](O)[*:1] O=[N+]([O-])c1ccc(F)c(-c2noc(n2)[*:1])c1F
CC(C)(C)n1cc(NC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cn1 CC(C)(C)n1cc(cn1)[*:1] O=C(Nc1cccc(c1)C(=O)Nc1cccc(F)c1)N[*:1]
CC(C)(C)n1cc(NC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cn1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)C(=O)Nc1cccc(F)c1)Nc1cnn(c1)[*:1]
CC(C)(C)n1cc(NC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cn1 Fc1cccc(c1)[*:1] CC(C)(C)n1cc(cn1)NC(=O)Nc1cccc(c1)C(=O)N[*:1]
O=C([O-])c1ccccc1C(=O)OC[C@@H]1C[C@H]2CC[C@@H]1C2 O=C([O-])[*:1] O=C(OC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1[*:1]
Cc1cc(=O)oc2cc(OCC(=O)NC[C@H](O)c3ccccc3)ccc12 O[C@H](c1ccccc1)[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)NC[*:1]
Cc1cc(=O)oc2cc(OCC(=O)NC[C@H](O)c3ccccc3)ccc12 c1ccc(cc1)[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)NC[C@H](O)[*:1]
CCCOc1ccc(-c2nc(N3CC[NH+](C)CC3)c3ccccc3n2)cc1 CCC[*:1] C[NH+]1CCN(CC1)c1nc(nc2ccccc12)-c1ccc(cc1)O[*:1]
CCCOc1ccc(-c2nc(N3CC[NH+](C)CC3)c3ccccc3n2)cc1 CCCO[*:1] C[NH+]1CCN(CC1)c1nc(nc2ccccc12)-c1ccc(cc1)[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCc2nnc3ccccn23)cc1 c1ccn2c(nnc2c1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)NCC[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCc2nnc3ccccn23)cc1 c1ccn2c(C[*:1])nnc2c1 C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
O=C(c1cc(F)cc(Br)c1)N1CCCC[C@H]1CCO OCC[*:1] O=C(c1cc(F)cc(Br)c1)N1CCCC[C@@H]1[*:1]
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 C1CC1[*:1] C[NH+](C)[C@@H]1CCC[C@H](C1)NC(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
C#CCN(CC(=O)[O-])C(=O)N1CCC[C@@H]1C1CCCC1 C1CCC(C1)[*:1] C#CCN(CC(=O)[O-])C(=O)N1CCC[C@H]1[*:1]
C#CCN(CC(=O)[O-])C(=O)N1CCC[C@@H]1C1CCCC1 C#CC[*:1] O=C([O-])CN(C(=O)N1CCC[C@@H]1C1CCCC1)[*:1]
C#CCN(CC(=O)[O-])C(=O)N1CCC[C@@H]1C1CCCC1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)N1CCC[C@@H]1C1CCCC1
C#CCN(CC(=O)[O-])C(=O)N1CCC[C@@H]1C1CCCC1 O=C([O-])C[*:1] C#CCN(C(=O)N1CCC[C@@H]1C1CCCC1)[*:1]
FC(F)(F)c1cccc(OCCN2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] FC(F)(F)c1cccc(c1)OCCN1CC[NH+](CC1)[*:1]
FC(F)(F)c1cccc(OCCN2CC[NH+](Cc3ccccc3)CC2)c1 FC(F)(F)[*:1] c1ccc(cc1)C[NH+]1CCN(CCOc2cccc(c2)[*:1])CC1
FC(F)(F)c1cccc(OCCN2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] FC(F)(F)c1cccc(c1)OCCN1CC[NH+](CC1)C[*:1]
Clc1cc(CN2CCN(c3ccccc3)CC2)cc(Cl)n1 c1ccc(cc1)[*:1] Clc1cc(cc(Cl)n1)CN1CCN(CC1)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2ccc(OCC(F)F)nc2)C[C@@H]1C FC(F)CO[*:1] COC(=O)[C@@H]1CN(C[C@@H]1C)C(=O)c1ccc(nc1)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2ccc(OCC(F)F)nc2)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@H]1[*:1])C(=O)c1ccc(nc1)OCC(F)F
COC(=O)[C@@H]1CN(C(=O)c2ccc(OCC(F)F)nc2)C[C@@H]1C FC(F)C[*:1] COC(=O)[C@@H]1CN(C[C@@H]1C)C(=O)c1ccc(nc1)O[*:1]
COC(=O)[C@@H]1CN(C(=O)c2ccc(OCC(F)F)nc2)C[C@@H]1C FC(F)[*:1] COC(=O)[C@@H]1CN(C[C@@H]1C)C(=O)c1ccc(nc1)OC[*:1]
C[C@@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H](c2ccc(F)cc2)O1 O=S1(=O)CC[C@H](C1)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)N[*:1]
C[C@@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H](c2ccc(F)cc2)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)[*:1])C(=O)N[C@@H]1CCS(=O)(=O)C1
COCCN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1=O COCC[*:1] O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)N[C@@H]1C[C@H]1c1ccccc1Br
COCCN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1=O Brc1ccccc1[*:1] COCCN1CCN(CC1=O)C(=O)N[C@@H]1C[C@@H]1[*:1]
COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)NCC1CC[NH+](CC1)C[*:1]
COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)NC(=O)NCC1CC[NH+](CC1)[*:1]
CCNS(=O)(=O)C[C@@]1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2Br CCNS(=O)(=O)[*:1] C[C@@]12CC[C@@H]([C@@H](Br)C1=O)[C@]2(C)C[*:1]
COC(=O)c1cc(N)c(C(C)(C)C)c(N)c1 CC(C)(C)[*:1] COC(=O)c1cc(N)c(c(N)c1)[*:1]
COC(=O)c1cc(N)c(C(C)(C)C)c(N)c1 COC(=O)[*:1] CC(C)(C)c1c(N)cc(cc1N)[*:1]
Cc1cc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)c1ccccc1-c1nc(no1)[*:1]
Cc1cc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])c1ccccc1-c1nc(no1)-c1ccccc1
CCc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[*:1]
CCc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 CCc1ccc(cc1)N[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1ccc(Br)cc1
CCc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 Brc1ccc(cc1)[*:1] CCc1ccc(cc1)Nc1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
CCc1ccc(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 CCc1ccc(cc1)[*:1] O=C(NNc1ncnc(N[*:1])c1[N+](=O)[O-])c1ccc(Br)cc1
Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2c(F)cccc2F)cc1C Fc1cccc(F)c1[*:1] Cc1cc(c(cc1C)S(=O)(=O)NCC[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2c(F)cccc2F)cc1C O=[N+]([O-])[*:1] Cc1cc(c(cc1C)[*:1])S(=O)(=O)NCCc1c(F)cccc1F
CCn1cnc2sc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)c2c1=O Cc1ccc(cc1Cl)[*:1] CCn1cnc2sc(C(=O)N[*:1])c(C)c2c1=O
O=C(NCCc1cccc([N+](=O)[O-])c1)c1sccc1-n1cnnn1 O=[N+]([O-])[*:1] O=C(NCCc1cccc(c1)[*:1])c1sccc1-n1cnnn1
O=C(NCCc1cccc([N+](=O)[O-])c1)c1sccc1-n1cnnn1 c1nnnn1[*:1] O=C(NCCc1cccc(c1)[N+](=O)[O-])c1sccc1[*:1]
CC(C)[C@H](NC(=O)CC[NH3+])C(=O)[O-] CC(C)[*:1] [NH3+]CCC(=O)N[C@H](C(=O)[O-])[*:1]
CC(C)[C@H](NC(=O)CC[NH3+])C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NC(=O)CC[NH3+])[*:1]
CC(C)[C@H](NC(=O)CC[NH3+])C(=O)[O-] [NH3+]CC[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)[O-]
Cc1cc(NC(=O)CCOc2cccc(Cl)c2)no1 Cc1cc(no1)[*:1] O=C(CCOc1cccc(Cl)c1)N[*:1]
C[C@@H](Cc1ccco1)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 c1coc(c1)C[*:1] C[C@@H]([NH2+]C[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
C[C@@H](Cc1ccco1)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 c1coc(c1)[*:1] C[C@@H](C[*:1])[NH2+]C[C@H]1CCCN(C1)S(C)(=O)=O
Cc1ccc(NC(=O)N(C)CC[C@H](C)O)c(F)c1 C[C@H](O)CC[*:1] Cc1ccc(NC(=O)N(C)[*:1])c(F)c1
Cc1ccc(NC(=O)N(C)CC[C@H](C)O)c(F)c1 C[C@H](O)[*:1] Cc1ccc(NC(=O)N(C)CC[*:1])c(F)c1
Cc1ccc(NC(=O)N(C)CC[C@H](C)O)c(F)c1 C[C@H](O)C[*:1] Cc1ccc(NC(=O)N(C)C[*:1])c(F)c1
COc1ccc(C2=NO[C@H]([C@@H]3C=C(c4ccc5ccccc5c4)N=N3)N2)cc1 COc1ccc(cc1)[*:1] C1=C(N=N[C@@H]1[C@@H]1NC(=NO1)[*:1])c1ccc2ccccc2c1
COc1ccccc1CN(Cc1cccs1)S(=O)(=O)N1CCCCCC1 c1csc(c1)C[*:1] COc1ccccc1CN(S(=O)(=O)N1CCCCCC1)[*:1]
COc1ccccc1CN(Cc1cccs1)S(=O)(=O)N1CCCCCC1 c1csc(c1)[*:1] COc1ccccc1CN(C[*:1])S(=O)(=O)N1CCCCCC1
COc1ccccc1CN(Cc1cccs1)S(=O)(=O)N1CCCCCC1 COc1ccccc1[*:1] O=S(=O)(N1CCCCCC1)N(Cc1cccs1)C[*:1]
COc1ccccc1-n1cc(-c2ccccc2)[nH]c1=S c1ccc(cc1)[*:1] COc1ccccc1-n1cc([nH]c1=S)[*:1]
CCc1cnc2c(c1SCC(=O)OC)c(=O)n(C)c(=O)n2C COC(=O)CS[*:1] CCc1cnc2c(c1[*:1])c(=O)n(C)c(=O)n2C
CCc1cnc2c(c1SCC(=O)OC)c(=O)n(C)c(=O)n2C COC(=O)[*:1] CCc1cnc2c(c1SC[*:1])c(=O)n(C)c(=O)n2C
CCc1cnc2c(c1SCC(=O)OC)c(=O)n(C)c(=O)n2C COC(=O)C[*:1] CCc1cnc2c(c1S[*:1])c(=O)n(C)c(=O)n2C
NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 NC(=O)[*:1] O=C(OC[*:1])c1ccccc1-c1ncc(o1)-c1ccccc1
NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 NC(=O)COC(=O)[*:1] c1ccc(cc1)-c1cnc(o1)-c1ccccc1[*:1]
NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 NC(=O)C[*:1] O=C(O[*:1])c1ccccc1-c1ncc(o1)-c1ccccc1
NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] NC(=O)COC(=O)c1ccccc1-c1ncc(o1)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Cn2cccn2)CC1 c1cnn(c1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N1CCC(CC1)C[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Cn2cccn2)CC1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC(CC1)Cn1cccn1
O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Cn2cccn2)CC1 c1cnn(c1)C[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N1CCC(CC1)[*:1]
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O c1ccc2cc(ccc2c1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O)[*:1]
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O c1ccc2c(cccc2c1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2ccccc2c1
O=C(C[NH+]1CCC(O)CC1)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(C[NH+]1CCC(O)CC1)Nc1ccccc1[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C1=Cc2cc(OC)ccc2OC1 CC[C@@H](C)[*:1] COc1ccc2OCC(=Cc2c1)C(=O)N[C@@H](C)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C1=Cc2cc(OC)ccc2OC1 CC[C@@H](C)NC(=O)[*:1] COc1ccc2OCC(=Cc2c1)C(=O)N[C@@H](C)[*:1]
O=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1c2cccc3c(ccc(C(=O)N1[*:1])c23)NCCO
O=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1ccc(Br)cc1 OCCN[*:1] O=C1c2cccc3c(ccc(C(=O)N1c1ccc(Br)cc1)c23)[*:1]
O=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1ccc(Br)cc1 OCC[*:1] O=C1c2cccc3c(ccc(C(=O)N1c1ccc(Br)cc1)c23)N[*:1]
Cc1nn(C)cc1C[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O Cc1nn(C)cc1C[*:1] O=C1N(CCC[C@]1(O)C[NH2+][*:1])CC1CCCCC1
Cc1nn(C)cc1C[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O C1CCC(CC1)C[*:1] Cc1nn(C)cc1C[NH2+]C[C@@]1(O)CCCN(C1=O)[*:1]
Cc1nn(C)cc1C[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O C1CCC(CC1)[*:1] Cc1nn(C)cc1C[NH2+]C[C@@]1(O)CCCN(C[*:1])C1=O
Cc1nn(C)cc1C[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O Cc1nn(C)cc1[*:1] O=C1N(CCC[C@]1(O)C[NH2+]C[*:1])CC1CCCCC1
CCCCN(Cc1ccco1)C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O c1coc(c1)C[*:1] CCCCN(C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)[*:1]
CCCCN(Cc1ccco1)C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O c1coc(c1)[*:1] CCCCN(C[*:1])C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O
CCCCN(Cc1ccco1)C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O CCCC[*:1] O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)N(Cc1ccco1)[*:1]
CCCCN(Cc1ccco1)C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O CCC[*:1] O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)N(Cc1ccco1)C[*:1]
Cc1nn(-c2ccccc2)cc1CCCNC(=O)N1C[C@H]2CCCC[C@@H]2C1 c1ccc(cc1)[*:1] Cc1nn(cc1CCCNC(=O)N1C[C@H]2CCCC[C@@H]2C1)[*:1]
Cc1nc(N2CCOCC2)c2c(C)c(C(=O)Nc3cccc(Cl)c3C)sc2n1 C1CN(CCO1)[*:1] Cc1nc(c2c(C)c(sc2n1)C(=O)Nc1cccc(Cl)c1C)[*:1]
Cc1nc(N2CCOCC2)c2c(C)c(C(=O)Nc3cccc(Cl)c3C)sc2n1 Cc1c(Cl)cccc1[*:1] Cc1nc(c2c(C)c(sc2n1)C(=O)N[*:1])N1CCOCC1
CCN(CCO)c1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 CCN(CCO)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)[*:1]
CCN(CCO)c1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 OCC[*:1] CCN(c1cc[nH+]c(c1)CN1CCN(CC1)C(C)=O)[*:1]
O=C(c1ccncc1C#CCO)N1CC[C@@H](O)C1 OCC#C[*:1] O=C(c1ccncc1[*:1])N1CC[C@@H](O)C1
CCOC(=O)c1ccc(/N=C2/S[C@@H](C(=O)Nc3ccccc3)CC(=O)N2C)cc1 CCOC(=O)[*:1] CN1C(=O)C[C@@H](S/C1=N/c1ccc(cc1)[*:1])C(=O)Nc1ccccc1
CCOC(=O)c1ccc(/N=C2/S[C@@H](C(=O)Nc3ccccc3)CC(=O)N2C)cc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)/N=C1/S[C@H](CC(=O)N1C)C(=O)N[*:1]
CCOC(=O)c1ccc(/N=C2/S[C@@H](C(=O)Nc3ccccc3)CC(=O)N2C)cc1 O=C(Nc1ccccc1)[*:1] CCOC(=O)c1ccc(cc1)/N=C1/S[C@@H](CC(=O)N1C)[*:1]
COc1ccccc1Cn1c([C@@H](C)O)nc2ccccc21 C[C@@H](O)[*:1] COc1ccccc1Cn1c(nc2ccccc21)[*:1]
Cc1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)N[*:1]
Cc1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)NC(=O)CSc1nnc(n1-n1cccc1)[*:1]
Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2ccccn2)CC1 c1ccc(nc1)[*:1] Cc1[nH]c2ccccc2c1C1=CCN(CC1)C(=O)N[*:1]
Cc1nn(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c(C)c1Cl CN(C)C(=O)C[*:1] Cc1nn(CC(=O)N(CC(F)(F)F)[*:1])c(C)c1Cl
Cc1nn(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c(C)c1Cl FC(F)(F)C[*:1] Cc1nn(CC(=O)N(CC(=O)N(C)C)[*:1])c(C)c1Cl
Cc1nn(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c(C)c1Cl CN(C)C(=O)[*:1] Cc1nn(CC(=O)N(CC(F)(F)F)C[*:1])c(C)c1Cl
Cc1nn(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c(C)c1Cl FC(F)(F)[*:1] Cc1nn(CC(=O)N(CC(=O)N(C)C)C[*:1])c(C)c1Cl
Cc1cccc(N2C(=O)S/C(=C\c3cccc(F)c3)C2=O)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1)N1C(=O)SC(=C[*:1])C1=O
Cc1cccc(N2C(=O)S/C(=C\c3cccc(F)c3)C2=O)c1 Cc1cccc(c1)[*:1] O=C1S/C(=C\c2cccc(F)c2)C(=O)N1[*:1]
O[C@@H](c1ccccc1)C1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 c1ccc(cc1)[*:1] O[C@@H](C1(CC1)C[NH2+]C1CCN(CC1)c1cccc[nH+]1)[*:1]
O[C@@H](c1ccccc1)C1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 c1ccc([nH+]c1)[*:1] O[C@@H](c1ccccc1)C1(CC1)C[NH2+]C1CCN(CC1)[*:1]
O[C@@H](c1ccccc1)C1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 O[C@@H](c1ccccc1)[*:1] c1ccc([nH+]c1)N1CCC(CC1)[NH2+]CC1(CC1)[*:1]
O=S(=O)(c1ccccc1NCc1ccccc1F)C(F)F FC(F)[*:1] O=S(=O)(c1ccccc1NCc1ccccc1F)[*:1]
O=S(=O)(c1ccccc1NCc1ccccc1F)C(F)F O=S(=O)(C(F)F)[*:1] Fc1ccccc1CNc1ccccc1[*:1]
O=S(=O)(c1ccccc1NCc1ccccc1F)C(F)F Fc1ccccc1[*:1] O=S(=O)(c1ccccc1NC[*:1])C(F)F
O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 c1coc(c1)[*:1] O=S(=O)(NC[*:1])c1cccc(c1)NS(=O)(=O)c1ccc(F)c(F)c1F
O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 Fc1ccc(c(F)c1F)[*:1] O=S(=O)(NCc1ccco1)c1cccc(c1)NS(=O)(=O)[*:1]
O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 c1coc(c1)C[*:1] O=S(=O)(N[*:1])c1cccc(c1)NS(=O)(=O)c1ccc(F)c(F)c1F
COc1ccc(CCNC(=O)C2(c3cc(-c4ccc5c(c4)OCO5)on3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(NC[*:1])C1(CC1)c1cc(on1)-c1ccc2OCOc2c1
COc1ccc(CCNC(=O)C2(c3cc(-c4ccc5c(c4)OCO5)on3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])C1(CC1)c1cc(on1)-c1ccc2OCOc2c1
COc1ccc(CCNC(=O)C2(c3cc(-c4ccc5c(c4)OCO5)on3)CC2)cc1 COc1ccc(cc1)CC[*:1] O=C(N[*:1])C1(CC1)c1cc(on1)-c1ccc2OCOc2c1
COc1ccc(CCNC(=O)C2(c3cc(-c4ccc5c(c4)OCO5)on3)CC2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)CCNC(=O)C1(CC1)c1cc(on1)[*:1]
Cc1cc([C@](C)(O)CNCc2ccn(-c3ccccc3)n2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(c(C)o1)[C@](C)(O)CNCc1ccn(n1)[*:1]
Cc1cc([C@](C)(O)CNCc2ccn(-c3ccccc3)n2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@](O)(CNCc1ccn(n1)-c1ccccc1)[*:1]
Cc1ccc(C)c(CC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1 Cc1ccc(C)c(c1)[*:1] O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)C[*:1]
Cc1ccc(C)c(CC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)CC(=O)N1C[C@H]2CC[C@@H]1CN(C2)C(=O)[*:1]
Cc1ccc(C)c(CC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1 Cc1ccc(C)c(c1)C[*:1] O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
C[C@@H](OC(=O)[C@H]1CCCN1C(=O)C1CC1)c1ccc(Cl)s1 C1CC1[*:1] C[C@@H](OC(=O)[C@H]1CCCN1C(=O)[*:1])c1ccc(Cl)s1
C[C@@H](OC(=O)[C@H]1CCCN1C(=O)C1CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](OC(=O)[C@H]1CCCN1C(=O)C1CC1)[*:1]
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(c1)[*:1]
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 CC(C)(C)OC(=O)N[*:1] O=C(C[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(c1)C(F)(F)F
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 CC(C)(C)OC(=O)NC[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(c1)C(F)(F)F)[*:1]
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 CC(C)(C)[*:1] O=C(CNC(=O)O[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(c1)C(F)(F)F
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1ncc([C@@H](C)N[C@@H]2CCCN(c3cccnn3)C2)s1 Cc1ncc(s1)[*:1] C[C@@H](N[C@@H]1CCCN(C1)c1cccnn1)[*:1]
Cc1ncc([C@@H](C)N[C@@H]2CCCN(c3cccnn3)C2)s1 c1cnnc(c1)[*:1] Cc1ncc(s1)[C@@H](C)N[C@@H]1CCCN(C1)[*:1]
O=C(COc1ccccc1F)NNC(=O)c1ccccc1F Fc1ccccc1[*:1] O=C(CO[*:1])NNC(=O)c1ccccc1F
O=C(COc1ccccc1F)NNC(=O)c1ccccc1F Fc1ccccc1[*:1] O=C(COc1ccccc1F)NNC(=O)[*:1]
CCCCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 O=[N+]([O-])[*:1] CCCCSc1nc2NC3CCCC(=O)C=3[C@H](c3cccc(c3)[*:1])n2n1
CCCCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 CCCCS[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)c1cccc(c1)[N+](=O)[O-])[*:1]
CCCCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 O=[N+]([O-])c1cccc(c1)[*:1] CCCCSc1nc2NC3CCCC(=O)C=3[C@H](n2n1)[*:1]
CCCCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 CCC[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)c1cccc(c1)[N+](=O)[O-])SC[*:1]
CCCCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 CCCC[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)c1cccc(c1)[N+](=O)[O-])S[*:1]
O=c1oc2ccc(F)cc2cc1S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=c1oc2ccc(F)cc2cc1S(=O)(=O)[*:1]
C=CCN(CC=C)C(=O)CSC1=NC(=O)CC(N)=N1 C=CC[*:1] C=CCN(C(=O)CSC1N=C(N)CC(=O)N=1)[*:1]
CCCCN(C(=O)N[C@@H]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 C[C@H]1CCC[C@H](C1)[*:1] CCCCN(C(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@@H]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] C[C@H]1CCC[C@H](C1)NC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)N[C@@H]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCN(C(=O)N[C@@H]1CCC[C@H](C)C1)[*:1]
CCCCN(C(=O)N[C@@H]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] C[C@H]1CCC[C@H](C1)NC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] C#CCN1CCN(CC1)[C@@H](C)c1cccc(c1)[*:1]
C#CCN1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 C#CC[*:1] C[C@@H](c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCCN(C1=O)[*:1]
Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCCN(C[*:1])C1=O
CCOc1cc(/C=C2\C(=O)N=C(N)N2C)cc(Br)c1O CCO[*:1] CN1C(N)=NC(=O)/C1=C\c1cc(Br)c(O)c(c1)[*:1]
CCN(C)C(=O)N(CCO)Cc1ccccc1 OCC[*:1] CCN(C)C(=O)N(Cc1ccccc1)[*:1]
Cc1cc(NCCC[NH+](C)C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 Clc1ccc(cc1)[*:1] Cc1cc(NCCC[NH+](C)C)n2nc(C)c(c2n1)[*:1]
CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(c1ccc2ccccc2c1)S(=O)(=O)[*:1]
Cc1ccc2c(c1)c1ncn(Cc3nc(C)no3)c(=O)c1n2CC(=O)Nc1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] Cc1ccc2c(c1)c1ncn(Cc3nc(C)no3)c(=O)c1n2CC(=O)N[*:1]
Cc1ccc2c(c1)c1ncn(Cc3nc(C)no3)c(=O)c1n2CC(=O)Nc1ccc(C)c(F)c1 Cc1noc(n1)[*:1] Cc1ccc2c(c1)c1ncn(C[*:1])c(=O)c1n2CC(=O)Nc1ccc(C)c(F)c1
Cc1ccc2c(c1)c1ncn(Cc3nc(C)no3)c(=O)c1n2CC(=O)Nc1ccc(C)c(F)c1 Cc1ccc(cc1F)NC(=O)[*:1] Cc1ccc2c(c1)c1ncn(Cc3nc(C)no3)c(=O)c1n2C[*:1]
Cc1ccc2c(c1)c1ncn(Cc3nc(C)no3)c(=O)c1n2CC(=O)Nc1ccc(C)c(F)c1 Cc1noc(C[*:1])n1 Cc1ccc2c(c1)c1ncn(c(=O)c1n2CC(=O)Nc1ccc(C)c(F)c1)[*:1]
O=C(Nc1ccnn1C1CCCCC1)N[C@@H](CO)c1ccccc1 C1CCC(CC1)[*:1] O=C(Nc1ccnn1[*:1])N[C@@H](CO)c1ccccc1
O=C(Nc1ccnn1C1CCCCC1)N[C@@H](CO)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1C1CCCCC1)N[C@@H](CO)[*:1]
COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(Cl)cc1Cl COC(=O)[*:1] Cc1cc2O[C@@H]([C@H](c3ccc(Cl)cc3Cl)c2c(=O)o1)[*:1]
Cc1csc(N(C(=O)CSCc2coc(-c3ccccc3)n2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N(C(=O)CSCc1coc(n1)[*:1])c1ccccc1
Cc1csc(N(C(=O)CSCc2coc(-c3ccccc3)n2)c2ccccc2)n1 Cc1csc(n1)[*:1] O=C(CSCc1coc(n1)-c1ccccc1)N(c1ccccc1)[*:1]
Cc1csc(N(C(=O)CSCc2coc(-c3ccccc3)n2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N(C(=O)CSCc1coc(n1)-c1ccccc1)[*:1]
COc1ncccc1CNC(=O)NC1CCC([NH+]2CCCCC2)CC1 COc1ncccc1[*:1] O=C(NC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
CCCSc1cc([C@@H](C)[NH2+]C)ccn1 CCCS[*:1] C[NH2+][C@H](C)c1ccnc(c1)[*:1]
CCCSc1cc([C@@H](C)[NH2+]C)ccn1 CCC[*:1] C[NH2+][C@H](C)c1ccnc(c1)S[*:1]
CCCNC(=O)Nc1ccccc1C(C)C CC(C)[*:1] CCCNC(=O)Nc1ccccc1[*:1]
CCCNC(=O)Nc1ccccc1C(C)C CCC[*:1] CC(C)c1ccccc1NC(=O)N[*:1]
COC(=O)c1cccc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)/C=C/c1cnn(c1)-c1ccccc1
COC(=O)c1cccc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)c1C c1ccc(cc1)[*:1] COC(=O)c1cccc(NC(=O)/C=C/c2cnn(c2)[*:1])c1C
CN(CCS(C)(=O)=O)C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1
CN(CCS(C)(=O)=O)C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1
CN(CCS(C)(=O)=O)C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 CS(=O)(=O)CC[*:1] CN(C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1)[*:1]
COc1ccccc1N1CCN(C(=O)c2ccc(COC(C)C)cc2)CC1 COc1ccccc1[*:1] CC(C)OCc1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C(=O)c2ccc(COC(C)C)cc2)CC1 CC(C)OC[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COc1ccccc1N1CCN(C(=O)c2ccc(COC(C)C)cc2)CC1 CC(C)[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)CO[*:1]
COc1ccccc1N1CCN(C(=O)c2ccc(COC(C)C)cc2)CC1 CC(C)O[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)C[*:1]
CCc1cc2c(=O)n(-c3cccc(Cl)c3)c(=O)n(CC(=O)Nc3ccccc3C(=O)OC)c2s1 COC(=O)[*:1] CCc1cc2c(=O)n(-c3cccc(Cl)c3)c(=O)n(CC(=O)Nc3ccccc3[*:1])c2s1
CCc1cc2c(=O)n(-c3cccc(Cl)c3)c(=O)n(CC(=O)Nc3ccccc3C(=O)OC)c2s1 Clc1cccc(c1)[*:1] CCc1cc2c(=O)n(c(=O)n(CC(=O)Nc3ccccc3C(=O)OC)c2s1)[*:1]
CCc1cc2c(=O)n(-c3cccc(Cl)c3)c(=O)n(CC(=O)Nc3ccccc3C(=O)OC)c2s1 COC(=O)c1ccccc1[*:1] CCc1cc2c(=O)n(-c3cccc(Cl)c3)c(=O)n(CC(=O)N[*:1])c2s1
CCOc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2C)cc1 C1CC1[*:1] CCOc1ccc(cc1)C(=O)Nc1cccc(NC(=O)[*:1])c1C
CCOc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2C)cc1 O=C(N[*:1])C1CC1 CCOc1ccc(cc1)C(=O)Nc1cccc(c1C)[*:1]
CCOc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2C)cc1 CCO[*:1] Cc1c(cccc1NC(=O)C1CC1)NC(=O)c1ccc(cc1)[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(C)c1 Clc1ccc(cc1Cl)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)[*:1])c(C)c1
C[C@H](CNS(=O)(=O)CCC(=O)[O-])c1ccccc1 O=C([O-])C[*:1] C[C@H](CNS(=O)(=O)C[*:1])c1ccccc1
C[C@H](CNS(=O)(=O)CCC(=O)[O-])c1ccccc1 O=C([O-])[*:1] C[C@H](CNS(=O)(=O)CC[*:1])c1ccccc1
C[C@H](CNS(=O)(=O)CCC(=O)[O-])c1ccccc1 O=C([O-])CC[*:1] C[C@H](CNS(=O)(=O)[*:1])c1ccccc1
C[C@H](CNS(=O)(=O)CCC(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNS(=O)(=O)CCC(=O)[O-])[*:1]
CCc1cccc(C)c1NC(=O)N1C[C@@H](O)C[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] CCc1cccc(C)c1NC(=O)N1C[C@@H](O)C[C@H]1[*:1]
N#Cc1ccccc1Oc1ccc(NCc2nnc(C3CCC3)o2)cc1F N#Cc1ccccc1O[*:1] Fc1cc(ccc1[*:1])NCc1nnc(o1)C1CCC1
N#Cc1ccccc1Oc1ccc(NCc2nnc(C3CCC3)o2)cc1F C1CC(C1)c1nnc(o1)[*:1] N#Cc1ccccc1Oc1ccc(cc1F)NC[*:1]
N#Cc1ccccc1Oc1ccc(NCc2nnc(C3CCC3)o2)cc1F C1CC(C1)[*:1] N#Cc1ccccc1Oc1ccc(cc1F)NCc1nnc(o1)[*:1]
N#Cc1ccccc1Oc1ccc(NCc2nnc(C3CCC3)o2)cc1F N#Cc1ccccc1[*:1] Fc1cc(ccc1O[*:1])NCc1nnc(o1)C1CCC1
O=C(CC1CCSCC1)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(CC1CCSCC1)NC[C@H]1CCCN(C1)[*:1]
O=C(CC1CCSCC1)NC[C@H]1CCCN(c2ncccn2)C1 C1CC(CCS1)[*:1] O=C(C[*:1])NC[C@H]1CCCN(C1)c1ncccn1
O=C(CC1CCSCC1)NC[C@H]1CCCN(c2ncccn2)C1 C1CC(CCS1)C[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCC1 O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)/C=C/c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCC1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)C=C[*:1]
Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1ccc(OC(F)F)cc1)C(=O)N1CCOCC1 FC(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])C(=O)N1CCOCC1
O=C(Nc1ccc(OC(F)F)cc1)C(=O)N1CCOCC1 FC(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CCOCC1
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(N(C)C)cc1 CN(C)c1ccc(cc1)[*:1] COC(=O)C1=C(C)NC2C[C@H](CC(=O)C=2[C@H]1[*:1])c1cccs1
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(N(C)C)cc1 c1csc(c1)[*:1] COC(=O)C1=C(C)NC2C[C@@H](CC(=O)C=2[C@@H]1c1ccc(cc1)N(C)C)[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(N(C)C)cc1 COC(=O)[*:1] CC1NC2C[C@H](CC(=O)C=2[C@@H](C=1[*:1])c1ccc(cc1)N(C)C)c1cccs1
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(N(C)C)cc1 CN(C)[*:1] COC(=O)C1=C(C)NC2C[C@H](CC(=O)C=2[C@@H]1c1ccc(cc1)[*:1])c1cccs1
CO[C@H](C)C(=O)Nc1c(F)cc(C)cc1I CO[C@H](C)[*:1] Cc1cc(F)c(NC(=O)[*:1])c(I)c1
C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(CC#N)cc2)C1 N#CC[*:1] C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(cc2)[*:1])C1
CCO[C@@H](CC)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CCO[C@@H](CC)C(=O)Nc1cnc(s1)[*:1]
CCO[C@@H](CC)C(=O)Nc1cnc(-c2ccccc2)s1 CCO[*:1] CC[C@@H](C(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
CCO[C@@H](CC)C(=O)Nc1cnc(-c2ccccc2)s1 CCO[C@@H](CC)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)[*:1]
COC(=O)[C@H]1CCCCN1C[C@H](O)COc1cccc2ccccc12 COC(=O)[*:1] O[C@H](COc1cccc2ccccc12)CN1CCCC[C@@H]1[*:1]
Cc1cc(Cl)cc2sc(N(Cc3ccncc3)C(=O)Cc3ccccc3)nc12 c1cc(ccn1)[*:1] Cc1cc(Cl)cc2sc(nc12)N(C[*:1])C(=O)Cc1ccccc1
Cc1cc(Cl)cc2sc(N(Cc3ccncc3)C(=O)Cc3ccccc3)nc12 c1cc(ccn1)C[*:1] Cc1cc(Cl)cc2sc(nc12)N(C(=O)Cc1ccccc1)[*:1]
Cc1cc(Cl)cc2sc(N(Cc3ccncc3)C(=O)Cc3ccccc3)nc12 c1ccc(cc1)C[*:1] Cc1cc(Cl)cc2sc(nc12)N(Cc1ccncc1)C(=O)[*:1]
Cc1cc(Cl)cc2sc(N(Cc3ccncc3)C(=O)Cc3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1cc(Cl)cc2sc(nc12)N(Cc1ccncc1)C(=O)C[*:1]
Cc1sc(C2=NN=C(C(F)(F)F)C2)cc1S(=O)(=O)[N-]c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1sc(cc1S(=O)(=O)[N-][*:1])C1CC(=NN=1)C(F)(F)F
Cc1sc(C2=NN=C(C(F)(F)F)C2)cc1S(=O)(=O)[N-]c1cccc(F)c1 FC(F)(F)[*:1] Cc1sc(cc1S(=O)(=O)[N-]c1cccc(F)c1)C1CC(=NN=1)[*:1]
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1cccs1 c1csc(c1)C[*:1] O=C(Cn1nc(c2CCCc21)C(F)(F)F)N[*:1]
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1cccs1 c1csc(c1)[*:1] O=C(Cn1nc(c2CCCc21)C(F)(F)F)NC[*:1]
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1cccs1 FC(F)(F)[*:1] O=C(Cn1nc(c2CCCc21)[*:1])NCc1cccs1
O=C(CCn1cncn1)Nc1ccnn1Cc1ccc(Cl)cc1 c1ncn(C[*:1])n1 O=C(C[*:1])Nc1ccnn1Cc1ccc(Cl)cc1
O=C(CCn1cncn1)Nc1ccnn1Cc1ccc(Cl)cc1 c1ncn(n1)[*:1] O=C(CC[*:1])Nc1ccnn1Cc1ccc(Cl)cc1
O=C(CCn1cncn1)Nc1ccnn1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCn1cncn1)Nc1ccnn1C[*:1]
O=C(CCn1cncn1)Nc1ccnn1Cc1ccc(Cl)cc1 c1ncn(CC[*:1])n1 O=C(Nc1ccnn1Cc1ccc(Cl)cc1)[*:1]
C[C@H]([NH3+])[C@H](SC[C@H](O)CO)c1ccc(Br)s1 OC[C@@H](O)C[*:1] C[C@H]([NH3+])[C@H](S[*:1])c1ccc(Br)s1
C[C@H]([NH3+])[C@H](SC[C@H](O)CO)c1ccc(Br)s1 OC[C@@H](O)[*:1] C[C@H]([NH3+])[C@H](SC[*:1])c1ccc(Br)s1
COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C(=O)N(C)C)cc1 COc1ccccc1[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc3ccccc3n2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)/C=C/c1ccc2ccccc2n1)[*:1]
c1ccc(COc2cccc(CN3CC[C@@H](CN4CCOCC4)C3)c2)nc1 c1ccc(CO[*:1])nc1 c1cc(cc(c1)[*:1])CN1CC[C@@H](CN2CCOCC2)C1
c1ccc(COc2cccc(CN3CC[C@@H](CN4CCOCC4)C3)c2)nc1 c1ccc(C[*:1])nc1 c1cc(cc(c1)O[*:1])CN1CC[C@@H](CN2CCOCC2)C1
c1ccc(COc2cccc(CN3CC[C@@H](CN4CCOCC4)C3)c2)nc1 c1ccc(nc1)[*:1] c1cc(cc(c1)OC[*:1])CN1CC[C@@H](CN2CCOCC2)C1
c1ccc(COc2cccc(CN3CC[C@@H](CN4CCOCC4)C3)c2)nc1 C1CN(CCO1)[*:1] c1ccc(COc2cccc(c2)CN2CC[C@H](C2)C[*:1])nc1
c1ccc(COc2cccc(CN3CC[C@@H](CN4CCOCC4)C3)c2)nc1 C1CN(CCO1)C[*:1] c1ccc(COc2cccc(c2)CN2CC[C@@H](C2)[*:1])nc1
C=CCNC(=O)Nc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1 C=CC[*:1] O=C(Nc1ccc(cc1)NC(=O)c1cccc2[nH]ccc12)N[*:1]
C=CCNC(=O)Nc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1 C=CCNC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc2[nH]ccc12
CN(Cc1ccccc1N1CCCC1)C(=O)c1ccncc1Cl Clc1cnccc1[*:1] CN(Cc1ccccc1N1CCCC1)C(=O)[*:1]
CN(Cc1ccccc1N1CCCC1)C(=O)c1ccncc1Cl C1CCN(C1)[*:1] CN(Cc1ccccc1[*:1])C(=O)c1ccncc1Cl
CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2(c3ccc(Br)cc3)CC2)c1 CCN(CC)S(=O)(=O)[*:1] O=C(NC1(CC1)c1ccc(Br)cc1)c1cccc(c1)[*:1]
CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2(c3ccc(Br)cc3)CC2)c1 Brc1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NC1(CC1)[*:1]
Cc1cnc(C(=O)NCCCc2ccccc2)cn1 c1ccc(cc1)[*:1] Cc1cnc(cn1)C(=O)NCCC[*:1]
CC(C)[NH2+][C@H]1C[C@@H](Cc2cc(CO)on2)C1(C)C CC(C)[*:1] CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1[NH2+][*:1]
CC(C)CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=C(C(c1ccccc1)c1ccccc1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CC(C)CN(C(=O)C(c1ccccc1)[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 CC(C)C[*:1] O=C(C(c1ccccc1)c1ccccc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCOC(=O)[C@@]1(CC)O[C@]12CC[C@H](C)C2 CCOC(=O)[*:1] CC[C@]1(O[C@]12CC[C@H](C)C2)[*:1]
Cc1csc(S[C@H](C)C(=O)NC[C@H]2CCCO2)n1 C1CO[C@H](C1)[*:1] Cc1csc(n1)S[C@H](C)C(=O)NC[*:1]
Cc1csc(S[C@H](C)C(=O)NC[C@H]2CCCO2)n1 Cc1csc(n1)[*:1] C[C@@H](S[*:1])C(=O)NC[C@H]1CCCO1
Cc1csc(S[C@H](C)C(=O)NC[C@H]2CCCO2)n1 C1CO[C@H](C1)C[*:1] Cc1csc(n1)S[C@H](C)C(=O)N[*:1]
CC[C@@H](CO)[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12 CC[C@@H](CO)[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][*:1])[C@H]3[C@@H]3O[C@@]132
Cc1cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1-c1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1-c1ccc(cc1)[*:1]
Cc1cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1-c1ccc(C(N)=O)cc1 Fc1cccc(Cl)c1[*:1] Cc1cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1-c1ccc(cc1)C(N)=O
Cc1cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1-c1ccc(C(N)=O)cc1 NC(=O)c1ccc(cc1)[*:1] Cc1cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1[*:1]
Cc1cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1-c1ccc(C(N)=O)cc1 Fc1cccc(Cl)c1C[*:1] Cc1cn2c3c(=O)n(c(=O)n(C)c3nc2n1-c1ccc(cc1)C(N)=O)[*:1]
Cc1ccc(NC(=O)CCc2cnn(C)c2C)cc1S(C)(=O)=O Cc1c(cnn1C)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)CC[*:1]
Cc1ccc(NC(=O)CCc2cnn(C)c2C)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)CCc1cnn(C)c1C
N#CC1(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)CCCCC1 c1coc(c1)[*:1] N#CC1(CCCCC1)NC(=O)COc1cccc(c1)NC(=O)[*:1]
N#CC1(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)CCCCC1 O=C(N[*:1])c1ccco1 N#CC1(CCCCC1)NC(=O)COc1cccc(c1)[*:1]
N#CC1(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)CCCCC1 N#CC1(CCCCC1)[*:1] O=C(COc1cccc(c1)NC(=O)c1ccco1)N[*:1]
CCOC(=O)CN1C(=O)CC2(CCCC2)CC1=O CCOC(=O)[*:1] O=C1CC2(CCCC2)CC(=O)N1C[*:1]
CCOC(=O)CN1C(=O)CC2(CCCC2)CC1=O CCOC(=O)C[*:1] O=C1CC2(CCCC2)CC(=O)N1[*:1]
CCC[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(C)cc1OCC CCC[*:1] CCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(C)cc1OCC CCO[*:1] CCC[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(C)cc1[*:1]
C[C@@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H]1Cc2ccccc2N1S(=O)(=O)C[*:1]
CCCc1nnc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)s1 Cc1cccc(c1)[*:1] CCCc1nnc(NC(=O)CSc2nnc(n2C)[*:1])s1
CCCc1nnc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)s1 CCC[*:1] Cc1cccc(c1)-c1nnc(SCC(=O)Nc2nnc(s2)[*:1])n1C
CCCc1nnc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)s1 CCCc1nnc(s1)[*:1] Cc1cccc(c1)-c1nnc(SCC(=O)N[*:1])n1C
CC(C)(O)CNC(=O)CCn1nc([O-])c2ccccc2c1=O CC(C)(O)[*:1] O=C(CCn1nc([O-])c2ccccc2c1=O)NC[*:1]
CC(C)(O)CNC(=O)CCn1nc([O-])c2ccccc2c1=O CC(C)(O)C[*:1] O=C(CCn1nc([O-])c2ccccc2c1=O)N[*:1]
CCOC(=O)Cn1ccc(=O)c2cc(OCC)ccc21 CCO[*:1] CCOC(=O)Cn1ccc(=O)c2cc(ccc21)[*:1]
CCOC(=O)Cn1ccc(=O)c2cc(OCC)ccc21 CCOC(=O)C[*:1] CCOc1ccc2c(c1)c(=O)ccn2[*:1]
CCOC(=O)Cn1ccc(=O)c2cc(OCC)ccc21 CCOC(=O)[*:1] CCOc1ccc2c(c1)c(=O)ccn2C[*:1]
Cc1csc(Sc2ccc(NC(=O)N[C@@H](C)CCCO)cc2)n1 Cc1csc(n1)S[*:1] C[C@@H](CCCO)NC(=O)Nc1ccc(cc1)[*:1]
Cc1csc(Sc2ccc(NC(=O)N[C@@H](C)CCCO)cc2)n1 OCCC[*:1] Cc1csc(n1)Sc1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
Cc1csc(Sc2ccc(NC(=O)N[C@@H](C)CCCO)cc2)n1 OCC[*:1] Cc1csc(n1)Sc1ccc(cc1)NC(=O)N[C@@H](C)C[*:1]
Cc1csc(Sc2ccc(NC(=O)N[C@@H](C)CCCO)cc2)n1 Cc1csc(n1)[*:1] C[C@@H](CCCO)NC(=O)Nc1ccc(cc1)S[*:1]
Cc1csc(Sc2ccc(NC(=O)N[C@@H](C)CCCO)cc2)n1 C[C@@H](CCCO)[*:1] Cc1csc(n1)Sc1ccc(cc1)NC(=O)N[*:1]
C=CC(=O)Oc1ccc(N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 C=CC(=O)O[*:1] CC1=CC[C@@H]2C(=O)N(C(=O)[C@H]2C1)c1ccc(cc1)[*:1]
Cc1cscc1[C@@H](Cl)c1ccc2c(c1)C[C@@H](C)O2 Cc1cscc1[*:1] C[C@@H]1Cc2cc(ccc2O1)[C@H](Cl)[*:1]
Cc1nc2ccccc2n1CCCNc1ccc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nc2ccccc2n1CCCNc1ccc(C#N)cc1[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])N[C@H]1CCC[C@@H](C1)O[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 FC(F)(F)CO[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])N[C@H]1CCC[C@H](C1)[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])N[C@H]1CCC[C@@H](C1)OC[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H]1CCC[C@@H](C1)OCC(F)(F)F
Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 Cc1ccn(C)c(=O)c1[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)C(=O)N[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1CCC[C@H]1[*:1]
N#CCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 N#CC[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2o1)[*:1]
N#CCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 N#CCC(=O)N[*:1] c1ccc2oc(nc2c1)-c1ccc(cc1)[*:1]
C[C@@H](CNc1ncc(C(N)=O)cc1Cl)Nc1ccccc1 NC(=O)[*:1] C[C@@H](CNc1ncc(cc1Cl)[*:1])Nc1ccccc1
C[C@@H](CNc1ncc(C(N)=O)cc1Cl)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@@H](CNc1ncc(cc1Cl)C(N)=O)[*:1]
C[C@@H](CNc1ncc(C(N)=O)cc1Cl)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNc1ncc(cc1Cl)C(N)=O)N[*:1]
O=C1[C@H]([C@H](O)c2ccc(O)cc2)C(C(F)(F)F)=NN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](C(=NN1[*:1])C(F)(F)F)[C@H](O)c1ccc(O)cc1
O=C1[C@H]([C@H](O)c2ccc(O)cc2)C(C(F)(F)F)=NN1c1ccccc1 FC(F)(F)[*:1] O=C1[C@@H](C(=NN1c1ccccc1)[*:1])[C@H](O)c1ccc(O)cc1
O=C1[C@H]([C@H](O)c2ccc(O)cc2)C(C(F)(F)F)=NN1c1ccccc1 Oc1ccc(cc1)[*:1] O=C1[C@@H](C(=NN1c1ccccc1)C(F)(F)F)[C@H](O)[*:1]
Cc1ccsc1CNC[C@@H]([NH3+])Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ccsc1CNC[C@@H]([NH3+])C[*:1]
Cc1ccsc1CNC[C@@H]([NH3+])Cc1ccccc1 Cc1ccsc1[*:1] [NH3+][C@H](CNC[*:1])Cc1ccccc1
CC(C)[C@H](C#N)OC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 C[C@@H]1C[C@H]1C(=O)N[*:1] CC(C)[C@H](C#N)OC(=O)c1cccc(c1)[*:1]
CC(C)[C@H](C#N)OC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 C[C@@H]1C[C@H]1[*:1] CC(C)[C@H](C#N)OC(=O)c1cccc(c1)NC(=O)[*:1]
CC(C)[C@H](C#N)OC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 CC(C)[*:1] C[C@@H]1C[C@H]1C(=O)Nc1cccc(c1)C(=O)O[C@@H](C#N)[*:1]
CNS(=O)(=O)c1ccc(CCc2nc(-c3cccnn3)no2)cc1 CNS(=O)(=O)[*:1] c1cnnc(c1)-c1noc(CCc2ccc(cc2)[*:1])n1
CNS(=O)(=O)c1ccc(CCc2nc(-c3cccnn3)no2)cc1 c1cnnc(c1)[*:1] CNS(=O)(=O)c1ccc(cc1)CCc1nc(no1)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@H](C)c1c(F)cccc1Cl CSC[*:1] CC[C@@H](N(C)C(=O)N[C@H](C)c1c(F)cccc1Cl)[*:1]
CC(=O)NCc1ccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)cc1 CC(=O)NC[*:1] O=C(NC1CC1)c1cccc(c1)OC(=O)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)cc1 CC(=O)N[*:1] O=C(NC1CC1)c1cccc(c1)OC(=O)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)cc1 O=C(NC1CC1)[*:1] CC(=O)NCc1ccc(cc1)C(=O)Oc1cccc(c1)[*:1]
CC(=O)NCc1ccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)cc1 C1CC1[*:1] CC(=O)NCc1ccc(cc1)C(=O)Oc1cccc(c1)C(=O)N[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1cccs1)[NH+](C)C c1csc(c1)[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]([NH+](C)C)[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1cccs1)[NH+](C)C Clc1ccc(c(Cl)c1)[*:1] C[C@@H](O[*:1])C(=O)NC[C@@H](c1cccs1)[NH+](C)C
Cc1nccn1-c1cc(N2CCC(C(=O)N3CCC(C)CC3)CC2)ncn1 CC1CCN(CC1)C(=O)[*:1] Cc1nccn1-c1cc(ncn1)N1CCC(CC1)[*:1]
Cc1nccn1-c1cc(N2CCC(C(=O)N3CCC(C)CC3)CC2)ncn1 Cc1nccn1[*:1] CC1CCN(CC1)C(=O)C1CCN(CC1)c1cc(ncn1)[*:1]
CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)Nc2ccc(C)cc2C)c1C O=C(CCl)N[*:1] CCOC(=O)c1c(sc(C(=O)Nc2ccc(C)cc2C)c1C)[*:1]
CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)Nc2ccc(C)cc2C)c1C Cc1ccc(c(C)c1)[*:1] CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)N[*:1])c1C
CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)Nc2ccc(C)cc2C)c1C CCOC(=O)[*:1] Cc1ccc(NC(=O)c2sc(NC(=O)CCl)c(c2C)[*:1])c(C)c1
C[C@H](O)C[C@@H]1CCCCN1S(=O)(=O)CCc1ccccn1 c1ccc(nc1)[*:1] C[C@H](O)C[C@@H]1CCCCN1S(=O)(=O)CC[*:1]
C[C@H](O)C[C@@H]1CCCCN1S(=O)(=O)CCc1ccccn1 c1ccc(C[*:1])nc1 C[C@H](O)C[C@@H]1CCCCN1S(=O)(=O)C[*:1]
C[C@H](O)C[C@@H]1CCCCN1S(=O)(=O)CCc1ccccn1 C[C@H](O)[*:1] O=S(=O)(CCc1ccccn1)N1CCCC[C@H]1C[*:1]
C[C@H](O)C[C@@H]1CCCCN1S(=O)(=O)CCc1ccccn1 C[C@H](O)C[*:1] O=S(=O)(CCc1ccccn1)N1CCCC[C@H]1[*:1]
CCCS(=O)(=O)CC(=O)N[C@@H](C)c1c(C)noc1C CCC[*:1] Cc1noc(C)c1[C@H](C)NC(=O)CS(=O)(=O)[*:1]
CCCS(=O)(=O)CC(=O)N[C@@H](C)c1c(C)noc1C CCCS(=O)(=O)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)C[*:1]
Cc1ccc(OCCNC(=O)N2CCC(OCc3ccccc3)CC2)cc1 c1ccc(cc1)CO[*:1] Cc1ccc(cc1)OCCNC(=O)N1CCC(CC1)[*:1]
Cc1ccc(OCCNC(=O)N2CCC(OCc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OCCNC(=O)N1CCC(CC1)OC[*:1]
Cc1ccc(OCCNC(=O)N2CCC(OCc3ccccc3)CC2)cc1 Cc1ccc(cc1)OC[*:1] O=C(NC[*:1])N1CCC(CC1)OCc1ccccc1
Cc1ccc(OCCNC(=O)N2CCC(OCc3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])N1CCC(CC1)OCc1ccccc1
Cc1ccc(OCCNC(=O)N2CCC(OCc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)OCCNC(=O)N1CCC(CC1)O[*:1]
Cc1ccc(OCCNC(=O)N2CCC(OCc3ccccc3)CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(NCC[*:1])N1CCC(CC1)OCc1ccccc1
C[C@@H](c1ccco1)N(C(=O)Nc1cccc(N2CCCCC2)c1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)Nc1cccc(c1)N1CCCCC1)C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)Nc1cccc(N2CCCCC2)c1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1cccc(c1)N1CCCCC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)Nc1cccc(N2CCCCC2)c1)C1CC1 C1CCN(CC1)[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1cccc(c1)[*:1])C1CC1
O=S(=O)(c1ccccc1Cl)N1CCN(C2CCSCC2)CC1 Clc1ccccc1[*:1] O=S(=O)(N1CCN(CC1)C1CCSCC1)[*:1]
O=S(=O)(c1ccccc1Cl)N1CCN(C2CCSCC2)CC1 C1CC(CCS1)[*:1] O=S(=O)(c1ccccc1Cl)N1CCN(CC1)[*:1]
Cc1ccccc1-c1cccc(CN2CCn3c(nnc3C(F)(F)F)C2)c1 Cc1ccccc1[*:1] FC(F)(F)c1nnc2CN(CCn21)Cc1cccc(c1)[*:1]
Cc1ccccc1-c1cccc(CN2CCn3c(nnc3C(F)(F)F)C2)c1 FC(F)(F)[*:1] Cc1ccccc1-c1cccc(c1)CN1CCn2c(C1)nnc2[*:1]
CC(C)c1ccc([C@@H](NC(=O)[C@@H]2CCC(=O)O2)c2cccs2)cc1 c1csc(c1)[*:1] CC(C)c1ccc(cc1)[C@@H](NC(=O)[C@@H]1CCC(=O)O1)[*:1]
CC(C)c1ccc([C@@H](NC(=O)[C@@H]2CCC(=O)O2)c2cccs2)cc1 CC(C)[*:1] O=C1CC[C@H](O1)C(=O)N[C@H](c1ccc(cc1)[*:1])c1cccs1
CCN(C(=O)c1cn(Cc2ccccn2)nn1)c1ccccc1C c1ccc(C[*:1])nc1 CCN(C(=O)c1cn(nn1)[*:1])c1ccccc1C
CCN(C(=O)c1cn(Cc2ccccn2)nn1)c1ccccc1C c1ccc(nc1)[*:1] CCN(C(=O)c1cn(C[*:1])nn1)c1ccccc1C
CCN(C(=O)c1cn(Cc2ccccn2)nn1)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)c1cn(Cc2ccccn2)nn1)[*:1]
Fc1ccccc1[C@H](CBr)CCCOc1ccccc1 c1ccc(cc1)[*:1] Fc1ccccc1[C@H](CBr)CCCO[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C[C@H](O)c2cccc(F)c2)C1 CC(C)(C)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N[C@H]1CCCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C[C@H](O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)NC(=O)C[C@H](O)[*:1]
CC(=O)Nc1nc(CC(=O)NCc2cccnc2)cs1 c1cncc(c1)[*:1] CC(=O)Nc1nc(cs1)CC(=O)NC[*:1]
CC(=O)Nc1nc(CC(=O)NCc2cccnc2)cs1 CC(=O)N[*:1] O=C(Cc1csc(n1)[*:1])NCc1cccnc1
C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)NCC(=O)N(C)CC(F)(F)F)CC1 FC(F)(F)C[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NCC(=O)N(C)[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)NCC(=O)N(C)CC(F)(F)F)CC1 FC(F)(F)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NCC(=O)N(C)C[*:1]
C[C@@H](CO)CSCc1nnc(-c2ccc(Br)o2)o1 C[C@@H](CO)CS[*:1] Brc1ccc(o1)-c1nnc(C[*:1])o1
C[C@@H](CO)CSCc1nnc(-c2ccc(Br)o2)o1 C[C@@H](CO)[*:1] Brc1ccc(o1)-c1nnc(CSC[*:1])o1
C[C@@H](CO)CSCc1nnc(-c2ccc(Br)o2)o1 Brc1ccc(o1)[*:1] C[C@@H](CO)CSCc1nnc(o1)[*:1]
C[C@@H](CO)CSCc1nnc(-c2ccc(Br)o2)o1 C[C@@H](CO)C[*:1] Brc1ccc(o1)-c1nnc(CS[*:1])o1
O=C(NCc1ccc(F)cc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 Fc1ccc(cc1)C[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1-c1ccc(F)cc1)C(=O)N[*:1]
O=C(NCc1ccc(F)cc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 Fc1ccc(cc1)[*:1] O=C(NC[*:1])C(=O)Nc1c2CS(=O)(=O)Cc2nn1-c1ccc(F)cc1
O=C(NCc1ccc(F)cc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 Fc1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)N(CC1CC1)c1ccccc1 C1CC1[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N(C[*:1])c1ccccc1
C=C1c2ccccc2C(=O)N1CCC(=O)N(CC1CC1)c1ccccc1 C1CC1C[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N(c1ccccc1)[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)N(CC1CC1)c1ccccc1 c1ccc(cc1)[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N(CC1CC1)[*:1]
CN1CCc2nc(NC(=O)c3cccc(OCc4ccccc4)c3)sc2C1 c1ccc(cc1)C[*:1] CN1CCc2nc(NC(=O)c3cccc(c3)O[*:1])sc2C1
CN1CCc2nc(NC(=O)c3cccc(OCc4ccccc4)c3)sc2C1 c1ccc(cc1)CO[*:1] CN1CCc2nc(NC(=O)c3cccc(c3)[*:1])sc2C1
CN1CCc2nc(NC(=O)c3cccc(OCc4ccccc4)c3)sc2C1 c1ccc(cc1)[*:1] CN1CCc2nc(NC(=O)c3cccc(c3)OC[*:1])sc2C1
CCOC(=O)Cc1cc(=O)oc2cc3c(cc12)CCC(C)(C)O3 CCOC(=O)[*:1] CC1(C)CCc2cc3c(cc(=O)oc3cc2O1)C[*:1]
CCOC(=O)Cc1cc(=O)oc2cc3c(cc12)CCC(C)(C)O3 CCOC(=O)C[*:1] CC1(C)CCc2cc3c(cc(=O)oc3cc2O1)[*:1]
CCc1cccc(NC(=O)NCCNc2cc(-n3cccn3)nc(C)n2)c1 CCc1cccc(c1)[*:1] Cc1nc(cc(n1)-n1cccn1)NCCNC(=O)N[*:1]
CCc1cccc(NC(=O)NCCNc2cc(-n3cccn3)nc(C)n2)c1 c1cnn(c1)[*:1] CCc1cccc(c1)NC(=O)NCCNc1cc(nc(C)n1)[*:1]
COC(CNC(=S)Nc1ccccc1)OC COC(OC)[*:1] S=C(NC[*:1])Nc1ccccc1
CCCOC[C@@H]([NH3+])C(C)(C)N(C)C CN(C)[*:1] CCCOC[C@@H]([NH3+])C(C)(C)[*:1]
CCCOC[C@@H]([NH3+])C(C)(C)N(C)C CCCO[*:1] CN(C)C(C)(C)[C@H]([NH3+])C[*:1]
CCCOC[C@@H]([NH3+])C(C)(C)N(C)C CCC[*:1] CN(C)C(C)(C)[C@H]([NH3+])CO[*:1]
O=C(NCc1cccs1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 O=S(=O)(N1CCCC1)[*:1] O=C(NCc1cccs1)c1nnc(o1)-c1ccc(cc1)[*:1]
O=C(NCc1cccs1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 c1csc(c1)C[*:1] O=C(N[*:1])c1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(NCc1cccs1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 c1csc(c1)[*:1] O=C(NC[*:1])c1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(NCc1cccs1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 O=C(NCc1cccs1)[*:1] O=S(=O)(c1ccc(cc1)-c1nnc(o1)[*:1])N1CCCC1
O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]C1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]C1CCCCC1)[*:1]
O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]C1CCCCC1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]([NH2+]C1CCCCC1)c1ccccc1
CC(C)c1cc(C(=O)NCC(=O)Nc2ccccc2)nn1C c1ccc(cc1)[*:1] CC(C)c1cc(nn1C)C(=O)NCC(=O)N[*:1]
CC(C)c1cc(C(=O)NCC(=O)Nc2ccccc2)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)NCC(=O)Nc1ccccc1
CCOC(=O)c1sc2nc(SCC(=O)N3CCCc4ccccc43)n(N)c(=O)c2c1C CCOC(=O)[*:1] Cc1c(sc2nc(SCC(=O)N3CCCc4ccccc43)n(N)c(=O)c12)[*:1]
O=C(C[C@@H](O)c1ccccc1)NCc1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] O=C(C[C@@H](O)c1ccccc1)NCc1ccc(cc1)[*:1]
O=C(C[C@@H](O)c1ccccc1)NCc1ccc(-c2cccnc2)cc1 O[C@@H](c1ccccc1)[*:1] O=C(C[*:1])NCc1ccc(cc1)-c1cccnc1
O=C(C[C@@H](O)c1ccccc1)NCc1ccc(-c2cccnc2)cc1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])NCc1ccc(cc1)-c1cccnc1
CCCc1cc(NC(=O)c2ccc3c(c2)NC(=O)CN3CC)n[nH]1 CCCc1cc(n[nH]1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[*:1]
CCCc1cc(NC(=O)c2ccc3c(c2)NC(=O)CN3CC)n[nH]1 CCC[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)Nc1cc([nH]n1)[*:1]
c1ccc(Cn2ccc(-c3cccc(-c4cncc5ccccc45)c3)n2)nc1 c1ccc(nc1)[*:1] c1cc(cc(c1)-c1cncc2ccccc12)-c1ccn(C[*:1])n1
c1ccc(Cn2ccc(-c3cccc(-c4cncc5ccccc45)c3)n2)nc1 c1ccc(C[*:1])nc1 c1cc(cc(c1)-c1cncc2ccccc12)-c1ccn(n1)[*:1]
Cc1ccc(OC2C[C@H](C)C[C@@H](C)C2)c(C[NH2+]C(C)C)n1 CC(C)[*:1] Cc1ccc(OC2C[C@H](C)C[C@@H](C)C2)c(C[NH2+][*:1])n1
CCOC(=O)[C@]1(N)CC[C@@H](Sc2nnc(N(C)C)s2)C1 CN(C)[*:1] CCOC(=O)[C@]1(N)CC[C@H](C1)Sc1nnc(s1)[*:1]
CCOC(=O)[C@]1(N)CC[C@@H](Sc2nnc(N(C)C)s2)C1 CCOC(=O)[*:1] CN(C)c1nnc(S[C@@H]2CC[C@@](N)(C2)[*:1])s1
CC(C)(CNC(=O)c1ccnc(OC2CCC2)c1)N1CCS(=O)CC1 C1CC(C1)O[*:1] CC(C)(CNC(=O)c1ccnc(c1)[*:1])N1CCS(=O)CC1
CC(C)(CNC(=O)c1ccnc(OC2CCC2)c1)N1CCS(=O)CC1 C1CC(C1)[*:1] CC(C)(CNC(=O)c1ccnc(c1)O[*:1])N1CCS(=O)CC1
N#CCN(C(=O)c1cc(Br)ccc1Cl)C1CC1 N#CC[*:1] O=C(c1cc(Br)ccc1Cl)N(C1CC1)[*:1]
N#CCN(C(=O)c1cc(Br)ccc1Cl)C1CC1 C1CC1[*:1] N#CCN(C(=O)c1cc(Br)ccc1Cl)[*:1]
O=C(/C=C/c1ccc(Cl)cc1)OCC1CC1 C1CC1[*:1] O=C(/C=C/c1ccc(Cl)cc1)OC[*:1]
O=C(/C=C/c1ccc(Cl)cc1)OCC1CC1 C1CC1C[*:1] O=C(/C=C/c1ccc(Cl)cc1)O[*:1]
Clc1cccc(N2CCCC2)c1C[NH2+][C@H]1CCc2[nH]ncc2C1 C1CCN(C1)[*:1] Clc1cccc(c1C[NH2+][C@H]1CCc2[nH]ncc2C1)[*:1]
Cc1cc(C(=O)NCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C)o1 Cn1ccnc1[*:1] Cc1cc(C(=O)NCC(=O)Nc2ccc(cc2)C(=O)[*:1])c(C)o1
Cc1cc(C(=O)NCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cn1ccnc1C(=O)c1ccc(cc1)NC(=O)CNC(=O)[*:1]
Cc1cc(C(=O)NCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C)o1 Cn1ccnc1C(=O)[*:1] Cc1cc(C(=O)NCC(=O)Nc2ccc(cc2)[*:1])c(C)o1
CCc1nc(CC(=O)O[C@@H](C)[C@H]2CCCO2)cs1 C1CO[C@H](C1)[*:1] CCc1nc(cs1)CC(=O)O[C@@H](C)[*:1]
CCC(=O)N1CCC[C@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)[O-])C1 Cc1ccc(cc1)[*:1] CCC(=O)N1CCC[C@@](C[C@H]2CC(=NO2)[*:1])(C1)C(=O)[O-]
CCC(=O)N1CCC[C@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)[O-])C1 O=C([O-])[*:1] CCC(=O)N1CCC[C@](C[C@H]2CC(=NO2)c2ccc(C)cc2)(C1)[*:1]
S=c1n(CN2CCOCC2)cnn1CN1CCOCC1 C1CN(CCO1)[*:1] S=c1n(cnn1CN1CCOCC1)C[*:1]
S=c1n(CN2CCOCC2)cnn1CN1CCOCC1 C1CN(CCO1)[*:1] S=c1n(cnn1C[*:1])CN1CCOCC1
C[C@H]1CCCCC[C@@H]1[NH2+]Cc1cc(C(=O)[O-])cs1 O=C([O-])[*:1] C[C@H]1CCCCC[C@@H]1[NH2+]Cc1cc(cs1)[*:1]
O=C(COc1ccccc1F)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 Fc1ccccc1O[*:1] O=C(C[*:1])Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
O=C(COc1ccccc1F)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 Fc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 CC(C)C(=O)N[*:1] C[C@H](CNC(=O)Nc1ccc(cc1)[*:1])C[NH+]1CCCCC1
CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 CC(C)[*:1] C[C@H](CNC(=O)Nc1ccc(cc1)NC(=O)[*:1])C[NH+]1CCCCC1
Cc1ccc(CC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@@H]1CCN(C(=O)C[*:1])c2ccccc21
Cc1ccc(CC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)cc1 NC(=O)[*:1] Cc1ccc(cc1)CC(=O)N1CC[C@@H](c2ccccc21)[*:1]
COCC(=O)N(Cc1cccs1)Cc1cc2cc(C)ccc2n2nnnc12 c1csc(c1)[*:1] COCC(=O)N(Cc1cc2cc(C)ccc2n2nnnc12)C[*:1]
COCC(=O)N(Cc1cccs1)Cc1cc2cc(C)ccc2n2nnnc12 COC[*:1] Cc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)[*:1])c1nnnn12
COCC(=O)N(Cc1cccs1)Cc1cc2cc(C)ccc2n2nnnc12 c1csc(c1)C[*:1] COCC(=O)N(Cc1cc2cc(C)ccc2n2nnnc12)[*:1]
Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 O=C1CNC(=O)N1C[*:1] Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(c1)[*:1]
Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 Cc1c(Cl)cccc1[*:1] O=C1CNC(=O)N1Cc1cccc(c1)NS(=O)(=O)[*:1]
Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 O=C1CNC(=O)N1[*:1] Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(c1)C[*:1]
CCCc1cc(NC(=O)CCC(F)(F)F)n(C)n1 FC(F)(F)C[*:1] CCCc1cc(NC(=O)C[*:1])n(C)n1
CCCc1cc(NC(=O)CCC(F)(F)F)n(C)n1 FC(F)(F)CC[*:1] CCCc1cc(NC(=O)[*:1])n(C)n1
CCCc1cc(NC(=O)CCC(F)(F)F)n(C)n1 FC(F)(F)[*:1] CCCc1cc(NC(=O)CC[*:1])n(C)n1
CCCc1cc(NC(=O)CCC(F)(F)F)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)CCC(F)(F)F)[*:1]
COc1ccc(CN(C)C(=O)COc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CN(C)C(=O)CO[*:1]
COc1cc(OC)c(/C=C(/C)C[NH2+]C2CC2)c(OC)c1 C1CC1[*:1] COc1cc(OC)c(/C=C(/C)C[NH2+][*:1])c(c1)OC
CCc1nn(C)cc1NC(=O)NC[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)NC[C@@H]1CCN(C1)[*:1]
CCc1nn(C)cc1NC(=O)NC[C@@H]1CCN(c2ccccc2)C1 CCc1nn(C)cc1[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)N[*:1]
COc1ccc2[nH]c(C(=O)N(Cc3ccccn3)Cc3ccccn3)cc2c1 c1ccc(C[*:1])nc1 COc1ccc2[nH]c(cc2c1)C(=O)N(Cc1ccccn1)[*:1]
COc1ccc2[nH]c(C(=O)N(Cc3ccccn3)Cc3ccccn3)cc2c1 c1ccc(nc1)[*:1] COc1ccc2[nH]c(cc2c1)C(=O)N(Cc1ccccn1)C[*:1]
CN[C@@]1(C(=O)OC)CSCCC1(C)C COC(=O)[*:1] CN[C@]1(CSCCC1(C)C)[*:1]
Cc1cc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n[nH]1 Cc1cc(n[nH]1)[*:1] O=C(C[C@H]1CCCO1)N1CCC[C@H](C1)[*:1]
Cc1cc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n[nH]1 C1CO[C@H](C1)C[*:1] Cc1cc(n[nH]1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n[nH]1 C1CO[C@H](C1)[*:1] Cc1cc(n[nH]1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CCCOc1cccc(C(=O)Oc2ccc(-n3cnnn3)cc2)c1 c1nnnn1[*:1] CCCOc1cccc(c1)C(=O)Oc1ccc(cc1)[*:1]
CCCOc1cccc(C(=O)Oc2ccc(-n3cnnn3)cc2)c1 CCCO[*:1] O=C(Oc1ccc(cc1)-n1cnnn1)c1cccc(c1)[*:1]
CCCOc1cccc(C(=O)Oc2ccc(-n3cnnn3)cc2)c1 CCC[*:1] O=C(Oc1ccc(cc1)-n1cnnn1)c1cccc(c1)O[*:1]
COc1ccc([C@H](NC(=O)c2cc(C)no2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(on1)C(=O)N[C@H](C1CCOCC1)[*:1]
COc1ccc([C@H](NC(=O)c2cc(C)no2)C2CCOCC2)cc1 Cc1cc(on1)[*:1] COc1ccc(cc1)[C@H](NC(=O)[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)c2cc(C)no2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1cc(C)no1)[*:1]
CCCOc1cccc([C@@H](O)[C@]2(C#N)CCC[C@H](C)C2)c1 CCCO[*:1] C[C@H]1CCC[C@](C#N)(C1)[C@H](O)c1cccc(c1)[*:1]
CCCOc1cccc([C@@H](O)[C@]2(C#N)CCC[C@H](C)C2)c1 CCC[*:1] C[C@H]1CCC[C@](C#N)(C1)[C@H](O)c1cccc(c1)O[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OC Cc1cccc(n1)[*:1] CCOc1ccc(cc1OC)[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OC CCOc1ccc(cc1OC)[*:1] Cc1ccc2oc3C(=O)N(c4cccc(C)n4)[C@@H](c3c(=O)c2c1)[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1c1cccc(C)n1
C[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)N2CCC(c3ccccc3)=N2)CC1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)CC(=O)N1CCC(=N1)[*:1]
CC[C@](C)(NC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)Nc1ccc(Cl)cc1)[*:1]
CCC[NH2+]Cc1cncc(N2CCC(C)(CC)CC2)n1 CCC[*:1] CCC1(C)CCN(CC1)c1cncc(C[NH2+][*:1])n1
O=C(Nc1cc(Cl)ccc1Cl)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 Clc1ccc(Cl)c(c1)[*:1] O=C(N[*:1])c1nc2nc(cc(n2n1)C(F)(F)F)-c1cccs1
O=C(Nc1cc(Cl)ccc1Cl)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 c1csc(c1)[*:1] O=C(Nc1cc(Cl)ccc1Cl)c1nc2nc(cc(n2n1)C(F)(F)F)[*:1]
O=C(Nc1cc(Cl)ccc1Cl)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 FC(F)(F)[*:1] O=C(Nc1cc(Cl)ccc1Cl)c1nc2nc(cc(n2n1)[*:1])-c1cccs1
O=S(=O)(N[C@H](Cc1ccccc1)C1CC1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(N[C@H](Cc1ccccc1)C1CC1)[*:1]
O=S(=O)(N[C@H](Cc1ccccc1)C1CC1)c1ccccc1 C1CC1[*:1] O=S(=O)(N[C@H](Cc1ccccc1)[*:1])c1ccccc1
O=S(=O)(N[C@H](Cc1ccccc1)C1CC1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(N[C@H](C[*:1])C1CC1)c1ccccc1
O=S(=O)(N[C@H](Cc1ccccc1)C1CC1)c1ccccc1 c1ccc(cc1)C[*:1] O=S(=O)(N[C@H](C1CC1)[*:1])c1ccccc1
O=C([C@@H]1CCCS1)N1CCC2(CC1)OCCO2 C1CS[C@@H](C1)[*:1] O=C(N1CCC2(CC1)OCCO2)[*:1]
C[NH2+][C@H](c1cc(Cl)ccc1OC)[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] C[NH2+][C@H](c1cc(Cl)ccc1OC)[C@H](C)[*:1]
O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)c1ccccc1F Fc1ccccc1[*:1] O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)[*:1]
CCOc1ncnc(N2CCCC[C@@H]2CCO)c1N OCC[*:1] CCOc1ncnc(c1N)N1CCCC[C@H]1[*:1]
CCOc1ncnc(N2CCCC[C@@H]2CCO)c1N CCO[*:1] Nc1c(ncnc1[*:1])N1CCCC[C@@H]1CCO
O=C(C[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1)NC1CC1 C1CCC(CC1)[*:1] O=C(C[NH2+][C@@H]1CCCC[C@@H]1[*:1])NC1CC1
O=C(C[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1)NC1CC1 O=C(NC1CC1)[*:1] C1CCC(CC1)[C@@H]1CCCC[C@H]1[NH2+]C[*:1]
O=C(C[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1)NC1CC1 C1CC1[*:1] O=C(C[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1)N[*:1]
C[C@@H]1CN(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)[C@H](C)CO1 Fc1ccc(cc1)C[*:1] C[C@@H]1CN([C@H](C)CO1)S(=O)(=O)N1CCC(CC1)O[*:1]
C[C@@H]1CN(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)[C@H](C)CO1 Fc1ccc(cc1)[*:1] C[C@@H]1CN([C@H](C)CO1)S(=O)(=O)N1CCC(CC1)OC[*:1]
COc1ccc([C@H]2OCCC[C@H]2C[NH2+]C(C)(C)C)cc1Cl CC(C)(C)[*:1] COc1ccc(cc1Cl)[C@H]1OCCC[C@H]1C[NH2+][*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(F)cc1)CC2)c1ccccn1 O=C(N[*:1])c1ccccn1 O=S(=O)(c1ccc(F)cc1)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(F)cc1)CC2)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)c1ccc(F)cc1)[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(F)cc1)CC2)c1ccccn1 Fc1ccc(cc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1])c1ccccn1
O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(F)cc1F Clc1ccc(cc1)[*:1] O=C(COC(=O)CO[*:1])Nc1ccc(F)cc1F
O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(F)cc1F Clc1ccc(cc1)O[*:1] O=C(COC(=O)C[*:1])Nc1ccc(F)cc1F
O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(COC(=O)COc1ccc(Cl)cc1)N[*:1]
O=C(COc1ccccc1Cl)NNC(=O)CC1CCCC1 C1CCC(C1)C[*:1] O=C(COc1ccccc1Cl)NNC(=O)[*:1]
O=C(COc1ccccc1Cl)NNC(=O)CC1CCCC1 C1CCC(C1)[*:1] O=C(COc1ccccc1Cl)NNC(=O)C[*:1]
O=C(COc1ccccc1Cl)NNC(=O)CC1CCCC1 Clc1ccccc1[*:1] O=C(CO[*:1])NNC(=O)CC1CCCC1
Cc1ccc2ncc(NC(=O)c3ccc(Cl)cc3)c(=O)n2c1 Clc1ccc(cc1)[*:1] Cc1ccc2ncc(NC(=O)[*:1])c(=O)n2c1
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 C1CC1[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C)C(=O)N[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 O=C(NC1CC1)[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C)[*:1]
CC(C)(C)NC(=O)c1cccc(C(=O)Nc2cccc(O)c2)c1 Oc1cccc(c1)[*:1] CC(C)(C)NC(=O)c1cccc(c1)C(=O)N[*:1]
CC(C)(C)NC(=O)c1cccc(C(=O)Nc2cccc(O)c2)c1 CC(C)(C)NC(=O)[*:1] O=C(Nc1cccc(O)c1)c1cccc(c1)[*:1]
CC(C)(C)NC(=O)c1cccc(C(=O)Nc2cccc(O)c2)c1 CC(C)(C)[*:1] O=C(Nc1cccc(O)c1)c1cccc(c1)C(=O)N[*:1]
COCCNS(=O)(=O)c1csc2ccc(Cl)cc12 COC[*:1] O=S(=O)(NC[*:1])c1csc2ccc(Cl)cc12
COCCNS(=O)(=O)c1csc2ccc(Cl)cc12 COCC[*:1] O=S(=O)(N[*:1])c1csc2ccc(Cl)cc12
COc1ccc(CN(C)C(=O)CCC(C)(C)C)cc1 CC(C)(C)C[*:1] COc1ccc(cc1)CN(C)C(=O)C[*:1]
COc1ccc(CN(C)C(=O)CCC(C)(C)C)cc1 CC(C)(C)CC[*:1] COc1ccc(cc1)CN(C)C(=O)[*:1]
COc1ccc(CN(C)C(=O)CCC(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)CN(C)C(=O)CC[*:1]
N#Cc1c(/N=C/c2ccc(O)cc2O)oc(-c2ccco2)c1-c1ccco1 Oc1ccc(c(O)c1)[*:1] N#Cc1c(N=C[*:1])oc(-c2ccco2)c1-c1ccco1
N#Cc1c(/N=C/c2ccc(O)cc2O)oc(-c2ccco2)c1-c1ccco1 c1coc(c1)[*:1] N#Cc1c(/N=C/c2ccc(O)cc2O)oc(-c2ccco2)c1[*:1]
N#Cc1c(/N=C/c2ccc(O)cc2O)oc(-c2ccco2)c1-c1ccco1 c1coc(c1)[*:1] N#Cc1c(/N=C/c2ccc(O)cc2O)oc(c1-c1ccco1)[*:1]
CCS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)OC CCS(=O)(=O)N[*:1] COC(=O)[C@H](C)[C@H](c1ccccc1)[*:1]
CCS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)OC COC(=O)[C@H](C)[*:1] CCS(=O)(=O)N[C@@H](c1ccccc1)[*:1]
CCS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)OC c1ccc(cc1)[*:1] CCS(=O)(=O)N[C@@H]([C@@H](C)C(=O)OC)[*:1]
CCS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)OC COC(=O)[*:1] CCS(=O)(=O)N[C@@H](c1ccccc1)[C@@H](C)[*:1]
Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)[O-])ccc2Br)cc1 O=C([O-])c1ccccc1[*:1] Cc1ccc(cc1)NS(=O)(=O)c1cc(ccc1Br)C(=O)N[*:1]
Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)[O-])ccc2Br)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)[O-])c1ccc(Br)c(c1)S(=O)(=O)N[*:1]
Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)[O-])ccc2Br)cc1 O=C([O-])[*:1] Cc1ccc(cc1)NS(=O)(=O)c1cc(ccc1Br)C(=O)Nc1ccccc1[*:1]
COC[C@@H](C)CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1C1CC1 COC[C@@H](C)C[*:1] O=C([O-])[C@@H]1CS[C@H](C2CC2)N1C(=O)[*:1]
COC[C@@H](C)CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1C1CC1 C1CC1[*:1] COC[C@@H](C)CC(=O)N1[C@@H](CS[C@H]1[*:1])C(=O)[O-]
COC[C@@H](C)CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1C1CC1 O=C([O-])[*:1] COC[C@@H](C)CC(=O)N1[C@H](SC[C@@H]1[*:1])C1CC1
COC[C@@H](C)CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1C1CC1 COC[C@@H](C)[*:1] O=C([O-])[C@@H]1CS[C@H](C2CC2)N1C(=O)C[*:1]
COC[C@@H](C)CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1C1CC1 COC[*:1] C[C@@H](CC(=O)N1[C@@H](CS[C@@H]1C1CC1)C(=O)[O-])[*:1]
O=C(N[C@@]1(C(F)(F)F)C(=O)N=C2C1=C([O-])NC(=O)N2Cc1ccccc1Cl)c1cccnc1 O=C(N[*:1])c1cccnc1 O=C1NC([O-])=C2C(=NC(=O)[C@@]2(C(F)(F)F)[*:1])N1Cc1ccccc1Cl
O=C(N[C@@]1(C(F)(F)F)C(=O)N=C2C1=C([O-])NC(=O)N2Cc1ccccc1Cl)c1cccnc1 Clc1ccccc1[*:1] O=C(N[C@]1(C(=O)N=C2C1=C([O-])NC(=O)N2C[*:1])C(F)(F)F)c1cccnc1
O=C(N[C@@]1(C(F)(F)F)C(=O)N=C2C1=C([O-])NC(=O)N2Cc1ccccc1Cl)c1cccnc1 Clc1ccccc1C[*:1] O=C(N[C@]1(C(=O)N=C2C1=C([O-])NC(=O)N2[*:1])C(F)(F)F)c1cccnc1
O=C(N[C@@]1(C(F)(F)F)C(=O)N=C2C1=C([O-])NC(=O)N2Cc1ccccc1Cl)c1cccnc1 c1cncc(c1)[*:1] O=C1NC([O-])=C2C(=NC(=O)[C@@]2(NC(=O)[*:1])C(F)(F)F)N1Cc1ccccc1Cl
O=C(N[C@@]1(C(F)(F)F)C(=O)N=C2C1=C([O-])NC(=O)N2Cc1ccccc1Cl)c1cccnc1 FC(F)(F)[*:1] O=C(N[C@]1(C(=O)N=C2C1=C([O-])NC(=O)N2Cc1ccccc1Cl)[*:1])c1cccnc1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 Cc1n[nH]c(C)c1[*:1] C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@H](C)C[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)[C@H](C)[C@@H](C)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 Cc1n[nH]c(C)c1C[*:1] C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@H](C)[*:1]
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)OC)c1 COc1ccccc1[*:1] CON(C)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)OC)c1 CON(C)C(=O)[*:1] COc1ccccc1NS(=O)(=O)c1cccc(c1)[*:1]
Cc1ccc2cc(C)c3nnc(SCC(=O)N(C(C)C)C(C)C)n3c2c1C CC(C)N(C(=O)[*:1])C(C)C Cc1ccc2cc(C)c3nnc(SC[*:1])n3c2c1C
Cc1ccc2cc(C)c3nnc(SCC(=O)N(C(C)C)C(C)C)n3c2c1C CC(C)[*:1] Cc1ccc2cc(C)c3nnc(SCC(=O)N(C(C)C)[*:1])n3c2c1C
CC(C)[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(CN1CCS(=O)(=O)CC1)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)c1nc2ccccc2[nH]1 O=S1(=O)CCN(CC1)[*:1] CC(C)[C@@H](NC(=O)C[*:1])c1nc2ccccc2[nH]1
COc1ccccc1N1CCN(C(=O)Cc2c(C)nc(S[C@@H](C)c3ccccc3)[nH]c2=O)CC1 c1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)Cc1c(C)nc([nH]c1=O)S[C@@H](C)[*:1]
COc1ccccc1N1CCN(C(=O)Cc2c(C)nc(S[C@@H](C)c3ccccc3)[nH]c2=O)CC1 COc1ccccc1[*:1] Cc1nc([nH]c(=O)c1CC(=O)N1CCN(CC1)[*:1])S[C@@H](C)c1ccccc1
Cc1c(OC(=O)c2cccnc2)ccc2c1O/C(=C\c1ccncc1)C2=O c1cncc(c1)[*:1] Cc1c(ccc2C(=O)/C(=C/c3ccncc3)Oc21)OC(=O)[*:1]
Cc1c(OC(=O)c2cccnc2)ccc2c1O/C(=C\c1ccncc1)C2=O O=C(O[*:1])c1cccnc1 Cc1c(ccc2C(=O)/C(=C/c3ccncc3)Oc21)[*:1]
Cc1c(OC(=O)c2cccnc2)ccc2c1O/C(=C\c1ccncc1)C2=O c1cc(ccn1)[*:1] Cc1c(ccc2C(=O)C(=C[*:1])Oc21)OC(=O)c1cccnc1
C[C@@H](C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N[C@@H](c1ccc2OCCOc2c1)C1CC1)[*:1]
C[C@@H](C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)n1cccn1 C1CC1[*:1] C[C@@H](C(=O)N[C@@H](c1ccc2OCCOc2c1)[*:1])n1cccn1
C[C@@H](C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)n1cccn1 C[C@@H](n1cccn1)[*:1] O=C(N[C@@H](c1ccc2OCCOc2c1)C1CC1)[*:1]
COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@]1(C)NC(=O)N(C1=O)[*:1]
COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@]1(C)NC(=O)N(C[*:1])C1=O
COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1occc1C(=O)Nc1ccnc2ccc(Br)cc12 Cc1occc1[*:1] O=C(Nc1ccnc2ccc(Br)cc12)[*:1]
O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccc(cc1)[*:1]
O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 c1coc(c1)[*:1] O=C(NC[C@@H](N1CCc2ccccc2C1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 c1ccc2CN(CCc2c1)[*:1] O=C(NC[C@@H](c1ccco1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
CCc1nc(CC(=O)N2CCC(n3cc[nH+]c3)CC2)cs1 CCc1nc(cs1)[*:1] O=C(C[*:1])N1CCC(CC1)n1cc[nH+]c1
Cc1cnn(-c2ccc(C(=O)OC3(C4CC4)CC3)cc2)c1 Cc1cnn(c1)[*:1] O=C(OC1(CC1)C1CC1)c1ccc(cc1)[*:1]
Cc1cnn(-c2ccc(C(=O)OC3(C4CC4)CC3)cc2)c1 C1CC1[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)OC1(CC1)[*:1]
Cc1cnn(-c2ccc(C(=O)OC3(C4CC4)CC3)cc2)c1 C1CC1C1(CC1)[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)O[*:1]
Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ncc(Cl)cc1Cl CC(C)[*:1] Cc1nn(c(C)c1S(=O)(=O)[N-]c1ncc(Cl)cc1Cl)[*:1]
COc1cc2nc(C)n(CCNC(=O)c3cccc4[nH]ccc34)c(=O)c2cc1OC c1cc(c2cc[nH]c2c1)[*:1] COc1cc2nc(C)n(CCNC(=O)[*:1])c(=O)c2cc1OC
CC(C)N(CCS(C)(=O)=O)C(=O)[C@@H]1COc2ccc(F)cc2C1 CS(=O)(=O)[*:1] CC(C)N(CC[*:1])C(=O)[C@@H]1COc2ccc(F)cc2C1
CC(C)N(CCS(C)(=O)=O)C(=O)[C@@H]1COc2ccc(F)cc2C1 CC(C)[*:1] CS(=O)(=O)CCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
CC(C)N(CCS(C)(=O)=O)C(=O)[C@@H]1COc2ccc(F)cc2C1 CS(=O)(=O)CC[*:1] CC(C)N(C(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
CC(C)N(CCS(C)(=O)=O)C(=O)[C@@H]1COc2ccc(F)cc2C1 CS(=O)(=O)C[*:1] CC(C)N(C[*:1])C(=O)[C@@H]1COc2ccc(F)cc2C1
CCc1ccc(OCC(=O)NCc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CCc1ccc(cc1)OCC(=O)NC[*:1]
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] C[C@@]1(Cc2ccc3OCOc3c2)NC(=O)N(C[C@H](O)[*:1])C1=O
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O c1cc2OCOc2cc1[*:1] C[C@@]1(C[*:1])NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O O[C@H](c1ccc(Cl)cc1)[*:1] C[C@@]1(Cc2ccc3OCOc3c2)NC(=O)N(C[*:1])C1=O
COc1cccc(Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-c1cc2c(=O)n(ccn2n1)C[*:1]
COc1cccc(Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)Cn1ccn2nc(cc2c1=O)[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NCCc1nc2ccccc2[nH]1 CC(C)C[*:1] Cc1cc(ccc1NC(=O)NCCc1nc2ccccc2[nH]1)C(=O)N[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NCCc1nc2ccccc2[nH]1 CC(C)[*:1] Cc1cc(ccc1NC(=O)NCCc1nc2ccccc2[nH]1)C(=O)NC[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NCCc1nc2ccccc2[nH]1 CC(C)CNC(=O)[*:1] Cc1cc(ccc1NC(=O)NCCc1nc2ccccc2[nH]1)[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)NCCc1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] Cc1cc(ccc1NC(=O)NCC[*:1])C(=O)NCC(C)C
O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)N1CCC(CC1)[*:1]
O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)N1CCC(CC1)C[*:1]
C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccco2)c1 CNC(=O)C[*:1] C#Cc1cccc(c1)N(C(=O)c1ccco1)[*:1]
C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccco2)c1 c1coc(c1)[*:1] C#Cc1cccc(c1)N(CC(=O)NC)C(=O)[*:1]
C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccco2)c1 CNC(=O)[*:1] C#Cc1cccc(c1)N(C[*:1])C(=O)c1ccco1
Cc1cc(C)n(-c2ccc(C(=O)N(CCC#N)CCC#N)cc2)n1 N#CC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N(CCC#N)C[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N(CCC#N)CCC#N)cc2)n1 Cc1cc(C)n(n1)[*:1] N#CCCN(CCC#N)C(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N(CCC#N)CCC#N)cc2)n1 N#CCC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N(CCC#N)[*:1]
Cc1noc(C2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)n1 Cc1noc(n1)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)N1CCC(CC1)[*:1]
Cc1noc(C2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)n1 C1CCN(C1)[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)NCc1cc[nH+]c(c1)[*:1]
Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1 Cc1noc(C)c1[*:1] C[C@@H](NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1)[*:1]
NC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCc1cccs1 c1csc(c1)[*:1] NC(=O)[C@@H]1CCC[C@H]1NC(=O)NCC[*:1]
NC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCc1cccs1 NC(=O)[*:1] O=C(NCCc1cccs1)N[C@@H]1CCC[C@H]1[*:1]
NC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCc1cccs1 c1csc(c1)C[*:1] NC(=O)[C@@H]1CCC[C@H]1NC(=O)NC[*:1]
CC(C)N(Cc1cccc(-c2cnn(C)c2)c1)CC(F)F Cn1cc(cn1)[*:1] CC(C)N(Cc1cccc(c1)[*:1])CC(F)F
CC(C)N(Cc1cccc(-c2cnn(C)c2)c1)CC(F)F FC(F)[*:1] CC(C)N(Cc1cccc(c1)-c1cnn(C)c1)C[*:1]
CC(C)N(Cc1cccc(-c2cnn(C)c2)c1)CC(F)F CC(C)[*:1] Cn1cc(cn1)-c1cccc(c1)CN(CC(F)F)[*:1]
CC(C)N(Cc1cccc(-c2cnn(C)c2)c1)CC(F)F FC(F)C[*:1] CC(C)N(Cc1cccc(c1)-c1cnn(C)c1)[*:1]
Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N[C@H](C)CCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(c1C(=O)N[C@H](C)CC[*:1])-n1cccc1
Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N[C@H](C)CCc1ccccc1 c1ccn(c1)[*:1] Cc1nn(-c2ccccc2)c(c1C(=O)N[C@H](C)CCc1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N[C@H](C)CCc1ccccc1 C[C@H](CCc1ccccc1)[*:1] Cc1nn(-c2ccccc2)c(c1C(=O)N[*:1])-n1cccc1
Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N[C@H](C)CCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(c1C(=O)N[C@H](C)CCc1ccccc1)-n1cccc1)[*:1]
Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N[C@H](C)CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1nn(-c2ccccc2)c(c1C(=O)N[C@H](C)[*:1])-n1cccc1
Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N[C@H](C)CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(-c2ccccc2)c(c1C(=O)N[C@H](C)C[*:1])-n1cccc1
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CCO[C@@H](C#N)C2)c1 CC(C)(C)[*:1] N#C[C@H]1CN(CCO1)C(=O)c1cc(ccc1F)NC(=O)[*:1]
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CCO[C@@H](C#N)C2)c1 CC(C)(C)C(=O)N[*:1] N#C[C@H]1CN(CCO1)C(=O)c1cc(ccc1F)[*:1]
C[C@@H](CNC(=O)CC1([NH3+])CCC1)C[NH+]1CCCC1 [NH3+]C1(CCC1)C[*:1] C[C@@H](CNC(=O)[*:1])C[NH+]1CCCC1
C[C@@H](CNC(=O)CC1([NH3+])CCC1)C[NH+]1CCCC1 [NH3+]C1(CCC1)[*:1] C[C@@H](CNC(=O)C[*:1])C[NH+]1CCCC1
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccn2)cc1F COc1ccc(cc1F)[*:1] Cc1nc(sc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccccn1
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccn2)cc1F Cc1nc(sc1C)[*:1] COc1ccc(cc1F)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccccn1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccn2)cc1F c1ccc(nc1)[*:1] COc1ccc(cc1F)C(=O)C1=C([O-])C(=O)N(c2nc(C)c(C)s2)[C@H]1[*:1]
CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)cc1 Clc1ccc(N[*:1])c(Cl)c1 CCOc1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)cc1 CCOc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])c2c(nc(Nc3ccc(Cl)cc3Cl)[nH]c2=O)N1
CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)cc1 CCO[*:1] O=C1C[C@H](C(=O)Nc2ccc(cc2)[*:1])c2c(nc(Nc3ccc(Cl)cc3Cl)[nH]c2=O)N1
CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)cc1 Clc1ccc(c(Cl)c1)[*:1] CCOc1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2nc(N[*:1])[nH]c(=O)c21
CC(C)CC1=NN(C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CC(C)CC1C[C@@](O)(N(N=1)C(=O)c1ccc(F)cc1)[*:1]
CC(C)CC1=NN(C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)C1 CC(C)[*:1] O=C(c1ccc(F)cc1)N1N=C(C[C@@]1(O)C(F)(F)F)C[*:1]
CC(C)CC1=NN(C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)C1 Fc1ccc(cc1)[*:1] CC(C)CC1C[C@](O)(N(N=1)C(=O)[*:1])C(F)(F)F
CC(C)CC1=NN(C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)C1 CC(C)C[*:1] O=C(c1ccc(F)cc1)N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
Cc1cc(OC[C@@H]2CN(C(=O)c3ccc4snnc4c3)CCO2)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C(c1ccc2snnc2c1)N1CCO[C@H](CO[*:1])C1
Cc1cc(OC[C@@H]2CN(C(=O)c3ccc4snnc4c3)CCO2)ccc1Cl Cc1cc(ccc1Cl)O[*:1] O=C(c1ccc2snnc2c1)N1CCO[C@@H](C1)C[*:1]
Cc1cc(OC[C@@H]2CN(C(=O)c3ccc4snnc4c3)CCO2)ccc1Cl c1cc2snnc2cc1[*:1] Cc1cc(ccc1Cl)OC[C@@H]1CN(CCO1)C(=O)[*:1]
Cc1ccc(CNC(=O)[C@H](C)C2CCN(C(=O)[C@H]3C=c4cc(Cl)ccc4=[NH+]3)CC2)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](C(=O)N[*:1])C1CCN(CC1)C(=O)[C@H]1C=c2cc(Cl)ccc2=[NH+]1
Cc1ccc(CNC(=O)[C@H](C)C2CCN(C(=O)[C@H]3C=c4cc(Cl)ccc4=[NH+]3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])C1CCN(CC1)C(=O)[C@H]1C=c2cc(Cl)ccc2=[NH+]1
CCN(CC)c1c(S(=O)(=O)c2ccccc2)cnc2cc(OC)c(OC)cc12 O=S(=O)(c1ccccc1)[*:1] CCN(CC)c1c(cnc2cc(OC)c(cc12)OC)[*:1]
CCN(CC)c1c(S(=O)(=O)c2ccccc2)cnc2cc(OC)c(OC)cc12 c1ccc(cc1)[*:1] CCN(CC)c1c(cnc2cc(OC)c(cc12)OC)S(=O)(=O)[*:1]
CCN(CC)c1c(S(=O)(=O)c2ccccc2)cnc2cc(OC)c(OC)cc12 CCN(CC)[*:1] COc1cc2ncc(c(c2cc1OC)[*:1])S(=O)(=O)c1ccccc1
CN(c1ccc2sc(C(=O)N3CCOCC3)cc2c1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(c1cc2cc(ccc2s1)[*:1])N1CCOCC1
COC(=O)C[C@H](c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)c1c(O)n[nH]c1C Cc1[nH]nc(O)c1[*:1] COC(=O)C[C@H](c1ccc(o1)-c1cc(ccc1Cl)C(=O)[O-])[*:1]
COC(=O)C[C@H](c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)c1c(O)n[nH]c1C O=C([O-])[*:1] COC(=O)C[C@H](c1ccc(o1)-c1cc(ccc1Cl)[*:1])c1c(O)n[nH]c1C
COC(=O)C[C@H](c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)c1c(O)n[nH]c1C COC(=O)C[*:1] Cc1[nH]nc(O)c1[C@@H](c1ccc(o1)-c1cc(ccc1Cl)C(=O)[O-])[*:1]
COC(=O)C[C@H](c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)c1c(O)n[nH]c1C COC(=O)[*:1] Cc1[nH]nc(O)c1[C@H](C[*:1])c1ccc(o1)-c1cc(ccc1Cl)C(=O)[O-]
COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)C(=O)Nc1cccc(c1)[*:1]
CCn1cnnc1CNC(=O)NC[C@@H]1CCOC1 C1C[C@H](CO1)C[*:1] CCn1cnnc1CNC(=O)N[*:1]
CCn1cnnc1CNC(=O)NC[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CCn1cnnc1CNC(=O)NC[*:1]
Cc1nnc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)s1 Cc1nnc(s1)[*:1] O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1S[*:1]
Cc1nnc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)s1 c1ccc(cc1)[*:1] Cc1nnc(Sc2c(c3cc(Cl)ccc3[nH]c2=O)[*:1])s1
Cc1nnc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)s1 Cc1nnc(S[*:1])s1 O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1[*:1]
COc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H](C)n1nc(c2CCCCc2c1=O)[*:1]
COc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nn(c(=O)c2CCCCc12)[C@H](C)C(=O)N[*:1]
CC(C)c1n[nH]c2c1[C@@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 CC(C)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@H]1c1ccc(F)c(Br)c1)[*:1]
Cc1cccc(CS[C@@H]2CC[C@]([NH3+])(C(=O)[O-])C2)c1 O=C([O-])[*:1] Cc1cccc(c1)CS[C@@H]1CC[C@]([NH3+])(C1)[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccccc1[*:1]
COc1ccc(C[NH2+]C(C)(C)C)cc1OCc1nccs1 CC(C)(C)[*:1] COc1ccc(cc1OCc1nccs1)C[NH2+][*:1]
COc1ccc(C[NH2+]C(C)(C)C)cc1OCc1nccs1 c1csc(CO[*:1])n1 COc1ccc(cc1[*:1])C[NH2+]C(C)(C)C
COc1ccc(C[NH2+]C(C)(C)C)cc1OCc1nccs1 c1csc(C[*:1])n1 COc1ccc(cc1O[*:1])C[NH2+]C(C)(C)C
COc1ccc(C[NH2+]C(C)(C)C)cc1OCc1nccs1 c1csc(n1)[*:1] COc1ccc(cc1OC[*:1])C[NH2+]C(C)(C)C
O=C1CN(C(=O)COC(=O)c2ccncc2)c2ccccc2N1 c1cc(ccn1)[*:1] O=C1CN(C(=O)COC(=O)[*:1])c2ccccc2N1
CCS[C@@H]1CCCC[C@H]1NC(=O)NCCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)NCCS(=O)(=O)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)NCCS(=O)(=O)c1ccccc1 CCS[*:1] O=C(NCCS(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@H]1[*:1]
Cc1ccc(N2CN(CCC[NH+](C)C)C[NH+]=C2c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N1CN(CCC[NH+](C)C)C[NH+]=C1[*:1]
Cc1ccc(N2CN(CCC[NH+](C)C)C[NH+]=C2c2ccccc2)cc1C Cc1ccc(cc1C)[*:1] C[NH+](C)CCCN1C[NH+]=C(c2ccccc2)N(C1)[*:1]
Cc1cc(=O)oc2cc(N/C=C(/C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)ccc12 c1cc2OCOc2cc1[*:1] Cc1cc(=O)oc2cc(ccc12)N/C=C(/C#N)c1nc(cs1)[*:1]
OCC[NH+](Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] OCC[NH+](Cc1ccccc1)C[*:1]
Cc1cc(C)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(=O)[nH]1 CC(C)(C)[*:1] Cc1cc(C)c(C(=O)N2CC[C@@H](NC(=O)O[*:1])[C@H](C)C2)c(=O)[nH]1
Cc1cc(C)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(=O)[nH]1 CC(C)(C)OC(=O)N[*:1] Cc1cc(C)c(C(=O)N2CC[C@@H]([C@H](C)C2)[*:1])c(=O)[nH]1
CO[C@H](C)C(=O)N(Cc1ccccn1)c1ccc(F)cc1 c1ccc(C[*:1])nc1 CO[C@H](C)C(=O)N(c1ccc(F)cc1)[*:1]
CO[C@H](C)C(=O)N(Cc1ccccn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](C)C(=O)N(Cc1ccccn1)[*:1]
CO[C@H](C)C(=O)N(Cc1ccccn1)c1ccc(F)cc1 c1ccc(nc1)[*:1] CO[C@H](C)C(=O)N(C[*:1])c1ccc(F)cc1
O=C(Nc1nnc(C2CC2)s1)N[C@@H](c1ccc(F)cc1)C1CCCC1 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)C1CC1)N[C@@H](C1CCCC1)[*:1]
O=C(Nc1nnc(C2CC2)s1)N[C@@H](c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1nnc(s1)C1CC1)N[C@@H](c1ccc(F)cc1)[*:1]
O=C(Nc1nnc(C2CC2)s1)N[C@@H](c1ccc(F)cc1)C1CCCC1 C1CC1[*:1] O=C(Nc1nnc(s1)[*:1])N[C@@H](c1ccc(F)cc1)C1CCCC1
O=C(Nc1nnc(C2CC2)s1)N[C@@H](c1ccc(F)cc1)C1CCCC1 C1CC1c1nnc(s1)[*:1] O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)N[*:1]
CCCCC(=O)OCc1ccco1 CCCC[*:1] O=C(OCc1ccco1)[*:1]
CCCCC(=O)OCc1ccco1 CCC[*:1] O=C(C[*:1])OCc1ccco1
C/C=N/OC(=O)NC(CC)(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] C/C=N/OC(=O)NC(CC)(C(F)(F)F)[*:1]
C[C@H]1CC[C@@]2(CO)C(C(=O)[O-])=C[C@@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1 O=C([O-])[*:1] C[C@H]1CC[C@@]2(CO)C(=C[C@@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1)[*:1]
C[C@H]1CC[C@@]2(CO)C(C(=O)[O-])=C[C@@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1 c1cc(co1)C[*:1] C[C@H]1CC[C@@]2(CO)C(=C[C@@H](O)C[C@@H]2[C@@]1(C)C[*:1])C(=O)[O-]
C[C@H]1CC[C@@]2(CO)C(C(=O)[O-])=C[C@@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1 c1cc(co1)CC[*:1] C[C@H]1CC[C@@]2(CO)C(=C[C@@H](O)C[C@@H]2[C@]1(C)[*:1])C(=O)[O-]
C[C@H]1CC[C@@]2(CO)C(C(=O)[O-])=C[C@@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1 c1cc(co1)[*:1] C[C@H]1CC[C@@]2(CO)C(=C[C@@H](O)C[C@@H]2[C@@]1(C)CC[*:1])C(=O)[O-]
CSC[C@H](CCO)NC(=O)Nc1ccc2c(c1)CCO2 OCC[*:1] CSC[C@H](NC(=O)Nc1ccc2OCCc2c1)[*:1]
CSC[C@H](CCO)NC(=O)Nc1ccc2c(c1)CCO2 CSC[*:1] O=C(Nc1ccc2OCCc2c1)N[C@@H](CCO)[*:1]
CCC(CC)(NC(=O)C[C@@H]1CCC[NH2+]C1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)C[C@@H]1CCC[NH2+]C1)[*:1]
COc1ccccc1N1CC[C@H](N[C@@H](C)c2ccccn2)C1=O c1ccc(nc1)[*:1] COc1ccccc1N1CC[C@H](N[C@@H](C)[*:1])C1=O
C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(F)c(Cl)c1 C1CC1[*:1] C[C@H](Sc1nnc(N[*:1])s1)C(=O)Nc1ccc(F)c(Cl)c1
C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(F)c(Cl)c1 C1CC1N[*:1] C[C@H](Sc1nnc(s1)[*:1])C(=O)Nc1ccc(F)c(Cl)c1
CC(C)n1c(SCc2nnc3n(C)c(=O)c4sccc4n23)nc2ccccc2c1=O CC(C)[*:1] Cn1c(=O)c2sccc2n2c(CSc3nc4ccccc4c(=O)n3[*:1])nnc12
CC[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)C(=O)OC CC[C@H](C(=O)OC)[*:1] O=C(N[*:1])c1ccc(cc1)-n1ccnn1
CC[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
CC[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)C(=O)OC c1cn(nn1)[*:1] CC[C@H](NC(=O)c1ccc(cc1)[*:1])C(=O)OC
C/C=C(/C)C(=O)O[C@H]1[C@@H](O[C@@]2(C)CC[C@@H](O)[C@@]3(C)CC=C(C(C)C)C[C@@H]23)O[C@H](C)[C@H](O)[C@H]1O CC(C)[*:1] C/C=C(/C)C(=O)O[C@H]1[C@H](O[C@H](C)[C@H](O)[C@H]1O)O[C@@]1(C)CC[C@@H](O)[C@@]2(C)CC=C(C[C@@H]12)[*:1]
C/C=C(/C)C(=O)O[C@H]1[C@@H](O[C@@]2(C)CC[C@@H](O)[C@@]3(C)CC=C(C(C)C)C[C@@H]23)O[C@H](C)[C@H](O)[C@H]1O CC=C(C)[*:1] CC(C)C1=CC[C@]2(C)[C@H](O)CC[C@](C)(O[C@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@H]3OC(=O)[*:1])[C@@H]2C1
C/C=C(/C)C(=O)O[C@H]1[C@@H](O[C@@]2(C)CC[C@@H](O)[C@@]3(C)CC=C(C(C)C)C[C@@H]23)O[C@H](C)[C@H](O)[C@H]1O C/C=C(/C)C(=O)O[*:1] CC(C)C1=CC[C@]2(C)[C@H](O)CC[C@](C)(O[C@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@H]3[*:1])[C@@H]2C1
Cc1ccc(-n2ncc(C(=O)Nc3cccc(N4CCCC4=O)c3)c2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1ncc(C(=O)Nc2cccc(c2)N2CCCC2=O)c1[*:1]
Cc1ccc(-n2ncc(C(=O)Nc3cccc(N4CCCC4=O)c3)c2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)c1c(cnn1[*:1])C(=O)Nc1cccc(c1)N1CCCC1=O
Cc1ccc(-n2ncc(C(=O)Nc3cccc(N4CCCC4=O)c3)c2C(C)C)cc1 O=C1CCCN1[*:1] Cc1ccc(cc1)-n1ncc(C(=O)Nc2cccc(c2)[*:1])c1C(C)C
O=C(Cc1csc(-c2cccc(Br)c2)n1)NC1CC1 C1CC1[*:1] O=C(Cc1csc(n1)-c1cccc(Br)c1)N[*:1]
O=C(Cc1csc(-c2cccc(Br)c2)n1)NC1CC1 O=C(NC1CC1)[*:1] Brc1cccc(c1)-c1nc(cs1)C[*:1]
CCC[C@@H]1CN(Cc2ccc(OCC)cc2)CC[NH2+]1 CCC[*:1] CCOc1ccc(cc1)CN1CC[NH2+][C@@H](C1)[*:1]
CCC[C@@H]1CN(Cc2ccc(OCC)cc2)CC[NH2+]1 CCO[*:1] CCC[C@@H]1CN(CC[NH2+]1)Cc1ccc(cc1)[*:1]
OCCCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 OCCCC[*:1] Clc1ccc(cc1Cl)C[NH2+]C[*:1]
OCCCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 OCCC[*:1] Clc1ccc(cc1Cl)C[NH2+]CC[*:1]
OCCCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 OCC[*:1] Clc1ccc(cc1Cl)C[NH2+]CCC[*:1]
CC[C@H]1CCC[C@H](NC(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)C1 CC[C@H]1CCC[C@H](C1)[*:1] O=C(CC[S@@](=O)c1ccc2OCCOc2c1)N[*:1]
COc1ccc(-c2[nH+]c([C@H]3CC(=O)N(CC(C)C)C3)[nH]c2C)cc1 CC(C)C[*:1] COc1ccc(cc1)-c1[nH+]c([nH]c1C)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(-c2[nH+]c([C@H]3CC(=O)N(CC(C)C)C3)[nH]c2C)cc1 COc1ccc(cc1)[*:1] Cc1[nH]c([nH+]c1[*:1])[C@H]1CC(=O)N(CC(C)C)C1
COc1ccc(-c2[nH+]c([C@H]3CC(=O)N(CC(C)C)C3)[nH]c2C)cc1 CC(C)[*:1] COc1ccc(cc1)-c1[nH+]c([nH]c1C)[C@H]1CC(=O)N(C1)C[*:1]
COC(=O)[C@H](C)Oc1ccc(Cl)cc1C COC(=O)[*:1] Cc1cc(Cl)ccc1O[C@@H](C)[*:1]
C[C@H](NC(=O)c1cccc(SCC#N)c1)C(=O)N1CCCC[C@@H]1C N#CC[*:1] C[C@H](NC(=O)c1cccc(c1)S[*:1])C(=O)N1CCCC[C@@H]1C
C[C@H](NC(=O)c1cccc(SCC#N)c1)C(=O)N1CCCC[C@@H]1C N#CCS[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])C(=O)N1CCCC[C@@H]1C
Cc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 Cc1cccc(c1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N(C)[*:1]
Cc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)N(C)C(=O)c1ccc(c(C)c1)[*:1]
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCNC(=O)c2cccs2)cc1 CC(C)(C)[*:1] N#C[C@@H](NC(=O)CCNC(=O)c1cccs1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCNC(=O)c2cccs2)cc1 O=C(N[*:1])c1cccs1 CC(C)(C)c1ccc(cc1)[C@@H](C#N)NC(=O)CC[*:1]
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCNC(=O)c2cccs2)cc1 c1csc(c1)[*:1] CC(C)(C)c1ccc(cc1)[C@@H](C#N)NC(=O)CCNC(=O)[*:1]
Cc1ccc(NC(=O)CSCC(=O)Nc2cccc3ncccc23)cc1 Cc1ccc(cc1)[*:1] O=C(CSCC(=O)N[*:1])Nc1cccc2ncccc12
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)C[*:1]
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Br)cc2)CC1 Brc1ccc(cc1)C[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)[*:1]
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Br)cc2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)Cc1ccc(Br)cc1
CCC(CC)[C@@H](CNC(=O)c1cncc(C)c1)[NH+](C)C CCC(CC)[*:1] Cc1cncc(c1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
O=C(NC[C@]1(O)CCCc2ccccc21)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(NC[C@]1(O)CCCc2ccccc21)N[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 CC(C)[*:1] C[C@@H](O)CN(C(=O)Nc1ccnc(c1)C(=O)N(C)C)[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 C[C@@H](O)C[*:1] CC(C)N(C(=O)Nc1ccnc(c1)C(=O)N(C)C)[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC(C)N(C[C@@H](C)O)C(=O)Nc1ccnc(c1)[*:1]
Cc1nnc2ccc(N3CCCC[C@H]3C(C)C)nn12 CC(C)[*:1] Cc1nnc2ccc(nn12)N1CCCC[C@@H]1[*:1]
Cc1ccccc1N1CCN(Cc2cc(=O)n3ccsc3[nH+]2)CC1 Cc1ccccc1[*:1] O=c1cc(CN2CCN(CC2)[*:1])[nH+]c2sccn12
CC(=O)NCCS(=O)(=O)N1c2ccccc2C[C@@H]1C CC(=O)NC[*:1] C[C@H]1Cc2ccccc2N1S(=O)(=O)C[*:1]
CC(=O)NCCS(=O)(=O)N1c2ccccc2C[C@@H]1C CC(=O)NCC[*:1] C[C@H]1Cc2ccccc2N1S(=O)(=O)[*:1]
CC(=O)NCCS(=O)(=O)N1c2ccccc2C[C@@H]1C CC(=O)N[*:1] C[C@H]1Cc2ccccc2N1S(=O)(=O)CC[*:1]
O=C(Cc1coc2ccc(F)cc12)N[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(Cc1coc2ccc(F)cc12)N[*:1]
CC[C@@H](C)Nc1ccc(C[NH3+])cc1C(F)(F)F CC[C@@H](C)[*:1] [NH3+]Cc1ccc(N[*:1])c(c1)C(F)(F)F
CC[C@@H](C)Nc1ccc(C[NH3+])cc1C(F)(F)F CC[C@@H](C)N[*:1] [NH3+]Cc1ccc(c(c1)C(F)(F)F)[*:1]
CC[C@@H](C)Nc1ccc(C[NH3+])cc1C(F)(F)F FC(F)(F)[*:1] CC[C@@H](C)Nc1ccc(cc1[*:1])C[NH3+]
Cc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)N(C)c4ccccc43)C3=C2CC(C)(C)CC3=O)cc1Cl Cc1ccc(cc1Cl)[*:1] CN1C(=O)[C@]2(C(C#N)=C(N)N(C3CC(C)(C)CC(=O)C=32)[*:1])c2ccccc21
Cc1c(NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)c2cccc(c2)NC(=O)[C@@H]2Cc3ccccc3O2)c(=O)n(n1C)[*:1]
C[NH+](Cc1ccccc1NC(=O)N1CCN(Cc2ccncc2)CC1)C1CCCCC1 c1cc(ccn1)[*:1] C[NH+](Cc1ccccc1NC(=O)N1CCN(CC1)C[*:1])C1CCCCC1
C[NH+](Cc1ccccc1NC(=O)N1CCN(Cc2ccncc2)CC1)C1CCCCC1 c1cc(ccn1)C[*:1] C[NH+](Cc1ccccc1NC(=O)N1CCN(CC1)[*:1])C1CCCCC1
N#CCCn1cc(CN2CCO[C@H](C#N)C2)c(-c2ccccc2)n1 N#CCC[*:1] N#C[C@@H]1CN(CCO1)Cc1cn(nc1-c1ccccc1)[*:1]
N#CCCn1cc(CN2CCO[C@H](C#N)C2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] N#CCCn1cc(CN2CCO[C@H](C#N)C2)c(n1)[*:1]
N#CCCn1cc(CN2CCO[C@H](C#N)C2)c(-c2ccccc2)n1 N#CC[*:1] N#C[C@@H]1CN(CCO1)Cc1cn(C[*:1])nc1-c1ccccc1
CC(=O)NC[C@H]1CC=C(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)S1 CC(=O)N[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)SCC(=O)C1=CC[C@H](C[*:1])S1
CC(=O)NC[C@H]1CC=C(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)S1 Cc1ccc(cc1)[*:1] CC(=O)NC[C@H]1CC=C(S1)C(=O)CSc1nc(n[nH]1)[*:1]
CC(=O)NC[C@H]1CC=C(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)S1 CC(=O)NC[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)SCC(=O)C1=CC[C@@H](S1)[*:1]
C[NH2+]Cc1ccc(O[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] C[NH2+]Cc1ccc(cc1)O[C@H](C)[*:1]
CCOc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3cccc(Cl)c3C)C2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)CS[C@H]1CC(=O)N(C1=O)[*:1]
CCOc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3cccc(Cl)c3C)C2=O)cc1 Cc1c(Cl)cccc1[*:1] CCOc1ccc(cc1)N1C(=O)C[C@H](SCC(=O)N[*:1])C1=O
CCOc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3cccc(Cl)c3C)C2=O)cc1 CCO[*:1] Cc1c(Cl)cccc1NC(=O)CS[C@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(C)nc(=O)c32)cc1 COc1ccc(cc1)[*:1] Cc1nc(=O)c2c(NC3CC(C)(C)CC(=O)C=3[C@@H]2[*:1])[nH]1
N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCN(C(=O)c2cccc(F)c2)CC1 Fc1ccc(C=C[*:1])cc1 N#Cc1nc(oc1N1CCN(CC1)C(=O)c1cccc(F)c1)[*:1]
N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCN(C(=O)c2cccc(F)c2)CC1 Fc1ccc(cc1)[*:1] N#Cc1nc(C=C[*:1])oc1N1CCN(CC1)C(=O)c1cccc(F)c1
N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCN(CC1)C(=O)[*:1]
Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@H]1COc2ccccc2C1 FC(F)(F)[*:1] Cc1cc(nn1CCNC(=O)[C@H]1COc2ccccc2C1)[*:1]
CC(C)(C)C(=O)COC(=O)Cc1ccc(Br)cc1 CC(C)(C)[*:1] O=C(Cc1ccc(Br)cc1)OCC(=O)[*:1]
CC(C)(C)C(=O)COC(=O)Cc1ccc(Br)cc1 CC(C)(C)C(=O)[*:1] O=C(Cc1ccc(Br)cc1)OC[*:1]
CN(CC[NH+]1CCCCC1)C(=O)c1cc(-c2cccnc2)[nH]n1 c1cncc(c1)[*:1] CN(CC[NH+]1CCCCC1)C(=O)c1cc([nH]n1)[*:1]
CCSc1cncc(-n2cc(Br)c(=O)c([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] CCSc1cncc(n1)-n1cc(Br)c(=O)c(c1)[*:1]
CCSc1cncc(-n2cc(Br)c(=O)c([N+](=O)[O-])c2)n1 CCS[*:1] O=c1c(Br)cn(cc1[N+](=O)[O-])-c1cncc(n1)[*:1]
COc1ccc(CNC(=O)C2CC[NH+](C/C=C/c3ccco3)CC2)cc1 C(=C[*:1])c1ccco1 COc1ccc(cc1)CNC(=O)C1CC[NH+](CC1)C[*:1]
COc1ccc(CNC(=O)C2CC[NH+](C/C=C/c3ccco3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])C1CC[NH+](C/C=C/c2ccco2)CC1
COc1ccc(CNC(=O)C2CC[NH+](C/C=C/c3ccco3)CC2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)CNC(=O)C1CC[NH+](CC=C[*:1])CC1
CC[C@H](NC(=O)NCc1ccc(Cl)nc1)c1cc(F)ccc1F Clc1ccc(cn1)[*:1] CC[C@H](NC(=O)NC[*:1])c1cc(F)ccc1F
CCC[NH2+]CCNS(=O)(=O)c1cccc2cnccc12 CCC[*:1] O=S(=O)(NCC[NH2+][*:1])c1cccc2cnccc12
CCn1nc(C)cc1-c1nnc(CCC(=O)N2CCN(Cc3ccc(F)cc3)CC2)o1 Fc1ccc(cc1)[*:1] CCn1nc(C)cc1-c1nnc(CCC(=O)N2CCN(CC2)C[*:1])o1
CCn1nc(C)cc1-c1nnc(CCC(=O)N2CCN(Cc3ccc(F)cc3)CC2)o1 CCn1nc(C)cc1[*:1] O=C(CCc1nnc(o1)[*:1])N1CCN(CC1)Cc1ccc(F)cc1
CCn1nc(C)cc1-c1nnc(CCC(=O)N2CCN(Cc3ccc(F)cc3)CC2)o1 Fc1ccc(cc1)C[*:1] CCn1nc(C)cc1-c1nnc(CCC(=O)N2CCN(CC2)[*:1])o1
CNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CNc1oc(nc1S(=O)(=O)[*:1])-c1ccc(F)cc1
CNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CNc1oc(nc1S(=O)(=O)c1ccc(F)cc1)[*:1]
Cc1ccccc1Cc1nnc(NC(=O)C[C@H]2C[NH2+]CCO2)s1 Cc1ccccc1[*:1] O=C(C[C@H]1C[NH2+]CCO1)Nc1nnc(C[*:1])s1
O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)N[*:1]
O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1 c1cncc(c1)[*:1] O=C(NC[C@H](N1CCc2ccccc2C1)[*:1])C(=O)Nc1ccccc1
O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1 c1ccc2CN(CCc2c1)[*:1] O=C(NC[C@H](c1cccnc1)[*:1])C(=O)Nc1ccccc1
CCc1cc(-c2ocnc2C[NH2+]CC(C)C)n(CC)n1 CC(C)C[*:1] CCc1cc(-c2ocnc2C[NH2+][*:1])n(CC)n1
CCc1cc(-c2ocnc2C[NH2+]CC(C)C)n(CC)n1 CC(C)[*:1] CCc1cc(-c2ocnc2C[NH2+]C[*:1])n(CC)n1
CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCCCO)cc21 OCC[*:1] CC(=O)N1CCCc2ccc(cc21)NC(=O)C(=O)NC[*:1]
CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCCCO)cc21 OCCC[*:1] CC(=O)N1CCCc2ccc(cc21)NC(=O)C(=O)N[*:1]
O=C(NC[C@H]1CCCN(C(=O)CC2CCC2)C1)Nc1cccc(F)c1 C1CC(C1)C[*:1] O=C(NC[C@H]1CCCN(C1)C(=O)[*:1])Nc1cccc(F)c1
O=C(NC[C@H]1CCCN(C(=O)CC2CCC2)C1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NC[C@H]1CCCN(C1)C(=O)CC1CCC1)N[*:1]
O=C(NC[C@H]1CCCN(C(=O)CC2CCC2)C1)Nc1cccc(F)c1 C1CC(C1)[*:1] O=C(NC[C@H]1CCCN(C1)C(=O)C[*:1])Nc1cccc(F)c1
COc1ccccc1CNC(=O)N(C)Cc1nnc(C2CC2)n1C COc1ccccc1[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)NC[*:1]
COc1ccccc1CNC(=O)N(C)Cc1nnc(C2CC2)n1C C1CC1[*:1] COc1ccccc1CNC(=O)N(C)Cc1nnc(n1C)[*:1]
O=C(N/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1)[*:1]
O=C(N/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1)c1ccccc1 c1ccc2[nH]c(nc2c1)[*:1] O=C(N/N=C(/C[*:1])c1ccccc1)c1ccccc1
O=C(N/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NN=C(Cc1nc2ccccc2[nH]1)[*:1])c1ccccc1
CC(C)c1nnc(CN2CCN(C(=O)CO)CC2)o1 CC(C)[*:1] O=C(CO)N1CCN(CC1)Cc1nnc(o1)[*:1]
CN(Cc1cccs1)S(=O)(=O)CCc1ccccc1 c1csc(c1)[*:1] CN(C[*:1])S(=O)(=O)CCc1ccccc1
CN(Cc1cccs1)S(=O)(=O)CCc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cccs1)S(=O)(=O)CC[*:1]
CN(Cc1cccs1)S(=O)(=O)CCc1ccccc1 c1csc(c1)C[*:1] CN(S(=O)(=O)CCc1ccccc1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)[*:1]
Cc1ccc(-n2nc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)ccc2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1nc(ccc1=O)N1CCN(CC1)S(=O)(=O)C[*:1]
Cc1ccc(-n2nc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)ccc2=O)cc1C Cc1ccc(cc1C)[*:1] O=c1ccc(nn1[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
Cc1ccc(-n2nc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)ccc2=O)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)-n1nc(ccc1=O)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)c1oc2ccccc2c1NC(=O)C[*:1]
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)NC(=O)c1oc2ccccc2c1NC(=O)[*:1]
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)Nc1c(oc2ccccc12)C(=O)N[*:1]
CCC(=O)Oc1ccc2c(C)c(C[C@H](C)O)c(=O)oc2c1 C[C@H](O)[*:1] CCC(=O)Oc1ccc2c(C)c(C[*:1])c(=O)oc2c1
CCC(=O)Oc1ccc2c(C)c(C[C@H](C)O)c(=O)oc2c1 CCC(=O)O[*:1] Cc1c(C[C@H](C)O)c(=O)oc2cc(ccc12)[*:1]
CCC(=O)Oc1ccc2c(C)c(C[C@H](C)O)c(=O)oc2c1 C[C@H](O)C[*:1] CCC(=O)Oc1ccc2c(C)c(c(=O)oc2c1)[*:1]
CC[C@@H](C)C[C@@H](O)c1c[nH+]cn1C(C)C CC[C@@H](C)[*:1] CC(C)n1c[nH+]cc1[C@H](O)C[*:1]
CC[C@@H](C)C[C@@H](O)c1c[nH+]cn1C(C)C CC(C)[*:1] CC[C@@H](C)C[C@@H](O)c1c[nH+]cn1[*:1]
CC[C@@H](C)C[C@@H](O)c1c[nH+]cn1C(C)C CC[C@@H](C)C[*:1] CC(C)n1c[nH+]cc1[C@H](O)[*:1]
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccc(OC)cc2[nH]1 COC(=O)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)cc1Cl N#CCO[*:1] Cc1ccc(cc1Cl)C(=O)N/N=C/c1ccccc1[*:1]
Cc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)cc1Cl N#CC[*:1] Cc1ccc(cc1Cl)C(=O)N/N=C/c1ccccc1O[*:1]
CCc1noc(CNc2ccccc2S[C@@H](C)CC#N)n1 N#CC[*:1] CCc1noc(CNc2ccccc2S[C@@H](C)[*:1])n1
CCc1noc(CNc2ccccc2S[C@@H](C)CC#N)n1 CCc1noc(n1)[*:1] C[C@@H](CC#N)Sc1ccccc1NC[*:1]
O=[N+]([O-])c1csc([N+](=O)[O-])n1 O=[N+]([O-])[*:1] O=[N+]([O-])c1csc(n1)[*:1]
O=[N+]([O-])c1csc([N+](=O)[O-])n1 O=[N+]([O-])[*:1] O=[N+]([O-])c1nc(cs1)[*:1]
C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2scc(C3CC3)c2c1=O c1ccc2c(c[nH]c2c1)[*:1] C=CCn1c(nc2scc(c2c1=O)C1CC1)SCC(=O)[*:1]
C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2scc(C3CC3)c2c1=O C=CC[*:1] O=C(CSc1nc2scc(c2c(=O)n1[*:1])C1CC1)c1c[nH]c2ccccc12
C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2scc(C3CC3)c2c1=O C1CC1[*:1] C=CCn1c(nc2scc(c2c1=O)[*:1])SCC(=O)c1c[nH]c2ccccc12
CCOC1CCN(/C(NCCc2nc3ccccc3[nH]2)=[NH+]\C)CC1 CCO[*:1] C/[NH+]=C(/NCCc1nc2ccccc2[nH]1)N1CCC(CC1)[*:1]
Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[*:1])[N+](=O)[O-])C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C
Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] Fc1cccc(c1)[*:1] Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[N+](=O)[O-])[*:1])C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C
O=C(Cc1cc(F)ccc1F)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] O=C(Cc1cc(F)ccc1F)Nc1ccccc1[*:1]
CN(C(=S)N[C@@H]1C=CS(=O)(=O)C1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=S)N[C@@H]1C=CS(=O)(=O)C1)[*:1]
O=C(NCC1CCN(C(=O)c2ccno2)CC1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccno1)O[*:1]
O=C(NCC1CCN(C(=O)c2ccno2)CC1)Oc1ccccc1 c1cc(on1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])Oc1ccccc1
CCCNC(=O)[C@@H]1CCCN(C(=O)NCC(C2CC2)C2CC2)C1 CCCNC(=O)[*:1] O=C(NCC(C1CC1)C1CC1)N1CCC[C@H](C1)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)NCC(C2CC2)C2CC2)C1 C1CC1[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)NCC(C1CC1)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)NCC(C2CC2)C2CC2)C1 C1CC1C(C1CC1)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)NC[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)NCC(C2CC2)C2CC2)C1 CCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)NCC(C1CC1)C1CC1
Cc1cccc(/C=C/C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c1 Cc1cccc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(C)(C)CNC(=O)C=C[*:1]
COc1cc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc1OC Cc1ccc(cc1)[*:1] COc1cc(OC)c(cc1OC)[C@H]1NC(=O)NC(C)=C1C(=O)N[*:1]
COc1cc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc1OC Cc1ccc(cc1)NC(=O)[*:1] COc1cc(OC)c(cc1OC)[C@H]1NC(=O)NC(C)=C1[*:1]
Cc1oc(C(C)C)cc1C(=O)N1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C CC(C)[*:1] Cc1oc(cc1C(=O)N1CCC2(CC1)[C@H](CC(=O)N2C)C(=O)[O-])[*:1]
Cc1oc(C(C)C)cc1C(=O)N1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C O=C([O-])[*:1] Cc1oc(cc1C(=O)N1CCC2(CC1)[C@@H](CC(=O)N2C)[*:1])C(C)C
COc1ccc2c(c1)CCCN2C(=O)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)CO[*:1] COc1ccc2c(c1)CCCN2C(=O)c1ccc(cc1)[*:1]
COc1ccc2c(c1)CCCN2C(=O)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] COc1ccc2c(c1)CCCN2C(=O)c1ccc(cc1)O[*:1]
COc1ccc2c(c1)CCCN2C(=O)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] COc1ccc2c(c1)CCCN2C(=O)c1ccc(cc1)OC[*:1]
O=C(c1c(F)cccc1Cl)N(Cc1ccc2[nH]ccc2c1)C1CC1 C1CC1[*:1] O=C(c1c(F)cccc1Cl)N(Cc1ccc2[nH]ccc2c1)[*:1]
O=C(c1c(F)cccc1Cl)N(Cc1ccc2[nH]ccc2c1)C1CC1 Fc1cccc(Cl)c1[*:1] O=C(N(Cc1ccc2[nH]ccc2c1)C1CC1)[*:1]
CC(C)COC(=O)C[C@H]1C(=O)NCCN1C=C1C(=O)CC(C)(C)CC1=O CC(C)[*:1] CC1(C)CC(=O)C(=CN2CCNC(=O)[C@@H]2CC(=O)OC[*:1])C(=O)C1
CC(C)COC(=O)C[C@H]1C(=O)NCCN1C=C1C(=O)CC(C)(C)CC1=O CC(C)C[*:1] CC1(C)CC(=O)C(=CN2CCNC(=O)[C@@H]2CC(=O)O[*:1])C(=O)C1
CC(C)COC(=O)C[C@H]1C(=O)NCCN1C=C1C(=O)CC(C)(C)CC1=O CC(C)COC(=O)[*:1] CC1(C)CC(=O)C(=CN2CCNC(=O)[C@@H]2C[*:1])C(=O)C1
CC(C)COC(=O)C[C@H]1C(=O)NCCN1C=C1C(=O)CC(C)(C)CC1=O CC(C)COC(=O)C[*:1] CC1(C)CC(=O)C(=CN2CCNC(=O)[C@@H]2[*:1])C(=O)C1
O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCOCC2)cs1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])c1cc(cs1)S(=O)(=O)N1CCOCC1
O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCOCC2)cs1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])c1cc(cs1)S(=O)(=O)N1CCOCC1
Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@@H]3CCOC3)cc2)on1 O=C(NC[*:1])[C@@H]1CCOC1 Cc1cc(on1)-c1cnc(nc1-c1ccc(cc1)[*:1])C(C)C
Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@@H]3CCOC3)cc2)on1 Cc1cc(on1)[*:1] CC(C)c1ncc(c(n1)-c1ccc(cc1)CNC(=O)[C@@H]1CCOC1)[*:1]
Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@@H]3CCOC3)cc2)on1 CC(C)[*:1] Cc1cc(on1)-c1cnc(nc1-c1ccc(cc1)CNC(=O)[C@@H]1CCOC1)[*:1]
COc1cc(C[NH+](C)CC(=O)N2CCC(O)CC2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C[NH+](C)CC(=O)N1CCC(O)CC1
COc1cc(C[NH+](C)CC(=O)N2CCC(O)CC2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C[NH+](C)CC(=O)N1CCC(O)CC1
COC(=O)[C@]1(SC)[C@@H]2C=C[C@H]1[C@@](O)(C1=CCCC1)C2 COC(=O)[*:1] CS[C@@]1([C@@H]2C=C[C@H]1[C@](O)(C2)C1=CCCC1)[*:1]
CC(C)n1cnnc1SCC(=O)N(C)Cc1cnn(C)c1 Cn1cc(cn1)C[*:1] CC(C)n1cnnc1SCC(=O)N(C)[*:1]
CC(C)n1cnnc1SCC(=O)N(C)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] CC(C)n1cnnc1SCC(=O)N(C)C[*:1]
CC(C)n1cnnc1SCC(=O)N(C)Cc1cnn(C)c1 CC(C)[*:1] CN(Cc1cnn(C)c1)C(=O)CSc1nncn1[*:1]
CCOC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCO4)c3c(N)n(C)nc3n2)CC1 c1cc2OCOc2cc1[*:1] CCOC(=O)C1CCN(CC1)c1nc(c2c(N)n(C)nc2n1)[*:1]
CCOC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCO4)c3c(N)n(C)nc3n2)CC1 CCOC(=O)[*:1] Cn1nc2nc(nc(-c3ccc4OCOc4c3)c2c1N)N1CCC(CC1)[*:1]
CCc1ccc(NS(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)cc1 Cc1noc(C)c1[*:1] CCc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)[*:1]
CCc1ccc(NS(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])-c1c(C)noc1C
C=CC(=O)Nc1ccc(-c2nc3cc(NC(=O)C=C)ccc3o2)cc1 C=CC(=O)N[*:1] C=CC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2o1)[*:1]
C=CC(=O)Nc1ccc(-c2nc3cc(NC(=O)C=C)ccc3o2)cc1 C=CC(=O)N[*:1] C=CC(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)[*:1]
COC[C@@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC[C@@H](C)NS(=O)(=O)Cc1ccc(cc1)[*:1]
COC[C@@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 COC[*:1] C[C@@H](NS(=O)(=O)Cc1ccc(cc1)[N+](=O)[O-])[*:1]
COC[C@@H](C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 COC[C@@H](C)[*:1] O=[N+]([O-])c1ccc(cc1)CS(=O)(=O)N[*:1]
CC(C)n1cnnc1[C@H]1CCCN(Cc2nc(C(F)(F)F)cs2)C1 CC(C)n1cnnc1[*:1] FC(F)(F)c1csc(CN2CCC[C@@H](C2)[*:1])n1
CC(C)n1cnnc1[C@H]1CCCN(Cc2nc(C(F)(F)F)cs2)C1 FC(F)(F)[*:1] CC(C)n1cnnc1[C@H]1CCCN(Cc2nc(cs2)[*:1])C1
CC(C)n1cnnc1[C@H]1CCCN(Cc2nc(C(F)(F)F)cs2)C1 CC(C)[*:1] FC(F)(F)c1csc(CN2CCC[C@@H](C2)c2nncn2[*:1])n1
CN(CCc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1F c1csc(c1)[*:1] CN(CC[*:1])C(=O)c1cc(ccc1F)[N+](=O)[O-]
CN(CCc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] CN(CCc1cccs1)C(=O)c1cc(ccc1F)[*:1]
CN(CCc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1F c1csc(c1)CC[*:1] CN(C(=O)c1cc(ccc1F)[N+](=O)[O-])[*:1]
CN(CCc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1F c1csc(c1)C[*:1] CN(C[*:1])C(=O)c1cc(ccc1F)[N+](=O)[O-]
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1c(C)n[nH]c1C(C)C CC(C)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1c(C)n[nH]c1[*:1]
C/C(=N\NC(=O)CNc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC(=NNC(=O)CNc1cccc2ccccc12)[*:1]
C/C(=N\NC(=O)CNc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)CNc1cccc2ccccc12)c1cccc(c1)[*:1]
Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2cccnc2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)OCC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2cccnc2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])N[C@@H](c1ccccc1)c1cccnc1
Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2cccnc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)N[C@@H](c1cccnc1)[*:1]
Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2cccnc2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)c1cccnc1
CC[C@@H]1COCCN1C(=O)NCCCCC(C)C CC(C)CC[*:1] CC[C@@H]1COCCN1C(=O)NCC[*:1]
CC[C@@H]1COCCN1C(=O)NCCCCC(C)C CC(C)C[*:1] CC[C@@H]1COCCN1C(=O)NCCC[*:1]
CC[C@@H]1COCCN1C(=O)NCCCCC(C)C CC(C)[*:1] CC[C@@H]1COCCN1C(=O)NCCCC[*:1]
CC[C@@H]1COCCN1C(=O)NCCCCC(C)C CC(C)CCC[*:1] CC[C@@H]1COCCN1C(=O)NC[*:1]
COC(=O)C(C)(C)NS(=O)(=O)c1c(C)noc1C COC(=O)[*:1] Cc1noc(C)c1S(=O)(=O)NC(C)(C)[*:1]
CNC(=O)c1cccc(CCNc2cc(C)c3ccccc3[nH+]2)c1 CNC(=O)[*:1] Cc1cc(NCCc2cccc(c2)[*:1])[nH+]c2ccccc12
Cc1ccc(-c2n[nH]cc2CN(CC(=O)N(C)C)CC(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN(CC(=O)N(C)C)C[*:1]
Cc1ccc(-c2n[nH]cc2CN(CC(=O)N(C)C)CC(F)(F)F)cc1 Cc1ccc(cc1)[*:1] CN(C)C(=O)CN(Cc1c[nH]nc1[*:1])CC(F)(F)F
Cc1ccc(-c2n[nH]cc2CN(CC(=O)N(C)C)CC(F)(F)F)cc1 CN(C)C(=O)C[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN(CC(F)(F)F)[*:1]
Cc1ccc(-c2n[nH]cc2CN(CC(=O)N(C)C)CC(F)(F)F)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN(CC(F)(F)F)C[*:1]
Cc1ccc(-c2n[nH]cc2CN(CC(=O)N(C)C)CC(F)(F)F)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN(CC(=O)N(C)C)[*:1]
O=S(=O)(/N=C(\[O-])Cc1ccc2c(c1)CCCC2)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=S(=O)(/N=C(\[O-])Cc1ccc2CCCCc2c1)[*:1]
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N2CC[C@H](C)[C@H](O)C2)c1 CC[C@H](C)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCc1cccc(c1)NC(=O)[*:1]
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N2CC[C@H](C)[C@H](O)C2)c1 CC[C@H](C)C(=O)N[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCc1cccc(c1)[*:1]
CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccccc3)cc2c1 C1CN(CCO1)CC[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)Nc1ccccc1)[*:1]
CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccccc3)cc2c1 c1ccc(cc1)[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)CN(CCN1CCOCC1)C(=O)N[*:1]
CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccccc3)cc2c1 C1CN(CCO1)C[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)CN(C[*:1])C(=O)Nc1ccccc1
CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccccc3)cc2c1 C1CN(CCO1)[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)CN(CC[*:1])C(=O)Nc1ccccc1
Cc1cc(Cl)ncc1NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cc(Cl)ncc1NC(=O)c1cccc(c1)C(=O)O[*:1]
Cc1cc(Cl)ncc1NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)OC(=O)[*:1] Cc1cc(Cl)ncc1NC(=O)c1cccc(c1)[*:1]
Cc1cc(Cl)ncc1NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 Cc1cc(Cl)ncc1[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)N[*:1]
CS(=O)(=O)N1CCCN(C(=O)NCCc2c(F)cccc2F)CC1 Fc1cccc(F)c1[*:1] CS(=O)(=O)N1CCCN(CC1)C(=O)NCC[*:1]
C#CCNC(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 C#CC[*:1] COc1cc(cc(OC)c1OC)[C@@H](C)NC(=O)N[*:1]
C#CCNC(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 C#CCNC(=O)N[*:1] COc1cc(cc(OC)c1OC)[C@@H](C)[*:1]
O=C(c1cn2ccccc2n1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 c1cncc(c1)[*:1] O=C(c1cn2ccccc2n1)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
O=C(c1cn2ccccc2n1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 c1ccn2cc(nc2c1)[*:1] O=C(N1CCC[C@@H](C1)c1[nH+]ccn1Cc1cccnc1)[*:1]
O=C(c1cn2ccccc2n1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 c1cncc(c1)C[*:1] O=C(c1cn2ccccc2n1)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
COc1ccc([C@@H](O)CNC(=O)Cc2c(C)nc3ccccc3c2C)cc1 COc1ccc(cc1)[*:1] Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H](O)[*:1]
Cc1cnc(-n2nnc(C(=O)Nc3cccc(F)c3)c2C)s1 Cc1cnc(s1)[*:1] Cc1c(nnn1[*:1])C(=O)Nc1cccc(F)c1
Cc1cnc(-n2nnc(C(=O)Nc3cccc(F)c3)c2C)s1 Fc1cccc(c1)[*:1] Cc1cnc(s1)-n1nnc(C(=O)N[*:1])c1C
CN(c1nccs1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 c1csc(n1)[*:1] CN([C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
CN(c1nccs1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CN(c1nccs1)[C@@H]1CCN(C1)C(=O)O[*:1]
C=CCO/N=C1\C[C@H]2[C@@H](C[C@@]1(C)[NH+](C)C)C2(C)C C=CC[*:1] C[NH+](C)[C@]1(C)C[C@@H]2[C@H](C/C1=N\O[*:1])C2(C)C
N#C[C@@H]1CNCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] N#C[C@@H]1CNCCN1S(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NC2CC2)c1=O)C1[NH+]=c2ccccc2=[NH+]1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)c1cn(cc(C(=O)NC2CC2)c1=O)C[*:1])C1[NH+]=c2ccccc2=[NH+]1
C[C@@H](NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NC2CC2)c1=O)C1[NH+]=c2ccccc2=[NH+]1 C1CCC(CC1)C[*:1] C[C@@H](NC(=O)c1cn(cc(C(=O)NC2CC2)c1=O)[*:1])C1[NH+]=c2ccccc2=[NH+]1
C[C@@H](NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NC2CC2)c1=O)C1[NH+]=c2ccccc2=[NH+]1 O=C(NC1CC1)[*:1] C[C@@H](NC(=O)c1cn(cc(c1=O)[*:1])CC1CCCCC1)C1[NH+]=c2ccccc2=[NH+]1
C[C@@H](NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NC2CC2)c1=O)C1[NH+]=c2ccccc2=[NH+]1 C1CC1[*:1] C[C@@H](NC(=O)c1cn(cc(C(=O)N[*:1])c1=O)CC1CCCCC1)C1[NH+]=c2ccccc2=[NH+]1
COC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)c2ccccc2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)c1ccccc1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)N[C@@H](C)[*:1]
CCc1ccc(NC(=O)C(=O)NCC2(C)CCCC2)cc1[N+](=O)[O-] CC1(CCCC1)[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)C(=O)NC[*:1]
CCc1ccc(NC(=O)C(=O)NCC2(C)CCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)C(=O)NCC1(C)CCCC1
CCc1ccc(NC(=O)C(=O)NCC2(C)CCCC2)cc1[N+](=O)[O-] CC1(CCCC1)C[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)C(=O)N[*:1]
CN(CCN1CCOCC1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 C1CN(CCO1)C[*:1] CN(C[*:1])C(=O)N[C@H]1CCN(C1)c1cccc(Cl)c1
CN(CCN1CCOCC1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CN(CCN1CCOCC1)C(=O)N[C@H]1CCN(C1)[*:1]
CN(CCN1CCOCC1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 C1CN(CCO1)CC[*:1] CN(C(=O)N[C@H]1CCN(C1)c1cccc(Cl)c1)[*:1]
CN(CCN1CCOCC1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 C1CN(CCO1)[*:1] CN(CC[*:1])C(=O)N[C@H]1CCN(C1)c1cccc(Cl)c1
Cc1ccsc1C[NH+](CCCO)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ccsc1C[NH+](CCCO)C[*:1]
Cc1ccsc1C[NH+](CCCO)Cc1ccccc1 OCC[*:1] Cc1ccsc1C[NH+](Cc1ccccc1)C[*:1]
Cc1ccsc1C[NH+](CCCO)Cc1ccccc1 OCCC[*:1] Cc1ccsc1C[NH+](Cc1ccccc1)[*:1]
Cc1ccsc1C[NH+](CCCO)Cc1ccccc1 Cc1ccsc1[*:1] OCCC[NH+](Cc1ccccc1)C[*:1]
CC[C@H](NC[C@H](O)c1c(F)cccc1F)c1ccc2c(c1)CCO2 Fc1cccc(F)c1[*:1] CC[C@H](NC[C@H](O)[*:1])c1ccc2OCCc2c1
COCCNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O COCCNC(=O)C[*:1] Cc1oc2c(C)c3oc(=O)c(c(C)c3cc2c1C)[*:1]
COCCNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O COCCNC(=O)[*:1] Cc1oc2c(C)c3oc(=O)c(C[*:1])c(C)c3cc2c1C
COCCNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O COCC[*:1] Cc1oc2c(C)c3oc(=O)c(CC(=O)N[*:1])c(C)c3cc2c1C
COCCNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O COC[*:1] Cc1oc2c(C)c3oc(=O)c(CC(=O)NC[*:1])c(C)c3cc2c1C
CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H]([C@@H](C)C(=O)c1ccccc1)[*:1]
CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)c1ccccc1 CC(=O)N[*:1] C[C@@H](C(=O)c1ccccc1)[C@H](c1ccccc1)[*:1]
CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[*:1]
Cc1c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1
CC(C)(C)c1cc(NC(=O)CCC2CC2)c(C#N)s1 CC(C)(C)[*:1] N#Cc1sc(cc1NC(=O)CCC1CC1)[*:1]
CC(C)(C)c1cc(NC(=O)CCC2CC2)c(C#N)s1 C1CC1C[*:1] CC(C)(C)c1cc(NC(=O)C[*:1])c(C#N)s1
CC(C)(C)c1cc(NC(=O)CCC2CC2)c(C#N)s1 C1CC1CC[*:1] CC(C)(C)c1cc(NC(=O)[*:1])c(C#N)s1
CC(C)(C)c1cc(NC(=O)CCC2CC2)c(C#N)s1 C1CC1[*:1] CC(C)(C)c1cc(NC(=O)CC[*:1])c(C#N)s1
Cc1cc(CNC(=O)N2CC[C@H]([N+]3=CCCC3)C2)no1 Cc1cc(no1)[*:1] O=C(NC[*:1])N1CC[C@@H](C1)[N+]1=CCCC1
CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(c1)[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CC[C@@H](C)[*:1] O=C(N[C@@H](C(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])[*:1])c1ccc(Cl)cc1
CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](NC(=O)[*:1])C(=O)Nc1ccc(F)c(c1)[N+](=O)[O-]
CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 C1CCCN(CC1)C[*:1] CCOC(=O)C1=C(NC(=O)N[C@H]1c1ccc(cc1)OC)[*:1]
CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1[*:1]
CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 CCOC(=O)[*:1] COc1ccc(cc1)[C@@H]1NC(=O)NC(CN2CCCCCC2)=C1[*:1]
CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 C1CCCN(CC1)[*:1] CCOC(=O)C1=C(C[*:1])NC(=O)N[C@H]1c1ccc(cc1)OC
NC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3F)o2)ccc1Cl NC(=O)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1ccc(o1)-c1ccccc1F
NC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3F)o2)ccc1Cl Fc1ccccc1[*:1] NC(=O)c1cc(ccc1Cl)NC(=O)c1ccc(o1)[*:1]
C[NH+](CCC#N)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] C[NH+](CCC#N)CC(=O)Nc1ccc(c(Cl)c1)[*:1]
C[NH+](CCC#N)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] C[NH+](CCC#N)CC(=O)Nc1ccc(O[*:1])c(Cl)c1
C[NH+](CCC#N)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 N#CC[*:1] C[NH+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[*:1]
CCn1nc(C)c(CN2CCN(CCN3C(=O)CCC3=O)CC2)c1C O=C1CCC(=O)N1C[*:1] CCn1nc(C)c(CN2CCN(CC2)C[*:1])c1C
CCn1nc(C)c(CN2CCN(CCN3C(=O)CCC3=O)CC2)c1C O=C1CCC(=O)N1[*:1] CCn1nc(C)c(CN2CCN(CC2)CC[*:1])c1C
O=[N+]([O-])c1cnc(NCCc2ccc(F)cc2)c(Br)c1 O=[N+]([O-])[*:1] Fc1ccc(cc1)CCNc1ncc(cc1Br)[*:1]
C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 C[C@H]1CCCC[C@@H]1O[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)CC(=O)NCC[*:1]
C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 C[C@H]1C[C@H]1[*:1] C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN(CC1)C(=O)[*:1]
C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 C[C@H]1CCCC[C@H]1[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)CC(=O)NCCO[*:1]
Cc1ccccc1[S@@](=O)CCC(=O)NCc1ccc(F)cc1 Cc1ccccc1[*:1] O=C(CC[S@](=O)[*:1])NCc1ccc(F)cc1
Cc1ccccc1[S@@](=O)CCC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccccc1[S@@](=O)CCC(=O)NC[*:1]
COc1ccccc1-c1noc(CS(=O)(=O)C[C@@H](O)c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] COc1ccccc1-c1noc(CS(=O)(=O)C[C@@H](O)[*:1])n1
COc1ccccc1-c1noc(CS(=O)(=O)C[C@@H](O)c2cccc(F)c2)n1 COc1ccccc1[*:1] O=S(=O)(Cc1nc(no1)[*:1])C[C@@H](O)c1cccc(F)c1
CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 CCC[*:1] O=S(=O)(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 CCCC[*:1] O=S(=O)(c1ccc2ccccc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCc1cccc([N+]2=CCCC2)c1)NCC1(O)CCSCC1 OC1(CCSCC1)[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)NC[*:1]
O=C(NCc1cccc([N+]2=CCCC2)c1)NCC1(O)CCSCC1 OC1(CCSCC1)C[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)N[*:1]
O=C(NCC(=O)N1CCC[C@H]1c1ccccc1)c1ccccc1F c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCC[C@@H]1[*:1])c1ccccc1F
O=C(NCC(=O)N1CCC[C@H]1c1ccccc1)c1ccccc1F Fc1ccccc1[*:1] O=C(CNC(=O)[*:1])N1CCC[C@H]1c1ccccc1
Cc1ccc(-c2nc(C)c(C)c(OCCC(=O)[O-])n2)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)-c1nc(C)c(C)c(n1)OC[*:1]
Cc1ccc(-c2nc(C)c(C)c(OCCC(=O)[O-])n2)cc1 O=C([O-])CC[*:1] Cc1ccc(cc1)-c1nc(C)c(C)c(n1)O[*:1]
Cc1ccc(-c2nc(C)c(C)c(OCCC(=O)[O-])n2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(nc(OCCC(=O)[O-])c1C)[*:1]
Cc1ccc(-c2nc(C)c(C)c(OCCC(=O)[O-])n2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1nc(C)c(C)c(n1)OCC[*:1]
Cc1ccc(-c2nc(C)c(C)c(OCCC(=O)[O-])n2)cc1 O=C([O-])CCO[*:1] Cc1ccc(cc1)-c1nc(C)c(C)c(n1)[*:1]
COc1ccc(NC(=O)C(C)(C)c2cccc(F)c2)c(OC)c1OC Fc1cccc(c1)[*:1] COc1ccc(NC(=O)C(C)(C)[*:1])c(OC)c1OC
Cc1cc(NC(=O)C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)c2ccccc2n1 Cc1cc(c2ccccc2n1)[*:1] O=C(NCC1CCN(CC1)C(=O)Oc1ccccc1)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)c2ccccc2n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)NCC2CCN(CC2)C(=O)O[*:1])c2ccccc2n1
O=C(c1cc2cccnc2n(Cc2ccccc2F)c1=O)N1CCCCC1 Fc1ccccc1[*:1] O=C(c1cc2cccnc2n(C[*:1])c1=O)N1CCCCC1
O=C(c1cc2cccnc2n(Cc2ccccc2F)c1=O)N1CCCCC1 Fc1ccccc1C[*:1] O=C(c1cc2cccnc2n(c1=O)[*:1])N1CCCCC1
O=C(c1cc2cccnc2n(Cc2ccccc2F)c1=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=c1c(cc2cccnc2n1Cc1ccccc1F)[*:1]
CCc1nnc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)s1 CCc1nnc(s1)[*:1] Cc1cc(C)c2cc(C#N)c(nc2c1)SCC(=O)N[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)[C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)CC3)[nH+]c2)no1 Cc1ccc(cc1C)[*:1] CCc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)[C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)CC3)[nH+]c2)no1 CCc1nc(no1)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)c1 O=C([O-])[*:1] Cc1cccc(c1)NC(=O)COc1ccc(cc1)N1C[C@@H](CC1=O)[*:1]
Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)c1 Cc1cccc(c1)[*:1] O=C(COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)[O-])N[*:1]
CCc1[nH]nc(NC(=O)Nc2ccc(OCCOC)nc2)c1C COCCO[*:1] CCc1[nH]nc(NC(=O)Nc2ccc(nc2)[*:1])c1C
CCc1[nH]nc(NC(=O)Nc2ccc(OCCOC)nc2)c1C COCC[*:1] CCc1[nH]nc(NC(=O)Nc2ccc(nc2)O[*:1])c1C
CCc1[nH]nc(NC(=O)Nc2ccc(OCCOC)nc2)c1C COC[*:1] CCc1[nH]nc(NC(=O)Nc2ccc(nc2)OC[*:1])c1C
COc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 COc1cccc(c1)[*:1] O=C(c1ccc2OCOc2c1)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccccc1N1CC[C@@H](NC(=O)c2cnc3ccc(C)cn23)C1 COc1ccccc1[*:1] Cc1ccc2ncc(C(=O)N[C@@H]3CCN(C3)[*:1])n2c1
CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)CNc2ccc(C)cc2C)C1 CCC[*:1] Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCCN(C2)C(=O)[*:1])c(C)c1
CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)CNc2ccc(C)cc2C)C1 Cc1ccc(c(C)c1)[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)NNC(=O)CN[*:1]
CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)CNc2ccc(C)cc2C)C1 Cc1ccc(N[*:1])c(C)c1 CCCC(=O)N1CCC[C@@H](C1)C(=O)NNC(=O)C[*:1]
O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(COC(=O)c1nc(-c2ccccc2)n(n1)[*:1])c1ccc2OCOc2c1
O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(COC(=O)c1nc(n(n1)-c1ccccc1)[*:1])c1ccc2OCOc2c1
O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(OCC(=O)[*:1])c1nc(-c2ccccc2)n(n1)-c1ccccc1
CC(C)n1c(C(=O)Nc2cccc(Cl)c2)cc2sccc21 CC(C)[*:1] O=C(Nc1cccc(Cl)c1)c1cc2sccc2n1[*:1]
CC(C)n1c(C(=O)Nc2cccc(Cl)c2)cc2sccc21 Clc1cccc(c1)[*:1] CC(C)n1c(cc2sccc21)C(=O)N[*:1]
NC(=O)CC[C@H](NC(=O)CC1CC1)C(=O)[O-] O=C([O-])[*:1] NC(=O)CC[C@H](NC(=O)CC1CC1)[*:1]
NC(=O)CC[C@H](NC(=O)CC1CC1)C(=O)[O-] NC(=O)C[*:1] O=C(CC1CC1)N[C@@H](C[*:1])C(=O)[O-]
NC(=O)CC[C@H](NC(=O)CC1CC1)C(=O)[O-] C1CC1C[*:1] NC(=O)CC[C@H](NC(=O)[*:1])C(=O)[O-]
NC(=O)CC[C@H](NC(=O)CC1CC1)C(=O)[O-] NC(=O)[*:1] O=C(CC1CC1)N[C@@H](CC[*:1])C(=O)[O-]
NC(=O)CC[C@H](NC(=O)CC1CC1)C(=O)[O-] NC(=O)CC[*:1] O=C(CC1CC1)N[C@H](C(=O)[O-])[*:1]
NC(=O)CC[C@H](NC(=O)CC1CC1)C(=O)[O-] C1CC1[*:1] NC(=O)CC[C@H](NC(=O)C[*:1])C(=O)[O-]
C[C@H]1CCN(C(=O)CNC(=O)c2ccccc2)C[C@H]1O c1ccc(cc1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)CNC(=O)[*:1]
C[C@]1(C(=O)NC(c2ccccc2)c2ccccc2)CC1(Br)Br c1ccc(cc1)[*:1] C[C@@]1(CC1(Br)Br)C(=O)NC(c1ccccc1)[*:1]
CN(CC(C)(C)C[NH3+])C(=O)/C=C/c1ccco1 c1coc(c1)[*:1] CN(CC(C)(C)C[NH3+])C(=O)C=C[*:1]
CC[C@@H](C)n1ncc(C(=O)NCC2CCS(=O)(=O)CC2)c1C1CC1 O=S1(=O)CCC(CC1)[*:1] CC[C@@H](C)n1ncc(C(=O)NC[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NCC2CCS(=O)(=O)CC2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NCC2CCS(=O)(=O)CC2)c1[*:1]
C[C@H]1CC[C@@H](NC(=O)N2CCn3c(nnc3C(F)(F)F)C2)[C@H](C)C1 FC(F)(F)[*:1] C[C@H]1CC[C@@H](NC(=O)N2CCn3c(C2)nnc3[*:1])[C@H](C)C1
Cn1cc[nH+]c1[C@H](O)c1cccc(F)c1N1CCN(Cc2cc(F)ccc2F)CC1 Fc1ccc(F)c(c1)C[*:1] Cn1cc[nH+]c1[C@H](O)c1cccc(F)c1N1CCN(CC1)[*:1]
Cn1cc[nH+]c1[C@H](O)c1cccc(F)c1N1CCN(Cc2cc(F)ccc2F)CC1 Fc1ccc(F)c(c1)[*:1] Cn1cc[nH+]c1[C@H](O)c1cccc(F)c1N1CCN(CC1)C[*:1]
CN(CC(=O)O[C@H]1CCCc2ccccc21)C(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] CN(CC(=O)O[C@H]1CCCc2ccccc21)C(=O)[*:1]
CCC(CC)(C(=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C2(C)C O=C([O-])[*:1] CCC(CC)(N1C(=O)[C@H]2[C@@H](C1=O)C2(C)C)[*:1]
CCn1/c(=N/C(=O)CCN2CCCC2=O)[nH]c2cc(Br)ccc21 O=C1CCCN1C[*:1] CCn1/c(=N/C(=O)C[*:1])[nH]c2cc(Br)ccc21
CCn1/c(=N/C(=O)CCN2CCCC2=O)[nH]c2cc(Br)ccc21 O=C1CCCN1[*:1] CCn1/c(=N/C(=O)CC[*:1])[nH]c2cc(Br)ccc21
CC1(C)C(CNc2ccccc2C(N)=S)C1(C)C NC(=S)[*:1] CC1(C)C(CNc2ccccc2[*:1])C1(C)C
NC(=O)NCc1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)cc1 C1CCC(C1)O[*:1] NC(=O)NCc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
NC(=O)NCc1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)cc1 C1CCC(C1)[*:1] NC(=O)NCc1ccc(cc1)NC(=O)c1ccc(cc1)O[*:1]
NC(=O)NCc1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)cc1 NC(=O)NC[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)OC1CCCC1
NC(=O)NCc1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)cc1 NC(=O)N[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc(cc1)OC1CCCC1
COCCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 c1ccc(cc1)C[*:1] COCCN(C(=O)c1ccc(s1)-c1ccc2OCCOc2c1)[*:1]
COCCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 COC[*:1] O=C(c1ccc(s1)-c1ccc2OCCOc2c1)N(Cc1ccccc1)C[*:1]
COCCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 c1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)c1ccc(s1)-c1ccc2OCCOc2c1
COCCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 COCC[*:1] O=C(c1ccc(s1)-c1ccc2OCCOc2c1)N(Cc1ccccc1)[*:1]
Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)CC(N)=O)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@@H](N(C)CC(N)=O)[*:1]
Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)CC(N)=O)no1 NC(=O)[*:1] Cc1cc(no1)NC(=O)[C@@H](c1ccccc1)N(C)C[*:1]
Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)CC(N)=O)no1 CN(CC(N)=O)[*:1] Cc1cc(no1)NC(=O)[C@@H](c1ccccc1)[*:1]
Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)CC(N)=O)no1 Cc1cc(no1)[*:1] CN(CC(N)=O)[C@@H](C(=O)N[*:1])c1ccccc1
Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)CC(N)=O)no1 NC(=O)C[*:1] Cc1cc(no1)NC(=O)[C@@H](c1ccccc1)N(C)[*:1]
C/C=C/C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 CC=C[*:1] C[C@H]1CN(C(=O)[*:1])c2ccccc2NC1=O
COCCn1ccc2ccc(NC(=O)N[C@H](C)c3ccc(C)s3)cc21 Cc1ccc(s1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)N[C@H](C)[*:1]
COCCn1ccc2ccc(NC(=O)N[C@H](C)c3ccc(C)s3)cc21 COCC[*:1] Cc1ccc(s1)[C@@H](C)NC(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)N[C@H](C)c3ccc(C)s3)cc21 COC[*:1] Cc1ccc(s1)[C@@H](C)NC(=O)Nc1ccc2ccn(C[*:1])c2c1
CCNc1[nH+]n(CC(=O)Nc2ccc(C)c(F)c2)c(N)c1-c1nc(-c2ccccc2C)no1 Cc1ccc(cc1F)NC(=O)[*:1] CCNc1[nH+]n(C[*:1])c(N)c1-c1nc(no1)-c1ccccc1C
CCNc1[nH+]n(CC(=O)Nc2ccc(C)c(F)c2)c(N)c1-c1nc(-c2ccccc2C)no1 Cc1ccc(cc1F)[*:1] CCNc1[nH+]n(CC(=O)N[*:1])c(N)c1-c1nc(no1)-c1ccccc1C
CCNc1[nH+]n(CC(=O)Nc2ccc(C)c(F)c2)c(N)c1-c1nc(-c2ccccc2C)no1 Cc1ccccc1[*:1] CCNc1[nH+]n(CC(=O)Nc2ccc(C)c(F)c2)c(N)c1-c1nc(no1)[*:1]
CCNc1[nH+]n(CC(=O)Nc2ccc(C)c(F)c2)c(N)c1-c1nc(-c2ccccc2C)no1 CCN[*:1] Cc1ccc(cc1F)NC(=O)Cn1[nH+]c(c(-c2nc(no2)-c2ccccc2C)c1N)[*:1]
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 CC[C@@H](C)[*:1] Cc1cc(ccc1NC(=O)c1ccc(cc1)O[*:1])[N+](=O)[O-]
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 CC[C@@H](C)O[*:1] Cc1cc(ccc1NC(=O)c1ccc(cc1)[*:1])[N+](=O)[O-]
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 O=[N+]([O-])[*:1] CC[C@@H](C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1C)[*:1]
Cc1nc(-c2cccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(c1)[*:1]
Cc1nc(CC(CO)(CO)c2ccccc2F)cs1 Cc1nc(cs1)[*:1] OCC(CO)(C[*:1])c1ccccc1F
O=c1[nH]nc(CN2CCN(c3cc(F)ccc3F)CC2)[nH]1 O=c1[nH]nc([nH]1)[*:1] Fc1ccc(F)c(c1)N1CCN(CC1)C[*:1]
O=c1[nH]nc(CN2CCN(c3cc(F)ccc3F)CC2)[nH]1 O=c1[nH]nc(C[*:1])[nH]1 Fc1ccc(F)c(c1)N1CCN(CC1)[*:1]
CCOCC1CCN(C(=O)N[C@@H](C)c2cc(C)c(F)c(C)c2)CC1 CCO[*:1] Cc1cc(cc(C)c1F)[C@H](C)NC(=O)N1CCC(CC1)C[*:1]
CCOCC1CCN(C(=O)N[C@@H](C)c2cc(C)c(F)c(C)c2)CC1 CCOC[*:1] Cc1cc(cc(C)c1F)[C@H](C)NC(=O)N1CCC(CC1)[*:1]
C[C@H](NC(=O)N[C@H]1CCSc2c(F)cccc21)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H](NC(=O)N[C@H]1CCSc2c(F)cccc21)[*:1]
CC(C)(O)CN1CC[NH+](C[C@@H]2CCC(C)(C)[C@@H]2O)CC1 CC(C)(O)C[*:1] CC1(C)CC[C@@H](C[NH+]2CCN(CC2)[*:1])[C@H]1O
CC(C)(O)CN1CC[NH+](C[C@@H]2CCC(C)(C)[C@@H]2O)CC1 CC(C)(O)[*:1] CC1(C)CC[C@@H](C[NH+]2CCN(CC2)C[*:1])[C@H]1O
O=C(NCc1ccc(Br)cc1F)NC1CCOCC1 C1CC(CCO1)[*:1] O=C(NCc1ccc(Br)cc1F)N[*:1]
CC(=O)O[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2)C1 CC(=O)O[*:1] O=C([O-])[C@@H]1C[C@@H](CN1S(=O)(=O)c1ccc(F)cc1)[*:1]
CC(=O)O[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC(=O)O[C@H]1C[C@@H](C(=O)[O-])N(C1)S(=O)(=O)[*:1]
CC(=O)O[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2)C1 O=C([O-])[*:1] CC(=O)O[C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(F)cc1)[*:1]
CCc1nc(CCSC)n(CCc2ccccc2)n1 c1ccc(cc1)[*:1] CCc1nc(CCSC)n(CC[*:1])n1
CCc1nc(CCSC)n(CCc2ccccc2)n1 CSCC[*:1] CCc1nc(n(CCc2ccccc2)n1)[*:1]
CCc1nc(CCSC)n(CCc2ccccc2)n1 CSC[*:1] CCc1nc(C[*:1])n(CCc2ccccc2)n1
CC(C)OCCS(=O)(=O)N(C)Cc1ccc(O)cc1 CC(C)[*:1] CN(Cc1ccc(O)cc1)S(=O)(=O)CCO[*:1]
CC(C)OCCS(=O)(=O)N(C)Cc1ccc(O)cc1 CC(C)OCC[*:1] CN(Cc1ccc(O)cc1)S(=O)(=O)[*:1]
CC(C)OCCS(=O)(=O)N(C)Cc1ccc(O)cc1 CC(C)OC[*:1] CN(Cc1ccc(O)cc1)S(=O)(=O)C[*:1]
CC(C)OCCS(=O)(=O)N(C)Cc1ccc(O)cc1 CC(C)O[*:1] CN(Cc1ccc(O)cc1)S(=O)(=O)CC[*:1]
Cn1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2c1=O FC(F)(F)[*:1] Cn1cc(NC(=O)Nc2cccc(c2)[*:1])c2ccccc2c1=O
Cc1noc(C)c1CCCNc1ccc(C(=O)N(C)C)cn1 CN(C)C(=O)[*:1] Cc1noc(C)c1CCCNc1ccc(cn1)[*:1]
Cc1noc(C)c1CCCNc1ccc(C(=O)N(C)C)cn1 Cc1noc(C)c1[*:1] CN(C)C(=O)c1ccc(nc1)NCCC[*:1]
CC(C)N(Cc1ccccc1)C(=O)C1=Cc2ccccc2OC1 c1ccc(cc1)C[*:1] CC(C)N(C(=O)C1=Cc2ccccc2OC1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)C1=Cc2ccccc2OC1 c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)C1=Cc2ccccc2OC1
CC(C)N(Cc1ccccc1)C(=O)C1=Cc2ccccc2OC1 CC(C)[*:1] O=C(C1=Cc2ccccc2OC1)N(Cc1ccccc1)[*:1]
CCOCCCc1nnc(CC[NH3+])o1 [NH3+]CC[*:1] CCOCCCc1nnc(o1)[*:1]
CCOCCCc1nnc(CC[NH3+])o1 CCO[*:1] [NH3+]CCc1nnc(CCC[*:1])o1
CCOCCCc1nnc(CC[NH3+])o1 CCOC[*:1] [NH3+]CCc1nnc(CC[*:1])o1
C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 O=S(=O)(N1CCCC1)[*:1] C[C@H]1CCCN(CC1)C(=O)c1cc(ccc1O)[*:1]
CC[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1C)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1C)[*:1]
CC[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1C)C(=O)N1CCOCC1 Cc1ccccc1[*:1] CC[C@H](NC(=O)N1CCC[C@H]1[*:1])C(=O)N1CCOCC1
CCN(C(=O)CNC1(c2ccc(F)cc2)CCOCC1)C1CC1 Fc1ccc(cc1)[*:1] CCN(C(=O)CNC1(CCOCC1)[*:1])C1CC1
CCN(C(=O)CNC1(c2ccc(F)cc2)CCOCC1)C1CC1 C1CC1[*:1] CCN(C(=O)CNC1(CCOCC1)c1ccc(F)cc1)[*:1]
C[NH+](CCc1cccs1)Cc1cccc(C#CC[NH3+])c1 c1csc(c1)[*:1] C[NH+](CC[*:1])Cc1cccc(C#CC[NH3+])c1
C[NH+](CCc1cccs1)Cc1cccc(C#CC[NH3+])c1 c1csc(c1)C[*:1] C[NH+](Cc1cccc(C#CC[NH3+])c1)C[*:1]
C[NH+](CCc1cccs1)Cc1cccc(C#CC[NH3+])c1 [NH3+]CC#C[*:1] C[NH+](CCc1cccs1)Cc1cccc(c1)[*:1]
CN(C[C@@H]1CCCCO1)C(=O)c1cc(COc2cncc(Cl)c2)on1 Clc1cncc(c1)O[*:1] CN(C[C@@H]1CCCCO1)C(=O)c1cc(C[*:1])on1
CN(C[C@@H]1CCCCO1)C(=O)c1cc(COc2cncc(Cl)c2)on1 Clc1cncc(c1)[*:1] CN(C[C@@H]1CCCCO1)C(=O)c1cc(CO[*:1])on1
CN(C[C@@H]1CCCCO1)C(=O)c1cc(COc2cncc(Cl)c2)on1 C1CC[C@@H](C[*:1])OC1 CN(C(=O)c1cc(COc2cncc(Cl)c2)on1)[*:1]
CN(C[C@@H]1CCCCO1)C(=O)c1cc(COc2cncc(Cl)c2)on1 C1CC[C@H](OC1)[*:1] CN(C[*:1])C(=O)c1cc(COc2cncc(Cl)c2)on1
O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(C2CCCC2)C(=O)C1 C1CCC(C1)[*:1] O=C(Nc1ccc(cc1)OC[C@@H]1CCCO1)N1CCN(C(=O)C1)[*:1]
O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(C2CCCC2)C(=O)C1 C1CO[C@@H](C1)CO[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(C(=O)C1)C1CCCC1
Cc1cc(F)cc(C(=O)NCc2cccnc2-n2cccn2)c1 c1cnn(c1)[*:1] Cc1cc(F)cc(c1)C(=O)NCc1cccnc1[*:1]
O=C1NCCc2c1sc1ccc(C[C@H]3CCCO3)cc21 C1CO[C@H](C1)[*:1] O=C1NCCc2c1sc1ccc(cc21)C[*:1]
O=C1NCCc2c1sc1ccc(C[C@H]3CCCO3)cc21 C1CO[C@H](C1)C[*:1] O=C1NCCc2c1sc1ccc(cc21)[*:1]
Cn1ccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1=O Cn1ccc(cc1=O)[*:1] O=C(NCc1cc(Cl)c2OCCCOc2c1)[*:1]
Cc1cccc(O[C@H](C)C(=O)/C=C/N(C)C)c1 CN(C)C=C[*:1] Cc1cccc(c1)O[C@H](C)C(=O)[*:1]
Cc1cccc(O[C@H](C)C(=O)/C=C/N(C)C)c1 CN(C)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)C=C[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(OC)c1 COC[*:1] COc1cc(ccc1O)[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1C[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(OC)c1 COCC[*:1] COc1cc(ccc1O)[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(OC)c1 O=C(c1ccc(Cl)cc1)[*:1] COCCN1C(=O)C([O-])=C([C@H]1c1ccc(O)c(c1)OC)[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(OC)c1 Clc1ccc(cc1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(O)c(c1)OC
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(OC)c1 COc1cc(ccc1O)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1[*:1]
CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1nc(-c3ccccc3)cs1)C2 c1ccc(cc1)[*:1] CCn1nc(C(=O)N2CCCC2)c2C[C@@H](CCc21)NCc1nc(cs1)[*:1]
CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1nc(-c3ccccc3)cs1)C2 O=C(N1CCCC1)[*:1] CCn1nc(c2C[C@@H](CCc21)NCc1nc(cs1)-c1ccccc1)[*:1]
CSC1(C[NH2+][C@H](C)CC(F)(F)F)CCOCC1 FC(F)(F)[*:1] CSC1(CCOCC1)C[NH2+][C@H](C)C[*:1]
CSC1(C[NH2+][C@H](C)CC(F)(F)F)CCOCC1 FC(F)(F)C[*:1] CSC1(CCOCC1)C[NH2+][C@H](C)[*:1]
CCCn1cnnc1[C@H](C)NC(=O)C=C(C)C CC(C)=C[*:1] CCCn1cnnc1[C@H](C)NC(=O)[*:1]
CCCn1cnnc1[C@H](C)NC(=O)C=C(C)C CCC[*:1] CC(C)=CC(=O)N[C@@H](C)c1nncn1[*:1]
CC(C)(C)[C@H](C#N)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O CC(C)(C)[*:1] N#C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[*:1]
COc1ccc(OC)c(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)c1 c1csc(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@@H]1c2cc(OC)c(cc2C(=O)N(C)[C@H]1[*:1])OC
COc1ccc(OC)c(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)c1 COc1ccc(OC)c(c1)[*:1] COc1cc2C(=O)N(C)[C@H](c3cccs3)[C@H](C(=O)N[*:1])c2cc1OC
CC(C)C[C@@H](C[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)[*:1]
CC(C)C[C@@H](C[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C[*:1]
COc1nc(NCCO)nc(Nc2ccc(I)cc2)n1 OCCN[*:1] COc1nc(nc(n1)[*:1])Nc1ccc(I)cc1
COc1nc(NCCO)nc(Nc2ccc(I)cc2)n1 OCC[*:1] COc1nc(nc(n1)N[*:1])Nc1ccc(I)cc1
COCCN1C[C@H](C(=O)N[C@@H]2CCC[C@H](C)C2)CC1=O COC[*:1] C[C@H]1CCC[C@H](C1)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@H](C(=O)N[C@@H]2CCC[C@H](C)C2)CC1=O COCC[*:1] C[C@H]1CCC[C@H](C1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1nc(C(C)(C)C)cs1 C1CN(CCO1)[*:1] C[C@H](NC(=O)NCc1ccccc1C[*:1])c1nc(cs1)C(C)(C)C
C[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1nc(C(C)(C)C)cs1 CC(C)(C)c1csc(n1)[*:1] C[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)[*:1]
C[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1nc(C(C)(C)C)cs1 C1CN(CCO1)C[*:1] C[C@H](NC(=O)NCc1ccccc1[*:1])c1nc(cs1)C(C)(C)C
C[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1nc(cs1)[*:1]
O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)N[C@@H]1CCN(C1)[*:1]
O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@@H]1CCN(c2ccccc2)C1 c1cc(n[nH]1)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CCN(C1)c1ccccc1
COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4OC)C3)nn2)cc1 COc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4OC)C3)nn2)cc1 COc1ccc(Cl)cc1[*:1] COc1ccc(cc1)-c1ccc(nn1)N1CCC[C@H](C1)C(=O)N[*:1]
CCC(CC)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl CCC(CC)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
CCC(CC)NC(=O)c1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] CCC(CC)NC(=O)c1cc(ccc1Cl)[*:1]
Cc1cc(=O)oc2cc(OC(=O)C3CCOCC3)c(Cl)cc12 C1CC(CCO1)[*:1] Cc1cc(=O)oc2cc(OC(=O)[*:1])c(Cl)cc12
COc1cc(C)cc(C(=O)NCC[C@H](O)c2ccccc2)c1O c1ccc(cc1)[*:1] COc1cc(C)cc(C(=O)NCC[C@H](O)[*:1])c1O
Cc1ccc(C)c(N(C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c1 Cc1ccc(C)c(c1)[*:1] CN(C(=O)c1ccc2c(=O)n3CCCCCc3nc2c1)[*:1]
O=C1NC(=O)c2ccccc2/C1=C\Nc1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] O=C1NC(=O)c2ccccc2/C1=C\Nc1nc(cs1)[*:1]
COC[C@](C)(C#N)NS(=O)(=O)c1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] COC[C@](C)(C#N)NS(=O)(=O)c1ccc(cc1)O[*:1]
COC[C@](C)(C#N)NS(=O)(=O)c1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] COC[C@](C)(C#N)NS(=O)(=O)c1ccc(cc1)[*:1]
COC[C@](C)(C#N)NS(=O)(=O)c1ccc(OC2CCCC2)cc1 COC[*:1] C[C@](C#N)(NS(=O)(=O)c1ccc(cc1)OC1CCCC1)[*:1]
CC(=O)N1c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c(Br)cc2C[C@H]1C FC(F)(F)[*:1] CC(=O)N1c2cc(c(Br)cc2C[C@H]1C)S(=O)(=O)[N-]c1cccc(c1)[*:1]
N#Cc1ccc(SC[C@H](O)CO)c(N)c1 OC[C@@H](O)C[*:1] N#Cc1ccc(S[*:1])c(N)c1
N#Cc1ccc(SC[C@H](O)CO)c(N)c1 OC[C@@H](O)[*:1] N#Cc1ccc(SC[*:1])c(N)c1
Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc(OC(C)C)cc3)C2)n1 Cc1noc(n1)[*:1] CC(C)Oc1ccc(cc1)CNC(=O)N1CCC[C@H](C1)[*:1]
Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc(OC(C)C)cc3)C2)n1 CC(C)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C(=O)NCc1ccc(cc1)O[*:1]
Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc(OC(C)C)cc3)C2)n1 CC(C)O[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C(=O)NCc1ccc(cc1)[*:1]
CCN(Cc1csc(C(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 CC(C)[*:1] CCN(Cc1csc(n1)[*:1])[C@@H](C)c1ccc(C#N)cc1
COc1ccccc1Oc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] COc1ccccc1[*:1] O=C(NNc1ncnc(O[*:1])c1[N+](=O)[O-])c1ccc(Cl)cc1
COc1ccccc1Oc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1Oc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[*:1]
COc1ccccc1Oc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] Clc1ccc(cc1)[*:1] COc1ccccc1Oc1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
COc1ccccc1Oc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] COc1ccccc1O[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1ccc(Cl)cc1
CCOC(=O)[C@@H]1CCCC[C@H]1N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 C[C@H]1C[C@H]1[*:1] CCOC(=O)[C@@H]1CCCC[C@H]1N1CCN(CC1)C(=O)[*:1]
CCOC(=O)[C@@H]1CCCC[C@H]1N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 CCOC(=O)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)[C@@H]1CCCC[C@H]1[*:1]
CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)N[C@@H](C)C(C)C)n3C)cc2C1 CC(C)[*:1] CC[C@@H]1CCc2sc(cc2C1)-c1nnc(SCC(=O)N[C@@H](C)[*:1])n1C
CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)N[C@@H](C)C(C)C)n3C)cc2C1 CC(C)[C@H](C)NC(=O)C[*:1] CC[C@@H]1CCc2sc(cc2C1)-c1nnc(S[*:1])n1C
CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)N[C@@H](C)C(C)C)n3C)cc2C1 CC(C)[C@H](C)NC(=O)[*:1] CC[C@@H]1CCc2sc(cc2C1)-c1nnc(SC[*:1])n1C
CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)N[C@@H](C)C(C)C)n3C)cc2C1 CC(C)[C@H](C)[*:1] CC[C@@H]1CCc2sc(cc2C1)-c1nnc(SCC(=O)N[*:1])n1C
CC1(C)C[C@H](NC(=O)Cc2ccc[nH]2)c2ccccc2O1 c1c[nH]c(c1)[*:1] CC1(C)C[C@H](NC(=O)C[*:1])c2ccccc2O1
CC1(C)C[C@H](NC(=O)Cc2ccc[nH]2)c2ccccc2O1 c1c[nH]c(c1)C[*:1] CC1(C)C[C@H](NC(=O)[*:1])c2ccccc2O1
CSc1cccc(NC(=O)[C@H](C)Sc2nncn2C(C)C)c1 CC(C)[*:1] CSc1cccc(c1)NC(=O)[C@H](C)Sc1nncn1[*:1]
N#Cc1cccc(/C=C/C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c1 Fc1ccccc1[*:1] N#Cc1cccc(/C=C/C(=O)N[C@H]2CCCN(C2=O)[*:1])c1
N#Cc1cccc(/C=C/C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c1 N#Cc1cccc(c1)[*:1] O=C(C=C[*:1])N[C@H]1CCCN(C1=O)c1ccccc1F
C[NH2+][C@@H](c1csc2ccccc12)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] C[NH2+][C@@H](c1csc2ccccc12)[C@@H](C)[*:1]
CN1CCCN(S(=O)(=O)c2ccccc2F)c2cc(F)ccc21 Fc1ccccc1[*:1] CN1CCCN(c2cc(F)ccc21)S(=O)(=O)[*:1]
CC1=N[C@@H]([N+](=O)[O-])[C@@H](Sc2nc3ccc([N+](=O)[O-])cc3[nH]2)N1Cc1ccccc1 O=[N+]([O-])[*:1] CC1=N[C@@H]([C@@H](Sc2nc3ccc(cc3[nH]2)[N+](=O)[O-])N1Cc1ccccc1)[*:1]
CC1=N[C@@H]([N+](=O)[O-])[C@@H](Sc2nc3ccc([N+](=O)[O-])cc3[nH]2)N1Cc1ccccc1 c1ccc(cc1)[*:1] CC1=N[C@H]([C@@H](Sc2nc3ccc(cc3[nH]2)[N+](=O)[O-])N1C[*:1])[N+](=O)[O-]
CC1=N[C@@H]([N+](=O)[O-])[C@@H](Sc2nc3ccc([N+](=O)[O-])cc3[nH]2)N1Cc1ccccc1 O=[N+]([O-])[*:1] CC1=N[C@H]([C@@H](Sc2nc3ccc(cc3[nH]2)[*:1])N1Cc1ccccc1)[N+](=O)[O-]
CC1=N[C@@H]([N+](=O)[O-])[C@@H](Sc2nc3ccc([N+](=O)[O-])cc3[nH]2)N1Cc1ccccc1 c1ccc(cc1)C[*:1] CC1=N[C@H]([C@@H](Sc2nc3ccc(cc3[nH]2)[N+](=O)[O-])N1[*:1])[N+](=O)[O-]
C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(cc1)OC[*:1]
C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(OCC(F)(F)F)cc1 Cn1cc(C#N)cc1[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)OCC(F)(F)F
C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(cc1)O[*:1]
C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1 c1ccc(cc1)C[*:1] C[NH+](C)CCN(C(=O)Nc1nc2ccccc2s1)[*:1]
C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1 c1ccc(cc1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Nc1nc2ccccc2s1
CN(C)c1cc(C(=O)NCc2ccc([S@](C)=O)cc2)cc(Cl)n1 CN(C)[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)c1cc(Cl)nc(c1)[*:1]
Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 NC(=O)[*:1] Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1CCCc2[nH]c(=O)c(cc21)[*:1]
Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 Brc1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)N[C@@H]1CCCc2[nH]c(=O)c(cc21)C(N)=O)[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C O=S(=O)(N1CCCC1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)c1cc(cn1C)[*:1]
Cn1c(=O)n(C)c2cc(CNC[C@H](O)c3ccccc3)ccc21 c1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)CNC[C@H](O)[*:1]
N#Cc1ccc(OCC(=O)NNC(=O)Cc2c(F)cccc2F)cc1 Fc1cccc(F)c1[*:1] N#Cc1ccc(cc1)OCC(=O)NNC(=O)C[*:1]
N#Cc1ccc(OCC(=O)NNC(=O)Cc2c(F)cccc2F)cc1 N#Cc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=O)Cc1c(F)cccc1F
Clc1ccc(-c2ccc(-c3ccccc3)cc2)nn1 c1ccc(cc1)[*:1] Clc1ccc(nn1)-c1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1)c1ccccc1 O=C(C[*:1])N1CCCCC1 CC(C)[C@H](NC(=O)C[NH+]1CCN(CC1)[*:1])c1ccccc1
CC(C)[C@H](NC(=O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1)c1ccccc1 O=C(N1CCCCC1)[*:1] CC(C)[C@H](NC(=O)C[NH+]1CCN(CC1)C[*:1])c1ccccc1
CC(C)[C@H](NC(=O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1)c1ccccc1 CC(C)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N1CCCCC1)N[C@H](c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C[NH+]1CCN(CC1)CC(=O)N1CCCCC1)[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 Fc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)N(C[C@H]1CCCO1)C[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 NC(=O)[*:1] Cc1ccc(cc1NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1)[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 Fc1cccc(c1)C[*:1] Cc1ccc(cc1NC(=O)N(C[C@H]1CCCO1)[*:1])C(N)=O
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)Nc2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)N1C(=O)/C(=C/c2cccs2)N=C1SCC(=O)N[*:1]
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)Nc2ccccc2)cc1Cl c1csc(c1)[*:1] COc1ccc(cc1Cl)N1C(=O)C(=C[*:1])N=C1SCC(=O)Nc1ccccc1
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)Nc2ccccc2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(CSC1=N/C(=C\c2cccs2)C(=O)N1[*:1])Nc1ccccc1
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)Nc2ccccc2)cc1Cl O=C(C[*:1])Nc1ccccc1 COc1ccc(cc1Cl)N1C(=O)/C(=C/c2cccs2)N=C1S[*:1]
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)Nc2ccccc2)cc1Cl O=C(Nc1ccccc1)[*:1] COc1ccc(cc1Cl)N1C(=O)/C(=C/c2cccs2)N=C1SC[*:1]
Cc1cc(C)n2nc(SCC(=O)N3CCC(C(=O)[O-])CC3)nc2n1 O=C([O-])[*:1] Cc1cc(C)n2nc(nc2n1)SCC(=O)N1CCC(CC1)[*:1]
CC[C@H]1CC[C@@H]([C@H]([NH3+])[C@@H](C)CC)C1 CC[C@H](C)[*:1] CC[C@H]1CC[C@H](C1)[C@H]([NH3+])[*:1]
COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[C@H](c1ccc(C)cc1)[*:1]
COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc(OC)c1OC Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[C@H](c1ccccc1)[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 Clc1cccc(c1)O[*:1] C[C@@H](C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C)[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(c1)[*:1]
O=C(/C=C/c1ccco1)NNC(=O)Cc1cccc2ccccc12 C(=C[*:1])c1ccco1 O=C(Cc1cccc2ccccc12)NNC(=O)[*:1]
O=C(/C=C/c1ccco1)NNC(=O)Cc1cccc2ccccc12 c1coc(c1)[*:1] O=C(C=C[*:1])NNC(=O)Cc1cccc2ccccc12
COc1cccc2sc(NC(=O)CN3CCOCC3)nc12 C1CN(CCO1)C[*:1] COc1cccc2sc(nc12)NC(=O)[*:1]
COc1cccc2sc(NC(=O)CN3CCOCC3)nc12 C1CN(CCO1)[*:1] COc1cccc2sc(nc12)NC(=O)C[*:1]
CCCOc1ccc(-c2nc(N)ccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCCOc1ccc(cc1)-c1nc(N)ccc1[*:1]
CCCOc1ccc(-c2nc(N)ccc2[N+](=O)[O-])cc1 CCCO[*:1] Nc1ccc(c(n1)-c1ccc(cc1)[*:1])[N+](=O)[O-]
CCCOc1ccc(-c2nc(N)ccc2[N+](=O)[O-])cc1 CCC[*:1] Nc1ccc(c(n1)-c1ccc(cc1)O[*:1])[N+](=O)[O-]
Cc1cc(C(=O)CSc2nncs2)c(C)n1[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CSc2nncs2)c(C)n1[C@H](C)[*:1]
Cc1cc(C(=O)CSc2nncs2)c(C)n1[C@H](C)c1ccccc1 c1nnc(SC[*:1])s1 Cc1cc(C(=O)[*:1])c(C)n1[C@H](C)c1ccccc1
Cc1cc(C(=O)CSc2nncs2)c(C)n1[C@H](C)c1ccccc1 c1nnc(s1)[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1[C@H](C)c1ccccc1
Cc1cc(C(=O)CSc2nncs2)c(C)n1[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] Cc1cc(C(=O)CSc2nncs2)c(C)n1[*:1]
Cc1cc(C(=O)CSc2nncs2)c(C)n1[C@H](C)c1ccccc1 c1nnc(S[*:1])s1 Cc1cc(C(=O)C[*:1])c(C)n1[C@H](C)c1ccccc1
O=C(N1CCC[C@H](COc2ccc(F)cc2)C1)C1(Cn2cccn2)CC1 Fc1ccc(cc1)[*:1] O=C(N1CCC[C@H](CO[*:1])C1)C1(CC1)Cn1cccn1
O=C(N1CCC[C@H](COc2ccc(F)cc2)C1)C1(Cn2cccn2)CC1 c1cnn(c1)[*:1] O=C(N1CCC[C@H](COc2ccc(F)cc2)C1)C1(CC1)C[*:1]
O=C(N1CCC[C@H](COc2ccc(F)cc2)C1)C1(Cn2cccn2)CC1 Fc1ccc(cc1)O[*:1] O=C(N1CCC[C@@H](C1)C[*:1])C1(CC1)Cn1cccn1
O=C(N1CCC[C@H](COc2ccc(F)cc2)C1)C1(Cn2cccn2)CC1 c1cnn(c1)C[*:1] O=C(N1CCC[C@H](COc2ccc(F)cc2)C1)C1(CC1)[*:1]
CCCC[C@@H](CC)[C@@H](Br)Cc1ccccn1 CCCC[*:1] CC[C@@H]([C@@H](Br)Cc1ccccn1)[*:1]
CCCC[C@@H](CC)[C@@H](Br)Cc1ccccn1 CCC[*:1] CC[C@H](C[*:1])[C@@H](Br)Cc1ccccn1
Cc1ccccc1NC(=S)N1CCN(c2ccc(F)cc2)CC1 Cc1ccccc1[*:1] Fc1ccc(cc1)N1CCN(CC1)C(=S)N[*:1]
Cc1ccccc1NC(=S)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1ccccc1NC(=S)N1CCN(CC1)[*:1]
CC(=O)Nc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1 CC(=O)N[*:1] N#Cc1cccc(c1)CNC(=O)Nc1ccc(cc1)[*:1]
O=C([O-])c1cc(OCc2ccccc2C(F)(F)F)cs1 FC(F)(F)[*:1] O=C([O-])c1cc(cs1)OCc1ccccc1[*:1]
O=C([O-])c1cc(OCc2ccccc2C(F)(F)F)cs1 O=C([O-])[*:1] FC(F)(F)c1ccccc1COc1csc(c1)[*:1]
CCC[C@H](C)C[NH2+]CC(C)(C)S(C)(=O)=O CCC[C@H](C)[*:1] CC(C)(C[NH2+]C[*:1])S(C)(=O)=O
CCC[C@H](C)C[NH2+]CC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] CCC[C@H](C)C[NH2+]CC(C)(C)[*:1]
CCC[C@H](C)C[NH2+]CC(C)(C)S(C)(=O)=O CCC[*:1] C[C@H](C[NH2+]CC(C)(C)S(C)(=O)=O)[*:1]
CCOC(=O)C1=C(CSc2nc3ccc(Cl)cc3o2)NC(=O)N[C@H]1C CCOC(=O)[*:1] C[C@@H]1NC(=O)NC(CSc2nc3ccc(Cl)cc3o2)=C1[*:1]
Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 FC(F)(F)[*:1] Cc1cccc(n1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CC[NH2+][C@]1(C(=O)[O-])CC[C@@H](Sc2ccccc2C)C1 O=C([O-])[*:1] CC[NH2+][C@@]1(CC[C@H](C1)Sc1ccccc1C)[*:1]
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cccc3ccccc23)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(NC(=O)c2cccc3ccccc23)n(n1)[*:1]
O=[N+]([O-])/C=C/c1cccs1 O=[N+]([O-])[*:1] C(=C[*:1])c1cccs1
C[C@@H](CC(F)(F)F)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 FC(F)(F)[*:1] C[C@@H](C[*:1])[NH2+]C[C@H]1CCN(C1)S(C)(=O)=O
C[C@@H](CC(F)(F)F)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 FC(F)(F)C[*:1] C[C@@H]([NH2+]C[C@H]1CCN(C1)S(C)(=O)=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)C[C@H](C)c3c(C)noc3C)CC2)cc1 Cc1noc(C)c1[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)C[C@H](C)[*:1]
CCOc1ccc(C2=CCN(C(=O)C[C@H](C)c3c(C)noc3C)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1noc(C)c1[C@@H](C)CC(=O)N1CC=C(CC1)[*:1]
CCOc1ccc(C2=CCN(C(=O)C[C@H](C)c3c(C)noc3C)CC2)cc1 CCO[*:1] Cc1noc(C)c1[C@@H](C)CC(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
COc1ccc(-c2nc(CN3CCO[C@H](c4cccc(F)c4)C3)no2)cc1 COc1ccc(cc1)[*:1] Fc1cccc(c1)[C@@H]1CN(CCO1)Cc1noc(n1)[*:1]
COc1ccc(-c2nc(CN3CCO[C@H](c4cccc(F)c4)C3)no2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)-c1nc(CN2CCO[C@H](C2)[*:1])no1
Cc1ccc(SCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 Cc1ccc(cc1)S[*:1] Cc1ccc(cc1OCc1cc(=O)n2ccccc2n1)NC(=O)C[*:1]
Cc1ccc(SCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1OCc1cc(=O)n2ccccc2n1)NC(=O)CS[*:1]
Cc1ccc(SCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 Cc1ccc(cc1)SC[*:1] Cc1ccc(cc1OCc1cc(=O)n2ccccc2n1)NC(=O)[*:1]
O=C(NCc1ccco1)[C@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1ccco1)[C@H]1[NH+]=c2ccccc2=C1S[*:1]
O=C(NCc1ccco1)[C@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1
O=C(NCc1ccco1)[C@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] O=C(NCc1ccco1)[C@H]1[NH+]=c2ccccc2=C1[*:1]
O=C(NCc1ccco1)[C@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1
Cc1nn(C)c2ncc(NC(=O)c3ccc(Br)o3)cc12 Brc1ccc(o1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)[*:1]
CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc(NNC(=O)c3ccccc3F)c2N)C1 Fc1ccccc1[*:1] CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc(NNC(=O)[*:1])c2N)C1
CSc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)cc1NC(C)=O CC(=O)N[*:1] CSc1ccc(cc1[*:1])C(=O)CN1C(=O)c2ccccc2C1=O
Cc1cc(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)on1 CC(C)(C)[*:1] Cc1cc(on1)C(=O)NCC[C@H]1CCCN(C1)C(=O)O[*:1]
Cc1cc(C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)on1 Cc1cc(on1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)[*:1])C1
CCOC(=O)/C(N[C@@H]1CCS(=O)(=O)C1)=[NH+]\Nc1ccccc1Cl Clc1ccccc1[*:1] CCOC(=O)/C(N[C@@H]1CCS(=O)(=O)C1)=[NH+]\N[*:1]
CCOC(=O)/C(N[C@@H]1CCS(=O)(=O)C1)=[NH+]\Nc1ccccc1Cl O=S1(=O)CC[C@H](C1)[*:1] CCOC(=O)/C(N[*:1])=[NH+]\Nc1ccccc1Cl
CN(C)C(=O)C1CCN(C[C@H](C#N)CCC#N)CC1 CN(C)C(=O)[*:1] N#CCC[C@@H](C#N)CN1CCC(CC1)[*:1]
CN(C)C(=O)C1CCN(C[C@H](C#N)CCC#N)CC1 N#CCC[*:1] CN(C)C(=O)C1CCN(CC1)C[C@H](C#N)[*:1]
CN(C)C(=O)C1CCN(C[C@H](C#N)CCC#N)CC1 N#CC[*:1] CN(C)C(=O)C1CCN(CC1)C[C@H](C#N)C[*:1]
C/C(=N\NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=NNC(=O)c1cccc(c1)N1CCCC1=O)[*:1]
C/C(=N\NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(F)cc1 O=C1CCCN1[*:1] C/C(=N\NC(=O)c1cccc(c1)[*:1])c1ccc(F)cc1
O=S(=O)(Cc1nc(-c2cccs2)no1)c1ccc2ccccc2n1 c1csc(c1)[*:1] O=S(=O)(Cc1nc(no1)[*:1])c1ccc2ccccc2n1
COc1cc2c(cc1OC)C[NH+](CC(=O)Nc1cc(Cl)ccc1C#N)CC2 N#Cc1ccc(Cl)cc1[*:1] COc1cc2CC[NH+](CC(=O)N[*:1])Cc2cc1OC
CC1=C(C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)C2(CCCCC2)OC1=O c1ccc(cc1)C[*:1] CC1C(=O)OC2(CCCCC2)C=1C(=O)NCCC[NH+]1CCC(CC1)[*:1]
CC1=C(C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)C2(CCCCC2)OC1=O c1ccc(cc1)[*:1] CC1C(=O)OC2(CCCCC2)C=1C(=O)NCCC[NH+]1CCC(CC1)C[*:1]
CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O COc1ccc(cc1Cl)[*:1] CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
C[C@@H](NC(=O)c1c(O)cc(Cl)cc1Cl)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@@H](NC(=O)c1c(O)cc(Cl)cc1Cl)c1ccc(cc1)[*:1]
N#CC1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CCCC1 N#CC1(CCCC1)[*:1] O=C(CSc1nnc(o1)-c1ccc(Cl)cc1)N[*:1]
N#CC1(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CCCC1 Clc1ccc(cc1)[*:1] N#CC1(CCCC1)NC(=O)CSc1nnc(o1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC(C)C CC(C)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)N1CCN(C)CC1
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N1CCN(C)CC1
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OC2CCCC2)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)OC1CCCC1
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OC2CCCC2)c1 C1CCC(C1)[*:1] CC(=O)Nc1cc(cc(c1)C(=O)O[*:1])NC(C)=O
CC[NH+](Cc1cccc(C)n1)Cc1cc(C(=O)NN)no1 Cc1cccc(n1)[*:1] CC[NH+](Cc1cc(no1)C(=O)NN)C[*:1]
CC[NH+](Cc1cccc(C)n1)Cc1cc(C(=O)NN)no1 NNC(=O)[*:1] CC[NH+](Cc1cccc(C)n1)Cc1cc(no1)[*:1]
CC(C)CN(C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CC(C)CN(C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC(C)CN(C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 CC(C)C[*:1] C[C@H](NC(=O)N(C)[*:1])c1ccc(cc1)-n1cncn1
CC(C)CN(C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 CC(C)[*:1] C[C@H](NC(=O)N(C)C[*:1])c1ccc(cc1)-n1cncn1
Cn1nc(C(C)(C)C)cc1NC(=O)c1ccccn1 CC(C)(C)[*:1] Cn1nc(cc1NC(=O)c1ccccn1)[*:1]
Cn1nc(C(C)(C)C)cc1NC(=O)c1ccccn1 c1ccc(nc1)[*:1] Cn1nc(cc1NC(=O)[*:1])C(C)(C)C
COC(=O)/C(C#N)=C1\CCCC[C@@H]1/C(SC)=C(/C#N)C(=O)OC COC(=O)[*:1] COC(=O)/C(C#N)=C(/SC)[C@H]1CCCCC1=C(C#N)[*:1]
COC(=O)/C(C#N)=C1\CCCC[C@@H]1/C(SC)=C(/C#N)C(=O)OC COC(=O)[*:1] COC(=O)/C(C#N)=C1\CCCC[C@@H]1C(SC)=C(C#N)[*:1]
Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCc2cc3n(n2)CCC[NH2+]C3)on1 Cc1cc(on1)[*:1] O=C(CCc1cc2C[NH2+]CCCn2n1)N[C@H]1COC[C@H]1C[*:1]
Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCc2cc3n(n2)CCC[NH2+]C3)on1 Cc1cc(C[*:1])on1 O=C(CCc1cc2C[NH2+]CCCn2n1)N[C@H]1COC[C@H]1[*:1]
Cc1c(C(=O)N(C2CCCC2)C2CC2)sc2nc(C(F)(F)F)ccc12 C1CCC(C1)[*:1] Cc1c(sc2nc(ccc12)C(F)(F)F)C(=O)N(C1CC1)[*:1]
Cc1c(C(=O)N(C2CCCC2)C2CC2)sc2nc(C(F)(F)F)ccc12 C1CC1[*:1] Cc1c(sc2nc(ccc12)C(F)(F)F)C(=O)N(C1CCCC1)[*:1]
Cc1c(C(=O)N(C2CCCC2)C2CC2)sc2nc(C(F)(F)F)ccc12 FC(F)(F)[*:1] Cc1c(sc2nc(ccc12)[*:1])C(=O)N(C1CCCC1)C1CC1
C[C@H](CC#N)N(C)C(=O)CN1CCCOC1=O N#CC[*:1] C[C@H](N(C)C(=O)CN1CCCOC1=O)[*:1]
C[C@H](CC#N)N(C)C(=O)CN1CCCOC1=O C[C@H](CC#N)[*:1] CN(C(=O)CN1CCCOC1=O)[*:1]
O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccc2c(c1)OCCO2 c1cc2CCCc2cc1[*:1] O=C(N[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
CCCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 CCC[*:1] O=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(cc1)[*:1]
CCC1CCC(NC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)CC1 Fc1ccccc1[*:1] CCC1CCC(CC1)NC(=O)N1CCC(CC1)NC(=O)[*:1]
CCC1CCC(NC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)CC1 CCC1CCC(CC1)[*:1] O=C(NC1CCN(CC1)C(=O)N[*:1])c1ccccc1F
CC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2C#N)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)Sc1ccc(cc1C#N)[*:1]
CC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2C#N)cc1 CC(=O)N[*:1] N#Cc1cc(ccc1Sc1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1[nH]nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1C Cc1[nH]nc(C[*:1])c1C O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)C[*:1]
Cc1[nH]nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1C Cc1[nH]nc(c1C)[*:1] O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)CC[*:1]
Cc1[nH]nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1C Cc1[nH]nc(CC[*:1])c1C O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
Cc1[nH]nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1C c1ccc(nc1)[*:1] Cc1[nH]nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C3)C(=O)[*:1])c1C
COc1cc(F)c([N+](=O)[O-])c(NCCCc2nnc3n2CCCCC3)c1 O=[N+]([O-])[*:1] COc1cc(F)c(c(c1)NCCCc1nnc2CCCCCn21)[*:1]
Cc1cccc([C@@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F)[*:1]
Cc1cccc([C@@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 FC(F)(F)c1ccc(cc1)[*:1] Cc1cccc(c1)[C@@H](CNC(=O)[C@H]1C[C@H]1[*:1])N1CCOCC1
Cc1cccc([C@@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 FC(F)(F)[*:1] Cc1cccc(c1)[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)[*:1])N1CCOCC1
Cc1cccc([C@@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])[C@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F
O=C(Nc1ccccc1C[NH+]1CCCC1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1C[NH+]1CCCC1)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
CCOc1cc(C)ccc1NC(=O)Cc1nc(-c2ccccc2)oc1C CCO[*:1] Cc1ccc(NC(=O)Cc2nc(oc2C)-c2ccccc2)c(c1)[*:1]
CCOc1cc(C)ccc1NC(=O)Cc1nc(-c2ccccc2)oc1C c1ccc(cc1)[*:1] CCOc1cc(C)ccc1NC(=O)Cc1nc(oc1C)[*:1]
CCCCS(=O)(=O)[N-]c1cccn2nc(COC)nc12 CCCC[*:1] COCc1nc2c(cccn2n1)[N-]S(=O)(=O)[*:1]
CCCCS(=O)(=O)[N-]c1cccn2nc(COC)nc12 CCC[*:1] COCc1nc2c(cccn2n1)[N-]S(=O)(=O)C[*:1]
CCCCS(=O)(=O)[N-]c1cccn2nc(COC)nc12 COC[*:1] CCCCS(=O)(=O)[N-]c1cccn2nc(nc12)[*:1]
Cc1cc2c(cc1C)[n+](CC(=O)c1cccc([N+](=O)[O-])c1)cn2Cc1ccccc1 O=[N+]([O-])[*:1] Cc1cc2c(cc1C)[n+](cn2Cc1ccccc1)CC(=O)c1cccc(c1)[*:1]
Cc1cc2c(cc1C)[n+](CC(=O)c1cccc([N+](=O)[O-])c1)cn2Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cc2c(cc1C)[n+](cn2C[*:1])CC(=O)c1cccc(c1)[N+](=O)[O-]
Cc1cc2c(cc1C)[n+](CC(=O)c1cccc([N+](=O)[O-])c1)cn2Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc2c(cc1C)[n+](cn2[*:1])CC(=O)c1cccc(c1)[N+](=O)[O-]
Cc1cc2c(cc1C)[n+](CC(=O)c1cccc([N+](=O)[O-])c1)cn2Cc1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1cc2c(cc1C)[n+](cn2Cc1ccccc1)CC(=O)[*:1]
CC[NH2+][C@@H](c1ccsc1)[C@@H]1CCOC2(CCCC2)C1 c1cc(cs1)[*:1] CC[NH2+][C@@H]([C@@H]1CCOC2(CCCC2)C1)[*:1]
C=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C(C)C)c1N CC(C)[*:1] C=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](c1N)[*:1]
C=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C(C)C)c1N C=CC[*:1] Cc1cccn2c(=O)c3cc(C(=O)N[*:1])c(N)[n+](c3nc12)C(C)C
C=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C(C)C)c1N C=CCNC(=O)[*:1] Cc1cccn2c(=O)c3cc(c(N)[n+](c3nc12)C(C)C)[*:1]
COC(=O)c1cc(N[C@H]2CCCS[C@H]2C)ccc1F COC(=O)[*:1] C[C@@H]1SCCC[C@@H]1Nc1ccc(F)c(c1)[*:1]
COCc1nn2cc3c(nc2c1-c1ccc(Cl)cc1)C[C@H](c1cccs1)CC3=O Clc1ccc(cc1)[*:1] COCc1nn2cc3C(=O)C[C@H](Cc3nc2c1[*:1])c1cccs1
COCc1nn2cc3c(nc2c1-c1ccc(Cl)cc1)C[C@H](c1cccs1)CC3=O c1csc(c1)[*:1] COCc1nn2cc3C(=O)C[C@@H](Cc3nc2c1-c1ccc(Cl)cc1)[*:1]
COCc1nn2cc3c(nc2c1-c1ccc(Cl)cc1)C[C@H](c1cccs1)CC3=O COC[*:1] O=C1C[C@H](Cc2nc3c(-c4ccc(Cl)cc4)c(nn3cc21)[*:1])c1cccs1
C[C@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1nnnn1C1CC1 c1ccc(cc1)[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1nnnn1C1CC1
C[C@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1nnnn1C1CC1 C1CC1[*:1] C[C@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1nnnn1[*:1]
C[C@H](CN(C)c1ccccc1)C(N)=S NC(=S)[*:1] C[C@H](CN(C)c1ccccc1)[*:1]
COc1ccc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3C)C2=O)cc1 Cc1cc(F)ccc1[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CCN(C1=O)[*:1]
COc1ccc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3C)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1cc(F)ccc1N1CC[C@@H](C(=O)N[*:1])C1=O
O=C(CN1CCN(c2ccccc2)C1=O)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])N1CCCCCC1
C/C=C(\C)[C@H]1C(C)=C[C@H]2CC[C@@H](OS(=O)(=O)[O-])[C@@H](C)[C@H]2[C@H]1/C=C/C=C/C(=O)[O-] O=S(=O)([O-])O[*:1] C/C=C(\C)[C@H]1C(C)=C[C@H]2CC[C@@H]([C@@H](C)[C@H]2[C@H]1/C=C/C=C/C(=O)[O-])[*:1]
C/C=C(\C)[C@H]1C(C)=C[C@H]2CC[C@@H](OS(=O)(=O)[O-])[C@@H](C)[C@H]2[C@H]1/C=C/C=C/C(=O)[O-] O=C([O-])C=C[*:1] C/C=C(\C)[C@H]1C(C)=C[C@H]2CC[C@@H](OS(=O)(=O)[O-])[C@@H](C)[C@H]2[C@H]1C=C[*:1]
C/C=C(\C)[C@H]1C(C)=C[C@H]2CC[C@@H](OS(=O)(=O)[O-])[C@@H](C)[C@H]2[C@H]1/C=C/C=C/C(=O)[O-] O=C([O-])[*:1] C/C=C(\C)[C@H]1C(C)=C[C@H]2CC[C@@H](OS(=O)(=O)[O-])[C@@H](C)[C@H]2[C@H]1/C=C/C=C[*:1]
C/C=C(\C)[C@H]1C(C)=C[C@H]2CC[C@@H](OS(=O)(=O)[O-])[C@@H](C)[C@H]2[C@H]1/C=C/C=C/C(=O)[O-] CC=C(C)[*:1] CC1=C[C@H]2CC[C@@H](OS(=O)(=O)[O-])[C@@H](C)[C@H]2[C@@H](/C=C/C=C/C(=O)[O-])[C@H]1[*:1]
C/C=C(\C)[C@H]1C(C)=C[C@H]2CC[C@@H](OS(=O)(=O)[O-])[C@@H](C)[C@H]2[C@H]1/C=C/C=C/C(=O)[O-] O=C([O-])/C=C/C=C[*:1] C/C=C(\C)[C@H]1C(C)=C[C@H]2CC[C@@H](OS(=O)(=O)[O-])[C@@H](C)[C@H]2[C@@H]1[*:1]
C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)c1c[nH]c2ccccc12 Clc1ccc(cc1)[*:1] C[C@H](Sc1nc(n[nH]1)[*:1])C(=O)c1c[nH]c2ccccc12
O=C(c1ccc(Br)o1)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(Br)o1)N(CCO)C[*:1]
O=C(c1ccc(Br)o1)N(CCO)Cc1ccccc1 Brc1ccc(o1)[*:1] O=C(N(CCO)Cc1ccccc1)[*:1]
O=C(c1ccc(Br)o1)N(CCO)Cc1ccccc1 OCC[*:1] O=C(c1ccc(Br)o1)N(Cc1ccccc1)[*:1]
COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCCC3)C2)c1 O=[N+]([O-])[*:1] COc1cc(F)c(c(c1)N1CC[C@@H](C1)C[NH+]1CCCCC1)[*:1]
Cc1nc(C)c(-c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)o2)cc1C(=O)NN CN(C)S(=O)(=O)[*:1] Cc1nc(C)c(cc1C(=O)NN)-c1nnc(o1)-c1cccc(c1)[*:1]
Cc1nc(C)c(-c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)o2)cc1C(=O)NN NNC(=O)[*:1] Cc1nc(C)c(cc1-c1nnc(o1)-c1cccc(c1)S(=O)(=O)N(C)C)[*:1]
O=C(Cc1ccc[nH]1)N1CCC(Cc2cccc(F)c2)CC1 c1c[nH]c(c1)[*:1] O=C(C[*:1])N1CCC(CC1)Cc1cccc(F)c1
O=C(Cc1ccc[nH]1)N1CCC(Cc2cccc(F)c2)CC1 c1c[nH]c(c1)C[*:1] O=C(N1CCC(CC1)Cc1cccc(F)c1)[*:1]
O=C(Cc1ccc[nH]1)N1CCC(Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(Cc1ccc[nH]1)N1CCC(CC1)C[*:1]
O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N(Cc1cccs1)C1CC1 C1CC1c1noc(n1)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1cccs1)C1CC1
O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N(Cc1cccs1)C1CC1 c1csc(c1)C[*:1] O=C(c1ccc(cc1)-c1nc(no1)C1CC1)N(C1CC1)[*:1]
O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N(Cc1cccs1)C1CC1 C1CC1[*:1] O=C(c1ccc(cc1)-c1nc(no1)[*:1])N(Cc1cccs1)C1CC1
O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N(Cc1cccs1)C1CC1 C1CC1[*:1] O=C(c1ccc(cc1)-c1nc(no1)C1CC1)N(Cc1cccs1)[*:1]
O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N(Cc1cccs1)C1CC1 c1csc(c1)[*:1] O=C(c1ccc(cc1)-c1nc(no1)C1CC1)N(C[*:1])C1CC1
O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCCc1cccc(Cl)c1 c1csc(c1)[*:1] O=C(C[C@@H]1C(=O)NCCN1C[*:1])NCCc1cccc(Cl)c1
O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NC[*:1]
O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCCc1cccc(Cl)c1 c1csc(c1)C[*:1] O=C(C[C@@H]1C(=O)NCCN1[*:1])NCCc1cccc(Cl)c1
O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCC[*:1]
C#CC[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1 C#CC[*:1] C[C@H](Oc1ccc(Cl)cc1)C(=O)O[C@@H](C)[*:1]
Cc1cc(C)cc(C[C@H](C)NC(=O)NCC[C@@H](O)C(C)C)c1 CC(C)[C@H](O)CC[*:1] Cc1cc(C)cc(c1)C[C@H](C)NC(=O)N[*:1]
Cc1cc(C)cc(C[C@H](C)NC(=O)NCC[C@@H](O)C(C)C)c1 CC(C)[C@H](O)C[*:1] Cc1cc(C)cc(c1)C[C@H](C)NC(=O)NC[*:1]
Cc1cc(C)cc(C[C@H](C)NC(=O)NCC[C@@H](O)C(C)C)c1 CC(C)[*:1] Cc1cc(C)cc(c1)C[C@H](C)NC(=O)NCC[C@@H](O)[*:1]
Cc1cc(C)cc(C[C@H](C)NC(=O)NCC[C@@H](O)C(C)C)c1 CC(C)[C@H](O)[*:1] Cc1cc(C)cc(c1)C[C@H](C)NC(=O)NCC[*:1]
CC(C)(C[NH2+]CCc1cccnc1)C(=O)[O-] O=C([O-])[*:1] CC(C)(C[NH2+]CCc1cccnc1)[*:1]
COc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc(C(F)(F)F)nn32)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] COc1ccc(cc1)[C@@H]1C(=C(C)Nc2nc(nn21)C(F)(F)F)[*:1]
COc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc(C(F)(F)F)nn32)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)Nc2ccc(Cl)cc2)=C(C)Nc2nc(nn21)[*:1]
COc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc(C(F)(F)F)nn32)cc1 COc1ccc(cc1)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)Nc1ccc(Cl)cc1)[*:1])C(F)(F)F
COc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc(C(F)(F)F)nn32)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)N[*:1])=C(C)Nc2nc(nn21)C(F)(F)F
C=CCS(=O)(=O)N1C[C@H]2C[NH2+]C[C@@H]2[C@@H]1CC C=CC[*:1] CC[C@H]1[C@H]2C[NH2+]C[C@@H]2CN1S(=O)(=O)[*:1]
C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CCc1cccs1 Brc1csc(c1)[*:1] C[C@H]([NH3+])[C@@H](N(C)CCc1cccs1)[*:1]
C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CCc1cccs1 c1csc(c1)[*:1] C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CC[*:1]
C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CCc1cccs1 c1csc(c1)C[*:1] C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)C[*:1]
CNC(=O)C1CC[NH+](CCCNC(=O)C2CCCC2)CC1 C1CCC(C1)[*:1] CNC(=O)C1CC[NH+](CCCNC(=O)[*:1])CC1
CNC(=O)C1CC[NH+](CCCNC(=O)C2CCCC2)CC1 CNC(=O)[*:1] O=C(NCCC[NH+]1CCC(CC1)[*:1])C1CCCC1
CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC CCS[*:1] CCn1c(nc2c1c(=O)[nH]c(=O)n2C)[*:1]
N#Cc1ccccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] N#Cc1ccccc1N1CCN(CC1)Cc1ccc(cc1)[*:1]
N#Cc1ccccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 N#Cc1ccccc1[*:1] O=[N+]([O-])c1ccc(cc1)CN1CCN(CC1)[*:1]
CC[C@H](C)c1ccccc1OC(=O)Cc1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@H](C)c1ccccc1OC(=O)C[*:1]
CC[C@H](C)c1ccccc1OC(=O)Cc1c(C)noc1C CC[C@H](C)[*:1] Cc1noc(C)c1CC(=O)Oc1ccccc1[*:1]
CO[C@H](C)[C@H](Br)C(=O)[O-] O=C([O-])[*:1] CO[C@H](C)[C@H](Br)[*:1]
Cc1ccc2[nH]nc(C(=O)OC[C@H](C#N)Cc3cccs3)c2c1 c1csc(c1)[*:1] Cc1ccc2[nH]nc(C(=O)OC[C@H](C#N)C[*:1])c2c1
Cc1ccc2[nH]nc(C(=O)OC[C@H](C#N)Cc3cccs3)c2c1 c1csc(c1)C[*:1] Cc1ccc2[nH]nc(C(=O)OC[C@H](C#N)[*:1])c2c1
CCOC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 CCOC(=O)[*:1] COc1ccc(cc1-c1ccc(C=C(C#N)[*:1])o1)[N+](=O)[O-]
CCOC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 O=[N+]([O-])[*:1] CCOC(=O)/C(C#N)=C/c1ccc(o1)-c1cc(ccc1OC)[*:1]
O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)N1CCc2ccccc21 O=C(N1CCc2ccccc21)[*:1] O=C1c2ccccc2S(=O)(=O)c2ccc(cc2N1Cc1ccccc1)[*:1]
O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)N1CCc2ccccc21 c1ccc(cc1)C[*:1] O=C(c1ccc2c(c1)N(C(=O)c1ccccc1S2(=O)=O)[*:1])N1CCc2ccccc21
O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)N1CCc2ccccc21 c1ccc(cc1)[*:1] O=C(c1ccc2c(c1)N(C[*:1])C(=O)c1ccccc1S2(=O)=O)N1CCc2ccccc21
CNC(=O)c1cc(OC)ccc1NC(=O)C[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CNC(=O)c1cc(ccc1NC(=O)C[*:1])OC
CNC(=O)c1cc(OC)ccc1NC(=O)C[C@@H](C)C(C)C CC(C)[*:1] CNC(=O)c1cc(ccc1NC(=O)C[C@@H](C)[*:1])OC
CNC(=O)c1cc(OC)ccc1NC(=O)C[C@@H](C)C(C)C CNC(=O)[*:1] COc1ccc(NC(=O)C[C@@H](C)C(C)C)c(c1)[*:1]
CNC(=O)c1cc(OC)ccc1NC(=O)C[C@@H](C)C(C)C CC(C)[C@H](C)C[*:1] CNC(=O)c1cc(ccc1NC(=O)[*:1])OC
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@@H]1CCCO1 Clc1ccc(s1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CCCO1
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)s1)[*:1]
CC(C)Cn1cc(NC(=O)c2ccccc2C(=O)c2ccccc2)cn1 O=C(c1ccccc1)[*:1] CC(C)Cn1cc(cn1)NC(=O)c1ccccc1[*:1]
CC(C)Cn1cc(NC(=O)c2ccccc2C(=O)c2ccccc2)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)C[*:1])c1ccccc1C(=O)c1ccccc1
CC(C)Cn1cc(NC(=O)c2ccccc2C(=O)c2ccccc2)cn1 CC(C)C[*:1] O=C(Nc1cnn(c1)[*:1])c1ccccc1C(=O)c1ccccc1
CC(C)Cn1cc(NC(=O)c2ccccc2C(=O)c2ccccc2)cn1 c1ccc(cc1)[*:1] CC(C)Cn1cc(cn1)NC(=O)c1ccccc1C(=O)[*:1]
Cc1c(C(=O)O[C@@H](C)[C@H]2CCOC2)nnn1-c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] Cc1c(nnn1[*:1])C(=O)O[C@@H](C)[C@H]1CCOC1
COc1cc(Cl)c(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)cc1OC c1coc(c1)[*:1] COc1cc(Cl)c(cc1OC)NC(=O)[C@H]1CCCN1C(=O)[*:1]
CN1C[C@H](C(=O)NC[C@H]2CCC(C)(C)c3ccccc32)CC1=O CN1C[C@H](CC1=O)[*:1] CC1(C)CC[C@H](CNC(=O)[*:1])c2ccccc21
O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1cc(=O)[nH]c2ccccc12 c1cnc(nc1)[*:1] O=C(NC[C@H]1CCCN(C1)[*:1])c1cc(=O)[nH]c2ccccc12
O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCc2ccccc2C1 Brc1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)S(=O)(=O)[*:1])N1CCc2ccccc2C1
C[C@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)[C@@H]1CCN(C1=O)c1ccc(Cl)cc1)[*:1]
C[C@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccsc1 Clc1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@@H]1CCN(C1=O)[*:1])c1ccsc1
C[C@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccsc1 C[C@H](c1ccsc1)[*:1] O=C(NC[*:1])[C@@H]1CCN(C1=O)c1ccc(Cl)cc1
C[C@H](CNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccsc1 C[C@H](C[*:1])c1ccsc1 O=C(N[*:1])[C@@H]1CCN(C1=O)c1ccc(Cl)cc1
C[C@@H]1CCC[C@@]([NH3+])([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 CS(=O)(=O)[*:1] C[C@@H]1CCC[C@]([NH3+])(CC1)[C@@H]1CCC[C@H](C1)[*:1]
COC(=O)Cc1ccccc1NC(=O)c1ccc(C#N)cn1 COC(=O)[*:1] N#Cc1ccc(nc1)C(=O)Nc1ccccc1C[*:1]
COC(=O)Cc1ccccc1NC(=O)c1ccc(C#N)cn1 COC(=O)C[*:1] N#Cc1ccc(nc1)C(=O)Nc1ccccc1[*:1]
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)cn1 CCOC(=O)[*:1] Cc1cc(c(Cl)cc1F)S(=O)(=O)[N-]c1ccc(nc1)[*:1]
CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)NCc3cc(F)ccc3F)c21 O=S(=O)(N[*:1])c1ccccc1 CCn1c(C)nc2cc(cc(C(=O)NCc3cc(F)ccc3F)c21)[*:1]
CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)NCc3cc(F)ccc3F)c21 c1ccc(cc1)[*:1] CCn1c(C)nc2cc(cc(C(=O)NCc3cc(F)ccc3F)c21)NS(=O)(=O)[*:1]
CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)NCc3cc(F)ccc3F)c21 Fc1ccc(F)c(c1)[*:1] CCn1c(C)nc2cc(cc(C(=O)NC[*:1])c21)NS(=O)(=O)c1ccccc1
CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)NCc3cc(F)ccc3F)c21 Fc1ccc(F)c(c1)C[*:1] CCn1c(C)nc2cc(cc(C(=O)N[*:1])c21)NS(=O)(=O)c1ccccc1
C[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[NH+](CC(=O)Nc1cccc(c1)S(N)(=O)=O)C[*:1]
C[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(F)c(F)c1 NS(=O)(=O)[*:1] C[NH+](CC(=O)Nc1cccc(c1)[*:1])Cc1ccc(F)c(F)c1
CC(C)[C@@H](Sc1nnnn1C(C)C)C(=O)NC(C)(C)C CC(C)[*:1] CC(C)n1nnnc1S[C@@H](C(=O)NC(C)(C)C)[*:1]
CC(C)[C@@H](Sc1nnnn1C(C)C)C(=O)NC(C)(C)C CC(C)[*:1] CC(C)[C@@H](Sc1nnnn1[*:1])C(=O)NC(C)(C)C
CC(C)[C@@H](Sc1nnnn1C(C)C)C(=O)NC(C)(C)C CC(C)(C)[*:1] CC(C)[C@@H](Sc1nnnn1C(C)C)C(=O)N[*:1]
Cc1cccc(NC(=O)NCc2cnn(-c3ccccc3)c2)c1 Cc1cccc(c1)[*:1] O=C(NCc1cnn(c1)-c1ccccc1)N[*:1]
Cc1cccc(NC(=O)NCc2cnn(-c3ccccc3)c2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)NCc1cnn(c1)[*:1]
N#CC1=C(N)N2C(=C(C#N)[C@@]13C(=O)N(Cc1ccc(Cl)cc1)c1ccccc13)Sc1ccccc12 Clc1ccc(cc1)[*:1] N#CC1=C(N)N2C(Sc3ccccc32)=C(C#N)[C@@]12C(=O)N(C[*:1])c1ccccc12
N#CC1=C(N)N2C(=C(C#N)[C@@]13C(=O)N(Cc1ccc(Cl)cc1)c1ccccc13)Sc1ccccc12 Clc1ccc(cc1)C[*:1] N#CC1=C(N)N2C(Sc3ccccc32)=C(C#N)[C@@]12C(=O)N(c1ccccc12)[*:1]
C=C(C)CN(CC)C(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1 C=C(C)C[*:1] CCN(C(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1)[*:1]
C=C(C)CN(CC)C(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1 C=C(C)CN(CC)C(=O)[*:1] Cc1cc(C)n2nc(nc2n1)SCc1ccccc1[*:1]
C=C(C)CN(CC)C(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1 C=C(C)[*:1] CCN(C[*:1])C(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1
O=C(NC[C@@H](O)c1ccc(Cl)cc1)C(=O)Nc1cccnc1 Clc1ccc(cc1)[*:1] O=C(NC[C@@H](O)[*:1])C(=O)Nc1cccnc1
O=C(NC[C@@H](O)c1ccc(Cl)cc1)C(=O)Nc1cccnc1 c1cncc(c1)[*:1] O=C(NC[C@@H](O)c1ccc(Cl)cc1)C(=O)N[*:1]
O=C(NC1=NCCS1)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 Brc1ccc(s1)[*:1] O=C(NC1=NCCS1)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
[NH3+][C@H]1C=C[C@@H](C(=O)NC2COC2)C1 C1OCC1[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)N[*:1]
COc1ccc(Cl)cc1CN(C)C(=O)N[C@@H](C)CCSC CSCC[*:1] COc1ccc(Cl)cc1CN(C)C(=O)N[C@@H](C)[*:1]
COc1ccc(Cl)cc1CN(C)C(=O)N[C@@H](C)CCSC CSC[*:1] COc1ccc(Cl)cc1CN(C)C(=O)N[C@@H](C)C[*:1]
CCOC(=O)C#CC(OCC)OCC CCO[*:1] CCOC(=O)C#CC(OCC)[*:1]
CON1C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] CON1C(=O)C(=O)N(Cc2ccc(cc2)[*:1])C1=O
O=C(NC[C@@]1(O)CCSC1)C1(Sc2ccccc2)CCCC1 c1ccc(cc1)[*:1] O=C(NC[C@@]1(O)CCSC1)C1(CCCC1)S[*:1]
O=C(NC[C@@]1(O)CCSC1)C1(Sc2ccccc2)CCCC1 c1ccc(cc1)S[*:1] O=C(NC[C@@]1(O)CCSC1)C1(CCCC1)[*:1]
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCC(=O)Nc1ccncc1 O=C(C[*:1])Nc1ccncc1 O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[*:1]
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCC(=O)Nc1ccncc1 O=C(Nc1ccncc1)[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[*:1]
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCC(=O)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCC(=O)N[*:1]
O=C(N[C@H]1CCCCNC1=O)c1ccc(N2CCC([NH2+]Cc3cnn(-c4ccccc4)n3)CC2)cc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCCCNC1=O)c1ccc(cc1)N1CCC(CC1)[NH2+]Cc1cnn(n1)[*:1]
O=C(N[C@H]1CCCCNC1=O)c1ccc(N2CCC([NH2+]Cc3cnn(-c4ccccc4)n3)CC2)cc1 O=C1NCCCC[C@@H]1NC(=O)[*:1] c1ccc(cc1)-n1ncc(C[NH2+]C2CCN(CC2)c2ccc(cc2)[*:1])n1
O=C(N[C@H]1CCCCNC1=O)c1ccc(N2CCC([NH2+]Cc3cnn(-c4ccccc4)n3)CC2)cc1 c1ccc(cc1)-n1ncc(n1)[*:1] O=C(N[C@H]1CCCCNC1=O)c1ccc(cc1)N1CCC(CC1)[NH2+]C[*:1]
Cc1ccccc1NC(=S)NNC(=O)c1ccccc1F Cc1ccccc1[*:1] O=C(NNC(=S)N[*:1])c1ccccc1F
Cc1ccccc1NC(=S)NNC(=O)c1ccccc1F Fc1ccccc1[*:1] Cc1ccccc1NC(=S)NNC(=O)[*:1]
Cc1cc(=O)oc2cc(OCC(=O)OCc3nc4ccccc4s3)ccc12 c1ccc2sc(nc2c1)[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)OC[*:1]
C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1cccs1 c1csc(c1)[*:1] C[C@H](C[C@@H](O)c1ccccc1)NC(=O)C[*:1]
C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1cccs1 c1ccc(cc1)[*:1] C[C@H](C[C@@H](O)[*:1])NC(=O)Cc1cccs1
C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](C[C@@H](O)c1ccccc1)NC(=O)[*:1]
C/[NH+]=C(\NCc1ccc(Br)cc1F)NC[C@@H](C)C#N C[C@@H](C#N)[*:1] C/[NH+]=C(\NCc1ccc(Br)cc1F)NC[*:1]
C/[NH+]=C(\NCc1ccc(Br)cc1F)NC[C@@H](C)C#N C[C@@H](C#N)C[*:1] C/[NH+]=C(\NCc1ccc(Br)cc1F)N[*:1]
S=C1N(c2ccccc2)CN(CCN2CCOCC2)CN1c1ccccc1 C1CN(CCO1)C[*:1] S=C1N(CN(CN1c1ccccc1)C[*:1])c1ccccc1
S=C1N(c2ccccc2)CN(CCN2CCOCC2)CN1c1ccccc1 C1CN(CCO1)CC[*:1] S=C1N(CN(CN1c1ccccc1)[*:1])c1ccccc1
S=C1N(c2ccccc2)CN(CCN2CCOCC2)CN1c1ccccc1 C1CN(CCO1)[*:1] S=C1N(CN(CC[*:1])CN1c1ccccc1)c1ccccc1
S=C1N(c2ccccc2)CN(CCN2CCOCC2)CN1c1ccccc1 c1ccc(cc1)[*:1] S=C1N(CN(CCN2CCOCC2)CN1[*:1])c1ccccc1
COC(=O)[C@H]1CN(C(=O)c2cccc(OC(F)F)c2)c2ccccc2O1 COC(=O)[*:1] O=C(c1cccc(c1)OC(F)F)N1C[C@@H](Oc2ccccc21)[*:1]
COC(=O)[C@H]1CN(C(=O)c2cccc(OC(F)F)c2)c2ccccc2O1 FC(F)O[*:1] COC(=O)[C@H]1CN(C(=O)c2cccc(c2)[*:1])c2ccccc2O1
COC(=O)[C@H]1CN(C(=O)c2cccc(OC(F)F)c2)c2ccccc2O1 FC(F)[*:1] COC(=O)[C@H]1CN(C(=O)c2cccc(c2)O[*:1])c2ccccc2O1
Cc1cc(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)on1 Cc1cc(on1)[*:1] O=C(COC(=O)[*:1])N[C@@H](c1ccc(F)cc1)c1cccs1
Cc1cc(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)on1 Fc1ccc(cc1)[*:1] Cc1cc(on1)C(=O)OCC(=O)N[C@@H](c1cccs1)[*:1]
Cc1cc(C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)on1 c1csc(c1)[*:1] Cc1cc(on1)C(=O)OCC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@@H]1C(N)=O c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCOC[C@@H]1C(N)=O
C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@@H]1C(N)=O NC(=O)[*:1] C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@H]1[*:1]
CCC(CC)[C@H](CNC(=O)c1cnc2sc(C)cn2c1=O)[NH+]1CCCC1 CCC(CC)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)Cc1cccs1 c1csc(c1)C[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)Cc1cccs1 CC(C)[*:1] O=C(Cc1cccs1)NCCn1c(n[nH]c1=S)[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)Cc1cccs1 c1csc(c1)[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)C[*:1]
C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(I)cc3)c2)CC1 Ic1ccc(cc1)[*:1] C[NH+]1CCN(CC1)Cc1cccc(c1)NC(=O)[*:1]
CSc1cc(C(=O)NCCCC2CCCC2)ccn1 C1CCC(C1)C[*:1] CSc1cc(ccn1)C(=O)NCC[*:1]
CSc1cc(C(=O)NCCCC2CCCC2)ccn1 C1CCC(C1)[*:1] CSc1cc(ccn1)C(=O)NCCC[*:1]
O=C(NC[C@@H]1CCCO1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])C(=O)Nc1cc2CCC(=O)N3CCc(c1)c23
O=C(NC[C@@H]1CCCO1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 C1CO[C@@H](C1)C[*:1] O=C(Nc1cc2CCC(=O)N3CCc(c1)c23)C(=O)N[*:1]
CCCc1cc(NC(=O)NCC2CCC(C(N)=O)CC2)n(C)n1 NC(=O)[*:1] CCCc1cc(NC(=O)NCC2CCC(CC2)[*:1])n(C)n1
CCCc1cc(NC(=O)NCC2CCC(C(N)=O)CC2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)NCC1CCC(CC1)C(N)=O)[*:1]
O=C(CS(=O)(=O)c1ccc(O)cc1)N1CCCc2ccccc21 Oc1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])N1CCCc2ccccc21
C[C@@H](NC(=O)c1ccccc1F)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@@H](NC(=O)c1ccccc1F)c1cccc(c1)[*:1]
C[C@@H](NC(=O)c1ccccc1F)c1cccc(-n2cccn2)c1 Fc1ccccc1[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)-n1cccn1
Cc1noc(CCNC(=O)C(=O)Nc2ccccc2N2CCCCC2)n1 Cc1noc(CC[*:1])n1 O=C(Nc1ccccc1N1CCCCC1)C(=O)N[*:1]
Cc1noc(CCNC(=O)C(=O)Nc2ccccc2N2CCCCC2)n1 C1CCN(CC1)[*:1] Cc1noc(CCNC(=O)C(=O)Nc2ccccc2[*:1])n1
Cc1noc(CCNC(=O)C(=O)Nc2ccccc2N2CCCCC2)n1 Cc1noc(n1)[*:1] O=C(NCC[*:1])C(=O)Nc1ccccc1N1CCCCC1
Cc1noc(CCNC(=O)C(=O)Nc2ccccc2N2CCCCC2)n1 Cc1noc(C[*:1])n1 O=C(NC[*:1])C(=O)Nc1ccccc1N1CCCCC1
N#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)CCN1CCN(CC1)S(=O)(=O)C[*:1]
N#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] N#Cc1ccc(cc1)NC(=O)CCN1CCN(CC1)S(=O)(=O)[*:1]
N#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CCN1CCN(CC1)S(=O)(=O)Cc1ccccc1)N[*:1]
O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COC(=O)c1ccccc1Cc1ccccc1)N[*:1]
O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(COC(=O)c1ccccc1[*:1])Nc1ccc(F)cc1
O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(COC(=O)c1ccccc1C[*:1])Nc1ccc(F)cc1
O=C1CCc2cc(NC(=O)NCCCN3CCCCCC3=O)ccc2N1 O=C1CCCCCN1[*:1] O=C1CCc2cc(ccc2N1)NC(=O)NCCC[*:1]
CNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)cc1 CC(C)O[*:1] CNC(=O)c1ccc(cc1)C[NH2+][C@H](C)c1cccc(c1)[*:1]
CNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)cc1 CC(C)[*:1] CNC(=O)c1ccc(cc1)C[NH2+][C@H](C)c1cccc(c1)O[*:1]
CNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)cc1 CNC(=O)[*:1] CC(C)Oc1cccc(c1)[C@@H](C)[NH2+]Cc1ccc(cc1)[*:1]
C[C@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)COc3ccccc3)ccc2OCC1=O c1ccc(cc1)O[*:1] C[C@H](c1ccc(F)cc1)N1Cc2cc(ccc2OCC1=O)NC(=O)C[*:1]
C[C@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)COc3ccccc3)ccc2OCC1=O c1ccc(cc1)[*:1] C[C@H](c1ccc(F)cc1)N1Cc2cc(ccc2OCC1=O)NC(=O)CO[*:1]
C[C@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)COc3ccccc3)ccc2OCC1=O Fc1ccc(cc1)[*:1] C[C@H](N1Cc2cc(ccc2OCC1=O)NC(=O)COc1ccccc1)[*:1]
C[C@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)COc3ccccc3)ccc2OCC1=O c1ccc(cc1)OC[*:1] C[C@H](c1ccc(F)cc1)N1Cc2cc(ccc2OCC1=O)NC(=O)[*:1]
CCOC(=O)ON1C(=O)c2ccccc2N[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)ON1C(=O)c2ccccc2N[C@H]1c1cccc(c1)[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)c2ccc(NC(=O)C(C)C)cc2)o1 CC(C)[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)c2ccc(NC(=O)C(C)C)cc2)o1 Cc1ccc(o1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)N1CCSC[C@@H]1[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)c2ccc(NC(=O)C(C)C)cc2)o1 CC(C)C(=O)N[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)c1ccc(cc1)[*:1]
CCC[NH+]1CCC(N(C)Cc2c[nH]nc2-c2cccs2)CC1 c1csc(c1)[*:1] CCC[NH+]1CCC(CC1)N(C)Cc1c[nH]nc1[*:1]
CCC[NH+]1CCC(N(C)Cc2c[nH]nc2-c2cccs2)CC1 CCC[*:1] CN(Cc1c[nH]nc1-c1cccs1)C1CC[NH+](CC1)[*:1]
COCCCC(=O)N[C@H](C(N)=S)C1CCCCC1 C1CCC(CC1)[*:1] COCCCC(=O)N[C@H](C(N)=S)[*:1]
COCCCC(=O)N[C@H](C(N)=S)C1CCCCC1 COC[*:1] NC(=S)[C@@H](NC(=O)CC[*:1])C1CCCCC1
COCCCC(=O)N[C@H](C(N)=S)C1CCCCC1 COCC[*:1] NC(=S)[C@@H](NC(=O)C[*:1])C1CCCCC1
COCCCC(=O)N[C@H](C(N)=S)C1CCCCC1 COCCC[*:1] NC(=S)[C@@H](NC(=O)[*:1])C1CCCCC1
COCCCC(=O)N[C@H](C(N)=S)C1CCCCC1 NC(=S)[*:1] COCCCC(=O)N[C@H](C1CCCCC1)[*:1]
CCn1cc([C@H](NC(=O)CCC[NH3+])c2ccc(F)cc2)c2cc[nH+]cc21 Fc1ccc(cc1)[*:1] CCn1cc(c2cc[nH+]cc21)[C@H](NC(=O)CCC[NH3+])[*:1]
CCn1cc([C@H](NC(=O)CCC[NH3+])c2ccc(F)cc2)c2cc[nH+]cc21 [NH3+]CC[*:1] CCn1cc(c2cc[nH+]cc21)[C@H](NC(=O)C[*:1])c1ccc(F)cc1
CCn1cc([C@H](NC(=O)CCC[NH3+])c2ccc(F)cc2)c2cc[nH+]cc21 [NH3+]CCC[*:1] CCn1cc(c2cc[nH+]cc21)[C@H](NC(=O)[*:1])c1ccc(F)cc1
CCn1cc([C@H](NC(=O)CCC[NH3+])c2ccc(F)cc2)c2cc[nH+]cc21 [NH3+]CCCC(=O)N[*:1] CCn1cc(c2cc[nH+]cc21)[C@H](c1ccc(F)cc1)[*:1]
CC[C@](C)(NCC(=O)OC)c1nccs1 COC(=O)C[*:1] CC[C@](C)(N[*:1])c1nccs1
CC[C@](C)(NCC(=O)OC)c1nccs1 c1csc(n1)[*:1] CC[C@](C)(NCC(=O)OC)[*:1]
CC[C@](C)(NCC(=O)OC)c1nccs1 COC(=O)[*:1] CC[C@](C)(NC[*:1])c1nccs1
O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1ccc(cc1)-c1csc2ncnc(SC[*:1])c12
O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CSc1ncnc2scc(c12)[*:1])N1CCOCC1
CCc1ccccc1Nc1nc(N)nc(C[NH+](C)C2CCCCC2)n1 CCc1ccccc1[*:1] C[NH+](Cc1nc(N)nc(n1)N[*:1])C1CCCCC1
CCc1ccccc1Nc1nc(N)nc(C[NH+](C)C2CCCCC2)n1 C1CCC(CC1)[*:1] CCc1ccccc1Nc1nc(N)nc(C[NH+](C)[*:1])n1
O=C(NC1CCCCC1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 O=C(NC1CCCCC1)[*:1] Clc1ccccc1-n1nnc(c1-c1cccnc1)[*:1]
O=C(NC1CCCCC1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 Clc1ccccc1[*:1] O=C(NC1CCCCC1)c1nnn(c1-c1cccnc1)[*:1]
O=C(NC1CCCCC1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 c1cncc(c1)[*:1] O=C(NC1CCCCC1)c1nnn(-c2ccccc2Cl)c1[*:1]
O=C(NC1CCCCC1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 C1CCC(CC1)[*:1] O=C(N[*:1])c1nnn(-c2ccccc2Cl)c1-c1cccnc1
CCOC(=O)c1cc(NC(=O)Nc2cccc3ccccc23)c[nH]1 CCOC(=O)[*:1] O=C(Nc1c[nH]c(c1)[*:1])Nc1cccc2ccccc12
C[NH+]1CCC(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)NC(=O)CN(c1ccc(cc1)O[*:1])S(C)(=O)=O
C[NH+]1CCC(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 c1ccc(cc1)O[*:1] C[NH+]1CCC(CC1)NC(=O)CN(c1ccc(cc1)[*:1])S(C)(=O)=O
C[C@@H]1CCCN(C(=O)CN(Cc2cccnc2)C[C@@H]2CCCO2)C1 c1cncc(c1)C[*:1] C[C@@H]1CCCN(C1)C(=O)CN(C[C@@H]1CCCO1)[*:1]
C[C@@H]1CCCN(C(=O)CN(Cc2cccnc2)C[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] C[C@@H]1CCCN(C1)C(=O)CN(Cc1cccnc1)C[*:1]
C[C@@H]1CCCN(C(=O)CN(Cc2cccnc2)C[C@@H]2CCCO2)C1 c1cncc(c1)[*:1] C[C@@H]1CCCN(C1)C(=O)CN(C[C@@H]1CCCO1)C[*:1]
C[C@@H]1CCCN(C(=O)CN(Cc2cccnc2)C[C@@H]2CCCO2)C1 C1CO[C@@H](C1)C[*:1] C[C@@H]1CCCN(C1)C(=O)CN(Cc1cccnc1)[*:1]
COc1ccc(C(=O)N(C[C@@H]2CCCO2)C[C@H]2CN(C(=O)c3cccs3)CCO2)cc1 C1CO[C@@H](C1)C[*:1] COc1ccc(cc1)C(=O)N(C[C@H]1CN(CCO1)C(=O)c1cccs1)[*:1]
COc1ccc(C(=O)N(C[C@@H]2CCCO2)C[C@H]2CN(C(=O)c3cccs3)CCO2)cc1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1)C(=O)N(C[C@H]1CN(CCO1)C(=O)c1cccs1)C[*:1]
COc1ccc(C(=O)N(C[C@@H]2CCCO2)C[C@H]2CN(C(=O)c3cccs3)CCO2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)C(=O)N(C[C@@H]1CCCO1)C[C@H]1CN(CCO1)C(=O)[*:1]
COc1ccc(C(=O)N(C[C@@H]2CCCO2)C[C@H]2CN(C(=O)c3cccs3)CCO2)cc1 COc1ccc(cc1)[*:1] O=C(c1cccs1)N1CCO[C@H](C1)CN(C[C@@H]1CCCO1)C(=O)[*:1]
COc1cc(OC)c(NC(=O)CSc2ccccc2C)cc1F Cc1ccccc1[*:1] COc1cc(OC)c(cc1F)NC(=O)CS[*:1]
C[C@H](NCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NCC(=O)NC(c1ccccc1)[*:1])c1ccccc1
C[C@H](NCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NCC(=O)NC(c1ccccc1)c1ccccc1)[*:1]
C[C@H](NCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CN[*:1])NC(c1ccccc1)c1ccccc1
CC[C@H](C)[C@H](C)NC(=O)NCc1ncn(C)n1 CC[C@H](C)[*:1] C[C@H](NC(=O)NCc1ncn(C)n1)[*:1]
O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)Nc1cccnc1-n1cccn1 c1cnn(c1)[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)Nc1cccnc1[*:1]
Cc1nn(C(=O)c2cc3ccccc3oc2=O)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C(=O)c2cc3ccccc3oc2=O)c(C)c1[*:1]
C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(CC(=O)N[C@@](C)(C#N)[*:1])C1=O)c1ccc2CCCc2c1
C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O c1cc2CCCc2cc1[*:1] C[C@]1(NC(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O)[*:1]
COC(C)(C)CNC(=O)NCc1nccn1Cc1ccccc1 COC(C)(C)[*:1] O=C(NCc1nccn1Cc1ccccc1)NC[*:1]
COC(C)(C)CNC(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] COC(C)(C)CNC(=O)NCc1nccn1[*:1]
COC(C)(C)CNC(=O)NCc1nccn1Cc1ccccc1 COC(C)(C)C[*:1] O=C(NCc1nccn1Cc1ccccc1)N[*:1]
COC(C)(C)CNC(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] COC(C)(C)CNC(=O)NCc1nccn1C[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccccc1)SCC(O)=N2 c1ccc(cc1)[*:1] Cc1nn(c2N=C(O)CS[C@H](c12)[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1ccccc1)SCC(O)=N2 O=S1(=O)CC[C@@H](C1)[*:1] Cc1nn(c2N=C(O)CS[C@H](c3ccccc3)c12)[*:1]
O=C(CCNc1ncccn1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(CCNc1ncccn1)Nc1ccc(cc1)[*:1]
O=C(CCNc1ncccn1)Nc1ccc(OC(F)(F)F)cc1 c1cnc(nc1)[*:1] O=C(CCN[*:1])Nc1ccc(cc1)OC(F)(F)F
O=C(CCNc1ncccn1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CCNc1ncccn1)Nc1ccc(cc1)O[*:1]
O=C(CCNc1ncccn1)Nc1ccc(OC(F)(F)F)cc1 c1cnc(nc1)N[*:1] O=C(CC[*:1])Nc1ccc(cc1)OC(F)(F)F
CN(C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1)C1CCOCC1 Clc1ccccc1[*:1] CN(C(=O)N[C@@H]1CCCN(C1)[*:1])C1CCOCC1
CN(C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)N[C@@H]1CCCN(C1)c1ccccc1Cl)[*:1]
N#CC1=C(N)OC(c2ccccc2)=C(n2nnnc2N)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] N#CC1=C(N)OC(=C([C@H]1[*:1])n1nnnc1N)c1ccccc1
N#CC1=C(N)OC(c2ccccc2)=C(n2nnnc2N)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] N#CC1=C(N)OC(=C([C@@H]1c1ccccc1)n1nnnc1N)[*:1]
Cn1ncnc1CCNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 Cn1ncnc1C[*:1] O=C(NC[*:1])[C@@H]1C[C@H]1c1ccc(cc1)OC(F)(F)F
Cn1ncnc1CCNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 Cn1ncnc1[*:1] O=C(NCC[*:1])[C@@H]1C[C@H]1c1ccc(cc1)OC(F)(F)F
Cn1ncnc1CCNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] Cn1ncnc1CCNC(=O)[C@@H]1C[C@H]1c1ccc(cc1)[*:1]
Cn1ncnc1CCNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 Cn1ncnc1CC[*:1] O=C(N[*:1])[C@@H]1C[C@H]1c1ccc(cc1)OC(F)(F)F
Cn1ncnc1CCNC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] Cn1ncnc1CCNC(=O)[C@@H]1C[C@H]1c1ccc(cc1)O[*:1]
Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1NC(=O)C1=CSCCO1 NC(=O)[*:1] Cc1ccc(cc1NC(=O)C1=CSCCO1)C(=O)N1CCC(CC1)[*:1]
Cc1cccc(Cl)c1NCC(=O)NC(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1cccc(Cl)c1NCC(=O)NC(=O)N[*:1]
CNS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCCO3)ccc1OC CNS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)NCc1ccc2OCCOc2c1
CO/N=C\[C@@H](C#N)c1ccc([C@H](C#N)/C=N\OC)nn1 CON=C[*:1] CO/N=C\[C@@H](C#N)c1ccc(nn1)[C@H](C#N)[*:1]
COC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)C(N)=O COC[*:1] COc1ccc(cc1)-c1cc(sc1C)C(=O)N[C@H](C(N)=O)[*:1]
COC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)c1cc(-c2ccc(cc2)OC)c(C)s1)[*:1]
COC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)C(N)=O COc1ccc(cc1)[*:1] COC[C@H](NC(=O)c1cc(c(C)s1)[*:1])C(N)=O
CCOC(=O)C[C@](C)([NH3+])c1ccc(F)cc1 CCOC(=O)[*:1] C[C@]([NH3+])(C[*:1])c1ccc(F)cc1
CCn1c(=O)n(CCC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c2ccccc21 COc1ccc(cc1OC)[*:1] CCn1c(=O)n(CCC(=O)N2CCC[C@H]2[*:1])c2ccccc21
Cc1ccc(CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])s1 Cc1ccc(s1)[*:1] CC(C)C[C@H](CNC(=O)NC[*:1])C(=O)[O-]
Cc1ccc(CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])s1 O=C([O-])[*:1] Cc1ccc(CNC(=O)NC[C@@H](CC(C)C)[*:1])s1
Cc1ccc(CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])s1 CC(C)[*:1] Cc1ccc(CNC(=O)NC[C@@H](C[*:1])C(=O)[O-])s1
Cc1ccc(CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])s1 CC(C)C[*:1] Cc1ccc(CNC(=O)NC[C@@H](C(=O)[O-])[*:1])s1
CCN(CC)C(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 CCN(CC)C(=O)[*:1] CC1(C)CS(=O)(=O)N(C1=O)c1ccc(cc1)[*:1]
Cc1cccc(Cn2nccc2NS(=O)(=O)c2ccc(C#N)cc2C)c1 Cc1cccc(c1)C[*:1] Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccnn1[*:1]
Cc1cccc(Cn2nccc2NS(=O)(=O)c2ccc(C#N)cc2C)c1 Cc1cccc(c1)[*:1] Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccnn1C[*:1]
COc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccc3nccnc3c2)cc1 c1cnc2cc(ccc2n1)[*:1] COc1ccc(cc1)C(=O)N1N=C(C[C@H]1[*:1])c1ccco1
COc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccc3nccnc3c2)cc1 COc1ccc(cc1)[*:1] O=C(N1N=C(C[C@@H]1c1ccc2nccnc2c1)c1ccco1)[*:1]
COc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccc3nccnc3c2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C(=O)N1N=C(C[C@@H]1c1ccc2nccnc2c1)[*:1]
Nc1nc(N2CC(C(=O)[O-])C2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(ccc1[*:1])N1CC(C1)C(=O)[O-]
Nc1nc(N2CC(C(=O)[O-])C2)ccc1[N+](=O)[O-] O=C([O-])[*:1] Nc1nc(ccc1[N+](=O)[O-])N1CC(C1)[*:1]
CC(C)CC(C)(C)C(=O)N(C)CCNS(C)(=O)=O CC(C)[*:1] CN(CCNS(C)(=O)=O)C(=O)C(C)(C)C[*:1]
CC(C)CC(C)(C)C(=O)N(C)CCNS(C)(=O)=O CC(C)C[*:1] CN(CCNS(C)(=O)=O)C(=O)C(C)(C)[*:1]
CC(C)CC(C)(C)C(=O)N(C)CCNS(C)(=O)=O CS(=O)(=O)NC[*:1] CC(C)CC(C)(C)C(=O)N(C)C[*:1]
CC(C)CC(C)(C)C(=O)N(C)CCNS(C)(=O)=O CS(=O)(=O)N[*:1] CC(C)CC(C)(C)C(=O)N(C)CC[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 CCN(CC)C(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)s1
Cc1nc(C(C)(C)NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)sc1C Cc1nc(sc1C)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NC(C)(C)[*:1]
Cc1nc(C(C)(C)NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)sc1C Cc1n[nH]c(C)c1[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)[C@H](C)C[*:1]
CN(C(=O)c1ccc(F)cc1O)[C@H]1CCCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(C(=O)c1ccc(F)cc1O)[C@H]1CCCN(C1=O)[*:1]
CN(C(=O)c1ccc(F)cc1O)[C@H]1CCCN(c2ccccc2)C1=O Oc1cc(F)ccc1[*:1] CN(C(=O)[*:1])[C@H]1CCCN(C1=O)c1ccccc1
C[C@H]1C[C@@H]1C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)Cc1nnnn1[*:1]
Cc1c(Cl)cccc1NC(=O)CCNC(=O)N1CC[C@H](C)[C@@H](O)C1 Cc1c(Cl)cccc1[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NCCC(=O)N[*:1]
CC(C)n1ncc(C(=O)NCC[C@@H](O)c2ccccc2)c1C(F)(F)F CC(C)[*:1] O=C(NCC[C@@H](O)c1ccccc1)c1cnn(c1C(F)(F)F)[*:1]
CC(C)n1ncc(C(=O)NCC[C@@H](O)c2ccccc2)c1C(F)(F)F FC(F)(F)[*:1] CC(C)n1ncc(C(=O)NCC[C@@H](O)c2ccccc2)c1[*:1]
CC(C)n1ncc(C(=O)NCC[C@@H](O)c2ccccc2)c1C(F)(F)F O[C@@H](c1ccccc1)[*:1] CC(C)n1ncc(C(=O)NCC[*:1])c1C(F)(F)F
CC(C)n1ncc(C(=O)NCC[C@@H](O)c2ccccc2)c1C(F)(F)F c1ccc(cc1)[*:1] CC(C)n1ncc(C(=O)NCC[C@@H](O)[*:1])c1C(F)(F)F
C[C@H](SC(=S)N1CCCC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 NC(=O)[*:1] C[C@H](SC(=S)N1CCCC1)C(=O)Nc1sc2CCCc2c1[*:1]
C[C@H](SC(=S)N1CCCC1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 S=C(S[*:1])N1CCCC1 C[C@H](C(=O)Nc1sc2CCCc2c1C(N)=O)[*:1]
CC(C)(C)n1cc(NC(=O)[C@H]2CCOc3ccccc32)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)[*:1])[C@H]1CCOc2ccccc21
CC[C@H](C(=O)NC1CC1)N(c1ccccc1)S(C)(=O)=O C1CC1[*:1] CC[C@H](C(=O)N[*:1])N(c1ccccc1)S(C)(=O)=O
CC[C@H](C(=O)NC1CC1)N(c1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] CC[C@H](C(=O)NC1CC1)N(S(C)(=O)=O)[*:1]
CC[C@H](C(=O)NC1CC1)N(c1ccccc1)S(C)(=O)=O O=C(NC1CC1)[*:1] CC[C@H](N(c1ccccc1)S(C)(=O)=O)[*:1]
Cc1nc(SCC(=O)Nc2cccc3ccccc23)oc1C Cc1nc(oc1C)[*:1] O=C(CS[*:1])Nc1cccc2ccccc12
Cc1cccc(OCC(=O)NNC(=O)NC2CC[NH+](C)CC2)c1 Cc1cccc(c1)[*:1] C[NH+]1CCC(CC1)NC(=O)NNC(=O)CO[*:1]
O=C1CCCN1CC[C@@H]1CN(C(=O)[C@H]2CCCS2)c2ccccc21 O=C1CCCN1[*:1] O=C([C@H]1CCCS1)N1C[C@@H](CC[*:1])c2ccccc21
O=C1CCCN1CC[C@@H]1CN(C(=O)[C@H]2CCCS2)c2ccccc21 O=C1CCCN1C[*:1] O=C([C@H]1CCCS1)N1C[C@@H](C[*:1])c2ccccc21
O=C1CCCN1CC[C@@H]1CN(C(=O)[C@H]2CCCS2)c2ccccc21 O=C1CCCN1CC[*:1] O=C([C@H]1CCCS1)N1C[C@H](c2ccccc21)[*:1]
NC(=O)c1ccc(C(F)(F)F)nc1NCC1(O)CCCC1 NC(=O)[*:1] OC1(CCCC1)CNc1nc(ccc1[*:1])C(F)(F)F
NC(=O)c1ccc(C(F)(F)F)nc1NCC1(O)CCCC1 OC1(CCCC1)[*:1] NC(=O)c1ccc(nc1NC[*:1])C(F)(F)F
NC(=O)c1ccc(C(F)(F)F)nc1NCC1(O)CCCC1 FC(F)(F)[*:1] NC(=O)c1ccc(nc1NCC1(O)CCCC1)[*:1]
NC(=O)c1ccc(C(F)(F)F)nc1NCC1(O)CCCC1 OC1(CCCC1)C[*:1] NC(=O)c1ccc(nc1N[*:1])C(F)(F)F
C[NH2+]CC/C=C(/C)[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[NH2+]CC/C=C(/C)[C@H]1CCC[C@@H](C1)[*:1]
CC(C)CNC(=O)CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1 CC(C)C[*:1] Cn1ccc2ccc(cc21)NC(=O)C(=O)NCC(=O)N[*:1]
CC(C)CNC(=O)CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1 CC(C)[*:1] Cn1ccc2ccc(cc21)NC(=O)C(=O)NCC(=O)NC[*:1]
CC(C)CNC(=O)CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1 CC(C)CNC(=O)C[*:1] Cn1ccc2ccc(cc21)NC(=O)C(=O)N[*:1]
CC(C)CNC(=O)CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1 CC(C)CNC(=O)[*:1] Cn1ccc2ccc(cc21)NC(=O)C(=O)NC[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC[C@@H](CCO)c2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NC[C@@H](CCO)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC[C@@H](CCO)c2ccccc2)C1 OCC[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NC[C@@H](c1ccccc1)[*:1]
CCOc1cccc2c1CC[C@H]2NC(=O)NCCC(F)(F)F FC(F)(F)CC[*:1] CCOc1cccc2c1CC[C@H]2NC(=O)N[*:1]
CCOc1cccc2c1CC[C@H]2NC(=O)NCCC(F)(F)F FC(F)(F)[*:1] CCOc1cccc2c1CC[C@H]2NC(=O)NCC[*:1]
CCOc1cccc2c1CC[C@H]2NC(=O)NCCC(F)(F)F CCO[*:1] O=C(NCCC(F)(F)F)N[C@@H]1CCc2c1cccc2[*:1]
CCOc1cccc2c1CC[C@H]2NC(=O)NCCC(F)(F)F FC(F)(F)C[*:1] CCOc1cccc2c1CC[C@H]2NC(=O)NC[*:1]
CCN(CC)C(=O)c1cn(C2CCC(NC(=O)C(C)(C)C)CC2)nn1 CC(C)(C)C(=O)N[*:1] CCN(CC)C(=O)c1cn(nn1)C1CCC(CC1)[*:1]
CCN(CC)C(=O)c1cn(C2CCC(NC(=O)C(C)(C)C)CC2)nn1 CCN(CC)C(=O)[*:1] CC(C)(C)C(=O)NC1CCC(CC1)n1cc(nn1)[*:1]
CCN(CC)C(=O)c1cn(C2CCC(NC(=O)C(C)(C)C)CC2)nn1 CC(C)(C)[*:1] CCN(CC)C(=O)c1cn(nn1)C1CCC(CC1)NC(=O)[*:1]
CCN(Cc1ccccn1)[C@H](C[NH3+])c1ccccc1F c1ccc(nc1)[*:1] CCN(C[*:1])[C@H](C[NH3+])c1ccccc1F
COc1ccc(/C=C2\NC(=S)N(Cc3ccccc3Cl)C2=O)cc1O Clc1ccccc1[*:1] COc1ccc(/C=C2\NC(=S)N(C[*:1])C2=O)cc1O
COc1ccc(/C=C2\NC(=S)N(Cc3ccccc3Cl)C2=O)cc1O Clc1ccccc1C[*:1] COc1ccc(/C=C2\NC(=S)N(C2=O)[*:1])cc1O
CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)CC)ccc21 CCC[*:1] CCS(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)CC)ccc21 CCS(=O)(=O)N[*:1] CCCS(=O)(=O)N1CCCc2cc(ccc21)[*:1]
CC(C)c1cccc(NC(=O)c2ccc(=O)n(C)n2)c1 CC(C)[*:1] Cn1nc(ccc1=O)C(=O)Nc1cccc(c1)[*:1]
CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CCc3ccccc32)CC1 CCNC(=O)C[*:1] C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(CC1)[*:1]
CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CCc3ccccc32)CC1 CCNC(=O)[*:1] C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(CC1)C[*:1]
NC(=O)c1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 C1CN(CCO1)[*:1] NC(=O)c1ccc(cc1)C(=O)NCc1cc[nH+]c(c1)[*:1]
NC(=O)c1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 NC(=O)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCOCC1)c1ccc(cc1)[*:1]
C[C@H]1CN(C(=O)C2(C#N)CCC2)C[C@H]1N1CCOCC1 C1CN(CCO1)[*:1] C[C@H]1CN(C[C@@H]1[*:1])C(=O)C1(C#N)CCC1
C[C@H]1CN(C(=O)C2(C#N)CCC2)C[C@H]1N1CCOCC1 N#CC1(CCC1)[*:1] C[C@H]1CN(C[C@H]1N1CCOCC1)C(=O)[*:1]
O=C(OCC(=O)N1CCCC1)C1CCN(c2ccc(Cl)cn2)CC1 O=C(N1CCCC1)[*:1] O=C(OC[*:1])C1CCN(CC1)c1ccc(Cl)cn1
O=C(OCC(=O)N1CCCC1)C1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] O=C(OCC(=O)N1CCCC1)C1CCN(CC1)[*:1]
O=C(OCC(=O)N1CCCC1)C1CCN(c2ccc(Cl)cn2)CC1 O=C(C[*:1])N1CCCC1 O=C(O[*:1])C1CCN(CC1)c1ccc(Cl)cn1
Cc1csc(C(C)(C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)n1 CC(C)(C)[*:1] Cc1csc(n1)C(C)(C)[NH2+]CC1CCN(CC1)C(=O)O[*:1]
Cc1csc(C(C)(C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)n1 Cc1csc(n1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C[NH2+]C(C)(C)[*:1]
O=C(NCc1n[nH]c(=S)n1C1CC1)Nc1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(NCc1n[nH]c(=S)n1C1CC1)Nc1ccc(cc1)[*:1]
O=C(NCc1n[nH]c(=S)n1C1CC1)Nc1ccc(-n2ccnn2)cc1 C1CC1[*:1] O=C(NCc1n[nH]c(=S)n1[*:1])Nc1ccc(cc1)-n1ccnn1
Cc1cc(C)c(C(N)=O)c(N[C@H]2C=C[C@H](C(=O)[O-])C2)[nH+]1 O=C([O-])[*:1] Cc1cc(C)c(C(N)=O)c(N[C@H]2C=C[C@H](C2)[*:1])[nH+]1
Cc1cc(C)c(C(N)=O)c(N[C@H]2C=C[C@H](C(=O)[O-])C2)[nH+]1 NC(=O)[*:1] Cc1cc(C)c(c(N[C@H]2C=C[C@@H](C2)C(=O)[O-])[nH+]1)[*:1]
COc1cccc([C@@H](NC(=O)[C@H](C)c2cccs2)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@@H](NC(=O)[C@H](C)c1cccs1)[*:1]
COc1cccc([C@@H](NC(=O)[C@H](C)c2cccs2)c2nccn2C)c1 COc1cccc(c1)[*:1] C[C@@H](C(=O)N[C@@H](c1nccn1C)[*:1])c1cccs1
COc1cccc([C@@H](NC(=O)[C@H](C)c2cccs2)c2nccn2C)c1 C[C@H](c1cccs1)[*:1] COc1cccc(c1)[C@@H](NC(=O)[*:1])c1nccn1C
COc1cccc([C@@H](NC(=O)[C@H](C)c2cccs2)c2nccn2C)c1 c1csc(c1)[*:1] COc1cccc(c1)[C@@H](NC(=O)[C@H](C)[*:1])c1nccn1C
COc1ccc(NC(=O)c2ccccc2SCc2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)c1ccccc1SC[*:1]
COc1ccc(NC(=O)c2ccccc2SCc2ccc(F)cc2)cc1OC Fc1ccc(cc1)C[*:1] COc1ccc(cc1OC)NC(=O)c1ccccc1S[*:1]
COc1ccc(NC(=O)c2ccccc2SCc2ccc(F)cc2)cc1OC Fc1ccc(cc1)CS[*:1] COc1ccc(cc1OC)NC(=O)c1ccccc1[*:1]
CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC3)c2c1C CCOC(=O)[*:1] Cc1c(sc2nc(C[NH+]3CCCCC3)nc(c12)N1CCC1)[*:1]
CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC3)c2c1C C1CN(C1)[*:1] CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(c2c1C)[*:1]
CCCn1c(C)nnc1S[C@H](C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CCCn1c(C)nnc1S[C@H](C)c1ccc(cc1)[*:1]
CCCn1c(C)nnc1S[C@H](C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CCCn1c(C)nnc1S[C@H](C)c1ccc(cc1)O[*:1]
CCCn1c(C)nnc1S[C@H](C)c1ccc(OC(F)(F)F)cc1 CCC[*:1] Cc1nnc(S[C@H](C)c2ccc(cc2)OC(F)(F)F)n1[*:1]
Cn1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2F)c2ccccc21 Fc1ccc(c(F)c1)[*:1] Cn1cc(C(=O)NNS(=O)(=O)[*:1])c2ccccc21
CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1 FC(F)(F)c1cccc(c1)[*:1] CCCc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)[*:1])-c1ccco1
CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1 c1coc(c1)[*:1] CCCc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)c1cccc(c1)C(F)(F)F)[*:1]
CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1 CCC[*:1] O=C(Nc1cc(nn1-c1nc(cc(=O)[nH]1)[*:1])-c1ccco1)c1cccc(c1)C(F)(F)F
CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1 CCCc1cc(=O)[nH]c(n1)[*:1] O=C(Nc1cc(nn1[*:1])-c1ccco1)c1cccc(c1)C(F)(F)F
CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] CCCc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)c1cccc(c1)[*:1])-c1ccco1
Cc1n[nH]c(-c2ccc(C(=O)NC[C@H]3CCC[C@@H](C)C3)cc2)n1 Cc1n[nH]c(n1)[*:1] C[C@@H]1CCC[C@H](CNC(=O)c2ccc(cc2)[*:1])C1
C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 O=[N+]([O-])[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)c1cccc(c1)[*:1])c1ccccc1
C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1cccc(c1)[N+](=O)[O-]
C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc([C@@H](CNC(=O)c2cccnc2NC(C)C)[NH+]2CCCC2)cc1 CC(C)N[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)c1cccnc1[*:1])[NH+]1CCCC1
Cc1ccc([C@@H](CNC(=O)c2cccnc2NC(C)C)[NH+]2CCCC2)cc1 Cc1ccc(cc1)[*:1] CC(C)Nc1ncccc1C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
Cc1ccc([C@@H](CNC(=O)c2cccnc2NC(C)C)[NH+]2CCCC2)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)c1cccnc1N[*:1])[NH+]1CCCC1
CCc1[nH+]n(C)c2c1NC(=O)CN2C(C)(C)C CC(C)(C)[*:1] CCc1[nH+]n(C)c2c1NC(=O)CN2[*:1]
Cc1csc(C[S@](=O)CCCc2csc(C)n2)n1 Cc1csc(n1)[*:1] Cc1nc(cs1)CCC[S@@](=O)C[*:1]
Cc1csc(C[S@](=O)CCCc2csc(C)n2)n1 Cc1nc(cs1)[*:1] Cc1csc(C[S@](=O)CCC[*:1])n1
CC(C)(C)[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 CC(C)(C)[*:1] O=C(C[NH2+][*:1])N[C@@H]1CCCc2ccccc21
COc1ccc(N2C[C@H](c3nc(-c4oc5ccc(OC)cc5c4C)no3)CC2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc2oc(-c3noc(n3)[C@@H]3CC(=O)N(C3)[*:1])c(C)c2c1
CCCc1cc(NC(=O)C(=O)N(C)Cc2cccs2)n(C)n1 c1csc(c1)[*:1] CCCc1cc(NC(=O)C(=O)N(C)C[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N(C)Cc2cccs2)n(C)n1 c1csc(c1)C[*:1] CCCc1cc(NC(=O)C(=O)N(C)[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N(C)Cc2cccs2)n(C)n1 CCC[*:1] CN(Cc1cccs1)C(=O)C(=O)Nc1cc(nn1C)[*:1]
O=S(=O)([N-]c1ccccc1Cl)c1ccc(-n2cccn2)cc1 Clc1ccccc1[*:1] O=S(=O)([N-][*:1])c1ccc(cc1)-n1cccn1
O=S(=O)([N-]c1ccccc1Cl)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=S(=O)([N-]c1ccccc1Cl)c1ccc(cc1)[*:1]
CC(C)CC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 CC(C)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccc(Br)cc1
CC(C)CC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 CC(C)C[*:1] O=C(c1ccc(Br)cc1)N1CCN(CC1)C(=O)[*:1]
CC(C)CC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] CC(C)CC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1noc([C@@H]2CCCN(CC#N)C2)n1 N#CC[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)[*:1]
CCN(C(=O)C[NH2+][C@](C)(CO)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)C[NH2+][C@](C)(CO)C1CCCCC1)[*:1]
CCN(C(=O)C[NH2+][C@](C)(CO)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(CC1)[*:1] CCN(C(=O)C[NH2+][C@](C)(CO)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccc(C)c(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)c(S(=O)(=O)N3CCCC3)c2)c1 Cc1ccc(C)c(c1)NC(=O)[*:1] O=S(=O)(c1cn(cc1S(=O)(=O)N1CCCC1)C[*:1])N1CCCC1
Cc1ccc(C)c(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)c(S(=O)(=O)N3CCCC3)c2)c1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(C)c(c1)NC(=O)Cn1cc(c(c1)[*:1])S(=O)(=O)N1CCCC1
Cc1ccc(C)c(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)c(S(=O)(=O)N3CCCC3)c2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cn1cc(c(c1)S(=O)(=O)N1CCCC1)S(=O)(=O)N1CCCC1)N[*:1]
Cc1nn(CC(=O)[O-])c(C)c1NS(=O)(=O)c1cccc2cccnc12 O=C([O-])C[*:1] Cc1nn(c(C)c1NS(=O)(=O)c1cccc2cccnc12)[*:1]
Cc1nn(CC(=O)[O-])c(C)c1NS(=O)(=O)c1cccc2cccnc12 O=C([O-])[*:1] Cc1nn(C[*:1])c(C)c1NS(=O)(=O)c1cccc2cccnc12
CC(=O)c1cnc2n(c1=O)CCS2 CC(=O)[*:1] O=c1c(cnc2SCCn21)[*:1]
CNC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 CNC(=O)[*:1] O=C([C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)N1CCC(CC1)[*:1]
CNC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 Clc1ccc(Cl)c(c1)[*:1] CNC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1Cl COC(=O)[*:1] C[C@H](NC(=O)c1ccc(Br)cc1Cl)[*:1]
COc1ccc(NC(=O)CCNS(C)(=O)=O)c(Cl)c1 CS(=O)(=O)NC[*:1] COc1ccc(NC(=O)C[*:1])c(Cl)c1
COc1ccc(NC(=O)CCNS(C)(=O)=O)c(Cl)c1 CS(=O)(=O)N[*:1] COc1ccc(NC(=O)CC[*:1])c(Cl)c1
CSCC(=O)NC[C@H](O)c1ccco1 CSC[*:1] O=C(NC[C@H](O)c1ccco1)[*:1]
Cc1cccc(C(=O)Nc2ccccc2SCc2ccsc2)c1 c1cc(cs1)CS[*:1] Cc1cccc(c1)C(=O)Nc1ccccc1[*:1]
Cc1cccc(C(=O)Nc2ccccc2SCc2ccsc2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1SCc1ccsc1)[*:1]
Cc1cccc(C(=O)Nc2ccccc2SCc2ccsc2)c1 c1cc(cs1)[*:1] Cc1cccc(c1)C(=O)Nc1ccccc1SC[*:1]
Cc1cccc(C(=O)Nc2ccccc2SCc2ccsc2)c1 c1cc(cs1)C[*:1] Cc1cccc(c1)C(=O)Nc1ccccc1S[*:1]
CCOCCO[C@@H](C)C(=O)N1CC[C@@H](C)[C@H](O)C1 CCOCCO[*:1] C[C@@H](C(=O)N1CC[C@@H](C)[C@H](O)C1)[*:1]
CCOCCO[C@@H](C)C(=O)N1CC[C@@H](C)[C@H](O)C1 CCOCC[*:1] C[C@H](O[*:1])C(=O)N1CC[C@@H](C)[C@H](O)C1
CCOCCO[C@@H](C)C(=O)N1CC[C@@H](C)[C@H](O)C1 CCO[*:1] C[C@H](OCC[*:1])C(=O)N1CC[C@@H](C)[C@H](O)C1
CCOCCO[C@@H](C)C(=O)N1CC[C@@H](C)[C@H](O)C1 CCOC[*:1] C[C@H](OC[*:1])C(=O)N1CC[C@@H](C)[C@H](O)C1
Nc1c2sc3nc4ccccc4n3c2nc[n+]1NC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Nc1c2sc3nc4ccccc4n3c2nc[n+]1NC(=O)N[*:1]
CCN1CCN(C(=O)c2n[nH]c(C(C)C)n2)C[C@H]1C CC(C)[*:1] CCN1CCN(C[C@H]1C)C(=O)c1n[nH]c(n1)[*:1]
C[C@@H](NC(=O)OCCO)c1ccsc1 OCC[*:1] C[C@@H](NC(=O)O[*:1])c1ccsc1
CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](C)Nc2ccccc2)C1 CC(C)[*:1] C[C@H](CNC(=O)N[C@@H]1CCC[C@H](C1)C(=O)N[*:1])Nc1ccccc1
CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](C)Nc2ccccc2)C1 CC(C)NC(=O)[*:1] C[C@H](CNC(=O)N[C@@H]1CCC[C@H](C1)[*:1])Nc1ccccc1
CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](C)Nc2ccccc2)C1 c1ccc(cc1)N[*:1] CC(C)NC(=O)[C@@H]1CCC[C@H](C1)NC(=O)NC[C@@H](C)[*:1]
CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](C)Nc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)NC(=O)[C@@H]1CCC[C@H](C1)NC(=O)NC[C@@H](C)N[*:1]
COc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1ccc(C)cc1C
COc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)Nc1ccc(C)cc1C
Cc1ccccc1C1(CNC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)CC1 Cc1ccccc1[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)NCC1(CC1)[*:1]
Cc1ccccc1C1(CNC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)CC1 CS(=O)(=O)[*:1] Cc1ccccc1C1(CC1)CNC(=O)Nc1ccc(C)c(c1)[*:1]
Cc1nc(N2CCN(C(=O)C3CCCCC3)CC2)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)C1CCCCC1
Cc1nc(N2CCN(C(=O)C3CCCCC3)CC2)cc(-n2cccn2)n1 C1CCC(CC1)[*:1] Cc1nc(cc(n1)-n1cccn1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccccc1Cn1cncn1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] O=C(c1ccccc1Cn1cncn1)N(CC[*:1])C1CCC1
O=C(c1ccccc1Cn1cncn1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] O=C(c1ccccc1Cn1cncn1)N(C[*:1])C1CCC1
O=C(c1ccccc1Cn1cncn1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] O=C(c1ccccc1Cn1cncn1)N(C1CCC1)[*:1]
O=C(c1ccccc1Cn1cncn1)N(CCC(F)(F)F)C1CCC1 c1ncn(C[*:1])n1 O=C(c1ccccc1[*:1])N(CCC(F)(F)F)C1CCC1
O=C(c1ccccc1Cn1cncn1)N(CCC(F)(F)F)C1CCC1 c1ncn(n1)[*:1] O=C(c1ccccc1C[*:1])N(CCC(F)(F)F)C1CCC1
O=C(c1ccccc1Cn1cncn1)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] O=C(c1ccccc1Cn1cncn1)N(CCC(F)(F)F)[*:1]
CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 CCOC(=O)[*:1] Cc1cc2OC(N)=C([C@H](c3ccc(Cl)c(Cl)c3)c2c(=O)o1)[*:1]
CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1[*:1]
O=C1N=C([O-])[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1N=C([O-])[C@]2(Cc3cc(ccc3N3CCOC[C@@H]32)[N+](=O)[O-])C(=O)N1[*:1]
O=C1N=C([O-])[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C1N=C([O-])[C@]2(Cc3cc(ccc3N3CCOC[C@@H]32)[*:1])C(=O)N1c1ccc(Cl)cc1
Cn1cc([C@@](C)(O)CN[C@@H](c2cccs2)C2CCCC2)cn1 C1CCC(C1)[*:1] Cn1cc(cn1)[C@@](C)(O)CN[C@@H](c1cccs1)[*:1]
Cn1cc([C@@](C)(O)CN[C@@H](c2cccs2)C2CCCC2)cn1 Cn1cc(cn1)[*:1] C[C@@](O)(CN[C@@H](c1cccs1)C1CCCC1)[*:1]
Cn1cc([C@@](C)(O)CN[C@@H](c2cccs2)C2CCCC2)cn1 c1csc(c1)[*:1] Cn1cc(cn1)[C@@](C)(O)CN[C@@H](C1CCCC1)[*:1]
C[C@]1(c2cccc(C(=O)OCC(=O)c3ccc4c(c3)CCCC4)c2)NC(=O)NC1=O c1cc2CCCCc2cc1[*:1] C[C@@]1(NC(=O)NC1=O)c1cccc(c1)C(=O)OCC(=O)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)NCC(=O)NCC(=O)[O-] O=C([O-])CNC(=O)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)NC[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)NCC(=O)NCC(=O)[O-] O=C([O-])[*:1] Cc1noc(C)c1[C@H](C)NC(=O)NCC(=O)NC[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)NCC(=O)NCC(=O)[O-] O=C([O-])C[*:1] Cc1noc(C)c1[C@H](C)NC(=O)NCC(=O)N[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)NCC(=O)NCC(=O)[O-] Cc1noc(C)c1[*:1] C[C@H](NC(=O)NCC(=O)NCC(=O)[O-])[*:1]
CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2cc(Cl)ccc21 CCC[*:1] COc1ccc(cc1OC)C(=O)C[C@]1(O)C(=O)N(c2ccc(Cl)cc21)[*:1]
C[C@]1(c2ccccc2)CN(C(=O)C=C2CCSCC2)CCO1 c1ccc(cc1)[*:1] C[C@@]1(CN(CCO1)C(=O)C=C1CCSCC1)[*:1]
CCCc1noc([C@@H](C)N2CCN(C[C@@H](O)c3ccco3)CC2)n1 O[C@H](C[*:1])c1ccco1 CCCc1noc(n1)[C@@H](C)N1CCN(CC1)[*:1]
CCCc1noc([C@@H](C)N2CCN(C[C@@H](O)c3ccco3)CC2)n1 CCCc1noc(n1)[*:1] C[C@@H](N1CCN(CC1)C[C@@H](O)c1ccco1)[*:1]
CCCc1noc([C@@H](C)N2CCN(C[C@@H](O)c3ccco3)CC2)n1 c1coc(c1)[*:1] CCCc1noc(n1)[C@@H](C)N1CCN(CC1)C[C@@H](O)[*:1]
CCCc1noc([C@@H](C)N2CCN(C[C@@H](O)c3ccco3)CC2)n1 CCC[*:1] C[C@H](c1nc(no1)[*:1])N1CCN(CC1)C[C@@H](O)c1ccco1
CCCc1noc([C@@H](C)N2CCN(C[C@@H](O)c3ccco3)CC2)n1 O[C@@H](c1ccco1)[*:1] CCCc1noc(n1)[C@@H](C)N1CCN(CC1)C[*:1]
CCC[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1C CCC[*:1] Cc1cc(Cl)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1[*:1]
O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Nc1cccc(c1)-c1nnc2CCCCCn21)[*:1]
CSc1ccccc1NC(=O)[C@H]1CCCN(c2cc(-n3nc(C)cc3C)ncn2)C1 Cc1cc(C)n(n1)[*:1] CSc1ccccc1NC(=O)[C@H]1CCCN(C1)c1cc(ncn1)[*:1]
CSc1ccccc1NC(=O)[C@H]1CCCN(c2cc(-n3nc(C)cc3C)ncn2)C1 CSc1ccccc1[*:1] Cc1cc(C)n(n1)-c1cc(ncn1)N1CCC[C@@H](C1)C(=O)N[*:1]
N#Cc1ccccc1OCC(=O)NNC(=O)c1ccc2c(c1)CCCC2 N#Cc1ccccc1[*:1] O=C(CO[*:1])NNC(=O)c1ccc2CCCCc2c1
COc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3nc4ccccc4s3)nc12 c1ccc2sc(nc2c1)[*:1] COc1ccc(C)c2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
Cc1cccc(/C=C(\C[NH2+]C(C)C)C(C)C)c1 CC(C)[*:1] Cc1cccc(/C=C(\C[NH2+][*:1])C(C)C)c1
Cc1cccc(/C=C(\C[NH2+]C(C)C)C(C)C)c1 CC(C)[*:1] Cc1cccc(/C=C(\C[NH2+]C(C)C)[*:1])c1
CC(C)c1nc(S(=O)(=O)N(C)Cc2nc3c(s2)CCCC3)c[nH]1 CC(C)[*:1] CN(Cc1nc2CCCCc2s1)S(=O)(=O)c1c[nH]c(n1)[*:1]
CCC[NH+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CCSCC1 CCC[*:1] O=c1[nH]c(C[NH+](C2CCSCC2)[*:1])nc2cc(Cl)ccc12
CC1(C)CCCC[C@@]1(C[NH3+])[NH2+]C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC1(C)CCCC[C@@]1(C[NH3+])[NH2+]C[*:1]
CC(C)N(CC(=O)N1C[C@H](C)O[C@H](C)C1)c1ccc(F)cc1 CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CN(c1ccc(F)cc1)[*:1]
CC(C)N(CC(=O)N1C[C@H](C)O[C@H](C)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)N(CC(=O)N1C[C@H](C)O[C@H](C)C1)[*:1]
C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 Clc1cccc(c1)[*:1] C[C@@H]1CCCCN1c1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 C[C@@H]1CCCCN1[*:1] O=C1C[C@H](C(=O)Nc2cccc(Cl)c2)c2c(nc([nH]c2=O)[*:1])N1
COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)c1 COC(=O)[*:1] C[C@@H](NS(=O)(=O)c1cccc(c1)[*:1])c1cccc(Br)c1
COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] COC(=O)c1cccc(c1)S(=O)(=O)N[C@H](C)[*:1]
C[C@H]([NH2+][C@H]1COc2ccccc21)c1ccccc1N(C)C CN(C)[*:1] C[C@H]([NH2+][C@H]1COc2ccccc21)c1ccccc1[*:1]
CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)N[*:1]
CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)Nc1nccs1 CC(C)[*:1] O=C(Nc1nccs1)[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)[*:1]
CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)[*:1]
CC(C)CN1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 CC(C)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C[*:1]
CC(C)CN1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC(C)CN1CCN(CC1)C(=O)C(C)(C)O[*:1]
CC(C)CN1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 CC(C)C[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)[*:1]
CCN(c1cccc(N)c1)S(=O)(=O)CCOC(C)C CC(C)OC[*:1] CCN(c1cccc(N)c1)S(=O)(=O)C[*:1]
CCN(c1cccc(N)c1)S(=O)(=O)CCOC(C)C CC(C)O[*:1] CCN(c1cccc(N)c1)S(=O)(=O)CC[*:1]
CCN(c1cccc(N)c1)S(=O)(=O)CCOC(C)C CC(C)[*:1] CCN(c1cccc(N)c1)S(=O)(=O)CCO[*:1]
CCN(c1cccc(N)c1)S(=O)(=O)CCOC(C)C CC(C)OCC[*:1] CCN(c1cccc(N)c1)S(=O)(=O)[*:1]
C[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)Nc1cccc2ccccc12 c1csc(c1)[*:1] C[C@H](Sc1nnc(n1N)[*:1])C(=O)Nc1cccc2ccccc12
O=C(N[C@H]1C=C[C@H](C(=O)[O-])C1)c1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(N[C@H]1C=C[C@@H](C1)C(=O)[O-])c1ccc(Br)c(c1)[*:1]
O=C(N[C@H]1C=C[C@H](C(=O)[O-])C1)c1ccc(Br)c([N+](=O)[O-])c1 O=C([O-])[*:1] O=C(N[C@H]1C=C[C@H](C1)[*:1])c1ccc(Br)c(c1)[N+](=O)[O-]
COC(=O)N(C)c1ccc(NC(=O)c2ccc(-n3ccnn3)cc2)cc1 c1cn(nn1)[*:1] COC(=O)N(C)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
COC(=O)N(C)c1ccc(NC(=O)c2ccc(-n3ccnn3)cc2)cc1 COC(=O)N(C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)-n1ccnn1
CC(C)N1CCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)N1CCN(CC1)C(=O)C(=O)Nc1ccnn1[*:1]
CC(C)N1CCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)CC1 CC(C)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N1CCN(CC1)[*:1]
C[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)[C@@H]1CO CN(C)C(=O)[*:1] C[C@@H]1CCCN(C(=O)Nc2ccc(F)c(c2)[*:1])[C@@H]1CO
CC(C)[C@@H](CO)NC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)O[*:1] CC(C)[C@@H](CO)NC(=O)Nc1ccc(nc1)[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 CC(C)[*:1] O=C(Nc1ccc(nc1)Oc1ccc(F)cc1)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](CO)NC(=O)Nc1ccc(nc1)O[*:1]
Cc1cc(C[NH2+]CCOCC(F)(F)F)ccc1Br FC(F)(F)C[*:1] Cc1cc(ccc1Br)C[NH2+]CCO[*:1]
Cc1cc(C[NH2+]CCOCC(F)(F)F)ccc1Br FC(F)(F)CO[*:1] Cc1cc(ccc1Br)C[NH2+]CC[*:1]
Cc1cc(C[NH2+]CCOCC(F)(F)F)ccc1Br FC(F)(F)[*:1] Cc1cc(ccc1Br)C[NH2+]CCOC[*:1]
CCCC[C@H](CC)[C@H]1OC[C@@H](C[NH+]2CCCCC2)O1 CCCC[*:1] CC[C@H]([C@H]1OC[C@@H](C[NH+]2CCCCC2)O1)[*:1]
CCCC[C@H](CC)[C@H]1OC[C@@H](C[NH+]2CCCCC2)O1 CCC[*:1] CC[C@@H](C[*:1])[C@H]1OC[C@@H](C[NH+]2CCCCC2)O1
CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cc[nH]n2)C1 c1cc(n[nH]1)[*:1] CNC(=O)[C@@]1(CCCN(C1)C(=O)[*:1])Cc1ccccc1-c1cccs1
CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cc[nH]n2)C1 c1csc(c1)[*:1] CNC(=O)[C@@]1(CCCN(C1)C(=O)c1cc[nH]n1)Cc1ccccc1[*:1]
CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cc[nH]n2)C1 CNC(=O)[*:1] O=C(c1cc[nH]n1)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C1)[*:1]
CCCN(C(=O)[C@@H]1CSc2ccccc21)[C@H]1CC[NH2+]C1 CCC[*:1] O=C([C@@H]1CSc2ccccc21)N([C@H]1CC[NH2+]C1)[*:1]
CC(C)C(=O)Nc1nc([O-])c2nccnc2n1 CC(C)[*:1] O=C(Nc1nc([O-])c2nccnc2n1)[*:1]
CCOC(=O)[C@H](C)N(C)Cc1cc(F)c(F)cc1F CCOC(=O)[*:1] C[C@H](N(C)Cc1cc(F)c(F)cc1F)[*:1]
CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 CCOC(=O)[*:1] O=S(=O)([N-]c1ccc(cc1)[*:1])c1c(F)cccc1F
CC(C)n1ccc(CN(c2ccccc2F)S(=O)(=O)C(C)C)n1 CC(C)[*:1] CC(C)S(=O)(=O)N(Cc1ccn(n1)[*:1])c1ccccc1F
CC(C)n1ccc(CN(c2ccccc2F)S(=O)(=O)C(C)C)n1 CC(C)[*:1] CC(C)n1ccc(CN(c2ccccc2F)S(=O)(=O)[*:1])n1
CC(C)n1ccc(CN(c2ccccc2F)S(=O)(=O)C(C)C)n1 Fc1ccccc1[*:1] CC(C)n1ccc(CN(S(=O)(=O)C(C)C)[*:1])n1
C[C@@H](CNC(=O)c1c(F)cccc1Br)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)c1c(F)cccc1Br)[*:1]
CC(=O)N1CCN(C(=O)CNC(=O)CCC(C)C)CC1 CC(C)C[*:1] CC(=O)N1CCN(CC1)C(=O)CNC(=O)C[*:1]
CC(=O)N1CCN(C(=O)CNC(=O)CCC(C)C)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)C(=O)CNC(=O)CC[*:1]
CC(=O)N1CCN(C(=O)CNC(=O)CCC(C)C)CC1 CC(C)CC[*:1] CC(=O)N1CCN(CC1)C(=O)CNC(=O)[*:1]
O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nccn1C[*:1]
O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nccn1[*:1]
N#CC1=NN(c2ccc(Cl)cc2)[C@@H]2CN(c3ccccc3)CCN2C1=O c1ccc(cc1)[*:1] N#CC1=NN(c2ccc(Cl)cc2)[C@@H]2CN(CCN2C1=O)[*:1]
N#CC1=NN(c2ccc(Cl)cc2)[C@@H]2CN(c3ccccc3)CCN2C1=O Clc1ccc(cc1)[*:1] N#CC1=NN([C@@H]2CN(CCN2C1=O)c1ccccc1)[*:1]
N#Cc1ccc(S(=O)(=O)NCCCN2CCCCCC2=O)cc1Cl O=C1CCCCCN1[*:1] N#Cc1ccc(cc1Cl)S(=O)(=O)NCCC[*:1]
CCCCN1C(=O)COc2ccc(NC(=O)c3ccccc3OCC)cc21 CCC[*:1] CCOc1ccccc1C(=O)Nc1ccc2OCC(=O)N(C[*:1])c2c1
CCCCN1C(=O)COc2ccc(NC(=O)c3ccccc3OCC)cc21 CCCC[*:1] CCOc1ccccc1C(=O)Nc1ccc2OCC(=O)N(c2c1)[*:1]
CCCCN1C(=O)COc2ccc(NC(=O)c3ccccc3OCC)cc21 CCO[*:1] CCCCN1C(=O)COc2ccc(cc21)NC(=O)c1ccccc1[*:1]
CCCCN1C(=O)COc2ccc(NC(=O)c3ccccc3OCC)cc21 CCOc1ccccc1[*:1] CCCCN1C(=O)COc2ccc(cc21)NC(=O)[*:1]
Cc1csc([C@H](Nc2nc(-c3ccncc3)nc3c2CCC3)C2CC2)n1 c1cc(ccn1)[*:1] Cc1csc(n1)[C@H](Nc1nc(nc2CCCc21)[*:1])C1CC1
Cc1csc([C@H](Nc2nc(-c3ccncc3)nc3c2CCC3)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](Nc1nc(nc2CCCc21)-c1ccncc1)[*:1]
Cc1csc([C@H](Nc2nc(-c3ccncc3)nc3c2CCC3)C2CC2)n1 Cc1csc(n1)[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)N[C@H](C1CC1)[*:1]
Cc1n[nH]c(C)c1NC(=O)NC1(c2ccc(F)cc2F)CCOCC1 Cc1n[nH]c(C)c1[*:1] O=C(NC1(CCOCC1)c1ccc(F)cc1F)N[*:1]
Cc1n[nH]c(C)c1NC(=O)NC1(c2ccc(F)cc2F)CCOCC1 Fc1ccc(c(F)c1)[*:1] Cc1n[nH]c(C)c1NC(=O)NC1(CCOCC1)[*:1]
COC(=O)CSc1nc2ccccc2nc1C(F)(F)F FC(F)(F)[*:1] COC(=O)CSc1nc2ccccc2nc1[*:1]
COC(=O)CSc1nc2ccccc2nc1C(F)(F)F COC(=O)[*:1] FC(F)(F)c1nc2ccccc2nc1SC[*:1]
COC(=O)CSc1nc2ccccc2nc1C(F)(F)F COC(=O)C[*:1] FC(F)(F)c1nc2ccccc2nc1S[*:1]
COC(=O)CSc1nc2ccccc2nc1C(F)(F)F COC(=O)CS[*:1] FC(F)(F)c1nc2ccccc2nc1[*:1]
C[C@H](OC(=O)[C@H](C)c1ccc2c(c1)OCCO2)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@H](OC(=O)[C@H](C)c1ccc2OCCOc2c1)[*:1]
CCN1CCN(C(=O)[C@H](C)[NH+]2CCCCC2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O c1cncc(c1)[*:1] CCN1CCN(C[C@@H](Cc2ccc(cc2)[*:1])C1=O)C(=O)[C@H](C)[NH+]1CCCCC1
CN(c1ccc(F)cc1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 Fc1ccc(cc1)[*:1] CN(S(=O)(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CCOC(=O)c1csc(N(C)C(=O)c2cnc3ccc(F)cc3c2)n1 CCOC(=O)[*:1] CN(C(=O)c1cnc2ccc(F)cc2c1)c1nc(cs1)[*:1]
CN1C(SCc2ccccc2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 c1ccc(cc1)[*:1] CN1C(=N[C@@H]2CS(=O)(=O)C[C@@H]21)SC[*:1]
O=C(Cn1cnc2cc(F)ccc2c1=O)NCc1ccco1 c1coc(c1)[*:1] O=C(Cn1cnc2cc(F)ccc2c1=O)NC[*:1]
O=C(Cn1cnc2cc(F)ccc2c1=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cn1cnc2cc(F)ccc2c1=O)N[*:1]
CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3cccc(F)c3)o2)cc1 CCS(=O)(=O)[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1nnc(o1)-c1cccc(F)c1
CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3cccc(F)c3)o2)cc1 Fc1cccc(c1)[*:1] CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nnc(o1)[*:1]
C[C@@H](NC(=O)c1ccnc(OC(C)(C)C)c1)c1ccc(NC(N)=O)cc1 CC(C)(C)[*:1] C[C@@H](NC(=O)c1ccnc(c1)O[*:1])c1ccc(cc1)NC(N)=O
C[C@@H](NC(=O)c1ccnc(OC(C)(C)C)c1)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@@H](NC(=O)c1ccnc(c1)OC(C)(C)C)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1ccnc(OC(C)(C)C)c1)c1ccc(NC(N)=O)cc1 CC(C)(C)O[*:1] C[C@@H](NC(=O)c1ccnc(c1)[*:1])c1ccc(cc1)NC(N)=O
O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 Clc1ccc(cc1)[*:1] O=C(NNC(=S)NC(=O)[*:1])c1cccc(Cl)c1
O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NC(=S)NNC(=O)[*:1])c1ccc(Cl)cc1
C[C@@H](CNc1nc(C2CC2)no1)CC1(C)OCCO1 CC1(OCCO1)[*:1] C[C@@H](CNc1nc(no1)C1CC1)C[*:1]
C[C@@H](CNc1nc(C2CC2)no1)CC1(C)OCCO1 C1CC1[*:1] C[C@@H](CNc1nc(no1)[*:1])CC1(C)OCCO1
Cc1cc(C)cc(NNC(=O)CSc2nnnn2C)c1 Cn1nnnc1[*:1] Cc1cc(C)cc(c1)NNC(=O)CS[*:1]
O=C(Nc1ccccc1I)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1I)c1ccc(Cl)c(c1)[*:1]
Cc1c[nH+]c(N2CCC[C@H](c3cc(=O)[nH]cn3)C2)nc1N(C)C CN(C)[*:1] Cc1c[nH+]c(nc1[*:1])N1CCC[C@@H](C1)c1cc(=O)[nH]cn1
Cc1c[nH+]c(N2CCC[C@H](c3cc(=O)[nH]cn3)C2)nc1N(C)C O=c1cc(nc[nH]1)[*:1] Cc1c[nH+]c(nc1N(C)C)N1CCC[C@H](C1)[*:1]
COCCOc1cccc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)c1 COCC[*:1] Cc1cn(nc1NC(=O)c1cccc(c1)O[*:1])-c1ccccc1Cl
COCCOc1cccc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)c1 COCCO[*:1] Cc1cn(nc1NC(=O)c1cccc(c1)[*:1])-c1ccccc1Cl
COCCOc1cccc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)c1 Clc1ccccc1[*:1] COCCOc1cccc(c1)C(=O)Nc1nn(cc1C)[*:1]
COCCOc1cccc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)c1 COC[*:1] Cc1cn(nc1NC(=O)c1cccc(c1)OC[*:1])-c1ccccc1Cl
CCCOCc1ccccc1CNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 CCC[*:1] O=C(NCc1ccccc1CO[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
CCCOCc1ccccc1CNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 CCCOC[*:1] O=C(NCc1ccccc1[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
CCCOCc1ccccc1CNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 CCCO[*:1] O=C(NCc1ccccc1C[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCCN(C(N)=O)C1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)[C@@H]1CCCN(C1)C(N)=O)[*:1]
CC(C)OC(=O)c1ccc(OCc2ncoc2C(C)C)cc1 CC(C)[*:1] CC(C)c1ocnc1COc1ccc(cc1)C(=O)O[*:1]
CC(C)OC(=O)c1ccc(OCc2ncoc2C(C)C)cc1 CC(C)OC(=O)[*:1] CC(C)c1ocnc1COc1ccc(cc1)[*:1]
CC(C)OC(=O)c1ccc(OCc2ncoc2C(C)C)cc1 CC(C)[*:1] CC(C)OC(=O)c1ccc(cc1)OCc1ncoc1[*:1]
COC(=O)[C@H]1C[C@H](N(C)C(=O)OC(C)(C)C)CC[NH2+]1 COC(=O)[*:1] CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH2+][C@H](C1)[*:1]
COC(=O)[C@H]1C[C@H](N(C)C(=O)OC(C)(C)C)CC[NH2+]1 CC(C)(C)[*:1] COC(=O)[C@H]1C[C@@H](CC[NH2+]1)N(C)C(=O)O[*:1]
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)cc1)N1C(=O)CCC1=O Brc1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1)N(C[*:1])N1C(=O)CCC1=O
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)cc1)N1C(=O)CCC1=O Brc1ccc(cc1)C[*:1] O=C1CCC(=O)N1N(C(=O)c1ccc(Cl)cc1)[*:1]
O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)cc1)N1C(=O)CCC1=O Clc1ccc(cc1)[*:1] O=C1CCC(=O)N1N(Cc1ccc(Br)cc1)C(=O)[*:1]
CS[C@@H](C)C(=O)N1CCCc2cc(C)cc(C)c21 CS[C@@H](C)[*:1] Cc1cc(C)c2c(c1)CCCN2C(=O)[*:1]
C=CC/N=C(\O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 Cc1ccc(o1)[*:1] C=CC/N=C(\O)COC(=O)c1cc(nc2ccccc12)[*:1]
C=CC/N=C(\O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 C=CC[*:1] Cc1ccc(o1)-c1cc(C(=O)OCC(O)=N[*:1])c2ccccc2n1
NC(=O)[C@H]1CCCN(c2ccc(C(=O)N3CCCCCCC3)cc2)C1 NC(=O)[*:1] O=C(c1ccc(cc1)N1CCC[C@@H](C1)[*:1])N1CCCCCCC1
Cc1cccc(C2(CNC(=O)c3cn(CC(N)=O)nn3)CCCCC2)c1 NC(=O)C[*:1] Cc1cccc(c1)C1(CCCCC1)CNC(=O)c1cn(nn1)[*:1]
Cc1cccc(C2(CNC(=O)c3cn(CC(N)=O)nn3)CCCCC2)c1 NC(=O)[*:1] Cc1cccc(c1)C1(CCCCC1)CNC(=O)c1cn(C[*:1])nn1
Cc1cccc(C2(CNC(=O)c3cn(CC(N)=O)nn3)CCCCC2)c1 Cc1cccc(c1)[*:1] NC(=O)Cn1cc(nn1)C(=O)NCC1(CCCCC1)[*:1]
CC(C)[C@@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[*:1]
CC(C)[C@@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccn1 CC(C)[*:1] O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N[C@@H](c1ccccn1)[*:1]
O=C(NC[C@H](O)COCC1CC1)c1ccc(F)cc1Cl C1CC1COC[*:1] O=C(NC[C@H](O)[*:1])c1ccc(F)cc1Cl
O=C(NC[C@H](O)COCC1CC1)c1ccc(F)cc1Cl C1CC1[*:1] O=C(NC[C@H](O)COC[*:1])c1ccc(F)cc1Cl
O=C(NC[C@H](O)COCC1CC1)c1ccc(F)cc1Cl C1CC1CO[*:1] O=C(NC[C@H](O)C[*:1])c1ccc(F)cc1Cl
O=C(NC[C@H](O)COCC1CC1)c1ccc(F)cc1Cl C1CC1C[*:1] O=C(NC[C@H](O)CO[*:1])c1ccc(F)cc1Cl
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H]3CCCc4ccccc43)o2)c1 CCN(CC)S(=O)(=O)[*:1] c1cc(cc(c1)[*:1])-c1nnc(o1)S[C@H]1CCCc2ccccc21
Cc1cccc(C)c1C[NH2+]CCCC(=O)N1CCc2ccccc2C1 Cc1cccc(C)c1[*:1] O=C(CCC[NH2+]C[*:1])N1CCc2ccccc2C1
CSc1ncc(C(=O)N2CCC(NC(N)=O)CC2)n1-c1ccccc1 c1ccc(cc1)[*:1] CSc1ncc(C(=O)N2CCC(CC2)NC(N)=O)n1[*:1]
CSc1ncc(C(=O)N2CCC(NC(N)=O)CC2)n1-c1ccccc1 NC(=O)N[*:1] CSc1ncc(C(=O)N2CCC(CC2)[*:1])n1-c1ccccc1
CC[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1ccc(=O)n(C)n1)[*:1]
C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 N#Cc1ccc(cc1)[*:1] C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)[*:1])[C@H](C)C1
CCCc1[nH]nc2c1[C@@]1(C(=O)N(CCC)c3ccccc31)C(C#N)=C(N)O2 CCC[*:1] CCCc1[nH]nc2OC(N)=C(C#N)[C@]3(C(=O)N(c4ccccc43)[*:1])c21
CCCc1[nH]nc2c1[C@@]1(C(=O)N(CCC)c3ccccc31)C(C#N)=C(N)O2 CCC[*:1] CCCN1C(=O)[C@]2(C(C#N)=C(N)Oc3n[nH]c(c32)[*:1])c2ccccc21
CC(C)[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] CC(C)[C@@H](Sc1nnc(o1)-c1cc2C[C@H](C)CCc2s1)[*:1]
CC(C)[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)NC(N)=O CC(C)[*:1] C[C@@H]1CCc2sc(cc2C1)-c1nnc(o1)S[C@@H](C(=O)NC(N)=O)[*:1]
CC(C)c1nc(CN(CCO)CC(F)(F)F)cs1 FC(F)(F)C[*:1] CC(C)c1nc(cs1)CN(CCO)[*:1]
CC(C)c1nc(CN(CCO)CC(F)(F)F)cs1 CC(C)[*:1] OCCN(Cc1csc(n1)[*:1])CC(F)(F)F
CC(C)c1nc(CN(CCO)CC(F)(F)F)cs1 FC(F)(F)[*:1] CC(C)c1nc(cs1)CN(CCO)C[*:1]
CC(C)c1nc(CN(CCO)CC(F)(F)F)cs1 OCC[*:1] CC(C)c1nc(cs1)CN(CC(F)(F)F)[*:1]
COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 COC(=O)[*:1] CC1NC(=O)C[C@H](C(=O)Nc2cccc(c2)C(F)(F)F)C=1[*:1]
COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cccc(c1)[*:1]
C[C@H](CC(=O)OCc1nccn1C)n1cccc1 c1ccn(c1)[*:1] C[C@H](CC(=O)OCc1nccn1C)[*:1]
C[C@H](CC(=O)OCc1nccn1C)n1cccc1 Cn1ccnc1[*:1] C[C@H](CC(=O)OC[*:1])n1cccc1
Cn1c(CCc2cccc(NC(=O)CN3C(=O)COc4ccc(Cl)cc43)c2)nc2ccccc21 Cn1c(C[*:1])nc2ccccc21 O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc(c1)C[*:1]
Cn1c(CCc2cccc(NC(=O)CN3C(=O)COc4ccc(Cl)cc43)c2)nc2ccccc21 Cn1c(nc2ccccc21)[*:1] O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc(c1)CC[*:1]
C#CCn1/c(=N\C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc2cc(F)ccc21 C#CC[*:1] COc1cc(C(=O)/N=c2/sc3cc(F)ccc3n2[*:1])c(cc1OC)[N+](=O)[O-]
C#CCn1/c(=N\C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc2cc(F)ccc21 O=[N+]([O-])[*:1] C#CCn1/c(=N\C(=O)c2cc(OC)c(cc2[*:1])OC)sc2cc(F)ccc21
C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(N)s1 NC(=O)[*:1] C[C@H]1CC[C@@H](CN1Cc1cnc(N)s1)[*:1]
Cc1cncc(NC(=O)C(=O)NCc2ccc(Br)cc2)c1 Cc1cncc(c1)[*:1] O=C(NCc1ccc(Br)cc1)C(=O)N[*:1]
Cc1cncc(NC(=O)C(=O)NCc2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)C(=O)NC[*:1]
CC[C@@H]1CN(C(=O)c2ccc(O)cc2)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H]1CN(CCC(=O)N1[*:1])C(=O)c1ccc(O)cc1
CC[C@@H]1CN(C(=O)c2ccc(O)cc2)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CCC(=O)N1C[*:1])C(=O)c1ccc(O)cc1
CC[C@@H]1CN(C(=O)c2ccc(O)cc2)CCC(=O)N1Cc1ccccc1 Oc1ccc(cc1)[*:1] CC[C@@H]1CN(CCC(=O)N1Cc1ccccc1)C(=O)[*:1]
O=C(NC[C@H](O)c1ccccc1F)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 O[C@H](c1ccccc1F)[*:1] O=C(NC[*:1])N[C@H](c1ccc2OCCOc2c1)C1CC1
O=C(NC[C@H](O)c1ccccc1F)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 Fc1ccccc1[*:1] O=C(NC[C@H](O)[*:1])N[C@H](c1ccc2OCCOc2c1)C1CC1
O=C(NC[C@H](O)c1ccccc1F)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] O=C(NC[C@H](O)c1ccccc1F)N[C@H](c1ccc2OCCOc2c1)[*:1]
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 CN(Cc1cnn(c1)Cc1ccccc1)C(=O)C1CCN(CC1)C(=O)[*:1]
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)C[*:1] CN(Cc1cnn(c1)[*:1])C(=O)C1CCN(CC1)C(=O)/C=C/c1ccccc1
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)Cc1ccccc1)C(=O)C1CCN(CC1)C(=O)C=C[*:1]
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)C[*:1])C(=O)C1CCN(CC1)C(=O)/C=C/c1ccccc1
C[C@@H]1CN(Cc2csc(NC(=O)CCCn3ccnn3)n2)C[C@@H](C)O1 c1cn(CC[*:1])nn1 C[C@@H]1CN(Cc2csc(n2)NC(=O)C[*:1])C[C@@H](C)O1
C[C@@H]1CN(Cc2csc(NC(=O)CCCn3ccnn3)n2)C[C@@H](C)O1 c1cn(CCC[*:1])nn1 C[C@@H]1CN(Cc2csc(n2)NC(=O)[*:1])C[C@@H](C)O1
C[C@@H]1CN(Cc2csc(NC(=O)CCCn3ccnn3)n2)C[C@@H](C)O1 c1cn(nn1)[*:1] C[C@@H]1CN(Cc2csc(n2)NC(=O)CCC[*:1])C[C@@H](C)O1
C[C@@H]1CN(Cc2csc(NC(=O)CCCn3ccnn3)n2)C[C@@H](C)O1 c1cn(C[*:1])nn1 C[C@@H]1CN(Cc2csc(n2)NC(=O)CC[*:1])C[C@@H](C)O1
CCOc1ccccc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O CCOc1ccccc1[*:1] O=C1C[C@@H](Cc2[nH]c(=O)c(cc21)C(=O)N[*:1])c1ccccc1
CCOc1ccccc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O CCO[*:1] O=C1C[C@@H](Cc2[nH]c(=O)c(cc21)C(=O)Nc1ccccc1[*:1])c1ccccc1
CCOc1ccccc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)c1cc2C(=O)C[C@H](Cc2[nH]c1=O)[*:1]
CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)s1 CC(=O)c1ccc(s1)[*:1] O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[*:1]
CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)s1 CC(=O)[*:1] O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(s1)[*:1]
CN(Cc1ccccc1)C(=O)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)SC[*:1] CN(Cc1ccccc1)C(=O)c1ccc(cc1)[*:1]
CN(Cc1ccccc1)C(=O)c1ccc(CSc2ncn[nH]2)cc1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccc(cc1)CSc1ncn[nH]1)[*:1]
CN(Cc1ccccc1)C(=O)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)[*:1] CN(Cc1ccccc1)C(=O)c1ccc(cc1)CS[*:1]
CN(Cc1ccccc1)C(=O)c1ccc(CSc2ncn[nH]2)cc1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)CSc1ncn[nH]1
CN(Cc1ccccc1)C(=O)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)S[*:1] CN(Cc1ccccc1)C(=O)c1ccc(cc1)C[*:1]
Cc1ccc(Sc2ccc3nn(CC(=O)NC(C)C)c(=O)n3n2)cc1 CC(C)NC(=O)C[*:1] Cc1ccc(cc1)Sc1ccc2nn(c(=O)n2n1)[*:1]
Cc1ccc(Sc2ccc3nn(CC(=O)NC(C)C)c(=O)n3n2)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)Cn1nc2ccc(nn2c1=O)S[*:1]
Cc1ccc(Sc2ccc3nn(CC(=O)NC(C)C)c(=O)n3n2)cc1 CC(C)[*:1] Cc1ccc(cc1)Sc1ccc2nn(CC(=O)N[*:1])c(=O)n2n1
Cc1ccc(Sc2ccc3nn(CC(=O)NC(C)C)c(=O)n3n2)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)Sc1ccc2nn(C[*:1])c(=O)n2n1
Cc1ccc(Sc2ccc3nn(CC(=O)NC(C)C)c(=O)n3n2)cc1 Cc1ccc(cc1)S[*:1] CC(C)NC(=O)Cn1nc2ccc(nn2c1=O)[*:1]
CNC(=O)NCC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C CNC(=O)NC[*:1] Cc1cc(ccc1NC(=O)[*:1])C(=O)N1CCC(C)CC1
CNC(=O)NCC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C CNC(=O)N[*:1] Cc1cc(ccc1NC(=O)C[*:1])C(=O)N1CCC(C)CC1
O=C([O-])c1nc2c(F)cccc2s1 O=C([O-])[*:1] Fc1cccc2sc(nc12)[*:1]
Nc1nnc(CNC(=O)C(Cl)(Cl)Cl)s1 ClC(Cl)(Cl)[*:1] Nc1nnc(CNC(=O)[*:1])s1
CSc1ccc(/C=N\NC(=O)CC2(C)OCCO2)cc1 CC1(OCCO1)[*:1] CSc1ccc(/C=N\NC(=O)C[*:1])cc1
COC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 COC(=O)[*:1] O=C1C[C@H](CN1c1cccc(c1)C(F)(F)F)[*:1]
COC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] COC(=O)[C@@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
Cc1nc(C(=O)NC2C(C)(C)C([NH3+])C2(C)C)n[nH]1 Cc1nc(n[nH]1)[*:1] CC1(C)C([NH3+])C(C)(C)C1NC(=O)[*:1]
Cn1c(CCNc2ccc([N+](=O)[O-])cc2F)nc2ccc(F)cc21 O=[N+]([O-])[*:1] Cn1c(CCNc2ccc(cc2F)[*:1])nc2ccc(F)cc21
COc1c(C)cccc1C1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1 O=[N+]([O-])[*:1] COc1c(C)cccc1C1=N/C(=C\c2ccc(cc2)[*:1])C(=O)O1
Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)N[*:1]
Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccccc1Cl Fc1ccc(cc1)[*:1] Cn1cc2c(n1)c(=O)n(C[*:1])c(=O)n2CC(=O)Nc1ccccc1Cl
Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccccc1Cl O=C(Nc1ccccc1Cl)[*:1] Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2C[*:1]
Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccccc1Cl Fc1ccc(cc1)C[*:1] Cn1cc2c(n1)c(=O)n(c(=O)n2CC(=O)Nc1ccccc1Cl)[*:1]
CSc1ccccc1/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O CSc1ccccc1[*:1] O=C1NC(=O)N(C(=O)[C@@H]1C=N[*:1])c1ccc(F)cc1
CSc1ccccc1/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] CSc1ccccc1/N=C/[C@@H]1C(=O)NC(=O)N(C1=O)[*:1]
CCCCN(C(=O)c1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCN(C(=O)c1cc(F)cc(F)c1)[*:1]
CCCCN(C(=O)c1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(c1cc(F)cc(F)c1)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)c1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(c1cc(F)cc(F)c1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nnc(NCC2(c3cccc(F)c3)CC2)s1 Cc1nnc(s1)[*:1] Fc1cccc(c1)C1(CC1)CN[*:1]
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CC[NH+](Cc1ccc(C(C)C)cc1)CC2 O=C(NCc1ccsc1)[*:1] COc1cc(=O)n2CC[NH+](CCc2c1[*:1])Cc1ccc(cc1)C(C)C
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CC[NH+](Cc1ccc(C(C)C)cc1)CC2 CC(C)c1ccc(cc1)C[*:1] COc1cc(=O)n2CC[NH+](CCc2c1C(=O)NCc1ccsc1)[*:1]
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CC[NH+](Cc1ccc(C(C)C)cc1)CC2 c1cc(cs1)C[*:1] COc1cc(=O)n2CC[NH+](CCc2c1C(=O)N[*:1])Cc1ccc(cc1)C(C)C
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CC[NH+](Cc1ccc(C(C)C)cc1)CC2 CC(C)c1ccc(cc1)[*:1] COc1cc(=O)n2CC[NH+](CCc2c1C(=O)NCc1ccsc1)C[*:1]
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CC[NH+](Cc1ccc(C(C)C)cc1)CC2 CC(C)[*:1] COc1cc(=O)n2CC[NH+](CCc2c1C(=O)NCc1ccsc1)Cc1ccc(cc1)[*:1]
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CC[NH+](Cc1ccc(C(C)C)cc1)CC2 c1cc(cs1)[*:1] COc1cc(=O)n2CC[NH+](CCc2c1C(=O)NC[*:1])Cc1ccc(cc1)C(C)C
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2ccccc2Cl)C1 Clc1ccccc1[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NNC(=O)[*:1]
N#Cc1cc(Cl)ccc1N1CCC[C@H](CC(N)=O)C1 NC(=O)[*:1] N#Cc1cc(Cl)ccc1N1CCC[C@@H](C1)C[*:1]
N#Cc1cc(Cl)ccc1N1CCC[C@H](CC(N)=O)C1 NC(=O)C[*:1] N#Cc1cc(Cl)ccc1N1CCC[C@H](C1)[*:1]
CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1c[nH]nc1C(C)(C)C CC(C)(C)OC(=O)[*:1] CC(C)(C)c1n[nH]cc1CN1CCC[C@H]1[*:1]
CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1c[nH]nc1C(C)(C)C CC(C)(C)[*:1] CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1c[nH]nc1[*:1]
CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1c[nH]nc1C(C)(C)C CC(C)(C)[*:1] CC(C)(C)c1n[nH]cc1CN1CCC[C@H]1C(=O)O[*:1]
CCc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3O)cn2)c1 CCc1cccc(c1)[*:1] O=C(Nc1ccc(nc1)O[*:1])N[C@@H]1CCCC[C@@H]1O
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)S[*:1] Cc1ccc(cc1NC(=O)[C@H](c1ccccc1)[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[C@H](Sc1ccccc1)[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[C@H](S[*:1])c1ccccc1)S(=O)(=O)N1CCOCC1
C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nc(C3CC3)no2)C1=O C1CC1c1noc(n1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc2CCCc2c1
C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nc(C3CC3)no2)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(Cc2nc(no2)[*:1])C1=O)c1ccc2CCCc2c1
c1ccc(-c2cnc(CN[C@H](c3ccccc3)c3ccncc3)s2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)[C@@H](NCc1ncc(s1)[*:1])c1ccncc1
c1ccc(-c2cnc(CN[C@H](c3ccccc3)c3ccncc3)s2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1cnc(CN[C@H](c2ccncc2)[*:1])s1
c1ccc(-c2cnc(CN[C@H](c3ccccc3)c3ccncc3)s2)cc1 c1cc(ccn1)[*:1] c1ccc(cc1)-c1cnc(CN[C@H](c2ccccc2)[*:1])s1
COc1ccc(C)cc1NC(=O)C[NH+](C)Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1ccc(C)cc1NC(=O)C[NH+](C)C[*:1]
O=C(Cc1ccccc1)Nc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)NCc1ccc(cc1)C(=O)[O-]
O=C(Cc1ccccc1)Nc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 O=C([O-])[*:1] O=C(Cc1ccccc1)Nc1ccc(cc1)C(=O)NCc1ccc(cc1)[*:1]
O=C(Cc1ccccc1)Nc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 c1ccc(cc1)C[*:1] O=C([O-])c1ccc(cc1)CNC(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(Cc1ccccc1)Nc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C(Cc1ccccc1)Nc1ccc(cc1)C(=O)NC[*:1]
Cc1ccc(N2CCC(C(=O)NCc3ccc[nH]3)CC2)[nH+]c1 c1c[nH]c(c1)[*:1] Cc1ccc([nH+]c1)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccc(N2CCC(C(=O)NCc3ccc[nH]3)CC2)[nH+]c1 c1c[nH]c(c1)C[*:1] Cc1ccc([nH+]c1)N1CCC(CC1)C(=O)N[*:1]
COC(=O)c1cccc(NC(=O)CCn2[nH]c(=O)ccc2=O)c1 COC(=O)[*:1] O=C(CCn1[nH]c(=O)ccc1=O)Nc1cccc(c1)[*:1]
O=C([O-])[C@@H]1CCCCC[C@H]1NC(=O)N1CCS(=O)(=O)CC1 O=C([O-])[*:1] O=C(N[C@@H]1CCCCC[C@H]1[*:1])N1CCS(=O)(=O)CC1
C[C@@H]1C[C@@H](C)CC(C[NH3+])(N(C)CCOCC2CC2)C1 C1CC1COC[*:1] C[C@@H]1C[C@@H](C)CC(C[NH3+])(C1)N(C)C[*:1]
C[C@@H]1C[C@@H](C)CC(C[NH3+])(N(C)CCOCC2CC2)C1 C1CC1C[*:1] C[C@@H]1C[C@@H](C)CC(C[NH3+])(C1)N(C)CCO[*:1]
C[C@@H]1C[C@@H](C)CC(C[NH3+])(N(C)CCOCC2CC2)C1 C1CC1CO[*:1] C[C@@H]1C[C@@H](C)CC(C[NH3+])(C1)N(C)CC[*:1]
C[C@@H]1C[C@@H](C)CC(C[NH3+])(N(C)CCOCC2CC2)C1 C1CC1[*:1] C[C@@H]1C[C@@H](C)CC(C[NH3+])(C1)N(C)CCOC[*:1]
COc1cc(NC(=O)[C@@H]2C[C@H](c3cccc(C)c3)CN(C(=O)c3ccccc3)C2)cc(OC)c1 Cc1cccc(c1)[*:1] COc1cc(cc(c1)OC)NC(=O)[C@@H]1C[C@H](CN(C1)C(=O)c1ccccc1)[*:1]
COc1cc(NC(=O)[C@@H]2C[C@H](c3cccc(C)c3)CN(C(=O)c3ccccc3)C2)cc(OC)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)[C@@H]1C[C@@H](CN(C1)C(=O)[*:1])c1cccc(C)c1
COc1cc(NC(=O)[C@@H]2C[C@H](c3cccc(C)c3)CN(C(=O)c3ccccc3)C2)cc(OC)c1 COc1cc(cc(c1)[*:1])OC Cc1cccc(c1)[C@H]1C[C@H](CN(C1)C(=O)c1ccccc1)C(=O)N[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[C@H](C(=O)NC1CC1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 O=C(NC1CC1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[C@H](c1ccccc1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 C1CC1[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[C@H](C(=O)N[*:1])c1ccccc1
Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 Cc1noc(C)c1[*:1] O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
COCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O COCCNC(=O)[*:1] O=C1c2ccc(cc2C(=O)N1C1CCCCC1)[*:1]
COCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O COCC[*:1] O=C(N[*:1])c1ccc2C(=O)N(C(=O)c2c1)C1CCCCC1
COCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O COC[*:1] O=C(NC[*:1])c1ccc2C(=O)N(C(=O)c2c1)C1CCCCC1
COCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O C1CCC(CC1)[*:1] COCCNC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C(Cc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] O=C(Cc1ccccc1)Nc1nnc(s1)[*:1]
O=C(Cc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1nnc(s1)-c1ccc(Cl)cc1
O=C(Cc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 c1ccc(cc1)C[*:1] O=C(Nc1nnc(s1)-c1ccc(Cl)cc1)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(-c2ncc([C@@H]3N[C@H](C(=O)[O-])C(C)(C)S3)s2)c1 Cc1cccc(c1)[*:1] CC1(C)S[C@@H](N[C@@H]1C(=O)[O-])c1cnc(s1)[*:1]
Cc1cccc(-c2ncc([C@@H]3N[C@H](C(=O)[O-])C(C)(C)S3)s2)c1 O=C([O-])[*:1] Cc1cccc(c1)-c1ncc(s1)[C@@H]1N[C@H](C(C)(C)S1)[*:1]
O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)NCc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(F)c(Br)c1)NC[*:1]
O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)NCc1ccccc1F Fc1ccccc1C[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(F)c(Br)c1)N[*:1]
O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)NCc1ccccc1F Fc1ccc(cc1Br)[*:1] O=C(Cn1cccc1-c1nc(no1)[*:1])NCc1ccccc1F
CCC[C@@H]1C[C@H]1NC(=O)c1c(C)oc(C)c1Br CCC[*:1] Cc1oc(C)c(C(=O)N[C@@H]2C[C@H]2[*:1])c1Br
Cc1ccc(NC(=O)c2cccn2CC(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)NC(=O)c1cccn1C[*:1]
Cc1ccc(NC(=O)c2cccn2CC(=O)[O-])cc1 O=C([O-])C[*:1] Cc1ccc(cc1)NC(=O)c1cccn1[*:1]
Cc1ccc(CCCCC(=O)Nc2cn(C)c(=O)cc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(=O)n(C)cc1NC(=O)CCCC[*:1]
CC(C)CCN1C[C@H](C(=O)NC[C@H]2CCCO2)CC1=O CC(C)CC[*:1] O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)CCN1C[C@H](C(=O)NC[C@H]2CCCO2)CC1=O CC(C)C[*:1] O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(C1)C[*:1]
CC(C)CCN1C[C@H](C(=O)NC[C@H]2CCCO2)CC1=O C1CO[C@H](C1)C[*:1] CC(C)CCN1C[C@@H](CC1=O)C(=O)N[*:1]
CC(C)CCN1C[C@H](C(=O)NC[C@H]2CCCO2)CC1=O C1CO[C@H](C1)[*:1] CC(C)CCN1C[C@@H](CC1=O)C(=O)NC[*:1]
CC(C)CCN1C[C@H](C(=O)NC[C@H]2CCCO2)CC1=O CC(C)[*:1] O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(CC[*:1])C1
CC(C)(C)NC(=O)CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 CC(C)(C)[*:1] O=C(CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)N[*:1]
CC(C)(C)NC(=O)CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 CC(C)(C)NC(=O)[*:1] O=C(NC[*:1])Nc1ccc2c(c1)Cc1ccccc1-2
CC(C)(C)NC(=O)CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 CC(C)(C)NC(=O)C[*:1] O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N[*:1]
CCO[C@@H](C)C(=O)N(c1ccccc1)c1nc(C)cs1 CCO[*:1] Cc1csc(n1)N(C(=O)[C@H](C)[*:1])c1ccccc1
CCO[C@@H](C)C(=O)N(c1ccccc1)c1nc(C)cs1 c1ccc(cc1)[*:1] CCO[C@@H](C)C(=O)N(c1nc(C)cs1)[*:1]
CCO[C@@H](C)C(=O)N(c1ccccc1)c1nc(C)cs1 Cc1csc(n1)[*:1] CCO[C@@H](C)C(=O)N(c1ccccc1)[*:1]
c1cnc(Sc2nnc(C3CC3)s2)nc1 C1CC1[*:1] c1cnc(nc1)Sc1nnc(s1)[*:1]
N#Cc1ccc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] N#Cc1ccc(cc1)CNC(=O)N(Cc1ccco1)[*:1]
N#Cc1ccc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 c1coc(c1)[*:1] N#Cc1ccc(cc1)CNC(=O)N(C[C@H]1CCCO1)C[*:1]
N#Cc1ccc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NC[*:1])N(Cc1ccco1)C[C@H]1CCCO1
N#Cc1ccc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 c1coc(c1)C[*:1] N#Cc1ccc(cc1)CNC(=O)N(C[C@H]1CCCO1)[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(CO)cc2)c1 CC(C)[*:1] O=C([O-])c1cc(cc(c1)S(=O)(=O)N[*:1])-c1ccc(cc1)CO
CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(CO)cc2)c1 CC(C)NS(=O)(=O)[*:1] O=C([O-])c1cc(cc(c1)[*:1])-c1ccc(cc1)CO
CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(CO)cc2)c1 O=C([O-])[*:1] CC(C)NS(=O)(=O)c1cc(cc(c1)[*:1])-c1ccc(cc1)CO
CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(CO)cc2)c1 OCc1ccc(cc1)[*:1] CC(C)NS(=O)(=O)c1cc(cc(c1)[*:1])C(=O)[O-]
COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cnn(C)c3C)c(=O)n12 Cc1c(cnn1C)[*:1] COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1sc(=C[*:1])c(=O)n12
COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cnn(C)c3C)c(=O)n12 COC(=O)[*:1] Cc1c(/C=c2\sc3=N[C@]4(C)Oc5ccccc5[C@@H]([C@@H]4[*:1])n3c2=O)cnn1C
Cc1ccc(C[C@H](NC(=O)N(C)C[C@@H](C)O)c2ccccn2)cc1 C[C@@H](O)[*:1] Cc1ccc(cc1)C[C@H](NC(=O)N(C)C[*:1])c1ccccn1
Cc1ccc(C[C@H](NC(=O)N(C)C[C@@H](C)O)c2ccccn2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](O)CN(C)C(=O)N[C@@H](C[*:1])c1ccccn1
Cc1ccc(C[C@H](NC(=O)N(C)C[C@@H](C)O)c2ccccn2)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](O)CN(C)C(=O)N[C@H](c1ccccn1)[*:1]
Cc1ccc(C[C@H](NC(=O)N(C)C[C@@H](C)O)c2ccccn2)cc1 C[C@@H](O)C[*:1] Cc1ccc(cc1)C[C@H](NC(=O)N(C)[*:1])c1ccccn1
Cc1ccc(C[C@H](NC(=O)N(C)C[C@@H](C)O)c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)C[C@H](NC(=O)N(C)C[C@@H](C)O)[*:1]
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1 Clc1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)NCc1ccco1
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[*:1]
O=C(CO)N1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1 OCC[*:1] O=C(CO)N1CCN(Cc2ccc(F)c(F)c2)[C@@H](C1)[*:1]
O=C(c1cccnc1Cl)N(CC1CCC1)c1ccccc1 Clc1ncccc1[*:1] O=C(N(CC1CCC1)c1ccccc1)[*:1]
O=C(c1cccnc1Cl)N(CC1CCC1)c1ccccc1 C1CC(C1)C[*:1] O=C(c1cccnc1Cl)N(c1ccccc1)[*:1]
O=C(c1cccnc1Cl)N(CC1CCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1cccnc1Cl)N(CC1CCC1)[*:1]
O=C(c1cccnc1Cl)N(CC1CCC1)c1ccccc1 C1CC(C1)[*:1] O=C(c1cccnc1Cl)N(C[*:1])c1ccccc1
Cn1nccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 Clc1ccc(cc1)O[*:1] Cn1nccc1CNC(=O)C(=O)Nc1ccc(nc1)[*:1]
Cn1nccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 Cn1nccc1[*:1] O=C(NC[*:1])C(=O)Nc1ccc(nc1)Oc1ccc(Cl)cc1
Cn1nccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 Clc1ccc(cc1)[*:1] Cn1nccc1CNC(=O)C(=O)Nc1ccc(nc1)O[*:1]
Cn1nccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 Cn1nccc1C[*:1] O=C(Nc1ccc(nc1)Oc1ccc(Cl)cc1)C(=O)N[*:1]
CC(C)[C@H]1CSC(N[C@H]2CC[C@H](C)C[C@H]2C)=[NH+]1 CC(C)[*:1] C[C@H]1CC[C@H](NC2=[NH+][C@H](CS2)[*:1])[C@H](C)C1
COc1ccc(Cl)cc1NC(=O)CCCn1nc(-n2cccc2)c2c(C)cc(C)nc21 c1ccn(c1)[*:1] COc1ccc(Cl)cc1NC(=O)CCCn1nc(c2c(C)cc(C)nc21)[*:1]
COc1ccc(Cl)cc1NC(=O)CCCn1nc(-n2cccc2)c2c(C)cc(C)nc21 COc1ccc(Cl)cc1[*:1] Cc1cc(C)c2c(nn(CCCC(=O)N[*:1])c2n1)-n1cccc1
O=C(/C=C/c1ccsc1)N1CCC(Nc2cccnc2)CC1 c1cc(cs1)[*:1] O=C(C=C[*:1])N1CCC(CC1)Nc1cccnc1
O=C(/C=C/c1ccsc1)N1CCC(Nc2cccnc2)CC1 c1cncc(c1)[*:1] O=C(/C=C/c1ccsc1)N1CCC(CC1)N[*:1]
O=C(/C=C/c1ccsc1)N1CCC(Nc2cccnc2)CC1 c1cncc(c1)N[*:1] O=C(/C=C/c1ccsc1)N1CCC(CC1)[*:1]
O=C(/C=C/c1ccsc1)N1CCC(Nc2cccnc2)CC1 C(=C[*:1])c1ccsc1 O=C(N1CCC(CC1)Nc1cccnc1)[*:1]
CC(C)C[C@H]([NH3+])c1nc(-c2ncc[nH]2)no1 CC(C)[*:1] [NH3+][C@@H](C[*:1])c1nc(no1)-c1ncc[nH]1
CC(C)C[C@H]([NH3+])c1nc(-c2ncc[nH]2)no1 CC(C)C[*:1] [NH3+][C@H](c1nc(no1)-c1ncc[nH]1)[*:1]
CC(C)C[C@H]([NH3+])c1nc(-c2ncc[nH]2)no1 c1c[nH]c(n1)[*:1] CC(C)C[C@H]([NH3+])c1nc(no1)[*:1]
C[C@@H](CCl)CS(=O)(=O)N(C)CCS(C)(=O)=O C[C@@H](CCl)[*:1] CN(CCS(C)(=O)=O)S(=O)(=O)C[*:1]
C[C@@H](CCl)CS(=O)(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@@H](CCl)CS(=O)(=O)N(C)C[*:1]
C[C@@H](CCl)CS(=O)(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](CCl)CS(=O)(=O)N(C)CC[*:1]
C[C@@H](CCl)CS(=O)(=O)N(C)CCS(C)(=O)=O C[C@@H](CCl)C[*:1] CN(CCS(C)(=O)=O)S(=O)(=O)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2S1)/C(N)=N/O N/C(=N\O)[*:1] CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2S1)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2S1)/C(N)=N/O CC(C)[*:1] N/C(=N\O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2S1)[*:1]
CCOCCN(C)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C CCOCC[*:1] Cc1nnc(Sc2ccc(NC(=O)N(C)[*:1])c(C)c2)s1
CCOCCN(C)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C Cc1nnc(S[*:1])s1 CCOCCN(C)C(=O)Nc1ccc(cc1C)[*:1]
CCOCCN(C)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C Cc1nnc(s1)[*:1] CCOCCN(C)C(=O)Nc1ccc(cc1C)S[*:1]
CCOCCN(C)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C CCOC[*:1] Cc1nnc(Sc2ccc(NC(=O)N(C)C[*:1])c(C)c2)s1
CCOCCN(C)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C CCO[*:1] Cc1nnc(Sc2ccc(NC(=O)N(C)CC[*:1])c(C)c2)s1
O=C(c1ccc(C[S@@](=O)CC2CCOCC2)cc1)N1CCCC1 C1CC(CCO1)[*:1] O=C(c1ccc(cc1)C[S@@](=O)C[*:1])N1CCCC1
O=C(c1ccc(C[S@@](=O)CC2CCOCC2)cc1)N1CCCC1 C1CC(CCO1)C[*:1] O=C(c1ccc(cc1)C[S@@](=O)[*:1])N1CCCC1
O=C(c1ccc(C[S@@](=O)CC2CCOCC2)cc1)N1CCCC1 O=C(N1CCCC1)[*:1] O=[S@](Cc1ccc(cc1)[*:1])CC1CCOCC1
Cc1nc(C)c(-c2nnc(NC(=O)[C@@H]3CCC(=O)N3)o2)s1 O=C1CC[C@H](N1)[*:1] Cc1nc(C)c(s1)-c1nnc(NC(=O)[*:1])o1
Cc1nc(C)c(-c2nnc(NC(=O)[C@@H]3CCC(=O)N3)o2)s1 Cc1nc(C)c(s1)[*:1] O=C1CC[C@H](N1)C(=O)Nc1nnc(o1)[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](C)S(=O)(=O)Cc2ccccc2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccccc1CS(=O)(=O)[C@H](C)C(=O)N[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](C)S(=O)(=O)Cc2ccccc2C)c1 Cc1ccccc1C[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](C)S(=O)(=O)[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](C)S(=O)(=O)Cc2ccccc2C)c1 Cc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](C)S(=O)(=O)C[*:1]
CCN(Cc1cccc(C)n1)c1ccccc1CC[NH3+] [NH3+]CC[*:1] CCN(Cc1cccc(C)n1)c1ccccc1[*:1]
CC[C@@H](NC(=O)c1ccc(C)c(F)c1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NC(=O)c1ccc(C)c(F)c1)c1nc(cs1)[*:1]
COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(I)cc1 COC[*:1] C[C@H]([NH2+]CC[C@H](O)[*:1])c1ccc(I)cc1
COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(I)cc1 COC[C@@H](O)[*:1] C[C@H]([NH2+]CC[*:1])c1ccc(I)cc1
Cc1nc(-c2cccc(C(=O)N[C@@H](C#N)C(C)(C)C)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] CC(C)(C)[C@H](C#N)NC(=O)c1cccc(c1)[*:1]
Cc1nc(-c2cccc(C(=O)N[C@@H](C#N)C(C)(C)C)c2)n[nH]1 CC(C)(C)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)N[C@@H](C#N)[*:1]
COCCN1C[C@H](C(=O)Oc2cccc(C(C)(C)C)c2)CC1=O CC(C)(C)[*:1] COCCN1C[C@@H](CC1=O)C(=O)Oc1cccc(c1)[*:1]
COCCN1C[C@H](C(=O)Oc2cccc(C(C)(C)C)c2)CC1=O COCC[*:1] CC(C)(C)c1cccc(c1)OC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COCCN1C[C@H](C(=O)Oc2cccc(C(C)(C)C)c2)CC1=O COC[*:1] CC(C)(C)c1cccc(c1)OC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1sc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc23)c(C#N)c1C Fc1ccc(cc1)[*:1] Cc1sc(NC(=O)CSc2ncnc3c(nsc23)[*:1])c(C#N)c1C
Cc1sc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc23)c(C#N)c1C Cc1sc(c(C#N)c1C)[*:1] O=C(CSc1ncnc2c(nsc12)-c1ccc(F)cc1)N[*:1]
O=C(NNc1ccc(F)cc1)c1cc2ccc(Br)cc2[nH]1 Fc1ccc(cc1)[*:1] O=C(NN[*:1])c1cc2ccc(Br)cc2[nH]1
CC[C@H](C)C(=O)COc1ccc(C)cn1 CC[C@H](C)[*:1] Cc1ccc(nc1)OCC(=O)[*:1]
CC(C)CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
CC(C)CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 CC(C)CC(=O)N[*:1] O=S(=O)(c1ccccc1)N1CCCc2cc(ccc21)[*:1]
CC(C)CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 CC(C)[*:1] O=C(C[*:1])Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1
CC(C)CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 CC(C)C[*:1] O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)[*:1]
Cc1ccc(C(=O)NNC(=O)COc2ccccc2C#N)cc1C Cc1ccc(cc1C)[*:1] N#Cc1ccccc1OCC(=O)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)COc2ccccc2C#N)cc1C N#Cc1ccccc1[*:1] Cc1ccc(cc1C)C(=O)NNC(=O)CO[*:1]
[NH3+][C@@H]1CCCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)C1 Clc1cccc(c1)[*:1] [NH3+][C@@H]1CCCN(C1)c1nccn2nc(cc12)[*:1]
O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@H]1[C@@H]1CCC[C@@H]1O C1CO[C@@H](C1)[*:1] O=S(=O)(C[*:1])N1CCC[C@H]1[C@@H]1CCC[C@@H]1O
O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@H]1[C@@H]1CCC[C@@H]1O C1CO[C@@H](C1)C[*:1] O=S(=O)(N1CCC[C@H]1[C@@H]1CCC[C@@H]1O)[*:1]
O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@H]1[C@@H]1CCC[C@@H]1O O[C@H]1CCC[C@H]1[*:1] O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@@H]1[*:1]
C[C@@]1(CNC(=O)c2csc(S(N)(=O)=O)c2)CCCO1 NS(=O)(=O)[*:1] C[C@]1(CCCO1)CNC(=O)c1csc(c1)[*:1]
COc1ccccc1OCC#CCNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] COc1ccccc1OCC#CCNC(=O)[*:1]
O=C([O-])CC1(NC(=O)c2ccccc2[N+](=O)[O-])CCC1 O=[N+]([O-])[*:1] O=C([O-])CC1(CCC1)NC(=O)c1ccccc1[*:1]
O=C([O-])CC1(NC(=O)c2ccccc2[N+](=O)[O-])CCC1 O=C([O-])[*:1] O=C(NC1(CCC1)C[*:1])c1ccccc1[N+](=O)[O-]
O=C([O-])CC1(NC(=O)c2ccccc2[N+](=O)[O-])CCC1 O=C([O-])C[*:1] O=C(NC1(CCC1)[*:1])c1ccccc1[N+](=O)[O-]
CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1-c1ccco1 NC(=O)[*:1] CCn1c(nnc1-c1ccco1)SCC(=O)Nc1sc2CCCCc2c1[*:1]
CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1sc2CCCCc2c1C(N)=O
Cc1cccc(NC(=O)[C@H](C)[S@](=O)Cc2cn3ccccc3n2)c1C Cc1cccc(c1C)[*:1] C[C@@H](C(=O)N[*:1])[S@](=O)Cc1cn2ccccc2n1
C[C@@H](CC(F)(F)F)[NH2+]CCc1nc(-c2ccccn2)cs1 FC(F)(F)C[*:1] C[C@@H]([NH2+]CCc1nc(cs1)-c1ccccn1)[*:1]
C[C@@H](CC(F)(F)F)[NH2+]CCc1nc(-c2ccccn2)cs1 FC(F)(F)[*:1] C[C@@H](C[*:1])[NH2+]CCc1nc(cs1)-c1ccccn1
C[C@@H](CC(F)(F)F)[NH2+]CCc1nc(-c2ccccn2)cs1 c1ccc(nc1)[*:1] C[C@@H](CC(F)(F)F)[NH2+]CCc1nc(cs1)[*:1]
Cc1nc(CCNC(=O)Nc2ccc[nH+]c2N2CCCC2)cs1 C1CCN(C1)[*:1] Cc1nc(cs1)CCNC(=O)Nc1ccc[nH+]c1[*:1]
Cc1nc(CCNC(=O)Nc2ccc[nH+]c2N2CCCC2)cs1 Cc1nc(cs1)C[*:1] O=C(NC[*:1])Nc1ccc[nH+]c1N1CCCC1
Cc1nc(CCNC(=O)Nc2ccc[nH+]c2N2CCCC2)cs1 Cc1nc(cs1)[*:1] O=C(NCC[*:1])Nc1ccc[nH+]c1N1CCCC1
CCn1ccnc1/C=C/C(=O)N1CCC(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCn1ccnc1/C=C/C(=O)N1CCC(CC1)C(=O)[*:1]
CCn1ccnc1/C=C/C(=O)N1CCC(C(=O)c2ccccc2)CC1 O=C(c1ccccc1)[*:1] CCn1ccnc1/C=C/C(=O)N1CCC(CC1)[*:1]
CCn1ccnc1/C=C/C(=O)N1CCC(C(=O)c2ccccc2)CC1 CCn1ccnc1[*:1] O=C(c1ccccc1)C1CCN(CC1)C(=O)C=C[*:1]
O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 Clc1ccc(cc1)[*:1] O=C(NCCO[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1
O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 Clc1ccc(cc1)O[*:1] O=C(NCC[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1
O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 Clc1ccc(cc1)OC[*:1] O=C(NC[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1
O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)c(c1)[*:1]
Cc1cccc(C)c1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)Cn1c(=O)nc(c2cc(Cl)ccc21)[*:1]
Cc1cccc(C)c1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 Cc1cccc(C)c1[*:1] O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)N[*:1]
NC(=O)[C@H]1CN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)CCO1 Brc1cccc(c1)[*:1] NC(=O)[C@H]1CN(CCO1)C(=O)c1nn(c2CCCCc12)[*:1]
NC(=O)[C@H]1CN(C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)CCO1 NC(=O)[*:1] O=C(c1nn(-c2cccc(Br)c2)c2CCCCc12)N1CCO[C@H](C1)[*:1]
CCC[C@@H](C)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 CCC[*:1] C[C@@H](N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1)[*:1]
CCC[C@@H](C)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 Clc1ccc(cc1)[*:1] CCC[C@@H](C)N1CCN(CC1)C(=O)c1cc(n[nH]1)[*:1]
CCC[C@@H](C)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 CCC[C@@H](C)[*:1] O=C(c1cc(n[nH]1)-c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
COc1ccc(Cl)cc1NC(=O)CCNC(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)CCNC(=O)C=C[*:1]
COc1ccc(Cl)cc1NC(=O)CCNC(=O)/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 COc1ccc(Cl)cc1NC(=O)CCNC(=O)[*:1]
C[C@@H]([NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O)c1cncc(F)c1 Fc1cncc(c1)[*:1] C[C@@H]([NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O)[*:1]
C[C@@H]([NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O)c1cncc(F)c1 CS(=O)(=O)N[*:1] C[C@@H]([NH2+]C[C@H]1CCC[C@H]1[*:1])c1cncc(F)c1
COc1c(C)cc(CN(C)C(=O)c2ccc([S@](=O)C(C)C)cc2)cc1C CC(C)[*:1] COc1c(C)cc(cc1C)CN(C)C(=O)c1ccc(cc1)[S@](=O)[*:1]
COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(cc1)NC(=O)[*:1]
COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 O=C(N[*:1])c1cccs1 COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(cc1)[*:1]
COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 COc1c(C)cccc1[*:1] O=C(Nc1ccc(cc1)NC(=S)NC(=O)[*:1])c1cccs1
COc1cccc(-n2nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1C)NC(=O)c1nnn(c1C)[*:1]
COc1cccc(-n2nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1 Cc1ccc(cc1C)[*:1] COc1cccc(c1)-n1nnc(C(=O)N[*:1])c1C
CCCNC(=O)NC(=O)CN1C[C@H](CC)Oc2ccccc21 CCC[*:1] CC[C@H]1CN(CC(=O)NC(=O)N[*:1])c2ccccc2O1
O=C1CCCC2=C1[C@@H](c1cc(F)cc(F)c1)n1nc(SCc3ccc([N+](=O)[O-])cc3)nc1N2 O=[N+]([O-])c1ccc(cc1)C[*:1] O=C1CCCC2Nc3nc(nn3[C@@H](C=21)c1cc(F)cc(F)c1)S[*:1]
O=C1CCCC2=C1[C@@H](c1cc(F)cc(F)c1)n1nc(SCc3ccc([N+](=O)[O-])cc3)nc1N2 Fc1cc(F)cc(c1)[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)[*:1])SCc1ccc(cc1)[N+](=O)[O-]
O=C1CCCC2=C1[C@@H](c1cc(F)cc(F)c1)n1nc(SCc3ccc([N+](=O)[O-])cc3)nc1N2 O=[N+]([O-])[*:1] O=C1CCCC2Nc3nc(nn3[C@@H](C=21)c1cc(F)cc(F)c1)SCc1ccc(cc1)[*:1]
O=C1CCCC2=C1[C@@H](c1cc(F)cc(F)c1)n1nc(SCc3ccc([N+](=O)[O-])cc3)nc1N2 O=[N+]([O-])c1ccc(cc1)CS[*:1] O=C1CCCC2Nc3nc(nn3[C@@H](C=21)c1cc(F)cc(F)c1)[*:1]
O=C1CCCC2=C1[C@@H](c1cc(F)cc(F)c1)n1nc(SCc3ccc([N+](=O)[O-])cc3)nc1N2 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1CCCC2Nc3nc(nn3[C@@H](C=21)c1cc(F)cc(F)c1)SC[*:1]
N#Cc1ccccc1NC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] N#Cc1ccccc1NC(=O)c1cccc(c1)[*:1]
C[NH+](Cc1c[nH]nc1-c1cccnc1)CC1CCCC1 C1CCC(C1)[*:1] C[NH+](Cc1c[nH]nc1-c1cccnc1)C[*:1]
C[NH+](Cc1c[nH]nc1-c1cccnc1)CC1CCCC1 C1CCC(C1)C[*:1] C[NH+](Cc1c[nH]nc1-c1cccnc1)[*:1]
C[NH+](Cc1c[nH]nc1-c1cccnc1)CC1CCCC1 c1cncc(c1)[*:1] C[NH+](Cc1c[nH]nc1[*:1])CC1CCCC1
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C FC(F)(F)[*:1] COc1ccc(cc1C)S(=O)(=O)N(C)CC(=O)Nc1cc(ccc1Cl)[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C COc1ccc(cc1C)[*:1] CN(CC(=O)Nc1cc(ccc1Cl)C(F)(F)F)S(=O)(=O)[*:1]
C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(Nc1ccc(Cl)cc1)Nc1ccc(cc1)C(=O)N[*:1]
C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)Nc1ccc(Cl)cc1)[*:1]
C[C@H](NC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)N[*:1])c1ccccc1
CCCN(CCO)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 O=S(=O)(C1CCCC1)[*:1] CCCN(CCO)C(=O)Nc1ccc(cc1)[*:1]
CCCN(CCO)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] CCCN(CCO)C(=O)Nc1ccc(cc1)S(=O)(=O)[*:1]
CCCN(CCO)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)C1CCCC1)N(CCO)[*:1]
CCCN(CCO)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 OCC[*:1] CCCN(C(=O)Nc1ccc(cc1)S(=O)(=O)C1CCCC1)[*:1]
CC[NH+](Cc1ccc(C(=O)N(C)C)cc1)Cc1nc(C)no1 Cc1noc(C[*:1])n1 CC[NH+](Cc1ccc(cc1)C(=O)N(C)C)[*:1]
CC[NH+](Cc1ccc(C(=O)N(C)C)cc1)Cc1nc(C)no1 Cc1noc(n1)[*:1] CC[NH+](Cc1ccc(cc1)C(=O)N(C)C)C[*:1]
CC[NH+](Cc1ccc(C(=O)N(C)C)cc1)Cc1nc(C)no1 CN(C)C(=O)[*:1] CC[NH+](Cc1ccc(cc1)[*:1])Cc1nc(C)no1
Cn1ncc(N)c1NC(=O)c1cc[nH]n1 c1cc(n[nH]1)[*:1] Cn1ncc(N)c1NC(=O)[*:1]
Cc1nnc2ccc(C(=O)N3CCCCC[C@H]3c3cccn3C)cn12 Cn1cccc1[*:1] Cc1nnc2ccc(cn12)C(=O)N1CCCCC[C@@H]1[*:1]
Cc1cccc(C(=O)/N=C(\NC[C@@H]2CCCO2)Nc2ccc(C(C)C)cc2)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)/N=C(\NC[C@@H]1CCCO1)Nc1ccc(cc1)[*:1]
Cc1cccc(C(=O)/N=C(\NC[C@@H]2CCCO2)Nc2ccc(C(C)C)cc2)c1 Cc1cccc(c1)[*:1] CC(C)c1ccc(cc1)N/C(=N/C(=O)[*:1])NC[C@@H]1CCCO1
Cc1cccc(C(=O)/N=C(\NC[C@@H]2CCCO2)Nc2ccc(C(C)C)cc2)c1 CC(C)c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)/N=C(\NC[C@@H]1CCCO1)N[*:1]
C[C@@H]1CC[C@](C#N)([C@H](O)c2ccccc2OC(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H]1CC[C@@](C#N)(C1)[C@H](O)c1ccccc1O[*:1]
C[C@@H]1CC[C@](C#N)([C@H](O)c2ccccc2OC(F)(F)F)C1 FC(F)(F)O[*:1] C[C@@H]1CC[C@@](C#N)(C1)[C@H](O)c1ccccc1[*:1]
Cc1ccc(-c2nc(/C([O-])=N/S(=O)(=O)CCCF)cs2)cc1 FCC[*:1] Cc1ccc(cc1)-c1nc(cs1)/C([O-])=N/S(=O)(=O)C[*:1]
Cc1ccc(-c2nc(/C([O-])=N/S(=O)(=O)CCCF)cs2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(CCCF)/N=C(\[O-])c1csc(n1)[*:1]
Cc1ccc(-c2nc(/C([O-])=N/S(=O)(=O)CCCF)cs2)cc1 FCCC[*:1] Cc1ccc(cc1)-c1nc(cs1)/C([O-])=N/S(=O)(=O)[*:1]
COc1ccccc1Cn1c(=O)[nH]c2cc([C@H]3N[C@@H](c4cccc(C)c4)NO3)ccc2c1=O Cc1cccc(c1)[*:1] COc1ccccc1Cn1c(=O)[nH]c2cc(ccc2c1=O)[C@H]1N[C@@H](NO1)[*:1]
COc1ccccc1Cn1c(=O)[nH]c2cc([C@H]3N[C@@H](c4cccc(C)c4)NO3)ccc2c1=O COc1ccccc1[*:1] Cc1cccc(c1)[C@H]1NO[C@H](N1)c1ccc2c(=O)n(C[*:1])c(=O)[nH]c2c1
COc1ccccc1Cn1c(=O)[nH]c2cc([C@H]3N[C@@H](c4cccc(C)c4)NO3)ccc2c1=O COc1ccccc1C[*:1] Cc1cccc(c1)[C@H]1NO[C@H](N1)c1ccc2c(=O)n(c(=O)[nH]c2c1)[*:1]
Cc1cccn2cc(C(=O)Nc3cnn(CC(=O)NC[C@H]4CCCO4)c3)nc12 O=C(NC[C@H]1CCCO1)[*:1] Cc1cccn2cc(nc12)C(=O)Nc1cnn(c1)C[*:1]
CC(C)OCCC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C CC(C)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)CCO[*:1]
CC(C)OCCC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C CC(C)OC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)C[*:1]
CC(C)OCCC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C CC(C)O[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)CC[*:1]
CC(C)OCCC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C CC(C)OCC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)[*:1]
O=C([O-])CC1(CC(=O)Nc2ccc3ccccc3n2)CCCCC1 O=C([O-])C[*:1] O=C(CC1(CCCCC1)[*:1])Nc1ccc2ccccc2n1
O=C([O-])CC1(CC(=O)Nc2ccc3ccccc3n2)CCCCC1 O=C([O-])[*:1] O=C(CC1(CCCCC1)C[*:1])Nc1ccc2ccccc2n1
COc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC Fc1cccc(c1)C[*:1] COc1ccc(cc1OC)N(S(=O)(=O)c1ccc(F)c(Cl)c1)[*:1]
COc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC Fc1ccc(cc1Cl)[*:1] COc1ccc(cc1OC)N(Cc1cccc(F)c1)S(=O)(=O)[*:1]
COc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)N(C[*:1])S(=O)(=O)c1ccc(F)c(Cl)c1
COc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC COc1ccc(cc1OC)[*:1] O=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1cccc(F)c1)[*:1]
Cc1noc([C@H](C)Oc2ccc(-n3cnnn3)cc2)n1 Cc1noc(n1)[*:1] C[C@H](Oc1ccc(cc1)-n1cnnn1)[*:1]
Cc1noc([C@H](C)Oc2ccc(-n3cnnn3)cc2)n1 c1nnnn1[*:1] Cc1noc(n1)[C@H](C)Oc1ccc(cc1)[*:1]
O=C(N[C@@H](CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H](NC(=O)[*:1])c1ccccc1)N1CCN(CC1)c1ccc(F)cc1
O=C(N[C@@H](CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H](CC(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1])c1ccccc1
O=C(N[C@@H](CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(C[C@@H](c1ccccc1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(N[C@@H](CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](CC(=O)N1CCN(CC1)[*:1])c1ccccc1)c1ccccc1
c1ccc(N2CCN(c3nnc(-c4ccncc4)o3)CC2)cc1 c1cc(ccn1)[*:1] c1ccc(cc1)N1CCN(CC1)c1nnc(o1)[*:1]
c1ccc(N2CCN(c3nnc(-c4ccncc4)o3)CC2)cc1 c1ccc(cc1)[*:1] c1cc(ccn1)-c1nnc(o1)N1CCN(CC1)[*:1]
O=C([C@H]1CCOc2ccccc21)N1CCC[C@H](n2cncn2)C1 c1ncn(n1)[*:1] O=C([C@H]1CCOc2ccccc21)N1CCC[C@H](C1)[*:1]
COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)NC1CC1 COc1ccccc1[*:1] C[C@@H](C[*:1])N(Cc1ccccc1)C(=O)NC1CC1
COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)NC1CC1 C1CC1[*:1] COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)N[*:1]
COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)NC1CC1 c1ccc(cc1)C[*:1] COc1ccccc1C[C@H](C)N(C(=O)NC1CC1)[*:1]
COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)NC1CC1 c1ccc(cc1)[*:1] COc1ccccc1C[C@H](C)N(C[*:1])C(=O)NC1CC1
COC(=O)c1cccc(C(=O)NCc2cccc(OC)c2)n1 COC(=O)[*:1] COc1cccc(c1)CNC(=O)c1cccc(n1)[*:1]
CC1CCC(NC(=O)C(=O)Nc2cc(C(C)C)on2)CC1 CC(C)[*:1] CC1CCC(CC1)NC(=O)C(=O)Nc1cc(on1)[*:1]
CC1CCC(NC(=O)C(=O)Nc2cc(C(C)C)on2)CC1 CC1CCC(CC1)[*:1] CC(C)c1cc(no1)NC(=O)C(=O)N[*:1]
CCC(C)(CC)[NH2+]CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCC(C)(CC)[NH2+]CC(=O)N(C1CCCCC1)[*:1]
CCC(C)(CC)[NH2+]CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(CC1)[*:1] CCC(C)(CC)[NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCN(C)C(=O)Cn1ccc2c(C(=O)[O-])cccc21 O=C([O-])[*:1] CCN(C)C(=O)Cn1ccc2c(cccc21)[*:1]
CCN(C)C(=O)Cn1ccc2c(C(=O)[O-])cccc21 CCN(C)C(=O)[*:1] O=C([O-])c1cccc2c1ccn2C[*:1]
Cc1cc(C)cc(-c2cccc(Cl)c2C(=O)[O-])c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)-c1cccc(Cl)c1[*:1]
O=C(Nc1cccnc1)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 O=C(C[*:1])N1CCCCC1 O=C(Nc1cccnc1)c1sc(cc1O[*:1])-c1ccccc1
O=C(Nc1cccnc1)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 O=C(CO[*:1])N1CCCCC1 O=C(Nc1cccnc1)c1sc(cc1[*:1])-c1ccccc1
O=C(Nc1cccnc1)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 O=C(Nc1cccnc1)[*:1] O=C(COc1cc(sc1[*:1])-c1ccccc1)N1CCCCC1
O=C(Nc1cccnc1)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(Nc1cccnc1)c1sc(cc1OC[*:1])-c1ccccc1
O=C(Nc1cccnc1)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 c1ccc(cc1)[*:1] O=C(Nc1cccnc1)c1sc(cc1OCC(=O)N1CCCCC1)[*:1]
O=C(Nc1cccnc1)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 c1cncc(c1)[*:1] O=C(N[*:1])c1sc(cc1OCC(=O)N1CCCCC1)-c1ccccc1
C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc([S@@](C)=O)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCc1ccc(cc1)[S@@](C)=O
C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(cc1)[*:1]
C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)C1=O C=CC[*:1] O=C(CN1C(=O)C(=O)N(C1=O)[*:1])Nc1cc(Cl)cc(Cl)c1
C[C@H](NC(=O)CS(=O)(=O)Cc1ccccc1)c1ccccc1Cl c1ccc(cc1)C[*:1] C[C@H](NC(=O)CS(=O)(=O)[*:1])c1ccccc1Cl
C[C@H](NC(=O)CS(=O)(=O)Cc1ccccc1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)CS(=O)(=O)Cc1ccccc1)[*:1]
C[C@H](NC(=O)CS(=O)(=O)Cc1ccccc1)c1ccccc1Cl c1ccc(cc1)[*:1] C[C@H](NC(=O)CS(=O)(=O)C[*:1])c1ccccc1Cl
CN(Cc1ccc([N+](=O)[O-])o1)Cc1nccs1 c1csc(n1)[*:1] CN(Cc1ccc(o1)[N+](=O)[O-])C[*:1]
CN(Cc1ccc([N+](=O)[O-])o1)Cc1nccs1 O=[N+]([O-])[*:1] CN(Cc1ccc(o1)[*:1])Cc1nccs1
CCOCCN(C)Cc1ccc(C)s1 CCO[*:1] Cc1ccc(CN(C)CC[*:1])s1
CCOCCN(C)Cc1ccc(C)s1 CCOC[*:1] Cc1ccc(CN(C)C[*:1])s1
Cc1cc2ncn(C[C@H](O)CN3CCN([C@H](C)C(N)=O)CC3)c2cc1C C[C@H](C(N)=O)[*:1] Cc1cc2ncn(C[C@H](O)CN3CCN(CC3)[*:1])c2cc1C
Cc1cc2ncn(C[C@H](O)CN3CCN([C@H](C)C(N)=O)CC3)c2cc1C NC(=O)[*:1] Cc1cc2ncn(C[C@H](O)CN3CCN(CC3)[C@H](C)[*:1])c2cc1C
CCc1ccc(C[C@@H](O)CC(C)C)nc1 CC(C)[*:1] CCc1ccc(C[C@@H](O)C[*:1])nc1
CCc1ccc(C[C@@H](O)CC(C)C)nc1 CC(C)C[*:1] CCc1ccc(C[C@@H](O)[*:1])nc1
O=C1O[C@H](c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C1O[C@@H](O[C@H]1[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C1O[C@H](c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1ccccc1 O=[N+]([O-])[*:1] O=C1O[C@@H](O[C@@H]1c1ccccc1)c1ccc(cc1)[*:1]
C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2C2CC2)CCO1 C1CC1[*:1] C[C@@H]1CN(CCO1)[C@@H](C[NH3+])c1ccccc1[*:1]
CN(C)C(=O)C[NH+]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 CN(C)C(=O)C[*:1] O=C(c1ccc(cc1)-n1cccc1)N1CCC[NH+](CC1)[*:1]
CN(C)C(=O)C[NH+]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 c1ccn(c1)[*:1] CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)c1ccc(cc1)[*:1]
CN(C)C(=O)C[NH+]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 CN(C)C(=O)[*:1] O=C(c1ccc(cc1)-n1cccc1)N1CCC[NH+](CC1)C[*:1]
C[C@@H](OC(=O)Cc1ccsc1)C(=O)N[C@H]1CCOc2ccccc21 c1cc(cs1)C[*:1] C[C@@H](OC(=O)[*:1])C(=O)N[C@H]1CCOc2ccccc21
C[C@@H](OC(=O)Cc1ccsc1)C(=O)N[C@H]1CCOc2ccccc21 c1cc(cs1)[*:1] C[C@@H](OC(=O)C[*:1])C(=O)N[C@H]1CCOc2ccccc21
Cc1ccc(C(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)NNC(=O)Cc1ccc(cc1)[*:1]
Cc1ccc(C(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)o1 Cc1ccc(o1)[*:1] O=C(Cc1ccc(cc1)-c1ccccc1)NNC(=O)[*:1]
C[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[*:1]
C[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)n1cncn1 c1cc(cs1)[*:1] C[C@@H](C(=O)NC[C@@H]([NH+](C)C)[*:1])n1cncn1
Cc1ccccc1-c1nnc(CSc2nnc(N)s2)o1 Nc1nnc(s1)[*:1] Cc1ccccc1-c1nnc(CS[*:1])o1
CSc1nnc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)s1 CSc1nnc(s1)[*:1] O=C1N[C@H](Cc2ccccc2)C(=O)N1C[*:1]
CSc1nnc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)s1 c1ccc(cc1)C[*:1] CSc1nnc(CN2C(=O)N[C@H](C2=O)[*:1])s1
CSc1nnc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)s1 c1ccc(cc1)[*:1] CSc1nnc(CN2C(=O)N[C@H](C[*:1])C2=O)s1
CC[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)Nc1ccc(cc1)S(N)(=O)=O)[*:1]
CC[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 NS(=O)(=O)[*:1] CC[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
CCc1ccc([C@@H](COC)NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)o1 CCc1ccc(o1)[*:1] COC[C@@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12)[*:1]
CCc1ccc([C@@H](COC)NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)o1 COC[*:1] CCc1ccc(o1)[C@@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12)[*:1]
COC(=O)C1(NC(=O)c2ccc(Cl)cc2Cl)CCCC1 COC(=O)[*:1] O=C(NC1(CCCC1)[*:1])c1ccc(Cl)cc1Cl
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)cc12 O=C(N[*:1])c1ccco1 Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)Nc1cccc(c1)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)cc12 c1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)Nc1cccc(c1)NC(=O)c1ccco1)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)cc12 c1coc(c1)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)Nc1cccc(c1)NC(=O)[*:1]
Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3nccn3C)C2)n1 Cc1ccccc1O[*:1] Cn1ccnc1C(=O)N1CCC[C@@H](C1)c1cncc(n1)[*:1]
Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3nccn3C)C2)n1 Cc1ccccc1[*:1] Cn1ccnc1C(=O)N1CCC[C@@H](C1)c1cncc(n1)O[*:1]
Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3nccn3C)C2)n1 Cn1ccnc1[*:1] Cc1ccccc1Oc1cncc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
c1ccc(N2CC[C@H](C[NH2+]Cc3cc[nH]c3)C2)cc1 c1ccc(cc1)[*:1] c1cc(c[nH]1)C[NH2+]C[C@H]1CCN(C1)[*:1]
c1ccc(N2CC[C@H](C[NH2+]Cc3cc[nH]c3)C2)cc1 c1cc(c[nH]1)[*:1] c1ccc(cc1)N1CC[C@H](C[NH2+]C[*:1])C1
Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 Fc1ccc(cc1)[*:1] Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@@H]([NH+]1CCCCC1)[*:1]
CCN(CC)C(=O)c1ccccc1N1CCCC1=O O=C1CCCN1[*:1] CCN(CC)C(=O)c1ccccc1[*:1]
O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@H]1c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCCC1)N1CCC[C@@H]1[*:1]
O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@H]1c1nc2ccccc2s1 O=S(=O)(N1CCCC1)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H]1c1nc2ccccc2s1
CC(C)n1nccc1NC(=O)NCc1ccc(Cl)cc1 CC(C)[*:1] O=C(NCc1ccc(Cl)cc1)Nc1ccnn1[*:1]
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1C COc1ccc(cc1C)[*:1] Cc1ccc(cc1)[C@H]1/C(C(=O)C(=O)N1CC[NH+](C)C)=C(\O)[*:1]
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1C Cc1ccc(cc1)[*:1] COc1ccc(cc1C)/C(O)=C1\C(=O)C(=O)N(CC[NH+](C)C)[C@@H]1[*:1]
CCOc1ccc(S(=O)(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)cc1 COc1cc(nc(C)n1)[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)cc1 CCOc1ccc(cc1)[*:1] COc1cc(nc(C)n1)N1CCN(CC1)S(=O)(=O)[*:1]
CCOc1ccc(S(=O)(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)cc1 CCO[*:1] COc1cc(nc(C)n1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc([C@H](C)NC(=O)N(Cc2ccc(O)cc2)CC2CC2)c(C)o1 Oc1ccc(cc1)C[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)N(CC1CC1)[*:1]
Cc1cc([C@H](C)NC(=O)N(Cc2ccc(O)cc2)CC2CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](NC(=O)N(Cc1ccc(O)cc1)CC1CC1)[*:1]
Cc1cc([C@H](C)NC(=O)N(Cc2ccc(O)cc2)CC2CC2)c(C)o1 C1CC1C[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)N(Cc1ccc(O)cc1)[*:1]
Cc1cc([C@H](C)NC(=O)N(Cc2ccc(O)cc2)CC2CC2)c(C)o1 C1CC1[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)N(Cc1ccc(O)cc1)C[*:1]
Cc1cc([C@H](C)NC(=O)N(Cc2ccc(O)cc2)CC2CC2)c(C)o1 Oc1ccc(cc1)[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)N(CC1CC1)C[*:1]
CC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1ccc(C(C)=O)cc1)CC2 CC(=O)[*:1] CC(=O)Nc1nc2CCN(CC(=O)Nc3ccc(cc3)[*:1])Cc2s1
CC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1ccc(C(C)=O)cc1)CC2 CC(=O)N[*:1] CC(=O)c1ccc(cc1)NC(=O)CN1CCc2nc(sc2C1)[*:1]
COC(=O)[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccc(F)cc1F Cn1cc(cn1)[*:1] COC(=O)[C@@H](NS(=O)(=O)[*:1])c1ccc(F)cc1F
COC(=O)[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccc(F)cc1F COC(=O)[*:1] Cn1cc(cn1)S(=O)(=O)N[C@@H](c1ccc(F)cc1F)[*:1]
O=C(Nc1ccccn1)c1cc2ccccc2o/c1=[NH+]\c1ccc2c(c1)OCO2 O=C(Nc1ccccn1)[*:1] c1ccc2o/c(=[NH+]\c3ccc4OCOc4c3)c(cc2c1)[*:1]
O=C(Nc1ccccn1)c1cc2ccccc2o/c1=[NH+]\c1ccc2c(c1)OCO2 c1ccc(nc1)[*:1] O=C(N[*:1])c1cc2ccccc2o/c1=[NH+]\c1ccc2OCOc2c1
O=C(NCCSCc1ccco1)c1ccc(Cl)cc1Cl c1coc(c1)C[*:1] O=C(NCCS[*:1])c1ccc(Cl)cc1Cl
O=C(NCCSCc1ccco1)c1ccc(Cl)cc1Cl c1coc(c1)[*:1] O=C(NCCSC[*:1])c1ccc(Cl)cc1Cl
Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2F)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1cc(ccc1F)S(=O)(=O)NCC[*:1]
Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2F)cc1 Clc1ccc(cc1)CC[*:1] Cc1ccc(cc1)NC(=O)c1cc(ccc1F)S(=O)(=O)N[*:1]
Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2F)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1)NC(=O)c1cc(ccc1F)S(=O)(=O)NC[*:1]
Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2F)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1cc(ccc1F)S(=O)(=O)NCCc1ccc(Cl)cc1
Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2F)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(F)c(c1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1cc(F)c(F)c(F)c1 CSC[*:1] CC[C@@H](N(C)C(=O)c1cc(F)c(F)c(F)c1)[*:1]
Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)nc2)cc1C Fc1ccc(cn1)[*:1] Cc1ccc(cc1C)[C@@H]1CCCN1C(=O)[*:1]
Cc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c(O)c1 CS(=O)(=O)[*:1] Cc1ccc(NC(=O)c2ccc(cc2)C[*:1])c(O)c1
Cc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c(O)c1 CS(=O)(=O)C[*:1] Cc1ccc(NC(=O)c2ccc(cc2)[*:1])c(O)c1
COCCCN1C(=O)/C(=C2/C[C@@H](c3cn(Cc4ccccc4)c4ccccc34)NN2)C(=O)N=C1[O-] c1ccc(cc1)[*:1] COCCCN1C(=O)/C(C(=O)N=C1[O-])=C1/C[C@H](NN1)c1cn(C[*:1])c2ccccc12
COCCCN1C(=O)/C(=C2/C[C@@H](c3cn(Cc4ccccc4)c4ccccc34)NN2)C(=O)N=C1[O-] COC[*:1] O=C1N=C([O-])N(CC[*:1])C(=O)/C1=C1/C[C@H](NN1)c1cn(Cc2ccccc2)c2ccccc12
COCCCN1C(=O)/C(=C2/C[C@@H](c3cn(Cc4ccccc4)c4ccccc34)NN2)C(=O)N=C1[O-] COCC[*:1] O=C1N=C([O-])N(C[*:1])C(=O)/C1=C1/C[C@H](NN1)c1cn(Cc2ccccc2)c2ccccc12
COCCCN1C(=O)/C(=C2/C[C@@H](c3cn(Cc4ccccc4)c4ccccc34)NN2)C(=O)N=C1[O-] COCCC[*:1] O=C1N=C([O-])N(C(=O)/C1=C1/C[C@H](NN1)c1cn(Cc2ccccc2)c2ccccc12)[*:1]
COCCCN1C(=O)/C(=C2/C[C@@H](c3cn(Cc4ccccc4)c4ccccc34)NN2)C(=O)N=C1[O-] c1ccc(cc1)C[*:1] COCCCN1C(=O)/C(C(=O)N=C1[O-])=C1/C[C@H](NN1)c1cn(c2ccccc12)[*:1]
CCOC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)[nH]n1 C1CCC(CC1)[*:1] CCOC(=O)c1cc([nH]n1)-c1ccc(cc1)[*:1]
CCOC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)[nH]n1 CCOC(=O)[*:1] c1cc(ccc1-c1cc(n[nH]1)[*:1])C1CCCCC1
NC(=O)c1ccccc1NC(=O)C[NH+](CCO)C1CC1 C1CC1[*:1] NC(=O)c1ccccc1NC(=O)C[NH+](CCO)[*:1]
NC(=O)c1ccccc1NC(=O)C[NH+](CCO)C1CC1 NC(=O)[*:1] O=C(C[NH+](CCO)C1CC1)Nc1ccccc1[*:1]
C(=C1/CC[C@H]([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)C1=[N+]1CCOCC1)\c1ccccc1 c1ccc(cc1)[*:1] C(=C1CC[C@@H](C1=[N+]1CCOCC1)[C@@H]1Nc2ccccc2-c2nc3ccccc3n21)[*:1]
Cc1ccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)cc1N(C)C C1CC1c1nc(no1)[*:1] Cc1ccc(cc1N(C)C)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)cc1N(C)C C1CC1[*:1] Cc1ccc(cc1N(C)C)NC(=O)c1ccc(cc1)-c1noc(n1)[*:1]
Cc1ccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)cc1N(C)C CN(C)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccc(cc1)-c1noc(n1)C1CC1
CCN(c1cncc(C[NH3+])n1)[C@H](C)COC COC[C@@H](C)[*:1] CCN(c1cncc(C[NH3+])n1)[*:1]
CCN(c1cncc(C[NH3+])n1)[C@H](C)COC COC[*:1] CCN(c1cncc(C[NH3+])n1)[C@H](C)[*:1]
NS(=O)(=O)c1ccc(NC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1 NS(=O)(=O)[*:1] O=C(COc1ccc(Br)cc1Cl)NC(=S)Nc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(NC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1 Clc1cc(Br)ccc1[*:1] NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)CO[*:1]
CC[C@@H](C)[C@H](NC(=O)C[C@H](O)c1cccc(F)c1)c1nc2ccccc2[nH]1 CC[C@@H](C)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CC[C@@H](C)[C@H](NC(=O)C[C@H](O)c1cccc(F)c1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC[C@@H](C)[C@H](NC(=O)C[C@H](O)c1cccc(F)c1)[*:1]
CC[C@@H](C)[C@H](NC(=O)C[C@H](O)c1cccc(F)c1)c1nc2ccccc2[nH]1 O[C@H](c1cccc(F)c1)[*:1] CC[C@@H](C)[C@H](NC(=O)C[*:1])c1nc2ccccc2[nH]1
CC[C@@H](C)[C@H](NC(=O)C[C@H](O)c1cccc(F)c1)c1nc2ccccc2[nH]1 Fc1cccc(c1)[*:1] CC[C@@H](C)[C@H](NC(=O)C[C@H](O)[*:1])c1nc2ccccc2[nH]1
CC(C)(O)C#Cc1ccc(C(=O)Nc2cnc3n2CCCC3)o1 CC(C)(O)[*:1] O=C(Nc1cnc2CCCCn12)c1ccc(C#C[*:1])o1
CC(C)(O)C#Cc1ccc(C(=O)Nc2cnc3n2CCCC3)o1 CC(C)(O)C#C[*:1] O=C(Nc1cnc2CCCCn12)c1ccc(o1)[*:1]
CC(C)[C@@H](NC(=O)c1csc(-c2ccncc2)n1)c1cccs1 c1cc(ccn1)[*:1] CC(C)[C@@H](NC(=O)c1csc(n1)[*:1])c1cccs1
CC(C)[C@@H](NC(=O)c1csc(-c2ccncc2)n1)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)c1csc(n1)-c1ccncc1)[*:1]
CC(C)[C@@H](NC(=O)c1csc(-c2ccncc2)n1)c1cccs1 CC(C)[*:1] O=C(N[C@@H](c1cccs1)[*:1])c1csc(n1)-c1ccncc1
CCC[C@H](CC(=O)OC)NC(=O)c1cnc2ccccn12 COC(=O)[*:1] CCC[C@H](C[*:1])NC(=O)c1cnc2ccccn12
CCC[C@H](CC(=O)OC)NC(=O)c1cnc2ccccn12 COC(=O)C[*:1] CCC[C@H](NC(=O)c1cnc2ccccn12)[*:1]
CCC[C@H](CC(=O)OC)NC(=O)c1cnc2ccccn12 CCC[*:1] COC(=O)C[C@H](NC(=O)c1cnc2ccccn12)[*:1]
O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] O=C(N[C@@H]1CCC[C@@H](C1)C1CC1)c1cccc(c1)[*:1]
O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1cccc(N2CCCNC2=O)c1 C1CC1[*:1] O=C(N[C@@H]1CCC[C@H](C1)[*:1])c1cccc(c1)N1CCCNC1=O
O=C1c2ccccc2C[C@@]12[C@@H]1c3ccccc3OC(=O)[C@@]12C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C1c2ccccc2C[C@@]12[C@@H]1c3ccccc3OC(=O)[C@@]12[*:1]
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(Cl)cc(Cl)c1 COC(=O)[*:1] O=C(c1cc(Cl)cc(Cl)c1)N1[C@H]2CCCC[C@H]2C[C@H]1[*:1]
CCN[C@@H](c1ccc(OC)cc1)C(C)(C)[NH+](C)C CCN[*:1] COc1ccc(cc1)[C@@H](C(C)(C)[NH+](C)C)[*:1]
CC(C)N(C(=O)Cc1coc(-c2cccs2)n1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)Cc1coc(n1)-c1cccs1)[*:1]
CC(C)N(C(=O)Cc1coc(-c2cccs2)n1)C1CCC1 c1csc(c1)[*:1] CC(C)N(C(=O)Cc1coc(n1)[*:1])C1CCC1
CC(C)N(C(=O)Cc1coc(-c2cccs2)n1)C1CCC1 CC(C)[*:1] O=C(Cc1coc(n1)-c1cccs1)N(C1CCC1)[*:1]
CN(C)C(=O)[C@@H]1CCCN1C(=O)Cn1ccccc1=O CN(C)C(=O)[*:1] O=C(Cn1ccccc1=O)N1CCC[C@H]1[*:1]
CC[NH+]1CCN(C[C@H](O)COCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)C[C@H](O)COC[*:1]
COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccc(Br)c3)n2N)c1 Brc1cccc(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)CSc1nnc(n1N)[*:1]
COCCC(=O)[C@H]1CCOC2(CCC2)C1 COC[*:1] O=C(C[*:1])[C@H]1CCOC2(CCC2)C1
COCCC(=O)[C@H]1CCOC2(CCC2)C1 COCC[*:1] O=C([C@H]1CCOC2(CCC2)C1)[*:1]
Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 N#Cc1csc(c1)[*:1] Cc1ccccc1[C@@H]1CCCN1C(=O)[*:1]
Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 Cc1ccccc1[*:1] N#Cc1csc(c1)C(=O)N1CCC[C@H]1[*:1]
COc1ccc(C(C)=O)cc1CC(=O)N(C)CC(=O)N(C)C CC(=O)[*:1] COc1ccc(cc1CC(=O)N(C)CC(=O)N(C)C)[*:1]
COc1ccc(C(C)=O)cc1CC(=O)N(C)CC(=O)N(C)C CN(C)C(=O)[*:1] COc1ccc(cc1CC(=O)N(C)C[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CC(=O)N(C)CC(=O)N(C)C CN(C)C(=O)C[*:1] COc1ccc(cc1CC(=O)N(C)[*:1])C(C)=O
Cc1csc(C2(NC(=O)CC3(O)CCCC3)CCCC2)n1 OC1(CCCC1)[*:1] Cc1csc(n1)C1(CCCC1)NC(=O)C[*:1]
Cc1csc(C2(NC(=O)CC3(O)CCCC3)CCCC2)n1 Cc1csc(n1)[*:1] O=C(CC1(O)CCCC1)NC1(CCCC1)[*:1]
Cc1csc(C2(NC(=O)CC3(O)CCCC3)CCCC2)n1 OC1(CCCC1)C[*:1] Cc1csc(n1)C1(CCCC1)NC(=O)[*:1]
CCc1nnc(NS(=O)(=O)c2c(C)ccc3nsnc23)s1 CCc1nnc(s1)[*:1] Cc1ccc2nsnc2c1S(=O)(=O)N[*:1]
COc1cccc(S(=O)(=O)/N=C([O-])/C(C#N)=C\c2ccco2)c1 c1coc(c1)[*:1] COc1cccc(c1)S(=O)(=O)/N=C(\[O-])C(C#N)=C[*:1]
COC[C@@H](NC(=O)NC[C@H]1CCCN(c2ncccn2)C1)c1ccco1 c1cnc(nc1)[*:1] COC[C@@H](NC(=O)NC[C@H]1CCCN(C1)[*:1])c1ccco1
COC[C@@H](NC(=O)NC[C@H]1CCCN(c2ncccn2)C1)c1ccco1 COC[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)N[C@@H](c1ccco1)[*:1]
COC[C@@H](NC(=O)NC[C@H]1CCCN(c2ncccn2)C1)c1ccco1 c1coc(c1)[*:1] COC[C@@H](NC(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)COc2ccc(Br)cc2F)CC1 Fc1cc(Br)ccc1[*:1] O=C(c1ccccc1)C1CCN(CC1)C(=O)CO[*:1]
O=C(c1ccccc1)C1CCN(C(=O)COc2ccc(Br)cc2F)CC1 c1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1F)N1CCC(CC1)C(=O)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)COc2ccc(Br)cc2F)CC1 O=C(c1ccccc1)[*:1] O=C(COc1ccc(Br)cc1F)N1CCC(CC1)[*:1]
C[C@H](O)[C@@H](C)Sc1cccc(C[NH2+]C(C)(C)C)c1 C[C@H](O)[C@@H](C)S[*:1] CC(C)(C)[NH2+]Cc1cccc(c1)[*:1]
C[C@H](O)[C@@H](C)Sc1cccc(C[NH2+]C(C)(C)C)c1 C[C@H](O)[C@@H](C)[*:1] CC(C)(C)[NH2+]Cc1cccc(c1)S[*:1]
C[C@H](O)[C@@H](C)Sc1cccc(C[NH2+]C(C)(C)C)c1 C[C@H](O)[*:1] C[C@@H](Sc1cccc(c1)C[NH2+]C(C)(C)C)[*:1]
C[C@H](O)[C@@H](C)Sc1cccc(C[NH2+]C(C)(C)C)c1 CC(C)(C)[NH2+]C[*:1] C[C@H](O)[C@@H](C)Sc1cccc(c1)[*:1]
C[C@H](O)[C@@H](C)Sc1cccc(C[NH2+]C(C)(C)C)c1 CC(C)(C)[*:1] C[C@H](O)[C@@H](C)Sc1cccc(c1)C[NH2+][*:1]
C[C@H]1COCCN1C(=O)c1cccnc1N1CCCC1 C1CCN(C1)[*:1] C[C@H]1COCCN1C(=O)c1cccnc1[*:1]
COC(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 COC(=O)[*:1] O=[N+]([O-])c1cccc(c1)CNc1ccc(cc1)[*:1]
COC(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)NCc1cccc(c1)[*:1]
Cc1cc(CNC(=O)c2ccc(-c3ccccc3)cc2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(CNC(=O)c2ccc(cc2)[*:1])c(C)o1
Cc1cc(CNC(=O)c2ccc(-c3ccccc3)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NC[*:1])c1ccc(cc1)-c1ccccc1
CC(C)c1noc(-c2cc(C(C)C)n3ncnc3n2)n1 CC(C)[*:1] CC(C)c1cc(nc2ncnn12)-c1nc(no1)[*:1]
CC(C)c1noc(-c2cc(C(C)C)n3ncnc3n2)n1 CC(C)[*:1] CC(C)c1noc(n1)-c1cc(n2ncnc2n1)[*:1]
NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F c1csc(c1)[*:1] NC(=O)c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)[*:1]
NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F FC(F)(F)[*:1] NC(=O)c1cnn2c1N[C@@H](C[C@@H]2[*:1])c1cccs1
NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F NC(=O)[*:1] FC(F)(F)[C@@H]1C[C@H](Nc2c(cnn21)[*:1])c1cccs1
CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CC)Cc2ccccc2)C1 c1ccc(cc1)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](CC)C[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CC)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](CC)[*:1]
C=CCNC(=O)N(CCc1ccccc1)Cc1ccncc1 c1cc(ccn1)C[*:1] C=CCNC(=O)N(CCc1ccccc1)[*:1]
C=CCNC(=O)N(CCc1ccccc1)Cc1ccncc1 c1cc(ccn1)[*:1] C=CCNC(=O)N(CCc1ccccc1)C[*:1]
C=CCNC(=O)N(CCc1ccccc1)Cc1ccncc1 C=CC[*:1] O=C(N[*:1])N(CCc1ccccc1)Cc1ccncc1
C=CCNC(=O)N(CCc1ccccc1)Cc1ccncc1 c1ccc(cc1)C[*:1] C=CCNC(=O)N(Cc1ccncc1)C[*:1]
C=CCNC(=O)N(CCc1ccccc1)Cc1ccncc1 c1ccc(cc1)[*:1] C=CCNC(=O)N(CC[*:1])Cc1ccncc1
CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)CC1 CN(C)[*:1] CC[C@@H](C)NC(=O)CN1CCN(CC1)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)CC1 FC(F)(F)[*:1] CC[C@@H](C)NC(=O)CN1CCN(CC1)C(=O)Nc1ccc(cc1[*:1])N(C)C
CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)CC1 CC[C@@H](C)NC(=O)C[*:1] CN(C)c1ccc(NC(=O)N2CCN(CC2)[*:1])c(c1)C(F)(F)F
C[C@@H]([NH3+])Cc1cccc(OC/C(Cl)=C/Cl)c1 Cl/C=C(\Cl)C[*:1] C[C@@H]([NH3+])Cc1cccc(c1)O[*:1]
C[C@@H]([NH3+])Cc1cccc(OC/C(Cl)=C/Cl)c1 C[C@@H]([NH3+])C[*:1] Cl/C=C(\Cl)COc1cccc(c1)[*:1]
C[C@@H]([NH3+])Cc1cccc(OC/C(Cl)=C/Cl)c1 Cl/C=C(\Cl)[*:1] C[C@@H]([NH3+])Cc1cccc(c1)OC[*:1]
COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1SC O=C(NC1CCCC1)[*:1] COc1ccc(cc1SC)C[NH+]1CCN(CC1)[C@@H](C)[*:1]
COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1SC C1CCC(C1)[*:1] COc1ccc(cc1SC)C[NH+]1CCN(CC1)[C@@H](C)C(=O)N[*:1]
Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CC[C@]2(CC([O-])=NC2=O)C1 c1ccc(cc1)[*:1] Cc1nc([nH]c1C(=O)N1CC[C@]2(CC([O-])=NC2=O)C1)[*:1]
C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)CCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)CCO[*:1]
C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)CCOc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)CC[*:1]
Cc1ccccc1NC(=O)CCc1c(C)nc2cc(-c3ccccc3)nn2c1C c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CCc1c(C)nc2cc(nn2c1C)[*:1]
Cc1ccccc1NC(=O)CCc1c(C)nc2cc(-c3ccccc3)nn2c1C Cc1ccccc1[*:1] Cc1nc2cc(nn2c(C)c1CCC(=O)N[*:1])-c1ccccc1
CCOC[C@@H]1CCCN(C(=O)CCc2nncn2-c2ccccc2)C1 c1ccc(cc1)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)CCc1nncn1[*:1]
CCOC[C@@H]1CCCN(C(=O)CCc2nncn2-c2ccccc2)C1 CCOC[*:1] O=C(CCc1nncn1-c1ccccc1)N1CCC[C@H](C1)[*:1]
CCOC[C@@H]1CCCN(C(=O)CCc2nncn2-c2ccccc2)C1 CCO[*:1] O=C(CCc1nncn1-c1ccccc1)N1CCC[C@H](C1)C[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1cccc(F)c1
Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1 Fc1cccc(c1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
NC(=O)[C@H](c1ccc(F)cc1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 Fc1ccc(cc1)[*:1] NC(=O)[C@H](c1ccc(F)cc1)N1CCCc2c(cccc21)NC(=O)[*:1]
NC(=O)[C@H](c1ccc(F)cc1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 NC(=O)[*:1] O=C(Nc1cccc2c1CCCN2[C@@H](c1ccc(F)cc1)[*:1])c1ccc(F)cc1
NC(=O)[C@H](c1ccc(F)cc1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 Fc1ccc(cc1)[*:1] NC(=O)[C@H](N1CCCc2c(cccc21)NC(=O)c1ccc(F)cc1)[*:1]
NC(=O)[C@H](c1ccc(F)cc1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 O=C(N[*:1])c1ccc(F)cc1 NC(=O)[C@H](c1ccc(F)cc1)N1CCCc2c1cccc2[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H](O[C@]2(C[NH3+])CCCOC2)C1 CS(=O)(=O)[*:1] [NH3+]C[C@]1(CCCOC1)O[C@@H]1CCC[C@H](C1)[*:1]
CC(C)(C)c1ncc(NC(=O)N2C[C@@H](O)C[C@H]2C2CCCCC2)cn1 C1CCC(CC1)[*:1] CC(C)(C)c1ncc(cn1)NC(=O)N1C[C@@H](O)C[C@@H]1[*:1]
CC(C)(C)c1ncc(NC(=O)N2C[C@@H](O)C[C@H]2C2CCCCC2)cn1 CC(C)(C)[*:1] O=C(Nc1cnc(nc1)[*:1])N1C[C@@H](O)C[C@H]1C1CCCCC1
C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(S(C)(=O)=O)CC1 c1cc(co1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCN(CC1)S(C)(=O)=O
COc1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(F)c(F)c4)CC3)no2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(F)c1)N1CCN(CC1)Cc1noc(n1)[*:1]
COc1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(F)c(F)c4)CC3)no2)cc1 Fc1ccc(cc1F)[*:1] COc1ccc(cc1)-c1nc(CN2CCN(CC2)C(=O)N[*:1])no1
Cc1nc(Cc2ccccc2)sc1/C([O-])=N/S(=O)(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1nc(Cc2ccccc2)sc1/C([O-])=N/S(=O)(=O)[*:1]
Cc1nc(Cc2ccccc2)sc1/C([O-])=N/S(=O)(=O)c1ccc(C#N)cc1 c1ccc(cc1)C[*:1] Cc1nc(sc1/C([O-])=N/S(=O)(=O)c1ccc(C#N)cc1)[*:1]
Cc1nc(Cc2ccccc2)sc1/C([O-])=N/S(=O)(=O)c1ccc(C#N)cc1 c1ccc(cc1)[*:1] Cc1nc(C[*:1])sc1/C([O-])=N/S(=O)(=O)c1ccc(C#N)cc1
N#C/C(C(=O)C=C1CCSCC1)=C(/[O-])Nc1ccccn1 c1ccc(nc1)[*:1] N#C/C(C(=O)C=C1CCSCC1)=C(/[O-])N[*:1]
N#C/C(C(=O)C=C1CCSCC1)=C(/[O-])Nc1ccccn1 c1ccc(nc1)N[*:1] N#C/C(C(=O)C=C1CCSCC1)=C(/[O-])[*:1]
CCOc1ccc(CN2CCN(C(=O)N[C@@H](C)[C@H]3CCCO3)CC2)cc1 CCO[*:1] C[C@H](NC(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1])[C@H]1CCCO1
C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)NC[C@H]1CCCO1 FC(F)(F)[*:1] C[C@@H](Sc1nc(nc2ccccc12)[*:1])C(=O)NC[C@H]1CCCO1
C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C[C@@H](Sc1nc(nc2ccccc12)C(F)(F)F)C(=O)N[*:1]
C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](Sc1nc(nc2ccccc12)C(F)(F)F)C(=O)NC[*:1]
Cc1nn(CCNS(=O)(=O)NCc2ccccc2)c(C)c1Cl c1ccc(cc1)C[*:1] Cc1nn(CCNS(=O)(=O)N[*:1])c(C)c1Cl
Cc1nn(CCNS(=O)(=O)NCc2ccccc2)c(C)c1Cl c1ccc(cc1)[*:1] Cc1nn(CCNS(=O)(=O)NC[*:1])c(C)c1Cl
Cc1sc2ncnc(SCC(=O)N3C[C@H](C(N)=O)CC[C@H]3C)c2c1C NC(=O)[*:1] Cc1sc2ncnc(SCC(=O)N3C[C@H](CC[C@H]3C)[*:1])c2c1C
CC(C)c1cc(N2CCN(C(=O)CCC3CCCC3)CC2)nc2nncn12 C1CCC(C1)C[*:1] CC(C)c1cc(nc2nncn12)N1CCN(CC1)C(=O)C[*:1]
CC(C)c1cc(N2CCN(C(=O)CCC3CCCC3)CC2)nc2nncn12 C1CCC(C1)CC[*:1] CC(C)c1cc(nc2nncn12)N1CCN(CC1)C(=O)[*:1]
CC(C)c1cc(N2CCN(C(=O)CCC3CCCC3)CC2)nc2nncn12 C1CCC(C1)[*:1] CC(C)c1cc(nc2nncn12)N1CCN(CC1)C(=O)CC[*:1]
CC(C)c1cc(N2CCN(C(=O)CCC3CCCC3)CC2)nc2nncn12 CC(C)[*:1] O=C(CCC1CCCC1)N1CCN(CC1)c1cc(n2cnnc2n1)[*:1]
COc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)nc2c1 O=C([O-])[*:1] COc1ccc2[nH]c(nc2c1)/C(C#N)=C/c1ccc(o1)-c1cc(ccc1Cl)[*:1]
COc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)nc2c1 O=C([O-])c1ccc(Cl)c(c1)[*:1] COc1ccc2[nH]c(nc2c1)/C(C#N)=C/c1ccc(o1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)c1ccc3OCOc3c1)O2)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)c1ccc3OCOc3c1)O2
C[C@@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 c1cc2OCOc2cc1[*:1] C[C@@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)[*:1])O2
C[C@@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 C[C@@H](CCc1ccccc1)[*:1] O=C(N[*:1])[C@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)c1ccc3OCOc3c1)O2
C[C@@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)c1ccc3OCOc3c1)O2
CCC[C@H](C)C(=O)Nc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1C CCC[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)[*:1])C(=O)Nc1ccc2OCCOc2c1
CCC[C@H](C)C(=O)Nc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1C CCC[C@H](C)C(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccc2OCCOc2c1
Cc1ccc(NC(=O)N2CCN([C@@H]3C[C@H](C)OC3=O)CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] C[C@H]1C[C@H](C(=O)O1)N1CCN(CC1)C(=O)N[*:1]
O=C(NCCCn1cccn1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCCCn1cccn1)N[C@H]1C[C@H]1[*:1]
O=C(NCCCn1cccn1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 c1cnn(c1)C[*:1] O=C(NCC[*:1])N[C@H]1C[C@@H]1c1cccc(Cl)c1
O=C(NCCCn1cccn1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 c1cnn(c1)[*:1] O=C(NCCC[*:1])N[C@H]1C[C@@H]1c1cccc(Cl)c1
O=C(NCCCn1cccn1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 c1cnn(c1)CC[*:1] O=C(NC[*:1])N[C@H]1C[C@@H]1c1cccc(Cl)c1
[NH3+]CCc1n[nH]c2c(I)cccc12 [NH3+]CC[*:1] Ic1cccc2c(n[nH]c12)[*:1]
CC(C)c1n[nH]c(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 CC(C)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)Nc1nc(n[nH]1)[*:1]
CC(C)c1n[nH]c(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 CC(C)(C)[*:1] CC(C)c1n[nH]c(n1)NC(=O)[C@H]1CCN(C1)C(=O)O[*:1]
O=C(Cc1ccc[nH]1)N(Cc1ccccc1)C[C@H](O)c1ccco1 c1c[nH]c(c1)[*:1] O=C(C[*:1])N(Cc1ccccc1)C[C@H](O)c1ccco1
O=C(Cc1ccc[nH]1)N(Cc1ccccc1)C[C@H](O)c1ccco1 c1ccc(cc1)[*:1] O=C(Cc1ccc[nH]1)N(C[C@H](O)c1ccco1)C[*:1]
O=C(Cc1ccc[nH]1)N(Cc1ccccc1)C[C@H](O)c1ccco1 c1c[nH]c(c1)C[*:1] O=C(N(Cc1ccccc1)C[C@H](O)c1ccco1)[*:1]
O=C(Cc1ccc[nH]1)N(Cc1ccccc1)C[C@H](O)c1ccco1 c1coc(c1)[*:1] O=C(Cc1ccc[nH]1)N(Cc1ccccc1)C[C@H](O)[*:1]
O=C(Cc1ccc[nH]1)N(Cc1ccccc1)C[C@H](O)c1ccco1 c1ccc(cc1)C[*:1] O=C(Cc1ccc[nH]1)N(C[C@H](O)c1ccco1)[*:1]
Cc1cccc(C2(C(=O)N(C)C)CCC2)c1 CN(C)C(=O)[*:1] Cc1cccc(c1)C1(CCC1)[*:1]
COc1ccc(-n2cc(Cl)nc(Oc3ccc4ccc(=O)oc4c3)c2=O)cc1 COc1ccc(cc1)[*:1] O=c1ccc2ccc(cc2o1)Oc1nc(Cl)cn(c1=O)[*:1]
CCCn1cnnc1[C@@H](C(=O)OCC)c1cccc(Br)c1 CCC[*:1] CCOC(=O)[C@@H](c1cccc(Br)c1)c1nncn1[*:1]
CCCn1cnnc1[C@@H](C(=O)OCC)c1cccc(Br)c1 CCOC(=O)[*:1] CCCn1cnnc1[C@@H](c1cccc(Br)c1)[*:1]
CCCn1cnnc1[C@@H](C(=O)OCC)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CCCn1cnnc1[C@@H](C(=O)OCC)[*:1]
O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 O[C@@H](c1cccs1)[*:1] O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1C[*:1]
O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 c1csc(c1)[*:1] O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1C[C@@H](O)[*:1]
O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 O=[N+]([O-])[*:1] Oc1ccc(c(c1)CN1CCOC[C@@H]1C[C@@H](O)c1cccs1)[*:1]
O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 O[C@H](C[*:1])c1cccs1 O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@H]1[*:1]
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1OC O=C([O-])[*:1] COc1cc(C=C[*:1])cc(c1OC)S(=O)(=O)Nc1ccc2OCCOc2c1
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1OC O=C([O-])C=C[*:1] COc1cc(cc(c1OC)S(=O)(=O)Nc1ccc2OCCOc2c1)[*:1]
CCC(CC)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 c1cn(cn1)[*:1] CCC(CC)C(=O)NCc1ccc(c(F)c1)[*:1]
CCC(CC)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 CCC(CC)[*:1] O=C(NCc1ccc(c(F)c1)-n1ccnc1)[*:1]
Cc1cc(OC(F)F)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCCC[C@H]1[*:1])OC(F)F
Cc1cc(OC(F)F)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] FC(F)O[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])[*:1]
Cc1cc(OC(F)F)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] FC(F)[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])O[*:1]
CCOc1ccc(F)c(C(=O)Nc2ccsc2C(=O)OC)c1F CCO[*:1] COC(=O)c1sccc1NC(=O)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)Nc2ccsc2C(=O)OC)c1F COC(=O)[*:1] CCOc1ccc(F)c(C(=O)Nc2ccsc2[*:1])c1F
Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=O)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)-c1nn(cc1C=O)[*:1]
C/C(=C(/C#N)C(N)=O)c1ccccc1F NC(=O)[*:1] CC(=C(C#N)[*:1])c1ccccc1F
CC(C)CCCCNC(=O)N(C)Cc1ccccn1 CC(C)CCC[*:1] CN(Cc1ccccn1)C(=O)NC[*:1]
CC(C)CCCCNC(=O)N(C)Cc1ccccn1 CC(C)C[*:1] CN(Cc1ccccn1)C(=O)NCCC[*:1]
CC(C)CCCCNC(=O)N(C)Cc1ccccn1 CC(C)CC[*:1] CN(Cc1ccccn1)C(=O)NCC[*:1]
CC(C)CCCCNC(=O)N(C)Cc1ccccn1 CC(C)[*:1] CN(Cc1ccccn1)C(=O)NCCCC[*:1]
CC(C)CCCCNC(=O)N(C)Cc1ccccn1 c1ccc(nc1)[*:1] CC(C)CCCCNC(=O)N(C)C[*:1]
C[NH+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1F Fc1ccccc1[*:1] C[NH+](CCC(=O)NC(=O)Nc1ccccc1)C[*:1]
C[NH+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1F c1ccc(cc1)[*:1] C[NH+](CCC(=O)NC(=O)N[*:1])Cc1ccccc1F
C[NH+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1F Fc1ccccc1C[*:1] C[NH+](CCC(=O)NC(=O)Nc1ccccc1)[*:1]
CCCOc1ccc(-c2nnc3ccc4nncn4n23)cc1 CCC[*:1] c1cc(ccc1O[*:1])-c1nnc2ccc3nncn3n12
CCCOc1ccc(-c2nnc3ccc4nncn4n23)cc1 CCCO[*:1] c1cc(ccc1-c1nnc2ccc3nncn3n12)[*:1]
Cc1cnc(C(C)(C)NC(=O)NCCSCC(C)(C)O)s1 CC(C)(O)CSC[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NC[*:1]
Cc1cnc(C(C)(C)NC(=O)NCCSCC(C)(C)O)s1 CC(C)(O)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NCCSC[*:1]
Cc1cnc(C(C)(C)NC(=O)NCCSCC(C)(C)O)s1 Cc1cnc(s1)[*:1] CC(C)(O)CSCCNC(=O)NC(C)(C)[*:1]
Cc1cnc(C(C)(C)NC(=O)NCCSCC(C)(C)O)s1 CC(C)(O)CS[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NCC[*:1]
Cc1cnc(C(C)(C)NC(=O)NCCSCC(C)(C)O)s1 CC(C)(O)C[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NCCS[*:1]
Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1N1CCCC1=O O=C1CCCN1[*:1] Cc1ccc(cc1[*:1])NS(=O)(=O)c1ccccc1[N+](=O)[O-]
Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1N1CCCC1=O O=[N+]([O-])[*:1] Cc1ccc(cc1N1CCCC1=O)NS(=O)(=O)c1ccccc1[*:1]
COc1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O O=C(c1ccccc1)[*:1] COc1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H]([C@@H]2C1=O)[*:1]
COc1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O COc1ccccc1[*:1] O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21)[*:1]
COc1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O c1ccc(cc1)[*:1] COc1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)[*:1])[C@@H]2C1=O
Cc1cc(NC(=O)N[C@@H](C)CO)ccc1OC1CCOCC1 C1CC(CCO1)O[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@@H](C)CO
Cc1cc(NC(=O)N[C@@H](C)CO)ccc1OC1CCOCC1 C[C@@H](CO)[*:1] Cc1cc(ccc1OC1CCOCC1)NC(=O)N[*:1]
Cc1cc(NC(=O)N[C@@H](C)CO)ccc1OC1CCOCC1 C1CC(CCO1)[*:1] Cc1cc(ccc1O[*:1])NC(=O)N[C@@H](C)CO
Cc1cc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1F O=C([O-])[*:1] Cc1cc(ccc1F)NC(=O)N1CCO[C@H](C1)C[*:1]
Cc1cc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1F O=C([O-])C[*:1] Cc1cc(ccc1F)NC(=O)N1CCO[C@@H](C1)[*:1]
COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1 COC(=O)[*:1] O=C(c1ccc(Br)cc1)N1CCCC[C@H]1[*:1]
COc1ccc([C@@H]2CC(=O)NC(SC)=C2C#N)cc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1ccc(cc1[*:1])[C@@H]1CC(=O)NC(SC)=C1C#N
COc1ccc([C@@H]2CC(=O)NC(SC)=C2C#N)cc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1OC[*:1])[C@@H]1CC(=O)NC(SC)=C1C#N
COc1ccc([C@@H]2CC(=O)NC(SC)=C2C#N)cc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1O[*:1])[C@@H]1CC(=O)NC(SC)=C1C#N
Cc1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)c1cn(C)nc1S(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 Cc1ccc(cc1)[*:1] Cn1cc(C(=O)N[*:1])c(n1)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Cc1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cn1cc(c(n1)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
O=C(Nc1cccc(OC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Oc1cccc(c1)NC(=O)[*:1])[C@H]1C[C@@H]1[N+](=O)[O-]
O=C(Nc1cccc(OC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1)c1ccccc1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)OC(=O)[C@H]1C[C@H]1[*:1])c1ccccc1
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)Nc1cccc2ccccc12 Cc1nn(C)c(C)c1C[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc2ccccc12)[*:1]
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)Nc1cccc2ccccc12 Cc1nn(C)c(C)c1[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1cccc2ccccc12
CC[C@@H](C)N1C(N)=[NH+]C[C@]1(C)CC CC[C@@H](C)[*:1] CC[C@@]1(C)C[NH+]=C(N)N1[*:1]
O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2 Clc1ccc(cc1)[*:1] O=C(CCCNC(=O)[*:1])Nc1ccc2CCCc2c1
Cc1ccnc(C[C@@H](C)O)c1 C[C@@H](O)[*:1] Cc1ccnc(c1)C[*:1]
CC[C@@H](C)Oc1cccc(N2CCC(=O)CC2=O)c1 CC[C@@H](C)[*:1] O=C1CCN(C(=O)C1)c1cccc(c1)O[*:1]
CC[C@@H](C)Oc1cccc(N2CCC(=O)CC2=O)c1 CC[C@@H](C)O[*:1] O=C1CCN(C(=O)C1)c1cccc(c1)[*:1]
CC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)c(Cl)c1 CC(=O)N[*:1] O=C(Nc1ccc(cc1Cl)[*:1])N1CCC[C@H]1Cc1ccccc1
CC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)c(Cl)c1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2C[*:1])c(Cl)c1
CNS(=O)(=O)c1cccc(C[NH2+][C@H](c2ccccn2)C2CCCC2)c1 c1ccc(nc1)[*:1] CNS(=O)(=O)c1cccc(c1)C[NH2+][C@H](C1CCCC1)[*:1]
CNS(=O)(=O)c1cccc(C[NH2+][C@H](c2ccccn2)C2CCCC2)c1 CNS(=O)(=O)[*:1] c1ccc(nc1)[C@@H]([NH2+]Cc1cccc(c1)[*:1])C1CCCC1
CNS(=O)(=O)c1cccc(C[NH2+][C@H](c2ccccn2)C2CCCC2)c1 C1CCC(C1)[*:1] CNS(=O)(=O)c1cccc(c1)C[NH2+][C@H](c1ccccn1)[*:1]
COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(-c3ccccc3)cc2)cc1 COc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1ccc(cc1)-c1ccccc1
COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(-c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)cc1C Cc1ccc(cc1C)[*:1] C[C@@H]1C(=O)N2CCCc3cc(cc1c32)NC(=O)[*:1]
C[NH+](CCNC(=O)C(=O)Nc1ccnn1C1CCCCC1)C1CCCC1 C1CCC(CC1)[*:1] C[NH+](CCNC(=O)C(=O)Nc1ccnn1[*:1])C1CCCC1
COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCc4cccc(F)c4)CC3)[nH]c2c1 Fc1cccc(c1)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)[C@@H](C)C(=O)NC[*:1]
COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCc4cccc(F)c4)CC3)[nH]c2c1 Fc1cccc(c1)C[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)[C@@H](C)C(=O)N[*:1]
CC(C)COC(=O)N1CCC([NH2+]Cc2nc(C(F)(F)F)cs2)CC1 CC(C)C[*:1] O=C(O[*:1])N1CCC(CC1)[NH2+]Cc1nc(cs1)C(F)(F)F
CC(C)COC(=O)N1CCC([NH2+]Cc2nc(C(F)(F)F)cs2)CC1 FC(F)(F)[*:1] CC(C)COC(=O)N1CCC(CC1)[NH2+]Cc1nc(cs1)[*:1]
CC(C)COC(=O)N1CCC([NH2+]Cc2nc(C(F)(F)F)cs2)CC1 CC(C)[*:1] O=C(OC[*:1])N1CCC(CC1)[NH2+]Cc1nc(cs1)C(F)(F)F
CN(C1CCC(C)(C)CC1)S(=O)(=O)c1c[nH]cn1 c1nc(c[nH]1)[*:1] CN(C1CCC(C)(C)CC1)S(=O)(=O)[*:1]
COc1ccc(F)cc1C[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 N#Cc1ccsc1[*:1] COc1ccc(F)cc1C[NH+]1CCN(CC1)CC(=O)N[*:1]
COc1ccc(F)cc1C[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 COc1ccc(F)cc1[*:1] N#Cc1ccsc1NC(=O)CN1CC[NH+](CC1)C[*:1]
O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccco1 c1coc(c1)C[*:1] O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1[*:1]
O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccco1 c1coc(c1)[*:1] O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1C[*:1]
O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccco1 Fc1cccc(Cl)c1[*:1] O=c1c2sccc2nc(SC[*:1])n1Cc1ccco1
O=S(=O)(NCc1ccc2c(c1)OCCO2)C1CCOCC1 C1CC(CCO1)[*:1] O=S(=O)(NCc1ccc2OCCOc2c1)[*:1]
CCC[C@@H](C)C[NH2+][C@@](C)(CC)C(=O)[O-] O=C([O-])[*:1] CCC[C@@H](C)C[NH2+][C@@](C)(CC)[*:1]
CCC[C@@H](C)C[NH2+][C@@](C)(CC)C(=O)[O-] CCC[*:1] CC[C@](C)([NH2+]C[C@H](C)[*:1])C(=O)[O-]
CC(C)NC(=O)C[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 CC(C)[*:1] C[C@H]1CC(C)(C)C[C@@](CO)(C1)[NH2+]CC(=O)N[*:1]
CC(C)NC(=O)C[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 CC(C)NC(=O)[*:1] C[C@H]1CC(C)(C)C[C@@](CO)(C1)[NH2+]C[*:1]
COc1ccccc1NC1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1NC1CCN(CC1)[C@@H](C(=O)N(C)C)[*:1]
COc1ccccc1NC1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 COc1ccccc1[*:1] CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(CC1)N[*:1]
COc1ccccc1NC1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 CN(C)C(=O)[*:1] COc1ccccc1NC1CCN(CC1)[C@@H](c1ccccc1)[*:1]
COc1ccccc1NC1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 COc1ccccc1N[*:1] CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(CC1)[*:1]
C[C@H](Cc1ccccc1)OC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 c1ccc(cc1)C[*:1] C[C@H](OC(=O)[C@@H]1CCCN(C1)C(=O)c1ccncc1)[*:1]
C[C@H](Cc1ccccc1)OC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 c1ccc(cc1)[*:1] C[C@H](C[*:1])OC(=O)[C@@H]1CCCN(C1)C(=O)c1ccncc1
C[C@H](Cc1ccccc1)OC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 c1cc(ccn1)[*:1] C[C@H](Cc1ccccc1)OC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CN(C(=O)CCCCO)c1ccccn1 OCC[*:1] CN(C(=O)CC[*:1])c1ccccn1
CN(C(=O)CCCCO)c1ccccn1 OCCC[*:1] CN(C(=O)C[*:1])c1ccccn1
CN(C(=O)CCCCO)c1ccccn1 OCCCC[*:1] CN(C(=O)[*:1])c1ccccn1
CC1=NN(CC(=O)[O-])C(=O)C1 O=C([O-])[*:1] CC1CC(=O)N(C[*:1])N=1
Cc1nn(C)c(C)c1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 Cc1nn(C)c(C)c1[*:1] O=C(COc1ccc(cc1)C(=O)c1ccccc1)N[*:1]
Cc1nn(C)c(C)c1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] Cc1nn(C)c(C)c1NC(=O)COc1ccc(cc1)[*:1]
Cc1nn(C)c(C)c1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1NC(=O)COc1ccc(cc1)C(=O)[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)N1CCN(CC1)Cc1ccc2OCOc2c1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(CC1)C[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(CC1)[*:1]
Cc1ccc(CSc2nnc(N/N=C/c3ccc(F)cc3)n2N)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)CSc1nnc(NN=C[*:1])n1N
Cc1ccc(CSc2nnc(N/N=C/c3ccc(F)cc3)n2N)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1SC[*:1])N/N=C/c1ccc(F)cc1
Cc1ccc(CSc2nnc(N/N=C/c3ccc(F)cc3)n2N)cc1 Cc1ccc(cc1)C[*:1] Nn1c(nnc1S[*:1])N/N=C/c1ccc(F)cc1
CC(C)[C@H]1CN(Cc2ccccc2F)CCN1C(=O)[C@H](C)c1n[nH]c(=O)c2ccccc12 Fc1ccccc1[*:1] CC(C)[C@H]1CN(CCN1C(=O)[C@H](C)c1n[nH]c(=O)c2ccccc12)C[*:1]
CC(C)[C@H]1CN(Cc2ccccc2F)CCN1C(=O)[C@H](C)c1n[nH]c(=O)c2ccccc12 Fc1ccccc1C[*:1] CC(C)[C@H]1CN(CCN1C(=O)[C@H](C)c1n[nH]c(=O)c2ccccc12)[*:1]
CC(C)[C@H]1CN(Cc2ccccc2F)CCN1C(=O)[C@H](C)c1n[nH]c(=O)c2ccccc12 CC(C)[*:1] C[C@@H](C(=O)N1CCN(Cc2ccccc2F)C[C@@H]1[*:1])c1n[nH]c(=O)c2ccccc12
O=C(NNc1ccc(C(F)(F)F)cc1)c1scnc1C1CC1 C1CC1[*:1] O=C(NNc1ccc(cc1)C(F)(F)F)c1scnc1[*:1]
O=C(NNc1ccc(C(F)(F)F)cc1)c1scnc1C1CC1 FC(F)(F)[*:1] O=C(NNc1ccc(cc1)[*:1])c1scnc1C1CC1
CSCC[C@H](C)N(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 CSCC[*:1] C[C@H](N(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[*:1]
CSCC[C@H](C)N(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 CSC[*:1] C[C@@H](C[*:1])N(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
CSCC[C@H](C)N(C)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] CSCC[C@H](C)N(C)c1nc2c(cnn2[*:1])c(=O)[nH]1
COc1ccccc1-n1ncc(N)c1C(F)F FC(F)[*:1] COc1ccccc1-n1ncc(N)c1[*:1]
C[C@H]([NH2+]CCc1cnn(C)c1)c1ccccc1N(C)C Cn1cc(cn1)[*:1] C[C@H]([NH2+]CC[*:1])c1ccccc1N(C)C
C[C@H]([NH2+]CCc1cnn(C)c1)c1ccccc1N(C)C CN(C)[*:1] C[C@H]([NH2+]CCc1cnn(C)c1)c1ccccc1[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](C)OCC1CC1 C1CC1[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](C)OC[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](C)OCC1CC1 C1CC1CO[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](C)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](C)OCC1CC1 C1CC1C[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](C)O[*:1]
Cc1cc(=O)c(C(=O)NNc2ccccc2C(F)(F)F)c[nH]1 FC(F)(F)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)NNc1ccccc1[*:1]
Cc1ccc(C(=O)N2CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)o1 Fc1ccccc1[*:1] Cc1ccc(o1)C(=O)N1CCN(CC1)Cc1c[nH]nc1[*:1]
Cc1ccc(C(=O)N2CCN(Cc3c[nH]nc3-c3ccccc3F)CC2)o1 Cc1ccc(o1)[*:1] O=C(N1CCN(CC1)Cc1c[nH]nc1-c1ccccc1F)[*:1]
Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)c(C)c1 CC(C)CC[*:1] Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(=O)N3[*:1])C(C)C)c(C)c1
Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(=O)N3CCC(C)C)[*:1])c(C)c1
Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)c(C)c1 Cc1ccc(C[*:1])c(C)c1 CC(C)CCN1C(=O)N(C(=O)C12CC[NH+](CC2)[*:1])C(C)C
Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(=O)N3CC[*:1])C(C)C)c(C)c1
Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)c(C)c1 CC(C)C[*:1] Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(=O)N3C[*:1])C(C)C)c(C)c1
Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)CCN1C(=O)N(C(=O)C12CC[NH+](CC2)C[*:1])C(C)C
Cc1cccc([C@@H]2C[C@H](C(=O)NCc3ccccc3F)CN(C(=O)c3ccccc3)C2)c1 Cc1cccc(c1)[*:1] O=C(NCc1ccccc1F)[C@H]1C[C@H](CN(C1)C(=O)c1ccccc1)[*:1]
Cc1cccc([C@@H]2C[C@H](C(=O)NCc3ccccc3F)CN(C(=O)c3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)[C@@H]1C[C@@H](CN(C1)C(=O)[*:1])C(=O)NCc1ccccc1F
Cc1cccc([C@@H]2C[C@H](C(=O)NCc3ccccc3F)CN(C(=O)c3ccccc3)C2)c1 Fc1ccccc1C[*:1] Cc1cccc(c1)[C@@H]1C[C@@H](CN(C1)C(=O)c1ccccc1)C(=O)N[*:1]
Cc1cccc([C@@H]2C[C@H](C(=O)NCc3ccccc3F)CN(C(=O)c3ccccc3)C2)c1 Fc1ccccc1[*:1] Cc1cccc(c1)[C@@H]1C[C@@H](CN(C1)C(=O)c1ccccc1)C(=O)NC[*:1]
Cc1ccc(OCCC(=O)NC2COC2)cc1 C1OCC1[*:1] Cc1ccc(cc1)OCCC(=O)N[*:1]
Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)n2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1CCCN1S(=O)(=O)c1cccs1
Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)n2)c1 c1csc(c1)[*:1] Cc1ccc(C)c(c1)-c1csc(n1)NC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
CCN(Cc1cccs1)C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 c1csc(c1)C[*:1] CCN(C(=O)[C@@H]1CCCN(C1)C(=O)NC1CCCC1)[*:1]
CCN(Cc1cccs1)C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 c1csc(c1)[*:1] CCN(C[*:1])C(=O)[C@@H]1CCCN(C1)C(=O)NC1CCCC1
CCN(Cc1cccs1)C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] CCN(Cc1cccs1)C(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(NC(=O)COc3ccc(Cl)c(C)c3)C(=O)[C@H]21 Cc1cc(ccc1Cl)[*:1] CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(NC(=O)CO[*:1])C(=O)[C@H]21
CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(NC(=O)COc3ccc(Cl)c(C)c3)C(=O)[C@H]21 Cc1cc(ccc1Cl)O[*:1] CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(NC(=O)C[*:1])C(=O)[C@H]21
CC[C@@H](Nc1cc(C)ccc1N)c1cccs1 c1csc(c1)[*:1] CC[C@@H](Nc1cc(C)ccc1N)[*:1]
COc1ccc(Cl)cc1NCCC(=O)N(C)CC#N N#CC[*:1] COc1ccc(Cl)cc1NCCC(=O)N(C)[*:1]
C[C@@H](OC(=O)c1cccnc1SC(F)F)C(=O)NC1CC1 FC(F)S[*:1] C[C@@H](OC(=O)c1cccnc1[*:1])C(=O)NC1CC1
C[C@@H](OC(=O)c1cccnc1SC(F)F)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@@H](OC(=O)c1cccnc1SC(F)F)[*:1]
C[C@@H](OC(=O)c1cccnc1SC(F)F)C(=O)NC1CC1 FC(F)[*:1] C[C@@H](OC(=O)c1cccnc1S[*:1])C(=O)NC1CC1
C[C@@H](OC(=O)c1cccnc1SC(F)F)C(=O)NC1CC1 C1CC1[*:1] C[C@@H](OC(=O)c1cccnc1SC(F)F)C(=O)N[*:1]
C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3F)ccc2Cl)C1 Fc1c(Cl)cccc1[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
CCOCc1cccc(NC(=O)NCc2nc(C)sc2C)c1 CCOC[*:1] Cc1nc(CNC(=O)Nc2cccc(c2)[*:1])c(C)s1
CCOCc1cccc(NC(=O)NCc2nc(C)sc2C)c1 CCO[*:1] Cc1nc(CNC(=O)Nc2cccc(c2)C[*:1])c(C)s1
CCOCc1cccc(NC(=O)NCc2nc(C)sc2C)c1 Cc1nc(c(C)s1)[*:1] CCOCc1cccc(c1)NC(=O)NC[*:1]
Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)(C)NC(=O)N1CCC(CC1)CNC(=O)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)c(C)c1 CC(C)(C)[*:1] Cc1ccc(NC(=O)C(=O)NCC2CCN(CC2)C(=O)N[*:1])c(C)c1
CCCc1nnc(/N=C(\[O-])C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)s1 CCC[*:1] NC(=O)[C@H]1CC(=NN1c1ccccc1)/C([O-])=N/c1nnc(s1)[*:1]
CCCc1nnc(/N=C(\[O-])C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)s1 NC(=O)[*:1] CCCc1nnc(/N=C(\[O-])C2C[C@H](N(N=2)c2ccccc2)[*:1])s1
CCCc1nnc(/N=C(\[O-])C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)s1 CCCc1nnc(s1)[*:1] NC(=O)[C@H]1CC(=NN1c1ccccc1)C([O-])=N[*:1]
CCCc1nnc(/N=C(\[O-])C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)s1 c1ccc(cc1)[*:1] CCCc1nnc(/N=C(\[O-])C2C[C@H](C(N)=O)N(N=2)[*:1])s1
COCCN1CCN(Cc2c(C)nn(-c3ccccc3)c2Cl)CC1=O c1ccc(cc1)[*:1] COCCN1CCN(CC1=O)Cc1c(C)nn(c1Cl)[*:1]
COCCN1CCN(Cc2c(C)nn(-c3ccccc3)c2Cl)CC1=O COCC[*:1] Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(C(=O)C1)[*:1]
COCCN1CCN(Cc2c(C)nn(-c3ccccc3)c2Cl)CC1=O COC[*:1] Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(C[*:1])C(=O)C1
CCCN[C@@H](c1cccc(C)c1)C1([NH+](C)C)CCCCC1 Cc1cccc(c1)[*:1] CCCN[C@@H](C1(CCCCC1)[NH+](C)C)[*:1]
CCCN[C@@H](c1cccc(C)c1)C1([NH+](C)C)CCCCC1 CCC[*:1] Cc1cccc(c1)[C@H](N[*:1])C1(CCCCC1)[NH+](C)C
CCCN[C@@H](c1cccc(C)c1)C1([NH+](C)C)CCCCC1 CCCN[*:1] Cc1cccc(c1)[C@@H](C1(CCCCC1)[NH+](C)C)[*:1]
CC[C@@H]1CCc2c(sc(=O)n2CC(=O)NC(C2CC2)C2CC2)C1 C1CC1[*:1] CC[C@@H]1CCc2c(C1)sc(=O)n2CC(=O)NC(C1CC1)[*:1]
CC[C@@H]1CCc2c(sc(=O)n2CC(=O)NC(C2CC2)C2CC2)C1 C1CC1C(C1CC1)[*:1] CC[C@@H]1CCc2c(C1)sc(=O)n2CC(=O)N[*:1]
CCn1c(C)cc(C(=O)N2CCC[C@H]2Cn2cccn2)c1C c1cnn(c1)[*:1] CCn1c(C)cc(C(=O)N2CCC[C@H]2C[*:1])c1C
CCn1c(C)cc(C(=O)N2CCC[C@H]2Cn2cccn2)c1C c1cnn(c1)C[*:1] CCn1c(C)cc(C(=O)N2CCC[C@@H]2[*:1])c1C
COc1ccc([C@H]2CC(=O)C3=C(C2)N=C(C(=O)O[C@H]2CCC[C@H]2C)[C@H]3C)cc1OC COc1ccc(cc1OC)[*:1] C[C@@H]1C(=NC2C[C@H](CC(=O)C=21)[*:1])C(=O)O[C@H]1CCC[C@H]1C
CN(c1ncc(N)cc1Br)C1CC1 C1CC1[*:1] CN(c1ncc(N)cc1Br)[*:1]
COc1ccc(-c2nonc2NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1OC ClC(Cl)=C[*:1] COc1ccc(cc1OC)-c1nonc1NC(=O)[C@@H]1[C@@H](C1(C)C)[*:1]
Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)o2)c1 Cc1occc1[*:1] Cc1ccc(C)c(c1)C(=O)[C@H](C)Sc1nnc(o1)[*:1]
Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)o2)c1 Cc1ccc(C)c(c1)[*:1] Cc1occc1-c1nnc(o1)S[C@@H](C)C(=O)[*:1]
O=C(CCn1ncc2ncccc2c1=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCn1ncc2ncccc2c1=O)N[*:1]
Cc1cc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)c2ccccc2n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)c2cn(cc3-c2nn(-c2ccccc2)c3=O)[*:1])c2ccccc2n1
Cc1cc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)c2ccccc2n1 Cc1cc(c2ccccc2n1)[*:1] O=C(N[*:1])c1cn(cc2-c1nn(-c1ccccc1)c2=O)Cc1ccccc1
Cc1cc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)c2ccccc2n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)c2cn(cc3-c2nn(c3=O)[*:1])Cc2ccccc2)c2ccccc2n1
Cc1cc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)c2ccccc2n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)c2cn(cc3-c2nn(-c2ccccc2)c3=O)C[*:1])c2ccccc2n1
CC(=O)c1c(C)[nH]c(C(=O)N(C)CC2=CC[C@@H]([C@@H]3C[C@@H]3C)O2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N(C)CC2=CC[C@H](O2)[C@@H]2C[C@@H]2C)c(C)c1[*:1]
C[C@@H](Oc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] C[C@@H](Oc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)[*:1]
C[C@@H](Oc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)C(=O)[*:1]
C[C@@H](Oc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)C(=O)c1ccccc1 C[C@@H](C(=O)c1ccccc1)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cc(Cl)ccc1O[*:1]
CC(C)N1CCO[C@@H](C(=O)c2cc(Cl)ccc2Cl)C1 CC(C)[*:1] O=C(c1cc(Cl)ccc1Cl)[C@H]1CN(CCO1)[*:1]
Cc1cc(N(C)C)cc([C@H]2CCCN2CC(N)=O)[nH+]1 NC(=O)[*:1] Cc1cc(cc([nH+]1)[C@H]1CCCN1C[*:1])N(C)C
Cc1cc(N(C)C)cc([C@H]2CCCN2CC(N)=O)[nH+]1 NC(=O)C[*:1] Cc1cc(cc([nH+]1)[C@H]1CCCN1[*:1])N(C)C
Cc1cc(N(C)C)cc([C@H]2CCCN2CC(N)=O)[nH+]1 CN(C)[*:1] Cc1cc(cc([nH+]1)[C@H]1CCCN1CC(N)=O)[*:1]
CN(CCC#N)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 N#CCC[*:1] CN(C(=O)[C@@H]1CC(=O)N(C1)c1cccc2ccccc12)[*:1]
CN(CCC#N)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 CN(CCC#N)C(=O)[*:1] O=C1C[C@H](CN1c1cccc2ccccc12)[*:1]
CN(CCC#N)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 N#CC[*:1] CN(C[*:1])C(=O)[C@@H]1CC(=O)N(C1)c1cccc2ccccc12
CCc1ncc(CN(C)C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)s1 CCc1ncc(C[*:1])s1 CN(C(=O)Cn1c(=O)[nH]c2ccccc2c1=O)[*:1]
CCc1ncc(CN(C)C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)s1 CCc1ncc(s1)[*:1] CN(C[*:1])C(=O)Cn1c(=O)[nH]c2ccccc2c1=O
COc1ccc(SCCC(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)cc1 Clc1cc(c(Cl)s1)[*:1] COc1ccc(cc1)SCCC(=O)Nc1nnc(o1)[*:1]
COc1ccc(SCCC(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)cc1 COc1ccc(cc1)[*:1] O=C(CCS[*:1])Nc1nnc(o1)-c1cc(Cl)sc1Cl
Cc1ccc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1c(cccc1N1CCCC1)N1CCCC1)[*:1]
Cc1ccc(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)C(=O)Nc1c(cccc1[*:1])N1CCCC1
NC(=O)c1cccc2c1CCCN2C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 c1ccc(cc1)C[*:1] NC(=O)c1cccc2c1CCCN2C(=O)C1CCC(=O)N(N=1)[*:1]
NC(=O)c1cccc2c1CCCN2C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 NC(=O)[*:1] O=C1CCC(=NN1Cc1ccccc1)C(=O)N1CCCc2c1cccc2[*:1]
NC(=O)c1cccc2c1CCCN2C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] NC(=O)c1cccc2c1CCCN2C(=O)C1CCC(=O)N(C[*:1])N=1
CC(C)CCOc1c(Cl)cc(Cl)cc1C=O CC(C)[*:1] O=Cc1cc(Cl)cc(Cl)c1OCC[*:1]
CC(C)CCOc1c(Cl)cc(Cl)cc1C=O CC(C)CC[*:1] O=Cc1cc(Cl)cc(Cl)c1O[*:1]
CC(C)CCOc1c(Cl)cc(Cl)cc1C=O CC(C)C[*:1] O=Cc1cc(Cl)cc(Cl)c1OC[*:1]
C[C@H]1CCC[C@@H](NC(=O)CC(N)=S)C1 NC(=S)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C[*:1]
C[C@H]1CCC[C@@H](NC(=O)CC(N)=S)C1 NC(=S)C[*:1] C[C@H]1CCC[C@H](C1)NC(=O)[*:1]
COCCn1c(C)cc(CN2CCOC3(CCOCC3)C2)c1C COC[*:1] Cc1cc(CN2CCOC3(CCOCC3)C2)c(C)n1C[*:1]
COCCn1c(C)cc(CN2CCOC3(CCOCC3)C2)c1C COCC[*:1] Cc1cc(CN2CCOC3(CCOCC3)C2)c(C)n1[*:1]
CCOC(=O)C1CC[NH+](Cc2oc(CO)cc(=O)c2[O-])CC1 CCOC(=O)[*:1] O=c1cc(CO)oc(C[NH+]2CCC(CC2)[*:1])c1[O-]
C[C@H](NC(=O)N(C)[C@@H]1CCc2ccccc21)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@H](NC(=O)N(C)[C@@H]1CCc2ccccc21)c1cccc(c1)[*:1]
CC(C)OCCS(=O)(=O)N1[C@H](C[NH3+])CCC[C@H]1C CC(C)O[*:1] C[C@@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)CC[*:1]
CC(C)OCCS(=O)(=O)N1[C@H](C[NH3+])CCC[C@H]1C CC(C)OC[*:1] C[C@@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)C[*:1]
CC(C)OCCS(=O)(=O)N1[C@H](C[NH3+])CCC[C@H]1C CC(C)[*:1] C[C@@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)CCO[*:1]
CC(C)OCCS(=O)(=O)N1[C@H](C[NH3+])CCC[C@H]1C CC(C)OCC[*:1] C[C@@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)[*:1]
O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1csc(-c2ccco2)n1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)-n1nccc1C(F)(F)F)c1csc(n1)[*:1]
O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1csc(-c2ccco2)n1 FC(F)(F)c1ccnn1[*:1] O=C(Nc1ccc(cc1)[*:1])c1csc(n1)-c1ccco1
O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1csc(-c2ccco2)n1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)-n1nccc1[*:1])c1csc(n1)-c1ccco1
C=CCNC(=O)/C=C/c1cc(Br)ccc1OCC CCO[*:1] C=CCNC(=O)/C=C/c1cc(Br)ccc1[*:1]
C=CCNC(=O)/C=C/c1cc(Br)ccc1OCC C=CC[*:1] CCOc1ccc(Br)cc1/C=C/C(=O)N[*:1]
C=CCNC(=O)/C=C/c1cc(Br)ccc1OCC C=CCNC(=O)[*:1] CCOc1ccc(Br)cc1C=C[*:1]
CC(C)[NH+](CCC(N)=S)Cc1ccnc2ccccc12 NC(=S)[*:1] CC(C)[NH+](CC[*:1])Cc1ccnc2ccccc12
CC(C)[NH+](CCC(N)=S)Cc1ccnc2ccccc12 NC(=S)C[*:1] CC(C)[NH+](Cc1ccnc2ccccc12)C[*:1]
CC(C)[NH+](CCC(N)=S)Cc1ccnc2ccccc12 CC(C)[*:1] NC(=S)CC[NH+](Cc1ccnc2ccccc12)[*:1]
COC(=O)[C@H](Cc1ccnc2[nH]ccc12)NC(=O)OC(C)(C)C CC(C)(C)[*:1] COC(=O)[C@H](Cc1ccnc2[nH]ccc12)NC(=O)O[*:1]
COC(=O)[C@H](Cc1ccnc2[nH]ccc12)NC(=O)OC(C)(C)C COC(=O)[*:1] CC(C)(C)OC(=O)N[C@@H](Cc1ccnc2[nH]ccc12)[*:1]
O=C(CCl)Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1OC(F)(F)F O=C(CCl)N[*:1] O/N=C(\c1ccccc1OC(F)(F)F)c1cc(Cl)ccc1[*:1]
O=C(CCl)Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1OC(F)(F)F FC(F)(F)[*:1] O=C(CCl)Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1O[*:1]
O=C(CCl)Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] O=C(CCl)Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1[*:1]
COc1ccccc1-c1ccc(SCC(=O)NCc2ccccc2)nn1 c1ccc(cc1)C[*:1] COc1ccccc1-c1ccc(nn1)SCC(=O)N[*:1]
COc1ccccc1-c1ccc(SCC(=O)NCc2ccccc2)nn1 COc1ccccc1[*:1] O=C(CSc1ccc(nn1)[*:1])NCc1ccccc1
COc1ccccc1-c1ccc(SCC(=O)NCc2ccccc2)nn1 c1ccc(cc1)[*:1] COc1ccccc1-c1ccc(nn1)SCC(=O)NC[*:1]
Cc1cccc(OCc2nnc(SCC(=O)Nc3sccc3C#N)o2)c1 Cc1cccc(c1)[*:1] N#Cc1ccsc1NC(=O)CSc1nnc(CO[*:1])o1
Cc1cccc(OCc2nnc(SCC(=O)Nc3sccc3C#N)o2)c1 Cc1cccc(c1)O[*:1] N#Cc1ccsc1NC(=O)CSc1nnc(C[*:1])o1
Cc1cccc(OCc2nnc(SCC(=O)Nc3sccc3C#N)o2)c1 N#Cc1ccsc1[*:1] Cc1cccc(c1)OCc1nnc(o1)SCC(=O)N[*:1]
Cc1nc(CCNc2nncc(-c3cc4ccccc4o3)n2)nc2c1CCC2 c1ccc2oc(cc2c1)[*:1] Cc1nc(CCNc2nncc(n2)[*:1])nc2CCCc12
O=C(CCCc1ccccn1)Nc1ccccc1C(=O)N1CCCC1 c1ccc(CC[*:1])nc1 O=C(C[*:1])Nc1ccccc1C(=O)N1CCCC1
O=C(CCCc1ccccn1)Nc1ccccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(CCCc1ccccn1)Nc1ccccc1[*:1]
O=C(CCCc1ccccn1)Nc1ccccc1C(=O)N1CCCC1 c1ccc(C[*:1])nc1 O=C(CC[*:1])Nc1ccccc1C(=O)N1CCCC1
O=C(CCCc1ccccn1)Nc1ccccc1C(=O)N1CCCC1 c1ccc(nc1)[*:1] O=C(CCC[*:1])Nc1ccccc1C(=O)N1CCCC1
CN1C(=O)C(=O)N(CN2CCc3sccc3[C@H]2c2cccs2)C1=O c1csc(c1)[*:1] CN1C(=O)C(=O)N(CN2CCc3sccc3[C@@H]2[*:1])C1=O
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3ccccc3N1[C@H]2[*:1]
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)[*:1]
CC[C@H](c1ccccc1)c1nnc(NC(=O)N(C[C@@H](C)O)C(C)C)s1 c1ccc(cc1)[*:1] CC[C@H](c1nnc(NC(=O)N(C[C@@H](C)O)C(C)C)s1)[*:1]
CC[C@H](c1ccccc1)c1nnc(NC(=O)N(C[C@@H](C)O)C(C)C)s1 CC(C)[*:1] CC[C@H](c1ccccc1)c1nnc(NC(=O)N(C[C@@H](C)O)[*:1])s1
CC[C@H](c1ccccc1)c1nnc(NC(=O)N(C[C@@H](C)O)C(C)C)s1 C[C@@H](O)[*:1] CC[C@H](c1ccccc1)c1nnc(NC(=O)N(C[*:1])C(C)C)s1
CC[C@H](c1ccccc1)c1nnc(NC(=O)N(C[C@@H](C)O)C(C)C)s1 C[C@@H](O)C[*:1] CC[C@H](c1ccccc1)c1nnc(NC(=O)N(C(C)C)[*:1])s1
CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc1 CC(=O)N[*:1] Cc1ccc(cc1-n1cccc1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc1 c1ccn(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccc(C)c(c1)[*:1]
Cc1ccc(S[C@H]2CSc3nc(C)cc(=O)n3[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S[C@H]1CSc2nc(C)cc(=O)n2[C@H]1[*:1]
Cc1ccc(S[C@H]2CSc3nc(C)cc(=O)n3[C@@H]2c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(=O)n2c(n1)SC[C@H](S[*:1])[C@H]2c1ccccc1
Cc1ccc(S[C@H]2CSc3nc(C)cc(=O)n3[C@@H]2c2ccccc2)cc1 Cc1ccc(cc1)S[*:1] Cc1cc(=O)n2c(n1)SC[C@@H]([C@H]2c1ccccc1)[*:1]
CC(C)OCC[C@@H](NN)c1ccccc1 CC(C)OC[*:1] NN[C@H](C[*:1])c1ccccc1
CC(C)OCC[C@@H](NN)c1ccccc1 CC(C)O[*:1] NN[C@H](CC[*:1])c1ccccc1
CC(C)OCC[C@@H](NN)c1ccccc1 CC(C)[*:1] NN[C@H](CCO[*:1])c1ccccc1
O=C(NCCCc1nc2c(s1)CCCC2)c1ccncc1Cl Clc1cnccc1[*:1] O=C(NCCCc1nc2CCCCc2s1)[*:1]
CCc1csc([C@@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1 CCc1csc(n1)[*:1] Cn1ccc(cc1=O)C(=O)N1CCC[C@H](C1)[*:1]
CCN(CC(C)(C)O)C(=O)Nc1nc(C(C)C)nn1C CC(C)(O)[*:1] CCN(C[*:1])C(=O)Nc1nc(nn1C)C(C)C
CCN(CC(C)(C)O)C(=O)Nc1nc(C(C)C)nn1C CC(C)(O)C[*:1] CCN(C(=O)Nc1nc(nn1C)C(C)C)[*:1]
CCN(CC(C)(C)O)C(=O)Nc1nc(C(C)C)nn1C CC(C)[*:1] CCN(CC(C)(C)O)C(=O)Nc1nc(nn1C)[*:1]
Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)N(C)S(=O)(=O)N1 FC(F)(F)[*:1] Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2ccccc2[*:1])N(C)S(=O)(=O)N1
Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)N(C)S(=O)(=O)N1 Cc1nn(C)cc1[*:1] CN1[C@H](C[C@@H](NS1(=O)=O)[*:1])C(=O)Nc1ccccc1C(F)(F)F
CCSc1cc(C(=O)NCCNC(=O)N(C)C)ccn1 CN(C)C(=O)N[*:1] CCSc1cc(ccn1)C(=O)NCC[*:1]
CCSc1cc(C(=O)NCCNC(=O)N(C)C)ccn1 CCS[*:1] CN(C)C(=O)NCCNC(=O)c1ccnc(c1)[*:1]
O=C(NC[C@@H]1CCCO1)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)NC[C@H]1CN(CCO1)C[*:1]
O=C(NC[C@@H]1CCCO1)NC[C@H]1CN(Cc2ccccc2)CCO1 C1CO[C@@H](C1)[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)NC[*:1]
O=C(NC[C@@H]1CCCO1)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1CCCO1)NC[C@H]1CN(CCO1)[*:1]
O=C(NC[C@@H]1CCCO1)NC[C@H]1CN(Cc2ccccc2)CCO1 C1CO[C@@H](C1)C[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)N[*:1]
CC(C)N(CC(C)(C)O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] CC(C)N(CC(C)(C)O)C(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1
CC(C)N(CC(C)(C)O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 CC(C)[*:1] CC(C)(O)CN(C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
CC(C)N(CC(C)(C)O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 CC(C)(O)[*:1] CC(C)N(C[*:1])C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1
CC(C)N(CC(C)(C)O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 CC(C)(O)C[*:1] CC(C)N(C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
CC(C)N(CC(C)(C)O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] CC(C)N(CC(C)(C)O)C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CN(C)c1nc(CNC(=O)N[C@H]2C[C@@H]2c2ccccc2F)cs1 CN(C)[*:1] O=C(NCc1csc(n1)[*:1])N[C@H]1C[C@@H]1c1ccccc1F
CN(C)c1nc(CNC(=O)N[C@H]2C[C@@H]2c2ccccc2F)cs1 Fc1ccccc1[*:1] CN(C)c1nc(cs1)CNC(=O)N[C@H]1C[C@H]1[*:1]
O=C(Cn1ccccc1=O)NCc1cccs1 c1csc(c1)[*:1] O=C(Cn1ccccc1=O)NC[*:1]
CCOCCN(C)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 CCOCC[*:1] CN(C(=O)N[C@H]1CCN(C1)c1cccc(Cl)c1)[*:1]
CCOCCN(C)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 CCO[*:1] CN(CC[*:1])C(=O)N[C@H]1CCN(C1)c1cccc(Cl)c1
CCOCCN(C)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CCOCCN(C)C(=O)N[C@H]1CCN(C1)[*:1]
CCOCCN(C)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 CCOC[*:1] CN(C[*:1])C(=O)N[C@H]1CCN(C1)c1cccc(Cl)c1
O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(cc1)C(F)(F)F)NC(c1ccccc1)[*:1]
O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC(c1ccccc1)c1ccccc1 FC(F)(F)[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])NC(c1ccccc1)c1ccccc1
O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC(c1ccccc1)c1ccccc1 FC(F)(F)c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])NC(c1ccccc1)c1ccccc1
CC(C)c1ccc([C@H]2CCCN2C(=O)CCNC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 CC(C)c1ccc(cc1)[C@H]1CCCN1C(=O)CC[*:1]
CC(C)c1ccc([C@H]2CCCN2C(=O)CCNC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CC(C)c1ccc(cc1)[C@H]1CCCN1C(=O)CCNC(=O)[*:1]
CC(C)c1ccc([C@H]2CCCN2C(=O)CCNC(=O)c2ccco2)cc1 CC(C)[*:1] O=C(NCCC(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1])c1ccco1
C[C@H](c1cccnc1)N(C(=O)NCc1ccc(Cn2cncn2)cc1)C1CC1 C1CC1[*:1] C[C@H](c1cccnc1)N(C(=O)NCc1ccc(cc1)Cn1cncn1)[*:1]
C[C@H](c1cccnc1)N(C(=O)NCc1ccc(Cn2cncn2)cc1)C1CC1 c1ncn(n1)[*:1] C[C@H](c1cccnc1)N(C(=O)NCc1ccc(cc1)C[*:1])C1CC1
C[C@H](c1cccnc1)N(C(=O)NCc1ccc(Cn2cncn2)cc1)C1CC1 c1cncc(c1)[*:1] C[C@H](N(C(=O)NCc1ccc(cc1)Cn1cncn1)C1CC1)[*:1]
C[C@H](c1cccnc1)N(C(=O)NCc1ccc(Cn2cncn2)cc1)C1CC1 c1ncn(C[*:1])n1 C[C@H](c1cccnc1)N(C(=O)NCc1ccc(cc1)[*:1])C1CC1
O=C(c1cccc(-c2ccoc2)c1)N(CC1CC1)c1cccnc1 c1cc(co1)[*:1] O=C(c1cccc(c1)[*:1])N(CC1CC1)c1cccnc1
O=C(c1cccc(-c2ccoc2)c1)N(CC1CC1)c1cccnc1 C1CC1C[*:1] O=C(c1cccc(c1)-c1ccoc1)N(c1cccnc1)[*:1]
O=C(c1cccc(-c2ccoc2)c1)N(CC1CC1)c1cccnc1 c1cncc(c1)[*:1] O=C(c1cccc(c1)-c1ccoc1)N(CC1CC1)[*:1]
O=C(c1cccc(-c2ccoc2)c1)N(CC1CC1)c1cccnc1 C1CC1[*:1] O=C(c1cccc(c1)-c1ccoc1)N(C[*:1])c1cccnc1
Cc1occc1C(=O)NC1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1 Cn1cc(cn1)[*:1] Cc1occc1C(=O)NC1CCN(CC1)C(=O)c1csc(n1)[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1 Cc1occc1[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1 Cc1occc1C(=O)N[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)N1CCC(CC1)[*:1]
COC(=O)c1sccc1NC(=O)C1(CC(C)C)CCCC1 CC(C)C[*:1] COC(=O)c1sccc1NC(=O)C1(CCCC1)[*:1]
COC(=O)c1sccc1NC(=O)C1(CC(C)C)CCCC1 COC(=O)[*:1] CC(C)CC1(CCCC1)C(=O)Nc1ccsc1[*:1]
COC(=O)c1sccc1NC(=O)C1(CC(C)C)CCCC1 CC(C)[*:1] COC(=O)c1sccc1NC(=O)C1(CCCC1)C[*:1]
Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1C Cc1ccc(cc1C)[*:1] O=C(N1CCC[C@H]1c1ccc2OCCCOc2c1)[*:1]
COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2C)cc1I Cc1ccc(c(C)c1)[*:1] COc1ccc(/C=N/NC(=O)CO[*:1])cc1I
O=C([O-])/C=C\c1ccc(OCc2ccc(Br)cc2)cc1 O=C([O-])[*:1] Brc1ccc(cc1)COc1ccc(C=C[*:1])cc1
O=C([O-])/C=C\c1ccc(OCc2ccc(Br)cc2)cc1 O=C([O-])C=C[*:1] Brc1ccc(cc1)COc1ccc(cc1)[*:1]
Cc1ncccc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1C Cc1ncccc1[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)N[*:1]
N#CCN(CC#N)c1ncnc(Nc2cccc3ncccc23)c1N N#CC[*:1] N#CCN(c1ncnc(Nc2cccc3ncccc23)c1N)[*:1]
N#CCN(CC#N)c1ncnc(Nc2cccc3ncccc23)c1N N#CCN(CC#N)[*:1] Nc1c(ncnc1[*:1])Nc1cccc2ncccc12
CSCC(=O)NNC(=O)c1cc2cc(C(F)(F)F)ccc2n1C CSC[*:1] Cn1c(cc2cc(ccc21)C(F)(F)F)C(=O)NNC(=O)[*:1]
CSCC(=O)NNC(=O)c1cc2cc(C(F)(F)F)ccc2n1C FC(F)(F)[*:1] CSCC(=O)NNC(=O)c1cc2cc(ccc2n1C)[*:1]
C[C@H](C(=O)Nc1nc(-c2ccccc2Cl)co1)N1C(=O)c2ccccc2C1=O Clc1ccccc1[*:1] C[C@H](C(=O)Nc1nc(co1)[*:1])N1C(=O)c2ccccc2C1=O
NC(=O)Cn1c(CN2CCC[C@H](C(F)(F)F)C2)nc2ccccc2c1=O NC(=O)C[*:1] O=c1c2ccccc2nc(CN2CCC[C@@H](C2)C(F)(F)F)n1[*:1]
NC(=O)Cn1c(CN2CCC[C@H](C(F)(F)F)C2)nc2ccccc2c1=O NC(=O)[*:1] O=c1c2ccccc2nc(CN2CCC[C@@H](C2)C(F)(F)F)n1C[*:1]
NC(=O)Cn1c(CN2CCC[C@H](C(F)(F)F)C2)nc2ccccc2c1=O FC(F)(F)[*:1] NC(=O)Cn1c(CN2CCC[C@H](C2)[*:1])nc2ccccc2c1=O
Cc1cccc(C(=O)Nc2c(C)nc3ncnn3c2O)c1 Cc1cccc(c1)[*:1] Cc1nc2ncnn2c(O)c1NC(=O)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)CNC(=O)NC)cc1 CNC(=O)N[*:1] CCOc1ccc(cc1)[C@H]1CCCN1C(=O)C[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)CNC(=O)NC)cc1 CCO[*:1] CNC(=O)NCC(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)CNC(=O)NC)cc1 CNC(=O)NC[*:1] CCOc1ccc(cc1)[C@H]1CCCN1C(=O)[*:1]
O=C(CC1CC1)N[C@@H]1CC[NH2+]C1 C1CC1C[*:1] O=C(N[C@@H]1CC[NH2+]C1)[*:1]
O=C(CC1CC1)N[C@@H]1CC[NH2+]C1 C1CC1[*:1] O=C(C[*:1])N[C@@H]1CC[NH2+]C1
Cc1ccc(-n2c(C)nc3nc([NH+]4CCCC4)nc([O-])c3c2=S)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nc2nc(nc([O-])c2c(=S)n1[*:1])[NH+]1CCCC1
CCc1ccc([C@@H](CO)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1 c1cc(co1)[*:1] CCc1ccc(cc1)[C@@H](CO)[NH2+]C1CCN(CC1)C(=O)[*:1]
CCc1ccc([C@@H](CO)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(c1ccoc1)N1CCC(CC1)[NH2+][C@H](CO)[*:1]
Cc1ccc(F)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 Cc1ccc(F)c(c1)[*:1] O=C(CSc1nnc(o1)-c1ccc(Cl)cc1)N[*:1]
Cc1ccc(F)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(F)c(c1)NC(=O)CSc1nnc(o1)[*:1]
CCn1nc(C(C)C)cc1C(=O)Oc1ccccc1OC CC(C)[*:1] CCn1nc(cc1C(=O)Oc1ccccc1OC)[*:1]
CC(C)CCC[C@@H](C)Nc1ccc(C#N)c(N)c1 CC(C)CCC[*:1] C[C@@H](Nc1ccc(C#N)c(N)c1)[*:1]
CC(C)CCC[C@@H](C)Nc1ccc(C#N)c(N)c1 CC(C)CC[*:1] C[C@H](C[*:1])Nc1ccc(C#N)c(N)c1
CC(C)CCC[C@@H](C)Nc1ccc(C#N)c(N)c1 CC(C)C[*:1] C[C@H](CC[*:1])Nc1ccc(C#N)c(N)c1
CC(C)CCC[C@@H](C)Nc1ccc(C#N)c(N)c1 CC(C)[*:1] C[C@H](CCC[*:1])Nc1ccc(C#N)c(N)c1
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 COc1ccc(cc1)[*:1] O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=C([O-])C[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@@H](C[*:1])NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-]
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H](CC(=O)[O-])NC(=O)c1ccc(Cl)c(c1)[*:1]
CCOc1cc(/C=C2/NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O COc1ccc(cc1)[*:1] CCOc1cc(/C=C2/NC(=S)N(C2=O)[*:1])ccc1O
CCOc1cc(/C=C2/NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O CCO[*:1] COc1ccc(cc1)N1C(=O)/C(=C\c2ccc(O)c(c2)[*:1])NC1=S
Cn1ccnc1C(=O)N1CCc2[nH]nc(COc3cccc(Cl)c3)c2C1 Cn1ccnc1[*:1] O=C(N1CCc2[nH]nc(COc3cccc(Cl)c3)c2C1)[*:1]
Cn1ccnc1C(=O)N1CCc2[nH]nc(COc3cccc(Cl)c3)c2C1 Clc1cccc(c1)[*:1] Cn1ccnc1C(=O)N1CCc2[nH]nc(CO[*:1])c2C1
Cn1ccnc1C(=O)N1CCc2[nH]nc(COc3cccc(Cl)c3)c2C1 Clc1cccc(c1)O[*:1] Cn1ccnc1C(=O)N1CCc2[nH]nc(C[*:1])c2C1
CCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)S/C1=N\S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CCN1C(=O)[C@@H](CC(=O)Nc2cccc(c2)OC)S/C1=N\S(=O)(=O)[*:1]
CCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)S/C1=N\S(=O)(=O)c1ccc(Cl)s1 COc1cccc(c1)[*:1] CCN1C(=O)[C@@H](CC(=O)N[*:1])S/C1=N\S(=O)(=O)c1ccc(Cl)s1
CCOC(=O)c1nn(CCO)c2c1CN(Cc1cn(C)c3ccccc13)CC2 OCC[*:1] CCOC(=O)c1nn(c2CCN(Cc12)Cc1cn(C)c2ccccc12)[*:1]
CCOC(=O)c1nn(CCO)c2c1CN(Cc1cn(C)c3ccccc13)CC2 CCOC(=O)[*:1] Cn1cc(CN2CCc3c(C2)c(nn3CCO)[*:1])c2ccccc21
NC(=O)C[NH+]1CCC(NC(=O)CCN2CCCC2=O)CC1 NC(=O)C[*:1] O=C(CCN1CCCC1=O)NC1CC[NH+](CC1)[*:1]
NC(=O)C[NH+]1CCC(NC(=O)CCN2CCCC2=O)CC1 NC(=O)[*:1] O=C(CCN1CCCC1=O)NC1CC[NH+](CC1)C[*:1]
NC(=O)C[NH+]1CCC(NC(=O)CCN2CCCC2=O)CC1 O=C1CCCN1C[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)C[*:1]
NC(=O)C[NH+]1CCC(NC(=O)CCN2CCCC2=O)CC1 O=C1CCCN1[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)CC[*:1]
Cc1cc2oc(=O)cc(C)c2cc1OCC(=O)NNC(=O)O O=C(O)NNC(=O)[*:1] Cc1cc2oc(=O)cc(C)c2cc1OC[*:1]
CC(C)c1cc(C(=O)N(c2ccc(O)cc2)S(=O)(=O)c2ccccc2)n[nH]1 Oc1ccc(cc1)[*:1] CC(C)c1cc(n[nH]1)C(=O)N(S(=O)(=O)c1ccccc1)[*:1]
CC(C)c1cc(C(=O)N(c2ccc(O)cc2)S(=O)(=O)c2ccccc2)n[nH]1 CC(C)[*:1] O=C(c1cc([nH]n1)[*:1])N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1
CC(C)c1cc(C(=O)N(c2ccc(O)cc2)S(=O)(=O)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] CC(C)c1cc(n[nH]1)C(=O)N(c1ccc(O)cc1)S(=O)(=O)[*:1]
O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)C(=O)c1ccco1
O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccco1
CC1=NN(Cc2ccccc2Cl)C(=O)[C@]12Cc1c(C)nn(-c3ccccc3)c1N1CCCC[C@@H]12 Clc1ccccc1[*:1] CC1=NN(C[*:1])C(=O)[C@]12Cc1c(C)nn(-c3ccccc3)c1N1CCCC[C@@H]12
CC1=NN(Cc2ccccc2Cl)C(=O)[C@]12Cc1c(C)nn(-c3ccccc3)c1N1CCCC[C@@H]12 Clc1ccccc1C[*:1] CC1=NN(C(=O)[C@]12Cc1c(C)nn(-c3ccccc3)c1N1CCCC[C@@H]12)[*:1]
CC1=NN(Cc2ccccc2Cl)C(=O)[C@]12Cc1c(C)nn(-c3ccccc3)c1N1CCCC[C@@H]12 c1ccc(cc1)[*:1] CC1=NN(Cc2ccccc2Cl)C(=O)[C@]12Cc1c(C)nn(c1N1CCCC[C@@H]12)[*:1]
Cc1c(C(=O)NC[C@@H](C)Sc2ccccc2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@@H](C)Sc1ccccc1
Cc1c(C(=O)NC[C@@H](C)Sc2ccccc2)cnn1-c1ccncc1 c1ccc(cc1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)NC[C@@H](C)S[*:1]
Cc1c(C(=O)NC[C@@H](C)Sc2ccccc2)cnn1-c1ccncc1 c1ccc(cc1)S[*:1] Cc1c(cnn1-c1ccncc1)C(=O)NC[C@@H](C)[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1 CC[C@H](C)[*:1] O=C(N[C@H](C(=O)Nc1ccccc1)[*:1])c1ccccc1
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)[*:1])C(=O)Nc1ccccc1
CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)[*:1]
CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)c1cccc(Br)c1 c1ccc(cc1)[*:1] CC(=C[*:1])/C=N/NC(=O)CNC(=O)c1cccc(Br)c1
OCC[C@@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)C1CC1 OCC[*:1] Clc1ccc2CCC[C@H]([NH2+][C@@H](C3CC3)[*:1])c2c1
OCC[C@@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)C1CC1 C1CC1[*:1] OCC[C@@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)[*:1]
NC(=O)c1cccc([N+](=O)[O-])c1N NC(=O)[*:1] Nc1c(cccc1[*:1])[N+](=O)[O-]
NC(=O)c1cccc([N+](=O)[O-])c1N O=[N+]([O-])[*:1] NC(=O)c1cccc(c1N)[*:1]
Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)n1N Cc1occc1[*:1] CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc(n1N)[*:1]
CC(C)OC(=O)c1nc2ccccc2nc1Nc1ccccc1 c1ccc(cc1)N[*:1] CC(C)OC(=O)c1nc2ccccc2nc1[*:1]
CC(C)OC(=O)c1nc2ccccc2nc1Nc1ccccc1 CC(C)OC(=O)[*:1] c1ccc(cc1)Nc1nc2ccccc2nc1[*:1]
CC(C)OC(=O)c1nc2ccccc2nc1Nc1ccccc1 CC(C)[*:1] O=C(O[*:1])c1nc2ccccc2nc1Nc1ccccc1
CC(C)OC(=O)c1nc2ccccc2nc1Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)OC(=O)c1nc2ccccc2nc1N[*:1]
Cc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(S(=O)(=O)c5ccccc5)C4)nc32)cc1 Cc1ccc(cc1)[*:1] O=c1[nH]c(nc2c1nnn2C[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1
Cc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(S(=O)(=O)c5ccccc5)C4)nc32)cc1 Cc1ccc(cc1)C[*:1] O=c1[nH]c(nc2c1nnn2[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1
Cc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(S(=O)(=O)c5ccccc5)C4)nc32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1nnc2c(=O)[nH]c(nc21)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cc(NC(=O)/C=C/c2c(C)nn(C)c2Cl)c(C(N)=O)cc1F Cc1nn(C)c(Cl)c1[*:1] Cc1cc(NC(=O)C=C[*:1])c(cc1F)C(N)=O
Cc1cc(NC(=O)/C=C/c2c(C)nn(C)c2Cl)c(C(N)=O)cc1F NC(=O)[*:1] Cc1cc(NC(=O)/C=C/c2c(C)nn(C)c2Cl)c(cc1F)[*:1]
C[C@H](Nc1nc2ccc(Br)cn2n1)c1cccs1 c1csc(c1)[*:1] C[C@H](Nc1nc2ccc(Br)cn2n1)[*:1]
Cc1cccc(NC(=O)COc2cccc3ccc(N4CCCC4)nc23)c1C Cc1cccc(c1C)[*:1] O=C(COc1cccc2ccc(nc12)N1CCCC1)N[*:1]
Cc1cccc(NC(=O)COc2cccc3ccc(N4CCCC4)nc23)c1C C1CCN(C1)[*:1] Cc1cccc(NC(=O)COc2cccc3ccc(nc23)[*:1])c1C
C[C@H]1CN(C(=O)Nc2cccc(OC(F)(F)F)c2)C[C@@H](C)O1 FC(F)(F)O[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cccc(c1)[*:1]
C[C@H]1CN(C(=O)Nc2cccc(OC(F)(F)F)c2)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cccc(c1)O[*:1]
C[C@H](Cc1ccccc1)NC(=O)c1csc(C#CCO)c1 OCC#C[*:1] C[C@H](Cc1ccccc1)NC(=O)c1csc(c1)[*:1]
C[C@H](Cc1ccccc1)NC(=O)c1csc(C#CCO)c1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)c1csc(C#CCO)c1)[*:1]
C[C@H](Cc1ccccc1)NC(=O)c1csc(C#CCO)c1 c1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)c1csc(C#CCO)c1
CC[NH2+][C@H](CCc1ccc(C)cc1)Cc1ncccc1C Cc1cccnc1[*:1] CC[NH2+][C@H](CCc1ccc(C)cc1)C[*:1]
CC[NH2+][C@H](CCc1ccc(C)cc1)Cc1ncccc1C Cc1ccc(cc1)[*:1] CC[NH2+][C@H](CC[*:1])Cc1ncccc1C
CC(C)(C)c1cc(NC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)on1 CC(C)(C)[*:1] O=C(Nc1cc(no1)[*:1])C1CN(C1)C(=O)c1ccc(o1)[N+](=O)[O-]
CC(C)(C)c1cc(NC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)on1 O=[N+]([O-])[*:1] CC(C)(C)c1cc(NC(=O)C2CN(C2)C(=O)c2ccc(o2)[*:1])on1
CC(C)(C)c1cc(NC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)on1 O=[N+]([O-])c1ccc(o1)[*:1] CC(C)(C)c1cc(NC(=O)C2CN(C2)C(=O)[*:1])on1
CCC1(CNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCC1 O=[N+]([O-])[*:1] CCC1(CCC1)CNS(=O)(=O)c1ccc(cc1[*:1])OC
CCC1(CNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCC1 CCC1(CCC1)C[*:1] COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N[*:1]
CCC1(CNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCC1 CCC1(CCC1)[*:1] COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)NC[*:1]
CCCCNC(=O)COc1cc(C(=O)N(C)C)ccc1C CCC[*:1] Cc1ccc(cc1OCC(=O)NC[*:1])C(=O)N(C)C
CCCCNC(=O)COc1cc(C(=O)N(C)C)ccc1C CCCCNC(=O)[*:1] Cc1ccc(cc1OC[*:1])C(=O)N(C)C
CCCCNC(=O)COc1cc(C(=O)N(C)C)ccc1C CCCC[*:1] Cc1ccc(cc1OCC(=O)N[*:1])C(=O)N(C)C
CCCCNC(=O)COc1cc(C(=O)N(C)C)ccc1C CN(C)C(=O)[*:1] CCCCNC(=O)COc1cc(ccc1C)[*:1]
CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1sccc1Br Brc1ccsc1[*:1] CCN(Cc1ccc(cc1)OC)S(=O)(=O)[*:1]
Cn1cc(CNc2cccc(CC[NH+]3CCCC3)c2)c(-c2cccnc2)n1 c1cncc(c1)[*:1] Cn1cc(CNc2cccc(c2)CC[NH+]2CCCC2)c(n1)[*:1]
CCOC(=O)c1ccccc1-c1csc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)n1 CCOC(=O)c1ccccc1[*:1] Cc1onc(c1C(=O)Nc1nc(cs1)[*:1])-c1c(F)cccc1Cl
CCOC(=O)c1ccccc1-c1csc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)n1 Fc1cccc(Cl)c1[*:1] CCOC(=O)c1ccccc1-c1csc(n1)NC(=O)c1c(noc1C)[*:1]
CCOC(=O)c1ccccc1-c1csc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)n1 CCOC(=O)[*:1] Cc1onc(c1C(=O)Nc1nc(cs1)-c1ccccc1[*:1])-c1c(F)cccc1Cl
CCC[C@@H]([NH2+][C@@H]1CCN(C(=O)NCC)C1)c1ccccn1 c1ccc(nc1)[*:1] CCC[C@@H]([NH2+][C@@H]1CCN(C1)C(=O)NCC)[*:1]
CCC[C@@H]([NH2+][C@@H]1CCN(C(=O)NCC)C1)c1ccccn1 CCC[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](c1ccccn1)[*:1]
CCOc1cc(C)c(S(=O)(=O)NCC[NH+]2CCOCC2)cc1C CCO[*:1] Cc1cc(c(C)cc1S(=O)(=O)NCC[NH+]1CCOCC1)[*:1]
CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-n2cccn2)cc1 N#Cc1cccc(c1)[*:1] CN(C[*:1])C(=O)NCc1ccc(cc1)-n1cccn1
CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(cc1)[*:1]
O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1cccnc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2nc([N-]S(=O)(=O)[*:1])sc2c1)c1cccnc1
O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)[*:1]
O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1cccnc1 O=C(N[*:1])c1cccnc1 O=S(=O)([N-]c1nc2ccc(cc2s1)[*:1])c1ccccc1
O=C(CCc1cnccn1)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 c1cnc(cn1)CC[*:1] O=C1C[C@H](CN1C1CCCCCC1)NC(=O)[*:1]
O=C(CCc1cnccn1)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 C1CCCC(CC1)[*:1] O=C(CCc1cnccn1)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(CCc1cnccn1)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 c1cnc(cn1)C[*:1] O=C(C[*:1])N[C@@H]1CC(=O)N(C1)C1CCCCCC1
O=C(CCc1cnccn1)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 c1cnc(cn1)[*:1] O=C(CC[*:1])N[C@@H]1CC(=O)N(C1)C1CCCCCC1
CC(C)(CNC(=O)COc1ccccc1N)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNC(=O)COc1ccccc1N)[*:1]
C[C@H](OC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](OC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[*:1]
COC(=O)c1cncc(-c2cccc(Br)n2)c1 COC(=O)[*:1] Brc1cccc(n1)-c1cncc(c1)[*:1]
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1 Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[*:1]
CCS(=O)(=O)c1ccccc1C(=O)N(CC[NH+](C)C)c1nc2c(C)cc(Cl)cc2s1 CCS(=O)(=O)[*:1] Cc1cc(Cl)cc2sc(nc12)N(CC[NH+](C)C)C(=O)c1ccccc1[*:1]
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)N1CCN(CC1)CC(=O)N[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 O=C(C[*:1])Nc1cccc(F)c1 Cc1nc([nH]c(=O)c1CCC(=O)N1CCN(CC1)[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 C1CN(CCO1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)N1CCN(CC1)CC(=O)Nc1cccc(F)c1)[*:1]
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 O=C(Nc1cccc(F)c1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)N1CCN(CC1)C[*:1])N1CCOCC1
C[C@H]1CN(C(=O)C(=O)NCCc2cccs2)c2ccccc21 c1csc(c1)[*:1] C[C@H]1CN(C(=O)C(=O)NCC[*:1])c2ccccc21
C[C@H]1CN(C(=O)C(=O)NCCc2cccs2)c2ccccc21 c1csc(c1)CC[*:1] C[C@H]1CN(C(=O)C(=O)N[*:1])c2ccccc21
C[C@H]1CN(C(=O)C(=O)NCCc2cccs2)c2ccccc21 c1csc(c1)C[*:1] C[C@H]1CN(C(=O)C(=O)NC[*:1])c2ccccc21
C[C@@H](CCc1cccc(F)c1)C(=O)NC(C)(C)c1nccs1 Fc1cccc(c1)[*:1] C[C@@H](CC[*:1])C(=O)NC(C)(C)c1nccs1
C[C@@H](CCc1cccc(F)c1)C(=O)NC(C)(C)c1nccs1 c1csc(n1)[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)NC(C)(C)[*:1]
O=S1(=O)CC[C@H]([C@@H](CBr)CCSc2ccccc2)C1 c1ccc(cc1)[*:1] O=S1(=O)CC[C@@H](C1)[C@@H](CBr)CCS[*:1]
CCC1(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CCCC1 NS(=O)(=O)[*:1] CCC1(CCCC1)C(=O)Nc1ccc(C)c(c1)[*:1]
CCC1(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CCCC1 CCC1(CCCC1)[*:1] Cc1ccc(cc1S(N)(=O)=O)NC(=O)[*:1]
O=C(NCc1ccccc1F)C1CCN(c2nnnn2-c2ccccc2)CC1 Fc1ccccc1C[*:1] O=C(N[*:1])C1CCN(CC1)c1nnnn1-c1ccccc1
O=C(NCc1ccccc1F)C1CCN(c2nnnn2-c2ccccc2)CC1 Fc1ccccc1[*:1] O=C(NC[*:1])C1CCN(CC1)c1nnnn1-c1ccccc1
O=C(NCc1ccccc1F)C1CCN(c2nnnn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1F)C1CCN(CC1)c1nnnn1[*:1]
CCN(C(=O)c1ccc(C)cc1NN)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)c1ccc(C)cc1NN)[*:1]
NC(=O)c1nn(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)c(=O)c2ccccc12 C1CCN(CC1)[*:1] NC(=O)c1nn(CC(=O)Nc2cc(Cl)ccc2[*:1])c(=O)c2ccccc12
NC(=O)c1nn(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)c(=O)c2ccccc12 NC(=O)[*:1] O=C(Cn1nc(c2ccccc2c1=O)[*:1])Nc1cc(Cl)ccc1N1CCCCC1
CC1(C)C[NH+](CCCCC#N)C1 N#CC[*:1] CC1(C)C[NH+](CCC[*:1])C1
CC1(C)C[NH+](CCCCC#N)C1 N#CCC[*:1] CC1(C)C[NH+](CC[*:1])C1
O=C1c2cccc3cccc(c23)N1C[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1c2cccc3cccc(c23)N1C[C@H](O)[*:1]
C#CCn1/c(=N\C(=O)c2ccnn2C)sc2cc(C)ccc21 C#CC[*:1] Cc1ccc2c(c1)s/c(=N/C(=O)c1ccnn1C)n2[*:1]
C#CCn1/c(=N\C(=O)c2ccnn2C)sc2cc(C)ccc21 Cn1nccc1[*:1] C#CCn1/c(=N\C(=O)[*:1])sc2cc(C)ccc21
COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)C(=O)N[*:1]
COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1)C(=O)N1CCC[C@@H]1[*:1]
Cc1cc(CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)on1 Cc1cc(C[*:1])on1 O=C(CCC[NH+]1CCN(CC1)c1ccccc1)N[*:1]
Cc1cc(CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)on1 c1ccc(cc1)[*:1] Cc1cc(CNC(=O)CCC[NH+]2CCN(CC2)[*:1])on1
Cc1cc(CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)on1 Cc1cc(on1)[*:1] O=C(CCC[NH+]1CCN(CC1)c1ccccc1)NC[*:1]
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)Nc1ccc2[nH]ccc2c1 FC(F)O[*:1] O=C(NC[C@@H](O)c1cccc(c1)[*:1])Nc1ccc2[nH]ccc2c1
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)Nc1ccc2[nH]ccc2c1 FC(F)[*:1] O=C(NC[C@@H](O)c1cccc(c1)O[*:1])Nc1ccc2[nH]ccc2c1
CC(C)(C)C(=O)NNC(=O)c1cnc2ccccn2c1=O CC(C)(C)[*:1] O=C(NNC(=O)[*:1])c1cnc2ccccn2c1=O
CC(C)(C)c1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)nn1 CC(C)(C)[*:1] O=C(NCCc1cccc(c1)[N+](=O)[O-])Nc1ccc(nn1)[*:1]
CC(C)(C)c1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)nn1 O=[N+]([O-])[*:1] CC(C)(C)c1ccc(nn1)NC(=O)NCCc1cccc(c1)[*:1]
O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCCCC1 O=[N+]([O-])[*:1] O=C(NCc1cccc(c1)[*:1])N1CCCCCC1
Cc1ccc(C)c(CN2C(=O)c3ccccc3[S@@](=O)c3ccc(C(=O)N4CCCCC4)cc32)c1 Cc1ccc(C)c(c1)C[*:1] O=C(c1ccc2c(c1)N(C(=O)c1ccccc1[S@]2=O)[*:1])N1CCCCC1
Cc1ccc(C)c(CN2C(=O)c3ccccc3[S@@](=O)c3ccc(C(=O)N4CCCCC4)cc32)c1 Cc1ccc(C)c(c1)[*:1] O=C(c1ccc2c(c1)N(C[*:1])C(=O)c1ccccc1[S@]2=O)N1CCCCC1
Cc1ccc(C)c(CN2C(=O)c3ccccc3[S@@](=O)c3ccc(C(=O)N4CCCCC4)cc32)c1 O=C(N1CCCCC1)[*:1] Cc1ccc(C)c(c1)CN1C(=O)c2ccccc2[S@@](=O)c2ccc(cc21)[*:1]
C=CCN(Cc1csc(COc2cccc(C)c2)n1)C(C)=O C=CCN(C(C)=O)[*:1] Cc1cccc(c1)OCc1nc(cs1)C[*:1]
C=CCN(Cc1csc(COc2cccc(C)c2)n1)C(C)=O C=CC[*:1] CC(=O)N(Cc1csc(COc2cccc(C)c2)n1)[*:1]
C=CCN(Cc1csc(COc2cccc(C)c2)n1)C(C)=O Cc1cccc(c1)[*:1] C=CCN(Cc1csc(CO[*:1])n1)C(C)=O
C[C@@H](NC(=O)NCc1ccnc(OC2CCCC2)c1)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)OC1CCCC1)[*:1]
C[C@@H](NC(=O)NCc1ccnc(OC2CCCC2)c1)c1ccc(C#N)cc1 C1CCC(C1)[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)O[*:1])c1ccc(C#N)cc1
C[C@@H](NC(=O)NCc1ccnc(OC2CCCC2)c1)c1ccc(C#N)cc1 C1CCC(C1)O[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)[*:1])c1ccc(C#N)cc1
Cc1csc(-n2nnc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2C)n1 c1cc2OCOc2cc1[*:1] Cc1csc(n1)-n1nnc(C(=O)N2CCN(CC2)C[*:1])c1C
Cc1csc(-n2nnc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2C)n1 Cc1csc(n1)[*:1] Cc1c(nnn1[*:1])C(=O)N1CCN(CC1)Cc1ccc2OCOc2c1
Cc1csc(-n2nnc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2C)n1 c1cc2OCOc2cc1C[*:1] Cc1csc(n1)-n1nnc(C(=O)N2CCN(CC2)[*:1])c1C
Cc1ccc(CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1 NC(=O)CCNC(=O)[*:1] Cc1ccc(cc1)CNC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1 NC(=O)CC[*:1] Cc1ccc(cc1)CNC(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1ccc(CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1 Cc1ccc(cc1)C[*:1] NC(=O)CCNC(=O)c1cccc(c1)NC(=O)N[*:1]
Cc1ccc(CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1 NC(=O)C[*:1] Cc1ccc(cc1)CNC(=O)Nc1cccc(c1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1 Cc1ccc(cc1)[*:1] NC(=O)CCNC(=O)c1cccc(c1)NC(=O)NC[*:1]
Cc1ccc(CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1 NC(=O)[*:1] Cc1ccc(cc1)CNC(=O)Nc1cccc(c1)C(=O)NCC[*:1]
Cc1ccsc1C(=O)Nc1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccsc1C(=O)Nc1cccc(c1)OC[*:1]
Cc1ccsc1C(=O)Nc1cccc(OCC(=O)N(C)C)c1 Cc1ccsc1[*:1] CN(C)C(=O)COc1cccc(c1)NC(=O)[*:1]
Cc1ccsc1C(=O)Nc1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)CO[*:1] Cc1ccsc1C(=O)Nc1cccc(c1)[*:1]
Cc1ccsc1C(=O)Nc1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] Cc1ccsc1C(=O)Nc1cccc(c1)O[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N(CC(C)(C)O)C(C)C CC(C)(O)[*:1] Cc1cn(nc1NC(=O)N(C[*:1])C(C)C)-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N(CC(C)(C)O)C(C)C CC(C)(O)C[*:1] Cc1cn(nc1NC(=O)N(C(C)C)[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N(CC(C)(C)O)C(C)C Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)N(CC(C)(C)O)C(C)C)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N(CC(C)(C)O)C(C)C CC(C)[*:1] Cc1cn(nc1NC(=O)N(CC(C)(C)O)[*:1])-c1ccccc1Cl
CC(C)CN1C(N)=[NH+]C[C@H]1C[C@@H](C)c1ccccc1 CC(C)[*:1] C[C@H](C[C@@H]1C[NH+]=C(N)N1C[*:1])c1ccccc1
CC(C)CN1C(N)=[NH+]C[C@H]1C[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CN1C(N)=[NH+]C[C@H]1C[C@@H](C)[*:1]
CC(C)CN1C(N)=[NH+]C[C@H]1C[C@@H](C)c1ccccc1 CC(C)C[*:1] C[C@H](C[C@@H]1C[NH+]=C(N)N1[*:1])c1ccccc1
C[C@H](O)CN1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC1 c1csc(c1)[*:1] C[C@H](O)CN1CCN(CC1)C(=O)C[C@H](NC(N)=O)[*:1]
C[C@H](O)CN1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC1 NC(=O)N[*:1] C[C@H](O)CN1CCN(CC1)C(=O)C[C@H](c1cccs1)[*:1]
C[C@H](O)CN1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC1 C[C@H](O)[*:1] NC(=O)N[C@@H](CC(=O)N1CCN(CC1)C[*:1])c1cccs1
C[C@H](O)CN1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC1 C[C@H](O)C[*:1] NC(=O)N[C@@H](CC(=O)N1CCN(CC1)[*:1])c1cccs1
COC(=O)C1(c2nc(C3CC3)no2)CC1 COC(=O)[*:1] C1CC1c1noc(n1)C1(CC1)[*:1]
COC(=O)C1(c2nc(C3CC3)no2)CC1 C1CC1[*:1] COC(=O)C1(CC1)c1nc(no1)[*:1]
COC(=O)[C@@H](C)[C@@H](C)[NH2+]CC1(O)CCC(C)(C)CC1 COC(=O)[C@@H](C)[*:1] C[C@@H]([NH2+]CC1(O)CCC(C)(C)CC1)[*:1]
COC(=O)[C@@H](C)[C@@H](C)[NH2+]CC1(O)CCC(C)(C)CC1 COC(=O)[*:1] C[C@@H]([C@@H](C)[NH2+]CC1(O)CCC(C)(C)CC1)[*:1]
CCOc1ccc([N-]S(=O)(=O)[C@H]2C(C)=NC(C)=C2C(=O)N2CCCCC2)cc1 CCOc1ccc(cc1)[*:1] CC1=NC(C)=C(C(=O)N2CCCCC2)[C@H]1S(=O)(=O)[N-][*:1]
CCOc1ccc([N-]S(=O)(=O)[C@H]2C(C)=NC(C)=C2C(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] CCOc1ccc(cc1)[N-]S(=O)(=O)[C@H]1C(C)=NC(C)=C1[*:1]
CCOc1ccc([N-]S(=O)(=O)[C@H]2C(C)=NC(C)=C2C(=O)N2CCCCC2)cc1 CCO[*:1] CC1=NC(C)=C(C(=O)N2CCCCC2)[C@H]1S(=O)(=O)[N-]c1ccc(cc1)[*:1]
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] O=C1N[C@H](c2ccc3OCOc3c2)[C@@H](C(=O)[*:1])[C@](O)(N1)C(F)(F)F
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)C(=O)[C@@H]1[C@@H](NC(=O)N[C@]1(O)C(F)(F)F)[*:1]
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(=O)[C@@H]1[C@H](NC(=O)N[C@@]1(O)[*:1])c1ccc2OCOc2c1
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1N[C@H](c2ccc3OCOc3c2)[C@H]([C@](O)(N1)C(F)(F)F)[*:1]
CC(=O)c1csc(NC(=O)CCc2ccccc2Cl)n1 CC(=O)[*:1] O=C(CCc1ccccc1Cl)Nc1nc(cs1)[*:1]
Cc1nccn1-c1cncc(N[C@@H]2CCC[C@H]2CO)n1 Cc1nccn1[*:1] OC[C@@H]1CCC[C@H]1Nc1cncc(n1)[*:1]
COc1ccc(OC)c(NCCn2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 COc1ccc(OC)c(c1)[*:1] Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](CO)C2)C1 CC[S@@](=O)[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])N1CCC[C@H](CO)C1
Cn1cc(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])cn1 Cn1cc(cn1)[*:1] O=C([O-])[C@H]1CCCCC[C@H]1NC(=O)[*:1]
Cn1cc(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])cn1 O=C([O-])[*:1] Cn1cc(cn1)C(=O)N[C@@H]1CCCCC[C@H]1[*:1]
O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccccc1Oc1ccccc1 c1csc(c1)[*:1] O=C(CSc1nc(n[nH]1)[*:1])Nc1ccccc1Oc1ccccc1
O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(CSc1nc(n[nH]1)-c1cccs1)Nc1ccccc1[*:1]
O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc(n[nH]1)-c1cccs1)Nc1ccccc1O[*:1]
COC(=O)C[C@@H]1CN(Cc2ccc3ccccc3n2)CCO1 COC(=O)C[*:1] c1ccc2nc(ccc2c1)CN1CCO[C@@H](C1)[*:1]
COC(=O)C[C@@H]1CN(Cc2ccc3ccccc3n2)CCO1 COC(=O)[*:1] c1ccc2nc(ccc2c1)CN1CCO[C@@H](C1)C[*:1]
Cc1ccc(CN(C)C(=O)c2cn(C)nc2C(C)(C)C)cc1 Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cn(C)nc1C(C)(C)C
Cc1ccc(CN(C)C(=O)c2cn(C)nc2C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)CN(C)C(=O)c1cn(C)nc1[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)[C@@H](C)NC(=O)c4ccccc4)CC3)cc2)no1 CCc1nc(no1)[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)[C@@H](C)NC(=O)c4ccccc4)CC3)cc2)no1 c1ccc(cc1)[*:1] CCc1nc(no1)-c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](C)NC(=O)[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)[C@@H](C)NC(=O)c4ccccc4)CC3)cc2)no1 O=C(N[*:1])c1ccccc1 CCc1nc(no1)-c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](C)[*:1]
CC(C)C[C@H]([NH2+][C@H]1CS[C@H](C)C1)C(=O)N(C)C CC(C)[*:1] C[C@@H]1C[C@H](CS1)[NH2+][C@@H](C[*:1])C(=O)N(C)C
CC(C)C[C@H]([NH2+][C@H]1CS[C@H](C)C1)C(=O)N(C)C CC(C)C[*:1] C[C@@H]1C[C@H](CS1)[NH2+][C@H](C(=O)N(C)C)[*:1]
CC(C)C[C@H]([NH2+][C@H]1CS[C@H](C)C1)C(=O)N(C)C CN(C)C(=O)[*:1] CC(C)C[C@H]([NH2+][C@H]1CS[C@H](C)C1)[*:1]
C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(ccc1Cl)[*:1]
C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 O=[N+]([O-])c1ccc(Cl)c(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccccc1[N-]S(=O)(=O)[*:1]
Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 FC(F)(F)[*:1] Cc1c(C(=O)[*:1])c2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1
Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)N[*:1]
Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 O=C(C(F)(F)F)[*:1] Cc1c(c2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
Fc1ccc(C[NH2+]CCCCN2CCOCC2)c(F)c1 C1CN(CCO1)[*:1] Fc1ccc(C[NH2+]CCCC[*:1])c(F)c1
C[C@@H](CC#N)Sc1ccccc1NCc1noc(C2CC2)n1 N#CC[*:1] C[C@@H](Sc1ccccc1NCc1noc(n1)C1CC1)[*:1]
C[C@@H](CC#N)Sc1ccccc1NCc1noc(C2CC2)n1 C1CC1[*:1] C[C@@H](CC#N)Sc1ccccc1NCc1noc(n1)[*:1]
COc1cc2c(cc1F)nc(CCl)n2Cc1cscc1C Cc1cscc1[*:1] COc1cc2c(cc1F)nc(CCl)n2C[*:1]
COc1cc2c(cc1F)nc(CCl)n2Cc1cscc1C Cc1cscc1C[*:1] COc1cc2c(cc1F)nc(CCl)n2[*:1]
CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)n1 COc1ccc(C)cc1[*:1] CCNc1nc(C)cc(n1)N1CCN(CC1)S(=O)(=O)[*:1]
CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)n1 CCN[*:1] COc1ccc(C)cc1S(=O)(=O)N1CCN(CC1)c1cc(C)nc(n1)[*:1]
O=C(CCn1nc(-c2cccs2)oc1=O)N1CCN(Cc2cccc3ccccc23)CC1 c1ccc2c(cccc2c1)[*:1] O=C(CCn1nc(oc1=O)-c1cccs1)N1CCN(CC1)C[*:1]
O=C(CCn1nc(-c2cccs2)oc1=O)N1CCN(Cc2cccc3ccccc23)CC1 c1csc(c1)[*:1] O=C(CCn1nc(oc1=O)[*:1])N1CCN(CC1)Cc1cccc2ccccc12
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(CCc1nc(no1)-c1ccc(Cl)cc1)OC[*:1]
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)OC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(CCc1nc(no1)-c1ccc(Cl)cc1)O[*:1]
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)OC[C@H]1CCCO1 Clc1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])OC[C@H]1CCCO1
CC1(C)CC(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC(C)(C)[NH2+]1 O=S(=O)(N1CCCC1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)c1sccc1[*:1]
O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1nc(cs1)-c1ccc2OCCOc2c1)[*:1]
O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1nc(cs1)-c1ccc2OCCOc2c1)c1cccc(c1)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N[C@@H](C)CC3CC3)ccc21 C1CC1C[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N[C@@H](C)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N[C@@H](C)CC3CC3)ccc21 CCC[*:1] C[C@@H](CC1CC1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N[C@@H](C)CC3CC3)ccc21 C1CC1[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N[C@@H](C)C[*:1]
CCO[C@H]1C[C@@H]1C(=O)NCc1nc(C)sc1C CCO[*:1] Cc1nc(CNC(=O)[C@H]2C[C@@H]2[*:1])c(C)s1
Cc1nsc(NC(=O)N2CCC[C@@H](C)C2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NC(=O)N2CCC[C@@H](C)C2)c1[*:1]
O=S(=O)(NCc1ccsc1)c1ccc(F)c(F)c1F c1cc(cs1)C[*:1] O=S(=O)(N[*:1])c1ccc(F)c(F)c1F
O=S(=O)(NCc1ccsc1)c1ccc(F)c(F)c1F c1cc(cs1)[*:1] O=S(=O)(NC[*:1])c1ccc(F)c(F)c1F
Cc1csc(SCC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1 Fc1ccc(cc1Cl)[*:1] Cc1csc(n1)SCC1CCN(CC1)S(=O)(=O)[*:1]
Cc1csc(SCC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1 Cc1csc(n1)SC[*:1] O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(CC1)[*:1]
Cc1csc(SCC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1 Cc1csc(n1)[*:1] O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(CC1)CS[*:1]
Cc1csc(SCC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1 Cc1csc(n1)S[*:1] O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(CC1)C[*:1]
CCc1nsc(NCC(=O)NC(C)(C)C)n1 CC(C)(C)[*:1] CCc1nsc(n1)NCC(=O)N[*:1]
CC(C)[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)C1CC1 C1CC1[*:1] CC(C)[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[*:1]
CC(C)[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)C1CC1 CC(C)[*:1] c1[nH]nc2CC[C@H](Cc12)[NH2+][C@@H](C1CC1)[*:1]
C[C@@H]1CN(C(=O)Cn2cc(NC3CCCCC3)cn2)C[C@@H](C)O1 C1CCC(CC1)N[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Cn1cc(cn1)[*:1]
C[C@@H]1CN(C(=O)Cn2cc(NC3CCCCC3)cn2)C[C@@H](C)O1 C1CCC(CC1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Cn1cc(cn1)N[*:1]
CC(=O)Nc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 CC(=O)N[*:1] O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(cc1)[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@H]1[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(F)c1 Cc1nn(C)c(C)c1[*:1] C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccc(F)c1
COc1cc(C)ccc1NC(=O)NC[C@@](C)(O)CCC(C)C CC(C)[*:1] COc1cc(C)ccc1NC(=O)NC[C@@](C)(O)CC[*:1]
COc1cc(C)ccc1NC(=O)NC[C@@](C)(O)CCC(C)C CC(C)C[*:1] COc1cc(C)ccc1NC(=O)NC[C@@](C)(O)C[*:1]
COc1cc(C)ccc1NC(=O)NC[C@@](C)(O)CCC(C)C CC(C)CC[*:1] COc1cc(C)ccc1NC(=O)NC[C@@](C)(O)[*:1]
Cn1cc(S(=O)(=O)Nc2cccc(C#N)c2)cc1C(N)=O NC(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)Nc1cccc(C#N)c1
Cc1ccc(C)c(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)N2CCN(C(=O)c3ccco3)CC2)c1 Cc1cc(C)nc(n1)[*:1] Cc1ccc(C)c(c1)NC(=S)/N=C(/N[*:1])N1CCN(CC1)C(=O)c1ccco1
Cc1ccc(C)c(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)N2CCN(C(=O)c3ccco3)CC2)c1 c1coc(c1)[*:1] Cc1ccc(C)c(c1)NC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C)c(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)N2CCN(C(=O)c3ccco3)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cc(C)nc(n1)N/C(=N/C(=S)N[*:1])N1CCN(CC1)C(=O)c1ccco1
COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 COc1ccc(Cl)cc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-c1cccs1
COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 c1csc(c1)[*:1] COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
Cc1cccc([C@@H]2CCCN(C(=O)CCCn3nnnc3CN3CCOCC3)C2)c1 C1CN(CCO1)C[*:1] Cc1cccc(c1)[C@@H]1CCCN(C1)C(=O)CCCn1nnnc1[*:1]
Cc1cccc([C@@H]2CCCN(C(=O)CCCn3nnnc3CN3CCOCC3)C2)c1 Cc1cccc(c1)[*:1] O=C(CCCn1nnnc1CN1CCOCC1)N1CCC[C@H](C1)[*:1]
Cc1cccc([C@@H]2CCCN(C(=O)CCCn3nnnc3CN3CCOCC3)C2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H]1CCCN(C1)C(=O)CCCn1nnnc1C[*:1]
CC(=O)Nc1ccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
CC(=O)Nc1ccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1 CC(=O)N[*:1] O=C(Nc1nc(cs1)-c1c[nH]c2ccccc12)c1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)OCCOC CC[C@@H](C)[*:1] COCCO[C@@H](C)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@H](C)OCCOC COCC[*:1] CC[C@@H](C)NC(=O)[C@H](C)O[*:1]
CC[C@@H](C)NC(=O)[C@H](C)OCCOC COC[*:1] CC[C@@H](C)NC(=O)[C@H](C)OC[*:1]
O=C(CCOc1ccccc1)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(CCO[*:1])NC1CCCCC1
O=C(CCOc1ccccc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCOc1ccccc1)N[*:1]
CCCCC1CCC(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 CCC[*:1] O=C(NNC(=O)C1CCC(CC1)C[*:1])c1ccc2OCCOc2c1
CCCCC1CCC(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 CCCC[*:1] O=C(NNC(=O)C1CCC(CC1)[*:1])c1ccc2OCCOc2c1
CC(C)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)[C@H](C)[NH3+] c1ccc(cc1)[*:1] CC(C)N(CC1CCN(CC1)C(=O)OC[*:1])C(=O)[C@H](C)[NH3+]
CC(C)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)[C@H](C)[NH3+] CC(C)[*:1] C[C@H]([NH3+])C(=O)N(CC1CCN(CC1)C(=O)OCc1ccccc1)[*:1]
CC(C)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)[C@H](C)[NH3+] c1ccc(cc1)C[*:1] CC(C)N(CC1CCN(CC1)C(=O)O[*:1])C(=O)[C@H](C)[NH3+]
COc1ccc2[nH]cc(CC(=O)Nc3cccc(N(C)C(C)=O)c3)c2c1 CC(=O)N(C)[*:1] COc1ccc2[nH]cc(CC(=O)Nc3cccc(c3)[*:1])c2c1
CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] CSc1ccc(cc1)[C@H](C)[NH2+]C[C@@H]1CCCN(C1)[*:1]
CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)cc1 CSc1ccc(cc1)[*:1] C[C@H]([NH2+]C[C@@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)CS(=O)(=O)c3ccccc3)nc2c1 O=S(=O)(C[*:1])c1ccccc1 Cc1cc(C)c2sc(nc2c1)N(Cc1ccccn1)C(=O)[*:1]
Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)CS(=O)(=O)c3ccccc3)nc2c1 c1ccc(C[*:1])nc1 Cc1cc(C)c2sc(nc2c1)N(C(=O)CS(=O)(=O)c1ccccc1)[*:1]
Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)CS(=O)(=O)c3ccccc3)nc2c1 c1ccc(nc1)[*:1] Cc1cc(C)c2sc(nc2c1)N(C[*:1])C(=O)CS(=O)(=O)c1ccccc1
Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)CS(=O)(=O)c3ccccc3)nc2c1 O=S(=O)(c1ccccc1)[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1ccccn1)C(=O)C[*:1]
Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)CS(=O)(=O)c3ccccc3)nc2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1ccccn1)C(=O)CS(=O)(=O)[*:1]
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(N)=O)c1C CCC[*:1] Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(N)=O)c(C)n1[*:1]
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(N)=O)c1C NC(=O)[*:1] CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2[*:1])c1C
COc1ccc(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)cc1O CC(C)[*:1] COc1ccc(cc1O)C[NH2+]C[C@@H](N1CCN(C)CC1)[*:1]
COc1ccc(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)cc1O CN1CCN(CC1)[*:1] COc1ccc(cc1O)C[NH2+]C[C@@H](C(C)C)[*:1]
Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCOC(=O)C1CCN([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CC1 CCOC(=O)[*:1] O/N=C1\[C@H]2CC[C@H](C2)[C@H]1N1CCC(CC1)[*:1]
[O-]/C(Cc1ccc(F)c(F)c1)=N\c1nc(-c2ccco2)n[nH]1 c1coc(c1)[*:1] [O-]/C(Cc1ccc(F)c(F)c1)=N\c1nc(n[nH]1)[*:1]
CC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(NCc2ccc(nc2)N2CC[NH+](C)CC2)c(c1)[*:1]
CC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c([N+](=O)[O-])c1 CC(=O)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNc1ccc(cc1[N+](=O)[O-])[*:1]
OCc1ccc(CNc2cnn(CC(F)(F)F)c2)o1 FC(F)(F)[*:1] OCc1ccc(CNc2cnn(c2)C[*:1])o1
OCc1ccc(CNc2cnn(CC(F)(F)F)c2)o1 FC(F)(F)C[*:1] OCc1ccc(CNc2cnn(c2)[*:1])o1
CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1=O CCc1ccccc1[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC[C@H]1c1nc2ccccc2s1
CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1=O c1ccc2sc(nc2c1)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)N1CCC[C@@H]1[*:1]
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3[C@@H](O)C[C@]12C CC(=O)[*:1] C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@@H]1CC[C@H]2[*:1]
Cn1cc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)cn1 Cn1cc(cn1)[*:1] O=S(=O)([N-]c1c(F)cc(Cl)cc1F)[*:1]
COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1OC C(CN1CCOCC1)C[*:1] COc1ccc(cc1OC)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1OC C1CN(CCO1)C[*:1] COc1ccc(cc1OC)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1CC[*:1]
COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1OC C1CN(CCO1)[*:1] COc1ccc(cc1OC)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCC[*:1]
COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1OC COc1ccc(cc1OC)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1CCCN1CCOCC1)[*:1]
COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1OC C1CN(CCO1)CC[*:1] COc1ccc(cc1OC)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1C[*:1]
COc1cc(CN2C[C@@H](C)OC[C@H]2C)ccc1OCc1ccncc1 c1cc(ccn1)[*:1] COc1cc(ccc1OC[*:1])CN1C[C@@H](C)OC[C@H]1C
COc1cc(CN2C[C@@H](C)OC[C@H]2C)ccc1OCc1ccncc1 c1cc(ccn1)CO[*:1] COc1cc(ccc1[*:1])CN1C[C@@H](C)OC[C@H]1C
COc1cc(CN2C[C@@H](C)OC[C@H]2C)ccc1OCc1ccncc1 c1cc(ccn1)C[*:1] COc1cc(ccc1O[*:1])CN1C[C@@H](C)OC[C@H]1C
Cc1cccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccco2)c1 c1coc(c1)[*:1] Cc1cccc(c1)[C@H]1NC(=S)N[C@](O)([C@@H]1C(=O)[*:1])C(F)(F)F
Cc1cccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccco2)c1 Cc1cccc(c1)[*:1] O=C(c1ccco1)[C@@H]1[C@H](NC(=S)N[C@@]1(O)C(F)(F)F)[*:1]
Cc1cccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccco2)c1 FC(F)(F)[*:1] Cc1cccc(c1)[C@H]1NC(=S)N[C@@](O)([C@@H]1C(=O)c1ccco1)[*:1]
Cc1cccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccco2)c1 O=C(c1ccco1)[*:1] Cc1cccc(c1)[C@H]1NC(=S)N[C@](O)([C@H]1[*:1])C(F)(F)F
Cc1[nH]c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nc1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH]c(nc1[*:1])S[C@H](C(=O)N1CCOCC1)c1ccccc1
Cc1[nH]c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(nc1Cc1ccccc1)S[C@H](C(=O)N1CCOCC1)[*:1]
Cc1[nH]c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nc1Cc1ccccc1 O=C(N1CCOCC1)[*:1] Cc1[nH]c(nc1Cc1ccccc1)S[C@H](c1ccccc1)[*:1]
Cc1[nH]c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(nc1C[*:1])S[C@H](C(=O)N1CCOCC1)c1ccccc1
Cc1[nH+]c(C2CCN(C(=O)CCn3cc[nH+]c3C)CC2)nc(N2CCOCC2)c1C C1CN(CCO1)[*:1] Cc1[nH+]c(nc(c1C)[*:1])C1CCN(CC1)C(=O)CCn1cc[nH+]c1C
O=C(CSCc1ncn(-c2ccccc2)n1)NCc1cccs1 c1csc(c1)C[*:1] O=C(CSCc1ncn(n1)-c1ccccc1)N[*:1]
O=C(CSCc1ncn(-c2ccccc2)n1)NCc1cccs1 c1csc(c1)[*:1] O=C(CSCc1ncn(n1)-c1ccccc1)NC[*:1]
O=C(CSCc1ncn(-c2ccccc2)n1)NCc1cccs1 c1ccc(cc1)[*:1] O=C(CSCc1ncn(n1)[*:1])NCc1cccs1
O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)-c1nc(no1)[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)-c1noc(n1)[*:1] O=C(COc1ccc(cc1)[*:1])N1CCN(CC1)c1cccc[nH+]1
C[C@@H](CO)NC(=O)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@@H](CO)NC(=O)Nc1ccc(cc1)O[*:1]
C[C@@H](CO)NC(=O)Nc1ccc(OC(F)F)cc1 C[C@@H](CO)[*:1] O=C(Nc1ccc(cc1)OC(F)F)N[*:1]
C[C@@H](CO)NC(=O)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@@H](CO)NC(=O)Nc1ccc(cc1)[*:1]
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cc(C)no1)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(Cc3cc(C)no3)[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cc(C)no1)CC2 Cc1cc(C[*:1])on1 COc1cc2CCN([C@@H](c3ccccc3)c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cc(C)no1)CC2 Cc1cc(on1)[*:1] COc1cc2CCN(C[*:1])[C@@H](c3ccccc3)c2cc1OC
Cc1cc(C[S@](=O)Cc2csc(C3CCCCC3)n2)no1 C1CCC(CC1)[*:1] Cc1cc(C[S@](=O)Cc2csc(n2)[*:1])no1
Cc1cc(C[S@](=O)Cc2csc(C3CCCCC3)n2)no1 Cc1cc(no1)[*:1] O=[S@](Cc1csc(n1)C1CCCCC1)C[*:1]
Cc1cc(C[S@](=O)Cc2csc(C3CCCCC3)n2)no1 Cc1cc(C[*:1])no1 O=[S@](Cc1csc(n1)C1CCCCC1)[*:1]
CC(=O)N[C@@H](CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1 CC(=O)N[*:1] C[C@H]1CCCC[C@H]1NC(=O)C[C@@H](c1ccccc1)[*:1]
CC(=O)N[C@@H](CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N[C@@H]1CCCC[C@@H]1C)[*:1]
CC(=O)N[C@@H](CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1 C[C@H]1CCCC[C@H]1[*:1] CC(=O)N[C@@H](CC(=O)N[*:1])c1ccccc1
CCN1C(=O)S/C(=C\c2ccco2)C1=O c1coc(c1)[*:1] CCN1C(=O)SC(=C[*:1])C1=O
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](C)C(=O)N12)C(=O)Nc1ccccc1OC COc1ccccc1[*:1] CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](C)C(=O)N12)C(=O)N[*:1]
CN(c1cccnn1)C1CCN(C(=O)c2[nH]nc3ccccc23)CC1 CN(c1cccnn1)[*:1] O=C(c1[nH]nc2ccccc12)N1CCC(CC1)[*:1]
CN(c1cccnn1)C1CCN(C(=O)c2[nH]nc3ccccc23)CC1 c1cnnc(c1)[*:1] CN(C1CCN(CC1)C(=O)c1[nH]nc2ccccc12)[*:1]
CC(C)N1CCO[C@@H](C(=O)c2occc2Br)C1 CC(C)[*:1] O=C(c1occc1Br)[C@H]1CN(CCO1)[*:1]
NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cscn1 c1nc(cs1)[*:1] NC(=O)[C@@H](Cc1ccccc1)NC(=O)[*:1]
NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cscn1 NC(=O)[*:1] O=C(N[C@H](Cc1ccccc1)[*:1])c1cscn1
NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cscn1 c1ccc(cc1)[*:1] NC(=O)[C@@H](C[*:1])NC(=O)c1cscn1
CCC(=O)c1ccc(OC(=O)Cc2coc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CCC(=O)c1ccc(cc1)OC(=O)Cc1coc(n1)[*:1]
CCC(=O)c1ccc(OC(=O)Cc2coc(-c3ccccc3)n2)cc1 CCC(=O)[*:1] O=C(Cc1coc(n1)-c1ccccc1)Oc1ccc(cc1)[*:1]
CCNC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 CCNC(=O)C[*:1] O=C(O[*:1])c1cc(nc2ccccc12)-c1ccc(Cl)cc1
CCNC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 CCNC(=O)[*:1] O=C(OC[*:1])c1cc(nc2ccccc12)-c1ccc(Cl)cc1
CCNC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 Clc1ccc(cc1)[*:1] CCNC(=O)COC(=O)c1cc(nc2ccccc12)[*:1]
O=S(=O)(NC1CC1)[C@H]1CCN(Cc2cnc(-c3ccccn3)s2)C1 O=S(=O)(NC1CC1)[*:1] c1ccc(nc1)-c1ncc(CN2CC[C@@H](C2)[*:1])s1
O=S(=O)(NC1CC1)[C@H]1CCN(Cc2cnc(-c3ccccn3)s2)C1 C1CC1[*:1] O=S(=O)(N[*:1])[C@H]1CCN(Cc2cnc(s2)-c2ccccn2)C1
O=S(=O)(NC1CC1)[C@H]1CCN(Cc2cnc(-c3ccccn3)s2)C1 c1ccc(nc1)[*:1] O=S(=O)(NC1CC1)[C@H]1CCN(Cc2cnc(s2)[*:1])C1
Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)/C=C\c3ccco3)cc2)[nH]n1 C(=C[*:1])c1ccco1 Cc1cc([nH]n1)C(=O)N/N=C/c1ccc(cc1)OC(=O)[*:1]
Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)/C=C\c3ccco3)cc2)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(/C=C\c1ccco1)Oc1ccc(/C=N/NC(=O)[*:1])cc1
Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)/C=C\c3ccco3)cc2)[nH]n1 c1coc(c1)[*:1] Cc1cc([nH]n1)C(=O)N/N=C/c1ccc(cc1)OC(=O)C=C[*:1]
C[C@H](OC(=O)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=C(O[*:1])c1ccccc1 C[C@H](C(=O)Nc1nc(cs1)-c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@H](OC(=O)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=[N+]([O-])[*:1] C[C@H](OC(=O)c1ccccc1)C(=O)Nc1nc(cs1)-c1cccc(c1)[*:1]
C[C@H](OC(=O)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 c1ccc(cc1)[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1nc(cs1)-c1cccc(c1)[N+](=O)[O-]
C[C@H](OC(=O)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H](OC(=O)c1ccccc1)C(=O)Nc1nc(cs1)[*:1]
C[C@H](NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nnc(-c2ccc3OCOc3c2)n1-c1ccccc1)[*:1]
C[C@H](NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nnc(-c2ccc3OCOc3c2)n1[*:1])c1ccccc1
C[C@H](NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccccc1 c1cc2OCOc2cc1[*:1] C[C@H](NC(=O)CSc1nnc(n1-c1ccccc1)[*:1])c1ccccc1
C=CCN(CC=C)C(=O)c1cnn(C)c1 C=CC[*:1] C=CCN(C(=O)c1cnn(C)c1)[*:1]
O=C([O-])[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 O=C([O-])[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccccc1)N1CCC[C@@H](C1)[*:1]
O=C([O-])[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1[nH]c2ccccc2c1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
N#Cc1ccc(N(C(=O)c2ccc(OCC(F)F)nc2)C2CC2)cc1 FC(F)CO[*:1] N#Cc1ccc(cc1)N(C(=O)c1ccc(nc1)[*:1])C1CC1
N#Cc1ccc(N(C(=O)c2ccc(OCC(F)F)nc2)C2CC2)cc1 FC(F)[*:1] N#Cc1ccc(cc1)N(C(=O)c1ccc(nc1)OC[*:1])C1CC1
N#Cc1ccc(N(C(=O)c2ccc(OCC(F)F)nc2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)c1ccc(nc1)OCC(F)F)[*:1]
N#Cc1ccc(N(C(=O)c2ccc(OCC(F)F)nc2)C2CC2)cc1 FC(F)C[*:1] N#Cc1ccc(cc1)N(C(=O)c1ccc(nc1)O[*:1])C1CC1
N#Cc1ccc(N(C(=O)c2ccc(OCC(F)F)nc2)C2CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(c1ccc(nc1)OCC(F)F)N(C1CC1)[*:1]
CNC(=O)[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 CNC(=O)[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCC[C@@H](C1)[*:1]
CNC(=O)[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 O=[N+]([O-])[*:1] CNC(=O)[C@H]1CCCN(C1)c1cc(C)c(cn1)[*:1]
O=C(Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(OCc1cc(=O)n2nc(sc2n1)C1CCCCC1)c1ccc(cc1)[*:1]
O=C(Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1)c1ccccc1 C1CCC(CC1)[*:1] O=C(Nc1ccc(cc1)C(=O)OCc1cc(=O)n2nc(sc2n1)[*:1])c1ccccc1
O=C(Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(OCc1cc(=O)n2nc(sc2n1)C1CCCCC1)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)C(C)(C)CNC(=O)c1ccc(cc1C)[*:1]
COC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1 COC(=O)[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
COC(=O)[C@@]1(NCc2cccs2)CSCC(C)(C)C1 COC(=O)[*:1] CC1(C)CSC[C@@](C1)(NCc1cccs1)[*:1]
COC(=O)[C@@]1(NCc2cccs2)CSCC(C)(C)C1 c1csc(c1)[*:1] COC(=O)[C@]1(CSCC(C)(C)C1)NC[*:1]
COC(=O)[C@@]1(NCc2cccs2)CSCC(C)(C)C1 c1csc(c1)C[*:1] COC(=O)[C@]1(CSCC(C)(C)C1)N[*:1]
CC1=C(C#N)[C@](NC(=O)c2cncc(Br)c2)(C(F)(F)F)C([O-])=N1 FC(F)(F)[*:1] CC1N=C([O-])[C@@](NC(=O)c2cncc(Br)c2)(C=1C#N)[*:1]
CC1=C(C#N)[C@](NC(=O)c2cncc(Br)c2)(C(F)(F)F)C([O-])=N1 Brc1cncc(c1)[*:1] CC1N=C([O-])[C@](NC(=O)[*:1])(C=1C#N)C(F)(F)F
Cc1nn(CC(=O)N(C)Cc2ccccc2)c(C)c1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1nn(CC(=O)N(C)Cc2ccccc2)c(C)c1[*:1]
Cc1nn(CC(=O)N(C)Cc2ccccc2)c(C)c1S(=O)(=O)N(C)C c1ccc(cc1)C[*:1] Cc1nn(CC(=O)N(C)[*:1])c(C)c1S(=O)(=O)N(C)C
Cc1nn(CC(=O)N(C)Cc2ccccc2)c(C)c1S(=O)(=O)N(C)C c1ccc(cc1)[*:1] Cc1nn(CC(=O)N(C)C[*:1])c(C)c1S(=O)(=O)N(C)C
CCCOc1ccc(OCCC2CC[NH2+]CC2)cc1 CCCO[*:1] c1cc(ccc1OCCC1CC[NH2+]CC1)[*:1]
CCCOc1ccc(OCCC2CC[NH2+]CC2)cc1 CCC[*:1] c1cc(ccc1OCCC1CC[NH2+]CC1)O[*:1]
CCc1nn(CC)c(CN2CCO[C@@H](C(N)=S)C2)c1Br NC(=S)[*:1] CCc1nn(CC)c(CN2CCO[C@@H](C2)[*:1])c1Br
C[C@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] C[C@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1C[*:1]
C[C@H](CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[S@](C)=O Clc1ccccc1[*:1] C[C@H](CC[NH2+]C1CCN(CC1)C(=O)[*:1])[S@](C)=O
Cc1sc([C@@H](C)[NH2+][C@@H](C)c2nccs2)nc1-c1ccc(Cl)cc1 c1csc(n1)[*:1] Cc1sc(nc1-c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@@H](C)[*:1]
Cc1sc([C@@H](C)[NH2+][C@@H](C)c2nccs2)nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])[C@@H](C)[NH2+][C@@H](C)c1nccs1
Cc1occc1-c1nnc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)n1N Cc1occc1[*:1] C[C@H]1CCN(C(=O)CSc2nnc(n2N)[*:1])c2ccccc2S1
Cc1cc(C)c2cc(C[NH+](Cc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2cc(C[NH+](Cc3nnnn3C3CCCCC3)C[*:1])c(=O)[nH]c2c1
Cc1cc(C)c2cc(C[NH+](Cc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 c1ccc(cc1)C[*:1] Cc1cc(C)c2cc(C[NH+](Cc3nnnn3C3CCCCC3)[*:1])c(=O)[nH]c2c1
Cc1cc(C)c2cc(C[NH+](Cc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 C1CCC(CC1)n1nnnc1[*:1] Cc1cc(C)c2cc(C[NH+](Cc3ccccc3)C[*:1])c(=O)[nH]c2c1
Cc1cc(C)c2cc(C[NH+](Cc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 C1CCC(CC1)[*:1] Cc1cc(C)c2cc(C[NH+](Cc3ccccc3)Cc3nnnn3[*:1])c(=O)[nH]c2c1
NC(=O)[C@@H]1CN(Cn2nc(Cl)c3ccccc32)CCO1 NC(=O)[*:1] Clc1nn(CN2CCO[C@@H](C2)[*:1])c2ccccc12
CCC(=O)Oc1cccc2ccc(/C=C/c3ccccc3[N+](=O)[O-])nc12 CCC(=O)O[*:1] O=[N+]([O-])c1ccccc1/C=C/c1ccc2cccc(c2n1)[*:1]
CCC(=O)Oc1cccc2ccc(/C=C/c3ccccc3[N+](=O)[O-])nc12 O=[N+]([O-])[*:1] CCC(=O)Oc1cccc2ccc(/C=C/c3ccccc3[*:1])nc12
O=C(Nc1ccc2c(c1)OCCO2)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Nc1ccc2OCCOc2c1)N[*:1]
C[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cccc(N(C)C)c1 CN(C)[*:1] C[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cccc(c1)[*:1]
COc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1F COc1ccc(cc1F)[*:1] O=S(=O)(c1cccnc1)N1CCC(CC1)CNS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1F c1cncc(c1)[*:1] COc1ccc(cc1F)S(=O)(=O)NCC1CCN(CC1)S(=O)(=O)[*:1]
CCC[C@@H](C[NH3+])[C@]1(O)CCC[C@H](C(C)C)CC1 CCC[*:1] CC(C)[C@H]1CCC[C@](O)(CC1)[C@H](C[NH3+])[*:1]
CCC[C@@H](C[NH3+])[C@]1(O)CCC[C@H](C(C)C)CC1 CC(C)[*:1] CCC[C@@H](C[NH3+])[C@]1(O)CCC[C@H](CC1)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 O=C(N[*:1])c1ccc(F)cc1 CN(Cc1cnn(c1)-c1ccccc1)C(=O)c1cccc(c1)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)c1cccc(c1)NC(=O)c1ccc(F)cc1
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)c1cccc(c1)NC(=O)[*:1]
CC(C)N(C(=S)S)C(C)C CC(C)[*:1] CC(C)N(C(=S)S)[*:1]
NC1=NC(=O)N(C2CC2)[C@H]1c1cccc(Cl)c1Cl C1CC1[*:1] NC1=NC(=O)N([C@H]1c1cccc(Cl)c1Cl)[*:1]
Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccccc3Br)c(C)c21 O=C(Nc1ccccc1Br)[*:1] Cc1occc1C(=O)N/N=C1\CCCc2oc(c(C)c21)[*:1]
Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccccc3Br)c(C)c21 Cc1occc1[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)Nc1ccccc1Br
Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccccc3Br)c(C)c21 Brc1ccccc1[*:1] Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)N[*:1])c(C)c21
CCN(CC(C)(C)O)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)C[C@@H](C)Cc1ccc(Cl)cc1
CCN(CC(C)(C)O)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 CC(C)(O)C[*:1] CCN(C(=O)C[C@@H](C)Cc1ccc(Cl)cc1)[*:1]
CCN(CC(C)(C)O)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCN(CC(C)(C)O)C(=O)C[C@@H](C)C[*:1]
O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCC(=O)Nc1cccnc1 c1cncc(c1)[*:1] O=C(/C=C/c1ccc(cc1)N1CCCC1=O)NCC(=O)N[*:1]
O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCC(=O)Nc1cccnc1 O=C1CCCN1[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NCC(=O)Nc1cccnc1
O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCC(=O)Nc1cccnc1 O=C(Nc1cccnc1)[*:1] O=C(/C=C/c1ccc(cc1)N1CCCC1=O)NC[*:1]
CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CCn1cnnc1[C@@H]1CCCN(C1)C(=O)N[*:1]
CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc(OC)cc2)C1 CCn1cnnc1[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@H](C1)[*:1]
COC1CC[NH+](CCNC(=O)c2ccc(NC(=O)C3CC3)s2)CC1 O=C(N[*:1])C1CC1 COC1CC[NH+](CCNC(=O)c2ccc(s2)[*:1])CC1
COC1CC[NH+](CCNC(=O)c2ccc(NC(=O)C3CC3)s2)CC1 C1CC1[*:1] COC1CC[NH+](CCNC(=O)c2ccc(NC(=O)[*:1])s2)CC1
CCc1onc(C)c1NC(=O)NCC(C)(C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)NCC(C)(C)[*:1]
Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2)ncc1C(=O)N1CCOCC1 c1cncc(c1)[*:1] Cc1nc(ncc1C(=O)N1CCOCC1)[C@H]1CCCCN1C(=O)[*:1]
Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2)ncc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1nc(ncc1[*:1])[C@H]1CCCCN1C(=O)c1cccnc1
Cc1ccc(C(=O)NCCNC(=O)c2cc(F)cc3[nH]cnc23)cc1F Cc1ccc(cc1F)[*:1] O=C(NCCNC(=O)[*:1])c1cc(F)cc2[nH]cnc12
Cc1noc(C)c1CCC(=O)Nc1ccnn1C1CCCCC1 Cc1noc(C)c1[*:1] O=C(CC[*:1])Nc1ccnn1C1CCCCC1
Cc1noc(C)c1CCC(=O)Nc1ccnn1C1CCCCC1 C1CCC(CC1)[*:1] Cc1noc(C)c1CCC(=O)Nc1ccnn1[*:1]
CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccoc1)C(C#N)=C(N)O2 CCOC(=O)C[*:1] N#CC1=C(N)Oc2n[nH]c(c2[C@@H]1c1ccoc1)[*:1]
CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccoc1)C(C#N)=C(N)O2 c1cc(co1)[*:1] CCOC(=O)Cc1[nH]nc2OC(N)=C(C#N)[C@@H](c21)[*:1]
CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccoc1)C(C#N)=C(N)O2 CCOC(=O)[*:1] N#CC1=C(N)Oc2n[nH]c(C[*:1])c2[C@@H]1c1ccoc1
CCC[NH2+]CC/C=C/Cc1csc(C)n1 CCC[*:1] Cc1nc(cs1)C/C=C/CC[NH2+][*:1]
CC(C)c1nc(C[NH+](C)Cc2nnc3ccccn23)cs1 CC(C)[*:1] C[NH+](Cc1csc(n1)[*:1])Cc1nnc2ccccn12
CO[C@@H](C)c1cccc(NC(=O)c2ccc(C(=O)N(C)C)cc2)c1 CO[C@@H](C)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
CO[C@@H](C)c1cccc(NC(=O)c2ccc(C(=O)N(C)C)cc2)c1 CN(C)C(=O)[*:1] CO[C@@H](C)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
Cc1cc(NC(=O)NC2[C@H](C)CCC[C@H]2C)n(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc(NC(=O)NC2[C@H](C)CCC[C@H]2C)n(n1)[*:1]
Cc1cc(NC(=O)NC2[C@H](C)CCC[C@H]2C)n(Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(NC(=O)NC2[C@H](C)CCC[C@H]2C)n(C[*:1])n1
COc1ccc(Cl)c(NNC(=O)NCc2cc(C(C)C)no2)c1 CC(C)[*:1] COc1ccc(Cl)c(c1)NNC(=O)NCc1cc(no1)[*:1]
CCC(CC)NC(=O)[C@H](C)Nc1ccc(C)cc1OC CCC(CC)[*:1] COc1cc(C)ccc1N[C@@H](C)C(=O)N[*:1]
COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1-n1cnnn1 c1nnnn1[*:1] COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1[*:1]
COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1-n1cnnn1 COC(=O)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1ccc(F)cc1-n1cnnn1
CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3ccc(C)cc3)c2C(C)C)C1 CCOC(=O)[*:1] Cc1ccc(cc1)-n1nc(c(C(=O)N2CCC[C@H](C2)[*:1])c1C(C)C)C(C)C
CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3ccc(C)cc3)c2C(C)C)C1 CC(C)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1c(nn(-c2ccc(C)cc2)c1[*:1])C(C)C
CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3ccc(C)cc3)c2C(C)C)C1 CC(C)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1c(nn(-c2ccc(C)cc2)c1C(C)C)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3ccc(C)cc3)c2C(C)C)C1 Cc1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1c(nn(c1C(C)C)[*:1])C(C)C
CC(=O)c1cc(Cl)ccc1OCc1c[nH+]cn1C CC(=O)[*:1] Cn1c[nH+]cc1COc1ccc(Cl)cc1[*:1]
CCS(=O)(=O)c1ccc2oc(=O)c(CC(=O)c3ccc(C)cc3)nc2c1 Cc1ccc(cc1)[*:1] CCS(=O)(=O)c1ccc2oc(=O)c(CC(=O)[*:1])nc2c1
CCS(=O)(=O)c1ccc2oc(=O)c(CC(=O)c3ccc(C)cc3)nc2c1 CCS(=O)(=O)[*:1] Cc1ccc(cc1)C(=O)Cc1nc2cc(ccc2oc1=O)[*:1]
Cc1cccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1C FC(F)(F)[*:1] Cc1cccc(NS(=O)(=O)c2ccc(F)c(c2)[*:1])c1C
Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3nc4c(s3)CCCC4)n2)cc1 C1CCc2sc(nc2C1)[*:1] Cc1ccc(cc1)-c1ccc(=O)n(n1)[C@@H](C)C(=O)N[*:1]
Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3nc4c(s3)CCCC4)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1nc2CCCCc2s1)n1nc(ccc1=O)[*:1]
CC[C@@H](C)NC(=O)C(=O)NCCOC COCC[*:1] CC[C@@H](C)NC(=O)C(=O)N[*:1]
CC[C@@H](C)NC(=O)C(=O)NCCOC CC[C@@H](C)[*:1] COCCNC(=O)C(=O)N[*:1]
CC[C@@H](C)NC(=O)C(=O)NCCOC COC[*:1] CC[C@@H](C)NC(=O)C(=O)NC[*:1]
O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1cccc(NS(=O)(=O)c2ccccc2)c1 O=S(=O)(N[*:1])c1ccccc1 O=C(Nc1nc2-c3ccccc3Cc2s1)c1cccc(c1)[*:1]
O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1cccc(NS(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1nc2-c3ccccc3Cc2s1)c1cccc(c1)NS(=O)(=O)[*:1]
COC(=O)CN(CC#N)Cc1sccc1Br N#CC[*:1] COC(=O)CN(Cc1sccc1Br)[*:1]
COC(=O)CN(CC#N)Cc1sccc1Br COC(=O)C[*:1] N#CCN(Cc1sccc1Br)[*:1]
COC(=O)CN(CC#N)Cc1sccc1Br COC(=O)[*:1] N#CCN(Cc1sccc1Br)C[*:1]
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)OC(C)C)=C2C#N)cc1 CC(C)OC(=O)[*:1] Cc1ccc(cc1)[C@H]1CC(=O)NC(SC[*:1])=C1C#N
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)OC(C)C)=C2C#N)cc1 CC(C)OC(=O)C[*:1] Cc1ccc(cc1)[C@H]1CC(=O)NC(S[*:1])=C1C#N
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)OC(C)C)=C2C#N)cc1 Cc1ccc(cc1)[*:1] CC(C)OC(=O)CSC1NC(=O)C[C@@H](C=1C#N)[*:1]
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)OC(C)C)=C2C#N)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@H]1CC(=O)NC(SCC(=O)O[*:1])=C1C#N
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)OC(C)C)=C2C#N)cc1 CC(C)OC(=O)CS[*:1] Cc1ccc(cc1)[C@H]1CC(=O)NC(=C1C#N)[*:1]
C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[n+]1ccc(N(C)C)cc1 CN(C)[*:1] C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[n+]1ccc(cc1)[*:1]
CCCCn1c(N)c(N(Cc2ccco2)C(C)=O)c(=O)[nH]c1=O CCC[*:1] CC(=O)N(Cc1ccco1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCCCn1c(N)c(N(Cc2ccco2)C(C)=O)c(=O)[nH]c1=O c1coc(c1)C[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C(C)=O)[*:1]
CCCCn1c(N)c(N(Cc2ccco2)C(C)=O)c(=O)[nH]c1=O c1coc(c1)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C[*:1])C(C)=O
CCCCn1c(N)c(N(Cc2ccco2)C(C)=O)c(=O)[nH]c1=O CCCC[*:1] CC(=O)N(Cc1ccco1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CC(C)(C)c1noc(CN2CCO[C@@H](CC(=O)[O-])C2)n1 O=C([O-])C[*:1] CC(C)(C)c1noc(CN2CCO[C@@H](C2)[*:1])n1
CC(C)(C)c1noc(CN2CCO[C@@H](CC(=O)[O-])C2)n1 O=C([O-])[*:1] CC(C)(C)c1noc(CN2CCO[C@H](C2)C[*:1])n1
CC(C)(C)c1noc(CN2CCO[C@@H](CC(=O)[O-])C2)n1 CC(C)(C)[*:1] O=C([O-])C[C@H]1CN(CCO1)Cc1nc(no1)[*:1]
CCCn1nccc1C1CC1 C1CC1[*:1] CCCn1nccc1[*:1]
CCCn1nccc1C1CC1 CCC[*:1] c1cc(C2CC2)n(n1)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2cc(Cl)ccc2n1C CC(C)[*:1] Cn1c(nc2cc(Cl)ccc21)SCC(=O)N[C@@](C)(C#N)[*:1]
C[C@@H](CCl)CS(=O)(=O)[N-]c1cccc(-c2nccs2)c1 c1csc(n1)[*:1] C[C@@H](CCl)CS(=O)(=O)[N-]c1cccc(c1)[*:1]
O=C(NCc1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(NCc1ccccc1F)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCc1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(N[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1F
O=C(NCc1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(NC[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1F
Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H]2CCCN2C(=O)c2ccccc2Cl)n1C Cc1cccc(C)c1NC(=O)[*:1] Cn1c(nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl)SC[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H]2CCCN2C(=O)c2ccccc2Cl)n1C Cc1cccc(C)c1[*:1] Cn1c(nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl)SCC(=O)N[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H]2CCCN2C(=O)c2ccccc2Cl)n1C Clc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H]2CCCN2C(=O)[*:1])n1C
C[C@@H](OC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](OC(=O)[C@H]1CCCc2[nH]ncc21)[*:1]
COc1ccc2c(c1)c(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)c(C)n2C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc2c(c1)c(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)c(C)n2C(=O)[*:1]
O=C(Cn1c(-c2cscn2)nc2ccccc21)NC[C@@H]1CCCO1 c1nc(cs1)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])NC[C@@H]1CCCO1
O=C(Cn1c(-c2cscn2)nc2ccccc21)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(Cn1c(nc2ccccc21)-c1cscn1)N[*:1]
O=C(Cn1c(-c2cscn2)nc2ccccc21)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(Cn1c(nc2ccccc21)-c1cscn1)NC[*:1]
Cc1cccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c1-n1cccc1 c1ccn(c1)[*:1] Cc1cccc(C(=O)N2CCN(CC2)c2cnn(-c3ccccc3)c(=O)c2Cl)c1[*:1]
Cc1cccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c1-n1cccc1 c1ccc(cc1)[*:1] Cc1cccc(C(=O)N2CCN(CC2)c2cnn(c(=O)c2Cl)[*:1])c1-n1cccc1
Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1ccc(cc1)[*:1]
Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 Cc1c(Cl)cccc1[*:1] O=S(=O)(NC[C@H](O)c1ccc(cc1)C(F)(F)F)[*:1]
CNC(=O)c1ccc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH+]n1 c1cc(cc[nH+]1)[*:1] CNC(=O)c1ccc([nH+]n1)N(C)CCC1CCN(CC1)[*:1]
CNC(=O)c1ccc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH+]n1 CNC(=O)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)c1ccc(n[nH+]1)[*:1]
Cc1n[nH]c(C)c1[C@H](C)NC(N)=O NC(=O)N[*:1] Cc1n[nH]c(C)c1[C@H](C)[*:1]
CCc1ccc(O)c(NC(=O)c2ccc(-n3cncn3)c(C)c2)c1 c1ncn(n1)[*:1] CCc1ccc(O)c(c1)NC(=O)c1ccc(c(C)c1)[*:1]
O=C(c1c(F)cc(Br)cc1F)N(CC1CC1)CC1CC1 C1CC1C[*:1] O=C(c1c(F)cc(Br)cc1F)N(CC1CC1)[*:1]
O=C(c1c(F)cc(Br)cc1F)N(CC1CC1)CC1CC1 C1CC1[*:1] O=C(c1c(F)cc(Br)cc1F)N(CC1CC1)C[*:1]
O=C(/C=C/C1CC1)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 C(=C[*:1])C1CC1 O=C(NCCC[NH+]1CCN(CC1)c1ccccc1Cl)[*:1]
O=C(/C=C/C1CC1)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 C1CC1[*:1] O=C(C=C[*:1])NCCC[NH+]1CCN(CC1)c1ccccc1Cl
O=C(/C=C/C1CC1)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 O=C(/C=C/C1CC1)N[*:1] Clc1ccccc1N1CC[NH+](CCC[*:1])CC1
O=C(/C=C/C1CC1)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(/C=C/C1CC1)NCCC[NH+]1CCN(CC1)[*:1]
CCCCNC(=O)c1ccc(CN2CCCC2=O)cc1 CCC[*:1] O=C(NC[*:1])c1ccc(cc1)CN1CCCC1=O
CCCCNC(=O)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] CCCCNC(=O)c1ccc(cc1)C[*:1]
CCCCNC(=O)c1ccc(CN2CCCC2=O)cc1 CCCC[*:1] O=C(N[*:1])c1ccc(cc1)CN1CCCC1=O
COc1cccc(N2C[C@@H](C(=O)NCc3cc(-c4ccccc4F)on3)CC2=O)c1 Fc1ccccc1[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)NCc1cc(on1)[*:1]
COc1cccc(N2C[C@@H](C(=O)NCc3cc(-c4ccccc4F)on3)CC2=O)c1 COc1cccc(c1)[*:1] O=C(NCc1cc(on1)-c1ccccc1F)[C@H]1CC(=O)N(C1)[*:1]
CCC[NH2+][C@@H]1CC[C@@H](N2CCC[C@H](C(F)(F)F)C2)C1 FC(F)(F)[*:1] CCC[NH2+][C@@H]1CC[C@H](C1)N1CCC[C@H](C1)[*:1]
CCC[NH2+][C@@H]1CC[C@@H](N2CCC[C@H](C(F)(F)F)C2)C1 CCC[*:1] FC(F)(F)[C@H]1CCCN(C1)[C@@H]1CC[C@H](C1)[NH2+][*:1]
CC(C)OC(=O)CS[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CC(C)OC(=O)CS[C@@H](C)c1nc(no1)[*:1]
CC(C)OC(=O)CS[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 CC(C)OC(=O)[*:1] C[C@H](SC[*:1])c1nc(no1)-c1ccc(Cl)cc1
CC(C)OC(=O)CS[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 CC(C)[*:1] C[C@H](SCC(=O)O[*:1])c1nc(no1)-c1ccc(Cl)cc1
CC(C)OC(=O)CS[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 CC(C)OC(=O)C[*:1] C[C@H](S[*:1])c1nc(no1)-c1ccc(Cl)cc1
COc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1Oc1ccc(Cl)cc1[*:1])C(=O)N1CCN(CC1)c1cccc[nH+]1
COc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])c1cc(Cl)ccc1[*:1] COc1cc(ccc1O[*:1])C(=O)N1CCN(CC1)c1cccc[nH+]1
COc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])c1cc(Cl)ccc1O[*:1] COc1cc(ccc1[*:1])C(=O)N1CCN(CC1)c1cccc[nH+]1
O=C(Cn1nc2n(Cc3ccccc3)c(=O)c3ccccc3n2c1=O)NCc1ccccc1Cl O=C(NCc1ccccc1Cl)[*:1] O=c1c2ccccc2n2c(=O)n(C[*:1])nc2n1Cc1ccccc1
O=C(Cn1nc2n(Cc3ccccc3)c(=O)c3ccccc3n2c1=O)NCc1ccccc1Cl c1ccc(cc1)[*:1] O=C(Cn1nc2n(C[*:1])c(=O)c3ccccc3n2c1=O)NCc1ccccc1Cl
O=C(Cn1nc2n(Cc3ccccc3)c(=O)c3ccccc3n2c1=O)NCc1ccccc1Cl c1ccc(cc1)C[*:1] O=C(Cn1nc2n(c(=O)c3ccccc3n2c1=O)[*:1])NCc1ccccc1Cl
O=C(Cn1nc2n(Cc3ccccc3)c(=O)c3ccccc3n2c1=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(Cn1nc2n(Cc3ccccc3)c(=O)c3ccccc3n2c1=O)N[*:1]
O=C(Cn1nc2n(Cc3ccccc3)c(=O)c3ccccc3n2c1=O)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cn1nc2n(Cc3ccccc3)c(=O)c3ccccc3n2c1=O)NC[*:1]
CCOc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3C)=C2C#N)ccc1O CCOc1cc(ccc1O)[*:1] Cc1cccc(NC(=O)CSC2NC(=O)C[C@@H](C=2C#N)[*:1])c1C
CCOc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3C)=C2C#N)ccc1O Cc1cccc(c1C)[*:1] CCOc1cc(ccc1O)[C@H]1CC(=O)NC(SCC(=O)N[*:1])=C1C#N
CCOc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3C)=C2C#N)ccc1O CCO[*:1] Cc1cccc(NC(=O)CSC2NC(=O)C[C@@H](C=2C#N)c2ccc(O)c(c2)[*:1])c1C
CCCn1ccc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)ccc21 CCC[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1ccc2c(ccn2[*:1])c1
CCCn1ccc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)ccc21 COc1ccc(cc1)[*:1] CCCn1ccc2cc(ccc21)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COCC[NH+](C)CCNC(=O)C1CCC1 COC[*:1] C[NH+](CCNC(=O)C1CCC1)C[*:1]
COCC[NH+](C)CCNC(=O)C1CCC1 C1CC(C1)[*:1] COCC[NH+](C)CCNC(=O)[*:1]
COCC[NH+](C)CCNC(=O)C1CCC1 COCC[*:1] C[NH+](CCNC(=O)C1CCC1)[*:1]
O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cccc(c1)[*:1]
O=C(C[C@H]1CCCCO1)c1ccc2ccccc2c1 C1CC[C@@H](OC1)[*:1] O=C(C[*:1])c1ccc2ccccc2c1
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N[*:1]
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc2c(c1)CCC2 c1csc(c1)C[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])Nc1ccc2CCCc2c1
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc2c(c1)CCC2 C1CC1[*:1] O=C(CSc1nnc(Cc2cccs2)n1[*:1])Nc1ccc2CCCc2c1
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc2c(c1)CCC2 c1csc(c1)[*:1] O=C(CSc1nnc(C[*:1])n1C1CC1)Nc1ccc2CCCc2c1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(Cl)cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(C=C[*:1])NC(=S)NNC(=O)c1ccc(Cl)cc1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])NC(=S)NNC(=O)c1ccc(Cl)cc1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NC(=S)NNC(=O)[*:1]
Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCCc3ccccc32)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCCc2ccccc21
CCCNC(=O)C(=O)Nc1nnc(SCc2ccccc2)s1 CCC[*:1] O=C(Nc1nnc(SCc2ccccc2)s1)C(=O)N[*:1]
CCCNC(=O)C(=O)Nc1nnc(SCc2ccccc2)s1 c1ccc(cc1)[*:1] CCCNC(=O)C(=O)Nc1nnc(SC[*:1])s1
CCCNC(=O)C(=O)Nc1nnc(SCc2ccccc2)s1 c1ccc(cc1)C[*:1] CCCNC(=O)C(=O)Nc1nnc(S[*:1])s1
C[C@H]([NH2+]Cc1ccc(Cl)s1)c1ccoc1 c1cc(co1)[*:1] C[C@H]([NH2+]Cc1ccc(Cl)s1)[*:1]
NC1=NC(=O)[C@@H](CC(=O)N2CC[C@H](c3ccccc3)C2)S1 c1ccc(cc1)[*:1] NC1=NC(=O)[C@@H](CC(=O)N2CC[C@H](C2)[*:1])S1
CCOc1cccc(NC(=O)N(Cc2ccccc2OC)C2CC2)c1 COc1ccccc1[*:1] CCOc1cccc(c1)NC(=O)N(C[*:1])C1CC1
CCOc1cccc(NC(=O)N(Cc2ccccc2OC)C2CC2)c1 CCO[*:1] COc1ccccc1CN(C(=O)Nc1cccc(c1)[*:1])C1CC1
CCOc1cccc(NC(=O)N(Cc2ccccc2OC)C2CC2)c1 C1CC1[*:1] CCOc1cccc(c1)NC(=O)N(Cc1ccccc1OC)[*:1]
C[C@@H]1CC(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)C[C@@H](C)O1 c1cnn(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[*:1]
C[C@@H]1CC(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)C[C@@H](C)O1 Clc1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NC[C@@H](n1cccn1)[*:1]
CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 CC(C)(C)C(=O)N[*:1] O=C(C[*:1])N[C@H]1CCCC[C@@H]1OC1CCCC1
CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1O[*:1]
CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCC[C@H]1[*:1]
CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 CC(C)(C)[*:1] O=C(CNC(=O)[*:1])N[C@H]1CCCC[C@@H]1OC1CCCC1
N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(O)c(I)c2)C1=O N#Cc1ccccc1[*:1] O=C1S/C(=C\c2ccc(O)c(I)c2)C(=O)N1C[*:1]
N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(O)c(I)c2)C1=O Oc1ccc(cc1I)[*:1] N#Cc1ccccc1CN1C(=O)SC(=C[*:1])C1=O
CCOc1ccccc1NC(=O)C(=O)NCc1noc(C)n1 CCO[*:1] Cc1nc(CNC(=O)C(=O)Nc2ccccc2[*:1])no1
CCOc1ccccc1NC(=O)C(=O)NCc1noc(C)n1 Cc1nc(C[*:1])no1 CCOc1ccccc1NC(=O)C(=O)N[*:1]
CCOc1ccccc1NC(=O)C(=O)NCc1noc(C)n1 Cc1nc(no1)[*:1] CCOc1ccccc1NC(=O)C(=O)NC[*:1]
Cc1noc([C@@H](C)OC(=O)c2cccc(OC(F)F)c2)n1 Cc1noc(n1)[*:1] C[C@@H](OC(=O)c1cccc(c1)OC(F)F)[*:1]
Cc1noc([C@@H](C)OC(=O)c2cccc(OC(F)F)c2)n1 FC(F)[*:1] Cc1noc(n1)[C@@H](C)OC(=O)c1cccc(c1)O[*:1]
Cc1noc([C@@H](C)OC(=O)c2cccc(OC(F)F)c2)n1 FC(F)O[*:1] Cc1noc(n1)[C@@H](C)OC(=O)c1cccc(c1)[*:1]
COc1ccc(-c2n[nH]c(NCc3ccco3)nc2=O)cc1 c1coc(c1)CN[*:1] COc1ccc(cc1)-c1n[nH]c(nc1=O)[*:1]
COc1ccc(-c2n[nH]c(NCc3ccco3)nc2=O)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)-c1n[nH]c(nc1=O)N[*:1]
COc1ccc(-c2n[nH]c(NCc3ccco3)nc2=O)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-c1n[nH]c(nc1=O)NC[*:1]
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C1 FC(F)C(F)(F)C[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)c1ccc(nc1)O[*:1]
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C1 FC(F)C(F)(F)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)c1ccc(nc1)OC[*:1]
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C1 FC(F)C(F)(F)CO[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)c1ccc(nc1)[*:1]
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C1 FC(F)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)c1ccc(nc1)OCC(F)(F)[*:1]
CC[C@H]1CCCC[C@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 CC[C@H]1CCCC[C@@H]1[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N[*:1]
CC[C@H]1CCCC[C@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N[C@@H](c1ncon1)[*:1]
CC[C@H]1CCCC[C@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
O=C(c1cnn(-c2ccccc2)c1)N1CCC(C(=O)N2CCCCCC2)CC1 O=C(N1CCCCCC1)[*:1] O=C(c1cnn(c1)-c1ccccc1)N1CCC(CC1)[*:1]
O=C(c1cnn(-c2ccccc2)c1)N1CCC(C(=O)N2CCCCCC2)CC1 c1ccc(cc1)[*:1] O=C(c1cnn(c1)[*:1])N1CCC(CC1)C(=O)N1CCCCCC1
O=C(CN1CCSC1=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 O=C1SCCN1[*:1] O=C(C[*:1])NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12
O=C(CN1CCSC1=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 O=C1SCCN1C[*:1] O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)[*:1]
O=C(CN1CCSC1=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(CN1CCSC1=O)NC[C@H](c1ccccc1Cl)[*:1]
O=C(CN1CCSC1=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 Clc1ccccc1[*:1] O=C(CN1CCSC1=O)NC[C@H](c1c[nH]c2ccccc12)[*:1]
Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NC1CCCCC1 C1CCC(CC1)N[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1ccc(Cl)cc1Cl
Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NC1CCCCC1 Clc1ccc(c(Cl)c1)[*:1] Nc1c(ncnc1NC1CCCCC1)NNC(=O)[*:1]
Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NC1CCCCC1 C1CCC(CC1)[*:1] Nc1c(ncnc1N[*:1])NNC(=O)c1ccc(Cl)cc1Cl
O=C(c1cccc(OCC(F)F)n1)N1CC[C@@]2(CCOC2)C1 FC(F)CO[*:1] O=C(c1cccc(n1)[*:1])N1CC[C@@]2(CCOC2)C1
O=C(c1cccc(OCC(F)F)n1)N1CC[C@@]2(CCOC2)C1 FC(F)C[*:1] O=C(c1cccc(n1)O[*:1])N1CC[C@@]2(CCOC2)C1
O=C(c1cccc(OCC(F)F)n1)N1CC[C@@]2(CCOC2)C1 FC(F)[*:1] O=C(c1cccc(n1)OC[*:1])N1CC[C@@]2(CCOC2)C1
COc1ccc(C(=O)/C(C#N)=c2\s/c(=C\c3ccc(C)cc3)c(=O)n2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(/C=c2\s/c(=C(/C#N)C(=O)[*:1])n(C)c2=O)cc1
COc1ccc(C(=O)/C(C#N)=c2\s/c(=C\c3ccc(C)cc3)c(=O)n2C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)/C(C#N)=c1\sc(=C[*:1])c(=O)n1C
O=C(NCc1ccco1)c1cccc(NC(=O)[C@H]2CCCO2)c1 c1coc(c1)C[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)[C@H]1CCCO1
O=C(NCc1ccco1)c1cccc(NC(=O)[C@H]2CCCO2)c1 c1coc(c1)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)[C@H]1CCCO1
COC(=O)CCn1nc(C)c(C[NH+]2[C@@H](C)CC[C@@H]2C)c1C COC(=O)CC[*:1] Cc1nn(c(C)c1C[NH+]1[C@@H](C)CC[C@@H]1C)[*:1]
COC(=O)CCn1nc(C)c(C[NH+]2[C@@H](C)CC[C@@H]2C)c1C COC(=O)C[*:1] Cc1nn(C[*:1])c(C)c1C[NH+]1[C@@H](C)CC[C@@H]1C
COC(=O)CCn1nc(C)c(C[NH+]2[C@@H](C)CC[C@@H]2C)c1C COC(=O)[*:1] Cc1nn(CC[*:1])c(C)c1C[NH+]1[C@@H](C)CC[C@@H]1C
C[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(-c2cn[nH]c2)c1 O=C(N[*:1])c1cccs1 C[C@H](C(=O)Nc1cccc(c1)-c1cn[nH]c1)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(-c2cn[nH]c2)c1 c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1cccc(c1)-c1cn[nH]c1
C[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(-c2cn[nH]c2)c1 c1n[nH]cc1[*:1] C[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1nnc(/N=C(\[O-])c2cccc(Br)c2)s1 Brc1cccc(c1)[*:1] C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1nnc(/N=C(\[O-])[*:1])s1
O=C(O[C@@H]1CCOC1=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 Brc1ccc(cc1)[*:1] O=C(O[C@@H]1CCOC1=O)c1cc(nc2ccccc12)[*:1]
O=C1C[C@@H](c2cccs2)[C@@H](c2ccccc2)C(=O)N1 c1ccc(cc1)[*:1] O=C1C[C@@H](c2cccs2)[C@@H](C(=O)N1)[*:1]
O=C1C[C@@H](c2cccs2)[C@@H](c2ccccc2)C(=O)N1 c1csc(c1)[*:1] O=C1C[C@@H]([C@H](C(=O)N1)c1ccccc1)[*:1]
CCCOc1cccc([C@@H]([NH3+])[C@@H](C)c2ccncc2)c1 CCCO[*:1] C[C@@H](c1ccncc1)[C@H]([NH3+])c1cccc(c1)[*:1]
CCCOc1cccc([C@@H]([NH3+])[C@@H](C)c2ccncc2)c1 CCC[*:1] C[C@@H](c1ccncc1)[C@H]([NH3+])c1cccc(c1)O[*:1]
CCCOc1cccc([C@@H]([NH3+])[C@@H](C)c2ccncc2)c1 c1cc(ccn1)[*:1] CCCOc1cccc(c1)[C@@H]([NH3+])[C@@H](C)[*:1]
O=C(NC(=S)NCc1ccccc1)c1cccc2ccccc12 c1ccc(cc1)C[*:1] O=C(NC(=S)N[*:1])c1cccc2ccccc12
O=C(NC(=S)NCc1ccccc1)c1cccc2ccccc12 c1ccc(cc1)[*:1] O=C(NC(=S)NC[*:1])c1cccc2ccccc12
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4cc(OC)c(OC)cc4s3)CC2)cc1 COc1ccc(cc1)[*:1] COc1cc2nc(NC(=O)C3CCN(CC3)S(=O)(=O)[*:1])sc2cc1OC
CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1 CCCNC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccccc1[*:1]
CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)N[*:1]
CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCCNC(=O)c1ccccc1NS(=O)(=O)[*:1]
C#CC[C@H](C)OC(=O)/C=C(/C)c1cccc(F)c1 C#CC[*:1] C/C(=C/C(=O)O[C@@H](C)[*:1])c1cccc(F)c1
O=[N+]([O-])c1ccc(NCc2ccccn2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(NCc2ccccn2)c(c1)S(=O)(=O)N[*:1]
O=[N+]([O-])c1ccc(NCc2ccccn2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 O=[N+]([O-])[*:1] O=S(=O)(Nc1ccc(Cl)cc1)c1cc(ccc1NCc1ccccn1)[*:1]
O=[N+]([O-])c1ccc(NCc2ccccn2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 c1ccc(nc1)[*:1] O=[N+]([O-])c1ccc(NC[*:1])c(c1)S(=O)(=O)Nc1ccc(Cl)cc1
O=[N+]([O-])c1ccc(NCc2ccccn2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 c1ccc(C[*:1])nc1 O=[N+]([O-])c1ccc(N[*:1])c(c1)S(=O)(=O)Nc1ccc(Cl)cc1
O=[N+]([O-])c1ccc(NCc2ccccn2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 c1ccc(CN[*:1])nc1 O=[N+]([O-])c1ccc(c(c1)S(=O)(=O)Nc1ccc(Cl)cc1)[*:1]
Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)[nH+]1 OC1(CCCCC1)C[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1C(=O)[*:1])Nc1nccs1
Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)[nH+]1 OC1(CCCCC1)[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1C(=O)C[*:1])Nc1nccs1
Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)[nH+]1 c1csc(n1)[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1C(=O)CC1(O)CCCCC1)N[*:1]
Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)[nH+]1 c1csc(n1)N[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1C(=O)CC1(O)CCCCC1)[*:1]
CC(C)N(C)C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 CC(C)[*:1] CN(C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
N#Cc1csc(CNc2ccc(F)cc2OCC(F)F)c1 FC(F)[*:1] N#Cc1csc(c1)CNc1ccc(F)cc1OC[*:1]
N#Cc1csc(CNc2ccc(F)cc2OCC(F)F)c1 FC(F)CO[*:1] N#Cc1csc(c1)CNc1ccc(F)cc1[*:1]
N#Cc1csc(CNc2ccc(F)cc2OCC(F)F)c1 N#Cc1csc(c1)[*:1] Fc1ccc(NC[*:1])c(c1)OCC(F)F
N#Cc1csc(CNc2ccc(F)cc2OCC(F)F)c1 FC(F)C[*:1] N#Cc1csc(c1)CNc1ccc(F)cc1O[*:1]
CCOC(=O)c1c(NS(=O)(=O)c2cc(Cl)ccc2OC)sc2c1CCCC2 COc1ccc(Cl)cc1[*:1] CCOC(=O)c1c(NS(=O)(=O)[*:1])sc2CCCCc21
CCOC(=O)c1c(NS(=O)(=O)c2cc(Cl)ccc2OC)sc2c1CCCC2 CCOC(=O)[*:1] COc1ccc(Cl)cc1S(=O)(=O)Nc1sc2CCCCc2c1[*:1]
CCN[C@@H](c1ccc2c(c1)OCCO2)[C@H]1CN(C)CCO1 CN1CCO[C@H](C1)[*:1] CCN[C@@H](c1ccc2OCCOc2c1)[*:1]
CCN[C@@H](c1ccc2c(c1)OCCO2)[C@H]1CN(C)CCO1 CCN[*:1] CN1CCO[C@H](C1)[C@H](c1ccc2OCCOc2c1)[*:1]
Cc1cccc(OC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)OC(=O)c1ccc(Cl)c(c1)[*:1]
Cc1cccc(OC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)c1cc(ccc1Cl)C(=O)O[*:1]
COc1ccccc1C(=O)Nc1nc(-c2ccco2)cs1 c1coc(c1)[*:1] COc1ccccc1C(=O)Nc1nc(cs1)[*:1]
O=C(NCc1ccc(-n2cncn2)cc1)N1CCC[C@H]1C1CCCCC1 c1ncn(n1)[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCC[C@H]1C1CCCCC1
O=C(NCc1ccc(-n2cncn2)cc1)N1CCC[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(NCc1ccc(cc1)-n1cncn1)N1CCC[C@@H]1[*:1]
CCCn1nc(C(=O)N(C)[C@H]2C[C@@H](OCC)C23CCCC3)ccc1=O CCC[*:1] CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(=O)n(n2)[*:1])C12CCCC2
CCCn1nc(C(=O)N(C)[C@H]2C[C@@H](OCC)C23CCCC3)ccc1=O CCO[*:1] CCCn1nc(ccc1=O)C(=O)N(C)[C@H]1C[C@@H](C12CCCC2)[*:1]
CCCC(=O)Nc1cccc(CNc2cc(-n3cccn3)nc(N)n2)c1 c1cnn(c1)[*:1] CCCC(=O)Nc1cccc(c1)CNc1cc(nc(N)n1)[*:1]
CCCC(=O)Nc1cccc(CNc2cc(-n3cccn3)nc(N)n2)c1 CCCC(=O)N[*:1] Nc1nc(cc(n1)-n1cccn1)NCc1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(CNc2cc(-n3cccn3)nc(N)n2)c1 CCC[*:1] Nc1nc(cc(n1)-n1cccn1)NCc1cccc(c1)NC(=O)[*:1]
O=C1CCN([C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 O=C1CCN(CC1)[*:1] O=C(Nc1ccc(Cl)c(c1)C(F)(F)F)[C@@H](c1ccccc1)[*:1]
O=C1CCN([C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 FC(F)(F)[*:1] O=C1CCN(CC1)[C@@H](C(=O)Nc1ccc(Cl)c(c1)[*:1])c1ccccc1
O=C1CCN([C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C1CCN(CC1)[C@@H](C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N[C@@H](C)C1CC1 C1CC1[*:1] Cc1cn(nc1NC(=O)N[C@@H](C)[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N[C@@H](C)C1CC1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)N[C@@H](C)C1CC1)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] Cc1cn(nc1NC(=O)N[*:1])-c1ccccc1Cl
CC(C)C[C@H](CNC(=O)c1ccc(O)cc1O)C(=O)[O-] CC(C)C[*:1] O=C(NC[C@H](C(=O)[O-])[*:1])c1ccc(O)cc1O
CC(C)C[C@H](CNC(=O)c1ccc(O)cc1O)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)c1ccc(O)cc1O)[*:1]
CC(C)C[C@H](CNC(=O)c1ccc(O)cc1O)C(=O)[O-] CC(C)[*:1] O=C(NC[C@@H](C[*:1])C(=O)[O-])c1ccc(O)cc1O
CCc1cccc(-n2nnnc2N2CCN(C(=O)Nc3cccc(C)c3C)CC2)c1 CCc1cccc(c1)[*:1] Cc1cccc(NC(=O)N2CCN(CC2)c2nnnn2[*:1])c1C
CCc1cccc(-n2nnnc2N2CCN(C(=O)Nc3cccc(C)c3C)CC2)c1 Cc1cccc(c1C)[*:1] CCc1cccc(c1)-n1nnnc1N1CCN(CC1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N(C)Cc2cccs2)c(Cl)c1 c1csc(c1)C[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)N(C)[*:1]
Cc1ccc(S(=O)(=O)N(C)Cc2cccs2)c(Cl)c1 c1csc(c1)[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)N(C)C[*:1]
CCn1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)c(=O)c2ccc(C)nc21 Cc1ccc(cc1)[*:1] CCn1cc(C(=O)NC[C@H](N2CCOCC2)[*:1])c(=O)c2ccc(C)nc21
CCn1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)c(=O)c2ccc(C)nc21 C1CN(CCO1)[*:1] CCn1cc(C(=O)NC[C@H](c2ccc(C)cc2)[*:1])c(=O)c2ccc(C)nc21
O=Cc1cccc(OCC(=O)NC2CC2)c1 C1CC1[*:1] O=Cc1cccc(c1)OCC(=O)N[*:1]
COC(=O)c1cc(C(=O)Nc2cc(OC)ccc2OC)c(=O)[nH]c1C COC(=O)[*:1] COc1ccc(OC)c(c1)NC(=O)c1cc(c(C)[nH]c1=O)[*:1]
COc1ccccc1N1C(=O)S/C(=C(/C)c2ccc(C)c(C)c2)C1=O Cc1ccc(cc1C)[*:1] COc1ccccc1N1C(=O)SC(C1=O)=C(C)[*:1]
COc1ccccc1N1C(=O)S/C(=C(/C)c2ccc(C)c(C)c2)C1=O COc1ccccc1[*:1] C/C(=C1/SC(=O)N(C1=O)[*:1])c1ccc(C)c(C)c1
CC(C)c1nc([C@H]2CCCN2c2ncc(C#N)cc2Cl)no1 CC(C)[*:1] N#Cc1cnc(c(Cl)c1)N1CCC[C@@H]1c1noc(n1)[*:1]
CCCn1nccc1[C@H]([NH2+]CC)[C@H]1CN(C)CCO1 CCC[*:1] CC[NH2+][C@@H](c1ccnn1[*:1])[C@H]1CN(C)CCO1
CCc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] CCc1ccccc1OCC(=O)Nc1cccc(c1)[*:1]
CCc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 CCc1ccccc1[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)CO[*:1]
CC[C@H](C)NC(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 CC[C@H](C)NC(=O)N[*:1] O=C1C[C@H](CN1c1ccc2OCCOc2c1)[*:1]
CC[C@H](C)NC(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 CC[C@H](C)[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)N[*:1]
Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[*:1])[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C
Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[N+](=O)[O-])[*:1])C(=O)N1c2ccccc2C[C@@H]1C
CCCCNC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 CCCC[*:1] O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N[*:1]
CCCCNC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 CCC[*:1] O=C(NC[*:1])NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
[NH3+][C@H](C(=O)[O-])c1cc2c(cc1Br)OCO2 O=C([O-])[*:1] [NH3+][C@H](c1cc2OCOc2cc1Br)[*:1]
COc1ccc(Nc2ncc3c(n2)C[C@H](c2cccc(C)c2)CC3=O)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)[C@@H]1CC(=O)c2cnc(nc2C1)N[*:1]
COc1ccc(Nc2ncc3c(n2)C[C@H](c2cccc(C)c2)CC3=O)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)Nc1ncc2C(=O)C[C@@H](Cc2n1)[*:1]
COc1ccc(Nc2ncc3c(n2)C[C@H](c2cccc(C)c2)CC3=O)cc1 COc1ccc(cc1)N[*:1] Cc1cccc(c1)[C@@H]1CC(=O)c2cnc(nc2C1)[*:1]
Cc1cc(C)nc(-n2ncc([C@@H](C)O)c2C)n1 C[C@@H](O)[*:1] Cc1cc(C)nc(n1)-n1ncc(c1C)[*:1]
Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(=O)NC(C)(C)C)[C@@H]4C2=O)c(C)c1 CC(C)(C)NC(=O)C[*:1] Cc1ccc(c(C)c1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O[*:1])[C@@H]3C1=O
Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(=O)NC(C)(C)C)[C@@H]4C2=O)c(C)c1 CC(C)(C)[*:1] Cc1ccc(c(C)c1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCC(=O)N[*:1])[C@@H]3C1=O
Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(=O)NC(C)(C)C)[C@@H]4C2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)(C)NC(=O)COC(=O)[C@@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(=O)NC(C)(C)C)[C@@H]4C2=O)c(C)c1 CC(C)(C)NC(=O)[*:1] Cc1ccc(c(C)c1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OC[*:1])[C@@H]3C1=O
C[C@H](SCC(=O)Nc1nnc(C2CC2)s1)c1nc2ccccc2[nH]1 C1CC1[*:1] C[C@H](SCC(=O)Nc1nnc(s1)[*:1])c1nc2ccccc2[nH]1
C[C@H](SCC(=O)Nc1nnc(C2CC2)s1)c1nc2ccccc2[nH]1 C1CC1c1nnc(s1)[*:1] C[C@H](SCC(=O)N[*:1])c1nc2ccccc2[nH]1
O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cccc2cc[nH]c12 c1ccc(cc1)[*:1] O=C(NC[C@@H]1C[C@@H]1[*:1])c1cccc2cc[nH]c12
CCO[C@@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)c1ccccc1C CCO[*:1] Cc1ccccc1S(=O)(=O)/N=C(\[O-])[C@H]1C[C@H]1[*:1]
O=C(Nc1ccccc1N1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1ccccc1N1CCCCCC1)c1ccc(Cl)c(c1)[*:1]
O=C(Nc1ccccc1N1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 C1CCCN(CC1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
C[C@@H](Cc1ccco1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 c1coc(c1)[*:1] C[C@@H](C[*:1])NC(=O)C1=NN(C(=O)[C@H](C)N1)c1ccccc1
C[C@@H](Cc1ccco1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 C[C@@H](Cc1ccco1)[*:1] C[C@@H]1NC(=NN(C1=O)c1ccccc1)C(=O)N[*:1]
C[C@@H](Cc1ccco1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 c1ccc(cc1)[*:1] C[C@@H](Cc1ccco1)NC(=O)C1=NN(C(=O)[C@H](C)N1)[*:1]
C[C@@H](Cc1ccco1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 c1coc(c1)C[*:1] C[C@@H]1NC(=NN(C1=O)c1ccccc1)C(=O)N[C@H](C)[*:1]
O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] O=C(NC1CCCCC1)N1CCc2cc(ccc21)S(=O)(=O)N[*:1]
O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21 C1CCC(CC1)[*:1] O=C(N[*:1])N1CCc2cc(ccc21)S(=O)(=O)Nc1ccc(F)cc1
Cc1ccc(SCCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 CC(C)C(=O)N[*:1] Cc1ccc(cc1)SCCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(SCCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 Cc1ccc(cc1)S[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)CC[*:1]
Cc1ccc(SCCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 CC(C)[*:1] Cc1ccc(cc1)SCCC(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(SCCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)CCS[*:1]
O=C(c1ccno1)N1CCC(CNC(=O)C2(c3cccs3)CCCCC2)CC1 c1cc(on1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])C1(CCCCC1)c1cccs1
O=C(c1ccno1)N1CCC(CNC(=O)C2(c3cccs3)CCCCC2)CC1 c1csc(c1)[*:1] O=C(c1ccno1)N1CCC(CC1)CNC(=O)C1(CCCCC1)[*:1]
CCOC(=O)C1CCN(C(=S)Nc2cccc(C)c2)CC1 CCOC(=O)[*:1] Cc1cccc(c1)NC(=S)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(C(=S)Nc2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CCOC(=O)C1CCN(CC1)C(=S)N[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)NCCCC(C)C CC(C)CC[*:1] CCS(=O)(=O)c1ccc(Cl)cc1C(=O)NC[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)NCCCC(C)C CCS(=O)(=O)[*:1] CC(C)CCCNC(=O)c1cc(Cl)ccc1[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)NCCCC(C)C CC(C)[*:1] CCS(=O)(=O)c1ccc(Cl)cc1C(=O)NCCC[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)NCCCC(C)C CC(C)C[*:1] CCS(=O)(=O)c1ccc(Cl)cc1C(=O)NCC[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)NCCCC(C)C CC(C)CCC[*:1] CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N[*:1]
Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCn3c(C)nnc32)[NH+]2CCCC2)o1 Cc1ccc(o1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
C#CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CCCC CCC[*:1] C#CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C[*:1]
C#CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CCCC C#CCNC(=O)CS[*:1] CCCCn1c(nc2sc(C)c(C)c2c1=O)[*:1]
C#CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CCCC C#CCNC(=O)C[*:1] CCCCn1c(nc2sc(C)c(C)c2c1=O)S[*:1]
C#CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CCCC CCCC[*:1] C#CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1[*:1]
C#CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CCCC C#CC[*:1] CCCCn1c(nc2sc(C)c(C)c2c1=O)SCC(=O)N[*:1]
C#CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CCCC C#CCNC(=O)[*:1] CCCCn1c(nc2sc(C)c(C)c2c1=O)SC[*:1]
O=C([O-])CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl O=C([O-])CC[*:1] O=S(=O)(NC[*:1])c1cc(ccc1Cl)C(F)(F)F
O=C([O-])CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl O=C([O-])C[*:1] O=S(=O)(NCC[*:1])c1cc(ccc1Cl)C(F)(F)F
O=C([O-])CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] O=C([O-])CCCNS(=O)(=O)c1cc(ccc1Cl)[*:1]
O=C([O-])CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl O=C([O-])[*:1] O=S(=O)(NCCC[*:1])c1cc(ccc1Cl)C(F)(F)F
O=C([O-])CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl O=C([O-])CCC[*:1] O=S(=O)(N[*:1])c1cc(ccc1Cl)C(F)(F)F
CCOc1ccccc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 CCO[*:1] C[C@@H](CC(=O)Nc1ccccc1[*:1])S(=O)(=O)c1ccc2SCC(=O)Nc2c1
CCOc1ccccc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 CCOc1ccccc1[*:1] C[C@@H](CC(=O)N[*:1])S(=O)(=O)c1ccc2SCC(=O)Nc2c1
c1coc(CN2CCO[C@H](c3ccco3)C2)c1 c1coc(c1)[*:1] c1coc(c1)[C@@H]1CN(CCO1)C[*:1]
c1coc(CN2CCO[C@H](c3ccco3)C2)c1 c1coc(c1)[*:1] c1coc(c1)CN1CCO[C@H](C1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(C)o3)C2)c1 Cc1ccc(o1)[C@H](C)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)N[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(C)o3)C2)c1 CCOC(=O)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(C)o3)C2)c1 Cc1ccc(o1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
COc1ccc(OCC2CC[NH+](CC(=O)Nc3ccn(C)n3)CC2)cc1 Cn1ccc(n1)[*:1] COc1ccc(cc1)OCC1CC[NH+](CC1)CC(=O)N[*:1]
COc1ccc(OCC2CC[NH+](CC(=O)Nc3ccn(C)n3)CC2)cc1 COc1ccc(cc1)[*:1] Cn1ccc(n1)NC(=O)C[NH+]1CCC(CC1)CO[*:1]
CCC/C(C)=C\C(=O)C1CCC(=O)CC1 CCC[*:1] CC(=CC(=O)C1CCC(=O)CC1)[*:1]
COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)c3ccc(F)cc3)C2=O)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)N1C(=O)C[C@H](C1=O)N(C[*:1])C(=O)c1ccc(F)cc1
COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)c3ccc(F)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(F)cc1)N(CCc1ccccc1)[C@@H]1CC(=O)N(C1=O)[*:1]
COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)c3ccc(F)cc3)C2=O)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)N1C(=O)C[C@H](C1=O)N(C(=O)c1ccc(F)cc1)[*:1]
COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)c3ccc(F)cc3)C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C[C@H](C1=O)N(CC[*:1])C(=O)c1ccc(F)cc1
COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)c3ccc(F)cc3)C2=O)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C[C@H](C1=O)N(CCc1ccccc1)C(=O)[*:1]
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)NN=C[*:1]
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 CC(C)(C)C(=O)N[*:1] O=C(N/N=C/c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1]
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 CC(C)(C)[*:1] O=C(N/N=C/c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)[*:1]
CCC[C@@H](C)[NH2+]C[C@H](C)Oc1cccnc1C CCC[*:1] Cc1ncccc1O[C@@H](C)C[NH2+][C@H](C)[*:1]
CCC[C@@H](C)[NH2+]C[C@H](C)Oc1cccnc1C CCC[C@@H](C)[*:1] Cc1ncccc1O[C@@H](C)C[NH2+][*:1]
O=C(N[C@H]1CCCc2occc21)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C(N[C@H]1CCCc2occc21)N1CCC(CC1)[*:1]
O=C(N[C@H]1CCCc2occc21)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N[C@H]1CCCc2occc21)N1CCC(CC1)OC[*:1]
O=C(N[C@H]1CCCc2occc21)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(N[C@H]1CCCc2occc21)N1CCC(CC1)O[*:1]
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2O)s1 CC(=O)NCC[*:1] Cc1ccc([N-]S(=O)(=O)c2ccc(s2)[*:1])c(O)c1
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2O)s1 CC(=O)NC[*:1] Cc1ccc([N-]S(=O)(=O)c2ccc(C[*:1])s2)c(O)c1
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2O)s1 CC(=O)N[*:1] Cc1ccc([N-]S(=O)(=O)c2ccc(CC[*:1])s2)c(O)c1
O=C([O-])[C@@H]1C[C@H]1c1cccc(F)c1F O=C([O-])[*:1] Fc1cccc(c1F)[C@@H]1C[C@H]1[*:1]
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1S(C)(=O)=O FC(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)Nc1ccccc1S(C)(=O)=O
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)Nc1ccccc1[*:1]
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1S(C)(=O)=O FC(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)Nc1ccccc1S(C)(=O)=O
CC(C)CCCOC/C=C/CS CC(C)[*:1] SC/C=C/COCCC[*:1]
CC(C)CCCOC/C=C/CS SCC=C[*:1] CC(C)CCCOC[*:1]
CC(C)CCCOC/C=C/CS CC(C)C[*:1] SC/C=C/COCC[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 Clc1ccccc1[*:1] Cc1onc(c1C(=O)Nc1nc2CC(C)(C)CC(=O)c2s1)[*:1]
C[C@H]1CCCC[C@@H]1n1c(SCC(=O)[O-])nc2ccccc2c1=O O=C([O-])CS[*:1] C[C@H]1CCCC[C@@H]1n1c(nc2ccccc2c1=O)[*:1]
C[C@H]1CCCC[C@@H]1n1c(SCC(=O)[O-])nc2ccccc2c1=O O=C([O-])[*:1] C[C@H]1CCCC[C@@H]1n1c(nc2ccccc2c1=O)SC[*:1]
C[C@H]1CCCC[C@@H]1n1c(SCC(=O)[O-])nc2ccccc2c1=O O=C([O-])C[*:1] C[C@H]1CCCC[C@@H]1n1c(nc2ccccc2c1=O)S[*:1]
COc1ccccc1CC(=O)Nc1cc(C)ccc1NC(=O)C1CCCCC1 O=C(N[*:1])C1CCCCC1 COc1ccccc1CC(=O)Nc1cc(C)ccc1[*:1]
COc1ccccc1CC(=O)Nc1cc(C)ccc1NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] COc1ccccc1CC(=O)Nc1cc(C)ccc1NC(=O)[*:1]
COc1ccccc1CC(=O)Nc1cc(C)ccc1NC(=O)C1CCCCC1 COc1ccccc1[*:1] Cc1ccc(NC(=O)C2CCCCC2)c(c1)NC(=O)C[*:1]
COc1ccccc1CC(=O)Nc1cc(C)ccc1NC(=O)C1CCCCC1 COc1ccccc1C[*:1] Cc1ccc(NC(=O)C2CCCCC2)c(c1)NC(=O)[*:1]
CC[C@H](CCO)CNC(=O)Cc1cccc(Br)c1 CC[C@H](CCO)[*:1] O=C(Cc1cccc(Br)c1)NC[*:1]
CC[C@H](CCO)CNC(=O)Cc1cccc(Br)c1 OCC[*:1] CC[C@H](CNC(=O)Cc1cccc(Br)c1)[*:1]
CC(C)N1CC[C@@H](Nc2ccccc2OC2CCCC2)C1=O CC(C)[*:1] O=C1[C@@H](CCN1[*:1])Nc1ccccc1OC1CCCC1
CC(C)N1CC[C@@H](Nc2ccccc2OC2CCCC2)C1=O C1CCC(C1)[*:1] CC(C)N1CC[C@@H](Nc2ccccc2O[*:1])C1=O
CC(C)N1CC[C@@H](Nc2ccccc2OC2CCCC2)C1=O C1CCC(C1)O[*:1] CC(C)N1CC[C@@H](Nc2ccccc2[*:1])C1=O
C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)N1CCc2ccccc21 Clc1ccc(cc1)[*:1] C[C@H](OC(=O)C1CCN(CC1)S(=O)(=O)[*:1])C(=O)N1CCc2ccccc21
O=C(CN(Cc1ccccc1)C(=O)Cn1nnc2ccccc21)Nc1ccc2c(c1)OCO2 c1ccc2c(c1)nnn2C[*:1] O=C(CN(Cc1ccccc1)C(=O)[*:1])Nc1ccc2OCOc2c1
O=C(CN(Cc1ccccc1)C(=O)Cn1nnc2ccccc21)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(CN(C[*:1])C(=O)Cn1nnc2ccccc21)Nc1ccc2OCOc2c1
O=C(CN(Cc1ccccc1)C(=O)Cn1nnc2ccccc21)Nc1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] O=C(CN(C(=O)Cn1nnc2ccccc21)[*:1])Nc1ccc2OCOc2c1
O=C(CN(Cc1ccccc1)C(=O)Cn1nnc2ccccc21)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CN(Cc1ccccc1)C(=O)Cn1nnc2ccccc21)N[*:1]
O=C(CN(Cc1ccccc1)C(=O)Cn1nnc2ccccc21)Nc1ccc2c(c1)OCO2 c1ccc2c(c1)nnn2[*:1] O=C(CN(Cc1ccccc1)C(=O)C[*:1])Nc1ccc2OCOc2c1
Cc1c([C@@H](C)[NH2+]CCn2c(=O)[nH]c3ccccc32)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)[NH2+]CCn1c(=O)[nH]c2ccccc21
Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)no1 Brc1ccccc1[*:1] Cc1cc(no1)NC(=O)C(=O)N[C@@H](C)[*:1]
Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)no1 Cc1cc(no1)[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1ccccc1Br
COc1cccc2c1Oc1ccccc1N=C2N1CCN(C(=O)c2c(F)cccc2F)[C@H](C)C1 Fc1cccc(F)c1[*:1] COc1cccc2C(=Nc3ccccc3Oc12)N1CCN(C(=O)[*:1])[C@H](C)C1
[NH3+][C@H]1CCCCC[C@@H]1C(=O)OCC1CCCCC1 C1CCC(CC1)[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)OC[*:1]
NC(=O)c1ccsc1NC(=O)CCSc1ncccc1Cl NC(=O)[*:1] O=C(CCSc1ncccc1Cl)Nc1sccc1[*:1]
NC(=O)c1ccsc1NC(=O)CCSc1ncccc1Cl Clc1cccnc1[*:1] NC(=O)c1ccsc1NC(=O)CCS[*:1]
O=[N+]([O-])c1ccc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1O Fc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1O)CN(C[C@@H](O)[*:1])C1CC1
O=[N+]([O-])c1ccc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1O C1CC1[*:1] O=[N+]([O-])c1ccc(cc1O)CN(C[C@@H](O)c1ccc(F)cc1)[*:1]
O=[N+]([O-])c1ccc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1O O=[N+]([O-])[*:1] Oc1cc(ccc1[*:1])CN(C[C@@H](O)c1ccc(F)cc1)C1CC1
COC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@@H]1c1ccc2c(c1)OCCO2 c1cc(ccn1)[*:1] COC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1ccc2OCCOc2c1)[*:1]
COC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@@H]1c1ccc2c(c1)OCCO2 COC(=O)[*:1] CC1Nc2nc(nn2[C@@H](C=1[*:1])c1ccc2OCCOc2c1)-c1ccncc1
COC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@@H]1c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] COC(=O)C1=C(C)Nc2nc(nn2[C@H]1[*:1])-c1ccncc1
CC[C@H](C)n1ncc(C(=O)NCc2sccc2C)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)NCc2sccc2C)c1[*:1]
CC[C@H](C)n1ncc(C(=O)NCc2sccc2C)c1C1CC1 CC[C@H](C)[*:1] Cc1ccsc1CNC(=O)c1cnn(c1C1CC1)[*:1]
CC[C@H](C)n1ncc(C(=O)NCc2sccc2C)c1C1CC1 Cc1ccsc1C[*:1] CC[C@H](C)n1ncc(C(=O)N[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)NCc2sccc2C)c1C1CC1 Cc1ccsc1[*:1] CC[C@H](C)n1ncc(C(=O)NC[*:1])c1C1CC1
CCCC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](CC)CC1 CCCC[*:1] CC[NH+]1CCN(CC1)[C@H](c1nnnn1C1CCCC1)[*:1]
CCCC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](CC)CC1 C1CCC(C1)[*:1] CCCC[C@@H](c1nnnn1[*:1])N1CC[NH+](CC)CC1
CCCC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](CC)CC1 CCC[*:1] CC[NH+]1CCN(CC1)[C@@H](C[*:1])c1nnnn1C1CCCC1
CCNC(=O)[C@H]1CCCN(C(=O)C=C(C2CC2)C2CC2)C1 CCNC(=O)[*:1] O=C(C=C(C1CC1)C1CC1)N1CCC[C@@H](C1)[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)C=C(C2CC2)C2CC2)C1 C1CC1[*:1] CCNC(=O)[C@H]1CCCN(C1)C(=O)C=C(C1CC1)[*:1]
O=C(NC[C@H]1CCCCN1c1ncnc2c1oc1ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCCN1c1ncnc2c1oc1ccccc12)[*:1]
O=C(NC[C@H]1CCCCN1c1ncnc2c1oc1ccccc12)c1ccccc1 O=C(N[*:1])c1ccccc1 c1ccc2c(c1)oc1c(ncnc12)N1CCCC[C@@H]1C[*:1]
O=C(Cc1ccc[nH]1)NC[C@@H](O)c1ccc(Cl)cc1 c1c[nH]c(c1)[*:1] O=C(C[*:1])NC[C@@H](O)c1ccc(Cl)cc1
O=C(Cc1ccc[nH]1)NC[C@@H](O)c1ccc(Cl)cc1 c1c[nH]c(c1)C[*:1] O=C(NC[C@@H](O)c1ccc(Cl)cc1)[*:1]
CC(C)Cn1ccc2cc(NC(=O)C(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)ccc21 CC(C)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1ccc2c(ccn2[*:1])c1
CC(C)Cn1ccc2cc(NC(=O)C(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)ccc21 CC(C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1ccc2c(ccn2C[*:1])c1
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@@H]1c1cccc(F)c1 O=[N+]([O-])[*:1] O=C([C@H]1C[C@H]1[*:1])N1CCC[C@@H]1c1cccc(F)c1
CC1CCC(N(C)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 CC1CCC(CC1)[*:1] CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 CCC(=O)N[*:1] C[C@@H]1CCN(C[C@H]1O)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)c2ccccc2C1=O Clc1ccc(c(Cl)c1)[*:1] C[C@@H](O[*:1])C(=O)NN1C(=O)c2ccccc2C1=O
Cc1ccoc1C(=O)NCCCNC(=O)C1CC[NH+](C(C)C)CC1 Cc1ccoc1[*:1] CC(C)[NH+]1CCC(CC1)C(=O)NCCCNC(=O)[*:1]
Cc1ccoc1C(=O)NCCCNC(=O)C1CC[NH+](C(C)C)CC1 CC(C)[*:1] Cc1ccoc1C(=O)NCCCNC(=O)C1CC[NH+](CC1)[*:1]
CCc1nnc(NC(=O)Cc2ccc(-n3cccc3)cc2)s1 c1ccn(c1)[*:1] CCc1nnc(NC(=O)Cc2ccc(cc2)[*:1])s1
CCc1nnc(NC(=O)Cc2ccc(-n3cccc3)cc2)s1 CCc1nnc(s1)[*:1] O=C(Cc1ccc(cc1)-n1cccc1)N[*:1]
Cc1ccc(C)c(S(=O)(=O)NCc2nc(-c3cccs3)no2)c1 c1csc(c1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NCc1nc(no1)[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2F)C1 CCC[*:1] O=C(NNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1])c1ccc(Cl)cc1F
CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2F)C1 Fc1cc(Cl)ccc1[*:1] CCCC(=O)N1CCC[C@H](C1)C(=O)NNC(=O)[*:1]
O=C(Nc1sc2c(c1C(=O)N1CCN(C(=O)CCC3CCCC3)CC1)CCCC2)c1cccnc1 C1CCC(C1)C[*:1] O=C(Nc1sc2CCCCc2c1C(=O)N1CCN(CC1)C(=O)C[*:1])c1cccnc1
O=C(Nc1sc2c(c1C(=O)N1CCN(C(=O)CCC3CCCC3)CC1)CCCC2)c1cccnc1 C1CCC(C1)CC[*:1] O=C(Nc1sc2CCCCc2c1C(=O)N1CCN(CC1)C(=O)[*:1])c1cccnc1
O=C(Nc1sc2c(c1C(=O)N1CCN(C(=O)CCC3CCCC3)CC1)CCCC2)c1cccnc1 c1cncc(c1)[*:1] O=C(CCC1CCCC1)N1CCN(CC1)C(=O)c1c(NC(=O)[*:1])sc2CCCCc21
O=C(Nc1sc2c(c1C(=O)N1CCN(C(=O)CCC3CCCC3)CC1)CCCC2)c1cccnc1 O=C(N[*:1])c1cccnc1 O=C(CCC1CCCC1)N1CCN(CC1)C(=O)c1c(sc2CCCCc21)[*:1]
O=C(Nc1sc2c(c1C(=O)N1CCN(C(=O)CCC3CCCC3)CC1)CCCC2)c1cccnc1 C1CCC(C1)[*:1] O=C(Nc1sc2CCCCc2c1C(=O)N1CCN(CC1)C(=O)CC[*:1])c1cccnc1
COc1ccc([C@@H]2C3=C(CCCC3=O)Cc3nc(SC)nc(N)c32)cc1 COc1ccc(cc1)[*:1] CSc1nc(N)c2c(CC3CCCC(=O)C=3[C@H]2[*:1])n1
CC(=O)Nc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc3ccccc23)cc1 CC(=O)N[*:1] C[C@H](N[C@@H](C)c1cccc2ccccc12)C(=O)Nc1ccc(cc1)[*:1]
Cc1noc(C)c1COc1cccc(C(=O)NC[C@H]2COc3ccccc3C2)c1 Cc1noc(C)c1[*:1] O=C(NC[C@H]1COc2ccccc2C1)c1cccc(c1)OC[*:1]
Cc1noc(C)c1COc1cccc(C(=O)NC[C@H]2COc3ccccc3C2)c1 Cc1noc(C)c1C[*:1] O=C(NC[C@H]1COc2ccccc2C1)c1cccc(c1)O[*:1]
Cc1noc(C)c1COc1cccc(C(=O)NC[C@H]2COc3ccccc3C2)c1 Cc1noc(C)c1CO[*:1] O=C(NC[C@H]1COc2ccccc2C1)c1cccc(c1)[*:1]
C[C@@H]([NH3+])CCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 O=C([O-])[*:1] C[C@@H]([NH3+])CCC(=O)N1CC(C1)n1cc(nn1)[*:1]
Cc1csc([C@@H](NC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)C2CC2)n1 CC(C)[*:1] Cc1csc(n1)[C@@H](NC(=O)N[C@H]1CCC[C@@H](C1)C(=O)N[*:1])C1CC1
Cc1csc([C@@H](NC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)C2CC2)n1 CC(C)NC(=O)[*:1] Cc1csc(n1)[C@@H](NC(=O)N[C@H]1CCC[C@H](C1)[*:1])C1CC1
Cc1csc([C@@H](NC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)N[C@H]1CCC[C@@H](C1)C(=O)NC(C)C)[*:1]
Cc1csc([C@@H](NC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)C2CC2)n1 Cc1csc(n1)[*:1] CC(C)NC(=O)[C@H]1CCC[C@@H](C1)NC(=O)N[C@@H](C1CC1)[*:1]
COCCOC1CCN(C(=O)N[C@H](c2cc(F)ccc2F)C2CC2)CC1 COCCO[*:1] O=C(N[C@H](c1cc(F)ccc1F)C1CC1)N1CCC(CC1)[*:1]
COCCOC1CCN(C(=O)N[C@H](c2cc(F)ccc2F)C2CC2)CC1 C1CC1[*:1] COCCOC1CCN(CC1)C(=O)N[C@H](c1cc(F)ccc1F)[*:1]
COCCOC1CCN(C(=O)N[C@H](c2cc(F)ccc2F)C2CC2)CC1 COCC[*:1] O=C(N[C@H](c1cc(F)ccc1F)C1CC1)N1CCC(CC1)O[*:1]
COCCOC1CCN(C(=O)N[C@H](c2cc(F)ccc2F)C2CC2)CC1 COC[*:1] O=C(N[C@H](c1cc(F)ccc1F)C1CC1)N1CCC(CC1)OC[*:1]
COCCOC1CCN(C(=O)N[C@H](c2cc(F)ccc2F)C2CC2)CC1 Fc1ccc(F)c(c1)[*:1] COCCOC1CCN(CC1)C(=O)N[C@H](C1CC1)[*:1]
CCOc1c(F)cccc1C(=O)N(C)Cc1ccc(C(=O)NC)cc1 CNC(=O)[*:1] CCOc1c(F)cccc1C(=O)N(C)Cc1ccc(cc1)[*:1]
CCOc1c(F)cccc1C(=O)N(C)Cc1ccc(C(=O)NC)cc1 CCO[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)c1cccc(F)c1[*:1]
COc1c(C[NH2+]C[C@H]2CCCN(c3ncccn3)C2)c(C)nn1C c1cnc(nc1)[*:1] COc1c(C[NH2+]C[C@H]2CCCN(C2)[*:1])c(C)nn1C
CSCC[C@H](C)N(C)C(=O)Nc1cc(C(C)(C)C)on1 CSCC[*:1] C[C@H](N(C)C(=O)Nc1cc(on1)C(C)(C)C)[*:1]
CSCC[C@H](C)N(C)C(=O)Nc1cc(C(C)(C)C)on1 CC(C)(C)[*:1] CSCC[C@H](C)N(C)C(=O)Nc1cc(on1)[*:1]
CSCC[C@H](C)N(C)C(=O)Nc1cc(C(C)(C)C)on1 CSC[*:1] C[C@@H](C[*:1])N(C)C(=O)Nc1cc(on1)C(C)(C)C
CSCC[C@H](C)N(C)C(=O)Nc1cc(C(C)(C)C)on1 CSCC[C@H](C)[*:1] CN(C(=O)Nc1cc(on1)C(C)(C)C)[*:1]
Cc1ccccc1N1C(=O)C2=C3C[C@H](C(C)C)OC[C@H]3SC2=NC1=S CC(C)[*:1] Cc1ccccc1N1C(=O)C2C(=NC1=S)S[C@@H]1CO[C@@H](CC=21)[*:1]
Cc1ccccc1N1C(=O)C2=C3C[C@H](C(C)C)OC[C@H]3SC2=NC1=S Cc1ccccc1[*:1] CC(C)[C@H]1CC2=C3C(=O)N(C(=S)N=C3S[C@@H]2CO1)[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)CCCn1ccnn1 c1cn(nn1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)CCC[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)CCCn1ccnn1 c1cn(CC[*:1])nn1 Cc1nnc2[C@@H](CCCn12)NC(=O)C[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 Cc1nnc2[C@@H](CCCn12)NC(=O)CC[*:1]
C#Cc1cc(F)c(NC(=O)CNC(=O)[C@H](C)CC)c(F)c1 CC[C@@H](C)[*:1] C#Cc1cc(F)c(NC(=O)CNC(=O)[*:1])c(F)c1
C#Cc1cc(F)c(NC(=O)CNC(=O)[C@H](C)CC)c(F)c1 CC[C@@H](C)C(=O)N[*:1] C#Cc1cc(F)c(NC(=O)C[*:1])c(F)c1
CCOc1cccc(NC(=O)c2ccc(C(F)(F)F)nc2[O-])c1 FC(F)(F)[*:1] CCOc1cccc(c1)NC(=O)c1ccc(nc1[O-])[*:1]
CCOc1cccc(NC(=O)c2ccc(C(F)(F)F)nc2[O-])c1 CCO[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(nc1[O-])C(F)(F)F
Cc1cc(S[C@@H]2CC[C@]([NH2+]C(C)C)(C(N)=O)C2)n(C)n1 NC(=O)[*:1] Cc1cc(S[C@@H]2CC[C@@](C2)([NH2+]C(C)C)[*:1])n(C)n1
Cc1cc(S[C@@H]2CC[C@]([NH2+]C(C)C)(C(N)=O)C2)n(C)n1 CC(C)[*:1] Cc1cc(S[C@@H]2CC[C@](C2)([NH2+][*:1])C(N)=O)n(C)n1
O=S(=O)(/N=C(\[O-])COc1ccc2c(c1)CCC2)c1cccnc1 c1cncc(c1)[*:1] O=S(=O)(/N=C(\[O-])COc1ccc2CCCc2c1)[*:1]
CC1=C(C(=O)OC2CCCC2)[C@@H](c2coc3ccccc3c2=O)C2=C([O-])CCCC2=N1 O=C(OC1CCCC1)[*:1] CC1N=C2CCCC([O-])=C2[C@@H](C=1[*:1])c1coc2ccccc2c1=O
CC1=C(C(=O)OC2CCCC2)[C@@H](c2coc3ccccc3c2=O)C2=C([O-])CCCC2=N1 C1CCC(C1)[*:1] CC1N=C2CCCC([O-])=C2[C@@H](C=1C(=O)O[*:1])c1coc2ccccc2c1=O
CC(C)[C@@H](C)S[C@H]1CCCN(c2cnn(C)c2)C1=O CC(C)[C@@H](C)[*:1] Cn1cc(cn1)N1CCC[C@H](S[*:1])C1=O
CC(C)[C@@H](C)S[C@H]1CCCN(c2cnn(C)c2)C1=O CC(C)[C@@H](C)S[*:1] Cn1cc(cn1)N1CCC[C@@H](C1=O)[*:1]
CC(C)[C@@H](C)S[C@H]1CCCN(c2cnn(C)c2)C1=O CC(C)[*:1] C[C@@H](S[C@H]1CCCN(C1=O)c1cnn(C)c1)[*:1]
CC(C)[C@@H](C)S[C@H]1CCCN(c2cnn(C)c2)C1=O Cn1cc(cn1)[*:1] CC(C)[C@@H](C)S[C@H]1CCCN(C1=O)[*:1]
S=c1sc(C2CC2)nn1CN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] S=c1sc(nn1CN1CCN(CC1)[*:1])C1CC1
S=c1sc(C2CC2)nn1CN1CCN(c2ccccc2)CC1 C1CC1[*:1] S=c1sc(nn1CN1CCN(CC1)c1ccccc1)[*:1]
CC(C)[C@@H](C)CC(=O)NCc1ccc([S@](C)=O)cc1 CC(C)[C@@H](C)[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)C[*:1]
CC(C)[C@@H](C)CC(=O)NCc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CC(C)[C@@H](C)CC(=O)NCc1ccc(cc1)[*:1]
CC(C)[C@@H](C)CC(=O)NCc1ccc([S@](C)=O)cc1 CC(C)[C@@H](C)C[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)[*:1]
CC(C)[C@@H](C)CC(=O)NCc1ccc([S@](C)=O)cc1 CC(C)[*:1] C[C@@H](CC(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
CCCn1c(=O)c2ccccc2n2c(SCc3nc(-c4cccs4)oc3C)nnc12 c1csc(c1)[*:1] CCCn1c(=O)c2ccccc2n2c(nnc12)SCc1nc(oc1C)[*:1]
CCCn1c(=O)c2ccccc2n2c(SCc3nc(-c4cccs4)oc3C)nnc12 CCC[*:1] Cc1oc(nc1CSc1nnc2n(c(=O)c3ccccc3n12)[*:1])-c1cccs1
Cc1[nH]n([C@H](C)C2CC2)c(=O)c1Br C1CC1[*:1] Cc1[nH]n(c(=O)c1Br)[C@H](C)[*:1]
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NC2CC2)c1 CC(C)[*:1] O=C(Nc1cc(ccc1Cl)C(=O)O[*:1])NC1CC1
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NC2CC2)c1 C1CC1[*:1] CC(C)OC(=O)c1ccc(Cl)c(c1)NC(=O)N[*:1]
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NC2CC2)c1 CC(C)OC(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])NC1CC1
c1ccc(OCc2nc(CNc3cnn(-c4ncccn4)c3)cs2)cc1 c1ccc(cc1)[*:1] c1cnc(nc1)-n1cc(cn1)NCc1csc(CO[*:1])n1
c1ccc(OCc2nc(CNc3cnn(-c4ncccn4)c3)cs2)cc1 c1ccc(cc1)OC[*:1] c1cnc(nc1)-n1cc(cn1)NCc1csc(n1)[*:1]
c1ccc(OCc2nc(CNc3cnn(-c4ncccn4)c3)cs2)cc1 c1ccc(cc1)O[*:1] c1cnc(nc1)-n1cc(cn1)NCc1csc(C[*:1])n1
c1ccc(OCc2nc(CNc3cnn(-c4ncccn4)c3)cs2)cc1 c1cnc(nc1)[*:1] c1ccc(cc1)OCc1nc(cs1)CNc1cnn(c1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N[C@@H](c2nccs2)C2CC2)C1 C1CC1[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N[C@@H](c1nccs1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N[C@@H](c2nccs2)C2CC2)C1 c1csc(n1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N[C@@H](C1CC1)[*:1]
CCN(CC)C(=O)[C@@H](C)S[C@H](C)c1nc(-c2cccs2)no1 c1csc(c1)[*:1] CCN(CC)C(=O)[C@@H](C)S[C@H](C)c1nc(no1)[*:1]
CCN(CC)C(=O)[C@@H](C)S[C@H](C)c1nc(-c2cccs2)no1 CCN(CC)C(=O)[*:1] C[C@@H](S[C@H](C)[*:1])c1nc(no1)-c1cccs1
COc1ccc(CC(=O)N(c2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1
COc1ccc(CC(=O)N(c2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N([C@H]1C=CS(=O)(=O)C1)[*:1]
CC(C)(C)C(=O)/C(C#N)=C/c1c[nH]c2ccccc12 CC(C)(C)C(=O)[*:1] N#CC(=Cc1c[nH]c2ccccc12)[*:1]
CC(C)(C)C(=O)/C(C#N)=C/c1c[nH]c2ccccc12 CC(C)(C)[*:1] N#C/C(=C\c1c[nH]c2ccccc12)C(=O)[*:1]
O=S(=O)([N-]c1ccc([C@H]2C=c3ccccc3=[NH+]2)cc1)c1ccccc1Cl Clc1ccccc1[*:1] O=S(=O)([N-]c1ccc(cc1)[C@H]1C=c2ccccc2=[NH+]1)[*:1]
COc1cccc(COCC(=O)N2CCC(C(N)=O)CC2)c1 NC(=O)[*:1] COc1cccc(c1)COCC(=O)N1CCC(CC1)[*:1]
Cc1sc2ncn(CCC(=O)N(C)[C@H](C)c3ccco3)c(=O)c2c1C c1coc(c1)[*:1] Cc1sc2ncn(CCC(=O)N(C)[C@H](C)[*:1])c(=O)c2c1C
CCS[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(SC)c(F)c2)C1 CCS[*:1] CSc1ccc(cc1F)NC(=O)C(=O)N[C@H]1CC[C@H](C1)[*:1]
CCOc1ccc(N[C@H](C)c2ccc(Br)s2)cn1 Brc1ccc(s1)[*:1] CCOc1ccc(cn1)N[C@H](C)[*:1]
CCOc1ccc(N[C@H](C)c2ccc(Br)s2)cn1 CCO[*:1] C[C@@H](Nc1ccc(nc1)[*:1])c1ccc(Br)s1
O=C1c2ccccc2C(=O)N1CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 c1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1CSc1nc2nn(c(=O)c-2c2CCCCCn12)[*:1]
O=C1c2ccccc2C(=O)N1CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 O=C1c2ccccc2C(=O)N1[*:1] O=c1c2-c(nc(SC[*:1])n3CCCCCc23)nn1-c1ccccc1
CCCc1nn(Cc2ccccc2)c(N)c1CCC CCC[*:1] CCCc1c(nn(Cc2ccccc2)c1N)[*:1]
CCCc1nn(Cc2ccccc2)c(N)c1CCC c1ccc(cc1)[*:1] CCCc1nn(C[*:1])c(N)c1CCC
CCCc1nn(Cc2ccccc2)c(N)c1CCC CCC[*:1] CCCc1nn(Cc2ccccc2)c(N)c1[*:1]
O=C(CCC1CCCC1)Nc1cc(F)ccc1F C1CCC(C1)[*:1] O=C(CC[*:1])Nc1cc(F)ccc1F
O=C(CCC1CCCC1)Nc1cc(F)ccc1F C1CCC(C1)C[*:1] O=C(C[*:1])Nc1cc(F)ccc1F
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] C/C(CC(=O)Nc1cccc(c1)C(F)(F)F)=N\NC(=O)c1ccc(c(Cl)c1)[*:1]
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])c1ccc(cc1Cl)[*:1] C/C(CC(=O)Nc1cccc(c1)C(F)(F)F)=N\NC(=O)[*:1]
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 FC(F)(F)[*:1] C/C(CC(=O)Nc1cccc(c1)[*:1])=N\NC(=O)c1ccc(c(Cl)c1)[N+](=O)[O-]
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 FC(F)(F)c1cccc(c1)[*:1] C/C(CC(=O)N[*:1])=N\NC(=O)c1ccc(c(Cl)c1)[N+](=O)[O-]
C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(c1)C(=O)N[*:1]
C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)Nc1cccc(c1)C(=O)NC(C)(C)C
C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)Nc1cccc(c1)C(=O)NC(C)(C)C
C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)Nc1cccc(c1)C(=O)NC(C)(C)C)[*:1]
C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)(C)NC(=O)[*:1] C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(c1)[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3nc(C4CC4)cs3)c2)C1 C1CC1[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc(cs1)[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3nc(C4CC4)cs3)c2)C1 c1sc(nc1C1CC1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
O=C1COC(=O)[C@@H]1[C@H](c1ccc2c(c1)OCO2)c1cc2c(cc1O)OCO2 c1cc2OCOc2cc1[*:1] O=C1COC(=O)[C@@H]1[C@H](c1cc2OCOc2cc1O)[*:1]
COC(=O)c1cc(-c2ccccc2)nc2nc(NC(C)=O)sc12 COC(=O)[*:1] CC(=O)Nc1nc2nc(cc(c2s1)[*:1])-c1ccccc1
COC(=O)c1cc(-c2ccccc2)nc2nc(NC(C)=O)sc12 CC(=O)N[*:1] COC(=O)c1cc(nc2nc(sc12)[*:1])-c1ccccc1
COC(=O)c1cc(-c2ccccc2)nc2nc(NC(C)=O)sc12 c1ccc(cc1)[*:1] COC(=O)c1cc(nc2nc(NC(C)=O)sc12)[*:1]
C[C@H](O)C1CCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)CC1 C[C@H](O)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC(CC1)[*:1]
C[C@H](O)C1CCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)CC1 CC(C)(C)[*:1] C[C@H](O)C1CCN(CC1)C(=O)C(=O)Nc1ccnn1[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)N[C@H]1C=CS(=O)(=O)C1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N[C@H]1C=CS(=O)(=O)C1)[*:1]
CC(=O)C1=C(C)C(c2csc(CN3C(=O)CNC3=O)n2)=N[C@H]1C O=C1CNC(=O)N1[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)c1csc(C[*:1])n1
CC(=O)C1=C(C)C(c2csc(CN3C(=O)CNC3=O)n2)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])c1csc(CN2C(=O)CNC2=O)n1
O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccc(-c2ccncc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccc(cc1)-c1ccncc1)[*:1]
O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccc(-c2ccncc2)cc1)c1ccccc1 c1cc(ccn1)[*:1] O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccc(cc1)[*:1])c1ccccc1
CC(C)(C)Oc1cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)ccn1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)ccn1 c1ccc(cc1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NC[C@@H]1CCO[C@@H]1[*:1]
CC(C)(C)Oc1cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)ccn1 CC(C)(C)O[*:1] O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccnc(c1)[*:1]
CC[C@H](NC(=O)N[C@@H](c1nccs1)C1CC1)c1nc2ccccc2[nH]1 C1CC1[*:1] CC[C@H](NC(=O)N[C@@H](c1nccs1)[*:1])c1nc2ccccc2[nH]1
CC[C@H](NC(=O)N[C@@H](c1nccs1)C1CC1)c1nc2ccccc2[nH]1 c1csc(n1)[*:1] CC[C@H](NC(=O)N[C@@H](C1CC1)[*:1])c1nc2ccccc2[nH]1
O=C(N/N=C/c1cccc(Cl)c1)c1ccc(CN2CCc3ccccc3C2)cc1 Clc1cccc(c1)[*:1] O=C(NN=C[*:1])c1ccc(cc1)CN1CCc2ccccc2C1
Cc1cccc(C)c1NC(=O)NCCNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)NCCNC(=O)[*:1]
Cc1cccc(C)c1NC(=O)NCCNC(=O)c1ccc(Cl)cc1 Cc1cccc(C)c1[*:1] O=C(NCCNC(=O)c1ccc(Cl)cc1)N[*:1]
CN(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 CN(C)[*:1] O=C(Nc1ccc(nc1)[*:1])C(=O)N1CC[C@H](C1)C[NH+]1CCCCC1
O=C1CN(C(=O)CCC(=O)Nc2ccccn2)CCN1 c1ccc(nc1)[*:1] O=C1CN(CCN1)C(=O)CCC(=O)N[*:1]
CCc1ccccc1OCC(C)(C)C[NH2+]C1CC1 C1CC1[*:1] CCc1ccccc1OCC(C)(C)C[NH2+][*:1]
Cc1cc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)c(F)cc1F CC(C)NC(=O)[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1cc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)c(F)cc1F CC(C)[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
CC[C@@H](Br)[C@H](C)c1cc(F)c(C)cc1F CC[C@@H](Br)[*:1] Cc1cc(F)c(cc1F)[C@@H](C)[*:1]
O=C(Nc1ccccc1N1CCCC1)[C@H]1SCCc2ccccc21 C1CCN(C1)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1SCCc2ccccc21
Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)CCCBr)[nH]c(=O)c1C BrCC[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)C[*:1])-c1ccco1
Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)CCCBr)[nH]c(=O)c1C O=C(CCCBr)N[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1[*:1])-c1ccco1
Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)CCCBr)[nH]c(=O)c1C c1coc(c1)[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)CCCBr)[*:1]
Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)CCCBr)[nH]c(=O)c1C BrCCC[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)[*:1])-c1ccco1
CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1)[NH+]1CCCCC1 c1ncc(cn1)[*:1] CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(cc1)[*:1])[NH+]1CCCCC1
CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1)[NH+]1CCCCC1 CC(C)[*:1] C[C@@H](NC(=O)[C@@H]([NH+]1CCCCC1)[*:1])c1ccc(cc1)-c1cncnc1
C[NH2+][C@H](C)c1ccn(CCC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] C[NH2+][C@H](C)c1ccn(c1)CCC[*:1]
C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)NC[*:1]
C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N[*:1]
COc1ccc(C(=O)N2CCC(OCc3ccccc3OC)CC2)cn1 COc1ccccc1[*:1] COc1ccc(cn1)C(=O)N1CCC(CC1)OC[*:1]
COc1ccc(C(=O)N2CCC(OCc3ccccc3OC)CC2)cn1 COc1ccc(cn1)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)[*:1]
CCc1nc([C@@H]2CCCN2Cc2nc(Cc3ccccc3)no2)no1 c1ccc(cc1)[*:1] CCc1nc(no1)[C@@H]1CCCN1Cc1nc(C[*:1])no1
CCc1nc([C@@H]2CCCN2Cc2nc(Cc3ccccc3)no2)no1 CCc1nc(no1)[*:1] c1ccc(cc1)Cc1noc(CN2CCC[C@H]2[*:1])n1
CCc1nc([C@@H]2CCCN2Cc2nc(Cc3ccccc3)no2)no1 c1ccc(cc1)C[*:1] CCc1nc(no1)[C@@H]1CCCN1Cc1nc(no1)[*:1]
CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCCCCC2)c1C CC(=O)[*:1] Cc1c(cc(-c2ccccc2)n1CC(=O)N1CCCCCC1)[*:1]
CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCCCCC2)c1C c1ccc(cc1)[*:1] CC(=O)c1cc(n(CC(=O)N2CCCCCC2)c1C)[*:1]
C[C@@H]1CCCN(C(=O)c2ccc(=O)n([C@H](C)C(=O)[O-])n2)C1 O=C([O-])[*:1] C[C@@H]1CCCN(C1)C(=O)c1ccc(=O)n(n1)[C@H](C)[*:1]
COC(=O)N1CCC[C@@H]([NH2+][C@@H](c2ccccc2C)C2CC2)C1 Cc1ccccc1[*:1] COC(=O)N1CCC[C@H](C1)[NH2+][C@@H](C1CC1)[*:1]
COC(=O)N1CCC[C@@H]([NH2+][C@@H](c2ccccc2C)C2CC2)C1 C1CC1[*:1] COC(=O)N1CCC[C@H](C1)[NH2+][C@@H](c1ccccc1C)[*:1]
CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(ccc1Cl)[*:1]
CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(N2CCCC2=O)ccc1Cl CN(C)C(=O)[*:1] O=C1CCCN1c1ccc(Cl)c(c1)C(=O)N1CCC[C@H]1[*:1]
NC(=O)[C@@H]1COCCN1CCOc1ccccc1Cl NC(=O)[*:1] Clc1ccccc1OCCN1CCOC[C@H]1[*:1]
CC(C)COC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 CC(C)[*:1] c1cc(cs1)-c1ncc(CN2CCC(CC2)OC[*:1])s1
CC(C)COC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 c1cc(cs1)[*:1] CC(C)COC1CCN(CC1)Cc1cnc(s1)[*:1]
CC(C)COC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 CC(C)CO[*:1] c1cc(cs1)-c1ncc(CN2CCC(CC2)[*:1])s1
CC(C)COC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 CC(C)C[*:1] c1cc(cs1)-c1ncc(CN2CCC(CC2)O[*:1])s1
CC(=O)C[C@H](C)C(=O)c1ccccc1C1CC1 CC(=O)C[*:1] C[C@H](C(=O)c1ccccc1C1CC1)[*:1]
CC(=O)C[C@H](C)C(=O)c1ccccc1C1CC1 C1CC1[*:1] CC(=O)C[C@H](C)C(=O)c1ccccc1[*:1]
CC(=O)C[C@H](C)C(=O)c1ccccc1C1CC1 CC(=O)[*:1] C[C@@H](C[*:1])C(=O)c1ccccc1C1CC1
O=C(N1CCN(c2ncccn2)CC1)C1(c2cc(-c3ccccc3)on2)CC1 c1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1ncccn1)C1(CC1)c1cc(on1)[*:1]
O=C(N1CCN(c2ncccn2)CC1)C1(c2cc(-c3ccccc3)on2)CC1 c1cnc(nc1)[*:1] O=C(N1CCN(CC1)[*:1])C1(CC1)c1cc(on1)-c1ccccc1
CC(C)Cc1ncc(CN2CCN[C@H](C(=O)N(C)C)C2)s1 CN(C)C(=O)[*:1] CC(C)Cc1ncc(CN2CCN[C@H](C2)[*:1])s1
CC(C)Cc1ncc(CN2CCN[C@H](C(=O)N(C)C)C2)s1 CC(C)[*:1] CN(C)C(=O)[C@@H]1CN(CCN1)Cc1cnc(C[*:1])s1
CC(C)Cc1ncc(CN2CCN[C@H](C(=O)N(C)C)C2)s1 CC(C)C[*:1] CN(C)C(=O)[C@@H]1CN(CCN1)Cc1cnc(s1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCN(c2ccc(C)cc2)C1=O CNC(=O)[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)N(C)C[C@@H](C)[*:1])C1=O
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCN(c2ccc(C)cc2)C1=O CNC(=O)[C@H](C)[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)N(C)C[*:1])C1=O
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCN(c2ccc(C)cc2)C1=O Cc1ccc(cc1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCN(C1=O)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCN(c2ccc(C)cc2)C1=O CNC(=O)[C@H](C)C[*:1] Cc1ccc(cc1)N1CC[C@@H](C1=O)C(=O)N(C)[*:1]
Cc1ccc2nc(NC(=O)/C=C/c3cccs3)sc2c1 c1csc(c1)[*:1] Cc1ccc2nc(NC(=O)C=C[*:1])sc2c1
CCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccccc3F)sc2n1 Fc1ccccc1[*:1] CCc1nc(C)c2c(C)c(sc2n1)C(=O)N(C)C[*:1]
CCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccccc3F)sc2n1 Fc1ccccc1C[*:1] CCc1nc(C)c2c(C)c(sc2n1)C(=O)N(C)[*:1]
C[C@@H](NC[C@H](O)c1ccncc1)c1cc(F)c(F)c(F)c1 c1cc(ccn1)[*:1] C[C@@H](NC[C@H](O)[*:1])c1cc(F)c(F)c(F)c1
O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)[C@H]1CCCO1 Clc1ccc(cc1)[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])[C@H]1CCCO1
O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)[C@H]1CCCO1 Clc1ccc(cc1)C[*:1] O=C(NCCc1nc2ccccc2n1[*:1])[C@H]1CCCO1
Cc1cnc([C@@H](NC(=O)NC[C@H]2CCCO2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)NC[C@H]1CCCO1)[*:1]
Cc1cnc([C@@H](NC(=O)NC[C@H]2CCCO2)C2CC2)s1 Cc1cnc(s1)[*:1] O=C(NC[C@H]1CCCO1)N[C@@H](C1CC1)[*:1]
Cc1cnc([C@@H](NC(=O)NC[C@H]2CCCO2)C2CC2)s1 C1CO[C@H](C1)[*:1] Cc1cnc(s1)[C@@H](NC(=O)NC[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)NC[C@H]2CCCO2)C2CC2)s1 C1CO[C@H](C1)C[*:1] Cc1cnc(s1)[C@@H](NC(=O)N[*:1])C1CC1
CCOc1ccc(F)c(C(=O)N2CCN(C)c3ccc(F)cc32)c1F CCO[*:1] CN1CCN(C(=O)c2c(F)ccc(c2F)[*:1])c2cc(F)ccc21
O=C(NCC[C@H](O)c1ccccc1)Nc1ccccc1N1CCCC1=O c1ccc(cc1)[*:1] O=C(NCC[C@H](O)[*:1])Nc1ccccc1N1CCCC1=O
O=C(NCC[C@H](O)c1ccccc1)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(NCC[C@H](O)c1ccccc1)Nc1ccccc1[*:1]
O=C(NCC[C@H](O)c1ccccc1)Nc1ccccc1N1CCCC1=O O[C@H](c1ccccc1)[*:1] O=C(NCC[*:1])Nc1ccccc1N1CCCC1=O
CCNC(=O)c1ccc(Cl)cc1N[C@H]1CCN(C)C1=O CCNC(=O)[*:1] CN1CC[C@H](Nc2cc(Cl)ccc2[*:1])C1=O
C[NH+]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C CC(C)[*:1] CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)[*:1]
O=C(N[C@@H]1C[C@H]2CCCc3cccc1c32)N1CC[NH+](C2CC2)CC1 C1CC1[*:1] O=C(N[C@@H]1C[C@H]2CCCc3cccc1c32)N1CC[NH+](CC1)[*:1]
COCc1ccc(CNC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1 COC[*:1] C[C@H]1CN(CC(=O)NCc2ccc(cc2)[*:1])C[C@@H](C)O1
C/[NH+]=C(/NCCc1ncc(C)s1)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 Cc1cnc(CC[*:1])s1 C/[NH+]=C(\N[C@@H]1C[C@@H](C)N(C1)c1ccccc1)N[*:1]
C/[NH+]=C(/NCCc1ncc(C)s1)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCCc1ncc(C)s1)N[C@@H]1C[C@@H](C)N(C1)[*:1]
C/[NH+]=C(/NCCc1ncc(C)s1)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 Cc1cnc(s1)[*:1] C/[NH+]=C(/NCC[*:1])N[C@@H]1C[C@@H](C)N(C1)c1ccccc1
C/[NH+]=C(/NCCc1ncc(C)s1)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 Cc1cnc(C[*:1])s1 C/[NH+]=C(/NC[*:1])N[C@@H]1C[C@@H](C)N(C1)c1ccccc1
COCCN(Cc1ccco1)C(=O)N[C@H]1CCCC[C@@H]1C c1coc(c1)[*:1] COCCN(C[*:1])C(=O)N[C@H]1CCCC[C@@H]1C
COCCN(Cc1ccco1)C(=O)N[C@H]1CCCC[C@@H]1C COCC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)N(Cc1ccco1)[*:1]
COCCN(Cc1ccco1)C(=O)N[C@H]1CCCC[C@@H]1C c1coc(c1)C[*:1] COCCN(C(=O)N[C@H]1CCCC[C@@H]1C)[*:1]
COCCN(Cc1ccco1)C(=O)N[C@H]1CCCC[C@@H]1C COC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)N(Cc1ccco1)C[*:1]
CCCOc1ccc(CO[C@H]2[C@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 CCC[*:1] CC1(C)OC[C@H](O1)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccc(cc1)O[*:1]
CCCOc1ccc(CO[C@H]2[C@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 CC1(C)OC[C@H](O1)[*:1] CCCOc1ccc(cc1)CO[C@H]1[C@H](O[C@H]2OC(C)(C)O[C@@H]21)[*:1]
CCCOc1ccc(CO[C@H]2[C@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 CCCO[*:1] CC1(C)OC[C@H](O1)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccc(cc1)[*:1]
CC1=c2ccccc2=[NH+]C(=O)[C@@H]1SC1=NN[C@H](C(C)C)N1C1CC1 C1CC1[*:1] CC1=c2ccccc2=[NH+]C(=O)[C@@H]1SC1=NN[C@H](C(C)C)N1[*:1]
CC1=c2ccccc2=[NH+]C(=O)[C@@H]1SC1=NN[C@H](C(C)C)N1C1CC1 CC(C)[*:1] CC1=c2ccccc2=[NH+]C(=O)[C@@H]1SC1=NN[C@H](N1C1CC1)[*:1]
COc1cccc(CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)CNC(=O)c1ccc(Br)c(c1)[*:1]
O=C(c1nc(C2CC2)n2ccccc12)N1CCOc2cccc(F)c21 C1CC1[*:1] O=C(c1nc(n2ccccc12)[*:1])N1CCOc2cccc(F)c21
Cc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])C1(CC1)S(=O)(=O)c1ccc(Cl)cc1
Cc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 Clc1ccc(cc1)[*:1] Cc1ccc(NC(=O)C2(CC2)S(=O)(=O)[*:1])c(Cl)c1
CC(C)Oc1ccc(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 CC(C)O[*:1] O=C(NCCc1ccc(cc1)[*:1])N[C@@H]1c2ccccc2C[C@@H]1O
CC(C)Oc1ccc(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 CC(C)[*:1] O=C(NCCc1ccc(cc1)O[*:1])N[C@@H]1c2ccccc2C[C@@H]1O
COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1Cl)[*:1]
CCOc1cccc(CN2CCC[C@@H](c3nccs3)C2)c1 CCO[*:1] c1cc(cc(c1)[*:1])CN1CCC[C@H](C1)c1nccs1
CCOc1cccc(CN2CCC[C@@H](c3nccs3)C2)c1 c1csc(n1)[*:1] CCOc1cccc(c1)CN1CCC[C@@H](C1)[*:1]
Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CN(C)C(=O)[*:1]
Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2)c1 Cc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccccc1
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 O=C([O-])[*:1] O=C(Nc1cccc(c1)-c1nnc(o1)-c1ccccc1)[C@@H]1CCCC[C@H]1[*:1]
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(c1)-c1nnc(o1)[*:1]
COc1ccc(N2C(=O)C[C@@H](C3=C([O-])CC(C)(C)CC3=O)C2=O)cc1 COc1ccc(cc1)[*:1] CC1(C)CC(=O)C(=C([O-])C1)[C@@H]1CC(=O)N(C1=O)[*:1]
CCOC(=O)C1=C(CSc2nc([O-])cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(CSc2nc([O-])cc(C)c2C#N)OC(N)=C(C#N)[C@H]1[*:1]
CCOC(=O)C1=C(CSc2nc([O-])cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1 CCOC(=O)[*:1] Cc1cc([O-])nc(SCC2OC(N)=C(C#N)[C@@H](C=2[*:1])c2ccccc2)c1C#N
CC(C)(C)NC(=O)CS/C(=N\c1ccc(F)cc1)[N-]C#N CC(C)(C)NC(=O)[*:1] N#C[N-]/C(=N/c1ccc(F)cc1)SC[*:1]
CC(C)(C)NC(=O)CS/C(=N\c1ccc(F)cc1)[N-]C#N CC(C)(C)[*:1] N#C[N-]/C(=N/c1ccc(F)cc1)SCC(=O)N[*:1]
CC(C)(C)NC(=O)CS/C(=N\c1ccc(F)cc1)[N-]C#N Fc1ccc(cc1)[*:1] CC(C)(C)NC(=O)CSC(=N[*:1])[N-]C#N
C[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)[C@H](C)CO1 c1ccc(cc1)[*:1] C[C@H]1CN(Cc2c[nH]nc2[*:1])[C@H](C)CO1
Cc1cc(SCC(=O)[O-])c2cc(I)ccc2n1 O=C([O-])C[*:1] Cc1cc(S[*:1])c2cc(I)ccc2n1
Cc1cc(SCC(=O)[O-])c2cc(I)ccc2n1 O=C([O-])[*:1] Cc1cc(SC[*:1])c2cc(I)ccc2n1
Cc1cc(SCC(=O)[O-])c2cc(I)ccc2n1 O=C([O-])CS[*:1] Cc1cc(c2cc(I)ccc2n1)[*:1]
CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2C[C@@]23CCc2ccccc23)cn1 CC(C)[*:1] C[C@@H]([NH2+]C[C@@H]1C[C@@]12CCc1ccccc12)c1cnn(c1)[*:1]
CC(C)Oc1cccnc1C(=O)N1CCCN(C)c2ccc(F)cc21 CC(C)[*:1] CN1CCCN(C(=O)c2ncccc2O[*:1])c2cc(F)ccc21
CC(C)Oc1cccnc1C(=O)N1CCCN(C)c2ccc(F)cc21 CC(C)O[*:1] CN1CCCN(C(=O)c2ncccc2[*:1])c2cc(F)ccc21
Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] Cc1cc(nc(n1)N1CCN(CC1)S(=O)(=O)[*:1])Nc1ccccc1
Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 c1ccc(cc1)N[*:1] Cc1cc(nc(n1)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)[*:1]
Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 c1ccc(cc1)[*:1] Cc1cc(nc(n1)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)N[*:1]
CCOC(=O)N1CCC(NC(=O)N(C)Cc2ccc(C(C)C)cc2)CC1 CC(C)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)N(C)Cc1ccc(cc1)[*:1]
COc1cc(OC)c(OC)cc1CN1C[C@@H]([NH3+])C[C@H]1C(=O)NC(C)C CC(C)[*:1] COc1cc(OC)c(cc1CN1C[C@@H]([NH3+])C[C@H]1C(=O)N[*:1])OC
COc1cc(OC)c(OC)cc1CN1C[C@@H]([NH3+])C[C@H]1C(=O)NC(C)C CC(C)NC(=O)[*:1] COc1cc(OC)c(cc1CN1C[C@@H]([NH3+])C[C@@H]1[*:1])OC
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)[C@H]1c1cccs1 CC(C)[*:1] CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[*:1])[C@H]1c1cccs1
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)[C@H]1c1cccs1 CC(C)NC(=O)[*:1] CC(C)CN1C(=O)c2ccccc2[C@H]([C@H]1c1cccs1)[*:1]
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)[C@H]1c1cccs1 CC(C)[*:1] CC(C)NC(=O)[C@H]1c2ccccc2C(=O)N(C[*:1])[C@@H]1c1cccs1
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)[C@H]1c1cccs1 CC(C)C[*:1] CC(C)NC(=O)[C@H]1c2ccccc2C(=O)N([C@@H]1c1cccs1)[*:1]
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)[C@H]1c1cccs1 c1csc(c1)[*:1] CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)[C@@H]1[*:1]
COC(=O)[C@@]1(NC2CC2)CC[C@@H](n2cc[nH+]c2C(C)C)C1 C1CC1N[*:1] COC(=O)[C@]1(CC[C@H](C1)n1cc[nH+]c1C(C)C)[*:1]
COC(=O)[C@@]1(NC2CC2)CC[C@@H](n2cc[nH+]c2C(C)C)C1 CC(C)[*:1] COC(=O)[C@]1(CC[C@H](C1)n1cc[nH+]c1[*:1])NC1CC1
COC(=O)[C@@]1(NC2CC2)CC[C@@H](n2cc[nH+]c2C(C)C)C1 C1CC1[*:1] COC(=O)[C@]1(CC[C@H](C1)n1cc[nH+]c1C(C)C)N[*:1]
COC(=O)[C@@]1(NC2CC2)CC[C@@H](n2cc[nH+]c2C(C)C)C1 COC(=O)[*:1] CC(C)c1[nH+]ccn1[C@@H]1CC[C@@](C1)(NC1CC1)[*:1]
Cc1ccccc1[C@@H](C#N)NC(=O)CCC(=O)c1ccc(Cl)s1 Cc1ccccc1[*:1] N#C[C@@H](NC(=O)CCC(=O)c1ccc(Cl)s1)[*:1]
Cc1ccccc1[C@@H](C#N)NC(=O)CCC(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1ccccc1[C@@H](C#N)NC(=O)CCC(=O)[*:1]
CSc1sc(C)cc1[C@H]1C(C(=O)Nc2c(F)cccc2F)=C(C)NC2=C1C(=O)CCC2 CSc1sc(C)cc1[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)Nc1c(F)cccc1F)[*:1]
CSc1sc(C)cc1[C@H]1C(C(=O)Nc2c(F)cccc2F)=C(C)NC2=C1C(=O)CCC2 Fc1cccc(F)c1[*:1] CSc1sc(C)cc1[C@H]1C(C(=O)N[*:1])=C(C)NC2CCCC(=O)C=21
C[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 O=[N+]([O-])[*:1] C[C@H]1CCN([C@H](C)C1)S(=O)(=O)c1ccccc1[*:1]
Cc1nc(SCC(=O)Nc2cc(Cl)ccc2F)c2ccccc2n1 Fc1ccc(Cl)cc1[*:1] Cc1nc(SCC(=O)N[*:1])c2ccccc2n1
COC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 FC(F)(F)[*:1] COC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CCCN(C1)C[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 COC(=O)C[*:1] O=C([C@H]1CCCN(C1)CC(F)(F)F)N1CCCC[C@@H]1[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] COC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CCCN(C1)[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 COC(=O)[*:1] O=C([C@H]1CCCN(C1)CC(F)(F)F)N1CCCC[C@@H]1C[*:1]
CNC(=O)COc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 CNC(=O)[*:1] Fc1ccc(C[NH2+]Cc2ccc(cc2)OC[*:1])c(F)c1
CNC(=O)COc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 CNC(=O)C[*:1] Fc1ccc(C[NH2+]Cc2ccc(cc2)O[*:1])c(F)c1
CNC(=O)COc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 CNC(=O)CO[*:1] Fc1ccc(C[NH2+]Cc2ccc(cc2)[*:1])c(F)c1
COc1ccc(CNc2ncnc(NCc3ccc(C)cc3)c2N)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CNc1ncnc(NC[*:1])c1N
COc1ccc(CNc2ncnc(NCc3ccc(C)cc3)c2N)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)CNc1ncnc(NC[*:1])c1N
COc1ccc(CNc2ncnc(NCc3ccc(C)cc3)c2N)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)CNc1ncnc(N[*:1])c1N
CSc1ccc(C(=O)CSc2ccncc2)cc1 c1cc(ccn1)[*:1] CSc1ccc(cc1)C(=O)CS[*:1]
CCOCCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 CCOCC[*:1] CN(C(=O)C(=O)Nc1cccc(c1)-c1[nH+]ccn1C)[*:1]
CCOCCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 CCO[*:1] CN(CC[*:1])C(=O)C(=O)Nc1cccc(c1)-c1[nH+]ccn1C
CCOCCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 CCOC[*:1] CN(C[*:1])C(=O)C(=O)Nc1cccc(c1)-c1[nH+]ccn1C
CC(=O)Nc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)C(=O)N(C)C[*:1]
CC(=O)Nc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1 CC(=O)N[*:1] CN(Cc1ccc(F)cc1)C(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 Fc1ccc(c(F)c1)[*:1] CC(C)NC(=O)C1(CCOCC1)Cc1cc(no1)[*:1]
CC(C)NC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 CC(C)[*:1] O=C(N[*:1])C1(CCOCC1)Cc1cc(no1)-c1ccc(F)cc1F
CC(C)NC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 CC(C)NC(=O)[*:1] Fc1ccc(-c2cc(CC3(CCOCC3)[*:1])on2)c(F)c1
Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCc3ccccc3F)CC2)c1 Fc1ccccc1[*:1] Cc1ccc(c(c1)C(=O)N1CCC(CC1)OC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCc3ccccc3F)CC2)c1 Fc1ccccc1CO[*:1] Cc1ccc(c(c1)C(=O)N1CCC(CC1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCc3ccccc3F)CC2)c1 Fc1ccccc1C[*:1] Cc1ccc(c(c1)C(=O)N1CCC(CC1)O[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCc3ccccc3F)CC2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)C(=O)N1CCC(CC1)OCc1ccccc1F)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cc12 c1coc(c1)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cc12 c1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)NC[C@H](c1ccco1)[NH+](C)C)[*:1]
CCOc1cc(C(=O)NC[C@@H](O)c2ccco2)ccc1OC c1coc(c1)[*:1] CCOc1cc(ccc1OC)C(=O)NC[C@@H](O)[*:1]
CCOc1cc(C(=O)NC[C@@H](O)c2ccco2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C(=O)NC[C@@H](O)c1ccco1
CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1)C[*:1]
CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)n(C)n1 CC(C)C[*:1] Cn1nc(cc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1)[*:1]
Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c(C)n1Cc1ccco1 c1coc(c1)[*:1] Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c(C)n1C[*:1]
Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c(C)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1nnc2CN(CCn12)C(=O)c1cc(C)n(c1C)[*:1]
[NH3+]CCOc1cccc2c1OCCO2 [NH3+]CCO[*:1] c1cc2OCCOc2c(c1)[*:1]
[NH3+]CCOc1cccc2c1OCCO2 [NH3+]CC[*:1] c1cc2OCCOc2c(c1)O[*:1]
Cc1cccnc1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 Cc1cccnc1[*:1] Clc1ccc(cc1)CN1CC[NH+](CC1)C[*:1]
Cc1cccnc1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1cccnc1C[NH+]1CCN(CC1)C[*:1]
CSC[C@H](C)N(C)C(=O)NCCC(F)(F)F CSC[C@H](C)[*:1] CN(C(=O)NCCC(F)(F)F)[*:1]
CSC[C@H](C)N(C)C(=O)NCCC(F)(F)F FC(F)(F)C[*:1] CSC[C@H](C)N(C)C(=O)NC[*:1]
CSC[C@H](C)N(C)C(=O)NCCC(F)(F)F CSC[*:1] C[C@H](N(C)C(=O)NCCC(F)(F)F)[*:1]
CSC[C@H](C)N(C)C(=O)NCCC(F)(F)F FC(F)(F)[*:1] CSC[C@H](C)N(C)C(=O)NCC[*:1]
Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(C)c(NC(=O)C3CC3)c2)c1 Cc1ccnc(c1)[*:1] Cc1ccc(cc1NC(=O)C1CC1)C(=O)N(C)[C@H](C)C[*:1]
Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(C)c(NC(=O)C3CC3)c2)c1 C1CC1[*:1] Cc1ccnc(c1)C[C@@H](C)N(C)C(=O)c1ccc(C)c(c1)NC(=O)[*:1]
Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(C)c(NC(=O)C3CC3)c2)c1 Cc1ccnc(c1)C[*:1] Cc1ccc(cc1NC(=O)C1CC1)C(=O)N(C)[C@H](C)[*:1]
Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(C)c(NC(=O)C3CC3)c2)c1 O=C(N[*:1])C1CC1 Cc1ccnc(c1)C[C@@H](C)N(C)C(=O)c1ccc(C)c(c1)[*:1]
C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccccc1F Fc1ccccc1[*:1] C[C@H](CNC(=O)c1ccc(N)c(c1)[N+](=O)[O-])O[*:1]
C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@H](CNC(=O)c1ccc(N)c(c1)[N+](=O)[O-])[*:1]
C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccccc1F O=[N+]([O-])[*:1] C[C@H](CNC(=O)c1ccc(N)c(c1)[*:1])Oc1ccccc1F
CCCC[C@H]1CCC[C@@H]1NC(=O)CS(=O)(=O)CC CCC[*:1] CCS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H]1C[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)CS(=O)(=O)CC CCS(=O)(=O)C[*:1] CCCC[C@H]1CCC[C@@H]1NC(=O)[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)CS(=O)(=O)CC CCS(=O)(=O)[*:1] CCCC[C@H]1CCC[C@@H]1NC(=O)C[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)CS(=O)(=O)CC CCCC[*:1] CCS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H]1[*:1]
COCCNC(=O)[C@@H](C)S(=O)(=O)c1ccccn1 c1ccc(nc1)[*:1] COCCNC(=O)[C@@H](C)S(=O)(=O)[*:1]
COCCNC(=O)[C@@H](C)S(=O)(=O)c1ccccn1 COC[*:1] C[C@H](C(=O)NC[*:1])S(=O)(=O)c1ccccn1
COCCNC(=O)[C@@H](C)S(=O)(=O)c1ccccn1 COCC[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)c1ccccn1
Cc1ccc(S(=O)(=O)CCCSCC(C)C)cc1 CC(C)CS[*:1] Cc1ccc(cc1)S(=O)(=O)CCC[*:1]
Cc1ccc(S(=O)(=O)CCCSCC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)CCCSC[*:1]
Cc1ccc(S(=O)(=O)CCCSCC(C)C)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)CCCS[*:1]
Cc1ccc(S(=O)(=O)CCCSCC(C)C)cc1 CC(C)CSC[*:1] Cc1ccc(cc1)S(=O)(=O)CC[*:1]
Cc1ccccc1[C@H]1CN(C(=O)NCc2cccc(OCC(F)F)n2)CCO1 FC(F)C[*:1] Cc1ccccc1[C@H]1CN(CCO1)C(=O)NCc1cccc(n1)O[*:1]
Cc1ccccc1[C@H]1CN(C(=O)NCc2cccc(OCC(F)F)n2)CCO1 FC(F)[*:1] Cc1ccccc1[C@H]1CN(CCO1)C(=O)NCc1cccc(n1)OC[*:1]
Cc1ccccc1[C@H]1CN(C(=O)NCc2cccc(OCC(F)F)n2)CCO1 Cc1ccccc1[*:1] O=C(NCc1cccc(n1)OCC(F)F)N1CCO[C@H](C1)[*:1]
Cc1ccccc1[C@H]1CN(C(=O)NCc2cccc(OCC(F)F)n2)CCO1 FC(F)CO[*:1] Cc1ccccc1[C@H]1CN(CCO1)C(=O)NCc1cccc(n1)[*:1]
O=C([O-])[C@H]1CC1(c1ccccc1)c1ccccc1 O=C([O-])[*:1] c1ccc(cc1)C1(C[C@@H]1[*:1])c1ccccc1
O=C([O-])[C@H]1CC1(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H]1CC1(c1ccccc1)[*:1]
CC(=O)Nc1cccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1C c1ccc(cc1)C[*:1] CC(=O)Nc1cccc(NC(=O)NC[C@H]([NH+](C)C)[*:1])c1C
CC(=O)Nc1cccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C
CC(=O)Nc1cccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1C c1ccc(cc1)[*:1] CC(=O)Nc1cccc(NC(=O)NC[C@H](C[*:1])[NH+](C)C)c1C
CO/C([O-])=C1/C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@@H]2[C@H]1c1cccs1 CC(C)C[*:1] CO/C([O-])=C1/C(C)=NC2=NC(=NC(=O)[C@@H]2[C@H]1c1cccs1)S[*:1]
CO/C([O-])=C1/C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@@H]2[C@H]1c1cccs1 c1csc(c1)[*:1] CO/C([O-])=C1/C(C)=NC2=NC(=NC(=O)[C@@H]2[C@@H]1[*:1])SCC(C)C
CO/C([O-])=C1/C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@@H]2[C@H]1c1cccs1 CC(C)[*:1] CO/C([O-])=C1/C(C)=NC2=NC(=NC(=O)[C@@H]2[C@H]1c1cccs1)SC[*:1]
Cc1ccc(N2C(=O)/C(=C\c3[nH]cnc3C)N(C)C2=S)c([N+](=O)[O-])c1 Cc1nc[nH]c1[*:1] Cc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C(=C[*:1])N(C)C1=S
Cc1ccc(N2C(=O)/C(=C\c3[nH]cnc3C)N(C)C2=S)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)[*:1])N1C(=O)/C(=C\c2[nH]cnc2C)N(C)C1=S
CCC(C(N)=O)(C(N)=O)c1ccc(C)cc1 NC(=O)[*:1] CCC(C(N)=O)(c1ccc(C)cc1)[*:1]
CCNc1cc[nH+]c(COc2ccc(C)cc2Br)c1 CCN[*:1] Cc1ccc(OCc2cc(cc[nH+]2)[*:1])c(Br)c1
Cc1cccc2c1ncn1c(=O)n(CC(=O)Nc3cccc(Cl)c3)nc21 Clc1cccc(c1)[*:1] Cc1cccc2c1ncn1c(=O)n(CC(=O)N[*:1])nc21
Cc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)NCC(C)C)cc1 CC(C)C[*:1] Cc1ccc(cc1)[C@H]1CN(C[C@H]1C(=O)N[*:1])C(=O)c1ccc(F)cc1
Cc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)NCC(C)C)cc1 CC(C)CNC(=O)[*:1] Cc1ccc(cc1)[C@H]1CN(C[C@@H]1[*:1])C(=O)c1ccc(F)cc1
Cc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)NCC(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)CNC(=O)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1ccc(F)cc1
Cc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)NCC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@H]1CN(C[C@H]1C(=O)NC[*:1])C(=O)c1ccc(F)cc1
Cc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)NCC(C)C)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1CN(C[C@H]1C(=O)NCC(C)C)C(=O)[*:1]
Nc1nc(SCc2c(C(=O)[O-])sc3cccc(F)c23)n[nH]1 O=C([O-])[*:1] Nc1nc(n[nH]1)SCc1c(sc2cccc(F)c12)[*:1]
Nc1nc(SCc2c(C(=O)[O-])sc3cccc(F)c23)n[nH]1 Nc1nc(n[nH]1)S[*:1] O=C([O-])c1sc2cccc(F)c2c1C[*:1]
Nc1nc(SCc2c(C(=O)[O-])sc3cccc(F)c23)n[nH]1 Nc1nc(n[nH]1)[*:1] O=C([O-])c1sc2cccc(F)c2c1CS[*:1]
C#Cc1cc(F)c(NC(=O)N2CCC[C@@H]2c2ccccc2OC)c(F)c1 COc1ccccc1[*:1] C#Cc1cc(F)c(NC(=O)N2CCC[C@H]2[*:1])c(F)c1
COc1cc(C(=O)OCC(F)(F)F)c([N+](=O)[O-])cc1OC FC(F)(F)[*:1] COc1cc(C(=O)OC[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)OCC(F)(F)F)c([N+](=O)[O-])cc1OC FC(F)(F)C[*:1] COc1cc(C(=O)O[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)OCC(F)(F)F)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)OCC(F)(F)F)c(cc1OC)[*:1]
C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[NH+](Cc2cccc3ccccc23)CC1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@H](C(=O)N[*:1])N1CC[NH+](CC1)Cc1cccc2ccccc12
CCC[NH2+]CC/C=C(/C)C1CCCCC1 CCC[*:1] C/C(=C/CC[NH2+][*:1])C1CCCCC1
CC(C)N1C(N)=[NH+]CC12C[C@H](C)C[C@@H](C)C2 CC(C)[*:1] C[C@@H]1C[C@@H](C)CC2(C[NH+]=C(N)N2[*:1])C1
COC(=O)N[C@H](C(=O)Nc1ccnc(-c2ccccc2)n1)C(C)C c1ccc(cc1)[*:1] COC(=O)N[C@H](C(=O)Nc1ccnc(n1)[*:1])C(C)C
COC(=O)N[C@H](C(=O)Nc1ccnc(-c2ccccc2)n1)C(C)C CC(C)[*:1] COC(=O)N[C@H](C(=O)Nc1ccnc(n1)-c1ccccc1)[*:1]
COC(=O)N[C@H](C(=O)Nc1ccnc(-c2ccccc2)n1)C(C)C COC(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1ccnc(n1)-c1ccccc1)[*:1]
Cn1cc(/C=C/C(=O)NNC(=O)c2cn[nH]n2)c2ccccc21 c1n[nH]nc1[*:1] Cn1cc(/C=C/C(=O)NNC(=O)[*:1])c2ccccc21
COc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3ccccc32)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)-[n+]1c(cn2ccccc21)[*:1]
COc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3ccccc32)cc1 COc1ccc(cc1)[*:1] Brc1ccc(cc1)-c1cn2ccccc2[n+]1[*:1]
C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc(O)cc1 C[C@H](O)C[*:1] O=C(c1ccc(O)cc1)N1CCC[C@@H]1[*:1]
C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc(O)cc1 C[C@H](O)[*:1] O=C(c1ccc(O)cc1)N1CCC[C@@H]1C[*:1]
Cc1ccc(O)c(C(=O)c2cnc3onc(-c4ccc(F)cc4)c3c2)c1 Cc1ccc(O)c(c1)[*:1] O=C(c1cnc2onc(-c3ccc(F)cc3)c2c1)[*:1]
Cc1ccc(O)c(C(=O)c2cnc3onc(-c4ccc(F)cc4)c3c2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(O)c(c1)C(=O)c1cnc2onc(c2c1)[*:1]
O=C(CCn1ccnc1)N[C@H]1C=C[C@@H](C(=O)[O-])C1 c1cn(cn1)[*:1] O=C(CC[*:1])N[C@H]1C=C[C@H](C1)C(=O)[O-]
O=C(CCn1ccnc1)N[C@H]1C=C[C@@H](C(=O)[O-])C1 c1cn(cn1)C[*:1] O=C(C[*:1])N[C@H]1C=C[C@H](C1)C(=O)[O-]
O=C(CCn1ccnc1)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(CCn1ccnc1)N[C@H]1C=C[C@@H](C1)[*:1]
O=C(NC[C@H](O)c1ccc(Cl)cc1)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] O=C(NC[C@H](O)c1ccc(Cl)cc1)N[*:1]
O=C(NC[C@H](O)c1ccc(Cl)cc1)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(NC[C@H](O)c1ccc(Cl)cc1)NC(C1CC1)[*:1]
O=C(NC[C@H](O)c1ccc(Cl)cc1)NC(C1CC1)C1CC1 Clc1ccc(cc1)[*:1] O=C(NC[C@H](O)[*:1])NC(C1CC1)C1CC1
Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c1nn(Cc3c(F)cccc3Cl)c(=O)n21 Fc1ccc(cc1)[*:1] Cn1cc2c(n1)c(=O)n(C[*:1])c1nn(Cc3c(F)cccc3Cl)c(=O)n21
Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c1nn(Cc3c(F)cccc3Cl)c(=O)n21 Fc1cccc(Cl)c1[*:1] Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c1nn(C[*:1])c(=O)n21
Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c1nn(Cc3c(F)cccc3Cl)c(=O)n21 Fc1cccc(Cl)c1C[*:1] Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c1nn(c(=O)n21)[*:1]
Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c1nn(Cc3c(F)cccc3Cl)c(=O)n21 Fc1ccc(cc1)C[*:1] Cn1cc2c(n1)c(=O)n(c1nn(Cc3c(F)cccc3Cl)c(=O)n21)[*:1]
O=C(CSc1ncnc2sccc12)N(Cc1ccco1)C1=CCCCC1 c1coc(c1)[*:1] O=C(CSc1ncnc2sccc12)N(C[*:1])C1=CCCCC1
O=C(CSc1ncnc2sccc12)N(Cc1ccco1)C1=CCCCC1 c1coc(c1)C[*:1] O=C(CSc1ncnc2sccc12)N(C1=CCCCC1)[*:1]
CC(C)(C)n1cc(C(=O)OC[C@H](C#N)Cc2ccccc2)cn1 c1ccc(cc1)[*:1] CC(C)(C)n1cc(cn1)C(=O)OC[C@H](C#N)C[*:1]
CC(C)(C)n1cc(C(=O)OC[C@H](C#N)Cc2ccccc2)cn1 CC(C)(C)[*:1] N#C[C@@H](COC(=O)c1cnn(c1)[*:1])Cc1ccccc1
CC(C)(C)n1cc(C(=O)OC[C@H](C#N)Cc2ccccc2)cn1 c1ccc(cc1)C[*:1] CC(C)(C)n1cc(cn1)C(=O)OC[C@H](C#N)[*:1]
C=CCNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 Cc1ccc(cc1)[*:1] C=CCNC(=O)c1cn(nc1-c1ccccc1)[*:1]
C=CCNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 C=CC[*:1] Cc1ccc(cc1)-n1cc(C(=O)N[*:1])c(n1)-c1ccccc1
C=CCNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 C=CCNC(=O)[*:1] Cc1ccc(cc1)-n1cc(c(n1)-c1ccccc1)[*:1]
C=CCNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] C=CCNC(=O)c1cn(nc1[*:1])-c1ccc(C)cc1
CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2oc(=O)[nH]c2c1 CCS(=O)(=O)[*:1] O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1[*:1]
Cc1csc(N)[n+]1CC(=O)c1ccco1 c1coc(c1)[*:1] Cc1csc(N)[n+]1CC(=O)[*:1]
CCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(-c2ccccc2)n1 Fc1ccc(cc1)C[*:1] CCc1cc(=O)n(CC(=O)N[*:1])c(n1)-c1ccccc1
CCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(n1)[*:1]
CCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(-c2ccccc2)n1 Fc1ccc(cc1)[*:1] CCc1cc(=O)n(CC(=O)NC[*:1])c(n1)-c1ccccc1
CCOc1cccc(CNC(=O)[C@H]2CC[C@H](C[NH3+])O2)c1 CCO[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)NCc1cccc(c1)[*:1]
CSCCCNC(=O)C(=O)Nc1ccc(SC)c(F)c1 CSC[*:1] CSc1ccc(cc1F)NC(=O)C(=O)NCC[*:1]
CSCCCNC(=O)C(=O)Nc1ccc(SC)c(F)c1 CSCCC[*:1] CSc1ccc(cc1F)NC(=O)C(=O)N[*:1]
CSCCCNC(=O)C(=O)Nc1ccc(SC)c(F)c1 CSCC[*:1] CSc1ccc(cc1F)NC(=O)C(=O)NC[*:1]
Cc1nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CC(=O)N2Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] Cc1nc(nc2c1CC(=O)N2[*:1])[C@@H]1CCCCN1C(=O)c1cnn(C)c1
Cc1nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CC(=O)N2Cc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nc(nc2c1CC(=O)N2C[*:1])[C@@H]1CCCCN1C(=O)c1cnn(C)c1
Cc1nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CC(=O)N2Cc1cccc(F)c1 Cn1cc(cn1)[*:1] Cc1nc(nc2c1CC(=O)N2Cc1cccc(F)c1)[C@@H]1CCCCN1C(=O)[*:1]
NC(=O)[C@]1(N)CC[C@@H]([NH+]2CCCCCCC2)C1 NC(=O)[*:1] N[C@@]1(CC[C@H](C1)[NH+]1CCCCCCC1)[*:1]
C[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](N[C@@H]1CCN(C1=O)C1CCCCC1)c1cccc(c1)[*:1]
C[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 C1CCC(CC1)[*:1] C[C@H](N[C@@H]1CCN(C1=O)[*:1])c1cccc(c1)[N+](=O)[O-]
CCc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2cnn(C)c2n1 c1ccc(cc1)OC[*:1] CCc1nc(c2cnn(C)c2n1)N1CCN(CC1)C(=O)[*:1]
CCc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2cnn(C)c2n1 c1ccc(cc1)[*:1] CCc1nc(c2cnn(C)c2n1)N1CCN(CC1)C(=O)CO[*:1]
CCc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2cnn(C)c2n1 c1ccc(cc1)O[*:1] CCc1nc(c2cnn(C)c2n1)N1CCN(CC1)C(=O)C[*:1]
O=C(Nc1ccccc1O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O Oc1ccccc1[*:1] O=C(N[*:1])c1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1
Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C)c1 Cc1cccc(c1)[*:1] Cn1c(nnc1-c1ccco1)SCC(=O)N[*:1]
Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C)c1 c1coc(c1)[*:1] Cc1cccc(c1)NC(=O)CSc1nnc(n1C)[*:1]
CN(c1ccccc1)C1CCN(C(=O)C[C@H]2C=CCC2)CC1 c1ccc(cc1)[*:1] CN(C1CCN(CC1)C(=O)C[C@H]1C=CCC1)[*:1]
COc1cc(CC(C)=O)cc(OC)c1 CC(=O)[*:1] COc1cc(cc(c1)OC)C[*:1]
COc1cc(CC(C)=O)cc(OC)c1 CC(=O)C[*:1] COc1cc(cc(c1)[*:1])OC
NC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 NC(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
NC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(Cl)c(c1)NC(=O)c1cc(ccc1Cl)[*:1]
O=C(N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-])c1ccc(N2CCCCC2=O)cc1 O=C1CCCCN1[*:1] O=C(N[C@@H](CC1C[NH+]=c2ccccc2=1)C(=O)[O-])c1ccc(cc1)[*:1]
O=C(N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-])c1ccc(N2CCCCC2=O)cc1 O=C([O-])[*:1] O=C(N[C@@H](CC1C[NH+]=c2ccccc2=1)[*:1])c1ccc(cc1)N1CCCCC1=O
C[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccc(F)cc1Cl Fc1ccc(cc1F)[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1ccc(F)cc1Cl
C[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)[*:1]
CSc1nnc(C)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 Clc1ccc(cc1Cl)[*:1] CSc1nnc(C)n1/N=C/c1ccc(CO[*:1])o1
COCCn1nc(C)c(NC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)N[C@@H](C)[C@@H]1COc2ccccc21
COCCn1nc(C)c(NC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)N[C@@H](C)[C@@H]1COc2ccccc21)[*:1]
COC(=O)[C@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccc(F)c(F)c1 c1ccc(cc1)C[*:1] COC(=O)[C@H](NC(=O)C1(CC1)[*:1])c1ccc(F)c(F)c1
COC(=O)[C@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccc(F)c(F)c1 COC(=O)[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)[*:1])C1(CC1)Cc1ccccc1
COC(=O)[C@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccc(F)c(F)c1 c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)C1(CC1)C[*:1])c1ccc(F)c(F)c1
COC(=O)[C@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC(=O)[C@H](NC(=O)C1(CC1)Cc1ccccc1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H]([C@@H]2CCCCCC2=O)C1 CS(=O)(=O)[*:1] O=C1CCCCC[C@H]1[C@@H]1CCC[C@@H](C1)[*:1]
CC(C)(C)c1nnc(NC(=O)NCc2cn(-c3ccccc3)nn2)s1 c1ccc(cc1)[*:1] CC(C)(C)c1nnc(NC(=O)NCc2cn(nn2)[*:1])s1
CC(C)(C)c1nnc(NC(=O)NCc2cn(-c3ccccc3)nn2)s1 CC(C)(C)[*:1] O=C(NCc1cn(nn1)-c1ccccc1)Nc1nnc(s1)[*:1]
C[C@H](NC(=O)COn1nnc2ccc(Cl)cc21)c1ccco1 C[C@H](c1ccco1)[*:1] O=C(COn1nnc2ccc(Cl)cc21)N[*:1]
C[C@H](NC(=O)COn1nnc2ccc(Cl)cc21)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)COn1nnc2ccc(Cl)cc21)[*:1]
CN(Cc1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] CN(Cc1ccc2OCCOc2c1)c1ccc(cn1)[*:1]
Cc1ccc(NC(=O)C[n+]2ccc(Cc3ccccc3)cc2)cc1Cl c1ccc(cc1)C[*:1] Cc1ccc(cc1Cl)NC(=O)C[n+]1ccc(cc1)[*:1]
Cc1ccc(NC(=O)C[n+]2ccc(Cc3ccccc3)cc2)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)C[n+]1ccc(cc1)C[*:1]
Cc1ccc(NC(=O)C[n+]2ccc(Cc3ccccc3)cc2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(C[n+]1ccc(cc1)Cc1ccccc1)N[*:1]
CC(C)c1[nH+]ccn1CCN1CCN(CC(=O)Nc2cccc(Cl)c2)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)CCn1cc[nH+]c1[*:1])Nc1cccc(Cl)c1
CC(C)c1[nH+]ccn1CCN1CCN(CC(=O)Nc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC(C)c1[nH+]ccn1CCN1CCN(CC1)CC(=O)N[*:1]
COCC(=O)N1CCCN(Cc2cnc(-c3ccccn3)nc2)CC1 c1ccc(nc1)[*:1] COCC(=O)N1CCCN(CC1)Cc1cnc(nc1)[*:1]
COCC(=O)N1CCCN(Cc2cnc(-c3ccccn3)nc2)CC1 COC[*:1] O=C(N1CCCN(CC1)Cc1cnc(nc1)-c1ccccn1)[*:1]
C=CCNC(=O)c1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1 C=CCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2[nH]cnc2c1
C=CCNC(=O)c1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1 C=CC[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccc2[nH]cnc2c1
Cc1cc(NCC(=O)N(C)C2CCC(C)CC2)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])NCC(=O)N(C)C1CCC(C)CC1
Cc1cc(NCC(=O)N(C)C2CCC(C)CC2)ccc1-n1cnnn1 CC1CCC(CC1)[*:1] Cc1cc(ccc1-n1cnnn1)NCC(=O)N(C)[*:1]
CC(C)c1nn(C)c2c1[C@@H](c1ccc(Sc3nncn3C)o1)CC(=O)N2 CC(C)[*:1] Cn1cnnc1Sc1ccc(o1)[C@H]1CC(=O)Nc2c1c(nn2C)[*:1]
CC(C)c1nn(C)c2c1[C@@H](c1ccc(Sc3nncn3C)o1)CC(=O)N2 Cn1cnnc1[*:1] CC(C)c1nn(C)c2NC(=O)C[C@H](c3ccc(o3)S[*:1])c12
CC(C)c1nn(C)c2c1[C@@H](c1ccc(Sc3nncn3C)o1)CC(=O)N2 Cn1cnnc1S[*:1] CC(C)c1nn(C)c2NC(=O)C[C@H](c3ccc(o3)[*:1])c12
Brc1cnc(NCc2cccc(Cn3ccnc3)c2)nc1 c1cn(cn1)[*:1] Brc1cnc(nc1)NCc1cccc(c1)C[*:1]
Brc1cnc(NCc2cccc(Cn3ccnc3)c2)nc1 Brc1cnc(nc1)[*:1] c1cc(cc(c1)Cn1ccnc1)CN[*:1]
Brc1cnc(NCc2cccc(Cn3ccnc3)c2)nc1 c1cn(cn1)C[*:1] Brc1cnc(nc1)NCc1cccc(c1)[*:1]
COC(=O)CNC(=O)c1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 COC(=O)CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1C2CC3CC(C2)CC1C3
COC(=O)CNC(=O)c1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 COC(=O)[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)C1C2CC3CC(C2)CC1C3
COC(=O)CNC(=O)c1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 COC(=O)C[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)C1C2CC3CC(C2)CC1C3
CCCc1cc(NC(=O)c2ccccc2S(C)(=O)=O)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)c1ccccc1S(C)(=O)=O)[*:1]
CCCc1cc(NC(=O)c2ccccc2S(C)(=O)=O)n(C)n1 CS(=O)(=O)[*:1] CCCc1cc(NC(=O)c2ccccc2[*:1])n(C)n1
NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O NC(=O)C[*:1] O=c1c2c(csc2ncn1C[*:1])-c1ccc(F)cc1
NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O NC(=O)[*:1] O=c1c2c(csc2ncn1CC[*:1])-c1ccc(F)cc1
NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O NC(=O)CC[*:1] O=c1c2c(csc2ncn1[*:1])-c1ccc(F)cc1
NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O Fc1ccc(cc1)[*:1] NC(=O)CCn1cnc2scc(c2c1=O)[*:1]
CCCc1nnc(NC(=O)c2ccc(F)c(S(=O)(=O)NC)c2)s1 CNS(=O)(=O)[*:1] CCCc1nnc(NC(=O)c2ccc(F)c(c2)[*:1])s1
CCCc1nnc(NC(=O)c2ccc(F)c(S(=O)(=O)NC)c2)s1 CCC[*:1] CNS(=O)(=O)c1cc(ccc1F)C(=O)Nc1nnc(s1)[*:1]
COc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c(OC)c1 O=C([O-])[*:1] COc1ccc(NC(=O)NCc2ccc(cc2)[*:1])c(c1)OC
C[C@H]([NH2+][C@H](C)Cc1ccsc1)[C@H](O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)Cc1ccsc1)[C@H](O)C[*:1]
C[C@H]([NH2+][C@H](C)Cc1ccsc1)[C@H](O)Cc1ccccc1 c1cc(cs1)[*:1] C[C@H]([NH2+][C@H](C)C[*:1])[C@H](O)Cc1ccccc1
C[C@H]([NH2+][C@H](C)Cc1ccsc1)[C@H](O)Cc1ccccc1 c1cc(cs1)C[*:1] C[C@H]([NH2+][C@H](C)[*:1])[C@H](O)Cc1ccccc1
O[C@@]1(c2cc(Br)ccc2F)CCC[C@@H](C2CC2)C1 C1CC1[*:1] O[C@]1(CCC[C@@H](C1)[*:1])c1cc(Br)ccc1F
CC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(F)cc1N CC[C@@H](C)[*:1] C[C@H](Sc1ccc(F)cc1N)C(=O)N[*:1]
O=C(CNC(=O)c1ccoc1)NC[C@H]1CN2CCCC[C@@H]2CO1 c1cc(co1)[*:1] O=C(CNC(=O)[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
Fc1cccc(F)c1CN(Cc1cnc2ncccn12)C1CCCC1 Fc1cccc(F)c1[*:1] c1cnc2ncc(CN(C[*:1])C3CCCC3)n2c1
Fc1cccc(F)c1CN(Cc1cnc2ncccn12)C1CCCC1 C1CCC(C1)[*:1] Fc1cccc(F)c1CN(Cc1cnc2ncccn12)[*:1]
Cc1cccc(-c2cc(Nc3cccc(C(=O)NC(C)C)c3)ncn2)c1 CC(C)[*:1] Cc1cccc(c1)-c1cc(ncn1)Nc1cccc(c1)C(=O)N[*:1]
Cc1cccc(-c2cc(Nc3cccc(C(=O)NC(C)C)c3)ncn2)c1 CC(C)NC(=O)[*:1] Cc1cccc(c1)-c1cc(ncn1)Nc1cccc(c1)[*:1]
Cc1cccc(-c2cc(Nc3cccc(C(=O)NC(C)C)c3)ncn2)c1 Cc1cccc(c1)[*:1] CC(C)NC(=O)c1cccc(c1)Nc1cc(ncn1)[*:1]
O=C(NCC#Cc1ccccc1)NC[C@@H]1C[C@@]12CCc1ccccc12 c1ccc(cc1)[*:1] O=C(NCC#C[*:1])NC[C@@H]1C[C@@]12CCc1ccccc12
O=C(NCC#Cc1ccccc1)NC[C@@H]1C[C@@]12CCc1ccccc12 C(#C[*:1])c1ccccc1 O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)NC[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] O=C(CCC(=O)N1CCC(=N1)c1ccccc1)Nc1ccc(cc1)S[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(SC(F)F)cc1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(=N1)[*:1])Nc1ccc(cc1)SC(F)F
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] O=C(CCC(=O)N1CCC(=N1)c1ccccc1)Nc1ccc(cc1)[*:1]
Cc1ccc(OCc2nc(C(=O)Nc3cc(C)ccn3)cs2)cc1 Cc1ccnc(c1)[*:1] Cc1ccc(cc1)OCc1nc(cs1)C(=O)N[*:1]
Cc1ccc(OCc2nc(C(=O)Nc3cc(C)ccn3)cs2)cc1 Cc1ccc(cc1)[*:1] Cc1ccnc(c1)NC(=O)c1csc(CO[*:1])n1
Cc1ccc(OCc2nc(C(=O)Nc3cc(C)ccn3)cs2)cc1 Cc1ccc(cc1)O[*:1] Cc1ccnc(c1)NC(=O)c1csc(C[*:1])n1
COc1ccccc1-n1cc(CN2CCC[C@@H](c3ncncc3-c3ccc(C)cc3)C2)cn1 COc1ccccc1[*:1] Cc1ccc(cc1)-c1cncnc1[C@@H]1CCCN(Cc2cnn(c2)[*:1])C1
COc1ccccc1-n1cc(CN2CCC[C@@H](c3ncncc3-c3ccc(C)cc3)C2)cn1 Cc1ccc(cc1)[*:1] COc1ccccc1-n1cc(cn1)CN1CCC[C@H](C1)c1ncncc1[*:1]
Cc1cc(I)ccc1[C@H]([NH3+])C(=O)[O-] O=C([O-])[*:1] Cc1cc(I)ccc1[C@H]([NH3+])[*:1]
Cc1ccc(OCC(=O)N/N=C\c2ccccn2)c(C)c1 c1ccc(nc1)[*:1] Cc1ccc(OCC(=O)NN=C[*:1])c(C)c1
Cc1ccc(C(=O)NNc2ncnc(N3CCC[C@H](C)C3)c2N)cc1 C[C@H]1CCCN(C1)[*:1] Cc1ccc(cc1)C(=O)NNc1ncnc(c1N)[*:1]
Cc1ccc(C(=O)NNc2ncnc(N3CCC[C@H](C)C3)c2N)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCCN(C1)c1ncnc(NNC(=O)[*:1])c1N
Cc1cnc(C(=O)NCc2cnn(Cc3ccccc3)c2)cn1 c1ccc(cc1)C[*:1] Cc1cnc(cn1)C(=O)NCc1cnn(c1)[*:1]
Cc1cnc(C(=O)NCc2cnn(Cc3ccccc3)c2)cn1 Cc1cnc(cn1)[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)[*:1]
Cc1cnc(C(=O)NCc2cnn(Cc3ccccc3)c2)cn1 c1ccc(cc1)[*:1] Cc1cnc(cn1)C(=O)NCc1cnn(c1)C[*:1]
O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)c1ccccc1Br Brc1ccccc1[*:1] O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)[*:1]
CCOc1ccccc1Oc1coc2cc(OCC(=O)N3C[C@@H](C)O[C@H](C)C3)ccc2c1=O CCOc1ccccc1[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)COc1ccc2c(=O)c(coc2c1)O[*:1]
CCOc1ccccc1Oc1coc2cc(OCC(=O)N3C[C@@H](C)O[C@H](C)C3)ccc2c1=O CCOc1ccccc1O[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)COc1ccc2c(=O)c(coc2c1)[*:1]
CCOc1ccccc1Oc1coc2cc(OCC(=O)N3C[C@@H](C)O[C@H](C)C3)ccc2c1=O CCO[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)COc1ccc2c(=O)c(coc2c1)Oc1ccccc1[*:1]
Cc1nn(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)Nc2nc(cs2)C[NH+]2CCCCC2)c(C)c1[*:1]
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 C1CCC(CC1)[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)OC[*:1]
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 C1CCC(CC1)C[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 C1CCC(CC1)CO[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccn(Cc3cccc(Cl)c3)n2)c1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1ccn(Cc2cccc(Cl)c2)n1)c1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccn(Cc3cccc(Cl)c3)n2)c1 Clc1cccc(c1)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)[N-]c1ccn(C[*:1])n1
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccn(Cc3cccc(Cl)c3)n2)c1 Clc1cccc(c1)C[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)[N-]c1ccn(n1)[*:1]
C[C@@H](CO)CSC[C@H](C)C(=O)NN C[C@@H](CO)[*:1] C[C@@H](CSC[*:1])C(=O)NN
C[C@@H](CO)CSC[C@H](C)C(=O)NN NNC(=O)[*:1] C[C@@H](CO)CSC[C@H](C)[*:1]
CC1=C2C(=O)CC(C)(C)CC2=N[C@H]1C(=O)N[C@H](c1ccccc1F)c1nccn1C Fc1ccccc1[*:1] CC1=C2C(=O)CC(C)(C)CC2=N[C@H]1C(=O)N[C@H](c1nccn1C)[*:1]
CC1=C2C(=O)CC(C)(C)CC2=N[C@H]1C(=O)N[C@H](c1ccccc1F)c1nccn1C Cn1ccnc1[*:1] CC1=C2C(=O)CC(C)(C)CC2=N[C@H]1C(=O)N[C@H](c1ccccc1F)[*:1]
N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(Cn3cccn3)cc1)C2 c1cnn(c1)[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)c1ccc(cc1)C[*:1]
N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(Cn3cccn3)cc1)C2 c1cnn(c1)C[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)NCCc1ccccn1)c1nnc2ccccn12 c1ccc(nc1)[*:1] C[C@@H](NC(=O)NCC[*:1])c1nnc2ccccn12
C[C@@H](NC(=O)NCCc1ccccn1)c1nnc2ccccn12 c1ccc(C[*:1])nc1 C[C@@H](NC(=O)NC[*:1])c1nnc2ccccn12
CCC[C@H](Cc1ccccc1)NC(=O)CNC(N)=O c1ccc(cc1)[*:1] CCC[C@H](C[*:1])NC(=O)CNC(N)=O
CCC[C@H](Cc1ccccc1)NC(=O)CNC(N)=O CCC[*:1] NC(=O)NCC(=O)N[C@@H](Cc1ccccc1)[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)CNC(N)=O NC(=O)N[*:1] CCC[C@H](Cc1ccccc1)NC(=O)C[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)CNC(N)=O NC(=O)NC[*:1] CCC[C@H](Cc1ccccc1)NC(=O)[*:1]
COc1ccc(C(=O)N(C)Cc2ccc(C)o2)c(Br)c1 Cc1ccc(o1)[*:1] COc1ccc(C(=O)N(C)C[*:1])c(Br)c1
O=C(Nc1ccccc1N1CCCC1=O)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)CN1CCCC1=O
O=C(Nc1ccccc1N1CCCC1=O)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] O=C(Nc1ccccc1N1CCCC1=O)c1cccc(c1)[*:1]
O=C(Nc1ccccc1N1CCCC1=O)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(Nc1ccccc1N1CCCC1=O)c1cccc(c1)C[*:1]
CC(C)c1nn(C)c(N2CCOCC2)c1CN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 CC(C)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)Cc1c(nn(C)c1N1CCOCC1)[*:1]
CC(C)c1nn(C)c(N2CCOCC2)c1CN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 C1CN(CCO1)[*:1] CC(C)c1nn(C)c(c1CN1CCN(CC1)C(=O)[C@H]1C[C@H]1C)[*:1]
C[C@H](NC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C)[*:1]
C[C@H](NC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] Cn1c(nc2scc(-c3cccs3)c2c1=O)SCC(=O)N[*:1]
C[C@H](NC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C)c1ccc(F)cc1 c1csc(c1)[*:1] C[C@H](NC(=O)CSc1nc2scc(c2c(=O)n1C)[*:1])c1ccc(F)cc1
[NH3+]CCCC(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 [NH3+]CCC[*:1] O=C([O-])[C@H]1CC[C@@H](CNC(=O)[*:1])O1
[NH3+]CCCC(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 [NH3+]CC[*:1] O=C(C[*:1])NC[C@@H]1CC[C@@H](O1)C(=O)[O-]
[NH3+]CCCC(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] [NH3+]CCCC(=O)NC[C@@H]1CC[C@H](O1)[*:1]
CC(C)C(=O)c1ccccc1NC(=O)[C@@H](C)OCC(F)(F)F CC(C)[*:1] C[C@@H](OCC(F)(F)F)C(=O)Nc1ccccc1C(=O)[*:1]
CC(C)C(=O)c1ccccc1NC(=O)[C@@H](C)OCC(F)(F)F CC(C)C(=O)[*:1] C[C@@H](OCC(F)(F)F)C(=O)Nc1ccccc1[*:1]
CC(C)C(=O)c1ccccc1NC(=O)[C@@H](C)OCC(F)(F)F FC(F)(F)CO[*:1] CC(C)C(=O)c1ccccc1NC(=O)[C@@H](C)[*:1]
CC(C)C(=O)c1ccccc1NC(=O)[C@@H](C)OCC(F)(F)F FC(F)(F)[*:1] CC(C)C(=O)c1ccccc1NC(=O)[C@@H](C)OC[*:1]
CC(C)C(=O)c1ccccc1NC(=O)[C@@H](C)OCC(F)(F)F FC(F)(F)C[*:1] CC(C)C(=O)c1ccccc1NC(=O)[C@@H](C)O[*:1]
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccccc3)c2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(Nc1ccccc1)c1cccn(C[*:1])c1=O
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccccc3)c2=O)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)Cn1cccc(C(=O)N[*:1])c1=O
C#CCN(C(=O)/C=C/c1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(/C=C/c1c(Cl)cccc1Cl)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(C(=O)/C=C/c1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(C(=O)/C=C/c1c(Cl)cccc1Cl)[*:1]
CS(=O)(=O)c1ccc(NC(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1C[C@H](O)[C@H](C1)N1CCOCC1
CS(=O)(=O)c1ccc(NC(=O)N2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 C1CN(CCO1)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)N1C[C@H](O)[C@@H](C1)[*:1]
O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N1CCc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C(Cn1cnc2sc3CCCc3c2c1=O)N1CCc2ccc(cc21)[*:1]
CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 CCN(CCO)[*:1] CC(C)Cc1nc2sc3c(ncnc3c2c2CC(C)(C)OCc12)[*:1]
CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 CC(C)[*:1] CCN(CCO)c1ncnc2c1sc1nc(C[*:1])c3COC(C)(C)Cc3c12
CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 OCC[*:1] CCN(c1ncnc2c1sc1nc(CC(C)C)c3COC(C)(C)Cc3c12)[*:1]
CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 CC(C)C[*:1] CCN(CCO)c1ncnc2c1sc1nc(c3COC(C)(C)Cc3c12)[*:1]
Cc1cc(CS[C@H](C)CCO)oc1C(=O)NN NNC(=O)[*:1] Cc1cc(CS[C@H](C)CCO)oc1[*:1]
Cc1cc(CS[C@H](C)CCO)oc1C(=O)NN C[C@H](CCO)[*:1] Cc1cc(CS[*:1])oc1C(=O)NN
Cc1cc(CS[C@H](C)CCO)oc1C(=O)NN OCC[*:1] Cc1cc(CS[C@H](C)[*:1])oc1C(=O)NN
Cc1cc(CN2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)on1 Cc1cc(on1)[*:1] O=C1[C@H](CCCN1Cc1ccccc1)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)on1 Cc1cc(C[*:1])on1 O=C1[C@H](CCCN1Cc1ccccc1)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)on1 c1ccc(cc1)C[*:1] Cc1cc(CN2CCN(CC2)[C@H]2CCCN(C2=O)[*:1])on1
Cc1cc(CN2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)on1 c1ccc(cc1)[*:1] Cc1cc(CN2CCN(CC2)[C@H]2CCCN(C[*:1])C2=O)on1
COC[C@@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 COC[C@@H](C)[*:1] O=C(Nc1c2CSCc2nn1-c1ccccc1)C(=O)N[*:1]
COC[C@@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 c1ccc(cc1)[*:1] COC[C@@H](C)NC(=O)C(=O)Nc1c2CSCc2nn1[*:1]
COC[C@@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 COC[*:1] C[C@@H](NC(=O)C(=O)Nc1c2CSCc2nn1-c1ccccc1)[*:1]
CCCNC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 CCCNC(=O)[*:1] C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 CCC[*:1] C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CCCNC(=O)c1cccc(c1)NC(=O)[C@H](C)O[*:1]
CCCNC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 Clc1ccc(cc1)O[*:1] CCCNC(=O)c1cccc(c1)NC(=O)[C@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NS(=O)(=O)Cc3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](C)NS(=O)(=O)C[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NS(=O)(=O)Cc3ccccc3)CC2)s1 Cc1ccc(s1)[*:1] C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NS(=O)(=O)Cc3ccccc3)CC2)s1 c1ccc(cc1)C[*:1] Cc1ccc(s1)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](C)NS(=O)(=O)[*:1]
CC(C)OCCSc1nnc(-c2ccco2)n1C1CCCCC1 CC(C)OCCS[*:1] c1coc(c1)-c1nnc(n1C1CCCCC1)[*:1]
CC(C)OCCSc1nnc(-c2ccco2)n1C1CCCCC1 CC(C)OCC[*:1] c1coc(c1)-c1nnc(S[*:1])n1C1CCCCC1
CC(C)OCCSc1nnc(-c2ccco2)n1C1CCCCC1 c1coc(c1)[*:1] CC(C)OCCSc1nnc(n1C1CCCCC1)[*:1]
CC(C)OCCSc1nnc(-c2ccco2)n1C1CCCCC1 CC(C)O[*:1] c1coc(c1)-c1nnc(SCC[*:1])n1C1CCCCC1
CC(C)OCCSc1nnc(-c2ccco2)n1C1CCCCC1 CC(C)OC[*:1] c1coc(c1)-c1nnc(SC[*:1])n1C1CCCCC1
CC(C)OCCSc1nnc(-c2ccco2)n1C1CCCCC1 CC(C)[*:1] c1coc(c1)-c1nnc(SCCO[*:1])n1C1CCCCC1
CC(C)OCCSc1nnc(-c2ccco2)n1C1CCCCC1 C1CCC(CC1)[*:1] CC(C)OCCSc1nnc(-c2ccco2)n1[*:1]
C=C(Cl)COC(=O)c1nc2nccc(C)n2n1 C=C(Cl)[*:1] Cc1ccnc2nc(nn12)C(=O)OC[*:1]
C=C(Cl)COC(=O)c1nc2nccc(C)n2n1 C=C(Cl)C[*:1] Cc1ccnc2nc(nn12)C(=O)O[*:1]
CCCCN(C(=O)N[C@@H]1CCCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] CC1(C)CCCC[C@H]1NC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@@H]1CCCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] CC1(C)CCCC[C@H]1NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)N[C@@H]1CCCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCCN(C(=O)N[C@@H]1CCCCC1(C)C)[*:1]
C[NH+](CCC#N)CC(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] C[NH+](CCC#N)CC(=O)Nc1ccc(cc1)O[*:1]
C[NH+](CCC#N)CC(=O)Nc1ccc(Oc2ccccc2)cc1 N#CC[*:1] C[NH+](CC(=O)Nc1ccc(cc1)Oc1ccccc1)C[*:1]
C[NH+](CCC#N)CC(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] C[NH+](CCC#N)CC(=O)Nc1ccc(cc1)[*:1]
[NH3+][C@@H]1CC[C@H](Nc2ccc[nH+]c2N2CCCC2)C1 C1CCN(C1)[*:1] [NH3+][C@@H]1CC[C@@H](C1)Nc1ccc[nH+]c1[*:1]
O=C(NCc1ccsc1)[C@H]1CSCN1C(=O)C1CCCC1 C1CCC(C1)[*:1] O=C(NCc1ccsc1)[C@H]1CSCN1C(=O)[*:1]
O=C(NCc1ccsc1)[C@H]1CSCN1C(=O)C1CCCC1 c1cc(cs1)C[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)C1CCCC1
O=C(NCc1ccsc1)[C@H]1CSCN1C(=O)C1CCCC1 c1cc(cs1)[*:1] O=C(NC[*:1])[C@H]1CSCN1C(=O)C1CCCC1
COc1ccccc1-c1noc(COC(=O)c2nc(SC)ncc2Cl)n1 COc1ccccc1[*:1] CSc1ncc(Cl)c(n1)C(=O)OCc1nc(no1)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccccc1Cl CC(C)[*:1] C[S@@](=O)c1ccc(cc1)C[NH2+][C@@H](c1ccccc1Cl)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccccc1Cl C[S@@](=O)[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1Cl
CC(C)[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)[S@@](C)=O)[*:1]
CN(C)C(=O)c1ccc(C(=O)NC[C@@]2(O)CCSC2)cc1 CN(C)C(=O)[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(cc1)[*:1]
Cc1cn2c(C[NH+](C)Cc3nccs3)c(C)nc2s1 c1csc(n1)[*:1] Cc1cn2c(C[NH+](C)C[*:1])c(C)nc2s1
Cc1cn2c(C[NH+](C)Cc3nccs3)c(C)nc2s1 c1csc(C[*:1])n1 Cc1cn2c(C[NH+](C)[*:1])c(C)nc2s1
CCO/C([O-])=C1/C(C)=NC(=O)[C@]1(NC(=O)c1cccnc1)C(F)(F)F FC(F)(F)[*:1] CCO/C([O-])=C1/C(C)=NC(=O)[C@@]1(NC(=O)c1cccnc1)[*:1]
CCO/C([O-])=C1/C(C)=NC(=O)[C@]1(NC(=O)c1cccnc1)C(F)(F)F CCO[*:1] CC1=NC(=O)[C@@](NC(=O)c2cccnc2)(C1=C([O-])[*:1])C(F)(F)F
CCO/C([O-])=C1/C(C)=NC(=O)[C@]1(NC(=O)c1cccnc1)C(F)(F)F c1cncc(c1)[*:1] CCO/C([O-])=C1/C(C)=NC(=O)[C@]1(NC(=O)[*:1])C(F)(F)F
CC/[NH+]=C(/NC[C@H](C)C#N)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC/[NH+]=C(/NC[C@H](C)C#N)NC[*:1]
CC/[NH+]=C(/NC[C@H](C)C#N)NC[C@H]1CCCO1 C[C@H](C#N)C[*:1] CC/[NH+]=C(\NC[C@H]1CCCO1)N[*:1]
CC/[NH+]=C(/NC[C@H](C)C#N)NC[C@H]1CCCO1 C[C@H](C#N)[*:1] CC/[NH+]=C(\NC[C@H]1CCCO1)NC[*:1]
COc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=S)cc1 COc1ccc(cc1)[*:1] O=C(Cn1nc(oc1=S)-c1ccc(F)cc1)[*:1]
COc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=S)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Cn1nc(oc1=S)[*:1]
O=C(NC1CCCCC1)c1cn(C2CC2)cc(C(=O)NC2Cc3ccccc3C2)c1=O C1CC1[*:1] O=C(NC1CCCCC1)c1cn(cc(C(=O)NC2Cc3ccccc3C2)c1=O)[*:1]
O=C(NC1CCCCC1)c1cn(C2CC2)cc(C(=O)NC2Cc3ccccc3C2)c1=O O=C(NC1CCCCC1)[*:1] O=C(NC1Cc2ccccc2C1)c1cn(cc(c1=O)[*:1])C1CC1
O=C(NC1CCCCC1)c1cn(C2CC2)cc(C(=O)NC2Cc3ccccc3C2)c1=O C1CCC(CC1)[*:1] O=C(NC1Cc2ccccc2C1)c1cn(cc(C(=O)N[*:1])c1=O)C1CC1
O=C(NC1CCCCC1)c1cn(C2CC2)cc(C(=O)NC2Cc3ccccc3C2)c1=O c1ccc2CC(Cc2c1)[*:1] O=C(NC1CCCCC1)c1cn(cc(C(=O)N[*:1])c1=O)C1CC1
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(C)c1 Brc1ccc(s1)[*:1] Cc1ccc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c(C)c1
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Br)s1)[*:1]
Cc1c(C=O)c2ccccn2c1C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(C=O)c2ccccn2c1C(=O)[*:1]
CCC[C@]1(c2cc(OC)ccc2OC)CCC[NH2+]1 CCC[*:1] COc1ccc(OC)c(c1)[C@@]1(CCC[NH2+]1)[*:1]
CCC[NH2+][C@@]1(CO)CC[C@@H](Oc2ccccc2CO)C1 CCC[*:1] OCc1ccccc1O[C@@H]1CC[C@@](CO)(C1)[NH2+][*:1]
C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccccc1OC(C)(C)C CC(C)(C)O[*:1] C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccccc1[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccccc1OC(C)(C)C C[C@@H](CO)[*:1] C[C@@H](NC(=O)Nc1ccccc1OC(C)(C)C)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccccc1OC(C)(C)C CC(C)(C)[*:1] C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccccc1O[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)CN[C@@H](C(F)(F)F)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)C1 FC(F)(F)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)CN[C@@H](c1ccccc1)[*:1]
COc1ccc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2C)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)[C@H](C)[NH2+]Cc1cn(nc1C)[*:1]
CCN(Cc1nc(C)no1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 Cc1cc(C)n(n1)[*:1] CCN(Cc1nc(C)no1)C(=O)c1ccc(cc1)[*:1]
CCN(Cc1nc(C)no1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 Cc1noc(C[*:1])n1 CCN(C(=O)c1ccc(cc1)-n1nc(C)cc1C)[*:1]
CCN(Cc1nc(C)no1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 Cc1noc(n1)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)-n1nc(C)cc1C
CS(=O)(=O)c1ccc(OCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 CS(=O)(=O)[*:1] c1ccc(cc1)-c1nn(cc1COc1ccc(cc1)[*:1])-c1ccccc1
CS(=O)(=O)c1ccc(OCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)OCc1cn(nc1[*:1])-c1ccccc1
CS(=O)(=O)c1ccc(OCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)OCc1cn(nc1-c1ccccc1)[*:1]
Cc1cccc(C)c1OCCOc1cccc(CC(N)=O)c1 NC(=O)C[*:1] Cc1cccc(C)c1OCCOc1cccc(c1)[*:1]
Cc1cccc(C)c1OCCOc1cccc(CC(N)=O)c1 NC(=O)[*:1] Cc1cccc(C)c1OCCOc1cccc(c1)C[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H]1CCS(=O)(=O)C1 CNC(=O)[C@@H](C)[*:1] CN(C[*:1])C(=O)C[C@@H]1CCS(=O)(=O)C1
CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H]1CCS(=O)(=O)C1 CNC(=O)[*:1] C[C@@H](CN(C)C(=O)C[C@@H]1CCS(=O)(=O)C1)[*:1]
CC/[NH+]=C(\NCc1ccc2c(c1)OCO2)NCc1nncn1C Cn1cnnc1[*:1] CC/[NH+]=C(\NCc1ccc2OCOc2c1)NC[*:1]
CC/[NH+]=C(\NCc1ccc2c(c1)OCO2)NCc1nncn1C Cn1cnnc1C[*:1] CC/[NH+]=C(\NCc1ccc2OCOc2c1)N[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2N(C)C)C1 CC(C)[*:1] CN(C)c1ccccc1NC(=O)C(=O)NC[C@H]1CN(CCO1)C[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2N(C)C)C1 CN(C)[*:1] CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2[*:1])C1
CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2N(C)C)C1 CC(C)C[*:1] CN(C)c1ccccc1NC(=O)C(=O)NC[C@H]1CN(CCO1)[*:1]
CC(=O)OCc1c(OC(C)=O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(C)cc3)c12 Cc1ccc(cc1)[*:1] CC(=O)OCc1c(ccc2c(c(C)n(c12)[*:1])[N+](=O)[O-])OC(C)=O
CC(=O)OCc1c(OC(C)=O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(C)cc3)c12 O=[N+]([O-])[*:1] CC(=O)OCc1c(ccc2c(c(C)n(-c3ccc(C)cc3)c12)[*:1])OC(C)=O
CC(=O)OCc1c(OC(C)=O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(C)cc3)c12 CC(=O)OC[*:1] CC(=O)Oc1ccc2c(c(C)n(-c3ccc(C)cc3)c2c1[*:1])[N+](=O)[O-]
CC(=O)OCc1c(OC(C)=O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(C)cc3)c12 CC(=O)O[*:1] CC(=O)Oc1ccc2c(c(C)n(-c3ccc(C)cc3)c2c1C[*:1])[N+](=O)[O-]
CC(=O)OCc1c(OC(C)=O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(C)cc3)c12 CC(=O)O[*:1] CC(=O)OCc1c(ccc2c(c(C)n(-c3ccc(C)cc3)c12)[N+](=O)[O-])[*:1]
CC(C)(C)OC(=O)Nc1ccc(-c2cc(O)cc(C(F)(F)F)c2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)-c1cc(O)cc(c1)C(F)(F)F)O[*:1]
CC(C)(C)OC(=O)Nc1ccc(-c2cc(O)cc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(O)cc(c1)[*:1]
CC(C)(C)OC(=O)Nc1ccc(-c2cc(O)cc(C(F)(F)F)c2)cc1 CC(C)(C)OC(=O)N[*:1] Oc1cc(cc(c1)C(F)(F)F)-c1ccc(cc1)[*:1]
CCc1c(-c2ccccc2)n(CCCO)c2nc3c(c(=O)n(C)c(=O)n3C)n12 c1ccc(cc1)[*:1] CCc1c(n(CCCO)c2nc3c(c(=O)n(C)c(=O)n3C)n12)[*:1]
CCc1c(-c2ccccc2)n(CCCO)c2nc3c(c(=O)n(C)c(=O)n3C)n12 OCCC[*:1] CCc1c(-c2ccccc2)n(c2nc3c(c(=O)n(C)c(=O)n3C)n12)[*:1]
CCc1c(-c2ccccc2)n(CCCO)c2nc3c(c(=O)n(C)c(=O)n3C)n12 OCC[*:1] CCc1c(-c2ccccc2)n(C[*:1])c2nc3c(c(=O)n(C)c(=O)n3C)n12
CCOc1cccc([C@@H](C)C[C@H](C)[NH3+])c1 CCO[*:1] C[C@H]([NH3+])C[C@H](C)c1cccc(c1)[*:1]
O=C(NCCc1nc(NC2CC2)ncc1C(=O)N1CCCC1)[C@@H]1CCCO1 C1CC1N[*:1] O=C(NCCc1nc(ncc1C(=O)N1CCCC1)[*:1])[C@@H]1CCCO1
O=C(NCCc1nc(NC2CC2)ncc1C(=O)N1CCCC1)[C@@H]1CCCO1 C1CC1[*:1] O=C(NCCc1nc(ncc1C(=O)N1CCCC1)N[*:1])[C@@H]1CCCO1
O=C(NCCc1nc(NC2CC2)ncc1C(=O)N1CCCC1)[C@@H]1CCCO1 O=C(N1CCCC1)[*:1] O=C(NCCc1nc(ncc1[*:1])NC1CC1)[C@@H]1CCCO1
O=C(/C=C/c1ccsc1)NCc1coc(-c2cccs2)n1 c1cc(cs1)[*:1] O=C(C=C[*:1])NCc1coc(n1)-c1cccs1
O=C(/C=C/c1ccsc1)NCc1coc(-c2cccs2)n1 c1csc(c1)[*:1] O=C(/C=C/c1ccsc1)NCc1coc(n1)[*:1]
O=C(/C=C/c1ccsc1)NCc1coc(-c2cccs2)n1 C(=C[*:1])c1ccsc1 O=C(NCc1coc(n1)-c1cccs1)[*:1]
CC(=O)Nc1cccc([C@@H](C)OC(=O)CCc2cnn(C)c2)c1 Cn1cc(cn1)C[*:1] CC(=O)Nc1cccc(c1)[C@@H](C)OC(=O)C[*:1]
CC(=O)Nc1cccc([C@@H](C)OC(=O)CCc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] CC(=O)Nc1cccc(c1)[C@@H](C)OC(=O)CC[*:1]
CC(=O)Nc1cccc([C@@H](C)OC(=O)CCc2cnn(C)c2)c1 CC(=O)N[*:1] C[C@@H](OC(=O)CCc1cnn(C)c1)c1cccc(c1)[*:1]
COc1cccc2n[nH]/c(=N\C(=O)Nc3ccccc3C(F)(F)F)n12 FC(F)(F)[*:1] COc1cccc2n[nH]/c(=N\C(=O)Nc3ccccc3[*:1])n12
C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)[C@@H]1CN(CCO1)C[*:1]
C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 Cn1cc(cn1)[*:1] C[C@H]([NH2+][C@@H](CO)[*:1])[C@@H]1CN(CCO1)Cc1ccccc1
C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)[C@@H]1CN(CCO1)[*:1]
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CN(C(=O)c1cnn3c(-c4ccccc4)ccnc13)CC2 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CN(CC2)C(=O)c1cnn2c(ccnc12)[*:1]
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CN(C(=O)c1cnn3c(-c4ccccc4)ccnc13)CC2 CC(C)(C)[*:1] O=C(c1cnn2c(ccnc12)-c1ccccc1)N1CC[C@@H]2CC[C@H](C1)N2C(=O)O[*:1]
COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc(C)c(F)cc1F COC(=O)[*:1] Cc1cc(NS(=O)(=O)c2cc(C)c(F)cc2F)c([nH]1)[*:1]
C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)N[*:1]
CC(C)(C[C@@H](O)C(F)(F)F)C(=O)[O-] O=C([O-])[*:1] CC(C)(C[C@@H](O)C(F)(F)F)[*:1]
CC(C)(C[C@@H](O)C(F)(F)F)C(=O)[O-] FC(F)(F)[*:1] CC(C)(C[C@@H](O)[*:1])C(=O)[O-]
CC(C)N(C[C@@H]1C[C@H]1C)C(=O)NCCCC(=O)N1CCc2ccccc21 CC(C)[*:1] C[C@@H]1C[C@H]1CN(C(=O)NCCCC(=O)N1CCc2ccccc21)[*:1]
CN1C(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C(=O)C12CCCCC2 Clc1cccc(c1)[*:1] CN1C(=O)N(CN2CCN(CC2)[*:1])C(=O)C12CCCCC2
Cc1c(C)c(O)c(C(=O)Cl)c(C)c1O O=C(Cl)[*:1] Cc1c(C)c(O)c(c(C)c1O)[*:1]
C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](C#N)C(C)(C)C CC(C)(C)[*:1] C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](C#N)[*:1]
COc1ccccc1[C@H](N)c1nc(C(=O)[O-])c[nH]1 O=C([O-])[*:1] COc1ccccc1[C@H](N)c1nc(c[nH]1)[*:1]
C[NH+](CC(=O)N1CCC1)Cc1cccc2ccccc12 O=C(N1CCC1)[*:1] C[NH+](Cc1cccc2ccccc12)C[*:1]
Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)n1 O=C([O-])[*:1] Cn1cc(c(n1)C(=O)Nc1ccc(cc1)-c1nc2cc(Cl)ccc2o1)[*:1]
COc1cccc(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)c1 FC(F)[*:1] COc1cccc(c1)-c1cc(c2c(nn(C)c2n1)C1CC1)[*:1]
COc1cccc(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)c1 C1CC1[*:1] COc1cccc(c1)-c1cc(c2c(nn(C)c2n1)[*:1])C(F)F
COc1cccc(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)c1 COc1cccc(c1)[*:1] Cn1nc(c2c(cc(nc21)[*:1])C(F)F)C1CC1
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)N[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 CN(C)S(=O)(=O)[*:1] O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](C1)NC(=O)N1CCc2cc(ccc21)[*:1]
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)N[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)N[C@H]1CCCN(C1)C(=O)[*:1]
CNc1cc(N2CCC[C@H]2COC)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1cc(c(Cl)cc1[*:1])N1CCC[C@H]1COC
CNc1cc(N2CCC[C@H]2COC)c(Cl)cc1[N+](=O)[O-] COC[*:1] CNc1cc(c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1[*:1]
CSc1nc2nc(C)c(CCC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)c(C)n2n1 O=S(=O)(N1CCCCC1)[*:1] CSc1nc2nc(C)c(CCC(=O)Nc3cccc(c3)[*:1])c(C)n2n1
CC(C)Cn1c(Oc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C Clc1ccc(cc1)O[*:1] CC(C)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
CC(C)Cn1c(Oc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C CC(C)C[*:1] Cn1c(=O)c2c(nc(Oc3ccc(Cl)cc3)n2[*:1])n(C)c1=O
CC(C)Cn1c(Oc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C Clc1ccc(cc1)[*:1] CC(C)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)O[*:1]
CC(C)Cn1c(Oc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C CC(C)[*:1] Cn1c(=O)c2c(nc(Oc3ccc(Cl)cc3)n2C[*:1])n(C)c1=O
COc1c(Br)cccc1CNC(=O)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] COc1c(Br)cccc1CNC(=O)[C@H](C)[*:1]
COc1c(Br)cccc1CNC(=O)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] COc1c(Br)cccc1CNC(=O)[C@H](C)C[*:1]
O[C@@H](Cn1c[nH+]c(-c2ccccc2)c1CCc1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] O[C@@H](Cn1c[nH+]c(c1CCc1ccccc1)[*:1])c1cccnc1
O[C@@H](Cn1c[nH+]c(-c2ccccc2)c1CCc1ccccc1)c1cccnc1 c1cncc(c1)[*:1] O[C@@H](Cn1c[nH+]c(-c2ccccc2)c1CCc1ccccc1)[*:1]
O[C@@H](Cn1c[nH+]c(-c2ccccc2)c1CCc1ccccc1)c1cccnc1 c1ccc(cc1)CC[*:1] O[C@@H](Cn1c[nH+]c(-c2ccccc2)c1[*:1])c1cccnc1
O[C@@H](Cn1c[nH+]c(-c2ccccc2)c1CCc1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] O[C@@H](Cn1c[nH+]c(-c2ccccc2)c1CC[*:1])c1cccnc1
O[C@@H](Cn1c[nH+]c(-c2ccccc2)c1CCc1ccccc1)c1cccnc1 c1ccc(cc1)C[*:1] O[C@@H](Cn1c[nH+]c(-c2ccccc2)c1C[*:1])c1cccnc1
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CO)CC(C)(C)C ClCC[*:1] Cc1nn(c(C)c1C(=O)N[C@@H](CO)CC(C)(C)C)[*:1]
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CO)CC(C)(C)C CC(C)(C)C[*:1] Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CO)[*:1]
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CO)CC(C)(C)C CC(C)(C)[*:1] Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CO)C[*:1]
COCCCN(C(=O)[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 COC[*:1] O=C([C@H]1CC=CCC1)N(CC[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] O=C([C@H]1CC=CCC1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 COCCC[*:1] O=C([C@H]1CC=CCC1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COCCCN(C(=O)[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] COCCCN(C(=O)[C@H]1CC=CCC1)[*:1]
COc1cc(NS(=O)(=O)N(C)C(C)C)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])NS(=O)(=O)N(C)C(C)C
COc1cc(NS(=O)(=O)N(C)C(C)C)ccc1NC(C)=O CC(C)[*:1] COc1cc(ccc1NC(C)=O)NS(=O)(=O)N(C)[*:1]
O=C(CCCn1cncn1)NCC1([NH+]2CCCCC2)CCCCC1 c1ncn(CC[*:1])n1 O=C(C[*:1])NCC1(CCCCC1)[NH+]1CCCCC1
O=C(CCCn1cncn1)NCC1([NH+]2CCCCC2)CCCCC1 c1ncn(n1)[*:1] O=C(CCC[*:1])NCC1(CCCCC1)[NH+]1CCCCC1
O=C(CCCn1cncn1)NCC1([NH+]2CCCCC2)CCCCC1 c1ncn(C[*:1])n1 O=C(CC[*:1])NCC1(CCCCC1)[NH+]1CCCCC1
O=C(CCCn1cncn1)NCC1([NH+]2CCCCC2)CCCCC1 c1ncn(CCC[*:1])n1 O=C(NCC1(CCCCC1)[NH+]1CCCCC1)[*:1]
CC(C)[C@@H](C)C(=O)NNc1cc(C#N)cc(Cl)n1 CC(C)[C@@H](C)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)[*:1]
CC(C)[C@@H](C)C(=O)NNc1cc(C#N)cc(Cl)n1 CC(C)[*:1] C[C@@H](C(=O)NNc1cc(C#N)cc(Cl)n1)[*:1]
Cc1cc(C)c(C(=O)COc2cccc([N+](=O)[O-])c2C)cc1C O=[N+]([O-])[*:1] Cc1cc(C)c(cc1C)C(=O)COc1cccc(c1C)[*:1]
CCN(C(C)=O)c1nc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)cs1 CCN(C(C)=O)[*:1] C[C@@H]1CN(Cc2csc(n2)[*:1])C[C@H](O1)c1ccccc1
CCN(C(C)=O)c1nc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)cs1 c1ccc(cc1)[*:1] CCN(C(C)=O)c1nc(cs1)CN1C[C@@H](C)O[C@H](C1)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCCCl)cc1 ClCC[*:1] COc1ccc(cc1)-c1nn(cc1C(=O)O[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCCCl)cc1 COc1ccc(cc1)[*:1] O=C(OCCCl)c1cn(nc1[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCCCl)cc1 O=C(OCCCl)[*:1] COc1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCCCl)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1C(=O)OCCCl)[*:1]
CO[C@@H](C(=O)Oc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 O=C(N[*:1])c1ccco1 CO[C@@H](C(=O)Oc1ccc(cc1)[*:1])c1ccccc1
CO[C@@H](C(=O)Oc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 c1coc(c1)[*:1] CO[C@@H](C(=O)Oc1ccc(cc1)NC(=O)[*:1])c1ccccc1
CO[C@@H](C(=O)Oc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)Oc1ccc(cc1)NC(=O)c1ccco1)[*:1]
c1ccc(CC[NH2+][C@@H]2CCc3ncnn3C2)nc1 c1ccc(nc1)[*:1] c1nc2CC[C@H](Cn2n1)[NH2+]CC[*:1]
CSCc1cccc(C(=O)NCc2c[nH]nc2C)c1 Cc1n[nH]cc1[*:1] CSCc1cccc(c1)C(=O)NC[*:1]
CSCc1cccc(C(=O)NCc2c[nH]nc2C)c1 CSC[*:1] Cc1n[nH]cc1CNC(=O)c1cccc(c1)[*:1]
COc1ccc(C)cc1NC(=O)CNC(=O)c1cnn(-c2ccccc2C(F)(F)F)c1C COc1ccc(C)cc1[*:1] Cc1c(cnn1-c1ccccc1C(F)(F)F)C(=O)NCC(=O)N[*:1]
COc1ccc(C)cc1NC(=O)CNC(=O)c1cnn(-c2ccccc2C(F)(F)F)c1C FC(F)(F)c1ccccc1[*:1] COc1ccc(C)cc1NC(=O)CNC(=O)c1cnn(c1C)[*:1]
COc1ccc(C)cc1NC(=O)CNC(=O)c1cnn(-c2ccccc2C(F)(F)F)c1C FC(F)(F)[*:1] COc1ccc(C)cc1NC(=O)CNC(=O)c1cnn(-c2ccccc2[*:1])c1C
COc1ccc2c(ccn2CC(=O)N2CCC[C@@H](CNC(C)=O)C2)c1 CC(=O)NC[*:1] COc1ccc2c(ccn2CC(=O)N2CCC[C@@H](C2)[*:1])c1
COc1ccc2c(ccn2CC(=O)N2CCC[C@@H](CNC(C)=O)C2)c1 CC(=O)N[*:1] COc1ccc2c(ccn2CC(=O)N2CCC[C@H](C2)C[*:1])c1
Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)[NH+](C)C)cc1 c1cnc(nc1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)[C@@H]1CCCN(C1)[*:1])[NH+](C)C
Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(C1)c1ncccn1)[*:1]
COCC(=O)Nc1c(C)nn(C)c1C(=O)OC COC(=O)[*:1] COCC(=O)Nc1c(C)nn(C)c1[*:1]
COCC(=O)Nc1c(C)nn(C)c1C(=O)OC COC[*:1] COC(=O)c1c(NC(=O)[*:1])c(C)nn1C
CCOc1ccc(F)c(C(=O)NC[C@H]2CCCS2(=O)=O)c1F CCO[*:1] O=C(NC[C@H]1CCCS1(=O)=O)c1c(F)ccc(c1F)[*:1]
COCCN(Cc1cccnc1)C(=O)N[C@H](C)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] COCCN(Cc1cccnc1)C(=O)N[C@H](C)[*:1]
COCCN(Cc1cccnc1)C(=O)N[C@H](C)c1ccc(C)c(F)c1 c1cncc(c1)C[*:1] COCCN(C(=O)N[C@H](C)c1ccc(C)c(F)c1)[*:1]
COCCN(Cc1cccnc1)C(=O)N[C@H](C)c1ccc(C)c(F)c1 COC[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N(Cc1cccnc1)C[*:1]
COCCN(Cc1cccnc1)C(=O)N[C@H](C)c1ccc(C)c(F)c1 c1cncc(c1)[*:1] COCCN(C[*:1])C(=O)N[C@H](C)c1ccc(C)c(F)c1
COCCN(Cc1cccnc1)C(=O)N[C@H](C)c1ccc(C)c(F)c1 COCC[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N(Cc1cccnc1)[*:1]
Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(Nc3ccccc3F)CC2)o1 Cc1ccc(o1)[*:1] Fc1ccccc1NC1CC[NH+](CC1)Cc1c[nH]nc1[*:1]
Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(Nc3ccccc3F)CC2)o1 Fc1ccccc1N[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(Nc3ccccc3F)CC2)o1 Fc1ccccc1[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH+]1CCC(CC1)N[*:1]
COc1ccc(CC[C@H](C)NC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 COc1ccc(cc1)CC[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)N[C@@H](C)[*:1]
COc1ccc(CC[C@H](C)NC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 COc1ccc(cc1)C[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
COc1ccc(CC[C@H](C)NC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)N[C@@H](C)CC[*:1]
COc1ccc(CC[C@H](C)NC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 CC(=O)c1ccc(c(F)c1)[*:1] COc1ccc(cc1)CC[C@H](C)NC(=O)N1CCN(CC1)[*:1]
COc1ccc(CC[C@H](C)NC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 CC(=O)[*:1] COc1ccc(cc1)CC[C@H](C)NC(=O)N1CCN(CC1)c1ccc(cc1F)[*:1]
CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 CC(C)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])C(=O)N(CCC#N)c1ccccc1
CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 N#CCC[*:1] CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)N(c1ccccc1)[*:1]
CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 N#CC[*:1] CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)N(C[*:1])c1ccccc1
CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)[*:1]
CNC(=O)NC(=O)CN(CC1CCC1)CC(F)(F)F FC(F)(F)C[*:1] CNC(=O)NC(=O)CN(CC1CCC1)[*:1]
CNC(=O)NC(=O)CN(CC1CCC1)CC(F)(F)F C1CC(C1)[*:1] CNC(=O)NC(=O)CN(CC(F)(F)F)C[*:1]
CNC(=O)NC(=O)CN(CC1CCC1)CC(F)(F)F C1CC(C1)C[*:1] CNC(=O)NC(=O)CN(CC(F)(F)F)[*:1]
CNC(=O)NC(=O)CN(CC1CCC1)CC(F)(F)F FC(F)(F)[*:1] CNC(=O)NC(=O)CN(CC1CCC1)C[*:1]
Nc1nc(N2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(ccc1[*:1])N1CCC[C@H]1[C@@H]1CCC[NH2+]1
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(c1ccccc1)[*:1]
C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 O=[N+]([O-])[*:1] C[C@H](NC(=O)NCCn1cc(cn1)[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)NCCn1cc(cn1)[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c(C)n1 Cc1ccc(c(C)n1)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)[*:1])c1=O
Cc1ccc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c(C)n1 Cn1cnn(c1=O)[*:1] Cc1ccc(C(=O)Nc2ccc(cc2)[*:1])c(C)n1
Nc1c(F)cncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1c(F)cncc1[*:1]
O=C(/C=C/c1ccncc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccncc1)c1cccc(c1)[*:1]
O=C(/C=C/c1ccncc1)c1cccc([N+](=O)[O-])c1 c1cc(ccn1)[*:1] O=C(C=C[*:1])c1cccc(c1)[N+](=O)[O-]
CC(C)(C(=O)NCCC(=O)N1CCCCC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)(C(=O)NCCC(=O)N1CCCCC1)[*:1]
COc1ccc(Cl)cc1[C@H](C)NC[C@](C)(O)c1cnn(C)c1 Cn1cc(cn1)[*:1] COc1ccc(Cl)cc1[C@H](C)NC[C@](C)(O)[*:1]
C[C@@H]1CCCN(S(=O)(=O)NCC(=O)N(C)CCc2ccccn2)C1 c1ccc(CC[*:1])nc1 C[C@@H]1CCCN(C1)S(=O)(=O)NCC(=O)N(C)[*:1]
C[C@@H]1CCCN(S(=O)(=O)NCC(=O)N(C)CCc2ccccn2)C1 c1ccc(C[*:1])nc1 C[C@@H]1CCCN(C1)S(=O)(=O)NCC(=O)N(C)C[*:1]
C[C@@H]1CCCN(S(=O)(=O)NCC(=O)N(C)CCc2ccccn2)C1 c1ccc(nc1)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)NCC(=O)N(C)CC[*:1]
Cc1cnc2c(c1)nc([C@@H](C)Cl)n2C[C@@H]1CCS(=O)(=O)C1 C[C@@H](Cl)[*:1] Cc1cnc2c(c1)nc(n2C[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cnc2c(c1)nc([C@@H](C)Cl)n2C[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] Cc1cnc2c(c1)nc([C@@H](C)Cl)n2C[*:1]
Cc1nn(CSc2nnc(C(F)(F)F)n2N)c(C)c1[N+](=O)[O-] FC(F)(F)[*:1] Cc1nn(CSc2nnc(n2N)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CSc2nnc(C(F)(F)F)n2N)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CSc2nnc(n2N)C(F)(F)F)c(C)c1[*:1]
C[C@](O)(CNC(=O)NCc1cccc(OCC#N)c1)c1ccsc1 N#CC[*:1] C[C@](O)(CNC(=O)NCc1cccc(c1)O[*:1])c1ccsc1
C[C@](O)(CNC(=O)NCc1cccc(OCC#N)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNC(=O)NCc1cccc(c1)OCC#N)[*:1]
C[C@](O)(CNC(=O)NCc1cccc(OCC#N)c1)c1ccsc1 N#CCO[*:1] C[C@](O)(CNC(=O)NCc1cccc(c1)[*:1])c1ccsc1
Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)on1 Cc1cc(on1)[*:1] Cc1noc(C)c1CCC(=O)N1CCC[C@@H](C1)c1nnsc1[*:1]
Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)on1 Cc1noc(C)c1[*:1] Cc1cc(on1)-c1snnc1[C@H]1CCCN(C1)C(=O)CC[*:1]
Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)on1 Cc1noc(C)c1CC[*:1] Cc1cc(on1)-c1snnc1[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)on1 Cc1noc(C)c1C[*:1] Cc1cc(on1)-c1snnc1[C@H]1CCCN(C1)C(=O)C[*:1]
O=S(=O)(NCCc1nncn1C1CC1)c1c(F)cccc1F C1CC1[*:1] O=S(=O)(NCCc1nncn1[*:1])c1c(F)cccc1F
Cc1c[nH+]c(N2CCC[C@H](Cn3cc(CN4CCSCC4)nn3)C2)nc1N C1CN(CCS1)[*:1] Cc1c[nH+]c(nc1N)N1CCC[C@@H](C1)Cn1cc(C[*:1])nn1
Cc1c[nH+]c(N2CCC[C@H](Cn3cc(CN4CCSCC4)nn3)C2)nc1N C1CN(CCS1)C[*:1] Cc1c[nH+]c(nc1N)N1CCC[C@@H](C1)Cn1cc(nn1)[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OC[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCc1ccccc1 c1csc(n1)[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])ccc1OCc1ccccc1
COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1O[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCc1ccccc1 O=C(Nc1nccs1)[*:1] COc1cc(C=C(C#N)[*:1])ccc1OCc1ccccc1
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSCc1ccc(Cl)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)CSCc1ccc(Cl)cc1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1NC(=O)CS[*:1])S(=O)(=O)N(C)C
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)CSC[*:1])S(=O)(=O)N(C)C
O=C(Nc1cnc2ccccc2n1)c1ccc(F)c(COCC2CC2)c1 C1CC1COC[*:1] O=C(Nc1cnc2ccccc2n1)c1ccc(F)c(c1)[*:1]
O=C(Nc1cnc2ccccc2n1)c1ccc(F)c(COCC2CC2)c1 C1CC1[*:1] O=C(Nc1cnc2ccccc2n1)c1ccc(F)c(c1)COC[*:1]
O=C(Nc1cnc2ccccc2n1)c1ccc(F)c(COCC2CC2)c1 C1CC1CO[*:1] O=C(Nc1cnc2ccccc2n1)c1ccc(F)c(c1)C[*:1]
O=C(Nc1cnc2ccccc2n1)c1ccc(F)c(COCC2CC2)c1 C1CC1C[*:1] O=C(Nc1cnc2ccccc2n1)c1ccc(F)c(c1)CO[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cc2C1 CC(C)(C)[*:1] O=C1NC(=O)C2(CCN(CC2)C(=O)c2cc3C[C@@H](CCc3s2)[*:1])N1
CN(Cc1ccc(F)cc1F)C(=O)CNC(=O)c1cc2ccccc2[nH]1 Fc1ccc(c(F)c1)[*:1] CN(C[*:1])C(=O)CNC(=O)c1cc2ccccc2[nH]1
Cc1ccc(NC(=O)C2CCN(c3ncnc4onc(C)c34)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1noc2ncnc(c12)N1CCC(CC1)C(=O)N[*:1]
CCc1cnc(CCNC(=O)NNC(=O)[C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] CCc1cnc(CCNC(=O)NNC(=O)[*:1])s1
CCc1cnc(CCNC(=O)NNC(=O)[C@H]2CCCO2)s1 CCc1cnc(s1)[*:1] O=C(NCC[*:1])NNC(=O)[C@H]1CCCO1
NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N NC(=O)C[*:1] Nn1c(Cc2cccc3ccccc23)nnc1S[*:1]
NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N NC(=O)[*:1] Nn1c(Cc2cccc3ccccc23)nnc1SC[*:1]
NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N NC(=O)CS[*:1] Nn1c(Cc2cccc3ccccc23)nnc1[*:1]
Cc1cccc(C)c1NC1=CC(=O)N(CCO)C1=O OCC[*:1] Cc1cccc(C)c1NC1=CC(=O)N(C1=O)[*:1]
COc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])[C@H](C)[NH2+][C@H]1CC(=O)N(C1)C(C)(C)C
COc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1NC(C)=O CC(C)(C)[*:1] COc1ccc(cc1NC(C)=O)[C@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C1 FC(F)(F)C[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C1 CCOC(=O)[*:1] O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C1 FC(F)(F)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)N[C@H](C[*:1])c1ccc(F)cc1
CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)N[C@H](CC(F)(F)F)[*:1]
COc1ccc(F)cc1C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] COc1ccc(F)cc1C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1nn(C)cc1CCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 Cc1nn(C)cc1[*:1] O=C(CC[*:1])NCC1CCN(CC1)c1cc[nH+]cc1
Cc1nn(C)cc1CCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 Cc1nn(C)cc1C[*:1] O=C(C[*:1])NCC1CCN(CC1)c1cc[nH+]cc1
Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 Cc1cccc(c1)[*:1] Cc1ccccc1C[NH+]1CCN(CC1)C(=O)CO[*:1]
Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 Cc1ccccc1C[*:1] Cc1cccc(c1)OCC(=O)N1CC[NH+](CC1)[*:1]
Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 Cc1cccc(c1)O[*:1] Cc1ccccc1C[NH+]1CCN(CC1)C(=O)C[*:1]
Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 Cc1ccccc1[*:1] Cc1cccc(c1)OCC(=O)N1CC[NH+](CC1)C[*:1]
COC(=O)[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C c1nnsc1[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2cnns2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)c1cnns1
COCC1CCN(C(=O)C2CCC2)CC1 C1CC(C1)[*:1] COCC1CCN(CC1)C(=O)[*:1]
COCC1CCN(C(=O)C2CCC2)CC1 COC[*:1] O=C(C1CCC1)N1CCC(CC1)[*:1]
Cc1ccc(C(=O)Nc2cn[nH]c2)c(C)c1 c1n[nH]cc1[*:1] Cc1ccc(C(=O)N[*:1])c(C)c1
CNC(=O)c1cnc(/C=C/c2cc(C)ccc2F)[nH]c1=O CNC(=O)[*:1] Cc1ccc(F)c(/C=C/c2ncc(c(=O)[nH]2)[*:1])c1
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C c1cc(ccn1)[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1nc(no1)[*:1])C(C)C
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C CC(C)[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1nc(no1)-c1ccncc1)[*:1]
COc1cc(F)cc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)c1 c1ccc(cc1)C[*:1] COc1cc(F)cc(c1)C[NH2+]Cc1c(C)nn(c1Cl)[*:1]
COc1cc(F)cc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)c1 c1ccc(cc1)[*:1] COc1cc(F)cc(c1)C[NH2+]Cc1c(C)nn(C[*:1])c1Cl
C=C(C)C[NH+]1CCCN(C(=O)C(C)(C)C)CC1 C=C(C)[*:1] CC(C)(C)C(=O)N1CCC[NH+](CC1)C[*:1]
C=C(C)C[NH+]1CCCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] C=C(C)C[NH+]1CCCN(CC1)C(=O)[*:1]
C=C(C)C[NH+]1CCCN(C(=O)C(C)(C)C)CC1 C=C(C)C[*:1] CC(C)(C)C(=O)N1CCC[NH+](CC1)[*:1]
CSc1ccc(N[C@@H]2C[C@H](C)N(c3ccccc3)C2)[nH+]n1 c1ccc(cc1)[*:1] CSc1ccc(N[C@@H]2C[C@H](C)N(C2)[*:1])[nH+]n1
CCNC(=O)N1C[C@H](C(=O)NCc2ccccc2F)CC[C@@H]1c1ccc(F)c(C)c1 Fc1ccccc1[*:1] CCNC(=O)N1C[C@@H](CC[C@@H]1c1ccc(F)c(C)c1)C(=O)NC[*:1]
CCNC(=O)N1C[C@H](C(=O)NCc2ccccc2F)CC[C@@H]1c1ccc(F)c(C)c1 Fc1ccccc1C[*:1] CCNC(=O)N1C[C@@H](CC[C@@H]1c1ccc(F)c(C)c1)C(=O)N[*:1]
CCNC(=O)N1C[C@H](C(=O)NCc2ccccc2F)CC[C@@H]1c1ccc(F)c(C)c1 Cc1cc(ccc1F)[*:1] CCNC(=O)N1C[C@@H](CC[C@H]1[*:1])C(=O)NCc1ccccc1F
COc1cc(OC)cc(C(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)c1 C1CCN(C1)[*:1] COc1cc(cc(c1)C(=O)N1CCN(CC1)c1ccc(nn1)[*:1])OC
CC(C)[NH+](CC(N)=O)CC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[NH+](CC(N)=O)CC(=O)N1CCC(CC1)C[*:1]
CC(C)[NH+](CC(N)=O)CC(=O)N1CCC(Cc2ccccc2)CC1 NC(=O)[*:1] CC(C)[NH+](CC(=O)N1CCC(CC1)Cc1ccccc1)C[*:1]
CC(C)[NH+](CC(N)=O)CC(=O)N1CCC(Cc2ccccc2)CC1 CC(C)[*:1] NC(=O)C[NH+](CC(=O)N1CCC(CC1)Cc1ccccc1)[*:1]
CC(C)[NH+](CC(N)=O)CC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)[NH+](CC(N)=O)CC(=O)N1CCC(CC1)[*:1]
Cc1ccc(/C=C/C(=O)N2CC[C@H](C(N)=O)c3ccccc32)o1 Cc1ccc(o1)[*:1] NC(=O)[C@H]1CCN(C(=O)C=C[*:1])c2ccccc21
Cc1ccc(/C=C/C(=O)N2CC[C@H](C(N)=O)c3ccccc32)o1 NC(=O)[*:1] Cc1ccc(/C=C/C(=O)N2CC[C@H](c3ccccc32)[*:1])o1
Cc1ccc(C2=NN(C(=O)CSc3nncs3)[C@@H](c3ccco3)C2)cc1 c1nnc(SC[*:1])s1 Cc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)[*:1]
Cc1ccc(C2=NN(C(=O)CSc3nncs3)[C@@H](c3ccco3)C2)cc1 c1nnc(s1)[*:1] Cc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)CS[*:1]
Cc1ccc(C2=NN(C(=O)CSc3nncs3)[C@@H](c3ccco3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nncs1)N1N=C(C[C@@H]1c1ccco1)[*:1]
Cc1ccc(C2=NN(C(=O)CSc3nncs3)[C@@H](c3ccco3)C2)cc1 c1nnc(S[*:1])s1 Cc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)C[*:1]
Cc1ccc(C2=NN(C(=O)CSc3nncs3)[C@@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C1C[C@H](N(N=1)C(=O)CSc1nncs1)[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)NC(=O)C1CCC1 O=C(N[*:1])C1CCC1 CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)NC(=O)C1CCC1 C1CC(C1)[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)NC(=O)[*:1]
CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 O=S(=O)(NCc1cccs1)[*:1] CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(c1)[*:1]
CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 c1csc(c1)[*:1] CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(c1)S(=O)(=O)NC[*:1]
CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 c1csc(c1)C[*:1] CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
Cc1cccc(-n2nnnc2SCc2cc(=O)oc3cc4c(cc23)CCC4)c1 Cc1cccc(c1)[*:1] O=c1cc(CSc2nnnn2[*:1])c2cc3CCCc3cc2o1
CCCOc1c(Cl)cc(C[NH+]2CCN(C3CC3)C(=O)C2)cc1OC CCC[*:1] COc1cc(cc(Cl)c1O[*:1])C[NH+]1CCN(C(=O)C1)C1CC1
CCCOc1c(Cl)cc(C[NH+]2CCN(C3CC3)C(=O)C2)cc1OC C1CC1[*:1] CCCOc1c(Cl)cc(cc1OC)C[NH+]1CCN(C(=O)C1)[*:1]
CCCOc1c(Cl)cc(C[NH+]2CCN(C3CC3)C(=O)C2)cc1OC CCCO[*:1] COc1cc(cc(Cl)c1[*:1])C[NH+]1CCN(C(=O)C1)C1CC1
CCN1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(F)cc2C)CC1=O Cc1cc(F)ccc1[*:1] CCN1C[C@@H](CC1=O)NC(=O)CNS(=O)(=O)[*:1]
CCC[C@@H](C)C(=O)NCc1ccccc1C CCC[*:1] Cc1ccccc1CNC(=O)[C@H](C)[*:1]
CCC[C@@H](C)C(=O)NCc1ccccc1C CCC[C@@H](C)[*:1] Cc1ccccc1CNC(=O)[*:1]
CCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)no1 CCCc1cc(no1)[*:1] COc1ccc(cc1OC)S(=O)(=O)N1CCC[C@@H]1[*:1]
CCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)no1 CCC[*:1] COc1ccc(cc1OC)S(=O)(=O)N1CCC[C@@H]1c1cc(on1)[*:1]
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccnc1N1CCCC1 C1CCN(C1)[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)N1CCCCC1)Nc1cccnc1[*:1]
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccnc1N1CCCC1 O=S(=O)(N1CCCCC1)[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1cccnc1N1CCCC1
COC(=O)C1(C(=O)OC)Oc2ccccc2C1=O COC(=O)[*:1] COC(=O)C1(Oc2ccccc2C1=O)[*:1]
CC(C)[C@H]([NH3+])Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-] CC(C)[*:1] [NH3+][C@H](Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[*:1]
CC(C)[C@H]([NH3+])Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)[C@H]([NH3+])Cc1cc(Cl)c(Cl)cc1[*:1]
Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)cccc2c1 Cn1nc(ccc1=O)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1C O=[N+]([O-])c1ccc(o1)[*:1] Cc1ccc(cc1C)C(=O)COC(=O)C=C[*:1]
Cc1ccc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)C(=O)COC(=O)/C=C/c1ccc(o1)[*:1]
Cc1ccc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1C Cc1ccc(cc1C)[*:1] O=C(/C=C/c1ccc(o1)[N+](=O)[O-])OCC(=O)[*:1]
Cc1cccc(C(=O)Nc2c[nH]nc2-c2ccccn2)c1O c1ccc(nc1)[*:1] Cc1cccc(C(=O)Nc2c[nH]nc2[*:1])c1O
CN(Cc1ccco1)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 Fc1ccc(cc1)[*:1] CN(Cc1ccco1)C(=O)COc1ncnc2scc(c12)[*:1]
CN(Cc1ccco1)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 c1coc(c1)C[*:1] CN(C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12)[*:1]
CN(Cc1ccco1)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 c1coc(c1)[*:1] CN(C[*:1])C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12
O=C(Cn1ncc(=O)c2ccccc21)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(Cn1ncc(=O)c2ccccc21)NC[C@@H]1CCCN(C1)[*:1]
O=C(C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(F)cc2)N1c1nncs1
O=C(C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(c2nncs2)[C@H]1[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1ccc(F)cc1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@@H](c2ccc(F)cc2)N1c1nncs1)[*:1]
O=C(C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1ccc(F)cc1)c1ccccc1 c1nnc(s1)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc(F)cc1)[*:1])c1ccccc1
C/C(=N/NC(=O)c1cccn1C)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] C/C(=N/NC(=O)c1cccn1C)c1ccc(cc1)[*:1]
C/C(=N/NC(=O)c1cccn1C)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] C/C(=N/NC(=O)c1cccn1C)c1ccc(cc1)O[*:1]
C/C(=N/NC(=O)c1cccn1C)c1ccc(Oc2ccccc2)cc1 Cn1cccc1[*:1] C/C(=N/NC(=O)[*:1])c1ccc(cc1)Oc1ccccc1
COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 COc1ccccc1NC(=O)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 COc1ccccc1[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
O=C(C/C=C/c1ccc(F)cc1)N1CCc2c1cccc2[N+](=O)[O-] Fc1ccc(cc1)[*:1] O=C(CC=C[*:1])N1CCc2c1cccc2[N+](=O)[O-]
O=C(C/C=C/c1ccc(F)cc1)N1CCc2c1cccc2[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(C/C=C/c1ccc(F)cc1)N1CCc2c1cccc2[*:1]
CCc1nsc(N2CCN(Cc3cccc(-n4cccn4)c3)CC2)n1 CCc1nsc(n1)[*:1] c1cc(cc(c1)-n1cccn1)CN1CCN(CC1)[*:1]
CCc1nsc(N2CCN(Cc3cccc(-n4cccn4)c3)CC2)n1 c1cnn(c1)[*:1] CCc1nsc(n1)N1CCN(CC1)Cc1cccc(c1)[*:1]
O=C(Cc1ccccc1O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 Clc1ccc(Cl)c(c1)[*:1] O=C(Cc1ccccc1O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(Cc1ccccc1O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 Oc1ccccc1C[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
O=C(Cc1ccccc1O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 Oc1ccccc1[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
NC(=O)NCCCCC(=O)N1CCc2ccc(Cl)cc2C1 NC(=O)N[*:1] O=C(CCCC[*:1])N1CCc2ccc(Cl)cc2C1
NC(=O)NCCCCC(=O)N1CCc2ccc(Cl)cc2C1 NC(=O)NC[*:1] O=C(CCC[*:1])N1CCc2ccc(Cl)cc2C1
NC(=O)NCCCCC(=O)N1CCc2ccc(Cl)cc2C1 NC(=O)NCCC[*:1] O=C(C[*:1])N1CCc2ccc(Cl)cc2C1
NC(=O)NCCCCC(=O)N1CCc2ccc(Cl)cc2C1 NC(=O)NCC[*:1] O=C(CC[*:1])N1CCc2ccc(Cl)cc2C1
COc1ccc(OCC2CCN(C(=O)C(C)(C)n3cncn3)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)(C(=O)N1CCC(CC1)CO[*:1])n1cncn1
CCCS(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(-c3ccccc3)cc2)C1 CCCS(=O)(=O)N[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1C[C@@H]2C[C@H](C1)c1ccc(c(=O)n1C2)[*:1]
CCCS(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(-c3ccccc3)cc2)C1 c1ccc(cc1)[*:1] CCCS(=O)(=O)Nc1ccc2[C@@H]3C[C@@H](CN(C3)C(=O)c3ccc(cc3)[*:1])Cn2c1=O
CCCS(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(-c3ccccc3)cc2)C1 CCC[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1C[C@@H]2C[C@H](C1)c1ccc(NS(=O)(=O)[*:1])c(=O)n1C2
CCNC(=O)c1cccc(CNC(=O)c2cc(Cl)cc3cccnc23)c1 CCNC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])c1cc(Cl)cc2cccnc12
O=S(=O)(Cc1ccccc1F)NCc1cn(-c2ccccc2)nn1 Fc1ccccc1C[*:1] O=S(=O)(NCc1cn(nn1)-c1ccccc1)[*:1]
O=S(=O)(Cc1ccccc1F)NCc1cn(-c2ccccc2)nn1 Fc1ccccc1[*:1] O=S(=O)(C[*:1])NCc1cn(nn1)-c1ccccc1
O=S(=O)(Cc1ccccc1F)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=S(=O)(Cc1ccccc1F)NCc1cn(nn1)[*:1]
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 O=C([O-])[*:1] CO[C@@H]1C[C@@H](N(C1)C(=O)[C@@H]1CCS(=O)(=O)C1)[*:1]
CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 CCNC(=O)[*:1] Cc1ccc(cc1)N1C(=O)CC[C@H]([C@@H]1c1cccs1)[*:1]
CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 c1csc(c1)[*:1] CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1[*:1]
CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 Cc1ccc(cc1)[*:1] CCNC(=O)[C@@H]1CCC(=O)N([C@H]1c1cccs1)[*:1]
[NH3+][C@@H](Cc1cccnc1)[C@H]1CCOC2(CCCCC2)C1 c1cncc(c1)[*:1] [NH3+][C@@H](C[*:1])[C@H]1CCOC2(CCCCC2)C1
CC(=O)N1CCCc2cc(NC(=O)c3ccc(-n4ccnn4)cc3)ccc21 c1cn(nn1)[*:1] CC(=O)N1CCCc2cc(ccc21)NC(=O)c1ccc(cc1)[*:1]
Cc1ccn(CCNS(=O)(=O)c2ccc3c(c2)C[C@H](NC(=O)C2CCCC2)C3)n1 C1CCC(C1)[*:1] Cc1ccn(CCNS(=O)(=O)c2ccc3C[C@H](Cc3c2)NC(=O)[*:1])n1
Cc1ccn(CCNS(=O)(=O)c2ccc3c(c2)C[C@H](NC(=O)C2CCCC2)C3)n1 Cc1ccn(CC[*:1])n1 O=C(N[C@@H]1Cc2ccc(cc2C1)S(=O)(=O)N[*:1])C1CCCC1
Cc1ccn(CCNS(=O)(=O)c2ccc3c(c2)C[C@H](NC(=O)C2CCCC2)C3)n1 Cc1ccn(C[*:1])n1 O=C(N[C@@H]1Cc2ccc(cc2C1)S(=O)(=O)NC[*:1])C1CCCC1
Cc1ccn(CCNS(=O)(=O)c2ccc3c(c2)C[C@H](NC(=O)C2CCCC2)C3)n1 O=C(N[*:1])C1CCCC1 Cc1ccn(CCNS(=O)(=O)c2ccc3C[C@@H](Cc3c2)[*:1])n1
Cc1ccn(CCNS(=O)(=O)c2ccc3c(c2)C[C@H](NC(=O)C2CCCC2)C3)n1 Cc1ccn(n1)[*:1] O=C(N[C@@H]1Cc2ccc(cc2C1)S(=O)(=O)NCC[*:1])C1CCCC1
CC1(C)C[NH+]=C(N2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)S1 c1cnn(c1)[*:1] CC1(C)C[NH+]=C(S1)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CCCCOCCn1c(N)[nH+]c2ccc(C)cc21 CCCCO[*:1] Cc1ccc2[nH+]c(N)n(CC[*:1])c2c1
CCCCOCCn1c(N)[nH+]c2ccc(C)cc21 CCC[*:1] Cc1ccc2[nH+]c(N)n(CCOC[*:1])c2c1
CCCCOCCn1c(N)[nH+]c2ccc(C)cc21 CCCCOC[*:1] Cc1ccc2[nH+]c(N)n(C[*:1])c2c1
CCCCOCCn1c(N)[nH+]c2ccc(C)cc21 CCCC[*:1] Cc1ccc2[nH+]c(N)n(CCO[*:1])c2c1
CC[NH2+][C@@H](C[C@@H]1CCCO1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 C1CO[C@@H](C1)[*:1] CC[NH2+][C@@H](C[*:1])[C@@H]1CCC[C@@H](C1)S(C)(=O)=O
CC[NH2+][C@@H](C[C@@H]1CCCO1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 C1CO[C@@H](C1)C[*:1] CC[NH2+][C@@H]([C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC[NH2+][C@@H](C[C@@H]1CCCO1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[NH2+][C@@H](C[C@@H]1CCCO1)[C@@H]1CCC[C@H](C1)[*:1]
CCN(C(=O)Nc1cccc(-c2ncc(C)o2)c1)[C@H]1CCS(=O)(=O)C1 Cc1cnc(o1)[*:1] CCN(C(=O)Nc1cccc(c1)[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nc2c(cc1C(=O)Nc1ncn[n-]1)CNN2C(C)C CC(C)[*:1] Cc1nc2c(cc1C(=O)Nc1ncn[n-]1)CNN2[*:1]
CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccsc1C(=O)OC COC(=O)[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccsc1[*:1]
Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc[nH]1 c1c[nH]c(c1)[*:1] Cc1c(nc2ccccc2c1C(=O)OCC(=O)[*:1])-c1ccccc1
Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc[nH]1 c1ccc(cc1)[*:1] Cc1c(nc2ccccc2c1C(=O)OCC(=O)c1ccc[nH]1)[*:1]
Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc[nH]1 O=C(C[*:1])c1ccc[nH]1 Cc1c(nc2ccccc2c1C(=O)O[*:1])-c1ccccc1
Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc[nH]1 O=C(c1ccc[nH]1)[*:1] Cc1c(nc2ccccc2c1C(=O)OC[*:1])-c1ccccc1
Cn1ncc2c1CCc1sc(NC(=O)C3CC3)nc1-2 O=C(N[*:1])C1CC1 Cn1ncc2-c3nc(sc3CCc21)[*:1]
Cn1ncc2c1CCc1sc(NC(=O)C3CC3)nc1-2 C1CC1[*:1] Cn1ncc2-c3nc(NC(=O)[*:1])sc3CCc21
C[NH+](C)[C@H](CNC(=O)NCc1ccsc1)Cc1ccccc1 c1cc(cs1)C[*:1] C[NH+](C)[C@H](CNC(=O)N[*:1])Cc1ccccc1
C[NH+](C)[C@H](CNC(=O)NCc1ccsc1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H](CNC(=O)NCc1ccsc1)[*:1]
C[NH+](C)[C@H](CNC(=O)NCc1ccsc1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)NCc1ccsc1)C[*:1]
C[NH+](C)[C@H](CNC(=O)NCc1ccsc1)Cc1ccccc1 c1cc(cs1)[*:1] C[NH+](C)[C@H](CNC(=O)NC[*:1])Cc1ccccc1
CCC[NH2+][C@@H]([C@@H]1COCCO1)[C@H]1CCCc2cccnc21 C1CO[C@@H](CO1)[*:1] CCC[NH2+][C@@H]([C@H]1CCCc2cccnc21)[*:1]
CCC[NH2+][C@@H]([C@@H]1COCCO1)[C@H]1CCCc2cccnc21 CCC[*:1] c1cnc2c(c1)CCC[C@@H]2[C@@H]([NH2+][*:1])[C@@H]1COCCO1
CC1=C([C@H](NC(=O)[C@@H]2C=C(c3ccccc3)NN2C)C(=O)[O-])[C@@H](C)N=N1 O=C([O-])[*:1] CC1N=N[C@H](C)C=1[C@H](NC(=O)[C@@H]1C=C(NN1C)c1ccccc1)[*:1]
CC1=C([C@H](NC(=O)[C@@H]2C=C(c3ccccc3)NN2C)C(=O)[O-])[C@@H](C)N=N1 c1ccc(cc1)[*:1] CC1N=N[C@H](C)C=1[C@H](NC(=O)[C@@H]1C=C(NN1C)[*:1])C(=O)[O-]
C[C@H](C(=O)NC[C@@H](C)Oc1ccccc1F)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](C(=O)NC[C@@H](C)Oc1ccccc1F)[*:1]
C[C@H](C(=O)NC[C@@H](C)Oc1ccccc1F)c1cccc(F)c1 Fc1ccccc1[*:1] C[C@H](C(=O)NC[C@@H](C)O[*:1])c1cccc(F)c1
O=C(OC[C@@H]1CCCCO1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 O=C(OC[C@@H]1CCCCO1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(OC[C@@H]1CCCCO1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 C1CC[C@H](OC1)[*:1] O=C(OC[*:1])[C@@H]1CC(=O)N(Cc2ccccn2)C1
O=C(OC[C@@H]1CCCCO1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(OC[C@@H]1CCCCO1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(OC[C@@H]1CCCCO1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 C1CC[C@@H](C[*:1])OC1 O=C(O[*:1])[C@@H]1CC(=O)N(Cc2ccccn2)C1
CCC1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 c1csc(c1)[*:1] CCC1(CC1)CNC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CCC1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 CCC1(CC1)[*:1] O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[*:1]
CCC1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 CCC1(CC1)C[*:1] O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[*:1]
C[C@@H](NC(=O)Nc1cncc2ccccc12)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@@H](NC(=O)Nc1cncc2ccccc12)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C[*:1])C(=O)[O-]
Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(F)c1)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C([O-])[C@H](Cc1cccc(F)c1)NS(=O)(=O)[*:1]
Cc1ccc([C@](O)(CC(=O)N2CCC[C@@H]2C2CCC2)C(F)(F)F)o1 C1CC(C1)[*:1] Cc1ccc(o1)[C@](O)(CC(=O)N1CCC[C@H]1[*:1])C(F)(F)F
Cc1ccc([C@](O)(CC(=O)N2CCC[C@@H]2C2CCC2)C(F)(F)F)o1 Cc1ccc(o1)[*:1] O=C(C[C@@](O)(C(F)(F)F)[*:1])N1CCC[C@@H]1C1CCC1
Cc1ccc([C@](O)(CC(=O)N2CCC[C@@H]2C2CCC2)C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@](O)(CC(=O)N1CCC[C@@H]1C1CCC1)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 CC[S@](=O)[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
O=c1c(=O)n(-c2ccc(Br)cc2)ccn1Cc1ccccc1Cl Brc1ccc(cc1)[*:1] O=c1c(=O)n(ccn1Cc1ccccc1Cl)[*:1]
O=c1c(=O)n(-c2ccc(Br)cc2)ccn1Cc1ccccc1Cl Clc1ccccc1[*:1] O=c1c(=O)n(ccn1C[*:1])-c1ccc(Br)cc1
CC(C)=CC[C@@]1(CO)CCCN(C(=O)c2ccc(N(C)CCO)cc2)C1 CC(C)=C[*:1] CN(CCO)c1ccc(cc1)C(=O)N1CCC[C@@](CO)(C1)C[*:1]
CC(C)=CC[C@@]1(CO)CCCN(C(=O)c2ccc(N(C)CCO)cc2)C1 CC(C)=CC[*:1] CN(CCO)c1ccc(cc1)C(=O)N1CCC[C@](CO)(C1)[*:1]
CC(C)=CC[C@@]1(CO)CCCN(C(=O)c2ccc(N(C)CCO)cc2)C1 OCC[*:1] CC(C)=CC[C@@]1(CO)CCCN(C1)C(=O)c1ccc(cc1)N(C)[*:1]
CC(C)=CC[C@@]1(CO)CCCN(C(=O)c2ccc(N(C)CCO)cc2)C1 CN(CCO)[*:1] CC(C)=CC[C@@]1(CO)CCCN(C1)C(=O)c1ccc(cc1)[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])c1ncccc1C(F)(F)F
O=C(Nc1nnc(C(F)(F)F)s1)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1nnc(s1)C(F)(F)F)c1ncccc1[*:1]
Cc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)c2cccc([N+](=O)[O-])c2)cc1 Cc1ccc(cc1)C(=O)N[*:1] Cc1ccc(cc1)C(=O)NC(c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)c2cccc([N+](=O)[O-])c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NC(NC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
Cc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)NC(NC(=O)c1ccc(C)cc1)c1cccc(c1)[*:1]
Cc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)NC(NC(=O)c1ccc(C)cc1)[*:1]
Cc1nc(-c2cccc(NC(=O)NCc3nnc(C)n3C)c2)oc1C Cc1nnc(n1C)[*:1] Cc1nc(oc1C)-c1cccc(c1)NC(=O)NC[*:1]
Cc1nc(-c2cccc(NC(=O)NCc3nnc(C)n3C)c2)oc1C Cc1nc(oc1C)[*:1] Cc1nnc(CNC(=O)Nc2cccc(c2)[*:1])n1C
Cc1nc(-c2cccc(NC(=O)NCc3nnc(C)n3C)c2)oc1C Cc1nnc(C[*:1])n1C Cc1nc(oc1C)-c1cccc(c1)NC(=O)N[*:1]
CC1(C)[C@@H](CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC1(C)[C@@H](CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)[C@@H]1[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)NCC1CC1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)NCC1CC1
C[C@H](Cc1cccs1)N(C)C(=O)NCC1CC1 C1CC1[*:1] C[C@H](Cc1cccs1)N(C)C(=O)NC[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)NCC1CC1 C1CC1C[*:1] C[C@H](Cc1cccs1)N(C)C(=O)N[*:1]
COC(=O)CN(C(=O)c1ccc(Cl)cc1)n1c(C)ccc1C COC(=O)[*:1] Cc1ccc(C)n1N(C[*:1])C(=O)c1ccc(Cl)cc1
COC(=O)CN(C(=O)c1ccc(Cl)cc1)n1c(C)ccc1C COC(=O)C[*:1] Cc1ccc(C)n1N(C(=O)c1ccc(Cl)cc1)[*:1]
COC(=O)CN(C(=O)c1ccc(Cl)cc1)n1c(C)ccc1C Clc1ccc(cc1)[*:1] COC(=O)CN(C(=O)[*:1])n1c(C)ccc1C
O[C@@H](CN[C@@H]1CCOc2ccc(Br)cc21)c1ccncc1 c1cc(ccn1)[*:1] O[C@@H](CN[C@@H]1CCOc2ccc(Br)cc21)[*:1]
C=CCOc1c(CN2C[C@H](C)O[C@H](CC)C2)c(C)nn1C C=CCO[*:1] CC[C@@H]1CN(Cc2c(C)nn(C)c2[*:1])C[C@H](C)O1
C=CCOc1c(CN2C[C@H](C)O[C@H](CC)C2)c(C)nn1C C=CC[*:1] CC[C@@H]1CN(Cc2c(C)nn(C)c2O[*:1])C[C@H](C)O1
CC(C)n1cc(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)[*:1])[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1
CC(C)n1cc(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)cn1 CC(C)n1cc(cn1)[*:1] O=C(N[*:1])[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1
CC(C)n1cc(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)cn1 c1ccc(cc1)[*:1] CC(C)n1cc(cn1)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[*:1]
Cc1nn(CC(=O)N(C)CCOCC2CC2)c(=O)c2ccccc12 C1CC1COC[*:1] Cc1nn(CC(=O)N(C)C[*:1])c(=O)c2ccccc12
Cc1nn(CC(=O)N(C)CCOCC2CC2)c(=O)c2ccccc12 C1CC1[*:1] Cc1nn(CC(=O)N(C)CCOC[*:1])c(=O)c2ccccc12
Cc1nn(CC(=O)N(C)CCOCC2CC2)c(=O)c2ccccc12 C1CC1C[*:1] Cc1nn(CC(=O)N(C)CCO[*:1])c(=O)c2ccccc12
Cc1nn(CC(=O)N(C)CCOCC2CC2)c(=O)c2ccccc12 C(C[*:1])OCC1CC1 Cc1nn(CC(=O)N(C)[*:1])c(=O)c2ccccc12
Cc1nn(CC(=O)N(C)CCOCC2CC2)c(=O)c2ccccc12 C1CC1CO[*:1] Cc1nn(CC(=O)N(C)CC[*:1])c(=O)c2ccccc12
CCCNC(=S)N(C)CCc1ccccn1 CCC[*:1] CN(CCc1ccccn1)C(=S)N[*:1]
COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1cccc(c1)[N+](=O)[O-]
COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
CC(C)C[C@]1(C)NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O CC(C)C[*:1] C[C@@]1(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O)[*:1]
CC(C)C[C@]1(C)NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O CC(C)[*:1] C[C@@]1(C[*:1])NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O
COCc1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C CC(C)[*:1] COCc1nc2ccccc2n1CCOc1cc(C)ccc1[*:1]
COCc1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C COC[*:1] Cc1ccc(c(c1)OCCn1c(nc2ccccc21)[*:1])C(C)C
O=C(CSc1ccccc1Cl)Nc1ccc(Cl)cc1NC(=O)c1ccco1 Clc1ccccc1SC[*:1] O=C(Nc1cc(Cl)ccc1NC(=O)[*:1])c1ccco1
O=C(CSc1ccccc1Cl)Nc1ccc(Cl)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 O=C(CSc1ccccc1Cl)Nc1ccc(Cl)cc1[*:1]
O=C(CSc1ccccc1Cl)Nc1ccc(Cl)cc1NC(=O)c1ccco1 Clc1ccccc1S[*:1] O=C(C[*:1])Nc1ccc(Cl)cc1NC(=O)c1ccco1
O=C(CSc1ccccc1Cl)Nc1ccc(Cl)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] O=C(CSc1ccccc1Cl)Nc1ccc(Cl)cc1NC(=O)[*:1]
O=C(CSc1ccccc1Cl)Nc1ccc(Cl)cc1NC(=O)c1ccco1 Clc1ccccc1[*:1] O=C(CS[*:1])Nc1ccc(Cl)cc1NC(=O)c1ccco1
O=C(NCc1ccnc(OCC2CC2)c1)[C@H]1CCCC[C@@H]1C(F)(F)F C1CC1CO[*:1] O=C(NCc1ccnc(c1)[*:1])[C@H]1CCCC[C@@H]1C(F)(F)F
O=C(NCc1ccnc(OCC2CC2)c1)[C@H]1CCCC[C@@H]1C(F)(F)F C1CC1C[*:1] O=C(NCc1ccnc(c1)O[*:1])[C@H]1CCCC[C@@H]1C(F)(F)F
O=C(NCc1ccnc(OCC2CC2)c1)[C@H]1CCCC[C@@H]1C(F)(F)F FC(F)(F)[*:1] O=C(NCc1ccnc(c1)OCC1CC1)[C@H]1CCCC[C@H]1[*:1]
O=C(NCc1ccnc(OCC2CC2)c1)[C@H]1CCCC[C@@H]1C(F)(F)F C1CC1[*:1] O=C(NCc1ccnc(c1)OC[*:1])[C@H]1CCCC[C@@H]1C(F)(F)F
CCn1cnc2sc(C(=O)Oc3ccc(Br)cc3)c(C)c2c1=O Brc1ccc(cc1)[*:1] CCn1cnc2sc(C(=O)O[*:1])c(C)c2c1=O
COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c([N+](=O)[O-])cc1OC c1ccc(cc1)[*:1] COc1cc(/C=N/c2c(C)n(C)n(c2=O)[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(cc1OC)[*:1]
Cc1nsc(N2CCCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)n1 Cc1nsc(n1)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N1CCCN(CC1)[*:1]
Cc1nsc(N2CCCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)n1 Fc1cccc(c1)[*:1] Cc1nsc(n1)N1CCCN(CC1)C(=O)C[C@H](O)[*:1]
C[C@@H](Sc1ccc(Br)cc1N)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](Sc1ccc(Br)cc1N)[*:1]
Cc1noc([C@H](NC(=O)Nc2ccc(Oc3cccnc3)nc2)C(C)C)n1 CC(C)[*:1] Cc1noc(n1)[C@H](NC(=O)Nc1ccc(nc1)Oc1cccnc1)[*:1]
Cc1noc([C@H](NC(=O)Nc2ccc(Oc3cccnc3)nc2)C(C)C)n1 c1cncc(c1)[*:1] Cc1noc(n1)[C@H](NC(=O)Nc1ccc(nc1)O[*:1])C(C)C
Cc1noc([C@H](NC(=O)Nc2ccc(Oc3cccnc3)nc2)C(C)C)n1 c1cncc(c1)O[*:1] Cc1noc(n1)[C@H](NC(=O)Nc1ccc(nc1)[*:1])C(C)C
Cc1noc([C@H](NC(=O)Nc2ccc(Oc3cccnc3)nc2)C(C)C)n1 Cc1noc(n1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(nc1)Oc1cccnc1)[*:1]
Cc1nccn1-c1ccc(NC(=O)Cn2ncc(N3CCCC3)cc2=O)cc1 Cc1nccn1[*:1] O=C(Cn1ncc(cc1=O)N1CCCC1)Nc1ccc(cc1)[*:1]
Cc1nccn1-c1ccc(NC(=O)Cn2ncc(N3CCCC3)cc2=O)cc1 C1CCN(C1)[*:1] Cc1nccn1-c1ccc(cc1)NC(=O)Cn1ncc(cc1=O)[*:1]
N#Cc1cccc(NNC(=O)NCCC(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] N#Cc1cccc(c1)NNC(=O)NCCC(=O)N[*:1]
CC[C@H](C)c1noc([C@H]2C=C[C@@H]([NH3+])C2)n1 CC[C@H](C)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)c1nc(no1)[*:1]
NS(=O)(=O)c1ccccc1NC(=O)CCl O=C(CCl)N[*:1] NS(=O)(=O)c1ccccc1[*:1]
NS(=O)(=O)c1ccccc1NC(=O)CCl NS(=O)(=O)[*:1] O=C(CCl)Nc1ccccc1[*:1]
O=C(Nc1ccc(OCCc2ccccc2)cc1)C1CC[NH2+]CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)OCC[*:1])C1CC[NH2+]CC1
O=C(Nc1ccc(OCCc2ccccc2)cc1)C1CC[NH2+]CC1 c1ccc(cc1)CC[*:1] O=C(Nc1ccc(cc1)O[*:1])C1CC[NH2+]CC1
O=C(Nc1ccc(OCCc2ccccc2)cc1)C1CC[NH2+]CC1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)OC[*:1])C1CC[NH2+]CC1
CCC[C@@H]([NH3+])CCCc1cccc(O)c1 CCC[*:1] [NH3+][C@@H](CCCc1cccc(O)c1)[*:1]
COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 c1ccc(cc1)[*:1] COC(=O)C1=C(CN2CCC(CC2)C[*:1])NC(=O)N[C@H]1c1cccs1
COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 c1ccc(cc1)C[*:1] COC(=O)C1=C(CN2CCC(CC2)[*:1])NC(=O)N[C@H]1c1cccs1
COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 COC(=O)[*:1] O=C1NC(CN2CCC(CC2)Cc2ccccc2)=C([C@@H](N1)c1cccs1)[*:1]
COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 c1csc(c1)[*:1] COC(=O)C1=C(CN2CCC(CC2)Cc2ccccc2)NC(=O)N[C@@H]1[*:1]
Cc1ccc(-c2nn3c(=O)cc(CNC(=O)c4ccc(Cl)cc4)nc3s2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1cc(=O)n2nc(sc2n1)[*:1])c1ccc(Cl)cc1
Cc1ccc(-c2nn3c(=O)cc(CNC(=O)c4ccc(Cl)cc4)nc3s2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nn2c(=O)cc(CNC(=O)[*:1])nc2s1
C[C@H]1C[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] C[C@H]1C[C@H]1C(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
CC[C@](C)([C@@H](O)Cc1ccc(F)cc1Cl)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@](C)([C@@H](O)Cc1ccc(F)cc1Cl)[*:1]
CC[NH2+]C[C@@H](c1cccs1)[C@H](C)CC CC[C@@H](C)[*:1] CC[NH2+]C[C@@H](c1cccs1)[*:1]
O=C([C@H]1COc2ccccc2O1)N1CCC(Cn2ccc3cccnc32)CC1 c1cnc2c(c1)ccn2[*:1] O=C([C@H]1COc2ccccc2O1)N1CCC(CC1)C[*:1]
CCN1CCN(C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)CC1 Cc1cc(C)n(n1)[*:1] CCN1CCN(CC1)C(=O)c1nc(ccc1Cl)[*:1]
Cc1cc(C)cc(CNc2ccc(-n3ncn(C)c3=O)cc2)c1 Cn1cnn(c1=O)[*:1] Cc1cc(C)cc(c1)CNc1ccc(cc1)[*:1]
CCC(CC)(NC(=O)NC[C@H](C)[NH+]1CCCCC1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)NC[C@H](C)[NH+]1CCCCC1)[*:1]
COC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 COC[*:1] C[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1Cl)[*:1]
COC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 COC[C@@H](C)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1Cl
COC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 Clc1ccccc1[*:1] COC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc([C@H](C)[S@@](=O)Cc2cc(=O)n3ccccc3n2)c1 Cc1cccc(c1)[*:1] C[C@H]([S@@](=O)Cc1cc(=O)n2ccccc2n1)[*:1]
CC(C)(C)c1nc(NCCO)c2nnn(Cc3ccccc3)c2n1 c1ccc(cc1)C[*:1] CC(C)(C)c1nc(NCCO)c2nnn(c2n1)[*:1]
CC(C)(C)c1nc(NCCO)c2nnn(Cc3ccccc3)c2n1 CC(C)(C)[*:1] OCCNc1nc(nc2c1nnn2Cc1ccccc1)[*:1]
CC(C)(C)c1nc(NCCO)c2nnn(Cc3ccccc3)c2n1 OCCN[*:1] CC(C)(C)c1nc(c2nnn(Cc3ccccc3)c2n1)[*:1]
CC(C)(C)c1nc(NCCO)c2nnn(Cc3ccccc3)c2n1 c1ccc(cc1)[*:1] CC(C)(C)c1nc(NCCO)c2nnn(C[*:1])c2n1
CC(C)(C)c1nc(NCCO)c2nnn(Cc3ccccc3)c2n1 OCC[*:1] CC(C)(C)c1nc(N[*:1])c2nnn(Cc3ccccc3)c2n1
COC(=O)[C@H](NC(=O)Cn1ccc2ccccc21)c1ccc(F)cc1F COC(=O)[*:1] O=C(Cn1ccc2ccccc21)N[C@H](c1ccc(F)cc1F)[*:1]
COC(=O)[C@H](NC(=O)Cn1ccc2ccccc21)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)[C@H](NC(=O)Cn1ccc2ccccc21)[*:1]
CC1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c1ccccc1)[*:1]
CC1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)[*:1])C(C)C
C[C@@H](Nc1oc(COc2ccccc2)nc1C#N)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1oc(COc2ccccc2)nc1C#N)[*:1]
C[C@@H](Nc1oc(COc2ccccc2)nc1C#N)c1ccccc1 C[C@@H](c1ccccc1)[*:1] N#Cc1nc(COc2ccccc2)oc1N[*:1]
C[C@@H](Nc1oc(COc2ccccc2)nc1C#N)c1ccccc1 c1ccc(cc1)OC[*:1] C[C@@H](Nc1oc(nc1C#N)[*:1])c1ccccc1
C[C@@H](Nc1oc(COc2ccccc2)nc1C#N)c1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](Nc1oc(C[*:1])nc1C#N)c1ccccc1
C[C@@H](Nc1oc(COc2ccccc2)nc1C#N)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1oc(CO[*:1])nc1C#N)c1ccccc1
OC1=Nc2n[nH]cc2[C@@H](c2ccc(OCCc3ccccc3)cc2)C1 c1ccc(cc1)CC[*:1] OC1C[C@H](c2ccc(cc2)O[*:1])c2c[nH]nc2N=1
OC1=Nc2n[nH]cc2[C@@H](c2ccc(OCCc3ccccc3)cc2)C1 c1ccc(cc1)C[*:1] OC1C[C@H](c2ccc(cc2)OC[*:1])c2c[nH]nc2N=1
OC1=Nc2n[nH]cc2[C@@H](c2ccc(OCCc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] OC1C[C@H](c2ccc(cc2)OCC[*:1])c2c[nH]nc2N=1
CC(C)C[NH+]1CCN(C(=O)Nc2cccc(OCCn3cccn3)c2)CC1 c1cnn(c1)C[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)Nc1cccc(c1)OC[*:1]
CC(C)C[NH+]1CCN(C(=O)Nc2cccc(OCCn3cccn3)c2)CC1 CC(C)[*:1] O=C(Nc1cccc(c1)OCCn1cccn1)N1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN(C(=O)Nc2cccc(OCCn3cccn3)c2)CC1 c1cnn(c1)[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)Nc1cccc(c1)OCC[*:1]
CC(C)C[NH+]1CCN(C(=O)Nc2cccc(OCCn3cccn3)c2)CC1 c1cnn(c1)CCO[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
CC(C)C[NH+]1CCN(C(=O)Nc2cccc(OCCn3cccn3)c2)CC1 c1cnn(c1)CC[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)Nc1cccc(c1)O[*:1]
CCCn1nc(C(=O)Nc2cc(Cl)ccc2O)ccc1=O CCC[*:1] O=C(Nc1cc(Cl)ccc1O)c1ccc(=O)n(n1)[*:1]
COc1cccc([C@@H]2CN(Cc3[nH+]ccn3C)C[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)[C@@H]1CN(Cc2[nH+]ccn2C)C[C@@H]1[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc(SCC#N)c1 CC(C)[*:1] N#CCSc1cccc(c1)C(=O)N1CCC[C@H]1c1nncn1C[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc(SCC#N)c1 N#CCS[*:1] CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc(c1)[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc(SCC#N)c1 N#CC[*:1] CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc(c1)S[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc(SCC#N)c1 CC(C)C[*:1] N#CCSc1cccc(c1)C(=O)N1CCC[C@H]1c1nncn1[*:1]
CC(C)CN(CC(C)C)C(=O)CSc1ncccc1N CC(C)C[*:1] CC(C)CN(C(=O)CSc1ncccc1N)[*:1]
CC(C)CN(CC(C)C)C(=O)CSc1ncccc1N CC(C)[*:1] CC(C)CN(C[*:1])C(=O)CSc1ncccc1N
CCOC(=O)[C@H]1CCCN(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)C1 FC(F)(F)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)c1nnn(n1)-c1ccc(cc1)O[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)C1 CCOC(=O)[*:1] O=C(c1nnn(n1)-c1ccc(cc1)OC(F)(F)F)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)C1 FC(F)(F)O[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)c1nnn(n1)-c1ccc(cc1)[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 c1cn(cn1)[*:1] Cc1ccc(c(c1)C(=O)N1CCN(CC1)C(=O)c1ccco1)[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 c1coc(c1)[*:1] Cc1ccc(c(c1)C(=O)N1CCN(CC1)C(=O)[*:1])-n1ccnc1
CCCN1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 c1nnnn1[*:1] CCCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CCCN1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 CCC[*:1] O=S(=O)(c1ccc(cc1)-n1cnnn1)N1CCN(CC1)[*:1]
COc1cc(C(=O)[O-])cc2c1OC1(C=C2)C=Cc2cc(C(=O)[O-])cc(OC)c2O1 O=C([O-])[*:1] COc1cc(cc2C=CC3(C=Cc4cc(cc(OC)c4O3)[*:1])Oc21)C(=O)[O-]
C[C@]12C[C@H](NC(=S)N1c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O2 Brc1ccc(cc1)[*:1] C[C@]12C[C@H](NC(=S)N1[*:1])c1cc(ccc1O2)[N+](=O)[O-]
C[C@]12C[C@H](NC(=S)N1c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O2 O=[N+]([O-])[*:1] C[C@]12C[C@H](NC(=S)N1c1ccc(Br)cc1)c1cc(ccc1O2)[*:1]
C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1[*:1]
C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1 C=CCOC(=O)[*:1] CC1Nc2ncnn2[C@H](C=1[*:1])c1ccccc1
C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1 C=CC[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)O[*:1])c1ccccc1
C[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)N1CCc2ccccc21 O=C1CCC(=O)N1[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])C(=O)N1CCc2ccccc21
COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)c1 c1ccc2c(c[nH]c2c1)[*:1] COc1cccc(c1)-c1cnc(N)nc1[C@H]1CCCCN1C(=O)C[*:1]
COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)c1 COc1cccc(c1)[*:1] Nc1ncc(c(n1)[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12)[*:1]
COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)c1 c1ccc2c(c[nH]c2c1)C[*:1] COc1cccc(c1)-c1cnc(N)nc1[C@H]1CCCCN1C(=O)[*:1]
Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 FC(F)(F)[*:1] Cc1cc(nc(n1)SCC(=O)Nc1ccc2OCCOc2c1)[*:1]
Cn1nccc1C(=O)N1CCC(c2nnc(C[NH+](C)C)n2C2CC2)CC1 C1CC1[*:1] Cn1nccc1C(=O)N1CCC(CC1)c1nnc(C[NH+](C)C)n1[*:1]
Cn1nccc1C(=O)N1CCC(c2nnc(C[NH+](C)C)n2C2CC2)CC1 Cn1nccc1[*:1] C[NH+](C)Cc1nnc(C2CCN(CC2)C(=O)[*:1])n1C1CC1
CN(Cc1nnc(C2CC2)n1C)C(=O)CCc1cccc(Cl)c1 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)CCc1cccc(Cl)c1
CN(Cc1nnc(C2CC2)n1C)C(=O)CCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)CC[*:1]
C[C@@H]([NH3+])[C@@H](SC1COC1)c1ccccc1F C1OCC1S[*:1] C[C@@H]([NH3+])[C@@H](c1ccccc1F)[*:1]
C[C@@H]([NH3+])[C@@H](SC1COC1)c1ccccc1F C1OCC1[*:1] C[C@@H]([NH3+])[C@@H](S[*:1])c1ccccc1F
Cc1cccnc1C[C@@H](Br)c1cccc(OC(F)F)c1 FC(F)O[*:1] Cc1cccnc1C[C@@H](Br)c1cccc(c1)[*:1]
Cc1cccnc1C[C@@H](Br)c1cccc(OC(F)F)c1 FC(F)[*:1] Cc1cccnc1C[C@@H](Br)c1cccc(c1)O[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)NNc1ccccc1Cl Clc1ccccc1[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)NN[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)NNc1ccccc1Cl CN(C)C(=O)C[*:1] O=C(NNc1ccccc1Cl)Nc1ccccc1[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)NNc1ccccc1Cl CN(C)C(=O)[*:1] O=C(NNc1ccccc1Cl)Nc1ccccc1C[*:1]
Cc1cccn2c(CN3CCOC[C@@H]3C[C@H](O)c3ccco3)cnc12 c1coc(c1)[*:1] Cc1cccn2c(cnc12)CN1CCOC[C@@H]1C[C@H](O)[*:1]
Cc1cccn2c(CN3CCOC[C@@H]3C[C@H](O)c3ccco3)cnc12 O[C@H](c1ccco1)[*:1] Cc1cccn2c(cnc12)CN1CCOC[C@@H]1C[*:1]
Cc1cccn2c(CN3CCOC[C@@H]3C[C@H](O)c3ccco3)cnc12 O[C@@H](C[*:1])c1ccco1 Cc1cccn2c(cnc12)CN1CCOC[C@H]1[*:1]
C[C@H](C(=O)NC[C@@H](O)c1ccc(Cl)cc1)S(C)(=O)=O C[C@H](S(C)(=O)=O)[*:1] O=C(NC[C@@H](O)c1ccc(Cl)cc1)[*:1]
C[C@H](C(=O)NC[C@@H](O)c1ccc(Cl)cc1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](C(=O)NC[C@@H](O)c1ccc(Cl)cc1)[*:1]
O=C1c2ccccc2N[C@H](c2ccccc2C(F)(F)F)N1O FC(F)(F)[*:1] O=C1c2ccccc2N[C@H](c2ccccc2[*:1])N1O
COC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)[nH]1 COC(=O)[*:1] FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([nH]1)[*:1]
COC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)[nH]1 FC(F)(F)[*:1] COC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[*:1])[nH]1
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N[C@H](C)CCCO c1ccc(cc1)[*:1] CC(C)n1nc(cc1NC(=O)N[C@H](C)CCCO)[*:1]
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N[C@H](C)CCCO C[C@H](CCCO)[*:1] CC(C)n1nc(cc1NC(=O)N[*:1])-c1ccccc1
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N[C@H](C)CCCO OCC[*:1] CC(C)n1nc(cc1NC(=O)N[C@H](C)C[*:1])-c1ccccc1
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N[C@H](C)CCCO CC(C)[*:1] C[C@H](CCCO)NC(=O)Nc1cc(nn1[*:1])-c1ccccc1
CC(C)n1nc(-c2ccccc2)cc1NC(=O)N[C@H](C)CCCO OCCC[*:1] CC(C)n1nc(cc1NC(=O)N[C@H](C)[*:1])-c1ccccc1
C[C@H]1C[C@@H](NC(=O)[C@@H]2Cc3cc(F)ccc3O2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1[*:1])NC(=O)[C@@H]1Cc2cc(F)ccc2O1
COC(=O)c1ccc(CNC(=O)c2ccc(Br)nc2)cc1 COC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(Br)nc1
COC(=O)c1ccc(CNC(=O)c2ccc(Br)nc2)cc1 Brc1ccc(cn1)[*:1] COC(=O)c1ccc(cc1)CNC(=O)[*:1]
CCC1CCC([NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)CC1 c1ccc(nc1)[*:1] CCC1CCC(CC1)[NH+]1CCC(CC1)c1nc(no1)[*:1]
CCC1CCC([NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)CC1 CCC1CCC(CC1)[*:1] c1ccc(nc1)-c1noc(n1)C1CC[NH+](CC1)[*:1]
C[C@@H]1SCCC[C@H]1[NH2+]CCCOC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H]1SCCC[C@H]1[NH2+]CCCO[*:1]
C#Cc1cc(F)c(NC(=O)NCCCN2CCCCCC2=O)c(F)c1 O=C1CCCCCN1[*:1] C#Cc1cc(F)c(NC(=O)NCCC[*:1])c(F)c1
CC1(C)NC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1=O FC(F)(F)[*:1] CC1(C)NC(=O)N(Cc2ccc(cc2)O[*:1])C1=O
CC1(C)NC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1=O FC(F)(F)O[*:1] CC1(C)NC(=O)N(Cc2ccc(cc2)[*:1])C1=O
C=CCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)CC)c2[O-])cc1 C=CCO[*:1] CC[C@@H](C)n1c([O-])c(C(=O)c2ccc(cc2)[*:1])c(C)c(C#N)c1=O
C=CCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)CC)c2[O-])cc1 C=CC[*:1] CC[C@@H](C)n1c([O-])c(C(=O)c2ccc(cc2)O[*:1])c(C)c(C#N)c1=O
CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc(F)nc3)c2)n1 Fc1ccc(cn1)[*:1] CCOC(=O)c1ccn(n1)-c1cccc(c1)NC(=O)[*:1]
CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc(F)nc3)c2)n1 CCOC(=O)[*:1] O=C(Nc1cccc(c1)-n1ccc(n1)[*:1])c1ccc(F)nc1
O=C(CCC(=O)c1ccc(F)cc1F)N[C@@H]1C[C@H]2CCCc3cccc1c32 Fc1ccc(c(F)c1)[*:1] O=C(CCC(=O)[*:1])N[C@@H]1C[C@H]2CCCc3cccc1c32
Cc1c([C@@H]2SCC(O)=Nc3c2cnn3-c2ccc(F)cc2F)cnn1C Fc1ccc(c(F)c1)[*:1] Cc1c(cnn1C)[C@@H]1SCC(O)=Nc2c1cnn2[*:1]
Cc1c([C@@H]2SCC(O)=Nc3c2cnn3-c2ccc(F)cc2F)cnn1C Cc1c(cnn1C)[*:1] OC1CS[C@H](c2cnn(-c3ccc(F)cc3F)c2N=1)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2C[C@H]2C)c1 CC(=O)N[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1cc(ccc1F)[*:1]
Cc1ccc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)Oc1cc(F)ccc1[*:1]
Cc1ccc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)Oc1cc(F)ccc1[N+](=O)[O-]
CS[C@@H](CO)[C@H](C)NC(=O)c1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] CS[C@@H](CO)[C@H](C)NC(=O)c1cn(C)nc1[*:1]
CNC(=O)CN1CCC([NH2+]CCc2ccccc2)CC1 CNC(=O)C[*:1] c1ccc(cc1)CC[NH2+]C1CCN(CC1)[*:1]
CNC(=O)CN1CCC([NH2+]CCc2ccccc2)CC1 CNC(=O)[*:1] c1ccc(cc1)CC[NH2+]C1CCN(CC1)C[*:1]
CNC(=O)CN1CCC([NH2+]CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)CN1CCC(CC1)[NH2+]CC[*:1]
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(cc1)CC#N)[*:1]
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1)c1ccco1 N#CC[*:1] C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(cc1)[*:1])c1ccco1
Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C(=O)NC4CC4)cc3)[C@@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CC1)c1ccc(cc1)NC(=O)[C@@H]1CCC(=O)N([C@H]1c1cccs1)[*:1]
Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C(=O)NC4CC4)cc3)[C@@H]2c2cccs2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)N1C(=O)CC[C@@H](C(=O)Nc2ccc(cc2)[*:1])[C@@H]1c1cccs1
Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C(=O)NC4CC4)cc3)[C@@H]2c2cccs2)cc1 C1CC1[*:1] Cc1ccc(cc1)N1C(=O)CC[C@@H](C(=O)Nc2ccc(cc2)C(=O)N[*:1])[C@@H]1c1cccs1
Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C(=O)NC4CC4)cc3)[C@@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)CC[C@@H](C(=O)Nc2ccc(cc2)C(=O)NC2CC2)[C@H]1[*:1]
Cc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1nc(cs1)-c1ccc2OCOc2c1
Cc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)Nc1nc(cs1)[*:1]
Cc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 Cc1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1nc(cs1)-c1ccc2OCOc2c1)[*:1]
C#CCN(CC#C)C(=O)CC1(O)CCCC1 C#CC[*:1] C#CCN(C(=O)CC1(O)CCCC1)[*:1]
COc1ccc(CN[C@H]2CCN(c3ccccc3)C2=O)cc1O c1ccc(cc1)[*:1] COc1ccc(cc1O)CN[C@H]1CCN(C1=O)[*:1]
C[C@@H](NC(=O)C[S@](=O)c1cccc(F)c1)c1ccccc1 Fc1cccc(c1)[*:1] C[C@@H](NC(=O)C[S@](=O)[*:1])c1ccccc1
C[C@@H](NC(=O)C[S@](=O)c1cccc(F)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C[S@](=O)c1cccc(F)c1)[*:1]
O[C@@H](c1ccc(Cl)s1)C1([NH+]2CCCC2)CCCC1 Clc1ccc(s1)[*:1] O[C@@H](C1(CCCC1)[NH+]1CCCC1)[*:1]
Cc1ccc(NC(=O)CSCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 Cc1ccc(cc1)[*:1] O=C(CSCc1cc(=O)n2nc(sc2n1)C1CCCCC1)N[*:1]
Cc1ccc(NC(=O)CSCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)NC(=O)CSCc1cc(=O)n2nc(sc2n1)[*:1]
Cc1ccnc(NC(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)c1 Brc1ccc(o1)[*:1] Cc1ccnc(c1)NC(=O)Cc1csc(n1)NC(=O)[*:1]
Cc1ccnc(NC(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)c1 Cc1ccnc(c1)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccc(Br)o1)N[*:1]
COC[C@](C)(NC(=O)C1C[C@@H](C)O[C@H](C)C1)c1ccccc1 COC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N[C@@](C)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)C1C[C@@H](C)O[C@H](C)C1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 CC(=O)N[*:1] CN1C(=O)Cc2cc(ccc21)NS(=O)(=O)c1ccc(cc1)[*:1]
NC(=O)CCN1CCN(C(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1 NC(=O)C[*:1] O=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCN(CC1)C[*:1]
NC(=O)CCN1CCN(C(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1 NC(=O)CC[*:1] O=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCN(CC1)[*:1]
NC(=O)CCN1CCN(C(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1 C(=C/c1ccccc1)\C[*:1] NC(=O)CCN1CCN(CC1)C(=O)c1cn(nn1)[*:1]
NC(=O)CCN1CCN(C(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1 c1ccc(cc1)[*:1] NC(=O)CCN1CCN(CC1)C(=O)c1cn(CC=C[*:1])nn1
NC(=O)CCN1CCN(C(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1 C(=C[*:1])c1ccccc1 NC(=O)CCN1CCN(CC1)C(=O)c1cn(C[*:1])nn1
NC(=O)CCN1CCN(C(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1 NC(=O)[*:1] O=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCN(CC1)CC[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 C1CC1[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(c1)-c1nc(n[nH]1)[*:1]
CC(C)[C@@H](Sc1nnnn1C1CC1)C(=O)N(C)c1ccccc1 CC(C)[*:1] CN(C(=O)[C@H](Sc1nnnn1C1CC1)[*:1])c1ccccc1
CC(C)[C@@H](Sc1nnnn1C1CC1)C(=O)N(C)c1ccccc1 C1CC1[*:1] CC(C)[C@@H](Sc1nnnn1[*:1])C(=O)N(C)c1ccccc1
CC(C)[C@@H](Sc1nnnn1C1CC1)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](Sc1nnnn1C1CC1)C(=O)N(C)[*:1]
C[C@@H](CNC(=O)c1cnc([C@H]2CCCO2)s1)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@@H](CNC(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
C[C@@H](CNC(=O)c1cnc([C@H]2CCCO2)s1)Oc1ccccc1F C1CO[C@H](C1)[*:1] C[C@@H](CNC(=O)c1cnc(s1)[*:1])Oc1ccccc1F
C[C@@H](CNC(=O)c1cnc([C@H]2CCCO2)s1)Oc1ccccc1F Fc1ccccc1[*:1] C[C@@H](CNC(=O)c1cnc(s1)[C@H]1CCCO1)O[*:1]
COc1c2c(cc3c1[C@H](C#C[C@](C)(O)CCC=C(C)C)N(C)CC3)OCO2 CC(C)=CCC[*:1] COc1c2OCOc2cc2CCN(C)[C@@H](C#C[C@](C)(O)[*:1])c21
COc1c2c(cc3c1[C@H](C#C[C@](C)(O)CCC=C(C)C)N(C)CC3)OCO2 CC(C)=C[*:1] COc1c2OCOc2cc2CCN(C)[C@@H](C#C[C@](C)(O)CC[*:1])c21
COc1c2c(cc3c1[C@H](C#C[C@](C)(O)CCC=C(C)C)N(C)CC3)OCO2 CC(C)=CC[*:1] COc1c2OCOc2cc2CCN(C)[C@@H](C#C[C@](C)(O)C[*:1])c21
CCOc1ccc(NC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)c1[nH]c2ccccc2[nH+]1
CCOc1ccc(NC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)c1[nH]c2ccccc2[nH+]1
C[C@@H](SC1CCCCC1)C(=O)NC(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](SC1CCCCC1)C(=O)NC(=O)N[*:1]
C[C@@H](SC1CCCCC1)C(=O)NC(=O)NC1CCCC1 C1CCC(CC1)[*:1] C[C@@H](S[*:1])C(=O)NC(=O)NC1CCCC1
Cc1cc(C)cc(C2=CCN(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC=C(CC1)[*:1]
CCC[C@@H](C)Cn1ccc([C@H](O)C(C)C)c1 CC(C)[*:1] CCC[C@@H](C)Cn1ccc(c1)[C@H](O)[*:1]
CCC[C@@H](C)Cn1ccc([C@H](O)C(C)C)c1 CC(C)[C@@H](O)[*:1] CCC[C@@H](C)Cn1ccc(c1)[*:1]
CCC[C@@H](C)Cn1ccc([C@H](O)C(C)C)c1 CCC[*:1] CC(C)[C@@H](O)c1ccn(c1)C[C@H](C)[*:1]
CCC[C@@H](C)Cn1ccc([C@H](O)C(C)C)c1 CCC[C@@H](C)[*:1] CC(C)[C@@H](O)c1ccn(c1)C[*:1]
C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nc2sccc2c1=O C=CC[*:1] C[C@H](Sc1nc2sccc2c(=O)n1[*:1])C(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1
C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nc2sccc2c1=O Fc1ccc(cc1F)[*:1] C=CCn1c(nc2sccc2c1=O)S[C@@H](C)C(=O)Nc1nc(cs1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 CCNS(=O)(=O)[*:1] O=C(Cn1ccc(=O)c2ccccc21)N1CC[C@H](C1)[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 Clc1ccc(cc1)CS[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(s1)[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 CS(=O)(=O)[*:1] O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 Clc1ccc(cc1)C[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(S[*:1])s1
CS(=O)(=O)c1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(SC[*:1])s1
CNS(=O)(=O)c1ccc(CNC(=O)N(C[C@@H]2C[C@@H]2C)C(C)C)s1 CNS(=O)(=O)[*:1] CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCc1ccc(s1)[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)N(C[C@@H]2C[C@@H]2C)C(C)C)s1 CC(C)[*:1] CNS(=O)(=O)c1ccc(CNC(=O)N(C[C@@H]2C[C@@H]2C)[*:1])s1
CC1=CC[C@]2(CO)CO[C@@H](C(C)(C)CO)[C@H]1C2 CC(C)(CO)[*:1] CC1=CC[C@]2(CO)CO[C@@H]([C@H]1C2)[*:1]
Cc1cc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(C)o1 NS(=O)(=O)[*:1] Cc1cc(C(=O)N[C@@H](C)c2cccc(c2)[*:1])c(C)o1
Cc1cc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)S(N)(=O)=O
S=C(N/N=C/c1[nH]ncc1Br)Nc1ccccc1 Brc1cn[nH]c1[*:1] S=C(NN=C[*:1])Nc1ccccc1
S=C(N/N=C/c1[nH]ncc1Br)Nc1ccccc1 c1ccc(cc1)[*:1] S=C(N/N=C/c1[nH]ncc1Br)N[*:1]
C[C@@H]1CCc2nc(NC(=O)/C=C\c3ccccc3)sc2C1 c1ccc(cc1)[*:1] C[C@@H]1CCc2nc(NC(=O)C=C[*:1])sc2C1
FC(F)(F)Oc1ccc2c(Br)c(Cl)cnc2c1 FC(F)(F)O[*:1] Clc1cnc2cc(ccc2c1Br)[*:1]
FC(F)(F)Oc1ccc2c(Br)c(Cl)cnc2c1 FC(F)(F)[*:1] Clc1cnc2cc(ccc2c1Br)O[*:1]
CCO[C@H]1COC[C@@H]1NC(=O)COc1ccc(Cl)cc1Cl CCO[*:1] O=C(COc1ccc(Cl)cc1Cl)N[C@H]1COC[C@@H]1[*:1]
O=C(CCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1ccc(Br)cc1 O=C(C[*:1])c1ccc(Br)cc1 O=C(C[*:1])N1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1
O=C(CCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1ccc(Br)cc1 O=C(c1ccc(Br)cc1)[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1
O=C(CCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1
C[C@@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 Oc1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1
C[C@@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 Oc1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1
C[C@@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@@H](CCc1ccc(O)cc1)NC(=O)C(=O)N[*:1]
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Nc1cnn(C)c1 CC(C)[*:1] Cn1cc(cn1)NC(=O)N[C@H]1CCC[C@@H]1CC[*:1]
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Nc1cnn(C)c1 Cn1cc(cn1)[*:1] CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N[*:1]
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Nc1cnn(C)c1 CC(C)CC[*:1] Cn1cc(cn1)NC(=O)N[C@H]1CCC[C@@H]1[*:1]
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Nc1cnn(C)c1 CC(C)C[*:1] Cn1cc(cn1)NC(=O)N[C@H]1CCC[C@@H]1C[*:1]
CCNC(=O)NCCOCC(F)(F)F FC(F)(F)[*:1] CCNC(=O)NCCOC[*:1]
Cn1cnnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 Cn1cnnc1S[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
Cn1cnnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 Cn1cnnc1[*:1] O=C(CS[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
Cn1cnnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 Cn1cnnc1SC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
CNC(=O)C1CCN(C(=O)c2ccccn2)CC1 CNC(=O)[*:1] O=C(c1ccccn1)N1CCC(CC1)[*:1]
CNC(=O)C1CCN(C(=O)c2ccccn2)CC1 c1ccc(nc1)[*:1] CNC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1cccc(CN(C(=O)c2cccnc2C)C(C)C)c1 Cc1cccc(c1)[*:1] Cc1ncccc1C(=O)N(C[*:1])C(C)C
Cc1cccc(CN(C(=O)c2cccnc2C)C(C)C)c1 Cc1ncccc1[*:1] Cc1cccc(c1)CN(C(=O)[*:1])C(C)C
Cc1cccc(CN(C(=O)c2cccnc2C)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)CN(C(=O)c1cccnc1C)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Oc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] C[C@@H](Oc1ccccc1)C(=O)Oc1cccc(c1)C(=O)N[*:1]
C[C@@H](Oc1ccccc1)C(=O)Oc1cccc(C(=O)NC2CC2)c1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Oc1cccc(c1)C(=O)NC1CC1
C[C@@H](Oc1ccccc1)C(=O)Oc1cccc(C(=O)NC2CC2)c1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)Oc1cccc(c1)C(=O)NC1CC1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Oc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] C[C@@H](Oc1ccccc1)C(=O)Oc1cccc(c1)[*:1]
Fc1ccc([C@@]2(c3noc(-c4cn[nH]c4)n3)CCOC2)cc1 Fc1ccc(cc1)[*:1] c1n[nH]cc1-c1nc(no1)[C@]1(CCOC1)[*:1]
Fc1ccc([C@@]2(c3noc(-c4cn[nH]c4)n3)CCOC2)cc1 c1n[nH]cc1[*:1] Fc1ccc(cc1)[C@]1(CCOC1)c1noc(n1)[*:1]
COc1cccc(CCNC(=O)[C@H]2CCCN(C(=O)NC3CC3)C2)c1 COc1cccc(c1)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)C(=O)NC1CC1
COc1cccc(CCNC(=O)[C@H]2CCCN(C(=O)NC3CC3)C2)c1 C1CC1[*:1] COc1cccc(c1)CCNC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CC[C@@H]1CCc2nc3sc(C(=O)NCc4ccccc4)c(N)c3cc2C1 c1ccc(cc1)C[*:1] CC[C@@H]1CCc2nc3sc(C(=O)N[*:1])c(N)c3cc2C1
CC[C@@H]1CCc2nc3sc(C(=O)NCc4ccccc4)c(N)c3cc2C1 c1ccc(cc1)[*:1] CC[C@@H]1CCc2nc3sc(C(=O)NC[*:1])c(N)c3cc2C1
O=C1CN(C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)c2ccccc2N1 c1ccc(cc1)[*:1] O=C1CN(C(=O)CSc2nnc(c3ccccc23)[*:1])c2ccccc2N1
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 Cn1cc(cn1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)N1CC[C@@H](C1)[NH+]1CCCC1
Cc1ccc(C[NH+](C)CC(C)(CO)CO)c(Br)c1 CC(CO)(CO)[*:1] Cc1ccc(C[NH+](C)C[*:1])c(Br)c1
CC[C@@](C)(C#N)NC(=O)c1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@@](C)(C#N)NC(=O)c1ccn(n1)[*:1]
CC[C@H](NC(=O)NCc1cc(C#N)ccc1F)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)NCc1cc(C#N)ccc1F)[*:1]
COc1cccc(CNc2cc(C)nc3nc(-c4ccco4)nn23)c1 COc1cccc(c1)[*:1] Cc1cc(NC[*:1])n2nc(nc2n1)-c1ccco1
COc1cccc(CNc2cc(C)nc3nc(-c4ccco4)nn23)c1 c1coc(c1)[*:1] COc1cccc(c1)CNc1cc(C)nc2nc(nn12)[*:1]
CC(C)N(C)C(=O)C1CC[NH+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 CC(C)N(C)C(=O)[*:1] O=C1CN(C(=O)C[NH+]2CCC(CC2)[*:1])c2ccccc2N1
CC(C)N(C)C(=O)C1CC[NH+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 CC(C)[*:1] CN(C(=O)C1CC[NH+](CC1)CC(=O)N1CC(=O)Nc2ccccc21)[*:1]
CCc1nn(C)cc1C(=O)[C@@H](C#N)c1nc(C)cs1 Cc1csc(n1)[*:1] CCc1nn(C)cc1C(=O)[C@@H](C#N)[*:1]
CC[C@@H](C(=O)N1CCC[C@@H](O)C1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCC[C@@H](O)C1)[*:1]
CCC(CC)(CO)NC(=O)Nc1cccc(-c2nnco2)c1 c1nnc(o1)[*:1] CCC(CC)(CO)NC(=O)Nc1cccc(c1)[*:1]
CCC(CC)(CO)NC(=O)Nc1cccc(-c2nnco2)c1 CCC(CC)(CO)[*:1] O=C(Nc1cccc(c1)-c1nnco1)N[*:1]
COC(=O)[C@@H](C)Sc1ccc(NC(=O)c2ccc(C)cc2)nn1 COC(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(nn1)S[C@H](C)[*:1]
COC(=O)[C@@H](C)Sc1ccc(NC(=O)c2ccc(C)cc2)nn1 Cc1ccc(cc1)[*:1] COC(=O)[C@@H](C)Sc1ccc(nn1)NC(=O)[*:1]
O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1cccc(Cl)c1 c1csc(c1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])Nc1cccc(Cl)c1
O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NC[C@H](c1cccs1)N1CCOCC1)N[*:1]
O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1cccc(Cl)c1 C1CN(CCO1)[*:1] O=C(NC[C@H](c1cccs1)[*:1])Nc1cccc(Cl)c1
CSc1cccc(NC(=O)C(=O)NCC[C@@H](O)c2cccs2)c1 c1csc(c1)[*:1] CSc1cccc(c1)NC(=O)C(=O)NCC[C@@H](O)[*:1]
COc1nccnc1N1CCC[C@@H](N2CCCC2=O)C1 O=C1CCCN1[*:1] COc1nccnc1N1CCC[C@@H](C1)[*:1]
COC(=O)[C@@]1(NC(C)C)CC[C@H](SC)C1 COC(=O)[*:1] CS[C@H]1CC[C@@](C1)(NC(C)C)[*:1]
COC(=O)[C@@]1(NC(C)C)CC[C@H](SC)C1 CC(C)[*:1] COC(=O)[C@]1(CC[C@@H](C1)SC)N[*:1]
COC(=O)[C@@]1(NC(C)C)CC[C@H](SC)C1 CC(C)N[*:1] COC(=O)[C@]1(CC[C@@H](C1)SC)[*:1]
CC[NH2+][C@H](c1ccc(Cl)cn1)[C@H]1CCCc2cccnc21 Clc1ccc(nc1)[*:1] CC[NH2+][C@H]([C@H]1CCCc2cccnc21)[*:1]
COc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1)[*:1]
COc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 Clc1ccc(cc1)[*:1] COc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)[*:1])c(c1)OC
C[C@H](Sc1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@H](Sc1ccc(Cl)cc1)c1nnc(o1)[*:1]
C[C@H](Sc1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 Clc1ccc(cc1)[*:1] C[C@H](S[*:1])c1nnc(o1)-c1ccccc1
CCCc1cc(-n2ccc(C(=O)[O-])n2)nc(C(C)C)n1 CC(C)[*:1] CCCc1cc(nc(n1)[*:1])-n1ccc(n1)C(=O)[O-]
CCCc1cc(-n2ccc(C(=O)[O-])n2)nc(C(C)C)n1 O=C([O-])[*:1] CCCc1cc(nc(n1)C(C)C)-n1ccc(n1)[*:1]
CCCc1cc(-n2ccc(C(=O)[O-])n2)nc(C(C)C)n1 CCC[*:1] CC(C)c1nc(cc(n1)[*:1])-n1ccc(n1)C(=O)[O-]
CCNC(=O)c1ccc(CNC(=O)N2CCc3sccc3[C@@H]2CC)cc1 CCNC(=O)[*:1] CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccc(cc1)[*:1]
Cc1cccc(-c2cc(NC(=O)c3ccc(Cl)cc3Cl)[nH]n2)c1 Cc1cccc(c1)[*:1] O=C(Nc1cc(n[nH]1)[*:1])c1ccc(Cl)cc1Cl
CO[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 CO[C@@H](C)[*:1] C[C@@H](NC(=O)[*:1])c1ccc2ccccc2c1
Cc1ccc(C)c(NCC(=O)N2CCC[C@H]2c2cccs2)c1 c1csc(c1)[*:1] Cc1ccc(C)c(c1)NCC(=O)N1CCC[C@@H]1[*:1]
CCCNC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1Br CCCNC(=O)[*:1] O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1[*:1]
CCCNC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1Br CCC[*:1] O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1C(=O)N[*:1]
CN(C)c1ncccc1N(C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CN(C)c1ncccc1N(C)C(=O)[C@H]1C[C@@H]1[*:1]
CN(C)c1ncccc1N(C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 CN(C)[*:1] CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cccnc1[*:1]
CCCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 O=C(N[*:1])C1CC1 CCCOc1ccc(NC(=O)c2ccc(cc2)[*:1])c(C)c1
CCCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 CCC[*:1] Cc1cc(ccc1NC(=O)c1ccc(cc1)NC(=O)C1CC1)O[*:1]
CCCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 CCCO[*:1] Cc1cc(ccc1NC(=O)c1ccc(cc1)NC(=O)C1CC1)[*:1]
CCCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 C1CC1[*:1] CCCOc1ccc(NC(=O)c2ccc(cc2)NC(=O)[*:1])c(C)c1
Cn1cc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)cn1 C1CN(CCO1)[*:1] Cn1cc(cn1)CNC(=O)N1CCC[C@H]1C[*:1]
Cn1cc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)cn1 Cn1cc(cn1)C[*:1] O=C(N[*:1])N1CCC[C@H]1CN1CCOCC1
Cn1cc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)cn1 C1CN(CCO1)C[*:1] Cn1cc(cn1)CNC(=O)N1CCC[C@@H]1[*:1]
Cn1cc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)cn1 Cn1cc(cn1)[*:1] O=C(NC[*:1])N1CCC[C@H]1CN1CCOCC1
Cc1cccc(C)c1N[C@H](C)C(=O)N/N=C/c1c[nH]c2ccccc12 Cc1cccc(C)c1[*:1] C[C@@H](N[*:1])C(=O)N/N=C/c1c[nH]c2ccccc12
CCC(C)(C)[NH+](C)CCCN1C(=O)c2ccccc2C1=O CCC(C)(C)[*:1] C[NH+](CCCN1C(=O)c2ccccc2C1=O)[*:1]
CC(C)(C)NC(=O)NC(=O)CCSc1nccc(C(F)(F)F)n1 FC(F)(F)[*:1] CC(C)(C)NC(=O)NC(=O)CCSc1nccc(n1)[*:1]
CC(C)(C)NC(=O)NC(=O)CCSc1nccc(C(F)(F)F)n1 CC(C)(C)[*:1] O=C(CCSc1nccc(n1)C(F)(F)F)NC(=O)N[*:1]
CCCS(=O)(=O)CC(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl CCCS(=O)(=O)C[*:1] C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[*:1]
CCCS(=O)(=O)CC(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl CCC[*:1] C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)CS(=O)(=O)[*:1]
CCCS(=O)(=O)CC(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl CCCS(=O)(=O)[*:1] C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C[*:1]
C[NH2+][C@@]1(CO)CCC[C@H](Sc2nncs2)C1 c1nnc(s1)[*:1] C[NH2+][C@@]1(CO)CCC[C@@H](C1)S[*:1]
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCC1(O)CCCCC1)C2=O OC1(CCCCC1)[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)C(=O)NC[*:1]
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCC1(O)CCCCC1)C2=O OC1(CCCCC1)C[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)C(=O)N[*:1]
CN(CC(=O)Nc1ccccc1Br)C(=O)C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 Brc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)C[NH+]1CCN(CC1)Cc1cccc(Cl)c1
CN(CC(=O)Nc1ccccc1Br)C(=O)C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 O=C(Nc1ccccc1Br)[*:1] CN(C[*:1])C(=O)C[NH+]1CCN(CC1)Cc1cccc(Cl)c1
CN(CC(=O)Nc1ccccc1Br)C(=O)C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] CN(CC(=O)Nc1ccccc1Br)C(=O)C[NH+]1CCN(CC1)[*:1]
CN(CC(=O)Nc1ccccc1Br)C(=O)C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CN(CC(=O)Nc1ccccc1Br)C(=O)C[NH+]1CCN(CC1)C[*:1]
Cc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@@H]([NH2+]CCn1cc(cn1)[*:1])C1CC1
Cc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]([NH2+]CCn1cc(cn1)[N+](=O)[O-])[*:1]
Cc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1cnn(c1)CC[NH2+][C@@H](C1CC1)[*:1]
C[NH2+]C(C)(C)C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[NH2+]C(C)(C)C(=O)N[C@H]1CCCCC[C@H]1[*:1]
C[NH2+][C@H](c1ccc(OC)c(OC)c1)C1(C)CCCC1 CC1(CCCC1)[*:1] C[NH2+][C@H](c1ccc(OC)c(c1)OC)[*:1]
COc1cc(CNC(=O)Cc2ccc(-n3cccc3)cc2)ccn1 c1ccn(c1)[*:1] COc1cc(ccn1)CNC(=O)Cc1ccc(cc1)[*:1]
COc1cc(CNC(=O)Cc2ccc(-n3cccc3)cc2)ccn1 COc1cc(ccn1)[*:1] O=C(Cc1ccc(cc1)-n1cccc1)NC[*:1]
CC(C)CC[NH+]1CCN(C(=O)c2nc(C3CC3)n[n-]2)CC1 CC(C)[*:1] O=C(c1nc(n[n-]1)C1CC1)N1CC[NH+](CC1)CC[*:1]
CC(C)CC[NH+]1CCN(C(=O)c2nc(C3CC3)n[n-]2)CC1 CC(C)C[*:1] O=C(c1nc(n[n-]1)C1CC1)N1CC[NH+](CC1)C[*:1]
CC(C)CC[NH+]1CCN(C(=O)c2nc(C3CC3)n[n-]2)CC1 C1CC1[*:1] CC(C)CC[NH+]1CCN(CC1)C(=O)c1nc(n[n-]1)[*:1]
CC(C)CC[NH+]1CCN(C(=O)c2nc(C3CC3)n[n-]2)CC1 CC(C)CC[*:1] O=C(c1nc(n[n-]1)C1CC1)N1CC[NH+](CC1)[*:1]
COc1ccc(CNC(=O)COc2cccnc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)CNC(=O)COc1cccnc1[*:1]
CCCN1C(=O)c2ccc(C(=O)Nc3ccc(OCC(=O)[O-])cc3C)cc2C1=O O=C([O-])C[*:1] CCCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(cc1C)O[*:1]
CCCN1C(=O)c2ccc(C(=O)Nc3ccc(OCC(=O)[O-])cc3C)cc2C1=O O=C([O-])[*:1] CCCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(cc1C)OC[*:1]
CCCN1C(=O)c2ccc(C(=O)Nc3ccc(OCC(=O)[O-])cc3C)cc2C1=O O=C([O-])CO[*:1] CCCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(cc1C)[*:1]
CCCN1C(=O)c2ccc(C(=O)Nc3ccc(OCC(=O)[O-])cc3C)cc2C1=O CCC[*:1] Cc1cc(ccc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])OCC(=O)[O-]
Cc1cc(NC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)sn1 Cc1cc(sn1)[*:1] O=C(N[*:1])C1CN(C1)C(=O)c1ccc(o1)[N+](=O)[O-]
Cc1cc(NC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)sn1 O=[N+]([O-])[*:1] Cc1cc(NC(=O)C2CN(C2)C(=O)c2ccc(o2)[*:1])sn1
CN(Cc1cccc(NC(=O)/C=C/C2CC2)c1)C(=O)C(F)(F)F C1CC1[*:1] CN(Cc1cccc(c1)NC(=O)C=C[*:1])C(=O)C(F)(F)F
CN(Cc1cccc(NC(=O)/C=C/C2CC2)c1)C(=O)C(F)(F)F C(=C[*:1])C1CC1 CN(Cc1cccc(c1)NC(=O)[*:1])C(=O)C(F)(F)F
CN(Cc1cccc(NC(=O)/C=C/C2CC2)c1)C(=O)C(F)(F)F FC(F)(F)[*:1] CN(Cc1cccc(c1)NC(=O)/C=C/C1CC1)C(=O)[*:1]
C[C@@H](C(=O)NNC(=O)NCCc1cccs1)[NH+](C)C c1csc(c1)[*:1] C[C@@H](C(=O)NNC(=O)NCC[*:1])[NH+](C)C
C[C@@H](C(=O)NNC(=O)NCCc1cccs1)[NH+](C)C c1csc(c1)C[*:1] C[C@@H](C(=O)NNC(=O)NC[*:1])[NH+](C)C
CCCC[C@H](CC)C(=O)N1CCS[C@@H]1c1cccs1 c1csc(c1)[*:1] CCCC[C@H](CC)C(=O)N1CCS[C@H]1[*:1]
CCCC[C@H](CC)C(=O)N1CCS[C@@H]1c1cccs1 CCCC[*:1] CC[C@H](C(=O)N1CCS[C@@H]1c1cccs1)[*:1]
CCCC[C@H](CC)C(=O)N1CCS[C@@H]1c1cccs1 CCC[*:1] CC[C@@H](C[*:1])C(=O)N1CCS[C@@H]1c1cccs1
C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(cc1)[*:1]
C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(NC(N)=O)cc1 Clc1ccc(cc1)[*:1] C[C@@H](C[*:1])[NH2+]Cc1ccc(cc1)NC(N)=O
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C2CC2)C1 CS(=O)(=O)[*:1] C1C[C@@H](C[C@@H](C1)[*:1])[NH2+]C1CC1
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C2CC2)C1 C1CC1[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)[NH2+][*:1]
Cc1c(CCC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cnn1C Cc1c(cnn1C)CC[*:1] O=C(Nc1cccc(c1)-c1ccc2OCCc2c1)[*:1]
Cc1c(CCC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cnn1C c1cc2OCCc2cc1[*:1] Cc1c(cnn1C)CCC(=O)Nc1cccc(c1)[*:1]
Cc1c(CCC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cnn1C Cc1c(cnn1C)[*:1] O=C(CC[*:1])Nc1cccc(c1)-c1ccc2OCCc2c1
Cc1c(CCC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cnn1C Cc1c(cnn1C)C[*:1] O=C(C[*:1])Nc1cccc(c1)-c1ccc2OCCc2c1
CCCc1cc2c(cc1OC)OC[C@@H](c1ccc3c(c1)OCCO3)C2=O CCC[*:1] COc1cc2OC[C@H](C(=O)c2cc1[*:1])c1ccc2OCCOc2c1
COc1ccc(CN(C)C(=O)NCCc2c(Cl)cccc2Cl)cc1O Clc1cccc(Cl)c1[*:1] COc1ccc(cc1O)CN(C)C(=O)NCC[*:1]
COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)[O-])cc1 c1cc2OCOc2cc1[*:1] COc1ccccc1C(=O)NC(=C[*:1])C(=O)Nc1ccc(cc1)C(=O)[O-]
COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccccc1C(=O)N/C(=C/c1ccc2OCOc2c1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)[O-])cc1 COc1ccccc1[*:1] O=C(Nc1ccc(cc1)C(=O)[O-])/C(=C\c1ccc2OCOc2c1)NC(=O)[*:1]
COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)[O-])cc1 COc1ccccc1C(=O)N[*:1] O=C(Nc1ccc(cc1)C(=O)[O-])C(=Cc1ccc2OCOc2c1)[*:1]
COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])c1ccc(cc1)[*:1] COc1ccccc1C(=O)N/C(=C/c1ccc2OCOc2c1)C(=O)N[*:1]
CN(CC(C)(C)O)C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CN(CC(C)(C)O)C(=O)N[C@H]1CC[C@H](C1)[*:1]
CN(CC(C)(C)O)C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 CC(C)(O)C[*:1] CN(C(=O)N[C@H]1CC[C@@H](C1)C(=O)[O-])[*:1]
CN(CC(C)(C)O)C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 CC(C)(O)[*:1] CN(C[*:1])C(=O)N[C@H]1CC[C@@H](C1)C(=O)[O-]
CC(C)Oc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1Cl CS(=O)(=O)[*:1] CC(C)Oc1ccc(cc1Cl)NC(=O)c1ccccc1[*:1]
CC(C)Oc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1Cl CC(C)O[*:1] CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(C)Oc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1Cl CC(C)[*:1] CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(O[*:1])c(Cl)c1
C[NH+](C)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[NH+](C)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(cc1)[*:1]
C[NH+](C)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1 c1coc(c1)[*:1] C[NH+](C)CCN1C(=O)C(=O)/C(=C(/O)[*:1])[C@H]1c1ccc(cc1)[N+](=O)[O-]
C[NH+](C)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] C[NH+](C)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1[*:1]
Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)OCC(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCC2)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)CO[*:1])[NH+]1CCCC1
Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCC2)cc1 Cc1ccc(cc1C)O[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)C[*:1])[NH+]1CCCC1
CC1(C)CCC[NH+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 O=[N+]([O-])[*:1] CC1(C)CCC[NH+]1Cc1nc(no1)-c1cccc(c1)[*:1]
CNC(=O)c1ccc(OS(=O)(=O)/C=C/c2ccccc2)cc1 CNC(=O)[*:1] O=S(=O)(/C=C/c1ccccc1)Oc1ccc(cc1)[*:1]
CNC(=O)c1ccc(OS(=O)(=O)/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)OS(=O)(=O)C=C[*:1]
O=c1c2cc(-c3ccccc3)sc2ncn1C[C@@H](O)CO OC[C@H](O)C[*:1] O=c1c2cc(sc2ncn1[*:1])-c1ccccc1
O=c1c2cc(-c3ccccc3)sc2ncn1C[C@@H](O)CO c1ccc(cc1)[*:1] O=c1c2cc(sc2ncn1C[C@@H](O)CO)[*:1]
O=C(NCC1(O)CCSCC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(NCC1(O)CCSCC1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCC1(O)CCSCC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCC1(O)CCSCC1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(NCC1(O)CCSCC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 OC1(CCSCC1)[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)CC(F)(F)F
COc1ccccc1N1C[C@@H](C(=O)[C@H](C#N)c2ccc(F)cn2)CC1=O Fc1ccc(nc1)[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)[C@H](C#N)[*:1]
COc1ccccc1N1C[C@@H](C(=O)[C@H](C#N)c2ccc(F)cn2)CC1=O COc1ccccc1[*:1] N#C[C@@H](C(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccc(F)cn1
Cc1ccc2c(Nc3cc(F)cc(F)c3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 C[C@H]1CCCCN1C(=O)[*:1] Cc1ccc2c(Nc3cc(F)cc(F)c3)c(cnc2n1)[*:1]
Cc1ccc2c(Nc3cc(F)cc(F)c3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 Fc1cc(F)cc(c1)N[*:1] Cc1ccc2c(c(cnc2n1)C(=O)N1CCCC[C@@H]1C)[*:1]
Cc1ccc2c(Nc3cc(F)cc(F)c3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 Fc1cc(F)cc(c1)[*:1] Cc1ccc2c(N[*:1])c(cnc2n1)C(=O)N1CCCC[C@@H]1C
Cc1nc(-c2c[nH]c(C(=O)N[C@H](c3ccccc3)C3CC3)c2)cs1 C1CC1[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N[C@H](c1ccccc1)[*:1]
Cc1nc(-c2c[nH]c(C(=O)N[C@H](c3ccccc3)C3CC3)c2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N[C@H](C1CC1)[*:1]
Cc1nc(-c2c[nH]c(C(=O)N[C@H](c3ccccc3)C3CC3)c2)cs1 Cc1nc(cs1)[*:1] O=C(N[C@H](c1ccccc1)C1CC1)c1cc(c[nH]1)[*:1]
CC(C)Sc1ccc(C(=O)N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 CC(C)[*:1] C[C@@H]1CN(CCOC2CCN(CC2)C(=O)c2ccc(cc2)S[*:1])C[C@@H](C)O1
CC(C)Sc1ccc(C(=O)N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 CC(C)S[*:1] C[C@@H]1CN(CCOC2CCN(CC2)C(=O)c2ccc(cc2)[*:1])C[C@@H](C)O1
CCN(C(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-])C(C)C O=C([O-])[*:1] CCN(C(=O)N1[C@H]2CCCC[C@@H]2CC[C@H]1[*:1])C(C)C
CCN(C(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-])C(C)C CC(C)[*:1] CCN(C(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-])[*:1]
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 Cn1nnnc1[*:1] C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(c1)[*:1]
C[C@@H]([C@@H](C)O)N1CCN(c2ccccc2Cl)CC1 C[C@@H](O)[*:1] C[C@@H](N1CCN(CC1)c1ccccc1Cl)[*:1]
COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(F)c2F)c(OC)c1 Fc1cccc(c1F)[*:1] COc1ccc(c(c1)OC)-n1cnc2c1N=C(O)C[C@@H]2[*:1]
CNS(=O)(=O)[C@@H]1CCOC[C@@H]1Cc1cccc(F)c1 CNS(=O)(=O)[*:1] Fc1cccc(c1)C[C@H]1COCC[C@H]1[*:1]
N#Cc1ccc(NCCOCc2ccccc2)nc1 c1ccc(cc1)[*:1] N#Cc1ccc(nc1)NCCOC[*:1]
CCOc1ccccc1Oc1ccc(CNC(=O)N(C)C2CCC2)cn1 C1CC(C1)[*:1] CCOc1ccccc1Oc1ccc(cn1)CNC(=O)N(C)[*:1]
CCOc1ccccc1Oc1ccc(CNC(=O)N(C)C2CCC2)cn1 CCO[*:1] CN(C(=O)NCc1ccc(nc1)Oc1ccccc1[*:1])C1CCC1
CCc1ccc(CN(C)C(=O)C[S@@](=O)Cc2ncc(Cl)n2C)cc1 Cn1c(Cl)cnc1[*:1] CCc1ccc(cc1)CN(C)C(=O)C[S@@](=O)C[*:1]
CCc1ccc(CN(C)C(=O)C[S@@](=O)Cc2ncc(Cl)n2C)cc1 CCc1ccc(cc1)[*:1] CN(C[*:1])C(=O)C[S@@](=O)Cc1ncc(Cl)n1C
CCc1ccc(CN(C)C(=O)C[S@@](=O)Cc2ncc(Cl)n2C)cc1 Cn1c(Cl)cnc1C[*:1] CCc1ccc(cc1)CN(C)C(=O)C[S@@](=O)[*:1]
Cc1ccc(C(=O)NC2CCN(C(=O)NCC[NH+]3CCCCC3)CC2)s1 Cc1ccc(s1)[*:1] O=C(NCC[NH+]1CCCCC1)N1CCC(CC1)NC(=O)[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)[C@@H](CO)NC(=O)Nc1cccc(c1)C[S@@](=O)[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)C[S@@](=O)c1ccccc1)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 O=[S@@](c1ccccc1)[*:1] CC(C)[C@@H](CO)NC(=O)Nc1cccc(c1)C[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 CC(C)[C@@H](CO)[*:1] O=C(Nc1cccc(c1)C[S@@](=O)c1ccccc1)N[*:1]
COCCNc1nc(Nc2ccc(C)c(C)c2)c2nccnc2n1 COC[*:1] Cc1ccc(cc1C)Nc1nc(nc2nccnc12)NC[*:1]
COCCNc1nc(Nc2ccc(C)c(C)c2)c2nccnc2n1 COCCN[*:1] Cc1ccc(cc1C)Nc1nc(nc2nccnc12)[*:1]
COCCNc1nc(Nc2ccc(C)c(C)c2)c2nccnc2n1 Cc1ccc(cc1C)[*:1] COCCNc1nc(N[*:1])c2nccnc2n1
COCCNc1nc(Nc2ccc(C)c(C)c2)c2nccnc2n1 COCC[*:1] Cc1ccc(cc1C)Nc1nc(nc2nccnc12)N[*:1]
O=C(CCn1cnc2sccc2c1=O)NCc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(CCn1cnc2sccc2c1=O)NCc1ccc(cc1)[*:1]
O=C(CCn1cnc2sccc2c1=O)NCc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(CCn1cnc2sccc2c1=O)NCc1ccc(cc1)O[*:1]
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[*:1])c(c1)OC
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(OC)c1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(NC(=O)C(=O)NN=C[*:1])c(c1)OC
O=Cc1ccc(N2CCN(c3ccc(C=O)cc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=Cc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)c1ccc(C=O)cc1[*:1]
CC(C)[C@](C)(C#N)NC(=O)CSc1nnc2n1CCCCC2 CC(C)[*:1] C[C@](C#N)(NC(=O)CSc1nnc2CCCCCn21)[*:1]
CCC[C@H]1CCCN(c2ncnc3nc(N)ccc23)C1 CCC[*:1] Nc1ccc2c(ncnc2n1)N1CCC[C@@H](C1)[*:1]
CCc1noc([C@@H]2CCCCN2C(=O)CCCc2ccccc2)n1 c1ccc(cc1)[*:1] CCc1noc(n1)[C@@H]1CCCCN1C(=O)CCC[*:1]
CCc1noc([C@@H]2CCCCN2C(=O)CCCc2ccccc2)n1 c1ccc(cc1)CC[*:1] CCc1noc(n1)[C@@H]1CCCCN1C(=O)C[*:1]
CCc1noc([C@@H]2CCCCN2C(=O)CCCc2ccccc2)n1 CCc1noc(n1)[*:1] O=C(CCCc1ccccc1)N1CCCC[C@H]1[*:1]
CCc1noc([C@@H]2CCCCN2C(=O)CCCc2ccccc2)n1 c1ccc(cc1)C[*:1] CCc1noc(n1)[C@@H]1CCCCN1C(=O)CC[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)[C@H]1CC=CC[C@H]1[*:1]
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)cc1C Brc1cccc(c1)[*:1] Cc1ccc(cc1C)NC(=O)C(C#N)=C[*:1]
Cc1c(CNC(=O)c2cccc([N+](=O)[O-])c2)sc2nc(-c3cccs3)cn12 O=[N+]([O-])c1cccc(c1)[*:1] Cc1c(CNC(=O)[*:1])sc2nc(cn12)-c1cccs1
Cc1c(CNC(=O)c2cccc([N+](=O)[O-])c2)sc2nc(-c3cccs3)cn12 c1csc(c1)[*:1] Cc1c(CNC(=O)c2cccc(c2)[N+](=O)[O-])sc2nc(cn12)[*:1]
Cc1c(CNC(=O)c2cccc([N+](=O)[O-])c2)sc2nc(-c3cccs3)cn12 O=[N+]([O-])[*:1] Cc1c(CNC(=O)c2cccc(c2)[*:1])sc2nc(cn12)-c1cccs1
C[C@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] C[C@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)[*:1]
C[C@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)c1nc(C2CC2)no1 C1CC1[*:1] C[C@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)c1nc(no1)[*:1]
C[C@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)c1nc(C2CC2)no1 Fc1ccc(c(F)c1)[*:1] C[C@H](Sc1nc2ccc(Cl)cc2c(=O)n1[*:1])c1nc(no1)C1CC1
CC1=NN(c2ccc(C(=O)NC[C@](C)(O)c3ccc(F)cc3)cc2)CC1 Fc1ccc(cc1)[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)NC[C@](C)(O)[*:1]
CC(C)[C@H](CNC(=O)Nc1ccnn1Cc1ccccn1)c1cccnc1 c1ccc(nc1)[*:1] CC(C)[C@H](CNC(=O)Nc1ccnn1C[*:1])c1cccnc1
CC(C)[C@H](CNC(=O)Nc1ccnn1Cc1ccccn1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H](CNC(=O)Nc1ccnn1Cc1ccccn1)[*:1]
CC(C)[C@H](CNC(=O)Nc1ccnn1Cc1ccccn1)c1cccnc1 CC(C)[*:1] O=C(NC[C@H](c1cccnc1)[*:1])Nc1ccnn1Cc1ccccn1
CC(C)[C@H](CNC(=O)Nc1ccnn1Cc1ccccn1)c1cccnc1 c1ccc(C[*:1])nc1 CC(C)[C@H](CNC(=O)Nc1ccnn1[*:1])c1cccnc1
COc1ccc([C@H]2[C@H](C(=O)NCc3cccnc3)CCC(=O)N2C)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)[C@H]1[C@@H](CCC(=O)N1C)C(=O)N[*:1]
COc1ccc([C@H]2[C@H](C(=O)NCc3cccnc3)CCC(=O)N2C)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)[C@H]1[C@@H](CCC(=O)N1C)C(=O)NC[*:1]
COc1ccc([C@H]2[C@H](C(=O)NCc3cccnc3)CCC(=O)N2C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@@H]1[*:1]
CC[C@H](C(=O)N1CCC(OCc2ccccc2C)CC1)c1c(C)noc1C Cc1ccccc1[*:1] CC[C@H](C(=O)N1CCC(CC1)OC[*:1])c1c(C)noc1C
CC[C@H](C(=O)N1CCC(OCc2ccccc2C)CC1)c1c(C)noc1C Cc1ccccc1C[*:1] CC[C@H](C(=O)N1CCC(CC1)O[*:1])c1c(C)noc1C
CC[C@H](C(=O)N1CCC(OCc2ccccc2C)CC1)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@H](C(=O)N1CCC(CC1)OCc1ccccc1C)[*:1]
CC[C@H](C(=O)N1CCC(OCc2ccccc2C)CC1)c1c(C)noc1C Cc1ccccc1CO[*:1] CC[C@H](C(=O)N1CCC(CC1)[*:1])c1c(C)noc1C
CN(C)c1cccc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1 CN(C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)[*:1]
CCOc1ccccc1-c1cccc(C(=O)N[C@H]2CCO[C@@H]2C)c1 CCO[*:1] C[C@H]1OCC[C@@H]1NC(=O)c1cccc(c1)-c1ccccc1[*:1]
COC(=O)CN(CC(=O)OC)c1ccc2nccnc2n1 COC(=O)[*:1] COC(=O)CN(C[*:1])c1ccc2nccnc2n1
COC(=O)CN(CC(=O)OC)c1ccc2nccnc2n1 COC(=O)C[*:1] COC(=O)CN(c1ccc2nccnc2n1)[*:1]
Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1C Cc1ccc(cc1C)[*:1] O=C(Cc1ccccc1)N1CCC[C@H](C1)C(=O)N1CCC[C@H]1[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cc(C)on2)cc1 Cc1cc(no1)[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)N[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cc(C)on2)cc1 CC(C)=C[*:1] Cc1cc(no1)NC(=O)c1ccc(cc1)CNC(=O)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cc(C)on2)cc1 CC(C)=CC(=O)N[*:1] Cc1cc(no1)NC(=O)c1ccc(cc1)C[*:1]
CCC(CC)N(C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 CCC(CC)[*:1] CN(C(=O)c1cccc(c1)OCc1cn2ccccc2n1)[*:1]
C[C@H](C[NH2+]C1CCCCC1)C(N)=O NC(=O)[*:1] C[C@H](C[NH2+]C1CCCCC1)[*:1]
CSc1nc(O)c(CC(C)C)c(=O)[nH]1 CC(C)[*:1] CSc1nc(O)c(C[*:1])c(=O)[nH]1
CSc1nc(O)c(CC(C)C)c(=O)[nH]1 CC(C)C[*:1] CSc1nc(O)c(c(=O)[nH]1)[*:1]
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] C[C@@H](c1ccc(cc1)S(C)(=O)=O)N(C)C(=O)[*:1]
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1cccc(F)c1 CS(=O)(=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)Cc1cccc(F)c1
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](c1ccc(cc1)S(C)(=O)=O)N(C)C(=O)C[*:1]
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)c(Cl)c1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1ccc(o1)[*:1])c1ccc(F)c(Cl)c1
O=c1c2c3n(c(SCc4ccccc4)nc-2nn1-c1ccccc1)CCCCC3 c1ccc(cc1)[*:1] O=c1c2-c(nc(SC[*:1])n3CCCCCc23)nn1-c1ccccc1
O=c1c2c3n(c(SCc4ccccc4)nc-2nn1-c1ccccc1)CCCCC3 c1ccc(cc1)C[*:1] O=c1c2-c(nc(S[*:1])n3CCCCCc23)nn1-c1ccccc1
O=c1c2c3n(c(SCc4ccccc4)nc-2nn1-c1ccccc1)CCCCC3 c1ccc(cc1)CS[*:1] O=c1c2-c(nc(n3CCCCCc23)[*:1])nn1-c1ccccc1
O=c1c2c3n(c(SCc4ccccc4)nc-2nn1-c1ccccc1)CCCCC3 c1ccc(cc1)[*:1] O=c1c2-c(nc(SCc3ccccc3)n3CCCCCc23)nn1[*:1]
C/[NH+]=C(/NCc1ccnn1C)NCC1([NH+]2CCCCC2)CCCCC1 Cn1nccc1[*:1] C/[NH+]=C(\NCC1(CCCCC1)[NH+]1CCCCC1)NC[*:1]
C/[NH+]=C(/NCc1ccnn1C)NCC1([NH+]2CCCCC2)CCCCC1 Cn1nccc1C[*:1] C/[NH+]=C(\NCC1(CCCCC1)[NH+]1CCCCC1)N[*:1]
Cc1ccccc1Cn1c([C@H]2CC(=O)N(C)C2)nc2ccccc21 Cc1ccccc1C[*:1] CN1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
Cc1ccccc1Cn1c([C@H]2CC(=O)N(C)C2)nc2ccccc21 Cc1ccccc1[*:1] CN1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
C[C@]1(CNC(=O)NCc2cccc(OCC(F)F)n2)CCCO1 FC(F)[*:1] C[C@@]1(CCCO1)CNC(=O)NCc1cccc(n1)OC[*:1]
C[C@]1(CNC(=O)NCc2cccc(OCC(F)F)n2)CCCO1 FC(F)C[*:1] C[C@@]1(CCCO1)CNC(=O)NCc1cccc(n1)O[*:1]
C[C@]1(CNC(=O)NCc2cccc(OCC(F)F)n2)CCCO1 FC(F)CO[*:1] C[C@@]1(CCCO1)CNC(=O)NCc1cccc(n1)[*:1]
Cc1csc(N2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)n1 c1ncn(n1)[*:1] Cc1csc(n1)N1CCCN(CC1)C(=O)[C@@H](C)[*:1]
Cc1csc(N2CCCN(C(=O)[C@@H](C)n3cncn3)CC2)n1 Cc1csc(n1)[*:1] C[C@H](C(=O)N1CCCN(CC1)[*:1])n1cncn1
O=C(c1ccc2c(c1)OCCO2)N1CCO[C@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1ccc2OCCOc2c1)N1CCO[C@H](C1)[*:1]
O=C(c1ccc2c(c1)OCCO2)N1CCO[C@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc2OCCOc2c1)N1CCO[C@@H](C1)C[*:1]
CCCCN(C)C(=O)CC[NH3+] CCC[*:1] CN(C[*:1])C(=O)CC[NH3+]
CCCCN(C)C(=O)CC[NH3+] [NH3+]CC[*:1] CCCCN(C)C(=O)[*:1]
O=S(=O)(c1cccc(Br)c1)N1CCN(c2ncnc3cc(Cl)ccc23)CC1 Brc1cccc(c1)[*:1] O=S(=O)(N1CCN(CC1)c1ncnc2cc(Cl)ccc12)[*:1]
CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 C[NH+](C)CC[*:1] CC[NH2+][C@H](C)c1cccc(c1)O[*:1]
Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(O)c([N+](=O)[O-])c2)s1 Cc1nc(C)c(s1)[*:1] C[C@@H](N(C)Cc1ccc(O)c(c1)[N+](=O)[O-])[*:1]
Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(O)c([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] Cc1nc(C)c(s1)[C@@H](C)N(C)Cc1ccc(O)c(c1)[*:1]
Cn1cc[nH+]c1C[C@](O)(C[NH3+])C(F)(F)F FC(F)(F)[*:1] Cn1cc[nH+]c1C[C@](O)(C[NH3+])[*:1]
CC(=O)Nc1cc(NC(=O)NC[C@](C)(O)CCC(C)C)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)NC[C@](C)(O)CCC(C)C
CC(=O)Nc1cc(NC(=O)NC[C@](C)(O)CCC(C)C)ccc1C CC(C)CC[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)NC[C@](C)(O)[*:1]
CC(=O)Nc1cc(NC(=O)NC[C@](C)(O)CCC(C)C)ccc1C CC(C)C[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)NC[C@](C)(O)C[*:1]
CC(=O)Nc1cc(NC(=O)NC[C@](C)(O)CCC(C)C)ccc1C CC(C)[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)NC[C@](C)(O)CC[*:1]
Cc1cc2nc(N(C[C@@H]3CCCO3)C(=O)[C@H]3COc4ccccc4O3)sc2cc1C C1CO[C@@H](C1)C[*:1] Cc1cc2nc(sc2cc1C)N(C(=O)[C@H]1COc2ccccc2O1)[*:1]
Cc1cc2nc(N(C[C@@H]3CCCO3)C(=O)[C@H]3COc4ccccc4O3)sc2cc1C C1CO[C@@H](C1)[*:1] Cc1cc2nc(sc2cc1C)N(C[*:1])C(=O)[C@H]1COc2ccccc2O1
Cc1cc2nc(N(C[C@@H]3CCCO3)C(=O)[C@H]3COc4ccccc4O3)sc2cc1C c1ccc2O[C@H](COc2c1)[*:1] Cc1cc2nc(sc2cc1C)N(C[C@@H]1CCCO1)C(=O)[*:1]
Cc1nc(N2CCN(C(=O)CCc3ccccc3)CC2)c2c(n1)c(C)nn2C c1ccc(cc1)C[*:1] Cc1nc(c2c(n1)c(C)nn2C)N1CCN(CC1)C(=O)C[*:1]
Cc1nc(N2CCN(C(=O)CCc3ccccc3)CC2)c2c(n1)c(C)nn2C c1ccc(cc1)[*:1] Cc1nc(c2c(n1)c(C)nn2C)N1CCN(CC1)C(=O)CC[*:1]
Cc1nc(N2CCN(C(=O)CCc3ccccc3)CC2)c2c(n1)c(C)nn2C c1ccc(cc1)CC[*:1] Cc1nc(c2c(n1)c(C)nn2C)N1CCN(CC1)C(=O)[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 FC(F)(F)C[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1cccc(c1)C(=O)N(c1ccccn1)[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 FC(F)(F)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1cccc(c1)C(=O)N(C[*:1])c1ccccn1
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 c1ccc(nc1)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1cccc(c1)C(=O)N(CC(F)(F)F)[*:1]
C=CC[NH+](CC(=O)NC1CC1)Cc1cccs1 C1CC1[*:1] C=CC[NH+](CC(=O)N[*:1])Cc1cccs1
C=CC[NH+](CC(=O)NC1CC1)Cc1cccs1 c1csc(c1)[*:1] C=CC[NH+](CC(=O)NC1CC1)C[*:1]
C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)C1 CS(=O)(=O)[*:1] C[C@@H]1CC[C@H](C1)[NH+]1CCN(CC1)C(=O)c1cccc(c1)[*:1]
NC1=NC(=O)[C@](Cc2cccs2)(c2cccs2)N1 c1csc(c1)C[*:1] NC1=NC(=O)[C@@](N1)(c1cccs1)[*:1]
NC1=NC(=O)[C@](Cc2cccs2)(c2cccs2)N1 c1csc(c1)[*:1] NC1=NC(=O)[C@@](C[*:1])(N1)c1cccs1
NC1=NC(=O)[C@](Cc2cccs2)(c2cccs2)N1 c1csc(c1)[*:1] NC1=NC(=O)[C@](Cc2cccs2)(N1)[*:1]
COCCNC(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1 COC[*:1] O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)NC[*:1]
COCCNC(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1 COCC[*:1] O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)N[*:1]
CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 O=C(c1ccco1)[*:1] CN1C[C@H](c2ccc(F)cc2)[C@H]([C@]12C(=O)Nc1ccccc12)[*:1]
CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 Fc1ccc(cc1)[*:1] CN1C[C@H]([C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12)[*:1]
CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 c1coc(c1)[*:1] CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)[*:1])[C@]12C(=O)Nc1ccccc12
CCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3F)ccc21 CCC[*:1] O=C(N[*:1])N1CCc2cc(ccc21)S(=O)(=O)Nc1ccc(Cl)cc1F
CCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3F)ccc21 Fc1cc(Cl)ccc1[*:1] CCCNC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(CCO1)C[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(CCO1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 N#Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NC[C@H]1CN(CCO1)Cc1ccccc1
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 N#Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)NC[C@H]1CN(CCO1)Cc1ccccc1)[*:1]
CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] FC(F)(F)[*:1] CC[C@H](NS(=O)(=O)c1cccc(c1)[*:1])C(=O)[O-]
CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
NC(=O)C1CCN(C(=S)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=S)N[*:1]
NC(=O)C1CCN(C(=S)Nc2ccccc2)CC1 NC(=O)[*:1] S=C(Nc1ccccc1)N1CCC(CC1)[*:1]
O=C(CCNc1ncccn1)N1CCN(C(=O)Cc2ccccc2F)CC1 c1cnc(nc1)NCC[*:1] O=C(Cc1ccccc1F)N1CCN(CC1)C(=O)[*:1]
O=C(CCNc1ncccn1)N1CCN(C(=O)Cc2ccccc2F)CC1 c1cnc(nc1)N[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)Cc1ccccc1F
O=C(CCNc1ncccn1)N1CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CCNc1ncccn1)N1CCN(CC1)C(=O)C[*:1]
O=C(CCNc1ncccn1)N1CCN(C(=O)Cc2ccccc2F)CC1 c1cnc(nc1)[*:1] O=C(CCN[*:1])N1CCN(CC1)C(=O)Cc1ccccc1F
O=C(CCNc1ncccn1)N1CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(CCNc1ncccn1)N1CCN(CC1)C(=O)[*:1]
O=C(CCNc1ncccn1)N1CCN(C(=O)Cc2ccccc2F)CC1 c1cnc(nc1)NC[*:1] O=C(Cc1ccccc1F)N1CCN(CC1)C(=O)C[*:1]
CC(C)CC[C@@H]1CCCN1C(=O)c1scnc1C1CC1 CC(C)[*:1] O=C(c1scnc1C1CC1)N1CCC[C@H]1CC[*:1]
CC(C)CC[C@@H]1CCCN1C(=O)c1scnc1C1CC1 CC(C)CC[*:1] O=C(c1scnc1C1CC1)N1CCC[C@H]1[*:1]
CC(C)CC[C@@H]1CCCN1C(=O)c1scnc1C1CC1 C1CC1[*:1] CC(C)CC[C@@H]1CCCN1C(=O)c1scnc1[*:1]
CC(C)CC[C@@H]1CCCN1C(=O)c1scnc1C1CC1 CC(C)C[*:1] O=C(c1scnc1C1CC1)N1CCC[C@H]1C[*:1]
CCOc1ccc([C@H]2CC(=O)NC3=NC(c4ccccc4)=NC(=O)[C@@H]32)cc1OC c1ccc(cc1)[*:1] CCOc1ccc(cc1OC)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)[*:1]
CCOc1ccc([C@H]2CC(=O)NC3=NC(c4ccccc4)=NC(=O)[C@@H]32)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)c1ccccc1
O=C(CNC(=O)c1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N[C@H]1CCN(C1=O)c1ccccc1
O=C(CNC(=O)c1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccccc1)N[C@H]1CCN(C1=O)[*:1]
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)sc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(sc1[*:1])S(=O)(=O)[N-]c1ccc(F)c(F)c1
CNS(=O)(=O)c1cc(C(=O)NCC[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1F CNS(=O)(=O)[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(F)c(c1)[*:1]
CCOc1ccccc1N1CCN(c2[nH+]cc(N)cc2C(=O)[O-])CC1 CCO[*:1] Nc1c[nH+]c(c(c1)C(=O)[O-])N1CCN(CC1)c1ccccc1[*:1]
CCOc1ccccc1N1CCN(c2[nH+]cc(N)cc2C(=O)[O-])CC1 O=C([O-])[*:1] CCOc1ccccc1N1CCN(CC1)c1[nH+]cc(N)cc1[*:1]
COC[C@@H](C)N(C)C(=O)CCn1cnc2c(C)cccc2c1=O COC[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)N(C)[C@H](C)[*:1]
Cc1cc(NC(=O)N(C)[C@@H](C)c2ccco2)ccc1-n1cnnn1 c1coc(c1)[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)N(C)[C@@H](C)[*:1]
Cc1cc(NC(=O)N(C)[C@@H](C)c2ccco2)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])NC(=O)N(C)[C@@H](C)c1ccco1
Cc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1Cl Fc1ccc(cc1)C[*:1] Cc1ccc(cc1Cl)NC(=O)c1cc2cccnc2n(c1=O)[*:1]
Cc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N[*:1])c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
Cc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1Cl Fc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)c1cc2cccnc2n(C[*:1])c1=O
Fc1cccc2c1SCC[C@H]2NCc1cc(Br)cs1 Brc1csc(c1)[*:1] Fc1cccc2c1SCC[C@H]2NC[*:1]
CCc1cc[n+](CC(=O)NCCc2ccc(C(C)C)cc2)cc1 CC(C)[*:1] CCc1cc[n+](cc1)CC(=O)NCCc1ccc(cc1)[*:1]
O=C(c1cc(C2CC2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 c1cc2OCCCOc2cc1[*:1] O=C(c1cc(nc2ccccc12)C1CC1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1cc(C2CC2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 C1CC1[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1
CCN(CC)C(=O)[C@@H](C)Sc1nnnn1C1CCCC1 C1CCC(C1)[*:1] CCN(CC)C(=O)[C@@H](C)Sc1nnnn1[*:1]
CC(C)(C[NH3+])N1CC[NH+](C[C@@H]2COc3ccccc32)CC1 CC(C)(C[NH3+])[*:1] c1ccc2c(c1)OC[C@H]2C[NH+]1CCN(CC1)[*:1]
O=C(Nc1nnc(-c2cccs2)o1)NC(c1ccccc1)c1ccccc1 c1csc(c1)[*:1] O=C(Nc1nnc(o1)[*:1])NC(c1ccccc1)c1ccccc1
O=C(Nc1nnc(-c2cccs2)o1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1cccs1)NC(c1ccccc1)[*:1]
Cc1cc(C(=O)N(C)Cc2ccc(C(C)C)cc2)nc2nc([O-])[nH]c(=O)c12 CC(C)c1ccc(cc1)[*:1] Cc1cc(nc2nc([O-])[nH]c(=O)c12)C(=O)N(C)C[*:1]
Cc1cc(C(=O)N(C)Cc2ccc(C(C)C)cc2)nc2nc([O-])[nH]c(=O)c12 CC(C)[*:1] Cc1cc(nc2nc([O-])[nH]c(=O)c12)C(=O)N(C)Cc1ccc(cc1)[*:1]
O=C(NCc1ccccc1)c1ccccc1NC(=O)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=C(NCc1ccccc1)c1ccccc1NC(=O)[*:1]
O=C(NCc1ccccc1)c1ccccc1NC(=O)C(Cl)(Cl)Cl c1ccc(cc1)C[*:1] O=C(N[*:1])c1ccccc1NC(=O)C(Cl)(Cl)Cl
O=C(NCc1ccccc1)c1ccccc1NC(=O)C(Cl)(Cl)Cl c1ccc(cc1)[*:1] O=C(NC[*:1])c1ccccc1NC(=O)C(Cl)(Cl)Cl
O=C(NCc1ccccc1)c1ccccc1NC(=O)C(Cl)(Cl)Cl O=C(N[*:1])C(Cl)(Cl)Cl O=C(NCc1ccccc1)c1ccccc1[*:1]
C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCC4(c5cccs5)CCOCC4)cc1c32 c1csc(c1)[*:1] C[C@@H]1C(=O)N2CCCc3cc(cc1c32)NC(=O)C(=O)NCC1(CCOCC1)[*:1]
C[C@@H](C(=O)NCCc1cccs1)S(=O)(=O)Cc1ccc(Cl)cc1 c1csc(c1)C[*:1] C[C@@H](C(=O)NC[*:1])S(=O)(=O)Cc1ccc(Cl)cc1
C[C@@H](C(=O)NCCc1cccs1)S(=O)(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](C(=O)NCCc1cccs1)S(=O)(=O)C[*:1]
C[C@@H](C(=O)NCCc1cccs1)S(=O)(=O)Cc1ccc(Cl)cc1 c1csc(c1)CC[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1ccc(Cl)cc1
C[C@@H](C(=O)NCCc1cccs1)S(=O)(=O)Cc1ccc(Cl)cc1 c1csc(c1)[*:1] C[C@@H](C(=O)NCC[*:1])S(=O)(=O)Cc1ccc(Cl)cc1
CC(C)OC(=O)[C@H](C)CNC(=O)N1CCO[C@H](c2ccccc2Cl)C1 CC(C)[*:1] C[C@H](CNC(=O)N1CCO[C@@H](C1)c1ccccc1Cl)C(=O)O[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N1CCO[C@H](c2ccccc2Cl)C1 Clc1ccccc1[*:1] CC(C)OC(=O)[C@H](C)CNC(=O)N1CCO[C@H](C1)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N1CCO[C@H](c2ccccc2Cl)C1 CC(C)OC(=O)[*:1] C[C@H](CNC(=O)N1CCO[C@@H](C1)c1ccccc1Cl)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N1CCO[C@H](c2ccccc2Cl)C1 CC(C)OC(=O)[C@H](C)[*:1] O=C(NC[*:1])N1CCO[C@@H](C1)c1ccccc1Cl
COC(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1 COC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cccc(n1)[*:1]
COC(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1 COc1ccc(cc1)[*:1] COC(=O)c1cccc(n1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)c1cccc(CCNC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)c1 COC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])N[C@H]1CCCC[C@H]1C(F)(F)F
COC(=O)c1cccc(CCNC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)c1cccc(c1)CCNC(=O)N[C@H]1CCCC[C@@H]1[*:1]
CC(C)C[C@H](C)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 CC(C)C[*:1] C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)[*:1]
CC(C)C[C@H](C)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 CC(C)[*:1] C[C@@H](C[*:1])[NH2+]C[C@H]1CN2CCC[C@@H]2CO1
CCOC(=O)c1ccc(CN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)o1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(CN2C[C@H]3[C@@H](C2)OCCN3C[*:1])o1
CCOC(=O)c1ccc(CN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)o1 c1ccc(cc1)C[*:1] CCOC(=O)c1ccc(CN2C[C@H]3[C@@H](C2)OCCN3[*:1])o1
CCOC(=O)c1ccc(CN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)o1 CCOC(=O)[*:1] c1ccc(cc1)CN1CCO[C@@H]2CN(Cc3ccc(o3)[*:1])C[C@@H]21
Cc1noc(C)c1CC(=O)NCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1noc(C)c1CC(=O)NCc1cccc(c1)[*:1]
Cc1noc(C)c1CC(=O)NCc1cccc(C(F)(F)F)c1 Cc1noc(C)c1[*:1] O=C(C[*:1])NCc1cccc(c1)C(F)(F)F
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCCSc2ccccc2F)C1 Fc1ccccc1[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)NCCS[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCCSc2ccccc2F)C1 Fc1ccccc1S[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)NCC[*:1]
CCN(CCC#N)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CCN(CCC#N)C(=O)Nc1ccc(cc1)[*:1]
CCN(CCC#N)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CCN(CCC#N)C(=O)Nc1ccc(cc1)O[*:1]
CCN(CCC#N)C(=O)Nc1ccc(OC(F)(F)F)cc1 N#CC[*:1] CCN(C[*:1])C(=O)Nc1ccc(cc1)OC(F)(F)F
CCN(CCC#N)C(=O)Nc1ccc(OC(F)(F)F)cc1 N#CCC[*:1] CCN(C(=O)Nc1ccc(cc1)OC(F)(F)F)[*:1]
O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)o1 c1nc(n[nH]1)[*:1] O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH+]2CCC(CC2)[*:1])o1
O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)o1 O=[N+]([O-])[*:1] Clc1ccc(-c2ccc(C[NH+]3CCC(CC3)c3nc[nH]n3)o2)c(c1)[*:1]
C[C@H](NC(=S)N[C@H]1CCCc2c1cnn2C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=S)N[C@H]1CCCc2c1cnn2C)[*:1]
Cc1ccc(CN(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)cc1 c1cnc(cn1)[*:1] Cc1ccc(cc1)CN(C(=O)[*:1])[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1C
Cc1ccc(CN(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(C[*:1])C(=O)c1cnccn1
Cc1ccc(CN(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(C(=O)c1cnccn1)[*:1]
Cc1ccc(CN(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)cc1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccc(cc1)CN(C(=O)c1cnccn1)[C@H](c1ccccc1C)[*:1]
Cc1ccc(CN(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)CN(C(=O)c1cnccn1)[C@H](C(=O)Nc1ccc(F)cc1)[*:1]
Cc1ccc(CN(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)CN(C(=O)c1cnccn1)[C@H](C(=O)N[*:1])c1ccccc1C
Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
O=C(C1CC1)N1CCC[C@@H](NCc2cc(=O)c3cc(F)ccc3[nH]2)C1 C1CC1[*:1] O=C(N1CCC[C@H](C1)NCc1cc(=O)c2cc(F)ccc2[nH]1)[*:1]
CCN(CCC#N)[C@H](C(=O)N1CCCC1)c1ccccc1 N#CC[*:1] CCN(C[*:1])[C@H](C(=O)N1CCCC1)c1ccccc1
CCN(CCC#N)[C@H](C(=O)N1CCCC1)c1ccccc1 O=C(N1CCCC1)[*:1] CCN(CCC#N)[C@H](c1ccccc1)[*:1]
CCN(CCC#N)[C@H](C(=O)N1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] CCN(CCC#N)[C@H](C(=O)N1CCCC1)[*:1]
CCN(CCC#N)[C@H](C(=O)N1CCCC1)c1ccccc1 CCN(CCC#N)[*:1] O=C([C@H](c1ccccc1)[*:1])N1CCCC1
CCN(CCC#N)[C@H](C(=O)N1CCCC1)c1ccccc1 N#CCC[*:1] CCN([C@H](C(=O)N1CCCC1)c1ccccc1)[*:1]
CCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 CCC[*:1] Cc1occc1C(=O)Nc1cc(ccc1F)NC(=O)C(=O)N[*:1]
CCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 Cc1occc1[*:1] CCCNC(=O)C(=O)Nc1ccc(F)c(c1)NC(=O)[*:1]
O=C(NC[C@@H](O)c1ccc(Cl)cc1)[C@H](c1ccccc1)N1CCCCC1=O O=C1CCCCN1[*:1] O=C(NC[C@@H](O)c1ccc(Cl)cc1)[C@H](c1ccccc1)[*:1]
O=C(NC[C@@H](O)c1ccc(Cl)cc1)[C@H](c1ccccc1)N1CCCCC1=O O[C@@H](c1ccc(Cl)cc1)[*:1] O=C(NC[*:1])[C@H](c1ccccc1)N1CCCCC1=O
O=C(NC[C@@H](O)c1ccc(Cl)cc1)[C@H](c1ccccc1)N1CCCCC1=O c1ccc(cc1)[*:1] O=C(NC[C@@H](O)c1ccc(Cl)cc1)[C@H](N1CCCCC1=O)[*:1]
O=C(NC[C@@H](O)c1ccc(Cl)cc1)[C@H](c1ccccc1)N1CCCCC1=O Clc1ccc(cc1)[*:1] O=C(NC[C@@H](O)[*:1])[C@H](c1ccccc1)N1CCCCC1=O
CCc1ccc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(C)C)o1 CC(C)[*:1] CCc1ccc(o1)[C@H](C)[NH2+][C@H](C)c1nc2ccccc2n1[*:1]
CCc1ccc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(C)C)o1 CCc1ccc(o1)[*:1] CC(C)n1c(nc2ccccc21)[C@@H](C)[NH2+][C@@H](C)[*:1]
C[C@](O)(CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1cccc(C(F)(F)F)c1 c1cc(c2nsnc2c1)[*:1] C[C@](O)(CN1CCN(CC1)S(=O)(=O)[*:1])c1cccc(c1)C(F)(F)F
C[C@](O)(CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@](O)(CN1CCN(CC1)S(=O)(=O)c1cccc2nsnc12)c1cccc(c1)[*:1]
C[C@](O)(CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] C[C@](O)(CN1CCN(CC1)S(=O)(=O)c1cccc2nsnc12)[*:1]
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C(c1ccc(Cl)c(c1)[N+](=O)[O-])N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] O=C(c1ccc(Cl)c(c1)[*:1])N(C1CC1)[C@@H]1CCS(=O)(=O)C1
CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OCc3nc(N)nc(N)n3)cc12 Clc1ccc(cc1)[*:1] CC(=O)c1c(C)n(c2ccc(cc12)OCc1nc(N)nc(N)n1)[*:1]
CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OCc3nc(N)nc(N)n3)cc12 Nc1nc(N)nc(CO[*:1])n1 CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(cc12)[*:1]
CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OCc3nc(N)nc(N)n3)cc12 CC(=O)[*:1] Cc1c(c2cc(ccc2n1-c1ccc(Cl)cc1)OCc1nc(N)nc(N)n1)[*:1]
CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OCc3nc(N)nc(N)n3)cc12 Nc1nc(N)nc(n1)[*:1] CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(cc12)OC[*:1]
CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OCc3nc(N)nc(N)n3)cc12 Nc1nc(N)nc(C[*:1])n1 CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(cc12)O[*:1]
Cn1ccnc1[C@]1(O)COC2(CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)C1 Cn1ccnc1[*:1] O=C(c1ccc2OCCOc2c1)N1CCC2(CC1)C[C@](O)(CO2)[*:1]
CC(C)[C@@H]1C[S@](=O)[C@@H](C)C[NH2+]1 CC(C)[*:1] C[C@H]1C[NH2+][C@@H](C[S@@]1=O)[*:1]
O=C(NCC1(c2ccccc2)CCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCC1(CCC1)[*:1])[C@@H]1CCCN(C1)C(=O)Nc1ccccc1
O=C(NCC1(c2ccccc2)CCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCC1(CCC1)c1ccccc1)[C@@H]1CCCN(C1)C(=O)N[*:1]
C[NH+](C)CCNC(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])[*:1] C[NH+](C)CCNC(=O)NC1(CCC1)C[*:1]
C[NH+](C)CCNC(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])C[*:1] C[NH+](C)CCNC(=O)NC1(CCC1)[*:1]
C[C@H](Nc1ncnc2nn(C)cc12)c1ccccc1OCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Nc1ncnc2nn(C)cc12)c1ccccc1O[*:1]
C[C@H](Nc1ncnc2nn(C)cc12)c1ccccc1OCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ncnc2nn(C)cc12)c1ccccc1OC[*:1]
C[C@H](Nc1ncnc2nn(C)cc12)c1ccccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] C[C@H](Nc1ncnc2nn(C)cc12)c1ccccc1[*:1]
CCOc1ccc2c(c1)C[NH+](Cc1cc(C#N)cs1)CC2 CCO[*:1] N#Cc1csc(c1)C[NH+]1CCc2ccc(cc2C1)[*:1]
CCOc1ccc2c(c1)C[NH+](Cc1cc(C#N)cs1)CC2 N#Cc1csc(c1)[*:1] CCOc1ccc2CC[NH+](Cc2c1)C[*:1]
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Cl)cc2)c1CC CCOC(=O)[*:1] CCc1c([nH]c(C)c1C(=O)Nc1ccc(Cl)cc1)[*:1]
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Cl)cc2)c1CC Clc1ccc(cc1)[*:1] CCOC(=O)c1[nH]c(C)c(C(=O)N[*:1])c1CC
O=C(Cc1ccccc1Cl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 Clc1ccccc1C[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1)[*:1]
O=C(Cc1ccccc1Cl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1ccccc1Cl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1C[*:1]
O=C(Cc1ccccc1Cl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(Cc1ccccc1Cl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
O=C(Cc1ccccc1Cl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 Clc1ccccc1[*:1] O=C(C[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1
N#CCC(=O)N/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 N#CC[*:1] O=C([O-])c1ccc(cc1)COc1ccc(/C=N/NC(=O)[*:1])cc1Br
N#CCC(=O)N/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 O=C([O-])[*:1] N#CCC(=O)N/N=C/c1ccc(OCc2ccc(cc2)[*:1])c(Br)c1
N#CCC(=O)N/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 N#CCC(=O)NN=C[*:1] O=C([O-])c1ccc(cc1)COc1ccc(cc1Br)[*:1]
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(Br)c1 Fc1ccc(cc1)[*:1] Cc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])c(Br)c1
COc1ccc(NC(=O)Nc2nnc(CC(=O)Nc3cccc(C)c3)s2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)Nc1nnc(CC(=O)N[*:1])s1
COc1ccc(NC(=O)Nc2nnc(CC(=O)Nc3cccc(C)c3)s2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)Cc1nnc(NC(=O)N[*:1])s1
CCN(CC)C(=O)CN1CCN(C(=O)NCCc2ncnn2C)CC1 Cn1ncnc1[*:1] CCN(CC)C(=O)CN1CCN(CC1)C(=O)NCC[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)NCCc2ncnn2C)CC1 Cn1ncnc1C[*:1] CCN(CC)C(=O)CN1CCN(CC1)C(=O)NC[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)NCCc2ncnn2C)CC1 CCN(CC)C(=O)[*:1] Cn1ncnc1CCNC(=O)N1CCN(CC1)C[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)NCCc2ncnn2C)CC1 CCN(CC)C(=O)C[*:1] Cn1ncnc1CCNC(=O)N1CCN(CC1)[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)NCCc2ncnn2C)CC1 Cn1ncnc1CC[*:1] CCN(CC)C(=O)CN1CCN(CC1)C(=O)N[*:1]
Cc1cccc(C(=O)Nc2ccccc2NC(=O)c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)C(=O)Nc1ccccc1NC(=O)[*:1]
CN(Cc1ccccc1F)C(=O)CNc1ccc(Br)cc1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)CNc1ccc(Br)cc1
CN(Cc1ccccc1F)C(=O)CNc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CN(Cc1ccccc1F)C(=O)CN[*:1]
C[C@@H](Cn1cncn1)Nc1ccc2nnc(-c3ccccc3F)n2n1 c1ncn(C[*:1])n1 C[C@@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)[*:1]
C[C@@H](Cn1cncn1)Nc1ccc2nnc(-c3ccccc3F)n2n1 c1ncn(n1)[*:1] C[C@@H](C[*:1])Nc1ccc2nnc(-c3ccccc3F)n2n1
C[C@@H](Cn1cncn1)Nc1ccc2nnc(-c3ccccc3F)n2n1 Fc1ccccc1[*:1] C[C@@H](Cn1cncn1)Nc1ccc2nnc(n2n1)[*:1]
NNC(=O)c1ccc([C@H]2C[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] NNC(=O)c1ccc(cc1)[C@H]1C[C@@H]1[*:1]
NNC(=O)c1ccc([C@H]2C[C@H]2c2ccccc2)cc1 NNC(=O)[*:1] c1ccc(cc1)[C@@H]1C[C@@H]1c1ccc(cc1)[*:1]
COc1ccc(C[C@@](C)(O)CNC(=O)c2ccccc2SC)cc1 CSc1ccccc1[*:1] COc1ccc(cc1)C[C@@](C)(O)CNC(=O)[*:1]
COc1ccc(C[C@@](C)(O)CNC(=O)c2ccccc2SC)cc1 COc1ccc(cc1)[*:1] CSc1ccccc1C(=O)NC[C@](C)(O)C[*:1]
CC[C@H]1CC[C@H](NC(=O)c2cc(C)c(C#CCN)s2)[C@@H]1C NCC#C[*:1] CC[C@H]1CC[C@H](NC(=O)c2cc(C)c(s2)[*:1])[C@@H]1C
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc(F)ccc32)cc1 O=C(c1ccc(Cl)cc1)[*:1] COc1ccc(cc1)NC(=O)Cn1cc(c(=O)c2cc(F)ccc21)[*:1]
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc(F)ccc32)cc1 COc1ccc(cc1)[*:1] O=C(Cn1cc(C(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)ccc21)N[*:1]
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc(F)ccc32)cc1 COc1ccc(cc1)NC(=O)[*:1] O=C(c1ccc(Cl)cc1)c1cn(C[*:1])c2ccc(F)cc2c1=O
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc(F)ccc32)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Cn1cc(C(=O)[*:1])c(=O)c2cc(F)ccc21
CCCN(c1ccccc1N)[C@@H]1CCO[C@]2(CCOC2)C1 CCC[*:1] Nc1ccccc1N([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
CCCN(c1ccccc1N)[C@@H]1CCO[C@]2(CCOC2)C1 Nc1ccccc1[*:1] CCCN([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
C[C@@H](c1cccs1)N(C)C(=O)CSc1nnnn1C1CCCC1 C[C@@H](c1cccs1)[*:1] CN(C(=O)CSc1nnnn1C1CCCC1)[*:1]
C[C@@H](c1cccs1)N(C)C(=O)CSc1nnnn1C1CCCC1 C1CCC(C1)[*:1] C[C@@H](c1cccs1)N(C)C(=O)CSc1nnnn1[*:1]
C[C@@H](c1cccs1)N(C)C(=O)CSc1nnnn1C1CCCC1 c1csc(c1)[*:1] C[C@@H](N(C)C(=O)CSc1nnnn1C1CCCC1)[*:1]
Cc1cc(S(=O)(=O)N2CCN(CC(N)=O)CC2)ccc1Br NC(=O)C[*:1] Cc1cc(ccc1Br)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1cc(S(=O)(=O)N2CCN(CC(N)=O)CC2)ccc1Br NC(=O)[*:1] Cc1cc(ccc1Br)S(=O)(=O)N1CCN(CC1)C[*:1]
C[C@H](CCCO)NC(=O)NNC(=O)c1ccc(Br)s1 C[C@H](CCCO)[*:1] O=C(NNC(=O)c1ccc(Br)s1)N[*:1]
C[C@H](CCCO)NC(=O)NNC(=O)c1ccc(Br)s1 OCC[*:1] C[C@H](C[*:1])NC(=O)NNC(=O)c1ccc(Br)s1
C[C@H](CCCO)NC(=O)NNC(=O)c1ccc(Br)s1 OCCC[*:1] C[C@H](NC(=O)NNC(=O)c1ccc(Br)s1)[*:1]
C[C@H](CCCO)NC(=O)NNC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@H](CCCO)NC(=O)NNC(=O)[*:1]
COCCn1nc(C)c(NC(=O)N2CCCCC[C@H]2c2ccc(C)o2)c1C COCC[*:1] Cc1ccc(o1)[C@@H]1CCCCCN1C(=O)Nc1c(C)nn(c1C)[*:1]
COCCn1nc(C)c(NC(=O)N2CCCCC[C@H]2c2ccc(C)o2)c1C Cc1ccc(o1)[*:1] COCCn1nc(C)c(NC(=O)N2CCCCC[C@@H]2[*:1])c1C
COCCn1nc(C)c(NC(=O)N2CCCCC[C@H]2c2ccc(C)o2)c1C COC[*:1] Cc1ccc(o1)[C@@H]1CCCCCN1C(=O)Nc1c(C)nn(C[*:1])c1C
CCN(Cc1ccccn1)C(=O)c1cn(C)nc1C(C)(C)C c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1cn(C)nc1C(C)(C)C
CCN(Cc1ccccn1)C(=O)c1cn(C)nc1C(C)(C)C CC(C)(C)[*:1] CCN(Cc1ccccn1)C(=O)c1cn(C)nc1[*:1]
CCN(Cc1ccccn1)C(=O)c1cn(C)nc1C(C)(C)C c1ccc(C[*:1])nc1 CCN(C(=O)c1cn(C)nc1C(C)(C)C)[*:1]
Cc1nc(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)n(C[C@@H]2CCCO2)c1C c1ccc(cc1)[*:1] Cc1nc(SCc2nnc(o2)-c2c(noc2C)[*:1])n(C[C@@H]2CCCO2)c1C
Cc1cscc1-c1ncc(C(=O)[O-])c(=O)[nH]1 O=C([O-])[*:1] Cc1cscc1-c1ncc(c(=O)[nH]1)[*:1]
C/C(=N/Nc1nc(SCC(=O)Nc2ccc(C)cc2C)n[nH]1)c1ccncc1 c1cc(ccn1)[*:1] CC(=NNc1nc(n[nH]1)SCC(=O)Nc1ccc(C)cc1C)[*:1]
C/C(=N/Nc1nc(SCC(=O)Nc2ccc(C)cc2C)n[nH]1)c1ccncc1 Cc1ccc(c(C)c1)[*:1] C/C(=N/Nc1nc(n[nH]1)SCC(=O)N[*:1])c1ccncc1
CC(C)n1cnnc1SCc1csc(-c2ccccc2F)n1 CC(C)[*:1] Fc1ccccc1-c1nc(cs1)CSc1nncn1[*:1]
CC(C)n1cnnc1SCc1csc(-c2ccccc2F)n1 Fc1ccccc1[*:1] CC(C)n1cnnc1SCc1csc(n1)[*:1]
O=C(Nc1cccc(F)c1)N(Cc1ccncc1)Cc1cccnc1 c1cc(ccn1)[*:1] O=C(Nc1cccc(F)c1)N(Cc1cccnc1)C[*:1]
O=C(Nc1cccc(F)c1)N(Cc1ccncc1)Cc1cccnc1 Fc1cccc(c1)[*:1] O=C(N[*:1])N(Cc1ccncc1)Cc1cccnc1
O=C(Nc1cccc(F)c1)N(Cc1ccncc1)Cc1cccnc1 c1cc(ccn1)C[*:1] O=C(Nc1cccc(F)c1)N(Cc1cccnc1)[*:1]
O=C(Nc1cccc(F)c1)N(Cc1ccncc1)Cc1cccnc1 c1cncc(c1)[*:1] O=C(Nc1cccc(F)c1)N(Cc1ccncc1)C[*:1]
O=C(Nc1cccc(F)c1)N(Cc1ccncc1)Cc1cccnc1 c1cncc(c1)C[*:1] O=C(Nc1cccc(F)c1)N(Cc1ccncc1)[*:1]
COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1C c1ccc(cc1)[*:1] COc1ccc(/C=N/NC(=O)CO[*:1])cc1C
COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1C c1ccc(cc1)O[*:1] COc1ccc(/C=N/NC(=O)C[*:1])cc1C
COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1O c1ccc(cc1)O[*:1] COc1ccc(/C=N/NC(=O)C[*:1])cc1O
COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1O c1ccc(cc1)[*:1] COc1ccc(/C=N/NC(=O)CO[*:1])cc1O
Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(OCC(=O)Nc3ccc4c(c3)OCCO4)nc21 Cc1c(Cl)cccc1[*:1] Cc1cc(nc2c1c(C)nn2[*:1])OCC(=O)Nc1ccc2OCCOc2c1
Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(OCC(=O)Nc3ccc4c(c3)OCCO4)nc21 c1cc2OCCOc2cc1[*:1] Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(nc21)OCC(=O)N[*:1]
C[C@H](Cl)C(=O)Nc1nc2c(F)cccc2s1 C[C@H](Cl)[*:1] O=C(Nc1nc2c(F)cccc2s1)[*:1]
C[C@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)[*:1]
O=C1[C@H](Nc2ccccc2O[C@H]2CCOC2)CCCN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](CCCN1C[*:1])Nc1ccccc1O[C@H]1CCOC1
O=C1[C@H](Nc2ccccc2O[C@H]2CCOC2)CCCN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@@H](CCCN1[*:1])Nc1ccccc1O[C@H]1CCOC1
CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN([C@@H]2CCOC2=O)C1 CC(C)c1nc(no1)[*:1] CC(=O)N(C[*:1])[C@@H]1CCN(C1)[C@@H]1CCOC1=O
CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN([C@@H]2CCOC2=O)C1 CC(C)[*:1] CC(=O)N(Cc1noc(n1)[*:1])[C@@H]1CCN(C1)[C@@H]1CCOC1=O
CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN([C@@H]2CCOC2=O)C1 O=C1OCC[C@H]1[*:1] CC(=O)N(Cc1noc(n1)C(C)C)[C@@H]1CCN(C1)[*:1]
O=C(CCn1cnnn1)N1CCC(CCC(=O)N2CCc3ccccc3C2)CC1 c1nnnn1C[*:1] O=C(C[*:1])N1CCC(CCC(=O)N2CCc3ccccc3C2)CC1
O=C(CCn1cnnn1)N1CCC(CCC(=O)N2CCc3ccccc3C2)CC1 c1nnnn1[*:1] O=C(CC[*:1])N1CCC(CCC(=O)N2CCc3ccccc3C2)CC1
O=C(CCn1cnnn1)N1CCC(CCC(=O)N2CCc3ccccc3C2)CC1 c1nnnn1CC[*:1] O=C(CCC1CCN(CC1)C(=O)[*:1])N1CCc2ccccc2C1
CCC[NH+](C)CC(=O)Nc1cc(N)ccc1Cl CCC[*:1] C[NH+](CC(=O)Nc1cc(N)ccc1Cl)[*:1]
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnnn3-c3ccccc3)c2C#N)C1 c1ccc(cc1)[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)CSc1nnnn1[*:1])c2C#N
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnnn3-c3ccccc3)c2C#N)C1 CC(C)(C)[*:1] N#Cc1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2C[C@H](CCc21)[*:1]
CCCC[C@]1(CC)CC(=O)NC(=O)[C@H]1c1ccccc1Br CCC[*:1] CC[C@]1(CC(=O)NC(=O)[C@H]1c1ccccc1Br)C[*:1]
CCCC[C@]1(CC)CC(=O)NC(=O)[C@H]1c1ccccc1Br CCCC[*:1] CC[C@@]1(CC(=O)NC(=O)[C@H]1c1ccccc1Br)[*:1]
CCCC[C@]1(CC)CC(=O)NC(=O)[C@H]1c1ccccc1Br Brc1ccccc1[*:1] CCCC[C@]1(CC)CC(=O)NC(=O)[C@@H]1[*:1]
CC[C@H](O)Cn1nc(-c2ccc(C)o2)nc1Cc1cccc(OC)c1 Cc1ccc(o1)[*:1] CC[C@H](O)Cn1nc(nc1Cc1cccc(c1)OC)[*:1]
CC[C@H](O)Cn1nc(-c2ccc(C)o2)nc1Cc1cccc(OC)c1 COc1cccc(c1)[*:1] CC[C@H](O)Cn1nc(nc1C[*:1])-c1ccc(C)o1
Cc1c(C(=O)N(C)CCc2ccccn2)cnn1-c1nccc(-c2cccs2)n1 c1ccc(nc1)[*:1] Cc1c(cnn1-c1nccc(n1)-c1cccs1)C(=O)N(C)CC[*:1]
Cc1c(C(=O)N(C)CCc2ccccn2)cnn1-c1nccc(-c2cccs2)n1 c1csc(c1)[*:1] Cc1c(cnn1-c1nccc(n1)[*:1])C(=O)N(C)CCc1ccccn1
Cc1c(C(=O)N(C)CCc2ccccn2)cnn1-c1nccc(-c2cccs2)n1 c1ccc(CC[*:1])nc1 Cc1c(cnn1-c1nccc(n1)-c1cccs1)C(=O)N(C)[*:1]
Cc1c(C(=O)N(C)CCc2ccccn2)cnn1-c1nccc(-c2cccs2)n1 c1ccc(C[*:1])nc1 Cc1c(cnn1-c1nccc(n1)-c1cccs1)C(=O)N(C)C[*:1]
Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)[C@H]1CCOC1)C2 O=C(N[*:1])[C@H]1CCOC1 Cc1cc2C[C@@H](C[*:1])Oc2c(c1)-c1nc2ccccc2s1
Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)[C@H]1CCOC1)C2 c1ccc2sc(nc2c1)[*:1] Cc1cc2C[C@@H](CNC(=O)[C@H]3CCOC3)Oc2c(c1)[*:1]
Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)[C@H]1CCOC1)C2 C1C[C@@H](CO1)[*:1] Cc1cc2C[C@@H](CNC(=O)[*:1])Oc2c(c1)-c1nc2ccccc2s1
Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)[C@H]1CCOC1)C2 O=C(NC[*:1])[C@H]1CCOC1 Cc1cc2C[C@@H](Oc2c(c1)-c1nc2ccccc2s1)[*:1]
CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] CCN(CC)S(=O)(=O)c1csc(c1)C(=O)Nc1ccccc1[*:1]
CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2C(F)(F)F)c1 CCN(CC)S(=O)(=O)[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cc(cs1)[*:1]
CC[C@@](C)(NC(=O)N1CCC[C@H]1C1CCCC1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)N1CCC[C@H]1C1CCCC1)[*:1]
CC[C@@](C)(NC(=O)N1CCC[C@H]1C1CCCC1)C(=O)[O-] C1CCC(C1)[*:1] CC[C@@](C)(NC(=O)N1CCC[C@@H]1[*:1])C(=O)[O-]
Cc1cccc(C)c1NC(=O)CNc1ccc(S(=O)(=O)N(C)C(C)C)cc1 CC(C)N(C)S(=O)(=O)[*:1] Cc1cccc(C)c1NC(=O)CNc1ccc(cc1)[*:1]
Cc1cccc(C)c1NC(=O)CNc1ccc(S(=O)(=O)N(C)C(C)C)cc1 CC(C)[*:1] Cc1cccc(C)c1NC(=O)CNc1ccc(cc1)S(=O)(=O)N(C)[*:1]
Cc1cccc(C)c1NC(=O)CNc1ccc(S(=O)(=O)N(C)C(C)C)cc1 Cc1cccc(C)c1[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)NCC(=O)N[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCSCC1 CC(C)(C)[*:1] C[C@@H]1CN(CCN1C1CCSCC1)C(=O)O[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCSCC1 C1CC(CCS1)[*:1] C[C@@H]1CN(CCN1[*:1])C(=O)OC(C)(C)C
CCOC[C@H]1CCCN(C(=O)CCOc2c(C)cccc2C)C1 CCOC[*:1] Cc1cccc(C)c1OCCC(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)CCOc2c(C)cccc2C)C1 CCO[*:1] Cc1cccc(C)c1OCCC(=O)N1CCC[C@@H](C1)C[*:1]
CC[C@H](C)N(C)C(=O)c1ccc2c(c1)CCCN2 CC[C@H](C)[*:1] CN(C(=O)c1ccc2NCCCc2c1)[*:1]
Cc1cc(CN(C)C(=O)c2ccccc2OCc2ccccc2C)no1 Cc1cc(no1)[*:1] Cc1ccccc1COc1ccccc1C(=O)N(C)C[*:1]
Cc1cc(CN(C)C(=O)c2ccccc2OCc2ccccc2C)no1 Cc1ccccc1[*:1] Cc1cc(CN(C)C(=O)c2ccccc2OC[*:1])no1
Cc1cc(CN(C)C(=O)c2ccccc2OCc2ccccc2C)no1 Cc1cc(C[*:1])no1 Cc1ccccc1COc1ccccc1C(=O)N(C)[*:1]
Cc1cc(CN(C)C(=O)c2ccccc2OCc2ccccc2C)no1 Cc1ccccc1C[*:1] Cc1cc(CN(C)C(=O)c2ccccc2O[*:1])no1
CC(C)CNC(=O)CNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CC(C)CNC(=O)CNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
CC(C)CNC(=O)CNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 CC(C)[*:1] O=C(CNC(=O)N[C@H]1CC(=O)N(C1)C1CC1)NC[*:1]
CC(C)CNC(=O)CNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 CC(C)CNC(=O)[*:1] O=C(NC[*:1])N[C@H]1CC(=O)N(C1)C1CC1
CC(C)CNC(=O)CNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 CC(C)C[*:1] O=C(CNC(=O)N[C@H]1CC(=O)N(C1)C1CC1)N[*:1]
O=C(NCc1ccco1)C1CCN(c2cnnc([O-])c2Cl)CC1 c1coc(c1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1cnnc([O-])c1Cl
O=C(NCc1ccco1)C1CCN(c2cnnc([O-])c2Cl)CC1 c1coc(c1)C[*:1] O=C(N[*:1])C1CCN(CC1)c1cnnc([O-])c1Cl
C[C@H]1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C[C@@H]1O c1cn(cn1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)/C=C/c1ccc(cc1)[*:1]
CC(C)c1nc(NCCC(=O)Nc2nccs2)c2cnn(C)c2n1 CC(C)[*:1] Cn1ncc2c(nc(nc21)[*:1])NCCC(=O)Nc1nccs1
CC(C)c1nc(NCCC(=O)Nc2nccs2)c2cnn(C)c2n1 O=C(Nc1nccs1)[*:1] CC(C)c1nc(NCC[*:1])c2cnn(C)c2n1
CC(C)c1nc(NCCC(=O)Nc2nccs2)c2cnn(C)c2n1 c1csc(n1)[*:1] CC(C)c1nc(NCCC(=O)N[*:1])c2cnn(C)c2n1
CC(=O)c1ccc(N2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 CC(=O)[*:1] O=C(Cc1c(Cl)cccc1Cl)N1CCN(CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 Clc1cccc(Cl)c1[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)C[*:1]
Cn1cccc1C(=O)NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cccc1C(=O)NC(=O)CSc1nc(C2CC2)n(n1)[*:1]
Cn1cccc1C(=O)NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 Cn1cccc1[*:1] O=C(CSc1nc(C2CC2)n(n1)-c1ccccc1)NC(=O)[*:1]
Cn1cccc1C(=O)NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 C1CC1[*:1] Cn1cccc1C(=O)NC(=O)CSc1nc(n(n1)-c1ccccc1)[*:1]
O=C(Oc1ccccc1F)C1(c2ccc(F)cc2F)CCOCC1 Fc1ccc(c(F)c1)[*:1] O=C(Oc1ccccc1F)C1(CCOCC1)[*:1]
O=C(Oc1ccccc1F)C1(c2ccc(F)cc2F)CCOCC1 Fc1ccccc1[*:1] O=C(O[*:1])C1(CCOCC1)c1ccc(F)cc1F
O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=c1c2SCCc2nc(SC[*:1])n1-c1ccc(Br)cc1
O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCc1ccco1 c1coc(c1)C[*:1] O=C(CSc1nc2CCSc2c(=O)n1-c1ccc(Br)cc1)N[*:1]
O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCc1ccco1 c1coc(c1)[*:1] O=C(CSc1nc2CCSc2c(=O)n1-c1ccc(Br)cc1)NC[*:1]
O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCc1ccco1 Brc1ccc(cc1)[*:1] O=C(CSc1nc2CCSc2c(=O)n1[*:1])NCc1ccco1
CC(C)c1cccc2c1OCC[C@H]2[NH2+]C[C@H]1CN2CCN1CC2 CC(C)[*:1] c1cc2c(OCC[C@H]2[NH2+]C[C@H]2CN3CCN2CC3)c(c1)[*:1]
Cc1cccc(NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)c1Cl Cc1cccc(c1Cl)[*:1] O=C(CC1CCCCC1)N1CCN(CC1)C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)c1Cl C1CCC(CC1)C[*:1] Cc1cccc(NC(=O)N2CCN(CC2)C(=O)[*:1])c1Cl
Cc1cccc(NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)c1Cl C1CCC(CC1)[*:1] Cc1cccc(NC(=O)N2CCN(CC2)C(=O)C[*:1])c1Cl
Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(/C=C/C(=O)NNC(=O)CO[*:1])cc1
Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C)cc2)cc1 Cc1ccc(cc1)O[*:1] Cc1ccc(/C=C/C(=O)NNC(=O)C[*:1])cc1
Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)OCC(=O)NNC(=O)C=C[*:1]
CC(C)OCCS(=O)(=O)NCc1ccccc1C#CCO CC(C)[*:1] O=S(=O)(CCO[*:1])NCc1ccccc1C#CCO
CC(C)OCCS(=O)(=O)NCc1ccccc1C#CCO CC(C)OCC[*:1] O=S(=O)(NCc1ccccc1C#CCO)[*:1]
CC(C)OCCS(=O)(=O)NCc1ccccc1C#CCO CC(C)O[*:1] O=S(=O)(CC[*:1])NCc1ccccc1C#CCO
CC(C)OCCS(=O)(=O)NCc1ccccc1C#CCO OCC#C[*:1] CC(C)OCCS(=O)(=O)NCc1ccccc1[*:1]
CC(C)OCCS(=O)(=O)NCc1ccccc1C#CCO CC(C)OC[*:1] O=S(=O)(C[*:1])NCc1ccccc1C#CCO
CN(C[C@H]1CCCO1)C(=O)NCc1cnn(-c2ccccc2)c1 C1CO[C@H](C1)[*:1] CN(C[*:1])C(=O)NCc1cnn(c1)-c1ccccc1
CN(C[C@H]1CCCO1)C(=O)NCc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CN(C[C@H]1CCCO1)C(=O)NCc1cnn(c1)[*:1]
Cc1c(C(=O)Nc2cncnc2N(C)C)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cncnc1N(C)C
Cc1c(C(=O)Nc2cncnc2N(C)C)cnn1-c1ccncc1 CN(C)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)Nc1cncnc1[*:1]
CSC[C@H](C)C(=O)NCc1ccccc1CN1CCOCC1 CSC[*:1] C[C@H](C(=O)NCc1ccccc1CN1CCOCC1)[*:1]
CSC[C@H](C)C(=O)NCc1ccccc1CN1CCOCC1 C1CN(CCO1)C[*:1] CSC[C@H](C)C(=O)NCc1ccccc1[*:1]
CSC[C@H](C)C(=O)NCc1ccccc1CN1CCOCC1 C1CN(CCO1)[*:1] CSC[C@H](C)C(=O)NCc1ccccc1C[*:1]
CCSCC[C@H](C)N(C)C(=O)c1coc(Br)c1 CCSCC[*:1] C[C@H](N(C)C(=O)c1coc(Br)c1)[*:1]
CCSCC[C@H](C)N(C)C(=O)c1coc(Br)c1 CCSC[*:1] C[C@@H](C[*:1])N(C)C(=O)c1coc(Br)c1
CCSCC[C@H](C)N(C)C(=O)c1coc(Br)c1 CCS[*:1] C[C@@H](CC[*:1])N(C)C(=O)c1coc(Br)c1
CC(=O)N1CC[C@@H](C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)C1 CN(C)C(=O)[*:1] CC(=O)N1CC[C@H](C1)C(=O)Nc1ccc(F)c(c1)[*:1]
CCCC(=O)N[C@H]1CCCN(C(=O)NCc2cn3c(C)cccc3[nH+]2)C1 CCC[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N1CCC[C@@H](C1)NC(=O)[*:1]
CCCC(=O)N[C@H]1CCCN(C(=O)NCc2cn3c(C)cccc3[nH+]2)C1 CCCC(=O)N[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccccc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)N[*:1]
Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccccc3)c2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)/C(C#N)=C/c1c(C)nn(C[*:1])c1C
Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(Cc3ccccc3)c2C)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)NC(=O)/C(C#N)=C/c1c(C)nn(c1C)[*:1]
Cc1ccc(NC(=O)C[NH+](C)Cc2ccc(F)c3cccnc23)nc1 Cc1ccc(nc1)[*:1] C[NH+](CC(=O)N[*:1])Cc1ccc(F)c2cccnc12
CC(C)Oc1ccc([C@@H](O)c2ccc(F)cn2)cc1 CC(C)O[*:1] O[C@H](c1ccc(cc1)[*:1])c1ccc(F)cn1
CC(C)Oc1ccc([C@@H](O)c2ccc(F)cn2)cc1 CC(C)[*:1] O[C@H](c1ccc(cc1)O[*:1])c1ccc(F)cn1
Cc1nn(CCO)c(C)c1C[NH+]1CCC(CC[NH+](C)C)CC1 OCC[*:1] Cc1nn(c(C)c1C[NH+]1CCC(CC[NH+](C)C)CC1)[*:1]
Cc1cccc(CS(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 C1CC1[*:1] Cc1cccc(c1)CS(=O)(=O)Nc1ccc(cc1)CC(=O)N[*:1]
Cc1cccc(CS(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 O=C(C[*:1])NC1CC1 Cc1cccc(c1)CS(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(CS(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 Cc1cccc(c1)[*:1] O=C(Cc1ccc(cc1)NS(=O)(=O)C[*:1])NC1CC1
Cc1cccc(CS(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 O=C(NC1CC1)[*:1] Cc1cccc(c1)CS(=O)(=O)Nc1ccc(cc1)C[*:1]
Cc1cccc(CS(=O)(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 Cc1cccc(c1)C[*:1] O=C(Cc1ccc(cc1)NS(=O)(=O)[*:1])NC1CC1
COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3CCCCCC3)CC1)CNC2=O O=C(N1CCCCCC1)[*:1] COc1ccc2C(=O)NC[C@@]3(CCC(=O)N(CC3)C[*:1])Oc2c1
COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3CCCCCC3)CC1)CNC2=O O=C(C[*:1])N1CCCCCC1 COc1ccc2C(=O)NC[C@@]3(CCC(=O)N(CC3)[*:1])Oc2c1
COc1ccccc1-c1cc(N/C(=[NH+]/C[C@H]2CCCO2)SC)n[nH]1 COc1ccccc1[*:1] CS/C(Nc1cc([nH]n1)[*:1])=[NH+]\C[C@H]1CCCO1
CCN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CN(C)S(=O)(=O)c1ccc2NC(=O)CCCc2c1
CCN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 c1ccc(cc1)C[*:1] CCN(C(=O)CN(C)S(=O)(=O)c1ccc2NC(=O)CCCc2c1)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(Br)o2)C12CCC2 Brc1ccc(o1)[*:1] CCO[C@@H]1C[C@@H](NC(=O)N(C)C[*:1])C12CCC2
CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(Br)o2)C12CCC2 CCO[*:1] CN(Cc1ccc(Br)o1)C(=O)N[C@@H]1C[C@H](C12CCC2)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(Br)o2)C12CCC2 Brc1ccc(C[*:1])o1 CCO[C@@H]1C[C@@H](NC(=O)N(C)[*:1])C12CCC2
CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(OC(F)F)cc3)nc21 FC(F)O[*:1] CCn1nc(C)c2c(cc(nc21)-c1ccc(cc1)[*:1])C(F)(F)F
CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(OC(F)F)cc3)nc21 FC(F)(F)[*:1] CCn1nc(C)c2c(cc(nc21)-c1ccc(cc1)OC(F)F)[*:1]
CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(OC(F)F)cc3)nc21 FC(F)[*:1] CCn1nc(C)c2c(cc(nc21)-c1ccc(cc1)O[*:1])C(F)(F)F
Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)o1 Cc1ccc(C[*:1])o1 CN(C)C(=O)c1nn(Cc2ccccc2)c2CC[C@H](Cc12)N[*:1]
Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)o1 c1ccc(cc1)C[*:1] Cc1ccc(CN[C@@H]2CCc3c(C2)c(nn3[*:1])C(=O)N(C)C)o1
Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)o1 c1ccc(cc1)[*:1] Cc1ccc(CN[C@@H]2CCc3c(C2)c(nn3C[*:1])C(=O)N(C)C)o1
Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)o1 Cc1ccc(o1)[*:1] CN(C)C(=O)c1nn(Cc2ccccc2)c2CC[C@H](Cc12)NC[*:1]
Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)o1 Cc1ccc(CN[*:1])o1 CN(C)C(=O)c1nn(Cc2ccccc2)c2CC[C@H](Cc12)[*:1]
Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)o1 CN(C)C(=O)[*:1] Cc1ccc(CN[C@@H]2CCc3c(C2)c(nn3Cc2ccccc2)[*:1])o1
O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2ncccn2)CC1 c1coc(c1)[*:1] O=C(c1cc([nH]n1)[*:1])N1CCN(CC1)c1ncccn1
O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1cc([nH]n1)-c1ccco1)N1CCN(CC1)[*:1]
Cn1ccnc1-c1cn(Cc2ccc(S(N)(=O)=O)cc2)nn1 NS(=O)(=O)[*:1] Cn1ccnc1-c1cn(Cc2ccc(cc2)[*:1])nn1
Cn1ccnc1-c1cn(Cc2ccc(S(N)(=O)=O)cc2)nn1 Cn1ccnc1[*:1] NS(=O)(=O)c1ccc(cc1)Cn1cc(nn1)[*:1]
C[C@H]1CCC[C@@H](NC(=O)Nc2cccc(N3CCNC3=O)c2)C1 O=C1NCCN1[*:1] C[C@H]1CCC[C@H](C1)NC(=O)Nc1cccc(c1)[*:1]
CN(Cc1ncnn1C)C(=O)c1ccccc1OCC(N)=O NC(=O)C[*:1] CN(Cc1ncnn1C)C(=O)c1ccccc1O[*:1]
CN(Cc1ncnn1C)C(=O)c1ccccc1OCC(N)=O Cn1ncnc1C[*:1] CN(C(=O)c1ccccc1OCC(N)=O)[*:1]
CN(Cc1ncnn1C)C(=O)c1ccccc1OCC(N)=O NC(=O)CO[*:1] CN(Cc1ncnn1C)C(=O)c1ccccc1[*:1]
CN(Cc1ncnn1C)C(=O)c1ccccc1OCC(N)=O NC(=O)[*:1] CN(Cc1ncnn1C)C(=O)c1ccccc1OC[*:1]
CN(Cc1ncnn1C)C(=O)c1ccccc1OCC(N)=O Cn1ncnc1[*:1] CN(C[*:1])C(=O)c1ccccc1OCC(N)=O
CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4cc(Cl)ccc4C)ccn23)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1-n1ccn2c(nnc2c1=O)SCC(=O)[*:1]
CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4cc(Cl)ccc4C)ccn23)cc1 Cc1ccc(Cl)cc1[*:1] CCOc1ccc(cc1)C(=O)CSc1nnc2c(=O)n(ccn12)[*:1]
CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4cc(Cl)ccc4C)ccn23)cc1 CCO[*:1] Cc1ccc(Cl)cc1-n1ccn2c(nnc2c1=O)SCC(=O)c1ccc(cc1)[*:1]
O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cc(Cl)ccn1 Clc1ccnc(c1)[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
C/C=C/C=C/C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C/C=C/C=C/C(=O)N[C@@](C)(C(F)(F)F)[*:1]
C/C=C/C=C/C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F C/C=C/C=C[*:1] C[C@](NC(=O)[*:1])(C(=O)[O-])C(F)(F)F
C/C=C/C=C/C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F CC=C[*:1] C[C@](NC(=O)C=C[*:1])(C(=O)[O-])C(F)(F)F
C/C=C/C=C/C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C/C=C/C=C/C(=O)N[C@@](C)(C(=O)[O-])[*:1]
COC(=O)c1ccc(OCC(=O)NCc2cccs2)cc1 COC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])NCc1cccs1
COC(=O)c1ccc(OCC(=O)NCc2cccs2)cc1 c1csc(c1)[*:1] COC(=O)c1ccc(cc1)OCC(=O)NC[*:1]
COC(=O)c1ccc(OCC(=O)NCc2cccs2)cc1 c1csc(c1)C[*:1] COC(=O)c1ccc(cc1)OCC(=O)N[*:1]
O=C(NCC(F)(F)F)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCC(F)(F)F)N[C@H]1CCN(C1)C(=O)CC[*:1]
O=C(NCC(F)(F)F)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(NCC(F)(F)F)N[C@H]1CCN(C1)C(=O)C[*:1]
O=C(NCC(F)(F)F)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 FC(F)(F)C[*:1] O=C(N[C@H]1CCN(C1)C(=O)CCc1ccccc1)N[*:1]
O=C(NCC(F)(F)F)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(NCC(F)(F)F)N[C@H]1CCN(C1)C(=O)[*:1]
O=C(NCC(F)(F)F)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 FC(F)(F)[*:1] O=C(NC[*:1])N[C@H]1CCN(C1)C(=O)CCc1ccccc1
NC(=O)N1CCC(N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 Fc1cc(ccc1Cl)[*:1] NC(=O)N1CCC(CC1)N[C@@H]1CCN(C1=O)[*:1]
O=C(Nc1c[nH]nc1-c1ccccn1)N1CCN(C(=O)c2ccoc2)CC1 c1ccc(nc1)[*:1] O=C(Nc1c[nH]nc1[*:1])N1CCN(CC1)C(=O)c1ccoc1
O=C(Nc1c[nH]nc1-c1ccccn1)N1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] O=C(Nc1c[nH]nc1-c1ccccn1)N1CCN(CC1)C(=O)[*:1]
C[C@H](CCN1CCOCC1)[NH2+][C@H]1CCc2cc(Br)ccc2C1 C1CN(CCO1)[*:1] C[C@H](CC[*:1])[NH2+][C@H]1CCc2cc(Br)ccc2C1
C[C@H](CCN1CCOCC1)[NH2+][C@H]1CCc2cc(Br)ccc2C1 C1CN(CCO1)C[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCc2cc(Br)ccc2C1
CC(=O)Nc1cccc(NC(=O)Cc2ccc(C)c(O)c2)c1 CC(=O)N[*:1] Cc1ccc(cc1O)CC(=O)Nc1cccc(c1)[*:1]
O=C(CNC(=O)c1ccc(Oc2nccs2)cc1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NC[*:1])c1ccc(cc1)Oc1nccs1
O=C(CNC(=O)c1ccc(Oc2nccs2)cc1)NC1CC1 c1csc(n1)O[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])NC1CC1
O=C(CNC(=O)c1ccc(Oc2nccs2)cc1)NC1CC1 c1csc(n1)[*:1] O=C(CNC(=O)c1ccc(cc1)O[*:1])NC1CC1
O=C(CNC(=O)c1ccc(Oc2nccs2)cc1)NC1CC1 C1CC1[*:1] O=C(CNC(=O)c1ccc(cc1)Oc1nccs1)N[*:1]
O=C(CNC(=O)c1ccc(Oc2nccs2)cc1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(N[*:1])c1ccc(cc1)Oc1nccs1
O=C(c1ccc(N2CCCC2)c(F)c1)N1CCN(CC(F)F)CC1 FC(F)[*:1] O=C(c1ccc(c(F)c1)N1CCCC1)N1CCN(CC1)C[*:1]
O=C(c1ccc(N2CCCC2)c(F)c1)N1CCN(CC(F)F)CC1 FC(F)C[*:1] O=C(c1ccc(c(F)c1)N1CCCC1)N1CCN(CC1)[*:1]
O=C(c1ccc(N2CCCC2)c(F)c1)N1CCN(CC(F)F)CC1 C1CCN(C1)[*:1] O=C(c1ccc(c(F)c1)[*:1])N1CCN(CC1)CC(F)F
CC(C)Cc1cc(C(=O)NCCN2C(=O)CSC2=O)[nH]n1 CC(C)[*:1] O=C(NCCN1C(=O)CSC1=O)c1cc(C[*:1])n[nH]1
CC(C)Cc1cc(C(=O)NCCN2C(=O)CSC2=O)[nH]n1 O=C1CSC(=O)N1[*:1] CC(C)Cc1cc([nH]n1)C(=O)NCC[*:1]
CC(C)Cc1cc(C(=O)NCCN2C(=O)CSC2=O)[nH]n1 CC(C)C[*:1] O=C(NCCN1C(=O)CSC1=O)c1cc(n[nH]1)[*:1]
c1ccn2cc(C[NH+](CC3CC[NH2+]CC3)C3CC3)nc2c1 C1CC1[*:1] c1ccn2cc(C[NH+](CC3CC[NH2+]CC3)[*:1])nc2c1
CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4cc(C=O)ccc4OC)CC3)c2c1 COc1ccc(C=O)cc1[*:1] CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC3)C[*:1])c2c1
COc1ccc2nc(Nc3nccc(-c4cn(C)nc4C)n3)nc(C)c2c1 Cc1nn(C)cc1[*:1] COc1ccc2nc(nc(C)c2c1)Nc1nccc(n1)[*:1]
C[NH2+]Cc1ncoc1-c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[NH2+]Cc1ncoc1-c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(/C=C/C(=O)NCC2CC2)cc1 C1CC1C[*:1] CC(C)(C)c1ccc(/C=C/C(=O)N[*:1])cc1
CC(C)(C)c1ccc(/C=C/C(=O)NCC2CC2)cc1 C1CC1[*:1] CC(C)(C)c1ccc(/C=C/C(=O)NC[*:1])cc1
CC(C)(C)c1ccc(/C=C/C(=O)NCC2CC2)cc1 CC(C)(C)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NCC1CC1
C[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccsc1 NC(=O)[*:1] C[C@H](CNS(=O)(=O)c1cccc(c1)[*:1])c1ccsc1
C[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNS(=O)(=O)c1cccc(c1)C(N)=O)[*:1]
COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(N)=O)cc1 NC(=O)[*:1] COc1ccc(cc1)S[C@H](C)C(=O)Nc1ccc(Cl)cc1[*:1]
COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(N)=O)cc1 COc1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(Cl)cc1C(N)=O
COC(=O)c1cc(Sc2ccc(O)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)c1cc(ccc1[*:1])Sc1ccc(O)cc1
COC(=O)c1cc(Sc2ccc(O)cc2)ccc1[N+](=O)[O-] COC(=O)[*:1] O=[N+]([O-])c1ccc(cc1[*:1])Sc1ccc(O)cc1
COC(=O)c1cc(Sc2ccc(O)cc2)ccc1[N+](=O)[O-] Oc1ccc(cc1)[*:1] COC(=O)c1cc(ccc1[N+](=O)[O-])S[*:1]
C[C@H](NC(=O)C[C@H](O)c1ccccc1)C(=O)N1CCCC[C@@H]1C c1ccc(cc1)[*:1] C[C@H](NC(=O)C[C@H](O)[*:1])C(=O)N1CCCC[C@@H]1C
CN(Cc1ccco1)C(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O c1coc(c1)[*:1] CN(C[*:1])C(=O)CN1C(=O)N[C@](C)(C1=O)c1cccc2ccccc12
CN(Cc1ccco1)C(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O c1coc(c1)C[*:1] CN(C(=O)CN1C(=O)N[C@](C)(C1=O)c1cccc2ccccc12)[*:1]
O=C(NCc1cccc(OCC(F)F)n1)c1c[nH]c2ccccc12 FC(F)[*:1] O=C(NCc1cccc(n1)OC[*:1])c1c[nH]c2ccccc12
O=C(NCc1cccc(OCC(F)F)n1)c1c[nH]c2ccccc12 FC(F)CO[*:1] O=C(NCc1cccc(n1)[*:1])c1c[nH]c2ccccc12
O=C(NCc1cccc(OCC(F)F)n1)c1c[nH]c2ccccc12 FC(F)C[*:1] O=C(NCc1cccc(n1)O[*:1])c1c[nH]c2ccccc12
CCCCn1nc(C)c(C(=O)N[C@H](C)Cc2ccco2)c1Cl CCCC[*:1] Cc1nn(c(Cl)c1C(=O)N[C@H](C)Cc1ccco1)[*:1]
CCCCn1nc(C)c(C(=O)N[C@H](C)Cc2ccco2)c1Cl c1coc(c1)C[*:1] CCCCn1nc(C)c(C(=O)N[C@H](C)[*:1])c1Cl
CCCCn1nc(C)c(C(=O)N[C@H](C)Cc2ccco2)c1Cl c1coc(c1)[*:1] CCCCn1nc(C)c(C(=O)N[C@H](C)C[*:1])c1Cl
CCCCn1nc(C)c(C(=O)N[C@H](C)Cc2ccco2)c1Cl CCC[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)N[C@H](C)Cc1ccco1
O=C(NCCc1cccs1)NNC(=O)[C@@H]1CCOc2ccccc21 c1csc(c1)CC[*:1] O=C(NNC(=O)[C@@H]1CCOc2ccccc21)N[*:1]
O=C(NCCc1cccs1)NNC(=O)[C@@H]1CCOc2ccccc21 c1csc(c1)C[*:1] O=C(NC[*:1])NNC(=O)[C@@H]1CCOc2ccccc21
O=C(NCCc1cccs1)NNC(=O)[C@@H]1CCOc2ccccc21 c1csc(c1)[*:1] O=C(NCC[*:1])NNC(=O)[C@@H]1CCOc2ccccc21
Cc1cc(C(=O)N2CCOC[C@@H]2C)sc1C#CCO OCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N1CCOC[C@@H]1C
CNS(=O)(=O)CC(=O)N(C)[C@@H](C)Cc1ccccc1OC CNS(=O)(=O)[*:1] COc1ccccc1C[C@H](C)N(C)C(=O)C[*:1]
CNS(=O)(=O)CC(=O)N(C)[C@@H](C)Cc1ccccc1OC CNS(=O)(=O)C[*:1] COc1ccccc1C[C@H](C)N(C)C(=O)[*:1]
Cc1ccnc(NC(=O)CN(C)c2cc(C)c3ccccc3[nH+]2)c1 Cc1ccnc(c1)[*:1] Cc1cc([nH+]c2ccccc12)N(C)CC(=O)N[*:1]
CCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)C[NH3+] CC(C)(C)[*:1] CCN(C[C@H]1CCCCN1C(=O)O[*:1])C(=O)C[NH3+]
COc1ccccc1[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(C)(C)C COc1ccccc1[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H](C(C)(C)C)[*:1]
COc1ccccc1[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(C)(C)C CC(C)(C)[*:1] COc1ccccc1[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)[*:1]
COc1ccccc1[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(C)(C)C c1cc(co1)[*:1] COc1ccccc1[C@@H](NC(=O)[C@@H](C)NC(=O)[*:1])C(C)(C)C
COc1ccccc1[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(C)(C)C O=C(N[*:1])c1ccoc1 COc1ccccc1[C@@H](NC(=O)[C@@H](C)[*:1])C(C)(C)C
c1ccc(-c2cc(CSC[C@H]3CCCO3)on2)cc1 C1CO[C@H](C1)[*:1] c1ccc(cc1)-c1cc(CSC[*:1])on1
c1ccc(-c2cc(CSC[C@H]3CCCO3)on2)cc1 c1ccc(cc1)[*:1] c1c(noc1CSC[C@H]1CCCO1)[*:1]
c1ccc(-c2cc(CSC[C@H]3CCCO3)on2)cc1 C1CO[C@H](C1)C[*:1] c1ccc(cc1)-c1cc(CS[*:1])on1
Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1C[C@H](C)NC(=O)c2ccc(F)cc21 Cc1ccccc1[*:1] C[C@H]1CN(C(=O)[C@H]2C[C@@H]2[*:1])c2cc(F)ccc2C(=O)N1
COCCNC(=O)C[NH+](C)Cc1ccc(C)cc1C COC[*:1] Cc1ccc(C[NH+](C)CC(=O)NC[*:1])c(C)c1
COCCNC(=O)C[NH+](C)Cc1ccc(C)cc1C COCC[*:1] Cc1ccc(C[NH+](C)CC(=O)N[*:1])c(C)c1
C[C@H]1c2ccsc2CCN1CC1=NC(=O)C2=C(c3ccccc3)CSC2=N1 c1ccc(cc1)[*:1] C[C@H]1c2ccsc2CCN1CC1=NC(=O)C2C(=N1)SCC=2[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(CC1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1])c1ccccc1
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 O=C(N[*:1])c1ccccc1 CC(C)[C@H](C(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCN(CC1)c1cccc(Cl)c1
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc(Br)cc1)n2Cc1ccccc1 Brc1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NN=C[*:1])n2Cc1ccccc1
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc(Br)cc1)n2Cc1ccccc1 c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc(Br)cc1)n2C[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc(Br)cc1)n2Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc(Br)cc1)n2[*:1]
O=C1C[C@H](C(=O)Nc2ccc(Br)cc2)C2(CCCCC2)O1 Brc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])C2(CCCCC2)O1
CC[C@H]([NH2+]C)c1nc(CCC(F)(F)F)no1 FC(F)(F)[*:1] CC[C@H]([NH2+]C)c1nc(CC[*:1])no1
CC[C@H]([NH2+]C)c1nc(CCC(F)(F)F)no1 FC(F)(F)C[*:1] CC[C@H]([NH2+]C)c1nc(C[*:1])no1
Cc1ccc(CN(C)C(=O)Cn2ccc(C(F)(F)F)n2)s1 FC(F)(F)[*:1] Cc1ccc(CN(C)C(=O)Cn2ccc(n2)[*:1])s1
Cc1ccc(CN(C)C(=O)Cn2ccc(C(F)(F)F)n2)s1 Cc1ccc(C[*:1])s1 CN(C(=O)Cn1ccc(n1)C(F)(F)F)[*:1]
Cc1ccc(CN(C)C(=O)Cn2ccc(C(F)(F)F)n2)s1 Cc1ccc(s1)[*:1] CN(C[*:1])C(=O)Cn1ccc(n1)C(F)(F)F
CC(=O)N1CCc2cc(C(=O)N3CCNC(=O)[C@H]3C(C)C)ccc21 CC(C)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N1CCNC(=O)[C@@H]1[*:1]
COc1ccc(OC)c(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@@H]1CCCN1C(=O)N[*:1]
CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] CCC[C@]1(O)C[C@@H]([NH2+][C@@H]([C@@H]1C)[*:1])c1ccccc1
CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1C CCC[*:1] C[C@H]1[C@@H]([NH2+][C@H](C[C@]1(O)[*:1])c1ccccc1)c1ccccc1
CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] CCC[C@]1(O)C[C@H]([NH2+][C@@H](c2ccccc2)[C@@H]1C)[*:1]
CCNC(=O)Cn1cnc(CC[NH3+])c1 [NH3+]CC[*:1] CCNC(=O)Cn1cnc(c1)[*:1]
CCOc1ccc(S(=O)(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cc1 CCO[*:1] CN1CCC[C@@]2(CCN(C2)S(=O)(=O)c2ccc(cc2)[*:1])C1=O
CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]2c2nc(C3CC3)no2)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)NC(=O)N1CCC[C@H]1c1nc(no1)[*:1]
CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]2c2nc(C3CC3)no2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[C@H]1c1nc(no1)C1CC1
CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]2c2nc(C3CC3)no2)cc1 C1CC1c1noc(n1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)N1CCC[C@@H]1[*:1]
CCn1cc[nH+]c1-c1cccc(NC(=O)c2ncccc2C(F)(F)F)c1 FC(F)(F)[*:1] CCn1cc[nH+]c1-c1cccc(c1)NC(=O)c1ncccc1[*:1]
CCc1nn(C)cc1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CCc1nn(C)cc1C(=O)OCc1cc(ccc1Cl)[*:1]
CCC[NH+]1CCC(N(CC2CC[NH2+]CC2)C(C)C)CC1 CCC[*:1] CC(C)N(CC1CC[NH2+]CC1)C1CC[NH+](CC1)[*:1]
CCC[NH+]1CCC(N(CC2CC[NH2+]CC2)C(C)C)CC1 C1CC(CC[NH2+]1)[*:1] CCC[NH+]1CCC(CC1)N(C[*:1])C(C)C
CCC[NH+]1CCC(N(CC2CC[NH2+]CC2)C(C)C)CC1 CC(C)[*:1] CCC[NH+]1CCC(CC1)N(CC1CC[NH2+]CC1)[*:1]
C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CN(C3CC3)CCO2)C1 C1CC1[*:1] C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CN(CCO2)[*:1])C1
Cc1ccc(-c2noc([C@H]3[C@@H]4C[C@@H]5OC(=O)[C@H]3[C@@H]5C4)n2)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])-c1noc(n1)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@H]1[C@@H]3C2
O=C1NC[C@H](c2ccc(Cl)cc2)Cc2[nH]c(-c3nnc4n3CCC4)nc21 Clc1ccc(cc1)[*:1] O=C1NC[C@H](Cc2[nH]c(nc21)-c1nnc2CCCn21)[*:1]
O=C1NC[C@H](c2ccc(Cl)cc2)Cc2[nH]c(-c3nnc4n3CCC4)nc21 C1Cc2nnc(n2C1)[*:1] O=C1NC[C@@H](Cc2[nH]c(nc21)[*:1])c1ccc(Cl)cc1
Cc1ccc(SCC(F)(F)F)c(NC(=O)N(C)CCC#N)c1 FC(F)(F)C[*:1] Cc1ccc(S[*:1])c(c1)NC(=O)N(C)CCC#N
Cc1ccc(SCC(F)(F)F)c(NC(=O)N(C)CCC#N)c1 N#CCC[*:1] Cc1ccc(SCC(F)(F)F)c(c1)NC(=O)N(C)[*:1]
Cc1ccc(SCC(F)(F)F)c(NC(=O)N(C)CCC#N)c1 FC(F)(F)CS[*:1] Cc1ccc(c(c1)NC(=O)N(C)CCC#N)[*:1]
Cc1ccc(SCC(F)(F)F)c(NC(=O)N(C)CCC#N)c1 N#CC[*:1] Cc1ccc(SCC(F)(F)F)c(c1)NC(=O)N(C)C[*:1]
Cc1ccc(SCC(F)(F)F)c(NC(=O)N(C)CCC#N)c1 FC(F)(F)[*:1] Cc1ccc(SC[*:1])c(c1)NC(=O)N(C)CCC#N
CCS(=O)(=O)c1cccc(-c2nc(CCOC)no2)c1 COCC[*:1] CCS(=O)(=O)c1cccc(c1)-c1nc(no1)[*:1]
CCS(=O)(=O)c1cccc(-c2nc(CCOC)no2)c1 COC[*:1] CCS(=O)(=O)c1cccc(c1)-c1nc(C[*:1])no1
CCS(=O)(=O)c1cccc(-c2nc(CCOC)no2)c1 CCS(=O)(=O)[*:1] COCCc1noc(n1)-c1cccc(c1)[*:1]
CCc1noc(CC)c1CC(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 CCc1noc(CC)c1[*:1] O=C(C[*:1])Nc1ccc(cc1)O[C@H]1CCCC[C@H]1O
COc1ccccc1-c1nnc(C2CCN(C(=O)NC(C)(C)C)CC2)s1 CC(C)(C)[*:1] COc1ccccc1-c1nnc(s1)C1CCN(CC1)C(=O)N[*:1]
COc1ccccc1-c1nnc(C2CCN(C(=O)NC(C)(C)C)CC2)s1 COc1ccccc1[*:1] CC(C)(C)NC(=O)N1CCC(CC1)c1nnc(s1)[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)c1cn(CC(N)=O)nn1 Clc1cccc(c1)[*:1] CCN(C[*:1])C(=O)c1cn(CC(N)=O)nn1
CCN(Cc1cccc(Cl)c1)C(=O)c1cn(CC(N)=O)nn1 NC(=O)[*:1] CCN(Cc1cccc(Cl)c1)C(=O)c1cn(C[*:1])nn1
CCN(Cc1cccc(Cl)c1)C(=O)c1cn(CC(N)=O)nn1 NC(=O)C[*:1] CCN(Cc1cccc(Cl)c1)C(=O)c1cn(nn1)[*:1]
Cc1cc(F)cc(NC(=O)c2csc(C#CCN)c2)c1 NCC#C[*:1] Cc1cc(F)cc(c1)NC(=O)c1csc(c1)[*:1]
O=C(Nc1ccc(F)cc1)C(=O)N1C[C@H]2CCCC[C@H]2C1 Fc1ccc(cc1)[*:1] O=C(N[*:1])C(=O)N1C[C@H]2CCCC[C@H]2C1
CCCc1noc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] CCCc1noc(C[NH+]2CCC(CC2)NC(=O)[*:1])n1
CCCc1noc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)n1 CCCc1noc(n1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1ccc(F)cc1
CCCc1noc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)n1 CCC[*:1] O=C(NC1CC[NH+](CC1)Cc1nc(no1)[*:1])c1ccc(F)cc1
Cc1nnc(NC(=O)CCc2ncc(-c3ccccc3F)o2)s1 Cc1nnc(s1)[*:1] O=C(CCc1ncc(o1)-c1ccccc1F)N[*:1]
Cc1nnc(NC(=O)CCc2ncc(-c3ccccc3F)o2)s1 Fc1ccccc1[*:1] Cc1nnc(NC(=O)CCc2ncc(o2)[*:1])s1
CC(C)[C@H](NC(=O)Cc1ccc(F)cc1F)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)Cc1ccc(F)cc1F)[*:1]
CC(C)[C@H](NC(=O)Cc1ccc(F)cc1F)c1ccccn1 CC(C)[*:1] O=C(Cc1ccc(F)cc1F)N[C@H](c1ccccn1)[*:1]
O=S(=O)(Cc1ccccc1)/N=C(\[O-])CCOc1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])/N=C(\[O-])CCOc1ccccc1
O=S(=O)(Cc1ccccc1)/N=C(\[O-])CCOc1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Cc1ccccc1)/N=C(\[O-])CCO[*:1]
O=S(=O)(Cc1ccccc1)/N=C(\[O-])CCOc1ccccc1 c1ccc(cc1)O[*:1] O=S(=O)(Cc1ccccc1)/N=C(\[O-])CC[*:1]
O=S(=O)(Cc1ccccc1)/N=C(\[O-])CCOc1ccccc1 c1ccc(cc1)C[*:1] O=S(=O)(/N=C(\[O-])CCOc1ccccc1)[*:1]
Cc1nc(N[C@@H](C(=O)[O-])C(C)C)c2c3c(sc2n1)CCCC3 O=C([O-])[*:1] Cc1nc(N[C@@H](C(C)C)[*:1])c2c3CCCCc3sc2n1
Cc1nc(N[C@@H](C(=O)[O-])C(C)C)c2c3c(sc2n1)CCCC3 CC(C)[*:1] Cc1nc(N[C@@H](C(=O)[O-])[*:1])c2c3CCCCc3sc2n1
C[C@H](NC(=O)CCCn1ccnn1)c1cccc(Cl)c1Cl c1cn(nn1)[*:1] C[C@H](NC(=O)CCC[*:1])c1cccc(Cl)c1Cl
C[C@H](NC(=O)CCCn1ccnn1)c1cccc(Cl)c1Cl c1cn(CC[*:1])nn1 C[C@H](NC(=O)C[*:1])c1cccc(Cl)c1Cl
C[C@H](NC(=O)CCCn1ccnn1)c1cccc(Cl)c1Cl c1cn(C[*:1])nn1 C[C@H](NC(=O)CC[*:1])c1cccc(Cl)c1Cl
CCN(Cc1ccoc1)C(=O)NC[C@@H](OC)c1ccccc1 c1cc(co1)C[*:1] CCN(C(=O)NC[C@@H](OC)c1ccccc1)[*:1]
CCN(Cc1ccoc1)C(=O)NC[C@@H](OC)c1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1ccoc1)C(=O)NC[C@@H](OC)[*:1]
CCN(Cc1ccoc1)C(=O)NC[C@@H](OC)c1ccccc1 c1cc(co1)[*:1] CCN(C[*:1])C(=O)NC[C@@H](OC)c1ccccc1
C[C@@H](C(=O)NCC1CCCCC1)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 C1CCC(CC1)C[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C1=[NH+]C[C@@H](C)S1
C[C@@H](C(=O)NCC1CCCCC1)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 C1CCC(CC1)[*:1] C[C@@H](C(=O)NC[*:1])N1CCN(CC1)C1=[NH+]C[C@@H](C)S1
Cc1ccc(CC(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])NCc1ccc(cc1)OC[C@@H]1CCCO1
Cc1ccc(CC(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)cc1 Cc1ccc(cc1)C[*:1] O=C(NCc1ccc(cc1)OC[C@@H]1CCCO1)[*:1]
Cc1ccc(CC(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)cc1 C1CO[C@@H](C1)CO[*:1] Cc1ccc(cc1)CC(=O)NCc1ccc(cc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(Nc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 CCN(CC)S(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1Nc1ccc2OCCCOc2c1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(Nc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCN(CC)S(=O)(=O)c1ccc(Nc2ccc3OCCCOc3c2)c(c1)[*:1]
O=C(/C=C/c1ccccc1)N(Cc1cccnc1)C[C@@H]1CCCO1 c1cncc(c1)C[*:1] O=C(/C=C/c1ccccc1)N(C[C@@H]1CCCO1)[*:1]
O=C(/C=C/c1ccccc1)N(Cc1cccnc1)C[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(C=C[*:1])N(Cc1cccnc1)C[C@@H]1CCCO1
O=C(/C=C/c1ccccc1)N(Cc1cccnc1)C[C@@H]1CCCO1 C(=C[*:1])c1ccccc1 O=C(N(Cc1cccnc1)C[C@@H]1CCCO1)[*:1]
O=C(/C=C/c1ccccc1)N(Cc1cccnc1)C[C@@H]1CCCO1 c1cncc(c1)[*:1] O=C(/C=C/c1ccccc1)N(C[C@@H]1CCCO1)C[*:1]
O=C(/C=C/c1ccccc1)N(Cc1cccnc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(/C=C/c1ccccc1)N(Cc1cccnc1)[*:1]
Cc1cccc(C(=O)N2CCN(Cc3cc(=O)c4c(C)cc(C)cc4[nH]3)CC2)c1 Cc1cccc(c1)[*:1] Cc1cc(C)c2c(=O)cc(CN3CCN(CC3)C(=O)[*:1])[nH]c2c1
N#CC1=C(N)N(Nc2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] N#CC1=C(N)N(N[*:1])C2CCCC(=O)C=2[C@H]1c1ccc(cc1)[N+](=O)[O-]
N#CC1=C(N)N(Nc2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] N#CC1=C(N)N(Nc2ccccc2)C2CCCC(=O)C=2[C@H]1c1ccc(cc1)[*:1]
N#CC1=C(N)N(Nc2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] N#CC1=C(N)N(Nc2ccccc2)C2CCCC(=O)C=2[C@@H]1[*:1]
O=C(OCc1nncn1C1CC1)[C@H]1C[C@@H]1c1cccc2ccccc12 c1nnc(n1C1CC1)[*:1] O=C(OC[*:1])[C@H]1C[C@@H]1c1cccc2ccccc12
O=C(OCc1nncn1C1CC1)[C@H]1C[C@@H]1c1cccc2ccccc12 C1CC1[*:1] O=C(OCc1nncn1[*:1])[C@H]1C[C@@H]1c1cccc2ccccc12
COC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 COC[*:1] O=C(Nc1cc(c[nH]c1=O)C(F)(F)F)C(=O)N1CCC[C@H](C1)[*:1]
COC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 FC(F)(F)[*:1] COC[C@@H]1CCCN(C1)C(=O)C(=O)Nc1cc(c[nH]c1=O)[*:1]
CC[NH+](C)Cc1cccc(CNC(=O)NCc2ccncc2)c1 c1cc(ccn1)C[*:1] CC[NH+](C)Cc1cccc(c1)CNC(=O)N[*:1]
CC[NH+](C)Cc1cccc(CNC(=O)NCc2ccncc2)c1 c1cc(ccn1)[*:1] CC[NH+](C)Cc1cccc(c1)CNC(=O)NC[*:1]
O=C(NCCc1ccccc1)C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 c1ccc(cc1)[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)c1cc2oc(cc2[nH]1)-c1ccccc1
O=C(NCCc1ccccc1)C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 O=C(NCCc1ccccc1)[*:1] O=C(c1cc2oc(cc2[nH]1)-c1ccccc1)N1CCC(CC1)[*:1]
O=C(NCCc1ccccc1)C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 c1ccc(cc1)CC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cc2oc(cc2[nH]1)-c1ccccc1
O=C(NCCc1ccccc1)C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 c1ccc(cc1)[*:1] O=C(NCCc1ccccc1)C1CCN(CC1)C(=O)c1cc2oc(cc2[nH]1)[*:1]
O=C(NCCc1ccccc1)C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 c1ccc(cc1)C[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1cc2oc(cc2[nH]1)-c1ccccc1
CCc1nnc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 O=[N+]([O-])[*:1] CCc1nnc(NC(=O)c2ccccc2NC(=O)c2ccc(c(C)c2)[*:1])s1
CCc1nnc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 CCc1nnc(s1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccc(NC(=O)Nc2nnc(CC(=O)NCc3ccccc3)s2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(Cc1nnc(NC(=O)N[*:1])s1)NCc1ccccc1
Cc1ccc(NC(=O)Nc2nnc(CC(=O)NCc3ccccc3)s2)c(Cl)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)Nc2nnc(CC(=O)NC[*:1])s2)c(Cl)c1
Cc1ccc(NC(=O)Nc2nnc(CC(=O)NCc3ccccc3)s2)c(Cl)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)Nc2nnc(CC(=O)N[*:1])s2)c(Cl)c1
C/C=C/C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C/C=C/C(=O)OCC(=O)Nc1ccccc1[*:1]
C/C=C/C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] CC=C[*:1] O=C(COC(=O)[*:1])Nc1ccccc1[N+](=O)[O-]
C/C=C/C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] C/C=C/C(=O)O[*:1] O=C(C[*:1])Nc1ccccc1[N+](=O)[O-]
C[C@@H](NC(=O)c1nc(-c2cnccn2)no1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1nc(no1)-c1cnccn1)[*:1]
C[C@@H](NC(=O)c1nc(-c2cnccn2)no1)c1ccccc1 c1cnc(cn1)[*:1] C[C@@H](NC(=O)c1nc(no1)[*:1])c1ccccc1
CC(C)(C)c1cc(=O)[nH]c(N2CCCC2)n1 C1CCN(C1)[*:1] CC(C)(C)c1cc(=O)[nH]c(n1)[*:1]
CC(C)(C)c1cc(=O)[nH]c(N2CCCC2)n1 CC(C)(C)[*:1] O=c1cc(nc([nH]1)N1CCCC1)[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC(=O)N[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)cc1 CNC(=O)[*:1] C[C@@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+][C@H]1CCCC[C@@H]1[*:1]
Cc1cc([C@H](C)NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](NS(=O)(=O)c1cc2OCC(=O)Nc2cc1Cl)[*:1]
COc1ccccc1/C=C/C[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] COc1ccccc1/C=C/C[NH2+][C@@H]1CC(=O)N(C1)[*:1]
Cc1cc(=O)n2nc(N3CCCC3)nc2[nH]1 C1CCN(C1)[*:1] Cc1cc(=O)n2nc(nc2[nH]1)[*:1]
O=C(Cn1cccn1)Nc1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] O=C(Cn1cccn1)Nc1ccc(cc1)[*:1]
O=C(Cn1cccn1)Nc1ccc(N2CCCS2(=O)=O)cc1 c1cnn(c1)C[*:1] O=C(Nc1ccc(cc1)N1CCCS1(=O)=O)[*:1]
O=C(Cn1cccn1)Nc1ccc(N2CCCS2(=O)=O)cc1 c1cnn(c1)[*:1] O=C(C[*:1])Nc1ccc(cc1)N1CCCS1(=O)=O
CCN(Cc1ccnc(/C(N)=N/O)c1)Cc1ccccn1 N/C(=N\O)[*:1] CCN(Cc1ccnc(c1)[*:1])Cc1ccccn1
CCN(Cc1ccnc(/C(N)=N/O)c1)Cc1ccccn1 c1ccc(nc1)[*:1] CCN(Cc1ccnc(c1)/C(N)=N/O)C[*:1]
CCN(Cc1ccnc(/C(N)=N/O)c1)Cc1ccccn1 c1ccc(C[*:1])nc1 CCN(Cc1ccnc(c1)/C(N)=N/O)[*:1]
CCCNC(=O)c1sc(C)nc1C CCC[*:1] Cc1nc(C)c(s1)C(=O)N[*:1]
O=C1CN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C5CCCCCC5)C(=O)[C@@H]24)O3)CCN1 C1CCCC(CC1)[*:1] O=C1CN(CCN1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
O=C1CN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C5CCCCCC5)C(=O)[C@@H]24)O3)CCN1 O=C1CN(CCN1)C(=O)[*:1] O=C1[C@H]2[C@H]([C@@H]3C=C[C@@]2(CN1C1CCCCCC1)O3)[*:1]
O=S(=O)(N1CCOCC1)N1CCC[C@@H]1Cn1ccnc1 c1cn(cn1)C[*:1] O=S(=O)(N1CCOCC1)N1CCC[C@H]1[*:1]
O=S(=O)(N1CCOCC1)N1CCC[C@@H]1Cn1ccnc1 c1cn(cn1)[*:1] O=S(=O)(N1CCOCC1)N1CCC[C@@H]1C[*:1]
CN(C(=O)CCCn1ccnn1)[C@H](c1ccc(Cl)cc1)C(F)(F)F FC(F)(F)[*:1] CN(C(=O)CCCn1ccnn1)[C@H](c1ccc(Cl)cc1)[*:1]
CN(C(=O)CCCn1ccnn1)[C@H](c1ccc(Cl)cc1)C(F)(F)F c1cn(nn1)[*:1] CN(C(=O)CCC[*:1])[C@H](c1ccc(Cl)cc1)C(F)(F)F
CN(C(=O)CCCn1ccnn1)[C@H](c1ccc(Cl)cc1)C(F)(F)F c1cn(CC[*:1])nn1 CN(C(=O)C[*:1])[C@H](c1ccc(Cl)cc1)C(F)(F)F
CN(C(=O)CCCn1ccnn1)[C@H](c1ccc(Cl)cc1)C(F)(F)F c1cn(CCC[*:1])nn1 CN(C(=O)[*:1])[C@H](c1ccc(Cl)cc1)C(F)(F)F
CN(C(=O)CCCn1ccnn1)[C@H](c1ccc(Cl)cc1)C(F)(F)F c1cn(C[*:1])nn1 CN(C(=O)CC[*:1])[C@H](c1ccc(Cl)cc1)C(F)(F)F
CN(C(=O)CCCn1ccnn1)[C@H](c1ccc(Cl)cc1)C(F)(F)F Clc1ccc(cc1)[*:1] CN(C(=O)CCCn1ccnn1)[C@H](C(F)(F)F)[*:1]
C/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1ccc(C)cc1 c1ccc(cc1)[*:1] C/C(CC[*:1])=N\NC(=O)C(=O)Nc1ccc(C)cc1
C/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1ccc(C)cc1 c1ccc(cc1)C[*:1] C/C(C[*:1])=N\NC(=O)C(=O)Nc1ccc(C)cc1
C/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] C/C(CCc1ccccc1)=N\NC(=O)C(=O)N[*:1]
C/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1ccc(C)cc1 c1ccc(cc1)CC[*:1] CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)[*:1]
COc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)o1 C1CC1[*:1] COc1ccc(o1)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
COc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)o1 COc1ccc(o1)[*:1] O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
O=C(Cc1c[nH]c2ccccc12)Nc1nc(Cc2nc(-c3cccs3)no2)cs1 c1csc(c1)[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1nc(cs1)Cc1nc(no1)[*:1]
O=C(Cc1c[nH]c2ccccc12)Nc1nc(Cc2nc(-c3cccs3)no2)cs1 c1ccc2c(c[nH]c2c1)[*:1] O=C(C[*:1])Nc1nc(cs1)Cc1nc(no1)-c1cccs1
Cc1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc(Br)cc2)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)C(=O)/N=C(\Nc1ccc(Br)cc1)N[*:1]
Cc1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc(Br)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(/N=C(/NCc1cccnc1)Nc1ccc(Br)cc1)[*:1]
Cc1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)/N=C(/NCc1cccnc1)N[*:1]
Cc1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc(Br)cc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)C(=O)/N=C(/NC[*:1])Nc1ccc(Br)cc1
CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[*:1]
CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 CC(C)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 O=[N+]([O-])[*:1] CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1[*:1])c1ccccn1
O=C(NCc1ccnc(OCC(F)F)c1)N[C@@H]1CCCC[C@H]1CO FC(F)C[*:1] O=C(NCc1ccnc(c1)O[*:1])N[C@@H]1CCCC[C@H]1CO
O=C(NCc1ccnc(OCC(F)F)c1)N[C@@H]1CCCC[C@H]1CO FC(F)CO[*:1] O=C(NCc1ccnc(c1)[*:1])N[C@@H]1CCCC[C@H]1CO
O=C(NCc1ccnc(OCC(F)F)c1)N[C@@H]1CCCC[C@H]1CO FC(F)[*:1] O=C(NCc1ccnc(c1)OC[*:1])N[C@@H]1CCCC[C@H]1CO
CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)NCCc1ccccc1)C2 c1ccc(cc1)CC[*:1] CN(C)C(=O)c1cc2C[C@@H](CCc2s1)C(=O)N[*:1]
CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)NCCc1ccccc1)C2 c1ccc(cc1)[*:1] CN(C)C(=O)c1cc2C[C@@H](CCc2s1)C(=O)NCC[*:1]
CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)NCCc1ccccc1)C2 c1ccc(cc1)C[*:1] CN(C)C(=O)c1cc2C[C@@H](CCc2s1)C(=O)NC[*:1]
CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)NCCc1ccccc1)C2 CN(C)C(=O)[*:1] O=C(NCCc1ccccc1)[C@@H]1CCc2sc(cc2C1)[*:1]
Cc1ccc(NC(=O)C[NH2+]CC2(C)COC2)cc1 CC1(COC1)[*:1] Cc1ccc(cc1)NC(=O)C[NH2+]C[*:1]
CCCn1ncc(C(=O)N2CCCC[C@@H]2CCn2cccn2)c1C c1cnn(c1)[*:1] CCCn1ncc(C(=O)N2CCCC[C@@H]2CC[*:1])c1C
CCCn1ncc(C(=O)N2CCCC[C@@H]2CCn2cccn2)c1C CCC[*:1] Cc1c(cnn1[*:1])C(=O)N1CCCC[C@@H]1CCn1cccn1
CCCn1ncc(C(=O)N2CCCC[C@@H]2CCn2cccn2)c1C c1cnn(c1)C[*:1] CCCn1ncc(C(=O)N2CCCC[C@@H]2C[*:1])c1C
CCCn1ncc(C(=O)N2CCCC[C@@H]2CCn2cccn2)c1C c1cnn(c1)CC[*:1] CCCn1ncc(C(=O)N2CCCC[C@H]2[*:1])c1C
C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)[C@@H]2CCCC[C@H]12 Brc1ccc(cc1)[*:1] C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)[*:1])[C@@H]2CCCC[C@H]12
COc1cccc(CNc2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CNc1ncc(C(=O)N[*:1])c(C)n1
COc1cccc(CNc2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)c1 COc1cccc(c1)[*:1] Cc1nc(ncc1C(=O)Nc1ccc(F)cc1)NC[*:1]
COc1cccc(CNc2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)c1 COc1cccc(c1)C[*:1] Cc1nc(ncc1C(=O)Nc1ccc(F)cc1)N[*:1]
CC(=O)NCCNc1cc(C)nc(-c2cccnc2)n1 CC(=O)NCC[*:1] Cc1cc(nc(n1)-c1cccnc1)N[*:1]
CC(=O)NCCNc1cc(C)nc(-c2cccnc2)n1 CC(=O)N[*:1] Cc1cc(nc(n1)-c1cccnc1)NCC[*:1]
CC(=O)NCCNc1cc(C)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] CC(=O)NCCNc1cc(C)nc(n1)[*:1]
CC(=O)NCCNc1cc(C)nc(-c2cccnc2)n1 CC(=O)NC[*:1] Cc1cc(nc(n1)-c1cccnc1)NC[*:1]
C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1ccoc1 c1cc(co1)[*:1] C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)[*:1]
C[NH+]1CCC(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])CC1 FC(F)(F)[*:1] C[NH+]1CCC(CC1)NC(=O)c1nn(cc1[O-])-c1ccccc1[*:1]
CCN(C)S(=O)(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 c1ccc(cc1)[*:1] CCN(C)S(=O)(=O)N1CCC(CC1)c1nc(n[nH]1)[*:1]
COc1ccc(-c2n[nH]c(/N=C(\[O-])CN3CCCCCCC3=O)n2)cc1 COc1ccc(cc1)[*:1] O=C1CCCCCCN1C/C([O-])=N/c1nc(n[nH]1)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccc3[nH]ccc23)C1 CCC[C@@H](C)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cccc2[nH]ccc12
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccc3[nH]ccc23)C1 CCC[C@@H](C)NC(=O)[*:1] O=C(c1cccc2[nH]ccc12)N1CCC[C@@H](C1)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccc3[nH]ccc23)C1 CCC[*:1] C[C@@H](NC(=O)[C@H]1CCCN(C1)C(=O)c1cccc2[nH]ccc12)[*:1]
COc1cccc2c(C)cc3nnc(SCC(=O)Nc4cccc(C(C)=O)c4)n3c12 CC(=O)c1cccc(c1)[*:1] COc1cccc2c(C)cc3nnc(SCC(=O)N[*:1])n3c12
COc1cccc2c(C)cc3nnc(SCC(=O)Nc4cccc(C(C)=O)c4)n3c12 CC(=O)[*:1] COc1cccc2c(C)cc3nnc(SCC(=O)Nc4cccc(c4)[*:1])n3c12
Cc1ccc(-c2cnc(CCC(=O)Oc3ccccc3F)o2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-c1cnc(CCC(=O)O[*:1])o1
Cc1ccc(-c2cnc(CCC(=O)Oc3ccccc3F)o2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])Oc1ccccc1F
C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)N(C)Cc1ccccc1)C2=O c1ccc(cc1)[*:1] C=CCN1C(=O)N[C@@H](C2C(=O)N(CC(=O)N(C)C[*:1])CC=21)c1cccc(Cl)c1
C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)N(C)Cc1ccccc1)C2=O Clc1cccc(c1)[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CC(=O)N(C)Cc3ccccc3)CC=21)[*:1]
C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)N(C)Cc1ccccc1)C2=O CN(Cc1ccccc1)C(=O)[*:1] C=CCN1C(=O)N[C@@H](C2C(=O)N(CC=21)C[*:1])c1cccc(Cl)c1
C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)N(C)Cc1ccccc1)C2=O C=CC[*:1] CN(Cc1ccccc1)C(=O)CN1CC2=C(C1=O)[C@H](NC(=O)N2[*:1])c1cccc(Cl)c1
C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)N(C)Cc1ccccc1)C2=O c1ccc(cc1)C[*:1] C=CCN1C(=O)N[C@@H](C2C(=O)N(CC(=O)N(C)[*:1])CC=21)c1cccc(Cl)c1
CCC[C@@H](C(=O)Nc1nn(-c2ccccc2Cl)cc1C)[NH+](C)C CCC[*:1] Cc1cn(nc1NC(=O)[C@@H]([NH+](C)C)[*:1])-c1ccccc1Cl
CCC[C@@H](C(=O)Nc1nn(-c2ccccc2Cl)cc1C)[NH+](C)C Clc1ccccc1[*:1] CCC[C@@H](C(=O)Nc1nn(cc1C)[*:1])[NH+](C)C
C#CCN1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 Clc1ccc(c(Cl)c1)[*:1] C#CCN1CCN(CC1)[C@H](C)C(=O)N[C@H](C)[*:1]
C#CCN1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 C#CC[*:1] C[C@@H](NC(=O)[C@@H](C)N1CCN(CC1)[*:1])c1ccc(Cl)cc1Cl
CCOC(=O)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccc(C)s1 Cc1ccc(s1)[*:1] CCOC(=O)CN(CC)C(=O)[C@@H]1C[C@H]1[*:1]
CCOC(=O)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccc(C)s1 CCOC(=O)[*:1] CCN(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccc(C)s1
CCOC(=O)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccc(C)s1 CCOC(=O)C[*:1] CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(C)s1)[*:1]
C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1Cc1cccc(F)c1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1Cc1cccc(F)c1)[*:1]
C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1Cc1cccc(F)c1)c1ccco1 Fc1cccc(c1)C[*:1] C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[*:1])c1ccco1
C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1Cc1cccc(F)c1)c1ccco1 Fc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1C[*:1])c1ccco1
C[C@H]1CCCC2=[NH+][C@H](C[C@@H](C)c3ccccc3)C(=[NH2+])N21 c1ccc(cc1)[*:1] C[C@H]1CCCC2=[NH+][C@H](C[C@@H](C)[*:1])C(=[NH2+])N21
CCc1ccsc1CNC(=O)c1cccc(C(=O)NC)c1 CNC(=O)[*:1] CCc1ccsc1CNC(=O)c1cccc(c1)[*:1]
CCc1ccsc1CNC(=O)c1cccc(C(=O)NC)c1 CCc1ccsc1[*:1] CNC(=O)c1cccc(c1)C(=O)NC[*:1]
Cc1cc(-c2csc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)n2)c(C)o1 c1coc(c1)[*:1] Cc1cc(-c2csc(n2)NC(=O)[C@@H]2CCCCN2C(=O)[*:1])c(C)o1
Cc1cc(-c2csc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)n2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CCCCN1C(=O)c1ccco1
CCCCO[C@@H]1C[C@H](NC(=O)c2occc2Br)C1(C)C CCCCO[*:1] CC1(C)[C@H](C[C@H]1[*:1])NC(=O)c1occc1Br
CCCCO[C@@H]1C[C@H](NC(=O)c2occc2Br)C1(C)C CCC[*:1] CC1(C)[C@H](C[C@H]1OC[*:1])NC(=O)c1occc1Br
CCCCO[C@@H]1C[C@H](NC(=O)c2occc2Br)C1(C)C Brc1ccoc1[*:1] CCCCO[C@@H]1C[C@H](NC(=O)[*:1])C1(C)C
CCCCO[C@@H]1C[C@H](NC(=O)c2occc2Br)C1(C)C CCCC[*:1] CC1(C)[C@H](C[C@H]1O[*:1])NC(=O)c1occc1Br
C[C@@H](CCc1ccccc1)NC(=O)c1nc2ccccc2c(=O)[nH]1 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1nc2ccccc2c(=O)[nH]1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)c1nc2ccccc2c(=O)[nH]1
C[C@@H](CCc1ccccc1)NC(=O)c1nc2ccccc2c(=O)[nH]1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)c1nc2ccccc2c(=O)[nH]1
Cc1cccc(C2=CCN(C(=O)NCCCNC(=O)C(C)C)CC2)c1 CC(C)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NCCCNC(=O)[*:1]
Cc1cccc(C2=CCN(C(=O)NCCCNC(=O)C(C)C)CC2)c1 Cc1cccc(c1)[*:1] CC(C)C(=O)NCCCNC(=O)N1CC=C(CC1)[*:1]
Cc1cccc(C2=CCN(C(=O)NCCCNC(=O)C(C)C)CC2)c1 CC(C)C(=O)NC[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NCC[*:1]
Cc1cccc(C2=CCN(C(=O)NCCCNC(=O)C(C)C)CC2)c1 CC(C)C(=O)NCC[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NC[*:1]
Cc1cccc(C2=CCN(C(=O)NCCCNC(=O)C(C)C)CC2)c1 CC(C)C(=O)N[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NCCC[*:1]
CCOC(=O)c1nc(Nc2cccc(C(=O)[O-])c2)c2ccccc2n1 CCOC(=O)[*:1] O=C([O-])c1cccc(c1)Nc1nc(nc2ccccc12)[*:1]
CCOC(=O)c1nc(Nc2cccc(C(=O)[O-])c2)c2ccccc2n1 O=C([O-])[*:1] CCOC(=O)c1nc(Nc2cccc(c2)[*:1])c2ccccc2n1
N#Cc1ccc(/C([O-])=N/S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1ccc2CCCCc2c1
CN(C(=O)c1cc(N2CCCC2=O)ccc1Cl)c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(C(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
CN(C(=O)c1cc(N2CCCC2=O)ccc1Cl)c1cccc(F)c1 O=C1CCCN1[*:1] CN(C(=O)c1cc(ccc1Cl)[*:1])c1cccc(F)c1
CC(C)[C@]1(C)CC(=O)N([C@H](C)c2ccc(N)cc2)C1=O CC(C)[*:1] C[C@H](c1ccc(N)cc1)N1C(=O)C[C@@](C)(C1=O)[*:1]
O=S1(=O)C[C@@H](O)[C@H](/N=C/c2ccoc2)C1 c1cc(co1)[*:1] O=S1(=O)C[C@@H](O)[C@@H](C1)N=C[*:1]
CCC[NH2+]Cc1ccc(OCCC)c(Br)c1 CCCO[*:1] CCC[NH2+]Cc1ccc(c(Br)c1)[*:1]
CCC[NH2+]Cc1ccc(OCCC)c(Br)c1 CCC[*:1] CCC[NH2+]Cc1ccc(O[*:1])c(Br)c1
CCC[NH2+]Cc1ccc(OCCC)c(Br)c1 CCC[*:1] CCCOc1ccc(cc1Br)C[NH2+][*:1]
CCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl CC(C)(O)[*:1] CCN(C[*:1])C(=O)[C@H]1C[C@@H]1c1ccccc1Cl
CCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl CC(C)(O)C[*:1] CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)[*:1]
CCOc1ccccc1C(=O)NCCS(=O)(=O)/N=c1/cccc[nH]1 CCO[*:1] O=C(NCCS(=O)(=O)/N=c1/cccc[nH]1)c1ccccc1[*:1]
Cc1ccc(N)c(SCC(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(N)c(c1)SCC(=O)N(C)[*:1]
COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] COc1cc2CC(=O)N(c3ccccc3)[C@H](c2cc1OC)[*:1]
COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1c2cc(OC)c(cc2CC(=O)N1[*:1])OC
COc1cccc(C2(CNC(=O)c3ccc(OC)nn3)CCCC2)c1 COc1ccc(nn1)[*:1] COc1cccc(c1)C1(CCCC1)CNC(=O)[*:1]
COc1cccc(C2(CNC(=O)c3ccc(OC)nn3)CCCC2)c1 COc1cccc(c1)[*:1] COc1ccc(nn1)C(=O)NCC1(CCCC1)[*:1]
COc1ccc(C(=O)N/N=C(/C)c2ccc(Br)cc2)cc1Br Brc1ccc(cc1)[*:1] COc1ccc(cc1Br)C(=O)NN=C(C)[*:1]
C[NH2+]CC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@@H]2C1 c1cc(cs1)[*:1] C[NH2+]CC(=O)N[C@H]1CCN2C(=O)c3cc(ccc3NC(=O)[C@@H]2C1)[*:1]
C[C@H](S[C@@H]1N=Nc2nc3ccccc3n21)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](S[C@@H]1N=Nc2nc3ccccc3n21)C(=O)N[*:1]
O=C(N/N=C\c1ccco1)C(=O)N/N=C\c1ccco1 c1coc(c1)[*:1] O=C(N/N=C\c1ccco1)C(=O)NN=C[*:1]
Fc1cccnc1N1CCN(Cc2ccncc2Cl)CC1 Clc1cnccc1[*:1] Fc1cccnc1N1CCN(CC1)C[*:1]
Fc1cccnc1N1CCN(Cc2ccncc2Cl)CC1 Fc1cccnc1[*:1] Clc1cnccc1CN1CCN(CC1)[*:1]
CCn1ccnc(Nc2cccc(CN(C)C(C)=O)c2)c1=O CC(=O)N(C)C[*:1] CCn1ccnc(Nc2cccc(c2)[*:1])c1=O
CCn1ccnc(Nc2cccc(CN(C)C(C)=O)c2)c1=O CC(=O)N(C)[*:1] CCn1ccnc(Nc2cccc(c2)C[*:1])c1=O
CC(C)[C@@]1(C)CC(=O)NC(=O)[C@H]1c1cccc(Br)c1 CC(C)[*:1] C[C@]1(CC(=O)NC(=O)[C@H]1c1cccc(Br)c1)[*:1]
O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCN(CC1)[*:1]
C[C@H]1Oc2ccc(NC(=O)CCN3CCSC3=O)cc2NC1=O O=C1SCCN1C[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)C[*:1]
C[C@H]1Oc2ccc(NC(=O)CCN3CCSC3=O)cc2NC1=O O=C1SCCN1[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)CC[*:1]
O=C(c1cnccn1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 c1cnc(cn1)[*:1] O=C(N1CCN(CC1)Cc1nc2ccccc2c(=O)[nH]1)[*:1]
CC(C)NC(=O)C[C@H](C[NH3+])[NH+]1CCC(C)(C)CC1 CC(C)NC(=O)[*:1] CC1(C)CC[NH+](CC1)[C@@H](C[NH3+])C[*:1]
CC(C)NC(=O)C[C@H](C[NH3+])[NH+]1CCC(C)(C)CC1 CC(C)[*:1] CC1(C)CC[NH+](CC1)[C@@H](C[NH3+])CC(=O)N[*:1]
COC(=O)C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)C1CC1 COC(=O)C[*:1] O=C(N[C@@H](C1CC1)[*:1])[C@@H]1CCCc2ccccc21
COC(=O)C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)[*:1]
COC(=O)C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)C1CC1 COC(=O)[*:1] O=C(N[C@H](C[*:1])C1CC1)[C@@H]1CCCc2ccccc21
CCOC(=O)c1c(S(=O)(=O)N2CCCC2)nn(C)c1C CCOC(=O)[*:1] Cc1c(c(nn1C)S(=O)(=O)N1CCCC1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H](c3ccccc3)CN(C(=O)c3cccc(F)c3)C2)C1 CCOC(=O)[*:1] O=C(c1cccc(F)c1)N1C[C@H](C[C@@H](C1)c1ccccc1)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H](c3ccccc3)CN(C(=O)c3cccc(F)c3)C2)C1 Fc1cccc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](CN(C1)C(=O)[*:1])c1ccccc1
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H](c3ccccc3)CN(C(=O)c3cccc(F)c3)C2)C1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]1C[C@H](CN(C1)C(=O)c1cccc(F)c1)[*:1]
COc1ccc(-n2nnc(N)c2C(C)C)cc1C CC(C)[*:1] COc1ccc(cc1C)-n1nnc(N)c1[*:1]
CCSc1cncc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)n1 CCS[*:1] c1ncc(nc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1)[*:1]
CCSc1cncc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)n1 C1CC1[*:1] CCSc1cncc(n1)Sc1nnc([C@@H]2CCC[NH2+]C2)n1[*:1]
Cc1cc(NC(=O)C(=O)NCc2ccc(Cl)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 Clc1ccc(cc1)C[*:1] Cc1cc(NC(=O)C(=O)N[*:1])n(n1)-c1nc(C)c(C)c(=O)[nH]1
Cc1cc(NC(=O)C(=O)NCc2ccc(Cl)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 Clc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)NC[*:1])n(n1)-c1nc(C)c(C)c(=O)[nH]1
Cc1cc(NC(=O)C(=O)NCc2ccc(Cl)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 Cc1nc([nH]c(=O)c1C)[*:1] Cc1cc(NC(=O)C(=O)NCc2ccc(Cl)cc2)n(n1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1 c1ccc2c(c[nH]c2c1)C[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN(C1)C(=O)CCc1c[nH]c2ccccc12
CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H]1CCCN(C1)C(=O)CC[*:1]
CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1 CC(=O)c1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)CCc1c[nH]c2ccccc12
O=C(NC1CC1)c1ccc(/C=C\C([O-])=N\S(=O)(=O)/C=C\c2ccccc2)cc1 O=C(NC1CC1)[*:1] O=S(=O)(/C=C\c1ccccc1)/N=C([O-])/C=C\c1ccc(cc1)[*:1]
O=C(NC1CC1)c1ccc(/C=C\C([O-])=N\S(=O)(=O)/C=C\c2ccccc2)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(/C=C\C([O-])=N\S(=O)(=O)/C=C\c2ccccc2)cc1
O=C(NC1CC1)c1ccc(/C=C\C([O-])=N\S(=O)(=O)/C=C\c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NC1CC1)c1ccc(/C=C\C([O-])=N\S(=O)(=O)C=C[*:1])cc1
O=C(NC1CC1)c1ccc(/C=C\C([O-])=N\S(=O)(=O)/C=C\c2ccccc2)cc1 C(=C[*:1])c1ccccc1 O=C(NC1CC1)c1ccc(/C=C\C([O-])=N\S(=O)(=O)[*:1])cc1
Cc1cccc(-c2noc(CNc3ccc(C(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)n2)c1 Cc1cccc(c1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(cc1)NCc1nc(no1)[*:1]
CC[C@@H](O)CN1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 CC(C)[*:1] CC[C@@H](O)CN1CCN(CC1)C(=O)[C@@H]([NH+]1CCCC1)[*:1]
CC[C@@H](O)CN1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 CC[C@@H](O)[*:1] CC(C)[C@H](C(=O)N1CCN(CC1)C[*:1])[NH+]1CCCC1
CC[C@@H](O)CN1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 CC[C@@H](O)C[*:1] CC(C)[C@H](C(=O)N1CCN(CC1)[*:1])[NH+]1CCCC1
CCn1c(S[C@H](C)C(=O)NCc2cccs2)nc2ccsc2c1=O c1csc(c1)C[*:1] CCn1c(nc2ccsc2c1=O)S[C@H](C)C(=O)N[*:1]
CCn1c(S[C@H](C)C(=O)NCc2cccs2)nc2ccsc2c1=O c1csc(c1)[*:1] CCn1c(nc2ccsc2c1=O)S[C@H](C)C(=O)NC[*:1]
CCCCc1cc(NC(=O)c2ccc(SCC)nc2)[nH]n1 CCC[*:1] CCSc1ccc(cn1)C(=O)Nc1cc(C[*:1])n[nH]1
CCCCc1cc(NC(=O)c2ccc(SCC)nc2)[nH]n1 CCS[*:1] CCCCc1cc(NC(=O)c2ccc(nc2)[*:1])[nH]n1
CCCCc1cc(NC(=O)c2ccc(SCC)nc2)[nH]n1 CCCC[*:1] CCSc1ccc(cn1)C(=O)Nc1cc(n[nH]1)[*:1]
COC(=O)c1cc(NC(=O)C2CCCC2)cc(C(=O)OC)c1 COC(=O)[*:1] COC(=O)c1cc(cc(c1)[*:1])NC(=O)C1CCCC1
COC(=O)c1cc(NC(=O)C2CCCC2)cc(C(=O)OC)c1 C1CCC(C1)[*:1] COC(=O)c1cc(cc(c1)C(=O)OC)NC(=O)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)Cn2nc(-c3ccccc3)ccc2=O)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Cn1nc(ccc1=O)[*:1]
CC(=O)Nc1ccccc1[C@@H]([NH3+])CO CC(=O)N[*:1] [NH3+][C@@H](CO)c1ccccc1[*:1]
COc1ccc(-c2nn(C[NH+]3CCc4cc(OC)c(OC)cc4C3)c(=S)[nH]2)cc1 COc1ccc(cc1)[*:1] COc1cc2CC[NH+](Cc2cc1OC)Cn1nc([nH]c1=S)[*:1]
Cc1ccc([C@H](Nc2ccc(Cl)c(Br)c2)C(=O)[O-])s1 O=C([O-])[*:1] Cc1ccc(s1)[C@H](Nc1ccc(Cl)c(Br)c1)[*:1]
Cc1ccc([C@H](Nc2ccc(Cl)c(Br)c2)C(=O)[O-])s1 Cc1ccc(s1)[*:1] O=C([O-])[C@@H](Nc1ccc(Cl)c(Br)c1)[*:1]
c1cc(C[NH2+]Cc2ccc(-n3cccn3)cc2)cc(Cn2cncn2)c1 c1ncn(C[*:1])n1 c1cc(cc(c1)[*:1])C[NH2+]Cc1ccc(cc1)-n1cccn1
c1cc(C[NH2+]Cc2ccc(-n3cccn3)cc2)cc(Cn2cncn2)c1 c1ncn(n1)[*:1] c1cc(cc(c1)C[*:1])C[NH2+]Cc1ccc(cc1)-n1cccn1
c1cc(C[NH2+]Cc2ccc(-n3cccn3)cc2)cc(Cn2cncn2)c1 c1cnn(c1)[*:1] c1cc(cc(c1)Cn1cncn1)C[NH2+]Cc1ccc(cc1)[*:1]
Cc1cc(Cl)ccc1OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] Cc1cc(Cl)ccc1OC[C@H](O)CN1CCN(CC1)[*:1]
Cc1cc(Cl)ccc1OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 Cc1cc(Cl)ccc1[*:1] O[C@@H](CO[*:1])CN1CCN(CC1)c1cccc(Cl)c1
Cc1c(C(=O)OCC(=O)Nc2ccccc2C(N)=O)oc2ccccc12 NC(=O)[*:1] Cc1c(oc2ccccc12)C(=O)OCC(=O)Nc1ccccc1[*:1]
Cc1ccc(NC(=O)c2c(C)oc3c2C2=NCC[N+]2=CN3)cc1 Cc1ccc(cc1)[*:1] Cc1oc2NC=[N+]3CCN=C3c2c1C(=O)N[*:1]
C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CCO1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(CCO1)C(=O)c1nn(c2CCCc12)[*:1]
Cc1ccc2c(c1)CCN2C(=O)N[C@H](C)CC1CC1 C1CC1C[*:1] Cc1ccc2c(c1)CCN2C(=O)N[C@H](C)[*:1]
Cc1ccc2c(c1)CCN2C(=O)N[C@H](C)CC1CC1 C1CC1[*:1] Cc1ccc2c(c1)CCN2C(=O)N[C@H](C)C[*:1]
Cc1ccc2c(c1)CCN2C(=O)N[C@H](C)CC1CC1 C[C@H](CC1CC1)[*:1] Cc1ccc2c(c1)CCN2C(=O)N[*:1]
CC(C)COc1cncc(N2CCC(C(=O)N3CCCC3)CC2)n1 CC(C)CO[*:1] O=C(C1CCN(CC1)c1cncc(n1)[*:1])N1CCCC1
CC(C)COc1cncc(N2CCC(C(=O)N3CCCC3)CC2)n1 CC(C)C[*:1] O=C(C1CCN(CC1)c1cncc(n1)O[*:1])N1CCCC1
CC(C)COc1cncc(N2CCC(C(=O)N3CCCC3)CC2)n1 CC(C)[*:1] O=C(C1CCN(CC1)c1cncc(n1)OC[*:1])N1CCCC1
CC(C)COc1cncc(N2CCC(C(=O)N3CCCC3)CC2)n1 O=C(N1CCCC1)[*:1] CC(C)COc1cncc(n1)N1CCC(CC1)[*:1]
CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ccc(Cl)nn2)cc1 CC(=O)NCC[*:1] C[C@H](Sc1ccc(Cl)nn1)C(=O)c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ccc(Cl)nn2)cc1 Clc1ccc(nn1)S[*:1] CC(=O)NCCc1ccc(cc1)C(=O)[C@H](C)[*:1]
CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ccc(Cl)nn2)cc1 CC(=O)NC[*:1] C[C@H](Sc1ccc(Cl)nn1)C(=O)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ccc(Cl)nn2)cc1 Clc1ccc(nn1)[*:1] CC(=O)NCCc1ccc(cc1)C(=O)[C@H](C)S[*:1]
CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ccc(Cl)nn2)cc1 CC(=O)N[*:1] C[C@H](Sc1ccc(Cl)nn1)C(=O)c1ccc(cc1)CC[*:1]
Cc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c12 Fc1ccc(cc1)[*:1] Cc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)[*:1])c(=O)[nH]c12
Cc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c12 c1csc(c1)C[*:1] Cc1cccc2cc(CN(S(=O)(=O)c3ccc(F)cc3)[*:1])c(=O)[nH]c12
Cc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c12 c1csc(c1)[*:1] Cc1cccc2cc(CN(C[*:1])S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c12
C[NH+]1CCN(n2ccc3c(cnc4nc(-c5ccncc5)nn43)c2=O)CC1 c1cc(ccn1)[*:1] C[NH+]1CCN(CC1)n1ccc2c(cnc3nc(nn32)[*:1])c1=O
CCCNC(=S)NC(=O)c1cc(OC)cc(OC)c1 CCC[*:1] COc1cc(cc(c1)C(=O)NC(=S)N[*:1])OC
Cc1cc(C(=O)N(C)C2CCCCC2)c2cnn(-c3ccccc3F)c2n1 Fc1ccccc1[*:1] Cc1cc(C(=O)N(C)C2CCCCC2)c2cnn(c2n1)[*:1]
Cc1cc(C(=O)N(C)C2CCCCC2)c2cnn(-c3ccccc3F)c2n1 C1CCC(CC1)[*:1] Cc1cc(C(=O)N(C)[*:1])c2cnn(-c3ccccc3F)c2n1
O=C1CCN(C(=O)c2ccccc2)c2ccccc2N1C[C@@H]1CC1(Cl)Cl c1ccc(cc1)[*:1] O=C1CCN(C(=O)[*:1])c2ccccc2N1C[C@@H]1CC1(Cl)Cl
Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C Cc1ccccc1[*:1] CC(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)[*:1]
Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C Fc1ccc(cc1)OC[*:1] Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1[*:1])C(C)C
Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C Fc1ccc(cc1)O[*:1] Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1C[*:1])C(C)C
Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C Fc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1CO[*:1])C(C)C
Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)[*:1]
O=C(Nc1ccc(F)cc1OCC(F)F)c1ccncc1Cl Clc1cnccc1[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)[*:1]
O=C(Nc1ccc(F)cc1OCC(F)F)c1ccncc1Cl FC(F)C[*:1] O=C(Nc1ccc(F)cc1O[*:1])c1ccncc1Cl
O=C(Nc1ccc(F)cc1OCC(F)F)c1ccncc1Cl FC(F)CO[*:1] O=C(Nc1ccc(F)cc1[*:1])c1ccncc1Cl
O=C(Nc1ccc(F)cc1OCC(F)F)c1ccncc1Cl FC(F)[*:1] O=C(Nc1ccc(F)cc1OC[*:1])c1ccncc1Cl
C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)COC2 C[C@H]1CCC[C@H]1[*:1] O=C(Nc1ccc2COCc2c1)N[*:1]
Cc1c(F)cccc1-n1nnc(C(=O)NCc2ccccn2)c1C Cc1c(F)cccc1[*:1] Cc1c(nnn1[*:1])C(=O)NCc1ccccn1
Cc1c(F)cccc1-n1nnc(C(=O)NCc2ccccn2)c1C c1ccc(C[*:1])nc1 Cc1c(F)cccc1-n1nnc(C(=O)N[*:1])c1C
Cc1c(F)cccc1-n1nnc(C(=O)NCc2ccccn2)c1C c1ccc(nc1)[*:1] Cc1c(F)cccc1-n1nnc(C(=O)NC[*:1])c1C
O=C(NNC(=O)C1CC1)c1sccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NNC(=O)C1CC1)c1sccc1[*:1]
O=C(NNC(=O)C1CC1)c1sccc1-c1ccccc1 C1CC1[*:1] O=C(NNC(=O)[*:1])c1sccc1-c1ccccc1
CC(C)(c1ccccc1)c1ccc(OC[C@H](O)CN2C(=O)[C@@H]3CCCCN3C2=O)cc1 c1ccc(cc1)[*:1] CC(C)(c1ccc(cc1)OC[C@H](O)CN1C(=O)[C@@H]2CCCCN2C1=O)[*:1]
CC(C)(c1ccccc1)c1ccc(OC[C@H](O)CN2C(=O)[C@@H]3CCCCN3C2=O)cc1 CC(C)(c1ccccc1)[*:1] O=C1[C@@H]2CCCCN2C(=O)N1C[C@@H](O)COc1ccc(cc1)[*:1]
CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCc1ccccc1 c1ccc(cc1)CC[*:1] CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2[*:1]
CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCc1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CC[*:1]
CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCc1ccccc1 c1ccc(cc1)C[*:1] CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2C[*:1]
CCCCC[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1 CCCCC[*:1] C[C@@H](Nc1ccc(cn1)C(=O)N(C)C)[*:1]
CCCCC[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1 CCCC[*:1] C[C@H](C[*:1])Nc1ccc(cn1)C(=O)N(C)C
CCCCC[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1 CN(C)C(=O)[*:1] CCCCC[C@@H](C)Nc1ccc(cn1)[*:1]
CCCCC[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1 CCC[*:1] C[C@H](CC[*:1])Nc1ccc(cn1)C(=O)N(C)C
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CN3CCCCC3=O)C2)CC1 O=C1CCCCN1C[*:1] COc1ccccc1N1CC[NH+](CC1)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CN3CCCCC3=O)C2)CC1 COc1ccccc1[*:1] O=C1CCCCN1CC(=O)N1CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CN3CCCCC3=O)C2)CC1 O=C1CCCCN1[*:1] COc1ccccc1N1CC[NH+](CC1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CC(C)N(C)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1ccc[nH]1)C2 CC(C)[*:1] CN(S(=O)(=O)c1ccc2CN(CCc2c1)C(=O)c1ccc[nH]1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1ccc[nH]1)C2 c1c[nH]c(c1)[*:1] CC(C)N(C)S(=O)(=O)c1ccc2CN(CCc2c1)C(=O)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1ccc[nH]1)C2 CC(C)N(C)S(=O)(=O)[*:1] O=C(c1ccc[nH]1)N1CCc2cc(ccc2C1)[*:1]
NC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1O NC(=O)NC[*:1] O=C(c1cc(Cl)ccc1O)N1CCCC[C@H]1[*:1]
NC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1O NC(=O)N[*:1] O=C(c1cc(Cl)ccc1O)N1CCCC[C@H]1C[*:1]
Cc1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
COc1ccc(C(=O)N(C)Cc2ccccn2)cc1-c1ccccn1 c1ccc(nc1)[*:1] COc1ccc(cc1[*:1])C(=O)N(C)Cc1ccccn1
COc1ccc(C(=O)N(C)Cc2ccccn2)cc1-c1ccccn1 c1ccc(C[*:1])nc1 COc1ccc(cc1-c1ccccn1)C(=O)N(C)[*:1]
COc1ccc(C(=O)N(C)Cc2ccccn2)cc1-c1ccccn1 c1ccc(nc1)[*:1] COc1ccc(cc1-c1ccccn1)C(=O)N(C)C[*:1]
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] C[C@H]1CC[C@@H](CN1C(=O)c1nc(n2ccccc12)[*:1])C(N)=O
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1nc(C2CC2)n2ccccc12 NC(=O)[*:1] C[C@H]1CC[C@H](CN1C(=O)c1nc(C2CC2)n2ccccc12)[*:1]
COc1cc(C(=O)NC(=S)Nc2ccc(Br)c(Cl)c2)cc(OC)c1OC Clc1cc(ccc1Br)[*:1] COc1cc(cc(OC)c1OC)C(=O)NC(=S)N[*:1]
CC(C)[C@@H](CO)NC(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[C@@H](CO)NC(=O)c1cccc(c1)[*:1]
CC(C)[C@@H](CO)NC(=O)c1cccc(C(F)(F)F)c1 CC(C)[*:1] O=C(N[C@H](CO)[*:1])c1cccc(c1)C(F)(F)F
CC(C)[C@@H](CO)NC(=O)c1cccc(C(F)(F)F)c1 CC(C)[C@@H](CO)[*:1] O=C(N[*:1])c1cccc(c1)C(F)(F)F
C/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1)c1ccncc1 c1cc(ccn1)[*:1] CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)[*:1]
C/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1)c1ccncc1 Cc1ccc(cc1)[*:1] C/C(=N\NC(=O)C(=O)N[*:1])c1ccncc1
CC[NH2+][C@@]1(CO)CC[C@@H](n2cc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] CC[NH2+][C@@]1(CO)CC[C@H](C1)n1cc(cn1)[*:1]
N#CCCCCO[C@@H]1CCC[C@H]([NH3+])C1 N#CCC[*:1] [NH3+][C@H]1CCC[C@H](C1)OCC[*:1]
N#CCCCCO[C@@H]1CCC[C@H]([NH3+])C1 N#CC[*:1] [NH3+][C@H]1CCC[C@H](C1)OCCC[*:1]
O=C(CNC(=O)c1ccc(-n2cccc2)cc1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CNC(=O)c1ccc(cc1)-n1cccc1)N[*:1]
O=C(CNC(=O)c1ccc(-n2cccc2)cc1)Nc1cccc(F)c1 c1ccn(c1)[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])Nc1cccc(F)c1
O=C(CSc1nnc(N2CCCCC2)n1C1CC1)N1CCCCCCC1 C1CC1[*:1] O=C(CSc1nnc(N2CCCCC2)n1[*:1])N1CCCCCCC1
O=C(CSc1nnc(N2CCCCC2)n1C1CC1)N1CCCCCCC1 C1CCN(CC1)[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])N1CCCCCCC1
COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+](C)CC2)c1 COc1ccccc1[*:1] Cc1ccc(cc1C(=O)N1CC[NH+](C)CC1)S(=O)(=O)N(C)[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C(=O)N1CCC[C@@H](C1)c1[nH]cc[nH+]1)[*:1]
O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1CCCC1 C1CC1[*:1] O=C(CSc1nnc(-c2cccnc2)n1[*:1])N1CCCC1
O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1CCCC1 O=C(N1CCCC1)[*:1] c1cncc(c1)-c1nnc(SC[*:1])n1C1CC1
O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1CCCC1 c1cncc(c1)[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])N1CCCC1
CC(C)CC(=O)N1CCC(CC(=O)N2CCn3nc(-c4ccccc4)nc3C2)CC1 CC(C)[*:1] O=C(C[*:1])N1CCC(CC1)CC(=O)N1CCn2nc(nc2C1)-c1ccccc1
CC(C)CC(=O)N1CCC(CC(=O)N2CCn3nc(-c4ccccc4)nc3C2)CC1 CC(C)C[*:1] O=C(CC1CCN(CC1)C(=O)[*:1])N1CCn2nc(nc2C1)-c1ccccc1
CC(C)CC(=O)N1CCC(CC(=O)N2CCn3nc(-c4ccccc4)nc3C2)CC1 c1ccc(cc1)[*:1] CC(C)CC(=O)N1CCC(CC1)CC(=O)N1CCn2nc(nc2C1)[*:1]
CC[C@H](Nc1cc(C)cc(F)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](Nc1cc(C)cc(F)c1)c1cccc(c1)[*:1]
O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 O=C([O-])[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCCCC1)N1CCC[C@H]1[*:1]
CC(=O)N[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl O=[N+]([O-])[*:1] CC(=O)N[C@H](CC(=O)c1ccc(cc1)[*:1])C(Cl)(Cl)Cl
CC(=O)N[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl CC(=O)N[*:1] O=C(C[C@H](C(Cl)(Cl)Cl)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(=O)N[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CC(=O)N[C@H](CC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
NC(=O)c1ccc(NC(=O)NCc2ccc3c(c2)CCC3)cc1 NC(=O)[*:1] O=C(NCc1ccc2CCCc2c1)Nc1ccc(cc1)[*:1]
C[C@@H](OC[C@@H](O)COc1ccc2nccnc2c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](OC[C@@H](O)COc1ccc2nccnc2c1)[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1ccc(Br)s1 Brc1ccc(s1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2[*:1]
O=c1cc(CNc2cccc(F)c2)c2ccc(Br)cc2o1 Fc1cccc(c1)[*:1] O=c1cc(CN[*:1])c2ccc(Br)cc2o1
COc1ccccc1NC(=O)[C@H](C)Sc1nncs1 c1nnc(S[*:1])s1 COc1ccccc1NC(=O)[C@H](C)[*:1]
COc1ccccc1NC(=O)[C@H](C)Sc1nncs1 c1nnc(s1)[*:1] COc1ccccc1NC(=O)[C@H](C)S[*:1]
Cn1ncc([C@H](O)[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1N CS(=O)(=O)[*:1] Cn1ncc(c1N)[C@H](O)[C@H]1CCC[C@H](C1)[*:1]
c1ccc(-c2ncc(-c3nc(-c4cnccn4)no3)cn2)cc1 c1ccc(cc1)[*:1] c1cnc(cn1)-c1noc(n1)-c1cnc(nc1)[*:1]
c1ccc(-c2ncc(-c3nc(-c4cnccn4)no3)cn2)cc1 c1cnc(cn1)[*:1] c1ccc(cc1)-c1ncc(cn1)-c1nc(no1)[*:1]
CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(N3CCCC3)[nH+]c2)C1(C)C C1CCN(C1)[*:1] CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc([nH+]c2)[*:1])C1(C)C
CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(N3CCCC3)[nH+]c2)C1(C)C CC(C)=C[*:1] CC1(C)[C@@H](C(=O)Nc2ccc([nH+]c2)N2CCCC2)[C@H]1[*:1]
O=C(c1cccs1)C1CCN(C(=O)c2[nH]nc(C3CC3)c2Cl)CC1 C1CC1[*:1] O=C(c1cccs1)C1CCN(CC1)C(=O)c1[nH]nc(c1Cl)[*:1]
O=C(c1cccs1)C1CCN(C(=O)c2[nH]nc(C3CC3)c2Cl)CC1 O=C(c1cccs1)[*:1] O=C(c1[nH]nc(c1Cl)C1CC1)N1CCC(CC1)[*:1]
O=C(c1cccs1)C1CCN(C(=O)c2[nH]nc(C3CC3)c2Cl)CC1 c1csc(c1)[*:1] O=C(c1[nH]nc(c1Cl)C1CC1)N1CCC(CC1)C(=O)[*:1]
CCCCNC(=O)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 CCCCNC(=O)[*:1] c1cc2nnnn2nc1N1CCC[C@H](C1)[*:1]
CCCCNC(=O)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 CCCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc2nnnn2n1
CCCCNC(=O)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 CCC[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1ccc2nnnn2n1
CC[C@H](O)[C@H](C)c1ncnc(OC)c1[N+](=O)[O-] CC[C@H](O)[*:1] COc1ncnc(c1[N+](=O)[O-])[C@@H](C)[*:1]
CC[C@H](O)[C@H](C)c1ncnc(OC)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H](O)[C@H](C)c1ncnc(OC)c1[*:1]
CCC(=O)Nc1cccc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c1 CCC(=O)N[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)Nc1cccc(c1)[*:1]
Cc1csc([C@H](C)NC(=O)NNC(=O)c2ccc(C)s2)n1 Cc1ccc(s1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)NNC(=O)[*:1]
Cc1csc([C@H](C)NC(=O)NNC(=O)c2ccc(C)s2)n1 Cc1csc(n1)[*:1] Cc1ccc(s1)C(=O)NNC(=O)N[C@@H](C)[*:1]
Cc1cc(C)c(-c2cc(C(=O)Nc3ccc(Cl)c(C)c3)[nH]n2)c(O)c1 Cc1cc(ccc1Cl)[*:1] Cc1cc(C)c(-c2cc([nH]n2)C(=O)N[*:1])c(O)c1
c1ccc(-c2nc(CN3CC[NH2+]C4(CCCCC4)C3)co2)cc1 c1ccc(cc1)[*:1] c1oc(nc1CN1CC[NH2+]C2(CCCCC2)C1)[*:1]
N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1 c1ccc(nc1)[*:1] N#Cc1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
Cc1cc(C)c2oc([C@H]3CCCC[C@H]3C(=O)[O-])nc2c1 O=C([O-])[*:1] Cc1cc(C)c2oc(nc2c1)[C@H]1CCCC[C@@H]1[*:1]
Cc1nn(C)c2ncc(NC(=O)c3ccc(C(=O)OC(C)(C)C)cc3)cc12 CC(C)(C)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)c1ccc(cc1)C(=O)O[*:1]
Cc1nn(C)c2ncc(NC(=O)c3ccc(C(=O)OC(C)(C)C)cc3)cc12 CC(C)(C)OC(=O)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)c1ccc(cc1)[*:1]
C#CC[C@H](C)OC(=O)c1ccc(CCNC(N)=O)cc1 NC(=O)NCC[*:1] C#CC[C@H](C)OC(=O)c1ccc(cc1)[*:1]
C#CC[C@H](C)OC(=O)c1ccc(CCNC(N)=O)cc1 C#CC[*:1] C[C@H](OC(=O)c1ccc(cc1)CCNC(N)=O)[*:1]
C#CC[C@H](C)OC(=O)c1ccc(CCNC(N)=O)cc1 NC(=O)NC[*:1] C#CC[C@H](C)OC(=O)c1ccc(cc1)C[*:1]
C#CC[C@H](C)OC(=O)c1ccc(CCNC(N)=O)cc1 NC(=O)N[*:1] C#CC[C@H](C)OC(=O)c1ccc(cc1)CC[*:1]
Cc1nc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c(=O)[nH]c1C C1CO[C@@H](C1)C[*:1] Cc1nc(C(=O)Nc2cc(F)ccc2O[*:1])c(=O)[nH]c1C
Cc1nc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c(=O)[nH]c1C C1CO[C@@H](C1)[*:1] Cc1nc(C(=O)Nc2cc(F)ccc2OC[*:1])c(=O)[nH]c1C
Cc1nc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c(=O)[nH]c1C C1CO[C@@H](C1)CO[*:1] Cc1nc(C(=O)Nc2cc(F)ccc2[*:1])c(=O)[nH]c1C
Cc1ccccc1COC1CCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 c1cnn(c1)C[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)NC[C@@H](C)[*:1]
Cc1ccccc1COC1CCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 Cc1ccccc1CO[*:1] C[C@H](CNC(=O)N1CCC(CC1)[*:1])Cn1cccn1
Cc1ccccc1COC1CCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 c1cnn(c1)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)NC[C@@H](C)C[*:1]
Cc1ccccc1COC1CCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 Cc1ccccc1[*:1] C[C@H](CNC(=O)N1CCC(CC1)OC[*:1])Cn1cccn1
Cc1ccccc1COC1CCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 Cc1ccccc1C[*:1] C[C@H](CNC(=O)N1CCC(CC1)O[*:1])Cn1cccn1
O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CSc1nc(nc2ccc(F)cc12)-c1ccccc1)N[*:1]
O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(CSc1nc(nc2ccc(F)cc12)[*:1])Nc1ccccc1F
Cc1cc(=O)c(C(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)c[nH]1 c1ccc(cc1)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)N1C[C@@H](C)OC[C@H]1[*:1]
CCN1CCN(C(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)CC1 CCN1CCN(CC1)C(=O)[*:1] COc1cccc(c1)-c1cc(c2c(C)nn(c2n1)[C@H]1CCS(=O)(=O)C1)[*:1]
CCN1CCN(C(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)CC1 COc1cccc(c1)[*:1] CCN1CCN(CC1)C(=O)c1cc(nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 COc1ccc(cc1)O[*:1] Cc1ccc(cc1)[C@H](NC(=O)C[*:1])c1ccccc1
COc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)N[C@H](c1ccc(C)cc1)[*:1]
COc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)N[C@H](c1ccccc1)[*:1]
COc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](NC(=O)CO[*:1])c1ccccc1
COc1cc(-c2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)cc(OC)c1O c1ccc(cc1)[*:1] COc1cc(cc(OC)c1O)-c1nnc2n(C[*:1])c(=O)c3ccccc3n12
COc1cc(-c2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)cc(OC)c1O c1ccc(cc1)C[*:1] COc1cc(cc(OC)c1O)-c1nnc2n(c(=O)c3ccccc3n12)[*:1]
CN1C(=O)C[C@@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1ccc(Cl)cc1 N#CC1(CCCC1)[*:1] CN1C(=O)C[C@@H](NC(=O)[*:1])[C@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)C2(C#N)CCCC2)[C@@H]1[*:1]
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1coc2ccccc2c1=O O=c1c(coc2ccccc12)[*:1] COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2[*:1]
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1coc2ccccc2c1=O CC(C)[*:1] COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)O[*:1])[C@@H]2c1coc2ccccc2c1=O
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1coc2ccccc2c1=O CC(C)OC(=O)[*:1] COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C([C@@H]2c1coc2ccccc2c1=O)[*:1]
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1coc2ccccc2c1=O COc1ccccc1[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@H](C=1C(=O)OC(C)C)c1coc2ccccc2c1=O)[*:1]
CCNC(=O)CN(C)c1cc(C)c(N)c(C(=O)OC)c1 CCNC(=O)[*:1] COC(=O)c1cc(cc(C)c1N)N(C)C[*:1]
CCNC(=O)CN(C)c1cc(C)c(N)c(C(=O)OC)c1 COC(=O)[*:1] CCNC(=O)CN(C)c1cc(C)c(N)c(c1)[*:1]
CCNC(=O)CN(C)c1cc(C)c(N)c(C(=O)OC)c1 CCNC(=O)C[*:1] COC(=O)c1cc(cc(C)c1N)N(C)[*:1]
CC[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)C(=O)OC CC[C@@H](C(=O)OC)[*:1] Cn1c(=O)n(CC(=O)N[*:1])c2ccccc21
CC[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)[*:1]
C[S@](=O)c1ccc(NC(=O)N2CCC[C@H](O)C2)cc1F C[S@](=O)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])N1CCC[C@H](O)C1
O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccon1 c1cc(no1)[*:1] O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 c1ccc(nc1)[*:1] C[C@H](N(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 C[C@H](c1ccccn1)[*:1] CN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)[*:1]
O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C12CC3CC(CC(C3)C1)C2 O=[N+]([O-])[*:1] O=C(N1CCN(CC1)c1ccccc1[*:1])C12CC3CC(CC(C3)C1)C2
O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C12CC3CC(CC(C3)C1)C2 O=[N+]([O-])c1ccccc1[*:1] O=C(N1CCN(CC1)[*:1])C12CC3CC(CC(C3)C1)C2
C[NH+](C)CCN(C(=O)c1ccc(Br)cc1)c1nc2cc3c(cc2s1)OCCO3 Brc1ccc(cc1)[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2cc3OCCOc3cc2s1
CC(C)(C)c1ccc(C2(C(=O)OC[C@@H]3CCC(=O)N3)CC2)cc1 CC(C)(C)[*:1] O=C1CC[C@@H](COC(=O)C2(CC2)c2ccc(cc2)[*:1])N1
Cc1c(C(=O)COc2ccc(C(C)C)cc2)c([O-])n(Cc2ccccc2)c(=O)c1C#N c1ccc(cc1)C[*:1] Cc1c(C(=O)COc2ccc(cc2)C(C)C)c([O-])n(c(=O)c1C#N)[*:1]
Cc1c(C(=O)COc2ccc(C(C)C)cc2)c([O-])n(Cc2ccccc2)c(=O)c1C#N CC(C)[*:1] Cc1c(C(=O)COc2ccc(cc2)[*:1])c([O-])n(Cc2ccccc2)c(=O)c1C#N
Cc1c(C(=O)COc2ccc(C(C)C)cc2)c([O-])n(Cc2ccccc2)c(=O)c1C#N CC(C)c1ccc(cc1)O[*:1] Cc1c(C(=O)C[*:1])c([O-])n(Cc2ccccc2)c(=O)c1C#N
Cc1c(C(=O)COc2ccc(C(C)C)cc2)c([O-])n(Cc2ccccc2)c(=O)c1C#N c1ccc(cc1)[*:1] Cc1c(C(=O)COc2ccc(cc2)C(C)C)c([O-])n(C[*:1])c(=O)c1C#N
Cc1c(C(=O)COc2ccc(C(C)C)cc2)c([O-])n(Cc2ccccc2)c(=O)c1C#N CC(C)c1ccc(cc1)[*:1] Cc1c(C(=O)CO[*:1])c([O-])n(Cc2ccccc2)c(=O)c1C#N
Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)c2c(=O)[nH]c(=O)n(C)c2n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NC[C@H]([NH+]2CCCCC2)[*:1])c2c(=O)[nH]c(=O)n(C)c2n1
COc1ccnc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 COc1ccnc(c1)[*:1] Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[*:1]
C[C@H]1CCCC[C@H]1CNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 CC(C)(C)[*:1] C[C@H]1CCCC[C@H]1CNc1nc2c(cnn2[*:1])c(=O)[nH]1
O=C([O-])CNC(=O)/C=C/c1cccs1 O=C([O-])C[*:1] O=C(/C=C/c1cccs1)N[*:1]
O=C([O-])CNC(=O)/C=C/c1cccs1 O=C([O-])[*:1] O=C(/C=C/c1cccs1)NC[*:1]
CO[C@@H]1CCC[C@@H]1NC(=O)c1ccncc1C#CCO OCC#C[*:1] CO[C@@H]1CCC[C@@H]1NC(=O)c1ccncc1[*:1]
Cc1ccccc1[C@H]1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 Cc1ccccc1[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N1CC[C@@H](C1)[*:1]
Cc1ccccc1[C@H]1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 CS(=O)(=O)[*:1] Cc1ccccc1[C@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
COc1c(Br)cc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COc1c(Br)cc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1C[*:1]
COc1c(Br)cc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] COc1c(Br)cc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1[*:1]
CC(C)(C)NC(=O)N/N=C\c1[nH]ncc1Br CC(C)(C)[*:1] O=C(N/N=C\c1[nH]ncc1Br)N[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C)s1 Cc1ccc(s1)[*:1] COC(=O)C1=C(C)NC2C[C@@H](CC(=O)C=2[C@H]1[*:1])c1cccs1
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C)s1 c1csc(c1)[*:1] COC(=O)C1=C(C)NC2C[C@H](CC(=O)C=2[C@@H]1c1ccc(C)s1)[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C)s1 COC(=O)[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@@H](C=1[*:1])c1ccc(C)s1)c1cccs1
C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC[C@H]1CCCO1 C1CC1[*:1] C[C@H](Sc1nnc(-c2cccs2)n1[*:1])C(=O)NC[C@H]1CCCO1
C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[*:1]
C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC[*:1]
C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC[C@H]1CCCO1 c1csc(c1)[*:1] C[C@H](Sc1nnc(n1C1CC1)[*:1])C(=O)NC[C@H]1CCCO1
Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(C[NH+](C)C)cc1 c1ccc(cc1)[*:1] Cc1oc(nc1CC(=O)NCc1ccc(cc1)C[NH+](C)C)[*:1]
CCOc1ccc([C@@H](N)C(F)(F)C(F)F)cc1 FC(F)[*:1] CCOc1ccc(cc1)[C@@H](N)C(F)(F)[*:1]
CCOc1ccc([C@@H](N)C(F)(F)C(F)F)cc1 CCO[*:1] N[C@H](c1ccc(cc1)[*:1])C(F)(F)C(F)F
CCCCSc1nnc2c(n1)O[C@@H](CC)Nc1ccccc1-2 CCCC[*:1] CC[C@H]1Nc2ccccc2-c2nnc(nc2O1)S[*:1]
CCCCSc1nnc2c(n1)O[C@@H](CC)Nc1ccccc1-2 CCCCS[*:1] CC[C@H]1Nc2ccccc2-c2nnc(nc2O1)[*:1]
CCCCSc1nnc2c(n1)O[C@@H](CC)Nc1ccccc1-2 CCC[*:1] CC[C@H]1Nc2ccccc2-c2nnc(nc2O1)SC[*:1]
C[C@@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1 C1CCC(CC1)[*:1] C[C@@H]([NH2+][C@H]1C[C@H]1[*:1])c1ccc2[nH]c(=O)[nH]c2c1
Cn1c(CN2CCN(C(=O)C3CCCC3)CC2)nc2cc(Cl)ccc21 C1CCC(C1)[*:1] Cn1c(CN2CCN(CC2)C(=O)[*:1])nc2cc(Cl)ccc21
Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)NCC(C)(C)C CC(C)(C)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)NC[*:1])-c1cccnc1
Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)NCC(C)(C)C CC(C)(C)CNC(=O)[*:1] Cc1nc([nH]c(=O)c1CC[*:1])-c1cccnc1
Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)NCC(C)(C)C CC(C)(C)C[*:1] Cc1nc([nH]c(=O)c1CCC(=O)N[*:1])-c1cccnc1
Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)NCC(C)(C)C c1cncc(c1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)NCC(C)(C)C)[*:1]
Cc1cc(N[C@H](C(=O)NC2CC2)c2ccccc2)ccc1C(=O)NC(C)C CC(C)[*:1] Cc1cc(ccc1C(=O)N[*:1])N[C@H](C(=O)NC1CC1)c1ccccc1
Cc1cc(N[C@H](C(=O)NC2CC2)c2ccccc2)ccc1C(=O)NC(C)C C1CC1[*:1] Cc1cc(ccc1C(=O)NC(C)C)N[C@H](C(=O)N[*:1])c1ccccc1
Cc1cc(N[C@H](C(=O)NC2CC2)c2ccccc2)ccc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1cc(ccc1[*:1])N[C@H](C(=O)NC1CC1)c1ccccc1
Cc1cc(N[C@H](C(=O)NC2CC2)c2ccccc2)ccc1C(=O)NC(C)C c1ccc(cc1)[*:1] Cc1cc(ccc1C(=O)NC(C)C)N[C@H](C(=O)NC1CC1)[*:1]
Cc1cc(N[C@H](C(=O)NC2CC2)c2ccccc2)ccc1C(=O)NC(C)C O=C(NC1CC1)[*:1] Cc1cc(ccc1C(=O)NC(C)C)N[C@H](c1ccccc1)[*:1]
CC[NH+](CC)[C@H](CNC1=NS(=O)(=O)c2ccccc21)c1ccsc1 c1cc(cs1)[*:1] CC[NH+](CC)[C@H](CNC1=NS(=O)(=O)c2ccccc21)[*:1]
CC[C@H](C)Oc1cccc(NCc2c(C)nn(CC)c2C)c1 CC[C@H](C)O[*:1] CCn1nc(C)c(CNc2cccc(c2)[*:1])c1C
CC[C@H](C)Oc1cccc(NCc2c(C)nn(CC)c2C)c1 CC[C@H](C)[*:1] CCn1nc(C)c(CNc2cccc(c2)O[*:1])c1C
Cc1cc([C@@H](C)NC(=O)c2nc[nH]n2)c(C)o1 c1nc(n[nH]1)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)[*:1]
CCN(CC(F)(F)F)C(=O)c1cc(C)c(C#CCO)s1 OCC#C[*:1] CCN(CC(F)(F)F)C(=O)c1cc(C)c(s1)[*:1]
CCN(CC(F)(F)F)C(=O)c1cc(C)c(C#CCO)s1 FC(F)(F)C[*:1] CCN(C(=O)c1cc(C)c(C#CCO)s1)[*:1]
CCN(CC(F)(F)F)C(=O)c1cc(C)c(C#CCO)s1 FC(F)(F)[*:1] CCN(C[*:1])C(=O)c1cc(C)c(C#CCO)s1
COC(=O)c1cc(C(=O)Nc2cn(C)nc2-c2ccccc2)ccn1 COC(=O)[*:1] Cn1cc(NC(=O)c2ccnc(c2)[*:1])c(n1)-c1ccccc1
COC(=O)c1cc(C(=O)Nc2cn(C)nc2-c2ccccc2)ccn1 c1ccc(cc1)[*:1] COC(=O)c1cc(ccn1)C(=O)Nc1cn(C)nc1[*:1]
O=C(NC[C@]1(O)CCOc2ccccc21)C1CCC1 C1CC(C1)[*:1] O=C(NC[C@]1(O)CCOc2ccccc21)[*:1]
CONC(=O)COc1ccccc1OCC(F)(F)F FC(F)(F)C[*:1] CONC(=O)COc1ccccc1O[*:1]
CONC(=O)COc1ccccc1OCC(F)(F)F CONC(=O)C[*:1] FC(F)(F)COc1ccccc1O[*:1]
CONC(=O)COc1ccccc1OCC(F)(F)F FC(F)(F)CO[*:1] CONC(=O)COc1ccccc1[*:1]
CONC(=O)COc1ccccc1OCC(F)(F)F CONC(=O)[*:1] FC(F)(F)COc1ccccc1OC[*:1]
CONC(=O)COc1ccccc1OCC(F)(F)F FC(F)(F)[*:1] CONC(=O)COc1ccccc1OC[*:1]
CN(C)S(=O)(=O)c1ccc(SC[C@@H]2CCCO2)nc1 C1CO[C@@H](C1)[*:1] CN(C)S(=O)(=O)c1ccc(nc1)SC[*:1]
CN(C)S(=O)(=O)c1ccc(SC[C@@H]2CCCO2)nc1 CN(C)S(=O)(=O)[*:1] c1cc(ncc1[*:1])SC[C@@H]1CCCO1
CN(C)S(=O)(=O)c1ccc(SC[C@@H]2CCCO2)nc1 C1CO[C@@H](C1)C[*:1] CN(C)S(=O)(=O)c1ccc(nc1)S[*:1]
CCCCNC(=O)c1cc([N+](=O)[O-])cnc1OC CCCC[*:1] COc1ncc(cc1C(=O)N[*:1])[N+](=O)[O-]
CCCCNC(=O)c1cc([N+](=O)[O-])cnc1OC O=[N+]([O-])[*:1] CCCCNC(=O)c1cc(cnc1OC)[*:1]
CCCCNC(=O)c1cc([N+](=O)[O-])cnc1OC CCC[*:1] COc1ncc(cc1C(=O)NC[*:1])[N+](=O)[O-]
CSc1nc([O-])nc(C)c1C(=O)N[C@H](C)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CSc1nc([O-])nc(C)c1C(=O)N[C@H](C)[C@H](C)[*:1]
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)[C@@H](C)NC(=O)c1ccc(c(C)c1)[*:1]
Cc1c(NC(=O)CSc2nc3ccccc3c(=O)n2C(C)C)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)CSc1nc2ccccc2c(=O)n1C(C)C
Cc1c(NC(=O)CSc2nc3ccccc3c(=O)n2C(C)C)cccc1[N+](=O)[O-] CC(C)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CCc1sc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1C CS(=O)(=O)[*:1] CCc1sc(cc1C)C(=O)N(C)[C@@H]1CCCC[C@H]1[*:1]
CC[NH+](CC)[C@@H]1CCN(Cc2nnnn2-c2ccccc2)C1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@@H]1CCN(Cc2nnnn2[*:1])C1
Cc1cnn(C[C@@H](C)NCc2ccc(C#N)cc2F)c1 Cc1cnn(c1)[*:1] C[C@H](C[*:1])NCc1ccc(C#N)cc1F
COc1ccc2c(Cn3nc(-c4ccco4)oc3=O)cc(=O)oc2c1 c1coc(c1)[*:1] COc1ccc2c(cc(=O)oc2c1)Cn1nc(oc1=O)[*:1]
CC[C@@H](C)[C@@H](O)CSc1cccc(Br)c1 CC[C@@H](C)[*:1] O[C@@H](CSc1cccc(Br)c1)[*:1]
C[C@H](NCc1cccc(N(C)C)[nH+]1)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] C[C@H](NCc1cccc([nH+]1)N(C)C)c1ccc(cc1)[*:1]
C[C@H](NCc1cccc(N(C)C)[nH+]1)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)[*:1] C[C@H](NCc1cccc([nH+]1)[*:1])c1ccc(cc1)S(=O)(=O)N(C)C
Cc1nc(-c2ccccc2)sc1COc1cccnc1Cl c1ccc(cc1)[*:1] Cc1nc(sc1COc1cccnc1Cl)[*:1]
Cc1nc(-c2ccccc2)sc1COc1cccnc1Cl Clc1ncccc1[*:1] Cc1nc(sc1CO[*:1])-c1ccccc1
C[C@@H](c1ccccn1)[C@@H](Cl)c1ccccc1OC(F)F FC(F)[*:1] C[C@@H](c1ccccn1)[C@@H](Cl)c1ccccc1O[*:1]
C[C@@H](c1ccccn1)[C@@H](Cl)c1ccccc1OC(F)F c1ccc(nc1)[*:1] C[C@@H]([C@@H](Cl)c1ccccc1OC(F)F)[*:1]
C[C@@H](c1ccccn1)[C@@H](Cl)c1ccccc1OC(F)F FC(F)O[*:1] C[C@@H](c1ccccn1)[C@@H](Cl)c1ccccc1[*:1]
Cc1ccc2c(c1)O[C@@H](C(=O)[O-])CC2=O O=C([O-])[*:1] Cc1ccc2C(=O)C[C@H](Oc2c1)[*:1]
CN(Cc1cccnc1)C(=O)NCC1(c2ccc(F)cc2F)CC1 c1cncc(c1)[*:1] CN(C[*:1])C(=O)NCC1(CC1)c1ccc(F)cc1F
CN(Cc1cccnc1)C(=O)NCC1(c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] CN(Cc1cccnc1)C(=O)NCC1(CC1)[*:1]
CN(Cc1cccnc1)C(=O)NCC1(c2ccc(F)cc2F)CC1 c1cncc(c1)C[*:1] CN(C(=O)NCC1(CC1)c1ccc(F)cc1F)[*:1]
CCSC(=S)N1CCc2cc(O)c(OC)cc2[C@]1(C)C(=O)[O-] O=C([O-])[*:1] CCSC(=S)N1CCc2cc(O)c(cc2[C@@]1(C)[*:1])OC
NC1=[NH+]CC2(CCC(C(F)(F)F)CC2)N1c1ccccc1 c1ccc(cc1)[*:1] NC1=[NH+]CC2(CCC(CC2)C(F)(F)F)N1[*:1]
NC1=[NH+]CC2(CCC(C(F)(F)F)CC2)N1c1ccccc1 FC(F)(F)[*:1] NC1=[NH+]CC2(CCC(CC2)[*:1])N1c1ccccc1
C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)[C@H](C)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(Cc2cn(nc2-c2cccnc2)[*:1])[C@H](C)CO1
C[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)[C@H](C)CO1 c1cncc(c1)[*:1] C[C@@H]1CN(Cc2cn(nc2[*:1])-c2ccccc2)[C@H](C)CO1
O=C(NCc1ccccn1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 c1ccc(nc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1ncnc2[nH]cnc12
O=C(NCc1ccccn1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 c1ccc(C[*:1])nc1 O=C(N[*:1])[C@H]1CCCN(C1)c1ncnc2[nH]cnc12
O=C(N[C@@H](CO)c1ccco1)N[C@@H]1C[C@H]1c1ccccc1F c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])N[C@@H]1C[C@H]1c1ccccc1F
O=C(N[C@@H](CO)c1ccco1)N[C@@H]1C[C@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(N[C@@H](CO)c1ccco1)N[C@@H]1C[C@@H]1[*:1]
Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(Cc3cccnc3)CC2)c1 c1cncc(c1)[*:1] Cc1ccc(C)c(c1)C(=O)CCC(=O)N1CCN(CC1)C[*:1]
Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(Cc3cccnc3)CC2)c1 c1cncc(c1)C[*:1] Cc1ccc(C)c(c1)C(=O)CCC(=O)N1CCN(CC1)[*:1]
Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(Cc3cccnc3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CCC(=O)[*:1])N1CCN(CC1)Cc1cccnc1
COc1ccc2nc(CNc3ncc(F)c(N4CCOCC4)n3)[nH]c2c1 C1CN(CCO1)[*:1] COc1ccc2nc(CNc3ncc(F)c(n3)[*:1])[nH]c2c1
CCc1nn(C)cc1NC(=O)C(=O)N1CCN([C@@H](CC)CO)CC1 CCc1nn(C)cc1[*:1] CC[C@@H](CO)N1CCN(CC1)C(=O)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N1CCN([C@@H](CC)CO)CC1 CC[C@@H](CO)[*:1] CCc1nn(C)cc1NC(=O)C(=O)N1CCN(CC1)[*:1]
CCCC[C@@H](c1cccnc1)n1cnc2sc3c(c2c1=O)CCNC3 CCC[*:1] O=c1c2c3CCNCc3sc2ncn1[C@@H](C[*:1])c1cccnc1
CCCC[C@@H](c1cccnc1)n1cnc2sc3c(c2c1=O)CCNC3 CCCC[*:1] O=c1c2c3CCNCc3sc2ncn1[C@H](c1cccnc1)[*:1]
CCCC[C@@H](c1cccnc1)n1cnc2sc3c(c2c1=O)CCNC3 c1cncc(c1)[*:1] CCCC[C@@H](n1cnc2sc3CNCCc3c2c1=O)[*:1]
COc1ccc(Br)c(CC2(c3ccc(C)cc3)C[NH2+]C2)c1 Cc1ccc(cc1)[*:1] COc1ccc(Br)c(c1)CC1(C[NH2+]C1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCC2)c1 O=C(N[*:1])C1CCC1 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCC2)c1 C1CC(C1)[*:1] CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1C=C(COc2ccc3c(c2)CCCC3)ON1 c1cc2CCCCc2cc1[*:1] CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1C=C(CO[*:1])ON1
CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1C=C(COc2ccc3c(c2)CCCC3)ON1 Fc1ccc2[nH]c(cc2c1)[*:1] CN(C[*:1])C(=O)[C@H]1C=C(COc2ccc3CCCCc3c2)ON1
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c([N+](=O)[O-])c1 c1coc(c1)[*:1] Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c([N+](=O)[O-])c1 Cc1ccc(c(c1)[N+](=O)[O-])[*:1] O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N[*:1]
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c([N+](=O)[O-])c1 c1coc(c1)C[*:1] Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c(c1)[*:1]
CCN(C(=O)[C@@H](C)SCc1nc(-c2cccs2)no1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@@H](C)SCc1nc(no1)-c1cccs1)[*:1]
CCN(C(=O)[C@@H](C)SCc1nc(-c2cccs2)no1)c1ccccc1 c1csc(c1)[*:1] CCN(C(=O)[C@@H](C)SCc1nc(no1)[*:1])c1ccccc1
Cc1cc(C(=O)Cn2c(-c3ccccc3)noc2=O)c(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C(=O)Cn2c(noc2=O)[*:1])c(C)n1Cc1ccccc1
Cc1cc(C(=O)Cn2c(-c3ccccc3)noc2=O)c(C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)Cn2c(noc2=O)-c2ccccc2)c(C)n1[*:1]
Cc1cc(C(=O)Cn2c(-c3ccccc3)noc2=O)c(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C(=O)Cn2c(noc2=O)-c2ccccc2)c(C)n1C[*:1]
CCOc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O O=[N+]([O-])[*:1] CCOc1cc(ccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O)[*:1]
CCOc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O CCO[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(cc1[*:1])[N+](=O)[O-]
COc1cc(OC)cc(C(=O)N2CCN=C2SCc2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)N1CCN=C1SC[*:1])OC
COc1cc(OC)cc(C(=O)N2CCN=C2SCc2ccc(C)cc2)c1 Cc1ccc(cc1)C[*:1] COc1cc(cc(c1)C(=O)N1CCN=C1S[*:1])OC
CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)[*:1]
CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)[*:1]
CO[C@@H]1CCCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)NNc1cccc(c1)[*:1]
CCN(Cc1cccs1)C(=O)c1[nH]c(C)c(C(C)=O)c1C c1csc(c1)[*:1] CCN(C[*:1])C(=O)c1[nH]c(C)c(C(C)=O)c1C
CCN(Cc1cccs1)C(=O)c1[nH]c(C)c(C(C)=O)c1C c1csc(c1)C[*:1] CCN(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[*:1]
CCN(Cc1cccs1)C(=O)c1[nH]c(C)c(C(C)=O)c1C CC(=O)[*:1] CCN(Cc1cccs1)C(=O)c1[nH]c(C)c(c1C)[*:1]
CCS(=O)(=O)CCNC(=O)N[C@H](C)C(C)C CC(C)[*:1] CCS(=O)(=O)CCNC(=O)N[C@H](C)[*:1]
CCS(=O)(=O)CCNC(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CCS(=O)(=O)CCNC(=O)N[*:1]
CCS(=O)(=O)CCNC(=O)N[C@H](C)C(C)C CCS(=O)(=O)[*:1] CC(C)[C@@H](C)NC(=O)NCC[*:1]
C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NCCC#N)C1=O N#CC[*:1] C[C@@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1cccc2ccccc12
C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NCCC#N)C1=O N#CCCNC(=O)C[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])c1cccc2ccccc12
C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NCCC#N)C1=O N#CCC[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1cccc2ccccc12
C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NCCC#N)C1=O N#CCCNC(=O)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1cccc2ccccc12
CCc1nncn1CCNC(=O)Nc1cncc2ccccc12 CCc1nncn1[*:1] O=C(NCC[*:1])Nc1cncc2ccccc12
Cc1cc([C@H]([NH3+])CCCC(N)=O)sc1Br NC(=O)[*:1] Cc1cc(sc1Br)[C@H]([NH3+])CCC[*:1]
Cc1cc([C@H]([NH3+])CCCC(N)=O)sc1Br NC(=O)C[*:1] Cc1cc(sc1Br)[C@H]([NH3+])CC[*:1]
Cc1cc([C@H]([NH3+])CCCC(N)=O)sc1Br NC(=O)CC[*:1] Cc1cc(sc1Br)[C@H]([NH3+])C[*:1]
NC(=O)[C@@H]1COCCN1C(=O)c1cc2cc(F)ccc2o1 NC(=O)[*:1] O=C(c1cc2cc(F)ccc2o1)N1CCOC[C@H]1[*:1]
COC(=O)[C@@]1(F)CCN(c2cccc(C(F)(F)F)n2)C1 FC(F)(F)[*:1] COC(=O)[C@@]1(F)CCN(C1)c1cccc(n1)[*:1]
COC(=O)[C@@]1(F)CCN(c2cccc(C(F)(F)F)n2)C1 COC(=O)[*:1] FC(F)(F)c1cccc(n1)N1CC[C@](F)(C1)[*:1]
O=C([O-])c1cccc(F)c1N1CCN2C(=O)NC[C@@H]2C1 O=C([O-])[*:1] O=C1NC[C@@H]2CN(CCN12)c1c(F)cccc1[*:1]
CC1(C)C[NH+]=C(N2CCN(Cc3ncccc3C(F)(F)F)CC2)S1 FC(F)(F)[*:1] CC1(C)C[NH+]=C(S1)N1CCN(CC1)Cc1ncccc1[*:1]
O=C(/N=c1\sccn1Cc1ccccc1)c1cnc2sccn2c1=O c1ccc(cc1)C[*:1] O=C(/N=c1\sccn1[*:1])c1cnc2sccn2c1=O
O=C(/N=c1\sccn1Cc1ccccc1)c1cnc2sccn2c1=O c1ccc(cc1)[*:1] O=C(/N=c1\sccn1C[*:1])c1cnc2sccn2c1=O
COCCn1c(S[C@H](C)C(=O)N(C)C2CCCCC2)nc2cc(Cl)ccc2c1=O C1CCC(CC1)[*:1] COCCn1c(nc2cc(Cl)ccc2c1=O)S[C@H](C)C(=O)N(C)[*:1]
COCCn1c(S[C@H](C)C(=O)N(C)C2CCCCC2)nc2cc(Cl)ccc2c1=O COC[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[*:1])C(=O)N(C)C1CCCCC1
COCCn1c(S[C@H](C)C(=O)N(C)C2CCCCC2)nc2cc(Cl)ccc2c1=O COCC[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1[*:1])C(=O)N(C)C1CCCCC1
C[C@@H]1CN(C(=O)[C@H]2CCCS2)c2ccccc2S1 C1CS[C@H](C1)[*:1] C[C@@H]1CN(C(=O)[*:1])c2ccccc2S1
CCNS(=O)(=O)c1ccc(C(=O)N(CC)C2CCCCC2)cc1 C1CCC(CC1)[*:1] CCNS(=O)(=O)c1ccc(cc1)C(=O)N(CC)[*:1]
CCNS(=O)(=O)c1ccc(C(=O)N(CC)C2CCCCC2)cc1 CCNS(=O)(=O)[*:1] CCN(C(=O)c1ccc(cc1)[*:1])C1CCCCC1
O=C(C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)Nc1cccc(F)c1 Clc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc(no1)[*:1])Nc1cccc(F)c1
O=C(C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)Nc1cccc(F)c1 O=C(Nc1cccc(F)c1)[*:1] Clc1ccc(cc1)-c1noc(CN2CC[NH+](CC2)C[*:1])n1
O=C(C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc(no1)-c1ccc(Cl)cc1)N[*:1]
C[C@@](O)(CNc1ccc(C#N)cc1F)c1ccco1 c1coc(c1)[*:1] C[C@@](O)(CNc1ccc(C#N)cc1F)[*:1]
C/C=C(/C)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O CS(=O)(=O)[*:1] C/C=C(/C)C(=O)N(C)[C@H](C)[C@H](C)[*:1]
C/C=C(/C)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O CC=C(C)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)[*:1])S(C)(=O)=O
O=C(Nc1cc(F)c2[nH]c(=O)ccc2c1)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(Nc1cc(F)c2[nH]c(=O)ccc2c1)N[*:1]
O=S(=O)(NCCn1ncc2c(N3CCCCCC3)ncnc21)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=S(=O)(NCCn1ncc2c(ncnc21)N1CCCCCC1)[*:1]
O=S(=O)(NCCn1ncc2c(N3CCCCCC3)ncnc21)c1ccc(Cl)s1 C1CCCN(CC1)[*:1] O=S(=O)(NCCn1ncc2c(ncnc21)[*:1])c1ccc(Cl)s1
COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 c1cc2OCOc2cc1C[*:1] COc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)C(=O)NC[*:1]
COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)c1csc(n1)NS(=O)(=O)[*:1]
CS[C@H](C)C(=O)Oc1ccc(OCC2CC2)cc1 C1CC1[*:1] CS[C@H](C)C(=O)Oc1ccc(cc1)OC[*:1]
CS[C@H](C)C(=O)Oc1ccc(OCC2CC2)cc1 C1CC1C[*:1] CS[C@H](C)C(=O)Oc1ccc(cc1)O[*:1]
CS[C@H](C)C(=O)Oc1ccc(OCC2CC2)cc1 C1CC1CO[*:1] CS[C@H](C)C(=O)Oc1ccc(cc1)[*:1]
CCCc1c(C[NH2+]CC(C)C)cnn1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCCc1c(cnn1[*:1])C[NH2+]CC(C)C
CCCc1c(C[NH2+]CC(C)C)cnn1-c1ccc(Br)cc1 CC(C)[*:1] CCCc1c(cnn1-c1ccc(Br)cc1)C[NH2+]C[*:1]
CCCc1c(C[NH2+]CC(C)C)cnn1-c1ccc(Br)cc1 CC(C)C[*:1] CCCc1c(cnn1-c1ccc(Br)cc1)C[NH2+][*:1]
CCCc1c(C[NH2+]CC(C)C)cnn1-c1ccc(Br)cc1 CCC[*:1] CC(C)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1[*:1]
COc1ccc(N2C[C@H](C(=O)NCc3cc(-c4ccncc4)n(C4CCCC4)n3)CC2=O)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCc1cc(-c2ccncc2)n(n1)[*:1]
COc1ccc(N2C[C@H](C(=O)NCc3cc(-c4ccncc4)n(C4CCCC4)n3)CC2=O)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCc1cc(n(n1)C1CCCC1)[*:1]
COc1ccc(N2C[C@H](C(=O)NCc3cc(-c4ccncc4)n(C4CCCC4)n3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(NCc1cc(-c2ccncc2)n(n1)C1CCCC1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCc1cccs1)[C@H](Sc1ccccc1)c1ccccc1 c1csc(c1)[*:1] O=C(NCC[*:1])[C@H](Sc1ccccc1)c1ccccc1
O=C(NCCc1cccs1)[C@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1cccs1)[C@H](S[*:1])c1ccccc1
O=C(NCCc1cccs1)[C@H](Sc1ccccc1)c1ccccc1 c1csc(c1)CC[*:1] O=C(N[*:1])[C@H](Sc1ccccc1)c1ccccc1
O=C(NCCc1cccs1)[C@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)S[*:1] O=C(NCCc1cccs1)[C@H](c1ccccc1)[*:1]
O=C(NCCc1cccs1)[C@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1cccs1)[C@H](Sc1ccccc1)[*:1]
O=C(NCCc1cccs1)[C@H](Sc1ccccc1)c1ccccc1 c1csc(c1)C[*:1] O=C(NC[*:1])[C@H](Sc1ccccc1)c1ccccc1
N#CC1(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCCC1 N#CC1(CCCC1)[*:1] O=C(N1CCC(CC1)n1c(=O)[nH]c2ccccc21)[*:1]
COc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)NS(=O)(=O)c1ccccc1[*:1]
CCN(CCC(F)(F)F)Cc1c(Cl)nc2ccccn12 FC(F)(F)[*:1] CCN(CC[*:1])Cc1c(Cl)nc2ccccn12
CCN(CCC(F)(F)F)Cc1c(Cl)nc2ccccn12 FC(F)(F)C[*:1] CCN(Cc1c(Cl)nc2ccccn12)C[*:1]
CCN(CCC(F)(F)F)Cc1c(Cl)nc2ccccn12 FC(F)(F)CC[*:1] CCN(Cc1c(Cl)nc2ccccn12)[*:1]
C[C@@H](NCc1ccc(C(N)=O)o1)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NCc1ccc(o1)C(N)=O)C(C)(C)[*:1]
C[C@@H](NCc1ccc(C(N)=O)o1)C(C)(C)c1ccccc1 NC(=O)[*:1] C[C@@H](NCc1ccc(o1)[*:1])C(C)(C)c1ccccc1
COc1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccc4c(c3)OCO4)o2)c2ccccc2)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)NC(=O)[C@@H](Sc1nnc(o1)[*:1])c1ccccc1
COc1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccc4c(c3)OCO4)o2)c2ccccc2)c1 COc1cccc(c1)NC(=O)[*:1] c1ccc(cc1)[C@H](Sc1nnc(o1)-c1ccc2OCOc2c1)[*:1]
COc1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccc4c(c3)OCO4)o2)c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])[C@@H](Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccccc1
COc1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccc4c(c3)OCO4)o2)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H](Sc1nnc(o1)-c1ccc2OCOc2c1)[*:1]
C[C@H]1CN(C)C[C@H](C)N1C(=O)CCC(F)(F)F FC(F)(F)[*:1] C[C@H]1CN(C)C[C@H](C)N1C(=O)CC[*:1]
C[C@H]1CN(C)C[C@H](C)N1C(=O)CCC(F)(F)F FC(F)(F)C[*:1] C[C@H]1CN(C)C[C@H](C)N1C(=O)C[*:1]
COc1ccc(C=O)cc1OCC(=O)NC1CCC(C)CC1 CC1CCC(CC1)[*:1] COc1ccc(C=O)cc1OCC(=O)N[*:1]
CCC(=O)[C@@H]1CCCN(C(=O)c2cc(OC)ccc2OC2CCN(C(C)=O)CC2)C1 CC(=O)N1CCC(CC1)O[*:1] CCC(=O)[C@@H]1CCCN(C1)C(=O)c1cc(ccc1[*:1])OC
CCC(=O)[C@@H]1CCCN(C(=O)c2cc(OC)ccc2OC2CCN(C(C)=O)CC2)C1 CCC(=O)[*:1] COc1ccc(OC2CCN(CC2)C(C)=O)c(c1)C(=O)N1CCC[C@H](C1)[*:1]
CCC(=O)[C@@H]1CCCN(C(=O)c2cc(OC)ccc2OC2CCN(C(C)=O)CC2)C1 CC(=O)N1CCC(CC1)[*:1] CCC(=O)[C@@H]1CCCN(C1)C(=O)c1cc(ccc1O[*:1])OC
COC(=O)c1ccc(F)c(NC(=O)c2cc(C)[nH]c2C)c1 COC(=O)[*:1] Cc1cc(C(=O)Nc2cc(ccc2F)[*:1])c(C)[nH]1
COC(=O)c1ccc(F)c(NC(=O)c2cc(C)[nH]c2C)c1 Cc1cc(c(C)[nH]1)[*:1] COC(=O)c1ccc(F)c(c1)NC(=O)[*:1]
O=C(NCc1cccs1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=C(NCc1cccs1)C(=O)Nc1ccc(cc1)C[*:1]
O=C(NCc1cccs1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 c1csc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)CCN1CCOCC1
O=C(NCc1cccs1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 c1csc(c1)C[*:1] O=C(Nc1ccc(cc1)CCN1CCOCC1)C(=O)N[*:1]
O=C(NCc1cccs1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(NCc1cccs1)C(=O)Nc1ccc(cc1)CC[*:1]
O=C(NCc1cccs1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)CC[*:1] O=C(NCc1cccs1)C(=O)Nc1ccc(cc1)[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccccn1 c1ccc(nc1)[*:1] CCC[C@H]1[C@@H](C)CCCN1C(=O)[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccccn1 CCC[*:1] C[C@H]1CCCN(C(=O)c2ccccn2)[C@H]1[*:1]
COc1cccc2c1OC[C@H](Cc1cc(NC3CC3)nc(N)[nH+]1)C2 C1CC1N[*:1] COc1cccc2C[C@H](COc21)Cc1cc(nc(N)[nH+]1)[*:1]
COc1cccc2c1OC[C@H](Cc1cc(NC3CC3)nc(N)[nH+]1)C2 C1CC1[*:1] COc1cccc2C[C@H](COc21)Cc1cc(nc(N)[nH+]1)N[*:1]
Cc1cccc(C(=O)NC[C@H](C)N(C)c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(C(=O)NC[C@H](C)N(C)[*:1])c1C
CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc2c(s1)CCCC2 Fc1ccc(cc1)[*:1] CC[C@H](O[*:1])C(=O)Nc1nc2CCCCc2s1
CCn1nc(C)cc1NC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O CCn1nc(C)cc1[*:1] C[C@]1(Oc2ccc(Cl)cc2NC1=O)C(=O)N[*:1]
Cc1ccc(-c2csc(NC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)n2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(-c2csc(n2)NC(=O)C2C[C@H](C(N)=O)N(N=2)[*:1])c(C)c1
Cc1ccc(-c2csc(NC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)n2)c(C)c1 NC(=O)[*:1] Cc1ccc(-c2csc(n2)NC(=O)C2C[C@H](N(N=2)c2ccc(F)cc2)[*:1])c(C)c1
Cc1ccc(-c2csc(NC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] NC(=O)[C@H]1CC(=NN1c1ccc(F)cc1)C(=O)Nc1nc(cs1)[*:1]
Cc1sc(/N=C/c2cc(Br)ccc2O)c(C(N)=O)c1C NC(=O)[*:1] Cc1sc(/N=C/c2cc(Br)ccc2O)c(c1C)[*:1]
CC(C)[NH+](CCNS(=O)(=O)c1ccccc1F)C1CC1 CC(C)[*:1] O=S(=O)(NCC[NH+](C1CC1)[*:1])c1ccccc1F
CC(C)[NH+](CCNS(=O)(=O)c1ccccc1F)C1CC1 C1CC1[*:1] CC(C)[NH+](CCNS(=O)(=O)c1ccccc1F)[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(C)sc1SC CCOC(=O)[*:1] CSc1sc(C)cc1[C@@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(C)sc1SC CSc1sc(C)cc1[*:1] CCOC(=O)C1=C(C)NC2CCCC(=O)C=2[C@@H]1[*:1]
O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCC[C@@H]2CCCC[C@@H]21 FC(F)(F)[*:1] O=C(Cn1cccc(c1=O)[*:1])N1CCC[C@@H]2CCCC[C@@H]21
S=C1[NH+]=N[C@@H](c2ccc(Cl)cc2Cl)N1/N=C/c1cccs1 c1csc(c1)[*:1] S=C1[NH+]=N[C@@H](c2ccc(Cl)cc2Cl)N1N=C[*:1]
CC1(C[NH2+][C@@H]2CCc3cc(N)ccc32)COC1 CC1(COC1)[*:1] Nc1ccc2c(c1)CC[C@H]2[NH2+]C[*:1]
CC(C)([NH2+]CCCc1ccccc1)C(=O)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] CC(C)([NH2+]CCCc1ccccc1)C(=O)N[*:1]
CC(C)([NH2+]CCCc1ccccc1)C(=O)NC1CCC(O)CC1 c1ccc(cc1)C[*:1] CC(C)([NH2+]CC[*:1])C(=O)NC1CCC(O)CC1
CC(C)([NH2+]CCCc1ccccc1)C(=O)NC1CCC(O)CC1 c1ccc(cc1)[*:1] CC(C)([NH2+]CCC[*:1])C(=O)NC1CCC(O)CC1
OCCN(Cc1cccnc1)c1cnc2ccccc2n1 OCC[*:1] c1cncc(c1)CN(c1cnc2ccccc2n1)[*:1]
OCCN(Cc1cccnc1)c1cnc2ccccc2n1 c1cncc(c1)[*:1] OCCN(C[*:1])c1cnc2ccccc2n1
OCCN(Cc1cccnc1)c1cnc2ccccc2n1 c1cncc(c1)C[*:1] OCCN(c1cnc2ccccc2n1)[*:1]
[NH3+]C[C@H]1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1 c1cnn(c1)[*:1] [NH3+]C[C@H]1CN(CCO1)C(=O)c1cccc(c1)[*:1]
COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] COc1ccc(cc1[N+](=O)[O-])NC(=O)C[*:1]
COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])NC(=O)Cc1ccc(Cl)cc1
CC[NH+](CC)CC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CC)CC(=O)Nc1ccc(Br)cc1C(=O)[*:1]
CC[NH+](CC)CC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] CC[NH+](CC)CC(=O)Nc1ccc(Br)cc1[*:1]
Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@H]2CCOC2)cc1 Cc1ccccc1[*:1] C[C@H]([NH2+][C@H]1CCOC1)c1ccc(cc1)OC[*:1]
C[NH+](CCNC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C1CC1 C1CC1[*:1] C[NH+](CCNC(=O)Nc1ccc2C(=O)NC(=O)c2c1)[*:1]
Cc1nc([C@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CCO2)no1 Cc1nc(no1)[*:1] O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCO[C@H](C1)[*:1]
Cc1nc([C@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CCO2)no1 Fc1ccc(cc1)[*:1] Cc1nc(no1)[C@H]1CN(CCO1)C(=O)[C@@H]1C[C@H]1[*:1]
C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[*:1]
N#Cc1ccsc1NC(=O)/C=C/c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] N#Cc1ccsc1NC(=O)/C=C/c1ccc(s1)[*:1]
CC(C)c1cnc2c(c1SCC(=O)c1ccccc1)c(=O)n(C)c(=O)n2C O=C(c1ccccc1)[*:1] CC(C)c1cnc2c(c1SC[*:1])c(=O)n(C)c(=O)n2C
CC(C)c1cnc2c(c1SCC(=O)c1ccccc1)c(=O)n(C)c(=O)n2C O=C(C[*:1])c1ccccc1 CC(C)c1cnc2c(c1S[*:1])c(=O)n(C)c(=O)n2C
CC(C)c1cnc2c(c1SCC(=O)c1ccccc1)c(=O)n(C)c(=O)n2C CC(C)[*:1] Cn1c(=O)c2c(SCC(=O)c3ccccc3)c(cnc2n(C)c1=O)[*:1]
CC(C)c1cnc2c(c1SCC(=O)c1ccccc1)c(=O)n(C)c(=O)n2C c1ccc(cc1)[*:1] CC(C)c1cnc2c(c1SCC(=O)[*:1])c(=O)n(C)c(=O)n2C
CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4c(C)cccc4C)C3)c2)no1 Cc1cccc(C)c1[*:1] CCc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4c(C)cccc4C)C3)c2)no1 CCc1nc(no1)[*:1] Cc1cccc(C)c1NC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1cc(cs1)[*:1]
Cn1ncnc1NC(=O)NCC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] Cn1ncnc1NC(=O)NCC(C)(C)[*:1]
Cn1ncnc1NC(=O)NCC(C)(C)c1ccccc1 Cn1ncnc1[*:1] CC(C)(CNC(=O)N[*:1])c1ccccc1
CCC[NH2+]CCc1nnc(C[C@@H]2CCCCO2)o1 C1CC[C@H](OC1)[*:1] CCC[NH2+]CCc1nnc(C[*:1])o1
CCC[NH2+]CCc1nnc(C[C@@H]2CCCCO2)o1 CCC[*:1] C1CC[C@@H](Cc2nnc(CC[NH2+][*:1])o2)OC1
CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1csc2ccccc12 CC(C)[*:1] CN(C(=O)[C@H]1CSCN1C(=O)c1csc2ccccc12)[*:1]
CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1csc2ccccc12 CC(C)N(C)C(=O)[*:1] O=C(c1csc2ccccc12)N1CSC[C@@H]1[*:1]
Cc1ccc(C)c(OCCC(=O)Nc2cc(C)nn2Cc2ccccn2)c1 Cc1ccc(C)c(c1)O[*:1] Cc1cc(NC(=O)CC[*:1])n(Cc2ccccn2)n1
Cc1ccc(C)c(OCCC(=O)Nc2cc(C)nn2Cc2ccccn2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cc(NC(=O)CCO[*:1])n(Cc2ccccn2)n1
Cc1ccc(C)c(OCCC(=O)Nc2cc(C)nn2Cc2ccccn2)c1 c1ccc(nc1)[*:1] Cc1ccc(C)c(c1)OCCC(=O)Nc1cc(C)nn1C[*:1]
Cc1ccc(C)c(OCCC(=O)Nc2cc(C)nn2Cc2ccccn2)c1 c1ccc(C[*:1])nc1 Cc1ccc(C)c(c1)OCCC(=O)Nc1cc(C)nn1[*:1]
Cc1ccc(N2CCN(C(=O)c3ccc(Cn4cccn4)o3)CC2=O)cc1 c1cnn(c1)C[*:1] Cc1ccc(cc1)N1CCN(CC1=O)C(=O)c1ccc(o1)[*:1]
Cc1ccc(N2CCN(C(=O)c3ccc(Cn4cccn4)o3)CC2=O)cc1 c1cnn(c1)[*:1] Cc1ccc(cc1)N1CCN(CC1=O)C(=O)c1ccc(C[*:1])o1
Cc1ccc(N2CCN(C(=O)c3ccc(Cn4cccn4)o3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc(Cn2cccn2)o1)N1CCN(C(=O)C1)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)NCCC(=O)N3CCCC3)CC2)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)NCC[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)NCCC(=O)N3CCCC3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CCNC(=O)N1CCN(CC1)C(=O)[*:1])N1CCCC1
Cc1ccc(C(=O)N2CCN(C(=O)NCCC(=O)N3CCCC3)CC2)cc1 O=C(C[*:1])N1CCCC1 Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)NC[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)NCCC(=O)N3CCCC3)CC2)cc1 O=C(CC[*:1])N1CCCC1 Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N[*:1]
CC[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H]1CCCCN1C(=O)Cc1ccc(cc1[*:1])[N+](=O)[O-]
CC[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H]1CCCCN1C(=O)Cc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1ccccc1OCC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 Cc1ccccc1O[*:1] CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C[*:1]
Cc1ccccc1OCC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1ccccc1OCC(=O)N1CCCN(CC1)C(=O)O[*:1]
Cc1ccccc1OCC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 Cc1ccccc1[*:1] CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)CO[*:1]
N#CCN(C(=O)C1=Cc2cc(Cl)ccc2OC1)C1CCCC1 C1CCC(C1)[*:1] N#CCN(C(=O)C1=Cc2cc(Cl)ccc2OC1)[*:1]
N#CCN(C(=O)C1=Cc2cc(Cl)ccc2OC1)C1CCCC1 N#CC[*:1] O=C(C1=Cc2cc(Cl)ccc2OC1)N(C1CCCC1)[*:1]
CC(C)n1ncc([C@H](C#N)c2nc3ccccc3s2)c(Cl)c1=O CC(C)[*:1] N#C[C@H](c1nc2ccccc2s1)c1cnn(c(=O)c1Cl)[*:1]
CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3cc(C)no3)cc2n1 Cc1cc(on1)[*:1] CCc1cc(O)n2nc(cc2n1)[C@@H]1CCCN1C(=O)[*:1]
CCN(CCO)C(=O)Nc1nc(C)cs1 OCC[*:1] CCN(C(=O)Nc1nc(C)cs1)[*:1]
CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 CN(C)c1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2[*:1]
CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 CN(C)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc(cc1)[*:1]
C[C@@H]([NH2+]CC(C)(C)C)c1nc2ccc(Cl)cc2n1C CC(C)(C)C[*:1] C[C@@H]([NH2+][*:1])c1nc2ccc(Cl)cc2n1C
C[C@@H]([NH2+]CC(C)(C)C)c1nc2ccc(Cl)cc2n1C CC(C)(C)[*:1] C[C@@H]([NH2+]C[*:1])c1nc2ccc(Cl)cc2n1C
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NC12CC3CC(CC(C3)C1)C2 O=S(=O)(N1CCCC1)[*:1] O=C(Cc1ccc(s1)[*:1])NC12CC3CC(CC(C3)C1)C2
C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 O=[N+]([O-])[*:1] C[C@H](Nc1ccc(c2cnccc12)[*:1])c1ccccc1
C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ccc(c2cnccc12)[N+](=O)[O-])[*:1]
Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c1 Cc1cccc(c1)C[*:1] C[C@H]1CSc2ccc(cc2NC1=O)S(=O)(=O)N[*:1]
Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c1 Cc1cccc(c1)[*:1] C[C@H]1CSc2ccc(cc2NC1=O)S(=O)(=O)NC[*:1]
N/C(=N/O)c1ccc(C(F)(F)F)nc1OCc1ccco1 FC(F)(F)[*:1] N/C(=N/O)c1ccc(nc1OCc1ccco1)[*:1]
N/C(=N/O)c1ccc(C(F)(F)F)nc1OCc1ccco1 c1coc(c1)C[*:1] N/C(=N/O)c1ccc(nc1O[*:1])C(F)(F)F
N/C(=N/O)c1ccc(C(F)(F)F)nc1OCc1ccco1 c1coc(c1)[*:1] N/C(=N/O)c1ccc(nc1OC[*:1])C(F)(F)F
N/C(=N/O)c1ccc(C(F)(F)F)nc1OCc1ccco1 c1coc(c1)CO[*:1] N/C(=N/O)c1ccc(nc1[*:1])C(F)(F)F
N/C(=N/O)c1ccc(C(F)(F)F)nc1OCc1ccco1 N/C(=N/O)[*:1] FC(F)(F)c1ccc(c(n1)OCc1ccco1)[*:1]
Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1ccc(F)cc1F Fc1ccc(C[*:1])c(F)c1 Nc1c(nsc1C(=O)N[*:1])C(=O)NCc1ccccc1
Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1ccc(F)cc1F c1ccc(cc1)[*:1] Nc1c(nsc1C(=O)NCc1ccc(F)cc1F)C(=O)NC[*:1]
Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Nc1c(nsc1C(=O)NC[*:1])C(=O)NCc1ccccc1
Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1ccc(F)cc1F c1ccc(cc1)C[*:1] Nc1c(nsc1C(=O)NCc1ccc(F)cc1F)C(=O)N[*:1]
COC(=O)c1ccccc1C(=O)N(C[C@H]1CCCO1)c1nc2c(C)cc(Cl)cc2s1 COC(=O)c1ccccc1[*:1] Cc1cc(Cl)cc2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
COC(=O)c1ccccc1C(=O)N(C[C@H]1CCCO1)c1nc2c(C)cc(Cl)cc2s1 COC(=O)[*:1] Cc1cc(Cl)cc2sc(nc12)N(C[C@H]1CCCO1)C(=O)c1ccccc1[*:1]
COC(C)(C)c1noc(/C=C/c2ccc3c(c2)OCO3)n1 COC(C)(C)[*:1] C(=C/c1nc(no1)[*:1])\c1ccc2OCOc2c1
CCCNc1cc(Cc2[nH+]ccn2CC)ncn1 CCC[*:1] CCn1cc[nH+]c1Cc1cc(ncn1)N[*:1]
CCCNc1cc(Cc2[nH+]ccn2CC)ncn1 CCCN[*:1] CCn1cc[nH+]c1Cc1cc(ncn1)[*:1]
CC(C)(NC(=O)c1ccc(C(N)=O)cn1)c1c(Cl)cccc1Cl NC(=O)[*:1] CC(C)(NC(=O)c1ccc(cn1)[*:1])c1c(Cl)cccc1Cl
N#Cc1cccnc1N1CCC(CNC(=O)c2cccnc2)CC1 N#Cc1cccnc1[*:1] O=C(NCC1CCN(CC1)[*:1])c1cccnc1
N#Cc1cccnc1N1CCC(CNC(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] N#Cc1cccnc1N1CCC(CC1)CNC(=O)[*:1]
O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(c1ccccc1)N1CCN(CC1)c1ccccc1NC(=S)NC(=O)[*:1]
O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(NC(=S)Nc1ccccc1N1CCN(CC1)C(=O)[*:1])c1ccc2OCOc2c1
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@H]2ON(c3cccc(c3)[N+](=O)[O-])[C@@H](c3ccncc3)[C@@H]2C(=O)N1[*:1]
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2ON(c3cccc(c3)[N+](=O)[O-])[C@@H](c3ccncc3)[C@@H]2C(=O)N1C[*:1]
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C1[C@H]2ON([C@@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1)[*:1]
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1 O=[N+]([O-])[*:1] O=C1[C@H]2ON(c3cccc(c3)[*:1])[C@@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1 c1cc(ccn1)[*:1] O=C1[C@H]2ON(c3cccc(c3)[N+](=O)[O-])[C@@H]([C@@H]2C(=O)N1Cc1ccccc1)[*:1]
Cc1ccnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1 Cc1ccnc(c1)[*:1] O=C(N[*:1])c1ccc(o1)-c1ccccc1Cl
Cc1ccnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1 Clc1ccccc1[*:1] Cc1ccnc(c1)NC(=O)c1ccc(o1)[*:1]
Cc1cccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)c1C NS(=O)(=O)[*:1] Cc1cccc(C(=O)N[C@H](C)c2cccc(c2)[*:1])c1C
CCOCCNc1ncnc2c1CCCC2 CCOCC[*:1] c1nc2CCCCc2c(n1)N[*:1]
CCOCCNc1ncnc2c1CCCC2 CCOC[*:1] c1nc2CCCCc2c(n1)NC[*:1]
CCOCCNc1ncnc2c1CCCC2 CCO[*:1] c1nc2CCCCc2c(n1)NCC[*:1]
COC(=O)c1ccc(NC[C@]2(C)CCCO2)c(F)c1F COC(=O)[*:1] C[C@]1(CCCO1)CNc1ccc(c(F)c1F)[*:1]
CCc1cccc2c(C3=CCN(C(=O)Nc4ccccc4OC)CC3)c[nH]c12 COc1ccccc1[*:1] CCc1cccc2c(c[nH]c12)C1=CCN(CC1)C(=O)N[*:1]
O=C(c1ncccc1F)N1C[C@@H](C[NH+]2CCCCC2)[C@@H](CO)C1 Fc1cccnc1[*:1] O=C(N1C[C@@H](C[NH+]2CCCCC2)[C@@H](CO)C1)[*:1]
Cc1cc(F)ccc1CCNc1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(F)ccc1CCNc1ccc(Cl)cc1[*:1]
COc1ccc(C#N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(C#N)c(c1)[*:1]
CCOC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)Nc1ncnc2c1cnn2[*:1]
CCOC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 CCOC(=O)[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)Nc1ccc(cc1)[*:1]
CCC(CC)Oc1c(Cl)cc(CO)cc1OC CCC(CC)[*:1] COc1cc(cc(Cl)c1O[*:1])CO
C1C[NH2+][C@H]([C@H]2CCC[C@@H]2[NH2+]CC[NH+]2CCCC2)C1 C1C[NH2+][C@H](C1)[*:1] C1C[C@H]([NH2+]CC[NH+]2CCCC2)[C@H](C1)[*:1]
CCS(=O)(=O)N1CCC(NC(=O)C[C@@H](C)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)C[C@@H](C)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N2CCC(C)CC2)c1 CC(=O)N(C)[*:1] CC1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
O=C(OCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(OCC[NH+]1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)[*:1]
O=C(OCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(OCC[NH+]1CCN(CC1)c1ncc(cc1Cl)[*:1])c1ccc(F)cc1
Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)cc1 Cn1ccnc1[*:1] O=C(Nc1ccc(cc1)C(=O)[*:1])[C@H]1C[C@@H]1c1ccccc1F
Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)cc1 Cn1ccnc1C(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1C[C@@H]1c1ccccc1F
Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)cc1 Fc1ccccc1[*:1] Cn1ccnc1C(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@H]1[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 CN(C)S(=O)(=O)[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)[*:1]
O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CCOCC1 c1coc(c1)[*:1] O=C(c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1])N1CCOCC1
O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CCOCC1 O=C(N1CCOCC1)[*:1] FC(F)(F)[C@H]1C[C@@H](Nc2cc(nn21)[*:1])c1ccco1
O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CCOCC1 FC(F)(F)[*:1] O=C(c1cc2N[C@H](C[C@H](n2n1)[*:1])c1ccco1)N1CCOCC1
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2c1C[C@@H](CC(C)(C)C)CC2 c1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=N/NC(=O)c1n[nH]c2CC[C@@H](Cc12)CC(C)(C)C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2c1C[C@@H](CC(C)(C)C)CC2 CC(C)(C)[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2CC[C@@H](Cc12)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2c1C[C@@H](CC(C)(C)C)CC2 CC(C)(C)C[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2CC[C@H](Cc12)[*:1]
N#C/C(C(=O)NC1CCCCC1)=C(/[O-])c1ccc(Cl)c(Cl)c1 C1CCC(CC1)[*:1] N#C/C(C(=O)N[*:1])=C(/[O-])c1ccc(Cl)c(Cl)c1
CCC(=O)N1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 C1CO[C@@H](C1)[*:1] CCC(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
COc1ccc(C2=C[C@H](N/C(=N/c3ccccc3C)SC)N=N2)cc1OC Cc1ccccc1[*:1] COc1ccc(cc1OC)C1=C[C@@H](N=N1)NC(=N[*:1])SC
COCCc1ccc(OC(=O)[C@H]2CCC[C@@H](C)C2)cc1 COC[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)Oc1ccc(cc1)C[*:1]
COCCc1ccc(OC(=O)[C@H]2CCC[C@@H](C)C2)cc1 COCC[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)Oc1ccc(cc1)[*:1]
CC[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](Nc1ccc(cn1)[N+](=O)[O-])[*:1]
CC[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccncc1 O=[N+]([O-])[*:1] CC[C@H](Nc1ccc(cn1)[*:1])c1ccncc1
CCN(CC)C(=O)CN1CCN(C(=O)NCc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)CN1CCN(CC1)C(=O)NC[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)NCc2ccc(C)cc2)CC1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)CNC(=O)N1CCN(CC1)C[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)NCc2ccc(C)cc2)CC1 CCN(CC)C(=O)C[*:1] Cc1ccc(cc1)CNC(=O)N1CCN(CC1)[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)NCc2ccc(C)cc2)CC1 Cc1ccc(cc1)C[*:1] CCN(CC)C(=O)CN1CCN(CC1)C(=O)N[*:1]
CCOc1ccc(OC)cc1NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCOc1ccc(cc1NC(=O)[C@@H](C)n1nnc(n1)[*:1])OC
CCOc1ccc(OC)cc1NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 CCO[*:1] COc1ccc(c(c1)NC(=O)[C@@H](C)n1nnc(n1)-c1ccccc1)[*:1]
Cc1nc(C[NH2+]C[C@H](C)CCl)sc1C C[C@H](CCl)[*:1] Cc1nc(C[NH2+]C[*:1])sc1C
C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 C[C@H]1CCCCN1C(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCCc2ccccc21
COC(=O)CCC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 COC(=O)C[*:1] O=C(C[*:1])N(C[C@@H]1CCCO1)c1nc2ccccc2s1
COC(=O)CCC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 C1CO[C@@H](C1)C[*:1] COC(=O)CCC(=O)N(c1nc2ccccc2s1)[*:1]
COC(=O)CCC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 COC(=O)CC[*:1] O=C(N(C[C@@H]1CCCO1)c1nc2ccccc2s1)[*:1]
COC(=O)CCC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 COC(=O)[*:1] O=C(CC[*:1])N(C[C@@H]1CCCO1)c1nc2ccccc2s1
O=C1CC[C@@H](C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)O1 FC(F)(F)[*:1] O=C1CC[C@H](O1)C(=O)N(Cc1ccccc1[*:1])C1CC1
O=C1CC[C@@H](C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)O1 C1CC1[*:1] O=C1CC[C@H](O1)C(=O)N(Cc1ccccc1C(F)(F)F)[*:1]
COCc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)no1 COCc1cc(no1)[*:1] Cc1ccc(cc1)Oc1ccc(cn1)NC(=O)[*:1]
COCc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)no1 Cc1ccc(cc1)[*:1] COCc1cc(no1)C(=O)Nc1ccc(nc1)O[*:1]
COCc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)no1 Cc1ccc(cc1)O[*:1] COCc1cc(no1)C(=O)Nc1ccc(nc1)[*:1]
COCc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)no1 COC[*:1] Cc1ccc(cc1)Oc1ccc(cn1)NC(=O)c1cc(on1)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 CCOC(=O)[*:1] C[C@H](NC(=O)Nc1ccc(C=C[*:1])cc1)[C@H]1CCCO1
CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CCOC(=O)/C=C/c1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 CCOC(=O)C=C[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])[C@H]1CCCO1
CC[C@H](NC(=O)c1ccc(C)cc1F)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1ccc(C)cc1F)[*:1]
Cc1ccc(-c2ccc([C@@H]3C(C#N)=C(N)Oc4[nH]c(=S)[nH]c(=O)c43)o2)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccc(o1)[*:1]
Cc1nc(CNC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cs1 Cc1nc(cs1)C[*:1] O=C(Cn1nc(oc1=O)-c1ccc(F)cc1)N[*:1]
Cc1nc(CNC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)CNC(=O)Cn1nc(oc1=O)[*:1]
Cc1nc(CNC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cs1 Cc1nc(cs1)[*:1] O=C(Cn1nc(oc1=O)-c1ccc(F)cc1)NC[*:1]
Cn1cc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cn1 Fc1ccccc1C[*:1] Cn1cc(cn1)NC(=O)[C@@H]1CS[C@H](C(=O)N1)[*:1]
Cn1cc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cn1 Fc1ccccc1[*:1] Cn1cc(cn1)NC(=O)[C@@H]1CS[C@H](C[*:1])C(=O)N1
Cn1cc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1
C[NH+](C)CC[C@H](Nc1cc(C2CC2)ncn1)c1ccccc1 C1CC1[*:1] C[NH+](C)CC[C@H](Nc1cc(ncn1)[*:1])c1ccccc1
C[NH+](C)CC[C@H](Nc1cc(C2CC2)ncn1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)CC[C@H](Nc1cc(ncn1)C1CC1)[*:1]
O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC([C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1C(F)(F)F)-n1cncn1)N1CCC(CC1)[C@@H](O)[*:1]
O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC([C@@H](O)c2ccccc2)CC1 c1ncn(n1)[*:1] O=C(Nc1ccc(cc1C(F)(F)F)[*:1])N1CCC(CC1)[C@@H](O)c1ccccc1
O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC([C@@H](O)c2ccccc2)CC1 O[C@@H](c1ccccc1)[*:1] O=C(Nc1ccc(cc1C(F)(F)F)-n1cncn1)N1CCC(CC1)[*:1]
O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC([C@@H](O)c2ccccc2)CC1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1[*:1])-n1cncn1)N1CCC(CC1)[C@@H](O)c1ccccc1
CC1=C[C@@H](NC(=O)CS[C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)N=N1 c1coc(c1)C[*:1] CC1=C[C@H](N=N1)NC(=O)CS[C@@H]1Nc2ccccc2C(=O)N1[*:1]
CC1=C[C@@H](NC(=O)CS[C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)N=N1 c1coc(c1)[*:1] CC1=C[C@H](N=N1)NC(=O)CS[C@@H]1Nc2ccccc2C(=O)N1C[*:1]
CC(C)C[C@]1(C)NC(=O)N(CC(=O)N(C)Cc2ccccc2F)C1=O CC(C)C[*:1] CN(Cc1ccccc1F)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CC(C)C[C@]1(C)NC(=O)N(CC(=O)N(C)Cc2ccccc2F)C1=O Fc1ccccc1[*:1] CC(C)C[C@]1(C)NC(=O)N(CC(=O)N(C)C[*:1])C1=O
CC(C)C[C@]1(C)NC(=O)N(CC(=O)N(C)Cc2ccccc2F)C1=O Fc1ccccc1C[*:1] CC(C)C[C@]1(C)NC(=O)N(CC(=O)N(C)[*:1])C1=O
CC(C)C[C@]1(C)NC(=O)N(CC(=O)N(C)Cc2ccccc2F)C1=O CC(C)[*:1] CN(Cc1ccccc1F)C(=O)CN1C(=O)N[C@@](C)(C[*:1])C1=O
Cc1noc(N)c1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C C1CC1[*:1] Cc1noc(N)c1C(=O)OCC(=O)c1cc(C)n(c1C)[*:1]
Cc1noc(N)c1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C Cc1noc(N)c1[*:1] Cc1cc(C(=O)COC(=O)[*:1])c(C)n1C1CC1
CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 Brc1cccc(c1)[*:1] CC(=O)N1CCN(CC1)C(=O)C(=O)N[*:1]
O=C(CN1C(=O)CCC1=O)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 O=C1CCC(=O)N1[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cc(Cl)cc(Cl)c1
O=C(CN1C(=O)CCC1=O)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 O=C1CCC(=O)N1C[*:1] O=C(N1CCN(CC1)Cc1cc(Cl)cc(Cl)c1)[*:1]
O=C(CN1C(=O)CCC1=O)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 Clc1cc(Cl)cc(c1)[*:1] O=C(CN1C(=O)CCC1=O)N1CCN(CC1)C[*:1]
Cc1ccc2cc(CN(C(=O)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 C1CCC(CC1)[*:1] Cc1ccc2cc(CN(C(=O)NCc3ccccc3)[*:1])c(=O)[nH]c2c1
Cc1ccc2cc(CN(C(=O)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 c1ccc(cc1)[*:1] Cc1ccc2cc(CN(C(=O)NC[*:1])C3CCCCC3)c(=O)[nH]c2c1
Cc1ccc2cc(CN(C(=O)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 c1ccc(cc1)C[*:1] Cc1ccc2cc(CN(C(=O)N[*:1])C3CCCCC3)c(=O)[nH]c2c1
Cc1ccc(N[C@@H](C)c2nc(C3CC3)no2)cc1NC(=O)C[NH+]1CCCCC1 C1CC1[*:1] Cc1ccc(cc1NC(=O)C[NH+]1CCCCC1)N[C@@H](C)c1nc(no1)[*:1]
Cc1ccc(N[C@@H](C)c2nc(C3CC3)no2)cc1NC(=O)C[NH+]1CCCCC1 C1CC1c1noc(n1)[*:1] Cc1ccc(cc1NC(=O)C[NH+]1CCCCC1)N[C@@H](C)[*:1]
Cc1cccc2c(=O)n(CC(=O)c3cc(C)n(CC(F)(F)F)c3C)cnc12 FC(F)(F)C[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)c1cc(C)n(c1C)[*:1]
Cc1cccc2c(=O)n(CC(=O)c3cc(C)n(CC(F)(F)F)c3C)cnc12 FC(F)(F)[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)c1cc(C)n(C[*:1])c1C
Cc1c(C(=O)NC2CCCCC2)oc2ccc(Br)cc12 C1CCC(CC1)[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)N[*:1]
CCS(=O)(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 CCS(=O)(=O)NC[*:1] C[NH+](C)Cc1ccc(cc1)-c1ccccc1[*:1]
CCS(=O)(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 CCS(=O)(=O)N[*:1] C[NH+](C)Cc1ccc(cc1)-c1ccccc1C[*:1]
CC(C)COc1ccccc1NC(=O)C[C@H](O)c1ccc(Cl)cc1 CC(C)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1ccccc1OC[*:1]
CC(C)COc1ccccc1NC(=O)C[C@H](O)c1ccc(Cl)cc1 CC(C)C[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1ccccc1O[*:1]
CC(C)COc1ccccc1NC(=O)C[C@H](O)c1ccc(Cl)cc1 CC(C)CO[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1ccccc1[*:1]
CC(C)COc1ccccc1NC(=O)C[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)COc1ccccc1NC(=O)C[C@H](O)[*:1]
C#CCN(C)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCOCC2)on1 C#CCN(C)C(=O)[*:1] c1c(C[C@H]2C[NH2+]CC[C@H]2C[*:1])noc1CN1CCOCC1
C#CCN(C)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCOCC2)on1 C#CCN(C)C(=O)C[*:1] c1c(C[C@H]2C[NH2+]CC[C@H]2[*:1])noc1CN1CCOCC1
C#CCN(C)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCOCC2)on1 C#CC[*:1] CN(C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCOCC2)on1)[*:1]
C#CCN(C)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCOCC2)on1 C1CN(CCO1)[*:1] C#CCN(C)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C[*:1])on1
C#CCN(C)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCOCC2)on1 C1CN(CCO1)C[*:1] C#CCN(C)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(on1)[*:1]
COc1ccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc4c(c3)OCCO4)nc2c1 c1cc2OCCOc2cc1[*:1] COc1ccc2sc(nc2c1)N(C[C@H]1CCCO1)C(=O)[*:1]
N#Cc1ccc(Oc2cccc(NC(=O)[C@@H](O)c3ccccc3)c2)nc1 O[C@@H](c1ccccc1)[*:1] N#Cc1ccc(nc1)Oc1cccc(c1)NC(=O)[*:1]
N#Cc1ccc(Oc2cccc(NC(=O)[C@@H](O)c3ccccc3)c2)nc1 N#Cc1ccc(nc1)[*:1] O=C(Nc1cccc(c1)O[*:1])[C@@H](O)c1ccccc1
N#Cc1ccc(Oc2cccc(NC(=O)[C@@H](O)c3ccccc3)c2)nc1 c1ccc(cc1)[*:1] N#Cc1ccc(nc1)Oc1cccc(c1)NC(=O)[C@@H](O)[*:1]
C[C@@H](O)[C@@H](NC(=O)c1csc(-c2ccsc2)n1)C(=O)[O-] c1cc(cs1)[*:1] C[C@@H](O)[C@@H](NC(=O)c1csc(n1)[*:1])C(=O)[O-]
C[C@@H](O)[C@@H](NC(=O)c1csc(-c2ccsc2)n1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](O)[C@@H](NC(=O)c1csc(n1)-c1ccsc1)[*:1]
C[C@@H](O)[C@@H](NC(=O)c1csc(-c2ccsc2)n1)C(=O)[O-] C[C@@H](O)[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])c1csc(n1)-c1ccsc1
C[C@@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@H]1O)OCO3 Oc1ccccc1[*:1] C[C@@H]1[C@@H](c2cc3OCOc3cc2O[C@H]1O)[*:1]
COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3 COC(=O)[*:1] CN1CCc2c(C1)sc1nc(SC[*:1])n(-c3ccccc3)c(=O)c21
COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3 c1ccc(cc1)[*:1] COC(=O)CSc1nc2sc3CN(C)CCc3c2c(=O)n1[*:1]
COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3 COC(=O)C[*:1] CN1CCc2c(C1)sc1nc(S[*:1])n(-c3ccccc3)c(=O)c21
COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3 COC(=O)CS[*:1] CN1CCc2c(C1)sc1nc(n(-c3ccccc3)c(=O)c21)[*:1]
CC[C@@H]1CC[C@@H]([NH+]2CCN(Cc3[nH+]ccn3C)CC2)C1 Cn1cc[nH+]c1[*:1] CC[C@@H]1CC[C@H](C1)[NH+]1CCN(CC1)C[*:1]
COc1ccc(-c2csc(CN3CCN(C(=O)Cc4cccc(OC)c4)CC3)n2)cc1 COc1cccc(c1)C[*:1] COc1ccc(cc1)-c1csc(CN2CCN(CC2)C(=O)[*:1])n1
COc1ccc(-c2csc(CN3CCN(C(=O)Cc4cccc(OC)c4)CC3)n2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)-c1csc(CN2CCN(CC2)C(=O)C[*:1])n1
COc1ccc(-c2csc(CN3CCN(C(=O)Cc4cccc(OC)c4)CC3)n2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)Cc1nc(cs1)[*:1]
Cc1cc(C)cc(NC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)c1cc2C(=O)CCCc2n(c1=O)[*:1]
Cc1cc(C)cc(NC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)c1 Cc1cc(C)cc(c1)[*:1] O=C1CCCc2c1cc(C(=O)N[*:1])c(=O)n2-c1ccc(F)cc1
C[C@@H](C#N)C1(O)CCC(=O)CC1 C[C@@H](C#N)[*:1] O=C1CCC(O)(CC1)[*:1]
CCOc1cc(CNC(=O)Nc2nncs2)ccn1 CCO[*:1] O=C(NCc1ccnc(c1)[*:1])Nc1nncs1
CCOc1cc(CNC(=O)Nc2nncs2)ccn1 c1nnc(s1)[*:1] CCOc1cc(ccn1)CNC(=O)N[*:1]
COc1ccc2c(CCNc3nc(=O)c(-c4ccc(C)cc4)n[nH]3)c[nH]c2c1 Cc1ccc(cc1)[*:1] COc1ccc2c(c[nH]c2c1)CCNc1nc(=O)c(n[nH]1)[*:1]
C[C@H](O)CN(C)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 C[C@H](O)C[*:1] CN(C(=O)NCC1(CCC1)c1ccc(Cl)cc1)[*:1]
C[C@H](O)CN(C)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 C[C@H](O)[*:1] CN(C[*:1])C(=O)NCC1(CCC1)c1ccc(Cl)cc1
C[C@H](O)CN(C)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 Clc1ccc(cc1)[*:1] C[C@H](O)CN(C)C(=O)NCC1(CCC1)[*:1]
CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 c1ccc2sc(nc2c1)[*:1] CN(C[*:1])C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1
CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)c(c1)[*:1]
COC(=O)C[C@@H](C)NC(=O)Nc1ccc(SC)c(Cl)c1 COC(=O)[*:1] CSc1ccc(cc1Cl)NC(=O)N[C@H](C)C[*:1]
COC(=O)C[C@@H](C)NC(=O)Nc1ccc(SC)c(Cl)c1 COC(=O)C[*:1] CSc1ccc(cc1Cl)NC(=O)N[C@H](C)[*:1]
CC(C)CCn1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)nn1 CC(C)CC[*:1] O=C(c1cn(nn1)[*:1])N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F
CC(C)CCn1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)nn1 CC(C)[*:1] O=C(c1cn(CC[*:1])nn1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F
CC(C)CCn1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)nn1 Fc1ccc(F)c(c1)[*:1] CC(C)CCn1cc(nn1)C(=O)N1C[C@@H](O)C[C@@H]1[*:1]
CC(C)CCn1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)nn1 CC(C)C[*:1] O=C(c1cn(C[*:1])nn1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F
COc1cccc(C(C)=O)c1 CC(=O)[*:1] COc1cccc(c1)[*:1]
Cc1nc(SCC(=O)c2ccc(OC(C)C)cc2)oc1C Cc1nc(oc1C)[*:1] CC(C)Oc1ccc(cc1)C(=O)CS[*:1]
Cc1nc(SCC(=O)c2ccc(OC(C)C)cc2)oc1C CC(C)[*:1] Cc1nc(oc1C)SCC(=O)c1ccc(cc1)O[*:1]
Cc1nc(SCC(=O)c2ccc(OC(C)C)cc2)oc1C CC(C)O[*:1] Cc1nc(oc1C)SCC(=O)c1ccc(cc1)[*:1]
CC(C)n1cnnc1S[C@@H](C)c1ccc(Cl)c(Cl)c1 CC(C)[*:1] C[C@H](Sc1nncn1[*:1])c1ccc(Cl)c(Cl)c1
COc1cccc(-c2noc(CCCC(=O)Nc3ccc(F)cc3)n2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)-c1noc(CCCC(=O)N[*:1])n1
COc1cccc(-c2noc(CCCC(=O)Nc3ccc(F)cc3)n2)c1 COc1cccc(c1)[*:1] O=C(CCCc1nc(no1)[*:1])Nc1ccc(F)cc1
Cn1nc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1C(F)(F)F Clc1ccc(cc1)[*:1] Cn1nc(cc1C(F)(F)F)-c1ccc(s1)C(=O)N[*:1]
Cn1nc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1C(F)(F)F FC(F)(F)[*:1] Cn1nc(cc1[*:1])-c1ccc(s1)C(=O)Nc1ccc(Cl)cc1
Cc1cc(C)c2c(=O)cc(CS[C@H]3NN[C@@H](c4cccc(F)c4)N3C)[nH]c2c1 Fc1cccc(c1)[*:1] Cc1cc(C)c2c(=O)cc(CS[C@H]3NN[C@@H](N3C)[*:1])[nH]c2c1
COC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2 COC(=O)[*:1] O=S(=O)(NCc1ccc2OCOc2c1)c1c(sc2ccccc12)[*:1]
COC(=O)c1sc2ccccc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[*:1]
C[C@H](NC(=O)NCC(C)(C)[NH+](C)C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)NCC(C)(C)[NH+](C)C)c1ccc(cc1)[*:1]
O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](C[*:1])c1ccccc1
O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)C[*:1] O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](c1ccccc1)[*:1]
O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](Cc1ccc(Cl)cc1)[*:1]
Cc1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)n1C NS(=O)(=O)[*:1] Cc1ccc(C(=O)NCc2cccc(c2)[*:1])n1C
Cc1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)n1C Cc1ccc(n1C)[*:1] NS(=O)(=O)c1cccc(c1)CNC(=O)[*:1]
CCC(=O)N1CC[C@@H](C(=O)N(C[C@@H]2CCCCO2)C(C)C)C1 C1CC[C@H](OC1)[*:1] CCC(=O)N1CC[C@H](C1)C(=O)N(C[*:1])C(C)C
CCC(=O)N1CC[C@@H](C(=O)N(C[C@@H]2CCCCO2)C(C)C)C1 C1CC[C@@H](C[*:1])OC1 CCC(=O)N1CC[C@H](C1)C(=O)N(C(C)C)[*:1]
CCC(=O)N1CC[C@@H](C(=O)N(C[C@@H]2CCCCO2)C(C)C)C1 CC(C)[*:1] CCC(=O)N1CC[C@H](C1)C(=O)N(C[C@@H]1CCCCO1)[*:1]
C[C@H](NC(=O)CCC(F)(F)F)c1ccc(NC(N)=O)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)CC[*:1])c1ccc(cc1)NC(N)=O
C[C@H](NC(=O)CCC(F)(F)F)c1ccc(NC(N)=O)cc1 FC(F)(F)C[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)NC(N)=O
C[C@H](NC(=O)CCC(F)(F)F)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@H](NC(=O)CCC(F)(F)F)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CCC(F)(F)F)c1ccc(NC(N)=O)cc1 FC(F)(F)CC[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)NC(N)=O
Cc1cnc(NC(=O)Cn2nc(C)c3ccccc3c2=O)s1 Cc1cnc(s1)[*:1] Cc1nn(CC(=O)N[*:1])c(=O)c2ccccc12
C[C@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Nc3ccc4cn[nH]c4c3)c2)C1=O c1cc2cn[nH]c2cc1[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
O=C1C[C@@H](C(=O)N2CCOC[C@H]2C2CC2)CN1Cc1ccccc1 C1CC1[*:1] O=C1C[C@H](CN1Cc1ccccc1)C(=O)N1CCOC[C@@H]1[*:1]
O=C1C[C@@H](C(=O)N2CCOC[C@H]2C2CC2)CN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCOC[C@H]1C1CC1
O=C1C[C@@H](C(=O)N2CCOC[C@H]2C2CC2)CN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCOC[C@H]1C1CC1
CC[NH2+][C@]1(C(=O)OC)CCC[C@H](n2cc(Cl)c(C)n2)C1 COC(=O)[*:1] CC[NH2+][C@@]1(CCC[C@@H](C1)n1cc(Cl)c(C)n1)[*:1]
Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H](c3ccco3)C2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C(=O)CO[*:1]
Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H](c3ccco3)C2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C(=O)COc1ccc(cc1)[*:1]
Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H](c3ccco3)C2)cc1 O=[N+]([O-])c1ccc(cc1)O[*:1] Cc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C(=O)C[*:1]
Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)COc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H](c3ccco3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])N1N=C(C[C@H]1c1ccco1)[*:1]
C=CCc1ccccc1OC[C@H](S)CN1CC[NH+](C)CC1 C=CC[*:1] C[NH+]1CCN(CC1)C[C@@H](S)COc1ccccc1[*:1]
CCCOCCOc1ccc(C(C)(C)C)cc1N CCC[*:1] CC(C)(C)c1ccc(OCCO[*:1])c(N)c1
CCCOCCOc1ccc(C(C)(C)C)cc1N CCCOC[*:1] CC(C)(C)c1ccc(OC[*:1])c(N)c1
CCCOCCOc1ccc(C(C)(C)C)cc1N CCCO[*:1] CC(C)(C)c1ccc(OCC[*:1])c(N)c1
CCCOCCOc1ccc(C(C)(C)C)cc1N CCCOCC[*:1] CC(C)(C)c1ccc(O[*:1])c(N)c1
CCCOCCOc1ccc(C(C)(C)C)cc1N CC(C)(C)[*:1] CCCOCCOc1ccc(cc1N)[*:1]
CNC(=O)CC1CCN(C(=O)COc2cc(C)ccc2C)CC1 CNC(=O)C[*:1] Cc1ccc(C)c(c1)OCC(=O)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)COc2cc(C)ccc2C)CC1 CNC(=O)[*:1] Cc1ccc(C)c(c1)OCC(=O)N1CCC(CC1)C[*:1]
Cc1nn(Cc2nncn2-c2cccc(C(F)(F)F)c2)c(C)c1C Cc1nn(c(C)c1C)[*:1] FC(F)(F)c1cccc(c1)-n1cnnc1C[*:1]
Cc1nn(Cc2nncn2-c2cccc(C(F)(F)F)c2)c(C)c1C FC(F)(F)[*:1] Cc1nn(Cc2nncn2-c2cccc(c2)[*:1])c(C)c1C
COc1ccc(Cl)cc1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1CS(=O)(=O)[C@@H](C)C(=O)N[*:1]
O=C1COc2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2N1 c1ccc(cc1)[*:1] O=C1COc2ccc(cc2N1)NC(=O)C1(CCC1)[*:1]
COc1ccc(COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)cc1F Fc1ccc(cc1)[*:1] COc1ccc(cc1F)COc1ccc(cc1)N(C)S(=O)(=O)[*:1]
COc1ccc(COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)cc1F COc1ccc(cc1F)[*:1] CN(c1ccc(cc1)OC[*:1])S(=O)(=O)c1ccc(F)cc1
CCC1=NO[C@H](CNc2cc(C(C)C)[nH+]c(C)n2)C1 CC(C)[*:1] CCC1C[C@@H](CNc2cc([nH+]c(C)n2)[*:1])ON=1
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1C[C@H]1[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1F Fc1ccc(F)c(c1)[*:1] C[C@@H](N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1F)[*:1]
O=C(c1cccc(CCl)c1)N1CCN(c2[nH+]cccc2C(F)(F)F)CC1 ClCc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1[nH+]cccc1C(F)(F)F)[*:1]
O=C(c1cccc(CCl)c1)N1CCN(c2[nH+]cccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1cccc(c1)CCl)N1CCN(CC1)c1[nH+]cccc1[*:1]
CCCCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 CCC[*:1] CCN(C[*:1])C(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12
CCCCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 CCCCN(CC)C(=O)[*:1] O=C1c2ccccc2[C@@H]([C@H]2c3ccccc3CCN12)[*:1]
CCCCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 CCCC[*:1] CCN(C(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)[*:1]
C[C@@H](c1ccncc1)[C@H]([NH3+])C1CCCC1 C1CCC(C1)[*:1] C[C@@H](c1ccncc1)[C@H]([NH3+])[*:1]
C[C@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H](C)O1 N#Cc1ccsc1[*:1] C[C@H]1CN(C[C@H](C)O1)[C@@H]1CCN(C1=O)[*:1]
Cc1cccc(CNC(=O)c2cnc3sc(N4CCC(C)CC4)nn3c2=O)c1 CC1CCN(CC1)[*:1] Cc1cccc(c1)CNC(=O)c1cnc2sc(nn2c1=O)[*:1]
Cc1cccc(CNC(=O)c2cnc3sc(N4CCC(C)CC4)nn3c2=O)c1 Cc1cccc(c1)C[*:1] CC1CCN(CC1)c1nn2c(=O)c(cnc2s1)C(=O)N[*:1]
Cc1cccc(CNC(=O)c2cnc3sc(N4CCC(C)CC4)nn3c2=O)c1 Cc1cccc(c1)[*:1] CC1CCN(CC1)c1nn2c(=O)c(cnc2s1)C(=O)NC[*:1]
CCCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2[*:1]
CCCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)S[*:1]
CC(C)NC(=O)C[NH+](CCO)Cc1cc(Br)ccc1F CC(C)[*:1] O=C(C[NH+](CCO)Cc1cc(Br)ccc1F)N[*:1]
CC(C)NC(=O)C[NH+](CCO)Cc1cc(Br)ccc1F OCC[*:1] CC(C)NC(=O)C[NH+](Cc1cc(Br)ccc1F)[*:1]
CC(C)NC(=O)C[NH+](CCO)Cc1cc(Br)ccc1F CC(C)NC(=O)[*:1] OCC[NH+](Cc1cc(Br)ccc1F)C[*:1]
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(N(C)C)cc1 CN(C)[*:1] C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(cc1)[*:1]
COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C(C)C)c3ncnn32)cc1 COc1ccc(cc1)[*:1] CC(C)C(=O)N1c2ncnn2[C@@H](C[C@@H]1c1ccc(Cl)cc1)[*:1]
COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C(C)C)c3ncnn32)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C[C@H](N(C(=O)C(C)C)c2ncnn21)[*:1]
COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C(C)C)c3ncnn32)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)[*:1])c2ncnn21
O=[N+]([O-])c1ccccc1NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1NCc1cn(nn1)[*:1]
O=[N+]([O-])c1ccccc1NCc1cn(-c2ccccc2)nn1 O=[N+]([O-])[*:1] c1ccc(cc1)-n1cc(CNc2ccccc2[*:1])nn1
Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 N#Cc1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 Cc1ccc(o1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)[*:1]
COc1ccc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc1OC c1nnc2sc(nn12)[*:1] COc1ccc(cc1OC)C(=O)NCc1ccc(cc1)[*:1]
Cc1cc2ncc([C@@H](C)NC[C@H](c3ccccc3)C(C)(C)CO)c(C)n2n1 c1ccc(cc1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)NC[C@H](C(C)(C)CO)[*:1]
Cc1cc2ncc([C@@H](C)NC[C@H](c3ccccc3)C(C)(C)CO)c(C)n2n1 CC(C)(CO)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)NC[C@H](c1ccccc1)[*:1]
Cc1ccc(Oc2cc(C(=O)[O-])nc3ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C([O-])c1cc(O[*:1])c2ccccc2n1
Cc1ccc(Oc2cc(C(=O)[O-])nc3ccccc23)cc1 O=C([O-])[*:1] Cc1ccc(cc1)Oc1cc(nc2ccccc12)[*:1]
O=C(CCSc1nc2ccccc2s1)NCc1ccc(-n2cncn2)cc1 c1ccc2sc(nc2c1)[*:1] O=C(CCS[*:1])NCc1ccc(cc1)-n1cncn1
O=C(CCSc1nc2ccccc2s1)NCc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] O=C(CCSc1nc2ccccc2s1)NCc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1F c1coc(c1)[*:1] Cc1ccc(cc1F)NC(=O)N(C)[C@H](C)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)C1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N[C@@H]([C@@H]1CCCO1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CCCC(=O)Nc1sc2c(c1C#N)CCCCC2 CCC[*:1] N#Cc1c(NC(=O)[*:1])sc2CCCCCc21
CCCC(=O)Nc1sc2c(c1C#N)CCCCC2 CCCC(=O)N[*:1] N#Cc1c(sc2CCCCCc21)[*:1]
COC(=O)C1(N(C)Cc2c[nH]nc2-c2ccc(C)cc2)CCCC1 Cc1ccc(cc1)[*:1] COC(=O)C1(CCCC1)N(C)Cc1c[nH]nc1[*:1]
COC(=O)C1(N(C)Cc2c[nH]nc2-c2ccc(C)cc2)CCCC1 COC(=O)[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN(C)C1(CCCC1)[*:1]
COc1cc2cc(N)c(C3CCN(C(=O)c4ccn(C)n4)CC3)nc2cc1OC Cn1ccc(n1)[*:1] COc1cc2cc(N)c(nc2cc1OC)C1CCN(CC1)C(=O)[*:1]
C[C@H](OC(=O)[C@@H]1OCC[C@@H]1C)c1ccccc1N(C)C CN(C)[*:1] C[C@H](OC(=O)[C@@H]1OCC[C@@H]1C)c1ccccc1[*:1]
C[C@H]1C[C@@H](c2cccc(F)c2)N(CCc2cnn(C)c2)C1 Cn1cc(cn1)C[*:1] C[C@H]1C[C@@H](c2cccc(F)c2)N(C1)C[*:1]
C[C@H]1C[C@@H](c2cccc(F)c2)N(CCc2cnn(C)c2)C1 Fc1cccc(c1)[*:1] C[C@H]1C[C@@H](N(CCc2cnn(C)c2)C1)[*:1]
C[C@H]1C[C@@H](c2cccc(F)c2)N(CCc2cnn(C)c2)C1 Cn1cc(cn1)[*:1] C[C@H]1C[C@@H](c2cccc(F)c2)N(CC[*:1])C1
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)NCc1csc(C2CC2)n1 c1sc(nc1[*:1])C1CC1 CC[C@@H]1CN(C)c2ccccc2CN1C(=O)NC[*:1]
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)NCc1csc(C2CC2)n1 C1CC1[*:1] CC[C@@H]1CN(C)c2ccccc2CN1C(=O)NCc1csc(n1)[*:1]
CCNC(=O)c1ccc(SC[C@H](C)C(=O)[O-])nn1 O=C([O-])[*:1] CCNC(=O)c1ccc(nn1)SC[C@H](C)[*:1]
CCNC(=O)c1ccc(SC[C@H](C)C(=O)[O-])nn1 CCNC(=O)[*:1] C[C@@H](CSc1ccc(nn1)[*:1])C(=O)[O-]
Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2nnc(C)n2C)cc1C Cc1ccc(cc1C)[*:1] Cc1nnc([C@H](NC(=O)N[*:1])c2ccccc2)n1C
Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2nnc(C)n2C)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)N[C@H](c1nnc(C)n1C)[*:1]
Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2nnc(C)n2C)cc1C Cc1nnc(n1C)[*:1] Cc1ccc(cc1C)NC(=O)N[C@H](c1ccccc1)[*:1]
COc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2C(=O)N(C)C)c1 CN(C)C(=O)[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1ccccc1[*:1]
COc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2C(=O)N(C)C)c1 COc1cccc(c1)[*:1] CN(C)C(=O)c1ccccc1NC(=O)N1CCC[C@H]1[*:1]
O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCCl ClCC[*:1] O=C(CSCc1ccc(Cl)c(Cl)c1)NC[*:1]
O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCCl ClCCC[*:1] O=C(CSCc1ccc(Cl)c(Cl)c1)N[*:1]
CCOc1ccc2c(c1)N(C(=O)C(F)(F)F)C(C)(C)c1ssc(=S)c1-2 FC(F)(F)[*:1] CCOc1ccc2c(c1)N(C(=O)[*:1])C(C)(C)c1ssc(=S)c1-2
CCOc1ccc2c(c1)N(C(=O)C(F)(F)F)C(C)(C)c1ssc(=S)c1-2 CCO[*:1] CC1(C)c2ssc(=S)c2-c2ccc(cc2N1C(=O)C(F)(F)F)[*:1]
CC[C@H](C)[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1nc2ccccc2[nH]1 O=c1ccc(c[nH]1)[*:1] CC[C@H](C)[C@@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
CC[C@H](C)[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1nc2ccccc2[nH]1 CC[C@H](C)[*:1] O=C(N[C@@H](c1nc2ccccc2[nH]1)[*:1])c1ccc(=O)[nH]c1
O=C(COc1ccc2nccnc2c1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C(COc1ccc2nccnc2c1)N(C1CC1)[*:1]
O=C(COc1ccc2nccnc2c1)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(COc1ccc2nccnc2c1)N(Cc1ccccc1)[*:1]
O=C(COc1ccc2nccnc2c1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(COc1ccc2nccnc2c1)N(C[*:1])C1CC1
CC(C)(C)CC(=O)N1CCC[C@H]1c1ccncc1 c1cc(ccn1)[*:1] CC(C)(C)CC(=O)N1CCC[C@@H]1[*:1]
CC(C)(C)CC(=O)N1CCC[C@H]1c1ccncc1 CC(C)(C)C[*:1] O=C(N1CCC[C@H]1c1ccncc1)[*:1]
CC(C)(C)CC(=O)N1CCC[C@H]1c1ccncc1 CC(C)(C)[*:1] O=C(C[*:1])N1CCC[C@H]1c1ccncc1
CCC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1N CCC[C@@H](C)[*:1] Cc1cccc(O[C@@H](C)C(=O)N[*:1])c1N
CCC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1N CCC[*:1] Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)[*:1])c1N
O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccc(F)c(c1)[*:1])N1CCC(O)(CC1)C(F)(F)F
O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccc(F)c(c1)C(F)(F)F)N1CCC(O)(CC1)[*:1]
CCOCCN(C)C(=O)N[C@@H](CC)c1cccs1 CCOC[*:1] CC[C@H](NC(=O)N(C)C[*:1])c1cccs1
CCOCCN(C)C(=O)N[C@@H](CC)c1cccs1 CCOCC[*:1] CC[C@H](NC(=O)N(C)[*:1])c1cccs1
CCOCCN(C)C(=O)N[C@@H](CC)c1cccs1 CCO[*:1] CC[C@H](NC(=O)N(C)CC[*:1])c1cccs1
CCOCCN(C)C(=O)N[C@@H](CC)c1cccs1 c1csc(c1)[*:1] CCOCCN(C)C(=O)N[C@@H](CC)[*:1]
C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H](C)CO C[C@@H](CO)[*:1] C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C[*:1]
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2N2CCOCC2)c1 Cc1cccc(c1)[*:1] Cn1c(=O)c2c(n(cc2n(C)c1=O)N1CCOCC1)[*:1]
COc1ccccc1Cn1c(SCC(=O)N2CCCc3ccccc32)nc2ccsc2c1=O COc1ccccc1[*:1] O=C(CSc1nc2ccsc2c(=O)n1C[*:1])N1CCCc2ccccc21
COc1ccccc1Cn1c(SCC(=O)N2CCCc3ccccc32)nc2ccsc2c1=O COc1ccccc1C[*:1] O=C(CSc1nc2ccsc2c(=O)n1[*:1])N1CCCc2ccccc21
Cc1ccnc(-c2ccc(NCc3ccc(F)cc3F)cc2)n1 Cc1ccnc(n1)[*:1] Fc1ccc(CNc2ccc(cc2)[*:1])c(F)c1
Cc1ccc2nc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)sc2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(NC(=O)[C@H]3CC(=O)N(C3)C[*:1])sc2c1
Cc1ccc2nc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)sc2c1 c1ccc(cc1)C[*:1] Cc1ccc2nc(NC(=O)[C@H]3CC(=O)N(C3)[*:1])sc2c1
N#Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2F)n[nH]1 O=[N+]([O-])[*:1] N#Cc1cc(ccc1Sc1nc(n[nH]1)-c1ccccc1F)[*:1]
N#Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2F)n[nH]1 Fc1ccccc1[*:1] N#Cc1cc(ccc1Sc1nc(n[nH]1)[*:1])[N+](=O)[O-]
CS(=O)(=O)c1ccc(-n2nnnc2COc2cccc(I)c2)cc1 Ic1cccc(c1)O[*:1] CS(=O)(=O)c1ccc(cc1)-n1nnnc1C[*:1]
CS(=O)(=O)c1ccc(-n2nnnc2COc2cccc(I)c2)cc1 CS(=O)(=O)[*:1] Ic1cccc(c1)OCc1nnnn1-c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(-n2nnnc2COc2cccc(I)c2)cc1 Ic1cccc(c1)[*:1] CS(=O)(=O)c1ccc(cc1)-n1nnnc1CO[*:1]
C[NH+](C)CCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1 C1CC1[*:1] C[NH+](C)CCNC(=O)c1cccc(c1)NC(=O)c1nnc(s1)[*:1]
C[NH+](C)CCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1 C1CC1c1nnc(s1)[*:1] C[NH+](C)CCNC(=O)c1cccc(c1)NC(=O)[*:1]
CSC[C@H](C)Cn1c(CCl)nc2ccc(C)cc21 CSC[C@H](C)[*:1] Cc1ccc2nc(CCl)n(C[*:1])c2c1
CSC[C@H](C)Cn1c(CCl)nc2ccc(C)cc21 CSC[*:1] Cc1ccc2nc(CCl)n(C[C@@H](C)[*:1])c2c1
CSC[C@H](C)Cn1c(CCl)nc2ccc(C)cc21 CSC[C@H](C)C[*:1] Cc1ccc2nc(CCl)n(c2c1)[*:1]
CCCNC(=O)C1CCN(C(=O)NC(C2CC2)C2CC2)CC1 C1CC1C(C1CC1)[*:1] CCCNC(=O)C1CCN(CC1)C(=O)N[*:1]
CCCNC(=O)C1CCN(C(=O)NC(C2CC2)C2CC2)CC1 CCCNC(=O)[*:1] O=C(NC(C1CC1)C1CC1)N1CCC(CC1)[*:1]
CCCNC(=O)C1CCN(C(=O)NC(C2CC2)C2CC2)CC1 CCC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)NC(C1CC1)C1CC1
CCCNC(=O)C1CCN(C(=O)NC(C2CC2)C2CC2)CC1 C1CC1[*:1] CCCNC(=O)C1CCN(CC1)C(=O)NC(C1CC1)[*:1]
CC(C)CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 CC(C)C[*:1] O=C(COc1ccc(F)cc1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=C(COc1ccc(F)cc1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] CC(C)CN(C(=O)CO[*:1])[C@@H]1CCS(=O)(=O)C1
O=C=Nc1ccc2c(c1)O[C@@H](F)C(F)(F)O2 O=C=N[*:1] F[C@@H]1Oc2cc(ccc2OC1(F)F)[*:1]
CC(=O)c1ccc(S(=O)(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1 CC(=O)[*:1] O=C1Cc2cc(cc3CCCN1c32)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(C)c(CS(=O)(=O)Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CC(C)CNC(=O)c1cccc(c1)CS(=O)(=O)C[*:1]
Cc1cc(C)c(CS(=O)(=O)Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1 CC(C)CNC(=O)[*:1] Cc1cc(C)c(CS(=O)(=O)Cc2cccc(c2)[*:1])c(C)c1
Cc1cc(C)c(CS(=O)(=O)Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1 CC(C)C[*:1] Cc1cc(C)c(CS(=O)(=O)Cc2cccc(c2)C(=O)N[*:1])c(C)c1
Cc1cc(C)c(CS(=O)(=O)Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1 CC(C)[*:1] Cc1cc(C)c(CS(=O)(=O)Cc2cccc(c2)C(=O)NC[*:1])c(C)c1
COCCn1ccc2c(OCC(=O)NC3CCCC3)cccc2c1=O COCC[*:1] O=C(COc1cccc2c(=O)n(ccc12)[*:1])NC1CCCC1
COCCn1ccc2c(OCC(=O)NC3CCCC3)cccc2c1=O C1CCC(C1)[*:1] COCCn1ccc2c(cccc2c1=O)OCC(=O)N[*:1]
COCCn1ccc2c(OCC(=O)NC3CCCC3)cccc2c1=O O=C(NC1CCCC1)[*:1] COCCn1ccc2c(cccc2c1=O)OC[*:1]
COCCn1ccc2c(OCC(=O)NC3CCCC3)cccc2c1=O COC[*:1] O=C(COc1cccc2c(=O)n(ccc12)C[*:1])NC1CCCC1
CCOc1ccc(N[C@H]2CCOC(C)(C)C2)cn1 CCO[*:1] CC1(C)C[C@H](CCO1)Nc1ccc(nc1)[*:1]
CC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 CC(=O)[*:1] O=C1C[C@@H](C(=O)Oc2ccc(cc2)[*:1])c2ccccc2N1
Cc1noc(C)c1[C@H](C)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] Cc1noc(C)c1[C@H](C)C(=O)NCC(C)(C)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1noc(C)c1[C@H](C)C(=O)NCC(C)(C)NC(=O)O[*:1]
Cc1noc(C)c1[C@H](C)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C Cc1noc(C)c1[*:1] C[C@H](C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)[*:1]
CCOc1ccc(NC(=O)C(=O)NC[C@]2(O)CCCc3ccccc32)cc1 CCO[*:1] O=C(NC[C@]1(O)CCCc2ccccc21)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)C(=O)NC[C@]2(O)CCCc3ccccc32)cc1 CCOc1ccc(cc1)[*:1] O=C(NC[C@]1(O)CCCc2ccccc21)C(=O)N[*:1]
Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c(C)c1 c1cncc(c1)[*:1] Cc1ccc(C(=O)CSc2nnc(n2-c2ccccc2F)[*:1])c(C)c1
Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1F)[*:1]
Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c(C)c1 Cc1ccc(C(=O)[*:1])c(C)c1 Fc1ccccc1-n1c(nnc1-c1cccnc1)SC[*:1]
Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c(C)c1 Fc1ccccc1[*:1] Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2[*:1])c(C)c1
CC(C)c1nc2cccnc2n1C1CCN(C(=O)[C@@H](O)c2ccccc2Cl)CC1 CC(C)[*:1] O=C([C@@H](O)c1ccccc1Cl)N1CCC(CC1)n1c(nc2cccnc21)[*:1]
CC(C)c1nc2cccnc2n1C1CCN(C(=O)[C@@H](O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC(C)c1nc2cccnc2n1C1CCN(CC1)C(=O)[C@@H](O)[*:1]
Cc1nc(N(C)C)c2c([nH+]1)CN(C(=O)CN1C(=O)NC(=O)C1(C)C)CC2 CN(C)[*:1] Cc1nc(c2CCN(Cc2[nH+]1)C(=O)CN1C(=O)NC(=O)C1(C)C)[*:1]
CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 COc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)c(c1)[*:1]
C[NH2+][C@]1(C(=O)[O-])CCCCC1(C)C O=C([O-])[*:1] C[NH2+][C@@]1(CCCCC1(C)C)[*:1]
CC(C)n1cnnc1[S@@](=O)CCC(=O)Nc1cccc(F)c1 CC(C)[*:1] O=C(CC[S@](=O)c1nncn1[*:1])Nc1cccc(F)c1
CC(C)n1cnnc1[S@@](=O)CCC(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)n1cnnc1[S@@](=O)CCC(=O)N[*:1]
O=C(Cn1c(=O)oc2ccccc21)NC1=N[C@H](c2ccccc2)CS1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)oc2ccccc21)NC1=N[C@H](CS1)[*:1]
C[C@@H]1c2ccccc2O[C@H]1C(=O)NCC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1c2ccccc2O[C@H]1C(=O)NCC[C@H](O)[*:1]
CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccncc2)[C@H](CC)C1 c1cc(ccn1)[*:1] CCC(=O)N1CC[C@H]([NH2+][C@@H](C)[*:1])[C@H](CC)C1
O=C(CCNC(=O)OCC(F)(F)F)Nc1ccc(Cl)cc1Cl FC(F)(F)C[*:1] O=C(CCNC(=O)O[*:1])Nc1ccc(Cl)cc1Cl
O=C(CCNC(=O)OCC(F)(F)F)Nc1ccc(Cl)cc1Cl FC(F)(F)[*:1] O=C(CCNC(=O)OC[*:1])Nc1ccc(Cl)cc1Cl
C[C@H](N[C@H](C)c1cccc(Cl)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O Clc1cccc(c1)[*:1] C[C@H](N[C@H](C)[*:1])C(=O)c1c(N)n(C)c(=O)n(C)c1=O
Cn1cc(C(=O)NCCCc2ccccc2)cn1 Cn1cc(cn1)[*:1] O=C(NCCCc1ccccc1)[*:1]
Cn1cc(C(=O)NCCCc2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)C(=O)NCCC[*:1]
Cc1csc(COc2cc3c(cc2C[C@@H](C)[NH3+])OCO3)n1 Cc1csc(n1)[*:1] C[C@@H]([NH3+])Cc1cc2OCOc2cc1OC[*:1]
Cc1csc(COc2cc3c(cc2C[C@@H](C)[NH3+])OCO3)n1 Cc1csc(C[*:1])n1 C[C@@H]([NH3+])Cc1cc2OCOc2cc1O[*:1]
C[C@@H](OC(=O)CCCn1ccnn1)c1nc2ccccc2s1 c1cn(nn1)[*:1] C[C@@H](OC(=O)CCC[*:1])c1nc2ccccc2s1
C[C@@H](OC(=O)CCCn1ccnn1)c1nc2ccccc2s1 c1cn(CC[*:1])nn1 C[C@@H](OC(=O)C[*:1])c1nc2ccccc2s1
C[C@@H](OC(=O)CCCn1ccnn1)c1nc2ccccc2s1 c1cn(C[*:1])nn1 C[C@@H](OC(=O)CC[*:1])c1nc2ccccc2s1
Cc1ccccc1Nc1nc(N2CCC([NH+]3CCCCC3)CC2)nc2c1cnn2C Cc1ccccc1[*:1] Cn1ncc2c(nc(nc21)N1CCC(CC1)[NH+]1CCCCC1)N[*:1]
Cc1ccccc1Nc1nc(N2CCC([NH+]3CCCCC3)CC2)nc2c1cnn2C Cc1ccccc1N[*:1] Cn1ncc2c(nc(nc21)N1CCC(CC1)[NH+]1CCCCC1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N1CCC[C@H](CN2CCOCC2)C1)[*:1]
O=C([O-])Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc1-c1ccccc1 c1csc(c1)[*:1] O=C([O-])Cc1sc(nc1-c1ccccc1)N1N=C(C[C@@H]1c1ccco1)[*:1]
O=C([O-])Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc1-c1ccccc1 O=C([O-])C[*:1] c1ccc(cc1)-c1nc(sc1[*:1])N1N=C(C[C@@H]1c1ccco1)c1cccs1
O=C([O-])Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc1-c1ccccc1 c1coc(c1)[*:1] O=C([O-])Cc1sc(nc1-c1ccccc1)N1N=C(C[C@H]1[*:1])c1cccs1
O=C([O-])Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc1-c1ccccc1 O=C([O-])[*:1] c1ccc(cc1)-c1nc(sc1C[*:1])N1N=C(C[C@@H]1c1ccco1)c1cccs1
O=C([O-])Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])Cc1sc(nc1[*:1])N1N=C(C[C@@H]1c1ccco1)c1cccs1
COC(=O)c1ccccc1Nc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)c1ccccc1Nc1ncnc(Nc2ccc(F)c(F)c2)c1[*:1]
COC(=O)c1ccccc1Nc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] Fc1ccc(cc1F)N[*:1] COC(=O)c1ccccc1Nc1ncnc(c1[N+](=O)[O-])[*:1]
COC(=O)c1ccccc1Nc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] COC(=O)[*:1] O=[N+]([O-])c1c(ncnc1Nc1ccccc1[*:1])Nc1ccc(F)c(F)c1
COC(=O)c1ccccc1Nc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] Fc1ccc(cc1F)[*:1] COC(=O)c1ccccc1Nc1ncnc(N[*:1])c1[N+](=O)[O-]
CC[C@@](C)([C@@H](N)CCC(F)(F)F)[NH+]1CCCC1 FC(F)(F)C[*:1] CC[C@@](C)([C@@H](N)C[*:1])[NH+]1CCCC1
CC[C@@](C)([C@@H](N)CCC(F)(F)F)[NH+]1CCCC1 FC(F)(F)[*:1] CC[C@@](C)([C@@H](N)CC[*:1])[NH+]1CCCC1
COCCOc1ccc(CN2CCO[C@@H](C)[C@@H]2C)cc1 COCC[*:1] C[C@@H]1OCCN(Cc2ccc(cc2)O[*:1])[C@H]1C
COCCOc1ccc(CN2CCO[C@@H](C)[C@@H]2C)cc1 COC[*:1] C[C@@H]1OCCN(Cc2ccc(cc2)OC[*:1])[C@H]1C
COCCOc1ccc(CN2CCO[C@@H](C)[C@@H]2C)cc1 COCCO[*:1] C[C@@H]1OCCN(Cc2ccc(cc2)[*:1])[C@H]1C
CC1(C)[C@@](C)(C(=O)[O-])[C@@]12CC[C@@H]2C(=O)NCc1ccco1 c1coc(c1)[*:1] CC1(C)[C@@](C)(C(=O)[O-])[C@@]12CC[C@@H]2C(=O)NC[*:1]
CC1(C)[C@@](C)(C(=O)[O-])[C@@]12CC[C@@H]2C(=O)NCc1ccco1 c1coc(c1)C[*:1] CC1(C)[C@@](C)(C(=O)[O-])[C@@]12CC[C@@H]2C(=O)N[*:1]
CC(C)CN(C(=O)c1ccc(F)c(Br)c1)C1CC1 CC(C)[*:1] O=C(c1ccc(F)c(Br)c1)N(C[*:1])C1CC1
CC(C)CN(C(=O)c1ccc(F)c(Br)c1)C1CC1 CC(C)C[*:1] O=C(c1ccc(F)c(Br)c1)N(C1CC1)[*:1]
CC(C)CN(C(=O)c1ccc(F)c(Br)c1)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)c1ccc(F)c(Br)c1)[*:1]
C[C@@H](NC(=O)N(CCO)CCc1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)N(CCO)CCc1ccccc1)[*:1]
C[C@@H](NC(=O)N(CCO)CCc1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N(CCO)CC[*:1])C1CCCCC1
C[C@@H](NC(=O)N(CCO)CCc1ccccc1)C1CCCCC1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)N(CCO)C[*:1])C1CCCCC1
C[C@@H](NC(=O)N(CCO)CCc1ccccc1)C1CCCCC1 OCC[*:1] C[C@@H](NC(=O)N(CCc1ccccc1)[*:1])C1CCCCC1
CCn1c(N(C)Cc2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 Fc1ccc(cc1)C[*:1] CCn1c(nc2sc3CCCCc3c2c1=O)N(C)[*:1]
CCn1c(N(C)Cc2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 Fc1ccc(cc1)[*:1] CCn1c(nc2sc3CCCCc3c2c1=O)N(C)C[*:1]
Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3cccc(Cl)c3)n[nH]2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(/C=N/Nc2nc(n[nH]2)SCC(=O)N[*:1])cc1
Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3cccc(Cl)c3)n[nH]2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])Nc1cccc(Cl)c1
CC1=C(C(=O)OC(C)C)[C@H](C)C(C(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)=N1 CC(C)OC(=O)[*:1] CC1N=C(C(=O)N2CCC[C@@H](C2)C(=O)N2CCN(CC2)c2ccccc2)[C@@H](C)C=1[*:1]
CC1=C(C(=O)OC(C)C)[C@H](C)C(C(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)=N1 CC(C)[*:1] CC1N=C(C(=O)N2CCC[C@@H](C2)C(=O)N2CCN(CC2)c2ccccc2)[C@@H](C)C=1C(=O)O[*:1]
CC1=C(C(=O)OC(C)C)[C@H](C)C(C(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)=N1 c1ccc(cc1)[*:1] CC1N=C(C(=O)N2CCC[C@@H](C2)C(=O)N2CCN(CC2)[*:1])[C@@H](C)C=1C(=O)OC(C)C
Cc1nc(C)c(CCC(=O)N2CCCC[C@@H]2c2cccc(C)c2C)c(=O)[nH]1 Cc1nc(C)c(c(=O)[nH]1)[*:1] Cc1cccc(c1C)[C@H]1CCCCN1C(=O)CC[*:1]
Cc1nc(C)c(CCC(=O)N2CCCC[C@@H]2c2cccc(C)c2C)c(=O)[nH]1 Cc1cccc(c1C)[*:1] Cc1nc(C)c(CCC(=O)N2CCCC[C@H]2[*:1])c(=O)[nH]1
CC(C)OCC(=O)CSC1CCCC1 CC(C)O[*:1] O=C(CSC1CCCC1)C[*:1]
CC(C)OCC(=O)CSC1CCCC1 CC(C)[*:1] O=C(CO[*:1])CSC1CCCC1
Cc1nnc(S[C@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)o1 CC(C)[*:1] Cc1nnc(o1)S[C@H]1CCC[C@](C1)([NH2+][*:1])C(N)=O
Cc1nnc(S[C@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)o1 NC(=O)[*:1] Cc1nnc(o1)S[C@H]1CCC[C@@](C1)([NH2+]C(C)C)[*:1]
Cc1nnc(S[C@H]2CCC[C@]([NH2+]C(C)C)(C(N)=O)C2)o1 Cc1nnc(o1)[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H](C1)S[*:1])C(N)=O
CCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1 CCCC[*:1] O=C(NCCc1ccc(Cl)cc1)C(=O)N[*:1]
CCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1 CCC[*:1] O=C(NCCc1ccc(Cl)cc1)C(=O)NC[*:1]
CS[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1 c1ccc(cc1)C[*:1] CS[C@H]1CC[C@H](C1)NC(=O)N[C@@H]1CCCN(C1=O)[*:1]
CS[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1 c1ccc(cc1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)N[C@@H]1CCCN(C[*:1])C1=O
COCCn1c(-c2ccccc2C)nc2c(c(=O)c3ccccc3n2C)c1=O Cc1ccccc1[*:1] COCCn1c(nc2c(c(=O)c3ccccc3n2C)c1=O)[*:1]
COCCn1c(-c2ccccc2C)nc2c(c(=O)c3ccccc3n2C)c1=O COCC[*:1] Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1[*:1]
COCCn1c(-c2ccccc2C)nc2c(c(=O)c3ccccc3n2C)c1=O COC[*:1] Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1C[*:1]
CN(C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 FC(F)(F)[*:1] CN(C(=O)C1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1])c1ccccc1
CN(C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@H]2C)n(C)c1 CCN(CC)S(=O)(=O)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1cc(cn1C)[*:1]
C[C@@H](NC(=O)CCCNC(=O)c1cccs1)c1ccc(F)c(F)c1 O=C(N[*:1])c1cccs1 C[C@@H](NC(=O)CCC[*:1])c1ccc(F)c(F)c1
C[C@@H](NC(=O)CCCNC(=O)c1cccs1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](NC(=O)CCCNC(=O)c1cccs1)[*:1]
C[C@@H](NC(=O)CCCNC(=O)c1cccs1)c1ccc(F)c(F)c1 c1csc(c1)[*:1] C[C@@H](NC(=O)CCCNC(=O)[*:1])c1ccc(F)c(F)c1
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(F)cc1Cl NC(=O)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)COc1ccc(F)cc1Cl)[*:1]
C[C@H]1Cc2cc(C(=O)Cn3cnc(C#N)n3)ccc2N1S(C)(=O)=O N#Cc1ncn(C[*:1])n1 C[C@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)[*:1]
C[C@H]1Cc2cc(C(=O)Cn3cnc(C#N)n3)ccc2N1S(C)(=O)=O N#Cc1ncn(n1)[*:1] C[C@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)C[*:1]
O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2CN2CCCC2=O)C1 O=C1CCCN1[*:1] O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2C[*:1])C1
O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2CN2CCCC2=O)C1 O=C([O-])[*:1] O=C1CCCN1Cc1ccccc1CN1C[C@H](CC1=O)[*:1]
O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2CN2CCCC2=O)C1 O=C1CCCN1C[*:1] O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2[*:1])C1
NC(=O)c1ccc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)cc1 NC(=O)[*:1] O=C(NCC1(CCOCC1)c1cccc(F)c1)c1ccc(cc1)[*:1]
NC(=O)c1ccc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)cc1 Fc1cccc(c1)[*:1] NC(=O)c1ccc(cc1)C(=O)NCC1(CCOCC1)[*:1]
Cc1cc(NC[C@H](Cc2cnn(C)c2)C(N)=O)c(Cl)cc1[N+](=O)[O-] Cn1cc(cn1)[*:1] Cc1cc(NC[C@H](C[*:1])C(N)=O)c(Cl)cc1[N+](=O)[O-]
Cc1cc(NC[C@H](Cc2cnn(C)c2)C(N)=O)c(Cl)cc1[N+](=O)[O-] Cn1cc(cn1)C[*:1] Cc1cc(NC[C@H](C(N)=O)[*:1])c(Cl)cc1[N+](=O)[O-]
Cc1cc(NC[C@H](Cc2cnn(C)c2)C(N)=O)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(NC[C@H](Cc2cnn(C)c2)C(N)=O)c(Cl)cc1[*:1]
Cc1cc(NC[C@H](Cc2cnn(C)c2)C(N)=O)c(Cl)cc1[N+](=O)[O-] NC(=O)[*:1] Cc1cc(NC[C@H](Cc2cnn(C)c2)[*:1])c(Cl)cc1[N+](=O)[O-]
COc1ccccc1N1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 COc1ccccc1[*:1] O=C(Cn1cnc(c1)S(=O)(=O)N1CCc2ccccc21)N1CCN(CC1)[*:1]
CS(=O)(=O)N1CCCc2cc(NC(=O)COc3ccccc3)ccc21 c1ccc(cc1)OC[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)NC(=O)[*:1]
CS(=O)(=O)N1CCCc2cc(NC(=O)COc3ccccc3)ccc21 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)NC(=O)CO[*:1]
CS(=O)(=O)N1CCCc2cc(NC(=O)COc3ccccc3)ccc21 c1ccc(cc1)O[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)NC(=O)C[*:1]
C[NH2+][C@H](c1ccsc1)C1(N(C)C)CCCCC1 CN(C)[*:1] C[NH2+][C@H](c1ccsc1)C1(CCCCC1)[*:1]
C[NH2+][C@H](c1ccsc1)C1(N(C)C)CCCCC1 c1cc(cs1)[*:1] C[NH2+][C@H](C1(CCCCC1)N(C)C)[*:1]
O=C(Nc1ccccc1Cl)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1Cl)C(c1ccccc1)[*:1]
O=C(Nc1ccccc1Cl)C(c1ccccc1)c1ccccc1 Clc1ccccc1[*:1] O=C(N[*:1])C(c1ccccc1)c1ccccc1
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)c1 C[C@@H]1C[C@H]1C(=O)N[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1cccc(c1)[*:1]
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)c1 C[C@@H]1C[C@@H]1[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1cccc(c1)NC(=O)[*:1]
COC1(NC(=O)c2ccc([N+](=O)[O-])cc2)C(C)=CC(=O)C=C1C O=[N+]([O-])[*:1] COC1(NC(=O)c2ccc(cc2)[*:1])C(C)=CC(=O)C=C1C
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 N#Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N(Cc1ccccc1)Cc1ccccc1
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 N#Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)C[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3cccs3)CC2)c(F)c1 c1csc(c1)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3cccs3)CC2)c(F)c1 CC(=O)[*:1] O=C(c1cccs1)N1CCN(CC1)c1ccc(cc1F)[*:1]
CCOc1cc2c(cc1NC(=O)c1ccc(SC)cc1OC)O[C@@H](C)C2 CCO[*:1] COc1cc(ccc1C(=O)Nc1cc2O[C@@H](C)Cc2cc1[*:1])SC
CC(=O)C1=C([O-])c2c(cccc2[N+](=O)[O-])/C1=N\c1ccc(Cl)cc1 O=[N+]([O-])[*:1] CC(=O)C1=C([O-])c2c(cccc2[*:1])/C1=N\c1ccc(Cl)cc1
CC(=O)C1=C([O-])c2c(cccc2[N+](=O)[O-])/C1=N\c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)C1=C([O-])c2c(cccc2[N+](=O)[O-])C1=N[*:1]
CC(=O)C1=C([O-])c2c(cccc2[N+](=O)[O-])/C1=N\c1ccc(Cl)cc1 CC(=O)[*:1] O=[N+]([O-])c1cccc2/C(=N\c3ccc(Cl)cc3)C(=C([O-])c21)[*:1]
Cc1noc([C@H]2CCCN(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C2)n1 Cc1noc(n1)[*:1] O=C(Nc1ccc2OC3(CCCCC3)Oc2c1)N1CCC[C@@H](C1)[*:1]
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@@]21C CC(=O)[*:1] C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@H](CC[C@@]43C)OC=O)[C@@H]1CC[C@@]2(O)[*:1]
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@@]21C O=CO[*:1] CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)[C@@H]3CC[C@@]21C)[*:1]
CCNc1c(C#N)cnc2c(C)cccc12 CCN[*:1] Cc1cccc2c(c(C#N)cnc12)[*:1]
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)c1ccn(n1)[*:1])S(=O)(=O)N1CCCCC1
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccn(-c2ccccc2)n1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(cc1NC(=O)c1ccn(n1)-c1ccccc1)[*:1]
Cc1ccc(C(=O)NCCCc2c(C)noc2C)c(O)c1C Cc1noc(C)c1[*:1] Cc1ccc(C(=O)NCCC[*:1])c(O)c1C
CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@H]1C=CC[NH2+]1 CCCCC(=O)N[*:1] Cc1ccc(c(c1)NC(=O)[C@H]1C=CC[NH2+]1)[*:1]
CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@H]1C=CC[NH2+]1 CCC[*:1] Cc1ccc(NC(=O)C[*:1])c(c1)NC(=O)[C@H]1C=CC[NH2+]1
CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@H]1C=CC[NH2+]1 CCCC[*:1] Cc1ccc(NC(=O)[*:1])c(c1)NC(=O)[C@H]1C=CC[NH2+]1
Cc1ccc(C)c2sc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)nc12 CN(C)S(=O)(=O)[*:1] Cc1ccc(C)c2sc(nc12)NC(=O)c1cc(ccc1Cl)[*:1]
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(O)cc2)n1[*:1]
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] C[C@@H](Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)[*:1]
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)cc1 Oc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](C)Sc1nnc(n1-c1ccccc1)[*:1]
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)C(=O)N[*:1]
Cc1nsc(NCC2([NH+]3CCCCC3)CCOCC2)n1 Cc1nsc(n1)[*:1] C1CC[NH+](CC1)C1(CCOCC1)CN[*:1]
O=C1NN=C(CSc2nc3ccccc3n2Cc2ccccc2)Oc2ccccc21 c1ccc(cc1)[*:1] O=C1NN=C(CSc2nc3ccccc3n2C[*:1])Oc2ccccc21
O=C1NN=C(CSc2nc3ccccc3n2Cc2ccccc2)Oc2ccccc21 c1ccc(cc1)C[*:1] O=C1NN=C(CSc2nc3ccccc3n2[*:1])Oc2ccccc21
Nc1c(NNC(=O)c2ccco2)ncnc1Nc1ccc(C(F)(F)F)cc1 c1coc(c1)[*:1] Nc1c(ncnc1Nc1ccc(cc1)C(F)(F)F)NNC(=O)[*:1]
Nc1c(NNC(=O)c2ccco2)ncnc1Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Nc1c(ncnc1Nc1ccc(cc1)[*:1])NNC(=O)c1ccco1
Nc1c(NNC(=O)c2ccco2)ncnc1Nc1ccc(C(F)(F)F)cc1 O=C(NN[*:1])c1ccco1 Nc1c(ncnc1[*:1])Nc1ccc(cc1)C(F)(F)F
CN(C)C(=O)c1ccc(F)c(NC(=O)[C@H]2C[C@H]2c2ccccc2F)c1 CN(C)C(=O)[*:1] O=C(Nc1cc(ccc1F)[*:1])[C@H]1C[C@H]1c1ccccc1F
CN(C)C(=O)c1ccc(F)c(NC(=O)[C@H]2C[C@H]2c2ccccc2F)c1 Fc1ccccc1[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)[C@H]1C[C@@H]1[*:1]
COc1cc(C(=O)CSc2ccc(C)cc2)cc(OC)c1OC Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)CS[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(-c3c[nH+]c4n3CCC4)cc2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)-c1c[nH+]c2CCCn12)[*:1]
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(cc(c1)[*:1])[N+](=O)[O-]
O=C(c1cccnc1O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 Oc1ncccc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1)[*:1]
O=C(c1cccnc1O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] O=C(c1cccnc1O)N1CCN(CC1)S(=O)(=O)[*:1]
CCNC(=O)CN1CCN(c2ccc(F)c(F)c2)C1=O CCNC(=O)[*:1] O=C1N(CCN1c1ccc(F)c(F)c1)C[*:1]
CCNC(=O)CN1CCN(c2ccc(F)c(F)c2)C1=O CCNC(=O)C[*:1] O=C1N(CCN1[*:1])c1ccc(F)c(F)c1
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1ccc(cc1)[*:1]
COc1ccc2sc(N(Cc3ccco3)C(=O)c3ccc4ncsc4c3)nc2c1 c1coc(c1)C[*:1] COc1ccc2sc(nc2c1)N(C(=O)c1ccc2ncsc2c1)[*:1]
COc1ccc2sc(N(Cc3ccco3)C(=O)c3ccc4ncsc4c3)nc2c1 c1coc(c1)[*:1] COc1ccc2sc(nc2c1)N(C[*:1])C(=O)c1ccc2ncsc2c1
COc1ccc2sc(N(Cc3ccco3)C(=O)c3ccc4ncsc4c3)nc2c1 c1nc2ccc(cc2s1)[*:1] COc1ccc2sc(nc2c1)N(Cc1ccco1)C(=O)[*:1]
CN(C)C(=O)c1cc(NC(=O)C(=O)NCCC2CCCCC2)ccn1 C1CCC(CC1)CC[*:1] CN(C)C(=O)c1cc(ccn1)NC(=O)C(=O)N[*:1]
CN(C)C(=O)c1cc(NC(=O)C(=O)NCCC2CCCCC2)ccn1 CN(C)C(=O)[*:1] O=C(NCCC1CCCCC1)C(=O)Nc1ccnc(c1)[*:1]
CN(C)C(=O)c1cc(NC(=O)C(=O)NCCC2CCCCC2)ccn1 C1CCC(CC1)C[*:1] CN(C)C(=O)c1cc(ccn1)NC(=O)C(=O)NC[*:1]
CN(C)C(=O)c1cc(NC(=O)C(=O)NCCC2CCCCC2)ccn1 C1CCC(CC1)[*:1] CN(C)C(=O)c1cc(ccn1)NC(=O)C(=O)NCC[*:1]
C[C@H](O)C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 Clc1ccccc1[*:1] C[C@H](O)C(=O)N1CCC(CC1)n1nccc1NC(=O)N[*:1]
Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2F)cc1 NC(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1F)[*:1]
O=C([O-])C[C@@H]1COc2ccccc2N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C([O-])C[C@@H]1COc2ccccc2N1[*:1]
O=C([O-])C[C@@H]1COc2ccccc2N1Cc1ccccc1 O=C([O-])[*:1] c1ccc(cc1)CN1c2ccccc2OC[C@H]1C[*:1]
O=C([O-])C[C@@H]1COc2ccccc2N1Cc1ccccc1 O=C([O-])C[*:1] c1ccc(cc1)CN1c2ccccc2OC[C@H]1[*:1]
O=C([O-])C[C@@H]1COc2ccccc2N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C([O-])C[C@@H]1COc2ccccc2N1C[*:1]
COc1ccc(C(=O)Nc2ccccc2NC(=O)C(F)(F)F)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1NC(=O)[*:1])C(F)(F)F
COc1ccc(C(=O)Nc2ccccc2NC(=O)C(F)(F)F)cc1 O=C(N[*:1])C(F)(F)F COc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
COc1ccc(C(=O)Nc2ccccc2NC(=O)C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C(=O)Nc1ccccc1NC(=O)[*:1]
O=C1CC[NH+](Cc2cc(=O)c(OCC(=O)NCc3ccco3)co2)CC1 c1coc(c1)[*:1] O=C1CC[NH+](CC1)Cc1cc(=O)c(co1)OCC(=O)NC[*:1]
O=C1CC[NH+](Cc2cc(=O)c(OCC(=O)NCc3ccco3)co2)CC1 c1coc(c1)C[*:1] O=C1CC[NH+](CC1)Cc1cc(=O)c(co1)OCC(=O)N[*:1]
CC(=O)N1CCN(Cc2cc(N[C@H]3CCCC[C@@H]3O)cc[nH+]2)CC1 O[C@H]1CCCC[C@@H]1N[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)[*:1]
CC(=O)N1CCN(Cc2cc(N[C@H]3CCCC[C@@H]3O)cc[nH+]2)CC1 O[C@H]1CCCC[C@@H]1[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N[*:1]
COc1ccccc1[C@@H](C)N(C)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] COc1ccccc1[C@@H](C)N(C)C(=O)N[C@H](C)c1nc(no1)[*:1]
COc1ccccc1[C@@H](C)N(C)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 COc1ccccc1[*:1] C[C@@H](NC(=O)N(C)[C@H](C)[*:1])c1nc(no1)C1CCCC1
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)[O-])/C(=C/c1cccc(c1)[N+](=O)[O-])NC(=O)[*:1]
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2C(=O)[O-])cc1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)NC(=C[*:1])C(=O)Nc1ccccc1C(=O)[O-]
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2C(=O)[O-])cc1 O=C([O-])c1ccccc1[*:1] Cc1ccc(cc1)C(=O)N/C(=C\c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2C(=O)[O-])cc1 Cc1ccc(cc1)C(=O)N[*:1] O=C(Nc1ccccc1C(=O)[O-])C(=Cc1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2C(=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)N/C(=C\c1cccc(c1)[*:1])C(=O)Nc1ccccc1C(=O)[O-]
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)C(=O)N/C(=C\c1cccc(c1)[N+](=O)[O-])C(=O)Nc1ccccc1[*:1]
O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(C1CCC(=O)N(N=1)[C@H]1CCS(=O)(=O)C1)N1CCO[C@H](C1)[*:1]
CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)cc1 CC(C)c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])n2nc(nc2N1)-c1cccnc1
CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)cc1 CC(C)[*:1] O=C1C[C@H](C(=O)Nc2ccc(cc2)[*:1])n2nc(nc2N1)-c1cccnc1
CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4cccnc4)nn32)cc1 c1cncc(c1)[*:1] CC(C)c1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2nc(nn21)[*:1]
Cc1cccc([C@@H](CN[C@H](C)c2cnc(C)s2)N2CCOCC2)c1 Cc1ncc(s1)[*:1] Cc1cccc(c1)[C@@H](CN[C@H](C)[*:1])N1CCOCC1
Cc1cccc([C@@H](CN[C@H](C)c2cnc(C)s2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H](CN[C@H](C)c1cnc(C)s1)[*:1]
Cc1cccc([C@@H](CN[C@H](C)c2cnc(C)s2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] Cc1ncc(s1)[C@@H](C)NC[C@@H](N1CCOCC1)[*:1]
COc1ncnc(N)c1C[NH+]1CCC(c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] COc1ncnc(N)c1C[NH+]1CCC(CC1)[*:1]
OC[C@@]1([NH2+]C2CC2)CC[C@H](Oc2ccc(F)c(F)c2)C1 C1CC1[*:1] OC[C@]1(CC[C@@H](C1)Oc1ccc(F)c(F)c1)[NH2+][*:1]
CC[C@@H](NC(=O)c1ccc2c(c1)ncn2C(C)C)C(=O)OC CC[C@@H](C(=O)OC)[*:1] CC(C)n1cnc2cc(ccc21)C(=O)N[*:1]
CC[C@@H](NC(=O)c1ccc2c(c1)ncn2C(C)C)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)c1ccc2c(c1)ncn2C(C)C)[*:1]
CC[C@@H](NC(=O)c1ccc2c(c1)ncn2C(C)C)C(=O)OC CC(C)[*:1] CC[C@@H](NC(=O)c1ccc2c(c1)ncn2[*:1])C(=O)OC
Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] Cc1cc(cnc1NCc1ccc(o1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C(=O)[O-])o1 O=[N+]([O-])[*:1] Cc1cc(cnc1NCc1ccc(o1)C(=O)[O-])[*:1]
CSc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] CSc1ccc(cc1)[C@@H](c1oc2ccccc2c1NC(=O)c1ccco1)[*:1]
CSc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCOCC2)cc1 CSc1ccc(cc1)[*:1] O=C(Nc1c(oc2ccccc12)[C@@H](N1CCOCC1)[*:1])c1ccco1
CSc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCOCC2)cc1 c1coc(c1)[*:1] CSc1ccc(cc1)[C@@H](c1oc2ccccc2c1NC(=O)[*:1])N1CCOCC1
CSc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCOCC2)cc1 O=C(N[*:1])c1ccco1 CSc1ccc(cc1)[C@@H](c1oc2ccccc2c1[*:1])N1CCOCC1
CC[C@@H](Nc1ncnc2c1cnn2CC(=O)OC)c1nccs1 COC(=O)[*:1] CC[C@@H](Nc1ncnc2c1cnn2C[*:1])c1nccs1
CC[C@@H](Nc1ncnc2c1cnn2CC(=O)OC)c1nccs1 COC(=O)C[*:1] CC[C@@H](Nc1ncnc2c1cnn2[*:1])c1nccs1
CC[C@@H](Nc1ncnc2c1cnn2CC(=O)OC)c1nccs1 c1csc(n1)[*:1] CC[C@@H](Nc1ncnc2c1cnn2CC(=O)OC)[*:1]
C[C@@H]1CN(C(=O)C(C)(C)/C(N)=N/O)C[C@H]1C N/C(=N\O)[*:1] C[C@@H]1CN(C[C@H]1C)C(=O)C(C)(C)[*:1]
CN1CCO[C@H](C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCO[C@@H](C1)C(=O)N1CCC[C@@H]1CC(=O)[*:1]
Cc1cc(C)c(NC(=O)CN2N=C(c3ccccc3F)c3cc(Cl)ccc3S2(=O)=O)c(C)c1 Fc1ccccc1[*:1] Cc1cc(C)c(NC(=O)CN2N=C(c3cc(Cl)ccc3S2(=O)=O)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN2N=C(c3ccccc3F)c3cc(Cl)ccc3S2(=O)=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CN1N=C(c2ccccc2F)c2cc(Cl)ccc2S1(=O)=O)N[*:1]
CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccncc2)CC1 c1cc(ccn1)[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)N(C)C[*:1]
CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)N(C)[*:1]
CCN(C(=O)c1cn(Cc2cccnc2)nn1)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(C(=O)c1cn(Cc2cccnc2)nn1)[C@@H](C)[*:1]
CCN(C(=O)c1cn(Cc2cccnc2)nn1)[C@@H](C)CS(C)(=O)=O c1cncc(c1)[*:1] CCN(C(=O)c1cn(C[*:1])nn1)[C@@H](C)CS(C)(=O)=O
CCN(C(=O)c1cn(Cc2cccnc2)nn1)[C@@H](C)CS(C)(=O)=O c1cncc(c1)C[*:1] CCN(C(=O)c1cn(nn1)[*:1])[C@@H](C)CS(C)(=O)=O
CCN(C(=O)c1cn(Cc2cccnc2)nn1)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(C(=O)c1cn(Cc2cccnc2)nn1)[C@@H](C)C[*:1]
Cc1nc(Sc2ccc(C#N)cc2[N+](=O)[O-])oc1C O=[N+]([O-])[*:1] Cc1nc(oc1C)Sc1ccc(C#N)cc1[*:1]
Cn1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1 Cn1ccc(c1)[*:1] O=C1CCCCN1CC1CC[NH+](CC1)C[*:1]
Cn1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1 O=C1CCCCN1[*:1] Cn1ccc(c1)C[NH+]1CCC(CC1)C[*:1]
Cn1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1 Cn1ccc(c1)C[*:1] O=C1CCCCN1CC1CC[NH+](CC1)[*:1]
CCOC(=O)c1sc(N/N=C/[C@H]2CC=CCC2)nc1C CCOC(=O)[*:1] Cc1nc(N/N=C/[C@H]2CC=CCC2)sc1[*:1]
CC[C@@H](C#N)OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 CC[C@@H](C#N)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)C(=O)O[*:1]
CCCCOc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 CCCC[*:1] O=C(c1cccc(c1)O[*:1])N1CCN(CC1)Cc1ccccc1
CCCCOc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] CCCCOc1cccc(c1)C(=O)N1CCN(CC1)[*:1]
CCCCOc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 CCCCO[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)Cc1ccccc1
CCCCOc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 CCC[*:1] O=C(c1cccc(c1)OC[*:1])N1CCN(CC1)Cc1ccccc1
CCCCOc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CCCCOc1cccc(c1)C(=O)N1CCN(CC1)C[*:1]
C[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(F)(F)F FC(F)(F)[*:1] C[C@H](NS(=O)(=O)c1ccccc1)C(=O)OC[*:1]
C[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(F)(F)F c1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)OCC(F)(F)F
C[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(F)(F)F FC(F)(F)C[*:1] C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[*:1]
CCC[C@@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)n1cccc1 CCC[*:1] O=C([C@@H](n1cccc1)[*:1])N1CCc2c(C1)nc([nH]c2=O)-c1cccnc1
CCC[C@@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)n1cccc1 c1ccn(c1)[*:1] CCC[C@@H](C(=O)N1CCc2c(C1)nc([nH]c2=O)-c1cccnc1)[*:1]
CCC[C@@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)n1cccc1 c1cncc(c1)[*:1] CCC[C@@H](C(=O)N1CCc2c(C1)nc([nH]c2=O)[*:1])n1cccc1
O=C(CC1CCCC1)N1CCN(c2ncccc2F)CC1 C1CCC(C1)C[*:1] O=C(N1CCN(CC1)c1ncccc1F)[*:1]
O=C(CC1CCCC1)N1CCN(c2ncccc2F)CC1 C1CCC(C1)[*:1] O=C(C[*:1])N1CCN(CC1)c1ncccc1F
O=C(CC1CCCC1)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=C(CC1CCCC1)N1CCN(CC1)[*:1]
CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)N1CCOCC1 CC(C)[*:1] C[C@@H](NC(=O)NC[C@@H](N1CCOCC1)[*:1])c1ccc(Cl)cc1Cl
CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)N1CCOCC1 Clc1ccc(c(Cl)c1)[*:1] CC(C)[C@@H](CNC(=O)N[C@H](C)[*:1])N1CCOCC1
CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)[*:1]
CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1C1CC1 CC[C@@H](C)[*:1] N#C[C@@H](C(=O)c1cnn(c1C1CC1)[*:1])c1nc2ccccc2s1
CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c1[*:1]
CCC(CC)[C@H](CNC(=O)c1ccc2[nH]cnc2c1)N1CCOCC1 CCC(CC)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1ccc2[nH]cnc2c1
CCC(CC)[C@H](CNC(=O)c1ccc2[nH]cnc2c1)N1CCOCC1 C1CN(CCO1)[*:1] CCC(CC)[C@H](CNC(=O)c1ccc2[nH]cnc2c1)[*:1]
Cc1ccc(Oc2ccc(NC(=O)Cn3nc(C)c4ccccc4c3=O)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(CC(=O)Nc2ccc(cc2)O[*:1])c(=O)c2ccccc12
Cc1ccc(Oc2ccc(NC(=O)Cn3nc(C)c4ccccc4c3=O)cc2)cc1 Cc1ccc(cc1)O[*:1] Cc1nn(CC(=O)Nc2ccc(cc2)[*:1])c(=O)c2ccccc12
C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(F)cc3)c2C#N)C1 Fc1ccc(cc1)O[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)C[*:1])c2C#N
C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(F)cc3)c2C#N)C1 Fc1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CO[*:1])c2C#N
Cc1n[nH]c(-c2ccc(C(=O)NCCC(=O)Nc3ccncc3)cc2)n1 c1cc(ccn1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)NCCC(=O)N[*:1]
Cc1n[nH]c(-c2ccc(C(=O)NCCC(=O)Nc3ccncc3)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(CCNC(=O)c1ccc(cc1)[*:1])Nc1ccncc1
O=C(NC[C@H](O)c1ccco1)N[C@H](c1ccccc1)C1CC1 O[C@H](c1ccco1)[*:1] O=C(NC[*:1])N[C@H](c1ccccc1)C1CC1
O=C(NC[C@H](O)c1ccco1)N[C@H](c1ccccc1)C1CC1 c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])N[C@H](c1ccccc1)C1CC1
O=C(NC[C@H](O)c1ccco1)N[C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(NC[C@H](O)c1ccco1)N[C@H](C1CC1)[*:1]
O=C(NC[C@H](O)c1ccco1)N[C@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(NC[C@H](O)c1ccco1)N[C@H](c1ccccc1)[*:1]
CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)cc2)[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)cc2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@H](CNC(=O)C(=O)N[*:1])[NH+](C)C
Cc1ccc(-c2ncco2)cc1NC(=O)Cc1cn2ccsc2n1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)Cc1cn2ccsc2n1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)Cc1cn2ccsc2n1 c1cn2cc(nc2s1)[*:1] Cc1ccc(cc1NC(=O)C[*:1])-c1ncco1
CC(C)[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1)CS(C)(=O)=O)c1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 CS(=O)(=O)C[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(cc1)C(C)(C)C
CC(C)[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)[C@@H](NC(=O)c1ccc(cc1)CS(C)(=O)=O)[*:1]
CC(C)[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 CS(=O)(=O)[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1)C[*:1])c1ccc(cc1)C(C)(C)C
c1cnc2[nH]nc([C@H]3CN(c4cnccn4)CCO3)c2c1 c1cnc(cn1)[*:1] c1cnc2[nH]nc(c2c1)[C@H]1CN(CCO1)[*:1]
COc1cc(Cl)ccc1C(=O)NNC(=O)NCC(F)(F)F FC(F)(F)[*:1] COc1cc(Cl)ccc1C(=O)NNC(=O)NC[*:1]
COc1cc(Cl)ccc1C(=O)NNC(=O)NCC(F)(F)F FC(F)(F)C[*:1] COc1cc(Cl)ccc1C(=O)NNC(=O)N[*:1]
CCC(C)(C)O[C@H]1CCC[C@@]([NH2+]C(C)C)(C(=O)[O-])C1 CCC(C)(C)[*:1] CC(C)[NH2+][C@]1(CCC[C@@H](C1)O[*:1])C(=O)[O-]
CCC(C)(C)O[C@H]1CCC[C@@]([NH2+]C(C)C)(C(=O)[O-])C1 CCC(C)(C)O[*:1] CC(C)[NH2+][C@]1(CCC[C@@H](C1)[*:1])C(=O)[O-]
CCC(C)(C)O[C@H]1CCC[C@@]([NH2+]C(C)C)(C(=O)[O-])C1 O=C([O-])[*:1] CCC(C)(C)O[C@H]1CCC[C@](C1)([NH2+]C(C)C)[*:1]
CCC(C)(C)O[C@H]1CCC[C@@]([NH2+]C(C)C)(C(=O)[O-])C1 CC(C)[*:1] CCC(C)(C)O[C@H]1CCC[C@@](C1)([NH2+][*:1])C(=O)[O-]
CS(=O)(=O)NCCCCCC(=O)[O-] O=C([O-])C[*:1] CS(=O)(=O)NCCCC[*:1]
CS(=O)(=O)NCCCCCC(=O)[O-] O=C([O-])[*:1] CS(=O)(=O)NCCCCC[*:1]
O=C(OC[C@@H]1CC1(Cl)Cl)c1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(OC[C@@H]1CC1(Cl)Cl)c1ccn(n1)[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1nccs1 CC(C)[*:1] C[C@@H](O)CN(C(=O)Nc1nccs1)[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1nccs1 C[C@@H](O)C[*:1] CC(C)N(C(=O)Nc1nccs1)[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)N(C[C@@H](C)O)C(=O)N[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1nccs1 C[C@@H](O)[*:1] CC(C)N(C[*:1])C(=O)Nc1nccs1
COc1cccc(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(Br)cc1)c1cccnc1N[*:1]
COc1cccc(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] COc1cccc(c1)Nc1ncccc1C(=O)N[*:1]
CCc1ccc(C(=O)N2CCC[C@H](c3nncn3C)C2)cc1 Cn1cnnc1[*:1] CCc1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1]
C[C@H]([NH2+]C1C(C)(C)C1(C)C)[C@H](C)C(=O)[O-] C[C@H](C(=O)[O-])[*:1] C[C@H]([NH2+]C1C(C)(C)C1(C)C)[*:1]
C[C@H]([NH2+]C1C(C)(C)C1(C)C)[C@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+]C1C(C)(C)C1(C)C)[C@H](C)[*:1]
CC(=O)c1cccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@H]1c1ccc2OCOc2c1
CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)c1C N#Cc1ccc(cc1)[*:1] CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])c1C
CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)c1C CCn1c(C)cc(c1C)[*:1] C[C@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc(C#N)cc1
COC(=O)CNC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1 COC(=O)[*:1] Cn1nc(cc1NC(=O)C1CCCC1)C(=O)NC[*:1]
COC(=O)CNC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1 C1CCC(C1)[*:1] COC(=O)CNC(=O)c1cc(NC(=O)[*:1])n(C)n1
COC(=O)CNC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1 COC(=O)C[*:1] Cn1nc(cc1NC(=O)C1CCCC1)C(=O)N[*:1]
Cc1c(NC(=O)[C@H]2CCC(=O)N2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)[C@H]2CCC(=O)N2)c(=O)n(n1C)[*:1]
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=S)NNC(=O)[C@H]1C[C@@H]1[*:1]
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccccc2F)c1 Cc1ccc(C)c(c1)[*:1] O=C(NNC(=S)N[*:1])[C@H]1C[C@H]1c1ccccc1F
CC(C)(C)c1cc(NC(=O)NCc2cc(F)ccc2F)n(C(C)(C)C)n1 CC(C)(C)[*:1] CC(C)(C)c1cc(NC(=O)NCc2cc(F)ccc2F)n(n1)[*:1]
CC(C)(C)c1cc(NC(=O)NCc2cc(F)ccc2F)n(C(C)(C)C)n1 CC(C)(C)[*:1] CC(C)(C)n1nc(cc1NC(=O)NCc1cc(F)ccc1F)[*:1]
CC(C)(C)c1cc(NC(=O)NCc2cc(F)ccc2F)n(C(C)(C)C)n1 Fc1ccc(F)c(c1)[*:1] CC(C)(C)c1cc(NC(=O)NC[*:1])n(n1)C(C)(C)C
NC(=O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 NC(=O)CC[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N[*:1]
NC(=O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 NC(=O)[*:1] O=C(NCC[*:1])Nc1ccc(Cl)c(Cl)c1
NC(=O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 NC(=O)C[*:1] O=C(NC[*:1])Nc1ccc(Cl)c(Cl)c1
O=c1c(NC[C@@H]2CCCO2)c(-c2ccccc2)c1=O c1ccc(cc1)[*:1] O=c1c(NC[C@@H]2CCCO2)c(c1=O)[*:1]
O=c1c(NC[C@@H]2CCCO2)c(-c2ccccc2)c1=O C1CO[C@@H](C1)C[*:1] O=c1c(N[*:1])c(-c2ccccc2)c1=O
O=c1c(NC[C@@H]2CCCO2)c(-c2ccccc2)c1=O C1CO[C@@H](C1)[*:1] O=c1c(NC[*:1])c(-c2ccccc2)c1=O
C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1CO)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1CO)c1ccc(cc1)[*:1]
CCN(CC)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2F)n1 Fc1ccccc1[*:1] CCN(CC)C(=O)/C=C/c1csc(n1)N(C(C)=O)[*:1]
CCN(CC)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2F)n1 CCN(CC)C(=O)[*:1] CC(=O)N(c1nc(C=C[*:1])cs1)c1ccccc1F
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCNC1=O O=C1NCCC[C@@H]1[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[*:1]
Cc1cccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C(=O)N(C)[C@H](C)c2ccc(cc2)S(C)(=O)=O)c1[*:1]
Cc1cccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-] CS(=O)(=O)[*:1] Cc1cccc(C(=O)N(C)[C@H](C)c2ccc(cc2)[*:1])c1[N+](=O)[O-]
CCOc1ccc(/C=N/NC(=O)CO)c2ccccc12 CCO[*:1] O=C(CO)N/N=C/c1ccc(c2ccccc12)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)c1ccccn1 CC(C)[*:1] O=C(Nc1ccc2oc(=O)ccc2c1)N[C@@H](c1ccccn1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 CC(C)(C)[*:1] NS(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1[C@H]1CCCN1C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)c1cccc(c1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1S(=O)(=O)[*:1]
N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(c1ccc2OCCCOc2c1)N1CCN(CC1)[*:1]
CC(C)c1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)c2ccccc2n1 C1CN(CCO1)C[*:1] CC(C)c1cc(C(=O)NC[C@](C)(O)[*:1])c2ccccc2n1
CC(C)c1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)c2ccccc2n1 C1CN(CCO1)[*:1] CC(C)c1cc(C(=O)NC[C@](C)(O)C[*:1])c2ccccc2n1
CC(C)c1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)c2ccccc2n1 CC(C)[*:1] C[C@](O)(CNC(=O)c1cc(nc2ccccc12)[*:1])CN1CCOCC1
COc1cccc2c(=O)c(C(=O)Nc3ccc(NC(C)=O)cc3)cn(C)c12 CC(=O)N[*:1] COc1cccc2c(=O)c(cn(C)c12)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C(=O)/N=c2\[nH]c3ccccc3n2C(C)(C)C)on1 CC(C)(C)[*:1] Cc1cc(on1)C(=O)/N=c1\[nH]c2ccccc2n1[*:1]
Cc1cc(C(=O)/N=c2\[nH]c3ccccc3n2C(C)(C)C)on1 Cc1cc(on1)[*:1] CC(C)(C)n1/c(=N/C(=O)[*:1])[nH]c2ccccc21
C[C@H]([NH2+]C1CC1)[C@H](C)Cc1cccc(Br)c1 C1CC1[*:1] C[C@H]([NH2+][*:1])[C@H](C)Cc1cccc(Br)c1
Cc1cc(CCC(=O)N2CCC[C@@H]2c2ccc[nH]2)ccc1Br c1c[nH]c(c1)[*:1] Cc1cc(ccc1Br)CCC(=O)N1CCC[C@H]1[*:1]
COc1cccc(OCC(=O)N(Cc2ccc(F)cc2)C2CC2)c1 Fc1ccc(cc1)C[*:1] COc1cccc(c1)OCC(=O)N(C1CC1)[*:1]
COc1cccc(OCC(=O)N(Cc2ccc(F)cc2)C2CC2)c1 COc1cccc(c1)[*:1] O=C(CO[*:1])N(Cc1ccc(F)cc1)C1CC1
COc1cccc(OCC(=O)N(Cc2ccc(F)cc2)C2CC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)OCC(=O)N(C[*:1])C1CC1
COc1cccc(OCC(=O)N(Cc2ccc(F)cc2)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)OCC(=O)N(Cc1ccc(F)cc1)[*:1]
CN(Cc1ccccc1)c1nc2nonc2nc1N1CCC[C@H](CN2CCCC2=O)C1 CN(Cc1ccccc1)[*:1] O=C1CCCN1C[C@H]1CCCN(C1)c1nc2nonc2nc1[*:1]
CN(Cc1ccccc1)c1nc2nonc2nc1N1CCC[C@H](CN2CCCC2=O)C1 O=C1CCCN1C[*:1] CN(Cc1ccccc1)c1nc2nonc2nc1N1CCC[C@H](C1)[*:1]
CN(Cc1ccccc1)c1nc2nonc2nc1N1CCC[C@H](CN2CCCC2=O)C1 O=C1CCCN1[*:1] CN(Cc1ccccc1)c1nc2nonc2nc1N1CCC[C@@H](C1)C[*:1]
CN(Cc1ccccc1)c1nc2nonc2nc1N1CCC[C@H](CN2CCCC2=O)C1 c1ccc(cc1)C[*:1] CN(c1nc2nonc2nc1N1CCC[C@H](CN2CCCC2=O)C1)[*:1]
CN(Cc1ccccc1)c1nc2nonc2nc1N1CCC[C@H](CN2CCCC2=O)C1 c1ccc(cc1)[*:1] CN(C[*:1])c1nc2nonc2nc1N1CCC[C@H](CN2CCCC2=O)C1
C[C@H](NC(=O)N[C@H](C)c1ccncc1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@H](NC(=O)N[C@H](C)c1ccncc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)N[C@H](C)c1ccncc1)c1ccc(N2CCCC2=O)cc1 C[C@H](c1ccncc1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)N1CCCC1=O
C[C@H](NC(=O)N[C@H](C)c1ccncc1)c1ccc(N2CCCC2=O)cc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])c1ccc(cc1)N1CCCC1=O
Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] Cc1cn(-c2nc(oc2-c2ccccc2)[*:1])c(=O)[nH]c1=O
Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] Cc1cn(-c2nc(oc2[*:1])-c2ccccc2)c(=O)[nH]c1=O
CSc1ccccc1NCC(=O)N(C)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1ccccc1NCC(=O)N(C)C[*:1]
CNC(=O)c1cc(OC)ccc1Br CNC(=O)[*:1] COc1ccc(Br)c(c1)[*:1]
CCCNc1cc(C)ccc1C(=O)N1CCCC[C@H]1CO CCC[*:1] Cc1ccc(C(=O)N2CCCC[C@H]2CO)c(c1)N[*:1]
CCCNc1cc(C)ccc1C(=O)N1CCCC[C@H]1CO CCCN[*:1] Cc1ccc(C(=O)N2CCCC[C@H]2CO)c(c1)[*:1]
Cc1c(NC(=O)N2CCc3cc(F)ccc3C2)cccc1N1CCOC1=O O=C1OCCN1[*:1] Cc1c(cccc1[*:1])NC(=O)N1CCc2cc(F)ccc2C1
CC[C@H](C(=O)N1CCC(S(=O)(=O)NC)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCC(CC1)S(=O)(=O)NC)[*:1]
CC[C@H](C(=O)N1CCC(S(=O)(=O)NC)CC1)c1ccccc1 CNS(=O)(=O)[*:1] CC[C@H](C(=O)N1CCC(CC1)[*:1])c1ccccc1
CCOC(=O)C1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3c2C)CC1 CCOC(=O)[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)N1CCC(CC1)[*:1]
C[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=N[C@H]12 c1cc2OCOc2cc1[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=N[C@H]12
COc1ccc(CC(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)NC(=O)C[*:1]
COc1ccc(CC(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)CC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
N#CCN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 Fc1cccc(c1)[*:1] N#CCN1CCC[C@H](C1)c1nc(no1)[*:1]
N#CCN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 N#CC[*:1] Fc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)[*:1]
C[C@H](O)C[C@H](C)C[NH2+][C@@H](c1ccccc1)C1CCCC1 C[C@H](O)[*:1] C[C@H](C[NH2+][C@@H](c1ccccc1)C1CCCC1)C[*:1]
C[C@H](O)C[C@H](C)C[NH2+][C@@H](c1ccccc1)C1CCCC1 C[C@H](O)C[*:1] C[C@H](C[NH2+][C@@H](c1ccccc1)C1CCCC1)[*:1]
C[C@H](O)C[C@H](C)C[NH2+][C@@H](c1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] C[C@H](O)C[C@H](C)C[NH2+][C@@H](C1CCCC1)[*:1]
C[C@H](O)C[C@H](C)C[NH2+][C@@H](c1ccccc1)C1CCCC1 C1CCC(C1)[*:1] C[C@H](O)C[C@H](C)C[NH2+][C@@H](c1ccccc1)[*:1]
CC[C@@H](NC(=O)Nc1cnn(CCOC)c1)c1cccs1 COC[*:1] CC[C@@H](NC(=O)Nc1cnn(c1)C[*:1])c1cccs1
CC[C@@H](NC(=O)Nc1cnn(CCOC)c1)c1cccs1 COCC[*:1] CC[C@@H](NC(=O)Nc1cnn(c1)[*:1])c1cccs1
CC[C@@H](NC(=O)Nc1cnn(CCOC)c1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)Nc1cnn(c1)CCOC)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)N(C)Cc1ncnn1C Cn1ncnc1[*:1] Cc1ccccc1[C@@H](C)NC(=O)N(C)C[*:1]
Cc1ccccc1[C@@H](C)NC(=O)N(C)Cc1ncnn1C Cc1ccccc1[*:1] C[C@@H](NC(=O)N(C)Cc1ncnn1C)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)N(C)Cc1ncnn1C Cn1ncnc1C[*:1] Cc1ccccc1[C@@H](C)NC(=O)N(C)[*:1]
CC(=O)NCCCNC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 CC(=O)NCCC[*:1] CC(C)(C)Cc1nc2cc(ccc2o1)NC(=O)N[*:1]
CC(=O)NCCCNC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 CC(=O)N[*:1] CC(C)(C)Cc1nc2cc(ccc2o1)NC(=O)NCCC[*:1]
CC(=O)NCCCNC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 CC(C)(C)[*:1] CC(=O)NCCCNC(=O)Nc1ccc2oc(C[*:1])nc2c1
CC(=O)NCCCNC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 CC(=O)NCC[*:1] CC(C)(C)Cc1nc2cc(ccc2o1)NC(=O)NC[*:1]
CC(=O)NCCCNC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 CC(C)(C)C[*:1] CC(=O)NCCCNC(=O)Nc1ccc2oc(nc2c1)[*:1]
CC(=O)NCCCNC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 CC(=O)NC[*:1] CC(C)(C)Cc1nc2cc(ccc2o1)NC(=O)NCC[*:1]
C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1N(C)C Fc1ccc(cc1)C[*:1] C[C@@H]([NH2+]C1CCN(CC1)[*:1])c1ccccc1N(C)C
C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1N(C)C CN(C)[*:1] C[C@@H]([NH2+]C1CCN(CC1)Cc1ccc(F)cc1)c1ccccc1[*:1]
C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1N(C)C Fc1ccc(cc1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C[*:1])c1ccccc1N(C)C
COC(=O)c1cc(NC(=O)N(C)CC(C)(C)O)ccc1C CC(C)(O)[*:1] COC(=O)c1cc(ccc1C)NC(=O)N(C)C[*:1]
COC(=O)c1cc(NC(=O)N(C)CC(C)(C)O)ccc1C CC(C)(O)C[*:1] COC(=O)c1cc(ccc1C)NC(=O)N(C)[*:1]
COC(=O)c1cc(NC(=O)N(C)CC(C)(C)O)ccc1C COC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N(C)CC(C)(C)O
CCCN(CC(C)(C)C[NH3+])C(=O)N1CCC[C@H](C)C1 CCC[*:1] C[C@H]1CCCN(C1)C(=O)N(CC(C)(C)C[NH3+])[*:1]
CC[C@H](C)N(CC)c1cc([C@H](C)O)cc[nH+]1 CC[C@H](C)[*:1] CCN(c1cc(cc[nH+]1)[C@H](C)O)[*:1]
CC[C@H](C)N(CC)c1cc([C@H](C)O)cc[nH+]1 C[C@H](O)[*:1] CC[C@H](C)N(CC)c1cc(cc[nH+]1)[*:1]
O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1cccc2nsnc12 c1cc(c2nsnc2c1)[*:1] O=C(CSc1nnc(o1)-c1ccc2ccccc2c1)N[*:1]
COc1ccccc1Oc1c(C)oc2cc(OC(=O)[C@@H](C)Cl)ccc2c1=O COc1ccccc1O[*:1] Cc1oc2cc(ccc2c(=O)c1[*:1])OC(=O)[C@@H](C)Cl
COc1ccccc1Oc1c(C)oc2cc(OC(=O)[C@@H](C)Cl)ccc2c1=O COc1ccccc1[*:1] Cc1oc2cc(ccc2c(=O)c1O[*:1])OC(=O)[C@@H](C)Cl
CC(=O)Nc1ccc(Nc2ncnc(Oc3ccc(C)c(C)c3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1C)O[*:1] CC(=O)Nc1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
CC(=O)Nc1ccc(Nc2ncnc(Oc3ccc(C)c(C)c3)c2[N+](=O)[O-])cc1 CC(=O)N[*:1] Cc1ccc(cc1C)Oc1ncnc(Nc2ccc(cc2)[*:1])c1[N+](=O)[O-]
CC(=O)Nc1ccc(Nc2ncnc(Oc3ccc(C)c(C)c3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1C)[*:1] CC(=O)Nc1ccc(cc1)Nc1ncnc(O[*:1])c1[N+](=O)[O-]
CC(=O)Nc1ccc(Nc2ncnc(Oc3ccc(C)c(C)c3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)Nc1ncnc(Oc2ccc(C)c(C)c2)c1[*:1]
CC[NH+]1CCN(CC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)CC(=O)NCCc1cccc(c1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccc(NC(=O)c3cccs3)cc2C1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)[C@H]1COc2ccc(cc2C1)NC(=O)c1cccs1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccc(NC(=O)c3cccs3)cc2C1 c1csc(c1)[*:1] C[C@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccc(cc2C1)NC(=O)[*:1]
C[C@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccc(NC(=O)c3cccs3)cc2C1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)[C@H]1COc2ccc(cc2C1)NC(=O)c1cccs1
C[C@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccc(NC(=O)c3cccs3)cc2C1 O=C(N[*:1])c1cccs1 C[C@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccc(cc2C1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccc(NC(=O)c3cccs3)cc2C1 C[C@H](CCc1ccccc1)[*:1] O=C(Nc1ccc2OC[C@@H](Cc2c1)C(=O)N[*:1])c1cccs1
C[C@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccc(NC(=O)c3cccs3)cc2C1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)[C@H]1COc2ccc(cc2C1)NC(=O)c1cccs1
COc1ccc(C2=NO[C@@H]([C@H]3C=C(c4ccc(F)cc4)N=N3)N2)cc1 COc1ccc(cc1)[*:1] Fc1ccc(cc1)C1=C[C@@H](N=N1)[C@H]1NC(=NO1)[*:1]
COc1ccc(C2=NO[C@@H]([C@H]3C=C(c4ccc(F)cc4)N=N3)N2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C1=NO[C@H](N1)[C@H]1C=C(N=N1)[*:1]
Cc1ccc(CN(C)C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1
Cc1ccc(CN(C)C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 CN(C(=O)[*:1])C1CCCCC1 Cc1ccc(cc1)CN(C)C(=O)c1ccccc1SC[*:1]
Cc1ccc(CN(C)C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 Cc1ccc(cc1)C[*:1] CN(C(=O)CSc1ccccc1C(=O)N(C)[*:1])C1CCCCC1
Cc1ccc(CN(C)C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)CN(C)C(=O)c1ccccc1SCC(=O)N(C)[*:1]
O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccco1)N[*:1]
O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1cc(Cl)ccc1Cl c1coc(c1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1cc(Cl)ccc1Cl
Cc1ccc(CNC(=O)N(C)[C@@H](C)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)NC[*:1]
Cc1ccc(CNC(=O)N(C)[C@@H](C)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)N(C)[C@@H](C)[*:1]
O=C(c1ccc([O-])nn1)N1CCC[C@H]1C1CCCC1 C1CCC(C1)[*:1] O=C(c1ccc([O-])nn1)N1CCC[C@@H]1[*:1]
C[C@H](O)[C@H](C)[NH2+]CC(=O)NC1CC1 C[C@H](O)[*:1] C[C@H]([NH2+]CC(=O)NC1CC1)[*:1]
C[C@H](O)[C@H](C)[NH2+]CC(=O)NC1CC1 C1CC1[*:1] C[C@H](O)[C@H](C)[NH2+]CC(=O)N[*:1]
O=C(Cc1ccc[nH]1)NCCC(=O)N1CCCCC1 c1c[nH]c(c1)C[*:1] O=C(CCNC(=O)[*:1])N1CCCCC1
O=C(Cc1ccc[nH]1)NCCC(=O)N1CCCCC1 c1c[nH]c(c1)[*:1] O=C(C[*:1])NCCC(=O)N1CCCCC1
CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CC[NH+](CCC(N)=O)C2 C1CCC(C1)[*:1] CC(C)Cn1nc(C(=O)N[*:1])c2C[NH+](CCC(N)=O)CCc21
CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CC[NH+](CCC(N)=O)C2 CC(C)[*:1] NC(=O)CC[NH+]1CCc2c(C1)c(nn2C[*:1])C(=O)NC1CCCC1
CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CC[NH+](CCC(N)=O)C2 NC(=O)[*:1] CC(C)Cn1nc(C(=O)NC2CCCC2)c2C[NH+](CCc21)CC[*:1]
CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CC[NH+](CCC(N)=O)C2 NC(=O)CC[*:1] CC(C)Cn1nc(C(=O)NC2CCCC2)c2C[NH+](CCc21)[*:1]
CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CC[NH+](CCC(N)=O)C2 CC(C)C[*:1] NC(=O)CC[NH+]1CCc2c(C1)c(nn2[*:1])C(=O)NC1CCCC1
CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CC[NH+](CCC(N)=O)C2 O=C(NC1CCCC1)[*:1] CC(C)Cn1nc(c2C[NH+](CCC(N)=O)CCc21)[*:1]
CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CC[NH+](CCC(N)=O)C2 NC(=O)C[*:1] CC(C)Cn1nc(C(=O)NC2CCCC2)c2C[NH+](CCc21)C[*:1]
O=C(Cl)[C@H](Cl)c1ccccc1 O=C(Cl)[*:1] Cl[C@H](c1ccccc1)[*:1]
C=CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C C=CCNC(=O)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(F)cc1
C=CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C Fc1ccc(cc1)[*:1] C=CCNC(=O)c1cc(ccc1C)S(=O)(=O)N[*:1]
C=CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C C=CC[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)Nc1ccc(F)cc1
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C C[C@@H](CCC(=O)[O-])[*:1] C[C@]12CC[C@@H](O)C[C@H]1C[C@@H](O)[C@@H]1[C@@H]3CC[C@@H]([C@@]3(C)CC[C@H]12)[*:1]
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C O=C([O-])[*:1] C[C@@H](CC[*:1])[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C O=C([O-])C[*:1] C[C@@H](C[*:1])[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C O=C([O-])CC[*:1] C[C@@H]([C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)[*:1]
CC(=O)N/N=C/c1ccc(O[C@H](C)C(=O)[O-])cc1 C[C@@H](O[*:1])C(=O)[O-] CC(=O)N/N=C/c1ccc(cc1)[*:1]
CC(=O)N/N=C/c1ccc(O[C@H](C)C(=O)[O-])cc1 CC(=O)NN=C[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)[O-]
CC(=O)N/N=C/c1ccc(O[C@H](C)C(=O)[O-])cc1 O=C([O-])[*:1] CC(=O)N/N=C/c1ccc(cc1)O[C@H](C)[*:1]
CC(C)c1ccc(NC(=O)c2n[nH]c(C(C)C)n2)cc1 CC(C)[*:1] CC(C)c1nc(n[nH]1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)c2n[nH]c(C(C)C)n2)cc1 CC(C)[*:1] CC(C)c1ccc(cc1)NC(=O)c1n[nH]c(n1)[*:1]
Cc1cc2ncn(CCC(=O)NN)c2cc1C NNC(=O)[*:1] Cc1cc2ncn(CC[*:1])c2cc1C
Cc1cc2ncn(CCC(=O)NN)c2cc1C NNC(=O)C[*:1] Cc1cc2ncn(C[*:1])c2cc1C
Cc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl Clc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)N1C(=O)N(C[*:1])[C@@H]2CS(=O)(=O)C[C@H]21
Cc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl Clc1ccc(cc1)C[*:1] Cc1ccc(cc1Cl)N1C(=O)N([C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
Cc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C1N(Cc2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)C2 FC(F)(F)[*:1] C=CCn1nc(C(=O)N2CCCC2)c2C[C@@H](CCc21)NCc1cc(F)cc(c1)[*:1]
C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)C2 C=CC[*:1] O=C(c1nn(c2CC[C@H](Cc12)NCc1cc(F)cc(c1)C(F)(F)F)[*:1])N1CCCC1
C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)C2 O=C(N1CCCC1)[*:1] C=CCn1nc(c2C[C@@H](CCc21)NCc1cc(F)cc(c1)C(F)(F)F)[*:1]
O=C(N[C@H]1CCSc2ccc(F)cc21)C1CCC1 C1CC(C1)[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)[*:1]
CC1(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)Cc2ccccc2C1 c1cnc(nc1)[*:1] CC1(Cc2ccccc2C1)NC(=O)NCCC[NH+]1CCN(CC1)[*:1]
CC(C)(C)Oc1ccc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)cc1 CC(C)(C)O[*:1] O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1ccc(cc1)[*:1]
CC(C)(C)Oc1ccc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)cc1 CC(C)(C)[*:1] O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1ccc(cc1)O[*:1]
CC(C)(C)Oc1ccc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)cc1 c1ccc2[nH]c(cc2c1)[*:1] CC(C)(C)Oc1ccc(cc1)NC(=O)CNC(=O)[*:1]
CCC[NH+](CCOCC)C1CCC([NH3+])CC1 CCC[*:1] CCOCC[NH+](C1CCC([NH3+])CC1)[*:1]
CCC[NH+](CCOCC)C1CCC([NH3+])CC1 CCOCC[*:1] CCC[NH+](C1CCC([NH3+])CC1)[*:1]
CCC[NH+](CCOCC)C1CCC([NH3+])CC1 CCO[*:1] CCC[NH+](CC[*:1])C1CCC([NH3+])CC1
CCC[NH+](CCOCC)C1CCC([NH3+])CC1 CCOC[*:1] CCC[NH+](C[*:1])C1CCC([NH3+])CC1
C#CCNC(=O)NCCOc1cccc(C)c1 C#CC[*:1] Cc1cccc(c1)OCCNC(=O)N[*:1]
Cc1cc(C(=O)N2CCC(c3nnsc3-c3cc(C)no3)CC2)on1 Cc1cc(on1)[*:1] Cc1cc(on1)-c1snnc1C1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCC(c3nnsc3-c3cc(C)no3)CC2)on1 Cc1cc(on1)[*:1] Cc1cc(on1)C(=O)N1CCC(CC1)c1nnsc1[*:1]
CCOc1cc(/C=C2\S/C(=N/c3ccc(OC)cc3)NC2=O)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] CCOc1cc(/C=C2\S/C(=N/c3ccc(cc3)OC)NC2=O)cc(c1O)[*:1]
CCOc1cc(/C=C2\S/C(=N/c3ccc(OC)cc3)NC2=O)cc([N+](=O)[O-])c1O CCO[*:1] COc1ccc(cc1)/N=C1\NC(=O)/C(=C/c2cc(c(O)c(c2)[*:1])[N+](=O)[O-])S1
CCOc1cc(/C=C2\S/C(=N/c3ccc(OC)cc3)NC2=O)cc([N+](=O)[O-])c1O COc1ccc(cc1)[*:1] CCOc1cc(/C=C2\SC(=N[*:1])NC2=O)cc(c1O)[N+](=O)[O-]
Cc1ccccc1N1CCN(S(=O)(=O)CCC2CC2)CC1 C1CC1CC[*:1] Cc1ccccc1N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccccc1N1CCN(S(=O)(=O)CCC2CC2)CC1 Cc1ccccc1[*:1] O=S(=O)(CCC1CC1)N1CCN(CC1)[*:1]
Cc1ccccc1N1CCN(S(=O)(=O)CCC2CC2)CC1 C1CC1C[*:1] Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[*:1]
Cc1ccccc1N1CCN(S(=O)(=O)CCC2CC2)CC1 C1CC1[*:1] Cc1ccccc1N1CCN(CC1)S(=O)(=O)CC[*:1]
CC(C)Cc1cc(C(=O)NCC(C)(C)C[C@H](C)O)[nH]n1 C[C@H](O)[*:1] CC(C)Cc1cc([nH]n1)C(=O)NCC(C)(C)C[*:1]
CC(C)Cc1cc(C(=O)NCC(C)(C)C[C@H](C)O)[nH]n1 C[C@H](O)C[*:1] CC(C)Cc1cc([nH]n1)C(=O)NCC(C)(C)[*:1]
CC(C)Cc1cc(C(=O)NCC(C)(C)C[C@H](C)O)[nH]n1 CC(C)C[*:1] C[C@H](O)CC(C)(C)CNC(=O)c1cc(n[nH]1)[*:1]
CC(C)Cc1cc(C(=O)NCC(C)(C)C[C@H](C)O)[nH]n1 CC(C)[*:1] C[C@H](O)CC(C)(C)CNC(=O)c1cc(C[*:1])n[nH]1
Cc1csc(SCc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)n1 Cc1csc(n1)S[*:1] NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C[*:1]
Cc1csc(SCc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)n1 Cc1csc(n1)SC[*:1] NC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
Cc1csc(SCc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)n1 NC(=O)[*:1] Cc1csc(n1)SCc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
Cc1csc(SCc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)n1 Cc1csc(n1)[*:1] NC(=O)c1ccccc1NC(=O)c1ccc(cc1)CS[*:1]
C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)[*:1] C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(c1)O[*:1]
COc1cccc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1 COc1cccc(c1)[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)C(=O)NNC(=O)[*:1]
COc1cccc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)C(=O)NNC(=O)[C@H]1CC(C)=C(C)C[C@H]1[*:1]
CCC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](N2CC[NH+](C)CC2)C1 CCC[*:1] C[NH+]1CCN(CC1)[C@@H]1CC[C@@](C1)([NH2+][*:1])C(=O)[O-]
CCC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](N2CC[NH+](C)CC2)C1 O=C([O-])[*:1] CCC[NH2+][C@]1(CC[C@H](C1)N1CC[NH+](C)CC1)[*:1]
CC[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccccc1Br CC(C)(C)[*:1] CC[C@H](NCCS(=O)(=O)[*:1])c1ccccc1Br
C[C@H](Oc1ccccc1)C(=O)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](Oc1ccccc1)C(=O)n1nc(nc1NC[*:1])-c1ccco1
C[C@H](Oc1ccccc1)C(=O)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1 c1coc(c1)[*:1] C[C@H](Oc1ccccc1)C(=O)n1nc(nc1NCc1ccc(Cl)cc1)[*:1]
C[C@H](Oc1ccccc1)C(=O)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)n1nc(nc1NCc1ccc(Cl)cc1)-c1ccco1
C[C@H](Oc1ccccc1)C(=O)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@H](Oc1ccccc1)C(=O)n1nc(nc1N[*:1])-c1ccco1
C[C@H](Oc1ccccc1)C(=O)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1 c1ccc(cc1)O[*:1] C[C@H](C(=O)n1nc(nc1NCc1ccc(Cl)cc1)-c1ccco1)[*:1]
C[C@H](Oc1ccccc1)C(=O)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1 Clc1ccc(cc1)CN[*:1] C[C@H](Oc1ccccc1)C(=O)n1nc(nc1[*:1])-c1ccco1
CC(C)(C#N)[C@]1(O)CCc2ccccc2C1 CC(C)(C#N)[*:1] O[C@@]1(CCc2ccccc2C1)[*:1]
Cc1[nH]c(S[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)nc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(nc1C[*:1])S[C@H](C)C(=O)Nc1sc2CCCc2c1C(N)=O
Cc1[nH]c(S[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)nc1Cc1ccccc1 NC(=O)[*:1] Cc1[nH]c(nc1Cc1ccccc1)S[C@H](C)C(=O)Nc1sc2CCCc2c1[*:1]
Cc1[nH]c(S[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)nc1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH]c(nc1[*:1])S[C@H](C)C(=O)Nc1sc2CCCc2c1C(N)=O
CC(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 c1ccc(cc1)[*:1] CC(=O)NC1CC[NH+](CC1)Cc1ccc(o1)[*:1]
CC(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 CC(=O)N[*:1] c1ccc(cc1)-c1ccc(C[NH+]2CCC(CC2)[*:1])o1
CCOC(=O)[C@@](O)(CC)[C@H]1CCCC(C)(C)CC1 CCOC(=O)[*:1] CC[C@](O)([C@H]1CCCC(C)(C)CC1)[*:1]
CCCOc1ncnc(Oc2cc(C)ccc2C)c1N CCCO[*:1] Cc1ccc(C)c(c1)Oc1ncnc(c1N)[*:1]
CCCOc1ncnc(Oc2cc(C)ccc2C)c1N CCC[*:1] Cc1ccc(C)c(c1)Oc1ncnc(O[*:1])c1N
CCOc1ccc(N(C)C(=O)c2ccc(F)cc2O)cc1 CCO[*:1] CN(C(=O)c1ccc(F)cc1O)c1ccc(cc1)[*:1]
CCOc1ncccc1CNC(=O)Nc1cccc(CC)c1 CCO[*:1] CCc1cccc(c1)NC(=O)NCc1cccnc1[*:1]
Cc1nc(CN2CCN(Cc3cnc4ncccn34)CC2)no1 Cc1nc(no1)[*:1] c1cnc2ncc(CN3CCN(CC3)C[*:1])n2c1
Cc1nc(CN2CCN(Cc3cnc4ncccn34)CC2)no1 Cc1nc(C[*:1])no1 c1cnc2ncc(CN3CCN(CC3)[*:1])n2c1
CNC(=O)c1cn[nH]c1[C@]1(C)CCCN(C(=O)Cn2cccn2)C1 c1cnn(c1)[*:1] CNC(=O)c1cn[nH]c1[C@]1(C)CCCN(C1)C(=O)C[*:1]
CNC(=O)c1cn[nH]c1[C@]1(C)CCCN(C(=O)Cn2cccn2)C1 CNC(=O)[*:1] C[C@]1(CCCN(C1)C(=O)Cn1cccn1)c1[nH]ncc1[*:1]
CNC(=O)c1cn[nH]c1[C@]1(C)CCCN(C(=O)Cn2cccn2)C1 c1cnn(c1)C[*:1] CNC(=O)c1cn[nH]c1[C@]1(C)CCCN(C1)C(=O)[*:1]
Cc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])c(C)s1 Cc1cc(c(C)s1)[*:1] O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)[*:1]
Cc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])c(C)s1 O=C([O-])[*:1] Cc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2[*:1])c(C)s1
Cc1nnnn1-c1cccc(NC(=O)NC[C@](C)(O)c2ccsc2)c1 c1cc(cs1)[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)NC[C@](C)(O)[*:1]
Cc1nnnn1-c1cccc(NC(=O)NC[C@](C)(O)c2ccsc2)c1 Cc1nnnn1[*:1] C[C@](O)(CNC(=O)Nc1cccc(c1)[*:1])c1ccsc1
O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CNc1cccc(Cl)c1 Clc1cccc(c1)N[*:1] O=C1S/C(=C\c2ccc3OCOc3c2)C(=O)N1C[*:1]
O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CNc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1S/C(=C\c2ccc3OCOc3c2)C(=O)N1CN[*:1]
C=CC[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 CCO[*:1] C=CC[NH2+]Cc1cc(Br)c(OC)c(c1)[*:1]
Oc1cccc(-c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)c1 Oc1cccc(c1)[*:1] C1C[C@@H]2CO[C@H](CN2C1)c1noc(n1)[*:1]
O=C([O-])[C@@H]1CC[C@@H](CNC(=O)N2CC[NH2+]CC2)O1 O=C([O-])[*:1] O=C(NC[C@@H]1CC[C@H](O1)[*:1])N1CC[NH2+]CC1
CCCc1cc(NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)n(C)n1 CCC[*:1] CC[C@@H](NC(=O)Nc1cc(nn1C)[*:1])c1cccc(c1)[N+](=O)[O-]
CCCc1cc(NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)n(C)n1 O=[N+]([O-])[*:1] CCCc1cc(NC(=O)N[C@H](CC)c2cccc(c2)[*:1])n(C)n1
CCCOc1ccc(CCC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 CCCO[*:1] O=C(CCc1ccc(cc1)[*:1])N1CCC[C@@H](C1)[NH+]1CCCC1
CCCOc1ccc(CCC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 CCC[*:1] O=C(CCc1ccc(cc1)O[*:1])N1CCC[C@@H](C1)[NH+]1CCCC1
CCC(=O)Nc1ccc(C(=O)CSc2ccc(F)cc2)cc1 CCC(=O)N[*:1] O=C(CSc1ccc(F)cc1)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(C(=O)CSc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)C(=O)CS[*:1]
Cc1cc(NC(=O)CSCC(=O)O[C@H]2C[C@@H](C)CC(C)(C)C2)no1 Cc1cc(no1)[*:1] C[C@@H]1C[C@@H](CC(C)(C)C1)OC(=O)CSCC(=O)N[*:1]
O=C(NCc1cccc(Cl)c1)c1cn(-c2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] O=C(NCc1cccc(Cl)c1)c1cn(nc1[*:1])-c1ccccc1
O=C(NCc1cccc(Cl)c1)c1cn(-c2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] O=C(NCc1cccc(Cl)c1)c1cn(nc1-c1cccnc1)[*:1]
O=C(NCc1cccc(Cl)c1)c1cn(-c2ccccc2)nc1-c1cccnc1 Clc1cccc(c1)[*:1] O=C(NC[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
O=C(NCc1cccc(Cl)c1)c1cn(-c2ccccc2)nc1-c1cccnc1 Clc1cccc(c1)C[*:1] O=C(N[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
CN(C[C@H]1CC=C(c2ccc(Cl)cc2)O1)C(=O)CSc1nc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] CN(C[C@H]1CC=C(O1)c1ccc(Cl)cc1)C(=O)CSc1nc(n[nH]1)[*:1]
CN(C[C@H]1CC=C(c2ccc(Cl)cc2)O1)C(=O)CSc1nc(-c2cccs2)n[nH]1 Clc1ccc(cc1)[*:1] CN(C[C@H]1CC=C(O1)[*:1])C(=O)CSc1nc(n[nH]1)-c1cccs1
Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CC[C@@H](OCCC(C)C)C2)c1 CC(C)CCO[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)C(=O)N1CC[C@@H](C1)[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CC[C@@H](OCCC(C)C)C2)c1 CC(C)C[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)C(=O)N1CC[C@H](C1)OC[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CC[C@@H](OCCC(C)C)C2)c1 CC(C)CC[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)C(=O)N1CC[C@H](C1)O[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CC[C@@H](OCCC(C)C)C2)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)C(=O)N1CC[C@H](C1)OCC[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CC[C@@H](OCCC(C)C)C2)c1 Cc1cccc(c1)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)[C@H](C)NC(=O)[*:1]
CCOC(=O)[C@@H](NC(=O)c1nccn2ccnc12)[C@H](C)CC CC[C@@H](C)[*:1] CCOC(=O)[C@@H](NC(=O)c1nccn2ccnc12)[*:1]
CCOC(=O)[C@@H](NC(=O)c1nccn2ccnc12)[C@H](C)CC CCOC(=O)[*:1] CC[C@@H](C)[C@H](NC(=O)c1nccn2ccnc12)[*:1]
C=CCNC(=O)CN1CCN(c2nccn3cnnc23)CC1 C=CCNC(=O)[*:1] c1cn2cnnc2c(n1)N1CCN(CC1)C[*:1]
C=CCNC(=O)CN1CCN(c2nccn3cnnc23)CC1 C=CCNC(=O)C[*:1] c1cn2cnnc2c(n1)N1CCN(CC1)[*:1]
C=CCNC(=O)CN1CCN(c2nccn3cnnc23)CC1 C=CC[*:1] O=C(CN1CCN(CC1)c1nccn2cnnc12)N[*:1]
Cc1occc1-c1nnc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 Cc1occc1[*:1] O=C(CCc1nnc(o1)[*:1])N[C@@H]1CCS(=O)(=O)C1
Cc1occc1-c1nnc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 O=S1(=O)CC[C@H](C1)[*:1] Cc1occc1-c1nnc(CCC(=O)N[*:1])o1
CCCn1cc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)cn1 CCCn1cc(cn1)[*:1] O=C(N[*:1])C1(CCOCC1)c1ccc(F)cc1F
CCCn1cc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)cn1 Fc1ccc(c(F)c1)[*:1] CCCn1cc(cn1)NC(=O)C1(CCOCC1)[*:1]
CCCn1cc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)cn1 CCC[*:1] O=C(Nc1cnn(c1)[*:1])C1(CCOCC1)c1ccc(F)cc1F
O=C([C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)c1nc(Cl)nc2[nH]cnc12)N1CCN(CC1)[*:1]
CCCN1CCO[C@@H]([C@H]([NH3+])Cc2cccc(Cl)c2)C1 CCC[*:1] [NH3+][C@H](Cc1cccc(Cl)c1)[C@H]1CN(CCO1)[*:1]
NC(=O)c1cccc(CSc2ccc(N)cc2Cl)c1 NC(=O)[*:1] Nc1ccc(SCc2cccc(c2)[*:1])c(Cl)c1
CCN(C1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1)S(C)(=O)=O c1ccc(cc1)[*:1] CCN(C1CCN(CC1)C(=O)c1cn(C[*:1])nc1-c1ccccc1)S(C)(=O)=O
CCN(C1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1)S(C)(=O)=O c1ccc(cc1)C[*:1] CCN(C1CCN(CC1)C(=O)c1cn(nc1-c1ccccc1)[*:1])S(C)(=O)=O
CCN(C1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCC(CC1)[*:1]
CCN(C1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1)S(C)(=O)=O c1ccc(cc1)[*:1] CCN(C1CCN(CC1)C(=O)c1cn(Cc2ccccc2)nc1[*:1])S(C)(=O)=O
Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc([C@@H]3CCCO3)nc21 Cc1ccc(Cl)cc1[*:1] c1nn(c2ncn3nc(nc3c12)[C@@H]1CCCO1)[*:1]
Cc1cc(NC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)n(C)n1 CC(C)[*:1] Cc1cc(NC(=O)NCc2ccc(cc2)NC(=O)N[*:1])n(C)n1
Cc1cc(NC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)n(C)n1 Cc1cc(n(C)n1)[*:1] CC(C)NC(=O)Nc1ccc(cc1)CNC(=O)N[*:1]
Cc1cc(NC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)n(C)n1 CC(C)NC(=O)N[*:1] Cc1cc(NC(=O)NCc2ccc(cc2)[*:1])n(C)n1
CCOCCCNC(=O)C1CCN(c2ccccc2)CC1 CCOCCC[*:1] O=C(N[*:1])C1CCN(CC1)c1ccccc1
CCOCCCNC(=O)C1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOCCCNC(=O)C1CCN(CC1)[*:1]
CCOCCCNC(=O)C1CCN(c2ccccc2)CC1 CCO[*:1] O=C(NCCC[*:1])C1CCN(CC1)c1ccccc1
CCOCCCNC(=O)C1CCN(c2ccccc2)CC1 CCOCC[*:1] O=C(NC[*:1])C1CCN(CC1)c1ccccc1
CCOCCCNC(=O)C1CCN(c2ccccc2)CC1 CCOC[*:1] O=C(NCC[*:1])C1CCN(CC1)c1ccccc1
CC(C)OCCOC(=O)Nc1cccc(N)c1 CC(C)[*:1] Nc1cccc(c1)NC(=O)OCCO[*:1]
CC(C)OCCOC(=O)Nc1cccc(N)c1 CC(C)OC[*:1] Nc1cccc(c1)NC(=O)OC[*:1]
CC(C)OCCOC(=O)Nc1cccc(N)c1 CC(C)O[*:1] Nc1cccc(c1)NC(=O)OCC[*:1]
CCN(CC)C(=O)Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 Clc1ccc(cc1)[*:1] CCN(CC)C(=O)Cc1cn(C[*:1])c2ccccc12
CCN(CC)C(=O)Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 CCN(CC)C(=O)C[*:1] Clc1ccc(cc1)Cn1cc(c2ccccc21)[*:1]
CCN(CC)C(=O)Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 CCN(CC)C(=O)[*:1] Clc1ccc(cc1)Cn1cc(C[*:1])c2ccccc21
CCN(CC)C(=O)Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 Clc1ccc(cc1)C[*:1] CCN(CC)C(=O)Cc1cn(c2ccccc12)[*:1]
COc1cccc([C@H]2CC(c3ccccc3)=Nc3c(C(=O)Nc4ccccc4)cnn32)c1OC c1ccc(cc1)[*:1] COc1cccc(c1OC)[C@H]1CC(=Nc2c(cnn21)C(=O)N[*:1])c1ccccc1
COc1cccc([C@H]2CC(c3ccccc3)=Nc3c(C(=O)Nc4ccccc4)cnn32)c1OC c1ccc(cc1)[*:1] COc1cccc(c1OC)[C@H]1CC(=Nc2c(cnn21)C(=O)Nc1ccccc1)[*:1]
COc1cccc([C@H]2CC(c3ccccc3)=Nc3c(C(=O)Nc4ccccc4)cnn32)c1OC COc1cccc(c1OC)[*:1] O=C(Nc1ccccc1)c1cnn2c1N=C(C[C@@H]2[*:1])c1ccccc1
COc1cccc([C@H]2CC(c3ccccc3)=Nc3c(C(=O)Nc4ccccc4)cnn32)c1OC O=C(Nc1ccccc1)[*:1] COc1cccc(c1OC)[C@H]1CC(=Nc2c(cnn21)[*:1])c1ccccc1
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccncc1 CC[S@](=O)[*:1] C[C@H](NC(=O)N[C@H]1CCCC[C@H]1[*:1])c1ccncc1
Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)/C=C/c1ccc(o1)-c1ccccc1[*:1]
Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)/C=C/c1ccc(o1)-c1ccccc1[N+](=O)[O-]
Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)/C=C/c1ccc(o1)[*:1]
O=C([O-])COCC(=O)Nc1ccc2c(c1)CCCC2 O=C([O-])CO[*:1] O=C(C[*:1])Nc1ccc2CCCCc2c1
O=C([O-])COCC(=O)Nc1ccc2c(c1)CCCC2 O=C([O-])C[*:1] O=C(CO[*:1])Nc1ccc2CCCCc2c1
O=C([O-])COCC(=O)Nc1ccc2c(c1)CCCC2 O=C([O-])[*:1] O=C(COC[*:1])Nc1ccc2CCCCc2c1
O=C([O-])COCC(=O)Nc1ccc2c(c1)CCCC2 O=C([O-])COC[*:1] O=C(Nc1ccc2CCCCc2c1)[*:1]
Cc1cccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N2CCN(Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)N1C(=O)[C@@H](Cc2ccccc2)N=C1N1CCN(CC1)[*:1]
Cc1cccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N2CCN(Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N1C(=O)[C@@H](C[*:1])N=C1N1CCN(CC1)Cc1ccccc1
Cc1cccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N2CCN(Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N1C(=O)[C@@H](Cc2ccccc2)N=C1N1CCN(CC1)C[*:1]
Cc1cccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N2CCN(Cc3ccccc3)CC2)c1 Cc1cccc(c1)[*:1] O=C1[C@@H](Cc2ccccc2)N=C(N2CCN(CC2)Cc2ccccc2)N1[*:1]
Cc1cccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N2CCN(Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)N1C(=O)[C@@H](N=C1N1CCN(CC1)Cc1ccccc1)[*:1]
CCOc1cccc(CN2CCc3ccccc3[C@H]2CO)c1OC(F)F FC(F)O[*:1] CCOc1cccc(CN2CCc3ccccc3[C@H]2CO)c1[*:1]
CCOc1cccc(CN2CCc3ccccc3[C@H]2CO)c1OC(F)F CCO[*:1] OC[C@@H]1c2ccccc2CCN1Cc1cccc(c1OC(F)F)[*:1]
CCOc1cccc(CN2CCc3ccccc3[C@H]2CO)c1OC(F)F FC(F)[*:1] CCOc1cccc(CN2CCc3ccccc3[C@H]2CO)c1O[*:1]
C[C@@H](c1ccc(F)cc1F)N1CCN(c2nccnc2N)CC1 Nc1nccnc1[*:1] C[C@@H](c1ccc(F)cc1F)N1CCN(CC1)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)/N=C(\[O-])CN(C)C(=O)c2cccs2)c1C c1csc(c1)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)/N=C(\[O-])CN(C)C(=O)[*:1]
CC(C)[C@H](NC(=O)COc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 CC(C)[*:1] N#Cc1ccc(cc1)OCC(=O)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)[C@H](NC(=O)COc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 N#Cc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)CO[*:1])c1nc2ccccc2[nH]1
CCCN(CCC)C(=O)NCc1ccc(C)cc1N(C)C CN(C)[*:1] CCCN(CCC)C(=O)NCc1ccc(C)cc1[*:1]
CCCN(CCC)C(=O)NCc1ccc(C)cc1N(C)C CCC[*:1] CCCN(C(=O)NCc1ccc(C)cc1N(C)C)[*:1]
C#CCNC(=O)c1ccc(NC[C@@H](C)Oc2cccc(F)c2)nc1 C#CC[*:1] C[C@H](CNc1ccc(cn1)C(=O)N[*:1])Oc1cccc(F)c1
C#CCNC(=O)c1ccc(NC[C@@H](C)Oc2cccc(F)c2)nc1 Fc1cccc(c1)O[*:1] C#CCNC(=O)c1ccc(nc1)NC[C@@H](C)[*:1]
C#CCNC(=O)c1ccc(NC[C@@H](C)Oc2cccc(F)c2)nc1 Fc1cccc(c1)[*:1] C#CCNC(=O)c1ccc(nc1)NC[C@@H](C)O[*:1]
C#CCNC(=O)c1ccc(NC[C@@H](C)Oc2cccc(F)c2)nc1 C#CCNC(=O)[*:1] C[C@H](CNc1ccc(cn1)[*:1])Oc1cccc(F)c1
CC(C)NC(=O)c1ccc(NCC(=O)NCc2ccccc2F)cc1 Fc1ccccc1[*:1] CC(C)NC(=O)c1ccc(cc1)NCC(=O)NC[*:1]
CC(C)NC(=O)c1ccc(NCC(=O)NCc2ccccc2F)cc1 CC(C)NC(=O)[*:1] O=C(CNc1ccc(cc1)[*:1])NCc1ccccc1F
CC(C)NC(=O)c1ccc(NCC(=O)NCc2ccccc2F)cc1 Fc1ccccc1C[*:1] CC(C)NC(=O)c1ccc(cc1)NCC(=O)N[*:1]
CC(C)NC(=O)c1ccc(NCC(=O)NCc2ccccc2F)cc1 CC(C)[*:1] O=C(CNc1ccc(cc1)C(=O)N[*:1])NCc1ccccc1F
CSc1ccc(CNC(=O)C2CCN(C(=O)c3ccnc(-c4ccccc4)c3)CC2)cc1 CSc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1ccnc(c1)-c1ccccc1
CSc1ccc(CNC(=O)C2CCN(C(=O)c3ccnc(-c4ccccc4)c3)CC2)cc1 CSc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccnc(c1)-c1ccccc1
CSc1ccc(CNC(=O)C2CCN(C(=O)c3ccnc(-c4ccccc4)c3)CC2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)CNC(=O)C1CCN(CC1)C(=O)c1ccnc(c1)[*:1]
Cc1cccc(N2CCN(Cc3cccc(N)[nH+]3)CC2)c1 Cc1cccc(c1)[*:1] Nc1cccc(CN2CCN(CC2)[*:1])[nH+]1
CC(C)n1ncc(C(=O)Nc2nc3c(s2)COCC3)c1C(F)(F)F FC(F)(F)[*:1] CC(C)n1ncc(C(=O)Nc2nc3CCOCc3s2)c1[*:1]
CC(C)n1ncc(C(=O)Nc2nc3c(s2)COCC3)c1C(F)(F)F CC(C)[*:1] O=C(Nc1nc2CCOCc2s1)c1cnn(c1C(F)(F)F)[*:1]
Cc1nc(Cn2ccc([C@H]([NH3+])C(C)C)c2)sc1C CC(C)[*:1] Cc1nc(Cn2ccc(c2)[C@H]([NH3+])[*:1])sc1C
CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CCO2)n1 C1CC1[*:1] CCCc1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CCO2)n1 CCC[*:1] O=C([C@@H]1CC(=O)N(C1)C1CC1)N1CCO[C@@H](C1)c1nc(n[nH]1)[*:1]
CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CCO2)n1 CCCc1n[nH]c(n1)[*:1] O=C([C@@H]1CC(=O)N(C1)C1CC1)N1CCO[C@@H](C1)[*:1]
Cc1ccc(C(=O)Cc2cc(C#N)c(C#N)cc2O)cc1 Cc1ccc(cc1)[*:1] N#Cc1cc(O)c(cc1C#N)CC(=O)[*:1]
c1ccc(COc2ccnc(NCc3ccco3)n2)cc1 c1coc(c1)C[*:1] c1ccc(cc1)COc1ccnc(n1)N[*:1]
c1ccc(COc2ccnc(NCc3ccco3)n2)cc1 c1ccc(cc1)C[*:1] c1coc(c1)CNc1nccc(n1)O[*:1]
c1ccc(COc2ccnc(NCc3ccco3)n2)cc1 c1coc(c1)CN[*:1] c1ccc(cc1)COc1ccnc(n1)[*:1]
c1ccc(COc2ccnc(NCc3ccco3)n2)cc1 c1ccc(cc1)[*:1] c1coc(c1)CNc1nccc(n1)OC[*:1]
c1ccc(COc2ccnc(NCc3ccco3)n2)cc1 c1coc(c1)[*:1] c1ccc(cc1)COc1ccnc(n1)NC[*:1]
N#CCCN(C(=O)c1csc(Br)c1)C1CC1 C1CC1[*:1] N#CCCN(C(=O)c1csc(Br)c1)[*:1]
N#CCCN(C(=O)c1csc(Br)c1)C1CC1 N#CCC[*:1] O=C(c1csc(Br)c1)N(C1CC1)[*:1]
N#CCCN(C(=O)c1csc(Br)c1)C1CC1 N#CC[*:1] O=C(c1csc(Br)c1)N(C[*:1])C1CC1
Cc1noc(C)c1CCC(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 Cc1noc(C)c1C[*:1] N#C[C@@H](C(=O)C[*:1])c1nc2sc3CCCCc3c2c(=O)[nH]1
Cc1noc(C)c1CCC(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 Cc1noc(C)c1[*:1] N#C[C@@H](C(=O)CC[*:1])c1nc2sc3CCCCc3c2c(=O)[nH]1
Cc1noc(C)c1CCC(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 Cc1noc(C)c1CC[*:1] N#C[C@@H](C(=O)[*:1])c1nc2sc3CCCCc3c2c(=O)[nH]1
Cc1cccc(N(CCC#N)C(=O)Cc2cccnc2)c1C c1cncc(c1)[*:1] Cc1cccc(c1C)N(CCC#N)C(=O)C[*:1]
Cc1cccc(N(CCC#N)C(=O)Cc2cccnc2)c1C c1cncc(c1)C[*:1] Cc1cccc(c1C)N(CCC#N)C(=O)[*:1]
Cc1cccc(N(CCC#N)C(=O)Cc2cccnc2)c1C N#CCC[*:1] Cc1cccc(c1C)N(C(=O)Cc1cccnc1)[*:1]
Cc1cccc(N(CCC#N)C(=O)Cc2cccnc2)c1C N#CC[*:1] Cc1cccc(c1C)N(C[*:1])C(=O)Cc1cccnc1
CCCN(C)S(=O)(=O)c1ccc(N)cc1Br CCC[*:1] CN(S(=O)(=O)c1ccc(N)cc1Br)[*:1]
CCOc1cc(CN(C)c2ccc3nnc(C)n3n2)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(ccc1[*:1])CN(C)c1ccc2nnc(C)n2n1
CCOc1cc(CN(C)c2ccc3nnc(C)n3n2)ccc1OC(F)F FC(F)[*:1] CCOc1cc(ccc1O[*:1])CN(C)c1ccc2nnc(C)n2n1
CCOc1cc(CN(C)c2ccc3nnc(C)n3n2)ccc1OC(F)F CCO[*:1] Cc1nnc2ccc(nn12)N(C)Cc1ccc(OC(F)F)c(c1)[*:1]
Cc1oc(-c2ccc(C(=O)NCCC(C)C)cc2)nc1CN1CCc2ccccc21 CC(C)[*:1] Cc1oc(nc1CN1CCc2ccccc21)-c1ccc(cc1)C(=O)NCC[*:1]
Cc1oc(-c2ccc(C(=O)NCCC(C)C)cc2)nc1CN1CCc2ccccc21 c1ccc2c(c1)CCN2C[*:1] Cc1oc(nc1[*:1])-c1ccc(cc1)C(=O)NCCC(C)C
Cc1oc(-c2ccc(C(=O)NCCC(C)C)cc2)nc1CN1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] Cc1oc(nc1C[*:1])-c1ccc(cc1)C(=O)NCCC(C)C
Cc1oc(-c2ccc(C(=O)NCCC(C)C)cc2)nc1CN1CCc2ccccc21 CC(C)CCNC(=O)[*:1] Cc1oc(nc1CN1CCc2ccccc21)-c1ccc(cc1)[*:1]
Cc1oc(-c2ccc(C(=O)NCCC(C)C)cc2)nc1CN1CCc2ccccc21 CC(C)CC[*:1] Cc1oc(nc1CN1CCc2ccccc21)-c1ccc(cc1)C(=O)N[*:1]
Cc1oc(-c2ccc(C(=O)NCCC(C)C)cc2)nc1CN1CCc2ccccc21 CC(C)C[*:1] Cc1oc(nc1CN1CCc2ccccc21)-c1ccc(cc1)C(=O)NC[*:1]
CCn1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)cc1=O CCn1ccc(cc1=O)[*:1] O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
CCn1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)cc1=O c1ccc(cc1)[*:1] CCn1ccc(cc1=O)C(=O)N1C[C@H]2CC[C@@H]1CN(C2)C(=O)[*:1]
CCc1c(C(=O)N2CCC[C@@H](C(C)(C)C(=O)OC)C2)[nH]c(C)c1C(C)=O COC(=O)[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)N1CCC[C@H](C1)C(C)(C)[*:1]
CCc1c(C(=O)N2CCC[C@@H](C(C)(C)C(=O)OC)C2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)N1CCC[C@H](C1)C(C)(C)C(=O)OC
CCc1c(C(=O)N2CCC[C@@H](C(C)(C)C(=O)OC)C2)[nH]c(C)c1C(C)=O COC(=O)C(C)(C)[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)N1CCC[C@@H](C1)[*:1]
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
Cc1ccc(C(=O)N2CCN(CN3C(=O)[C@H]4CCC[C@H]43)CC2)cc1 Cc1ccc(cc1)[*:1] O=C1[C@H]2CCC[C@H]2N1CN1CCN(CC1)C(=O)[*:1]
Cc1sc2[nH]c(=S)n(C[C@H]3CCCO3)c(=O)c2c1C C1CO[C@H](C1)C[*:1] Cc1sc2[nH]c(=S)n(c(=O)c2c1C)[*:1]
Cc1sc2[nH]c(=S)n(C[C@H]3CCCO3)c(=O)c2c1C C1CO[C@H](C1)[*:1] Cc1sc2[nH]c(=S)n(C[*:1])c(=O)c2c1C
O=C(CCSc1ccccn1)N1CCC(Oc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCSc1ccccn1)N1CCC(CC1)O[*:1]
O=C(CCSc1ccccn1)N1CCC(Oc2ccc(F)cc2)CC1 Fc1ccc(cc1)O[*:1] O=C(CCSc1ccccn1)N1CCC(CC1)[*:1]
O=C(CCSc1ccccn1)N1CCC(Oc2ccc(F)cc2)CC1 c1ccc(nc1)SC[*:1] O=C(C[*:1])N1CCC(CC1)Oc1ccc(F)cc1
O=C(CCSc1ccccn1)N1CCC(Oc2ccc(F)cc2)CC1 c1ccc(nc1)S[*:1] O=C(CC[*:1])N1CCC(CC1)Oc1ccc(F)cc1
O=C(CCSc1ccccn1)N1CCC(Oc2ccc(F)cc2)CC1 c1ccc(nc1)[*:1] O=C(CCS[*:1])N1CCC(CC1)Oc1ccc(F)cc1
CC[NH2+][C@H](C)c1sc([C@H](C)OC)nc1C CO[C@@H](C)[*:1] CC[NH2+][C@H](C)c1sc(nc1C)[*:1]
CCn1nccc1[C@H]([NH2+]C)[C@]1(N(C)C)CCC[C@H](C)C1 CN(C)[*:1] CCn1nccc1[C@H]([NH2+]C)[C@@]1(CCC[C@H](C)C1)[*:1]
Cn1ccnc1[C@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1 Cn1ccnc1[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])c1ccsc1
Cn1ccnc1[C@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)c1ccsc1)[*:1]
Cn1ccnc1[C@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1 c1cc(cs1)[*:1] Cn1ccnc1[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
CC1=N/C(=C\c2ccc(OC(C)C)cc2)C(=O)N1c1ccc2ccccc2c1 CC(C)[*:1] CC1=N/C(=C\c2ccc(cc2)O[*:1])C(=O)N1c1ccc2ccccc2c1
CC1=N/C(=C\c2ccc(OC(C)C)cc2)C(=O)N1c1ccc2ccccc2c1 CC(C)O[*:1] CC1=N/C(=C\c2ccc(cc2)[*:1])C(=O)N1c1ccc2ccccc2c1
CCCCN(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCCCN(C(=O)c1ccc(cc1)-n1c(C)nc2ccccc2c1=O)[*:1]
CCCCN(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1ccccc1 CCC[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)N(C[*:1])c1ccccc1
CCCCN(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1ccccc1 CCCC[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)N(c1ccccc1)[*:1]
O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl O=C([O-])[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl O=[N+]([O-])[*:1] O=C([O-])c1ccc(cc1Cl)NC(=O)c1ccc(cc1Cl)[*:1]
CCC(=O)N1CCC(N2CCN(C(=O)c3cccc(F)c3)CC2)CC1 Fc1cccc(c1)[*:1] CCC(=O)N1CCC(CC1)N1CCN(CC1)C(=O)[*:1]
CCSC(SCC)C1N=NN=N1 CCS[*:1] CCSC(C1N=NN=N1)[*:1]
CC(C)c1nc(C(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2)n[nH]1 CC(C)[*:1] O=C(c1n[nH]c(n1)[*:1])N1C[C@@H]2C[NH2+]C[C@@H]2C1
COC(=O)[C@@H](CC(C)C)NC(=O)Cc1c(C)nc(C)[nH]c1=O CC(C)C[*:1] COC(=O)[C@@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)Cc1c(C)nc(C)[nH]c1=O COC(=O)[*:1] Cc1nc(C)c(CC(=O)N[C@H](CC(C)C)[*:1])c(=O)[nH]1
COC(=O)[C@@H](CC(C)C)NC(=O)Cc1c(C)nc(C)[nH]c1=O CC(C)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)Cc1c(C)nc(C)[nH]c1=O
O=C(NCCC(F)(F)F)NC1(c2nccs2)CCCC1 c1csc(n1)[*:1] O=C(NCCC(F)(F)F)NC1(CCCC1)[*:1]
O=C(NCCC(F)(F)F)NC1(c2nccs2)CCCC1 FC(F)(F)C[*:1] O=C(NC[*:1])NC1(CCCC1)c1nccs1
O=C(NCCC(F)(F)F)NC1(c2nccs2)CCCC1 FC(F)(F)CC[*:1] O=C(NC1(CCCC1)c1nccs1)N[*:1]
O=C(NCCC(F)(F)F)NC1(c2nccs2)CCCC1 FC(F)(F)[*:1] O=C(NCC[*:1])NC1(CCCC1)c1nccs1
NC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1 NC(=O)[*:1] C(=C/c1ccccc1)\C[NH+]1CCC(CC1)[*:1]
NC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)C1CC[NH+](CC=C[*:1])CC1
CC(C)(C)c1ccc(NC(=O)NCc2nnnn2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)NCc1nnnn1[*:1]
CC(C)(C)c1ccc(NC(=O)NCc2nnnn2-c2ccccc2)cc1 CC(C)(C)[*:1] O=C(NCc1nnnn1-c1ccccc1)Nc1ccc(cc1)[*:1]
CCOc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](CC(N)=O)C1CCCCC1)CO2 NC(=O)C[*:1] CCOc1ccc2OC[C@@H](Cc2c1)C(=O)N[C@@H](C1CCCCC1)[*:1]
CCOc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](CC(N)=O)C1CCCCC1)CO2 C1CCC(CC1)[*:1] CCOc1ccc2OC[C@@H](Cc2c1)C(=O)N[C@@H](CC(N)=O)[*:1]
CCOc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](CC(N)=O)C1CCCCC1)CO2 NC(=O)[*:1] CCOc1ccc2OC[C@@H](Cc2c1)C(=O)N[C@@H](C[*:1])C1CCCCC1
CCOc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](CC(N)=O)C1CCCCC1)CO2 CCO[*:1] NC(=O)C[C@H](NC(=O)[C@H]1COc2ccc(cc2C1)[*:1])C1CCCCC1
Cc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cccc1-n1nnc2cccnc21 c1ccc(cc1)C[*:1] Cc1c(cccc1-n1nnc2cccnc21)C(=O)NC1CC[NH+](CC1)[*:1]
Cc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cccc1-n1nnc2cccnc21 c1cnc2c(c1)nnn2[*:1] Cc1c(cccc1[*:1])C(=O)NC1CC[NH+](CC1)Cc1ccccc1
Cc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cccc1-n1nnc2cccnc21 c1ccc(cc1)[*:1] Cc1c(cccc1-n1nnc2cccnc21)C(=O)NC1CC[NH+](CC1)C[*:1]
O=C(Nc1cccc(F)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 Fc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1
O=C(Nc1cccc(F)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)[C@H]1CCCCN1S(=O)(=O)[*:1]
CONC(=O)c1ccc([N+](=O)[O-])cc1I O=[N+]([O-])[*:1] CONC(=O)c1ccc(cc1I)[*:1]
CONC(=O)c1ccc([N+](=O)[O-])cc1I CONC(=O)[*:1] O=[N+]([O-])c1ccc(c(I)c1)[*:1]
Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 Cc1noc(C)c1[*:1] C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)[*:1]
Cc1cc(C)c2c(c1)CN(C(C)C)C2=O CC(C)[*:1] Cc1cc(C)c2C(=O)N(Cc2c1)[*:1]
CC(C)Oc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)cc1 CC(C)Oc1ccc(cc1)[*:1] O=C1CN(C(=O)[*:1])[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1
CC(C)Oc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1[*:1]
CC(C)Oc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)cc1 CC(C)O[*:1] O=C1CN(C(=O)c2ccc(cc2)[*:1])[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1
CC(C)Oc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)cc1 CC(C)[*:1] O=C1CN(C(=O)c2ccc(cc2)O[*:1])[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1
C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(CC(N)=O)CC1 Clc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)CC(N)=O
C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(CC(N)=O)CC1 NC(=O)[*:1] C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C[*:1]
C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(CC(N)=O)CC1 NC(=O)C[*:1] C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)[*:1]
CCCCOc1cccc(NC(=O)N[C@@H]2C[C@H]2C)c1 CCC[*:1] C[C@@H]1C[C@H]1NC(=O)Nc1cccc(c1)OC[*:1]
CCCCOc1cccc(NC(=O)N[C@@H]2C[C@H]2C)c1 CCCC[*:1] C[C@@H]1C[C@H]1NC(=O)Nc1cccc(c1)O[*:1]
CCCCOc1cccc(NC(=O)N[C@@H]2C[C@H]2C)c1 CCCCO[*:1] C[C@@H]1C[C@H]1NC(=O)Nc1cccc(c1)[*:1]
C=C(C)COc1ccc(-c2[nH]ncc2-c2ccc(OC)c(OC)c2)c(O)c1 C=C(C)[*:1] COc1ccc(cc1OC)-c1cn[nH]c1-c1ccc(cc1O)OC[*:1]
C=C(C)COc1ccc(-c2[nH]ncc2-c2ccc(OC)c(OC)c2)c(O)c1 C=C(C)CO[*:1] COc1ccc(cc1OC)-c1cn[nH]c1-c1ccc(cc1O)[*:1]
C=C(C)COc1ccc(-c2[nH]ncc2-c2ccc(OC)c(OC)c2)c(O)c1 C=C(C)C[*:1] COc1ccc(cc1OC)-c1cn[nH]c1-c1ccc(cc1O)O[*:1]
O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCCO[C@H]1[*:1]
Cn1cc(CCC(=O)Nc2cc(-c3ccncc3)n[nH]2)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])Nc1cc(n[nH]1)-c1ccncc1
Cn1cc(CCC(=O)Nc2cc(-c3ccncc3)n[nH]2)cn1 c1cc(ccn1)[*:1] Cn1cc(cn1)CCC(=O)Nc1cc(n[nH]1)[*:1]
Cn1cc(CCC(=O)Nc2cc(-c3ccncc3)n[nH]2)cn1 Cn1cc(cn1)C[*:1] O=C(C[*:1])Nc1cc(n[nH]1)-c1ccncc1
CN(CC(C)(C)C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])[*:1] CN(CC(C)(C)C)C(=O)N1CCO[C@H](C1)C[*:1]
CN(CC(C)(C)C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 CC(C)(C)C[*:1] CN(C(=O)N1CCO[C@@H](CC(=O)[O-])C1)[*:1]
CN(CC(C)(C)C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 CC(C)(C)[*:1] CN(C[*:1])C(=O)N1CCO[C@@H](CC(=O)[O-])C1
CN(CC(C)(C)C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])C[*:1] CN(CC(C)(C)C)C(=O)N1CCO[C@@H](C1)[*:1]
COCCN(C(=O)[C@H]1CCCCC[C@@H]1[NH3+])[C@H]1CCSC1 COCC[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)N([C@H]1CCSC1)[*:1]
COCCN(C(=O)[C@H]1CCCCC[C@@H]1[NH3+])[C@H]1CCSC1 C1C[C@@H](CS1)[*:1] COCCN(C(=O)[C@H]1CCCCC[C@@H]1[NH3+])[*:1]
COCCN(C(=O)[C@H]1CCCCC[C@@H]1[NH3+])[C@H]1CCSC1 COC[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)N(C[*:1])[C@H]1CCSC1
CC(=O)N1CCC([C@H](NC(=O)c2ccc(F)cc2)C(=O)NC2CC2)CC1 Fc1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)[C@H](NC(=O)[*:1])C(=O)NC1CC1
CC(=O)N1CCC([C@H](NC(=O)c2ccc(F)cc2)C(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] CC(=O)N1CCC(CC1)[C@H](NC(=O)c1ccc(F)cc1)[*:1]
CC(=O)N1CCC([C@H](NC(=O)c2ccc(F)cc2)C(=O)NC2CC2)CC1 C1CC1[*:1] CC(=O)N1CCC(CC1)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[*:1]
CCC[NH2+][C@@H](C)c1csc(N(C)C2CCC(C)(C)CC2)n1 CCC[*:1] C[C@H]([NH2+][*:1])c1csc(n1)N(C)C1CCC(C)(C)CC1
C[C@H](CCl)CS(=O)(=O)Nc1cnn(C[C@@H]2CCCO2)c1 C[C@H](CCl)[*:1] O=S(=O)(C[*:1])Nc1cnn(c1)C[C@@H]1CCCO1
C[C@H](CCl)CS(=O)(=O)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] C[C@H](CCl)CS(=O)(=O)Nc1cnn(c1)C[*:1]
C[C@H](CCl)CS(=O)(=O)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] C[C@H](CCl)CS(=O)(=O)Nc1cnn(c1)[*:1]
C[C@H](CCl)CS(=O)(=O)Nc1cnn(C[C@@H]2CCCO2)c1 C[C@H](CCl)C[*:1] O=S(=O)(Nc1cnn(c1)C[C@@H]1CCCO1)[*:1]
O=C(Nc1ccccc1NCC(F)(F)F)c1[nH]nc(C2CC2)c1Cl FC(F)(F)C[*:1] O=C(Nc1ccccc1N[*:1])c1[nH]nc(c1Cl)C1CC1
O=C(Nc1ccccc1NCC(F)(F)F)c1[nH]nc(C2CC2)c1Cl FC(F)(F)CN[*:1] O=C(Nc1ccccc1[*:1])c1[nH]nc(c1Cl)C1CC1
O=C(Nc1ccccc1NCC(F)(F)F)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] O=C(Nc1ccccc1NCC(F)(F)F)c1[nH]nc(c1Cl)[*:1]
O=C(Nc1ccccc1NCC(F)(F)F)c1[nH]nc(C2CC2)c1Cl FC(F)(F)[*:1] O=C(Nc1ccccc1NC[*:1])c1[nH]nc(c1Cl)C1CC1
C=CCn1c([O-])c(C(=O)[C@H](CC)Oc2ccc(F)cc2)c(C)c(C#N)c1=O C=CC[*:1] CC[C@H](Oc1ccc(F)cc1)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
C=CCn1c([O-])c(C(=O)[C@H](CC)Oc2ccc(F)cc2)c(C)c(C#N)c1=O Fc1ccc(cc1)[*:1] C=CCn1c([O-])c(C(=O)[C@H](CC)O[*:1])c(C)c(C#N)c1=O
C=CCn1c([O-])c(C(=O)[C@H](CC)Oc2ccc(F)cc2)c(C)c(C#N)c1=O Fc1ccc(cc1)O[*:1] C=CCn1c([O-])c(C(=O)[C@H](CC)[*:1])c(C)c(C#N)c1=O
O=C([O-])COc1cc2ccccc2cc1O O=C([O-])[*:1] Oc1cc2ccccc2cc1OC[*:1]
O=C([O-])COc1cc2ccccc2cc1O O=C([O-])CO[*:1] Oc1cc2ccccc2cc1[*:1]
O=C([O-])COc1cc2ccccc2cc1O O=C([O-])C[*:1] Oc1cc2ccccc2cc1O[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCOC[C@H]1CC(C)C CC(C)C[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCOC[C@@H]1[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCOC[C@H]1CC(C)C CC(C)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCOC[C@H]1C[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCOC[C@H]1CC(C)C c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)CN1CCOC[C@H]1CC(C)C)[*:1]
C[C@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1CNC(=O)[*:1]
COC(=O)c1cc(NC(=O)NCc2ccccn2)c(F)cc1F c1ccc(nc1)[*:1] COC(=O)c1cc(NC(=O)NC[*:1])c(F)cc1F
COC(=O)c1cc(NC(=O)NCc2ccccn2)c(F)cc1F COC(=O)[*:1] O=C(NCc1ccccn1)Nc1cc(c(F)cc1F)[*:1]
COC(=O)c1cc(NC(=O)NCc2ccccn2)c(F)cc1F c1ccc(C[*:1])nc1 COC(=O)c1cc(NC(=O)N[*:1])c(F)cc1F
CCSC1(CNC(=O)c2c(CC)noc2C)CCOCC1 CCS[*:1] CCc1noc(C)c1C(=O)NCC1(CCOCC1)[*:1]
Cc1cc(NC(=O)C[NH+](C)Cc2cccc(Cl)c2)on1 Cc1cc(on1)[*:1] C[NH+](CC(=O)N[*:1])Cc1cccc(Cl)c1
C[C@H]1CC(C(=O)Nc2ccccc2N(C)C2CCCC2)C[C@H](C)O1 C1CCC(C1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccccc1N(C)[*:1]
C[C@H]1CC(C(=O)Nc2ccccc2N(C)C2CCCC2)C[C@H](C)O1 CN(C1CCCC1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccccc1[*:1]
CC(C)S(=O)(=O)N1CCC(Oc2ncccn2)CC1 CC(C)[*:1] O=S(=O)(N1CCC(CC1)Oc1ncccn1)[*:1]
CC(C)S(=O)(=O)N1CCC(Oc2ncccn2)CC1 c1cnc(nc1)[*:1] CC(C)S(=O)(=O)N1CCC(CC1)O[*:1]
C[C@H](CC1CCCC1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 C1CCC(C1)C[*:1] C[C@H](C(=O)Nc1ccc(cc1)NC(=O)c1ccco1)[*:1]
C[C@H](CC1CCCC1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] C[C@H](CC1CCCC1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
C[C@H](CC1CCCC1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 C[C@H](CC1CCCC1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](CC1CCCC1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 C1CCC(C1)[*:1] C[C@H](C[*:1])C(=O)Nc1ccc(cc1)NC(=O)c1ccco1
CC(C)N1CCO[C@H](c2noc(CC(=O)C(F)F)n2)C1 O=C(C(F)F)[*:1] CC(C)N1CCO[C@@H](C1)c1noc(C[*:1])n1
CC(C)N1CCO[C@H](c2noc(CC(=O)C(F)F)n2)C1 CC(C)[*:1] O=C(Cc1nc(no1)[C@@H]1CN(CCO1)[*:1])C(F)F
CC(C)N1CCO[C@H](c2noc(CC(=O)C(F)F)n2)C1 O=C(C[*:1])C(F)F CC(C)N1CCO[C@@H](C1)c1noc(n1)[*:1]
CC(C)N1CCO[C@H](c2noc(CC(=O)C(F)F)n2)C1 FC(F)[*:1] CC(C)N1CCO[C@@H](C1)c1noc(CC(=O)[*:1])n1
C/[NH+]=C(/NCc1cc(C)on1)NCc1cc(Br)cs1 Cc1cc(no1)[*:1] C/[NH+]=C(\NCc1cc(Br)cs1)NC[*:1]
C/[NH+]=C(/NCc1cc(C)on1)NCc1cc(Br)cs1 Brc1csc(c1)[*:1] C/[NH+]=C(/NCc1cc(C)on1)NC[*:1]
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O O=[N+]([O-])[*:1] C[C@H](C(=O)Nc1cccc(c1)[*:1])N1C(=O)c2ccccc2C1=O
CC(C)[NH2+]Cc1ccc(-c2cscc2Br)cc1 CC(C)[*:1] Brc1cscc1-c1ccc(cc1)C[NH2+][*:1]
CC(C)[NH2+]Cc1ccc(-c2cscc2Br)cc1 CC(C)[NH2+]C[*:1] Brc1cscc1-c1ccc(cc1)[*:1]
O=C(Nc1nncs1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1nncs1)N[C@@H]1CCC[C@H](C1)[*:1]
O=C(Nc1nncs1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 c1nnc(s1)[*:1] O=C(N[C@@H]1CCC[C@@H](C1)C(F)(F)F)N[*:1]
CC(C)(C)[C@H](NC(=O)N1CCC[C@H](CO)C1)c1cccs1 CC(C)(C)[*:1] O=C(N[C@H](c1cccs1)[*:1])N1CCC[C@H](CO)C1
CC(C)(C)[C@H](NC(=O)N1CCC[C@H](CO)C1)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@H](NC(=O)N1CCC[C@H](CO)C1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)c2n[nH]c3ccccc23)CC1 CC(C)N(C)C(=O)[*:1] O=C(c1n[nH]c2ccccc12)N1CCC(CC1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)c2n[nH]c3ccccc23)CC1 CC(C)[*:1] CN(C(=O)C1CCN(CC1)C(=O)c1n[nH]c2ccccc12)[*:1]
Cc1cccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)[C@@H](C)NC(=O)[*:1])c1C
CCN(CC1CC1)[C@H](C[NH3+])c1ccc(Br)c(C)c1 C1CC1C[*:1] CCN([C@H](C[NH3+])c1ccc(Br)c(C)c1)[*:1]
CCN(CC1CC1)[C@H](C[NH3+])c1ccc(Br)c(C)c1 C1CC1[*:1] CCN(C[*:1])[C@H](C[NH3+])c1ccc(Br)c(C)c1
O=C(c1ccn(CCCO)c1)C1CC1 OCC[*:1] O=C(c1ccn(c1)C[*:1])C1CC1
O=C(c1ccn(CCCO)c1)C1CC1 C1CC1[*:1] O=C(c1ccn(c1)CCCO)[*:1]
O=C(c1ccn(CCCO)c1)C1CC1 OCCC[*:1] O=C(c1ccn(c1)[*:1])C1CC1
CCCN(CC)C(=O)N(CC(=O)[O-])C(C)(C)C CCC[*:1] CCN(C(=O)N(CC(=O)[O-])C(C)(C)C)[*:1]
CCCN(CC)C(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])[*:1] CCCN(CC)C(=O)N(C[*:1])C(C)(C)C
CCCN(CC)C(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])C[*:1] CCCN(CC)C(=O)N(C(C)(C)C)[*:1]
CCCN(CC)C(=O)N(CC(=O)[O-])C(C)(C)C CC(C)(C)[*:1] CCCN(CC)C(=O)N(CC(=O)[O-])[*:1]
O=C(CSc1cccc2cccnc12)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1cccc2cccnc12)NCC[*:1]
O=C(CSc1cccc2cccnc12)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1cccc2cccnc12)NC[*:1]
Cc1cnn(-c2ccc([C@H](C)NC(=O)[C@@H]3CCCN3C(N)=O)cc2F)c1 Cc1cnn(c1)[*:1] C[C@H](NC(=O)[C@@H]1CCCN1C(N)=O)c1ccc(c(F)c1)[*:1]
Cc1cnn(-c2ccc([C@H](C)NC(=O)[C@@H]3CCCN3C(N)=O)cc2F)c1 NC(=O)N1CCC[C@H]1[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@H](C)NC(=O)[*:1]
O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C(NCC1(CCCCC1)[NH+]1CCCCC1)[*:1]
C[C@@H]1CC(CC[S@@](=O)Cc2ncn(-c3ccccc3)n2)C[C@@H](C)C1 c1ccc(cc1)[*:1] C[C@@H]1CC(CC[S@@](=O)Cc2ncn(n2)[*:1])C[C@@H](C)C1
CCOC(=O)N1CCN(Cn2nc(-c3ccco3)n(C)c2=S)CC1 c1coc(c1)[*:1] CCOC(=O)N1CCN(CC1)Cn1nc(n(C)c1=S)[*:1]
FC(F)(F)[C@@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CCO1 c1ccc(cc1)[*:1] FC(F)(F)[C@@H]1CN(CCO1)Cc1cnc2c(cnn2c1)[*:1]
FC(F)(F)[C@@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CCO1 FC(F)(F)[*:1] c1ccc(cc1)-c1cnn2cc(cnc12)CN1CCO[C@@H](C1)[*:1]
Cc1cc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CCCn2nc(cc2C)[N+](=O)[O-])n(n1)[*:1]
Cc1cc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)n(-c2ccccc2)n1 O=[N+]([O-])[*:1] Cc1cc(NC(=O)CCCn2nc(cc2C)[*:1])n(n1)-c1ccccc1
Cc1cc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)n(-c2ccccc2)n1 Cc1cc(nn1[*:1])[N+](=O)[O-] Cc1cc(NC(=O)CCC[*:1])n(n1)-c1ccccc1
COc1ccc(C(=O)Oc2ccc(/C=C\[N+](=O)[O-])cc2OC)cc1 COc1ccc(cc1)[*:1] COc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)[*:1]
COc1ccc(C(=O)Oc2ccc(/C=C\[N+](=O)[O-])cc2OC)cc1 O=[N+]([O-])C=C[*:1] COc1ccc(cc1)C(=O)Oc1ccc(cc1OC)[*:1]
COc1ccc(C(=O)Oc2ccc(/C=C\[N+](=O)[O-])cc2OC)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C(=O)Oc1ccc(C=C[*:1])cc1OC
Cc1nc(C)c(CC(=O)NCCCc2cccc(Br)c2)c(=O)[nH]1 Brc1cccc(c1)[*:1] Cc1nc(C)c(CC(=O)NCCC[*:1])c(=O)[nH]1
COc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1 COc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1 CC(=O)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](C(=O)NCc1ccco1)n1nc(-c2ccc(F)cc2)ccc1=O c1coc(c1)[*:1] C[C@@H](C(=O)NC[*:1])n1nc(ccc1=O)-c1ccc(F)cc1
C[C@@H](C(=O)NCc1ccco1)n1nc(-c2ccc(F)cc2)ccc1=O Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NCc1ccco1)n1nc(ccc1=O)[*:1]
C[C@@H](C(=O)NCc1ccco1)n1nc(-c2ccc(F)cc2)ccc1=O c1coc(c1)C[*:1] C[C@@H](C(=O)N[*:1])n1nc(ccc1=O)-c1ccc(F)cc1
Cc1cc2ncn(CC3CCN(C(=O)c4ccc(C#N)cc4)CC3)c2cc1C N#Cc1ccc(cc1)[*:1] Cc1cc2ncn(CC3CCN(CC3)C(=O)[*:1])c2cc1C
CN(C(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc2noc(-c3ccccc3)c2c1)[*:1]
CN(C(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc2noc(c2c1)[*:1])c1ccccc1
CCn1c(CNC(=O)Cc2cccc(OC)c2)nc2ccccc21 COc1cccc(c1)[*:1] CCn1c(CNC(=O)C[*:1])nc2ccccc21
CN(CCOc1ccccc1)C(=O)c1cccc(C#N)c1 c1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)c1cccc(C#N)c1
CN(CCOc1ccccc1)C(=O)c1cccc(C#N)c1 c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)c1cccc(C#N)c1
COc1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])NC(=O)C1C[C@H](C)O[C@@H](C)C1
CC(C)(C)C(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1 CC(C)(C)[*:1] O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)[*:1]
CC(C)(C)C(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1 CC(C)(C)C(=O)[*:1] O=S(=O)(c1ccccc1)n1c(nc2ccccc21)SC[*:1]
CC(C)(C)C(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)CSc1nc2ccccc2n1S(=O)(=O)[*:1]
CC(C)(C)C(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1 CC(C)(C)C(=O)CS[*:1] O=S(=O)(c1ccccc1)n1c(nc2ccccc21)[*:1]
CC(C)(C)C(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1 CC(C)(C)C(=O)C[*:1] O=S(=O)(c1ccccc1)n1c(nc2ccccc21)S[*:1]
CCOC(=O)[C@@H](F)Oc1ccc2c(c1)CCC2 CCOC(=O)[*:1] F[C@@H](Oc1ccc2CCCc2c1)[*:1]
N#Cc1nccn1-c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] N#Cc1nccn1-c1ncc(cc1Cl)[*:1]
O=C(OC[C@H]1CCCCO1)c1cnc(-c2ccccc2)nc1 c1ccc(cc1)[*:1] O=C(OC[C@H]1CCCCO1)c1cnc(nc1)[*:1]
O=C(OC[C@H]1CCCCO1)c1cnc(-c2ccccc2)nc1 C1CC[C@H](C[*:1])OC1 O=C(O[*:1])c1cnc(nc1)-c1ccccc1
O=C(OC[C@H]1CCCCO1)c1cnc(-c2ccccc2)nc1 C1CC[C@@H](OC1)[*:1] O=C(OC[*:1])c1cnc(nc1)-c1ccccc1
CC[C@@H](CNC(=O)N1CCC(CO)CC1)Oc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@@H](CNC(=O)N1CCC(CO)CC1)Oc1cccc(c1)[*:1]
C[C@H](NC(N)=O)C(=O)N[C@@H](CO)C(=O)[O-] NC(=O)N[*:1] C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])[*:1]
C[C@H](NC(N)=O)C(=O)N[C@@H](CO)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(N)=O)C(=O)N[C@@H](CO)[*:1]
COc1cccc(C2=[NH+][C@@H](c3ccccc3)C(=S)N2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C1NC(=S)[C@H]([NH+]=1)[*:1]
CC(=O)N[C@H]1C(=O)Nc2ccc(F)cc21 CC(=O)N[*:1] O=C1Nc2ccc(F)cc2[C@H]1[*:1]
CC(=O)N(CCc1ccc(F)cc1)CC1=CCC[NH+](CCO)C1 Fc1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC1=CCC[NH+](CCO)C1
CN1CCN(C(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)CC1 CN1CCN(CC1)C(=O)[*:1] O=c1c(cccn1Cc1ccc(cc1)C(F)(F)F)[*:1]
CN1CCN(C(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)CC1 FC(F)(F)[*:1] CN1CCN(CC1)C(=O)c1cccn(Cc2ccc(cc2)[*:1])c1=O
C[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cccc(Cl)c2)C3)CC1 Clc1cccc(c1)[*:1] C[NH+]1CCN(CC1)c1ncc2CN(CCc2n1)C[*:1]
C[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cccc(Cl)c2)C3)CC1 Clc1cccc(c1)C[*:1] C[NH+]1CCN(CC1)c1ncc2CN(CCc2n1)[*:1]
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@H](C(N)=O)C2)C1=O NC(=O)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCC[C@H](C2)[*:1])C1=O)c1ccccc1
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@H](C(N)=O)C2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCC[C@@H](C2)C(N)=O)C1=O)[*:1]
O=C1NCCc2ccc(S(=O)(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cc21 c1c[nH]c(n1)[*:1] O=C1NCCc2ccc(cc21)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
Cc1cc(C(=O)NNC(=O)Cc2ccncc2)cc(C)c1OC(F)F c1cc(ccn1)C[*:1] Cc1cc(cc(C)c1OC(F)F)C(=O)NNC(=O)[*:1]
Cc1cc(C(=O)NNC(=O)Cc2ccncc2)cc(C)c1OC(F)F c1cc(ccn1)[*:1] Cc1cc(cc(C)c1OC(F)F)C(=O)NNC(=O)C[*:1]
Cc1cc(C(=O)NNC(=O)Cc2ccncc2)cc(C)c1OC(F)F FC(F)O[*:1] Cc1cc(cc(C)c1[*:1])C(=O)NNC(=O)Cc1ccncc1
Cc1cc(C(=O)NNC(=O)Cc2ccncc2)cc(C)c1OC(F)F FC(F)[*:1] Cc1cc(cc(C)c1O[*:1])C(=O)NNC(=O)Cc1ccncc1
CCN[C@@H](c1cnccn1)C1([NH+](C)C)CCCC1 CCN[*:1] C[NH+](C)C1(CCCC1)[C@H](c1cnccn1)[*:1]
CCN[C@@H](c1cnccn1)C1([NH+](C)C)CCCC1 c1cnc(cn1)[*:1] CCN[C@@H](C1(CCCC1)[NH+](C)C)[*:1]
COc1cccc2c1OC[C@H](C(=O)NCc1c(C)n[nH]c1C)C2 Cc1n[nH]c(C)c1[*:1] COc1cccc2C[C@H](COc21)C(=O)NC[*:1]
CCCC[C@@H](C(=O)OC)C(=O)[C@@H]1CCc2ccccc2C1 COC(=O)[*:1] CCCC[C@@H](C(=O)[C@@H]1CCc2ccccc2C1)[*:1]
CCCC[C@@H](C(=O)OC)C(=O)[C@@H]1CCc2ccccc2C1 CCCC[*:1] COC(=O)[C@@H](C(=O)[C@@H]1CCc2ccccc2C1)[*:1]
CCCC[C@@H](C(=O)OC)C(=O)[C@@H]1CCc2ccccc2C1 CCC[*:1] COC(=O)[C@H](C[*:1])C(=O)[C@@H]1CCc2ccccc2C1
CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 CCC[*:1] O=C(NCC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 CCCC[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 CCCCC[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCCCCNC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 CCCCCNC(=O)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC(CC1)[*:1]
COc1ccc(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 COc1ccc(cc1)N[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1nc(N)c(c(n1)[*:1])[N+](=O)[O-]
COc1ccc(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)Nc1nc(nc(N)c1[*:1])N1C[C@@H](C)O[C@H](C)C1
COc1ccc(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 COc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1nc(N)c(c(n1)N[*:1])[N+](=O)[O-]
CCc1cc2c3c([nH]c2cc1S(=O)(=O)N(C)Cc1ccco1)CCCC3=O c1coc(c1)C[*:1] CCc1cc2c3C(=O)CCCc3[nH]c2cc1S(=O)(=O)N(C)[*:1]
CCc1cc2c3c([nH]c2cc1S(=O)(=O)N(C)Cc1ccco1)CCCC3=O c1coc(c1)[*:1] CCc1cc2c3C(=O)CCCc3[nH]c2cc1S(=O)(=O)N(C)C[*:1]
CCc1ncc(C(=O)N2CCN(c3cccc(OC)c3)CC2)s1 CCc1ncc(s1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)[*:1]
C[C@@H]1C[C@@H]([NH3+])CN(c2ccc(F)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@@H]1C[C@@H]([NH3+])CN(C1)c1ccc(F)cc1[*:1]
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)CC3CCC3)C2)c1 C1CC(C1)[*:1] COc1cc(cc(c1)N1CC[C@@H](C1)N(C)C(=O)C[*:1])OC
COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)CC3CCC3)C2)c1 C1CC(C1)C[*:1] COc1cc(cc(c1)N1CC[C@@H](C1)N(C)C(=O)[*:1])OC
COc1ccc2c(c1)[C@@H]([NH3+])[C@H](Oc1ccc(C)cc1)CC2 Cc1ccc(cc1)[*:1] COc1ccc2CC[C@@H](O[*:1])[C@H]([NH3+])c2c1
Cc1ccc(NC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)CCc1csc(n1)NC(=O)[*:1]
Cc1ccc(NC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc1Cl O=C(N[*:1])c1ccccc1 Cc1ccc(cc1Cl)NC(=O)CCc1csc(n1)[*:1]
Cc1ccc(NC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(CCc1csc(n1)NC(=O)c1ccccc1)N[*:1]
O=C(c1cn(-c2ccccc2)nn1)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(c1cn(nn1)[*:1])N1CCCCCC1
Cc1cccc(NC(=O)NCC(=O)Nc2cc(C)ccc2F)c1 Cc1cccc(c1)[*:1] Cc1ccc(F)c(c1)NC(=O)CNC(=O)N[*:1]
Cc1ccc(C(=O)NNC(=O)c2c[nH]c3nccc(Cl)c23)s1 Cc1ccc(s1)[*:1] O=C(NNC(=O)[*:1])c1c[nH]c2nccc(Cl)c12
CCOc1ccccc1[N-]S(=O)(=O)[C@@H]1C(C)=NC(C)=C1C(=O)N1CCCCC1 CCOc1ccccc1[*:1] CC1=NC(C)=C(C(=O)N2CCCCC2)[C@@H]1S(=O)(=O)[N-][*:1]
CCOc1ccccc1[N-]S(=O)(=O)[C@@H]1C(C)=NC(C)=C1C(=O)N1CCCCC1 CCO[*:1] CC1=NC(C)=C(C(=O)N2CCCCC2)[C@@H]1S(=O)(=O)[N-]c1ccccc1[*:1]
CCOc1ccccc1[N-]S(=O)(=O)[C@@H]1C(C)=NC(C)=C1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CCOc1ccccc1[N-]S(=O)(=O)[C@@H]1C(C)=NC(C)=C1[*:1]
O=C(Nc1ccc(Cl)nc1)N[C@@H](CO)c1ccc(Cl)cc1 Clc1ccc(cn1)[*:1] O=C(N[C@@H](CO)c1ccc(Cl)cc1)N[*:1]
O=C(Nc1ccc(Cl)nc1)N[C@@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)nc1)N[C@@H](CO)[*:1]
CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 Fc1ccc(cc1)[*:1] CCC[C@@]1(N[C@@H]([C@H]2C(=O)N(C)C(=O)[C@@H]21)[*:1])C(=O)OCC
CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 CCC[*:1] CCOC(=O)[C@@]1(N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21)[*:1]
CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 CCOC(=O)[*:1] CCC[C@@]1(N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21)[*:1]
Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cscn3)CC2)c1 O=C([O-])[*:1] Cc1cnn(c1)C1(CCN(CC1)C(=O)c1cscn1)[*:1]
Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cscn3)CC2)c1 Cc1cnn(c1)[*:1] O=C(c1cscn1)N1CCC(CC1)(C(=O)[O-])[*:1]
Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cscn3)CC2)c1 c1nc(cs1)[*:1] Cc1cnn(c1)C1(CCN(CC1)C(=O)[*:1])C(=O)[O-]
C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 C=CC[*:1] CC(C)c1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(c2ccccc21)[*:1]
C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 CC(C)[*:1] C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(cc2)[*:1])c2ccccc21
COc1cc(C)c(C(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1OC C1CCC(C1)[*:1] COc1cc(C)c(cc1OC)C(=O)N(C[C@H]1CCCO1)[*:1]
Cn1c(=O)n(C)c2cc(C(=O)N3CCC[C@@H](n4nc(-c5ccco5)ccc4=O)C3)ccc21 c1coc(c1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)C(=O)N1CCC[C@H](C1)n1nc(ccc1=O)[*:1]
CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3c(F)cccc3F)n2)ccc1C CCC(=O)N[*:1] Cc1ccc(cc1[*:1])-c1ccc(=O)n(CC(=O)Nc2c(F)cccc2F)n1
CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3c(F)cccc3F)n2)ccc1C Fc1cccc(F)c1[*:1] CCC(=O)Nc1cc(ccc1C)-c1ccc(=O)n(CC(=O)N[*:1])n1
CC[C@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] CC[C@H](C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1[*:1])[N+](=O)[O-]
CC[C@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 O=[N+]([O-])[*:1] CC[C@H](C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1N1CCOCC1)[*:1]
CC[C@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 CC[C@H](C)O[*:1] O=C(Nc1ccc(cc1N1CCOCC1)[N+](=O)[O-])c1ccc(cc1)[*:1]
CC1=C(C(=O)COC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)C[C@H](C)N1c1ccccc1 c1ccc(cc1)[*:1] CC1=C(C[C@H](C)N1[*:1])C(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C
O=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1noc(n1)C1CCCC1)[*:1]
O=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccccc1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)-c1noc(n1)[*:1])c1ccccc1
Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2cc[nH]n2)n1 c1cc(n[nH]1)[*:1] Nc1ncc(-c2ccc(Cl)cc2)c(n1)[C@H]1CCCN1C(=O)[*:1]
Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2cc[nH]n2)n1 Clc1ccc(cc1)[*:1] Nc1ncc(c(n1)[C@H]1CCCN1C(=O)c1cc[nH]n1)[*:1]
CC(=O)N1CCC[C@@H](Cc2ccc(NCCN3CCCC3=O)n[nH+]2)C1 O=C1CCCN1C[*:1] CC(=O)N1CCC[C@@H](Cc2ccc(n[nH+]2)NC[*:1])C1
CC(=O)N1CCC[C@@H](Cc2ccc(NCCN3CCCC3=O)n[nH+]2)C1 O=C1CCCN1CC[*:1] CC(=O)N1CCC[C@@H](Cc2ccc(n[nH+]2)N[*:1])C1
CC(=O)N1CCC[C@@H](Cc2ccc(NCCN3CCCC3=O)n[nH+]2)C1 O=C1CCCN1[*:1] CC(=O)N1CCC[C@@H](Cc2ccc(n[nH+]2)NCC[*:1])C1
ClCc1nc2cccnc2n1CCc1cccs1 c1csc(c1)C[*:1] ClCc1nc2cccnc2n1C[*:1]
ClCc1nc2cccnc2n1CCc1cccs1 c1csc(c1)[*:1] ClCc1nc2cccnc2n1CC[*:1]
CSCC[C@@H]([NH2+]Cc1cccnc1)C(=O)[O-] CSCC[*:1] O=C([O-])[C@H]([NH2+]Cc1cccnc1)[*:1]
CSCC[C@@H]([NH2+]Cc1cccnc1)C(=O)[O-] CSC[*:1] O=C([O-])[C@@H](C[*:1])[NH2+]Cc1cccnc1
CSCC[C@@H]([NH2+]Cc1cccnc1)C(=O)[O-] O=C([O-])[*:1] CSCC[C@@H]([NH2+]Cc1cccnc1)[*:1]
CC(=O)c1cccc(NC(=O)CSC2=NC(=O)[C@H]3SC(=S)N(c4ccccc4C)C3=N2)c1 Cc1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=O)CSC1=NC(=O)[C@H]2SC(=S)N(C2=N1)[*:1]
CC(=O)c1cccc(NC(=O)CSC2=NC(=O)[C@H]3SC(=S)N(c4ccccc4C)C3=N2)c1 CC(=O)[*:1] Cc1ccccc1N1C(=S)S[C@@H]2C(=O)N=C(N=C21)SCC(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)CSC2=NC(=O)[C@H]3SC(=S)N(c4ccccc4C)C3=N2)c1 CC(=O)c1cccc(c1)[*:1] Cc1ccccc1N1C(=S)S[C@@H]2C(=O)N=C(N=C21)SCC(=O)N[*:1]
C[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](C[NH2+]C1CCN(CC1)C(N)=O)O[*:1]
CC1CCN(c2nc3c(c(=O)[nH]2)C[NH+](Cc2c(F)cccc2F)CC3)CC1 Fc1cccc(F)c1C[*:1] CC1CCN(CC1)c1nc2CC[NH+](Cc2c(=O)[nH]1)[*:1]
CC1CCN(c2nc3c(c(=O)[nH]2)C[NH+](Cc2c(F)cccc2F)CC3)CC1 CC1CCN(CC1)[*:1] O=c1[nH]c(nc2CC[NH+](Cc3c(F)cccc3F)Cc21)[*:1]
CC1CCN(c2nc3c(c(=O)[nH]2)C[NH+](Cc2c(F)cccc2F)CC3)CC1 Fc1cccc(F)c1[*:1] CC1CCN(CC1)c1nc2CC[NH+](Cc2c(=O)[nH]1)C[*:1]
CC[C@H](C)[C@H](C(=O)Nc1nnc(N)s1)c1ccccc1 Nc1nnc(s1)[*:1] CC[C@H](C)[C@H](C(=O)N[*:1])c1ccccc1
CC[C@H](C)[C@H](C(=O)Nc1nnc(N)s1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](C(=O)Nc1nnc(N)s1)[*:1]
CC[C@H](C)[C@H](C(=O)Nc1nnc(N)s1)c1ccccc1 CC[C@H](C)[*:1] Nc1nnc(NC(=O)[C@H](c2ccccc2)[*:1])s1
C#CCOc1ccc(CN2CCC[C@H](c3nncn3C)C2)cc1 Cn1cnnc1[*:1] C#CCOc1ccc(cc1)CN1CCC[C@H](C1)[*:1]
C#CCOc1ccc(CN2CCC[C@H](c3nncn3C)C2)cc1 C#CC[*:1] Cn1cnnc1[C@H]1CCCN(Cc2ccc(cc2)O[*:1])C1
C#CCOc1ccc(CN2CCC[C@H](c3nncn3C)C2)cc1 C#CCO[*:1] Cn1cnnc1[C@H]1CCCN(Cc2ccc(cc2)[*:1])C1
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1CCC(=O)N1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)[C@@H]1CCC(=O)N1
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1CCC(=O)N1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)[C@@H]1CCC(=O)N1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1CCC(=O)N1 O=C1CC[C@H](N1)[*:1] C[C@H](Cc1cccs1)N(C)C(=O)[*:1]
O=[N+]([O-])c1ccc(-c2nc(CSCc3nnc(C4CC4)o3)co2)cc1 C1CC1c1nnc(o1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)CSC[*:1]
O=[N+]([O-])c1ccc(-c2nc(CSCc3nnc(C4CC4)o3)co2)cc1 O=[N+]([O-])[*:1] c1cc(ccc1-c1nc(co1)CSCc1nnc(o1)C1CC1)[*:1]
O=[N+]([O-])c1ccc(-c2nc(CSCc3nnc(C4CC4)o3)co2)cc1 C1CC1[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)CSCc1nnc(o1)[*:1]
CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)NC)c(Cl)c1 CNC(=O)[*:1] CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)NC)c(Cl)c1 CCCC[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)N[C@@H]1CCC[C@@H]1[*:1]
CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)NC)c(Cl)c1 CCC[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)N[C@@H]1CCC[C@@H]1C[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1ccc(F)c([N+](=O)[O-])c1 Fc1ccc(c(F)c1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])Nc1ccc(F)c(c1)[N+](=O)[O-]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1ccc(F)c(c1)[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])c1cc(ccc1F)[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)N[*:1]
CC1=C[C@@H]([C@@H]2NN=C3SC(c4ccccc4)=NN32)N=N1 c1ccc(cc1)[*:1] CC1=C[C@H](N=N1)[C@@H]1NN=C2SC(=NN21)[*:1]
Cc1ccccc1C[C@H](C[C@@H]1Cc2ccccc21)C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1C[C@H](C[C@@H]1Cc2ccccc21)[*:1]
Cc1ccccc1C[C@H](C[C@@H]1Cc2ccccc21)C(=O)[O-] Cc1ccccc1[*:1] O=C([O-])[C@@H](C[C@@H]1Cc2ccccc21)C[*:1]
CC(C)[NH2+]C[C@]1(c2ccccc2Cl)CCC[C@@H]1C CC(C)[*:1] C[C@H]1CCC[C@]1(C[NH2+][*:1])c1ccccc1Cl
CC(C)[S@](=O)c1ccc(C(=O)NCc2cccnc2-n2cccn2)cc1 c1cnn(c1)[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)NCc1cccnc1[*:1]
CC(C)[S@](=O)c1ccc(C(=O)NCc2cccnc2-n2cccn2)cc1 CC(C)[*:1] O=C(NCc1cccnc1-n1cccn1)c1ccc(cc1)[S@@](=O)[*:1]
C[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 O=[N+]([O-])[*:1] C[C@H]1CCCN(C1)c1ccc(c2cnccc12)[*:1]
CSC[C@@H]1CCN(c2cc[nH+]c(CN3CCN(C(C)=O)CC3)c2)C1 CSC[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N1CC[C@H](C1)[*:1]
CSC[C@@H]1CCN(c2cc[nH+]c(CN3CCN(C(C)=O)CC3)c2)C1 CSC[C@@H]1CCN(C1)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCC3CCN(C(=O)c4ccccn4)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccccn1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCC3CCN(C(=O)c4ccccn4)CC3)CC2=O)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NCC1CCN(CC1)C(=O)[*:1]
CCOc1ccc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 c1ncn(n1)[*:1] CCOc1ccc(cc1)C(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 CCO[*:1] C[C@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)[C@H](C)CC(=O)N[*:1]
C[C@@H]([NH2+][C@H](C)[C@@H]1COc2ccccc21)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])[C@@H]1COc2ccccc21
Cc1ccc(F)cc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] Cc1ccc(F)cc1C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(F)cc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 Cc1ccc(F)cc1[*:1] O=C(Nc1cccc(c1)OC[C@@H]1CCCO1)[*:1]
COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1 Fc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)Nc1ccc2oc(nc2c1)[*:1])OC
COc1ccc(CN2C(=O)COC[C@@H]2[C@H](O)c2ccc(NC(=O)C3CC3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)[C@@H](O)[C@H]1COCC(=O)N1C[*:1])C1CC1
COc1ccc(CN2C(=O)COC[C@@H]2[C@H](O)c2ccc(NC(=O)C3CC3)cc2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)[C@@H](O)[C@H]1COCC(=O)N1[*:1])C1CC1
COc1ccc(CN2C(=O)COC[C@@H]2[C@H](O)c2ccc(NC(=O)C3CC3)cc2)cc1 C1CC1[*:1] COc1ccc(cc1)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(CN2C(=O)COC[C@@H]2[C@H](O)c2ccc(NC(=O)C3CC3)cc2)cc1 O=C(N[*:1])C1CC1 COc1ccc(cc1)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(cc1)[*:1]
Cc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)no1 Cc1cc(no1)[*:1] O=C(Nc1nnc(o1)-c1ccc2OCOc2c1)[*:1]
CNC(=O)CN1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CC1 Fc1ccc(cc1)C[*:1] CNC(=O)CN1CCN(CC1)C(=O)c1cc2c(C)nn(c2s1)[*:1]
CNC(=O)CN1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CC1 Fc1ccc(cc1)[*:1] CNC(=O)CN1CCN(CC1)C(=O)c1cc2c(C)nn(C[*:1])c2s1
CNC(=O)CN1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CC1 CNC(=O)C[*:1] Cc1nn(Cc2ccc(F)cc2)c2sc(cc12)C(=O)N1CCN(CC1)[*:1]
CNC(=O)CN1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CC1 CNC(=O)[*:1] Cc1nn(Cc2ccc(F)cc2)c2sc(cc12)C(=O)N1CCN(CC1)C[*:1]
O=C(N[C@H]1COc2ccccc2C1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(N[C@H]1COc2ccccc2C1)N1CCN(CC1)[*:1]
CC(C)[C@H](NC(=O)NC[C@H](C)Oc1ccccc1)c1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] CC(C)[C@H](NC(=O)NC[C@H](C)Oc1ccccc1)[*:1]
CC(C)[C@H](NC(=O)NC[C@H](C)Oc1ccccc1)c1nnc2n1CCC2 c1ccc(cc1)O[*:1] CC(C)[C@H](NC(=O)NC[C@H](C)[*:1])c1nnc2CCCn21
CC(C)[C@H](NC(=O)NC[C@H](C)Oc1ccccc1)c1nnc2n1CCC2 CC(C)[*:1] C[C@@H](CNC(=O)N[C@H](c1nnc2CCCn21)[*:1])Oc1ccccc1
CC(C)[C@H](NC(=O)NC[C@H](C)Oc1ccccc1)c1nnc2n1CCC2 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)NC[C@H](C)O[*:1])c1nnc2CCCn21
CCN(CC)C(=O)c1ccccc1NC(=O)N(C)[C@@H](C)CC#N CCN(CC)C(=O)[*:1] C[C@@H](CC#N)N(C)C(=O)Nc1ccccc1[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)N(C)[C@@H](C)CC#N N#CC[*:1] CCN(CC)C(=O)c1ccccc1NC(=O)N(C)[C@@H](C)[*:1]
COC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CCN(C(=O)OC)C2 COC(=O)[*:1] COC(=O)N1CCc2c(C1)sc(NC(=O)/C=C/c1cccs1)c2[*:1]
COC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CCN(C(=O)OC)C2 c1csc(c1)[*:1] COC(=O)c1c(NC(=O)C=C[*:1])sc2CN(CCc21)C(=O)OC
COC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CCN(C(=O)OC)C2 C(=C[*:1])c1cccs1 COC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)C(=O)OC
O=C(NC1CCCCC1)c1cn2c(n1)CCCC2 C1CCC(CC1)[*:1] O=C(N[*:1])c1cn2CCCCc2n1
CCOC(=O)[C@H](/C(C)=N/NC(=O)OC)C(C)C CC(C)[*:1] CCOC(=O)[C@H](/C(C)=N/NC(=O)OC)[*:1]
CCOC(=O)[C@H](/C(C)=N/NC(=O)OC)C(C)C CCOC(=O)[*:1] COC(=O)N/N=C(\C)[C@H](C(C)C)[*:1]
CCCN(CC(=O)NC)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] CCCN(CC(=O)NC)C(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CCCN(CC(=O)NC)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 CNC(=O)[*:1] CCCN(C[*:1])C(=O)[C@H]1CCCN(C1)C(=O)NC1CCCC1
CCCN(CC(=O)NC)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 CCC[*:1] CNC(=O)CN(C(=O)[C@H]1CCCN(C1)C(=O)NC1CCCC1)[*:1]
CCCN(CC(=O)NC)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 CNC(=O)C[*:1] CCCN(C(=O)[C@H]1CCCN(C1)C(=O)NC1CCCC1)[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2SCc2nnnn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)c1ccccc1SCc1nnnn1[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2SCc2nnnn2-c2ccccc2)CC1 O=C(Nc1ccccc1)[*:1] O=C(c1ccccc1SCc1nnnn1-c1ccccc1)N1CCC(CC1)[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2SCc2nnnn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccccc1SCc1nnnn1-c1ccccc1
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2SCc2nnnn2-c2ccccc2)CC1 c1ccc(cc1)-n1nnnc1[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)c1ccccc1SC[*:1]
COc1ccc2cc(C(=O)N(Cc3ccc(C)o3)C(C)C)[nH]c2c1 Cc1ccc(o1)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N(C[*:1])C(C)C
COc1ccc2cc(C(=O)N(Cc3ccc(C)o3)C(C)C)[nH]c2c1 Cc1ccc(C[*:1])o1 COc1ccc2cc([nH]c2c1)C(=O)N(C(C)C)[*:1]
COc1ccc2cc(C(=O)N(Cc3ccc(C)o3)C(C)C)[nH]c2c1 CC(C)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N(Cc1ccc(C)o1)[*:1]
Cc1cccc(C2=CCN(C(=O)c3cnn(C)c3-n3cccc3)CC2)c1 Cc1cccc(c1)[*:1] Cn1ncc(C(=O)N2CC=C(CC2)[*:1])c1-n1cccc1
Cc1cccc(C2=CCN(C(=O)c3cnn(C)c3-n3cccc3)CC2)c1 c1ccn(c1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)c1cnn(C)c1[*:1]
O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cccnc1 O=[N+]([O-])[*:1] O=C(NCCc1ccccc1[*:1])NCc1cccnc1
O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cccnc1 c1cncc(c1)C[*:1] O=C(NCCc1ccccc1[N+](=O)[O-])N[*:1]
O=C(NCCc1ccccc1[N+](=O)[O-])NCc1cccnc1 c1cncc(c1)[*:1] O=C(NCCc1ccccc1[N+](=O)[O-])NC[*:1]
Cn1ccnc1CN1CCCN(C(=O)c2cccs2)CC1 Cn1ccnc1C[*:1] O=C(c1cccs1)N1CCCN(CC1)[*:1]
Cn1ccnc1CN1CCCN(C(=O)c2cccs2)CC1 Cn1ccnc1[*:1] O=C(c1cccs1)N1CCCN(CC1)C[*:1]
Cn1ccnc1CN1CCCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cn1ccnc1CN1CCCN(CC1)C(=O)[*:1]
Cc1nc(N)nc(N2CCC2)c1CCC(=O)[O-] O=C([O-])CC[*:1] Cc1nc(N)nc(c1[*:1])N1CCC1
Cc1nc(N)nc(N2CCC2)c1CCC(=O)[O-] O=C([O-])C[*:1] Cc1nc(N)nc(c1C[*:1])N1CCC1
Cc1nc(N)nc(N2CCC2)c1CCC(=O)[O-] O=C([O-])[*:1] Cc1nc(N)nc(c1CC[*:1])N1CCC1
Cc1nc(N)nc(N2CCC2)c1CCC(=O)[O-] C1CN(C1)[*:1] Cc1nc(N)nc(c1CCC(=O)[O-])[*:1]
Cc1cc(C(F)(F)F)nc(SCC(=O)c2ccc3c(c2)OCO3)n1 FC(F)(F)[*:1] Cc1cc(nc(n1)SCC(=O)c1ccc2OCOc2c1)[*:1]
O=C(c1ccc2[nH]ccc2c1)N1CCC(Cn2cc(C3CCCC3)nn2)CC1 C1CCC(C1)[*:1] O=C(c1ccc2[nH]ccc2c1)N1CCC(CC1)Cn1cc(nn1)[*:1]
O=C(c1ccc2[nH]ccc2c1)N1CCC(Cn2cc(C3CCCC3)nn2)CC1 c1cc2cc(ccc2[nH]1)[*:1] O=C(N1CCC(CC1)Cn1cc(nn1)C1CCCC1)[*:1]
CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 CCNC(=O)NC(=O)C[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccc1F)S[*:1]
CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 CCNC(=O)NC(=O)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccc1F)SC[*:1]
CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1[*:1]
CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 Fc1ccccc1[*:1] CCNC(=O)NC(=O)CSc1nnc(n1-c1ccc(C)cc1)[*:1]
Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(-c2nc([O-])c3cnn(C)c3n2)n1 Clc1ccc(O[*:1])c(Cl)c1 Cc1cc(NC(=O)C[*:1])n(n1)-c1nc([O-])c2cnn(C)c2n1
Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(-c2nc([O-])c3cnn(C)c3n2)n1 Clc1ccc(c(Cl)c1)[*:1] Cc1cc(NC(=O)CO[*:1])n(n1)-c1nc([O-])c2cnn(C)c2n1
Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(-c2nc([O-])c3cnn(C)c3n2)n1 Clc1ccc(OC[*:1])c(Cl)c1 Cc1cc(NC(=O)[*:1])n(n1)-c1nc([O-])c2cnn(C)c2n1
Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CNCC3)c(-n2cccn2)c1 c1cnn(c1)[*:1] Cc1cc(C)c(c(c1)[*:1])-c1c(C#N)c(N)nc2CCNCc21
Cc1cc2c(Cl)ncnc2n1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc2c(Cl)ncnc2n1S(=O)(=O)[*:1]
Cc1ccc(CCN(Cc2ccco2)C(=O)CC2(O)CCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(CC1(O)CCCC1)N(CC[*:1])Cc1ccco1
Cc1ccc(CCN(Cc2ccco2)C(=O)CC2(O)CCCC2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)CCN(C(=O)CC1(O)CCCC1)[*:1]
Cc1ccc(CCN(Cc2ccco2)C(=O)CC2(O)CCCC2)cc1 OC1(CCCC1)C[*:1] Cc1ccc(cc1)CCN(Cc1ccco1)C(=O)[*:1]
Cc1ccc(CCN(Cc2ccco2)C(=O)CC2(O)CCCC2)cc1 OC1(CCCC1)[*:1] Cc1ccc(cc1)CCN(Cc1ccco1)C(=O)C[*:1]
Cc1ccc(CCN(Cc2ccco2)C(=O)CC2(O)CCCC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CCN(C[*:1])C(=O)CC1(O)CCCC1
Cc1ccc(CCN(Cc2ccco2)C(=O)CC2(O)CCCC2)cc1 Cc1ccc(cc1)C[*:1] O=C(CC1(O)CCCC1)N(Cc1ccco1)C[*:1]
CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C(=O)[O-] FC(F)(F)[*:1] CC[C@@H](C)[C@@H](NC(=O)[*:1])C(=O)[O-]
CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)[*:1]
CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C(=O)[O-] CC[C@@H](C)[*:1] O=C([O-])[C@H](NC(=O)C(F)(F)F)[*:1]
COC(=O)[C@@H](CNC(=O)c1ccc(Cl)cc1)Oc1ccc(F)cc1 COC(=O)[*:1] O=C(NC[C@@H](Oc1ccc(F)cc1)[*:1])c1ccc(Cl)cc1
COC(=O)[C@@H](CNC(=O)c1ccc(Cl)cc1)Oc1ccc(F)cc1 Clc1ccc(cc1)[*:1] COC(=O)[C@@H](CNC(=O)[*:1])Oc1ccc(F)cc1
COC(=O)[C@@H](CNC(=O)c1ccc(Cl)cc1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H](CNC(=O)c1ccc(Cl)cc1)O[*:1]
COC(=O)[C@@H](CNC(=O)c1ccc(Cl)cc1)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] COC(=O)[C@@H](CNC(=O)c1ccc(Cl)cc1)[*:1]
CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccco3)cc2)c1C(F)(F)F c1coc(c1)[*:1] CCOC(=O)c1cnn(-c2ccc(cc2)NC(=O)[*:1])c1C(F)(F)F
CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccco3)cc2)c1C(F)(F)F CCOC(=O)[*:1] O=C(Nc1ccc(cc1)-n1ncc(c1C(F)(F)F)[*:1])c1ccco1
CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccco3)cc2)c1C(F)(F)F FC(F)(F)[*:1] CCOC(=O)c1cnn(-c2ccc(cc2)NC(=O)c2ccco2)c1[*:1]
CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccco3)cc2)c1C(F)(F)F O=C(N[*:1])c1ccco1 CCOC(=O)c1cnn(-c2ccc(cc2)[*:1])c1C(F)(F)F
Cc1nnc(NC(=O)c2coc(NC(=O)C3CC3)n2)s1 O=C(N[*:1])C1CC1 Cc1nnc(NC(=O)c2coc(n2)[*:1])s1
Cc1nnc(NC(=O)c2coc(NC(=O)C3CC3)n2)s1 C1CC1[*:1] Cc1nnc(NC(=O)c2coc(n2)NC(=O)[*:1])s1
Cc1nnc(NC(=O)c2coc(NC(=O)C3CC3)n2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])c1coc(n1)NC(=O)C1CC1
CN1CCN(Cc2csc(-c3ccoc3)n2)c2ccccc21 c1cc(co1)[*:1] CN1CCN(Cc2csc(n2)[*:1])c2ccccc21
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1nc(-c3ccsc3)no1)C2=O c1cc(cs1)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1nc(no1)[*:1])C2=O
C[NH2+]Cc1cc(Cl)c(OCCC(C)C)c(OC)c1 CC(C)[*:1] C[NH2+]Cc1cc(Cl)c(OCC[*:1])c(c1)OC
C[NH2+]Cc1cc(Cl)c(OCCC(C)C)c(OC)c1 CC(C)C[*:1] C[NH2+]Cc1cc(Cl)c(OC[*:1])c(c1)OC
C[NH2+]Cc1cc(Cl)c(OCCC(C)C)c(OC)c1 CC(C)CCO[*:1] C[NH2+]Cc1cc(Cl)c(c(c1)OC)[*:1]
C[NH2+]Cc1cc(Cl)c(OCCC(C)C)c(OC)c1 CC(C)CC[*:1] C[NH2+]Cc1cc(Cl)c(O[*:1])c(c1)OC
COc1ccc(NC(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)c(C)c1 O=C([O-])[*:1] COc1ccc(NC(=O)N[C@@H]2C=C[C@H](C2)[*:1])c(C)c1
COc1ccc([C@H](NC(=O)N2CCc3ccc(F)cc3C2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](C1CCOCC1)[*:1])N1CCc2ccc(F)cc2C1
COc1ccc([C@H](NC(=O)N2CCc3ccc(F)cc3C2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)N1CCc2ccc(F)cc2C1)[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(I)c2)n1 Cc1cc(C)n(n1)[*:1] O=C(C[*:1])NNC(=O)c1cccc(I)c1
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(I)c2)n1 Ic1cccc(c1)[*:1] Cc1cc(C)n(CC(=O)NNC(=O)[*:1])n1
CNC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1 c1ccn(c1)[*:1] CNC(=O)c1scc(-c2ccc(F)cc2)c1[*:1]
CNC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1 Fc1ccc(cc1)[*:1] CNC(=O)c1scc(c1-n1cccc1)[*:1]
CNC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1 CNC(=O)[*:1] Fc1ccc(cc1)-c1csc(c1-n1cccc1)[*:1]
Cc1ccc(-c2cc(NC(=O)CSc3nnc4ccccn34)on2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnc2ccccn12)Nc1cc(no1)[*:1]
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3N3CCCC3=O)c2n1 O=C1CCCN1[*:1] Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3[*:1])c2n1
CC(C)[NH2+]Cc1cncc(N2CCC[C@H]2C(C)C)n1 CC(C)[*:1] CC(C)[NH2+]Cc1cncc(n1)N1CCC[C@@H]1[*:1]
CC(C)[NH2+]Cc1cncc(N2CCC[C@H]2C(C)C)n1 CC(C)[*:1] CC(C)[C@@H]1CCCN1c1cncc(C[NH2+][*:1])n1
C[C@@H]1COC[C@@H](C)N1C(=O)CSc1nnnn1C Cn1nnnc1[*:1] C[C@@H]1COC[C@@H](C)N1C(=O)CS[*:1]
CC[C@@H](NC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])C(C)C CC(C)[*:1] CC[C@@H](NC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])[*:1]
CC[C@@H](NC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])C(C)C CC[C@@H](C(C)C)[*:1] O=C(N[C@H]1CCCCC[C@@H]1C(=O)[O-])N[*:1]
CC[C@@H](NC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])C(C)C O=C([O-])[*:1] CC[C@@H](NC(=O)N[C@H]1CCCCC[C@H]1[*:1])C(C)C
CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c3ccccc13)[NH2+]CC2 CCO[*:1] CCOc1cc2c(cc1[*:1])CC[NH2+][C@@H]2c1ccc(OC)c2ccccc12
CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c3ccccc13)[NH2+]CC2 CCO[*:1] CCOc1cc2CC[NH2+][C@@H](c2cc1[*:1])c1ccc(OC)c2ccccc12
CCC[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)CCO1 NC(=O)C[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1ccc(cc1)O[*:1]
CCC[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)CCO1 CCC[*:1] NC(=O)COc1ccc(cc1)C(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)CCO1 NC(=O)CO[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1ccc(cc1)[*:1]
CCC[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)cc2)CCO1 NC(=O)[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1ccc(cc1)OC[*:1]
O=C(CCNC(=O)c1nc2ccccn2n1)NCc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(CCNC(=O)c1nc2ccccn2n1)N[*:1]
O=C(CCNC(=O)c1nc2ccccn2n1)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCNC(=O)c1nc2ccccn2n1)NC[*:1]
CCCN(CC[NH2+]C)C[C@@H]1Cc2ccccc2S1 CCC[*:1] C[NH2+]CCN(C[C@@H]1Cc2ccccc2S1)[*:1]
Cn1cc(C(=O)NCc2ccon2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)NCc2ccon2)c(n1)[*:1]
Cn1cc(C(=O)NCc2ccon2)c(C(C)(C)C)n1 c1cc(no1)[*:1] Cn1cc(C(=O)NC[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)NCc2ccon2)c(C(C)(C)C)n1 c1cc(C[*:1])no1 Cn1cc(C(=O)N[*:1])c(n1)C(C)(C)C
COc1ccc([C@@H](CO)N(C)C(=O)Nc2cnc(-c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](CO)N(C)C(=O)Nc1cnc(s1)[*:1]
COc1ccc([C@@H](CO)N(C)C(=O)Nc2cnc(-c3ccccc3)s2)cc1 COc1ccc(cc1)[*:1] CN(C(=O)Nc1cnc(s1)-c1ccccc1)[C@H](CO)[*:1]
O=C(Nc1cc[nH]n1)[C@H]1CCCN(C(=O)C2CC2)C1 C1CC1[*:1] O=C(Nc1cc[nH]n1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1cc[nH]n1)[C@H]1CCCN(C(=O)C2CC2)C1 c1cc(n[nH]1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)C1CC1
Cc1nc(-c2cccc(NCc3cnn(C)c3C)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cc1c(cnn1C)CNc1cccc(c1)[*:1]
Cc1nc(-c2cccc(NCc3cnn(C)c3C)c2)n[nH]1 Cc1c(cnn1C)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)NC[*:1]
CC[C@H](C)N1C(=O)[C@](C)(CC)NC(=O)C[C@@H]1C CC[C@H](C)[*:1] CC[C@]1(C)NC(=O)C[C@H](C)N(C1=O)[*:1]
CC1CCN(c2cc(NC(=O)COc3ccc(C(C)C)cc3)ncn2)CC1 CC1CCN(CC1)[*:1] CC(C)c1ccc(cc1)OCC(=O)Nc1cc(ncn1)[*:1]
CC1CCN(c2cc(NC(=O)COc3ccc(C(C)C)cc3)ncn2)CC1 CC(C)[*:1] CC1CCN(CC1)c1cc(ncn1)NC(=O)COc1ccc(cc1)[*:1]
CC1CCN(c2cc(NC(=O)COc3ccc(C(C)C)cc3)ncn2)CC1 CC(C)c1ccc(cc1)[*:1] CC1CCN(CC1)c1cc(ncn1)NC(=O)CO[*:1]
C[n+]1c(NNC(=O)COCC(F)(F)F)sc2ccccc21 FC(F)(F)C[*:1] C[n+]1c(NNC(=O)CO[*:1])sc2ccccc21
C[n+]1c(NNC(=O)COCC(F)(F)F)sc2ccccc21 FC(F)(F)[*:1] C[n+]1c(NNC(=O)COC[*:1])sc2ccccc21
C[n+]1c(NNC(=O)COCC(F)(F)F)sc2ccccc21 FC(F)(F)COC[*:1] C[n+]1c(NNC(=O)[*:1])sc2ccccc21
C[n+]1c(NNC(=O)COCC(F)(F)F)sc2ccccc21 FC(F)(F)CO[*:1] C[n+]1c(NNC(=O)C[*:1])sc2ccccc21
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Cl)c1)c1ccncc1 Clc1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1[*:1])c1ccncc1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Cl)c1)c1ccncc1 c1cc(ccn1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(Cl)c2)N1CCCN1CCOCC1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Cl)c1)c1ccncc1 C(CN1CCOCC1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1cccc(Cl)c1)[*:1])c1ccncc1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Cl)c1)c1ccncc1 O=C(c1ccncc1)[*:1] O=C1C([O-])=C([C@H](c2cccc(Cl)c2)N1CCCN1CCOCC1)[*:1]
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Cl)c1)c1ccncc1 C1CN(CCO1)[*:1] O=C(C1=C([O-])C(=O)N(CCC[*:1])[C@H]1c1cccc(Cl)c1)c1ccncc1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Cl)c1)c1ccncc1 C1CN(CCO1)C[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1cccc(Cl)c1)c1ccncc1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Cl)c1)c1ccncc1 C1CN(CCO1)CC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(Cl)c1)c1ccncc1
CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)CN1CCCc2cc(Br)ccc21 CC(C)(C)[*:1] O=C(CN1CCCc2cc(Br)ccc21)N[C@H]1CCCc2c1cnn2[*:1]
Cc1ncsc1CCSc1nnc(-c2ccco2)n1CC(C)C CC(C)C[*:1] Cc1ncsc1CCSc1nnc(-c2ccco2)n1[*:1]
Cc1ncsc1CCSc1nnc(-c2ccco2)n1CC(C)C Cc1ncsc1[*:1] CC(C)Cn1c(nnc1-c1ccco1)SCC[*:1]
Cc1ncsc1CCSc1nnc(-c2ccco2)n1CC(C)C CC(C)[*:1] Cc1ncsc1CCSc1nnc(-c2ccco2)n1C[*:1]
Cc1ncsc1CCSc1nnc(-c2ccco2)n1CC(C)C Cc1ncsc1C[*:1] CC(C)Cn1c(nnc1-c1ccco1)SC[*:1]
Cc1ncsc1CCSc1nnc(-c2ccco2)n1CC(C)C c1coc(c1)[*:1] Cc1ncsc1CCSc1nnc(n1CC(C)C)[*:1]
Cc1ccnc(-n2nc(-c3ccccc3)nc2C2(C(N)=O)CC2)c1 c1ccc(cc1)[*:1] Cc1ccnc(c1)-n1nc(nc1C1(CC1)C(N)=O)[*:1]
Cc1ccnc(-n2nc(-c3ccccc3)nc2C2(C(N)=O)CC2)c1 NC(=O)C1(CC1)[*:1] Cc1ccnc(c1)-n1nc(nc1[*:1])-c1ccccc1
Cc1ccnc(-n2nc(-c3ccccc3)nc2C2(C(N)=O)CC2)c1 NC(=O)[*:1] Cc1ccnc(c1)-n1nc(nc1C1(CC1)[*:1])-c1ccccc1
Cc1ccnc(-n2nc(-c3ccccc3)nc2C2(C(N)=O)CC2)c1 Cc1ccnc(c1)[*:1] NC(=O)C1(CC1)c1nc(nn1[*:1])-c1ccccc1
CC(C)OCCCNC(=O)N[C@@H]1CCC[C@@H]1CO CC(C)OC[*:1] O=C(NCC[*:1])N[C@@H]1CCC[C@@H]1CO
CC(C)OCCCNC(=O)N[C@@H]1CCC[C@@H]1CO CC(C)OCC[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@@H]1CO
CC(C)OCCCNC(=O)N[C@@H]1CCC[C@@H]1CO CC(C)O[*:1] O=C(NCCC[*:1])N[C@@H]1CCC[C@@H]1CO
CC(C)OCCCNC(=O)N[C@@H]1CCC[C@@H]1CO CC(C)[*:1] O=C(NCCCO[*:1])N[C@@H]1CCC[C@@H]1CO
CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 c1cc2OCCOc2cc1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)N[*:1]
COCC[C@@H](C)C(=O)Nc1ccc2c(C)n[nH]c2c1 COCC[C@@H](C)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc2c(C)n[nH]c2c1 COCC[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc2c(C)n[nH]c2c1 COC[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[C@H](C)C[*:1]
CN1C(=O)C[C@@H](NC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)c2ccccc2C(F)(F)F)[C@H]1[*:1]
CN1C(=O)C[C@@H](NC(=O)c2ccccc2C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 FC(F)(F)[*:1] CN1C(=O)C[C@@H](NC(=O)c2ccccc2[*:1])[C@@H]1c1ccc(Cl)cc1
CCOC(OCC)[C@@H]([NH3+])CC1CCCC1 CCO[*:1] CCOC([C@@H]([NH3+])CC1CCCC1)[*:1]
CCOC(OCC)[C@@H]([NH3+])CC1CCCC1 C1CCC(C1)[*:1] CCOC(OCC)[C@@H]([NH3+])C[*:1]
Cc1cc(C(=O)OCc2ccc(Cl)cc2Cl)c2c(C)nn(C)c2n1 Clc1ccc(c(Cl)c1)[*:1] Cc1cc(C(=O)OC[*:1])c2c(C)nn(C)c2n1
COc1cccc(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N1CCN(CC1)[C@H]1CCS(=O)(=O)C1
O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CC[*:1])NNC(=S)NC(=O)c1ccccc1
O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1 c1ccc(cc1)C[*:1] O=C(C[*:1])NNC(=S)NC(=O)c1ccccc1
O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1ccccc1)NNC(=S)NC(=O)[*:1]
Cc1ccc2nc(NC3=NC(=O)[C@@H](CC(=O)[O-])N3)nc(C)c2c1 O=C([O-])[*:1] Cc1ccc2nc(nc(C)c2c1)NC1=NC(=O)[C@@H](C[*:1])N1
Cc1cccnc1CN1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C Brc1ccc(cc1)[*:1] Cc1cccnc1CN1CCO[C@@H]([C@@H]1C)[*:1]
Cc1cccnc1CN1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C Cc1cccnc1[*:1] C[C@H]1[C@@H](OCCN1C[*:1])c1ccc(Br)cc1
CC(C)(C)OC(=O)N1C(=O)N(CC#N)C(C)(C)C1=O N#CC[*:1] CC(C)(C)OC(=O)N1C(=O)N(C(C)(C)C1=O)[*:1]
CC(C)(C)OC(=O)N1C(=O)N(CC#N)C(C)(C)C1=O CC(C)(C)[*:1] CC1(C)C(=O)N(C(=O)O[*:1])C(=O)N1CC#N
CSCc1noc(CCC(=O)Nc2nc3c(cc2C#N)CCC3)n1 CSCc1noc(n1)[*:1] N#Cc1cc2CCCc2nc1NC(=O)CC[*:1]
CSCc1noc(CCC(=O)Nc2nc3c(cc2C#N)CCC3)n1 CSC[*:1] N#Cc1cc2CCCc2nc1NC(=O)CCc1nc(no1)[*:1]
N#Cc1ccc(COC(=O)c2nn(-c3ccccc3F)cc2Br)cc1 N#Cc1ccc(cc1)[*:1] O=C(OC[*:1])c1nn(cc1Br)-c1ccccc1F
N#Cc1ccc(COC(=O)c2nn(-c3ccccc3F)cc2Br)cc1 Fc1ccccc1[*:1] N#Cc1ccc(cc1)COC(=O)c1nn(cc1Br)[*:1]
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cccc2ccccc12 C1CC1[*:1] C[C@@H](Sc1nnc(C2CC2)n1[*:1])C(=O)Nc1cccc2ccccc12
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cccc2ccccc12 C1CC1[*:1] C[C@@H](Sc1nnc(n1C1CC1)[*:1])C(=O)Nc1cccc2ccccc12
CC(C)[C@@H](O)C[C@@H]1CCCCC[C@@H]1O CC(C)[*:1] O[C@H]1CCCCC[C@H]1C[C@H](O)[*:1]
NC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c2ccccc21 Fc1ccc(F)c(c1)[*:1] NC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[*:1])c2ccccc21
NC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c2ccccc21 NC(=O)[*:1] O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CC[C@@H](c2ccccc21)[*:1]
CC(C)(CN1CC(=O)N[C@@H](C2CC2)C1=O)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CN1CC(=O)N[C@H](C1=O)C1CC1)[*:1]
CC(C)(CN1CC(=O)N[C@@H](C2CC2)C1=O)S(C)(=O)=O C1CC1[*:1] CC(C)(CN1CC(=O)N[C@@H](C1=O)[*:1])S(C)(=O)=O
COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2cccnc2)c1C c1cncc(c1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2cccnc2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)N2CCC[C@@H]2c2cccnc2)c(C)c1[*:1]
Cc1nc(C2CCCC2)sc1C(=O)NC[C@H](c1cnn(C)c1)[NH+](C)C C1CCC(C1)[*:1] Cc1nc(sc1C(=O)NC[C@H](c1cnn(C)c1)[NH+](C)C)[*:1]
Cc1nc(C2CCCC2)sc1C(=O)NC[C@H](c1cnn(C)c1)[NH+](C)C Cn1cc(cn1)[*:1] Cc1nc(sc1C(=O)NC[C@H]([NH+](C)C)[*:1])C1CCCC1
CCCCCNC(=O)[C@H](C)Oc1ccc(C#N)c(F)c1 CCC[*:1] C[C@H](Oc1ccc(C#N)c(F)c1)C(=O)NCC[*:1]
CCCCCNC(=O)[C@H](C)Oc1ccc(C#N)c(F)c1 CCCC[*:1] C[C@H](Oc1ccc(C#N)c(F)c1)C(=O)NC[*:1]
CCCCCNC(=O)[C@H](C)Oc1ccc(C#N)c(F)c1 CCCCC[*:1] C[C@H](Oc1ccc(C#N)c(F)c1)C(=O)N[*:1]
Cc1ccccc1N[C@H](C(=O)[O-])c1cccc(C2CC2)c1 O=C([O-])[*:1] Cc1ccccc1N[C@H](c1cccc(c1)C1CC1)[*:1]
Cc1ccccc1N[C@H](C(=O)[O-])c1cccc(C2CC2)c1 Cc1ccccc1[*:1] O=C([O-])[C@@H](N[*:1])c1cccc(c1)C1CC1
Cc1ccccc1N[C@H](C(=O)[O-])c1cccc(C2CC2)c1 C1CC1[*:1] Cc1ccccc1N[C@H](C(=O)[O-])c1cccc(c1)[*:1]
C[C@H](Cn1cccn1)OC(=O)COc1ccc2ccccc2c1 c1cnn(c1)C[*:1] C[C@H](OC(=O)COc1ccc2ccccc2c1)[*:1]
C[C@H](Cn1cccn1)OC(=O)COc1ccc2ccccc2c1 c1cnn(c1)[*:1] C[C@H](C[*:1])OC(=O)COc1ccc2ccccc2c1
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2CCCn2cc[nH+]c2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CCCn2cc[nH+]c2)[C@@H]1[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2CCCn2cc[nH+]c2)cc1 C[C@H]1Cc2cc(ccc2O1)[*:1] Cc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CCCn1cc[nH+]c1
C[C@H](OC(=O)c1cccc(Nc2cnn(C)c2)c1)C(=O)Nc1ncc(Cl)cc1Cl Cn1cc(cn1)N[*:1] C[C@H](OC(=O)c1cccc(c1)[*:1])C(=O)Nc1ncc(Cl)cc1Cl
C[C@H](OC(=O)c1cccc(Nc2cnn(C)c2)c1)C(=O)Nc1ncc(Cl)cc1Cl Cn1cc(cn1)[*:1] C[C@H](OC(=O)c1cccc(c1)N[*:1])C(=O)Nc1ncc(Cl)cc1Cl
C[C@H](OC(=O)c1cccc(Nc2cnn(C)c2)c1)C(=O)Nc1ncc(Cl)cc1Cl Clc1cnc(c(Cl)c1)[*:1] C[C@H](OC(=O)c1cccc(c1)Nc1cnn(C)c1)C(=O)N[*:1]
CC(=O)[C@@H]1CCCCC1(C)C CC(=O)[*:1] CC1(C)CCCC[C@H]1[*:1]
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(COc1ccccc1[N+](=O)[O-])Nc1ccnc(n1)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccnc(-c2ccccc2)n1 O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])Nc1ccnc(n1)-c1ccccc1
Cc1cccc(C(=O)NCCc2csc(C(C)C)n2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C(=O)NCCc2csc(n2)C(C)C)c1[*:1]
Cc1cccc(C(=O)NCCc2csc(C(C)C)n2)c1[N+](=O)[O-] CC(C)[*:1] Cc1cccc(C(=O)NCCc2csc(n2)[*:1])c1[N+](=O)[O-]
Cc1ccc2nc(SCC(=O)NC(C)(C)C)n(C)c(=O)c2c1 CC(C)(C)[*:1] Cc1ccc2nc(SCC(=O)N[*:1])n(C)c(=O)c2c1
Cc1ccc2nc(SCC(=O)NC(C)(C)C)n(C)c(=O)c2c1 CC(C)(C)NC(=O)[*:1] Cc1ccc2nc(SC[*:1])n(C)c(=O)c2c1
O[C@H](CCNc1cc(-c2ccccc2)nc2ncnn12)c1ccccc1 O[C@H](c1ccccc1)[*:1] c1ccc(cc1)-c1cc(NCC[*:1])n2ncnc2n1
O[C@H](CCNc1cc(-c2ccccc2)nc2ncnn12)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](CCNc1cc(nc2ncnn12)[*:1])c1ccccc1
O[C@H](CCNc1cc(-c2ccccc2)nc2ncnn12)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](CCNc1cc(nc2ncnn12)-c1ccccc1)[*:1]
Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCN(Cc4ccccc4)CC3)=C2)cc1 Cc1ccc(cc1)[*:1] CN1C(=CC(=NS1(=O)=O)[*:1])C(=O)N1CCN(CC1)Cc1ccccc1
Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCN(Cc4ccccc4)CC3)=C2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C1C=C(C(=O)N2CCN(CC2)C[*:1])N(C)S(=O)(=O)N=1
Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCN(Cc4ccccc4)CC3)=C2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C1C=C(C(=O)N2CCN(CC2)[*:1])N(C)S(=O)(=O)N=1
Cc1cc(C)n2c(C[NH+](Cc3ccccc3)CC3CCOCC3)cnc2n1 C1CC(CCO1)[*:1] Cc1cc(C)n2c(cnc2n1)C[NH+](Cc1ccccc1)C[*:1]
Cc1cc(C)n2c(C[NH+](Cc3ccccc3)CC3CCOCC3)cnc2n1 C1CC(CCO1)C[*:1] Cc1cc(C)n2c(cnc2n1)C[NH+](Cc1ccccc1)[*:1]
Cc1cc(C)n2c(C[NH+](Cc3ccccc3)CC3CCOCC3)cnc2n1 c1ccc(cc1)C[*:1] Cc1cc(C)n2c(cnc2n1)C[NH+](CC1CCOCC1)[*:1]
Cc1cc(C)n2c(C[NH+](Cc3ccccc3)CC3CCOCC3)cnc2n1 c1ccc(cc1)[*:1] Cc1cc(C)n2c(cnc2n1)C[NH+](CC1CCOCC1)C[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 O=C(NC1CCCCC1)[*:1] Cc1cccc(C)c1NC(=O)C[NH+]1CCN(CC1)C[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] Cc1cccc(C)c1NC(=O)C[NH+]1CCN(CC1)CC(=O)N[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 Cc1cccc(C)c1[*:1] O=C(CN1CC[NH+](CC1)CC(=O)N[*:1])NC1CCCCC1
CCn1cc(C(=O)N(C)CC2CCCC2)cn1 C1CCC(C1)[*:1] CCn1cc(cn1)C(=O)N(C)C[*:1]
Cc1cccc(O[C@@H](C)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C
Cc1cccc(O[C@@H](C)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 O=C([O-])[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)N1CC[C@@H]([C@@H]1C)[*:1]
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)C)c(C)c1 CC(C)(C)[*:1] CCS(=O)(=O)[N-]c1ccc(c(C)c1)S(=O)(=O)N[*:1]
O=C1c2cnc(N3CCCCC3)nc2CN1CCC1=CCCCC1 C1CCN(CC1)[*:1] O=C1c2cnc(nc2CN1CCC1=CCCCC1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2c(-c3ccccc3Cl)oc3ccccc3c2=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] C[C@H](Oc1c(oc2ccccc2c1=O)-c1ccccc1Cl)C(=O)N[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2c(-c3ccccc3Cl)oc3ccccc3c2=O)cc1 Clc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@H](C)Oc1c(oc2ccccc2c1=O)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2c(-c3ccccc3Cl)oc3ccccc3c2=O)cc1 CC(=O)N[*:1] C[C@H](Oc1c(oc2ccccc2c1=O)-c1ccccc1Cl)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(NC(=O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(NC(=O)[C@@H]1CCCO1)c1ccc(cc1)[*:1]
CC(C)(NC(=O)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 C1CO[C@@H](C1)[*:1] CC(C)(NC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C(C)(C)CO1 c1ccc(cc1)OC[*:1] C[C@@H]1CN(C(=O)[C@@H]2CCCN(C2)C(=O)[*:1])C(C)(C)CO1
C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C(C)(C)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)[C@@H]2CCCN(C2)C(=O)CO[*:1])C(C)(C)CO1
C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C(C)(C)CO1 c1ccc(cc1)O[*:1] C[C@@H]1CN(C(=O)[C@@H]2CCCN(C2)C(=O)C[*:1])C(C)(C)CO1
CCCOc1c(C[NH2+][C@H]2CCC[C@@H](C)C2)cccc1OC CCC[*:1] COc1cccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c1O[*:1]
CCCOc1c(C[NH2+][C@H]2CCC[C@@H](C)C2)cccc1OC CCCO[*:1] COc1cccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c1[*:1]
Cn1cc(S(=O)(=O)NCC2CCC(C(=O)[O-])CC2)cn1 Cn1cc(cn1)[*:1] O=C([O-])C1CCC(CC1)CNS(=O)(=O)[*:1]
Cn1cc(S(=O)(=O)NCC2CCC(C(=O)[O-])CC2)cn1 O=C([O-])[*:1] Cn1cc(cn1)S(=O)(=O)NCC1CCC(CC1)[*:1]
CC[C@@H](NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)[*:1]
CC(=O)Nc1ccc(S[C@H](C)[C@H](C)O)cc1 CC(=O)N[*:1] C[C@H](O)[C@@H](C)Sc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S[C@H](C)[C@H](C)O)cc1 C[C@H](O)[*:1] CC(=O)Nc1ccc(cc1)S[C@H](C)[*:1]
CCc1onc(C)c1NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)NCC(C)(C)[NH2+][C@@H](C)[*:1]
CCc1onc(C)c1NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CCc1onc(C)c1NC(=O)NCC(C)(C)[NH2+][*:1]
CCc1onc(C)c1NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 CCc1onc(C)c1[*:1] C[C@H]([NH2+]C(C)(C)CNC(=O)N[*:1])c1ccccc1
O=C(N[C@@H](CCCO)c1ccccc1)c1cc(Cl)ccc1O c1ccc(cc1)[*:1] O=C(N[C@@H](CCCO)[*:1])c1cc(Cl)ccc1O
O=C(N[C@@H](CCCO)c1ccccc1)c1cc(Cl)ccc1O OCC[*:1] O=C(N[C@@H](C[*:1])c1ccccc1)c1cc(Cl)ccc1O
O=C(N[C@@H](CCCO)c1ccccc1)c1cc(Cl)ccc1O OCCC[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1cc(Cl)ccc1O
O=Cc1ccc(OCc2ccon2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=Cc1ccc(OCc2ccon2)c(c1)[*:1]
O=Cc1ccc(OCc2ccon2)c([N+](=O)[O-])c1 c1cc(no1)[*:1] O=Cc1ccc(OC[*:1])c(c1)[N+](=O)[O-]
O=Cc1ccc(OCc2ccon2)c([N+](=O)[O-])c1 c1cc(C[*:1])no1 O=Cc1ccc(O[*:1])c(c1)[N+](=O)[O-]
CC(C)c1ccc2nc3c(cc2c1)CN(Cc1ccccc1)CCO3 c1ccc(cc1)C[*:1] CC(C)c1ccc2nc3OCCN(Cc3cc2c1)[*:1]
CC(C)c1ccc2nc3c(cc2c1)CN(Cc1ccccc1)CCO3 c1ccc(cc1)[*:1] CC(C)c1ccc2nc3OCCN(Cc3cc2c1)C[*:1]
CC(C)c1ccc2nc3c(cc2c1)CN(Cc1ccccc1)CCO3 CC(C)[*:1] c1ccc(cc1)CN1CCOc2nc3ccc(cc3cc2C1)[*:1]
Cc1ccccc1NC(=O)CCN1CC[S@@](=O)C(C)(C)C1 Cc1ccccc1[*:1] CC1(C)CN(CCC(=O)N[*:1])CC[S@]1=O
COC(=O)c1cc([N+](=O)[O-])cn2ccnc12 O=[N+]([O-])[*:1] COC(=O)c1cc(cn2ccnc12)[*:1]
COC(=O)c1cc([N+](=O)[O-])cn2ccnc12 COC(=O)[*:1] O=[N+]([O-])c1cc(c2nccn2c1)[*:1]
COc1ccccc1CC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 COc1ccccc1[*:1] Cc1ccc(cc1)[C@H](NC(=O)C[*:1])c1ccccc1
COc1ccccc1CC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1CC(=O)N[C@H](c1ccccc1)[*:1]
COc1ccccc1CC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 c1ccc(cc1)[*:1] COc1ccccc1CC(=O)N[C@H](c1ccc(C)cc1)[*:1]
COc1ccc(CC(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2C(C)C)cc1OC COc1ccc(cc1OC)C[*:1] CC(C)c1ccccc1N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
COc1ccc(CC(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2C(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1[*:1]
COc1ccc(CC(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2C(C)C)cc1OC CC(C)c1ccccc1[*:1] COc1ccc(cc1OC)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
COc1ccc(CC(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2C(C)C)cc1OC COc1ccc(cc1OC)[*:1] CC(C)c1ccccc1N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
O=C(CCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCN(CC1)C(=O)[*:1])c1ccc(F)cc1
O=C(CCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N1CCN(CC1)C(=O)c1ccccc1
O=C(CCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)c1ccccc1
CC1(C)CC(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 Brc1ccccc1[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)Nc1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
CC1(C)CC(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 O=[N+]([O-])[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)Nc1ncnc(NNC(=O)c2ccccc2Br)c1[*:1]
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccccc3F)cc12 Fc1ccccc1[*:1] COc1ccc(OC)c2[nH]c(=O)c(cc12)CCNC(=O)[*:1]
CCC[NH2+]CC1(C[C@@H]2Cc3ccccc3S2)CCCC1 CCC[*:1] c1ccc2S[C@@H](Cc2c1)CC1(CCCC1)C[NH2+][*:1]
Cc1cc(NC(=S)N(Cc2ccccc2)Cc2ccncc2)ccc1Cl c1cc(ccn1)C[*:1] Cc1cc(ccc1Cl)NC(=S)N(Cc1ccccc1)[*:1]
Cc1cc(NC(=S)N(Cc2ccccc2)Cc2ccncc2)ccc1Cl c1ccc(cc1)[*:1] Cc1cc(ccc1Cl)NC(=S)N(Cc1ccncc1)C[*:1]
Cc1cc(NC(=S)N(Cc2ccccc2)Cc2ccncc2)ccc1Cl Cc1cc(ccc1Cl)[*:1] S=C(N[*:1])N(Cc1ccccc1)Cc1ccncc1
Cc1cc(NC(=S)N(Cc2ccccc2)Cc2ccncc2)ccc1Cl c1ccc(cc1)C[*:1] Cc1cc(ccc1Cl)NC(=S)N(Cc1ccncc1)[*:1]
Cc1cc(NC(=S)N(Cc2ccccc2)Cc2ccncc2)ccc1Cl c1cc(ccn1)[*:1] Cc1cc(ccc1Cl)NC(=S)N(Cc1ccccc1)C[*:1]
[NH3+]CC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 c1ccc(cc1)[*:1] [NH3+]CC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)OC[*:1]
[NH3+]CC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] [NH3+]CC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)O[*:1]
[NH3+]CC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 C1CC1[*:1] [NH3+]CC(=O)N([C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1)[*:1]
COC(=O)c1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c(C)s1 COC(=O)[*:1] Cc1sc(cc1C[NH+]1CCC(CC1)CC(=O)N1CCCC1)[*:1]
COC(=O)c1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c(C)s1 O=C(N1CCCC1)[*:1] COC(=O)c1cc(C[NH+]2CCC(CC2)C[*:1])c(C)s1
COC(=O)c1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c(C)s1 O=C(C[*:1])N1CCCC1 COC(=O)c1cc(C[NH+]2CCC(CC2)[*:1])c(C)s1
COCc1cc([N+](=O)[O-])ccc1NCc1nc(-c2ccccc2)cs1 O=[N+]([O-])[*:1] COCc1cc(ccc1NCc1nc(cs1)-c1ccccc1)[*:1]
COCc1cc([N+](=O)[O-])ccc1NCc1nc(-c2ccccc2)cs1 COC[*:1] O=[N+]([O-])c1ccc(NCc2nc(cs2)-c2ccccc2)c(c1)[*:1]
COCc1cc([N+](=O)[O-])ccc1NCc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] COCc1cc(ccc1NCc1nc(cs1)[*:1])[N+](=O)[O-]
C[C@H]1CCC[C@H](CNC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)C1 C[C@H]1CCC[C@@H](C1)C[*:1] O=C(N[*:1])N1CCC(CC1)OC[C@@H]1CCCCO1
C[C@H]1CCC[C@H](CNC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)C1 C[C@H]1CCC[C@H](C1)[*:1] O=C(NC[*:1])N1CCC(CC1)OC[C@@H]1CCCCO1
C[C@H]1CCC[C@H](CNC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)C1 C1CC[C@@H](C[*:1])OC1 C[C@H]1CCC[C@H](CNC(=O)N2CCC(CC2)O[*:1])C1
C[C@H]1CCC[C@H](CNC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)C1 C1CC[C@@H](CO[*:1])OC1 C[C@H]1CCC[C@H](CNC(=O)N2CCC(CC2)[*:1])C1
C[C@H]1CCC[C@H](CNC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)C1 C1CC[C@H](OC1)[*:1] C[C@H]1CCC[C@H](CNC(=O)N2CCC(CC2)OC[*:1])C1
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(N2C(=O)CCCC2=O)cc1 O=C1CCCC(=O)N1[*:1] CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cn1 Cc1ccc(cn1)[*:1] O=C(N[*:1])c1csc(Cc2ccccc2)n1
Cc1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cn1 c1ccc(cc1)C[*:1] Cc1ccc(cn1)NC(=O)c1csc(n1)[*:1]
Cc1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cn1 c1ccc(cc1)[*:1] Cc1ccc(cn1)NC(=O)c1csc(C[*:1])n1
CCCOc1ccc(Oc2cc(C(N)=[NH2+])ccn2)cc1 CCC[*:1] NC(=[NH2+])c1ccnc(c1)Oc1ccc(cc1)O[*:1]
CCCOc1ccc(Oc2cc(C(N)=[NH2+])ccn2)cc1 NC(=[NH2+])[*:1] CCCOc1ccc(cc1)Oc1cc(ccn1)[*:1]
CCCOc1ccc(Oc2cc(C(N)=[NH2+])ccn2)cc1 CCCO[*:1] NC(=[NH2+])c1ccnc(c1)Oc1ccc(cc1)[*:1]
CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1cccnc1 c1cncc(c1)[*:1] CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)N[*:1]
CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1cccnc1 CS(=O)(=O)N[*:1] O=C(Nc1cccnc1)N1CCCC[C@H]1C[*:1]
CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1cccnc1 CS(=O)(=O)NC[*:1] O=C(Nc1cccnc1)N1CCCC[C@H]1[*:1]
CC(=O)C1=CC(C(=O)N2CCO[C@@H](c3ccccc3)C2)=NC1 CC(=O)[*:1] O=C(C1C=C(CN=1)[*:1])N1CCO[C@H](C1)c1ccccc1
CC(=O)C1=CC(C(=O)N2CCO[C@@H](c3ccccc3)C2)=NC1 c1ccc(cc1)[*:1] CC(=O)C1=CC(=NC1)C(=O)N1CCO[C@@H](C1)[*:1]
CC[C@@H](CC(=O)NOCC(N)=O)C(C)C NC(=O)[*:1] CC[C@@H](CC(=O)NOC[*:1])C(C)C
CC[C@@H](CC(=O)NOCC(N)=O)C(C)C NC(=O)C[*:1] CC[C@@H](CC(=O)NO[*:1])C(C)C
CC[C@@H](CC(=O)NOCC(N)=O)C(C)C CC(C)[*:1] CC[C@@H](CC(=O)NOCC(N)=O)[*:1]
CCc1ncc(CN(C)C(=O)c2ccc(OC(C)C)nc2)s1 CCc1ncc(s1)[*:1] CC(C)Oc1ccc(cn1)C(=O)N(C)C[*:1]
CCc1ncc(CN(C)C(=O)c2ccc(OC(C)C)nc2)s1 CC(C)[*:1] CCc1ncc(CN(C)C(=O)c2ccc(nc2)O[*:1])s1
CCc1ncc(CN(C)C(=O)c2ccc(OC(C)C)nc2)s1 CC(C)O[*:1] CCc1ncc(CN(C)C(=O)c2ccc(nc2)[*:1])s1
CCN1C[C@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O Cc1cccc(c1)[*:1] CCN1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
CCN1C[C@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O Cc1cccc(c1)C[*:1] CCN1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
COC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 COC(=O)[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 CC[C@H](C)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)N[*:1]
CC[C@H](C)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CC[C@H](C)NC(=O)NCCc1ccc(cc1)[*:1]
CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC CC[C@@H](C)[*:1] CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[*:1]
CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC CC(C)(C)[*:1] CCNC(=O)[C@@H](NC(=O)O[*:1])[C@H](C)CC
CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC CCNC(=O)[*:1] CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)[*:1]
C[NH2+][C@@H](C)c1ccn(CCC(F)(F)F)c1 FC(F)(F)[*:1] C[NH2+][C@@H](C)c1ccn(c1)CC[*:1]
C[NH2+][C@@H](C)c1ccn(CCC(F)(F)F)c1 FC(F)(F)C[*:1] C[NH2+][C@@H](C)c1ccn(c1)C[*:1]
CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 CS(=O)(=O)N[*:1] O=S(=O)(Nc1cccc2ccccc12)c1ccc(cc1)[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@H]1[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@H]1c1ccncc1 c1ccc(cc1)[*:1] Cc1nc(C[*:1])sc1C(=O)N1CCC[C@@H]1c1ccncc1
Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@H]1c1ccncc1 c1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)N1CCC[C@@H]1c1ccncc1)[*:1]
CC(C)(C)N1CCN(C(=O)CCCC(=O)[O-])CC1 CC(C)(C)[*:1] O=C([O-])CCCC(=O)N1CCN(CC1)[*:1]
CC(C)(C)N1CCN(C(=O)CCCC(=O)[O-])CC1 O=C([O-])CC[*:1] CC(C)(C)N1CCN(CC1)C(=O)C[*:1]
CC(C)(C)N1CCN(C(=O)CCCC(=O)[O-])CC1 O=C([O-])C[*:1] CC(C)(C)N1CCN(CC1)C(=O)CC[*:1]
CC(C)(C)N1CCN(C(=O)CCCC(=O)[O-])CC1 O=C([O-])[*:1] CC(C)(C)N1CCN(CC1)C(=O)CCC[*:1]
CC(C)(C)N1CCN(C(=O)CCCC(=O)[O-])CC1 O=C([O-])CCC[*:1] CC(C)(C)N1CCN(CC1)C(=O)[*:1]
CCCCCn1nc(C(=O)N2CC[C@H](O)C2)c2ccccc2c1=O CCCC[*:1] O=C(c1nn(C[*:1])c(=O)c2ccccc12)N1CC[C@H](O)C1
CCCCCn1nc(C(=O)N2CC[C@H](O)C2)c2ccccc2c1=O CCC[*:1] O=C(c1nn(CC[*:1])c(=O)c2ccccc12)N1CC[C@H](O)C1
CCCCCn1nc(C(=O)N2CC[C@H](O)C2)c2ccccc2c1=O O=C(N1CC[C@H](O)C1)[*:1] CCCCCn1nc(c2ccccc2c1=O)[*:1]
CCCCCn1nc(C(=O)N2CC[C@H](O)C2)c2ccccc2c1=O CCCCC[*:1] O=C(c1nn(c(=O)c2ccccc12)[*:1])N1CC[C@H](O)C1
CN(C)C(=O)c1cc(NC(=O)COCc2ccccc2Cl)ccc1F Clc1ccccc1C[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)CO[*:1]
CN(C)C(=O)c1cc(NC(=O)COCc2ccccc2Cl)ccc1F Clc1ccccc1[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)COC[*:1]
CN(C)C(=O)c1cc(NC(=O)COCc2ccccc2Cl)ccc1F CN(C)C(=O)[*:1] O=C(COCc1ccccc1Cl)Nc1ccc(F)c(c1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ncncc3Cl)CC2)cc1 Clc1cncnc1[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ncncc3Cl)CC2)cc1 CCO[*:1] O=C(c1ncncc1Cl)N1CC=C(CC1)c1ccc(cc1)[*:1]
O=C(C=C(C1CC1)C1CC1)Nc1nc(CN2CCOCC2)cs1 C1CN(CCO1)[*:1] O=C(C=C(C1CC1)C1CC1)Nc1nc(cs1)C[*:1]
O=C(C=C(C1CC1)C1CC1)Nc1nc(CN2CCOCC2)cs1 C1CN(CCO1)C[*:1] O=C(C=C(C1CC1)C1CC1)Nc1nc(cs1)[*:1]
O=C(C=C(C1CC1)C1CC1)Nc1nc(CN2CCOCC2)cs1 C1CC1[*:1] O=C(C=C(C1CC1)[*:1])Nc1nc(cs1)CN1CCOCC1
C[C@@H](Cc1ccc(Br)cc1F)[C@H](C)[NH2+]C1CC1 C1CC1[*:1] C[C@@H](Cc1ccc(Br)cc1F)[C@H](C)[NH2+][*:1]
C[C@@H](CCCO)NC(=O)N1CCN(c2ncnc3sccc23)CC1 OCC[*:1] C[C@@H](C[*:1])NC(=O)N1CCN(CC1)c1ncnc2sccc12
C[C@@H](CCCO)NC(=O)N1CCN(c2ncnc3sccc23)CC1 OCCC[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ncnc2sccc12)[*:1]
C[C@@H](CCCO)NC(=O)N1CCN(c2ncnc3sccc23)CC1 C[C@@H](CCCO)[*:1] O=C(N[*:1])N1CCN(CC1)c1ncnc2sccc12
C[C@H](C1CC1)N(C)C(=O)c1cccc(C[S@@](C)=O)c1 C[S@@](=O)C[*:1] C[C@H](C1CC1)N(C)C(=O)c1cccc(c1)[*:1]
C[C@H](C1CC1)N(C)C(=O)c1cccc(C[S@@](C)=O)c1 C[C@H](C1CC1)[*:1] CN(C(=O)c1cccc(c1)C[S@@](C)=O)[*:1]
C[C@H](C1CC1)N(C)C(=O)c1cccc(C[S@@](C)=O)c1 C[S@@](=O)[*:1] C[C@H](C1CC1)N(C)C(=O)c1cccc(c1)C[*:1]
C[C@H](C1CC1)N(C)C(=O)c1cccc(C[S@@](C)=O)c1 C1CC1[*:1] C[C@H](N(C)C(=O)c1cccc(c1)C[S@@](C)=O)[*:1]
Cn1nccc1CNC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 Fc1ccc(cc1)C[*:1] Cn1nccc1CNC(=O)Nc1cccc(c1)O[*:1]
Cn1nccc1CNC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 Cn1nccc1C[*:1] O=C(Nc1cccc(c1)OCc1ccc(F)cc1)N[*:1]
Cn1nccc1CNC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 Cn1nccc1[*:1] O=C(NC[*:1])Nc1cccc(c1)OCc1ccc(F)cc1
Cn1nccc1CNC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cn1nccc1CNC(=O)Nc1cccc(c1)OC[*:1]
CC1(C)CC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)c2ccccc21 NS(=O)(=O)[*:1] CC1(C)CC[C@@H](CNC(=O)c2coc(c2)[*:1])c2ccccc21
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3cccc(F)c3)CC2)cc1 CC(=O)N[*:1] O=C(Cc1cccc(F)c1)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3cccc(F)c3)CC2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(Cc1cccc(F)c1)NC1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3cccc(F)c3)CC2)cc1 Fc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)C[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3cccc(F)c3)CC2)cc1 Fc1cccc(c1)C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1ccc(C(=O)CCC(=O)N(C)c2ccc(Cl)cn2)s1 Cc1ccc(s1)[*:1] CN(C(=O)CCC(=O)[*:1])c1ccc(Cl)cn1
Cc1ccc(C(=O)CCC(=O)N(C)c2ccc(Cl)cn2)s1 Clc1ccc(nc1)[*:1] Cc1ccc(s1)C(=O)CCC(=O)N(C)[*:1]
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(Cl)cc1Cl O=C(N[*:1])c1ccco1 COc1ccc(cc1NC(=O)c1ccc(Cl)cc1Cl)[*:1]
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(Cl)cc1Cl c1coc(c1)[*:1] COc1ccc(cc1NC(=O)c1ccc(Cl)cc1Cl)NC(=O)[*:1]
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1NC(=O)[*:1])NC(=O)c1ccco1
O=C(c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cnn2c1N[C@@H](C[C@H]2C(F)(F)F)c1ccccc1)N1CC[NH+](CC1)[*:1]
O=C(c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cnn2c1N[C@@H](C[C@H]2C(F)(F)F)c1ccccc1)N1CC[NH+](CC1)C[*:1]
O=C(c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 FC(F)(F)[*:1] O=C(c1cnn2c1N[C@@H](C[C@@H]2[*:1])c1ccccc1)N1CC[NH+](CC1)Cc1ccccc1
O=C(c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)[*:1])N1CC[NH+](CC1)Cc1ccccc1
COc1ccc([C@@H]2CC(=O)c3cc(C(=O)NCc4ccc(C)cc4)c(=O)[nH]c3C2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)c2cc(C(=O)NC[*:1])c(=O)[nH]c2C1
COc1ccc([C@@H]2CC(=O)c3cc(C(=O)NCc4ccc(C)cc4)c(=O)[nH]c3C2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)c1cc2C(=O)C[C@H](Cc2[nH]c1=O)[*:1]
COc1ccc([C@@H]2CC(=O)c3cc(C(=O)NCc4ccc(C)cc4)c(=O)[nH]c3C2)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H]1CC(=O)c2cc(C(=O)N[*:1])c(=O)[nH]c2C1
CCN(CC(C)(C)O)C(=O)Cc1ccc(C[NH3+])cc1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)Cc1ccc(cc1)C[NH3+]
CCN(CC(C)(C)O)C(=O)Cc1ccc(C[NH3+])cc1 CC(C)(O)C[*:1] CCN(C(=O)Cc1ccc(cc1)C[NH3+])[*:1]
Cc1ccsc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1cccc(C)c1C CC(C)(C)NC(=O)[*:1] Cc1ccsc1[C@@H](N(C(=O)c1csnn1)c1cccc(C)c1C)[*:1]
Cc1ccsc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1cccc(C)c1C CC(C)(C)[*:1] Cc1ccsc1[C@@H](C(=O)N[*:1])N(C(=O)c1csnn1)c1cccc(C)c1C
Cc1ccsc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1cccc(C)c1C Cc1ccsc1[*:1] Cc1cccc(c1C)N(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)[*:1]
Cc1ccsc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1cccc(C)c1C Cc1cccc(c1C)[*:1] Cc1ccsc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)[*:1]
Cc1ccsc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1cccc(C)c1C c1snnc1[*:1] Cc1ccsc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)[*:1])c1cccc(C)c1C
CC(=O)Nc1nc(C(=O)O[C@H](c2ccccc2)c2nccs2)cs1 c1csc(n1)[*:1] CC(=O)Nc1nc(cs1)C(=O)O[C@H](c1ccccc1)[*:1]
CC(=O)Nc1nc(C(=O)O[C@H](c2ccccc2)c2nccs2)cs1 CC(=O)N[*:1] O=C(O[C@H](c1ccccc1)c1nccs1)c1csc(n1)[*:1]
CC(=O)Nc1nc(C(=O)O[C@H](c2ccccc2)c2nccs2)cs1 c1ccc(cc1)[*:1] CC(=O)Nc1nc(cs1)C(=O)O[C@H](c1nccs1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)C1 Fc1cccc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)C1 CCOC(=O)[*:1] O=C([C@@H]1CC(=O)N(C1)c1cccc(F)c1)N1CCC[C@@H](C1)[*:1]
N#Cc1ccc(OC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 O=[N+]([O-])[*:1] N#Cc1ccc(cc1)OC[C@@H](O)Cn1cc(cn1)[*:1]
Cc1cc(F)cc(NC[C@@H](O)CO[C@H]2CCC[C@H](C)C2)c1 C[C@H]1CCC[C@@H](C1)[*:1] Cc1cc(F)cc(c1)NC[C@@H](O)CO[*:1]
CC(C)c1ccc2c(c1)C[NH2+]CCC2 CC(C)[*:1] c1cc2CCC[NH2+]Cc2cc1[*:1]
COc1ccc(NC(=O)c2n[nH]c(C(C)C)n2)cc1C CC(C)[*:1] COc1ccc(cc1C)NC(=O)c1n[nH]c(n1)[*:1]
CCC(CC)N(CC[NH3+])c1ncc(Cl)cc1F CCC(CC)[*:1] [NH3+]CCN(c1ncc(Cl)cc1F)[*:1]
CC/[NH+]=C(/NCc1cccc(-c2nc[nH]n2)c1)N1CCc2ccccc21 c1nc(n[nH]1)[*:1] CC/[NH+]=C(/NCc1cccc(c1)[*:1])N1CCc2ccccc21
CCOC(=O)O[C@@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 CCOC(=O)O[*:1] C[C@@]1(O[C@@H](C=CC1=O)[*:1])c1ccc(cc1)-c1ccccc1
CCOC(=O)O[C@@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 c1ccc(cc1)[*:1] CCOC(=O)O[C@@H]1C=CC(=O)[C@](C)(O1)c1ccc(cc1)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1CCCO1)C(C)C C1CO[C@H](C1)C[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N[*:1])C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1CCCO1)C(C)C C1CO[C@H](C1)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)NC[*:1])C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1CCCO1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NC[C@H]1CCCO1
Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1CCCO1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1CCCO1)[*:1]
O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Nc1c2CCCc2nn1-c1ccccc1)[*:1]
O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(Nc1c2CCCc2nn1[*:1])c1ccc(Br)cc1
CC(=O)NCc1ccc(-c2csc(C3CC3)n2)s1 CC(=O)NC[*:1] c1sc(nc1-c1ccc(s1)[*:1])C1CC1
CC(=O)NCc1ccc(-c2csc(C3CC3)n2)s1 C1CC1[*:1] CC(=O)NCc1ccc(s1)-c1csc(n1)[*:1]
CC(=O)NCc1ccc(-c2csc(C3CC3)n2)s1 CC(=O)N[*:1] c1sc(nc1-c1ccc(C[*:1])s1)C1CC1
CN1C(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2C1=O O=[N+]([O-])[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1cc(ccc1O)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](N(C)Cc2[nH+]ccn2C)C1 Cn1cc[nH+]c1[*:1] CC[NH2+][C@]1(CC[C@H](C1)N(C)C[*:1])C(=O)[O-]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](N(C)Cc2[nH+]ccn2C)C1 O=C([O-])[*:1] CC[NH2+][C@]1(CC[C@H](C1)N(C)Cc1[nH+]ccn1C)[*:1]
COC(=O)CCN(C(=O)c1cccc2ccccc12)C(C)C CC(C)[*:1] COC(=O)CCN(C(=O)c1cccc2ccccc12)[*:1]
COC(=O)CCN(C(=O)c1cccc2ccccc12)C(C)C COC(=O)C[*:1] CC(C)N(C[*:1])C(=O)c1cccc2ccccc12
COC(=O)CCN(C(=O)c1cccc2ccccc12)C(C)C COC(=O)CC[*:1] CC(C)N(C(=O)c1cccc2ccccc12)[*:1]
COC(=O)CCN(C(=O)c1cccc2ccccc12)C(C)C COC(=O)[*:1] CC(C)N(CC[*:1])C(=O)c1cccc2ccccc12
[NH3+][C@]1(C(=O)[O-])CCC[C@@H]1CCn1cc(I)cn1 O=C([O-])[*:1] [NH3+][C@@]1(CCC[C@@H]1CCn1cc(I)cn1)[*:1]
C[C@H](OC(=O)/C=C/c1c(Cl)nc2ccccn12)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@H](OC(=O)/C=C/c1c(Cl)nc2ccccn12)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](C)C1 CCS(=O)(=O)[*:1] C[C@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
CC1CC(=O)N(C[C@@H]2CC[C@H](C(=O)NN)O2)C(=O)C1 NNC(=O)[*:1] CC1CC(=O)N(C[C@@H]2CC[C@H](O2)[*:1])C(=O)C1
O=C(c1cnc(N2CCC(O)CC2)c(Cl)c1)N1CCCCC1 OC1CCN(CC1)[*:1] O=C(c1cnc(c(Cl)c1)[*:1])N1CCCCC1
COc1ncccc1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 COc1ncccc1[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCOc2c1
COc1ncccc1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 c1cc2OCOc2cc1[*:1] COc1ncccc1CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ncccc1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 COc1ncccc1C[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCOc2c1
COC(=O)C[C@H]1C(=O)NCCN1c1ncnc2ccsc12 COC(=O)C[*:1] O=C1NCCN(c2ncnc3ccsc23)[C@H]1[*:1]
COC(=O)C[C@H]1C(=O)NCCN1c1ncnc2ccsc12 COC(=O)[*:1] O=C1NCCN(c2ncnc3ccsc23)[C@H]1C[*:1]
N#C/C(=C\Nc1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 Brc1cccc(c1)N[*:1] N#CC(=C[*:1])c1nc(cs1)-c1ccc(Cl)cc1
N#C/C(=C\Nc1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 Brc1cccc(c1)[*:1] N#C/C(=C\N[*:1])c1nc(cs1)-c1ccc(Cl)cc1
N#C/C(=C\Nc1cccc(Br)c1)c1nc(-c2ccc(Cl)cc2)cs1 Clc1ccc(cc1)[*:1] N#C/C(=C\Nc1cccc(Br)c1)c1nc(cs1)[*:1]
C[C@@H]1CCN(C(=O)c2ccccc2OCCOc2ccccc2)C[C@H]1O c1ccc(cc1)O[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1ccccc1OCC[*:1]
C[C@@H]1CCN(C(=O)c2ccccc2OCCOc2ccccc2)C[C@H]1O c1ccc(cc1)OC[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1ccccc1OC[*:1]
C[C@@H]1CCN(C(=O)c2ccccc2OCCOc2ccccc2)C[C@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1ccccc1OCCO[*:1]
C/C=C/c1ccc(OCc2nc(C(C)(C)C)no2)c(OC)c1 CC(C)(C)[*:1] C/C=C/c1ccc(OCc2nc(no2)[*:1])c(c1)OC
C/C=C/c1ccc(OCc2nc(C(C)(C)C)no2)c(OC)c1 CC=C[*:1] COc1cc(ccc1OCc1nc(no1)C(C)(C)C)[*:1]
O=C(CSCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSCC(F)(F)F)N1CCC(CC1)C[*:1]
O=C(CSCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 FC(F)(F)[*:1] O=C(CSC[*:1])N1CCC(CC1)Cc1ccccc1
O=C(CSCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CSCC(F)(F)F)N1CCC(CC1)[*:1]
O=C(CSCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 FC(F)(F)CSC[*:1] O=C(N1CCC(CC1)Cc1ccccc1)[*:1]
O=C(CSCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 FC(F)(F)CS[*:1] O=C(C[*:1])N1CCC(CC1)Cc1ccccc1
O=C(CSCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 FC(F)(F)C[*:1] O=C(CS[*:1])N1CCC(CC1)Cc1ccccc1
COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4ccno4)oc3C)CC2)c1 COc1cccc(c1)[*:1] Cc1oc(cc1S(=O)(=O)N1CCN(CC1)[*:1])-c1ccno1
COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4ccno4)oc3C)CC2)c1 c1cc(on1)[*:1] COc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1cc(oc1C)[*:1]
CN(C)C(=O)CN(C)C(=O)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CN(C)C(=O)CN(C)C(=O)Cc1coc(n1)[*:1]
CN(C)C(=O)CN(C)C(=O)Cc1coc(-c2ccccc2)n1 CN(C)C(=O)C[*:1] CN(C(=O)Cc1coc(n1)-c1ccccc1)[*:1]
CN(C)C(=O)CN(C)C(=O)Cc1coc(-c2ccccc2)n1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)Cc1coc(n1)-c1ccccc1
Cc1c(C)n(-c2cccnc2)c2ncn3nc(-c4ccncc4)nc3c12 c1cc(ccn1)[*:1] Cc1c(C)n(-c2cccnc2)c2ncn3nc(nc3c12)[*:1]
Cc1c(C)n(-c2cccnc2)c2ncn3nc(-c4ccncc4)nc3c12 c1cncc(c1)[*:1] Cc1c(C)n(c2ncn3nc(nc3c12)-c1ccncc1)[*:1]
CCOC(=O)c1cccc(NC(=O)CSc2nc3cccnc3[nH]2)c1 CCOC(=O)[*:1] O=C(CSc1nc2cccnc2[nH]1)Nc1cccc(c1)[*:1]
C[C@H](c1cccnc1)N(C)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] C[C@H](c1cccnc1)N(C)C(=O)c1ccc(cc1)CNC(=O)[*:1]
C[C@H](c1cccnc1)N(C)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 O=C(NC[*:1])C1CCCC1 C[C@H](c1cccnc1)N(C)C(=O)c1ccc(cc1)[*:1]
C[C@H](c1cccnc1)N(C)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 c1cncc(c1)[*:1] C[C@H](N(C)C(=O)c1ccc(cc1)CNC(=O)C1CCCC1)[*:1]
C[C@H](c1cccnc1)N(C)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 O=C(N[*:1])C1CCCC1 C[C@H](c1cccnc1)N(C)C(=O)c1ccc(cc1)C[*:1]
CC[NH2+][C@H](Cc1nccn1C)C1CCCC1 C1CCC(C1)[*:1] CC[NH2+][C@H](Cc1nccn1C)[*:1]
Cc1noc(NC(=O)CSc2nc3ccccc3[nH]2)n1 Cc1noc(n1)[*:1] O=C(CSc1nc2ccccc2[nH]1)N[*:1]
CCCN(CC)[C@@H](C[NH3+])c1cc(Br)ccc1F CCC[*:1] CCN([C@@H](C[NH3+])c1cc(Br)ccc1F)[*:1]
CN(Cc1ccc(Br)s1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C Brc1ccc(C[*:1])s1 CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[*:1]
CN(Cc1ccc(Br)s1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C Brc1ccc(s1)[*:1] CN(C[*:1])C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)n1N c1ccc(cc1)S[*:1] Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2[*:1])n1N
Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)n1N Cc1nnc(S[*:1])n1N C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[*:1]
Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)n1N Cc1nnc(n1N)[*:1] C[C@H](S[*:1])C(=O)Nc1ccccc1Sc1ccccc1
Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)n1N c1ccc(cc1)[*:1] Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2S[*:1])n1N
O=C(On1ccccc1=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(On1ccccc1=O)c1ccc(cc1)[*:1]
COCCN(Cc1ccccn1)C(=O)NCc1cn2c(C)cccc2[nH+]1 COC[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N(Cc1ccccn1)C[*:1]
COCCN(Cc1ccccn1)C(=O)NCc1cn2c(C)cccc2[nH+]1 COCC[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N(Cc1ccccn1)[*:1]
COCCN(Cc1ccccn1)C(=O)NCc1cn2c(C)cccc2[nH+]1 c1ccc(nc1)[*:1] COCCN(C[*:1])C(=O)NCc1cn2c(C)cccc2[nH+]1
COCCN(Cc1ccccn1)C(=O)NCc1cn2c(C)cccc2[nH+]1 c1ccc(C[*:1])nc1 COCCN(C(=O)NCc1cn2c(C)cccc2[nH+]1)[*:1]
COC(=O)c1cc(OC[C@H]2CCOC2)cc(C)c1N C1C[C@@H](CO1)C[*:1] COC(=O)c1cc(cc(C)c1N)O[*:1]
COC(=O)c1cc(OC[C@H]2CCOC2)cc(C)c1N C1C[C@@H](CO1)[*:1] COC(=O)c1cc(cc(C)c1N)OC[*:1]
COC(=O)c1cc(OC[C@H]2CCOC2)cc(C)c1N COC(=O)[*:1] Cc1cc(cc(c1N)[*:1])OC[C@H]1CCOC1
OCCOc1ccccc1C[NH+]1CCc2onc(-c3ccccc3F)c2C1 OCCO[*:1] Fc1ccccc1-c1noc2CC[NH+](Cc3ccccc3[*:1])Cc12
OCCOc1ccccc1C[NH+]1CCc2onc(-c3ccccc3F)c2C1 OCC[*:1] Fc1ccccc1-c1noc2CC[NH+](Cc3ccccc3O[*:1])Cc12
OCCOc1ccccc1C[NH+]1CCc2onc(-c3ccccc3F)c2C1 Fc1ccccc1[*:1] OCCOc1ccccc1C[NH+]1CCc2onc(c2C1)[*:1]
CCOC(=O)CNC(=O)N(C)[C@H]1CCSC1 CCOC(=O)[*:1] CN(C(=O)NC[*:1])[C@H]1CCSC1
CCOC(=O)CNC(=O)N(C)[C@H]1CCSC1 C1C[C@@H](CS1)[*:1] CCOC(=O)CNC(=O)N(C)[*:1]
CO[C@@H](C(=O)N1CCC([C@]2(C)NC(=O)N(CCN3CCOCC3)C2=O)CC1)c1ccccc1 C1CN(CCO1)CC[*:1] CO[C@@H](C(=O)N1CCC(CC1)[C@]1(C)NC(=O)N(C1=O)[*:1])c1ccccc1
CO[C@@H](C(=O)N1CCC([C@]2(C)NC(=O)N(CCN3CCOCC3)C2=O)CC1)c1ccccc1 CO[C@@H](c1ccccc1)[*:1] C[C@]1(NC(=O)N(CCN2CCOCC2)C1=O)C1CCN(CC1)C(=O)[*:1]
CO[C@@H](C(=O)N1CCC([C@]2(C)NC(=O)N(CCN3CCOCC3)C2=O)CC1)c1ccccc1 C1CN(CCO1)C[*:1] CO[C@@H](C(=O)N1CCC(CC1)[C@]1(C)NC(=O)N(C[*:1])C1=O)c1ccccc1
CO[C@@H](C(=O)N1CCC([C@]2(C)NC(=O)N(CCN3CCOCC3)C2=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)N1CCC(CC1)[C@]1(C)NC(=O)N(CCN2CCOCC2)C1=O)[*:1]
CO[C@@H](C(=O)N1CCC([C@]2(C)NC(=O)N(CCN3CCOCC3)C2=O)CC1)c1ccccc1 C1CN(CCO1)[*:1] CO[C@@H](C(=O)N1CCC(CC1)[C@]1(C)NC(=O)N(CC[*:1])C1=O)c1ccccc1
Cc1cccn2cc(CN3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)[nH+]c12 FC(F)(F)c1cccc(c1)[*:1] Cc1cccn2cc(CN3CCN(CC3)S(=O)(=O)[*:1])[nH+]c12
Cc1cccn2cc(CN3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)[nH+]c12 FC(F)(F)[*:1] Cc1cccn2cc(CN3CCN(CC3)S(=O)(=O)c3cccc(c3)[*:1])[nH+]c12
C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@H](NC(=O)CN1C(=O)c2cccc(c2C1=O)[N+](=O)[O-])[*:1]
C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)c(Cl)c1 O=[N+]([O-])[*:1] C[C@H](NC(=O)CN1C(=O)c2cccc(c2C1=O)[*:1])c1ccc(Cl)c(Cl)c1
Cc1cccc(-n2cnc3c(NCCCN4CCCC4=O)ncnc32)c1 O=C1CCCN1C[*:1] Cc1cccc(c1)-n1cnc2c(ncnc21)NCC[*:1]
Cc1cccc(-n2cnc3c(NCCCN4CCCC4=O)ncnc32)c1 O=C1CCCN1[*:1] Cc1cccc(c1)-n1cnc2c(ncnc21)NCCC[*:1]
Cc1cccc(-n2cnc3c(NCCCN4CCCC4=O)ncnc32)c1 Cc1cccc(c1)[*:1] O=C1CCCN1CCCNc1ncnc2c1ncn2[*:1]
Cc1cccc(-n2cnc3c(NCCCN4CCCC4=O)ncnc32)c1 O=C1CCCN1CC[*:1] Cc1cccc(c1)-n1cnc2c(ncnc21)NC[*:1]
COCCS(=O)(=O)NC[C@H](O)c1c(F)cccc1F COC[*:1] O=S(=O)(C[*:1])NC[C@H](O)c1c(F)cccc1F
COCCS(=O)(=O)NC[C@H](O)c1c(F)cccc1F COCC[*:1] O=S(=O)(NC[C@H](O)c1c(F)cccc1F)[*:1]
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)c1cccs1 c1csc(c1)[*:1] O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)[*:1]
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)c1cccs1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2)n1[*:1])NNC(=O)c1cccs1
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)c1cccs1 c1ccc(cc1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])NNC(=O)c1cccs1
CCCc1nc(Cn2ccc([C@@H]([NH3+])C(C)C)c2)no1 CCC[*:1] CC(C)[C@H]([NH3+])c1ccn(c1)Cc1noc(n1)[*:1]
CCCc1nc(Cn2ccc([C@@H]([NH3+])C(C)C)c2)no1 CC(C)[*:1] CCCc1nc(Cn2ccc(c2)[C@@H]([NH3+])[*:1])no1
CC[C@@H](NC(=O)N[C@H](C)c1cc(C)oc1C)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H](NC(=O)N[C@H](C)c1cc(C)oc1C)[*:1]
CC[C@@H](NC(=O)N[C@H](C)c1cc(C)oc1C)c1ccc(OC)cc1 Cc1cc(c(C)o1)[*:1] CC[C@@H](NC(=O)N[C@H](C)[*:1])c1ccc(cc1)OC
C[C@H](CNC(=O)NCCc1cnn(C)c1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)NCCc1cnn(C)c1)[*:1]
C[C@H](CNC(=O)NCCc1cnn(C)c1)N1CCOCC1 Cn1cc(cn1)C[*:1] C[C@H](CNC(=O)NC[*:1])N1CCOCC1
C[C@H](CNC(=O)NCCc1cnn(C)c1)N1CCOCC1 Cn1cc(cn1)[*:1] C[C@H](CNC(=O)NCC[*:1])N1CCOCC1
CC(C)[C@@H](CO)NC(=O)NC1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CC(C)[C@@H](CO)NC(=O)NC1CCN(CC1)C(=O)[*:1]
CC(C)[C@@H](CO)NC(=O)NC1CCN(C(=O)c2ccco2)CC1 CC(C)[*:1] O=C(NC1CCN(CC1)C(=O)c1ccco1)N[C@H](CO)[*:1]
Cc1csc(NC(=O)N[C@@H]2C[C@@H]2C)n1 C[C@H]1C[C@H]1[*:1] Cc1csc(n1)NC(=O)N[*:1]
CCCCOC(=O)C1=CC(=O)CC(C)(C)O1 CCCC[*:1] CC1(C)CC(=O)C=C(O1)C(=O)O[*:1]
CCCCOC(=O)C1=CC(=O)CC(C)(C)O1 CCC[*:1] CC1(C)CC(=O)C=C(O1)C(=O)OC[*:1]
Cc1cccc(C)c1NC(=O)CCCSCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1cccc(C)c1NC(=O)CCCSC[*:1]
COc1ccccc1O[C@H](C)CNC(=O)N[C@H](C)C(C)(C)C CC(C)(C)[*:1] COc1ccccc1O[C@H](C)CNC(=O)N[C@H](C)[*:1]
COc1ccccc1O[C@H](C)CNC(=O)N[C@H](C)C(C)(C)C C[C@H](C(C)(C)C)[*:1] COc1ccccc1O[C@H](C)CNC(=O)N[*:1]
O=C(c1ccccc1[N+](=O)[O-])N(CCC(F)(F)F)C1CCCCC1 C1CCC(CC1)[*:1] O=C(c1ccccc1[N+](=O)[O-])N(CCC(F)(F)F)[*:1]
O=C(c1ccccc1[N+](=O)[O-])N(CCC(F)(F)F)C1CCCCC1 FC(F)(F)CC[*:1] O=C(c1ccccc1[N+](=O)[O-])N(C1CCCCC1)[*:1]
O=C(c1ccccc1[N+](=O)[O-])N(CCC(F)(F)F)C1CCCCC1 FC(F)(F)[*:1] O=C(c1ccccc1[N+](=O)[O-])N(CC[*:1])C1CCCCC1
O=C(c1ccccc1[N+](=O)[O-])N(CCC(F)(F)F)C1CCCCC1 O=[N+]([O-])[*:1] O=C(c1ccccc1[*:1])N(CCC(F)(F)F)C1CCCCC1
O=C(c1ccccc1[N+](=O)[O-])N(CCC(F)(F)F)C1CCCCC1 FC(F)(F)C[*:1] O=C(c1ccccc1[N+](=O)[O-])N(C[*:1])C1CCCCC1
O=S(=O)([N-]c1cccc2[nH]ncc12)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=S(=O)([N-]c1cccc2[nH]ncc12)[*:1]
CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@H](C)C3)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)CSc1nc2sc3C[C@@H](C)CCc3c2c(=O)n1CC)[*:1]
CCc1cc(=O)oc2cc(Oc3nc4ccccc4nc3[C@@H](C#N)C(=O)OC)ccc12 COC(=O)[*:1] CCc1cc(=O)oc2cc(ccc12)Oc1nc2ccccc2nc1[C@@H](C#N)[*:1]
O=C(CCc1ccsc1)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1cc(cs1)CC[*:1] O=C(Oc1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
O=C(CCc1ccsc1)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1cc(cs1)[*:1] O=C(CC[*:1])Oc1ccc(cc1)S(=O)(=O)N1CCCCC1
O=C(CCc1ccsc1)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1cc(cs1)C[*:1] O=C(C[*:1])Oc1ccc(cc1)S(=O)(=O)N1CCCCC1
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@H]1C1CCCC1 C1CCC(C1)[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1[*:1]
CC[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)c1cnn(c1)-c1ccc(Cl)cc1)[*:1]
CC[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1c(C)nn(C)c1C Clc1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1cnn(c1)[*:1])c1c(C)nn(C)c1C
CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)cc1 CCO[*:1] CN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)CNc1ccccc1C(N)=O)c1ccc(F)cc1F NC(=O)[*:1] C[C@@H](NC(=O)CNc1ccccc1[*:1])c1ccc(F)cc1F
C[C@@H](NC(=O)CNc1ccccc1C(N)=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](NC(=O)CNc1ccccc1C(N)=O)[*:1]
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1 Cn1cnc(c1)[*:1] Cc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)c1 Cc1cccc(c1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 COc1ccccc1C[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1)[*:1]
COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 COc1ccccc1[*:1] O=C(C[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1
CC1=NN(C(=O)c2c(I)cnn2C)[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CC1C[C@](O)(N(N=1)C(=O)c1c(I)cnn1C)[*:1]
Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(N1CCN(CC1)Cc1ccc2OCCOc2c1)[*:1]
C[C@H](NC(=O)c1cncc(Br)c1)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)c1cncc(Br)c1)[*:1]
COc1ccccc1[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)[*:1]
COc1ccccc1[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)c1ccccn1 COc1ccccc1[*:1] O=C(N[C@@H]1CCCC[C@@H]1CO)N[C@@H](c1ccccn1)[*:1]
Cc1cccc(C2([NH2+]Cc3ccc([S@@](C)=O)cc3)CCCC2)c1 Cc1cccc(c1)[*:1] C[S@@](=O)c1ccc(cc1)C[NH2+]C1(CCCC1)[*:1]
Cc1cccc(C2([NH2+]Cc3ccc([S@@](C)=O)cc3)CCCC2)c1 C[S@@](=O)[*:1] Cc1cccc(c1)C1(CCCC1)[NH2+]Cc1ccc(cc1)[*:1]
O=C(NCCc1ccncc1)c1cc(COc2cccc3cccnc23)on1 c1cc(ccn1)CC[*:1] O=C(N[*:1])c1cc(COc2cccc3cccnc23)on1
O=C(NCCc1ccncc1)c1cc(COc2cccc3cccnc23)on1 c1cc(ccn1)C[*:1] O=C(NC[*:1])c1cc(COc2cccc3cccnc23)on1
O=C(NCCc1ccncc1)c1cc(COc2cccc3cccnc23)on1 c1cc(ccn1)[*:1] O=C(NCC[*:1])c1cc(COc2cccc3cccnc23)on1
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1OC CCOC(=O)[*:1] COc1ccc(c(c1)OC)[C@H]1C2C(=O)CCCC=2OC(N)=C1[*:1]
C[C@@H](Nc1ccccc1S(C)(=O)=O)c1ccc(C#N)cc1 CS(=O)(=O)[*:1] C[C@@H](Nc1ccccc1[*:1])c1ccc(C#N)cc1
CC(=O)N1CCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 c1ccc(nc1)[*:1] CC(=O)N1CCC[C@H]1c1cc(nc(C)n1)N[*:1]
CC(=O)N1CCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 c1ccc(nc1)N[*:1] CC(=O)N1CCC[C@H]1c1cc(nc(C)n1)[*:1]
C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc(c1)OC[*:1]
C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc(c1)O[*:1]
C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc(c1)[*:1]
COc1ccc(C(=O)N2C[C@H](C)NC(=O)c3ccc(F)cc32)cc1 COc1ccc(cc1)[*:1] C[C@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)N1CCSCC1 O=C(N1CCSCC1)[*:1] c1ccc(cc1)-c1ccc(cc1)Cc1nnc(CC[*:1])o1
O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)N1CCSCC1 c1ccc(cc1)[*:1] O=C(CCc1nnc(Cc2ccc(cc2)[*:1])o1)N1CCSCC1
O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)N1CCSCC1 O=C(C[*:1])N1CCSCC1 c1ccc(cc1)-c1ccc(cc1)Cc1nnc(C[*:1])o1
CN(C)[C@@H](C(=O)N(CCO)Cc1cccnc1)c1c(F)cccc1F OCC[*:1] CN(C)[C@@H](C(=O)N(Cc1cccnc1)[*:1])c1c(F)cccc1F
CN(C)[C@@H](C(=O)N(CCO)Cc1cccnc1)c1c(F)cccc1F c1cncc(c1)C[*:1] CN(C)[C@@H](C(=O)N(CCO)[*:1])c1c(F)cccc1F
CN(C)[C@@H](C(=O)N(CCO)Cc1cccnc1)c1c(F)cccc1F c1cncc(c1)[*:1] CN(C)[C@@H](C(=O)N(CCO)C[*:1])c1c(F)cccc1F
CN(C)[C@@H](C(=O)N(CCO)Cc1cccnc1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] CN(C)[C@@H](C(=O)N(CCO)Cc1cccnc1)[*:1]
CN(C)[C@@H](C(=O)N(CCO)Cc1cccnc1)c1c(F)cccc1F CN(C)[*:1] O=C([C@@H](c1c(F)cccc1F)[*:1])N(CCO)Cc1cccnc1
CS[C@@H]1CC[C@H](NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)C1 CC(C)=CC(=O)NC[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)[*:1]
CS[C@@H]1CC[C@H](NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)C1 CC(C)=CC(=O)N[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)C[*:1]
CS[C@@H]1CC[C@H](NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)C1 CC(C)=C[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)CNC(=O)[*:1]
O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(CC1)Cc1cc(no1)[*:1]
O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 Clc1cc(Br)ccc1[*:1] O=S(=O)(N1CCN(CC1)Cc1cc(no1)-c1ccccc1)[*:1]
CCCCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 CCCC[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)[*:1]
CCCCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 CCC[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)C[*:1]
O=c1[nH]c(NCCN2CCOCC2)nc2nccc(-c3ccc([N+](=O)[O-])cc3)c12 C(CN1CCOCC1)N[*:1] O=c1[nH]c(nc2nccc(-c3ccc(cc3)[N+](=O)[O-])c12)[*:1]
O=c1[nH]c(NCCN2CCOCC2)nc2nccc(-c3ccc([N+](=O)[O-])cc3)c12 C1CN(CCO1)CC[*:1] O=c1[nH]c(nc2nccc(-c3ccc(cc3)[N+](=O)[O-])c12)N[*:1]
O=c1[nH]c(NCCN2CCOCC2)nc2nccc(-c3ccc([N+](=O)[O-])cc3)c12 O=[N+]([O-])c1ccc(cc1)[*:1] O=c1[nH]c(nc2nccc(c12)[*:1])NCCN1CCOCC1
O=c1[nH]c(NCCN2CCOCC2)nc2nccc(-c3ccc([N+](=O)[O-])cc3)c12 C1CN(CCO1)[*:1] O=c1[nH]c(nc2nccc(-c3ccc(cc3)[N+](=O)[O-])c12)NCC[*:1]
O=c1[nH]c(NCCN2CCOCC2)nc2nccc(-c3ccc([N+](=O)[O-])cc3)c12 O=[N+]([O-])[*:1] O=c1[nH]c(nc2nccc(-c3ccc(cc3)[*:1])c12)NCCN1CCOCC1
O=c1[nH]c(NCCN2CCOCC2)nc2nccc(-c3ccc([N+](=O)[O-])cc3)c12 C1CN(CCO1)C[*:1] O=c1[nH]c(nc2nccc(-c3ccc(cc3)[N+](=O)[O-])c12)NC[*:1]
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1cc(ccc1OCc1ccccc1F)[C@H]1CC(O)=Nc2c1c(C)nn2[*:1]
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)-n1nc(C)c2c1N=C(O)C[C@@H]2c1ccc(O[*:1])c(c1)OC
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-n1nc(C)c2c1N=C(O)C[C@@H]2c1ccc(OC[*:1])c(c1)OC
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 Fc1ccccc1CO[*:1] COc1ccc(cc1)-n1nc(C)c2c1N=C(O)C[C@@H]2c1ccc(c(c1)OC)[*:1]
Cc1cc(C)c(-c2nc3nc(N(C)C)ccc3[nH]2)c(C)c1 CN(C)[*:1] Cc1cc(C)c(-c2nc3nc(ccc3[nH]2)[*:1])c(C)c1
C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cccc(Br)c1 O=C(N1CCCC1)[*:1] C[C@H](Nc1ccc(c(c1)[*:1])[N+](=O)[O-])c1cccc(Br)c1
C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cccc(Br)c1 O=[N+]([O-])[*:1] C[C@H](Nc1ccc(c(c1)C(=O)N1CCCC1)[*:1])c1cccc(Br)c1
C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@H](Nc1ccc(c(c1)C(=O)N1CCCC1)[N+](=O)[O-])[*:1]
NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 NC(=O)[*:1] O=[N+]([O-])c1cc(ccc1Cl)-c1ccc(o1)[*:1]
NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] NC(=O)c1ccc(o1)-c1ccc(Cl)c(c1)[*:1]
O=C(Nc1nc(C2CC2)cs1)N1CCC[C@H]1Cc1ccccc1 C1CC1[*:1] O=C(Nc1nc(cs1)[*:1])N1CCC[C@H]1Cc1ccccc1
O=C(Nc1nc(C2CC2)cs1)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1nc(cs1)C1CC1)N1CCC[C@@H]1[*:1]
O=C(Nc1nc(C2CC2)cs1)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nc(cs1)C1CC1)N1CCC[C@H]1C[*:1]
C[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)C1=c2ccccc2=[NH+]C1 c1ncn(n1)[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])C(=O)C1C[NH+]=c2ccccc2=1
COc1ccc(CN2C[C@@H](CO)OC[C@H]2C)cc1OCc1cccnc1 c1cncc(c1)C[*:1] COc1ccc(cc1O[*:1])CN1C[C@@H](CO)OC[C@H]1C
COc1ccc(CN2C[C@@H](CO)OC[C@H]2C)cc1OCc1cccnc1 c1cncc(c1)[*:1] COc1ccc(cc1OC[*:1])CN1C[C@@H](CO)OC[C@H]1C
COc1ccc(CN2C[C@@H](CO)OC[C@H]2C)cc1OCc1cccnc1 c1cncc(c1)CO[*:1] COc1ccc(cc1[*:1])CN1C[C@@H](CO)OC[C@H]1C
Cc1c(C[NH2+]C2CCCCC2)c(C(=O)[O-])c(C)n1Cc1ccccc1 O=C([O-])[*:1] Cc1c(C[NH2+]C2CCCCC2)c(c(C)n1Cc1ccccc1)[*:1]
Cc1c(C[NH2+]C2CCCCC2)c(C(=O)[O-])c(C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1c(C[NH2+]C2CCCCC2)c(C(=O)[O-])c(C)n1[*:1]
Cc1c(C[NH2+]C2CCCCC2)c(C(=O)[O-])c(C)n1Cc1ccccc1 C1CCC(CC1)[*:1] Cc1c(C[NH2+][*:1])c(C(=O)[O-])c(C)n1Cc1ccccc1
Cc1c(C[NH2+]C2CCCCC2)c(C(=O)[O-])c(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(C[NH2+]C2CCCCC2)c(C(=O)[O-])c(C)n1C[*:1]
CC[NH2+][C@H](CC)[C@H](c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] CC[NH2+][C@H](CC)[C@H](c1ccc(Cl)cc1)[*:1]
CC[C@H](O)CN1CCN(C(=O)c2[nH]nc(C)c2Br)CC1 CC[C@H](O)C[*:1] Cc1n[nH]c(C(=O)N2CCN(CC2)[*:1])c1Br
CC[C@H](O)CN1CCN(C(=O)c2[nH]nc(C)c2Br)CC1 CC[C@H](O)[*:1] Cc1n[nH]c(C(=O)N2CCN(CC2)C[*:1])c1Br
Cn1cc[nH+]c1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 Cn1cc[nH+]c1[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCC[C@H]1NC[*:1]
CC1(C)CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1Cl Clc1ccccc1[*:1] CC1(C)CCCC[C@H]1[NH2+]C[C@H](O)CO[*:1]
Cc1ccc(Br)cc1NC(=O)C(=O)NCCCO OCC[*:1] Cc1ccc(Br)cc1NC(=O)C(=O)NC[*:1]
Cc1ccc(Br)cc1NC(=O)C(=O)NCCCO OCCC[*:1] Cc1ccc(Br)cc1NC(=O)C(=O)N[*:1]
C[C@H](NC(=O)Cn1nnc(-c2ccsc2)n1)c1ccco1 C[C@H](c1ccco1)[*:1] O=C(Cn1nnc(n1)-c1ccsc1)N[*:1]
C[C@H](NC(=O)Cn1nnc(-c2ccsc2)n1)c1ccco1 c1cc(cs1)[*:1] C[C@H](NC(=O)Cn1nnc(n1)[*:1])c1ccco1
C[C@H](NC(=O)Cn1nnc(-c2ccsc2)n1)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)Cn1nnc(n1)-c1ccsc1)[*:1]
Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)c1C c1csc(c1)[*:1] Cc1cccc(OCC(=O)NC[C@@H]([NH+]2CCCCCC2)[*:1])c1C
Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)c1C Cc1cccc(c1C)[*:1] O=C(CO[*:1])NC[C@@H](c1cccs1)[NH+]1CCCCCC1
Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)c1C Cc1cccc(O[*:1])c1C O=C(C[*:1])NC[C@@H](c1cccs1)[NH+]1CCCCCC1
Cc1c(C[S@@](C)=O)cccc1NC(=O)CC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cccc1NC(=O)CC(C)(C)[*:1])C[S@@](C)=O
CC(C)CCNC(=O)[C@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 CC(C)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)c1ccnc(n1)-c1cccc(F)c1
CC(C)CCNC(=O)[C@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 CC(C)CCNC(=O)[*:1] Fc1cccc(c1)-c1nccc(n1)N1CCC[C@@H](C1)[*:1]
CC(C)CCNC(=O)[C@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 CC(C)C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1ccnc(n1)-c1cccc(F)c1
CC(C)CCNC(=O)[C@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 Fc1cccc(c1)[*:1] CC(C)CCNC(=O)[C@H]1CCCN(C1)c1ccnc(n1)[*:1]
CC(C)CCNC(=O)[C@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 CC(C)CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccnc(n1)-c1cccc(F)c1
Cc1cc(NC(=S)NC(=O)c2cccc(I)c2)ccc1-c1ccc(CO)o1 Ic1cccc(c1)[*:1] Cc1cc(ccc1-c1ccc(CO)o1)NC(=S)NC(=O)[*:1]
Cc1cc(NC(=S)NC(=O)c2cccc(I)c2)ccc1-c1ccc(CO)o1 OCc1ccc(o1)[*:1] Cc1cc(ccc1[*:1])NC(=S)NC(=O)c1cccc(I)c1
O=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccccc3)[nH]c(=O)c2C1 c1ccc(cc1)C[*:1] O=C(C1CC1)N1CCc2nc([nH]c(=O)c2C1)[C@H]1CCCCN1C(=O)[*:1]
O=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccccc3)[nH]c(=O)c2C1 c1ccc(cc1)[*:1] O=C(C1CC1)N1CCc2nc([nH]c(=O)c2C1)[C@H]1CCCCN1C(=O)C[*:1]
O=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccccc3)[nH]c(=O)c2C1 C1CC1[*:1] O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
CNS(=O)(=O)c1cccc(NC(=O)/C=C(/C)C(C)(C)C)c1 CC(C)(C)[*:1] CNS(=O)(=O)c1cccc(c1)NC(=O)C=C(C)[*:1]
CNS(=O)(=O)c1cccc(NC(=O)/C=C(/C)C(C)(C)C)c1 CC(=C[*:1])C(C)(C)C CNS(=O)(=O)c1cccc(c1)NC(=O)[*:1]
CNS(=O)(=O)c1cccc(NC(=O)/C=C(/C)C(C)(C)C)c1 CNS(=O)(=O)[*:1] C/C(=C/C(=O)Nc1cccc(c1)[*:1])C(C)(C)C
COc1ccccc1OCc1nc(-c2ccc3ncn(C)c3c2)no1 COc1ccccc1[*:1] Cn1cnc2ccc(cc21)-c1noc(CO[*:1])n1
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1ccco1 CCOC(=O)[*:1] Cc1cccn2c(=O)c3cc(c(=NC(=O)c4ccco4)n(C[C@H]4CCCO4)c3nc12)[*:1]
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1ccco1 c1coc(c1)[*:1] CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(=O)[*:1]
CC(=O)N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CC(=O)N[C@H](CC1C[NH+]=c2ccccc2=1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC(=O)N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 CC(=O)N[*:1] C[C@H](NC(=O)[C@@H](CC1C[NH+]=c2ccccc2=1)[*:1])c1ccc(cc1)-n1ccnc1
COCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O COCC[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
COCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] COCCN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)[*:1]
COCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O COC[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
O=C(O[C@H]1CCS(=O)(=O)C1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(O[C@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
O=C(O[C@H]1CCS(=O)(=O)C1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(O[C@H]1CCS(=O)(=O)C1)c1ccc(cc1)O[*:1]
Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 Cc1ccc(nc1)[*:1] Cc1ccc(cc1)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(nc1)N1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
FC(F)(F)c1cc(-c2ccc([C@H]3C=CN=N3)o2)cc(C(F)(F)F)c1 FC(F)(F)[*:1] FC(F)(F)c1cc(cc(c1)[*:1])-c1ccc(o1)[C@H]1C=CN=N1
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)ncn3-c2ccccc2)C1 CCOC(=O)[*:1] O=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)ncn3-c2ccccc2)C1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc2c(c1)ncn2[*:1]
CCc1ccccc1CNC(=O)NCCCc1nc(C)no1 Cc1noc(C[*:1])n1 CCc1ccccc1CNC(=O)NCC[*:1]
CCc1ccccc1CNC(=O)NCCCc1nc(C)no1 Cc1noc(n1)[*:1] CCc1ccccc1CNC(=O)NCCC[*:1]
CC(C)(C)C(=O)N1CCCN(C(=O)c2cccnc2Oc2cccnc2)CC1 c1cncc(c1)O[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)c1cccnc1[*:1]
CC(C)(C)C(=O)N1CCCN(C(=O)c2cccnc2Oc2cccnc2)CC1 c1cncc(c1)[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)c1cccnc1O[*:1]
CC(C)(C)C(=O)N1CCCN(C(=O)c2cccnc2Oc2cccnc2)CC1 CC(C)(C)[*:1] O=C(c1cccnc1Oc1cccnc1)N1CCCN(CC1)C(=O)[*:1]
CCC(=O)Oc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 O=[N+]([O-])[*:1] CCC(=O)Oc1ccc(cc1)C(=O)Nc1cc(ccc1O)[*:1]
CCC(=O)Oc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 CCC(=O)O[*:1] O=C(Nc1cc(ccc1O)[N+](=O)[O-])c1ccc(cc1)[*:1]
COc1ccc(C(=O)N2C[C@@H](O)[C@H]([NH2+]Cc3ccc4c(c3)OCO4)C2)cc1 COc1ccc(cc1)[*:1] O=C(N1C[C@@H](O)[C@@H](C1)[NH2+]Cc1ccc2OCOc2c1)[*:1]
COc1ccc(C(=O)N2C[C@@H](O)[C@H]([NH2+]Cc3ccc4c(c3)OCO4)C2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)C(=O)N1C[C@@H](O)[C@@H](C1)[NH2+]C[*:1]
C[C@H](NC(=O)NCCn1cccc1)c1ncc(-c2ccccc2)o1 c1ccn(c1)[*:1] C[C@H](NC(=O)NCC[*:1])c1ncc(o1)-c1ccccc1
C[C@H](NC(=O)NCCn1cccc1)c1ncc(-c2ccccc2)o1 c1ccn(c1)C[*:1] C[C@H](NC(=O)NC[*:1])c1ncc(o1)-c1ccccc1
C[C@H](NC(=O)NCCn1cccc1)c1ncc(-c2ccccc2)o1 c1ccn(c1)CC[*:1] C[C@H](NC(=O)N[*:1])c1ncc(o1)-c1ccccc1
C[C@H](NC(=O)NCCn1cccc1)c1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCCn1cccc1)c1ncc(o1)[*:1]
COc1cc(OC)c(NC(=O)C[C@H](C)c2ccccc2C)cc1F Cc1ccccc1[*:1] COc1cc(OC)c(cc1F)NC(=O)C[C@H](C)[*:1]
Cc1cc(N2CCCN(C(=O)c3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CCCN(CC1)C(=O)c1ccc(F)cc1
Cc1cc(N2CCCN(C(=O)c3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCCN(CC1)C(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](O)c2cccn2C)cc1 CC(=O)N[*:1] Cn1cccc1[C@@H](O)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](O)c2cccn2C)cc1 Cn1cccc1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C(=O)NC[C@H](O)[*:1]
[NH3+]CCCOC1CCN(C(=O)CCn2cc[nH+]c2)CC1 [NH3+]CCCO[*:1] O=C(CCn1cc[nH+]c1)N1CCC(CC1)[*:1]
[NH3+]CCCOC1CCN(C(=O)CCn2cc[nH+]c2)CC1 [NH3+]CCC[*:1] O=C(CCn1cc[nH+]c1)N1CCC(CC1)O[*:1]
[NH3+]CCCOC1CCN(C(=O)CCn2cc[nH+]c2)CC1 [NH3+]CC[*:1] O=C(CCn1cc[nH+]c1)N1CCC(CC1)OC[*:1]
Cn1cnc(S(=O)(=O)NC(C)(C)c2ccc3c(c2)OCO3)c1 Cn1cnc(c1)[*:1] CC(C)(NS(=O)(=O)[*:1])c1ccc2OCOc2c1
Cc1nc2ccccc2n1CCCCCS SCCC[*:1] Cc1nc2ccccc2n1CC[*:1]
Cc1nc2ccccc2n1CCCCCS SCCCC[*:1] Cc1nc2ccccc2n1C[*:1]
Cc1nc2ccccc2n1CCCCCS SCC[*:1] Cc1nc2ccccc2n1CCC[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
Cc1cc(F)ccc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 Cc1cc(F)ccc1[*:1] c1ccc(CNc2cc(c3cc[nH]c3n2)[*:1])nc1
Cc1cc(F)ccc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 c1ccc(CN[*:1])nc1 Cc1cc(F)ccc1-c1cc(nc2[nH]ccc12)[*:1]
Cc1cc(F)ccc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 c1ccc(nc1)[*:1] Cc1cc(F)ccc1-c1cc(nc2[nH]ccc12)NC[*:1]
Cc1cc(F)ccc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 c1ccc(C[*:1])nc1 Cc1cc(F)ccc1-c1cc(nc2[nH]ccc12)N[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)c2ccncc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccncc1Cl)N1CCSC[C@@H]1[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)c2ccncc2Cl)cc1 Clc1cnccc1[*:1] Cc1ccc(cc1)[C@H]1CSCCN1C(=O)[*:1]
C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1ccncc1 c1cc(ccn1)[*:1] C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)[*:1]
CCCn1c2ccccc2c2cnn(CC(=O)N3CCN(C)CC3)c(=O)c21 CN1CCN(CC1)C(=O)[*:1] CCCn1c2ccccc2c2cnn(C[*:1])c(=O)c21
CCCn1c2ccccc2c2cnn(CC(=O)N3CCN(C)CC3)c(=O)c21 CCC[*:1] CN1CCN(CC1)C(=O)Cn1ncc2c3ccccc3n(c2c1=O)[*:1]
COc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3onc(C)c32)c1OC COc1cccc(c1OC)[*:1] Cc1noc2NC3C[C@@H](CC(=O)C=3[C@H](c12)[*:1])c1ccccc1
COc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3onc(C)c32)c1OC c1ccc(cc1)[*:1] COc1cccc(c1OC)[C@@H]1C2C(=O)C[C@@H](CC=2Nc2onc(C)c21)[*:1]
CC[C@H]1COCCN1C(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] CC[C@H]1COCCN1C(=O)c1cccc(c1F)[*:1]
O=c1ccc(-c2ccc(F)cc2)nn1Cc1nccn1CC(F)(F)F FC(F)(F)[*:1] O=c1ccc(nn1Cc1nccn1C[*:1])-c1ccc(F)cc1
O=c1ccc(-c2ccc(F)cc2)nn1Cc1nccn1CC(F)(F)F Fc1ccc(cc1)[*:1] O=c1ccc(nn1Cc1nccn1CC(F)(F)F)[*:1]
O=c1ccc(-c2ccc(F)cc2)nn1Cc1nccn1CC(F)(F)F FC(F)(F)C[*:1] O=c1ccc(nn1Cc1nccn1[*:1])-c1ccc(F)cc1
C/C(=C\c1c(C)nn(C)c1C)C[NH2+]C(C)(C)C CC(C)(C)[*:1] C/C(=C\c1c(C)nn(C)c1C)C[NH2+][*:1]
COc1ccc(CC(=O)N2CCN=C2SCc2cc(C)ccc2C)cc1OC Cc1ccc(C)c(c1)C[*:1] COc1ccc(cc1OC)CC(=O)N1CCN=C1S[*:1]
COc1ccc(CC(=O)N2CCN=C2SCc2cc(C)ccc2C)cc1OC Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1OC)CC(=O)N1CCN=C1SC[*:1]
C#CCOc1ccc([C@H](C)NCc2nc(C3CC3)cs2)cc1 C1CC1[*:1] C#CCOc1ccc(cc1)[C@H](C)NCc1nc(cs1)[*:1]
C#CCOc1ccc([C@H](C)NCc2nc(C3CC3)cs2)cc1 C#CCO[*:1] C[C@H](NCc1nc(cs1)C1CC1)c1ccc(cc1)[*:1]
C#CCOc1ccc([C@H](C)NCc2nc(C3CC3)cs2)cc1 C#CC[*:1] C[C@H](NCc1nc(cs1)C1CC1)c1ccc(cc1)O[*:1]
CCN(Cc1c(Cl)cc(C)nc1Cl)CC(C)(C)C[NH3+] CC(C)(C[NH3+])C[*:1] CCN(Cc1c(Cl)cc(C)nc1Cl)[*:1]
O=C(CC[NH+](CCO)C1CC1)N1CCc2sccc2C1 C1CC1[*:1] O=C(CC[NH+](CCO)[*:1])N1CCc2sccc2C1
O=C(CC[NH+](CCO)C1CC1)N1CCc2sccc2C1 OCC[*:1] O=C(CC[NH+](C1CC1)[*:1])N1CCc2sccc2C1
CS(=O)(=O)NC1CCC(NC(=O)N(CC2CC2)C2CCCCC2)CC1 C1CCC(CC1)[*:1] CS(=O)(=O)NC1CCC(CC1)NC(=O)N(CC1CC1)[*:1]
CS(=O)(=O)NC1CCC(NC(=O)N(CC2CC2)C2CCCCC2)CC1 CS(=O)(=O)N[*:1] O=C(NC1CCC(CC1)[*:1])N(CC1CC1)C1CCCCC1
CS(=O)(=O)NC1CCC(NC(=O)N(CC2CC2)C2CCCCC2)CC1 C1CC1[*:1] CS(=O)(=O)NC1CCC(CC1)NC(=O)N(C[*:1])C1CCCCC1
CS(=O)(=O)NC1CCC(NC(=O)N(CC2CC2)C2CCCCC2)CC1 C1CC1C[*:1] CS(=O)(=O)NC1CCC(CC1)NC(=O)N(C1CCCCC1)[*:1]
CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)n1C)S[C@H](C)C2 CCOC(=O)[*:1] C[C@@H]1Cc2nc(SCC(=O)Nc3ccccc3[*:1])n(C)c(=O)c2S1
CC(C)(C)/C=C/C(=O)O[C@H]1CC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC(C)(C)/C=C/C(=O)O[C@H]1CC[C@H](C1)[*:1]
CC(C)(C)/C=C/C(=O)O[C@H]1CC[C@H](S(C)(=O)=O)C1 CC(C)(C)C=C[*:1] CS(=O)(=O)[C@H]1CC[C@@H](C1)OC(=O)[*:1]
CC(C)(C)/C=C/C(=O)O[C@H]1CC[C@H](S(C)(=O)=O)C1 CC(C)(C)[*:1] CS(=O)(=O)[C@H]1CC[C@@H](C1)OC(=O)C=C[*:1]
Cc1ccc(-n2nccc2NC(=O)c2cccc(-c3ccoc3)c2)nn1 Cc1ccc(nn1)[*:1] O=C(Nc1ccnn1[*:1])c1cccc(c1)-c1ccoc1
Cc1ccc(-n2nccc2NC(=O)c2cccc(-c3ccoc3)c2)nn1 c1cc(co1)[*:1] Cc1ccc(nn1)-n1nccc1NC(=O)c1cccc(c1)[*:1]
Cc1nc(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)oc1C Cc1nc(oc1C)S[*:1] C[C@@H](C(=O)N[C@H](C)c1cccc2ccccc12)[*:1]
Cc1nc(S[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)oc1C Cc1nc(oc1C)[*:1] C[C@H](S[*:1])C(=O)N[C@H](C)c1cccc2ccccc12
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1ccc(Br)o1 Brc1ccc(o1)[*:1] C[C@H]1CC[C@@H](CN1C(=O)C=C[*:1])C(N)=O
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1ccc(Br)o1 NC(=O)[*:1] C[C@H]1CC[C@H](CN1C(=O)/C=C/c1ccc(Br)o1)[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2nc[nH]n2)c1 O=C(Nc1nc[nH]n1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)[*:1]
CCCc1nccn1-c1cccc([C@@H](C)[NH2+]CC)c1 CCC[*:1] CC[NH2+][C@H](C)c1cccc(c1)-n1ccnc1[*:1]
CN(c1ccc(-c2csc(NC(=O)Cc3csc(-c4ccsc4)n3)n2)cc1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(Cc1csc(n1)-c1ccsc1)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CN(c1ccc(-c2csc(NC(=O)Cc3csc(-c4ccsc4)n3)n2)cc1)S(C)(=O)=O c1cc(cs1)-c1nc(cs1)[*:1] CN(c1ccc(cc1)-c1csc(n1)NC(=O)C[*:1])S(C)(=O)=O
CN(c1ccc(-c2csc(NC(=O)Cc3csc(-c4ccsc4)n3)n2)cc1)S(C)(=O)=O c1cc(cs1)[*:1] CN(c1ccc(cc1)-c1csc(n1)NC(=O)Cc1csc(n1)[*:1])S(C)(=O)=O
CC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc1C CC(=O)c1sc(nc1C)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)N[*:1]
CC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc1C CC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1nc(C)c(s1)[*:1]
CC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc1C Cc1ccc(cc1)[*:1] CC(=O)c1sc(nc1C)NC(=O)c1ccccc1NS(=O)(=O)[*:1]
Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC1CCCCC1 CC(C)NS(=O)(=O)[*:1] Cc1cc(ccc1OCC(=O)NC1CCCCC1)[*:1]
Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC1CCCCC1 CC(C)[*:1] Cc1cc(ccc1OCC(=O)NC1CCCCC1)S(=O)(=O)N[*:1]
Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(ccc1OCC(=O)N[*:1])S(=O)(=O)NC(C)C
Cc1cc(C)nc(N/C=C(\C#N)C(=O)c2ccoc2C)n1 Cc1occc1[*:1] Cc1cc(C)nc(n1)N/C=C(\C#N)C(=O)[*:1]
COc1ccc(CN(Cc2ccccc2F)C(=O)c2cc3cccc(OC)c3oc2=O)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)CN(C(=O)c1cc2cccc(OC)c2oc1=O)[*:1]
COc1ccc(CN(Cc2ccccc2F)C(=O)c2cc3cccc(OC)c3oc2=O)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)CN(C[*:1])C(=O)c1cc2cccc(OC)c2oc1=O
COc1ccc(CN(Cc2ccccc2F)C(=O)c2cc3cccc(OC)c3oc2=O)cc1 COc1ccc(cc1)C[*:1] COc1cccc2cc(C(=O)N(Cc3ccccc3F)[*:1])c(=O)oc12
COc1ccc(CN(Cc2ccccc2F)C(=O)c2cc3cccc(OC)c3oc2=O)cc1 COc1ccc(cc1)[*:1] COc1cccc2cc(C(=O)N(Cc3ccccc3F)C[*:1])c(=O)oc12
CC(C)Oc1ccccc1CC(=O)N1C[C@@H](C)S[C@H](C)C1 CC(C)[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)Cc1ccccc1O[*:1]
CC(C)Oc1ccccc1CC(=O)N1C[C@@H](C)S[C@H](C)C1 CC(C)O[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)Cc1ccccc1[*:1]
Cc1ccccc1CSc1nnc(C(C)(C)C)n1N CC(C)(C)[*:1] Cc1ccccc1CSc1nnc(n1N)[*:1]
CN1C(=O)C[C@H](NC(=O)NC[C@H](O)c2ccco2)[C@@H]1c1ccc(Cl)cc1 O[C@H](c1ccco1)[*:1] CN1C(=O)C[C@H](NC(=O)NC[*:1])[C@@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NC(=O)NC[C@H](O)c2ccco2)[C@@H]1c1ccc(Cl)cc1 O[C@@H](C[*:1])c1ccco1 CN1C(=O)C[C@H](NC(=O)N[*:1])[C@@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NC(=O)NC[C@H](O)c2ccco2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)NC[C@H](O)c2ccco2)[C@H]1[*:1]
CN1C(=O)C[C@H](NC(=O)NC[C@H](O)c2ccco2)[C@@H]1c1ccc(Cl)cc1 c1coc(c1)[*:1] CN1C(=O)C[C@H](NC(=O)NC[C@H](O)[*:1])[C@@H]1c1ccc(Cl)cc1
C[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 C[C@@H]1CCC[C@@H](C1)[*:1] C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[*:1]
C[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 N#Cc1ccc(cc1)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)N(CC[NH+](C)C)C[*:1]
O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1Cl)C(=O)c1ccco1 Fc1ccccc1[*:1] O=C(NC1CCCC1)[C@@H](N(Cc1ccccc1Cl)C(=O)c1ccco1)[*:1]
O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1Cl)C(=O)c1ccco1 C1CCC(C1)[*:1] O=C(N[*:1])[C@@H](c1ccccc1F)N(Cc1ccccc1Cl)C(=O)c1ccco1
O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1Cl)C(=O)c1ccco1 O=C(NC1CCCC1)[*:1] O=C(c1ccco1)N(Cc1ccccc1Cl)[C@H](c1ccccc1F)[*:1]
O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1Cl)C(=O)c1ccco1 Clc1ccccc1[*:1] O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C[*:1])C(=O)c1ccco1
O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1Cl)C(=O)c1ccco1 c1coc(c1)[*:1] O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1Cl)C(=O)[*:1]
O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1Cl)C(=O)c1ccco1 Clc1ccccc1C[*:1] O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccco1)[*:1]
O=C(C[C@@H](C[NH+]1CCCCC1)C(=O)[O-])Nc1ccccc1O Oc1ccccc1[*:1] O=C(C[C@@H](C[NH+]1CCCCC1)C(=O)[O-])N[*:1]
O=C(C[C@@H](C[NH+]1CCCCC1)C(=O)[O-])Nc1ccccc1O O=C([O-])[*:1] O=C(C[C@@H](C[NH+]1CCCCC1)[*:1])Nc1ccccc1O
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1ccc(I)cc1 Ic1ccc(cc1)[*:1] COc1ccc2c(C(=O)O[C@@H]2CC(=O)[*:1])c1OC
COc1ccccc1C(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 COc1ccccc1[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)[*:1])c1ccccc1
COc1ccccc1C(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N[C@@H](C)[*:1]
COc1ccccc1C(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 C[C@@H](c1ccccc1)[*:1] COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](C)CC2=O)N1 Cc1cccc(n1)[*:1] CC1NC2C[C@H](C)CC(=O)C=2[C@@H](C=1C(=O)N[*:1])c1ccc(cc1)N(C)C
CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](C)CC2=O)N1 CN(C)c1ccc(cc1)[*:1] CC1NC2C[C@H](C)CC(=O)C=2[C@H](C=1C(=O)Nc1cccc(C)n1)[*:1]
CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](C)CC2=O)N1 CN(C)[*:1] CC1NC2C[C@H](C)CC(=O)C=2[C@@H](C=1C(=O)Nc1cccc(C)n1)c1ccc(cc1)[*:1]
CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](C)CC2=O)N1 Cc1cccc(n1)NC(=O)[*:1] CC1NC2C[C@H](C)CC(=O)C=2[C@@H](C=1[*:1])c1ccc(cc1)N(C)C
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 N#Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)O[*:1]
CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cncc(Br)c1 CCC[*:1] COc1ccccc1NC(=O)CN(C(=O)c1cncc(Br)c1)[*:1]
CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cncc(Br)c1 COc1ccccc1[*:1] CCCN(CC(=O)N[*:1])C(=O)c1cncc(Br)c1
CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cncc(Br)c1 Brc1cncc(c1)[*:1] CCCN(CC(=O)Nc1ccccc1OC)C(=O)[*:1]
COc1cccc(-c2cc(C(=O)NCC(C)C)n3nc(-c4ccccc4)cc3n2)c1 CC(C)C[*:1] COc1cccc(c1)-c1cc(C(=O)N[*:1])n2nc(cc2n1)-c1ccccc1
COc1cccc(-c2cc(C(=O)NCC(C)C)n3nc(-c4ccccc4)cc3n2)c1 CC(C)[*:1] COc1cccc(c1)-c1cc(C(=O)NC[*:1])n2nc(cc2n1)-c1ccccc1
COc1cccc(-c2cc(C(=O)NCC(C)C)n3nc(-c4ccccc4)cc3n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1cc(C(=O)NCC(C)C)n2nc(cc2n1)[*:1]
COc1cccc(-c2cc(C(=O)NCC(C)C)n3nc(-c4ccccc4)cc3n2)c1 COc1cccc(c1)[*:1] CC(C)CNC(=O)c1cc(nc2cc(nn12)-c1ccccc1)[*:1]
COc1cccc(-c2cc(C(=O)NCC(C)C)n3nc(-c4ccccc4)cc3n2)c1 CC(C)CNC(=O)[*:1] COc1cccc(c1)-c1cc(n2nc(cc2n1)-c1ccccc1)[*:1]
CC(C)(C)NC(=O)N1CCC(CNC(=O)C(=O)N[C@@H]2CCSC2=O)CC1 CC(C)(C)[*:1] O=C(NCC1CCN(CC1)C(=O)N[*:1])C(=O)N[C@@H]1CCSC1=O
CCO[C@H]1C[C@@H](Nc2nccs2)C12CCCCC2 CCO[*:1] c1csc(n1)N[C@@H]1C[C@@H](C12CCCCC2)[*:1]
CCO[C@H]1C[C@@H](Nc2nccs2)C12CCCCC2 c1csc(n1)N[*:1] CCO[C@H]1C[C@@H](C12CCCCC2)[*:1]
CCO[C@H]1C[C@@H](Nc2nccs2)C12CCCCC2 c1csc(n1)[*:1] CCO[C@H]1C[C@@H](N[*:1])C12CCCCC2
COC(=O)c1c(C(=O)OC)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 COC(=O)[*:1] COC(=O)c1c(c(C(=O)c2ccc(cc2)[N+](=O)[O-])n2ccccc12)[*:1]
COC(=O)c1c(C(=O)OC)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COC(=O)c1c(C(=O)OC)c2ccccn2c1C(=O)[*:1]
COC(=O)c1c(C(=O)OC)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 COC(=O)[*:1] COC(=O)c1c(c2ccccn2c1C(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
COC(=O)c1c(C(=O)OC)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC(=O)c1c(C(=O)OC)c2ccccn2c1C(=O)c1ccc(cc1)[*:1]
COC(=O)[C@@H](C)C[C@@H](O)c1cccc(C2CC2)c1 C1CC1[*:1] COC(=O)[C@@H](C)C[C@@H](O)c1cccc(c1)[*:1]
COC(=O)[C@@H](C)C[C@@H](O)c1cccc(C2CC2)c1 COC(=O)[C@@H](C)[*:1] O[C@H](C[*:1])c1cccc(c1)C1CC1
COC(=O)[C@@H](C)C[C@@H](O)c1cccc(C2CC2)c1 COC(=O)[*:1] C[C@@H](C[C@@H](O)c1cccc(c1)C1CC1)[*:1]
O=C(Cc1ccc2c(c1)OCO2)Nc1nc(-c2ccc(Br)s2)cs1 Brc1ccc(s1)[*:1] O=C(Cc1ccc2OCOc2c1)Nc1nc(cs1)[*:1]
CCc1ccsc1C(=O)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)[*:1] CCc1ccsc1C(=O)N(Cc1ccccc1)C[*:1]
CCc1ccsc1C(=O)N(Cc1ccccc1)Cc1ccco1 CCc1ccsc1[*:1] O=C(N(Cc1ccccc1)Cc1ccco1)[*:1]
CCc1ccsc1C(=O)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)[*:1] CCc1ccsc1C(=O)N(Cc1ccco1)C[*:1]
CCc1ccsc1C(=O)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)C[*:1] CCc1ccsc1C(=O)N(Cc1ccccc1)[*:1]
CCc1ccsc1C(=O)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)C[*:1] CCc1ccsc1C(=O)N(Cc1ccco1)[*:1]
O=C(N[C@H](CO)c1ccccc1F)[C@H]1COc2ccccc2O1 Fc1ccccc1[*:1] O=C(N[C@H](CO)[*:1])[C@H]1COc2ccccc2O1
O=C(NCc1ccco1)c1cccc(CN2CCN(C(=O)CO)CC2)c1 c1coc(c1)C[*:1] O=C(N[*:1])c1cccc(c1)CN1CCN(CC1)C(=O)CO
O=C(NCc1ccco1)c1cccc(CN2CCN(C(=O)CO)CC2)c1 c1coc(c1)[*:1] O=C(NC[*:1])c1cccc(c1)CN1CCN(CC1)C(=O)CO
C=Cn1cc(C[NH+]2CCC(O)(c3ccccc3C)CC2)c(C)n1 Cc1ccccc1[*:1] C=Cn1cc(C[NH+]2CCC(O)(CC2)[*:1])c(C)n1
C[C@@H](CC(=O)Oc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)OC(=O)C[*:1]
C[C@@H](CC(=O)Oc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 CN(C)S(=O)(=O)[*:1] C[C@@H](CC(=O)Oc1ccc(cc1)[*:1])c1ccccc1
C[C@@H](CC(=O)Oc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)Oc1ccc(cc1)S(=O)(=O)N(C)C)[*:1]
COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2c(Cl)cccc21 CC(C)[*:1] COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C[*:1])[NH2+][C@@]21C(=O)Nc2c(Cl)cccc21
COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2c(Cl)cccc21 COCC[*:1] CC(C)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2c(Cl)cccc21 CC(C)C[*:1] COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]([NH2+][C@@]21C(=O)Nc2c(Cl)cccc21)[*:1]
COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2c(Cl)cccc21 COC[*:1] CC(C)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[*:1])C(=O)[C@@H]12
Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nnc(s1)-n1cccc1
Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c(Cl)c1 c1ccn(c1)[*:1] Cc1ccc(NC(=O)[C@H]2CCCN(C2)c2nnc(s2)[*:1])c(Cl)c1
Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1F Cc1ccc(cc1F)[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)[*:1]
Cc1noc2nc(C3CCN(C(=O)[C@@H](C)c4ccccc4)CC3)cc(C(F)(F)F)c12 FC(F)(F)[*:1] Cc1noc2nc(cc(c12)[*:1])C1CCN(CC1)C(=O)[C@@H](C)c1ccccc1
Cc1noc2nc(C3CCN(C(=O)[C@@H](C)c4ccccc4)CC3)cc(C(F)(F)F)c12 C[C@@H](c1ccccc1)[*:1] Cc1noc2nc(cc(c12)C(F)(F)F)C1CCN(CC1)C(=O)[*:1]
Cc1noc2nc(C3CCN(C(=O)[C@@H](C)c4ccccc4)CC3)cc(C(F)(F)F)c12 c1ccc(cc1)[*:1] Cc1noc2nc(cc(c12)C(F)(F)F)C1CCN(CC1)C(=O)[C@@H](C)[*:1]
CCCOc1ccc(N2C[C@H](C)C(=O)NC2=O)cc1 CCCO[*:1] C[C@H]1CN(C(=O)NC1=O)c1ccc(cc1)[*:1]
CCCOc1ccc(N2C[C@H](C)C(=O)NC2=O)cc1 CCC[*:1] C[C@H]1CN(C(=O)NC1=O)c1ccc(cc1)O[*:1]
COc1cccc(NC(=O)NC[C@](C)(O)c2ccc3c(c2)OCO3)c1 COc1cccc(c1)[*:1] C[C@](O)(CNC(=O)N[*:1])c1ccc2OCOc2c1
CC[C@@H](C)Nc1cc(OC)c(C(=O)[O-])cc1Cl O=C([O-])[*:1] CC[C@@H](C)Nc1cc(OC)c(cc1Cl)[*:1]
CC[C@@H](C)Nc1cc(OC)c(C(=O)[O-])cc1Cl CC[C@@H](C)[*:1] COc1cc(N[*:1])c(Cl)cc1C(=O)[O-]
CC[C@@H](C)Nc1cc(OC)c(C(=O)[O-])cc1Cl CC[C@@H](C)N[*:1] COc1cc(c(Cl)cc1C(=O)[O-])[*:1]
CN(Cc1cccc(F)c1)C(=O)CCNC(=O)NC1CCCCC1 Fc1cccc(c1)C[*:1] CN(C(=O)CCNC(=O)NC1CCCCC1)[*:1]
CN(Cc1cccc(F)c1)C(=O)CCNC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CN(Cc1cccc(F)c1)C(=O)CCNC(=O)N[*:1]
CN(Cc1cccc(F)c1)C(=O)CCNC(=O)NC1CCCCC1 Fc1cccc(c1)[*:1] CN(C[*:1])C(=O)CCNC(=O)NC1CCCCC1
CC(C)(C)OC(=O)N1CCC2(CCOC2(C)C)CC1 CC(C)(C)[*:1] CC1(C)OCCC12CCN(CC2)C(=O)O[*:1]
Cc1cc(C)c2c(=O)c(-c3ccccc3)c([O-])[nH]c2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2c(=O)c(c([O-])[nH]c2c1)[*:1]
CCO[C@H]1C[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[nH]3)c[nH+]2)C12CCCC2 Cc1nc([nH]c(=O)c1C)[*:1] CCO[C@H]1C[C@H](Nc2ccc(c[nH+]2)[*:1])C12CCCC2
CCO[C@H]1C[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[nH]3)c[nH+]2)C12CCCC2 CCO[*:1] Cc1nc([nH]c(=O)c1C)-c1ccc(N[C@H]2C[C@@H](C23CCCC3)[*:1])[nH+]c1
CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N[C@H](CC)c3ccc(OC)cc3)c2N1 FC(F)(F)[*:1] CC[C@H]1C[C@@H](n2ncc(C(=O)N[C@H](CC)c3ccc(cc3)OC)c2N1)[*:1]
CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N[C@H](CC)c3ccc(OC)cc3)c2N1 COc1ccc(cc1)[*:1] CC[C@H]1C[C@H](n2ncc(C(=O)N[C@H](CC)[*:1])c2N1)C(F)(F)F
C=CC[NH2+]CC(=O)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] C=CC[NH2+]CC(=O)Nc1ccccc1[*:1]
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 COc1cc(C)ccc1[*:1] O=C(Oc1ccc(/C=N/NC(=O)[*:1])cc1)c1ccco1
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 c1coc(c1)[*:1] COc1cc(C)ccc1C(=O)N/N=C/c1ccc(cc1)OC(=O)[*:1]
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1 O=C(O[*:1])c1ccco1 COc1cc(C)ccc1C(=O)N/N=C/c1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCC(COc2ccc(OC(F)(F)F)cc2)CC1 FC(F)(F)O[*:1] CC(C)(C)OC(=O)N1CCC(CC1)COc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCC(COc2ccc(OC(F)(F)F)cc2)CC1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)COc1ccc(cc1)O[*:1]
CC(C)(C)OC(=O)N1CCC(COc2ccc(OC(F)(F)F)cc2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)COc1ccc(cc1)OC(F)(F)F
CC[NH+]1CCN(CCc2nc(-c3ccc(C)cc3)no2)CC1 Cc1ccc(cc1)[*:1] CC[NH+]1CCN(CCc2nc(no2)[*:1])CC1
Cc1nc([C@@H](NC(=O)Nc2cc(F)ccc2-n2cccn2)c2ccccc2)n[nH]1 c1cnn(c1)[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)Nc1cc(F)ccc1[*:1])c1ccccc1
Cc1nc([C@@H](NC(=O)Nc2cc(F)ccc2-n2cccn2)c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(Nc1cc(F)ccc1-n1cccn1)N[C@@H](c1ccccc1)[*:1]
Cc1nc([C@@H](NC(=O)Nc2cc(F)ccc2-n2cccn2)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)Nc1cc(F)ccc1-n1cccn1)[*:1]
O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] O=C(NCCc1ccc(cc1)C(F)(F)F)NCc1ccc(nc1)[*:1]
O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1ccc(-n2ccnc2)nc1 FC(F)(F)[*:1] O=C(NCCc1ccc(cc1)[*:1])NCc1ccc(nc1)-n1ccnc1
COC(=O)c1coc(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)n1 CC(C)(C)NC(=O)[*:1] COC(=O)c1coc(CN2Cc3ccccc3C[C@@H]2[*:1])n1
COC(=O)c1coc(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)n1 COC(=O)c1coc(n1)[*:1] CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C[*:1]
COC(=O)c1coc(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)n1 COC(=O)[*:1] CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(co1)[*:1]
COC(=O)c1coc(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)n1 CC(C)(C)[*:1] COC(=O)c1coc(CN2Cc3ccccc3C[C@H]2C(=O)N[*:1])n1
CNC(=O)c1cccc(NC(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C
Cc1csc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)n1 Cc1csc(n1)[*:1] Cc1c(cnn1-c1cccc(c1)C(F)(F)F)C(=O)N[*:1]
Cc1csc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)n1 FC(F)(F)[*:1] Cc1csc(n1)NC(=O)c1cnn(-c2cccc(c2)[*:1])c1C
CCOCCSc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C CCOC[*:1] CC(C)n1c(nnc1-c1ccc(Cl)cc1Cl)SC[*:1]
CCOCCSc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C CC(C)[*:1] CCOCCSc1nnc(-c2ccc(Cl)cc2Cl)n1[*:1]
CCOCCSc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C CCO[*:1] CC(C)n1c(nnc1-c1ccc(Cl)cc1Cl)SCC[*:1]
CCOCCSc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C CCOCC[*:1] CC(C)n1c(nnc1-c1ccc(Cl)cc1Cl)S[*:1]
CCOCCSc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C CCOCCS[*:1] CC(C)n1c(nnc1[*:1])-c1ccc(Cl)cc1Cl
Cc1oc(-c2cccs2)nc1COc1nnc(-c2ccccc2)o1 c1csc(c1)[*:1] Cc1oc(nc1COc1nnc(o1)-c1ccccc1)[*:1]
Cc1oc(-c2cccs2)nc1COc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1oc(nc1COc1nnc(o1)[*:1])-c1cccs1
COc1ccc(-n2ccc(C[NH2+]Cc3ccc([S@](C)=O)cc3)n2)cc1 COc1ccc(cc1)[*:1] C[S@](=O)c1ccc(cc1)C[NH2+]Cc1ccn(n1)[*:1]
CCC(CC)CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 CCC(CC)[*:1] O=C(NC[*:1])c1cccc(c1)-c1noc(n1)C1CC1
CCC(CC)CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1[*:1] CCC(CC)CNC(=O)c1cccc(c1)-c1noc(n1)[*:1]
CCC(CC)CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 CCC(CC)C[*:1] O=C(N[*:1])c1cccc(c1)-c1noc(n1)C1CC1
O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C1CC1 O=C(NC[*:1])C1CC1 c1ccc(cc1)N1CCN(CC1)[C@H](c1cccnc1)[*:1]
O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C1CC1 c1cncc(c1)[*:1] O=C(NC[C@@H](N1CCN(CC1)c1ccccc1)[*:1])C1CC1
O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C1CC1 C1CC1[*:1] O=C(NC[C@@H](c1cccnc1)N1CCN(CC1)c1ccccc1)[*:1]
O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C1CC1 O=C(N[*:1])C1CC1 c1ccc(cc1)N1CCN(CC1)[C@@H](C[*:1])c1cccnc1
O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C1CC1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccnc1)N1CCN(CC1)[*:1])C1CC1
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC(C)(C)c2cccs2)c1 CC(C)(c1cccs1)[*:1] C[C@H]1C[C@H]1C(=O)Nc1cccc(c1)C(=O)NC[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC(C)(C)c2cccs2)c1 c1csc(c1)[*:1] C[C@H]1C[C@H]1C(=O)Nc1cccc(c1)C(=O)NCC(C)(C)[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC(C)(C)c2cccs2)c1 C[C@H]1C[C@H]1C(=O)N[*:1] CC(C)(CNC(=O)c1cccc(c1)[*:1])c1cccs1
CCN(C(=O)[C@H]1C=C2C(=O)[NH+]=c3ccc(C)cc3=C2S1)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(C(=O)[C@H]1C=C2C(=O)[NH+]=c3ccc(C)cc3=C2S1)[*:1]
CCCCOc1ccccc1N[C@H]1CCN(C)C1=O CCC[*:1] CN1CC[C@H](Nc2ccccc2OC[*:1])C1=O
CCCCOc1ccccc1N[C@H]1CCN(C)C1=O CCCCO[*:1] CN1CC[C@H](Nc2ccccc2[*:1])C1=O
CCCCOc1ccccc1N[C@H]1CCN(C)C1=O CCCC[*:1] CN1CC[C@H](Nc2ccccc2O[*:1])C1=O
CN(C[C@@H](O)C1CC1)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 O[C@@H](C1CC1)[*:1] CN(C[*:1])C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1
CN(C[C@@H](O)C1CC1)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1
CN(C[C@@H](O)C1CC1)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(C[C@@H](O)C1CC1)C(=O)[C@H]1CSCN1C(=O)[*:1]
COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1 CC(=O)Nc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc(no1)[*:1]
COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1 CC(=O)N[*:1] COc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc(no1)-c1ccc(cc1)[*:1]
COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(OC)c(-c2cc(C(=O)N3CCCSC[C@H]3C[NH+]3CCCCC3)n(C)n2)c1 COc1ccc(OC)c(c1)[*:1] Cn1nc(cc1C(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1)[*:1]
Cc1ccc(-n2nnnc2-c2cnc(N3[C@@H](C)COC[C@H]3C)nc2-c2cccs2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1COC[C@@H](C)N1c1ncc(c(n1)-c1cccs1)-c1nnnn1[*:1]
Cc1ccc(-n2nnnc2-c2cnc(N3[C@@H](C)COC[C@H]3C)nc2-c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)-n1nnnc1-c1cnc(nc1[*:1])N1[C@@H](C)COC[C@H]1C
Cc1nn(-c2ccccc2)nc1C(=O)N1CCC[C@H]1Cn1cccn1 c1ccc(cc1)[*:1] Cc1nn(nc1C(=O)N1CCC[C@H]1Cn1cccn1)[*:1]
Cc1nn(-c2ccccc2)nc1C(=O)N1CCC[C@H]1Cn1cccn1 c1cnn(c1)C[*:1] Cc1nn(nc1C(=O)N1CCC[C@@H]1[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)nc1C(=O)N1CCC[C@H]1Cn1cccn1 c1cnn(c1)[*:1] Cc1nn(nc1C(=O)N1CCC[C@H]1C[*:1])-c1ccccc1
C[C@H]1c2ccccc2O[C@@H]1C(=O)NCC(=O)OC1CCCCC1 C1CCC(CC1)[*:1] C[C@H]1c2ccccc2O[C@@H]1C(=O)NCC(=O)O[*:1]
CC(C)(C)c1nc(C(=O)N[C@@H]2CCCCC[C@H]2[NH3+])n[nH]1 CC(C)(C)[*:1] [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1n[nH]c(n1)[*:1]
Cc1c(Nc2ccc([C@@H](C)O)cc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(Nc2ccc(cc2)[C@@H](C)O)c(=O)n(n1C)[*:1]
Cc1c(Nc2ccc([C@@H](C)O)cc2)c(=O)n(-c2ccccc2)n1C C[C@@H](O)[*:1] Cc1c(Nc2ccc(cc2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1cccc(C(=O)NC2CC[NH+](C3CC3)CC2)c1 C1CC1[*:1] Cc1cccc(c1)C(=O)NC1CC[NH+](CC1)[*:1]
CC(C)C[C@H](CNC(=O)c1ccn(-c2ccccc2)n1)[NH+](C)C c1ccc(cc1)[*:1] CC(C)C[C@H](CNC(=O)c1ccn(n1)[*:1])[NH+](C)C
CC(C)C[C@H](CNC(=O)c1ccn(-c2ccccc2)n1)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccn(n1)-c1ccccc1)C[*:1]
CC(C)C[C@H](CNC(=O)c1ccn(-c2ccccc2)n1)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccn(n1)-c1ccccc1)[*:1]
Cc1csc(C[NH+](CC(=O)[O-])CC(=O)[O-])n1 O=C([O-])[*:1] Cc1csc(C[NH+](CC(=O)[O-])C[*:1])n1
Cc1csc(C[NH+](CC(=O)[O-])CC(=O)[O-])n1 O=C([O-])C[*:1] Cc1csc(C[NH+](CC(=O)[O-])[*:1])n1
Cc1ccnc2c1nc(CCl)n2[C@H]1CCC[C@@H]1C C[C@H]1CCC[C@@H]1[*:1] Cc1ccnc2c1nc(CCl)n2[*:1]
CCOC(=O)C(=O)C[NH+]1CCC(c2nnc(-c3ccc(F)cc3F)s2)CC1 CCOC(=O)C(=O)[*:1] Fc1ccc(-c2nnc(s2)C2CC[NH+](CC2)C[*:1])c(F)c1
CCOC(=O)C(=O)C[NH+]1CCC(c2nnc(-c3ccc(F)cc3F)s2)CC1 CCOC(=O)C(=O)C[*:1] Fc1ccc(-c2nnc(s2)C2CC[NH+](CC2)[*:1])c(F)c1
CCOC(=O)C(=O)C[NH+]1CCC(c2nnc(-c3ccc(F)cc3F)s2)CC1 Fc1ccc(c(F)c1)[*:1] CCOC(=O)C(=O)C[NH+]1CCC(CC1)c1nnc(s1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2c(C)nc3ccccn23)CC1 Cc1noc(C)c1[*:1] Cc1nc2ccccn2c1CN1CCN(CC1)S(=O)(=O)[*:1]
C[C@H](c1nc(=O)c2ccccc2[nH]1)[NH+]1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] C[C@H](c1nc(=O)c2ccccc2[nH]1)[NH+]1CCN(CC1)[*:1]
C[C@H](NC(=O)NCCCN1CCOCC1)c1nc(C2CCCCC2)no1 C1CCC(CC1)[*:1] C[C@H](NC(=O)NCCCN1CCOCC1)c1nc(no1)[*:1]
C[C@H](NC(=O)NCCCN1CCOCC1)c1nc(C2CCCCC2)no1 C1CN(CCO1)C[*:1] C[C@H](NC(=O)NCC[*:1])c1nc(no1)C1CCCCC1
C[C@H](NC(=O)NCCCN1CCOCC1)c1nc(C2CCCCC2)no1 C1CN(CCO1)[*:1] C[C@H](NC(=O)NCCC[*:1])c1nc(no1)C1CCCCC1
C[C@H](NC(=O)NCCCN1CCOCC1)c1nc(C2CCCCC2)no1 C1CN(CCO1)CC[*:1] C[C@H](NC(=O)NC[*:1])c1nc(no1)C1CCCCC1
O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)[*:1]
Cc1ccc(SCCN(C)C(=O)Cn2ncc(N3CCCC3)cc2=O)cc1 Cc1ccc(cc1)S[*:1] CN(CC[*:1])C(=O)Cn1ncc(cc1=O)N1CCCC1
Cc1ccc(SCCN(C)C(=O)Cn2ncc(N3CCCC3)cc2=O)cc1 Cc1ccc(cc1)[*:1] CN(CCS[*:1])C(=O)Cn1ncc(cc1=O)N1CCCC1
Cc1ccc(SCCN(C)C(=O)Cn2ncc(N3CCCC3)cc2=O)cc1 Cc1ccc(cc1)SC[*:1] CN(C[*:1])C(=O)Cn1ncc(cc1=O)N1CCCC1
Cc1ccc(SCCN(C)C(=O)Cn2ncc(N3CCCC3)cc2=O)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)SCCN(C)C(=O)Cn1ncc(cc1=O)[*:1]
CCCS(=O)(=O)NC[C@@H]1CCN(C2CC(C)(C)[NH2+]C(C)(C)C2)C1 CCC[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)N1CC[C@@H](CNS(=O)(=O)[*:1])C1
CCCS(=O)(=O)NC[C@@H]1CCN(C2CC(C)(C)[NH2+]C(C)(C)C2)C1 CCCS(=O)(=O)N[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)N1CC[C@H](C1)C[*:1]
C[C@@H]1CCC[C@H](NC(=O)N(C)CC(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)N(C)C[*:1]
C[C@@H]1CCC[C@H](NC(=O)N(C)CC(=O)[O-])C1 O=C([O-])C[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)N(C)[*:1]
Cc1ccc(NC(=O)C(=O)NCc2cc(Cl)c3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1cc(Cl)c2OCCOc2c1)C(=O)N[*:1]
COc1ccc(F)cc1NC(=O)Nc1cnn(CCO)c1 OCC[*:1] COc1ccc(F)cc1NC(=O)Nc1cnn(c1)[*:1]
O=C1CC(C(=O)NCc2nccn2Cc2ccccc2)CC(=O)N1 c1ccc(cc1)[*:1] O=C1CC(CC(=O)N1)C(=O)NCc1nccn1C[*:1]
O=C1CC(C(=O)NCc2nccn2Cc2ccccc2)CC(=O)N1 c1ccc(cc1)C[*:1] O=C1CC(CC(=O)N1)C(=O)NCc1nccn1[*:1]
O=C1CC(C(=O)NCc2nccn2Cc2ccccc2)CC(=O)N1 O=C1CC(CC(=O)N1)[*:1] O=C(NCc1nccn1Cc1ccccc1)[*:1]
O=C(CNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Br Clc1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(o1)[*:1])Nc1ccccc1Br
O=C(CNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(CNC(=O)c1ccc(o1)-c1ccc(Cl)cc1)N[*:1]
C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3ccccc3)csc21 C=CC[*:1] COc1cccc(c1O[*:1])[C@@H]1CC(=O)Nc2c(csc21)-c1ccccc1
C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3ccccc3)csc21 C=CCO[*:1] COc1cccc(c1[*:1])[C@@H]1CC(=O)Nc2c(csc21)-c1ccccc1
C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3ccccc3)csc21 c1ccc(cc1)[*:1] C=CCOc1c(cccc1[C@@H]1CC(=O)Nc2c(csc21)[*:1])OC
C[C@@H]1CN(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C[C@@H](C)O1 CN(C)[*:1] C[C@@H]1CN(CC(=O)Nc2cc(ccc2[*:1])S(=O)(=O)N(C)C)C[C@@H](C)O1
C[C@@H]1CN(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C[C@@H](C)O1 CN(C)S(=O)(=O)[*:1] C[C@@H]1CN(CC(=O)Nc2cc(ccc2N(C)C)[*:1])C[C@@H](C)O1
CCc1ccc(CNC(=O)c2cccc(N(C)C)c2)s1 CN(C)[*:1] CCc1ccc(CNC(=O)c2cccc(c2)[*:1])s1
COCCn1/c(=N/C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2ccccc21 O=[N+]([O-])[*:1] COCCn1/c(=N/C(=O)c2cc(cc(c2)[*:1])[N+](=O)[O-])sc2ccccc21
COCCn1/c(=N/C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2ccccc21 COC[*:1] O=C(/N=c1\sc2ccccc2n1C[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
COCCn1/c(=N/C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2ccccc21 COCC[*:1] O=C(/N=c1\sc2ccccc2n1[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
O=C([O-])c1ccccc1SSc1ccccc1C(=O)[O-] O=C([O-])[*:1] O=C([O-])c1ccccc1SSc1ccccc1[*:1]
CC(=O)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 CC(=O)O[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1[*:1]
CC(=O)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Oc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)[*:1]
CC(=O)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 CC(=O)Oc1ccccc1[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)[O-])C/C2=N\NC(=O)c1ccc(Cl)cc1 O=C([O-])[*:1] CC1(C)[C@]2(C)CC[C@]1(C/C2=N\NC(=O)c1ccc(Cl)cc1)[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)[O-])C/C2=N\NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC1(C)[C@]2(C)CC[C@]1(C/C2=N\NC(=O)[*:1])C(=O)[O-]
Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)o1 Cc1ccc(o1)[*:1] C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1 FC(F)(F)[*:1] Cc1ccc(o1)-c1nn(cc1/C=C(\C#N)C(=O)Nc1cccc(c1)[*:1])-c1ccccc1
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)-c1nn(cc1/C=C(\C#N)C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1 Cc1ccc(o1)[*:1] N#C/C(=C\c1cn(nc1[*:1])-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1 FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(o1)-c1nn(cc1/C=C(\C#N)C(=O)N[*:1])-c1ccccc1
CCC(CC)/C([O-])=N/S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC(CC)/C([O-])=N/S(=O)(=O)c1cc(C)c(C)c(c1)[*:1]
CCC(CC)/C([O-])=N/S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 CCC(CC)[*:1] Cc1cc(cc(c1C)[N+](=O)[O-])S(=O)(=O)/N=C(\[O-])[*:1]
CCCS(=O)(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 c1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCC2(CC1)CC(=O)N(CC=C[*:1])C2
CCCS(=O)(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 C(=C[*:1])c1ccccc1 CCCS(=O)(=O)N1CCC2(CC1)CC(=O)N(C2)C[*:1]
CCCS(=O)(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 CCC[*:1] O=C1CC2(CCN(CC2)S(=O)(=O)[*:1])CN1C/C=C/c1ccccc1
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccc(Br)cc1)NC(=O)[*:1]
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])NC(=O)c1ccc(cc1)[N+](=O)[O-]
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccc(Br)cc1)NC(=O)c1ccc(cc1)[*:1]
CC[C@@H](C)CN(C)c1ccccc1C[NH2+]C1CC1 CC[C@@H](C)[*:1] CN(C[*:1])c1ccccc1C[NH2+]C1CC1
CC[C@@H](C)CN(C)c1ccccc1C[NH2+]C1CC1 CC[C@@H](C)C[*:1] CN(c1ccccc1C[NH2+]C1CC1)[*:1]
CC[C@@H](C)CN(C)c1ccccc1C[NH2+]C1CC1 C1CC1[*:1] CC[C@@H](C)CN(C)c1ccccc1C[NH2+][*:1]
C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)C(=O)NC(C)(C)C Fc1ccccc1[*:1] C[C@H](NC(=O)c1cnn(c1-n1cccc1)[*:1])C(=O)NC(C)(C)C
C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)C(=O)NC(C)(C)C c1ccn(c1)[*:1] C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1[*:1])C(=O)NC(C)(C)C
C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)C(=O)N[*:1]
C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)[*:1]
O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(C[NH+]2CCCC2)c1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)O[*:1])c1cccc(c1)C[NH+]1CCCC1
O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(C[NH+]2CCCC2)c1 FC(F)(F)O[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)C[NH+]1CCCC1
COc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 FC(F)(F)c1ccccc1[*:1] COc1ccc(/C=C2\NC(=O)N(CC(=O)N[*:1])C2=O)cc1
COc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 FC(F)(F)[*:1] COc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3[*:1])C2=O)cc1
COc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 COc1ccc(cc1)[*:1] O=C(CN1C(=O)NC(=C[*:1])C1=O)Nc1ccccc1C(F)(F)F
C[NH2+][C@H]1CC[C@@H](n2ccc(C(F)(F)F)n2)C1 FC(F)(F)[*:1] C[NH2+][C@H]1CC[C@H](C1)n1ccc(n1)[*:1]
Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(-c3ccccc3Cl)nc2n(C)c1=O O=C(CS[*:1])N1CCCC1 Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccccc1Cl)[*:1]
Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(-c3ccccc3Cl)nc2n(C)c1=O Clc1ccccc1[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)[*:1])SCC(=O)N1CCCC1
Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(-c3ccccc3Cl)nc2n(C)c1=O O=C(C[*:1])N1CCCC1 Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccccc1Cl)S[*:1]
Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(-c3ccccc3Cl)nc2n(C)c1=O O=C(N1CCCC1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccccc1Cl)SC[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)N[C@@H](C)C(=O)N[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)C(=O)NCc2ccco2)c1 CCC(=O)N[*:1] C[C@H](NC(=O)Nc1cc(ccc1Cl)[*:1])C(=O)NCc1ccco1
CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)N[C@@H](C)C(=O)NC[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)C(=O)NCc2ccco2)c1 O=C(NCc1ccco1)[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)N[C@@H](C)[*:1]
COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 COc1ccccc1O[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 COc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] COc1ccccc1OCC(=O)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(S(N)(=O)=O)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)c1cc(cc(c1)[*:1])C(F)(F)F)c1ccc(cc1)S(N)(=O)=O
COc1ccccc1-c1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1 c1ccc(cc1)[*:1] COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)nn1[*:1]
COc1ccccc1-c1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1 COc1ccccc1[*:1] Cc1cc(NC(=O)c2cc(on2)[*:1])n(n1)-c1ccccc1
COc1ccc(F)c(NCC(=O)Nc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COc1ccc(F)c(c1)NCC(=O)N[*:1]
CCOC(=O)C[C@H](C)CNc1ncnc2cccc(F)c12 CCOC(=O)C[*:1] C[C@H](CNc1ncnc2cccc(F)c12)[*:1]
CCOC(=O)C[C@H](C)CNc1ncnc2cccc(F)c12 CCOC(=O)[*:1] C[C@H](CNc1ncnc2cccc(F)c12)C[*:1]
CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl Clc1ccccc1[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1C(=O)[*:1]
CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl O=C(c1ccccc1Cl)[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1[*:1]
Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccco2)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1ccco1)OC(=O)[*:1]
Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2[*:1]
CC(C)NC(=O)c1cc(N)cc(Br)c1 CC(C)[*:1] Nc1cc(Br)cc(c1)C(=O)N[*:1]
CCc1noc(CS(=O)(=O)[C@@H](C)C(=O)N2CCCc3ccccc32)n1 CCc1noc(C[*:1])n1 C[C@@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)[*:1]
CCc1noc(CS(=O)(=O)[C@@H](C)C(=O)N2CCCc3ccccc32)n1 CCc1noc(n1)[*:1] C[C@@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)C[*:1]
COCc1nc(CNc2cc(NC(C)=O)c(F)cc2F)cs1 CC(=O)N[*:1] COCc1nc(cs1)CNc1cc(c(F)cc1F)[*:1]
COCc1nc(CNc2cc(NC(C)=O)c(F)cc2F)cs1 COC[*:1] CC(=O)Nc1cc(NCc2csc(n2)[*:1])c(F)cc1F
Cc1c(Cl)cccc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 C1CC1[*:1] Cc1c(Cl)cccc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[*:1]
Cc1c(Cl)cccc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 Cc1c(Cl)cccc1[*:1] C[C@@H](CC(=O)N[*:1])S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1
COc1ccc2c(c1)C=C(C(=O)OCc1ccnc(Cl)c1)CO2 Clc1cc(ccn1)[*:1] COc1ccc2OCC(=Cc2c1)C(=O)OC[*:1]
CC[NH2+][C@H](c1ccsc1)[C@@H]1CN(CC)CCO1 c1cc(cs1)[*:1] CC[NH2+][C@H]([C@@H]1CN(CC)CCO1)[*:1]
CC1CC[NH+](Cc2nc(N)nc(Nc3ccc(Cl)cc3)n2)CC1 Clc1ccc(cc1)[*:1] CC1CC[NH+](CC1)Cc1nc(N)nc(n1)N[*:1]
CC(=O)Oc1cccc(C(=O)c2ccc(C(C)C)cc2)c1 CC(=O)O[*:1] CC(C)c1ccc(cc1)C(=O)c1cccc(c1)[*:1]
CC(=O)Oc1cccc(C(=O)c2ccc(C(C)C)cc2)c1 CC(C)[*:1] CC(=O)Oc1cccc(c1)C(=O)c1ccc(cc1)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 CCC[*:1] C[C@@H](C(=O)Nc1cc(Cl)c(N)c(Cl)c1)S(=O)(=O)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 CCCS(=O)(=O)[*:1] C[C@@H](C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[*:1]
O=C(Cc1ccccc1)NCC(=O)Nc1cc(Cl)ccc1Cl c1ccc(cc1)C[*:1] O=C(CNC(=O)[*:1])Nc1cc(Cl)ccc1Cl
O=C(Cc1ccccc1)NCC(=O)Nc1cc(Cl)ccc1Cl c1ccc(cc1)[*:1] O=C(C[*:1])NCC(=O)Nc1cc(Cl)ccc1Cl
C[C@@H]1C[C@@H](C)CN(C(=O)C[S@@](=O)Cc2ncn(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)C[S@@](=O)Cc1ncn(n1)[*:1]
CC(C)=CC[NH+]1CCN(c2ccc(F)cc2)CC1 CC(C)=C[*:1] Fc1ccc(cc1)N1CC[NH+](CC1)C[*:1]
CC(C)=CC[NH+]1CCN(c2ccc(F)cc2)CC1 CC(C)=CC[*:1] Fc1ccc(cc1)N1CC[NH+](CC1)[*:1]
COc1ccc([C@H]2C(C(C)=O)=C([O-])C(=O)N2CCCn2cc[nH+]c2)cc1 CC(=O)[*:1] COc1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1CCCn1cc[nH+]c1)[*:1]
COc1ccc([C@H]2C(C(C)=O)=C([O-])C(=O)N2CCCn2cc[nH+]c2)cc1 COc1ccc(cc1)[*:1] CC(=O)C1=C([O-])C(=O)N(CCCn2cc[nH+]c2)[C@H]1[*:1]
CCN(CC)C(=O)CCC(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 CCN(CC)C(=O)CC[*:1] O=C(Nc1ccc(cc1)-c1nnc2CCCCn21)[*:1]
CCN(CC)C(=O)CCC(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 C1CCn2c(C1)nnc2[*:1] CCN(CC)C(=O)CCC(=O)Nc1ccc(cc1)[*:1]
CCN(CC)C(=O)CCC(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 CCN(CC)C(=O)[*:1] O=C(CC[*:1])Nc1ccc(cc1)-c1nnc2CCCCn21
CCN(CC)C(=O)CCC(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 CCN(CC)C(=O)C[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1nnc2CCCCn21
COc1ccc(CCNC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)NCC[*:1]
COc1ccc(CCNC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CCNC(=O)[C@@H](C)NC(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc(NCc2cc(C#N)ccc2F)cc1 CCN(CC)S(=O)(=O)[*:1] N#Cc1ccc(F)c(c1)CNc1ccc(cc1)[*:1]
CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3)C2)c1 CCS(=O)(=O)N[*:1] CS(=O)(=O)N1N=C(C[C@@H]1c1ccccc1)c1cccc(c1)[*:1]
CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3)C2)c1 c1ccc(cc1)[*:1] CCS(=O)(=O)Nc1cccc(c1)C1C[C@H](N(N=1)S(C)(=O)=O)[*:1]
Cc1cnc(CCNC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)s1 Cc1cnc(s1)[*:1] C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)NCC[*:1]
Cc1cnc(CCNC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)s1 Cc1cnc(CC[*:1])s1 C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)N[*:1]
Cc1cnc(CCNC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)s1 Cc1cnc(C[*:1])s1 C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)NC[*:1]
Cc1cnc(CCNC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1cnc(CCNC(=O)N(C)[C@@H](C)[C@H](C)[*:1])s1
CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 CCSc1ccccc1[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[*:1]
CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 O=C(NC[C@H]1CCCO1)[*:1] CCSc1ccccc1C(=O)Nc1ccccc1[*:1]
CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 CCS[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccccc1[*:1]
O=C(Nc1nnc(-c2ccccc2F)s1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Nc1nnc(s1)[*:1])Nc1ccccc1F
O=C(Nc1nnc(-c2ccccc2F)s1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Nc1nnc(s1)-c1ccccc1F)N[*:1]
CC[NH2+][C@@H]1C[C@@H](C)C[C@H](C)[C@@H]1S(=O)(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC[NH2+][C@@H]1C[C@@H](C)C[C@H](C)[C@@H]1S(=O)(=O)[*:1]
CCCn1nnnc1C[S@](=O)CCC(=O)N1CCc2ccccc21 CCC[*:1] O=C(CC[S@@](=O)Cc1nnnn1[*:1])N1CCc2ccccc21
CCCn1nnnc1C[S@](=O)CCC(=O)N1CCc2ccccc21 CCCn1nnnc1[*:1] O=C(CC[S@@](=O)C[*:1])N1CCc2ccccc21
Cn1cc(N2CCC[C@@H](NC(=O)Cc3c(F)cccc3F)C2)cn1 Fc1cccc(F)c1[*:1] Cn1cc(cn1)N1CCC[C@H](C1)NC(=O)C[*:1]
Cn1cc(N2CCC[C@@H](NC(=O)Cc3c(F)cccc3F)C2)cn1 Cn1cc(cn1)[*:1] O=C(Cc1c(F)cccc1F)N[C@@H]1CCCN(C1)[*:1]
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C#N)c2)C1 N#Cc1cccc(c1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1[N-]S(=O)(=O)[*:1]
CC(=O)[C@@H]1CC(C(=O)N[C@H](C)c2cc(C)oc2C)=NN1c1ccccc1 Cc1cc(c(C)o1)[*:1] CC(=O)[C@@H]1CC(=NN1c1ccccc1)C(=O)N[C@H](C)[*:1]
CC(=O)[C@@H]1CC(C(=O)N[C@H](C)c2cc(C)oc2C)=NN1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)[C@@H]1CC(=NN1[*:1])C(=O)N[C@H](C)c1cc(C)oc1C
CC(=O)[C@@H]1CC(C(=O)N[C@H](C)c2cc(C)oc2C)=NN1c1ccccc1 CC(=O)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)C1C[C@H](N(N=1)c1ccccc1)[*:1]
O=C(COCC1CC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 C1CC1C[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)C(=O)CO[*:1]
O=C(COCC1CC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)O[*:1] O=C(COCC1CC1)N1CCN(CC1)C(=O)C[*:1]
O=C(COCC1CC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 C1CC1CO[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)C(=O)C[*:1]
O=C(COCC1CC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 C1CC1COC[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
O=C(COCC1CC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(COCC1CC1)N1CCN(CC1)C(=O)CO[*:1]
O=C(COCC1CC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 C1CC1[*:1] O=C(COC[*:1])N1CCN(CC1)C(=O)COc1ccc(Cl)cc1
CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)cc1C CC(C)[*:1] CCOC(=O)c1sc(cc1C)NC(=O)c1cccc(c1)S(=O)(=O)[*:1]
CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)cc1C CC(C)S(=O)(=O)[*:1] CCOC(=O)c1sc(cc1C)NC(=O)c1cccc(c1)[*:1]
CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)cc1C CCOC(=O)[*:1] Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)C(C)C)sc1[*:1]
C[C@H](NC(=O)c1cc(Cl)ccc1O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)c1cc(Cl)ccc1O)c1ccc(cc1)[*:1]
CC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)nc1[O-] FC(F)(F)[*:1] CC(=O)c1nn(-c2cccc(c2)[*:1])c(=O)nc1[O-]
CC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)nc1[O-] CC(=O)[*:1] O=c1nc([O-])c(nn1-c1cccc(c1)C(F)(F)F)[*:1]
Cc1ncsc1COC(=O)c1sc2nc(C(F)(F)F)ccc2c1C Cc1ncsc1[*:1] Cc1c(sc2nc(ccc12)C(F)(F)F)C(=O)OC[*:1]
Cc1ncsc1COC(=O)c1sc2nc(C(F)(F)F)ccc2c1C FC(F)(F)[*:1] Cc1ncsc1COC(=O)c1sc2nc(ccc2c1C)[*:1]
Cc1ncsc1COC(=O)c1sc2nc(C(F)(F)F)ccc2c1C Cc1ncsc1C[*:1] Cc1c(sc2nc(ccc12)C(F)(F)F)C(=O)O[*:1]
COc1cc(OC)c(N2C[C@@H](C(=O)Nc3nc(-c4cccnc4)cs3)CC2=O)cc1Cl c1cncc(c1)[*:1] COc1cc(OC)c(cc1Cl)N1C[C@H](CC1=O)C(=O)Nc1nc(cs1)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)OCC(C)C O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)OCC(C)C)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)OCC(C)C CC(C)[*:1] COc1cc(ccc1NC(=O)OC[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1NC(=O)OCC(C)C CC(C)C[*:1] COc1cc(ccc1NC(=O)O[*:1])[N+](=O)[O-]
Nc1c(C(=O)N2CCOC[C@H]2C2CC2)cccc1[N+](=O)[O-] C1CC1[*:1] Nc1c(cccc1[N+](=O)[O-])C(=O)N1CCOC[C@@H]1[*:1]
Nc1c(C(=O)N2CCOC[C@H]2C2CC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1c(cccc1[*:1])C(=O)N1CCOC[C@H]1C1CC1
NC(=O)CCCCNC(=O)c1cc(Cl)ccc1O NC(=O)[*:1] O=C(NCCCC[*:1])c1cc(Cl)ccc1O
NC(=O)CCCCNC(=O)c1cc(Cl)ccc1O NC(=O)CC[*:1] O=C(NCC[*:1])c1cc(Cl)ccc1O
NC(=O)CCCCNC(=O)c1cc(Cl)ccc1O NC(=O)CCC[*:1] O=C(NC[*:1])c1cc(Cl)ccc1O
NC(=O)CCCCNC(=O)c1cc(Cl)ccc1O NC(=O)C[*:1] O=C(NCCC[*:1])c1cc(Cl)ccc1O
CC1CCN(c2nc([C@H]3CC(=O)N(C)C3)cc(=O)[nH]2)CC1 CC1CCN(CC1)[*:1] CN1C[C@H](CC1=O)c1cc(=O)[nH]c(n1)[*:1]
C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)C1 CC(C)(C)OC(=O)NC[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)[C@@H](c1ccccc1)[*:1]
C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)C1 CC(C)(C)OC(=O)N[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)[C@@H](C[*:1])c1ccccc1
C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)[C@@H](CNC(=O)O[*:1])c1ccccc1
C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)[C@@H](CNC(=O)OC(C)(C)C)[*:1]
CN(Cc1nccn1C(F)F)C(=O)NC1CCC(c2ccccc2)CC1 FC(F)n1ccnc1[*:1] CN(C[*:1])C(=O)NC1CCC(CC1)c1ccccc1
CN(Cc1nccn1C(F)F)C(=O)NC1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(Cc1nccn1C(F)F)C(=O)NC1CCC(CC1)[*:1]
CN(Cc1nccn1C(F)F)C(=O)NC1CCC(c2ccccc2)CC1 FC(F)[*:1] CN(Cc1nccn1[*:1])C(=O)NC1CCC(CC1)c1ccccc1
CCc1nnc(NC(=O)[C@H]2CC(=O)C(OCc3ccccc3)=CO2)s1 c1ccc(cc1)C[*:1] CCc1nnc(NC(=O)[C@H]2CC(=O)C(=CO2)O[*:1])s1
CCc1nnc(NC(=O)[C@H]2CC(=O)C(OCc3ccccc3)=CO2)s1 c1ccc(cc1)[*:1] CCc1nnc(NC(=O)[C@H]2CC(=O)C(=CO2)OC[*:1])s1
CCc1nnc(NC(=O)[C@H]2CC(=O)C(OCc3ccccc3)=CO2)s1 CCc1nnc(s1)[*:1] O=C1C[C@@H](OC=C1OCc1ccccc1)C(=O)N[*:1]
CCc1nnc(NC(=O)[C@H]2CC(=O)C(OCc3ccccc3)=CO2)s1 c1ccc(cc1)CO[*:1] CCc1nnc(NC(=O)[C@H]2CC(=O)C(=CO2)[*:1])s1
Cc1cc(=O)[nH]c(-c2ccc(NC[C@H](CCO)c3ccccc3)nc2)n1 c1ccc(cc1)[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(nc1)NC[C@H](CCO)[*:1]
Cc1cc(=O)[nH]c(-c2ccc(NC[C@H](CCO)c3ccccc3)nc2)n1 OCC[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(nc1)NC[C@H](c1ccccc1)[*:1]
Cc1cc(=O)[nH]c(-c2ccc(NC[C@H](CCO)c3ccccc3)nc2)n1 Cc1cc(=O)[nH]c(n1)[*:1] OCC[C@@H](CNc1ccc(cn1)[*:1])c1ccccc1
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccccc2)c2ccc(Br)cc21 CC(=O)C[*:1] O=C1N(CCCOc2ccccc2)c2ccc(Br)cc2[C@]1(O)[*:1]
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccccc2)c2ccc(Br)cc21 CC(=O)[*:1] O=C1N(CCCOc2ccccc2)c2ccc(Br)cc2[C@@]1(O)C[*:1]
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccccc2)c2ccc(Br)cc21 c1ccc(cc1)O[*:1] CC(=O)C[C@@]1(O)C(=O)N(CCC[*:1])c2ccc(Br)cc21
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccccc2)c2ccc(Br)cc21 c1ccc(cc1)[*:1] CC(=O)C[C@@]1(O)C(=O)N(CCCO[*:1])c2ccc(Br)cc21
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccccc2)c2ccc(Br)cc21 c1ccc(cc1)OC[*:1] CC(=O)C[C@@]1(O)C(=O)N(CC[*:1])c2ccc(Br)cc21
Cc1cc(F)ccc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 Cc1cc(F)ccc1[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cccnc1
Cc1cc(F)ccc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] Cc1cc(F)ccc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
N/C(CCCSC1COC1)=N/O C1OCC1[*:1] N/C(CCCS[*:1])=N/O
N/C(CCCSC1COC1)=N/O N/C(=N/O)[*:1] C(CSC1COC1)C[*:1]
O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccs1 FC(F)(F)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1c1ccc(cc1)[*:1])c1cccs1
O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F)[*:1]
COc1ccc(Br)cc1NC(=O)NCc1cccc(C)n1 Cc1cccc(n1)[*:1] COc1ccc(Br)cc1NC(=O)NC[*:1]
C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
O=C([O-])COc1cc(C(F)(F)F)nc(Nc2ccc3c(c2)CCC3)n1 O=C([O-])CO[*:1] FC(F)(F)c1cc(nc(n1)Nc1ccc2CCCc2c1)[*:1]
O=C([O-])COc1cc(C(F)(F)F)nc(Nc2ccc3c(c2)CCC3)n1 O=C([O-])[*:1] FC(F)(F)c1cc(nc(n1)Nc1ccc2CCCc2c1)OC[*:1]
O=C([O-])COc1cc(C(F)(F)F)nc(Nc2ccc3c(c2)CCC3)n1 O=C([O-])C[*:1] FC(F)(F)c1cc(nc(n1)Nc1ccc2CCCc2c1)O[*:1]
O=C([O-])COc1cc(C(F)(F)F)nc(Nc2ccc3c(c2)CCC3)n1 FC(F)(F)[*:1] O=C([O-])COc1cc(nc(n1)Nc1ccc2CCCc2c1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)[O-])cc1 COc1ccc(cc1)[*:1] O=C([O-])c1ccccc1N(Cc1ccccc1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)[O-])cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)S(=O)(=O)N(c1ccccc1C(=O)[O-])[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)[O-])cc1 O=C([O-])c1ccccc1[*:1] COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)[O-])cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccccc1C(=O)[O-]
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc1[*:1]
CCN1C[C@@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)CC1=O c1ccc(cc1)[*:1] CCN1C[C@H](CC1=O)C(=O)N1CCCC(C1)(c1ccccc1)[*:1]
CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)CS2 c1ccc(cc1)[*:1] CCc1c(C)nc2SC[C@@H](Cn2c1=O)C(=O)N1CCN(CC1)C(c1ccccc1)[*:1]
CCO[C@H](CC)c1n[nH]c(=O)n1C(C)C CC(C)[*:1] CCO[C@H](CC)c1n[nH]c(=O)n1[*:1]
CCO[C@H](CC)c1n[nH]c(=O)n1C(C)C CCO[*:1] CC[C@H](c1n[nH]c(=O)n1C(C)C)[*:1]
COC(=O)C1CCN(C(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)CC1 O=C([O-])[*:1] COC(=O)C1CCN(CC1)C(=O)N[C@@H]1C=C[C@H](C1)[*:1]
COC(=O)C1CCN(C(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)CC1 COC(=O)[*:1] O=C([O-])[C@H]1C=C[C@H](C1)NC(=O)N1CCC(CC1)[*:1]
C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O Cn1cc(cn1)[*:1] C[C@@H](CCc1ccc2OCOc2c1)[NH2+][C@@H]1CCN(C1=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)c3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)CN1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)N(C)[*:1]
N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])c1scnc1C1CC1 C1CC1[*:1] N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])c1scnc1[*:1]
Cn1cccc1[C@@H](CNC(=O)C(N)=O)N1CCc2ccccc2C1 NC(=O)C(=O)NC[*:1] Cn1cccc1[C@@H](N1CCc2ccccc2C1)[*:1]
Cn1cccc1[C@@H](CNC(=O)C(N)=O)N1CCc2ccccc2C1 NC(=O)C(=O)N[*:1] Cn1cccc1[C@@H](C[*:1])N1CCc2ccccc2C1
Cn1cccc1[C@@H](CNC(=O)C(N)=O)N1CCc2ccccc2C1 Cn1cccc1[*:1] NC(=O)C(=O)NC[C@@H](N1CCc2ccccc2C1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)n2cnc3cc(-c4ccc(Br)cc4)sc3c2=O)c1C CC(=O)c1c(C)[nH]c(c1C)[*:1] C[C@@H](C(=O)[*:1])n1cnc2cc(sc2c1=O)-c1ccc(Br)cc1
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)n2cnc3cc(-c4ccc(Br)cc4)sc3c2=O)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@H](C)n2cnc3cc(sc3c2=O)-c2ccc(Br)cc2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)n2cnc3cc(-c4ccc(Br)cc4)sc3c2=O)c1C Brc1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)n2cnc3cc(sc3c2=O)[*:1])c1C
CC(=O)NCCc1cc(C)no1 CC(=O)N[*:1] Cc1cc(CC[*:1])on1
C[NH+](C)[C@H](CNC(=O)C1CC1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)C1CC1)C[*:1]
C[NH+](C)[C@H](CNC(=O)C1CC1)Cc1ccccc1 O=C(N[*:1])C1CC1 C[NH+](C)[C@@H](Cc1ccccc1)C[*:1]
C[NH+](C)[C@H](CNC(=O)C1CC1)Cc1ccccc1 C1CC1[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])Cc1ccccc1
C=CCCCOCc1c(C[NH3+])oc2ccccc12 C=CCCCO[*:1] [NH3+]Cc1oc2ccccc2c1C[*:1]
C=CCCCOCc1c(C[NH3+])oc2ccccc12 C=CC[*:1] [NH3+]Cc1oc2ccccc2c1COCC[*:1]
C=CCCCOCc1c(C[NH3+])oc2ccccc12 C=CCCC[*:1] [NH3+]Cc1oc2ccccc2c1CO[*:1]
C=CCCCOCc1c(C[NH3+])oc2ccccc12 C=CCC[*:1] [NH3+]Cc1oc2ccccc2c1COC[*:1]
O=C(NCCc1cccc(O)c1)NC[C@]1(O)CCCc2ccccc21 Oc1cccc(c1)[*:1] O=C(NCC[*:1])NC[C@]1(O)CCCc2ccccc21
O=C(NCCc1cccc(O)c1)NC[C@]1(O)CCCc2ccccc21 Oc1cccc(c1)C[*:1] O=C(NC[C@]1(O)CCCc2ccccc21)NC[*:1]
O=C(Cn1ccc2ccc(Cl)cc21)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1ccc2ccc(Cl)cc21)NNC(=O)[*:1]
C=C1CCC(c2ccccc2)(c2ccccc2)O1 c1ccc(cc1)[*:1] C=C1CCC(O1)(c1ccccc1)[*:1]
O=C(Nc1ccccc1)c1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)CSc1nnc2c(n1)[nH]c1ccccc12
O=C(Nc1ccccc1)c1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 O=C(Nc1ccccc1)[*:1] c1ccc2c(c1)[nH]c1nc(nnc12)SCc1ccc(cc1)[*:1]
CCc1cc(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)on1 CCc1cc(on1)[*:1] O=C(NC[*:1])[C@@H]1CCCC[C@H]1C(F)(F)F
CCc1cc(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)on1 FC(F)(F)[*:1] CCc1cc(CNC(=O)[C@@H]2CCCC[C@@H]2[*:1])on1
CCO[C@H](CCNC(=O)[C@@H]1SCCc2ccccc21)C(C)C CC(C)[*:1] CCO[C@H](CCNC(=O)[C@@H]1SCCc2ccccc21)[*:1]
CCO[C@H](CCNC(=O)[C@@H]1SCCc2ccccc21)C(C)C CCO[*:1] CC(C)[C@@H](CCNC(=O)[C@@H]1SCCc2ccccc21)[*:1]
CCO[C@H](CCNC(=O)[C@@H]1SCCc2ccccc21)C(C)C CCO[C@H](C(C)C)[*:1] O=C(NCC[*:1])[C@@H]1SCCc2ccccc21
CC(C)[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N1CCCC1=O CC(C)[*:1] C[C@H](NC(=O)[C@H](N1CCCC1=O)[*:1])c1ccc2OCCOc2c1
CC(C)[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N1CCCC1=O O=C1CCCN1[*:1] CC(C)[C@H](C(=O)N[C@@H](C)c1ccc2OCCOc2c1)[*:1]
CCc1ccc([C@H](C)NC(=O)[C@H]2CCC(=O)O2)cc1 O=C1CC[C@@H](O1)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)[*:1]
Cc1cc(OCC(=O)NCCCN2CCCC2=O)c2c(C)c(C)c(=O)oc2c1 O=C1CCCN1C[*:1] Cc1cc(OCC(=O)NCC[*:1])c2c(C)c(C)c(=O)oc2c1
Cc1cc(OCC(=O)NCCCN2CCCC2=O)c2c(C)c(C)c(=O)oc2c1 O=C1CCCN1CCC[*:1] Cc1cc(OCC(=O)N[*:1])c2c(C)c(C)c(=O)oc2c1
Cc1cc(OCC(=O)NCCCN2CCCC2=O)c2c(C)c(C)c(=O)oc2c1 O=C1CCCN1CC[*:1] Cc1cc(OCC(=O)NC[*:1])c2c(C)c(C)c(=O)oc2c1
Cc1cc(OCC(=O)NCCCN2CCCC2=O)c2c(C)c(C)c(=O)oc2c1 O=C1CCCN1[*:1] Cc1cc(OCC(=O)NCCC[*:1])c2c(C)c(C)c(=O)oc2c1
O=C(CSc1ncn[nH]1)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 c1n[nH]c(n1)S[*:1] O=C(C[*:1])C1=c2ccccc2=[NH+][C@@H]1c1ccccc1
O=C(CSc1ncn[nH]1)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 c1n[nH]c(n1)SC[*:1] O=C(C1=c2ccccc2=[NH+][C@@H]1c1ccccc1)[*:1]
O=C(CSc1ncn[nH]1)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 c1n[nH]c(n1)[*:1] O=C(CS[*:1])C1=c2ccccc2=[NH+][C@@H]1c1ccccc1
O=C(CSc1ncn[nH]1)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ncn[nH]1)C1=c2ccccc2=[NH+][C@H]1[*:1]
COc1ccc(Cn2ccc([C@H]([NH3+])C3CC3)c2)cc1F C1CC1[*:1] COc1ccc(cc1F)Cn1ccc(c1)[C@H]([NH3+])[*:1]
COc1ccc(OC)c2[nH]c(C(=O)N[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc12 c1cc2OCOc2cc1[*:1] COc1ccc(OC)c2[nH]c(cc12)C(=O)N[C@H](C)C(=O)N[*:1]
CN(C)c1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)ccn1 Cn1cc(cn1)[*:1] CN(C)c1cc(ccn1)C(=O)N1CCC[C@H]1[*:1]
CN(C)c1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)ccn1 CN(C)[*:1] Cn1cc(cn1)[C@H]1CCCN1C(=O)c1ccnc(c1)[*:1]
COC(=O)C(C)(C)COc1ccc2c(c1)OC[C@@H]2[NH3+] COC(=O)[*:1] CC(C)(COc1ccc2c(c1)OC[C@@H]2[NH3+])[*:1]
C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(S(C)(=O)=O)CC1 Fc1cccc(c1)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)S(C)(=O)=O
O=C(CCc1ncc(-c2ccccc2F)o1)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCc1ncc(o1)-c1ccccc1F)NCC[*:1]
O=C(CCc1ncc(-c2ccccc2F)o1)NCCc1ccc(Cl)cc1 Fc1ccccc1[*:1] O=C(CCc1ncc(o1)[*:1])NCCc1ccc(Cl)cc1
O=C(CCc1ncc(-c2ccccc2F)o1)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CCc1ncc(o1)-c1ccccc1F)NC[*:1]
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4ccc5ccccc5c4)c(=O)n2C3)cc1 COc1ccc(cc1)[*:1] O=C(N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc4ccccc4c3)c(=O)n1C2)[*:1]
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4ccc5ccccc5c4)c(=O)n2C3)cc1 c1ccc2cc(ccc2c1)[*:1] COc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H](C1)c1ccc(c(=O)n1C2)[*:1]
C[C@@H](c1ccco1)N(C(=O)Nc1cccc(C(=O)NC2CC2)c1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)Nc1cccc(c1)C(=O)NC1CC1)C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)Nc1cccc(C(=O)NC2CC2)c1)C1CC1 O=C(NC1CC1)[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1cccc(c1)[*:1])C1CC1
C[C@@H](c1ccco1)N(C(=O)Nc1cccc(C(=O)NC2CC2)c1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1cccc(c1)C(=O)NC1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)Nc1cccc(C(=O)NC2CC2)c1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1cccc(c1)C(=O)N[*:1])C1CC1
Cc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)o1 C1CC1[*:1] Cc1ccc(/C=C(/C#N)c2nc(cs2)[*:1])o1
Cc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)o1 Cc1ccc(o1)[*:1] N#CC(=C[*:1])c1nc(cs1)C1CC1
CCc1nc(C)c([C@H](C)OC(=O)Cc2ccc(N3CCCC3=O)cc2)s1 O=C1CCCN1[*:1] CCc1nc(C)c(s1)[C@H](C)OC(=O)Cc1ccc(cc1)[*:1]
CCc1nc(C)c([C@H](C)OC(=O)Cc2ccc(N3CCCC3=O)cc2)s1 CCc1nc(C)c(s1)[*:1] C[C@H](OC(=O)Cc1ccc(cc1)N1CCCC1=O)[*:1]
Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)n[nH]1 C1CCC(C1)[*:1] Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2O[*:1])n[nH]1
Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)n[nH]1 Cc1cc(C[*:1])n[nH]1 O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)n[nH]1 C1CCC(C1)O[*:1] Cc1cc(CC(=O)N[C@@H]2CCCC[C@H]2[*:1])n[nH]1
Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)n[nH]1 Cc1cc(n[nH]1)[*:1] O=C(C[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
C[C@H](NS(=O)(=O)Cc1ccon1)c1cccc(-n2cncn2)c1 c1cc(no1)[*:1] C[C@H](NS(=O)(=O)C[*:1])c1cccc(c1)-n1cncn1
C[C@H](NS(=O)(=O)Cc1ccon1)c1cccc(-n2cncn2)c1 c1ncn(n1)[*:1] C[C@H](NS(=O)(=O)Cc1ccon1)c1cccc(c1)[*:1]
C[C@H](NS(=O)(=O)Cc1ccon1)c1cccc(-n2cncn2)c1 c1cc(C[*:1])no1 C[C@H](NS(=O)(=O)[*:1])c1cccc(c1)-n1cncn1
CCCc1cc(=O)n2ncc(-c3ccc(OC)cc3)c2[nH]1 CCC[*:1] COc1ccc(cc1)-c1cnn2c(=O)cc([nH]c12)[*:1]
C[C@H](Sc1c([O-])on[n+]1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 c1ccc(cc1)[*:1] C[C@H](Sc1c([O-])on[n+]1[*:1])C(=O)Nc1sc2C[C@H](C)CCc2c1C#N
CCOc1ccc([C@@H]2C(C(=O)OC)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1 CCO[*:1] COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2C(C(=O)OC)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1 COC(=O)[*:1] CCOc1ccc(cc1)[C@@H]1C(=C(N)Oc2cc(C)[nH]c(=O)c21)[*:1]
COCc1nc2scc(-c3ccc(C)cc3)c2c(=O)[nH]1 COC[*:1] Cc1ccc(cc1)-c1csc2nc([nH]c(=O)c12)[*:1]
COc1cc(OC)c(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1F Fc1cccc(c1F)[*:1] COc1cc(OC)c(cc1F)NC(=O)[C@@H]1C[C@@H]1[*:1]
COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] COc1cc(cc(c1)C(=O)NC(=S)Nc1cccc(c1)[*:1])OC
O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCN1CCCC1=O O=C1CCCN1[*:1] O=C(Cn1c(cc2cccnc21)-c1cccs1)NCC[*:1]
O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCN1CCCC1=O c1csc(c1)[*:1] O=C(Cn1c(cc2cccnc21)[*:1])NCCN1CCCC1=O
O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCN1CCCC1=O O=C1CCCN1CC[*:1] O=C(Cn1c(cc2cccnc21)-c1cccs1)N[*:1]
O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCN1CCCC1=O O=C1CCCN1C[*:1] O=C(Cn1c(cc2cccnc21)-c1cccs1)NC[*:1]
CCO[C@@H]1C[C@@H]([O-])C12CCN(C(=O)c1cn(C)nc1-c1ccccc1)CC2 c1ccc(cc1)[*:1] CCO[C@@H]1C[C@@H]([O-])C12CCN(CC2)C(=O)c1cn(C)nc1[*:1]
CCO[C@@H]1C[C@@H]([O-])C12CCN(C(=O)c1cn(C)nc1-c1ccccc1)CC2 CCO[*:1] Cn1cc(C(=O)N2CCC3(CC2)[C@H]([O-])C[C@H]3[*:1])c(n1)-c1ccccc1
CCc1nc(CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cs1 CCc1nc(cs1)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)n1cc[nH+]c1
COc1cc(C)c(S(=O)(=O)N[C@@H](C#N)c2ccccc2F)cc1OC Fc1ccccc1[*:1] COc1cc(C)c(cc1OC)S(=O)(=O)N[C@@H](C#N)[*:1]
Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccccc1C(F)(F)F)CC(O)=N2 Clc1ccc(nn1)[*:1] Cc1nn(c2N=C(O)C[C@@H](c3ccccc3C(F)(F)F)c12)[*:1]
Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccccc1C(F)(F)F)CC(O)=N2 FC(F)(F)[*:1] Cc1nn(-c2ccc(Cl)nn2)c2N=C(O)C[C@@H](c3ccccc3[*:1])c12
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)c1cnc(C[*:1])s1
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)c1cnc(s1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cnc(Cc2ccccc2)s1 CC(C)[*:1] O=C(c1cnc(Cc2ccccc2)s1)N(C[C@H]1CCCCO1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cnc(Cc2ccccc2)s1 C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)c1cnc(Cc2ccccc2)s1)[*:1]
CC1=C(C(N)=O)[C@H](c2cccc(Br)c2)N2[N-]C(SCc3ccccc3)=NC2=[NH+]1 Brc1cccc(c1)[*:1] CC1[NH+]=C2N=C([N-]N2[C@@H](C=1C(N)=O)[*:1])SCc1ccccc1
CC1=C(C(N)=O)[C@H](c2cccc(Br)c2)N2[N-]C(SCc3ccccc3)=NC2=[NH+]1 NC(=O)[*:1] CC1[NH+]=C2N=C([N-]N2[C@H](C=1[*:1])c1cccc(Br)c1)SCc1ccccc1
CC1=C(C(N)=O)[C@H](c2cccc(Br)c2)N2[N-]C(SCc3ccccc3)=NC2=[NH+]1 c1ccc(cc1)[*:1] CC1[NH+]=C2N=C([N-]N2[C@H](C=1C(N)=O)c1cccc(Br)c1)SC[*:1]
CC1=C(C(N)=O)[C@H](c2cccc(Br)c2)N2[N-]C(SCc3ccccc3)=NC2=[NH+]1 c1ccc(cc1)C[*:1] CC1[NH+]=C2N=C([N-]N2[C@H](C=1C(N)=O)c1cccc(Br)c1)S[*:1]
CCc1cc(N2C[C@H]3[C@H]4CC[C@H](O4)[C@H]3C2)nc(N2CCCC2)n1 C1CCN(C1)[*:1] CCc1cc(nc(n1)[*:1])N1C[C@H]2[C@H]3CC[C@H](O3)[C@H]2C1
C[C@H](NC(=O)Nc1ccc([N-]S(C)(=O)=O)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[N-]S(C)(=O)=O)[*:1]
CCC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cc1 CCC(=O)N[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] CC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[*:1]
CN(C(=O)CNC1=NS(=O)(=O)c2ccccc21)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CN(C(=O)CNC1=NS(=O)(=O)c2ccccc21)[*:1]
CC(C)NC(=O)CCNC(=O)c1cccc(-c2nnco2)c1 CC(C)NC(=O)[*:1] O=C(NCC[*:1])c1cccc(c1)-c1nnco1
CC(C)NC(=O)CCNC(=O)c1cccc(-c2nnco2)c1 CC(C)[*:1] O=C(CCNC(=O)c1cccc(c1)-c1nnco1)N[*:1]
CC(C)NC(=O)CCNC(=O)c1cccc(-c2nnco2)c1 c1nnc(o1)[*:1] CC(C)NC(=O)CCNC(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)CCNC(=O)c1cccc(-c2nnco2)c1 CC(C)NC(=O)C[*:1] O=C(NC[*:1])c1cccc(c1)-c1nnco1
COc1cccc(NCC(=O)NNC(=O)c2ccc(Br)cc2F)c1 COc1cccc(c1)[*:1] O=C(CN[*:1])NNC(=O)c1ccc(Br)cc1F
COc1cccc(NCC(=O)NNC(=O)c2ccc(Br)cc2F)c1 Fc1cc(Br)ccc1[*:1] COc1cccc(c1)NCC(=O)NNC(=O)[*:1]
CN(CCOc1ccc(Br)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 Brc1ccc(cc1)[*:1] CN(CCO[*:1])Cc1cc(cc2COCOc21)[N+](=O)[O-]
CN(CCOc1ccc(Br)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 Brc1ccc(cc1)O[*:1] CN(CC[*:1])Cc1cc(cc2COCOc21)[N+](=O)[O-]
CN(CCOc1ccc(Br)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 O=[N+]([O-])[*:1] CN(CCOc1ccc(Br)cc1)Cc1cc(cc2COCOc21)[*:1]
Cc1nc(C2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)no1 c1ccc(nc1)[*:1] Cc1nc(no1)C1CC[NH+](CC1)Cc1cnc(s1)[*:1]
Cc1nc(C2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)no1 Cc1nc(no1)[*:1] c1ccc(nc1)-c1ncc(C[NH+]2CCC(CC2)[*:1])s1
Cc1ccc(N2C(SCc3cccc(F)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 Fc1cccc(c1)C[*:1] Cc1ccc(c(C)c1)N1C(=N[C@H]2CS(=O)(=O)C[C@@H]21)S[*:1]
Cc1ccc(N2C(SCc3cccc(F)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 Fc1cccc(c1)[*:1] Cc1ccc(c(C)c1)N1C(=N[C@H]2CS(=O)(=O)C[C@@H]21)SC[*:1]
Cc1ccc(N2C(SCc3cccc(F)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=S1(=O)C[C@@H]2N=C(SCc3cccc(F)c3)N([C@H]2C1)[*:1]
Nc1nc(CSCCN2C(=O)CNC2=O)nc2ccccc12 O=C1CNC(=O)N1[*:1] Nc1nc(CSCC[*:1])nc2ccccc12
CC1=C[C@H](C)[C@H](CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)[C@H](C)C1 O=C([O-])[*:1] CC1=C[C@H](C)[C@H](CN2C[C@@]34C=C[C@@H](O3)[C@H]([C@@H]4C2=O)[*:1])[C@H](C)C1
Fc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)c(F)c1 C1CC1[*:1] Fc1ccc(CSc2nnc(Cc3cccs3)n2[*:1])c(F)c1
Fc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)c(F)c1 c1csc(c1)[*:1] Fc1ccc(CSc2nnc(C[*:1])n2C2CC2)c(F)c1
Fc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)c(F)c1 c1csc(c1)C[*:1] Fc1ccc(CSc2nnc(n2C2CC2)[*:1])c(F)c1
Fc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)c(F)c1 Fc1ccc(c(F)c1)[*:1] c1csc(c1)Cc1nnc(SC[*:1])n1C1CC1
C=CCn1c(C)c(C)c(=O)c(N2CCOCC2)nc1=S C=CC[*:1] Cc1c(C)n(c(=S)nc(c1=O)N1CCOCC1)[*:1]
C=CCn1c(C)c(C)c(=O)c(N2CCOCC2)nc1=S C1CN(CCO1)[*:1] C=CCn1c(C)c(C)c(=O)c(nc1=S)[*:1]
CCCNC(=O)N(CC[NH+](C)C)CC(C)C CC(C)[*:1] CCCNC(=O)N(CC[NH+](C)C)C[*:1]
CCCNC(=O)N(CC[NH+](C)C)CC(C)C CCC[*:1] CC(C)CN(CC[NH+](C)C)C(=O)N[*:1]
CCCNC(=O)N(CC[NH+](C)C)CC(C)C CC(C)C[*:1] CCCNC(=O)N(CC[NH+](C)C)[*:1]
O=C([O-])CS(=O)(=O)N1CCC1 O=C([O-])[*:1] O=S(=O)(C[*:1])N1CCC1
CN(C)C(=O)c1cc(NC(=O)N[C@@H](c2ccccc2)C2CCC2)ccc1F c1ccc(cc1)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)N[C@@H](C1CCC1)[*:1]
CN(C)C(=O)c1cc(NC(=O)N[C@@H](c2ccccc2)C2CCC2)ccc1F C1CC(C1)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)N[C@@H](c1ccccc1)[*:1]
CN(C)C(=O)c1cc(NC(=O)N[C@@H](c2ccccc2)C2CCC2)ccc1F CN(C)C(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])N[C@@H](c1ccccc1)C1CCC1
COCc1ccc(C(=O)N2CCC[C@H](n3nnc4cc(F)ccc43)C2)o1 COCc1ccc(o1)[*:1] O=C(N1CCC[C@@H](C1)n1nnc2cc(F)ccc21)[*:1]
COCc1ccc(C(=O)N2CCC[C@H](n3nnc4cc(F)ccc43)C2)o1 COC[*:1] O=C(c1ccc(o1)[*:1])N1CCC[C@@H](C1)n1nnc2cc(F)ccc21
Cc1ccc(OC[C@H](O)Cn2cnc3ccc(Br)cc3c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c2cc(Br)ccc2ncn1C[C@@H](O)CO[*:1]
Cc1ccc(OC[C@H](O)Cn2cnc3ccc(Br)cc3c2=O)cc1 Cc1ccc(cc1)O[*:1] O=c1c2cc(Br)ccc2ncn1C[C@@H](O)C[*:1]
O=C1[C@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)CCN2C(=O)[C@@H]2C[C@@H](O)CN12 Clc1ccccc1[*:1] O=C1[C@H]2CN(CCN2C(=O)[C@@H]2C[C@@H](O)CN12)Cc1cnn(c1)[*:1]
COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(C(=O)c3cn(C)nc3OC)C1)CC2 COc1nn(C)cc1[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1cccc(-c2noc(C[S@@](=O)[C@@H](C)c3cccc(C)c3)n2)c1 Cc1cccc(c1)[*:1] COc1cccc(c1)-c1noc(C[S@@](=O)[C@@H](C)[*:1])n1
COc1cccc(-c2noc(C[S@@](=O)[C@@H](C)c3cccc(C)c3)n2)c1 COc1cccc(c1)[*:1] Cc1cccc(c1)[C@H](C)[S@](=O)Cc1nc(no1)[*:1]
O=C(c1cc(F)cc(F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 Fc1cc(F)cc(c1)[*:1] O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)[*:1]
COC(=O)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C[C@@H]2CCCO2)C4)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1cc2OCN(Cc2c2OC(=C[*:1])C(=O)c12)C[C@@H]1CCCO1
COC(=O)c1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(C[C@@H]2CCCO2)C4)cc1 COC(=O)[*:1] Cc1cc2OCN(Cc2c2O/C(=C\c3ccc(cc3)[*:1])C(=O)c12)C[C@@H]1CCCO1
COc1cccc(-n2nnnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1 COc1cccc(c1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnnn1[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2OCc2ccccc2)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)Nc1ccc(C)cc1OCc1ccccc1)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2OCc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1ccc(c(c1)C(=O)Nc1ccc(C)cc1O[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] COc1ccc(c(c1)C(=O)Nc1ccc(C)cc1[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2OCc2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)C(=O)Nc1ccc(C)cc1OC[*:1])[N+](=O)[O-]
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)o1 CC(C)(C)NS(=O)(=O)[*:1] O=C(NCC1(CCOCC1)c1cccc(Cl)c1)c1ccc(o1)[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)o1 Clc1cccc(c1)[*:1] CC(C)(C)NS(=O)(=O)c1ccc(o1)C(=O)NCC1(CCOCC1)[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)o1 CC(C)(C)[*:1] O=C(NCC1(CCOCC1)c1cccc(Cl)c1)c1ccc(o1)S(=O)(=O)N[*:1]
CC(=O)Nc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1 CC(=O)N[*:1] O=C(Nc1ccc(cc1Cl)[*:1])N1CCN(CC1)c1ccccc1
CC(=O)Nc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(NC(=O)N2CCN(CC2)[*:1])c(Cl)c1
Cc1ccnc(Nc2nc(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)cs2)c1 NS(=O)(=O)[*:1] Cc1ccnc(c1)Nc1nc(cs1)CC(=O)NCc1ccc(cc1)[*:1]
Cc1ccnc(Nc2nc(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)cs2)c1 Cc1ccnc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)Cc1csc(n1)N[*:1]
Cc1ccnc(Nc2nc(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)cs2)c1 Cc1ccnc(c1)N[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)Cc1csc(n1)[*:1]
O=C(NC(=S)NCCCN1CCOCC1)c1cccc2c(Br)cccc12 C1CN(CCO1)CC[*:1] O=C(NC(=S)NC[*:1])c1cccc2c(Br)cccc12
O=C(NC(=S)NCCCN1CCOCC1)c1cccc2c(Br)cccc12 C1CN(CCO1)[*:1] O=C(NC(=S)NCCC[*:1])c1cccc2c(Br)cccc12
O=C(NC(=S)NCCCN1CCOCC1)c1cccc2c(Br)cccc12 C1CN(CCO1)C[*:1] O=C(NC(=S)NCC[*:1])c1cccc2c(Br)cccc12
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(C)(C)CC)C1=O CCC[*:1] CCC(C)(C)NC(=O)CN1C(=O)N[C@](C1=O)(c1ccccc1)[*:1]
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(C)(C)CC)C1=O CCC(C)(C)NC(=O)[*:1] CCC[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(C)(C)CC)C1=O c1ccc(cc1)[*:1] CCC[C@@]1(NC(=O)N(CC(=O)NC(C)(C)CC)C1=O)[*:1]
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(C)(C)CC)C1=O CCC(C)(C)[*:1] CCC[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1
O=C(Nc1ccccc1)c1nnc([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)s1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(Nc1ccccc1)c1nnc([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)s1 c1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)[C@H]1CCCN(C1)C(=O)Nc1ccc(F)cc1
O=C(Nc1ccccc1)c1nnc([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)s1 O=C(Nc1ccccc1)[*:1] O=C(Nc1ccc(F)cc1)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
CCC(=O)N1CCC(N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 FC(F)(F)[*:1] CCC(=O)N1CCC(CC1)N[C@@H](c1ccc(F)cc1)[*:1]
CCC(=O)N1CCC(N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 Fc1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)N[C@@H](C(F)(F)F)[*:1]
c1cc2c(cc1Sc1nc(CN3CCOCC3)nc3sc4c(c13)CCCC4)OCCCO2 C1CN(CCO1)C[*:1] c1cc2OCCCOc2cc1Sc1nc(nc2sc3CCCCc3c12)[*:1]
c1cc2c(cc1Sc1nc(CN3CCOCC3)nc3sc4c(c13)CCCC4)OCCCO2 C1CN(CCO1)[*:1] c1cc2OCCCOc2cc1Sc1nc(C[*:1])nc2sc3CCCCc3c12
CCc1ccc(N2C[C@@H](C(=O)Nc3c(F)cc(F)cc3F)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(Nc1c(F)cc(F)cc1F)[C@H]1CC(=O)N(C1)[*:1]
Cc1cc(C)c(CCNC(=O)COc2ccc(C(N)=O)cc2)c(C)c1 NC(=O)[*:1] Cc1cc(C)c(CCNC(=O)COc2ccc(cc2)[*:1])c(C)c1
CC[C@H](C(=O)NC1CCCCC1)n1ccc(C(=O)NC2CCCCC2)n1 C1CCC(CC1)[*:1] CC[C@H](C(=O)NC1CCCCC1)n1ccc(n1)C(=O)N[*:1]
CC[C@H](C(=O)NC1CCCCC1)n1ccc(C(=O)NC2CCCCC2)n1 C1CCC(CC1)[*:1] CC[C@H](C(=O)N[*:1])n1ccc(n1)C(=O)NC1CCCCC1
CN(CCN1CCOCC1)C(=O)Cn1cccc(C(F)(F)F)c1=O C1CN(CCO1)[*:1] CN(CC[*:1])C(=O)Cn1cccc(c1=O)C(F)(F)F
CN(CCN1CCOCC1)C(=O)Cn1cccc(C(F)(F)F)c1=O C1CN(CCO1)C[*:1] CN(C[*:1])C(=O)Cn1cccc(c1=O)C(F)(F)F
CN(CCN1CCOCC1)C(=O)Cn1cccc(C(F)(F)F)c1=O FC(F)(F)[*:1] CN(CCN1CCOCC1)C(=O)Cn1cccc(c1=O)[*:1]
CN(CCN1CCOCC1)C(=O)Cn1cccc(C(F)(F)F)c1=O C1CN(CCO1)CC[*:1] CN(C(=O)Cn1cccc(c1=O)C(F)(F)F)[*:1]
CCn1cc2nc(SCC(=O)Nc3ccc(Br)cc3F)n(CC)c(=O)c2n1 Fc1cc(Br)ccc1[*:1] CCn1cc2nc(SCC(=O)N[*:1])n(CC)c(=O)c2n1
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1 FC(F)(F)[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1 Cc1ccc(s1)[*:1] O=C(c1ccccc1C(F)(F)F)N1CCN(CC1)C(=O)[*:1]
CCN(C)C(=O)NC1(C(N)=S)CCCCCC1 NC(=S)[*:1] CCN(C)C(=O)NC1(CCCCCC1)[*:1]
Cc1cnc(CNS(=O)(=O)N(C)C(C)C)o1 CC(C)[*:1] Cc1cnc(CNS(=O)(=O)N(C)[*:1])o1
CCOc1ccc2nc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(C)=O)C3)sc2c1 CC(=O)[*:1] CCOc1ccc2nc(NC(=O)C3C[C@H](N(N=3)c3ccccc3)[*:1])sc2c1
CCOc1ccc2nc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(C)=O)C3)sc2c1 CCO[*:1] CC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(C)=O)C3)sc2c1 c1ccc(cc1)[*:1] CCOc1ccc2nc(NC(=O)C3C[C@H](C(C)=O)N(N=3)[*:1])sc2c1
CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)s1 C1CC1[*:1] CCc1nc(C)c(s1)[C@H](C)[NH2+]C[C@@H]1CN(CCO1)[*:1]
CCOC(=O)c1cnc2cc(C(=O)OC)ccc2c1N CCOC(=O)[*:1] COC(=O)c1ccc2c(N)c(cnc2c1)[*:1]
CCOC(=O)c1cnc2cc(C(=O)OC)ccc2c1N COC(=O)[*:1] CCOC(=O)c1cnc2cc(ccc2c1N)[*:1]
CCCc1cc(C(N)=O)c(NC(=O)c2ccnn2C)s1 NC(=O)[*:1] CCCc1cc(c(NC(=O)c2ccnn2C)s1)[*:1]
CCCc1cc(C(N)=O)c(NC(=O)c2ccnn2C)s1 CCC[*:1] Cn1nccc1C(=O)Nc1sc(cc1C(N)=O)[*:1]
CCCc1cc(C(N)=O)c(NC(=O)c2ccnn2C)s1 Cn1nccc1[*:1] CCCc1cc(C(N)=O)c(NC(=O)[*:1])s1
Cc1nc(CCNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)sc1C FC(F)(F)C[*:1] Cc1nc(CCNC(=O)N[C@H](c2ccc(F)cc2)[*:1])sc1C
Cc1nc(CCNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)sc1C Cc1nc(C[*:1])sc1C O=C(NC[*:1])N[C@H](CC(F)(F)F)c1ccc(F)cc1
Cc1nc(CCNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)sc1C Fc1ccc(cc1)[*:1] Cc1nc(CCNC(=O)N[C@H](CC(F)(F)F)[*:1])sc1C
Cc1nc(CCNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)sc1C FC(F)(F)[*:1] Cc1nc(CCNC(=O)N[C@H](C[*:1])c2ccc(F)cc2)sc1C
Cc1nc(CCNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)sc1C Cc1nc(sc1C)[*:1] O=C(NCC[*:1])N[C@H](CC(F)(F)F)c1ccc(F)cc1
O=C(Cc1c(Cl)cccc1Cl)NNC(=S)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1c(Cl)cccc1Cl)NNC(=S)N[*:1]
O=C([O-])CC[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 O=C([O-])[*:1] O=C(c1cccc(Cl)c1)N1CC[NH+](CC1)CC[*:1]
O=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] O=C(Cn1cnc(c1)S(=O)(=O)N1CCCC1)N1CCN(CC1)[*:1]
O=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 O=S(=O)(N1CCCC1)[*:1] O=C(Cn1cnc(c1)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(Cn1cnc(c1)S(=O)(=O)N1CCCC1)N1CCN(CC1)C[*:1]
CC(C)(CO)NC(=O)[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 CC(C)(CO)[*:1] O=C(N[*:1])[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
CN(C)C(=O)c1ccc(CN2C[C@H](c3ccccc3)OCC2(C)C)[nH]1 CN(C)C(=O)[*:1] CC1(C)CO[C@H](CN1Cc1ccc([nH]1)[*:1])c1ccccc1
CN(C)C(=O)c1ccc(CN2C[C@H](c3ccccc3)OCC2(C)C)[nH]1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(CN2C[C@H](OCC2(C)C)[*:1])[nH]1
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN1C(=O)COc2ccccc21 Clc1cccc(Cl)c1[*:1] CCN(CC(=O)N[*:1])C(=O)CN1C(=O)COc2ccccc21
Cc1ccc(C)c(C(=O)NCCOc2ccc([N-]S(C)(=O)=O)cc2)c1 Cc1ccc(C)c(c1)[*:1] CS(=O)(=O)[N-]c1ccc(cc1)OCCNC(=O)[*:1]
C[C@H]1CCCN(c2nn3c(C(=O)NCc4ccco4)cc(=O)nc3s2)C1 c1coc(c1)C[*:1] C[C@H]1CCCN(C1)c1nn2c(cc(=O)nc2s1)C(=O)N[*:1]
C[C@H]1CCCN(c2nn3c(C(=O)NCc4ccco4)cc(=O)nc3s2)C1 C[C@H]1CCCN(C1)[*:1] O=C(NCc1ccco1)c1cc(=O)nc2sc(nn12)[*:1]
C[C@H]1CCCN(c2nn3c(C(=O)NCc4ccco4)cc(=O)nc3s2)C1 c1coc(c1)[*:1] C[C@H]1CCCN(C1)c1nn2c(cc(=O)nc2s1)C(=O)NC[*:1]
CCOc1ccc2oc(C)c(C(=O)N3C[C@H]([NH3+])C[C@H]3C(=O)NC(C)C)c2c1 CC(C)[*:1] CCOc1ccc2oc(C)c(C(=O)N3C[C@H]([NH3+])C[C@H]3C(=O)N[*:1])c2c1
CCOc1ccc2oc(C)c(C(=O)N3C[C@H]([NH3+])C[C@H]3C(=O)NC(C)C)c2c1 CC(C)NC(=O)[*:1] CCOc1ccc2oc(C)c(C(=O)N3C[C@H]([NH3+])C[C@@H]3[*:1])c2c1
CCOc1ccc2oc(C)c(C(=O)N3C[C@H]([NH3+])C[C@H]3C(=O)NC(C)C)c2c1 CCO[*:1] Cc1oc2ccc(cc2c1C(=O)N1C[C@H]([NH3+])C[C@H]1C(=O)NC(C)C)[*:1]
CO[C@H](CNC(=O)Nc1cc(C)ccc1C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)Nc1cc(C)ccc1C)[*:1]
C[NH+](C)CC1CCN(C(=O)[C@@](C)(N)C(F)(F)F)CC1 FC(F)(F)[*:1] C[NH+](C)CC1CCN(CC1)C(=O)[C@@](C)(N)[*:1]
CC[C@@H](NC(=O)N[C@H]1C[C@@](C)(OC)C1(C)C)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)N[C@H]1C[C@@](C)(OC)C1(C)C)[*:1]
Cc1c(F)cccc1NC(=O)CNC(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1c(F)cccc1NC(=O)CNC(=O)C[*:1]
CCS(=O)(=O)NCCNC(=O)Nc1cc(F)ccc1C CCS(=O)(=O)N[*:1] Cc1ccc(F)cc1NC(=O)NCC[*:1]
O=C1CC[C@]2(CCOC2)CN1Cc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C1CC[C@]2(CCOC2)CN1Cc1nnc(o1)[*:1]
CCCn1cc(-c2ccncc2)cc1C(=O)NCC[NH+]1CCCCCC1 CCC[*:1] O=C(NCC[NH+]1CCCCCC1)c1cc(cn1[*:1])-c1ccncc1
CCCn1cc(-c2ccncc2)cc1C(=O)NCC[NH+]1CCCCCC1 c1cc(ccn1)[*:1] CCCn1cc(cc1C(=O)NCC[NH+]1CCCCCC1)[*:1]
NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1Br Brc1ccccc1[*:1] NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)[*:1]
NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1Br NS(=O)(=O)[*:1] O=S(=O)([N-]c1ccccc1[*:1])c1ccccc1Br
O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2ccncc2)cs1 Clc1ccccc1[*:1] O=C(CCNC(=O)[*:1])Nc1nc(cs1)-c1ccncc1
O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(cs1)[*:1]
CC(C)=CC[C@@]1(CO)CCCN(C(=O)c2csc(C[NH+](C)C)n2)C1 CC(C)=C[*:1] C[NH+](C)Cc1nc(cs1)C(=O)N1CCC[C@@](CO)(C1)C[*:1]
CC(C)=CC[C@@]1(CO)CCCN(C(=O)c2csc(C[NH+](C)C)n2)C1 CC(C)=CC[*:1] C[NH+](C)Cc1nc(cs1)C(=O)N1CCC[C@](CO)(C1)[*:1]
CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)CO)C2 CN(C)[*:1] O=C(CO)N1CCc2c(C1)nc(nc2[*:1])-c1ccccc1
CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)CO)C2 c1ccc(cc1)[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)CO)[*:1]
O=C(Nc1cccnc1Cl)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 c1cnn(c1)[*:1] O=C(Nc1cccnc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
O=C(Nc1cccnc1Cl)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 Clc1ncccc1[*:1] O=C(N[C@@H]1CCCC[C@H]1n1cccn1)C(=O)N[*:1]
COc1ccc(C(C)=O)c(OS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 CC(=O)[*:1] COc1ccc(c(c1)OS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)[*:1]
C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H](O)[*:1]
O=C(NC1CCCCCC1)[C@H](Sc1cn[nH]n1)c1ccccc1 c1n[nH]nc1S[*:1] O=C(NC1CCCCCC1)[C@H](c1ccccc1)[*:1]
O=C(NC1CCCCCC1)[C@H](Sc1cn[nH]n1)c1ccccc1 C1CCCC(CC1)[*:1] O=C(N[*:1])[C@H](Sc1cn[nH]n1)c1ccccc1
O=C(NC1CCCCCC1)[C@H](Sc1cn[nH]n1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CCCCCC1)[C@H](Sc1cn[nH]n1)[*:1]
O=C(NC1CCCCCC1)[C@H](Sc1cn[nH]n1)c1ccccc1 c1n[nH]nc1[*:1] O=C(NC1CCCCCC1)[C@H](S[*:1])c1ccccc1
CC(C)CNC(=O)[C@H](C)N1CCCN(C[C@@H](C)C[NH3+])CC1 CC(C)CNC(=O)[*:1] C[C@@H](C[NH3+])CN1CCCN(CC1)[C@@H](C)[*:1]
CC(C)CNC(=O)[C@H](C)N1CCCN(C[C@@H](C)C[NH3+])CC1 CC(C)[*:1] C[C@@H](C[NH3+])CN1CCCN(CC1)[C@@H](C)C(=O)NC[*:1]
CC(C)CNC(=O)[C@H](C)N1CCCN(C[C@@H](C)C[NH3+])CC1 CC(C)C[*:1] C[C@@H](C[NH3+])CN1CCCN(CC1)[C@@H](C)C(=O)N[*:1]
C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 c1coc(c1)[*:1] C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)[*:1]
O=C([O-])CCC(=O)Nc1nncs1 O=C([O-])C[*:1] O=C(C[*:1])Nc1nncs1
O=C([O-])CCC(=O)Nc1nncs1 O=C([O-])[*:1] O=C(CC[*:1])Nc1nncs1
CCCNC(=[NH2+])N[C@@H]1CCCCC1(C)C CCC[*:1] CC1(C)CCCC[C@H]1NC(=[NH2+])N[*:1]
C[C@H](OC[C@@H](O)Cn1nc(N(C)C)sc1=S)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](OC[C@@H](O)Cn1nc(sc1=S)N(C)C)[*:1]
C[C@H](OC[C@@H](O)Cn1nc(N(C)C)sc1=S)c1ccc(Cl)cc1 CN(C)[*:1] C[C@H](OC[C@@H](O)Cn1nc(sc1=S)[*:1])c1ccc(Cl)cc1
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(Nc1ccc2OC(F)(F)Oc2c1)c1cc(on1)[*:1]
COc1ccccc1-c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)o1 COc1ccccc1[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(o1)[*:1]
COC(=O)Nc1cccc(NCc2ccc(F)cc2F)c1 COC(=O)N[*:1] Fc1ccc(CNc2cccc(c2)[*:1])c(F)c1
Cc1ccccc1N1C(=S)S[C@H]2C(=O)N=C(SCc3ccccc3F)N=C21 Fc1ccccc1[*:1] Cc1ccccc1N1C(=S)S[C@H]2C(=O)N=C(N=C21)SC[*:1]
Cc1ccccc1N1C(=S)S[C@H]2C(=O)N=C(SCc3ccccc3F)N=C21 Fc1ccccc1C[*:1] Cc1ccccc1N1C(=S)S[C@H]2C(=O)N=C(N=C21)S[*:1]
Cc1ccccc1N1C(=S)S[C@H]2C(=O)N=C(SCc3ccccc3F)N=C21 Cc1ccccc1[*:1] O=C1N=C(N=C2[C@H]1SC(=S)N2[*:1])SCc1ccccc1F
Cc1cccc2[nH+]c(CNC(=O)NCCc3nnc4n3CCC4)cn12 C1Cc2nnc(n2C1)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)NCC[*:1]
CC1CCC(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)CC1 O=C(N[*:1])c1ccco1 CC1CCC(CC1)NC(=O)COc1ccc(cc1)[*:1]
CC1CCC(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)CC1 c1coc(c1)[*:1] CC1CCC(CC1)NC(=O)COc1ccc(cc1)NC(=O)[*:1]
CC1CCC(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)CC1 CC1CCC(CC1)[*:1] O=C(COc1ccc(cc1)NC(=O)c1ccco1)N[*:1]
Cc1ccc(S(=O)(=O)Cc2nnc(-c3ccccc3C)o2)c(C)c1 Cc1ccccc1[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Cc1nnc(o1)[*:1]
Cc1ccc(S(=O)(=O)Cc2nnc(-c3ccccc3C)o2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccccc1-c1nnc(CS(=O)(=O)[*:1])o1
CC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)c1cscc1C FC(F)(F)[*:1] CC[NH2+][C@H](c1cccc(c1)O[*:1])c1cscc1C
CC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)c1cscc1C FC(F)(F)O[*:1] CC[NH2+][C@H](c1cccc(c1)[*:1])c1cscc1C
CC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)c1cscc1C Cc1cscc1[*:1] CC[NH2+][C@H](c1cccc(c1)OC(F)(F)F)[*:1]
Cc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] Cc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)c(c1)[*:1]
Cc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] Cc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)c(c1)O[*:1]
Cc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)c(c1)OC[*:1]
Cc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)c(OC[C@@H]2CCCO2)c1 C1CC1[*:1] Cc1ccc(NC(=O)N2CCOC[C@@H]2[*:1])c(c1)OC[C@@H]1CCCO1
CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)N1CCc2ccccc21
Cc1ccc(-n2nnnc2SCC(=O)N[C@H]2CCCC[C@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnnn1[*:1]
CC[C@@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccccc2)ccc1=O Cc1cccc(c1C)[*:1] CC[C@@H](C(=O)N[*:1])n1nc(ccc1=O)-c1ccccc1
CC[C@@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1cccc(C)c1C)n1nc(ccc1=O)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](C)N=C1C(=O)NC1CC1 CC(C)OC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)NC1CC1
CC1=C(C(=O)OC(C)C)[C@@H](C)N=C1C(=O)NC1CC1 C1CC1[*:1] CC1C(=N[C@H](C)C=1C(=O)OC(C)C)C(=O)N[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](C)N=C1C(=O)NC1CC1 CC(C)[*:1] CC1C(=N[C@H](C)C=1C(=O)O[*:1])C(=O)NC1CC1
CC(C)[C@@H](NC(=O)N1CCCCCC1)c1ccc2c(c1)OCCO2 CC(C)[*:1] O=C(N[C@@H](c1ccc2OCCOc2c1)[*:1])N1CCCCCC1
CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1 FC(F)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)c1ccc(F)cc1O[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)C1 FC(F)O[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)c1ccc(F)cc1[*:1]
C/C=C/C=N/NC(=O)[C@@H](O)c1ccccc1 CC=C[*:1] O=C(NN=C[*:1])[C@@H](O)c1ccccc1
CC(C)c1ccccc1-n1c(SCc2cccnc2)nnc1-c1cccnc1 c1cncc(c1)[*:1] CC(C)c1ccccc1-n1c(nnc1-c1cccnc1)SC[*:1]
CC(C)c1ccccc1-n1c(SCc2cccnc2)nnc1-c1cccnc1 CC(C)c1ccccc1[*:1] c1cncc(c1)CSc1nnc(-c2cccnc2)n1[*:1]
CC(C)c1ccccc1-n1c(SCc2cccnc2)nnc1-c1cccnc1 c1cncc(c1)C[*:1] CC(C)c1ccccc1-n1c(nnc1-c1cccnc1)S[*:1]
CC(C)c1ccccc1-n1c(SCc2cccnc2)nnc1-c1cccnc1 c1cncc(c1)[*:1] CC(C)c1ccccc1-n1c(nnc1[*:1])SCc1cccnc1
CC(C)c1ccccc1-n1c(SCc2cccnc2)nnc1-c1cccnc1 c1cncc(c1)CS[*:1] CC(C)c1ccccc1-n1c(nnc1[*:1])-c1cccnc1
CC(C)c1ccccc1-n1c(SCc2cccnc2)nnc1-c1cccnc1 CC(C)[*:1] c1cncc(c1)CSc1nnc(-c2cccnc2)n1-c1ccccc1[*:1]
Cc1ccccc1CNc1ccc(C(=O)[O-])c(F)c1F O=C([O-])[*:1] Cc1ccccc1CNc1ccc(c(F)c1F)[*:1]
CC(C)(CNC(=O)Nc1ccc(F)cc1OCC(F)F)C(N)=O CC(C)(C[*:1])C(N)=O O=C(Nc1ccc(F)cc1OCC(F)F)N[*:1]
CC(C)(CNC(=O)Nc1ccc(F)cc1OCC(F)F)C(N)=O FC(F)CO[*:1] CC(C)(CNC(=O)Nc1ccc(F)cc1[*:1])C(N)=O
CC(C)(CNC(=O)Nc1ccc(F)cc1OCC(F)F)C(N)=O CC(C)(C(N)=O)[*:1] O=C(NC[*:1])Nc1ccc(F)cc1OCC(F)F
CC(C)(CNC(=O)Nc1ccc(F)cc1OCC(F)F)C(N)=O FC(F)C[*:1] CC(C)(CNC(=O)Nc1ccc(F)cc1O[*:1])C(N)=O
CC(C)(CNC(=O)Nc1ccc(F)cc1OCC(F)F)C(N)=O FC(F)[*:1] CC(C)(CNC(=O)Nc1ccc(F)cc1OC[*:1])C(N)=O
CC(C)(CNC(=O)Nc1ccc(F)cc1OCC(F)F)C(N)=O NC(=O)[*:1] CC(C)(CNC(=O)Nc1ccc(F)cc1OCC(F)F)[*:1]
C[NH+](C)[C@H]1CCN(c2nc3ccc(Cl)cc3s2)C[C@H]1CCCO OCCC[*:1] C[NH+](C)[C@H]1CCN(C[C@@H]1[*:1])c1nc2ccc(Cl)cc2s1
C[NH+](C)[C@H]1CCN(c2nc3ccc(Cl)cc3s2)C[C@H]1CCCO OCC[*:1] C[NH+](C)[C@H]1CCN(C[C@H]1C[*:1])c1nc2ccc(Cl)cc2s1
COc1ccc(CC(=O)N2CCN(c3ncccc3F)CC2)c(Cl)c1 Fc1cccnc1[*:1] COc1ccc(CC(=O)N2CCN(CC2)[*:1])c(Cl)c1
Cc1ccc(-n2c(SCC(=O)NC(N)=O)nc3ccccc32)cc1 NC(=O)NC(=O)CS[*:1] Cc1ccc(cc1)-n1c(nc2ccccc21)[*:1]
Cc1ccc(-n2c(SCC(=O)NC(N)=O)nc3ccccc32)cc1 NC(=O)NC(=O)C[*:1] Cc1ccc(cc1)-n1c(nc2ccccc21)S[*:1]
Cc1ccc(-n2c(SCC(=O)NC(N)=O)nc3ccccc32)cc1 Cc1ccc(cc1)[*:1] NC(=O)NC(=O)CSc1nc2ccccc2n1[*:1]
Cc1ccc(-n2c(SCC(=O)NC(N)=O)nc3ccccc32)cc1 NC(=O)NC(=O)[*:1] Cc1ccc(cc1)-n1c(nc2ccccc21)SC[*:1]
C[C@H]1CN(C(=O)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c2ccccc21 Fc1cccc(c1)[*:1] C[C@H]1CN(C(=O)C(=O)NC[C@H](N(C)C)[*:1])c2ccccc21
C[C@H]1CN(C(=O)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c2ccccc21 CN(C)[*:1] C[C@H]1CN(C(=O)C(=O)NC[C@H](c2cccc(F)c2)[*:1])c2ccccc21
Cc1ccc(C(C)(C)CC(=O)NCC(C)(C)c2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)C(C)(C)CC(=O)NCC(C)(C)[*:1]
Cc1ccc(C(C)(C)CC(=O)NCC(C)(C)c2ccncc2)cc1 Cc1ccc(cc1)[*:1] CC(C)(CNC(=O)CC(C)(C)[*:1])c1ccncc1
Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)no1 Cc1cc(no1)[*:1] CC(C)(C)[C@@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)no1 CC(C)(C)[*:1] Cc1cc(no1)C(=O)Nc1sc2C[C@H](CCc2c1C#N)[*:1]
CN(C)S(=O)(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] CN(C)S(=O)(=O)N(C)[C@H]1CCN(C1=O)[*:1]
O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 O=C(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(CC1)c1cc[nH+]cc1
C[C@H](C[C@H]1CCC[NH2+]1)Nc1cc([N+](=O)[O-])c(F)cc1F O=[N+]([O-])[*:1] C[C@H](C[C@H]1CCC[NH2+]1)Nc1cc(c(F)cc1F)[*:1]
CSCC[C@@H](CO)Nc1nc(C2CCCC2)[nH+]c2c1CC[NH2+]CC2 CSC[*:1] OC[C@H](C[*:1])Nc1nc([nH+]c2CC[NH2+]CCc12)C1CCCC1
CSCC[C@@H](CO)Nc1nc(C2CCCC2)[nH+]c2c1CC[NH2+]CC2 C1CCC(C1)[*:1] CSCC[C@@H](CO)Nc1nc([nH+]c2CC[NH2+]CCc12)[*:1]
CSCC[C@@H](CO)Nc1nc(C2CCCC2)[nH+]c2c1CC[NH2+]CC2 CSCC[C@@H](CO)[*:1] C1CCC(C1)c1nc(N[*:1])c2CC[NH2+]CCc2[nH+]1
CSCC[C@@H](CO)Nc1nc(C2CCCC2)[nH+]c2c1CC[NH2+]CC2 CSCC[C@@H](CO)N[*:1] C1CCC(C1)c1nc(c2CC[NH2+]CCc2[nH+]1)[*:1]
CSCC[C@@H](CO)Nc1nc(C2CCCC2)[nH+]c2c1CC[NH2+]CC2 CSCC[*:1] OC[C@@H](Nc1nc([nH+]c2CC[NH2+]CCc12)C1CCCC1)[*:1]
CC(=O)c1ccc(N2C(=O)C[C@H](SCC[NH3+])C2=O)cc1 CC(=O)[*:1] [NH3+]CCS[C@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
Cc1ccccc1[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[*:1]
Cc1ccccc1[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[*:1]
Cc1c(NC(=O)COc2ccc(Oc3ccccc3)cc2)cccc1C(=O)N1CCCC1 c1ccc(cc1)O[*:1] Cc1c(cccc1C(=O)N1CCCC1)NC(=O)COc1ccc(cc1)[*:1]
Cc1c(NC(=O)COc2ccc(Oc3ccccc3)cc2)cccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1c(cccc1[*:1])NC(=O)COc1ccc(cc1)Oc1ccccc1
Cc1c(NC(=O)COc2ccc(Oc3ccccc3)cc2)cccc1C(=O)N1CCCC1 c1ccc(cc1)[*:1] Cc1c(cccc1C(=O)N1CCCC1)NC(=O)COc1ccc(cc1)O[*:1]
CCCOC1(CNC(=O)C(=O)Nc2cccn(C)c2=O)CCCCC1 CCC[*:1] Cn1cccc(NC(=O)C(=O)NCC2(CCCCC2)O[*:1])c1=O
CCCOC1(CNC(=O)C(=O)Nc2cccn(C)c2=O)CCCCC1 Cn1cccc(c1=O)[*:1] CCCOC1(CCCCC1)CNC(=O)C(=O)N[*:1]
CCCOC1(CNC(=O)C(=O)Nc2cccn(C)c2=O)CCCCC1 CCCO[*:1] Cn1cccc(NC(=O)C(=O)NCC2(CCCCC2)[*:1])c1=O
COC(=O)c1cc(C(=O)N2CC[C@@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1 COC(=O)[*:1] O=C(c1cc(cc(c1)[*:1])[N+](=O)[O-])N1CC[C@@H]2CCCC[C@H]21
COC(=O)c1cc(C(=O)N2CC[C@@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cc(cc(c1)[*:1])C(=O)N1CC[C@@H]2CCCC[C@H]21
COc1cccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c1 COc1cccc(c1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC[*:1]
COc1cccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c1 NC(=O)[*:1] COc1cccc(c1)CCC(=O)N1Cc2ccccc2C[C@@H]1[*:1]
COC[C@H](O)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 COC[C@H](O)C[*:1] O=S(=O)(N[*:1])c1c[nH]c2nccc(Cl)c12
COC[C@H](O)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 COC[C@H](O)[*:1] O=S(=O)(NC[*:1])c1c[nH]c2nccc(Cl)c12
COC[C@H](O)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 COC[*:1] O=S(=O)(NC[C@@H](O)[*:1])c1c[nH]c2nccc(Cl)c12
C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)c1cccc(Cl)c1Cl)[*:1]
Cc1csc(NC(=O)C[NH+](C)Cc2cccc3ccccc23)n1 Cc1csc(n1)[*:1] C[NH+](CC(=O)N[*:1])Cc1cccc2ccccc12
C[C@H](C(=O)O[C@H]1C(=O)N(c2ccccc2)CC1(C)C)N1C(=O)c2ccccc2C1=O c1ccc(cc1)[*:1] C[C@H](C(=O)O[C@H]1C(=O)N(CC1(C)C)[*:1])N1C(=O)c2ccccc2C1=O
CCN(CC#N)C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)C[*:1] CCN(CC#N)C(=O)[C@H]1CCCN1C(=O)O[*:1]
CCN(CC#N)C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F N#CC[*:1] CCN(C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[*:1]
CCN(CC#N)C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)[*:1] CCN(CC#N)C(=O)[C@H]1CCCN1C(=O)OC[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H]2CCC[C@@H]21 c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])N1CCC[C@H]2CCC[C@@H]21
CC(=NNC(=O)c1ccccc1)c1cccc(N)c1 c1ccc(cc1)[*:1] CC(=NNC(=O)[*:1])c1cccc(N)c1
CC(=O)Nc1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1 CC(=O)N[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NCc1cccc(c1)[*:1]
C[C@H](NC(=O)CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)O1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](NC(=O)CS[C@@H]1NN=C(O1)C1C[NH+]=c2ccccc2=1)[*:1]
CCc1noc(CN(C)C(=O)N[C@@H](C)CC(=O)NC(C)C)n1 CCc1noc(n1)[*:1] CC(C)NC(=O)C[C@H](C)NC(=O)N(C)C[*:1]
CCc1noc(CN(C)C(=O)N[C@@H](C)CC(=O)NC(C)C)n1 CC(C)[*:1] CCc1noc(CN(C)C(=O)N[C@@H](C)CC(=O)N[*:1])n1
CCc1noc(CN(C)C(=O)N[C@@H](C)CC(=O)NC(C)C)n1 CC(C)NC(=O)C[*:1] CCc1noc(CN(C)C(=O)N[C@@H](C)[*:1])n1
CCc1noc(CN(C)C(=O)N[C@@H](C)CC(=O)NC(C)C)n1 CC(C)NC(=O)[*:1] CCc1noc(CN(C)C(=O)N[C@@H](C)C[*:1])n1
COc1cccc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C[C@H](O)CO[*:1]
COc1cccc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1 COc1cccc(c1)O[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C[C@H](O)C[*:1]
COc1cccc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1 Cc1ccc(Cl)cc1[*:1] COc1cccc(c1)OC[C@@H](O)CN1CCN(CC1)[*:1]
O=C(C[C@@H](O)c1ccccc1)N1CCCCC[C@H]1c1ccco1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N1CCCCC[C@H]1c1ccco1
O=C(C[C@@H](O)c1ccccc1)N1CCCCC[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCCCC[C@@H]1[*:1]
CCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc2c1=O CCC[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1[*:1])C(=O)Nc1ccccc1C#N
CCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc2c1=O N#Cc1ccccc1[*:1] CCCn1c(nc2cc(Cl)ccc2c1=O)S[C@H](C)C(=O)N[*:1]
C[NH+](C)C[C@H](O)CNC(=O)CCc1ccco1 c1coc(c1)[*:1] C[NH+](C)C[C@H](O)CNC(=O)CC[*:1]
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(Cl)c(C(N)=O)c1 NC(=O)[*:1] CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(Cl)c(c1)[*:1]
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(Cl)c(C(N)=O)c1 CC[C@H](C)[*:1] C[C@@H](Nc1ccc(Cl)c(c1)C(N)=O)C(=O)Nc1ccccc1[*:1]
CC[C@@H](NC(=O)Nc1cc(C)ccc1F)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NC(=O)Nc1cc(C)ccc1F)c1nc(cs1)[*:1]
CC[C@@H](NC(=O)Nc1cc(C)ccc1F)c1nc(C(F)(F)F)cs1 Cc1ccc(F)c(c1)[*:1] CC[C@@H](NC(=O)N[*:1])c1nc(cs1)C(F)(F)F
C=CCNC(=O)COc1ccc(Cl)c(Cl)c1 C=CC[*:1] O=C(COc1ccc(Cl)c(Cl)c1)N[*:1]
CC1(C)CCC[C@@H]1[NH2+]CC1CC1 C1CC1C[*:1] CC1(C)CCC[C@@H]1[NH2+][*:1]
CC1(C)CCC[C@@H]1[NH2+]CC1CC1 C1CC1[*:1] CC1(C)CCC[C@@H]1[NH2+]C[*:1]
COc1ccc2c(CC(=O)N[C@@H](C)c3ccccn3)coc2c1 c1ccc(nc1)[*:1] COc1ccc2c(coc2c1)CC(=O)N[C@@H](C)[*:1]
C[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 C1CC1[*:1] C[C@@H](NC(=O)[*:1])C(=O)NNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
C[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=C(N[*:1])C1CC1 C[C@@H](C(=O)NNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1)[*:1]
C[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] C[C@@H](NC(=O)C1CC1)C(=O)NNC(=O)c1ccc(cc1)[*:1]
CCc1cccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)c1 CCc1cccc(c1)[*:1] CC1(C)C(=O)N(CC(=O)N[*:1])c2ccc(cc21)S(=O)(=O)N1CCCC1
CCc1cccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)c1 O=S(=O)(N1CCCC1)[*:1] CCc1cccc(c1)NC(=O)CN1C(=O)C(C)(C)c2cc(ccc21)[*:1]
CC[C@H]1Oc2ccc(NC(=O)c3ccc(OC)cc3)cc2CN(Cc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CC[C@H]1Oc2ccc(cc2CN(C[*:1])C1=O)NC(=O)c1ccc(cc1)OC
CC[C@H]1Oc2ccc(NC(=O)c3ccc(OC)cc3)cc2CN(Cc2ccc(Cl)cc2)C1=O COc1ccc(cc1)[*:1] CC[C@H]1Oc2ccc(cc2CN(Cc2ccc(Cl)cc2)C1=O)NC(=O)[*:1]
CC[C@H]1Oc2ccc(NC(=O)c3ccc(OC)cc3)cc2CN(Cc2ccc(Cl)cc2)C1=O COc1ccc(cc1)C(=O)N[*:1] CC[C@H]1Oc2ccc(cc2CN(Cc2ccc(Cl)cc2)C1=O)[*:1]
CC[C@H]1Oc2ccc(NC(=O)c3ccc(OC)cc3)cc2CN(Cc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)C[*:1] CC[C@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)c1ccc(cc1)OC
Cn1ccnc1[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(F)cc1 CC(C)(C)C(=O)NC[*:1] Cn1ccnc1[C@H](NC(=O)[*:1])c1ccc(F)cc1
Cn1ccnc1[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(F)cc1 CC(C)(C)[*:1] Cn1ccnc1[C@H](NC(=O)CNC(=O)[*:1])c1ccc(F)cc1
Cn1ccnc1[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(F)cc1 Cn1ccnc1[*:1] CC(C)(C)C(=O)NCC(=O)N[C@H](c1ccc(F)cc1)[*:1]
Cn1ccnc1[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)CNC(=O)C(C)(C)C)[*:1]
Cn1ccnc1[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(F)cc1 CC(C)(C)C(=O)N[*:1] Cn1ccnc1[C@H](NC(=O)C[*:1])c1ccc(F)cc1
COC(=O)c1cnn2c1ncc1c(=O)n(-c3cccc(C)c3)ccc12 COC(=O)[*:1] Cc1cccc(c1)-n1ccc2c(cnc3c(cnn32)[*:1])c1=O
COC(=O)c1cnn2c1ncc1c(=O)n(-c3cccc(C)c3)ccc12 Cc1cccc(c1)[*:1] COC(=O)c1cnn2c1ncc1c(=O)n(ccc12)[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(C)(=O)=O)CC3)CC2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(-c2cc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)no2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1cc(no1)C(=O)N[C@H]1CCCc2c1cnn2[*:1]
COc1ccc(-c2cc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)no2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(no1)C(=O)N[C@H]1CCCc2c1cnn2C[*:1]
COc1ccc(-c2cc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)no2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(on1)[*:1]
O=C(C[C@@H]1OCCN(Cc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(C[C@@H]1OCCN(C[*:1])C1=O)Nc1ccc2OCOc2c1
O=C(C[C@@H]1OCCN(Cc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(C[C@@H]1OCCN(Cc2ccccc2)C1=O)N[*:1]
O=C(C[C@@H]1OCCN(Cc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] O=C(C[C@@H]1OCCN(C1=O)[*:1])Nc1ccc2OCOc2c1
CC(C)(C)C(=O)N1C(=O)c2cccc(N)c2C1=O CC(C)(C)[*:1] Nc1cccc2C(=O)N(C(=O)c12)C(=O)[*:1]
O=C(C1CCCC1)N1CCC[C@H]1Cn1nc(-c2cccs2)ccc1=O c1csc(c1)[*:1] O=C(C1CCCC1)N1CCC[C@H]1Cn1nc(ccc1=O)[*:1]
O=C(C1CCCC1)N1CCC[C@H]1Cn1nc(-c2cccs2)ccc1=O C1CCC(C1)[*:1] O=C(N1CCC[C@H]1Cn1nc(ccc1=O)-c1cccs1)[*:1]
CCC(CC)[NH+](Cc1cnn2c1NCCC2)CC(C)C CC(C)C[*:1] CCC(CC)[NH+](Cc1cnn2CCCNc12)[*:1]
CCC(CC)[NH+](Cc1cnn2c1NCCC2)CC(C)C CC(C)[*:1] CCC(CC)[NH+](Cc1cnn2CCCNc12)C[*:1]
CCC(CC)[NH+](Cc1cnn2c1NCCC2)CC(C)C CCC(CC)[*:1] CC(C)C[NH+](Cc1cnn2CCCNc12)[*:1]
CCC[C@@H]1[C@H](C)CCCN1C(=O)N[C@@H](C)c1ncc(C)s1 Cc1cnc(s1)[*:1] CCC[C@@H]1[C@H](C)CCCN1C(=O)N[C@@H](C)[*:1]
CCC[C@@H]1[C@H](C)CCCN1C(=O)N[C@@H](C)c1ncc(C)s1 CCC[*:1] Cc1cnc(s1)[C@H](C)NC(=O)N1CCC[C@@H](C)[C@H]1[*:1]
C=CCNc1nc([C@@]2(C)C[C@@]3(C[C@@H](C)OC3=O)C(=O)O2)cs1 C=CCN[*:1] C[C@@H]1C[C@@]2(C[C@@](C)(OC2=O)c2csc(n2)[*:1])C(=O)O1
C=CCNc1nc([C@@]2(C)C[C@@]3(C[C@@H](C)OC3=O)C(=O)O2)cs1 C=CC[*:1] C[C@@H]1C[C@@]2(C[C@@](C)(OC2=O)c2csc(n2)N[*:1])C(=O)O1
OC1=Nc2c(ncn2-c2cccc(Cl)c2)[C@H](c2ccccc2)C1 Clc1cccc(c1)[*:1] OC1C[C@@H](c2ccccc2)c2ncn(c2N=1)[*:1]
OC1=Nc2c(ncn2-c2cccc(Cl)c2)[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] OC1C[C@@H](c2ncn(-c3cccc(Cl)c3)c2N=1)[*:1]
N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 Clc1ccc(cc1)[*:1] N#CC(=C[*:1])c1nc(cs1)-c1cc2ccccc2oc1=O
CC(C)C(=O)c1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1 c1cncc(c1)[*:1] CC(C)C(=O)c1ccccc1NC(=O)CCc1nc(no1)[*:1]
CC(C)C(=O)c1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1 CC(C)[*:1] O=C(CCc1nc(no1)-c1cccnc1)Nc1ccccc1C(=O)[*:1]
CC(C)C(=O)c1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1 CC(C)C(=O)[*:1] O=C(CCc1nc(no1)-c1cccnc1)Nc1ccccc1[*:1]
Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 Cc1ccc(cc1)[*:1] C[C@H](Sc1nnc(o1)-c1ccc2OCOc2c1)C(=O)[*:1]
CCC[C@H](c1ccccc1)[C@@](C)(O)C(=O)[O-] CCC[*:1] C[C@](O)(C(=O)[O-])[C@@H](c1ccccc1)[*:1]
CCC[C@H](c1ccccc1)[C@@](C)(O)C(=O)[O-] O=C([O-])[*:1] CCC[C@H](c1ccccc1)[C@@](C)(O)[*:1]
Cc1cccc(OCCCCC(=O)N2CCC[NH+](C(C)C)CC2)c1 Cc1cccc(c1)[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)CCCCO[*:1]
Cc1cccc(OCCCCC(=O)N2CCC[NH+](C(C)C)CC2)c1 Cc1cccc(c1)O[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)CCCC[*:1]
Cc1cccc(OCCCCC(=O)N2CCC[NH+](C(C)C)CC2)c1 CC(C)[*:1] Cc1cccc(c1)OCCCCC(=O)N1CCC[NH+](CC1)[*:1]
CCSc1ncc(CN2CCc3[nH]c[nH+]c3[C@H]2c2ccc(Cl)nc2)cn1 CCS[*:1] Clc1ccc(cn1)[C@@H]1c2[nH+]c[nH]c2CCN1Cc1cnc(nc1)[*:1]
CCSc1ncc(CN2CCc3[nH]c[nH+]c3[C@H]2c2ccc(Cl)nc2)cn1 Clc1ccc(cn1)[*:1] CCSc1ncc(cn1)CN1CCc2[nH]c[nH+]c2[C@@H]1[*:1]
CCn1cc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 C1CCC(CC1)C[*:1] CCn1cc(C(=O)N2CCN(CC2)C(=O)C[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
CCn1cc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 C1CCC(CC1)[*:1] CCn1cc(C(=O)N2CCN(CC2)C(=O)CC[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
CCn1cc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] CCn1cc(C(=O)N2CCN(CC2)C(=O)CCC2CCCCC2)c2nn(c(=O)c-2c1)[*:1]
CCn1cc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 C1CCC(CC1)CC[*:1] CCn1cc(C(=O)N2CCN(CC2)C(=O)[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
Cc1ncc(C(=O)[O-])cc1C#N O=C([O-])[*:1] Cc1ncc(cc1C#N)[*:1]
CC(C)=C[C@@H]1[C@H](/C([O-])=N/S(=O)(=O)c2ccccc2C)C1(C)C Cc1ccccc1[*:1] CC(C)=C[C@@H]1[C@H](/C([O-])=N/S(=O)(=O)[*:1])C1(C)C
CC(C)=C[C@@H]1[C@H](/C([O-])=N/S(=O)(=O)c2ccccc2C)C1(C)C CC(C)=C[*:1] Cc1ccccc1S(=O)(=O)/N=C(\[O-])[C@H]1[C@H](C1(C)C)[*:1]
CC(C)[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(NCc1ccc2OCOc2c1)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC(C)[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O c1cc2OCOc2cc1[*:1] CC(C)[C@H](C(=O)NC[*:1])N1C(=O)c2ccccc2C1=O
Cc1occc1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 Cc1occc1[*:1] O=C(Nc1cccc(c1)-c1ccc2OCCc2c1)[*:1]
CC(C)[C@H](N[C@H](C)C(=O)NC(N)=O)c1ccccc1 NC(=O)NC(=O)[*:1] CC(C)[C@H](N[C@H](C)[*:1])c1ccccc1
CC(C)[C@H](N[C@H](C)C(=O)NC(N)=O)c1ccccc1 CC(C)[*:1] C[C@@H](N[C@H](c1ccccc1)[*:1])C(=O)NC(N)=O
CC(C)[C@H](N[C@H](C)C(=O)NC(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](N[C@H](C)C(=O)NC(N)=O)[*:1]
Cc1nn(C)c(C)c1CCC(=O)N1CCN(C(=O)c2ccccc2F)CC1 Cc1nn(C)c(C)c1C[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccccc1F
Cc1nn(C)c(C)c1CCC(=O)N1CCN(C(=O)c2ccccc2F)CC1 Cc1nn(C)c(C)c1[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)c1ccccc1F
Cc1nn(C)c(C)c1CCC(=O)N1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1nn(C)c(C)c1CCC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc5c(cc43)OCO5)cc2)cc1 Cc1ccc(cc1)C[*:1] N#CC1=C(N)Oc2cc3OCOc3cc2[C@H]1c1ccc(cc1)O[*:1]
Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc5c(cc43)OCO5)cc2)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc3OCOc3cc2[C@H]1c1ccc(cc1)OC[*:1]
Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc5c(cc43)OCO5)cc2)cc1 Cc1ccc(cc1)CO[*:1] N#CC1=C(N)Oc2cc3OCOc3cc2[C@H]1c1ccc(cc1)[*:1]
Cc1cccc(C)c1OC[C@H](O)Cn1c(C2CC2)nc2ccccc21 Cc1cccc(C)c1[*:1] O[C@@H](CO[*:1])Cn1c(nc2ccccc21)C1CC1
Cc1cccc(C)c1OC[C@H](O)Cn1c(C2CC2)nc2ccccc21 C1CC1[*:1] Cc1cccc(C)c1OC[C@H](O)Cn1c(nc2ccccc21)[*:1]
Cc1c(C(=O)N(C)Cc2csc(-c3ccccc3)n2)cnc2ccnn12 c1ccc(cc1)[*:1] Cc1c(cnc2ccnn12)C(=O)N(C)Cc1csc(n1)[*:1]
C=CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2C(=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] C=CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2C(=O)N[*:1]
C=CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2C(=O)Nc1cc(F)ccc1F C=CC[*:1] O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C(=O)N=C(N=C2N1)S[*:1]
CC(=O)N(c1ccccc1)c1nc(-c2nc3cc(Cl)ccc3n2C)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)-c1nc2cc(Cl)ccc2n1C)[*:1]
N#C/C(=C/c1cc(Br)cs1)c1nc(-c2ccc(C#N)cc2)cs1 Brc1csc(c1)[*:1] N#CC(=C[*:1])c1nc(cs1)-c1ccc(C#N)cc1
COc1ccc(F)cc1NC(=O)c1cccc(Nc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] COc1ccc(F)cc1NC(=O)c1cccc(c1)N[*:1]
COc1ccc(F)cc1NC(=O)c1cccc(Nc2cnn(C)c2)c1 Cn1cc(cn1)N[*:1] COc1ccc(F)cc1NC(=O)c1cccc(c1)[*:1]
CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)[N-]c1ccccc1[*:1]
CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)[*:1]
Cc1nc2n(n1)C[C@@H](Nc1nc3c(cnn3C(C)(C)C)c(=O)[nH]1)CC2 CC(C)(C)[*:1] Cc1nc2CC[C@@H](Cn2n1)Nc1nc2c(cnn2[*:1])c(=O)[nH]1
Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3C)n2N)cc1 Cc1c(F)cccc1[*:1] Cc1ccc(/C=N/Nc2nnc(SCC(=O)N[*:1])n2N)cc1
Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3C)n2N)cc1 Cc1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)CSc1nnc(NN=C[*:1])n1N
C[C@H]1C[C@H](C)C[NH+](CCCCCn2cncn2)C1 c1ncn(n1)[*:1] C[C@H]1C[C@H](C)C[NH+](CCCCC[*:1])C1
C[C@H]1C[C@H](C)C[NH+](CCCCCn2cncn2)C1 c1ncn(C[*:1])n1 C[C@H]1C[C@H](C)C[NH+](CCCC[*:1])C1
COc1ccc(C[C@H](C(=O)Nc2ccccc2)[C@@H](C)C(=O)[O-])cc1 COc1ccc(cc1)[*:1] C[C@@H](C(=O)[O-])[C@H](C[*:1])C(=O)Nc1ccccc1
COc1ccc(C[C@H](C(=O)Nc2ccccc2)[C@@H](C)C(=O)[O-])cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C[C@H](C(=O)N[*:1])[C@@H](C)C(=O)[O-]
CN(C[C@@H](O)C1CC1)C(=O)Cc1csc(-c2ccccc2)n1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)Cc1csc(n1)-c1ccccc1
CN(C[C@@H](O)C1CC1)C(=O)Cc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CN(C[C@@H](O)C1CC1)C(=O)Cc1csc(n1)[*:1]
C[NH+](CC(=O)NC1CC1)Cc1ccc(Cl)nc1 C1CC1[*:1] C[NH+](CC(=O)N[*:1])Cc1ccc(Cl)nc1
CCCOc1cc(N2CCN(C(=O)C(C)C)CC2)nc(C)n1 CCC[*:1] Cc1nc(cc(n1)N1CCN(CC1)C(=O)C(C)C)O[*:1]
CCCOc1cc(N2CCN(C(=O)C(C)C)CC2)nc(C)n1 CCCO[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)C(C)C
CCCOc1cc(N2CCN(C(=O)C(C)C)CC2)nc(C)n1 CC(C)[*:1] CCCOc1cc(nc(C)n1)N1CCN(CC1)C(=O)[*:1]
C[C@H](Nc1ccc([N+](=O)[O-])cc1C(N)=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](Nc1ccc(cc1C(N)=O)[N+](=O)[O-])[*:1]
C[C@H](Nc1ccc([N+](=O)[O-])cc1C(N)=O)c1cccc(Cl)c1 O=[N+]([O-])[*:1] C[C@H](Nc1ccc(cc1C(N)=O)[*:1])c1cccc(Cl)c1
C[C@H](Nc1ccc([N+](=O)[O-])cc1C(N)=O)c1cccc(Cl)c1 NC(=O)[*:1] C[C@H](Nc1ccc(cc1[*:1])[N+](=O)[O-])c1cccc(Cl)c1
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc(OC(F)F)cc1 Clc1cc(Cl)cc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1ccc(cc1)OC(F)F
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc(cc1)O[*:1]
C#CCNC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 C#CC[*:1] O=C(N[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
CC1=NN(c2ccccc2)[C@H](Cl)[C@@H]1/C=N/NC(=O)C[C@H]1N=NC(=O)NC1=O c1ccc(cc1)[*:1] CC1=NN([C@H](Cl)[C@@H]1/C=N/NC(=O)C[C@H]1N=NC(=O)NC1=O)[*:1]
C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(O)cc2)CN1c1ccccc1 Oc1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)NCC[*:1]
C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(O)cc2)CN1c1ccccc1 Oc1ccc(cc1)C[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)NC[*:1]
C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(O)cc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1[*:1])NC(=O)NCCc1ccc(O)cc1
COC[C@@H](NS(=O)(=O)c1ccc(C)cc1F)c1ccc(C)o1 COC[*:1] Cc1ccc(c(F)c1)S(=O)(=O)N[C@@H](c1ccc(C)o1)[*:1]
COC[C@@H](NS(=O)(=O)c1ccc(C)cc1F)c1ccc(C)o1 Cc1ccc(o1)[*:1] COC[C@@H](NS(=O)(=O)c1ccc(C)cc1F)[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc(C(C)(C)C)ccc1=O CC(C)(C)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc(ccc1=O)[*:1]
COc1cc([C@H](C)NS(=O)(=O)CC2CCC2)ccc1F C1CC(C1)C[*:1] COc1cc(ccc1F)[C@H](C)NS(=O)(=O)[*:1]
COc1cc([C@H](C)NS(=O)(=O)CC2CCC2)ccc1F C1CC(C1)[*:1] COc1cc(ccc1F)[C@H](C)NS(=O)(=O)C[*:1]
Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCC(=O)NCc3ccco3)c12 O=C(C[*:1])NCc1ccco1 Cc1noc2nc(cc(C(=O)N[*:1])c12)-c1ccccc1F
Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCC(=O)NCc3ccco3)c12 O=C(NCc1ccco1)[*:1] Cc1noc2nc(cc(C(=O)NC[*:1])c12)-c1ccccc1F
Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCC(=O)NCc3ccco3)c12 c1coc(c1)[*:1] Cc1noc2nc(cc(C(=O)NCC(=O)NC[*:1])c12)-c1ccccc1F
Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCC(=O)NCc3ccco3)c12 c1coc(c1)C[*:1] Cc1noc2nc(cc(C(=O)NCC(=O)N[*:1])c12)-c1ccccc1F
Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCC(=O)NCc3ccco3)c12 Fc1ccccc1[*:1] Cc1noc2nc(cc(C(=O)NCC(=O)NCc3ccco3)c12)[*:1]
COc1ccc2c(c1)[nH]c1c([O-])nc(NC(=O)c3ccccc3)nc12 c1ccc(cc1)[*:1] COc1ccc2c(c1)[nH]c1c([O-])nc(nc12)NC(=O)[*:1]
COc1ccc(/N=C2/S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1ccc(F)cc1
COc1ccc(/N=C2/S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)/N=C1/S[C@@H](CC(=O)N1C)C(=O)N[*:1]
Cc1sc(-c2ccco2)nc1C(=O)OC[C@@H]1COc2ccccc2O1 c1coc(c1)[*:1] Cc1sc(nc1C(=O)OC[C@@H]1COc2ccccc2O1)[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 CCc1ccccc1[*:1] C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCN(CC1)CC(=O)N[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 Brc1ccc(cc1)S[*:1] CCc1ccccc1NC(=O)CN1CCN(CC1)C(=O)[C@@H](C)[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H](C)Sc2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)CN1CCN(CC1)C(=O)[C@@H](C)S[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)c1cc(-c2cccnc2)nc2ccccc12 Clc1ccc(cc1)C[*:1] CN(C(=O)c1cc(nc2ccccc12)-c1cccnc1)[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)c1cc(-c2cccnc2)nc2ccccc12 c1cncc(c1)[*:1] CN(Cc1ccc(Cl)cc1)C(=O)c1cc(nc2ccccc12)[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)c1cc(-c2cccnc2)nc2ccccc12 Clc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cc(nc2ccccc12)-c1cccnc1
CCCSc1ccc2c(c1)=[NH+][C@@H](NC(=O)CSc1nc(C)cc(C)n1)[NH+]=2 Cc1cc(C)nc(n1)[*:1] CCCSc1ccc2=[NH+][C@H](NC(=O)CS[*:1])[NH+]=c2c1
CCCSc1ccc2c(c1)=[NH+][C@@H](NC(=O)CSc1nc(C)cc(C)n1)[NH+]=2 CCC[*:1] Cc1cc(C)nc(n1)SCC(=O)N[C@H]1[NH+]=c2ccc(cc2=[NH+]1)S[*:1]
CCCSc1ccc2c(c1)=[NH+][C@@H](NC(=O)CSc1nc(C)cc(C)n1)[NH+]=2 CCCS[*:1] Cc1cc(C)nc(n1)SCC(=O)N[C@H]1[NH+]=c2ccc(cc2=[NH+]1)[*:1]
CCn1c(SCc2cc(Br)ccc2F)nc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CCn1c(nc2cc(ccc21)[*:1])SCc1cc(Br)ccc1F
CCn1c(SCc2cc(Br)ccc2F)nc2cc(S(N)(=O)=O)ccc21 Fc1ccc(Br)cc1[*:1] CCn1c(nc2cc(ccc21)S(N)(=O)=O)SC[*:1]
C/C(=C/C(=O)NNC(=O)CC(C)(C)C)c1ccc(F)cc1F CC(C)(C)C[*:1] C/C(=C/C(=O)NNC(=O)[*:1])c1ccc(F)cc1F
C/C(=C/C(=O)NNC(=O)CC(C)(C)C)c1ccc(F)cc1F CC(C)(C)[*:1] C/C(=C/C(=O)NNC(=O)C[*:1])c1ccc(F)cc1F
COc1ccc(Br)cc1CNc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] COc1ccc(Br)cc1CNc1cnn(c1)[*:1]
CCOc1ccccc1NC(=O)C(=O)NCCC1=c2ccccc2=[NH+]C1 CCO[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)C(=O)Nc1ccccc1[*:1]
Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)[C@@H](c1nnnn1[*:1])N1CC[NH+](CC1)C1CCCC1
Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](C3CCCC3)CC2)cc1 Cc1ccc(cc1)[*:1] C1CCC(C1)n1nnnc1[C@@H](N1CC[NH+](CC1)C1CCCC1)[*:1]
COC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@H]1c1ccncc1 Clc1ccccc1CS[*:1] COC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1ccncc1)[*:1]
COC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@H]1c1ccncc1 c1cc(ccn1)[*:1] COC(=O)C1=C(C)Nc2nc(nn2[C@@H]1[*:1])SCc1ccccc1Cl
COC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@H]1c1ccncc1 COC(=O)[*:1] CC1Nc2nc(nn2[C@H](C=1[*:1])c1ccncc1)SCc1ccccc1Cl
COC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@H]1c1ccncc1 Clc1ccccc1[*:1] COC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1ccncc1)SC[*:1]
COC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@H]1c1ccncc1 Clc1ccccc1C[*:1] COC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1ccncc1)S[*:1]
Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3SC(F)F)n2)cc1F FC(F)S[*:1] Cc1ccc(cc1F)-c1noc(CCC(=O)Nc2ccccc2[*:1])n1
Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3SC(F)F)n2)cc1F FC(F)[*:1] Cc1ccc(cc1F)-c1noc(CCC(=O)Nc2ccccc2S[*:1])n1
Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3SC(F)F)n2)cc1F Cc1ccc(cc1F)[*:1] O=C(CCc1nc(no1)[*:1])Nc1ccccc1SC(F)F
CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1 c1ccc(cc1)[*:1] CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(n1)N1CCOCC1)[*:1]
CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1 CCc1noc(C)c1[*:1] O=C(N[C@H](Cc1cc(=O)[nH]c(n1)N1CCOCC1)c1ccccc1)[*:1]
CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1 C1CN(CCO1)[*:1] CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(n1)[*:1])c1ccccc1
CNC(=O)[C@@H]1OC(C)(C(C)(C)C)O[C@H]1C(=O)NC CNC(=O)[*:1] CNC(=O)[C@@H]1OC(C)(O[C@H]1[*:1])C(C)(C)C
CNC(=O)[C@@H]1OC(C)(C(C)(C)C)O[C@H]1C(=O)NC CC(C)(C)[*:1] CNC(=O)[C@@H]1OC(C)(O[C@H]1C(=O)NC)[*:1]
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(cc2)S(=O)(=O)N[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)cc1
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(C)c1 O=S(=O)(Nc1ccc(F)cc1)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(cc2)[*:1])c(C)c1
O=S(=O)(/N=C(\[O-])CCCOc1ccc(F)cc1F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])CCCOc1ccc(F)cc1F)[*:1]
O=S(=O)(/N=C(\[O-])CCCOc1ccc(F)cc1F)c1ccc(F)cc1 Fc1ccc(c(F)c1)[*:1] O=S(=O)(/N=C(\[O-])CCCO[*:1])c1ccc(F)cc1
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(-c3ncc[nH]3)cc2)o1 c1c[nH]c(n1)[*:1] C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])o1
Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 CN(C)C(=O)CC[*:1] Cc1nc(cc(n1)[*:1])[C@H]1CCCN1Cc1[nH]cc[nH+]1
Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 CN(C)C(=O)[*:1] Cc1nc(cc(n1)[C@H]1CCCN1Cc1[nH]cc[nH+]1)CC[*:1]
Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 CN(C)C(=O)C[*:1] Cc1nc(cc(n1)[C@H]1CCCN1Cc1[nH]cc[nH+]1)C[*:1]
COCCNC(=O)c1cc2c(C)nc3ccccc3c2o1 COCCNC(=O)[*:1] Cc1nc2ccccc2c2oc(cc12)[*:1]
COCCNC(=O)c1cc2c(C)nc3ccccc3c2o1 COCC[*:1] Cc1nc2ccccc2c2oc(cc12)C(=O)N[*:1]
COCCNC(=O)c1cc2c(C)nc3ccccc3c2o1 COC[*:1] Cc1nc2ccccc2c2oc(cc12)C(=O)NC[*:1]
CC(C)Oc1ccccc1C(=O)Nc1ccnc2[nH]ncc12 CC(C)O[*:1] O=C(Nc1ccnc2[nH]ncc12)c1ccccc1[*:1]
CC(C)Oc1ccccc1C(=O)Nc1ccnc2[nH]ncc12 CC(C)[*:1] O=C(Nc1ccnc2[nH]ncc12)c1ccccc1O[*:1]
COc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C(/N=C1\c2ccccc2CN1[*:1])c1ccc(F)cc1
COc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)N1Cc2ccccc2/C1=N\C(=O)[*:1]
C[NH+](CC(=O)Nc1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] C[NH+](CC(=O)Nc1ccccc1F)[*:1]
Cc1cnc(CNC(=O)N2CCC(CN3CCOCC3)CC2)s1 Cc1cnc(s1)[*:1] O=C(NC[*:1])N1CCC(CC1)CN1CCOCC1
Cc1cnc(CNC(=O)N2CCC(CN3CCOCC3)CC2)s1 C1CN(CCO1)C[*:1] Cc1cnc(CNC(=O)N2CCC(CC2)[*:1])s1
Cc1cnc(CNC(=O)N2CCC(CN3CCOCC3)CC2)s1 C1CN(CCO1)[*:1] Cc1cnc(CNC(=O)N2CCC(CC2)C[*:1])s1
Cc1cnc(CNC(=O)N2CCC(CN3CCOCC3)CC2)s1 Cc1cnc(C[*:1])s1 O=C(N[*:1])N1CCC(CC1)CN1CCOCC1
O=C(NC1CC1)c1ccc(CN(C(=O)c2cc(Br)ccc2Cl)C2CC2)cc1 C1CC1[*:1] O=C(NC1CC1)c1ccc(cc1)CN(C(=O)c1cc(Br)ccc1Cl)[*:1]
O=C(NC1CC1)c1ccc(CN(C(=O)c2cc(Br)ccc2Cl)C2CC2)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(cc1)CN(C(=O)c1cc(Br)ccc1Cl)C1CC1
O=C(NC1CC1)c1ccc(CN(C(=O)c2cc(Br)ccc2Cl)C2CC2)cc1 O=C(NC1CC1)[*:1] O=C(c1cc(Br)ccc1Cl)N(Cc1ccc(cc1)[*:1])C1CC1
O=C(NC1CC1)c1ccc(CN(C(=O)c2cc(Br)ccc2Cl)C2CC2)cc1 Clc1ccc(Br)cc1[*:1] O=C(NC1CC1)c1ccc(cc1)CN(C(=O)[*:1])C1CC1
Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C1N[C@H]2CCCC[C@@H]2N(C(=O)c2ccc(F)cc2)[C@@H]1C[*:1]
Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)[*:1]
Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1)N[*:1]
COCCOCC(=O)N[C@H]1CC[C@@H](SC)C1 COCC[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)CO[*:1]
COCCOCC(=O)N[C@H]1CC[C@@H](SC)C1 COC[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)COC[*:1]
COCCOCC(=O)N[C@H]1CC[C@@H](SC)C1 COCCO[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)C[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2cccs2)on1 c1csc(c1)[*:1] O=C(Nc1ccc2OCCOc2c1)c1cc(on1)[*:1]
O=C([O-])CCCCC(=O)N1CCC(CO)CC1 O=C([O-])[*:1] O=C(CCCC[*:1])N1CCC(CO)CC1
O=C([O-])CCCCC(=O)N1CCC(CO)CC1 O=C([O-])C[*:1] O=C(CCC[*:1])N1CCC(CO)CC1
O=C([O-])CCCCC(=O)N1CCC(CO)CC1 O=C([O-])CC[*:1] O=C(CC[*:1])N1CCC(CO)CC1
Cc1nc(CN2CCN(c3ncnc4sc(C)cc34)CC2)no1 Cc1nc(no1)[*:1] Cc1cc2c(ncnc2s1)N1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(c3ncnc4sc(C)cc34)CC2)no1 Cc1nc(C[*:1])no1 Cc1cc2c(ncnc2s1)N1CCN(CC1)[*:1]
O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(Oc2ccccc2)cc1 O=C1CCCN1[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])Nc1ccc(cc1)Oc1ccccc1
O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(CNC(=O)c1ccc(cc1)N1CCCC1=O)Nc1ccc(cc1)[*:1]
O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(cc1)N1CCCC1=O)Nc1ccc(cc1)O[*:1]
Cc1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(F)cc4)cc3C2=O)c1C O=C(C[*:1])Nc1ccc(F)cc1 Cc1cccc(c1C)N1C(=O)c2ccc(cc2C1=O)C(=O)O[*:1]
Cc1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(F)cc4)cc3C2=O)c1C Fc1ccc(cc1)[*:1] Cc1cccc(c1C)N1C(=O)c2ccc(cc2C1=O)C(=O)OCC(=O)N[*:1]
Cc1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(F)cc4)cc3C2=O)c1C Cc1cccc(c1C)[*:1] O=C(COC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])Nc1ccc(F)cc1
Cc1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(F)cc4)cc3C2=O)c1C O=C(Nc1ccc(F)cc1)[*:1] Cc1cccc(c1C)N1C(=O)c2ccc(cc2C1=O)C(=O)OC[*:1]
CCOC(=O)c1noc(C)c1C(=O)[O-] O=C([O-])[*:1] CCOC(=O)c1noc(C)c1[*:1]
CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 CCC[*:1] Cc1cc2nc(C(=O)O[*:1])c(nc2cc1C)N1CCN(CC1)Cc1ccc2OCOc2c1
CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 CCCOC(=O)[*:1] Cc1cc2nc(c(nc2cc1C)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(CC1)[*:1]
CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(CC1)C[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1C c1cc2OCOc2cc1C[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(C)(CC1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1C c1cc2OCOc2cc1[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(C)(CC1)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1C Cc1ccc(cc1C)[*:1] CC1(CCN(CC1)S(=O)(=O)[*:1])C(=O)NCc1ccc2OCOc2c1
O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1cccc2ccccc12)C[C@H]1CCCO1 c1ccc2c(cccc2c1)[*:1] O=C(c1cc(=O)c2cc(F)ccc2o1)N(C[C@H]1CCCO1)C[*:1]
CCOc1ccccc1C[NH2+]C1CCN(CC(=O)NC)CC1 CCO[*:1] CNC(=O)CN1CCC(CC1)[NH2+]Cc1ccccc1[*:1]
CCOc1ccccc1C[NH2+]C1CCN(CC(=O)NC)CC1 CNC(=O)[*:1] CCOc1ccccc1C[NH2+]C1CCN(CC1)C[*:1]
CCOc1ccccc1C[NH2+]C1CCN(CC(=O)NC)CC1 CNC(=O)C[*:1] CCOc1ccccc1C[NH2+]C1CCN(CC1)[*:1]
COc1ccc(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CCCCC3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(C1=CCCCC1)N1CCC[C@@H]2CN(CC[C@@H]21)C(=O)[*:1]
COc1ccc(CC(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CCCCC3)C2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])N1CC[C@H]2[C@H](CCCN2C(=O)C2=CCCCC2)C1
O=C1CCCN1Cc1ccc(CNc2ncnc3ccc(F)cc23)cc1 O=C1CCCN1[*:1] Fc1ccc2ncnc(NCc3ccc(cc3)C[*:1])c2c1
O=C1CCCN1Cc1ccc(CNc2ncnc3ccc(F)cc23)cc1 O=C1CCCN1C[*:1] Fc1ccc2ncnc(NCc3ccc(cc3)[*:1])c2c1
CC1=NN(c2ccc(C(=O)Nc3cccnc3-n3cccn3)cc2)CC1 c1cnn(c1)[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)Nc1cccnc1[*:1]
COCCOc1ccc(F)cc1NC(=O)[C@@H]1CCO[C@H]1C COCC[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1cc(F)ccc1O[*:1]
COCCOc1ccc(F)cc1NC(=O)[C@@H]1CCO[C@H]1C COCCO[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1cc(F)ccc1[*:1]
COCCOc1ccc(F)cc1NC(=O)[C@@H]1CCO[C@H]1C COC[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1cc(F)ccc1OC[*:1]
Cc1ccc2nc(NC(=O)CSc3nnc(Cc4cccs4)n3C3CC3)sc2c1 c1csc(c1)[*:1] Cc1ccc2nc(NC(=O)CSc3nnc(C[*:1])n3C3CC3)sc2c1
Cc1ccc2nc(NC(=O)CSc3nnc(Cc4cccs4)n3C3CC3)sc2c1 c1csc(c1)C[*:1] Cc1ccc2nc(NC(=O)CSc3nnc(n3C3CC3)[*:1])sc2c1
Cc1ccc2nc(NC(=O)CSc3nnc(Cc4cccs4)n3C3CC3)sc2c1 C1CC1[*:1] Cc1ccc2nc(NC(=O)CSc3nnc(Cc4cccs4)n3[*:1])sc2c1
O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)c1 C1CN(CCO1)[*:1] O=[N+]([O-])c1cccc(c1)C[NH2+]C[C@@H]([C@H]1CCOC1)[*:1]
O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)c1 C1C[C@@H](CO1)[*:1] O=[N+]([O-])c1cccc(c1)C[NH2+]C[C@@H](N1CCOCC1)[*:1]
O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])C[NH2+]C[C@@H]([C@H]1CCOC1)N1CCOCC1
O=C(Nc1cccc(C(=O)N2Cc3nc(-c4ccccc4)sc3C2)c1)c1ccsc1 c1cc(cs1)[*:1] O=C(c1cccc(c1)NC(=O)[*:1])N1Cc2nc(sc2C1)-c1ccccc1
O=C(Nc1cccc(C(=O)N2Cc3nc(-c4ccccc4)sc3C2)c1)c1ccsc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C(=O)N1Cc2nc(sc2C1)[*:1])c1ccsc1
O=C(Nc1cccc(C(=O)N2Cc3nc(-c4ccccc4)sc3C2)c1)c1ccsc1 O=C(N[*:1])c1ccsc1 O=C(c1cccc(c1)[*:1])N1Cc2nc(sc2C1)-c1ccccc1
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)[*:1]
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)[C@H]1CCCO1 C1CCC(CC1)[*:1] CC[C@@H](C[*:1])C(=O)NNC(=O)[C@H]1CCCO1
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)[C@H]1CCCO1 C1CCC(CC1)C[*:1] CC[C@@H](C(=O)NNC(=O)[C@H]1CCCO1)[*:1]
CC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ccc2c(c1)nc(C)n2C
C[n+]1c(N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc21 c1ccc(cc1)[*:1] C[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)S(=O)(=O)[*:1]
CN1CCC[NH+](Cc2cccc(OC3CCN(C(=O)c4ccoc4)CC3)c2)CC1 c1cc(co1)[*:1] CN1CCC[NH+](CC1)Cc1cccc(c1)OC1CCN(CC1)C(=O)[*:1]
CON(C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 CON(C)C(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCc2ccccc21
C[C@@H]1CCC[C@H](NC(=O)C(=O)NCC[NH3+])C1 [NH3+]CC[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)N[*:1]
Cc1cc(C)cc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1 Cc1cc(C)cc(c1)[*:1] O=C(Cn1nnc(n1)-c1ccc(F)cc1)N[*:1]
Cc1cc(C)cc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)Cn1nnc(n1)[*:1]
C[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1Sc1ccccc1 c1ccc(cc1)[*:1] C[NH2+][C@H]1c2cc(ccc2C[C@@H]1S[*:1])OC
CCN[C@@]1(C#N)CCC[C@H](SCc2ccccc2C)C1 CCN[*:1] Cc1ccccc1CS[C@H]1CCC[C@](C#N)(C1)[*:1]
C[C@@H](O)C(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 C[C@@H](O)C(=O)N[*:1] C[C@H](c1ccc(s1)-c1ccc(Cl)cc1)[*:1]
C[C@@H](O)C(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 C[C@@H](O)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(s1)-c1ccc(Cl)cc1
C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1cc(F)ccc1F Cn1cnc(c1Cl)[*:1] C[C@H](NS(=O)(=O)[*:1])c1cc(F)ccc1F
COc1cccc(NC(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)NC(=O)N1CCC(CC1)NC(=O)[*:1]
COc1cccc(NC(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)c1 COc1cccc(c1)[*:1] O=C(NC1CCN(CC1)C(=O)N[*:1])c1cccc(F)c1
Cc1cc2c(c(=O)n1CC[NH+](C)C)[C@@]1(C(=O)N(CC(C)C)c3ccccc31)C(C#N)=C(N)O2 CC(C)C[*:1] Cc1cc2OC(N)=C(C#N)[C@]3(C(=O)N(c4ccccc43)[*:1])c2c(=O)n1CC[NH+](C)C
Cc1cc2c(c(=O)n1CC[NH+](C)C)[C@@]1(C(=O)N(CC(C)C)c3ccccc31)C(C#N)=C(N)O2 CC(C)[*:1] Cc1cc2OC(N)=C(C#N)[C@]3(C(=O)N(C[*:1])c4ccccc43)c2c(=O)n1CC[NH+](C)C
O=C(c1ccon1)N1CCC(c2ccc(F)cc2)CC1 c1cc(no1)[*:1] O=C(N1CCC(CC1)c1ccc(F)cc1)[*:1]
C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCn2c(nn(C)c2=O)C1 Fc1ccc(c(Cl)c1)[*:1] C[C@@H](C(=O)N[*:1])N1CCn2c(C1)nn(C)c2=O
CCCn1cc(NC(=O)COCC2CC2)cn1 C1CC1CO[*:1] CCCn1cc(cn1)NC(=O)C[*:1]
CCCn1cc(NC(=O)COCC2CC2)cn1 C1CC1[*:1] CCCn1cc(cn1)NC(=O)COC[*:1]
CCCn1cc(NC(=O)COCC2CC2)cn1 C1CC1C[*:1] CCCn1cc(cn1)NC(=O)CO[*:1]
CCCn1cc(NC(=O)COCC2CC2)cn1 CCC[*:1] O=C(COCC1CC1)Nc1cnn(c1)[*:1]
CN(C)/N=C\c1ccc(OC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CN(C)/N=C\c1ccc(cc1)OC(=O)[*:1]
CN(C)/N=C\c1ccc(OC(=O)c2ccccc2Cl)cc1 CN(C)N=C[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccccc1Cl
CCc1cccc(OCC(=O)NNC(=O)c2ccccc2OC)c1 COc1ccccc1[*:1] CCc1cccc(c1)OCC(=O)NNC(=O)[*:1]
CCc1cccc(OCC(=O)NNC(=O)c2ccccc2OC)c1 CCc1cccc(c1)[*:1] COc1ccccc1C(=O)NNC(=O)CO[*:1]
CSCC[C@@H]1NC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O CSC[*:1] O=C1[C@H](C[*:1])NC(=S)N1c1cccc(c1)[N+](=O)[O-]
CSCC[C@@H]1NC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O CSCC[*:1] O=C1[C@@H](NC(=S)N1c1cccc(c1)[N+](=O)[O-])[*:1]
CSCC[C@@H]1NC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] CSCC[C@@H]1NC(=S)N(C1=O)c1cccc(c1)[*:1]
Cc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1 N#CCCCO[*:1] Cc1ccc(cc1)C(=O)Nc1ncccc1[*:1]
Cc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1 N#CCCC[*:1] Cc1ccc(cc1)C(=O)Nc1ncccc1O[*:1]
Cc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1 Cc1ccc(cc1)[*:1] N#CCCCOc1cccnc1NC(=O)[*:1]
Cc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1 N#CCC[*:1] Cc1ccc(cc1)C(=O)Nc1ncccc1OC[*:1]
Cc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1 N#CC[*:1] Cc1ccc(cc1)C(=O)Nc1ncccc1OCC[*:1]
O=[N+]([O-])c1ccc(NCCSc2ncc(C(F)(F)F)cc2Cl)nc1 O=[N+]([O-])[*:1] FC(F)(F)c1cnc(SCCNc2ccc(cn2)[*:1])c(Cl)c1
O=[N+]([O-])c1ccc(NCCSc2ncc(C(F)(F)F)cc2Cl)nc1 FC(F)(F)[*:1] O=[N+]([O-])c1ccc(nc1)NCCSc1ncc(cc1Cl)[*:1]
Cc1ccc(Br)c(NCc2cnc3c(cnn3C(C)C)c2)c1 CC(C)[*:1] Cc1ccc(Br)c(c1)NCc1cnc2c(cnn2[*:1])c1
Cc1cc(C)n(-c2cc(Cl)ccc2-c2cncnc2)n1 c1ncc(cn1)[*:1] Cc1cc(C)n(n1)-c1cc(Cl)ccc1[*:1]
O=C(COc1ccc([N+](=O)[O-])cc1Br)NCC1CC1 O=[N+]([O-])[*:1] O=C(COc1ccc(cc1Br)[*:1])NCC1CC1
O=C(COc1ccc([N+](=O)[O-])cc1Br)NCC1CC1 C1CC1[*:1] O=C(COc1ccc(cc1Br)[N+](=O)[O-])NC[*:1]
O=C(COc1ccc([N+](=O)[O-])cc1Br)NCC1CC1 C1CC1C[*:1] O=C(COc1ccc(cc1Br)[N+](=O)[O-])N[*:1]
COc1ccc([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)COC4)C2)cc1 c1cc2COCc2cc1[*:1] COc1ccc(cc1)[C@@H]1CCN(C1)C(=O)C(=O)N[*:1]
COc1ccc([C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)COC4)C2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2COCc2c1)C(=O)N1CC[C@H](C1)[*:1]
C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)CCc1ccccn1 c1ccc(CC[*:1])nc1 C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)[*:1]
C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)CCc1ccccn1 Oc1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)N(C)CCc1ccccn1
C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)CCc1ccccn1 Oc1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)N(C)CCc1ccccn1
C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)CCc1ccccn1 c1ccc(C[*:1])nc1 C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)C[*:1]
C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)CCc1ccccn1 c1ccc(nc1)[*:1] C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)CC[*:1]
Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@@H](CO)c1ccc(Cl)c(F)c1 CC(C)(C)[*:1] Cc1nc(sc1[C@@H](C)N[C@@H](CO)c1ccc(Cl)c(F)c1)[*:1]
Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@@H](CO)c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] Cc1nc(sc1[C@@H](C)N[C@@H](CO)[*:1])C(C)(C)C
COCCNC(=O)[C@H](C)S(=O)(=O)c1cccc(C)c1 COCC[*:1] Cc1cccc(c1)S(=O)(=O)[C@@H](C)C(=O)N[*:1]
COCCNC(=O)[C@H](C)S(=O)(=O)c1cccc(C)c1 COC[*:1] Cc1cccc(c1)S(=O)(=O)[C@@H](C)C(=O)NC[*:1]
COC(=O)c1cccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)c1 COC(=O)[*:1] O=C1COc2ccc(cc2N1)C(=O)Nc1cccc(c1)[*:1]
O=C(CCC(=O)c1ccc(Br)cc1)NCCc1cccs1 Brc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])NCCc1cccs1
O=C(CCC(=O)c1ccc(Br)cc1)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(CCC(=O)c1ccc(Br)cc1)N[*:1]
O=C(CCC(=O)c1ccc(Br)cc1)NCCc1cccs1 c1csc(c1)[*:1] O=C(CCC(=O)c1ccc(Br)cc1)NCC[*:1]
O=C(CCC(=O)c1ccc(Br)cc1)NCCc1cccs1 c1csc(c1)C[*:1] O=C(CCC(=O)c1ccc(Br)cc1)NC[*:1]
Cc1occc1-c1nnc(S[C@H](C)c2ccccc2)n1-c1ccccc1 C[C@H](c1ccccc1)[*:1] Cc1occc1-c1nnc(S[*:1])n1-c1ccccc1
Cc1occc1-c1nnc(S[C@H](C)c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1occc1-c1nnc(S[C@H](C)[*:1])n1-c1ccccc1
Cc1occc1-c1nnc(S[C@H](C)c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1occc1-c1nnc(S[C@H](C)c2ccccc2)n1[*:1]
Cc1occc1-c1nnc(S[C@H](C)c2ccccc2)n1-c1ccccc1 Cc1occc1[*:1] C[C@@H](Sc1nnc(n1-c1ccccc1)[*:1])c1ccccc1
Cc1csc(CCNS(=O)(=O)c2cccc(C#N)c2)n1 Cc1csc(n1)[*:1] N#Cc1cccc(c1)S(=O)(=O)NCC[*:1]
CCOc1ccc2nc(NC(=O)[C@H](C)n3nc(-c4ccc(C)cc4)ccc3=O)sc2c1 CCO[*:1] Cc1ccc(cc1)-c1ccc(=O)n(n1)[C@@H](C)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(NC(=O)[C@H](C)n3nc(-c4ccc(C)cc4)ccc3=O)sc2c1 Cc1ccc(cc1)[*:1] CCOc1ccc2nc(NC(=O)[C@H](C)n3nc(ccc3=O)[*:1])sc2c1
CN1CCO[C@H](CNC(=O)N[C@H]2COC[C@@]2(C)C(=O)[O-])C1 CN1CCO[C@H](C1)[*:1] C[C@]1(COC[C@@H]1NC(=O)NC[*:1])C(=O)[O-]
CN1CCO[C@H](CNC(=O)N[C@H]2COC[C@@]2(C)C(=O)[O-])C1 O=C([O-])[*:1] CN1CCO[C@H](CNC(=O)N[C@H]2COC[C@]2(C)[*:1])C1
Cn1cc(CCC[NH+](C)Cc2ccc(Br)cc2)cn1 Cn1cc(cn1)[*:1] C[NH+](CCC[*:1])Cc1ccc(Br)cc1
CCOc1ccccc1NC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccc(C)cc3C)c(=O)n21 Cc1ccc(c(C)c1)[*:1] CCOc1ccccc1NC(=O)C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
CCOc1ccccc1NC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccc(C)cc3C)c(=O)n21 CCO[*:1] Cc1ccc(c(C)c1)-n1ncc2c(=O)n3c(nc21)SC[C@H]3CC(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccc(C)cc3C)c(=O)n21 CCOc1ccccc1[*:1] Cc1ccc(c(C)c1)-n1ncc2c(=O)n3c(nc21)SC[C@H]3CC(=O)N[*:1]
COc1cccc(C(=O)N[C@@H](C)C(=O)OC2CCCC2)c1F C1CCC(C1)[*:1] COc1cccc(C(=O)N[C@@H](C)C(=O)O[*:1])c1F
Cc1ccc2c(c1)c(CNC(=O)c1occc1C)nn2C Cc1ccoc1[*:1] Cc1ccc2c(c1)c(CNC(=O)[*:1])nn2C
COc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] c1cnn(c1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)NCCc1ccc(cc1)[*:1]
COc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)NCCc1ccc(cc1)-n1cccn1
CCc1nn(C)c(OC)c1C[NH2+]Cc1ncc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CCc1nn(C)c(OC)c1C[NH2+]Cc1ncc(s1)[*:1]
CCN(CC)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 CC(C)[*:1] CCN(CC)C(=O)Nc1ccc(C(=O)NC[*:1])c(Cl)c1
CCN(CC)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 CC(C)C[*:1] CCN(CC)C(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
CCN(CC)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 CC(C)CNC(=O)[*:1] CCN(CC)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CN(C(=O)c1cc(-c2ccccc2F)on1)c1cccc2ncccc12 Fc1ccccc1[*:1] CN(C(=O)c1cc(on1)[*:1])c1cccc2ncccc12
O=S(=O)(NCc1ccon1)c1sccc1Br c1cc(no1)[*:1] O=S(=O)(NC[*:1])c1sccc1Br
Cc1ccccc1C(=O)Nc1cc(-c2ccccc2C)nn1C Cc1ccccc1[*:1] Cc1ccccc1C(=O)Nc1cc(nn1C)[*:1]
Cc1ccccc1C(=O)Nc1cc(-c2ccccc2C)nn1C Cc1ccccc1[*:1] Cc1ccccc1-c1cc(NC(=O)[*:1])n(C)n1
COCCNC(=O)[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(C)s2)c1 COCC[*:1] Cc1ccc(s1)C(=O)Nc1cccc(c1)C(=O)N1CCC[C@@H]1C(=O)N[*:1]
COCCNC(=O)[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(C)s2)c1 Cc1ccc(s1)C(=O)N[*:1] COCCNC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)[*:1]
COCCNC(=O)[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(C)s2)c1 Cc1ccc(s1)[*:1] COCCNC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)NC(=O)[*:1]
COCCNC(=O)[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(C)s2)c1 COC[*:1] Cc1ccc(s1)C(=O)Nc1cccc(c1)C(=O)N1CCC[C@@H]1C(=O)NC[*:1]
COCCNC(=O)[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(C)s2)c1 COCCNC(=O)[*:1] Cc1ccc(s1)C(=O)Nc1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
Cc1oc(C(=O)N[C@@H](C)c2ccccc2F)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] Cc1oc(cc1[*:1])C(=O)N[C@@H](C)c1ccccc1F
Cc1oc(C(=O)N[C@@H](C)c2ccccc2F)cc1S(=O)(=O)N1CCCC1 Fc1ccccc1[*:1] Cc1oc(cc1S(=O)(=O)N1CCCC1)C(=O)N[C@@H](C)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)c3ccccc32)C1 CCOC(=O)[*:1] CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](C2)[*:1])c2ccccc21
C[C@H](C(=O)Nc1ccccc1F)N1C(=O)c2ccccc2S1(=O)=O Fc1ccccc1[*:1] C[C@H](C(=O)N[*:1])N1C(=O)c2ccccc2S1(=O)=O
CC(C)n1nccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)n1nccc1NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CC(C)n1nccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 CC(C)n1nccc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1
CC(C)n1nccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 CC(C)[*:1] O=C(Nc1ccnn1[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1
CCC(CC)c1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)on1 C1CN(CCO1)[*:1] CCC(CC)c1cc(on1)C(=O)N1C[C@H](C)[C@H](C1)[*:1]
CCC(CC)c1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)on1 CCC(CC)[*:1] C[C@H]1CN(C[C@H]1N1CCOCC1)C(=O)c1cc(no1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc1 c1cncc(c1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(c1cccnc1)N1CCCc2cc(ccc21)NS(=O)(=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc1 CC(=O)N[*:1] O=C(c1cccnc1)N1CCCc2cc(ccc21)NS(=O)(=O)c1ccc(cc1)[*:1]
C=C(C)C[NH+](CC)Cc1ccc(Cl)c([N+](=O)[O-])c1 C=C(C)[*:1] CC[NH+](Cc1ccc(Cl)c(c1)[N+](=O)[O-])C[*:1]
C=C(C)C[NH+](CC)Cc1ccc(Cl)c([N+](=O)[O-])c1 C=C(C)C[*:1] CC[NH+](Cc1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
C=C(C)C[NH+](CC)Cc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C=C(C)C[NH+](CC)Cc1ccc(Cl)c(c1)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)C(C)C)c1 CC(C)[*:1] COc1ccc(cc1NC(=O)c1cccc(c1)NC(=O)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)C(C)C)c1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1cccc(c1)NC(=O)C(C)C)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)C(C)C)c1 CC(C)C(=O)N[*:1] COc1ccc(cc1NC(=O)c1cccc(c1)[*:1])[N+](=O)[O-]
CCC[C@]1(Cc2ccc(F)c(Br)c2)CCC[NH2+]1 CCC[*:1] Fc1ccc(cc1Br)C[C@@]1(CCC[NH2+]1)[*:1]
CC(=O)c1cccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)c1 CC(=O)[*:1] O=Cc1cn(CC(=O)Nc2cccc(c2)[*:1])c2ccc(Br)cc12
O=C(c1cc2ccccc2oc1=O)N(CC[NH+]1CCOCC1)c1nc2c(F)cccc2s1 Fc1cccc2sc(nc12)[*:1] O=C(c1cc2ccccc2oc1=O)N(CC[NH+]1CCOCC1)[*:1]
CCNC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O CCNC(=O)N[*:1] O=C1[C@@H](CCCN1c1ccccc1Cl)[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)N[C@H]3C[C@@H]3C)CC2)no1 Cc1cc(no1)[*:1] C[C@H]1C[C@@H]1NC(=O)N1CCN(CC1)CC(=O)N[*:1]
COc1ccc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1OC N#Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)CNC(=O)[C@H](C)O[*:1]
C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)[*:1]
C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)C[*:1]
C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)C[C@H]1CCCO1 CC(C)(C)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)C[C@H]1CCCO1
CC(C)(C)OC(=O)[C@H](C1CCCCC1)[C@H]([NH3+])C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)[C@H](C1CCCCC1)[C@H]([NH3+])[*:1]
CC(C)(C)OC(=O)[C@H](C1CCCCC1)[C@H]([NH3+])C(=O)[O-] C1CCC(CC1)[*:1] CC(C)(C)OC(=O)[C@H]([C@H]([NH3+])C(=O)[O-])[*:1]
CC(C)(C)OC(=O)[C@H](C1CCCCC1)[C@H]([NH3+])C(=O)[O-] CC(C)(C)[*:1] [NH3+][C@H](C(=O)[O-])[C@H](C(=O)O[*:1])C1CCCCC1
Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c(C)[nH]2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)[*:1])c(C)[nH]1
Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c(C)[nH]2)cc1 Cc1ccc(cc1)[*:1] Cc1[nH]c(cc1C(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
CC(C)(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)O[*:1])C(=O)N[C@H]1CCCC[C@H]1CO
CC(C)(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)cc1 CC(C)(C)O[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N[C@H]1CCCC[C@H]1CO
Fc1cccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 c1ccc(cc1)C[*:1] Fc1cccc(c1)C[NH2+]Cc1ccc(cc1)O[*:1]
Fc1cccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 Fc1cccc(c1)[*:1] c1ccc(cc1)COc1ccc(cc1)C[NH2+]C[*:1]
Fc1cccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 Fc1cccc(c1)C[*:1] c1ccc(cc1)COc1ccc(cc1)C[NH2+][*:1]
Fc1cccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 c1ccc(cc1)CO[*:1] Fc1cccc(c1)C[NH2+]Cc1ccc(cc1)[*:1]
Fc1cccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 c1ccc(cc1)[*:1] Fc1cccc(c1)C[NH2+]Cc1ccc(cc1)OC[*:1]
N#C/C(=C\c1ccc(COc2ccc3c(c2)CCC3)o1)C(N)=O N#CC(=C[*:1])C(N)=O c1cc2CCCc2cc1OCc1ccc(o1)[*:1]
N#C/C(=C\c1ccc(COc2ccc3c(c2)CCC3)o1)C(N)=O NC(=O)[*:1] N#CC(=Cc1ccc(COc2ccc3CCCc3c2)o1)[*:1]
C[NH2+]CCCC(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 C[NH2+]CCC[*:1] O=C([O-])[C@H]1CC[C@@H](CNC(=O)[*:1])O1
C[NH2+]CCCC(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 C[NH2+]CC[*:1] O=C(C[*:1])NC[C@@H]1CC[C@@H](O1)C(=O)[O-]
C[NH2+]CCCC(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] C[NH2+]CCCC(=O)NC[C@@H]1CC[C@H](O1)[*:1]
CCCSc1nc2n(n1)[C@@H](c1ccc(C(=O)[O-])cc1)C(C(=O)Nc1cccc(C)c1)=C(C)N2 O=C([O-])c1ccc(cc1)[*:1] CCCSc1nc2NC(C)=C(C(=O)Nc3cccc(C)c3)[C@H](n2n1)[*:1]
CCCSc1nc2n(n1)[C@@H](c1ccc(C(=O)[O-])cc1)C(C(=O)Nc1cccc(C)c1)=C(C)N2 Cc1cccc(c1)[*:1] CCCSc1nc2NC(C)=C(C(=O)N[*:1])[C@H](c3ccc(cc3)C(=O)[O-])n2n1
CCCSc1nc2n(n1)[C@@H](c1ccc(C(=O)[O-])cc1)C(C(=O)Nc1cccc(C)c1)=C(C)N2 CCCS[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccc(C)c1)c1ccc(cc1)C(=O)[O-])[*:1]
CCCSc1nc2n(n1)[C@@H](c1ccc(C(=O)[O-])cc1)C(C(=O)Nc1cccc(C)c1)=C(C)N2 O=C([O-])[*:1] CCCSc1nc2NC(C)=C(C(=O)Nc3cccc(C)c3)[C@H](c3ccc(cc3)[*:1])n2n1
CCCSc1nc2n(n1)[C@@H](c1ccc(C(=O)[O-])cc1)C(C(=O)Nc1cccc(C)c1)=C(C)N2 CCC[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccc(C)c1)c1ccc(cc1)C(=O)[O-])S[*:1]
CCCSc1nc2n(n1)[C@@H](c1ccc(C(=O)[O-])cc1)C(C(=O)Nc1cccc(C)c1)=C(C)N2 Cc1cccc(c1)NC(=O)[*:1] CCCSc1nc2NC(C)=C([C@H](c3ccc(cc3)C(=O)[O-])n2n1)[*:1]
CC(C)[C@@H](Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H](Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[*:1]
CC(C)[C@@H](Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] O=[N+]([O-])[*:1] CC(C)[C@@H](Nc1cc(Cl)c(Cl)cc1[*:1])C(=O)[O-]
CC(C)[C@@H](Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[*:1]
CN(Cc1ccc(Br)o1)C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CN(Cc1ccc(Br)o1)C(=O)c1ccnc(c1)O[*:1]
CN(Cc1ccc(Br)o1)C(=O)c1ccnc(OC(C)(C)C)c1 Brc1ccc(o1)[*:1] CN(C[*:1])C(=O)c1ccnc(c1)OC(C)(C)C
CN(Cc1ccc(Br)o1)C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CN(Cc1ccc(Br)o1)C(=O)c1ccnc(c1)[*:1]
CN(Cc1ccc(Br)o1)C(=O)c1ccnc(OC(C)(C)C)c1 Brc1ccc(C[*:1])o1 CN(C(=O)c1ccnc(c1)OC(C)(C)C)[*:1]
CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 C1CCC(C1)[*:1] CNC(=O)CSc1nnc(-c2ccc(cc2)C(C)(C)C)n1[*:1]
CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 CC(C)(C)[*:1] CNC(=O)CSc1nnc(-c2ccc(cc2)[*:1])n1C1CCCC1
CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 CNC(=O)C[*:1] CC(C)(C)c1ccc(cc1)-c1nnc(S[*:1])n1C1CCCC1
CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 CNC(=O)CS[*:1] CC(C)(C)c1ccc(cc1)-c1nnc(n1C1CCCC1)[*:1]
CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 CNC(=O)[*:1] CC(C)(C)c1ccc(cc1)-c1nnc(SC[*:1])n1C1CCCC1
CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H](N1CCOc3ccc(Cl)cc3C1)CC2 c1ccc(cc1)CC[*:1] CNC(=O)c1nn(c2CC[C@@H](Cc12)N1CCOc2ccc(Cl)cc2C1)[*:1]
CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H](N1CCOc3ccc(Cl)cc3C1)CC2 CNC(=O)[*:1] Clc1ccc2OCCN(Cc2c1)[C@H]1CCc2c(C1)c(nn2CCc1ccccc1)[*:1]
CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H](N1CCOc3ccc(Cl)cc3C1)CC2 c1ccc(cc1)[*:1] CNC(=O)c1nn(CC[*:1])c2CC[C@@H](Cc12)N1CCOc2ccc(Cl)cc2C1
CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H](N1CCOc3ccc(Cl)cc3C1)CC2 c1ccc(cc1)C[*:1] CNC(=O)c1nn(C[*:1])c2CC[C@@H](Cc12)N1CCOc2ccc(Cl)cc2C1
CCc1nn(C)c(Cl)c1CN1CCC(N2CCO[C@H](C)C2)CC1 C[C@@H]1CN(CCO1)[*:1] CCc1nn(C)c(Cl)c1CN1CCC(CC1)[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)CCC2=O)c1 O=C1CCC(=O)N1[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)NC(=O)C[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)CCC2=O)c1 O=C1CCC(=O)N1C[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)CCC2=O)c1 CN(C)S(=O)(=O)[*:1] O=C(CN1C(=O)CCC1=O)Nc1cc(ccc1Cl)[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 Fc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1ccc2c(=O)n3CCCCCCc3nc2c1)[*:1]
CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 CCC[*:1] O=C(N[*:1])[C@H]1COC2(CCN(CC2)C(=O)c2ccccc2F)N1C(=O)c1cccc(F)c1
CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCCNC(=O)[C@H]1COC2(CCN(CC2)C(=O)c2ccccc2F)N1C(=O)[*:1]
CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 Fc1ccccc1[*:1] CCCNC(=O)[C@H]1COC2(CCN(CC2)C(=O)[*:1])N1C(=O)c1cccc(F)c1
CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 CCCNC(=O)[*:1] O=C(c1ccccc1F)N1CCC2(CC1)OC[C@@H](N2C(=O)c1cccc(F)c1)[*:1]
Cc1ccc(NC(=O)NCCNc2ccc(C)nn2)c(Cl)c1 Cc1ccc(nn1)[*:1] Cc1ccc(NC(=O)NCCN[*:1])c(Cl)c1
CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1[*:1]
CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(C)cc1 Cc1ccc(O)c(c1)[*:1] CCCN1C(=O)c2[nH]nc(c2[C@@H]1c1ccc(C)cc1)[*:1]
CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1cc(C)ccc1O
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1ccc(Br)c(c1)[N+](=O)[O-]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 Fc1ccccc1O[*:1] C[C@H](C(=O)NNC(=O)c1ccc(Br)c(c1)[N+](=O)[O-])[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(Br)c(c1)[*:1]
CCOc1ccccc1NC(=O)c1csc(NC(=O)c2ccc(Cl)cc2)n1 CCO[*:1] O=C(Nc1nc(cs1)C(=O)Nc1ccccc1[*:1])c1ccc(Cl)cc1
CCOc1ccccc1NC(=O)c1csc(NC(=O)c2ccc(Cl)cc2)n1 CCOc1ccccc1[*:1] O=C(Nc1nc(cs1)C(=O)N[*:1])c1ccc(Cl)cc1
CCOc1ccccc1NC(=O)c1csc(NC(=O)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)c1csc(n1)NC(=O)[*:1]
Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SCC(=O)NC(C)C)n1C CC(C)NC(=O)[*:1] Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SC[*:1])n1C
Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SCC(=O)NC(C)C)n1C CC(C)NC(=O)CS[*:1] Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(n1C)[*:1]
Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SCC(=O)NC(C)C)n1C CC(C)NC(=O)C[*:1] Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(S[*:1])n1C
Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SCC(=O)NC(C)C)n1C CC(C)[*:1] Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SCC(=O)N[*:1])n1C
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[C@H](CCO)C1CC1 OCC[*:1] O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[C@H](C1CC1)[*:1]
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[C@H](CCO)C1CC1 C1CC1[*:1] O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[C@H](CCO)[*:1]
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[C@H](CCO)C1CC1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CCCN(C1=O)[*:1])N[C@H](CCO)C1CC1
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[C@H](CCO)C1CC1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCCN(C[*:1])C1=O)N[C@H](CCO)C1CC1
C=CCN(CC=C)C(=O)c1cc(N(C)C2CCCCC2)nc2ccccc12 C1CCC(CC1)[*:1] C=CCN(CC=C)C(=O)c1cc(nc2ccccc12)N(C)[*:1]
C=CCN(CC=C)C(=O)c1cc(N(C)C2CCCCC2)nc2ccccc12 C=CCN(CC=C)C(=O)[*:1] CN(c1cc(c2ccccc2n1)[*:1])C1CCCCC1
C=CCN(CC=C)C(=O)c1cc(N(C)C2CCCCC2)nc2ccccc12 C=CC[*:1] C=CCN(C(=O)c1cc(nc2ccccc12)N(C)C1CCCCC1)[*:1]
C=CCN(CC=C)C(=O)c1cc(N(C)C2CCCCC2)nc2ccccc12 CN(C1CCCCC1)[*:1] C=CCN(CC=C)C(=O)c1cc(nc2ccccc12)[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1=O COc1ccc(C)cc1[*:1] O=C(Nc1ccc(cc1N1CCOCC1)N1CCOCC1)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1=O C1CN(CCO1)[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1N1CCOCC1)[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1=O C1CN(CCO1)[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1[*:1])N1CCOCC1
C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1OC C=CC[*:1] CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(O[*:1])c(c1)OC
C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1OC CCC[*:1] C=CCOc1ccc(cc1OC)[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1OC C=CCO[*:1] CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(c(c1)OC)[*:1]
CSc1ncnc(N2CC[NH+](Cc3ccccc3C)CC2)c1C#N Cc1ccccc1[*:1] CSc1ncnc(c1C#N)N1CC[NH+](CC1)C[*:1]
CSc1ncnc(N2CC[NH+](Cc3ccccc3C)CC2)c1C#N Cc1ccccc1C[*:1] CSc1ncnc(c1C#N)N1CC[NH+](CC1)[*:1]
Cc1ccc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1 Cc1ccc(o1)[*:1] O=C1NC(=C[*:1])C(=O)N1Cc1ccc(Br)cc1
Cc1ccc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1 Brc1ccc(cc1)[*:1] Cc1ccc(/C=C2\NC(=O)N(C[*:1])C2=O)o1
NC(=O)c1cc(-c2csc(NC(=O)c3ccc(Br)o3)n2)c[nH]1 Brc1ccc(o1)[*:1] NC(=O)c1cc(c[nH]1)-c1csc(n1)NC(=O)[*:1]
NC(=O)c1cc(-c2csc(NC(=O)c3ccc(Br)o3)n2)c[nH]1 NC(=O)[*:1] O=C(Nc1nc(cs1)-c1c[nH]c(c1)[*:1])c1ccc(Br)o1
CC(C)c1cc(C(=O)Nc2cc(F)ccc2F)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)Nc1cc(F)ccc1F)[*:1]
COc1ccccc1OS(=O)(=O)c1cc2c3c(cccc3c1)C(=O)NC2=O COc1ccccc1[*:1] O=C1NC(=O)c2cc(cc3cccc1c23)S(=O)(=O)O[*:1]
COc1ccc(N2C[C@@H](/C([O-])=N/c3nc(C(F)(F)F)n[nH]3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C1C[C@@H](CN1[*:1])/C([O-])=N/c1nc(n[nH]1)C(F)(F)F
COc1ccc(N2C[C@@H](/C([O-])=N/c3nc(C(F)(F)F)n[nH]3)CC2=O)cc1 FC(F)(F)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)/C([O-])=N/c1nc(n[nH]1)[*:1]
CCC(CC)(NC(=O)N1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)N1CCN2C(=O)NC[C@H]2C1)[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc3cc(C)c4ccccc4n23)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)CSc2nnc3cc(C)c4ccccc4n23)c(C)c1[*:1]
Cn1cnc(NC(=O)NCc2cccc(Cl)c2F)n1 Cn1cnc(n1)[*:1] O=C(NCc1cccc(Cl)c1F)N[*:1]
CCCCc1nnc(NC(=O)NCC(=O)Nc2cccc(F)c2)s1 CCC[*:1] O=C(CNC(=O)Nc1nnc(C[*:1])s1)Nc1cccc(F)c1
CCCCc1nnc(NC(=O)NCC(=O)Nc2cccc(F)c2)s1 Fc1cccc(c1)[*:1] CCCCc1nnc(NC(=O)NCC(=O)N[*:1])s1
CCCCc1nnc(NC(=O)NCC(=O)Nc2cccc(F)c2)s1 CCCC[*:1] O=C(CNC(=O)Nc1nnc(s1)[*:1])Nc1cccc(F)c1
C[C@H](O)CN(C)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl C[C@H](O)[*:1] CN(C[*:1])C(=O)NCCOc1ncc(cc1Cl)C(F)(F)F
C[C@H](O)CN(C)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] C[C@H](O)CN(C)C(=O)NCCOc1ncc(cc1Cl)[*:1]
C[C@H](O)CN(C)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl C[C@H](O)C[*:1] CN(C(=O)NCCOc1ncc(cc1Cl)C(F)(F)F)[*:1]
CCOC(=O)c1c(NC(=O)CSc2nnc(C)c(=O)n2N)sc2c1CC[C@@H](C)C2 CCOC(=O)[*:1] Cc1nnc(SCC(=O)Nc2sc3C[C@H](C)CCc3c2[*:1])n(N)c1=O
CCOC(=O)c1c(NC(=O)CSc2nnc(C)c(=O)n2N)sc2c1CC[C@@H](C)C2 Cc1nnc(n(N)c1=O)[*:1] CCOC(=O)c1c(NC(=O)CS[*:1])sc2C[C@H](C)CCc21
COCCn1c(C)c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 Clc1cccc(c1)[*:1] COCCn1c(C)c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
COCCn1c(C)c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 COCC[*:1] Cc1c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1[*:1]
COCCn1c(C)c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 Clc1cccc(c1)C[*:1] COCCn1c(C)c(C)n2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
COCCn1c(C)c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 COC[*:1] Cc1c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1C[*:1]
O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cnc(Cl)s2)C1 Fc1ccc(cc1)[*:1] O=C(N[C@H]1CCN(Cc2cnc(Cl)s2)C1)N[*:1]
O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cnc(Cl)s2)C1 Clc1ncc(s1)[*:1] O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C1)C[*:1]
O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cnc(Cl)s2)C1 Clc1ncc(C[*:1])s1 O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C1)[*:1]
Cc1ccc(NC(=O)COc2ccccc2)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)COc1ccccc1
Cc1ccc(NC(=O)COc2ccccc2)cc1C(F)(F)F c1ccc(cc1)O[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)C[*:1]
Cc1ccc(NC(=O)COc2ccccc2)cc1C(F)(F)F c1ccc(cc1)[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)CO[*:1]
CCCN1CCO[C@H](c2ncnc(N)n2)C1 CCC[*:1] Nc1ncnc(n1)[C@@H]1CN(CCO1)[*:1]
Cc1cc(=O)n(C)cc1NC(=O)c1occc1Br Brc1ccoc1[*:1] Cc1cc(=O)n(C)cc1NC(=O)[*:1]
CCCCc1oc2ccccc2c1/C=C\C([O-])=N\S(C)(=O)=O CCC[*:1] CS(=O)(=O)/N=C([O-])/C=C\c1c(C[*:1])oc2ccccc12
CCCCc1oc2ccccc2c1/C=C\C([O-])=N\S(C)(=O)=O CCCC[*:1] CS(=O)(=O)/N=C([O-])/C=C\c1c(oc2ccccc12)[*:1]
O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1O[*:1])N1CCN(CC1)S(=O)(=O)c1cccs1
O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 c1ccc(cc1)O[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)S(=O)(=O)c1cccs1
O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1ccccc1Oc1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
Cn1nc2c(cc1=O)CN(C(=O)NCc1csc(C3CC3)n1)CC2 c1sc(nc1[*:1])C1CC1 Cn1nc2CCN(Cc2cc1=O)C(=O)NC[*:1]
Cn1nc2c(cc1=O)CN(C(=O)NCc1csc(C3CC3)n1)CC2 C1CC1[*:1] Cn1nc2CCN(Cc2cc1=O)C(=O)NCc1csc(n1)[*:1]
CC(C)C[C@H]1CCN(C(=O)C=C2CCSCC2)C1 CC(C)[*:1] O=C(C=C1CCSCC1)N1CC[C@@H](C1)C[*:1]
CC(C)C[C@H]1CCN(C(=O)C=C2CCSCC2)C1 CC(C)C[*:1] O=C(C=C1CCSCC1)N1CC[C@@H](C1)[*:1]
C[C@@H](Sc1ccc2c(c1)OCCCO2)[C@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Sc1ccc2OCCCOc2c1)[C@H](C)[*:1]
CCC[NH+]1CCN(C[C@@H]2CCC(C)(C)[C@@H]2[NH2+]C)CC1 CCC[*:1] C[NH2+][C@@H]1[C@@H](CCC1(C)C)CN1CC[NH+](CC1)[*:1]
COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cc(OC)ccc2OC)cc1 COc1ccc(OC)c(c1)[*:1] COc1ccc(cc1)NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1[*:1]
COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cc(OC)ccc2OC)cc1 COc1ccc(cc1)NC(=O)[*:1] COc1ccc(OC)c(c1)[C@@H]1C(=C(C)Nc2nc3ccccc3n21)[*:1]
COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cc(OC)ccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1C(C(=O)N[*:1])=C(C)Nc2nc3ccccc3n21
Cn1cccc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)c1=O CC(C)(C)OC(=O)[*:1] Cn1cccc(NC(=O)c2ccc(cc2)[*:1])c1=O
Cn1cccc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)c1=O CC(C)(C)[*:1] Cn1cccc(NC(=O)c2ccc(cc2)C(=O)O[*:1])c1=O
Cn1cccc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)c1=O Cn1cccc(c1=O)[*:1] CC(C)(C)OC(=O)c1ccc(cc1)C(=O)N[*:1]
CCCc1sc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1CC NS(=O)(=O)C[*:1] CCCc1sc(cc1CC)C(=O)N1CCC[C@H]1[*:1]
CCCc1sc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1CC CCC[*:1] CCc1cc(sc1[*:1])C(=O)N1CCC[C@@H]1CS(N)(=O)=O
CCCc1sc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1CC NS(=O)(=O)[*:1] CCCc1sc(cc1CC)C(=O)N1CCC[C@@H]1C[*:1]
CC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] CC(=O)Nc1cccnc1-c1ccc(cc1)C(=O)N[*:1]
CC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 CC(=O)N[*:1] Cc1ccc(cc1C)NC(=O)c1ccc(cc1)-c1ncccc1[*:1]
C/C(=N\Nc1ccncc1[N+](=O)[O-])C(=O)[O-] O=[N+]([O-])[*:1] C/C(=N\Nc1ccncc1[*:1])C(=O)[O-]
Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)c(N2CCCC2)o1 O=[N+]([O-])[*:1] Cc1cc(ccc1/N=C/c1cc(Br)c(o1)N1CCCC1)[*:1]
Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)c(N2CCCC2)o1 C1CCN(C1)[*:1] Cc1cc(ccc1/N=C/c1cc(Br)c(o1)[*:1])[N+](=O)[O-]
Cc1nn(C)c(C)c1CN(C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F Cc1nn(C)c(C)c1C[*:1] CN(C)C(=O)Cn1cccc2c(CN(C)[*:1])c(nc1-2)C(F)(F)F
Cc1nn(C)c(C)c1CN(C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F Cc1nn(C)c(C)c1[*:1] CN(Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F)C[*:1]
Cc1nn(C)c(C)c1CN(C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F CN(C)C(=O)[*:1] Cc1nn(C)c(C)c1CN(C)Cc1c2cccn(C[*:1])c-2nc1C(F)(F)F
Cc1nn(C)c(C)c1CN(C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F FC(F)(F)[*:1] Cc1nn(C)c(C)c1CN(C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1[*:1]
Cc1nn(C)c(C)c1CN(C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F CN(C)C(=O)C[*:1] Cc1nn(C)c(C)c1CN(C)Cc1c2cccn(c-2nc1C(F)(F)F)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)NCC(=O)Nc1ccc(F)cc1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)NCC(=O)Nc1ccc(F)cc1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)NCC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)NCC(=O)N[*:1]
C=CCN1C(=O)c2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2C1=O C=CC[*:1] O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CCc1ccccc1NC(=O)C(=O)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] CCc1ccccc1NC(=O)C(=O)NCC[*:1]
CCc1ccccc1NC(=O)C(=O)NCCCN1CCOCC1 C1CN(CCO1)[*:1] CCc1ccccc1NC(=O)C(=O)NCCC[*:1]
COC[C@H](C)NC(=O)CSCC(C)C CC(C)[*:1] COC[C@H](C)NC(=O)CSC[*:1]
COC[C@H](C)NC(=O)CSCC(C)C CC(C)C[*:1] COC[C@H](C)NC(=O)CS[*:1]
COC[C@H](C)NC(=O)CSCC(C)C COC[*:1] CC(C)CSCC(=O)N[C@@H](C)[*:1]
FC(F)(F)Cc1ccc2ccccc2c1 FC(F)(F)[*:1] c1ccc2cc(ccc2c1)C[*:1]
FC(F)(F)Cc1ccc2ccccc2c1 FC(F)(F)C[*:1] c1ccc2cc(ccc2c1)[*:1]
COc1ccc([C@@H]2C[C@@H]3C(=O)N=N[C@@H](SCC(=O)Nc4ccc(C)cc4Cl)N3N2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(NC(=O)CS[C@@H]2N=NC(=O)[C@H]3C[C@H](NN23)[*:1])c(Cl)c1
COc1ccc([C@@H]2C[C@@H]3C(=O)N=N[C@@H](SCC(=O)Nc4ccc(C)cc4Cl)N3N2)cc1OC Cc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1OC)[C@@H]1C[C@@H]2C(=O)N=N[C@@H](SCC(=O)N[*:1])N2N1
COc1ccc([C@@H]2C[C@@H]3C(=O)N=N[C@@H](SCC(=O)Nc4ccc(C)cc4Cl)N3N2)cc1OC Cc1ccc(NC(=O)[*:1])c(Cl)c1 COc1ccc(cc1OC)[C@@H]1C[C@@H]2C(=O)N=N[C@@H](SC[*:1])N2N1
COCC(=O)N1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)CC1 COC[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])N1N=C(C[C@@H]1c1cccs1)c1cccs1
COCC(=O)N1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)CC1 c1csc(c1)[*:1] COCC(=O)N1CCN(CC1)CC(=O)N1N=C(C[C@H]1[*:1])c1cccs1
COCC(=O)N1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)CC1 c1csc(c1)[*:1] COCC(=O)N1CCN(CC1)CC(=O)N1N=C(C[C@@H]1c1cccs1)[*:1]
COc1ccc(N2C[C@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C1C[C@H](CN1[*:1])c1nc(no1)-c1ccc(Br)cc1
COc1ccc(N2C[C@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)c1nc(no1)[*:1]
O=c1[nH]c(Cc2cccnc2)nc2sc3c(c12)CCSC3 c1cncc(c1)[*:1] O=c1[nH]c(C[*:1])nc2sc3CSCCc3c12
O=c1[nH]c(Cc2cccnc2)nc2sc3c(c12)CCSC3 c1cncc(c1)C[*:1] O=c1[nH]c(nc2sc3CSCCc3c12)[*:1]
CC(=O)c1cccc(S(=O)(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 CC(=O)c1cccc(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)[*:1]
CC(=O)c1cccc(S(=O)(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 CC(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1cccc(c1)[*:1]
CC(=O)c1cccc(S(=O)(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N(C)Cc1c(C)nn(c1C)[*:1]
CCCn1c(C)cc(-c2csc(NC(=O)[C@@H]3CCO[C@H]3C)n2)c1C CCC[*:1] Cc1cc(-c2csc(n2)NC(=O)[C@@H]2CCO[C@H]2C)c(C)n1[*:1]
COCCN1C(=O)NC(=N)[C@@]12CCCS[C@H]2C COC[*:1] C[C@@H]1SCCC[C@@]12C(=N)NC(=O)N2C[*:1]
COCCN1C(=O)NC(=N)[C@@]12CCCS[C@H]2C COCC[*:1] C[C@@H]1SCCC[C@@]12C(=N)NC(=O)N2[*:1]
NC(=O)C1CCN(C(=O)C2CCN(C(=O)Cc3cccc(F)c3)CC2)CC1 Fc1cccc(c1)C[*:1] NC(=O)C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)[*:1]
NC(=O)C1CCN(C(=O)C2CCN(C(=O)Cc3cccc(F)c3)CC2)CC1 NC(=O)[*:1] O=C(Cc1cccc(F)c1)N1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)C2CCN(C(=O)Cc3cccc(F)c3)CC2)CC1 Fc1cccc(c1)[*:1] NC(=O)C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C[*:1]
C[C@@H]1C[C@H](OC(=O)CSc2nnnn2C)CC(C)(C)C1 Cn1nnnc1[*:1] C[C@@H]1C[C@@H](CC(C)(C)C1)OC(=O)CS[*:1]
C[C@@H](CS(=O)(=O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](CS(=O)(=O)[C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
C[C@@H](CS(=O)(=O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] CS(=O)(=O)[*:1] C[C@@H](CS(=O)(=O)[C@@H]1CCC[C@H](C1)[*:1])C(=O)[O-]
C[C@@H](CS(=O)(=O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] C[C@@H](C(=O)[O-])[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)S(=O)(=O)C[*:1]
Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccccc1Cl Clc1ccccc1C[*:1] Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2[*:1]
Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2C[*:1]
Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccccc1Cl c1coc(c1)[*:1] Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)[*:1])C(=O)N2Cc1ccccc1Cl
COC(=O)C[C@@H]1CN(Cc2c(C)nn(CC(C)C)c2Cl)CCO1 COC(=O)C[*:1] Cc1nn(CC(C)C)c(Cl)c1CN1CCO[C@@H](C1)[*:1]
COC(=O)C[C@@H]1CN(Cc2c(C)nn(CC(C)C)c2Cl)CCO1 CC(C)[*:1] COC(=O)C[C@@H]1CN(CCO1)Cc1c(C)nn(C[*:1])c1Cl
COC(=O)C[C@@H]1CN(Cc2c(C)nn(CC(C)C)c2Cl)CCO1 COC(=O)[*:1] Cc1nn(CC(C)C)c(Cl)c1CN1CCO[C@@H](C1)C[*:1]
COC(=O)C[C@@H]1CN(Cc2c(C)nn(CC(C)C)c2Cl)CCO1 CC(C)C[*:1] COC(=O)C[C@@H]1CN(CCO1)Cc1c(C)nn(c1Cl)[*:1]
NC(=O)C(NC(=O)c1csc(-c2ccc(Cl)s2)n1)C(N)=O NC(=O)C(C(N)=O)[*:1] O=C(N[*:1])c1csc(n1)-c1ccc(Cl)s1
NC(=O)C(NC(=O)c1csc(-c2ccc(Cl)s2)n1)C(N)=O Clc1ccc(s1)[*:1] NC(=O)C(NC(=O)c1csc(n1)[*:1])C(N)=O
NC(=O)C(NC(=O)c1csc(-c2ccc(Cl)s2)n1)C(N)=O NC(=O)[*:1] NC(=O)C(NC(=O)c1csc(n1)-c1ccc(Cl)s1)[*:1]
CNC(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO OCC[*:1] CNC(=O)Nc1cc(nn1[*:1])-c1cccc(Cl)c1
CNC(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO CNC(=O)N[*:1] OCCn1nc(cc1[*:1])-c1cccc(Cl)c1
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc2c(c1)OCO2 Clc1ccc(Cl)c(c1)[*:1] CCCN(CC(=O)N[*:1])C(=O)c1ccc2OCOc2c1
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[*:1]
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc2c(c1)OCO2 CCC[*:1] O=C(CN(C(=O)c1ccc2OCOc2c1)[*:1])Nc1cc(Cl)ccc1Cl
CC(C)c1ccccc1NC(=O)C(=O)N1CCNC(=O)C1 CC(C)[*:1] O=C1CN(CCN1)C(=O)C(=O)Nc1ccccc1[*:1]
C[C@H](NC(=O)CCSc1ccccn1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)CCSc1ccccn1)[*:1]
C[C@H](NC(=O)CCSc1ccccn1)[C@H]1CCCO1 c1ccc(nc1)[*:1] C[C@H](NC(=O)CCS[*:1])[C@H]1CCCO1
CCn1cnnc1CNC(=O)NC[C@H]1C[C@]12CCc1ccccc12 CCn1cnnc1C[*:1] O=C(NC[C@H]1C[C@]12CCc1ccccc12)N[*:1]
CCn1cnnc1CNC(=O)NC[C@H]1C[C@]12CCc1ccccc12 CCn1cnnc1[*:1] O=C(NC[C@H]1C[C@]12CCc1ccccc12)NC[*:1]
CC(C)[C@H](CO)NS(=O)(=O)C(C)C CC(C)[*:1] CC(C)S(=O)(=O)N[C@@H](CO)[*:1]
CC(C)[C@H](CO)NS(=O)(=O)C(C)C CC(C)[*:1] CC(C)[C@H](CO)NS(=O)(=O)[*:1]
CSCc1cc(F)ccc1CNC(=O)c1cc(C)on1 Cc1cc(no1)[*:1] CSCc1cc(F)ccc1CNC(=O)[*:1]
CSCc1cc(F)ccc1CNC(=O)c1cc(C)on1 CSC[*:1] Cc1cc(no1)C(=O)NCc1ccc(F)cc1[*:1]
CC(C)N(C)C(=O)c1nc(C2CC2)n2ccccc12 CC(C)[*:1] CN(C(=O)c1nc(C2CC2)n2ccccc12)[*:1]
CC(C)N(C)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] CC(C)N(C)C(=O)c1nc(n2ccccc12)[*:1]
O=C(CC1CCCC1)c1cccc(C(F)(F)F)c1F C1CCC(C1)[*:1] O=C(C[*:1])c1cccc(c1F)C(F)(F)F
O=C(CC1CCCC1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] O=C(CC1CCCC1)c1cccc(c1F)[*:1]
O=C(CC1CCCC1)c1cccc(C(F)(F)F)c1F C1CCC(C1)C[*:1] O=C(c1cccc(c1F)C(F)(F)F)[*:1]
C[C@H](OC(=O)c1cc(F)cc(F)c1)c1nc2ccccc2n1C(F)F Fc1cc(F)cc(c1)[*:1] C[C@H](OC(=O)[*:1])c1nc2ccccc2n1C(F)F
C[C@H](OC(=O)c1cc(F)cc(F)c1)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@H](OC(=O)c1cc(F)cc(F)c1)c1nc2ccccc2n1[*:1]
COc1cccc(C(=O)N(C(C)C)C2CCCC2)c1F CC(C)[*:1] COc1cccc(C(=O)N(C2CCCC2)[*:1])c1F
COc1cccc(C(=O)N(C(C)C)C2CCCC2)c1F C1CCC(C1)[*:1] COc1cccc(C(=O)N(C(C)C)[*:1])c1F
CN(C[C@H]1CCOC1)C(=O)Nc1ccc(F)cc1C(F)(F)F FC(F)(F)[*:1] CN(C[C@H]1CCOC1)C(=O)Nc1ccc(F)cc1[*:1]
CN(C[C@H]1CCOC1)C(=O)Nc1ccc(F)cc1C(F)(F)F C1C[C@@H](CO1)[*:1] CN(C[*:1])C(=O)Nc1ccc(F)cc1C(F)(F)F
Cc1cnc(NC(=O)c2c(F)ccc(N)c2F)s1 Cc1cnc(s1)[*:1] Nc1ccc(F)c(C(=O)N[*:1])c1F
CS(=O)(=O)NCCC(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1 CS(=O)(=O)N[*:1] O=C([O-])c1cccc(c1)CC1CCN(CC1)C(=O)CC[*:1]
CS(=O)(=O)NCCC(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1 O=C([O-])[*:1] CS(=O)(=O)NCCC(=O)N1CCC(CC1)Cc1cccc(c1)[*:1]
CS(=O)(=O)NCCC(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1 CS(=O)(=O)NC[*:1] O=C([O-])c1cccc(c1)CC1CCN(CC1)C(=O)C[*:1]
CS(=O)(=O)NCCC(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1 CS(=O)(=O)NCC[*:1] O=C([O-])c1cccc(c1)CC1CCN(CC1)C(=O)[*:1]
CCOc1ccc(-n2c(S[C@H](C)C(N)=O)nnc2-c2ccccc2)cc1 NC(=O)[*:1] CCOc1ccc(cc1)-n1c(nnc1-c1ccccc1)S[C@H](C)[*:1]
CCOc1ccc(-n2c(S[C@H](C)C(N)=O)nnc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1c(nnc1[*:1])S[C@H](C)C(N)=O
CCOc1ccc(-n2c(S[C@H](C)C(N)=O)nnc2-c2ccccc2)cc1 CCO[*:1] C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(cc1)[*:1])C(N)=O
CC(C)[C@@H]([NH3+])C(=O)N1CCN(CCO)CC1 OCC[*:1] CC(C)[C@@H]([NH3+])C(=O)N1CCN(CC1)[*:1]
CC(C)[C@@H]([NH3+])C(=O)N1CCN(CCO)CC1 CC(C)[*:1] [NH3+][C@@H](C(=O)N1CCN(CCO)CC1)[*:1]
Cc1cccnc1NC(=O)[C@H]1CCCN(c2cnc3ccccc3n2)C1 Cc1cccnc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1cnc2ccccc2n1
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1cc[nH+]c(N(C)C)c1 CN(C)[*:1] CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1cc[nH+]c(c1)[*:1]
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1cc[nH+]c(N(C)C)c1 Clc1cc(Cl)cc(c1)[*:1] CN(C[*:1])C(=O)NCc1cc[nH+]c(c1)N(C)C
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c(C)noc1C O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)[C@@H](C)OC(=O)c1c(C)noc1C)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c(C)noc1C Cc1noc(C)c1[*:1] COc1ccc(cc1NC(=O)[C@@H](C)OC(=O)[*:1])[N+](=O)[O-]
CC(C)[C@@H](C)NC(=O)N[C@H](C)C(=O)NCc1ccco1 c1coc(c1)C[*:1] CC(C)[C@@H](C)NC(=O)N[C@H](C)C(=O)N[*:1]
CC(C)[C@@H](C)NC(=O)N[C@H](C)C(=O)NCc1ccco1 CC(C)[*:1] C[C@@H](NC(=O)N[C@H](C)[*:1])C(=O)NCc1ccco1
CC(C)[C@@H](C)NC(=O)N[C@H](C)C(=O)NCc1ccco1 CC(C)[C@@H](C)[*:1] C[C@@H](NC(=O)N[*:1])C(=O)NCc1ccco1
CC(C)[C@@H](C)NC(=O)N[C@H](C)C(=O)NCc1ccco1 c1coc(c1)[*:1] CC(C)[C@@H](C)NC(=O)N[C@H](C)C(=O)NC[*:1]
Cc1sc(NC(=O)c2ccccc2F)c(C#N)c1-c1ccccc1 Fc1ccccc1[*:1] Cc1sc(NC(=O)[*:1])c(C#N)c1-c1ccccc1
Cc1sc(NC(=O)c2ccccc2F)c(C#N)c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(NC(=O)c2ccccc2F)c(C#N)c1[*:1]
CC[C@@H](C)CS(=O)(=O)Cc1ccccc1C CC[C@@H](C)[*:1] Cc1ccccc1CS(=O)(=O)C[*:1]
CC[C@@H](C)CS(=O)(=O)Cc1ccccc1C CC[C@@H](C)C[*:1] Cc1ccccc1CS(=O)(=O)[*:1]
CN(Cc1cnc2cnccn12)C1CC[NH+](CCc2ccccn2)CC1 c1ccc(CC[*:1])nc1 CN(Cc1cnc2cnccn12)C1CC[NH+](CC1)[*:1]
CN(Cc1cnc2cnccn12)C1CC[NH+](CCc2ccccn2)CC1 c1ccc(C[*:1])nc1 CN(Cc1cnc2cnccn12)C1CC[NH+](CC1)C[*:1]
CN(Cc1cnc2cnccn12)C1CC[NH+](CCc2ccccn2)CC1 c1ccc(nc1)[*:1] CN(Cc1cnc2cnccn12)C1CC[NH+](CC1)CC[*:1]
CNC(=O)CS(=O)(=O)c1nc(C)c(C)n1C1CCCCC1 C1CCC(CC1)[*:1] CNC(=O)CS(=O)(=O)c1nc(C)c(C)n1[*:1]
CNC(=O)CS(=O)(=O)c1nc(C)c(C)n1C1CCCCC1 CNC(=O)[*:1] Cc1nc(n(c1C)C1CCCCC1)S(=O)(=O)C[*:1]
CNC(=O)CS(=O)(=O)c1nc(C)c(C)n1C1CCCCC1 CNC(=O)C[*:1] Cc1nc(n(c1C)C1CCCCC1)S(=O)(=O)[*:1]
COc1cccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC Clc1ccc(cc1)[*:1] COc1cccc(c1OC)[C@H]1CC(=O)N(C2CC(C)(C)CC(=O)C=21)[*:1]
COc1cccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC COc1cccc(c1OC)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(=O)C[C@@H]2[*:1])c1ccc(Cl)cc1
Cc1cccn2c(=O)c(/C=N/NC(=O)c3ccncc3)c(N3CCCC3)nc12 c1cc(ccn1)[*:1] Cc1cccn2c(=O)c(/C=N/NC(=O)[*:1])c(nc12)N1CCCC1
Cc1cccn2c(=O)c(/C=N/NC(=O)c3ccncc3)c(N3CCCC3)nc12 C1CCN(C1)[*:1] Cc1cccn2c(=O)c(/C=N/NC(=O)c3ccncc3)c(nc12)[*:1]
CC(=O)N[C@H](CC(=O)Nc1nc[nH]n1)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)Nc1nc[nH]n1)[*:1]
CC(=O)N[C@H](CC(=O)Nc1nc[nH]n1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Nc1nc[nH]n1)[*:1]
COc1cccc(C(=O)N2CCN(c3nc4ncccc4o3)CC2)c1 COc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1nc2ncccc2o1)[*:1]
CCCc1c([O-])[nH]c([C@H]2CN(CC)CCO2)nc1=O CCC[*:1] CCN1CCO[C@H](C1)c1nc(=O)c(c([O-])[nH]1)[*:1]
C[C@H](c1ccncc1)N(C)Cc1csc(CC(=O)N(C)C)n1 CN(C)C(=O)C[*:1] C[C@H](c1ccncc1)N(C)Cc1csc(n1)[*:1]
C[C@H](c1ccncc1)N(C)Cc1csc(CC(=O)N(C)C)n1 CN(C)C(=O)[*:1] C[C@H](c1ccncc1)N(C)Cc1csc(C[*:1])n1
C[C@H](c1ccncc1)N(C)Cc1csc(CC(=O)N(C)C)n1 c1cc(ccn1)[*:1] C[C@H](N(C)Cc1csc(CC(=O)N(C)C)n1)[*:1]
COc1ccc(C[NH+]2CCC(NCc3ccc(F)c(F)c3)CC2)cc1F Fc1ccc(cc1F)[*:1] COc1ccc(cc1F)C[NH+]1CCC(CC1)NC[*:1]
COc1cccc(Cc2nnc(NC(=O)NCc3cccs3)s2)c1 COc1cccc(c1)[*:1] O=C(NCc1cccs1)Nc1nnc(C[*:1])s1
COc1cccc(Cc2nnc(NC(=O)NCc3cccs3)s2)c1 c1csc(c1)C[*:1] COc1cccc(c1)Cc1nnc(NC(=O)N[*:1])s1
COc1cccc(Cc2nnc(NC(=O)NCc3cccs3)s2)c1 c1csc(c1)[*:1] COc1cccc(c1)Cc1nnc(NC(=O)NC[*:1])s1
Cc1cc(F)cc2c(NCCCOCC(F)(F)F)c(C#N)cnc12 FC(F)(F)CO[*:1] Cc1cc(F)cc2c(NCCC[*:1])c(C#N)cnc12
Cc1cc(F)cc2c(NCCCOCC(F)(F)F)c(C#N)cnc12 FC(F)(F)C[*:1] Cc1cc(F)cc2c(NCCCO[*:1])c(C#N)cnc12
Cc1cc(F)cc2c(NCCCOCC(F)(F)F)c(C#N)cnc12 FC(F)(F)COCC[*:1] Cc1cc(F)cc2c(NC[*:1])c(C#N)cnc12
Cc1cc(F)cc2c(NCCCOCC(F)(F)F)c(C#N)cnc12 FC(F)(F)[*:1] Cc1cc(F)cc2c(NCCCOC[*:1])c(C#N)cnc12
Cc1cc(F)cc2c(NCCCOCC(F)(F)F)c(C#N)cnc12 FC(F)(F)COC[*:1] Cc1cc(F)cc2c(NCC[*:1])c(C#N)cnc12
O=C([C@H](Sc1nnc(Cc2ccccc2)o1)c1ccccc1)N1CCOCC1 c1ccc(cc1)C[*:1] O=C([C@H](Sc1nnc(o1)[*:1])c1ccccc1)N1CCOCC1
O=C([C@H](Sc1nnc(Cc2ccccc2)o1)c1ccccc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1ccc(cc1)Cc1nnc(o1)S[C@H](c1ccccc1)[*:1]
O=C([C@H](Sc1nnc(Cc2ccccc2)o1)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@H](Sc1nnc(C[*:1])o1)c1ccccc1)N1CCOCC1
O=C([C@H](Sc1nnc(Cc2ccccc2)o1)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@H](Sc1nnc(Cc2ccccc2)o1)[*:1])N1CCOCC1
COc1ccccc1N1C[C@@](O)(c2ccc(F)cc2)[N+]2=C1CCCC2 Fc1ccc(cc1)[*:1] COc1ccccc1N1C[C@@](O)([N+]2CCCCC=21)[*:1]
COc1ccccc1N1C[C@@](O)(c2ccc(F)cc2)[N+]2=C1CCCC2 COc1ccccc1[*:1] O[C@]1(CN(C2CCCC[N+]=21)[*:1])c1ccc(F)cc1
Nc1nonc1-c1noc(-c2cc(F)c(F)cc2Cl)n1 Nc1nonc1[*:1] Fc1cc(Cl)c(cc1F)-c1nc(no1)[*:1]
C[C@@H]1CCCN(S(=O)(=O)Nc2ccn(Cc3ccccc3)n2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)Nc1ccn(C[*:1])n1
C[C@@H]1CCCN(S(=O)(=O)Nc2ccn(Cc3ccccc3)n2)C1 c1ccc(cc1)C[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)Nc1ccn(n1)[*:1]
Nc1nccc(N2CCC[C@@](Cc3ccc(F)cc3F)(C(=O)[O-])C2)n1 Fc1ccc(c(F)c1)[*:1] Nc1nccc(n1)N1CCC[C@@](C1)(C[*:1])C(=O)[O-]
Nc1nccc(N2CCC[C@@](Cc3ccc(F)cc3F)(C(=O)[O-])C2)n1 Nc1nccc(n1)[*:1] O=C([O-])[C@@]1(CCCN(C1)[*:1])Cc1ccc(F)cc1F
Nc1nccc(N2CCC[C@@](Cc3ccc(F)cc3F)(C(=O)[O-])C2)n1 O=C([O-])[*:1] Nc1nccc(n1)N1CCC[C@@](Cc2ccc(F)cc2F)(C1)[*:1]
C[C@@H](NC(=O)C1CCC1)c1cccc(F)c1 C1CC(C1)[*:1] C[C@@H](NC(=O)[*:1])c1cccc(F)c1
Cc1nc(CNC(=O)Cc2c(C)nc3ccccc3c2C)sc1C Cc1nc(sc1C)[*:1] Cc1nc2ccccc2c(C)c1CC(=O)NC[*:1]
Cc1nc(CNC(=O)Cc2c(C)nc3ccccc3c2C)sc1C Cc1nc(C[*:1])sc1C Cc1nc2ccccc2c(C)c1CC(=O)N[*:1]
CCOc1ccc(-n2ccn(CC(=O)NC3CCC(C)CC3)c(=O)c2=O)cc1 CCO[*:1] CC1CCC(CC1)NC(=O)Cn1ccn(-c2ccc(cc2)[*:1])c(=O)c1=O
CCOc1ccc(-n2ccn(CC(=O)NC3CCC(C)CC3)c(=O)c2=O)cc1 CC1CCC(CC1)[*:1] CCOc1ccc(cc1)-n1ccn(CC(=O)N[*:1])c(=O)c1=O
CCOc1ccc(-n2ccn(CC(=O)NC3CCC(C)CC3)c(=O)c2=O)cc1 CCOc1ccc(cc1)[*:1] CC1CCC(CC1)NC(=O)Cn1ccn(c(=O)c1=O)[*:1]
COC(=O)[C@]1(N)CCC[C@H]1CCSc1ccc(C)c(C)c1 COC(=O)[*:1] Cc1ccc(cc1C)SCC[C@@H]1CCC[C@]1(N)[*:1]
Cc1ccnc(NC(=O)COc2c(C)cc(C)cc2Br)c1 Cc1ccnc(c1)[*:1] Cc1cc(C)c(OCC(=O)N[*:1])c(Br)c1
CC(C)(CNC(=O)NCCCc1nnc2ccccn12)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)NCCCc1nnc2ccccn12)[*:1]
CCN1CCN(C(=O)CN2CCN(c3ccc(C)cc3)C2=O)CC1 Cc1ccc(cc1)[*:1] CCN1CCN(CC1)C(=O)CN1CCN(C1=O)[*:1]
CCO[C@H]1C[C@H](NC(=O)NCc2ncn(C)n2)C12CCC2 Cn1cnc(n1)[*:1] CCO[C@H]1C[C@H](NC(=O)NC[*:1])C12CCC2
CCO[C@H]1C[C@H](NC(=O)NCc2ncn(C)n2)C12CCC2 Cn1cnc(C[*:1])n1 CCO[C@H]1C[C@H](NC(=O)N[*:1])C12CCC2
CCO[C@H]1C[C@H](NC(=O)NCc2ncn(C)n2)C12CCC2 CCO[*:1] Cn1cnc(CNC(=O)N[C@H]2C[C@@H](C23CCC3)[*:1])n1
NC(=O)C1CCC(CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 NC(=O)C1CCC(CC1)[*:1] O=C(CCC(=O)c1ccc2CCCCc2c1)NC[*:1]
NC(=O)C1CCC(CNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 NC(=O)[*:1] O=C(CCC(=O)c1ccc2CCCCc2c1)NCC1CCC(CC1)[*:1]
Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c(=O)n2C FC(F)(F)[*:1] Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(Cl)c(c1)[*:1])c(=O)n2C
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 Clc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 CC(C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)[*:1]
O=C(CSc1nnc(C2CC2)s1)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(CSc1nnc(s1)[*:1])N[C@@H](c1ccccc1)C1CC1
O=C(CSc1nnc(C2CC2)s1)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(CSc1nnc(s1)C1CC1)N[C@@H](C1CC1)[*:1]
O=C(CSc1nnc(C2CC2)s1)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(CSc1nnc(s1)C1CC1)N[C@@H](c1ccccc1)[*:1]
C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1N)C(N)=O NC(=O)[*:1] C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1N)[*:1]
C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1N)C(N)=O C[C@@H](S[*:1])C(N)=O Nn1c(nnc1[*:1])-c1cccc(Cl)c1
C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1N)C(N)=O C[C@@H](C(N)=O)[*:1] Nn1c(nnc1-c1cccc(Cl)c1)S[*:1]
Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1c(Br)c(nn1CC(=O)NC[*:1])C(F)(F)F
Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1c(Br)c(nn1CC(=O)NCC[*:1])C(F)(F)F
Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NCCN1CCOCC1 FC(F)(F)[*:1] Cc1c(Br)c(nn1CC(=O)NCCN1CCOCC1)[*:1]
O=C(F)c1ccc(Br)cc1 O=C(F)[*:1] Brc1ccc(cc1)[*:1]
CCOc1cccc(/C=N/c2ccc3c(c2)CCC3)c1O CCO[*:1] Oc1c(/C=N/c2ccc3CCCc3c2)cccc1[*:1]
C[C@H]1[C@H](C)[NH+]1C[C@H](O)Cn1ccnc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H]1[C@H](C)[NH+]1C[C@H](O)Cn1ccnc1[*:1]
COC(=O)c1c[nH]c(-c2ccc(OC)c3ccccc23)n1 COC(=O)[*:1] COc1ccc(-c2nc(c[nH]2)[*:1])c2ccccc12
Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 O=[N+]([O-])[*:1] Cc1ccnc(c1)NC(=O)c1oc2CCC/C(=N\NC(=O)c3ccc(cc3)[*:1])c2c1C
Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 Cc1ccnc(c1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(cc3)[N+](=O)[O-])c21)C(=O)N[*:1]
Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 Cc1ccnc(c1)NC(=O)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(cc3)[N+](=O)[O-])c21)[*:1]
Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccnc(c1)NC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
C[NH+](CCc1cccs1)CC(C)(C)C=O c1csc(c1)[*:1] C[NH+](CC[*:1])CC(C)(C)C=O
C[NH+](CCc1cccs1)CC(C)(C)C=O CC(C)(C=O)[*:1] C[NH+](CCc1cccs1)C[*:1]
C[C@@H](Cc1cccc(F)c1)NC(=O)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] C[C@@H](Cc1cccc(F)c1)NC(=O)c1cnc(s1)[*:1]
C[C@@H](Cc1cccc(F)c1)NC(=O)c1cnc([C@H]2CCCO2)s1 Fc1cccc(c1)[*:1] C[C@@H](C[*:1])NC(=O)c1cnc(s1)[C@H]1CCCO1
CCOC(=O)C[C@@H](C)CNC(=O)N1CCC[C@@H]1c1ccccc1 CCOC(=O)[*:1] C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccccc1)C[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)N1CCC[C@@H]1c1ccccc1 CCOC(=O)C[*:1] C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccccc1)[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)N1CCC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C[C@@H](C)CNC(=O)N1CCC[C@H]1[*:1]
O=C(Cc1nc2ncc(Br)cc2nc1[O-])c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1nc2ncc(Br)cc2nc1[O-])[*:1]
Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c1 Fc1ccc(cc1)C[*:1] Cc1cccc(c1)N1C[C@@H](C)Cn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c1 Cc1cccc(c1)[*:1] C[C@@H]1CN(c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1)[*:1]
Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)N1C[C@@H](C)Cn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
Fc1cccc(Cl)c1C[C@@H]1COCC[C@@H]1[NH2+]C1CC1 C1CC1[*:1] Fc1cccc(Cl)c1C[C@@H]1COCC[C@@H]1[NH2+][*:1]
CCOc1cccc([C@H](O)C(C)(C)N2CCOCC2)c1 C1CN(CCO1)[*:1] CCOc1cccc(c1)[C@H](O)C(C)(C)[*:1]
CCOc1cccc([C@H](O)C(C)(C)N2CCOCC2)c1 CCO[*:1] CC(C)([C@@H](O)c1cccc(c1)[*:1])N1CCOCC1
Cc1[nH+]ccn1CCCCNc1nc(-c2ccncc2)nc2c1CCC2 c1cc(ccn1)[*:1] Cc1[nH+]ccn1CCCCNc1nc(nc2CCCc21)[*:1]
O=C1NC(=O)[C@@](Cc2ccccc2)(C2CCN(C(=O)[C@H](c3cccnc3)N3CCOCC3)CC2)N1 c1ccc(cc1)[*:1] O=C1NC(=O)[C@](C[*:1])(N1)C1CCN(CC1)C(=O)[C@H](c1cccnc1)N1CCOCC1
O=C1NC(=O)[C@@](Cc2ccccc2)(C2CCN(C(=O)[C@H](c3cccnc3)N3CCOCC3)CC2)N1 c1ccc(cc1)C[*:1] O=C1NC(=O)[C@](N1)(C1CCN(CC1)C(=O)[C@H](c1cccnc1)N1CCOCC1)[*:1]
O=C1NC(=O)[C@@](Cc2ccccc2)(C2CCN(C(=O)[C@H](c3cccnc3)N3CCOCC3)CC2)N1 C1CN(CCO1)[*:1] O=C1NC(=O)[C@](Cc2ccccc2)(N1)C1CCN(CC1)C(=O)[C@H](c1cccnc1)[*:1]
O=C1NC(=O)[C@@](Cc2ccccc2)(C2CCN(C(=O)[C@H](c3cccnc3)N3CCOCC3)CC2)N1 c1cncc(c1)[*:1] O=C1NC(=O)[C@](Cc2ccccc2)(N1)C1CCN(CC1)C(=O)[C@H](N1CCOCC1)[*:1]
O=C(NCc1ccccc1OC(F)F)c1ccc(Cl)cc1N1CCCC1=O FC(F)O[*:1] O=C(NCc1ccccc1[*:1])c1ccc(Cl)cc1N1CCCC1=O
O=C(NCc1ccccc1OC(F)F)c1ccc(Cl)cc1N1CCCC1=O FC(F)[*:1] O=C(NCc1ccccc1O[*:1])c1ccc(Cl)cc1N1CCCC1=O
O=C(NCc1ccccc1OC(F)F)c1ccc(Cl)cc1N1CCCC1=O O=C1CCCN1[*:1] O=C(NCc1ccccc1OC(F)F)c1ccc(Cl)cc1[*:1]
COc1ccc(Cl)c(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c1 CC(C)[*:1] COc1ccc(Cl)c(c1)NC(=O)c1cc2cnn(c2nc1C)[*:1]
COC(=O)c1cncc(N(CCC(=O)[O-])C(C)C)n1 CC(C)[*:1] COC(=O)c1cncc(n1)N(CCC(=O)[O-])[*:1]
COC(=O)c1cncc(N(CCC(=O)[O-])C(C)C)n1 COC(=O)[*:1] CC(C)N(CCC(=O)[O-])c1cncc(n1)[*:1]
COC(=O)c1cncc(N(CCC(=O)[O-])C(C)C)n1 O=C([O-])[*:1] COC(=O)c1cncc(n1)N(CC[*:1])C(C)C
COC(=O)c1cncc(N(CCC(=O)[O-])C(C)C)n1 O=C([O-])CC[*:1] COC(=O)c1cncc(n1)N(C(C)C)[*:1]
COC(=O)c1cncc(N(CCC(=O)[O-])C(C)C)n1 O=C([O-])C[*:1] COC(=O)c1cncc(n1)N(C[*:1])C(C)C
C[C@@H](Cn1cccn1)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] C[C@@H](Cn1cccn1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@@H](Cn1cccn1)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 c1cnn(c1)C[*:1] C[C@@H](NC(=O)c1ccc(cc1)NC(=O)c1ccco1)[*:1]
C[C@@H](Cn1cccn1)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 c1cnn(c1)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(cc1)NC(=O)c1ccco1
C[C@@H](Cn1cccn1)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 C[C@@H](Cn1cccn1)NC(=O)c1ccc(cc1)[*:1]
Cn1cc2c3c(cccc31)CN(C(=O)Nc1cccc(Cl)c1F)CC2 Fc1c(Cl)cccc1[*:1] Cn1cc2CCN(Cc3cccc1c23)C(=O)N[*:1]
COc1ccc(OCC(=O)Nc2cccc(N3CCCn4c(nc5ccccc54)C3)c2)cc1 COc1ccc(cc1)OC[*:1] O=C(Nc1cccc(c1)N1CCCn2c(C1)nc1ccccc12)[*:1]
COc1ccc(OCC(=O)Nc2cccc(N3CCCn4c(nc5ccccc54)C3)c2)cc1 COc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1cccc(c1)N1CCCn2c(C1)nc1ccccc12
COc1ccc(OCC(=O)Nc2cccc(N3CCCn4c(nc5ccccc54)C3)c2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1cccc(c1)N1CCCn2c(C1)nc1ccccc12
CCc1ncc2c(n1)CN(C(=O)COC[C@@H]1CCCCO1)C2 C1CC[C@@H](C[*:1])OC1 CCc1ncc2CN(Cc2n1)C(=O)CO[*:1]
CCc1ncc2c(n1)CN(C(=O)COC[C@@H]1CCCCO1)C2 C1CC[C@H](OC1)[*:1] CCc1ncc2CN(Cc2n1)C(=O)COC[*:1]
CC(C)Cc1ncc2c(n1)CN(C(=O)C[C@H]1NC(=O)c3ccccc31)C2 CC(C)C[*:1] O=C1N[C@H](CC(=O)N2Cc3cnc(nc3C2)[*:1])c2ccccc21
CC(C)Cc1ncc2c(n1)CN(C(=O)C[C@H]1NC(=O)c3ccccc31)C2 CC(C)[*:1] O=C1N[C@H](CC(=O)N2Cc3cnc(C[*:1])nc3C2)c2ccccc21
C[C@@H]([NH2+]CCOCc1ccccc1)c1nc2ccccc2n1C c1ccc(cc1)C[*:1] C[C@@H]([NH2+]CCO[*:1])c1nc2ccccc2n1C
C[C@@H]([NH2+]CCOCc1ccccc1)c1nc2ccccc2n1C c1ccc(cc1)[*:1] C[C@@H]([NH2+]CCOC[*:1])c1nc2ccccc2n1C
Cc1ccc(-n2ncc3c(-n4nc(C)cc4NC(=O)c4cc(=O)c5ccccc5o4)ncnc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)n(n1)-c1ncnc2c1cnn2[*:1]
Cc1ccc(-n2ncc3c(-n4nc(C)cc4NC(=O)c4cc(=O)c5ccccc5o4)ncnc32)c(C)c1 O=c1cc(oc2ccccc12)[*:1] Cc1ccc(c(C)c1)-n1ncc2c(ncnc21)-n1nc(C)cc1NC(=O)[*:1]
O=c1c(Cl)c(NC[C@H]2CCC[C@@H](O)C2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c(Cl)c(cnn1[*:1])NC[C@H]1CCC[C@@H](O)C1
FC(F)(F)Cn1cc[nH+]c1CN1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] FC(F)(F)Cn1cc[nH+]c1CN1CCC[C@H]1[*:1]
FC(F)(F)Cn1cc[nH+]c1CN1CCC[C@@H]1CN1CCOCC1 FC(F)(F)C[*:1] c1cn(c(CN2CCC[C@@H]2CN2CCOCC2)[nH+]1)[*:1]
FC(F)(F)Cn1cc[nH+]c1CN1CCC[C@@H]1CN1CCOCC1 FC(F)(F)[*:1] c1cn(C[*:1])c(CN2CCC[C@@H]2CN2CCOCC2)[nH+]1
FC(F)(F)Cn1cc[nH+]c1CN1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] FC(F)(F)Cn1cc[nH+]c1CN1CCC[C@@H]1C[*:1]
CCCOc1ccccc1NC(=O)COC1=C[C@H]2[NH+]=c3ccccc3=C2C=C1 CCCO[*:1] O=C(COC1C=CC2=c3ccccc3=[NH+][C@@H]2C=1)Nc1ccccc1[*:1]
CCCOc1ccccc1NC(=O)COC1=C[C@H]2[NH+]=c3ccccc3=C2C=C1 CCC[*:1] O=C(COC1C=CC2=c3ccccc3=[NH+][C@@H]2C=1)Nc1ccccc1O[*:1]
O=C(CCCCc1ccc(Br)cc1)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] O=C(CCCCc1ccc(Br)cc1)NC1CCN(CC1)C(=O)[*:1]
O=C(CCCCc1ccc(Br)cc1)NC1CCN(C(=O)c2ccoc2)CC1 Brc1ccc(cc1)C[*:1] O=C(CCC[*:1])NC1CCN(CC1)C(=O)c1ccoc1
O=C(CCCCc1ccc(Br)cc1)NC1CCN(C(=O)c2ccoc2)CC1 Brc1ccc(cc1)[*:1] O=C(CCCC[*:1])NC1CCN(CC1)C(=O)c1ccoc1
O=C(CCCCc1ccc(Br)cc1)NC1CCN(C(=O)c2ccoc2)CC1 Brc1ccc(cc1)CC[*:1] O=C(CC[*:1])NC1CCN(CC1)C(=O)c1ccoc1
C=C[C@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] C=C[C@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)[*:1]
Cn1c(=O)[nH]c2cc(C(=O)Nc3ccc(NC(=O)OC(C)(C)C)cc3)ccc21 CC(C)(C)OC(=O)N[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)Nc1ccc(cc1)[*:1]
Cn1c(=O)[nH]c2cc(C(=O)Nc3ccc(NC(=O)OC(C)(C)C)cc3)ccc21 CC(C)(C)[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)Nc1ccc(cc1)NC(=O)O[*:1]
Cc1ccc(O[C@H](C)C(=O)Nc2ccon2)cc1C c1cc(no1)[*:1] Cc1ccc(cc1C)O[C@H](C)C(=O)N[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NC2(c3ccccc3)CCC2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NC1(CCC1)[*:1]
CCCn1cc(NC(=O)[C@H](NC(C)=O)C(C)C)cn1 CC(C)[*:1] CCCn1cc(cn1)NC(=O)[C@H](NC(C)=O)[*:1]
CCCn1cc(NC(=O)[C@H](NC(C)=O)C(C)C)cn1 CC(=O)N[*:1] CCCn1cc(cn1)NC(=O)[C@H](C(C)C)[*:1]
CCCn1cc(NC(=O)[C@H](NC(C)=O)C(C)C)cn1 CCC[*:1] CC(=O)N[C@@H](C(=O)Nc1cnn(c1)[*:1])C(C)C
O=C(Nc1cccc(Cl)c1Cl)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1Cl)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1cccc(Cl)c1Cl)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 Clc1cccc(c1Cl)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1
C[NH+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)Cc1ccccc1N1CCOCC1 Clc1cccc(c1)[*:1] C[NH+](CC(=O)N1CCN(CC1)[*:1])Cc1ccccc1N1CCOCC1
C[NH+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)Cc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] C[NH+](CC(=O)N1CCN(CC1)c1cccc(Cl)c1)Cc1ccccc1[*:1]
CN1CC(=O)N(CCCC(=O)N2CCC[C@H]2c2ccccc2)C1=O CN1CC(=O)N(C1=O)[*:1] O=C(CCC[*:1])N1CCC[C@H]1c1ccccc1
CN1CC(=O)N(CCCC(=O)N2CCC[C@H]2c2ccccc2)C1=O c1ccc(cc1)[*:1] CN1CC(=O)N(CCCC(=O)N2CCC[C@@H]2[*:1])C1=O
CCC(=O)Nc1cccc2c1C(=O)N(C)C2=O CCC(=O)N[*:1] CN1C(=O)c2cccc(c2C1=O)[*:1]
CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)c(C(F)(F)F)c1 Clc1ccc(cc1)[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccc(Cl)c(c1)C(F)(F)F
CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)c(c1)[*:1]
COC(=O)c1ccc(CNc2nc(C)c(-c3ccn(-c4ccc5c(c4)OCO5)n3)s2)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1nc(NC[*:1])sc1-c1ccn(n1)-c1ccc2OCOc2c1
COC(=O)c1ccc(CNc2nc(C)c(-c3ccn(-c4ccc5c(c4)OCO5)n3)s2)cc1 c1cc2OCOc2cc1[*:1] COC(=O)c1ccc(cc1)CNc1nc(C)c(s1)-c1ccn(n1)[*:1]
COC(=O)c1ccc(CNc2nc(C)c(-c3ccn(-c4ccc5c(c4)OCO5)n3)s2)cc1 COC(=O)[*:1] Cc1nc(NCc2ccc(cc2)[*:1])sc1-c1ccn(n1)-c1ccc2OCOc2c1
COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1ccc(C(N)=O)o1 NC(=O)c1ccc(o1)[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)NC[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1ccc(C(N)=O)o1 NC(=O)[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1ccc(o1)[*:1]
O=S1(=O)CCCN1CCCCCCS SCC[*:1] O=S1(=O)CCCN1CCCC[*:1]
O=S1(=O)CCCN1CCCCCCS SCCC[*:1] O=S1(=O)CCCN1CCC[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1ccccc1SCc1nc(C)no1 Cc1noc(C[*:1])n1 CCC[C@@H]1C[C@@H]1NC(=O)c1ccccc1S[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1ccccc1SCc1nc(C)no1 Cc1noc(n1)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)c1ccccc1SC[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1ccccc1SCc1nc(C)no1 CCC[*:1] Cc1noc(CSc2ccccc2C(=O)N[C@H]2C[C@H]2[*:1])n1
CCOc1ccc(C(=O)NNC(=O)NC2CCCCCCC2)cc1 CCO[*:1] O=C(NNC(=O)c1ccc(cc1)[*:1])NC1CCCCCCC1
CCOc1ccc(C(=O)NNC(=O)NC2CCCCCCC2)cc1 C1CCCC(CCC1)[*:1] CCOc1ccc(cc1)C(=O)NNC(=O)N[*:1]
CCOC(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c2nc(C)ccc2c1=O CCOC(=O)[*:1] Cc1ccc2c(=O)c(cn(Cc3cccc(c3)C(F)(F)F)c2n1)[*:1]
CCOC(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c2nc(C)ccc2c1=O FC(F)(F)[*:1] CCOC(=O)c1cn(Cc2cccc(c2)[*:1])c2nc(C)ccc2c1=O
CC(=O)CCCOC(=O)c1c(C)nn(-c2ccc(F)cc2F)c1C CC(=O)CCC[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)O[*:1]
CC(=O)CCCOC(=O)c1c(C)nn(-c2ccc(F)cc2F)c1C Fc1ccc(c(F)c1)[*:1] CC(=O)CCCOC(=O)c1c(C)nn(c1C)[*:1]
CC(=O)CCCOC(=O)c1c(C)nn(-c2ccc(F)cc2F)c1C CC(=O)[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OCCC[*:1]
CC(=O)CCCOC(=O)c1c(C)nn(-c2ccc(F)cc2F)c1C CC(=O)C[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OCC[*:1]
CC(=O)CCCOC(=O)c1c(C)nn(-c2ccc(F)cc2F)c1C CC(=O)CC[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OC[*:1]
COCCN1CCC[C@@H]([C@H](C)[NH3+])C1 COC[*:1] C[C@H]([NH3+])[C@@H]1CCCN(C1)C[*:1]
COCCN1CCC[C@@H]([C@H](C)[NH3+])C1 COCC[*:1] C[C@H]([NH3+])[C@@H]1CCCN(C1)[*:1]
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCS(=O)(=O)CC1 O=S1(=O)CCC(CC1)[*:1] CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[*:1]
CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCS(=O)(=O)CC1 FC(F)(F)[*:1] CN(Cc1cc(cc(c1)[*:1])C(F)(F)F)C1CCS(=O)(=O)CC1
O=C(CN1CCS(=O)(=O)CC1)NC1CCOCC1 C1CC(CCO1)[*:1] O=C(CN1CCS(=O)(=O)CC1)N[*:1]
COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(C(=O)C1(c3ccccc3)CC1)CC2 Cc1nonc1C[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)[*:1])C(=O)C1(CC1)c1ccccc1
COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(C(=O)C1(c3ccccc3)CC1)CC2 Cc1nonc1[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)C[*:1])C(=O)C1(CC1)c1ccccc1
COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(C(=O)C1(c3ccccc3)CC1)CC2 c1ccc(cc1)C1(CC1)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)Cc1nonc1C)C(=O)[*:1]
COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(C(=O)C1(c3ccccc3)CC1)CC2 c1ccc(cc1)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)Cc1nonc1C)C(=O)C1(CC1)[*:1]
C[C@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccs2)C[C@@H](C)O1 c1csc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@@H](C)NC(=O)[*:1]
C[C@H]1C[C@H]1N1C[C@H](NC(=O)C2(C#N)CCCCC2)CC1=O C[C@H]1C[C@@H]1[*:1] N#CC1(CCCCC1)C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)CN1C(=O)CN(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H](c1ccccc1)N(C)C(=O)CN1C(=O)CN(C1=O)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)CN1C(=O)CN(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)CN1C(=O)CN(C1=O)c1ccccc1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)CN1C(=O)CN(c2ccccc2)C1=O C[C@@H](c1ccccc1)[*:1] CN(C(=O)CN1C(=O)CN(C1=O)c1ccccc1)[*:1]
CCc1nc(CNC(=O)[C@@H](C)CCc2ccccc2F)cs1 CCc1nc(cs1)[*:1] C[C@@H](CCc1ccccc1F)C(=O)NC[*:1]
CCc1nc(CNC(=O)[C@@H](C)CCc2ccccc2F)cs1 Fc1ccccc1[*:1] CCc1nc(cs1)CNC(=O)[C@@H](C)CC[*:1]
Cc1ccccc1NC(=O)C[S@@](=O)[C@H](C)c1ccc(F)c(F)c1 Cc1ccccc1[*:1] C[C@H](c1ccc(F)c(F)c1)[S@](=O)CC(=O)N[*:1]
Nc1nc(SCC(=O)Nc2cccc(CSc3ccccn3)c2)n[nH]1 c1ccc(nc1)[*:1] Nc1nc(n[nH]1)SCC(=O)Nc1cccc(c1)CS[*:1]
Nc1nc(SCC(=O)Nc2cccc(CSc3ccccn3)c2)n[nH]1 Nc1nc(n[nH]1)[*:1] O=C(CS[*:1])Nc1cccc(c1)CSc1ccccn1
Nc1nc(SCC(=O)Nc2cccc(CSc3ccccn3)c2)n[nH]1 c1ccc(nc1)SC[*:1] Nc1nc(n[nH]1)SCC(=O)Nc1cccc(c1)[*:1]
Nc1nc(SCC(=O)Nc2cccc(CSc3ccccn3)c2)n[nH]1 Nc1nc(n[nH]1)S[*:1] O=C(C[*:1])Nc1cccc(c1)CSc1ccccn1
Nc1nc(SCC(=O)Nc2cccc(CSc3ccccn3)c2)n[nH]1 Nc1nc(n[nH]1)SC[*:1] O=C(Nc1cccc(c1)CSc1ccccn1)[*:1]
Nc1nc(SCC(=O)Nc2cccc(CSc3ccccn3)c2)n[nH]1 c1ccc(nc1)S[*:1] Nc1nc(n[nH]1)SCC(=O)Nc1cccc(c1)C[*:1]
CC(C)(C)NC(=O)Cn1ccnc1C#N CC(C)(C)[*:1] N#Cc1nccn1CC(=O)N[*:1]
COCCn1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(-c4ccccc4)cn23)n(C)c1=O Cc1ccc(cc1Cl)[*:1] COCCn1c(=O)c2c(nc3n(c(cn23)-c2ccccc2)[*:1])n(C)c1=O
COCCn1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(-c4ccccc4)cn23)n(C)c1=O c1ccc(cc1)[*:1] COCCn1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(cn23)[*:1])n(C)c1=O
COCCn1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(-c4ccccc4)cn23)n(C)c1=O COCC[*:1] Cc1ccc(cc1Cl)-n1c(cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1])-c1ccccc1
COCCn1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(-c4ccccc4)cn23)n(C)c1=O COC[*:1] Cc1ccc(cc1Cl)-n1c(cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12)-c1ccccc1
Cc1ccc(NC(=O)Cc2nnc(-c3ccsc3)o2)cc1C c1cc(cs1)[*:1] Cc1ccc(cc1C)NC(=O)Cc1nnc(o1)[*:1]
COc1ccc(Cl)cc1NC(=O)C(=O)NCC[NH+]1CCC(c2ccsc2)CC1 c1cc(cs1)[*:1] COc1ccc(Cl)cc1NC(=O)C(=O)NCC[NH+]1CCC(CC1)[*:1]
COc1ccc(Cl)cc1NC(=O)C(=O)NCC[NH+]1CCC(c2ccsc2)CC1 COc1ccc(Cl)cc1[*:1] O=C(NCC[NH+]1CCC(CC1)c1ccsc1)C(=O)N[*:1]
Cn1c(SCC(=O)c2ccc(OC(F)F)cc2)nc2ccccc2c1=O FC(F)[*:1] Cn1c(nc2ccccc2c1=O)SCC(=O)c1ccc(cc1)O[*:1]
Cn1c(SCC(=O)c2ccc(OC(F)F)cc2)nc2ccccc2c1=O FC(F)O[*:1] Cn1c(nc2ccccc2c1=O)SCC(=O)c1ccc(cc1)[*:1]
C[C@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(Cc2ccccc2)CC1 NC(=O)c1ccccc1[*:1] C[C@H](O[*:1])C(=O)N1CCC(CC1)Cc1ccccc1
C[C@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(CC1)C[*:1]
C[C@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(CC1)[*:1]
C[C@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(Cc2ccccc2)CC1 NC(=O)[*:1] C[C@H](Oc1ccccc1[*:1])C(=O)N1CCC(CC1)Cc1ccccc1
c1ccc(Cn2cc[nH+]c2CN2CCSc3ccccc32)cc1 c1ccc(cc1)C[*:1] c1ccc2c(c1)SCCN2Cc1[nH+]ccn1[*:1]
c1ccc(Cn2cc[nH+]c2CN2CCSc3ccccc32)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)SCCN2Cc1[nH+]ccn1C[*:1]
CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\Nc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\N[*:1])C1CCCCC1
CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\Nc1ccc(Cl)cc1Cl C1CCC(CC1)[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\Nc1ccc(Cl)cc1Cl)[*:1]
CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\Nc1ccc(Cl)cc1Cl Clc1ccc(N[*:1])c(Cl)c1 CC1=C(C#N)C(=O)N(C(=O)C1=C[*:1])C1CCCCC1
CCCS(=O)(=O)N1CCC[C@H](C(=O)OC)C1 COC(=O)[*:1] CCCS(=O)(=O)N1CCC[C@H](C1)[*:1]
CCCS(=O)(=O)N1CCC[C@H](C(=O)OC)C1 CCC[*:1] COC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H](C)[NH2+][C@@H](C)CC[*:1]
COC[C@H]1CN(Cc2cnc3cnccn23)CCO1 COC[*:1] c1cn2c(cnc2cn1)CN1CCO[C@H](C1)[*:1]
CCC[C@H](NC(=O)c1ccnc(C2CCCC2)n1)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1ccnc(n1)C1CCCC1)[*:1]
CCC[C@H](NC(=O)c1ccnc(C2CCCC2)n1)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1ccnc(n1)C1CCCC1)[*:1]
CCC[C@H](NC(=O)c1ccnc(C2CCCC2)n1)C(=O)OC C1CCC(C1)[*:1] CCC[C@H](NC(=O)c1ccnc(n1)[*:1])C(=O)OC
CCN(c1ccc(C(=O)NCc2ccc([S@](C)=O)cc2)cc1)C(C)C CCN(C(C)C)[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)c1ccc(cc1)[*:1]
CCN(c1ccc(C(=O)NCc2ccc([S@](C)=O)cc2)cc1)C(C)C CC(C)[*:1] CCN(c1ccc(cc1)C(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
CCOC(=O)c1csc(NC(=O)c2cccc(OC)c2F)n1 CCOC(=O)[*:1] COc1cccc(C(=O)Nc2nc(cs2)[*:1])c1F
COc1cccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)c1 O=C(C[*:1])N1CCOCC1 COc1cccc(c1)C(=O)Nc1ccc2nc(S[*:1])sc2c1
COc1cccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)c1 O=C(N1CCOCC1)[*:1] COc1cccc(c1)C(=O)Nc1ccc2nc(SC[*:1])sc2c1
COc1cccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)c1 O=C(CS[*:1])N1CCOCC1 COc1cccc(c1)C(=O)Nc1ccc2nc(sc2c1)[*:1]
COc1cccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)c1 COc1cccc(c1)[*:1] O=C(CSc1nc2ccc(cc2s1)NC(=O)[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)N1CCN(CC1)[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN(c2ncccn2)CC1 C1CN(CCO1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)N1CCN(CC1)c1ncccn1)[*:1]
C[C@@H](Br)CNCCC[NH3+] [NH3+]CC[*:1] C[C@@H](Br)CNC[*:1]
C[C@@H](Br)CNCCC[NH3+] C[C@@H](Br)[*:1] [NH3+]CCCNC[*:1]
O=C(/C=C/c1cccs1)NCC12CC3CC(CC(C3)C1)C2 C(=C[*:1])c1cccs1 O=C(NCC12CC3CC(CC(C3)C1)C2)[*:1]
O=C(/C=C/c1cccs1)NCC12CC3CC(CC(C3)C1)C2 c1csc(c1)[*:1] O=C(C=C[*:1])NCC12CC3CC(CC(C3)C1)C2
O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)Nc1ccccc1Cl c1cc2OCOc2cc1[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1ccccc1Cl
O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cn1nc(ccc1=O)-c1ccc2OCOc2c1)N[*:1]
Cn1cc([C@H](CO)NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cn1 FC(F)[*:1] Cn1cc(cn1)[C@H](CO)NC(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
Cn1cc([C@H](CO)NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cn1 Cn1cc(cn1)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)N[C@@H](CO)[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)N[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCc2ccccn2)n1 Cc1cc(F)ccc1[*:1] O=C(NCc1ccccn1)c1nn(cc1[O-])[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)NC[*:1]
Cc1cc(S[C@H](C(N)=O)c2ccc(F)cc2)nc(C)n1 NC(=O)[*:1] Cc1cc(nc(C)n1)S[C@H](c1ccc(F)cc1)[*:1]
CC[C@@H](C)n1ccc(C[C@@H](N)C(C)(C)[NH+]2CCCCC2)n1 CC[C@@H](C)[*:1] CC(C)([C@H](N)Cc1ccn(n1)[*:1])[NH+]1CCCCC1
CCc1nn(C)cc1CNc1ccc(NC(C)=O)c(OC)c1 CC(=O)N[*:1] CCc1nn(C)cc1CNc1ccc(c(c1)OC)[*:1]
O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])ccc1Cl Clc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(Nc1nnc(o1)-c1ccc(Cl)cc1)c1cc(ccc1Cl)[*:1]
CCc1nn(C)cc1C(=O)N(Cc1ccc(O)cc1)CC1CC1 Oc1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)N(CC1CC1)C[*:1]
CCc1nn(C)cc1C(=O)N(Cc1ccc(O)cc1)CC1CC1 C1CC1C[*:1] CCc1nn(C)cc1C(=O)N(Cc1ccc(O)cc1)[*:1]
CCc1nn(C)cc1C(=O)N(Cc1ccc(O)cc1)CC1CC1 C1CC1[*:1] CCc1nn(C)cc1C(=O)N(Cc1ccc(O)cc1)C[*:1]
CCc1ccc(-c2nc(CC(=O)Nc3nc(C)c(C)s3)cs2)cc1 Cc1nc(sc1C)[*:1] CCc1ccc(cc1)-c1nc(cs1)CC(=O)N[*:1]
CCc1ccc(-c2nc(CC(=O)Nc3nc(C)c(C)s3)cs2)cc1 CCc1ccc(cc1)[*:1] Cc1nc(NC(=O)Cc2csc(n2)[*:1])sc1C
COC(=O)CCN(Cc1ccccc1C#N)C(C)C COC(=O)CC[*:1] CC(C)N(Cc1ccccc1C#N)[*:1]
COC(=O)CCN(Cc1ccccc1C#N)C(C)C CC(C)[*:1] COC(=O)CCN(Cc1ccccc1C#N)[*:1]
COC(=O)CCN(Cc1ccccc1C#N)C(C)C COC(=O)[*:1] CC(C)N(CC[*:1])Cc1ccccc1C#N
COC(=O)CCN(Cc1ccccc1C#N)C(C)C COC(=O)C[*:1] CC(C)N(Cc1ccccc1C#N)C[*:1]
N#Cc1c(C(F)(F)F)ccc(F)c1F FC(F)(F)[*:1] N#Cc1c(ccc(F)c1F)[*:1]
CCCC[C@@H](C(C)=O)C(=O)OC COC(=O)[*:1] CCCC[C@@H](C(C)=O)[*:1]
CCCC[C@@H](C(C)=O)C(=O)OC CC(=O)[*:1] CCCC[C@@H](C(=O)OC)[*:1]
CCCC[C@@H](C(C)=O)C(=O)OC CCC[*:1] COC(=O)[C@@H](C[*:1])C(C)=O
CCCC[C@@H](C(C)=O)C(=O)OC CCCC[*:1] COC(=O)[C@H](C(C)=O)[*:1]
Cc1ccc(N2CC[C@H]([NH2+]C/C=C/c3ccc(C#N)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(/C=C/C[NH2+][C@H]2CCN(C2=O)[*:1])cc1
Cc1ccc(N2CC[C@H]([NH2+]C/C=C/c3ccc(C#N)cc3)C2=O)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N1CC[C@H]([NH2+]CC=C[*:1])C1=O
CCCC[NH+](CC(N)=O)Cc1c(C)nc2sc(C)cn12 CCCC[*:1] Cc1cn2c(C[NH+](CC(N)=O)[*:1])c(C)nc2s1
CCCC[NH+](CC(N)=O)Cc1c(C)nc2sc(C)cn12 NC(=O)C[*:1] CCCC[NH+](Cc1c(C)nc2sc(C)cn12)[*:1]
CCCC[NH+](CC(N)=O)Cc1c(C)nc2sc(C)cn12 NC(=O)[*:1] CCCC[NH+](Cc1c(C)nc2sc(C)cn12)C[*:1]
CCCC[NH+](CC(N)=O)Cc1c(C)nc2sc(C)cn12 CCC[*:1] Cc1cn2c(C[NH+](CC(N)=O)C[*:1])c(C)nc2s1
CC(=O)Nc1ccc(/C=C/C([O-])=N/S(C)(=O)=O)cc1 CC(=O)N[*:1] CS(=O)(=O)/N=C([O-])/C=C/c1ccc(cc1)[*:1]
Cc1cc(NC(=O)c2ccc(N3CCCCCC3)nc2)ccn1 Cc1cc(ccn1)[*:1] O=C(N[*:1])c1ccc(nc1)N1CCCCCC1
Cc1cc(NC(=O)c2ccc(N3CCCCCC3)nc2)ccn1 C1CCCN(CC1)[*:1] Cc1cc(ccn1)NC(=O)c1ccc(nc1)[*:1]
Cc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc(C(C)C)cc1 Cc1nn(C)c(C)c1[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N(C)CC[*:1]
Cc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1Cc1nn2c(-c3ccsc3)nnc2s1 c1cc(cs1)[*:1] Cc1noc(C)c1Cc1nn2c(nnc2s1)[*:1]
Cc1noc(C)c1Cc1nn2c(-c3ccsc3)nnc2s1 Cc1noc(C)c1[*:1] c1cc(cs1)-c1nnc2sc(C[*:1])nn12
CCC[NH+](CCc1cnn(C)c1)CC1CCCCC1 C1CCC(CC1)[*:1] CCC[NH+](CCc1cnn(C)c1)C[*:1]
CCC[NH+](CCc1cnn(C)c1)CC1CCCCC1 CCC[*:1] Cn1cc(cn1)CC[NH+](CC1CCCCC1)[*:1]
CCC[NH+](CCc1cnn(C)c1)CC1CCCCC1 Cn1cc(cn1)[*:1] CCC[NH+](CC[*:1])CC1CCCCC1
C#CCN(CC(=O)[O-])c1ncccc1C(=O)OCC O=C([O-])[*:1] C#CCN(C[*:1])c1ncccc1C(=O)OCC
C#CCN(CC(=O)[O-])c1ncccc1C(=O)OCC O=C([O-])C[*:1] C#CCN(c1ncccc1C(=O)OCC)[*:1]
C#CCN(CC(=O)[O-])c1ncccc1C(=O)OCC CCOC(=O)[*:1] C#CCN(CC(=O)[O-])c1ncccc1[*:1]
C#CCN(CC(=O)[O-])c1ncccc1C(=O)OCC C#CC[*:1] CCOC(=O)c1cccnc1N(CC(=O)[O-])[*:1]
CCCN(CC#N)C(=O)c1cc2c(cc1O)OCO2 CCC[*:1] N#CCN(C(=O)c1cc2OCOc2cc1O)[*:1]
CCCN(CC#N)C(=O)c1cc2c(cc1O)OCO2 N#CC[*:1] CCCN(C(=O)c1cc2OCOc2cc1O)[*:1]
CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc21 CC(C)[*:1] CCCCN1C(=O)CCc2cc(ccc21)NS(=O)(=O)c1ccc(cc1)[*:1]
CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc21 CC(C)c1ccc(cc1)[*:1] CCCCN1C(=O)CCc2cc(ccc21)NS(=O)(=O)[*:1]
CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc21 CCCC[*:1] CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc21 CCC[*:1] CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2C[*:1]
CN1C[C@@H](NS(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1=O CN1C[C@@H](CC1=O)[*:1] O=S(=O)(N[*:1])c1cc2cc(Cl)ccc2s1
CC(C)NC(=O)c1cccc(NC(=O)CBr)c1 CC(C)[*:1] O=C(CBr)Nc1cccc(c1)C(=O)N[*:1]
CC(C)NC(=O)c1cccc(NC(=O)CBr)c1 O=C(CBr)N[*:1] CC(C)NC(=O)c1cccc(c1)[*:1]
COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1C COC[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)n1[C@H](C)[*:1]
COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1C COC[C@@H](C)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)n1[*:1]
CC(=O)Nc1ccc(O)c(NC(C)=O)c1 CC(=O)N[*:1] CC(=O)Nc1ccc(O)c(c1)[*:1]
CC(=O)Nc1ccc(O)c(NC(C)=O)c1 CC(=O)N[*:1] CC(=O)Nc1cc(ccc1O)[*:1]
Cc1ccnc(SCC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)n1 c1ccc(cc1)[*:1] Cc1ccnc(n1)SCC(=O)Nc1ccc2nc(NC(=O)[*:1])sc2c1
Cc1ccnc(SCC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)n1 Cc1ccnc(n1)S[*:1] O=C(C[*:1])Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1
Cc1ccnc(SCC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)n1 Cc1ccnc(n1)[*:1] O=C(CS[*:1])Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1
Cc1ccnc(SCC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)n1 Cc1ccnc(n1)SC[*:1] O=C(Nc1nc2ccc(cc2s1)NC(=O)[*:1])c1ccccc1
Cc1ccnc(SCC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)n1 O=C(N[*:1])c1ccccc1 Cc1ccnc(n1)SCC(=O)Nc1ccc2nc(sc2c1)[*:1]
CCCNC(=O)c1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)c1 CCCNC(=O)[*:1] O=C(COc1c(Cl)cc(Cl)cc1Br)Nc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)c1 CCC[*:1] O=C(COc1c(Cl)cc(Cl)cc1Br)Nc1cccc(c1)C(=O)N[*:1]
COC(=O)C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CC1 COC(=O)C[*:1] O=C(Nc1ccc(cc1Cl)C(F)(F)F)N[C@H](C1CC1)[*:1]
COC(=O)C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CC1 FC(F)(F)[*:1] COC(=O)C[C@H](NC(=O)Nc1ccc(cc1Cl)[*:1])C1CC1
COC(=O)C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CC1 COC(=O)[*:1] O=C(Nc1ccc(cc1Cl)C(F)(F)F)N[C@@H](C[*:1])C1CC1
COC(=O)C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CC1 C1CC1[*:1] COC(=O)C[C@H](NC(=O)Nc1ccc(cc1Cl)C(F)(F)F)[*:1]
O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)c1ccc(cc1)[*:1]
O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(-n2cccc2)cc1 c1ccc(cc1)[*:1] O=C(NCc1cnn(c1)C[*:1])c1ccc(cc1)-n1cccc1
O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(-n2cccc2)cc1 c1ccc(cc1)C[*:1] O=C(NCc1cnn(c1)[*:1])c1ccc(cc1)-n1cccc1
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 c1cc2OCCOc2cc1[*:1] C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(CNC(=O)c2scnc2C2CC2)ccc1F C1CC1[*:1] Cc1cc(ccc1F)CNC(=O)c1scnc1[*:1]
O=C([O-])c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CONC2=O)c1F O=C([O-])[*:1] O=C1NOC[C@H]1NS(=O)(=O)c1cc(Cl)cc(c1F)[*:1]
CCn1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cn1 Clc1cccc(c1)[*:1] CCn1cc(cn1)S(=O)(=O)N[C@@H]1C[C@@H]1[*:1]
CCn1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cn1 CCn1cc(cn1)[*:1] O=S(=O)(N[C@@H]1C[C@H]1c1cccc(Cl)c1)[*:1]
C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(Br)o1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(Br)o1)[*:1]
C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(Br)o1)c1ccccc1 Brc1ccc(o1)[*:1] C[C@@H](NC(=O)COC(=O)C=C[*:1])c1ccccc1
CCONC(=O)Cc1c(C)nn(CC(C)C)c1C CC(C)[*:1] CCONC(=O)Cc1c(C)nn(C[*:1])c1C
CCONC(=O)Cc1c(C)nn(CC(C)C)c1C CC(C)C[*:1] CCONC(=O)Cc1c(C)nn(c1C)[*:1]
CCONC(=O)Cc1c(C)nn(CC(C)C)c1C CCONC(=O)[*:1] Cc1nn(CC(C)C)c(C)c1C[*:1]
O=C(CCNC(=O)[C@@H]1SCCc2ccccc21)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(CCNC(=O)[C@@H]1SCCc2ccccc21)N[*:1]
O=C(CCNC(=O)[C@@H]1SCCc2ccccc21)NCc1cccnc1 c1cncc(c1)[*:1] O=C(CCNC(=O)[C@@H]1SCCc2ccccc21)NC[*:1]
CC(C)[C@](C)(O)CNC(=O)Cn1ccc2ccccc21 CC(C)[*:1] C[C@](O)(CNC(=O)Cn1ccc2ccccc21)[*:1]
CCOc1cccc(C2C(C(=O)OC)=CNC=C2C(=O)OC)c1 CCO[*:1] COC(=O)C1=CNC=C(C(=O)OC)C1c1cccc(c1)[*:1]
CCOc1cccc(C2C(C(=O)OC)=CNC=C2C(=O)OC)c1 COC(=O)[*:1] CCOc1cccc(c1)C1C(=CNC=C1[*:1])C(=O)OC
Cc1ccc(NC(=O)C[C@H](C)NC(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CC(=O)N[*:1])NC(=O)c1ccccc1
Cc1ccc(NC(=O)C[C@H](C)NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C[C@H](C)NC(=O)[*:1]
Cc1cc(=O)oc2cc(OCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)ccc12 c1coc(c1)[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)N1N=C(C[C@H]1[*:1])c1ccc(Cl)cc1
Cc1cc(=O)oc2cc(OCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)ccc12 Clc1ccc(cc1)[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)N1N=C(C[C@@H]1c1ccco1)[*:1]
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 Clc1ccc(cc1)[*:1] COC(=O)[C@@H](N1CCN(CC1)C(=O)[C@]1(C)CC1(Cl)Cl)[*:1]
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 COC(=O)[*:1] C[C@]1(CC1(Cl)Cl)C(=O)N1CCN(CC1)[C@H](c1ccc(Cl)cc1)[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1C[C@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1nnc(s1)C(F)(F)F)[C@@H]1C[C@@H]1[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1C[C@H]1[N+](=O)[O-] FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])[C@@H]1C[C@H]1[N+](=O)[O-]
Cc1noc(C)c1[C@H](C)CN[C@@H]1CCOc2ccc(Br)cc21 Cc1noc(C)c1[*:1] C[C@H](CN[C@@H]1CCOc2ccc(Br)cc21)[*:1]
Cc1cc(CN[C@@H](C[NH+](C)C)C(C)C)ccc1Br CC(C)[*:1] Cc1cc(ccc1Br)CN[C@@H](C[NH+](C)C)[*:1]
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1cccnc1Cl c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)Nc1cccnc1Cl)C(C)(C)[*:1]
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] Cc1nc(sc1C(=O)N[*:1])C(C)(C)c1ccccc1
CCSc1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)s1 CCS[*:1] Cc1cc(C)c(NC(=O)CSc2nnc(s2)[*:1])c(C)c1
CCOc1ccc(CN2CCN(C(=O)c3cnn(C)c3)CC2)cc1 CCO[*:1] Cn1cc(cn1)C(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CCOc1ccc(CN2CCN(C(=O)c3cnn(C)c3)CC2)cc1 Cn1cc(cn1)[*:1] CCOc1ccc(cc1)CN1CCN(CC1)C(=O)[*:1]
CC(C)(CNC(=O)NC1(c2cccc(Cl)c2)CC1)NS(C)(=O)=O CS(=O)(=O)N[*:1] CC(C)(CNC(=O)NC1(CC1)c1cccc(Cl)c1)[*:1]
CC(C)(CNC(=O)NC1(c2cccc(Cl)c2)CC1)NS(C)(=O)=O Clc1cccc(c1)[*:1] CC(C)(CNC(=O)NC1(CC1)[*:1])NS(C)(=O)=O
COC(=O)c1cccc(NS(=O)(=O)N2CCC[C@H](C)C2)c1 COC(=O)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)Nc1cccc(c1)[*:1]
COC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 COC(=O)C[*:1] O=C1/C(=C\c2cccc(Br)c2)Sc2ccccc2N1[*:1]
COC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 Brc1cccc(c1)[*:1] COC(=O)CN1C(=O)C(=C[*:1])Sc2ccccc21
COC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 COC(=O)[*:1] O=C1/C(=C\c2cccc(Br)c2)Sc2ccccc2N1C[*:1]
Clc1ccc(-c2nnn(Cc3cccnc3)n2)cc1 c1cncc(c1)[*:1] Clc1ccc(cc1)-c1nnn(C[*:1])n1
C[C@@H](Cc1ccc2ccccc2n1)S[C@@H](C)[C@@H](C)O C[C@@H](O)[*:1] C[C@@H](Cc1ccc2ccccc2n1)S[C@@H](C)[*:1]
CC[C@@H](CO)NC(=O)C(=O)Nc1c(Br)c(C)nn1-c1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] CC[C@@H](CO)NC(=O)C(=O)Nc1c(Br)c(C)nn1[*:1]
NC(=O)[C@H]1COCCN1C[C@@H](O)COc1cc(Cl)ccc1Cl NC(=O)[*:1] O[C@@H](COc1cc(Cl)ccc1Cl)CN1CCOC[C@@H]1[*:1]
CC[C@H](C)C(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 c1ncc(cn1)[*:1] CC[C@H](C)C(=O)NC[C@H]1Cc2cccc(c2O1)[*:1]
CC[C@H](C)C(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 CC[C@H](C)[*:1] O=C(NC[C@H]1Cc2cccc(-c3cncnc3)c2O1)[*:1]
CC[C@H](C)C(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 CC[C@H](C)C(=O)N[*:1] c1cc2C[C@H](C[*:1])Oc2c(c1)-c1cncnc1
C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1ccc(cc1)[*:1]
C/[NH+]=C(/NCCc1ccc(C)nc1)N(C)Cc1sccc1C Cc1ccsc1C[*:1] C/[NH+]=C(/NCCc1ccc(C)nc1)N(C)[*:1]
C/[NH+]=C(/NCCc1ccc(C)nc1)N(C)Cc1sccc1C Cc1ccsc1[*:1] C/[NH+]=C(/NCCc1ccc(C)nc1)N(C)C[*:1]
C/[NH+]=C(/NCCc1ccc(C)nc1)N(C)Cc1sccc1C Cc1ccc(cn1)[*:1] C/[NH+]=C(/NCC[*:1])N(C)Cc1sccc1C
CCCCCc1c2c(nc3[nH]cc(C#N)c13)CC(C)(C)CC2=O CCCC[*:1] CC1(C)CC(=O)c2c(C1)nc1[nH]cc(C#N)c1c2C[*:1]
CCCCCc1c2c(nc3[nH]cc(C#N)c13)CC(C)(C)CC2=O CCC[*:1] CC1(C)CC(=O)c2c(C1)nc1[nH]cc(C#N)c1c2CC[*:1]
CCCCCc1c2c(nc3[nH]cc(C#N)c13)CC(C)(C)CC2=O CCCCC[*:1] CC1(C)CC(=O)c2c(C1)nc1[nH]cc(C#N)c1c2[*:1]
COCc1cc(CNC(=O)c2ncccc2OC(C)C)ccc1F CC(C)O[*:1] COCc1cc(ccc1F)CNC(=O)c1ncccc1[*:1]
COCc1cc(CNC(=O)c2ncccc2OC(C)C)ccc1F COC[*:1] CC(C)Oc1cccnc1C(=O)NCc1ccc(F)c(c1)[*:1]
COCc1cc(CNC(=O)c2ncccc2OC(C)C)ccc1F CC(C)[*:1] COCc1cc(ccc1F)CNC(=O)c1ncccc1O[*:1]
COc1cc(C[NH3+])cc(Cl)c1OC1CCCC1 C1CCC(C1)[*:1] COc1cc(cc(Cl)c1O[*:1])C[NH3+]
CC(C)CS(=O)(=O)NCCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O CC(C)C[*:1] O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCCNS(=O)(=O)[*:1]
CC(C)CS(=O)(=O)NCCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O CC(C)[*:1] O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCCNS(=O)(=O)C[*:1]
CC[C@]1(C(C)C)NC(=O)N(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1=O CC(C)[*:1] CC[C@@]1(NC(=O)N(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1=O)[*:1]
Cc1cc([C@@H](C)[NH2+]CCCC(=O)NC2CC2)c(C)s1 C1CC1[*:1] Cc1cc(c(C)s1)[C@@H](C)[NH2+]CCCC(=O)N[*:1]
Cc1cc([C@@H](C)[NH2+]CCCC(=O)NC2CC2)c(C)s1 O=C(NC1CC1)[*:1] Cc1cc(c(C)s1)[C@@H](C)[NH2+]CCC[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCN(c3cccc(Cl)c3)CC1)n2CCCc1ccccc1 Clc1cccc(c1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCN(CC1)[*:1])n2CCCc1ccccc1
Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCN(c3cccc(Cl)c3)CC1)n2CCCc1ccccc1 c1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCN(CC1)c1cccc(Cl)c1)n2CC[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCN(c3cccc(Cl)c3)CC1)n2CCCc1ccccc1 c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCN(CC1)c1cccc(Cl)c1)n2CCC[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCN(c3cccc(Cl)c3)CC1)n2CCCc1ccccc1 c1ccc(cc1)CCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCN(CC1)c1cccc(Cl)c1)n2[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCN(c3cccc(Cl)c3)CC1)n2CCCc1ccccc1 c1ccc(cc1)CC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCN(CC1)c1cccc(Cl)c1)n2C[*:1]
COc1ccc(OC)c(S(=O)(=O)NCC#CCOc2ccc(C)nc2)c1 Cc1ccc(cn1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)NCC#CCO[*:1]
COc1ccc(OC)c(S(=O)(=O)NCC#CCOc2ccc(C)nc2)c1 Cc1ccc(cn1)O[*:1] COc1ccc(OC)c(c1)S(=O)(=O)NCC#CC[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(F)cc1OC(F)F FC(F)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(F)cc1O[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(F)cc1OC(F)F FC(F)O[*:1] CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(F)cc1[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(F)cc1OC(F)F CNC(=O)[*:1] C[C@H](CN(C)C(=O)Nc1ccc(F)cc1OC(F)F)[*:1]
O=C(N/N=C/c1ccncc1)[C@@H]1C=C(c2ccc3ccccc3c2)N=N1 c1cc(ccn1)[*:1] O=C(NN=C[*:1])[C@@H]1C=C(N=N1)c1ccc2ccccc2c1
Cc1c(C2CC2)n[nH]c1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2 C1CC1[*:1] Cc1c(n[nH]c1NC(=O)c1nn(-c2ccccc2F)c2CCCc12)[*:1]
Cc1c(C2CC2)n[nH]c1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2 Fc1ccccc1[*:1] Cc1c(n[nH]c1NC(=O)c1nn(c2CCCc12)[*:1])C1CC1
O=C(Nc1ccccc1O)c1ccc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1O)c1ccc(o1)[*:1]
O=C(Nc1ccccc1O)c1ccc(-c2ccc(F)cc2)o1 Oc1ccccc1[*:1] O=C(N[*:1])c1ccc(o1)-c1ccc(F)cc1
Cc1cc(NC(=O)c2cc(Cl)c[nH]2)n(Cc2ccccn2)n1 Clc1c[nH]c(c1)[*:1] Cc1cc(NC(=O)[*:1])n(Cc2ccccn2)n1
Cc1cc(NC(=O)c2cc(Cl)c[nH]2)n(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc(NC(=O)c2cc(Cl)c[nH]2)n(n1)[*:1]
Cc1cc(NC(=O)c2cc(Cl)c[nH]2)n(Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(NC(=O)c2cc(Cl)c[nH]2)n(C[*:1])n1
Cc1ccc(CN(C)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)s1 Cc1ccc(s1)[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)C(=O)N1CCCCC1
Cc1ccc(CN(C)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)s1 Cc1ccc(C[*:1])s1 CN(C(=O)Nc1cccc(c1)C(=O)N1CCCCC1)[*:1]
Cc1ccc(CN(C)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)s1 O=C(N1CCCCC1)[*:1] Cc1ccc(CN(C)C(=O)Nc2cccc(c2)[*:1])s1
COC[C@@H]1O[C@@H](O)[C@@H](OC)[C@@H](OC)[C@@H]1OC COC[*:1] CO[C@H]1[C@@H](OC)[C@H](OC)[C@@H](O[C@H]1O)[*:1]
c1ccc(CN2CCO[C@H]3CN(C4CCCC4)C[C@@H]32)cc1 c1ccc(cc1)[*:1] C1CCC(C1)N1C[C@@H]2OCCN(C[*:1])[C@H]2C1
c1ccc(CN2CCO[C@H]3CN(C4CCCC4)C[C@@H]32)cc1 C1CCC(C1)[*:1] c1ccc(cc1)CN1CCO[C@H]2CN(C[C@@H]21)[*:1]
c1ccc(CN2CCO[C@H]3CN(C4CCCC4)C[C@@H]32)cc1 c1ccc(cc1)C[*:1] C1CCC(C1)N1C[C@@H]2OCCN([C@H]2C1)[*:1]
COc1ccc(-c2cc(C(=O)NCc3nc(C)cc(C)n3)[nH]n2)cc1 Cc1cc(C)nc(n1)[*:1] COc1ccc(cc1)-c1cc([nH]n1)C(=O)NC[*:1]
COc1ccc(-c2cc(C(=O)NCc3nc(C)cc(C)n3)[nH]n2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)nc(CNC(=O)c2cc(n[nH]2)[*:1])n1
CC1=CC(C)=NC(=O)[C@@H]1CNC(=O)Cc1csc(-c2cccs2)n1 c1csc(c1)[*:1] CC1=CC(C)=NC(=O)[C@@H]1CNC(=O)Cc1csc(n1)[*:1]
COC(=O)c1cc(CN2CCNC(=O)[C@@H]2C(C)C)c[nH]1 COC(=O)[*:1] CC(C)[C@H]1C(=O)NCCN1Cc1c[nH]c(c1)[*:1]
COC(=O)c1cc(CN2CCNC(=O)[C@@H]2C(C)C)c[nH]1 CC(C)[*:1] COC(=O)c1cc(c[nH]1)CN1CCNC(=O)[C@H]1[*:1]
CC(=O)c1c[nH]c(C(=O)NCc2csc3ccccc23)c1 CC(=O)[*:1] O=C(NCc1csc2ccccc12)c1cc(c[nH]1)[*:1]
CCOc1ccccc1NC(=O)[C@@H]1C=C(c2ccccn2)N=N1 c1ccc(nc1)[*:1] CCOc1ccccc1NC(=O)[C@@H]1C=C(N=N1)[*:1]
CCOc1ccccc1NC(=O)[C@@H]1C=C(c2ccccn2)N=N1 CCO[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1C=C(N=N1)c1ccccn1
C[C@H](NC(=O)NC[C@@H](C)Nc1ccccc1)c1ccc(-n2cccn2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NC[C@@H](C)N[*:1])c1ccc(cc1)-n1cccn1
C[C@H](NC(=O)NC[C@@H](C)Nc1ccccc1)c1ccc(-n2cccn2)cc1 c1ccc(cc1)N[*:1] C[C@H](NC(=O)NC[C@@H](C)[*:1])c1ccc(cc1)-n1cccn1
C[C@H](NC(=O)NC[C@@H](C)Nc1ccccc1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@H](NC(=O)NC[C@@H](C)Nc1ccccc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NC[C@@H](C)Nc1ccccc1)c1ccc(-n2cccn2)cc1 C[C@@H](Nc1ccccc1)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(cc1)-n1cccn1
C[C@@H](CCc1ccccc1)NC(=O)c1sccc1-n1cccc1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)c1sccc1-n1cccc1
C[C@@H](CCc1ccccc1)NC(=O)c1sccc1-n1cccc1 c1ccn(c1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)c1sccc1[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1sccc1-n1cccc1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)c1sccc1-n1cccc1
CS(=O)(=O)c1ccc(N2CCCC2)cc1N C1CCN(C1)[*:1] CS(=O)(=O)c1ccc(cc1N)[*:1]
CS(=O)(=O)c1ccc(N2CCCC2)cc1N CS(=O)(=O)[*:1] Nc1cc(ccc1[*:1])N1CCCC1
C[C@@H]1O[C@H](C)[C@H]([C@H]([NH3+])[C@@H](C)c2ccccn2)[C@@H]1C c1ccc(nc1)[*:1] C[C@@H]1O[C@H](C)[C@@H]([C@@H]1C)[C@H]([NH3+])[C@@H](C)[*:1]
CC(C)CCNS(=O)(=O)Cc1cccc(N)c1 CC(C)CC[*:1] Nc1cccc(c1)CS(=O)(=O)N[*:1]
CC(C)CCNS(=O)(=O)Cc1cccc(N)c1 CC(C)C[*:1] Nc1cccc(c1)CS(=O)(=O)NC[*:1]
CC(C)CCNS(=O)(=O)Cc1cccc(N)c1 CC(C)[*:1] Nc1cccc(c1)CS(=O)(=O)NCC[*:1]
O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[*:1])N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O
O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O O=C1CSC(=O)N1[*:1] O=C(Cc1ccc(cc1)-c1ccccc1)N[C@@H]1CCCC[C@H]1[*:1]
CCOc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CCOC[C@H]1C1CC1
CCOc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)cc1C C1CC1[*:1] CCOc1ccc(cc1C)NC(=O)N1CCOC[C@@H]1[*:1]
O=C(OC[C@@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(OC[C@@H]1CCCO1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
O=C(OC[C@@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 C1CO[C@@H](C1)C[*:1] O=C(O[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
O=C(OC[C@@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 C1CO[C@@H](C1)[*:1] O=C(OC[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCC(C)(C)c1ccncc1 C[S@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)NCC(C)(C)c1ccncc1
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)NCC(C)(C)[*:1]
CC(C)c1ccccc1NC(=O)C(=O)Cc1nc2ccccc2s1 CC(C)[*:1] O=C(Cc1nc2ccccc2s1)C(=O)Nc1ccccc1[*:1]
Cc1ccc(-n2c(SCC(=O)NCc3nc4ccccc4n3C)nc3c(=O)[nH]cnc32)cc1 Cn1c(C[*:1])nc2ccccc21 Cc1ccc(cc1)-n1c(nc2c(=O)[nH]cnc21)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)NCc3nc4ccccc4n3C)nc3c(=O)[nH]cnc32)cc1 Cn1c(nc2ccccc21)[*:1] Cc1ccc(cc1)-n1c(nc2c(=O)[nH]cnc21)SCC(=O)NC[*:1]
Cc1ccc(-n2c(SCC(=O)NCc3nc4ccccc4n3C)nc3c(=O)[nH]cnc32)cc1 Cc1ccc(cc1)[*:1] Cn1c(CNC(=O)CSc2nc3c(=O)[nH]cnc3n2[*:1])nc2ccccc21
Cc1nccn1-c1cc(N2CCC(C(=O)N3CCN(c4ccc(O)cc4)CC3)CC2)ncn1 Oc1ccc(cc1)[*:1] Cc1nccn1-c1cc(ncn1)N1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
Cc1nccn1-c1cc(N2CCC(C(=O)N3CCN(c4ccc(O)cc4)CC3)CC2)ncn1 Cc1nccn1[*:1] O=C(C1CCN(CC1)c1cc(ncn1)[*:1])N1CCN(CC1)c1ccc(O)cc1
CCNS(=O)(=O)[C@H]1CCN(C(=O)/C=C/c2cccc(OC)c2)C1 CCNS(=O)(=O)[*:1] COc1cccc(/C=C/C(=O)N2CC[C@@H](C2)[*:1])c1
CSc1ccc(O[C@@H](C)C(=O)Nc2c(C)cnn2-c2ccccc2)cc1 CSc1ccc(cc1)[*:1] Cc1cnn(-c2ccccc2)c1NC(=O)[C@H](C)O[*:1]
CSc1ccc(O[C@@H](C)C(=O)Nc2c(C)cnn2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)O[C@@H](C)C(=O)Nc1c(C)cnn1[*:1]
CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)ccc1C CNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H]1CC[NH2+][C@@H]1C
O=C(NCCCn1cc[nH+]c1)N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCCCn1cc[nH+]c1)N1CC[C@@](O)(C1)[*:1]
Cc1ccccc1C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1F Cc1ccccc1[*:1] [NH3+][C@@H](C[*:1])c1cc(ccc1F)C(F)(F)F
Cc1ccccc1C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] Cc1ccccc1C[C@H]([NH3+])c1cc(ccc1F)[*:1]
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1 Cc1ccc(cc1)[*:1] O=C(NC(=S)Nc1ccc2oc(nc2c1)[*:1])c1ccccc1[N+](=O)[O-]
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1nc2cc(ccc2o1)NC(=S)NC(=O)c1ccccc1[*:1]
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1 O=[N+]([O-])c1ccccc1[*:1] Cc1ccc(cc1)-c1nc2cc(ccc2o1)NC(=S)NC(=O)[*:1]
COc1ccc(NC(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
COc1ccc(NC(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)N[*:1]
O=C(CSc1ncc(C(F)(F)F)cc1Cl)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1ncc(cc1Cl)C(F)(F)F)N[*:1]
O=C(CSc1ncc(C(F)(F)F)cc1Cl)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ncc(cc1Cl)C(F)(F)F)NC[*:1]
O=C(CSc1ncc(C(F)(F)F)cc1Cl)NCc1ccccc1 FC(F)(F)[*:1] O=C(CSc1ncc(cc1Cl)[*:1])NCc1ccccc1
O=c1c(OCC[NH+]2CCCCC2)c(-c2ccccc2)oc2ccccc12 c1ccc(cc1)[*:1] O=c1c(OCC[NH+]2CCCCC2)c(oc2ccccc12)[*:1]
C[C@@H](CCC1CCCC1)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 C1CCC(C1)CC[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@@H](CCC1CCCC1)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 C1CCC(C1)C[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H](C)c1ccc(cc1)S(C)(=O)=O
C[C@@H](CCC1CCCC1)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 C1CCC(C1)[*:1] C[C@@H](CC[*:1])NC(=O)N[C@@H](C)c1ccc(cc1)S(C)(=O)=O
C[C@@H](CCC1CCCC1)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H](CCC1CCCC1)NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1noc([C@H](OC(=O)c2cccn2C)c2ccccc2)n1 Cn1cccc1[*:1] Cc1noc(n1)[C@H](OC(=O)[*:1])c1ccccc1
Cc1noc([C@H](OC(=O)c2cccn2C)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@H](OC(=O)c1cccn1C)[*:1]
Cc1noc([C@H](OC(=O)c2cccn2C)c2ccccc2)n1 Cc1noc(n1)[*:1] Cn1cccc1C(=O)O[C@H](c1ccccc1)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)C1=COCCO1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccc(cc1Cl)[*:1])C1=COCCO1
Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccccc2N2CCOCC2)o1 Cc1nnc(o1)[*:1] c1ccc2CN(Cc3ccccc3N3CCOCC3)[C@@H](Cc2c1)[*:1]
Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccccc2N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1nnc(o1)[C@@H]1Cc2ccccc2CN1Cc1ccccc1[*:1]
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cccc(OC)c3F)c2)n1 COc1cccc(c1F)[*:1] CCc1cc(=O)[nH]c(n1)-c1cccc(c1)NC(=O)[*:1]
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cccc(OC)c3F)c2)n1 CCc1cc(=O)[nH]c(n1)[*:1] COc1cccc(C(=O)Nc2cccc(c2)[*:1])c1F
CCN(C)c1cccc(NC(=O)Cn2nnc3ccccc32)c1 CCN(C)[*:1] O=C(Cn1nnc2ccccc21)Nc1cccc(c1)[*:1]
Cc1cc(N2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)[nH+]c2ccccc12 NC(=O)[*:1] Cc1cc([nH+]c2ccccc12)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
Cc1cc(N2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)[nH+]c2ccccc12 NC(=O)C[*:1] Cc1cc([nH+]c2ccccc12)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
CCOc1cc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)ccc1O CCO[*:1] CC(C)C(=O)N[C@@H](C)c1nnc2CCN(CCn21)Cc1ccc(O)c(c1)[*:1]
CCOc1cc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)ccc1O CC(C)[*:1] CCOc1cc(ccc1O)CN1CCc2nnc([C@H](C)NC(=O)[*:1])n2CC1
CCOc1cc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)ccc1O CC(C)C(=O)N[*:1] CCOc1cc(ccc1O)CN1CCc2nnc([C@H](C)[*:1])n2CC1
CC(C)CC1(CNC(=O)Nc2ncnn2C)CC1 CC(C)[*:1] Cn1ncnc1NC(=O)NCC1(CC1)C[*:1]
CC(C)CC1(CNC(=O)Nc2ncnn2C)CC1 Cn1ncnc1[*:1] CC(C)CC1(CC1)CNC(=O)N[*:1]
CC(C)CC1(CNC(=O)Nc2ncnn2C)CC1 CC(C)C[*:1] Cn1ncnc1NC(=O)NCC1(CC1)[*:1]
COc1cccc(-c2cc(C(=O)Nc3nc4c(s3)C(=O)CCC4)[nH]n2)c1 COc1cccc(c1)[*:1] O=C(Nc1nc2CCCC(=O)c2s1)c1cc(n[nH]1)[*:1]
C[NH2+][C@@H](c1ccncc1)[C@H]1CCc2cccnc21 c1cc(ccn1)[*:1] C[NH2+][C@@H]([C@H]1CCc2cccnc21)[*:1]
CCSC[C@@H](C)N(C)C(=O)N[C@H](c1ccccn1)C(C)C c1ccc(nc1)[*:1] CCSC[C@@H](C)N(C)C(=O)N[C@H](C(C)C)[*:1]
CCSC[C@@H](C)N(C)C(=O)N[C@H](c1ccccn1)C(C)C CCS[*:1] CC(C)[C@H](NC(=O)N(C)[C@H](C)C[*:1])c1ccccn1
CCSC[C@@H](C)N(C)C(=O)N[C@H](c1ccccn1)C(C)C CC(C)[*:1] CCSC[C@@H](C)N(C)C(=O)N[C@H](c1ccccn1)[*:1]
CCSC[C@@H](C)N(C)C(=O)N[C@H](c1ccccn1)C(C)C CCSC[*:1] CC(C)[C@H](NC(=O)N(C)[C@H](C)[*:1])c1ccccn1
CC[C@@H](C)N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 CC[C@@H](C)[*:1] CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])S(C)(=O)=O)[*:1]
CC[C@@H](C)N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](C)N(C)C(=O)c1ccc(c(c1)[*:1])S(C)(=O)=O
CC[C@@H](C)N(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 CS(=O)(=O)[*:1] CC[C@@H](C)N(C)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C=CCn1c(SCC(=O)NC)nc2scc(-c3ccccc3)c2c1=O CNC(=O)[*:1] C=CCn1c(nc2scc(-c3ccccc3)c2c1=O)SC[*:1]
C=CCn1c(SCC(=O)NC)nc2scc(-c3ccccc3)c2c1=O C=CC[*:1] CNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1[*:1]
C=CCn1c(SCC(=O)NC)nc2scc(-c3ccccc3)c2c1=O CNC(=O)C[*:1] C=CCn1c(nc2scc(-c3ccccc3)c2c1=O)S[*:1]
C=CCn1c(SCC(=O)NC)nc2scc(-c3ccccc3)c2c1=O c1ccc(cc1)[*:1] C=CCn1c(nc2scc(c2c1=O)[*:1])SCC(=O)NC
C=CCn1c(SCC(=O)NC)nc2scc(-c3ccccc3)c2c1=O CNC(=O)CS[*:1] C=CCn1c(nc2scc(-c3ccccc3)c2c1=O)[*:1]
CNS(=O)(=O)c1cccc(CNC(=O)c2cc(C(C)(C)C)n[nH]2)c1 CC(C)(C)[*:1] CNS(=O)(=O)c1cccc(c1)CNC(=O)c1cc(n[nH]1)[*:1]
CNS(=O)(=O)c1cccc(CNC(=O)c2cc(C(C)(C)C)n[nH]2)c1 CNS(=O)(=O)[*:1] CC(C)(C)c1cc([nH]n1)C(=O)NCc1cccc(c1)[*:1]
CCc1ccc(NC(=O)NCC(=O)Nc2ccc(OC)cc2)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)CNC(=O)N[*:1]
CCc1ccc(NC(=O)NCC(=O)Nc2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)NCC(=O)N[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](C(=O)C(F)(F)F)C1 CS(=O)(=O)[*:1] O=C([C@H]1CCC[C@H](C1)[*:1])C(F)(F)F
CS(=O)(=O)[C@@H]1CCC[C@H](C(=O)C(F)(F)F)C1 FC(F)(F)[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)C(=O)[*:1]
CS(=O)(=O)c1ccccc1NC(=O)NCc1ccccc1OC1CCCC1 C1CCC(C1)[*:1] CS(=O)(=O)c1ccccc1NC(=O)NCc1ccccc1O[*:1]
CS(=O)(=O)c1ccccc1NC(=O)NCc1ccccc1OC1CCCC1 C1CCC(C1)O[*:1] CS(=O)(=O)c1ccccc1NC(=O)NCc1ccccc1[*:1]
CS(=O)(=O)c1ccccc1NC(=O)NCc1ccccc1OC1CCCC1 CS(=O)(=O)[*:1] O=C(NCc1ccccc1OC1CCCC1)Nc1ccccc1[*:1]
O=C(NC[C@H]1CCCO1)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 c1ccc(cc1)C[*:1] O=C(NC[C@H]1CCCO1)N1CCN(CC1)c1nc2ccccc2n(c1=O)[*:1]
O=C(NC[C@H]1CCCO1)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)N1CCN(CC1)c1nc2ccccc2n(C[*:1])c1=O
Cc1ccccc1C(C)(C)CNC(=O)CCCN1CCOC1=O Cc1ccccc1[*:1] CC(C)(CNC(=O)CCCN1CCOC1=O)[*:1]
Cc1ccccc1C(C)(C)CNC(=O)CCCN1CCOC1=O O=C1OCCN1[*:1] Cc1ccccc1C(C)(C)CNC(=O)CCC[*:1]
Cc1ccccc1C(C)(C)CNC(=O)CCCN1CCOC1=O O=C1OCCN1C[*:1] Cc1ccccc1C(C)(C)CNC(=O)CC[*:1]
O=C(NCCCO)[C@H]1C[C@H]2CCCC[C@H]2[NH2+]1 OCCC[*:1] O=C(N[*:1])[C@H]1C[C@H]2CCCC[C@H]2[NH2+]1
O=C(NCCCO)[C@H]1C[C@H]2CCCC[C@H]2[NH2+]1 OCC[*:1] O=C(NC[*:1])[C@H]1C[C@H]2CCCC[C@H]2[NH2+]1
CCNC(=O)[C@H]1C[NH2+]CCN1c1cccc(F)c1C(N)=O NC(=O)[*:1] CCNC(=O)[C@H]1C[NH2+]CCN1c1cccc(F)c1[*:1]
CCNC(=O)[C@H]1C[NH2+]CCN1c1cccc(F)c1C(N)=O CCNC(=O)[*:1] NC(=O)c1c(F)cccc1N1CC[NH2+]C[C@@H]1[*:1]
O=C1COc2ccc(-c3csc(-c4cccs4)n3)cc2N1 c1csc(c1)[*:1] O=C1COc2ccc(cc2N1)-c1csc(n1)[*:1]
CCn1/c(=N/C(=O)CCc2ccccc2)sc2cc(OC)c(OC)cc21 c1ccc(cc1)CC[*:1] CCn1/c(=N/C(=O)[*:1])sc2cc(OC)c(cc21)OC
CCn1/c(=N/C(=O)CCc2ccccc2)sc2cc(OC)c(OC)cc21 c1ccc(cc1)[*:1] CCn1/c(=N/C(=O)CC[*:1])sc2cc(OC)c(cc21)OC
CCn1/c(=N/C(=O)CCc2ccccc2)sc2cc(OC)c(OC)cc21 c1ccc(cc1)C[*:1] CCn1/c(=N/C(=O)C[*:1])sc2cc(OC)c(cc21)OC
Clc1nn(CN2CC[C@H](Oc3cccnc3)C2)c2ccccc12 c1cncc(c1)O[*:1] Clc1nn(CN2CC[C@H](C2)[*:1])c2ccccc12
Clc1nn(CN2CC[C@H](Oc3cccnc3)C2)c2ccccc12 c1cncc(c1)[*:1] Clc1nn(CN2CC[C@@H](C2)O[*:1])c2ccccc12
NC(=O)c1ccc(NC(=O)NCCC(=O)N2CCCC2)cc1Cl O=C(N1CCCC1)[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)NCC[*:1]
NC(=O)c1ccc(NC(=O)NCCC(=O)N2CCCC2)cc1Cl NC(=O)[*:1] O=C(NCCC(=O)N1CCCC1)Nc1ccc(c(Cl)c1)[*:1]
CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1CC c1ccc(cc1)[*:1] CC/N=C1/S[C@@H](CC(=O)N[*:1])C(=O)N1CC
C[NH+](C)C[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1 Clc1ccccc1C[*:1] C[NH+](C)C[C@H](NC(=O)c1ccc(=O)n(c1)[*:1])c1ccccc1
C[NH+](C)C[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)C[C@H](NC(=O)c1ccc(=O)n(c1)Cc1ccccc1Cl)[*:1]
C[NH+](C)C[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1 Clc1ccccc1[*:1] C[NH+](C)C[C@H](NC(=O)c1ccc(=O)n(c1)C[*:1])c1ccccc1
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C C#CCO[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1[*:1]
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C C#CC[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1O[*:1]
CN(C(=O)[C@@H]1C[C@@]12CCc1ccccc12)[C@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)[C@@H]1C[C@@]12CCc1ccccc12)[C@H]1CCC[C@H]1[*:1]
NC(=O)[C@@]1([NH3+])CCC[C@@H](OC2CCC2)C1 C1CC(C1)[*:1] NC(=O)[C@@]1([NH3+])CCC[C@H](C1)O[*:1]
NC(=O)[C@@]1([NH3+])CCC[C@@H](OC2CCC2)C1 C1CC(C1)O[*:1] NC(=O)[C@@]1([NH3+])CCC[C@@H](C1)[*:1]
NC(=O)[C@@]1([NH3+])CCC[C@@H](OC2CCC2)C1 NC(=O)[*:1] [NH3+][C@]1(CCC[C@H](C1)OC1CCC1)[*:1]
O=C(Nc1cn[nH]c1)N[C@@H]1C[C@@H]2CCCc3cccc1c32 c1n[nH]cc1[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)N[*:1]
CCOC(=O)[C@@]1(NC)CC[C@H](OCC(C)C)C1 CC(C)CO[*:1] CCOC(=O)[C@]1(CC[C@H](C1)[*:1])NC
CCOC(=O)[C@@]1(NC)CC[C@H](OCC(C)C)C1 CC(C)[*:1] CCOC(=O)[C@]1(CC[C@@H](C1)OC[*:1])NC
CCOC(=O)[C@@]1(NC)CC[C@H](OCC(C)C)C1 CC(C)C[*:1] CCOC(=O)[C@]1(CC[C@@H](C1)O[*:1])NC
CCOC(=O)[C@@]1(NC)CC[C@H](OCC(C)C)C1 CCOC(=O)[*:1] CN[C@]1(CC[C@@H](C1)OCC(C)C)[*:1]
COCCNc1cnc(C2CC[NH+](C(C)C)CC2)cn1 COC[*:1] CC(C)[NH+]1CCC(CC1)c1cnc(cn1)NC[*:1]
COCCNc1cnc(C2CC[NH+](C(C)C)CC2)cn1 COCCN[*:1] CC(C)[NH+]1CCC(CC1)c1cnc(cn1)[*:1]
COCCNc1cnc(C2CC[NH+](C(C)C)CC2)cn1 CC(C)[*:1] COCCNc1cnc(cn1)C1CC[NH+](CC1)[*:1]
COCCNc1cnc(C2CC[NH+](C(C)C)CC2)cn1 COCC[*:1] CC(C)[NH+]1CCC(CC1)c1cnc(cn1)N[*:1]
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2c(C)cccc2C)cc1 CCN(CC)S(=O)(=O)[*:1] Cc1cccc(C)c1C(=O)NCc1ccc(cc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2c(C)cccc2C)cc1 Cc1cccc(C)c1[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)CNC(=O)[*:1]
N#Cc1cccc(NNC(=O)N[C@H](c2nccs2)C2CC2)c1 C1CC1[*:1] N#Cc1cccc(c1)NNC(=O)N[C@H](c1nccs1)[*:1]
N#Cc1cccc(NNC(=O)N[C@H](c2nccs2)C2CC2)c1 c1csc(n1)[*:1] N#Cc1cccc(c1)NNC(=O)N[C@H](C1CC1)[*:1]
Cc1cccc(C(=O)NCC(=O)NNC(=S)Nc2cc(C)ccc2F)c1 Cc1ccc(F)c(c1)[*:1] Cc1cccc(c1)C(=O)NCC(=O)NNC(=S)N[*:1]
Cc1cccc(C(=O)NCC(=O)NNC(=S)Nc2cc(C)ccc2F)c1 Cc1cccc(c1)[*:1] Cc1ccc(F)c(c1)NC(=S)NNC(=O)CNC(=O)[*:1]
CCOC(=O)c1ccc(CN2CCO[C@H](C#N)C2)o1 CCOC(=O)[*:1] N#C[C@@H]1CN(CCO1)Cc1ccc(o1)[*:1]
CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] CC[NH+]1CCN(CC1)CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1[*:1]
Cc1nnsc1C(=O)N1CCC(CNS(=O)(=O)c2c(F)cccc2F)CC1 Fc1cccc(F)c1[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNS(=O)(=O)[*:1]
Cc1nnsc1C(=O)N1CCC(CNS(=O)(=O)c2c(F)cccc2F)CC1 Cc1nnsc1[*:1] O=C(N1CCC(CC1)CNS(=O)(=O)c1c(F)cccc1F)[*:1]
CN(CCOCC1CC1)c1ncccc1C[NH3+] C1CC1C[*:1] CN(CCO[*:1])c1ncccc1C[NH3+]
CN(CCOCC1CC1)c1ncccc1C[NH3+] C1CC1[*:1] CN(CCOC[*:1])c1ncccc1C[NH3+]
CN(CCOCC1CC1)c1ncccc1C[NH3+] C1CC1CO[*:1] CN(CC[*:1])c1ncccc1C[NH3+]
COC[C@@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccc(F)c(F)c1 c1cn(cn1)[*:1] COC[C@@H](N[C@H](C)c1ccc(cc1)[*:1])c1ccc(F)c(F)c1
COC[C@@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](N[C@H](C)c1ccc(cc1)-n1ccnc1)[*:1]
COC[C@@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccc(F)c(F)c1 COC[*:1] C[C@@H](N[C@@H](c1ccc(F)c(F)c1)[*:1])c1ccc(cc1)-n1ccnc1
COC(=O)[C@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1C COC(=O)[*:1] Cc1nc(C)c(s1)C(=O)N1C[C@@H](C)[C@H](C1)[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@H](C)Oc1ccccc1 COC(=O)[*:1] C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@H](C)O[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@H](C)Oc1ccccc1 c1ccc(cc1)O[*:1] COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@H](C)[*:1]
Cc1cc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)ccc1C(=O)N(C)C N#Cc1ccc(cc1)[*:1] Cc1cc(ccc1C(=O)N(C)C)N[C@H]1CCN(C1=O)[*:1]
Cc1cc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])N[C@H]1CCN(C1=O)c1ccc(C#N)cc1
CC(C)(C)OC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 CC(C)(C)[*:1] [NH3+][C@@H](Cc1ccc(cc1)C(=O)O[*:1])C(=O)[O-]
Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCn2c(nnc2-c2ccccc2)C1 Cc1ccccc1[*:1] O=C([C@@H]1C[C@H]1[*:1])N1CCn2c(C1)nnc2-c1ccccc1
Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCn2c(C1)nnc2[*:1]
O=C(/C=C/c1ccc(O)cc1)NC[C@@H]1CC[C@H](C(=O)[O-])O1 Oc1ccc(cc1)[*:1] O=C(C=C[*:1])NC[C@@H]1CC[C@@H](O1)C(=O)[O-]
O=C(/C=C/c1ccc(O)cc1)NC[C@@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] O=C(/C=C/c1ccc(O)cc1)NC[C@@H]1CC[C@H](O1)[*:1]
N#CCc1nc(-c2ccncc2)cs1 N#CC[*:1] c1cc(ccn1)-c1csc(n1)[*:1]
CC(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc(OC(C)C)c1 CC(C)O[*:1] CC(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc(c1)[*:1]
CC(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc(OC(C)C)c1 CC(C)[*:1] CC(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc(c1)O[*:1]
CC(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc(OC(C)C)c1 CC(=O)[*:1] CC(C)Oc1cccc(c1)[C@H]1C(=C([O-])C(=O)N1CC[NH+]1CCCC1)[*:1]
Cc1csc([C@H]2CN(Cc3ccccc3OCC3CC3)CCO2)n1 C1CC1C[*:1] Cc1csc(n1)[C@H]1CN(CCO1)Cc1ccccc1O[*:1]
Cc1csc([C@H]2CN(Cc3ccccc3OCC3CC3)CCO2)n1 Cc1csc(n1)[*:1] c1ccc(OCC2CC2)c(c1)CN1CCO[C@H](C1)[*:1]
Cc1csc([C@H]2CN(Cc3ccccc3OCC3CC3)CCO2)n1 C1CC1[*:1] Cc1csc(n1)[C@H]1CN(CCO1)Cc1ccccc1OC[*:1]
Cc1csc([C@H]2CN(Cc3ccccc3OCC3CC3)CCO2)n1 C1CC1CO[*:1] Cc1csc(n1)[C@H]1CN(CCO1)Cc1ccccc1[*:1]
Cc1noc(C)c1C(=O)OCC(=O)NCC(C)C CC(C)[*:1] Cc1noc(C)c1C(=O)OCC(=O)NC[*:1]
Cc1noc(C)c1C(=O)OCC(=O)NCC(C)C CC(C)C[*:1] Cc1noc(C)c1C(=O)OCC(=O)N[*:1]
CN(C)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)NCCO OCC[*:1] CN(C)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[*:1]
CN(C)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)NCCO CN(C)C(=O)[*:1] O=C(NCCO)[C@H]1CC=CC[C@H]1[*:1]
Cc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=S)NC(=O)c2ccccc2[*:1])c(C)c1
CCc1ccc([C@@H](COC)NC(=O)C(=O)Nc2cccc(F)c2C)o1 COC[*:1] CCc1ccc(o1)[C@@H](NC(=O)C(=O)Nc1cccc(F)c1C)[*:1]
CCc1ccc([C@@H](COC)NC(=O)C(=O)Nc2cccc(F)c2C)o1 CCc1ccc(o1)[*:1] COC[C@@H](NC(=O)C(=O)Nc1cccc(F)c1C)[*:1]
CCc1ccc([C@@H](COC)NC(=O)C(=O)Nc2cccc(F)c2C)o1 Cc1c(F)cccc1[*:1] CCc1ccc(o1)[C@@H](COC)NC(=O)C(=O)N[*:1]
C[C@H]1CN(Cc2ccnn2C)C[C@H](c2ccsc2)O1 c1cc(cs1)[*:1] C[C@H]1CN(Cc2ccnn2C)C[C@H](O1)[*:1]
C[C@H]1CN(Cc2ccnn2C)C[C@H](c2ccsc2)O1 Cn1nccc1[*:1] C[C@H]1CN(C[C@@H](O1)c1ccsc1)C[*:1]
Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 Cc1ccc(Cl)c(c1)[*:1] C[C@H](O[*:1])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
COc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[nH]3)cc(C(F)(F)F)c2)cc1Br O=c1[nH]nc([nH]1)[*:1] COc1ccc(cc1Br)S(=O)(=O)[N-]c1cc(cc(c1)[*:1])C(F)(F)F
COc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[nH]3)cc(C(F)(F)F)c2)cc1Br COc1ccc(cc1Br)[*:1] O=c1[nH]nc([nH]1)-c1cc(cc(c1)C(F)(F)F)[N-]S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[nH]3)cc(C(F)(F)F)c2)cc1Br FC(F)(F)[*:1] COc1ccc(cc1Br)S(=O)(=O)[N-]c1cc(cc(c1)[*:1])-c1n[nH]c(=O)[nH]1
C[C@@H](CC(=O)N[C@@H](C)c1cccc(Cl)c1)NC(=O)c1ccccc1 Clc1cccc(c1)[*:1] C[C@@H](CC(=O)N[C@@H](C)[*:1])NC(=O)c1ccccc1
C[C@@H](CC(=O)N[C@@H](C)c1cccc(Cl)c1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)N[C@@H](C)c1cccc(Cl)c1)NC(=O)[*:1]
CN(C[C@H]1CCCN(C(=O)/C=C/c2cc(Br)ccc2F)C1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(C[C@H]1CCCN(C1)C(=O)/C=C/c1cc(Br)ccc1F)C(=O)O[*:1]
CN(C[C@H]1CCCN(C(=O)/C=C/c2cc(Br)ccc2F)C1)C(=O)OC(C)(C)C CN(C(=O)OC(C)(C)C)[*:1] O=C(/C=C/c1cc(Br)ccc1F)N1CCC[C@@H](C1)C[*:1]
CN(C[C@H]1CCCN(C(=O)/C=C/c2cc(Br)ccc2F)C1)C(=O)OC(C)(C)C Fc1ccc(Br)cc1[*:1] CN(C[C@H]1CCCN(C1)C(=O)C=C[*:1])C(=O)OC(C)(C)C
CCC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(-c3nnnn3C)c2)CC1=O CCC[*:1] C[C@@H](N1C[C@@H](CC1=O)C(=O)Nc1cccc(c1)-c1nnnn1C)[*:1]
CCC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(-c3nnnn3C)c2)CC1=O CCC[C@@H](C)[*:1] Cn1nnnc1-c1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(-c3nnnn3C)c2)CC1=O Cn1nnnc1[*:1] CCC[C@@H](C)N1C[C@@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
Brc1cccc([C@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)c1 Brc1cccc(c1)[*:1] Ic1ccc(cc1)C1C[C@@H](n2ncnc2N=1)[*:1]
Brc1cccc([C@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)c1 Ic1ccc(cc1)[*:1] Brc1cccc(c1)[C@H]1CC(=Nc2ncnn21)[*:1]
CCCCn1cc[nH+]c1C1CCN(C(=O)C[C@@H]2CN(C(C)C)CCO2)CC1 CCCC[*:1] CC(C)N1CCO[C@H](CC(=O)N2CCC(CC2)c2[nH+]ccn2[*:1])C1
CCCCn1cc[nH+]c1C1CCN(C(=O)C[C@@H]2CN(C(C)C)CCO2)CC1 CC(C)N1CCO[C@@H](C1)[*:1] CCCCn1cc[nH+]c1C1CCN(CC1)C(=O)C[*:1]
CCCCn1cc[nH+]c1C1CCN(C(=O)C[C@@H]2CN(C(C)C)CCO2)CC1 CCC[*:1] CC(C)N1CCO[C@H](CC(=O)N2CCC(CC2)c2[nH+]ccn2C[*:1])C1
CCCCn1cc[nH+]c1C1CCN(C(=O)C[C@@H]2CN(C(C)C)CCO2)CC1 CC(C)[*:1] CCCCn1cc[nH+]c1C1CCN(CC1)C(=O)C[C@@H]1CN(CCO1)[*:1]
CC(=O)c1cnc2c(-c3ccc(C)cc3)c(C)nn2c1C Cc1ccc(cc1)[*:1] CC(=O)c1cnc2c(c(C)nn2c1C)[*:1]
CC(=O)c1cnc2c(-c3ccc(C)cc3)c(C)nn2c1C CC(=O)[*:1] Cc1ccc(cc1)-c1c(C)nn2c(C)c(cnc12)[*:1]
CCCc1cc([C@@H]2CCCN2C(=O)NCc2cccc(OC)c2)no1 CCCc1cc(no1)[*:1] COc1cccc(c1)CNC(=O)N1CCC[C@H]1[*:1]
CCCc1cc([C@@H]2CCCN2C(=O)NCc2cccc(OC)c2)no1 COc1cccc(c1)[*:1] CCCc1cc(no1)[C@@H]1CCCN1C(=O)NC[*:1]
CCCc1cc([C@@H]2CCCN2C(=O)NCc2cccc(OC)c2)no1 CCC[*:1] COc1cccc(c1)CNC(=O)N1CCC[C@H]1c1cc(on1)[*:1]
C[C@H](CC[NH2+][C@H](C)C1(C)CC1)[S@](C)=O C[S@](=O)[*:1] C[C@@H]([NH2+]CC[C@@H](C)[*:1])C1(C)CC1
C[C@H](CC[NH2+][C@H](C)C1(C)CC1)[S@](C)=O CC1(CC1)[*:1] C[C@H](CC[NH2+][C@H](C)[*:1])[S@](C)=O
N#Cc1cc(N2CC[C@H](CN3CCOCC3)C2)c2ccccc2n1 C1CN(CCO1)C[*:1] N#Cc1cc(c2ccccc2n1)N1CC[C@H](C1)[*:1]
N#Cc1cc(N2CC[C@H](CN3CCOCC3)C2)c2ccccc2n1 C1CN(CCO1)[*:1] N#Cc1cc(c2ccccc2n1)N1CC[C@@H](C1)C[*:1]
Cc1cc(C(=O)N2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)c(C)o1 C1CC1[*:1] Cc1cc(C(=O)N2CCN(C)[C@]3(CCC(=O)N(CC3)C[*:1])C2)c(C)o1
Cc1cc(C(=O)N2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)c(C)o1 Cc1cc(c(C)o1)[*:1] CN1CCN(C[C@@]12CCC(=O)N(CC2)CC1CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)c(C)o1 C1CC1C[*:1] Cc1cc(C(=O)N2CCN(C)[C@]3(CCC(=O)N(CC3)[*:1])C2)c(C)o1
O=C(c1ccno1)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1 c1cc(on1)[*:1] O=C(N1CCN(CC1)c1nc2ccc(cc2s1)OC(F)(F)F)[*:1]
O=C(c1ccno1)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1 FC(F)(F)[*:1] O=C(c1ccno1)N1CCN(CC1)c1nc2ccc(cc2s1)O[*:1]
O=C(c1ccno1)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1 FC(F)(F)O[*:1] O=C(c1ccno1)N1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
Nc1ncnc(NNc2nc3ccccc3s2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ncnc(NNc2nc3ccccc3s2)c1[*:1]
CCN1C(=O)[C@](C)(C(=O)NCC(C)C)Sc2ccccc21 CC(C)C[*:1] CCN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)N[*:1]
CCN1C(=O)[C@](C)(C(=O)NCC(C)C)Sc2ccccc21 CC(C)CNC(=O)[*:1] CCN1C(=O)[C@](C)(Sc2ccccc21)[*:1]
CCN1C(=O)[C@](C)(C(=O)NCC(C)C)Sc2ccccc21 CC(C)[*:1] CCN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)NC[*:1]
COC(=O)CN(Cc1cc(=O)n2ccccc2[nH+]1)Cc1ccccc1C Cc1ccccc1[*:1] COC(=O)CN(Cc1cc(=O)n2ccccc2[nH+]1)C[*:1]
COC(=O)CN(Cc1cc(=O)n2ccccc2[nH+]1)Cc1ccccc1C COC(=O)[*:1] Cc1ccccc1CN(Cc1cc(=O)n2ccccc2[nH+]1)C[*:1]
COC(=O)CN(Cc1cc(=O)n2ccccc2[nH+]1)Cc1ccccc1C COC(=O)C[*:1] Cc1ccccc1CN(Cc1cc(=O)n2ccccc2[nH+]1)[*:1]
COC(=O)CN(Cc1cc(=O)n2ccccc2[nH+]1)Cc1ccccc1C Cc1ccccc1C[*:1] COC(=O)CN(Cc1cc(=O)n2ccccc2[nH+]1)[*:1]
CCCCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2 CCCC[*:1] O=C(Nc1c2C[S@](=O)Cc2nn1-c1cccc(Cl)c1)[*:1]
CCCCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2 CCCCC(=O)N[*:1] O=[S@@]1Cc2nn(-c3cccc(Cl)c3)c(c2C1)[*:1]
CCCCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2 CCC[*:1] O=C(C[*:1])Nc1c2C[S@](=O)Cc2nn1-c1cccc(Cl)c1
CCCCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2 Clc1cccc(c1)[*:1] CCCCC(=O)Nc1c2C[S@](=O)Cc2nn1[*:1]
C[C@H]1CN(c2ccc(CNC(=O)CCOc3ccccc3)c[nH+]2)CCO1 c1ccc(cc1)[*:1] C[C@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)CCO[*:1]
C[C@H]1CN(c2ccc(CNC(=O)CCOc3ccccc3)c[nH+]2)CCO1 c1ccc(cc1)O[*:1] C[C@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)CC[*:1]
C[C@H]1CN(c2ccc(CNC(=O)CCOc3ccccc3)c[nH+]2)CCO1 c1ccc(cc1)OC[*:1] C[C@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)C[*:1]
CN(C)Nc1ncnc(NCc2cccnc2)c1N c1cncc(c1)[*:1] CN(C)Nc1ncnc(NC[*:1])c1N
CN(C)Nc1ncnc(NCc2cccnc2)c1N CN(C)N[*:1] Nc1c(ncnc1[*:1])NCc1cccnc1
CC(C)[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)C1CC1 CC(C)[C@@H](O)[*:1] CC(C)[C@@H]([NH2+]CC(C)(C)[*:1])C1CC1
CC(C)[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)C1CC1 C1CC1[*:1] CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C(C)C)[*:1]
CC(C)[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)C1CC1 CC(C)[*:1] CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C1CC1)[*:1]
CC(C)[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)C1CC1 CC(C)[*:1] CC(C)[C@@H]([NH2+]CC(C)(C)[C@H](O)[*:1])C1CC1
Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)CC2=O)cc1F O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1F)N1C[C@H](CC1=O)C(=O)NCc1ccccc1C[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)CC2=O)cc1F O=S(=O)(C[*:1])N1CCOCC1 Cc1ccc(cc1F)N1C[C@H](CC1=O)C(=O)NCc1ccccc1[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)CC2=O)cc1F Cc1ccc(cc1F)[*:1] O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CN1C(=O)NC(C)(C)C1=O COc1ccc(Cl)cc1[*:1] CN(CC(=O)N[*:1])C(=O)CN1C(=O)NC(C)(C)C1=O
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CN1C(=O)NC(C)(C)C1=O CC1(C)NC(=O)N(C1=O)[*:1] COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C[*:1]
O=S(=O)(CCCF)N1CCN(c2cccc[nH+]2)CC1 FCC[*:1] O=S(=O)(C[*:1])N1CCN(CC1)c1cccc[nH+]1
O=S(=O)(CCCF)N1CCN(c2cccc[nH+]2)CC1 FCCC[*:1] O=S(=O)(N1CCN(CC1)c1cccc[nH+]1)[*:1]
CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(F)ccc3F)CN2C1=O CC(C)[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](C(=O)N2C1)[*:1])c1cc(F)ccc1F
CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(F)ccc3F)CN2C1=O Fc1ccc(F)c(c1)[*:1] CC(C)[C@H]1NC(=O)[C@@H]2C[C@@H](CN2C1=O)NC(=O)[*:1]
CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccccn2)[C@H](C)C1 c1ccc(nc1)[*:1] CC(C)C(=O)N1CC[C@@H]([NH2+]C[*:1])[C@H](C)C1
CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccccn2)[C@H](C)C1 CC(C)[*:1] C[C@@H]1CN(CC[C@H]1[NH2+]Cc1ccccn1)C(=O)[*:1]
CC[C@@H](C)[NH2+][C@@]1(C(=O)OC)CCc2ccc(OC)cc21 COC(=O)[*:1] CC[C@@H](C)[NH2+][C@]1(CCc2ccc(cc21)OC)[*:1]
CCC(=O)Nc1cccc(NC(=O)N2CCC[C@H](C(=O)NCc3cccc(F)c3)C2)c1 Fc1cccc(c1)C[*:1] CCC(=O)Nc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCC(=O)Nc1cccc(NC(=O)N2CCC[C@H](C(=O)NCc3cccc(F)c3)C2)c1 CCC(=O)N[*:1] O=C(NCc1cccc(F)c1)[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)[*:1]
CCC(=O)Nc1cccc(NC(=O)N2CCC[C@H](C(=O)NCc3cccc(F)c3)C2)c1 Fc1cccc(c1)[*:1] CCC(=O)Nc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
CCCc1c(O)nc(SCC(=O)Nc2ccccc2OC)[nH]c1=O CCC[*:1] COc1ccccc1NC(=O)CSc1nc(O)c(c(=O)[nH]1)[*:1]
CCCc1c(O)nc(SCC(=O)Nc2ccccc2OC)[nH]c1=O COc1ccccc1[*:1] CCCc1c(O)nc([nH]c1=O)SCC(=O)N[*:1]
N#Cc1ccc(CN2CCC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1 N#Cc1ccc(cc1)C[*:1] c1coc(c1)-c1nnc(C[NH+]2CCCN(CC2)[*:1])o1
N#Cc1ccc(CN2CCC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1 c1coc(c1)[*:1] N#Cc1ccc(cc1)CN1CCC[NH+](CC1)Cc1nnc(o1)[*:1]
N#Cc1ccc(CN2CCC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1 N#Cc1ccc(cc1)[*:1] c1coc(c1)-c1nnc(C[NH+]2CCCN(CC2)C[*:1])o1
Cc1cc(C(=O)O[C@H](C)c2ccccc2N(C)C)ncn1 CN(C)[*:1] Cc1cc(ncn1)C(=O)O[C@H](C)c1ccccc1[*:1]
Cc1cc(C(=O)O[C@H](C)c2ccccc2N(C)C)ncn1 Cc1cc(ncn1)[*:1] C[C@@H](OC(=O)[*:1])c1ccccc1N(C)C
CC(C)Oc1cccc(NC(=O)c2cc3cnc4[nH]ccc4c3s2)c1 CC(C)O[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2cnc3[nH]ccc3c2s1
CC(C)Oc1cccc(NC(=O)c2cc3cnc4[nH]ccc4c3s2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)O[*:1])c1cc2cnc3[nH]ccc3c2s1
CC(=O)N(c1ccc(F)cc1)c1nc(Cn2cnc([N+](=O)[O-])c2)cs1 O=[N+]([O-])[*:1] CC(=O)N(c1ccc(F)cc1)c1nc(cs1)Cn1cnc(c1)[*:1]
CC(=O)N(c1ccc(F)cc1)c1nc(Cn2cnc([N+](=O)[O-])c2)cs1 Fc1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)Cn1cnc(c1)[N+](=O)[O-])[*:1]
CC(=O)N(c1ccc(F)cc1)c1nc(Cn2cnc([N+](=O)[O-])c2)cs1 O=[N+]([O-])c1cn(cn1)[*:1] CC(=O)N(c1ccc(F)cc1)c1nc(cs1)C[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccncc2)cc1 COc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccncc2)N1CCc1ccccc1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccncc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccncc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccncc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccncc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccncc2)cc1 COc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccncc2)N1CCc1ccccc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccncc2)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccncc1)[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(OC(F)F)c1 Fc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)Nc1cccc(c1)OC(F)F)[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(c1)[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(c1)O[*:1]
CCc1cccc(C(C)(C)C)c1N CC(C)(C)[*:1] CCc1cccc(c1N)[*:1]
CCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1ncn[nH]1 c1n[nH]c(n1)SC[*:1] CCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)[*:1]
CCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1ncn[nH]1 c1n[nH]c(n1)S[*:1] CCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[*:1]
CCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1ncn[nH]1 c1n[nH]c(n1)[*:1] CCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CS[*:1]
C[C@@H]1Cc2nc(SCC(=O)NCc3ccc(F)cc3)n(Cc3ccccc3)c(=O)c2S1 c1ccc(cc1)C[*:1] C[C@@H]1Cc2nc(SCC(=O)NCc3ccc(F)cc3)n(c(=O)c2S1)[*:1]
C[C@@H]1Cc2nc(SCC(=O)NCc3ccc(F)cc3)n(Cc3ccccc3)c(=O)c2S1 Fc1ccc(cc1)[*:1] C[C@@H]1Cc2nc(SCC(=O)NC[*:1])n(Cc3ccccc3)c(=O)c2S1
C[C@@H]1Cc2nc(SCC(=O)NCc3ccc(F)cc3)n(Cc3ccccc3)c(=O)c2S1 Fc1ccc(cc1)C[*:1] C[C@@H]1Cc2nc(SCC(=O)N[*:1])n(Cc3ccccc3)c(=O)c2S1
C[C@@H]1Cc2nc(SCC(=O)NCc3ccc(F)cc3)n(Cc3ccccc3)c(=O)c2S1 c1ccc(cc1)[*:1] C[C@@H]1Cc2nc(SCC(=O)NCc3ccc(F)cc3)n(C[*:1])c(=O)c2S1
CCOc1ccccc1CNC(=O)c1cc(C#N)cs1 CCO[*:1] N#Cc1csc(c1)C(=O)NCc1ccccc1[*:1]
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H](NCc1ccc(F)cc1)C2 C=CC[*:1] C[NH+]1CCN(CC1)C(=O)c1nn(c2CC[C@@H](Cc12)NCc1ccc(F)cc1)[*:1]
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H](NCc1ccc(F)cc1)C2 Fc1ccc(cc1)[*:1] C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2C[C@H](CCc21)NC[*:1]
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H](NCc1ccc(F)cc1)C2 Fc1ccc(cc1)CN[*:1] C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2C[C@@H](CCc21)[*:1]
C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H](NCc1ccc(F)cc1)C2 Fc1ccc(cc1)C[*:1] C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2C[C@H](CCc21)N[*:1]
COC(=O)c1cccc(CCNC(=O)C(F)(F)c2ccccn2)c1 c1ccc(nc1)[*:1] COC(=O)c1cccc(c1)CCNC(=O)C(F)(F)[*:1]
COC(=O)c1cccc(CCNC(=O)C(F)(F)c2ccccn2)c1 COC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])C(F)(F)c1ccccn1
CC(C)(C)C(=O)N1CCCc2cc(N)ccc21 CC(C)(C)[*:1] Nc1ccc2c(c1)CCCN2C(=O)[*:1]
C#CCSc1nnnn1-c1ccc(C(=O)[O-])cc1 C#CC[*:1] O=C([O-])c1ccc(cc1)-n1nnnc1S[*:1]
C#CCSc1nnnn1-c1ccc(C(=O)[O-])cc1 C#CCS[*:1] O=C([O-])c1ccc(cc1)-n1nnnc1[*:1]
C#CCSc1nnnn1-c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] C#CCSc1nnnn1-c1ccc(cc1)[*:1]
CCn1ncc2c(C(=O)N3CCCC[C@@H]3C)cc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)N1CCCC[C@@H]1C
CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)c1c(C)nn(C)c1C CCC[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](Cc1ccccc1)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)c1c(C)nn(C)c1C c1ccc(cc1)[*:1] CCC[C@@H](C[*:1])NC(=O)C(=O)c1c(C)nn(C)c1C
CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)c1c(C)nn(C)c1C c1ccc(cc1)C[*:1] CCC[C@@H](NC(=O)C(=O)c1c(C)nn(C)c1C)[*:1]
O=c1c(Cl)c(N2CCc3sccc3C2)cnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=c1c(Cl)c(cnn1[*:1])N1CCc2sccc2C1
O=C(Cn1cncn1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(Cn1cncn1)NNC(=O)c1ccc(cc1)[*:1]
O=C(Cn1cncn1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 c1ncn(n1)[*:1] O=C(C[*:1])NNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(Cn1cncn1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 c1ncn(C[*:1])n1 O=C(NNC(=O)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2ccccc2c1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc2ccccc2c1
COc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1 c1ccc2c(c1)ccn2[*:1] COc1ccc(cc1)C(=O)NC(=S)NNC(=O)C[*:1]
COc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C(Cn1ccc2ccccc21)NNC(=S)NC(=O)[*:1]
C#CCN(Cc1ccccc1OCC(=O)N(C)C)C1CCCC1 CN(C)C(=O)CO[*:1] C#CCN(Cc1ccccc1[*:1])C1CCCC1
C#CCN(Cc1ccccc1OCC(=O)N(C)C)C1CCCC1 C1CCC(C1)[*:1] C#CCN(Cc1ccccc1OCC(=O)N(C)C)[*:1]
C#CCN(Cc1ccccc1OCC(=O)N(C)C)C1CCCC1 C#CC[*:1] CN(C)C(=O)COc1ccccc1CN(C1CCCC1)[*:1]
C#CCN(Cc1ccccc1OCC(=O)N(C)C)C1CCCC1 CN(C)C(=O)[*:1] C#CCN(Cc1ccccc1OC[*:1])C1CCCC1
C#CCN(Cc1ccccc1OCC(=O)N(C)C)C1CCCC1 CN(C)C(=O)C[*:1] C#CCN(Cc1ccccc1O[*:1])C1CCCC1
O=C(CCSc1ccccn1)NCc1nc(-c2ccncc2)no1 c1ccc(nc1)SC[*:1] O=C(C[*:1])NCc1nc(no1)-c1ccncc1
O=C(CCSc1ccccn1)NCc1nc(-c2ccncc2)no1 c1ccc(nc1)[*:1] O=C(CCS[*:1])NCc1nc(no1)-c1ccncc1
O=C(CCSc1ccccn1)NCc1nc(-c2ccncc2)no1 c1ccc(nc1)S[*:1] O=C(CC[*:1])NCc1nc(no1)-c1ccncc1
O=C(CCSc1ccccn1)NCc1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] O=C(CCSc1ccccn1)NCc1nc(no1)[*:1]
CNC(=O)c1ccc(Cl)cc1NCC(=O)NCc1ccccc1C Cc1ccccc1[*:1] CNC(=O)c1ccc(Cl)cc1NCC(=O)NC[*:1]
CNC(=O)c1ccc(Cl)cc1NCC(=O)NCc1ccccc1C Cc1ccccc1C[*:1] CNC(=O)c1ccc(Cl)cc1NCC(=O)N[*:1]
CNC(=O)c1ccc(Cl)cc1NCC(=O)NCc1ccccc1C CNC(=O)[*:1] Cc1ccccc1CNC(=O)CNc1cc(Cl)ccc1[*:1]
CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CO)C2)c1 CC(=O)N[*:1] O=C(CO)N1CCC[C@H](C1)c1nccnc1-c1cccc(c1)[*:1]
C[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)[*:1]
Cc1c(F)cccc1NC(=O)N1CCC([C@@H](C)O)CC1 C[C@@H](O)[*:1] Cc1c(F)cccc1NC(=O)N1CCC(CC1)[*:1]
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCOC[C@@H]1CC(C)C CC(C)[*:1] Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCOC[C@@H]1C[*:1]
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCOC[C@@H]1CC(C)C CC(C)C[*:1] Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCOC[C@H]1[*:1]
CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 CC(C)S(=O)(=O)[*:1] C[C@H](CNC(=O)C[*:1])c1nc(no1)-c1ccccc1
CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 CC(C)S(=O)(=O)C[*:1] C[C@H](CNC(=O)[*:1])c1nc(no1)-c1ccccc1
CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 CC(C)[*:1] C[C@H](CNC(=O)CS(=O)(=O)[*:1])c1nc(no1)-c1ccccc1
CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)c1nc(no1)[*:1]
COc1cccc(CNC(=O)N[C@H](C)c2ccc(Cl)s2)n1 Clc1ccc(s1)[*:1] COc1cccc(CNC(=O)N[C@H](C)[*:1])n1
CCOC(=O)c1noc2ncn([C@@H](C)C(=O)N(C)c3cccc(C)c3)c(=O)c12 Cc1cccc(c1)[*:1] CCOC(=O)c1noc2ncn(c(=O)c12)[C@@H](C)C(=O)N(C)[*:1]
CCOC(=O)c1noc2ncn([C@@H](C)C(=O)N(C)c3cccc(C)c3)c(=O)c12 CCOC(=O)[*:1] Cc1cccc(c1)N(C)C(=O)[C@H](C)n1cnc2onc(c2c1=O)[*:1]
CCCc1ccc(S(=O)(=O)NCC#CCOc2cccc3cccnc23)cc1 CCCc1ccc(cc1)[*:1] O=S(=O)(NCC#CCOc1cccc2cccnc12)[*:1]
CCCc1ccc(S(=O)(=O)NCC#CCOc2cccc3cccnc23)cc1 CCC[*:1] O=S(=O)(NCC#CCOc1cccc2cccnc12)c1ccc(cc1)[*:1]
COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(F)c4)cc3n2)cc1 COc1ccc(cc1)[*:1] Cc1cc2nn(nc2cc1NC(=O)c1cccc(F)c1)[*:1]
COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(F)c4)cc3n2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)-n1nc2cc(C)c(cc2n1)NC(=O)[*:1]
C[NH+]1CCN(CCC(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CCC(=O)N/N=C\c2cc3OCOc3cc2[*:1])CC1
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@@H]2CC(=O)Nc1ccc(F)cc1 Clc1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)c1[*:1]
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@@H]2CC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)N[*:1])c1-c1ccc(Cl)cc1
COc1ccc([C@H](CNC(=O)Nc2cc(C)ccc2C)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
COc1ccc([C@H](CNC(=O)Nc2cc(C)ccc2C)[NH+]2CCCC2)cc1 Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)N[*:1])[NH+]1CCCC1
COc1ccc(OC)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c1 COc1ccc(OC)c(c1)[*:1] Cc1ccccc1-n1c(nc2ccsc2c1=O)SCC(=O)N[*:1]
COc1ccc(OC)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c1 Cc1ccccc1[*:1] COc1ccc(OC)c(c1)NC(=O)CSc1nc2ccsc2c(=O)n1[*:1]
CC1(C)CC(=O)C([C@@H]2[C@H](Cc3ccccc3)O[C@@H]3CC(C)(C)CC(=O)[C@@H]32)=C([O-])C1 c1ccc(cc1)[*:1] CC1(C)CC(=O)C(=C([O-])C1)[C@@H]1[C@H](C[*:1])O[C@@H]2CC(C)(C)CC(=O)[C@@H]21
CC1(C)CC(=O)C([C@@H]2[C@H](Cc3ccccc3)O[C@@H]3CC(C)(C)CC(=O)[C@@H]32)=C([O-])C1 c1ccc(cc1)C[*:1] CC1(C)CC(=O)C(=C([O-])C1)[C@@H]1[C@H](O[C@@H]2CC(C)(C)CC(=O)[C@@H]21)[*:1]
COc1ccc(-c2cnn3c(C)c(C(=O)Nc4cccc(Cl)c4)cnc23)cc1OC Clc1cccc(c1)[*:1] COc1ccc(cc1OC)-c1cnn2c(C)c(cnc12)C(=O)N[*:1]
COc1ccc(-c2cnn3c(C)c(C(=O)Nc4cccc(Cl)c4)cnc23)cc1OC O=C(Nc1cccc(Cl)c1)[*:1] COc1ccc(cc1OC)-c1cnn2c(C)c(cnc12)[*:1]
COc1ccc(-c2cnn3c(C)c(C(=O)Nc4cccc(Cl)c4)cnc23)cc1OC COc1ccc(cc1OC)[*:1] Cc1c(cnc2c(cnn12)[*:1])C(=O)Nc1cccc(Cl)c1
CSCC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[O-] CSC[*:1] CN1C[C@@H](CC1=O)C(=O)N[C@H](C[*:1])C(=O)[O-]
CSCC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[O-] O=C([O-])[*:1] CSCC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)[*:1]
CSCC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[O-] CSCC[*:1] CN1C[C@@H](CC1=O)C(=O)N[C@@H](C(=O)[O-])[*:1]
CO[C@]1(C)C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C O=[N+]([O-])[*:1] CO[C@]1(C)C[C@@H](NS(=O)(=O)c2ccccc2[*:1])C1(C)C
Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)N1CCC(CC1)[C@H](O)c1ccc(Cl)cc1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 Cc1nn(C)cc1[C@@H](C)[*:1] O=C(N[*:1])N1CCC(CC1)[C@H](O)c1ccc(Cl)cc1
Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 O[C@H](c1ccc(Cl)cc1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC(CC1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC(CC1)[C@H](O)[*:1]
Cn1cc(C(=O)N2CC[C@@H](CO)C2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)N2CC[C@@H](CO)C2)c(n1)[*:1]
Cc1ccc([C@H]2C(=O)N(c3ccccc3)C(=S)N2C)cc1 Cc1ccc(cc1)[*:1] CN1C(=S)N(C(=O)[C@@H]1[*:1])c1ccccc1
Cc1ccc([C@H]2C(=O)N(c3ccccc3)C(=S)N2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1C(=O)N(C(=S)N1C)[*:1]
CC[C@@](C)([C@H]([NH3+])CCC1CC1)N1CCOCC1 C1CC1C[*:1] CC[C@@](C)([C@H]([NH3+])C[*:1])N1CCOCC1
CC[C@@](C)([C@H]([NH3+])CCC1CC1)N1CCOCC1 C1CC1[*:1] CC[C@@](C)([C@H]([NH3+])CC[*:1])N1CCOCC1
CC[C@@](C)([C@H]([NH3+])CCC1CC1)N1CCOCC1 C1CC1CC[*:1] CC[C@@](C)([C@H]([NH3+])[*:1])N1CCOCC1
CSc1nc(-c2cccc(Cl)c2)nc2c1Cc1c(CO)cnc(C)c1O2 Clc1cccc(c1)[*:1] CSc1nc(nc2Oc3c(C)ncc(CO)c3Cc21)[*:1]
COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)n2c1nc1ccccc12 COc1ccccc1[*:1] COCCN1C(=O)[C@H](CC(=O)N[*:1])n2c1nc1ccccc12
COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)n2c1nc1ccccc12 COCC[*:1] COc1ccccc1NC(=O)C[C@H]1C(=O)N(c2nc3ccccc3n21)[*:1]
COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)n2c1nc1ccccc12 COC[*:1] COc1ccccc1NC(=O)C[C@H]1C(=O)N(C[*:1])c2nc3ccccc3n21
CCCC[NH+]1CNc2c(c(=O)nc(S)n2CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CCCC[NH+]1CNc2c(C1)c(=O)nc(S)n2C[*:1]
CCCC[NH+]1CNc2c(c(=O)nc(S)n2CCc2ccccc2)C1 c1ccc(cc1)[*:1] CCCC[NH+]1CNc2c(C1)c(=O)nc(S)n2CC[*:1]
CCCC[NH+]1CNc2c(c(=O)nc(S)n2CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] CCCC[NH+]1CNc2c(C1)c(=O)nc(S)n2[*:1]
CCCC[NH+]1CNc2c(c(=O)nc(S)n2CCc2ccccc2)C1 CCCC[*:1] O=c1nc(S)n(CCc2ccccc2)c2NC[NH+](Cc21)[*:1]
CCCC[NH+]1CNc2c(c(=O)nc(S)n2CCc2ccccc2)C1 CCC[*:1] O=c1nc(S)n(CCc2ccccc2)c2NC[NH+](Cc21)C[*:1]
CCN(C)C(=O)c1cccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c1 CCN(C)C(=O)[*:1] Cc1ccccc1[C@H]1C[C@@H](C)N(C1)C(=O)c1cccc(c1)[*:1]
CCN(C)C(=O)c1cccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c1 Cc1ccccc1[*:1] CCN(C)C(=O)c1cccc(c1)C(=O)N1C[C@@H](C[C@H]1C)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C)[C@@H]2c2ccc(I)cc2)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(I)cc1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C)[C@@H]2c2ccc(I)cc2)cc1 Ic1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C)[C@H]1[*:1]
O=C(C1CCCCCC1)N1CCCCC[C@@H]1c1ccco1 C1CCCC(CC1)[*:1] O=C(N1CCCCC[C@@H]1c1ccco1)[*:1]
O=C(C1CCCCCC1)N1CCCCC[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(C1CCCCCC1)N1CCCCC[C@H]1[*:1]
Cc1[nH]ncc1C(=O)N(C)[C@H](C)c1ccccc1F Cc1[nH]ncc1[*:1] C[C@H](c1ccccc1F)N(C)C(=O)[*:1]
Brc1cccc(-c2nc(CSc3nnnn3C3CC3)cs2)c1 C1CC1[*:1] Brc1cccc(c1)-c1nc(cs1)CSc1nnnn1[*:1]
Brc1cccc(-c2nc(CSc3nnnn3C3CC3)cs2)c1 Brc1cccc(c1)[*:1] c1sc(nc1CSc1nnnn1C1CC1)[*:1]
CCC(=O)NCC(=O)NCC1([NH+](C)C)CCOCC1 CCC(=O)NC[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)[*:1]
CCC(=O)NCC(=O)NCC1([NH+](C)C)CCOCC1 CCC(=O)N[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)C[*:1]
Cc1ccc(C)c2c(=O)cc(CN(C)C3CCS(=O)(=O)CC3)[nH]c12 O=S1(=O)CCC(CC1)[*:1] Cc1ccc(C)c2c(=O)cc(CN(C)[*:1])[nH]c12
CC[NH2+][C@@H](c1ccccc1OCC)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] CC[NH2+][C@@H](c1ccccc1OCC)[C@@H](C)[*:1]
CC[NH2+][C@@H](c1ccccc1OCC)[C@@H](C)c1ccccn1 CCO[*:1] CC[NH2+][C@@H](c1ccccc1[*:1])[C@@H](C)c1ccccn1
CCC(=O)N1CCN(C(=O)NCc2ccnc(OC(C)(C)C)c2)CC1 CC(C)(C)[*:1] CCC(=O)N1CCN(CC1)C(=O)NCc1ccnc(c1)O[*:1]
CCC(=O)N1CCN(C(=O)NCc2ccnc(OC(C)(C)C)c2)CC1 CC(C)(C)O[*:1] CCC(=O)N1CCN(CC1)C(=O)NCc1ccnc(c1)[*:1]
COc1ccccc1Cc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1 COc1ccccc1C[*:1] O=C(CS(=O)(=O)c1ccccc1)Nc1nnc(s1)[*:1]
COc1ccccc1Cc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1 COc1ccccc1[*:1] O=C(CS(=O)(=O)c1ccccc1)Nc1nnc(C[*:1])s1
COc1ccccc1Cc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1 O=S(=O)(c1ccccc1)[*:1] COc1ccccc1Cc1nnc(NC(=O)C[*:1])s1
COc1ccccc1Cc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] COc1ccccc1Cc1nnc(NC(=O)CS(=O)(=O)[*:1])s1
C[NH2+][C@@]1(CO)CC[C@H](n2ccc(C(F)(F)F)n2)C1 FC(F)(F)[*:1] C[NH2+][C@@]1(CO)CC[C@@H](C1)n1ccc(n1)[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1Cl CC(C)[*:1] C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)NC[*:1])c(Cl)c1
CC(C)CNC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1Cl CC(C)CNC(=O)[*:1] C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1Cl CC(C)C[*:1] C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(c1ccc(F)cc1)c1cn(c2ccc(F)cc2c1=O)[*:1]
Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc(F)cc1)c1cn(C[*:1])c2ccc(F)cc2c1=O
Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1 O=C(c1ccc(F)cc1)[*:1] Cc1ccc(cc1)Cn1cc(c(=O)c2cc(F)ccc21)[*:1]
Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1cc(C(=O)[*:1])c(=O)c2cc(F)ccc21
Cc1ccc(CNC(=O)c2nnc(CSc3nnc(-c4cccs4)n3C)s2)cc1 Cc1ccc(cc1)C[*:1] Cn1c(nnc1-c1cccs1)SCc1nnc(s1)C(=O)N[*:1]
Cc1ccc(CNC(=O)c2nnc(CSc3nnc(-c4cccs4)n3C)s2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)CNC(=O)c1nnc(CSc2nnc(n2C)[*:1])s1
Cc1ccc(CNC(=O)c2nnc(CSc3nnc(-c4cccs4)n3C)s2)cc1 Cc1ccc(cc1)[*:1] Cn1c(nnc1-c1cccs1)SCc1nnc(s1)C(=O)NC[*:1]
COC(=O)[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc[nH]c1=O COC(=O)[*:1] CN(C(=O)c1ccc[nH]c1=O)[C@@H](c1cc(F)ccc1F)[*:1]
COC(=O)[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc[nH]c1=O Fc1ccc(F)c(c1)[*:1] COC(=O)[C@H](N(C)C(=O)c1ccc[nH]c1=O)[*:1]
COC(=O)[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc[nH]c1=O O=c1[nH]cccc1[*:1] COC(=O)[C@H](c1cc(F)ccc1F)N(C)C(=O)[*:1]
COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccccc1SC CSc1ccccc1[*:1] COc1cc(=O)n(nc1C(=O)N[*:1])-c1ccccc1
COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccccc1SC c1ccc(cc1)[*:1] COc1cc(=O)n(nc1C(=O)Nc1ccccc1SC)[*:1]
Cc1csc([C@@H](C)NC(=O)Nc2ccc3c(c2)OCO3)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)Nc1ccc2OCOc2c1)[*:1]
O=C([C@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCN(c2ncc3ccccc3n2)CC1 Clc1cccc(c1)C[*:1] O=C([C@H]1CC(=NO1)[*:1])N1CCN(CC1)c1ncc2ccccc2n1
O=C([C@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCN(c2ncc3ccccc3n2)CC1 c1ccc2nc(ncc2c1)[*:1] O=C([C@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCN(CC1)[*:1]
O=C([C@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCN(c2ncc3ccccc3n2)CC1 Clc1cccc(c1)[*:1] O=C([C@H]1CC(C[*:1])=NO1)N1CCN(CC1)c1ncc2ccccc2n1
N#Cc1ccc(N2CCN(C(=O)CCc3n[nH]c4c3CCCC4)CC2=O)cc1 N#Cc1ccc(cc1)[*:1] O=C(CCc1n[nH]c2CCCCc12)N1CCN(C(=O)C1)[*:1]
N#Cc1ccc(N2CCN(C(=O)CCc3n[nH]c4c3CCCC4)CC2=O)cc1 C1CCc2c(n[nH]c2C1)[*:1] N#Cc1ccc(cc1)N1CCN(CC1=O)C(=O)CC[*:1]
CC(C)Sc1ccccc1C(=O)NNc1cc(C#N)cc(Cl)n1 CC(C)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccccc1S[*:1]
CC(C)Sc1ccccc1C(=O)NNc1cc(C#N)cc(Cl)n1 CC(C)S[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccccc1[*:1]
COc1ccccc1CN1CCC[C@@H](c2cc(C(=O)NCc3ccncc3)on2)C1 c1cc(ccn1)[*:1] COc1ccccc1CN1CCC[C@H](C1)c1cc(on1)C(=O)NC[*:1]
COc1ccccc1CN1CCC[C@@H](c2cc(C(=O)NCc3ccncc3)on2)C1 COc1ccccc1C[*:1] O=C(NCc1ccncc1)c1cc(no1)[C@@H]1CCCN(C1)[*:1]
COc1ccccc1CN1CCC[C@@H](c2cc(C(=O)NCc3ccncc3)on2)C1 COc1ccccc1[*:1] O=C(NCc1ccncc1)c1cc(no1)[C@@H]1CCCN(C1)C[*:1]
COc1ccccc1CN1CCC[C@@H](c2cc(C(=O)NCc3ccncc3)on2)C1 O=C(NCc1ccncc1)[*:1] COc1ccccc1CN1CCC[C@H](C1)c1cc(on1)[*:1]
COc1ccccc1CN1CCC[C@@H](c2cc(C(=O)NCc3ccncc3)on2)C1 c1cc(ccn1)C[*:1] COc1ccccc1CN1CCC[C@H](C1)c1cc(on1)C(=O)N[*:1]
C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O Clc1ccc(c(Cl)c1)[*:1] C[C@]1(NC(=O)N(Cc2ccc3OCOc3c2)C1=O)[*:1]
Cc1cn2c([nH+]1)CC[C@@H](NC(=O)COc1cc(C)on1)C2 Cc1cc(no1)[*:1] Cc1cn2C[C@@H](CCc2[nH+]1)NC(=O)CO[*:1]
Cc1cn2c([nH+]1)CC[C@@H](NC(=O)COc1cc(C)on1)C2 Cc1cc(no1)O[*:1] Cc1cn2C[C@@H](CCc2[nH+]1)NC(=O)C[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCC(Nc2ccccc2F)CC1 Fc1ccccc1N[*:1] CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCC(CC1)[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCC(Nc2ccccc2F)CC1 CC(C)[*:1] C[C@@H](CNC(=O)N1CCC(CC1)Nc1ccccc1F)C(=O)O[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCC(Nc2ccccc2F)CC1 Fc1ccccc1[*:1] CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCC(CC1)N[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCC(Nc2ccccc2F)CC1 CC(C)OC(=O)[*:1] C[C@@H](CNC(=O)N1CCC(CC1)Nc1ccccc1F)[*:1]
CN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccncc1Cl Clc1ccc(cc1)[*:1] CN1C(=O)C(=C[*:1])S/C1=N\c1ccncc1Cl
CN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccncc1Cl Clc1cnccc1[*:1] CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=N[*:1]
CCOC(=O)c1c(C)oc2ncn(C[C@H](O)Cn3c4ccccc4c4ccccc43)c(=O)c12 CCOC(=O)[*:1] Cc1oc2ncn(C[C@H](O)Cn3c4ccccc4c4ccccc43)c(=O)c2c1[*:1]
CCOc1cc2c(cc1NC(=O)c1ccc(COC)cc1)O[C@H](C)C2 COC[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)c1ccc(cc1)[*:1]
CCOc1cc2c(cc1NC(=O)c1ccc(COC)cc1)O[C@H](C)C2 CCO[*:1] COCc1ccc(cc1)C(=O)Nc1cc2O[C@H](C)Cc2cc1[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)Nc2cccc(F)c2C)c1 Cc1c(F)cccc1[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)Nc2cccc(F)c2C)c1 CN(C)C(=O)N[*:1] Cc1ccc(c(c1)C(=O)Nc1cccc(F)c1C)[*:1]
C[C@@H](CC(=O)c1cccc(F)c1)/C([O-])=N/S(=O)(=O)N1CCCC1 Fc1cccc(c1)[*:1] C[C@@H](CC(=O)[*:1])/C([O-])=N/S(=O)(=O)N1CCCC1
C[C@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H](O)C[C@@H]1C(N)=O NC(=O)[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H](O)C[C@H]1[*:1]
Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(Br)c1 c1ccc(cc1)[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)Nc1c(C)n(C)n(c1=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] Cc1c(NS(=O)(=O)[*:1])c(=O)n(-c2ccccc2)n1C
C[C@@H]1OCC[C@H]1C(=O)NCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H]1OCC[C@H]1C(=O)NCC(=O)N[*:1]
COc1ccc(CCC[C@@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CCC[C@@H](O)[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[*:1]
O=C(CC[NH+]1CC=C(c2ccc(O)cc2)CC1)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(CC[NH+]1CC=C(CC1)c1ccc(O)cc1)N[*:1]
O=C(CC[NH+]1CC=C(c2ccc(O)cc2)CC1)Nc1cc(Cl)ccc1Cl Oc1ccc(cc1)[*:1] O=C(CC[NH+]1CC=C(CC1)[*:1])Nc1cc(Cl)ccc1Cl
Cc1n[nH]c(SCCC(=O)N2CC[C@H]3CCCC[C@H]32)n1 Cc1n[nH]c(n1)[*:1] O=C(CCS[*:1])N1CC[C@H]2CCCC[C@H]21
CC(=O)Nc1ccc(F)c(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 CC(=O)N[*:1] O=C(Nc1cc(ccc1F)[*:1])C1(CC1)c1ccc(Cl)cc1
CC(=O)Nc1ccc(F)c(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)C1(CC1)[*:1]
O=C(NCCNC(=O)C1CC1)NOC1CCCC1 C1CCC(C1)[*:1] O=C(NCCNC(=O)C1CC1)NO[*:1]
O=C(NCCNC(=O)C1CC1)NOC1CCCC1 O=C(N[*:1])C1CC1 O=C(NCC[*:1])NOC1CCCC1
O=C(NCCNC(=O)C1CC1)NOC1CCCC1 C1CC1[*:1] O=C(NCCNC(=O)[*:1])NOC1CCCC1
O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(COc1ccc2NC(=O)CCc2c1)NCc1ccc(cc1)[*:1]
C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCC(=O)N1 O=C([O-])C[*:1] C=CCN(C(=O)NC[C@@H]1CCC(=O)N1)[*:1]
C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCC(=O)N1 C=CC[*:1] O=C([O-])CN(C(=O)NC[C@@H]1CCC(=O)N1)[*:1]
C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCC(=O)N1 O=C1CC[C@H](N1)[*:1] C=CCN(CC(=O)[O-])C(=O)NC[*:1]
C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCC(=O)N1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)NC[C@@H]1CCC(=O)N1
Cc1cccnc1CN1C[C@@H](C)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1cccnc1CN1C[C@@H](C)[C@H]1[*:1]
CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2C(F)(F)F)CC(=O)N3)CC1 FC(F)(F)c1ccccc1[*:1] CC1CCN(CC1)c1nc2NC(=O)C[C@@H](C(=O)N[*:1])c2c(=O)[nH]1
CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2C(F)(F)F)CC(=O)N3)CC1 CC1CCN(CC1)[*:1] O=C1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)c2c(nc([nH]c2=O)[*:1])N1
CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2C(F)(F)F)CC(=O)N3)CC1 FC(F)(F)[*:1] CC1CCN(CC1)c1nc2NC(=O)C[C@@H](C(=O)Nc3ccccc3[*:1])c2c(=O)[nH]1
Cc1cnc(C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cn1 Cc1cnc(cn1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(CC)c(C)s1 CCOC(=O)[*:1] CCc1cc(sc1C)C(=O)N1CCN(C[C@H]1[*:1])C(=O)OC(C)(C)C
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(CC)c(C)s1 CCc1cc(sc1C)[*:1] CCOC(=O)[C@@H]1CN(CCN1C(=O)[*:1])C(=O)OC(C)(C)C
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(CC)c(C)s1 CC(C)(C)[*:1] CCOC(=O)[C@@H]1CN(CCN1C(=O)c1cc(CC)c(C)s1)C(=O)O[*:1]
C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 FC(F)(F)[*:1] C[C@H](Cc1ccc(cc1)[*:1])NC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
CC1=C([C@@H](NC(=O)c2cc3c(s2)CCCCC3)C(=O)[O-])[C@H](C)N=N1 O=C([O-])[*:1] CC1N=N[C@@H](C)C=1[C@@H](NC(=O)c1cc2CCCCCc2s1)[*:1]
O=C(N/N=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 O=[N+]([O-])[*:1] O=C(N/N=C\c1cc(O)ccc1[*:1])c1ccc2OCCOc2c1
O=C(NCCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCNC(=O)[*:1])N1CC=C(CC1)c1c[nH]c2ncccc12
O=C(NCCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccc(Cl)cc1 c1cnc2[nH]cc(c2c1)[*:1] O=C(NCCC(=O)N1CC=C(CC1)[*:1])c1ccc(Cl)cc1
CC(=O)CCc1ccc(OC(=O)[C@@H]2C[C@@H]2C)cc1 CC(=O)C[*:1] C[C@H]1C[C@H]1C(=O)Oc1ccc(cc1)C[*:1]
CC(=O)CCc1ccc(OC(=O)[C@@H]2C[C@@H]2C)cc1 CC(=O)CC[*:1] C[C@H]1C[C@H]1C(=O)Oc1ccc(cc1)[*:1]
CC(=O)CCc1ccc(OC(=O)[C@@H]2C[C@@H]2C)cc1 CC(=O)[*:1] C[C@H]1C[C@H]1C(=O)Oc1ccc(cc1)CC[*:1]
CC[NH+](Cc1nc2cc(N)ccc2o1)C1CCCCC1 C1CCC(CC1)[*:1] CC[NH+](Cc1nc2cc(N)ccc2o1)[*:1]
COC(=O)CCCc1nc2ccc([N+](=O)[O-])cc2s1 COC(=O)[*:1] O=[N+]([O-])c1ccc2nc(CCC[*:1])sc2c1
COC(=O)CCCc1nc2ccc([N+](=O)[O-])cc2s1 O=[N+]([O-])[*:1] COC(=O)CCCc1nc2ccc(cc2s1)[*:1]
COC(=O)CCCc1nc2ccc([N+](=O)[O-])cc2s1 COC(=O)CC[*:1] O=[N+]([O-])c1ccc2nc(C[*:1])sc2c1
COC(=O)CCCc1nc2ccc([N+](=O)[O-])cc2s1 COC(=O)C[*:1] O=[N+]([O-])c1ccc2nc(CC[*:1])sc2c1
CC(C)(C)Oc1cc(CNC(=O)NC[C@]2(O)CCc3ccccc32)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])NC[C@]1(O)CCc2ccccc21
CC(C)(C)Oc1cc(CNC(=O)NC[C@]2(O)CCc3ccccc32)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])NC[C@]1(O)CCc2ccccc21
C=CCN/C(C)=[NH+]/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] C=CC[*:1] C/C(N[*:1])=[NH+]\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
C=CCN/C(C)=[NH+]/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C=CCN/C(C)=[NH+]/Nc1ccc(cc1[*:1])[N+](=O)[O-]
C=CCN/C(C)=[NH+]/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C=CCN/C(C)=[NH+]/Nc1ccc(cc1[N+](=O)[O-])[*:1]
COC(=O)Nc1ccc(-c2cnc(C)o2)cc1 COC(=O)N[*:1] Cc1ncc(o1)-c1ccc(cc1)[*:1]
COc1ccc(Nc2ccc(N3C(=O)CCCC3=O)cc2[N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)Nc1ccc(cc1[*:1])N1C(=O)CCCC1=O
COc1ccc(Nc2ccc(N3C(=O)CCCC3=O)cc2[N+](=O)[O-])cc1OC O=C1CCCC(=O)N1[*:1] COc1ccc(cc1OC)Nc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@H]([NH+]2CCOCC2)CO3)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CCC2(CC1)C[C@@H](CO2)[NH+]1CCOCC1)[*:1]
CCc1c(C)sc(NC(=O)c2ccn(CC)n2)c1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] CCc1c(C)sc(NC(=O)c2ccn(CC)n2)c1[*:1]
CCc1c(C)sc(NC(=O)c2ccn(CC)n2)c1C(=O)Nc1ccccc1 CCn1ccc(n1)[*:1] CCc1c(C)sc(NC(=O)[*:1])c1C(=O)Nc1ccccc1
CCc1c(C)sc(NC(=O)c2ccn(CC)n2)c1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CCc1c(C)sc(NC(=O)c2ccn(CC)n2)c1C(=O)N[*:1]
c1ccc(-c2ncc(C[NH2+]Cc3csc(C4CC4)n3)s2)cc1 C1CC1[*:1] c1ccc(cc1)-c1ncc(C[NH2+]Cc2csc(n2)[*:1])s1
c1ccc(-c2ncc(C[NH2+]Cc3csc(C4CC4)n3)s2)cc1 c1ccc(cc1)[*:1] c1sc(nc1C[NH2+]Cc1cnc(s1)[*:1])C1CC1
C[NH+](C)Cc1ccccc1CNC(=O)CCc1ccccc1Br Brc1ccccc1[*:1] C[NH+](C)Cc1ccccc1CNC(=O)CC[*:1]
COc1ccc(/C=C/C(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n(cnc21)NC(=O)C=C[*:1]
COc1ccc(/C=C/C(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1OC Cc1ccc(cc1C)[*:1] COc1ccc(/C=C/C(=O)Nn2cnc3c(cnn3[*:1])c2=O)cc1OC
Cc1ccc(-c2cc(C(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)c3ccccc3n2)o1 c1csc(c1)-c1noc(C[*:1])n1 Cc1ccc(o1)-c1cc(C(=O)N2CCN(CC2)[*:1])c2ccccc2n1
Cc1ccc(-c2cc(C(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)c3ccccc3n2)o1 c1csc(c1)-c1noc(n1)[*:1] Cc1ccc(o1)-c1cc(C(=O)N2CCN(CC2)C[*:1])c2ccccc2n1
Cc1ccc(-c2cc(C(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)c3ccccc3n2)o1 c1csc(c1)[*:1] Cc1ccc(o1)-c1cc(C(=O)N2CCN(CC2)Cc2nc(no2)[*:1])c2ccccc2n1
Cc1ccc(-c2cc(C(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)c3ccccc3n2)o1 Cc1ccc(o1)[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCN(CC1)Cc1nc(no1)-c1cccs1
C[C@]1(C(=O)NCc2cccnc2-n2cncn2)CC1(Cl)Cl c1ncn(n1)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NCc1cccnc1[*:1]
C[C@H]1C[C@H]1C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H]1C[C@H]1C(=O)N[C@@H]1CCCCC[C@H]1[*:1]
C[C@H]1C[C@H]1C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] C[C@H]1C[C@@H]1[*:1] O=C([O-])[C@H]1CCCCC[C@H]1NC(=O)[*:1]
CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCS1(=O)=O Clc1cccc(c1)[*:1] CC(C)C[C@@H](C[*:1])[NH2+]C[C@H]1CCCS1(=O)=O
CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCS1(=O)=O CC(C)C[*:1] O=S1(=O)CCC[C@@H]1C[NH2+][C@H](Cc1cccc(Cl)c1)[*:1]
CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCS1(=O)=O CC(C)[*:1] O=S1(=O)CCC[C@@H]1C[NH2+][C@H](Cc1cccc(Cl)c1)C[*:1]
O=C1CSC2=NC3=C(CCCC3=C3SCCS3)[C@H](c3ccccc3)N12 c1ccc(cc1)[*:1] O=C1CSC2=NC3C(CCCC=3[C@H](N12)[*:1])=C1SCCS1
CC(C)N[C@@]1(C#N)CC[C@H](Oc2ccccc2F)C1 CC(C)N[*:1] N#C[C@]1(CC[C@@H](C1)Oc1ccccc1F)[*:1]
CC(C)N[C@@]1(C#N)CC[C@H](Oc2ccccc2F)C1 CC(C)[*:1] N#C[C@@]1(CC[C@@H](C1)Oc1ccccc1F)N[*:1]
CS(=O)(=O)CS(=O)(=O)OCCCl CS(=O)(=O)[*:1] O=S(=O)(C[*:1])OCCCl
CS(=O)(=O)CS(=O)(=O)OCCCl ClCC[*:1] CS(=O)(=O)CS(=O)(=O)O[*:1]
O=C(NCCC[C@H]1CCOC1)c1ccc2nccnc2c1 C1C[C@H](CC[*:1])CO1 O=C(NC[*:1])c1ccc2nccnc2c1
O=C(NCCC[C@H]1CCOC1)c1ccc2nccnc2c1 C1C[C@@H](CO1)C[*:1] O=C(NCC[*:1])c1ccc2nccnc2c1
O=C(COc1ccccc1F)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1 C1CN(CCO1)[*:1] O=C(COc1ccccc1F)N1CCN(CC1)c1cc(c(F)cc1[N+](=O)[O-])[*:1]
O=C(COc1ccccc1F)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1 Fc1ccccc1OC[*:1] O=C(N1CCN(CC1)c1cc(c(F)cc1[N+](=O)[O-])N1CCOCC1)[*:1]
O=C(COc1ccccc1F)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1 Fc1ccccc1O[*:1] O=C(C[*:1])N1CCN(CC1)c1cc(c(F)cc1[N+](=O)[O-])N1CCOCC1
O=C(COc1ccccc1F)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1 Fc1ccccc1[*:1] O=C(CO[*:1])N1CCN(CC1)c1cc(c(F)cc1[N+](=O)[O-])N1CCOCC1
O=C(COc1ccccc1F)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(COc1ccccc1F)N1CCN(CC1)c1cc(c(F)cc1[*:1])N1CCOCC1
Cc1ccccc1-c1noc(CSCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)n1 Cc1ccccc1[*:1] C[C@@H]1[C@H](CCC[C@H]1C)NC(=O)CSCc1nc(no1)[*:1]
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccs1 c1csc(c1)[*:1] O=C(Cc1ccc(Cl)cc1)NN=C[*:1]
NC(=O)c1ccc(CNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)o1 NC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])N[C@H]1C[C@@H]1C1CCCCC1
NC(=O)c1ccc(CNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)o1 C1CCC(CC1)[*:1] NC(=O)c1ccc(CNC(=O)N[C@H]2C[C@H]2[*:1])o1
CCNC(=O)C[NH2+]Cc1cc(C#N)cs1 CCNC(=O)[*:1] N#Cc1csc(c1)C[NH2+]C[*:1]
CCn1cc(/C([O-])=N/S(=O)(=O)N2CCCC2)c(C(C)C)n1 CC(C)[*:1] CCn1cc(/C([O-])=N/S(=O)(=O)N2CCCC2)c(n1)[*:1]
C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1ccccc1 c1ccc(C[*:1])nc1 C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1
C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1ccccc1 c1ccc(nc1)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(C1)C[*:1])c1ccccc1
C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[*:1]
C[C@@H](NC(=O)CN(C)S(C)(=O)=O)c1ccccn1 CN(S(C)(=O)=O)[*:1] C[C@@H](NC(=O)C[*:1])c1ccccn1
C[C@@H](NC(=O)CN(C)S(C)(=O)=O)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[*:1]
CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(c1)[*:1]
CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(-c2ccoc2)c1 CNC(=O)[*:1] O=C(c1cccc(c1)-c1ccoc1)N1CCCC[C@@H]1[*:1]
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCOCC1)N1CCN(CC1)C[*:1]
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 O=S(=O)(N1CCOCC1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCOCC1)N1CCN(CC1)[*:1]
Cc1cnc(CN2CCN(c3ncccc3F)CC2)cn1 Fc1cccnc1[*:1] Cc1cnc(cn1)CN1CCN(CC1)[*:1]
Cc1cnc(CN2CCN(c3ncccc3F)CC2)cn1 Cc1cnc(cn1)[*:1] Fc1cccnc1N1CCN(CC1)C[*:1]
Fc1ccc(OC2CC[NH+](Cc3ccco3)CC2)c(F)c1 c1coc(c1)[*:1] Fc1ccc(OC2CC[NH+](CC2)C[*:1])c(F)c1
Fc1ccc(OC2CC[NH+](Cc3ccco3)CC2)c(F)c1 c1coc(c1)C[*:1] Fc1ccc(OC2CC[NH+](CC2)[*:1])c(F)c1
C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cccc(C#N)c1 Fc1ccc(c(F)c1)[*:1] C[C@@H](OC(=O)C1CCN(CC1)C(=O)[*:1])c1cccc(C#N)c1
C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](OC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1F)[*:1]
CCOc1ccc(OC(=O)c2ccc(O)cc2)cc1 CCO[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccc(O)cc1
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1ccncc1 Fc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NNC(=O)c1ccncc1
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1ccncc1 c1cc(ccn1)[*:1] CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)[*:1]
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1ccncc1 CC(C)[*:1] O=C(NNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)[*:1])c1ccncc1
CC(=O)N1CCN([C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)[C@H](CNS(=O)(=O)c1ccccc1)[*:1]
CC(=O)N1CCN([C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)[C@H](CNS(=O)(=O)[*:1])c1ccccc1
CC(=O)N1CCN([C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 CC(=O)N1CCN(CC1)[*:1] O=S(=O)(NC[C@H](c1ccccc1)[*:1])c1ccccc1
C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 O=[N+]([O-])[*:1] C[C@H]1CCCN(C1)C(=O)CSc1nnc(o1)-c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)Cc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)C[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)Cc2cccc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)CN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)Cc2cccc(C)c2)cc1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)[*:1]
N#Cc1ccc2ncc(CN3CC[C@@H](Oc4ccccc4Cl)C3)n2c1 Clc1ccccc1[*:1] N#Cc1ccc2ncc(CN3CC[C@H](C3)O[*:1])n2c1
N#Cc1ccc2ncc(CN3CC[C@@H](Oc4ccccc4Cl)C3)n2c1 Clc1ccccc1O[*:1] N#Cc1ccc2ncc(CN3CC[C@@H](C3)[*:1])n2c1
CC(C)OCC[NH+]1CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1 CC(C)OCC[*:1] O=C(CN1CC[NH+](CC1)[*:1])Nc1nc2CCCCc2s1
CC(C)OCC[NH+]1CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1 CC(C)[*:1] O=C(CN1CC[NH+](CCO[*:1])CC1)Nc1nc2CCCCc2s1
CC(C)OCC[NH+]1CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1 CC(C)OC[*:1] O=C(CN1CC[NH+](CC1)C[*:1])Nc1nc2CCCCc2s1
CC(C)OCC[NH+]1CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1 CC(C)O[*:1] O=C(CN1CC[NH+](CC1)CC[*:1])Nc1nc2CCCCc2s1
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccco1 Clc1ccc(cc1)[*:1] O=C(/C=C/c1ccc(o1)[*:1])c1ccco1
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccco1 O=C(c1ccco1)[*:1] Clc1ccc(cc1)-c1ccc(C=C[*:1])o1
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccco1 c1coc(c1)[*:1] O=C(/C=C/c1ccc(o1)-c1ccc(Cl)cc1)[*:1]
Cc1csc(SCc2nc3ccccc3[nH]c2=O)n1 Cc1csc(n1)[*:1] O=c1[nH]c2ccccc2nc1CS[*:1]
O=C1CC[C@@H](C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)N1 O=C1CC[C@@H](N1)[*:1] O=C(N1CCC[C@H]1c1cccc2OCCOc21)[*:1]
Cc1cccc(C[NH2+]C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)n1 Fc1cccc(C[*:1])c1F Cc1cccc(C[NH2+]C[C@]2(O)CCCN(C2=O)[*:1])n1
Cc1cccc(C[NH2+]C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)n1 Fc1cccc(c1F)[*:1] Cc1cccc(C[NH2+]C[C@]2(O)CCCN(C[*:1])C2=O)n1
Cc1cccc(C[NH2+]C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)n1 Cc1cccc(C[*:1])n1 O=C1N(CCC[C@@]1(O)C[NH2+][*:1])Cc1cccc(F)c1F
Cc1cccc(C[NH2+]C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)n1 Cc1cccc(n1)[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]C[*:1])Cc1cccc(F)c1F
C[C@H]1C[C@@H](N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)C(=O)O1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@H](C(=O)O1)N1CCC(CC1)NC(=O)N[*:1]
CCC(CC)N(C)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 CCC(CC)[*:1] CN(C(=O)Nc1cnc2CCN(Cc2c1)C(=O)OC(C)(C)C)[*:1]
CCC(CC)N(C)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 CC(C)(C)[*:1] CCC(CC)N(C)C(=O)Nc1cnc2CCN(Cc2c1)C(=O)O[*:1]
O=C(CSC[C@H](O)CO)c1ccc(O)cc1 OC[C@@H](O)C[*:1] O=C(CS[*:1])c1ccc(O)cc1
O=C(CSC[C@H](O)CO)c1ccc(O)cc1 OC[C@@H](O)[*:1] O=C(CSC[*:1])c1ccc(O)cc1
COCC[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1 COC[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)[C@H](C)C[*:1]
COCC[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1 COCC[C@@H](C)[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)[*:1]
COCC[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1 COCC[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)[C@H](C)[*:1]
COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 CS(=O)(=O)c1ccc(cc1)[*:1] COc1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 COc1ccccc1[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 CS(=O)(=O)[*:1] COc1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
N/C(=N/c1ccc2c(c1)CCC2)NCc1[nH+]ccn1CCc1ccccc1 c1cc2CCCc2cc1[*:1] NC(=N[*:1])NCc1[nH+]ccn1CCc1ccccc1
N/C(=N/c1ccc2c(c1)CCC2)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)CC[*:1] N/C(=N/c1ccc2CCCc2c1)NCc1[nH+]ccn1[*:1]
N/C(=N/c1ccc2c(c1)CCC2)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)[*:1] N/C(=N/c1ccc2CCCc2c1)NCc1[nH+]ccn1CC[*:1]
N/C(=N/c1ccc2c(c1)CCC2)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)C[*:1] N/C(=N/c1ccc2CCCc2c1)NCc1[nH+]ccn1C[*:1]
O=C(NCc1ccc2c(c1)OCO2)N1CCC(n2cccc2)CC1 c1ccn(c1)[*:1] O=C(NCc1ccc2OCOc2c1)N1CCC(CC1)[*:1]
Cn1c(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nnc1-c1ccccc1F Fc1ccccc1[*:1] Cn1c(nnc1[*:1])SCC(=O)N1CCN(CC1)c1cccc(Cl)c1
Cn1c(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nnc1-c1ccccc1F Clc1cccc(c1)[*:1] Cn1c(nnc1-c1ccccc1F)SCC(=O)N1CCN(CC1)[*:1]
CN(CC(=O)OCC1CCCCC1)c1ncc(C=O)cn1 C1CCC(CC1)C[*:1] CN(CC(=O)O[*:1])c1ncc(C=O)cn1
CN(CC(=O)OCC1CCCCC1)c1ncc(C=O)cn1 C1CCC(CC1)[*:1] CN(CC(=O)OC[*:1])c1ncc(C=O)cn1
Cc1ccccc1Cn1cc(NC(=S)N2CCC[C@H](C)C2)cn1 Cc1ccccc1[*:1] C[C@H]1CCCN(C1)C(=S)Nc1cnn(c1)C[*:1]
O=c1[nH]nc(CC2CC[NH+](CCC(F)(F)F)CC2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]nc(CC2CC[NH+](CC2)CCC(F)(F)F)n1[*:1]
O=c1[nH]nc(CC2CC[NH+](CCC(F)(F)F)CC2)n1-c1ccccc1 FC(F)(F)C[*:1] O=c1[nH]nc(CC2CC[NH+](CC2)C[*:1])n1-c1ccccc1
O=c1[nH]nc(CC2CC[NH+](CCC(F)(F)F)CC2)n1-c1ccccc1 FC(F)(F)[*:1] O=c1[nH]nc(CC2CC[NH+](CC2)CC[*:1])n1-c1ccccc1
O=c1[nH]nc(CC2CC[NH+](CCC(F)(F)F)CC2)n1-c1ccccc1 FC(F)(F)CC[*:1] O=c1[nH]nc(CC2CC[NH+](CC2)[*:1])n1-c1ccccc1
CC(C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 CC(C)NC(=O)[*:1] O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC(CC1)[*:1]
CC(C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 CC(C)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N(C)Cc2ccsc2)c1C COc1ccccc1[*:1] Cc1cc(=O)c(C(=O)N(C)Cc2ccsc2)c(C)n1CC[*:1]
COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N(C)Cc2ccsc2)c1C c1cc(cs1)[*:1] COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N(C)C[*:1])c1C
COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N(C)Cc2ccsc2)c1C c1cc(cs1)C[*:1] COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N(C)[*:1])c1C
COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N(C)Cc2ccsc2)c1C COc1ccccc1C[*:1] Cc1cc(=O)c(C(=O)N(C)Cc2ccsc2)c(C)n1C[*:1]
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCO2 Clc1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1[*:1])c1ccc2OCOc2c1
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccc(Cl)c2)N1CC[NH+]1CCCC1
COc1ccccc1C1(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)CC1 Cc1cc(n[nH]1)[*:1] COc1ccccc1C1(CC1)C(=O)N1CCC[C@H](C1)[*:1]
COc1ccccc1C1(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)CC1 COc1ccccc1[*:1] Cc1cc(n[nH]1)[C@H]1CCCN(C1)C(=O)C1(CC1)[*:1]
Cc1cc(C(=O)OCc2nc3ccccc3s2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)OCc1nc2ccccc2s1
COc1ccc(C(=O)/N=C2\S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2OCCOc2c1)[*:1]
COc1ccc(C(=O)/N=C2\S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc3c(c2)OCCO3)cc1 c1cc2OCCOc2cc1[*:1] COc1ccc(cc1)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
C[C@@H](CCl)CS(=O)(=O)N(Cc1ccc(F)cc1)C1CC1 C1CC1[*:1] C[C@@H](CCl)CS(=O)(=O)N(Cc1ccc(F)cc1)[*:1]
Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1N1CCOCC1 c1ccc2cc(ccc2c1)[*:1] Cc1ccccc1-n1c(nnc1N1CCOCC1)S[C@H](C)C(=O)N[*:1]
Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])S[C@H](C)C(=O)Nc1ccc2ccccc2c1
Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1N1CCOCC1 Cc1ccccc1[*:1] C[C@@H](Sc1nnc(N2CCOCC2)n1[*:1])C(=O)Nc1ccc2ccccc2c1
COc1cccc(NC(=O)/[NH+]=C2/N=N[C@H](c3ccccc3OC)S2)c1 COc1ccccc1[*:1] COc1cccc(c1)NC(=O)/[NH+]=C1/N=N[C@H](S1)[*:1]
COc1cccc(NC(=O)/[NH+]=C2/N=N[C@H](c3ccccc3OC)S2)c1 COc1cccc(c1)[*:1] COc1ccccc1[C@H]1N=N/C(=[NH+]/C(=O)N[*:1])S1
COc1cc(C(=O)N(C)Cc2ccccc2Br)cc(Cl)c1OC Brc1ccccc1[*:1] COc1cc(cc(Cl)c1OC)C(=O)N(C)C[*:1]
COc1ccc(-n2c(=S)[nH]cc(CC(=O)[O-])c2=O)cc1Cl O=C([O-])C[*:1] COc1ccc(cc1Cl)-n1c(=S)[nH]cc(c1=O)[*:1]
COc1ccc(-n2c(=S)[nH]cc(CC(=O)[O-])c2=O)cc1Cl O=C([O-])[*:1] COc1ccc(cc1Cl)-n1c(=S)[nH]cc(C[*:1])c1=O
C[C@H](NC(=O)Nc1cccnc1)c1ccc(Cl)s1 c1cncc(c1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)Nc1cccnc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)Nc1cccnc1)[*:1]
C[C@@]1(CNC(=O)Nc2cnn(CC(=O)[O-])c2)CCCO1 O=C([O-])[*:1] C[C@]1(CCCO1)CNC(=O)Nc1cnn(c1)C[*:1]
C[C@@]1(CNC(=O)Nc2cnn(CC(=O)[O-])c2)CCCO1 O=C([O-])C[*:1] C[C@]1(CCCO1)CNC(=O)Nc1cnn(c1)[*:1]
C[C@@]1(CNC(=O)Nc2cnn(CC(=O)[O-])c2)CCCO1 C[C@]1(CCCO1)[*:1] O=C([O-])Cn1cc(cn1)NC(=O)NC[*:1]
C[NH+](C)C[C@@](C)(O)CNC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] C[NH+](C)C[C@@](C)(O)CNC(=O)NCC(C)(C)[*:1]
CCCCOc1ccc(/C=C(/C)C=O)cc1 CCC[*:1] C/C(C=O)=C/c1ccc(cc1)OC[*:1]
CCCCOc1ccc(/C=C(/C)C=O)cc1 CC(C=O)=C[*:1] CCCCOc1ccc(cc1)[*:1]
CCCCOc1ccc(/C=C(/C)C=O)cc1 CCCC[*:1] C/C(C=O)=C/c1ccc(cc1)O[*:1]
CCCCOc1ccc(/C=C(/C)C=O)cc1 CCCCO[*:1] C/C(C=O)=C/c1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)CN2C(=O)CSc3sc(S(=O)(=O)N4CCCC4)cc32)cc1 Cc1ccc(cc1)C[*:1] O=C(CN1C(=O)CSc2sc(cc21)S(=O)(=O)N1CCCC1)N[*:1]
Cc1ccc(CNC(=O)CN2C(=O)CSc3sc(S(=O)(=O)N4CCCC4)cc32)cc1 Cc1ccc(cc1)[*:1] O=C(CN1C(=O)CSc2sc(cc21)S(=O)(=O)N1CCCC1)NC[*:1]
Cc1ccc(CNC(=O)CN2C(=O)CSc3sc(S(=O)(=O)N4CCCC4)cc32)cc1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(cc1)CNC(=O)CN1C(=O)CSc2sc(cc21)[*:1]
COC(=O)c1cc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc([N+](=O)[O-])c1 COC(=O)[*:1] O=C(Nc1nc2-c3ccccc3CCc2s1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
COC(=O)c1cc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cc(cc(c1)[*:1])C(=O)Nc1nc2-c3ccccc3CCc2s1
COc1cc(/C=N/NC(C)=O)ccc1OC/C=C/c1ccccc1 c1ccc(cc1)[*:1] COc1cc(/C=N/NC(C)=O)ccc1OCC=C[*:1]
COc1cc(/C=N/NC(C)=O)ccc1OC/C=C/c1ccccc1 CC(=O)NN=C[*:1] COc1cc(ccc1OC/C=C/c1ccccc1)[*:1]
COc1cc(/C=N/NC(C)=O)ccc1OC/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 COc1cc(/C=N/NC(C)=O)ccc1OC[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)[nH+]c2)no1 Clc1ccc(cc1)O[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)C[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)[nH+]c2)no1 Clc1ccc(cc1)OC[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)[nH+]c2)no1 Clc1ccc(cc1)[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)CO[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)[nH+]c2)no1 Cc1nc(no1)[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
Cc1ccc(-c2cc(Nc3cccc(C(=O)NC[C@@H]4CCCO4)c3)ncn2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)c1cccc(c1)Nc1cc(ncn1)[*:1]
Cc1ccc(-c2cc(Nc3cccc(C(=O)NC[C@@H]4CCCO4)c3)ncn2)cc1 O=C(NC[C@@H]1CCCO1)[*:1] Cc1ccc(cc1)-c1cc(ncn1)Nc1cccc(c1)[*:1]
CC1(C[NH2+]C2CC(c3ccccc3Cl)C2)COC1 CC1(COC1)[*:1] Clc1ccccc1C1CC(C1)[NH2+]C[*:1]
O=C1CNC(=O)N1CCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 O=C1CNC(=O)N1C[*:1] O=C(CC[*:1])N1CCC[C@@H]1c1nc2ccccc2s1
O=C1CNC(=O)N1CCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 O=C1CNC(=O)N1[*:1] O=C(CCC[*:1])N1CCC[C@@H]1c1nc2ccccc2s1
Cc1ccccc1NC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 Cc1ccccc1[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)N1CCOCC1)SCC(=O)N[*:1]
Cc1ccccc1NC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 Cc1ccccc1NC(=O)[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)N1CCOCC1)SC[*:1]
Cc1ccccc1NC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 C1CN(CCO1)[*:1] Cc1ccccc1NC(=O)CSc1nc(c2COC(C)(C)Cc2c1C#N)[*:1]
Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)c1 Cc1cccc(c1)NS(=O)(=O)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)c1cc(ccc1Cl)[*:1]
Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)c1 Cc1cccc(c1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)c1cc(ccc1Cl)S(=O)(=O)N[*:1]
Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NC1CC[NH+](CC1)[*:1]
Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NC1CC[NH+](CC1)C[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 NC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 NC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(CC(=O)OC2c3ccccc3-c3ccccc32)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])OC1c2ccccc2-c2ccccc21
Cc1nc(CC(=O)OC2c3ccccc3-c3ccccc32)cs1 Cc1nc(cs1)C[*:1] O=C(OC1c2ccccc2-c2ccccc21)[*:1]
COCc1ccc(CNc2ncnc3ccsc23)cc1 COC[*:1] c1nc(NCc2ccc(cc2)[*:1])c2sccc2n1
CC[NH2+][C@]1(C(=O)OC)CCC[C@@H](SCc2ccccc2)C1 COC(=O)[*:1] CC[NH2+][C@@]1(CCC[C@H](C1)SCc1ccccc1)[*:1]
CC[NH2+][C@]1(C(=O)OC)CCC[C@@H](SCc2ccccc2)C1 c1ccc(cc1)C[*:1] CC[NH2+][C@@]1(CCC[C@H](C1)S[*:1])C(=O)OC
CC[NH2+][C@]1(C(=O)OC)CCC[C@@H](SCc2ccccc2)C1 c1ccc(cc1)[*:1] CC[NH2+][C@@]1(CCC[C@H](C1)SC[*:1])C(=O)OC
Cc1noc(C)c1C[NH2+]Cc1cc(C(N)=O)ccc1F NC(=O)[*:1] Cc1noc(C)c1C[NH2+]Cc1cc(ccc1F)[*:1]
C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1 Clc1cccc(c1Cl)[*:1] C[C@@H](CC(=O)N1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1
C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1Cl
C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1Cl)[*:1]
C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1 C[C@@H](C[*:1])c1ccccc1 O=C(N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1Cl)[*:1]
CCC(O)(CC)CNC(=O)c1cccc(SCC#N)c1 N#CC[*:1] CCC(O)(CC)CNC(=O)c1cccc(c1)S[*:1]
CCC(O)(CC)CNC(=O)c1cccc(SCC#N)c1 N#CCS[*:1] CCC(O)(CC)CNC(=O)c1cccc(c1)[*:1]
CCC(O)(CC)CNC(=O)c1cccc(SCC#N)c1 CCC(O)(CC)[*:1] N#CCSc1cccc(c1)C(=O)NC[*:1]
C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)C(C)(C)C C[C@H](C(C)(C)C)[*:1] O[C@H]1CCCC[C@@H]1N1CCC(CC1)[NH2+][*:1]
C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)C(C)(C)C CC(C)(C)[*:1] C[C@H]([NH2+]C1CCN(CC1)[C@H]1CCCC[C@@H]1O)[*:1]
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2NCc2ccco2)c1 c1coc(c1)C[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccccc1N[*:1]
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2NCc2ccco2)c1 c1coc(c1)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccccc1NC[*:1]
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2NCc2ccco2)c1 c1coc(c1)CN[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccccc1[*:1]
OCCOc1cccc2cc[nH]c12 OCC[*:1] c1cc(O[*:1])c2[nH]ccc2c1
OCCOc1cccc2cc[nH]c12 OCCO[*:1] c1cc(c2[nH]ccc2c1)[*:1]
O=C(Nc1cccc(Cl)c1)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 Clc1cccc(c1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21)N[*:1]
O=C(Nc1cccc(Cl)c1)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 c1ccc(cc1)C[*:1] O=C(Nc1cccc(Cl)c1)N[C@@H](C(=O)N1CCc2ccccc21)[*:1]
O=C(Nc1cccc(Cl)c1)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 c1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)N[C@@H](C[*:1])C(=O)N1CCc2ccccc21
COc1ccc(-c2noc(CSc3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc(CS[*:1])n1
CCOc1ccccc1CNC(=O)N(C1CC1)[C@@H](C)C1CC1 C1CC1[*:1] CCOc1ccccc1CNC(=O)N(C1CC1)[C@@H](C)[*:1]
CCOc1ccccc1CNC(=O)N(C1CC1)[C@@H](C)C1CC1 CCO[*:1] C[C@@H](C1CC1)N(C(=O)NCc1ccccc1[*:1])C1CC1
CCOc1ccccc1CNC(=O)N(C1CC1)[C@@H](C)C1CC1 C1CC1[*:1] CCOc1ccccc1CNC(=O)N([C@@H](C)C1CC1)[*:1]
CC(C)(C)[S@](=O)CCNC(=O)c1ccccc1Sc1ccccc1C#N CC(C)(C)[*:1] N#Cc1ccccc1Sc1ccccc1C(=O)NCC[S@@](=O)[*:1]
CC(C)(C)[S@](=O)CCNC(=O)c1ccccc1Sc1ccccc1C#N N#Cc1ccccc1[*:1] CC(C)(C)[S@](=O)CCNC(=O)c1ccccc1S[*:1]
CCN1CC(=O)N(CC(N)=O)CC1=O NC(=O)C[*:1] CCN1CC(=O)N(CC1=O)[*:1]
CCN1CC(=O)N(CC(N)=O)CC1=O NC(=O)[*:1] CCN1CC(=O)N(CC1=O)C[*:1]
CC(=O)Nc1ccc(SCc2ccc(C(=O)N3CCCC3)cc2)cc1 O=C(N1CCCC1)[*:1] CC(=O)Nc1ccc(cc1)SCc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(SCc2ccc(C(=O)N3CCCC3)cc2)cc1 CC(=O)N[*:1] O=C(c1ccc(cc1)CSc1ccc(cc1)[*:1])N1CCCC1
C[C@H](O)CCNC(=O)c1c(F)ccc(N)c1F C[C@H](O)C[*:1] Nc1ccc(F)c(C(=O)NC[*:1])c1F
C[C@H](O)CCNC(=O)c1c(F)ccc(N)c1F C[C@H](O)[*:1] Nc1ccc(F)c(C(=O)NCC[*:1])c1F
C[C@H](O)CCNC(=O)c1c(F)ccc(N)c1F C[C@H](O)CC[*:1] Nc1ccc(F)c(C(=O)N[*:1])c1F
Cc1c(Cl)cccc1NC(=O)c1csc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] Cc1c(Cl)cccc1NC(=O)c1csc(c1)[*:1]
COc1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] Clc1cccc(c1)[*:1] COc1ccc(cc1[N+](=O)[O-])CS(=O)(=O)C[*:1]
COc1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CS(=O)(=O)Cc1cccc(Cl)c1
Cc1csc(=O)n1CCC(=O)Oc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] Cc1csc(=O)n1CCC(=O)Oc1ccc(cc1)[*:1]
Cc1csc(=O)n1CCC(=O)Oc1ccc(Oc2ccccc2)cc1 Cc1csc(=O)n1[*:1] O=C(CC[*:1])Oc1ccc(cc1)Oc1ccccc1
Cc1csc(=O)n1CCC(=O)Oc1ccc(Oc2ccccc2)cc1 Cc1csc(=O)n1C[*:1] O=C(C[*:1])Oc1ccc(cc1)Oc1ccccc1
Cc1csc(=O)n1CCC(=O)Oc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1csc(=O)n1CCC(=O)Oc1ccc(cc1)O[*:1]
C#CC(CC)(CC)NC(=O)CSc1nnnn1-c1ccc(C)cc1 C#CC(CC)(CC)[*:1] Cc1ccc(cc1)-n1nnnc1SCC(=O)N[*:1]
C#CC(CC)(CC)NC(=O)CSc1nnnn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] C#CC(CC)(CC)NC(=O)CSc1nnnn1[*:1]
CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)Nc3ccc(Br)cc32)C(C#N)=C(N)O1 CC(C)OC(=O)[*:1] CC1OC(N)=C(C#N)[C@]2(C(=O)Nc3ccc(Br)cc32)C=1[*:1]
CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)Nc3ccc(Br)cc32)C(C#N)=C(N)O1 CC(C)[*:1] CC1OC(N)=C(C#N)[C@]2(C(=O)Nc3ccc(Br)cc32)C=1C(=O)O[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 FC(F)(F)[*:1] Cc1ocnc1CNC(=O)C(=O)Nc1ccc(nc1)OC[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 FC(F)(F)CO[*:1] Cc1ocnc1CNC(=O)C(=O)Nc1ccc(nc1)[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 Cc1ocnc1C[*:1] O=C(Nc1ccc(nc1)OCC(F)(F)F)C(=O)N[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 Cc1ocnc1[*:1] O=C(NC[*:1])C(=O)Nc1ccc(nc1)OCC(F)(F)F
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 FC(F)(F)C[*:1] Cc1ocnc1CNC(=O)C(=O)Nc1ccc(nc1)O[*:1]
CC[NH2+][C@@H](Cc1cccs1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[NH2+][C@@H](Cc1cccs1)[C@H]1CCC[C@H](C1)[*:1]
CC[NH2+][C@@H](Cc1cccs1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 c1csc(c1)C[*:1] CC[NH2+][C@@H]([C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC[NH2+][C@@H](Cc1cccs1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 c1csc(c1)[*:1] CC[NH2+][C@@H](C[*:1])[C@H]1CCC[C@@H](C1)S(C)(=O)=O
O=C(NCCCc1nnc2n1CCCC2)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NCCCc1nnc2CCCCn21)Nc1ccc(cc1)[*:1]
COc1cc(/C=C/c2cc(=O)c3ccccc3[nH]2)c(O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cc(/C=C/c2cc(=O)c3ccccc3[nH]2)c(O)c(c1)[*:1]
CC(C)c1csc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)n1 CC(C)c1csc(C[*:1])n1 Fc1cc(F)cc(c1)-n1ncc2c1CCC[C@H]2[NH2+][*:1]
CC(C)c1csc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)n1 CC(C)[*:1] Fc1cc(F)cc(c1)-n1ncc2c1CCC[C@H]2[NH2+]Cc1nc(cs1)[*:1]
CC(C)c1csc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)n1 Fc1cc(F)cc(c1)[*:1] CC(C)c1csc(C[NH2+][C@@H]2CCCc3c2cnn3[*:1])n1
CC(C)c1csc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)n1 CC(C)c1csc(n1)[*:1] Fc1cc(F)cc(c1)-n1ncc2c1CCC[C@H]2[NH2+]C[*:1]
CCOC(=O)c1[nH]c(C)c(C(=O)/N=c2\[nH]c(C)c(C(=O)OCC)s2)c1C CCOC(=O)[*:1] CCOC(=O)c1[nH]c(C)c(C(=O)/N=c2\[nH]c(C)c(s2)[*:1])c1C
CCOC(=O)c1[nH]c(C)c(C(=O)/N=c2\[nH]c(C)c(C(=O)OCC)s2)c1C CCOC(=O)[*:1] CCOC(=O)c1s/c(=N/C(=O)c2c(C)[nH]c(c2C)[*:1])[nH]c1C
CC[C@@](C)(NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NS(=O)(=O)c1ccc(F)c(F)c1)[*:1]
CCOc1cccc(CCNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1 CCO[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)NCCc1cccc(c1)[*:1]
CCCc1sc(C(=O)O[C@H](C)C(N)=O)cc1CC CCC[*:1] CCc1cc(sc1[*:1])C(=O)O[C@H](C)C(N)=O
CCCc1sc(C(=O)O[C@H](C)C(N)=O)cc1CC C[C@H](C(N)=O)[*:1] CCCc1sc(cc1CC)C(=O)O[*:1]
CCCc1sc(C(=O)O[C@H](C)C(N)=O)cc1CC NC(=O)[*:1] CCCc1sc(cc1CC)C(=O)O[C@H](C)[*:1]
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccccc3)c12 CC(C)(C)[*:1] Cc1nn(c2nc(cc(C(=O)N(C)Cc3ccccc3)c12)C1CC1)[*:1]
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccccc3)c12 c1ccc(cc1)[*:1] Cc1nn(c2nc(cc(C(=O)N(C)C[*:1])c12)C1CC1)C(C)(C)C
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccccc3)c12 c1ccc(cc1)C[*:1] Cc1nn(c2nc(cc(C(=O)N(C)[*:1])c12)C1CC1)C(C)(C)C
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccccc3)c12 C1CC1[*:1] Cc1nn(c2nc(cc(C(=O)N(C)Cc3ccccc3)c12)[*:1])C(C)(C)C
Cc1nn(CCC(=O)NN)cc1[N+](=O)[O-] NNC(=O)[*:1] Cc1nn(cc1[N+](=O)[O-])CC[*:1]
Cc1nn(CCC(=O)NN)cc1[N+](=O)[O-] NNC(=O)C[*:1] Cc1nn(cc1[N+](=O)[O-])C[*:1]
Cc1nn(CCC(=O)NN)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(cc1[*:1])CCC(=O)NN
CNC(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1Cl CNC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1ccc(F)cc1Cl
O=C(CCc1ccccc1)Nc1cc(Cl)ccc1C(F)(F)F c1ccc(cc1)C[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1C(F)(F)F
O=C(CCc1ccccc1)Nc1cc(Cl)ccc1C(F)(F)F FC(F)(F)[*:1] O=C(CCc1ccccc1)Nc1cc(Cl)ccc1[*:1]
O=C(CCc1ccccc1)Nc1cc(Cl)ccc1C(F)(F)F c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1cc(Cl)ccc1C(F)(F)F
O=C(c1ccc2c(c1)OCCO2)N1CCC([C@@H]2N=NC=C2CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc2OCCOc2c1)N1CCC(CC1)[C@@H]1N=NC=C1CC[*:1]
O=C(c1ccc2c(c1)OCCO2)N1CCC([C@@H]2N=NC=C2CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(c1ccc2OCCOc2c1)N1CCC(CC1)[C@@H]1N=NC=C1[*:1]
O=C(c1ccc2c(c1)OCCO2)N1CCC([C@@H]2N=NC=C2CCc2ccccc2)CC1 c1cc2OCCOc2cc1[*:1] O=C(N1CCC(CC1)[C@@H]1N=NC=C1CCc1ccccc1)[*:1]
O=C(c1ccc2c(c1)OCCO2)N1CCC([C@@H]2N=NC=C2CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc2OCCOc2c1)N1CCC(CC1)[C@@H]1N=NC=C1C[*:1]
CCOc1ccccc1NC(=O)c1c(Cl)cnn1C CCO[*:1] Cn1ncc(Cl)c1C(=O)Nc1ccccc1[*:1]
COC(=O)[C@H]1CCN(C(=O)CCC(C)(C)c2ccccc2)C1 COC(=O)[*:1] CC(C)(CCC(=O)N1CC[C@@H](C1)[*:1])c1ccccc1
COC(=O)[C@H]1CCN(C(=O)CCC(C)(C)c2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)[C@H]1CCN(C1)C(=O)CCC(C)(C)[*:1]
COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])N1CCC[C@@H]1c1cccc(Br)c1
COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] COc1ccc(cc1)CCC(=O)N1CCC[C@H]1[*:1]
Cc1ccc(NC(=O)C[C@@H](C)n2cccn2)c(Br)c1 c1cnn(c1)[*:1] Cc1ccc(NC(=O)C[C@@H](C)[*:1])c(Br)c1
N#C[C@@H]1CN(C(=O)[C@H]2CCSC2)CCO1 C1C[C@@H](CS1)[*:1] N#C[C@@H]1CN(CCO1)C(=O)[*:1]
C[C@@H](NC(=O)C(C)(C)C)c1ccncc1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])c1ccncc1
C[C@@H](Nc1ncnc2c1CCCCC2)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Nc1ncnc2CCCCCc21)[*:1]
CCOc1ccc(N(C)C(=O)CCCn2ccnn2)cc1 c1cn(CC[*:1])nn1 CCOc1ccc(cc1)N(C)C(=O)C[*:1]
CCOc1ccc(N(C)C(=O)CCCn2ccnn2)cc1 c1cn(nn1)[*:1] CCOc1ccc(cc1)N(C)C(=O)CCC[*:1]
CCOc1ccc(N(C)C(=O)CCCn2ccnn2)cc1 c1cn(C[*:1])nn1 CCOc1ccc(cc1)N(C)C(=O)CC[*:1]
CCOc1ccc(N(C)C(=O)CCCn2ccnn2)cc1 CCO[*:1] CN(C(=O)CCCn1ccnn1)c1ccc(cc1)[*:1]
CSCc1ccc(CNn2c(C)ccc2C)o1 CSC[*:1] Cc1ccc(C)n1NCc1ccc(o1)[*:1]
C[C@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1Cl C1CC1[*:1] C[C@H](NC(=O)Nc1cccc(c1)NC(=O)[*:1])c1ccc(Cl)cc1Cl
C[C@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1Cl O=C(N[*:1])C1CC1 C[C@H](NC(=O)Nc1cccc(c1)[*:1])c1ccc(Cl)cc1Cl
C[C@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)Nc1cccc(c1)NC(=O)C1CC1)[*:1]
CN[C@](C)(C(=O)OC)c1cc(F)c(C)cc1F COC(=O)[*:1] CN[C@](C)(c1cc(F)c(C)cc1F)[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)N/C(=N\N=C(\C)c3ccccc3)S2)cc1 COc1ccc(cc1)[*:1] C/C(=N/N=C1\NC(=O)C[C@@H](S1)C(=O)N[*:1])c1ccccc1
COc1ccc(NC(=O)[C@H]2CC(=O)N/C(=N\N=C(\C)c3ccccc3)S2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CC(=O)N/C(=N\N=C(C)[*:1])S1
Cc1cccc(C(CO)(CO)Cc2cc(C)ccc2C)c1 Cc1cccc(c1)[*:1] Cc1ccc(C)c(c1)CC(CO)(CO)[*:1]
CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 CNC(=O)C[*:1] COc1ccc(cc1)S(=O)(=O)N(c1ccc(C)cc1)[*:1]
CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 Cc1ccc(cc1)[*:1] CNC(=O)CN(S(=O)(=O)c1ccc(cc1)OC)[*:1]
CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)[*:1]
CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 CNC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccc(C)cc1
C[C@@H](NC(=O)CN1CCSC1=O)c1ccc2c(c1)OCCCO2 O=C1SCCN1[*:1] C[C@@H](NC(=O)C[*:1])c1ccc2OCCCOc2c1
C[C@@H](NC(=O)CN1CCSC1=O)c1ccc2c(c1)OCCCO2 O=C1SCCN1C[*:1] C[C@@H](NC(=O)[*:1])c1ccc2OCCCOc2c1
CCC[NH+](CC(=O)N(C)c1nc2ccccc2s1)CC1CC1 C1CC1C[*:1] CCC[NH+](CC(=O)N(C)c1nc2ccccc2s1)[*:1]
CCC[NH+](CC(=O)N(C)c1nc2ccccc2s1)CC1CC1 CCC[*:1] CN(C(=O)C[NH+](CC1CC1)[*:1])c1nc2ccccc2s1
CCC[NH+](CC(=O)N(C)c1nc2ccccc2s1)CC1CC1 C1CC1[*:1] CCC[NH+](CC(=O)N(C)c1nc2ccccc2s1)C[*:1]
CCOC(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1 N#CC1(CCCC1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[*:1]
CCOC(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1 CCOC(=O)[*:1] N#CC1(CCCC1)C(=O)Nc1ccc(cc1)[*:1]
CCCn1c(C[C@H]2CCCCO2)nc2cc(C[NH3+])ccc21 C1CC[C@@H](OC1)[*:1] CCCn1c(C[*:1])nc2cc(ccc21)C[NH3+]
CCCn1c(C[C@H]2CCCCO2)nc2cc(C[NH3+])ccc21 CCC[*:1] [NH3+]Cc1ccc2c(c1)nc(C[C@H]1CCCCO1)n2[*:1]
CCCn1c(C[C@H]2CCCCO2)nc2cc(C[NH3+])ccc21 C1CC[C@H](C[*:1])OC1 CCCn1c(nc2cc(ccc21)C[NH3+])[*:1]
COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O COc1ccc(Cl)cc1[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)N[C@@](C)(C1=O)c1ccc2CCCc2c1
COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O c1cc2CCCc2cc1[*:1] COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)N[C@](C)(C1=O)[*:1]
CCCN(CC(C)(C)C[NH3+])c1ncnc2ccsc12 CCC[*:1] CC(C)(C[NH3+])CN(c1ncnc2ccsc12)[*:1]
O=C(Nc1ccccc1)c1cc(Br)cn(Cc2cccc(C(F)(F)F)c2)c1=O O=C(Nc1ccccc1)[*:1] O=c1c(cc(Br)cn1Cc1cccc(c1)C(F)(F)F)[*:1]
O=C(Nc1ccccc1)c1cc(Br)cn(Cc2cccc(C(F)(F)F)c2)c1=O FC(F)(F)[*:1] O=C(Nc1ccccc1)c1cc(Br)cn(Cc2cccc(c2)[*:1])c1=O
O=C(Nc1ccccc1)c1cc(Br)cn(Cc2cccc(C(F)(F)F)c2)c1=O c1ccc(cc1)[*:1] O=C(N[*:1])c1cc(Br)cn(Cc2cccc(c2)C(F)(F)F)c1=O
CC(=O)CC(=O)N[C@H](C)CCCO CC(=O)[*:1] C[C@H](CCCO)NC(=O)C[*:1]
CC(=O)CC(=O)N[C@H](C)CCCO OCCC[*:1] CC(=O)CC(=O)N[C@H](C)[*:1]
CC(=O)CC(=O)N[C@H](C)CCCO OCC[*:1] CC(=O)CC(=O)N[C@H](C)C[*:1]
CC(=O)CC(=O)N[C@H](C)CCCO CC(=O)C[*:1] C[C@H](CCCO)NC(=O)[*:1]
C[NH+]1CCN([C@H](CNC(=O)Nc2ccccc2)c2ccsc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)N[*:1])c1ccsc1
C[NH+]1CCN([C@H](CNC(=O)Nc2ccccc2)c2ccsc2)CC1 c1cc(cs1)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)Nc1ccccc1)[*:1]
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)n(-c2ccnn2C(C)C)c1C CC(C)[*:1] C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)n(-c2ccnn2[*:1])c1C
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)n(-c2ccnn2C(C)C)c1C CC(C)n1nccc1[*:1] C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)n(c1C)[*:1]
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)n(-c2ccnn2C(C)C)c1C C=CC[*:1] Cc1cc(c(C)n1-c1ccnn1C(C)C)[C@H]1Nc2ccccc2C(=O)N1[*:1]
CC(C)OC(=O)CCNC(=O)Nc1cccc(C(F)(F)F)c1 CC(C)[*:1] O=C(NCCC(=O)O[*:1])Nc1cccc(c1)C(F)(F)F
CC(C)OC(=O)CCNC(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)OC(=O)CCNC(=O)Nc1cccc(c1)[*:1]
CC(C)OC(=O)CCNC(=O)Nc1cccc(C(F)(F)F)c1 CC(C)OC(=O)[*:1] O=C(NCC[*:1])Nc1cccc(c1)C(F)(F)F
CC(C)OC(=O)CCNC(=O)Nc1cccc(C(F)(F)F)c1 CC(C)OC(=O)C[*:1] O=C(NC[*:1])Nc1cccc(c1)C(F)(F)F
COC[C@@H](C)CNc1cc(C)ccc1N COC[*:1] Cc1ccc(N)c(c1)NC[C@H](C)[*:1]
COC[C@@H](C)CNc1cc(C)ccc1N COC[C@@H](C)[*:1] Cc1ccc(N)c(c1)NC[*:1]
COc1cc(Cl)c(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC O=[N+]([O-])[*:1] COc1cc(Cl)c(C)cc1NC(=O)c1cc(ccc1OC)[*:1]
Cn1nc(Br)c2c(N[C@@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)ncnc21 O=[N+]([O-])[*:1] Cn1nc(Br)c2c(ncnc21)N[C@@H](CO)[C@@H](O)c1ccc(cc1)[*:1]
Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)c2cccc(Cl)c2)C3)n1 Clc1cccc(c1)[*:1] Cc1cnc(C)c(n1)-c1ccc(F)c2C[C@@H](CNC(=O)[*:1])Oc12
Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)c2cccc(Cl)c2)C3)n1 Cc1cnc(C)c(n1)[*:1] O=C(NC[C@@H]1Cc2c(F)ccc(c2O1)[*:1])c1cccc(Cl)c1
O=C(CSc1nc2ccccc2n1C(F)F)N[C@H]1CCS(=O)(=O)C1 FC(F)[*:1] O=C(CSc1nc2ccccc2n1[*:1])N[C@H]1CCS(=O)(=O)C1
c1ccc(-c2nnc(NCc3nc(-c4ccco4)n[nH]3)s2)cc1 c1coc(c1)[*:1] c1ccc(cc1)-c1nnc(NCc2nc(n[nH]2)[*:1])s1
c1ccc(-c2nnc(NCc3nc(-c4ccco4)n[nH]3)s2)cc1 c1ccc(cc1)[*:1] c1coc(c1)-c1n[nH]c(CNc2nnc(s2)[*:1])n1
CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 CNC(=O)[*:1] Cc1cc2OCCC[C@@H]([NH2+][C@H]3CCCC[C@@H]3[*:1])c2cc1C
CC[C@H](CCO)[NH2+]Cc1cc(Br)ccc1OC OCC[*:1] CC[C@H]([NH2+]Cc1cc(Br)ccc1OC)[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1COc2ccccc2O1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1Br)[*:1])[C@H]1COc2ccccc2O1
NC(=O)[C@H]1CCCN(C(=S)NCc2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CCCN(C1)C(=S)NC[*:1]
NC(=O)[C@H]1CCCN(C(=S)NCc2ccccc2)C1 NC(=O)[*:1] S=C(NCc1ccccc1)N1CCC[C@@H](C1)[*:1]
CSCc1csc(NC(=O)c2cc(Cl)ccc2Cl)n1 CSC[*:1] O=C(Nc1nc(cs1)[*:1])c1cc(Cl)ccc1Cl
CN(Cc1nc(COc2ccc(F)cc2)no1)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1nc(COc2ccc(F)cc2)no1)[*:1]
CN(Cc1nc(COc2ccc(F)cc2)no1)c1ccccc1 Fc1ccc(cc1)[*:1] CN(Cc1nc(CO[*:1])no1)c1ccccc1
Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)c1 FC(F)(F)[*:1] Cc1cnn(c1)[C@@H]1CCCN(C1)C(=O)[C@@H]1CCCC[C@H]1[*:1]
Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)c1 Cc1cnn(c1)[*:1] O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC[C@H](C1)[*:1]
CCN(C)c1cccc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CCN(C)c1cccc(c1)NC(=O)C[C@@H](O)[*:1]
CCN(C)c1cccc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)c1 CCN(C)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1cccc(c1)[*:1]
C[C@H](Sc1ccc(Cl)cc1N)[C@H](C)C(=O)NN NNC(=O)[*:1] C[C@H](Sc1ccc(Cl)cc1N)[C@H](C)[*:1]
CCO[C@@H](C)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] CCO[C@@H](C)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
CCO[C@@H](C)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CCO[*:1] C[C@@H](C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)[*:1]
CCO[C@@H](C)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CCO[C@@H](C)[*:1] Cn1c(nc2cc(ccc21)NC(=O)[*:1])C1CC1
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@H]2SCCc3ccccc32)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1SCCc2ccccc21)[*:1]
CCCCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 CCCCC[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(C1)C1CC1)[*:1]
CCCCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 CCC[*:1] C[C@@H](CC[*:1])NC(=O)[C@@H]1CC(=O)N(C1)C1CC1
CCCCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 CCCC[*:1] C[C@@H](C[*:1])NC(=O)[C@@H]1CC(=O)N(C1)C1CC1
CCCCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CCCCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1-n1ncc(C(=O)Cl)c1C O=C(Cl)[*:1] Cc1ccccc1-n1ncc(c1C)[*:1]
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCC1(c2ccccc2)CCC1 C1CN(CCO1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)NCC1(CCC1)c1ccccc1)[*:1]
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)NCC1(CCC1)[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCC1(c2ccccc2)CCC1 c1ccc(cc1)C1(CCC1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)NC[*:1])N1CCOCC1
COc1ccc(Br)cc1CNc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] COc1ccc(Br)cc1CNc1ccc(cc1)[*:1]
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1F CCOC(=O)[*:1] CC1NC(=O)N[C@@H](C=1[*:1])c1ccccc1F
CSc1nc2nc(C)c3c(=O)n(C[C@H]4CCCO4)ccc3n2n1 C1CO[C@H](C1)[*:1] CSc1nc2nc(C)c3c(=O)n(ccc3n2n1)C[*:1]
CSc1nc2nc(C)c3c(=O)n(C[C@H]4CCCO4)ccc3n2n1 C1CO[C@H](C1)C[*:1] CSc1nc2nc(C)c3c(=O)n(ccc3n2n1)[*:1]
CCOC(=O)c1c(C)oc2ncnc(Nc3cccc(OC)c3)c12 COc1cccc(c1)[*:1] CCOC(=O)c1c(C)oc2ncnc(N[*:1])c12
CCOC(=O)c1c(C)oc2ncnc(Nc3cccc(OC)c3)c12 CCOC(=O)[*:1] COc1cccc(c1)Nc1ncnc2oc(C)c(c12)[*:1]
Cc1nnc2ccc(N3CCN(Cc4cnc(-c5cccs5)s4)CC3)nn12 c1csc(c1)[*:1] Cc1nnc2ccc(nn12)N1CCN(CC1)Cc1cnc(s1)[*:1]
CC(=O)CNC(=O)[C@H](C)Sc1ccccn1 CC(=O)C[*:1] C[C@H](Sc1ccccn1)C(=O)N[*:1]
CC(=O)CNC(=O)[C@H](C)Sc1ccccn1 CC(=O)[*:1] C[C@H](Sc1ccccn1)C(=O)NC[*:1]
CC(C)(CNC(=O)NCCc1ccc2c(c1)OCO2)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)NCCc1ccc2OCOc2c1)[*:1]
CS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2C2[NH+]=c3ccccc3=[NH+]2)cc1 CS(=O)(=O)[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccccc1C1[NH+]=c2ccccc2=[NH+]1
CCOc1ccc([C@@H](C)NC(=O)Nc2ccncc2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])[C@@H](C)NC(=O)Nc1ccncc1
CCOc1ccc([C@@H](C)NC(=O)Nc2ccncc2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])[C@@H](C)NC(=O)Nc1ccncc1
CCOc1ccc([C@@H](C)NC(=O)Nc2ccncc2)cc1OCC c1cc(ccn1)[*:1] CCOc1ccc(cc1OCC)[C@@H](C)NC(=O)N[*:1]
CCCN(CC)S(=O)(=O)c1ccc(C(=O)[O-])o1 CCC[*:1] CCN(S(=O)(=O)c1ccc(o1)C(=O)[O-])[*:1]
CCCN(CC)S(=O)(=O)c1ccc(C(=O)[O-])o1 O=C([O-])[*:1] CCCN(CC)S(=O)(=O)c1ccc(o1)[*:1]
Cc1nc(CN2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(c1cc(on1)-c1cccnc1)N1CCN(CC1)[*:1]
Cc1nc(CN2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)cs1 c1cncc(c1)[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)c1cc(on1)[*:1]
Cc1nc(CN2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(c1cc(on1)-c1cccnc1)N1CCN(CC1)C[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C)n2)c1 CCNS(=O)(=O)[*:1] Cc1cccc(n1)NC(=O)c1cc(ccc1C)[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C)n2)c1 Cc1cccc(n1)[*:1] CCNS(=O)(=O)c1ccc(C)c(c1)C(=O)N[*:1]
Cc1cc(C)c(NC(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)c(Cl)c1 C1CC1n1nnnc1[*:1] Cc1cc(C)c(NC(=O)CNc2ccc(cc2)[*:1])c(Cl)c1
Cc1cc(C)c(NC(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)c(Cl)c1 C1CC1[*:1] Cc1cc(C)c(NC(=O)CNc2ccc(cc2)-c2nnnn2[*:1])c(Cl)c1
Cc1cc(C)c(NC(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)c(Cl)c1 Cc1cc(C)c(c(Cl)c1)[*:1] O=C(CNc1ccc(cc1)-c1nnnn1C1CC1)N[*:1]
Cc1ccoc1C(=O)NC[C@@H](C)N1CCOCC1 Cc1ccoc1[*:1] C[C@H](CNC(=O)[*:1])N1CCOCC1
Cc1ccoc1C(=O)NC[C@@H](C)N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccoc1C(=O)NC[C@@H](C)[*:1]
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[*:1]
Cc1nc(C2CC[NH2+]CC2)cc(N(C)CCN2CCCCC2=O)n1 O=C1CCCCN1[*:1] Cc1nc(cc(n1)N(C)CC[*:1])C1CC[NH2+]CC1
Cc1nc(C2CC[NH2+]CC2)cc(N(C)CCN2CCCCC2=O)n1 O=C1CCCCN1C[*:1] Cc1nc(cc(n1)N(C)C[*:1])C1CC[NH2+]CC1
COc1cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])N1C[C@@H](O[C@H](C)C1)c1ccc(F)cc1
COc1cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)ccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] COc1cc(ccc1[N+](=O)[O-])N1C[C@H](O[C@H](C)C1)[*:1]
CC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CCCCC2)C1 c1ccc(cc1)C[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C1CCCCC1)[*:1]
CC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CCCCC2)C1 C1CCC(CC1)[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](Cc1ccccc1)[*:1]
CC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CCCCC2)C1 c1ccc(cc1)[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C[*:1])C1CCCCC1
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(Cc3ccc(Cl)cc3)nc12 CC(C)C[*:1] O=C(NC1CCCC1)c1ccc2c(=O)n(c3nn(Cc4ccc(Cl)cc4)c(=O)n3c2c1)[*:1]
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(Cc3ccc(Cl)cc3)nc12 Clc1ccc(cc1)[*:1] CC(C)Cn1c(=O)c2ccc(cc2n2c(=O)n(C[*:1])nc12)C(=O)NC1CCCC1
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(Cc3ccc(Cl)cc3)nc12 Clc1ccc(cc1)C[*:1] CC(C)Cn1c(=O)c2ccc(cc2n2c(=O)n(nc12)[*:1])C(=O)NC1CCCC1
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(Cc3ccc(Cl)cc3)nc12 CC(C)[*:1] O=C(NC1CCCC1)c1ccc2c(=O)n(C[*:1])c3nn(Cc4ccc(Cl)cc4)c(=O)n3c2c1
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(Cc3ccc(Cl)cc3)nc12 C1CCC(C1)[*:1] CC(C)Cn1c(=O)c2ccc(cc2n2c(=O)n(Cc3ccc(Cl)cc3)nc12)C(=O)N[*:1]
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(Cc3ccc(Cl)cc3)nc12 O=C(NC1CCCC1)[*:1] CC(C)Cn1c(=O)c2ccc(cc2n2c(=O)n(Cc3ccc(Cl)cc3)nc12)[*:1]
CC[C@@]1(c2ccc(NC(=O)CCc3cccc(F)c3)cc2)CCC(=O)NC1=O Fc1cccc(c1)C[*:1] CC[C@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)C[*:1]
CC[C@@]1(c2ccc(NC(=O)CCc3cccc(F)c3)cc2)CCC(=O)NC1=O Fc1cccc(c1)[*:1] CC[C@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)CC[*:1]
CC[C@@]1(c2ccc(NC(=O)CCc3cccc(F)c3)cc2)CCC(=O)NC1=O Fc1cccc(c1)CC[*:1] CC[C@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@H](C)C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CC[C@H](C)C(=O)OC1CCN(CC1)C(=O)O[*:1]
CC[C@H](C)C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 CC[C@H](C)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)[*:1]
O=C(NCC#CCOc1cccc2cccnc12)c1cc(-c2ccc(F)cc2)n[nH]1 Fc1ccc(cc1)[*:1] O=C(NCC#CCOc1cccc2cccnc12)c1cc(n[nH]1)[*:1]
O=C(NCC#CCOc1cccc2cccnc12)c1cc(-c2ccc(F)cc2)n[nH]1 c1cnc2c(cccc2c1)[*:1] O=C(NCC#CCO[*:1])c1cc(n[nH]1)-c1ccc(F)cc1
CCN(CC(N)=S)Cc1nc(C)cs1 NC(=S)[*:1] CCN(Cc1nc(C)cs1)C[*:1]
CCN(CC(N)=S)Cc1nc(C)cs1 NC(=S)C[*:1] CCN(Cc1nc(C)cs1)[*:1]
Nc1ccc2c(c1)C(=O)N(CCC(=O)[O-])C2 O=C([O-])[*:1] Nc1ccc2CN(CC[*:1])C(=O)c2c1
Nc1ccc2c(c1)C(=O)N(CCC(=O)[O-])C2 O=C([O-])C[*:1] Nc1ccc2CN(C[*:1])C(=O)c2c1
Nc1ccc2c(c1)C(=O)N(CCC(=O)[O-])C2 O=C([O-])CC[*:1] Nc1ccc2CN(C(=O)c2c1)[*:1]
CC[C@H]1CO[C@H](C)CN1C(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] CC[C@H]1CO[C@H](C)CN1C(=O)c1n[nH]c(n1)[*:1]
O=C1NC[C@H]2CN(Cc3ccc(F)cc3OC(F)(F)F)CCN2C1=O FC(F)(F)O[*:1] O=C1NC[C@H]2CN(CCN2C1=O)Cc1ccc(F)cc1[*:1]
O=C1NC[C@H]2CN(Cc3ccc(F)cc3OC(F)(F)F)CCN2C1=O FC(F)(F)[*:1] O=C1NC[C@H]2CN(CCN2C1=O)Cc1ccc(F)cc1O[*:1]
c1cc2c(cc1-c1n[nH]cc1C[NH+](CC1CC1)CC1CC1)OCCO2 C1CC1C[*:1] c1cc2OCCOc2cc1-c1n[nH]cc1C[NH+](CC1CC1)[*:1]
c1cc2c(cc1-c1n[nH]cc1C[NH+](CC1CC1)CC1CC1)OCCO2 C1CC1[*:1] c1cc2OCCOc2cc1-c1n[nH]cc1C[NH+](CC1CC1)C[*:1]
CC(C)(C)c1nc(O)c2nnn(C3CCN(C(=O)c4c(F)cccc4F)CC3)c2n1 Fc1cccc(F)c1[*:1] CC(C)(C)c1nc(O)c2nnn(c2n1)C1CCN(CC1)C(=O)[*:1]
CC(C)(C)c1nc(O)c2nnn(C3CCN(C(=O)c4c(F)cccc4F)CC3)c2n1 CC(C)(C)[*:1] O=C(c1c(F)cccc1F)N1CCC(CC1)n1nnc2c(O)nc(nc21)[*:1]
CNc1c(N/C(O)=[NH+]/Cc2ccc(F)cc2)c(=O)oc2ccccc12 Fc1ccc(cc1)C[*:1] CNc1c(NC(O)=[NH+][*:1])c(=O)oc2ccccc12
CNc1c(N/C(O)=[NH+]/Cc2ccc(F)cc2)c(=O)oc2ccccc12 Fc1ccc(cc1)[*:1] CNc1c(N/C(O)=[NH+]/C[*:1])c(=O)oc2ccccc12
O=C1c2cccc3cccc(c23)N1Cc1nc(-c2ccsc2)no1 c1cc(cs1)[*:1] O=C1c2cccc3cccc(c23)N1Cc1nc(no1)[*:1]
CCCN(C)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)[*:1] CCCN(C)C(=O)NC1CCC(CC1)[*:1]
CCCN(C)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CCC[*:1] CN(C(=O)NC1CCC(CC1)C(=O)OC(C)(C)C)[*:1]
CCCN(C)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CCCN(C)C(=O)NC1CCC(CC1)C(=O)O[*:1]
CCn1ncc(Br)c1C(=O)Nc1cnn(Cc2ccc(C)cc2)c1 CCn1ncc(Br)c1[*:1] Cc1ccc(cc1)Cn1cc(cn1)NC(=O)[*:1]
CCn1ncc(Br)c1C(=O)Nc1cnn(Cc2ccc(C)cc2)c1 Cc1ccc(cc1)C[*:1] CCn1ncc(Br)c1C(=O)Nc1cnn(c1)[*:1]
CCn1ncc(Br)c1C(=O)Nc1cnn(Cc2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CCn1ncc(Br)c1C(=O)Nc1cnn(c1)C[*:1]
Cc1nnc(CNC(=O)COc2cc(Cl)cc(Cl)c2)n1C Cc1nnc(n1C)[*:1] O=C(COc1cc(Cl)cc(Cl)c1)NC[*:1]
COc1ccc(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3noc(C)c23)cc1 COc1ccc(cc1)[*:1] Cc1onc2c(=O)n(Cc3ccc(C#N)cc3)nc(c12)[*:1]
COc1ccc(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3noc(C)c23)cc1 N#Cc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1nn(c(=O)c2noc(C)c12)[*:1]
COc1ccc(-c2nn(Cc3ccc(C#N)cc3)c(=O)c3noc(C)c23)cc1 N#Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(C[*:1])c(=O)c2noc(C)c12
Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@H](C(C)C)N1CCOCC1 CC(C)[*:1] Cc1ccc(cc1NC(=O)NC[C@H](N1CCOCC1)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@H](C(C)C)N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccc(cc1NC(=O)NC[C@H](C(C)C)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@H](C(C)C)N1CCOCC1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)NC[C@H](C(C)C)N1CCOCC1)[*:1]
COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 COc1ccc(C)cc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1cccnc1
COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 c1cncc(c1)[*:1] COc1ccc(C)cc1NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1nnc(NCCNc2ncccc2C(F)(F)F)c(C#N)c1C FC(F)(F)[*:1] Cc1nnc(NCCNc2ncccc2[*:1])c(C#N)c1C
COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1OC Cc1cc(C)c2oc(nc2c1)[*:1] COc1ccc(cc1OC)C(=O)NC(=S)Nc1ccc(cc1)[*:1]
COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(C)c2oc(nc2c1)-c1ccc(cc1)NC(=S)NC(=O)[*:1]
Cc1ccc(-c2noc(COc3ccc(Cl)cc3)n2)s1 Cc1ccc(s1)[*:1] Clc1ccc(cc1)OCc1nc(no1)[*:1]
C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccccc1OC(F)F FC(F)[*:1] C[C@@H]([NH2+][C@H]1CCN(C1)c1ccccn1)c1ccccc1O[*:1]
C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccccc1OC(F)F FC(F)O[*:1] C[C@@H]([NH2+][C@H]1CCN(C1)c1ccccn1)c1ccccc1[*:1]
C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccccc1OC(F)F c1ccc(nc1)[*:1] C[C@@H]([NH2+][C@H]1CCN(C1)[*:1])c1ccccc1OC(F)F
CC[C@H]1CCCCN1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CC[C@H]1CCCCN1C(=O)N[C@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1 CCO[*:1] CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1 CN(C)C(=O)C[*:1] CCOc1ccc(cc1)S(=O)(=O)N(C)[*:1]
CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CCOc1ccc(cc1)S(=O)(=O)N(C)C[*:1]
COC(=O)[C@H](CNC(=O)c1ccc(C)s1)Oc1ccc(F)cc1 Cc1ccc(s1)[*:1] COC(=O)[C@H](CNC(=O)[*:1])Oc1ccc(F)cc1
COC(=O)[C@H](CNC(=O)c1ccc(C)s1)Oc1ccc(F)cc1 COC(=O)[*:1] Cc1ccc(s1)C(=O)NC[C@H](Oc1ccc(F)cc1)[*:1]
COC(=O)[C@H](CNC(=O)c1ccc(C)s1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@H](CNC(=O)c1ccc(C)s1)O[*:1]
CCN(Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@@H](C)C#N c1cncc(c1)[*:1] CCN(Cc1cn(nc1[*:1])-c1ccccc1)C[C@@H](C)C#N
CCN(Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@@H](C)C#N c1ccc(cc1)[*:1] CCN(Cc1cn(nc1-c1cccnc1)[*:1])C[C@@H](C)C#N
CCc1n[nH]c(=S)n1CCNC(=O)Nc1ccnn1C1CCCCC1 CCc1n[nH]c(=S)n1[*:1] O=C(NCC[*:1])Nc1ccnn1C1CCCCC1
CCc1n[nH]c(=S)n1CCNC(=O)Nc1ccnn1C1CCCCC1 C1CCC(CC1)[*:1] CCc1n[nH]c(=S)n1CCNC(=O)Nc1ccnn1[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 c1coc(c1)C[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 c1coc(c1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)[*:1]
COc1ccc2c(c1)[C@H]([NH3+])[C@H](S(=O)(=O)CC(C)C)CC2 CC(C)C[*:1] COc1ccc2CC[C@H]([C@@H]([NH3+])c2c1)S(=O)(=O)[*:1]
COc1ccc2c(c1)[C@H]([NH3+])[C@H](S(=O)(=O)CC(C)C)CC2 CC(C)[*:1] COc1ccc2CC[C@H]([C@@H]([NH3+])c2c1)S(=O)(=O)C[*:1]
COc1ccccc1CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 COc1ccccc1C[*:1] COc1cc2CCN(C(=O)[*:1])[C@H](c3ccccc3)c2cc1OC
COc1ccccc1CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1CC(=O)N1CCc2cc(OC)c(cc2[C@@H]1[*:1])OC
COc1ccccc1CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 COc1ccccc1[*:1] COc1cc2CCN(C(=O)C[*:1])[C@H](c3ccccc3)c2cc1OC
C[C@H](c1ccco1)N(C(=O)c1cc2ccccc2o1)c1ccccn1 c1coc(c1)[*:1] C[C@H](N(C(=O)c1cc2ccccc2o1)c1ccccn1)[*:1]
C[C@H](c1ccco1)N(C(=O)c1cc2ccccc2o1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](c1ccco1)N(C(=O)c1cc2ccccc2o1)[*:1]
C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(CC1)[*:1]
C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(c2ccc(F)cc2F)CC1 N#Cc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)NCC1(CC1)c1ccc(F)cc1F
Cc1ccc2cccc(C(=O)N[C@@H](c3n[nH]c(C)n3)C(C)C)c2n1 CC(C)[*:1] Cc1ccc2cccc(C(=O)N[C@@H](c3n[nH]c(C)n3)[*:1])c2n1
Cc1ccc2cccc(C(=O)N[C@@H](c3n[nH]c(C)n3)C(C)C)c2n1 Cc1nc(n[nH]1)[*:1] Cc1ccc2cccc(C(=O)N[C@@H](C(C)C)[*:1])c2n1
CC1(C)CCC[C@H]([NH2+]CCCC(=O)NC2CC2)C1 O=C(NC1CC1)[*:1] CC1(C)CCC[C@@H](C1)[NH2+]CCC[*:1]
CC1(C)CCC[C@H]([NH2+]CCCC(=O)NC2CC2)C1 C1CC1[*:1] CC1(C)CCC[C@@H](C1)[NH2+]CCCC(=O)N[*:1]
COc1ccc(CCC(=O)N2CCN(c3ccc(C#N)c(Cl)c3)CC2)cc1 COc1ccc(cc1)C[*:1] N#Cc1ccc(cc1Cl)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(CCC(=O)N2CCN(c3ccc(C#N)c(Cl)c3)CC2)cc1 N#Cc1ccc(cc1Cl)[*:1] COc1ccc(cc1)CCC(=O)N1CCN(CC1)[*:1]
COc1ccc(CCC(=O)N2CCN(c3ccc(C#N)c(Cl)c3)CC2)cc1 COc1ccc(cc1)[*:1] N#Cc1ccc(cc1Cl)N1CCN(CC1)C(=O)CC[*:1]
O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1 c1csc(c1)[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)N(Cc1cccs1)C[*:1]
O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1 c1csc(c1)C[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)N(Cc1cccs1)[*:1]
O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1 O=C1CCCN1[*:1] O=S(=O)(c1ccc(cc1)[*:1])N(Cc1cccs1)Cc1cccs1
CC[NH+](CC)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C(=O)CNC(=O)[*:1]
COC(=O)Cc1c(C)c2ccc(OCC(N)=O)cc2oc1=O COC(=O)C[*:1] Cc1c(c(=O)oc2cc(ccc12)OCC(N)=O)[*:1]
COC(=O)Cc1c(C)c2ccc(OCC(N)=O)cc2oc1=O NC(=O)CO[*:1] COC(=O)Cc1c(C)c2ccc(cc2oc1=O)[*:1]
COC(=O)Cc1c(C)c2ccc(OCC(N)=O)cc2oc1=O NC(=O)C[*:1] COC(=O)Cc1c(C)c2ccc(cc2oc1=O)O[*:1]
COC(=O)Cc1c(C)c2ccc(OCC(N)=O)cc2oc1=O NC(=O)[*:1] COC(=O)Cc1c(C)c2ccc(cc2oc1=O)OC[*:1]
COC(=O)Cc1c(C)c2ccc(OCC(N)=O)cc2oc1=O COC(=O)[*:1] Cc1c(C[*:1])c(=O)oc2cc(ccc12)OCC(N)=O
COc1ccc([C@@H](C)NC(=O)c2ccc(CSC)cc2)cc1OC CSC[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
CC(C)NC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21 CC(C)NC(=O)[*:1] O=C1c2cccnc2Oc2ccc(Cl)cc2N1C[*:1]
CC(C)NC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21 CC(C)NC(=O)C[*:1] O=C1c2cccnc2Oc2ccc(Cl)cc2N1[*:1]
CC(C)NC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21 CC(C)[*:1] O=C(CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21)N[*:1]
C=CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cc(OC)ccc21 CC(C)S(=O)(=O)[*:1] C=CCn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2cc(ccc21)OC
C=CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cc(OC)ccc21 C=CC[*:1] COc1ccc2c(c1)s/c(=N\C(=O)c1cccc(c1)S(=O)(=O)C(C)C)n2[*:1]
C=CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cc(OC)ccc21 CC(C)[*:1] C=CCn1/c(=N/C(=O)c2cccc(c2)S(=O)(=O)[*:1])sc2cc(ccc21)OC
C/C=C/C=N/NC(=O)N/N=C/C=C/C CC=C[*:1] C/C=C/C=N/NC(=O)NN=C[*:1]
C=CCn1ccc2c(OCC(=O)Nc3cccc(F)c3)cccc2c1=O C=CC[*:1] O=C(COc1cccc2c(=O)n(ccc12)[*:1])Nc1cccc(F)c1
C=CCn1ccc2c(OCC(=O)Nc3cccc(F)c3)cccc2c1=O Fc1cccc(c1)[*:1] C=CCn1ccc2c(cccc2c1=O)OCC(=O)N[*:1]
CC(C)CCO/N=C(/N)[C@@H]1CCOC1 CC(C)C[*:1] N/C(=N/OC[*:1])[C@@H]1CCOC1
CC(C)CCO/N=C(/N)[C@@H]1CCOC1 CC(C)[*:1] N/C(=N/OCC[*:1])[C@@H]1CCOC1
CC(=O)N1CCc2cccc(NC(=O)C3CC3)c21 O=C(N[*:1])C1CC1 CC(=O)N1CCc2cccc(c21)[*:1]
CC(=O)N1CCc2cccc(NC(=O)C3CC3)c21 C1CC1[*:1] CC(=O)N1CCc2cccc(NC(=O)[*:1])c21
COc1ccc(-n2c(SCC[NH+]3CCCCC3)nc3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c2ccccc2nc(SCC[NH+]2CCCCC2)n1[*:1]
CSc1ncc(CNC(=O)CC2CC[NH+](C(C)C)CC2)n1C CC(C)[*:1] CSc1ncc(CNC(=O)CC2CC[NH+](CC2)[*:1])n1C
CCN(CC)C(=O)c1ccccc1NC(=O)Cc1ccc(OC)cc1 CCN(CC)C(=O)[*:1] COc1ccc(cc1)CC(=O)Nc1ccccc1[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)Cc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccccc1NC(=O)C[*:1]
O=c1cc(-c2ccccc2)c2c(O)cccc2o1 c1ccc(cc1)[*:1] O=c1cc(c2c(O)cccc2o1)[*:1]
O=C(c1ccncc1)N1CCn2cccc2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccncc1)N1CCn2cccc2[C@H]1[*:1]
O=C(c1ccncc1)N1CCn2cccc2[C@@H]1c1ccccc1 c1cc(ccn1)[*:1] O=C(N1CCn2cccc2[C@@H]1c1ccccc1)[*:1]
CN(Cc1ccco1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 c1coc(c1)C[*:1] CN([C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)[*:1]
CN(Cc1ccco1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 c1coc(c1)[*:1] CN(C[*:1])[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21
C[C@H](CCC(=O)[O-])NC(=O)c1ccc(C[NH3+])o1 O=C([O-])[*:1] C[C@H](CC[*:1])NC(=O)c1ccc(C[NH3+])o1
C[C@H](CCC(=O)[O-])NC(=O)c1ccc(C[NH3+])o1 O=C([O-])C[*:1] C[C@H](C[*:1])NC(=O)c1ccc(C[NH3+])o1
C[C@H](CCC(=O)[O-])NC(=O)c1ccc(C[NH3+])o1 O=C([O-])CC[*:1] C[C@H](NC(=O)c1ccc(C[NH3+])o1)[*:1]
Cc1ccc(C(=O)NCC(=O)NCc2ccco2)c(O)c1C c1coc(c1)[*:1] Cc1ccc(C(=O)NCC(=O)NC[*:1])c(O)c1C
Cc1ccc(C(=O)NCC(=O)NCc2ccco2)c(O)c1C c1coc(c1)C[*:1] Cc1ccc(C(=O)NCC(=O)N[*:1])c(O)c1C
CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)Cc2ccc(O)cc2)c1 Oc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)N[C@H](C)C[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)Cc2ccc(O)cc2)c1 Oc1ccc(cc1)C[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)N[C@H](C)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)Cc2ccc(O)cc2)c1 CCC(=O)N[*:1] Cc1ccc(cc1NC(=O)N[C@H](C)Cc1ccc(O)cc1)[*:1]
CC[C@H](CSC)N(C)c1ccc2nnc(-c3ccccc3F)n2n1 Fc1ccccc1[*:1] CC[C@H](CSC)N(C)c1ccc2nnc(n2n1)[*:1]
CC[C@H](CSC)N(C)c1ccc2nnc(-c3ccccc3F)n2n1 CSC[*:1] CC[C@H](N(C)c1ccc2nnc(-c3ccccc3F)n2n1)[*:1]
CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)CNc1nccs1 CCOC(=O)[*:1] Cc1ccc2=[NH+][C@H](C(NC(=O)CNc3nccs3)=c2c1)[*:1]
CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)CNc1nccs1 c1csc(n1)[*:1] CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)CN[*:1]
CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)CNc1nccs1 c1csc(n1)NC[*:1] CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)[*:1]
CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)CNc1nccs1 c1csc(n1)N[*:1] CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)C[*:1]
CC1(C)CC(NC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CC(C)(C)[NH2+]1 Oc1ccc(cc1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCCc1ccc2c(c1)OCO2 C1CN(CCO1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)NCCc1ccc2OCOc2c1)[*:1]
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] Cc1nc([nH]c(=O)c1CCC(=O)NC[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1nc([nH]c(=O)c1CCC(=O)NCC[*:1])N1CCOCC1
O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCc1cccs1 Clc1ccc(cc1)[*:1] O=C(CN1N=C(CCC1=O)[*:1])NCc1cccs1
O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCc1cccs1 c1csc(c1)C[*:1] O=C(CN1N=C(CCC1=O)c1ccc(Cl)cc1)N[*:1]
O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCc1cccs1 c1csc(c1)[*:1] O=C(CN1N=C(CCC1=O)c1ccc(Cl)cc1)NC[*:1]
CCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 c1ccc(cc1)[*:1] CCc1cc(C(=O)N[C@H](C)[*:1])c2c(nn(-c3ccc(F)cc3)c2n1)C1CC1
CCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 C[C@H](c1ccccc1)[*:1] CCc1cc(C(=O)N[*:1])c2c(nn(-c3ccc(F)cc3)c2n1)C1CC1
CCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 Fc1ccc(cc1)[*:1] CCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(nn(c2n1)[*:1])C1CC1
CCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 C1CC1[*:1] CCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(nn(-c3ccc(F)cc3)c2n1)[*:1]
C=CCn1c(C)nnc1SCC(=O)Nc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C=CCn1c(C)nnc1SCC(=O)Nc1ccc(cc1)[*:1]
C=CCn1c(C)nnc1SCC(=O)Nc1ccc(C(C)(C)C)cc1 C=CC[*:1] Cc1nnc(SCC(=O)Nc2ccc(cc2)C(C)(C)C)n1[*:1]
CC(=O)Nc1ccc(OC(=O)c2nc(C3CC3)n3ccccc23)cc1 C1CC1[*:1] CC(=O)Nc1ccc(cc1)OC(=O)c1nc(n2ccccc12)[*:1]
CC(=O)Nc1ccc(OC(=O)c2nc(C3CC3)n3ccccc23)cc1 CC(=O)N[*:1] O=C(Oc1ccc(cc1)[*:1])c1nc(C2CC2)n2ccccc12
O=C(NCC(F)(F)F)C1CC[NH+](Cc2nc3ccccc3o2)CC1 O=C(NCC(F)(F)F)[*:1] c1ccc2oc(C[NH+]3CCC(CC3)[*:1])nc2c1
O=C(NCC(F)(F)F)C1CC[NH+](Cc2nc3ccccc3o2)CC1 FC(F)(F)C[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1nc2ccccc2o1
O=C(NCC(F)(F)F)C1CC[NH+](Cc2nc3ccccc3o2)CC1 FC(F)(F)[*:1] O=C(NC[*:1])C1CC[NH+](CC1)Cc1nc2ccccc2o1
O=C(NC[C@H]1Cc2cccc(-c3cnccn3)c2O1)[C@H]1C[C@@H]2C=C[C@H]1C2 c1cnc(cn1)[*:1] O=C(NC[C@H]1Cc2cccc(c2O1)[*:1])[C@H]1C[C@@H]2C=C[C@H]1C2
Cc1nnc(SCc2ccnc(Cl)c2)n1CC(N)=O NC(=O)C[*:1] Cc1nnc(SCc2ccnc(Cl)c2)n1[*:1]
Cc1nnc(SCc2ccnc(Cl)c2)n1CC(N)=O NC(=O)[*:1] Cc1nnc(SCc2ccnc(Cl)c2)n1C[*:1]
O=C(C1CCC1)N1CCCC[C@H]1[C@@H]1CCCC[C@H]1O C1CC(C1)[*:1] O=C(N1CCCC[C@H]1[C@@H]1CCCC[C@H]1O)[*:1]
O=C(CN1CCCc2c1cccc2[N+](=O)[O-])N[C@H]1CCOc2ccccc21 O=[N+]([O-])[*:1] O=C(CN1CCCc2c1cccc2[*:1])N[C@H]1CCOc2ccccc21
CCc1nn(C)cc1CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] CCc1nn(C)cc1CNC(=O)[C@H](C)NS(=O)(=O)[*:1]
CCc1nn(C)cc1CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 CCc1nn(C)cc1[*:1] C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[*:1]
C[C@H](CCCCl)[NH2+]Cc1ccc(Cl)cc1Cl ClCCC[*:1] C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)[*:1]
C[C@H](CCCCl)[NH2+]Cc1ccc(Cl)cc1Cl ClCC[*:1] C[C@H](C[*:1])[NH2+]Cc1ccc(Cl)cc1Cl
Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl Cc1n[nH]c(C)c1[*:1] O=C(N[*:1])[C@@H]1C[C@@H]1c1c(F)cccc1Cl
COc1ccccc1C[C@H]1CCCN1Cn1c2c(sc1=O)C[C@@H](C)CC2 COc1ccccc1[*:1] C[C@H]1CCc2c(C1)sc(=O)n2CN1CCC[C@@H]1C[*:1]
COCCN(C(=O)c1cc(Cl)c(Cl)n1C)c1ccncc1 COCC[*:1] Cn1c(cc(Cl)c1Cl)C(=O)N(c1ccncc1)[*:1]
COCCN(C(=O)c1cc(Cl)c(Cl)n1C)c1ccncc1 COC[*:1] Cn1c(cc(Cl)c1Cl)C(=O)N(C[*:1])c1ccncc1
COCCN(C(=O)c1cc(Cl)c(Cl)n1C)c1ccncc1 c1cc(ccn1)[*:1] COCCN(C(=O)c1cc(Cl)c(Cl)n1C)[*:1]
C[C@@H](NC(=O)NCC[S@](C)=O)c1ccc(F)cc1Cl C[S@](=O)CC[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(F)cc1Cl
C[C@@H](NC(=O)NCC[S@](C)=O)c1ccc(F)cc1Cl C[S@](=O)[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccc(F)cc1Cl
C[C@@H](NC(=O)NCC[S@](C)=O)c1ccc(F)cc1Cl C[S@](=O)C[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(F)cc1Cl
Cc1ncc([C@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)s1 Cc1ncc(s1)[*:1] C[C@H]([NH2+]CC1(CCCCC1)NC(=O)OC(C)(C)C)[*:1]
Cc1ncc([C@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)s1 CC(C)(C)[*:1] Cc1ncc(s1)[C@H](C)[NH2+]CC1(CCCCC1)NC(=O)O[*:1]
Cc1ncc([C@H](C)[NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)s1 CC(C)(C)OC(=O)N[*:1] Cc1ncc(s1)[C@H](C)[NH2+]CC1(CCCCC1)[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 O=C([O-])[*:1] C[C@H]1[C@@H](CCN1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)[*:1]
CC(C)c1ccc(/C=N/NC(=O)COc2ccccc2)cc1 CC(C)[*:1] O=C(COc1ccccc1)N/N=C/c1ccc(cc1)[*:1]
CC(C)c1ccc(/C=N/NC(=O)COc2ccccc2)cc1 c1ccc(cc1)O[*:1] CC(C)c1ccc(/C=N/NC(=O)C[*:1])cc1
CC(C)c1ccc(/C=N/NC(=O)COc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(/C=N/NC(=O)CO[*:1])cc1
CC(=O)c1cccc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)Cn1nnc2ccccc2c1=O
CC(=O)c1cccc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)c1 CC(=O)c1cccc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)Cn1nnc2ccccc2c1=O
Cc1cc(NC(=O)CSCC(=O)N2CCN(c3ccccc3Cl)CC2)no1 Cc1cc(no1)[*:1] O=C(CSCC(=O)N1CCN(CC1)c1ccccc1Cl)N[*:1]
Cc1cc(NC(=O)CSCC(=O)N2CCN(c3ccccc3Cl)CC2)no1 Cc1cc(no1)NC(=O)[*:1] O=C(CSC[*:1])N1CCN(CC1)c1ccccc1Cl
Cc1cc(NC(=O)CSCC(=O)N2CCN(c3ccccc3Cl)CC2)no1 Clc1ccccc1[*:1] Cc1cc(no1)NC(=O)CSCC(=O)N1CCN(CC1)[*:1]
CC(C)(C)c1nnnn1Cc1sccc1Br CC(C)(C)[*:1] Brc1ccsc1Cn1nnnc1[*:1]
CCC[C@]1(C(=O)[O-])CCN(c2cncc(C(=O)OC)n2)C1 COC(=O)[*:1] CCC[C@@]1(CCN(C1)c1cncc(n1)[*:1])C(=O)[O-]
CCC[C@]1(C(=O)[O-])CCN(c2cncc(C(=O)OC)n2)C1 CCC[*:1] COC(=O)c1cncc(n1)N1CC[C@](C1)(C(=O)[O-])[*:1]
CCC[C@]1(C(=O)[O-])CCN(c2cncc(C(=O)OC)n2)C1 O=C([O-])[*:1] CCC[C@@]1(CCN(C1)c1cncc(n1)C(=O)OC)[*:1]
C[C@@H](c1ccncc1)N(C)Cc1ccc(S(=O)(=O)C(F)F)cc1 c1cc(ccn1)[*:1] C[C@@H](N(C)Cc1ccc(cc1)S(=O)(=O)C(F)F)[*:1]
C[C@@H](c1ccncc1)N(C)Cc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] C[C@@H](c1ccncc1)N(C)Cc1ccc(cc1)S(=O)(=O)[*:1]
C[C@@H](c1ccncc1)N(C)Cc1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] C[C@@H](c1ccncc1)N(C)Cc1ccc(cc1)[*:1]
COCCn1/c(=N\C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(NC(C)=O)ccc21 COC[*:1] CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)[C@H]1CCCCN1S(C)(=O)=O)n2C[*:1]
COCCn1/c(=N\C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(NC(C)=O)ccc21 CC(=O)N[*:1] COCCn1/c(=N\C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(ccc21)[*:1]
COCCn1/c(=N\C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(NC(C)=O)ccc21 COCC[*:1] CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)[C@H]1CCCCN1S(C)(=O)=O)n2[*:1]
Cc1cc(C)cc(CCNC(=O)c2cnc3sc(C)cn3c2=O)c1 Cc1cc(C)cc(c1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NCC[*:1]
C[C@@H](O/N=C(/N)C(F)(F)F)C(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](O/N=C(/N)C(F)(F)F)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](O/N=C(/N)C(F)(F)F)C(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](O/N=C(/N)[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CCN(CC1)c1ncccc1C#N
Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1C(N)=O N#Cc1cccnc1[*:1] Cc1ccc(cc1C(N)=O)NC(=O)N1CCN(CC1)[*:1]
Cc1cccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c1 CC(C)O[*:1] Cc1cccc(c1)C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1[*:1]
Cc1cccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c1 Cc1cccc(c1)[*:1] CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[*:1]
Cc1cccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1O[*:1]
Fc1cc([C@H]2OCC[C@H]2Nc2nnnn2-c2ccccc2)ccc1Cl c1ccc(cc1)[*:1] Fc1cc(ccc1Cl)[C@H]1OCC[C@H]1Nc1nnnn1[*:1]
Fc1cc([C@H]2OCC[C@H]2Nc2nnnn2-c2ccccc2)ccc1Cl Fc1cc(ccc1Cl)[*:1] c1ccc(cc1)-n1nnnc1N[C@@H]1CCO[C@@H]1[*:1]
C[C@H]1[C@H]2C[C@H]([C@H](S(=O)(=O)[O-])C2=O)C1(C)C O=S(=O)([O-])[*:1] C[C@H]1[C@H]2C[C@H]([C@H](C2=O)[*:1])C1(C)C
CC[C@@H](NC(=O)N[C@H](C)C1CCCCC1)C(=O)N1CCOCC1 C1CCC(CC1)[*:1] CC[C@@H](NC(=O)N[C@H](C)[*:1])C(=O)N1CCOCC1
CC[NH2+][C@@H](CSc1ccccc1F)Cc1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] CC[NH2+][C@@H](CSc1ccccc1F)C[*:1]
CC[NH2+][C@@H](CSc1ccccc1F)Cc1nc(C)c(C)s1 Fc1ccccc1[*:1] CC[NH2+][C@@H](CS[*:1])Cc1nc(C)c(C)s1
CN(C)S(=O)(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 C1CCN(CC1)[*:1] CN(C)S(=O)(=O)N1CCN(CC1)c1ccnc(n1)[*:1]
O=C(c1cc(N2CCC(c3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-])N1CCCC1 O=[N+]([O-])[*:1] O=C(c1cc(ccc1[*:1])N1CCC(CC1)c1nc2ccccc2s1)N1CCCC1
O=C(c1cc(N2CCC(c3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-])N1CCCC1 c1ccc2sc(nc2c1)[*:1] O=C(c1cc(ccc1[N+](=O)[O-])N1CCC(CC1)[*:1])N1CCCC1
O=C(c1cc(N2CCC(c3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-])N1CCCC1 O=C(N1CCCC1)[*:1] O=[N+]([O-])c1ccc(cc1[*:1])N1CCC(CC1)c1nc2ccccc2s1
COCC(=O)NC[C@H](O)c1ccccc1Cl COC[*:1] O=C(NC[C@H](O)c1ccccc1Cl)[*:1]
CSC[C@@H](C)C(=O)Nc1c[nH]cc(Br)c1=O CSC[C@@H](C)[*:1] O=C(Nc1c[nH]cc(Br)c1=O)[*:1]
CSC[C@@H](C)C(=O)Nc1c[nH]cc(Br)c1=O CSC[*:1] C[C@@H](C(=O)Nc1c[nH]cc(Br)c1=O)[*:1]
CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCCc3ccccc32)c(C)c1 CC(=O)N[*:1] Cc1cc(cc(C)c1S(=O)(=O)N1CCCc2ccccc21)[*:1]
Cc1nc(CSc2nnc(C3CC3)n2C)oc1C C1CC1[*:1] Cc1nc(CSc2nnc(n2C)[*:1])oc1C
CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(F)cc2Cl)cc1 CCC(=O)N[*:1] O=C(N/N=C/c1ccc(F)cc1Cl)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(F)cc2Cl)cc1 Fc1ccc(c(Cl)c1)[*:1] CCC(=O)Nc1ccc(cc1)C(=O)NN=C[*:1]
CCOc1ccc(O[C@@H](C)C(=O)Nc2ccccc2CC)cc1 CCO[*:1] CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1n[nH]c(=O)c2ccccc12 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)c1n[nH]c(=O)c2ccccc12
C[C@@H](CCc1ccccc1)NC(=O)c1n[nH]c(=O)c2ccccc12 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1n[nH]c(=O)c2ccccc12 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)c1n[nH]c(=O)c2ccccc12
Cc1ccc(-c2csc(NC(=O)c3ccc[n+]([O-])c3)n2)c(C)c1 [O-][n+]1cccc(c1)[*:1] Cc1ccc(-c2csc(n2)NC(=O)[*:1])c(C)c1
Cc1ccsc1[C@H](O)CNC(=O)Nc1ccc(F)cc1 Cc1ccsc1[*:1] O=C(NC[C@@H](O)[*:1])Nc1ccc(F)cc1
Cc1cc(=O)n(CC(=O)N2CCCc3ccccc32)c(Nc2cccc(F)c2)n1 Fc1cccc(c1)[*:1] Cc1cc(=O)n(CC(=O)N2CCCc3ccccc32)c(n1)N[*:1]
Cc1cc(=O)n(CC(=O)N2CCCc3ccccc32)c(Nc2cccc(F)c2)n1 Fc1cccc(c1)N[*:1] Cc1cc(=O)n(CC(=O)N2CCCc3ccccc32)c(n1)[*:1]
O=C([O-])CCOc1cccc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c1 O=C([O-])CC[*:1] O=c1c2ccc(Cl)cc2nc2/C(=C\c3cccc(c3)O[*:1])CCn21
O=C([O-])CCOc1cccc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c1 O=C([O-])C[*:1] O=c1c2ccc(Cl)cc2nc2/C(=C\c3cccc(c3)OC[*:1])CCn21
O=C([O-])CCOc1cccc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c1 O=C([O-])[*:1] O=c1c2ccc(Cl)cc2nc2/C(=C\c3cccc(c3)OCC[*:1])CCn21
O=C([O-])CCOc1cccc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c1 O=C([O-])CCO[*:1] O=c1c2ccc(Cl)cc2nc2/C(=C\c3cccc(c3)[*:1])CCn21
O=C(CC[C@@H]1CCCO1)N1CCSc2ccc(Cl)cc21 C1CO[C@@H](C1)C[*:1] O=C(C[*:1])N1CCSc2ccc(Cl)cc21
O=C(CC[C@@H]1CCCO1)N1CCSc2ccc(Cl)cc21 C1CO[C@@H](C1)[*:1] O=C(CC[*:1])N1CCSc2ccc(Cl)cc21
CCO[C@H]1C[C@@H](NC(=O)N2CCOC[C@@H]2CC)C12CCC2 CCO[*:1] CC[C@H]1COCCN1C(=O)N[C@@H]1C[C@@H](C12CCC2)[*:1]
CCC(CC)n1nccc1C(=O)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] CCC(CC)n1nccc1C(=O)N[C@@H](CO)[*:1]
CCC(CC)n1nccc1C(=O)N[C@@H](CO)c1ccco1 CCC(CC)[*:1] O=C(N[C@@H](CO)c1ccco1)c1ccnn1[*:1]
CCOc1ccc(SCC(=O)N(C)CCC#N)cc1 N#CCC[*:1] CCOc1ccc(cc1)SCC(=O)N(C)[*:1]
CCOc1ccc(SCC(=O)N(C)CCC#N)cc1 CCO[*:1] CN(CCC#N)C(=O)CSc1ccc(cc1)[*:1]
CCOc1ccc(SCC(=O)N(C)CCC#N)cc1 N#CC[*:1] CCOc1ccc(cc1)SCC(=O)N(C)C[*:1]
CN(CCOc1ccc(F)cc1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)NCc1ccc(F)cc1
CN(CCOc1ccc(F)cc1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CCOc1ccc(F)cc1)C(=O)NC[*:1]
COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 NS(=O)(=O)[*:1] COc1cc(C)cc(c1)C[NH2+][C@H](C)c1ccc(cc1)[*:1]
C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3ccccc3Cl)cs1)CS2 Clc1ccccc1[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1nc(cs1)[*:1]
COc1cc(C(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)N2CCN(CC2)Cc2nc(cs2)-c2cccs2)c(cc1OC)[*:1]
COc1cc(C(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)c([N+](=O)[O-])cc1OC c1csc(c1)-c1csc(n1)[*:1] COc1cc(C(=O)N2CCN(CC2)C[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)c([N+](=O)[O-])cc1OC c1csc(c1)[*:1] COc1cc(C(=O)N2CCN(CC2)Cc2nc(cs2)[*:1])c(cc1OC)[N+](=O)[O-]
CSCC(=O)NNC(=O)NCC(C)(C)[NH+](C)C CSC[*:1] C[NH+](C)C(C)(C)CNC(=O)NNC(=O)[*:1]
CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1F)N1CCOCC1 Fc1cccc(c1F)[*:1] CC(C)[C@@H](CNC(=O)C(=O)N[*:1])N1CCOCC1
CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1F)N1CCOCC1 CC(C)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])C(=O)Nc1cccc(F)c1F
CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1F)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1F)[*:1]
COc1cc(Br)c(OC)c(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] COc1cc(Br)c(OC)c(c1)C(=O)N1CCC[C@H]1[*:1]
CSCc1ccc(C(=O)Nc2n[nH]c(-c3ccco3)n2)cc1 c1coc(c1)[*:1] CSCc1ccc(cc1)C(=O)Nc1n[nH]c(n1)[*:1]
CSCc1ccc(C(=O)Nc2n[nH]c(-c3ccco3)n2)cc1 CSC[*:1] O=C(Nc1n[nH]c(n1)-c1ccco1)c1ccc(cc1)[*:1]
CN(C)C(=O)Cc1nc(CSc2nncs2)cs1 c1nnc(S[*:1])s1 CN(C)C(=O)Cc1nc(cs1)C[*:1]
CN(C)C(=O)Cc1nc(CSc2nncs2)cs1 CN(C)C(=O)[*:1] c1nnc(SCc2csc(C[*:1])n2)s1
CN(C)C(=O)Cc1nc(CSc2nncs2)cs1 CN(C)C(=O)C[*:1] c1nnc(SCc2csc(n2)[*:1])s1
CN(C)C(=O)Cc1nc(CSc2nncs2)cs1 c1nnc(s1)[*:1] CN(C)C(=O)Cc1nc(cs1)CS[*:1]
C=CCn1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cn1 CC(C)(C)[*:1] C=CCn1cc(cn1)[C@H]1C(C#N)=C(N)Oc2n[nH]c(c21)[*:1]
C=CCn1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cn1 C=CC[*:1] CC(C)(C)c1[nH]nc2OC(N)=C(C#N)[C@H](c3cnn(c3)[*:1])c21
C=CCn1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cn1 C=CCn1cc(cn1)[*:1] CC(C)(C)c1[nH]nc2OC(N)=C(C#N)[C@@H](c21)[*:1]
CCOC(=O)[C@@]1(O)C[N+]2(CC(=O)c3ccc(Br)cc3)CCC1CC2 Brc1ccc(cc1)[*:1] CCOC(=O)[C@@]1(O)C[N+]2(CCC1CC2)CC(=O)[*:1]
CCOC(=O)[C@@]1(O)C[N+]2(CC(=O)c3ccc(Br)cc3)CCC1CC2 CCOC(=O)[*:1] O=C(C[N+]12CCC(CC1)[C@@](O)(C2)[*:1])c1ccc(Br)cc1
CCN1CCN(C(=O)CCCCCNC(C)=O)c2ccccc21 CC(=O)NCC[*:1] CCN1CCN(C(=O)CCC[*:1])c2ccccc21
CCN1CCN(C(=O)CCCCCNC(C)=O)c2ccccc21 CC(=O)N[*:1] CCN1CCN(C(=O)CCCCC[*:1])c2ccccc21
CCN1CCN(C(=O)CCCCCNC(C)=O)c2ccccc21 CC(=O)NC[*:1] CCN1CCN(C(=O)CCCC[*:1])c2ccccc21
CCN1CCN(C(=O)CCCCCNC(C)=O)c2ccccc21 CC(=O)NCCC[*:1] CCN1CCN(C(=O)CC[*:1])c2ccccc21
C[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)O[*:1]
C[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)[*:1]
CCOC(=O)c1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1 O=C([O-])[*:1] CCOC(=O)c1ccc(cc1)-c1cc(F)cc(c1)[*:1]
CCOC(=O)c1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1 CCOC(=O)[*:1] O=C([O-])c1cc(F)cc(c1)-c1ccc(cc1)[*:1]
O=C(Nc1onc2c1CCCC2)[C@H]1CCCN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1onc2CCCCc21)[C@H]1CCCN1S(=O)(=O)[*:1]
COCCCNC(=O)Nc1cccc(C(=O)N2CCCC2)c1 COCC[*:1] O=C(NC[*:1])Nc1cccc(c1)C(=O)N1CCCC1
COCCCNC(=O)Nc1cccc(C(=O)N2CCCC2)c1 COCCC[*:1] O=C(Nc1cccc(c1)C(=O)N1CCCC1)N[*:1]
COCCCNC(=O)Nc1cccc(C(=O)N2CCCC2)c1 COC[*:1] O=C(NCC[*:1])Nc1cccc(c1)C(=O)N1CCCC1
COCCCNC(=O)Nc1cccc(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] COCCCNC(=O)Nc1cccc(c1)[*:1]
COc1ccccc1N/C(=N\C(=O)c1ccc(C)cc1)NCc1ccccn1 COc1ccccc1[*:1] Cc1ccc(cc1)C(=O)/N=C(/NCc1ccccn1)N[*:1]
COc1ccccc1N/C(=N\C(=O)c1ccc(C)cc1)NCc1ccccn1 Cc1ccc(cc1)[*:1] COc1ccccc1N/C(=N\C(=O)[*:1])NCc1ccccn1
COc1ccccc1N/C(=N\C(=O)c1ccc(C)cc1)NCc1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1N/C(=N\C(=O)c1ccc(C)cc1)NC[*:1]
COc1ccccc1N/C(=N\C(=O)c1ccc(C)cc1)NCc1ccccn1 c1ccc(C[*:1])nc1 COc1ccccc1N/C(=N\C(=O)c1ccc(C)cc1)N[*:1]
C[NH2+][C@@H](Cc1nc([C@H](C)OC)no1)C1CC1 CO[C@@H](C)[*:1] C[NH2+][C@@H](Cc1nc(no1)[*:1])C1CC1
C[NH2+][C@@H](Cc1nc([C@H](C)OC)no1)C1CC1 C1CC1[*:1] C[NH2+][C@@H](Cc1nc(no1)[C@H](C)OC)[*:1]
CC(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(C)c2C)c1 CC(=O)[*:1] Cc1cccc(NC(=O)COC(=O)c2cccc(c2)[*:1])c1C
CC(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] CC(=O)c1cccc(c1)C(=O)OCC(=O)N[*:1]
Cc1ccc(C)c2sc(N3CCN(C(=O)c4cnccn4)CC3)nc12 c1cnc(cn1)[*:1] Cc1ccc(C)c2sc(nc12)N1CCN(CC1)C(=O)[*:1]
COc1ccccc1CNC(=O)CS(=O)(=O)Cc1c(C)nn(C)c1Cl COc1ccccc1[*:1] Cc1nn(C)c(Cl)c1CS(=O)(=O)CC(=O)NC[*:1]
COc1ccccc1CNC(=O)CS(=O)(=O)Cc1c(C)nn(C)c1Cl Cc1nn(C)c(Cl)c1[*:1] COc1ccccc1CNC(=O)CS(=O)(=O)C[*:1]
Cn1cc(C#N)cc1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 Cn1cc(C#N)cc1[*:1] NC(=O)C1CCN(CC1)c1[nH+]cccc1CNC(=O)[*:1]
Cn1cc(C#N)cc1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 NC(=O)C1CCN(CC1)[*:1] Cn1cc(C#N)cc1C(=O)NCc1ccc[nH+]c1[*:1]
Cn1cc(C#N)cc1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 NC(=O)[*:1] Cn1cc(C#N)cc1C(=O)NCc1ccc[nH+]c1N1CCC(CC1)[*:1]
Cc1nc(CCNC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cs1 Cc1nc(cs1)CC[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N[*:1])C2=O
Cc1nc(CCNC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cs1 Cc1nc(cs1)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCC[*:1])C2=O
Cc1nc(CCNC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cs1 Cc1nc(cs1)C[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NC[*:1])C2=O
Brc1ccc(-n2nccc2-c2ccncc2)cc1 c1cc(ccn1)[*:1] Brc1ccc(cc1)-n1nccc1[*:1]
C[C@@H]1OCC[C@@H]1[C@H](O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H]1OCC[C@@H]1[C@H](O)Cc1ccc(cc1)[*:1]
CC(C)c1noc(CCCC(=O)N[C@H]2CCS(=O)(=O)C2)n1 O=S1(=O)CC[C@@H](C1)[*:1] CC(C)c1noc(CCCC(=O)N[*:1])n1
CC(C)c1noc(CCCC(=O)N[C@H]2CCS(=O)(=O)C2)n1 CC(C)[*:1] O=C(CCCc1nc(no1)[*:1])N[C@H]1CCS(=O)(=O)C1
O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccco1 O=S1(=O)CCCN1[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1ccco1
O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(Cl)c(c1)N1CCCS1(=O)=O)[*:1]
CCOC(=O)Cc1n[nH]c(-c2ccco2)n1 CCOC(=O)[*:1] c1coc(c1)-c1nc(C[*:1])n[nH]1
CCOC(=O)Cc1n[nH]c(-c2ccco2)n1 c1coc(c1)[*:1] CCOC(=O)Cc1n[nH]c(n1)[*:1]
COc1ccc(Nc2ncnc(Nc3cc(C)ccn3)c2N)cc1 Cc1ccnc(c1)[*:1] COc1ccc(cc1)Nc1ncnc(N[*:1])c1N
COc1ccc(Nc2ncnc(Nc3cc(C)ccn3)c2N)cc1 COc1ccc(cc1)[*:1] Cc1ccnc(c1)Nc1ncnc(N[*:1])c1N
COc1ccc(Nc2ncnc(Nc3cc(C)ccn3)c2N)cc1 Cc1ccnc(c1)N[*:1] COc1ccc(cc1)Nc1ncnc(c1N)[*:1]
Cn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nc2ccccc2c1=O c1ccc(cc1)C[*:1] Cn1c(nc2ccccc2c1=O)SCC(=O)N(C(C)(C)C)[*:1]
Cn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nc2ccccc2c1=O c1ccc(cc1)[*:1] Cn1c(nc2ccccc2c1=O)SCC(=O)N(C[*:1])C(C)(C)C
Cn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nc2ccccc2c1=O CC(C)(C)[*:1] Cn1c(nc2ccccc2c1=O)SCC(=O)N(Cc1ccccc1)[*:1]
CCc1cnc(C[NH+](C)Cc2c(CC)nn(C)c2CC)s1 CCc1cnc(s1)[*:1] CCc1nn(C)c(CC)c1C[NH+](C)C[*:1]
CC(C)CC(C)(C)CNC(=O)CNC(=O)c1cccs1 CC(C)C[*:1] CC(C)(CNC(=O)CNC(=O)c1cccs1)[*:1]
CC(C)CC(C)(C)CNC(=O)CNC(=O)c1cccs1 c1csc(c1)[*:1] CC(C)CC(C)(C)CNC(=O)CNC(=O)[*:1]
CC(C)CC(C)(C)CNC(=O)CNC(=O)c1cccs1 CC(C)[*:1] CC(C)(CNC(=O)CNC(=O)c1cccs1)C[*:1]
CCCn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cc(OC)ccc21 CCC[*:1] COc1ccc2c(c1)s/c(=N\C(=O)[C@@H]1COc3ccccc3O1)n2[*:1]
C[NH+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Cc1ccco1 c1coc(c1)[*:1] C[NH+](CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)C[*:1]
COC(C)(C)c1noc(-c2cc(Br)cn2C(C)C)n1 COC(C)(C)[*:1] CC(C)n1cc(Br)cc1-c1nc(no1)[*:1]
COC(C)(C)c1noc(-c2cc(Br)cn2C(C)C)n1 CC(C)[*:1] COC(C)(C)c1noc(n1)-c1cc(Br)cn1[*:1]
COc1cccc2sc(NC(=O)OCC(F)(F)F)nc12 FC(F)(F)C[*:1] COc1cccc2sc(nc12)NC(=O)O[*:1]
COc1cccc2sc(NC(=O)OCC(F)(F)F)nc12 FC(F)(F)[*:1] COc1cccc2sc(nc12)NC(=O)OC[*:1]
Cc1ccc(C(=O)NC[C@H](c2cccnc2)N2CCOCC2)c(F)c1 C1CN(CCO1)[*:1] Cc1ccc(C(=O)NC[C@H](c2cccnc2)[*:1])c(F)c1
Cc1ccc(C(=O)NC[C@H](c2cccnc2)N2CCOCC2)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(NC[C@H](c1cccnc1)N1CCOCC1)[*:1]
Cc1ccc(C(=O)NC[C@H](c2cccnc2)N2CCOCC2)c(F)c1 c1cncc(c1)[*:1] Cc1ccc(C(=O)NC[C@H](N2CCOCC2)[*:1])c(F)c1
COc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc(Cl)c(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1cc(ccc1Cl)C(=O)N[C@@H](C)[C@@H](O)[*:1]
COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1CC(=O)Nc1cc(C)nn1[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 CC(=O)[*:1] COc1ccc(cc1CC(=O)Nc1cc(C)nn1-c1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1CC(=O)Nc1cc(C)nn1-c1ccc(cc1)[*:1])C(C)=O
CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1CC CCC[*:1] CCc1ccccc1NC(=O)N1CCn2c(C)ccc2[C@@H]1[*:1]
CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1CC CCc1ccccc1[*:1] CCC[C@H]1c2ccc(C)n2CCN1C(=O)N[*:1]
Cn1c(SCc2cccc(Cl)c2)nnc1[C@@H]1COc2ccccc2O1 Clc1cccc(c1)[*:1] Cn1c(nnc1[C@@H]1COc2ccccc2O1)SC[*:1]
Cn1c(SCc2cccc(Cl)c2)nnc1[C@@H]1COc2ccccc2O1 Clc1cccc(c1)C[*:1] Cn1c(nnc1[C@@H]1COc2ccccc2O1)S[*:1]
Cc1cc(C(=O)NNC(=O)NCCCSc2ccc(F)cc2)c(C)o1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)NNC(=O)NCCCS[*:1])c(C)o1
Cc1cc(C(=O)NNC(=O)NCCCSc2ccc(F)cc2)c(C)o1 Fc1ccc(cc1)S[*:1] Cc1cc(C(=O)NNC(=O)NCCC[*:1])c(C)o1
Cc1cc(C(=O)NNC(=O)NCCCSc2ccc(F)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NCCCSc1ccc(F)cc1)NNC(=O)[*:1]
CCCNC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 CCCNC(=O)N[*:1] O=C(NCc1cccs1)c1cc(ccc1Cl)[*:1]
CCCNC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 CCC[*:1] O=C(Nc1ccc(Cl)c(c1)C(=O)NCc1cccs1)N[*:1]
CCCNC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 c1csc(c1)C[*:1] CCCNC(=O)Nc1ccc(Cl)c(c1)C(=O)N[*:1]
CCCNC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 c1csc(c1)[*:1] CCCNC(=O)Nc1ccc(Cl)c(c1)C(=O)NC[*:1]
Cc1nn(Cc2ccc(C(=O)[O-])o2)c(C)c1C O=C([O-])[*:1] Cc1nn(Cc2ccc(o2)[*:1])c(C)c1C
O=C(NCC(C1CC1)C1CC1)N[C@H](c1ccc(Cl)cc1)c1ncon1 C1CC1C(C1CC1)[*:1] O=C(NC[*:1])N[C@H](c1ccc(Cl)cc1)c1ncon1
O=C(NCC(C1CC1)C1CC1)N[C@H](c1ccc(Cl)cc1)c1ncon1 C1CC1[*:1] O=C(NCC(C1CC1)[*:1])N[C@H](c1ccc(Cl)cc1)c1ncon1
O=C(NCC(C1CC1)C1CC1)N[C@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] O=C(NCC(C1CC1)C1CC1)N[C@H](c1ncon1)[*:1]
O=C(NCC(C1CC1)C1CC1)N[C@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] O=C(NCC(C1CC1)C1CC1)N[C@H](c1ccc(Cl)cc1)[*:1]
O=C(NCC(C1CC1)C1CC1)N[C@H](c1ccc(Cl)cc1)c1ncon1 C1CC1C(C[*:1])C1CC1 O=C(N[C@H](c1ccc(Cl)cc1)c1ncon1)N[*:1]
CC(C)[C@@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1ccc(F)c(F)c1F CC(C)[*:1] CC(C)(C)n1nnnc1S[C@@H](C(=O)Nc1ccc(F)c(F)c1F)[*:1]
CC(C)[C@@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1ccc(F)c(F)c1F CC(C)(C)[*:1] CC(C)[C@@H](Sc1nnnn1[*:1])C(=O)Nc1ccc(F)c(F)c1F
CC(C)[NH2+]C[C@@H]1CCCO[C@@H]1c1cc(Cl)cs1 CC(C)[*:1] Clc1csc(c1)[C@H]1OCCC[C@H]1C[NH2+][*:1]
O=C1OC(c2ccc(Br)cc2)=N/C1=C\Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1OC(=N/C1=C\Nc1ccc(Br)cc1)[*:1]
O=C1OC(c2ccc(Br)cc2)=N/C1=C\Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1OC(=N/C1=C\N[*:1])c1ccc(Br)cc1
CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3OC(F)F)cc2C1=O CCC[*:1] O=C(Nc1ccccc1OC(F)F)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3OC(F)F)cc2C1=O FC(F)[*:1] CCCCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1O[*:1]
CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3OC(F)F)cc2C1=O CCCC[*:1] O=C(Nc1ccccc1OC(F)F)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3OC(F)F)cc2C1=O FC(F)O[*:1] CCCCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1[*:1]
O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1Br Brc1ccccc1[*:1] O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)[*:1]
O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1Br O=C([O-])[*:1] O=S(=O)(Nc1cc2ccccc2cc1[*:1])c1ccccc1Br
C=CCNC(=O)NC(=O)Cn1cnc2ccc(C)cc2c1=O C=CC[*:1] Cc1ccc2ncn(CC(=O)NC(=O)N[*:1])c(=O)c2c1
CC[C@](C)(C(=O)Cc1cccc(F)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@](C)(C(=O)Cc1cccc(F)c1)[*:1]
CC(C)=CC(=O)Nc1c(F)cccc1Br CC(C)=C[*:1] O=C(Nc1c(F)cccc1Br)[*:1]
CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCCOc3ccc(C)cc32)c1 CC[C@@H](C)[*:1] Cc1ccc2OCCC[C@@H]([NH2+]Cc3cccc(c3)NC(=O)[*:1])c2c1
CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCCOc3ccc(C)cc32)c1 CC[C@@H](C)C(=O)N[*:1] Cc1ccc2OCCC[C@@H]([NH2+]Cc3cccc(c3)[*:1])c2c1
COc1ccc(C)cc1NC(=O)CSc1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1 COc1ccc(C)cc1[*:1] O=C(CSc1cc(ncn1)N1CCN(CC1)c1ccc(F)cc1)N[*:1]
COc1ccc(C)cc1NC(=O)CSc1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1 Fc1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)CSc1cc(ncn1)N1CCN(CC1)[*:1]
Cc1nn(C)c(Nc2cnn(CC(=O)NC3CCCC3)c2)c1[N+](=O)[O-] O=C(NC1CCCC1)[*:1] Cc1nn(C)c(Nc2cnn(c2)C[*:1])c1[N+](=O)[O-]
Cc1nn(C)c(Nc2cnn(CC(=O)NC3CCCC3)c2)c1[N+](=O)[O-] C1CCC(C1)[*:1] Cc1nn(C)c(Nc2cnn(c2)CC(=O)N[*:1])c1[N+](=O)[O-]
Cc1nn(C)c(Nc2cnn(CC(=O)NC3CCCC3)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)c(Nc2cnn(c2)CC(=O)NC2CCCC2)c1[*:1]
COC(=O)c1cccc(CCNC(=O)N[C@@H]2CCc3c(O)cccc32)c1 COC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])N[C@@H]1CCc2c(O)cccc21
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1 Cc1ccc(s1)C(=O)[*:1] O=C(CC[*:1])NNC(=O)c1cccc(c1)[N+](=O)[O-]
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] Cc1ccc(s1)C(=O)CCC(=O)NNC(=O)c1cccc(c1)[*:1]
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)s1 Cc1ccc(s1)[*:1] O=C(CCC(=O)[*:1])NNC(=O)c1cccc(c1)[N+](=O)[O-]
C[C@H]([NH2+][C@H](C)CCc1ccccc1)c1ccc(F)cn1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)CC[*:1])c1ccc(F)cn1
CC(C)NC(=O)COC(=O)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 CC(C)[*:1] O=C(COC(=O)c1cc(-c2ccccc2)n(n1)[C@H]1CCS(=O)(=O)C1)N[*:1]
CC(C)NC(=O)COC(=O)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 c1ccc(cc1)[*:1] CC(C)NC(=O)COC(=O)c1cc(n(n1)[C@H]1CCS(=O)(=O)C1)[*:1]
CC(C)NC(=O)COC(=O)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 CC(C)NC(=O)C[*:1] O=C(O[*:1])c1cc(-c2ccccc2)n(n1)[C@H]1CCS(=O)(=O)C1
CC(C)NC(=O)COC(=O)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 CC(C)NC(=O)[*:1] O=C(OC[*:1])c1cc(-c2ccccc2)n(n1)[C@H]1CCS(=O)(=O)C1
O=C(NCCc1ccc(-c2ccccc2)cc1)c1cnc2cc(-c3ccccc3)[nH]n2c1=O c1ccc(cc1)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1cnc2cc([nH]n2c1=O)-c1ccccc1
O=C(NCCc1ccc(-c2ccccc2)cc1)c1cnc2cc(-c3ccccc3)[nH]n2c1=O c1ccc(cc1)[*:1] O=C(NCCc1ccc(cc1)-c1ccccc1)c1cnc2cc([nH]n2c1=O)[*:1]
CC(C)C[NH2+]C[C@@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] CC(C)C[NH2+]C[C@@H]([C@H]1CCS(=O)(=O)C1)[*:1]
CC(C)C[NH2+]C[C@@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CC(C)C[NH2+]C[C@@H](c1ccc(Cl)cc1)[*:1]
CC(C)C[NH2+]C[C@@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=S1(=O)CC[C@@H](C1)[C@@H](C[NH2+]C[*:1])c1ccc(Cl)cc1
CC(C)C[NH2+]C[C@@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 CC(C)C[*:1] O=S1(=O)CC[C@@H](C1)[C@@H](C[NH2+][*:1])c1ccc(Cl)cc1
CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)nc2ccc(Cl)cc2c1=O CC(C)C[*:1] C[C@H](NC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1[*:1])c1ccc2OCCOc2c1
CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)nc2ccc(Cl)cc2c1=O c1cc2OCCOc2cc1[*:1] CC(C)Cn1c(nc2ccc(Cl)cc2c1=O)SCC(=O)N[C@@H](C)[*:1]
CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)nc2ccc(Cl)cc2c1=O CC(C)[*:1] C[C@H](NC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1C[*:1])c1ccc2OCCOc2c1
N#Cc1ccc(NC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 C1CCC(CC1)C[*:1] N#Cc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)C[*:1]
N#Cc1ccc(NC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 C1CCC(CC1)[*:1] N#Cc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)CC[*:1]
N#Cc1ccc(NC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CCC1CCCCC1)N1CCN(CC1)C(=O)N[*:1]
N#Cc1ccc(NC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 C1CCC(CC1)CC[*:1] N#Cc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)[*:1]
CCc1c(C(=O)NCC(=O)[O-])nnn1-c1ccc(Cl)cc1Cl O=C([O-])[*:1] CCc1c(nnn1-c1ccc(Cl)cc1Cl)C(=O)NC[*:1]
CCc1c(C(=O)NCC(=O)[O-])nnn1-c1ccc(Cl)cc1Cl O=C([O-])C[*:1] CCc1c(nnn1-c1ccc(Cl)cc1Cl)C(=O)N[*:1]
CCc1c(C(=O)NCC(=O)[O-])nnn1-c1ccc(Cl)cc1Cl O=C([O-])CNC(=O)[*:1] CCc1c(nnn1-c1ccc(Cl)cc1Cl)[*:1]
Cc1ccc(NC(=S)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1C Cc1ccc(cc1C)[*:1] S=C(N[*:1])N1CCC[C@H](C1)c1nc2ccccc2[nH]1
Cc1ccc(Oc2cccc(NC(=O)Cc3noc4ccccc34)c2)nn1 Cc1ccc(nn1)[*:1] O=C(Cc1noc2ccccc12)Nc1cccc(c1)O[*:1]
Cc1ccc(Oc2cccc(NC(=O)Cc3noc4ccccc34)c2)nn1 c1ccc2c(noc2c1)[*:1] Cc1ccc(nn1)Oc1cccc(c1)NC(=O)C[*:1]
Cc1ccc(Oc2cccc(NC(=O)Cc3noc4ccccc34)c2)nn1 Cc1ccc(nn1)O[*:1] O=C(Cc1noc2ccccc12)Nc1cccc(c1)[*:1]
Cc1cc(NC(=O)c2cn(C)nc2C(C)(C)C)cnc1Cl CC(C)(C)[*:1] Cc1cc(cnc1Cl)NC(=O)c1cn(C)nc1[*:1]
CCCCCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 CCC[*:1] C[C@@H](NC(=O)N1CCC(CC1)C(=O)NCC[*:1])c1ccc(C#N)cc1
CCCCCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] CCCCCNC(=O)C1CCN(CC1)C(=O)N[C@H](C)[*:1]
CCCCCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 CCCCC[*:1] C[C@@H](NC(=O)N1CCC(CC1)C(=O)N[*:1])c1ccc(C#N)cc1
CCCCCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 CCCCCNC(=O)[*:1] C[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(C#N)cc1
CCCCCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 CCCC[*:1] C[C@@H](NC(=O)N1CCC(CC1)C(=O)NC[*:1])c1ccc(C#N)cc1
COC(=O)CCN(C(=O)C=C(C)C)c1nc2ccccc2o1 COC(=O)[*:1] CC(C)=CC(=O)N(CC[*:1])c1nc2ccccc2o1
COC(=O)CCN(C(=O)C=C(C)C)c1nc2ccccc2o1 COC(=O)C[*:1] CC(C)=CC(=O)N(C[*:1])c1nc2ccccc2o1
COC(=O)CCN(C(=O)C=C(C)C)c1nc2ccccc2o1 CC(C)=C[*:1] COC(=O)CCN(C(=O)[*:1])c1nc2ccccc2o1
COC(=O)CCN(C(=O)C=C(C)C)c1nc2ccccc2o1 COC(=O)CC[*:1] CC(C)=CC(=O)N(c1nc2ccccc2o1)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)CNc2ccccc2Cl)cc1 Clc1ccccc1N[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)C[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)CNc2ccccc2Cl)cc1 CC[C@@H](C)NC(=O)[*:1] O=C(CNc1ccccc1Cl)Nc1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)CNc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)CN[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)CNc2ccccc2Cl)cc1 CC[C@@H](C)[*:1] O=C(CNc1ccccc1Cl)Nc1ccc(cc1)C(=O)N[*:1]
C#CCOc1ccccc1C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 C#CCO[*:1] Cc1cc(C(=O)NC2CC[NH+](CC2)Cc2ccccc2[*:1])c(C)o1
C#CCOc1ccccc1C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 C#CC[*:1] Cc1cc(C(=O)NC2CC[NH+](CC2)Cc2ccccc2O[*:1])c(C)o1
C#CCOc1ccccc1C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 Cc1cc(c(C)o1)[*:1] C#CCOc1ccccc1C[NH+]1CCC(CC1)NC(=O)[*:1]
O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CCC(OC[C@@H]2CCCCO2)CC1 C1CC[C@@H](C[*:1])OC1 O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CCC(CC1)O[*:1]
O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CCC(OC[C@@H]2CCCCO2)CC1 C1CC[C@H](OC1)[*:1] O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CCC(CC1)OC[*:1]
O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CCC(OC[C@@H]2CCCCO2)CC1 C1CC[C@@H](CO[*:1])OC1 O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CCC(CC1)[*:1]
O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CCC(OC[C@@H]2CCCCO2)CC1 C1CCC(CC1)[*:1] O=C(N[C@H]1C[C@@H]1[*:1])N1CCC(CC1)OC[C@@H]1CCCCO1
CCOC(=O)CN(C(=O)N(C)CC)C1CC1 CCOC(=O)[*:1] CCN(C)C(=O)N(C[*:1])C1CC1
CCOC(=O)CN(C(=O)N(C)CC)C1CC1 C1CC1[*:1] CCOC(=O)CN(C(=O)N(C)CC)[*:1]
CCOC(=O)c1ccc(CNc2ccc(C)cc2)o1 CCOC(=O)[*:1] Cc1ccc(cc1)NCc1ccc(o1)[*:1]
Cc1cc(C)c(S(=O)(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)c(C)c1 c1cc(ccn1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1cc(n(n1)C1CCCC1)[*:1]
Cc1cc(C)c(S(=O)(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=S(=O)(NCc1cc(-c2ccncc2)n(n1)C1CCCC1)[*:1]
Cc1cc(C)c(S(=O)(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)c(C)c1 C1CCC(C1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1cc(-c2ccncc2)n(n1)[*:1]
Cc1ccc(Cc2sc(NC(=O)C[C@H]3CCCO3)nc2C)cc1 Cc1ccc(cc1)[*:1] Cc1nc(NC(=O)C[C@H]2CCCO2)sc1C[*:1]
Cc1ccc(Cc2sc(NC(=O)C[C@H]3CCCO3)nc2C)cc1 C1CO[C@H](C1)C[*:1] Cc1ccc(cc1)Cc1sc(nc1C)NC(=O)[*:1]
Cc1ccc(Cc2sc(NC(=O)C[C@H]3CCCO3)nc2C)cc1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1)Cc1sc(nc1C)NC(=O)C[*:1]
O=C(Cn1cc(C2CC2)nn1)NC1c2ccccc2Oc2ccccc21 c1c(nnn1[*:1])C1CC1 O=C(C[*:1])NC1c2ccccc2Oc2ccccc21
O=C(Cn1cc(C2CC2)nn1)NC1c2ccccc2Oc2ccccc21 C1CC1[*:1] O=C(Cn1cc(nn1)[*:1])NC1c2ccccc2Oc2ccccc21
O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CSc1nnc2c(n1)[nH]c1ccccc12)N[*:1]
CC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)[C@](C)(N)C(F)(F)F O=C([O-])[*:1] CC[C@@H]1SC[C@H](N1C(=O)[C@](C)(N)C(F)(F)F)[*:1]
CC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)[C@](C)(N)[*:1]
C[C@H]1CCCN(C(=O)c2ccc(OCC(F)F)nc2)C1 FC(F)C[*:1] C[C@H]1CCCN(C1)C(=O)c1ccc(nc1)O[*:1]
C[C@H]1CCCN(C(=O)c2ccc(OCC(F)F)nc2)C1 FC(F)CO[*:1] C[C@H]1CCCN(C1)C(=O)c1ccc(nc1)[*:1]
C[C@H]1CCCN(C(=O)c2ccc(OCC(F)F)nc2)C1 FC(F)[*:1] C[C@H]1CCCN(C1)C(=O)c1ccc(nc1)OC[*:1]
Cc1nn(CC(C)C)c(Cl)c1CN1CCOC[C@H]1C#N CC(C)C[*:1] Cc1nn(c(Cl)c1CN1CCOC[C@H]1C#N)[*:1]
Cc1nn(CC(C)C)c(Cl)c1CN1CCOC[C@H]1C#N CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1CN1CCOC[C@H]1C#N
COC(=O)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2nc(C)no2)cc1 COC(=O)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@@H]1[*:1]
COC(=O)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2nc(C)no2)cc1 Cc1noc(n1)[*:1] COC(=O)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(cc1)[*:1]
CSC[C@@H](C)[NH2+]Cc1cccc2c1OCO2 CSC[*:1] C[C@@H]([NH2+]Cc1cccc2OCOc12)[*:1]
O=C1CN(C(=O)C2CCC(Cn3cnnn3)CC2)CCN1 c1nnnn1[*:1] O=C1CN(CCN1)C(=O)C1CCC(CC1)C[*:1]
O=C1CN(C(=O)C2CCC(Cn3cnnn3)CC2)CCN1 c1nnnn1C[*:1] O=C1CN(CCN1)C(=O)C1CCC(CC1)[*:1]
N#Cc1ccc(C(=O)N2CCCS/C2=N\c2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)C(=O)N1CCCS/C1=N\c1cccc(c1)[*:1]
N#Cc1ccc(C(=O)N2CCCS/C2=N\c2cccc(C(F)(F)F)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N1CCCS/C1=N\c1cccc(c1)C(F)(F)F)[*:1]
O=C(CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)NC1CC1 C1CC1[*:1] O=C(CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)N[*:1]
O=C(CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)NC1CC1 O=C(NC1CC1)[*:1] C1CCC2(CC1)C[C@@H](CCO2)[NH2+]CC[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N1CCN(CC1)[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2ccccc2)CC1 CC(C)O[*:1] O=C(Nc1cc(F)ccc1[*:1])C(=O)N1CCN(CC1)c1ccccc1
CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2ccccc2)CC1 CC(C)[*:1] O=C(Nc1cc(F)ccc1O[*:1])C(=O)N1CCN(CC1)c1ccccc1
Cc1ccccc1CCNC(=O)C[S@](=O)C1CCCCC1 Cc1ccccc1[*:1] O=C(C[S@](=O)C1CCCCC1)NCC[*:1]
Cc1ccccc1CCNC(=O)C[S@](=O)C1CCCCC1 C1CCC(CC1)[*:1] Cc1ccccc1CCNC(=O)C[S@](=O)[*:1]
CSCC[C@H]1NC(=S)N([C@@H](C)c2ccccc2Cl)C1=O CSCC[*:1] C[C@@H](c1ccccc1Cl)N1C(=O)[C@H](NC1=S)[*:1]
CSCC[C@H]1NC(=S)N([C@@H](C)c2ccccc2Cl)C1=O CSC[*:1] C[C@@H](c1ccccc1Cl)N1C(=O)[C@@H](C[*:1])NC1=S
COC(=O)[C@H](C)N(C(=O)CCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)CC[*:1] COC(=O)[C@H](C)N(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
COC(=O)[C@H](C)N(C(=O)CCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 COC(=O)[*:1] C[C@H](N(C(=O)CCC1CCCC1)[C@@H]1CCS(=O)(=O)C1)[*:1]
COC(=O)[C@H](C)N(C(=O)CCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 COC(=O)[C@H](C)[*:1] O=C(CCC1CCCC1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COC(=O)[C@H](C)N(C(=O)CCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)C[*:1] COC(=O)[C@H](C)N(C(=O)C[*:1])[C@@H]1CCS(=O)(=O)C1
COC(=O)[C@H](C)N(C(=O)CCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] COC(=O)[C@H](C)N(C(=O)CC[*:1])[C@@H]1CCS(=O)(=O)C1
COC(=O)[C@H](C)N(C(=O)CCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] COC(=O)[C@H](C)N(C(=O)CCC1CCCC1)[*:1]
Cc1cc(S(C)(=O)=O)ccc1NC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 CS(=O)(=O)[*:1] Cc1cc(ccc1NC(=O)/C=C/c1ccc(o1)[C@H]1C[C@H]1C)[*:1]
COC(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3cc(OC)ccc3s2)cc1 COC(=O)[*:1] COc1ccc2sc(nc2c1)N(Cc1ccco1)C(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3cc(OC)ccc3s2)cc1 COC(=O)c1ccc(cc1)[*:1] COc1ccc2sc(nc2c1)N(Cc1ccco1)C(=O)[*:1]
COC(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3cc(OC)ccc3s2)cc1 c1coc(c1)C[*:1] COC(=O)c1ccc(cc1)C(=O)N(c1nc2cc(ccc2s1)OC)[*:1]
COC(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3cc(OC)ccc3s2)cc1 c1coc(c1)[*:1] COC(=O)c1ccc(cc1)C(=O)N(C[*:1])c1nc2cc(ccc2s1)OC
CCc1cccc(CC)c1NC(=O)COc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCc1cccc(CC)c1NC(=O)COc1ccc(cc1)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 CCN(CC)C(=O)[*:1] O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(cc1)[*:1]
CCOc1cc(F)ccc1N[C@@H]1CSCCC1(C)C CCO[*:1] CC1(C)CCSC[C@H]1Nc1ccc(F)cc1[*:1]
CC[C@H](C)NC(=O)COc1ccc(F)cc1 CC[C@H](C)[*:1] O=C(COc1ccc(F)cc1)N[*:1]
Cc1nc(CSCC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)no1 Cc1nc(no1)[*:1] O=C(CSC[*:1])N1CCCC[C@H]1c1nc2ccccc2s1
Cc1nc(CSCC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)no1 Cc1nc(CS[*:1])no1 O=C(C[*:1])N1CCCC[C@H]1c1nc2ccccc2s1
Cc1nc(CSCC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)no1 Cc1nc(C[*:1])no1 O=C(CS[*:1])N1CCCC[C@H]1c1nc2ccccc2s1
CCn1c(C)cc(C(=O)Nc2cccc(OCCn3cncn3)c2)c1C c1ncn(CC[*:1])n1 CCn1c(C)cc(C(=O)Nc2cccc(c2)O[*:1])c1C
CCn1c(C)cc(C(=O)Nc2cccc(OCCn3cncn3)c2)c1C c1ncn(n1)[*:1] CCn1c(C)cc(C(=O)Nc2cccc(c2)OCC[*:1])c1C
CCn1c(C)cc(C(=O)Nc2cccc(OCCn3cncn3)c2)c1C c1ncn(CCO[*:1])n1 CCn1c(C)cc(C(=O)Nc2cccc(c2)[*:1])c1C
CCn1c(C)cc(C(=O)Nc2cccc(OCCn3cncn3)c2)c1C c1ncn(C[*:1])n1 CCn1c(C)cc(C(=O)Nc2cccc(c2)OC[*:1])c1C
Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N(Cc1ccco1)C[C@H]1CCCO1 c1coc(c1)C[*:1] Cc1ccc(cc1S(=O)(=O)N(C[C@H]1CCCO1)[*:1])-c1ccc(=O)[nH]n1
Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N(Cc1ccco1)C[C@H]1CCCO1 c1coc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C[C@H]1CCCO1)C[*:1])-c1ccc(=O)[nH]n1
Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N(Cc1ccco1)C[C@H]1CCCO1 O=c1ccc(n[nH]1)[*:1] Cc1ccc(cc1S(=O)(=O)N(Cc1ccco1)C[C@H]1CCCO1)[*:1]
COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1C2C(=O)OCC=2Nc2[nH]nc(C)c21
COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1C2C(=O)OCC=2Nc2[nH]nc(C)c21
COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])[C@@H]1C2C(=O)OCC=2Nc2[nH]nc(C)c21
CCc1ccc(N/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 CCc1ccc(cc1)[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C/N[*:1])C1CCCC1
CCc1ccc(N/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 C1CCC(C1)[*:1] CCc1ccc(cc1)N/C=C1/C(=O)N(C(=O)C(C#N)=C1C)[*:1]
CC(C)c1csc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n1 CC(C)[*:1] O=C(C[C@H]1CCCO1)N1CCC[C@H](C1)c1nc(cs1)[*:1]
CC(C)c1csc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n1 C1CO[C@H](C1)[*:1] CC(C)c1csc(n1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CC(C)c1csc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n1 C1CO[C@H](C1)C[*:1] CC(C)c1csc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
COCCCN1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O Fc1cccc(Cl)c1[*:1] COCCCN1COc2ccc3C(=O)C(=C[*:1])Oc3c2C1
COCCCN1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O COC[*:1] O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc1OCN(CC[*:1])Cc12
COCCCN1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O COCCC[*:1] O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc1OCN(Cc12)[*:1]
COCCCN1COc2ccc3c(c2C1)O/C(=C\c1c(F)cccc1Cl)C3=O COCC[*:1] O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc1OCN(Cc12)C[*:1]
C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1OC(F)(F)F FC(F)(F)O[*:1] C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1[*:1]
C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1OC(F)(F)F FC(F)(F)[*:1] C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1O[*:1]
C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1OC(F)(F)F C1CC1n1nnnc1[*:1] C[C@H](S[*:1])C(=O)Nc1ccccc1OC(F)(F)F
C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1OC(F)(F)F C1CC1[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)Nc1ccccc1OC(F)(F)F
O=S(=O)(c1cc(F)ccc1F)N1CCN(C2CC2)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCN(C[C@@H]1[*:1])C1CC1
O=S(=O)(c1cc(F)ccc1F)N1CCN(C2CC2)C[C@H]1c1ccccc1 C1CC1[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCN(C[C@H]1c1ccccc1)[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCN(C2CC2)C[C@H]1c1ccccc1 Fc1ccc(F)c(c1)[*:1] O=S(=O)(N1CCN(C[C@H]1c1ccccc1)C1CC1)[*:1]
C[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)c1cccc(c1)CS(C)(=O)=O)[*:1]
C[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)cc1Cl CS(=O)(=O)C[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])c1ccc(Cl)cc1Cl
C[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)cc1Cl CS(=O)(=O)[*:1] C[C@H](NC(=O)c1cccc(c1)C[*:1])c1ccc(Cl)cc1Cl
COc1cccc(-c2nn(C)cc2C[NH2+]C2CC2)c1 C1CC1[*:1] COc1cccc(c1)-c1nn(C)cc1C[NH2+][*:1]
O=C(NC[C@@H]1Cc2ccccc2O1)Nc1cccc(Cn2ccnc2)c1 c1cn(cn1)[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)Nc1cccc(c1)C[*:1]
O=C(NC[C@@H]1Cc2ccccc2O1)Nc1cccc(Cn2ccnc2)c1 c1cn(cn1)C[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)Nc1cccc(c1)[*:1]
Clc1ccc(-c2cnc(CSc3ncccn3)o2)cc1 c1cnc(nc1)[*:1] Clc1ccc(cc1)-c1cnc(CS[*:1])o1
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccs1 c1csc(c1)[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccs1 Fc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1cccs1
CC1(C)C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)C(C)(C)O1 c1ccc(cc1)[*:1] CC1(C)C[C@H]([NH2+]CCNS(=O)(=O)[*:1])C(C)(C)O1
COC(=O)[C@H]1CN(S(=O)(=O)c2c[nH]nc2N)C[C@@H]1C Nc1n[nH]cc1[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)S(=O)(=O)[*:1]
COC(=O)[C@H]1CN(S(=O)(=O)c2c[nH]nc2N)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@@H]1[*:1])S(=O)(=O)c1c[nH]nc1N
CCCCC[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc2cccnc12 CCC[*:1] Cc1cc(NC(=O)C(=O)N[C@H](C)CC[*:1])c2ncccc2c1
CCCCC[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc2cccnc12 CCCCC[*:1] Cc1cc(NC(=O)C(=O)N[C@H](C)[*:1])c2ncccc2c1
CCCCC[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc2cccnc12 CCCC[*:1] Cc1cc(NC(=O)C(=O)N[C@H](C)C[*:1])c2ncccc2c1
CCCCC[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc2cccnc12 CCCCC[C@@H](C)[*:1] Cc1cc(NC(=O)C(=O)N[*:1])c2ncccc2c1
CCCS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(I)s1 CCCS(=O)(=O)[*:1] O=C(NCCc1ccc(I)s1)c1ccccc1[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(I)s1 CCC[*:1] O=C(NCCc1ccc(I)s1)c1ccccc1S(=O)(=O)[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(I)s1 Ic1ccc(C[*:1])s1 CCCS(=O)(=O)c1ccccc1C(=O)NC[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(I)s1 Ic1ccc(s1)[*:1] CCCS(=O)(=O)c1ccccc1C(=O)NCC[*:1]
Cc1cccn2cc(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc12 c1ccc(cc1)[*:1] Cc1cccn2cc(CNS(=O)(=O)c3ccc(cc3)[*:1])nc12
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1cccnc1 FC(F)(F)c1ccccc1[*:1] CC1(C)CC(=O)C2=C(C1)N(C(=O)C[C@H]2c1cccnc1)[*:1]
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1cccnc1 c1cncc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(=O)C[C@@H]2[*:1])c1ccccc1C(F)(F)F
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1cccnc1 FC(F)(F)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(=O)C[C@H]2c1cccnc1)c1ccccc1[*:1]
Cc1cccc2sc(OC3CCN(C(=O)/C=C/c4ccco4)CC3)nc12 c1coc(c1)[*:1] Cc1cccc2sc(nc12)OC1CCN(CC1)C(=O)C=C[*:1]
Cc1cccc2sc(OC3CCN(C(=O)/C=C/c4ccco4)CC3)nc12 C(=C[*:1])c1ccco1 Cc1cccc2sc(nc12)OC1CCN(CC1)C(=O)[*:1]
c1ccc(CN2CCN(c3ncnc4c3nc3n4CCCC3)CC2)cc1 c1ccc(cc1)C[*:1] c1nc(c2nc3CCCCn3c2n1)N1CCN(CC1)[*:1]
c1ccc(CN2CCN(c3ncnc4c3nc3n4CCCC3)CC2)cc1 c1ccc(cc1)[*:1] c1nc(c2nc3CCCCn3c2n1)N1CCN(CC1)C[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(Nc1nnc(s1)C(F)(F)F)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)C1CCN(C(=O)C2CC2)CC1 FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])C1CCN(CC1)C(=O)C1CC1
CCN(C(=O)[C@H](C)Nc1ccc(F)c(NC(C)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@H](C)Nc1ccc(F)c(c1)NC(C)=O)[*:1]
CCN(C(=O)[C@H](C)Nc1ccc(F)c(NC(C)=O)c1)c1ccccc1 CC(=O)N[*:1] CCN(C(=O)[C@H](C)Nc1ccc(F)c(c1)[*:1])c1ccccc1
C[C@@H](NC(=O)NNc1ccc(F)cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)NNc1ccc(F)cc1)[*:1]
Cc1ccc(S(=O)(=O)CC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@@H](NC(=O)CS(=O)(=O)[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)CC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)N[C@H](c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)CC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)N[C@H](CC(C)C)[*:1]
Cc1ccc(S(=O)(=O)CC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)N[C@H](C[*:1])c1ccccc1
CC(C)NC(=O)CC[NH2+]C[C@H]1CCCc2ccccc21 CC(C)[*:1] O=C(CC[NH2+]C[C@H]1CCCc2ccccc21)N[*:1]
CC(C)NC(=O)CC[NH2+]C[C@H]1CCCc2ccccc21 CC(C)NC(=O)[*:1] c1ccc2c(c1)CCC[C@@H]2C[NH2+]CC[*:1]
COc1cccc(C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
COc1cccc(C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccc(Cl)cc2)c1 COc1cccc(c1)[*:1] O=C(N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccc(Cl)cc1)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc3c(c2)CCC3)c1 CCC(=O)N[*:1] Cc1ccc(cc1NC(=O)NCc1ccc2CCCc2c1)[*:1]
CCNc1ncc(Br)cc1C CCN[*:1] Cc1cc(Br)cnc1[*:1]
O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cccnc1 C1CCC(CC1)[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1cccnc1
O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cccnc1 c1cncc(c1)[*:1] O=C(NC1CCCCC1)c1ccccc1NC(=O)[*:1]
CC/C=C(/C)C(=O)Nc1ccc(OC)c(OC(F)F)c1 CCC=C(C)[*:1] COc1ccc(cc1OC(F)F)NC(=O)[*:1]
CC/C=C(/C)C(=O)Nc1ccc(OC)c(OC(F)F)c1 FC(F)[*:1] CC/C=C(/C)C(=O)Nc1ccc(OC)c(c1)O[*:1]
CC/C=C(/C)C(=O)Nc1ccc(OC)c(OC(F)F)c1 FC(F)O[*:1] CC/C=C(/C)C(=O)Nc1ccc(OC)c(c1)[*:1]
C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1cccc(Cl)c1 c1cncc(c1)[*:1] C[C@@H](NC(=O)c1cc(nc2c1cnn2Cc1ccco1)[*:1])c1cccc(Cl)c1
C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1cccc(Cl)c1 c1coc(c1)[*:1] C[C@@H](NC(=O)c1cc(nc2c1cnn2C[*:1])-c1cccnc1)c1cccc(Cl)c1
C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)c1cc(nc2c1cnn2Cc1ccco1)-c1cccnc1)[*:1]
C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1cccc(Cl)c1 c1coc(c1)C[*:1] C[C@@H](NC(=O)c1cc(nc2c1cnn2[*:1])-c1cccnc1)c1cccc(Cl)c1
CCCCC(=O)Nc1nnc(SC[C@H]2[NH+]=c3ccccc3=[NH+]C2=O)s1 CCCC[*:1] O=C1[NH+]=c2ccccc2=[NH+][C@@H]1CSc1nnc(NC(=O)[*:1])s1
CCCCC(=O)Nc1nnc(SC[C@H]2[NH+]=c3ccccc3=[NH+]C2=O)s1 CCCCC(=O)N[*:1] O=C1[NH+]=c2ccccc2=[NH+][C@@H]1CSc1nnc(s1)[*:1]
CCCCC(=O)Nc1nnc(SC[C@H]2[NH+]=c3ccccc3=[NH+]C2=O)s1 CCC[*:1] O=C(C[*:1])Nc1nnc(SC[C@H]2[NH+]=c3ccccc3=[NH+]C2=O)s1
CCOC(=O)c1s/c(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)n(C)c1C CCOC(=O)[*:1] Cc1c(s/c(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)n1C)[*:1]
CCOC(=O)c1s/c(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)n(C)c1C Clc1ccc(s1)[*:1] CCOC(=O)c1s/c(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)[*:1])n(C)c1C
C=C[C@@H](C)Oc1c(F)cc(C[C@@H](C)[NH3+])cc1F C[C@@H]([NH3+])C[*:1] C=C[C@@H](C)Oc1c(F)cc(cc1F)[*:1]
C=C[C@@H](C)Oc1c(F)cc(C[C@@H](C)[NH3+])cc1F C=C[C@@H](C)[*:1] C[C@@H]([NH3+])Cc1cc(F)c(O[*:1])c(F)c1
C=C[C@@H](C)Oc1c(F)cc(C[C@@H](C)[NH3+])cc1F C=C[C@@H](C)O[*:1] C[C@@H]([NH3+])Cc1cc(F)c(c(F)c1)[*:1]
CO[C@H]1CCC[C@H](C(=O)N(C[C@H]2CCCO2)c2nc3c(s2)CCc2c-3cnn2C)C1 C1CO[C@H](C1)[*:1] CO[C@H]1CCC[C@@H](C1)C(=O)N(C[*:1])c1nc2-c3cnn(C)c3CCc2s1
CO[C@H]1CCC[C@H](C(=O)N(C[C@H]2CCCO2)c2nc3c(s2)CCc2c-3cnn2C)C1 C1CO[C@H](C1)C[*:1] CO[C@H]1CCC[C@@H](C1)C(=O)N(c1nc2-c3cnn(C)c3CCc2s1)[*:1]
CCCNC(=O)C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 CCC[*:1] O=C(Nc1cccc(c1)NC(=O)C(=O)N[*:1])Nc1cccc2CCCCc21
CCCNC(=O)C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1 CCCNC(=O)C(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])Nc1cccc2CCCCc21
COc1cccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(F)c4)c3N)c(C)o2)c1OC COc1cccc(c1OC)[*:1] Cc1oc(nc1Cn1nnc(C(=O)Nc2cccc(F)c2)c1N)[*:1]
COc1cccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(F)c4)c3N)c(C)o2)c1OC O=C(Nc1cccc(F)c1)[*:1] COc1cccc(-c2nc(Cn3nnc(c3N)[*:1])c(C)o2)c1OC
COc1cccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(F)c4)c3N)c(C)o2)c1OC Fc1cccc(c1)[*:1] COc1cccc(-c2nc(Cn3nnc(C(=O)N[*:1])c3N)c(C)o2)c1OC
COc1cc(NS(C)(=O)=O)c(OC)cc1Cl CS(=O)(=O)N[*:1] COc1cc(c(cc1Cl)OC)[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1cc(ccc1F)[*:1]
C[C@@H]1CCCN(C(=O)Nc2ccc(-c3csnn3)cc2)CC1 c1snnc1[*:1] C[C@@H]1CCCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
O=C(Cc1ccccc1Cl)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] O=C(Cc1ccccc1Cl)Nc1ccc(cc1)[*:1]
CCN(C(=O)CSc1nncn1C1CC1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] CCN(C(=O)CSc1nncn1[*:1])[C@@H]1CCS(=O)(=O)C1
CCN(C(=O)CSc1nncn1C1CC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)CSc1nncn1C1CC1)[*:1]
CCC[NH2+][C@H](CSC1COC1)c1ccc2ccccc2c1 CCC[*:1] c1ccc2cc(ccc2c1)[C@@H](CSC1COC1)[NH2+][*:1]
CCC[NH2+][C@H](CSC1COC1)c1ccc2ccccc2c1 C1OCC1S[*:1] CCC[NH2+][C@H](C[*:1])c1ccc2ccccc2c1
CCC[NH2+][C@H](CSC1COC1)c1ccc2ccccc2c1 C1OCC1[*:1] CCC[NH2+][C@H](CS[*:1])c1ccc2ccccc2c1
Cc1cc(CN[C@@H](C)C#N)cc(C)c1F C[C@@H](C#N)N[*:1] Cc1cc(cc(C)c1F)C[*:1]
Cc1cc(CN[C@@H](C)C#N)cc(C)c1F C[C@@H](C#N)[*:1] Cc1cc(cc(C)c1F)CN[*:1]
O=C(NCc1ccccc1F)c1cncc([C@H]2CCC[NH2+]2)n1 Fc1ccccc1[*:1] O=C(NC[*:1])c1cncc(n1)[C@H]1CCC[NH2+]1
C=CCNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 C=CC[*:1] O=C(Cn1c(COc2ccccc2)nc2ccccc21)N[*:1]
C=CCNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 C=CCNC(=O)C[*:1] c1ccc(cc1)OCc1nc2ccccc2n1[*:1]
C=CCNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 C=CCNC(=O)[*:1] c1ccc(cc1)OCc1nc2ccccc2n1C[*:1]
C=CCNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 c1ccc(cc1)OC[*:1] C=CCNC(=O)Cn1c(nc2ccccc21)[*:1]
C=CCNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 c1ccc(cc1)O[*:1] C=CCNC(=O)Cn1c(C[*:1])nc2ccccc21
C=CCNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] C=CCNC(=O)Cn1c(CO[*:1])nc2ccccc21
C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(c2[nH+]ccn2C)CC1 Clc1ccc(cc1)[*:1] C[C@H](c1ncc(o1)[*:1])N1CCN(CC1)c1[nH+]ccn1C
CCN(C[C@@H](C)C#N)C(=O)Cc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCN(C[C@@H](C)C#N)C(=O)Cc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1Cl c1cnc(cn1)[*:1] CCOc1ccc(cc1Cl)NC(=O)C1CCN(CC1)[*:1]
CCOc1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1Cl CCO[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])C1CCN(CC1)c1cnccn1
CCOC(=O)N[C@@H]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 CCOC(=O)N[*:1] N#Cc1ccc(/C=C/C(=O)N2CCC[C@H](C2)[*:1])cc1
CCOC(=O)N[C@@H]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 N#Cc1ccc(cc1)[*:1] CCOC(=O)N[C@@H]1CCCN(C1)C(=O)C=C[*:1]
CCOc1nc(O[C@@H]2CCC[C@H](C)C2)ccc1N CCO[*:1] C[C@H]1CCC[C@H](C1)Oc1ccc(N)c(n1)[*:1]
CC(C)n1ncc2cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cnc21 CC(C)[*:1] O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cnc2c(cnn2[*:1])c1
CC(C)n1ncc2cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cnc21 c1csc(c1)[*:1] CC(C)n1ncc2cc(cnc21)C(=O)NC[C@@H](N1CCOCC1)[*:1]
CC(C)n1ncc2cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cnc21 C1CN(CCO1)[*:1] CC(C)n1ncc2cc(cnc21)C(=O)NC[C@@H](c1cccs1)[*:1]
CC[C@H](C)[NH+]1CCN([C@H]2CC[C@@](CO)([NH2+]C)C2)CC1 CC[C@H](C)[*:1] C[NH2+][C@]1(CO)CC[C@@H](C1)N1CC[NH+](CC1)[*:1]
Fc1cc(Br)ccc1CNc1ccc(-c2nnco2)cc1 c1nnc(o1)[*:1] Fc1cc(Br)ccc1CNc1ccc(cc1)[*:1]
COc1ccc([C@@H](CNC(=O)[C@H]2CCC(=O)N2)[NH+]2CCCC2)cc1 O=C1CC[C@@H](N1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+]1CCCC1
COc1ccc([C@@H](CNC(=O)[C@H]2CCC(=O)N2)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C1CC[C@@H](N1)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCNC(=O)C3)[C@@H]4C2=O)c1 O=C1CN(CCN1)C(=O)[*:1] COc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@@H]([C@@H]3C1=O)[*:1]
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCNC(=O)C3)[C@@H]4C2=O)c1 COc1cccc(c1)[*:1] O=C1CN(CCN1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@@H]13)O2
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCNC(=O)C3)[C@@H]4C2=O)c1 COc1cccc(c1)C[*:1] O=C1CN(CCN1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
CCSc1cc(C(=O)NCc2nc(-c3cccs3)n[nH]2)ccn1 c1csc(c1)[*:1] CCSc1cc(ccn1)C(=O)NCc1nc(n[nH]1)[*:1]
CCSc1cc(C(=O)NCc2nc(-c3cccs3)n[nH]2)ccn1 CCS[*:1] O=C(NCc1nc(n[nH]1)-c1cccs1)c1ccnc(c1)[*:1]
CCCN[C@]1(C#N)CC[C@@H](N2CCOCC2)C1 CCCN[*:1] N#C[C@@]1(CC[C@H](C1)N1CCOCC1)[*:1]
CCCN[C@]1(C#N)CC[C@@H](N2CCOCC2)C1 CCC[*:1] N#C[C@]1(CC[C@H](C1)N1CCOCC1)N[*:1]
COc1ccccc1N1C[C@@H](C(=O)Nc2cccc(-n3cnnn3)c2)CC1=O c1nnnn1[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
COc1ccccc1N1C[C@@H](C(=O)Nc2cccc(-n3cnnn3)c2)CC1=O COc1ccccc1[*:1] O=C(Nc1cccc(c1)-n1cnnn1)[C@H]1CC(=O)N(C1)[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 CN(C)S(=O)(=O)[*:1] O=C(COc1ccc(Br)cc1Cl)Nc1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 Clc1cc(Br)ccc1[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)CO[*:1]
CCC[NH2+][C@@H](c1cscc1C)c1cc(C)cnc1N Cc1cscc1[*:1] CCC[NH2+][C@@H](c1cc(C)cnc1N)[*:1]
CCC[NH2+][C@@H](c1cscc1C)c1cc(C)cnc1N CCC[*:1] Cc1cnc(N)c(c1)[C@@H]([NH2+][*:1])c1cscc1C
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1ccc(F)cc1 c1coc(c1)[*:1] O=C(CSc1nnc(C2CC2)n1C[*:1])Nc1ccc(F)cc1
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1ccc(F)cc1 c1coc(c1)C[*:1] O=C(CSc1nnc(C2CC2)n1[*:1])Nc1ccc(F)cc1
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1ccc(F)cc1 C1CC1[*:1] O=C(CSc1nnc(n1Cc1ccco1)[*:1])Nc1ccc(F)cc1
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(C2CC2)n1Cc1ccco1)N[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)CC1 C1CC1[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)CC1 Cc1ccc(Cl)cc1[*:1] O=C(C1CN(C1)S(=O)(=O)C1CC1)N1CCN(CC1)[*:1]
CCOc1ccccc1NC(=O)c1cc2cc3ccc(OC)cc3nc2o1 CCO[*:1] COc1ccc2cc3cc(oc3nc2c1)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)c1cc2cc3ccc(OC)cc3nc2o1 CCOc1ccccc1[*:1] COc1ccc2cc3cc(oc3nc2c1)C(=O)N[*:1]
Cc1cnn(-c2ccc(C(=O)N[C@@H]3CC[C@H]([NH+](C)C)C3)cc2)c1 Cc1cnn(c1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)Nc1cccc2ccccc12 Cc1cccc(C)c1[*:1] O=C(CNC(=O)Nc1cccc2ccccc12)N[*:1]
CC[C@@H](NC(=O)[C@H](C)Sc1ccccn1)c1cccc([N+](=O)[O-])c1 c1ccc(nc1)[*:1] CC[C@@H](NC(=O)[C@H](C)S[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@@H](NC(=O)[C@H](C)Sc1ccccn1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](NC(=O)[C@H](C)Sc1ccccn1)c1cccc(c1)[*:1]
CC[C@@H](NC(=O)[C@H](C)Sc1ccccn1)c1cccc([N+](=O)[O-])c1 c1ccc(nc1)S[*:1] CC[C@@H](NC(=O)[C@H](C)[*:1])c1cccc(c1)[N+](=O)[O-]
C/C(=N\N=C\c1ccc(F)cc1)c1nnn(-c2nonc2N)c1C Fc1ccc(cc1)[*:1] C/C(=N\N=C[*:1])c1nnn(-c2nonc2N)c1C
C/C(=N\N=C\c1ccc(F)cc1)c1nnn(-c2nonc2N)c1C Nc1nonc1[*:1] C/C(=N\N=C\c1ccc(F)cc1)c1nnn(c1C)[*:1]
C/[NH+]=C(/NCCS(C)(=O)=O)N1C[C@H](C)C[C@@H](C)C1 CS(=O)(=O)C[*:1] C/[NH+]=C(/NC[*:1])N1C[C@H](C)C[C@@H](C)C1
C/[NH+]=C(/NCCS(C)(=O)=O)N1C[C@H](C)C[C@@H](C)C1 CS(=O)(=O)CC[*:1] C/[NH+]=C(/N[*:1])N1C[C@H](C)C[C@@H](C)C1
C/[NH+]=C(/NCCS(C)(=O)=O)N1C[C@H](C)C[C@@H](C)C1 CS(=O)(=O)[*:1] C/[NH+]=C(/NCC[*:1])N1C[C@H](C)C[C@@H](C)C1
COc1ccc(NC(=O)Cn2c(=O)n(Cc3cccc(Cl)c3)c(=O)c3ccccc32)cc1F COc1ccc(cc1F)[*:1] O=C(Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21)N[*:1]
COc1ccc(NC(=O)Cn2c(=O)n(Cc3cccc(Cl)c3)c(=O)c3ccccc32)cc1F Clc1cccc(c1)[*:1] COc1ccc(cc1F)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2ccccc21
COc1ccc(NC(=O)Cn2c(=O)n(Cc3cccc(Cl)c3)c(=O)c3ccccc32)cc1F Clc1cccc(c1)C[*:1] COc1ccc(cc1F)NC(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H](O)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H](O)[*:1]
C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H](O)c1c(F)cccc1F Fc1cccc(c1)[*:1] C[C@@H](CC(=O)N[*:1])[NH2+]C[C@H](O)c1c(F)cccc1F
CN(CC(C)(C)C)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 CC(C)(C)C[*:1] CN(C(=O)c1ccc(cc1)CNC(=O)C1CCCC1)[*:1]
CN(CC(C)(C)C)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 CC(C)(C)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)CNC(=O)C1CCCC1
CN(CC(C)(C)C)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] CN(CC(C)(C)C)C(=O)c1ccc(cc1)CNC(=O)[*:1]
CN(CC(C)(C)C)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 O=C(N[*:1])C1CCCC1 CN(CC(C)(C)C)C(=O)c1ccc(cc1)C[*:1]
Cc1cc(NCC(=O)NCCc2ccccc2)ccc1-n1cnnn1 c1ccc(cc1)C[*:1] Cc1cc(ccc1-n1cnnn1)NCC(=O)NC[*:1]
Cc1cc(NCC(=O)NCCc2ccccc2)ccc1-n1cnnn1 c1ccc(cc1)CC[*:1] Cc1cc(ccc1-n1cnnn1)NCC(=O)N[*:1]
Cc1cc(NCC(=O)NCCc2ccccc2)ccc1-n1cnnn1 c1ccc(cc1)[*:1] Cc1cc(ccc1-n1cnnn1)NCC(=O)NCC[*:1]
Cc1cc(NCC(=O)NCCc2ccccc2)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])NCC(=O)NCCc1ccccc1
CC(C)(C)OC(=O)N1CCO[C@H](C(N)=O)C1 CC(C)(C)[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCO[C@H](C(N)=O)C1 NC(=O)[*:1] CC(C)(C)OC(=O)N1CCO[C@H](C1)[*:1]
O[C@@H](Cc1cnccn1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O[C@@H](Cc1cnccn1)c1ccc(cc1)[*:1]
O[C@@H](Cc1cnccn1)c1ccc(C(F)(F)F)cc1 c1cnc(cn1)[*:1] O[C@@H](C[*:1])c1ccc(cc1)C(F)(F)F
C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)C[C@@H](C)O1 Clc1ccc(nn1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)[C@@H]1CCCN(C1)[*:1]
COc1ccnc(N2CCC(C(=O)N[C@@H]3C[C@@H]4CCCc5cccc3c54)CC2)n1 COc1ccnc(n1)[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)C1CCN(CC1)[*:1]
CCC(CC)(C(=O)c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] CCC(CC)(C(=O)[*:1])[NH+]1CCCC1
CCN(C(=O)CSCc1cccc(C(N)=O)c1)C1CC1 C1CC1[*:1] CCN(C(=O)CSCc1cccc(c1)C(N)=O)[*:1]
CCN(C(=O)CSCc1cccc(C(N)=O)c1)C1CC1 NC(=O)[*:1] CCN(C(=O)CSCc1cccc(c1)[*:1])C1CC1
CCn1cnc(S(=O)(=O)N2CCN(CC(N)=[NH2+])CC2)c1 NC(=[NH2+])[*:1] CCn1cnc(c1)S(=O)(=O)N1CCN(CC1)C[*:1]
CCn1cnc(S(=O)(=O)N2CCN(CC(N)=[NH2+])CC2)c1 NC(=[NH2+])C[*:1] CCn1cnc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
O=C(Nc1cccc(Nc2ccccc2)c1)c1cnccn1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)N[*:1])c1cnccn1
O=C(Nc1cccc(Nc2ccccc2)c1)c1cnccn1 c1ccc(cc1)N[*:1] O=C(Nc1cccc(c1)[*:1])c1cnccn1
O=C(Nc1cccc(Nc2ccccc2)c1)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1cccc(c1)Nc1ccccc1)[*:1]
CS(=O)(=O)CC[NH2+]C1CCCCCC1 CS(=O)(=O)[*:1] C1CCCC(CC1)[NH2+]CC[*:1]
CCCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc(F)cc1F CCC[*:1] Cc1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)n1[*:1]
CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NC2CCCCC2)cn3C2CC2)CC1 C1CCC(CC1)[*:1] CC(=O)N1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)N[*:1]
CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NC2CCCCC2)cn3C2CC2)CC1 C1CC1[*:1] CC(=O)N1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2[*:1])C(=O)NC1CCCCC1
CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NC2CCCCC2)cn3C2CC2)CC1 CC(=O)N1CCN(CC1)[*:1] O=C(NC1CCCCC1)c1cn(c2cc(c(F)cc2c1=O)[*:1])C1CC1
CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NC2CCCCC2)cn3C2CC2)CC1 O=C(NC1CCCCC1)[*:1] CC(=O)N1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)[*:1]
O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCNC1=O O=C1NCCN1C(=O)[*:1] O=S(=O)(c1cccc(c1)NC[*:1])N1CCCCCC1
COc1cccc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1 COc1cccc(c1)[*:1] O=C(COC(=O)C=C[*:1])Nc1cccc(Cl)c1Cl
COc1cccc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1 Clc1cccc(c1Cl)[*:1] COc1cccc(/C=C/C(=O)OCC(=O)N[*:1])c1
Cc1sc2nc(CN3CCOCC3)nc(N3CC[NH+](CC(=O)Nc4ccc(F)cc4)CC3)c2c1C O=C(Nc1ccc(F)cc1)[*:1] Cc1sc2nc(CN3CCOCC3)nc(c2c1C)N1CC[NH+](CC1)C[*:1]
Cc1sc2nc(CN3CCOCC3)nc(N3CC[NH+](CC(=O)Nc4ccc(F)cc4)CC3)c2c1C O=C(C[*:1])Nc1ccc(F)cc1 Cc1sc2nc(CN3CCOCC3)nc(c2c1C)N1CC[NH+](CC1)[*:1]
Cc1sc2nc(CN3CCOCC3)nc(N3CC[NH+](CC(=O)Nc4ccc(F)cc4)CC3)c2c1C C1CN(CCO1)[*:1] Cc1sc2nc(C[*:1])nc(c2c1C)N1CC[NH+](CC1)CC(=O)Nc1ccc(F)cc1
Cc1sc2nc(CN3CCOCC3)nc(N3CC[NH+](CC(=O)Nc4ccc(F)cc4)CC3)c2c1C Fc1ccc(cc1)[*:1] Cc1sc2nc(CN3CCOCC3)nc(c2c1C)N1CC[NH+](CC1)CC(=O)N[*:1]
Cc1sc2nc(CN3CCOCC3)nc(N3CC[NH+](CC(=O)Nc4ccc(F)cc4)CC3)c2c1C C1CN(CCO1)C[*:1] Cc1sc2nc(nc(c2c1C)N1CC[NH+](CC1)CC(=O)Nc1ccc(F)cc1)[*:1]
C[C@H](Cn1cccn1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 c1cnn(c1)C[*:1] C[C@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[*:1]
C[C@H](Cn1cccn1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 C[C@H](Cn1cccn1)[*:1] C[NH+]1CCN(CC1)c1ncccc1CNC(=O)[*:1]
C[C@H](Cn1cccn1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 c1cnn(c1)[*:1] C[C@H](C[*:1])C(=O)NCc1cccnc1N1CC[NH+](C)CC1
COc1cc2c(cc1[C@H]1N=C3C=NN(Cc4cccc(F)c4)[C@H]3N1)OCO2 Fc1cccc(c1)[*:1] COc1cc2OCOc2cc1[C@H]1N=C2C=NN(C[*:1])[C@H]2N1
COc1cc2c(cc1[C@H]1N=C3C=NN(Cc4cccc(F)c4)[C@H]3N1)OCO2 Fc1cccc(c1)C[*:1] COc1cc2OCOc2cc1[C@H]1N=C2C=NN([C@H]2N1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)C1 Fc1cccc(c1)O[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)C1 Fc1cccc(c1)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1)O[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)C1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)Oc1cccc(F)c1)N1CCC[C@H](C1)[*:1]
C[C@@]1(c2ccncc2)C[NH+]=C(N)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@]1(C[NH+]=C(N)N1C[*:1])c1ccncc1
C[C@@]1(c2ccncc2)C[NH+]=C(N)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@]1(C[NH+]=C(N)N1[*:1])c1ccncc1
C[C@@]1(c2ccncc2)C[NH+]=C(N)N1C[C@@H]1CCCO1 c1cc(ccn1)[*:1] C[C@]1(C[NH+]=C(N)N1C[C@@H]1CCCO1)[*:1]
C[C@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](SCc1nc2sc3CCCCc3c2c(=O)[nH]1)[*:1]
COc1ccc(Br)cc1CN(C)C(=O)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] COc1ccc(Br)cc1CN(C)C(=O)c1ccc(cc1)[*:1]
O=C1CS(=O)(=O)[C@@]2(CCS(=O)(=O)C2)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1CS(=O)(=O)[C@@]2(CCS(=O)(=O)C2)N1[*:1]
CCOc1ccc(CN(C(=O)c2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 CCO[*:1] O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
CCOc1ccc(CN(C(=O)c2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 Clc1ccc(c(Cl)c1)[*:1] CCOc1ccc(cc1)CN(C(=O)[*:1])[C@H]1CCS(=O)(=O)C1
CCOc1ccc(CN(C(=O)c2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 CCOc1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1Cl)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(CSc1ncccn1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1cnc(nc1)[*:1] O=C(CS[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
O=C(CSc1ncccn1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1cnc(nc1)S[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
O=C(CSc1ncccn1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1cnc(nc1)SC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
CC(C)(C)[C@@H](NC(=O)c1cc([N-]S(C)(=O)=O)ccc1O)c1cccs1 CC(C)(C)[*:1] CS(=O)(=O)[N-]c1ccc(O)c(c1)C(=O)N[C@@H](c1cccs1)[*:1]
CC(C)(C)[C@@H](NC(=O)c1cc([N-]S(C)(=O)=O)ccc1O)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@@H](NC(=O)c1cc(ccc1O)[N-]S(C)(=O)=O)[*:1]
NC(=O)[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1ccccc1 NC(=O)[*:1] Brc1ccccc1-c1n[nH]c(n1)S[C@H](c1ccccc1)[*:1]
NC(=O)[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](Sc1nc(n[nH]1)-c1ccccc1Br)[*:1]
NC(=O)[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1ccccc1 Brc1ccccc1[*:1] NC(=O)[C@H](Sc1nc(n[nH]1)[*:1])c1ccccc1
CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ncnc3sc(-c4ccccc4)cc23)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](C)Sc1ncnc2sc(cc12)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ncnc3sc(-c4ccccc4)cc23)cc1 CC(=O)[*:1] C[C@H](Sc1ncnc2sc(cc12)-c1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ncnc3sc(-c4ccccc4)cc23)cc1 CC(=O)c1ccc(cc1)[*:1] C[C@H](Sc1ncnc2sc(cc12)-c1ccccc1)C(=O)N[*:1]
Cn1cc(C(=O)NNC(=O)c2cccc(OCC(F)F)n2)cn1 FC(F)CO[*:1] Cn1cc(cn1)C(=O)NNC(=O)c1cccc(n1)[*:1]
Cn1cc(C(=O)NNC(=O)c2cccc(OCC(F)F)n2)cn1 FC(F)[*:1] Cn1cc(cn1)C(=O)NNC(=O)c1cccc(n1)OC[*:1]
Cn1cc(C(=O)NNC(=O)c2cccc(OCC(F)F)n2)cn1 Cn1cc(cn1)[*:1] O=C(NNC(=O)[*:1])c1cccc(n1)OCC(F)F
Cn1cc(C(=O)NNC(=O)c2cccc(OCC(F)F)n2)cn1 FC(F)C[*:1] Cn1cc(cn1)C(=O)NNC(=O)c1cccc(n1)O[*:1]
O=[N+]([O-])c1nn(C[C@H]2CSc3ccccc32)cc1Br O=[N+]([O-])[*:1] Brc1cn(C[C@H]2CSc3ccccc32)nc1[*:1]
C[C@@H]1CCN(S(=O)(=O)C[C@@H](C)CCl)C1 C[C@@H](CCl)[*:1] C[C@@H]1CCN(C1)S(=O)(=O)C[*:1]
CC[C@H]([NH3+])Cc1cc(Cl)ccc1OC[C@@H]1CN(C)CCO1 CN1CCO[C@@H](C1)[*:1] CC[C@H]([NH3+])Cc1cc(Cl)ccc1OC[*:1]
Brc1ccc(N2[C@H](SCc3nc4ccccc4[nH]3)NN[C@@H]2c2cc[nH+]cc2)cc1 Brc1ccc(cc1)[*:1] c1ccc2[nH]c(CS[C@@H]3NN[C@H](c4cc[nH+]cc4)N3[*:1])nc2c1
Brc1ccc(N2[C@H](SCc3nc4ccccc4[nH]3)NN[C@@H]2c2cc[nH+]cc2)cc1 c1ccc2[nH]c(nc2c1)[*:1] Brc1ccc(cc1)N1[C@@H](NN[C@@H]1c1cc[nH+]cc1)SC[*:1]
CN1CCN(C(=O)[C@H](N)c2ccccc2)C(C)(C)C1=O c1ccc(cc1)[*:1] CN1CCN(C(=O)[C@H](N)[*:1])C(C)(C)C1=O
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cncc2ccccc12 COC(=O)[*:1] O=C(Nc1cncc2ccccc12)N[C@H]1CCC[C@H]1[*:1]
COC(=O)[C@@H](C)[S@@](=O)Cc1cc(C)cc(C)c1 COC(=O)[*:1] Cc1cc(C)cc(c1)C[S@](=O)[C@H](C)[*:1]
Cc1[nH]nc(C(N)=O)c1NC(=O)CSc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1[nH]nc(C(N)=O)c1NC(=O)CS[*:1]
Cc1[nH]nc(C(N)=O)c1NC(=O)CSc1ccc(F)cc1 NC(=O)[*:1] Cc1[nH]nc(c1NC(=O)CSc1ccc(F)cc1)[*:1]
C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cc(C(C)(C)C)on2)CC1 CC(C)(C)[*:1] C[NH+](C)CCC1CCN(CC1)C(=O)C(=O)Nc1cc(on1)[*:1]
CC(C)(C)OC(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1[*:1])OCc1ccc2ccccc2c1
CC(C)(C)OC(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@@H]1C[C@H](CN1C(=O)O[*:1])OCc1ccc2ccccc2c1
CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2)C1 CCC[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1])c1ccccc1
CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2)C1 c1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)[*:1]
CCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1 CCC[*:1] O=C(CNc1cccc(c1)NC(=O)[*:1])Nc1ccc(Cl)cc1
CCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1 CCCC(=O)N[*:1] O=C(CNc1cccc(c1)[*:1])Nc1ccc(Cl)cc1
CCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CCCC(=O)Nc1cccc(c1)NCC(=O)N[*:1]
C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)CS2 FC(F)(F)[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)NCc1cccc(c1)[*:1]
CC(C)(C)c1ccc(Oc2ncccc2C#N)cc1 CC(C)(C)[*:1] N#Cc1cccnc1Oc1ccc(cc1)[*:1]
CCN(Cc1ccc(Br)s1)C(=O)Cn1cnc(C#N)n1 Brc1ccc(s1)[*:1] CCN(C[*:1])C(=O)Cn1cnc(C#N)n1
O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)c1ccc(-n2ccnc2)cc1 C1CCC(C1)O[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])c1ccc(cc1)-n1ccnc1
O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)c1ccc(-n2ccnc2)cc1 C1CCC(C1)[*:1] O=C(N[C@H]1CCCC[C@@H]1O[*:1])c1ccc(cc1)-n1ccnc1
O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)c1ccc(cc1)[*:1]
C[NH+](C)C(C)(C)CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O c1csc(c1)[*:1] C[NH+](C)C(C)(C)CNC(=O)Cn1cnc2scc(c2c1=O)[*:1]
CNC(=O)c1ccccc1NC(=O)c1ccc(SCc2cccnc2)cc1 c1cncc(c1)CS[*:1] CNC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CNC(=O)c1ccccc1NC(=O)c1ccc(SCc2cccnc2)cc1 c1cncc(c1)C[*:1] CNC(=O)c1ccccc1NC(=O)c1ccc(cc1)S[*:1]
CNC(=O)c1ccccc1NC(=O)c1ccc(SCc2cccnc2)cc1 CNC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)SCc1cccnc1
CNC(=O)c1ccccc1NC(=O)c1ccc(SCc2cccnc2)cc1 c1cncc(c1)[*:1] CNC(=O)c1ccccc1NC(=O)c1ccc(cc1)SC[*:1]
CC(=O)Nc1c(C)cc(NC(=O)c2cc3c(s2)CCCCCC3)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)c1cc2CCCCCCc2s1
CCc1nn(C)cc1CNC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 c1cncc(c1)[*:1] CCc1nn(C)cc1CNC(=O)[C@H]1CCCCN1C(=O)[*:1]
CCc1nn(C)cc1CNC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 CCc1nn(C)cc1[*:1] O=C(NC[*:1])[C@H]1CCCCN1C(=O)c1cccnc1
CNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
CSc1ccc(CNC(=O)N2CCC[C@H]2c2nncn2C)cc1C Cn1cnnc1[*:1] CSc1ccc(cc1C)CNC(=O)N1CCC[C@@H]1[*:1]
Cc1ncc(Cc2ccccc2)c([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 c1ccc(cc1)[*:1] Cc1ncc(C[*:1])c(n1)[C@@H]1CCCN(C1)C(=O)c1ccc2OCOc2c1
Cc1ncc(Cc2ccccc2)c([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 c1ccc(cc1)C[*:1] Cc1ncc(c(n1)[C@@H]1CCCN(C1)C(=O)c1ccc2OCOc2c1)[*:1]
Cc1ncc(Cc2ccccc2)c([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 c1cc2OCOc2cc1[*:1] Cc1ncc(Cc2ccccc2)c(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
C[C@@H]([NH2+]CCOc1ccccc1Cl)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C[C@@H]([NH2+]CCOc1ccccc1Cl)c1cccc(c1)[*:1]
C[C@@H]([NH2+]CCOc1ccccc1Cl)c1cccc(N2CCOC2=O)c1 Clc1ccccc1[*:1] C[C@@H]([NH2+]CCO[*:1])c1cccc(c1)N1CCOC1=O
C[C@@H]([NH2+]CCOc1ccccc1Cl)c1cccc(N2CCOC2=O)c1 Clc1ccccc1O[*:1] C[C@@H]([NH2+]CC[*:1])c1cccc(c1)N1CCOC1=O
O=C(c1ccco1)N1CCN(Cc2cc(=O)c(OCc3ccccc3F)co2)CC1 Fc1ccccc1CO[*:1] O=C(c1ccco1)N1CCN(CC1)Cc1cc(=O)c(co1)[*:1]
O=C(c1ccco1)N1CCN(Cc2cc(=O)c(OCc3ccccc3F)co2)CC1 Fc1ccccc1C[*:1] O=C(c1ccco1)N1CCN(CC1)Cc1cc(=O)c(co1)O[*:1]
O=C(c1ccco1)N1CCN(Cc2cc(=O)c(OCc3ccccc3F)co2)CC1 Fc1ccccc1[*:1] O=C(c1ccco1)N1CCN(CC1)Cc1cc(=O)c(co1)OC[*:1]
O=C(c1ccco1)N1CCN(Cc2cc(=O)c(OCc3ccccc3F)co2)CC1 c1coc(c1)[*:1] O=C(N1CCN(CC1)Cc1cc(=O)c(co1)OCc1ccccc1F)[*:1]
CC(=O)Nc1ccc(C(=O)N[C@H]2CCSc3ccccc32)s1 CC(=O)N[*:1] O=C(N[C@H]1CCSc2ccccc21)c1ccc(s1)[*:1]
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)C[C@@H]3C=CCC3)C2)CC1 CC(C)(C)[*:1] O=C(C[C@@H]1C=CCC1)N1CC(C1)S(=O)(=O)N1CCN(CC1)C(=O)O[*:1]
C/[NH+]=C(/NCCc1sc(C)nc1C)N[C@@H]1CCCN(c2ccccc2)C1 Cc1nc(C)c(s1)[*:1] C/[NH+]=C(/NCC[*:1])N[C@@H]1CCCN(C1)c1ccccc1
C/[NH+]=C(/NCCc1sc(C)nc1C)N[C@@H]1CCCN(c2ccccc2)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCCc1sc(C)nc1C)N[C@@H]1CCCN(C1)[*:1]
C/[NH+]=C(/NCCc1sc(C)nc1C)N[C@@H]1CCCN(c2ccccc2)C1 Cc1nc(C)c(C[*:1])s1 C/[NH+]=C(/NC[*:1])N[C@@H]1CCCN(C1)c1ccccc1
CS(=O)(=O)CC[C@@H](NC(=O)C(F)(F)F)C(=O)[O-] O=C([O-])[*:1] CS(=O)(=O)CC[C@@H](NC(=O)C(F)(F)F)[*:1]
CS(=O)(=O)CC[C@@H](NC(=O)C(F)(F)F)C(=O)[O-] FC(F)(F)[*:1] CS(=O)(=O)CC[C@@H](NC(=O)[*:1])C(=O)[O-]
CS(=O)(=O)CC[C@@H](NC(=O)C(F)(F)F)C(=O)[O-] CS(=O)(=O)[*:1] O=C([O-])[C@@H](CC[*:1])NC(=O)C(F)(F)F
CS(=O)(=O)CC[C@@H](NC(=O)C(F)(F)F)C(=O)[O-] CS(=O)(=O)C[*:1] O=C([O-])[C@@H](C[*:1])NC(=O)C(F)(F)F
CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCO[C@H]1C CCCO[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[*:1]
CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCO[C@H]1C CCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Cl)ccc1O[*:1]
O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccc(N2CCOCC2)[nH+]c1 FC(F)(F)[*:1] O=C(C[C@H]1Sc2ccc(cc2NC1=O)[*:1])NCc1ccc([nH+]c1)N1CCOCC1
O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccc(N2CCOCC2)[nH+]c1 C1CN(CCO1)[*:1] O=C(C[C@H]1Sc2ccc(cc2NC1=O)C(F)(F)F)NCc1ccc([nH+]c1)[*:1]
N#CCCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 N#CC[*:1] O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N(Cc1ccco1)C[*:1]
N#CCCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 c1coc(c1)[*:1] N#CCCN(C[*:1])C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2
N#CCCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 c1coc(c1)C[*:1] N#CCCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[*:1]
N#CCCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 N#CCC[*:1] O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N(Cc1ccco1)[*:1]
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H](C)C[C@H](C)C1 c1ccc(cc1)[*:1] CSCC[C@@H](NC(=O)[*:1])C(=O)N1C[C@@H](C)C[C@H](C)C1
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H](C)C[C@H](C)C1 CSC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)[C@@H](C[*:1])NC(=O)c1ccccc1
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H](C)C[C@H](C)C1 CSCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)[C@H](NC(=O)c1ccccc1)[*:1]
CCNC(=O)CCSc1nnc(-c2ccncc2)n1C CCNC(=O)[*:1] Cn1c(nnc1-c1ccncc1)SCC[*:1]
CCNC(=O)CCSc1nnc(-c2ccncc2)n1C c1cc(ccn1)[*:1] CCNC(=O)CCSc1nnc(n1C)[*:1]
CCNC(=O)CCSc1nnc(-c2ccncc2)n1C CCNC(=O)C[*:1] Cn1c(nnc1-c1ccncc1)SC[*:1]
COc1cc(C(=O)N[C@H](C)Cc2cccs2)cc(OC)c1OC c1csc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[C@H](C)C[*:1]
COc1cc(C(=O)N[C@H](C)Cc2cccs2)cc(OC)c1OC c1csc(c1)C[*:1] COc1cc(cc(OC)c1OC)C(=O)N[C@H](C)[*:1]
Cc1cc(C)nc(CCNCc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)n1 Cc1cc(C)nc(CC[*:1])n1 Cc1cccn2c(CN[*:1])c(nc12)C(=O)N1CCOCC1
Cc1cc(C)nc(CCNCc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)n1 Cc1cc(C)nc(C[*:1])n1 Cc1cccn2c(CNC[*:1])c(nc12)C(=O)N1CCOCC1
Cc1cc(C)nc(CCNCc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)n1 Cc1cc(C)nc(n1)[*:1] Cc1cccn2c(CNCC[*:1])c(nc12)C(=O)N1CCOCC1
Cc1cc(C)nc(CCNCc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)n1 O=C(N1CCOCC1)[*:1] Cc1cc(C)nc(CCNCc2c(nc3c(C)cccn23)[*:1])n1
O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(NCc1nc(no1)[*:1])[C@@H]1CCN(C1=O)c1ccccc1
O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(NCc1nc(no1)-c1ccccc1)[C@@H]1CCN(C1=O)[*:1]
COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1C COC[C@@H](C)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(C2=O)c2ccccc2)c(C)n1[*:1]
COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1C COC[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(C2=O)c2ccccc2)c(C)n1[C@H](C)[*:1]
COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1C c1ccc(cc1)[*:1] COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])c1C
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)Nc1sc2CCCc2c1C#N)[*:1]
O=C(Nc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1 Fc1cccc(c1)[*:1] O=C(Nc1ccccc1)c1nnc(s1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1 O=C(Nc1ccccc1)[*:1] O=C(c1cccc(F)c1)N1CCC[C@H](C1)c1nnc(s1)[*:1]
O=C(Nc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1 c1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)[C@@H]1CCCN(C1)C(=O)c1cccc(F)c1
Fc1c(C(F)(F)F)ccn2ccnc12 FC(F)(F)[*:1] Fc1c(ccn2ccnc12)[*:1]
CCOC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2)nn1 C1CCN(C1)[*:1] CCOC(=O)c1ccccc1NC(=O)c1ccc(nn1)[*:1]
CCOC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2)nn1 CCOC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(nn1)N1CCCC1
Cc1ccc(NC(=O)CC[C@H]2[NH+]=c3ccccc3=[NH+]C2=O)cc1S(=O)(=O)N1CCCCCC1 O=S(=O)(N1CCCCCC1)[*:1] Cc1ccc(cc1[*:1])NC(=O)CC[C@H]1[NH+]=c2ccccc2=[NH+]C1=O
COc1ccc2c(c1)[C@@](N)(c1nccs1)CC2 c1csc(n1)[*:1] COc1ccc2CC[C@](N)(c2c1)[*:1]
O=C1c2ccccc2N[C@H](c2cccc(Br)c2)N1Cc1ccco1 c1coc(c1)[*:1] O=C1c2ccccc2N[C@H](c2cccc(Br)c2)N1C[*:1]
O=C1c2ccccc2N[C@H](c2cccc(Br)c2)N1Cc1ccco1 c1coc(c1)C[*:1] O=C1c2ccccc2N[C@H](c2cccc(Br)c2)N1[*:1]
O=C1c2ccccc2N[C@H](c2cccc(Br)c2)N1Cc1ccco1 Brc1cccc(c1)[*:1] O=C1c2ccccc2N[C@H](N1Cc1ccco1)[*:1]
CC/[NH+]=C(/NCC#Cc1ccccc1)NC[C@@H]1CCO[C@@H]1c1ccccc1 C(#Cc1ccccc1)C[*:1] CC/[NH+]=C(\NC[C@@H]1CCO[C@@H]1c1ccccc1)N[*:1]
CC/[NH+]=C(/NCC#Cc1ccccc1)NC[C@@H]1CCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC/[NH+]=C(/NCC#C[*:1])NC[C@@H]1CCO[C@@H]1c1ccccc1
CC/[NH+]=C(/NCC#Cc1ccccc1)NC[C@@H]1CCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC/[NH+]=C(/NCC#Cc1ccccc1)NC[C@@H]1CCO[C@H]1[*:1]
CC/[NH+]=C(/NCC#Cc1ccccc1)NC[C@@H]1CCO[C@@H]1c1ccccc1 C(#C[*:1])c1ccccc1 CC/[NH+]=C(\NC[C@@H]1CCO[C@@H]1c1ccccc1)NC[*:1]
C[C@H]1CN(C(=O)N(C)CCc2cccs2)C[C@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H]1CN(C[C@@H]1[*:1])C(=O)N(C)CCc1cccs1
C[C@H]1CN(C(=O)N(C)CCc2cccs2)C[C@H]1C(=O)[O-] c1csc(c1)C[*:1] C[C@H]1CN(C[C@H]1C(=O)[O-])C(=O)N(C)C[*:1]
C[C@H]1CN(C(=O)N(C)CCc2cccs2)C[C@H]1C(=O)[O-] c1csc(c1)[*:1] C[C@H]1CN(C[C@H]1C(=O)[O-])C(=O)N(C)CC[*:1]
Cc1cccnc1NC(=O)Cc1ccc2ccccc2c1 Cc1cccnc1[*:1] O=C(Cc1ccc2ccccc2c1)N[*:1]
Cc1ccc(N2CCOC2=O)cc1NC(=O)Cc1ccc2c(c1)CCCC2 O=C1OCCN1[*:1] Cc1ccc(cc1NC(=O)Cc1ccc2CCCCc2c1)[*:1]
N#Cc1ccccc1NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccccc1NC(=O)COC(=O)c1ccc(cc1)C(=O)[*:1]
N#Cc1ccccc1NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] N#Cc1ccccc1NC(=O)COC(=O)c1ccc(cc1)[*:1]
N#Cc1ccccc1NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1 N#Cc1ccccc1[*:1] O=C(COC(=O)c1ccc(cc1)C(=O)c1ccccc1)N[*:1]
FC(F)(F)[C@@H]1CN(Cc2ccc3cccc(Cl)c3n2)CCO1 FC(F)(F)[*:1] Clc1cccc2ccc(CN3CCO[C@@H](C3)[*:1])nc12
FC(F)Oc1ccc(CNc2ccc(-n3cncn3)cc2)cc1Br FC(F)O[*:1] Brc1cc(ccc1[*:1])CNc1ccc(cc1)-n1cncn1
FC(F)Oc1ccc(CNc2ccc(-n3cncn3)cc2)cc1Br FC(F)[*:1] Brc1cc(ccc1O[*:1])CNc1ccc(cc1)-n1cncn1
FC(F)Oc1ccc(CNc2ccc(-n3cncn3)cc2)cc1Br c1ncn(n1)[*:1] FC(F)Oc1ccc(cc1Br)CNc1ccc(cc1)[*:1]
Cc1ccsc1[C@@H]1CC(=O)N(c2sc3c(c2C#N)CCCCC3)C2=C1C(=O)CCC2 Cc1ccsc1[*:1] N#Cc1c(sc2CCCCCc21)N1C(=O)C[C@H](C2C(=O)CCCC=21)[*:1]
O=C([O-])COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 O=C([O-])[*:1] O=C(COC[*:1])/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1
O=C([O-])COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 O=C([O-])C[*:1] O=C(CO[*:1])/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1
O=C([O-])COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C([O-])COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
O=C([O-])COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 O=C([O-])CO[*:1] O=C(C[*:1])/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1
COc1ccccc1CC(=O)Nc1ccccc1SC(F)F FC(F)[*:1] COc1ccccc1CC(=O)Nc1ccccc1S[*:1]
COc1ccccc1CC(=O)Nc1ccccc1SC(F)F FC(F)S[*:1] COc1ccccc1CC(=O)Nc1ccccc1[*:1]
Cc1cccc(OCC(=O)NCc2ccc(OC(C)C)cc2)c1 CC(C)O[*:1] Cc1cccc(c1)OCC(=O)NCc1ccc(cc1)[*:1]
Cc1cccc(OCC(=O)NCc2ccc(OC(C)C)cc2)c1 CC(C)[*:1] Cc1cccc(c1)OCC(=O)NCc1ccc(cc1)O[*:1]
Cc1cccc(OCC(=O)NCc2ccc(OC(C)C)cc2)c1 Cc1cccc(c1)[*:1] CC(C)Oc1ccc(cc1)CNC(=O)CO[*:1]
CC(C)[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)C(=O)N1CCCC1 C1CO[C@H](C1)[*:1] CC(C)[C@H](NC(=O)c1cnc(s1)[*:1])C(=O)N1CCCC1
CC(C)[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)C(=O)N1CCCC1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCCC1)[*:1])c1cnc(s1)[C@H]1CCCO1
CC(C)[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](NC(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
C[C@@H]1Oc2c(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cccc2[C@H]1C O=S(=O)(N1CCCC1)[*:1] C[C@@H]1Oc2c(cccc2[C@H]1C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1S(=O)(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])NC(=O)CCc1c(C)nc2ncnn2c1C
Cc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1S(=O)(=O)Nc1ccc(F)cc1 O=S(=O)(Nc1ccc(F)cc1)[*:1] Cc1ccc(cc1[*:1])NC(=O)CCc1c(C)nc2ncnn2c1C
Cc1cc(C)cc(NC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])C1CN(C1)C(=O)c1c[nH]c2ccccc12
O=C(CC[NH2+]Cc1c(Cl)cccc1N1CCCC1)Nc1ccccc1 C1CCN(C1)[*:1] O=C(CC[NH2+]Cc1c(Cl)cccc1[*:1])Nc1ccccc1
O=C(CC[NH2+]Cc1c(Cl)cccc1N1CCCC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CC[NH2+]Cc1c(Cl)cccc1N1CCCC1)N[*:1]
CCN(Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C)C(C)=O CCN(C[*:1])C(C)=O C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1[*:1]
CCN(Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C)C(C)=O CCN(C(C)=O)[*:1] C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C[*:1]
COc1cccc(-c2n[nH]c3c2CN(C(=O)CCc2ccncc2)CC3)c1 c1cc(ccn1)CC[*:1] COc1cccc(c1)-c1n[nH]c2CCN(Cc12)C(=O)[*:1]
COc1cccc(-c2n[nH]c3c2CN(C(=O)CCc2ccncc2)CC3)c1 COc1cccc(c1)[*:1] O=C(CCc1ccncc1)N1CCc2[nH]nc(c2C1)[*:1]
COc1cccc(-c2n[nH]c3c2CN(C(=O)CCc2ccncc2)CC3)c1 c1cc(ccn1)[*:1] COc1cccc(c1)-c1n[nH]c2CCN(Cc12)C(=O)CC[*:1]
COc1cccc(-c2n[nH]c3c2CN(C(=O)CCc2ccncc2)CC3)c1 c1cc(ccn1)C[*:1] COc1cccc(c1)-c1n[nH]c2CCN(Cc12)C(=O)C[*:1]
Cc1ccc(C(=O)CCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)s1 O=[N+]([O-])[*:1] Cc1ccc(s1)C(=O)CCC(=O)NC(C)(C)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)CCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)s1 Cc1ccc(s1)C(=O)[*:1] CC(C)(NC(=O)CC[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1ccc(C(=O)CCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)s1 Cc1ccc(s1)[*:1] CC(C)(NC(=O)CCC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)[*:1])C(=O)NCc1ccccc1
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccccc1)C(=O)N[*:1]
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccccc1)C(=O)NC[*:1]
CC(C)C[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](C2CCCC2)CC1 CC(C)[*:1] c1coc(c1)Cn1nnnc1[C@@H](C[*:1])N1CC[NH+](CC1)C1CCCC1
CC(C)C[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](C2CCCC2)CC1 c1coc(c1)C[*:1] CC(C)C[C@H](c1nnnn1[*:1])N1CC[NH+](CC1)C1CCCC1
CC(C)C[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](C2CCCC2)CC1 c1coc(c1)[*:1] CC(C)C[C@H](c1nnnn1C[*:1])N1CC[NH+](CC1)C1CCCC1
CC(C)C[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](C2CCCC2)CC1 CC(C)C[*:1] c1coc(c1)Cn1nnnc1[C@H](N1CC[NH+](CC1)C1CCCC1)[*:1]
CC(C)C[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] CC(C)C[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](CC1)[*:1]
CCC[C@H]1CN(C(=O)[C@H](C)OCCOC)CCO1 CCC[*:1] COCCO[C@@H](C)C(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)[C@H](C)OCCOC)CCO1 COCC[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@H](C)O[*:1]
CCC[C@H]1CN(C(=O)[C@H](C)OCCOC)CCO1 COC[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@H](C)OC[*:1]
CCC[C@H]1CN(C(=O)[C@H](C)OCCOC)CCO1 COCCO[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@H](C)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)N[C@@H](C)CCc2ccccc2)CC1 CC(C)CC[*:1] C[C@@H](CCc1ccccc1)NC(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)N[C@@H](C)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)N[C@@H](C)CC[*:1]
CC(C)CCC(=O)N1CCN(C(=O)N[C@@H](C)CCc2ccccc2)CC1 CC(C)[*:1] C[C@@H](CCc1ccccc1)NC(=O)N1CCN(CC1)C(=O)CC[*:1]
CC(C)CCC(=O)N1CCN(C(=O)N[C@@H](C)CCc2ccccc2)CC1 CC(C)C[*:1] C[C@@H](CCc1ccccc1)NC(=O)N1CCN(CC1)C(=O)C[*:1]
CC(C)CCC(=O)N1CCN(C(=O)N[C@@H](C)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
CC(C)CCC(=O)N1CCN(C(=O)N[C@@H](C)CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)N[C@@H](C)[*:1]
C[C@H](Cc1ccccc1F)C(=O)Oc1ccc(-n2cnnn2)cc1 Fc1ccccc1[*:1] C[C@H](C[*:1])C(=O)Oc1ccc(cc1)-n1cnnn1
C[C@H](Cc1ccccc1F)C(=O)Oc1ccc(-n2cnnn2)cc1 Fc1ccccc1C[*:1] C[C@H](C(=O)Oc1ccc(cc1)-n1cnnn1)[*:1]
C[C@H](Cc1ccccc1F)C(=O)Oc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] C[C@H](Cc1ccccc1F)C(=O)Oc1ccc(cc1)[*:1]
C[C@H]1CC(N(C)Cc2[nH+]ccn2Cc2ccccc2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)N(C)Cc1[nH+]ccn1C[*:1]
C[C@H]1CC(N(C)Cc2[nH+]ccn2Cc2ccccc2)C[C@H](C)O1 c1ccc(cc1)C[*:1] C[C@H]1CC(C[C@H](C)O1)N(C)Cc1[nH+]ccn1[*:1]
CC(=O)Nc1c(C)cc(NC(=O)c2scnc2C)cc1C Cc1ncsc1[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)c2scnc2C)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)c1scnc1C
Cc1ccc(CCNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)NCC[*:1]
Cc1ccc(CCNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 Cc1ccc(cc1)CC[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N[*:1]
Cc1ccc(CCNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)NC[*:1]
Cc1ccc(CCNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CCNC(=O)c1cc2c(C)nn(c2s1)[*:1]
O[C@@]1(c2ccccc2)CN2C=CC=CC2=[N+]1Cc1ccccc1 c1ccc(cc1)C[*:1] O[C@]1(CN2C=CC=CC2=[N+]1[*:1])c1ccccc1
O[C@@]1(c2ccccc2)CN2C=CC=CC2=[N+]1Cc1ccccc1 c1ccc(cc1)[*:1] O[C@]1(CN2C=CC=CC2=[N+]1Cc1ccccc1)[*:1]
O[C@@]1(c2ccccc2)CN2C=CC=CC2=[N+]1Cc1ccccc1 c1ccc(cc1)[*:1] O[C@]1(CN2C=CC=CC2=[N+]1C[*:1])c1ccccc1
Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2ccccn2)cc1C c1ccc(nc1)[*:1] Cc1ccc(cc1C)C(=O)CCC(=O)[C@@H](C#N)[*:1]
O[C@@H](c1cccc(OC(F)(F)F)c1)[C@@H]1C[NH+]2CCN1CC2 FC(F)(F)O[*:1] O[C@@H](c1cccc(c1)[*:1])[C@@H]1C[NH+]2CCN1CC2
O[C@@H](c1cccc(OC(F)(F)F)c1)[C@@H]1C[NH+]2CCN1CC2 FC(F)(F)[*:1] O[C@@H](c1cccc(c1)O[*:1])[C@@H]1C[NH+]2CCN1CC2
C[C@H](N(C)C(=O)Nc1ccc(Oc2cccnc2)nc1)C1(C)CC1 c1cncc(c1)[*:1] C[C@H](N(C)C(=O)Nc1ccc(nc1)O[*:1])C1(C)CC1
C[C@H](N(C)C(=O)Nc1ccc(Oc2cccnc2)nc1)C1(C)CC1 c1cncc(c1)O[*:1] C[C@H](N(C)C(=O)Nc1ccc(nc1)[*:1])C1(C)CC1
C[C@H](N(C)C(=O)Nc1ccc(Oc2cccnc2)nc1)C1(C)CC1 CC1(CC1)[*:1] C[C@H](N(C)C(=O)Nc1ccc(nc1)Oc1cccnc1)[*:1]
CC(C)(C)[C@H]1CCC2=C3C(=O)N=C(CCC(=O)N4CCCCCC4)N=C3S[C@H]2C1 CC(C)(C)[*:1] O=C1N=C(CCC(=O)N2CCCCCC2)N=C2S[C@H]3C[C@H](CCC3=C12)[*:1]
CC(C)(C)[C@H]1CCC2=C3C(=O)N=C(CCC(=O)N4CCCCCC4)N=C3S[C@H]2C1 O=C(N1CCCCCC1)[*:1] CC(C)(C)[C@H]1CCC2=C3C(=O)N=C(CC[*:1])N=C3S[C@H]2C1
O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1[*:1]
COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1Cl OCc1ccc(o1)[*:1] COc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccc(c(Cl)c1)[*:1]
COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)[*:1]
CCn1c(C)ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)n2)c1=O Clc1ccc(cc1)[*:1] CCn1c(C)ccc(-c2noc(CCC(=O)N[C@@H](C)[*:1])n2)c1=O
CCn1c(C)ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)n2)c1=O C[C@@H](c1ccc(Cl)cc1)[*:1] CCn1c(C)ccc(-c2noc(CCC(=O)N[*:1])n2)c1=O
NC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)C1 c1cc2OCOc2cc1[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)CSc1nnc(o1)[*:1]
NC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)C1 NC(=O)[*:1] O=C(CSc1nnc(o1)-c1ccc2OCOc2c1)N1CCC[C@H](C1)[*:1]
Fc1ccc2c(c1)[C@@H]([NH2+]Cc1csc(COc3ccccc3)n1)CCC2 c1ccc(cc1)OC[*:1] Fc1ccc2CCC[C@H]([NH2+]Cc3csc(n3)[*:1])c2c1
Fc1ccc2c(c1)[C@@H]([NH2+]Cc1csc(COc3ccccc3)n1)CCC2 c1ccc(cc1)O[*:1] Fc1ccc2CCC[C@H]([NH2+]Cc3csc(C[*:1])n3)c2c1
Fc1ccc2c(c1)[C@@H]([NH2+]Cc1csc(COc3ccccc3)n1)CCC2 c1ccc(cc1)[*:1] Fc1ccc2CCC[C@H]([NH2+]Cc3csc(CO[*:1])n3)c2c1
Cc1cccc(NC(=O)[C@H](C)n2c(=O)oc3ccccc32)c1 Cc1cccc(c1)[*:1] C[C@@H](C(=O)N[*:1])n1c(=O)oc2ccccc21
CC(C)CNC(=O)[C@@H]1CCCN(c2nnc3c(Cl)cccn23)C1 CC(C)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nnc2c(Cl)cccn12
CC(C)CNC(=O)[C@@H]1CCCN(c2nnc3c(Cl)cccn23)C1 CC(C)CNC(=O)[*:1] Clc1cccn2c(nnc12)N1CCC[C@H](C1)[*:1]
CC(C)CNC(=O)[C@@H]1CCCN(c2nnc3c(Cl)cccn23)C1 CC(C)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nnc2c(Cl)cccn12
Cc1ccc(N(CC(=O)NCc2cccc(Br)c2)S(=O)(=O)N(C)C)cc1 Brc1cccc(c1)C[*:1] Cc1ccc(cc1)N(CC(=O)N[*:1])S(=O)(=O)N(C)C
Cc1ccc(N(CC(=O)NCc2cccc(Br)c2)S(=O)(=O)N(C)C)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)N(CC(=O)NC[*:1])S(=O)(=O)N(C)C
Cc1ccc(N(CC(=O)NCc2cccc(Br)c2)S(=O)(=O)N(C)C)cc1 Cc1ccc(cc1)[*:1] CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(Br)c1)[*:1]
COc1cc2c(cc1NC(=O)c1ccc(F)cc1)n(C)c(=O)n2C Fc1ccc(cc1)[*:1] COc1cc2c(cc1NC(=O)[*:1])n(C)c(=O)n2C
CCN(C[C@H]1CCOC1)C(=O)NCc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CCN(C[C@H]1CCOC1)C(=O)NCc1ccc(cc1)[*:1]
CC[C@@H](C)CN(CC)c1ccc(CCl)nn1 CC[C@@H](C)C[*:1] CCN(c1ccc(CCl)nn1)[*:1]
CC[C@@H](C)CN(CC)c1ccc(CCl)nn1 CC[C@@H](C)[*:1] CCN(C[*:1])c1ccc(CCl)nn1
CC(C)N(C)S(=O)(=O)c1cc(Cl)sc1Cl CC(C)[*:1] CN(S(=O)(=O)c1cc(Cl)sc1Cl)[*:1]
Cc1cccc(OCCC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)c1 Cc1cccc(c1)O[*:1] O=C(CC[*:1])Nc1ccc(cc1)-c1nnnn1C1CC1
Cc1cccc(OCCC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)c1 Cc1cccc(c1)[*:1] O=C(CCO[*:1])Nc1ccc(cc1)-c1nnnn1C1CC1
Cc1cccc(OCCC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)c1 Cc1cccc(c1)OC[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1nnnn1C1CC1
Cc1cccc(OCCC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)c1 C1CC1n1nnnc1[*:1] Cc1cccc(c1)OCCC(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(OCCC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)c1 C1CC1[*:1] Cc1cccc(c1)OCCC(=O)Nc1ccc(cc1)-c1nnnn1[*:1]
Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 C(=C/c1ccccc1)\C[*:1] Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(c2ccccc21)[*:1]
Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(CC=C[*:1])c2ccccc21
Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 Cc1[nH]c2ccccc2c1[*:1] O=C1N(C/C=C/c2ccccc2)c2ccccc2[C@]1(O)[*:1]
Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 C(=C[*:1])c1ccccc1 Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(C[*:1])c2ccccc21
Cc1ccccc1-c1nn2c(=O)cc(N3CCN(C(=O)Nc4ccccc4F)CC3)nc2s1 Fc1ccccc1[*:1] Cc1ccccc1-c1nn2c(=O)cc(nc2s1)N1CCN(CC1)C(=O)N[*:1]
Cc1ccccc1-c1nn2c(=O)cc(N3CCN(C(=O)Nc4ccccc4F)CC3)nc2s1 Cc1ccccc1[*:1] O=C(Nc1ccccc1F)N1CCN(CC1)c1cc(=O)n2nc(sc2n1)[*:1]
COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cccc(C(C)=O)c1 CC(=O)[*:1] COc1ccc(cc1NS(=O)(=O)c1cccc(c1)[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cccc(C(C)=O)c1 CC(C)(C)[*:1] COc1ccc(cc1NS(=O)(=O)c1cccc(c1)C(C)=O)[*:1]
CCCOc1ccc(Cl)cc1NS(=O)(=O)c1cn[nH]c1C CCCO[*:1] Cc1[nH]ncc1S(=O)(=O)Nc1cc(Cl)ccc1[*:1]
CCCOc1ccc(Cl)cc1NS(=O)(=O)c1cn[nH]c1C Cc1[nH]ncc1[*:1] CCCOc1ccc(Cl)cc1NS(=O)(=O)[*:1]
CCCOc1ccc(Cl)cc1NS(=O)(=O)c1cn[nH]c1C CCC[*:1] Cc1[nH]ncc1S(=O)(=O)Nc1cc(Cl)ccc1O[*:1]
O=C(Nc1cccc(N2CCCC2)c1)N[C@@H]1c2ccccc2C[C@@H]1O C1CCN(C1)[*:1] O=C(Nc1cccc(c1)[*:1])N[C@@H]1c2ccccc2C[C@@H]1O
Cc1nc(N)[nH]c(=O)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nc(N)[nH]c(=O)c1[*:1]
Cc1csc(NC(=O)c2nn(C)c3c2CS(=O)(=O)CC3)n1 Cc1csc(n1)[*:1] Cn1nc(C(=O)N[*:1])c2CS(=O)(=O)CCc21
COc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3cc(C(C)(C)C)[nH]n3)CC2)c1 CC(C)(C)[*:1] COc1cccc(c1)-c1c[nH]nc1C1CC[NH+](CC1)Cc1cc([nH]n1)[*:1]
COc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3cc(C(C)(C)C)[nH]n3)CC2)c1 COc1cccc(c1)[*:1] CC(C)(C)c1cc(C[NH+]2CCC(CC2)c2n[nH]cc2[*:1])n[nH]1
COc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3cc(C(C)(C)C)[nH]n3)CC2)c1 CC(C)(C)c1cc(n[nH]1)[*:1] COc1cccc(c1)-c1c[nH]nc1C1CC[NH+](CC1)C[*:1]
Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Nc1c(nsc1C(=O)NCc1ccc(cc1)[*:1])-c1ccccn1
Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc(C(F)(F)F)cc1 c1ccc(nc1)[*:1] Nc1c(nsc1C(=O)NCc1ccc(cc1)C(F)(F)F)[*:1]
COc1ccc2c(c1)C(=O)/C(=C/c1cccc(C(F)(F)F)c1)CO2 FC(F)(F)[*:1] COc1ccc2OC/C(=C\c3cccc(c3)[*:1])C(=O)c2c1
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1Cl FC(F)(F)[*:1] C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(cc1)[*:1])c1ccccc1Cl
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1Cl Clc1ccccc1[*:1] C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)[*:1]
CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)[*:1]
CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C1CCCCC1 O=C1CC[C@H](N1)[*:1] CN(C(=O)[C@H]1CSCN1C(=O)[*:1])C1CCCCC1
CC(C)CN(CC(F)(F)F)C(=O)c1ccc(N2CCCCCC2)nc1 CC(C)C[*:1] O=C(c1ccc(nc1)N1CCCCCC1)N(CC(F)(F)F)[*:1]
CC(C)CN(CC(F)(F)F)C(=O)c1ccc(N2CCCCCC2)nc1 C1CCCN(CC1)[*:1] CC(C)CN(CC(F)(F)F)C(=O)c1ccc(nc1)[*:1]
CC(C)CN(CC(F)(F)F)C(=O)c1ccc(N2CCCCCC2)nc1 FC(F)(F)[*:1] CC(C)CN(C[*:1])C(=O)c1ccc(nc1)N1CCCCCC1
CC(C)CN(CC(F)(F)F)C(=O)c1ccc(N2CCCCCC2)nc1 FC(F)(F)C[*:1] CC(C)CN(C(=O)c1ccc(nc1)N1CCCCCC1)[*:1]
CC(C)CN(CC(F)(F)F)C(=O)c1ccc(N2CCCCCC2)nc1 CC(C)[*:1] O=C(c1ccc(nc1)N1CCCCCC1)N(CC(F)(F)F)C[*:1]
C[C@@]1(NC(=O)NCc2cccc(OCC(F)F)n2)CCOC1 FC(F)CO[*:1] C[C@]1(CCOC1)NC(=O)NCc1cccc(n1)[*:1]
C[C@@]1(NC(=O)NCc2cccc(OCC(F)F)n2)CCOC1 FC(F)C[*:1] C[C@]1(CCOC1)NC(=O)NCc1cccc(n1)O[*:1]
C[C@@]1(NC(=O)NCc2cccc(OCC(F)F)n2)CCOC1 FC(F)[*:1] C[C@]1(CCOC1)NC(=O)NCc1cccc(n1)OC[*:1]
CCCc1cc(N2CCn3c(CC)nnc3C2)n2ncnc2n1 CCC[*:1] CCc1nnc2CN(CCn12)c1cc(nc2ncnn12)[*:1]
Cc1ccc([C@@H](C)NC(=O)CC[C@H]2NC(=O)NC2=O)cc1F O=C1NC(=O)[C@H](N1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)CC[*:1]
CCC[NH2+][C@H](CC)[C@@H](C)c1ncnc2c1CCCCC2 CCC[*:1] CC[C@@H]([NH2+][*:1])[C@@H](C)c1ncnc2CCCCCc21
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)n2nnnc2N1 O=C(Nc1ccccc1)[*:1] CC1Nc2nnnn2[C@H](C=1[*:1])c1ccc(cc1)OCc1ccccc1
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)n2nnnc2N1 c1ccc(cc1)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)Nc1ccccc1)c1ccc(cc1)OC[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)n2nnnc2N1 c1ccc(cc1)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)N[*:1])c1ccc(cc1)OCc1ccccc1
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)n2nnnc2N1 c1ccc(cc1)C[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)Nc1ccccc1)c1ccc(cc1)O[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)n2nnnc2N1 c1ccc(cc1)CO[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)Nc1ccccc1)c1ccc(cc1)[*:1]
CCC(=O)OCC1=C(c2ccc(Cl)cc2)CSC1=N CCC(=O)O[*:1] N=C1SCC(=C1C[*:1])c1ccc(Cl)cc1
CCC(=O)OCC1=C(c2ccc(Cl)cc2)CSC1=N CCC(=O)OC[*:1] N=C1SCC(=C1[*:1])c1ccc(Cl)cc1
Cc1ccc(O[C@@H](C)C(=O)N2CCN(CCc3ccncc3)CC2)cc1C c1cc(ccn1)C[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)N1CCN(CC1)C[*:1]
Cc1ccc(O[C@@H](C)C(=O)N2CCN(CCc3ccncc3)CC2)cc1C c1cc(ccn1)CC[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N2CCN(CCc3ccncc3)CC2)cc1C c1cc(ccn1)[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)N1CCN(CC1)CC[*:1]
Cc1ccc(O[C@@H](C)C(=O)N2CCN(CCc3ccncc3)CC2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CCc2ccncc2)CC1
Cc1ccc(O[C@@H](C)C(=O)N2CCN(CCc3ccncc3)CC2)cc1C Cc1ccc(cc1C)O[*:1] C[C@@H](C(=O)N1CCN(CCc2ccncc2)CC1)[*:1]
Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1F O[C@H]1CCC[C@@H]1[*:1] Cc1cc(ccc1F)C(=O)N1CCC[C@H]1[*:1]
CCOc1ccc(C2(C[NH2+]Cc3cc[nH]c3)CCOCC2)cc1 c1cc(c[nH]1)[*:1] CCOc1ccc(cc1)C1(CCOCC1)C[NH2+]C[*:1]
CCOc1ccc(C2(C[NH2+]Cc3cc[nH]c3)CCOCC2)cc1 CCO[*:1] c1cc(c[nH]1)C[NH2+]CC1(CCOCC1)c1ccc(cc1)[*:1]
C[C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 C[C@@H](C[*:1])c1ccccc1 O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)[*:1]
C[C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 Clc1ccccc1[*:1] C[C@@H](CC(=O)NC[C@@H](N1CCOCC1)[*:1])c1ccccc1
C[C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] C[C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)[*:1])c1ccccc1
C[C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(C[*:1])NC[C@@H](c1ccccc1Cl)N1CCOCC1
C[C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)[*:1]
Cc1noc(C(C)C)c1C(=O)Nc1ccccn1 CC(C)[*:1] Cc1noc(c1C(=O)Nc1ccccn1)[*:1]
Cc1noc(C(C)C)c1C(=O)Nc1ccccn1 c1ccc(nc1)[*:1] Cc1noc(c1C(=O)N[*:1])C(C)C
CC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 CC(=O)N[*:1] C[C@@H](c1ccc(cc1)-n1cccn1)[*:1]
CC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC1(C)[C@@H](C(=O)Oc2cccc3cccnc23)[C@@H]1C=C(Br)Br BrC(Br)=C[*:1] CC1(C)[C@@H](C(=O)Oc2cccc3cccnc23)[C@H]1[*:1]
Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(F)cc4F)c(=O)c23)s1 Cc1ccc(s1)[*:1] O=C(Cn1cnc2scc(c2c1=O)[*:1])Nc1ccc(F)cc1F
Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(F)cc4F)c(=O)c23)s1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(s1)-c1csc2ncn(CC(=O)N[*:1])c(=O)c12
Cc1ccc(C(=O)NCC(=O)NCCC[NH+]2CCc3ccccc3C2)cc1C Cc1ccc(cc1C)[*:1] O=C(CNC(=O)[*:1])NCCC[NH+]1CCc2ccccc2C1
Cc1ccc([C@@H](C)NC(=O)NCCOCC(F)(F)F)cc1 FC(F)(F)CO[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)NCC[*:1]
Cc1ccc([C@@H](C)NC(=O)NCCOCC(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)NCCOC[*:1]
Cc1ccc([C@@H](C)NC(=O)NCCOCC(F)(F)F)cc1 FC(F)(F)COC[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)NC[*:1]
Cc1ccc([C@@H](C)NC(=O)NCCOCC(F)(F)F)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)NCCO[*:1]
Cc1ccc([C@@H](C)NC(=O)NCCOCC(F)(F)F)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCCOCC(F)(F)F)[*:1]
CS(=O)(=O)CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 CS(=O)(=O)C[*:1] O=C(N1CCC[C@@]2(CC[NH2+]C2)C1)[*:1]
CS(=O)(=O)CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 CS(=O)(=O)[*:1] O=C(C[*:1])N1CCC[C@@]2(CC[NH2+]C2)C1
O=C1NOC[C@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C1NOC[C@H]1NC(=O)[C@@H]1C[C@@H]1[*:1]
O[C@@H](CSc1cccc(C(F)(F)F)c1)CN1CCN(c2ccc(F)cc2)CC1 FC(F)(F)[*:1] O[C@@H](CSc1cccc(c1)[*:1])CN1CCN(CC1)c1ccc(F)cc1
O[C@@H](CSc1cccc(C(F)(F)F)c1)CN1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O[C@@H](CSc1cccc(c1)C(F)(F)F)CN1CCN(CC1)[*:1]
CC(C)(C)Nc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)Nc1c(cc(cc1[N+](=O)[O-])[*:1])C(N)=O
CC(C)(C)Nc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] CC(C)(C)N[*:1] NC(=O)c1cc(cc(c1[*:1])[N+](=O)[O-])[N+](=O)[O-]
CC(C)(C)Nc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] CC(C)(C)[*:1] NC(=O)c1cc(cc(c1N[*:1])[N+](=O)[O-])[N+](=O)[O-]
CC(C)(C)Nc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] NC(=O)[*:1] CC(C)(C)Nc1c(cc(cc1[*:1])[N+](=O)[O-])[N+](=O)[O-]
CC(C)(C)Nc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)Nc1c(cc(cc1[*:1])[N+](=O)[O-])C(N)=O
COC(=O)C[C@H](C)NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 COC(=O)C[*:1] C[C@H](NC(=O)[C@H]1CCC[C@@H](C1)C(F)(F)F)[*:1]
COC(=O)C[C@H](C)NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] COC(=O)C[C@H](C)NC(=O)[C@H]1CCC[C@H](C1)[*:1]
COC(=O)C[C@H](C)NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 COC(=O)[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1CCC[C@@H](C1)C(F)(F)F
C[C@H]1Oc2c(C(=O)N3CCN(c4cnn(-c5ccccc5)c(=O)c4Cl)CC3)cccc2[C@H]1C c1ccc(cc1)[*:1] C[C@H]1Oc2c(cccc2[C@H]1C)C(=O)N1CCN(CC1)c1cnn(c(=O)c1Cl)[*:1]
Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)c2ccc3c(c2)CCN3)CC1 Cc1ccc(Cl)cc1[*:1] O[C@H](CN1CCN(CC1)[*:1])c1ccc2NCCc2c1
CC(=O)c1c(-c2ccccc2)cn2ccccc12 c1ccc(cc1)[*:1] CC(=O)c1c(cn2ccccc12)[*:1]
CC(=O)c1c(-c2ccccc2)cn2ccccc12 CC(=O)[*:1] c1ccc(cc1)-c1cn2ccccc2c1[*:1]
O=C(CSc1ccc2c(c1)CCC2)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 c1cc2CCCc2cc1[*:1] O=C(CS[*:1])Nc1nc(cs1)-c1ccc2NC(=O)CCc2c1
O=C(CSc1ccc2c(c1)CCC2)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 c1cc2CCCc2cc1S[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc2NC(=O)CCc2c1
O=C1N(CC2CC2)[C@@H](c2cnc(-c3cccs3)s2)NC12CCCC2 c1csc(c1)[*:1] O=C1N(CC2CC2)[C@H](NC12CCCC2)c1cnc(s1)[*:1]
O=C1N(CC2CC2)[C@@H](c2cnc(-c3cccs3)s2)NC12CCCC2 C1CC1[*:1] O=C1N(C[*:1])[C@H](NC12CCCC2)c1cnc(s1)-c1cccs1
O=C1N(CC2CC2)[C@@H](c2cnc(-c3cccs3)s2)NC12CCCC2 C1CC1C[*:1] O=C1N([C@H](NC12CCCC2)c1cnc(s1)-c1cccs1)[*:1]
Cc1cnc(C(C)(C)NC(=O)CCc2ccco2)s1 c1coc(c1)C[*:1] Cc1cnc(s1)C(C)(C)NC(=O)C[*:1]
Cc1cnc(C(C)(C)NC(=O)CCc2ccco2)s1 c1coc(c1)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)CC[*:1]
Cc1cnc(C(C)(C)NC(=O)CCc2ccco2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)CCc1ccco1)[*:1]
COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3cccc(C)c3)C2=O)cc1 Cc1cccc(c1)[*:1] COc1ccc(/C=C2/SC(=O)N(CCC(=O)N[*:1])C2=O)cc1
COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3cccc(C)c3)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CCN1C(=O)SC(=C[*:1])C1=O
O=S(=O)(/N=C(\[N-]c1ccc(Br)cc1)C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(/N=C(\[N-]c1ccc(Br)cc1)C(F)(F)F)[*:1]
O=S(=O)(/N=C(\[N-]c1ccc(Br)cc1)C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] O=S(=O)(/N=C(\[N-]c1ccc(Br)cc1)[*:1])c1ccccc1
O=S(=O)(/N=C(\[N-]c1ccc(Br)cc1)C(F)(F)F)c1ccccc1 Brc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[N-][*:1])C(F)(F)F)c1ccccc1
CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccc(C)cc1 CC[C@@H](C)[*:1] Cc1ccc(cc1)CNC(=O)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)[*:1]
CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[*:1]
CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3OCCOc3c2)[C@H]1[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 COCCC[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccccc1)[*:1])c1ccc2OCCOc2c1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 c1cc2OCCOc2cc1[*:1] COCCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccc1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 COC[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccccc1)c1ccc2OCCOc2c1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 COCC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1)c1ccc2OCCOc2c1
CCCN(Cc1cnn(C)c1)C(=O)NCc1ncc(C)c(OC)c1C Cn1cc(cn1)C[*:1] CCCN(C(=O)NCc1ncc(C)c(OC)c1C)[*:1]
CCCN(Cc1cnn(C)c1)C(=O)NCc1ncc(C)c(OC)c1C Cn1cc(cn1)[*:1] CCCN(C[*:1])C(=O)NCc1ncc(C)c(OC)c1C
CCCN(Cc1cnn(C)c1)C(=O)NCc1ncc(C)c(OC)c1C CCC[*:1] COc1c(C)cnc(CNC(=O)N(Cc2cnn(C)c2)[*:1])c1C
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1=C[C@@H]2N=CC=C2C=C1 Clc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NC1C=CC2=CC=N[C@H]2C=1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)Nc1cc(-n2cnnn2)ccc1F CC[C@H](C)[*:1] C[C@@H](NC(=O)Nc1cc(ccc1F)-n1cnnn1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)Nc1cc(-n2cnnn2)ccc1F c1nnnn1[*:1] CC[C@H](C)[C@@H](C)NC(=O)Nc1cc(ccc1F)[*:1]
CCc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2 c1csc(c1)[*:1] CCc1ccccc1NC(=O)c1c(NC(=O)[*:1])sc2CCCc21
CCc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2 CCc1ccccc1[*:1] O=C(Nc1sc2CCCc2c1C(=O)N[*:1])c1cccs1
CCc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2 O=C(N[*:1])c1cccs1 CCc1ccccc1NC(=O)c1c(sc2CCCc21)[*:1]
CCn1c(N)nc2cc(C(=O)N3CCC(c4cc[nH]n4)CC3)cnc21 c1cc(n[nH]1)[*:1] CCn1c(N)nc2cc(cnc21)C(=O)N1CCC(CC1)[*:1]
COc1ccc2c(c1)C[C@H](C(=O)NCC1(c3ccncc3)CC1)CO2 c1cc(ccn1)[*:1] COc1ccc2OC[C@H](Cc2c1)C(=O)NCC1(CC1)[*:1]
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)cc1 Cc1ccc(cc1)C[*:1] N#C/C(=C\c1cn(c2ccccc12)[*:1])C(=O)NC[C@H]1CCCO1
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] N#C/C(=C\c1cn(C[*:1])c2ccccc12)C(=O)NC[C@H]1CCCO1
Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccc4c(c3)OCO4)oc3ccccc23)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)C(=O)Nc1c(oc2ccccc12)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccc4c(c3)OCO4)oc3ccccc23)cc1 Cc1ccc(cc1)C(=O)N[*:1] O=C(Nc1ccc2OCOc2c1)c1oc2ccccc2c1[*:1]
Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccc4c(c3)OCO4)oc3ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)c1oc2ccccc2c1NC(=O)[*:1]
CCC[NH2+]C[C@@]1(c2cc(C)cc(C)c2)CC[C@@H]1C CCC[*:1] Cc1cc(C)cc(c1)[C@@]1(CC[C@@H]1C)C[NH2+][*:1]
CCOC(=O)c1cc(C#N)c(SCC(=O)c2ccc(Cl)cc2Cl)[nH]c1=O CCOC(=O)[*:1] N#Cc1cc(c(=O)[nH]c1SCC(=O)c1ccc(Cl)cc1Cl)[*:1]
CCOC(=O)c1cc(C#N)c(SCC(=O)c2ccc(Cl)cc2Cl)[nH]c1=O Clc1ccc(c(Cl)c1)[*:1] CCOC(=O)c1cc(C#N)c([nH]c1=O)SCC(=O)[*:1]
COc1ccc(CCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(cc1)CCC(=O)N1CCN(CC1)[*:1]
COc1ccc(CCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
COc1ccc(CCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 COc1ccc(cc1)C[*:1] O=C(C[*:1])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
COc1ccc(CCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)CCC(=O)N1CCN(CC1)c1ccccc1[*:1]
CC(C)(C)C1=NN(CCOc2ccc(F)cc2)C(=O)C1 CC(C)(C)[*:1] O=C1CC(=NN1CCOc1ccc(F)cc1)[*:1]
Cc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1NC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)O[*:1])C(=O)N1CC[NH+](CC1)CC(C)C
Cc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1NC(=O)OC(C)(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](CC1)C[*:1]
Cc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)N1CC[NH+](CC1)CC(C)C
Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Br)s1)C2 c1ccc(cc1)C[*:1] Cn1nc(CO[*:1])c2CN(CCc21)S(=O)(=O)c1ccc(Br)s1
Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Br)s1)C2 c1ccc(cc1)COC[*:1] Cn1nc(c2CN(CCc21)S(=O)(=O)c1ccc(Br)s1)[*:1]
Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Br)s1)C2 c1ccc(cc1)CO[*:1] Cn1nc(C[*:1])c2CN(CCc21)S(=O)(=O)c1ccc(Br)s1
Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Br)s1)C2 c1ccc(cc1)[*:1] Cn1nc(COC[*:1])c2CN(CCc21)S(=O)(=O)c1ccc(Br)s1
Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(Br)s1)C2 Brc1ccc(s1)[*:1] Cn1nc(COCc2ccccc2)c2CN(CCc21)S(=O)(=O)[*:1]
C[C@@H]1CN(C(=O)NCCNc2ncccn2)CCO1 c1cnc(nc1)[*:1] C[C@@H]1CN(CCO1)C(=O)NCCN[*:1]
C[C@H](CNC(=O)c1ccn(-c2ccccc2F)n1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)c1ccn(n1)-c1ccccc1F)[*:1]
C[C@H](CNC(=O)c1ccn(-c2ccccc2F)n1)c1ccsc1 Fc1ccccc1[*:1] C[C@H](CNC(=O)c1ccn(n1)[*:1])c1ccsc1
CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 N#Cc1ccc(c(F)c1)[*:1] CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCCN(C1)[*:1]
CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 C1CO[C@H](C1)C[*:1] CCN(C(=O)N[C@H]1CCCN(C1)c1ccc(C#N)cc1F)[*:1]
CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 C1CO[C@H](C1)[*:1] CCN(C[*:1])C(=O)N[C@H]1CCCN(C1)c1ccc(C#N)cc1F
Cn1cc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(N1CCC[C@@H]1Cc1ccccc1)[*:1]
Cn1cc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)S(=O)(=O)N1CCC[C@@H]1C[*:1]
Cn1cc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)S(=O)(=O)N1CCC[C@H]1[*:1]
CCC(CC)Oc1ccc(C)nc1CCl CCC(CC)[*:1] Cc1ccc(O[*:1])c(CCl)n1
C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1C[C@H]1C C[C@@H]1C[C@@H]1[*:1] C[C@@H](NC(=O)c1ccco1)C(=O)N[*:1]
C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1C[C@H]1C c1coc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N[C@H]1C[C@H]1C
CC[C@@H](C[NH3+])[C@]1(O)CCC[C@H](C(C)C)CC1 CC(C)[*:1] CC[C@@H](C[NH3+])[C@]1(O)CCC[C@H](CC1)[*:1]
CCOC(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 CC(C)C[*:1] CCOC(=O)CSc1ncnc2c1sc1nc(c3CCCc3c12)[*:1]
CCOC(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 CCOC(=O)CS[*:1] CC(C)Cc1nc2sc3c(ncnc3c2c2CCCc12)[*:1]
CCOC(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 CCOC(=O)C[*:1] CC(C)Cc1nc2sc3c(ncnc3c2c2CCCc12)S[*:1]
CCOC(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 CCOC(=O)[*:1] CC(C)Cc1nc2sc3c(ncnc3c2c2CCCc12)SC[*:1]
CCOC(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 CC(C)[*:1] CCOC(=O)CSc1ncnc2c1sc1nc(C[*:1])c3CCCc3c12
COc1ccc(NC(=O)[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@H](C)[*:1]
Cc1ccc(-c2cc(Cl)ccc2Cl)c(C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(-c2cc(Cl)ccc2Cl)c(c1)[*:1]
Cc1ccc(C(=O)Nc2cc(-c3cccs3)no2)s1 Cc1ccc(s1)[*:1] O=C(Nc1cc(no1)-c1cccs1)[*:1]
Cc1ccc(C(=O)Nc2cc(-c3cccs3)no2)s1 c1csc(c1)[*:1] Cc1ccc(s1)C(=O)Nc1cc(no1)[*:1]
Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)nc2c1CCC(=O)N2C CC(C)[*:1] Cc1nc(nc2c1CCC(=O)N2C)[C@@H]1CCCN(C1)C(=O)c1cc(n[nH]1)[*:1]
Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)nc2c1CCC(=O)N2C CC(C)c1cc([nH]n1)[*:1] Cc1nc(nc2c1CCC(=O)N2C)[C@@H]1CCCN(C1)C(=O)[*:1]
CC[C@H](C)Nc1ccc(C(=O)N(C)C)nn1 CN(C)C(=O)[*:1] CC[C@H](C)Nc1ccc(nn1)[*:1]
CC[C@H](C)Nc1ccc(C(=O)N(C)C)nn1 CC[C@H](C)N[*:1] CN(C)C(=O)c1ccc(nn1)[*:1]
CC[C@H](C)Nc1ccc(C(=O)N(C)C)nn1 CC[C@H](C)[*:1] CN(C)C(=O)c1ccc(nn1)N[*:1]
O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ncc(-c2ccc(F)cc2)o1 c1ccc(cc1)C[*:1] O=C1N[C@](C(=O)N1Cc1ncc(o1)-c1ccc(F)cc1)(c1ccccc1)[*:1]
O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ncc(-c2ccc(F)cc2)o1 c1ccc(cc1)[*:1] O=C1N[C@@](Cc2ccccc2)(C(=O)N1Cc1ncc(o1)-c1ccc(F)cc1)[*:1]
O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ncc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C1N[C@](Cc2ccccc2)(C(=O)N1Cc1ncc(o1)[*:1])c1ccccc1
O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ncc(-c2ccc(F)cc2)o1 c1ccc(cc1)[*:1] O=C1N[C@](C[*:1])(C(=O)N1Cc1ncc(o1)-c1ccc(F)cc1)c1ccccc1
C/C(=N\NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc2ccccc2c1 Clc1ccc(cc1)[*:1] C/C(=N\NC(=O)CNC(=O)[*:1])c1ccc2ccccc2c1
O=C(Cn1cccc(C(F)(F)F)c1=O)c1ccccc1F FC(F)(F)[*:1] O=C(Cn1cccc(c1=O)[*:1])c1ccccc1F
O=C(Cn1cccc(C(F)(F)F)c1=O)c1ccccc1F Fc1ccccc1[*:1] O=C(Cn1cccc(c1=O)C(F)(F)F)[*:1]
C=CCc1cc([C@H]([NH3+])CO)cc(OC)c1OCC C=CC[*:1] CCOc1c(cc(cc1[*:1])[C@H]([NH3+])CO)OC
C=CCc1cc([C@H]([NH3+])CO)cc(OC)c1OCC CCO[*:1] C=CCc1cc(cc(OC)c1[*:1])[C@H]([NH3+])CO
CCOc1cc2c(cc1CNC(=O)NCc1ccc(-n3cccn3)nc1)O[C@H](C)C2 c1cnn(c1)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1CNC(=O)NCc1ccc(nc1)[*:1]
CCOc1cc2c(cc1CNC(=O)NCc1ccc(-n3cccn3)nc1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)CNC(=O)NCc1ccc(nc1)-n1cccn1)[*:1]
CC[C@@H](CNC(=O)Nc1ccc(C(N)=O)cc1F)Oc1ccccc1C Cc1ccccc1O[*:1] CC[C@@H](CNC(=O)Nc1ccc(cc1F)C(N)=O)[*:1]
CC[C@@H](CNC(=O)Nc1ccc(C(N)=O)cc1F)Oc1ccccc1C NC(=O)[*:1] CC[C@@H](CNC(=O)Nc1ccc(cc1F)[*:1])Oc1ccccc1C
CC[C@@H](CNC(=O)Nc1ccc(C(N)=O)cc1F)Oc1ccccc1C Cc1ccccc1[*:1] CC[C@@H](CNC(=O)Nc1ccc(cc1F)C(N)=O)O[*:1]
O=S(=O)(CC1CCC1)NCc1nc(-c2cccc(Cl)c2)no1 C1CC(C1)C[*:1] O=S(=O)(NCc1nc(no1)-c1cccc(Cl)c1)[*:1]
O=S(=O)(CC1CCC1)NCc1nc(-c2cccc(Cl)c2)no1 C1CC(C1)[*:1] O=S(=O)(C[*:1])NCc1nc(no1)-c1cccc(Cl)c1
O=S(=O)(CC1CCC1)NCc1nc(-c2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] O=S(=O)(CC1CCC1)NCc1nc(no1)[*:1]
O=C(OC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccncc1Cl c1ccc(cc1)[*:1] O=C(OC[C@@H]1CN(CCO1)C[*:1])c1ccncc1Cl
O=C(OC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccncc1Cl c1ccc(cc1)C[*:1] O=C(OC[C@@H]1CN(CCO1)[*:1])c1ccncc1Cl
O=C(OC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccncc1Cl Clc1cnccc1[*:1] O=C(OC[C@@H]1CN(CCO1)Cc1ccccc1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3cc4cccc(OC)c4o3)C2)c1 CCOC(=O)[*:1] COc1cccc2cc(oc12)C(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
C[NH+]1CCN(c2ccc(F)cc2S(C)(=O)=O)CC1 CS(=O)(=O)[*:1] C[NH+]1CCN(CC1)c1ccc(F)cc1[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccccc2O)on1 Oc1ccccc1[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)c1cc(on1)[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccccc2O)on1 FC(F)(F)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1cc(on1)-c1ccccc1O
Cc1ccc(/N=C2\N=C([O-])S\C2=C/c2cccnc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)/N=C1\N=C([O-])SC1=C[*:1]
Cc1ccc(/N=C2\N=C([O-])S\C2=C/c2cccnc2)cc1 Cc1ccc(cc1)[*:1] [O-]C1=NC(=N[*:1])/C(=C/c2cccnc2)S1
O=C(CC1CC1)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 Fc1ccc(cc1F)[*:1] O=C(CC1CC1)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
O=C(CC1CC1)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 C1CC1C[*:1] O=C1N(CCC[C@]12CCN(C2)C(=O)[*:1])Cc1ccc(F)c(F)c1
O=C(CC1CC1)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 C1CC1[*:1] O=C(C[*:1])N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1
COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 COc1ccccc1[*:1] Cc1cc(C)cc(c1)N1C[C@H](CC1=O)C(=O)N[*:1]
COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 Cc1cc(C)cc(c1)[*:1] COc1ccccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COC(=O)CCCc1nc(Cn2cnc3c(C)cccc3c2=O)no1 COC(=O)CC[*:1] Cc1cccc2c(=O)n(cnc12)Cc1noc(C[*:1])n1
COC(=O)CCCc1nc(Cn2cnc3c(C)cccc3c2=O)no1 COC(=O)CCC[*:1] Cc1cccc2c(=O)n(cnc12)Cc1noc(n1)[*:1]
COC(=O)CCCc1nc(Cn2cnc3c(C)cccc3c2=O)no1 COC(=O)C[*:1] Cc1cccc2c(=O)n(cnc12)Cc1noc(CC[*:1])n1
COC(=O)CCCc1nc(Cn2cnc3c(C)cccc3c2=O)no1 COC(=O)[*:1] Cc1cccc2c(=O)n(cnc12)Cc1noc(CCC[*:1])n1
C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 O=S(=O)(N1CCCC1)[*:1] C[NH+](C)[C@H]1Cc2ccccc2N(C1)C(=O)CCc1ccc(cc1)[*:1]
CC(C)(C)C[C@H](CO)NC(=O)c1cccnc1Br CC(C)(C)[*:1] O=C(N[C@@H](CO)C[*:1])c1cccnc1Br
CC(C)(C)C[C@H](CO)NC(=O)c1cccnc1Br CC(C)(C)C[*:1] O=C(N[C@@H](CO)[*:1])c1cccnc1Br
O=C(NC1CCCC1)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1 O=C(NC1CCCC1)[*:1] O=c1ccc(nn1Cc1ccc(o1)[*:1])N1CCN(CC1)c1ccccc1
O=C(NC1CCCC1)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1 c1ccc(cc1)[*:1] O=C(NC1CCCC1)c1ccc(Cn2nc(ccc2=O)N2CCN(CC2)[*:1])o1
O=C(NC1CCCC1)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1 C1CCC(C1)[*:1] O=C(N[*:1])c1ccc(Cn2nc(ccc2=O)N2CCN(CC2)c2ccccc2)o1
CC(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O CC(C)C[*:1] O=C(C[*:1])N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O
CC(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O CC(C)[*:1] O=C(CC[*:1])N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O
CC(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O CC(C)CC[*:1] O=C(N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[*:1]
CC(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O O[C@H]1CCC[C@H]1[*:1] CC(C)CCC(=O)N1CCCC[C@H]1[*:1]
O=C([O-])c1cc(-n2ccnc2)ccn1 O=C([O-])[*:1] c1cn(cn1)-c1ccnc(c1)[*:1]
Cc1nc(N2CCCC2)ncc1C(=O)Nc1cccc([N+](=O)[O-])c1 C1CCN(C1)[*:1] Cc1nc(ncc1C(=O)Nc1cccc(c1)[N+](=O)[O-])[*:1]
Cc1nc(N2CCCC2)ncc1C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1nc(ncc1C(=O)Nc1cccc(c1)[*:1])N1CCCC1
Cn1cc[nH+]c1N1CCN(CC(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] Cn1cc[nH+]c1N1CCN(CC1)CC(=O)N[*:1]
CC(C)CS[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 CC(C)CS[*:1] C[C@@H](NC(=O)[C@@H](C)[*:1])c1ccc(F)cc1
CC(C)CS[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 CC(C)[*:1] C[C@@H](SC[*:1])C(=O)N[C@H](C)c1ccc(F)cc1
CC(C)CS[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 CC(C)C[*:1] C[C@@H](S[*:1])C(=O)N[C@H](C)c1ccc(F)cc1
Cc1cccc(C(=O)NCC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1 Cc1cccc(c1)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)CNC(=O)[*:1])c1=O
Cc1cccc(C(=O)NCC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1 Cn1cnn(c1=O)[*:1] Cc1cccc(c1)C(=O)NCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1C Cc1ccccc1[*:1] C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)N[*:1]
Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1C Fc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(n1C)[*:1]
COC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2C(C)(C)N1C(=O)CCl COC(=O)[*:1] CC1(C)[C@@H]2[NH+]=c3ccccc3=C2C[C@H](N1C(=O)CCl)[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccc(Cl)cc1 Clc1ccc(cn1)[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)[*:1]
O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[*:1]
O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 Clc1cccc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])[C@H]1CCS(=O)(=O)C1
CCN(C[C@@H]1CCOC1)C(=O)c1nc[nH]n1 c1nc(n[nH]1)[*:1] CCN(C[C@@H]1CCOC1)C(=O)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)c1nc[nH]n1 C1C[C@H](CO1)[*:1] CCN(C[*:1])C(=O)c1nc[nH]n1
COC[C@H](C)NC(=O)c1cccc(NC(=O)C2CC2)c1 COC[C@H](C)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)C1CC1
COC[C@H](C)NC(=O)c1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 COC[C@H](C)NC(=O)c1cccc(c1)[*:1]
COC[C@H](C)NC(=O)c1cccc(NC(=O)C2CC2)c1 COC[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)C1CC1)[*:1]
COC[C@H](C)NC(=O)c1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] COC[C@H](C)NC(=O)c1cccc(c1)NC(=O)[*:1]
CC(=O)Oc1ccc(C(=O)/N=c2\sccn2Cc2ccccc2)cc1 CC(=O)O[*:1] O=C(/N=c1\sccn1Cc1ccccc1)c1ccc(cc1)[*:1]
CC(=O)Oc1ccc(C(=O)/N=c2\sccn2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Oc1ccc(cc1)C(=O)/N=c1\sccn1C[*:1]
CC(=O)Oc1ccc(C(=O)/N=c2\sccn2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(=O)Oc1ccc(cc1)C(=O)/N=c1\sccn1[*:1]
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)[C@H]2[C@@H]1C(=O)[O-] Oc1ccc(cc1)[*:1] CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)[*:1])C(=O)[C@H]2[C@@H]1C(=O)[O-]
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)[C@H]2[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)[C@H]2[C@H]1[*:1]
CCCN[C@@H](Cc1ccccc1Cl)C[NH+](C)C CCC[*:1] C[NH+](C)C[C@H](Cc1ccccc1Cl)N[*:1]
CCCN[C@@H](Cc1ccccc1Cl)C[NH+](C)C CCCN[*:1] C[NH+](C)C[C@H](Cc1ccccc1Cl)[*:1]
CC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)CCOC(C)C)C1 CC(C)[*:1] CC[C@@]1(CCCN(C1)S(=O)(=O)CCO[*:1])C(=O)[O-]
CC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)CCOC(C)C)C1 O=C([O-])[*:1] CC[C@@]1(CCCN(C1)S(=O)(=O)CCOC(C)C)[*:1]
CC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)CCOC(C)C)C1 CC(C)OC[*:1] CC[C@@]1(CCCN(C1)S(=O)(=O)C[*:1])C(=O)[O-]
CC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)CCOC(C)C)C1 CC(C)OCC[*:1] CC[C@@]1(CCCN(C1)S(=O)(=O)[*:1])C(=O)[O-]
CC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)CCOC(C)C)C1 CC(C)O[*:1] CC[C@@]1(CCCN(C1)S(=O)(=O)CC[*:1])C(=O)[O-]
COC(=O)N(C)c1ccc(OC(C)C)cc1 CC(C)O[*:1] COC(=O)N(C)c1ccc(cc1)[*:1]
COC(=O)N(C)c1ccc(OC(C)C)cc1 CC(C)[*:1] COC(=O)N(C)c1ccc(cc1)O[*:1]
O=C(C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CC[C@H](c2ccccc2F)C1 C1CCC(C1)[*:1] O=C(C[C@@]1(CC(=O)N(C1=O)[*:1])c1cccc(F)c1)N1CC[C@@H](C1)c1ccccc1F
O=C(C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CC[C@H](c2ccccc2F)C1 Fc1cccc(c1)[*:1] O=C(C[C@@]1(CC(=O)N(C1=O)C1CCCC1)[*:1])N1CC[C@@H](C1)c1ccccc1F
O=C(C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CC[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(C[C@@]1(CC(=O)N(C1=O)C1CCCC1)c1cccc(F)c1)N1CC[C@H](C1)[*:1]
O=C(NC(=S)N(CCO)Cc1ccccc1)c1cc(Br)ccc1Cl c1ccc(cc1)[*:1] O=C(NC(=S)N(CCO)C[*:1])c1cc(Br)ccc1Cl
O=C(NC(=S)N(CCO)Cc1ccccc1)c1cc(Br)ccc1Cl Clc1ccc(Br)cc1[*:1] O=C(NC(=S)N(CCO)Cc1ccccc1)[*:1]
O=C(NC(=S)N(CCO)Cc1ccccc1)c1cc(Br)ccc1Cl OCC[*:1] O=C(NC(=S)N(Cc1ccccc1)[*:1])c1cc(Br)ccc1Cl
O=C(NC(=S)N(CCO)Cc1ccccc1)c1cc(Br)ccc1Cl c1ccc(cc1)C[*:1] O=C(NC(=S)N(CCO)[*:1])c1cc(Br)ccc1Cl
Cc1csc(CN(C)C(=O)c2cc(C[NH+](C)Cc3ccccc3)on2)n1 c1ccc(cc1)C[*:1] Cc1csc(CN(C)C(=O)c2cc(C[NH+](C)[*:1])on2)n1
Cc1csc(CN(C)C(=O)c2cc(C[NH+](C)Cc3ccccc3)on2)n1 c1ccc(cc1)[*:1] Cc1csc(CN(C)C(=O)c2cc(C[NH+](C)C[*:1])on2)n1
Cc1csc(CN(C)C(=O)c2cc(C[NH+](C)Cc3ccccc3)on2)n1 Cc1csc(n1)[*:1] CN(C[*:1])C(=O)c1cc(C[NH+](C)Cc2ccccc2)on1
Cc1csc(CN(C)C(=O)c2cc(C[NH+](C)Cc3ccccc3)on2)n1 Cc1csc(C[*:1])n1 CN(C(=O)c1cc(C[NH+](C)Cc2ccccc2)on1)[*:1]
C[C@H](C(=O)N1CCCC[C@H]1CCc1ccccc1)C1CCOCC1 c1ccc(cc1)C[*:1] C[C@H](C(=O)N1CCCC[C@H]1C[*:1])C1CCOCC1
C[C@H](C(=O)N1CCCC[C@H]1CCc1ccccc1)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H](C(=O)N1CCCC[C@H]1CCc1ccccc1)[*:1]
C[C@H](C(=O)N1CCCC[C@H]1CCc1ccccc1)C1CCOCC1 c1ccc(cc1)[*:1] C[C@H](C(=O)N1CCCC[C@H]1CC[*:1])C1CCOCC1
C[C@H](C(=O)N1CCCC[C@H]1CCc1ccccc1)C1CCOCC1 c1ccc(cc1)CC[*:1] C[C@H](C(=O)N1CCCC[C@@H]1[*:1])C1CCOCC1
O=C(CCOc1ccc(F)cc1)N1CCC[C@@H]1Cn1cccn1 Fc1ccc(cc1)[*:1] O=C(CCO[*:1])N1CCC[C@@H]1Cn1cccn1
O=C(CCOc1ccc(F)cc1)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C(CCOc1ccc(F)cc1)N1CCC[C@@H]1C[*:1]
O=C(CCOc1ccc(F)cc1)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C(CCOc1ccc(F)cc1)N1CCC[C@H]1[*:1]
COC(=O)c1sc(NC(=O)c2cc(C)oc2C)nc1C COC(=O)[*:1] Cc1cc(C(=O)Nc2nc(C)c(s2)[*:1])c(C)o1
C[C@H]1C[C@H](Sc2nc3ccccc3c(=O)n2CCCO)C(=O)O1 OCCC[*:1] C[C@H]1C[C@H](Sc2nc3ccccc3c(=O)n2[*:1])C(=O)O1
C[C@H]1C[C@H](Sc2nc3ccccc3c(=O)n2CCCO)C(=O)O1 OCC[*:1] C[C@H]1C[C@H](Sc2nc3ccccc3c(=O)n2C[*:1])C(=O)O1
Cc1ccccc1OCCN(C)C(=O)c1ccccc1Cn1cncn1 Cc1ccccc1[*:1] CN(CCO[*:1])C(=O)c1ccccc1Cn1cncn1
Cc1ccccc1OCCN(C)C(=O)c1ccccc1Cn1cncn1 c1ncn(n1)[*:1] Cc1ccccc1OCCN(C)C(=O)c1ccccc1C[*:1]
Cc1ccccc1OCCN(C)C(=O)c1ccccc1Cn1cncn1 Cc1ccccc1O[*:1] CN(CC[*:1])C(=O)c1ccccc1Cn1cncn1
Cc1ccccc1OCCN(C)C(=O)c1ccccc1Cn1cncn1 c1ncn(C[*:1])n1 Cc1ccccc1OCCN(C)C(=O)c1ccccc1[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N[C@H]3[C@@H]4CCO[C@@H]4C3(C)C)ccc21 CCC[*:1] CC1(C)[C@@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3[*:1])[C@@H]2CCO[C@@H]21
CC(=O)NC1CC[NH+](CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)CC1 Cc1ccc(cc1)CC[*:1] CC(=O)NC1CC[NH+](CC1)CC(=O)N1CCC(CC1)[*:1]
CC(=O)NC1CC[NH+](CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)CC1 CC(=O)N[*:1] Cc1ccc(cc1)CCC1CCN(CC1)C(=O)C[NH+]1CCC(CC1)[*:1]
CC(=O)NC1CC[NH+](CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)CC1 Cc1ccc(cc1)C[*:1] CC(=O)NC1CC[NH+](CC1)CC(=O)N1CCC(CC1)C[*:1]
CC(=O)NC1CC[NH+](CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)CC1 Cc1ccc(cc1)[*:1] CC(=O)NC1CC[NH+](CC1)CC(=O)N1CCC(CC1)CC[*:1]
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc3c(c1)OCO3)S[C@@H](C)C(=O)N2 c1cc2OCOc2cc1[*:1] Cc1nn(-c2ccccc2)c2NC(=O)[C@H](C)S[C@H](c12)[*:1]
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc3c(c1)OCO3)S[C@@H](C)C(=O)N2 c1ccc(cc1)[*:1] Cc1nn(c2NC(=O)[C@H](C)S[C@H](c3ccc4OCOc4c3)c12)[*:1]
Cc1noc(C)c1CN(C)C(=O)N[C@@H]1CCOc2ccccc21 Cc1noc(C)c1[*:1] CN(C[*:1])C(=O)N[C@@H]1CCOc2ccccc21
COc1ccc(OC(=O)[C@@H](C)N2CCc3ccccc3C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OC(=O)[C@@H](C)N2CCc3ccccc3C2)c(c1)[*:1]
CCOC(=O)NNC(=O)[C@@H](C)Sc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)NNC(=O)[C@@H](C)S[*:1]
O=c1c(-c2nccs2)nc2ccc(NCc3c(F)cccc3F)nc2n1Cc1ccncc1 Fc1cccc(F)c1[*:1] O=c1c(nc2ccc(nc2n1Cc1ccncc1)NC[*:1])-c1nccs1
O=c1c(-c2nccs2)nc2ccc(NCc3c(F)cccc3F)nc2n1Cc1ccncc1 c1csc(n1)[*:1] O=c1c(nc2ccc(nc2n1Cc1ccncc1)NCc1c(F)cccc1F)[*:1]
O=c1c(-c2nccs2)nc2ccc(NCc3c(F)cccc3F)nc2n1Cc1ccncc1 Fc1cccc(F)c1CN[*:1] O=c1c(nc2ccc(nc2n1Cc1ccncc1)[*:1])-c1nccs1
O=c1c(-c2nccs2)nc2ccc(NCc3c(F)cccc3F)nc2n1Cc1ccncc1 Fc1cccc(F)c1C[*:1] O=c1c(nc2ccc(nc2n1Cc1ccncc1)N[*:1])-c1nccs1
O=c1c(-c2nccs2)nc2ccc(NCc3c(F)cccc3F)nc2n1Cc1ccncc1 c1cc(ccn1)[*:1] O=c1c(nc2ccc(nc2n1C[*:1])NCc1c(F)cccc1F)-c1nccs1
O=c1c(-c2nccs2)nc2ccc(NCc3c(F)cccc3F)nc2n1Cc1ccncc1 c1cc(ccn1)C[*:1] O=c1c(nc2ccc(nc2n1[*:1])NCc1c(F)cccc1F)-c1nccs1
Cc1csc(=O)n1CCSc1nnc(-c2ccc(F)cc2)n1C Cc1csc(=O)n1[*:1] Cn1c(nnc1-c1ccc(F)cc1)SCC[*:1]
Cc1csc(=O)n1CCSc1nnc(-c2ccc(F)cc2)n1C Fc1ccc(cc1)[*:1] Cc1csc(=O)n1CCSc1nnc(n1C)[*:1]
Cc1cccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])c1cccn(Cc2ccccc2F)c1=O
Cc1cccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c1 Fc1ccccc1C[*:1] Cc1cccc(c1)NC(=O)c1cccn(c1=O)[*:1]
Cc1cccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c1 Fc1ccccc1[*:1] Cc1cccc(c1)NC(=O)c1cccn(C[*:1])c1=O
Cc1nc2cc(NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccs3)ccc2o1 c1ccc2c(c[nH]c2c1)C[*:1] Cc1nc2cc(ccc2o1)NC(=O)[C@@H](NC(=O)c1cccs1)[*:1]
Cc1nc2cc(NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccs3)ccc2o1 c1csc(c1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[*:1]
Cc1nc2cc(NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccs3)ccc2o1 Cc1nc2cc(ccc2o1)[*:1] O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1])c1cccs1
Cc1nc2cc(NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccs3)ccc2o1 O=C(N[*:1])c1cccs1 Cc1nc2cc(ccc2o1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
Cc1nc2cc(NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccs3)ccc2o1 c1ccc2c(c[nH]c2c1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)[C@@H](C[*:1])NC(=O)c1cccs1
CCc1cccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)CCC(=O)[*:1]
COC[C@](C)(O)[C@@]1(C#N)CCCc2ccccc21 COC[*:1] C[C@](O)([C@@]1(C#N)CCCc2ccccc21)[*:1]
CCc1ncc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 CCc1ncc(s1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)C1CCN(CC1)C[*:1]
CCc1ncc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 CCc1ncc(C[*:1])s1 O=C(Nc1ccc(F)c(Cl)c1)C1CCN(CC1)[*:1]
CCc1ncc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 Fc1ccc(cc1Cl)[*:1] CCc1ncc(CN2CCC(CC2)C(=O)N[*:1])s1
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CC2(O)CCCC2)CC1 OC1(CCCC1)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)C[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CC2(O)CCCC2)CC1 OC1(CCCC1)C[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CC2(O)CCCC2)CC1 O=C(N1CCCC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)CC1(O)CCCC1)[*:1]
CC(C)OCC[C@@H]1CCCCN1c1ncc(Cl)cn1 CC(C)O[*:1] Clc1cnc(nc1)N1CCCC[C@H]1CC[*:1]
CC(C)OCC[C@@H]1CCCCN1c1ncc(Cl)cn1 CC(C)OCC[*:1] Clc1cnc(nc1)N1CCCC[C@H]1[*:1]
CC(C)OCC[C@@H]1CCCCN1c1ncc(Cl)cn1 CC(C)OC[*:1] Clc1cnc(nc1)N1CCCC[C@H]1C[*:1]
CC(C)OCC[C@@H]1CCCCN1c1ncc(Cl)cn1 CC(C)[*:1] Clc1cnc(nc1)N1CCCC[C@H]1CCO[*:1]
Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)coc2c1 Cc1ccc2c(coc2c1)[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)coc2c1 C(=C[*:1])c1ccccc1 Cc1ccc2c(coc2c1)CC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)coc2c1 c1ccc(cc1)[*:1] Cc1ccc2c(coc2c1)CC(=O)N1CCN(CC1)S(=O)(=O)C=C[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)N2CCCC2(C)C)cc1Cl CCN(CC)C(=O)[*:1] CC1(C)CCCN1C(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1ccc(NC(=O)N(CC(=O)[O-])CC(=O)[O-])c(C)n1 O=C([O-])[*:1] Cc1ccc(NC(=O)N(CC(=O)[O-])C[*:1])c(C)n1
Cc1ccc(NC(=O)N(CC(=O)[O-])CC(=O)[O-])c(C)n1 O=C([O-])C[*:1] Cc1ccc(NC(=O)N(CC(=O)[O-])[*:1])c(C)n1
CC[C@@H](C)Oc1c(Cl)cc(-c2ncc[nH]2)cc1OC CC[C@@H](C)O[*:1] COc1cc(cc(Cl)c1[*:1])-c1ncc[nH]1
CC[C@@H](C)Oc1c(Cl)cc(-c2ncc[nH]2)cc1OC CC[C@@H](C)[*:1] COc1cc(cc(Cl)c1O[*:1])-c1ncc[nH]1
CC[C@@H](C)Oc1c(Cl)cc(-c2ncc[nH]2)cc1OC c1c[nH]c(n1)[*:1] CC[C@@H](C)Oc1c(Cl)cc(cc1OC)[*:1]
C[C@H](CNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@H]1CCCN(C1)C(=O)NC1CCCC1)N[*:1]
C[C@H](CNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)Nc1ccccc1 C[C@H](Nc1ccccc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)NC1CCCC1
C[C@H](CNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@H](CNC(=O)[C@H]1CCCN(C1)C(=O)NC1CCCC1)[*:1]
C[C@H](CNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)Nc1ccccc1 C1CCC(C1)[*:1] C[C@H](CNC(=O)[C@H]1CCCN(C1)C(=O)N[*:1])Nc1ccccc1
O=C(CNc1ccc(F)cc1)N1CCc2ccccc2C1 Fc1ccc(cc1)[*:1] O=C(CN[*:1])N1CCc2ccccc2C1
COC(=O)Cn1ncc2c(NCc3ccc(O)c(F)c3)ncnc21 COC(=O)C[*:1] Oc1ccc(cc1F)CNc1ncnc2c1cnn2[*:1]
COC(=O)Cn1ncc2c(NCc3ccc(O)c(F)c3)ncnc21 COC(=O)[*:1] Oc1ccc(cc1F)CNc1ncnc2c1cnn2C[*:1]
COC(=O)Cn1ncc2c(NCc3ccc(O)c(F)c3)ncnc21 Oc1ccc(cc1F)[*:1] COC(=O)Cn1ncc2c(ncnc21)NC[*:1]
CCOCC[C@@H]1CCC[C@@]1([NH2+]C1CC1)C(=O)[O-] CCOC[*:1] O=C([O-])[C@@]1(CCC[C@H]1C[*:1])[NH2+]C1CC1
CCOCC[C@@H]1CCC[C@@]1([NH2+]C1CC1)C(=O)[O-] O=C([O-])[*:1] CCOCC[C@@H]1CCC[C@]1([NH2+]C1CC1)[*:1]
CCOCC[C@@H]1CCC[C@@]1([NH2+]C1CC1)C(=O)[O-] C1CC1[*:1] CCOCC[C@@H]1CCC[C@@]1([NH2+][*:1])C(=O)[O-]
CCOCC[C@@H]1CCC[C@@]1([NH2+]C1CC1)C(=O)[O-] CCO[*:1] O=C([O-])[C@@]1(CCC[C@H]1CC[*:1])[NH2+]C1CC1
CCOCC[C@@H]1CCC[C@@]1([NH2+]C1CC1)C(=O)[O-] CCOCC[*:1] O=C([O-])[C@@]1(CCC[C@H]1[*:1])[NH2+]C1CC1
CC(C)CS(=O)(=O)CCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 CC(C)C[*:1] O=C(CCS(=O)(=O)[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
CC(C)CS(=O)(=O)CCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 CC(C)CS(=O)(=O)[*:1] O=C(CC[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
CC(C)CS(=O)(=O)CCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 CC(C)CS(=O)(=O)C[*:1] O=C(C[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
CC(C)CS(=O)(=O)CCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 CC(C)[*:1] O=C(CCS(=O)(=O)C[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
O=C(CSCc1cccnc1)N[C@@H]1CCc2c(O)cccc21 c1cncc(c1)C[*:1] O=C(CS[*:1])N[C@@H]1CCc2c(O)cccc21
O=C(CSCc1cccnc1)N[C@@H]1CCc2c(O)cccc21 c1cncc(c1)[*:1] O=C(CSC[*:1])N[C@@H]1CCc2c(O)cccc21
CC(C)c1cc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c2cnn(C(C)C)c2n1 c1ncn(n1)[*:1] CC(C)c1cc(C(=O)Nc2ccc(cc2)NC(=O)[C@H](C)[*:1])c2cnn(c2n1)C(C)C
CC(C)c1cc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)c1cc(C(=O)Nc2ccc(cc2)NC(=O)[C@H](C)n2cncn2)c2cnn(c2n1)[*:1]
CC(C)c1cc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)Nc1ccc(cc1)NC(=O)[C@H](C)n1cncn1
O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC(Oc2ccccc2)CC1 c1cc(n[nH]1)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC(CC1)Oc1ccccc1
O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC(Oc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)N1CCC(CC1)[*:1]
O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC(Oc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)N1CCC(CC1)O[*:1]
c1ccc(CSc2nnnn2C2CCOCC2)cc1 C1CC(CCO1)[*:1] c1ccc(cc1)CSc1nnnn1[*:1]
c1ccc(CSc2nnnn2C2CCOCC2)cc1 c1ccc(cc1)[*:1] C1CC(CCO1)n1nnnc1SC[*:1]
Cc1sc2ncc(C(=O)NCCc3ccccn3)c(=O)n2c1C c1ccc(C[*:1])nc1 Cc1sc2ncc(C(=O)NC[*:1])c(=O)n2c1C
Cc1sc2ncc(C(=O)NCCc3ccccn3)c(=O)n2c1C c1ccc(nc1)[*:1] Cc1sc2ncc(C(=O)NCC[*:1])c(=O)n2c1C
COc1ccc(Br)cc1S(=O)(=O)[N-]c1c(C)cccc1C(N)=O NC(=O)[*:1] COc1ccc(Br)cc1S(=O)(=O)[N-]c1c(C)cccc1[*:1]
Cc1ccn2c(CN3CCN(CC(F)(F)F)[C@H](C)C3)cnc2c1 FC(F)(F)C[*:1] Cc1ccn2c(cnc2c1)CN1CCN([C@H](C)C1)[*:1]
Cc1ccn2c(CN3CCN(CC(F)(F)F)[C@H](C)C3)cnc2c1 FC(F)(F)[*:1] Cc1ccn2c(cnc2c1)CN1CCN(C[*:1])[C@H](C)C1
CCCCc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc3ccccc23)n1 CCCC[*:1] C[C@H]([NH2+][C@H](C)c1nc(no1)[*:1])c1cccc2ccccc12
CCCCc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc3ccccc23)n1 CCC[*:1] C[C@H]([NH2+][C@H](C)c1nc(C[*:1])no1)c1cccc2ccccc12
COc1nc2ccccc2nc1C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] COc1nc2ccccc2nc1C(=O)Nc1ccccc1[*:1]
Cc1nccn1-c1ccc(N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)nn1 Cc1nccn1[*:1] O=C(Cn1cnc2ccccc2c1=O)N1CCN(CC1)c1ccc(nn1)[*:1]
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)CCCC2=N1 CCc1ccccc1[*:1] N#CC1=C(N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc2OCOc2c1)SCC(=O)N[*:1]
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)CCCC2=N1 CCc1ccccc1NC(=O)[*:1] N#CC1=C(N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc2OCOc2c1)SC[*:1]
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)CCCC2=N1 c1cc2OCOc2cc1[*:1] CCc1ccccc1NC(=O)CSC1N=C2CCCC(=O)[C@@H]2[C@H](C=1C#N)[*:1]
Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2CCOC(C)C)cc1C CC(C)OC[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N1CCCC[C@@H]1C[*:1]
Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2CCOC(C)C)cc1C Cc1ccc(cc1C)[*:1] CC(C)OCC[C@H]1CCCCN1C(=O)CNC(=O)[*:1]
Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2CCOC(C)C)cc1C CC(C)OCC[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N1CCCC[C@H]1[*:1]
Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2CCOC(C)C)cc1C CC(C)[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N1CCCC[C@@H]1CCO[*:1]
Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2CCOC(C)C)cc1C CC(C)O[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N1CCCC[C@@H]1CC[*:1]
CS(=O)(=O)c1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1 CS(=O)(=O)[*:1] c1ccc(cc1)-c1csc2ncnc(Oc3ccc(cc3)[*:1])c12
CS(=O)(=O)c1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)Oc1ncnc2scc(c12)[*:1]
COc1ccc(O[C@H](F)C(=O)[O-])c(C(C)(C)C)c1 O=C([O-])[*:1] COc1ccc(O[C@H](F)[*:1])c(c1)C(C)(C)C
COc1ccc(O[C@H](F)C(=O)[O-])c(C(C)(C)C)c1 CC(C)(C)[*:1] COc1ccc(O[C@H](F)C(=O)[O-])c(c1)[*:1]
Cc1ccc(C(=O)N[C@H](C)C(C)(C)C)o1 CC(C)(C)[*:1] Cc1ccc(o1)C(=O)N[C@H](C)[*:1]
CCOC(=O)C1CCC([NH+](C)C2CCS(=O)(=O)CC2)CC1 CCOC(=O)[*:1] C[NH+](C1CCC(CC1)[*:1])C1CCS(=O)(=O)CC1
Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1 Cc1cc(C)cc(c1)[*:1] O=C(CNC(=O)[*:1])N[C@@H]1c2ccccc2C[C@H]1O
COC(=O)c1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)n1 c1ccc2c(c[nH]c2c1)[*:1] COC(=O)c1cccc(n1)C(=O)N1CCC(CC1)[*:1]
COC(=O)c1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)n1 COC(=O)[*:1] O=C(c1cccc(n1)[*:1])N1CCC(CC1)c1c[nH]c2ccccc12
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=NS(=O)(=O)c1ccc(F)cc1 Cc1ccc(cc1)NC(=O)[*:1] C=CCN1C(=O)[C@H](C[*:1])SC1=NS(=O)(=O)c1ccc(F)cc1
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=NS(=O)(=O)c1ccc(F)cc1 Cc1ccc(cc1)[*:1] C=CCN1C(=O)[C@H](CC(=O)N[*:1])SC1=NS(=O)(=O)c1ccc(F)cc1
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=NS(=O)(=O)c1ccc(F)cc1 C=CC[*:1] Cc1ccc(cc1)NC(=O)C[C@@H]1SC(=NS(=O)(=O)c2ccc(F)cc2)N(C1=O)[*:1]
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=NS(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=NS(=O)(=O)[*:1]
CCCCNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O FC(F)(F)[*:1] CCCCNC(=O)Nc1cc(c[nH]c1=O)[*:1]
CCCCNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O CCC[*:1] O=C(NC[*:1])Nc1cc(c[nH]c1=O)C(F)(F)F
CCCCNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O CCCC[*:1] O=C(Nc1cc(c[nH]c1=O)C(F)(F)F)N[*:1]
C[C@H](C[NH2+]Cc1cccc(C2CC2)c1)C[NH+]1CCCC1 C1CC1[*:1] C[C@H](C[NH2+]Cc1cccc(c1)[*:1])C[NH+]1CCCC1
COc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2cccc(F)c2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CN1C(=O)N(C(=O)[C@H]1CC(=O)Nc1cccc(F)c1)[*:1]
COc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)CN1C(=O)N(C(=O)[C@H]1CC(=O)N[*:1])c1ccccc1
COc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2cccc(F)c2)c1 COc1cccc(c1)[*:1] O=C(C[C@@H]1C(=O)N(C(=O)N1C[*:1])c1ccccc1)Nc1cccc(F)c1
COc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2cccc(F)c2)c1 O=C(C[*:1])Nc1cccc(F)c1 COc1cccc(c1)CN1C(=O)N(C(=O)[C@@H]1[*:1])c1ccccc1
COc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2cccc(F)c2)c1 COc1cccc(c1)C[*:1] O=C(C[C@@H]1C(=O)N(C(=O)N1[*:1])c1ccccc1)Nc1cccc(F)c1
COc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2cccc(F)c2)c1 O=C(Nc1cccc(F)c1)[*:1] COc1cccc(c1)CN1C(=O)N(C(=O)[C@H]1C[*:1])c1ccccc1
NNC(=O)[C@H]1C[C@@H]2C[C@@H]3[C@H]4[NH+]=c5ccccc5=C4CCN3C[C@H]2C[C@H]1O NNC(=O)[*:1] O[C@@H]1C[C@@H]2CN3CCC4=c5ccccc5=[NH+][C@@H]4[C@H]3C[C@H]2C[C@@H]1[*:1]
Cc1ccccc1-c1nnc(SCC(=O)NCc2ccc(F)cc2)o1 Fc1ccc(cc1)C[*:1] Cc1ccccc1-c1nnc(o1)SCC(=O)N[*:1]
Cc1ccccc1-c1nnc(SCC(=O)NCc2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] Cc1ccccc1-c1nnc(o1)SCC(=O)NC[*:1]
Cc1ccccc1-c1nnc(SCC(=O)NCc2ccc(F)cc2)o1 Cc1ccccc1[*:1] O=C(CSc1nnc(o1)[*:1])NCc1ccc(F)cc1
Cc1ccccc1Cn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O Cc1ccccc1[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc1N(CCn12)c1ccccc1
Cc1ccccc1Cn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] Cc1ccccc1Cn1c(=O)c2c(nc3N(CCn32)[*:1])n(C)c1=O
Cc1ccccc1Cn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O Cc1ccccc1C[*:1] Cn1c(=O)n(c(=O)c2c1nc1N(CCn12)c1ccccc1)[*:1]
CCc1ccc([C@@H](CO)NC(=O)c2cnc3n(c2=O)CCS3)cc1 CCc1ccc(cc1)[*:1] O=C(N[C@H](CO)[*:1])c1cnc2SCCn2c1=O
Nc1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cccnc2)c1 c1cncc(c1)[*:1] Nc1cc(Cl)c(F)c(c1)S(=O)(=O)[N-][*:1]
CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)cc1 Cc1ccc(cc1)C[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)C(=O)N[*:1]
CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)cc1 CNC(=O)C[*:1] Cc1ccc(cc1)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)cc1 CNC(=O)[*:1] Cc1ccc(cc1)CNC(=O)C(=O)Nc1ccc(cc1)C[*:1]
CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)C(=O)NC[*:1]
C#CC[C@H](OC(=O)CCn1cnc2c(C)cccc2c1=O)C1CC1 C1CC1[*:1] C#CC[C@H](OC(=O)CCn1cnc2c(C)cccc2c1=O)[*:1]
C#CC[C@H](OC(=O)CCn1cnc2c(C)cccc2c1=O)C1CC1 C#CC[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)O[C@H](C1CC1)[*:1]
CCN(C(=O)Cn1c([C@@H](C)NC(C)=O)nc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)Cn1c(nc2ccccc21)[C@@H](C)NC(C)=O)[*:1]
CCN(C(=O)Cn1c([C@@H](C)NC(C)=O)nc2ccccc21)c1ccccc1 CC(=O)N[*:1] CCN(C(=O)Cn1c(nc2ccccc21)[C@@H](C)[*:1])c1ccccc1
O=S(=O)(Cc1nc(-c2ccco2)no1)Cc1ccccc1F Fc1ccccc1[*:1] O=S(=O)(Cc1nc(no1)-c1ccco1)C[*:1]
O=S(=O)(Cc1nc(-c2ccco2)no1)Cc1ccccc1F c1coc(c1)[*:1] O=S(=O)(Cc1nc(no1)[*:1])Cc1ccccc1F
COCCCN1C(=O)N[C@H]2CS(=O)(=O)C[C@H]21 COCC[*:1] O=C1N[C@H]2CS(=O)(=O)C[C@H]2N1C[*:1]
COCCCN1C(=O)N[C@H]2CS(=O)(=O)C[C@H]21 COC[*:1] O=C1N[C@H]2CS(=O)(=O)C[C@H]2N1CC[*:1]
COCCCN1C(=O)N[C@H]2CS(=O)(=O)C[C@H]21 COCCC[*:1] O=C1N[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
COc1ccccc1NC(=O)CN1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 COc1ccccc1[*:1] C[C@@H]1CCC[C@@H](C1)[NH+]1CCN(CC1)CC(=O)N[*:1]
O=C(NCc1ccco1)c1c(NC(=O)c2nn(-c3ccccc3)ccc2=O)sc2c1CCC2 c1coc(c1)C[*:1] O=C(N[*:1])c1c(NC(=O)c2nn(ccc2=O)-c2ccccc2)sc2CCCc21
O=C(NCc1ccco1)c1c(NC(=O)c2nn(-c3ccccc3)ccc2=O)sc2c1CCC2 O=C(NCc1ccco1)[*:1] O=C(Nc1sc2CCCc2c1[*:1])c1nn(ccc1=O)-c1ccccc1
O=C(NCc1ccco1)c1c(NC(=O)c2nn(-c3ccccc3)ccc2=O)sc2c1CCC2 c1coc(c1)[*:1] O=C(NC[*:1])c1c(NC(=O)c2nn(ccc2=O)-c2ccccc2)sc2CCCc21
O=C(NCc1ccco1)c1c(NC(=O)c2nn(-c3ccccc3)ccc2=O)sc2c1CCC2 c1ccc(cc1)[*:1] O=C(NCc1ccco1)c1c(NC(=O)c2nn(ccc2=O)[*:1])sc2CCCc21
CCCn1cc(NC(=O)[C@@H](C)SCc2ccccc2)ccc1=O CCC[*:1] C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(=O)n(c1)[*:1]
CCCn1cc(NC(=O)[C@@H](C)SCc2ccccc2)ccc1=O c1ccc(cc1)[*:1] CCCn1cc(ccc1=O)NC(=O)[C@@H](C)SC[*:1]
CCCn1cc(NC(=O)[C@@H](C)SCc2ccccc2)ccc1=O c1ccc(cc1)C[*:1] CCCn1cc(ccc1=O)NC(=O)[C@@H](C)S[*:1]
Cc1cccc2sc(N(Cc3ccccn3)C(=O)CN(C)S(C)(=O)=O)nc12 CN(C[*:1])S(C)(=O)=O Cc1cccc2sc(nc12)N(Cc1ccccn1)C(=O)[*:1]
Cc1cccc2sc(N(Cc3ccccn3)C(=O)CN(C)S(C)(=O)=O)nc12 c1ccc(C[*:1])nc1 Cc1cccc2sc(nc12)N(C(=O)CN(C)S(C)(=O)=O)[*:1]
Cc1cccc2sc(N(Cc3ccccn3)C(=O)CN(C)S(C)(=O)=O)nc12 CN(S(C)(=O)=O)[*:1] Cc1cccc2sc(nc12)N(Cc1ccccn1)C(=O)C[*:1]
Cc1cccc2sc(N(Cc3ccccn3)C(=O)CN(C)S(C)(=O)=O)nc12 c1ccc(nc1)[*:1] Cc1cccc2sc(nc12)N(C[*:1])C(=O)CN(C)S(C)(=O)=O
Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)CO2 CN(C)[*:1] Cc1ccc2OC[C@H]([NH2+][C@@H](C)c3ccc(F)cc3[*:1])c2c1
CCCN1C(=O)N=C(N)[C@@H]1c1ccc(F)cc1F CCC[*:1] NC1=NC(=O)N([C@H]1c1ccc(F)cc1F)[*:1]
C[C@]1(c2c(F)cccc2F)NC(=O)N(CCn2cncn2)C1=O c1ncn(CC[*:1])n1 C[C@@]1(NC(=O)N(C1=O)[*:1])c1c(F)cccc1F
C[C@]1(c2c(F)cccc2F)NC(=O)N(CCn2cncn2)C1=O c1ncn(n1)[*:1] C[C@@]1(NC(=O)N(CC[*:1])C1=O)c1c(F)cccc1F
C[C@]1(c2c(F)cccc2F)NC(=O)N(CCn2cncn2)C1=O c1ncn(C[*:1])n1 C[C@@]1(NC(=O)N(C[*:1])C1=O)c1c(F)cccc1F
C[NH+](CCCS)Cc1ccc(F)cc1 SCC[*:1] C[NH+](Cc1ccc(F)cc1)C[*:1]
Cc1c(C(=O)NC(C)C)sc2nc(-c3ccccc3)cn12 CC(C)NC(=O)[*:1] Cc1c(sc2nc(cn12)-c1ccccc1)[*:1]
Cc1c(C(=O)NC(C)C)sc2nc(-c3ccccc3)cn12 c1ccc(cc1)[*:1] Cc1c(sc2nc(cn12)[*:1])C(=O)NC(C)C
Cc1c(C(=O)NC(C)C)sc2nc(-c3ccccc3)cn12 CC(C)[*:1] Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)N[*:1]
CC(C)[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1C1CCCCC1 CC(C)[*:1] O=C1[C@H](N(C(=O)[C@H]2CCCN12)C1CCCCC1)[*:1]
CC(C)[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1C1CCCCC1 C1CCC(CC1)[*:1] CC(C)[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1[*:1]
NNC(=O)c1ccccc1N1CCOCC1 NNC(=O)[*:1] c1ccc(c(c1)N1CCOCC1)[*:1]
[NH3+][C@H](CC[C@@H]1CCOC2(CCCCC2)C1)c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@H](CC[C@@H]1CCOC2(CCCCC2)C1)[*:1]
COc1cccc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 COc1cccc(c1)[*:1] O=S(=O)(NC[*:1])c1ccc(Cl)c(c1)C(F)(F)F
COc1cccc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 FC(F)(F)[*:1] COc1cccc(c1)CNS(=O)(=O)c1ccc(Cl)c(c1)[*:1]
COC(=O)[C@@](C)(NC(=O)c1ccc(OC)c(OC)c1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@](C)(NC(=O)c1ccc(OC)c(c1)OC)[*:1]
COC(=O)[C@@](C)(NC(=O)c1ccc(OC)c(OC)c1)c1ccccc1 COC(=O)[*:1] COc1ccc(cc1OC)C(=O)N[C@](C)(c1ccccc1)[*:1]
CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 O=C([O-])[*:1] CS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(F)c(c1)[*:1]
CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 CS(=O)(=O)[*:1] O=C([O-])c1cc(ccc1F)S(=O)(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](NC(=O)[C@H](C)c1ccccc1F)c1nc(C)n[nH]1 Fc1ccccc1[*:1] CC[C@@H](NC(=O)[C@H](C)[*:1])c1nc(C)n[nH]1
CC[C@@H](NC(=O)[C@H](C)c1ccccc1F)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@@H](NC(=O)[C@H](C)c1ccccc1F)[*:1]
CCCN1CCO[C@@H]([C@H](O)CCCS(C)(=O)=O)C1 CS(=O)(=O)C[*:1] CCCN1CCO[C@H](C1)[C@H](O)CC[*:1]
CCCN1CCO[C@@H]([C@H](O)CCCS(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCCN1CCO[C@H](C1)[C@H](O)CCC[*:1]
CCCN1CCO[C@@H]([C@H](O)CCCS(C)(=O)=O)C1 CS(=O)(=O)CC[*:1] CCCN1CCO[C@H](C1)[C@H](O)C[*:1]
CCCN1CCO[C@@H]([C@H](O)CCCS(C)(=O)=O)C1 CCC[*:1] CS(=O)(=O)CCC[C@@H](O)[C@H]1CN(CCO1)[*:1]
C[C@H](C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1)c1cccnc1 Clc1cccc(c1)[*:1] C[C@H](C(=O)N1CC[C@H](C1)O[*:1])c1cccnc1
C[C@H](C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](C(=O)N1CC[C@H](C1)Oc1cccc(Cl)c1)[*:1]
CC(C)N1CCO[C@@H](C(=O)Cc2ccc(Cl)cc2)C1 CC(C)[*:1] O=C(Cc1ccc(Cl)cc1)[C@H]1CN(CCO1)[*:1]
Cc1cc(C)cc(OCCNC(=O)Nc2ccc3c(c2)COC3)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCO[*:1])Nc1ccc2COCc2c1
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(CC(C)C)c1 CC(C)[*:1] Cc1cc(ccc1C(=O)Nc1cnn(c1)C[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(CC(C)C)c1 CC(C)C[*:1] Cc1cc(ccc1C(=O)Nc1cnn(c1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(CC(C)C)c1 O=[N+]([O-])[*:1] Cc1cc(ccc1C(=O)Nc1cnn(c1)CC(C)C)[*:1]
C=CCn1c(C)nnc1S[C@@H](C)C(=O)N1C[C@@H](C)C[C@@H](C)C1 C=CC[*:1] Cc1nnc(S[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)n1[*:1]
C[C@@H](O)C[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1 C[C@@H](O)[*:1] O=C(Cc1cccc(F)c1)N1CCCC[C@H]1C[*:1]
C[C@@H](O)C[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1 C[C@@H](O)C[*:1] O=C(Cc1cccc(F)c1)N1CCCC[C@H]1[*:1]
CC1CCC([NH+](Cc2nc(N)nc(N(C)C)n2)C2CC2)CC1 CC1CCC(CC1)[*:1] CN(C)c1nc(N)nc(C[NH+](C2CC2)[*:1])n1
CC1CCC([NH+](Cc2nc(N)nc(N(C)C)n2)C2CC2)CC1 CN(C)[*:1] CC1CCC(CC1)[NH+](Cc1nc(N)nc(n1)[*:1])C1CC1
CC1CCC([NH+](Cc2nc(N)nc(N(C)C)n2)C2CC2)CC1 C1CC1[*:1] CC1CCC(CC1)[NH+](Cc1nc(N)nc(n1)N(C)C)[*:1]
C[C@H](CNC(=O)NNc1ccc(Cl)cc1Cl)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)NNc1ccc(Cl)cc1Cl)[*:1]
Cc1cc(C(=O)N[C@@H](C)C(N)=O)sc1C#CCN C[C@@H](C(N)=O)[*:1] Cc1cc(sc1C#CCN)C(=O)N[*:1]
Cc1cc(C(=O)N[C@@H](C)C(N)=O)sc1C#CCN NC(=O)[*:1] Cc1cc(sc1C#CCN)C(=O)N[C@@H](C)[*:1]
Cc1cc(C(=O)N[C@@H](C)C(N)=O)sc1C#CCN NCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N[C@@H](C)C(N)=O
CCCOC(=O)c1ccc(N[C@@H]2CC[C@H]([NH3+])C2)cc1 CCCOC(=O)[*:1] [NH3+][C@H]1CC[C@H](C1)Nc1ccc(cc1)[*:1]
CCCOC(=O)c1ccc(N[C@@H]2CC[C@H]([NH3+])C2)cc1 CCC[*:1] [NH3+][C@H]1CC[C@H](C1)Nc1ccc(cc1)C(=O)O[*:1]
CC[C@@H]1CN(CC2(CC(C)C)CCCC2)[C@H](CC)C[NH2+]1 CC(C)C[*:1] CC[C@@H]1CN(CC2(CCCC2)[*:1])[C@H](CC)C[NH2+]1
CC[C@@H]1CN(CC2(CC(C)C)CCCC2)[C@H](CC)C[NH2+]1 CC(C)[*:1] CC[C@@H]1CN(CC2(CCCC2)C[*:1])[C@H](CC)C[NH2+]1
C[C@@H](O)CN(C)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] C[C@@H](O)CN(C)C(=O)N[C@@H](c1ccc2OCCOc2c1)[*:1]
C[C@@H](O)CN(C)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 C[C@@H](O)[*:1] CN(C[*:1])C(=O)N[C@@H](c1ccc2OCCOc2c1)C1CC1
C[C@@H](O)CN(C)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 C[C@@H](O)C[*:1] CN(C(=O)N[C@@H](c1ccc2OCCOc2c1)C1CC1)[*:1]
Cc1cc(C)cc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C(C)C)c1 CC(C)[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nc2c(oc3ccccc32)c(=O)n1[*:1]
Cc1cc(C)cc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C(C)C)c1 Cc1cc(C)cc(c1)[*:1] CC(C)n1c(nc2c(oc3ccccc32)c1=O)SCC(=O)N[*:1]
NC(=O)CN(C(=O)N[C@@H]1CCOC1)[C@@H]1CCC[NH2+]C1 C1C[C@H](CO1)[*:1] NC(=O)CN(C(=O)N[*:1])[C@@H]1CCC[NH2+]C1
NC(=O)CN(C(=O)N[C@@H]1CCOC1)[C@@H]1CCC[NH2+]C1 NC(=O)[*:1] O=C(N[C@@H]1CCOC1)N(C[*:1])[C@@H]1CCC[NH2+]C1
NC(=O)CN(C(=O)N[C@@H]1CCOC1)[C@@H]1CCC[NH2+]C1 NC(=O)C[*:1] O=C(N[C@@H]1CCOC1)N([C@@H]1CCC[NH2+]C1)[*:1]
O=C(/C=C/c1cccs1)NNC(=O)Cc1ccc2ccccc2c1 c1csc(c1)[*:1] O=C(C=C[*:1])NNC(=O)Cc1ccc2ccccc2c1
O=C(/C=C/c1cccs1)NNC(=O)Cc1ccc2ccccc2c1 C(=C[*:1])c1cccs1 O=C(Cc1ccc2ccccc2c1)NNC(=O)[*:1]
Cc1occc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 Cc1occc1[*:1] O=C1CC[C@H]2CN(CC[C@H]2N1CCc1c[nH]c[nH+]1)C(=O)[*:1]
COCCNC(=O)CCc1nc2ccccc2[nH]c1=O COCC[*:1] O=C(CCc1nc2ccccc2[nH]c1=O)N[*:1]
COCCNC(=O)CCc1nc2ccccc2[nH]c1=O COC[*:1] O=C(CCc1nc2ccccc2[nH]c1=O)NC[*:1]
CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@](O)(C(F)(F)F)C1 CC(C)(C)[*:1] O=C(NCCS(=O)(=O)[*:1])N1CC[C@@](O)(C1)C(F)(F)F
CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@](O)(C(F)(F)F)C1 CC(C)(C)S(=O)(=O)[*:1] O=C(NCC[*:1])N1CC[C@@](O)(C1)C(F)(F)F
CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@](O)(C1)[*:1]
CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(SC)ns1 Clc1ccccc1[*:1] CC[C@@H](O[*:1])C(=O)Nc1nc(ns1)SC
CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(SC)ns1 CSc1nsc(n1)[*:1] CC[C@@H](Oc1ccccc1Cl)C(=O)N[*:1]
O=C(Cc1cccc(F)c1F)N[C@H]1CCN(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] O=C(Cc1cccc(F)c1F)N[C@H]1CCN(C1=O)[*:1]
O=C(Cc1cccc(F)c1F)N[C@H]1CCN(c2ccccc2Cl)C1=O Fc1cccc(c1F)[*:1] O=C(C[*:1])N[C@H]1CCN(C1=O)c1ccccc1Cl
Cc1cc(C)cc(N2CCC(C(=O)[C@@H](C#N)c3nc(C)cs3)=C2[O-])c1 Cc1csc(n1)[*:1] Cc1cc(C)cc(c1)N1CCC(C(=O)[C@@H](C#N)[*:1])=C1[O-]
Cc1cc(C)cc(N2CCC(C(=O)[C@@H](C#N)c3nc(C)cs3)=C2[O-])c1 Cc1cc(C)cc(c1)[*:1] Cc1csc(n1)[C@H](C#N)C(=O)C1CCN(C=1[O-])[*:1]
Cc1ccc(N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)[O-])C2)[nH+]c1 O=C([O-])[*:1] Cc1ccc([nH+]c1)N1CC[C@@H]([C@H](CC[*:1])C1)N1CCOCC1
Cc1ccc(N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)[O-])C2)[nH+]c1 O=C([O-])CC[*:1] Cc1ccc([nH+]c1)N1CC[C@@H]([C@H](C1)[*:1])N1CCOCC1
Cc1ccc(N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)[O-])C2)[nH+]c1 C1CN(CCO1)[*:1] Cc1ccc([nH+]c1)N1CC[C@H]([C@H](CCC(=O)[O-])C1)[*:1]
Cc1ccc(N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)[O-])C2)[nH+]c1 O=C([O-])C[*:1] Cc1ccc([nH+]c1)N1CC[C@@H]([C@@H](C1)C[*:1])N1CCOCC1
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C[NH3+] CC(C)[*:1] [NH3+]Cc1c(noc1[*:1])-c1c(Cl)cccc1Cl
Cc1ccc(-c2csc(C=C(C#N)C#N)c2)cc1 N#CC(C#N)=C[*:1] Cc1ccc(cc1)-c1csc(c1)[*:1]
CC1(C)CC(=O)c2cc(C(=O)NCCCn3cccn3)c(=O)[nH]c2C1 c1cnn(c1)CC[*:1] CC1(C)CC(=O)c2cc(C(=O)NC[*:1])c(=O)[nH]c2C1
CC1(C)CC(=O)c2cc(C(=O)NCCCn3cccn3)c(=O)[nH]c2C1 c1cnn(c1)CCC[*:1] CC1(C)CC(=O)c2cc(C(=O)N[*:1])c(=O)[nH]c2C1
CC1(C)CC(=O)c2cc(C(=O)NCCCn3cccn3)c(=O)[nH]c2C1 c1cnn(c1)C[*:1] CC1(C)CC(=O)c2cc(C(=O)NCC[*:1])c(=O)[nH]c2C1
CC1(C)CC(=O)c2cc(C(=O)NCCCn3cccn3)c(=O)[nH]c2C1 c1cnn(c1)[*:1] CC1(C)CC(=O)c2cc(C(=O)NCCC[*:1])c(=O)[nH]c2C1
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2ccc3O[C@H](C)Cc3c2)=C([O-])C(=O)N1C[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2Cc2ccccc2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2ccc3O[C@H](C)Cc3c2)=C([O-])C(=O)N1[*:1]
CC[C@@H]1CCCCN1CC[NH3+] [NH3+]CC[*:1] CC[C@@H]1CCCCN1[*:1]
O=C([C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCCC1 c1ccc(cc1)CC[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)C[*:1])N1CCCC1
O=C([C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(CCCc1ccccc1)N1CCC[C@H](C1)[*:1]
O=C([C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCCC1 c1ccc(cc1)C[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)CC[*:1])N1CCCC1
O=C([C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCCC1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)CCC[*:1])N1CCCC1
O=C([C@@H]1CCCc2ccccc21)N(CCC(F)(F)F)CC1CC1 FC(F)(F)[*:1] O=C([C@@H]1CCCc2ccccc21)N(CC[*:1])CC1CC1
O=C([C@@H]1CCCc2ccccc21)N(CCC(F)(F)F)CC1CC1 C1CC1[*:1] O=C([C@@H]1CCCc2ccccc21)N(CCC(F)(F)F)C[*:1]
O=C([C@@H]1CCCc2ccccc21)N(CCC(F)(F)F)CC1CC1 FC(F)(F)C[*:1] O=C([C@@H]1CCCc2ccccc21)N(CC1CC1)C[*:1]
O=C([C@@H]1CCCc2ccccc21)N(CCC(F)(F)F)CC1CC1 FC(F)(F)CC[*:1] O=C([C@@H]1CCCc2ccccc21)N(CC1CC1)[*:1]
O=C([C@@H]1CCCc2ccccc21)N(CCC(F)(F)F)CC1CC1 C1CC1C[*:1] O=C([C@@H]1CCCc2ccccc21)N(CCC(F)(F)F)[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OC)cc1 CC[C@H](C)[*:1] COc1ccc(cc1)NC(=O)[C@@H](NC(=O)c1ccccc1)[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OC)cc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)[*:1])C(=O)Nc1ccc(cc1)OC
Cc1noc(-c2ccc(C(=O)N3CCCCC[C@@H]3c3cccn3C)cc2)n1 Cc1noc(n1)[*:1] Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(cc1)[*:1]
Cc1noc(-c2ccc(C(=O)N3CCCCC[C@@H]3c3cccn3C)cc2)n1 Cn1cccc1[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)N1CCCCC[C@H]1[*:1]
CCOc1ccc(-c2[nH+]ccn2CCc2ccncc2)cc1CO CCO[*:1] OCc1cc(ccc1[*:1])-c1[nH+]ccn1CCc1ccncc1
CCOc1ccc(-c2[nH+]ccn2CCc2ccncc2)cc1CO c1cc(ccn1)CC[*:1] CCOc1ccc(cc1CO)-c1[nH+]ccn1[*:1]
CCOc1ccc(-c2[nH+]ccn2CCc2ccncc2)cc1CO c1cc(ccn1)C[*:1] CCOc1ccc(cc1CO)-c1[nH+]ccn1C[*:1]
CCOc1ccc(-c2[nH+]ccn2CCc2ccncc2)cc1CO c1cc(ccn1)[*:1] CCOc1ccc(cc1CO)-c1[nH+]ccn1CC[*:1]
O=C(CCc1c[nH]c2ccccc12)Oc1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 O=C(CCc1c[nH]c2ccccc12)Oc1cccc(c1)[*:1]
O=C(CCc1c[nH]c2ccccc12)Oc1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] O=C(CCc1c[nH]c2ccccc12)Oc1cccc(c1)NC(=O)[*:1]
O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 Clc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)[*:1])N1CCCCC1
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCC(F)(F)F)C2)c1 FC(F)(F)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)OC[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCC(F)(F)F)C2)c1 Cc1cccc(c1)[*:1] O=C(OCC(F)(F)F)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCC(F)(F)F)C2)c1 FC(F)(F)C[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)O[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCC(F)(F)F)C2)c1 O=C(OCC(F)(F)F)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@H](C1)[*:1]
COCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O COCC(=O)O[*:1] O=C1/C(=C/c2ccc3OCOc3c2)Oc2cc(ccc21)[*:1]
COCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O COC[*:1] O=C1/C(=C/c2ccc3OCOc3c2)Oc2cc(ccc21)OC(=O)[*:1]
CCc1nn(C)cc1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 c1nnnn1[*:1] CCc1nn(C)cc1C(=O)N1CCN(CC1)C(=O)C[*:1]
CCc1nn(C)cc1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 CCc1nn(C)cc1[*:1] O=C(Cn1cnnn1)N1CCN(CC1)C(=O)[*:1]
CCc1nn(C)cc1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 c1nnnn1C[*:1] CCc1nn(C)cc1C(=O)N1CCN(CC1)C(=O)[*:1]
CCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2C1 O=S(=O)(N1CCCCCC1)[*:1] CCN1CCc2nc(NC(=O)c3ccc(cc3)[*:1])sc2C1
O=C(O/N=C\c1ccc2c(c1)OCO2)c1ccco1 c1coc(c1)[*:1] O=C(O/N=C\c1ccc2OCOc2c1)[*:1]
N#CC(C#N)=C(N)[C@@]1(C#N)[C@H](c2cccc(Br)c2)C1(C#N)C#N Brc1cccc(c1)[*:1] N#CC(C#N)=C(N)[C@@]1(C#N)[C@H](C1(C#N)C#N)[*:1]
N#CC(C#N)=C(N)[C@@]1(C#N)[C@H](c2cccc(Br)c2)C1(C#N)C#N N#CC(C#N)=C(N)[*:1] N#CC1(C#N)[C@@H](c2cccc(Br)c2)[C@@]1(C#N)[*:1]
C[C@@H]1CN(Cc2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]1 O=[N+]([O-])[*:1] C[C@@H]1CN(CC[NH2+]1)Cc1cc(Br)ccc1[*:1]
Cc1nc(C2CC[NH+](Cc3cc(O)ccc3Br)CC2)no1 Cc1nc(no1)[*:1] Oc1ccc(Br)c(c1)C[NH+]1CCC(CC1)[*:1]
CCSc1cncc(N(C)[C@@H](C)c2ccncc2)n1 CCS[*:1] C[C@@H](c1ccncc1)N(C)c1cncc(n1)[*:1]
CCSc1cncc(N(C)[C@@H](C)c2ccncc2)n1 c1cc(ccn1)[*:1] CCSc1cncc(n1)N(C)[C@@H](C)[*:1]
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(F)cc3F)sc2c1 Fc1ccc(c(F)c1)[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)[*:1])sc2c1
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(F)cc3F)sc2c1 CS(=O)(=O)[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1ccc(F)cc1F
COc1ccc(-c2noc(CN[C@@H](C3CCCC3)C(F)(F)F)n2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1noc(CN[C@@H](C2CCCC2)[*:1])n1
COc1ccc(-c2noc(CN[C@@H](C3CCCC3)C(F)(F)F)n2)cc1 COc1ccc(cc1)[*:1] FC(F)(F)[C@@H](NCc1nc(no1)[*:1])C1CCCC1
COc1ccc(-c2noc(CN[C@@H](C3CCCC3)C(F)(F)F)n2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)-c1noc(CN[C@@H](C(F)(F)F)[*:1])n1
O=C(NNc1ccccc1Cl)Nc1ccccc1-n1cccn1 Clc1ccccc1[*:1] O=C(NN[*:1])Nc1ccccc1-n1cccn1
O=C(NNc1ccccc1Cl)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] O=C(NNc1ccccc1Cl)Nc1ccccc1[*:1]
CCCCn1c(N)c(N(C)C(=O)c2ccc3c(c2)OCO3)c(=O)[nH]c1=O CCC[*:1] CN(C(=O)c1ccc2OCOc2c1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCCCn1c(N)c(N(C)C(=O)c2ccc3c(c2)OCO3)c(=O)[nH]c1=O CCCC[*:1] CN(C(=O)c1ccc2OCOc2c1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
O=C1CCCN1c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)NCC[*:1]
O=C1CCCN1c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)NC[*:1]
O=C1CCCN1c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 O=C1CCCN1[*:1] O=S(=O)(NCC[C@H]1CCCO1)c1ccc(cc1)[*:1]
CC1(C)[C@@H](NC(=O)c2cnccn2)[C@H]2CCO[C@@H]21 c1cnc(cn1)[*:1] CC1(C)[C@@H](NC(=O)[*:1])[C@H]2CCO[C@@H]21
Cc1ccccc1C[NH+](C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl Cc1ccccc1C[*:1] CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH+](C)[*:1]
Cc1ccccc1C[NH+](C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] Cc1ccccc1C[NH+](C)CC(=O)N(C)CC(=O)N[*:1]
Cc1ccccc1C[NH+](C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl Cc1ccccc1[*:1] CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH+](C)C[*:1]
Cc1ccc(CC(=O)N2CCN(Cc3ncccc3C)CC2)cc1 Cc1cccnc1[*:1] Cc1ccc(cc1)CC(=O)N1CCN(CC1)C[*:1]
Cc1ccc(CC(=O)N2CCN(Cc3ncccc3C)CC2)cc1 Cc1cccnc1C[*:1] Cc1ccc(cc1)CC(=O)N1CCN(CC1)[*:1]
Cc1ccc(CC(=O)N2CCN(Cc3ncccc3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cccnc1CN1CCN(CC1)C(=O)C[*:1]
Cc1ccc(CC(=O)N2CCN(Cc3ncccc3C)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1cccnc1CN1CCN(CC1)C(=O)[*:1]
COc1ccc(-c2cc(C(=O)NC[C@@H]3CCOC3)c3ccccc3n2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCOC1)c1cc(nc2ccccc12)[*:1]
COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)c1ccc(cc1Cl)[*:1]
Cc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3nnc4ccccn34)n2)cc1 c1ccn2c(nnc2c1)[*:1] Cc1ccc(cc1)-c1noc(CCC(=O)N2CCC[C@@H]2[*:1])n1
Cc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3nnc4ccccn34)n2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])N1CCC[C@H]1c1nnc2ccccn12
c1ccc(-c2nnc3sc(COc4cccc5ccccc45)nn23)nc1 c1ccc(nc1)[*:1] c1ccc2c(cccc2c1)OCc1nn2c(nnc2s1)[*:1]
CO[C@H](C)C(=O)Nc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CO[C@H](C)C(=O)Nc1cccc(C(=O)N(C)C)c1 CO[C@H](C)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)[*:1]
COc1ccc([C@H](O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1F Clc1ccc(cc1)[*:1] COc1ccc(cc1F)[C@H](O)CSc1nc(n[nH]1)[*:1]
N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccncc1)Nc1ccccc12 c1cc(ccn1)[*:1] N#CC1=C(N)N2C(Nc3ccccc32)=C(C#N)[C@@H]1[*:1]
CC(=O)N(C)c1cccc(NC(=O)N(CC2CC2)[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N(CC1CC1)[C@@H](C)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N(CC2CC2)[C@@H](C)c2ccccc2)c1 CC(=O)N(C)[*:1] C[C@@H](c1ccccc1)N(CC1CC1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N(CC2CC2)[C@@H](C)c2ccccc2)c1 C[C@@H](c1ccccc1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N(CC1CC1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N(CC2CC2)[C@@H](C)c2ccccc2)c1 C1CC1[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N(C[*:1])[C@@H](C)c1ccccc1
CC(=O)N(C)c1cccc(NC(=O)N(CC2CC2)[C@@H](C)c2ccccc2)c1 C1CC1C[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N([C@@H](C)c1ccccc1)[*:1]
CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccccc2Br)nc1[O-] O=C(Nc1ccccc1Br)[*:1] CC(=O)Nc1c(C)cccc1-c1nnc(nc1[O-])SC[*:1]
CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccccc2Br)nc1[O-] CC(=O)N[*:1] Cc1cccc(-c2nnc(nc2[O-])SCC(=O)Nc2ccccc2Br)c1[*:1]
CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccccc2Br)nc1[O-] Brc1ccccc1[*:1] CC(=O)Nc1c(C)cccc1-c1nnc(nc1[O-])SCC(=O)N[*:1]
C[NH2+][C@@H]1CCC2(C[C@@H]1SC[C@H](O)CO)OCCO2 OC[C@@H](O)[*:1] C[NH2+][C@@H]1CCC2(C[C@@H]1SC[*:1])OCCO2
C[NH2+][C@@H]1CCC2(C[C@@H]1SC[C@H](O)CO)OCCO2 OC[C@@H](O)CS[*:1] C[NH2+][C@@H]1CCC2(C[C@H]1[*:1])OCCO2
C[NH2+][C@@H]1CCC2(C[C@@H]1SC[C@H](O)CO)OCCO2 OC[C@@H](O)C[*:1] C[NH2+][C@@H]1CCC2(C[C@@H]1S[*:1])OCCO2
C[C@@H]1Cc2ccc(-c3cc(CNC(=O)CSc4ncccn4)no3)cc2O1 c1cnc(nc1)S[*:1] C[C@@H]1Cc2ccc(cc2O1)-c1cc(CNC(=O)C[*:1])no1
C[C@@H]1Cc2ccc(-c3cc(CNC(=O)CSc4ncccn4)no3)cc2O1 c1cnc(nc1)[*:1] C[C@@H]1Cc2ccc(cc2O1)-c1cc(CNC(=O)CS[*:1])no1
C[C@@H]1Cc2ccc(-c3cc(CNC(=O)CSc4ncccn4)no3)cc2O1 c1cnc(nc1)SC[*:1] C[C@@H]1Cc2ccc(cc2O1)-c1cc(CNC(=O)[*:1])no1
CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)[*:1]
CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)C(=O)[O-] CC(C)[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@@H]1CN(CCN1C(=O)O[*:1])c1ccc(c(Br)c1)[N+](=O)[O-]
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1C(=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1CCN(C[C@H]1C(=O)[O-])c1ccc(c(Br)c1)[*:1]
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCN(C[C@@H]1[*:1])c1ccc(c(Br)c1)[N+](=O)[O-]
Cc1nc(C2(NC(=O)c3ccccc3OC(F)F)CCCC2)no1 FC(F)O[*:1] Cc1nc(no1)C1(CCCC1)NC(=O)c1ccccc1[*:1]
Cc1nc(C2(NC(=O)c3ccccc3OC(F)F)CCCC2)no1 FC(F)[*:1] Cc1nc(no1)C1(CCCC1)NC(=O)c1ccccc1O[*:1]
Cc1nc(C2(NC(=O)c3ccccc3OC(F)F)CCCC2)no1 Cc1nc(no1)[*:1] O=C(NC1(CCCC1)[*:1])c1ccccc1OC(F)F
Cn1cc(NC(=O)c2ccccc2COc2ccc(F)cc2F)c(C(N)=O)n1 NC(=O)[*:1] Cn1cc(NC(=O)c2ccccc2COc2ccc(F)cc2F)c(n1)[*:1]
Cn1cc(NC(=O)c2ccccc2COc2ccc(F)cc2F)c(C(N)=O)n1 Cn1cc(c(n1)C(N)=O)[*:1] O=C(N[*:1])c1ccccc1COc1ccc(F)cc1F
Cn1cc(NC(=O)c2ccccc2COc2ccc(F)cc2F)c(C(N)=O)n1 Fc1ccc(c(F)c1)[*:1] Cn1cc(NC(=O)c2ccccc2CO[*:1])c(n1)C(N)=O
Cn1cc(NC(=O)c2ccccc2COc2ccc(F)cc2F)c(C(N)=O)n1 Fc1ccc(O[*:1])c(F)c1 Cn1cc(NC(=O)c2ccccc2C[*:1])c(n1)C(N)=O
COc1cc(/C=N/n2cnnc2)c(Br)cc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1cc(/C=N/n2cnnc2)c(Br)cc1OC[*:1]
COc1cc(/C=N/n2cnnc2)c(Br)cc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COc1cc(/C=N/n2cnnc2)c(Br)cc1O[*:1]
NC(=O)[C@@H]1CCCN1C(=O)c1cnc2ccccc2n1 NC(=O)[*:1] O=C(c1cnc2ccccc2n1)N1CCC[C@H]1[*:1]
CC(C)c1nncn1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CC(C)c1nncn1CCNC(=O)c1cc(ccc1Cl)[*:1]
CC(C)c1nncn1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl CC(C)[*:1] O=C(NCCn1cnnc1[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
CC1(C[NH2+]Cc2cnc(-c3cccnc3)s2)CCCC1 c1cncc(c1)[*:1] CC1(CCCC1)C[NH2+]Cc1cnc(s1)[*:1]
CC1(C[NH2+]Cc2cnc(-c3cccnc3)s2)CCCC1 CC1(CCCC1)[*:1] c1cncc(c1)-c1ncc(C[NH2+]C[*:1])s1
CCc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)C(=O)N[C@H]1CC[C@H](C1)SC
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 Clc1ccc(cc1Cl)[*:1] CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)CNC(=O)[*:1])C1
CCN(Cc1ccccn1)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C c1ccc(C[*:1])nc1 CCN(C(=O)N[C@@H](C)c1cc(OC)c(cc1C)OC)[*:1]
CCN(Cc1ccccn1)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)N[C@@H](C)c1cc(OC)c(cc1C)OC
COc1ccccc1Cc1cc(C)[nH+]c(C2CCN(C(=O)Cc3nonc3C)CC2)c1 COc1ccccc1C[*:1] Cc1cc(cc([nH+]1)C1CCN(CC1)C(=O)Cc1nonc1C)[*:1]
COc1ccccc1Cc1cc(C)[nH+]c(C2CCN(C(=O)Cc3nonc3C)CC2)c1 Cc1nonc1[*:1] COc1ccccc1Cc1cc(C)[nH+]c(c1)C1CCN(CC1)C(=O)C[*:1]
COc1ccccc1Cc1cc(C)[nH+]c(C2CCN(C(=O)Cc3nonc3C)CC2)c1 COc1ccccc1[*:1] Cc1cc(cc([nH+]1)C1CCN(CC1)C(=O)Cc1nonc1C)C[*:1]
COc1ccccc1Cc1cc(C)[nH+]c(C2CCN(C(=O)Cc3nonc3C)CC2)c1 Cc1nonc1C[*:1] COc1ccccc1Cc1cc(C)[nH+]c(c1)C1CCN(CC1)C(=O)[*:1]
CCNC(=O)CNC(=O)[C@H]1CCCCC[C@@H]1[NH3+] CCNC(=O)[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)NC[*:1]
CSC[C@H](NC(=O)NCCc1ccncc1)c1ccccc1 c1ccc(cc1)[*:1] CSC[C@H](NC(=O)NCCc1ccncc1)[*:1]
CSC[C@H](NC(=O)NCCc1ccncc1)c1ccccc1 c1cc(ccn1)[*:1] CSC[C@H](NC(=O)NCC[*:1])c1ccccc1
CSC[C@H](NC(=O)NCCc1ccncc1)c1ccccc1 c1cc(ccn1)C[*:1] CSC[C@H](NC(=O)NC[*:1])c1ccccc1
CSC[C@H](NC(=O)NCCc1ccncc1)c1ccccc1 CSC[*:1] O=C(NCCc1ccncc1)N[C@H](c1ccccc1)[*:1]
O=C([O-])CCC1CCC(O)CC1 O=C([O-])[*:1] OC1CCC(CC1)CC[*:1]
O=C([O-])CCC1CCC(O)CC1 O=C([O-])C[*:1] OC1CCC(CC1)C[*:1]
O=C([O-])c1ccccc1NCCCO OCC[*:1] O=C([O-])c1ccccc1NC[*:1]
O=C([O-])c1ccccc1NCCCO O=C([O-])[*:1] OCCCNc1ccccc1[*:1]
O=C([O-])c1ccccc1NCCCO OCCC[*:1] O=C([O-])c1ccccc1N[*:1]
CC[C@@](C)(CNC(=O)Cn1ccc(=O)[nH]c1=O)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)(CNC(=O)Cn1ccc(=O)[nH]c1=O)[*:1]
C=C(C)CC(=O)[C@@H]1CN(C(C)C)CCO1 C=C(C)[*:1] CC(C)N1CCO[C@@H](C1)C(=O)C[*:1]
C=C(C)CC(=O)[C@@H]1CN(C(C)C)CCO1 C=C(C)C[*:1] CC(C)N1CCO[C@@H](C1)C(=O)[*:1]
C=C(C)CC(=O)[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] C=C(C)CC(=O)[C@@H]1CN(CCO1)[*:1]
CCCn1cc(NC(=O)c2cccc(-c3nnc(C)o3)c2)cn1 Cc1nnc(o1)[*:1] CCCn1cc(cn1)NC(=O)c1cccc(c1)[*:1]
CCCn1cc(NC(=O)c2cccc(-c3nnc(C)o3)c2)cn1 CCC[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)Nc1cnn(c1)[*:1]
CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)N2CC[NH+](C)CC2)cc1 CC(=O)N[*:1] Cc1ccc(cc1)-c1c(C)nn(-c2ccc(cc2)C(=O)N2CC[NH+](C)CC2)c1[*:1]
CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)N2CC[NH+](C)CC2)cc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1c(c(C)nn1-c1ccc(cc1)C(=O)N1CC[NH+](C)CC1)[*:1]
CC(C)[NH2+]Cc1cccc(S[C@@H](C)[C@@H](C)O)c1 CC(C)[*:1] C[C@H](Sc1cccc(c1)C[NH2+][*:1])[C@@H](C)O
CC(C)[NH2+]Cc1cccc(S[C@@H](C)[C@@H](C)O)c1 C[C@@H]([C@@H](C)O)[*:1] CC(C)[NH2+]Cc1cccc(c1)S[*:1]
CC(C)[NH2+]Cc1cccc(S[C@@H](C)[C@@H](C)O)c1 C[C@@H](O)[*:1] CC(C)[NH2+]Cc1cccc(c1)S[C@@H](C)[*:1]
CC(C)[NH2+]Cc1cccc(S[C@@H](C)[C@@H](C)O)c1 CC(C)[NH2+]C[*:1] C[C@H](Sc1cccc(c1)[*:1])[C@@H](C)O
Cc1nccn1-c1cncc(NCCCS(=O)(=O)c2ccccc2)n1 Cc1nccn1[*:1] O=S(=O)(CCCNc1cncc(n1)[*:1])c1ccccc1
Cc1nccn1-c1cncc(NCCCS(=O)(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nccn1-c1cncc(n1)NCCCS(=O)(=O)[*:1]
CCc1cnc([C@H](C)NC(=O)Nc2cc(Cl)ccc2N(C)C)s1 CN(C)[*:1] CCc1cnc(s1)[C@H](C)NC(=O)Nc1cc(Cl)ccc1[*:1]
CCc1cnc([C@H](C)NC(=O)Nc2cc(Cl)ccc2N(C)C)s1 CCc1cnc(s1)[*:1] C[C@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)[*:1]
CCCCC1CCC(NC(=O)c2cnn(-c3ccc([O-])nn3)c2C)CC1 [O-]c1ccc(nn1)[*:1] CCCCC1CCC(CC1)NC(=O)c1cnn(c1C)[*:1]
CCCCC1CCC(NC(=O)c2cnn(-c3ccc([O-])nn3)c2C)CC1 CCCC[*:1] Cc1c(cnn1-c1ccc([O-])nn1)C(=O)NC1CCC(CC1)[*:1]
CCCCC1CCC(NC(=O)c2cnn(-c3ccc([O-])nn3)c2C)CC1 CCC[*:1] Cc1c(cnn1-c1ccc([O-])nn1)C(=O)NC1CCC(CC1)C[*:1]
CCC[NH2+][C@]1(C(=O)[O-])CC[C@@H](OC(C)(C)C)C1 O=C([O-])[*:1] CCC[NH2+][C@@]1(CC[C@H](C1)OC(C)(C)C)[*:1]
CCC[NH2+][C@]1(C(=O)[O-])CC[C@@H](OC(C)(C)C)C1 CC(C)(C)[*:1] CCC[NH2+][C@@]1(CC[C@H](C1)O[*:1])C(=O)[O-]
CCC[NH2+][C@]1(C(=O)[O-])CC[C@@H](OC(C)(C)C)C1 CC(C)(C)O[*:1] CCC[NH2+][C@@]1(CC[C@@H](C1)[*:1])C(=O)[O-]
CCC[NH2+][C@]1(C(=O)[O-])CC[C@@H](OC(C)(C)C)C1 CCC[*:1] CC(C)(C)O[C@@H]1CC[C@](C1)([NH2+][*:1])C(=O)[O-]
CC/[NH+]=C(\NCc1ccc(Cl)nc1)NC[C@@H]1Cc2ccccc2O1 Clc1ccc(cn1)C[*:1] CC/[NH+]=C(/NC[C@@H]1Cc2ccccc2O1)N[*:1]
CC/[NH+]=C(\NCc1ccc(Cl)nc1)NC[C@@H]1Cc2ccccc2O1 Clc1ccc(cn1)[*:1] CC/[NH+]=C(/NC[C@@H]1Cc2ccccc2O1)NC[*:1]
CCO[C@@H](CCNC(=O)C1=Cc2ccccc2OC1)C(C)C CCO[*:1] CC(C)[C@H](CCNC(=O)C1=Cc2ccccc2OC1)[*:1]
CCO[C@@H](CCNC(=O)C1=Cc2ccccc2OC1)C(C)C CC(C)[*:1] CCO[C@@H](CCNC(=O)C1=Cc2ccccc2OC1)[*:1]
C[C@@H]1CCN(C(=O)c2cccnc2Cl)c2cc(C(F)(F)F)ccc2S1 FC(F)(F)[*:1] C[C@@H]1CCN(C(=O)c2cccnc2Cl)c2cc(ccc2S1)[*:1]
C[C@@H]1CCN(C(=O)c2cccnc2Cl)c2cc(C(F)(F)F)ccc2S1 Clc1ncccc1[*:1] C[C@@H]1CCN(C(=O)[*:1])c2cc(ccc2S1)C(F)(F)F
COCCc1cc(NC(=O)c2cc(F)ccc2O)n(C)n1 COCC[*:1] Cn1nc(cc1NC(=O)c1cc(F)ccc1O)[*:1]
COCCc1cc(NC(=O)c2cc(F)ccc2O)n(C)n1 COC[*:1] Cn1nc(cc1NC(=O)c1cc(F)ccc1O)C[*:1]
Cn1ncc(C[NH+]2CC(C(C)(C)C)C2)c1N CC(C)(C)[*:1] Cn1ncc(C[NH+]2CC(C2)[*:1])c1N
CCc1ccc(N(C(C)=O)c2nc(CSc3nnc(C(F)(F)F)n3N)cs2)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)N(C(C)=O)c1nc(cs1)CSc1nnc(n1N)[*:1]
CCc1ccc(N(C(C)=O)c2nc(CSc3nnc(C(F)(F)F)n3N)cs2)cc1 CCc1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)CSc1nnc(n1N)C(F)(F)F)[*:1]
OC[C@@H]1CCO[C@H]1c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] OC[C@@H]1CCO[C@H]1c1ccc(cc1)[*:1]
OC[C@@H]1CCO[C@H]1c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] OC[C@@H]1CCO[C@H]1c1ccc(cc1)O[*:1]
CC(C)Cc1nnc(NC(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)s1 CC(C)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)s1 CC(C)C[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)Nc1nnc(s1)[*:1]
CCc1ccccc1N1C[C@H](/C([O-])=N/S(=O)(=O)c2cccs2)CC1=O c1csc(c1)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)/C([O-])=N/S(=O)(=O)[*:1]
CCc1ccccc1N1C[C@H](/C([O-])=N/S(=O)(=O)c2cccs2)CC1=O CCc1ccccc1[*:1] O=C1C[C@H](CN1[*:1])/C([O-])=N/S(=O)(=O)c1cccs1
Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])s2)C2=C1CC(C)(C)CC2=O Cc1ccc(Cl)cc1[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@@H]2c1ccc(s1)[N+](=O)[O-])[*:1]
Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])s2)C2=C1CC(C)(C)CC2=O O=[N+]([O-])[*:1] Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@@H](C2C(=O)CC(C)(C)CC=21)c1ccc(s1)[*:1]
Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])s2)C2=C1CC(C)(C)CC2=O O=[N+]([O-])c1ccc(s1)[*:1] Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@H](C2C(=O)CC(C)(C)CC=21)[*:1]
O=C(NCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1)c1ccccc1 c1cc2OCOc2cc1[*:1] O=C(NCC(=O)N1CCN(CC1)C(=O)[C@H]1C[C@H]1[*:1])c1ccccc1
O=C(NCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)C(=O)[C@H]1C[C@@H]1c1ccc2OCOc2c1
O=C(NCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(C[*:1])N1CCN(CC1)C(=O)[C@H]1C[C@@H]1c1ccc2OCOc2c1
O=C(NCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1)c1ccccc1 O=C(NC[*:1])c1ccccc1 O=C([C@H]1C[C@@H]1c1ccc2OCOc2c1)N1CCN(CC1)C(=O)[*:1]
O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)OCc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(/C=C/c1cc(Cl)c2OCCOc2c1)OCc1nnc(o1)[*:1]
C[C@@H](C#N)Sc1nc(CN2CCOCC2)nc2ccccc12 C1CN(CCO1)C[*:1] C[C@@H](C#N)Sc1nc(nc2ccccc12)[*:1]
C[C@@H](C#N)Sc1nc(CN2CCOCC2)nc2ccccc12 C1CN(CCO1)[*:1] C[C@@H](C#N)Sc1nc(C[*:1])nc2ccccc12
COc1ccc(CCN/C([O-])=C(\C#N)C(=O)c2cccc3cn[nH]c23)cc1 COc1ccc(cc1)[*:1] N#C/C(C(=O)c1cccc2cn[nH]c12)=C(/[O-])NCC[*:1]
COc1ccc(CCN/C([O-])=C(\C#N)C(=O)c2cccc3cn[nH]c23)cc1 COc1ccc(cc1)C[*:1] N#C/C(C(=O)c1cccc2cn[nH]c12)=C(/[O-])NC[*:1]
COc1ccc(CCN/C([O-])=C(\C#N)C(=O)c2cccc3cn[nH]c23)cc1 c1cc(c2[nH]ncc2c1)[*:1] COc1ccc(cc1)CCN/C([O-])=C(\C#N)C(=O)[*:1]
CCOCCCc1nnc(Br)s1 CCOC[*:1] Brc1nnc(CC[*:1])s1
CCOCCCc1nnc(Br)s1 CCO[*:1] Brc1nnc(CCC[*:1])s1
C[NH+](C)Cc1noc(CCCCC(=O)[O-])n1 O=C([O-])C[*:1] C[NH+](C)Cc1noc(CCC[*:1])n1
C[NH+](C)Cc1noc(CCCCC(=O)[O-])n1 O=C([O-])CC[*:1] C[NH+](C)Cc1noc(CC[*:1])n1
C[NH+](C)Cc1noc(CCCCC(=O)[O-])n1 O=C([O-])[*:1] C[NH+](C)Cc1noc(CCCC[*:1])n1
CC(C)Cn1c(N)c(C(=O)CSc2nnc(-c3ccccc3Br)o2)c(=O)n(C)c1=O CC(C)C[*:1] Cn1c(=O)c(C(=O)CSc2nnc(o2)-c2ccccc2Br)c(N)n(c1=O)[*:1]
CC(C)Cn1c(N)c(C(=O)CSc2nnc(-c3ccccc3Br)o2)c(=O)n(C)c1=O Brc1ccccc1[*:1] CC(C)Cn1c(N)c(C(=O)CSc2nnc(o2)[*:1])c(=O)n(C)c1=O
CC(C)Cn1c(N)c(C(=O)CSc2nnc(-c3ccccc3Br)o2)c(=O)n(C)c1=O CC(C)[*:1] Cn1c(=O)c(C(=O)CSc2nnc(o2)-c2ccccc2Br)c(N)n(C[*:1])c1=O
c1ccc([C@@H]2OCC[C@H]2CNc2cc(-n3ccnc3)ncn2)cc1 c1ccc(cc1)[*:1] c1cn(cn1)-c1cc(ncn1)NC[C@@H]1CCO[C@H]1[*:1]
c1ccc([C@@H]2OCC[C@H]2CNc2cc(-n3ccnc3)ncn2)cc1 c1cn(cn1)[*:1] c1ccc(cc1)[C@@H]1OCC[C@H]1CNc1cc(ncn1)[*:1]
Cc1cc(F)ccc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 N#Cc1ccc(nc1)[*:1] Cc1cc(F)ccc1C[NH2+]C1CCC(CC1)O[*:1]
Cc1cc(F)ccc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 Cc1cc(F)ccc1[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)[NH2+]C[*:1]
O=C(c1cn(Cc2cccnc2)nn1)N1CCN(Cc2ccon2)CC1 c1cncc(c1)[*:1] O=C(c1cn(C[*:1])nn1)N1CCN(CC1)Cc1ccon1
O=C(c1cn(Cc2cccnc2)nn1)N1CCN(Cc2ccon2)CC1 c1cc(no1)[*:1] O=C(c1cn(Cc2cccnc2)nn1)N1CCN(CC1)C[*:1]
O=C(c1cn(Cc2cccnc2)nn1)N1CCN(Cc2ccon2)CC1 c1cc(C[*:1])no1 O=C(c1cn(Cc2cccnc2)nn1)N1CCN(CC1)[*:1]
O=C(c1cn(Cc2cccnc2)nn1)N1CCN(Cc2ccon2)CC1 c1cncc(c1)C[*:1] O=C(c1cn(nn1)[*:1])N1CCN(CC1)Cc1ccon1
Cc1ccccc1NC(=O)CSc1c(C(C)C)cnc2c1c(=O)n(C)c(=O)n2C Cc1ccccc1[*:1] CC(C)c1cnc2c(c1SCC(=O)N[*:1])c(=O)n(C)c(=O)n2C
Cc1ccccc1NC(=O)CSc1c(C(C)C)cnc2c1c(=O)n(C)c(=O)n2C CC(C)[*:1] Cc1ccccc1NC(=O)CSc1c(cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 c1n[nH]cc1[*:1] O=S(=O)(N1CCC[C@@H](C1)c1cncc(n1)-c1cccc(Cl)c1)[*:1]
O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 Clc1cccc(c1)[*:1] O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](C1)c1cncc(n1)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1cc(C(F)(F)F)ccc1N FC(F)(F)[*:1] C[C@@H](CC#N)N(C)C(=O)c1cc(ccc1N)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1cc(C(F)(F)F)ccc1N N#CC[*:1] C[C@@H](N(C)C(=O)c1cc(ccc1N)C(F)(F)F)[*:1]
O=C(C[NH2+]Cc1ccc(F)c(Br)c1)NC1CC1 C1CC1[*:1] O=C(C[NH2+]Cc1ccc(F)c(Br)c1)N[*:1]
CN(CCc1ccncc1)c1cnn(C)c(=O)c1Br c1cc(ccn1)[*:1] CN(CC[*:1])c1cnn(C)c(=O)c1Br
O=C(NC(=S)Nc1ccccn1)c1ccc(Cl)cc1 c1ccc(nc1)[*:1] O=C(NC(=S)N[*:1])c1ccc(Cl)cc1
C[NH+]1CCC(NCc2ccc(Br)cc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] C[NH+]1CCC(CC1)NCc1ccc(Br)cc1[*:1]
O=C(c1ccc(S(=O)(=O)CCCO)nc1)N1CCCC1 OCCC[*:1] O=C(c1ccc(nc1)S(=O)(=O)[*:1])N1CCCC1
O=C(c1ccc(S(=O)(=O)CCCO)nc1)N1CCCC1 OCC[*:1] O=C(c1ccc(nc1)S(=O)(=O)C[*:1])N1CCCC1
CN(C(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CN(C(=O)c1ccc([nH]c1=O)-c1ccco1)c1ccc(cc1)[*:1]
CN(C(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc([nH]c1=O)-c1ccco1)c1ccc(cc1)O[*:1]
CN(C(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccc(Oc2ccccc2)cc1 c1coc(c1)[*:1] CN(C(=O)c1ccc([nH]c1=O)[*:1])c1ccc(cc1)Oc1ccccc1
COc1ccc(-c2nc3n(n2)[C@H](C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)-c1nc2NC(=O)C[C@@H](C(=O)N[*:1])n2n1
COc1ccc(-c2nc3n(n2)[C@H](C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)[C@@H]1CC(=O)Nc2nc(nn21)[*:1]
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)[*:1]
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)C[*:1]
Cc1ccc(OC(F)F)c(CN2CCN(c3nc(C)ns3)CC2)c1 FC(F)[*:1] Cc1ccc(O[*:1])c(c1)CN1CCN(CC1)c1nc(C)ns1
Cc1ccc(OC(F)F)c(CN2CCN(c3nc(C)ns3)CC2)c1 FC(F)O[*:1] Cc1ccc(c(c1)CN1CCN(CC1)c1nc(C)ns1)[*:1]
Cc1ccc(OC(F)F)c(CN2CCN(c3nc(C)ns3)CC2)c1 Cc1nsc(n1)[*:1] Cc1ccc(OC(F)F)c(c1)CN1CCN(CC1)[*:1]
Cc1cc(NC(=O)c2csc(Nc3cccnc3)n2)no1 c1cncc(c1)[*:1] Cc1cc(no1)NC(=O)c1csc(n1)N[*:1]
Cc1cc(NC(=O)c2csc(Nc3cccnc3)n2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])c1csc(n1)Nc1cccnc1
Cc1cc(NC(=O)c2csc(Nc3cccnc3)n2)no1 c1cncc(c1)N[*:1] Cc1cc(no1)NC(=O)c1csc(n1)[*:1]
CC(C)[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] CC(C)[*:1] CC(C)(C)OC(=O)C[C@@H](C(=O)[O-])[*:1]
CC(C)[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](CC(=O)OC(C)(C)C)[*:1]
CC(C)[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] CC(C)(C)[*:1] CC(C)[C@@H](CC(=O)O[*:1])C(=O)[O-]
C[C@H](Sc1nncn1-c1ccccc1)C(=O)NCC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](Sc1nncn1-c1ccccc1)C(=O)NC[*:1]
C[C@H](Sc1nncn1-c1ccccc1)C(=O)NCC1CCCCC1 C1CCC(CC1)C[*:1] C[C@H](Sc1nncn1-c1ccccc1)C(=O)N[*:1]
C[C@H](Sc1nncn1-c1ccccc1)C(=O)NCC1CCCCC1 c1ccc(cc1)[*:1] C[C@H](Sc1nncn1[*:1])C(=O)NCC1CCCCC1
COc1cc(CNC(=O)Nc2ccc(F)cc2Cl)ccc1OCCO Fc1ccc(c(Cl)c1)[*:1] COc1cc(ccc1OCCO)CNC(=O)N[*:1]
COc1cc(CNC(=O)Nc2ccc(F)cc2Cl)ccc1OCCO OCCO[*:1] COc1cc(ccc1[*:1])CNC(=O)Nc1ccc(F)cc1Cl
COc1cc(CNC(=O)Nc2ccc(F)cc2Cl)ccc1OCCO OCC[*:1] COc1cc(ccc1O[*:1])CNC(=O)Nc1ccc(F)cc1Cl
NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(cc1)[*:1]
NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2ccccc2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)-c1ccccc1)N[C@H]1CCCC[C@@H]1[*:1]
CC(=O)N[C@H]1[C@@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O CC(=O)N[*:1] CC1(C)OC[C@H]2O[C@H](Oc3ccccc3C(=O)/C=C/c3ccccc3)[C@@H]([C@@H](O)[C@H]2O1)[*:1]
CC(=O)N[C@H]1[C@@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O C(=C[*:1])c1ccccc1 CC(=O)N[C@H]1[C@@H](Oc2ccccc2C(=O)[*:1])O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O
CC(=O)N[C@H]1[C@@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O O=C(/C=C/c1ccccc1)[*:1] CC(=O)N[C@H]1[C@@H](Oc2ccccc2[*:1])O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O
CC(=O)N[C@H]1[C@@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O c1ccc(cc1)[*:1] CC(=O)N[C@H]1[C@@H](Oc2ccccc2C(=O)C=C[*:1])O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O
CC[C@@H](C(=O)NCc1ccc(F)cc1)n1nc(C)c2sc3ccccc3c2c1=O Fc1ccc(cc1)[*:1] CC[C@@H](C(=O)NC[*:1])n1nc(C)c2sc3ccccc3c2c1=O
CC[C@@H](C(=O)NCc1ccc(F)cc1)n1nc(C)c2sc3ccccc3c2c1=O Fc1ccc(cc1)C[*:1] CC[C@@H](C(=O)N[*:1])n1nc(C)c2sc3ccccc3c2c1=O
Cc1nnc(N(CCC(C)C)C(=O)Cc2ccon2)c2ccccc12 CC(C)C[*:1] Cc1nnc(c2ccccc12)N(C[*:1])C(=O)Cc1ccon1
Cc1nnc(N(CCC(C)C)C(=O)Cc2ccon2)c2ccccc12 CC(C)CC[*:1] Cc1nnc(c2ccccc12)N(C(=O)Cc1ccon1)[*:1]
Cc1nnc(N(CCC(C)C)C(=O)Cc2ccon2)c2ccccc12 c1cc(C[*:1])no1 Cc1nnc(c2ccccc12)N(CCC(C)C)C(=O)[*:1]
Cc1nnc(N(CCC(C)C)C(=O)Cc2ccon2)c2ccccc12 c1cc(no1)[*:1] Cc1nnc(c2ccccc12)N(CCC(C)C)C(=O)C[*:1]
Cc1nnc(N(CCC(C)C)C(=O)Cc2ccon2)c2ccccc12 CC(C)[*:1] Cc1nnc(c2ccccc12)N(CC[*:1])C(=O)Cc1ccon1
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Cc1cccs1 c1csc(c1)C[*:1] CN(Cc1cn(nc1-c1cccs1)-c1ccccc1)C(=O)[*:1]
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Cc1cccs1 c1csc(c1)[*:1] CN(Cc1cn(nc1[*:1])-c1ccccc1)C(=O)Cc1cccs1
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Cc1cccs1 c1csc(c1)[*:1] CN(Cc1cn(nc1-c1cccs1)-c1ccccc1)C(=O)C[*:1]
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Cc1cccs1 c1ccc(cc1)[*:1] CN(Cc1cn(nc1-c1cccs1)[*:1])C(=O)Cc1cccs1
Cc1ccc([C@@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccco2)cc1F c1coc(c1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N(C1CC1)[C@H](C)[*:1]
Cc1ccc([C@@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccco2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](c1ccco1)N(C(=O)N[C@H](C)[*:1])C1CC1
Cc1ccc([C@@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccco2)cc1F C[C@H](c1ccco1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N(C1CC1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccco2)cc1F C1CC1[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N([C@H](C)c1ccco1)[*:1]
COc1cccc(CC(=O)NCc2cc(-c3ccccn3)n(C)n2)c1 COc1cccc(c1)[*:1] Cn1nc(cc1-c1ccccn1)CNC(=O)C[*:1]
COc1cccc(CC(=O)NCc2cc(-c3ccccn3)n(C)n2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)CC(=O)NCc1cc(n(C)n1)[*:1]
CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1cccnc1 CC(C)(C)[*:1] CCN(C(=O)c1cc(C(C)C)n(n1)[*:1])c1cccnc1
CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1cccnc1 CC(C)[*:1] CCN(C(=O)c1cc(n(n1)C(C)(C)C)[*:1])c1cccnc1
CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1cccnc1 c1cncc(c1)[*:1] CCN(C(=O)c1cc(C(C)C)n(n1)C(C)(C)C)[*:1]
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)c1nccs1 c1csc(n1)[*:1] COc1cc(ccc1S(=O)(=O)N(Cc1ccccc1)[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)c1nccs1 c1ccc(cc1)[*:1] COc1cc(ccc1S(=O)(=O)N(C[*:1])c1nccs1)[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)c1nccs1 c1ccc(cc1)C[*:1] COc1cc(ccc1S(=O)(=O)N(c1nccs1)[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)c1nccs1 O=[N+]([O-])[*:1] COc1cc(ccc1S(=O)(=O)N(Cc1ccccc1)c1nccs1)[*:1]
O=C(NCc1ccc(-n2ccnc2)nc1)C(=O)Nc1ccc(-c2ccccc2)cc1 c1cn(cn1)[*:1] O=C(NCc1ccc(nc1)[*:1])C(=O)Nc1ccc(cc1)-c1ccccc1
O=C(NCc1ccc(-n2ccnc2)nc1)C(=O)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(nc1)-n1ccnc1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)n1ncc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1C1CC1 CC[C@H](C)[*:1] O=C(c1cnn(c1C1CC1)[*:1])N1CC[C@@H](C1)c1ccc(F)cc1
CC[C@H](C)n1ncc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1C1CC1 Fc1ccc(cc1)[*:1] CC[C@H](C)n1ncc(C(=O)N2CC[C@H](C2)[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)N2CC[C@@H](C2)c2ccc(F)cc2)c1[*:1]
CNC(=O)[C@@H](C)CN(C)[C@H](C(=O)NC(N)=O)c1ccccc1 CNC(=O)[*:1] C[C@@H](CN(C)[C@H](C(=O)NC(N)=O)c1ccccc1)[*:1]
CNC(=O)[C@@H](C)CN(C)[C@H](C(=O)NC(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@@H](C)CN(C)[C@H](C(=O)NC(N)=O)[*:1]
CNC(=O)[C@@H](C)CN(C)[C@H](C(=O)NC(N)=O)c1ccccc1 CNC(=O)[C@@H](C)[*:1] CN(C[*:1])[C@H](C(=O)NC(N)=O)c1ccccc1
CNC(=O)[C@@H](C)CN(C)[C@H](C(=O)NC(N)=O)c1ccccc1 NC(=O)NC(=O)[*:1] CNC(=O)[C@@H](C)CN(C)[C@H](c1ccccc1)[*:1]
COc1ccccc1[C@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 COc1ccccc1[*:1] N#Cc1ccc(c(c1)[N+](=O)[O-])N1CC[C@@H](C1)[*:1]
COc1ccccc1[C@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] COc1ccccc1[C@H]1CCN(C1)c1ccc(C#N)cc1[*:1]
CC(C)(C)Oc1ccc(C(=O)n2ncc(C#N)c2N)cc1 CC(C)(C)O[*:1] N#Cc1cnn(C(=O)c2ccc(cc2)[*:1])c1N
CC(C)(C)Oc1ccc(C(=O)n2ncc(C#N)c2N)cc1 CC(C)(C)[*:1] N#Cc1cnn(C(=O)c2ccc(cc2)O[*:1])c1N
C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCOC(C)(C)C1 CC1(C)CN(CCO1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)N1CCCC1=O)[*:1]
C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCOC(C)(C)C1 O=C1CCCN1[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])N1CCOC(C)(C)C1
Cc1c(C(N)=O)nnn1-c1ccccc1Br NC(=O)[*:1] Cc1c(nnn1-c1ccccc1Br)[*:1]
Cc1n[nH]c(C)c1NC(=O)CN1CCN(c2cc(Cl)ncn2)CC1 Cc1n[nH]c(C)c1[*:1] O=C(CN1CCN(CC1)c1cc(Cl)ncn1)N[*:1]
Cc1n[nH]c(C)c1NC(=O)CN1CCN(c2cc(Cl)ncn2)CC1 Clc1cc(ncn1)[*:1] Cc1n[nH]c(C)c1NC(=O)CN1CCN(CC1)[*:1]
Cc1cc(NC(=O)[C@H](C)Sc2nc3cc(Cl)ccc3n2C)no1 Cc1cc(no1)[*:1] C[C@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)N[*:1]
CCc1cc(NC(=O)CCc2c[nH]c3ccc(C)cc23)[nH]n1 CCc1cc([nH]n1)[*:1] Cc1ccc2[nH]cc(CCC(=O)N[*:1])c2c1
CCOc1cc2c(cc1CSCc1nnnn1-c1ccccc1)O[C@H](C)C2 c1ccc(cc1)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1CSCc1nnnn1[*:1]
CCOc1cc2c(cc1CSCc1nnnn1-c1ccccc1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)CSCc1nnnn1-c1ccccc1)[*:1]
COc1ccccc1SCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 COc1ccccc1[*:1] CC1CC[NH+](CC1)Cc1csc(n1)NC(=O)CS[*:1]
COc1ccc(OCc2nc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)co2)cc1 COc1ccc(cc1)[*:1] O=C(c1coc(CO[*:1])n1)N1CC[C@@H]1c1ccc(F)cc1
COc1ccc(OCc2nc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)co2)cc1 COc1ccc(cc1)O[*:1] O=C(c1coc(C[*:1])n1)N1CC[C@@H]1c1ccc(F)cc1
COc1ccc(OCc2nc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)co2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)OCc1nc(co1)C(=O)N1CC[C@H]1[*:1]
CCC[NH2+][C@H](CC)Cc1ncnc2c1CCCC2 CCC[*:1] CC[C@H](Cc1ncnc2CCCCc21)[NH2+][*:1]
C[C@@H](Cc1cccs1)N(C)Cc1ccccc1C[NH3+] c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)Cc1ccccc1C[NH3+]
C[C@@H](Cc1cccs1)N(C)Cc1ccccc1C[NH3+] c1csc(c1)C[*:1] C[C@@H](N(C)Cc1ccccc1C[NH3+])[*:1]
Cc1cccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1 Cc1cccc(c1)[*:1] Cc1ccc(c(c1)OCCC(=O)N[*:1])[N+](=O)[O-]
Cc1cccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cccc(c1)NC(=O)CCOc1cc(C)ccc1[*:1]
COc1ccc(S[C@H](C)C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)S[C@H](C)C(=O)NCc1ccc[nH+]c1[*:1]
COc1ccc(S[C@H](C)C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)NCc1ccc[nH+]c1N1CCOCC1
COc1ccc(S[C@H](C)C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 COc1ccc(cc1)S[*:1] C[C@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)[*:1]
O=C(CC1CC1)NCc1ccc(C(=O)[O-])o1 C1CC1[*:1] O=C(C[*:1])NCc1ccc(o1)C(=O)[O-]
O=C(CC1CC1)NCc1ccc(C(=O)[O-])o1 C1CC1C[*:1] O=C([O-])c1ccc(CNC(=O)[*:1])o1
O=C(CC1CC1)NCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] O=C(CC1CC1)NCc1ccc(o1)[*:1]
CCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cc4c(s3)CCC4)ccc21 c1c(sc2CCCc12)[*:1] CCC(=O)N1CCc2cc(ccc21)C(=O)NNC(=O)[*:1]
CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1c(N)nnc1SCc1ccccc1 Clc1ccc(cc1Cl)[*:1] CC[C@H](C(=O)N[*:1])n1c(N)nnc1SCc1ccccc1
CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1c(N)nnc1SCc1ccccc1 c1ccc(cc1)CS[*:1] CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1c(N)nnc1[*:1]
CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1c(N)nnc1SCc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1c(N)nnc1SC[*:1]
CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1c(N)nnc1SCc1ccccc1 c1ccc(cc1)C[*:1] CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1c(N)nnc1S[*:1]
CN1C(=O)C[C@H](C(=O)Oc2ccc(C(C)(C)C)cc2)[C@@H]1c1cccnc1 c1cncc(c1)[*:1] CN1C(=O)C[C@H](C(=O)Oc2ccc(cc2)C(C)(C)C)[C@H]1[*:1]
CN1C(=O)C[C@H](C(=O)Oc2ccc(C(C)(C)C)cc2)[C@@H]1c1cccnc1 CC(C)(C)[*:1] CN1C(=O)C[C@H](C(=O)Oc2ccc(cc2)[*:1])[C@@H]1c1cccnc1
Cc1cc(NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1Br CC(C)(C)[*:1] Cc1cc(ccc1Br)NC(=O)CC1CCN(CC1)C(=O)O[*:1]
Cc1cc(NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1Br Cc1cc(ccc1Br)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)N[*:1]
CCCNC(=O)Nc1cc(-c2ccccc2)sc1C(=O)OCC CCC[*:1] CCOC(=O)c1sc(cc1NC(=O)N[*:1])-c1ccccc1
CCCNC(=O)Nc1cc(-c2ccccc2)sc1C(=O)OCC c1ccc(cc1)[*:1] CCCNC(=O)Nc1cc(sc1C(=O)OCC)[*:1]
CCCNC(=O)Nc1cc(-c2ccccc2)sc1C(=O)OCC CCCNC(=O)N[*:1] CCOC(=O)c1sc(cc1[*:1])-c1ccccc1
CCCNC(=O)Nc1cc(-c2ccccc2)sc1C(=O)OCC CCOC(=O)[*:1] CCCNC(=O)Nc1cc(sc1[*:1])-c1ccccc1
O=C(CCc1ccccc1)N1CCC([C@@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)C[*:1] O=C(CCc1ccccc1)N1CCC(CC1)[C@@H]1CC=CCN(C1=O)[*:1]
O=C(CCc1ccccc1)N1CCC([C@@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)CC[*:1] O=C1[C@@H](CC=CCN1Cc1ccccc1)C1CCN(CC1)C(=O)[*:1]
O=C(CCc1ccccc1)N1CCC([C@@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)C[*:1] O=C(C[*:1])N1CCC(CC1)[C@@H]1CC=CCN(Cc2ccccc2)C1=O
O=C(CCc1ccccc1)N1CCC([C@@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] O=C(CCc1ccccc1)N1CCC(CC1)[C@@H]1CC=CCN(C[*:1])C1=O
O=C(CCc1ccccc1)N1CCC([C@@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] O=C(CC[*:1])N1CCC(CC1)[C@@H]1CC=CCN(Cc2ccccc2)C1=O
O=C(Nc1ccccc1)c1cccc(CN2CCOC[C@H]2C2CC2)c1 c1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)CN1CCOC[C@H]1C1CC1
O=C(Nc1ccccc1)c1cccc(CN2CCOC[C@H]2C2CC2)c1 C1CC1[*:1] O=C(Nc1ccccc1)c1cccc(c1)CN1CCOC[C@@H]1[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(F)cc1
Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCOCC1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N1CCOCC1)S(=O)(=O)N[*:1]
COC1CC[NH+](CCNC(=O)C(=O)Nc2cnc(-c3ccccc3)s2)CC1 c1ccc(cc1)[*:1] COC1CC[NH+](CCNC(=O)C(=O)Nc2cnc(s2)[*:1])CC1
Cc1cc(C)cc(CSc2ccc(C(N)=[NH2+])cc2)c1 NC(=[NH2+])[*:1] Cc1cc(C)cc(c1)CSc1ccc(cc1)[*:1]
CCOc1ccccc1-n1nnnc1SCC(=O)Nc1sccc1C#N N#Cc1ccsc1[*:1] CCOc1ccccc1-n1nnnc1SCC(=O)N[*:1]
CCOc1ccccc1-n1nnnc1SCC(=O)Nc1sccc1C#N CCO[*:1] N#Cc1ccsc1NC(=O)CSc1nnnn1-c1ccccc1[*:1]
COc1cc(OC)cc([C@H]2CCN(S(=O)(=O)c3cccnc3)C2)c1 c1cncc(c1)[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)S(=O)(=O)[*:1])OC
COc1ccccc1[C@@H](NC(=O)CCc1ccccc1C)c1noc(C)n1 Cc1ccccc1C[*:1] COc1ccccc1[C@@H](NC(=O)C[*:1])c1noc(C)n1
COc1ccccc1[C@@H](NC(=O)CCc1ccccc1C)c1noc(C)n1 COc1ccccc1[*:1] Cc1nc(no1)[C@H](NC(=O)CCc1ccccc1C)[*:1]
COc1ccccc1[C@@H](NC(=O)CCc1ccccc1C)c1noc(C)n1 Cc1ccccc1CC[*:1] COc1ccccc1[C@@H](NC(=O)[*:1])c1noc(C)n1
COc1ccccc1[C@@H](NC(=O)CCc1ccccc1C)c1noc(C)n1 Cc1ccccc1[*:1] COc1ccccc1[C@@H](NC(=O)CC[*:1])c1noc(C)n1
COc1ccccc1[C@@H](NC(=O)CCc1ccccc1C)c1noc(C)n1 Cc1nc(no1)[*:1] COc1ccccc1[C@@H](NC(=O)CCc1ccccc1C)[*:1]
CC(C)[NH+](CC(N)=O)Cc1ccc(Br)cc1F NC(=O)C[*:1] CC(C)[NH+](Cc1ccc(Br)cc1F)[*:1]
CC(C)[NH+](CC(N)=O)Cc1ccc(Br)cc1F NC(=O)[*:1] CC(C)[NH+](Cc1ccc(Br)cc1F)C[*:1]
CC(C)[NH+](CC(N)=O)Cc1ccc(Br)cc1F CC(C)[*:1] NC(=O)C[NH+](Cc1ccc(Br)cc1F)[*:1]
O=C([O-])C[C@@H](C(=O)N(c1ccccc1)c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] O=C([O-])C[C@@H](C(=O)N(c1ccccc1)c1ccccc1)[*:1]
O=C([O-])C[C@@H](C(=O)N(c1ccccc1)c1ccccc1)N1CCOCC1 O=C([O-])[*:1] O=C([C@H](C[*:1])N1CCOCC1)N(c1ccccc1)c1ccccc1
O=C([O-])C[C@@H](C(=O)N(c1ccccc1)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([O-])C[C@@H](C(=O)N(c1ccccc1)[*:1])N1CCOCC1
C[C@@H](CS(C)(=O)=O)N(Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 C1CC1[*:1] C[C@@H](CS(C)(=O)=O)N(Cc1c[nH]nc1-c1ccc(F)cc1)[*:1]
C[C@@H](CS(C)(=O)=O)N(Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1
C[C@@H](CS(C)(=O)=O)N(Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 CS(=O)(=O)C[*:1] C[C@@H](N(Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1)[*:1]
C[C@@H](CS(C)(=O)=O)N(Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] C[C@@H](CS(C)(=O)=O)N(Cc1c[nH]nc1[*:1])C1CC1
CCN(C(=O)c1cnc([C@@H]2CCCO2)s1)[C@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@@H]1[*:1] CCN(C(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
CCN(C(=O)c1cnc([C@@H]2CCCO2)s1)[C@H]1CCCC[C@@H]1C C1CO[C@@H](C1)[*:1] CCN(C(=O)c1cnc(s1)[*:1])[C@H]1CCCC[C@@H]1C
Cc1cc2ncn(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)c2cc1C Cc1ccc(cc1Cl)[*:1] Cc1cc2ncn(C(=O)[C@H]3CC(=O)N(C3)[*:1])c2cc1C
O=C(c1ccc(Br)o1)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(c1ccc(Br)o1)N1CCN(CC1)[*:1]
O=C(c1ccc(Br)o1)N1CCN(c2ccccc2O)CC1 Brc1ccc(o1)[*:1] O=C(N1CCN(CC1)c1ccccc1O)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2ccc(Br)s2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccc(Br)s1
COC(=O)[C@@H]1CN(C(=O)c2ccc(Br)s2)C[C@H]1C Brc1ccc(s1)[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)[*:1]
CC(=O)Nc1cc(NCC(=O)N[C@H](C)c2ccccc2Cl)c(F)cc1F Clc1ccccc1[*:1] CC(=O)Nc1cc(NCC(=O)N[C@H](C)[*:1])c(F)cc1F
CC(=O)Nc1cc(NCC(=O)N[C@H](C)c2ccccc2Cl)c(F)cc1F CC(=O)N[*:1] C[C@@H](NC(=O)CNc1cc(c(F)cc1F)[*:1])c1ccccc1Cl
Cc1ccc(C[NH+]2CCn3c(nnc3C(F)(F)F)C2)s1 Cc1ccc(s1)[*:1] FC(F)(F)c1nnc2C[NH+](CCn21)C[*:1]
Cc1ccc(C[NH+]2CCn3c(nnc3C(F)(F)F)C2)s1 FC(F)(F)[*:1] Cc1ccc(C[NH+]2CCn3c(C2)nnc3[*:1])s1
C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2s1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2s1)[*:1]
C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1[*:1]
C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-] CC(C)(C)OC(=O)N[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])C(=O)N1CCC[C@H]1C(=O)[O-]
C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-] CC(C)(C)[*:1] C[C@H](NC(=O)O[*:1])C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-]
COC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] COC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 COC[C@@](C)(O)C[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
COC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 COC[*:1] C[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1)[*:1]
CS(=O)(=O)c1ccc(/C(N)=N/OCCn2cc[nH+]c2)cc1 CS(=O)(=O)[*:1] N/C(=N\OCCn1cc[nH+]c1)c1ccc(cc1)[*:1]
O=C(c1ccccn1)N1CCC(C(=O)N2CCc3nc(-c4ccccc4)oc3C2)CC1 c1ccc(nc1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCc2nc(oc2C1)-c1ccccc1
O=C(c1ccccn1)N1CCC(C(=O)N2CCc3nc(-c4ccccc4)oc3C2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccn1)N1CCC(CC1)C(=O)N1CCc2nc(oc2C1)[*:1]
O[C@H](Cc1nccs1)c1cccc(Cl)c1F c1csc(n1)[*:1] O[C@H](C[*:1])c1cccc(Cl)c1F
O=C([O-])c1coc(-c2csc(-c3ccc(Cl)cn3)n2)c1 O=C([O-])[*:1] Clc1ccc(nc1)-c1nc(cs1)-c1cc(co1)[*:1]
Cc1cnn(-c2ccc([C@H](C)NC(=O)N(C)CC(F)F)cc2F)c1 FC(F)[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@H](C)NC(=O)N(C)C[*:1]
Cc1cnn(-c2ccc([C@H](C)NC(=O)N(C)CC(F)F)cc2F)c1 Cc1cnn(c1)[*:1] C[C@H](NC(=O)N(C)CC(F)F)c1ccc(c(F)c1)[*:1]
Cc1cnn(-c2ccc([C@H](C)NC(=O)N(C)CC(F)F)cc2F)c1 FC(F)C[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@H](C)NC(=O)N(C)[*:1]
COCCOc1ccc(NC(=O)Nc2cccc(C)c2)cc1F COCCO[*:1] Cc1cccc(c1)NC(=O)Nc1ccc(c(F)c1)[*:1]
COCCOc1ccc(NC(=O)Nc2cccc(C)c2)cc1F Cc1cccc(c1)[*:1] COCCOc1ccc(cc1F)NC(=O)N[*:1]
COCCOc1ccc(NC(=O)Nc2cccc(C)c2)cc1F COCC[*:1] Cc1cccc(c1)NC(=O)Nc1ccc(O[*:1])c(F)c1
COCCOc1ccc(NC(=O)Nc2cccc(C)c2)cc1F COC[*:1] Cc1cccc(c1)NC(=O)Nc1ccc(OC[*:1])c(F)c1
C[C@@H](Cc1cccs1)n1c(=S)[nH]c2cnccc21 c1csc(c1)[*:1] C[C@@H](C[*:1])n1c(=S)[nH]c2cnccc21
C[C@@H](Cc1cccs1)n1c(=S)[nH]c2cnccc21 c1csc(c1)C[*:1] C[C@@H](n1c(=S)[nH]c2cnccc21)[*:1]
CC[NH2+][C@@H](c1sccc1Br)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] CC[NH2+][C@@H](c1sccc1Br)[C@@H](C)[*:1]
CC[NH2+][C@@H](c1sccc1Br)[C@@H](C)c1ccccn1 Brc1ccsc1[*:1] CC[NH2+][C@@H]([C@@H](C)c1ccccn1)[*:1]
CCn1cc(Nc2scc(-c3cnn(C)c3)[n+]2CC)cn1 CCn1cc(cn1)[*:1] CC[n+]1c(csc1N[*:1])-c1cnn(C)c1
CCn1cc(Nc2scc(-c3cnn(C)c3)[n+]2CC)cn1 Cn1cc(cn1)[*:1] CCn1cc(cn1)Nc1scc([n+]1CC)[*:1]
Cc1ccc(C(=O)COC(=O)c2ccc(NS(C)(=O)=O)cc2)s1 CS(=O)(=O)N[*:1] Cc1ccc(s1)C(=O)COC(=O)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)COC(=O)c2ccc(NS(C)(=O)=O)cc2)s1 Cc1ccc(s1)[*:1] CS(=O)(=O)Nc1ccc(cc1)C(=O)OCC(=O)[*:1]
CS[C@H]1CC[C@@H](NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)C1 c1coc(c1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)N(C[C@@H]1CCCO1)C[*:1]
CS[C@H]1CC[C@@H](NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)C1 c1coc(c1)C[*:1] CS[C@H]1CC[C@H](C1)NC(=O)N(C[C@@H]1CCCO1)[*:1]
CS[C@H]1CC[C@@H](NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)N(Cc1ccco1)C[*:1]
CS[C@H]1CC[C@@H](NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)C1 C1CO[C@@H](C1)C[*:1] CS[C@H]1CC[C@H](C1)NC(=O)N(Cc1ccco1)[*:1]
CCN1C(C(=O)c2ccccc2)=C(N(C)C)c2ccccc2S1(=O)=O O=C(c1ccccc1)[*:1] CCN1C(=C(c2ccccc2S1(=O)=O)N(C)C)[*:1]
CCN1C(C(=O)c2ccccc2)=C(N(C)C)c2ccccc2S1(=O)=O c1ccc(cc1)[*:1] CCN1C(C(=O)[*:1])=C(c2ccccc2S1(=O)=O)N(C)C
CCN1C(C(=O)c2ccccc2)=C(N(C)C)c2ccccc2S1(=O)=O CN(C)[*:1] CCN1C(C(=O)c2ccccc2)=C(c2ccccc2S1(=O)=O)[*:1]
N#CCCN(Cc1ccco1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 N#CC[*:1] O=C([C@H]1Cc2cc(Cl)ccc2O1)N(Cc1ccco1)C[*:1]
N#CCCN(Cc1ccco1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 c1coc(c1)C[*:1] N#CCCN(C(=O)[C@H]1Cc2cc(Cl)ccc2O1)[*:1]
N#CCCN(Cc1ccco1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 c1coc(c1)[*:1] N#CCCN(C[*:1])C(=O)[C@H]1Cc2cc(Cl)ccc2O1
N#CCCN(Cc1ccco1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 N#CCC[*:1] O=C([C@H]1Cc2cc(Cl)ccc2O1)N(Cc1ccco1)[*:1]
CCCc1ccc(C(=O)NC[C@]2(O)CCSC2)cc1 CCC[*:1] O=C(NC[C@]1(O)CCSC1)c1ccc(cc1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[C@@H]1OC(=O)c2ccccc21 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)C[C@@H]1OC(=O)c2ccccc21)[*:1]
COC(=O)[C@H]1CN(c2ccnc(C(N)=O)c2)C[C@H]1C NC(=O)[*:1] COC(=O)[C@H]1CN(C[C@H]1C)c1ccnc(c1)[*:1]
COC(=O)[C@H]1CN(c2ccnc(C(N)=O)c2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@@H]1[*:1])c1ccnc(c1)C(N)=O
Cc1cc(C(=O)N2CCOCC2)n(CC(=O)N[C@@H](C)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCOCC2)n(CC(=O)N[C@@H](C)[*:1])n1
Cc1cc(C(=O)N2CCOCC2)n(CC(=O)N[C@@H](C)c2ccccc2)n1 O=C(N1CCOCC1)[*:1] Cc1cc(n(CC(=O)N[C@@H](C)c2ccccc2)n1)[*:1]
Cc1cc(C(=O)N2CCOCC2)n(CC(=O)N[C@@H](C)c2ccccc2)n1 C[C@@H](c1ccccc1)[*:1] Cc1cc(C(=O)N2CCOCC2)n(CC(=O)N[*:1])n1
Cc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)s1 Cc1ccc(s1)[*:1] O=C(OCc1csc(n1)-c1ccccc1)[*:1]
Cc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)OCc1csc(n1)[*:1]
Cc1cc(NC(=O)COC(=O)c2cccc(-n3cnnn3)c2)no1 Cc1cc(no1)[*:1] O=C(COC(=O)c1cccc(c1)-n1cnnn1)N[*:1]
Cc1cc(NC(=O)COC(=O)c2cccc(-n3cnnn3)c2)no1 c1nnnn1[*:1] Cc1cc(no1)NC(=O)COC(=O)c1cccc(c1)[*:1]
C[NH+]1CCCN(C(=O)c2nc3sccn3c2CN2CCCC(F)(F)C2)CC1 FC1(F)CCCN(C1)C[*:1] C[NH+]1CCCN(CC1)C(=O)c1nc2sccn2c1[*:1]
C[NH+]1CCCN(C(=O)c2nc3sccn3c2CN2CCCC(F)(F)C2)CC1 FC1(F)CCCN(C1)[*:1] C[NH+]1CCCN(CC1)C(=O)c1nc2sccn2c1C[*:1]
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)CC1CCCCC1 Fc1ccccc1[*:1] C[C@H](C[*:1])C(=O)NNC(=O)CC1CCCCC1
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)CC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](Cc1ccccc1F)C(=O)NNC(=O)C[*:1]
C[C@H](Cc1ccccc1F)C(=O)NNC(=O)CC1CCCCC1 C1CCC(CC1)C[*:1] C[C@H](Cc1ccccc1F)C(=O)NNC(=O)[*:1]
O=C(C[C@H](O)c1ccccc1)Nc1cccc(N2CCCCCC2)c1 O[C@H](c1ccccc1)[*:1] O=C(C[*:1])Nc1cccc(c1)N1CCCCCC1
O=C(C[C@H](O)c1ccccc1)Nc1cccc(N2CCCCCC2)c1 C1CCCN(CC1)[*:1] O=C(C[C@H](O)c1ccccc1)Nc1cccc(c1)[*:1]
O=C(C[C@H](O)c1ccccc1)Nc1cccc(N2CCCCCC2)c1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])Nc1cccc(c1)N1CCCCCC1
C[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)NC(N)=O)CC1 NC(=O)NC(=O)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C[*:1]
CCOc1ncccc1NCc1cc(C)n(CC)c1C CCO[*:1] CCn1c(C)cc(CNc2cccnc2[*:1])c1C
C=CCO[C@H](C)C(=O)Nc1c(C)cccc1C C=CC[*:1] Cc1cccc(C)c1NC(=O)[C@@H](C)O[*:1]
C=CCO[C@H](C)C(=O)Nc1c(C)cccc1C C=CCO[*:1] Cc1cccc(C)c1NC(=O)[C@@H](C)[*:1]
CC(=O)N(C)C1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 Clc1ccccc1[*:1] CC(=O)N(C)C1CC[NH+](CC1)Cc1ccc(o1)[*:1]
CC(=O)N(C)C1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 CC(=O)N(C)[*:1] Clc1ccccc1-c1ccc(C[NH+]2CCC(CC2)[*:1])o1
C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1ccc(cc1)C(F)(F)F
C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccncc1 FC(F)(F)[*:1] C[C@H]([NH2+][C@@H](C)c1ccc(cc1)[*:1])c1ccncc1
CCC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4cnccn4)CC3)ccc21 c1cnc(cn1)[*:1] CCC(=O)N1CCCc2cc(ccc21)[C@@H](O)CN1CCN(CC1)[*:1]
Cc1cc(F)ccc1CCNC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 Cc1cc(F)ccc1[*:1] O=C(NCC[*:1])N[C@H]1CC(=O)N(C1)CC(F)(F)F
Cc1cc(F)ccc1CCNC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] Cc1cc(F)ccc1CCNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
Cc1cc(F)ccc1CCNC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] Cc1cc(F)ccc1CCNC(=O)N[C@H]1CC(=O)N(C1)C[*:1]
Cc1nc(NC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)oc1C c1ccc(cc1)[*:1] Cc1nc(NC(=O)NCc2nn(c3CCCc23)[*:1])oc1C
Cc1nc(NC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)oc1C Cc1nc(oc1C)[*:1] O=C(NCc1nn(-c2ccccc2)c2CCCc12)N[*:1]
COC(=O)c1ccccc1NC(=O)N(C)Cc1nccs1 c1csc(C[*:1])n1 COC(=O)c1ccccc1NC(=O)N(C)[*:1]
COC(=O)c1ccccc1NC(=O)N(C)Cc1nccs1 c1csc(n1)[*:1] COC(=O)c1ccccc1NC(=O)N(C)C[*:1]
COC(=O)c1ccccc1NC(=O)N(C)Cc1nccs1 COC(=O)[*:1] CN(Cc1nccs1)C(=O)Nc1ccccc1[*:1]
Cc1cc2occ(CC(=O)OCC3(C)COC3)c2cc1C CC1(COC1)C[*:1] Cc1cc2occ(CC(=O)O[*:1])c2cc1C
Cc1cc2occ(CC(=O)OCC3(C)COC3)c2cc1C CC1(COC1)[*:1] Cc1cc2occ(CC(=O)OC[*:1])c2cc1C
Cc1ccc(C(=O)N2CCN(Cc3nc4ccccc4c(C)c3Cl)CC2)cc1F Cc1ccc(cc1F)[*:1] Cc1c(Cl)c(CN2CCN(CC2)C(=O)[*:1])nc2ccccc12
CNc1cc(CN2CCSC[C@H]2C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1cc(ccc1[*:1])CN1CCSC[C@H]1C
N#CCC(=O)Nc1cc(Cl)ccc1N1CCOCC1 C1CN(CCO1)[*:1] N#CCC(=O)Nc1cc(Cl)ccc1[*:1]
N#CCC(=O)Nc1cc(Cl)ccc1N1CCOCC1 N#CCC(=O)N[*:1] Clc1ccc(c(c1)[*:1])N1CCOCC1
N#CCC(=O)Nc1cc(Cl)ccc1N1CCOCC1 N#CC[*:1] O=C(Nc1cc(Cl)ccc1N1CCOCC1)[*:1]
C[C@H](NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N(C)CCCc1cc(n[nH]1)-c1ccccc1)[*:1]
C[C@H](NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N(C)CCCc1cc(n[nH]1)[*:1])c1ccccc1
C[C@H](NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1)c1ccccc1 C[C@H](c1ccccc1)[*:1] CN(CCCc1cc(n[nH]1)-c1ccccc1)C(=O)N[*:1]
CCC[C@@H](C#N)NC(=O)COc1cc(Cl)cc(Cl)c1 CCC[C@@H](C#N)[*:1] O=C(COc1cc(Cl)cc(Cl)c1)N[*:1]
CCC[C@@H](C#N)NC(=O)COc1cc(Cl)cc(Cl)c1 CCC[*:1] N#C[C@@H](NC(=O)COc1cc(Cl)cc(Cl)c1)[*:1]
COCCOc1ccc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1 COCC[*:1] O=C(c1ccc(cc1)O[*:1])N1CCC[C@H](C1)c1ccn[nH]1
COCCOc1ccc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1 COCCO[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H](C1)c1ccn[nH]1
COCCOc1ccc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1 c1cc([nH]n1)[*:1] COCCOc1ccc(cc1)C(=O)N1CCC[C@@H](C1)[*:1]
COCCOc1ccc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1 COC[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCC[C@H](C1)c1ccn[nH]1
O=C(Nc1ccc(Cl)cc1)Nc1ncn[nH]1 c1n[nH]c(n1)[*:1] O=C(Nc1ccc(Cl)cc1)N[*:1]
Fc1ccc(Cn2ccnc2-c2cnccn2)cc1Br c1cnc(cn1)[*:1] Fc1ccc(cc1Br)Cn1ccnc1[*:1]
CCOC[C@@H]1CCCN(C(=O)NCC(C)(C)C[C@@H](C)O)C1 C[C@@H](O)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)NCC(C)(C)C[*:1]
CCOC[C@@H]1CCCN(C(=O)NCC(C)(C)C[C@@H](C)O)C1 CCO[*:1] C[C@@H](O)CC(C)(C)CNC(=O)N1CCC[C@H](C1)C[*:1]
CCOC[C@@H]1CCCN(C(=O)NCC(C)(C)C[C@@H](C)O)C1 C[C@@H](O)CC(C)(C)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)NC[*:1]
CCOC[C@@H]1CCCN(C(=O)NCC(C)(C)C[C@@H](C)O)C1 CCOC[*:1] C[C@@H](O)CC(C)(C)CNC(=O)N1CCC[C@H](C1)[*:1]
CCOC[C@@H]1CCCN(C(=O)NCC(C)(C)C[C@@H](C)O)C1 C[C@@H](O)C[*:1] CCOC[C@@H]1CCCN(C1)C(=O)NCC(C)(C)[*:1]
Cc1nc(CN(C(=O)CCCn2ccnn2)c2ccc(F)cc2)cs1 c1cn(C[*:1])nn1 Cc1nc(cs1)CN(C(=O)CC[*:1])c1ccc(F)cc1
Cc1nc(CN(C(=O)CCCn2ccnn2)c2ccc(F)cc2)cs1 c1cn(nn1)[*:1] Cc1nc(cs1)CN(C(=O)CCC[*:1])c1ccc(F)cc1
Cc1nc(CN(C(=O)CCCn2ccnn2)c2ccc(F)cc2)cs1 c1cn(CCC[*:1])nn1 Cc1nc(cs1)CN(C(=O)[*:1])c1ccc(F)cc1
Cc1nc(CN(C(=O)CCCn2ccnn2)c2ccc(F)cc2)cs1 Cc1nc(cs1)[*:1] O=C(CCCn1ccnn1)N(C[*:1])c1ccc(F)cc1
Cc1nc(CN(C(=O)CCCn2ccnn2)c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)CN(C(=O)CCCn1ccnn1)[*:1]
Cc1nc(CN(C(=O)CCCn2ccnn2)c2ccc(F)cc2)cs1 c1cn(CC[*:1])nn1 Cc1nc(cs1)CN(C(=O)C[*:1])c1ccc(F)cc1
Cc1nc(CN(C(=O)CCCn2ccnn2)c2ccc(F)cc2)cs1 Cc1nc(cs1)C[*:1] O=C(CCCn1ccnn1)N(c1ccc(F)cc1)[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 CC(C)(C)[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)[C@@H]1CCN(C1)C(=O)O[*:1]
Cc1ccsc1[C@@H]1CCN(C(=O)c2nc3c(s2)CCCC3)C[C@H]1O Cc1ccsc1[*:1] O=C(c1nc2CCCCc2s1)N1CC[C@H]([C@H](O)C1)[*:1]
COc1cccc(/C(C)=C/C(=O)OCCn2ccccc2=O)c1 O=c1ccccn1[*:1] COc1cccc(c1)/C(C)=C/C(=O)OCC[*:1]
O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=c1c2cc(nn2ccn1CC[*:1])-c1ccc(F)cc1
O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=c1c2cc(nn2ccn1C[*:1])-c1ccc(F)cc1
O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)N1CCOCC1 Fc1ccc(cc1)[*:1] O=C(CCn1ccn2nc(cc2c1=O)[*:1])N1CCOCC1
COc1cc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1CC(=O)Nc2[nH]nc(-c3ccccc3)c21
COc1cc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1CC(=O)Nc2[nH]nc(-c3ccccc3)c21
COc1cc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(=O)Nc2[nH]nc(-c3ccccc3)c21
COc1cc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OCc1ccccc1)[C@@H]1CC(=O)Nc2[nH]nc(c21)[*:1]
O=C(C[NH+]1CC=C(c2c[nH]c3ccccc23)CC1)NCCOc1ccccc1 c1ccc(cc1)OCC[*:1] O=C(C[NH+]1CC=C(CC1)c1c[nH]c2ccccc12)N[*:1]
O=C(C[NH+]1CC=C(c2c[nH]c3ccccc23)CC1)NCCOc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CC=C(CC1)c1c[nH]c2ccccc12)NCCO[*:1]
O=C(C[NH+]1CC=C(c2c[nH]c3ccccc23)CC1)NCCOc1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(C[NH+]1CC=C(CC1)[*:1])NCCOc1ccccc1
O=C(C[NH+]1CC=C(c2c[nH]c3ccccc23)CC1)NCCOc1ccccc1 c1ccc(cc1)O[*:1] O=C(C[NH+]1CC=C(CC1)c1c[nH]c2ccccc12)NCC[*:1]
O=C(C[NH+]1CC=C(c2c[nH]c3ccccc23)CC1)NCCOc1ccccc1 c1ccc(cc1)OC[*:1] O=C(C[NH+]1CC=C(CC1)c1c[nH]c2ccccc12)NC[*:1]
CCNC(=O)N1CCc2ccc(NC(=O)N3CCOC[C@@H]3CC(C)C)cc21 CC(C)[*:1] CCNC(=O)N1CCc2ccc(cc21)NC(=O)N1CCOC[C@@H]1C[*:1]
CCNC(=O)N1CCc2ccc(NC(=O)N3CCOC[C@@H]3CC(C)C)cc21 CC(C)C[*:1] CCNC(=O)N1CCc2ccc(cc21)NC(=O)N1CCOC[C@H]1[*:1]
COc1ccc(-n2cc(CNc3ccc(Cl)cc3C#N)nn2)cc1 COc1ccc(cc1)[*:1] N#Cc1cc(Cl)ccc1NCc1cn(nn1)[*:1]
CC(=O)NCCCN(C)C(=O)C1C[C@H](C)O[C@@H](C)C1 CC(=O)N[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(C)CCC[*:1]
CC(=O)NCCCN(C)C(=O)C1C[C@H](C)O[C@@H](C)C1 CC(=O)NC[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(C)CC[*:1]
CC(=O)NCCCN(C)C(=O)C1C[C@H](C)O[C@@H](C)C1 CC(=O)NCC[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(C)C[*:1]
CC1CC[NH+](CC2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1 Fc1ccc(cc1Cl)[*:1] CC1CC[NH+](CC1)CC1CCN(CC1)C(=O)N[*:1]
COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)[C@H]1[NH+]=NC(=O)c2ccccc21 COC(=O)[*:1] O=C1N=[NH+][C@H](C(=O)N[C@@H](CC2C[NH+]=c3ccccc3=2)[*:1])c2ccccc21
O=C(CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1)C1=NC=CC1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2Br)n1C[*:1])C1CC=CN=1
O=C(CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1)C1=NC=CC1 Brc1ccccc1[*:1] O=C(CSc1nnc(n1Cc1ccccc1)[*:1])C1CC=CN=1
O=C(CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1)C1=NC=CC1 c1ccc(cc1)C[*:1] O=C(CSc1nnc(-c2ccccc2Br)n1[*:1])C1CC=CN=1
O=C(N[C@H](CO)c1ccco1)[C@H](O)c1ccccc1Cl c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])[C@H](O)c1ccccc1Cl
CCC[NH+](C)CCCN1CCOCC1 CCC[*:1] C[NH+](CCCN1CCOCC1)[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)C1CCN(CC1)C(=O)N[*:1]
CC[NH2+][C@@H](Cc1cccc(O)c1)Cc1c(F)cccc1Cl Oc1cccc(c1)[*:1] CC[NH2+][C@H](Cc1c(F)cccc1Cl)C[*:1]
CSc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 N#Cc1cccnc1[*:1] CSc1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
CSc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 CSc1ccc(cc1)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)N[*:1]
Cc1noc([C@H]2CCCN(C(=O)COc3ccc(F)c(Cl)c3)C2)n1 Fc1ccc(cc1Cl)[*:1] Cc1noc(n1)[C@H]1CCCN(C1)C(=O)CO[*:1]
Cc1noc([C@H]2CCCN(C(=O)COc3ccc(F)c(Cl)c3)C2)n1 Cc1noc(n1)[*:1] O=C(COc1ccc(F)c(Cl)c1)N1CCC[C@@H](C1)[*:1]
CCCc1c(C[NH2+]C)cnn1[C@@H](C)CC CCC[*:1] CC[C@H](C)n1ncc(C[NH2+]C)c1[*:1]
CCCc1c(C[NH2+]C)cnn1[C@@H](C)CC CC[C@H](C)[*:1] CCCc1c(cnn1[*:1])C[NH2+]C
Cc1cc(NCc2cccc(OC(C)C)c2)n2ncnc2n1 CC(C)[*:1] Cc1cc(NCc2cccc(c2)O[*:1])n2ncnc2n1
Cc1cc(NCc2cccc(OC(C)C)c2)n2ncnc2n1 CC(C)O[*:1] Cc1cc(NCc2cccc(c2)[*:1])n2ncnc2n1
c1ccc([C@@H](CNc2ncnc3ccccc23)N2CCOCC2)cc1 c1ccc(cc1)[*:1] c1ccc2c(ncnc2c1)NC[C@@H](N1CCOCC1)[*:1]
c1ccc([C@@H](CNc2ncnc3ccccc23)N2CCOCC2)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)[C@@H](CNc1ncnc2ccccc12)[*:1]
COc1ccc(O[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(CCl)c1 CS(=O)(=O)[*:1] COc1ccc(O[C@@H]2CCC[C@@H](C2)[*:1])c(c1)CCl
Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NC(=O)NC3CCCC3)[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C(=O)OCC(=O)NC(=O)NC2CCCC2)[C@@H]1[*:1]
Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NC(=O)NC3CCCC3)[C@H]2c2cccs2)cc1 O=C(NC(=O)[*:1])NC1CCCC1 Cc1ccc(cc1)N1C(=O)C[C@@H](C(=O)OC[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NC(=O)NC3CCCC3)[C@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(COC(=O)[C@@H]1CC(=O)N([C@@H]1c1cccs1)[*:1])NC(=O)NC1CCCC1
Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NC(=O)NC3CCCC3)[C@H]2c2cccs2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C(=O)OCC(=O)NC(=O)N[*:1])[C@H]1c1cccs1
CCC(CC)C(=O)Nc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 CCC(CC)C(=O)N[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 NC(=O)[*:1] CCC(CC)C(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 CCC(CC)[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1nnc2ccc(-c3cccc(NC(=O)CCCc4ccccc4)c3)nn12 c1ccc(cc1)C[*:1] Cc1nnc2ccc(nn12)-c1cccc(c1)NC(=O)CC[*:1]
Cc1nnc2ccc(-c3cccc(NC(=O)CCCc4ccccc4)c3)nn12 c1ccc(cc1)[*:1] Cc1nnc2ccc(nn12)-c1cccc(c1)NC(=O)CCC[*:1]
Cc1nnc2ccc(-c3cccc(NC(=O)CCCc4ccccc4)c3)nn12 c1ccc(cc1)CC[*:1] Cc1nnc2ccc(nn12)-c1cccc(c1)NC(=O)C[*:1]
Cc1nnc2ccc(-c3cccc(NC(=O)CCCc4ccccc4)c3)nn12 c1ccc(cc1)CCC[*:1] Cc1nnc2ccc(nn12)-c1cccc(c1)NC(=O)[*:1]
CCSc1cncc(N2CCOC[C@@H]2CC)n1 CCS[*:1] CC[C@H]1COCCN1c1cncc(n1)[*:1]
COc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc4ncccc4c32)ccc1OC(C)=O COc1cc(ccc1OC(C)=O)[*:1] O=C1C[C@H](CC2Nc3ccc4ncccc4c3[C@@H](C=21)[*:1])c1ccccc1
COc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc4ncccc4c32)ccc1OC(C)=O CC(=O)O[*:1] COc1cc(ccc1[*:1])[C@@H]1C2C(=O)C[C@H](CC=2Nc2ccc3ncccc3c21)c1ccccc1
COc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc4ncccc4c32)ccc1OC(C)=O c1ccc(cc1)[*:1] COc1cc(ccc1OC(C)=O)[C@@H]1C2C(=O)C[C@@H](CC=2Nc2ccc3ncccc3c21)[*:1]
COc1ccc(C(=O)NCCNC(=O)Cc2cc(C)on2)cc1 Cc1cc(no1)[*:1] COc1ccc(cc1)C(=O)NCCNC(=O)C[*:1]
COc1ccc(C(=O)NCCNC(=O)Cc2cc(C)on2)cc1 Cc1cc(C[*:1])no1 COc1ccc(cc1)C(=O)NCCNC(=O)[*:1]
Cc1ccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2NC(=O)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]1CN(C[C@H]1NC(=O)[*:1])C(=O)c1ccccc1F
Cc1ccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2NC(=O)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccccc1F)C1CC1
Cc1ccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 Cc1ccc(cc1)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1ccccc1F
Cc1ccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2NC(=O)C2CC2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)[C@@H]1CN(C[C@H]1NC(=O)C1CC1)C(=O)[*:1]
COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCC#N N#CC[*:1] COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1O[*:1]
COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCC#N N#CCO[*:1] COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1[*:1]
CCOc1ccccc1[C@@H](C)[NH2+]Cc1cc(F)cc(OC)c1 CCO[*:1] COc1cc(F)cc(c1)C[NH2+][C@H](C)c1ccccc1[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1Cl c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NNC(=O)c1ccccc1Cl
Cc1ccc(S(=O)(=O)N2CCN(c3cccc(F)c3)C(=O)[C@@H]2C)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(C(=O)[C@@H]1C)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3cccc(F)c3)C(=O)[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1C(=O)N(CCN1S(=O)(=O)[*:1])c1cccc(F)c1
CN(CCCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 c1cnn(c1)[*:1] CN(CCC[*:1])C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2
CN(CCCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 c1cncc(c1)[*:1] CN(CCCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@@H]13)O2
CN(CCCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 c1cnn(c1)CC[*:1] CN(C[*:1])C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2
CN(CCCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 c1cncc(c1)C[*:1] CN(CCCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
CN(CCCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 c1cnn(c1)CCC[*:1] CN(C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2)[*:1]
CN(CCCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 c1cnn(c1)C[*:1] CN(CC[*:1])C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2
Cn1c(CNC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)n[nH]c1=S Cn1c(C[*:1])n[nH]c1=S O=C(N[*:1])[C@H](Oc1ccc(F)c(F)c1)c1ccccc1
Cn1c(CNC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)n[nH]c1=S Fc1ccc(cc1F)O[*:1] Cn1c(CNC(=O)[C@H](c2ccccc2)[*:1])n[nH]c1=S
Cn1c(CNC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)n[nH]c1=S Fc1ccc(cc1F)[*:1] Cn1c(CNC(=O)[C@H](O[*:1])c2ccccc2)n[nH]c1=S
Cn1c(CNC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)n[nH]c1=S c1ccc(cc1)[*:1] Cn1c(CNC(=O)[C@H](Oc2ccc(F)c(F)c2)[*:1])n[nH]c1=S
Cn1c(CNC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)n[nH]c1=S Cn1c(n[nH]c1=S)[*:1] O=C(NC[*:1])[C@H](Oc1ccc(F)c(F)c1)c1ccccc1
CNc1ncccc1C(=O)N(Cc1ccc(OC)c2ccccc12)C(C)C CNc1ncccc1[*:1] COc1ccc(CN(C(=O)[*:1])C(C)C)c2ccccc12
CNc1ncccc1C(=O)N(Cc1ccc(OC)c2ccccc12)C(C)C CC(C)[*:1] CNc1ncccc1C(=O)N(Cc1ccc(OC)c2ccccc12)[*:1]
O=C(NCCNC(=O)c1cccnc1)NCc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NCCNC(=O)c1cccnc1)NCc1cnn(c1)[*:1]
O=C(NCCNC(=O)c1cccnc1)NCc1cnn(-c2ccccc2)c1 c1cncc(c1)[*:1] O=C(NCCNC(=O)[*:1])NCc1cnn(c1)-c1ccccc1
O=C(NCCNC(=O)c1cccnc1)NCc1cnn(-c2ccccc2)c1 O=C(N[*:1])c1cccnc1 O=C(NCC[*:1])NCc1cnn(c1)-c1ccccc1
COc1ccc([C@@H]2CCCN2C(=O)CN2CCOC(C)(C)C2)cc1 COc1ccc(cc1)[*:1] CC1(C)CN(CCO1)CC(=O)N1CCC[C@H]1[*:1]
COc1ccc([C@@H]2CCCN2C(=O)CN2CCOC(C)(C)C2)cc1 CC1(C)CN(CCO1)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)C[*:1]
CC(=O)Nc1cccc(-c2nc(-c3ccc4ncn(C(C)C)c4c3)no2)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)-c1nc(no1)-c1ccc2ncn(c2c1)[*:1]
CC(=O)Nc1cccc(-c2nc(-c3ccc4ncn(C(C)C)c4c3)no2)c1 CC(=O)N[*:1] CC(C)n1cnc2ccc(cc21)-c1noc(n1)-c1cccc(c1)[*:1]
CC(C)Cc1ncc(CN2CCN(c3ncnc4ccsc34)CC2)s1 CC(C)[*:1] c1nc(c2sccc2n1)N1CCN(CC1)Cc1cnc(C[*:1])s1
CC(C)Cc1ncc(CN2CCN(c3ncnc4ccsc34)CC2)s1 CC(C)C[*:1] c1nc(c2sccc2n1)N1CCN(CC1)Cc1cnc(s1)[*:1]
C=C[C@H](C[C@@H](C)CCl)n1nnc2ccccc21 C[C@@H](CCl)C[*:1] C=C[C@H](n1nnc2ccccc21)[*:1]
C=C[C@H](C[C@@H](C)CCl)n1nnc2ccccc21 C[C@@H](CCl)[*:1] C=C[C@H](C[*:1])n1nnc2ccccc21
COC(=O)c1cc(Cl)nc(-c2ccccc2)c1 COC(=O)[*:1] Clc1cc(cc(n1)-c1ccccc1)[*:1]
Cc1ccc2[nH+]c(Cn3nc(-c4ccc(F)cc4)oc3=O)cn2c1 Fc1ccc(cc1)[*:1] Cc1ccc2[nH+]c(cn2c1)Cn1nc(oc1=O)[*:1]
COc1cc(-c2ccc(F)c(C(F)(F)F)c2)ccc1C(=O)[O-] FC(F)(F)[*:1] COc1cc(ccc1C(=O)[O-])-c1ccc(F)c(c1)[*:1]
COc1cc(-c2ccc(F)c(C(F)(F)F)c2)ccc1C(=O)[O-] O=C([O-])[*:1] COc1cc(ccc1[*:1])-c1ccc(F)c(c1)C(F)(F)F
C#CCNCC(=O)N[C@H]1C[C@@H]1c1ccccc1 C#CCNC[*:1] O=C(N[C@H]1C[C@@H]1c1ccccc1)[*:1]
C#CCNCC(=O)N[C@H]1C[C@@H]1c1ccccc1 C#CC[*:1] O=C(CN[*:1])N[C@H]1C[C@@H]1c1ccccc1
C#CCNCC(=O)N[C@H]1C[C@@H]1c1ccccc1 C#CCN[*:1] O=C(C[*:1])N[C@H]1C[C@@H]1c1ccccc1
COCCN1CCN(C(=O)c2ccc(C)cc2Br)CC1=O COC[*:1] Cc1ccc(C(=O)N2CCN(C[*:1])C(=O)C2)c(Br)c1
COCCN1CCN(C(=O)c2ccc(C)cc2Br)CC1=O COCC[*:1] Cc1ccc(C(=O)N2CCN(C(=O)C2)[*:1])c(Br)c1
CCC[NH2+][C@@H]1CC[C@@H](N(CC(F)(F)F)C2CC2)C1 CCC[*:1] FC(F)(F)CN(C1CC1)[C@@H]1CC[C@H](C1)[NH2+][*:1]
CCC[NH2+][C@@H]1CC[C@@H](N(CC(F)(F)F)C2CC2)C1 FC(F)(F)[*:1] CCC[NH2+][C@@H]1CC[C@H](C1)N(C[*:1])C1CC1
CCC[NH2+][C@@H]1CC[C@@H](N(CC(F)(F)F)C2CC2)C1 FC(F)(F)C[*:1] CCC[NH2+][C@@H]1CC[C@H](C1)N(C1CC1)[*:1]
CCC[NH2+][C@@H]1CC[C@@H](N(CC(F)(F)F)C2CC2)C1 C1CC1[*:1] CCC[NH2+][C@@H]1CC[C@H](C1)N(CC(F)(F)F)[*:1]
CC[C@@H]1CCCCN1C(=O)c1cc(C)nc2c1cnn2-c1ccccc1F Fc1ccccc1[*:1] CC[C@@H]1CCCCN1C(=O)c1cc(C)nc2c1cnn2[*:1]
CCN(CCC#N)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 N#CCC[*:1] CCN(S(=O)(=O)c1ccc2CCN(C(C)=O)c2c1)[*:1]
CCN(CCC#N)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 N#CC[*:1] CCN(C[*:1])S(=O)(=O)c1ccc2CCN(C(C)=O)c2c1
C/[NH+]=C(/NCCc1csc(C)n1)NCc1ccsc1 Cc1nc(cs1)[*:1] C/[NH+]=C(/NCC[*:1])NCc1ccsc1
C/[NH+]=C(/NCCc1csc(C)n1)NCc1ccsc1 c1cc(cs1)C[*:1] C/[NH+]=C(/NCCc1csc(C)n1)N[*:1]
C/[NH+]=C(/NCCc1csc(C)n1)NCc1ccsc1 c1cc(cs1)[*:1] C/[NH+]=C(/NCCc1csc(C)n1)NC[*:1]
Cc1ccc(C(=O)CSc2ccc(NC(=O)C3CC3)nn2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1ccc(nn1)SCC(=O)[*:1])C1CC1
Cc1ccc(C(=O)CSc2ccc(NC(=O)C3CC3)nn2)c(C)c1 O=C(N[*:1])C1CC1 Cc1ccc(C(=O)CSc2ccc(nn2)[*:1])c(C)c1
Cc1ccc(C(=O)CSc2ccc(NC(=O)C3CC3)nn2)c(C)c1 C1CC1[*:1] Cc1ccc(C(=O)CSc2ccc(nn2)NC(=O)[*:1])c(C)c1
NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1c1ccc(S(N)(=O)=O)cc1 Fc1ccc(cc1)[*:1] NC1=C(C(=O)CN1c1ccc(cc1)S(N)(=O)=O)c1nc(cs1)[*:1]
NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] NC1=C(C(=O)CN1c1ccc(cc1)[*:1])c1nc(cs1)-c1ccc(F)cc1
CC(C)Cc1ccc(CC(=O)Nc2ncn[n-]2)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)C[*:1])Nc1ncn[n-]1
CC(C)Cc1ccc(CC(=O)Nc2ncn[n-]2)cc1 CC(C)C[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ncn[n-]1
O=C(CNc1cccc([N+](=O)[O-])c1)N1N=C(c2ccco2)C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(CNc1cccc(c1)[N+](=O)[O-])N1N=C(C[C@@H]1[*:1])c1ccco1
O=C(CNc1cccc([N+](=O)[O-])c1)N1N=C(c2ccco2)C[C@H]1c1ccco1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(CN[*:1])N1N=C(C[C@H]1c1ccco1)c1ccco1
O=C(CNc1cccc([N+](=O)[O-])c1)N1N=C(c2ccco2)C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(CNc1cccc(c1)[N+](=O)[O-])N1N=C(C[C@H]1c1ccco1)[*:1]
O=C(CNc1cccc([N+](=O)[O-])c1)N1N=C(c2ccco2)C[C@H]1c1ccco1 O=[N+]([O-])[*:1] O=C(CNc1cccc(c1)[*:1])N1N=C(C[C@H]1c1ccco1)c1ccco1
Cc1noc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 Cc1noc(n1)[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Cc1noc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 Cc1noc(C[*:1])n1 O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Cc1noc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 FC(F)(F)[*:1] Cc1noc(CNC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)[*:1])n1
COc1ccc(CNC(=O)N2CCN(c3ncccc3F)CC2)cc1C Fc1cccnc1[*:1] COc1ccc(cc1C)CNC(=O)N1CCN(CC1)[*:1]
Cc1cc(C)cc(OCC/C([O-])=N/S(=O)(=O)c2ccccc2F)c1 Cc1cc(C)cc(c1)[*:1] O=S(=O)(/N=C(\[O-])CCO[*:1])c1ccccc1F
Cc1cc(C)cc(OCC/C([O-])=N/S(=O)(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1cc(C)cc(c1)OCC/C([O-])=N/S(=O)(=O)[*:1]
COC(=O)c1cc(=O)[n+](Cc2cccs2)c(NCc2cccs2)s1 c1csc(c1)[*:1] COC(=O)c1cc(=O)[n+](Cc2cccs2)c(NC[*:1])s1
COC(=O)c1cc(=O)[n+](Cc2cccs2)c(NCc2cccs2)s1 COC(=O)[*:1] O=c1cc(sc(NCc2cccs2)[n+]1Cc1cccs1)[*:1]
COC(=O)c1cc(=O)[n+](Cc2cccs2)c(NCc2cccs2)s1 c1csc(c1)C[*:1] COC(=O)c1cc(=O)[n+](Cc2cccs2)c(N[*:1])s1
COC(=O)c1cc(=O)[n+](Cc2cccs2)c(NCc2cccs2)s1 c1csc(c1)[*:1] COC(=O)c1cc(=O)[n+](C[*:1])c(NCc2cccs2)s1
COC(=O)c1cc(=O)[n+](Cc2cccs2)c(NCc2cccs2)s1 c1csc(c1)C[*:1] COC(=O)c1cc(=O)[n+](c(NCc2cccs2)s1)[*:1]
COC(=O)c1cc(=O)[n+](Cc2cccs2)c(NCc2cccs2)s1 c1csc(c1)CN[*:1] COC(=O)c1cc(=O)[n+](Cc2cccs2)c(s1)[*:1]
CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nnc(-c2ccno2)o1 c1cc(on1)[*:1] CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nnc(o1)[*:1]
O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)NCc1ccco1 O=C(C[*:1])NCc1ccco1 O=C(c1ccc2c(c1)N(C(=O)[C@@H]1CCCCN21)[*:1])N1CCCC1
O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)NCc1ccco1 O=C(N1CCCC1)[*:1] O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)[*:1])NCc1ccco1
O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=C(c1ccc2c(c1)N(C[*:1])C(=O)[C@@H]1CCCCN21)N1CCCC1
O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)NCc1ccco1 c1coc(c1)C[*:1] O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)C(=O)N1CCCC1)N[*:1]
O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21)NCc1ccco1 c1coc(c1)[*:1] O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)C(=O)N1CCCC1)NC[*:1]
C[C@H](Sc1ccccc1)C(=O)N(C)Cc1nc2ccccc2s1 c1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)N(C)Cc1nc2ccccc2s1
C[C@H](Sc1ccccc1)C(=O)N(C)Cc1nc2ccccc2s1 c1ccc(cc1)S[*:1] C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[*:1]
CCc1nc2n(n1)C[C@H]([NH2+]Cc1nc(-c3ccccn3)no1)CC2 c1ccc(nc1)[*:1] CCc1nc2CC[C@H](Cn2n1)[NH2+]Cc1nc(no1)[*:1]
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)NCCc1ccccc1F Fc1ccccc1[*:1] Cn1cnc(c1S(=O)(=O)NCC[*:1])[N+](=O)[O-]
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)NCCc1ccccc1F O=[N+]([O-])[*:1] Cn1cnc(c1S(=O)(=O)NCCc1ccccc1F)[*:1]
CCCCNC(=O)Cc1ccc2ccccc2c1 CCCC[*:1] O=C(Cc1ccc2ccccc2c1)N[*:1]
CCCCNC(=O)Cc1ccc2ccccc2c1 CCC[*:1] O=C(Cc1ccc2ccccc2c1)NC[*:1]
O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C(CN1C(=O)C(=O)N(C1=O)C1CCCC1)N[*:1]
O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(F)cc1Cl C1CCC(C1)[*:1] O=C(CN1C(=O)C(=O)N(C1=O)[*:1])Nc1ccc(F)cc1Cl
COc1cc(NC(=O)Cc2c(F)cccc2F)cc(OC)c1OC Fc1cccc(F)c1[*:1] COc1cc(cc(OC)c1OC)NC(=O)C[*:1]
Cc1cccc(C)c1-n1nnnc1C[S@](=O)Cc1noc(C(C)C)n1 CC(C)[*:1] Cc1cccc(C)c1-n1nnnc1C[S@](=O)Cc1noc(n1)[*:1]
Cc1cccc(C)c1-n1nnnc1C[S@](=O)Cc1noc(C(C)C)n1 Cc1cccc(C)c1[*:1] CC(C)c1nc(C[S@@](=O)Cc2nnnn2[*:1])no1
Cc1cccc(C)c1-n1nnnc1C[S@](=O)Cc1noc(C(C)C)n1 CC(C)c1nc(no1)[*:1] Cc1cccc(C)c1-n1nnnc1C[S@](=O)C[*:1]
CCc1ncnc(N2CCC(OCc3ccccc3OC)CC2)c1F COc1ccccc1[*:1] CCc1ncnc(c1F)N1CCC(CC1)OC[*:1]
Cc1cc(O)ccc1NCc1cccc(C2CC2)c1 C1CC1[*:1] Cc1cc(O)ccc1NCc1cccc(c1)[*:1]
O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CCCCC2)nc1 c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1ccc(nc1)NC(=O)C1CCCCC1
O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CCCCC2)nc1 c1ccc(cc1)CC[*:1] O=C(Nc1ccc(cn1)NC(=O)[*:1])C1CCCCC1
O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CCCCC2)nc1 C1CCC(CC1)[*:1] O=C(CCc1ccccc1)Nc1ccc(nc1)NC(=O)[*:1]
O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CCCCC2)nc1 c1ccc(cc1)C[*:1] O=C(C[*:1])Nc1ccc(nc1)NC(=O)C1CCCCC1
C[C@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3CCCN1CCOCC1 C1CN(CCO1)[*:1] C[C@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3CCC[*:1]
C[C@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3CCCN1CCOCC1 C(CN1CCOCC1)C[*:1] C[C@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3[*:1]
C[C@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3CCCN1CCOCC1 C1CN(CCO1)CC[*:1] C[C@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3C[*:1]
C[C@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3CCCN1CCOCC1 C1CN(CCO1)C[*:1] C[C@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3CC[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)NCCCNS(C)(=O)=O CS(=O)(=O)NCC[*:1] C[C@H](c1ccc(F)cc1)N(C)C(=O)NC[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)NCCCNS(C)(=O)=O Fc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)NCCCNS(C)(=O)=O)[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)NCCCNS(C)(=O)=O CS(=O)(=O)N[*:1] C[C@H](c1ccc(F)cc1)N(C)C(=O)NCCC[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)NCCCNS(C)(=O)=O CS(=O)(=O)NC[*:1] C[C@H](c1ccc(F)cc1)N(C)C(=O)NCC[*:1]
CC(C)(C)c1ncc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)s1 CC(C)(C)[*:1] O=C(c1cnc(s1)[*:1])N1CCN(CC1)[C@H]1CCC[C@H]1O
Cc1cccc(C)c1NC(=O)CCCN1CCOC[C@@H]1C1CC1 C1CC1[*:1] Cc1cccc(C)c1NC(=O)CCCN1CCOC[C@H]1[*:1]
COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@@H]1CCC[C@@H](C)C1 C[C@@H]1CCC[C@H](C1)[*:1] COc1ccc2c(c1)CCC[C@H]2CC(=O)N[*:1]
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C\c1ccco1 Clc1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N/N=C\c1ccco1
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C\c1ccco1 c1coc(c1)[*:1] O=C(CNC(=O)c1ccc(Cl)cc1)NN=C[*:1]
COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] COC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 COC(=O)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1n[nH]c(SCCC(=O)NCc2ccc(Br)s2)n1 Cc1n[nH]c(n1)[*:1] O=C(CCS[*:1])NCc1ccc(Br)s1
Cc1n[nH]c(SCCC(=O)NCc2ccc(Br)s2)n1 Brc1ccc(s1)[*:1] Cc1n[nH]c(n1)SCCC(=O)NC[*:1]
Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cc1c(nc(N)c(C#N)c1-c1ccc(cc1)[*:1])-c1cnn(C)c1
Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(C(=O)[O-])cc1 Cn1cc(cn1)[*:1] Cc1c(nc(N)c(C#N)c1-c1ccc(cc1)C(=O)[O-])[*:1]
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCOC[C@H]2C(N)=O)c1 CC(C)[*:1] Cc1ccc(c(c1)O[C@H](C)C(=O)N1CCOC[C@H]1C(N)=O)[*:1]
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCOC[C@H]2C(N)=O)c1 NC(=O)[*:1] Cc1ccc(c(c1)O[C@H](C)C(=O)N1CCOC[C@@H]1[*:1])C(C)C
Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1-n1c(C)nnc1SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2C)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)CSc1nnc(C)n1[*:1]
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1SCCc2sccc21 CC[C@@H](C)NC(=O)[*:1] O=C([C@H]1SCCc2sccc21)N1CSC[C@@H]1[*:1]
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1SCCc2sccc21 CC[C@@H](C)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)[C@H]1SCCc2sccc21
CC(C)[NH+]1CCN(CC(=O)Nc2ccccc2Br)CC1 CC(C)[*:1] O=C(CN1CC[NH+](CC1)[*:1])Nc1ccccc1Br
O=C(CCn1ccc(=O)[nH]c1=O)NCc1cc(-c2ccc3c(c2)OCCO3)on1 O=c1ccn(c(=O)[nH]1)[*:1] O=C(CC[*:1])NCc1cc(on1)-c1ccc2OCCOc2c1
O=C(CCn1ccc(=O)[nH]c1=O)NCc1cc(-c2ccc3c(c2)OCCO3)on1 O=c1ccn(C[*:1])c(=O)[nH]1 O=C(C[*:1])NCc1cc(on1)-c1ccc2OCCOc2c1
COC(=O)c1ccccc1NC(=O)NCc1cccs1 c1csc(c1)[*:1] COC(=O)c1ccccc1NC(=O)NC[*:1]
COC(=O)c1ccccc1NC(=O)NCc1cccs1 c1csc(c1)C[*:1] COC(=O)c1ccccc1NC(=O)N[*:1]
COC(=O)c1ccccc1NC(=O)NCc1cccs1 COC(=O)[*:1] O=C(NCc1cccs1)Nc1ccccc1[*:1]
COC(=O)c1ccc(NC(=O)Cn2ncccc2=O)cc1 O=c1cccnn1[*:1] COC(=O)c1ccc(cc1)NC(=O)C[*:1]
COC(=O)c1ccc(NC(=O)Cn2ncccc2=O)cc1 COC(=O)[*:1] O=C(Cn1ncccc1=O)Nc1ccc(cc1)[*:1]
Cc1cc(NC(=O)CN(C)C(=O)Cn2nnc(-c3ccc(F)c(C)c3)n2)no1 Cc1cc(no1)NC(=O)[*:1] Cc1cc(ccc1F)-c1nnn(CC(=O)N(C)C[*:1])n1
Cc1cc(NC(=O)CN(C)C(=O)Cn2nnc(-c3ccc(F)c(C)c3)n2)no1 Cc1cc(ccc1F)[*:1] Cc1cc(no1)NC(=O)CN(C)C(=O)Cn1nnc(n1)[*:1]
Cc1cc(NC(=O)CN(C)C(=O)Cn2nnc(-c3ccc(F)c(C)c3)n2)no1 Cc1cc(no1)[*:1] Cc1cc(ccc1F)-c1nnn(CC(=O)N(C)CC(=O)N[*:1])n1
COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)[*:1]
Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cc(ccc1OC[C@H](O)CN1CCN(CC1)C(=O)[*:1])C(C)(C)C
Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCN(C(=O)c2ccccc2)CC1 CC(C)(C)[*:1] Cc1cc(ccc1OC[C@H](O)CN1CCN(CC1)C(=O)c1ccccc1)[*:1]
O=C(CCc1cccc(F)c1)NC[C@H]1C[C@]12CCc1ccccc12 Fc1cccc(c1)C[*:1] O=C(C[*:1])NC[C@H]1C[C@]12CCc1ccccc12
O=C(CCc1cccc(F)c1)NC[C@H]1C[C@]12CCc1ccccc12 Fc1cccc(c1)[*:1] O=C(CC[*:1])NC[C@H]1C[C@]12CCc1ccccc12
O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCCOc1ccc(nn1)-c1ccc(F)cc1)N[*:1]
O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)Nc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(NCCOc1ccc(nn1)[*:1])Nc1ccc(Cl)cc1
CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)C2)c1 CC(C)[*:1] C[C@@H]1CCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)C2)c1 CC(C)NS(=O)(=O)[*:1] C[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
COC(=O)[C@@H](NCc1cnc(-c2cccc(C)c2)nc1)c1ccccc1 Cc1cccc(c1)[*:1] COC(=O)[C@@H](NCc1cnc(nc1)[*:1])c1ccccc1
COC(=O)[C@@H](NCc1cnc(-c2cccc(C)c2)nc1)c1ccccc1 COC(=O)[*:1] Cc1cccc(c1)-c1ncc(cn1)CN[C@@H](c1ccccc1)[*:1]
COC(=O)[C@@H](NCc1cnc(-c2cccc(C)c2)nc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](NCc1cnc(nc1)-c1cccc(C)c1)[*:1]
O=C([O-])[C@H]1CCCN(c2ncccn2)C1 O=C([O-])[*:1] c1cnc(nc1)N1CCC[C@@H](C1)[*:1]
CCOc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 CCO[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CCOc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 CCOc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N[C@H](C)[*:1]
COc1cc(OC)c(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1Cl Cc1noc(c1C)[*:1] COc1cc(OC)c(cc1Cl)NS(=O)(=O)c1cc(ccc1C)[*:1]
CNC(=O)COC(=O)CCOc1c(C)cccc1C CNC(=O)[*:1] Cc1cccc(C)c1OCCC(=O)OC[*:1]
CNC(=O)COC(=O)CCOc1c(C)cccc1C CNC(=O)C[*:1] Cc1cccc(C)c1OCCC(=O)O[*:1]
O=S(=O)(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(/C=C/c1ccc2OCOc2c1)NC[*:1]
Cc1ccc(CCCC(=O)N(C)[C@@H](C)Cc2ccsc2)s1 Cc1ccc(C[*:1])s1 C[C@@H](Cc1ccsc1)N(C)C(=O)CC[*:1]
Cc1ccc(CCCC(=O)N(C)[C@@H](C)Cc2ccsc2)s1 Cc1ccc(s1)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)CCC[*:1]
Cc1ccc(CCCC(=O)N(C)[C@@H](C)Cc2ccsc2)s1 c1cc(cs1)C[*:1] Cc1ccc(CCCC(=O)N(C)[C@@H](C)[*:1])s1
Cc1ccc(CCCC(=O)N(C)[C@@H](C)Cc2ccsc2)s1 c1cc(cs1)[*:1] Cc1ccc(CCCC(=O)N(C)[C@@H](C)C[*:1])s1
CCOc1ccc(CC(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])NC[C@@H]1COC2(CCCCC2)O1
Cc1nn(CCCl)c(C)c1C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ClCC[*:1] Cc1nn(c(C)c1C(=O)N(C)[C@@H]1CCC[C@@H](C)C1)[*:1]
Cc1ccccc1[C@@H](C#N)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1ccccc1[C@@H](C#N)NC(=O)CN(C)S(=O)(=O)[*:1]
Cc1ccccc1[C@@H](C#N)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 Cc1ccccc1[*:1] CN(CC(=O)N[C@H](C#N)[*:1])S(=O)(=O)c1ccc(Cl)s1
C[C@H]1COc2ccccc2N1CC1(CO)COC1 OCC1(COC1)[*:1] C[C@H]1COc2ccccc2N1C[*:1]
COc1ccc(-c2cc(COC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)no2)cc1OC COc1ccc(cc1OC)[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCc1cc(on1)[*:1]
C/C(=C/C(=O)O[C@H](C)Cn1cccn1)C(C)(C)C c1cnn(c1)[*:1] C/C(=C/C(=O)O[C@H](C)C[*:1])C(C)(C)C
C/C(=C/C(=O)O[C@H](C)Cn1cccn1)C(C)(C)C c1cnn(c1)C[*:1] C/C(=C/C(=O)O[C@H](C)[*:1])C(C)(C)C
C/C(=C/C(=O)O[C@H](C)Cn1cccn1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)O[C@H](C)Cn1cccn1)[*:1]
CC[C@@H](Nc1cc(C)nc(COC)n1)c1cc(F)ccc1F COC[*:1] CC[C@@H](Nc1cc(C)nc(n1)[*:1])c1cc(F)ccc1F
COc1ccc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
C[C@@H](Nc1c(F)c(F)nc(F)c1F)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](Nc1c(F)c(F)nc(F)c1F)[*:1]
CN(C)C(=O)[C@H]1CC[C@@H](CNc2nc(N)c3ccccc3[nH+]2)O1 CN(C)C(=O)[*:1] Nc1nc(NC[C@@H]2CC[C@@H](O2)[*:1])[nH+]c2ccccc12
CC(=O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1C CC(=O)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[*:1]
CC(=O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1C C[C@@H]1C[C@H]1[*:1] CC(=O)C[C@H]1CCCN1C(=O)[*:1]
CC(=O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1C CC(=O)C[*:1] C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1[*:1]
COc1cccc([C@@H](CO)NC(=O)c2c(Cl)nc3ccccn23)c1 COc1cccc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1c(Cl)nc2ccccn12
CC(C)(C)[C@@H]1CCC(=O)[C@H](CCC(F)(F)F)C1 FC(F)(F)[*:1] CC(C)(C)[C@@H]1CCC(=O)[C@H](CC[*:1])C1
CC(C)(C)[C@@H]1CCC(=O)[C@H](CCC(F)(F)F)C1 FC(F)(F)C[*:1] CC(C)(C)[C@@H]1CCC(=O)[C@@H](C1)C[*:1]
CC(C)(C)[C@@H]1CCC(=O)[C@H](CCC(F)(F)F)C1 CC(C)(C)[*:1] O=C1CC[C@H](C[C@H]1CCC(F)(F)F)[*:1]
COc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)OC)[C@H]1Nc2ccccc2C(=O)N1NC(=O)c1ccc(cc1)[*:1]
COc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1Nc2ccccc2C(=O)N1NC(=O)[*:1]
COc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(NN1C(=O)c2ccccc2N[C@@H]1[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1cccc2ccccc12 O=C(N1CCCCCC1)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1cccc2ccccc12
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(F)cc1Br Cc1n[nH]c(C)c1[*:1] O=C(Nc1ccc(F)cc1Br)N1CCC[C@@H]1[*:1]
COCCC(=O)N1CCO[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)N(C)C)C1 CN(C)C(=O)[*:1] COCCC(=O)N1CCO[C@](Cc2cccc(c2)-c2ccc(C)cc2)(C1)[*:1]
COCCC(=O)N1CCO[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)N(C)C)C1 COC[*:1] Cc1ccc(cc1)-c1cccc(c1)C[C@]1(CN(CCO1)C(=O)C[*:1])C(=O)N(C)C
COCCC(=O)N1CCO[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)N(C)C)C1 COCC[*:1] Cc1ccc(cc1)-c1cccc(c1)C[C@]1(CN(CCO1)C(=O)[*:1])C(=O)N(C)C
COCCC(=O)N1CCO[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)N(C)C)C1 Cc1ccc(cc1)[*:1] COCCC(=O)N1CCO[C@@](Cc2cccc(c2)[*:1])(C1)C(=O)N(C)C
C[C@H]1CC[C@@H](C)N1C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] C[C@H]1CC[C@@H](C)N1C(=O)c1cnc(cn1)[*:1]
C[C@H]1CC[C@@H](C)N1C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] C[C@H]1CC[C@@H](C)N1C(=O)c1cnc(cn1)O[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 O=C([O-])[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(c1)[*:1]
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1c(C)nn(CC)c1Cl Cc1ccc(cc1)[*:1] CCN(C[C@H](O)[*:1])C(=O)c1c(C)nn(CC)c1Cl
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1ccc(=O)n(c1)C[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(=O)n(c1)Cc1cccc(Cl)c1
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 Clc1cccc(c1)C[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1ccc(=O)n(c1)[*:1]
COCCNCc1cc(=O)nc([C@H]2C[NH+]3CCN2CC3)[nH]1 COC[*:1] O=c1cc(CNC[*:1])[nH]c(n1)[C@H]1C[NH+]2CCN1CC2
COCCNCc1cc(=O)nc([C@H]2C[NH+]3CCN2CC3)[nH]1 COCCN[*:1] O=c1cc(C[*:1])[nH]c(n1)[C@H]1C[NH+]2CCN1CC2
COCCNCc1cc(=O)nc([C@H]2C[NH+]3CCN2CC3)[nH]1 COCC[*:1] O=c1cc(CN[*:1])[nH]c(n1)[C@H]1C[NH+]2CCN1CC2
COCCNCc1cc(=O)nc([C@H]2C[NH+]3CCN2CC3)[nH]1 COCCNC[*:1] O=c1cc([nH]c(n1)[C@H]1C[NH+]2CCN1CC2)[*:1]
C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(c2ccccc2F)N1C1CC1 Fc1ccccc1[*:1] C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(N1C1CC1)[*:1]
C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(c2ccccc2F)N1C1CC1 C1CC1[*:1] C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(c2ccccc2F)N1[*:1]
CCn1c([C@H](C)N[C@H](c2cc(F)ccc2F)C2CC2)nc2ccccc21 Fc1ccc(F)c(c1)[*:1] CCn1c(nc2ccccc21)[C@H](C)N[C@H](C1CC1)[*:1]
CCn1c([C@H](C)N[C@H](c2cc(F)ccc2F)C2CC2)nc2ccccc21 C1CC1[*:1] CCn1c(nc2ccccc21)[C@H](C)N[C@H](c1cc(F)ccc1F)[*:1]
Cc1noc(C)c1C[C@H](C)NC(=O)c1ccc2[nH]c(=S)oc2c1 Cc1noc(C)c1[*:1] C[C@@H](C[*:1])NC(=O)c1ccc2[nH]c(=S)oc2c1
CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CCO1 COc1ccc(cc1)[*:1] CC[C@@H]1CN(CCO1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
COc1ccc(N)c(SCC(F)F)c1 FC(F)C[*:1] COc1ccc(N)c(c1)S[*:1]
COc1ccc(N)c(SCC(F)F)c1 FC(F)[*:1] COc1ccc(N)c(c1)SC[*:1]
CC(C)[NH+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCOCC1 CC(C)[*:1] O=C(C[NH+](C1CCOCC1)[*:1])Nc1ccc2OC3(CCCC3)Oc2c1
CC(C)c1nnc([O-])c2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] CC(C)c1nnc([O-])c2c1cnn2[*:1]
CC(C)c1nnc([O-])c2c1cnn2-c1ccccc1 CC(C)[*:1] [O-]c1nnc(c2cnn(-c3ccccc3)c12)[*:1]
CCOCCN(C)C(=O)C(=O)Nc1ccc(C)nc1 CCOC[*:1] Cc1ccc(cn1)NC(=O)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)C(=O)Nc1ccc(C)nc1 CCOCC[*:1] Cc1ccc(cn1)NC(=O)C(=O)N(C)[*:1]
CCOCCN(C)C(=O)C(=O)Nc1ccc(C)nc1 CCO[*:1] Cc1ccc(cn1)NC(=O)C(=O)N(C)CC[*:1]
C[NH2+]Cc1sc(N(C)Cc2ccc(Cl)s2)nc1C(C)C CC(C)[*:1] C[NH2+]Cc1sc(nc1[*:1])N(C)Cc1ccc(Cl)s1
C[NH2+]Cc1sc(N(C)Cc2ccc(Cl)s2)nc1C(C)C Clc1ccc(s1)[*:1] C[NH2+]Cc1sc(nc1C(C)C)N(C)C[*:1]
CCN1CCN(C(=O)CC[C@H]2NN[C@H](CCc3c[nH]c4ccccc34)O2)[C@@H](C)C1=O c1ccc2c(c[nH]c2c1)C[*:1] CCN1CCN(C(=O)CC[C@H]2NN[C@H](C[*:1])O2)[C@@H](C)C1=O
CCN1CCN(C(=O)CC[C@H]2NN[C@H](CCc3c[nH]c4ccccc34)O2)[C@@H](C)C1=O c1ccc2c(c[nH]c2c1)[*:1] CCN1CCN(C(=O)CC[C@H]2NN[C@H](CC[*:1])O2)[C@@H](C)C1=O
Cc1csc(-c2ccc(NC(=O)CCCOc3cccnc3)cc2)n1 c1cncc(c1)OC[*:1] Cc1csc(n1)-c1ccc(cc1)NC(=O)CC[*:1]
Cc1csc(-c2ccc(NC(=O)CCCOc3cccnc3)cc2)n1 c1cncc(c1)[*:1] Cc1csc(n1)-c1ccc(cc1)NC(=O)CCCO[*:1]
Cc1csc(-c2ccc(NC(=O)CCCOc3cccnc3)cc2)n1 c1cncc(c1)O[*:1] Cc1csc(n1)-c1ccc(cc1)NC(=O)CCC[*:1]
Cc1csc(-c2ccc(NC(=O)CCCOc3cccnc3)cc2)n1 Cc1csc(n1)[*:1] O=C(CCCOc1cccnc1)Nc1ccc(cc1)[*:1]
Cc1ccc(CC(=O)OCC(=O)Nc2cccc(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(NC(=O)COC(=O)C[*:1])c1C
COC(=O)[C@](C)(Nc1ccc(F)cc1)C1(C)CC1 CC1(CC1)[*:1] COC(=O)[C@](C)(Nc1ccc(F)cc1)[*:1]
COC(=O)[C@](C)(Nc1ccc(F)cc1)C1(C)CC1 COC(=O)[*:1] CC1(CC1)[C@](C)(Nc1ccc(F)cc1)[*:1]
N#C[C@@H](C(=O)c1ccoc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 c1cc(co1)[*:1] N#C[C@@H](C(=O)[*:1])c1nc2sc3CCCCc3c2c(=O)[nH]1
N#C[C@@H](C(=O)c1ccoc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 O=C(c1ccoc1)[*:1] N#C[C@@H](c1nc2sc3CCCCc3c2c(=O)[nH]1)[*:1]
N#CCCN(CC1CC1)C(=O)CNC(=O)c1cccc(F)c1 N#CCC[*:1] O=C(NCC(=O)N(CC1CC1)[*:1])c1cccc(F)c1
N#CCCN(CC1CC1)C(=O)CNC(=O)c1cccc(F)c1 C1CC1C[*:1] N#CCCN(C(=O)CNC(=O)c1cccc(F)c1)[*:1]
N#CCCN(CC1CC1)C(=O)CNC(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] N#CCCN(CC1CC1)C(=O)CNC(=O)[*:1]
N#CCCN(CC1CC1)C(=O)CNC(=O)c1cccc(F)c1 C1CC1[*:1] N#CCCN(C[*:1])C(=O)CNC(=O)c1cccc(F)c1
N#CCCN(CC1CC1)C(=O)CNC(=O)c1cccc(F)c1 N#CC[*:1] O=C(NCC(=O)N(CC1CC1)C[*:1])c1cccc(F)c1
NC(=O)Cn1cc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)nn1 FC(F)[*:1] NC(=O)Cn1cc(nn1)C(=O)N[C@H]1CCCc2cc(ccc21)O[*:1]
NC(=O)Cn1cc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)nn1 NC(=O)C[*:1] O=C(N[C@H]1CCCc2cc(ccc21)OC(F)F)c1cn(nn1)[*:1]
NC(=O)Cn1cc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)nn1 FC(F)O[*:1] NC(=O)Cn1cc(nn1)C(=O)N[C@H]1CCCc2cc(ccc21)[*:1]
NC(=O)Cn1cc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)nn1 NC(=O)[*:1] O=C(N[C@H]1CCCc2cc(ccc21)OC(F)F)c1cn(C[*:1])nn1
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCc3ccccn3)C2)CC1 c1ccc(nc1)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NC[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCc3ccccn3)C2)CC1 c1ccc(C[*:1])nc1 C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)N[*:1]
COc1cc([C@H]2C3=C(Nc4c2c(=O)n(C)c(=O)n4C)c2ccccc2C3=O)ccc1OC(C)=O CC(=O)O[*:1] COc1cc(ccc1[*:1])[C@H]1C2C(=O)c3ccccc3C=2Nc2c1c(=O)n(C)c(=O)n2C
CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2C(=O)[O-])S/C1=N\c1nccs1 c1csc(n1)[*:1] CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2C(=O)[O-])SC1=N[*:1]
CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2C(=O)[O-])S/C1=N\c1nccs1 O=C([O-])[*:1] CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2[*:1])S/C1=N\c1nccs1
CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2C(=O)[O-])S/C1=N\c1nccs1 CCC[*:1] COc1ccc(/C=C2/S/C(=N\c3nccs3)N(C2=O)[*:1])c(C(=O)[O-])c1OC
COc1ccc([C@@H]2C=C(c3ccc(C)cc3)N=C3NN=NN32)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1C=C(N=C2NN=NN21)[*:1]
O=C(Nc1cccn(Cc2ccccc2)c1=O)C(=O)N[C@@H]1CCCC[C@@H]1O c1ccc(cc1)[*:1] O=C(Nc1cccn(C[*:1])c1=O)C(=O)N[C@@H]1CCCC[C@@H]1O
O=C(Nc1cccn(Cc2ccccc2)c1=O)C(=O)N[C@@H]1CCCC[C@@H]1O c1ccc(cc1)C[*:1] O=C(Nc1cccn(c1=O)[*:1])C(=O)N[C@@H]1CCCC[C@@H]1O
COc1cccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)NC(=S)Nc1ccc2nn(nc2c1)[*:1]
COc1cccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 COc1cccc(c1)[*:1] O=C(NC(=S)Nc1ccc2nn(nc2c1)-c1ccccc1)[*:1]
COc1cccc(-c2nnc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)o2)c1 O=S(=O)(N[*:1])c1ccccc1 COc1cccc(c1)-c1nnc(NC(=O)c2ccccc2[*:1])o1
COc1cccc(-c2nnc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)o2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1nnc(NC(=O)c2ccccc2NS(=O)(=O)[*:1])o1
COc1cccc(-c2nnc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)o2)c1 COc1cccc(c1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccccc1NS(=O)(=O)c1ccccc1
CC(=O)c1cc2ccc(OC(=O)c3cccc(C)c3)cc2oc1=O Cc1cccc(c1)[*:1] CC(=O)c1cc2ccc(cc2oc1=O)OC(=O)[*:1]
CC(=O)c1cc2ccc(OC(=O)c3cccc(C)c3)cc2oc1=O CC(=O)[*:1] Cc1cccc(c1)C(=O)Oc1ccc2cc(c(=O)oc2c1)[*:1]
CCOC(=O)C1CCN(C(=O)C2CCN(c3c(C#N)cnc4cc(OC)c(OC)cc34)CC2)CC1 CCOC(=O)[*:1] COc1cc2ncc(C#N)c(c2cc1OC)N1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2ccc(cc2)C[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 CC(C)Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)Cc1ccc(cc1)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 CC(C)C[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2ccc(cc2)[*:1])C1=O
O=C1c2ccccc2N[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1c1ccncc1 c1cc(ccn1)[*:1] O=C1c2ccccc2N[C@H](c2ccc(O)c(c2)[N+](=O)[O-])N1[*:1]
O=C1c2ccccc2N[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1c1ccncc1 O=[N+]([O-])[*:1] O=C1c2ccccc2N[C@H](c2ccc(O)c(c2)[*:1])N1c1ccncc1
CC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1 CC(=O)[*:1] OC[C@@H]1O[C@H](Oc2ccc(cc2)[*:1])[C@H](O)[C@H](O)[C@@H]1O
CC1(C)C[C@@]1(C(=O)N1CCC(O)(Cn2cc[nH+]c2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC1(C)C[C@]1(C(=O)N1CCC(O)(CC1)Cn1cc[nH+]c1)[*:1]
CC[NH2+]C[C@H](CC(C)C)[C@H](C)CC CC[C@@H](C)[*:1] CC[NH2+]C[C@H](CC(C)C)[*:1]
CC[NH2+]C[C@H](CC(C)C)[C@H](C)CC CC(C)[*:1] CC[NH2+]C[C@H](C[*:1])[C@H](C)CC
CC[NH2+]C[C@H](CC(C)C)[C@H](C)CC CC(C)C[*:1] CC[NH2+]C[C@H]([C@H](C)CC)[*:1]
CS(=O)(=O)[C@H]1CSCCN1Cc1cc(NN)cc[nH+]1 CS(=O)(=O)[*:1] NNc1cc[nH+]c(c1)CN1CCSC[C@@H]1[*:1]
CC(C)C(=O)Nc1ccc(NC=C(C#N)C#N)cc1 CC(C)[*:1] N#CC(C#N)=CNc1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(NC=C(C#N)C#N)cc1 CC(C)C(=O)N[*:1] N#CC(C#N)=CNc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(NC=C(C#N)C#N)cc1 N#CC(C#N)=C[*:1] CC(C)C(=O)Nc1ccc(cc1)N[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H](C)C1=O c1cc2OCOc2cc1[*:1] Cc1ccc(Cl)cc1N1CCN(C(=O)[*:1])[C@H](C)C1=O
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H](C)C1=O Cc1ccc(Cl)cc1[*:1] C[C@@H]1C(=O)N(CCN1C(=O)c1ccc2OCOc2c1)[*:1]
C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC2=NCCS2)o1 C[C@@H]1C[C@H]1[*:1] O=C(/C=C/c1ccc(o1)[*:1])NC1=NCCS1
CCCNC(=O)c1cccc(CNS(=O)(=O)c2cnn(C)c2)c1 Cn1cc(cn1)[*:1] CCCNC(=O)c1cccc(c1)CNS(=O)(=O)[*:1]
CCCNC(=O)c1cccc(CNS(=O)(=O)c2cnn(C)c2)c1 CCCNC(=O)[*:1] Cn1cc(cn1)S(=O)(=O)NCc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(CNS(=O)(=O)c2cnn(C)c2)c1 CCC[*:1] Cn1cc(cn1)S(=O)(=O)NCc1cccc(c1)C(=O)N[*:1]
O=C(/C=C/C1CC1)NC1(c2ccc(F)cc2F)CCOCC1 C(=C[*:1])C1CC1 O=C(NC1(CCOCC1)c1ccc(F)cc1F)[*:1]
O=C(/C=C/C1CC1)NC1(c2ccc(F)cc2F)CCOCC1 C1CC1[*:1] O=C(C=C[*:1])NC1(CCOCC1)c1ccc(F)cc1F
Cc1csc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)n1 Cc1csc(n1)[*:1] Cc1cccc2cc(C#N)c(nc12)SCC(=O)N[*:1]
Cc1cc(F)cc2c(NCCCCn3ccccc3=O)c(C#N)cnc12 O=c1ccccn1[*:1] Cc1cc(F)cc2c(NCCCC[*:1])c(C#N)cnc12
Cc1cc(F)cc2c(NCCCCn3ccccc3=O)c(C#N)cnc12 O=c1ccccn1C[*:1] Cc1cc(F)cc2c(NCCC[*:1])c(C#N)cnc12
CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1 CCC[*:1] CC(C)(C)Oc1ccc(cc1)NC(=O)C(=O)N[C@H]1C[C@H]1[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1 CC(C)(C)O[*:1] CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1 CC(C)(C)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
CCCC[C@@]1(CC)CCC(=O)O1 CCCC[*:1] CC[C@]1(CCC(=O)O1)[*:1]
CCCC[C@@]1(CC)CCC(=O)O1 CCC[*:1] CC[C@@]1(CCC(=O)O1)C[*:1]
CC(C)NC(=O)CC[NH2+][C@@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] CC(C)NC(=O)CC[NH2+][C@@H](c1ccccc1F)[*:1]
CC(C)NC(=O)CC[NH2+][C@@H](c1ccccc1F)C1CCCC1 CC(C)NC(=O)C[*:1] Fc1ccccc1[C@H]([NH2+]C[*:1])C1CCCC1
CC(C)NC(=O)CC[NH2+][C@@H](c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] CC(C)NC(=O)CC[NH2+][C@@H](C1CCCC1)[*:1]
CC(C)NC(=O)CC[NH2+][C@@H](c1ccccc1F)C1CCCC1 CC(C)NC(=O)[*:1] Fc1ccccc1[C@H]([NH2+]CC[*:1])C1CCCC1
CC(C)NC(=O)CC[NH2+][C@@H](c1ccccc1F)C1CCCC1 CC(C)[*:1] O=C(CC[NH2+][C@@H](c1ccccc1F)C1CCCC1)N[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(O)cc(F)cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)c1c(O)cc(F)cc1F)[*:1]
CC[C@H](NC(=O)Nc1c(C)nn(CC)c1C)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@H](NC(=O)Nc1c(C)nn(CC)c1C)[*:1]
CCC(C)(C)C1CCC([NH2+]Cc2cscc2C)CC1 Cc1cscc1[*:1] CCC(C)(C)C1CCC(CC1)[NH2+]C[*:1]
CCC(C)(C)C1CCC([NH2+]Cc2cscc2C)CC1 CCC(C)(C)[*:1] Cc1cscc1C[NH2+]C1CCC(CC1)[*:1]
Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(C)[C@@H](C)c3cccs3)c12 Fc1ccccc1[*:1] Cc1noc2nc(cc(C(=O)N(C)[C@@H](C)c3cccs3)c12)[*:1]
Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(C)[C@@H](C)c3cccs3)c12 c1csc(c1)[*:1] Cc1noc2nc(cc(C(=O)N(C)[C@@H](C)[*:1])c12)-c1ccccc1F
CCn1c(=O)c2ccn(CC(=O)NCc3cccc(C)c3)c2n(CC)c1=O Cc1cccc(c1)C[*:1] CCn1c(=O)c2ccn(CC(=O)N[*:1])c2n(CC)c1=O
CCn1c(=O)c2ccn(CC(=O)NCc3cccc(C)c3)c2n(CC)c1=O Cc1cccc(c1)[*:1] CCn1c(=O)c2ccn(CC(=O)NC[*:1])c2n(CC)c1=O
N#CCC[NH+](Cc1cc[nH]c1)CC1CC1 C1CC1[*:1] N#CCC[NH+](Cc1cc[nH]c1)C[*:1]
N#CCC[NH+](Cc1cc[nH]c1)CC1CC1 c1cc(c[nH]1)[*:1] N#CCC[NH+](CC1CC1)C[*:1]
N#CCC[NH+](Cc1cc[nH]c1)CC1CC1 N#CCC[*:1] c1cc(c[nH]1)C[NH+](CC1CC1)[*:1]
N#CCC[NH+](Cc1cc[nH]c1)CC1CC1 C1CC1C[*:1] N#CCC[NH+](Cc1cc[nH]c1)[*:1]
N#CCC[NH+](Cc1cc[nH]c1)CC1CC1 N#CC[*:1] c1cc(c[nH]1)C[NH+](CC1CC1)C[*:1]
Cc1nc([C@H](NC(=O)c2ccc(F)nc2)c2ccc(Cl)cc2)no1 Fc1ccc(cn1)[*:1] Cc1nc(no1)[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
Cc1nc([C@H](NC(=O)c2ccc(F)nc2)c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1nc(no1)[C@H](NC(=O)c1ccc(F)nc1)[*:1]
Cc1nc([C@H](NC(=O)c2ccc(F)nc2)c2ccc(Cl)cc2)no1 Cc1nc(no1)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])c1ccc(F)nc1
CC(C)Oc1ccc(NC(=O)[C@H](C(C)C)n2cccc2)cc1 CC(C)[*:1] CC(C)[C@@H](C(=O)Nc1ccc(cc1)O[*:1])n1cccc1
CC(C)Oc1ccc(NC(=O)[C@H](C(C)C)n2cccc2)cc1 CC(C)O[*:1] CC(C)[C@@H](C(=O)Nc1ccc(cc1)[*:1])n1cccc1
CC(C)Oc1ccc(NC(=O)[C@H](C(C)C)n2cccc2)cc1 c1ccn(c1)[*:1] CC(C)Oc1ccc(cc1)NC(=O)[C@H](C(C)C)[*:1]
CC(C)Oc1ccc(NC(=O)[C@H](C(C)C)n2cccc2)cc1 CC(C)[*:1] CC(C)Oc1ccc(cc1)NC(=O)[C@H](n1cccc1)[*:1]
O=C(COc1ccc(F)cc1)Nc1cc(-n2cnnn2)ccc1F c1nnnn1[*:1] O=C(COc1ccc(F)cc1)Nc1cc(ccc1F)[*:1]
O=C(COc1ccc(F)cc1)Nc1cc(-n2cnnn2)ccc1F Fc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1cc(ccc1F)-n1cnnn1
O=C(COc1ccc(F)cc1)Nc1cc(-n2cnnn2)ccc1F Fc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1cc(ccc1F)-n1cnnn1
O=S(=O)([O-])CCCN1/C(=C\C=N\c2ccccc2)Sc2ccccc21 O=S(=O)([O-])CCC[*:1] C(/C=C1/Sc2ccccc2N1[*:1])=N\c1ccccc1
O=S(=O)([O-])CCCN1/C(=C\C=N\c2ccccc2)Sc2ccccc21 C(=Nc1ccccc1)[*:1] O=S(=O)([O-])CCCN1C(=C[*:1])Sc2ccccc21
O=S(=O)([O-])CCCN1/C(=C\C=N\c2ccccc2)Sc2ccccc21 O=S(=O)([O-])[*:1] C(/C=C1/Sc2ccccc2N1CCC[*:1])=N\c1ccccc1
O=S(=O)([O-])CCCN1/C(=C\C=N\c2ccccc2)Sc2ccccc21 O=S(=O)([O-])CC[*:1] C(/C=C1/Sc2ccccc2N1C[*:1])=N\c1ccccc1
O=S(=O)([O-])CCCN1/C(=C\C=N\c2ccccc2)Sc2ccccc21 c1ccc(cc1)[*:1] O=S(=O)([O-])CCCN1/C(=C\C=N[*:1])Sc2ccccc21
O=S(=O)([O-])CCCN1/C(=C\C=N\c2ccccc2)Sc2ccccc21 O=S(=O)([O-])C[*:1] C(/C=C1/Sc2ccccc2N1CC[*:1])=N\c1ccccc1
CC[C@H](C)N(C)c1ccccc1C[NH2+]C CC[C@H](C)[*:1] C[NH2+]Cc1ccccc1N(C)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
CCCCN(CCCC)C(=O)N[C@@H]1CCCc2c1cnn2C CCCC[*:1] CCCCN(C(=O)N[C@@H]1CCCc2c1cnn2C)[*:1]
CCCCN(CCCC)C(=O)N[C@@H]1CCCc2c1cnn2C CCC[*:1] CCCCN(C[*:1])C(=O)N[C@@H]1CCCc2c1cnn2C
CN(C)C(=O)Cc1ccc(NCc2ccc3c(c2)OCCO3)cc1 CN(C)C(=O)C[*:1] c1cc2OCCOc2cc1CNc1ccc(cc1)[*:1]
CN(C)C(=O)Cc1ccc(NCc2ccc3c(c2)OCCO3)cc1 CN(C)C(=O)[*:1] c1cc2OCCOc2cc1CNc1ccc(cc1)C[*:1]
C[C@@]12C(=O)N(CCc3ccccc3F)CC(=O)N1CCc1c2[nH]c2ccccc12 Fc1ccccc1[*:1] C[C@@]12C(=O)N(CC[*:1])CC(=O)N1CCc1c2[nH]c2ccccc12
C[C@@]12C(=O)N(CCc3ccccc3F)CC(=O)N1CCc1c2[nH]c2ccccc12 Fc1ccccc1CC[*:1] C[C@@]12C(=O)N(CC(=O)N1CCc1c2[nH]c2ccccc12)[*:1]
C[C@@]12C(=O)N(CCc3ccccc3F)CC(=O)N1CCc1c2[nH]c2ccccc12 Fc1ccccc1C[*:1] C[C@@]12C(=O)N(CC(=O)N1CCc1c2[nH]c2ccccc12)C[*:1]
CC(C)OC[C@@H](O)[C@]1([NH+](C)C)CCC[C@@H](C)C1 CC(C)O[*:1] C[C@@H]1CCC[C@](C1)([C@H](O)C[*:1])[NH+](C)C
CC(C)OC[C@@H](O)[C@]1([NH+](C)C)CCC[C@@H](C)C1 CC(C)OC[*:1] C[C@@H]1CCC[C@](C1)([C@H](O)[*:1])[NH+](C)C
CC(C)OC[C@@H](O)[C@]1([NH+](C)C)CCC[C@@H](C)C1 CC(C)[*:1] C[C@@H]1CCC[C@](C1)([C@H](O)CO[*:1])[NH+](C)C
CCCC[NH+](C)CC1CCN(C(=O)c2scnc2C2CC2)CC1 CCCC[*:1] C[NH+](CC1CCN(CC1)C(=O)c1scnc1C1CC1)[*:1]
CCCC[NH+](C)CC1CCN(C(=O)c2scnc2C2CC2)CC1 CCC[*:1] C[NH+](CC1CCN(CC1)C(=O)c1scnc1C1CC1)C[*:1]
CCCC[NH+](C)CC1CCN(C(=O)c2scnc2C2CC2)CC1 C1CC1[*:1] CCCC[NH+](C)CC1CCN(CC1)C(=O)c1scnc1[*:1]
CC[NH+](CC)CC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 NC(=O)[*:1] CC[NH+](CC)CC(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
NC(=O)CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O NC(=O)[*:1] O=C(NC[*:1])[C@@H]1CCN(C1=O)c1cc(Cl)ccc1Cl
NC(=O)CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O NC(=O)C[*:1] O=C(N[*:1])[C@@H]1CCN(C1=O)c1cc(Cl)ccc1Cl
NC(=O)CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O NC(=O)CNC(=O)[*:1] O=C1[C@@H](CCN1c1cc(Cl)ccc1Cl)[*:1]
Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@H]1CCN(C)C1=O Fc1ccccc1[*:1] Cc1nc(sc1[C@@H](C)[NH2+][C@H]1CCN(C)C1=O)[*:1]
CCCCS(=O)(=O)NCC(=O)N1CCO[C@@](C)(c2ccccc2)C1 CCCCS(=O)(=O)N[*:1] C[C@@]1(CN(CCO1)C(=O)C[*:1])c1ccccc1
CCCCS(=O)(=O)NCC(=O)N1CCO[C@@](C)(c2ccccc2)C1 CCCC[*:1] C[C@@]1(CN(CCO1)C(=O)CNS(=O)(=O)[*:1])c1ccccc1
CCCCS(=O)(=O)NCC(=O)N1CCO[C@@](C)(c2ccccc2)C1 c1ccc(cc1)[*:1] CCCCS(=O)(=O)NCC(=O)N1CCO[C@@](C)(C1)[*:1]
CCCCS(=O)(=O)NCC(=O)N1CCO[C@@](C)(c2ccccc2)C1 CCC[*:1] C[C@@]1(CN(CCO1)C(=O)CNS(=O)(=O)C[*:1])c1ccccc1
CC(C)(C)C(=O)N1CCC(C(=O)N2CCCCC[C@H]2c2ccncc2)CC1 CC(C)(C)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCCCC[C@H]1c1ccncc1
CC(C)(C)C(=O)N1CCC(C(=O)N2CCCCC[C@H]2c2ccncc2)CC1 c1cc(ccn1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)N1CCCCC[C@@H]1[*:1]
CN(C)c1nc(Nc2ccc(Cl)cc2Cl)nc(N(C)C)n1 CN(C)[*:1] CN(C)c1nc(nc(n1)[*:1])Nc1ccc(Cl)cc1Cl
CC(C)c1cc(N2CCC(OC[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1cc(nc([nH+]1)[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
CC(C)c1cc(N2CCC(OC[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 C1CO[C@@H](C1)C[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N1CCC(CC1)O[*:1]
CC(C)c1cc(N2CCC(OC[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1nc(cc([nH+]1)[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
CC(C)c1cc(N2CCC(OC[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 C1CO[C@@H](C1)CO[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N1CCC(CC1)[*:1]
CC(C)c1cc(N2CCC(OC[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 C1CO[C@@H](C1)[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N1CCC(CC1)OC[*:1]
CCc1n[nH]c(SCc2ccc(OCC(C)C)cc2)n1 CC(C)CO[*:1] CCc1n[nH]c(n1)SCc1ccc(cc1)[*:1]
CCc1n[nH]c(SCc2ccc(OCC(C)C)cc2)n1 CC(C)C[*:1] CCc1n[nH]c(n1)SCc1ccc(cc1)O[*:1]
CCc1n[nH]c(SCc2ccc(OCC(C)C)cc2)n1 CC(C)[*:1] CCc1n[nH]c(n1)SCc1ccc(cc1)OC[*:1]
COc1ccc([C@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC COc1ccc(cc1OC)[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)N1C(=O)[C@H](C)S[C@@H]1[*:1]
COc1ccc([C@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1S[C@@H](C)C(=O)N1c1c(C)n(C)n(c1=O)[*:1]
CCOC(=O)Cn1c(N2CCCCC2)nc2nccc(-c3ccccc3)c2c1=O c1ccc(cc1)[*:1] CCOC(=O)Cn1c(nc2nccc(c2c1=O)[*:1])N1CCCCC1
CCOC(=O)Cn1c(N2CCCCC2)nc2nccc(-c3ccccc3)c2c1=O CCOC(=O)[*:1] O=c1c2c(ccnc2nc(N2CCCCC2)n1C[*:1])-c1ccccc1
CCOC(=O)Cn1c(N2CCCCC2)nc2nccc(-c3ccccc3)c2c1=O CCOC(=O)C[*:1] O=c1c2c(ccnc2nc(N2CCCCC2)n1[*:1])-c1ccccc1
CCOC(=O)Cn1c(N2CCCCC2)nc2nccc(-c3ccccc3)c2c1=O C1CCN(CC1)[*:1] CCOC(=O)Cn1c(nc2nccc(-c3ccccc3)c2c1=O)[*:1]
CCC[C@H]1CCC[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CC1 CCC[*:1] CN1CCO[C@H](C[NH2+][C@H]2CCC[C@@H](CC2)[*:1])C1
C(=C/c1ccccc1)\CSc1nnc(-c2ccncc2)o1 c1cc(ccn1)[*:1] C(=C/c1ccccc1)\CSc1nnc(o1)[*:1]
C(=C/c1ccccc1)\CSc1nnc(-c2ccncc2)o1 c1ccc(cc1)[*:1] C(=C[*:1])CSc1nnc(o1)-c1ccncc1
COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)[O-])c2C#N)c1 O=C([O-])[*:1] COc1ccc(OC)c(c1)-c1cc(nc(S[C@H](C)[*:1])c1C#N)-c1ccccc1
COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)[O-])c2C#N)c1 COc1ccc(OC)c(c1)[*:1] C[C@@H](Sc1nc(cc(c1C#N)[*:1])-c1ccccc1)C(=O)[O-]
COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)[O-])c2C#N)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)-c1cc(nc(S[C@H](C)C(=O)[O-])c1C#N)[*:1]
COc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1
COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)N(C)C3CCCCC3)C2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CC(C1)NS(=O)(=O)N(C)[*:1]
COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)N(C)C3CCCCC3)C2)cc1 COc1ccc(cc1)[*:1] CN(C1CCCCC1)S(=O)(=O)NC1CN(C1)S(=O)(=O)[*:1]
CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 CS(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H]1c1nnc2CCCCCn21
CS[C@@H](C)C(=O)N1CCC[C@H](O)C1 CS[C@@H](C)[*:1] O=C(N1CCC[C@H](O)C1)[*:1]
COC[C@H](Nc1ccc(C(=O)N(C)C)nn1)C(C)C COC[*:1] CC(C)[C@@H](Nc1ccc(nn1)C(=O)N(C)C)[*:1]
COC[C@H](Nc1ccc(C(=O)N(C)C)nn1)C(C)C CN(C)C(=O)[*:1] COC[C@H](Nc1ccc(nn1)[*:1])C(C)C
COC[C@H](Nc1ccc(C(=O)N(C)C)nn1)C(C)C CC(C)[*:1] COC[C@H](Nc1ccc(nn1)C(=O)N(C)C)[*:1]
Cc1cccc(NC(=O)/C=C/c2cc(F)cc3c2OCOC3)c1 Cc1cccc(c1)[*:1] O=C(/C=C/c1cc(F)cc2COCOc12)N[*:1]
CC[NH2+][C@]1(C(N)=O)CC[C@H](Oc2ccc(F)c(F)c2)C1 NC(=O)[*:1] CC[NH2+][C@@]1(CC[C@@H](C1)Oc1ccc(F)c(F)c1)[*:1]
Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(F)cc3)c3ccccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(C[C@@]1(O)C(=O)N(c2ccccc21)[*:1])c1ccc(F)cc1
Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(F)cc3)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@@]1(O)C(=O)N(C[*:1])c2ccccc21)c1ccc(F)cc1
Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(F)cc3)c3ccccc32)cc1 O=C(c1ccc(F)cc1)[*:1] Cc1ccc(cc1)CN1C(=O)[C@](O)(C[*:1])c2ccccc21
Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(F)cc3)c3ccccc32)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)[C@](O)(CC(=O)[*:1])c2ccccc21
O=C(CCC(F)(F)F)[C@@H]1CCO[C@@]2(CCSC2)C1 FC(F)(F)C[*:1] O=C(C[*:1])[C@@H]1CCO[C@@]2(CCSC2)C1
O=C(CCC(F)(F)F)[C@@H]1CCO[C@@]2(CCSC2)C1 FC(F)(F)CC[*:1] O=C([C@@H]1CCO[C@@]2(CCSC2)C1)[*:1]
O=C(CCC(F)(F)F)[C@@H]1CCO[C@@]2(CCSC2)C1 FC(F)(F)[*:1] O=C(CC[*:1])[C@@H]1CCO[C@@]2(CCSC2)C1
CCCCNC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCCNC(=O)/C(=C\c1cccs1)NC(=O)[*:1]
CCCCNC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C)cc1 c1csc(c1)[*:1] CCCCNC(=O)C(=C[*:1])NC(=O)c1ccc(C)cc1
CCCCNC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C)cc1 CCCCNC(=O)[*:1] Cc1ccc(cc1)C(=O)N/C(=C/c1cccs1)[*:1]
CCCCNC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C)cc1 CCCC[*:1] Cc1ccc(cc1)C(=O)N/C(=C/c1cccs1)C(=O)N[*:1]
CCCCNC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)C(=O)N/C(=C/c1cccs1)C(=O)NC[*:1]
O=C(CSc1nnc(NC2CC2)s1)c1ccc2c(c1)CCC2 C1CC1N[*:1] O=C(CSc1nnc(s1)[*:1])c1ccc2CCCc2c1
O=C(CSc1nnc(NC2CC2)s1)c1ccc2c(c1)CCC2 C1CC1[*:1] O=C(CSc1nnc(N[*:1])s1)c1ccc2CCCc2c1
Cc1n[nH]c(C)c1CNC(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 Cc1n[nH]c(C)c1C[*:1] O=C(N[*:1])c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1
Cc1n[nH]c(C)c1CNC(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 Clc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1CNC(=O)c1ccc2oc(C[*:1])nc2c1
Cc1n[nH]c(C)c1CNC(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 Clc1ccc(cc1)C[*:1] Cc1n[nH]c(C)c1CNC(=O)c1ccc2oc(nc2c1)[*:1]
Cc1n[nH]c(C)c1CNC(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 Cc1n[nH]c(C)c1[*:1] O=C(NC[*:1])c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3cnc4ccccc43)CC2)cc1 CCOC(=O)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN(CC1)Cn1cnc2ccccc21
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3cnc4ccccc43)CC2)cc1 c1ccc2c(c1)ncn2C[*:1] CCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3cnc4ccccc43)CC2)cc1 c1ccc2c(c1)ncn2[*:1] CCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1]
C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)C1CCCCC1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC(=O)N(C1)[*:1])C1CCCCC1
C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC(=O)N(C1)C1CC1)[*:1]
CCC[C@H](Br)CC[C@@H]1CCO[C@]2(CCOC2)C1 CCC[C@H](Br)[*:1] C1C[C@]2(CO1)C[C@@H](CCO2)CC[*:1]
CCC[C@H](Br)CC[C@@H]1CCO[C@]2(CCOC2)C1 CCC[*:1] Br[C@H](CC[C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
CCc1nc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c2c(n1)c(C)nn2C COc1ccc(cc1OC)[*:1] CCc1nc(c2c(n1)c(C)nn2C)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)[*:1]
O=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1)N[C@@H](c1ccccc1)[*:1]
O=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1)N[C@@H](C(=O)[O-])[*:1]
O=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N[C@@H](C(=O)[O-])c1ccccc1
COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)N3CCNC3=O)nc2c1 c1ccc(cc1)[*:1] COc1ccc2c(cc(nc2c1)S[C@H](C)C(=O)N1CCNC1=O)[*:1]
COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)N3CCNC3=O)nc2c1 O=C1NCCN1C(=O)[*:1] COc1ccc2c(cc(nc2c1)S[C@H](C)[*:1])-c1ccccc1
O=C(NC1(c2ccc(Br)cc2)CCC1)[C@H]1C[C@H]2CC[C@@H]1O2 Brc1ccc(cc1)[*:1] O=C(NC1(CCC1)[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
CCC[NH2+]CC/C=C/c1cnccc1C CCC[*:1] Cc1ccncc1/C=C/CC[NH2+][*:1]
CON(C)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C CON(C)C(=O)[*:1] CC(C)(C)OC(=O)N1CCCC[C@@H]1[*:1]
CON(C)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CON(C)C(=O)[C@H]1CCCCN1C(=O)O[*:1]
CCN(CC(C)C)c1cncc(-n2nc(C)cc2C)n1 CC(C)C[*:1] CCN(c1cncc(n1)-n1nc(C)cc1C)[*:1]
CCN(CC(C)C)c1cncc(-n2nc(C)cc2C)n1 CC(C)[*:1] CCN(C[*:1])c1cncc(n1)-n1nc(C)cc1C
CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CCS(=O)(=O)C2 CCOC(=O)[*:1] COc1ccc(Cl)cc1C(=O)Nc1sc2CS(=O)(=O)CCc2c1[*:1]
CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CCS(=O)(=O)C2 COc1ccc(Cl)cc1[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2CS(=O)(=O)CCc21
CCCc1ccc(C(=O)NC(C)(C)c2ncc(C)s2)cc1 CCC[*:1] Cc1cnc(s1)C(C)(C)NC(=O)c1ccc(cc1)[*:1]
CCCc1ccc(C(=O)NC(C)(C)c2ncc(C)s2)cc1 Cc1cnc(s1)[*:1] CCCc1ccc(cc1)C(=O)NC(C)(C)[*:1]
CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)[*:1]
O=C1CS[C@H](c2cccnc2)N1CCc1ccccn1 c1ccc(nc1)[*:1] O=C1CS[C@H](c2cccnc2)N1CC[*:1]
O=C1CS[C@H](c2cccnc2)N1CCc1ccccn1 c1cncc(c1)[*:1] O=C1CS[C@H](N1CCc1ccccn1)[*:1]
CCCCNC(=O)O[C@@H]1CC[C@@H]([NH3+])C1 CCC[*:1] [NH3+][C@@H]1CC[C@H](C1)OC(=O)NC[*:1]
CCCCNC(=O)O[C@@H]1CC[C@@H]([NH3+])C1 CCCC[*:1] [NH3+][C@@H]1CC[C@H](C1)OC(=O)N[*:1]
CCSc1ccc(C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)cc1 CC(C)[*:1] CCSc1ccc(cc1)C(=O)Nc1nc2CCN(Cc2s1)[*:1]
CCSc1ccc(C(=O)Nc2nc3c(s2)CN(C(C)C)CC3)cc1 CCS[*:1] CC(C)N1CCc2nc(NC(=O)c3ccc(cc3)[*:1])sc2C1
CCOC(=O)[C@](C)(NS(=O)(=O)c1cccs1)C(C)C c1csc(c1)[*:1] CCOC(=O)[C@](C)(NS(=O)(=O)[*:1])C(C)C
CCOC(=O)[C@](C)(NS(=O)(=O)c1cccs1)C(C)C CC(C)[*:1] CCOC(=O)[C@](C)(NS(=O)(=O)c1cccs1)[*:1]
CCOC(=O)[C@](C)(NS(=O)(=O)c1cccs1)C(C)C CCOC(=O)[*:1] CC(C)[C@](C)(NS(=O)(=O)c1cccs1)[*:1]
O=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 c1cncc(c1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])C(=O)Nc1cc2CCC(=O)N3CCc(c1)c23
C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1nccs1 c1csc(n1)[*:1] C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)[*:1]
O=C(c1cccs1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 c1csc(c1)[*:1] O=C(N1CC[C@H](C1)Oc1cccc(Cl)c1)[*:1]
Cc1cc(NC(=O)/C=N/O)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])NC(=O)/C=N/O
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCS(=O)(=O)C[C@H]1c1ccccc1 O=[N+]([O-])[*:1] O=C([C@@H]1C[C@H]1[*:1])N1CCS(=O)(=O)C[C@H]1c1ccccc1
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCS(=O)(=O)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCS(=O)(=O)C[C@@H]1[*:1]
COC(=O)C1(c2nc([C@@H]3C[C@@H]3C)no2)CC1 C[C@H]1C[C@H]1[*:1] COC(=O)C1(CC1)c1nc(no1)[*:1]
COC(=O)C1(c2nc([C@@H]3C[C@@H]3C)no2)CC1 COC(=O)[*:1] C[C@H]1C[C@H]1c1noc(n1)C1(CC1)[*:1]
CCc1ccccc1NC(=O)Cn1nc2ccc(Sc3ccccc3)nn2c1=O CCc1ccccc1[*:1] O=C(Cn1nc2ccc(nn2c1=O)Sc1ccccc1)N[*:1]
CCc1ccccc1NC(=O)Cn1nc2ccc(Sc3ccccc3)nn2c1=O c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)Cn1nc2ccc(nn2c1=O)S[*:1]
CCc1ccccc1NC(=O)Cn1nc2ccc(Sc3ccccc3)nn2c1=O c1ccc(cc1)S[*:1] CCc1ccccc1NC(=O)Cn1nc2ccc(nn2c1=O)[*:1]
COc1ccc(C(=O)CSc2nncn2-c2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)C(=O)CSc1nncn1[*:1]
COc1ccc(C(=O)CSc2nncn2-c2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1-n1cnnc1SCC(=O)[*:1]
CCSCc1ccnc(NCc2cnc3c(C)cccn23)c1 CCSC[*:1] Cc1cccn2c(cnc12)CNc1cc(ccn1)[*:1]
CCSCc1ccnc(NCc2cnc3c(C)cccn23)c1 CCS[*:1] Cc1cccn2c(cnc12)CNc1cc(ccn1)C[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(N2CCNC2=O)c1C CNC(=O)[*:1] Cc1c(cccc1N1CCNC1=O)C(=O)N(C)C[C@@H](C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(N2CCNC2=O)c1C O=C1NCCN1[*:1] CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(c1C)[*:1]
CCCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC)cc1)[C@@H](NC(=O)c1ccccc1)C(=O)N2 CCCC[*:1] COc1ccc(cc1)[C@H]1c2c(NC(=O)[C@@H]1NC(=O)c1ccccc1)n(c(=O)n(C)c2=O)[*:1]
CCCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC)cc1)[C@@H](NC(=O)c1ccccc1)C(=O)N2 O=C(N[*:1])c1ccccc1 CCCCn1c2NC(=O)[C@H]([C@@H](c3ccc(cc3)OC)c2c(=O)n(C)c1=O)[*:1]
CCCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC)cc1)[C@@H](NC(=O)c1ccccc1)C(=O)N2 COc1ccc(cc1)[*:1] CCCCn1c2NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H](c2c(=O)n(C)c1=O)[*:1]
CCCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC)cc1)[C@@H](NC(=O)c1ccccc1)C(=O)N2 c1ccc(cc1)[*:1] CCCCn1c2NC(=O)[C@H](NC(=O)[*:1])[C@@H](c3ccc(cc3)OC)c2c(=O)n(C)c1=O
CCCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC)cc1)[C@@H](NC(=O)c1ccccc1)C(=O)N2 CCC[*:1] COc1ccc(cc1)[C@H]1c2c(NC(=O)[C@@H]1NC(=O)c1ccccc1)n(C[*:1])c(=O)n(C)c2=O
Cc1ccsc1-c1nnc(S[C@H]2CCN(c3ccccc3)C2=O)o1 Cc1ccsc1[*:1] O=C1[C@H](CCN1c1ccccc1)Sc1nnc(o1)[*:1]
Cc1ccsc1-c1nnc(S[C@H]2CCN(c3ccccc3)C2=O)o1 c1ccc(cc1)[*:1] Cc1ccsc1-c1nnc(o1)S[C@H]1CCN(C1=O)[*:1]
CCNC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 CCNC(=O)[*:1] C[C@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)[*:1]
CCNC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] CCNC(=O)[C@H](C)OC(=O)c1nn(c(=O)c2ccccc12)[*:1]
Cc1cc(Cl)ccc1OC(=O)CC[C@H]1Cc2ccccc2NC1=O Cc1cc(Cl)ccc1[*:1] O=C(CC[C@H]1Cc2ccccc2NC1=O)O[*:1]
Cc1ccc(-c2nc(C(=O)N3CCOC[C@H]3C(N)=O)cs2)o1 NC(=O)[*:1] Cc1ccc(o1)-c1nc(cs1)C(=O)N1CCOC[C@@H]1[*:1]
Cc1ccc(-c2nc(C(=O)N3CCOC[C@H]3C(N)=O)cs2)o1 Cc1ccc(o1)[*:1] NC(=O)[C@@H]1COCCN1C(=O)c1csc(n1)[*:1]
CNc1nc(N2CCCCC2)nc(N)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1nc(nc(N)c1[*:1])N1CCCCC1
CNc1nc(N2CCCCC2)nc(N)c1[N+](=O)[O-] C1CCN(CC1)[*:1] CNc1nc(nc(N)c1[N+](=O)[O-])[*:1]
O=C(NCCc1cccs1)Nc1cccc(OC(F)F)c1 c1csc(c1)C[*:1] O=C(NC[*:1])Nc1cccc(c1)OC(F)F
O=C(NCCc1cccs1)Nc1cccc(OC(F)F)c1 c1csc(c1)CC[*:1] O=C(Nc1cccc(c1)OC(F)F)N[*:1]
O=C(NCCc1cccs1)Nc1cccc(OC(F)F)c1 c1csc(c1)[*:1] O=C(NCC[*:1])Nc1cccc(c1)OC(F)F
O=C(NCCc1cccs1)Nc1cccc(OC(F)F)c1 FC(F)[*:1] O=C(NCCc1cccs1)Nc1cccc(c1)O[*:1]
O=C(NCCc1cccs1)Nc1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(NCCc1cccs1)Nc1cccc(c1)[*:1]
Cc1ccccc1-n1cc(CNc2nncc(-c3cc4ccccc4o3)n2)cn1 Cc1ccccc1[*:1] c1ccc2oc(cc2c1)-c1cnnc(n1)NCc1cnn(c1)[*:1]
Cc1ccccc1-n1cc(CNc2nncc(-c3cc4ccccc4o3)n2)cn1 c1ccc2oc(cc2c1)[*:1] Cc1ccccc1-n1cc(cn1)CNc1nncc(n1)[*:1]
CCn1cc(NC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)cn1 CCn1cc(cn1)[*:1] CC(C)(C)Sc1ccc(cc1)NC(=O)C(=O)N[*:1]
CCn1cc(NC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)cn1 CC(C)(C)[*:1] CCn1cc(cn1)NC(=O)C(=O)Nc1ccc(cc1)S[*:1]
CCn1cc(NC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)cn1 CC(C)(C)S[*:1] CCn1cc(cn1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCc1cc(=O)[nH]c2cc(NC(=O)c3ccc(NC(C)=O)cc3)ccc12 CC(=O)N[*:1] CCc1cc(=O)[nH]c2cc(ccc12)NC(=O)c1ccc(cc1)[*:1]
Cc1cccc(NC(=S)NNC(=O)c2ccncc2)c1C c1cc(ccn1)[*:1] Cc1cccc(NC(=S)NNC(=O)[*:1])c1C
Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] Cn1cnnc1S[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])[*:1])N1CCC[C@@H]2CCCC[C@@H]21
Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] Cn1cnnc1[*:1] O=C(c1ccc(S[*:1])c(c1)[N+](=O)[O-])N1CCC[C@@H]2CCCC[C@@H]21
Cn1cnnc1Sc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cn1cnnc1Sc1ccc(cc1[*:1])C(=O)N1CCC[C@@H]2CCCC[C@@H]21
Cc1cccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)[*:1]
Cc1cccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1C Cc1cccc(c1C)[*:1] C[NH+]1CCC(CC1)NC(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1C1CCCCC1)c1cccnc1 c1cncc(c1)[*:1] O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1C1CCCCC1)[*:1]
O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1C1CCCCC1)c1cccnc1 C1CCC(CC1)[*:1] O=C(N[C@H]1[C@H](O)[C@H](O)C[C@H]1[*:1])c1cccnc1
CCCC(CCC)CC(=O)N1CCOCC1(C)C CCC[*:1] CCCC(CC(=O)N1CCOCC1(C)C)[*:1]
CN(C)c1nc2cc(NC(=O)NNc3ccccc3Cl)ccc2o1 CN(C)[*:1] O=C(NNc1ccccc1Cl)Nc1ccc2oc(nc2c1)[*:1]
CN(C)c1nc2cc(NC(=O)NNc3ccccc3Cl)ccc2o1 Clc1ccccc1[*:1] CN(C)c1nc2cc(ccc2o1)NC(=O)NN[*:1]
C[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1cccc(N2CCOC2=O)c1 O[C@@H](c1ccccc1)[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)N1CCOC1=O
C[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1cccc(N2CCOC2=O)c1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H](O)[*:1])c1cccc(c1)N1CCOC1=O
C[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1cccc(c1)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N(C)C[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N(C)CC(=O)N[*:1]
CC(C)[C@]1(C)CC(=O)N(Cc2ncn(-c3ccccc3)n2)C1=O c1ccc(cc1)[*:1] CC(C)[C@]1(C)CC(=O)N(Cc2ncn(n2)[*:1])C1=O
CC(C)[C@]1(C)CC(=O)N(Cc2ncn(-c3ccccc3)n2)C1=O CC(C)[*:1] C[C@@]1(CC(=O)N(Cc2ncn(n2)-c2ccccc2)C1=O)[*:1]
O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 c1ccn(c1)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)[C@@H]1CCCN(C1)c1nnc(s1)[*:1]
O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 c1coc(c1)[*:1] O=C([C@@H]1CCCN(C1)c1nnc(s1)-n1cccc1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 c1ccn(c1)-c1nnc(s1)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)[C@@H]1CCCN(C1)[*:1]
COc1ccc(CCn2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCn1ccc2c(cnc3c(cnn32)[*:1])c1=O
COc1ccc(CCn2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1OC COc1ccc(cc1OC)C[*:1] O=c1c2cnc3c(cnn3c2ccn1C[*:1])-c1ccc(F)cc1
COc1ccc(CCn2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1OC COc1ccc(cc1OC)[*:1] O=c1c2cnc3c(cnn3c2ccn1CC[*:1])-c1ccc(F)cc1
C[C@H](CO)[C@@H](C)NC(=O)Nc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] C[C@H](CO)[C@@H](C)NC(=O)Nc1cc(on1)[*:1]
C[C@H](CO)[C@@H](C)NC(=O)Nc1cc(-c2ccccc2)on1 C[C@H](CO)[*:1] C[C@@H](NC(=O)Nc1cc(on1)-c1ccccc1)[*:1]
C[C@H](CCCO)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@H](CCCO)NS(=O)(=O)c1cccc(c1)[*:1]
C[C@H](CCCO)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 OCC[*:1] C[C@H](C[*:1])NS(=O)(=O)c1cccc(c1)S(N)(=O)=O
C[C@H](CCCO)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 C[C@H](CCCO)[*:1] NS(=O)(=O)c1cccc(c1)S(=O)(=O)N[*:1]
C[C@H](CCCO)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 OCCC[*:1] C[C@H](NS(=O)(=O)c1cccc(c1)S(N)(=O)=O)[*:1]
O=C1[C@@H]2CCCN2C(=O)CN1C[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] O=C1[C@@H]2CCCN2C(=O)CN1C[*:1]
Cc1cc(N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)ncc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cc(ncc1[N+](=O)[O-])N[C@H](CN1CC[NH+](C)CC1)[*:1]
Cc1cc(N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N[C@H](CN1CC[NH+](C)CC1)c1ccccc1
C[NH+](C)CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1nc2c(F)cccc2s1 O=[N+]([O-])[*:1] C[NH+](C)CCN(C(=O)/C=C\c1ccc(cc1)[*:1])c1nc2c(F)cccc2s1
C[NH+](C)CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1nc2c(F)cccc2s1 O=[N+]([O-])c1ccc(cc1)[*:1] C[NH+](C)CCN(C(=O)C=C[*:1])c1nc2c(F)cccc2s1
CC1(C)SC(=S)N(NC(=O)Nc2ccccc2)[C@@H]1N(O)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC1(C)SC(=S)N(NC(=O)Nc2ccccc2)[C@@H]1N(O)C(=O)N[*:1]
CC1(C)SC(=S)N(NC(=O)Nc2ccccc2)[C@@H]1N(O)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC1(C)SC(=S)N(NC(=O)N[*:1])[C@@H]1N(O)C(=O)Nc1ccccc1
CC(C)C(=O)NCCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CC(C)C(=O)NCCNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
CC(C)C(=O)NCCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 CC(C)C(=O)N[*:1] O=C(NCC[*:1])N[C@H]1CC(=O)N(C1)C1CC1
CC(C)C(=O)NCCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 CC(C)[*:1] O=C(NCCNC(=O)[*:1])N[C@H]1CC(=O)N(C1)C1CC1
CC(C)C(=O)NCCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 CC(C)C(=O)NC[*:1] O=C(NC[*:1])N[C@H]1CC(=O)N(C1)C1CC1
COc1ccc2c(CC(=O)NCc3ccccn3)coc2c1 c1ccc(C[*:1])nc1 COc1ccc2c(coc2c1)CC(=O)N[*:1]
COc1ccc2c(CC(=O)NCc3ccccn3)coc2c1 c1ccc(nc1)[*:1] COc1ccc2c(coc2c1)CC(=O)NC[*:1]
CCC[C@H]1CCCN(C(=O)CN2CCC([NH3+])CC2)CC1 CCC[*:1] [NH3+]C1CCN(CC1)CC(=O)N1CCC[C@@H](CC1)[*:1]
CCCCc1nnc(NC(=O)[C@@H](C)Cl)s1 CCCC[*:1] C[C@@H](Cl)C(=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)[C@@H](C)Cl)s1 C[C@@H](Cl)[*:1] CCCCc1nnc(NC(=O)[*:1])s1
CCCCc1nnc(NC(=O)[C@@H](C)Cl)s1 CCC[*:1] C[C@@H](Cl)C(=O)Nc1nnc(C[*:1])s1
Cc1noc(C)c1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 Cc1noc(C)c1[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCCC1)[*:1]
Cc1noc(C)c1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 C1CCCN(CC1)[*:1] Cc1noc(C)c1C(=O)NCc1ccc([nH+]c1)[*:1]
C/[NH+]=C(\NCc1ccc(OC)c(F)c1)NCC(C)C CC(C)C[*:1] C/[NH+]=C(\NCc1ccc(OC)c(F)c1)N[*:1]
C/[NH+]=C(\NCc1ccc(OC)c(F)c1)NCC(C)C CC(C)[*:1] C/[NH+]=C(\NCc1ccc(OC)c(F)c1)NC[*:1]
C[C@H](CNC(=O)NC[C@](C)(O)c1ccsc1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)NC[C@](C)(O)c1ccsc1)[*:1]
C[C@H](CNC(=O)NC[C@](C)(O)c1ccsc1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)NC[C@](C)(O)[*:1])c1ccsc1
C[C@H](CNC(=O)NC[C@](C)(O)c1ccsc1)c1ccsc1 C[C@H](c1ccsc1)[*:1] C[C@](O)(CNC(=O)NC[*:1])c1ccsc1
Cc1ccsc1CCCC(=O)N1CCc2ccc(Cl)cc2C1 Cc1ccsc1C[*:1] O=C(CC[*:1])N1CCc2ccc(Cl)cc2C1
Cc1ccsc1CCCC(=O)N1CCc2ccc(Cl)cc2C1 Cc1ccsc1[*:1] O=C(CCC[*:1])N1CCc2ccc(Cl)cc2C1
CCC(=O)Nc1ccc(NC(=O)NC[C@H](C)Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)NC[C@H](C)[*:1]
CCC(=O)Nc1ccc(NC(=O)NC[C@H](C)Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)NC[C@H](C)O[*:1]
CCC(=O)Nc1ccc(NC(=O)NC[C@H](C)Oc2ccccc2)cc1 CCC(=O)N[*:1] C[C@@H](CNC(=O)Nc1ccc(cc1)[*:1])Oc1ccccc1
Cc1ccc2c(c1)-c1c(c(C(=O)Nc3ccc(F)cc3F)nn1C)CS2 Fc1ccc(c(F)c1)[*:1] Cc1ccc2SCc3c(nn(C)c3-c2c1)C(=O)N[*:1]
CC(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 CC(C)[*:1] N#Cc1c(NC(=O)C[*:1])sc2CCCCCc21
CC(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 CC(C)C[*:1] N#Cc1c(NC(=O)[*:1])sc2CCCCCc21
CCOC(=O)C1=C(C)NC2=NC(SC)=NC(=O)[C@@H]2[C@@H]1c1ccccn1 CCOC(=O)[*:1] CSC1=NC(=O)[C@H]2C(=N1)NC(C)=C([C@H]2c1ccccn1)[*:1]
CCOC(=O)C1=C(C)NC2=NC(SC)=NC(=O)[C@@H]2[C@@H]1c1ccccn1 c1ccc(nc1)[*:1] CCOC(=O)C1=C(C)NC2=NC(=NC(=O)[C@@H]2[C@H]1[*:1])SC
CC(C)COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cc1Cl CC(C)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(OC[*:1])c(Cl)c1)[C@@H]1CCCO1
CC(C)COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cc1Cl C1CO[C@@H](C1)[*:1] CC(C)COc1ccc(cc1Cl)NC(=O)C(=O)N[C@H](C)[*:1]
CC(C)COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cc1Cl CC(C)C[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(O[*:1])c(Cl)c1)[C@@H]1CCCO1
CC(C)COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cc1Cl CC(C)CO[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(c(Cl)c1)[*:1])[C@@H]1CCCO1
C[C@H](Sc1ccccn1)C(=O)N1CCC[C@@H]1C1CCCC1 C1CCC(C1)[*:1] C[C@H](Sc1ccccn1)C(=O)N1CCC[C@H]1[*:1]
C[C@H](Sc1ccccn1)C(=O)N1CCC[C@@H]1C1CCCC1 c1ccc(nc1)S[*:1] C[C@H](C(=O)N1CCC[C@@H]1C1CCCC1)[*:1]
C[C@H](Sc1ccccn1)C(=O)N1CCC[C@@H]1C1CCCC1 c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)N1CCC[C@@H]1C1CCCC1
COc1cccc(N2C[C@H](C(=O)Nc3cccc(NC(C)=O)c3C)CC2=O)c1 CC(=O)N[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)Nc1cccc(c1C)[*:1]
COc1cccc(N2C[C@H](C(=O)Nc3cccc(NC(C)=O)c3C)CC2=O)c1 COc1cccc(c1)[*:1] CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])c1C
O=C1OC[C@H](Cc2ccccc2)N1CN1CCN(c2ccc(F)cn2)CC1 Fc1ccc(nc1)[*:1] O=C1OC[C@H](Cc2ccccc2)N1CN1CCN(CC1)[*:1]
O=C1OC[C@H](Cc2ccccc2)N1CN1CCN(c2ccc(F)cn2)CC1 c1ccc(cc1)[*:1] O=C1OC[C@H](C[*:1])N1CN1CCN(CC1)c1ccc(F)cn1
O=C1OC[C@H](Cc2ccccc2)N1CN1CCN(c2ccc(F)cn2)CC1 c1ccc(cc1)C[*:1] O=C1OC[C@H](N1CN1CCN(CC1)c1ccc(F)cn1)[*:1]
O=C1C[C@@H](c2ccco2)CC2=Nc3ccccc3N3C(=O)c4ccccc4[C@@H]3[C@@H]12 c1coc(c1)[*:1] O=C1C[C@@H](CC2=Nc3ccccc3N3C(=O)c4ccccc4[C@@H]3[C@@H]12)[*:1]
NC(=O)CCCNC(=O)/C=C/c1cccc2cccnc12 NC(=O)CC[*:1] O=C(/C=C/c1cccc2cccnc12)NC[*:1]
NC(=O)CCCNC(=O)/C=C/c1cccc2cccnc12 NC(=O)C[*:1] O=C(/C=C/c1cccc2cccnc12)NCC[*:1]
NC(=O)CCCNC(=O)/C=C/c1cccc2cccnc12 NC(=O)[*:1] O=C(/C=C/c1cccc2cccnc12)NCCC[*:1]
NC(=O)CCCNC(=O)/C=C/c1cccc2cccnc12 NC(=O)CCC[*:1] O=C(/C=C/c1cccc2cccnc12)N[*:1]
Cc1ccc(-c2n[nH]cc2C[NH+](C)CCN2CCOC2=O)cc1 O=C1OCCN1C[*:1] Cc1ccc(cc1)-c1n[nH]cc1C[NH+](C)C[*:1]
Cc1ccc(-c2n[nH]cc2C[NH+](C)CCN2CCOC2=O)cc1 Cc1ccc(cc1)[*:1] C[NH+](CCN1CCOC1=O)Cc1c[nH]nc1[*:1]
Cc1ccc(-c2n[nH]cc2C[NH+](C)CCN2CCOC2=O)cc1 O=C1OCCN1[*:1] Cc1ccc(cc1)-c1n[nH]cc1C[NH+](C)CC[*:1]
O=c1[nH]c2c(c(=O)n1-c1ccccc1)CCCS2 c1ccc(cc1)[*:1] O=c1[nH]c2SCCCc2c(=O)n1[*:1]
CCc1ccc2c(c1)[C@](O)(CC(=O)c1cccc(OC)c1)C(=O)N2 COc1cccc(c1)[*:1] CCc1ccc2NC(=O)[C@@](O)(CC(=O)[*:1])c2c1
C=CCOC(=O)c1ccccc1SCC(=O)N1CCCC1 C=CCOC(=O)[*:1] O=C(CSc1ccccc1[*:1])N1CCCC1
C=CCOC(=O)c1ccccc1SCC(=O)N1CCCC1 C=CC[*:1] O=C(O[*:1])c1ccccc1SCC(=O)N1CCCC1
C=CCOC(=O)c1ccccc1SCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C=CCOC(=O)c1ccccc1SC[*:1]
O=C(NCc1ccccc1)/C(=C/c1cccc(F)c1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] O=C(NC[*:1])/C(=C/c1cccc(F)c1)c1nc2ccccc2[nH]1
O=C(NCc1ccccc1)/C(=C/c1cccc(F)c1)c1nc2ccccc2[nH]1 Fc1cccc(c1)[*:1] O=C(NCc1ccccc1)C(=C[*:1])c1nc2ccccc2[nH]1
O=C(NCc1ccccc1)/C(=C/c1cccc(F)c1)c1nc2ccccc2[nH]1 c1ccc(cc1)C[*:1] O=C(N[*:1])/C(=C/c1cccc(F)c1)c1nc2ccccc2[nH]1
O=C(NCc1ccccc1)/C(=C/c1cccc(F)c1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NCc1ccccc1)/C(=C/c1cccc(F)c1)[*:1]
CC(=O)Nc1nnc(SCC(=O)c2ccc(Br)cc2)s1 CC(=O)N[*:1] O=C(CSc1nnc(s1)[*:1])c1ccc(Br)cc1
O=C(Nc1ccc(F)cc1Cl)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(F)cc1Cl)c1ccccc1[*:1]
COC(=O)c1sccc1CN1CCC[C@H](c2nc3ccccc3o2)C1 COC(=O)[*:1] c1ccc2oc(nc2c1)[C@H]1CCCN(Cc2ccsc2[*:1])C1
COC(C)(C)C[C@@H](C)NC(=O)Nc1c(F)cccc1Br COC(C)(C)C[*:1] C[C@@H](NC(=O)Nc1c(F)cccc1Br)[*:1]
COC(C)(C)C[C@@H](C)NC(=O)Nc1c(F)cccc1Br COC(C)(C)[*:1] C[C@H](C[*:1])NC(=O)Nc1c(F)cccc1Br
CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cn3c(C)cccc3[nH+]2)C1 CCC[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCOc1ccc2nc(NC(=O)c3cnn(-c4ccc([O-])nn4)c3C)sc2c1 CCO[*:1] Cc1c(cnn1-c1ccc([O-])nn1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
Cc1ccc(OC2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 N#CC[*:1] Cc1ccc(cc1)OC1CC[NH+](CC1)CC(C)(C)C[*:1]
Cc1ccc(OC2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)(CCC#N)C[NH+]1CCC(CC1)O[*:1]
Cc1ccc(OC2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 N#CCC[*:1] Cc1ccc(cc1)OC1CC[NH+](CC1)CC(C)(C)[*:1]
Cc1ccc(OC2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 CC(C)(CCC#N)[*:1] Cc1ccc(cc1)OC1CC[NH+](CC1)C[*:1]
Cn1cc([C@H]([NH3+])CC(=O)[O-])c2ccccc21 O=C([O-])[*:1] Cn1cc(c2ccccc21)[C@H]([NH3+])C[*:1]
Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c1C(N)=O NC(=O)[*:1] Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c1[*:1]
Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c1C(N)=O Clc1ccc(cc1Cl)[*:1] Cc1cccc(NC(=O)[C@@H]2C[C@H]2[*:1])c1C(N)=O
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)N1CCCN(CC1)S(=O)(=O)[*:1]
Cc1ccccc1Cn1c(CCCNC(=O)[C@@H]2CCCO2)nc2ccccc21 Cc1ccccc1[*:1] O=C(NCCCc1nc2ccccc2n1C[*:1])[C@@H]1CCCO1
Cc1ccccc1Cn1c(CCCNC(=O)[C@@H]2CCCO2)nc2ccccc21 Cc1ccccc1C[*:1] O=C(NCCCc1nc2ccccc2n1[*:1])[C@@H]1CCCO1
COc1ccccc1C[NH+](C)Cc1nc([O-])c2ccc(Cl)cc2n1 COc1ccccc1[*:1] C[NH+](Cc1nc([O-])c2ccc(Cl)cc2n1)C[*:1]
Cc1[nH]ncc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] Cc1[nH]ncc1S(=O)(=O)N1CC[C@@H]([C@@H]1C)[*:1]
Cc1[nH]ncc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C Cc1[nH]ncc1[*:1] C[C@H]1[C@@H](CCN1S(=O)(=O)[*:1])C(=O)[O-]
Cc1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)c([O-])n2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nnc(-c2ccc3OCCOc3c2)c([O-])n1)N[*:1]
CCNC(=O)c1ccccc1NC(=O)c1ccnc(OC(C)(C)C)c1 CCNC(=O)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)Nc1ccccc1[*:1]
CCNC(=O)c1ccccc1NC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CCNC(=O)c1ccccc1NC(=O)c1ccnc(c1)O[*:1]
CCNC(=O)c1ccccc1NC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CCNC(=O)c1ccccc1NC(=O)c1ccnc(c1)[*:1]
O=C(NCCCCOc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 c1ccc(cc1)O[*:1] O=C(NCCCC[*:1])C1C=CC2=NS(=O)(=O)CCN2C=1
O=C(NCCCCOc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 c1ccc(cc1)OC[*:1] O=C(NCCC[*:1])C1C=CC2=NS(=O)(=O)CCN2C=1
O=C(NCCCCOc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 c1ccc(cc1)[*:1] O=C(NCCCCO[*:1])C1C=CC2=NS(=O)(=O)CCN2C=1
O=C(COc1ccc2ccccc2c1)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] O=C(COc1ccc2ccccc2c1)Nc1ccc(cc1)[*:1]
O=C(COc1ccc2ccccc2c1)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] O=C(COc1ccc2ccccc2c1)Nc1ccc(cc1)S[*:1]
N#Cc1ccc(C(=O)N2CC[NH+](CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 c1cc2OCOc2cc1[*:1] N#Cc1ccc(cc1)C(=O)N1CC[NH+](CCNC(=O)[*:1])CC1
N#Cc1ccc(C(=O)N2CC[NH+](CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)C(=O)[*:1])c1ccc2OCOc2c1
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(CC1)[*:1]
CC(C)(C)OC(=O)Oc1ccc2ccccc2c1 CC(C)(C)[*:1] O=C(Oc1ccc2ccccc2c1)O[*:1]
CCn1cc(Cl)c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 C1CC1[*:1] CCn1cc(Cl)c(n1)C(=O)N1CCC[C@@H](C1)c1n[nH]c(n1)[*:1]
CCn1cc(Cl)c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 C1CC1c1nc(n[nH]1)[*:1] CCn1cc(Cl)c(n1)C(=O)N1CCC[C@H](C1)[*:1]
CCn1cc(Cl)c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 CCn1cc(Cl)c(n1)[*:1] O=C(N1CCC[C@@H](C1)c1n[nH]c(n1)C1CC1)[*:1]
Cc1nn(C)c2c1nc([C@H](C)Cl)n2[C@@H](C[NH+](C)C)C(C)C CC(C)[*:1] Cc1nn(C)c2c1nc([C@H](C)Cl)n2[C@@H](C[NH+](C)C)[*:1]
Cc1nn(C)c2c1nc([C@H](C)Cl)n2[C@@H](C[NH+](C)C)C(C)C C[C@H](Cl)[*:1] Cc1nn(C)c2c1nc(n2[C@@H](C[NH+](C)C)C(C)C)[*:1]
COc1cc(C(F)(F)F)c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cn1 Clc1ccc(cc1Cl)[*:1] COc1cc(c(cn1)C(=O)N(C)C[*:1])C(F)(F)F
COc1cc(C(F)(F)F)c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cn1 FC(F)(F)[*:1] COc1cc(c(cn1)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[*:1]
N#CC1=C2C=CC=CN2[C@](c2ccccc2)(C(F)(F)F)NC1=S FC(F)(F)[*:1] N#CC1C(=S)N[C@@](c2ccccc2)(N2C=CC=CC=12)[*:1]
N#CC1=C2C=CC=CN2[C@](c2ccccc2)(C(F)(F)F)NC1=S c1ccc(cc1)[*:1] N#CC1C(=S)N[C@](N2C=CC=CC=12)(C(F)(F)F)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCc4nnc(C(C)C)n4CC3)[nH]n2)s1 Cc1ccc(s1)[*:1] CC(C)c1nnc2CCN(CCn21)C(=O)c1cc(n[nH]1)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCc4nnc(C(C)C)n4CC3)[nH]n2)s1 CC(C)[*:1] Cc1ccc(s1)-c1cc([nH]n1)C(=O)N1CCc2nnc(n2CC1)[*:1]
C=CCS(=O)(=O)NCCO OCC[*:1] C=CCS(=O)(=O)N[*:1]
C=CCS(=O)(=O)NCCO C=CC[*:1] O=S(=O)(NCCO)[*:1]
CC(C)(C[S@](=O)c1cccc(Cl)c1)C(=O)[O-] O=C([O-])[*:1] CC(C)(C[S@](=O)c1cccc(Cl)c1)[*:1]
COCC[C@@H](C)C(=O)Nc1c(C)cccc1OC(F)F COCC[*:1] Cc1cccc(OC(F)F)c1NC(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)Nc1c(C)cccc1OC(F)F FC(F)O[*:1] COCC[C@@H](C)C(=O)Nc1c(C)cccc1[*:1]
COCC[C@@H](C)C(=O)Nc1c(C)cccc1OC(F)F COCC[C@@H](C)[*:1] Cc1cccc(OC(F)F)c1NC(=O)[*:1]
COCC[C@@H](C)C(=O)Nc1c(C)cccc1OC(F)F COC[*:1] Cc1cccc(OC(F)F)c1NC(=O)[C@H](C)C[*:1]
COCC[C@@H](C)C(=O)Nc1c(C)cccc1OC(F)F FC(F)[*:1] COCC[C@@H](C)C(=O)Nc1c(C)cccc1O[*:1]
C[C@@H](NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)c1ccc(Cl)s1 c1cnn(c1)[*:1] C[C@@H](NC(=O)CN(C)C(=O)[C@@H](C)[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](C(=O)N(C)CC(=O)N[C@H](C)[*:1])n1cccn1
C[C@@H](NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)c1ccc(Cl)s1 C[C@@H](n1cccn1)[*:1] C[C@@H](NC(=O)CN(C)C(=O)[*:1])c1ccc(Cl)s1
CC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C)C1 CC(=O)N[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C1)C[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C)C1 CC(=O)NC[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C1)[*:1]
CS[C@H](CO)[C@H](C)NC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] CS[C@H](CO)[C@H](C)NC(=O)c1cccc(c1)[*:1]
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)c1ccsc1 N#Cc1cccnc1[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)c1ccsc1)O[*:1]
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)c1ccsc1 c1cc(cs1)[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)[*:1])Oc1ncccc1C#N
CN(C(=O)c1cccc(-n2cnnn2)c1)c1ccc2ccccc2c1 c1nnnn1[*:1] CN(C(=O)c1cccc(c1)[*:1])c1ccc2ccccc2c1
C=CCn1c(S[C@H](C)C(=O)c2ccc(Cl)cc2)nnc1-c1ccoc1C Clc1ccc(cc1)[*:1] C=CCn1c(nnc1-c1ccoc1C)S[C@H](C)C(=O)[*:1]
C=CCn1c(S[C@H](C)C(=O)c2ccc(Cl)cc2)nnc1-c1ccoc1C C=CC[*:1] Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccc(Cl)cc2)n1[*:1]
C=CCn1c(S[C@H](C)C(=O)c2ccc(Cl)cc2)nnc1-c1ccoc1C Cc1occc1[*:1] C=CCn1c(nnc1[*:1])S[C@H](C)C(=O)c1ccc(Cl)cc1
CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1 CCC(CC)[*:1] O=C(Nc1ncc(s1)[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1 CCC(CC)C(=O)N[*:1] O=C(Nc1ncc(s1)[N+](=O)[O-])c1ccc(cc1)[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1 O=[N+]([O-])[*:1] CCC(CC)C(=O)Nc1ccc(cc1)C(=O)Nc1ncc(s1)[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1 O=[N+]([O-])c1cnc(s1)[*:1] CCC(CC)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)Cc1noc(CS[C@H](C)C(=O)Nc2ccc(F)cc2F)n1 CC(C)[*:1] C[C@@H](SCc1nc(C[*:1])no1)C(=O)Nc1ccc(F)cc1F
CC(C)Cc1noc(CS[C@H](C)C(=O)Nc2ccc(F)cc2F)n1 Fc1ccc(c(F)c1)[*:1] CC(C)Cc1noc(CS[C@H](C)C(=O)N[*:1])n1
CC(C)Cc1noc(CS[C@H](C)C(=O)Nc2ccc(F)cc2F)n1 CC(C)C[*:1] C[C@@H](SCc1nc(no1)[*:1])C(=O)Nc1ccc(F)cc1F
CCCCC1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 CCCC[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)NC1CCC(CC1)[*:1]
CCCCC1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 CC(C)(C)[*:1] CCCCC1CCC(CC1)NC(=O)C(=O)Nc1nn(cc1C#N)[*:1]
CCCCC1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 CCC[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)NC1CCC(CC1)C[*:1]
CCOc1cccc2sc(NC(=O)c3cccc(C)c3)nc12 CCO[*:1] Cc1cccc(c1)C(=O)Nc1nc2c(cccc2s1)[*:1]
CCOc1cccc2sc(NC(=O)c3cccc(C)c3)nc12 Cc1cccc(c1)[*:1] CCOc1cccc2sc(nc12)NC(=O)[*:1]
C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 Brc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(Cl)c(c1)[N+](=O)[O-]
C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nc2NC3CCCC(=O)C=3[C@H](n2n1)[*:1]
COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)cc1OC COc1ccc(cc1OC)[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)c1ccc(Cl)cc1)[*:1]
CN(CCO)c1ccc(C(=O)Cc2ccccc2)cc1 OCC[*:1] CN(c1ccc(cc1)C(=O)Cc1ccccc1)[*:1]
CN(CCO)c1ccc(C(=O)Cc2ccccc2)cc1 CN(CCO)[*:1] O=C(Cc1ccccc1)c1ccc(cc1)[*:1]
CN(CCO)c1ccc(C(=O)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CN(CCO)c1ccc(cc1)C(=O)C[*:1]
Cc1[nH+]cc(CO)c([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3[nH]cnc32)c1[O-] O=C([O-])[*:1] Cc1[nH+]cc(CO)c(c1[O-])[C@H]1[NH2+][C@@H](Cc2[nH]cnc21)[*:1]
Cc1cnc(CN2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)o1 CC(C)[*:1] Cc1cnc(CN2CCC[C@H](C2)c2nc3ccccc3n2[*:1])o1
Cc1cnc(CN2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)o1 Cc1cnc(o1)[*:1] CC(C)n1c(nc2ccccc21)[C@@H]1CCCN(C1)C[*:1]
Cc1cnc(CN2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)o1 Cc1cnc(C[*:1])o1 CC(C)n1c(nc2ccccc21)[C@@H]1CCCN(C1)[*:1]
O=C(Nc1ccc(Br)cc1)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] O=C(Nc1ccc(Br)cc1)[C@H]1CC=CC[C@@H]1C(=O)N[*:1]
O=C(Nc1ccc(Br)cc1)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(Br)cc1)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[*:1]
O=C(Nc1ccc(Br)cc1)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-] Brc1ccc(cc1)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC=CC[C@@H]1C(=O)N[*:1]
CCn1cc(CN(C)C(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c(C)n1 CCn1cc(C[*:1])c(C)n1 Cc1nn(Cc2ccc(o2)C(=O)N(C)[*:1])c(C)c1Cl
CCn1cc(CN(C)C(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c(C)n1 Cc1nn(C[*:1])c(C)c1Cl CCn1cc(CN(C)C(=O)c2ccc(o2)[*:1])c(C)n1
CCn1cc(CN(C)C(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c(C)n1 CCn1cc(c(C)n1)[*:1] Cc1nn(Cc2ccc(o2)C(=O)N(C)C[*:1])c(C)c1Cl
CCn1cc(CN(C)C(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c(C)n1 Cc1nn(c(C)c1Cl)[*:1] CCn1cc(CN(C)C(=O)c2ccc(C[*:1])o2)c(C)n1
O[C@H](Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cn1 FC(F)(F)O[*:1] O[C@H](Cc1ccc(cc1)[*:1])c1ccc(F)cn1
O[C@H](Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] O[C@H](Cc1ccc(cc1)OC(F)(F)F)[*:1]
O[C@H](Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cn1 FC(F)(F)[*:1] O[C@H](Cc1ccc(cc1)O[*:1])c1ccc(F)cn1
O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCO2 O=[N+]([O-])[*:1] O=C(CCc1cccc(c1)[*:1])Nc1ccc2OCCOc2c1
NC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1N NC(=O)[*:1] Nc1cc(Br)ccc1C(=O)Nc1ccccc1[*:1]
CC(C)(C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 CC(C)(C)NC(=O)[*:1] O=C(c1ccc(Cl)cc1)N1CCCc2cc(ccc21)[*:1]
CC(C)(C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C)NC(=O)c1ccc2c(c1)CCCN2C(=O)[*:1]
CC(C)(C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 CC(C)(C)[*:1] O=C(N[*:1])c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1
CS[C@H]1CC[C@H](NC(=O)c2ccc(N3CCNC3=O)cc2)C1 O=C1NCCN1[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1N1CCCCC1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 C1CCN(CC1)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CC(=NO1)c1ccc(Cl)s1
O=C(Nc1ccccc1N1CCCCC1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 Clc1ccc(s1)[*:1] O=C(Nc1ccccc1N1CCCCC1)[C@@H]1CC(=NO1)[*:1]
CCOc1cc(C)ccc1NC(=O)c1cccs1 CCO[*:1] Cc1ccc(NC(=O)c2cccs2)c(c1)[*:1]
CCOc1cc(C)ccc1NC(=O)c1cccs1 c1csc(c1)[*:1] CCOc1cc(C)ccc1NC(=O)[*:1]
CCc1nn(C)cc1NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)[C@@H](N1CC[NH+](C)CC1)[*:1]
CCc1nn(C)cc1NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 CCc1nn(C)cc1[*:1] C[NH+]1CCN(CC1)[C@@H](C(=O)N[*:1])c1ccccc1
Cc1nnc2c(NCCC[NH+]3CCN(Cc4ccccc4)CC3)nc3ccccc3n12 c1ccc(cc1)[*:1] Cc1nnc2c(nc3ccccc3n12)NCCC[NH+]1CCN(CC1)C[*:1]
Cc1nnc2c(NCCC[NH+]3CCN(Cc4ccccc4)CC3)nc3ccccc3n12 c1ccc(cc1)C[*:1] Cc1nnc2c(nc3ccccc3n12)NCCC[NH+]1CCN(CC1)[*:1]
Cn1cnnc1S[C@@H]1CCN(c2sccc2C#N)C1=O Cn1cnnc1[*:1] N#Cc1ccsc1N1CC[C@@H](S[*:1])C1=O
Cc1cccc(NC(=O)CCNC(=O)c2cnc([C@H]3CCCO3)s2)n1 Cc1cccc(n1)[*:1] O=C(CCNC(=O)c1cnc(s1)[C@H]1CCCO1)N[*:1]
C[C@H]1CN(c2ccccc2)CCN1C(=O)c1cnc(-c2cccs2)nc1[O-] c1csc(c1)[*:1] C[C@H]1CN(CCN1C(=O)c1cnc(nc1[O-])[*:1])c1ccccc1
C[C@H]1CN(c2ccccc2)CCN1C(=O)c1cnc(-c2cccs2)nc1[O-] c1ccc(cc1)[*:1] C[C@H]1CN(CCN1C(=O)c1cnc(nc1[O-])-c1cccs1)[*:1]
CNC(=S)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CNC(=S)N1N=C(C[C@H]1[*:1])c1ccc(C)cc1
CNC(=S)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 Cc1ccc(cc1)[*:1] CNC(=S)N1N=C(C[C@@H]1c1ccc(Cl)cc1)[*:1]
O=C(Cc1ccc(Cl)cc1)NNC(=O)Cn1nc2ccccn2c1=O Clc1ccc(cc1)[*:1] O=C(Cn1nc2ccccn2c1=O)NNC(=O)C[*:1]
O=C(Cc1ccc(Cl)cc1)NNC(=O)Cn1nc2ccccn2c1=O Clc1ccc(cc1)C[*:1] O=C(Cn1nc2ccccn2c1=O)NNC(=O)[*:1]
Cc1ccc(C)c(N(C)C(=O)c2cnc(N3CCOCC3)c3ccccc23)c1 C1CN(CCO1)[*:1] Cc1ccc(C)c(c1)N(C)C(=O)c1cnc(c2ccccc12)[*:1]
Cc1ccc(C)c(N(C)C(=O)c2cnc(N3CCOCC3)c3ccccc23)c1 Cc1ccc(C)c(c1)[*:1] CN(C(=O)c1cnc(c2ccccc12)N1CCOCC1)[*:1]
C[C@@H]1CC=CC[C@@H]1COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@@H]1CC=CC[C@@H]1COC(=O)C1CCN(CC1)C(=O)[*:1]
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 O=[N+]([O-])[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])[C@H]1CCCO1
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1Cl COC(=O)[*:1] O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CCC[C@H]1[*:1]
C[C@@H]1CC(C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)C[C@@H](C)O1 c1ncn(n1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 Fc1ccc(cc1)[*:1] C/C(=N\NC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(cc1)[*:1]
C[C@@H](O)C[C@@H](C)CNc1nc2cc(C(F)(F)F)ccc2s1 FC(F)(F)[*:1] C[C@@H](O)C[C@@H](C)CNc1nc2cc(ccc2s1)[*:1]
C[C@@H](O)C[C@@H](C)CNc1nc2cc(C(F)(F)F)ccc2s1 C[C@@H](O)[*:1] C[C@@H](CNc1nc2cc(ccc2s1)C(F)(F)F)C[*:1]
C[C@@H](O)C[C@@H](C)CNc1nc2cc(C(F)(F)F)ccc2s1 C[C@@H](O)C[*:1] C[C@@H](CNc1nc2cc(ccc2s1)C(F)(F)F)[*:1]
CC(C)(CNC(=O)NC[C@@H]1C[C@H]1c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)NC[C@@H]1C[C@H]1c1ccccc1)[*:1]
CC(C)(CNC(=O)NC[C@@H]1C[C@H]1c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)NC[C@@H]1C[C@@H]1[*:1])c1ccncc1
Cc1ccc(NC(=O)NC(=O)CN(C)CC[NH+]2CCCC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN(CC[NH+]1CCCC1)CC(=O)NC(=O)N[*:1]
COc1cccc(NC(=O)CN(C)c2nc3c(OC)cccc3s2)c1 COc1cccc(c1)[*:1] COc1cccc2sc(nc12)N(C)CC(=O)N[*:1]
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@@H]1c1cnn(C)c1 COC(=O)[*:1] CC1=C([C@H](NC(=S)N1c1ccc(F)cc1)c1cnn(C)c1)[*:1]
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@@H]1c1cnn(C)c1 Fc1ccc(cc1)[*:1] COC(=O)C1=C(C)N(C(=S)N[C@@H]1c1cnn(C)c1)[*:1]
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@@H]1c1cnn(C)c1 Cn1cc(cn1)[*:1] COC(=O)C1=C(C)N(C(=S)N[C@H]1[*:1])c1ccc(F)cc1
CCSC[C@H](C)N(C)C(=O)c1sc(NC(=O)c2ccco2)cc1C c1coc(c1)[*:1] CCSC[C@H](C)N(C)C(=O)c1sc(cc1C)NC(=O)[*:1]
CCSC[C@H](C)N(C)C(=O)c1sc(NC(=O)c2ccco2)cc1C CCS[*:1] Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)[C@@H](C)C[*:1]
CCSC[C@H](C)N(C)C(=O)c1sc(NC(=O)c2ccco2)cc1C O=C(N[*:1])c1ccco1 CCSC[C@H](C)N(C)C(=O)c1sc(cc1C)[*:1]
CCSC[C@H](C)N(C)C(=O)c1sc(NC(=O)c2ccco2)cc1C CCSC[*:1] Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)[C@@H](C)[*:1]
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1 CC(C)[*:1] CC[C@@H](C)NC(=O)c1ccc2c(=O)n(c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1)[*:1]
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1 Fc1cccc(Cl)c1[*:1] CC[C@@H](C)NC(=O)c1ccc2c(=O)n(c3nn(C[*:1])c(=O)n3c2c1)C(C)C
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1 Fc1cccc(Cl)c1C[*:1] CC[C@@H](C)NC(=O)c1ccc2c(=O)n(c3nn(c(=O)n3c2c1)[*:1])C(C)C
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1 CC[C@@H](C)NC(=O)[*:1] CC(C)n1c(=O)c2ccc(cc2n2c(=O)n(Cc3c(F)cccc3Cl)nc12)[*:1]
C[C@@H]1CN(C(=O)CSc2nnc(-c3ccccc3)n2N)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1nnc(n1N)[*:1]
O=C([O-])C[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CCO1 O=C([O-])C[*:1] O=S(=O)(c1cc(F)cc(F)c1)N1CCO[C@H](C1)[*:1]
O=C([O-])C[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CCO1 O=C([O-])[*:1] O=S(=O)(c1cc(F)cc(F)c1)N1CCO[C@H](C1)C[*:1]
[NH3+]CC(=O)N1CC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 C1CC1[*:1] [NH3+]CC(=O)N1CC[C@H](C1)N(C(=O)OCc1ccccc1)[*:1]
[NH3+]CC(=O)N1CC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 c1ccc(cc1)C[*:1] [NH3+]CC(=O)N1CC[C@H](C1)N(C(=O)O[*:1])C1CC1
[NH3+]CC(=O)N1CC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 c1ccc(cc1)[*:1] [NH3+]CC(=O)N1CC[C@H](C1)N(C(=O)OC[*:1])C1CC1
O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F FC(F)(F)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N1N=C2CCCC[C@@H]2[C@@]1(O)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F
CC[NH2+][C@@H](Cc1cccc(O)c1)c1ccncc1 c1cc(ccn1)[*:1] CC[NH2+][C@@H](Cc1cccc(O)c1)[*:1]
N#Cc1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 N#Cc1ccc(cc1)[*:1] O=C(COC(=O)[*:1])NC12CC3CC(CC(C3)C1)C2
CC(C)c1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])cc1 CC(C)[*:1] CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)o2)s1 c1ccc(cc1)[*:1] COC(=O)c1ccc(CSc2nnc(C[*:1])o2)s1
COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)o2)s1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(CSc2nnc(o2)[*:1])s1
COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)o2)s1 COC(=O)[*:1] c1ccc(cc1)Cc1nnc(o1)SCc1ccc(s1)[*:1]
C#CCNC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 C#CC[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F
C#CCNC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] C#CCNC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 COc1cccc(c1)[*:1] CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2[*:1]
COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 CN(C)[*:1] COc1cccc(c1)[C@@H]1C(C#N)=C(N)Oc2cc(ccc21)[*:1]
C[NH2+][C@H](c1ccccc1C)[C@@H](C)OC CO[C@H](C)[*:1] C[NH2+][C@H](c1ccccc1C)[*:1]
O=C(CCc1cccc(F)c1)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(CCc1cccc(F)c1)N[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)N1CCN(c2ccccc2O)CC1 CC(C)NC(=O)[*:1] C[C@@H](C[*:1])NC(=O)N1CCN(CC1)c1ccccc1O
CC(C)NC(=O)C[C@H](C)NC(=O)N1CCN(c2ccccc2O)CC1 CC(C)NC(=O)C[*:1] C[C@H](NC(=O)N1CCN(CC1)c1ccccc1O)[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)N1CCN(c2ccccc2O)CC1 CC(C)[*:1] C[C@@H](CC(=O)N[*:1])NC(=O)N1CCN(CC1)c1ccccc1O
CC(C)NC(=O)C[C@H](C)NC(=O)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] CC(C)NC(=O)C[C@H](C)NC(=O)N1CCN(CC1)[*:1]
O=C1[C@H](c2ccncc2)N(Cc2ccco2)C(=O)CN1c1ccccc1 c1coc(c1)[*:1] O=C1[C@H](c2ccncc2)N(C[*:1])C(=O)CN1c1ccccc1
O=C1[C@H](c2ccncc2)N(Cc2ccco2)C(=O)CN1c1ccccc1 c1cc(ccn1)[*:1] O=C1[C@H](N(Cc2ccco2)C(=O)CN1c1ccccc1)[*:1]
O=C1[C@H](c2ccncc2)N(Cc2ccco2)C(=O)CN1c1ccccc1 c1ccc(cc1)[*:1] O=C1CN(C(=O)[C@H](c2ccncc2)N1Cc1ccco1)[*:1]
O=C1[C@H](c2ccncc2)N(Cc2ccco2)C(=O)CN1c1ccccc1 c1coc(c1)C[*:1] O=C1[C@H](c2ccncc2)N(C(=O)CN1c1ccccc1)[*:1]
CC1(C)CC[NH+](CCC(=O)[O-])C1 O=C([O-])[*:1] CC1(C)CC[NH+](CC[*:1])C1
CC1(C)CC[NH+](CCC(=O)[O-])C1 O=C([O-])C[*:1] CC1(C)CC[NH+](C1)C[*:1]
C[C@H](Sc1nnnn1C)C(=O)NC[C@@H](C)c1ccccc1 Cn1nnnc1S[*:1] C[C@H](CNC(=O)[C@@H](C)[*:1])c1ccccc1
C[C@H](Sc1nnnn1C)C(=O)NC[C@@H](C)c1ccccc1 Cn1nnnc1[*:1] C[C@H](S[*:1])C(=O)NC[C@@H](C)c1ccccc1
C[C@H](Sc1nnnn1C)C(=O)NC[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnnn1C)C(=O)NC[C@@H](C)[*:1]
COc1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1OC CN(C)[*:1] COc1ccc(cc1OC)CNC(=O)c1ccc(cc1)[*:1]
COC(=O)[C@@H](C)N(C(=O)[C@@H](C)NC(=O)c1cccs1)C1CC1 c1csc(c1)[*:1] COC(=O)[C@@H](C)N(C(=O)[C@@H](C)NC(=O)[*:1])C1CC1
COC(=O)[C@@H](C)N(C(=O)[C@@H](C)NC(=O)c1cccs1)C1CC1 C1CC1[*:1] COC(=O)[C@@H](C)N(C(=O)[C@@H](C)NC(=O)c1cccs1)[*:1]
COC(=O)[C@@H](C)N(C(=O)[C@@H](C)NC(=O)c1cccs1)C1CC1 COC(=O)[C@@H](C)[*:1] C[C@@H](NC(=O)c1cccs1)C(=O)N(C1CC1)[*:1]
COC(=O)[C@@H](C)N(C(=O)[C@@H](C)NC(=O)c1cccs1)C1CC1 COC(=O)[*:1] C[C@@H](NC(=O)c1cccs1)C(=O)N(C1CC1)[C@H](C)[*:1]
O=C(Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(Cn1nc(c2sc(nc2c1=O)N1CCCC1)[*:1])Nc1ccc2OCOc2c1
O=C(Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Cn1nc(-c2ccccc2)c2sc(nc2c1=O)N1CCCC1)N[*:1]
O=C(Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O)Nc1ccc2c(c1)OCO2 C1CCN(C1)[*:1] O=C(Cn1nc(-c2ccccc2)c2sc(nc2c1=O)[*:1])Nc1ccc2OCOc2c1
CC(C)c1[nH+]ccn1[C@H](C)C(=O)Nc1ncc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] CC(C)c1[nH+]ccn1[C@H](C)C(=O)Nc1ncc(s1)[*:1]
CC(C)c1[nH+]ccn1[C@H](C)C(=O)Nc1ncc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)c1[nH+]ccn1[C@H](C)C(=O)Nc1ncc(C[*:1])s1
CC(C)c1[nH+]ccn1[C@H](C)C(=O)Nc1ncc(Cc2ccccc2)s1 CC(C)[*:1] C[C@H](C(=O)Nc1ncc(Cc2ccccc2)s1)n1cc[nH+]c1[*:1]
Cc1cc(C(=O)NNC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)[*:1]
Cc1cc(C(=O)NNC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)o1 O=[N+]([O-])[*:1] Cc1cc(C(=O)NNC(=O)/C=C/c2ccccc2[*:1])c(C)o1
CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)c3c(OC)cccc3OC)C[C@@H]12 COc1cccc(OC)c1[*:1] CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C[C@@H]12)C(=O)[*:1]
Cc1nc(C)c(-c2nnc(NC(=O)COc3ccc(C)c(C)c3)o2)s1 Cc1ccc(cc1C)[*:1] Cc1nc(C)c(s1)-c1nnc(NC(=O)CO[*:1])o1
Cc1nc(C)c(-c2nnc(NC(=O)COc3ccc(C)c(C)c3)o2)s1 Cc1nc(C)c(s1)[*:1] Cc1ccc(cc1C)OCC(=O)Nc1nnc(o1)[*:1]
O=c1[nH]c2ccccc2c(=O)n1Cc1ccnc(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] O=c1[nH]c2ccccc2c(=O)n1Cc1ccnc(c1)[*:1]
O=c1[nH]c2ccccc2c(=O)n1Cc1ccnc(OCC(F)(F)F)c1 FC(F)(F)C[*:1] O=c1[nH]c2ccccc2c(=O)n1Cc1ccnc(c1)O[*:1]
O=c1[nH]c2ccccc2c(=O)n1Cc1ccnc(OCC(F)(F)F)c1 FC(F)(F)[*:1] O=c1[nH]c2ccccc2c(=O)n1Cc1ccnc(c1)OC[*:1]
CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](Cc2ccc([N+](=O)[O-])c(F)c2)C1 O=[N+]([O-])[*:1] CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](Cc2ccc(c(F)c2)[*:1])C1
CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](Cc2ccc([N+](=O)[O-])c(F)c2)C1 CC(C)[*:1] [NH3+][C@@H]1CC[C@@H](C[C@H]1Cc1ccc(c(F)c1)[N+](=O)[O-])[*:1]
C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1c1cccs1 [O-]c1ccc(Cl)cc1[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccs1
C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1c1cccs1 c1csc(c1)[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2cc(Cl)ccc2[O-])[C@H]1[*:1]
CCS[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)COC3)C1 CCS[*:1] O=C(Nc1ccc2COCc2c1)N[C@H]1CC[C@H](C1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NC[C@H]1COc2ccccc2O1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)NC[C@H]1COc2ccccc2O1)[*:1]
Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(F)c(Cl)c4)C3)s2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(F)c(Cl)c4)C3)s2)cc1 Fc1ccc(cc1Cl)[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(F)c(Cl)c4)C3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(F)c(Cl)c1
Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 Fc1ccc(nc1)N[*:1] Cc1cc(cc(n1)[C@@H]1CCCN1C(=O)CCc1nnc(o1)C(C)C)[*:1]
Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 CC(C)c1nnc(CC[*:1])o1 Cc1cc(cc(n1)[C@@H]1CCCN1C(=O)[*:1])Nc1ccc(F)cn1
Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 CC(C)c1nnc(C[*:1])o1 Cc1cc(cc(n1)[C@@H]1CCCN1C(=O)C[*:1])Nc1ccc(F)cn1
Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 CC(C)[*:1] Cc1cc(cc(n1)[C@@H]1CCCN1C(=O)CCc1nnc(o1)[*:1])Nc1ccc(F)cn1
Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 CC(C)c1nnc(o1)[*:1] Cc1cc(cc(n1)[C@@H]1CCCN1C(=O)CC[*:1])Nc1ccc(F)cn1
Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 Fc1ccc(nc1)[*:1] Cc1cc(cc(n1)[C@@H]1CCCN1C(=O)CCc1nnc(o1)C(C)C)N[*:1]
C[C@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 CS(=O)(=O)[*:1] C[C@H]([NH2+]CC(=O)Nc1cccc(c1)[*:1])c1ccc2OCCOc2c1
O=C(CN[C@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1)NC1CC1 O=C(NC1CC1)[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCCC[C@@H]1NC[*:1]
O=C(CN[C@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1)NC1CC1 C1CC1[*:1] O=C(CN[C@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1)N[*:1]
Cc1csc2[nH+]c(CN3CCC[C@@H](C(=O)Nc4cnccn4)C3)cc(=O)n12 O=C(Nc1cnccn1)[*:1] Cc1csc2[nH+]c(cc(=O)n12)CN1CCC[C@@H](C1)[*:1]
Cc1csc2[nH+]c(CN3CCC[C@@H](C(=O)Nc4cnccn4)C3)cc(=O)n12 c1cnc(cn1)[*:1] Cc1csc2[nH+]c(cc(=O)n12)CN1CCC[C@H](C1)C(=O)N[*:1]
Cc1cccc(CNC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1 Cc1cccc(c1)[*:1] CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NC[*:1])O1
Cc1cccc(CNC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1 CN(C)C(=O)[*:1] Cc1cccc(c1)CNC(=O)NC[C@H]1CC[C@H](O1)[*:1]
Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)nc1 Cc1ccc(nc1)[*:1] C[C@@H](Oc1ccc2CCCc2c1)C(=O)N[*:1]
CCCn1nnnc1NC(=O)c1cccc(OCC(C)C)c1 CC(C)[*:1] CCCn1nnnc1NC(=O)c1cccc(c1)OC[*:1]
CCCn1nnnc1NC(=O)c1cccc(OCC(C)C)c1 CCC[*:1] CC(C)COc1cccc(c1)C(=O)Nc1nnnn1[*:1]
CCCn1nnnc1NC(=O)c1cccc(OCC(C)C)c1 CC(C)CO[*:1] CCCn1nnnc1NC(=O)c1cccc(c1)[*:1]
CCCn1nnnc1NC(=O)c1cccc(OCC(C)C)c1 CC(C)C[*:1] CCCn1nnnc1NC(=O)c1cccc(c1)O[*:1]
CCOC(=O)C[C@@H](C)NC(=O)c1cnc([C@@H]2CCCO2)s1 CCOC(=O)C[*:1] C[C@@H](NC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
CCOC(=O)C[C@@H](C)NC(=O)c1cnc([C@@H]2CCCO2)s1 CCOC(=O)[*:1] C[C@H](C[*:1])NC(=O)c1cnc(s1)[C@@H]1CCCO1
CCOC(=O)C[C@@H](C)NC(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CCOC(=O)C[C@@H](C)NC(=O)c1cnc(s1)[*:1]
CC(C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCCCC1 CC(C)C(=O)N[*:1] C[C@H](NC(=O)C[*:1])C(=O)N1CCCCC1
CC(C)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCCCC1 CC(C)[*:1] C[C@H](NC(=O)CNC(=O)[*:1])C(=O)N1CCCCC1
Cc1ccc(CN(C)C(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 Cc1ccc(cc1)C[*:1] CN(C(=O)C[NH+]1CCC(CC1)c1nc2ccccc2s1)[*:1]
Cc1ccc(CN(C)C(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)C[NH+]1CCC(CC1)c1nc2ccccc2s1
Cc1ccc(CN(C)C(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 c1ccc2sc(nc2c1)[*:1] Cc1ccc(cc1)CN(C)C(=O)C[NH+]1CCC(CC1)[*:1]
Cc1ccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccccc4)nc3C#N)CC2)cc1 Cc1ccc(cc1)OC[*:1] N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(CC1)C(=O)[*:1]
Cc1ccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccccc4)nc3C#N)CC2)cc1 Cc1ccc(cc1)O[*:1] N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccccc4)nc3C#N)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OCC(=O)N1CCN(CC1)c1oc(C=C[*:1])nc1C#N
Cc1ccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccccc4)nc3C#N)CC2)cc1 Cc1ccc(cc1)[*:1] N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(CC1)C(=O)CO[*:1]
Cc1ccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccccc4)nc3C#N)CC2)cc1 C(=C[*:1])c1ccccc1 Cc1ccc(cc1)OCC(=O)N1CCN(CC1)c1oc(nc1C#N)[*:1]
COc1cc(C)c(C(=O)N[C@@H](C)C(C)(C)C)cc1OC CC(C)(C)[*:1] COc1cc(C)c(cc1OC)C(=O)N[C@@H](C)[*:1]
COc1cc(C)c(C(=O)N[C@@H](C)C(C)(C)C)cc1OC C[C@@H](C(C)(C)C)[*:1] COc1cc(C)c(cc1OC)C(=O)N[*:1]
C[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@H](c3ccco3)C2)o1 C[C@@H]1C[C@H]1[*:1] c1coc(c1)[C@@H]1CN(CCO1)Cc1ccc(o1)[*:1]
C[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@H](c3ccco3)C2)o1 c1coc(c1)[*:1] C[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@H](C2)[*:1])o1
COC1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 O=C(NC1CC1)[*:1] COC1CCN(CC1)[C@H](c1ccccc1)[*:1]
COC1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 c1ccc(cc1)[*:1] COC1CCN(CC1)[C@H](C(=O)NC1CC1)[*:1]
COC1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 C1CC1[*:1] COC1CCN(CC1)[C@H](C(=O)N[*:1])c1ccccc1
CCOC(=O)C(C(=O)OCC)[C@@]1(O)CCCC1(C)C CCOC(=O)[*:1] CCOC(=O)C([C@@]1(O)CCCC1(C)C)[*:1]
CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC[C@@H](O)C2)cc1 CC(C)(C)[*:1] O=C(NCC(=O)N1CCC[C@@H](O)C1)c1ccc(cc1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2cccs2)C1 c1csc(c1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[NH2+]CC[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2cccs2)C1 CS(=O)(=O)[*:1] c1csc(c1)CC[NH2+][C@@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2cccs2)C1 c1csc(c1)C[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[NH2+]C[*:1]
COC(=O)c1ccc(CNc2cccc(Br)c2)nc1 COC(=O)[*:1] Brc1cccc(c1)NCc1ccc(cn1)[*:1]
Cc1ccc(CCNC(=O)Cn2c(=O)c(=O)n(Cc3ccc(Cl)cc3)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NCC[*:1]
Cc1ccc(CCNC(=O)Cn2c(=O)c(=O)n(Cc3ccc(Cl)cc3)c3ccccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NC[*:1]
Cc1ccc(CCNC(=O)Cn2c(=O)c(=O)n(Cc3ccc(Cl)cc3)c3ccccc32)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)CCNC(=O)Cn1c(=O)c(=O)n(C[*:1])c2ccccc21
Cc1ccc(CCNC(=O)Cn2c(=O)c(=O)n(Cc3ccc(Cl)cc3)c3ccccc32)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1)CCNC(=O)Cn1c(=O)c(=O)n(c2ccccc21)[*:1]
Cc1ccc(CCNC(=O)Cn2c(=O)c(=O)n(Cc3ccc(Cl)cc3)c3ccccc32)cc1 Cc1ccc(cc1)CC[*:1] O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N[*:1]
CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccccc5Cl)no4)cnc32)cc1 CCO[*:1] O=c1c2nnn(-c3ccc(cc3)[*:1])c2ncn1Cc1nc(no1)-c1ccccc1Cl
CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccccc5Cl)no4)cnc32)cc1 CCOc1ccc(cc1)[*:1] O=c1c2nnn(c2ncn1Cc1nc(no1)-c1ccccc1Cl)[*:1]
CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccccc5Cl)no4)cnc32)cc1 Clc1ccccc1[*:1] CCOc1ccc(cc1)-n1nnc2c(=O)n(cnc21)Cc1nc(no1)[*:1]
CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@@H](OCC)C23CCCCC3)CC1 CCNC(=O)C[*:1] CCO[C@@H]1C[C@H](NC(=O)N2CCN(CC2)[*:1])C12CCCCC2
CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@@H](OCC)C23CCCCC3)CC1 CCO[*:1] CCNC(=O)CN1CCN(CC1)C(=O)N[C@H]1C[C@@H](C12CCCCC2)[*:1]
CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@@H](OCC)C23CCCCC3)CC1 CCNC(=O)[*:1] CCO[C@@H]1C[C@H](NC(=O)N2CCN(CC2)C[*:1])C12CCCCC2
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2[N+](=O)[O-])N1CCN1CCOCC1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])c1ccccc1[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccccc1[N+](=O)[O-]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2ccccc2[N+](=O)[O-])N1CCN1CCOCC1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1[N+](=O)[O-]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1[*:1]
CCCc1c(C(=O)NNc2cccc(C)c2)cnn1Cc1ccccc1 c1ccc(cc1)C[*:1] CCCc1c(cnn1[*:1])C(=O)NNc1cccc(C)c1
CCCc1c(C(=O)NNc2cccc(C)c2)cnn1Cc1ccccc1 Cc1cccc(c1)[*:1] CCCc1c(cnn1Cc1ccccc1)C(=O)NN[*:1]
CCCc1c(C(=O)NNc2cccc(C)c2)cnn1Cc1ccccc1 CCC[*:1] Cc1cccc(c1)NNC(=O)c1cnn(Cc2ccccc2)c1[*:1]
CCCc1c(C(=O)NNc2cccc(C)c2)cnn1Cc1ccccc1 c1ccc(cc1)[*:1] CCCc1c(cnn1C[*:1])C(=O)NNc1cccc(C)c1
O=C(CCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCNC(=O)[C@H]1CN(CCO1)Cc1ccccc1)N[*:1]
O=C(CCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCNC(=O)[C@H]1CN(CCO1)C[*:1])Nc1ccccc1
O=C(CCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCNC(=O)[C@H]1CN(CCO1)[*:1])Nc1ccccc1
O=C(CCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(NCC[*:1])[C@H]1CN(CCO1)Cc1ccccc1
Cc1ccc(-n2nnnc2NC[C@H](C)CC2(C)OCCO2)cc1 CC1(C[*:1])OCCO1 Cc1ccc(cc1)-n1nnnc1NC[C@H](C)[*:1]
Cc1ccc(-n2nnnc2NC[C@H](C)CC2(C)OCCO2)cc1 CC1(OCCO1)[*:1] Cc1ccc(cc1)-n1nnnc1NC[C@H](C)C[*:1]
Cc1ccc(-n2nnnc2NC[C@H](C)CC2(C)OCCO2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CNc1nnnn1[*:1])CC1(C)OCCO1
Cc1nc2c(=O)n(CC(=O)NCc3cccs3)nc(-c3cccs3)c2s1 c1csc(c1)C[*:1] Cc1nc2c(=O)n(CC(=O)N[*:1])nc(-c3cccs3)c2s1
Cc1nc2c(=O)n(CC(=O)NCc3cccs3)nc(-c3cccs3)c2s1 c1csc(c1)[*:1] Cc1nc2c(=O)n(CC(=O)NCc3cccs3)nc(c2s1)[*:1]
Cc1nc2c(=O)n(CC(=O)NCc3cccs3)nc(-c3cccs3)c2s1 c1csc(c1)[*:1] Cc1nc2c(=O)n(CC(=O)NC[*:1])nc(-c3cccs3)c2s1
CC[C@H]1CCCCN1C(=S)Nc1ccccc1C(C)C CC(C)[*:1] CC[C@H]1CCCCN1C(=S)Nc1ccccc1[*:1]
CCCCN(CCO)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C CCC[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(CCO)C[*:1]
CCCCN(CCO)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C CCCC[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(CCO)[*:1]
CCCCN(CCO)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C OCC[*:1] CCCCN(C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C)[*:1]
Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)c1 Cc1ccc(C)c(c1)[*:1] C[C@H]1CCCCN1c1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)c1 C[C@H]1CCCCN1[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
CCNc1nnc(S[C@@H](C)C(=O)NCc2ccccc2F)s1 CCN[*:1] C[C@H](Sc1nnc(s1)[*:1])C(=O)NCc1ccccc1F
CCNc1nnc(S[C@@H](C)C(=O)NCc2ccccc2F)s1 Fc1ccccc1[*:1] CCNc1nnc(S[C@@H](C)C(=O)NC[*:1])s1
COc1ccc(C)cc1[C@H](C)NC(=O)NCc1c(C)nn(-c2ccccc2)c1C COc1ccc(C)cc1[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@@H](C)[*:1]
COc1ccc(C)cc1[C@H](C)NC(=O)NCc1c(C)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] COc1ccc(C)cc1[C@H](C)NC(=O)NCc1c(C)nn(c1C)[*:1]
CC(C)=CCC[C@H](C)[NH2+][C@H]1CCN(C)C1=O CC(C)=CC[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CCN(C)C1=O
CC(C)=CCC[C@H](C)[NH2+][C@H]1CCN(C)C1=O CC(C)=C[*:1] C[C@@H](CC[*:1])[NH2+][C@H]1CCN(C)C1=O
c1ccc(-c2cccc(CN3CCOCC34CCC4)c2)nc1 c1ccc(nc1)[*:1] c1cc(cc(c1)[*:1])CN1CCOCC12CCC2
CCN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)Cc1cc(OC)c(OC)c(c1)OC)[*:1]
COc1cccc(CC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)c1 C1CCC(C1)[*:1] COc1cccc(c1)CC(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
COc1cccc(CC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)c1 C1CCC(C1)O[*:1] COc1cccc(c1)CC(=O)N[C@@H]1CCCC[C@H]1[*:1]
COc1cccc(CC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
CCCCNC(=O)Nc1ccc(-c2nc3c([nH]2)CC[NH2+]C3)cc1 CCC[*:1] O=C(NC[*:1])Nc1ccc(cc1)-c1nc2C[NH2+]CCc2[nH]1
CCCCNC(=O)Nc1ccc(-c2nc3c([nH]2)CC[NH2+]C3)cc1 CCCC[*:1] O=C(Nc1ccc(cc1)-c1nc2C[NH2+]CCc2[nH]1)N[*:1]
CN(Cc1ccc(O)cc1)C(=O)NCc1ccccc1C[NH+](C)C Oc1ccc(cc1)C[*:1] CN(C(=O)NCc1ccccc1C[NH+](C)C)[*:1]
CN(Cc1ccc(O)cc1)C(=O)NCc1ccccc1C[NH+](C)C Oc1ccc(cc1)[*:1] CN(C[*:1])C(=O)NCc1ccccc1C[NH+](C)C
O=C(Nc1ccc(N2CCOCC2)nc1)c1cc2cccc(Cl)c2o1 C1CN(CCO1)[*:1] O=C(Nc1ccc(nc1)[*:1])c1cc2cccc(Cl)c2o1
c1ccc([C@@H]2[C@@H](c3ccccc3)[n+]3ccccc3-c3cccc[n+]32)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)[C@@H]1[C@H]([n+]2ccccc2-c2cccc[n+]21)[*:1]
CC[C@H](C)[C@H](C(=O)Nc1cc(Cl)ccc1C)N1C(=O)c2ccccc2C1=O Cc1ccc(Cl)cc1[*:1] CC[C@H](C)[C@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CC[C@H](C)[C@H](C(=O)Nc1cc(Cl)ccc1C)N1C(=O)c2ccccc2C1=O CC[C@H](C)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
Cc1c(C(=O)NCCc2cccc(O)c2)oc2ccccc12 Oc1cccc(c1)[*:1] Cc1c(oc2ccccc12)C(=O)NCC[*:1]
Cc1ncc(-c2ccc(NC(=O)[C@H]3CSCN3C(=O)c3c[nH]c4ccccc34)cc2)o1 c1ccc2c(c[nH]c2c1)[*:1] Cc1ncc(o1)-c1ccc(cc1)NC(=O)[C@H]1CSCN1C(=O)[*:1]
Cc1ncc(-c2ccc(NC(=O)[C@H]3CSCN3C(=O)c3c[nH]c4ccccc34)cc2)o1 Cc1ncc(o1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12
COC(=O)CCOc1ccc(NC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)cc1 COC(=O)CCO[*:1] O=C(Nc1ccc(cc1)[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
COC(=O)CCOc1ccc(NC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)cc1 COC(=O)C[*:1] O=C(Nc1ccc(cc1)OC[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
COC(=O)CCOc1ccc(NC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)cc1 COC(=O)CC[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
COC(=O)CCOc1ccc(NC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)OCC[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
Cc1nc(-c2ccc(-c3noc(C4CC4)n3)cc2)cs1 Cc1nc(cs1)[*:1] c1cc(ccc1-c1noc(n1)C1CC1)[*:1]
Cc1nc(-c2ccc(-c3noc(C4CC4)n3)cc2)cs1 C1CC1[*:1] Cc1nc(cs1)-c1ccc(cc1)-c1noc(n1)[*:1]
CCCOc1cccc(/C=C(/C#N)C(=O)NC)c1 CCCO[*:1] CNC(=O)/C(C#N)=C\c1cccc(c1)[*:1]
CCCOc1cccc(/C=C(/C#N)C(=O)NC)c1 CNC(=O)[*:1] CCCOc1cccc(C=C(C#N)[*:1])c1
CCCOc1cccc(/C=C(/C#N)C(=O)NC)c1 CCC[*:1] CNC(=O)/C(C#N)=C\c1cccc(c1)O[*:1]
CCOc1nnnn1-c1ccccc1 CCO[*:1] c1ccc(cc1)-n1nnnc1[*:1]
C[C@@H](NC(=O)Cn1cnnn1)c1ccc(C(F)(F)F)cc1 c1nnnn1C[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)C(F)(F)F
C[C@@H](NC(=O)Cn1cnnn1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)Cn1cnnn1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)Cn1cnnn1)c1ccc(C(F)(F)F)cc1 c1nnnn1[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)C(F)(F)F
CN(CC(C)(C)O)C(=O)c1cc2cc(N)ccc2o1 CC(C)(O)[*:1] CN(C[*:1])C(=O)c1cc2cc(N)ccc2o1
CN(CC(C)(C)O)C(=O)c1cc2cc(N)ccc2o1 CC(C)(O)C[*:1] CN(C(=O)c1cc2cc(N)ccc2o1)[*:1]
CCOC(=O)/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1 CCOC(=O)[*:1] O=C(C=C[*:1])Nc1ccc(Cl)c(Cl)c1
Cc1cc2c(c3c1C(=O)/C(=C/c1ccncc1)O3)CN([C@@H]1CCS(=O)(=O)C1)CO2 c1cc(ccn1)[*:1] Cc1cc2OCN(Cc2c2OC(=C[*:1])C(=O)c12)[C@@H]1CCS(=O)(=O)C1
C[NH+](C)C1(CNC(=O)c2ccccc2CN2C(=O)CNC2=O)CCCCCC1 O=C1CNC(=O)N1[*:1] C[NH+](C)C1(CCCCCC1)CNC(=O)c1ccccc1C[*:1]
C[NH+](C)C1(CNC(=O)c2ccccc2CN2C(=O)CNC2=O)CCCCCC1 O=C1CNC(=O)N1C[*:1] C[NH+](C)C1(CCCCCC1)CNC(=O)c1ccccc1[*:1]
CNS(=O)(=O)c1ccccc1CN[C@H](C)c1nccs1 CNS(=O)(=O)[*:1] C[C@@H](NCc1ccccc1[*:1])c1nccs1
CNS(=O)(=O)c1ccccc1CN[C@H](C)c1nccs1 c1csc(n1)[*:1] CNS(=O)(=O)c1ccccc1CN[C@H](C)[*:1]
O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)[C@@H]1CCCO1 Clc1ccc(cc1)C[*:1] O=C(NCCc1nc2ccccc2n1[*:1])[C@@H]1CCCO1
O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])[C@@H]1CCCO1
C[C@H](Oc1ccccc1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
C[C@H](Oc1ccccc1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C c1ccc(cc1)O[*:1] C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[*:1]
C[C@H](Oc1ccccc1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NC[C@@H](c1ccccc1)[NH+](C)C
O=c1c2cnn(-c3ccc(Cl)cc3)c2ncn1Cc1cccc2ccccc12 Clc1ccc(cc1)[*:1] O=c1c2cnn(c2ncn1Cc1cccc2ccccc12)[*:1]
O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(Cl)cc1C(=O)[O-] O=C([O-])[*:1] O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(Cl)cc1[*:1]
O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(Cl)cc1C(=O)[O-] Brc1ccc(cc1)O[*:1] O=C(C[*:1])NC(=S)Nc1ccc(Cl)cc1C(=O)[O-]
O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(Cl)cc1C(=O)[O-] Brc1ccc(cc1)[*:1] O=C(CO[*:1])NC(=S)Nc1ccc(Cl)cc1C(=O)[O-]
O=Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1 Clc1ccccc1[*:1] O=Cc1ccc(OCC(=O)N[*:1])c(Br)c1
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(=S)Nc1ccccc1 Clc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)NC(=S)Nc1ccccc1)[*:1]
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(=S)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)NC(=S)N[*:1])-c1c(Cl)cccc1Cl
CCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 CCC[C@@H](C)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1
CCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 CCC[*:1] C[C@@H](NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[*:1])C1
N#CCN(C(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1ccccc1 C1CC1[*:1] N#CCN(C(=O)c1cc(nc2ccc(F)cc12)[*:1])c1ccccc1
N#CCN(C(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1ccccc1 N#CC[*:1] O=C(c1cc(nc2ccc(F)cc12)C1CC1)N(c1ccccc1)[*:1]
N#CCN(C(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1ccccc1 c1ccc(cc1)[*:1] N#CCN(C(=O)c1cc(nc2ccc(F)cc12)C1CC1)[*:1]
C[C@H](C(=O)NCc1cccs1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 c1csc(c1)C[*:1] C[C@H](C(=O)N[*:1])N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2
C[C@H](C(=O)NCc1cccs1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 O=C(NCc1cccs1)[*:1] C[C@H](N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)[*:1]
C[C@H](C(=O)NCc1cccs1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 c1csc(c1)[*:1] C[C@H](C(=O)NC[*:1])N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2
COc1cc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)ccc1OCc1ccc(Cl)cc1Cl Clc1ccc(C[*:1])c(Cl)c1 COc1cc(ccc1O[*:1])[C@H]1C(C(N)=O)=C(C)N=C2N=CNN21
COc1cc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)ccc1OCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COc1cc(ccc1OC[*:1])[C@H]1C(C(N)=O)=C(C)N=C2N=CNN21
COc1cc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)ccc1OCc1ccc(Cl)cc1Cl Clc1ccc(CO[*:1])c(Cl)c1 COc1cc(ccc1[*:1])[C@H]1C(C(N)=O)=C(C)N=C2N=CNN21
COc1cc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)ccc1OCc1ccc(Cl)cc1Cl NC(=O)[*:1] COc1cc(ccc1OCc1ccc(Cl)cc1Cl)[C@H]1C(=C(C)N=C2N=CNN21)[*:1]
CC(C)(C(=O)N1CCc2ccc(N)cc2C1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(C(=O)N1CCc2ccc(N)cc2C1)[*:1]
Cc1ccccc1C(=O)CS[C@@H](C)CCO C[C@@H](CCO)[*:1] Cc1ccccc1C(=O)CS[*:1]
Cc1ccccc1C(=O)CS[C@@H](C)CCO OCC[*:1] Cc1ccccc1C(=O)CS[C@@H](C)[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)NCc1cc(F)cc(OC)c1 CCC[*:1] COc1cc(F)cc(c1)CNC(=O)c1ccccc1S(=O)(=O)[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)NCc1cc(F)cc(OC)c1 CCCS(=O)(=O)[*:1] COc1cc(F)cc(c1)CNC(=O)c1ccccc1[*:1]
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1F)NCC(F)(F)F FC(F)(F)[*:1] O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1F)NC[*:1]
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1F)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1F)N[*:1]
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1F)NCC(F)(F)F Fc1ccccc1[*:1] O=C(CN(c1ccccc1)S(=O)(=O)[*:1])NCC(F)(F)F
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1F)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] O=S(=O)(c1ccccc1F)N(C[*:1])c1ccccc1
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1F)NCC(F)(F)F c1ccc(cc1)[*:1] O=C(CN(S(=O)(=O)c1ccccc1F)[*:1])NCC(F)(F)F
COc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(C)c(C)c3)o2)cc1OC Cc1ccc(cc1C)[*:1] COc1ccc(cc1OC)-c1nnc(o1)S[C@H](C)C(=O)[*:1]
CCOC[C@H]1CCCN(S(=O)(=O)c2ccc(CC#N)cc2)C1 N#CC[*:1] CCOC[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
CCOC[C@H]1CCCN(S(=O)(=O)c2ccc(CC#N)cc2)C1 CCOC[*:1] N#CCc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(S(=O)(=O)c2ccc(CC#N)cc2)C1 CCO[*:1] N#CCc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C[*:1]
COc1ccc(CNC(=O)COc2c(C)cc(Cl)cc2C=O)cc1 COc1ccc(cc1)[*:1] Cc1cc(Cl)cc(C=O)c1OCC(=O)NC[*:1]
O=C(CCc1ccsc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 c1cc(cs1)C[*:1] O=C(C[*:1])N1Cc2ccccc2[C@@H](C1)c1ccccc1
O=C(CCc1ccsc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CCc1ccsc1)N1Cc2ccccc2[C@H](C1)[*:1]
O=C(CCc1ccsc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 c1cc(cs1)CC[*:1] O=C(N1Cc2ccccc2[C@@H](C1)c1ccccc1)[*:1]
O=C(CCc1ccsc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 c1cc(cs1)[*:1] O=C(CC[*:1])N1Cc2ccccc2[C@@H](C1)c1ccccc1
O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)[*:1]
O=C(NC[C@@H]1CC[C@H](C(=O)[O-])O1)Nc1ncccn1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1CC[C@@H](O1)C(=O)[O-])N[*:1]
O=C(NC[C@@H]1CC[C@H](C(=O)[O-])O1)Nc1ncccn1 O=C([O-])[*:1] O=C(NC[C@@H]1CC[C@H](O1)[*:1])Nc1ncccn1
CC(C)(C)CC(C)(C)[NH2+]C1CCCC1 CC(C)(C)[*:1] CC(C)(C[*:1])[NH2+]C1CCCC1
C[C@@H](Nc1ccc(CC#N)cc1)C(=O)NCCC1=CCCCC1 N#CC[*:1] C[C@@H](Nc1ccc(cc1)[*:1])C(=O)NCCC1=CCCCC1
O=C(COc1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(COc1cccc(Cl)c1)Nc1ccccc1[*:1]
O=C(COc1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] Clc1cccc(c1)[*:1] O=C(CO[*:1])Nc1ccccc1[N+](=O)[O-]
COCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O COCC[*:1] C[C@@H](C(=O)N[C@H]1CCN(C1=O)c1ccccc1)[*:1]
COCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O COCC[C@@H](C)[*:1] O=C1[C@H](CCN1c1ccccc1)NC(=O)[*:1]
COCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] COCC[C@@H](C)C(=O)N[C@H]1CCN(C1=O)[*:1]
COCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O COC[*:1] C[C@H](C[*:1])C(=O)N[C@H]1CCN(C1=O)c1ccccc1
CC1CC(NC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 CC1CC(C1)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1ccco1
CC1CC(NC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 c1coc(c1)[*:1] CC1CC(C1)NC(=O)c1cccc(c1)NC(=O)[*:1]
Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3N2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H]1C[C@H](n2nc(cc2N1)C(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1]
Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3N2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1C[C@@H](n2nc(cc2N1)C(=O)N1CCN(CC1)[*:1])C(F)(F)F
Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3N2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1])N1CCN(CC1)c1ccc(F)cc1
COC[C@@H](C)C[NH2+]C[C@@H]1CSc2ccccc21 COC[*:1] C[C@@H](C[NH2+]C[C@@H]1CSc2ccccc21)[*:1]
COC[C@@H](C)C[NH2+]C[C@@H]1CSc2ccccc21 COC[C@@H](C)[*:1] c1ccc2c(c1)SC[C@H]2C[NH2+]C[*:1]
O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccnc1Cl Clc1ncccc1[*:1] O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[*:1]
O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccnc1Cl Fc1ccc(cc1)C[*:1] O=C(Nc1nnc(S[*:1])s1)c1cccnc1Cl
O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccnc1Cl Fc1ccc(cc1)[*:1] O=C(Nc1nnc(SC[*:1])s1)c1cccnc1Cl
O=C(COc1cc(Cl)ccc1Cl)NCCc1ccccn1 c1ccc(C[*:1])nc1 O=C(COc1cc(Cl)ccc1Cl)NC[*:1]
O=C(COc1cc(Cl)ccc1Cl)NCCc1ccccn1 c1ccc(nc1)[*:1] O=C(COc1cc(Cl)ccc1Cl)NCC[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2cccn2C)C1 COCC[*:1] Cn1cccc1CCC(=O)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2cccn2C)C1 Cn1cccc1C[*:1] COCCn1cc[nH+]c1[C@@H]1CCCN(C1)C(=O)C[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2cccn2C)C1 Cn1cccc1CC[*:1] COCCn1cc[nH+]c1[C@@H]1CCCN(C1)C(=O)[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2cccn2C)C1 COC[*:1] Cn1cccc1CCC(=O)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2cccn2C)C1 Cn1cccc1[*:1] COCCn1cc[nH+]c1[C@@H]1CCCN(C1)C(=O)CC[*:1]
Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCCCC1 CC(C)[*:1] Cc1nn(CC(=O)O[*:1])c(C)c1C[NH+]1CCCCC1
Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCCCC1 CC(C)OC(=O)C[*:1] Cc1nn(c(C)c1C[NH+]1CCCCC1)[*:1]
Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCCCC1 CC(C)OC(=O)[*:1] Cc1nn(C[*:1])c(C)c1C[NH+]1CCCCC1
CCOC[C@@H]1CCN(C(=O)NCCCc2nc3c(s2)CCCC3)C1 CCOC[*:1] O=C(NCCCc1nc2CCCCc2s1)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)NCCCc2nc3c(s2)CCCC3)C1 CCO[*:1] O=C(NCCCc1nc2CCCCc2s1)N1CC[C@H](C1)C[*:1]
O=C([O-])C(Cl)(c1ccccc1)c1ccccc1 O=C([O-])[*:1] ClC(c1ccccc1)(c1ccccc1)[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 C[C@@H](NS(C)(=O)=O)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-n1cncn1
C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 CS(=O)(=O)N[*:1] C[C@@H](NC(=O)[C@H](C)[*:1])c1ccc(cc1)-n1cncn1
CCNC(=O)c1ccc(CNC(=O)N[C@@H]2CCCC2(C)C)cc1 CCNC(=O)[*:1] CC1(C)CCC[C@H]1NC(=O)NCc1ccc(cc1)[*:1]
C[C@@H]1CCN(CCCN2C(=O)CNC2=O)c2ccccc21 O=C1CNC(=O)N1[*:1] C[C@@H]1CCN(CCC[*:1])c2ccccc21
COc1cccc(CSc2nc3ccccc3c(=O)n2CCC(=O)[O-])c1 O=C([O-])CC[*:1] COc1cccc(c1)CSc1nc2ccccc2c(=O)n1[*:1]
COc1cccc(CSc2nc3ccccc3c(=O)n2CCC(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)CSc1nc2ccccc2c(=O)n1CC[*:1]
COc1cccc(CSc2nc3ccccc3c(=O)n2CCC(=O)[O-])c1 O=C([O-])C[*:1] COc1cccc(c1)CSc1nc2ccccc2c(=O)n1C[*:1]
COc1cccc(CSc2nc3ccccc3c(=O)n2CCC(=O)[O-])c1 COc1cccc(c1)[*:1] O=C([O-])CCn1c(nc2ccccc2c1=O)SC[*:1]
CCCC1CCC([NH+]2CCN(Cc3[nH+]ccn3C)CC2)CC1 CCC[*:1] Cn1cc[nH+]c1CN1CC[NH+](CC1)C1CCC(CC1)[*:1]
COC(=O)c1ccccc1NC(=O)CN(C)C(=O)c1ccc(F)cc1 COC(=O)[*:1] CN(CC(=O)Nc1ccccc1[*:1])C(=O)c1ccc(F)cc1
COC(=O)c1ccccc1NC(=O)CN(C)C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)CN(C)C(=O)[*:1]
O=C(Nc1ccccc1OCC1CC1)c1cnccn1 C1CC1[*:1] O=C(Nc1ccccc1OC[*:1])c1cnccn1
O=C(Nc1ccccc1OCC1CC1)c1cnccn1 C1CC1C[*:1] O=C(Nc1ccccc1O[*:1])c1cnccn1
O=C(Nc1ccccc1OCC1CC1)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1ccccc1OCC1CC1)[*:1]
O=C(Nc1ccccc1OCC1CC1)c1cnccn1 C1CC1CO[*:1] O=C(Nc1ccccc1[*:1])c1cnccn1
COc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 COc1ccccc1[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)CO[*:1]
COc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 CC(=O)[*:1] COc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)c(s1)[*:1]
COc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 c1ccc(cc1)[*:1] COc1ccccc1OCC(=O)Nc1nc(c(s1)C(C)=O)[*:1]
COc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 COc1ccccc1O[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)C[*:1]
O=C(N/N=C1\CCCc2ccccc21)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(N/N=C1\CCCc2ccccc21)[*:1]
CN(C(=O)NCCNC(=O)CC1CCCCC1)C1CCCCC1 C1CCC(CC1)C[*:1] CN(C(=O)NCCNC(=O)[*:1])C1CCCCC1
CN(C(=O)NCCNC(=O)CC1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)NCCNC(=O)C[*:1])C1CCCCC1
CN(C(=O)NCCNC(=O)CC1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)NCCNC(=O)CC1CCCCC1)[*:1]
C[C@@H](CC(=O)[O-])Sc1ccc2nnnn2n1 O=C([O-])[*:1] C[C@@H](C[*:1])Sc1ccc2nnnn2n1
C[C@@H](CC(=O)[O-])Sc1ccc2nnnn2n1 O=C([O-])C[*:1] C[C@@H](Sc1ccc2nnnn2n1)[*:1]
Brc1ccc2c(c1)=C(c1cccnc1)NN=C(c1cccs1)[NH+]=2 c1cncc(c1)[*:1] Brc1ccc2=[NH+]C(=NNC(=c2c1)[*:1])c1cccs1
Brc1ccc2c(c1)=C(c1cccnc1)NN=C(c1cccs1)[NH+]=2 c1csc(c1)[*:1] Brc1ccc2=[NH+]C(=NNC(c3cccnc3)=c2c1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 CC(=O)N[*:1] Cc1ccc(c(C)c1NC(=O)N1CCC[C@@H](C1)C[*:1])[N+](=O)[O-]
CC(=O)NC[C@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 CC(=O)NC[*:1] Cc1ccc(c(C)c1NC(=O)N1CCC[C@@H](C1)[*:1])[N+](=O)[O-]
CC(=O)NC[C@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 O=[N+]([O-])[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)Nc1c(C)ccc(c1C)[*:1]
Cc1cc(C)n2nc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2n1 O=[N+]([O-])[*:1] Cc1cc(C)n2nc(C)c(C(=O)Nc3cc(ccc3O)[*:1])c2n1
COc1ccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CC[C@H](C)C4)cc1 NC(=O)[*:1] COc1ccc(cc1)-c1c(c(C)nc2sc3C[C@@H](C)CCc3c12)[*:1]
COc1ccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CC[C@H](C)C4)cc1 COc1ccc(cc1)[*:1] Cc1nc2sc3C[C@@H](C)CCc3c2c(c1C(N)=O)[*:1]
O=C(NCCCSc1ccc(F)cc1)NC[C@H]1CCC[C@@H]1O Fc1ccc(cc1)[*:1] O=C(NCCCS[*:1])NC[C@H]1CCC[C@@H]1O
CCC[NH+]1CCC(CNC(=O)NCC(C)(C)SC)CC1 CSC(C)(C)[*:1] CCC[NH+]1CCC(CC1)CNC(=O)NC[*:1]
CCC[NH+]1CCC(CNC(=O)NCC(C)(C)SC)CC1 CCC[*:1] CSC(C)(C)CNC(=O)NCC1CC[NH+](CC1)[*:1]
CCC[NH+]1CCC(CNC(=O)NCC(C)(C)SC)CC1 CSC(C)(C)C[*:1] CCC[NH+]1CCC(CC1)CNC(=O)N[*:1]
CCNC(=O)CSc1nc(C)nc(C)c1C(C)=O CCNC(=O)[*:1] CC(=O)c1c(C)nc(C)nc1SC[*:1]
CCNC(=O)CSc1nc(C)nc(C)c1C(C)=O CC(=O)[*:1] CCNC(=O)CSc1nc(C)nc(C)c1[*:1]
CCNC(=O)CSc1nc(C)nc(C)c1C(C)=O CCNC(=O)C[*:1] CC(=O)c1c(C)nc(C)nc1S[*:1]
Cn1ccnc1[C@H](NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)c1ccc(cc1)-n1cnc2ccccc2c1=O)[*:1]
Cn1ccnc1[C@H](NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)c1ccc(F)cc1 Cn1ccnc1[*:1] O=C(N[C@H](c1ccc(F)cc1)[*:1])c1ccc(cc1)-n1cnc2ccccc2c1=O
Cn1ccnc1[C@H](NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)c1ccc(F)cc1 O=c1c2ccccc2ncn1[*:1] Cn1ccnc1[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(F)cc1
C[C@H](N)c1cc[nH+]c(N2CCSC[C@H]2C)c1 C[C@H](N)[*:1] C[C@@H]1CSCCN1c1cc(cc[nH+]1)[*:1]
CN(Cc1ccc(Br)o1)C(=O)c1nc(C(C)(C)C)n[nH]1 Brc1ccc(o1)[*:1] CN(C[*:1])C(=O)c1nc(n[nH]1)C(C)(C)C
CN(Cc1ccc(Br)o1)C(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)(C)[*:1] CN(Cc1ccc(Br)o1)C(=O)c1nc(n[nH]1)[*:1]
O=C(CNS(=O)(=O)c1ccccc1)N1CCC[C@@H](c2nnc(-c3ccccc3)o2)C1 c1ccc(cc1)[*:1] O=C(CNS(=O)(=O)c1ccccc1)N1CCC[C@H](C1)c1nnc(o1)[*:1]
O=C(CNS(=O)(=O)c1ccccc1)N1CCC[C@@H](c2nnc(-c3ccccc3)o2)C1 O=S(=O)(N[*:1])c1ccccc1 O=C(C[*:1])N1CCC[C@H](C1)c1nnc(o1)-c1ccccc1
O=C(CNS(=O)(=O)c1ccccc1)N1CCC[C@@H](c2nnc(-c3ccccc3)o2)C1 c1ccc(cc1)[*:1] O=C(CNS(=O)(=O)[*:1])N1CCC[C@H](C1)c1nnc(o1)-c1ccccc1
COc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 O=C(N1CCCCC1)[*:1] COc1cccc(c1)NCC(=O)Nc1cccc(c1)[*:1]
COc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 COc1cccc(c1)[*:1] O=C(CN[*:1])Nc1cccc(c1)C(=O)N1CCCCC1
COc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 COc1cccc(c1)N[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)N1CCCCC1
O=C(CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CNC(=O)c1nc(-c2ccccc2)n(n1)-c1ccccc1)N[*:1]
O=C(CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)Nc1ccc(F)c(F)c1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1nc(n(n1)-c1ccccc1)[*:1])Nc1ccc(F)c(F)c1
O=C(CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)Nc1ccc(F)c(F)c1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1nc(-c2ccccc2)n(n1)[*:1])Nc1ccc(F)c(F)c1
Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc4nsnc34)C[C@H]2C)c1 Cc1cccc(c1)[*:1] C[C@@H]1CN(CCN1[*:1])C(=O)CCNS(=O)(=O)c1cccc2nsnc12
Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc4nsnc34)C[C@H]2C)c1 c1cc(c2nsnc2c1)[*:1] Cc1cccc(c1)N1CCN(C[C@H]1C)C(=O)CCNS(=O)(=O)[*:1]
CCc1ccc(CN(C)C(=O)CCNC(=O)c2ccsc2)cc1 c1cc(cs1)[*:1] CCc1ccc(cc1)CN(C)C(=O)CCNC(=O)[*:1]
CC1([C@](C)(O)CCc2ccccc2)CC1 CC1(CC1)[*:1] C[C@](O)(CCc1ccccc1)[*:1]
COc1cc(C(=O)N[C@@H]2CCCNC2=O)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C(=O)N[C@@H]1CCCNC1=O
COc1cc(C(=O)N[C@@H]2CCCNC2=O)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C(=O)N[C@@H]1CCCNC1=O
Cc1csc(CN2C(=O)[C@H]3CCCN3C(=O)[C@@H]2C(C)C)n1 CC(C)[*:1] Cc1csc(CN2C(=O)[C@H]3CCCN3C(=O)[C@H]2[*:1])n1
Cc1csc(CN2C(=O)[C@H]3CCCN3C(=O)[C@@H]2C(C)C)n1 Cc1csc(n1)[*:1] CC(C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1C[*:1]
Cc1csc(CN2C(=O)[C@H]3CCCN3C(=O)[C@@H]2C(C)C)n1 Cc1csc(C[*:1])n1 CC(C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1[*:1]
COc1cc(Nc2cncc(-n3nc(C)cc3C)n2)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])Nc1cncc(n1)-n1nc(C)cc1C
COc1cc(Nc2cncc(-n3nc(C)cc3C)n2)ccc1NC(C)=O Cc1cc(C)n(n1)[*:1] COc1cc(ccc1NC(C)=O)Nc1cncc(n1)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)[C@H](C)NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 CCOc1ccc(cc1)[C@H]1CCCN1C(=O)[C@H](C)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)[C@H](C)NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CCOc1ccc(cc1)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)[C@H](C)NC(=O)c2ccco2)cc1 CCO[*:1] C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(N2CCCCC2)CCOCC1 C1CCN(CC1)[*:1] C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(CCOCC1)[*:1]
C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(N2CCCCC2)CCOCC1 C=CC[*:1] C[C@@H]([NH2+]CC1(CCOCC1)N1CCCCC1)[C@H](C)[*:1]
CN(Cc1ccccn1)C(=O)Nc1cccnc1-n1cncn1 c1ncn(n1)[*:1] CN(Cc1ccccn1)C(=O)Nc1cccnc1[*:1]
CN(Cc1ccccn1)C(=O)Nc1cccnc1-n1cncn1 c1ccc(nc1)[*:1] CN(C[*:1])C(=O)Nc1cccnc1-n1cncn1
CN(Cc1ccccn1)C(=O)Nc1cccnc1-n1cncn1 c1ccc(C[*:1])nc1 CN(C(=O)Nc1cccnc1-n1cncn1)[*:1]
Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)s1 O=C(N1CCCC1)[*:1] Cc1ccc(s1)C(=O)NC1CC[NH+](CC1)C[*:1]
Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)s1 Cc1ccc(s1)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)[*:1])N1CCCC1
C=CCNC(=O)CSCc1ccc(Cl)c2cccnc12 C=CC[*:1] O=C(CSCc1ccc(Cl)c2cccnc12)N[*:1]
C=CCNC(=O)CSCc1ccc(Cl)c2cccnc12 C=CCNC(=O)[*:1] Clc1ccc(CSC[*:1])c2ncccc12
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NCC1CCCCC1 C1CCC(CC1)C[*:1] Cc1onc(c1C(=O)OCC(=O)N[*:1])-c1c(F)cccc1Cl
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NCC1CCCCC1 Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)OCC(=O)NCC1CCCCC1)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NCC1CCCCC1 C1CCC(CC1)[*:1] Cc1onc(c1C(=O)OCC(=O)NC[*:1])-c1c(F)cccc1Cl
COC(=O)[C@H](c1ccccc1)N1CC[NH+](C2CCCC2)CC1 COC(=O)[*:1] c1ccc(cc1)[C@H](N1CC[NH+](CC1)C1CCCC1)[*:1]
COC(=O)[C@H](c1ccccc1)N1CC[NH+](C2CCCC2)CC1 c1ccc(cc1)[*:1] COC(=O)[C@H](N1CC[NH+](CC1)C1CCCC1)[*:1]
COC(=O)[C@H](c1ccccc1)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] COC(=O)[C@H](c1ccccc1)N1CC[NH+](CC1)[*:1]
Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCCC3)[C@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1CCC(=O)N([C@@H]1c1cccs1)[*:1])N1CCCCC1
Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCCC3)[C@H]2c2cccs2)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)N1C(=O)CC[C@@H]([C@H]1c1cccs1)[*:1]
Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCCC3)[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)CC[C@@H](C(=O)N2CCCCC2)[C@@H]1[*:1]
Cc1cc(F)c([C@H](C)[NH2+]C[C@@H]2COCCO2)cc1F C1CO[C@@H](CO1)[*:1] Cc1cc(F)c(cc1F)[C@H](C)[NH2+]C[*:1]
Cn1nnnc1-c1cccc(C(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] Cn1nnnc1-c1cccc(c1)C(=O)N[*:1]
Cn1nnnc1-c1cccc(C(=O)NC2CCCCC2)c1 Cn1nnnc1[*:1] O=C(NC1CCCCC1)c1cccc(c1)[*:1]
C[C@@H](O)C[C@H](C(=O)[O-])c1ccc(Br)cc1 C[C@@H](O)[*:1] O=C([O-])[C@@H](C[*:1])c1ccc(Br)cc1
C[C@@H](O)C[C@H](C(=O)[O-])c1ccc(Br)cc1 C[C@@H](O)C[*:1] O=C([O-])[C@H](c1ccc(Br)cc1)[*:1]
C[C@@H](O)C[C@H](C(=O)[O-])c1ccc(Br)cc1 O=C([O-])[*:1] C[C@@H](O)C[C@H](c1ccc(Br)cc1)[*:1]
COC(=O)c1ccc2c(c1)CCN2C(=O)c1oc2c(c1C)C(=O)CCC2 COC(=O)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N1CCc2cc(ccc21)[*:1]
Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 Cc1ccc(cc1)[*:1] O=C(CSCC(=O)N[*:1])Nc1ccc(F)c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)NC(=O)CSCC(=O)Nc1ccc(F)c(c1)[*:1]
COc1cc(F)cc(CNC(=O)Nc2cccc(-n3nnnc3C)c2)c1 Cc1nnnn1[*:1] COc1cc(F)cc(c1)CNC(=O)Nc1cccc(c1)[*:1]
CCCCn1nnnc1CSc1cc(OC)ccc1N CCC[*:1] COc1ccc(N)c(c1)SCc1nnnn1C[*:1]
CCCCn1nnnc1CSc1cc(OC)ccc1N CCCC[*:1] COc1ccc(N)c(c1)SCc1nnnn1[*:1]
CCCNC(=O)CSc1cc(N2CCCC2)ncn1 C1CCN(C1)[*:1] CCCNC(=O)CSc1cc(ncn1)[*:1]
CCCNC(=O)CSc1cc(N2CCCC2)ncn1 CCC[*:1] O=C(CSc1cc(ncn1)N1CCCC1)N[*:1]
CCCNC(=O)CSc1cc(N2CCCC2)ncn1 CCCNC(=O)[*:1] c1nc(cc(n1)N1CCCC1)SC[*:1]
Cc1cc(Br)cnc1N[C@@H](C)C1CCCC1 C1CCC(C1)[*:1] Cc1cc(Br)cnc1N[C@@H](C)[*:1]
C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccsc1 c1cc(cs1)[*:1] C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)[*:1]
COc1cccn(CC(=O)N(C)CCOc2cc(C)cc(C)c2)c1=O Cc1cc(C)cc(c1)[*:1] COc1cccn(CC(=O)N(C)CCO[*:1])c1=O
CCCn1c(SCC(=O)Nc2ccccc2Br)nc2c1c(=O)n(C)c(=O)n2C Brc1ccccc1[*:1] CCCn1c(nc2c1c(=O)n(C)c(=O)n2C)SCC(=O)N[*:1]
CCCn1c(SCC(=O)Nc2ccccc2Br)nc2c1c(=O)n(C)c(=O)n2C CCC[*:1] Cn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3Br)n2[*:1])n(C)c1=O
Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 C1CN(CCO1)C[*:1] Cc1ccc(C)c(c1)-n1nnnc1SCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nnnn1[*:1])Nc1ccc(cc1)CN1CCOCC1
Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 C1CN(CCO1)[*:1] Cc1ccc(C)c(c1)-n1nnnc1SCC(=O)Nc1ccc(cc1)C[*:1]
CC(C)(C)c1ccc(S(=O)(=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 CC(C)(C)[*:1] N#Cc1c(NC(=O)CS(=O)(=O)c2ccc(cc2)[*:1])sc2CCCCc21
CN1C[C@@H](c2nc3ccccc3n2CCCOc2cccc3ccccc23)CC1=O c1ccc2c(cccc2c1)[*:1] CN1C[C@H](CC1=O)c1nc2ccccc2n1CCCO[*:1]
C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Clc1ccccc1[*:1] C[C@H](O[*:1])C(=O)N1CCC(CC1)OCc1ccc(F)cc1
C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Clc1ccccc1O[*:1] C[C@H](C(=O)N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(CC1)O[*:1]
C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(CC1)OC[*:1]
C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(CC1)[*:1]
C[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)c1ccc(Cl)s1 CC(C)(C)[*:1] C[C@H](NC(=O)NC[C@H]1CCO[C@H]1[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)[*:1]
Cc1ccnn1CC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] Cc1ccnn1CC(=O)N1CCN(CC1)C[*:1]
Cc1ccnn1CC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 Cc1ccnn1C[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])N1CCCCC1
Cc1ccnn1CC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 Cc1ccnn1[*:1] O=C(CN1CCN(CC1)C(=O)C[*:1])N1CCCCC1
CCC(=O)N1CCC[C@@H](C(=O)Oc2ccc(OCC3CC3)cc2)C1 C1CC1CO[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)Oc1ccc(cc1)[*:1]
CCC(=O)N1CCC[C@@H](C(=O)Oc2ccc(OCC3CC3)cc2)C1 C1CC1C[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)Oc1ccc(cc1)O[*:1]
CCC(=O)N1CCC[C@@H](C(=O)Oc2ccc(OCC3CC3)cc2)C1 C1CC1[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)Oc1ccc(cc1)OC[*:1]
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] Cc1cc2c(CC(C)(C)C[C@H]2NC(=O)N2CCN(CC2)[*:1])o1
CN(C)C(=O)CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 CN(C)C(=O)[*:1] O=C(CCC[*:1])N[C@@H](c1ccc(Cl)cc1)c1cccs1
CN(C)C(=O)CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 CN(C)C(=O)CC[*:1] O=C(C[*:1])N[C@@H](c1ccc(Cl)cc1)c1cccs1
CN(C)C(=O)CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 CN(C)C(=O)CCC[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)[*:1]
CN(C)C(=O)CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 CN(C)C(=O)C[*:1] O=C(CC[*:1])N[C@@H](c1ccc(Cl)cc1)c1cccs1
CN(C)C(=O)CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 Clc1ccc(cc1)[*:1] CN(C)C(=O)CCCC(=O)N[C@@H](c1cccs1)[*:1]
CN(C)C(=O)CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 c1csc(c1)[*:1] CN(C)C(=O)CCCC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
CC[C@@H](Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1sc2c(c1C#N)CCCC2 Cc1cc(=O)[nH]c(n1)[*:1] CC[C@@H](S[*:1])C(=O)Nc1sc2CCCCc2c1C#N
CCC[C@H](C)NC(=O)[C@@H](C)Nc1cccc(C)c1 CCC[C@H](C)[*:1] Cc1cccc(c1)N[C@H](C)C(=O)N[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)Nc1cccc(C)c1 CCC[*:1] Cc1cccc(c1)N[C@H](C)C(=O)N[C@@H](C)[*:1]
COCC[C@]1(CO)CCCN(Cc2[nH]cc(C)c(=O)c2C)C1 COC[*:1] Cc1c[nH]c(CN2CCC[C@](CO)(C2)C[*:1])c(C)c1=O
COCC[C@]1(CO)CCCN(Cc2[nH]cc(C)c(=O)c2C)C1 COCC[*:1] Cc1c[nH]c(CN2CCC[C@@](CO)(C2)[*:1])c(C)c1=O
CC[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CCSc1n[nH]c(=O)n1C O=C([O-])[*:1] CC[NH2+][C@@]1(CCC[C@H]1CCSc1n[nH]c(=O)n1C)[*:1]
CC[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CCSc1n[nH]c(=O)n1C Cn1c(n[nH]c1=O)[*:1] CC[NH2+][C@@]1(CCC[C@H]1CCS[*:1])C(=O)[O-]
Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1Cl O=C([O-])[*:1] Cc1ccc(cc1Cl)S(=O)(=O)[N-]c1cccc(F)c1[*:1]
NC(=O)[C@H]1CCN(C(=O)c2cccc(Cl)c2)c2ccccc21 Clc1cccc(c1)[*:1] NC(=O)[C@H]1CCN(C(=O)[*:1])c2ccccc21
NC(=O)[C@H]1CCN(C(=O)c2cccc(Cl)c2)c2ccccc21 NC(=O)[*:1] O=C(c1cccc(Cl)c1)N1CC[C@@H](c2ccccc21)[*:1]
Cc1cc(=O)[nH]c(/N=C(/N)Nc2ccc(SC(F)F)cc2)n1 FC(F)[*:1] Cc1cc(=O)[nH]c(/N=C(/N)Nc2ccc(cc2)S[*:1])n1
Cc1cc(=O)[nH]c(/N=C(/N)Nc2ccc(SC(F)F)cc2)n1 FC(F)S[*:1] Cc1cc(=O)[nH]c(/N=C(/N)Nc2ccc(cc2)[*:1])n1
Cc1noc(C)c1CCC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 Cc1noc(C)c1[*:1] O=C(CC[*:1])Nc1ccc(cc1)-c1cn2ccccc2n1
Cc1noc(C)c1CCC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 Cc1noc(C)c1C[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1cn2ccccc2n1
Cc1noc(C)c1CCC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 Cc1noc(C)c1CC[*:1] O=C(Nc1ccc(cc1)-c1cn2ccccc2n1)[*:1]
Cc1noc(C)c1CCC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 c1ccn2cc(nc2c1)[*:1] Cc1noc(C)c1CCC(=O)Nc1ccc(cc1)[*:1]
Cc1nnc(-c2ccc(C(=O)N(C)[C@H](C)Cc3ccc(Cl)cc3)cc2)o1 Clc1ccc(cc1)C[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)N(C)[C@H](C)[*:1]
Cc1nnc(-c2ccc(C(=O)N(C)[C@H](C)Cc3ccc(Cl)cc3)cc2)o1 Clc1ccc(cc1)[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)N(C)[C@H](C)C[*:1]
Cc1nnc(-c2ccc(C(=O)N(C)[C@H](C)Cc3ccc(Cl)cc3)cc2)o1 Cc1nnc(o1)[*:1] C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(cc1)[*:1]
CC(C)CNC(=O)[C@@H]1CCCN(C(=O)CCC2=c3ccccc3=[NH+]C2)C1 CC(C)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)CCC1C[NH+]=c2ccccc2=1
CC(C)CNC(=O)[C@@H]1CCCN(C(=O)CCC2=c3ccccc3=[NH+]C2)C1 CC(C)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)CCC1C[NH+]=c2ccccc2=1
CC(C)CNC(=O)[C@@H]1CCCN(C(=O)CCC2=c3ccccc3=[NH+]C2)C1 CC(C)CNC(=O)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N1CCC[C@H](C1)[*:1]
Cc1cc(C)n(Cc2cccc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)c2)n1 Cc1cc(C)n(n1)[*:1] O=S(=O)(NCc1cccc(c1)C[*:1])c1ccc2CCCCc2c1
Cc1cc(C)n(Cc2cccc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)c2)n1 Cc1cc(C)n(C[*:1])n1 O=S(=O)(NCc1cccc(c1)[*:1])c1ccc2CCCCc2c1
CSCCOC(=O)C1(c2ccc(F)cc2)CC1 CSC[*:1] O=C(OC[*:1])C1(CC1)c1ccc(F)cc1
CSCCOC(=O)C1(c2ccc(F)cc2)CC1 CSCC[*:1] O=C(O[*:1])C1(CC1)c1ccc(F)cc1
NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC(C)CC3)n2)cc1OC CC1CCN(CC1)C(=O)[*:1] COc1ccc(cc1OC)-c1ccc(=O)n(C[*:1])n1
CCCN1CC[NH+]([C@@H]2CCC[C@@](NC)(C(N)=O)C2)CC1 CCC[*:1] CN[C@]1(CCC[C@H](C1)[NH+]1CCN(CC1)[*:1])C(N)=O
CCCN1CC[NH+]([C@@H]2CCC[C@@](NC)(C(N)=O)C2)CC1 NC(=O)[*:1] CCCN1CC[NH+](CC1)[C@@H]1CCC[C@](C1)(NC)[*:1]
CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC(=O)NC3CC3)c2C1 O=C(NC1CC1)[*:1] CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[*:1])c2C1
CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC(=O)NC3CC3)c2C1 CCC[*:1] O=C(CNC(=O)C(=O)Nc1cccc2C[NH+](Cc21)[*:1])NC1CC1
CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC(=O)NC3CC3)c2C1 O=C(C[*:1])NC1CC1 CCC[NH+]1Cc2cccc(NC(=O)C(=O)N[*:1])c2C1
CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC(=O)NC3CC3)c2C1 C1CC1[*:1] CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC(=O)N[*:1])c2C1
NC(=O)c1csc(NC(=O)c2ccco2)n1 NC(=O)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccco1
NC(=O)c1csc(NC(=O)c2ccco2)n1 c1coc(c1)[*:1] NC(=O)c1csc(n1)NC(=O)[*:1]
CSCc1ccc(NC(=O)N2CCN(c3nccs3)CC2)cc1 c1csc(n1)[*:1] CSCc1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
CSCc1ccc(NC(=O)N2CCN(c3nccs3)CC2)cc1 CSC[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(CC1)c1nccs1
CCC(CC)NC(=O)CC1CCN(c2ccnc(OC)n2)CC1 CCC(CC)[*:1] COc1nccc(n1)N1CCC(CC1)CC(=O)N[*:1]
CN(C(=O)c1cccc(C(F)(F)F)c1F)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1cccc(c1F)C(F)(F)F)[*:1]
CN(C(=O)c1cccc(C(F)(F)F)c1F)C1CCCCC1 FC(F)(F)[*:1] CN(C(=O)c1cccc(c1F)[*:1])C1CCCCC1
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)c1cn(C)nc1C Cc1nn(C)cc1[*:1] CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)[*:1]
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)c1cn(C)nc1C Cc1nn(C)cc1[C@H](C)[*:1] CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)c1cn(C)nc1C CC[C@H](C)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
Cc1ccc(C)n1-c1c(C(=O)O[C@H]2CCS(=O)(=O)c3ccccc32)cnn1C Cc1ccc(C)n1[*:1] Cn1ncc(C(=O)O[C@H]2CCS(=O)(=O)c3ccccc32)c1[*:1]
COCCN(C)S(=O)(=O)c1cc(Cl)ccc1Cl COCC[*:1] CN(S(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
COCCN(C)S(=O)(=O)c1cc(Cl)ccc1Cl COC[*:1] CN(C[*:1])S(=O)(=O)c1cc(Cl)ccc1Cl
CC1CCN(c2cc(SCc3ccc(F)c(F)c3)ncn2)CC1 CC1CCN(CC1)[*:1] Fc1ccc(cc1F)CSc1cc(ncn1)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)C[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)C[C@@H]2CCCO2)c1 CCC(=O)N[*:1] Cc1ccc(cc1NC(=O)C[C@@H]1CCCO1)[*:1]
C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(cc1)[*:1]
Cc1cccc(NC(=O)[C@@H](C)[S@](=O)Cc2ncc(Cl)n2C)c1C Cn1c(Cl)cnc1[*:1] Cc1cccc(NC(=O)[C@@H](C)[S@](=O)C[*:1])c1C
CC(C)N(Cc1ccccc1)C(=O)c1ccc2nsnc2c1 CC(C)[*:1] O=C(c1ccc2nsnc2c1)N(Cc1ccccc1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)c1ccc2nsnc2c1 c1ccc(cc1)C[*:1] CC(C)N(C(=O)c1ccc2nsnc2c1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)c1ccc2nsnc2c1 c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)c1ccc2nsnc2c1
Cc1cc(N)n(CC(=O)N[C@@H](c2ccncc2)c2ccc(Cl)cc2)n1 Cc1cc(N)n(n1)[*:1] O=C(C[*:1])N[C@@H](c1ccncc1)c1ccc(Cl)cc1
Cc1cc(N)n(CC(=O)N[C@@H](c2ccncc2)c2ccc(Cl)cc2)n1 Cc1cc(N)n(C[*:1])n1 O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)[*:1]
Cc1cc(N)n(CC(=O)N[C@@H](c2ccncc2)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1cc(N)n(CC(=O)N[C@@H](c2ccncc2)[*:1])n1
Cc1cc(N)n(CC(=O)N[C@@H](c2ccncc2)c2ccc(Cl)cc2)n1 c1cc(ccn1)[*:1] Cc1cc(N)n(CC(=O)N[C@@H](c2ccc(Cl)cc2)[*:1])n1
C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)CCOCC(F)(F)F)C(=O)N1CCOCC1 FC(F)(F)COC[*:1] C[C@@H](NC(=O)C[*:1])C(=O)N1CCOCC1
C[C@@H](NC(=O)CCOCC(F)(F)F)C(=O)N1CCOCC1 FC(F)(F)[*:1] C[C@@H](NC(=O)CCOC[*:1])C(=O)N1CCOCC1
C[C@@H](NC(=O)CCOCC(F)(F)F)C(=O)N1CCOCC1 FC(F)(F)CO[*:1] C[C@@H](NC(=O)CC[*:1])C(=O)N1CCOCC1
C[C@@H](NC(=O)CCOCC(F)(F)F)C(=O)N1CCOCC1 FC(F)(F)C[*:1] C[C@@H](NC(=O)CCO[*:1])C(=O)N1CCOCC1
NC(=O)c1ccsc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 NC(=O)[*:1] O=C([O-])c1ccc(cc1)S(=O)(=O)Nc1sccc1[*:1]
NC(=O)c1ccsc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] NC(=O)c1ccsc1NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1C Cc1occc1[*:1] C[C@@H](Sc1nnc(n1C)[*:1])C(=O)Nc1ccc(Cl)cc1
Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1C Clc1ccc(cc1)[*:1] Cc1occc1-c1nnc(S[C@H](C)C(=O)N[*:1])n1C
NS(=O)(=O)c1ccc(N2CCc3cc(F)ccc3C2)c([N+](=O)[O-])c1 NS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1N1CCc2cc(F)ccc2C1)[*:1]
NS(=O)(=O)c1ccc(N2CCc3cc(F)ccc3C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NS(=O)(=O)c1ccc(c(c1)[*:1])N1CCc2cc(F)ccc2C1
Cc1ccc(CNc2cnn(CC(F)(F)F)c2)s1 Cc1ccc(s1)[*:1] FC(F)(F)Cn1cc(cn1)NC[*:1]
Cc1ccc(CNc2cnn(CC(F)(F)F)c2)s1 FC(F)(F)C[*:1] Cc1ccc(CNc2cnn(c2)[*:1])s1
Cc1ccc(CNc2cnn(CC(F)(F)F)c2)s1 FC(F)(F)[*:1] Cc1ccc(CNc2cnn(c2)C[*:1])s1
Cc1ccc(NCc2cccc([N+](=O)[O-])c2C)cc1C(=O)N(C)C O=[N+]([O-])[*:1] Cc1ccc(cc1C(=O)N(C)C)NCc1cccc(c1C)[*:1]
Cc1ccc(NCc2cccc([N+](=O)[O-])c2C)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NCc1cccc(c1C)[N+](=O)[O-]
C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)n1cnc2c1c(=O)n(C)c(=O)n2C c1ccc2c(c[nH]c2c1)[*:1] C[C@@H](C(=O)NCC[*:1])n1cnc2c1c(=O)n(C)c(=O)n2C
Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)oc2C)cc1C Cc1ccc(cc1C)[*:1] Cc1oc(cc1C(=O)N[*:1])-c1ccc(F)cc1
Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)oc2C)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)c1cc(oc1C)[*:1]
CCN(CC1CC1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 C1CC1C[*:1] CCN(C(=O)C1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
CCN(CC1CC1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 C1CC1[*:1] CCN(C[*:1])C(=O)C1CCN(CC1)C(=O)OC(C)(C)C
CCN(CC1CC1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CCN(CC1CC1)C(=O)C1CCN(CC1)C(=O)O[*:1]
O=C(/C=C/SCc1ccco1)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(/C=C/SCc1ccco1)N[C@H](CO)[*:1]
O=C(/C=C/SCc1ccco1)N[C@H](CO)c1ccco1 c1coc(c1)C[*:1] O=C(/C=C/S[*:1])N[C@H](CO)c1ccco1
O=C(/C=C/SCc1ccco1)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(/C=C/SC[*:1])N[C@H](CO)c1ccco1
CC(C)(C)OC(=O)N[C@H](CNc1cnccc1C#N)C1CC1 C1CC1[*:1] CC(C)(C)OC(=O)N[C@H](CNc1cnccc1C#N)[*:1]
CC(C)(C)OC(=O)N[C@H](CNc1cnccc1C#N)C1CC1 CC(C)(C)[*:1] N#Cc1ccncc1NC[C@@H](NC(=O)O[*:1])C1CC1
C[C@@H](CO)[C@@H](C)NC(=O)NCc1cccc(N(C)C)c1 CN(C)[*:1] C[C@@H](CO)[C@@H](C)NC(=O)NCc1cccc(c1)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)NCc1cccc(N(C)C)c1 C[C@@H](CO)[*:1] C[C@@H](NC(=O)NCc1cccc(c1)N(C)C)[*:1]
C[NH+]1CCN(CCC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2cc(F)ccc2F)CC1 Fc1ccc(F)c(c1)[*:1] C[NH+]1CCN(CCC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2[*:1])CC1
Cc1ccc(N2/C(=N/C3=NC4=c5ccccc5=NC4=[NH+]3)N[C@@]23C(=O)Nc2ccccc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1Nc2ccccc2[C@]12N/C(=N\C1=NC3C(N=c4ccccc4=3)=[NH+]1)N2[*:1]
c1ccc(C[C@H]2c3[nH+]c[nH]c3CCN2Cc2cccn2-c2ncccn2)cc1 c1ccc(cc1)C[*:1] c1cnc(nc1)-n1cccc1CN1CCc2[nH]c[nH+]c2[C@@H]1[*:1]
c1ccc(C[C@H]2c3[nH+]c[nH]c3CCN2Cc2cccn2-c2ncccn2)cc1 c1ccc(cc1)[*:1] c1cnc(nc1)-n1cccc1CN1CCc2[nH]c[nH+]c2[C@@H]1C[*:1]
c1ccc(C[C@H]2c3[nH+]c[nH]c3CCN2Cc2cccn2-c2ncccn2)cc1 c1cnc(nc1)[*:1] c1ccc(cc1)C[C@H]1c2[nH+]c[nH]c2CCN1Cc1cccn1[*:1]
COc1ccc(N)c(SC[C@@H]2CC[C@H](C(=O)NN)O2)c1 NNC(=O)[*:1] COc1ccc(N)c(c1)SC[C@@H]1CC[C@H](O1)[*:1]
C[C@H](CC(=O)N1CCOCC1)N[C@H](Cc1ccccc1)C(F)(F)F O=C(N1CCOCC1)[*:1] C[C@H](C[*:1])N[C@H](Cc1ccccc1)C(F)(F)F
C[C@H](CC(=O)N1CCOCC1)N[C@H](Cc1ccccc1)C(F)(F)F c1ccc(cc1)C[*:1] C[C@H](CC(=O)N1CCOCC1)N[C@H](C(F)(F)F)[*:1]
C[C@H](CC(=O)N1CCOCC1)N[C@H](Cc1ccccc1)C(F)(F)F FC(F)(F)[*:1] C[C@H](CC(=O)N1CCOCC1)N[C@H](Cc1ccccc1)[*:1]
C[C@H](CC(=O)N1CCOCC1)N[C@H](Cc1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] C[C@H](CC(=O)N1CCOCC1)N[C@H](C[*:1])C(F)(F)F
CNC(=O)CNC(=O)NC[C@H](CC(C)C)C(=O)[O-] O=C([O-])[*:1] CNC(=O)CNC(=O)NC[C@H](CC(C)C)[*:1]
CNC(=O)CNC(=O)NC[C@H](CC(C)C)C(=O)[O-] CNC(=O)[*:1] CC(C)C[C@@H](CNC(=O)NC[*:1])C(=O)[O-]
CNC(=O)CNC(=O)NC[C@H](CC(C)C)C(=O)[O-] CNC(=O)C[*:1] CC(C)C[C@@H](CNC(=O)N[*:1])C(=O)[O-]
CNC(=O)CNC(=O)NC[C@H](CC(C)C)C(=O)[O-] CC(C)[*:1] CNC(=O)CNC(=O)NC[C@H](C[*:1])C(=O)[O-]
CNC(=O)CNC(=O)NC[C@H](CC(C)C)C(=O)[O-] CC(C)C[*:1] CNC(=O)CNC(=O)NC[C@H](C(=O)[O-])[*:1]
CCOC(=O)c1cnn(-c2ccc(OC(F)(F)Cl)cc2)c1N CCOC(=O)[*:1] Nc1c(cnn1-c1ccc(cc1)OC(F)(F)Cl)[*:1]
CCOC(=O)c1cnn(-c2ccc(OC(F)(F)Cl)cc2)c1N FC(F)(Cl)[*:1] CCOC(=O)c1cnn(-c2ccc(cc2)O[*:1])c1N
CCOC(=O)c1cnn(-c2ccc(OC(F)(F)Cl)cc2)c1N FC(F)(Cl)O[*:1] CCOC(=O)c1cnn(-c2ccc(cc2)[*:1])c1N
CNC(=O)Cn1ccc2ccc(NC(=O)COc3cccc(C=O)c3)cc21 O=Cc1cccc(c1)[*:1] CNC(=O)Cn1ccc2ccc(cc21)NC(=O)CO[*:1]
CNC(=O)Cn1ccc2ccc(NC(=O)COc3cccc(C=O)c3)cc21 CNC(=O)[*:1] O=Cc1cccc(c1)OCC(=O)Nc1ccc2ccn(C[*:1])c2c1
CNC(=O)Cn1ccc2ccc(NC(=O)COc3cccc(C=O)c3)cc21 O=Cc1cccc(c1)O[*:1] CNC(=O)Cn1ccc2ccc(cc21)NC(=O)C[*:1]
CNC(=O)Cn1ccc2ccc(NC(=O)COc3cccc(C=O)c3)cc21 CNC(=O)C[*:1] O=Cc1cccc(c1)OCC(=O)Nc1ccc2ccn(c2c1)[*:1]
Cc1ccc(N2CC(=O)C(C3[NH+]=c4ccccc4=[NH+]3)=C2N)c(C)c1 Cc1ccc(c(C)c1)[*:1] NC1=C(C(=O)CN1[*:1])C1[NH+]=c2ccccc2=[NH+]1
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccccc1[N+](=O)[O-] FC(F)(F)[*:1] O=C(N[C@H](c1cccc(c1)[*:1])C1CC1)c1ccccc1[N+](=O)[O-]
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)c1ccccc1[*:1]
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccccc1[N+](=O)[O-] C1CC1[*:1] O=C(N[C@H](c1cccc(c1)C(F)(F)F)[*:1])c1ccccc1[N+](=O)[O-]
C[C@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)[*:1]
Cc1ccc([C@H](O)CNS(=O)(=O)c2cc(C)c(Cl)cc2Cl)o1 Cc1ccc(o1)[*:1] Cc1cc(c(Cl)cc1Cl)S(=O)(=O)NC[C@@H](O)[*:1]
CC(C)[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)COCC[NH3+] [NH3+]CCOC[*:1] CC(C)[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)[*:1]
CC(C)[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)COCC[NH3+] CC(C)[*:1] [NH3+]CCOCC(=O)N1[C@@H](SC[C@H]1C(=O)[O-])[*:1]
CC(C)[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)COCC[NH3+] [NH3+]CC[*:1] CC(C)[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)CO[*:1]
CC(C)[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)COCC[NH3+] O=C([O-])[*:1] CC(C)[C@@H]1SC[C@@H](N1C(=O)COCC[NH3+])[*:1]
CC(C)[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)COCC[NH3+] [NH3+]CCO[*:1] CC(C)[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)C[*:1]
O=C(c1cc(Br)ccc1F)C1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(c1cc(Br)ccc1F)C1(CCC1)[*:1]
COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1cccn1C Cn1cccc1[*:1] COc1ccccc1CNC(=O)[C@@H](C)OC(=O)[*:1]
CCN(C(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@H](C)N[C@@H](C)c1ccc2OCCOc2c1)[*:1]
Cc1ccc(CC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 Fc1cc(ccc1Cl)[*:1] Cc1ccc(cc1)CC(=O)N[C@H]1CCO[C@@H]1[*:1]
Cc1ccc(CC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[*:1]
Cc1ccc(CC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
O=C(OCCC1CC[NH2+]CC1)C1CCCC1 C1CCC(C1)[*:1] O=C(OCCC1CC[NH2+]CC1)[*:1]
Cc1nc(C[C@@H](C(=O)[O-])[C@@H]2CCS(=O)(=O)C2)sc1C O=C([O-])[*:1] Cc1nc(C[C@@H]([C@@H]2CCS(=O)(=O)C2)[*:1])sc1C
CC(C)c1cc(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)on1 CC(C)[*:1] O=C(NC1CCC(CC1)C(=O)N1CCSCC1)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)on1 O=C(N1CCSCC1)[*:1] CC(C)c1cc(on1)C(=O)NC1CCC(CC1)[*:1]
CC(C)c1cc(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)on1 CC(C)c1cc(on1)[*:1] O=C(C1CCC(CC1)NC(=O)[*:1])N1CCSCC1
Cc1ccc(CC(=O)Nc2ccccc2Sc2nc(Br)nn2C)cc1 Cc1ccc(cc1)C[*:1] Cn1nc(Br)nc1Sc1ccccc1NC(=O)[*:1]
Cc1ccc(CC(=O)Nc2ccccc2Sc2nc(Br)nn2C)cc1 Cc1ccc(cc1)[*:1] Cn1nc(Br)nc1Sc1ccccc1NC(=O)C[*:1]
C[C@H]1C[C@H](Nc2ccc(SC(F)F)cc2)CS1 FC(F)S[*:1] C[C@H]1C[C@@H](CS1)Nc1ccc(cc1)[*:1]
C[C@H]1C[C@H](Nc2ccc(SC(F)F)cc2)CS1 FC(F)[*:1] C[C@H]1C[C@@H](CS1)Nc1ccc(cc1)S[*:1]
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C/c3ccc(-c4ccc(C)cc4)o3)NC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C[C@@H]1S/C(=N/N=C/c2ccc(o2)[*:1])NC1=O
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C/c3ccc(-c4ccc(C)cc4)o3)NC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)N[*:1])S2)o1
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C/c3ccc(-c4ccc(C)cc4)o3)NC2=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1ccc(cc1)-c1ccc(/C=N/N=C2\NC(=O)[C@H](C[*:1])S2)o1
C[C@H](CCCO)NC(=O)CC1=CCCCC1 OCCC[*:1] C[C@H](NC(=O)CC1=CCCCC1)[*:1]
C[C@H](CCCO)NC(=O)CC1=CCCCC1 OCC[*:1] C[C@H](C[*:1])NC(=O)CC1=CCCCC1
COc1ccc(CNC(=O)c2ccc(C)c(-n3cccc3)c2)cc1OC c1ccn(c1)[*:1] COc1ccc(cc1OC)CNC(=O)c1ccc(C)c(c1)[*:1]
CC(C)[C@@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)c1ccccn1 N#CCO[*:1] CC(C)[C@@H](NC(=O)/C=C/c1ccc(cc1)[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)/C=C/c1ccc(cc1)OCC#N)[*:1]
CC(C)[C@@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)c1ccccn1 CC(C)[*:1] N#CCOc1ccc(/C=C/C(=O)N[C@@H](c2ccccn2)[*:1])cc1
CC(C)[C@@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)c1ccccn1 N#CC[*:1] CC(C)[C@@H](NC(=O)/C=C/c1ccc(cc1)O[*:1])c1ccccn1
O=c1[nH]c(N/N=C/c2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 c1ccc(cc1)[*:1] O=c1[nH]c(nc2-c3ccccc3CC3(CCCC3)c21)NN=C[*:1]
O=c1[nH]c(N/N=C/c2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 C(=N/N[*:1])\c1ccccc1 O=c1[nH]c(nc2-c3ccccc3CC3(CCCC3)c21)[*:1]
COc1cncc(-c2cnn(CC(=O)Nc3nn(C)c4ccccc34)c2)c1 COc1cncc(c1)[*:1] Cn1nc(NC(=O)Cn2cc(cn2)[*:1])c2ccccc21
COc1cc(C(=O)Nc2nnc(C)s2)cc(Cl)c1OCC(C)C CC(C)[*:1] COc1cc(cc(Cl)c1OC[*:1])C(=O)Nc1nnc(C)s1
COc1cc(C(=O)Nc2nnc(C)s2)cc(Cl)c1OCC(C)C Cc1nnc(s1)[*:1] COc1cc(cc(Cl)c1OCC(C)C)C(=O)N[*:1]
COc1cc(C(=O)Nc2nnc(C)s2)cc(Cl)c1OCC(C)C CC(C)CO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)Nc1nnc(C)s1
COc1cc(C(=O)Nc2nnc(C)s2)cc(Cl)c1OCC(C)C CC(C)C[*:1] COc1cc(cc(Cl)c1O[*:1])C(=O)Nc1nnc(C)s1
COC(=O)c1ccc(COc2ccc([C@@H]3C(C#N)=C(N)O[C@@H]4N=NC(C)=C43)cc2OC)o1 COC(=O)c1ccc(o1)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1C(C#N)=C(N)O[C@@H]2N=NC(C)=C21
COC(=O)c1ccc(COc2ccc([C@@H]3C(C#N)=C(N)O[C@@H]4N=NC(C)=C43)cc2OC)o1 COC(=O)[*:1] COc1cc(ccc1OCc1ccc(o1)[*:1])[C@@H]1C(C#N)=C(N)O[C@@H]2N=NC(C)=C21
COC(=O)c1ccc(COc2ccc([C@@H]3C(C#N)=C(N)O[C@@H]4N=NC(C)=C43)cc2OC)o1 COC(=O)c1ccc(C[*:1])o1 COc1cc(ccc1O[*:1])[C@@H]1C(C#N)=C(N)O[C@@H]2N=NC(C)=C21
CCOC(=O)[C@]1(N)CC[C@@H](Sc2ccc(Cl)cn2)C1 CCOC(=O)[*:1] N[C@@]1(CC[C@H](C1)Sc1ccc(Cl)cn1)[*:1]
CC(C)[C@@H]1N=N[C@H](NC(=O)CSC2[NH+]=c3ccccc3=[NH+]2)S1 CC(C)[*:1] O=C(CSC1[NH+]=c2ccccc2=[NH+]1)N[C@H]1N=N[C@H](S1)[*:1]
O=C(Cc1cccc2cccnc12)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] O=C(Cc1cccc2cccnc12)Nc1ccc2nc(oc2c1)[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(OCC(N)=O)c1 NC(=O)C[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(c1)O[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(OCC(N)=O)c1 NC(=O)[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(c1)OC[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(OCC(N)=O)c1 NC(=O)CO[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(n1nc(nc1NCc1ccc(F)cc1)-c1cccnc1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1 c1cncc(c1)[*:1] O=S(=O)(c1ccc(Cl)cc1)n1nc(nc1NCc1ccc(F)cc1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=S(=O)(c1ccc(Cl)cc1)n1nc(nc1N[*:1])-c1cccnc1
O=S(=O)(c1ccc(Cl)cc1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(c1ccc(Cl)cc1)n1nc(nc1NC[*:1])-c1cccnc1
O=S(=O)(c1ccc(Cl)cc1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1 Fc1ccc(cc1)CN[*:1] O=S(=O)(c1ccc(Cl)cc1)n1nc(nc1[*:1])-c1cccnc1
CCn1c(S[C@@H](C)C#N)nc2cc(S(N)(=O)=O)ccc21 C[C@@H](C#N)S[*:1] CCn1c(nc2cc(ccc21)S(N)(=O)=O)[*:1]
CCn1c(S[C@@H](C)C#N)nc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CCn1c(nc2cc(ccc21)[*:1])S[C@@H](C)C#N
CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)CC1 CCOC(=O)[*:1] O=C(c1ccco1)c1cn(CC(=O)N2CCC(CC2)[*:1])c2ccccc12
CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)CC1 O=C(c1ccco1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)Cn1cc(c2ccccc21)[*:1]
CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)CC1 c1coc(c1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)Cn1cc(C(=O)[*:1])c2ccccc21
Cc1cc2c(=O)c3ccccc3oc2c(C(=O)[O-])c1C O=C([O-])[*:1] Cc1cc2c(=O)c3ccccc3oc2c(c1C)[*:1]
CC[C@@H](C)[C@](C)(O)CNC(=O)Cc1ccc(C)c(O)c1 CC[C@@H](C)[*:1] Cc1ccc(cc1O)CC(=O)NC[C@](C)(O)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)CCC(=O)NC3CCCC3)ccc21 C1CCC(C1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)CCC(=O)N[*:1]
CCCN1C(=O)CCc2cc(NC(=O)CCC(=O)NC3CCCC3)ccc21 CCC[*:1] O=C(CCC(=O)NC1CCCC1)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NC(=O)CCC(=O)NC3CCCC3)ccc21 O=C(C[*:1])NC1CCCC1 CCCN1C(=O)CCc2cc(ccc21)NC(=O)C[*:1]
CCCN1C(=O)CCc2cc(NC(=O)CCC(=O)NC3CCCC3)ccc21 O=C(NC1CCCC1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)CC[*:1]
CC(C)[NH2+]C[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 CC(C)[*:1] C[C@@H](C[NH2+][*:1])[NH+]1C[C@H](C)[C@@H](C)C1
CC(C)[NH2+]C[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 CC(C)[NH2+][*:1] C[C@@H](C[*:1])[NH+]1C[C@H](C)[C@@H](C)C1
Cc1nc(CNC2(C(N)=O)CCCCC2)cs1 NC(=O)[*:1] Cc1nc(cs1)CNC1(CCCCC1)[*:1]
CC[C@@H](CC(=O)N1CC[C@H](C)[C@H](O)C1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](CC(=O)N1CC[C@H](C)[C@H](O)C1)[*:1]
C[C@H](NC(=O)N[C@H](C)c1nnc2ccccn12)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H](C)c1nnc2ccccn12)C(C)(C)[*:1]
CCc1ccc(C[C@H](O)Cc2ccccc2)nc1 c1ccc(cc1)[*:1] CCc1ccc(C[C@H](O)C[*:1])nc1
CCn1c(N2CCC(C(=O)[O-])CC2)[nH+]c2cc(C)ccc21 O=C([O-])[*:1] CCn1c([nH+]c2cc(C)ccc21)N1CCC(CC1)[*:1]
O=C([O-])[C@H]1CC(=O)N(Cc2ccc(OCc3ccccc3)cc2)C1 O=C([O-])[*:1] O=C1C[C@@H](CN1Cc1ccc(cc1)OCc1ccccc1)[*:1]
O=C([O-])[C@H]1CC(=O)N(Cc2ccc(OCc3ccccc3)cc2)C1 c1ccc(cc1)C[*:1] O=C([O-])[C@H]1CC(=O)N(Cc2ccc(cc2)O[*:1])C1
O=C([O-])[C@H]1CC(=O)N(Cc2ccc(OCc3ccccc3)cc2)C1 c1ccc(cc1)CO[*:1] O=C([O-])[C@H]1CC(=O)N(Cc2ccc(cc2)[*:1])C1
O=C([O-])[C@H]1CC(=O)N(Cc2ccc(OCc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] O=C([O-])[C@H]1CC(=O)N(Cc2ccc(cc2)OC[*:1])C1
CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)/C(=N/c2cccc(C(F)(F)F)c2)S1 CNC(=O)[*:1] COc1ccc(cc1)CN1C(=O)C[C@H](S/C1=N\c1cccc(c1)C(F)(F)F)[*:1]
CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)/C(=N/c2cccc(C(F)(F)F)c2)S1 COc1ccc(cc1)C[*:1] CNC(=O)[C@@H]1CC(=O)N(/C(=N/c2cccc(c2)C(F)(F)F)S1)[*:1]
CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)/C(=N/c2cccc(C(F)(F)F)c2)S1 FC(F)(F)[*:1] CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(cc2)OC)/C(=N/c2cccc(c2)[*:1])S1
CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)/C(=N/c2cccc(C(F)(F)F)c2)S1 FC(F)(F)c1cccc(c1)[*:1] CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(cc2)OC)C(=N[*:1])S1
CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)/C(=N/c2cccc(C(F)(F)F)c2)S1 COc1ccc(cc1)[*:1] CNC(=O)[C@@H]1CC(=O)N(C[*:1])/C(=N/c2cccc(c2)C(F)(F)F)S1
CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)[C@H]2C=CC[NH2+]2)c1 CCN(CC)C(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])[C@H]1C=CC[NH2+]1
Cc1ncccc1NC(=O)N[C@H](C)Cn1cncn1 c1ncn(n1)[*:1] Cc1ncccc1NC(=O)N[C@H](C)C[*:1]
Cc1ncccc1NC(=O)N[C@H](C)Cn1cncn1 c1ncn(C[*:1])n1 Cc1ncccc1NC(=O)N[C@H](C)[*:1]
CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)c2cccc(Cl)c2)C1 CS(=O)(=O)[*:1] O=C(O[C@H]1CC[C@H](C1)[*:1])c1cccc(Cl)c1
C[C@H]1COC[C@H](C)N1Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 c1ccc(cc1)[*:1] C[C@H]1COC[C@H](C)N1Cc1nc2sc(cc2c(=O)[nH]1)[*:1]
NC(=O)C[C@H](NC(=O)c1cccc2[nH]ccc12)C(=O)[O-] NC(=O)[*:1] O=C(N[C@@H](C[*:1])C(=O)[O-])c1cccc2[nH]ccc12
NC(=O)C[C@H](NC(=O)c1cccc2[nH]ccc12)C(=O)[O-] NC(=O)C[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1cccc2[nH]ccc12
NC(=O)C[C@H](NC(=O)c1cccc2[nH]ccc12)C(=O)[O-] O=C([O-])[*:1] NC(=O)C[C@H](NC(=O)c1cccc2[nH]ccc12)[*:1]
CCC[NH2+][C@H](C(C)C)[C@H](C)c1ccccc1F CCC[*:1] CC(C)[C@@H]([NH2+][*:1])[C@H](C)c1ccccc1F
CCC[NH2+][C@H](C(C)C)[C@H](C)c1ccccc1F CC(C)[*:1] CCC[NH2+][C@H]([C@H](C)c1ccccc1F)[*:1]
C[C@@H](NC[C@H](O)c1ccccc1)c1ccoc1 c1cc(co1)[*:1] C[C@@H](NC[C@H](O)c1ccccc1)[*:1]
[NH3+]C[C@H]1CCC[C@H]1NC1COC1 C1OCC1[*:1] [NH3+]C[C@H]1CCC[C@H]1N[*:1]
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NCC(F)(F)F)o2)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)-c1nnc(o1)S[C@@H](C)C(=O)N[*:1]
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NCC(F)(F)F)o2)cc1 Cc1ccc(cc1)[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)NCC(F)(F)F
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NCC(F)(F)F)o2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1nnc(o1)S[C@@H](C)C(=O)NC[*:1]
CCc1ccc([C@@H](CO)NC(=O)c2cn(-c3ccc(F)cc3)nn2)cc1 CCc1ccc(cc1)[*:1] O=C(N[C@H](CO)[*:1])c1cn(nn1)-c1ccc(F)cc1
CCc1ccc([C@@H](CO)NC(=O)c2cn(-c3ccc(F)cc3)nn2)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)c1cn(nn1)[*:1]
N#CCCN(C(=O)Nc1ccc(F)cc1F)C1CC1 N#CCC[*:1] O=C(Nc1ccc(F)cc1F)N(C1CC1)[*:1]
N#CCCN(C(=O)Nc1ccc(F)cc1F)C1CC1 C1CC1[*:1] N#CCCN(C(=O)Nc1ccc(F)cc1F)[*:1]
N#CCCN(C(=O)Nc1ccc(F)cc1F)C1CC1 N#CC[*:1] O=C(Nc1ccc(F)cc1F)N(C[*:1])C1CC1
CCC[C@@H](COC)NC(=O)c1cc(C)c(C#CCN)s1 NCC#C[*:1] CCC[C@@H](COC)NC(=O)c1cc(C)c(s1)[*:1]
CCC[C@@H](COC)NC(=O)c1cc(C)c(C#CCN)s1 COC[*:1] CCC[C@@H](NC(=O)c1cc(C)c(C#CCN)s1)[*:1]
CCC[C@@H](COC)NC(=O)c1cc(C)c(C#CCN)s1 CCC[*:1] COC[C@@H](NC(=O)c1cc(C)c(C#CCN)s1)[*:1]
COc1ccc(C)cc1CN1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 O=C(CS[*:1])N1CCCC1 COc1ccc(C)cc1CN1CCN(CC1)C(=O)c1ccccc1[*:1]
COc1ccc(C)cc1CN1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 COc1ccc(C)cc1C[*:1] O=C(CSc1ccccc1C(=O)N1CCN(CC1)[*:1])N1CCCC1
COc1ccc(C)cc1CN1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] COc1ccc(C)cc1CN1CCN(CC1)C(=O)c1ccccc1SC[*:1]
COc1ccc(C)cc1CN1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 COc1ccc(C)cc1[*:1] O=C(CSc1ccccc1C(=O)N1CCN(CC1)C[*:1])N1CCCC1
COc1ccc(C)cc1CN1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 O=C(C[*:1])N1CCCC1 COc1ccc(C)cc1CN1CCN(CC1)C(=O)c1ccccc1S[*:1]
Cc1nc(C[NH+]2CCN(C(=O)NC3(c4ccccc4)CC3)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(NC1(CC1)c1ccccc1)N1CC[NH+](CC1)[*:1]
Cc1nc(C[NH+]2CCN(C(=O)NC3(c4ccccc4)CC3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(NC1(CC1)c1ccccc1)N1CC[NH+](CC1)C[*:1]
Cc1nc(C[NH+]2CCN(C(=O)NC3(c4ccccc4)CC3)CC2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)C[NH+]1CCN(CC1)C(=O)NC1(CC1)[*:1]
O=C([O-])CC1CCN(C(=O)NCc2ccccn2)CC1 O=C([O-])[*:1] O=C(NCc1ccccn1)N1CCC(CC1)C[*:1]
O=C([O-])CC1CCN(C(=O)NCc2ccccn2)CC1 O=C([O-])C[*:1] O=C(NCc1ccccn1)N1CCC(CC1)[*:1]
O=C([O-])CC1CCN(C(=O)NCc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C([O-])CC1CCN(CC1)C(=O)NC[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)N(C)Cc1nnc(C3CC3)n1C)C2 C1CC1[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N(C)Cc1nnc(n1C)[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)N(C)c3cccc(C)c3)ccc21 Cc1cccc(c1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N(C)[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1cnc2ccc(C#N)cn12 Clc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)Cc1cnc2ccc(C#N)cn12
C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1cnc2ccc(C#N)cn12 Clc1ccc(cc1)C[*:1] C[C@H](N(C)Cc1cnc2ccc(C#N)cn12)[*:1]
CCN(CC#N)S(=O)(=O)c1ccc(Br)cc1C(=O)OC N#CC[*:1] CCN(S(=O)(=O)c1ccc(Br)cc1C(=O)OC)[*:1]
CCN(CC#N)S(=O)(=O)c1ccc(Br)cc1C(=O)OC COC(=O)[*:1] CCN(CC#N)S(=O)(=O)c1ccc(Br)cc1[*:1]
CC(C)C[NH2+]C[C@@]1(c2ccccc2F)CC[C@H]1C CC(C)C[*:1] C[C@@H]1CC[C@@]1(C[NH2+][*:1])c1ccccc1F
CC(C)C[NH2+]C[C@@]1(c2ccccc2F)CC[C@H]1C CC(C)[*:1] C[C@@H]1CC[C@@]1(C[NH2+]C[*:1])c1ccccc1F
C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 C[C@H](NS(C)(=O)=O)[*:1] O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)[*:1]
C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 CS(=O)(=O)N[*:1] C[C@H](C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1)[*:1]
C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCC[C@@H]1C[*:1]
C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCC[C@H]1[*:1]
CCN(CC)C(=O)CC1(C(=O)[O-])CCCCCCCCCCC1 CCN(CC)C(=O)[*:1] O=C([O-])C1(CCCCCCCCCCC1)C[*:1]
CCN(CC)C(=O)CC1(C(=O)[O-])CCCCCCCCCCC1 O=C([O-])[*:1] CCN(CC)C(=O)CC1(CCCCCCCCCCC1)[*:1]
COc1ccc(S[C@H](C)C(=O)N[C@H](C#N)CC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)S[C@H](C)C(=O)N[C@H](C#N)C[*:1]
COc1ccc(S[C@H](C)C(=O)N[C@H](C#N)CC(C)C)cc1 CC(C)C[C@@H](C#N)[*:1] COc1ccc(cc1)S[C@H](C)C(=O)N[*:1]
COc1ccc(S[C@H](C)C(=O)N[C@H](C#N)CC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)S[C@H](C)C(=O)N[C@H](C#N)[*:1]
CCC[C@@H](NCCc1nc(C)no1)c1ccccn1 c1ccc(nc1)[*:1] CCC[C@@H](NCCc1nc(C)no1)[*:1]
CCC[C@@H](NCCc1nc(C)no1)c1ccccn1 Cc1noc(n1)[*:1] CCC[C@@H](NCC[*:1])c1ccccn1
CCC[C@@H](NCCc1nc(C)no1)c1ccccn1 CCC[*:1] Cc1noc(CCN[C@@H](c2ccccn2)[*:1])n1
CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1sccc1C Cc1ccsc1[*:1] CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1ccco1 Fc1ccc(cc1)[*:1] O=C(Nc1cc(ccc1O[*:1])C(F)(F)F)c1ccco1
O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1ccco1 O=C(N[*:1])c1ccco1 Fc1ccc(cc1)Oc1ccc(cc1[*:1])C(F)(F)F
O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1ccco1 Fc1ccc(cc1)O[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)c1ccco1
O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1ccco1 FC(F)(F)[*:1] O=C(Nc1cc(ccc1Oc1ccc(F)cc1)[*:1])c1ccco1
O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1cc(ccc1Oc1ccc(F)cc1)C(F)(F)F)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1CNc1cnn(-c2ncccn2)c1 c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1CNc1cnn(c1)-c1ncccn1)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1CNc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1CNc1cnn(c1)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1CNc1cnn(-c2ncccn2)c1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1CNc1cnn(c1)-c1ncccn1
Cn1cccc1[C@@H](CNC(=O)Nc1ccccc1Cl)N1CC[NH+](C)CC1 Clc1ccccc1[*:1] Cn1cccc1[C@@H](CNC(=O)N[*:1])N1CC[NH+](C)CC1
Cn1cccc1[C@@H](CNC(=O)Nc1ccccc1Cl)N1CC[NH+](C)CC1 Cn1cccc1[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)Nc1ccccc1Cl)[*:1]
O=C(Nc1cccc(OC(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)OC(=O)[*:1])c1ccc(F)cc1
O=C(Nc1cccc(OC(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Oc1cccc(c1)NC(=O)[*:1])c1ccc(F)cc1
COc1cc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc2c1OCCO2 C1CCC(CC1)[*:1] COc1cc(cc2OCCOc12)C(=O)O[C@@H](C)C(=O)N[*:1]
COCCCNC(=O)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 COCCC[*:1] O=C(CCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)N[*:1]
COCCCNC(=O)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 COC[*:1] O=C(CCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)NCC[*:1]
COCCCNC(=O)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 COCCCNC(=O)[*:1] O=c1c2cc3OCOc3cc2[nH]c(=S)n1CC[*:1]
COCCCNC(=O)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 COCC[*:1] O=C(CCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)NC[*:1]
CCCn1nnnc1CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 CCC[*:1] C[C@H](c1cccc(c1)S(N)(=O)=O)N(C)Cc1nnnn1[*:1]
CCCn1nnnc1CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CCCn1nnnc1CN(C)[C@H](C)c1cccc(c1)[*:1]
CC[C@H](C)[C@H](NC(=O)CSc1nc2ccccc2s1)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)CSc1nc2ccccc2s1)[*:1]
CC[C@H](C)[C@H](NC(=O)CSc1nc2ccccc2s1)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@@H](NC(=O)CSc1nc2ccccc2s1)[*:1]
CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2c(F)cccc2Cl)NC(=S)N1 Cc1cc(no1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N[*:1])c1c(F)cccc1Cl
CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2c(F)cccc2Cl)NC(=S)N1 Fc1cccc(Cl)c1[*:1] CC1NC(=S)N[C@H](C=1C(=O)Nc1cc(C)on1)[*:1]
N#C[C@@H](NC(=O)c1cn(Cc2cccnc2)nn1)c1cccc(Cl)c1 c1cncc(c1)[*:1] N#C[C@@H](NC(=O)c1cn(C[*:1])nn1)c1cccc(Cl)c1
N#C[C@@H](NC(=O)c1cn(Cc2cccnc2)nn1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] N#C[C@@H](NC(=O)c1cn(Cc2cccnc2)nn1)[*:1]
N#C[C@@H](NC(=O)c1cn(Cc2cccnc2)nn1)c1cccc(Cl)c1 c1cncc(c1)C[*:1] N#C[C@@H](NC(=O)c1cn(nn1)[*:1])c1cccc(Cl)c1
C=CCOc1ccc(-c2nc(C(=O)Nc3ccccc3)cs2)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])-c1nc(cs1)C(=O)Nc1ccccc1
C=CCOc1ccc(-c2nc(C(=O)Nc3ccccc3)cs2)cc1OC c1ccc(cc1)[*:1] C=CCOc1ccc(cc1OC)-c1nc(cs1)C(=O)N[*:1]
C=CCOc1ccc(-c2nc(C(=O)Nc3ccccc3)cs2)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])-c1nc(cs1)C(=O)Nc1ccccc1
O=C(Cc1ccc(F)c(F)c1)NC1CC1 C1CC1[*:1] O=C(Cc1ccc(F)c(F)c1)N[*:1]
COc1cccc([C@H]2CCCN2Cc2nc(C)cs2)c1 Cc1csc(n1)[*:1] COc1cccc(c1)[C@H]1CCCN1C[*:1]
COC(=O)c1c(NC(=O)C(=O)NNc2ccccc2)sc2c1CCC2 c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)C(=O)NN[*:1])sc2CCCc21
COC(=O)c1c(NC(=O)C(=O)NNc2ccccc2)sc2c1CCC2 COC(=O)[*:1] O=C(NNc1ccccc1)C(=O)Nc1sc2CCCc2c1[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)/C=C/c1cn(C)c2ccccc12 COC(=O)C[*:1] Cn1cc(/C=C/C(=O)N2CCCC[C@@H]2[*:1])c2ccccc21
COC(=O)C[C@H]1CCCCN1C(=O)/C=C/c1cn(C)c2ccccc12 COC(=O)[*:1] Cn1cc(/C=C/C(=O)N2CCCC[C@@H]2C[*:1])c2ccccc21
CN(C)Nc1ncnc(Nc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C)Nc1ncnc(Nc2ccc(cc2)C(=O)[O-])c1[*:1]
CN(C)Nc1ncnc(Nc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] O=C([O-])[*:1] CN(C)Nc1ncnc(Nc2ccc(cc2)[*:1])c1[N+](=O)[O-]
CN(C)Nc1ncnc(Nc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] CN(C)N[*:1] O=C([O-])c1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
O=C(COc1ccc2ccccc2c1)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(COc1ccc2ccccc2c1)N1CCN(CC1)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cnn(C(C)(C)C)c2)c1 CC(C)(C)[*:1] CC(C)N(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1cnn(c1)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cnn(C(C)(C)C)c2)c1 CC(C)N(C)S(=O)(=O)[*:1] CC(C)(C)n1cc(cn1)NC(=O)c1cccc(c1)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cnn(C(C)(C)C)c2)c1 CC(C)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)Nc1cnn(c1)C(C)(C)C)[*:1]
Cc1nc(COC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)sc1C CC(C)(C)C[*:1] Cc1nc(COC(=O)[C@@H]2CSCN2C(=O)[*:1])sc1C
Cc1nc(COC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)sc1C Cc1nc(sc1C)[*:1] CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)OC[*:1]
Cc1nc(COC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)sc1C CC(C)(C)[*:1] Cc1nc(COC(=O)[C@@H]2CSCN2C(=O)C[*:1])sc1C
CCOC(=O)c1cc(Cl)c(NC(=O)c2cccc(OC)c2)cc1OC CCOC(=O)[*:1] COc1cccc(c1)C(=O)Nc1cc(OC)c(cc1Cl)[*:1]
CCOC(=O)c1cc(Cl)c(NC(=O)c2cccc(OC)c2)cc1OC COc1cccc(c1)[*:1] CCOC(=O)c1cc(Cl)c(cc1OC)NC(=O)[*:1]
Cc1ccc(/C=N/NC(=O)c2ccc(F)cc2)s1 Cc1ccc(s1)[*:1] O=C(NN=C[*:1])c1ccc(F)cc1
C[NH+]1CCC(NC(=O)Nc2ccc(Cn3cccn3)cc2)CC1 c1cnn(c1)C[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1ccc(cc1)[*:1]
C[NH+]1CCC(NC(=O)Nc2ccc(Cn3cccn3)cc2)CC1 c1cnn(c1)[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1ccc(cc1)C[*:1]
CC(C)(C)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 O=C1CCCN1[*:1] CC(C)(C)c1ccc(cc1)NC(=O)c1cccc(c1)C[*:1]
CC(C)(C)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)CN1CCCC1=O
CC(C)(C)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 O=C1CCCN1C[*:1] CC(C)(C)c1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
C[C@@H](CO)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H](CO)NC(=O)Nc1cccc(c1)NC(=O)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C)n2Cc2ccccc2)c1C c1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C)n2C[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C)n2Cc2ccccc2)c1C c1ccc(cc1)C[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C)n2[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C)n2Cc2ccccc2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)Sc2nnc(C)n2Cc2ccccc2)c(C)c1[*:1]
CCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)CN(c1ccccc1)S(=O)(=O)[*:1]
CCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 CCOC(=O)C[*:1] O=S(=O)(c1ccc(Cl)cc1)N(c1ccccc1)[*:1]
CCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CCOC(=O)CN(S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 CCOC(=O)[*:1] O=S(=O)(c1ccc(Cl)cc1)N(C[*:1])c1ccccc1
CSCC(=C=O)Cc1ccccc1 CSC[*:1] O=C=C(Cc1ccccc1)[*:1]
O=C(NCc1ccco1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 c1coc(c1)C[*:1] O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)N[*:1]
O=C(NCc1ccco1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 c1coc(c1)[*:1] O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)NC[*:1]
O=C(NCc1ccco1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(NCc1ccco1)NC[C@H](c1ccc(F)cc1)[*:1]
O=C(NCc1ccco1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 Fc1ccc(cc1)[*:1] O=C(NCc1ccco1)NC[C@H](N1CCOCC1)[*:1]
Cc1cc(CC(=O)N[C@@H](CO)c2cc(F)c(F)c(F)c2)no1 Cc1cc(C[*:1])no1 O=C(N[C@@H](CO)c1cc(F)c(F)c(F)c1)[*:1]
Cc1cc(CC(=O)N[C@@H](CO)c2cc(F)c(F)c(F)c2)no1 Cc1cc(no1)[*:1] O=C(C[*:1])N[C@@H](CO)c1cc(F)c(F)c(F)c1
COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)Cc1nnc(C2CC2)n1C N#Cc1ccc(cc1)[*:1] COC(=O)[C@@H](N(C)Cc1nnc(C2CC2)n1C)[*:1]
COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)Cc1nnc(C2CC2)n1C C1CC1[*:1] COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)Cc1nnc(n1C)[*:1]
COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)Cc1nnc(C2CC2)n1C COC(=O)[*:1] CN(Cc1nnc(C2CC2)n1C)[C@H](c1ccc(C#N)cc1)[*:1]
CCC[NH2+][C@@H](c1ccn(C)n1)[C@H]1CCO[C@]2(CCSC2)C1 Cn1ccc(n1)[*:1] CCC[NH2+][C@@H]([C@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCC[NH2+][C@@H](c1ccn(C)n1)[C@H]1CCO[C@]2(CCSC2)C1 CCC[*:1] Cn1ccc(n1)[C@H]([NH2+][*:1])[C@H]1CCO[C@]2(CCSC2)C1
O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](c2cc[nH]n2)C1 c1cc(n[nH]1)[*:1] O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](C1)[*:1]
CN(C)c1cccc(C(=O)N2CCC(c3ccsc3)CC2)c1 c1cc(cs1)[*:1] CN(C)c1cccc(c1)C(=O)N1CCC(CC1)[*:1]
CN(C)c1cccc(C(=O)N2CCC(c3ccsc3)CC2)c1 CN(C)[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)c1ccsc1
COC(=O)c1ccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)o1 COC(=O)[*:1] O=C1NC(C(=O)N1Cc1ccc(o1)[*:1])(c1ccccc1)c1ccccc1
COC(=O)c1ccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)o1 COC(=O)c1ccc(o1)[*:1] O=C1NC(C(=O)N1C[*:1])(c1ccccc1)c1ccccc1
COC(=O)c1ccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)o1 c1ccc(cc1)[*:1] COC(=O)c1ccc(CN2C(=O)NC(C2=O)(c2ccccc2)[*:1])o1
CC(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1O[C@H](C)[C@H](C)O C[C@H](O)[C@@H](C)O[*:1] CC(C)[NH2+]Cc1cc(ccc1[*:1])[N+](=O)[O-]
CC(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1O[C@H](C)[C@H](C)O CC(C)[*:1] C[C@H](O)[C@@H](C)Oc1ccc(cc1C[NH2+][*:1])[N+](=O)[O-]
CC(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1O[C@H](C)[C@H](C)O C[C@H](O)[C@@H](C)[*:1] CC(C)[NH2+]Cc1cc(ccc1O[*:1])[N+](=O)[O-]
CC(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1O[C@H](C)[C@H](C)O C[C@H](O)[*:1] CC(C)[NH2+]Cc1cc(ccc1O[C@H](C)[*:1])[N+](=O)[O-]
CC(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1O[C@H](C)[C@H](C)O O=[N+]([O-])[*:1] CC(C)[NH2+]Cc1cc(ccc1O[C@H](C)[C@H](C)O)[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCCCl)cc21 O=C(CCCCl)N[*:1] C=CCN1C(=O)C(C)(C)COc2ccc(cc21)[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCCCl)cc21 C=CC[*:1] CC1(C)COc2ccc(cc2N(C1=O)[*:1])NC(=O)CCCCl
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCCCl)cc21 ClCCC[*:1] C=CCN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCCCl)cc21 ClCC[*:1] C=CCN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)C[*:1]
COC(=O)[C@H](C)CNC(=O)C1(O)CCCC1 COC(=O)[*:1] C[C@H](CNC(=O)C1(O)CCCC1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)c1nccn2ccnc12 Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1nccn2ccnc12
CC(C)[C@@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)[*:1]
Cc1cc(C[C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 O=[N+]([O-])[*:1] Cc1cc(C[C@H](C)N[C@H](C)c2ccccc2[*:1])n[nH]1
Cc1cc(C[C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])[*:1]
Cc1cc(C[C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@@H](C[*:1])N[C@H](C)c1ccccc1[N+](=O)[O-]
COc1ccc(-n2nnc(C(=O)N(C)Cc3cnn(C)c3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)N(C)Cc1cnn(C)c1
COc1ccc(-n2nnc(C(=O)N(C)Cc3cnn(C)c3)c2C)cc1 Cn1cc(cn1)[*:1] COc1ccc(cc1)-n1nnc(C(=O)N(C)C[*:1])c1C
COc1ccc(-n2nnc(C(=O)N(C)Cc3cnn(C)c3)c2C)cc1 Cn1cc(cn1)C[*:1] COc1ccc(cc1)-n1nnc(C(=O)N(C)[*:1])c1C
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1NC(=O)COC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2)[*:1]
C[C@@H](CN(C)C(=O)c1cccc2cc[nH]c12)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CN(C)C(=O)c1cccc2cc[nH]c12)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)c1 CC(=O)N[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)Nc1cc(ccc1F)[*:1]
CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] CC(C)[*:1] C[C@H](NC(=O)[C@H]([NH3+])[*:1])C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]
CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)NC[*:1]
CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] O=C([O-])CNC(=O)[*:1] CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1[*:1]
CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] O=C([O-])C[*:1] CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[*:1]
COc1ccccc1NC(=O)CNc1cccc(C#Cc2ccccc2)c1 COc1ccccc1[*:1] O=C(CNc1cccc(C#Cc2ccccc2)c1)N[*:1]
COc1ccccc1NC(=O)CNc1cccc(C#Cc2ccccc2)c1 C(#C[*:1])c1ccccc1 COc1ccccc1NC(=O)CNc1cccc(c1)[*:1]
COc1ccccc1NC(=O)CNc1cccc(C#Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)CNc1cccc(C#C[*:1])c1
O=C(Cc1noc2ccccc12)Nc1cccc(CN2CCOC2=O)c1 O=C1OCCN1C[*:1] O=C(Cc1noc2ccccc12)Nc1cccc(c1)[*:1]
O=C(Cc1noc2ccccc12)Nc1cccc(CN2CCOC2=O)c1 O=C1OCCN1[*:1] O=C(Cc1noc2ccccc12)Nc1cccc(c1)C[*:1]
O=C(/C=C/c1cccc(Cl)c1)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(/C=C/c1cccc(Cl)c1)N[C@@H]1CCN(C1)C[*:1]
O=C(/C=C/c1cccc(Cl)c1)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(/C=C/c1cccc(Cl)c1)N[C@@H]1CCN(C1)[*:1]
O=C(/C=C/c1cccc(Cl)c1)N[C@@H]1CCN(CC(F)(F)F)C1 Clc1cccc(c1)[*:1] O=C(C=C[*:1])N[C@@H]1CCN(C1)CC(F)(F)F
CN(C)C(=O)CNC(=O)N1CCC(c2ccc(F)cc2)CC1 CN(C)C(=O)[*:1] O=C(NC[*:1])N1CCC(CC1)c1ccc(F)cc1
CN(C)C(=O)CNC(=O)N1CCC(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN(C)C(=O)CNC(=O)N1CCC(CC1)[*:1]
CN(C)C(=O)CNC(=O)N1CCC(c2ccc(F)cc2)CC1 CN(C)C(=O)C[*:1] O=C(N[*:1])N1CCC(CC1)c1ccc(F)cc1
COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1 COc1ccc(F)cc1[*:1] O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)C(=O)N[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1O[*:1]
CC(=O)Nc1ccccc1C[NH2+][C@H]1CCCCC1(C)C CC(=O)N[*:1] CC1(C)CCCC[C@@H]1[NH2+]Cc1ccccc1[*:1]
COc1ccc(Nc2nn[nH]c2C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)Nc1nn[nH]c1C(=O)NC[*:1]
COc1ccc(Nc2nn[nH]c2C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)Nc1nn[nH]c1C(=O)N[*:1]
COc1ccc(Nc2nn[nH]c2C(=O)NCc2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)c1[nH]nnc1N[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1 OCC[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN(CCO)CC1
CC(=O)NCCc1ccc(S(=O)(=O)Oc2ccccc2C(F)(F)F)s1 CC(=O)N[*:1] O=S(=O)(Oc1ccccc1C(F)(F)F)c1ccc(CC[*:1])s1
CC(=O)NCCc1ccc(S(=O)(=O)Oc2ccccc2C(F)(F)F)s1 CC(=O)NCC[*:1] O=S(=O)(Oc1ccccc1C(F)(F)F)c1ccc(s1)[*:1]
CC(=O)NCCc1ccc(S(=O)(=O)Oc2ccccc2C(F)(F)F)s1 CC(=O)NC[*:1] O=S(=O)(Oc1ccccc1C(F)(F)F)c1ccc(C[*:1])s1
CC(=O)NCCc1ccc(S(=O)(=O)Oc2ccccc2C(F)(F)F)s1 FC(F)(F)[*:1] CC(=O)NCCc1ccc(s1)S(=O)(=O)Oc1ccccc1[*:1]
CC(=O)Nc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1 CC(=O)N[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccc2CCCc2c1
COC(=O)/C=C\CCC(=O)OC COC(=O)[*:1] COC(=O)CCC=C[*:1]
COC(=O)/C=C\CCC(=O)OC COC(=O)[*:1] COC(=O)/C=C\CC[*:1]
C[C@@H](C(=O)Nc1ccccc1Cl)n1cc(Br)cn1 Brc1cnn(c1)[*:1] C[C@@H](C(=O)Nc1ccccc1Cl)[*:1]
CN(CC(=O)N[C@H]1CCC[C@@H]1CO)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(CC(=O)N[C@H]1CCC[C@@H]1CO)S(=O)(=O)[*:1]
COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=S)NC(=O)C=C[*:1]
Cc1cccn2c(CN3C[C@@H](C)O[C@H](c4ccc(F)cc4)C3)cnc12 Fc1ccc(cc1)[*:1] Cc1cccn2c(cnc12)CN1C[C@@H](C)O[C@H](C1)[*:1]
O=C1[C@@H](NC(=O)N2CCOC[C@H]2C2CC2)CCN1c1cccc(Cl)c1 C1CC1[*:1] O=C1[C@H](CCN1c1cccc(Cl)c1)NC(=O)N1CCOC[C@@H]1[*:1]
O=C1[C@@H](NC(=O)N2CCOC[C@H]2C2CC2)CCN1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])N1CCOC[C@H]1C1CC1
CCCCOc1ccc(C(=O)N2CCC(C)(C)C2)cc1OC CCCC[*:1] COc1cc(ccc1O[*:1])C(=O)N1CCC(C)(C)C1
CCCCOc1ccc(C(=O)N2CCC(C)(C)C2)cc1OC CCCCO[*:1] COc1cc(ccc1[*:1])C(=O)N1CCC(C)(C)C1
CCCCOc1ccc(C(=O)N2CCC(C)(C)C2)cc1OC CCC[*:1] COc1cc(ccc1OC[*:1])C(=O)N1CCC(C)(C)C1
C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)[*:1]
C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)c1cccc(C#N)c1 Fc1cccc(c1)[*:1] C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1[*:1])c1cccc(C#N)c1
O=CN[C@H](c1ccccc1)c1ccccc1Br O=CN[*:1] Brc1ccccc1[C@@H](c1ccccc1)[*:1]
CCNC1=[NH+]C(CN2CCOCC2)=N[C@@H]2SC(C)=C(C)[C@H]12 C1CN(CCO1)[*:1] CCNC1=[NH+]C(C[*:1])=N[C@@H]2SC(C)=C(C)[C@H]12
CCNC1=[NH+]C(CN2CCOCC2)=N[C@@H]2SC(C)=C(C)[C@H]12 C1CN(CCO1)C[*:1] CCNC1=[NH+]C(=N[C@@H]2SC(C)=C(C)[C@H]12)[*:1]
Cc1csc(CS(=O)(=O)[C@H](C)c2ccc(F)cc2)n1 Cc1csc(n1)[*:1] C[C@H](c1ccc(F)cc1)S(=O)(=O)C[*:1]
CC[C@@H](C)n1ncc(C(=O)NNc2ncnc3[nH]cnc23)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NNc2ncnc3[nH]cnc23)c1[*:1]
COc1cccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 COc1cccc(c1)[*:1] O=C(Cn1cnnn1)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 c1nnnn1C[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 c1nnnn1[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)C[*:1]
O=C(CCSC1=NC(Cl)=N[C@H]2N=CN=C12)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CCSC1=NC(Cl)=N[C@H]2N=CN=C12)N[*:1]
O=C(CCSC1=NC(Cl)=N[C@H]2N=CN=C12)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CCSC1=NC(Cl)=N[C@H]2N=CN=C12)NC[*:1]
Cc1cccc(NC(=O)c2cnn(C(=O)c3ccccc3)c2N)c1 Cc1cccc(c1)[*:1] Nc1c(cnn1C(=O)c1ccccc1)C(=O)N[*:1]
Cc1cccc(NC(=O)c2cnn(C(=O)c3ccccc3)c2N)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)c1cnn(C(=O)[*:1])c1N
CCn1nc(C)c2[nH]c(=S)n([C@H](C)c3ccccc3F)c21 Fc1ccccc1[*:1] CCn1nc(C)c2[nH]c(=S)n(c21)[C@H](C)[*:1]
CNS(=O)(=O)CC(=O)NC[C@H](C)c1c(Cl)cccc1Cl CNS(=O)(=O)C[*:1] C[C@@H](CNC(=O)[*:1])c1c(Cl)cccc1Cl
CNS(=O)(=O)CC(=O)NC[C@H](C)c1c(Cl)cccc1Cl CNS(=O)(=O)[*:1] C[C@@H](CNC(=O)C[*:1])c1c(Cl)cccc1Cl
COc1cccc(NC(=O)N2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])N1CCN2C(=O)N(C[C@H]2C1)C1CCCCC1
COc1cccc(NC(=O)N2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)c1 C1CCC(CC1)[*:1] COc1cccc(c1)NC(=O)N1CCN2C(=O)N(C[C@H]2C1)[*:1]
CCC[NH2+][C@H]1CCO[C@@]2(CCCCC2(C)C)C1 CCC[*:1] CC1(C)CCCC[C@]12C[C@H](CCO2)[NH2+][*:1]
CN(Cc1ncnn1C)C(=O)CSCc1ccccn1 c1ccc(nc1)[*:1] CN(Cc1ncnn1C)C(=O)CSC[*:1]
CN(Cc1ncnn1C)C(=O)CSCc1ccccn1 Cn1ncnc1[*:1] CN(C[*:1])C(=O)CSCc1ccccn1
C[C@H]1CC[C@@H](C)c2c1nc1cc(F)c(Cl)cc1c2C(=O)[O-] O=C([O-])[*:1] C[C@H]1CC[C@@H](C)c2c1nc1cc(F)c(Cl)cc1c2[*:1]
[NH3+]C[C@H](Cc1ccc(F)cc1)C[C@@H]1COc2ccccc21 Fc1ccc(cc1)[*:1] [NH3+]C[C@@H](C[C@@H]1COc2ccccc21)C[*:1]
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C1CC1 C1CC1[*:1] Cc1nc(sc1C(=O)NNC(=O)[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C1CC1 C1CN(CCO1)[*:1] Cc1nc(sc1C(=O)NNC(=O)C1CC1)[*:1]
CCC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)CN1CCC([NH3+])CC1 CCC[*:1] [NH3+]C1CCN(CC1)CC(=O)N1[C@H](CS[C@H]1[*:1])C(=O)[O-]
CCC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)CN1CCC([NH3+])CC1 [NH3+]C1CCN(CC1)[*:1] CCC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)C[*:1]
CCC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)CN1CCC([NH3+])CC1 O=C([O-])[*:1] CCC[C@@H]1SC[C@H](N1C(=O)CN1CCC([NH3+])CC1)[*:1]
CCO[C@H](C)n1cc(I)cn1 CCO[*:1] C[C@H](n1cc(I)cn1)[*:1]
CCCCn1cc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)c2cc(F)c(N3CCCCC3)cc21 CCCC[*:1] Cc1ccc(cc1C)S(=O)(=O)c1cn(c2cc(c(F)cc2c1=O)N1CCCCC1)[*:1]
CCCCn1cc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)c2cc(F)c(N3CCCCC3)cc21 C1CCN(CC1)[*:1] CCCCn1cc(c(=O)c2cc(F)c(cc21)[*:1])S(=O)(=O)c1ccc(C)c(C)c1
CCCCn1cc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)c2cc(F)c(N3CCCCC3)cc21 CCC[*:1] Cc1ccc(cc1C)S(=O)(=O)c1cn(C[*:1])c2cc(c(F)cc2c1=O)N1CCCCC1
CCCCn1cc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)c2cc(F)c(N3CCCCC3)cc21 Cc1ccc(cc1C)[*:1] CCCCn1cc(c(=O)c2cc(F)c(cc21)N1CCCCC1)S(=O)(=O)[*:1]
CCCCn1cc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)c2cc(F)c(N3CCCCC3)cc21 Cc1ccc(cc1C)S(=O)(=O)[*:1] CCCCn1cc(c(=O)c2cc(F)c(cc21)N1CCCCC1)[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccnc2OCC(C)C)CC1 Cc1ccccc1[*:1] CC(C)COc1ncccc1C(=O)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccnc2OCC(C)C)CC1 CC(C)C[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)c1cccnc1O[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccnc2OCC(C)C)CC1 CC(C)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)c1cccnc1OC[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccnc2OCC(C)C)CC1 Cc1ccccc1CO[*:1] CC(C)COc1ncccc1C(=O)N1CCC(CC1)[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccnc2OCC(C)C)CC1 CC(C)CO[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)c1cccnc1[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccnc2OCC(C)C)CC1 Cc1ccccc1C[*:1] CC(C)COc1ncccc1C(=O)N1CCC(CC1)O[*:1]
Cc1nc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c(-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C(=O)NC[C@H](N2CCOCC2)[*:1])c(s1)-c1ccccc1
Cc1nc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c(-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c(s1)[*:1]
Cc1nc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c(-c2ccccc2)s1 C1CN(CCO1)[*:1] Cc1nc(C(=O)NC[C@H](c2ccccc2)[*:1])c(s1)-c1ccccc1
CC(C)OC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)Nc1ccc(Br)cc12 CC(C)OC(=O)[*:1] NC1Oc2c(c(=O)oc3ccccc23)[C@]2(C(=O)Nc3ccc(Br)cc32)C=1[*:1]
CC(C)OC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)Nc1ccc(Br)cc12 CC(C)[*:1] NC1Oc2c(c(=O)oc3ccccc23)[C@]2(C(=O)Nc3ccc(Br)cc32)C=1C(=O)O[*:1]
O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)C1CCCC1 c1ccc(cc1)[*:1] O=C(NC(=S)Nc1nc(cs1)[*:1])C1CCCC1
O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)C1CCCC1 C1CCC(C1)[*:1] O=C(NC(=S)Nc1nc(cs1)-c1ccccc1)[*:1]
CCN1CCN(C(=O)[C@H]2CCCN(C(=O)c3csc(Nc4cccc(C)c4)n3)C2)CC1 Cc1cccc(c1)[*:1] CCN1CCN(CC1)C(=O)[C@H]1CCCN(C1)C(=O)c1csc(n1)N[*:1]
CCN1CCN(C(=O)[C@H]2CCCN(C(=O)c3csc(Nc4cccc(C)c4)n3)C2)CC1 Cc1cccc(c1)N[*:1] CCN1CCN(CC1)C(=O)[C@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
CCN1CCN(C(=O)[C@H]2CCCN(C(=O)c3csc(Nc4cccc(C)c4)n3)C2)CC1 CCN1CCN(CC1)C(=O)[*:1] Cc1cccc(c1)Nc1nc(cs1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(N2C(=O)C[C@H](C(=O)NN3C(=O)NC4(CCCCC4)C3=O)[C@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CC(=O)N([C@@H]1c1cccs1)[*:1]
Cc1ccc(N2C(=O)C[C@H](C(=O)NN3C(=O)NC4(CCCCC4)C3=O)[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@@H]1[*:1]
CN(C)S(=O)(=O)N1CC[NH+](CCc2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] CN(C)S(=O)(=O)N1CC[NH+](CCc2ccccc2[*:1])CC1
CC[C@H](C)NC(=O)C(=O)Nc1cc(NC(C)=O)ccc1F CC(=O)N[*:1] CC[C@H](C)NC(=O)C(=O)Nc1cc(ccc1F)[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1cc(NC(C)=O)ccc1F CC[C@H](C)[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)C(=O)N[*:1]
O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2ccc3ccccc3c2N1 O=[N+]([O-])[*:1] O=C1C[C@@H](c2ccccc2[*:1])c2ccc3ccccc3c2N1
CCCCn1c(NC(=O)Nc2ccccc2C#N)c2ccccc2nc1=O N#Cc1ccccc1[*:1] CCCCn1c(NC(=O)N[*:1])c2ccccc2nc1=O
CCCCn1c(NC(=O)Nc2ccccc2C#N)c2ccccc2nc1=O CCC[*:1] N#Cc1ccccc1NC(=O)Nc1c2ccccc2nc(=O)n1C[*:1]
CCCCn1c(NC(=O)Nc2ccccc2C#N)c2ccccc2nc1=O CCCC[*:1] N#Cc1ccccc1NC(=O)Nc1c2ccccc2nc(=O)n1[*:1]
[NH3+]C[C@@H](c1cccc(Cl)c1)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] [NH3+]C[C@@H](c1cccc(Cl)c1)S(=O)(=O)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 CCC[C@@H]1C[C@@H]1[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N[*:1]
CCC[C@@H]1C[C@H]1NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 CCC[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N[C@@H]1C[C@H]1[*:1]
Cc1cc(C)n(CCOC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 C(=C[*:1])c1ccccc1 Cc1cc(C)n(CCOC(=O)C2CCN(CC2)C(=O)[*:1])n1
Cc1cc(C)n(CCOC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CCOC(=O)C2CCN(CC2)C(=O)C=C[*:1])n1
Cc1cc(C)n(CCOC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 Cc1cc(C)n(C[*:1])n1 O=C(OC[*:1])C1CCN(CC1)C(=O)/C=C/c1ccccc1
Cc1cc(C)n(CCOC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 Cc1cc(C)n(CC[*:1])n1 O=C(O[*:1])C1CCN(CC1)C(=O)/C=C/c1ccccc1
Cc1cc(C)n(CCOC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 Cc1cc(C)n(n1)[*:1] O=C(OCC[*:1])C1CCN(CC1)C(=O)/C=C/c1ccccc1
COc1ccc(-n2cc(C=O)c(-c3ccc(Br)cc3)n2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)-n1cc(C=O)c(n1)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)[C@H](C)c2ccsc2)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)[C@H](C)[*:1]
CCc1nc(CSCc2nsc(N(C)C)n2)no1 CN(C)[*:1] CCc1nc(CSCc2nsc(n2)[*:1])no1
NC(=O)[C@@H]1COCCN1Cc1ccc(F)cc1Cl NC(=O)[*:1] Fc1ccc(CN2CCOC[C@H]2[*:1])c(Cl)c1
c1ccc(C2=NCN(Cc3cnn(-c4ccccc4)c3)[C@H]2c2ncc[nH]2)cc1 c1c[nH]c(n1)[*:1] c1ccc(cc1)C1=NCN(Cc2cnn(c2)-c2ccccc2)[C@@H]1[*:1]
c1ccc(C2=NCN(Cc3cnn(-c4ccccc4)c3)[C@H]2c2ncc[nH]2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)C1=NCN(Cc2cnn(c2)[*:1])[C@H]1c1ncc[nH]1
c1ccc(C2=NCN(Cc3cnn(-c4ccccc4)c3)[C@H]2c2ncc[nH]2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-n1cc(cn1)CN1CN=C([C@@H]1c1ncc[nH]1)[*:1]
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC3CCCCC3)ccc12 C1CCC(CC1)[*:1] Cc1cc(=O)oc2cc(ccc12)O[C@@H](C)C(=O)N[*:1]
CNC(=O)C[C@@H](C)N(C)C(=O)CCC(=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] CNC(=O)C[C@@H](C)N(C)C(=O)CCC(=O)N[*:1]
CNC(=O)C[C@@H](C)N(C)C(=O)CCC(=O)NC1CCCCCCC1 CNC(=O)[*:1] C[C@H](C[*:1])N(C)C(=O)CCC(=O)NC1CCCCCCC1
CNC(=O)C[C@@H](C)N(C)C(=O)CCC(=O)NC1CCCCCCC1 CNC(=O)C[*:1] C[C@@H](N(C)C(=O)CCC(=O)NC1CCCCCCC1)[*:1]
C[NH+]1CCN(C(=O)c2ccccc2NC(=S)NC(=O)c2ccco2)CC1 c1coc(c1)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccccc1NC(=S)NC(=O)[*:1]
N#Cc1ccc(N2CC[C@@H](Nc3cccc4c3OCCO4)C2=O)cc1 N#Cc1ccc(cc1)[*:1] O=C1[C@@H](CCN1[*:1])Nc1cccc2OCCOc12
O=C([O-])CSc1nc2cnccc2n1Cc1cscn1 O=C([O-])CS[*:1] c1cc2c(cn1)nc(n2Cc1cscn1)[*:1]
O=C([O-])CSc1nc2cnccc2n1Cc1cscn1 c1nc(cs1)[*:1] O=C([O-])CSc1nc2cnccc2n1C[*:1]
O=C([O-])CSc1nc2cnccc2n1Cc1cscn1 O=C([O-])[*:1] c1cc2c(cn1)nc(SC[*:1])n2Cc1cscn1
O=C([O-])CSc1nc2cnccc2n1Cc1cscn1 O=C([O-])C[*:1] c1cc2c(cn1)nc(S[*:1])n2Cc1cscn1
O=C([O-])CSc1nc2cnccc2n1Cc1cscn1 c1nc(cs1)C[*:1] O=C([O-])CSc1nc2cnccc2n1[*:1]
FC(F)(F)C1=CCN(CCCOc2ccc3c(c2)OCO3)CC1 FC(F)(F)[*:1] C1CN(CCCOc2ccc3OCOc3c2)CCC=1[*:1]
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cn(CC(=O)N(C)C)nn1 FC(F)(F)[*:1] CC(C)[C@@H](C)N(C[*:1])C(=O)c1cn(CC(=O)N(C)C)nn1
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cn(CC(=O)N(C)C)nn1 CN(C)C(=O)C[*:1] CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cn(nn1)[*:1]
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cn(CC(=O)N(C)C)nn1 CN(C)C(=O)[*:1] CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cn(C[*:1])nn1
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cn(CC(=O)N(C)C)nn1 CC(C)[*:1] C[C@@H](N(CC(F)(F)F)C(=O)c1cn(CC(=O)N(C)C)nn1)[*:1]
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cn(CC(=O)N(C)C)nn1 CC(C)[C@@H](C)[*:1] CN(C)C(=O)Cn1cc(nn1)C(=O)N(CC(F)(F)F)[*:1]
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cn(CC(=O)N(C)C)nn1 FC(F)(F)C[*:1] CC(C)[C@@H](C)N(C(=O)c1cn(CC(=O)N(C)C)nn1)[*:1]
Cc1cc(NC[C@@H]([NH3+])[C@@H](C)O)ncc1[N+](=O)[O-] C[C@@H](O)[*:1] Cc1cc(ncc1[N+](=O)[O-])NC[C@@H]([NH3+])[*:1]
Cc1cc(NC[C@@H]([NH3+])[C@@H](C)O)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])NC[C@@H]([NH3+])[C@@H](C)O
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)[C@H]3CCCN3S(C)(=O)=O)nc12 CCO[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)N(Cc1cccnc1)c1nc2c(cccc2s1)[*:1]
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)[C@H]3CCCN3S(C)(=O)=O)nc12 c1cncc(c1)[*:1] CCOc1cccc2sc(nc12)N(C[*:1])C(=O)[C@H]1CCCN1S(C)(=O)=O
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)[C@H]3CCCN3S(C)(=O)=O)nc12 c1cncc(c1)C[*:1] CCOc1cccc2sc(nc12)N(C(=O)[C@H]1CCCN1S(C)(=O)=O)[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1cc(C(=O)NC2CC2)ccc1C O=C(NC1CC1)[*:1] CNC(=O)[C@@H](C)NC(=O)Nc1cc(ccc1C)[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1cc(C(=O)NC2CC2)ccc1C CNC(=O)[*:1] Cc1ccc(cc1NC(=O)N[C@H](C)[*:1])C(=O)NC1CC1
CNC(=O)[C@@H](C)NC(=O)Nc1cc(C(=O)NC2CC2)ccc1C CNC(=O)[C@@H](C)[*:1] Cc1ccc(cc1NC(=O)N[*:1])C(=O)NC1CC1
CNC(=O)[C@@H](C)NC(=O)Nc1cc(C(=O)NC2CC2)ccc1C C1CC1[*:1] CNC(=O)[C@@H](C)NC(=O)Nc1cc(ccc1C)C(=O)N[*:1]
C[C@H](NC(=O)c1ccncc1/C=C/C(=O)[O-])c1ccco1 O=C([O-])[*:1] C[C@H](NC(=O)c1ccncc1C=C[*:1])c1ccco1
C[C@H](NC(=O)c1ccncc1/C=C/C(=O)[O-])c1ccco1 O=C([O-])C=C[*:1] C[C@H](NC(=O)c1ccncc1[*:1])c1ccco1
C[C@H](NC(=O)c1ccncc1/C=C/C(=O)[O-])c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)c1ccncc1/C=C/C(=O)[O-])[*:1]
C[C@H](NC(=O)c1ccncc1/C=C/C(=O)[O-])c1ccco1 C[C@H](c1ccco1)[*:1] O=C([O-])/C=C/c1cnccc1C(=O)N[*:1]
O=C(Cc1ccc(F)cc1)Nc1nc2c(Cl)ccc(Cl)c2s1 Fc1ccc(cc1)[*:1] O=C(C[*:1])Nc1nc2c(Cl)ccc(Cl)c2s1
C#CCN1CCN(C(=O)NC2CCN(C(=O)OCC)CC2)CC1 C#CC[*:1] CCOC(=O)N1CCC(CC1)NC(=O)N1CCN(CC1)[*:1]
CC(C)c1ccc(C[S@@](=O)Cc2nnc(-c3cccc(F)c3)o2)cc1 CC(C)[*:1] O=[S@](Cc1ccc(cc1)[*:1])Cc1nnc(o1)-c1cccc(F)c1
CC(C)c1ccc(C[S@@](=O)Cc2nnc(-c3cccc(F)c3)o2)cc1 Fc1cccc(c1)[*:1] CC(C)c1ccc(cc1)C[S@@](=O)Cc1nnc(o1)[*:1]
Cc1nc2cc3c(cc2n1C[C@H](O)COCc1cccs1)OCCO3 c1csc(c1)CO[*:1] Cc1nc2cc3OCCOc3cc2n1C[C@H](O)C[*:1]
Cc1nc2cc3c(cc2n1C[C@H](O)COCc1cccs1)OCCO3 c1csc(c1)C[*:1] Cc1nc2cc3OCCOc3cc2n1C[C@H](O)CO[*:1]
Cc1nc2cc3c(cc2n1C[C@H](O)COCc1cccs1)OCCO3 c1csc(c1)[*:1] Cc1nc2cc3OCCOc3cc2n1C[C@H](O)COC[*:1]
Cc1nc2cc3c(cc2n1C[C@H](O)COCc1cccs1)OCCO3 c1csc(c1)COC[*:1] Cc1nc2cc3OCCOc3cc2n1C[C@H](O)[*:1]
COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O O=[N+]([O-])[*:1] COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc(c1C)[*:1])S(C)(=O)=O
COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O COc1ccc(Cl)cc1[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)[C@H](C)N(S(C)(=O)=O)[*:1]
O=C(Nc1ccc2[nH]ncc2c1)c1ccc(C(F)(F)F)nc1[O-] FC(F)(F)[*:1] O=C(Nc1ccc2[nH]ncc2c1)c1ccc(nc1[O-])[*:1]
Cc1ccc(-c2ncc(CN(C)CC(=O)Nc3cc(C)ccn3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1ccnc(c1)NC(=O)CN(C)Cc1cnc(s1)[*:1]
Cc1ccc(-c2ncc(CN(C)CC(=O)Nc3cc(C)ccn3)s2)cc1 Cc1ccnc(c1)[*:1] Cc1ccc(cc1)-c1ncc(CN(C)CC(=O)N[*:1])s1
CC(C)CN(c1ncc(Br)cc1C[NH3+])C1CCCC1 CC(C)C[*:1] [NH3+]Cc1cc(Br)cnc1N(C1CCCC1)[*:1]
CC(C)CN(c1ncc(Br)cc1C[NH3+])C1CCCC1 CC(C)[*:1] [NH3+]Cc1cc(Br)cnc1N(C[*:1])C1CCCC1
CC(C)CN(c1ncc(Br)cc1C[NH3+])C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(c1ncc(Br)cc1C[NH3+])[*:1]
COC(=O)c1ccc(OC)cc1OC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 COC(=O)[*:1] COc1ccc(c(c1)OC(=O)[C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
O=C([O-])C[C@H](c1ccccc1)N1C(=O)CCCCC1=O O=C([O-])C[*:1] O=C1CCCCC(=O)N1[C@@H](c1ccccc1)[*:1]
O=C([O-])C[C@H](c1ccccc1)N1C(=O)CCCCC1=O c1ccc(cc1)[*:1] O=C([O-])C[C@H](N1C(=O)CCCCC1=O)[*:1]
O=C([O-])C[C@H](c1ccccc1)N1C(=O)CCCCC1=O O=C([O-])[*:1] O=C1CCCCC(=O)N1[C@H](C[*:1])c1ccccc1
O=C(Cc1ccccc1)Nc1cc(Cl)ccc1C(=O)[O-] O=C([O-])[*:1] O=C(Cc1ccccc1)Nc1cc(Cl)ccc1[*:1]
O=C(Cc1ccccc1)Nc1cc(Cl)ccc1C(=O)[O-] c1ccc(cc1)[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1C(=O)[O-]
CSc1cccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 O=[N+]([O-])[*:1] CSc1cccc(c1)NC(=O)CCCn1c(=O)oc2cc(ccc21)[*:1]
CSc1cccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 CSc1cccc(c1)[*:1] O=C(CCCn1c(=O)oc2cc(ccc21)[N+](=O)[O-])N[*:1]
CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NC[C@@H]1Cc2ccccc21 NS(=O)(=O)[*:1] CS(=O)(=O)c1cc(ccc1NC[C@@H]1Cc2ccccc21)[*:1]
CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NC[C@@H]1Cc2ccccc21 c1ccc2c(c1)C[C@H]2[*:1] CS(=O)(=O)c1cc(ccc1NC[*:1])S(N)(=O)=O
CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NC[C@@H]1Cc2ccccc21 CS(=O)(=O)[*:1] NS(=O)(=O)c1ccc(NC[C@@H]2Cc3ccccc32)c(c1)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)N(C)Cc2cccc(Cl)c2)C(C)C)cc1 Clc1cccc(c1)C[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)N(C)[*:1])C(C)C
Cc1ccc(C(=O)N[C@@H](C(=O)N(C)Cc2cccc(Cl)c2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N(C)Cc1cccc(Cl)c1
Cc1ccc(C(=O)N[C@@H](C(=O)N(C)Cc2cccc(Cl)c2)C(C)C)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)N(C)C[*:1])C(C)C
Cc1ccc(C(=O)N[C@@H](C(=O)N(C)Cc2cccc(Cl)c2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)N(C)Cc1cccc(Cl)c1)[*:1]
CNc1nc([C@H]2CCCN(C(C)=O)C2)[nH+]c2c1CN(C(=O)Cc1ccc(C)c(C)c1)CC2 Cc1ccc(cc1C)[*:1] CNc1nc([nH+]c2CCN(Cc12)C(=O)C[*:1])[C@H]1CCCN(C1)C(C)=O
CNc1nc([C@H]2CCCN(C(C)=O)C2)[nH+]c2c1CN(C(=O)Cc1ccc(C)c(C)c1)CC2 Cc1ccc(cc1C)C[*:1] CNc1nc([nH+]c2CCN(Cc12)C(=O)[*:1])[C@H]1CCCN(C1)C(C)=O
CCOC(=O)/C([O-])=C/C(=O)c1cccc(OC)c1 CCOC(=O)[*:1] COc1cccc(c1)C(=O)/C=C(\[O-])[*:1]
CC(C)(C(=O)N=c1[nH]c2ccccc2[nH]1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C(=O)N=c1[nH]c2ccccc2[nH]1)[*:1]
COCCNC(=O)[C@@H]1CCN(c2cccc(Cl)c2C)C1=O COCCNC(=O)[*:1] Cc1c(Cl)cccc1N1CC[C@H](C1=O)[*:1]
COCCNC(=O)[C@@H]1CCN(c2cccc(Cl)c2C)C1=O COC[*:1] Cc1c(Cl)cccc1N1CC[C@@H](C(=O)NC[*:1])C1=O
COCCNC(=O)[C@@H]1CCN(c2cccc(Cl)c2C)C1=O COCC[*:1] Cc1c(Cl)cccc1N1CC[C@@H](C(=O)N[*:1])C1=O
COC(=O)c1ccc(C(=O)NCc2nc3ccccc3n2C)cc1 COC(=O)[*:1] Cn1c(CNC(=O)c2ccc(cc2)[*:1])nc2ccccc21
COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](C)Cc3ccccc3)C2=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](C)C[*:1])C2=O)cc1OC
COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](C)Cc3ccccc3)C2=O)cc1OC c1ccc(cc1)C[*:1] COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](C)[*:1])C2=O)cc1OC
COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](C)Cc3ccccc3)C2=O)cc1OC COc1ccc(cc1OC)[*:1] C[NH+](Cc1ccccc1)Cc1c([O-])ccc2C(=O)C(=C[*:1])Oc21
CC(C)C[C@@H](NC(=O)N(C)CC(C)C)c1cccs1 CC(C)[*:1] CC(C)C[C@@H](NC(=O)N(C)C[*:1])c1cccs1
CC(C)C[C@@H](NC(=O)N(C)CC(C)C)c1cccs1 c1csc(c1)[*:1] CC(C)C[C@@H](NC(=O)N(C)CC(C)C)[*:1]
CC(C)C[C@@H](NC(=O)N(C)CC(C)C)c1cccs1 CC(C)[*:1] CC(C)CN(C)C(=O)N[C@H](C[*:1])c1cccs1
CC(C)C[C@@H](NC(=O)N(C)CC(C)C)c1cccs1 CC(C)C[*:1] CC(C)C[C@@H](NC(=O)N(C)[*:1])c1cccs1
CC(C)C[C@@H](NC(=O)N(C)CC(C)C)c1cccs1 CC(C)C[*:1] CC(C)CN(C)C(=O)N[C@@H](c1cccs1)[*:1]
Cc1ccc(NC(=O)N(C)Cc2ccc([S@@](C)=O)cc2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N(C)Cc1ccc(cc1)[S@@](C)=O
C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C)C2)c1 C[C@@H]1CCCN(C1)C(=O)[*:1] C=CCN(c1ccc(cc1)OC)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C)C2)c1 COc1ccc(cc1)[*:1] C=CCN(S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCC[C@@H](C)C1)[*:1]
C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C)C2)c1 C=CC[*:1] COc1ccc(cc1)N(S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCC[C@@H](C)C1)[*:1]
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)CC)cc1)n2CC CCO[*:1] CCn1/c(=N/C(=O)c2ccc(cc2)S(=O)(=O)CC)sc2cc(ccc21)[*:1]
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)CC)cc1)n2CC CCS(=O)(=O)[*:1] CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(cc1)[*:1])n2CC
C[C@@H](NC(=O)Nc1ccccc1CN1CCc2ccccc21)[C@@H]1CCCO1 c1ccc2c(c1)CCN2[*:1] C[C@@H](NC(=O)Nc1ccccc1C[*:1])[C@@H]1CCCO1
CCCc1ncc(C(=O)NC(=N)c2cccc(OCC)c2)s1 CCO[*:1] CCCc1ncc(s1)C(=O)NC(=N)c1cccc(c1)[*:1]
CCCc1ncc(C(=O)NC(=N)c2cccc(OCC)c2)s1 CCC[*:1] CCOc1cccc(c1)C(=N)NC(=O)c1cnc(s1)[*:1]
CS/C(=N\S(=O)(=O)c1ccccc1)[N-]/N=C/c1ccccn1 c1ccc(nc1)[*:1] CS/C(=N\S(=O)(=O)c1ccccc1)[N-]N=C[*:1]
CS/C(=N\S(=O)(=O)c1ccccc1)[N-]/N=C/c1ccccn1 c1ccc(cc1)[*:1] CS/C(=N\S(=O)(=O)[*:1])[N-]/N=C/c1ccccn1
C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccccc1Br C=CC[*:1] Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2Br)n1[*:1]
C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccccc1Br Brc1ccccc1[*:1] C=CCn1c(C)nnc1S[C@H](C)C(=O)N[*:1]
CC[C@@H](C)c1ccccc1NC(=O)c1c(-c2ccccc2)noc1C CC[C@@H](C)[*:1] Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1[*:1]
CC[C@@H](C)c1ccccc1NC(=O)c1c(-c2ccccc2)noc1C c1ccc(cc1)[*:1] CC[C@@H](C)c1ccccc1NC(=O)c1c(noc1C)[*:1]
CCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2C)cc1 CCC(C)(C)[*:1] Cc1ccccc1C(=O)NNC(=O)COc1ccc(cc1)[*:1]
CCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] CCC(C)(C)c1ccc(cc1)OCC(=O)NNC(=O)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N[C@@H]1CCCc2ccc(F)cc21 C[C@@H](O)[*:1] CC(C)(CNC(=O)N[C@@H]1CCCc2ccc(F)cc21)C[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N[C@@H]1CCCc2ccc(F)cc21 C[C@@H](O)C[*:1] CC(C)(CNC(=O)N[C@@H]1CCCc2ccc(F)cc21)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N[C@@H]1CCCc2ccc(F)cc21 C[C@@H](O)CC(C)(C)[*:1] O=C(NC[*:1])N[C@@H]1CCCc2ccc(F)cc21
CC(=O)Nc1cccc(NC(=O)N(C)CCOc2ccccc2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)N(C)CCOc1ccccc1
CC(=O)Nc1cccc(NC(=O)N(C)CCOc2ccccc2)c1C c1ccc(cc1)O[*:1] CC(=O)Nc1cccc(NC(=O)N(C)CC[*:1])c1C
CC(=O)Nc1cccc(NC(=O)N(C)CCOc2ccccc2)c1C c1ccc(cc1)[*:1] CC(=O)Nc1cccc(NC(=O)N(C)CCO[*:1])c1C
CC(=O)Nc1cccc(NC(=O)N(C)CCOc2ccccc2)c1C c1ccc(cc1)OC[*:1] CC(=O)Nc1cccc(NC(=O)N(C)C[*:1])c1C
Cc1cnn(CC[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] Cc1cnn(c1)CC[NH2+]C[C@@H](O)c1ccc(cc1)[*:1]
Cc1cnn(CC[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 Cc1cnn(c1)C[*:1] O[C@H](C[NH2+]C[*:1])c1ccc(cc1)C(F)(F)F
Cc1cnn(CC[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 Cc1cnn(c1)[*:1] O[C@H](C[NH2+]CC[*:1])c1ccc(cc1)C(F)(F)F
COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 COC(=O)[*:1] C[C@@H]1C[C@H]1C(=O)Nc1cccc(c1)[*:1]
CCCNC(=O)[C@H](C)N1CCN(CC(=O)NC(C)C)CC1 CC(C)NC(=O)C[*:1] CCCNC(=O)[C@H](C)N1CCN(CC1)[*:1]
CCCNC(=O)[C@H](C)N1CCN(CC(=O)NC(C)C)CC1 CCCNC(=O)[*:1] CC(C)NC(=O)CN1CCN(CC1)[C@@H](C)[*:1]
CCCNC(=O)[C@H](C)N1CCN(CC(=O)NC(C)C)CC1 CC(C)NC(=O)[*:1] CCCNC(=O)[C@H](C)N1CCN(CC1)C[*:1]
CCCNC(=O)[C@H](C)N1CCN(CC(=O)NC(C)C)CC1 CC(C)[*:1] CCCNC(=O)[C@H](C)N1CCN(CC1)CC(=O)N[*:1]
CCCNC(=O)[C@H](C)N1CCN(CC(=O)NC(C)C)CC1 CCC[*:1] CC(C)NC(=O)CN1CCN(CC1)[C@@H](C)C(=O)N[*:1]
CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(C(=O)OC)c(F)c2)CC1 COC(=O)[*:1] CCS(=O)(=O)N(C)C1CC[NH+](CC1)Cc1ccc(c(F)c1)[*:1]
CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(C(=O)OC)c(F)c2)CC1 CCS(=O)(=O)N(C)[*:1] COC(=O)c1ccc(cc1F)C[NH+]1CCC(CC1)[*:1]
O=C([O-])[C@@H](Cc1ccccc1Br)CC(F)(F)F O=C([O-])[*:1] FC(F)(F)C[C@H](Cc1ccccc1Br)[*:1]
O=C([O-])[C@@H](Cc1ccccc1Br)CC(F)(F)F FC(F)(F)C[*:1] O=C([O-])[C@@H](Cc1ccccc1Br)[*:1]
O=C([O-])[C@@H](Cc1ccccc1Br)CC(F)(F)F FC(F)(F)[*:1] O=C([O-])[C@@H](Cc1ccccc1Br)C[*:1]
NC1=NC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Br Brc1ccccc1[*:1] NC1=NC(=O)N(Cc2ccccc2)[C@H]1[*:1]
NC1=NC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Br c1ccc(cc1)C[*:1] NC1=NC(=O)N([C@@H]1c1ccccc1Br)[*:1]
NC1=NC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Br c1ccc(cc1)[*:1] NC1=NC(=O)N(C[*:1])[C@@H]1c1ccccc1Br
CCCC(=O)NNC(=O)CNc1ccccc1 CCC[*:1] O=C(CNc1ccccc1)NNC(=O)[*:1]
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 CCC[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)NC(=O)NC[*:1]
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 CCCC[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)NC(=O)N[*:1]
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(Cl)ccc21 C#CC[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)/N=c1\sc2cc(Cl)ccc2n1[*:1]
CNC(=O)c1cccc(NCC(=O)NCc2ccco2)n1 c1coc(c1)C[*:1] CNC(=O)c1cccc(n1)NCC(=O)N[*:1]
CNC(=O)c1cccc(NCC(=O)NCc2ccco2)n1 CNC(=O)[*:1] O=C(CNc1cccc(n1)[*:1])NCc1ccco1
CNC(=O)c1cccc(NCC(=O)NCc2ccco2)n1 c1coc(c1)[*:1] CNC(=O)c1cccc(n1)NCC(=O)NC[*:1]
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 C[C@@H]1CCCCN1C(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1Cc2ccccc2O1
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 c1ccc2O[C@@H](Cc2c1)[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)[*:1]
CCSCCSCc1nc(CC)cc(=O)[nH]1 CCSCC[*:1] CCc1cc(=O)[nH]c(CS[*:1])n1
CCSCCSCc1nc(CC)cc(=O)[nH]1 CCSC[*:1] CCc1cc(=O)[nH]c(CSC[*:1])n1
CCSCCSCc1nc(CC)cc(=O)[nH]1 CCS[*:1] CCc1cc(=O)[nH]c(CSCC[*:1])n1
O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Cc1c(F)cccc1Cl)NC[*:1]
Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNc3ncccn3)cc12 Fc1ccc(cc1)[*:1] Cc1c([nH]c2ccc(cc12)CNc1ncccn1)[*:1]
Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNc3ncccn3)cc12 c1cnc(nc1)N[*:1] Cc1c([nH]c2ccc(cc12)C[*:1])-c1ccc(F)cc1
Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNc3ncccn3)cc12 c1cnc(nc1)[*:1] Cc1c([nH]c2ccc(cc12)CN[*:1])-c1ccc(F)cc1
Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNc3ncccn3)cc12 c1cnc(nc1)NC[*:1] Cc1c([nH]c2ccc(cc12)[*:1])-c1ccc(F)cc1
Cc1noc(C)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 Cc1noc(C)c1[*:1] O=C(COC(=O)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Cc1noc(C)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 Cc1noc(C)c1C(=O)O[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Cc1noc(C)c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc2cc(ccc2c1)[*:1] Cc1noc(C)c1C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
N#Cc1ccc(-c2noc(CCC(=O)c3ccc(F)cc3)n2)nc1 N#Cc1ccc(nc1)[*:1] O=C(CCc1nc(no1)[*:1])c1ccc(F)cc1
N#Cc1ccc(-c2noc(CCC(=O)c3ccc(F)cc3)n2)nc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(nc1)-c1noc(CCC(=O)[*:1])n1
CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(-c3ncco3)ccc2C)C1 c1coc(n1)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)Nc1cc(ccc1C)[*:1]
COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cccc4ccccc34)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)Nc2cccc3ccccc23)c(=O)c1S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cccc4ccccc34)c2=O)cc1 c1ccc2c(cccc2c1)[*:1] COc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)n(CC(=O)N[*:1])c1=O
COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cccc4ccccc34)c2=O)cc1 COc1ccc(cc1)S(=O)(=O)[*:1] Cc1cc(C)n(CC(=O)Nc2cccc3ccccc23)c(=O)c1[*:1]
CC[NH2+][C@H](CSc1ccccc1Cl)Cc1nccn1C Cn1ccnc1[*:1] CC[NH2+][C@H](CSc1ccccc1Cl)C[*:1]
Cc1cn2c(=O)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2s1 FC(F)(F)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)Nc1ccc(cc1)O[*:1]
Cc1cn2c(=O)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2s1 FC(F)(F)O[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@H]1CCc2nnc(C)n2C1 Fc1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)NC(=O)[C@H]1CCc2nnc(C)n2C1)[*:1]
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(Cc1ccc(Cl)cc1)NN=C[*:1]
CCn1c(CN(C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)nc2ccccc21 CS(=O)(=O)[*:1] CCn1c(CN(C)[C@@H]2CCC[C@H]2[*:1])nc2ccccc21
CCc1cccc(C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)c1O CCc1cccc(c1O)[*:1] COc1ccc(cc1NC(=O)[*:1])C(=O)N1CCCC1
CCc1cccc(C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)c1O O=C(N1CCCC1)[*:1] CCc1cccc(C(=O)Nc2cc(ccc2OC)[*:1])c1O
O=C(Nc1cc(F)ccc1-n1cccn1)C(=O)N1C[C@@H]2CC=CC[C@H]2C1 c1cnn(c1)[*:1] O=C(Nc1cc(F)ccc1[*:1])C(=O)N1C[C@@H]2CC=CC[C@H]2C1
CCOC(=O)Cc1csc(NC(=O)CN2CCOCC2)n1 CCOC(=O)C[*:1] O=C(CN1CCOCC1)Nc1nc(cs1)[*:1]
CCOC(=O)Cc1csc(NC(=O)CN2CCOCC2)n1 C1CN(CCO1)[*:1] CCOC(=O)Cc1csc(n1)NC(=O)C[*:1]
CCOC(=O)Cc1csc(NC(=O)CN2CCOCC2)n1 C1CN(CCO1)C[*:1] CCOC(=O)Cc1csc(n1)NC(=O)[*:1]
CCOC(=O)Cc1csc(NC(=O)CN2CCOCC2)n1 CCOC(=O)[*:1] O=C(CN1CCOCC1)Nc1nc(cs1)C[*:1]
O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)Nc1ccccn1 c1ccc(cc1)[*:1] O=C(CNC(=O)N1CCN(CC1)C[*:1])Nc1ccccn1
O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(CNC(=O)N1CCN(CC1)Cc1ccccc1)N[*:1]
O=C(CNC(=O)N1CCN(Cc2ccccc2)CC1)Nc1ccccn1 c1ccc(cc1)C[*:1] O=C(CNC(=O)N1CCN(CC1)[*:1])Nc1ccccn1
c1ccc(-n2ncc(CSc3nnc4n3CCCCC4)n2)cc1 c1ccc(cc1)[*:1] c1nn(nc1CSc1nnc2CCCCCn21)[*:1]
CNC(=O)c1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 CNC(=O)[*:1] O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(c1)[*:1]
CNC(=O)c1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)C(=O)N[C@H](CC(F)(F)F)[*:1]
CNC(=O)c1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 FC(F)(F)[*:1] CNC(=O)c1cccc(c1)C(=O)N[C@H](C[*:1])c1ccc(F)cc1
CNC(=O)c1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 FC(F)(F)C[*:1] CNC(=O)c1cccc(c1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C O=[N+]([O-])[*:1] C[C@H]1CC[C@@H](C[C@@H]1C)[NH2+]Cc1cc(Cl)ccc1[*:1]
C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1)[*:1]
C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1Cl C[C@H](c1ccccc1Cl)[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1Cl O=S(=O)(N1CCOCC1)[*:1] C[C@H](NC(=O)c1ccc(Cl)c(c1)[*:1])c1ccccc1Cl
Cc1cccc(C2=CCN(C(=O)c3ccc(C(=O)NC(C)C)cc3)CC2)c1 CC(C)NC(=O)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1cccc(C2=CCN(C(=O)c3ccc(C(=O)NC(C)C)cc3)CC2)c1 Cc1cccc(c1)[*:1] CC(C)NC(=O)c1ccc(cc1)C(=O)N1CC=C(CC1)[*:1]
Cc1cccc(C2=CCN(C(=O)c3ccc(C(=O)NC(C)C)cc3)CC2)c1 CC(C)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 Cc1ccccc1[*:1] N#Cc1ccc(cc1)C(=O)N1CC[C@H](C1)[*:1]
CC[C@@H](/C([O-])=N/S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](/C([O-])=N/S(=O)(=O)c1cc(Cl)sc1Cl)[*:1]
CC[C@@H](/C([O-])=N/S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 Clc1cc(c(Cl)s1)[*:1] CC[C@@H](/C([O-])=N/S(=O)(=O)[*:1])c1ccccc1
CCCC[n+]1ccccc1-n1nnc2ccccc21 CCCC[*:1] c1cc[n+](c(c1)-n1nnc2ccccc21)[*:1]
CCCC[n+]1ccccc1-n1nnc2ccccc21 CCC[*:1] c1cc[n+](C[*:1])c(c1)-n1nnc2ccccc21
COc1cc(CN(C)C(=O)c2sc(-c3ccsc3)nc2C)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])CN(C)C(=O)c1sc(nc1C)-c1ccsc1
COc1cc(CN(C)C(=O)c2sc(-c3ccsc3)nc2C)ccc1OC(F)F c1cc(cs1)[*:1] COc1cc(ccc1OC(F)F)CN(C)C(=O)c1sc(nc1C)[*:1]
COc1cc(CN(C)C(=O)c2sc(-c3ccsc3)nc2C)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])CN(C)C(=O)c1sc(nc1C)-c1ccsc1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 CC(=O)NS(=O)(=O)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 CC(C)(C)[*:1] CC(=O)NS(=O)(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CCN(C(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1)C1CC1 CCN(C(=O)[*:1])C1CC1 O=C(C(=O)N1CCN(CC1)C[*:1])N1CCCC1
CCN(C(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1)C1CC1 C1CC1[*:1] CCN(C(=O)CN1CCN(CC1)C(=O)C(=O)N1CCCC1)[*:1]
Cc1cc(-c2nnc(CN3CCC[C@H]3Cc3cccc(F)c3)o2)c(C)o1 Fc1cccc(c1)C[*:1] Cc1cc(-c2nnc(CN3CCC[C@@H]3[*:1])o2)c(C)o1
Cc1cc(-c2nnc(CN3CCC[C@H]3Cc3cccc(F)c3)o2)c(C)o1 Fc1cccc(c1)[*:1] Cc1cc(-c2nnc(CN3CCC[C@H]3C[*:1])o2)c(C)o1
Cc1cc(-c2nnc(CN3CCC[C@H]3Cc3cccc(F)c3)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] Fc1cccc(c1)C[C@@H]1CCCN1Cc1nnc(o1)[*:1]
COc1ccccc1/C=C/C(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccccc1)N2 c1ccc(cc1)[*:1] COc1ccccc1/C=C/C(=O)Nc1nc2N[C@H](C[C@H](n2n1)[*:1])c1ccccc1
COc1ccccc1/C=C/C(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccccc1)N2 COc1ccccc1[*:1] O=C(C=C[*:1])Nc1nc2N[C@H](C[C@H](c3ccccc3)n2n1)c1ccccc1
COc1ccccc1/C=C/C(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccccc1)N2 c1ccc(cc1)[*:1] COc1ccccc1/C=C/C(=O)Nc1nc2N[C@@H](C[C@H](c3ccccc3)n2n1)[*:1]
COc1ccccc1/C=C/C(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccccc1)N2 COc1ccccc1C=C[*:1] O=C(Nc1nc2N[C@H](C[C@H](c3ccccc3)n2n1)c1ccccc1)[*:1]
CC(C)C[C@H](C(=O)NCc1ccc(F)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O Fc1ccc(cc1)[*:1] CC(C)C[C@H](C(=O)NC[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CC(C)C[C@H](C(=O)NCc1ccc(F)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)C[*:1] O=C(NCc1ccc(F)cc1)[C@H](N1C(=O)[C@H]2CC=CC[C@H]2C1=O)[*:1]
CC(C)C[C@H](C(=O)NCc1ccc(F)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)[*:1] O=C(NCc1ccc(F)cc1)[C@@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CC(C)C[C@H](C(=O)NCc1ccc(F)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O Fc1ccc(cc1)C[*:1] CC(C)C[C@H](C(=O)N[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(C)c(C)c1)[NH+]1CCCC1 COc1ccccc1[*:1] Cc1ccc(cc1C)S(=O)(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(C)c(C)c1)[NH+]1CCCC1 Cc1ccc(cc1C)[*:1] COc1ccccc1[C@@H](CNS(=O)(=O)[*:1])[NH+]1CCCC1
CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc([NH+](CC)C(C)C)cc2)C1 CCNC(=O)[*:1] CC[NH+](c1ccc(cc1)NC(=O)C(=O)N1CC(C1)[*:1])C(C)C
CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc([NH+](CC)C(C)C)cc2)C1 CC(C)[*:1] CCNC(=O)C1CN(C1)C(=O)C(=O)Nc1ccc(cc1)[NH+](CC)[*:1]
CC(C)[C@H](NC(=O)CCC1=c2ccccc2=[NH+]C1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NC(=O)CCC1C[NH+]=c2ccccc2=1)[*:1]
CC(C)[C@H](NC(=O)CCC1=c2ccccc2=[NH+]C1)C(=O)[O-] CC(C)[C@H](C(=O)[O-])[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N[*:1]
CC(C)[C@H](NC(=O)CCC1=c2ccccc2=[NH+]C1)C(=O)[O-] CC(C)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N[C@H](C(=O)[O-])[*:1]
CC[NH+]1CCC(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 FC(F)(F)[*:1] CC[NH+]1CCC(CC1)NC(=O)C1CCN(CC1)c1ncc(cc1Cl)[*:1]
CCC(CC)NC(=O)[C@@H](C)N1CCO[C@H](C(N)=S)C1 CCC(CC)[*:1] C[C@H](C(=O)N[*:1])N1CCO[C@@H](C1)C(N)=S
CCC(CC)NC(=O)[C@@H](C)N1CCO[C@H](C(N)=S)C1 NC(=S)[*:1] CCC(CC)NC(=O)[C@@H](C)N1CCO[C@H](C1)[*:1]
Cc1cc(C)c2nc(N3CCC(C(=O)NCCCOC(C)C)CC3)sc2c1 CC(C)OCC[*:1] Cc1cc(C)c2nc(sc2c1)N1CCC(CC1)C(=O)NC[*:1]
Cc1cc(C)c2nc(N3CCC(C(=O)NCCCOC(C)C)CC3)sc2c1 CC(C)[*:1] Cc1cc(C)c2nc(sc2c1)N1CCC(CC1)C(=O)NCCCO[*:1]
Cc1cc(C)c2nc(N3CCC(C(=O)NCCCOC(C)C)CC3)sc2c1 CC(C)OC[*:1] Cc1cc(C)c2nc(sc2c1)N1CCC(CC1)C(=O)NCC[*:1]
Cc1cc(C)c2nc(N3CCC(C(=O)NCCCOC(C)C)CC3)sc2c1 CC(C)O[*:1] Cc1cc(C)c2nc(sc2c1)N1CCC(CC1)C(=O)NCCC[*:1]
Cc1cc(C)c2nc(N3CCC(C(=O)NCCCOC(C)C)CC3)sc2c1 CC(C)OCCC[*:1] Cc1cc(C)c2nc(sc2c1)N1CCC(CC1)C(=O)N[*:1]
COCCNC(=O)C(=O)NCc1ccccn1 COC[*:1] O=C(NCc1ccccn1)C(=O)NC[*:1]
COCCNC(=O)C(=O)NCc1ccccn1 COCC[*:1] O=C(NCc1ccccn1)C(=O)N[*:1]
O=S(=O)(C1CC1)N1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 C1CCC(CC1)[*:1] O=S(=O)(C1CC1)N1CCC(CC1)NC1CC[NH+](CC1)[*:1]
O=S(=O)(C1CC1)N1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 C1CC1[*:1] O=S(=O)(N1CCC(CC1)NC1CC[NH+](CC1)C1CCCCC1)[*:1]
CC(C)[C@@H](C)NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 CC(C)[*:1] C[C@@H](NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)[*:1]
CC(C)[C@@H](C)NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 CC(C)[C@@H](C)[*:1] O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)N[*:1]
CCCC(=O)c1ccn(CC(=O)N[C@H](C)C(C)C)c1 CCC[*:1] CC(C)[C@@H](C)NC(=O)Cn1ccc(c1)C(=O)[*:1]
CCCC(=O)c1ccn(CC(=O)N[C@H](C)C(C)C)c1 CC(C)[*:1] CCCC(=O)c1ccn(c1)CC(=O)N[C@H](C)[*:1]
CCCC(=O)c1ccn(CC(=O)N[C@H](C)C(C)C)c1 CCCC(=O)[*:1] CC(C)[C@@H](C)NC(=O)Cn1ccc(c1)[*:1]
CCCC(=O)c1ccn(CC(=O)N[C@H](C)C(C)C)c1 CC(C)[C@@H](C)[*:1] CCCC(=O)c1ccn(c1)CC(=O)N[*:1]
CC1(C[NH2+]Cc2cc(Cl)c3c(c2)OCO3)COC1 CC1(COC1)[*:1] Clc1cc(cc2OCOc12)C[NH2+]C[*:1]
CC1(C[NH2+]Cc2cc(Cl)c3c(c2)OCO3)COC1 CC1(COC1)C[*:1] Clc1cc(cc2OCOc12)C[NH2+][*:1]
COC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(N)=O)C1 NC(=O)[*:1] COC(=O)N1CCc2c(C1)sc(NC(=O)c1ccc(C)c(C)c1)c2[*:1]
COC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(N)=O)C1 Cc1ccc(cc1C)[*:1] COC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
CC[C@@H](CCO)C[NH2+]Cc1c(C)noc1C OCC[*:1] CC[C@@H](C[NH2+]Cc1c(C)noc1C)[*:1]
Cc1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)nc1 Cc1ccc(nc1)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)[NH2+]C[*:1]
Cc1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)nc1 CC(C)(C)[*:1] Cc1ccc(C[NH2+]C2CCC(CC2)C(=O)O[*:1])nc1
Cc1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)nc1 CC(C)(C)OC(=O)[*:1] Cc1ccc(C[NH2+]C2CCC(CC2)[*:1])nc1
CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccn(n1)[*:1]
CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 CC(=O)N[*:1] O=C(Nc1cc(Br)ccc1[*:1])c1ccn(n1)-c1ccc(F)cc1
CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2cccnc12 O=[N+]([O-])[*:1] CCN(Cc1ccccc1[*:1])C(=O)Nc1cccc2cccnc12
N#Cc1cccc(-c2ccnc(C(=O)[O-])c2)c1F O=C([O-])[*:1] N#Cc1cccc(-c2ccnc(c2)[*:1])c1F
O=C(c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1)N1CCCC1 O=C(N1CCCC1)[*:1] Fc1ccc(cc1)COc1nn(cc1[*:1])Cc1ccc(F)cc1
O=C(c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1)N1CCCC1 Fc1ccc(cc1)C[*:1] O=C(c1cn(nc1OCc1ccc(F)cc1)[*:1])N1CCCC1
O=C(c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(c1cn(Cc2ccc(F)cc2)nc1OC[*:1])N1CCCC1
O=C(c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1)N1CCCC1 Fc1ccc(cc1)CO[*:1] O=C(c1cn(Cc2ccc(F)cc2)nc1[*:1])N1CCCC1
O=C(c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(c1cn(C[*:1])nc1OCc1ccc(F)cc1)N1CCCC1
O=C(c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1)N1CCCC1 Fc1ccc(cc1)C[*:1] O=C(c1cn(Cc2ccc(F)cc2)nc1O[*:1])N1CCCC1
COc1cccc(C(=O)NCC2([O-])CCC2)n1 [O-]C1(CCC1)[*:1] COc1cccc(n1)C(=O)NC[*:1]
COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)[C@@H]3C=C[C@H]([C@@H]4C=CN=N4)O3)C2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)[C@@H]1C=C[C@@H](O1)[C@@H]1C=CN=N1
COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)[C@@H]3C=C[C@H]([C@@H]4C=CN=N4)O3)C2)c1 COc1cccc(c1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)[C@@H]1C=C[C@@H](O1)[C@@H]1C=CN=N1
CS(=O)(=O)N1CCN(c2ccc(OC(F)F)cn2)CC1 FC(F)O[*:1] CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)[*:1]
CS(=O)(=O)N1CCN(c2ccc(OC(F)F)cn2)CC1 FC(F)[*:1] CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)O[*:1]
CCOCCN(C)C(=O)c1cnc2ccc(C)cn12 CCO[*:1] Cc1ccc2ncc(C(=O)N(C)CC[*:1])n2c1
CCOCCN(C)C(=O)c1cnc2ccc(C)cn12 CCOC[*:1] Cc1ccc2ncc(C(=O)N(C)C[*:1])n2c1
CCOCCN(C)C(=O)c1cnc2ccc(C)cn12 CCOCC[*:1] Cc1ccc2ncc(C(=O)N(C)[*:1])n2c1
CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1cccs1 Fc1ccc(cc1)[*:1] CCn1c(nnc1-c1cccs1)SCC(=O)N1CCN(CC1)[*:1]
CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N1CCN(CC1)c1ccc(F)cc1
COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2scc4c2CCCC4)O3)nn1 c1sc(c2CCCCc12)[*:1] COc1ccc(nn1)-c1ccc2O[C@@H](CNC(=O)[*:1])Cc2c1
COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2scc4c2CCCC4)O3)nn1 COc1ccc(nn1)[*:1] O=C(NC[C@H]1Cc2cc(ccc2O1)[*:1])c1scc2CCCCc21
C[C@@H](NC(=O)N(CCC(N)=O)Cc1ccccc1)C1CCCCC1 NC(=O)[*:1] C[C@@H](NC(=O)N(CC[*:1])Cc1ccccc1)C1CCCCC1
C[C@@H](NC(=O)N(CCC(N)=O)Cc1ccccc1)C1CCCCC1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)N(CCC(N)=O)[*:1])C1CCCCC1
C[C@@H](NC(=O)N(CCC(N)=O)Cc1ccccc1)C1CCCCC1 NC(=O)CC[*:1] C[C@@H](NC(=O)N(Cc1ccccc1)[*:1])C1CCCCC1
C[C@@H](NC(=O)N(CCC(N)=O)Cc1ccccc1)C1CCCCC1 NC(=O)C[*:1] C[C@@H](NC(=O)N(Cc1ccccc1)C[*:1])C1CCCCC1
C[C@@H](NC(=O)N(CCC(N)=O)Cc1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N(CCC(N)=O)C[*:1])C1CCCCC1
C[C@@H](NC(=O)N(CCC(N)=O)Cc1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)N(CCC(N)=O)Cc1ccccc1)[*:1]
O=C(c1cccs1)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] O=C(c1cccs1)N1CCN(CC1)[*:1]
O=C(c1cccs1)N1CCN(c2cnccn2)CC1 c1csc(c1)[*:1] O=C(N1CCN(CC1)c1cnccn1)[*:1]
Cc1ccc(C(=O)N(c2ccc(C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N([C@@H]1C=CS(=O)(=O)C1)[*:1]
Cc1ccc(C(=O)N(c2ccc(C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N(C(=O)[*:1])[C@@H]1C=CS(=O)(=O)C1
O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccncc12 O=[N+]([O-])[*:1] c1cc2c(ccc(c2cn1)[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1N CC(C)(C)[*:1] COc1ccc(cc1N)S(=O)(=O)N[*:1]
Cc1noc(C)c1C[NH2+]Cc1cc[nH]c1 c1cc(c[nH]1)[*:1] Cc1noc(C)c1C[NH2+]C[*:1]
CCOc1ccc(-c2nc(C)c(C(=O)N(C)C(C)C)s2)cc1 CC(C)N(C)C(=O)[*:1] CCOc1ccc(cc1)-c1nc(C)c(s1)[*:1]
CCOc1ccc(-c2nc(C)c(C(=O)N(C)C(C)C)s2)cc1 CCO[*:1] Cc1nc(sc1C(=O)N(C)C(C)C)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(C)c(C(=O)N(C)C(C)C)s2)cc1 CC(C)[*:1] CCOc1ccc(cc1)-c1nc(C)c(s1)C(=O)N(C)[*:1]
Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H](O)COc3ccccc3)CC2=O)c1 Cc1cccc(c1)[*:1] O=C1C[C@@H](CN1[*:1])c1nc2ccccc2n1C[C@@H](O)COc1ccccc1
Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H](O)COc3ccccc3)CC2=O)c1 O[C@@H](COc1ccccc1)[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H](O)COc3ccccc3)CC2=O)c1 O[C@@H](COc1ccccc1)C[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H](O)COc3ccccc3)CC2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[C@@H](O)CO[*:1]
Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H](O)COc3ccccc3)CC2=O)c1 c1ccc(cc1)O[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[C@@H](O)C[*:1]
Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H](O)COc3ccccc3)CC2=O)c1 c1ccc(cc1)OC[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[C@@H](O)[*:1]
C[C@H]1CCC[C@H](C[NH2+]CCNS(=O)(=O)c2cccs2)C1 c1csc(c1)[*:1] C[C@H]1CCC[C@H](C[NH2+]CCNS(=O)(=O)[*:1])C1
COc1cccc(-c2noc(CSCc3noc(C)n3)n2)c1 Cc1nc(no1)[*:1] COc1cccc(c1)-c1noc(CSC[*:1])n1
COc1cccc(-c2noc(CSCc3noc(C)n3)n2)c1 Cc1nc(C[*:1])no1 COc1cccc(c1)-c1noc(CS[*:1])n1
O=C=N[C@@H]1CCCN(C(=O)C(F)(F)F)C1 FC(F)(F)[*:1] O=C=N[C@@H]1CCCN(C1)C(=O)[*:1]
O=C=N[C@@H]1CCCN(C(=O)C(F)(F)F)C1 O=C=N[*:1] O=C(N1CCC[C@H](C1)[*:1])C(F)(F)F
C[C@@H]1CN(c2ccccc2C#CCO)S(=O)(=O)C1 OCC#C[*:1] C[C@@H]1CN(c2ccccc2[*:1])S(=O)(=O)C1
C=CCn1c(=O)c2c(nc3n2CCN3c2ccc(CC)cc2)n(C)c1=O C=CC[*:1] CCc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
C=CCn1c(=O)c2c(nc3n2CCN3c2ccc(CC)cc2)n(C)c1=O CCc1ccc(cc1)[*:1] C=CCn1c(=O)c2c(nc3N(CCn32)[*:1])n(C)c1=O
COc1ccccc1NC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccccc1NC(=O)C1CC[NH+](CC1)CC[*:1]
COc1ccccc1NC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] COc1ccccc1NC(=O)C1CC[NH+](CCc2ccc(cc2)[*:1])CC1
COc1ccccc1NC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 COc1ccccc1[*:1] O=C(N[*:1])C1CC[NH+](CCc2ccc(cc2)[N+](=O)[O-])CC1
CCNS(=O)(=O)c1cccc(C(=O)NCC(C)C)c1 CC(C)C[*:1] CCNS(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CCNS(=O)(=O)c1cccc(C(=O)NCC(C)C)c1 CCNS(=O)(=O)[*:1] CC(C)CNC(=O)c1cccc(c1)[*:1]
CCNS(=O)(=O)c1cccc(C(=O)NCC(C)C)c1 CC(C)[*:1] CCNS(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
Cc1nc(-c2cccc(F)c2)sc1C(=O)NCC1CCC(C(=O)[O-])CC1 Fc1cccc(c1)[*:1] Cc1nc(sc1C(=O)NCC1CCC(CC1)C(=O)[O-])[*:1]
Cc1nc(-c2cccc(F)c2)sc1C(=O)NCC1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] Cc1nc(sc1C(=O)NCC1CCC(CC1)[*:1])-c1cccc(F)c1
O=C(NC[C@H]1COC2(CCCCC2)O1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NC[C@H]1COC2(CCCCC2)O1)[*:1]
CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N1Cc2ccccc2C1=O CC[C@@H](C)[*:1] CC(C)c1ccc(cc1)NC(=O)[C@@H](N1Cc2ccccc2C1=O)[*:1]
CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N1Cc2ccccc2C1=O CC(C)[*:1] CC[C@@H](C)[C@@H](C(=O)Nc1ccc(cc1)[*:1])N1Cc2ccccc2C1=O
CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N1Cc2ccccc2C1=O CC(C)c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](C(=O)N[*:1])N1Cc2ccccc2C1=O
CCC[C@@]1(c2nnc3cc(C)nc(C)n23)CCC[NH2+]C1 CCC[*:1] Cc1cc2nnc(n2c(C)n1)[C@]1(CCC[NH2+]C1)[*:1]
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1 FC(F)(F)[*:1] O=C(NCC#Cc1cccc(c1)[*:1])NNC(=O)c1ccccc1
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC#Cc1cccc(c1)C(F)(F)F)NNC(=O)[*:1]
COc1ccsc1C(=O)NC[C@H](O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] COc1ccsc1C(=O)NC[C@H](O)[*:1]
Cn1nc(C2CC[NH+](Cc3ccncc3)CC2)n(C2CCCC2)c1=O c1cc(ccn1)[*:1] Cn1nc(C2CC[NH+](CC2)C[*:1])n(c1=O)C1CCCC1
Cn1nc(C2CC[NH+](Cc3ccncc3)CC2)n(C2CCCC2)c1=O c1cc(ccn1)C[*:1] Cn1nc(C2CC[NH+](CC2)[*:1])n(c1=O)C1CCCC1
Cn1nc(C2CC[NH+](Cc3ccncc3)CC2)n(C2CCCC2)c1=O C1CCC(C1)[*:1] Cn1nc(C2CC[NH+](CC2)Cc2ccncc2)n(c1=O)[*:1]
O=C1C[C@@H]([NH2+]Cc2cccnc2)C(=O)N1c1ccc(Cl)cc1 c1cncc(c1)[*:1] O=C1C[C@@H]([NH2+]C[*:1])C(=O)N1c1ccc(Cl)cc1
O=C1C[C@@H]([NH2+]Cc2cccnc2)C(=O)N1c1ccc(Cl)cc1 c1cncc(c1)C[*:1] O=C1C[C@@H]([NH2+][*:1])C(=O)N1c1ccc(Cl)cc1
O=C1C[C@@H]([NH2+]Cc2cccnc2)C(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C[C@@H]([NH2+]Cc2cccnc2)C(=O)N1[*:1]
COC(=O)c1ccc(N/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)N/C=C1/N=C(OC1=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(N/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 COC(=O)[*:1] O=C1OC(=N/C1=C/Nc1ccc(cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
COC(=O)c1ccc(N/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)N/C=C1/N=C(OC1=O)[*:1]
C[C@H]1CCC[C@@H](NC(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[C@H]1C C[C@H]1CCC[C@@H]([C@H]1C)[*:1] C[C@H]1CCC[C@@H](NC(=O)CCC(=O)N[*:1])[C@@H]1C
CCC[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CCO1 FC(F)(F)[*:1] CCC[C@@H]1CN(CCO1)C(=O)Cn1cc(ccc1=O)[*:1]
CCC[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CCO1 CCC[*:1] O=C(Cn1cc(ccc1=O)C(F)(F)F)N1CCO[C@@H](C1)[*:1]
Cc1ccc2cccc(C(=O)NCCc3ccc(-n4cccn4)cc3)c2n1 c1cnn(c1)[*:1] Cc1ccc2cccc(C(=O)NCCc3ccc(cc3)[*:1])c2n1
O=C(Nc1ccc(F)cc1OCC(F)F)NC1CCCC1 FC(F)CO[*:1] O=C(Nc1ccc(F)cc1[*:1])NC1CCCC1
O=C(Nc1ccc(F)cc1OCC(F)F)NC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)N[*:1]
O=C(Nc1ccc(F)cc1OCC(F)F)NC1CCCC1 FC(F)[*:1] O=C(Nc1ccc(F)cc1OC[*:1])NC1CCCC1
O=C(Nc1ccc(F)cc1OCC(F)F)NC1CCCC1 FC(F)C[*:1] O=C(Nc1ccc(F)cc1O[*:1])NC1CCCC1
Cc1nc(NC(=O)c2ccccc2Cl)sc1Cc1ccccc1 Clc1ccccc1[*:1] Cc1nc(NC(=O)[*:1])sc1Cc1ccccc1
Cc1nc(NC(=O)c2ccccc2Cl)sc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(NC(=O)c2ccccc2Cl)sc1C[*:1]
Cc1nc(NC(=O)c2ccccc2Cl)sc1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(NC(=O)c2ccccc2Cl)sc1[*:1]
CCn1c(C2CCN(C(=O)C[C@@H]3C(=O)Nc4c(C)cccc43)CC2)n[nH]c1=O CCn1c(n[nH]c1=O)[*:1] Cc1cccc2c1NC(=O)[C@H]2CC(=O)N1CCC(CC1)[*:1]
COCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(SC)cc1 COCC[*:1] CSc1ccc(cc1)[C@@H]1c2c(oc3c(C)cc(C)cc3c2=O)C(=O)N1[*:1]
COCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(SC)cc1 CSc1ccc(cc1)[*:1] COCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1[*:1]
COCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(SC)cc1 COC[*:1] CSc1ccc(cc1)[C@@H]1c2c(oc3c(C)cc(C)cc3c2=O)C(=O)N1C[*:1]
O=C(NCC(F)(F)F)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCC(F)(F)F)N1CCCN(CC1)S(=O)(=O)[*:1]
O=C(NCC(F)(F)F)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 FC(F)(F)[*:1] O=C(NC[*:1])N1CCCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(NCC(F)(F)F)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 FC(F)(F)C[*:1] O=C(N[*:1])N1CCCN(CC1)S(=O)(=O)c1ccc(F)cc1
CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)CC2=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)CC2=O)cc1 CC(=O)N[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CC[NH+]1CCN([C@H](C)CNC(=O)/C=C/c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)[C@H](C)CNC(=O)C=C[*:1]
COCC(=O)N1CCN(C(=O)N[C@@H](c2nccs2)C2CC2)CC1 c1csc(n1)[*:1] COCC(=O)N1CCN(CC1)C(=O)N[C@@H](C1CC1)[*:1]
COCC(=O)N1CCN(C(=O)N[C@@H](c2nccs2)C2CC2)CC1 C1CC1[*:1] COCC(=O)N1CCN(CC1)C(=O)N[C@@H](c1nccs1)[*:1]
COCC(=O)N1CCN(C(=O)N[C@@H](c2nccs2)C2CC2)CC1 COC[*:1] O=C(N[C@@H](c1nccs1)C1CC1)N1CCN(CC1)C(=O)[*:1]
CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccc(OC)c1 CCS[*:1] COc1cccc(c1)[C@H]1C2C(=O)CC(C)(C)CC=2Nc2[nH]c(nc(=O)c21)[*:1]
CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccc(OC)c1 COc1cccc(c1)[*:1] CCSc1nc(=O)c2c(NC3CC(C)(C)CC(=O)C=3[C@H]2[*:1])[nH]1
CC(C)CNC(=O)NCc1nnc(C(=O)Nc2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)CNC(=O)NCc1nnc(s1)C(=O)N[*:1]
CC(C)CNC(=O)NCc1nnc(C(=O)Nc2ccccc2)s1 CC(C)[*:1] O=C(NCc1nnc(s1)C(=O)Nc1ccccc1)NC[*:1]
CC(C)CNC(=O)NCc1nnc(C(=O)Nc2ccccc2)s1 CC(C)C[*:1] O=C(NCc1nnc(s1)C(=O)Nc1ccccc1)N[*:1]
Cc1cccc(C(C)C)c1NS(=O)(=O)c1cc(F)c(F)c(F)c1 CC(C)[*:1] Cc1cccc(c1NS(=O)(=O)c1cc(F)c(F)c(F)c1)[*:1]
O=C(NCc1ccc(-n2cncn2)nc1)N1CCC[C@@H]1c1ccccc1 c1ncn(n1)[*:1] O=C(NCc1ccc(nc1)[*:1])N1CCC[C@@H]1c1ccccc1
O=C(NCc1ccc(-n2cncn2)nc1)N1CCC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(nc1)-n1cncn1)N1CCC[C@H]1[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)[*:1]
COc1ccc(OC)c2sc(N3CCN(C(=O)c4cc(Cl)cc(Cl)c4)CC3)nc12 Clc1cc(Cl)cc(c1)[*:1] COc1ccc(OC)c2sc(nc12)N1CCN(CC1)C(=O)[*:1]
CC(C)CC(C)(C)CNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl CC(C)C[*:1] CC(C)(CNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)[*:1]
CC(C)CC(C)(C)CNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl CC(C)CC(C)(C)[*:1] O=c1[nH]c2cc(Cl)c(cc2o1)S(=O)(=O)NC[*:1]
CC(C)CC(C)(C)CNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl CC(C)[*:1] CC(C)(CNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C[*:1]
Cn1ncc2c(N3CCN(CC(=O)NCc4ccc(F)cc4)CC3)ncnc21 Fc1ccc(cc1)[*:1] Cn1ncc2c(ncnc21)N1CCN(CC1)CC(=O)NC[*:1]
Cn1ncc2c(N3CCN(CC(=O)NCc4ccc(F)cc4)CC3)ncnc21 Fc1ccc(cc1)C[*:1] Cn1ncc2c(ncnc21)N1CCN(CC1)CC(=O)N[*:1]
Cc1cc(N)c(S(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1C CN1CCO[C@@H](C1)[*:1] Cc1cc(N)c(cc1C)S(=O)(=O)NC[*:1]
O=C(C[C@@H](C(=O)[O-])[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 Clc1cccc(c1)[*:1] O=C(C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1])c1ccc(F)cc1
O=C(C[C@@H](C(=O)[O-])[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C([O-])[C@H](CC(=O)[*:1])[NH+]1CCN(CC1)c1cccc(Cl)c1
O=C(C[C@@H](C(=O)[O-])[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=C([O-])[C@H](C[*:1])[NH+]1CCN(CC1)c1cccc(Cl)c1
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C)c(OCC)c2)C1 CCC[C@@H](C)NC(=O)[*:1] CCOc1cc(ccc1C)NC(=O)N1CCC[C@H](C1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C)c(OCC)c2)C1 CCC[*:1] CCOc1cc(ccc1C)NC(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C)c(OCC)c2)C1 CCO[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)Nc1ccc(C)c(c1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C)c(OCC)c2)C1 CCC[C@@H](C)[*:1] CCOc1cc(ccc1C)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
O=C(Cc1coc(-c2ccccc2)n1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1coc(n1)[*:1])Oc1ccccc1
O=C(Cc1coc(-c2ccccc2)n1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1coc(n1)-c1ccccc1)O[*:1]
C=CCOc1ccc(C=NNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 C=CC[*:1] O=S(=O)(NN=Cc1ccc(cc1)O[*:1])c1cc(Cl)ccc1Cl
C=CCOc1ccc(C=NNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 Clc1ccc(Cl)c(c1)[*:1] C=CCOc1ccc(C=NNS(=O)(=O)[*:1])cc1
C=CCOc1ccc(C=NNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 C=CCO[*:1] O=S(=O)(NN=Cc1ccc(cc1)[*:1])c1cc(Cl)ccc1Cl
CC(C)(CNC(=O)N1CCOC[C@@H]1C1CC1)c1ccc2c(c1)OCO2 C1CC1[*:1] CC(C)(CNC(=O)N1CCOC[C@H]1[*:1])c1ccc2OCOc2c1
CC1CCC(NC(=O)c2csc(S(N)(=O)=O)c2)CC1 NS(=O)(=O)[*:1] CC1CCC(CC1)NC(=O)c1csc(c1)[*:1]
CC(C)c1nsc(S(=O)(=O)[C@@H](C)CCCl)n1 ClCC[*:1] CC(C)c1nsc(n1)S(=O)(=O)[C@@H](C)[*:1]
CC(C)c1nsc(S(=O)(=O)[C@@H](C)CCCl)n1 C[C@@H](CCCl)[*:1] CC(C)c1nsc(n1)S(=O)(=O)[*:1]
CC(C)c1nsc(S(=O)(=O)[C@@H](C)CCCl)n1 CC(C)[*:1] C[C@@H](CCCl)S(=O)(=O)c1nc(ns1)[*:1]
Cc1ccc(NC(=O)CCNC(=O)c2cccc3cc[nH]c23)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(CCNC(=O)c1cccc2cc[nH]c12)N[*:1]
O=C(NCCCn1cc[nH+]c1)NNC(=O)c1ccc(-c2ccccc2F)s1 Fc1ccccc1[*:1] O=C(NCCCn1cc[nH+]c1)NNC(=O)c1ccc(s1)[*:1]
NC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1nc2ccccc2o1 NC(=O)[*:1] [NH3+][C@]1(CCC[C@H]1CCSc1nc2ccccc2o1)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCO OCCC[*:1] O=[N+]([O-])c1cc(ccc1N[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCO FC(F)(F)[*:1] O=[N+]([O-])c1cc(ccc1NCCCO)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCO OCC[*:1] O=[N+]([O-])c1cc(ccc1NC[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCO OCCCN[*:1] O=[N+]([O-])c1cc(ccc1[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCO O=[N+]([O-])[*:1] OCCCNc1ccc(cc1[*:1])C(F)(F)F
CC[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 CC[C@H](C)[*:1] COc1cc2CCN(C(=O)N[*:1])[C@H](c3ccccc3)c2cc1OC
CC[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)N1CCc2cc(OC)c(cc2[C@@H]1[*:1])OC
COc1ccc(Cl)cc1C[C@H](O)c1cscc1C Cc1cscc1[*:1] COc1ccc(Cl)cc1C[C@H](O)[*:1]
CCc1noc(C[S@](=O)CC(=O)N2CCCc3ccccc32)n1 CCc1noc(n1)[*:1] O=C(C[S@@](=O)C[*:1])N1CCCc2ccccc21
CC(C)(C)c1ccc(=O)n(C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] CC(C)(C)c1ccc(=O)n(C[C@H](O)COc2cccc(c2)[*:1])n1
CC(C)(C)c1ccc(=O)n(C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 CC(C)(C)[*:1] O=c1ccc(nn1C[C@H](O)COc1cccc(c1)[N+](=O)[O-])[*:1]
COC[C@@H](NCc1cnc(-c2ccc3ccccc3c2)nc1)c1ccnn1C COC[*:1] Cn1nccc1[C@H](NCc1cnc(nc1)-c1ccc2ccccc2c1)[*:1]
COC[C@@H](NCc1cnc(-c2ccc3ccccc3c2)nc1)c1ccnn1C Cn1nccc1[*:1] COC[C@@H](NCc1cnc(nc1)-c1ccc2ccccc2c1)[*:1]
COc1cc(NC(=O)c2ccccc2SCC#N)cc(OC)c1 N#CCS[*:1] COc1cc(cc(c1)OC)NC(=O)c1ccccc1[*:1]
COc1cc(NC(=O)c2ccccc2SCC#N)cc(OC)c1 N#CC[*:1] COc1cc(cc(c1)OC)NC(=O)c1ccccc1S[*:1]
Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2cccs2)CC1 c1csc(c1)CC[*:1] Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2cccs2)CC1 c1csc(c1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2cccs2)CC1 O=C(NCCc1cccs1)[*:1] Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(CC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2cccs2)CC1 c1csc(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2cccs2)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)NCCc1cccs1)[*:1]
COc1ccc(-c2csc(CN3CCOC3=O)n2)cc1 O=C1OCCN1[*:1] COc1ccc(cc1)-c1csc(C[*:1])n1
C[C@H](c1cccs1)N(C)Cc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@H](c1cccs1)N(C)Cc1ccc(cc1)[*:1]
C[C@H](c1cccs1)N(C)Cc1ccc(C(N)=O)cc1 c1csc(c1)[*:1] C[C@H](N(C)Cc1ccc(cc1)C(N)=O)[*:1]
C[NH2+][C@@H](CSc1ccc(Cl)cc1)C1CC1 C1CC1[*:1] C[NH2+][C@@H](CSc1ccc(Cl)cc1)[*:1]
CC[C@H](C)[C@@](C)(O)[C@@H]1CCOC2(CCCCC2)C1 CC[C@H](C)[*:1] C[C@@](O)([C@@H]1CCOC2(CCCCC2)C1)[*:1]
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C(C)=O)cc4)c3N2)cc1OC COc1ccc(cc1OC)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)[*:1]
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C(C)=O)cc4)c3N2)cc1OC CC(=O)[*:1] COc1ccc(cc1OC)[C@H]1C[C@H](n2ncc(C(=O)Nc3ccc(cc3)[*:1])c2N1)C(F)(F)F
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C(C)=O)cc4)c3N2)cc1OC CC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1C[C@H](n2ncc(C(=O)N[*:1])c2N1)C(F)(F)F
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C(C)=O)cc4)c3N2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)[C@H]1C[C@@H](n2ncc(C(=O)Nc3ccc(cc3)C(C)=O)c2N1)[*:1]
CC1(C)CCSC[C@]1(Nc1ccccc1Br)C(=O)[O-] O=C([O-])[*:1] CC1(C)CCSC[C@@]1(Nc1ccccc1Br)[*:1]
CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@@H]1c2ccsc2CCN1S(=O)(=O)[*:1]
CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 Cc1cccc(c1)[*:1] CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 CCC[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)N[C@H](C)C(=O)N[*:1]
CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 CCCNC(=O)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)N[C@H](C)[*:1]
CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 CCCNC(=O)[C@@H](C)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COc1ccc(CNC(=O)C2(c3ccccc3)CC2)c(OC)c1OC c1ccc(cc1)[*:1] COc1ccc(CNC(=O)C2(CC2)[*:1])c(OC)c1OC
CN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)C(=O)N1CCCCC1
CN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] CN(Cc1ccccc1F)C(=O)Nc1cccc(c1)[*:1]
CN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 Fc1ccccc1C[*:1] CN(C(=O)Nc1cccc(c1)C(=O)N1CCCCC1)[*:1]
C[C@@H](NC(=O)c1cccs1)C(C)(C)C CC(C)(C)[*:1] C[C@@H](NC(=O)c1cccs1)[*:1]
CCO[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 FC(F)(F)[*:1] CCO[C@@H](C)C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
CCO[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 CCO[*:1] C[C@@H](C(=O)N1CCC[C@@H](C1)C(=O)NCC(F)(F)F)[*:1]
CCO[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 CCO[C@@H](C)[*:1] O=C(NCC(F)(F)F)[C@H]1CCCN(C1)C(=O)[*:1]
CCO[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 FC(F)(F)C[*:1] CCO[C@@H](C)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COc1ccc2c(CN3CCO[C@@H](c4ccc(Cl)cc4)C3)n[nH]c2c1 Clc1ccc(cc1)[*:1] COc1ccc2c(CN3CCO[C@@H](C3)[*:1])n[nH]c2c1
CNC(=O)[C@@H](C)CN(C)C(=O)c1cccc(-n2ccnc2SC)c1 CNC(=O)[*:1] CSc1nccn1-c1cccc(c1)C(=O)N(C)C[C@H](C)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1cccc(-n2ccnc2SC)c1 CSc1nccn1[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)c1cccc(c1)[*:1]
Cc1cn2c(=O)cc(CSc3ccccc3C(=O)[O-])nc2s1 O=C([O-])[*:1] Cc1cn2c(=O)cc(CSc3ccccc3[*:1])nc2s1
CS(=O)(=O)CCOc1ccc(Cl)cc1NC1CCSCC1 CS(=O)(=O)C[*:1] Clc1ccc(OC[*:1])c(c1)NC1CCSCC1
CS(=O)(=O)CCOc1ccc(Cl)cc1NC1CCSCC1 C1CC(CCS1)N[*:1] CS(=O)(=O)CCOc1ccc(Cl)cc1[*:1]
CS(=O)(=O)CCOc1ccc(Cl)cc1NC1CCSCC1 CS(=O)(=O)CCO[*:1] Clc1ccc(c(c1)NC1CCSCC1)[*:1]
CS(=O)(=O)CCOc1ccc(Cl)cc1NC1CCSCC1 CS(=O)(=O)CC[*:1] Clc1ccc(O[*:1])c(c1)NC1CCSCC1
CS(=O)(=O)CCOc1ccc(Cl)cc1NC1CCSCC1 CS(=O)(=O)[*:1] Clc1ccc(OCC[*:1])c(c1)NC1CCSCC1
CS(=O)(=O)CCOc1ccc(Cl)cc1NC1CCSCC1 C1CC(CCS1)[*:1] CS(=O)(=O)CCOc1ccc(Cl)cc1N[*:1]
CCCC[C@@](CC)(C[NH3+])Cc1ccc(O)cc1 CCCC[*:1] CC[C@@](C[NH3+])(Cc1ccc(O)cc1)[*:1]
CCCC[C@@](CC)(C[NH3+])Cc1ccc(O)cc1 CCC[*:1] CC[C@](C[NH3+])(Cc1ccc(O)cc1)C[*:1]
CCCN1CCO[C@@H](C(=O)c2cccc3ccccc23)C1 CCC[*:1] O=C(c1cccc2ccccc12)[C@H]1CN(CCO1)[*:1]
Cc1cc(C)c(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)c(C)c1 C1CC(CCO1)[*:1] Cc1cc(C)c(NC(=O)C(=O)NC[C@H](O)[*:1])c(C)c1
O=C1OC(c2ccccc2)=N/C1=C/c1ccc(S(=O)(=O)C(F)F)cc1 c1ccc(cc1)[*:1] O=C1OC(=N/C1=C/c1ccc(cc1)S(=O)(=O)C(F)F)[*:1]
O=C1OC(c2ccccc2)=N/C1=C/c1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] O=C1OC(=N/C1=C/c1ccc(cc1)[*:1])c1ccccc1
O=C1OC(c2ccccc2)=N/C1=C/c1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] O=C1OC(=N/C1=C/c1ccc(cc1)S(=O)(=O)[*:1])c1ccccc1
O=c1c(Cl)c(NC[C@H](O)c2ccc(F)cc2F)cnn1-c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=c1c(Cl)c(cnn1-c1ccc(F)cc1F)NC[C@H](O)[*:1]
O=c1c(Cl)c(NC[C@H](O)c2ccc(F)cc2F)cnn1-c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=c1c(Cl)c(cnn1[*:1])NC[C@H](O)c1ccc(F)cc1F
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=S)NCCc1ccccn1)C2 c1ccc(C[*:1])nc1 Cc1cc2C[C@H](Oc2cc1C)C(=O)NNC(=S)NC[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=S)NCCc1ccccn1)C2 c1ccc(CC[*:1])nc1 Cc1cc2C[C@H](Oc2cc1C)C(=O)NNC(=S)N[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)NNC(=S)NCCc1ccccn1)C2 c1ccc(nc1)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)NNC(=S)NCC[*:1]
CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 CCOC(=O)C[*:1] Clc1ccc(cc1)-c1nnc(o1)S[*:1]
CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 CCOC(=O)[*:1] Clc1ccc(cc1)-c1nnc(o1)SC[*:1]
CC(C)(CO)CCCNC(=O)c1c(O)cccc1O CC(C)(CO)C[*:1] O=C(NCC[*:1])c1c(O)cccc1O
CC(C)(CO)CCCNC(=O)c1c(O)cccc1O CC(C)(CO)[*:1] O=C(NCCC[*:1])c1c(O)cccc1O
CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1C Fc1cccc(Cl)c1[*:1] CC(=O)c1c(C)[nH]c(C(=O)NC[C@H]([NH+]2CCCC2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(C)c1[*:1]
CC[C@H](CCO)CNC(=O)/C=C/c1ccc(C)o1 OCC[*:1] CC[C@H](CNC(=O)/C=C/c1ccc(C)o1)[*:1]
CC[C@H](CCO)CNC(=O)/C=C/c1ccc(C)o1 Cc1ccc(o1)[*:1] CC[C@H](CCO)CNC(=O)C=C[*:1]
CC[C@H](CCO)CNC(=O)/C=C/c1ccc(C)o1 CC[C@H](CCO)[*:1] Cc1ccc(/C=C/C(=O)NC[*:1])o1
CC(C)c1ccc(S(=O)(=O)c2cnc(N3CC[NH+](C4CCCCC4)CC3)nc2N)cc1 CC(C)[*:1] Nc1nc(ncc1S(=O)(=O)c1ccc(cc1)[*:1])N1CC[NH+](CC1)C1CCCCC1
CC(C)c1ccc(S(=O)(=O)c2cnc(N3CC[NH+](C4CCCCC4)CC3)nc2N)cc1 CC(C)c1ccc(cc1)[*:1] Nc1nc(ncc1S(=O)(=O)[*:1])N1CC[NH+](CC1)C1CCCCC1
O=C([O-])[C@@H](F)[C@H]1CCCc2cccnc21 O=C([O-])[*:1] F[C@@H]([C@H]1CCCc2cccnc21)[*:1]
C=CCNC(=O)[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 C=CCNC(=O)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)c1ccc(Cl)cc1)[*:1]
C=CCNC(=O)[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 C=CC[*:1] C[C@@H]([NH2+]CC1(CCOCC1)c1ccc(Cl)cc1)C(=O)N[*:1]
C=CCNC(=O)[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 Clc1ccc(cc1)[*:1] C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCOCC1)[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 CC(C)(C)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)[C@@H]1CCN(C1)C(=O)O[*:1]
COCCN1C(N)=[NH+]CC12Cc1ccccc1C2 COCC[*:1] NC1=[NH+]CC2(Cc3ccccc3C2)N1[*:1]
COCCN1C(N)=[NH+]CC12Cc1ccccc1C2 COC[*:1] NC1=[NH+]CC2(Cc3ccccc3C2)N1C[*:1]
CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1F)C2 Fc1ccccc1[*:1] CCn1nc(C(=O)N2CCCCC2)c2C[C@@H](CCc21)[NH2+]CC[*:1]
CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1F)C2 Fc1ccccc1C[*:1] CCn1nc(C(=O)N2CCCCC2)c2C[C@@H](CCc21)[NH2+]C[*:1]
CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1F)C2 O=C(N1CCCCC1)[*:1] CCn1nc(c2C[C@@H](CCc21)[NH2+]CCc1ccccc1F)[*:1]
CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1F)C2 Fc1ccccc1CC[*:1] CCn1nc(C(=O)N2CCCCC2)c2C[C@@H](CCc21)[NH2+][*:1]
Cc1ccc([C@H](OC[C@@H](O)Cn2nc(C)nc2C)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(C)n(C[C@H](O)CO[C@H](c2ccccc2)[*:1])n1
Cc1ccc([C@H](OC[C@@H](O)Cn2nc(C)nc2C)c2ccccc2)cc1 Cc1nc(C)n(C[*:1])n1 Cc1ccc(cc1)[C@H](OC[C@@H](O)[*:1])c1ccccc1
Cc1ccc([C@H](OC[C@@H](O)Cn2nc(C)nc2C)c2ccccc2)cc1 Cc1nc(C)n(n1)[*:1] Cc1ccc(cc1)[C@H](OC[C@@H](O)C[*:1])c1ccccc1
Cc1ccc([C@H](OC[C@@H](O)Cn2nc(C)nc2C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](OC[C@@H](O)Cn1nc(C)nc1C)[*:1]
Cn1c(CNC(=O)c2ccc(Br)cc2)nc2ccccc21 Brc1ccc(cc1)[*:1] Cn1c(CNC(=O)[*:1])nc2ccccc21
COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)cc4)ccn3n2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1cc2c(=O)n(ccn2n1)CC(=O)NC[*:1]
COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)cc4)ccn3n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)CNC(=O)Cn1ccn2nc(cc2c1=O)[*:1]
COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)cc4)ccn3n2)cc1OC Cc1ccc(cc1)C[*:1] COc1ccc(cc1OC)-c1cc2c(=O)n(ccn2n1)CC(=O)N[*:1]
Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)NCc2ccccc2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)C(=O)NC(=C[*:1])C(=O)NCc1ccccc1
Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)N/C(=C/c1ccccc1Cl)C(=O)N[*:1]
Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)NCc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccccc1)/C(=C\c1ccccc1Cl)NC(=O)[*:1]
Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N/C(=C/c1ccccc1Cl)C(=O)NC[*:1]
Cc1nc(-c2cccc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)c2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1cnn(c1)C[C@H]1CCCO1)c1cccc(c1)[*:1]
O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(c2ccccc2O)CC1 c1ccc(cc1)C[*:1] O=C(c1cn(nc1-c1cccnc1)[*:1])N1CCN(CC1)c1ccccc1O
O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(c2ccccc2O)CC1 c1ccc(cc1)[*:1] O=C(c1cn(C[*:1])nc1-c1cccnc1)N1CCN(CC1)c1ccccc1O
O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(CC1)[*:1]
O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(c2ccccc2O)CC1 c1cncc(c1)[*:1] O=C(c1cn(Cc2ccccc2)nc1[*:1])N1CCN(CC1)c1ccccc1O
O=C(c1cccc(Cl)c1)N1CCO[C@@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1cccc(Cl)c1)N1CCO[C@@H](C1)[*:1]
O=C(c1cccc(Cl)c1)N1CCO[C@@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cccc(Cl)c1)N1CCO[C@H](C1)C[*:1]
O=C(c1cccc(Cl)c1)N1CCO[C@@H](Cc2ccccc2)C1 Clc1cccc(c1)[*:1] O=C(N1CCO[C@@H](Cc2ccccc2)C1)[*:1]
O=C(CCNC(=O)C(=O)Nc1cc(F)ccc1Cl)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCNC(=O)C(=O)Nc1cc(F)ccc1Cl)N[*:1]
O=C(CCNC(=O)C(=O)Nc1cc(F)ccc1Cl)NC1CCCCC1 Fc1ccc(Cl)c(c1)[*:1] O=C(CCNC(=O)C(=O)N[*:1])NC1CCCCC1
CCc1nn(C)cc1C(=O)NCCC1CCN(CC(F)(F)F)CC1 CCc1nn(C)cc1[*:1] O=C(NCCC1CCN(CC1)CC(F)(F)F)[*:1]
CCc1nn(C)cc1C(=O)NCCC1CCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] CCc1nn(C)cc1C(=O)NCCC1CCN(CC1)[*:1]
CCc1nn(C)cc1C(=O)NCCC1CCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] CCc1nn(C)cc1C(=O)NCCC1CCN(CC1)C[*:1]
CC1(C)C[C@@H](Nc2ccc(-c3c[nH]cn3)cc2)C(C)(C)O1 c1nc(c[nH]1)[*:1] CC1(C)C[C@@H](Nc2ccc(cc2)[*:1])C(C)(C)O1
O=C(NCc1cccc(OCc2ccccn2)c1)c1nc2cccnc2nc1[O-] c1ccc(C[*:1])nc1 O=C(NCc1cccc(c1)O[*:1])c1nc2cccnc2nc1[O-]
O=C(NCc1cccc(OCc2ccccn2)c1)c1nc2cccnc2nc1[O-] c1ccc(nc1)[*:1] O=C(NCc1cccc(c1)OC[*:1])c1nc2cccnc2nc1[O-]
O=C(NCc1cccc(OCc2ccccn2)c1)c1nc2cccnc2nc1[O-] c1ccc(CO[*:1])nc1 O=C(NCc1cccc(c1)[*:1])c1nc2cccnc2nc1[O-]
O=C(Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1cc(nn1[C@@H]1CCS(=O)(=O)C1)-c1ccccc1)[*:1]
O=C(Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccco1 O=C(N[*:1])c1ccco1 O=S1(=O)CC[C@H](C1)n1nc(cc1[*:1])-c1ccccc1
O=C(Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1cc(nn1[C@@H]1CCS(=O)(=O)C1)[*:1])c1ccco1
CC(C)n1c(=O)[nH]c2c(c1=O)[C@@H]1c3ccccc3OC[C@H]1CO2 CC(C)[*:1] O=c1[nH]c2OC[C@@H]3COc4ccccc4[C@H]3c2c(=O)n1[*:1]
C[C@@H](CNc1ncc(C(=O)N2CCCCC2)cc1Cl)N1CC[NH+](C)CC1 O=C(N1CCCCC1)[*:1] C[C@@H](CNc1ncc(cc1Cl)[*:1])N1CC[NH+](C)CC1
CCOc1cccc(NC(=O)C(=O)NCc2cnc(C)s2)c1 Cc1ncc(C[*:1])s1 CCOc1cccc(c1)NC(=O)C(=O)N[*:1]
CCOc1cccc(NC(=O)C(=O)NCc2cnc(C)s2)c1 CCO[*:1] Cc1ncc(CNC(=O)C(=O)Nc2cccc(c2)[*:1])s1
CCOc1cccc(NC(=O)C(=O)NCc2cnc(C)s2)c1 Cc1ncc(s1)[*:1] CCOc1cccc(c1)NC(=O)C(=O)NC[*:1]
Cc1ccc(NC(=O)NC[C@@H](C)C#N)c(F)c1 C[C@@H](C#N)C[*:1] Cc1ccc(NC(=O)N[*:1])c(F)c1
Cc1ccc(NC(=O)NC[C@@H](C)C#N)c(F)c1 C[C@@H](C#N)[*:1] Cc1ccc(NC(=O)NC[*:1])c(F)c1
Cc1ccc(NC(=O)c2cc(C(C)C)no2)c(O)c1 CC(C)[*:1] Cc1ccc(NC(=O)c2cc(no2)[*:1])c(O)c1
CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1cccc(c1)[*:1]
CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 CCC[*:1] C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[*:1])c1cccc(c1)N1CCCC1
Cc1nonc1CC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1nonc1CC(=O)N1CCC(CCC(=O)N(C)[*:1])CC1
Cc1nonc1CC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1 Cc1nonc1C[*:1] CN(Cc1ccccc1)C(=O)CCC1CCN(CC1)C(=O)[*:1]
Cc1nonc1CC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1 Cc1nonc1[*:1] CN(Cc1ccccc1)C(=O)CCC1CCN(CC1)C(=O)C[*:1]
Cc1nonc1CC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1nonc1CC(=O)N1CCC(CCC(=O)N(C)C[*:1])CC1
O=C(NNS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1cccc(O)c1 C1CCC(CC1)[*:1] O=C(NNS(=O)(=O)c1ccc(cc1)[*:1])c1cccc(O)c1
O=C(NNS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1cccc(O)c1 Oc1cccc(c1)[*:1] O=C(NNS(=O)(=O)c1ccc(cc1)C1CCCCC1)[*:1]
CC(C)(C)c1ccc(CNC(=O)C(=O)NCCc2ccccc2)cc1 CC(C)(C)[*:1] O=C(NCCc1ccccc1)C(=O)NCc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(CNC(=O)C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)(C)c1ccc(cc1)CNC(=O)C(=O)NC[*:1]
CC(C)(C)c1ccc(CNC(=O)C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] CC(C)(C)c1ccc(cc1)CNC(=O)C(=O)N[*:1]
CC(C)(C)c1ccc(CNC(=O)C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)CNC(=O)C(=O)NCC[*:1]
CC(C)NC(=O)c1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1 CC(C)NC(=O)[*:1] CC(C)Oc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1 CC(C)[*:1] CC(C)Oc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)c1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1 CC(C)O[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)c1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1 CC(C)[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)O[*:1]
CC(C)CN(C(=O)COc1ccc(Br)cc1C=O)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)COc1ccc(Br)cc1C=O)[*:1]
CC(C)CN(C(=O)COc1ccc(Br)cc1C=O)C1CC1 CC(C)[*:1] O=Cc1cc(Br)ccc1OCC(=O)N(C[*:1])C1CC1
CC(C)CN(C(=O)COc1ccc(Br)cc1C=O)C1CC1 CC(C)C[*:1] O=Cc1cc(Br)ccc1OCC(=O)N(C1CC1)[*:1]
COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)c(F)c1F Clc1cc(Br)ccc1[*:1] COc1c(F)c(F)c(C(=O)NC(=S)N[*:1])c(F)c1F
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[*:1]
CC[C@@H](c1ccccc1)[S@@](=O)CC(=O)Nc1cccc(Cl)c1C c1ccc(cc1)[*:1] CC[C@@H]([S@@](=O)CC(=O)Nc1cccc(Cl)c1C)[*:1]
O=C1CC[C@H](Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)C1 C1CCC(C1)[*:1] O=C1CC[C@@H](C1)Sc1nnc(-c2ccccc2Cl)n1[*:1]
O=C1CC[C@H](Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)C1 Clc1ccccc1[*:1] O=C1CC[C@@H](C1)Sc1nnc(n1C1CCCC1)[*:1]
Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@@H](c1ccc[nH]c1=O)SCC(O)=N2 O=c1[nH]cccc1[*:1] Cc1nn(-c2ccc(cc2)C(=O)[O-])c2N=C(O)CS[C@H](c12)[*:1]
Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@@H](c1ccc[nH]c1=O)SCC(O)=N2 O=C([O-])c1ccc(cc1)[*:1] Cc1nn(c2N=C(O)CS[C@@H](c12)c1ccc[nH]c1=O)[*:1]
Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@@H](c1ccc[nH]c1=O)SCC(O)=N2 O=C([O-])[*:1] Cc1nn(-c2ccc(cc2)[*:1])c2N=C(O)CS[C@@H](c12)c1ccc[nH]c1=O
CCOc1ccc(/C=C/C(=O)Oc2ccccc2)cc1OC CCO[*:1] COc1cc(/C=C/C(=O)Oc2ccccc2)ccc1[*:1]
CCOc1ccc(/C=C/C(=O)Oc2ccccc2)cc1OC c1ccc(cc1)[*:1] CCOc1ccc(/C=C/C(=O)O[*:1])cc1OC
COc1cc(/C=C/C(=O)N2CCC[C@@H](c3nn(C)c(=O)n3C(C)C)C2)cc(OC)c1OC CC(C)[*:1] COc1cc(/C=C/C(=O)N2CCC[C@H](C2)c2nn(C)c(=O)n2[*:1])cc(OC)c1OC
COc1cc(/C=C/C(=O)N2CCC[C@@H](c3nn(C)c(=O)n3C(C)C)C2)cc(OC)c1OC CC(C)n1c(nn(C)c1=O)[*:1] COc1cc(/C=C/C(=O)N2CCC[C@@H](C2)[*:1])cc(OC)c1OC
O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=c1c2nnn(-c3cccc(Cl)c3)c2ncn1C[*:1]
O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)N[*:1]
O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)Nc1ccccc1 Clc1cccc(c1)[*:1] O=C(Cn1cnc2c(nnn2[*:1])c1=O)Nc1ccccc1
CSc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)ccc1N N#Cc1ccccc1[*:1] CSc1cc(ccc1N)C(=O)O[C@H](C)C(=O)N[*:1]
CC[C@@H](C)C(=O)Nc1cccnc1Oc1ccc(OC)cc1 CC[C@@H](C)C(=O)N[*:1] COc1ccc(cc1)Oc1ncccc1[*:1]
CC[C@@H](C)C(=O)Nc1cccnc1Oc1ccc(OC)cc1 CC[C@@H](C)[*:1] COc1ccc(cc1)Oc1ncccc1NC(=O)[*:1]
N#CCSc1cccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 N#CC[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)c1cccc(c1)S[*:1]
N#CCSc1cccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 c1ccc(cc1)[*:1] N#CCSc1cccc(c1)C(=O)NC[C@@H]1CCN(C1)[*:1]
N#CCSc1cccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 N#CCS[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)c1cccc(c1)[*:1]
[NH3+][C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccn4ncccc43)CS[C@H]12 O=C([O-])[*:1] [NH3+][C@@H]1C(=O)N2C(=C(CS[C@H]12)C[n+]1ccn2ncccc21)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N1CCN=C1SC[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(Cl)c2)cc1 Clc1cccc(c1)C[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N1CCN=C1S[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(Cl)c2)cc1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN=C1SCc1cccc(Cl)c1
CCOCCCNc1nc([C@H]2CC(=O)N(C)C2)cc(=O)[nH]1 CCO[*:1] CN1C[C@H](CC1=O)c1cc(=O)[nH]c(n1)NCCC[*:1]
CCOCCCNc1nc([C@H]2CC(=O)N(C)C2)cc(=O)[nH]1 CCOCC[*:1] CN1C[C@H](CC1=O)c1cc(=O)[nH]c(n1)NC[*:1]
CCOCCCNc1nc([C@H]2CC(=O)N(C)C2)cc(=O)[nH]1 CCOCCC[*:1] CN1C[C@H](CC1=O)c1cc(=O)[nH]c(n1)N[*:1]
CCOCCCNc1nc([C@H]2CC(=O)N(C)C2)cc(=O)[nH]1 CCOCCCN[*:1] CN1C[C@H](CC1=O)c1cc(=O)[nH]c(n1)[*:1]
CCOCCCNc1nc([C@H]2CC(=O)N(C)C2)cc(=O)[nH]1 CCOC[*:1] CN1C[C@H](CC1=O)c1cc(=O)[nH]c(n1)NCC[*:1]
CC(C)c1n[nH]c(-c2ccccc2NC(=O)COc2cccc3c2OC(C)(C)C3)n1 CC(C)c1n[nH]c(n1)[*:1] CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3[*:1])c2O1
CC(C)c1n[nH]c(-c2ccccc2NC(=O)COc2cccc3c2OC(C)(C)C3)n1 CC(C)[*:1] CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3-c3nc(n[nH]3)[*:1])c2O1
CCNC(=O)C[NH2+]Cc1ccc(SC)cc1 CCNC(=O)[*:1] CSc1ccc(cc1)C[NH2+]C[*:1]
O=C(Nc1ccc(Sc2cccs2)cn1)c1ccc([O-])nn1 [O-]c1ccc(nn1)[*:1] O=C(Nc1ccc(cn1)Sc1cccs1)[*:1]
O=C(Nc1ccc(Sc2cccs2)cn1)c1ccc([O-])nn1 c1csc(c1)S[*:1] O=C(Nc1ccc(cn1)[*:1])c1ccc([O-])nn1
O=C(Nc1ccc(Sc2cccs2)cn1)c1ccc([O-])nn1 c1csc(c1)[*:1] O=C(Nc1ccc(cn1)S[*:1])c1ccc([O-])nn1
C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1nnc(s1)[*:1]
Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC1)O2 O=C(NC[C@@H]1CCCO1)[*:1] Cc1ccc2O[C@]3(CCC(=O)N(CC3)[C@@H](C)[*:1])CC(=O)c2c1
Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC1)O2 C1CO[C@@H](C1)[*:1] Cc1ccc2O[C@]3(CCC(=O)N(CC3)[C@@H](C)C(=O)NC[*:1])CC(=O)c2c1
Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC1)O2 C1CO[C@@H](C1)C[*:1] Cc1ccc2O[C@]3(CCC(=O)N(CC3)[C@@H](C)C(=O)N[*:1])CC(=O)c2c1
COc1ccccc1[C@H](C/N=C/c1cccc(OC)c1O)[NH+]1CCCC1 COc1ccccc1[*:1] COc1cccc(/C=N/C[C@H]([NH+]2CCCC2)[*:1])c1O
Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH2+]C[C@H]([C@@H]1CCOC1)[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)o1 Cc1ccc(o1)[*:1] c1[nH]nc(c1C[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1)[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)o1 C1C[C@H](CO1)[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH2+]C[C@H](N1CCOCC1)[*:1]
COc1cccc(CSc2nnc(NC(=O)CC(C)C)s2)c1 CC(C)CC(=O)N[*:1] COc1cccc(c1)CSc1nnc(s1)[*:1]
COc1cccc(CSc2nnc(NC(=O)CC(C)C)s2)c1 CC(C)C[*:1] COc1cccc(c1)CSc1nnc(NC(=O)[*:1])s1
COc1cccc(CSc2nnc(NC(=O)CC(C)C)s2)c1 CC(C)[*:1] COc1cccc(c1)CSc1nnc(NC(=O)C[*:1])s1
CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(-c3c[nH+]c4n3CCC4)c2)cc1 CC(C)(C)[*:1] O=S(=O)(Nc1cccc(c1)-c1c[nH+]c2CCCn12)c1ccc(cc1)[*:1]
O=C(Nc1ccnn1C1CCCCC1)N[C@H]1CC=CCC1 C1CCC(CC1)[*:1] O=C(Nc1ccnn1[*:1])N[C@H]1CC=CCC1
Cc1nc([C@H](NC(=O)[C@@H]2CCO[C@@H]2C)c2ccccc2F)no1 Cc1nc(no1)[*:1] C[C@H]1OCC[C@H]1C(=O)N[C@H](c1ccccc1F)[*:1]
Cc1nc([C@H](NC(=O)[C@@H]2CCO[C@@H]2C)c2ccccc2F)no1 Fc1ccccc1[*:1] Cc1nc(no1)[C@H](NC(=O)[C@@H]1CCO[C@@H]1C)[*:1]
O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NC1CC1 O=C(CC[*:1])NC1CC1 O=C(N1CCN(CC1)c1nc2cccnc2s1)[*:1]
O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NC1CC1 C1CC1[*:1] O=C(CCC(=O)N1CCN(CC1)c1nc2cccnc2s1)N[*:1]
O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(C[*:1])N1CCN(CC1)c1nc2cccnc2s1
O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1nc2cccnc2s1
Cc1ccc(-c2cnn3c(N4CCCCC4)cc(C)nc23)cc1 C1CCN(CC1)[*:1] Cc1ccc(cc1)-c1cnn2c(cc(C)nc12)[*:1]
Cc1ccc(-c2cnn3c(N4CCCCC4)cc(C)nc23)cc1 Cc1ccc(cc1)[*:1] Cc1cc(N2CCCCC2)n2ncc(c2n1)[*:1]
C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C C=CCCO[C@H](C)[*:1] C[C@@H]1C[C@@H](CN1C(=O)[*:1])c1ccc(F)cc1
C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C C=CCC[*:1] C[C@@H](O[*:1])C(=O)N1C[C@H](C[C@H]1C)c1ccc(F)cc1
C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C Fc1ccc(cc1)[*:1] C=CCCO[C@H](C)C(=O)N1C[C@@H](C[C@H]1C)[*:1]
C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C C=CCCO[*:1] C[C@@H]1C[C@@H](CN1C(=O)[C@@H](C)[*:1])c1ccc(F)cc1
C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C C=CC[*:1] C[C@@H](OC[*:1])C(=O)N1C[C@H](C[C@H]1C)c1ccc(F)cc1
Cc1cc(C)cc(C[C@@H](C)[NH2+][C@H](C)CCn2cncn2)c1 c1ncn(C[*:1])n1 Cc1cc(C)cc(c1)C[C@@H](C)[NH2+][C@H](C)C[*:1]
Cc1cc(C)cc(C[C@@H](C)[NH2+][C@H](C)CCn2cncn2)c1 c1ncn(n1)[*:1] Cc1cc(C)cc(c1)C[C@@H](C)[NH2+][C@H](C)CC[*:1]
Cc1cc(C)cc(C[C@@H](C)[NH2+][C@H](C)CCn2cncn2)c1 c1ncn(CC[*:1])n1 Cc1cc(C)cc(c1)C[C@@H](C)[NH2+][C@H](C)[*:1]
O=C(NCc1ccccc1F)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 Fc1ccccc1C[*:1] O=C(N[*:1])c1c2CN(CCc2nc2ccccc12)Cc1ccccc1
O=C(NCc1ccccc1F)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 Fc1ccccc1[*:1] O=C(NC[*:1])c1c2CN(CCc2nc2ccccc12)Cc1ccccc1
O=C(NCc1ccccc1F)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] O=C(NCc1ccccc1F)c1c2CN(CCc2nc2ccccc12)C[*:1]
O=C(NCc1ccccc1F)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] O=C(NCc1ccccc1F)c1c2CN(CCc2nc2ccccc12)[*:1]
CC(C)Nc1nc[nH+]c(N2CCc3ccccc32)c1N CC(C)N[*:1] Nc1c(nc[nH+]c1N1CCc2ccccc21)[*:1]
CC(C)Nc1nc[nH+]c(N2CCc3ccccc32)c1N CC(C)[*:1] Nc1c(nc[nH+]c1N1CCc2ccccc21)N[*:1]
CC(C)n1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc21 C[C@H](c1ccccc1)[*:1] CC(C)n1cc(/C=C(\C#N)C(=O)N[*:1])c2ccccc21
CC(C)n1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CC(C)n1cc(/C=C(\C#N)C(=O)N[C@H](C)[*:1])c2ccccc21
CC(C)n1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc21 CC(C)[*:1] C[C@@H](NC(=O)/C(C#N)=C/c1cn(c2ccccc12)[*:1])c1ccccc1
Cc1ccc(NC(=O)NCCCn2nc3ccccn3c2=O)s1 Cc1ccc(s1)[*:1] O=C(NCCCn1nc2ccccn2c1=O)N[*:1]
CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCC(C(N)=O)CC3)o2)cc1 O=S(=O)(c1ccc(F)cc1)[*:1] CCOc1ccc(cc1)-c1nc(c(o1)N1CCC(CC1)C(N)=O)[*:1]
CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCC(C(N)=O)CC3)o2)cc1 NC(=O)C1CCN(CC1)[*:1] CCOc1ccc(cc1)-c1nc(c(o1)[*:1])S(=O)(=O)c1ccc(F)cc1
CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCC(C(N)=O)CC3)o2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1nc(c(o1)N1CCC(CC1)C(N)=O)S(=O)(=O)[*:1]
CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCC(C(N)=O)CC3)o2)cc1 CCO[*:1] NC(=O)C1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccc(F)cc1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCC(C(N)=O)CC3)o2)cc1 CCOc1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccc(F)cc1)[*:1]
CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCC(C(N)=O)CC3)o2)cc1 NC(=O)[*:1] CCOc1ccc(cc1)-c1nc(c(o1)N1CCC(CC1)[*:1])S(=O)(=O)c1ccc(F)cc1
CC(C)Cn1nccc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 CC(C)[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)Nc1ccnn1C[*:1]
CC(C)Cn1nccc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 CC(C)C[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)Nc1ccnn1[*:1]
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C CC(=O)[*:1] C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@]2(O)[*:1]
Cc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2CC1CCCCC1 C1CCC(CC1)[*:1] Cc1nc(nc2c1CCC(=O)N2C[*:1])[C@@H]1CCCN(C1)S(=O)(=O)N(C)C
Cc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2CC1CCCCC1 C1CCC(CC1)C[*:1] Cc1nc(nc2c1CCC(=O)N2[*:1])[C@@H]1CCCN(C1)S(=O)(=O)N(C)C
CC[C@@H](C[NH2+][C@H](C)c1ccc(F)cn1)Oc1cccc(F)c1 Fc1ccc(nc1)[*:1] CC[C@@H](C[NH2+][C@H](C)[*:1])Oc1cccc(F)c1
CC[C@@H](C[NH2+][C@H](C)c1ccc(F)cn1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@@H](C[NH2+][C@H](C)c1ccc(F)cn1)O[*:1]
Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)o2)s1 Cc1ccc(s1)[*:1] c1cnc2ccc(cc2c1)C[NH+]1CCC(CC1)c1nnc(o1)[*:1]
Fc1cc2[nH]c(CSc3ccccc3)nc2cc1Br c1ccc(cc1)[*:1] Fc1cc2[nH]c(CS[*:1])nc2cc1Br
CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)C Cc1ccc(cc1)OC[*:1] CCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1[*:1])C(C)C
CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)C CC(C)[*:1] CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)[*:1]
CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)C Cc1ccc(cc1)[*:1] CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1CO[*:1])C(C)C
CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)C Cc1ccc(cc1)O[*:1] CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1C[*:1])C(C)C
CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)C CCNC(=O)N(C(C)C)[*:1] Cc1ccc(cc1)OC[C@@H]1c2ccsc2CCN1C(=O)C[*:1]
CCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)C CCNC(=O)N(C[*:1])C(C)C Cc1ccc(cc1)OC[C@@H]1c2ccsc2CCN1C(=O)[*:1]
CCOC(=O)c1sc2nc(C)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1C CCOC(=O)[*:1] Cc1nc(c2c(C)c(sc2n1)[*:1])N1CC[NH+](CC1)C[C@@H]1CCCO1
C/C=C/CS(=O)(=O)Cc1nc(-c2cccc(C)c2)no1 C/C=C/C[*:1] Cc1cccc(c1)-c1noc(CS(=O)(=O)[*:1])n1
C/C=C/CS(=O)(=O)Cc1nc(-c2cccc(C)c2)no1 CC=C[*:1] Cc1cccc(c1)-c1noc(CS(=O)(=O)C[*:1])n1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 C1CN(CCO1)[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 C1CN(CCO1)C[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 C1CN(CCO1)CC[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc(F)cc1)[*:1])c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] O=C1C([O-])=C([C@@H](c2ccc(F)cc2)N1CCN1CCOCC1)[*:1]
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1[*:1])c1ccc(Cl)cc1
COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CSc2nccc(=O)n2C1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)[C@H]1CSc2nccc(=O)n2C1)[*:1]
CCOc1cccc(C(=O)c2c(C)c(C#N)c(=O)n(C)c2[O-])c1 CCO[*:1] Cc1c(C(=O)c2cccc(c2)[*:1])c([O-])n(C)c(=O)c1C#N
Cc1nonc1C[NH2+]C1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 C[C@H](c1ccccc1)[*:1] Cc1nonc1C[NH2+]C1CCN(CC1)c1ccc(cc1)C(=O)N[*:1]
Cc1nonc1C[NH2+]C1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] Cc1nonc1C[NH2+]C1CCN(CC1)c1ccc(cc1)C(=O)N[C@H](C)[*:1]
C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 O=[N+]([O-])[*:1] C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc2cc([C@H](C)Nc3ccc(NC(C)=O)c(OC)c3)ccc2c1 CC(=O)N[*:1] COc1ccc2cc(ccc2c1)[C@H](C)Nc1ccc(c(c1)OC)[*:1]
CCOc1ccc(NC(=O)c2cc(Cl)nc([O-])n2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(Cl)nc([O-])n1
CCCNC(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CCCNC(=O)N1[C@H]2CCCC[C@@H]2CC[C@H]1[*:1]
CCCNC(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-] CCC[*:1] O=C([O-])[C@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)N[*:1]
CCOc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1OC)[C@H]2[NH3+] CCO[*:1] COc1ccccc1[C@H]1[C@@H]([NH3+])c2ccc(cc2OC1(C)C)[*:1]
CCOc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1OC)[C@H]2[NH3+] COc1ccccc1[*:1] CCOc1ccc2c(c1)OC(C)(C)[C@@H]([C@H]2[NH3+])[*:1]
Cc1ncc(CN(C)C(=O)c2ccc(-c3ccco3)[nH]c2=O)s1 c1coc(c1)[*:1] Cc1ncc(CN(C)C(=O)c2ccc([nH]c2=O)[*:1])s1
Cc1ncc(CN(C)C(=O)c2ccc(-c3ccco3)[nH]c2=O)s1 Cc1ncc(s1)[*:1] CN(C[*:1])C(=O)c1ccc([nH]c1=O)-c1ccco1
Cc1ncc(CN(C)C(=O)c2ccc(-c3ccco3)[nH]c2=O)s1 Cc1ncc(C[*:1])s1 CN(C(=O)c1ccc([nH]c1=O)-c1ccco1)[*:1]
COc1ccc2c(c1)C=C(C(=O)Nc1cccc(NC(=O)C(C)C)c1)CO2 CC(C)[*:1] COc1ccc2OCC(=Cc2c1)C(=O)Nc1cccc(c1)NC(=O)[*:1]
COc1ccc2c(c1)C=C(C(=O)Nc1cccc(NC(=O)C(C)C)c1)CO2 CC(C)C(=O)N[*:1] COc1ccc2OCC(=Cc2c1)C(=O)Nc1cccc(c1)[*:1]
C=Cc1ccc(OC)c(OCc2ccccc2)c1 c1ccc(cc1)[*:1] C=Cc1ccc(OC)c(c1)OC[*:1]
O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)nc1 O=[N+]([O-])[*:1] O=C(CCc1cccc(c1)[*:1])Nc1ccc(Cl)nc1
O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(CCc1cccc(c1)[N+](=O)[O-])N[*:1]
CC[NH2+]C[C@H](Cc1nc(C)cs1)c1ccc(Cl)cc1 Cc1csc(n1)[*:1] CC[NH2+]C[C@H](C[*:1])c1ccc(Cl)cc1
O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N[*:1]
CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1=O c1cc2CCCCc2cc1[*:1] CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(CC2)S(=O)(=O)[*:1])c1=O
Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)on1 FC(F)(F)[*:1] Cc1cc(on1)C(=O)N1CCC[C@H](C1)c1nc(cc(n1)[*:1])-c1cccs1
Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)on1 Cc1cc(on1)[*:1] O=C(N1CCC[C@H](C1)c1nc(cc(n1)C(F)(F)F)-c1cccs1)[*:1]
Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)on1 c1csc(c1)[*:1] Cc1cc(on1)C(=O)N1CCC[C@H](C1)c1nc(cc(n1)[*:1])C(F)(F)F
COc1ccc(CN2CCN(C(=O)c3cccnc3SC)CC2=O)cc1 CSc1ncccc1[*:1] COc1ccc(cc1)CN1CCN(CC1=O)C(=O)[*:1]
COc1ccc(CN2CCN(C(=O)c3cccnc3SC)CC2=O)cc1 COc1ccc(cc1)[*:1] CSc1ncccc1C(=O)N1CCN(C[*:1])C(=O)C1
Cc1cc(NC(=O)c2ccccc2S(C)(=O)=O)n(-c2nc3ccccc3s2)n1 CS(=O)(=O)[*:1] Cc1cc(NC(=O)c2ccccc2[*:1])n(n1)-c1nc2ccccc2s1
Cc1cc(NC(=O)c2ccccc2S(C)(=O)=O)n(-c2nc3ccccc3s2)n1 c1ccc2sc(nc2c1)[*:1] Cc1cc(NC(=O)c2ccccc2S(C)(=O)=O)n(n1)[*:1]
CC(=O)[C@@H](C)S[C@@H](C(=O)NC1CCCCCCC1)C(C)C CC(=O)[C@@H](C)[*:1] CC(C)[C@@H](S[*:1])C(=O)NC1CCCCCCC1
CC(=O)[C@@H](C)S[C@@H](C(=O)NC1CCCCCCC1)C(C)C CC(C)[*:1] CC(=O)[C@@H](C)S[C@@H](C(=O)NC1CCCCCCC1)[*:1]
CC(=O)[C@@H](C)S[C@@H](C(=O)NC1CCCCCCC1)C(C)C CC(=O)[*:1] CC(C)[C@@H](S[C@H](C)[*:1])C(=O)NC1CCCCCCC1
CCC[NH2+][C@H](c1ccc(OCC)cc1Br)[C@@H]1COCCO1 CCC[*:1] CCOc1ccc(c(Br)c1)[C@@H]([NH2+][*:1])[C@@H]1COCCO1
CCC[NH2+][C@H](c1ccc(OCC)cc1Br)[C@@H]1COCCO1 CCO[*:1] CCC[NH2+][C@H](c1ccc(cc1Br)[*:1])[C@@H]1COCCO1
COc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)C(=O)NCCc1csc(n1)[*:1]
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CCCn2ccnn2)C1 c1cn(CC[*:1])nn1 O=C(c1ccc(F)cc1)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CCCn2ccnn2)C1 c1cn(C[*:1])nn1 O=C(c1ccc(F)cc1)[C@H]1CCCN(C1)C(=O)CC[*:1]
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CCCn2ccnn2)C1 c1cn(nn1)[*:1] O=C(c1ccc(F)cc1)[C@H]1CCCN(C1)C(=O)CCC[*:1]
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CCCn2ccnn2)C1 Fc1ccc(cc1)[*:1] O=C(CCCn1ccnn1)N1CCC[C@@H](C1)C(=O)[*:1]
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CCCn2ccnn2)C1 c1cn(CCC[*:1])nn1 O=C(c1ccc(F)cc1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(C(=O)NCc2ncn(C)n2)nn1-c1ccc(Br)cc1 Cn1cnc(n1)[*:1] Cc1cc(nn1-c1ccc(Br)cc1)C(=O)NC[*:1]
Cc1cc(C(=O)NCc2ncn(C)n2)nn1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)NCc1ncn(C)n1
Cc1cc(C(=O)NCc2ncn(C)n2)nn1-c1ccc(Br)cc1 Cn1cnc(C[*:1])n1 Cc1cc(nn1-c1ccc(Br)cc1)C(=O)N[*:1]
O=C(CCC(=O)c1ccc(Cl)cc1)NCc1cccs1 c1csc(c1)C[*:1] O=C(CCC(=O)c1ccc(Cl)cc1)N[*:1]
O=C(CCC(=O)c1ccc(Cl)cc1)NCc1cccs1 c1csc(c1)[*:1] O=C(CCC(=O)c1ccc(Cl)cc1)NC[*:1]
C[NH2+][C@@H](C)c1ccn(CCS(C)(=O)=O)c1 CS(=O)(=O)[*:1] C[NH2+][C@@H](C)c1ccn(c1)CC[*:1]
C[NH2+][C@@H](C)c1ccn(CCS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] C[NH2+][C@@H](C)c1ccn(c1)C[*:1]
COc1ccc([C@@H]2CCCN2C(=O)Nc2c(F)cccc2F)cc1OC Fc1cccc(F)c1[*:1] COc1ccc(cc1OC)[C@@H]1CCCN1C(=O)N[*:1]
COc1cc(C(=O)N2CCc3nc(NC(=O)c4cccs4)sc3C2)cc(OC)c1OC O=C(N[*:1])c1cccs1 COc1cc(cc(OC)c1OC)C(=O)N1CCc2nc(sc2C1)[*:1]
COc1cc(C(=O)N2CCc3nc(NC(=O)c4cccs4)sc3C2)cc(OC)c1OC c1csc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
C[C@H](c1ccc(Cl)cc1)N(C(=O)CN1C(=O)CSc2ccccc21)C1CC1 C[C@H](c1ccc(Cl)cc1)[*:1] O=C1CSc2ccccc2N1CC(=O)N(C1CC1)[*:1]
C[C@H](c1ccc(Cl)cc1)N(C(=O)CN1C(=O)CSc2ccccc21)C1CC1 Clc1ccc(cc1)[*:1] C[C@H](N(C(=O)CN1C(=O)CSc2ccccc21)C1CC1)[*:1]
C[C@H](c1ccc(Cl)cc1)N(C(=O)CN1C(=O)CSc2ccccc21)C1CC1 C1CC1[*:1] C[C@H](c1ccc(Cl)cc1)N(C(=O)CN1C(=O)CSc2ccccc21)[*:1]
Nc1nnc(CNC(=O)c2ccc(Cl)c(Cl)c2)s1 Nc1nnc(s1)[*:1] O=C(NC[*:1])c1ccc(Cl)c(Cl)c1
COC(=O)c1cccc(N[C@@H](C)c2cnn(C)c2)n1 COC(=O)[*:1] C[C@H](Nc1cccc(n1)[*:1])c1cnn(C)c1
COC(=O)c1cccc(N[C@@H](C)c2cnn(C)c2)n1 Cn1cc(cn1)[*:1] COC(=O)c1cccc(n1)N[C@@H](C)[*:1]
Cc1cccc(CN(C(=O)Cc2ccc(C)c(O)c2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(C(=O)Cc1ccc(C)c(O)c1)[*:1]
Cc1cccc(CN(C(=O)Cc2ccc(C)c(O)c2)C2CC2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1O)CC(=O)N(C[*:1])C1CC1
CO[C@H]1CCC[C@@H](OC(=O)[C@](C)(N)C(F)(F)F)C1 FC(F)(F)[*:1] CO[C@H]1CCC[C@H](C1)OC(=O)[C@](C)(N)[*:1]
CC[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ccc(cc1)CN1C(=O)CCC1=O)[*:1]
CC[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Br)cc1 O=C1CCC(=O)N1C[*:1] CC[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(Br)cc1
CC[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Br)cc1 O=C1CCC(=O)N1[*:1] CC[C@@H](NC(=O)c1ccc(cc1)C[*:1])c1ccc(Br)cc1
Cc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)Nc3cc(C)on3)n2)cc1 Cc1cc(no1)NC(=O)[*:1] Cc1ccc(cc1)-c1cc(nc(n1)SCC[*:1])C(F)(F)F
Cc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)Nc3cc(C)on3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CCSc1nc(cc(n1)[*:1])C(F)(F)F
Cc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)Nc3cc(C)on3)n2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)-c1cc(nc(n1)SCCC(=O)N[*:1])C(F)(F)F
Cc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)Nc3cc(C)on3)n2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1cc(nc(n1)SCCC(=O)Nc1cc(C)on1)[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H](C)S(C)(=O)=O)c1 C[C@H](S(C)(=O)=O)[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H](C)S(C)(=O)=O)c1 Cc1cnn(c1)C[*:1] C[C@@H](C(=O)N1CCCC[C@H]1[*:1])S(C)(=O)=O
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H](C)S(C)(=O)=O)c1 CS(=O)(=O)[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)[C@H](C)[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H](C)S(C)(=O)=O)c1 Cc1cnn(c1)[*:1] C[C@@H](C(=O)N1CCCC[C@H]1C[*:1])S(C)(=O)=O
CCS[C@H]1CC[C@@H](NC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)C1 CCS[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)N[C@@H]1CC[C@@H](C1)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)C1 CC(C)(C)[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)N1CCCN(CC1)C(=O)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1Oc1ccccc1 Cc1noc(C)c1[*:1] C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1Oc1ccccc1)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1Oc1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1Oc1ccccc1 c1ccc(cc1)O[*:1] Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2cccc(F)c2F)C1=O Fc1cccc(c1F)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(Cl)c(Cl)c1
C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2cccc(F)c2F)C1=O Clc1ccc(cc1Cl)[*:1] C[C@]1(NC(=O)N(Cc2cccc(F)c2F)C1=O)[*:1]
Cc1cc(CNC(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)n[nH]1 Cc1cc(C[*:1])n[nH]1 O=C(N[*:1])c1cnc([nH]c1=O)C12CC3CC(CC(C3)C1)C2
Cc1cc(CNC(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)n[nH]1 Cc1cc(n[nH]1)[*:1] O=C(NC[*:1])c1cnc([nH]c1=O)C12CC3CC(CC(C3)C1)C2
Cc1ccccc1NC(=O)N1CCN(CCn2cc[nH+]c2-c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)N1CCN(CC1)CCn1cc[nH+]c1[*:1]
Cc1ccccc1NC(=O)N1CCN(CCn2cc[nH+]c2-c2ccccc2)CC1 Cc1ccccc1[*:1] O=C(N[*:1])N1CCN(CC1)CCn1cc[nH+]c1-c1ccccc1
CCOc1ccc([C@@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCC)=NC(=O)[C@@H]32)cc1 CCOc1ccc(cc1)[*:1] CCSC1=NC(=O)[C@H]2C(N=C3CC(C)(C)CC([O-])=C3[C@H]2[*:1])=N1
CCOc1ccc([C@@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCC)=NC(=O)[C@@H]32)cc1 CCO[*:1] CCSC1=NC(=O)[C@H]2C(N=C3CC(C)(C)CC([O-])=C3[C@H]2c2ccc(cc2)[*:1])=N1
CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2OC)S/C1=N\c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1ccccc1OC
CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2OC)S/C1=N\c1ccc(Br)cc1 COc1ccccc1[*:1] CCN1C(=O)C[C@H](S/C1=N\c1ccc(Br)cc1)C(=O)N[*:1]
CC[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@@H](N[C@@H](C)c1cccc(c1)-n1cccn1)C(=O)N[*:1]
CC[C@@H](N[C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1cc(C)on1 c1cnn(c1)[*:1] CC[C@@H](N[C@@H](C)c1cccc(c1)[*:1])C(=O)Nc1cc(C)on1
CCOC(=O)[C@H](C)NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 CC(C)[*:1] CCOC(=O)[C@H](C)NC(=O)N1CCC[C@@H]1c1cc(no1)[*:1]
CCOC(=O)[C@H](C)NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 CCOC(=O)[*:1] CC(C)c1cc(on1)[C@H]1CCCN1C(=O)N[C@@H](C)[*:1]
CCOC(=O)[C@H](C)NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 CCOC(=O)[C@H](C)[*:1] CC(C)c1cc(on1)[C@H]1CCCN1C(=O)N[*:1]
C=C(C)COc1ccccc1NCC(=O)NC1CCCCC1 C=C(C)CO[*:1] O=C(CNc1ccccc1[*:1])NC1CCCCC1
C=C(C)COc1ccccc1NCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C=C(C)COc1ccccc1NCC(=O)N[*:1]
C=C(C)COc1ccccc1NCC(=O)NC1CCCCC1 C=C(C)[*:1] O=C(CNc1ccccc1OC[*:1])NC1CCCCC1
C=C(C)COc1ccccc1NCC(=O)NC1CCCCC1 C=C(C)C[*:1] O=C(CNc1ccccc1O[*:1])NC1CCCCC1
C[C@H](NC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)N[C@@H](C)[*:1]
C[C@H](NC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C)CC1)c1ccc(Cl)s1 C[C@H]1C[C@@H]1[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)[*:1])c1ccc(Cl)s1
CCCCc1nnc(NC(=O)c2cccnc2Sc2ccccc2)s1 CCC[*:1] O=C(Nc1nnc(C[*:1])s1)c1cccnc1Sc1ccccc1
CCCCc1nnc(NC(=O)c2cccnc2Sc2ccccc2)s1 c1ccc(cc1)S[*:1] CCCCc1nnc(NC(=O)c2cccnc2[*:1])s1
CCCCc1nnc(NC(=O)c2cccnc2Sc2ccccc2)s1 CCCC[*:1] O=C(Nc1nnc(s1)[*:1])c1cccnc1Sc1ccccc1
CCCCc1nnc(NC(=O)c2cccnc2Sc2ccccc2)s1 c1ccc(cc1)[*:1] CCCCc1nnc(NC(=O)c2cccnc2S[*:1])s1
CC(N[C@H](C)c1ccccc1C)=C1C(=O)N(C)C(=O)N(C)C1=O Cc1ccccc1[*:1] CC(N[C@H](C)[*:1])=C1C(=O)N(C)C(=O)N(C)C1=O
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(o1)-c1ccccc1[N+](=O)[O-])[*:1]
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(o1)-c1ccccc1[*:1])c1ccc(F)cc1
COc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
COc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NC[C@H](N1CCOCC1)[*:1]
CCC[NH+]1C[C@@H](C)C[C@H](C)C1 CCC[*:1] C[C@H]1C[C@H](C)C[NH+](C1)[*:1]
Cc1cccc(-c2nnc(NC(=O)c3cc(C)n(C(C)C)n3)o2)c1 Cc1cccc(c1)[*:1] Cc1cc(nn1C(C)C)C(=O)Nc1nnc(o1)[*:1]
Cc1cccc(-c2nnc(NC(=O)c3cc(C)n(C(C)C)n3)o2)c1 CC(C)[*:1] Cc1cccc(c1)-c1nnc(NC(=O)c2cc(C)n(n2)[*:1])o1
CC(=O)Nc1c(N)cc2c3c(cccc13)C(=O)c1ccccc1-2 CC(=O)N[*:1] Nc1cc2-c3ccccc3C(=O)c3cccc(c1[*:1])c32
CCOc1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1 CC(=O)N[*:1] CCOc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C[*:1]
CCOc1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1 CCO[*:1] CC(=O)NCc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1 CC(=O)NC[*:1] CCOc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c(C)c1 O[C@]1(CCOC1)[*:1] Cc1cc(C)c(c(C)c1)[C@H](C)[NH2+]C[*:1]
CCOC(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OC CCOC(=O)N[*:1] CCc1ccc(cc1)-c1csc(c1C(=O)OC)[*:1]
CCOC(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OC COC(=O)[*:1] CCOC(=O)Nc1scc(-c2ccc(cc2)CC)c1[*:1]
CCCn1c(Sc2cncc(C(N)=O)n2)nc2cc(Cl)ccc21 NC(=O)[*:1] CCCn1c(nc2cc(Cl)ccc21)Sc1cncc(n1)[*:1]
CCCn1c(Sc2cncc(C(N)=O)n2)nc2cc(Cl)ccc21 CCC[*:1] NC(=O)c1cncc(n1)Sc1nc2cc(Cl)ccc2n1[*:1]
CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(=O)n2CC(=O)NCc2ccco2)CC1 O=C(C[*:1])NCc1ccco1 CC1CC[NH+](CC1)Cc1nc2scc(-c3cccs3)c2c(=O)n1[*:1]
CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(=O)n2CC(=O)NCc2ccco2)CC1 O=C(NCc1ccco1)[*:1] CC1CC[NH+](CC1)Cc1nc2scc(-c3cccs3)c2c(=O)n1C[*:1]
CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(=O)n2CC(=O)NCc2ccco2)CC1 c1coc(c1)C[*:1] CC1CC[NH+](CC1)Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)N[*:1]
CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(=O)n2CC(=O)NCc2ccco2)CC1 c1csc(c1)[*:1] CC1CC[NH+](CC1)Cc1nc2scc(c2c(=O)n1CC(=O)NCc1ccco1)[*:1]
CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(=O)n2CC(=O)NCc2ccco2)CC1 c1coc(c1)[*:1] CC1CC[NH+](CC1)Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)NC[*:1]
Cn1cc(CNC(=O)[C@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)cn1 Cn1cc(cn1)[*:1] O=C(NC[*:1])[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
COCCN1CCC[C@](O)(CN2CCN(c3nc(C)cc(C)n3)CC2)C1=O COC[*:1] Cc1cc(C)nc(n1)N1CCN(CC1)C[C@@]1(O)CCCN(C[*:1])C1=O
COCCN1CCC[C@](O)(CN2CCN(c3nc(C)cc(C)n3)CC2)C1=O Cc1cc(C)nc(n1)[*:1] COCCN1CCC[C@](O)(CN2CCN(CC2)[*:1])C1=O
COCCN1CCC[C@](O)(CN2CCN(c3nc(C)cc(C)n3)CC2)C1=O COCC[*:1] Cc1cc(C)nc(n1)N1CCN(CC1)C[C@@]1(O)CCCN(C1=O)[*:1]
O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1cccc(F)c1 Clc1ccc(cc1)[*:1] O=C(COC(=O)C1CCN(CC1)C(=O)[*:1])Nc1cccc(F)c1
O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(COC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1)N[*:1]
Cn1cc(NC(=O)/C=C/c2ccc(F)cc2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(NC(=O)/C=C/c2ccc(F)cc2)c(n1)[*:1]
Cn1cc(NC(=O)/C=C/c2ccc(F)cc2)c(-c2ccccc2)n1 Fc1ccc(cc1)[*:1] Cn1cc(NC(=O)C=C[*:1])c(n1)-c1ccccc1
Cc1ccc[nH+]c1N1CCN(C(=O)CCn2nc(C)c(C)c2C)CC1 Cc1nn(c(C)c1C)[*:1] Cc1ccc[nH+]c1N1CCN(CC1)C(=O)CC[*:1]
CC(=O)N(C)CC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 CC(=O)N(C)C[*:1] O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)[*:1]
CC(=O)N(C)CC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 Clc1ccc(cc1)[*:1] CC(=O)N(C)CC(=O)NC[C@H](n1cccn1)[*:1]
CC(=O)N(C)CC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 c1cnn(c1)[*:1] CC(=O)N(C)CC(=O)NC[C@H](c1ccc(Cl)cc1)[*:1]
CC(=O)N(C)CC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 CC(=O)N(C)[*:1] O=C(C[*:1])NC[C@H](c1ccc(Cl)cc1)n1cccn1
C=CCn1c(SCC(=O)NC2CCCCCC2)nc2sccc2c1=O C=CC[*:1] O=C(CSc1nc2sccc2c(=O)n1[*:1])NC1CCCCCC1
C=CCn1c(SCC(=O)NC2CCCCCC2)nc2sccc2c1=O C1CCCC(CC1)[*:1] C=CCn1c(nc2sccc2c1=O)SCC(=O)N[*:1]
C[C@H]([NH2+][C@H](C)[C@@H](C)CO)c1ccccc1N(C)C CN(C)[*:1] C[C@H]([NH2+][C@H](C)[C@@H](C)CO)c1ccccc1[*:1]
C[C@H]([NH2+][C@H](C)[C@@H](C)CO)c1ccccc1N(C)C C[C@@H](CO)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1ccccc1N(C)C
COCCN1C(=O)N[C@](C)(c2ccco2)C1=O COC[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccco1
COCCN1C(=O)N[C@](C)(c2ccco2)C1=O c1coc(c1)[*:1] COCCN1C(=O)N[C@](C)(C1=O)[*:1]
COCCN1C(=O)N[C@](C)(c2ccco2)C1=O COCC[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])c1ccco1
C[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] C[C@@H]1CCCC[C@H]1CNC(=O)C(=O)N[*:1]
C[C@@H](SCCOc1cccc(Cl)c1)C(N)=O C[C@@H](C(N)=O)[*:1] Clc1cccc(c1)OCCS[*:1]
C[C@@H](SCCOc1cccc(Cl)c1)C(N)=O NC(=O)[*:1] C[C@@H](SCCOc1cccc(Cl)c1)[*:1]
C[C@H]1CCc2c(sc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2C(N)=O)C1 NC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)Cc1cccc(c1)C(F)(F)F)c2[*:1]
C[C@H]1CCc2c(sc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2C(N)=O)C1 FC(F)(F)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)Cc1cccc(c1)[*:1])c2C(N)=O
Cc1noc(C)c1CC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 Cc1noc(C)c1[*:1] O=C(C[*:1])N[C@H]1C[C@H]2CCCc3cccc1c32
CCCC[C@@H]([NH2+]C(C)C)[C@@H]1CCO[C@]2(CCSC2)C1 CCC[*:1] CC(C)[NH2+][C@H](C[*:1])[C@@H]1CCO[C@]2(CCSC2)C1
CCCC[C@@H]([NH2+]C(C)C)[C@@H]1CCO[C@]2(CCSC2)C1 CCCC[*:1] CC(C)[NH2+][C@@H]([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCCC[C@@H]([NH2+]C(C)C)[C@@H]1CCO[C@]2(CCSC2)C1 CC(C)[*:1] CCCC[C@@H]([NH2+][*:1])[C@@H]1CCO[C@]2(CCSC2)C1
C[C@@H]1Cc2ccccc2N(CCCCCCS)C1 SCCCC[*:1] C[C@@H]1Cc2ccccc2N(CC[*:1])C1
C[C@@H]1Cc2ccccc2N(CCCCCCS)C1 SCCCCC[*:1] C[C@@H]1Cc2ccccc2N(C1)C[*:1]
C[C@@H]1Cc2ccccc2N(CCCCCCS)C1 SCCC[*:1] C[C@@H]1Cc2ccccc2N(CCC[*:1])C1
C[C@@H]1Cc2ccccc2N(CCCCCCS)C1 SCC[*:1] C[C@@H]1Cc2ccccc2N(CCCC[*:1])C1
O=C(Cc1ccccc1)NCc1noc(-c2cccs2)n1 c1ccc(cc1)C[*:1] O=C(NCc1noc(n1)-c1cccs1)[*:1]
O=C(Cc1ccccc1)NCc1noc(-c2cccs2)n1 c1ccc(cc1)[*:1] O=C(C[*:1])NCc1noc(n1)-c1cccs1
O=C(Cc1ccccc1)NCc1noc(-c2cccs2)n1 c1csc(c1)[*:1] O=C(Cc1ccccc1)NCc1noc(n1)[*:1]
N#Cc1cc(NCc2[nH]c(-c3ccccc3)c[nH+]2)nc2ccccc12 c1ccc(cc1)[*:1] N#Cc1cc(nc2ccccc12)NCc1[nH]c(c[nH+]1)[*:1]
O=C([O-])[C@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 O=C([O-])[*:1] C1CC[C@H]2[NH2+][C@H](CC[C@@H]2C1)[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ccc(c(F)c2)N(C)C(C)C)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c1C1CC1 CC(C)[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ccc(c(F)c2)N(C)[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c1C1CC1 CC(C)N(C)[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ccc(c(F)c2)[*:1])c1C1CC1
C[C@H](O)c1cc[nH+]c(N2CCN(CC(C)(C)O)CC2)c1 CC(C)(O)[*:1] C[C@H](O)c1cc[nH+]c(c1)N1CCN(CC1)C[*:1]
C[C@H](O)c1cc[nH+]c(N2CCN(CC(C)(C)O)CC2)c1 CC(C)(O)C[*:1] C[C@H](O)c1cc[nH+]c(c1)N1CCN(CC1)[*:1]
C[C@H](O)c1cc[nH+]c(N2CCN(CC(C)(C)O)CC2)c1 C[C@H](O)[*:1] CC(C)(O)CN1CCN(CC1)c1cc(cc[nH+]1)[*:1]
Cc1ccc2nc(C)cc(C(=O)N(C)Cc3ccccc3)c2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(C)cc(C(=O)N(C)C[*:1])c2c1
Cc1ccc2nc(C)cc(C(=O)N(C)Cc3ccccc3)c2c1 c1ccc(cc1)C[*:1] Cc1ccc2nc(C)cc(C(=O)N(C)[*:1])c2c1
O=C(/C=C/c1cccc2ccccc12)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 O=C(/C=C/c1cccc2ccccc12)NC(=S)Nc1cccc(c1)[*:1]
O=C(/C=C/c1cccc2ccccc12)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] O=C(/C=C/c1cccc2ccccc12)NC(=S)Nc1cccc(c1)NC(=O)[*:1]
O=C(/C=C/c1cccc2ccccc12)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 c1ccc2c(cccc2c1)[*:1] O=C(C=C[*:1])NC(=S)Nc1cccc(c1)NC(=O)c1ccco1
CC(C)(C)OC(=O)N(CCNC(=O)N1CCC([NH+]2CCCC2)CC1)C1CC1 CC(C)(C)[*:1] O=C(NCCN(C(=O)O[*:1])C1CC1)N1CCC(CC1)[NH+]1CCCC1
CC(C)(C)OC(=O)N(CCNC(=O)N1CCC([NH+]2CCCC2)CC1)C1CC1 C1CC1[*:1] CC(C)(C)OC(=O)N(CCNC(=O)N1CCC(CC1)[NH+]1CCCC1)[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OC Cc1ccc(C)c(c1)[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])cc(Cl)c1OC
Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cc4ccccc4o3)CC2)c1 c1ccc2oc(cc2c1)[*:1] Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)CCCNC(=O)[*:1]
Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cc4ccccc4o3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCCCS(=O)(=O)N1CCN(CC1)[*:1])c1cc2ccccc2o1
Cc1cccc(S(=O)(=O)NCC[C@@H](O)c2ccoc2)c1 c1cc(co1)[*:1] Cc1cccc(c1)S(=O)(=O)NCC[C@@H](O)[*:1]
CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N[C@@H](C)COC)c3N2)cc1 COC[C@H](C)[*:1] CCc1ccc(cc1)[C@H]1C[C@H](n2ncc(C(=O)N[*:1])c2N1)C(F)(F)F
CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N[C@@H](C)COC)c3N2)cc1 COC[*:1] CCc1ccc(cc1)[C@H]1C[C@H](n2ncc(C(=O)N[C@@H](C)[*:1])c2N1)C(F)(F)F
CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N[C@@H](C)COC)c3N2)cc1 CCc1ccc(cc1)[*:1] COC[C@H](C)NC(=O)c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)[*:1]
CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N[C@@H](C)COC)c3N2)cc1 COC[C@H](C)NC(=O)[*:1] CCc1ccc(cc1)[C@H]1C[C@H](n2ncc(c2N1)[*:1])C(F)(F)F
CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N[C@@H](C)COC)c3N2)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)[C@H]1C[C@@H](n2ncc(C(=O)N[C@@H](C)COC)c2N1)[*:1]
C[C@H]1CN(C(=O)c2cccc3[nH]ccc23)C[C@H](c2ccc(F)cc2)O1 Fc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])C(=O)c1cccc2[nH]ccc12
COC(=O)CCN(Cc1ccncc1)C(=O)c1cc2cc(C)c(C)cc2o1 c1cc(ccn1)[*:1] COC(=O)CCN(C[*:1])C(=O)c1cc2cc(C)c(C)cc2o1
COC(=O)CCN(Cc1ccncc1)C(=O)c1cc2cc(C)c(C)cc2o1 COC(=O)CC[*:1] Cc1cc2cc(oc2cc1C)C(=O)N(Cc1ccncc1)[*:1]
COC(=O)CCN(Cc1ccncc1)C(=O)c1cc2cc(C)c(C)cc2o1 COC(=O)[*:1] Cc1cc2cc(oc2cc1C)C(=O)N(CC[*:1])Cc1ccncc1
COC(=O)CCN(Cc1ccncc1)C(=O)c1cc2cc(C)c(C)cc2o1 COC(=O)C[*:1] Cc1cc2cc(oc2cc1C)C(=O)N(Cc1ccncc1)C[*:1]
COC(=O)CCN(Cc1ccncc1)C(=O)c1cc2cc(C)c(C)cc2o1 c1cc(ccn1)C[*:1] COC(=O)CCN(C(=O)c1cc2cc(C)c(C)cc2o1)[*:1]
Cc1cccc(S(=O)(=O)c2cn(C)c3cc(N4C[C@H](C)C[C@@H](C)C4)c(F)cc3c2=O)c1 Cc1cccc(c1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1cc2c(cc1F)c(=O)c(cn2C)S(=O)(=O)[*:1]
Cc1cccc(S(=O)(=O)c2cn(C)c3cc(N4C[C@H](C)C[C@@H](C)C4)c(F)cc3c2=O)c1 Cc1cccc(c1)S(=O)(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1cc2c(cc1F)c(=O)c(cn2C)[*:1]
COc1cc(C#N)ccc1OCCOc1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1cc(C#N)ccc1OCCO[*:1]
CCOC(=O)c1cc(-c2ccc(C)c([N+](=O)[O-])c2)nc2c1c(C)nn2CCC#N N#CC[*:1] CCOC(=O)c1cc(nc2c1c(C)nn2C[*:1])-c1ccc(C)c(c1)[N+](=O)[O-]
CCOC(=O)c1cc(-c2ccc(C)c([N+](=O)[O-])c2)nc2c1c(C)nn2CCC#N CCOC(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])-c1cc(c2c(C)nn(CCC#N)c2n1)[*:1]
CCOC(=O)c1cc(-c2ccc(C)c([N+](=O)[O-])c2)nc2c1c(C)nn2CCC#N O=[N+]([O-])[*:1] CCOC(=O)c1cc(nc2c1c(C)nn2CCC#N)-c1ccc(C)c(c1)[*:1]
CCOC(=O)c1cc(-c2ccc(C)c([N+](=O)[O-])c2)nc2c1c(C)nn2CCC#N N#CCC[*:1] CCOC(=O)c1cc(nc2c1c(C)nn2[*:1])-c1ccc(C)c(c1)[N+](=O)[O-]
COc1cc2c(cc1OC)CN(Cc1ccccc1Cl)CC2 Clc1ccccc1[*:1] COc1cc2CCN(Cc2cc1OC)C[*:1]
O=C(NN1CCOCC1)c1cc(-c2ccncc2)nc2ccccc12 c1cc(ccn1)[*:1] O=C(NN1CCOCC1)c1cc(nc2ccccc12)[*:1]
C=CCN1C(=O)[C@@H](CC(=O)c2ccc(OC)cc2)S/C1=N\c1ccc(F)cc1 C=CC[*:1] COc1ccc(cc1)C(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)N(C1=O)[*:1]
C=CCN1C(=O)[C@@H](CC(=O)c2ccc(OC)cc2)S/C1=N\c1ccc(F)cc1 COc1ccc(cc1)[*:1] C=CCN1C(=O)[C@@H](CC(=O)[*:1])S/C1=N\c1ccc(F)cc1
C=CCN1C(=O)[C@@H](CC(=O)c2ccc(OC)cc2)S/C1=N\c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCN1C(=O)[C@@H](CC(=O)c2ccc(cc2)OC)SC1=N[*:1]
CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)C(C)C)O2 CC(=O)[*:1] CC(C)C(=O)NC[C@@H]1Cc2cc(ccc2O1)-c1ccccc1[*:1]
CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)C(C)C)O2 CC(C)C(=O)N[*:1] CC(=O)c1ccccc1-c1ccc2O[C@@H](Cc2c1)C[*:1]
CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)C(C)C)O2 CC(C)[*:1] CC(=O)c1ccccc1-c1ccc2O[C@H](CNC(=O)[*:1])Cc2c1
CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)C(C)C)O2 CC(C)C(=O)NC[*:1] CC(=O)c1ccccc1-c1ccc2O[C@H](Cc2c1)[*:1]
C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)/C=C/c1ccc(cc1)[*:1]
C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] C[C@@H]([C@H](O)[*:1])N(C)C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O[C@H](c1ccccc1)[*:1] C[C@@H](N(C)C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)(CO)NC(=O)c1cccc(C(F)(F)F)c1F CC(C)(CO)[*:1] O=C(N[*:1])c1cccc(c1F)C(F)(F)F
CC(C)(CO)NC(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] CC(C)(CO)NC(=O)c1cccc(c1F)[*:1]
Cc1nn(C)c(C[C@@H](O)c2ncc[nH]2)c1Br c1c[nH]c(n1)[*:1] Cc1nn(C)c(C[C@@H](O)[*:1])c1Br
CCOC(=O)C[NH2+]C[C@@H]1CSc2ccccc21 CCOC(=O)[*:1] c1ccc2c(c1)SC[C@H]2C[NH2+]C[*:1]
CCCCCNC(=O)NNC(=O)c1cccc(-n2cccn2)n1 c1cnn(c1)[*:1] CCCCCNC(=O)NNC(=O)c1cccc(n1)[*:1]
CCCCCNC(=O)NNC(=O)c1cccc(-n2cccn2)n1 CCCCC[*:1] O=C(NNC(=O)c1cccc(n1)-n1cccn1)N[*:1]
CCCCCNC(=O)NNC(=O)c1cccc(-n2cccn2)n1 CCC[*:1] O=C(NCC[*:1])NNC(=O)c1cccc(n1)-n1cccn1
CCCCCNC(=O)NNC(=O)c1cccc(-n2cccn2)n1 CCCC[*:1] O=C(NC[*:1])NNC(=O)c1cccc(n1)-n1cccn1
Cc1cc(C)cc(C2=CCN(C(=O)c3ncoc3[C@H]3CCCO3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(c1ncoc1[C@H]1CCCO1)N1CC=C(CC1)[*:1]
NC(=S)c1c(F)cccc1N[C@@H]1CCCc2ccccc21 NC(=S)[*:1] Fc1cccc(N[C@@H]2CCCc3ccccc32)c1[*:1]
CC[C@@H](C(C)=O)[C@@H]1CCO[C@]2(CCSC2)C1 CC(=O)[*:1] CC[C@@H]([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCc1cnc(NC(=O)N[C@H](CO)c2ccc(Cl)cc2)s1 CCc1cnc(s1)[*:1] O=C(N[C@H](CO)c1ccc(Cl)cc1)N[*:1]
CCc1cnc(NC(=O)N[C@H](CO)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCc1cnc(NC(=O)N[C@H](CO)[*:1])s1
Cc1ccc(C)c(C(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cc1coc2cc3CCCc3cc12)OCC(=O)[*:1]
O=C(N[C@H](c1cccs1)C1CCCC1)[C@@H]1CCCN(c2cnccn2)C1 c1csc(c1)[*:1] O=C(N[C@H](C1CCCC1)[*:1])[C@@H]1CCCN(C1)c1cnccn1
O=C(N[C@H](c1cccs1)C1CCCC1)[C@@H]1CCCN(c2cnccn2)C1 c1cnc(cn1)[*:1] O=C(N[C@H](c1cccs1)C1CCCC1)[C@@H]1CCCN(C1)[*:1]
O=C(N[C@H](c1cccs1)C1CCCC1)[C@@H]1CCCN(c2cnccn2)C1 C1CCC(C1)[*:1] O=C(N[C@H](c1cccs1)[*:1])[C@@H]1CCCN(C1)c1cnccn1
Brc1ccccc1CSc1nnnn1C1CC1 C1CC1[*:1] Brc1ccccc1CSc1nnnn1[*:1]
CCc1n[nH]c([C@@H]2CN(C(=O)c3ccc4c(c3)nnn4C)CCO2)n1 CCc1n[nH]c(n1)[*:1] Cn1nnc2cc(ccc21)C(=O)N1CCO[C@@H](C1)[*:1]
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 Cc1ccc(cc1)NC(=O)C[*:1] O=C1NCCN(C(=O)C[NH+]2CCN(CC2)c2ccccc2F)[C@H]1[*:1]
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(CC1)c1ccccc1F)N[*:1]
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C1NCCN(C(=O)C[NH+]2CCN(CC2)c2ccccc2F)[C@H]1C[*:1]
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(CC1)[*:1]
C[NH+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 Fc1ccc(cc1)[*:1] C[NH+](CC(=O)N[*:1])Cc1ccc(cc1)C(=O)Nc1ccccc1
C[NH+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 O=C(Nc1ccccc1)[*:1] C[NH+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(cc1)[*:1]
C[NH+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(cc1)C(=O)N[*:1]
CCC(=O)Nc1cccc(C(=O)[C@H](C#N)c2ccc(F)cn2)c1 Fc1ccc(nc1)[*:1] CCC(=O)Nc1cccc(c1)C(=O)[C@H](C#N)[*:1]
CCC(=O)Nc1cccc(C(=O)[C@H](C#N)c2ccc(F)cn2)c1 CCC(=O)N[*:1] N#C[C@@H](C(=O)c1cccc(c1)[*:1])c1ccc(F)cn1
Cc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)on1 Cc1cc(on1)[*:1] O=C(Nc1nnc(o1)-c1ccc2OCCOc2c1)[*:1]
Cc1cccc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)C(C)(C)C)c1 N#CC[*:1] Cc1cccc(c1)[C@@H](NC(=O)Cc1cccc(c1)O[*:1])C(C)(C)C
Cc1cccc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)C(C)(C)C)c1 N#CCO[*:1] Cc1cccc(c1)[C@@H](NC(=O)Cc1cccc(c1)[*:1])C(C)(C)C
Cc1cccc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@@H](NC(=O)Cc1cccc(c1)OCC#N)[*:1]
Cc1cccc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)C(C)(C)C)c1 Cc1cccc(c1)[*:1] CC(C)(C)[C@H](NC(=O)Cc1cccc(c1)OCC#N)[*:1]
CC(C)(C)[C@H]1C=CCN1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])N1CC=C[C@@H]1[*:1]
CCCCNC(=O)CN1C(=O)C[C@H](C)Sc2ccc(S(=O)(=O)N3CCCCC3)cc21 CCCC[*:1] C[C@H]1CC(=O)N(CC(=O)N[*:1])c2cc(ccc2S1)S(=O)(=O)N1CCCCC1
CCCCNC(=O)CN1C(=O)C[C@H](C)Sc2ccc(S(=O)(=O)N3CCCCC3)cc21 CCCCNC(=O)C[*:1] C[C@H]1CC(=O)N(c2cc(ccc2S1)S(=O)(=O)N1CCCCC1)[*:1]
CCCCNC(=O)CN1C(=O)C[C@H](C)Sc2ccc(S(=O)(=O)N3CCCCC3)cc21 CCCCNC(=O)[*:1] C[C@H]1CC(=O)N(C[*:1])c2cc(ccc2S1)S(=O)(=O)N1CCCCC1
CCCCNC(=O)CN1C(=O)C[C@H](C)Sc2ccc(S(=O)(=O)N3CCCCC3)cc21 CCC[*:1] C[C@H]1CC(=O)N(CC(=O)NC[*:1])c2cc(ccc2S1)S(=O)(=O)N1CCCCC1
CCCCNC(=O)CN1C(=O)C[C@H](C)Sc2ccc(S(=O)(=O)N3CCCCC3)cc21 O=S(=O)(N1CCCCC1)[*:1] CCCCNC(=O)CN1C(=O)C[C@H](C)Sc2ccc(cc21)[*:1]
Cc1nc([C@@H]2CCCN(C(=O)Cn3c(C)cc4ccccc43)C2)no1 Cc1nc(no1)[*:1] Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](C1)[*:1]
O=C(NCCc1cccc2cccnc12)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(NCCc1cccc2cccnc12)NC[C@@H]1CCCN(C1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(N)=O)c2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)C(N)=O
Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(N)=O)c2)c1 NC(=O)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C(=O)NCc2cc(-c3cccs3)on2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1cc(on1)-c1cccs1)[*:1]
Cc1ccc(C(=O)NCc2cc(-c3cccs3)on2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)C(=O)NCc1cc(on1)[*:1]
CC(=O)Oc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 CC(=O)O[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)c1cccc(c1)[*:1]
CC(=O)Oc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 c1ccc2[nH]c(nc2c1)[*:1] CC(=O)Oc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CCn1c(S[C@@H](C)C(=O)NC(C)C)nnc1-c1ccc(Cl)cc1 CC(C)[*:1] CCn1c(nnc1-c1ccc(Cl)cc1)S[C@@H](C)C(=O)N[*:1]
CCn1c(S[C@@H](C)C(=O)NC(C)C)nnc1-c1ccc(Cl)cc1 CC(C)NC(=O)[*:1] CCn1c(nnc1-c1ccc(Cl)cc1)S[C@@H](C)[*:1]
CCn1c(S[C@@H](C)C(=O)NC(C)C)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCn1c(nnc1[*:1])S[C@@H](C)C(=O)NC(C)C
CCN(C[C@H]1CCOC1)C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 COc1ccc(cc1)[*:1] CCN(C[C@H]1CCOC1)C(=O)c1cc(C)n(n1)[*:1]
CSCC[C@@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] CSCC[C@@H]([NH3+])c1nc(no1)-c1cccc(c1)[*:1]
CSCC[C@@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)no1 CSCC[*:1] [NH3+][C@@H](c1nc(no1)-c1cccc(c1)C(F)(F)F)[*:1]
CSCC[C@@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)no1 CSC[*:1] [NH3+][C@H](C[*:1])c1nc(no1)-c1cccc(c1)C(F)(F)F
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@@H]1CCC(=O)O1 O=C1CC[C@H](O1)[*:1] C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[*:1]
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@@H]1CCC(=O)O1 Clc1ccc(cc1)[*:1] C[C@H]([C@@H](C)[*:1])N(C)C(=O)[C@@H]1CCC(=O)O1
CC(C)c1ccc([C@@H]2[C@@H](C(N)=O)[C@@H](C)Nc3ncnn32)cc1 CC(C)[*:1] C[C@H]1Nc2ncnn2[C@H](c2ccc(cc2)[*:1])[C@H]1C(N)=O
CC(C)c1ccc([C@@H]2[C@@H](C(N)=O)[C@@H](C)Nc3ncnn32)cc1 NC(=O)[*:1] CC(C)c1ccc(cc1)[C@@H]1[C@@H]([C@@H](C)Nc2ncnn21)[*:1]
CN(CCc1cn[nH]c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 c1n[nH]cc1CC[*:1] CN(C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)C1CCCCCC1)O2)[*:1]
CN(CCc1cn[nH]c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 c1n[nH]cc1[*:1] CN(CC[*:1])C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)C1CCCCCC1)O2
CN(CCc1cn[nH]c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 C1CCCC(CC1)[*:1] CN(CCc1cn[nH]c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
CN(CCc1cn[nH]c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 c1n[nH]cc1C[*:1] CN(C[*:1])C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)C1CCCCCC1)O2
COCCN(C)C(=O)c1cc(-c2ccc(C)cc2)no1 COCC[*:1] Cc1ccc(cc1)-c1cc(on1)C(=O)N(C)[*:1]
COCCN(C)C(=O)c1cc(-c2ccc(C)cc2)no1 COC[*:1] Cc1ccc(cc1)-c1cc(on1)C(=O)N(C)C[*:1]
COC[C@H](NC(=O)N[C@@H]1CCC[C@H]1C)c1ccc(F)c(F)c1 COC[*:1] C[C@@H]1CCC[C@H]1NC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
COC[C@H](NC(=O)N[C@@H]1CCC[C@H]1C)c1ccc(F)c(F)c1 C[C@@H]1CCC[C@H]1[*:1] COC[C@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCCOC2=O)cc1 C1CC1[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(cc1)N1CCCOC1=O
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCCOC2=O)cc1 O=C1OCCCN1[*:1] O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(cc1)[*:1]
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCCOC2=O)cc1 O=C(NC1CC1)[*:1] O=C1OCCCN1c1ccc(cc1)C(=O)N1Cc2ccccc2C[C@H]1[*:1]
O=C1CS[C@@H](c2ccc(Br)cc2)N1c1ccccn1 c1ccc(nc1)[*:1] O=C1CS[C@@H](c2ccc(Br)cc2)N1[*:1]
Cc1ccc2c(CN(C)[C@H]3CCCC[C@@H]3S(C)(=O)=O)cc(=O)oc2c1 CS(=O)(=O)[*:1] Cc1ccc2c(cc(=O)oc2c1)CN(C)[C@H]1CCCC[C@H]1[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)c2ccc[nH]c2=O)C1 O=c1[nH]cccc1[*:1] CC(C)CN1CCO[C@@H](CNC(=O)[*:1])C1
CC(C)CN1CCO[C@@H](CNC(=O)c2ccc[nH]c2=O)C1 CC(C)C[*:1] O=C(NC[C@H]1CN(CCO1)[*:1])c1ccc[nH]c1=O
CC(C)CN1CCO[C@@H](CNC(=O)c2ccc[nH]c2=O)C1 CC(C)[*:1] O=C(NC[C@H]1CN(CCO1)C[*:1])c1ccc[nH]c1=O
CC(C)[C@H](C)[NH2+][C@H](C)C(=O)N1CCN(c2ccccc2)CC1 CC(C)[*:1] C[C@H]([NH2+][C@H](C)C(=O)N1CCN(CC1)c1ccccc1)[*:1]
CC(C)[C@H](C)[NH2+][C@H](C)C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@H](C)[NH2+][C@H](C)C(=O)N1CCN(CC1)[*:1]
NC(=O)CONC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 NC(=O)C[*:1] O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NO[*:1]
NC(=O)CONC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 NC(=O)[*:1] O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NOC[*:1]
Cc1ccc(O)c(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1 Cc1ccc(O)c(c1)[*:1] O=C(NNS(=O)(=O)[*:1])c1cc2CCCCCc2s1
Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)N(C)CC[NH+](C)C1CCN(C)CC1)[*:1]
Cc1ccc(F)cc1/C([O-])=N/S(=O)(=O)c1ccc2c(c1)OCCO2 Cc1ccc(F)cc1[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1ccc2OCCOc2c1
COCCCN(C(=O)Cc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 Brc1ccc(cc1)[*:1] COCCCN(C(=O)C[*:1])[C@H]1CCS(=O)(=O)C1
COCCCN(C(=O)Cc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 COC[*:1] O=C(Cc1ccc(Br)cc1)N(CC[*:1])[C@H]1CCS(=O)(=O)C1
COCCCN(C(=O)Cc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 COCC[*:1] O=C(Cc1ccc(Br)cc1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COCCCN(C(=O)Cc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 COCCC[*:1] O=C(Cc1ccc(Br)cc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCn1c2cc(C)oc2c2cnn(Cc3ccccc3C(F)(F)F)c(=O)c21 FC(F)(F)[*:1] CCn1c2cc(C)oc2c2cnn(Cc3ccccc3[*:1])c(=O)c21
CCc1nn(C)cc1C(=O)OCC(=O)N(C)[C@H]1CCCc2ccccc21 CCc1nn(C)cc1[*:1] CN(C(=O)COC(=O)[*:1])[C@H]1CCCc2ccccc21
Cc1cccc(Nc2nc(C(=O)NCc3ccncc3)cs2)n1 c1cc(ccn1)[*:1] Cc1cccc(n1)Nc1nc(cs1)C(=O)NC[*:1]
Cc1cccc(Nc2nc(C(=O)NCc3ccncc3)cs2)n1 c1cc(ccn1)C[*:1] Cc1cccc(n1)Nc1nc(cs1)C(=O)N[*:1]
Cc1cccc(Nc2nc(C(=O)NCc3ccncc3)cs2)n1 Cc1cccc(n1)[*:1] O=C(NCc1ccncc1)c1csc(n1)N[*:1]
CNC(=O)c1cn[nH]c1[C@@H]1CCCN1c1nc(C)cc(C)n1 CNC(=O)[*:1] Cc1cc(C)nc(n1)N1CCC[C@H]1c1[nH]ncc1[*:1]
CO[C@@]1(C)C[C@@H](N(C)C(=O)NCCC(F)(F)F)C1(C)C FC(F)(F)CC[*:1] CO[C@@]1(C)C[C@@H](N(C)C(=O)N[*:1])C1(C)C
CO[C@@]1(C)C[C@@H](N(C)C(=O)NCCC(F)(F)F)C1(C)C FC(F)(F)[*:1] CO[C@@]1(C)C[C@@H](N(C)C(=O)NCC[*:1])C1(C)C
CO[C@@]1(C)C[C@@H](N(C)C(=O)NCCC(F)(F)F)C1(C)C FC(F)(F)C[*:1] CO[C@@]1(C)C[C@@H](N(C)C(=O)NC[*:1])C1(C)C
CC[C@@H](CO)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 CC[C@@H](CO)[*:1] C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(CC1)[*:1]
CCC[NH2+]Cc1cnn([C@H]2CCOC3(CCOCC3)C2)c1 CCC[*:1] c1nn(cc1C[NH2+][*:1])[C@H]1CCOC2(CCOCC2)C1
CC[C@H](Nc1cccc(OC)c1)C(=O)NCc1cnc(C)cn1 Cc1cnc(cn1)[*:1] CC[C@H](Nc1cccc(c1)OC)C(=O)NC[*:1]
CN(C)C(=O)c1cc(NC(=O)NC[C@@H]2CCC[C@@H](O)C2)ccc1F CN(C)C(=O)[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)Nc1ccc(F)c(c1)[*:1]
NC(=O)Cc1ccccc1NC(=O)CCOc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] NC(=O)Cc1ccccc1NC(=O)CCO[*:1]
NC(=O)Cc1ccccc1NC(=O)CCOc1ccc(Cl)cc1Cl NC(=O)[*:1] O=C(CCOc1ccc(Cl)cc1Cl)Nc1ccccc1C[*:1]
NC(=O)Cc1ccccc1NC(=O)CCOc1ccc(Cl)cc1Cl NC(=O)C[*:1] O=C(CCOc1ccc(Cl)cc1Cl)Nc1ccccc1[*:1]
Cc1cc(C)c2c(c1)OCC[C@H]2[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] Cc1cc(C)c2c(c1)OCC[C@H]2[NH2+][C@H]1CC(=O)N(C1)[*:1]
Cn1nc(-c2ccccc2)c(CN2CCN3C(=O)NC[C@H]3C2)c1Cl c1ccc(cc1)[*:1] Cn1nc(c(CN2CCN3C(=O)NC[C@H]3C2)c1Cl)[*:1]
CC[C@H]1CCCN(C(=O)Nc2cccc(OCC(=O)N(CC)CC)c2)C1 CCN(CC)C(=O)C[*:1] CC[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)O[*:1]
CC[C@H]1CCCN(C(=O)Nc2cccc(OCC(=O)N(CC)CC)c2)C1 CCN(CC)C(=O)[*:1] CC[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)OC[*:1]
COC(=O)CCCNC(=O)c1cc(Cl)c(Cl)n1C COC(=O)CC[*:1] Cn1c(cc(Cl)c1Cl)C(=O)NC[*:1]
COC(=O)CCCNC(=O)c1cc(Cl)c(Cl)n1C COC(=O)C[*:1] Cn1c(cc(Cl)c1Cl)C(=O)NCC[*:1]
COC(=O)CCCNC(=O)c1cc(Cl)c(Cl)n1C COC(=O)[*:1] Cn1c(cc(Cl)c1Cl)C(=O)NCCC[*:1]
Cc1cc(C(=O)N2CC[NH+](C3CCC(C(C)(C)C)CC3)CC2)on1 Cc1cc(on1)[*:1] CC(C)(C)C1CCC(CC1)[NH+]1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CC[NH+](C3CCC(C(C)(C)C)CC3)CC2)on1 CC(C)(C)[*:1] Cc1cc(on1)C(=O)N1CC[NH+](CC1)C1CCC(CC1)[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCn1cnc2ccccc2c1=O Cc1cc(Br)ccc1[*:1] CN(CC(=O)N[*:1])C(=O)CCn1cnc2ccccc2c1=O
COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NC[C@@H]3CCCO3)=C2)cc1OC C1CO[C@@H](C1)[*:1] COc1ccc(cc1OC)C1C=C(C(=O)NC[*:1])N(C)S(=O)(=O)N=1
Cn1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Cl)cc3s2)n1 Cn1ccc(n1)[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2ccc(Cl)cc2s1
Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cc1OCC(F)F FC(F)CO[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CC[C@H](C)[C@@H](O)C1
Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cc1OCC(F)F FC(F)C[*:1] Cc1ccc(cc1O[*:1])NC(=O)N1CC[C@H](C)[C@@H](O)C1
Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cc1OCC(F)F FC(F)[*:1] Cc1ccc(cc1OC[*:1])NC(=O)N1CC[C@H](C)[C@@H](O)C1
Cc1cnn([C@H](C)[C@@H](C)[NH2+]CC(=O)N2CCO[C@H](C)C2)c1 Cc1cnn(c1)[*:1] C[C@@H]1CN(CCO1)C(=O)C[NH2+][C@H](C)[C@@H](C)[*:1]
O=C1Nc2ccccc2O[C@@H]1CC(=O)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1Nc2ccccc2O[C@@H]1CC(=O)N(Cc1ccccc1)[*:1]
O=C1Nc2ccccc2O[C@@H]1CC(=O)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C1Nc2ccccc2O[C@@H]1CC(=O)N(Cc1ccccc1)C[*:1]
Cc1cccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(C(F)(F)F)cc3)C2=O)c1 Cc1cccc(c1)O[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)C[*:1])C1=O)c1ccc(cc1)C(F)(F)F
Cc1cccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(C(F)(F)F)cc3)C2=O)c1 FC(F)(F)c1ccc(cc1)[*:1] Cc1cccc(c1)OC[C@H](O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1cccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(C(F)(F)F)cc3)C2=O)c1 FC(F)(F)[*:1] Cc1cccc(c1)OC[C@H](O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(cc1)[*:1]
Cc1cccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(C(F)(F)F)cc3)C2=O)c1 Cc1cccc(c1)OC[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)[*:1])C1=O)c1ccc(cc1)C(F)(F)F
Cc1cccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(C(F)(F)F)cc3)C2=O)c1 Cc1cccc(c1)[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)CO[*:1])C1=O)c1ccc(cc1)C(F)(F)F
C[C@H]([NH2+]CC[C@@H]1CCOC1)[C@@H]1CCCO1 C1C[C@H](CO1)[*:1] C[C@H]([NH2+]CC[*:1])[C@@H]1CCCO1
C[C@H]([NH2+]CC[C@@H]1CCOC1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H]([NH2+]CC[C@@H]1CCOC1)[*:1]
CC[C@](C)(NC(=O)c1cccc2ncccc12)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)c1cccc2ncccc12)[*:1]
COc1ccccc1[C@H]([NH2+]Cc1cnc(N2CCOCC2)nc1)C(C)(C)C CC(C)(C)[*:1] COc1ccccc1[C@H]([NH2+]Cc1cnc(nc1)N1CCOCC1)[*:1]
COc1ccccc1[C@H]([NH2+]Cc1cnc(N2CCOCC2)nc1)C(C)(C)C C1CN(CCO1)[*:1] COc1ccccc1[C@H]([NH2+]Cc1cnc(nc1)[*:1])C(C)(C)C
COc1ccccc1[C@H]([NH2+]Cc1cnc(N2CCOCC2)nc1)C(C)(C)C COc1ccccc1[*:1] CC(C)(C)[C@@H]([NH2+]Cc1cnc(nc1)N1CCOCC1)[*:1]
C/C=C(\C)C(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1 CC=C(C)[*:1] COc1cc(cc(c1)OC)CN1CCN(CC1)C(=O)[*:1]
CCOC(=O)c1ccn(-c2cccc(NC(=O)CC3(O)CCCC3)c2)n1 OC1(CCCC1)[*:1] CCOC(=O)c1ccn(n1)-c1cccc(c1)NC(=O)C[*:1]
CCOC(=O)c1ccn(-c2cccc(NC(=O)CC3(O)CCCC3)c2)n1 OC1(CCCC1)C[*:1] CCOC(=O)c1ccn(n1)-c1cccc(c1)NC(=O)[*:1]
CCOC(=O)c1ccn(-c2cccc(NC(=O)CC3(O)CCCC3)c2)n1 CCOC(=O)[*:1] O=C(CC1(O)CCCC1)Nc1cccc(c1)-n1ccc(n1)[*:1]
COC(=O)CN1CCN(S(=O)(=O)C[C@H](C)CCl)CC1 COC(=O)[*:1] C[C@H](CCl)CS(=O)(=O)N1CCN(CC1)C[*:1]
COC(=O)CN1CCN(S(=O)(=O)C[C@H](C)CCl)CC1 COC(=O)C[*:1] C[C@H](CCl)CS(=O)(=O)N1CCN(CC1)[*:1]
CCOc1cc(C)ccc1CNC(=O)Nc1cn(C)nc1CC CCO[*:1] CCc1nn(C)cc1NC(=O)NCc1ccc(C)cc1[*:1]
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)c1c(ncn3nc(-c4cccs4)nc13)O2 c1csc(c1)[*:1] Cc1nn(-c2ccccc2)c2Oc3ncn4nc(nc4c3[C@H](c3cccnc3)c12)[*:1]
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)c1c(ncn3nc(-c4cccs4)nc13)O2 c1ccc(cc1)[*:1] Cc1nn(c2Oc3ncn4nc(nc4c3[C@H](c3cccnc3)c12)-c1cccs1)[*:1]
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)c1c(ncn3nc(-c4cccs4)nc13)O2 c1cncc(c1)[*:1] Cc1nn(-c2ccccc2)c2Oc3ncn4nc(nc4c3[C@H](c12)[*:1])-c1cccs1
O=C1c2ccccc2C(=O)N1CCSCCc1ccncc1 c1cc(ccn1)[*:1] O=C1c2ccccc2C(=O)N1CCSCC[*:1]
O=C1c2ccccc2C(=O)N1CCSCCc1ccncc1 c1cc(ccn1)C[*:1] O=C1c2ccccc2C(=O)N1CCSC[*:1]
COc1cn(CC(=O)Nc2ccc(C)cc2)c(CSc2ncccn2)cc1=O c1cnc(nc1)SC[*:1] COc1cn(CC(=O)Nc2ccc(C)cc2)c(cc1=O)[*:1]
COc1cn(CC(=O)Nc2ccc(C)cc2)c(CSc2ncccn2)cc1=O Cc1ccc(cc1)[*:1] COc1cn(CC(=O)N[*:1])c(cc1=O)CSc1ncccn1
COc1cn(CC(=O)Nc2ccc(C)cc2)c(CSc2ncccn2)cc1=O c1cnc(nc1)[*:1] COc1cn(CC(=O)Nc2ccc(C)cc2)c(cc1=O)CS[*:1]
COc1cn(CC(=O)Nc2ccc(C)cc2)c(CSc2ncccn2)cc1=O c1cnc(nc1)S[*:1] COc1cn(CC(=O)Nc2ccc(C)cc2)c(cc1=O)C[*:1]
Cn1c(=O)oc2cc(S(=O)(=O)N3CC(c4ccccn4)C3)ccc21 c1ccc(nc1)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CC(C1)[*:1]
CC/[NH+]=C(/NC[C@@H]1CCC[C@@H]1O)N1CCC2(CCCCC2)C1 O[C@H]1CCC[C@H]1[*:1] CC/[NH+]=C(/NC[*:1])N1CCC2(CCCCC2)C1
COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCOCC2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)[C@H]1Nn2c(nnc2[*:1])S[C@H]1C(=O)N1CCOCC1
COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCOCC2)cc1Cl O=C(N1CCOCC1)[*:1] COc1ccc(cc1Cl)[C@H]1Nn2c(nnc2-c2ccccc2)S[C@@H]1[*:1]
COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCOCC2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C([C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1[*:1])N1CCOCC1
COCC[NH+]1CCc2nc(SCc3ccc(F)cc3Cl)nc([O-])c2C1 Fc1ccc(c(Cl)c1)[*:1] COCC[NH+]1CCc2nc(nc([O-])c2C1)SC[*:1]
COCC[NH+]1CCc2nc(SCc3ccc(F)cc3Cl)nc([O-])c2C1 COC[*:1] [O-]c1nc(nc2CC[NH+](Cc12)C[*:1])SCc1ccc(F)cc1Cl
COCC[NH+]1CCc2nc(SCc3ccc(F)cc3Cl)nc([O-])c2C1 COCC[*:1] [O-]c1nc(nc2CC[NH+](Cc12)[*:1])SCc1ccc(F)cc1Cl
CN(C)c1cc(CNC(=O)NCc2ccco2)c2ccccc2[nH+]1 c1coc(c1)[*:1] CN(C)c1cc(CNC(=O)NC[*:1])c2ccccc2[nH+]1
CN(C)c1cc(CNC(=O)NCc2ccco2)c2ccccc2[nH+]1 c1coc(c1)C[*:1] CN(C)c1cc(CNC(=O)N[*:1])c2ccccc2[nH+]1
CN(C)c1cc(CNC(=O)NCc2ccco2)c2ccccc2[nH+]1 CN(C)[*:1] O=C(NCc1ccco1)NCc1cc([nH+]c2ccccc12)[*:1]
CCOc1ccc(N(CCC#N)C(=O)c2ccoc2C)cc1 CCO[*:1] Cc1occc1C(=O)N(CCC#N)c1ccc(cc1)[*:1]
CCOc1ccc(N(CCC#N)C(=O)c2ccoc2C)cc1 N#CC[*:1] CCOc1ccc(cc1)N(C[*:1])C(=O)c1ccoc1C
CCOc1ccc(N(CCC#N)C(=O)c2ccoc2C)cc1 Cc1occc1[*:1] CCOc1ccc(cc1)N(CCC#N)C(=O)[*:1]
CCOc1ccc(N(CCC#N)C(=O)c2ccoc2C)cc1 N#CCC[*:1] CCOc1ccc(cc1)N(C(=O)c1ccoc1C)[*:1]
OCCSc1nc(-c2ccccc2)cs1 OCCS[*:1] c1ccc(cc1)-c1csc(n1)[*:1]
OCCSc1nc(-c2ccccc2)cs1 OCC[*:1] c1ccc(cc1)-c1csc(n1)S[*:1]
C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]ncc3c2)C1 C[C@@H]1C[C@H]1NC(=O)[*:1] O=C(c1ccc2[nH]ncc2c1)N1CCC[C@H](C1)[*:1]
COc1ccsc1C(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O COc1ccsc1[*:1] O=C1CCCC[C@H]1[C@H]1CCCN1C(=O)[*:1]
COc1ccsc1C(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O O=C1CCCC[C@H]1[*:1] COc1ccsc1C(=O)N1CCC[C@H]1[*:1]
COc1ccc(OC)c(NC(=O)COc2cc(-c3ccccc3)nc3ccccc23)c1 COc1ccc(OC)c(c1)[*:1] O=C(COc1cc(nc2ccccc12)-c1ccccc1)N[*:1]
COc1ccc(OC)c(NC(=O)COc2cc(-c3ccccc3)nc3ccccc23)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)COc1cc(nc2ccccc12)[*:1]
COC(=O)CS[C@@H](Cl)C(F)(F)F COC(=O)[*:1] FC(F)(F)[C@H](Cl)SC[*:1]
COC(=O)CS[C@@H](Cl)C(F)(F)F FC(F)(F)[*:1] COC(=O)CS[C@@H](Cl)[*:1]
N#Cc1c(NCc2ccccc2)nc(N2CCOCC2)c2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] N#Cc1c(nc(c2CN(CCc12)Cc1ccccc1)N1CCOCC1)NC[*:1]
N#Cc1c(NCc2ccccc2)nc(N2CCOCC2)c2c1CCN(Cc1ccccc1)C2 C1CN(CCO1)[*:1] N#Cc1c(nc(c2CN(CCc12)Cc1ccccc1)[*:1])NCc1ccccc1
N#Cc1c(NCc2ccccc2)nc(N2CCOCC2)c2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] N#Cc1c(nc(c2CN(CCc12)Cc1ccccc1)N1CCOCC1)N[*:1]
N#Cc1c(NCc2ccccc2)nc(N2CCOCC2)c2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)CN[*:1] N#Cc1c(nc(c2CN(CCc12)Cc1ccccc1)N1CCOCC1)[*:1]
N#Cc1c(NCc2ccccc2)nc(N2CCOCC2)c2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] N#Cc1c(nc(c2CN(CCc12)C[*:1])N1CCOCC1)NCc1ccccc1
N#Cc1c(NCc2ccccc2)nc(N2CCOCC2)c2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] N#Cc1c(nc(c2CN(CCc12)[*:1])N1CCOCC1)NCc1ccccc1
C=CCN(CCc1ccccc1)c1c(C#N)c(=O)n(C)c(=O)n1C c1ccc(cc1)CC[*:1] C=CCN(c1c(C#N)c(=O)n(C)c(=O)n1C)[*:1]
C=CCN(CCc1ccccc1)c1c(C#N)c(=O)n(C)c(=O)n1C c1ccc(cc1)C[*:1] C=CCN(C[*:1])c1c(C#N)c(=O)n(C)c(=O)n1C
C=CCN(CCc1ccccc1)c1c(C#N)c(=O)n(C)c(=O)n1C c1ccc(cc1)[*:1] C=CCN(CC[*:1])c1c(C#N)c(=O)n(C)c(=O)n1C
C=CCN(CCc1ccccc1)c1c(C#N)c(=O)n(C)c(=O)n1C C=CC[*:1] Cn1c(c(C#N)c(=O)n(C)c1=O)N(CCc1ccccc1)[*:1]
Cc1csc([C@@H](NC(=O)N[C@H]2CCCc3ccc(F)cc32)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
Cc1csc([C@@H](NC(=O)N[C@H]2CCCc3ccc(F)cc32)C2CC2)n1 Cc1csc(n1)[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)N[C@@H](C1CC1)[*:1]
C[C@@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C[C@@H](C)O1 O=C([O-])[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)N[C@H]([C@@H](C)O)[*:1]
C[C@@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C[C@@H](C)O1 C[C@@H](O)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
COc1ncccc1C(=O)N1CCN(C[C@H](O)c2cccs2)CC1 c1csc(c1)[*:1] COc1ncccc1C(=O)N1CCN(CC1)C[C@H](O)[*:1]
COc1ncccc1C(=O)N1CCN(C[C@H](O)c2cccs2)CC1 COc1ncccc1[*:1] O=C(N1CCN(CC1)C[C@H](O)c1cccs1)[*:1]
COc1ncccc1C(=O)N1CCN(C[C@H](O)c2cccs2)CC1 O[C@@H](C[*:1])c1cccs1 COc1ncccc1C(=O)N1CCN(CC1)[*:1]
O=C(c1csnn1)N1CCCCC[C@@H]1c1ccco1 c1snnc1[*:1] O=C(N1CCCCC[C@@H]1c1ccco1)[*:1]
O=C(c1csnn1)N1CCCCC[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(c1csnn1)N1CCCCC[C@H]1[*:1]
CC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 CC(=O)c1cccc(c1)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)c1ccc(F)cc1
CC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1CCN(CC1)c1ccc(F)cc1
CC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)C(=O)N1CCN(CC1)[*:1]
CC[C@]([NH3+])(c1sccc1C)C(C)C CC(C)[*:1] CC[C@]([NH3+])(c1sccc1C)[*:1]
C[C@H](C[C@H]1CCCO1)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O C1CO[C@H](C1)[*:1] C[C@H](C[*:1])[NH2+][C@@H]1CCN(C1=O)c1ccc(Cl)c(F)c1
C[C@H](C[C@H]1CCCO1)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O C1CO[C@H](C1)C[*:1] C[C@H]([NH2+][C@@H]1CCN(C1=O)c1ccc(Cl)c(F)c1)[*:1]
O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 O=C([O-])c1ccccc1[*:1] O=C(Cc1ccccc1)Nc1cccc(c1)C(=O)N[*:1]
O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 O=C([O-])[*:1] O=C(Cc1ccccc1)Nc1cccc(c1)C(=O)Nc1ccccc1[*:1]
O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)Nc1ccccc1C(=O)[O-]
O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1C(=O)[O-])c1cccc(c1)NC(=O)[*:1]
CCOC(=O)c1ccc(N2C(=O)c3ccc(Oc4cccc(N)c4)cc3C2=O)cc1 Nc1cccc(c1)[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)O[*:1]
CCOC(=O)c1ccc(N2C(=O)c3ccc(Oc4cccc(N)c4)cc3C2=O)cc1 CCOC(=O)[*:1] Nc1cccc(c1)Oc1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(N2C(=O)c3ccc(Oc4cccc(N)c4)cc3C2=O)cc1 Nc1cccc(c1)O[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[*:1]
COCc1cc([N+](=O)[O-])ccc1NC[C@](C)(O)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] COCc1cc(ccc1NC[C@](C)(O)[*:1])[N+](=O)[O-]
COCc1cc([N+](=O)[O-])ccc1NC[C@](C)(O)c1cc(C)oc1C COC[*:1] Cc1cc(c(C)o1)[C@@](C)(O)CNc1ccc(cc1[*:1])[N+](=O)[O-]
COCc1cc([N+](=O)[O-])ccc1NC[C@](C)(O)c1cc(C)oc1C O=[N+]([O-])[*:1] COCc1cc(ccc1NC[C@](C)(O)c1cc(C)oc1C)[*:1]
COc1cccc(-c2cc(C(=O)N3CCN(C(=O)[C@@H]4C[C@@H]4c4ccccc4)CC3)[nH]n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1cc([nH]n1)C(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
COc1cccc(-c2cc(C(=O)N3CCN(C(=O)[C@@H]4C[C@@H]4c4ccccc4)CC3)[nH]n2)c1 COc1cccc(c1)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1
O=C(Cc1ccc(Cl)cc1)NC[C@](O)(c1ccccc1)C(F)(F)F Clc1ccc(cc1)[*:1] O=C(C[*:1])NC[C@](O)(c1ccccc1)C(F)(F)F
O=C(Cc1ccc(Cl)cc1)NC[C@](O)(c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] O=C(Cc1ccc(Cl)cc1)NC[C@](O)(C(F)(F)F)[*:1]
O=C(Cc1ccc(Cl)cc1)NC[C@](O)(c1ccccc1)C(F)(F)F Clc1ccc(cc1)C[*:1] O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[*:1]
O=C(Cc1ccc(Cl)cc1)NC[C@](O)(c1ccccc1)C(F)(F)F FC(F)(F)[*:1] O=C(Cc1ccc(Cl)cc1)NC[C@](O)(c1ccccc1)[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 CS(=O)(=O)C[*:1] C[C@H](NC(=O)C1(CCOCC1)c1ccc(F)cc1F)[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 Fc1ccc(c(F)c1)[*:1] C[C@H](CS(C)(=O)=O)NC(=O)C1(CCOCC1)[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 CS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)C1(CCOCC1)c1ccc(F)cc1F
O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COc1ccc2nc3CCCCCn3c(=O)c2c1)NCC[*:1]
O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1ccc(F)cc1 Fc1ccc(cc1)CC[*:1] O=C(COc1ccc2nc3CCCCCn3c(=O)c2c1)N[*:1]
O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(COc1ccc2nc3CCCCCn3c(=O)c2c1)NC[*:1]
Nc1ccc(S(=O)(=O)NS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Nc1ccc(cc1)S(=O)(=O)NS(=O)(=O)[*:1]
O=C1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N1 c1ccc(cc1)[*:1] O=C1CC[C@H](COC(c2ccccc2)(c2ccccc2)[*:1])N1
CCC[NH2+]Cc1sc(-c2ccccc2)nc1C CCC[*:1] Cc1nc(sc1C[NH2+][*:1])-c1ccccc1
CC(C)c1c(C(=O)NCC2([NH+]3CCOCC3)CCCC2)cnn1-c1nccc(-c2cccs2)n1 CC(C)[*:1] O=C(NCC1(CCCC1)[NH+]1CCOCC1)c1cnn(-c2nccc(n2)-c2cccs2)c1[*:1]
CC(C)c1c(C(=O)NCC2([NH+]3CCOCC3)CCCC2)cnn1-c1nccc(-c2cccs2)n1 c1csc(c1)-c1ccnc(n1)[*:1] CC(C)c1c(cnn1[*:1])C(=O)NCC1(CCCC1)[NH+]1CCOCC1
CC(C)c1c(C(=O)NCC2([NH+]3CCOCC3)CCCC2)cnn1-c1nccc(-c2cccs2)n1 c1csc(c1)[*:1] CC(C)c1c(cnn1-c1nccc(n1)[*:1])C(=O)NCC1(CCCC1)[NH+]1CCOCC1
[NH3+][C@@H](CC[C@@H]1CCCO1)c1ccc(Cl)c2ccccc12 C1CO[C@@H](C1)C[*:1] [NH3+][C@@H](C[*:1])c1ccc(Cl)c2ccccc12
[NH3+][C@@H](CC[C@@H]1CCCO1)c1ccc(Cl)c2ccccc12 C1CO[C@@H](C1)[*:1] [NH3+][C@@H](CC[*:1])c1ccc(Cl)c2ccccc12
CCOC(=O)c1ccc(CN2C(=O)CCC2=O)o1 CCOC(=O)[*:1] O=C1CCC(=O)N1Cc1ccc(o1)[*:1]
CCOC(=O)CSc1nnc2c3c4c(sc3nc(C)n12)C[C@@H](C)CC4 CCOC(=O)C[*:1] Cc1nc2sc3C[C@@H](C)CCc3c2c2nnc(S[*:1])n12
CCOC(=O)CSc1nnc2c3c4c(sc3nc(C)n12)C[C@@H](C)CC4 CCOC(=O)[*:1] Cc1nc2sc3C[C@@H](C)CCc3c2c2nnc(SC[*:1])n12
CCOC(=O)CSc1nnc2c3c4c(sc3nc(C)n12)C[C@@H](C)CC4 CCOC(=O)CS[*:1] Cc1nc2sc3C[C@@H](C)CCc3c2c2nnc(n12)[*:1]
O=C(Nc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(Nc1nc2cc(ccc2s1)[N+](=O)[O-])c1ccc(o1)[*:1]
O=C(Nc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(Nc1nc2cc(ccc2s1)[*:1])c1ccc(o1)[N+](=O)[O-]
O=C(NCc1nnc2n1CCCCC2)N[C@H](c1ccccc1)C1CCCC1 C1CCC(C1)[*:1] O=C(NCc1nnc2CCCCCn21)N[C@H](c1ccccc1)[*:1]
O=C(NCc1nnc2n1CCCCC2)N[C@H](c1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] O=C(NCc1nnc2CCCCCn21)N[C@H](C1CCCC1)[*:1]
COCCn1ccc2ccc(NC(=O)c3cnn(-c4ccccc4)c3)cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)c1cnn(c1)-c1ccccc1
COCCn1ccc2ccc(NC(=O)c3cnn(-c4ccccc4)c3)cc21 c1ccc(cc1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)c1cnn(c1)[*:1]
COCCn1ccc2ccc(NC(=O)c3cnn(-c4ccccc4)c3)cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])c1cnn(c1)-c1ccccc1
C[C@H](NC(=O)Nc1ccc(-n2cncn2)nc1)[C@@H]1CCCO1 c1ncn(n1)[*:1] C[C@H](NC(=O)Nc1ccc(nc1)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)Nc1ccc(-n2cncn2)nc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)Nc1ccc(nc1)-n1cncn1)[*:1]
Cc1ccc([C@]2(Cc3cccc(F)c3)NC(N)=NC2=O)o1 Fc1cccc(c1)[*:1] Cc1ccc(o1)[C@]1(C[*:1])NC(N)=NC1=O
Cc1ccc([C@]2(Cc3cccc(F)c3)NC(N)=NC2=O)o1 Cc1ccc(o1)[*:1] NC1=NC(=O)[C@](Cc2cccc(F)c2)(N1)[*:1]
C/C(=N\NC(=O)CCC(=O)Nc1cccc(Cl)c1C)C1CC1 C1CC1[*:1] CC(=NNC(=O)CCC(=O)Nc1cccc(Cl)c1C)[*:1]
CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)Cc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)C[*:1]
CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)Cc1ccc(F)cc1F CC(C)[*:1] CN(Cc1ccc(F)cc1F)C(=O)NCc1ccccc1C[NH+](C)[*:1]
CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)Cc1ccc(F)cc1F Fc1ccc(C[*:1])c(F)c1 CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[*:1]
CC(C)(C)OC(=O)NCC1CC[NH2+]CC1 CC(C)(C)[*:1] O=C(NCC1CC[NH2+]CC1)O[*:1]
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 O=S(=O)(N1CCCCC1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1
Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4cc(Br)ccc4[nH]3)C2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2cc(Br)ccc2[nH]1
Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4cc(Br)ccc4[nH]3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nc2cc(Br)ccc2[nH]1
CCCCOC(=O)[C@@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O CCCC[*:1] C[C@H](C(=O)O[*:1])n1cnc2sc(cc2c1=O)-c1ccccc1
CCCCOC(=O)[C@@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O CCC[*:1] C[C@H](C(=O)OC[*:1])n1cnc2sc(cc2c1=O)-c1ccccc1
CCCCOC(=O)[C@@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O CCCCOC(=O)[*:1] C[C@@H](n1cnc2sc(cc2c1=O)-c1ccccc1)[*:1]
CCCCOC(=O)[C@@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O c1ccc(cc1)[*:1] CCCCOC(=O)[C@@H](C)n1cnc2sc(cc2c1=O)[*:1]
CCN(CC1CC1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 C1CC1C[*:1] CCN(C(=O)C1(CCCC1)NC(=O)NCc1ccccc1)[*:1]
CCN(CC1CC1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 C1CC1[*:1] CCN(C[*:1])C(=O)C1(CCCC1)NC(=O)NCc1ccccc1
CCN(CC1CC1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 c1ccc(cc1)C[*:1] CCN(CC1CC1)C(=O)C1(CCCC1)NC(=O)N[*:1]
CCN(CC1CC1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 c1ccc(cc1)[*:1] CCN(CC1CC1)C(=O)C1(CCCC1)NC(=O)NC[*:1]
CCc1cnc(CN(C)S(=O)(=O)c2ccc(C)c(C)c2)s1 CCc1cnc(s1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N(C)C[*:1]
O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCN(c2ccccc2)CC1 Clc1cccc(c1)C[*:1] O=C(C1CC[NH+](CC1)[*:1])N1CCN(CC1)c1ccccc1
O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C1CC[NH+](CC1)Cc1cccc(Cl)c1)N1CCN(CC1)[*:1]
O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCN(c2ccccc2)CC1 Clc1cccc(c1)[*:1] O=C(C1CC[NH+](CC1)C[*:1])N1CCN(CC1)c1ccccc1
COc1ccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)cc1Cl NC(=O)[*:1] COc1ccc(cc1Cl)-n1c(nc2ccccc2c1=O)SC[*:1]
COc1ccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)cc1Cl NC(=O)CS[*:1] COc1ccc(cc1Cl)-n1c(nc2ccccc2c1=O)[*:1]
COc1ccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)cc1Cl NC(=O)C[*:1] COc1ccc(cc1Cl)-n1c(nc2ccccc2c1=O)S[*:1]
CC[C@H](C)n1ncc(C(=O)N2CCO[C@@H](c3cccs3)C2)c1C1CC1 CC[C@H](C)[*:1] O=C(c1cnn(c1C1CC1)[*:1])N1CCO[C@H](C1)c1cccs1
CC[C@H](C)n1ncc(C(=O)N2CCO[C@@H](c3cccs3)C2)c1C1CC1 c1csc(c1)[*:1] CC[C@H](C)n1ncc(C(=O)N2CCO[C@@H](C2)[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)N2CCO[C@@H](c3cccs3)C2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)N2CCO[C@H](C2)c2cccs2)c1[*:1]
CC(C)CNC(=O)[C@@H](C)SCc1coc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CC(C)CNC(=O)[C@@H](C)SCc1coc(n1)[*:1]
CC(C)CNC(=O)[C@@H](C)SCc1coc(-c2ccc(Cl)cc2)n1 CC(C)CNC(=O)[*:1] C[C@@H](SCc1coc(n1)-c1ccc(Cl)cc1)[*:1]
CC(C)CNC(=O)[C@@H](C)SCc1coc(-c2ccc(Cl)cc2)n1 CC(C)[*:1] C[C@@H](SCc1coc(n1)-c1ccc(Cl)cc1)C(=O)NC[*:1]
CC(C)CNC(=O)[C@@H](C)SCc1coc(-c2ccc(Cl)cc2)n1 CC(C)C[*:1] C[C@@H](SCc1coc(n1)-c1ccc(Cl)cc1)C(=O)N[*:1]
CC(C)C(=O)N1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(=O)C(C)C CC(C)[*:1] CC(C)C(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(C(=O)[*:1])c1ccccc12
CC(C)C(=O)N1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(=O)C(C)C CC(C)[*:1] CC(C)C(=O)N1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(=O)[*:1]
COc1ccc(C)cc1CN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] COc1ccc(C)cc1CN1CCN(CC1)S(=O)(=O)[*:1]
C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)[*:1]
CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2C)c1 CC(=O)N[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nnc(-c2cccc(c2)[*:1])n1C
CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2C)c1 CC(=O)Nc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)[*:1]
CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2C)c1 CC(=O)[*:1] CC(=O)Nc1cccc(c1)-c1nnc(SCC(=O)Nc2ccc(cc2)[*:1])n1C
CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2C)c1 CC(=O)c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)-c1nnc(SCC(=O)N[*:1])n1C
CCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 CCC[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1cccc(c1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
CCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 CCCNC(=O)[*:1] O=C(c1cccc(c1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1[*:1]
CCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Clc1ccc(cc1Cl)[*:1] CCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)NS(=O)(=O)[*:1]
Cc1nn(C)c(C)c1CNC[C@H](c1cccs1)[NH+]1CCCC1 c1csc(c1)[*:1] Cc1nn(C)c(C)c1CNC[C@H]([NH+]1CCCC1)[*:1]
CC(C)NC(=O)CCS(=O)(=O)Cc1ccc(F)cc1 CC(C)NC(=O)[*:1] O=S(=O)(CC[*:1])Cc1ccc(F)cc1
CC(C)NC(=O)CCS(=O)(=O)Cc1ccc(F)cc1 CC(C)[*:1] O=C(CCS(=O)(=O)Cc1ccc(F)cc1)N[*:1]
C[C@H](NC(=O)N(C)CC(=O)N1CCOCC1)c1nc2ccccc2[nH]1 O=C(N1CCOCC1)[*:1] C[C@H](NC(=O)N(C)C[*:1])c1nc2ccccc2[nH]1
COc1ccc(S(=O)(=O)/N=C(/N)NCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)S(=O)(=O)/N=C(/N)NC[*:1]
COc1ccc(S(=O)(=O)/N=C(/N)NCCc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)/N=C(/N)NCC[*:1]
COc1ccccc1Cn1ccnc1SCC(=O)Nc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] COc1ccccc1Cn1ccnc1SCC(=O)N[*:1]
COc1ccccc1Cn1ccnc1SCC(=O)Nc1cc(C)cc(C)c1 COc1ccccc1C[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nccn1[*:1]
COc1ccccc1Cn1ccnc1SCC(=O)Nc1cc(C)cc(C)c1 COc1ccccc1[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nccn1C[*:1]
CSCC(=O)NNC(=O)NCCC1Cc2ccccc2C1 CSC[*:1] O=C(NCCC1Cc2ccccc2C1)NNC(=O)[*:1]
COc1ccc2o/c(=[NH+]\c3ccccc3)c(C(=O)NC(C)=O)cc2c1 CC(=O)NC(=O)[*:1] COc1ccc2o/c(=[NH+]\c3ccccc3)c(cc2c1)[*:1]
COc1ccc2o/c(=[NH+]\c3ccccc3)c(C(=O)NC(C)=O)cc2c1 c1ccc(cc1)[*:1] COc1ccc2oc(=[NH+][*:1])c(cc2c1)C(=O)NC(C)=O
CCn1cc(CN2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1C#N Fc1ccc(cc1)[*:1] CCn1cc(cc1C#N)CN1CCC[NH+](CC1)C[*:1]
CCn1cc(CN2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1C#N Fc1ccc(cc1)C[*:1] CCn1cc(cc1C#N)CN1CCC[NH+](CC1)[*:1]
CNC(=O)Cn1cnc(NC(=O)[C@H](c2c(F)cccc2F)N(C)C)n1 CNC(=O)C[*:1] CN(C)[C@H](C(=O)Nc1ncn(n1)[*:1])c1c(F)cccc1F
CNC(=O)Cn1cnc(NC(=O)[C@H](c2c(F)cccc2F)N(C)C)n1 CN(C)[*:1] CNC(=O)Cn1cnc(n1)NC(=O)[C@H](c1c(F)cccc1F)[*:1]
CNC(=O)Cn1cnc(NC(=O)[C@H](c2c(F)cccc2F)N(C)C)n1 CNC(=O)[*:1] CN(C)[C@H](C(=O)Nc1ncn(C[*:1])n1)c1c(F)cccc1F
CNC(=O)Cn1cnc(NC(=O)[C@H](c2c(F)cccc2F)N(C)C)n1 Fc1cccc(F)c1[*:1] CNC(=O)Cn1cnc(n1)NC(=O)[C@H](N(C)C)[*:1]
COCC(=O)NCCS(=O)(=O)N1CCc2cc(OC)ccc2C1 COCC(=O)N[*:1] COc1ccc2CN(CCc2c1)S(=O)(=O)CC[*:1]
COCC(=O)NCCS(=O)(=O)N1CCc2cc(OC)ccc2C1 COC[*:1] COc1ccc2CN(CCc2c1)S(=O)(=O)CCNC(=O)[*:1]
COCC(=O)NCCS(=O)(=O)N1CCc2cc(OC)ccc2C1 COCC(=O)NC[*:1] COc1ccc2CN(CCc2c1)S(=O)(=O)C[*:1]
COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1Cl
COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 Clc1ccccc1[*:1] COc1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)[C@H]2C)ccc1F CNS(=O)(=O)[*:1] C[C@@H]1CCCN(C(=O)c2ccc(F)c(c2)[*:1])[C@@H]1C
Cc1cccc(NC(=O)N[C@@H](C)c2ccccn2)c1C c1ccc(nc1)[*:1] Cc1cccc(NC(=O)N[C@@H](C)[*:1])c1C
COc1ccc(C[NH+]2CCCN(C(=O)c3ccsc3)CC2)c2ccccc12 c1cc(cs1)[*:1] COc1ccc(C[NH+]2CCCN(CC2)C(=O)[*:1])c2ccccc12
Cc1ccc(C(=O)CSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1C Cc1ccc(cc1C)[*:1] CN1CCN(CC1)S(=O)(=O)c1ccc(nc1)SCC(=O)[*:1]
C[C@@H](O)CCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br C[C@@H](O)[*:1] O=C(CC[*:1])Nc1cc2[nH]c(=O)[nH]c2cc1Br
C[C@@H](O)CCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br C[C@@H](O)C[*:1] O=C(C[*:1])Nc1cc2[nH]c(=O)[nH]c2cc1Br
C[C@@H](O)CCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br C[C@@H](O)CC[*:1] O=C(Nc1cc2[nH]c(=O)[nH]c2cc1Br)[*:1]
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)[NH+]3CCN(CCO)CC3)c([O-])n2n1 O=[N+]([O-])[*:1] CCc1nc2sc(c([O-])n2n1)[C@@H](c1ccc(cc1)[*:1])[NH+]1CCN(CCO)CC1
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)[NH+]3CCN(CCO)CC3)c([O-])n2n1 O=[N+]([O-])c1ccc(cc1)[*:1] CCc1nc2sc(c([O-])n2n1)[C@@H]([NH+]1CCN(CCO)CC1)[*:1]
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)[NH+]3CCN(CCO)CC3)c([O-])n2n1 OCC[*:1] CCc1nc2sc(c([O-])n2n1)[C@@H](c1ccc(cc1)[N+](=O)[O-])[NH+]1CCN(CC1)[*:1]
C[C@H](CN1CCOCC1)[NH2+][C@H]1CCO[C@]2(CCOC2)C1 C1CN(CCO1)[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCO[C@]2(CCOC2)C1
C[NH+](C)[C@H](CNc1cc(-n2cccn2)nc(N)n1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@H](CNc1cc(nc(N)n1)-n1cccn1)[*:1]
C[NH+](C)[C@H](CNc1cc(-n2cccn2)nc(N)n1)C1CCCCC1 c1cnn(c1)[*:1] C[NH+](C)[C@H](CNc1cc(nc(N)n1)[*:1])C1CCCCC1
C[C@H]1C[C@@H](C)CN(C(=O)CCNC(=O)c2cccs2)C1 c1csc(c1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CCNC(=O)[*:1]
C[C@](O)(CNC(=O)CSCc1ccncc1)c1ccc(F)cc1 c1cc(ccn1)C[*:1] C[C@](O)(CNC(=O)CS[*:1])c1ccc(F)cc1
C[C@](O)(CNC(=O)CSCc1ccncc1)c1ccc(F)cc1 c1cc(ccn1)[*:1] C[C@](O)(CNC(=O)CSC[*:1])c1ccc(F)cc1
C[C@](O)(CNC(=O)CSCc1ccncc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)CSCc1ccncc1)[*:1]
Cc1cccc(C[NH+](C)Cc2ccc(C(=O)NN)cn2)n1 Cc1cccc(n1)[*:1] C[NH+](Cc1ccc(cn1)C(=O)NN)C[*:1]
Cc1cccc(C[NH+](C)Cc2ccc(C(=O)NN)cn2)n1 NNC(=O)[*:1] Cc1cccc(C[NH+](C)Cc2ccc(cn2)[*:1])n1
O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1C[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCCc1cc(F)cc2COCOc12)[C@H]1C[C@@H]1[*:1]
CCCc1nn(C)c2c1nc(N)n2CC1C(C)(C)C1(C)C CC1(C)C(C1(C)C)[*:1] CCCc1nn(C)c2c1nc(N)n2C[*:1]
CCCc1nn(C)c2c1nc(N)n2CC1C(C)(C)C1(C)C CCC[*:1] Cn1nc(c2nc(N)n(CC3C(C)(C)C3(C)C)c21)[*:1]
CSCCC(=O)N1C[C@H]2COc3ccccc3C[C@@]2(CO)C1 CSC[*:1] O=C(C[*:1])N1C[C@H]2COc3ccccc3C[C@@]2(CO)C1
CSCCC(=O)N1C[C@H]2COc3ccccc3C[C@@]2(CO)C1 CSCC[*:1] O=C(N1C[C@H]2COc3ccccc3C[C@@]2(CO)C1)[*:1]
Cc1cc(C)c(S(=O)(=O)Oc2ccc(NC(=O)c3ccco3)cc2)c(C)c1 c1coc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)Oc1ccc(cc1)NC(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)Oc2ccc(NC(=O)c3ccco3)cc2)c(C)c1 O=C(N[*:1])c1ccco1 Cc1cc(C)c(c(C)c1)S(=O)(=O)Oc1ccc(cc1)[*:1]
Cc1cc(C)c(S(=O)(=O)Oc2ccc(NC(=O)c3ccco3)cc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(Nc1ccc(cc1)OS(=O)(=O)[*:1])c1ccco1
COc1cccc(CNC(=O)c2nnn(-c3nccs3)c2C)c1 c1csc(n1)[*:1] COc1cccc(c1)CNC(=O)c1nnn(c1C)[*:1]
C[C@@H](Sc1ccccn1)C(=O)NCCCn1ccc2ccccc21 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)NCCCn1ccc2ccccc21
C[C@@H](Sc1ccccn1)C(=O)NCCCn1ccc2ccccc21 c1ccc(nc1)S[*:1] C[C@@H](C(=O)NCCCn1ccc2ccccc21)[*:1]
CCc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 CCc1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)N[*:1]
CCc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 c1coc(c1)C[*:1] CCc1ccc(cc1)NC(=O)C[C@@H]1C(=O)N(c2nc3ccccc3n21)[*:1]
CCc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)NC(=O)C[C@@H]1C(=O)N(C[*:1])c2nc3ccccc3n21
CC(=O)Nc1cc(NC(=O)N[C@H](C)c2ccncc2)ccc1F c1cc(ccn1)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)N[C@H](C)[*:1]
CC(=O)Nc1cc(NC(=O)N[C@H](C)c2ccncc2)ccc1F CC(=O)N[*:1] C[C@@H](NC(=O)Nc1ccc(F)c(c1)[*:1])c1ccncc1
NC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@H]1Cn1cccn1 NC(=O)[*:1] Fc1ccc(cc1)[C@H](N1CCC[C@H]1Cn1cccn1)[*:1]
NC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@H]1Cn1cccn1 c1cnn(c1)C[*:1] NC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@@H]1[*:1]
NC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@H]1Cn1cccn1 c1cnn(c1)[*:1] NC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@H]1C[*:1]
NC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@H]1Cn1cccn1 Fc1ccc(cc1)[*:1] NC(=O)[C@H](N1CCC[C@H]1Cn1cccn1)[*:1]
COC(=O)[C@H](C)[C@H](C)Sc1nc2ccccc2o1 COC(=O)[*:1] C[C@H](Sc1nc2ccccc2o1)[C@@H](C)[*:1]
COC(=O)[C@H](C)[C@H](C)Sc1nc2ccccc2o1 COC(=O)[C@H](C)[*:1] C[C@H](Sc1nc2ccccc2o1)[*:1]
CCCC[C@H]([NH2+]CCC)c1cc(F)c(C)cc1F CCC[*:1] CCC[NH2+][C@@H](C[*:1])c1cc(F)c(C)cc1F
CCCC[C@H]([NH2+]CCC)c1cc(F)c(C)cc1F CCC[*:1] CCCC[C@H]([NH2+][*:1])c1cc(F)c(C)cc1F
CCCC[C@H]([NH2+]CCC)c1cc(F)c(C)cc1F CCCC[*:1] CCC[NH2+][C@H](c1cc(F)c(C)cc1F)[*:1]
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O FC(F)(F)[*:1] C[C@H](Cc1cccc(c1)[*:1])C(=O)N[C@H]1c2ccccc2C[C@H]1O
O=C(COc1ccccc1)NCc1cc(-c2ccc3c(c2)OCCO3)on1 c1ccc(cc1)O[*:1] O=C(C[*:1])NCc1cc(on1)-c1ccc2OCCOc2c1
O=C(COc1ccccc1)NCc1cc(-c2ccc3c(c2)OCCO3)on1 c1ccc(cc1)[*:1] O=C(CO[*:1])NCc1cc(on1)-c1ccc2OCCOc2c1
O=C(COc1ccccc1)NCc1cc(-c2ccc3c(c2)OCCO3)on1 c1ccc(cc1)OC[*:1] O=C(NCc1cc(on1)-c1ccc2OCCOc2c1)[*:1]
CN(C)C(=O)[C@H](NC[C@@H]1CCCO1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](NC[C@@H]1CCCO1)[*:1]
CN(C)C(=O)[C@H](NC[C@@H]1CCCO1)c1ccccc1 CN(C)C(=O)[*:1] c1ccc(cc1)[C@@H](NC[C@@H]1CCCO1)[*:1]
CN(C)C(=O)[C@H](NC[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)C[*:1] CN(C)C(=O)[C@H](N[*:1])c1ccccc1
CN(C)C(=O)[C@H](NC[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)[*:1] CN(C)C(=O)[C@H](NC[*:1])c1ccccc1
CC(C)N1CCO[C@H](C(=O)CC2CCOCC2)C1 CC(C)[*:1] O=C(CC1CCOCC1)[C@@H]1CN(CCO1)[*:1]
CC(C)N1CCO[C@H](C(=O)CC2CCOCC2)C1 C1CC(CCO1)[*:1] CC(C)N1CCO[C@@H](C1)C(=O)C[*:1]
C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccn(c1=O)[*:1]
C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccn(C[*:1])c1=O
CCn1ccnc(NC[C@@H](CC(C)C)[NH+]2CCCC2)c1=O CC(C)C[*:1] CCn1ccnc(NC[C@@H]([NH+]2CCCC2)[*:1])c1=O
CCn1ccnc(NC[C@@H](CC(C)C)[NH+]2CCCC2)c1=O CC(C)[*:1] CCn1ccnc(NC[C@@H](C[*:1])[NH+]2CCCC2)c1=O
Cc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccccc3C(F)(F)F)N2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC1=NC(=O)C[C@@H](N1)C(=O)Nc1ccccc1[*:1]
Cc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccccc3C(F)(F)F)N2)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](NC(=N1)N[*:1])C(=O)Nc1ccccc1C(F)(F)F
CC(C)[C@@H]1N[C@@H](O)[C@H](C(C)C)N[C@H]1O CC(C)[*:1] CC(C)[C@@H]1N[C@@H](O)[C@@H](N[C@H]1O)[*:1]
CC(C)(C)c1noc(-c2cnc(Oc3ccccc3)cn2)n1 c1ccc(cc1)[*:1] CC(C)(C)c1noc(n1)-c1cnc(cn1)O[*:1]
CC(C)(C)c1noc(-c2cnc(Oc3ccccc3)cn2)n1 c1ccc(cc1)O[*:1] CC(C)(C)c1noc(n1)-c1cnc(cn1)[*:1]
CC(C)(C)c1noc(-c2cnc(Oc3ccccc3)cn2)n1 CC(C)(C)[*:1] c1ccc(cc1)Oc1cnc(cn1)-c1nc(no1)[*:1]
O=C(Nc1cccc(OC2CCCC2)c1)c1cccnc1-n1cncn1 c1ncn(n1)[*:1] O=C(Nc1cccc(c1)OC1CCCC1)c1cccnc1[*:1]
O=C(Nc1cccc(OC2CCCC2)c1)c1cccnc1-n1cncn1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)O[*:1])c1cccnc1-n1cncn1
O=C(Nc1cccc(OC2CCCC2)c1)c1cccnc1-n1cncn1 C1CCC(C1)O[*:1] O=C(Nc1cccc(c1)[*:1])c1cccnc1-n1cncn1
CCOc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1C[C@H]1CCCO1 CCO[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1[*:1]
CCOc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1C[C@H]1CCCO1 CCOc1ccccc1[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@@H]1[*:1]
CCOc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CCOc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1[*:1]
CCOc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCOc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1C[*:1]
CCOc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1C[C@H]1CCCO1 Cc1nc(C)c(s1)[*:1] CCOc1ccccc1[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C[C@H]1CCCO1
CCOc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1C[C@H]1CCCO1 Cc1nc(C)c(s1)C(=O)[*:1] CCOc1ccccc1[C@@H]1C(=C([O-])C(=O)N1C[C@H]1CCCO1)[*:1]
CC[C@H](O)[C@H](C)Cc1cccnc1OC CC[C@H](O)[*:1] COc1ncccc1C[C@@H](C)[*:1]
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1ncc[nH]1 N#Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccccc1-c1ncc[nH]1
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1ncc[nH]1 c1c[nH]c(n1)[*:1] C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1[*:1]
COCC[C@H](C)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1 c1ccc(cc1)[*:1] COCC[C@H](C)C(=O)Nc1c(F)cc(F)cc1[*:1]
COCC[C@H](C)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1 COC[*:1] C[C@@H](C[*:1])C(=O)Nc1c(F)cc(F)cc1-c1ccccc1
COCC[C@H](C)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1 COCC[*:1] C[C@H](C(=O)Nc1c(F)cc(F)cc1-c1ccccc1)[*:1]
COc1ccccc1N1/C(=N\C(=O)C(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 CC(C)(C)[*:1] COc1ccccc1N1/C(=N\C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
COc1ccccc1N1/C(=N\C(=O)C(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 COc1ccccc1[*:1] CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1cc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])[C@@H](OC1CCCC1)c1ccccc1
Cc1cc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@@H](OC1CCCC1)[*:1]
Cc1cc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)no1 C1CCC(C1)[*:1] Cc1cc(no1)NC(=O)[C@@H](O[*:1])c1ccccc1
Cc1cc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)no1 C1CCC(C1)O[*:1] Cc1cc(no1)NC(=O)[C@@H](c1ccccc1)[*:1]
CCC[C@@H](Cl)[C@@H](C)c1ccncc1 CCC[*:1] C[C@@H](c1ccncc1)[C@H](Cl)[*:1]
COC(=O)C[C@H](NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)C1CC1 COC(=O)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C[*:1])C1CC1
COC(=O)C[C@H](NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)C1CC1 COC(=O)C[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C1CC1)[*:1]
COC(=O)C[C@H](NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)C1CC1 C1CC1[*:1] COC(=O)C[C@H](NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)[*:1]
COC(=O)c1cncc(C(=O)Nc2cc(C#N)ccc2C)c1 COC(=O)[*:1] Cc1ccc(C#N)cc1NC(=O)c1cncc(c1)[*:1]
COc1cccc(N2C(=O)S/C(=C3\C(=O)Nc4ccc(F)cc43)C2=O)c1 COc1cccc(c1)[*:1] O=C1Nc2ccc(F)cc2/C1=C1/SC(=O)N(C1=O)[*:1]
CCc1ccc(C(C)(C)NC(=O)CC/N=C(\O)c2ncccc2O)cc1 CCc1ccc(cc1)[*:1] CC(C)(NC(=O)CC/N=C(\O)c1ncccc1O)[*:1]
CCc1ccc(C(C)(C)NC(=O)CC/N=C(\O)c2ncccc2O)cc1 Oc1cccnc1[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)CC/N=C(\O)[*:1]
Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2F)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])[N-]S(=O)(=O)c1cccc(Cl)c1F
Cc1nc(S(=O)(=O)CC(=O)Nc2cccc(F)c2)n(CC(C)C)c1C Fc1cccc(c1)[*:1] Cc1nc(n(CC(C)C)c1C)S(=O)(=O)CC(=O)N[*:1]
Cc1nc(S(=O)(=O)CC(=O)Nc2cccc(F)c2)n(CC(C)C)c1C CC(C)C[*:1] Cc1nc(n(c1C)[*:1])S(=O)(=O)CC(=O)Nc1cccc(F)c1
Cc1nc(S(=O)(=O)CC(=O)Nc2cccc(F)c2)n(CC(C)C)c1C CC(C)[*:1] Cc1nc(n(C[*:1])c1C)S(=O)(=O)CC(=O)Nc1cccc(F)c1
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N[*:1]
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1Cl C1CN(CCO1)[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[*:1]
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1Cl Fc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)NC[C@H](N1CCOCC1)[*:1]
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1cccc(Cl)c1)c1cc(ccc1Cl)[*:1]
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)S(=O)(=O)[N-][*:1]
COc1ccc(C[NH+]2CCN(CCO)CC2)cc1 OCC[*:1] COc1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
O[C@@H]1CN(Cc2ccc(Cl)s2)Cc2ccccc21 Clc1ccc(s1)[*:1] O[C@@H]1CN(Cc2ccccc21)C[*:1]
COc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)[C@H](C)C2=O)c1 COc1cccc(c1)[*:1] C[C@@H]1C(=O)N(CCN1C(=O)c1ccc(Cl)cc1Cl)[*:1]
COc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)[C@H](C)C2=O)c1 Clc1ccc(c(Cl)c1)[*:1] COc1cccc(c1)N1CCN(C(=O)[*:1])[C@H](C)C1=O
CCOC[C@H]([NH3+])CSc1ccccc1C CCOC[*:1] Cc1ccccc1SC[C@@H]([NH3+])[*:1]
CCOC[C@H]([NH3+])CSc1ccccc1C CCO[*:1] Cc1ccccc1SC[C@@H]([NH3+])C[*:1]
COC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 COC(=O)[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(cc2)[*:1])[C@H]1c1cccs1
COC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 c1csc(c1)[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1[*:1]
COC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 COC(=O)c1ccc(cc1)[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)N[*:1])[C@H]1c1cccs1
CC(C)(C)NC(=S)Nc1ccc(Cl)cc1Cl CC(C)(C)[*:1] S=C(Nc1ccc(Cl)cc1Cl)N[*:1]
O=C([O-])c1cccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 O=C([O-])[*:1] O=C([O-])c1cc(cc(c1)C(F)(F)F)-c1cccc(c1)[*:1]
O=C([O-])c1cccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 O=C([O-])[*:1] O=C([O-])c1cccc(c1)-c1cc(cc(c1)[*:1])C(F)(F)F
O=C([O-])c1cccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] O=C([O-])c1cccc(c1)-c1cc(cc(c1)[*:1])C(=O)[O-]
CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H](OC)c3ccccc3)CCO2)n1 CCCc1n[nH]c(n1)[*:1] CO[C@@H](C(=O)N1CCO[C@@H](C1)[*:1])c1ccccc1
CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H](OC)c3ccccc3)CCO2)n1 CCC[*:1] CO[C@@H](C(=O)N1CCO[C@@H](C1)c1nc(n[nH]1)[*:1])c1ccccc1
CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H](OC)c3ccccc3)CCO2)n1 c1ccc(cc1)[*:1] CCCc1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)[C@H](OC)[*:1]
COC(=O)CNC(=O)CCC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C COC(=O)[*:1] C[C@@H]1CCC[C@H](NC(=O)CCC(=O)NC[*:1])[C@@H]1C
COC(=O)CNC(=O)CCC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C COC(=O)C[*:1] C[C@@H]1CCC[C@H](NC(=O)CCC(=O)N[*:1])[C@@H]1C
C=CCn1c(-c2ccco2)nn(CN2CCN(c3ccccc3)CC2)c1=S c1ccc(cc1)[*:1] C=CCn1c(nn(CN2CCN(CC2)[*:1])c1=S)-c1ccco1
C=CCn1c(-c2ccco2)nn(CN2CCN(c3ccccc3)CC2)c1=S C=CC[*:1] S=c1n(CN2CCN(CC2)c2ccccc2)nc(-c2ccco2)n1[*:1]
C=CCn1c(-c2ccco2)nn(CN2CCN(c3ccccc3)CC2)c1=S c1coc(c1)[*:1] C=CCn1c(nn(CN2CCN(CC2)c2ccccc2)c1=S)[*:1]
COc1ccc(CC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccc2ccccc2c1)NNC(=O)C[*:1]
COc1ccc(CC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 COc1ccc(cc1)C[*:1] O=C(COc1ccc2ccccc2c1)NNC(=O)[*:1]
CCOC1CCN(c2cc(CC)nc3c(C)c(C)nn23)CC1 CCO[*:1] CCc1cc(N2CCC(CC2)[*:1])n2nc(C)c(C)c2n1
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(Cl)c(c1)[*:1])N1CCN(CC1)c1c(Cl)cccc1[N+](=O)[O-]
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1cccc(Cl)c1[*:1] O=C(/C=C/c1ccc(Cl)c(c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1cc(ccc1Cl)[*:1] O=C(C=C[*:1])N1CCN(CC1)c1c(Cl)cccc1[N+](=O)[O-]
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(Cl)c(c1)[N+](=O)[O-])N1CCN(CC1)c1c(Cl)cccc1[*:1]
CCCCS(=O)(=O)N1CCC(/C([O-])=N/c2nc(-c3ccccc3Cl)n[nH]2)CC1 CCC[*:1] O=S(=O)(C[*:1])N1CCC(CC1)/C([O-])=N/c1nc(n[nH]1)-c1ccccc1Cl
CCCCS(=O)(=O)N1CCC(/C([O-])=N/c2nc(-c3ccccc3Cl)n[nH]2)CC1 CCCC[*:1] O=S(=O)(N1CCC(CC1)/C([O-])=N/c1nc(n[nH]1)-c1ccccc1Cl)[*:1]
CCCCS(=O)(=O)N1CCC(/C([O-])=N/c2nc(-c3ccccc3Cl)n[nH]2)CC1 Clc1ccccc1[*:1] CCCCS(=O)(=O)N1CCC(CC1)/C([O-])=N/c1nc(n[nH]1)[*:1]
Cn1cc(-c2nn3c(-c4cccnc4)nnc3s2)cn1 c1cncc(c1)[*:1] Cn1cc(cn1)-c1nn2c(nnc2s1)[*:1]
Cn1cc(-c2nn3c(-c4cccnc4)nnc3s2)cn1 Cn1cc(cn1)[*:1] c1cncc(c1)-c1nnc2sc(nn12)[*:1]
CCOc1ccc(C(C)=O)cc1CS[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C CCO[*:1] CC(=O)c1ccc(c(c1)CS[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C)[*:1]
CCOc1ccc(C(C)=O)cc1CS[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C CC(=O)[*:1] CCOc1ccc(cc1CS[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C)[*:1]
CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 O=[N+]([O-])c1ccc(cc1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OC1CCCCCC1)[*:1]
CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 C1CCCC(CC1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)O[*:1])c1ccc(cc1)[N+](=O)[O-]
CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 O=[N+]([O-])[*:1] CC1NC(=O)N[C@H](C=1C(=O)OC1CCCCCC1)c1ccc(cc1)[*:1]
O=C(Nc1nc(C(=O)N2CCN(c3ccccc3F)CC2)co1)c1cccs1 c1csc(c1)[*:1] O=C(c1coc(n1)NC(=O)[*:1])N1CCN(CC1)c1ccccc1F
O=C(Nc1nc(C(=O)N2CCN(c3ccccc3F)CC2)co1)c1cccs1 Fc1ccccc1[*:1] O=C(Nc1nc(co1)C(=O)N1CCN(CC1)[*:1])c1cccs1
O=C(Nc1nc(C(=O)N2CCN(c3ccccc3F)CC2)co1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(c1coc(n1)[*:1])N1CCN(CC1)c1ccccc1F
COc1ccc(S(=O)(=O)N[C@H](C)Cc2cccs2)cc1Cl c1csc(c1)C[*:1] COc1ccc(cc1Cl)S(=O)(=O)N[C@H](C)[*:1]
COc1ccc(S(=O)(=O)N[C@H](C)Cc2cccs2)cc1Cl c1csc(c1)[*:1] COc1ccc(cc1Cl)S(=O)(=O)N[C@H](C)C[*:1]
C[C@]1(/C=N/O)CS/C(=N/O)S1 ON=C[*:1] C[C@@]1(CS/C(=N/O)S1)[*:1]
Cc1cc(NC(=O)C[NH+](C)CC(=O)NC2(c3ccccc3)CCC2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C[NH+](C)CC(=O)NC1(CCC1)[*:1]
Cc1cc(NC(=O)C[NH+](C)CC(=O)NC2(c3ccccc3)CCC2)no1 Cc1cc(no1)[*:1] C[NH+](CC(=O)NC1(CCC1)c1ccccc1)CC(=O)N[*:1]
C[NH2+][C@]1(CO)CC[C@@H](Oc2cc(C(C)C)ccc2C)C1 CC(C)[*:1] C[NH2+][C@]1(CO)CC[C@H](C1)Oc1cc(ccc1C)[*:1]
CNC(=O)COC(=O)c1ccccc1CSc1nc2ccccc2o1 CNC(=O)COC(=O)[*:1] c1ccc(c(c1)CSc1nc2ccccc2o1)[*:1]
CNC(=O)COC(=O)c1ccccc1CSc1nc2ccccc2o1 CNC(=O)[*:1] O=C(OC[*:1])c1ccccc1CSc1nc2ccccc2o1
CNC(=O)COC(=O)c1ccccc1CSc1nc2ccccc2o1 CNC(=O)C[*:1] O=C(O[*:1])c1ccccc1CSc1nc2ccccc2o1
Cc1[nH]c2ccc(Br)cc2c(=O)c1CCC(=O)[O-] O=C([O-])[*:1] Cc1[nH]c2ccc(Br)cc2c(=O)c1CC[*:1]
Cc1[nH]c2ccc(Br)cc2c(=O)c1CCC(=O)[O-] O=C([O-])CC[*:1] Cc1[nH]c2ccc(Br)cc2c(=O)c1[*:1]
Cc1[nH]c2ccc(Br)cc2c(=O)c1CCC(=O)[O-] O=C([O-])C[*:1] Cc1[nH]c2ccc(Br)cc2c(=O)c1C[*:1]
O=C(CSc1nc2ccc(Cl)cc2[nH]1)NC(=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CSc1nc2ccc(Cl)cc2[nH]1)NC(=O)N[*:1]
COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3[n+](C(C)C)c2N)cc1 CC(C)[*:1] COc1ccc(cc1)CCNC(=O)c1cc2c(=O)n3ccccc3nc2[n+](c1N)[*:1]
COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3[n+](C(C)C)c2N)cc1 COc1ccc(cc1)[*:1] CC(C)[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)C(=O)NCC[*:1]
COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3[n+](C(C)C)c2N)cc1 COc1ccc(cc1)C[*:1] CC(C)[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)C(=O)NC[*:1]
COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3[n+](C(C)C)c2N)cc1 COc1ccc(cc1)CC[*:1] CC(C)[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)C(=O)N[*:1]
Cc1sc2nc([C@H](C)Sc3n[nH]c(=O)n3C[C@H]3CCCO3)[nH]c(=O)c2c1C C1CO[C@H](C1)C[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Sc1n[nH]c(=O)n1[*:1]
Cc1sc2nc([C@H](C)Sc3n[nH]c(=O)n3C[C@H]3CCCO3)[nH]c(=O)c2c1C C1CO[C@H](C1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Sc1n[nH]c(=O)n1C[*:1]
CCCOc1ccc(/C=C/C(=O)N2CCNC(=O)C2)cc1OC CCC[*:1] COc1cc(/C=C/C(=O)N2CCNC(=O)C2)ccc1O[*:1]
CCCOc1ccc(/C=C/C(=O)N2CCNC(=O)C2)cc1OC CCCO[*:1] COc1cc(/C=C/C(=O)N2CCNC(=O)C2)ccc1[*:1]
Cc1nnnn1CC(=O)N1CCC[C@](C)(c2ccccc2)C1 Cc1nnnn1[*:1] C[C@@]1(CCCN(C1)C(=O)C[*:1])c1ccccc1
Cc1nnnn1CC(=O)N1CCC[C@](C)(c2ccccc2)C1 Cc1nnnn1C[*:1] C[C@@]1(CCCN(C1)C(=O)[*:1])c1ccccc1
Cc1nnnn1CC(=O)N1CCC[C@](C)(c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1nnnn1CC(=O)N1CCC[C@](C)(C1)[*:1]
COC(=O)c1ccccc1NC(=O)CN[C@H](C)c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)c1ccccc1NC(=O)CN[C@H](C)[*:1]
COC(=O)c1ccccc1NC(=O)CN[C@H](C)c1ccccc1Cl COC(=O)[*:1] C[C@@H](NCC(=O)Nc1ccccc1[*:1])c1ccccc1Cl
CC(C)c1ocnc1CO/N=C(/N)c1ccc(F)c(F)c1 CC(C)[*:1] N/C(=N/OCc1ncoc1[*:1])c1ccc(F)c(F)c1
CC(C)(C)OC1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 CC(C)(C)O[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC(CC1)[*:1]
CC(C)(C)OC1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 CC(C)(C)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC(CC1)O[*:1]
O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 C(=C/c1ccccc1)\C[*:1] O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(c2ccccc21)[*:1]
O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(CC=C[*:1])c2ccccc21
O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] O=C(C=C[*:1])C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21
O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 C(=C[*:1])c1ccccc1 O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(C[*:1])c2ccccc21
O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 O=C(/C=C/c1ccccc1)[*:1] O=C1N(C/C=C/c2ccccc2)c2ccccc2[C@@]1(O)C[*:1]
O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 C(=C[*:1])c1ccccc1 O=C1N(C/C=C/c2ccccc2)c2ccccc2[C@@]1(O)CC(=O)[*:1]
CCOCCOC(=O)Nc1c(C)cccc1CC CCO[*:1] CCc1cccc(C)c1NC(=O)OCC[*:1]
CCOCCOC(=O)Nc1c(C)cccc1CC CCOCC[*:1] CCc1cccc(C)c1NC(=O)O[*:1]
CCOCCOC(=O)Nc1c(C)cccc1CC CCOC[*:1] CCc1cccc(C)c1NC(=O)OC[*:1]
Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3CCCO3)c2)oc1C Cc1nc(oc1C)[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)[*:1])[C@@H]1CCCO1
Cn1ccc(Nc2[nH+]ccc(C(=O)[O-])c2N)n1 O=C([O-])[*:1] Cn1ccc(n1)Nc1[nH+]ccc(c1N)[*:1]
Cc1ccoc1C(=O)NCc1cc(CC(C)C)on1 CC(C)[*:1] Cc1ccoc1C(=O)NCc1cc(C[*:1])on1
Cc1ccoc1C(=O)NCc1cc(CC(C)C)on1 CC(C)C[*:1] Cc1ccoc1C(=O)NCc1cc(on1)[*:1]
Cc1ccoc1C(=O)NCc1cc(CC(C)C)on1 Cc1ccoc1[*:1] CC(C)Cc1cc(CNC(=O)[*:1])no1
CCCc1cc(=O)n2cc(C(=O)Nc3ccccc3)sc2n1 CCC[*:1] O=C(Nc1ccccc1)c1cn2c(=O)cc(nc2s1)[*:1]
CCCc1cc(=O)n2cc(C(=O)Nc3ccccc3)sc2n1 c1ccc(cc1)[*:1] CCCc1cc(=O)n2cc(sc2n1)C(=O)N[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)Cn1cncn1 c1ncn(C[*:1])n1 Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)Cn1cncn1 Cc1n[nH]c(C)c1[*:1] C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@H]1[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)Cn1cncn1 c1ncn(n1)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)C[*:1]
O=C1CCN(CCOC(=O)Cc2ccccc2)c2ccc(F)cc2N1 c1ccc(cc1)C[*:1] O=C1CCN(CCOC(=O)[*:1])c2ccc(F)cc2N1
O=C1CCN(CCOC(=O)Cc2ccccc2)c2ccc(F)cc2N1 c1ccc(cc1)[*:1] O=C1CCN(CCOC(=O)C[*:1])c2ccc(F)cc2N1
O=C(N1CC(c2nc(-c3cccs3)no2)C1)C1(c2cccs2)CCCC1 c1csc(c1)[*:1] O=C(N1CC(C1)c1nc(no1)[*:1])C1(CCCC1)c1cccs1
O=C(N1CC(c2nc(-c3cccs3)no2)C1)C1(c2cccs2)CCCC1 c1csc(c1)[*:1] O=C(N1CC(C1)c1nc(no1)-c1cccs1)C1(CCCC1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)N2CCC[C@@H]2c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)N1CCC[C@H]1[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)N2CCC[C@@H]2c2cccc(F)c2)C1 CS(=O)(=O)[*:1] O=C(N[C@@H]1CCC[C@@H](C1)[*:1])N1CCC[C@@H]1c1cccc(F)c1
C[C@H]1CN(CCC(=O)NNC(=O)Cc2ccccc2F)C[C@H](C)O1 Fc1ccccc1C[*:1] C[C@H]1CN(CCC(=O)NNC(=O)[*:1])C[C@H](C)O1
C[C@H]1CN(CCC(=O)NNC(=O)Cc2ccccc2F)C[C@H](C)O1 Fc1ccccc1[*:1] C[C@H]1CN(CCC(=O)NNC(=O)C[*:1])C[C@H](C)O1
CCS(=O)(=O)c1cccc(NC(=O)[C@H](c2ccccc2)C(C)C)c1 CCS(=O)(=O)[*:1] CC(C)[C@H](C(=O)Nc1cccc(c1)[*:1])c1ccccc1
CCS(=O)(=O)c1cccc(NC(=O)[C@H](c2ccccc2)C(C)C)c1 CC(C)[*:1] CCS(=O)(=O)c1cccc(c1)NC(=O)[C@H](c1ccccc1)[*:1]
CCS(=O)(=O)c1cccc(NC(=O)[C@H](c2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] CCS(=O)(=O)c1cccc(c1)NC(=O)[C@H](C(C)C)[*:1]
CSCC[C@H](C)NC(=O)NNC(=O)Cc1ccc2ccccc2c1 CSC[*:1] C[C@@H](C[*:1])NC(=O)NNC(=O)Cc1ccc2ccccc2c1
CSCC[C@H](C)NC(=O)NNC(=O)Cc1ccc2ccccc2c1 CSCC[*:1] C[C@H](NC(=O)NNC(=O)Cc1ccc2ccccc2c1)[*:1]
CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C#N)c1 CC[C@H](CO)[*:1] N#Cc1cccc(c1)NC(=O)C(=O)N[*:1]
O=C(COc1ccc(Cl)cc1Cl)NNC(=S)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1Cl)NNC(=S)N[*:1]
N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(N)=O NC(=O)[*:1] N#CC(=Cc1ccc(o1)-c1cccc(Cl)c1Cl)[*:1]
SC/C=C/CSc1ccc2c(c1)CCC2 SCC=C[*:1] c1cc2CCCc2cc1SC[*:1]
SC/C=C/CSc1ccc2c(c1)CCC2 SC/C=C/C[*:1] c1cc2CCCc2cc1S[*:1]
CCS[C@H]1CC[C@]1([O-])CNC(=O)Nc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] CCS[C@H]1CC[C@]1([O-])CNC(=O)Nc1cnn(c1)[*:1]
CCS[C@H]1CC[C@]1([O-])CNC(=O)Nc1cnn(C(C)(C)C)c1 CCS[*:1] CC(C)(C)n1cc(cn1)NC(=O)NC[C@@]1([O-])CC[C@@H]1[*:1]
N#Cc1cccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 c1coc(c1)[*:1] N#Cc1cccc(c1)S(=O)(=O)NC[C@H]([NH+]1CCCC1)[*:1]
N#Cc1cccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 N#Cc1cccc(c1)[*:1] O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCC1)[*:1]
CCc1ccc(CNC(=O)N2CC[C@H]([N+]3=CCCC3)C2)s1 CCc1ccc(s1)[*:1] O=C(NC[*:1])N1CC[C@@H](C1)[N+]1=CCCC1
Oc1ccc(-c2noc(Cc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] Oc1ccc(cc1)-c1noc(C[*:1])n1
CCC[NH2+][C@H](Cc1ccc(CC)cc1)[C@@H]1CSCCO1 CCC[*:1] CCc1ccc(cc1)C[C@@H]([NH2+][*:1])[C@@H]1CSCCO1
CS(=O)(=O)NCCNC(=O)c1ccccc1I CS(=O)(=O)N[*:1] O=C(NCC[*:1])c1ccccc1I
COCc1cccc(CNC(=O)NC(C)(C)c2ncc(C)s2)c1 COC[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NCc1cccc(c1)[*:1]
COCc1cccc(CNC(=O)NC(C)(C)c2ncc(C)s2)c1 Cc1cnc(s1)[*:1] COCc1cccc(c1)CNC(=O)NC(C)(C)[*:1]
COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2ccc(F)cc23)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1C[C@H]2CCCN2[C@@]12C(=O)Nc1ccc(F)cc12
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](C)CCO)C1 OCC[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NC[C@@H](C)[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](C)CCO)C1 CC[S@@](=O)[*:1] C[C@@H](CCO)CNC(=O)N[C@H]1CCC[C@H](C1)[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](C)CCO)C1 C[C@@H](CCO)[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NC[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](C)CCO)C1 C[C@@H](CCO)C[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N[*:1]
CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 CCO[*:1] Cn1nc(cc1C(=O)Nc1ccc(cc1)[*:1])[N+](=O)[O-]
CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)NC(=O)c1cc(nn1C)[*:1]
COc1cc(OC)cc(C(=O)N[C@@H](C(=O)/N=c2\sccn2C)C(C)C)c1 CC(C)[*:1] COc1cc(cc(c1)C(=O)N[C@@H](C(=O)/N=c1\sccn1C)[*:1])OC
O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 c1cncc(c1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(NCc1cccnc1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 c1cncc(c1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
CCOCCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cc(OC)ccc21 CCOC[*:1] COc1ccc2c(c1)s/c(=N\C(=O)[C@H]1COc3ccccc3O1)n2C[*:1]
CCOCCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cc(OC)ccc21 CCO[*:1] COc1ccc2c(c1)s/c(=N\C(=O)[C@H]1COc3ccccc3O1)n2CC[*:1]
CCOCCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cc(OC)ccc21 CCOCC[*:1] COc1ccc2c(c1)s/c(=N\C(=O)[C@H]1COc3ccccc3O1)n2[*:1]
O=C(Nc1nccs1)c1noc2c1CCCC2 c1csc(n1)[*:1] O=C(N[*:1])c1noc2CCCCc12
CC[C@@H]1C[N+]2=CNc3oc(C)c(C(=O)Nc4cc(C)on4)c3C2=N1 Cc1cc(no1)[*:1] CC[C@@H]1C[N+]2=CNc3oc(C)c(C(=O)N[*:1])c3C2=N1
O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NC[C@@H]1CCCO1 Clc1cccc(c1)[*:1] O=C(CC1CCN(CC1)C(=O)N[*:1])NC[C@@H]1CCCO1
CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cc1 CC(C)NC(=O)C[*:1] O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1ccc(cc1)[*:1]
CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CC(C)NC(=O)Cc1ccc(cc1)[N-]S(=O)(=O)C=C[*:1]
CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cc1 CC(C)NC(=O)[*:1] O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1ccc(cc1)C[*:1]
CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)[N-]S(=O)(=O)/C=C/c1ccccc1Cl)N[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(c2ncc(Cl)cc2F)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ncc(Cl)cc1F
Cc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 CC(C)[*:1] Cc1ccc(cc1)N(CC(=O)Nc1ccc(cc1)[*:1])S(C)(=O)=O
Cc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)CN(S(C)(=O)=O)[*:1]
C[C@H](/C=C/C(=O)[O-])n1cncn1 O=C([O-])[*:1] C[C@H](C=C[*:1])n1cncn1
CC(=O)N1c2cc(S(=O)(=O)NCc3ccc(Cl)cc3)c(Br)cc2C[C@@H]1C Clc1ccc(cc1)[*:1] CC(=O)N1c2cc(c(Br)cc2C[C@@H]1C)S(=O)(=O)NC[*:1]
CC(=O)N1c2cc(S(=O)(=O)NCc3ccc(Cl)cc3)c(Br)cc2C[C@@H]1C Clc1ccc(cc1)C[*:1] CC(=O)N1c2cc(c(Br)cc2C[C@@H]1C)S(=O)(=O)N[*:1]
CCC[NH2+][C@]1(C(=O)[O-])CC[C@H](Oc2ccc(C)c(C)c2)C1 O=C([O-])[*:1] CCC[NH2+][C@@]1(CC[C@@H](C1)Oc1ccc(C)c(C)c1)[*:1]
CCC[NH2+][C@]1(C(=O)[O-])CC[C@H](Oc2ccc(C)c(C)c2)C1 CCC[*:1] Cc1ccc(cc1C)O[C@H]1CC[C@](C1)([NH2+][*:1])C(=O)[O-]
O=[N+]([O-])c1ccc2c(c1)CCC2 O=[N+]([O-])[*:1] c1cc2CCCc2cc1[*:1]
COCCN(CCC#N)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] COCCN(CCC#N)[C@@H]1CCC[C@H](C1)[*:1]
COCCN(CCC#N)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 N#CC[*:1] COCCN(C[*:1])[C@@H]1CCC[C@@H](C1)S(C)(=O)=O
COCCN(CCC#N)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 COCC[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)N(CCC#N)[*:1]
COCCN(CCC#N)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 N#CCC[*:1] COCCN([C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
COCCN(CCC#N)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 COC[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)N(CCC#N)C[*:1]
CCCCN(C)C(=O)NCCNC(=O)c1ccccc1Cl CCC[*:1] CN(C[*:1])C(=O)NCCNC(=O)c1ccccc1Cl
CCCCN(C)C(=O)NCCNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] CCCCN(C)C(=O)NCCNC(=O)[*:1]
CCCCN(C)C(=O)NCCNC(=O)c1ccccc1Cl CCCC[*:1] CN(C(=O)NCCNC(=O)c1ccccc1Cl)[*:1]
COc1ccc([C@@H](O)[C@H](C)[NH2+][C@H](C)c2ccc(C)s2)cc1 Cc1ccc(s1)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)[NH2+][C@H](C)[*:1]
C[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(N3CCOCC3)cc2)no1 C1CN(CCO1)[*:1] C[C@H](NC(=O)c1ccco1)c1nc(no1)-c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(N3CCOCC3)cc2)no1 c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])c1nc(no1)-c1ccc(cc1)N1CCOCC1
C[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(N3CCOCC3)cc2)no1 O=C(N[*:1])c1ccco1 C[C@H](c1nc(no1)-c1ccc(cc1)N1CCOCC1)[*:1]
Nc1nc(SCc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)n[nH]1 Nc1nc(n[nH]1)SC[*:1] O=c1[nH]c(nc2scc(-c3ccc(Cl)cc3)c12)[*:1]
Nc1nc(SCc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)n[nH]1 Clc1ccc(cc1)[*:1] Nc1nc(n[nH]1)SCc1nc2scc(c2c(=O)[nH]1)[*:1]
Nc1nc(SCc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)n[nH]1 Nc1nc(n[nH]1)[*:1] O=c1[nH]c(CS[*:1])nc2scc(-c3ccc(Cl)cc3)c12
Nc1nc(SCc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)n[nH]1 Nc1nc(n[nH]1)S[*:1] O=c1[nH]c(C[*:1])nc2scc(-c3ccc(Cl)cc3)c12
O=C(NCCCn1nc2ccccn2c1=O)Nc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C(NCCCn1nc2ccccn2c1=O)N[*:1]
c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3CCOC3)c3ccccc3O2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)O[C@H](C[C@H]2[NH2+][C@@H]1CCOC1)[*:1]
CN(C[C@@H]1CC=CO1)C(=O)c1c[nH]c(=S)n1-c1ccccc1 c1ccc(cc1)[*:1] CN(C[C@@H]1CC=CO1)C(=O)c1c[nH]c(=S)n1[*:1]
COc1cccc(OCCNC(=O)c2cccc(-c3nnc(C)o3)c2)c1 COc1cccc(c1)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NCCO[*:1]
COc1cccc(OCCNC(=O)c2cccc(-c3nnc(C)o3)c2)c1 Cc1nnc(o1)[*:1] COc1cccc(c1)OCCNC(=O)c1cccc(c1)[*:1]
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C CC(=O)[*:1] C[C@@]12CC[C@H](O)CC1=CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@H]2[*:1]
C[C@H](C(=O)Nc1cccc2nsnc12)n1nc(-c2ccc(F)cc2)ccc1=O c1cc(c2nsnc2c1)[*:1] C[C@H](C(=O)N[*:1])n1nc(ccc1=O)-c1ccc(F)cc1
C[C@H](C(=O)Nc1cccc2nsnc12)n1nc(-c2ccc(F)cc2)ccc1=O Fc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1cccc2nsnc12)n1nc(ccc1=O)[*:1]
Cc1noc(CN2CCN(C(=O)c3cnn(-c4ccncc4)c3C)CC2)n1 Cc1noc(n1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CCN(CC1)C[*:1]
Cc1noc(CN2CCN(C(=O)c3cnn(-c4ccncc4)c3C)CC2)n1 Cc1noc(C[*:1])n1 Cc1c(cnn1-c1ccncc1)C(=O)N1CCN(CC1)[*:1]
Cc1noc(CN2CCN(C(=O)c3cnn(-c4ccncc4)c3C)CC2)n1 c1cc(ccn1)[*:1] Cc1noc(CN2CCN(CC2)C(=O)c2cnn(c2C)[*:1])n1
Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCC[NH+]3CCCCC3)c2c1 c1ccc(nc1)[*:1] Cc1ccc2nc(cc(C(=O)NCC[NH+]3CCCCC3)c2c1)[*:1]
COCCCC(=O)N[C@H](C)c1cccc(C#N)c1 COCCC[*:1] C[C@@H](NC(=O)[*:1])c1cccc(C#N)c1
COCCCC(=O)N[C@H](C)c1cccc(C#N)c1 COCC[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(C#N)c1
COCCCC(=O)N[C@H](C)c1cccc(C#N)c1 COC[*:1] C[C@@H](NC(=O)CC[*:1])c1cccc(C#N)c1
COc1ccc([C@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)NCC2CC2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)[C@H]1CN(C[C@H]1C(=O)NCC1CC1)C(=O)[*:1]
COc1ccc([C@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)NCC2CC2)cc1 C1CC1C[*:1] COc1ccc(cc1)[C@H]1CN(C[C@H]1C(=O)N[*:1])C(=O)c1cccs1
COc1ccc([C@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)NCC2CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1CC1)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cccs1
COc1ccc([C@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)NCC2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H]1CN(C[C@H]1C(=O)NC[*:1])C(=O)c1cccs1
COc1ccc([C@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)NCC2CC2)cc1 O=C(NCC1CC1)[*:1] COc1ccc(cc1)[C@H]1CN(C[C@@H]1[*:1])C(=O)c1cccs1
COc1cccc(Oc2ccc(CNC(=O)/C=C/C(C)(C)C)cn2)c1 CC(C)(C)C=C[*:1] COc1cccc(c1)Oc1ccc(cn1)CNC(=O)[*:1]
COc1cccc(Oc2ccc(CNC(=O)/C=C/C(C)(C)C)cn2)c1 COc1cccc(c1)[*:1] CC(C)(C)/C=C/C(=O)NCc1ccc(nc1)O[*:1]
COc1cccc(Oc2ccc(CNC(=O)/C=C/C(C)(C)C)cn2)c1 CC(C)(C)[*:1] COc1cccc(c1)Oc1ccc(cn1)CNC(=O)C=C[*:1]
CC(C)Nc1cccc(CNC(=O)N2CCOCC2)c1 CC(C)[*:1] O=C(NCc1cccc(c1)N[*:1])N1CCOCC1
CC(C)Nc1cccc(CNC(=O)N2CCOCC2)c1 CC(C)N[*:1] O=C(NCc1cccc(c1)[*:1])N1CCOCC1
CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)c3snnc3C)cc2)c1C Cc1nnsc1[*:1] CCOC(=O)c1c(C)nn(-c2ccc(cc2)NC(=O)[*:1])c1C
CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)c3snnc3C)cc2)c1C CCOC(=O)[*:1] Cc1nnsc1C(=O)Nc1ccc(cc1)-n1nc(C)c(c1C)[*:1]
CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)c3snnc3C)cc2)c1C Cc1nnsc1C(=O)N[*:1] CCOC(=O)c1c(C)nn(-c2ccc(cc2)[*:1])c1C
COc1ccc(Cc2nnc(NC(=O)Cc3ccc(SC)cc3)o2)cc1 COc1ccc(cc1)[*:1] CSc1ccc(cc1)CC(=O)Nc1nnc(C[*:1])o1
COc1ccc(Cc2nnc(NC(=O)Cc3ccc(SC)cc3)o2)cc1 CSc1ccc(cc1)[*:1] COc1ccc(cc1)Cc1nnc(NC(=O)C[*:1])o1
CCOC(=O)N1CCN(C(=O)N[C@H](CC)c2cc(F)ccc2F)CC1 Fc1ccc(F)c(c1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)N[C@H](CC)[*:1]
C[C@H]1Cc2ccccc2N1c1nccc(OCC(=O)[O-])n1 O=C([O-])CO[*:1] C[C@H]1Cc2ccccc2N1c1nccc(n1)[*:1]
C[C@H]1Cc2ccccc2N1c1nccc(OCC(=O)[O-])n1 O=C([O-])C[*:1] C[C@H]1Cc2ccccc2N1c1nccc(n1)O[*:1]
C[C@H]1Cc2ccccc2N1c1nccc(OCC(=O)[O-])n1 O=C([O-])[*:1] C[C@H]1Cc2ccccc2N1c1nccc(n1)OC[*:1]
CCn1cc([C@H](O)C(C)(C)N2CCOCC2)cn1 C1CN(CCO1)[*:1] CCn1cc(cn1)[C@H](O)C(C)(C)[*:1]
C=CCNC(=O)NC(=O)[C@H](C)Sc1ccc2ccccc2n1 C=CC[*:1] C[C@H](Sc1ccc2ccccc2n1)C(=O)NC(=O)N[*:1]
Cc1ccc(-n2nnc(C(=O)Nc3ccc4c(c3)OCCO4)c2CSc2ncccn2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)c1nnn(c1CSc1ncccn1)[*:1]
Cc1ccc(-n2nnc(C(=O)Nc3ccc4c(c3)OCCO4)c2CSc2ncccn2)cc1 c1cc2OCCOc2cc1[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N[*:1])c1CSc1ncccn1
Cc1ccc(-n2nnc(C(=O)Nc3ccc4c(c3)OCCO4)c2CSc2ncccn2)cc1 c1cnc(nc1)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)Nc2ccc3OCCOc3c2)c1CS[*:1]
Cc1ccc(-n2nnc(C(=O)Nc3ccc4c(c3)OCCO4)c2CSc2ncccn2)cc1 c1cnc(nc1)S[*:1] Cc1ccc(cc1)-n1nnc(C(=O)Nc2ccc3OCCOc3c2)c1C[*:1]
Cc1ccc(-n2nnc(C(=O)Nc3ccc4c(c3)OCCO4)c2CSc2ncccn2)cc1 c1cnc(nc1)SC[*:1] Cc1ccc(cc1)-n1nnc(C(=O)Nc2ccc3OCCOc3c2)c1[*:1]
NC(=O)c1ccc(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(N)c(c1)[*:1]
NC(=O)c1ccc(N)c([N+](=O)[O-])c1 NC(=O)[*:1] Nc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1ccsc1[C@@H](O)C1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] Cc1ccsc1[C@@H](O)C1(CCC1)[*:1]
Cc1ccsc1[C@@H](O)C1(c2ccccc2)CCC1 Cc1ccsc1[*:1] O[C@@H](C1(CCC1)c1ccccc1)[*:1]
Cc1cc(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)n(C)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(C(=O)N(CC[*:1])c2nc3ccccc3s2)n(C)n1
Cc1cc(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1cc(C)n(CCN(C(=O)[*:1])c2nc3ccccc3s2)n1
Cc1cc(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)n(C)n1 c1ccc2sc(nc2c1)[*:1] Cc1cc(C(=O)N(CCn2nc(C)cc2C)[*:1])n(C)n1
Cc1cc(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)n(C)n1 Cc1cc(C)n(CC[*:1])n1 Cc1cc(C(=O)N(c2nc3ccccc3s2)[*:1])n(C)n1
Cc1cc(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)n(C)n1 Cc1cc(C)n(C[*:1])n1 Cc1cc(C(=O)N(C[*:1])c2nc3ccccc3s2)n(C)n1
C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccc2c(c1)OCCO2 Clc1ccc(cn1)[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1ccc2OCCOc2c1
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1COc2ccccc21 c1ccc(cc1)[*:1] C[C@@H](CC(C)(C)[*:1])NC(=O)[C@@H]1COc2ccccc21
Cc1ccc(OCCNC(=O)/C=C/c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)OCCNC(=O)C=C[*:1]
Cc1ccc(OCCNC(=O)/C=C/c2cccc(F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(/C=C/c1cccc(F)c1)NCCO[*:1]
CCOc1ccc(F)c(C(=O)NC2(c3noc(C)n3)CCC2)c1F CCO[*:1] Cc1nc(no1)C1(CCC1)NC(=O)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)NC2(c3noc(C)n3)CCC2)c1F Cc1nc(no1)[*:1] CCOc1ccc(F)c(C(=O)NC2(CCC2)[*:1])c1F
C/C(=N\NC(=O)Cc1ccc(C)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 Cc1ccc(cc1)C[*:1] C/C(=N\NC(=O)[*:1])c1ccc(cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O
C/C(=N\NC(=O)Cc1ccc(C)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 Cc1ccc(cc1)[*:1] C/C(=N\NC(=O)C[*:1])c1ccc(cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CSCC(F)(F)F FC(F)(F)CSC[*:1] Cc1cc(ccc1NC(=O)[*:1])N1CCCC[C@@H]1C
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CSCC(F)(F)F FC(F)(F)CS[*:1] Cc1cc(ccc1NC(=O)C[*:1])N1CCCC[C@@H]1C
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CSCC(F)(F)F FC(F)(F)[*:1] Cc1cc(ccc1NC(=O)CSC[*:1])N1CCCC[C@@H]1C
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CSCC(F)(F)F C[C@H]1CCCCN1[*:1] Cc1cc(ccc1NC(=O)CSCC(F)(F)F)[*:1]
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CSCC(F)(F)F FC(F)(F)C[*:1] Cc1cc(ccc1NC(=O)CS[*:1])N1CCCC[C@@H]1C
CS[C@@H](C)C(=O)NC(C1CC1)C1CC1 C1CC1[*:1] CS[C@@H](C)C(=O)NC(C1CC1)[*:1]
CS[C@@H](C)C(=O)NC(C1CC1)C1CC1 CS[C@@H](C)[*:1] O=C(NC(C1CC1)C1CC1)[*:1]
CC(C)CNC(=O)NCc1c(-n2cccc2)sc2c1CC[NH+](C)C2 CC(C)[*:1] C[NH+]1CCc2c(C1)sc(c2CNC(=O)NC[*:1])-n1cccc1
CC(C)CNC(=O)NCc1c(-n2cccc2)sc2c1CC[NH+](C)C2 CC(C)C[*:1] C[NH+]1CCc2c(C1)sc(c2CNC(=O)N[*:1])-n1cccc1
CC(C)CNC(=O)NCc1c(-n2cccc2)sc2c1CC[NH+](C)C2 CC(C)CNC(=O)N[*:1] C[NH+]1CCc2c(C1)sc(c2C[*:1])-n1cccc1
CC(C)CNC(=O)NCc1c(-n2cccc2)sc2c1CC[NH+](C)C2 c1ccn(c1)[*:1] CC(C)CNC(=O)NCc1c(sc2C[NH+](C)CCc21)[*:1]
CC[C@@](C)(NC(=O)CCc1ccc(OC)c(Br)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)CCc1ccc(OC)c(Br)c1)[*:1]
CCOCCN(C)C(=O)CCNC(=O)N1CCc2ccccc2C1 CCOC[*:1] CN(C[*:1])C(=O)CCNC(=O)N1CCc2ccccc2C1
CCOCCN(C)C(=O)CCNC(=O)N1CCc2ccccc2C1 CCOCC[*:1] CN(C(=O)CCNC(=O)N1CCc2ccccc2C1)[*:1]
CCOCCN(C)C(=O)CCNC(=O)N1CCc2ccccc2C1 CCO[*:1] CN(CC[*:1])C(=O)CCNC(=O)N1CCc2ccccc2C1
O=C(CCC1CCCC1)N[C@H]1C=CS(=O)(=O)C1 C1CCC(C1)[*:1] O=C(CC[*:1])N[C@H]1C=CS(=O)(=O)C1
CNC(=O)c1ccn(-c2cc(C)c(F)cc2[C@H](C)[NH3+])n1 CNC(=O)[*:1] Cc1cc(c(cc1F)[C@H](C)[NH3+])-n1ccc(n1)[*:1]
CCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCCNC(=O)C1CC[NH+](CCC(=O)N[*:1])CC1
CCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 CCCNC(=O)[*:1] O=C(CC[NH+]1CCC(CC1)[*:1])Nc1ccc(Cl)cc1
CCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 CCC[*:1] O=C(CC[NH+]1CCC(CC1)C(=O)N[*:1])Nc1ccc(Cl)cc1
Cc1cccc(N2CCN(CC[NH2+][C@H](C)c3cnn(C)c3)CC2)c1 Cn1cc(cn1)[*:1] Cc1cccc(c1)N1CCN(CC[NH2+][C@H](C)[*:1])CC1
Cc1cccc(N2CCN(CC[NH2+][C@H](C)c3cnn(C)c3)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H]([NH2+]CCN1CCN(CC1)[*:1])c1cnn(C)c1
C[C@@H](c1cccs1)N(C)c1cncc(CCl)n1 c1csc(c1)[*:1] C[C@@H](N(C)c1cncc(CCl)n1)[*:1]
CC[C@H]([NH2+][C@@H](C)c1ccccc1N(C)C)c1c(C)noc1C CN(C)[*:1] CC[C@H]([NH2+][C@@H](C)c1ccccc1[*:1])c1c(C)noc1C
CC[C@H]([NH2+][C@@H](C)c1ccccc1N(C)C)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@H]([NH2+][C@@H](C)c1ccccc1N(C)C)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3cc(C)sc3C)CC2)cc1 CC(=O)N[*:1] Cc1cc(c(C)s1)[C@@H](O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3cc(C)sc3C)CC2)cc1 Cc1cc(c(C)s1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[C@H](O)[*:1]
Cc1cccc([C@H](C)[S@@](=O)CC(=O)N2CCC[C@H](C(N)=O)C2)c1 Cc1cccc(c1)[*:1] C[C@H]([S@@](=O)CC(=O)N1CCC[C@@H](C1)C(N)=O)[*:1]
Cc1cccc([C@H](C)[S@@](=O)CC(=O)N2CCC[C@H](C(N)=O)C2)c1 NC(=O)[*:1] Cc1cccc(c1)[C@H](C)[S@@](=O)CC(=O)N1CCC[C@H](C1)[*:1]
CCc1ccc(C(=O)Nc2sccc2C(=O)NC[C@H]2CCCO2)cc1 CCc1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)c1ccsc1NC(=O)[*:1]
CCCOc1ncccc1CNC(=O)[C@@H](C)c1ccsc1 CCCO[*:1] C[C@H](C(=O)NCc1cccnc1[*:1])c1ccsc1
CCCOc1ncccc1CNC(=O)[C@@H](C)c1ccsc1 c1cc(cs1)[*:1] CCCOc1ncccc1CNC(=O)[C@@H](C)[*:1]
CCCOc1ncccc1CNC(=O)[C@@H](C)c1ccsc1 CCC[*:1] C[C@H](C(=O)NCc1cccnc1O[*:1])c1ccsc1
C[C@H](Sc1n[nH]c(=O)n1C[C@H]1CCCO1)c1cc(F)ccc1F C1CO[C@H](C1)[*:1] C[C@H](Sc1n[nH]c(=O)n1C[*:1])c1cc(F)ccc1F
C[C@H](Sc1n[nH]c(=O)n1C[C@H]1CCCO1)c1cc(F)ccc1F C1CO[C@H](C1)C[*:1] C[C@H](Sc1n[nH]c(=O)n1[*:1])c1cc(F)ccc1F
O=S(=O)(CC1CCC1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 C1CC(C1)[*:1] O=S(=O)(C[*:1])N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1
O=S(=O)(CC1CCC1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(CC1CCC1)N1CCC[C@@H]1C[C@@H](O)[*:1]
O=S(=O)(CC1CCC1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 C1CC(C1)C[*:1] O=S(=O)(N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)[*:1]
CC(C)(C)c1cnnn1-c1ccc(C=CC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)(C)c1cnnn1-c1ccc(C=CC(=O)[*:1])cc1
CC(C)(C)c1cnnn1-c1ccc(C=CC(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] CC(C)(C)c1cnnn1-c1ccc(C=C[*:1])cc1
CC(C)(C)c1cnnn1-c1ccc(C=CC(=O)c2ccccc2)cc1 CC(C)(C)[*:1] O=C(C=Cc1ccc(cc1)-n1nncc1[*:1])c1ccccc1
CC/C(=C\c1cccc(Br)c1)C[NH2+]C(C)C CC(C)[*:1] CC/C(=C\c1cccc(Br)c1)C[NH2+][*:1]
CN(Cc1ccccc1Br)C(=O)COc1cccnc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(Cc1ccccc1Br)C(=O)COc1cccnc1[*:1]
CN(Cc1ccccc1Br)C(=O)COc1cccnc1[N+](=O)[O-] Brc1ccccc1[*:1] CN(C[*:1])C(=O)COc1cccnc1[N+](=O)[O-]
c1cc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc(N2CCCC2)[nH+]1 C1CCN(C1)[*:1] c1cc(cc([nH+]1)[*:1])-c1noc(n1)-c1ccc2OCOc2c1
COc1cccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)n1 COc1cccc(n1)[*:1] O=C(N1C[C@H](O)C[C@H]1c1cc(F)ccc1F)[*:1]
COc1cccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)n1 Fc1ccc(F)c(c1)[*:1] COc1cccc(n1)C(=O)N1C[C@H](O)C[C@@H]1[*:1]
C[C@]12NC(=S)N[C@H](c3cc(Cl)ccc3O1)[C@@H]2C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@]12NC(=S)N[C@H](c3cc(Cl)ccc3O1)[C@@H]2C(=O)N[*:1]
CCn1c(CCNC(=O)/C=C/c2cc(C)c(C)cc2C)n[nH]c1=S CCn1c(n[nH]c1=S)[*:1] Cc1cc(C)c(/C=C/C(=O)NCC[*:1])cc1C
C[C@@H](CO)N(C)C(=O)c1cc(Cl)ccc1O C[C@@H](CO)[*:1] CN(C(=O)c1cc(Cl)ccc1O)[*:1]
O=C(N/N=C/C=C/c1ccccc1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(N/N=C/C=C/c1ccccc1)c1ccccc1[*:1]
O=C(N/N=C/C=C/c1ccccc1)c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(N/N=C/C=C[*:1])c1ccccc1[N+](=O)[O-]
CCOCc1ccc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 N#Cc1ccc(nc1)O[*:1] CCOCc1ccc(cc1)NC(=O)NC1CCC(CC1)[*:1]
CCOCc1ccc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 N#Cc1ccc(nc1)[*:1] CCOCc1ccc(cc1)NC(=O)NC1CCC(CC1)O[*:1]
CCOCc1ccc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 CCOC[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)Nc1ccc(cc1)[*:1]
CCOCc1ccc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 CCO[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)Nc1ccc(cc1)C[*:1]
CSC[C@H](C)C(=O)/N=c1\[nH]c2ccccc2n1C1CCCC1 CSC[*:1] C[C@H](C(=O)/N=c1\[nH]c2ccccc2n1C1CCCC1)[*:1]
CSC[C@H](C)C(=O)/N=c1\[nH]c2ccccc2n1C1CCCC1 C1CCC(C1)[*:1] CSC[C@H](C)C(=O)/N=c1\[nH]c2ccccc2n1[*:1]
CCCn1nc(C)c(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1C CC(C)[*:1] CCCn1nc(C)c(C(=O)N2CCN(CC2)[C@H](C#N)[*:1])c1C
CCCn1nc(C)c(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1C CCC[*:1] Cc1nn(c(C)c1C(=O)N1CCN(CC1)[C@H](C#N)C(C)C)[*:1]
CC[C@H](Nc1ncnc2c1CCCCC2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](Nc1ncnc2CCCCCc21)[*:1]
CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 CC(C)[*:1] O=C(N[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)[*:1])C1CCCCC1
CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 O=C(N[*:1])C1CCCCC1 CC(C)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)[*:1]
CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 C1CCC(CC1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
C[C@@H]1[C@@H](Cl)CC[C@H]1Cc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C[C@@H]1[C@@H](Cl)CC[C@H]1Cc1nc(cs1)[*:1]
Cc1ccsc1CCNC(=O)[C@H]1C=C(c2cccnc2)N=N1 c1cncc(c1)[*:1] Cc1ccsc1CCNC(=O)[C@H]1C=C(N=N1)[*:1]
Cc1ccsc1CCNC(=O)[C@H]1C=C(c2cccnc2)N=N1 Cc1ccsc1[*:1] O=C(NCC[*:1])[C@H]1C=C(N=N1)c1cccnc1
Cc1ccsc1CCNC(=O)[C@H]1C=C(c2cccnc2)N=N1 Cc1ccsc1C[*:1] O=C(NC[*:1])[C@H]1C=C(N=N1)c1cccnc1
C[C@H]1CCN(CCc2nc3ccccc3c(=O)[nH]2)[C@H](c2ccco2)C1 c1coc(c1)[*:1] C[C@H]1CCN(CCc2nc3ccccc3c(=O)[nH]2)[C@H](C1)[*:1]
CCN(CC)C(=O)c1sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C(=O)OC)c1C CCN(CC)C(=O)[*:1] COC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc(c1C)[*:1]
CCN(CC)C(=O)c1sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C(=O)OC)c1C COC(=O)[*:1] CCN(CC)C(=O)c1sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(c1C)[*:1]
O=C(Cc1cccc(F)c1)NCC(c1ccccc1)c1ccccc1 Fc1cccc(c1)C[*:1] O=C(NCC(c1ccccc1)c1ccccc1)[*:1]
O=C(Cc1cccc(F)c1)NCC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cccc(F)c1)NCC(c1ccccc1)[*:1]
O=C(Cc1cccc(F)c1)NCC(c1ccccc1)c1ccccc1 Fc1cccc(c1)[*:1] O=C(C[*:1])NCC(c1ccccc1)c1ccccc1
CCCOc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OC Oc1ccc(cc1)[*:1] CCCOc1cc(/C=C/C(=O)[*:1])ccc1OC
CCCOc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OC CCCO[*:1] COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1[*:1]
CCCOc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OC CCC[*:1] COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1O[*:1]
COCCN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1=O COCC[*:1] O=C(c1cc2cc(F)ccc2[nH]1)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)c1cc2cc(F)ccc2[nH]1
O=C(CNC(=O)c1ccc(Br)cc1Cl)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(Br)cc1Cl)N[*:1]
O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccccc2OC(F)F)CC1 FC(F)[*:1] O=c1[nH]c2ccccc2n1C1CC[NH+](CC1)Cc1ccccc1O[*:1]
O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccccc2OC(F)F)CC1 FC(F)O[*:1] O=c1[nH]c2ccccc2n1C1CC[NH+](CC1)Cc1ccccc1[*:1]
CC(C)CNC(=O)c1cccc(NC(=O)c2cnc3cccnn3c2=O)c1 CC(C)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)c1cnc2cccnn2c1=O
CC(C)CNC(=O)c1cccc(NC(=O)c2cnc3cccnn3c2=O)c1 CC(C)CNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cnc2cccnn2c1=O
CC(C)CNC(=O)c1cccc(NC(=O)c2cnc3cccnn3c2=O)c1 CC(C)C[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1cnc2cccnn2c1=O
O=C(c1ccco1)N1CC[NH+]([C@H]2CCC[C@H](C3CC3)C2)CC1 c1coc(c1)[*:1] O=C(N1CC[NH+](CC1)[C@H]1CCC[C@@H](C1)C1CC1)[*:1]
O=C(c1ccco1)N1CC[NH+]([C@H]2CCC[C@H](C3CC3)C2)CC1 C1CC1[*:1] O=C(c1ccco1)N1CC[NH+](CC1)[C@H]1CCC[C@H](C1)[*:1]
CC[NH+]1CCN(c2cc(CNC(=O)NCc3ccc(Cl)cc3)cc[nH+]2)CC1 Clc1ccc(cc1)C[*:1] CC[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)N[*:1]
CC[NH+]1CCN(c2cc(CNC(=O)NCc3ccc(Cl)cc3)cc[nH+]2)CC1 Clc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)NC[*:1]
CO[C@@H](C)C(=O)Nc1cc(F)ccc1OC(C)C CC(C)O[*:1] CO[C@@H](C)C(=O)Nc1cc(F)ccc1[*:1]
CO[C@@H](C)C(=O)Nc1cc(F)ccc1OC(C)C CO[C@@H](C)[*:1] CC(C)Oc1ccc(F)cc1NC(=O)[*:1]
CO[C@@H](C)C(=O)Nc1cc(F)ccc1OC(C)C CC(C)[*:1] CO[C@@H](C)C(=O)Nc1cc(F)ccc1O[*:1]
Cn1nnnc1-c1cccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c1 Cn1nnnc1[*:1] O=C(CNC(=O)c1ccc(cc1)Oc1ccccc1)Nc1cccc(c1)[*:1]
Cn1nnnc1-c1cccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c1 c1ccc(cc1)O[*:1] Cn1nnnc1-c1cccc(c1)NC(=O)CNC(=O)c1ccc(cc1)[*:1]
Cn1nnnc1-c1cccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c1 c1ccc(cc1)[*:1] Cn1nnnc1-c1cccc(c1)NC(=O)CNC(=O)c1ccc(cc1)O[*:1]
N#C[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] N#C[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(cc1)[*:1]
O=C(C[C@@H](O)c1cccc(F)c1)N1CCCC[C@@H]1C1OCCO1 C1COC(O1)[*:1] O=C(C[C@@H](O)c1cccc(F)c1)N1CCCC[C@H]1[*:1]
O=C(C[C@@H](O)c1cccc(F)c1)N1CCCC[C@@H]1C1OCCO1 Fc1cccc(c1)[*:1] O=C(C[C@@H](O)[*:1])N1CCCC[C@@H]1C1OCCO1
CCn1nc(C(C)C)cc1C(=O)NC[C@H](C)Oc1ccccc1 CC(C)[*:1] CCn1nc(cc1C(=O)NC[C@H](C)Oc1ccccc1)[*:1]
CCn1nc(C(C)C)cc1C(=O)NC[C@H](C)Oc1ccccc1 c1ccc(cc1)O[*:1] CCn1nc(cc1C(=O)NC[C@H](C)[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)NC[C@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] CCn1nc(cc1C(=O)NC[C@H](C)O[*:1])C(C)C
O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(cc1)O[*:1]
O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(cc1)[*:1]
O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(cc1)OC[*:1]
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)c1cccc(Cl)n1 Clc1cccc(n1)[*:1] O=C(NC[C@@H](O)c1cccc(c1)OC(F)F)[*:1]
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)c1cccc(Cl)n1 FC(F)O[*:1] O=C(NC[C@@H](O)c1cccc(c1)[*:1])c1cccc(Cl)n1
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)c1cccc(Cl)n1 FC(F)[*:1] O=C(NC[C@@H](O)c1cccc(c1)O[*:1])c1cccc(Cl)n1
CC[C@](C)(CCO)NC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] CC[C@](C)(CCO)NC(=O)NCC(C)(C)[*:1]
CC[C@](C)(CCO)NC(=O)NCC(C)(C)c1ccncc1 OCC[*:1] CC[C@](C)(NC(=O)NCC(C)(C)c1ccncc1)[*:1]
O=C(CSc1nc2ccccc2o1)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(CSc1nc2ccccc2o1)N[*:1]
Cc1nc(NC(=O)CCOc2ccccc2)ccc1Br c1ccc(cc1)[*:1] Cc1nc(ccc1Br)NC(=O)CCO[*:1]
Clc1ccc2c(c1)[C@H](NCc1nc(C3CC3)cs1)CCC2 C1CC1[*:1] Clc1ccc2CCC[C@@H](NCc3nc(cs3)[*:1])c2c1
O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(Cl)cc2)nc1 O=[N+]([O-])[*:1] O[C@@H](CNc1ccc(cn1)[*:1])c1ccc(Cl)cc1
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cccc(F)c1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1NC(=O)c1cccc(F)c1)[*:1]
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccc(cc1NC(=O)[*:1])C(=O)N1CCOCC1
COc1cc(/C=C/C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc(OC)c1 c1ccc2sc(C[*:1])nc2c1 COc1cc(/C=C/C(=O)N2CCN(CC2)[*:1])cc(c1)OC
COc1cc(/C=C/C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc(OC)c1 c1ccc2sc(nc2c1)[*:1] COc1cc(/C=C/C(=O)N2CCN(CC2)C[*:1])cc(c1)OC
COc1cc(/C=C/C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc(OC)c1 COc1cc(cc(c1)[*:1])OC O=C(C=C[*:1])N1CCN(CC1)Cc1nc2ccccc2s1
CCC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NC2CC2)c1 c1ccc(cc1)[*:1] CCC(=O)Nc1cccc(c1)[C@@H]1OC(=O)N(C[*:1])[C@@H]1C(=O)NC1CC1
CCC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NC2CC2)c1 c1ccc(cc1)C[*:1] CCC(=O)Nc1cccc(c1)[C@@H]1OC(=O)N([C@@H]1C(=O)NC1CC1)[*:1]
CCC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NC2CC2)c1 C1CC1[*:1] CCC(=O)Nc1cccc(c1)[C@@H]1OC(=O)N(Cc2ccccc2)[C@@H]1C(=O)N[*:1]
CCC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] CCC(=O)Nc1cccc(c1)[C@@H]1OC(=O)N(Cc2ccccc2)[C@H]1[*:1]
CCC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NC2CC2)c1 CCC(=O)N[*:1] O=C(NC1CC1)[C@@H]1[C@@H](OC(=O)N1Cc1ccccc1)c1cccc(c1)[*:1]
CCC[C@H](C(=O)NC[C@H](O)c1c(F)cccc1F)c1ccccc1 Fc1cccc(F)c1[*:1] CCC[C@H](C(=O)NC[C@H](O)[*:1])c1ccccc1
CCC[C@H](C(=O)NC[C@H](O)c1c(F)cccc1F)c1ccccc1 CCC[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)[C@H](c1ccccc1)[*:1]
CCC[C@H](C(=O)NC[C@H](O)c1c(F)cccc1F)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](C(=O)NC[C@H](O)c1c(F)cccc1F)[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OC Cc1cccc(c1C)[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])cc(OC)c1OC
C[NH2+]CCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] C[NH2+]CCC(=O)N1CC[C@@H]([C@@H]1C)[*:1]
Cc1cccc(OCCN(C)C(=O)NC2CC[NH+](C)CC2)c1 Cc1cccc(c1)[*:1] CN(CCO[*:1])C(=O)NC1CC[NH+](C)CC1
[NH3+][C@H]1CC[C@@H](Nc2cccc(NC(=O)C3CC3)c2)C1 O=C(N[*:1])C1CC1 [NH3+][C@H]1CC[C@H](C1)Nc1cccc(c1)[*:1]
[NH3+][C@H]1CC[C@@H](Nc2cccc(NC(=O)C3CC3)c2)C1 C1CC1[*:1] [NH3+][C@H]1CC[C@H](C1)Nc1cccc(c1)NC(=O)[*:1]
CCC(=O)Oc1cccc([N+](=O)[O-])c1C CCC(=O)O[*:1] Cc1c(cccc1[*:1])[N+](=O)[O-]
CCC(=O)Oc1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CCC(=O)Oc1cccc(c1C)[*:1]
Cc1oc2ccc(O)cc2c1C(=O)N(C)CCOc1ccccc1 c1ccc(cc1)OC[*:1] Cc1oc2ccc(O)cc2c1C(=O)N(C)C[*:1]
Cc1oc2ccc(O)cc2c1C(=O)N(C)CCOc1ccccc1 c1ccc(cc1)O[*:1] Cc1oc2ccc(O)cc2c1C(=O)N(C)CC[*:1]
Cc1oc2ccc(O)cc2c1C(=O)N(C)CCOc1ccccc1 c1ccc(cc1)[*:1] Cc1oc2ccc(O)cc2c1C(=O)N(C)CCO[*:1]
O=C([O-])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)CCl O[C@H](CCl)[*:1] O=C([O-])[C@@H](Cc1ccccc1)[NH2+]C[*:1]
O=C([O-])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)CCl O=C([O-])[*:1] O[C@H](CCl)C[NH2+][C@H](Cc1ccccc1)[*:1]
CCOC(=O)c1sc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)nc1C(C)C CC(C)[*:1] CCOC(=O)c1sc(nc1[*:1])NC(=O)C1C[C@H](C)O[C@@H](C)C1
CCOC(=O)c1sc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)nc1C(C)C CCOC(=O)[*:1] CC(C)c1nc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)sc1[*:1]
CC(C)CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1 CC(C)CCO[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CC(C)CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1 CC(C)C[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)c1ccc(cc1)OC[*:1]
CC(C)CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1 CC(C)CC[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)c1ccc(cc1)O[*:1]
CC(C)CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1 CC(C)[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)c1ccc(cc1)OCC[*:1]
Cc1cccc(C(=O)N[C@H](C)C(=O)N[C@H]2CCC[C@H](C)C2)c1 C[C@H]1CCC[C@@H](C1)[*:1] Cc1cccc(c1)C(=O)N[C@H](C)C(=O)N[*:1]
Cc1cccc(C(=O)N[C@H](C)C(=O)N[C@H]2CCC[C@H](C)C2)c1 Cc1cccc(c1)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)[C@@H](C)NC(=O)[*:1]
CC/[NH+]=C(/NCC1(O)CCOCC1)N1CC[C@H]([NH+]2CCCC2)C1 OC1(CCOCC1)[*:1] CC/[NH+]=C(/NC[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
COc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1OC N#Cc1cccc(c1)[*:1] COc1ccc(cc1OC)C[NH+]1CCC(CC1)O[*:1]
COC(=O)c1cc(C(=O)NCCc2cc3ccccc3o2)ccn1 COC(=O)[*:1] O=C(NCCc1cc2ccccc2o1)c1ccnc(c1)[*:1]
[NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1 c1nnnn1[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)Nc1cc(ccc1Cl)[*:1]
C#CCNC(=O)N(CC)[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] C#CCNC(=O)N(CC)[C@H]1CCN(C1=O)[*:1]
C#CCNC(=O)N(CC)[C@H]1CCN(c2ccccc2)C1=O C#CC[*:1] CCN(C(=O)N[*:1])[C@H]1CCN(C1=O)c1ccccc1
COCCNC(=O)c1ccccc1SC(C)C COC[*:1] CC(C)Sc1ccccc1C(=O)NC[*:1]
COCCNC(=O)c1ccccc1SC(C)C COCC[*:1] CC(C)Sc1ccccc1C(=O)N[*:1]
COCCNC(=O)c1ccccc1SC(C)C CC(C)[*:1] COCCNC(=O)c1ccccc1S[*:1]
COCCNC(=O)c1ccccc1SC(C)C CC(C)S[*:1] COCCNC(=O)c1ccccc1[*:1]
O=C(NCc1ccc(C(=O)[O-])o1)N[C@@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] O=C(NCc1ccc(o1)[*:1])N[C@@H]1CCS(=O)(=O)C1
CCC(C)(CC)NC(=O)Nc1ccc(C)cc1F CCC(C)(CC)[*:1] Cc1ccc(NC(=O)N[*:1])c(F)c1
Cc1ccc2sc(N(Cc3ccccn3)C(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc2c1C c1ccc(C[*:1])nc1 Cc1ccc2sc(nc2c1C)N(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)[*:1]
Cc1ccc2sc(N(Cc3ccccn3)C(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc2c1C c1ccc(nc1)[*:1] Cc1ccc2sc(nc2c1C)N(C[*:1])C(=O)CS(=O)(=O)c1ccc(Cl)cc1
Cc1ccc2sc(N(Cc3ccccn3)C(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc2c1C O=S(=O)(c1ccc(Cl)cc1)[*:1] Cc1ccc2sc(nc2c1C)N(Cc1ccccn1)C(=O)C[*:1]
Cc1ccc2sc(N(Cc3ccccn3)C(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc2c1C Clc1ccc(cc1)[*:1] Cc1ccc2sc(nc2c1C)N(Cc1ccccn1)C(=O)CS(=O)(=O)[*:1]
Fc1ccc(C=NNC(=S)N/N=C/c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Fc1ccc(/C=N/NC(=S)NN=C[*:1])cc1
C[C@H](CC(N)=S)NC(=O)C[C@H]1CCCCO1 NC(=S)C[*:1] C[C@H](NC(=O)C[C@H]1CCCCO1)[*:1]
C[C@H](CC(N)=S)NC(=O)C[C@H]1CCCCO1 NC(=S)[*:1] C[C@H](C[*:1])NC(=O)C[C@H]1CCCCO1
O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1ccc(cc1)[*:1]
O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1ccc([N+](=O)[O-])cc1 O=C(c1ccc(cc1)[N+](=O)[O-])[*:1] O=C(OC[*:1])c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
COc1ccccc1N1CCN(C(=O)C(=O)NCCNC(=O)[C@@H]2C=c3ccccc3=[NH+]2)CC1 COc1ccccc1[*:1] O=C(NCCNC(=O)[C@@H]1C=c2ccccc2=[NH+]1)C(=O)N1CCN(CC1)[*:1]
Cn1cnn(-c2ccc(Nc3ncnc4ccc(F)cc34)cc2)c1=O Cn1cnn(c1=O)[*:1] Fc1ccc2ncnc(Nc3ccc(cc3)[*:1])c2c1
C[C@H]1c2ccc(O)cc2OC(=O)[C@@H]1CC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-] O=C([O-])[*:1] C[C@H]1c2ccc(O)cc2OC(=O)[C@@H]1CC(=O)N[C@@H](CC1C[NH+]=c2ccccc2=1)[*:1]
CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(COC)ncn2)C1 COC[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1cc(ncn1)[*:1]
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(c1)[*:1]
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)S(=O)(=O)N1CCCCC1
CN(C1CCC(C)(C)CC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CN(C1CCC(C)(C)CC1)S(=O)(=O)c1ccc(cc1)[*:1]
N#Cc1nccnc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 N#Cc1nccnc1[*:1] O=S(=O)(c1ccc(cc1)O[*:1])N1CCCCC1
O=[N+]([O-])c1c(Nc2ccc(F)cc2F)ncnc1Oc1cccc2cccnc12 Fc1ccc(N[*:1])c(F)c1 O=[N+]([O-])c1c(ncnc1[*:1])Oc1cccc2cccnc12
O=[N+]([O-])c1c(Nc2ccc(F)cc2F)ncnc1Oc1cccc2cccnc12 O=[N+]([O-])[*:1] Fc1ccc(Nc2ncnc(Oc3cccc4cccnc34)c2[*:1])c(F)c1
O=[N+]([O-])c1c(Nc2ccc(F)cc2F)ncnc1Oc1cccc2cccnc12 Fc1ccc(c(F)c1)[*:1] O=[N+]([O-])c1c(ncnc1Oc1cccc2cccnc12)N[*:1]
Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCC(=O)[O-])cc1F O=C([O-])[*:1] Cc1ccc(cc1F)[C@@H](C)[NH2+][C@@H](C)CC[*:1]
Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCC(=O)[O-])cc1F O=C([O-])C[*:1] Cc1ccc(cc1F)[C@@H](C)[NH2+][C@@H](C)C[*:1]
COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2 c1cncc(c1)[*:1] COC(=O)c1c(sc2CCCCc21)N1C(N)=C(C#N)[C@@H](C2C(=O)CC(C)(C)CC=21)[*:1]
COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2 COC(=O)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2c1cccnc1)c1sc2CCCCc2c1[*:1]
Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 NS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N(C)Cc1ccc(o1)[C@H]1C[C@@H]1C)[*:1]
CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)C1C[C@H](C)O[C@@H](C)C1 Fc1ccc(cc1)[*:1] CCOC(=O)CN(C[*:1])C(=O)C1C[C@H](C)O[C@@H](C)C1
CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)C1C[C@H](C)O[C@@H](C)C1 CCOC(=O)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(Cc1ccc(F)cc1)[*:1]
CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)C1C[C@H](C)O[C@@H](C)C1 Fc1ccc(cc1)C[*:1] CCOC(=O)CN(C(=O)C1C[C@H](C)O[C@@H](C)C1)[*:1]
CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)C1C[C@H](C)O[C@@H](C)C1 CCOC(=O)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(Cc1ccc(F)cc1)C[*:1]
O=C1C[C@@H](c2ccc(F)c(Br)c2)[C@@H]2C(=O)N=C(SCc3ccc(F)cc3)N=C2N1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](c2ccc(F)c(Br)c2)[C@@H]2C(=O)N=C(N=C2N1)SC[*:1]
O=C1C[C@@H](c2ccc(F)c(Br)c2)[C@@H]2C(=O)N=C(SCc3ccc(F)cc3)N=C2N1 Fc1ccc(cc1)C[*:1] O=C1C[C@@H](c2ccc(F)c(Br)c2)[C@@H]2C(=O)N=C(N=C2N1)S[*:1]
O=C1C[C@@H](c2ccc(F)c(Br)c2)[C@@H]2C(=O)N=C(SCc3ccc(F)cc3)N=C2N1 Fc1ccc(cc1Br)[*:1] O=C1C[C@@H]([C@@H]2C(=O)N=C(N=C2N1)SCc1ccc(F)cc1)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)[nH+]c2)no1 Fc1ccc(cc1)O[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)C[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)[nH+]c2)no1 Fc1ccc(cc1)OC[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)[nH+]c2)no1 Cc1nc(no1)[*:1] O=C(COc1ccc(F)cc1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)[nH+]c2)no1 Fc1ccc(cc1)[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)CO[*:1]
CCCn1nc(C(=O)NC2CC[NH+](CC(N)=O)CC2)ccc1=O NC(=O)C[*:1] CCCn1nc(ccc1=O)C(=O)NC1CC[NH+](CC1)[*:1]
CCCn1nc(C(=O)NC2CC[NH+](CC(N)=O)CC2)ccc1=O NC(=O)[*:1] CCCn1nc(ccc1=O)C(=O)NC1CC[NH+](CC1)C[*:1]
CCCn1nc(C(=O)NC2CC[NH+](CC(N)=O)CC2)ccc1=O CCC[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)c1ccc(=O)n(n1)[*:1]
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1Cl Clc1ccccc1[*:1] Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1c[nH]nc1[*:1]
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1Cl Cc1nn(C)c(C)c1[*:1] C[C@H](C[*:1])NC(=O)c1c[nH]nc1-c1ccccc1Cl
Cc1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)s1 Cc1nnc(s1)[*:1] Cn1cc(cn1)C[C@@H]1CCN(C1)[*:1]
Cc1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)s1 Cn1cc(cn1)[*:1] Cc1nnc(s1)N1CC[C@H](C1)C[*:1]
COC(=O)C1=C(N)N2C(=O)CCSC2=C(C#N)[C@@H]1c1cccs1 COC(=O)[*:1] N#CC1=C2SCCC(=O)N2C(N)=C([C@H]1c1cccs1)[*:1]
COC(=O)C1=C(N)N2C(=O)CCSC2=C(C#N)[C@@H]1c1cccs1 c1csc(c1)[*:1] COC(=O)C1=C(N)N2C(=O)CCSC2=C(C#N)[C@H]1[*:1]
NC(=O)c1cccc(CNC(=O)NCC[NH+]2CCCCC2)c1 NC(=O)[*:1] O=C(NCC[NH+]1CCCCC1)NCc1cccc(c1)[*:1]
C=CCOc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc1 C=CC[*:1] CCC(=O)N1c2ccccc2-c2nnc(nc2O[C@H]1c1ccc(cc1)O[*:1])SC
C=CCOc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc1 C=CCOc1ccc(cc1)[*:1] CCC(=O)N1c2ccccc2-c2nnc(nc2O[C@H]1[*:1])SC
C=CCOc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc1 C=CCO[*:1] CCC(=O)N1c2ccccc2-c2nnc(nc2O[C@H]1c1ccc(cc1)[*:1])SC
Fc1ccc([C@@H]2N=[NH+]C(=S)N2/N=C/c2ccccc2)cc1 Fc1ccc(cc1)[*:1] S=C1[NH+]=N[C@H](N1/N=C/c1ccccc1)[*:1]
Fc1ccc([C@@H]2N=[NH+]C(=S)N2/N=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)[C@@H]1N=[NH+]C(=S)N1N=C[*:1]
C[NH+](C)CC(=O)NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1 O=C(N[*:1])C1CC1 C[NH+](C)CC(=O)NC1(C#Cc2ccc(nc2)[*:1])CCCCC1
C[NH+](C)CC(=O)NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1 C1CC1[*:1] C[NH+](C)CC(=O)NC1(C#Cc2ccc(nc2)NC(=O)[*:1])CCCCC1
COc1ccc(OC)c(N2CCN(CC(=O)NCc3ccc(F)cc3)C2=O)c1 Fc1ccc(cc1)C[*:1] COc1ccc(OC)c(c1)N1CCN(CC(=O)N[*:1])C1=O
COc1ccc(OC)c(N2CCN(CC(=O)NCc3ccc(F)cc3)C2=O)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)N1CCN(CC(=O)NC[*:1])C1=O
CC[C@H](Sc1nc([O-])c(C#N)c(-c2ccc(OC)cc2)n1)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@H](Sc1nc([O-])c(C#N)c(n1)-c1ccc(cc1)OC)C(=O)N[*:1]
CC[C@H](Sc1nc([O-])c(C#N)c(-c2ccc(OC)cc2)n1)C(=O)Nc1cc(C)on1 Cc1cc(no1)NC(=O)[*:1] CC[C@H](Sc1nc([O-])c(C#N)c(n1)-c1ccc(cc1)OC)[*:1]
CC[C@H](Sc1nc([O-])c(C#N)c(-c2ccc(OC)cc2)n1)C(=O)Nc1cc(C)on1 COc1ccc(cc1)[*:1] CC[C@H](Sc1nc([O-])c(C#N)c(n1)[*:1])C(=O)Nc1cc(C)on1
COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(Cl)cc3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)NC1C[C@](C)(O)[C@H](C(C)=O)[C@@H](C=1C(C)=O)[*:1]
COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(Cl)cc3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 COc1ccc(cc1)N[*:1] CC(=O)C1=C(C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1)[*:1]
COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(Cl)cc3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 CC(=O)[*:1] COc1ccc(cc1)NC1C[C@](C)(O)[C@H]([C@H](C=1C(C)=O)c1ccc(Cl)cc1)[*:1]
COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(Cl)cc3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 CC(=O)[*:1] COc1ccc(cc1)NC1C[C@](C)(O)[C@H](C(C)=O)[C@H](C=1[*:1])c1ccc(Cl)cc1
COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(Cl)cc3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 COc1ccc(cc1)[*:1] CC(=O)C1=C(C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1)N[*:1]
O=C(NCc1ccc(-n2cncn2)nc1)N(C[C@H]1CCOC1)C1CC1 c1ncn(n1)[*:1] O=C(NCc1ccc(nc1)[*:1])N(C[C@H]1CCOC1)C1CC1
O=C(NCc1ccc(-n2cncn2)nc1)N(C[C@H]1CCOC1)C1CC1 C1CC1[*:1] O=C(NCc1ccc(nc1)-n1cncn1)N(C[C@H]1CCOC1)[*:1]
Cc1occc1C(=O)NC[C@@H](O)c1ccc(F)cc1 Cc1occc1[*:1] O=C(NC[C@@H](O)c1ccc(F)cc1)[*:1]
C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C#N)C1 Fc1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)C=C[*:1])c2C#N
CSC[C@@H](C)NC(=O)NCc1ccc(Br)s1 CSC[*:1] C[C@@H](NC(=O)NCc1ccc(Br)s1)[*:1]
CSC[C@@H](C)NC(=O)NCc1ccc(Br)s1 CSC[C@@H](C)[*:1] O=C(NCc1ccc(Br)s1)N[*:1]
O=C(c1cc(Cl)ccc1F)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2cccc[nH+]2)CC1 Fc1ccc(Cl)cc1[*:1] O=C([C@H]1CC12CCN(CC2)C(=O)[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C1/C(=C/c2ccccc2)Oc2cc(OC(=O)C3CCCCC3)ccc21 C1CCC(CC1)[*:1] O=C1/C(=C/c2ccccc2)Oc2cc(ccc21)OC(=O)[*:1]
O=C1/C(=C/c2ccccc2)Oc2cc(OC(=O)C3CCCCC3)ccc21 c1ccc(cc1)[*:1] O=C1C(=C[*:1])Oc2cc(ccc21)OC(=O)C1CCCCC1
N#C[C@@H](C(=O)c1ccccc1)c1nc([O-])c2c3c(sc2n1)CCCC3 O=C(c1ccccc1)[*:1] N#C[C@@H](c1nc([O-])c2c3CCCCc3sc2n1)[*:1]
N#C[C@@H](C(=O)c1ccccc1)c1nc([O-])c2c3c(sc2n1)CCCC3 c1ccc(cc1)[*:1] N#C[C@@H](C(=O)[*:1])c1nc([O-])c2c3CCCCc3sc2n1
Clc1ccccc1[C@@H]1C=C(c2ccc(Br)cc2)N=C2NN=NN21 Clc1ccccc1[*:1] Brc1ccc(cc1)C1=C[C@H](N2N=NNC2=N1)[*:1]
Clc1ccccc1[C@@H]1C=C(c2ccc(Br)cc2)N=C2NN=NN21 Brc1ccc(cc1)[*:1] Clc1ccccc1[C@@H]1C=C(N=C2NN=NN21)[*:1]
O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)NCc1ccccn1 Fc1ccc(cc1)S[*:1] O=C(NCc1ccc(cc1)[*:1])NCc1ccccn1
O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(NCc1ccc(cc1)Sc1ccc(F)cc1)NC[*:1]
O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)NCc1ccccn1 Fc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)S[*:1])NCc1ccccn1
O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(NCc1ccc(cc1)Sc1ccc(F)cc1)N[*:1]
Nc1ccccc1C(=O)NNc1ncnc2ccccc12 Nc1ccccc1[*:1] O=C(NNc1ncnc2ccccc12)[*:1]
CCC[NH+](CC)Cc1ccc(C(=O)OC)cn1 CCC[*:1] CC[NH+](Cc1ccc(cn1)C(=O)OC)[*:1]
CCC[NH+](CC)Cc1ccc(C(=O)OC)cn1 COC(=O)[*:1] CCC[NH+](CC)Cc1ccc(cn1)[*:1]
Fc1ccc(/C=C/CN2CCO[C@@H](c3ccsc3)C2)cc1 c1cc(cs1)[*:1] Fc1ccc(/C=C/CN2CCO[C@@H](C2)[*:1])cc1
Fc1ccc(/C=C/CN2CCO[C@@H](c3ccsc3)C2)cc1 Fc1ccc(cc1)[*:1] C(=C[*:1])CN1CCO[C@H](C1)c1ccsc1
C[C@H](C(=O)c1ccc(F)cc1F)n1cnc2c1c(=O)n(C)c(=O)n2C Fc1ccc(c(F)c1)[*:1] C[C@H](C(=O)[*:1])n1cnc2c1c(=O)n(C)c(=O)n2C
CC(=O)Nc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 CC(=O)N[*:1] O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 O=C(N[*:1])c1ccccc1Cl CC(=O)Nc1ccc(cc1)NC(=O)C[C@H](c1ccccc1)[*:1]
CC(=O)Nc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)[*:1]
CC(=O)Nc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 Clc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C[C@H](NC(=O)[*:1])c1ccccc1
CC(=O)Nc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[*:1]
CCOC1CCN(C(=O)C[NH2+]CCOC)CC1 COC[*:1] CCOC1CCN(CC1)C(=O)C[NH2+]C[*:1]
CCOC1CCN(C(=O)C[NH2+]CCOC)CC1 CCO[*:1] COCC[NH2+]CC(=O)N1CCC(CC1)[*:1]
CCOC1CCN(C(=O)C[NH2+]CCOC)CC1 COCC[*:1] CCOC1CCN(CC1)C(=O)C[NH2+][*:1]
CC(=O)N(C)c1cccc(NC(=O)COc2cccc(C)c2)c1 CC(=O)N(C)[*:1] Cc1cccc(c1)OCC(=O)Nc1cccc(c1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)COc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)CO[*:1]
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1OC CC(C)[*:1] COc1ccc(cc1OC)S(=O)(=O)Nc1ccc2OCC(C)(C)C(=O)N(C[*:1])c2c1
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)S(=O)(=O)Nc1ccc2OCC(C)(C)C(=O)N(c2c1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1OC COc1ccc(cc1OC)[*:1] CC(C)CN1C(=O)C(C)(C)COc2ccc(cc21)NS(=O)(=O)[*:1]
O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)C1CCC(=O)N(C[*:1])N=1
O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)C1CCC(=O)N(N=1)[*:1]
CCC(CC)C(=O)NCc1nn(C)c(=O)c2ccccc12 CCC(CC)[*:1] Cn1nc(CNC(=O)[*:1])c2ccccc2c1=O
C[NH+]1CCN(NC(=O)CCSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 FC(F)(F)[*:1] C[NH+]1CCN(CC1)NC(=O)CCSc1nc(cc(n1)[*:1])-c1ccccc1
C[NH+]1CCN(NC(=O)CCSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)NC(=O)CCSc1nc(cc(n1)[*:1])C(F)(F)F
CC(=O)c1c(C)[nH]c(C(=O)OCc2cn3ccccc3c2C#N)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)OCc2cn3ccccc3c2C#N)c(C)c1[*:1]
CCOc1ccc2ccccc2c1C(=O)NC[C@@H](c1ccco1)N1CCOCC1 c1coc(c1)[*:1] CCOc1ccc2ccccc2c1C(=O)NC[C@@H](N1CCOCC1)[*:1]
CCOc1ccc2ccccc2c1C(=O)NC[C@@H](c1ccco1)N1CCOCC1 CCO[*:1] O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1c(ccc2ccccc12)[*:1]
CCOc1ccc2ccccc2c1C(=O)NC[C@@H](c1ccco1)N1CCOCC1 C1CN(CCO1)[*:1] CCOc1ccc2ccccc2c1C(=O)NC[C@@H](c1ccco1)[*:1]
Fc1cccc(-c2nnc3sc(-c4ccncc4)nn23)c1 Fc1cccc(c1)[*:1] c1cc(ccn1)-c1nn2c(nnc2s1)[*:1]
Fc1cccc(-c2nnc3sc(-c4ccncc4)nn23)c1 c1cc(ccn1)[*:1] Fc1cccc(c1)-c1nnc2sc(nn12)[*:1]
CC(C)(C)c1cc(NC(=O)C2CCC2)no1 CC(C)(C)[*:1] O=C(Nc1cc(on1)[*:1])C1CCC1
CC(C)(C)c1cc(NC(=O)C2CCC2)no1 C1CC(C1)[*:1] CC(C)(C)c1cc(no1)NC(=O)[*:1]
Cc1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(cc1C(F)(F)F)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(C#N)c(c1)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)NC2(CO)CCCC2)cc1 CC(C)[*:1] O=C(C[*:1])Nc1ccc(cc1)NC(=O)NC1(CO)CCCC1
CC(C)CC(=O)Nc1ccc(NC(=O)NC2(CO)CCCC2)cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])NC1(CO)CCCC1
CC(C)CC(=O)Nc1ccc(NC(=O)NC2(CO)CCCC2)cc1 OCC1(CCCC1)[*:1] CC(C)CC(=O)Nc1ccc(cc1)NC(=O)N[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)NC2(CO)CCCC2)cc1 CC(C)CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])NC1(CO)CCCC1
CC[C@H](C)CN(CC)C(=O)[C@@H](/C(N)=N/O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)CN(CC)C(=O)[C@@H](/C(N)=N/O)[*:1]
CC[C@H](C)CN(CC)C(=O)[C@@H](/C(N)=N/O)c1ccccc1 N/C(=N\O)[*:1] CC[C@H](C)CN(CC)C(=O)[C@@H](c1ccccc1)[*:1]
CC[C@H](C)CN(CC)C(=O)[C@@H](/C(N)=N/O)c1ccccc1 CC[C@H](C)C[*:1] CCN(C(=O)[C@@H](/C(N)=N/O)c1ccccc1)[*:1]
CC[C@H](C)CN(CC)C(=O)[C@@H](/C(N)=N/O)c1ccccc1 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)[C@@H](/C(N)=N/O)c1ccccc1
Cc1ccc([C@H](C)[NH2+]CCOc2cccnc2)s1 c1cncc(c1)[*:1] Cc1ccc(s1)[C@H](C)[NH2+]CCO[*:1]
Cc1ccc([C@H](C)[NH2+]CCOc2cccnc2)s1 Cc1ccc(s1)[*:1] C[C@H]([NH2+]CCOc1cccnc1)[*:1]
O=C1CSc2cc(C(=O)N3CCCN(C(=O)Cc4ccccc4)CC3)ccc2N1 c1ccc(cc1)C[*:1] O=C1CSc2cc(ccc2N1)C(=O)N1CCCN(CC1)C(=O)[*:1]
O=C1CSc2cc(C(=O)N3CCCN(C(=O)Cc4ccccc4)CC3)ccc2N1 c1ccc(cc1)[*:1] O=C1CSc2cc(ccc2N1)C(=O)N1CCCN(CC1)C(=O)C[*:1]
COc1cccc(OCc2ccc(C(=O)Nc3cccc(C)n3)o2)c1 COc1cccc(c1)[*:1] Cc1cccc(n1)NC(=O)c1ccc(CO[*:1])o1
COc1cccc(OCc2ccc(C(=O)Nc3cccc(C)n3)o2)c1 Cc1cccc(n1)[*:1] COc1cccc(c1)OCc1ccc(o1)C(=O)N[*:1]
Cc1cccc(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CC(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1cccc(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 Cc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)C[*:1])c1ccccc1
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC1)Cc1cc(O)ccc1[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
O=C(N1CCN(CCc2ccccc2)CC1)C1(c2cc(-c3cccs3)on2)CC1 c1ccc(cc1)CC[*:1] O=C(N1CCN(CC1)[*:1])C1(CC1)c1cc(on1)-c1cccs1
O=C(N1CCN(CCc2ccccc2)CC1)C1(c2cc(-c3cccs3)on2)CC1 c1csc(c1)[*:1] O=C(N1CCN(CCc2ccccc2)CC1)C1(CC1)c1cc(on1)[*:1]
O=C(N1CCN(CCc2ccccc2)CC1)C1(c2cc(-c3cccs3)on2)CC1 c1ccc(cc1)C[*:1] O=C(N1CCN(CC1)C[*:1])C1(CC1)c1cc(on1)-c1cccs1
O=C(N1CCN(CCc2ccccc2)CC1)C1(c2cc(-c3cccs3)on2)CC1 c1ccc(cc1)[*:1] O=C(N1CCN(CC1)CC[*:1])C1(CC1)c1cc(on1)-c1cccs1
CCn1cnnc1-c1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 CCn1cnnc1[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(CN(C)C(=O)[C@H](C)CCc2ccccc2F)no1 Cc1cc(no1)[*:1] C[C@H](CCc1ccccc1F)C(=O)N(C)C[*:1]
Cc1cc(CN(C)C(=O)[C@H](C)CCc2ccccc2F)no1 Fc1ccccc1[*:1] Cc1cc(CN(C)C(=O)[C@H](C)CC[*:1])no1
Cc1cc(CN(C)C(=O)[C@H](C)CCc2ccccc2F)no1 Cc1cc(C[*:1])no1 C[C@H](CCc1ccccc1F)C(=O)N(C)[*:1]
COc1ccccc1-n1c(S[C@H](C)C(N)=O)nc2ccccc2c1=O NC(=O)[*:1] COc1ccccc1-n1c(nc2ccccc2c1=O)S[C@H](C)[*:1]
COc1ccccc1-n1c(S[C@H](C)C(N)=O)nc2ccccc2c1=O COc1ccccc1[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1[*:1])C(N)=O
CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O CCC[*:1] COc1ccc(c(c1)OC)N1C[C@@H](C)Cn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O COc1ccc(c(c1)OC)[*:1] CCCCn1c(=O)c2c(nc3N(C[C@@H](C)Cn32)[*:1])n(C)c1=O
CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O CCCC[*:1] COc1ccc(c(c1)OC)N1C[C@@H](C)Cn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
CC[C@H](C)S[C@@H]1CCC[C@]([NH2+]C)(C(=O)OC)C1 CC[C@H](C)S[*:1] C[NH2+][C@@]1(CCC[C@H](C1)[*:1])C(=O)OC
CC[C@H](C)S[C@@H]1CCC[C@]([NH2+]C)(C(=O)OC)C1 CC[C@H](C)[*:1] C[NH2+][C@@]1(CCC[C@H](C1)S[*:1])C(=O)OC
CC[C@H](C)S[C@@H]1CCC[C@]([NH2+]C)(C(=O)OC)C1 COC(=O)[*:1] CC[C@H](C)S[C@@H]1CCC[C@@](C1)([NH2+]C)[*:1]
C[C@@H](c1cccc(-c2ccc(O)c(-c3ccno3)c2)c1)[NH+]1CCCC1 c1cc(on1)[*:1] C[C@@H](c1cccc(c1)-c1ccc(O)c(c1)[*:1])[NH+]1CCCC1
Cc1ccn2c(CN3CC[C@H](NS(C)(=O)=O)C3)cnc2c1 CS(=O)(=O)N[*:1] Cc1ccn2c(cnc2c1)CN1CC[C@H](C1)[*:1]
C[NH2+][C@@H](CCOc1ccccc1)[C@@H]1CCc2cccnc21 c1ccc(cc1)O[*:1] C[NH2+][C@@H](CC[*:1])[C@@H]1CCc2cccnc21
C[NH2+][C@@H](CCOc1ccccc1)[C@@H]1CCc2cccnc21 c1ccc(cc1)[*:1] C[NH2+][C@@H](CCO[*:1])[C@@H]1CCc2cccnc21
C[NH+](Cc1ccccc1)CC(C)(C)Nc1cncc(C(N)=O)n1 c1ccc(cc1)C[*:1] C[NH+](CC(C)(C)Nc1cncc(n1)C(N)=O)[*:1]
C[NH+](Cc1ccccc1)CC(C)(C)Nc1cncc(C(N)=O)n1 c1ccc(cc1)[*:1] C[NH+](CC(C)(C)Nc1cncc(n1)C(N)=O)C[*:1]
C[NH+](Cc1ccccc1)CC(C)(C)Nc1cncc(C(N)=O)n1 NC(=O)[*:1] C[NH+](Cc1ccccc1)CC(C)(C)Nc1cncc(n1)[*:1]
COCc1cccc2c1C[C@H](C)[C@@H]2[NH3+] COC[*:1] C[C@H]1Cc2c(cccc2[*:1])[C@H]1[NH3+]
Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC1=CCOCC1 CC(C)(C)[*:1] Cc1nc(sc1[C@@H](C)[NH2+]CCC1=CCOCC1)[*:1]
Nc1nc(SCc2nnc(-c3ccccc3Br)o2)n[nH]1 Nc1nc(n[nH]1)[*:1] Brc1ccccc1-c1nnc(CS[*:1])o1
CC(C)Oc1ccc2c(C(=O)Nc3ccccc3Cl)cc(=O)oc2c1 Clc1ccccc1[*:1] CC(C)Oc1ccc2c(cc(=O)oc2c1)C(=O)N[*:1]
CC(C)Oc1ccc2c(C(=O)Nc3ccccc3Cl)cc(=O)oc2c1 CC(C)[*:1] O=C(Nc1ccccc1Cl)c1cc(=O)oc2cc(ccc12)O[*:1]
CC(C)Oc1ccc2c(C(=O)Nc3ccccc3Cl)cc(=O)oc2c1 CC(C)O[*:1] O=C(Nc1ccccc1Cl)c1cc(=O)oc2cc(ccc12)[*:1]
COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 COC(=O)c1ccc(cc1)[*:1] COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1[*:1]
COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 COC(=O)[*:1] COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(cc1)[*:1]
COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 COC[*:1] COC(=O)c1ccc(cc1)[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1C[*:1]
COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 COCC[*:1] COC(=O)c1ccc(cc1)[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
Cc1ccc(CN(C(=O)C[S@@](=O)c2ncccc2Cl)C2CC2)o1 Cc1ccc(o1)[*:1] O=C(C[S@@](=O)c1ncccc1Cl)N(C[*:1])C1CC1
Cc1ccc(CN(C(=O)C[S@@](=O)c2ncccc2Cl)C2CC2)o1 Cc1ccc(C[*:1])o1 O=C(C[S@@](=O)c1ncccc1Cl)N(C1CC1)[*:1]
Cc1ccc(CN(C(=O)C[S@@](=O)c2ncccc2Cl)C2CC2)o1 C1CC1[*:1] Cc1ccc(CN(C(=O)C[S@@](=O)c2ncccc2Cl)[*:1])o1
Cc1ccc(CN(C(=O)C[S@@](=O)c2ncccc2Cl)C2CC2)o1 Clc1cccnc1[*:1] Cc1ccc(CN(C(=O)C[S@@](=O)[*:1])C2CC2)o1
CCCn1nnnc1NC(=O)/C=C/c1ccccc1 CCC[*:1] O=C(/C=C/c1ccccc1)Nc1nnnn1[*:1]
CCCn1nnnc1NC(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CCCn1nnnc1NC(=O)C=C[*:1]
CC(C)C[NH+](CC(N)=O)CC(C)(C)C CC(C)C[*:1] CC(C)(C)C[NH+](CC(N)=O)[*:1]
CC(C)C[NH+](CC(N)=O)CC(C)(C)C NC(=O)C[*:1] CC(C)C[NH+](CC(C)(C)C)[*:1]
CC(C)C[NH+](CC(N)=O)CC(C)(C)C CC(C)(C)[*:1] CC(C)C[NH+](CC(N)=O)C[*:1]
CC(C)C[NH+](CC(N)=O)CC(C)(C)C CC(C)[*:1] CC(C)(C)C[NH+](CC(N)=O)C[*:1]
CC(C)C[NH+](CC(N)=O)CC(C)(C)C NC(=O)[*:1] CC(C)C[NH+](CC(C)(C)C)C[*:1]
C[NH+](CC(=O)[O-])Cc1cccc2c1OCCO2 O=C([O-])[*:1] C[NH+](Cc1cccc2OCCOc12)C[*:1]
Cc1ccc(C2(Cc3cscn3)C[NH2+]C2)cc1 c1nc(cs1)[*:1] Cc1ccc(cc1)C1(C[NH2+]C1)C[*:1]
Cc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)cc(C)[nH+]1 c1ccc(C[*:1])nc1 Cc1cc(cc(C)[nH+]1)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
Cc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)cc(C)[nH+]1 c1ccc(nc1)[*:1] Cc1cc(cc(C)[nH+]1)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
O=C(NCCc1ccc2c(c1)CCO2)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(NCCc1ccc2OCCc2c1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@H]2CCCN(c3cnc4nccnc4c3)C2)ccc1F Cc1cc(ccc1F)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1cnc2nccnc2c1
C[C@@H](CO)NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] C[C@@H](CO)NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](CO)NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 C[C@@H](CO)[*:1] CC(C)(C)N1C[C@@H](CC1=O)NC(=O)N[*:1]
Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)CNS(=O)(=O)[*:1]
CC(C)C[NH2+]C[C@@]1(c2ccc(Cl)cc2Cl)CC[C@@H]1C CC(C)[*:1] C[C@H]1CC[C@@]1(C[NH2+]C[*:1])c1ccc(Cl)cc1Cl
CC(C)C[NH2+]C[C@@]1(c2ccc(Cl)cc2Cl)CC[C@@H]1C CC(C)C[*:1] C[C@H]1CC[C@@]1(C[NH2+][*:1])c1ccc(Cl)cc1Cl
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 O=C1c2ccccc2C(=O)N1[*:1] O=C(CC[*:1])Nc1sc2CCCCc2c1C(=O)NC[C@@H]1CCCO1
Cc1ccc(NC(=O)NCCC[NH+]2CCCCC2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NCCC[NH+]1CCCCC1
Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2n1 c1cc2OCOc2cc1[*:1] Cc1ccc2c(=O)c(cn(CC(=O)N[*:1])c2n1)C(=O)c1ccc(Cl)cc1
Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2n1 O=C(c1ccc(Cl)cc1)[*:1] Cc1ccc2c(=O)c(cn(CC(=O)Nc3ccc4OCOc4c3)c2n1)[*:1]
Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2n1 Clc1ccc(cc1)[*:1] Cc1ccc2c(=O)c(cn(CC(=O)Nc3ccc4OCOc4c3)c2n1)C(=O)[*:1]
CCCOC[C@@H]1CCC[C@H]1[NH2+]C CCC[*:1] C[NH2+][C@@H]1CCC[C@H]1CO[*:1]
CCCOC[C@@H]1CCC[C@H]1[NH2+]C CCCO[*:1] C[NH2+][C@@H]1CCC[C@H]1C[*:1]
CCC[NH2+][C@H]1CCN(c2ccsc2)[C@H](C)[C@@H]1C CCC[*:1] C[C@@H]1[C@H](CCN(c2ccsc2)[C@@H]1C)[NH2+][*:1]
CCC[NH2+][C@H]1CCN(c2ccsc2)[C@H](C)[C@@H]1C c1cc(cs1)[*:1] CCC[NH2+][C@H]1CCN([C@H](C)[C@@H]1C)[*:1]
CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2C)nc2ccccc21 Cc1ccc(c(C)c1)[*:1] CCn1c(nc2ccccc21)S[C@H](C)C(=O)N[*:1]
Cc1ccccc1C(C)(C)CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C Cc1ccccc1[*:1] C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)[*:1])c1ccco1
Cc1ccccc1C(C)(C)CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C c1coc(c1)[*:1] Cc1ccccc1C(C)(C)CNC(=O)NC[C@@H]([NH+](C)C)[*:1]
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(Cl)n1C COC(=O)[*:1] Cn1c(cc(Cl)c1Cl)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CCS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2F)cc1 CCS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(F)cc1F
COc1ccccc1NC1CC[NH+](Cc2csc(NC(C)=O)n2)CC1 COc1ccccc1[*:1] CC(=O)Nc1nc(cs1)C[NH+]1CCC(CC1)N[*:1]
COc1ccccc1NC1CC[NH+](Cc2csc(NC(C)=O)n2)CC1 CC(=O)N[*:1] COc1ccccc1NC1CC[NH+](CC1)Cc1csc(n1)[*:1]
O=S(=O)(NCc1ccc(F)cc1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=S(=O)(NCc1ccc(F)cc1)c1ccc(cc1)[*:1]
O=S(=O)(NCc1ccc(F)cc1)c1ccc(-n2cccn2)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(NC[*:1])c1ccc(cc1)-n1cccn1
COc1ccc(F)c(NC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(F)c(c1)NC(=O)N[C@H]1CCC[C@@H]1[*:1]
CCOc1ccccc1-c1nnc(SCC2(CO)COC2)o1 CCO[*:1] OCC1(COC1)CSc1nnc(o1)-c1ccccc1[*:1]
CCOc1ccccc1-c1nnc(SCC2(CO)COC2)o1 OCC1(COC1)[*:1] CCOc1ccccc1-c1nnc(o1)SC[*:1]
CCOc1ccccc1-c1nnc(SCC2(CO)COC2)o1 OCC1(COC1)C[*:1] CCOc1ccccc1-c1nnc(o1)S[*:1]
COc1ccc(CN2C[C@H](C(=O)N(C)CC3CC3)CC2=O)cc1 C1CC1[*:1] COc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)N(C)C[*:1]
COc1ccc(CN2C[C@H](C(=O)N(C)CC3CC3)CC2=O)cc1 C1CC1C[*:1] COc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)N(C)[*:1]
O=C(NC1CC1)c1nc(-c2ccncc2)no1 C1CC1[*:1] O=C(N[*:1])c1nc(no1)-c1ccncc1
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)Nc1cnn(c1)C[C@H]1CCCO1)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1cc(C)c(c(C)c1C(=O)Nc1cnn(c1)C[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1cc(C)c(c(C)c1C(=O)Nc1cnn(c1)[*:1])[N+](=O)[O-]
COc1cc(Br)c(N)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1cc(Br)c(N)c(c1)[*:1]
Cc1ccc([C@@H](C)N[C@H](C)Cc2cc(C)n[nH]2)cc1 Cc1cc([nH]n1)[*:1] Cc1ccc(cc1)[C@@H](C)N[C@H](C)C[*:1]
C[C@H](C(=O)NCCN1CCOCC1)n1c(=O)c(C(F)(F)F)nc2ccccc21 C1CN(CCO1)[*:1] C[C@H](C(=O)NCC[*:1])n1c(=O)c(nc2ccccc21)C(F)(F)F
C[C@H](C(=O)NCCN1CCOCC1)n1c(=O)c(C(F)(F)F)nc2ccccc21 C1CN(CCO1)C[*:1] C[C@H](C(=O)NC[*:1])n1c(=O)c(nc2ccccc21)C(F)(F)F
C[C@H](C(=O)NCCN1CCOCC1)n1c(=O)c(C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] C[C@H](C(=O)NCCN1CCOCC1)n1c(=O)c(nc2ccccc21)[*:1]
C[C@H](C(=O)NCCN1CCOCC1)n1c(=O)c(C(F)(F)F)nc2ccccc21 C1CN(CCO1)CC[*:1] C[C@H](C(=O)N[*:1])n1c(=O)c(nc2ccccc21)C(F)(F)F
CC[NH2+]C[C@H](Cc1nc(C)cs1)c1ccccc1F Cc1csc(n1)[*:1] CC[NH2+]C[C@H](C[*:1])c1ccccc1F
CC[C@H](NC(=O)[C@@H]1C[C@@]12CCc1ccccc12)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)[C@@H]1C[C@@]12CCc1ccccc12)[*:1]
COc1ccc(Cl)cc1CN(C)C(=O)NCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] COc1ccc(Cl)cc1CN(C)C(=O)NC[*:1]
CCn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2ccc(CO)o2)cn1 CCn1cc(cn1)[*:1] OCc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2[*:1])o1
CCn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2ccc(CO)o2)cn1 OCc1ccc(o1)[*:1] CCn1cc(cn1)[C@H]1OCC[C@@H]1C[NH2+]C[*:1]
CCc1noc(C)c1NC(=O)C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CCc1noc(C)c1NC(=O)C(=O)NCc1ccnc(c1)O[*:1]
CCc1noc(C)c1NC(=O)C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CCc1noc(C)c1NC(=O)C(=O)NCc1ccnc(c1)[*:1]
CCc1noc(C)c1NC(=O)C(=O)NCc1ccnc(OC(C)(C)C)c1 CCc1noc(C)c1[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)C(=O)N[*:1]
C[C@@H](Nc1ccc(C(=O)N(C)C)nn1)c1ccccc1Cl CN(C)C(=O)[*:1] C[C@@H](Nc1ccc(nn1)[*:1])c1ccccc1Cl
C[C@@H](Nc1ccc(C(=O)N(C)C)nn1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](Nc1ccc(nn1)C(=O)N(C)C)[*:1]
O=C(CCCO)N[C@@H]1CCc2ccccc2C1 OCCC[*:1] O=C(N[C@@H]1CCc2ccccc2C1)[*:1]
O=C(CCCO)N[C@@H]1CCc2ccccc2C1 OCC[*:1] O=C(C[*:1])N[C@@H]1CCc2ccccc2C1
Cc1cccnc1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O Cc1cccnc1[*:1] O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N[*:1]
CC[NH2+][C@H](Cc1ccn(C(C)C)n1)c1cc(F)cc(Br)c1 CC(C)[*:1] CC[NH2+][C@H](Cc1ccn(n1)[*:1])c1cc(F)cc(Br)c1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccs1 c1csc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccs1 O=C(N[*:1])c1cccs1 Cc1ccc(cc1[*:1])S(=O)(=O)N1CCOCC1
CC[C@@H](C(=O)NCCn1c(C)cc(C)nc1=O)n1cccn1 c1cnn(c1)[*:1] CC[C@@H](C(=O)NCCn1c(C)cc(C)nc1=O)[*:1]
NC(=O)c1ccc(NCCc2c[nH]c3ccc(F)cc23)nn1 NC(=O)[*:1] Fc1ccc2[nH]cc(CCNc3ccc(nn3)[*:1])c2c1
Cn1c(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)N1CCN(CC1)c1cccc[nH+]1
CCC[NH2+]CCC[C@H]1CCOC2(CCCC2)C1 CCC[*:1] C(C[NH2+][*:1])C[C@H]1CCOC2(CCCC2)C1
C=CCN(CC=C)C(=O)c1cc(Br)ccc1Br C=CC[*:1] C=CCN(C(=O)c1cc(Br)ccc1Br)[*:1]
Cc1cccc(C)c1OCC(=O)N(C)c1cccc2ncccc12 Cc1cccc(C)c1[*:1] CN(C(=O)CO[*:1])c1cccc2ncccc12
C[C@H](NC(=O)Cc1ccccc1O)c1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cc1ccccc1O)c1cccc(c1)NC(=O)[*:1]
C[C@H](NC(=O)Cc1ccccc1O)c1cccc(NC(=O)c2ccccc2)c1 Oc1ccccc1[*:1] C[C@H](NC(=O)C[*:1])c1cccc(c1)NC(=O)c1ccccc1
C[C@H](NC(=O)Cc1ccccc1O)c1cccc(NC(=O)c2ccccc2)c1 O=C(N[*:1])c1ccccc1 C[C@H](NC(=O)Cc1ccccc1O)c1cccc(c1)[*:1]
C[C@H](NC(=O)Cc1ccccc1O)c1cccc(NC(=O)c2ccccc2)c1 Oc1ccccc1C[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)NC(=O)c1ccccc1
CS(=O)(=O)c1ccccc1NC(=O)NCCc1c(F)cccc1F CS(=O)(=O)[*:1] O=C(NCCc1c(F)cccc1F)Nc1ccccc1[*:1]
CS(=O)(=O)c1ccccc1NC(=O)NCCc1c(F)cccc1F Fc1cccc(F)c1[*:1] CS(=O)(=O)c1ccccc1NC(=O)NCC[*:1]
O=C(CSc1ccc(F)cc1)Nc1cccc(-c2cn3ccsc3n2)c1 Fc1ccc(cc1)S[*:1] O=C(C[*:1])Nc1cccc(c1)-c1cn2ccsc2n1
O=C(CSc1ccc(F)cc1)Nc1cccc(-c2cn3ccsc3n2)c1 Fc1ccc(cc1)[*:1] O=C(CS[*:1])Nc1cccc(c1)-c1cn2ccsc2n1
O=C(CSc1ccc(F)cc1)Nc1cccc(-c2cn3ccsc3n2)c1 c1cn2cc(nc2s1)[*:1] O=C(CSc1ccc(F)cc1)Nc1cccc(c1)[*:1]
COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2CCCn2cc[nH+]c2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1c2c(n[nH]c2[*:1])C(=O)N1CCCn1cc[nH+]c1
COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2CCCn2cc[nH+]c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1[nH]nc2C(=O)N(CCCn3cc[nH+]c3)[C@@H](c21)[*:1]
CCSc1ccc(Cc2nnc(NC(=O)c3ccccc3OC)o2)cc1 CCS[*:1] COc1ccccc1C(=O)Nc1nnc(Cc2ccc(cc2)[*:1])o1
CCSc1ccc(Cc2nnc(NC(=O)c3ccccc3OC)o2)cc1 COc1ccccc1[*:1] CCSc1ccc(cc1)Cc1nnc(NC(=O)[*:1])o1
Cc1ccc2c(c1C)[C@@H]([NH2+]Cc1ccc(C(N)=O)o1)CCO2 NC(=O)[*:1] Cc1ccc2OCC[C@H]([NH2+]Cc3ccc(o3)[*:1])c2c1C
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1)-c1cnc2ncnn2c1N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)cc1F)N1CCN(CC1)c1c(cnc2ncnn12)[*:1]
CC(C)([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)C(N)=O NC(=O)[*:1] CC(C)([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)[*:1]
CC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H]([NH2+]Cc1cc(Cl)c2OCCOc2c1)[*:1]
Fc1cc(Cl)cnc1NC[C@@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] Fc1cc(Cl)cnc1NC[C@@H]([NH+]1CCCC1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc2OCOc2c1)c1nn(cc1[*:1])C12CC3CC(CC(C3)C1)C2
O=C(Nc1ccc2c(c1)OCO2)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] c1cc2OCOc2cc1[*:1] O=C(N[*:1])c1nn(cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2
C=CCNC(=O)CN1CCN(c2nc(C)nc3sc4c(c23)CCCC4)CC1 C=CC[*:1] Cc1nc(c2c3CCCCc3sc2n1)N1CCN(CC1)CC(=O)N[*:1]
C=CCNC(=O)CN1CCN(c2nc(C)nc3sc4c(c23)CCCC4)CC1 C=CCNC(=O)C[*:1] Cc1nc(c2c3CCCCc3sc2n1)N1CCN(CC1)[*:1]
C=CCNC(=O)CN1CCN(c2nc(C)nc3sc4c(c23)CCCC4)CC1 C=CCNC(=O)[*:1] Cc1nc(c2c3CCCCc3sc2n1)N1CCN(CC1)C[*:1]
COC(=O)[C@H](NC(=O)OCc1ccccc1)OC c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)OC[*:1])OC
COC(=O)[C@H](NC(=O)OCc1ccccc1)OC COC(=O)[*:1] CO[C@@H](NC(=O)OCc1ccccc1)[*:1]
O=C(CCCn1ccnn1)NCc1nc(-c2cccc(Cl)c2)no1 c1cn(C[*:1])nn1 O=C(CC[*:1])NCc1nc(no1)-c1cccc(Cl)c1
O=C(CCCn1ccnn1)NCc1nc(-c2cccc(Cl)c2)no1 c1cn(CC[*:1])nn1 O=C(C[*:1])NCc1nc(no1)-c1cccc(Cl)c1
O=C(CCCn1ccnn1)NCc1nc(-c2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] O=C(CCCn1ccnn1)NCc1nc(no1)[*:1]
O=C(CCCn1ccnn1)NCc1nc(-c2cccc(Cl)c2)no1 c1cn(CCC[*:1])nn1 O=C(NCc1nc(no1)-c1cccc(Cl)c1)[*:1]
O=C(CCCn1ccnn1)NCc1nc(-c2cccc(Cl)c2)no1 c1cn(nn1)[*:1] O=C(CCC[*:1])NCc1nc(no1)-c1cccc(Cl)c1
O=C(N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)[C@H]1CC(=O)N(CC2CC2)C1 O=C([O-])[*:1] O=C(N[C@@H](c1ccccc1C(F)(F)F)[*:1])[C@H]1CC(=O)N(CC2CC2)C1
O=C(N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)[C@H]1CC(=O)N(CC2CC2)C1 FC(F)(F)[*:1] O=C(N[C@@H](C(=O)[O-])c1ccccc1[*:1])[C@H]1CC(=O)N(CC2CC2)C1
O=C(N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] O=C(N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)[C@H]1CC(=O)N(C1)[*:1]
O=C(N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] O=C(N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)[C@H]1CC(=O)N(C1)C[*:1]
NC(=O)COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1 NC(=O)C[*:1] OC1C[C@H](c2ccc(cc2)O[*:1])c2ncn(-c3ccccc3F)c2N=1
NC(=O)COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1 NC(=O)[*:1] OC1C[C@H](c2ccc(cc2)OC[*:1])c2ncn(-c3ccccc3F)c2N=1
NC(=O)COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1 Fc1ccccc1[*:1] NC(=O)COc1ccc(cc1)[C@H]1CC(O)=Nc2c1ncn2[*:1]
NC(=O)COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1 NC(=O)CO[*:1] OC1C[C@H](c2ccc(cc2)[*:1])c2ncn(-c3ccccc3F)c2N=1
COCC[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 COC[*:1] C[C@H](C[*:1])C(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
COCC[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 COCC[*:1] C[C@@H](C(=O)Nc1ccc(cc1)-c1nc2ccccc2o1)[*:1]
Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Sc1cccc2cccnc12 c1cnc2c(cccc2c1)S[*:1] Nc1c(ncnc1[*:1])NNC(=O)C(c1ccccc1)c1ccccc1
Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Sc1cccc2cccnc12 c1cnc2c(cccc2c1)[*:1] Nc1c(ncnc1S[*:1])NNC(=O)C(c1ccccc1)c1ccccc1
Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Sc1cccc2cccnc12 c1ccc(cc1)[*:1] Nc1c(ncnc1Sc1cccc2cccnc12)NNC(=O)C(c1ccccc1)[*:1]
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\CCCC[C@@H]2C)c1 CCN(CC)S(=O)(=O)[*:1] C[C@H]1CCCC/C1=N\NC(=O)c1cccc(c1)[*:1]
Cc1cc(Oc2ncnc(NC(C)C)c2[N+](=O)[O-])cc(C)c1Cl O=[N+]([O-])[*:1] Cc1cc(cc(C)c1Cl)Oc1ncnc(NC(C)C)c1[*:1]
Cc1cc(Oc2ncnc(NC(C)C)c2[N+](=O)[O-])cc(C)c1Cl CC(C)N[*:1] Cc1cc(cc(C)c1Cl)Oc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1cc(Oc2ncnc(NC(C)C)c2[N+](=O)[O-])cc(C)c1Cl CC(C)[*:1] Cc1cc(cc(C)c1Cl)Oc1ncnc(N[*:1])c1[N+](=O)[O-]
COC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1cn(C)nc1C Cc1nn(C)cc1[*:1] COC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)[*:1]
Cc1cccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc23)c1C Fc1ccc(cc1)[*:1] Cc1cccc(NC(=O)CSc2ncnc3c(nsc23)[*:1])c1C
Cc1cccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc23)c1C Cc1cccc(c1C)[*:1] O=C(CSc1ncnc2c(nsc12)-c1ccc(F)cc1)N[*:1]
Cc1cc(C(=O)OCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)[nH]n1 Cc1cc([nH]n1)C(=O)O[*:1] CC(C)(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)C[*:1]
Cc1cc(C(=O)OCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)[nH]n1 CC(C)(C)[*:1] Cc1cc([nH]n1)C(=O)OCC(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
Cc1cc(C(=O)OCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)[nH]n1 Cc1cc([nH]n1)[*:1] CC(C)(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)COC(=O)[*:1]
COc1ccc(C[NH2+]C[C@@H](C(C)C)N(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)C[NH2+]C[C@@H](N(C)C)[*:1]
COc1ccc(C[NH2+]C[C@@H](C(C)C)N(C)C)cc1F CN(C)[*:1] COc1ccc(cc1F)C[NH2+]C[C@@H](C(C)C)[*:1]
CC(=O)c1cccc(NC(=O)c2cccc(-n3cnnc3)n2)c1 c1nncn1[*:1] CC(=O)c1cccc(c1)NC(=O)c1cccc(n1)[*:1]
CC(=O)c1cccc(NC(=O)c2cccc(-n3cnnc3)n2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(n1)-n1cnnc1
Cc1csc(Sc2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc2)n1 Cc1csc(n1)S[*:1] O=C1C[C@@H](C(=O)Nc2ccc(cc2)[*:1])c2ccccc2N1
Cc1csc(Sc2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc2)n1 Cc1csc(n1)[*:1] O=C1C[C@@H](C(=O)Nc2ccc(cc2)S[*:1])c2ccccc2N1
Cc1cnn(Cc2cc(C(=O)N3c4ccccc4CC[C@@H]3C(C)C)no2)c1 CC(C)[*:1] Cc1cnn(c1)Cc1cc(no1)C(=O)N1c2ccccc2CC[C@H]1[*:1]
Cc1cnn(Cc2cc(C(=O)N3c4ccccc4CC[C@@H]3C(C)C)no2)c1 Cc1cnn(c1)C[*:1] CC(C)[C@H]1CCc2ccccc2N1C(=O)c1cc(on1)[*:1]
Cc1cnn(Cc2cc(C(=O)N3c4ccccc4CC[C@@H]3C(C)C)no2)c1 Cc1cnn(c1)[*:1] CC(C)[C@H]1CCc2ccccc2N1C(=O)c1cc(C[*:1])on1
COc1ccccc1CNC[C@@H](c1ccc(C)o1)N1CCOCC1 Cc1ccc(o1)[*:1] COc1ccccc1CNC[C@@H](N1CCOCC1)[*:1]
COc1ccccc1CNC[C@@H](c1ccc(C)o1)N1CCOCC1 C1CN(CCO1)[*:1] COc1ccccc1CNC[C@@H](c1ccc(C)o1)[*:1]
COc1ccccc1CNC[C@@H](c1ccc(C)o1)N1CCOCC1 COc1ccccc1[*:1] Cc1ccc(o1)[C@H](CNC[*:1])N1CCOCC1
CCCc1nc2sc3c(SCC(=O)Nc4ccccn4)ncnc3c2c2c1CCCC2 c1ccc(nc1)[*:1] CCCc1nc2sc3c(ncnc3c2c2CCCCc12)SCC(=O)N[*:1]
CCCc1nc2sc3c(SCC(=O)Nc4ccccn4)ncnc3c2c2c1CCCC2 O=C(C[*:1])Nc1ccccn1 CCCc1nc2sc3c(ncnc3c2c2CCCCc12)S[*:1]
CCCc1nc2sc3c(SCC(=O)Nc4ccccn4)ncnc3c2c2c1CCCC2 O=C(Nc1ccccn1)[*:1] CCCc1nc2sc3c(ncnc3c2c2CCCCc12)SC[*:1]
CCCc1nc2sc3c(SCC(=O)Nc4ccccn4)ncnc3c2c2c1CCCC2 CCC[*:1] O=C(CSc1ncnc2c1sc1nc(c3CCCCc3c12)[*:1])Nc1ccccn1
CC[C@H](C)NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O Fc1ccccc1C[*:1] CC[C@H](C)NC(=O)Cn1ncc2c3ccccc3n(c2c1=O)[*:1]
CC[C@H](C)NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O Fc1ccccc1[*:1] CC[C@H](C)NC(=O)Cn1ncc2c3ccccc3n(C[*:1])c2c1=O
Cc1nn(C)c2ncc(NC(=O)NCCSC3CCCC3)cc12 C1CCC(C1)SC[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)NC[*:1]
Cc1nn(C)c2ncc(NC(=O)NCCSC3CCCC3)cc12 C1CCC(C1)S[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)NCC[*:1]
Cc1nn(C)c2ncc(NC(=O)NCCSC3CCCC3)cc12 C1CCC(C1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)NCCS[*:1]
Cc1cc2nc(SCC(=O)[O-])n(CC(C)C)c(=O)c2[nH]1 O=C([O-])[*:1] Cc1cc2nc(SC[*:1])n(CC(C)C)c(=O)c2[nH]1
Cc1cc2nc(SCC(=O)[O-])n(CC(C)C)c(=O)c2[nH]1 CC(C)[*:1] Cc1cc2nc(SCC(=O)[O-])n(C[*:1])c(=O)c2[nH]1
Cc1cc2nc(SCC(=O)[O-])n(CC(C)C)c(=O)c2[nH]1 O=C([O-])C[*:1] Cc1cc2nc(S[*:1])n(CC(C)C)c(=O)c2[nH]1
Cc1cc2nc(SCC(=O)[O-])n(CC(C)C)c(=O)c2[nH]1 O=C([O-])CS[*:1] Cc1cc2nc(n(CC(C)C)c(=O)c2[nH]1)[*:1]
Cc1cc2nc(SCC(=O)[O-])n(CC(C)C)c(=O)c2[nH]1 CC(C)C[*:1] Cc1cc2nc(SCC(=O)[O-])n(c(=O)c2[nH]1)[*:1]
C[C@@H]1CN(C(=O)Cc2ccon2)c2cc(F)ccc2C(=O)N1 c1cc(no1)[*:1] C[C@@H]1CN(C(=O)C[*:1])c2cc(F)ccc2C(=O)N1
C[C@@H]1CN(C(=O)Cc2ccon2)c2cc(F)ccc2C(=O)N1 c1cc(C[*:1])no1 C[C@@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
CC(C)[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1cn(-c2cncnc2)cn1 CC(C)(C)C[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1cn(cn1)-c1cncnc1
CC(C)[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1cn(-c2cncnc2)cn1 c1ncc(cn1)[*:1] CC(C)[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1cn(cn1)[*:1]
CC(C)[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1cn(-c2cncnc2)cn1 CC(C)(C)CC(=O)N[*:1] CC(C)[C@H](C(=O)Nc1cn(cn1)-c1cncnc1)[*:1]
CC(C)[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1cn(-c2cncnc2)cn1 CC(C)[*:1] CC(C)(C)CC(=O)N[C@H](C(=O)Nc1cn(cn1)-c1cncnc1)[*:1]
CC(C)[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1cn(-c2cncnc2)cn1 CC(C)(C)[*:1] CC(C)[C@H](NC(=O)C[*:1])C(=O)Nc1cn(cn1)-c1cncnc1
Cc1ccc([C@@H](C)NC(=O)CNS(=O)(=O)c2cnn(C)c2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)CNS(=O)(=O)c2cnn(C)c2)o1 Cn1cc(cn1)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)CNS(=O)(=O)[*:1]
Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 c1cc([nH]n1)[*:1] Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H](C1)[*:1]
COc1ccccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O COc1ccccc1[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)c2ccccc2S1(=O)=O
C[C@]1(c2ccccc2F)C[NH+]=C(N)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@]1(C[NH+]=C(N)N1C[*:1])c1ccccc1F
C[C@]1(c2ccccc2F)C[NH+]=C(N)N1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C[C@@]1(C[NH+]=C(N)N1[*:1])c1ccccc1F
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2cc(Cl)ccc2O)n1C c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)CSc1nnc(-c2cc(Cl)ccc2O)n1C
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2cc(Cl)ccc2O)n1C Oc1ccc(Cl)cc1[*:1] Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nnc(n1C)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2cc(Cl)ccc2O)n1C c1ccc(cc1)C[*:1] Cc1nn(c(C)c1NC(=O)CSc1nnc(-c2cc(Cl)ccc2O)n1C)[*:1]
CC(C)c1ncc(Cl)c(C(=O)Nc2cn(C)nc2-c2ccccc2)n1 CC(C)[*:1] Cn1cc(NC(=O)c2nc(ncc2Cl)[*:1])c(n1)-c1ccccc1
CC(C)c1ncc(Cl)c(C(=O)Nc2cn(C)nc2-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)c1ncc(Cl)c(n1)C(=O)Nc1cn(C)nc1[*:1]
CC[C@H]1CCCN(C(=O)/C=C/c2ccc(NC(C)=O)cc2)C1 CC(=O)N[*:1] CC[C@H]1CCCN(C1)C(=O)/C=C/c1ccc(cc1)[*:1]
O=C(NCCc1cn2ccccc2n1)c1cnn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=C(NCCc1cn2ccccc2n1)c1cnn(n1)[*:1]
CN(C(=O)COc1cccc(C(=O)NC2CC2)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)COc1cccc(c1)C(=O)NC1CC1)[*:1]
CN(C(=O)COc1cccc(C(=O)NC2CC2)c1)c1ccccc1 O=C(NC1CC1)[*:1] CN(C(=O)COc1cccc(c1)[*:1])c1ccccc1
CN(C(=O)COc1cccc(C(=O)NC2CC2)c1)c1ccccc1 C1CC1[*:1] CN(C(=O)COc1cccc(c1)C(=O)N[*:1])c1ccccc1
COc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1OC Cc1ccc(cc1C)[*:1] COc1ccc(cc1OC)CNC(=O)c1nnn(c1C)[*:1]
O=C(c1ccoc1)N1CCC(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)CC1 c1cc(co1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCCc2cc(ccc21)C(F)(F)F
O=C(c1ccoc1)N1CCC(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)CC1 FC(F)(F)[*:1] O=C(c1ccoc1)N1CCC(CC1)C(=O)N1CCCc2cc(ccc21)[*:1]
C=CCSc1nc2ccccc2n1CC(=O)NC(N)=O C=CC[*:1] NC(=O)NC(=O)Cn1c(nc2ccccc21)S[*:1]
C=CCSc1nc2ccccc2n1CC(=O)NC(N)=O NC(=O)NC(=O)[*:1] C=CCSc1nc2ccccc2n1C[*:1]
C=CCSc1nc2ccccc2n1CC(=O)NC(N)=O C=CCS[*:1] NC(=O)NC(=O)Cn1c(nc2ccccc21)[*:1]
CSC[C@H](CCO)[NH2+][C@H]1CCCc2ccc(Br)cc21 CSC[*:1] OCC[C@H]([NH2+][C@H]1CCCc2ccc(Br)cc21)[*:1]
CSC[C@H](CCO)[NH2+][C@H]1CCCc2ccc(Br)cc21 OCC[*:1] CSC[C@H]([NH2+][C@H]1CCCc2ccc(Br)cc21)[*:1]
C[NH2+][C@@H](c1cccc(OC)c1)C(OC)OC COC(OC)[*:1] C[NH2+][C@@H](c1cccc(c1)OC)[*:1]
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(Br)c1)n2CCOC CCC[*:1] COCCn1c(nc2c1c(=O)[nH]c(=O)n2[*:1])-c1ccc(OC)c(Br)c1
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(Br)c1)n2CCOC COCC[*:1] CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(Br)c1)n2[*:1]
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(Br)c1)n2CCOC COC[*:1] CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(Br)c1)n2C[*:1]
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(Br)c1)n2CCOC COc1ccc(cc1Br)[*:1] CCCn1c(=O)[nH]c(=O)c2c1nc(n2CCOC)[*:1]
CCc1n[nH]c(=S)n1CCNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C CCc1n[nH]c(=S)n1[*:1] Cc1cc(C(=O)NCC[*:1])c2c(=O)[nH]n(C)c2n1
Cc1ccccc1-c1csc(NC(=O)[C@H]2CCS(=O)(=O)C2)n1 Cc1ccccc1[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1CCS(=O)(=O)C1
CCOc1ccccc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)[*:1]
CCOc1ccccc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccccc1 CC1CCN(CC1)C(=O)[*:1] CCOc1ccccc1N(C[*:1])S(=O)(=O)c1ccccc1
CCOc1ccccc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccccc1 CCO[*:1] CC1CCN(CC1)C(=O)CN(c1ccccc1[*:1])S(=O)(=O)c1ccccc1
CCOc1ccccc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccccc1 CCOc1ccccc1[*:1] CC1CCN(CC1)C(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cc(cc(c1)[*:1])[N+](=O)[O-]
O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 C1CN(CCO1)[*:1] O=C(N[C@@H](C(Cl)(Cl)Cl)[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ClC(Cl)(Cl)[*:1] O=C(N[C@@H](N1CCOCC1)[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
O=C(Nc1ccc(F)cc1OCC(F)F)c1cc[nH]c(=O)c1 FC(F)[*:1] O=C(Nc1ccc(F)cc1OC[*:1])c1cc[nH]c(=O)c1
O=C(Nc1ccc(F)cc1OCC(F)F)c1cc[nH]c(=O)c1 FC(F)C[*:1] O=C(Nc1ccc(F)cc1O[*:1])c1cc[nH]c(=O)c1
O=C(Nc1ccc(F)cc1OCC(F)F)c1cc[nH]c(=O)c1 O=c1cc(cc[nH]1)[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)[*:1]
O=C(Nc1ccc(F)cc1OCC(F)F)c1cc[nH]c(=O)c1 FC(F)CO[*:1] O=C(Nc1ccc(F)cc1[*:1])c1cc[nH]c(=O)c1
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)N[*:1]
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)NCc1ccccc1Cl
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)NC[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)CCn1nnc2ccccc2c1=O CC(C)C[*:1] CNC(=O)[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)CCn1nnc2ccccc2c1=O CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NC(=O)CCn1nnc2ccccc2c1=O
CNC(=O)[C@@H](CC(C)C)NC(=O)CCn1nnc2ccccc2c1=O CNC(=O)[*:1] CC(C)C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)[*:1]
C[C@@H]1CC[C@](O)(Cc2nc(-c3ccccc3)cs2)C1 c1ccc(cc1)[*:1] C[C@@H]1CC[C@](O)(Cc2nc(cs2)[*:1])C1
Cc1cc(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)ccc1F CN(C)C(=O)[*:1] Cc1cc(ccc1F)C(=O)Nc1cc(ccc1C)[*:1]
CCn1cnnc1C1CCN(C(=O)c2sccc2OC)CC1 COc1ccsc1[*:1] CCn1cnnc1C1CCN(CC1)C(=O)[*:1]
CCn1cnnc1C1CCN(C(=O)c2sccc2OC)CC1 CCn1cnnc1[*:1] COc1ccsc1C(=O)N1CCC(CC1)[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 CC(C)(C)O[*:1] CCOC[C@@H]1CCN(C1)C(=O)Nc1ccc(cc1)C[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 CC(C)(C)[*:1] CCOC[C@@H]1CCN(C1)C(=O)Nc1ccc(cc1)CO[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 CCOC[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 CCO[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 CC(C)(C)OC[*:1] CCOC[C@@H]1CCN(C1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(-n2[nH]c(C(=O)N(Cc3ccccc3)C3CC3)cc2=O)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc(=O)n([nH]1)[*:1])N(Cc1ccccc1)C1CC1
Cc1ccc(-n2[nH]c(C(=O)N(Cc3ccccc3)C3CC3)cc2=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N(C1CC1)[*:1]
Cc1ccc(-n2[nH]c(C(=O)N(Cc3ccccc3)C3CC3)cc2=O)cc1 C1CC1[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N(Cc1ccccc1)[*:1]
Cc1ccc(-n2[nH]c(C(=O)N(Cc3ccccc3)C3CC3)cc2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N(C[*:1])C1CC1
O=C1C[C@@H](NC2=NS(=O)(=O)c3ccccc32)CN1CC(F)(F)F FC(F)(F)C[*:1] O=C1C[C@H](CN1[*:1])NC1=NS(=O)(=O)c2ccccc21
O=C1C[C@@H](NC2=NS(=O)(=O)c3ccccc32)CN1CC(F)(F)F FC(F)(F)[*:1] O=C1C[C@H](CN1C[*:1])NC1=NS(=O)(=O)c2ccccc21
O=C(c1ccc(=O)n(-c2ccccc2)n1)N1C[C@H]2CCC[C@@H]2C1 c1ccc(cc1)[*:1] O=C(c1ccc(=O)n(n1)[*:1])N1C[C@H]2CCC[C@@H]2C1
CCc1ccc(C2=NN(C(=O)COc3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 c1ccc(cc1)OC[*:1] CCc1ccc(cc1)C1C[C@](O)(N(N=1)C(=O)[*:1])C(F)(F)F
CCc1ccc(C2=NN(C(=O)COc3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)C1C[C@@](O)(N(N=1)C(=O)COc1ccccc1)[*:1]
CCc1ccc(C2=NN(C(=O)COc3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 c1ccc(cc1)O[*:1] CCc1ccc(cc1)C1C[C@](O)(N(N=1)C(=O)C[*:1])C(F)(F)F
CCc1ccc(C2=NN(C(=O)COc3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)C1C[C@](O)(N(N=1)C(=O)CO[*:1])C(F)(F)F
CCc1ccc(C2=NN(C(=O)COc3ccccc3)[C@](O)(C(F)(F)F)C2)cc1 CCc1ccc(cc1)[*:1] O=C(COc1ccccc1)N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
CCC[C@H](NC(=O)c1sccc1C#N)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1sccc1C#N)[*:1]
CCC[C@H](NC(=O)c1sccc1C#N)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1sccc1C#N)[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCC(=O)c1cccs1 c1csc(c1)[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCC(=O)[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCC(=O)c1cccs1 O=C(C[*:1])c1cccs1 CC[C@H]1CN(C)c2ccccc2CN1C(=O)C[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCC(=O)c1cccs1 O=C(c1cccs1)[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)CC[*:1]
COc1ccccc1NC(=O)Nc1nnc([C@@H](C)c2ccccc2)s1 COc1ccccc1[*:1] C[C@@H](c1ccccc1)c1nnc(NC(=O)N[*:1])s1
COc1ccccc1NC(=O)Nc1nnc([C@@H](C)c2ccccc2)s1 C[C@@H](c1ccccc1)[*:1] COc1ccccc1NC(=O)Nc1nnc(s1)[*:1]
COc1ccccc1NC(=O)Nc1nnc([C@@H](C)c2ccccc2)s1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)Nc1nnc(s1)[C@@H](C)[*:1]
O=C(Nc1ccccn1)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 Clc1cccc(c1)[*:1] O=C(Nc1ccccn1)c1cc(=O)c(c[nH]1)OC[*:1]
O=C(Nc1ccccn1)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 c1ccc(nc1)[*:1] O=C(N[*:1])c1cc(=O)c(c[nH]1)OCc1cccc(Cl)c1
O=C(Nc1ccccn1)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 Clc1cccc(c1)C[*:1] O=C(Nc1ccccn1)c1cc(=O)c(c[nH]1)O[*:1]
Cc1cc(N2CCN(C)CC2)[nH+]c2ccc(NC(=S)NCc3ccco3)cc12 c1coc(c1)C[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=S)N[*:1])N1CCN(C)CC1
Cc1cc(N2CCN(C)CC2)[nH+]c2ccc(NC(=S)NCc3ccco3)cc12 CN1CCN(CC1)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=S)NCc1ccco1)[*:1]
Cc1cc(N2CCN(C)CC2)[nH+]c2ccc(NC(=S)NCc3ccco3)cc12 c1coc(c1)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=S)NC[*:1])N1CCN(C)CC1
O=C(NCCN1CCN(c2ncccn2)CC1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(NCCN1CCN(CC1)c1ncccn1)N1CCOC[C@H]1[*:1]
O=C(NCCN1CCN(c2ncccn2)CC1)N1CCOC[C@@H]1C1CC1 c1cnc(nc1)[*:1] O=C(NCCN1CCN(CC1)[*:1])N1CCOC[C@@H]1C1CC1
Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)Nc1cccc(c1)[*:1]
Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1c[nH]nc1S(=O)(=O)[N-][*:1]
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)S(=O)(=O)N1CCCCCC1)N[*:1]
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)NC1CCCCCC1 O=S(=O)(N1CCCCCC1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)[*:1])NC1CCCCCC1
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)NC1CCCCCC1 O=C(NC1CCCCCC1)[*:1] O=C1COc2ccc(cc2N1C[*:1])S(=O)(=O)N1CCCCCC1
COc1ccc(CCl)cc1OCc1nccs1 c1csc(n1)[*:1] COc1ccc(cc1OC[*:1])CCl
O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NCC(F)(F)F FC(F)(F)[*:1] O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NC[*:1]
O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NCC(F)(F)F c1ccc(cc1)[*:1] O=C(CSc1ncc(n1C1CC1)[*:1])NCC(F)(F)F
O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CSc1ncc(-c2ccccc2)n1C1CC1)N[*:1]
O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] c1ccc(cc1)-c1cnc(SC[*:1])n1C1CC1
O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NCC(F)(F)F C1CC1[*:1] O=C(CSc1ncc(-c2ccccc2)n1[*:1])NCC(F)(F)F
CCOC(=O)CNC(=O)c1cccnc1Sc1ccc(C)cc1 CCOC(=O)C[*:1] Cc1ccc(cc1)Sc1ncccc1C(=O)N[*:1]
CCOC(=O)CNC(=O)c1cccnc1Sc1ccc(C)cc1 CCOC(=O)[*:1] Cc1ccc(cc1)Sc1ncccc1C(=O)NC[*:1]
CCOC(=O)CNC(=O)c1cccnc1Sc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCOC(=O)CNC(=O)c1cccnc1S[*:1]
CN1CCc2nc[nH]c2C12CC[NH+](Cc1cccc(OC3CCCC3)c1)CC2 C1CCC(C1)O[*:1] CN1CCc2nc[nH]c2C12CC[NH+](CC2)Cc1cccc(c1)[*:1]
CN1CCc2nc[nH]c2C12CC[NH+](Cc1cccc(OC3CCCC3)c1)CC2 C1CCC(C1)[*:1] CN1CCc2nc[nH]c2C12CC[NH+](CC2)Cc1cccc(c1)O[*:1]
COCCN(CCC#N)c1ncnc2sc(C)cc12 COCC[*:1] Cc1cc2c(ncnc2s1)N(CCC#N)[*:1]
COCCN(CCC#N)c1ncnc2sc(C)cc12 N#CCC[*:1] COCCN(c1ncnc2sc(C)cc12)[*:1]
COCCN(CCC#N)c1ncnc2sc(C)cc12 N#CC[*:1] COCCN(C[*:1])c1ncnc2sc(C)cc12
COCCN(CCC#N)c1ncnc2sc(C)cc12 COC[*:1] Cc1cc2c(ncnc2s1)N(CCC#N)C[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nncn2CC)c1 CC[C@H](C)[*:1] CCn1cnnc1-c1cccc(c1)NC(=O)C(=O)N[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nncn2CC)c1 CCn1cnnc1[*:1] CC[C@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
COCCN(c1cc([C@@H](C)O)cc[nH+]1)[C@@H](C)C1CC1 COC[*:1] C[C@@H](C1CC1)N(C[*:1])c1cc(cc[nH+]1)[C@@H](C)O
COCCN(c1cc([C@@H](C)O)cc[nH+]1)[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] COCCN(c1cc(cc[nH+]1)[C@@H](C)O)[*:1]
COCCN(c1cc([C@@H](C)O)cc[nH+]1)[C@@H](C)C1CC1 C[C@@H](O)[*:1] COCCN(c1cc(cc[nH+]1)[*:1])[C@@H](C)C1CC1
COCCN(c1cc([C@@H](C)O)cc[nH+]1)[C@@H](C)C1CC1 C1CC1[*:1] COCCN(c1cc(cc[nH+]1)[C@@H](C)O)[C@@H](C)[*:1]
COCCN(c1cc([C@@H](C)O)cc[nH+]1)[C@@H](C)C1CC1 COCC[*:1] C[C@@H](C1CC1)N(c1cc(cc[nH+]1)[C@@H](C)O)[*:1]
CNC(=O)Cn1cnc2ccc(N)cc2c1=O CNC(=O)[*:1] Nc1ccc2ncn(C[*:1])c(=O)c2c1
CNC(=O)Cn1cnc2ccc(N)cc2c1=O CNC(=O)C[*:1] Nc1ccc2ncn(c(=O)c2c1)[*:1]
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])cc1C Cc1ccc(cc1C)[*:1] N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)NC(=O)/C(C#N)=C/c1ccccc1[*:1]
CCCCN(C)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C CC(C)[*:1] CCCCN(C)C(=O)N[C@H](c1ccc2OCCOc2c1)[*:1]
CCCCN(C)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C CCCC[*:1] CC(C)[C@H](NC(=O)N(C)[*:1])c1ccc2OCCOc2c1
CCCCN(C)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C CCC[*:1] CC(C)[C@H](NC(=O)N(C)C[*:1])c1ccc2OCCOc2c1
CC/[NH+]=C(/NCC#Cc1ccccc1)NC[C@@H](C)C#N C[C@@H](C#N)[*:1] CC/[NH+]=C(/NCC#Cc1ccccc1)NC[*:1]
CC/[NH+]=C(/NCC#Cc1ccccc1)NC[C@@H](C)C#N C[C@@H](C#N)C[*:1] CC/[NH+]=C(/NCC#Cc1ccccc1)N[*:1]
CC/[NH+]=C(/NCC#Cc1ccccc1)NC[C@@H](C)C#N c1ccc(cc1)[*:1] CC/[NH+]=C(/NCC#C[*:1])NC[C@@H](C)C#N
CC(C)[C@H]1C(=O)NC(=O)C[C@@]12CCCS[C@H]2C CC(C)[*:1] C[C@@H]1SCCC[C@@]12CC(=O)NC(=O)[C@@H]2[*:1]
O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1[*:1]
O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(F)c(F)c1 c1ccc2c(c[nH]c2c1)[*:1] O=C1C[C@H]([NH2+]CC[*:1])C(=O)N1c1ccc(F)c(F)c1
CN(CCS(C)(=O)=O)Cc1ccccc1C(N)=[NH2+] CS(=O)(=O)C[*:1] CN(Cc1ccccc1C(N)=[NH2+])C[*:1]
CN(CCS(C)(=O)=O)Cc1ccccc1C(N)=[NH2+] CS(=O)(=O)[*:1] CN(CC[*:1])Cc1ccccc1C(N)=[NH2+]
CN(CCS(C)(=O)=O)Cc1ccccc1C(N)=[NH2+] NC(=[NH2+])[*:1] CN(CCS(C)(=O)=O)Cc1ccccc1[*:1]
CN(CCS(C)(=O)=O)Cc1ccccc1C(N)=[NH2+] CS(=O)(=O)CC[*:1] CN(Cc1ccccc1C(N)=[NH2+])[*:1]
CSCc1ccnc(NCc2cccc(NC(=O)c3ccco3)c2)c1 O=C(N[*:1])c1ccco1 CSCc1ccnc(c1)NCc1cccc(c1)[*:1]
CSCc1ccnc(NCc2cccc(NC(=O)c3ccco3)c2)c1 c1coc(c1)[*:1] CSCc1ccnc(c1)NCc1cccc(c1)NC(=O)[*:1]
CSCc1ccnc(NCc2cccc(NC(=O)c3ccco3)c2)c1 CSC[*:1] O=C(Nc1cccc(c1)CNc1cc(ccn1)[*:1])c1ccco1
CC(C)[C@@H](C)CNC(=O)c1nc[nH]n1 CC(C)[*:1] C[C@@H](CNC(=O)c1nc[nH]n1)[*:1]
Cc1cccc2nc(COc3ccc(-n4cncn4)cc3)cn12 c1ncn(n1)[*:1] Cc1cccc2nc(cn12)COc1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)c1cccc(c1)[*:1]
CC[C@H](NC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O)c1nccs1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)N(C)[C@H]1CCN(C1=O)[*:1])c1nccs1
CC[C@H](NC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O)c1nccs1 CC[C@H](c1nccs1)[*:1] CN(C(=O)N[*:1])[C@H]1CCN(C1=O)c1ccccc1
CC[C@H](NC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)N(C)[C@H]1CCN(C1=O)c1ccccc1)[*:1]
O=C(CCc1nc2c(F)cccc2[nH]1)OC1CCC1 C1CC(C1)[*:1] O=C(CCc1nc2c(F)cccc2[nH]1)O[*:1]
Cc1cc(C(F)F)n2ncc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)c2n1 Clc1ccc(c(Cl)c1)[*:1] Cc1cc(C(F)F)n2ncc(C(=O)Nc3cnn(c3)C[*:1])c2n1
Cc1cc(C(F)F)n2ncc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)c2n1 FC(F)[*:1] Cc1cc(n2ncc(C(=O)Nc3cnn(c3)Cc3ccc(Cl)cc3Cl)c2n1)[*:1]
Cc1cc(C(F)F)n2ncc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)c2n1 Clc1ccc(C[*:1])c(Cl)c1 Cc1cc(C(F)F)n2ncc(C(=O)Nc3cnn(c3)[*:1])c2n1
Cc1cnn(C[C@H]2CCCN2C(=O)c2c(C)[nH]c3ccccc23)c1 Cc1cnn(c1)C[*:1] Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H]1[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2c(C)[nH]c3ccccc23)c1 Cc1cnn(c1)[*:1] Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H]1C[*:1]
O=C1CC[C@@H](C(=O)N[C@@H](c2ccccc2F)C2CCCC2)O1 Fc1ccccc1[*:1] O=C1CC[C@H](O1)C(=O)N[C@@H](C1CCCC1)[*:1]
O=C1CC[C@@H](C(=O)N[C@@H](c2ccccc2F)C2CCCC2)O1 O=C1CC[C@@H](O1)[*:1] O=C(N[C@@H](c1ccccc1F)C1CCCC1)[*:1]
O=C1CC[C@@H](C(=O)N[C@@H](c2ccccc2F)C2CCCC2)O1 C1CCC(C1)[*:1] O=C1CC[C@H](O1)C(=O)N[C@@H](c1ccccc1F)[*:1]
CCC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCC(=O)N[C@H]1CCC[C@H](C1)[*:1]
CCC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CCC(=O)N[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[*:1]
C[C@H]1CN(C[C@H](O)COC(C)(C)C)[C@H](C)CO1 CC(C)(C)[*:1] C[C@H]1CN(C[C@H](O)CO[*:1])[C@H](C)CO1
C[C@H]1CN(C[C@H](O)COC(C)(C)C)[C@H](C)CO1 CC(C)(C)O[*:1] C[C@H]1CN(C[C@H](O)C[*:1])[C@H](C)CO1
O=C(Cc1cccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)c1)Nc1cccnc1 O=C(Nc1cccnc1)[*:1] O=C(Nc1cccc(c1)C[*:1])c1nn(-c2ccccc2)c(=O)c2ncccc12
O=C(Cc1cccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)c1)Nc1cccnc1 c1ccc(cc1)[*:1] O=C(Cc1cccc(c1)NC(=O)c1nn(c(=O)c2ncccc12)[*:1])Nc1cccnc1
O=C(Cc1cccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)c1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(Cc1cccc(c1)NC(=O)c1nn(-c2ccccc2)c(=O)c2ncccc12)N[*:1]
O=C(Cc1cccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)c1)Nc1cccnc1 O=C(C[*:1])Nc1cccnc1 O=C(Nc1cccc(c1)[*:1])c1nn(-c2ccccc2)c(=O)c2ncccc12
C[C@](N)(C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C(F)(F)F C1CO[C@@H](C1)[*:1] C[C@](N)(C(=O)Nc1cnn(c1)C[*:1])C(F)(F)F
C[C@](N)(C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(C(=O)Nc1cnn(c1)C[C@@H]1CCCO1)[*:1]
C[C@](N)(C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C(F)(F)F C1CO[C@@H](C1)C[*:1] C[C@](N)(C(=O)Nc1cnn(c1)[*:1])C(F)(F)F
Cc1[nH+]cn(C[C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1[nH+]cn(C[C@H](C)[NH2+]C(c2ccccc2)[*:1])c1C
CCC[NH2+]Cc1ccc(OC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 CCC[*:1] c1cc(ccc1C[NH2+][*:1])OC[C@@H]1C[C@H]2CC[C@@H]1C2
Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Nc1ccccc1S[C@H](CC(=O)c1ccccc1)[*:1]
Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccccc1 O=C(c1ccccc1)[*:1] Nc1ccccc1S[C@H](C[*:1])c1ccccc1
Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Nc1ccccc1S[C@H](CC(=O)[*:1])c1ccccc1
Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccccc1 Nc1ccccc1S[*:1] O=C(C[C@H](c1ccccc1)[*:1])c1ccccc1
Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccccc1 Nc1ccccc1[*:1] O=C(C[C@@H](S[*:1])c1ccccc1)c1ccccc1
N#Cc1ccc(CN2CC[NH+](CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 C1CCC(C1)[*:1] N#Cc1ccc(cc1)CN1CC[NH+](CC1)CC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
N#Cc1ccc(CN2CC[NH+](CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 N#Cc1ccc(cc1)C[*:1] O=C(C[NH+]1CCN(CC1)[*:1])N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
N#Cc1ccc(CN2CC[NH+](CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
COc1ccccc1NC(=O)CCn1cnc2c(-c3ccc(C)cc3)noc2c1=O COc1ccccc1[*:1] Cc1ccc(cc1)-c1noc2c(=O)n(cnc12)CCC(=O)N[*:1]
COc1ccccc1NC(=O)CCn1cnc2c(-c3ccc(C)cc3)noc2c1=O Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)CCn1cnc2c(noc2c1=O)[*:1]
Cn1cnc(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1Cl c1c[nH]c(n1)[*:1] Cn1cnc(c1Cl)S(=O)(=O)N1CCC[C@H](C1)[*:1]
Cn1cnc(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1Cl Cn1cnc(c1Cl)[*:1] O=S(=O)(N1CCC[C@@H](C1)c1ncc[nH]1)[*:1]
CN(C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)NCc1ccc([nH+]c1)N1CCCCCC1)[*:1]
CN(C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)C1CCCCC1 C1CCCN(CC1)[*:1] CN(C(=O)NCc1ccc([nH+]c1)[*:1])C1CCCCC1
CSc1nsc(NC(=O)Cc2ccccc2OC(F)F)n1 FC(F)[*:1] CSc1nsc(n1)NC(=O)Cc1ccccc1O[*:1]
CSc1nsc(NC(=O)Cc2ccccc2OC(F)F)n1 CSc1nsc(n1)[*:1] O=C(Cc1ccccc1OC(F)F)N[*:1]
CSc1nsc(NC(=O)Cc2ccccc2OC(F)F)n1 FC(F)O[*:1] CSc1nsc(n1)NC(=O)Cc1ccccc1[*:1]
CC(C)(CNC(=O)C(=O)Nc1cccnc1Cl)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(CNC(=O)C(=O)Nc1cccnc1Cl)[*:1]
CC(C)(CNC(=O)C(=O)Nc1cccnc1Cl)c1cccc(F)c1 Clc1ncccc1[*:1] CC(C)(CNC(=O)C(=O)N[*:1])c1cccc(F)c1
Cn1c(=O)oc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 Clc1ccc(s1)[*:1] Cn1c(=O)oc2ccc(cc21)[N-]S(=O)(=O)[*:1]
CC1(C)CCC[C@H]1NC(=O)NC[C@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] CC1(C)CCC[C@H]1NC(=O)NC[C@H](CCO)[*:1]
CC1(C)CCC[C@H]1NC(=O)NC[C@H](CCO)c1ccccc1 OCC[*:1] CC1(C)CCC[C@H]1NC(=O)NC[C@H](c1ccccc1)[*:1]
CC1(C)CCC[C@H]1NC(=O)NC[C@H](CCO)c1ccccc1 CC1(C)CCC[C@@H]1[*:1] O=C(NC[C@H](CCO)c1ccccc1)N[*:1]
COc1ccccc1[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1C(=O)[O-] O=C([O-])[*:1] COc1ccccc1[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cnn2ccccc12
COc1ccccc1[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1C(=O)[O-] c1ccn2ncc(c2c1)[*:1] COc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)[*:1]
COc1ccccc1[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1C(=O)[O-] COc1ccccc1[*:1] O=C([O-])[C@@H]1CN(C[C@H]1[*:1])C(=O)c1cnn2ccccc12
O=C1[C@@H](Sc2nncn2C2CC2)CCN1c1ccccc1 C1CC1[*:1] O=C1[C@H](CCN1c1ccccc1)Sc1nncn1[*:1]
O=C1[C@@H](Sc2nncn2C2CC2)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCN1[*:1])Sc1nncn1C1CC1
Cc1cccc(C)c1NC(=O)CNS(=O)(=O)N(C)C1CCCCC1 C1CCC(CC1)[*:1] Cc1cccc(C)c1NC(=O)CNS(=O)(=O)N(C)[*:1]
Cc1cccc(C)c1NC(=O)CNS(=O)(=O)N(C)C1CCCCC1 Cc1cccc(C)c1[*:1] CN(C1CCCCC1)S(=O)(=O)NCC(=O)N[*:1]
O=C(Nc1ccccc1SCc1ccsc1)C(=O)N1CCC[C@@H]2CCC[C@H]21 c1cc(cs1)[*:1] O=C(Nc1ccccc1SC[*:1])C(=O)N1CCC[C@@H]2CCC[C@H]21
O=C(Nc1ccccc1SCc1ccsc1)C(=O)N1CCC[C@@H]2CCC[C@H]21 c1cc(cs1)C[*:1] O=C(Nc1ccccc1S[*:1])C(=O)N1CCC[C@@H]2CCC[C@H]21
O=C(Nc1ccccc1SCc1ccsc1)C(=O)N1CCC[C@@H]2CCC[C@H]21 c1cc(cs1)CS[*:1] O=C(Nc1ccccc1[*:1])C(=O)N1CCC[C@@H]2CCC[C@H]21
O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CCC[C@H](C1)[*:1]
CC[C@@H](NC(=O)c1cnc2sc(C)cn2c1=O)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@@H](NC(=O)c1cnc2sc(C)cn2c1=O)[*:1]
COC(=O)c1ccccc1NC(=O)Cn1c(N)nnc1SC COC(=O)[*:1] CSc1nnc(N)n1CC(=O)Nc1ccccc1[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cc(F)ccc3O)CC2)C1 Oc1ccc(F)cc1[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CCN(CC1)C(=O)[*:1]
CCN1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1 C1CC1[*:1] CCN1CCc2c(C1)sc(NC(=O)[*:1])c2-c1nc2ccccc2s1
CCN1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1 O=C(N[*:1])C1CC1 CCN1CCc2c(C1)sc(c2-c1nc2ccccc2s1)[*:1]
CC[C@@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc[nH+]3)C[C@H]12 FC(F)(F)[*:1] CC[C@@H](C)NC(=O)[C@@H]1Cc2cc(ccc2N2CCN(C[C@H]12)c1cccc[nH+]1)[*:1]
CC[C@@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc[nH+]3)C[C@H]12 CC[C@@H](C)NC(=O)[*:1] FC(F)(F)c1ccc2c(c1)C[C@H]([C@H]1CN(CCN21)c1cccc[nH+]1)[*:1]
CC[C@@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc[nH+]3)C[C@H]12 CC[C@@H](C)[*:1] O=C(N[*:1])[C@@H]1Cc2cc(ccc2N2CCN(C[C@H]12)c1cccc[nH+]1)C(F)(F)F
CC(=O)Nc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 Cc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)-c1nnc(o1)[*:1]
CC(=O)Nc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 CC(=O)N[*:1] Cc1ccccc1-c1nnc(o1)-c1ccc(cc1)[*:1]
CC1([C@@](C)(O)[C@]2(C[NH3+])CCOc3ccccc32)CC1 CC1(CC1)[*:1] C[C@@](O)([C@]1(C[NH3+])CCOc2ccccc21)[*:1]
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1N1C(=O)[C@H](CCSC)NC1=S CSC[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1N1C(=O)[C@H](C[*:1])NC1=S
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1N1C(=O)[C@H](CCSC)NC1=S CSCC[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1N1C(=O)[C@H](NC1=S)[*:1]
Cc1ncsc1CN(C)Cc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] Cc1ncsc1CN(C)Cc1cccc(c1)O[*:1]
Cc1ncsc1CN(C)Cc1cccc(OC(F)(F)F)c1 Cc1ncsc1[*:1] CN(Cc1cccc(c1)OC(F)(F)F)C[*:1]
Cc1ncsc1CN(C)Cc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] Cc1ncsc1CN(C)Cc1cccc(c1)[*:1]
Cc1ncsc1CN(C)Cc1cccc(OC(F)(F)F)c1 Cc1ncsc1C[*:1] CN(Cc1cccc(c1)OC(F)(F)F)[*:1]
CCSc1nc2n(n1)[C@@H](c1ccco1)C(C(=O)OC)=C(C)N2 COC(=O)[*:1] CCSc1nc2NC(C)=C([C@H](c3ccco3)n2n1)[*:1]
CCSc1nc2n(n1)[C@@H](c1ccco1)C(C(=O)OC)=C(C)N2 CCS[*:1] COC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1ccco1)[*:1]
CCSc1nc2n(n1)[C@@H](c1ccco1)C(C(=O)OC)=C(C)N2 c1coc(c1)[*:1] CCSc1nc2NC(C)=C(C(=O)OC)[C@H](n2n1)[*:1]
C[NH2+]C[C@H](C)C(=O)N1CCc2cc(C(=O)[O-])ccc21 O=C([O-])[*:1] C[NH2+]C[C@H](C)C(=O)N1CCc2cc(ccc21)[*:1]
CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 CC[C@@H](C)[*:1] COc1cc(cc(Cl)c1O)[C@@H]1NC(=O)NC(C)=C1C(=O)O[*:1]
CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 CC[C@@H](C)OC(=O)[*:1] COc1cc(cc(Cl)c1O)[C@@H]1NC(=O)NC(C)=C1[*:1]
CN(CCO)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] OCC[*:1] CN(c1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCCCC1)[*:1]
CN(CCO)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CCO)c1ccc(cc1[*:1])S(=O)(=O)N1CCCCC1
CN(CCO)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] CN(CCO)[*:1] O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1
CN1C(=O)C[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)[C@H]1c1ccc(Cl)cc1 C[C@]1(CC1(Cl)Cl)[*:1] CN1C(=O)C[C@H](NC(=O)[*:1])[C@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)[C@@H]1[*:1]
Cc1ncc(C(=O)N[C@@H](C)C#N)c(Br)c1Cl C[C@@H](C#N)[*:1] Cc1ncc(C(=O)N[*:1])c(Br)c1Cl
O=S(=O)(c1cc(F)ccc1NCC1(O)CCOCC1)C(F)(F)F OC1(CCOCC1)[*:1] O=S(=O)(c1cc(F)ccc1NC[*:1])C(F)(F)F
O=S(=O)(c1cc(F)ccc1NCC1(O)CCOCC1)C(F)(F)F O=S(=O)(C(F)(F)F)[*:1] OC1(CCOCC1)CNc1ccc(F)cc1[*:1]
O=S(=O)(c1cc(F)ccc1NCC1(O)CCOCC1)C(F)(F)F FC(F)(F)[*:1] O=S(=O)(c1cc(F)ccc1NCC1(O)CCOCC1)[*:1]
CCC[NH2+][C@@H](C)c1c(F)cccc1Sc1ccncc1 CCC[*:1] C[C@H]([NH2+][*:1])c1c(F)cccc1Sc1ccncc1
CCC[NH2+][C@@H](C)c1c(F)cccc1Sc1ccncc1 c1cc(ccn1)[*:1] CCC[NH2+][C@@H](C)c1c(F)cccc1S[*:1]
COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)o1 COC(=O)[*:1] Cc1ccc(cc1)NC(=O)/C(C#N)=C\c1ccc(o1)[*:1]
COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)o1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(/C=C(/C#N)C(=O)N[*:1])o1
CC(C)N(C(=O)c1ccc(-c2nc(C3CC3)n[nH]2)cc1)C1CCC1 CC(C)[*:1] O=C(c1ccc(cc1)-c1nc(n[nH]1)C1CC1)N(C1CCC1)[*:1]
CC(C)N(C(=O)c1ccc(-c2nc(C3CC3)n[nH]2)cc1)C1CCC1 C1CC1[*:1] CC(C)N(C(=O)c1ccc(cc1)-c1nc(n[nH]1)[*:1])C1CCC1
CC(C)N(C(=O)c1ccc(-c2nc(C3CC3)n[nH]2)cc1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)c1ccc(cc1)-c1nc(n[nH]1)C1CC1)[*:1]
CC(C)N(C(=O)c1ccc(-c2nc(C3CC3)n[nH]2)cc1)C1CCC1 C1CC1c1n[nH]c(n1)[*:1] CC(C)N(C(=O)c1ccc(cc1)[*:1])C1CCC1
Cc1cccc(OC(=O)/C=C\c2ccc(C(=O)NC3CC3)cc2)c1 C1CC1[*:1] Cc1cccc(c1)OC(=O)/C=C\c1ccc(cc1)C(=O)N[*:1]
Cc1cccc(OC(=O)/C=C\c2ccc(C(=O)NC3CC3)cc2)c1 Cc1cccc(c1)[*:1] O=C(/C=C\c1ccc(cc1)C(=O)NC1CC1)O[*:1]
Cc1cccc(OC(=O)/C=C\c2ccc(C(=O)NC3CC3)cc2)c1 O=C(NC1CC1)[*:1] Cc1cccc(c1)OC(=O)/C=C\c1ccc(cc1)[*:1]
Cc1cc(NC(=O)c2cc(C)n(C3CC3)c2C)ccc1C(=O)N(C)C C1CC1[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)c1cc(C)n(c1C)[*:1]
Cc1cc(NC(=O)c2cc(C)n(C3CC3)c2C)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1cc(C)n(c1C)C1CC1
Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c1C Cc1cccc(c1C)[*:1] O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)N[*:1]
Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2C[*:1])c1C
Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c1C c1ccc(cc1)C[*:1] Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2[*:1])c1C
O=[N+]([O-])c1ccc(-c2cc[nH]n2)cc1CS(=O)(=O)c1ccccc1 c1cc(n[nH]1)[*:1] O=[N+]([O-])c1ccc(cc1CS(=O)(=O)c1ccccc1)[*:1]
O=[N+]([O-])c1ccc(-c2cc[nH]n2)cc1CS(=O)(=O)c1ccccc1 O=[N+]([O-])[*:1] O=S(=O)(Cc1cc(ccc1[*:1])-c1cc[nH]n1)c1ccccc1
O=[N+]([O-])c1ccc(-c2cc[nH]n2)cc1CS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1CS(=O)(=O)[*:1])-c1cc[nH]n1
COc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(S(N)(=O)=O)cc4)c23)cc1 NS(=O)(=O)[*:1] COc1ccc(cc1)-c1csc2ncnc(SCC(=O)Nc3ccc(cc3)[*:1])c12
COc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(S(N)(=O)=O)cc4)c23)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)-c1csc2ncnc(SCC(=O)N[*:1])c12
COc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(S(N)(=O)=O)cc4)c23)cc1 COc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CSc1ncnc2scc(c12)[*:1]
O=C(C[C@H](O)c1ccc(Cl)cc1)NCC(=O)c1cccs1 O=C(c1cccs1)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)NC[*:1]
O=C(C[C@H](O)c1ccc(Cl)cc1)NCC(=O)c1cccs1 Clc1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])NCC(=O)c1cccs1
O=C(C[C@H](O)c1ccc(Cl)cc1)NCC(=O)c1cccs1 c1csc(c1)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)NCC(=O)[*:1]
COc1ccccc1NC(=O)CCc1c(C)nc2c3cccnc3nn2c1C COc1ccccc1[*:1] Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)N[*:1]
O=C(CN1CCc2cc(F)ccc2C1)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CN1CCc2cc(F)ccc2C1)NC[*:1]
O=C(CN1CCc2cc(F)ccc2C1)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCc2cc(F)ccc2C1)NCC[*:1]
CCCn1c(S(=O)(=O)CCCc2ccc(Cl)cc2)n[nH]c1=O CCC[*:1] O=c1[nH]nc(n1[*:1])S(=O)(=O)CCCc1ccc(Cl)cc1
CCCn1c(S(=O)(=O)CCCc2ccc(Cl)cc2)n[nH]c1=O Clc1ccc(cc1)[*:1] CCCn1c(n[nH]c1=O)S(=O)(=O)CCC[*:1]
O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccnc1OCC(F)F FC(F)CO[*:1] O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccnc1[*:1]
O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccnc1OCC(F)F Fc1cccc(F)c1[*:1] O=C(N[C@H]1C[C@@H]1[*:1])c1cccnc1OCC(F)F
O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccnc1OCC(F)F FC(F)[*:1] O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccnc1OC[*:1]
O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccnc1OCC(F)F FC(F)C[*:1] O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccnc1O[*:1]
CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCOC(=O)c1oc2ccccc2c1NC(=O)[*:1]
CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(C)c1 CCOC(=O)[*:1] Cc1cccc(c1)C(=O)Nc1c(oc2ccccc12)[*:1]
CC(C)(O)C(=O)NN(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(O)C(=O)NN(c1ccccc1)[*:1]
CC(C)(O)C(=O)NN(c1ccccc1)c1ccccc1 CC(C)(O)[*:1] O=C(NN(c1ccccc1)c1ccccc1)[*:1]
CCN(C[C@H](C)C#N)c1ncnc2ccc(C)cc12 C[C@H](C#N)C[*:1] CCN(c1ncnc2ccc(C)cc12)[*:1]
C[C@H](NC(=O)c1cccc(OCC(F)F)n1)[C@H]1CN(C)CCO1 FC(F)[*:1] C[C@H](NC(=O)c1cccc(n1)OC[*:1])[C@H]1CN(C)CCO1
C[C@H](NC(=O)c1cccc(OCC(F)F)n1)[C@H]1CN(C)CCO1 FC(F)CO[*:1] C[C@H](NC(=O)c1cccc(n1)[*:1])[C@H]1CN(C)CCO1
C[C@H](NC(=O)c1cccc(OCC(F)F)n1)[C@H]1CN(C)CCO1 FC(F)C[*:1] C[C@H](NC(=O)c1cccc(n1)O[*:1])[C@H]1CN(C)CCO1
COCCn1ccc2ccc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)cc21 COCC[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)cc21 COC[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Nc1ccc2ccn(C[*:1])c2c1
NC(=O)c1ccc(NC(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1 NC(=O)[*:1] O=C(NC[C@@H]1CN(CCO1)C1CC1)Nc1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1 C1CC1[*:1] NC(=O)c1ccc(cc1)NC(=O)NC[C@@H]1CN(CCO1)[*:1]
CSCC[C@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 CSCC[C@H](C)[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)N[*:1]
CSCC[C@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 CSC[*:1] C[C@@H](C[*:1])NC(=O)Nc1cccc(c1)C[NH+](C)C
CSCC[C@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 CSCC[*:1] C[C@H](NC(=O)Nc1cccc(c1)C[NH+](C)C)[*:1]
O=C(Nc1cccc(C[NH+]2CCN(C3CC3)C(=O)C2)c1)c1ccc(Cl)cc1 C1CC1[*:1] O=C(Nc1cccc(c1)C[NH+]1CCN(C(=O)C1)[*:1])c1ccc(Cl)cc1
O=C(Nc1cccc(C[NH+]2CCN(C3CC3)C(=O)C2)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C[NH+](CCN1C1CC1)Cc1cccc(c1)NC(=O)[*:1]
C#CCOc1ccccc1C[NH+](C)CC(=O)Nc1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] C#CCOc1ccccc1C[NH+](C)CC(=O)N[*:1]
C#CCOc1ccccc1C[NH+](C)CC(=O)Nc1c(C)nn(C)c1C C#CCO[*:1] Cc1nn(C)c(C)c1NC(=O)C[NH+](C)Cc1ccccc1[*:1]
C#CCOc1ccccc1C[NH+](C)CC(=O)Nc1c(C)nn(C)c1C C#CC[*:1] Cc1nn(C)c(C)c1NC(=O)C[NH+](C)Cc1ccccc1O[*:1]
CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cnc(-c2cccnc2)nc1 c1cncc(c1)[*:1] CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cnc(nc1)[*:1]
CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cnc(-c2cccnc2)nc1 CC(=O)N[*:1] O=C(N[C@@H]1c2ccccc2C[C@H]1[*:1])c1cnc(nc1)-c1cccnc1
COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1nc(C)cs1 Cc1csc(n1)[*:1] COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C Cc1ccccc1[*:1] C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1ccc(Cl)cc1 c1csc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCCCC1)[*:1])c1ccc(Cl)cc1
O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)[*:1]
Cc1cc(CNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NCc1ccc(Cl)cc1)C(=O)NC[*:1]
Cc1cc(CNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)o1 Clc1ccc(cc1)[*:1] Cc1cc(CNC(=O)C(=O)NC[*:1])c(C)o1
Cc1ccc(OCCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)OCCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(OCCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CCO[*:1])N1CCN(CC1)S(=O)(=O)c1cccs1
Cc1ccc(OCCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1cccs1
CCc1cccc(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 CCc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)N[*:1])[N+](=O)[O-]
CCc1cccc(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 O=[N+]([O-])[*:1] CCc1cccc(c1)N[C@H](C)C(=O)Nc1cc(ccc1C)[*:1]
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C)c([N+](=O)[O-])c1)n2CCOC COCC[*:1] CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C)c(c1)[N+](=O)[O-])n2[*:1]
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C)c([N+](=O)[O-])c1)n2CCOC O=[N+]([O-])[*:1] CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C)c(c1)[*:1])n2CCOC
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C)c([N+](=O)[O-])c1)n2CCOC COC[*:1] CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C)c(c1)[N+](=O)[O-])n2C[*:1]
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C)c([N+](=O)[O-])c1)n2CCOC CCC[*:1] COCCn1c(nc2c1c(=O)[nH]c(=O)n2[*:1])-c1ccc(C)c(c1)[N+](=O)[O-]
CC(C)Cc1nnc(NC(=O)NCC2CCC2)s1 C1CC(C1)[*:1] CC(C)Cc1nnc(NC(=O)NC[*:1])s1
CC(C)Cc1nnc(NC(=O)NCC2CCC2)s1 C1CC(C1)C[*:1] CC(C)Cc1nnc(NC(=O)N[*:1])s1
CC(C)Cc1nnc(NC(=O)NCC2CCC2)s1 CC(C)C[*:1] O=C(NCC1CCC1)Nc1nnc(s1)[*:1]
CC(C)Cc1nnc(NC(=O)NCC2CCC2)s1 CC(C)[*:1] O=C(NCC1CCC1)Nc1nnc(C[*:1])s1
Cc1cccn2c(=O)c3cc(C#N)c(N)[n+](C4CCCC4)c3nc12 C1CCC(C1)[*:1] Cc1cccn2c(=O)c3cc(C#N)c(N)[n+](c3nc12)[*:1]
O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 C1CCc2nnc(n2CC1)[*:1] O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC[C@@H](C1)[*:1]
O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 c1ccc(cc1)[*:1] O=C([C@@H](Sc1ccccc1)[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 c1ccc(cc1)[*:1] O=C([C@@H](S[*:1])c1ccccc1)N1CCC[C@H](C1)c1nnc2CCCCCn21
O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 c1ccc(cc1)S[*:1] O=C([C@@H](c1ccccc1)[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)Cc1ccsc1 c1cc(cs1)C[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)Cc1ccsc1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCCN1C(=O)Cc1ccsc1)O[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)Cc1ccsc1 c1cc(cs1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)C[*:1]
Cc1cc(C)nc(SCc2c(C(=O)N3CCC[C@H](C)C3)nnn2-c2ccc(Cl)cc2)n1 Cc1cc(C)nc(n1)[*:1] C[C@H]1CCCN(C1)C(=O)c1nnn(-c2ccc(Cl)cc2)c1CS[*:1]
Cc1cc(C)nc(SCc2c(C(=O)N3CCC[C@H](C)C3)nnn2-c2ccc(Cl)cc2)n1 Cc1cc(C)nc(n1)SC[*:1] C[C@H]1CCCN(C1)C(=O)c1nnn(-c2ccc(Cl)cc2)c1[*:1]
Cc1cc(C)nc(SCc2c(C(=O)N3CCC[C@H](C)C3)nnn2-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1cc(C)nc(n1)SCc1c(nnn1[*:1])C(=O)N1CCC[C@H](C)C1
Cc1cc(C)nc(SCc2c(C(=O)N3CCC[C@H](C)C3)nnn2-c2ccc(Cl)cc2)n1 Cc1cc(C)nc(n1)S[*:1] C[C@H]1CCCN(C1)C(=O)c1nnn(-c2ccc(Cl)cc2)c1C[*:1]
CCOc1ccc(-c2csc(NC(=O)Nc3cccc(C)c3)n2)cc1 Cc1cccc(c1)[*:1] CCOc1ccc(cc1)-c1csc(n1)NC(=O)N[*:1]
CCOc1ccc(-c2csc(NC(=O)Nc3cccc(C)c3)n2)cc1 CCO[*:1] Cc1cccc(c1)NC(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 CNC(=O)C[*:1] O=S(=O)(NC[*:1])c1cccc(Cl)c1
CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 CNC(=O)[*:1] O=S(=O)(NCC[*:1])c1cccc(Cl)c1
CC(C)(C)[NH2+]Cc1cnn(C[C@@H]2Cc3ccccc3S2)c1 CC(C)(C)[*:1] c1ccc2S[C@@H](Cc2c1)Cn1cc(cn1)C[NH2+][*:1]
O=C(OCc1nc2ccccc2[nH]1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(OCc1nc2ccccc2[nH]1)[*:1]
NC(=O)C1(NC(=O)c2cncc(Br)c2)CCCCC1 NC(=O)[*:1] O=C(NC1(CCCCC1)[*:1])c1cncc(Br)c1
CC[C@@H](NC(=O)C=C(C)C)c1nc(-c2ccccc2)c[nH]1 CC(C)=C[*:1] CC[C@@H](NC(=O)[*:1])c1nc(c[nH]1)-c1ccccc1
CC[C@@H](NC(=O)C=C(C)C)c1nc(-c2ccccc2)c[nH]1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)C=C(C)C)c1nc(c[nH]1)[*:1]
CC[C@@H](NC(=O)C=C(C)C)c1nc(-c2ccccc2)c[nH]1 CC(C)=CC(=O)N[*:1] CC[C@@H](c1nc(c[nH]1)-c1ccccc1)[*:1]
C/C=C(\C)C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 c1ccc(nc1)[*:1] C/C=C(\C)C(=O)N1CCC(CC1)[C@]1(CCC(C)C)NC(=O)N(C[*:1])C1=O
C/C=C(\C)C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 CC(C)C[*:1] C/C=C(\C)C(=O)N1CCC(CC1)[C@]1(C[*:1])NC(=O)N(Cc2ccccn2)C1=O
C/C=C(\C)C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 CC(C)CC[*:1] C/C=C(\C)C(=O)N1CCC(CC1)[C@@]1(NC(=O)N(Cc2ccccn2)C1=O)[*:1]
C/C=C(\C)C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 CC(C)[*:1] C/C=C(\C)C(=O)N1CCC(CC1)[C@]1(CC[*:1])NC(=O)N(Cc2ccccn2)C1=O
C/C=C(\C)C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 CC=C(C)[*:1] CC(C)CC[C@]1(NC(=O)N(Cc2ccccn2)C1=O)C1CCN(CC1)C(=O)[*:1]
C/C=C(\C)C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 c1ccc(C[*:1])nc1 C/C=C(\C)C(=O)N1CCC(CC1)[C@]1(CCC(C)C)NC(=O)N(C1=O)[*:1]
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)NC[C@@H](c1ccco1)[NH+](C)C
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 c1coc(c1)[*:1] CC(=O)Nc1cc(cc(c1)C(=O)NC[C@@H]([NH+](C)C)[*:1])NC(C)=O
CN(C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1 c1csc(c1)[*:1] CN(C)[C@@H](CNC(=O)c1cn(nc1[*:1])-c1ccccc1)c1cccs1
CN(C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1 c1csc(c1)[*:1] CN(C)[C@@H](CNC(=O)c1cn(nc1-c1cccs1)-c1ccccc1)[*:1]
CN(C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1 CN(C)[*:1] O=C(NC[C@@H](c1cccs1)[*:1])c1cn(nc1-c1cccs1)-c1ccccc1
CN(C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1 c1ccc(cc1)[*:1] CN(C)[C@@H](CNC(=O)c1cn(nc1-c1cccs1)[*:1])c1cccs1
N#Cc1ccc([C@@H]2c3[nH+]c[nH]c3CCN2Cc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)[*:1] N#Cc1ccc(cc1)[C@@H]1c2[nH+]c[nH]c2CCN1C[*:1]
N#Cc1ccc([C@@H]2c3[nH+]c[nH]c3CCN2Cc2ccc(Cl)nc2)cc1 N#Cc1ccc(cc1)[*:1] Clc1ccc(cn1)CN1CCc2[nH]c[nH+]c2[C@H]1[*:1]
N#Cc1ccc([C@@H]2c3[nH+]c[nH]c3CCN2Cc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)C[*:1] N#Cc1ccc(cc1)[C@@H]1c2[nH+]c[nH]c2CCN1[*:1]
CC(=O)N1CCC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC[NH+](CC1)Cc1nnc(o1)[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)C(=O)N[*:1]
O=C(CCNC(=O)c1ccco1)Nc1cc2c(cc1Br)OCCO2 c1coc(c1)[*:1] O=C(CCNC(=O)[*:1])Nc1cc2OCCOc2cc1Br
O=C(CCNC(=O)c1ccco1)Nc1cc2c(cc1Br)OCCO2 O=C(N[*:1])c1ccco1 O=C(CC[*:1])Nc1cc2OCCOc2cc1Br
CCS[C@H]1CC[C@H]([NH2+]C)C1 CCS[*:1] C[NH2+][C@H]1CC[C@@H](C1)[*:1]
CCc1cc(N[C@H](C)C(=O)N2CCOCC2)nc(-c2ccccn2)n1 O=C(N1CCOCC1)[*:1] CCc1cc(nc(n1)-c1ccccn1)N[C@H](C)[*:1]
CCc1cc(N[C@H](C)C(=O)N2CCOCC2)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CCc1cc(nc(n1)[*:1])N[C@H](C)C(=O)N1CCOCC1
N#Cc1cc2ccccc2nc1SCC(N)=O NC(=O)[*:1] N#Cc1cc2ccccc2nc1SC[*:1]
N#Cc1cc2ccccc2nc1SCC(N)=O NC(=O)CS[*:1] N#Cc1cc2ccccc2nc1[*:1]
N#Cc1cc2ccccc2nc1SCC(N)=O NC(=O)C[*:1] N#Cc1cc2ccccc2nc1S[*:1]
Nc1sc(SCC(=O)N2CCCc3ccccc32)nc1-c1ccccc1 c1ccc(cc1)[*:1] Nc1sc(nc1[*:1])SCC(=O)N1CCCc2ccccc21
CC[C@H](C)Nc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] Fc1ccccc1[*:1] CC[C@H](C)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
CC[C@H](C)Nc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H](C)Nc1ncnc(Nc2ccccc2F)c1[*:1]
CC[C@H](C)Nc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] CC[C@H](C)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1ccccc1F
CC[C@H](C)Nc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] CC[C@H](C)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccccc1F
CCc1c(C(=O)Nc2cccc(-n3ccnc3)c2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] CCc1c(cnn1[*:1])C(=O)Nc1cccc(c1)-n1ccnc1
CCc1c(C(=O)Nc2cccc(-n3ccnc3)c2)cnn1-c1ccccn1 c1cn(cn1)[*:1] CCc1c(cnn1-c1ccccn1)C(=O)Nc1cccc(c1)[*:1]
O=C(CCCCl)N(Cc1ccsc1)CC(F)(F)F FC(F)(F)[*:1] O=C(CCCCl)N(Cc1ccsc1)C[*:1]
O=C(CCCCl)N(Cc1ccsc1)CC(F)(F)F ClCC[*:1] O=C(C[*:1])N(Cc1ccsc1)CC(F)(F)F
O=C(CCCCl)N(Cc1ccsc1)CC(F)(F)F FC(F)(F)C[*:1] O=C(CCCCl)N(Cc1ccsc1)[*:1]
O=C(CCCCl)N(Cc1ccsc1)CC(F)(F)F c1cc(cs1)C[*:1] O=C(CCCCl)N(CC(F)(F)F)[*:1]
O=C(CCCCl)N(Cc1ccsc1)CC(F)(F)F ClCCC[*:1] O=C(N(Cc1ccsc1)CC(F)(F)F)[*:1]
O=C(CCCCl)N(Cc1ccsc1)CC(F)(F)F c1cc(cs1)[*:1] O=C(CCCCl)N(CC(F)(F)F)C[*:1]
NNc1nc(NCc2ccco2)c2nc[nH]c2n1 c1coc(c1)[*:1] NNc1nc(NC[*:1])c2nc[nH]c2n1
NNc1nc(NCc2ccco2)c2nc[nH]c2n1 c1coc(c1)C[*:1] NNc1nc(N[*:1])c2nc[nH]c2n1
CCN(C(=O)CCSc1nnnn1C)[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CCN(C(=O)CCSc1nnnn1C)[*:1]
CCN(C(=O)CCSc1nnnn1C)[C@H](C)C(C)C CC(C)[*:1] CCN(C(=O)CCSc1nnnn1C)[C@H](C)[*:1]
CCN(C(=O)CCSc1nnnn1C)[C@H](C)C(C)C Cn1nnnc1[*:1] CCN(C(=O)CCS[*:1])[C@H](C)C(C)C
CC[C@H](Nc1ccc(C)cc1[N+](=O)[O-])c1ccncc1 O=[N+]([O-])[*:1] CC[C@H](Nc1ccc(C)cc1[*:1])c1ccncc1
CC[C@H](Nc1ccc(C)cc1[N+](=O)[O-])c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](Nc1ccc(C)cc1[N+](=O)[O-])[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](c2n[nH]c(C)n2)C(C)C)cc1 Cc1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@H](NS(=O)(=O)[*:1])C(C)C
Cc1ccc(S(=O)(=O)N[C@@H](c2n[nH]c(C)n2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](c1n[nH]c(C)n1)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](c2n[nH]c(C)n2)C(C)C)cc1 Cc1nc(n[nH]1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)[*:1]
Cc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1 O=C([O-])[*:1] Cc1ccc(/C=C2/SC(=O)N(C[*:1])C2=O)cc1
Cc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1 O=C([O-])C[*:1] Cc1ccc(/C=C2/SC(=O)N(C2=O)[*:1])cc1
C[C@@H](OC(=O)Cc1noc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)Cc1noc2ccccc12)[*:1]
CO[C@H](C)c1nc(C)c([C@H](C)C[NH3+])c(C)n1 CO[C@H](C)[*:1] Cc1nc(nc(C)c1[C@H](C)C[NH3+])[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc3ncsc3c2)CC1 c1nc2ccc(cc2s1)[*:1] Cc1cccc(C)c1NC(=O)CN1CCN(CC1)C(=O)[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc3ncsc3c2)CC1 Cc1cccc(C)c1[*:1] O=C(CN1CCN(CC1)C(=O)c1ccc2ncsc2c1)N[*:1]
O=c1cc(CN(CCc2ccco2)Cc2ccsc2)nc([O-])[nH]1 c1coc(c1)CC[*:1] O=c1cc(CN(Cc2ccsc2)[*:1])nc([O-])[nH]1
O=c1cc(CN(CCc2ccco2)Cc2ccsc2)nc([O-])[nH]1 c1coc(c1)[*:1] O=c1cc(CN(CC[*:1])Cc2ccsc2)nc([O-])[nH]1
O=c1cc(CN(CCc2ccco2)Cc2ccsc2)nc([O-])[nH]1 c1cc(cs1)C[*:1] O=c1cc(CN(CCc2ccco2)[*:1])nc([O-])[nH]1
O=c1cc(CN(CCc2ccco2)Cc2ccsc2)nc([O-])[nH]1 c1coc(c1)C[*:1] O=c1cc(CN(Cc2ccsc2)C[*:1])nc([O-])[nH]1
O=c1cc(CN(CCc2ccco2)Cc2ccsc2)nc([O-])[nH]1 c1cc(cs1)[*:1] O=c1cc(CN(CCc2ccco2)C[*:1])nc([O-])[nH]1
CC(C)NC(=O)CCNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 CC(C)[*:1] C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCCC(=O)N[*:1]
CC(C)NC(=O)CCNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 CC(C)NC(=O)[*:1] C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCC[*:1]
CC(C)NC(=O)CCNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)NC(=O)CCNC(=O)N(C)[C@@H](C)[*:1]
CC(C)NC(=O)CCNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 CC(C)NC(=O)C[*:1] C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NC[*:1]
C#CCOc1cccc(F)c1 C#CC[*:1] Fc1cccc(c1)O[*:1]
CCn1cc[nH+]c1CN(C)C(=O)Nc1ccnn1[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CCn1cc[nH+]c1CN(C)C(=O)Nc1ccnn1[*:1]
CCn1cc[nH+]c1CN(C)C(=O)Nc1ccnn1[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCn1cc[nH+]c1CN(C)C(=O)Nc1ccnn1[C@@H](C)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCc3ccccc32)C1 CCNS(=O)(=O)[*:1] O=C(N[C@@H]1CCc2ccccc21)N1CC[C@H](C1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1c(F)c(F)c(F)c(F)c1F CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)CSc1c(F)c(F)c(F)c(F)c1F)[*:1]
CS(=O)(=O)CCCS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CS(=O)(=O)CCCS(=O)(=O)N1CCC(CC1)[*:1]
CS(=O)(=O)CCCS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1 CS(=O)(=O)CC[*:1] O=S(=O)(C[*:1])N1CCC(CC1)c1ccc(F)cc1
CS(=O)(=O)CCCS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1 CS(=O)(=O)CCC[*:1] O=S(=O)(N1CCC(CC1)c1ccc(F)cc1)[*:1]
CS(=O)(=O)CCCS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1 CS(=O)(=O)[*:1] O=S(=O)(CCC[*:1])N1CCC(CC1)c1ccc(F)cc1
CS(=O)(=O)CCCS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1 CS(=O)(=O)C[*:1] O=S(=O)(CC[*:1])N1CCC(CC1)c1ccc(F)cc1
C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)nc1)C1CC1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)nc1)[*:1]
CCC(CC)N1C(=O)[C@@](C)(CC)NC(=O)C1(C)C CCC(CC)[*:1] CC[C@@]1(C)NC(=O)C(C)(C)N(C1=O)[*:1]
O=C1CC[C@@H](C(=O)N[C@H]2CCSc3c(F)cccc32)O1 O=C1CC[C@@H](O1)[*:1] O=C(N[C@H]1CCSc2c(F)cccc21)[*:1]
Nc1c(C(=O)Nc2ccc(F)cc2)c2ccccc2n1C(=O)c1ccccc1 Fc1ccc(cc1)[*:1] Nc1c(C(=O)N[*:1])c2ccccc2n1C(=O)c1ccccc1
Nc1c(C(=O)Nc2ccc(F)cc2)c2ccccc2n1C(=O)c1ccccc1 c1ccc(cc1)[*:1] Nc1c(C(=O)Nc2ccc(F)cc2)c2ccccc2n1C(=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccccn2)C1 CC(C)(C)[*:1] O=C(N[C@@H]1CCCN(C1)C(=O)O[*:1])c1ccccn1
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)c1ccnc(OC(C)(C)C)c1 COC(=O)C[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N1CCCC[C@@H]1[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] COC(=O)C[C@H]1CCCCN1C(=O)c1ccnc(c1)O[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] COC(=O)C[C@H]1CCCCN1C(=O)c1ccnc(c1)[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)c1ccnc(OC(C)(C)C)c1 COC(=O)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N1CCCC[C@@H]1C[*:1]
Cc1c(CCC(=O)NC2CC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 C1CC1[*:1] Cc1c(CCC(=O)N[*:1])c(=O)n2nc(nc2n1Cc1ccccc1)-c1ccccc1
Cc1c(CCC(=O)NC2CC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(CCC(=O)NC2CC2)c(=O)n2nc(nc2n1Cc1ccccc1)[*:1]
Cc1c(CCC(=O)NC2CC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 O=C(CC[*:1])NC1CC1 Cc1c(c(=O)n2nc(nc2n1Cc1ccccc1)-c1ccccc1)[*:1]
Cc1c(CCC(=O)NC2CC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 O=C(NC1CC1)[*:1] Cc1c(CC[*:1])c(=O)n2nc(nc2n1Cc1ccccc1)-c1ccccc1
Cc1c(CCC(=O)NC2CC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 O=C(C[*:1])NC1CC1 Cc1c(C[*:1])c(=O)n2nc(nc2n1Cc1ccccc1)-c1ccccc1
Cc1c(CCC(=O)NC2CC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(CCC(=O)NC2CC2)c(=O)n2nc(nc2n1C[*:1])-c1ccccc1
Cc1c(CCC(=O)NC2CC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1c(CCC(=O)NC2CC2)c(=O)n2nc(nc2n1[*:1])-c1ccccc1
O=C1CC[C@@H](C(=O)Nc2nc(-c3ccccn3)cs2)CN1 c1ccc(nc1)[*:1] O=C1CC[C@H](CN1)C(=O)Nc1nc(cs1)[*:1]
COCCCOc1cccc(CNC(=O)N2CC[C@@H](C)[C@H](O)C2)c1 COCCC[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCc1cccc(c1)O[*:1]
COCCCOc1cccc(CNC(=O)N2CC[C@@H](C)[C@H](O)C2)c1 COC[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCc1cccc(c1)OCC[*:1]
COCCCOc1cccc(CNC(=O)N2CC[C@@H](C)[C@H](O)C2)c1 COCC[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCc1cccc(c1)OC[*:1]
COCCCOc1cccc(CNC(=O)N2CC[C@@H](C)[C@H](O)C2)c1 COCCCO[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCc1cccc(c1)[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)c1ccc(C#N)cc1[*:1]
Cc1ccc(NCc2nnc(C(C)(C)C)o2)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)NCc1nnc(o1)[*:1]
CC1(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)Cc2ccccc2C1 Fc1ccccc1[*:1] CC1(Cc2ccccc2C1)NC(=O)c1ccc(=O)n(n1)[*:1]
C[C@H]([NH2+]CCCc1ccc(O)cc1)c1nc2ccccc2n1C Oc1ccc(cc1)[*:1] C[C@H]([NH2+]CCC[*:1])c1nc2ccccc2n1C
CCc1nn(C)c(OC)c1CNC(=O)Nc1ccccc1-c1ccncc1 c1cc(ccn1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)Nc1ccccc1[*:1]
Cc1nc(Cc2nc(-c3ccc(F)cc3)cs2)cs1 Cc1nc(cs1)[*:1] Fc1ccc(cc1)-c1csc(C[*:1])n1
Cn1ncnc1NC(=O)N[C@H]1[C@@H](CO)[C@H]2CC[C@@H]1C2 Cn1ncnc1[*:1] O=C(N[C@H]1[C@@H](CO)[C@H]2CC[C@@H]1C2)N[*:1]
COCC(=O)N1CCc2sccc2[C@H]1C(=O)OC COC[*:1] COC(=O)[C@@H]1c2ccsc2CCN1C(=O)[*:1]
COCC(=O)N1CCc2sccc2[C@H]1C(=O)OC COC(=O)[*:1] COCC(=O)N1CCc2sccc2[C@@H]1[*:1]
CC(C)Oc1cccc(CNC(=O)CN2CCCOC2=O)c1 O=C1OCCCN1[*:1] CC(C)Oc1cccc(c1)CNC(=O)C[*:1]
CC(C)Oc1cccc(CNC(=O)CN2CCCOC2=O)c1 CC(C)O[*:1] O=C(CN1CCCOC1=O)NCc1cccc(c1)[*:1]
CC(C)Oc1cccc(CNC(=O)CN2CCCOC2=O)c1 CC(C)[*:1] O=C(CN1CCCOC1=O)NCc1cccc(c1)O[*:1]
CC1=NO[C@](C)(CNC(=O)[C@H]2CCCO2)C1 C1CO[C@H](C1)[*:1] CC1C[C@@](C)(CNC(=O)[*:1])ON=1
CC(C)CN(CC/C(N)=N/O)C(=O)N1CCC(C)CC1 N/C(CC[*:1])=N\O CC(C)CN(C(=O)N1CCC(C)CC1)[*:1]
CC(C)CN(CC/C(N)=N/O)C(=O)N1CCC(C)CC1 N/C(=N\O)[*:1] CC(C)CN(CC[*:1])C(=O)N1CCC(C)CC1
CC(C)CN(CC/C(N)=N/O)C(=O)N1CCC(C)CC1 N/C(C[*:1])=N\O CC(C)CN(C[*:1])C(=O)N1CCC(C)CC1
CC(C)CN(CC/C(N)=N/O)C(=O)N1CCC(C)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)N(CC/C(N)=N/O)C[*:1]
CC(C)CN(CC/C(N)=N/O)C(=O)N1CCC(C)CC1 CC(C)C[*:1] CC1CCN(CC1)C(=O)N(CC/C(N)=N/O)[*:1]
C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1nnn[n-]1 C1CCC(CC1)[*:1] C[C@H](NC(=O)C[*:1])C(=O)Nc1nnn[n-]1
COc1ccc2c(c1)C=C[C@@H](C#N)N2C(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc2c(C=C[C@@H](C#N)N2C(=O)[*:1])c1
O=S(=O)(CCO)[N-]c1cnc(Br)cn1 OCC[*:1] O=S(=O)([N-]c1cnc(Br)cn1)[*:1]
C[C@@H](CO)CSCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 C[C@@H](CO)C[*:1] CC(C)(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)CS[*:1]
C[C@@H](CO)CSCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@@H](CO)CSCC(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
C[C@@H](CO)CSCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 C[C@@H](CO)[*:1] CC(C)(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)CSC[*:1]
Cc1nn(C)c(Oc2cccnc2)c1C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] Cc1nn(C)c(Oc2cccnc2)c1C[NH2+][C@@H]1C[C@H]1[*:1]
Cc1nn(C)c(Oc2cccnc2)c1C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 c1cncc(c1)O[*:1] Cc1nn(C)c(c1C[NH2+][C@@H]1C[C@@H]1C1CCCCC1)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 c1cncc(c1)[*:1] Cc1nn(C)c(O[*:1])c1C[NH2+][C@@H]1C[C@@H]1C1CCCCC1
C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(CC=C[*:1])CC1
C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 C(=C/c1ccccc1)\C[*:1] C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(CC1)[*:1]
C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 c1ccc2c(cccc2c1)[*:1] C[C@@H](NC(=O)C[*:1])C(=O)N1CCN(C/C=C/c2ccccc2)CC1
C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(CC1)C[*:1]
C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 c1ccc2c(cccc2c1)C[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCN(C/C=C/c2ccccc2)CC1
O=C(COc1ccc(F)cc1Cl)C1CCOCC1 C1CC(CCO1)[*:1] O=C(COc1ccc(F)cc1Cl)[*:1]
CCCc1ccc([C@@H]([NH2+]C[C@H]2CCCS2(=O)=O)C(C)C)cc1 CC(C)[*:1] CCCc1ccc(cc1)[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)[*:1]
CCCc1ccc([C@@H]([NH2+]C[C@H]2CCCS2(=O)=O)C(C)C)cc1 CCC[*:1] CC(C)[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(cc1)[*:1]
C[NH2+]C[C@H](Cc1ccsc1)c1ccc(C)cc1 c1cc(cs1)[*:1] C[NH2+]C[C@H](C[*:1])c1ccc(C)cc1
C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)o1 O=C1CCCN1[*:1] C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccc(cc2)[*:1])o1
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(Cc2ccccc2C(=O)[O-])C1 O=C([O-])[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(Cc2ccccc2[*:1])C1
CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)Nc3nccs3)cc21 c1csc(n1)[*:1] CC(=O)N1CCOc2ccc(cc21)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)Nc3nccs3)cc21 O=C(Nc1nccs1)[*:1] CC(=O)N1CCOc2ccc(cc21)S(=O)(=O)N1CCC[C@@H]1[*:1]
C/C=C(/C)C(=O)NCc1ccc(OC2CCCCC2)cc1 CC=C(C)[*:1] O=C(NCc1ccc(cc1)OC1CCCCC1)[*:1]
C/C=C(/C)C(=O)NCc1ccc(OC2CCCCC2)cc1 C1CCC(CC1)O[*:1] C/C=C(/C)C(=O)NCc1ccc(cc1)[*:1]
C/C=C(/C)C(=O)NCc1ccc(OC2CCCCC2)cc1 C/C=C(/C)C(=O)N[*:1] c1cc(ccc1C[*:1])OC1CCCCC1
C/C=C(/C)C(=O)NCc1ccc(OC2CCCCC2)cc1 C1CCC(CC1)[*:1] C/C=C(/C)C(=O)NCc1ccc(cc1)O[*:1]
CCc1ccc(-c2noc(CSc3nncn3-c3cccc(OC)c3)n2)cc1 COc1cccc(c1)[*:1] CCc1ccc(cc1)-c1noc(CSc2nncn2[*:1])n1
CCc1ccc(-c2noc(CSc3nncn3-c3cccc(OC)c3)n2)cc1 CCc1ccc(cc1)[*:1] COc1cccc(c1)-n1cnnc1SCc1nc(no1)[*:1]
COCCNC(=O)Nc1ccc(C)c(Cl)c1 COC[*:1] Cc1ccc(cc1Cl)NC(=O)NC[*:1]
COCCNC(=O)Nc1ccc(C)c(Cl)c1 COCC[*:1] Cc1ccc(cc1Cl)NC(=O)N[*:1]
C[C@@H](O/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(F)c1 C1CN(CCO1)[*:1] C[C@@H](O/N=C\c1ccc(c(c1)[N+](=O)[O-])[*:1])C(=O)Nc1ccc(F)c(F)c1
C[C@@H](O/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(F)c1 O=[N+]([O-])[*:1] C[C@@H](O/N=C\c1ccc(c(c1)[*:1])N1CCOCC1)C(=O)Nc1ccc(F)c(F)c1
C[C@@H](O/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](O/N=C\c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)C(=O)N[*:1]
CC[C@@H]1NN=C(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)S1 CC(C)OC(=O)[*:1] CC[C@@H]1NN=C(NC(=O)c2[nH]c(C)c(c2C)[*:1])S1
CC[C@@H]1NN=C(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)S1 CC(C)[*:1] CC[C@@H]1NN=C(NC(=O)c2[nH]c(C)c(C(=O)O[*:1])c2C)S1
COCCN1C[C@H](C(=O)NCc2ccccn2)CC1=O COC[*:1] O=C(NCc1ccccn1)[C@@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@H](C(=O)NCc2ccccn2)CC1=O COCC[*:1] O=C(NCc1ccccn1)[C@@H]1CC(=O)N(C1)[*:1]
COCCN1C[C@H](C(=O)NCc2ccccn2)CC1=O c1ccc(nc1)[*:1] COCCN1C[C@@H](CC1=O)C(=O)NC[*:1]
c1ccc(-n2ncc3c(N4CCC[C@@H](c5nncn5C5CC5)C4)ncnc32)cc1 c1ccc(cc1)[*:1] c1nc(c2cnn(c2n1)[*:1])N1CCC[C@H](C1)c1nncn1C1CC1
c1ccc(-n2ncc3c(N4CCC[C@@H](c5nncn5C5CC5)C4)ncnc32)cc1 C1CC1[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)N1CCC[C@H](C1)c1nncn1[*:1]
c1ccc(-n2ncc3c(N4CCC[C@@H](c5nncn5C5CC5)C4)ncnc32)cc1 c1nnc(n1C1CC1)[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)N1CCC[C@@H](C1)[*:1]
CC[C@@H](OC(=O)c1cnc2c(C)cccn2c1=O)c1cccc(OC)c1 COc1cccc(c1)[*:1] CC[C@@H](OC(=O)c1cnc2c(C)cccn2c1=O)[*:1]
Cc1cc(C)cc(N2CC[C@H](NC(=O)c3sccc3C)C2=O)c1 Cc1ccsc1[*:1] Cc1cc(C)cc(c1)N1CC[C@H](NC(=O)[*:1])C1=O
Cc1cccn2cc(C(=O)N3CC[C@@H](c4cc(C(=O)NCCO)c5ccccc5n4)C3)nc12 Cc1cccn2cc(nc12)[*:1] O=C(NCCO)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)[*:1]
Cc1cccn2cc(C(=O)N3CC[C@@H](c4cc(C(=O)NCCO)c5ccccc5n4)C3)nc12 OCC[*:1] Cc1cccn2cc(nc12)C(=O)N1CC[C@H](C1)c1cc(C(=O)N[*:1])c2ccccc2n1
Cc1cccn2cc(C(=O)N3CC[C@@H](c4cc(C(=O)NCCO)c5ccccc5n4)C3)nc12 O=C(NCCO)[*:1] Cc1cccn2cc(nc12)C(=O)N1CC[C@H](C1)c1cc(c2ccccc2n1)[*:1]
COc1cccc2cc(C(=O)NCCn3cnc(-c4ccccc4)cc3=O)oc12 c1ccc(cc1)[*:1] COc1cccc2cc(oc12)C(=O)NCCn1cnc(cc1=O)[*:1]
CNC(=O)CSCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 CNC(=O)CSC[*:1] COc1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
CNC(=O)CSCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 CNC(=O)[*:1] COc1ccc(cc1)-c1nn(cc1CSC[*:1])-c1ccccc1
CNC(=O)CSCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 CNC(=O)CS[*:1] COc1ccc(cc1)-c1nn(cc1C[*:1])-c1ccccc1
CNC(=O)CSCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CNC(=O)CSCc1cn(nc1[*:1])-c1ccccc1
CNC(=O)CSCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 c1ccc(cc1)[*:1] CNC(=O)CSCc1cn(nc1-c1ccc(cc1)OC)[*:1]
CNC(=O)CSCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 CNC(=O)C[*:1] COc1ccc(cc1)-c1nn(cc1CS[*:1])-c1ccccc1
NC(=O)c1cnc(NCCC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1 c1ccc(cc1)[*:1] NC(=O)c1cnc(NCCC(=O)N2CCN(CC2)[*:1])c(Cl)c1
NC(=O)c1cnc(NCCC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1 NC(=O)[*:1] O=C(CCNc1ncc(cc1Cl)[*:1])N1CCN(CC1)c1ccccc1
O=C1Nc2ccccc2[C@@]12Oc1ccccc1[C@H]1CC(c3ccco3)=NN12 c1coc(c1)[*:1] O=C1Nc2ccccc2[C@@]12Oc1ccccc1[C@H]1CC(=NN12)[*:1]
CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H](N2CCOC(C)(C)C2)C1 CCC[*:1] CC1(C)CN(CCO1)[C@H]1CCC[C@](C1)([NH2+][*:1])C(=O)[O-]
CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H](N2CCOC(C)(C)C2)C1 O=C([O-])[*:1] CCC[NH2+][C@@]1(CCC[C@@H](C1)N1CCOC(C)(C)C1)[*:1]
CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCC4)cnc32)cc1 O=C(NC1CCCC1)[*:1] CC(C)c1ccc(cc1)-n1ncc2c(=O)n(cnc21)C[*:1]
CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCC4)cnc32)cc1 CC(C)[*:1] O=C(Cn1cnc2c(cnn2-c2ccc(cc2)[*:1])c1=O)NC1CCCC1
CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCC4)cnc32)cc1 C1CCC(C1)[*:1] CC(C)c1ccc(cc1)-n1ncc2c(=O)n(cnc21)CC(=O)N[*:1]
CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCC4)cnc32)cc1 CC(C)c1ccc(cc1)[*:1] O=C(Cn1cnc2c(cnn2[*:1])c1=O)NC1CCCC1
CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCC4)cnc32)cc1 O=C(C[*:1])NC1CCCC1 CC(C)c1ccc(cc1)-n1ncc2c(=O)n(cnc21)[*:1]
Cc1ccnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 Cc1ccnc(c1)[*:1] O=C(N[*:1])c1cc(ccc1O)S(=O)(=O)N1CCOCC1
Cc1cccc([C@@H](CNCc2cccc([N+](=O)[O-])c2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H](CNCc1cccc(c1)[N+](=O)[O-])[*:1]
Cc1cccc([C@@H](CNCc2cccc([N+](=O)[O-])c2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] O=[N+]([O-])c1cccc(c1)CNC[C@@H](N1CCOCC1)[*:1]
Cc1cccc([C@@H](CNCc2cccc([N+](=O)[O-])c2)N2CCOCC2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)[C@@H](CNCc1cccc(c1)[*:1])N1CCOCC1
CCOc1cc2c(cc1C(=O)[O-])CCC2 O=C([O-])[*:1] CCOc1cc2CCCc2cc1[*:1]
CCOc1cc2c(cc1C(=O)[O-])CCC2 CCO[*:1] O=C([O-])c1cc2CCCc2cc1[*:1]
C[C@H](Cn1ccnc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 c1cn(cn1)C[*:1] C[C@H](NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@H](Cn1ccnc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 c1cn(cn1)[*:1] C[C@H](C[*:1])NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
C[C@H](Cn1ccnc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](Cn1ccnc1)NC(=O)/C=C/c1cccc(c1)[*:1]
Cc1cccc(NC(=O)CSCC(=O)N2CCOC[C@H]2C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)NC(=O)CSCC(=O)N1CCOC[C@@H]1[*:1]
Cc1cccc(NC(=O)CSCC(=O)N2CCOC[C@H]2C2CC2)c1 Cc1cccc(c1)[*:1] O=C(CSCC(=O)N1CCOC[C@H]1C1CC1)N[*:1]
COc1ccc([C@H](C)NC(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)N[C@H](C)[C@H](C)[*:1]
COc1ccc([C@H](C)NC(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1OC C[C@H](c1ccccc1)[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)N[C@H](C)[*:1]
COc1ccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)CSc2nnc3c4c5CCCCc5sc4ncn23)c(c1)[*:1]
C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)[*:1]
COCc1cc(CNC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)ccc1F COC[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCc1ccc(F)c(c1)[*:1]
COCc1cc(CNC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)ccc1F Cc1n[nH]c(C)c1[*:1] COCc1cc(ccc1F)CNC(=O)N1CCC[C@H]1[*:1]
O=C([C@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C([C@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC(O)(CC1)[*:1]
COc1ccc([C@@H](N)C(F)(F)C(F)(F)F)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)[C@@H](N)C(F)(F)[*:1]
CNC(=O)CCn1c(SCC(=O)[O-])nc2ccc(C)cc21 O=C([O-])C[*:1] CNC(=O)CCn1c(nc2ccc(C)cc21)S[*:1]
CNC(=O)CCn1c(SCC(=O)[O-])nc2ccc(C)cc21 O=C([O-])[*:1] CNC(=O)CCn1c(nc2ccc(C)cc21)SC[*:1]
CNC(=O)CCn1c(SCC(=O)[O-])nc2ccc(C)cc21 CNC(=O)[*:1] Cc1ccc2nc(SCC(=O)[O-])n(CC[*:1])c2c1
CNC(=O)CCn1c(SCC(=O)[O-])nc2ccc(C)cc21 O=C([O-])CS[*:1] CNC(=O)CCn1c(nc2ccc(C)cc21)[*:1]
CNC(=O)CCn1c(SCC(=O)[O-])nc2ccc(C)cc21 CNC(=O)CC[*:1] Cc1ccc2nc(SCC(=O)[O-])n(c2c1)[*:1]
CNC(=O)CCn1c(SCC(=O)[O-])nc2ccc(C)cc21 CNC(=O)C[*:1] Cc1ccc2nc(SCC(=O)[O-])n(C[*:1])c2c1
CCc1cc(CNC(=O)N2CCCC[C@H]2CCc2ccccc2)on1 CCc1cc(on1)[*:1] O=C(NC[*:1])N1CCCC[C@H]1CCc1ccccc1
CCc1cc(CNC(=O)N2CCCC[C@H]2CCc2ccccc2)on1 c1ccc(cc1)[*:1] CCc1cc(CNC(=O)N2CCCC[C@H]2CC[*:1])on1
CCc1cc(CNC(=O)N2CCCC[C@H]2CCc2ccccc2)on1 CCc1cc(C[*:1])on1 O=C(N[*:1])N1CCCC[C@H]1CCc1ccccc1
CCc1cc(CNC(=O)N2CCCC[C@H]2CCc2ccccc2)on1 c1ccc(cc1)C[*:1] CCc1cc(CNC(=O)N2CCCC[C@H]2C[*:1])on1
CCc1cc(CNC(=O)N2CCCC[C@H]2CCc2ccccc2)on1 c1ccc(cc1)CC[*:1] CCc1cc(CNC(=O)N2CCCC[C@@H]2[*:1])on1
CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(-c3ccccc3)cc2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCN[C@H](C1)c1ccc(cc1)-c1ccccc1
CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(-c3ccccc3)cc2)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCN[C@H](C1)c1ccc(cc1)[*:1]
NC(=O)c1cccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c1 FC(F)(F)[*:1] NC(=O)c1cccc(c1)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
NC(=O)c1cccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c1 NC(=O)[*:1] O=C1c2ccccc2N[C@H](c2cccc(c2)[*:1])N1CC(F)(F)F
NC(=O)c1cccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c1 FC(F)(F)C[*:1] NC(=O)c1cccc(c1)[C@H]1Nc2ccccc2C(=O)N1[*:1]
CCN(Cc1ccccn1)C(=O)c1ccc(NC(=O)c2ccco2)s1 c1coc(c1)[*:1] CCN(Cc1ccccn1)C(=O)c1ccc(NC(=O)[*:1])s1
CCN(Cc1ccccn1)C(=O)c1ccc(NC(=O)c2ccco2)s1 c1ccc(C[*:1])nc1 CCN(C(=O)c1ccc(NC(=O)c2ccco2)s1)[*:1]
CCN(Cc1ccccn1)C(=O)c1ccc(NC(=O)c2ccco2)s1 O=C(N[*:1])c1ccco1 CCN(Cc1ccccn1)C(=O)c1ccc(s1)[*:1]
CCN(Cc1ccccn1)C(=O)c1ccc(NC(=O)c2ccco2)s1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1ccc(NC(=O)c2ccco2)s1
O=C([O-])[C@H]1CN(C(=O)c2cccs2)CC[NH2+]1 c1csc(c1)[*:1] O=C([O-])[C@H]1CN(CC[NH2+]1)C(=O)[*:1]
O=C([O-])[C@H]1CN(C(=O)c2cccs2)CC[NH2+]1 O=C([O-])[*:1] O=C(c1cccs1)N1CC[NH2+][C@H](C1)[*:1]
CO[C@@H](CNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)N1C[C@H](C)O[C@H](C1)c1ccccc1)[*:1]
CO[C@@H](CNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)N1C[C@H](C)O[C@@H](C1)[*:1])c1ccc(F)cc1
CNC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 CNC(=O)CS[*:1] O=c1c2-c(nc(n3CCCCCc23)[*:1])nn1-c1ccccc1
CNC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 CNC(=O)[*:1] O=c1c2-c(nc(SC[*:1])n3CCCCCc23)nn1-c1ccccc1
CNC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 CNC(=O)C[*:1] O=c1c2-c(nc(S[*:1])n3CCCCCc23)nn1-c1ccccc1
CNC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 c1ccc(cc1)[*:1] CNC(=O)CSc1nc2nn(c(=O)c-2c2CCCCCn12)[*:1]
Cc1ccc(C(=O)[O-])cc1NC(=O)c1nn(C)c(=O)c2ccccc12 O=C([O-])[*:1] Cc1ccc(cc1NC(=O)c1nn(C)c(=O)c2ccccc12)[*:1]
CC(C)CCOc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2O)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)OCC[*:1])N[C@H]1CCCC[C@@H]1O
CC(C)CCOc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2O)cc1 CC(C)CCO[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H]1CCCC[C@@H]1O
CC(C)CCOc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2O)cc1 CC(C)CC[*:1] O=C(Nc1ccc(cc1)O[*:1])N[C@H]1CCCC[C@@H]1O
CC(C)CCOc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2O)cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)OC[*:1])N[C@H]1CCCC[C@@H]1O
COc1ccccc1OCCCc1cccc(F)c1C(N)=O NC(=O)[*:1] COc1ccccc1OCCCc1cccc(F)c1[*:1]
CCCc1nc(CN2CCOC[C@H]2C)cs1 CCC[*:1] C[C@@H]1COCCN1Cc1csc(n1)[*:1]
CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 CCc1nnc(s1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)cc1
CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 Fc1ccc(cc1)[*:1] CCc1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
Cc1ccc(NC(=O)N2CCN(C(=O)Cc3cccs3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1cccs1)N1CCN(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCN(C(=O)Cc3cccs3)CC2)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(NC(=O)N2CCN(C(=O)Cc3cccs3)CC2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)C[*:1]
COc1c(Cl)ccnc1C(F)(F)F FC(F)(F)[*:1] COc1c(Cl)ccnc1[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(=O)Cl CC(C)[*:1] C[C@H]1CC[C@H]([C@@H](C1)OCC(=O)Cl)[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(=O)Cl O=C(Cl)[*:1] CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(=O)Cl O=C(Cl)C[*:1] CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(=O)Cl O=C(Cl)CO[*:1] CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc(cc1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc(CN2CCCC2=O)cc1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)CN1CCCC1=O)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc(cc1)C[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc(CN2CCCC2=O)cc1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccc(cc1)CN1CCCC1=O
C[C@H]1CCCC[C@@H]1[NH2+]Cc1nncn1C1CC1 C1CC1[*:1] C[C@H]1CCCC[C@@H]1[NH2+]Cc1nncn1[*:1]
Cc1ccc2cccc([N+](=O)[O-])c2n1 O=[N+]([O-])[*:1] Cc1ccc2cccc(c2n1)[*:1]
CC(C)C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@@H]2C(=O)N(C)C(=O)[C@H]12 Fc1ccccc1[*:1] CC(C)C[C@@H]1N[C@]2(C(=O)N(C[*:1])c3ccccc32)[C@@H]2C(=O)N(C)C(=O)[C@H]12
CC(C)C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@@H]2C(=O)N(C)C(=O)[C@H]12 Fc1ccccc1C[*:1] CC(C)C[C@@H]1N[C@]2(C(=O)N(c3ccccc32)[*:1])[C@@H]2C(=O)N(C)C(=O)[C@H]12
CC(C)C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@@H]2C(=O)N(C)C(=O)[C@H]12 CC(C)C[*:1] CN1C(=O)[C@@H]2[C@@H](N[C@]3(C(=O)N(Cc4ccccc4F)c4ccccc43)[C@@H]2C1=O)[*:1]
CC(C)C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@@H]2C(=O)N(C)C(=O)[C@H]12 CC(C)[*:1] CN1C(=O)[C@@H]2[C@H](C[*:1])N[C@]3(C(=O)N(Cc4ccccc4F)c4ccccc43)[C@@H]2C1=O
Cn1nccc1CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O Cn1nccc1C[*:1] O=C1C[C@@H](Cc2ccc(F)cc2)C(=O)N1[*:1]
Cn1nccc1CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O Cn1nccc1[*:1] O=C1C[C@@H](Cc2ccc(F)cc2)C(=O)N1C[*:1]
Cn1nccc1CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] Cn1nccc1CN1C(=O)C[C@@H](C[*:1])C1=O
C[C@@H]1SCCC[C@H]1[NH2+]CC1CC1 C1CC1C[*:1] C[C@@H]1SCCC[C@H]1[NH2+][*:1]
C[C@@H]1SCCC[C@H]1[NH2+]CC1CC1 C1CC1[*:1] C[C@@H]1SCCC[C@H]1[NH2+]C[*:1]
CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1 CCn1cnc(c1)[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)[*:1])N1CCN(CC1)c1cccc[nH+]1
CC[S@](=O)Cc1ccc(N)c(F)c1 CC[S@](=O)[*:1] Nc1ccc(cc1F)C[*:1]
Cc1nc(NCCC[NH+]2CCOCC2)cc(-c2ccccn2)n1 c1ccc(nc1)[*:1] Cc1nc(cc(n1)[*:1])NCCC[NH+]1CCOCC1
C=CCOc1ccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 C=CCO[*:1] O=c1/c(=C/c2ccc(cc2)[N+](=O)[O-])sc2nc(nn12)-c1ccc(cc1)[*:1]
C=CCOc1ccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 O=[N+]([O-])[*:1] C=CCOc1ccc(cc1)-c1nc2s/c(=C\c3ccc(cc3)[*:1])c(=O)n2n1
C=CCOc1ccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 C=CC[*:1] O=c1/c(=C/c2ccc(cc2)[N+](=O)[O-])sc2nc(nn12)-c1ccc(cc1)O[*:1]
C=CCOc1ccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] C=CCOc1ccc(cc1)-c1nc2sc(=C[*:1])c(=O)n2n1
CC(C)OCC(=O)N1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 CC(C)[*:1] O=C(CO[*:1])N1CCN(CC1)c1nc(nc2CCCc21)-c1ccccc1
CC(C)OCC(=O)N1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 CC(C)O[*:1] O=C(C[*:1])N1CCN(CC1)c1nc(nc2CCCc21)-c1ccccc1
CC(C)OCC(=O)N1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 c1ccc(cc1)[*:1] CC(C)OCC(=O)N1CCN(CC1)c1nc(nc2CCCc21)[*:1]
CC(C)OCC(=O)N1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 CC(C)OC[*:1] O=C(N1CCN(CC1)c1nc(nc2CCCc21)-c1ccccc1)[*:1]
CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3C2=O)CC1 CCOC(=O)N1CCC(CC1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3C2=O)CC1 FC(F)(F)[*:1] CCOC(=O)N1CCC(CC1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1cccc(c1)[*:1]
CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3C2=O)CC1 FC(F)(F)c1cccc(c1)[*:1] CCOC(=O)N1CCC(CC1)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
Cc1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=Cc1ccc(OCC(=O)N[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)COc2ccc(C=O)cc2[*:1])c(Cl)c1
C[C@H]1CCC[C@H](NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)C1 O=C(C[*:1])N1CCCC1 C[C@H]1CCC[C@@H](C1)NC(=O)N1CCC(CC1)[*:1]
C[C@H]1CCC[C@H](NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)C1 O=C(N1CCCC1)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)N1CCC(CC1)C[*:1]
COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC#N N#CC[*:1] COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1O[*:1]
COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC#N N#CCO[*:1] COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1[*:1]
COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC#N Clc1cccc(c1)[*:1] COc1cc(/C=C/C(=O)[*:1])ccc1OCC#N
C[C@@H](CN(C)c1ncnc2c1c(Br)nn2C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CN(C)c1ncnc2c1c(Br)nn2C)[*:1]
COc1cc([C@@]2(C[NH2+]C3CC3)CC[C@H]2C)ccc1C C1CC1[*:1] COc1cc(ccc1C)[C@]1(CC[C@H]1C)C[NH2+][*:1]
CNC(=O)NCC(=O)N1CC[C@@H](C)CC[C@H]1C(C)C CNC(=O)N[*:1] CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)C[*:1]
CNC(=O)NCC(=O)N1CC[C@@H](C)CC[C@H]1C(C)C CC(C)[*:1] CNC(=O)NCC(=O)N1CC[C@@H](C)CC[C@@H]1[*:1]
CNC(=O)NCC(=O)N1CC[C@@H](C)CC[C@H]1C(C)C CNC(=O)NC[*:1] CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)[*:1]
Cc1ccc(NC(=S)N(Cc2ccccn2)C2CC2)c(C)c1 c1ccc(C[*:1])nc1 Cc1ccc(NC(=S)N(C2CC2)[*:1])c(C)c1
Cc1ccc(NC(=S)N(Cc2ccccn2)C2CC2)c(C)c1 c1ccc(nc1)[*:1] Cc1ccc(NC(=S)N(C[*:1])C2CC2)c(C)c1
Cc1ccc(NC(=S)N(Cc2ccccn2)C2CC2)c(C)c1 C1CC1[*:1] Cc1ccc(NC(=S)N(Cc2ccccn2)[*:1])c(C)c1
C[C@@](O)(CNC(=O)c1ccccn1)CSc1ccccc1 c1ccc(nc1)[*:1] C[C@@](O)(CNC(=O)[*:1])CSc1ccccc1
C[C@@](O)(CNC(=O)c1ccccn1)CSc1ccccc1 c1ccc(cc1)S[*:1] C[C@@](O)(CNC(=O)c1ccccn1)C[*:1]
C[C@@](O)(CNC(=O)c1ccccn1)CSc1ccccc1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)c1ccccn1)CS[*:1]
Cc1ccccc1CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 Cc1ccccc1[*:1] O=C(C[*:1])NC[C@@H]1CN(CCO1)Cc1ccccc1
Cc1ccccc1CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] Cc1ccccc1CC(=O)NC[C@@H]1CN(CCO1)C[*:1]
Cc1ccccc1CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] Cc1ccccc1CC(=O)NC[C@@H]1CN(CCO1)[*:1]
Cc1ccccc1CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 Cc1ccccc1C[*:1] O=C(NC[C@@H]1CN(CCO1)Cc1ccccc1)[*:1]
COc1nccnc1N1CC[C@@H](NC(=O)c2nn(C)c3ccccc23)C1 COc1nccnc1[*:1] Cn1nc(C(=O)N[C@@H]2CCN(C2)[*:1])c2ccccc21
O=C(CCc1ccccc1)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] O=C(CCc1ccccc1)NCCN1C(=O)SC(=C[*:1])C1=O
O=C(CCc1ccccc1)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O c1ccc(cc1)[*:1] O=C(CC[*:1])NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O
O=C(CCc1ccccc1)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O c1ccc(cc1)CC[*:1] O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CCNC(=O)[*:1]
O=C(CCc1ccccc1)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O c1ccc(cc1)C[*:1] O=C(C[*:1])NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O
COc1cc(/C=C/[N+](=O)[O-])c2c(c1Br)CCCO2 O=[N+]([O-])[*:1] COc1cc(C=C[*:1])c2OCCCc2c1Br
COc1cc(/C=C/[N+](=O)[O-])c2c(c1Br)CCCO2 O=[N+]([O-])C=C[*:1] COc1cc(c2OCCCc2c1Br)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1nc(-c2ccco2)sc1C c1coc(c1)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1nc(sc1C)[*:1]
O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1cccc(Br)n1 C1CCC(CC1)[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])c1cccc(Br)n1
O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1cccc(Br)n1 Brc1cccc(n1)[*:1] O=C1[C@H](CCN1C1CCCCC1)NC(=O)[*:1]
Cc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1N O=C([O-])[*:1] Cc1ccc(cc1N)C(=O)N[C@H]1CCCCC[C@@H]1[*:1]
CSCCc1ccc(NC(=O)NCc2ccc(-n3cccn3)cc2)cc1 CSC[*:1] O=C(NCc1ccc(cc1)-n1cccn1)Nc1ccc(cc1)C[*:1]
CSCCc1ccc(NC(=O)NCc2ccc(-n3cccn3)cc2)cc1 CSCC[*:1] O=C(NCc1ccc(cc1)-n1cccn1)Nc1ccc(cc1)[*:1]
CSCCc1ccc(NC(=O)NCc2ccc(-n3cccn3)cc2)cc1 c1cnn(c1)[*:1] CSCCc1ccc(cc1)NC(=O)NCc1ccc(cc1)[*:1]
CC(C)C[C@H](NC(=O)C(=O)Nc1cccc([S@@](C)=O)c1)c1ccccc1 CC(C)[*:1] C[S@@](=O)c1cccc(c1)NC(=O)C(=O)N[C@@H](C[*:1])c1ccccc1
CC(C)C[C@H](NC(=O)C(=O)Nc1cccc([S@@](C)=O)c1)c1ccccc1 CC(C)C[*:1] C[S@@](=O)c1cccc(c1)NC(=O)C(=O)N[C@H](c1ccccc1)[*:1]
CC(C)C[C@H](NC(=O)C(=O)Nc1cccc([S@@](C)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(c1)[S@@](C)=O)[*:1]
CC(C)C[C@H](NC(=O)C(=O)Nc1cccc([S@@](C)=O)c1)c1ccccc1 C[S@@](=O)[*:1] CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(c1)[*:1])c1ccccc1
COc1ccc(S(=O)(=O)C(F)(F)F)cc1N FC(F)(F)[*:1] COc1ccc(cc1N)S(=O)(=O)[*:1]
COc1cc(C)c(C[NH2+]Cc2cc(C(C)C)no2)cc1OC CC(C)[*:1] COc1cc(C)c(cc1OC)C[NH2+]Cc1cc(no1)[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1cc2OCOc2cc1[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1
CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] CN(Cc1ccc2OCOc2c1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CN(Cc1ccc2OCOc2c1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] CN(Cc1ccc2OCOc2c1)C(=O)[C@H]1CC(=O)N(CC[*:1])C1
COc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccc(F)cc2)c1 Fc1ccc(cc1)C[*:1] COc1cccc(c1)C(=O)N[C@@H](C)c1nc2ccccc2n1[*:1]
COc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccc(F)cc2)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2n1Cc1ccc(F)cc1
COc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N[C@@H](C)c1nc2ccccc2n1C[*:1]
CCNC(=O)CNC(=O)c1cccc(OC)c1F CCNC(=O)[*:1] COc1cccc(C(=O)NC[*:1])c1F
CCNC(=O)CNC(=O)c1cccc(OC)c1F CCNC(=O)C[*:1] COc1cccc(C(=O)N[*:1])c1F
Cc1ccc(C)c(NC(=O)CSc2cc(-c3ccccn3)nc(C)n2)c1 Cc1ccc(C)c(c1)[*:1] Cc1nc(cc(n1)-c1ccccn1)SCC(=O)N[*:1]
Cc1ccc(C)c(NC(=O)CSc2cc(-c3ccccn3)nc(C)n2)c1 c1ccc(nc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1cc(nc(C)n1)[*:1]
Cc1cccc(N2CCN(C(=O)C[NH+](C)CCO)CC2)c1 Cc1cccc(c1)[*:1] C[NH+](CCO)CC(=O)N1CCN(CC1)[*:1]
CCC[C@H](NC(=O)CSc1ncn[nH]1)c1ccccc1 CCC[*:1] O=C(CSc1ncn[nH]1)N[C@H](c1ccccc1)[*:1]
CCC[C@H](NC(=O)CSc1ncn[nH]1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](NC(=O)CSc1ncn[nH]1)[*:1]
CCC[C@H](NC(=O)CSc1ncn[nH]1)c1ccccc1 c1n[nH]c(n1)S[*:1] CCC[C@H](NC(=O)C[*:1])c1ccccc1
CCC[C@H](NC(=O)CSc1ncn[nH]1)c1ccccc1 c1n[nH]c(n1)[*:1] CCC[C@H](NC(=O)CS[*:1])c1ccccc1
Cc1cc(N2CCC[C@H]2c2cc(CCC(N)=O)nc(C)n2)ncn1 Cc1cc(ncn1)[*:1] Cc1nc(cc(n1)[C@@H]1CCCN1[*:1])CCC(N)=O
Cc1cc(N2CCC[C@H]2c2cc(CCC(N)=O)nc(C)n2)ncn1 NC(=O)[*:1] Cc1cc(ncn1)N1CCC[C@H]1c1cc(CC[*:1])nc(C)n1
Cc1cc(N2CCC[C@H]2c2cc(CCC(N)=O)nc(C)n2)ncn1 NC(=O)C[*:1] Cc1cc(ncn1)N1CCC[C@H]1c1cc(C[*:1])nc(C)n1
Cc1cc(N2CCC[C@H]2c2cc(CCC(N)=O)nc(C)n2)ncn1 NC(=O)CC[*:1] Cc1cc(ncn1)N1CCC[C@H]1c1cc(nc(C)n1)[*:1]
CO[C@H]1C[NH2+]C[C@@H]1Nc1cc(C)c([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CO[C@H]1C[NH2+]C[C@@H]1Nc1cc(C)c(cn1)[*:1]
COC(=O)C[C@H](C)[S@](=O)[C@H](C)c1nc(-c2ccccc2C)no1 Cc1ccccc1[*:1] COC(=O)C[C@H](C)[S@](=O)[C@H](C)c1nc(no1)[*:1]
COC(=O)C[C@H](C)[S@](=O)[C@H](C)c1nc(-c2ccccc2C)no1 COC(=O)[*:1] Cc1ccccc1-c1noc(n1)[C@@H](C)[S@@](=O)[C@@H](C)C[*:1]
COC(=O)C[C@H](C)[S@](=O)[C@H](C)c1nc(-c2ccccc2C)no1 COC(=O)C[*:1] Cc1ccccc1-c1noc(n1)[C@@H](C)[S@@](=O)[C@@H](C)[*:1]
COC(=O)C[C@H](C)[S@](=O)[C@H](C)c1nc(-c2ccccc2C)no1 COC(=O)C[C@H](C)[*:1] Cc1ccccc1-c1noc(n1)[C@@H](C)[S@@](=O)[*:1]
CCc1ccc(C2=CCN(C(=O)NC[C@H](C)CC3(C)OCCO3)CC2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N1CC=C(CC1)[*:1])CC1(C)OCCO1
CCc1ccc(C2=CCN(C(=O)NC[C@H](C)CC3(C)OCCO3)CC2)cc1 CC1(OCCO1)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)NC[C@H](C)C[*:1]
O=C(NCc1nc(-c2ccco2)n[nH]1)N1CCOC[C@H]1C1CC1 c1coc(c1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])N1CCOC[C@H]1C1CC1
O=C(NCc1nc(-c2ccco2)n[nH]1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(NCc1nc(n[nH]1)-c1ccco1)N1CCOC[C@@H]1[*:1]
CN(C)c1nnc(S[C@H]2CCC[C@@]([NH3+])(CO)C2)s1 CN(C)[*:1] [NH3+][C@@]1(CO)CCC[C@@H](C1)Sc1nnc(s1)[*:1]
CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3C)CC2)c1 CC(=O)c1cccc(c1)[*:1] Cc1nc(no1)-c1ccc(C)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3C)CC2)c1 Cc1nc(no1)[*:1] CC(=O)c1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)c1cc(ccc1C)[*:1]
CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3C)CC2)c1 CC(=O)[*:1] Cc1nc(no1)-c1ccc(C)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
COC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1[C@H](C)C(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1[C@H](C)C(=O)[*:1]
COC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1[C@H](C)C(=O)c1ccc(C)cc1 Cc1ccc(cc1)C(=O)[*:1] COC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1[C@H](C)[*:1]
COC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1[C@H](C)C(=O)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)C(=O)[C@@H](C)[C@H]1c2cc(Br)ccc2OC(=O)[C@@H]1[*:1]
CCCCSc1nc2n(n1)[C@@H](c1sccc1C)C(C(=O)OC)=C(C)N2 CCCCS[*:1] COC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1sccc1C)[*:1]
CCCCSc1nc2n(n1)[C@@H](c1sccc1C)C(C(=O)OC)=C(C)N2 CCCC[*:1] COC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1sccc1C)S[*:1]
CCCCSc1nc2n(n1)[C@@H](c1sccc1C)C(C(=O)OC)=C(C)N2 COC(=O)[*:1] CCCCSc1nc2NC(C)=C([C@H](c3sccc3C)n2n1)[*:1]
CCCCSc1nc2n(n1)[C@@H](c1sccc1C)C(C(=O)OC)=C(C)N2 Cc1ccsc1[*:1] CCCCSc1nc2NC(C)=C(C(=O)OC)[C@H](n2n1)[*:1]
CCCCSc1nc2n(n1)[C@@H](c1sccc1C)C(C(=O)OC)=C(C)N2 CCC[*:1] COC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1sccc1C)SC[*:1]
CC(=O)Nc1cc(C(=O)NCc2ccncc2)nn1-c1ccccc1 c1cc(ccn1)[*:1] CC(=O)Nc1cc(nn1-c1ccccc1)C(=O)NC[*:1]
CC(=O)Nc1cc(C(=O)NCc2ccncc2)nn1-c1ccccc1 c1cc(ccn1)C[*:1] CC(=O)Nc1cc(nn1-c1ccccc1)C(=O)N[*:1]
CC(=O)Nc1cc(C(=O)NCc2ccncc2)nn1-c1ccccc1 CC(=O)N[*:1] O=C(NCc1ccncc1)c1cc(n(n1)-c1ccccc1)[*:1]
CC(=O)Nc1cc(C(=O)NCc2ccncc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)Nc1cc(nn1[*:1])C(=O)NCc1ccncc1
COc1ccc(CCC(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1N1CCCCC1=O)NC(=O)CC[*:1]
COc1ccc(CCC(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1N1CCCCC1=O)NC(=O)C[*:1]
COc1ccc(CCC(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 O=C1CCCCN1[*:1] COc1ccc(cc1)CCC(=O)Nc1ccc(C)c(c1)[*:1]
Cn1c(SCC(=O)N2CCC[C@@H](C(F)(F)F)C2)nnc1C1CC1 C1CC1[*:1] Cn1c(nnc1[*:1])SCC(=O)N1CCC[C@H](C1)C(F)(F)F
Cn1c(SCC(=O)N2CCC[C@@H](C(F)(F)F)C2)nnc1C1CC1 FC(F)(F)[*:1] Cn1c(nnc1C1CC1)SCC(=O)N1CCC[C@@H](C1)[*:1]
CCc1nn(-c2cccc(C(F)(F)F)c2)c(CC)c1C[NH3+] FC(F)(F)[*:1] CCc1nn(-c2cccc(c2)[*:1])c(CC)c1C[NH3+]
O=C(CNC(=O)N1CCC(c2nc3ccccc3o2)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(NC[*:1])N1CCC(CC1)c1nc2ccccc2o1
O=C(CNC(=O)N1CCC(c2nc3ccccc3o2)CC1)N1CCCCC1 O=C(C[*:1])N1CCCCC1 O=C(N[*:1])N1CCC(CC1)c1nc2ccccc2o1
O=C(CNC(=O)N1CCC(c2nc3ccccc3o2)CC1)N1CCCCC1 c1ccc2oc(nc2c1)[*:1] O=C(CNC(=O)N1CCC(CC1)[*:1])N1CCCCC1
Cc1ccc(Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1nc(ccc1=O)[*:1]
Cc1ccc(Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 Cc1ccc(cc1)[*:1] O=c1ccc(nn1C[*:1])-c1ccc(Br)cc1
O=[N+]([O-])c1cc2c(cc1-c1ccc(/C=C3\SC(=S)N=C3[O-])o1)OCO2 O=[N+]([O-])[*:1] [O-]C1=NC(=S)S/C1=C\c1ccc(o1)-c1cc2OCOc2cc1[*:1]
O=C(NCc1ccco1)C1CCN(C(=O)N2CCOc3ccc(Cl)cc32)CC1 O=C(NCc1ccco1)[*:1] O=C(N1CCC(CC1)[*:1])N1CCOc2ccc(Cl)cc21
O=C(NCc1ccco1)C1CCN(C(=O)N2CCOc3ccc(Cl)cc32)CC1 c1coc(c1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)N1CCOc2ccc(Cl)cc21
O=C(NCc1ccco1)C1CCN(C(=O)N2CCOc3ccc(Cl)cc32)CC1 c1coc(c1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)N1CCOc2ccc(Cl)cc21
CC(C)C[C@H](O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)C[C@H](O)c1ccc(cc1)[*:1]
CC(C)C[C@H](O)c1ccc(C(F)(F)F)cc1 CC(C)[*:1] O[C@@H](C[*:1])c1ccc(cc1)C(F)(F)F
CC(C)C[C@H](O)c1ccc(C(F)(F)F)cc1 CC(C)C[*:1] O[C@H](c1ccc(cc1)C(F)(F)F)[*:1]
C[C@@H](O)CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 C[C@@H](O)[*:1] Clc1ccc(cc1Cl)[C@H]([NH2+]CC[*:1])C1CC1
C[C@@H](O)CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 C1CC1[*:1] C[C@@H](O)CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[*:1]
C[C@@H](O)CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 C[C@@H](O)C[*:1] Clc1ccc(cc1Cl)[C@H]([NH2+]C[*:1])C1CC1
O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)c1cc(Cl)ccc1Cl c1csc(c1)[*:1] O=C(NCC[C@H]1CCCCN1S(=O)(=O)[*:1])c1cc(Cl)ccc1Cl
O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)[*:1]
CC(C)N(CCC#N)Cc1cc(N)cc[nH+]1 N#CCC[*:1] CC(C)N(Cc1cc(N)cc[nH+]1)[*:1]
CC(C)N(CCC#N)Cc1cc(N)cc[nH+]1 N#CC[*:1] CC(C)N(Cc1cc(N)cc[nH+]1)C[*:1]
CC(C)N(CCC#N)Cc1cc(N)cc[nH+]1 CC(C)[*:1] N#CCCN(Cc1cc(N)cc[nH+]1)[*:1]
Cc1ccc(CC(=O)NNC(=O)CCSc2ccc(F)cc2)cc1O Fc1ccc(cc1)S[*:1] Cc1ccc(cc1O)CC(=O)NNC(=O)CC[*:1]
Cc1ccc(CC(=O)NNC(=O)CCSc2ccc(F)cc2)cc1O Fc1ccc(cc1)[*:1] Cc1ccc(cc1O)CC(=O)NNC(=O)CCS[*:1]
Cc1ccc(CC(=O)NNC(=O)CCSc2ccc(F)cc2)cc1O Cc1ccc(cc1O)[*:1] O=C(CCSc1ccc(F)cc1)NNC(=O)C[*:1]
O=C1CCCN1C1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)CC1 O=C1CCCN1[*:1] Fc1cccc(F)c1-c1ccc(C[NH+]2CCC(CC2)[*:1])o1
O=C1CCCN1C1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)CC1 Fc1cccc(F)c1[*:1] O=C1CCCN1C1CC[NH+](CC1)Cc1ccc(o1)[*:1]
COc1cccc(NC(=O)[C@H]2CCCN(c3nc4ccc(C)cc4s3)C2)c1 COc1cccc(c1)[*:1] Cc1ccc2nc(sc2c1)N1CCC[C@@H](C1)C(=O)N[*:1]
CC(C)Cn1cc[nH+]c1CNC(=O)Nc1nc(-c2ccccc2)ns1 CC(C)C[*:1] O=C(NCc1[nH+]ccn1[*:1])Nc1nc(ns1)-c1ccccc1
CC(C)Cn1cc[nH+]c1CNC(=O)Nc1nc(-c2ccccc2)ns1 CC(C)[*:1] O=C(NCc1[nH+]ccn1C[*:1])Nc1nc(ns1)-c1ccccc1
CC(C)Cn1cc[nH+]c1CNC(=O)Nc1nc(-c2ccccc2)ns1 c1ccc(cc1)[*:1] CC(C)Cn1cc[nH+]c1CNC(=O)Nc1nc(ns1)[*:1]
CON(C)C(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 CON(C)C(=O)[C@@H](C)[*:1] O=C1N[C@@]2(CCC(=O)N(CC2)[*:1])Nc2ncccc21
CON(C)C(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 CON(C)C(=O)[*:1] C[C@@H](N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)[*:1]
CN(C)C(=O)CSc1ccccc1C(=O)OCc1cccc(F)c1 CN(C)C(=O)CS[*:1] O=C(OCc1cccc(F)c1)c1ccccc1[*:1]
CN(C)C(=O)CSc1ccccc1C(=O)OCc1cccc(F)c1 Fc1cccc(c1)[*:1] CN(C)C(=O)CSc1ccccc1C(=O)OC[*:1]
CN(C)C(=O)CSc1ccccc1C(=O)OCc1cccc(F)c1 Fc1cccc(c1)C[*:1] CN(C)C(=O)CSc1ccccc1C(=O)O[*:1]
CN(C)C(=O)CSc1ccccc1C(=O)OCc1cccc(F)c1 CN(C)C(=O)C[*:1] O=C(OCc1cccc(F)c1)c1ccccc1S[*:1]
CN(C)C(=O)CSc1ccccc1C(=O)OCc1cccc(F)c1 CN(C)C(=O)[*:1] O=C(OCc1cccc(F)c1)c1ccccc1SC[*:1]
Nc1c(Br)cc(F)cc1C(F)(F)F FC(F)(F)[*:1] Nc1c(Br)cc(F)cc1[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 O=[N+]([O-])c1cccc(c1)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(n[nH]1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 O=[N+]([O-])[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(n[nH]1)-c1cccc(c1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 Clc1ccc(cc1)O[*:1] CC(C)(C(=O)Nc1cc(n[nH]1)-c1cccc(c1)[N+](=O)[O-])[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)Nc1cc(n[nH]1)-c1cccc(c1)[N+](=O)[O-]
COc1ccc(C2(C(=O)NCC3([NH+]4CCCCC4)CCOCC3)CCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[NH+]1CCCCC1)C1(CCCCC1)[*:1]
CCNc1nc2c(s1)[C@H](c1cc(OC)c3c(c1)OCO3)CC(=O)N2 CCN[*:1] COc1cc(cc2OCOc12)[C@@H]1CC(=O)Nc2nc(sc21)[*:1]
CC(C)(C)OC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccsc2)cc1 c1cc(cs1)[*:1] CC(C)(C)OC(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[*:1]
CC(C)(C)OC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccsc2)cc1 CC(C)(C)[*:1] O=C(NC[C@@H](O)c1ccsc1)c1ccc(cc1)C(=O)O[*:1]
CC(C)(C)OC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccsc2)cc1 CC(C)(C)OC(=O)[*:1] O=C(NC[C@@H](O)c1ccsc1)c1ccc(cc1)[*:1]
Cc1cccc(OCC(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)c1 CC(C)[*:1] Cc1cccc(c1)OCC(=O)Nc1ccc2sc(nc2c1)NC(=O)[*:1]
Cc1cccc(OCC(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)c1 Cc1cccc(c1)[*:1] CC(C)C(=O)Nc1nc2cc(ccc2s1)NC(=O)CO[*:1]
Cc1cccc(OCC(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)c1 CC(C)C(=O)N[*:1] Cc1cccc(c1)OCC(=O)Nc1ccc2sc(nc2c1)[*:1]
Cc1cccc(OCC(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)c1 Cc1cccc(c1)O[*:1] CC(C)C(=O)Nc1nc2cc(ccc2s1)NC(=O)C[*:1]
Cc1cccc(OCC(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)c1 Cc1cccc(c1)OC[*:1] CC(C)C(=O)Nc1nc2cc(ccc2s1)NC(=O)[*:1]
C[C@@H](NC(=O)CSc1nc(-c2ccco2)n[nH]1)c1cc2ccccc2o1 c1coc(c1)[*:1] C[C@@H](NC(=O)CSc1nc(n[nH]1)[*:1])c1cc2ccccc2o1
C[C@H](SCc1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] O=C([O-])[*:1] C[C@H](SCc1c(F)c(F)c(F)c(F)c1F)[*:1]
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CCc2ccccc21 CC(C)[*:1] O=C(NCc1ccccc1)N[C@@H](C(=O)N1CCc2ccccc21)[*:1]
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CCc2ccccc21 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)NC[*:1])C(=O)N1CCc2ccccc21
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CCc2ccccc21 c1ccc(cc1)C[*:1] CC(C)[C@@H](NC(=O)N[*:1])C(=O)N1CCc2ccccc21
O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(o1)[*:1]
O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(o1)-c1ccc(cc1)[*:1]
Cc1cc(C)cc(N(Cc2ccccc2F)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 Fc1ccccc1C[*:1] Cc1cc(C)cc(c1)N(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)[*:1]
Cc1cc(C)cc(N(Cc2ccccc2F)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 Fc1ccccc1[*:1] Cc1cc(C)cc(c1)N(C[*:1])C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1
Cc1cc(C)cc(N(Cc2ccccc2F)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 Cc1cc(C)cc(c1)[*:1] O=S1(=O)C[C@H]2SC(=N[C@@H]2C1)N(Cc1ccccc1F)[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)c1cc(C)n(C)n1 Cc1ccccc1[*:1] Cc1cc(nn1C)C(=O)NC[C@H](C)O[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)c1cc(C)n(C)n1 Cc1cc(nn1C)[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)cc2C1 O=C(NCC1CC1)[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)N1CCC[C@@H](C1)[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)cc2C1 C1CC1C[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)cc2C1 C1CC1[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)cc2C1 CC(C)(C)[*:1] O=C(NCC1CC1)[C@@H]1CCCN(C1)C(=O)c1cc2C[C@@H](CCc2s1)[*:1]
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCn1nc(C)c(Cl)c1C O=C([O-])[*:1] C[NH2+][C@@]1(CCC[C@@H]1CCn1nc(C)c(Cl)c1C)[*:1]
CC[C@@H]([NH2+]CCn1cc(C)cn1)c1cccc(Cl)c1 Cc1cnn(c1)[*:1] CC[C@@H]([NH2+]CC[*:1])c1cccc(Cl)c1
CC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1cccc2ccccc12 CC(C)(C)NC(=O)C[*:1] O=C(c1csnn1)N(c1cccc2ccccc12)[*:1]
CC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1cccc2ccccc12 CC(C)(C)[*:1] O=C(CN(C(=O)c1csnn1)c1cccc2ccccc12)N[*:1]
CC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1cccc2ccccc12 c1snnc1[*:1] CC(C)(C)NC(=O)CN(C(=O)[*:1])c1cccc2ccccc12
CC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1cccc2ccccc12 CC(C)(C)NC(=O)[*:1] O=C(c1csnn1)N(C[*:1])c1cccc2ccccc12
CN(CCCNS(=O)(=O)c1cn(C)cn1)c1ccccc1F Cn1cnc(c1)[*:1] CN(CCCNS(=O)(=O)[*:1])c1ccccc1F
CN(CCCNS(=O)(=O)c1cn(C)cn1)c1ccccc1F Fc1ccccc1[*:1] CN(CCCNS(=O)(=O)c1cn(C)cn1)[*:1]
Cc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cccc(C(=O)Nc2nc(cs2)[*:1])c1[N+](=O)[O-]
Cc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C(=O)Nc2nc(cs2)-c2ccccc2)c1[*:1]
CC1=C2C(=O)N=C([C@@H](C)S[C@@H]3N=CCN3C3CC3)N=C2S[C@H]1C C1CC1[*:1] CC1=C2C(=O)N=C(N=C2S[C@H]1C)[C@@H](C)S[C@@H]1N=CCN1[*:1]
CN(C)c1ccccc1NC(=O)CC[C@@H]1NC(=O)NC1=O CN(C)[*:1] O=C(CC[C@@H]1NC(=O)NC1=O)Nc1ccccc1[*:1]
O=C(NCc1ccccc1Cl)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 Clc1ccccc1[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1ncnc2[nH]cnc12
O=C(NCc1ccccc1Cl)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 Clc1ccccc1C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ncnc2[nH]cnc12
C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(SCC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(cc1)SC[*:1]
C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(SCC(F)(F)F)cc1 FC(F)(F)CS[*:1] C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(cc1)[*:1]
C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(SCC(F)(F)F)cc1 Cn1cnc(n1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(cc1)SCC(F)(F)F
C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(SCC(F)(F)F)cc1 FC(F)(F)C[*:1] C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(cc1)S[*:1]
CCC[C@@H]1CN(C(=O)c2cnc(-c3cccs3)s2)CCO1 c1csc(c1)[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1cnc(s1)[*:1]
CCC[C@@H]1CN(C(=O)c2cnc(-c3cccs3)s2)CCO1 CCC[*:1] O=C(c1cnc(s1)-c1cccs1)N1CCO[C@@H](C1)[*:1]
COc1ccc(CNC(=O)c2ccc(Nc3nn4c(=O)c5ccccc5nc4s3)cc2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(cc1)Nc1nn2c(=O)c3ccccc3nc2s1
COc1ccc(CNC(=O)c2ccc(Nc3nn4c(=O)c5ccccc5nc4s3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(cc1)Nc1nn2c(=O)c3ccccc3nc2s1
C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H](C1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](C1)C[*:1]
C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)N1CCC[C@H](CN2CCOCC2)C1
C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)N1CCC[C@H](CN2CCOCC2)C1
C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)[*:1]
C/C(=N/NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cccc(C(F)(F)F)c1 NS(=O)(=O)[*:1] C/C(=N/NC(=O)c1ccc(Cl)c(c1)[*:1])c1cccc(c1)C(F)(F)F
C/C(=N/NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C/C(=N/NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)c1cccc(c1)[*:1]
COc1ccc(C2=NC(C(=O)NC3CC3)=CC3=c4ccccc4=[NH+][C@H]23)cc1 C1CC1[*:1] COc1ccc(cc1)C1=NC(=CC2=c3ccccc3=[NH+][C@H]12)C(=O)N[*:1]
COc1ccc(C2=NC(C(=O)NC3CC3)=CC3=c4ccccc4=[NH+][C@H]23)cc1 COc1ccc(cc1)[*:1] O=C(NC1CC1)C1=CC2=c3ccccc3=[NH+][C@@H]2C(=N1)[*:1]
COc1ccc(C2=NC(C(=O)NC3CC3)=CC3=c4ccccc4=[NH+][C@H]23)cc1 O=C(NC1CC1)[*:1] COc1ccc(cc1)C1=NC(=CC2=c3ccccc3=[NH+][C@H]12)[*:1]
CC(C)(C)c1ccc(=O)n(CN2CCO[C@@H](c3ccccc3F)C2)n1 Fc1ccccc1[*:1] CC(C)(C)c1ccc(=O)n(CN2CCO[C@@H](C2)[*:1])n1
CC(C)(C)c1ccc(=O)n(CN2CCO[C@@H](c3ccccc3F)C2)n1 CC(C)(C)[*:1] O=c1ccc(nn1CN1CCO[C@H](C1)c1ccccc1F)[*:1]
CCOC(=O)C1(C)CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCOC(=O)C1(C)CCN(CC1)c1cc(C)ccc1[*:1]
CCOC(=O)C1(C)CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 CCOC(=O)[*:1] Cc1ccc(c(c1)N1CCC(C)(CC1)[*:1])[N+](=O)[O-]
O=C(C[C@H]1CCCO1)N1CCN(C(=O)c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(C[C@H]1CCCO1)N1CCN(CC1)C(=O)[*:1]
NC(=O)C1CCN(C(=O)[C@H]2CC(c3ccccc3O)=NO2)CC1 NC(=O)[*:1] O=C([C@H]1CC(=NO1)c1ccccc1O)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)[C@H]2CC(c3ccccc3O)=NO2)CC1 Oc1ccccc1[*:1] NC(=O)C1CCN(CC1)C(=O)[C@H]1CC(=NO1)[*:1]
CCC(=O)N1CCC([NH2+]CC2(c3ccc(F)cc3)CCC2)CC1 Fc1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)[NH2+]CC1(CCC1)[*:1]
O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1c[nH]c(=S)n1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(c1)NC(=O)C1CCCCC1)c1c[nH]c(=S)n1[*:1]
O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1c[nH]c(=S)n1-c1ccccc1 C1CCC(CC1)[*:1] O=C(Nc1ccc(F)c(c1)NC(=O)[*:1])c1c[nH]c(=S)n1-c1ccccc1
O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1c[nH]c(=S)n1-c1ccccc1 O=C(N[*:1])C1CCCCC1 O=C(Nc1ccc(F)c(c1)[*:1])c1c[nH]c(=S)n1-c1ccccc1
CCC(=O)Nc1cccc([N-]S(=O)(=O)c2cnn(CC)c2)c1 CCC(=O)N[*:1] CCn1cc(cn1)S(=O)(=O)[N-]c1cccc(c1)[*:1]
CCC(=O)Nc1cccc([N-]S(=O)(=O)c2cnn(CC)c2)c1 CCn1cc(cn1)[*:1] CCC(=O)Nc1cccc(c1)[N-]S(=O)(=O)[*:1]
CC(C)(C)CNC(=O)NCCc1c[nH]c2ccccc12 CC(C)(C)C[*:1] O=C(NCCc1c[nH]c2ccccc12)N[*:1]
CC(C)(C)CNC(=O)NCCc1c[nH]c2ccccc12 CC(C)(C)[*:1] O=C(NCCc1c[nH]c2ccccc12)NC[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC[C@@H](O)C1 Cc1noc(C)c1C[*:1] O=C(c1cccnc1S[*:1])N1CCC[C@@H](O)C1
Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC[C@@H](O)C1 Cc1noc(C)c1[*:1] O=C(c1cccnc1SC[*:1])N1CCC[C@@H](O)C1
Cc1nn(CC(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)S[*:1] Cc1nn(CC(=O)Nc2ccccc2[*:1])c(=O)c2ccccc12
Cc1nn(CC(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] Cc1nn(CC(=O)Nc2ccccc2S[*:1])c(=O)c2ccccc12
CC[C@@H](C)C(=O)NCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 CC[C@@H](C)[*:1] O=C(CNC(=O)[*:1])Nc1ccc(cc1)C[NH+]1CCCC1
CC[C@@H](C)C(=O)NCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 CC[C@@H](C)C(=O)N[*:1] O=C(C[*:1])Nc1ccc(cc1)C[NH+]1CCCC1
CCc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1 CCc1ccc(cc1)[*:1] Cc1nn(-c2ccc(Cl)nn2)c2N=C(O)C[C@@H](c12)[*:1]
CCc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1 Clc1ccc(nn1)[*:1] CCc1ccc(cc1)[C@H]1CC(O)=Nc2c1c(C)nn2[*:1]
CCCS(=O)(=O)Nc1cccc(OCC[NH3+])c1 CCC[*:1] [NH3+]CCOc1cccc(c1)NS(=O)(=O)[*:1]
CCCS(=O)(=O)Nc1cccc(OCC[NH3+])c1 [NH3+]CC[*:1] CCCS(=O)(=O)Nc1cccc(c1)O[*:1]
CCCS(=O)(=O)Nc1cccc(OCC[NH3+])c1 [NH3+]CCO[*:1] CCCS(=O)(=O)Nc1cccc(c1)[*:1]
O=[N+]([O-])c1ccc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc1 O=[N+]([O-])[*:1] O[C@@H]1CO[C@@H](Nc2ccc(cc2)[*:1])[C@H](O)[C@@H]1O
O=C(COc1ccccc1F)Nc1cccc(-c2cn[nH]c2)c1 Fc1ccccc1[*:1] O=C(CO[*:1])Nc1cccc(c1)-c1cn[nH]c1
O=C(COc1ccccc1F)Nc1cccc(-c2cn[nH]c2)c1 c1n[nH]cc1[*:1] O=C(COc1ccccc1F)Nc1cccc(c1)[*:1]
Cc1ccc(NC(=O)c2cnc(Cc3ccccc3)s2)c(C[NH+](C)C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)c2cnc(C[*:1])s2)c(c1)C[NH+](C)C
Cc1ccc(NC(=O)c2cnc(Cc3ccccc3)s2)c(C[NH+](C)C)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)c2cnc(s2)[*:1])c(c1)C[NH+](C)C
CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 Cc1ccc(cc1)S[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[C@@H](C)[*:1]
CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 CCOC(=O)[*:1] Cc1ccc(cc1)S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[C@@H](C)S[*:1]
Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] Cc1ccccc1NS(=O)(=O)c1ccc(C)c(c1)C(=O)N[*:1]
Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C#N)c2)c1 Cc1ccccc1[*:1] Cc1ccc(cc1C(=O)Nc1cccc(C#N)c1)S(=O)(=O)N[*:1]
CC/C(=C\c1c[nH]c2ncccc12)C[NH2+]C(C)C CC(C)[*:1] CC/C(=C\c1c[nH]c2ncccc12)C[NH2+][*:1]
CCN(C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1)C1CC1 C1CC1[*:1] CCN(C(=O)Nc1ccc(cc1)C(=O)N(C)C1CCOCC1)[*:1]
CCN(C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1)C1CC1 C1CC(CCO1)[*:1] CCN(C(=O)Nc1ccc(cc1)C(=O)N(C)[*:1])C1CC1
CCS(=O)(=O)CCN(C)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CCS(=O)(=O)[*:1] CN(CC[*:1])C(=O)Nc1ccc2[nH]c(nc2c1)C(F)F
CCS(=O)(=O)CCN(C)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] CCS(=O)(=O)CCN(C)C(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CCS(=O)(=O)C[*:1] CN(C[*:1])C(=O)Nc1ccc2[nH]c(nc2c1)C(F)F
CCS(=O)(=O)CCN(C)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CCS(=O)(=O)CC[*:1] CN(C(=O)Nc1ccc2[nH]c(nc2c1)C(F)F)[*:1]
Cc1c(C[NH+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cnn1C Cc1c(cnn1C)[*:1] O=c1[nH]c(nc2CC[NH+](Cc21)C[*:1])-c1ccccn1
Cc1c(C[NH+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cnn1C c1ccc(nc1)[*:1] Cc1c(cnn1C)C[NH+]1CCc2nc([nH]c(=O)c2C1)[*:1]
Cc1c(C[NH+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cnn1C Cc1c(cnn1C)C[*:1] O=c1[nH]c(nc2CC[NH+](Cc21)[*:1])-c1ccccn1
COCCN1CCC[C@@]2(CCN(c3[nH+]c4c(C)cccc4cc3CO)C2)C1=O COCC[*:1] Cc1cccc2cc(CO)c([nH+]c12)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
COCCN1CCC[C@@]2(CCN(c3[nH+]c4c(C)cccc4cc3CO)C2)C1=O COC[*:1] Cc1cccc2cc(CO)c([nH+]c12)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
CCOc1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)cc1 CN(C)C(=O)O[*:1] CCOc1ccc(/C=C2\Oc3cc(ccc3C2=O)[*:1])cc1
CCOc1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)cc1 CCO[*:1] CN(C)C(=O)Oc1ccc2C(=O)/C(=C/c3ccc(cc3)[*:1])Oc2c1
CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(C#N)c(C)n1 COC(=O)C[*:1] CC[C@@H](c1ccccc1)N(C(=O)c1ccc(C#N)c(C)n1)[*:1]
CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(C#N)c(C)n1 COC(=O)[*:1] CC[C@@H](c1ccccc1)N(C[*:1])C(=O)c1ccc(C#N)c(C)n1
CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(C#N)c(C)n1 c1ccc(cc1)[*:1] CC[C@@H](N(CC(=O)OC)C(=O)c1ccc(C#N)c(C)n1)[*:1]
COC(=O)[C@@H](NC(=O)c1cc(-c2cccs2)n[nH]1)C(C)C CC(C)[*:1] COC(=O)[C@@H](NC(=O)c1cc(n[nH]1)-c1cccs1)[*:1]
COC(=O)[C@@H](NC(=O)c1cc(-c2cccs2)n[nH]1)C(C)C c1csc(c1)[*:1] COC(=O)[C@@H](NC(=O)c1cc(n[nH]1)[*:1])C(C)C
COC(=O)[C@@H](NC(=O)c1cc(-c2cccs2)n[nH]1)C(C)C COC(=O)[*:1] CC(C)[C@H](NC(=O)c1cc(n[nH]1)-c1cccs1)[*:1]
O=C(CSc1ccncc1)N1CCc2ccccc2C1 c1cc(ccn1)[*:1] O=C(CS[*:1])N1CCc2ccccc2C1
Cc1cc([C@H]([NH3+])CCCC(N)=O)ccc1F NC(=O)C[*:1] Cc1cc(ccc1F)[C@H]([NH3+])CC[*:1]
Cc1cc([C@H]([NH3+])CCCC(N)=O)ccc1F NC(=O)CC[*:1] Cc1cc(ccc1F)[C@H]([NH3+])C[*:1]
Cc1cc([C@H]([NH3+])CCCC(N)=O)ccc1F NC(=O)[*:1] Cc1cc(ccc1F)[C@H]([NH3+])CCC[*:1]
Cc1ccc([C@H](CC(=O)[O-])NC(=O)C(F)(F)F)cc1 O=C([O-])[*:1] Cc1ccc(cc1)[C@H](C[*:1])NC(=O)C(F)(F)F
Cc1ccc([C@H](CC(=O)[O-])NC(=O)C(F)(F)F)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)[C@H](NC(=O)C(F)(F)F)[*:1]
Cc1ccc([C@H](CC(=O)[O-])NC(=O)C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@H](CC(=O)[O-])NC(=O)[*:1]
CO[C@@H](C)c1ncc(C[NH2+]C(C)C)cn1 CC(C)[*:1] CO[C@@H](C)c1ncc(cn1)C[NH2+][*:1]
CO[C@@H](C)c1ncc(C[NH2+]C(C)C)cn1 CO[C@@H](C)[*:1] CC(C)[NH2+]Cc1cnc(nc1)[*:1]
CO[C@@H](C)c1ncc(C[NH2+]C(C)C)cn1 CC(C)[NH2+]C[*:1] CO[C@@H](C)c1ncc(cn1)[*:1]
COc1cc(C(=O)[O-])cc(-c2cc(F)ccc2OC)c1 O=C([O-])[*:1] COc1cc(cc(c1)[*:1])-c1cc(F)ccc1OC
O=C(Nc1ccc(F)cc1)c1cc2ccccc2oc1=O Fc1ccc(cc1)[*:1] O=C(N[*:1])c1cc2ccccc2oc1=O
NC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)sc2c1CCCCCC2 NC(=O)[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1sc2CCCCCCc2c1[*:1]
NC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)sc2c1CCCCCC2 O=C([O-])[*:1] NC(=O)c1c(NC(=O)[C@H]2[C@@H]([C@@H]3C=C[C@H]2C3)[*:1])sc2CCCCCCc21
COc1cccc(/C=C2\N=C(c3ccc(OC)cc3Br)OC2=O)c1 COc1cccc(c1)[*:1] COc1ccc(C2=NC(=C[*:1])C(=O)O2)c(Br)c1
CCc1nc2cc(N)ccc2n1CCC(=O)NC1CC1 O=C(NC1CC1)[*:1] CCc1nc2cc(N)ccc2n1CC[*:1]
CCc1nc2cc(N)ccc2n1CCC(=O)NC1CC1 C1CC1[*:1] CCc1nc2cc(N)ccc2n1CCC(=O)N[*:1]
CCCCN(CC)S(=O)(=O)c1sccc1Br CCC[*:1] CCN(C[*:1])S(=O)(=O)c1sccc1Br
CCCCN(CC)S(=O)(=O)c1sccc1Br CCCC[*:1] CCN(S(=O)(=O)c1sccc1Br)[*:1]
Cc1cc(F)cc(N[C@@](C)(CO)c2nccs2)c1 c1csc(n1)[*:1] Cc1cc(F)cc(c1)N[C@@](C)(CO)[*:1]
CCCC(=O)Cn1ccnc1C#N CCC[*:1] N#Cc1nccn1CC(=O)[*:1]
O=C(Nc1ccc(F)cc1)C(=O)N1CCC2(CCCCC2)C1 Fc1ccc(cc1)[*:1] O=C(N[*:1])C(=O)N1CCC2(CCCCC2)C1
O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 Clc1ccccc1C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(cc1)-c1noc(n1)C1CC1
O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 C1CC1c1nc(no1)[*:1] O=C(NCc1ccccc1Cl)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 O=C(NCc1ccccc1Cl)[*:1] O=C(c1ccc(cc1)-c1noc(n1)C1CC1)N1CCC(CC1)[*:1]
O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 C1CC1[*:1] O=C(NCc1ccccc1Cl)C1CCN(CC1)C(=O)c1ccc(cc1)-c1noc(n1)[*:1]
O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 Clc1ccccc1[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1ccc(cc1)-c1noc(n1)C1CC1
CCc1cnc(C[NH+](C)Cc2cc(C)n(-c3nccs3)c2C)s1 CCc1cnc(s1)[*:1] Cc1cc(C[NH+](C)C[*:1])c(C)n1-c1nccs1
CCc1cnc(C[NH+](C)Cc2cc(C)n(-c3nccs3)c2C)s1 c1csc(n1)[*:1] CCc1cnc(C[NH+](C)Cc2cc(C)n(c2C)[*:1])s1
CC(C)[NH2+]C[C@@H](O)c1ccc(O)cc1 CC(C)[*:1] Oc1ccc(cc1)[C@H](O)C[NH2+][*:1]
C[C@@H](OC(=O)/C=C/c1ccccc1)c1nccs1 c1csc(n1)[*:1] C[C@@H](OC(=O)/C=C/c1ccccc1)[*:1]
C[C@@H](OC(=O)/C=C/c1ccccc1)c1nccs1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)C=C[*:1])c1nccs1
CNC(=O)[C@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1C(=O)c1cccc(C(F)(F)F)c1 CNC(=O)[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCN(CCS(=O)(=O)c2ccccc2)C[C@@H]1[*:1]
CNC(=O)[C@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1C(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CNC(=O)[C@H]1CN(CCN1C(=O)c1cccc(c1)[*:1])CCS(=O)(=O)c1ccccc1
CNC(=O)[C@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1C(=O)c1cccc(C(F)(F)F)c1 O=S(=O)(C[*:1])c1ccccc1 CNC(=O)[C@H]1CN(CCN1C(=O)c1cccc(c1)C(F)(F)F)C[*:1]
CNC(=O)[C@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1C(=O)c1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] CNC(=O)[C@H]1CN(CCN1C(=O)c1cccc(c1)C(F)(F)F)CCS(=O)(=O)[*:1]
CNC(=O)[C@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1C(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] CNC(=O)[C@H]1CN(CCN1C(=O)[*:1])CCS(=O)(=O)c1ccccc1
CNC(=O)[C@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1C(=O)c1cccc(C(F)(F)F)c1 O=S(=O)(CC[*:1])c1ccccc1 CNC(=O)[C@H]1CN(CCN1C(=O)c1cccc(c1)C(F)(F)F)[*:1]
CNC(=O)[C@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1C(=O)c1cccc(C(F)(F)F)c1 O=S(=O)(c1ccccc1)[*:1] CNC(=O)[C@H]1CN(CCN1C(=O)c1cccc(c1)C(F)(F)F)CC[*:1]
O=C(NN1CCCCC1)/C(=C/c1c([O-])on[n+]1-c1ccccc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NN1CCCCC1)/C(=C/c1c([O-])on[n+]1[*:1])NC(=O)c1ccccc1
O=C(NN1CCCCC1)/C(=C/c1c([O-])on[n+]1-c1ccccc1)NC(=O)c1ccccc1 O=C(NN1CCCCC1)[*:1] O=C(N/C(=C\c1c([O-])on[n+]1-c1ccccc1)[*:1])c1ccccc1
O=C(NN1CCCCC1)/C(=C/c1c([O-])on[n+]1-c1ccccc1)NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(NN1CCCCC1)C(=Cc1c([O-])on[n+]1-c1ccccc1)[*:1]
O=C(NN1CCCCC1)/C(=C/c1c([O-])on[n+]1-c1ccccc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NN1CCCCC1)/C(=C/c1c([O-])on[n+]1-c1ccccc1)NC(=O)[*:1]
CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2CC)ccc1O CCO[*:1] CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)c(c1)[*:1]
CCn1nc(C)c(NC(=O)NCC2([O-])CCC2)c1C [O-]C1(CCC1)C[*:1] CCn1nc(C)c(NC(=O)N[*:1])c1C
CCn1nc(C)c(NC(=O)NCC2([O-])CCC2)c1C [O-]C1(CCC1)[*:1] CCn1nc(C)c(NC(=O)NC[*:1])c1C
O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCc2ccccc2C1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1)[N-]S(=O)(=O)c1cccc(c1)[*:1])N1CCc2ccccc2C1
O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCc2ccccc2C1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(c1ccc(cc1)[N-]S(=O)(=O)[*:1])N1CCc2ccccc2C1
Cc1ccsc1C(=O)N[C@H]1CCCc2c1cnn2C Cc1ccsc1[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)[*:1]
COC(=O)[C@H](NC(=O)c1cccc(OC)n1)c1ccc(C)cc1 COC(=O)[*:1] COc1cccc(n1)C(=O)N[C@H](c1ccc(C)cc1)[*:1]
COC(=O)[C@H](NC(=O)c1cccc(OC)n1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)c1cccc(n1)OC)[*:1]
COc1ccc(CNC(=O)c2coc(-c3ccccc3)n2)c(OC)c1OC c1ccc(cc1)[*:1] COc1ccc(CNC(=O)c2coc(n2)[*:1])c(OC)c1OC
Cc1c(Cl)cc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(Cl)cc(cc1[*:1])S(=O)(=O)NNC(=O)c1oc2ccccc2c1C
CC(=O)c1cc(Cl)ccc1OCc1cccc(S(=O)(=O)N2CCOCC2)c1 CC(=O)[*:1] O=S(=O)(c1cccc(c1)COc1ccc(Cl)cc1[*:1])N1CCOCC1
CC(=O)c1cc(Cl)ccc1OCc1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] CC(=O)c1cc(Cl)ccc1OCc1cccc(c1)[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)CCCn2c(=O)oc3ccccc32)cc1 CCO[*:1] O=C(CCCn1c(=O)oc2ccccc21)N1CCC[C@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)CCCn2c(=O)oc3ccccc32)cc1 CCOc1ccc(cc1)[*:1] O=C(CCCn1c(=O)oc2ccccc21)N1CCC[C@H]1[*:1]
O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCC1 O=C(NCC[*:1])N1CCC1 FC(F)(F)c1cccc(c1)N1CC[NH+](CC1)CC[*:1]
O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCC1 O=C(N[*:1])N1CCC1 FC(F)(F)c1cccc(c1)N1CC[NH+](CCCC[*:1])CC1
O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCC1 FC(F)(F)[*:1] O=C(NCCCC[NH+]1CCN(CC1)c1cccc(c1)[*:1])N1CCC1
O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCC1 O=C(NC[*:1])N1CCC1 FC(F)(F)c1cccc(c1)N1CC[NH+](CCC[*:1])CC1
O=C(NCC1CC1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 O=C(NCC1CC1)[*:1] O=C(Nc1ccccc1F)N1CCC[C@H](C1)[*:1]
O=C(NCC1CC1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 C1CC1[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)Nc1ccccc1F
O=C(NCC1CC1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 C1CC1C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)Nc1ccccc1F
O=C(NCC1CC1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 Fc1ccccc1[*:1] O=C(NCC1CC1)[C@@H]1CCCN(C1)C(=O)N[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)CC3CCC3)CC2)c1 C1CC(C1)C[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)CC3CCC3)CC2)c1 C1CC(C1)[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)C[*:1]
O=C(/C=C\c1ccccc1)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21 C(=C[*:1])c1ccccc1 O=C(NCCn1ncc2c(=O)n(cnc21)Cc1cccc(F)c1)[*:1]
O=C(/C=C\c1ccccc1)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21 c1ccc(cc1)[*:1] O=C(C=C[*:1])NCCn1ncc2c(=O)n(cnc21)Cc1cccc(F)c1
O=C(/C=C\c1ccccc1)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21 Fc1cccc(c1)C[*:1] O=C(/C=C\c1ccccc1)NCCn1ncc2c(=O)n(cnc21)[*:1]
O=C(/C=C\c1ccccc1)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21 Fc1cccc(c1)[*:1] O=C(/C=C\c1ccccc1)NCCn1ncc2c(=O)n(cnc21)C[*:1]
Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 Cc1ccc(cc1)C(=O)[*:1] CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccccc1[*:1]
Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccccc1C(=O)[*:1]
Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)C(=O)c1ccccc1C(=O)OCC(=O)NC(=O)N[*:1]
CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCN(c2cccc(C)c2C)CC1 CCOC(=O)[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@H](C)C(=O)Nc1c([nH]c2ccc(F)cc12)[*:1]
CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCN(c2cccc(C)c2C)CC1 Cc1cccc(c1C)[*:1] CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCN(CC1)[*:1]
COc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1NC(=O)C(C)(C(F)(F)F)C(F)(F)F)[*:1]
COc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1NC(=O)C(C)(C(F)(F)F)[*:1])C(F)(F)F
CCc1nn(C)cc1C[NH2+]C/C=C/c1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1C[NH2+]CC=C[*:1]
C[C@H]1OCC[C@@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] C[C@H]1OCC[C@@H]1[NH2+]C1CCN(CC1)C(=O)N[*:1]
CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] CC(=O)N/C(=C\c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl O=[N+]([O-])[*:1] CC(=O)N/C(=C\c1cccc(c1)[*:1])C(=O)Nc1ccccc1Cl
CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl CC(=O)N[*:1] O=C(Nc1ccccc1Cl)C(=Cc1cccc(c1)[N+](=O)[O-])[*:1]
C[C@@H](NC[C@@H]1CSc2ccccc21)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC[C@@H]1CSc2ccccc21)[*:1]
O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CCN(CC(=O)N2CCCCC2)CC1 O=C(C[*:1])N1CCCCC1 O=C(CCc1nc2sc3CCCCc3c2c(=O)[nH]1)N1CCN(CC1)[*:1]
O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1CCN(CC(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] O=C(CCc1nc2sc3CCCCc3c2c(=O)[nH]1)N1CCN(CC1)C[*:1]
O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] O=C(C1CC[NH+](CC1)Cc1ccc(F)cc1)N1CCN(CC1)[*:1]
O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 Fc1ccc(cc1)C[*:1] O=C(C1CC[NH+](CC1)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(C1CC[NH+](CC1)Cc1ccc(F)cc1)N1CCN(CC1)C[*:1]
O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 Fc1ccc(cc1)[*:1] O=C(C1CC[NH+](CC1)C[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
COCCn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cccc(OC)c21 COCC[*:1] COc1cccc2s/c(=N\C(=O)c3ccc(cc3)N3C(=O)CCC3=O)n(c12)[*:1]
COCCn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cccc(OC)c21 COC[*:1] COc1cccc2s/c(=N\C(=O)c3ccc(cc3)N3C(=O)CCC3=O)n(C[*:1])c12
COCCn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cccc(OC)c21 O=C1CCC(=O)N1[*:1] COCCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cccc(OC)c21
COc1ccc(F)cc1NC(=O)c1ccc(CS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] COc1ccc(F)cc1NC(=O)c1ccc(cc1)[*:1]
COc1ccc(F)cc1NC(=O)c1ccc(CS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] COc1ccc(F)cc1NC(=O)c1ccc(cc1)C[*:1]
O=C(Nc1cc(F)c2nc(N3CCCC3)ccc2c1)NC1CCCC1 C1CCN(C1)[*:1] O=C(Nc1cc(F)c2nc(ccc2c1)[*:1])NC1CCCC1
O=C(Nc1cc(F)c2nc(N3CCCC3)ccc2c1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cc(F)c2nc(ccc2c1)N1CCCC1)N[*:1]
CN(C)c1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c1 CN(C)[*:1] O=C(COC(=O)c1cccc(c1)[*:1])Nc1ccc(F)cc1F
CN(C)c1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] CN(C)c1cccc(c1)C(=O)OCC(=O)N[*:1]
CCc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)C(=O)NC(=S)Nc1cc(ccc1O)[*:1]
CCc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1 CCc1ccc(cc1)[*:1] O=C(NC(=S)Nc1cc(ccc1O)[N+](=O)[O-])[*:1]
Cc1csc(C[C@@H](C[NH2+]C(C)C)Cc2cccc(F)c2)n1 Cc1csc(C[*:1])n1 CC(C)[NH2+]C[C@@H](Cc1cccc(F)c1)[*:1]
Cc1csc(C[C@@H](C[NH2+]C(C)C)Cc2cccc(F)c2)n1 CC(C)[*:1] Cc1csc(C[C@@H](C[NH2+][*:1])Cc2cccc(F)c2)n1
Cc1csc(C[C@@H](C[NH2+]C(C)C)Cc2cccc(F)c2)n1 Cc1csc(n1)[*:1] CC(C)[NH2+]C[C@@H](Cc1cccc(F)c1)C[*:1]
Cc1csc(C[C@@H](C[NH2+]C(C)C)Cc2cccc(F)c2)n1 Fc1cccc(c1)[*:1] Cc1csc(C[C@@H](C[NH2+]C(C)C)C[*:1])n1
CC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(N3CCCCS3(=O)=O)cc2C)cc1 O=S1(=O)CCCCN1[*:1] CC(=O)c1ccc(cc1)NS(=O)(=O)c1c(C)cc(cc1C)[*:1]
CC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(N3CCCCS3(=O)=O)cc2C)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1cc(cc(C)c1S(=O)(=O)N[*:1])N1CCCCS1(=O)=O
CC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(N3CCCCS3(=O)=O)cc2C)cc1 CC(=O)[*:1] Cc1cc(cc(C)c1S(=O)(=O)Nc1ccc(cc1)[*:1])N1CCCCS1(=O)=O
C[C@@H]1Oc2ccccc2N(CCC(=O)Oc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H]1Oc2ccccc2N(CCC(=O)O[*:1])C1=O
CN(C)c1cc(CNC(=O)Cc2ccc(F)cc2)cc[nH+]1 Fc1ccc(cc1)[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)C[*:1]
CN(C)c1cc(CNC(=O)Cc2ccc(F)cc2)cc[nH+]1 CN(C)[*:1] O=C(Cc1ccc(F)cc1)NCc1cc[nH+]c(c1)[*:1]
CC(C)OC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2 CC(C)[*:1] CN1CC2(CCN(CC2)C(=O)O[*:1])C[C@@H](C1=O)c1ccccc1
CC(C)OC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2 c1ccc(cc1)[*:1] CC(C)OC(=O)N1CCC2(CC1)C[C@H](C(=O)N(C)C2)[*:1]
CCCOc1ccccc1C[NH2+][C@H]1CCC[C@H](C)C1 CCC[*:1] C[C@H]1CCC[C@@H](C1)[NH2+]Cc1ccccc1O[*:1]
CCCOc1ccccc1C[NH2+][C@H]1CCC[C@H](C)C1 CCCO[*:1] C[C@H]1CCC[C@@H](C1)[NH2+]Cc1ccccc1[*:1]
C[C@H]1CCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2F)C[C@@H]1O Fc1ccccc1[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)N[C@@H]1C[C@H]1[*:1]
CCC1(CNC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CCC1 Clc1ccc(cc1)[*:1] CCC1(CCC1)CNC(=O)N1CCCN(CC1)C(=O)[*:1]
CCC1(CNC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])N1CCCN(CC1)C(=O)c1ccc(Cl)cc1
CCC1(CNC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CCC1 CCC1(CCC1)C[*:1] O=C(N[*:1])N1CCCN(CC1)C(=O)c1ccc(Cl)cc1
Cc1nc2ccc(NC(=O)N3CC[C@H](c4ccccc4)C3)cc2nc1C c1ccc(cc1)[*:1] Cc1nc2ccc(cc2nc1C)NC(=O)N1CC[C@H](C1)[*:1]
CCCn1nc(C)c(NC(=O)COc2c[nH]c(C)cc2=O)c1C CCC[*:1] Cc1cc(=O)c(c[nH]1)OCC(=O)Nc1c(C)nn(c1C)[*:1]
O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)NC(=O)CO2 Clc1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])Nc1ccc2OCC(=O)Nc2c1
CN(C[C@@H]1CCOC1)C(=O)Nc1ccccc1CN1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] CN(C[C@@H]1CCOC1)C(=O)Nc1ccccc1C[*:1]
CN(Cc1ccncc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 c1cc(ccn1)[*:1] CN(C[*:1])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1
CN(Cc1ccncc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 c1cc(ccn1)C[*:1] CN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[*:1]
CN(Cc1ccncc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 c1csc(c1)[*:1] CN(Cc1ccncc1)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1ccc([C@H]([NH2+]C[C@@](C)(O)c2cccs2)C2CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@](O)(C[NH2+][C@H](C1CC1)[*:1])c1cccs1
Cc1ccc([C@H]([NH2+]C[C@@](C)(O)c2cccs2)C2CC2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@H]([NH2+]C[C@@](C)(O)[*:1])C1CC1
Cc1ccc([C@H]([NH2+]C[C@@](C)(O)c2cccs2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H]([NH2+]C[C@@](C)(O)c1cccs1)[*:1]
CCCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)c2ccccc21 CCC[*:1] COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccncc3)c(=O)c2[C@]12C(=O)N(c1ccccc12)[*:1]
CCCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)c2ccccc21 c1cc(ccn1)[*:1] CCCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(C[*:1])c(=O)c32)c2ccccc21
CCCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)c2ccccc21 c1cc(ccn1)C[*:1] CCCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(c(=O)c32)[*:1])c2ccccc21
CCCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)c2ccccc21 COC(=O)[*:1] CCCN1C(=O)[C@@]2(C(=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)[*:1])c2ccccc21
CSCc1ccnc(N2CCCN(c3ncccc3C#N)CC2)c1 CSC[*:1] N#Cc1cccnc1N1CCCN(CC1)c1cc(ccn1)[*:1]
CSCc1ccnc(N2CCCN(c3ncccc3C#N)CC2)c1 N#Cc1cccnc1[*:1] CSCc1ccnc(c1)N1CCCN(CC1)[*:1]
CCC1(CC)[C@H]([NH2+]C2CCN(c3nc(C)cs3)CC2)C[C@H]1OC Cc1csc(n1)[*:1] CCC1(CC)[C@@H](C[C@H]1OC)[NH2+]C1CCN(CC1)[*:1]
N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] N#Cc1cccnc1NCCNC(=O)C(=O)N[*:1]
N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(Cl)cc1F N#Cc1cccnc1[*:1] O=C(NCCN[*:1])C(=O)Nc1ccc(Cl)cc1F
C=Cc1ccc2nc(C(F)(F)F)c(C#N)c(N)c2c1 FC(F)(F)[*:1] C=Cc1ccc2nc(c(C#N)c(N)c2c1)[*:1]
CC(=O)N[C@H](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
CC(=O)N[C@H](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(C)cc1 Clc1cccc(c1)[*:1] CC(=O)N[C@H](CC(=O)N1CCN(CC1)[*:1])c1ccc(C)cc1
CC(=O)N[C@H](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
COc1ccc(NC(C)=O)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 O=[N+]([O-])[*:1] COc1ccc(NC(C)=O)c(c1)NC(=O)c1ccc(o1)[*:1]
COc1ccc(NC(C)=O)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 CC(=O)N[*:1] COc1ccc(c(c1)NC(=O)c1ccc(o1)[N+](=O)[O-])[*:1]
COC(=O)[C@H](C)CN(C)C(=O)N[C@@H](C)c1c(F)cccc1Cl COC(=O)[*:1] C[C@H](NC(=O)N(C)C[C@@H](C)[*:1])c1c(F)cccc1Cl
COC(=O)[C@H](C)CN(C)C(=O)N[C@@H](C)c1c(F)cccc1Cl COC(=O)[C@H](C)[*:1] C[C@H](NC(=O)N(C)C[*:1])c1c(F)cccc1Cl
COC(=O)[C@H](C)CN(C)C(=O)N[C@@H](C)c1c(F)cccc1Cl COC(=O)[C@H](C)C[*:1] C[C@H](NC(=O)N(C)[*:1])c1c(F)cccc1Cl
O=Cc1ccc(-c2cccc(C(=O)NC3CC3)c2)cc1O O=C(NC1CC1)[*:1] O=Cc1ccc(cc1O)-c1cccc(c1)[*:1]
O=Cc1ccc(-c2cccc(C(=O)NC3CC3)c2)cc1O C1CC1[*:1] O=Cc1ccc(cc1O)-c1cccc(c1)C(=O)N[*:1]
Cc1ccc(NC(=O)N2CC[NH+](CCC(C)C)CC2)cc1S(C)(=O)=O CC(C)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N1CC[NH+](CC1)CC[*:1]
Cc1ccc(NC(=O)N2CC[NH+](CCC(C)C)CC2)cc1S(C)(=O)=O CC(C)C[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N1CC[NH+](CC1)C[*:1]
Cc1ccc(NC(=O)N2CC[NH+](CCC(C)C)CC2)cc1S(C)(=O)=O CC(C)CC[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N1CC[NH+](CC1)[*:1]
Cc1ccc(NC(=O)N2CC[NH+](CCC(C)C)CC2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CC[NH+](CCC(C)C)CC1
O=C(Nc1nc2c(s1)CN(C(=O)Nc1cccs1)CC2)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1cccs1)N1CCc2nc(NC(=O)[*:1])sc2C1
O=C(Nc1nc2c(s1)CN(C(=O)Nc1cccs1)CC2)c1cnccn1 c1csc(c1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)N[*:1])c1cnccn1
O=C(COC[C@H]1COc2ccccc2O1)N1CCC[C@@H](COc2ccccc2F)C1 Fc1ccccc1[*:1] O=C(COC[C@H]1COc2ccccc2O1)N1CCC[C@@H](CO[*:1])C1
O=C(COC[C@H]1COc2ccccc2O1)N1CCC[C@@H](COc2ccccc2F)C1 Fc1ccccc1OC[*:1] O=C(COC[C@H]1COc2ccccc2O1)N1CCC[C@@H](C1)[*:1]
O=C(COC[C@H]1COc2ccccc2O1)N1CCC[C@@H](COc2ccccc2F)C1 Fc1ccccc1O[*:1] O=C(COC[C@H]1COc2ccccc2O1)N1CCC[C@H](C1)C[*:1]
O=C(COC[C@H]1COc2ccccc2O1)N1CCC[C@@H](COc2ccccc2F)C1 c1ccc2O[C@H](COc2c1)[*:1] O=C(COC[*:1])N1CCC[C@@H](COc2ccccc2F)C1
CCOc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1 CCOc1ccc(cc1)[*:1] CC(C)(C)OC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
CCOc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1 CCO[*:1] CC(C)(C)OC(=O)c1c(N)n(-c2ccc(cc2)[*:1])c2nc3ccccc3nc12
CCOc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1 CC(C)(C)OC(=O)[*:1] CCOc1ccc(cc1)-n1c(N)c(c2nc3ccccc3nc21)[*:1]
CCOc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)-n1c(N)c(C(=O)O[*:1])c2nc3ccccc3nc21
CCOc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2C)C1=O CCO[*:1] Cc1ccccc1N1C(=O)C[C@@H](Nc2ccccc2[*:1])C1=O
CCOc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2C)C1=O Cc1ccccc1[*:1] CCOc1ccccc1N[C@@H]1CC(=O)N(C1=O)[*:1]
Cc1nc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)ccc1C#N C[C@@H]1CCCCN1C(=O)[*:1] Cc1nc(ccc1C#N)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)ccc1C#N Cc1nc(ccc1C#N)[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)[*:1]
CCNC(=O)c1ccc(N[C@H]2c3ccccc3C[C@H]2O)[nH+]n1 CCNC(=O)[*:1] O[C@@H]1Cc2ccccc2[C@@H]1Nc1ccc(n[nH+]1)[*:1]
CN(C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl)[*:1]
Cc1cncc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c1 O=C(N1CCCC1)[*:1] Cc1cncc(c1)C(=O)Nc1ccc(cc1C)[*:1]
Cc1cncc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c1 Cc1cncc(c1)[*:1] Cc1cc(ccc1NC(=O)[*:1])C(=O)N1CCCC1
CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cnc([C@@H]2CCCO2)s1 CC(C)C[*:1] O=C(N[C@@H]1CCC[C@@H]1C[*:1])c1cnc(s1)[C@@H]1CCCO1
CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cnc([C@@H]2CCCO2)s1 CC(C)[*:1] O=C(N[C@@H]1CCC[C@@H]1CC[*:1])c1cnc(s1)[C@@H]1CCCO1
CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cnc(s1)[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cnc([C@@H]2CCCO2)s1 CC(C)CC[*:1] O=C(N[C@@H]1CCC[C@@H]1[*:1])c1cnc(s1)[C@@H]1CCCO1
C[C@@H](NC[C@H](O)c1ccncc1)c1c(F)cccc1N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](NC[C@H](O)c1ccncc1)c1c(F)cccc1[*:1]
C[C@@H](NC[C@H](O)c1ccncc1)c1c(F)cccc1N1CCOCC1 O[C@H](c1ccncc1)[*:1] C[C@@H](NC[*:1])c1c(F)cccc1N1CCOCC1
C[C@@H](NC[C@H](O)c1ccncc1)c1c(F)cccc1N1CCOCC1 c1cc(ccn1)[*:1] C[C@@H](NC[C@H](O)[*:1])c1c(F)cccc1N1CCOCC1
O=C(CN1CCN(C(=O)Nc2ccccc2OC(F)F)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Nc1ccccc1OC(F)F)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)Nc2ccccc2OC(F)F)CC1)NC1CC1 FC(F)O[*:1] O=C(CN1CCN(CC1)C(=O)Nc1ccccc1[*:1])NC1CC1
O=C(CN1CCN(C(=O)Nc2ccccc2OC(F)F)CC1)NC1CC1 FC(F)[*:1] O=C(CN1CCN(CC1)C(=O)Nc1ccccc1O[*:1])NC1CC1
O=C(CN1CCN(C(=O)Nc2ccccc2OC(F)F)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(Nc1ccccc1OC(F)F)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)Nc2ccccc2OC(F)F)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)C(=O)Nc1ccccc1OC(F)F)N[*:1]
[NH3+]C1CCN(c2cc(-c3cccnc3)nc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] [NH3+]C1CCN(CC1)c1cc(nc(n1)[*:1])-c1cccnc1
[NH3+]C1CCN(c2cc(-c3cccnc3)nc(-c3ccccc3)n2)CC1 c1cncc(c1)[*:1] [NH3+]C1CCN(CC1)c1cc(nc(n1)-c1ccccc1)[*:1]
O=c1[nH]c(CN(CCC(F)(F)F)C2CCCC2)nc2ccccc12 FC(F)(F)CC[*:1] O=c1[nH]c(CN(C2CCCC2)[*:1])nc2ccccc12
O=c1[nH]c(CN(CCC(F)(F)F)C2CCCC2)nc2ccccc12 C1CCC(C1)[*:1] O=c1[nH]c(CN(CCC(F)(F)F)[*:1])nc2ccccc12
O=c1[nH]c(CN(CCC(F)(F)F)C2CCCC2)nc2ccccc12 FC(F)(F)C[*:1] O=c1[nH]c(CN(C[*:1])C2CCCC2)nc2ccccc12
O=c1[nH]c(CN(CCC(F)(F)F)C2CCCC2)nc2ccccc12 FC(F)(F)[*:1] O=c1[nH]c(CN(CC[*:1])C2CCCC2)nc2ccccc12
CCOc1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2[*:1])c1C
CCOc1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C CCOc1ccccc1[*:1] Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N[*:1]
CCOc1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C CCO[*:1] Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccccc1[*:1]
C=CCOc1ccccc1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O C=CCO[*:1] C[C@@H](O)[C@H](NC(=O)c1ccccc1[*:1])C(=O)[O-]
C=CCOc1ccccc1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O O=C([O-])[*:1] C=CCOc1ccccc1C(=O)N[C@H]([C@@H](C)O)[*:1]
C=CCOc1ccccc1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O C[C@@H](O)[*:1] C=CCOc1ccccc1C(=O)N[C@H](C(=O)[O-])[*:1]
C=CCOc1ccccc1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O C=CC[*:1] C[C@@H](O)[C@H](NC(=O)c1ccccc1O[*:1])C(=O)[O-]
C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1
C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)[*:1]
CCS(=O)(=O)NCCNC(=O)N1C[C@H](C)c2ccccc21 CCS(=O)(=O)N[*:1] C[C@H]1CN(C(=O)NCC[*:1])c2ccccc21
CCS(=O)(=O)NCCNC(=O)N1C[C@H](C)c2ccccc21 CCS(=O)(=O)NC[*:1] C[C@H]1CN(C(=O)NC[*:1])c2ccccc21
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N[C@@H]1CCSc2ccc(F)cc21
O=C(Nc1ccccc1-c1ccccc1)c1cnc([C@@H]2CCCO2)s1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1[*:1])c1cnc(s1)[C@@H]1CCCO1
CC(C)(C)c1csc(CN2C[C@@H](C3CC3)[NH2+]CC2(C)C)n1 CC(C)(C)[*:1] CC1(C)C[NH2+][C@@H](CN1Cc1nc(cs1)[*:1])C1CC1
CC(C)(C)c1csc(CN2C[C@@H](C3CC3)[NH2+]CC2(C)C)n1 C1CC1[*:1] CC(C)(C)c1csc(CN2C[C@@H]([NH2+]CC2(C)C)[*:1])n1
NC(=O)[C@H]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C1 NC(=O)[*:1] O=C(CCC(=O)N1CC[C@@H](C1)[*:1])c1ccc2CCCc2c1
C/C(=N\OC(=O)c1cc(F)ccc1F)c1ccncc1 c1cc(ccn1)[*:1] CC(=NOC(=O)c1cc(F)ccc1F)[*:1]
CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CCC(=O)N2)CC1 O=C1CC[C@@H](N1)[*:1] CC[NH+]1CCN(CC1)[C@@H](C)CNC(=O)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)NCCc2ccccc2Cl)C1 COC(=O)C(C)(C)[*:1] O=C(NCCc1ccccc1Cl)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)NCCc2ccccc2Cl)C1 Clc1ccccc1[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)NCC[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)NCCc2ccccc2Cl)C1 Clc1ccccc1C[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)NC[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)NCCc2ccccc2Cl)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)C(=O)NCCc1ccccc1Cl)[*:1]
C[C@@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)NS(=O)(=O)c1cccs1)[*:1]
C[C@@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccc(F)cc1F O=S(=O)(N[*:1])c1cccs1 C[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(F)cc1F
C[C@@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccc(F)cc1F c1csc(c1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)NS(=O)(=O)[*:1])c1ccc(F)cc1F
C[S@](=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 Fc1cccc(F)c1[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)[C@@H]1C[C@H]1[*:1]
C[S@](=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 C[S@](=O)[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1C[C@@H]1c1c(F)cccc1F
Cc1ccc(N)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] Cc1ccc(N)c(c1C)S(=O)(=O)NC[*:1]
C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(Br)cn2)C1=O Brc1ccc(nc1)[*:1] C[C@@H]1Oc2ccccc2N(CCC(=O)N[*:1])C1=O
O=C1CN(C(=O)COC(=O)c2cccc(Br)c2)c2ccccc2N1 Brc1cccc(c1)[*:1] O=C1CN(C(=O)COC(=O)[*:1])c2ccccc2N1
CN(C)C(=O)c1cccc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)c1 CN(C)C(=O)[*:1] O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)c1 c1ccc2[nH]c(cc2c1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)CNC(=O)[*:1]
C[C@@](O)(CNC(=O)NCc1ccc(-n2cncn2)cc1)c1ccsc1 c1ncn(n1)[*:1] C[C@@](O)(CNC(=O)NCc1ccc(cc1)[*:1])c1ccsc1
C[C@@](O)(CNC(=O)NCc1ccc(-n2cncn2)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@](O)(CNC(=O)NCc1ccc(cc1)-n1cncn1)[*:1]
CCOc1cc2c(cc1CNC(=O)CCC1=C(C)[C@@H](C#N)C(=O)N=C1C)O[C@H](C)C2 CCO[*:1] CC1=NC(=O)[C@H](C#N)C(C)=C1CCC(=O)NCc1cc2O[C@H](C)Cc2cc1[*:1]
Cc1cccc([C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1 O=C([O-])C[*:1] Cc1cccc(c1)[C@@H](NC(=O)OC(C)(C)C)[*:1]
Cc1cccc([C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1 O=C([O-])[*:1] Cc1cccc(c1)[C@@H](C[*:1])NC(=O)OC(C)(C)C
Cc1cccc([C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@@H](CC(=O)[O-])NC(=O)O[*:1]
C=CCN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 CS(=O)(=O)[*:1] C=CCN(C(=O)[C@@H]1CC(=O)N(C1)C1CCCC1)c1nc(cs1)-c1ccc(cc1)[*:1]
C=CCN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 C=CC[*:1] CS(=O)(=O)c1ccc(cc1)-c1csc(n1)N(C(=O)[C@@H]1CC(=O)N(C1)C1CCCC1)[*:1]
C=CCN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 C1CCC(C1)[*:1] C=CCN(C(=O)[C@@H]1CC(=O)N(C1)[*:1])c1nc(cs1)-c1ccc(cc1)S(C)(=O)=O
C=CCN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 CS(=O)(=O)c1ccc(cc1)[*:1] C=CCN(C(=O)[C@@H]1CC(=O)N(C1)C1CCCC1)c1nc(cs1)[*:1]
C=CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1C1CC1 C=CC[*:1] Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2[*:1])c(Br)c1
C=CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1C1CC1 Cc1ccc(c(Br)c1)[*:1] C=CCn1c(nnc1C1CC1)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1C1CC1 C1CC1[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1ccc(C)cc1Br
COC(=O)c1cccc2c1CCCN2C(=O)COc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)c1cccc2c1CCCN2C(=O)COc1ccccc1[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)COc1ccccc1[N+](=O)[O-] COC(=O)[*:1] O=C(COc1ccccc1[N+](=O)[O-])N1CCCc2c1cccc2[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)COc1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] COC(=O)c1cccc2c1CCCN2C(=O)CO[*:1]
Cc1nccc(-c2sc(C3CCN(C(=O)Cn4nc(C)c(C)c4C)CC3)nc2C)n1 Cc1nn(C[*:1])c(C)c1C Cc1nccc(n1)-c1sc(nc1C)C1CCN(CC1)C(=O)[*:1]
Cc1nccc(-c2sc(C3CCN(C(=O)Cn4nc(C)c(C)c4C)CC3)nc2C)n1 Cc1nccc(n1)[*:1] Cc1nc(sc1[*:1])C1CCN(CC1)C(=O)Cn1nc(C)c(C)c1C
Cc1nccc(-c2sc(C3CCN(C(=O)Cn4nc(C)c(C)c4C)CC3)nc2C)n1 Cc1nn(c(C)c1C)[*:1] Cc1nccc(n1)-c1sc(nc1C)C1CCN(CC1)C(=O)C[*:1]
Cc1nc(C2(NC(=O)[C@@H](C)Oc3ccccc3)CCCCCC2)no1 Cc1nc(no1)[*:1] C[C@@H](Oc1ccccc1)C(=O)NC1(CCCCCC1)[*:1]
Cc1nc(C2(NC(=O)[C@@H](C)Oc3ccccc3)CCCCCC2)no1 c1ccc(cc1)[*:1] Cc1nc(no1)C1(CCCCCC1)NC(=O)[C@@H](C)O[*:1]
Cc1nc(C2(NC(=O)[C@@H](C)Oc3ccccc3)CCCCCC2)no1 c1ccc(cc1)O[*:1] Cc1nc(no1)C1(CCCCCC1)NC(=O)[C@@H](C)[*:1]
Cc1ccc2cc(C(=O)N[C@H](C)c3cccc(C#N)c3)c(C)nc2c1 N#Cc1cccc(c1)[*:1] Cc1ccc2cc(C(=O)N[C@H](C)[*:1])c(C)nc2c1
CC[C@H](Cc1ccc(C)cc1)NC(=O)CCc1c(C)nc2cc(C)nn2c1C Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)CCc1c(C)nc2cc(C)nn2c1C
CC[C@H](Cc1ccc(C)cc1)NC(=O)CCc1c(C)nc2cc(C)nn2c1C Cc1ccc(cc1)C[*:1] CC[C@H](NC(=O)CCc1c(C)nc2cc(C)nn2c1C)[*:1]
CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cccs3)C[C@H]21 CCO[*:1] CC(=O)N1CCC2(CC1)Oc1c(cccc1[*:1])[C@H]1CC(=NN12)c1cccs1
CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cccs3)C[C@H]21 c1csc(c1)[*:1] CCOc1cccc2c1OC1(CCN(CC1)C(C)=O)N1N=C(C[C@H]21)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N1N=C2CCCC[C@H]2[C@]1(O)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F
Cc1cscc1CN[C@@H](Cc1cccs1)c1cccs1 c1csc(c1)[*:1] Cc1cscc1CN[C@@H](Cc1cccs1)[*:1]
Cc1cscc1CN[C@@H](Cc1cccs1)c1cccs1 c1csc(c1)C[*:1] Cc1cscc1CN[C@@H](c1cccs1)[*:1]
Cc1cscc1CN[C@@H](Cc1cccs1)c1cccs1 c1csc(c1)[*:1] Cc1cscc1CN[C@@H](C[*:1])c1cccs1
Cc1cscc1CN[C@@H](Cc1cccs1)c1cccs1 Cc1cscc1[*:1] c1csc(c1)C[C@H](NC[*:1])c1cccs1
CCCN(CCC)C(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CCCN(CCC)C(=O)c1cc(ccc1F)[*:1]
CCCN(CCC)C(=O)c1cc(C(F)(F)F)ccc1F CCC[*:1] CCCN(C(=O)c1cc(ccc1F)C(F)(F)F)[*:1]
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)CC(F)(F)F c1coc(c1)[*:1] O=C(Cn1ccc(=O)c(c1)[N+](=O)[O-])N(CC(F)(F)F)C[*:1]
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)CC(F)(F)F c1coc(c1)C[*:1] O=C(Cn1ccc(=O)c(c1)[N+](=O)[O-])N(CC(F)(F)F)[*:1]
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)CC(F)(F)F O=[N+]([O-])[*:1] O=C(Cn1ccc(=O)c(c1)[*:1])N(Cc1ccco1)CC(F)(F)F
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)CC(F)(F)F FC(F)(F)[*:1] O=C(Cn1ccc(=O)c(c1)[N+](=O)[O-])N(Cc1ccco1)C[*:1]
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)CC(F)(F)F FC(F)(F)C[*:1] O=C(Cn1ccc(=O)c(c1)[N+](=O)[O-])N(Cc1ccco1)[*:1]
CCc1ccc(N2C(=O)N(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 CCc1ccc(cc1)[*:1] O=C1N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CCc1ccc(N2C(=O)N(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)N1C(=O)N(C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
CCc1ccc(N2C(=O)N(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 c1ccc(cc1)C[*:1] CCc1ccc(cc1)N1C(=O)N([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
COc1ccc(S(=O)(=O)N[C@@H](C)c2ccncc2)cc1C(N)=O NC(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N[C@@H](C)c1ccncc1
COc1ccc(S(=O)(=O)N[C@@H](C)c2ccncc2)cc1C(N)=O c1cc(ccn1)[*:1] COc1ccc(cc1C(N)=O)S(=O)(=O)N[C@@H](C)[*:1]
Nc1cc(C(=O)[O-])[nH+]c2ccc(F)cc12 O=C([O-])[*:1] Nc1cc([nH+]c2ccc(F)cc12)[*:1]
CCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(C)=O CCOC(=O)[*:1] CC(=O)c1cn(nc1[*:1])-c1ccc(Cl)cc1
CCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(C)=O CC(=O)[*:1] CCOC(=O)c1nn(cc1[*:1])-c1ccc(Cl)cc1
CC1(C)CSC[C@@H](Nc2cc(S(C)(=O)=O)ccc2F)C1 CS(=O)(=O)[*:1] CC1(C)CSC[C@H](C1)Nc1cc(ccc1F)[*:1]
Cc1ccc(NCC[NH2+]C(C)(C)C)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)NCC[NH2+][*:1]
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 Clc1ccccc1[*:1] N#C/C(C(=O)Nc1ccc(F)cc1)=C1/C(=O)N(C[*:1])c2ccccc21
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 Fc1ccc(cc1)[*:1] N#C/C(C(=O)N[*:1])=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 Clc1ccccc1C[*:1] N#C/C(C(=O)Nc1ccc(F)cc1)=C1/C(=O)N(c2ccccc21)[*:1]
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 O=C(Nc1ccc(F)cc1)[*:1] N#CC(=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)[*:1]
COc1ccc2c(c1)C(N1CCN(C(=O)c3cccc(C#N)c3)[C@H](C)C1)=Nc1ccc(C)cc1O2 N#Cc1cccc(c1)[*:1] COc1ccc2Oc3cc(C)ccc3N=C(c2c1)N1CCN(C(=O)[*:1])[C@H](C)C1
Cc1ncccc1OCCOCCS(N)(=O)=O NS(=O)(=O)[*:1] Cc1ncccc1OCCOCC[*:1]
Cc1ncccc1OCCOCCS(N)(=O)=O NS(=O)(=O)C[*:1] Cc1ncccc1OCCOC[*:1]
Cc1ccc(N2C[C@H](c3nc(-c4ccc(N5CCCCC5)cc4)no3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](CN1[*:1])c1nc(no1)-c1ccc(cc1)N1CCCCC1
Cc1ccc(N2C[C@H](c3nc(-c4ccc(N5CCCCC5)cc4)no3)CC2=O)cc1 C1CCN(CC1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)c1nc(no1)-c1ccc(cc1)[*:1]
CCC[C@@H]1CN(C(=O)Cc2ccc(NC(C)=O)cc2)CCO1 CCC[*:1] CC(=O)Nc1ccc(cc1)CC(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)Cc2ccc(NC(C)=O)cc2)CCO1 CC(=O)N[*:1] CCC[C@@H]1CN(CCO1)C(=O)Cc1ccc(cc1)[*:1]
O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccoc1 c1cc(co1)[*:1] O=C(NNC(=O)[*:1])c1ccc2OCCOc2c1
C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(nn1-c1ccccc1)[*:1]
C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(nn1[*:1])-c1ccccc1
CCNC(=O)c1cc(NC(=O)c2c(C)nn(CC)c2Cl)nc2ccccc12 CCn1nc(C)c(c1Cl)[*:1] CCNC(=O)c1cc(nc2ccccc12)NC(=O)[*:1]
CCNC(=O)c1cc(NC(=O)c2c(C)nn(CC)c2Cl)nc2ccccc12 CCNC(=O)[*:1] CCn1nc(C)c(C(=O)Nc2cc(c3ccccc3n2)[*:1])c1Cl
CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCN1C[C@H](C)OC[C@@H]1C O=C([O-])[*:1] CC[NH2+][C@@]1(CCC[C@@H]1CCN1C[C@H](C)OC[C@@H]1C)[*:1]
CCc1cc(C[NH+](CC2CC[NH2+]CC2)C(C)C)n(C)n1 CC(C)[*:1] CCc1cc(C[NH+](CC2CC[NH2+]CC2)[*:1])n(C)n1
C[NH+](CCn1cnnc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] c1nncn1C[*:1] C[NH+](Cc1cc(Cl)cc(c1[O-])[N+](=O)[O-])C[*:1]
C[NH+](CCn1cnnc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] c1nncn1[*:1] C[NH+](CC[*:1])Cc1cc(Cl)cc(c1[O-])[N+](=O)[O-]
C[NH+](CCn1cnnc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] C[NH+](CCn1cnnc1)Cc1cc(Cl)cc(c1[O-])[*:1]
C[NH+](CCn1cnnc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] c1nncn1CC[*:1] C[NH+](Cc1cc(Cl)cc(c1[O-])[N+](=O)[O-])[*:1]
CCCOC[C@H]([NH2+]C)[C@H]1CC[C@H](CC)C1 CCCOC[*:1] CC[C@H]1CC[C@@H](C1)[C@@H]([NH2+]C)[*:1]
CCCOC[C@H]([NH2+]C)[C@H]1CC[C@H](CC)C1 CCCO[*:1] CC[C@H]1CC[C@@H](C1)[C@H](C[*:1])[NH2+]C
CCCOC[C@H]([NH2+]C)[C@H]1CC[C@H](CC)C1 CCC[*:1] CC[C@H]1CC[C@@H](C1)[C@H](CO[*:1])[NH2+]C
O=C1N[C@@H](CC(=O)N2CCC[C@H](C3=NN=C[C@@H]3c3ccc(F)c(F)c3)C2)c2ccccc21 Fc1ccc(cc1F)[*:1] O=C1N[C@@H](CC(=O)N2CCC[C@@H](C2)C2=NN=C[C@H]2[*:1])c2ccccc21
O=C1N[C@@H](CC(=O)N2CCC[C@H](C3=NN=C[C@@H]3c3ccc(F)c(F)c3)C2)c2ccccc21 O=C1N[C@@H](c2ccccc21)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)C1=NN=C[C@@H]1c1ccc(F)c(F)c1
CN1C(=O)[C@H](c2ccccc2)c2cc(Cl)ccc21 c1ccc(cc1)[*:1] CN1C(=O)[C@H](c2cc(Cl)ccc21)[*:1]
O=c1ccccn1CCCCNc1nnc(C(F)F)s1 FC(F)[*:1] O=c1ccccn1CCCCNc1nnc(s1)[*:1]
Cc1cc(C(F)F)n2ncc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)c2n1 FC(F)[*:1] Cc1cc(n2ncc(C(=O)NCC3(CCOCC3)c3cccc(F)c3)c2n1)[*:1]
Cc1cc(C(F)F)n2ncc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)c2n1 Fc1cccc(c1)[*:1] Cc1cc(C(F)F)n2ncc(C(=O)NCC3(CCOCC3)[*:1])c2n1
NC(=O)c1cccc(OCCC(=O)NCc2cc(=O)[nH]c3ccccc23)c1 NC(=O)c1cccc(c1)[*:1] O=C(CCO[*:1])NCc1cc(=O)[nH]c2ccccc12
NC(=O)c1cccc(OCCC(=O)NCc2cc(=O)[nH]c3ccccc23)c1 NC(=O)[*:1] O=C(CCOc1cccc(c1)[*:1])NCc1cc(=O)[nH]c2ccccc12
c1ccc([C@@H](c2ccncc2)c2ccccn2)cc1 c1cc(ccn1)[*:1] c1ccc(cc1)[C@@H](c1ccccn1)[*:1]
c1ccc([C@@H](c2ccncc2)c2ccccn2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)[C@H](c1ccncc1)[*:1]
c1ccc([C@@H](c2ccncc2)c2ccccn2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)[C@@H](c1ccncc1)[*:1]
C[C@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCC(=O)N2 c1csc(c1)C[*:1] C[C@H](NC(=O)[*:1])c1ccc2NC(=O)CCc2c1
C[C@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCC(=O)N2 c1csc(c1)[*:1] C[C@H](NC(=O)C[*:1])c1ccc2NC(=O)CCc2c1
COc1cc(Br)c(C[NH2+][C@@H](C)c2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1cc(Br)c(cc1OC)C[NH2+][C@@H](C)[*:1]
CCN1CCO[C@@H](C(=O)N2CCC(OC3CCCCC3)CC2)C1 C1CCC(CC1)[*:1] CCN1CCO[C@H](C1)C(=O)N1CCC(CC1)O[*:1]
CCN1CCO[C@@H](C(=O)N2CCC(OC3CCCCC3)CC2)C1 C1CCC(CC1)O[*:1] CCN1CCO[C@H](C1)C(=O)N1CCC(CC1)[*:1]
Cc1cc(C)cc(NS(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)c1 O=C1CCCC(=O)N1[*:1] Cc1cc(C)cc(c1)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(C)cc(NS(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C1CCCC(=O)N1c1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3c2-c2ccc(OC)cc2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-c1nc2sc(=C[*:1])c(=O)n2c1-c1ccc(cc1)OC
COc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3c2-c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc2s/c(=C\c3ccco3)c(=O)n2c1[*:1]
COc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3c2-c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)-c1c(nc2s/c(=C\c3ccco3)c(=O)n12)[*:1]
C[C@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(-n2cccn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(cc1)-n1cccn1
C[C@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@H](NC(=O)c1ccc(cc1)-n1cncn1)c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)N1CCCC1 CCO[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1ccc(c(c1)S(=O)(=O)N1CCCC1)[*:1]
CCOc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] CCOc1ccc(cc1[*:1])N1C(=O)[C@@H](C)CS1(=O)=O
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nnnn1C(C)(C)C CC(C)(C)[*:1] Cc1cc(ccc1NC(=O)[C@H](C)Sc1nnnn1[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nnnn1C(C)(C)C O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)[C@H](C)Sc1nnnn1C(C)(C)C)[*:1]
COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C FC(F)(F)[*:1] COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(oc1C)-c1ccc(cc1)[*:1]
COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C COC(=O)[*:1] Cc1oc(nc1CN1CCNC(=O)[C@@H]1C[*:1])-c1ccc(cc1)C(F)(F)F
COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C COC(=O)C[*:1] Cc1oc(nc1CN1CCNC(=O)[C@@H]1[*:1])-c1ccc(cc1)C(F)(F)F
Cc1ccc(C(=CN(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 CN(c1ccccc1)[*:1] Cc1ccc(cc1)C(=C[*:1])S(=O)(=O)c1ccc(C)cc1
Cc1ccc(C(=CN(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=CN(C)c1ccccc1)S(=O)(=O)[*:1]
Cc1ccc(C(=CN(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)C(=CN(C)c1ccccc1)[*:1]
Cc1ccc(C(=CN(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=CN(C)[*:1])S(=O)(=O)c1ccc(C)cc1
COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)c1ccc(o1)[*:1]
CCC1CCC(CNc2nc(COC)ns2)CC1 COC[*:1] CCC1CCC(CC1)CNc1nc(ns1)[*:1]
CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 CCc1ccccc1[*:1] C[C@H]([NH2+][C@@H](C)c1ccc2OCC(=O)Nc2c1)C(=O)N[*:1]
CN1C(=O)C[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)[C@H]1c1cccc(F)c1 FC(F)(F)[*:1] CN1C(=O)C[C@H](C(=O)Nc2cnn(c2)C[*:1])[C@H]1c1cccc(F)c1
CN1C(=O)C[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)[C@H]1c1cccc(F)c1 FC(F)(F)C[*:1] CN1C(=O)C[C@H](C(=O)Nc2cnn(c2)[*:1])[C@H]1c1cccc(F)c1
CN1C(=O)C[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CN1C(=O)C[C@H](C(=O)Nc2cnn(c2)CC(F)(F)F)[C@@H]1[*:1]
O=C(Cc1c[nH]c2ccccc12)NC1(c2cccc(F)c2)CCOCC1 Fc1cccc(c1)[*:1] O=C(Cc1c[nH]c2ccccc12)NC1(CCOCC1)[*:1]
COC(=O)C(C)(C)C[NH2+][C@@H]1CCCCC[C@H]1C COC(=O)[*:1] C[C@@H]1CCCCC[C@H]1[NH2+]CC(C)(C)[*:1]
Cc1ccnc(NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 Cc1ccnc(c1)[*:1] O=C(NN[*:1])c1ccc(cc1)NC(=O)C1CC1
Cc1ccnc(NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 O=C(N[*:1])C1CC1 Cc1ccnc(c1)NNC(=O)c1ccc(cc1)[*:1]
Cc1ccnc(NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 C1CC1[*:1] Cc1ccnc(c1)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(CCc1ccsc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 c1cc(cs1)C[*:1] O=C(C[*:1])N(C[C@@H]1CCCO1)c1nc2ccccc2s1
O=C(CCc1ccsc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 c1cc(cs1)CC[*:1] O=C(N(C[C@@H]1CCCO1)c1nc2ccccc2s1)[*:1]
O=C(CCc1ccsc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 c1cc(cs1)[*:1] O=C(CC[*:1])N(C[C@@H]1CCCO1)c1nc2ccccc2s1
O=C(CCc1ccsc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 C1CO[C@@H](C1)C[*:1] O=C(CCc1ccsc1)N(c1nc2ccccc2s1)[*:1]
CCCCNC(=O)C1CCN(c2cc(-c3nc(C)no3)cc[nH+]2)CC1 CCCCNC(=O)[*:1] Cc1noc(n1)-c1cc[nH+]c(c1)N1CCC(CC1)[*:1]
CCCCNC(=O)C1CCN(c2cc(-c3nc(C)no3)cc[nH+]2)CC1 Cc1noc(n1)[*:1] CCCCNC(=O)C1CCN(CC1)c1cc(cc[nH+]1)[*:1]
CCCCNC(=O)C1CCN(c2cc(-c3nc(C)no3)cc[nH+]2)CC1 CCC[*:1] Cc1noc(n1)-c1cc[nH+]c(c1)N1CCC(CC1)C(=O)NC[*:1]
CCCCNC(=O)C1CCN(c2cc(-c3nc(C)no3)cc[nH+]2)CC1 CCCC[*:1] Cc1noc(n1)-c1cc[nH+]c(c1)N1CCC(CC1)C(=O)N[*:1]
[NH3+][C@H]1C=C[C@H](C(=O)N2CCCc3c(C(=O)[O-])cccc32)C1 O=C([O-])[*:1] [NH3+][C@H]1C=C[C@@H](C1)C(=O)N1CCCc2c1cccc2[*:1]
CCCN1CCO[C@@H](c2nc(N)nc(C(C)C)n2)C1 CC(C)[*:1] CCCN1CCO[C@H](C1)c1nc(N)nc(n1)[*:1]
CCCN1CCO[C@@H](c2nc(N)nc(C(C)C)n2)C1 CCC[*:1] CC(C)c1nc(N)nc(n1)[C@H]1CN(CCO1)[*:1]
CC(C)Cn1ccc2cc(NC(=O)Cn3ncc(=O)c4ccccc43)ccc21 CC(C)C[*:1] O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc2c(ccn2[*:1])c1
CC(C)Cn1ccc2cc(NC(=O)Cn3ncc(=O)c4ccccc43)ccc21 CC(C)[*:1] O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc2c(ccn2C[*:1])c1
Cc1nccn1-c1ccc(CNC(=O)C2(NC(N)=O)CCCCC2)cc1F NC(=O)N[*:1] Cc1nccn1-c1ccc(cc1F)CNC(=O)C1(CCCCC1)[*:1]
Cc1nccn1-c1ccc(CNC(=O)C2(NC(N)=O)CCCCC2)cc1F Cc1nccn1[*:1] NC(=O)NC1(CCCCC1)C(=O)NCc1ccc(c(F)c1)[*:1]
Cc1cc(C(=O)NNC(=S)NCCc2ccc(Cl)cc2)c(C)o1 Clc1ccc(cc1)[*:1] Cc1cc(C(=O)NNC(=S)NCC[*:1])c(C)o1
Cc1cc(C(=O)NNC(=S)NCCc2ccc(Cl)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NNC(=S)NCCc1ccc(Cl)cc1)[*:1]
Cc1csc(CSCC(=O)N(C)[C@H]2CCCc3ccccc32)n1 Cc1csc(C[*:1])n1 CN(C(=O)CS[*:1])[C@H]1CCCc2ccccc21
Cc1csc(CSCC(=O)N(C)[C@H]2CCCc3ccccc32)n1 Cc1csc(n1)[*:1] CN(C(=O)CSC[*:1])[C@H]1CCCc2ccccc21
CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1 CCNS(=O)(=O)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)/C=C/c1ccc(cc1)[*:1]
CCCc1cc(=O)[nH]c(SCC(=O)N[C@@H]2ON=C[C@@H]2c2ccc(C)cc2)n1 CCC[*:1] Cc1ccc(cc1)[C@H]1C=NO[C@H]1NC(=O)CSc1nc(cc(=O)[nH]1)[*:1]
CCCc1cc(=O)[nH]c(SCC(=O)N[C@@H]2ON=C[C@@H]2c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCCc1cc(=O)[nH]c(n1)SCC(=O)N[C@@H]1ON=C[C@H]1[*:1]
Cc1c(N[C@H](CO)c2ccccc2F)cc(C#N)cc1[N+](=O)[O-] Fc1ccccc1[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N[C@H](CO)[*:1]
Cc1c(N[C@H](CO)c2ccccc2F)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])N[C@H](CO)c1ccccc1F
C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nc(-c2cccnc2OC2CCCCC2)no1 C1CCC(CC1)[*:1] C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nc(no1)-c1cccnc1O[*:1]
C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nc(-c2cccnc2OC2CCCCC2)no1 C1CCC(CC1)O[*:1] C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nc(no1)-c1cccnc1[*:1]
Cc1ccccc1[C@@H]1CN(C(=O)C(C)(C)C#N)[C@@H](C)CO1 CC(C)(C#N)[*:1] Cc1ccccc1[C@@H]1CN(C(=O)[*:1])[C@@H](C)CO1
Cc1ccccc1[C@@H]1CN(C(=O)C(C)(C)C#N)[C@@H](C)CO1 Cc1ccccc1[*:1] C[C@H]1CO[C@@H](CN1C(=O)C(C)(C)C#N)[*:1]
C[NH+](C)[C@@H](CNC(=O)NOCc1ccccc1)c1ccco1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)NOC[*:1])c1ccco1
C[NH+](C)[C@@H](CNC(=O)NOCc1ccccc1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)NOCc1ccccc1)[*:1]
C[NH+](C)[C@@H](CNC(=O)NOCc1ccccc1)c1ccco1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H](CNC(=O)NO[*:1])c1ccco1
N#Cc1ccc(Oc2ccnc(-c3ccccc3)n2)c(Cl)c1 c1ccc(cc1)[*:1] N#Cc1ccc(Oc2ccnc(n2)[*:1])c(Cl)c1
CCC[NH2+]CC(C)(C)COc1cccc(C)c1C CCC[*:1] Cc1cccc(OCC(C)(C)C[NH2+][*:1])c1C
CC(=O)c1cccc(/C=C/c2ccccc2)c1 CC(=O)[*:1] C(=C/c1cccc(c1)[*:1])\c1ccccc1
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N/N=C/c1ccc(F)cc1
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(Cl)cc1)NN=C[*:1]
C[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCCO1 Fc1ccccc1[*:1] C[C@H](NC(=O)N[C@@H]1CCCN(C1=O)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)N[C@@H]1CCCN(C1=O)c1ccccc1F)[*:1]
CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cn[nH]c1 c1ccc(cc1)[*:1] CC[C@H](C)N(C[*:1])C(=O)Nc1cn[nH]c1
CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cn[nH]c1 c1n[nH]cc1[*:1] CC[C@H](C)N(Cc1ccccc1)C(=O)N[*:1]
CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cn[nH]c1 CC[C@H](C)[*:1] O=C(Nc1cn[nH]c1)N(Cc1ccccc1)[*:1]
Cn1cc(Br)cc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1cc(Br)cc1C(=O)N1CCC[C@H]1[*:1]
Cn1cc(Br)cc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 Cn1cc(Br)cc1[*:1] O=C(N1CCC[C@@H]1c1ccc(F)cc1)[*:1]
Cc1cc(C)cc(CSCc2ccccc2/C(N)=N/O)c1 N/C(=N\O)[*:1] Cc1cc(C)cc(c1)CSCc1ccccc1[*:1]
Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nccnc3Oc3cccnc3)C2)o1 Cc1nc(C)c(o1)[*:1] O=C(N1CCC[C@H](C1)c1nccnc1Oc1cccnc1)[*:1]
Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nccnc3Oc3cccnc3)C2)o1 c1cncc(c1)[*:1] Cc1nc(C)c(o1)C(=O)N1CCC[C@H](C1)c1nccnc1O[*:1]
Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nccnc3Oc3cccnc3)C2)o1 c1cncc(c1)O[*:1] Cc1nc(C)c(o1)C(=O)N1CCC[C@H](C1)c1nccnc1[*:1]
Cc1cccc(NC(=O)/C(C#N)=C2\N=C(N)c3ccccc32)c1 Cc1cccc(c1)[*:1] N#C/C(C(=O)N[*:1])=C1/N=C(N)c2ccccc21
CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c(F)c1 CC[C@](C)(O)[*:1] Cc1ccc(cc1F)[C@@H](C)[NH2+]C[*:1]
COC(=O)NCC(=O)NCc1cn(-c2ccccc2)nn1 COC(=O)NC[*:1] O=C(NCc1cn(nn1)-c1ccccc1)[*:1]
COC(=O)NCC(=O)NCc1cn(-c2ccccc2)nn1 COC(=O)N[*:1] O=C(C[*:1])NCc1cn(nn1)-c1ccccc1
COC(=O)NCC(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] COC(=O)NCC(=O)NCc1cn(nn1)[*:1]
COc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1 CC(C)[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)[C@H](C#N)c1nc(cs1)[*:1]
COc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1 COc1ccc(cc1)[*:1] CC(C)c1csc(n1)[C@@H](C#N)C(=O)[C@H](C)O[*:1]
COc1ccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc(C(C)C)cs2)cc1 CC(C)c1csc(n1)[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)[C@H](C#N)[*:1]
C=C(C)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(OC)c1 C=C(C)CS[*:1] COc1ccc(cc1OC)-n1c(nnc1[*:1])-c1ccccc1
C=C(C)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(OC)c1 c1ccc(cc1)[*:1] C=C(C)CSc1nnc(n1-c1ccc(OC)c(c1)OC)[*:1]
C=C(C)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(OC)c1 C=C(C)C[*:1] COc1ccc(cc1OC)-n1c(nnc1-c1ccccc1)S[*:1]
C=C(C)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(OC)c1 C=C(C)[*:1] COc1ccc(cc1OC)-n1c(nnc1-c1ccccc1)SC[*:1]
CN(c1nc(N2CCOCC2)nc(N2CCOCC2)n1)n1cccc1 CN(n1cccc1)[*:1] C1CN(CCO1)c1nc(nc(n1)[*:1])N1CCOCC1
CN(c1nc(N2CCOCC2)nc(N2CCOCC2)n1)n1cccc1 C1CN(CCO1)[*:1] CN(c1nc(nc(n1)[*:1])N1CCOCC1)n1cccc1
Cc1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)ncc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1nc(ncc1[*:1])[C@@H]1CCCCN1C(=O)COc1ccc(F)cc1
Cc1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)ncc1C(=O)N(C)C Fc1ccc(cc1)OC[*:1] Cc1nc(ncc1C(=O)N(C)C)[C@@H]1CCCCN1C(=O)[*:1]
Cc1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)ncc1C(=O)N(C)C Fc1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)N(C)C)[C@@H]1CCCCN1C(=O)CO[*:1]
Cc1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)ncc1C(=O)N(C)C Fc1ccc(cc1)O[*:1] Cc1nc(ncc1C(=O)N(C)C)[C@@H]1CCCCN1C(=O)C[*:1]
COc1cc(N)ccc1S(=O)(=O)N(CC#N)CC#N N#CC[*:1] COc1cc(N)ccc1S(=O)(=O)N(CC#N)[*:1]
COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccs4)cc3n2)cc1Cl O=C(N[*:1])c1cccs1 COc1ccc(cc1Cl)-n1nc2cc(C)c(cc2n1)[*:1]
COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccs4)cc3n2)cc1Cl c1csc(c1)[*:1] COc1ccc(cc1Cl)-n1nc2cc(C)c(cc2n1)NC(=O)[*:1]
COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccs4)cc3n2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1cc2nn(nc2cc1NC(=O)c1cccs1)[*:1]
O=C(NCc1ccc(-c2nc3ccccc3s2)o1)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(NCc1ccc(o1)-c1nc2ccccc2s1)C1CCN(CC1)C(=O)[*:1]
O=C(NCc1ccc(-c2nc3ccccc3s2)o1)C1CCN(C(=O)c2cccs2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(NCc1ccc(o1)[*:1])C1CCN(CC1)C(=O)c1cccs1
Cn1nnnc1SCC(=O)N1CCC([C@H](O)c2ccccc2)CC1 O[C@H](c1ccccc1)[*:1] Cn1nnnc1SCC(=O)N1CCC(CC1)[*:1]
Cn1nnnc1SCC(=O)N1CCC([C@H](O)c2ccccc2)CC1 Cn1nnnc1SC[*:1] O=C(N1CCC(CC1)[C@H](O)c1ccccc1)[*:1]
Cn1nnnc1SCC(=O)N1CCC([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1nnnc1SCC(=O)N1CCC(CC1)[C@H](O)[*:1]
Cn1nnnc1SCC(=O)N1CCC([C@H](O)c2ccccc2)CC1 Cn1nnnc1S[*:1] O=C(C[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
Cn1nnnc1SCC(=O)N1CCC([C@H](O)c2ccccc2)CC1 Cn1nnnc1[*:1] O=C(CS[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
CN1N=C(C(C)(C)C)[C@H]2[C@H](c3ncc[nH]3)CC(=O)N[C@@H]21 CC(C)(C)[*:1] CN1N=C([C@H]2[C@@H](CC(=O)N[C@@H]21)c1ncc[nH]1)[*:1]
CN1N=C(C(C)(C)C)[C@H]2[C@H](c3ncc[nH]3)CC(=O)N[C@@H]21 c1c[nH]c(n1)[*:1] CN1N=C([C@@H]2[C@@H]1NC(=O)C[C@@H]2[*:1])C(C)(C)C
CC1(C)CC2(C[C@H](c3ccc4c(c3)OCO4)[C@H]1NC(=O)c1ccccc1)OCCO2 c1cc2OCOc2cc1[*:1] CC1(C)CC2(C[C@H]([C@H]1NC(=O)c1ccccc1)[*:1])OCCO2
CC1(C)CC2(C[C@H](c3ccc4c(c3)OCO4)[C@H]1NC(=O)c1ccccc1)OCCO2 O=C(N[*:1])c1ccccc1 CC1(C)CC2(C[C@H](c3ccc4OCOc4c3)[C@@H]1[*:1])OCCO2
CC1(C)CC2(C[C@H](c3ccc4c(c3)OCO4)[C@H]1NC(=O)c1ccccc1)OCCO2 c1ccc(cc1)[*:1] CC1(C)CC2(C[C@H](c3ccc4OCOc4c3)[C@H]1NC(=O)[*:1])OCCO2
COC(=O)CC1(CS(=O)(=O)N(C)[C@@H]2CCc3ccccc3C2)CC1 COC(=O)CC1(CC1)[*:1] CN([C@@H]1CCc2ccccc2C1)S(=O)(=O)C[*:1]
COC(=O)CC1(CS(=O)(=O)N(C)[C@@H]2CCc3ccccc3C2)CC1 COC(=O)[*:1] CN([C@@H]1CCc2ccccc2C1)S(=O)(=O)CC1(CC1)C[*:1]
COC(=O)CC1(CS(=O)(=O)N(C)[C@@H]2CCc3ccccc3C2)CC1 COC(=O)C[*:1] CN([C@@H]1CCc2ccccc2C1)S(=O)(=O)CC1(CC1)[*:1]
Cc1cccn2cc(CC(=O)Nc3cccc(S(=O)(=O)N4CCCCCC4)c3)[nH+]c12 O=S(=O)(N1CCCCCC1)[*:1] Cc1cccn2cc(CC(=O)Nc3cccc(c3)[*:1])[nH+]c12
NC(=S)c1nccn1-c1nccn(C2CC2)c1=O NC(=S)[*:1] O=c1c(nccn1C1CC1)-n1ccnc1[*:1]
NC(=S)c1nccn1-c1nccn(C2CC2)c1=O C1CC1[*:1] NC(=S)c1nccn1-c1nccn(c1=O)[*:1]
[NH3+][C@H]1CCCCC[C@H]1C(=O)N[C@H](c1ccccc1)C1CC1 C1CC1[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)N[C@H](c1ccccc1)[*:1]
[NH3+][C@H]1CCCCC[C@H]1C(=O)N[C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)N[C@H](C1CC1)[*:1]
O=C([C@@H]1COC2(CCCCC2)N1C(=O)c1cc(F)cc(F)c1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(c1cc(F)cc(F)c1)N1[C@@H](COC12CCCCC2)[*:1]
O=C([C@@H]1COC2(CCCCC2)N1C(=O)c1cc(F)cc(F)c1)N1CCOCC1 Fc1cc(F)cc(c1)[*:1] O=C([C@@H]1COC2(CCCCC2)N1C(=O)[*:1])N1CCOCC1
CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 CCCC[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)C(=O)N[C@@H]1CCC[C@H]1[*:1]
CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc2nc(oc2c1)[*:1]
CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 CCC[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)C(=O)N[C@@H]1CCC[C@H]1C[*:1]
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3nc(C)cs3)c2=O)c1 Cc1ccc(C)c(c1)[*:1] Cc1csc(n1)NC(=O)c1cccn(C[*:1])c1=O
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3nc(C)cs3)c2=O)c1 Cc1csc(n1)[*:1] Cc1ccc(C)c(c1)Cn1cccc(C(=O)N[*:1])c1=O
O=C(NCc1nnc2n1CCC2)N1CCN(c2ccc(O)cc2)CC1 C1Cc2nnc(n2C1)[*:1] O=C(NC[*:1])N1CCN(CC1)c1ccc(O)cc1
O=C(NCc1nnc2n1CCC2)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(NCc1nnc2CCCn21)N1CCN(CC1)[*:1]
CC(C)Cn1nnnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)Cn1nnnc1SCC(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)Cn1nnnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CC(C)C[*:1] O=C(CSc1nnnn1[*:1])Nc1ccc(F)c(c1)[N+](=O)[O-]
CC(C)Cn1nnnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CC(C)[*:1] O=C(CSc1nnnn1C[*:1])Nc1ccc(F)c(c1)[N+](=O)[O-]
COCCn1c(SCc2nc(C(C)(C)C)no2)nc2sc(C)c(C)c2c1=O CC(C)(C)[*:1] COCCn1c(nc2sc(C)c(C)c2c1=O)SCc1nc(no1)[*:1]
COCCn1c(SCc2nc(C(C)(C)C)no2)nc2sc(C)c(C)c2c1=O COCC[*:1] Cc1sc2nc(SCc3nc(no3)C(C)(C)C)n(c(=O)c2c1C)[*:1]
COCCn1c(SCc2nc(C(C)(C)C)no2)nc2sc(C)c(C)c2c1=O CC(C)(C)c1noc(n1)[*:1] COCCn1c(nc2sc(C)c(C)c2c1=O)SC[*:1]
COCCn1c(SCc2nc(C(C)(C)C)no2)nc2sc(C)c(C)c2c1=O COC[*:1] Cc1sc2nc(SCc3nc(no3)C(C)(C)C)n(C[*:1])c(=O)c2c1C
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2F)cc1 Cn1cccc1[*:1] Cc1ccc(cc1)-n1c(C[*:1])nnc1SCC(=O)Nc1ccccc1F
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-n1c(Cc2cccn2C)nnc1SCC(=O)N[*:1]
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2F)cc1 Cn1cccc1C[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)Nc1ccccc1F
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2F)cc1 O=C(Nc1ccccc1F)[*:1] Cc1ccc(cc1)-n1c(Cc2cccn2C)nnc1SC[*:1]
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2F)cc1 Cc1ccc(cc1)[*:1] Cn1cccc1Cc1nnc(SCC(=O)Nc2ccccc2F)n1[*:1]
CC(C)(C)n1cc(CNCCc2nnc3n2CCC3)cn1 CC(C)(C)[*:1] c1nn(cc1CNCCc1nnc2CCCn21)[*:1]
O=C(CSc1ncn[nH]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 c1n[nH]c(n1)SC[*:1] O=C(Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)[*:1]
O=C(CSc1ncn[nH]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 c1n[nH]c(n1)[*:1] O=C(CS[*:1])Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
O=C(CSc1ncn[nH]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 c1n[nH]c(n1)S[*:1] O=C(C[*:1])Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
O=C(CNc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(CNc1ccc(Br)cc1)Nc1ccc(cc1)[*:1]
O=C(CNc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 Brc1ccc(cc1)N[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(CNc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 Brc1ccc(cc1)[*:1] O=C(CN[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
CCS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 c1ccc2sc(nc2c1)[*:1] CCS(=O)(=O)c1ccc(cc1)CC(=O)N1CCC(CC1)[*:1]
CCS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 CCS(=O)(=O)[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCC(CC1)c1nc2ccccc2s1
C[NH+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)Cc1ccsc1 c1cc(cs1)[*:1] C[NH+](CC(=O)N1CCC(CC1)C(=O)Nc1ccccc1)C[*:1]
C[NH+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)Cc1ccsc1 c1ccc(cc1)[*:1] C[NH+](CC(=O)N1CCC(CC1)C(=O)N[*:1])Cc1ccsc1
O=C(NCc1ccccc1)c1cc(=O)n2c(nc3ccccc32)s1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1cc(=O)n2c(nc3ccccc32)s1
O=C(NCc1ccccc1)c1cc(=O)n2c(nc3ccccc32)s1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1cc(=O)n2c(nc3ccccc32)s1
O=C1NC2=C(C(=O)N(CC[NH+]3CCCC3)C2)[C@H](c2ccc(F)c(F)c2)N1 Fc1ccc(cc1F)[*:1] O=C1NC2CN(CC[NH+]3CCCC3)C(=O)C=2[C@H](N1)[*:1]
CC(C)(CNC(=O)CCc1nc(-c2ccncc2)no1)c1cccs1 CC(C)(c1cccs1)[*:1] O=C(CCc1nc(no1)-c1ccncc1)NC[*:1]
CC(C)(CNC(=O)CCc1nc(-c2ccncc2)no1)c1cccs1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)CCc1nc(no1)[*:1])c1cccs1
CC(C)(CNC(=O)CCc1nc(-c2ccncc2)no1)c1cccs1 c1csc(c1)[*:1] CC(C)(CNC(=O)CCc1nc(no1)-c1ccncc1)[*:1]
CC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@H](C)[C@@H]1CCCO1
CC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)cc1C C1CO[C@@H](C1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[C@H](C)[*:1]
N#C/C(=C/c1cccc(OCC(=O)[O-])c1)c1nc2ccccc2[nH]1 O=C([O-])[*:1] N#C/C(=C/c1cccc(c1)OC[*:1])c1nc2ccccc2[nH]1
N#C/C(=C/c1cccc(OCC(=O)[O-])c1)c1nc2ccccc2[nH]1 O=C([O-])CO[*:1] N#C/C(=C/c1cccc(c1)[*:1])c1nc2ccccc2[nH]1
N#C/C(=C/c1cccc(OCC(=O)[O-])c1)c1nc2ccccc2[nH]1 O=C([O-])C[*:1] N#C/C(=C/c1cccc(c1)O[*:1])c1nc2ccccc2[nH]1
C#Cc1cc(F)c(NC(=O)NCC2CCC(C(N)=O)CC2)c(F)c1 NC(=O)[*:1] C#Cc1cc(F)c(NC(=O)NCC2CCC(CC2)[*:1])c(F)c1
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1Cl CCO[*:1] CN(CC(=O)NN)S(=O)(=O)c1ccc(c(Cl)c1)[*:1]
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1Cl NNC(=O)C[*:1] CCOc1ccc(cc1Cl)S(=O)(=O)N(C)[*:1]
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1Cl NNC(=O)[*:1] CCOc1ccc(cc1Cl)S(=O)(=O)N(C)C[*:1]
S=c1n(C[NH+]2CCCCCCC2)nc(-c2cccnc2)n1C1CC1 C1CC1[*:1] S=c1n(C[NH+]2CCCCCCC2)nc(-c2cccnc2)n1[*:1]
S=c1n(C[NH+]2CCCCCCC2)nc(-c2cccnc2)n1C1CC1 c1cncc(c1)[*:1] S=c1n(C[NH+]2CCCCCCC2)nc(n1C1CC1)[*:1]
C[C@@H]1CN(C(=O)c2ccon2)CC[C@H]1[NH3+] c1cc(no1)[*:1] C[C@@H]1CN(CC[C@H]1[NH3+])C(=O)[*:1]
COc1ccc([C@@H](C)[NH2+]Cc2nc(C)sc2C)c(OC)c1 Cc1nc(c(C)s1)[*:1] COc1ccc(c(c1)OC)[C@@H](C)[NH2+]C[*:1]
O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N1CCOCC1 c1cc(co1)C[*:1] O=C1NCCN([C@H]1CC(=O)N1CCOCC1)[*:1]
O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N1CCOCC1 c1cc(co1)[*:1] O=C1NCCN(C[*:1])[C@H]1CC(=O)N1CCOCC1
O=c1[nH]cnc(Oc2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] O=c1[nH]cnc(Oc2ccccc2)c1[*:1]
COc1ccc(Cl)cc1N1/C(=N/C(=O)Cc2ccc(Cl)cc2)S[C@H]2CS(=O)(=O)C[C@@H]21 COc1ccc(Cl)cc1[*:1] O=C(Cc1ccc(Cl)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
COc1ccc(Cl)cc1N1/C(=N/C(=O)Cc2ccc(Cl)cc2)S[C@H]2CS(=O)(=O)C[C@@H]21 Clc1ccc(cc1)[*:1] COc1ccc(Cl)cc1N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
COc1ccc(Cl)cc1N1/C(=N/C(=O)Cc2ccc(Cl)cc2)S[C@H]2CS(=O)(=O)C[C@@H]21 Clc1ccc(cc1)C[*:1] COc1ccc(Cl)cc1N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
CCC(C)(C)C(=O)N1CCCCC[C@@H]1CC(C)=O CC(=O)C[*:1] CCC(C)(C)C(=O)N1CCCCC[C@H]1[*:1]
CCC(C)(C)C(=O)N1CCCCC[C@@H]1CC(C)=O CCC(C)(C)[*:1] CC(=O)C[C@H]1CCCCCN1C(=O)[*:1]
CCC(C)(C)C(=O)N1CCCCC[C@@H]1CC(C)=O CC(=O)[*:1] CCC(C)(C)C(=O)N1CCCCC[C@@H]1C[*:1]
O=S(=O)(/N=C(\[O-])CCc1cccc(Cl)c1)c1ccc(Cl)cc1 Clc1cccc(c1)[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])c1ccc(Cl)cc1
O=S(=O)(/N=C(\[O-])CCc1cccc(Cl)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])CCc1cccc(Cl)c1)[*:1]
Cc1cnc(CN2CCN(c3cccc(C)c3C)CC2)o1 Cc1cnc(C[*:1])o1 Cc1cccc(c1C)N1CCN(CC1)[*:1]
Cc1cnc(CN2CCN(c3cccc(C)c3C)CC2)o1 Cc1cnc(o1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C[*:1]
O=C(NCC(F)(F)F)c1ccccn1 FC(F)(F)[*:1] O=C(NC[*:1])c1ccccn1
CCc1c(C(N)=O)cnn1-c1ccc(NC(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CCc1c(cnn1-c1ccc(cc1)NC(=O)[*:1])C(N)=O
CCc1c(C(N)=O)cnn1-c1ccc(NC(=O)c2ccc(Br)cc2)cc1 NC(=O)[*:1] CCc1c(cnn1-c1ccc(cc1)NC(=O)c1ccc(Br)cc1)[*:1]
CCOc1c(Cl)cc(C(=O)N(CC)c2ccccc2C)cc1OC CCO[*:1] CCN(C(=O)c1cc(Cl)c(c(c1)OC)[*:1])c1ccccc1C
CCOc1c(Cl)cc(C(=O)N(CC)c2ccccc2C)cc1OC Cc1ccccc1[*:1] CCOc1c(Cl)cc(cc1OC)C(=O)N(CC)[*:1]
C[C@H](Sc1cc(Br)ccc1N)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1cc(Br)ccc1N)C(=O)N[*:1]
COc1ccc2nc(N3CCC[C@H](C(=O)NCCc4c[nH]c5ccccc45)C3)sc2c1 c1ccc2c(c[nH]c2c1)C[*:1] COc1ccc2nc(sc2c1)N1CCC[C@@H](C1)C(=O)NC[*:1]
COc1ccc2nc(N3CCC[C@H](C(=O)NCCc4c[nH]c5ccccc45)C3)sc2c1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc2nc(sc2c1)N1CCC[C@@H](C1)C(=O)NCC[*:1]
O=C(CCn1cccn1)Nc1cccc(CC[NH+]2CCCC2)c1 c1cnn(c1)[*:1] O=C(CC[*:1])Nc1cccc(c1)CC[NH+]1CCCC1
O=C(CCn1cccn1)Nc1cccc(CC[NH+]2CCCC2)c1 c1cnn(c1)C[*:1] O=C(C[*:1])Nc1cccc(c1)CC[NH+]1CCCC1
O=C(CCn1cccn1)Nc1cccc(CC[NH+]2CCCC2)c1 c1cnn(c1)CC[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
Cc1ccc(CCCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 Cc1ccc(cc1)CC[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(nc1)[N+](=O)[O-]
Cc1ccc(CCCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CCC[*:1])N1CCN(CC1)c1ccc(nc1)[N+](=O)[O-]
Cc1ccc(CCCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 O=[N+]([O-])c1ccc(cn1)[*:1] Cc1ccc(cc1)CCCC(=O)N1CCN(CC1)[*:1]
Cc1ccc(CCCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CCCC(=O)N1CCN(CC1)c1ccc(nc1)[*:1]
Cc1ccc(CCCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccc(nc1)[N+](=O)[O-]
O=C(Cc1ccc(F)cc1)NNC(=O)C1CCC(c2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NNC(=O)C1CCC(CC1)c1ccccc1
O=C(Cc1ccc(F)cc1)NNC(=O)C1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)NNC(=O)C1CCC(CC1)[*:1]
O=C(Cc1ccc(F)cc1)NNC(=O)C1CCC(c2ccccc2)CC1 Fc1ccc(cc1)C[*:1] O=C(NNC(=O)[*:1])C1CCC(CC1)c1ccccc1
Cc1ccc2c(c1)/C(=N\OC(=O)CCl)C(=O)N2Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc2c(c1)/C(=N\OC(=O)CCl)C(=O)N2Cc1cccc(c1)[*:1]
O=C(CSC1CCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 C1CCC(C1)S[*:1] O=C(C[*:1])NNC(=O)c1ccc(cc1)[N+](=O)[O-]
O=C(CSC1CCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 C1CCC(C1)SC[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(CSC1CCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(CSC1CCCC1)NNC(=O)c1ccc(cc1)[*:1]
O=C(CSC1CCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 C1CCC(C1)[*:1] O=C(CS[*:1])NNC(=O)c1ccc(cc1)[N+](=O)[O-]
C[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] C[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CCN(C1=O)[*:1]
C[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1C[*:1] C[C@H](C(=O)N[C@@H]1CCN(C1=O)c1ccccc1F)[*:1]
C[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] C[C@H](C[*:1])C(=O)N[C@@H]1CCN(C1=O)c1ccccc1F
CC(=O)c1ccc(N2CCN(Cc3oc(CO)cc(=O)c3[O-])CC2)cc1 CC(=O)[*:1] O=c1cc(CO)oc(CN2CCN(CC2)c2ccc(cc2)[*:1])c1[O-]
CC(=O)Nc1ccc(N[C@@H]2CCO[C@]3(CCSC3)C2)cc1 CC(=O)N[*:1] c1cc(ccc1N[C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
Cc1cc(C)n(C(=O)CSc2nnc(C(F)(F)F)n2-c2ccccc2)n1 FC(F)(F)[*:1] Cc1cc(C)n(n1)C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
Cc1cc(C)n(C(=O)CSc2nnc(C(F)(F)F)n2-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)C(=O)CSc1nnc(n1[*:1])C(F)(F)F
O=C(NCc1ccco1)c1cccc(Cn2cnc(C3CCC3)cc2=O)c1 c1coc(c1)C[*:1] O=C(N[*:1])c1cccc(c1)Cn1cnc(cc1=O)C1CCC1
O=C(NCc1ccco1)c1cccc(Cn2cnc(C3CCC3)cc2=O)c1 C1CC(C1)[*:1] O=C(NCc1ccco1)c1cccc(c1)Cn1cnc(cc1=O)[*:1]
O=C(NCc1ccco1)c1cccc(Cn2cnc(C3CCC3)cc2=O)c1 O=C(NCc1ccco1)[*:1] O=c1cc(ncn1Cc1cccc(c1)[*:1])C1CCC1
O=C(NCc1ccco1)c1cccc(Cn2cnc(C3CCC3)cc2=O)c1 c1coc(c1)[*:1] O=C(NC[*:1])c1cccc(c1)Cn1cnc(cc1=O)C1CCC1
Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N2CCOCC2)c1 Fc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N(C[*:1])c1cccc(c1)CC(=O)N1CCOCC1
Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N2CCOCC2)c1 Cc1ccccc1[*:1] O=C(Cc1cccc(c1)N(Cc1ccc(F)cc1)C(=O)[*:1])N1CCOCC1
Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N2CCOCC2)c1 O=C(C[*:1])N1CCOCC1 Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1cccc(c1)[*:1]
Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N2CCOCC2)c1 Fc1ccc(cc1)C[*:1] Cc1ccccc1C(=O)N(c1cccc(c1)CC(=O)N1CCOCC1)[*:1]
Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N2CCOCC2)c1 O=C(N1CCOCC1)[*:1] Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1cccc(c1)C[*:1]
COc1ccccc1NC(=O)/C=c1\s/c(=C\c2cccc(OC)c2OC(C)C)c(=O)n1C COc1ccccc1[*:1] COc1cccc(/C=c2\s/c(=C\C(=O)N[*:1])n(C)c2=O)c1OC(C)C
COc1ccccc1NC(=O)/C=c1\s/c(=C\c2cccc(OC)c2OC(C)C)c(=O)n1C CC(C)O[*:1] COc1ccccc1NC(=O)/C=c1\s/c(=C\c2cccc(OC)c2[*:1])c(=O)n1C
COc1ccccc1NC(=O)/C=c1\s/c(=C\c2cccc(OC)c2OC(C)C)c(=O)n1C CC(C)[*:1] COc1ccccc1NC(=O)/C=c1\s/c(=C\c2cccc(OC)c2O[*:1])c(=O)n1C
CC(C)[C@@H](NC(=O)Cn1c(C2CCCCC2)nc2ccccc21)C(N)=O CC(C)[*:1] NC(=O)[C@H](NC(=O)Cn1c(nc2ccccc21)C1CCCCC1)[*:1]
CC(C)[C@@H](NC(=O)Cn1c(C2CCCCC2)nc2ccccc21)C(N)=O NC(=O)[*:1] CC(C)[C@@H](NC(=O)Cn1c(nc2ccccc21)C1CCCCC1)[*:1]
CC(C)[C@@H](NC(=O)Cn1c(C2CCCCC2)nc2ccccc21)C(N)=O C1CCC(CC1)[*:1] CC(C)[C@@H](NC(=O)Cn1c(nc2ccccc21)[*:1])C(N)=O
CN(C)C(=O)c1cccc(NC(=O)C[NH2+]C2CCCCC2)c1 C1CCC(CC1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)C[NH2+][*:1]
CN(C)C(=O)c1cccc(NC(=O)C[NH2+]C2CCCCC2)c1 CN(C)C(=O)[*:1] O=C(C[NH2+]C1CCCCC1)Nc1cccc(c1)[*:1]
Cc1ccccc1Cn1c(=O)c2c(nc3n(CCO)c(C)cn23)n(C)c1=O Cc1ccccc1C[*:1] Cc1cn2c3c(=O)n(c(=O)n(C)c3nc2n1CCO)[*:1]
Cc1ccccc1Cn1c(=O)c2c(nc3n(CCO)c(C)cn23)n(C)c1=O OCC[*:1] Cc1ccccc1Cn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
Cc1ccccc1Cn1c(=O)c2c(nc3n(CCO)c(C)cn23)n(C)c1=O Cc1ccccc1[*:1] Cc1cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1CCO
O=C(CC[C@H]1CCOC1=O)Nc1c[nH+]c2n1CCCC2 O=C1OCC[C@@H]1[*:1] O=C(CC[*:1])Nc1c[nH+]c2CCCCn12
CC(=O)Nc1cccc(NC(=O)NCCc2cnn(-c3ccccc3)c2)c1 CC(=O)N[*:1] O=C(NCCc1cnn(c1)-c1ccccc1)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)NCCc2cnn(-c3ccccc3)c2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)NCCc1cnn(c1)[*:1]
CC(C)[C@@H](C)N(C(=O)[C@H]1SCCc2sccc21)C1CC1 CC(C)[*:1] C[C@@H](N(C(=O)[C@H]1SCCc2sccc21)C1CC1)[*:1]
CC(C)[C@@H](C)N(C(=O)[C@H]1SCCc2sccc21)C1CC1 C1CC1[*:1] CC(C)[C@@H](C)N(C(=O)[C@H]1SCCc2sccc21)[*:1]
CC(C)[C@@H](C)N(C(=O)[C@H]1SCCc2sccc21)C1CC1 CC(C)[C@@H](C)[*:1] O=C([C@H]1SCCc2sccc21)N(C1CC1)[*:1]
CC(=O)Nc1ccc(/C(C)=N/OCc2ccc(C(F)(F)F)cc2)cc1 CC(=O)N[*:1] C/C(=N\OCc1ccc(cc1)C(F)(F)F)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(/C(C)=N/OCc2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] CC(=O)Nc1ccc(cc1)/C(C)=N/OCc1ccc(cc1)[*:1]
C=CCNC(=O)CSCc1ncoc1C(C)C CC(C)[*:1] C=CCNC(=O)CSCc1ncoc1[*:1]
C=CCNC(=O)CSCc1ncoc1C(C)C C=CC[*:1] CC(C)c1ocnc1CSCC(=O)N[*:1]
Cc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-n1nnnc1SCC(=O)N[C@H](C)[*:1]
Cc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2ccco2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nnnn1[*:1])c1ccco1
Cc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2ccco2)cc1 C[C@H](c1ccco1)[*:1] Cc1ccc(cc1)-n1nnnc1SCC(=O)N[*:1]
CC[C@@H](NC(=O)Nc1cc(C#N)ccc1Cl)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H](NC(=O)Nc1cc(C#N)ccc1Cl)[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@@H]2Br Clc1cccc(c1)[*:1] CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(CC1)[*:1])[C@@H]2Br
CSc1cccc(NC(=O)C(=O)NCCc2ccsc2)c1 c1cc(cs1)CC[*:1] CSc1cccc(c1)NC(=O)C(=O)N[*:1]
CSc1cccc(NC(=O)C(=O)NCCc2ccsc2)c1 c1cc(cs1)[*:1] CSc1cccc(c1)NC(=O)C(=O)NCC[*:1]
CSc1cccc(NC(=O)C(=O)NCCc2ccsc2)c1 c1cc(cs1)C[*:1] CSc1cccc(c1)NC(=O)C(=O)NC[*:1]
C[C@H](NC(=O)N1CCC[C@@H](C)[C@@H]1C)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H](NC(=O)N1CCC[C@@H](C)[C@@H]1C)c1ccc(cc1)[*:1]
COC(=O)[C@@H]1[NH+]=c2ccccc2=C1NC(=O)c1c(F)cccc1F Fc1cccc(F)c1[*:1] COC(=O)[C@@H]1[NH+]=c2ccccc2=C1NC(=O)[*:1]
COC(=O)[C@@H]1[NH+]=c2ccccc2=C1NC(=O)c1c(F)cccc1F COC(=O)[*:1] O=C(NC1=c2ccccc2=[NH+][C@H]1[*:1])c1c(F)cccc1F
CCOCc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1 CCOC[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCc2cc(F)ccc2C1
CCOCc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)C[*:1])N1CCc2cc(F)ccc2C1
COc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c(OC(F)F)c1 FC(F)[*:1] COc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c(c1)O[*:1]
COc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c(OC(F)F)c1 FC(F)O[*:1] COc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c(c1)[*:1]
Cc1ccc2cccc(C(=O)Nc3cc(C(N)=O)ccc3Cl)c2n1 NC(=O)[*:1] Cc1ccc2cccc(C(=O)Nc3cc(ccc3Cl)[*:1])c2n1
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)NCc2cccc(C#N)c2)CC1 N#Cc1cccc(c1)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NC[*:1]
Cc1cc([C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)C(C)C)c(C)s1 Cc1cc(c(C)s1)[*:1] CC(C)[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[*:1]
Cc1cc([C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)C(C)C)c(C)s1 CC(C)[*:1] Cc1cc(c(C)s1)[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[*:1]
CCOCc1ccccc1CNS(=O)(=O)c1ccccc1F CCO[*:1] O=S(=O)(NCc1ccccc1C[*:1])c1ccccc1F
CCOCc1ccccc1CNS(=O)(=O)c1ccccc1F CCOC[*:1] O=S(=O)(NCc1ccccc1[*:1])c1ccccc1F
CCOCc1ccccc1CNS(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] CCOCc1ccccc1CNS(=O)(=O)[*:1]
Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(C(=O)[C@@H]1CC(=O)c3ccccc31)C2 Cc1ncsc1CC[*:1] O=C1C[C@@H](C(=O)N2CCc3c(C2)c(nn3[*:1])C(=O)NC2CC2)c2ccccc21
Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(C(=O)[C@@H]1CC(=O)c3ccccc31)C2 Cc1ncsc1C[*:1] O=C1C[C@@H](C(=O)N2CCc3c(C2)c(nn3C[*:1])C(=O)NC2CC2)c2ccccc21
Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(C(=O)[C@@H]1CC(=O)c3ccccc31)C2 Cc1ncsc1[*:1] O=C1C[C@@H](C(=O)N2CCc3c(C2)c(nn3CC[*:1])C(=O)NC2CC2)c2ccccc21
Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(C(=O)[C@@H]1CC(=O)c3ccccc31)C2 C1CC1[*:1] Cc1ncsc1CCn1nc(C(=O)N[*:1])c2CN(CCc21)C(=O)[C@@H]1CC(=O)c2ccccc21
Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(C(=O)[C@@H]1CC(=O)c3ccccc31)C2 O=C(NC1CC1)[*:1] Cc1ncsc1CCn1nc(c2CN(CCc21)C(=O)[C@@H]1CC(=O)c2ccccc21)[*:1]
O=C(Nc1cc(Cl)ccc1Cl)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 Clc1ccc(Cl)c(c1)[*:1] O=C(N[*:1])c1sccc1S(=O)(=O)N1CCc2ccccc2C1
CCCNc1nsnc1Cc1nccs1 CCC[*:1] c1csc(Cc2nsnc2N[*:1])n1
CCCNc1nsnc1Cc1nccs1 c1csc(n1)[*:1] CCCNc1nsnc1C[*:1]
CCCNc1nsnc1Cc1nccs1 CCCN[*:1] c1csc(Cc2nsnc2[*:1])n1
Cc1cccc(CN(Cc2ccccn2)Cc2ccnn2C)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)CN(Cc1ccnn1C)C[*:1]
Cc1cccc(CN(Cc2ccccn2)Cc2ccnn2C)c1 Cn1nccc1C[*:1] Cc1cccc(c1)CN(Cc1ccccn1)[*:1]
Cc1cccc(CN(Cc2ccccn2)Cc2ccnn2C)c1 c1ccc(C[*:1])nc1 Cc1cccc(c1)CN(Cc1ccnn1C)[*:1]
Cc1cccc(CN(Cc2ccccn2)Cc2ccnn2C)c1 Cc1cccc(c1)[*:1] Cn1nccc1CN(Cc1ccccn1)C[*:1]
Cc1cccc(CN(Cc2ccccn2)Cc2ccnn2C)c1 Cn1nccc1[*:1] Cc1cccc(c1)CN(Cc1ccccn1)C[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc3c(C)n[nH]c3c2)cc1 CCO[*:1] Cc1n[nH]c2cc(ccc12)NS(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@@H](C)OC(=O)[*:1]
CC[C@@H](NC(=O)N1CCO[C@H](C#N)C1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N1CCO[C@H](C#N)C1)[*:1]
N#Cc1ccccc1N1CCCN(Cc2cccn2Cc2cccs2)CC1 N#Cc1ccccc1[*:1] c1csc(c1)Cn1cccc1CN1CCCN(CC1)[*:1]
N#Cc1ccccc1N1CCCN(Cc2cccn2Cc2cccs2)CC1 c1csc(c1)[*:1] N#Cc1ccccc1N1CCCN(CC1)Cc1cccn1C[*:1]
N#Cc1ccccc1N1CCCN(Cc2cccn2Cc2cccs2)CC1 c1csc(c1)C[*:1] N#Cc1ccccc1N1CCCN(CC1)Cc1cccn1[*:1]
CCOCC(=O)N1CCOC[C@H]1C1CC1 CCO[*:1] O=C(C[*:1])N1CCOC[C@H]1C1CC1
CCOCC(=O)N1CCOC[C@H]1C1CC1 CCOC[*:1] O=C(N1CCOC[C@H]1C1CC1)[*:1]
CCOCC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] CCOCC(=O)N1CCOC[C@@H]1[*:1]
C[NH2+][C@@H]1COC[C@H]1C(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] C[NH2+][C@@H]1COC[C@H]1C(=O)N(C)C[*:1]
C[NH2+][C@@H]1COC[C@H]1C(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] C[NH2+][C@@H]1COC[C@H]1C(=O)N(C)CC[*:1]
CCn1cc(S(=O)(=O)N[C@@H](Cc2ccsc2)c2cccnc2)cn1 c1cc(cs1)[*:1] CCn1cc(cn1)S(=O)(=O)N[C@@H](C[*:1])c1cccnc1
CCn1cc(S(=O)(=O)N[C@@H](Cc2ccsc2)c2cccnc2)cn1 CCn1cc(cn1)[*:1] O=S(=O)(N[C@@H](Cc1ccsc1)c1cccnc1)[*:1]
CCn1cc(S(=O)(=O)N[C@@H](Cc2ccsc2)c2cccnc2)cn1 c1cncc(c1)[*:1] CCn1cc(cn1)S(=O)(=O)N[C@@H](Cc1ccsc1)[*:1]
CCn1cc(S(=O)(=O)N[C@@H](Cc2ccsc2)c2cccnc2)cn1 c1cc(cs1)C[*:1] CCn1cc(cn1)S(=O)(=O)N[C@@H](c1cccnc1)[*:1]
CCOCCn1/c(=N/C(=O)CC)sc2cc(Cl)ccc21 CCOC[*:1] CCC(=O)/N=c1\sc2cc(Cl)ccc2n1C[*:1]
CCOCCn1/c(=N/C(=O)CC)sc2cc(Cl)ccc21 CCO[*:1] CCC(=O)/N=c1\sc2cc(Cl)ccc2n1CC[*:1]
CCOCCn1/c(=N/C(=O)CC)sc2cc(Cl)ccc21 CCOCC[*:1] CCC(=O)/N=c1\sc2cc(Cl)ccc2n1[*:1]
C=CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1 C=CCO[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1ccc2OCOc2c1
C=CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1 C=CC[*:1] O=C(/C=C/c1ccc(cc1)O[*:1])Nc1ccc2OCOc2c1
Cc1cc(C)n2nc(C(=O)N/N=C\c3ccccc3C)nc2n1 Cc1ccccc1[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)NN=C[*:1]
O=C(/C=C/c1nccs1)Nc1ccc(Sc2nncs2)cc1 C(=C[*:1])c1nccs1 O=C(Nc1ccc(cc1)Sc1nncs1)[*:1]
O=C(/C=C/c1nccs1)Nc1ccc(Sc2nncs2)cc1 c1nnc(S[*:1])s1 O=C(/C=C/c1nccs1)Nc1ccc(cc1)[*:1]
O=C(/C=C/c1nccs1)Nc1ccc(Sc2nncs2)cc1 c1nnc(s1)[*:1] O=C(/C=C/c1nccs1)Nc1ccc(cc1)S[*:1]
O=C(/C=C/c1nccs1)Nc1ccc(Sc2nncs2)cc1 c1csc(n1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)Sc1nncs1
Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(CO)o1)C2 Cc1noc(C)c1C[*:1] O=C(c1ccc(CO)o1)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(CO)o1)C2 OCc1ccc(o1)[*:1] Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)[*:1]
Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(CO)o1)C2 Cc1noc(C)c1[*:1] O=C(c1ccc(CO)o1)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
Cc1cc(N2CCCC2)nc2sc3c(=O)n(CC(=O)[O-])cnc3c12 C1CCN(C1)[*:1] Cc1cc(nc2sc3c(=O)n(cnc3c12)CC(=O)[O-])[*:1]
Cc1cc(N2CCCC2)nc2sc3c(=O)n(CC(=O)[O-])cnc3c12 O=C([O-])[*:1] Cc1cc(nc2sc3c(=O)n(cnc3c12)C[*:1])N1CCCC1
Cc1cc(N2CCCC2)nc2sc3c(=O)n(CC(=O)[O-])cnc3c12 O=C([O-])C[*:1] Cc1cc(nc2sc3c(=O)n(cnc3c12)[*:1])N1CCCC1
C[NH+](Cc1cc(C#N)cs1)CC1CCCC1 C1CCC(C1)[*:1] C[NH+](Cc1cc(C#N)cs1)C[*:1]
C[NH+](C)C[C@@]1(O)CCN(C(=O)Cn2c(C3CC3)nc3ccccc32)C1 C1CC1[*:1] C[NH+](C)C[C@@]1(O)CCN(C1)C(=O)Cn1c(nc2ccccc21)[*:1]
CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)ccc21 CC(C)(C)[*:1] O=C(Nc1ccc2c(c1)CCCN2C(=O)O[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
COC(=O)[C@@H]1CCCCN1Cc1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H]1CCCCN1Cc1ccn(n1)[*:1]
COC(=O)[C@@H]1CCCCN1Cc1ccn(-c2ccc(F)cc2)n1 COC(=O)[*:1] Fc1ccc(cc1)-n1ccc(CN2CCCC[C@H]2[*:1])n1
CCN(Cc1ccccn1)[C@@H](C[NH3+])[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CCN(Cc1ccccn1)[C@@H](C[NH3+])[*:1]
CCN(Cc1ccccn1)[C@@H](C[NH3+])[C@@H]1CCOC1 c1ccc(nc1)[*:1] CCN(C[*:1])[C@@H](C[NH3+])[C@@H]1CCOC1
N#C[C@@H](C(=O)C1(c2ccccc2)CC1)c1ccc(F)cn1 c1ccc(cc1)[*:1] N#C[C@@H](C(=O)C1(CC1)[*:1])c1ccc(F)cn1
N#C[C@@H](C(=O)C1(c2ccccc2)CC1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@@H](C(=O)C1(CC1)c1ccccc1)[*:1]
CCOc1ccccc1NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 Cc1cc(c(C)o1)[*:1] CCOc1ccccc1NC(=O)c1cc(nc2onc(C)c12)[*:1]
CCOc1ccccc1NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 CCOc1ccccc1[*:1] Cc1cc(-c2cc(C(=O)N[*:1])c3c(C)noc3n2)c(C)o1
CCOc1ccccc1NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 CCO[*:1] Cc1cc(-c2cc(C(=O)Nc3ccccc3[*:1])c3c(C)noc3n2)c(C)o1
CCCNC(=O)c1ccc(Oc2ccc(C)cc2)cc1 CCCNC(=O)[*:1] Cc1ccc(cc1)Oc1ccc(cc1)[*:1]
CCCNC(=O)c1ccc(Oc2ccc(C)cc2)cc1 CCC[*:1] Cc1ccc(cc1)Oc1ccc(cc1)C(=O)N[*:1]
COc1ccccc1-c1nnc(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)o1 CC(=O)[*:1] COc1ccccc1-c1nnc(o1)SCC(=O)c1[nH]c(C)c(c1C)[*:1]
COc1ccccc1-c1nnc(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)o1 COc1ccccc1[*:1] CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(o2)[*:1])c1C
CCNC(=O)c1cccc(NC(=O)N[C@H](C)c2cn(C)nc2C)c1 Cc1nn(C)cc1[*:1] CCNC(=O)c1cccc(c1)NC(=O)N[C@H](C)[*:1]
CCNC(=O)c1cccc(NC(=O)N[C@H](C)c2cn(C)nc2C)c1 CCNC(=O)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
CCOc1cccc(CNCCc2ccc(Cl)cc2Cl)c1 CCO[*:1] Clc1ccc(CCNCc2cccc(c2)[*:1])c(Cl)c1
CCC(=O)c1cccc(NC(=O)N2CCC(OCc3ccccc3F)CC2)c1 Fc1ccccc1[*:1] CCC(=O)c1cccc(c1)NC(=O)N1CCC(CC1)OC[*:1]
CCC(=O)c1cccc(NC(=O)N2CCC(OCc3ccccc3F)CC2)c1 Fc1ccccc1C[*:1] CCC(=O)c1cccc(c1)NC(=O)N1CCC(CC1)O[*:1]
CCC(=O)c1cccc(NC(=O)N2CCC(OCc3ccccc3F)CC2)c1 CCC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC(CC1)OCc1ccccc1F
CCC(=O)c1cccc(NC(=O)N2CCC(OCc3ccccc3F)CC2)c1 Fc1ccccc1CO[*:1] CCC(=O)c1cccc(c1)NC(=O)N1CCC(CC1)[*:1]
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCc2nc(C)cs2)c1 Cc1csc(n1)[*:1] COc1ccc(OC2CC[NH+](CC2)C2CCCC2)c(c1)C(=O)NC[*:1]
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCc2nc(C)cs2)c1 Cc1csc(C[*:1])n1 COc1ccc(OC2CC[NH+](CC2)C2CCCC2)c(c1)C(=O)N[*:1]
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCc2nc(C)cs2)c1 Cc1csc(CNC(=O)[*:1])n1 COc1ccc(OC2CC[NH+](CC2)C2CCCC2)c(c1)[*:1]
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1n[nH]c(=O)c2ccccc12 Fc1cccc(F)c1[*:1] CCN(CC(=O)N[*:1])C(=O)Cc1n[nH]c(=O)c2ccccc12
COc1ccccc1CNC(=O)C[C@H]1C(=O)N(Cc2ccccc2)[C@H](C)c2nc3ccccc3n21 c1ccc(cc1)[*:1] COc1ccccc1CNC(=O)C[C@H]1C(=O)N(C[*:1])[C@H](C)c2nc3ccccc3n21
COc1ccccc1CNC(=O)C[C@H]1C(=O)N(Cc2ccccc2)[C@H](C)c2nc3ccccc3n21 COc1ccccc1[*:1] C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NC[*:1])C(=O)N1Cc1ccccc1
COc1ccccc1CNC(=O)C[C@H]1C(=O)N(Cc2ccccc2)[C@H](C)c2nc3ccccc3n21 c1ccc(cc1)C[*:1] COc1ccccc1CNC(=O)C[C@H]1C(=O)N([C@H](C)c2nc3ccccc3n21)[*:1]
COc1ccccc1CNC(=O)C[C@H]1C(=O)N(Cc2ccccc2)[C@H](C)c2nc3ccccc3n21 COc1ccccc1C[*:1] C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)N[*:1])C(=O)N1Cc1ccccc1
Cc1nc2nc(SCC(=O)NCc3cccs3)nn2c(C)c1Cc1c(F)cccc1Cl O=C(NCc1cccs1)[*:1] Cc1nc2nc(nn2c(C)c1Cc1c(F)cccc1Cl)SC[*:1]
Cc1nc2nc(SCC(=O)NCc3cccs3)nn2c(C)c1Cc1c(F)cccc1Cl c1csc(c1)C[*:1] Cc1nc2nc(nn2c(C)c1Cc1c(F)cccc1Cl)SCC(=O)N[*:1]
Cc1nc2nc(SCC(=O)NCc3cccs3)nn2c(C)c1Cc1c(F)cccc1Cl c1csc(c1)[*:1] Cc1nc2nc(nn2c(C)c1Cc1c(F)cccc1Cl)SCC(=O)NC[*:1]
Cc1nc2nc(SCC(=O)NCc3cccs3)nn2c(C)c1Cc1c(F)cccc1Cl O=C(C[*:1])NCc1cccs1 Cc1nc2nc(nn2c(C)c1Cc1c(F)cccc1Cl)S[*:1]
Cc1nc2nc(SCC(=O)NCc3cccs3)nn2c(C)c1Cc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] Cc1nc2nc(nn2c(C)c1C[*:1])SCC(=O)NCc1cccs1
Cc1nc2nc(SCC(=O)NCc3cccs3)nn2c(C)c1Cc1c(F)cccc1Cl Fc1cccc(Cl)c1C[*:1] Cc1nc2nc(nn2c(C)c1[*:1])SCC(=O)NCc1cccs1
CC[C@@H](Sc1nnnn1C1CCCCC1)C(=O)NCc1ccccc1 C1CCC(CC1)[*:1] CC[C@@H](Sc1nnnn1[*:1])C(=O)NCc1ccccc1
CC[C@@H](Sc1nnnn1C1CCCCC1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](Sc1nnnn1C1CCCCC1)C(=O)NC[*:1]
CC[C@@H](Sc1nnnn1C1CCCCC1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H](Sc1nnnn1C1CCCCC1)C(=O)N[*:1]
CC[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)C[*:1] CC[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H](c1ccccc1)[*:1]
CC[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H](CS(C)(=O)=O)[*:1]
CC[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)[*:1] CC[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H](C[*:1])c1ccccc1
CCNC(=O)CNc1ccc(CC)c(CC)c1 CCNC(=O)[*:1] CCc1ccc(cc1CC)NC[*:1]
O=c1cc(CNC[C@H](O)c2ccccc2)[nH]c2ccc(F)cc12 c1ccc(cc1)[*:1] O=c1cc(CNC[C@H](O)[*:1])[nH]c2ccc(F)cc12
CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccnc(N(C)C)c1 CC(C)OC(=O)[*:1] C[C@@H](CNC(=O)c1ccnc(c1)N(C)C)[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccnc(N(C)C)c1 CN(C)[*:1] CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccnc(c1)[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccnc(N(C)C)c1 CC(C)[*:1] C[C@@H](CNC(=O)c1ccnc(c1)N(C)C)C(=O)O[*:1]
CCNC(=O)c1cccc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 CCNC(=O)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)NCc1cccc(c1)[*:1]
COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)cc1OC COc1ccc(cc1OC)[*:1] C[C@@H]1Oc2ccc(cc2N(C)C1=O)-c1csc(n1)NC(=O)[*:1]
Cc1c(Cl)cccc1N[C@@H](C)C(=O)NCC(C)C CC(C)C[*:1] Cc1c(Cl)cccc1N[C@@H](C)C(=O)N[*:1]
Cc1c(Cl)cccc1N[C@@H](C)C(=O)NCC(C)C CC(C)[*:1] Cc1c(Cl)cccc1N[C@@H](C)C(=O)NC[*:1]
CCOC(=O)C1([NH+](C)Cc2ccc(C#N)o2)CCCCC1 N#Cc1ccc(o1)[*:1] CCOC(=O)C1(CCCCC1)[NH+](C)C[*:1]
CCOC(=O)C1([NH+](C)Cc2ccc(C#N)o2)CCCCC1 CCOC(=O)[*:1] C[NH+](Cc1ccc(C#N)o1)C1(CCCCC1)[*:1]
Cc1ccc(C(=O)Nc2cc(F)c(F)cc2Cl)s1 Cc1ccc(s1)[*:1] O=C(Nc1cc(F)c(F)cc1Cl)[*:1]
Cc1nn([C@H](C)C(=O)N[C@@H](C)c2ccccc2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(c(C)c1[*:1])[C@H](C)C(=O)N[C@@H](C)c1ccccc1
Cc1nn([C@H](C)C(=O)N[C@@H](C)c2ccccc2)c(C)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nn(c(C)c1[N+](=O)[O-])[C@H](C)C(=O)N[C@@H](C)[*:1]
CCOc1ccc(-c2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)nn1 CCOc1ccc(nn1)[*:1] COc1ccc(cc1OC)C(=O)Nc1cccc(c1)[*:1]
CCOc1ccc(-c2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)nn1 CCO[*:1] COc1ccc(cc1OC)C(=O)Nc1cccc(c1)-c1ccc(nn1)[*:1]
C[C@H](C(=O)[O-])n1c(=O)ssc1=O O=C([O-])[*:1] C[C@H](n1c(=O)ssc1=O)[*:1]
Cc1n[nH]c2cc(NC(=O)c3ccccc3S(C)(=O)=O)ccc12 CS(=O)(=O)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)c1ccccc1[*:1]
Fc1ccc2ncnc(NCCc3cnn(-c4ccccc4)c3)c2c1 c1ccc(cc1)[*:1] Fc1ccc2ncnc(NCCc3cnn(c3)[*:1])c2c1
CC(C)(C)C(=O)N1CCN(Cc2csc3ccccc23)CC1 CC(C)(C)[*:1] O=C(N1CCN(CC1)Cc1csc2ccccc12)[*:1]
Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 Cc1ccccc1[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1cccc(F)c1)OC(=O)[*:1]
Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2[*:1]
Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 Cc1ccccc1C(=O)O[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1cccc(F)c1)[*:1]
CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C CCOC(=O)[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1C[*:1]
CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C CCOC(=O)C[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1[*:1]
CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C c1ccc(cc1)[*:1] CCOC(=O)Cc1c(C)nc2c(c(C)nn2c1C)[*:1]
Cc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)[*:1] Cc1ccc(cc1)Cn1c(cnc1SCC(=O)N[*:1])CO
Cc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1ncc(CO)n1C[*:1]
Cc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1ncc(CO)n1[*:1]
NS(=O)(=O)c1cc(F)cc(C(=O)NC[C@H]2CC=CCC2)c1 NS(=O)(=O)[*:1] O=C(NC[C@H]1CC=CCC1)c1cc(F)cc(c1)[*:1]
O=C1C[C@@H](C(=O)Nc2cccnc2Cl)c2ccccc2N1 Clc1ncccc1[*:1] O=C1C[C@@H](C(=O)N[*:1])c2ccccc2N1
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc12 Fc1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[*:1]
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc12 c1ccc(cc1)[*:1] Cc1nn(-c2ccc(F)cc2)c2sc(cc12)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
O=C(N[C@H]1C=C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl O=C([O-])[*:1] O=C(N[C@H]1C=C[C@H](C1)[*:1])c1ccc(Cl)cc1Cl
C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2-n2cccn2)cc1 C=CC[*:1] O=C(Nc1ccc(cc1)NC(=O)c1ccccc1-n1cccn1)N[*:1]
C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2-n2cccn2)cc1 c1cnn(c1)[*:1] C=CCNC(=O)Nc1ccc(cc1)NC(=O)c1ccccc1[*:1]
C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2-n2cccn2)cc1 C=CCNC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1-n1cccn1
CC(=O)Nc1c(C)cc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)NC1(CC1)c1ccc(Cl)cc1
CC(=O)Nc1c(C)cc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1C Clc1ccc(cc1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)NC1(CC1)[*:1]
Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cn(-c2ccccc2)nn1 O=[N+]([O-])[*:1] Cc1cc(ccc1C(=O)NCc1cn(nn1)-c1ccccc1)[*:1]
Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] Cc1cc(ccc1C(=O)NCc1cn(nn1)[*:1])[N+](=O)[O-]
CCCN[C@@]1(C#N)CCC[C@H](n2cc[nH+]c2C(C)C)C1 CCCN[*:1] CC(C)c1[nH+]ccn1[C@H]1CCC[C@](C#N)(C1)[*:1]
CCCN[C@@]1(C#N)CCC[C@H](n2cc[nH+]c2C(C)C)C1 CC(C)[*:1] CCCN[C@@]1(C#N)CCC[C@@H](C1)n1cc[nH+]c1[*:1]
CCCN[C@@]1(C#N)CCC[C@H](n2cc[nH+]c2C(C)C)C1 CCC[*:1] CC(C)c1[nH+]ccn1[C@H]1CCC[C@@](C#N)(C1)N[*:1]
CCCc1cc(C(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2C)cs1 CCCc1cc(cs1)[*:1] Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)[*:1]
CCCc1cc(C(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2C)cs1 CCC[*:1] Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1csc(c1)[*:1]
Cc1cccc(C)c1NC(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C Cc1cccc(C)c1[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)N[*:1]
Cc1cccc(C)c1NC(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1cccc(C)c1NC(=O)NC[C@@H]1CCCCN1C(=O)O[*:1]
CCC1(CNC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)CC1 CCC1(CC1)C[*:1] COC[C@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
CCC1(CNC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)CC1 CCC1(CC1)[*:1] COC[C@H](NC(=O)NC[*:1])c1ccc(F)c(F)c1
CCC1(CNC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)CC1 COC[*:1] CCC1(CC1)CNC(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
CCC1(CC)CCN(c2nc(C)c(C(C)=O)s2)C1 CC(=O)[*:1] CCC1(CC)CCN(C1)c1nc(C)c(s1)[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCc3cc(=O)oc4cc(O)ccc34)nnc12 C=CC[*:1] O=c1cc(CSc2nnc3n(c(=O)c4ccccc4n23)[*:1])c2ccc(O)cc2o1
CCCC1=NN(c2ccc(Cl)c(F)c2)C(=O)C1 CCC[*:1] O=C1CC(=NN1c1ccc(Cl)c(F)c1)[*:1]
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cscc2C)C1 O=C([O-])[*:1] CO[C@H]1C[C@@H](N(C1)C(=O)c1cscc1C)[*:1]
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cscc2C)C1 Cc1cscc1[*:1] CO[C@H]1C[C@@H](C(=O)[O-])N(C1)C(=O)[*:1]
CC(C)(C)OC(=O)N1CCC2(CC[NH2+]CC2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC2(CC[NH2+]CC2)C1
CC[C@@](C)(O)CNC(=O)[C@H]1CCCCC[C@@H]1[NH3+] CC[C@@](C)(O)[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)NC[*:1]
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nncn1C Fc1cccc(c1)[*:1] C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C[*:1])c1nncn1C
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nncn1C N#Cc1ccc(cc1)[*:1] C[C@H](NC(=O)N(Cc1cccc(F)c1)C[*:1])c1nncn1C
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nncn1C Fc1cccc(c1)C[*:1] C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)[*:1])c1nncn1C
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nncn1C N#Cc1ccc(cc1)C[*:1] C[C@H](NC(=O)N(Cc1cccc(F)c1)[*:1])c1nncn1C
C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[*:1]
C[NH2+]Cc1cnn(-c2cccc(C)c2)c1C(C)C CC(C)[*:1] C[NH2+]Cc1cnn(-c2cccc(C)c2)c1[*:1]
CN(C)c1nc(C#N)nc(N2CCOCC2)n1 CN(C)[*:1] N#Cc1nc(nc(n1)[*:1])N1CCOCC1
C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1ccccc1[*:1])c1ccc(cc1)NC(=O)C1CC1
C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
CN(C)C(=O)CN1CCC([NH2+]C[C@@]2(C)CCCO2)CC1 CN(C)C(=O)[*:1] C[C@@]1(CCCO1)C[NH2+]C1CCN(CC1)C[*:1]
CN(C)C(=O)CN1CCC([NH2+]C[C@@]2(C)CCCO2)CC1 CN(C)C(=O)C[*:1] C[C@@]1(CCCO1)C[NH2+]C1CCN(CC1)[*:1]
CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(F)cc1 c1ccc(cc1)[*:1] CNC(=O)N1Cc2c(C)nn(c2-n2cccc2[C@@H]1c1ccc(F)cc1)[*:1]
CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1[*:1]
CC[C@@H](C(=O)Nc1ccc(OC(C)=O)cc1C(=O)[O-])c1ccccc1 CC(=O)O[*:1] CC[C@@H](C(=O)Nc1ccc(cc1C(=O)[O-])[*:1])c1ccccc1
CC[C@@H](C(=O)Nc1ccc(OC(C)=O)cc1C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccc(cc1C(=O)[O-])OC(C)=O)[*:1]
CC[C@@H](C(=O)Nc1ccc(OC(C)=O)cc1C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CC[C@@H](C(=O)Nc1ccc(cc1[*:1])OC(C)=O)c1ccccc1
Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(c1)[*:1]
CCOCCN1C(=O)[C@H](Oc2ccc(F)cc2)[C@H]1c1ccsc1 c1cc(cs1)[*:1] CCOCCN1C(=O)[C@H](Oc2ccc(F)cc2)[C@@H]1[*:1]
CCOCCN1C(=O)[C@H](Oc2ccc(F)cc2)[C@H]1c1ccsc1 CCOC[*:1] O=C1[C@H](Oc2ccc(F)cc2)[C@@H](c2ccsc2)N1C[*:1]
CCOCCN1C(=O)[C@H](Oc2ccc(F)cc2)[C@H]1c1ccsc1 Fc1ccc(cc1)[*:1] CCOCCN1C(=O)[C@H](O[*:1])[C@H]1c1ccsc1
CCOCCN1C(=O)[C@H](Oc2ccc(F)cc2)[C@H]1c1ccsc1 CCOCC[*:1] O=C1[C@H](Oc2ccc(F)cc2)[C@@H](c2ccsc2)N1[*:1]
CCOCCN1C(=O)[C@H](Oc2ccc(F)cc2)[C@H]1c1ccsc1 CCO[*:1] O=C1[C@H](Oc2ccc(F)cc2)[C@@H](c2ccsc2)N1CC[*:1]
COc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)c1 COc1cccc(c1)[*:1] Cc1cc(ccc1F)S(=O)(=O)Nc1ccc(cc1)C(=O)N[*:1]
COc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)c1 Cc1cc(ccc1F)[*:1] COc1cccc(c1)NC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
O=C(CCCn1ccnn1)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 c1cn(CCC[*:1])nn1 O=C(Nc1nc2cc3OC(F)(F)Oc3cc2s1)[*:1]
O=C(CCCn1ccnn1)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 c1cn(C[*:1])nn1 O=C(CC[*:1])Nc1nc2cc3OC(F)(F)Oc3cc2s1
O=C(CCCn1ccnn1)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 c1cn(CC[*:1])nn1 O=C(C[*:1])Nc1nc2cc3OC(F)(F)Oc3cc2s1
O=C(CCCn1ccnn1)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 c1cn(nn1)[*:1] O=C(CCC[*:1])Nc1nc2cc3OC(F)(F)Oc3cc2s1
CCn1c(CN2CCO[C@H](c3nc(C)cs3)C2)nc2ccccc21 Cc1csc(n1)[*:1] CCn1c(CN2CCO[C@H](C2)[*:1])nc2ccccc21
COCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 COCC[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)NC[*:1])-c1ccccc1
COCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 c1ccc(cc1)[*:1] COCCCNc1ncnc2c1sc1nc(c3COC(C)(C)Cc3c12)[*:1]
COCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 COCCCN[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)[*:1])-c1ccccc1
COCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 COCCC[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)N[*:1])-c1ccccc1
COCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 COC[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)NCC[*:1])-c1ccccc1
C[C@](CO)(NC(=O)c1c[nH]c2cccc(Br)c12)C1CC1 C1CC1[*:1] C[C@](CO)(NC(=O)c1c[nH]c2cccc(Br)c12)[*:1]
COc1ccc(CN(C(=O)c2cnccn2)[C@@H]2CCCC[C@@H]2C)cc1OC c1cnc(cn1)[*:1] COc1ccc(cc1OC)CN(C(=O)[*:1])[C@@H]1CCCC[C@@H]1C
CCOC(=O)c1cnc(SCC(=O)N2CCCC[C@H]2C)nc1N CCOC(=O)[*:1] C[C@@H]1CCCCN1C(=O)CSc1ncc(c(N)n1)[*:1]
Cc1noc(CCCC(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)n1 Cc1noc(C[*:1])n1 C[C@H]1CN(C(=O)CC[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
Cc1noc(CCCC(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)n1 Cc1noc(n1)[*:1] C[C@H]1CN(C(=O)CCC[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
Cc1noc(CCCC(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)n1 CC(C)(C)[*:1] Cc1noc(CCCC(=O)N2C[C@H](C)N(C[C@H]2C)C(=O)O[*:1])n1
Cc1noc(CCCC(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)n1 Cc1noc(CC[*:1])n1 C[C@H]1CN(C(=O)C[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCOCC1 Clc1cccc(Cl)c1[*:1] O=C(NN=C[*:1])C(=O)Nc1ccccc1C(=O)N1CCOCC1
O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1[*:1]
Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)C1CCC1)C(C)C Cc1ccccc1[*:1] CC(C)N(CC(=O)N1CCc2sccc2[C@H]1[*:1])C(=O)C1CCC1
Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)C1CCC1)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)C1CCC1)[*:1]
Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)C1CCC1)C(C)C C1CC(C1)[*:1] Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)[*:1])C(C)C
O=C(NCCc1csc(C2CCN(C(=O)C3CC3)CC2)n1)C1CC1 C1CC1[*:1] O=C(NCCc1csc(n1)C1CCN(CC1)C(=O)[*:1])C1CC1
O=C(NCCc1csc(C2CCN(C(=O)C3CC3)CC2)n1)C1CC1 O=C(NCC[*:1])C1CC1 O=C(C1CC1)N1CCC(CC1)c1nc(cs1)[*:1]
O=C(NCCc1csc(C2CCN(C(=O)C3CC3)CC2)n1)C1CC1 C1CC1[*:1] O=C(C1CC1)N1CCC(CC1)c1nc(cs1)CCNC(=O)[*:1]
O=C(NCCc1csc(C2CCN(C(=O)C3CC3)CC2)n1)C1CC1 O=C(NC[*:1])C1CC1 O=C(C1CC1)N1CCC(CC1)c1nc(cs1)C[*:1]
O=C(NCCc1csc(C2CCN(C(=O)C3CC3)CC2)n1)C1CC1 O=C(N[*:1])C1CC1 O=C(C1CC1)N1CCC(CC1)c1nc(cs1)CC[*:1]
Cc1ccc([C@H]2CCCCN2c2ccc3nnc(C)n3n2)o1 Cc1ccc(o1)[*:1] Cc1nnc2ccc(nn12)N1CCCC[C@@H]1[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCCS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1ccc(c(C)c1NC(=O)N(C)CC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCCS(C)(=O)=O CS(=O)(=O)CCC[*:1] Cc1ccc(c(C)c1NC(=O)N(C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCCS(C)(=O)=O CS(=O)(=O)CC[*:1] Cc1ccc(c(C)c1NC(=O)N(C)C[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCCS(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(c(C)c1NC(=O)N(C)CCC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCCS(C)(=O)=O O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)N(C)CCCS(C)(=O)=O)[*:1]
Cc1c(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)CCc2nc3ccccc3n2[*:1])c(=O)n(-c2ccccc2)n1C
CC(C)NC(=O)C[C@H](C)NC(=O)N1CCCCC[C@H]1c1ccncc1 CC(C)NC(=O)C[*:1] C[C@H](NC(=O)N1CCCCC[C@H]1c1ccncc1)[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)N1CCCCC[C@H]1c1ccncc1 c1cc(ccn1)[*:1] CC(C)NC(=O)C[C@H](C)NC(=O)N1CCCCC[C@@H]1[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)N1CCCCC[C@H]1c1ccncc1 CC(C)[*:1] C[C@@H](CC(=O)N[*:1])NC(=O)N1CCCCC[C@H]1c1ccncc1
CC(C)NC(=O)C[C@H](C)NC(=O)N1CCCCC[C@H]1c1ccncc1 CC(C)NC(=O)[*:1] C[C@@H](C[*:1])NC(=O)N1CCCCC[C@H]1c1ccncc1
Cc1c(CN(C)Cc2cccc(OC(C)C)c2)c(=O)n(-c2ccccc2)n1C CC(C)[*:1] Cc1c(CN(C)Cc2cccc(c2)O[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(CN(C)Cc2cccc(OC(C)C)c2)c(=O)n(-c2ccccc2)n1C CC(C)O[*:1] Cc1c(CN(C)Cc2cccc(c2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(CN(C)Cc2cccc(OC(C)C)c2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(CN(C)Cc2cccc(c2)OC(C)C)c(=O)n(n1C)[*:1]
CC(=O)N[C@@H]1[C@H](Sc2ccc(Cl)cc2)O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@H](C)C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H]1[C@@H](O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@H](C)[*:1])Sc1ccc(Cl)cc1
CC(=O)N[C@@H]1[C@H](Sc2ccc(Cl)cc2)O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@H](C)C(=O)[O-] Clc1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@@H](O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@H](C)C(=O)[O-])S[*:1]
CC(=O)N[C@@H]1[C@H](Sc2ccc(Cl)cc2)O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@H](C)C(=O)[O-] Clc1ccc(cc1)S[*:1] CC(=O)N[C@@H]1[C@H](O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@H](C)C(=O)[O-])[*:1]
CC(=O)N[C@@H]1[C@H](Sc2ccc(Cl)cc2)O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@H](C)C(=O)[O-] CC(=O)N[*:1] C[C@@H](O[C@@H]1[C@@H]([C@@H](O[C@H]2COC(C)(C)O[C@@H]21)Sc1ccc(Cl)cc1)[*:1])C(=O)[O-]
CC1CCC(c2nnnn2-c2ccccc2)(N2CCOCC2)CC1 C1CN(CCO1)[*:1] CC1CCC(CC1)(c1nnnn1-c1ccccc1)[*:1]
CC1CCC(c2nnnn2-c2ccccc2)(N2CCOCC2)CC1 c1ccc(cc1)[*:1] CC1CCC(CC1)(c1nnnn1[*:1])N1CCOCC1
CCn1cc(C(=O)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 CCn1cc(cn1)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)C(=O)[*:1]
CCC[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)CCO1 CCC[*:1] c1cc(cc(c1)-c1ccncc1)CN1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)CCO1 c1cc(ccn1)[*:1] CCC[C@@H]1CN(CCO1)Cc1cccc(c1)[*:1]
C#CC[C@@H](NC(=O)CCc1ccc(C)o1)C(N)=O C#CC[*:1] Cc1ccc(CCC(=O)N[C@@H](C(N)=O)[*:1])o1
C#CC[C@@H](NC(=O)CCc1ccc(C)o1)C(N)=O Cc1ccc(o1)[*:1] C#CC[C@@H](NC(=O)CC[*:1])C(N)=O
C#CC[C@@H](NC(=O)CCc1ccc(C)o1)C(N)=O NC(=O)[*:1] C#CC[C@@H](NC(=O)CCc1ccc(C)o1)[*:1]
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(S(N)(=O)=O)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] C=CCN1C(=O)[C@@H](C[*:1])S/C1=N\c1ccc(cc1)S(N)(=O)=O
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(S(N)(=O)=O)cc1 Clc1ccc(cc1)[*:1] C=CCN1C(=O)[C@@H](CC(=O)N[*:1])S/C1=N\c1ccc(cc1)S(N)(=O)=O
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(cc1)[*:1]
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)SC1=N[*:1]
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(S(N)(=O)=O)cc1 C=CC[*:1] NS(=O)(=O)c1ccc(cc1)/N=C1\S[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1[*:1]
Cc1c(F)cccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 Cc1c(F)cccc1[*:1] O=[N+]([O-])c1ccc(cc1)-c1noc(CN[*:1])n1
Cc1c(F)cccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 O=[N+]([O-])[*:1] Cc1c(F)cccc1NCc1nc(no1)-c1ccc(cc1)[*:1]
O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCOC[C@@H]1[*:1]
O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCOC[C@H]1C1CC1 C1CCN(CC1)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])N1CCOC[C@H]1C1CC1
COC(=O)c1ccc(-n2ncnc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 COC(=O)[*:1] O=[N+]([O-])c1cc(ccc1Cl)-c1ncnn1-c1ccc(cc1)[*:1]
COC(=O)c1ccc(-n2ncnc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)-n1ncnc1-c1ccc(Cl)c(c1)[*:1]
Cc1ccc(C)c(OCCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)OCCCC(=O)Nc1ccc(Cl)c(c1)[*:1]
Cc1ccc(C)c(OCCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CCCO[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
Cc1c(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)oc2ccc(F)cc12 c1csc(c1)[*:1] Cc1c(oc2ccc(F)cc12)C(=O)N1CCc2sccc2[C@H]1[*:1]
C/C(=N/NC(=O)[C@@H]1COc2cc3ccccc3cc2O1)c1ccccc1 c1ccc(cc1)[*:1] CC(=NNC(=O)[C@@H]1COc2cc3ccccc3cc2O1)[*:1]
COc1cc2ncn(CCC(=O)/N=c3\[nH]c4ccc(S(C)(=O)=O)cc4s3)c(=O)c2cc1OC CS(=O)(=O)[*:1] COc1cc2ncn(CCC(=O)/N=c3\[nH]c4ccc(cc4s3)[*:1])c(=O)c2cc1OC
C[C@@H](C1CCN(c2nc[nH+]c3c2CCC3)CC1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](C1CCN(CC1)c1nc[nH+]c2CCCc12)[*:1]
C=CCN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O C=CC[*:1] O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1[*:1]
C=CCN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O O=[N+]([O-])[*:1] C=CCN1C(=O)S/C(=C/c2ccccc2[*:1])C1=O
CCCCC(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC CCCC[*:1] COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)[*:1]
CCCCC(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC CCC[*:1] COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 C[C@H](Cc1cccs1)[*:1] CN(C(=O)c1ccc(cc1)OC[C@H]1CCCO1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1ccc(cc1)OC[C@H]1CCCO1
C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(cc1)O[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(cc1)OC[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 C1CO[C@H](C1)CO[*:1] C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(cc1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)c1ccc(cc1)OC[C@H]1CCCO1)[*:1]
C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N[C@H](C)[*:1]
Cc1noc(C2CC[NH+](CC(=O)Nc3ccnn3C3CCCC3)CC2)n1 Cc1noc(n1)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1ccnn1C1CCCC1
Cc1noc(C2CC[NH+](CC(=O)Nc3ccnn3C3CCCC3)CC2)n1 C1CCC(C1)[*:1] Cc1noc(n1)C1CC[NH+](CC1)CC(=O)Nc1ccnn1[*:1]
CCOc1ccccc1N/C=C(\C#N)C(=O)Nc1ccccc1 CCO[*:1] N#C/C(=C\Nc1ccccc1[*:1])C(=O)Nc1ccccc1
CCOc1ccccc1N/C=C(\C#N)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1N/C=C(\C#N)C(=O)N[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)c2c(-n3cccc3)sc3c2CCCC3)CC1 c1ccn(c1)[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)c1c(sc2CCCCc21)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)c2c(-n3cccc3)sc3c2CCCC3)CC1 CC(C)N(C)C(=O)[*:1] O=C(c1c(sc2CCCCc21)-n1cccc1)N1CCC(CC1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)c2c(-n3cccc3)sc3c2CCCC3)CC1 CC(C)[*:1] CN(C(=O)C1CCN(CC1)C(=O)c1c(sc2CCCCc21)-n1cccc1)[*:1]
COc1ccc([C@@H](C)NC(=O)Cc2c(C)noc2C)c(OC)c1 Cc1noc(C)c1[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC(=O)C[*:1]
Clc1ccc(Nc2scc(-c3cccs3)[n+]2CCCN2CCOCC2)cc1 Clc1ccc(cc1)[*:1] c1csc(c1)-c1csc(N[*:1])[n+]1CCCN1CCOCC1
Clc1ccc(Nc2scc(-c3cccs3)[n+]2CCCN2CCOCC2)cc1 C1CN(CCO1)CC[*:1] Clc1ccc(cc1)Nc1scc(-c2cccs2)[n+]1C[*:1]
Clc1ccc(Nc2scc(-c3cccs3)[n+]2CCCN2CCOCC2)cc1 C1CN(CCO1)[*:1] Clc1ccc(cc1)Nc1scc(-c2cccs2)[n+]1CCC[*:1]
Clc1ccc(Nc2scc(-c3cccs3)[n+]2CCCN2CCOCC2)cc1 c1csc(c1)[*:1] Clc1ccc(cc1)Nc1scc([n+]1CCCN1CCOCC1)[*:1]
Clc1ccc(Nc2scc(-c3cccs3)[n+]2CCCN2CCOCC2)cc1 C(CN1CCOCC1)C[*:1] Clc1ccc(cc1)Nc1scc(-c2cccs2)[n+]1[*:1]
Clc1ccc(Nc2scc(-c3cccs3)[n+]2CCCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] Clc1ccc(cc1)Nc1scc(-c2cccs2)[n+]1CC[*:1]
Clc1ccc(Nc2scc(-c3cccs3)[n+]2CCCN2CCOCC2)cc1 Clc1ccc(cc1)N[*:1] c1csc(c1)-c1csc([n+]1CCCN1CCOCC1)[*:1]
CC[C@](C)([NH3+])C(=O)Nc1cccc(Cl)c1-n1ccnc1 c1cn(cn1)[*:1] CC[C@](C)([NH3+])C(=O)Nc1cccc(Cl)c1[*:1]
O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)C2CC2)cc1 C1CC1[*:1] O=C([O-])c1ccc(cc1)NC(=O)c1ccccc1NC(=O)[*:1]
O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)C2CC2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1NC(=O)C1CC1
O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C([O-])c1ccc(cc1)NC(=O)c1ccccc1[*:1]
O=C(c1nnn(-c2ccc(F)cc2)n1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)c1ccc(nc1)[*:1] O=C(c1nnn(n1)-c1ccc(F)cc1)N1CCN(CC1)[*:1]
O=C(c1nnn(-c2ccc(F)cc2)n1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C(c1nnn(n1)-c1ccc(F)cc1)N1CCN(CC1)c1ccc(cn1)[*:1]
O=C(c1nnn(-c2ccc(F)cc2)n1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 Fc1ccc(cc1)[*:1] O=C(c1nnn(n1)[*:1])N1CCN(CC1)c1ccc(cn1)C(F)(F)F
CCC[C@@H](C)[C@H]1CC[NH2+]C[C@@H]1Cc1ccccc1 CCC[C@@H](C)[*:1] c1ccc(cc1)C[C@H]1C[NH2+]CC[C@@H]1[*:1]
CCC[C@@H](C)[C@H]1CC[NH2+]C[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C)[C@H]1CC[NH2+]C[C@@H]1C[*:1]
CCC[C@@H](C)[C@H]1CC[NH2+]C[C@@H]1Cc1ccccc1 CCC[*:1] C[C@@H]([C@H]1CC[NH2+]C[C@@H]1Cc1ccccc1)[*:1]
NC(=O)C1CC[NH+](Cn2nc3ccccn3c2=O)CC1 NC(=O)[*:1] O=c1n(C[NH+]2CCC(CC2)[*:1])nc2ccccn12
COc1ccc(NC(=O)NC(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 COc1ccc(cc1)[*:1] O=C(CN1CC[C@H](C1)C[NH+]1CCCCC1)NC(=O)N[*:1]
CCOC(=O)c1c(CSc2cc(C)nc(C)n2)nc2ccccc2c1C Cc1cc(nc(C)n1)[*:1] CCOC(=O)c1c(CS[*:1])nc2ccccc2c1C
CCOC(=O)c1c(CSc2cc(C)nc(C)n2)nc2ccccc2c1C CCOC(=O)[*:1] Cc1cc(nc(C)n1)SCc1nc2ccccc2c(C)c1[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N3CCNC(=O)[C@@H]3C(C)C)ccc21 CCC[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N3CCNC(=O)[C@@H]3C(C)C)ccc21 CC(C)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N1CCNC(=O)[C@H]1[*:1]
C[C@@H](Cl)CN(C)C(=O)[C@H]1CCO[C@@H]1C C[C@@H](Cl)C[*:1] C[C@H]1OCC[C@@H]1C(=O)N(C)[*:1]
C[C@@H](Cl)CN(C)C(=O)[C@H]1CCO[C@@H]1C C[C@@H](Cl)[*:1] C[C@H]1OCC[C@@H]1C(=O)N(C)C[*:1]
Cc1csc(C[C@@H](C[NH2+]CC(C)C)c2ccc(Cl)cc2)n1 Cc1csc(C[*:1])n1 CC(C)C[NH2+]C[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1csc(C[C@@H](C[NH2+]CC(C)C)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1csc(C[C@@H](C[NH2+]CC(C)C)[*:1])n1
Cc1csc(C[C@@H](C[NH2+]CC(C)C)c2ccc(Cl)cc2)n1 CC(C)C[*:1] Cc1csc(C[C@@H](C[NH2+][*:1])c2ccc(Cl)cc2)n1
Cc1csc(C[C@@H](C[NH2+]CC(C)C)c2ccc(Cl)cc2)n1 Cc1csc(n1)[*:1] CC(C)C[NH2+]C[C@H](C[*:1])c1ccc(Cl)cc1
Cc1csc(C[C@@H](C[NH2+]CC(C)C)c2ccc(Cl)cc2)n1 CC(C)[*:1] Cc1csc(C[C@@H](C[NH2+]C[*:1])c2ccc(Cl)cc2)n1
O=C([O-])/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1 O=C([O-])[*:1] O=C(N/C(=C\c1ccccc1Cl)[*:1])c1ccccc1
O=C([O-])/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])/C(=C/c1ccccc1Cl)NC(=O)[*:1]
O=C([O-])/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1 Clc1ccccc1[*:1] O=C([O-])C(=C[*:1])NC(=O)c1ccccc1
CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)Oc1ccccc1 c1ccc(cc1)O[*:1] CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)Oc1ccccc1 CCC[*:1] C[C@@H](CNC(=O)[C@H]1CSCN1C(=O)[*:1])Oc1ccccc1
CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)O[*:1]
CCc1nc2n(n1)CCC[C@H]2Nc1ccc2nnc(C(F)(F)F)n2n1 FC(F)(F)[*:1] CCc1nc2[C@@H](CCCn2n1)Nc1ccc2nnc(n2n1)[*:1]
CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 CCOC(=O)[*:1] O=C(Nc1ccc2OCCOc2c1)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 c1cc2OCCOc2cc1[*:1] CCOC(=O)c1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
COC(=O)c1ccc(N2CCC[C@@H]2c2cccc(F)c2)nc1C COC(=O)[*:1] Cc1nc(ccc1[*:1])N1CCC[C@@H]1c1cccc(F)c1
COC(=O)c1ccc(N2CCC[C@@H]2c2cccc(F)c2)nc1C Fc1cccc(c1)[*:1] COC(=O)c1ccc(nc1C)N1CCC[C@H]1[*:1]
COc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 CC(C)(C)[*:1] COc1ccc(cc1)NC(=O)Cn1cnc2c(cnn2[*:1])c1=O
COc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 COc1ccc(cc1)[*:1] CC(C)(C)n1ncc2c(=O)n(cnc21)CC(=O)N[*:1]
CS(=O)(=O)c1ccccc1N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] CS(=O)(=O)c1ccccc1N1CCC(CC1)O[*:1]
CS(=O)(=O)c1ccccc1N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CS(=O)(=O)c1ccccc1N1CCC(CC1)OC[*:1]
CS(=O)(=O)c1ccccc1N1CCC(OCc2ccc(F)cc2)CC1 CS(=O)(=O)[*:1] Fc1ccc(cc1)COC1CCN(CC1)c1ccccc1[*:1]
COC(=O)Nc1cccc(NCc2nc(CC(C)C)no2)c1 CC(C)C[*:1] COC(=O)Nc1cccc(c1)NCc1nc(no1)[*:1]
COC(=O)Nc1cccc(NCc2nc(CC(C)C)no2)c1 CC(C)[*:1] COC(=O)Nc1cccc(c1)NCc1nc(C[*:1])no1
COC(=O)Nc1cccc(NCc2nc(CC(C)C)no2)c1 COC(=O)N[*:1] CC(C)Cc1noc(CNc2cccc(c2)[*:1])n1
COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC(=O)[*:1])[C@@H]1N[C@@H](CS1)C(=O)[O-]
COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccccc1 O=C([O-])[*:1] COc1cc(ccc1OC(=O)c1ccccc1)[C@@H]1N[C@H](CS1)[*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@@H](Sc2cccc(F)c2)C1 CC(C)[*:1] O=C([O-])[C@]1(CC[C@H](C1)Sc1cccc(F)c1)[NH2+][*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@@H](Sc2cccc(F)c2)C1 O=C([O-])[*:1] CC(C)[NH2+][C@@]1(CC[C@H](C1)Sc1cccc(F)c1)[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCC[C@@H]3CCCO3)C2)CC1 C1CO[C@@H](C1)CC[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)N[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCC[C@@H]3CCCO3)C2)CC1 C1CO[C@@H](C1)C[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NC[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCC[C@@H]3CCCO3)C2)CC1 C1CO[C@@H](C1)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NCC[*:1]
CC(C)c1nc(N2CCCC2=O)sc1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)c1nc(sc1C(=O)N[*:1])N1CCCC1=O
CC(C)c1nc(N2CCCC2=O)sc1C(=O)Nc1cccc(F)c1 O=C1CCCN1[*:1] CC(C)c1nc(sc1C(=O)Nc1cccc(F)c1)[*:1]
CC(C)c1nc(N2CCCC2=O)sc1C(=O)Nc1cccc(F)c1 CC(C)[*:1] O=C(Nc1cccc(F)c1)c1sc(nc1[*:1])N1CCCC1=O
O=C(C[C@H](O)c1ccccc1)N1CCC[C@@H]1c1nnc2n1CCCCC2 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N1CCC[C@@H]1c1nnc2CCCCCn21
O=C(C[C@H](O)c1ccccc1)N1CCC[C@@H]1c1nnc2n1CCCCC2 O[C@H](c1ccccc1)[*:1] O=C(C[*:1])N1CCC[C@@H]1c1nnc2CCCCCn21
CCc1nn(C)c(N[C@@](C)(CC)C(=O)[O-])c1[N+](=O)[O-] O=C([O-])[*:1] CCc1nn(C)c(N[C@@](C)(CC)[*:1])c1[N+](=O)[O-]
CCc1nn(C)c(N[C@@](C)(CC)C(=O)[O-])c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(N[C@@](C)(CC)C(=O)[O-])c1[*:1]
CC[C@H]1CCC[C@@H]([C@@H](Cc2ccccc2)C(=O)[O-])C1 O=C([O-])[*:1] CC[C@H]1CCC[C@H](C1)[C@@H](Cc1ccccc1)[*:1]
CC[C@H]1CCC[C@@H]([C@@H](Cc2ccccc2)C(=O)[O-])C1 c1ccc(cc1)[*:1] CC[C@H]1CCC[C@H](C1)[C@@H](C[*:1])C(=O)[O-]
CN(C(=O)Cn1c(=O)cc(-c2nc(-c3cccnc3)no2)c2ccccc21)c1ccccc1 CN(C(=O)[*:1])c1ccccc1 O=c1cc(-c2nc(no2)-c2cccnc2)c2ccccc2n1C[*:1]
CN(C(=O)Cn1c(=O)cc(-c2nc(-c3cccnc3)no2)c2ccccc21)c1ccccc1 CN(C(=O)C[*:1])c1ccccc1 O=c1cc(-c2nc(no2)-c2cccnc2)c2ccccc2n1[*:1]
CN(C(=O)Cn1c(=O)cc(-c2nc(-c3cccnc3)no2)c2ccccc21)c1ccccc1 c1cncc(c1)-c1noc(n1)[*:1] CN(C(=O)Cn1c(=O)cc(c2ccccc21)[*:1])c1ccccc1
CN(C(=O)Cn1c(=O)cc(-c2nc(-c3cccnc3)no2)c2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)Cn1c(=O)cc(-c2nc(no2)-c2cccnc2)c2ccccc21)[*:1]
CN(C(=O)Cn1c(=O)cc(-c2nc(-c3cccnc3)no2)c2ccccc21)c1ccccc1 c1cncc(c1)[*:1] CN(C(=O)Cn1c(=O)cc(-c2nc(no2)[*:1])c2ccccc21)c1ccccc1
Cc1cccc(NC(=S)N(Cc2ccco2)C[C@H]2CC=CCC2)c1C c1coc(c1)[*:1] Cc1cccc(NC(=S)N(C[C@H]2CC=CCC2)C[*:1])c1C
Cc1cccc(NC(=S)N(Cc2ccco2)C[C@H]2CC=CCC2)c1C c1coc(c1)C[*:1] Cc1cccc(NC(=S)N(C[C@H]2CC=CCC2)[*:1])c1C
Cc1cccc(NC(=S)N(Cc2ccco2)C[C@H]2CC=CCC2)c1C Cc1cccc(c1C)[*:1] S=C(N[*:1])N(Cc1ccco1)C[C@H]1CC=CCC1
N#Cc1c(CN2CCC[NH+](Cc3ccccc3)CC2)cn2ccccc12 c1ccc(cc1)C[*:1] N#Cc1c(cn2ccccc12)CN1CCC[NH+](CC1)[*:1]
N#Cc1c(CN2CCC[NH+](Cc3ccccc3)CC2)cn2ccccc12 c1ccc(cc1)[*:1] N#Cc1c(cn2ccccc12)CN1CCC[NH+](CC1)C[*:1]
O=C([O-])[C@@H]1c2[nH]c[nH+]c2CCN1C(=O)CCCc1c[nH]c2ccccc12 O=C([O-])[*:1] O=C(CCCc1c[nH]c2ccccc12)N1CCc2[nH+]c[nH]c2[C@H]1[*:1]
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)C1(C)C CC(=O)[*:1] CC1(C)[C@@H](CC(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)C[C@H]1[*:1]
COC(=O)CN(C(=O)CCC(C)C)C(C)C CC(C)[*:1] COC(=O)CN(C(=O)CCC(C)C)[*:1]
COC(=O)CN(C(=O)CCC(C)C)C(C)C CC(C)[*:1] COC(=O)CN(C(=O)CC[*:1])C(C)C
COC(=O)CN(C(=O)CCC(C)C)C(C)C COC(=O)C[*:1] CC(C)CCC(=O)N(C(C)C)[*:1]
COC(=O)CN(C(=O)CCC(C)C)C(C)C COC(=O)[*:1] CC(C)CCC(=O)N(C[*:1])C(C)C
COC(=O)CN(C(=O)CCC(C)C)C(C)C CC(C)C[*:1] COC(=O)CN(C(=O)C[*:1])C(C)C
COC(=O)CN(C(=O)CCC(C)C)C(C)C CC(C)CC[*:1] COC(=O)CN(C(=O)[*:1])C(C)C
CSCC[C@@H]1NC(=O)N(Cc2cc(F)ccc2Br)C1=O CSC[*:1] O=C1N[C@@H](C[*:1])C(=O)N1Cc1cc(F)ccc1Br
CSCC[C@@H]1NC(=O)N(Cc2cc(F)ccc2Br)C1=O CSCC[*:1] O=C1N[C@H](C(=O)N1Cc1cc(F)ccc1Br)[*:1]
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1Br O=C([O-])C=C[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(F)cc1Br)[*:1]
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1Br O=C([O-])[*:1] COc1ccc(C=C[*:1])cc1S(=O)(=O)Nc1ccc(F)cc1Br
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1Br Fc1ccc(c(Br)c1)[*:1] COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N[*:1]
CNC(=O)c1cc2cc(F)ccc2[nH]1 CNC(=O)[*:1] Fc1ccc2[nH]c(cc2c1)[*:1]
CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3C)C2)c1 Cc1c(Cl)cccc1[*:1] CCn1cnc(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3C)C2)c1 CCn1cnc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc3oc(CC)nc3c2)C1 CCNC(=O)[*:1] CCc1nc2cc(ccc2o1)NC(=O)C(=O)N1CC(C1)[*:1]
CCc1nn(C)cc1C(=O)OC1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CCc1nn(C)cc1C(=O)OC1CCN(CC1)C(=O)[*:1]
CCc1nn(C)cc1C(=O)OC1CCN(C(=O)c2ccccc2F)CC1 CCc1nn(C)cc1[*:1] O=C(c1ccccc1F)N1CCC(CC1)OC(=O)[*:1]
CN(C)c1cccc(C(=O)NC[C@@](C)(O)CSc2ccccc2)c1 c1ccc(cc1)SC[*:1] CN(C)c1cccc(c1)C(=O)NC[C@@](C)(O)[*:1]
CN(C)c1cccc(C(=O)NC[C@@](C)(O)CSc2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)c1cccc(c1)C(=O)NC[C@@](C)(O)CS[*:1]
CN(C)c1cccc(C(=O)NC[C@@](C)(O)CSc2ccccc2)c1 c1ccc(cc1)S[*:1] CN(C)c1cccc(c1)C(=O)NC[C@@](C)(O)C[*:1]
CN(C)c1cccc(C(=O)NC[C@@](C)(O)CSc2ccccc2)c1 CN(C)[*:1] C[C@@](O)(CNC(=O)c1cccc(c1)[*:1])CSc1ccccc1
O=S(=O)([N-]c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=S(=O)(Nc1ccc(cc1)[N-]S(=O)(=O)[*:1])c1ccc(F)cc1
O=S(=O)([N-]c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cccc(C(F)(F)F)c1 Fc1ccc(cc1)[*:1] O=S(=O)([N-]c1ccc(cc1)NS(=O)(=O)[*:1])c1cccc(c1)C(F)(F)F
O=S(=O)([N-]c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)([N-]c1ccc(cc1)NS(=O)(=O)c1ccc(F)cc1)c1cccc(c1)[*:1]
COc1ccccc1NC(=O)Nc1nnc(-c2cc(C)oc2C)o1 COc1ccccc1[*:1] Cc1cc(-c2nnc(NC(=O)N[*:1])o2)c(C)o1
COc1ccccc1NC(=O)Nc1nnc(-c2cc(C)oc2C)o1 Cc1cc(c(C)o1)[*:1] COc1ccccc1NC(=O)Nc1nnc(o1)[*:1]
CC(C)c1cc(C(=O)/N=c2\[nH]c3cc(Cl)ccc3n2C)on1 CC(C)[*:1] Cn1/c(=N/C(=O)c2cc(no2)[*:1])[nH]c2cc(Cl)ccc21
CC(=O)Nc1cccc(-c2ccc(F)c(C(=O)[O-])c2)c1 CC(=O)N[*:1] O=C([O-])c1cc(ccc1F)-c1cccc(c1)[*:1]
CC(=O)Nc1cccc(-c2ccc(F)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] CC(=O)Nc1cccc(c1)-c1ccc(F)c(c1)[*:1]
COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])S(=O)(=O)N1CCCC[C@@H]1C
[NH3+][C@@H](CNc1ccc(C(=O)[O-])c(F)c1F)c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@@H](CNc1ccc(C(=O)[O-])c(F)c1F)[*:1]
[NH3+][C@@H](CNc1ccc(C(=O)[O-])c(F)c1F)c1ccccc1 O=C([O-])[*:1] [NH3+][C@@H](CNc1ccc(c(F)c1F)[*:1])c1ccccc1
O=C(c1cnc2ccc(Cl)cc2c1NCc1cccc(Br)c1)N1CCCCC1 Brc1cccc(c1)[*:1] O=C(c1cnc2ccc(Cl)cc2c1NC[*:1])N1CCCCC1
O=C(c1cnc2ccc(Cl)cc2c1NCc1cccc(Br)c1)N1CCCCC1 O=C(N1CCCCC1)[*:1] Clc1ccc2ncc(c(NCc3cccc(Br)c3)c2c1)[*:1]
O=C(c1cnc2ccc(Cl)cc2c1NCc1cccc(Br)c1)N1CCCCC1 Brc1cccc(c1)C[*:1] O=C(c1cnc2ccc(Cl)cc2c1N[*:1])N1CCCCC1
O=C(c1cnc2ccc(Cl)cc2c1NCc1cccc(Br)c1)N1CCCCC1 Brc1cccc(c1)CN[*:1] O=C(c1cnc2ccc(Cl)cc2c1[*:1])N1CCCCC1
C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1ccc(cc1)NC(=O)[*:1]
C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CCOc1ccc([C@H](C)[C@](O)(C(=O)[O-])C(C)C)cc1 CCO[*:1] CC(C)[C@@](O)(C(=O)[O-])[C@@H](C)c1ccc(cc1)[*:1]
CCOc1ccc([C@H](C)[C@](O)(C(=O)[O-])C(C)C)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)[C@H](C)[C@](O)(C(C)C)[*:1]
CCOc1ccc([C@H](C)[C@](O)(C(=O)[O-])C(C)C)cc1 CC(C)[*:1] CCOc1ccc(cc1)[C@H](C)[C@](O)(C(=O)[O-])[*:1]
CC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1F Cn1ccc(n1)[*:1] CC[NH2+][C@@H](c1ccc(Cl)cc1F)[*:1]
CC1=NN(c2ccc(C(=O)N3CCN(Cc4ccsc4)CC3)cc2)CC1 c1cc(cs1)C[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
CC1=NN(c2ccc(C(=O)N3CCN(Cc4ccsc4)CC3)cc2)CC1 c1cc(cs1)[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N1CCN(CC1)C[*:1]
CC(C)(C)[C@]1(Cc2csc3ccccc23)CCC[NH2+]1 CC(C)(C)[*:1] c1ccc2c(csc2c1)C[C@@]1(CCC[NH2+]1)[*:1]
CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)N1N=C(C[C@@H]1c1ccco1)c1ccc(Cl)cc1)S(=O)(=O)[*:1]
CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)S(=O)(=O)c1cccs1 Clc1ccc(cc1)[*:1] CN(CC(=O)N1N=C(C[C@@H]1c1ccco1)[*:1])S(=O)(=O)c1cccs1
CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)S(=O)(=O)c1cccs1 CN(S(=O)(=O)c1cccs1)[*:1] O=C(C[*:1])N1N=C(C[C@@H]1c1ccco1)c1ccc(Cl)cc1
CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)S(=O)(=O)c1cccs1 c1coc(c1)[*:1] CN(CC(=O)N1N=C(C[C@H]1[*:1])c1ccc(Cl)cc1)S(=O)(=O)c1cccs1
Cc1ccc(Cl)cc1NC(=O)c1sc(-c2ccsc2)nc1C c1cc(cs1)[*:1] Cc1ccc(Cl)cc1NC(=O)c1sc(nc1C)[*:1]
C[C@H](CN(C)Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CN(C)Cc1nnc(o1)-c1ccc(C#N)cc1)[*:1]
C[C@H](CN(C)Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 N#Cc1ccc(cc1)[*:1] C[C@H](CN(C)Cc1nnc(o1)[*:1])c1ccccc1
C[C@H](CN(C)Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 C[C@H](c1ccccc1)[*:1] CN(Cc1nnc(o1)-c1ccc(C#N)cc1)C[*:1]
COc1ccc(-c2coc3c4c(ccc3c2=O)OC(C)(C)C=C4)cc1 COc1ccc(cc1)[*:1] CC1(C)C=Cc2c(ccc3c(=O)c(coc23)[*:1])O1
COc1ccc(C)cc1-c1csc(NC(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccc(C)cc1-c1csc(n1)NC(=O)[*:1]
CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 CCO[*:1] CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1[*:1]
Cc1nonc1C[C@@H]1C[C@@H](c2ccccc2)CCC1=O Cc1nonc1[*:1] O=C1CC[C@@H](C[C@H]1C[*:1])c1ccccc1
Cc1nonc1C[C@@H]1C[C@@H](c2ccccc2)CCC1=O c1ccc(cc1)[*:1] Cc1nonc1C[C@@H]1C[C@@H](CCC1=O)[*:1]
O=C([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)nc1 O=C([O-])[*:1] O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(cn1)[*:1]
N#Cc1ccc(OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1F O=[N+]([O-])[*:1] N#Cc1ccc(cc1F)OCc1coc(n1)-c1ccc(cc1)[*:1]
CC(C)(C)C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 CC(C)(C)[*:1] O=C(N1CCC[C@@H](C1)c1nc2ccccc2[nH]1)[*:1]
C[C@@H](O)CNC1=NC(=O)[C@@H](C)N=[NH+]1 C[C@@H](O)[*:1] C[C@H]1N=[NH+]C(=NC1=O)NC[*:1]
C[C@@H](O)CNC1=NC(=O)[C@@H](C)N=[NH+]1 C[C@@H](O)C[*:1] C[C@H]1N=[NH+]C(=NC1=O)N[*:1]
CC1CCC(N(C)C(=O)CCCn2cncn2)CC1 c1ncn(n1)[*:1] CC1CCC(CC1)N(C)C(=O)CCC[*:1]
CC1CCC(N(C)C(=O)CCCn2cncn2)CC1 c1ncn(C[*:1])n1 CC1CCC(CC1)N(C)C(=O)CC[*:1]
CC(C)[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccnc1 CC(C)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)[NH2+][C@H](c1cccnc1)[*:1]
CC(C)[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H]([NH2+][C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
CC(C)[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccnc1 CC(C)(C)[*:1] CC(C)[C@H]([NH2+][C@@H]1CCN(C1)C(=O)O[*:1])c1cccnc1
COC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 COC(=O)[*:1] CC(=O)N1C(=O)NC(C)=C([C@@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
COC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1cccc(c1)[*:1]
C[C@@H]1CCC[C@@]2(C[NH+]=C(N)N2C[C@@H]2CCCO2)[C@@H]1C C1CO[C@@H](C1)C[*:1] C[C@@H]1CCC[C@@]2(C[NH+]=C(N)N2[*:1])[C@@H]1C
C[C@@H]1CCC[C@@]2(C[NH+]=C(N)N2C[C@@H]2CCCO2)[C@@H]1C C1CO[C@@H](C1)[*:1] C[C@@H]1CCC[C@@]2(C[NH+]=C(N)N2C[*:1])[C@@H]1C
CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2COC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2COC(=O)[*:1]
CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 CC(C)(C)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2c(C)[nH]c3ccccc23)cc1 CNS(=O)(=O)[*:1] Cc1[nH]c2ccccc2c1C(=O)N[C@H](C)c1ccc(cc1)[*:1]
O=C(CSc1ncc2ccccn12)Nc1ccccc1C(=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(CSc1ncc2ccccn12)Nc1ccccc1C(=O)N[*:1]
O=C(CSc1ncc2ccccn12)Nc1ccccc1C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C(CSc1ncc2ccccn12)Nc1ccccc1[*:1]
O=C(CSc1ncc2ccccn12)Nc1ccccc1C(=O)NC1CCCC1 c1ccn2c(ncc2c1)[*:1] O=C(CS[*:1])Nc1ccccc1C(=O)NC1CCCC1
Cc1nn(C[C@@H]2Cc3ccccc3S2)cc1C[NH2+]C(C)C CC(C)[*:1] Cc1nn(cc1C[NH2+][*:1])C[C@@H]1Cc2ccccc2S1
O=S(=O)(CC1CCCCC1)NC[C@H](c1cccc(F)c1)N1CCOCC1 C1CCC(CC1)C[*:1] O=S(=O)(NC[C@H](c1cccc(F)c1)N1CCOCC1)[*:1]
O=S(=O)(CC1CCCCC1)NC[C@H](c1cccc(F)c1)N1CCOCC1 Fc1cccc(c1)[*:1] O=S(=O)(CC1CCCCC1)NC[C@H](N1CCOCC1)[*:1]
O=S(=O)(CC1CCCCC1)NC[C@H](c1cccc(F)c1)N1CCOCC1 C1CN(CCO1)[*:1] O=S(=O)(CC1CCCCC1)NC[C@H](c1cccc(F)c1)[*:1]
O=S(=O)(CC1CCCCC1)NC[C@H](c1cccc(F)c1)N1CCOCC1 C1CCC(CC1)[*:1] O=S(=O)(C[*:1])NC[C@H](c1cccc(F)c1)N1CCOCC1
CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](Cn2cnc3ccccc32)[*:1])cc1
CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 CNC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1
CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 c1ccc2c(c1)ncn2[*:1] CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](C[*:1])c2ccc(F)cc2)cc1
CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 CNC(=O)c1ccc(cc1)[*:1] O=C(C=C[*:1])N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1
CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 c1ccc2c(c1)ncn2C[*:1] CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](c2ccc(F)cc2)[*:1])cc1
CC[NH2+][C@H]([C@@H]1CCOC2(CCCCC2)C1)[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] CC[NH2+][C@H]([C@@H]1CCOC2(CCCCC2)C1)[*:1]
CCCn1nnnc1CN(C)[C@@H](C)c1cccc(O)c1 CCC[*:1] C[C@@H](c1cccc(O)c1)N(C)Cc1nnnn1[*:1]
CC(C)(C)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)CC1 CC(C)(C)[*:1] CC(C)(C[NH2+][C@@H]1CCC[C@@H](CC1)[*:1])S(C)(=O)=O
CC(C)(C)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)CC1 CS(=O)(=O)[*:1] CC(C)(C)[C@H]1CCC[C@H](CC1)[NH2+]CC(C)(C)[*:1]
Cc1cc([C@@](C)(O)CNC(=O)C(=O)Nc2cc(C(C)(C)C)on2)c(C)o1 CC(C)(C)[*:1] Cc1cc(c(C)o1)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(on1)[*:1]
Cc1cc([C@@](C)(O)CNC(=O)C(=O)Nc2cc(C(C)(C)C)on2)c(C)o1 Cc1cc(c(C)o1)[*:1] CC(C)(C)c1cc(no1)NC(=O)C(=O)NC[C@@](C)(O)[*:1]
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C(=O)NC(C)C CC(C)[*:1] Cc1cc(ccc1NC(=O)C(=O)N[*:1])C(=O)N1CCC[C@@H](C)C1
O=C([C@H]1C[C@H]1c1ccco1)N1CCN(c2cccc[nH+]2)CC1 c1coc(c1)[*:1] O=C([C@H]1C[C@@H]1[*:1])N1CCN(CC1)c1cccc[nH+]1
Cc1nn(Cc2ccc(C(=O)Nc3cc(C[NH+](C)C)n[nH]3)o2)c(C)c1Br Cc1nn(c(C)c1Br)[*:1] C[NH+](C)Cc1cc(NC(=O)c2ccc(C[*:1])o2)[nH]n1
NC(=O)c1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)o1 NC(=O)c1ccc(o1)[*:1] O=C(COc1cccc(c1)C(F)(F)F)NC[*:1]
NC(=O)c1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)o1 NC(=O)[*:1] O=C(COc1cccc(c1)C(F)(F)F)NCc1ccc(o1)[*:1]
NC(=O)c1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)o1 FC(F)(F)[*:1] NC(=O)c1ccc(CNC(=O)COc2cccc(c2)[*:1])o1
CC(C)(C)n1cc(NC(=O)Nc2ccccc2OCC2CC2)cn1 C1CC1CO[*:1] CC(C)(C)n1cc(cn1)NC(=O)Nc1ccccc1[*:1]
CC(C)(C)n1cc(NC(=O)Nc2ccccc2OCC2CC2)cn1 C1CC1C[*:1] CC(C)(C)n1cc(cn1)NC(=O)Nc1ccccc1O[*:1]
CC(C)(C)n1cc(NC(=O)Nc2ccccc2OCC2CC2)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)[*:1])Nc1ccccc1OCC1CC1
CC(C)(C)n1cc(NC(=O)Nc2ccccc2OCC2CC2)cn1 C1CC1[*:1] CC(C)(C)n1cc(cn1)NC(=O)Nc1ccccc1OC[*:1]
CN(Cc1ncnn1C)C(=O)Nc1ccccc1N1CCCC1=O Cn1ncnc1[*:1] CN(C[*:1])C(=O)Nc1ccccc1N1CCCC1=O
CN(Cc1ncnn1C)C(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] CN(Cc1ncnn1C)C(=O)Nc1ccccc1[*:1]
CN(Cc1ncnn1C)C(=O)Nc1ccccc1N1CCCC1=O Cn1ncnc1C[*:1] CN(C(=O)Nc1ccccc1N1CCCC1=O)[*:1]
C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 C=CC[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)O[*:1]
C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 C=CCO[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)[*:1] C=CCOc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] C=CCOc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
CC[C@H](C)[C@H](NC(=O)C1CCOCC1)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)C1CCOCC1)[*:1]
CC[C@H](C)[C@H](NC(=O)C1CCOCC1)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@@H](NC(=O)C1CCOCC1)[*:1]
Cc1cc(Br)ccc1SCC(=O)NCC(=O)NC1CC1 C1CC1[*:1] Cc1cc(Br)ccc1SCC(=O)NCC(=O)N[*:1]
Cc1cc(Br)ccc1SCC(=O)NCC(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1cc(Br)ccc1SCC(=O)NC[*:1]
O=C(COc1ccc(Oc2ccccn2)cc1)NC[C@@H]1CCCO1 c1ccc(nc1)O[*:1] O=C(COc1ccc(cc1)[*:1])NC[C@@H]1CCCO1
O=C(COc1ccc(Oc2ccccn2)cc1)NC[C@@H]1CCCO1 c1ccc(nc1)[*:1] O=C(COc1ccc(cc1)O[*:1])NC[C@@H]1CCCO1
CCN(C(=O)c1ccccc1C(=O)[O-])[C@H](CCO)c1ccccc1 OCC[*:1] CCN(C(=O)c1ccccc1C(=O)[O-])[C@H](c1ccccc1)[*:1]
CCN(C(=O)c1ccccc1C(=O)[O-])[C@H](CCO)c1ccccc1 O=C([O-])[*:1] CCN(C(=O)c1ccccc1[*:1])[C@H](CCO)c1ccccc1
CCN(C(=O)c1ccccc1C(=O)[O-])[C@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1ccccc1C(=O)[O-])[C@H](CCO)[*:1]
CCc1ccc(Nc2ncnc(N[C@H](C)CC)c2[N+](=O)[O-])cc1 CC[C@@H](C)[*:1] CCc1ccc(cc1)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
CCc1ccc(Nc2ncnc(N[C@H](C)CC)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)Nc1ncnc(N[C@H](C)CC)c1[*:1]
CCc1ccc(Nc2ncnc(N[C@H](C)CC)c2[N+](=O)[O-])cc1 CC[C@@H](C)N[*:1] CCc1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 COc1cccc(c1)O[*:1] O=C(c1ccncc1)N1CCC[C@@H](C1)c1cncc(n1)[*:1]
COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)Oc1cncc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 COc1cccc(c1)[*:1] O=C(c1ccncc1)N1CCC[C@@H](C1)c1cncc(n1)O[*:1]
Cn1ccs/c1=N\C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 Clc1ccc(Cl)c(c1)[*:1] Cn1ccs/c1=N\C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cn1C c1ccc(cc1)[*:1] CCOC(=O)c1cc(cn1C)S(=O)(=O)N1CCC(CC1)C[*:1]
CCOC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cn1C CCOC(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)N1CCC(CC1)Cc1ccccc1
CCOC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cn1C c1ccc(cc1)C[*:1] CCOC(=O)c1cc(cn1C)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccnc1)N(c1nc(C)c(C)s1)C3=O Cc1nc(sc1C)[*:1] Cc1cc2oc3C(=O)N([C@@H](c4cccnc4)c3c(=O)c2cc1Cl)[*:1]
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccnc1)N(c1nc(C)c(C)s1)C3=O c1cncc(c1)[*:1] Cc1cc2oc3C(=O)N(c4nc(C)c(C)s4)[C@@H](c3c(=O)c2cc1Cl)[*:1]
C[C@H](N)c1cc[nH+]c(N2C[C@@H](C)O[C@H](C)C2)c1 C[C@H](N)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1cc(cc[nH+]1)[*:1]
CC(C)OC(=O)CCNC(=O)c1cc2ccccc2c2cccnc12 CC(C)OC(=O)CC[*:1] O=C(N[*:1])c1cc2ccccc2c2cccnc12
CC(C)OC(=O)CCNC(=O)c1cc2ccccc2c2cccnc12 CC(C)OC(=O)[*:1] O=C(NCC[*:1])c1cc2ccccc2c2cccnc12
CC(C)OC(=O)CCNC(=O)c1cc2ccccc2c2cccnc12 CC(C)OC(=O)C[*:1] O=C(NC[*:1])c1cc2ccccc2c2cccnc12
CC(C)OC(=O)CCNC(=O)c1cc2ccccc2c2cccnc12 CC(C)[*:1] O=C(CCNC(=O)c1cc2ccccc2c2cccnc12)O[*:1]
Cc1nc(-c2cccs2)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 c1csc(c1)[*:1] Cc1nc(sc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O)[*:1]
Cc1nc(-c2cccs2)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cc1nc(sc1C(=O)NCCc1ccc(cc1)[*:1])-c1cccs1
Cc1cc(C(=O)CN2CCCC[C@H]2CN2CCCC2=O)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)CN2CCCC[C@H]2CN2CCCC2=O)c(C)n1[*:1]
Cc1cc(C(=O)CN2CCCC[C@H]2CN2CCCC2=O)c(C)n1C1CC1 O=C1CCCN1[*:1] Cc1cc(C(=O)CN2CCCC[C@H]2C[*:1])c(C)n1C1CC1
Cc1cc(C(=O)CN2CCCC[C@H]2CN2CCCC2=O)c(C)n1C1CC1 O=C1CCCN1C[*:1] Cc1cc(C(=O)CN2CCCC[C@@H]2[*:1])c(C)n1C1CC1
CCCN1C(=O)CCc2cc(NC(=O)CCCc3ccccc3)ccc21 c1ccc(cc1)C[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)CC[*:1]
CCCN1C(=O)CCc2cc(NC(=O)CCCc3ccccc3)ccc21 c1ccc(cc1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)CCC[*:1]
CCCN1C(=O)CCc2cc(NC(=O)CCCc3ccccc3)ccc21 c1ccc(cc1)CC[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)C[*:1]
CCCN1C(=O)CCc2cc(NC(=O)CCCc3ccccc3)ccc21 CCC[*:1] O=C(CCCc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)c1cc(C)nc2c1c(C)nn2[*:1]
CCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1 CCOc1ccc(cc1)[*:1] Cc1cc(C(=O)N[*:1])c2c(C)nn(-c3ccc(F)cc3)c2n1
CCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1 CCO[*:1] Cc1cc(C(=O)Nc2ccc(cc2)[*:1])c2c(C)nn(-c3ccc(F)cc3)c2n1
CCC(=O)N1CCC(c2nccnc2Oc2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)c1nccnc1O[*:1]
CC(C)n1nc(CC(=O)Nc2cccc3c2ccn3C(C)C)c2ccccc2c1=O CC(C)[*:1] CC(C)n1nc(CC(=O)Nc2cccc3c2ccn3[*:1])c2ccccc2c1=O
CC(C)n1nc(CC(=O)Nc2cccc3c2ccn3C(C)C)c2ccccc2c1=O CC(C)[*:1] CC(C)n1ccc2c(cccc21)NC(=O)Cc1nn(c(=O)c2ccccc12)[*:1]
O=C(CC(F)(F)F)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 FC(F)(F)C[*:1] O=C(N1CC[C@H](C1)C1CCN(CC1)c1ncccn1)[*:1]
O=C(CC(F)(F)F)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 c1cnc(nc1)[*:1] O=C(CC(F)(F)F)N1CC[C@H](C1)C1CCN(CC1)[*:1]
O=C(CC(F)(F)F)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 FC(F)(F)[*:1] O=C(C[*:1])N1CC[C@H](C1)C1CCN(CC1)c1ncccn1
COc1cc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c(Br)c(OC)c1OC Cc1ccc(C)c(c1)[*:1] COc1cc(C(=O)Nc2nc(cs2)[*:1])c(Br)c(OC)c1OC
CCN(Cc1ccccc1C)C(=O)NCCn1c(C)nc2ccccc21 Cc1ccccc1C[*:1] CCN(C(=O)NCCn1c(C)nc2ccccc21)[*:1]
CCN(Cc1ccccc1C)C(=O)NCCn1c(C)nc2ccccc21 Cc1ccccc1[*:1] CCN(C[*:1])C(=O)NCCn1c(C)nc2ccccc21
COc1cc([C@@H]2CC(=O)NC3=NC(C)=NC(=O)[C@@H]32)ccc1OCc1ccccc1Cl Clc1ccccc1CO[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(=O)NC2=NC(C)=NC(=O)[C@@H]21
COc1cc([C@@H]2CC(=O)NC3=NC(C)=NC(=O)[C@@H]32)ccc1OCc1ccccc1Cl Clc1ccccc1[*:1] COc1cc(ccc1OC[*:1])[C@@H]1CC(=O)NC2=NC(C)=NC(=O)[C@@H]21
COc1cc([C@@H]2CC(=O)NC3=NC(C)=NC(=O)[C@@H]32)ccc1OCc1ccccc1Cl Clc1ccccc1C[*:1] COc1cc(ccc1O[*:1])[C@@H]1CC(=O)NC2=NC(C)=NC(=O)[C@@H]21
CC[C@@H](C)c1ccc(NC(=O)CSc2nccn2C)cc1 CC[C@@H](C)[*:1] Cn1ccnc1SCC(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)c1ccc(NC(=O)CSc2nccn2C)cc1 Cn1ccnc1[*:1] CC[C@@H](C)c1ccc(cc1)NC(=O)CS[*:1]
CC[C@@H](C)c1ccc(NC(=O)CSc2nccn2C)cc1 Cn1ccnc1S[*:1] CC[C@@H](C)c1ccc(cc1)NC(=O)C[*:1]
COCc1cc(NC(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)ncn1 c1ccc(cc1)[*:1] COCc1cc(ncn1)NC(=O)N1C[C@@H](C(C)(C)C1)[*:1]
COCc1cc(NC(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)ncn1 COC[*:1] CC1(C)CN(C[C@H]1c1ccccc1)C(=O)Nc1cc(ncn1)[*:1]
CC(C)[C@@H](CO)NC(=O)CCOc1ccccc1 CC(C)[*:1] O=C(CCOc1ccccc1)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)CCOc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](CO)NC(=O)CCO[*:1]
CC(C)[C@@H](CO)NC(=O)CCOc1ccccc1 CC(C)[C@@H](CO)[*:1] O=C(CCOc1ccccc1)N[*:1]
CC(C)NC(=O)C1CCN(Cc2nc3ccccc3n2C(F)F)CC1 FC(F)[*:1] CC(C)NC(=O)C1CCN(CC1)Cc1nc2ccccc2n1[*:1]
CC(C)NC(=O)C1CCN(Cc2nc3ccccc3n2C(F)F)CC1 CC(C)NC(=O)[*:1] FC(F)n1c(CN2CCC(CC2)[*:1])nc2ccccc21
CC(C)NC(=O)C1CCN(Cc2nc3ccccc3n2C(F)F)CC1 CC(C)[*:1] O=C(N[*:1])C1CCN(CC1)Cc1nc2ccccc2n1C(F)F
CC(C)OCCS(=O)(=O)NC1(C(N)=[NH2+])CCCCCC1 NC(=[NH2+])[*:1] CC(C)OCCS(=O)(=O)NC1(CCCCCC1)[*:1]
CC(C)OCCS(=O)(=O)NC1(C(N)=[NH2+])CCCCCC1 CC(C)OC[*:1] NC(=[NH2+])C1(CCCCCC1)NS(=O)(=O)C[*:1]
CC(C)OCCS(=O)(=O)NC1(C(N)=[NH2+])CCCCCC1 CC(C)[*:1] NC(=[NH2+])C1(CCCCCC1)NS(=O)(=O)CCO[*:1]
CC(C)OCCS(=O)(=O)NC1(C(N)=[NH2+])CCCCCC1 CC(C)O[*:1] NC(=[NH2+])C1(CCCCCC1)NS(=O)(=O)CC[*:1]
CC(C)OCCS(=O)(=O)NC1(C(N)=[NH2+])CCCCCC1 CC(C)OCC[*:1] NC(=[NH2+])C1(CCCCCC1)NS(=O)(=O)[*:1]
Cc1ccc(CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)cc1 Cc1ccc(cc1)C[*:1] O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)N[*:1]
Cc1ccc(CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)cc1 Cc1ccc(cc1)[*:1] O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NC[*:1]
CCn1cc(C(=O)NCc2ccc(C)cc2)c(S(=O)(=O)N2CCC(C)CC2)n1 Cc1ccc(cc1)[*:1] CCn1cc(C(=O)NC[*:1])c(n1)S(=O)(=O)N1CCC(C)CC1
CCn1cc(C(=O)NCc2ccc(C)cc2)c(S(=O)(=O)N2CCC(C)CC2)n1 Cc1ccc(cc1)C[*:1] CCn1cc(C(=O)N[*:1])c(n1)S(=O)(=O)N1CCC(C)CC1
C[C@H](CNC(=O)C1(c2cccc(F)c2)CC1)Cn1cc[nH+]c1 Fc1cccc(c1)[*:1] C[C@H](CNC(=O)C1(CC1)[*:1])Cn1cc[nH+]c1
CN(Cc1cnccn1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 c1cnc(cn1)C[*:1] CN(Cc1c[nH]nc1-c1ccc(cc1)-c1ccccc1)[*:1]
CN(Cc1cnccn1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 c1cnc(cn1)[*:1] CN(Cc1c[nH]nc1-c1ccc(cc1)-c1ccccc1)C[*:1]
CN(Cc1cnccn1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(Cc1cnccn1)Cc1c[nH]nc1-c1ccc(cc1)[*:1]
CN(Cc1cnccn1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 CN(Cc1cnccn1)[*:1] c1ccc(cc1)-c1ccc(cc1)-c1n[nH]cc1C[*:1]
C=CCOCC1CCN(C(=O)c2ccccc2SC)CC1 C=CCOC[*:1] CSc1ccccc1C(=O)N1CCC(CC1)[*:1]
C=CCOCC1CCN(C(=O)c2ccccc2SC)CC1 C=CC[*:1] CSc1ccccc1C(=O)N1CCC(CC1)CO[*:1]
C=CCOCC1CCN(C(=O)c2ccccc2SC)CC1 C=CCO[*:1] CSc1ccccc1C(=O)N1CCC(CC1)C[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H](C)c2ccsc2)cc1 CC(C)O[*:1] C[C@H](NC(=O)[C@@H](C)c1ccsc1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H](C)c2ccsc2)cc1 CC(C)[*:1] C[C@H](NC(=O)[C@@H](C)c1ccsc1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H](C)c2ccsc2)cc1 c1cc(cs1)[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)[C@@H](C)[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H](C)c2ccsc2)cc1 C[C@@H](c1ccsc1)[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)[*:1]
CCOCC(=O)NCc1cccnc1Oc1c(C)cccc1C CCOC[*:1] Cc1cccc(C)c1Oc1ncccc1CNC(=O)[*:1]
CCOCC(=O)NCc1cccnc1Oc1c(C)cccc1C CCO[*:1] Cc1cccc(C)c1Oc1ncccc1CNC(=O)C[*:1]
CCOCC(=O)NCc1cccnc1Oc1c(C)cccc1C CCOCC(=O)N[*:1] Cc1cccc(C)c1Oc1ncccc1C[*:1]
CCc1ccccc1NC(=O)C(=O)NCc1ncoc1C Cc1ocnc1[*:1] CCc1ccccc1NC(=O)C(=O)NC[*:1]
CCc1ccccc1NC(=O)C(=O)NCc1ncoc1C Cc1ocnc1C[*:1] CCc1ccccc1NC(=O)C(=O)N[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C CNC(=O)[C@@H](C)[*:1] CC(C)=C[C@H]1[C@@H](C(=O)N(C)C[*:1])C1(C)C
CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C CC(C)=C[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1[C@H](C1(C)C)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C CNC(=O)[*:1] CC(C)=C[C@H]1[C@@H](C(=O)N(C)C[C@H](C)[*:1])C1(C)C
Cc1ccc(-n2c(SCC(=O)NC(=O)NC3CCCC3)nnc2-c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1c(nnc1[*:1])SCC(=O)NC(=O)NC1CCCC1
Cc1ccc(-n2c(SCC(=O)NC(=O)NC3CCCC3)nnc2-c2ccccc2)cc1C C1CCC(C1)[*:1] Cc1ccc(cc1C)-n1c(nnc1-c1ccccc1)SCC(=O)NC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)NC(=O)NC3CCCC3)nnc2-c2ccccc2)cc1C Cc1ccc(cc1C)[*:1] O=C(CSc1nnc(-c2ccccc2)n1[*:1])NC(=O)NC1CCCC1
c1cc(-c2cc(NC3CC[NH2+]CC3)nc(-c3ccncc3)n2)ccn1 c1cc(ccn1)[*:1] c1cc(ccn1)-c1nc(cc(n1)[*:1])NC1CC[NH2+]CC1
c1cc(-c2cc(NC3CC[NH2+]CC3)nc(-c3ccncc3)n2)ccn1 c1cc(ccn1)[*:1] c1cc(ccn1)-c1cc(nc(n1)[*:1])NC1CC[NH2+]CC1
CC(C)c1cc(Br)ccc1NC(=O)NC[C@H](C)C[C@@H](C)O CC(C)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(Br)cc1[*:1]
CC(C)c1cc(Br)ccc1NC(=O)NC[C@H](C)C[C@@H](C)O C[C@@H](O)C[*:1] CC(C)c1cc(Br)ccc1NC(=O)NC[C@H](C)[*:1]
CC(C)c1cc(Br)ccc1NC(=O)NC[C@H](C)C[C@@H](C)O C[C@@H](O)[*:1] CC(C)c1cc(Br)ccc1NC(=O)NC[C@H](C)C[*:1]
CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1ccc(C)c([N-]S(C)(=O)=O)c1 Cc1ccc(cc1)C[*:1] CC[C@@H](NC(=O)c1ccc(C)c(c1)[N-]S(C)(=O)=O)[*:1]
CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1ccc(C)c([N-]S(C)(=O)=O)c1 Cc1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)c1ccc(C)c(c1)[N-]S(C)(=O)=O
Cc1cccc(C2(C(=O)NCc3cccnc3-n3ccnc3C)CC2)c1 Cc1cccc(c1)[*:1] Cc1nccn1-c1ncccc1CNC(=O)C1(CC1)[*:1]
Cc1cccc(C2(C(=O)NCc3cccnc3-n3ccnc3C)CC2)c1 Cc1nccn1[*:1] Cc1cccc(c1)C1(CC1)C(=O)NCc1cccnc1[*:1]
CCN(C)S(=O)(=O)N1CC[C@H](Cc2ccc(C(=O)[O-])cc2)C1 O=C([O-])[*:1] CCN(C)S(=O)(=O)N1CC[C@H](Cc2ccc(cc2)[*:1])C1
O=C(Cn1c(=O)cnc2ccccc21)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(Cn1c(=O)cnc2ccccc21)N1CCC(CC1)O[*:1]
O=C(Cn1c(=O)cnc2ccccc21)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Cn1c(=O)cnc2ccccc21)N1CCC(CC1)OC[*:1]
O=C(Cn1c(=O)cnc2ccccc21)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C(Cn1c(=O)cnc2ccccc21)N1CCC(CC1)[*:1]
CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(OC)cc1OC CCNC(=O)[*:1] COc1ccc(C(=O)N2c3ccccc3C[C@@H]2[*:1])c(c1)OC
COc1ccc(NC(=O)C(=O)NCCCn2ccc3ccccc32)c(Cl)c1 COc1ccc(c(Cl)c1)[*:1] O=C(NCCCn1ccc2ccccc21)C(=O)N[*:1]
COc1ccc(NC(=O)C(=O)NCCCn2ccc3ccccc32)c(Cl)c1 c1ccc2c(c1)ccn2[*:1] COc1ccc(NC(=O)C(=O)NCCC[*:1])c(Cl)c1
COC[C@@H](C)N1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1 COC[*:1] C[C@@H](N1CCN(CC1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[*:1]
COC[C@@H](C)N1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1 COC[C@@H](C)[*:1] O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCN(CC1)[*:1]
C=CCS(=O)(=O)c1ccc(Cl)c2ccccc12 C=CC[*:1] O=S(=O)(c1ccc(Cl)c2ccccc12)[*:1]
COCC1=C(C(=O)OC)[C@@H](c2cccs2)n2ncnc2N1 c1csc(c1)[*:1] COCC1Nc2ncnn2[C@H](C=1C(=O)OC)[*:1]
COCC1=C(C(=O)OC)[C@@H](c2cccs2)n2ncnc2N1 COC[*:1] COC(=O)C1=C(Nc2ncnn2[C@@H]1c1cccs1)[*:1]
COCC1=C(C(=O)OC)[C@@H](c2cccs2)n2ncnc2N1 COC(=O)[*:1] COCC1Nc2ncnn2[C@@H](C=1[*:1])c1cccs1
CCOC(=O)c1csc(N(C)C(=O)c2csc(C)n2)n1 Cc1nc(cs1)[*:1] CCOC(=O)c1csc(n1)N(C)C(=O)[*:1]
CCOC(=O)c1csc(N(C)C(=O)c2csc(C)n2)n1 CCOC(=O)[*:1] Cc1nc(cs1)C(=O)N(C)c1nc(cs1)[*:1]
O=S(=O)([N-]c1cn[nH]c1-c1ccccn1)c1ccc2ccccc2c1 c1ccc(nc1)[*:1] O=S(=O)([N-]c1cn[nH]c1[*:1])c1ccc2ccccc2c1
CCCc1nc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)no1 CCC[*:1] C1CC[NH+](CC1)C[C@@H]1CCN(Cc2noc(n2)[*:1])C1
COc1cc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)cc(OC)c1 CC(C)[*:1] COc1cc(cc(c1)OC)NC(=O)c1c2CCCc2nc2c1cnn2[*:1]
COc1ccc(/C(C)=N/NC(=O)[C@@H]2C=C(c3ccc4ccccc4c3)N=N2)cc1OC c1ccc2cc(ccc2c1)[*:1] COc1ccc(cc1OC)/C(C)=N/NC(=O)[C@@H]1C=C(N=N1)[*:1]
COc1ccc(/C(C)=N/NC(=O)[C@@H]2C=C(c3ccc4ccccc4c3)N=N2)cc1OC COc1ccc(cc1OC)[*:1] CC(=NNC(=O)[C@@H]1C=C(N=N1)c1ccc2ccccc2c1)[*:1]
COc1ccc([C@H](O)CNC(=O)NCc2cc(=O)[nH]c3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)NC[C@@H](O)[*:1]
O=C([O-])c1cc([C@@H]2C=NN=C2c2ccc(F)cc2)c2c(ccc3ccccc32)n1 Fc1ccc(cc1)[*:1] O=C([O-])c1cc(c2c(ccc3ccccc32)n1)[C@@H]1C=NN=C1[*:1]
O=C([O-])c1cc([C@@H]2C=NN=C2c2ccc(F)cc2)c2c(ccc3ccccc32)n1 O=C([O-])[*:1] Fc1ccc(cc1)C1=NN=C[C@H]1c1cc(nc2ccc3ccccc3c12)[*:1]
CC(C)(C)SCC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 CC(C)(C)SC[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])c1ccccc1F
CC(C)(C)SCC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 CC(C)(C)S[*:1] O=C(NC1CCN(CC1)C(=O)C[*:1])c1ccccc1F
CC(C)(C)SCC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CC(C)(C)SCC(=O)N1CCC(CC1)NC(=O)[*:1]
CC(C)(C)SCC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 CC(C)(C)[*:1] O=C(NC1CCN(CC1)C(=O)CS[*:1])c1ccccc1F
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cn1cnc2ccccc2c1=O NC(=O)[*:1] C[C@H]1CC[C@@H](CN1C(=O)Cn1cnc2ccccc2c1=O)[*:1]
CCC1(CNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 C1CO[C@@H](C1)[*:1] CCC1(CC1)CNC(=O)Nc1cnn(c1)C[*:1]
CCC1(CNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 CCC1(CC1)C[*:1] O=C(Nc1cnn(c1)C[C@@H]1CCCO1)N[*:1]
CCC1(CNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])Nc1cnn(c1)C[C@@H]1CCCO1
CCC1(CNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 C1CO[C@@H](C1)C[*:1] CCC1(CC1)CNC(=O)Nc1cnn(c1)[*:1]
Cc1ccccc1CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 Cc1ccccc1C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)[*:1])n2Cc1cccc(Cl)c1
Cc1ccccc1CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] Cc1ccccc1CN1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
Cc1ccccc1CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] Cc1ccccc1CN1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
Cc1ccccc1CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 Cc1ccccc1[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)C[*:1])n2Cc1cccc(Cl)c1
COc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2)N(c2ccccc2)C3=O)cc1 COc1ccc(cc1)[*:1] O=C1c2n[nH]c(c2[C@@H](c2ccccc2)N1c1ccccc1)[*:1]
COc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2)N(c2ccccc2)C3=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1[nH]nc2C(=O)N([C@H](c3ccccc3)c21)[*:1]
COc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2)N(c2ccccc2)C3=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1[nH]nc2C(=O)N(c3ccccc3)[C@H](c21)[*:1]
Cc1ccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cc1F c1ccc(nc1)[*:1] Cc1ccc(cc1F)C(=O)Nc1cc(F)ccc1NC(=O)[*:1]
Cc1ccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cc1F Cc1ccc(cc1F)[*:1] O=C(Nc1ccc(F)cc1NC(=O)[*:1])c1ccccn1
Cc1ccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cc1F O=C(N[*:1])c1ccccn1 Cc1ccc(cc1F)C(=O)Nc1cc(F)ccc1[*:1]
O=C(OCc1cc(-c2ccco2)on1)c1cc(-c2ccc(F)cc2)n[nH]1 c1coc(c1)[*:1] O=C(OCc1cc(on1)[*:1])c1cc(n[nH]1)-c1ccc(F)cc1
O=C(OCc1cc(-c2ccco2)on1)c1cc(-c2ccc(F)cc2)n[nH]1 Fc1ccc(cc1)[*:1] O=C(OCc1cc(on1)-c1ccco1)c1cc(n[nH]1)[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(C#N)cc2)o1 N#Cc1ccc(cc1)[*:1] CCc1ccc(o1)[C@@H]1COCCN1C(=O)N[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(C#N)cc2)o1 CCc1ccc(o1)[*:1] N#Cc1ccc(cc1)NC(=O)N1CCOC[C@H]1[*:1]
C=CCSc1ccccc1C(=O)[O-] C=CCS[*:1] O=C([O-])c1ccccc1[*:1]
C=CCSc1ccccc1C(=O)[O-] C=CC[*:1] O=C([O-])c1ccccc1S[*:1]
C=CCSc1ccccc1C(=O)[O-] O=C([O-])[*:1] C=CCSc1ccccc1[*:1]
CCSC[C@H](C)N(C)C(=O)[C@H]1CCC(=O)O1 CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)[C@H]1CCC(=O)O1
CCSC[C@H](C)N(C)C(=O)[C@H]1CCC(=O)O1 CCSC[*:1] C[C@H](N(C)C(=O)[C@H]1CCC(=O)O1)[*:1]
Cc1ccccc1OCC(=O)NC[C@H]1C[NH+]2CCN1CC2 Cc1ccccc1[*:1] O=C(CO[*:1])NC[C@H]1C[NH+]2CCN1CC2
Cn1c(=O)c2ccccc2n2c(SCc3ccc(Cl)c(Cl)c3)nnc12 Clc1ccc(cc1Cl)[*:1] Cn1c(=O)c2ccccc2n2c(nnc12)SC[*:1]
COc1ccc(/C=N\NC(=O)c2cc[nH]n2)cc1COc1ccc(Cl)cc1Cl Clc1ccc(O[*:1])c(Cl)c1 COc1ccc(/C=N\NC(=O)c2cc[nH]n2)cc1C[*:1]
COc1ccc(/C=N\NC(=O)c2cc[nH]n2)cc1COc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COc1ccc(/C=N\NC(=O)c2cc[nH]n2)cc1CO[*:1]
CCOCCC(=O)N(Cc1ccccc1)c1nc2cc(C)cc(C)c2s1 CCOC[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1ccccc1)C(=O)C[*:1]
CCOCCC(=O)N(Cc1ccccc1)c1nc2cc(C)cc(C)c2s1 CCO[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1ccccc1)C(=O)CC[*:1]
CCOCCC(=O)N(Cc1ccccc1)c1nc2cc(C)cc(C)c2s1 c1ccc(cc1)C[*:1] CCOCCC(=O)N(c1nc2cc(C)cc(C)c2s1)[*:1]
CCOCCC(=O)N(Cc1ccccc1)c1nc2cc(C)cc(C)c2s1 c1ccc(cc1)[*:1] CCOCCC(=O)N(C[*:1])c1nc2cc(C)cc(C)c2s1
CCOCCC(=O)N(Cc1ccccc1)c1nc2cc(C)cc(C)c2s1 CCOCC[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1ccccc1)C(=O)[*:1]
Cc1ccc(NC(=O)Nc2c(N3CCCC3)c3ccccc3oc2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(Nc1c(c2ccccc2oc1=O)N1CCCC1)N[*:1]
Cc1ccc(NC(=O)Nc2c(N3CCCC3)c3ccccc3oc2=O)cc1Cl C1CCN(C1)[*:1] Cc1ccc(cc1Cl)NC(=O)Nc1c(c2ccccc2oc1=O)[*:1]
CCC[C@H](C)c1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 CCC[*:1] C[C@H](c1nnc(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])s1)[*:1]
CCC[C@H](C)c1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 O=[N+]([O-])[*:1] CCC[C@H](C)c1nnc(NC(=O)/C=C/c2ccc(cc2)[*:1])s1
CCC[C@H](C)c1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 CCC[C@H](C)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])Nc1nnc(s1)[*:1]
CC[NH2+][C@@H]1CCN(CC[C@@H]2CCCO2)[C@H](C)[C@@H]1C C1CO[C@@H](C1)C[*:1] CC[NH2+][C@@H]1CCN(C[*:1])[C@H](C)[C@@H]1C
CC[NH2+][C@@H]1CCN(CC[C@@H]2CCCO2)[C@H](C)[C@@H]1C C1CO[C@@H](C1)[*:1] CC[NH2+][C@@H]1CCN(CC[*:1])[C@H](C)[C@@H]1C
C=CCNC(=O)NC[C@](O)(c1ccccc1)C1CC1 C=CC[*:1] O=C(NC[C@](O)(c1ccccc1)C1CC1)N[*:1]
C=CCNC(=O)NC[C@](O)(c1ccccc1)C1CC1 C1CC1[*:1] C=CCNC(=O)NC[C@](O)(c1ccccc1)[*:1]
C=CCNC(=O)NC[C@](O)(c1ccccc1)C1CC1 c1ccc(cc1)[*:1] C=CCNC(=O)NC[C@](O)(C1CC1)[*:1]
Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(Cl)s4)CC3)sc2c1 Clc1ccc(C[*:1])s1 Cc1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(Cl)s4)CC3)sc2c1 Clc1ccc(s1)[*:1] Cc1ccc2nc(sc2c1)N1CCN(CC1)C(=O)C[*:1]
CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2CC)C1=O CCC[*:1] CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C[*:1])(C1=O)c1ccccc1
CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2CC)C1=O CCCC[*:1] CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C1=O)(c1ccccc1)[*:1]
CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2CC)C1=O c1ccc(cc1)[*:1] CCCC[C@]1(NC(=O)N(CC(=O)N2CCCC[C@@H]2CC)C1=O)[*:1]
CC(C)(C)c1ncc(CNC[C@@H](O)c2ccccc2Cl)s1 CC(C)(C)[*:1] O[C@H](CNCc1cnc(s1)[*:1])c1ccccc1Cl
CC(C)(C)c1ncc(CNC[C@@H](O)c2ccccc2Cl)s1 Clc1ccccc1[*:1] CC(C)(C)c1ncc(CNC[C@@H](O)[*:1])s1
CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 CC[C@@H](C)C[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 CC[C@@H](C)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 Cc1ccc(cc1)[*:1] CC[C@@H](C)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
CC(C)CNC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 CC(C)[*:1] O=C(Cc1csc(n1)Nc1cccc(c1)C(F)(F)F)NC[*:1]
CC(C)CNC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 CC(C)CNC(=O)[*:1] FC(F)(F)c1cccc(c1)Nc1nc(cs1)C[*:1]
CC(C)CNC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 CC(C)CNC(=O)C[*:1] FC(F)(F)c1cccc(c1)Nc1nc(cs1)[*:1]
CC(C)CNC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] CC(C)CNC(=O)Cc1csc(n1)Nc1cccc(c1)[*:1]
CC(C)CNC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 CC(C)C[*:1] O=C(Cc1csc(n1)Nc1cccc(c1)C(F)(F)F)N[*:1]
CC(=O)N[C@H](CC(=O)Nc1c2c(nn1-c1ccccc1)CCC2)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@H](CC(=O)Nc1c2CCCc2nn1-c1ccccc1)[*:1]
CC(=O)N[C@H](CC(=O)Nc1c2c(nn1-c1ccccc1)CCC2)c1cccs1 c1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Nc1c2CCCc2nn1[*:1])c1cccs1
CC(=O)N[C@H](CC(=O)Nc1c2c(nn1-c1ccccc1)CCC2)c1cccs1 CC(=O)N[*:1] O=C(C[C@H](c1cccs1)[*:1])Nc1c2CCCc2nn1-c1ccccc1
O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1nc2ccccc2o1 O=[N+]([O-])[*:1] O=c1oc2cc(ccc2n1Cc1nc2ccccc2o1)[*:1]
CCn1cc(C#N)c(=O)n(Cc2coc(-c3ccc(Cl)cc3)n2)c1=O Clc1ccc(cc1)[*:1] CCn1cc(C#N)c(=O)n(Cc2coc(n2)[*:1])c1=O
Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1ccc(OC(C)C)cc1)CC(=O)N2 CC(C)Oc1ccc(cc1)[*:1] Cc1nn(-c2nncc(n2)-c2ccccc2)c2NC(=O)C[C@H](c12)[*:1]
Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1ccc(OC(C)C)cc1)CC(=O)N2 CC(C)[*:1] Cc1nn(-c2nncc(n2)-c2ccccc2)c2NC(=O)C[C@H](c3ccc(cc3)O[*:1])c12
Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1ccc(OC(C)C)cc1)CC(=O)N2 c1ccc(cc1)[*:1] Cc1nn(-c2nncc(n2)[*:1])c2NC(=O)C[C@H](c3ccc(cc3)OC(C)C)c12
Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1ccc(OC(C)C)cc1)CC(=O)N2 CC(C)O[*:1] Cc1nn(-c2nncc(n2)-c2ccccc2)c2NC(=O)C[C@H](c3ccc(cc3)[*:1])c12
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCN(c2cccc(C)c2C)CC1 Cc1cccc(c1C)[*:1] COc1ccc(cc1C(=O)N1CCN(CC1)[*:1])S(=O)(=O)N1CCCCCC1
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCN(c2cccc(C)c2C)CC1 O=S(=O)(N1CCCCCC1)[*:1] COc1ccc(cc1C(=O)N1CCN(CC1)c1cccc(C)c1C)[*:1]
C[C@@H](C(=O)N1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 C1CCN(C1)[*:1] C[C@@H](C(=O)N1CCC[C@H](C1)c1nn(C)cc1-c1ccnc(n1)[*:1])c1ccccc1
C[C@@H](C(=O)N1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCC[C@H](C1)c1nn(C)cc1-c1ccnc(n1)N1CCCC1)[*:1]
C[C@@H](C(=O)N1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 c1cc(nc(n1)N1CCCC1)[*:1] C[C@@H](C(=O)N1CCC[C@H](C1)c1nn(C)cc1[*:1])c1ccccc1
C[C@@H](C(=O)N1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] Cn1cc(-c2ccnc(n2)N2CCCC2)c(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(C(=O)NC[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NC[C@@](C)(O)[*:1]
Cc1ccc(C(=O)NC[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NC[C@@](C)(O)c1ccccc1
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCCOc2ccc(Cl)cc2)C1 Clc1ccc(cc1)O[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NCC[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCCOc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NCCO[*:1]
COc1ccc(N2C[C@@H](C(=O)NN3CC(=O)NC3=O)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C1CN(NC(=O)[C@H]2CC(=O)N(C2)[*:1])C(=O)N1
Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(c2cnccn2)CC1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1C(=O)N1CCN(CC1)c1cnccn1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(CC1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(c2cnccn2)CC1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1C(=O)N1CCN(CC1)c1cnccn1
Cc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)c(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C(=O)NCC2(CCOCC2)[NH+](C)C)c(N)c(c1)[*:1]
CC[C@H](CNC(=O)N1CCC[C@H](COC)C1)Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] CC[C@H](CNC(=O)N1CCC[C@H](COC)C1)[*:1]
CC[C@H](CNC(=O)N1CCC[C@H](COC)C1)Oc1cccc(F)c1 COC[*:1] CC[C@H](CNC(=O)N1CCC[C@H](C1)[*:1])Oc1cccc(F)c1
CC[C@H](CNC(=O)N1CCC[C@H](COC)C1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@H](CNC(=O)N1CCC[C@H](COC)C1)O[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)S[C@@H](C)C3)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nc2C[C@H](C)Sc2c1=O)SCC(=O)N[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)S[C@@H](C)C3)cc1 CC(=O)N[*:1] Cc1ccc(cc1)-n1c(nc2C[C@H](C)Sc2c1=O)SCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)S[C@@H](C)C3)cc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CSc1nc2C[C@H](C)Sc2c(=O)n1[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)NC1CCSCC1 C1CC(CCS1)[*:1] C[C@@H](O)CC(C)(C)CNC(=O)N[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)NC1CCSCC1 C[C@@H](O)[*:1] CC(C)(CNC(=O)NC1CCSCC1)C[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)NC1CCSCC1 C[C@@H](O)C[*:1] CC(C)(CNC(=O)NC1CCSCC1)[*:1]
CC(C)C[C@@H](C[NH2+]Cc1ccc([O-])c[nH+]1)N1CCOCC1 CC(C)C[*:1] [O-]c1ccc(C[NH2+]C[C@@H](N2CCOCC2)[*:1])[nH+]c1
CC(C)C[C@@H](C[NH2+]Cc1ccc([O-])c[nH+]1)N1CCOCC1 CC(C)[*:1] [O-]c1ccc(C[NH2+]C[C@H](C[*:1])N2CCOCC2)[nH+]c1
CC(C)C[C@@H](C[NH2+]Cc1ccc([O-])c[nH+]1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@@H](C[NH2+]Cc1ccc([O-])c[nH+]1)[*:1]
Cn1ccnc1[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(F)cc1 Cn1ccnc1[*:1] C[C@]1(NC(=O)N(CC(=O)N[C@@H](c2ccc(F)cc2)[*:1])C1=O)C1CC1
Cn1ccnc1[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)CN1C(=O)N[C@](C)(C1=O)C1CC1)[*:1]
Cn1ccnc1[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(F)cc1 C1CC1[*:1] Cn1ccnc1[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1])c1ccc(F)cc1
COc1cccc(OCC(=O)Nc2cc(C)nn2-c2nc3c(F)cccc3s2)c1 COc1cccc(c1)[*:1] Cc1cc(NC(=O)CO[*:1])n(n1)-c1nc2c(F)cccc2s1
COc1cccc(OCC(=O)Nc2cc(C)nn2-c2nc3c(F)cccc3s2)c1 COc1cccc(c1)O[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1nc2c(F)cccc2s1
O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2cccc(F)c2)CC1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])C1CCN(CC1)C(=O)c1cccc(F)c1
O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2cccc(F)c2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccc(F)c1
O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])C1CCN(CC1)C(=O)[*:1]
COc1ccc(C)cc1Nc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(C)cc1Nc1ncnc(c1[*:1])-n1cnc2ccccc21
COc1ccc(C)cc1Nc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-] c1ccc2c(c1)ncn2[*:1] COc1ccc(C)cc1Nc1ncnc(c1[N+](=O)[O-])[*:1]
COc1ccc(C)cc1Nc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-] COc1ccc(C)cc1[*:1] O=[N+]([O-])c1c(ncnc1-n1cnc2ccccc21)N[*:1]
N#Cc1ccc(Cl)c(NC(=O)N[C@@H](CCO)c2cccs2)c1 c1csc(c1)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)N[C@@H](CCO)[*:1]
N#Cc1ccc(Cl)c(NC(=O)N[C@@H](CCO)c2cccs2)c1 OCC[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)N[C@@H](c1cccs1)[*:1]
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)C)cc1 CC(=O)N[*:1] CC(C)[C@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)C)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C(=O)N[C@H](C(C)C)[*:1]
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)C)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C(=O)N[C@H](c1ccccc1)[*:1]
CC[C@@H](C)SC[C@@H]([NH2+]C)c1cscc1Br CC[C@@H](C)[*:1] C[NH2+][C@H](CS[*:1])c1cscc1Br
CC[C@@H](C)SC[C@@H]([NH2+]C)c1cscc1Br CC[C@@H](C)S[*:1] C[NH2+][C@H](C[*:1])c1cscc1Br
COc1cccc2sc(N(Cc3ccncc3)C(=O)c3ccc(SC(C)C)cc3)nc12 c1cc(ccn1)C[*:1] COc1cccc2sc(nc12)N(C(=O)c1ccc(cc1)SC(C)C)[*:1]
COc1cccc2sc(N(Cc3ccncc3)C(=O)c3ccc(SC(C)C)cc3)nc12 CC(C)[*:1] COc1cccc2sc(nc12)N(Cc1ccncc1)C(=O)c1ccc(cc1)S[*:1]
COc1cccc2sc(N(Cc3ccncc3)C(=O)c3ccc(SC(C)C)cc3)nc12 c1cc(ccn1)[*:1] COc1cccc2sc(nc12)N(C[*:1])C(=O)c1ccc(cc1)SC(C)C
COc1cccc2sc(N(Cc3ccncc3)C(=O)c3ccc(SC(C)C)cc3)nc12 CC(C)Sc1ccc(cc1)[*:1] COc1cccc2sc(nc12)N(Cc1ccncc1)C(=O)[*:1]
COc1cccc2sc(N(Cc3ccncc3)C(=O)c3ccc(SC(C)C)cc3)nc12 CC(C)S[*:1] COc1cccc2sc(nc12)N(Cc1ccncc1)C(=O)c1ccc(cc1)[*:1]
Cc1cncc(NC(=O)C(=O)NC[C@H](C)N2CCOC[C@@H]2C)c1 C[C@H]1COCCN1[*:1] Cc1cncc(c1)NC(=O)C(=O)NC[C@H](C)[*:1]
Cc1cncc(NC(=O)C(=O)NC[C@H](C)N2CCOC[C@@H]2C)c1 Cc1cncc(c1)[*:1] C[C@@H](CNC(=O)C(=O)N[*:1])N1CCOC[C@@H]1C
CCc1nn(C)cc1NC(=O)NC[C@H](C)C(=O)OC(C)C CC(C)[*:1] CCc1nn(C)cc1NC(=O)NC[C@H](C)C(=O)O[*:1]
CCc1nn(C)cc1NC(=O)NC[C@H](C)C(=O)OC(C)C CC(C)OC(=O)[*:1] CCc1nn(C)cc1NC(=O)NC[C@H](C)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCCCCC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCCCCC1)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCCCCC1)c1ccc(Br)cc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccc(Br)cc1)[*:1])N1CCCCCC1
CCn1cc[nH+]c1CN1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCn1cc[nH+]c1CN1CCC[C@H]1c1cncc(n1)O[*:1]
CCn1cc[nH+]c1CN1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 Fc1ccc(cc1)O[*:1] CCn1cc[nH+]c1CN1CCC[C@H]1c1cncc(n1)[*:1]
C[C@@H]1CC[C@H](NC(=O)C[NH2+]C(C)(C)C)[C@@H]1C CC(C)(C)[*:1] C[C@@H]1CC[C@H](NC(=O)C[NH2+][*:1])[C@@H]1C
CCOCCN(C)C(=O)N[C@@H](C)c1ccncc1 CCOC[*:1] C[C@H](NC(=O)N(C)C[*:1])c1ccncc1
CCOCCN(C)C(=O)N[C@@H](C)c1ccncc1 CCOCC[*:1] C[C@H](NC(=O)N(C)[*:1])c1ccncc1
CCOCCN(C)C(=O)N[C@@H](C)c1ccncc1 CCO[*:1] C[C@H](NC(=O)N(C)CC[*:1])c1ccncc1
CCOCCN(C)C(=O)N[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] CCOCCN(C)C(=O)N[C@@H](C)[*:1]
CC(C)(C)Oc1cc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccn1 O=[N+]([O-])[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)c1c(Cl)cccc1[*:1]
CC(C)(C)Oc1cc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])c1c(Cl)cccc1[N+](=O)[O-]
CC(C)(C)Oc1cc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])c1c(Cl)cccc1[N+](=O)[O-]
CC(C)[NH+](C)Cc1cccc(CNC(=O)c2cnc(-c3cnn(C)c3)s2)c1 Cn1cc(cn1)[*:1] CC(C)[NH+](C)Cc1cccc(c1)CNC(=O)c1cnc(s1)[*:1]
CC(C)[NH+](C)Cc1cccc(CNC(=O)c2cnc(-c3cnn(C)c3)s2)c1 CC(C)[*:1] Cn1cc(cn1)-c1ncc(s1)C(=O)NCc1cccc(c1)C[NH+](C)[*:1]
CC[C@H](CO)CNc1nc2sc3c(c2c2ncnn12)C[C@@H](C)CC3 CC[C@H](CO)C[*:1] C[C@H]1CCc2sc3nc(N[*:1])n4ncnc4c3c2C1
CC[C@H](CO)CNc1nc2sc3c(c2c2ncnn12)C[C@@H](C)CC3 CC[C@H](CO)CN[*:1] C[C@H]1CCc2sc3nc(n4ncnc4c3c2C1)[*:1]
CC[C@H](CO)CNc1nc2sc3c(c2c2ncnn12)C[C@@H](C)CC3 CC[C@H](CO)[*:1] C[C@H]1CCc2sc3nc(NC[*:1])n4ncnc4c3c2C1
COC(=O)c1occc1CSc1nnc2sc3ccccc3n12 COC(=O)[*:1] c1ccc2c(c1)sc1nnc(SCc3ccoc3[*:1])n12
CC(=O)NCC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)NCC(=O)N[C@@H](C(=O)Nc1ccc2OCOc2c1)[*:1]
CC(=O)NCC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 CC(=O)N[*:1] O=C(C[*:1])N[C@@H](C(=O)Nc1ccc2OCOc2c1)c1ccccc1
CC(=O)NCC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 CC(=O)NCC(=O)N[*:1] O=C(Nc1ccc2OCOc2c1)[C@@H](c1ccccc1)[*:1]
CC(=O)NCC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 c1cc2OCOc2cc1[*:1] CC(=O)NCC(=O)N[C@@H](C(=O)N[*:1])c1ccccc1
CC(=O)NCC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 CC(=O)NC[*:1] O=C(Nc1ccc2OCOc2c1)[C@H](NC(=O)[*:1])c1ccccc1
CCc1oc2ccccc2c1C[NH2+]Cc1ccc(C2OCCO2)cc1 C1COC(O1)[*:1] CCc1oc2ccccc2c1C[NH2+]Cc1ccc(cc1)[*:1]
Cc1ccc(SCc2[nH]nc3c2[C@H](c2cc4ccccc4nc2Cl)C(C#N)=C(N)O3)cc1 Cc1ccc(cc1)SC[*:1] N#CC1=C(N)Oc2n[nH]c(c2[C@@H]1c1cc2ccccc2nc1Cl)[*:1]
Cc1ccc(SCc2[nH]nc3c2[C@H](c2cc4ccccc4nc2Cl)C(C#N)=C(N)O3)cc1 Cc1ccc(cc1)S[*:1] N#CC1=C(N)Oc2n[nH]c(C[*:1])c2[C@@H]1c1cc2ccccc2nc1Cl
Cc1ccc(SCc2[nH]nc3c2[C@H](c2cc4ccccc4nc2Cl)C(C#N)=C(N)O3)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(N)Oc2n[nH]c(CS[*:1])c2[C@@H]1c1cc2ccccc2nc1Cl
CC1(C)CCC(NC(=O)NC[C@@](C)(O)c2cccs2)CC1 c1csc(c1)[*:1] CC1(C)CCC(CC1)NC(=O)NC[C@@](C)(O)[*:1]
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 O=C(C[*:1])N1CCCCCC1 C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[*:1]
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC[*:1]
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 O=C(CC[*:1])N1CCCCCC1 C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[*:1]
CCN(C(=O)C#Cc1ccccc1)[C@H](C)CS(=O)(=O)CC CCS(=O)(=O)[*:1] CCN(C(=O)C#Cc1ccccc1)[C@H](C)C[*:1]
CCN(C(=O)C#Cc1ccccc1)[C@H](C)CS(=O)(=O)CC c1ccc(cc1)[*:1] CCN(C(=O)C#C[*:1])[C@H](C)CS(=O)(=O)CC
CCN(C(=O)C#Cc1ccccc1)[C@H](C)CS(=O)(=O)CC CCS(=O)(=O)C[*:1] CCN(C(=O)C#Cc1ccccc1)[C@H](C)[*:1]
COC[C@H](NC(=O)N1CC=C(c2ccccc2Cl)CC1)C1CC1 Clc1ccccc1[*:1] COC[C@H](NC(=O)N1CC=C(CC1)[*:1])C1CC1
COC[C@H](NC(=O)N1CC=C(c2ccccc2Cl)CC1)C1CC1 COC[*:1] O=C(N[C@H](C1CC1)[*:1])N1CC=C(CC1)c1ccccc1Cl
COC[C@H](NC(=O)N1CC=C(c2ccccc2Cl)CC1)C1CC1 C1CC1[*:1] COC[C@H](NC(=O)N1CC=C(CC1)c1ccccc1Cl)[*:1]
O=C(COC(=O)c1cccc(Br)c1)Nc1ncc(Cl)cc1Cl Brc1cccc(c1)[*:1] O=C(COC(=O)[*:1])Nc1ncc(Cl)cc1Cl
N#Cc1ccc(OCCNC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])N1CC[NH+](CC1)C1CCCC1
Cc1ccc(C2=NN(C(=O)C(C)(C)C)[C@@H](c3ccc4nccnc4c3)C2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1N=C(C[C@@H]1c1ccc2nccnc2c1)[*:1]
Cc1ccc(C2=NN(C(=O)C(C)(C)C)[C@@H](c3ccc4nccnc4c3)C2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)C1C[C@H](c2ccc3nccnc3c2)N(N=1)C(=O)[*:1]
Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)s2)cs1 Cc1nc(cs1)[*:1] O=S(=O)(c1ccc(s1)[*:1])N1CCN(CC1)c1ccc(Cl)c(Cl)c1
Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)s2)cs1 Clc1ccc(cc1Cl)[*:1] Cc1nc(cs1)-c1ccc(s1)S(=O)(=O)N1CCN(CC1)[*:1]
NC(=O)Cc1ccccc1NC(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] NC(=O)Cc1ccccc1NC(=O)NCc1ccnc(c1)O[*:1]
NC(=O)Cc1ccccc1NC(=O)NCc1ccnc(OC2CCC2)c1 NC(=O)[*:1] O=C(NCc1ccnc(c1)OC1CCC1)Nc1ccccc1C[*:1]
NC(=O)Cc1ccccc1NC(=O)NCc1ccnc(OC2CCC2)c1 NC(=O)C[*:1] O=C(NCc1ccnc(c1)OC1CCC1)Nc1ccccc1[*:1]
NC(=O)Cc1ccccc1NC(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] NC(=O)Cc1ccccc1NC(=O)NCc1ccnc(c1)[*:1]
C[C@@H](CNC(=O)NNC(=O)[C@H]1CCCO1)c1ccc(F)cc1F C1CO[C@H](C1)[*:1] C[C@@H](CNC(=O)NNC(=O)[*:1])c1ccc(F)cc1F
CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 N#Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)Nc1ccc2NC(=O)CCc2c1
C=CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2cccc(F)c21 c1ccc(cc1)[*:1] C=CCn1/c(=N/C(=O)CCCS(=O)(=O)[*:1])sc2cccc(F)c21
C=CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2cccc(F)c21 C=CC[*:1] O=C(CCCS(=O)(=O)c1ccccc1)/N=c1\sc2cccc(F)c2n1[*:1]
C=CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2cccc(F)c21 O=S(=O)(c1ccccc1)[*:1] C=CCn1/c(=N/C(=O)CCC[*:1])sc2cccc(F)c21
CCOc1ccc(F)c(C(=O)NC[C@@](C)(O)c2cnn(C)c2)c1F Cn1cc(cn1)[*:1] CCOc1ccc(F)c(C(=O)NC[C@@](C)(O)[*:1])c1F
CCOc1ccc(F)c(C(=O)NC[C@@](C)(O)c2cnn(C)c2)c1F CCO[*:1] Cn1cc(cn1)[C@](C)(O)CNC(=O)c1c(F)ccc(c1F)[*:1]
Cc1nc(C)c(C[NH2+]Cc2nc(C(C)(C)C)cs2)s1 CC(C)(C)[*:1] Cc1nc(C)c(C[NH2+]Cc2nc(cs2)[*:1])s1
CC1(C)CC(=O)c2sc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)nc2C1 Clc1ccc(cc1)[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COC(=O)c1c(C(=O)OC)c2cc(-c3ccccc3Cl)ncn2c1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] COC(=O)c1c(C(=O)OC)c2cc(ncn2c1[*:1])-c1ccccc1Cl
COC(=O)c1c(C(=O)OC)c2cc(-c3ccccc3Cl)ncn2c1C(=O)c1ccccc1 Clc1ccccc1[*:1] COC(=O)c1c(C(=O)OC)c2cc(ncn2c1C(=O)c1ccccc1)[*:1]
COC(=O)c1c(C(=O)OC)c2cc(-c3ccccc3Cl)ncn2c1C(=O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1c(C(=O)OC)c2cc(ncn2c1C(=O)[*:1])-c1ccccc1Cl
COC(=O)c1c(C(=O)OC)c2cc(-c3ccccc3Cl)ncn2c1C(=O)c1ccccc1 COC(=O)[*:1] COC(=O)c1c(c2cc(ncn2c1C(=O)c1ccccc1)-c1ccccc1Cl)[*:1]
COC(=O)c1c(C(=O)OC)c2cc(-c3ccccc3Cl)ncn2c1C(=O)c1ccccc1 COC(=O)[*:1] COC(=O)c1c(c(C(=O)c2ccccc2)n2cnc(cc12)-c1ccccc1Cl)[*:1]
CCCc1cc(=O)n(CC(=O)Nc2cc(C)cc(C)c2)c(-n2nc(C)cc2C)n1 Cc1cc(C)n(n1)[*:1] CCCc1cc(=O)n(CC(=O)Nc2cc(C)cc(C)c2)c(n1)[*:1]
CCCc1cc(=O)n(CC(=O)Nc2cc(C)cc(C)c2)c(-n2nc(C)cc2C)n1 CCC[*:1] Cc1cc(C)cc(c1)NC(=O)Cn1c(nc(cc1=O)[*:1])-n1nc(C)cc1C
CCCc1cc(=O)n(CC(=O)Nc2cc(C)cc(C)c2)c(-n2nc(C)cc2C)n1 Cc1cc(C)cc(c1)[*:1] CCCc1cc(=O)n(CC(=O)N[*:1])c(n1)-n1nc(C)cc1C
CCc1cc2c(Nc3cnn(CC(=O)N(C)C)c3)ncnc2s1 CN(C)C(=O)C[*:1] CCc1cc2c(ncnc2s1)Nc1cnn(c1)[*:1]
CCc1cc2c(Nc3cnn(CC(=O)N(C)C)c3)ncnc2s1 CN(C)C(=O)[*:1] CCc1cc2c(ncnc2s1)Nc1cnn(c1)C[*:1]
CC[C@H](C)CN(C)c1ccc(C(F)(F)F)cc1C#N CC[C@H](C)C[*:1] CN(c1ccc(cc1C#N)C(F)(F)F)[*:1]
CC[C@H](C)CN(C)c1ccc(C(F)(F)F)cc1C#N FC(F)(F)[*:1] CC[C@H](C)CN(C)c1ccc(cc1C#N)[*:1]
CC[C@H](C)CN(C)c1ccc(C(F)(F)F)cc1C#N CC[C@H](C)[*:1] CN(C[*:1])c1ccc(cc1C#N)C(F)(F)F
CN(C)C(=O)c1cccc(NC(=O)c2occc2-c2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)c1occc1[*:1]
CN(C)C(=O)c1cccc(NC(=O)c2occc2-c2ccccc2)c1 CN(C)C(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1occc1-c1ccccc1
O=C(Nc1ccccn1)N[C@H](CO)c1ccc(Cl)cc1 c1ccc(nc1)[*:1] O=C(N[C@H](CO)c1ccc(Cl)cc1)N[*:1]
O=C(N[C@@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)c1n[nH]c(=O)c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1ccc2OCOc2c1)[C@H](NC(=O)[*:1])c1n[nH]c(=O)c2ccccc12
O=C(N[C@@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)c1n[nH]c(=O)c2ccccc12)c1ccccc1 c1cc2OCOc2cc1[*:1] O=C(N[C@@H](C(=O)NN=C[*:1])c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C(N[C@@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)c1n[nH]c(=O)c2ccccc12)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(N/N=C/c1ccc2OCOc2c1)[C@@H](c1n[nH]c(=O)c2ccccc12)[*:1]
O=C(N[C@@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)c1n[nH]c(=O)c2ccccc12)c1ccccc1 O=c1[nH]nc(c2ccccc12)[*:1] O=C(N[C@@H](C(=O)N/N=C/c1ccc2OCOc2c1)[*:1])c1ccccc1
O=C(NCCc1cccs1)Nc1cccc(-c2nnc3n2CCC3)c1 c1csc(c1)C[*:1] O=C(NC[*:1])Nc1cccc(c1)-c1nnc2CCCn21
O=C(NCCc1cccs1)Nc1cccc(-c2nnc3n2CCC3)c1 c1csc(c1)[*:1] O=C(NCC[*:1])Nc1cccc(c1)-c1nnc2CCCn21
O=C(NCCc1cccs1)Nc1cccc(-c2nnc3n2CCC3)c1 c1csc(c1)CC[*:1] O=C(Nc1cccc(c1)-c1nnc2CCCn21)N[*:1]
O=C(NCCc1cccs1)Nc1cccc(-c2nnc3n2CCC3)c1 C1Cc2nnc(n2C1)[*:1] O=C(NCCc1cccs1)Nc1cccc(c1)[*:1]
Cc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])o1)CC(C(=O)[O-])=N2 O=[N+]([O-])[*:1] Cc1nc2N=C(C[C@H](c3ccc(o3)[*:1])n2n1)C(=O)[O-]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CCC(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)CCC(=O)N[*:1]
N#C[C@H](c1ccc(O)cc1)c1ncc(C(F)(F)F)cc1Cl Oc1ccc(cc1)[*:1] N#C[C@H](c1ncc(cc1Cl)C(F)(F)F)[*:1]
N#C[C@H](c1ccc(O)cc1)c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] N#C[C@H](c1ccc(O)cc1)c1ncc(cc1Cl)[*:1]
CCC(C)(C)NC(=O)[C@@H](C)N1CCN(Cc2nccn2C(F)F)CC1 CCC(C)(C)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)Cc1nccn1C(F)F
CCC(C)(C)NC(=O)[C@@H](C)N1CCN(Cc2nccn2C(F)F)CC1 CCC(C)(C)NC(=O)[*:1] C[C@@H](N1CCN(CC1)Cc1nccn1C(F)F)[*:1]
CCC(C)(C)NC(=O)[C@@H](C)N1CCN(Cc2nccn2C(F)F)CC1 FC(F)n1ccnc1[*:1] CCC(C)(C)NC(=O)[C@@H](C)N1CCN(CC1)C[*:1]
CCC(C)(C)NC(=O)[C@@H](C)N1CCN(Cc2nccn2C(F)F)CC1 FC(F)[*:1] CCC(C)(C)NC(=O)[C@@H](C)N1CCN(CC1)Cc1nccn1[*:1]
CC1(C)CC(=O)C(/C=N/CCN2CCN(CC(=O)NC3Cc4ccccc4C3)CC2)=C([O-])C1 c1ccc2CC(Cc2c1)[*:1] CC1(C)CC(=O)C(/C=N/CCN2CCN(CC2)CC(=O)N[*:1])=C([O-])C1
C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cn1c(=O)oc2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)ccc21 Clc1cccc(c1)[*:1] Cn1c(=O)oc2cc(ccc21)NC(=O)[C@@H]1C[C@@H]1[*:1]
CCc1ccc(NC(=O)CNC(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] Cc1cccc(c1)[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)CNC(=O)N[*:1]
CCc1ccc(NC(=O)CNC(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)CNC(=O)Nc1cccc(C)c1
COCCN1C(=O)N=C(N)[C@]12CCC[C@H]2S(C)(=O)=O CS(=O)(=O)[*:1] COCCN1C(=O)N=C(N)[C@]12CCC[C@@H]2[*:1]
COCCN1C(=O)N=C(N)[C@]12CCC[C@H]2S(C)(=O)=O COCC[*:1] CS(=O)(=O)[C@@H]1CCC[C@]12C(N)=NC(=O)N2[*:1]
COCCN1C(=O)N=C(N)[C@]12CCC[C@H]2S(C)(=O)=O COC[*:1] CS(=O)(=O)[C@@H]1CCC[C@]12C(N)=NC(=O)N2C[*:1]
COc1nn(C)cc1C(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 COc1nn(C)cc1[*:1] O=C(N1CCN(CC1)C[C@@H](O)c1cccs1)[*:1]
COc1nn(C)cc1C(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 c1csc(c1)[*:1] COc1nn(C)cc1C(=O)N1CCN(CC1)C[C@@H](O)[*:1]
COc1nn(C)cc1C(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 O[C@H](C[*:1])c1cccs1 COc1nn(C)cc1C(=O)N1CCN(CC1)[*:1]
COc1nn(C)cc1C(=O)N1CCN(C[C@@H](O)c2cccs2)CC1 O[C@@H](c1cccs1)[*:1] COc1nn(C)cc1C(=O)N1CCN(CC1)C[*:1]
CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1ccco1 c1coc(c1)[*:1] CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@@H]1[*:1]
CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1ccco1 COC(=O)[*:1] CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C([C@H]1c1ccco1)[*:1]
CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1ccco1 CCOC(=O)[*:1] COC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C([C@@H]1c1ccco1)[*:1]
CN(Cc1ccccc1F)C(=O)COC(=O)c1c[nH]c2ccccc12 Fc1ccccc1C[*:1] CN(C(=O)COC(=O)c1c[nH]c2ccccc12)[*:1]
CN(Cc1ccccc1F)C(=O)COC(=O)c1c[nH]c2ccccc12 Fc1ccccc1[*:1] CN(C[*:1])C(=O)COC(=O)c1c[nH]c2ccccc12
CCNC(=O)N1CC[C@H]([NH2+][C@@H](COC)C(C)C)C1 CC(C)[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@@H](COC)[*:1]
CCNC(=O)N1CC[C@H]([NH2+][C@@H](COC)C(C)C)C1 COC[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C(C)C)[*:1]
O=C(Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1)C1CC1 O=C(N[*:1])C1CC1 O=C(Cc1csc(n1)[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=C(Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1)C1CC1 C1CC1[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=C(Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1)C1CC1 Clc1cccc(c1)[*:1] O=C(Nc1nc(cs1)CC(=O)N1CCN(CC1)[*:1])C1CC1
Cc1c(Cl)nnc2c(C#N)c(-c3ccccc3)nn12 c1ccc(cc1)[*:1] Cc1c(Cl)nnc2c(C#N)c(nn12)[*:1]
CNC(=O)NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 CNC(=O)NC(=O)[*:1] Cc1ccc(cc1C)Nc1nnc(SC[*:1])s1
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)c1ccc(F)cc1 CC(C)(C)[*:1] C[C@](O)(CNC(=O)[C@@H]1CSCN1C(=O)[*:1])c1ccc(F)cc1
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)[*:1]
CC(C)(C)Oc1ccccc1NCc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(C)Oc1ccccc1NCc1ccccc1[*:1]
CC(C)(C)Oc1ccccc1NCc1ccccc1N1CCOCC1 CC(C)(C)[*:1] c1ccc(c(c1)CNc1ccccc1O[*:1])N1CCOCC1
CC(C)(C)Oc1ccccc1NCc1ccccc1N1CCOCC1 CC(C)(C)O[*:1] c1ccc(c(c1)CNc1ccccc1[*:1])N1CCOCC1
CCc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O CCc1ccccc1[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N[*:1]
COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)[nH]1 COC(=O)[*:1] c1cc([nH]c1C[NH2+][C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)[*:1]
Cn1cc(C[C@H](C(=O)[O-])c2ccc(F)cc2)cn1 Cn1cc(cn1)[*:1] O=C([O-])[C@@H](C[*:1])c1ccc(F)cc1
Cn1cc(C[C@H](C(=O)[O-])c2ccc(F)cc2)cn1 O=C([O-])[*:1] Cn1cc(cn1)C[C@H](c1ccc(F)cc1)[*:1]
Cc1ccc(C(=O)NNC(=O)[C@H](C)n2c(=O)oc3ccccc32)c(O)c1 Cc1ccc(c(O)c1)[*:1] C[C@@H](C(=O)NNC(=O)[*:1])n1c(=O)oc2ccccc21
Cc1cccc(Cn2nc(C)cc2NC(=O)c2ccc(C#N)nc2)c1 Cc1cccc(c1)C[*:1] Cc1cc(NC(=O)c2ccc(C#N)nc2)n(n1)[*:1]
Cc1cccc(Cn2nc(C)cc2NC(=O)c2ccc(C#N)nc2)c1 Cc1cccc(c1)[*:1] Cc1cc(NC(=O)c2ccc(C#N)nc2)n(C[*:1])n1
Cc1cccc(Cn2nc(C)cc2NC(=O)c2ccc(C#N)nc2)c1 N#Cc1ccc(cn1)[*:1] Cc1cccc(c1)Cn1nc(C)cc1NC(=O)[*:1]
CC(C)N1C(=O)[C@@H]2C[C@]2(c2ccc(N)cc2)C1=O CC(C)[*:1] Nc1ccc(cc1)[C@]12C[C@H]1C(=O)N(C2=O)[*:1]
C[C@@H]1CN(C[C@@H]2CCCCO2)CCN1Cc1[nH+]ccn1C C1CC[C@@H](C[*:1])OC1 C[C@@H]1CN(CCN1Cc1[nH+]ccn1C)[*:1]
C[C@@H]1CN(C[C@@H]2CCCCO2)CCN1Cc1[nH+]ccn1C C1CC[C@H](OC1)[*:1] C[C@@H]1CN(CCN1Cc1[nH+]ccn1C)C[*:1]
C=CCc1ccccc1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 C=CC[*:1] O=C(COc1ccccc1[*:1])Nc1nc2ccc(cc2s1)[N+](=O)[O-]
C=CCc1ccccc1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 O=[N+]([O-])[*:1] C=CCc1ccccc1OCC(=O)Nc1nc2ccc(cc2s1)[*:1]
O=C(C1CC1)N1CCC[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C1 FC(F)(F)[*:1] O=C(C1CC1)N1CCC[C@@H](C1)C(=O)N1CCC[C@H](C1)[*:1]
O=C(C1CC1)N1CCC[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C1 C1CC1[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N1CCC[C@@H](C1)C(F)(F)F
COC(=O)c1cccc(N2CCC[C@H](c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] COC(=O)c1cccc(n1)N1CCC[C@H](CC1)[*:1]
COC(=O)c1cccc(N2CCC[C@H](c3ccccc3)CC2)n1 COC(=O)[*:1] c1ccc(cc1)[C@H]1CCCN(CC1)c1cccc(n1)[*:1]
C=CCCO[C@@H](C)C(=O)Nc1cnn(C(C)(C)C)c1 C=CC[*:1] C[C@H](OC[*:1])C(=O)Nc1cnn(c1)C(C)(C)C
C=CCCO[C@@H](C)C(=O)Nc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] C=CCCO[C@@H](C)C(=O)Nc1cnn(c1)[*:1]
C=CCCO[C@@H](C)C(=O)Nc1cnn(C(C)(C)C)c1 C=CCCO[*:1] C[C@@H](C(=O)Nc1cnn(c1)C(C)(C)C)[*:1]
C=CCCO[C@@H](C)C(=O)Nc1cnn(C(C)(C)C)c1 C=CCC[*:1] C[C@H](O[*:1])C(=O)Nc1cnn(c1)C(C)(C)C
CCNC(=O)N(Cc1ccccc1OCC)C[C@H]1CCCO1 CCO[*:1] CCNC(=O)N(Cc1ccccc1[*:1])C[C@H]1CCCO1
CCNC(=O)N(Cc1ccccc1OCC)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CCNC(=O)N(Cc1ccccc1OCC)[*:1]
CCNC(=O)N(Cc1ccccc1OCC)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCNC(=O)N(Cc1ccccc1OCC)C[*:1]
CC(C)n1ccc(COc2ccc(N(C)C(=O)C(C)(C)C)cc2)n1 CC(C)[*:1] CN(C(=O)C(C)(C)C)c1ccc(cc1)OCc1ccn(n1)[*:1]
CC(C)n1ccc(COc2ccc(N(C)C(=O)C(C)(C)C)cc2)n1 CC(C)n1ccc(n1)[*:1] CN(C(=O)C(C)(C)C)c1ccc(cc1)OC[*:1]
CC(C)n1ccc(COc2ccc(N(C)C(=O)C(C)(C)C)cc2)n1 CC(C)(C)[*:1] CC(C)n1ccc(COc2ccc(cc2)N(C)C(=O)[*:1])n1
CC(C)n1ccc(COc2ccc(N(C)C(=O)C(C)(C)C)cc2)n1 CN(C(=O)C(C)(C)C)[*:1] CC(C)n1ccc(COc2ccc(cc2)[*:1])n1
C[C@H](CCCO)Nc1ccnc(Cl)n1 OCCC[*:1] C[C@H](Nc1ccnc(Cl)n1)[*:1]
C[C@H](CCCO)Nc1ccnc(Cl)n1 OCC[*:1] C[C@H](C[*:1])Nc1ccnc(Cl)n1
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCC(C)C)c1ccc(Cl)cc12 CC(C)[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CC[*:1])c1ccc(Cl)cc12
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCC(C)C)c1ccc(Cl)cc12 CC(C)CC[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(c1ccc(Cl)cc12)[*:1]
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCC(C)C)c1ccc(Cl)cc12 CC(C)C[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C[*:1])c1ccc(Cl)cc12
CC(C)[C@H](C)S(=O)(=O)Cc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CC(C)[C@H](C)S(=O)(=O)Cc1ccc(cc1)[*:1]
CC(C)[C@H](C)S(=O)(=O)Cc1ccc(-n2cccn2)cc1 CC(C)[*:1] C[C@H](S(=O)(=O)Cc1ccc(cc1)-n1cccn1)[*:1]
C[C@H](Cc1nc2ccccc2s1)N1CCN(C(=O)C(=O)NC2CC2)CC1 C1CC1[*:1] C[C@H](Cc1nc2ccccc2s1)N1CCN(CC1)C(=O)C(=O)N[*:1]
CC[NH2+][C@H](c1ccc(Br)o1)c1ccc(C)cc1F Brc1ccc(o1)[*:1] CC[NH2+][C@H](c1ccc(C)cc1F)[*:1]
CC[C@](C)([NH2+]Cc1nnc(-c2cccc(F)c2)o1)C(N)=O NC(=O)[*:1] CC[C@](C)([NH2+]Cc1nnc(o1)-c1cccc(F)c1)[*:1]
CC[C@](C)([NH2+]Cc1nnc(-c2cccc(F)c2)o1)C(N)=O Fc1cccc(c1)[*:1] CC[C@](C)([NH2+]Cc1nnc(o1)[*:1])C(N)=O
O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 C(=C[*:1])c1ccco1 O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)[*:1]
O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 c1coc(c1)[*:1] O=C(C=C[*:1])NC(=S)Nc1ccccc1-c1nc2ccccc2s1
O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1[*:1]
CCCCN(C)C(=O)N[C@H](C)c1ccc(CC)cc1 CCCC[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)N(C)[*:1]
CCCCN(C)C(=O)N[C@H](C)c1ccc(CC)cc1 CCC[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)N(C)C[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])N1CCO[C@@H](C1)c1ccccc1
O=C(Nc1cnc(-c2ccccc2)s1)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)N1CCO[C@H](C1)[*:1]
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)N[*:1]
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NC[C@@H]1CCCO1 O=C(NC[C@@H]1CCCO1)[*:1] CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[*:1]
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NC[C@@H]1CCCO1 O=C(C[*:1])NC[C@@H]1CCCO1 CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NC[*:1]
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NC[C@@H]1CCCO1 CC(C)(C)[*:1] O=C(CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)O[*:1])NC[C@@H]1CCCO1
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cnn(C)c1-n1cccc1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1C(=O)c1cnn(C)c1-n1cccc1)[*:1]
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cnn(C)c1-n1cccc1 c1ccn(c1)[*:1] C[C@@H]1C[C@H](CN1C(=O)c1cnn(C)c1[*:1])c1ccc(F)cc1
Cc1noc([C@H](C)OC(=O)/C=C/c2csc(C)n2)n1 Cc1nc(cs1)[*:1] Cc1noc(n1)[C@H](C)OC(=O)C=C[*:1]
Cc1noc([C@H](C)OC(=O)/C=C/c2csc(C)n2)n1 Cc1noc(n1)[*:1] Cc1nc(/C=C/C(=O)O[C@@H](C)[*:1])cs1
CC(C)COC(=O)/N=C1\NC(=S)N(C)C12CCCCC2 CC(C)[*:1] CN1C(=S)N/C(=N\C(=O)OC[*:1])C12CCCCC2
CC(C)COC(=O)/N=C1\NC(=S)N(C)C12CCCCC2 CC(C)C[*:1] CN1C(=S)N/C(=N\C(=O)O[*:1])C12CCCCC2
C[C@@H](OC(=O)CC[C@@H]1CCCO1)c1ccc(Cl)cc1 C1CO[C@@H](C1)[*:1] C[C@@H](OC(=O)CC[*:1])c1ccc(Cl)cc1
C[C@@H](OC(=O)CC[C@@H]1CCCO1)c1ccc(Cl)cc1 C1CO[C@@H](C1)C[*:1] C[C@@H](OC(=O)C[*:1])c1ccc(Cl)cc1
O=C(N1CC[C@H](Nc2ccccc2)C1)C1(c2ccc(F)cc2)CCOCC1 c1ccc(cc1)N[*:1] O=C(N1CC[C@H](C1)[*:1])C1(CCOCC1)c1ccc(F)cc1
O=C(N1CC[C@H](Nc2ccccc2)C1)C1(c2ccc(F)cc2)CCOCC1 c1ccc(cc1)[*:1] O=C(N1CC[C@@H](C1)N[*:1])C1(CCOCC1)c1ccc(F)cc1
O=C(N1CC[C@H](Nc2ccccc2)C1)C1(c2ccc(F)cc2)CCOCC1 Fc1ccc(cc1)[*:1] O=C(N1CC[C@@H](C1)Nc1ccccc1)C1(CCOCC1)[*:1]
Cc1ccc(C(=O)N2CCC(NC(=O)N[C@H](C)[C@@H]3CCCO3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)NC1CCN(CC1)C(=O)[*:1])[C@@H]1CCCO1
O=C(COC(=O)c1ccc(-n2cnnn2)cc1)Nc1cc(Cl)ccc1F Fc1ccc(Cl)cc1[*:1] O=C(COC(=O)c1ccc(cc1)-n1cnnn1)N[*:1]
O=C(COC(=O)c1ccc(-n2cnnn2)cc1)Nc1cc(Cl)ccc1F c1nnnn1[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])Nc1cc(Cl)ccc1F
CN(C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] C[NH+]1CCN(CC1)c1ncc(cn1)C[NH+]1CCC(CC1)[*:1]
Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@H](c3nc(C)no3)C2)c1 Cc1ccc(F)c(c1)[*:1] Cc1noc(n1)[C@H]1CCCN(C1)C(=O)C(=O)N[*:1]
Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@H](c3nc(C)no3)C2)c1 Cc1noc(n1)[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCBr)c1 O=[N+]([O-])[*:1] O=S(=O)(NCCCBr)c1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCBr)c1 BrCCC[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCBr)c1 BrCC[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)NC[*:1]
CCCNc1ncc(F)c(-c2ccc(OC)cc2)n1 CCC[*:1] COc1ccc(cc1)-c1nc(ncc1F)N[*:1]
CCCNc1ncc(F)c(-c2ccc(OC)cc2)n1 CCCN[*:1] COc1ccc(cc1)-c1nc(ncc1F)[*:1]
O=S(=O)(c1ccc(F)cc1F)N1CCN(c2nc3cccnc3s2)CC1 Fc1ccc(c(F)c1)[*:1] O=S(=O)(N1CCN(CC1)c1nc2cccnc2s1)[*:1]
CCCc1cc([C@@H]2CCCN2C(=O)c2c(Cl)cnn2CC)no1 CCC[*:1] CCn1ncc(Cl)c1C(=O)N1CCC[C@H]1c1cc(on1)[*:1]
Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)C2=CC3=C4CCCCC4=N[C@@H]3C=C2)c1 Cc1cc(C)cc(c1)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)C1C=C[C@H]2N=C3CCCCC3=C2C=1
N#CNC(=O)CCOc1cccc(F)c1 N#CNC(=O)[*:1] Fc1cccc(c1)OCC[*:1]
CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1
CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 c1ccc(cc1)C[*:1] CN(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)[*:1]
CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1[*:1]
CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 c1csc(c1)[*:1] CN(Cc1ccccc1)C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=Nc2nnnn21 Cc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1CC(=Nc2nnnn21)[*:1]
COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=Nc2nnnn21 COc1ccccc1[*:1] Cc1ccc(cc1)C1C[C@H](n2nnnc2N=1)[*:1]
Cc1nc([C@H]2CCN(C(=O)c3cccnc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)N[*:1])[C@H]1CCN(C1)C(=O)c1cccnc1
Cc1nc([C@H]2CCN(C(=O)c3cccnc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 c1cncc(c1)[*:1] Cc1nc(ncc1C(=O)Nc1ccc(Cl)cc1)[C@H]1CCN(C1)C(=O)[*:1]
Cc1nc([C@H]2CCN(C(=O)c3cccnc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] Cc1nc(ncc1[*:1])[C@H]1CCN(C1)C(=O)c1cccnc1
NC(=O)[C@H]1C2=C(CCC2)S[C@@H]1NC(=O)COC(=O)CC1=c2ccccc2=[NH+]C1 NC(=O)[*:1] O=C(COC(=O)CC1C[NH+]=c2ccccc2=1)N[C@H]1SC2CCCC=2[C@@H]1[*:1]
CCCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 CCCOc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
CCCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 CCC[*:1] O=C(Nc1ccccc1O[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
CCCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 CCCO[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
CCCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc2cc(ccc2c1)[*:1] CCCOc1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1sc2nc3c(C(=O)NCCNc4ccc5ccccc5c4)cccn3c(=O)c2c1C c1ccc2cc(ccc2c1)[*:1] Cc1sc2nc3c(cccn3c(=O)c2c1C)C(=O)NCCN[*:1]
COCC[NH+](C)Cc1ccnc(N)c1 COCC[*:1] C[NH+](Cc1ccnc(N)c1)[*:1]
COCC[NH+](C)Cc1ccnc(N)c1 COC[*:1] C[NH+](Cc1ccnc(N)c1)C[*:1]
Oc1ccccc1C1=NO[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] Oc1ccccc1C1C[C@@](O)(ON=1)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N(Cc2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N(Cc2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)c1 c1ccc2c(cccc2c1)[*:1] Cc1ccc(c(c1)OCC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1)C(C)C
Cc1ccc(C(C)C)c(OCC(=O)N(Cc2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)c1 c1ccc2c(cccc2c1)C[*:1] Cc1ccc(c(c1)OCC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1])C(C)C
Cc1ccc(C(C)C)c(OCC(=O)N(Cc2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)c1 Cc1ccc(c(c1)[*:1])C(C)C O=C(CO[*:1])N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(C(C)C)c(OCC(=O)N(Cc2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)c1 Cc1ccc(c(c1)O[*:1])C(C)C O=C(C[*:1])N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1
CSCc1ccc(N[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 O=[N+]([O-])[*:1] CSCc1ccc(cc1)N[C@H]1CC(=O)N(C1=O)c1cccc(c1)[*:1]
CSCc1ccc(N[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 CSC[*:1] O=C1C[C@H](Nc2ccc(cc2)[*:1])C(=O)N1c1cccc(c1)[N+](=O)[O-]
O=S(=O)(/N=C(\[O-])CCc1ncc(-c2ccccc2)o1)C1CCCC1 c1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])CCc1ncc(o1)[*:1])C1CCCC1
O=S(=O)(/N=C(\[O-])CCc1ncc(-c2ccccc2)o1)C1CCCC1 C1CCC(C1)[*:1] O=S(=O)(/N=C(\[O-])CCc1ncc(o1)-c1ccccc1)[*:1]
C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)[C@@H]1C c1cc2OCOc2cc1[*:1] C[C@@H]1CCC[C@@H]([C@@H]1C)N(C[*:1])C(=O)Nc1cc2OCC(=O)Nc2cc1Cl
C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)[C@@H]1C c1cc2OCOc2cc1C[*:1] C[C@@H]1CCC[C@@H]([C@@H]1C)N(C(=O)Nc1cc2OCC(=O)Nc2cc1Cl)[*:1]
CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCc2cccs2)cn3C2CC2)CC1 c1csc(c1)C[*:1] CC[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)N[*:1]
CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCc2cccs2)cn3C2CC2)CC1 C1CC1[*:1] CC[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2[*:1])C(=O)NCc1cccs1
CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCc2cccs2)cn3C2CC2)CC1 c1csc(c1)[*:1] CC[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)NC[*:1]
CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCc2cccs2)cn3C2CC2)CC1 O=C(NCc1cccs1)[*:1] CC[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)[*:1]
COc1ccc(NC2=[NH+][C@@H](c3cccnc3)n3c(nc(C)cc3=O)N2)cc1 COc1ccc(cc1)[*:1] Cc1cc(=O)n2c(n1)NC(N[*:1])=[NH+][C@H]2c1cccnc1
COc1ccc(NC2=[NH+][C@@H](c3cccnc3)n3c(nc(C)cc3=O)N2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)NC1Nc2nc(C)cc(=O)n2[C@H]([NH+]=1)[*:1]
O=C(Nc1cccc2ncccc12)c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 c1coc(c1)[*:1] O=C(Nc1cccc2ncccc12)c1cc(n(n1)[C@H]1CCS(=O)(=O)C1)[*:1]
O=C(Nc1cccc2ncccc12)c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 c1cc(c2cccnc2c1)[*:1] O=C(N[*:1])c1cc(-c2ccco2)n(n1)[C@H]1CCS(=O)(=O)C1
CC(C)Cn1cc(C(=O)NCc2cccc(F)c2)c(=O)c(C(=O)NC(C)C)c1 Fc1cccc(c1)[*:1] CC(C)Cn1cc(C(=O)NC[*:1])c(=O)c(c1)C(=O)NC(C)C
CC(C)Cn1cc(C(=O)NCc2cccc(F)c2)c(=O)c(C(=O)NC(C)C)c1 CC(C)NC(=O)[*:1] CC(C)Cn1cc(C(=O)NCc2cccc(F)c2)c(=O)c(c1)[*:1]
CC(C)Cn1cc(C(=O)NCc2cccc(F)c2)c(=O)c(C(=O)NC(C)C)c1 CC(C)C[*:1] CC(C)NC(=O)c1cn(cc(C(=O)NCc2cccc(F)c2)c1=O)[*:1]
CC(C)Cn1cc(C(=O)NCc2cccc(F)c2)c(=O)c(C(=O)NC(C)C)c1 Fc1cccc(c1)C[*:1] CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(c1)C(=O)N[*:1]
CC(C)Cn1cc(C(=O)NCc2cccc(F)c2)c(=O)c(C(=O)NC(C)C)c1 CC(C)[*:1] CC(C)NC(=O)c1cn(cc(C(=O)NCc2cccc(F)c2)c1=O)C[*:1]
CC(C)Cn1cc(C(=O)NCc2cccc(F)c2)c(=O)c(C(=O)NC(C)C)c1 CC(C)[*:1] CC(C)Cn1cc(C(=O)NCc2cccc(F)c2)c(=O)c(c1)C(=O)N[*:1]
CCONC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 CCONC(=O)[*:1] C[C@@H](SCC(=O)Nc1ccc(F)cc1)[*:1]
CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1 CCOC(=O)[*:1] CCc1cc(c(NC(=O)c2cccc(c2)N2C(=O)CCC2=O)s1)[*:1]
CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1 O=C1CCC(=O)N1[*:1] CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(c1)[*:1]
Cc1nc(C[C@H](C(=O)[O-])c2ccccc2Br)cs1 O=C([O-])[*:1] Cc1nc(cs1)C[C@H](c1ccccc1Br)[*:1]
Cc1nc(C[C@H](C(=O)[O-])c2ccccc2Br)cs1 Cc1nc(cs1)[*:1] O=C([O-])[C@@H](C[*:1])c1ccccc1Br
O=C(NCC1CCC1)C(=O)Nc1cccc(OC(F)(F)F)c1 C1CC(C1)C[*:1] O=C(Nc1cccc(c1)OC(F)(F)F)C(=O)N[*:1]
O=C(NCC1CCC1)C(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] O=C(NCC1CCC1)C(=O)Nc1cccc(c1)[*:1]
O=C(NCC1CCC1)C(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCC1CCC1)C(=O)Nc1cccc(c1)O[*:1]
O=C(NCC1CCC1)C(=O)Nc1cccc(OC(F)(F)F)c1 C1CC(C1)[*:1] O=C(NC[*:1])C(=O)Nc1cccc(c1)OC(F)(F)F
Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 Cc1ccc(cc1)[*:1] Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1[*:1]
Cc1cc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)ccc1Br Fc1ccc(cc1Cl)[*:1] Cc1cc(ccc1Br)NC(=O)CN(S(C)(=O)=O)[*:1]
Cc1cc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)ccc1Br Cc1cc(ccc1Br)[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccc(F)c(Cl)c1
COCCN1C[NH+]=C(c2ccccc2)N(c2cc(C)cc(C)c2)C1 COCC[*:1] Cc1cc(C)cc(c1)N1CN(C[NH+]=C1c1ccccc1)[*:1]
COCCN1C[NH+]=C(c2ccccc2)N(c2cc(C)cc(C)c2)C1 Cc1cc(C)cc(c1)[*:1] COCCN1C[NH+]=C(c2ccccc2)N(C1)[*:1]
COCCN1C[NH+]=C(c2ccccc2)N(c2cc(C)cc(C)c2)C1 COC[*:1] Cc1cc(C)cc(c1)N1CN(C[NH+]=C1c1ccccc1)C[*:1]
COCCN1C[NH+]=C(c2ccccc2)N(c2cc(C)cc(C)c2)C1 c1ccc(cc1)[*:1] COCCN1C[NH+]=C(N(C1)c1cc(C)cc(C)c1)[*:1]
Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1[N-]S(C)(=O)=O Clc1ccccc1[*:1] Cc1ccc(cc1[N-]S(C)(=O)=O)NC(=O)[C@H]1C[C@@H]1[*:1]
CC(C)c1cccc(O[C@@H]2CCCC(C)(C)[C@@H]2[NH3+])c1 CC(C)[*:1] CC1(C)CCC[C@@H](Oc2cccc(c2)[*:1])[C@H]1[NH3+]
CC(=O)c1ccc(F)cc1OS(=O)(=O)c1cn(C)c(C)n1 Cc1nc(cn1C)[*:1] CC(=O)c1ccc(F)cc1OS(=O)(=O)[*:1]
CC(=O)c1ccc(F)cc1OS(=O)(=O)c1cn(C)c(C)n1 CC(=O)[*:1] Cc1nc(cn1C)S(=O)(=O)Oc1cc(F)ccc1[*:1]
CCOc1cc(/C=N/NC(=O)OC)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] CCOc1cc(/C=N/NC(=O)OC)cc(c1[O-])[*:1]
CCOc1cc(/C=N/NC(=O)OC)cc([N+](=O)[O-])c1[O-] CCO[*:1] COC(=O)N/N=C/c1cc(c([O-])c(c1)[*:1])[N+](=O)[O-]
C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccccn1 CN(C)[*:1] C/C(=N\NC(=O)c1ccc(cc1)[*:1])c1ccccn1
C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccccn1 c1ccc(nc1)[*:1] CC(=NNC(=O)c1ccc(cc1)N(C)C)[*:1]
CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccoc1 c1cc(co1)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)C1CCOCC1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)C1CCOCC1
C[C@H](Cc1cccs1)N(C)C(=O)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H](Cc1cccs1)N(C)C(=O)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)C1CCOCC1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)C1CCOCC1)[*:1]
Cc1ccc(SCCC(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)cc1 Cc1ccc(cc1)[*:1] O=C(CCS[*:1])N(Cc1ccco1)c1nc2c(F)cccc2s1
Cc1ccc(SCCC(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)SCCC(=O)N(C[*:1])c1nc2c(F)cccc2s1
Cc1ccc(SCCC(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)SCCC(=O)N(c1nc2c(F)cccc2s1)[*:1]
Cc1ccc(SCCC(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)cc1 Cc1ccc(cc1)SC[*:1] O=C(C[*:1])N(Cc1ccco1)c1nc2c(F)cccc2s1
Cc1ccc(SCCC(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)cc1 Cc1ccc(cc1)S[*:1] O=C(CC[*:1])N(Cc1ccco1)c1nc2c(F)cccc2s1
Cc1ccc(CCNC(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)CCNC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(CCNC(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)c1ccncc1
Cc1ccc(CCNC(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC[*:1])N1CCN(CC1)C(=O)c1ccncc1
CCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 CCc1ccc(cc1)[*:1] O=C1CCc2cc(ccc2N1)-c1csc(n1)NC(=O)[*:1]
COC(=O)c1ccc(C)c(NC(=O)CC2CCCCC2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)CC1CCCCC1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)CC2CCCCC2)c1 C1CCC(CC1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)C[*:1]
COC(=O)c1ccc(C)c(NC(=O)CC2CCCCC2)c1 C1CCC(CC1)C[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)[*:1]
COc1cc(CNC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)ccn1 COc1cc(ccn1)C[*:1] C[C@@H]1CN(Cc2ccc(cc2)C(=O)N[*:1])C[C@@H](C)O1
COc1cc(CNC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)ccn1 COc1cc(ccn1)[*:1] C[C@@H]1CN(Cc2ccc(cc2)C(=O)NC[*:1])C[C@@H](C)O1
CCC[NH2+][C@@H]([C@@H]1CN(C)CCO1)[C@@H]1CCc2cccnc21 CN1CCO[C@@H](C1)[*:1] CCC[NH2+][C@@H]([C@@H]1CCc2cccnc21)[*:1]
CCC[NH2+][C@@H]([C@@H]1CN(C)CCO1)[C@@H]1CCc2cccnc21 CCC[*:1] CN1CCO[C@@H](C1)[C@H]([NH2+][*:1])[C@@H]1CCc2cccnc21
Cn1cnc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nn(-c3ccc(Cl)cc3)c2c1=O Clc1ccc(cc1)[*:1] Cn1cnc2c(nn(c2c1=O)[*:1])C(=O)N1CC[NH+](CC1)C1CCCCC1
COc1ccc(C(=O)N/N=C(/C)CC(N)=O)cc1I NC(=O)C[*:1] COc1ccc(cc1I)C(=O)NN=C(C)[*:1]
COc1ccc(C(=O)N/N=C(/C)CC(N)=O)cc1I NC(=O)[*:1] COc1ccc(cc1I)C(=O)N/N=C(/C)C[*:1]
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 Brc1ccc(cc1)[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])NC[C@H]1CCCO1
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(CN(c1ccc(Br)cc1)S(=O)(=O)[*:1])NC[C@H]1CCCO1
C[C@H](NC(=O)Cn1cnnn1)c1noc(Cc2ccccc2)n1 c1nnnn1C[*:1] C[C@H](NC(=O)[*:1])c1noc(Cc2ccccc2)n1
C[C@H](NC(=O)Cn1cnnn1)c1noc(Cc2ccccc2)n1 c1nnnn1[*:1] C[C@H](NC(=O)C[*:1])c1noc(Cc2ccccc2)n1
C[C@H](NC(=O)Cn1cnnn1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cn1cnnn1)c1noc(C[*:1])n1
C[C@H](NC(=O)Cn1cnnn1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)Cn1cnnn1)c1noc(n1)[*:1]
O=C(Nc1ccccc1OC(F)F)N1CCN(C(=O)C2CCCC2)CC1 FC(F)O[*:1] O=C(Nc1ccccc1[*:1])N1CCN(CC1)C(=O)C1CCCC1
O=C(Nc1ccccc1OC(F)F)N1CCN(C(=O)C2CCCC2)CC1 FC(F)[*:1] O=C(Nc1ccccc1O[*:1])N1CCN(CC1)C(=O)C1CCCC1
O=C(Nc1ccccc1OC(F)F)N1CCN(C(=O)C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(Nc1ccccc1OC(F)F)N1CCN(CC1)C(=O)[*:1]
C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O O=[N+]([O-])[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)Cc1ccc(cc1Cl)[*:1]
C[C@H]1CC(C(=O)NCc2ncnn2C)C[C@H](C)O1 Cn1ncnc1[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NC[*:1]
COc1ccc(CCCN(C)C(=O)NCc2ccncc2)cc1 c1cc(ccn1)C[*:1] COc1ccc(cc1)CCCN(C)C(=O)N[*:1]
COc1ccc(CCCN(C)C(=O)NCc2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)CCCN(C)C(=O)NC[*:1]
C[C@@H](NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC[C@H](c1ccco1)[NH+]1CCCC1)[*:1]
C[C@@H](NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)s1 c1coc(c1)[*:1] C[C@@H](NC[C@H]([NH+]1CCCC1)[*:1])c1ccc(Cl)s1
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)CC1=O CC[C@H](C)[*:1] O=C([C@H]1CC(=O)N(C1)c1ccccc1[*:1])N1CCN(CC1)c1ncccn1
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)CC1=O CC[C@H](C)c1ccccc1[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1ncccn1
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)CC1=O c1cnc(nc1)[*:1] CC[C@H](C)c1ccccc1N1C[C@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
CCOc1cc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1C C[S@@](=O)[*:1] CCOc1cc(ccc1C)C(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
CCOc1cc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1C CCO[*:1] Cc1ccc(cc1[*:1])C(=O)N(C)[C@@H](C)c1ccc(cc1)[S@@](C)=O
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N(C)Cc2nccs2)cc1 Cc1ccc(cc1)C[*:1] CN(Cc1nccs1)C(=O)[C@@H]1CCC(=O)N1[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N(C)Cc2nccs2)cc1 c1csc(n1)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)N(C)C[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N(C)Cc2nccs2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1nccs1)C(=O)[C@@H]1CCC(=O)N1C[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N(C)Cc2nccs2)cc1 c1csc(C[*:1])n1 Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)N(C)[*:1]
O=C(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(c1cc(Cl)ccc1Cl)N1CCC[C@H]1[*:1]
O=C(NCc1nncn1C1CC1)Nc1cccc(Cl)c1F C1CC1[*:1] O=C(NCc1nncn1[*:1])Nc1cccc(Cl)c1F
CCCn1c(C)nnc1CSCc1csc(-c2ccoc2)n1 CCC[*:1] Cc1nnc(CSCc2csc(n2)-c2ccoc2)n1[*:1]
CCCn1c(C)nnc1CSCc1csc(-c2ccoc2)n1 c1cc(co1)[*:1] CCCn1c(C)nnc1CSCc1csc(n1)[*:1]
CCOc1ccc(Nc2ccc3nnc(C(F)F)n3n2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])Nc1ccc2nnc(C(F)F)n2n1
CCOc1ccc(Nc2ccc3nnc(C(F)F)n3n2)cc1C FC(F)[*:1] CCOc1ccc(cc1C)Nc1ccc2nnc(n2n1)[*:1]
C[C@H]1CN(C(=O)C(=O)Nc2ccccc2)CCO1 c1ccc(cc1)[*:1] C[C@H]1CN(CCO1)C(=O)C(=O)N[*:1]
O=C(NCC1([O-])CCC1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F FC(F)(F)[*:1] O=C(NCC1([O-])CCC1)[C@H]1C[C@@H]1c1ccccc1O[*:1]
O=C(NCC1([O-])CCC1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] O=C(NCC1([O-])CCC1)[C@H]1C[C@@H]1c1ccccc1[*:1]
Oc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 c1ccc(cc1)[*:1] Oc1ncnc2oc(-c3ccccc3)c(c12)[*:1]
Oc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 c1ccc(cc1)[*:1] Oc1ncnc2oc(c(-c3ccccc3)c12)[*:1]
C[C@]1(c2ccccc2)C[C@](O)(C(F)(F)F)N(C(N)=O)N1 FC(F)(F)[*:1] C[C@@]1(C[C@](O)(N(N1)C(N)=O)[*:1])c1ccccc1
C[C@]1(c2ccccc2)C[C@](O)(C(F)(F)F)N(C(N)=O)N1 c1ccc(cc1)[*:1] C[C@@]1(C[C@@](O)(N(N1)C(N)=O)C(F)(F)F)[*:1]
CCOC(=O)Nc1cccc(/N=C/c2cc(OCC)ccc2O)c1C CCO[*:1] CCOC(=O)Nc1cccc(/N=C/c2cc(ccc2O)[*:1])c1C
CCOC(=O)Nc1cccc(/N=C/c2cc(OCC)ccc2O)c1C CCOC(=O)N[*:1] CCOc1ccc(O)c(/C=N/c2cccc(c2C)[*:1])c1
C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1NC(=O)[*:1])c1ccccc1
C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1ccc(F)cc1
C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1)[*:1]
Cc1noc(C)c1CN1CCN(C(=O)[C@@H](C)CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1noc(C)c1CN1CCN(CC1)C(=O)[C@@H](C)CCO[*:1]
Cc1noc(C)c1CN1CCN(C(=O)[C@@H](C)CCOc2ccccc2)CC1 c1ccc(cc1)OCC[*:1] Cc1noc(C)c1CN1CCN(CC1)C(=O)[C@@H](C)[*:1]
Cc1noc(C)c1CN1CCN(C(=O)[C@@H](C)CCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] Cc1noc(C)c1CN1CCN(CC1)C(=O)[C@@H](C)CC[*:1]
Cc1noc(C)c1CN1CCN(C(=O)[C@@H](C)CCOc2ccccc2)CC1 Cc1noc(C)c1[*:1] C[C@@H](CCOc1ccccc1)C(=O)N1CCN(CC1)C[*:1]
Cc1noc(C)c1CN1CCN(C(=O)[C@@H](C)CCOc2ccccc2)CC1 c1ccc(cc1)OC[*:1] Cc1noc(C)c1CN1CCN(CC1)C(=O)[C@@H](C)C[*:1]
Cc1noc(C)c1CN1CCN(C(=O)[C@@H](C)CCOc2ccccc2)CC1 Cc1noc(C)c1C[*:1] C[C@@H](CCOc1ccccc1)C(=O)N1CCN(CC1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NC(C)(C)CC(C)(C)C CC(C)(C)C[*:1] Cc1onc(-c2ccccc2)c1C(=O)NC(C)(C)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NC(C)(C)CC(C)(C)C c1ccc(cc1)[*:1] Cc1onc(c1C(=O)NC(C)(C)CC(C)(C)C)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NC(C)(C)CC(C)(C)C CC(C)(C)[*:1] Cc1onc(-c2ccccc2)c1C(=O)NC(C)(C)C[*:1]
NC(=O)c1cc2cc(Cl)ccc2oc1=[NH2+] NC(=O)[*:1] [NH2+]=c1oc2ccc(Cl)cc2cc1[*:1]
CCOc1ccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1c(C)nn(CC)c1C COc1ccc(cc1)[*:1] C=CCN(C[*:1])C(=O)Nc1c(C)nn(CC)c1C
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1c(C)nn(CC)c1C C=CC[*:1] CCn1nc(C)c(NC(=O)N(Cc2ccc(cc2)OC)[*:1])c1C
Cc1nnc(Sc2nc(C3CC3)n(-c3ccccc3)n2)c2ccccc12 c1ccc(cc1)[*:1] Cc1nnc(Sc2nc(C3CC3)n(n2)[*:1])c2ccccc12
Cc1nnc(Sc2nc(C3CC3)n(-c3ccccc3)n2)c2ccccc12 C1CC1[*:1] Cc1nnc(Sc2nc(n(n2)-c2ccccc2)[*:1])c2ccccc12
COc1cc(Br)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC O=C1CCCN1[*:1] COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1cccc(c1)[*:1]
Cc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1[nH]ncc1C(=O)N[C@H](C)[*:1]
Cc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cn[nH]c1[*:1])c1ccc(F)cc1
O=C(NCc1nccc2ccccc12)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(NCc1nccc2ccccc12)N[C@@H](c1ccccn1)[*:1]
O=C(NCc1nccc2ccccc12)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(NCc1nccc2ccccc12)N[C@@H](c1ccccc1)[*:1]
O=C(NCc1cn(-c2ccccc2)nn1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1cn(nn1)-c1ccccc1)[C@H]1C[C@H]1[*:1]
O=C(NCc1cn(-c2ccccc2)nn1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(NCc1cn(nn1)[*:1])[C@H]1C[C@@H]1c1ccc(Cl)cc1
Cc1cccc2c(=O)n(C/C([O-])=N/c3ncn[nH]3)cnc12 c1n[nH]c(n1)[*:1] Cc1cccc2c(=O)n(cnc12)CC([O-])=N[*:1]
Cc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3F)c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nccn(c1=O)[*:1])Nc1ccccc1F
Cc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3F)c2=O)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-n1ccnc(SCC(=O)N[*:1])c1=O
Cn1cc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c(-c2ccc3c(c2)OCCO3)n1 c1cc2OCCOc2cc1[*:1] Cn1cc(C[NH+]2CCN(CC2)c2nc3ccccc3o2)c(n1)[*:1]
Cn1cc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c(-c2ccc3c(c2)OCCO3)n1 c1ccc2oc(nc2c1)[*:1] Cn1cc(C[NH+]2CCN(CC2)[*:1])c(n1)-c1ccc2OCCOc2c1
Cc1oc(-c2ccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)nc1COc1ccccc1 c1ccc(cc1)[*:1] Cc1oc(nc1CO[*:1])-c1ccc(cc1)C(=O)N1C[C@@H](C)C[C@@H](C)C1
Cc1oc(-c2ccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)nc1COc1ccccc1 c1ccc(cc1)O[*:1] Cc1oc(nc1C[*:1])-c1ccc(cc1)C(=O)N1C[C@@H](C)C[C@@H](C)C1
Cc1oc(-c2ccc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)nc1COc1ccccc1 c1ccc(cc1)OC[*:1] Cc1oc(nc1[*:1])-c1ccc(cc1)C(=O)N1C[C@@H](C)C[C@@H](C)C1
C[C@H]([NH2+]Cc1ccccc1C[NH+](C)C)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H]([NH2+]Cc1ccccc1C[NH+](C)C)[*:1]
C[C@H](SCC(=O)NNC(=O)c1cccs1)c1cccs1 c1csc(c1)[*:1] C[C@H](SCC(=O)NNC(=O)[*:1])c1cccs1
C[C@H](SCC(=O)NNC(=O)c1cccs1)c1cccs1 c1csc(c1)[*:1] C[C@H](SCC(=O)NNC(=O)c1cccs1)[*:1]
Cc1ccc2cnn(CCCNC(=O)c3ccccn3)c2c1 c1ccc(nc1)[*:1] Cc1ccc2cnn(CCCNC(=O)[*:1])c2c1
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 Clc1cccc(c1Cl)[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])NC[C@@H]1CCCO1
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)[*:1])NC[C@@H]1CCCO1
CCOC[C@H]1CCN(C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)C1 CNC(=O)[*:1] CCOC[C@H]1CCN(C1)C(=O)Nc1ccc2ccn(C[*:1])c2c1
CCOC[C@H]1CCN(C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)C1 CNC(=O)C[*:1] CCOC[C@H]1CCN(C1)C(=O)Nc1ccc2ccn(c2c1)[*:1]
CCOC[C@H]1CCN(C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)C1 CCO[*:1] CNC(=O)Cn1ccc2ccc(cc21)NC(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)C1 CCOC[*:1] CNC(=O)Cn1ccc2ccc(cc21)NC(=O)N1CC[C@@H](C1)[*:1]
COc1cccc(N2C(N)=[NH+]C[C@@]2(C)C(C)C)c1 CC(C)[*:1] COc1cccc(c1)N1C(N)=[NH+]C[C@]1(C)[*:1]
O=C(CCSc1ccccn1)Nc1ccc(-c2ncc[nH]2)cc1 c1ccc(nc1)S[*:1] O=C(CC[*:1])Nc1ccc(cc1)-c1ncc[nH]1
O=C(CCSc1ccccn1)Nc1ccc(-c2ncc[nH]2)cc1 c1c[nH]c(n1)[*:1] O=C(CCSc1ccccn1)Nc1ccc(cc1)[*:1]
O=C(CCSc1ccccn1)Nc1ccc(-c2ncc[nH]2)cc1 c1ccc(nc1)[*:1] O=C(CCS[*:1])Nc1ccc(cc1)-c1ncc[nH]1
COC(=O)c1c(C2CC2)csc1NC(=O)c1cc(C(C)C)no1 COC(=O)[*:1] CC(C)c1cc(on1)C(=O)Nc1scc(c1[*:1])C1CC1
COC(=O)c1c(C2CC2)csc1NC(=O)c1cc(C(C)C)no1 CC(C)[*:1] COC(=O)c1c(csc1NC(=O)c1cc(no1)[*:1])C1CC1
COC(=O)c1c(C2CC2)csc1NC(=O)c1cc(C(C)C)no1 C1CC1[*:1] COC(=O)c1c(csc1NC(=O)c1cc(no1)C(C)C)[*:1]
CCN(CC(F)(F)F)S(=O)(=O)c1cc(Cl)sc1Cl FC(F)(F)[*:1] CCN(C[*:1])S(=O)(=O)c1cc(Cl)sc1Cl
CCN(CC(F)(F)F)S(=O)(=O)c1cc(Cl)sc1Cl FC(F)(F)C[*:1] CCN(S(=O)(=O)c1cc(Cl)sc1Cl)[*:1]
C/C=C(/C)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 CC=C(C)[*:1] O=C(N1CCO[C@H](C1)c1ccc(F)c(F)c1)[*:1]
COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(O)c(OC)c1 COC(=O)[*:1] COc1cc(ccc1O)[C@H]1Nc2ccccc2NC2C[C@@H](C)[C@H](C(=O)C=21)[*:1]
COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(O)c(OC)c1 COc1cc(ccc1O)[*:1] COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2[*:1]
Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)ccn1 O=S(=O)(NC1CC1)[*:1] Cc1cc(ccn1)NC(=O)c1cccc(c1)[*:1]
Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)ccn1 C1CC1[*:1] Cc1cc(ccn1)NC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)ccn1 Cc1cc(ccn1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)NC1CC1
O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)C(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(Nc1ccc(cc1)C[*:1])C(=O)N1CCCC1
O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)CC[*:1])C(=O)N1CCCC1
Cc1cc([C@@H](C)NC(=O)Nc2cccc(Cn3cncn3)c2)c(C)o1 c1ncn(C[*:1])n1 Cc1cc(c(C)o1)[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
Cc1cc([C@@H](C)NC(=O)Nc2cccc(Cn3cncn3)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)Cn1cncn1)[*:1]
Cc1cc([C@@H](C)NC(=O)Nc2cccc(Cn3cncn3)c2)c(C)o1 c1ncn(n1)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)Nc1cccc(c1)C[*:1]
CC(C)(c1ccccc1)c1nnc(NC(=O)C(=O)NC2CCCC2)s1 c1ccc(cc1)[*:1] CC(C)(c1nnc(NC(=O)C(=O)NC2CCCC2)s1)[*:1]
CC(C)(c1ccccc1)c1nnc(NC(=O)C(=O)NC2CCCC2)s1 C1CCC(C1)[*:1] CC(C)(c1ccccc1)c1nnc(NC(=O)C(=O)N[*:1])s1
O=C(NCCc1nccs1)N(Cc1ccc(F)cc1F)C1CC1 c1csc(CC[*:1])n1 O=C(N[*:1])N(Cc1ccc(F)cc1F)C1CC1
O=C(NCCc1nccs1)N(Cc1ccc(F)cc1F)C1CC1 c1csc(C[*:1])n1 O=C(NC[*:1])N(Cc1ccc(F)cc1F)C1CC1
O=C(NCCc1nccs1)N(Cc1ccc(F)cc1F)C1CC1 C1CC1[*:1] O=C(NCCc1nccs1)N(Cc1ccc(F)cc1F)[*:1]
O=C(NCCc1nccs1)N(Cc1ccc(F)cc1F)C1CC1 c1csc(n1)[*:1] O=C(NCC[*:1])N(Cc1ccc(F)cc1F)C1CC1
Cc1ccc(N2C[C@@H](C(=O)NCC3(N4CCOCC4)CCCCC3)CC2=O)cc1F Cc1ccc(cc1F)[*:1] O=C(NCC1(CCCCC1)N1CCOCC1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCC3(N4CCOCC4)CCCCC3)CC2=O)cc1F C1CN(CCO1)[*:1] Cc1ccc(cc1F)N1C[C@H](CC1=O)C(=O)NCC1(CCCCC1)[*:1]
CCn1cc(NC(=O)N[C@@H](CCO)c2cccs2)ccc1=O c1csc(c1)[*:1] CCn1cc(ccc1=O)NC(=O)N[C@@H](CCO)[*:1]
CCn1cc(NC(=O)N[C@@H](CCO)c2cccs2)ccc1=O OCC[*:1] CCn1cc(ccc1=O)NC(=O)N[C@@H](c1cccs1)[*:1]
C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cc(C)oc1C c1ccc(cc1)[*:1] C=CCN(C[*:1])C(=O)N[C@@H](C)c1cc(C)oc1C
C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cc(C)oc1C c1ccc(cc1)C[*:1] C=CCN(C(=O)N[C@@H](C)c1cc(C)oc1C)[*:1]
C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)[*:1]
C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cc(C)oc1C C=CC[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)N(Cc1ccccc1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1ccc2ccccc2n1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)c1ccc2ccccc2n1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1ccc2ccccc2n1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1ccc2ccccc2n1
c1ccc(-c2ncc(C[NH2+]C[C@H]3CN4CCCC[C@@H]4CO3)s2)nc1 c1ccc(nc1)[*:1] c1nc(sc1C[NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
CCc1cnc([C@@H](C)NC(=O)c2ccc(-c3cscn3)cc2)s1 c1nc(cs1)[*:1] CCc1cnc(s1)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
CCc1cnc([C@@H](C)NC(=O)c2ccc(-c3cscn3)cc2)s1 CCc1cnc(s1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)-c1cscn1)[*:1]
O=C(Nc1cccnc1-n1cncn1)N1CCc2c(Br)cccc2C1 c1ncn(n1)[*:1] O=C(Nc1cccnc1[*:1])N1CCc2c(Br)cccc2C1
CC(C)(C)C(=O)CC1(O)CCCCC1 CC(C)(C)[*:1] O=C(CC1(O)CCCCC1)[*:1]
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(CC)cc1 CCc1ccc(cc1)[*:1] CCOC(=O)C1=C(NC(=O)N[C@@H]1[*:1])c1ccccc1
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(CC)cc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(NC(=O)N[C@H]1c1ccc(cc1)CC)[*:1]
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(CC)cc1 CCOC(=O)[*:1] CCc1ccc(cc1)[C@@H]1NC(=O)NC(=C1[*:1])c1ccccc1
Cc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCCC[C@H]2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nncn1[*:1]
CCOc1ccc(N2C(=O)[C@@H]3C(C(=O)OC)=NN(c4ccc(Cl)cc4)[C@H]3C2=O)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)[C@@H]2C(=NN([C@H]2C1=O)[*:1])C(=O)OC
CCOc1ccc(N2C(=O)[C@@H]3C(C(=O)OC)=NN(c4ccc(Cl)cc4)[C@H]3C2=O)cc1 CCO[*:1] COC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(C(=O)[C@H]12)c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)[C@@H]3C(C(=O)OC)=NN(c4ccc(Cl)cc4)[C@H]3C2=O)cc1 CCOc1ccc(cc1)[*:1] COC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(C(=O)[C@H]12)[*:1]
Clc1ccc2c(NCc3ccccn3)ncnc2c1 c1ccc(nc1)[*:1] Clc1ccc2c(ncnc2c1)NC[*:1]
O=C(NCc1ccc(C(F)(F)F)cc1)c1ccnc2c1OCO2 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccnc2OCOc12
N=C(/C(C(=O)c1ccccc1)=C(\[O-])c1ccccc1)c1nonc1N c1ccc(cc1)[*:1] N=C(/C(C(=O)c1ccccc1)=C(\[O-])[*:1])c1nonc1N
N=C(/C(C(=O)c1ccccc1)=C(\[O-])c1ccccc1)c1nonc1N O=C(c1ccccc1)[*:1] N=C(C(=C([O-])c1ccccc1)[*:1])c1nonc1N
N=C(/C(C(=O)c1ccccc1)=C(\[O-])c1ccccc1)c1nonc1N c1ccc(cc1)[*:1] N=C(/C(C(=O)[*:1])=C(\[O-])c1ccccc1)c1nonc1N
CCNC(=O)c1cccc(CNC(=O)N2CCOC[C@@H]2C2CC2)c1 CCNC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])N1CCOC[C@@H]1C1CC1
CCNC(=O)c1cccc(CNC(=O)N2CCOC[C@@H]2C2CC2)c1 C1CC1[*:1] CCNC(=O)c1cccc(c1)CNC(=O)N1CCOC[C@H]1[*:1]
CCc1onc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)c(C)c1 CCc1onc(C)c1[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC[C@H]1[*:1]
CCc1onc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CCc1onc(C)c1[C@@H]1CCCN1S(=O)(=O)[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CCc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CC[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CCc1ccc(C#N)cc1 Fc1ccc(F)c(c1)[*:1] C[C@@H](N(C)C(=O)CCc1ccc(C#N)cc1)[*:1]
CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(C)c2O)cc1C Cc1cccc(c1O)[*:1] CCS(=O)(=O)[N-]c1ccc(cc1C)NC(=O)[*:1]
COCC[NH+]1CCC(CNC(=O)Nc2cccc(Cl)c2)CC1 COCC[*:1] O=C(NCC1CC[NH+](CC1)[*:1])Nc1cccc(Cl)c1
COCC[NH+]1CCC(CNC(=O)Nc2cccc(Cl)c2)CC1 COC[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])Nc1cccc(Cl)c1
COCC[NH+]1CCC(CNC(=O)Nc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COCC[NH+]1CCC(CC1)CNC(=O)N[*:1]
CCOC(=O)c1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)/N=C1\NC(=O)SC1=C[*:1]
CCOC(=O)c1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(OC)cc2)cc1 CCOC(=O)[*:1] COc1ccc(/C=C2\SC(=O)N\C2=N/c2ccc(cc2)[*:1])cc1
Cc1ccc(N(CCC#N)C(=O)CSC2=N[C@H](C)CS2)cc1C N#CC[*:1] Cc1ccc(cc1C)N(C[*:1])C(=O)CSC1=N[C@H](C)CS1
Cc1ccc(N(CCC#N)C(=O)CSC2=N[C@H](C)CS2)cc1C N#CCC[*:1] Cc1ccc(cc1C)N(C(=O)CSC1=N[C@H](C)CS1)[*:1]
c1ccc2cc(NCc3ccncc3)ccc2c1 c1cc(ccn1)[*:1] c1ccc2cc(ccc2c1)NC[*:1]
CCN(C(=O)C1CCOCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CCN(C(=O)C1CCOCC1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCN(C(=O)C1CCOCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CCN(C(=O)C1CCOCC1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCN(C(=O)C1CCOCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O C1CC(CCO1)[*:1] CCN(C(=O)[*:1])c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C)C1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)N1CCC[C@H](C)C1
C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](C)[*:1]
Cc1ccc(CNC(=O)c2occc2C)c(OC(C)(C)C)c1 Cc1ccoc1[*:1] Cc1ccc(CNC(=O)[*:1])c(c1)OC(C)(C)C
Cc1ccc(CNC(=O)c2occc2C)c(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1ccc(CNC(=O)c2occc2C)c(c1)[*:1]
Cc1ccc(CNC(=O)c2occc2C)c(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(CNC(=O)c2occc2C)c(c1)O[*:1]
COC(=O)c1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 COC(=O)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(cc1)[*:1]
COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)C[*:1]
COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)[*:1]
C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CCc1ccc(OC)cc1 C=CC[*:1] COc1ccc(cc1)CCC(=O)N1[C@H](C)C=CC[C@H]1[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccnc(OCc2ccccc2)c1 Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)NCc1ccnc(c1)OCc1ccccc1)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccnc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] Cc1onc(c1C(=O)NCc1ccnc(c1)[*:1])-c1c(F)cccc1Cl
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccnc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1onc(c1C(=O)NCc1ccnc(c1)O[*:1])-c1c(F)cccc1Cl
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccnc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)NCc1ccnc(c1)OC[*:1])-c1c(F)cccc1Cl
CCCn1c(C)cc(-c2csc(NC(=O)CCc3cccnc3)n2)c1C c1cncc(c1)C[*:1] CCCn1c(C)cc(-c2csc(n2)NC(=O)C[*:1])c1C
CCCn1c(C)cc(-c2csc(NC(=O)CCc3cccnc3)n2)c1C c1cncc(c1)[*:1] CCCn1c(C)cc(-c2csc(n2)NC(=O)CC[*:1])c1C
CCCn1c(C)cc(-c2csc(NC(=O)CCc3cccnc3)n2)c1C CCC[*:1] Cc1cc(-c2csc(n2)NC(=O)CCc2cccnc2)c(C)n1[*:1]
CCCn1c(C)cc(-c2csc(NC(=O)CCc3cccnc3)n2)c1C c1cncc(c1)CC[*:1] CCCn1c(C)cc(-c2csc(n2)NC(=O)[*:1])c1C
CCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 CCC[*:1] C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[*:1]
CCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CCCNC(=O)[C@@H](C)NC(=O)C=C[*:1]
CCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 CCCNC(=O)[*:1] C[C@@H](NC(=O)/C=C/c1ccccc1)[*:1]
CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Cl c1cc2OCOc2cc1[*:1] CC[NH+](CC)[C@@H](CNC(=O)N[*:1])c1ccccc1Cl
CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Cl Clc1ccccc1[*:1] CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2OCOc2c1)[*:1]
Cc1nccn1-c1ccc([C@H](C)Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 CS(=O)(=O)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)Nc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1nccn1-c1ccc([C@H](C)Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 Cc1nccn1[*:1] C[C@H](Nc1ccc(cc1[N+](=O)[O-])S(C)(=O)=O)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@H](C)Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)Nc1ccc(cc1[*:1])S(C)(=O)=O
Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccccc4)nn32)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)C[C@@H]1C(=O)Nc2nc(nn21)[*:1]
Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccccc4)nn32)cc1C Cc1ccc(cc1C)[*:1] O=C(C[C@@H]1C(=O)Nc2nc(nn21)-c1ccccc1)N[*:1]
CCNC(=O)Cc1cc(-c2ccc(C)cc2)on1 CCNC(=O)C[*:1] Cc1ccc(cc1)-c1cc(no1)[*:1]
CCNC(=O)Cc1cc(-c2ccc(C)cc2)on1 CCNC(=O)[*:1] Cc1ccc(cc1)-c1cc(C[*:1])no1
O=C(c1ccccc1Cl)N(Cc1ccc(F)cc1Cl)c1ccccn1 Clc1ccccc1[*:1] O=C(N(Cc1ccc(F)cc1Cl)c1ccccn1)[*:1]
O=C(c1ccccc1Cl)N(Cc1ccc(F)cc1Cl)c1ccccn1 Fc1ccc(c(Cl)c1)[*:1] O=C(c1ccccc1Cl)N(C[*:1])c1ccccn1
O=C(c1ccccc1Cl)N(Cc1ccc(F)cc1Cl)c1ccccn1 c1ccc(nc1)[*:1] O=C(c1ccccc1Cl)N(Cc1ccc(F)cc1Cl)[*:1]
C/[NH+]=C(/NC[C@H](C)Oc1ccccc1C)NC(C)C CC(C)[*:1] C/[NH+]=C(/NC[C@H](C)Oc1ccccc1C)N[*:1]
Cc1ccc(C(=O)C2CCN(C(=O)N[C@H](C)c3nncn3C)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)C(=O)[*:1])c1nncn1C
Cc1ccc(C(=O)C2CCN(C(=O)N[C@H](C)c3nncn3C)CC2)cc1 Cn1cnnc1[*:1] Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)N[C@H](C)[*:1]
CC(C)CC[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 CC(C)[*:1] C[C@@H](CC[*:1])[NH2+][C@@H]1CS[C@@H](C)C1
CC(C)CC[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 CC(C)C[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CS[C@@H](C)C1
C#CCCOc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 C#CC[*:1] c1cc(ccc1CN1CC[C@@H](C1)C[NH+]1CCCC1)OC[*:1]
C#CCCOc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 C#CCCO[*:1] c1cc(ccc1CN1CC[C@@H](C1)C[NH+]1CCCC1)[*:1]
C#CCCOc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 C#CCC[*:1] c1cc(ccc1CN1CC[C@@H](C1)C[NH+]1CCCC1)O[*:1]
COc1ccc(OCC(=O)Nc2ccccc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)OCC(=O)Nc1ccccc1[*:1]
COc1ccc(OCC(=O)Nc2ccccc2N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccccc1N1CCOCC1
CN(CCC#N)C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 N#CC[*:1] CN(C[*:1])C(=O)CSc1nc(n[nH]1)-c1ccc(Cl)cc1
CN(CCC#N)C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 N#CCC[*:1] CN(C(=O)CSc1nc(n[nH]1)-c1ccc(Cl)cc1)[*:1]
CN(CCC#N)C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 Clc1ccc(cc1)[*:1] CN(CCC#N)C(=O)CSc1nc(n[nH]1)[*:1]
Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C#N)CCCCC2 O=[N+]([O-])[*:1] Cc1c(Cl)c(nn1CCCC(=O)Nc1sc2CCCCCc2c1C#N)[*:1]
Cc1ncsc1C(=O)N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1 Cc1ncsc1C(=O)N[*:1] O=c1cc(C[C@H](c2ccc(F)cc2)[*:1])nc([nH]1)-c1ccccn1
Cc1ncsc1C(=O)N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ncsc1C(=O)N[C@H](Cc1cc(=O)[nH]c(n1)-c1ccccn1)[*:1]
Cc1ncsc1C(=O)N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1 c1ccc(nc1)[*:1] Cc1ncsc1C(=O)N[C@H](Cc1cc(=O)[nH]c(n1)[*:1])c1ccc(F)cc1
Cc1ncsc1C(=O)N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1 Cc1ncsc1[*:1] O=C(N[C@H](Cc1cc(=O)[nH]c(n1)-c1ccccn1)c1ccc(F)cc1)[*:1]
NC(=S)N/N=C/Cc1nnnn1-c1ccc(Cl)cc1 NC(=S)NN=C[*:1] Clc1ccc(cc1)-n1nnnc1C[*:1]
COc1ccc(C)cc1NC(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C Fc1ccccc1C[*:1] COc1ccc(C)cc1NC(=O)c1sc2ncn(c(=O)c2c1C)[*:1]
COc1ccc(C)cc1NC(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C Fc1ccccc1[*:1] COc1ccc(C)cc1NC(=O)c1sc2ncn(C[*:1])c(=O)c2c1C
COc1ccc(C)cc1NC(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C COc1ccc(C)cc1[*:1] Cc1c(sc2ncn(Cc3ccccc3F)c(=O)c12)C(=O)N[*:1]
Cc1occc1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] Cc1occc1C(=O)Nc1cnn(c1)Cc1cccc(c1)[*:1]
Cc1occc1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 Cc1occc1[*:1] O=C(Nc1cnn(c1)Cc1cccc(c1)C(F)(F)F)[*:1]
C=CCNC(=O)c1csc(-c2ccnc(N3CCCCC3)c2)n1 C=CC[*:1] O=C(N[*:1])c1csc(n1)-c1ccnc(c1)N1CCCCC1
C=CCNC(=O)c1csc(-c2ccnc(N3CCCCC3)c2)n1 C1CCN(CC1)[*:1] C=CCNC(=O)c1csc(n1)-c1ccnc(c1)[*:1]
C=CCNC(=O)c1csc(-c2ccnc(N3CCCCC3)c2)n1 C=CCNC(=O)[*:1] c1cc(cc(n1)N1CCCCC1)-c1nc(cs1)[*:1]
Cc1nc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c2cc[nH]c2n1 C1CCC(C1)[*:1] Cc1nc(c2cc[nH]c2n1)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
Cc1nc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c2cc[nH]c2n1 O=C(NC1CCCC1)[*:1] Cc1nc(c2cc[nH]c2n1)N1CCN(CC1)[C@@H](C)[*:1]
CCOC(=O)c1c(NC(=O)CCCO)sc2c1CCC2 CCOC(=O)[*:1] O=C(CCCO)Nc1sc2CCCc2c1[*:1]
CCOC(=O)c1c(NC(=O)CCCO)sc2c1CCC2 OCCC[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2CCCc21
CCOC(=O)c1c(NC(=O)CCCO)sc2c1CCC2 OCC[*:1] CCOC(=O)c1c(NC(=O)C[*:1])sc2CCCc21
CC[C@H](NC(=O)N1CCSCC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)N1CCSCC1)c1cccc(c1)[*:1]
C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)Cc1ccc2CCCc2c1)C(=O)NC[*:1]
C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](NC(=O)Cc1ccc2CCCc2c1)C(=O)N[*:1]
C[C@@H](NC(=O)NC[C@@H]1CCC[C@@H]1O)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@@H](NC(=O)NC[C@@H]1CCC[C@@H]1O)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)NC[C@@H]1CCC[C@@H]1O)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@@H](NC(=O)NC[C@@H]1CCC[C@@H]1O)c1ccc(cc1)O[*:1]
O=C([O-])c1cc(F)cc(-c2cc3ccccc3s2)c1 O=C([O-])[*:1] Fc1cc(cc(c1)[*:1])-c1cc2ccccc2s1
Cc1cccc(OCCCSC2[NH+]=c3ccccc3=[NH+]2)c1 Cc1cccc(c1)[*:1] c1ccc2=[NH+]C([NH+]=c2c1)SCCCO[*:1]
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(Br)c(Br)s1 Brc1cc(sc1Br)[*:1] O=C(NNC(=O)[*:1])C12CC3CC(CC(C3)C1)C2
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)Nc2cnc3ccccc3c2)C1 CS(=O)(=O)[*:1] O=C(Nc1cnc2ccccc2c1)N[C@H]1CCC[C@H](C1)[*:1]
O=C(NC(C1CC1)C1CC1)[C@@H]1C[C@H]1c1ccccc1Cl C1CC1[*:1] O=C(NC(C1CC1)[*:1])[C@@H]1C[C@H]1c1ccccc1Cl
Cc1cc(F)cc(NC(=[NH2+])C(C)C)c1 CC(C)[*:1] Cc1cc(F)cc(c1)NC(=[NH2+])[*:1]
CCC[C@@H](C)NC(=O)Cn1ccc([C@@H](C)[NH3+])c1 CCC[C@@H](C)[*:1] C[C@@H]([NH3+])c1ccn(c1)CC(=O)N[*:1]
CCC[C@@H](C)NC(=O)Cn1ccc([C@@H](C)[NH3+])c1 CCC[*:1] C[C@@H]([NH3+])c1ccn(c1)CC(=O)N[C@H](C)[*:1]
CCc1cccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 CCc1cccc(c1)[*:1] O=C(CO[*:1])Nc1nc(cs1)-c1cccc(c1)[N+](=O)[O-]
CCc1cccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 O=[N+]([O-])c1cccc(c1)[*:1] CCc1cccc(c1)OCC(=O)Nc1nc(cs1)[*:1]
CCc1cccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 O=[N+]([O-])[*:1] CCc1cccc(c1)OCC(=O)Nc1nc(cs1)-c1cccc(c1)[*:1]
CCc1cccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 CCc1cccc(c1)O[*:1] O=C(C[*:1])Nc1nc(cs1)-c1cccc(c1)[N+](=O)[O-]
COc1ccc(/C=C/c2nc(-c3ccc(C)cc3)no2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(/C=C/c2nc(no2)[*:1])cc1
OC[C@]1([NH2+]C2CC2)CC[C@@H](n2cc(C(F)(F)F)cn2)C1 C1CC1[*:1] OC[C@@]1(CC[C@H](C1)n1cc(cn1)C(F)(F)F)[NH2+][*:1]
OC[C@]1([NH2+]C2CC2)CC[C@@H](n2cc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] OC[C@@]1(CC[C@H](C1)n1cc(cn1)[*:1])[NH2+]C1CC1
Cc1cccc(C)c1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 Cc1cccc(C)c1[*:1] O=C(N[*:1])c1ccc(cc1)OC[C@H]1CCCO1
Cc1cccc(C)c1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 C1CO[C@H](C1)CO[*:1] Cc1cccc(C)c1NC(=O)c1ccc(cc1)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)C(C)(C)F)cc1 CC(C)(F)[*:1] CCOC(=O)/C=C/c1ccc(cc1)NC(=O)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)C(C)(C)F)cc1 CCOC(=O)[*:1] CC(C)(F)C(=O)Nc1ccc(C=C[*:1])cc1
Cc1ccc(NC(=O)CN(C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc1 O=C(NC1CC1)[*:1] Cc1ccc(nc1)NC(=O)CN(C)[C@H](c1ccc(F)cc1)[*:1]
Cc1ccc(NC(=O)CN(C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc1 Cc1ccc(nc1)[*:1] CN(CC(=O)N[*:1])[C@H](C(=O)NC1CC1)c1ccc(F)cc1
Cc1ccc(NC(=O)CN(C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc1 Fc1ccc(cc1)[*:1] Cc1ccc(nc1)NC(=O)CN(C)[C@H](C(=O)NC1CC1)[*:1]
Cc1ccc(NC(=O)CN(C)[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc1 C1CC1[*:1] Cc1ccc(nc1)NC(=O)CN(C)[C@H](C(=O)N[*:1])c1ccc(F)cc1
O=C(CNC(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1)Nc1ccccc1 C1CCC(C1)O[*:1] O=C(CNC(=O)N[C@@H]1CCCC[C@@H]1[*:1])Nc1ccccc1
O=C(CNC(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1)N[*:1]
O=C(CNC(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1)Nc1ccccc1 C1CCC(C1)[*:1] O=C(CNC(=O)N[C@@H]1CCCC[C@H]1O[*:1])Nc1ccccc1
COc1ccc(N2C[C@H](C(=O)NCC[C@H](O)c3cccc4ccccc34)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(NCC[C@H](O)c1cccc2ccccc12)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@H](C(=O)NCC[C@H](O)c3cccc4ccccc34)CC2=O)cc1 c1ccc2c(cccc2c1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCC[C@H](O)[*:1]
c1ccc(CCCc2nnc(SC[C@H]3CCCO3)o2)cc1 c1ccc(cc1)[*:1] C1CO[C@H](C1)CSc1nnc(CCC[*:1])o1
c1ccc(CCCc2nnc(SC[C@H]3CCCO3)o2)cc1 C1CO[C@H](C1)[*:1] c1ccc(cc1)CCCc1nnc(o1)SC[*:1]
c1ccc(CCCc2nnc(SC[C@H]3CCCO3)o2)cc1 C1CO[C@H](C1)C[*:1] c1ccc(cc1)CCCc1nnc(o1)S[*:1]
c1ccc(CCCc2nnc(SC[C@H]3CCCO3)o2)cc1 c1ccc(cc1)C[*:1] C1CO[C@H](C1)CSc1nnc(CC[*:1])o1
c1ccc(CCCc2nnc(SC[C@H]3CCCO3)o2)cc1 C1CO[C@H](C1)CS[*:1] c1ccc(cc1)CCCc1nnc(o1)[*:1]
Cc1ccc(NC(=O)C[NH+](C)Cc2cc(C)on2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)NC(=O)C[NH+](C)C[*:1]
CC[C@H](C#N)C(=O)NCCC(=O)NC1CC1 C1CC1[*:1] CC[C@H](C#N)C(=O)NCCC(=O)N[*:1]
CC[C@H](C#N)C(=O)NCCC(=O)NC1CC1 CC[C@H](C#N)[*:1] O=C(CCNC(=O)[*:1])NC1CC1
Cn1cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)cn1 Cn1cc(cn1)[*:1] O=C(N1CCCC[C@@H]1Cc1ccccc1)[*:1]
Cn1cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)C(=O)N1CCCC[C@H]1[*:1]
Cn1cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)C(=O)N1CCCC[C@@H]1C[*:1]
Cc1ccc(-n2cc(CNc3ccc(-n4nc(C)cc4C)cc3)cn2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)NCc1cnn(c1)[*:1]
Cc1ccc(-n2cc(CNc3ccc(-n4nc(C)cc4C)cc3)cn2)cc1 Cc1cc(C)n(n1)[*:1] Cc1ccc(cc1)-n1cc(cn1)CNc1ccc(cc1)[*:1]
CC(C)[C@H](C(=O)OCC(N)=O)c1cccc(Cl)c1 NC(=O)[*:1] CC(C)[C@H](C(=O)OC[*:1])c1cccc(Cl)c1
CC(C)[C@H](C(=O)OCC(N)=O)c1cccc(Cl)c1 NC(=O)C[*:1] CC(C)[C@H](C(=O)O[*:1])c1cccc(Cl)c1
CC(C)[C@H](C(=O)OCC(N)=O)c1cccc(Cl)c1 CC(C)[*:1] NC(=O)COC(=O)[C@H](c1cccc(Cl)c1)[*:1]
N/C(CCCSc1ccccc1[N+](=O)[O-])=N\O O=[N+]([O-])[*:1] N/C(CCCSc1ccccc1[*:1])=N\O
N/C(CCCSc1ccccc1[N+](=O)[O-])=N\O N/C(=N\O)[*:1] O=[N+]([O-])c1ccccc1SCCC[*:1]
N/C(CCCSc1ccccc1[N+](=O)[O-])=N\O N/C(C[*:1])=N\O O=[N+]([O-])c1ccccc1SCC[*:1]
CC(C)c1ccc(/C=C/C(=O)NC2N=NN=N2)cc1 CC(C)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NC1N=NN=N1
C[C@H](CCCO)[NH2+][C@@H]1CCc2c(Cl)cc(Cl)cc21 OCC[*:1] C[C@H](C[*:1])[NH2+][C@@H]1CCc2c(Cl)cc(Cl)cc21
C[C@H](CCCO)[NH2+][C@@H]1CCc2c(Cl)cc(Cl)cc21 OCCC[*:1] C[C@H]([NH2+][C@@H]1CCc2c(Cl)cc(Cl)cc21)[*:1]
C[C@H](CCCO)[NH2+][C@@H]1CCc2c(Cl)cc(Cl)cc21 C[C@H](CCCO)[*:1] Clc1cc(Cl)c2CC[C@@H]([NH2+][*:1])c2c1
CCN(CCC#N)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 CCN(CCC#N)[*:1] Nc1nc(C[*:1])nc(n1)Nc1ccc(F)cc1
CCN(CCC#N)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 N#CCC[*:1] CCN(Cc1nc(N)nc(n1)Nc1ccc(F)cc1)[*:1]
CCN(CCC#N)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCN(CCC#N)Cc1nc(N)nc(n1)N[*:1]
CCN(CCC#N)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 N#CC[*:1] CCN(Cc1nc(N)nc(n1)Nc1ccc(F)cc1)C[*:1]
O=C(Nc1cccc(-c2nnco2)c1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] O=C(Nc1cccc(c1)-c1nnco1)N1CCN(CC1)[*:1]
O=C(Nc1cccc(-c2nnco2)c1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(Nc1cccc(c1)-c1nnco1)N1CCN(CC1)C[*:1]
O=C(Nc1cccc(-c2nnco2)c1)N1CCN(Cc2ccncc2)CC1 c1nnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCN(CC1)Cc1ccncc1
COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OC)N2N=C[N-]C2=N1 COc1ccccc1[*:1] COC(=O)C1N=C2[N-]C=NN2[C@@H](C=1C(=O)c1ccccc1)[*:1]
COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OC)N2N=C[N-]C2=N1 O=C(c1ccccc1)[*:1] COC(=O)C1N=C2[N-]C=NN2[C@H](C=1[*:1])c1ccccc1OC
COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OC)N2N=C[N-]C2=N1 c1ccc(cc1)[*:1] COC(=O)C1N=C2[N-]C=NN2[C@H](C=1C(=O)[*:1])c1ccccc1OC
COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OC)N2N=C[N-]C2=N1 COC(=O)[*:1] COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(N=C2[N-]C=NN21)[*:1]
Cc1ccc(C)c(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(c1ccc(cc1)N1CCCC1=O)N1CCN(CC1)[*:1]
Cc1ccc(C)c(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1 O=C1CCCN1[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COc1c(C[NH+]2CCC(C(=O)NC(C)C)CC2)c(C)nn1C CC(C)NC(=O)[*:1] COc1c(C[NH+]2CCC(CC2)[*:1])c(C)nn1C
COc1c(C[NH+]2CCC(C(=O)NC(C)C)CC2)c(C)nn1C CC(C)[*:1] COc1c(C[NH+]2CCC(CC2)C(=O)N[*:1])c(C)nn1C
COc1ccccc1[C@H](NC(=O)c1ccncc1)c1noc(C)n1 c1cc(ccn1)[*:1] COc1ccccc1[C@H](NC(=O)[*:1])c1noc(C)n1
COc1ccccc1[C@H](NC(=O)c1ccncc1)c1noc(C)n1 Cc1nc(no1)[*:1] COc1ccccc1[C@H](NC(=O)c1ccncc1)[*:1]
COc1ccccc1[C@H](NC(=O)c1ccncc1)c1noc(C)n1 COc1ccccc1[*:1] Cc1nc(no1)[C@@H](NC(=O)c1ccncc1)[*:1]
CCN(C1CCN(C(=O)CCOc2c(C)cccc2C)CC1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] Cc1cccc(C)c1OCCC(=O)N1CCC(CC1)[*:1]
CCN(C1CCN(C(=O)CCOc2c(C)cccc2C)CC1)S(C)(=O)=O Cc1cccc(C)c1[*:1] CCN(C1CCN(CC1)C(=O)CCO[*:1])S(C)(=O)=O
C[C@H](OC(=O)[C@@H](OC1CCCC1)c1ccccc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](OC(=O)[C@@H](OC1CCCC1)c1ccccc1)[*:1]
C[C@H](OC(=O)[C@@H](OC1CCCC1)c1ccccc1)[C@H]1CCCO1 c1ccc(cc1)[*:1] C[C@H](OC(=O)[C@@H](OC1CCCC1)[*:1])[C@H]1CCCO1
C[C@H](OC(=O)[C@@H](OC1CCCC1)c1ccccc1)[C@H]1CCCO1 C1CCC(C1)[*:1] C[C@H](OC(=O)[C@@H](O[*:1])c1ccccc1)[C@H]1CCCO1
C[C@H](OC(=O)[C@@H](OC1CCCC1)c1ccccc1)[C@H]1CCCO1 C1CCC(C1)O[*:1] C[C@H](OC(=O)[C@@H](c1ccccc1)[*:1])[C@H]1CCCO1
Cc1cc(=O)c(C(=O)Nc2ccc(Cl)nn2)nn1-c1ccccc1F Fc1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)Nc1ccc(Cl)nn1
Cc1cc(=O)c(C(=O)Nc2ccc(Cl)nn2)nn1-c1ccccc1F Clc1ccc(nn1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)Nc1nnc(N2CCCC2)s1 C1CCN(C1)[*:1] Cc1ccc(Cl)cc1NC(=O)Nc1nnc(s1)[*:1]
O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(F)cc1Cl c1csc(c1)[*:1] O=C(Cn1nnc(n1)[*:1])Nc1ccc(F)cc1Cl
CC(C)N[C@](C)(C#N)CSC[C@H](C)CO C[C@H](CO)C[*:1] CC(C)N[C@](C)(C#N)CS[*:1]
CC(C)N[C@](C)(C#N)CSC[C@H](C)CO CC(C)[*:1] C[C@H](CO)CSC[C@@](C)(C#N)N[*:1]
CC(C)N[C@](C)(C#N)CSC[C@H](C)CO CC(C)N[*:1] C[C@H](CO)CSC[C@](C)(C#N)[*:1]
CC(C)N[C@](C)(C#N)CSC[C@H](C)CO C[C@H](CO)[*:1] CC(C)N[C@](C)(C#N)CSC[*:1]
C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(C)(C)O CC(C)(O)[*:1] C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)[*:1]
CCCNC(=O)Nc1c(C)cccc1C(C)C CCC[*:1] Cc1cccc(c1NC(=O)N[*:1])C(C)C
CCCNC(=O)Nc1c(C)cccc1C(C)C CC(C)[*:1] CCCNC(=O)Nc1c(C)cccc1[*:1]
CC[C@](C)([C@@H](O)C1CCOCC1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@](C)([C@@H](O)C1CCOCC1)[*:1]
CC[C@](C)([C@@H](O)C1CCOCC1)N1CCOCC1 C1CC(CCO1)[*:1] CC[C@](C)([C@@H](O)[*:1])N1CCOCC1
Cc1ncc([C@H](C)[NH2+]CCOc2ccccc2C)s1 Cc1ncc(s1)[*:1] Cc1ccccc1OCC[NH2+][C@@H](C)[*:1]
C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N(C)c1ccccc1 FC(F)(F)[*:1] C[C@H](Sc1nc(nc2ccccc12)[*:1])C(=O)N(C)c1ccccc1
C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nc(nc2ccccc12)C(F)(F)F)C(=O)N(C)[*:1]
C[C@@H]1C[C@H]1NC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] C[C@@H]1C[C@H]1NC(=O)N1CCCN(CC1)C(=O)[*:1]
Cc1ccccc1Cc1noc(CN2C[C@H](C)O[C@H](C)C2)n1 Cc1ccccc1[*:1] C[C@H]1CN(Cc2nc(C[*:1])no2)C[C@@H](C)O1
COc1cc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(Cl)cc2)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1c1ccc(Cl)cc1)[*:1]
COc1cc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(Cl)cc2)ccc1O COc1cc(ccc1O)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](N1c1ccc(Cl)cc1)[*:1]
COc1cc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(Cl)cc2)ccc1O Clc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccccc1
Cc1cccnc1CC(=O)CCC1CCCCC1 C1CCC(CC1)[*:1] Cc1cccnc1CC(=O)CC[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 CC(=O)N[*:1] CN1C(=O)CCc2cc(ccc21)NS(=O)(=O)c1ccc(cc1)[*:1]
O=C([O-])Cc1ccc(-c2cccc(F)c2F)cc1 O=C([O-])C[*:1] Fc1cccc(-c2ccc(cc2)[*:1])c1F
O=C([O-])Cc1ccc(-c2cccc(F)c2F)cc1 O=C([O-])[*:1] Fc1cccc(-c2ccc(cc2)C[*:1])c1F
CCc1ccc(-c2noc(N)c2-c2ccccc2)o1 c1ccc(cc1)[*:1] CCc1ccc(o1)-c1noc(N)c1[*:1]
CC(C)NC(=O)C[C@@H](C)NC(=O)N[C@H](C)CO CC(C)[*:1] C[C@H](CO)NC(=O)N[C@H](C)CC(=O)N[*:1]
CC(C)NC(=O)C[C@@H](C)NC(=O)N[C@H](C)CO C[C@H](CO)[*:1] CC(C)NC(=O)C[C@@H](C)NC(=O)N[*:1]
Cc1ccc2ncc(C(=O)N(CC3CC3)c3cccnc3)n2c1 C1CC1[*:1] Cc1ccc2ncc(C(=O)N(C[*:1])c3cccnc3)n2c1
Cc1ccc2ncc(C(=O)N(CC3CC3)c3cccnc3)n2c1 c1cncc(c1)[*:1] Cc1ccc2ncc(C(=O)N(CC3CC3)[*:1])n2c1
Cc1ccc2ncc(C(=O)N(CC3CC3)c3cccnc3)n2c1 C1CC1C[*:1] Cc1ccc2ncc(C(=O)N(c3cccnc3)[*:1])n2c1
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2ccncc2)c1 FC(F)[*:1] COc1ccc(O[*:1])c(/C=C(/C#N)C(=O)Nc2ccncc2)c1
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2ccncc2)c1 c1cc(ccn1)[*:1] COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)N[*:1])c1
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)Nc2ccncc2)c1 FC(F)O[*:1] COc1ccc(c(/C=C(/C#N)C(=O)Nc2ccncc2)c1)[*:1]
CNC(=O)CC1CC[NH+](Cc2cc(OC)c(O)cc2[N+](=O)[O-])CC1 CNC(=O)C[*:1] COc1cc(C[NH+]2CCC(CC2)[*:1])c(cc1O)[N+](=O)[O-]
CNC(=O)CC1CC[NH+](Cc2cc(OC)c(O)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CNC(=O)CC1CC[NH+](CC1)Cc1cc(OC)c(O)cc1[*:1]
CNC(=O)CC1CC[NH+](Cc2cc(OC)c(O)cc2[N+](=O)[O-])CC1 CNC(=O)[*:1] COc1cc(C[NH+]2CCC(CC2)C[*:1])c(cc1O)[N+](=O)[O-]
[O-]c1nnc(-c2cccs2)c2c1Nc1nnnn1[C@H]2c1ccc(Cl)cc1Cl c1csc(c1)[*:1] [O-]c1nnc(c2c1Nc1nnnn1[C@H]2c1ccc(Cl)cc1Cl)[*:1]
[O-]c1nnc(-c2cccs2)c2c1Nc1nnnn1[C@H]2c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] [O-]c1nnc(-c2cccs2)c2c1Nc1nnnn1[C@@H]2[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCC(=O)c2ccc(F)cc2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)/N=C(\[O-])CCCC(=O)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCC(=O)c2ccc(F)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CCC/C([O-])=N/S(=O)(=O)[*:1])c1ccc(F)cc1
Cc1cccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)O2)c1 Brc1cccc(c1)[*:1] Cc1cccc(c1)C1=NC(=C[*:1])C(=O)O1
Cc1cccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)O2)c1 Cc1cccc(c1)[*:1] O=C1OC(=N/C1=C/c1cccc(Br)c1)[*:1]
C[C@@H]([NH2+]C1C(C)(C)C1(C)C)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H]([NH2+]C1C(C)(C)C1(C)C)c1ccc(cc1)[*:1]
C[C@H](CCOc1ccccc1)C(=O)N[C@@]1(C#N)CCSC1 c1ccc(cc1)[*:1] C[C@H](CCO[*:1])C(=O)N[C@@]1(C#N)CCSC1
C[C@H](CCOc1ccccc1)C(=O)N[C@@]1(C#N)CCSC1 c1ccc(cc1)O[*:1] C[C@H](CC[*:1])C(=O)N[C@@]1(C#N)CCSC1
O=C(c1ccoc1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 c1cc(co1)[*:1] O=C(N1CCN(CC1)Cc1ccc(s1)-c1ccccc1)[*:1]
O=C(c1ccoc1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 c1ccc(cc1)[*:1] O=C(c1ccoc1)N1CCN(CC1)Cc1ccc(s1)[*:1]
CCC[NH2+][C@H]1[C@H]([NH+](C)C)CCCC1(C)C CCC[*:1] C[NH+](C)[C@@H]1CCCC(C)(C)[C@H]1[NH2+][*:1]
C/[NH+]=C(/NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCC[C@@H](C)C1 FC(F)(F)[*:1] C/[NH+]=C(/NC[C@@H]1CCN(C1)C[*:1])N1CCC[C@@H](C)C1
C/[NH+]=C(/NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCC[C@@H](C)C1 FC(F)(F)C[*:1] C/[NH+]=C(/NC[C@@H]1CCN(C1)[*:1])N1CCC[C@@H](C)C1
Cc1nc(-c2cccc(CNC(=O)c3cccc(C)c3O)c2)n[nH]1 Cc1cccc(c1O)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)[*:1]
Cc1nc(-c2cccc(CNC(=O)c3cccc(C)c3O)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cc1cccc(C(=O)NCc2cccc(c2)[*:1])c1O
CC1CCN(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CC1 C1CCC(C1)[*:1] CC1CCN(CC1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC1CCN(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CC1 O=C(NC1CCCC1)[*:1] CC1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
CCc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1 O=C(Nc1ccccc1)[*:1] CCc1ccc(cc1)[C@H]1[C@H]([C@@H](C)Nc2ncnn21)[*:1]
CCc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)[C@H]1[C@H](C(=O)N[*:1])[C@@H](C)Nc2ncnn21
CCc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1 CCc1ccc(cc1)[*:1] C[C@H]1Nc2ncnn2[C@H]([C@@H]1C(=O)Nc1ccccc1)[*:1]
CC[C@@H](NC(=O)N[C@H](CO)c1ccccc1F)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)N[C@H](CO)c1ccccc1F)[*:1]
CC[C@@H](NC(=O)N[C@H](CO)c1ccccc1F)c1ccc(C)c(F)c1 Fc1ccccc1[*:1] CC[C@@H](NC(=O)N[C@H](CO)[*:1])c1ccc(C)c(F)c1
CCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 CCS[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc(nn1[C@H]2c1cccc(c1)[N+](=O)[O-])[*:1]
CCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 O=[N+]([O-])[*:1] CCSc1nc2NC3CC(C)(C)CC(=O)C=3[C@H](c3cccc(c3)[*:1])n2n1
CCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 O=[N+]([O-])c1cccc(c1)[*:1] CCSc1nc2NC3CC(C)(C)CC(=O)C=3[C@H](n2n1)[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](C1)NC(=O)N[*:1]
COc1ccc2[nH]cc(CCNC(=O)c3ccc(F)cc3)c2c1 Fc1ccc(cc1)[*:1] COc1ccc2[nH]cc(CCNC(=O)[*:1])c2c1
CC1(C)CN(C(=O)Cc2csc(-c3ccccn3)n2)CC[S@@]1=O c1ccc(nc1)[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)Cc1csc(n1)[*:1]
CCn1nc(C)cc1CNc1cc(C(F)(F)F)ccc1C FC(F)(F)[*:1] CCn1nc(C)cc1CNc1cc(ccc1C)[*:1]
COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cc(Br)ccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccc(Br)cc1[C@H]1SCCN1S(=O)(=O)[*:1]
N/C(NCCc1csc(-c2ccccc2)n1)=[NH+]\C[C@@H]1CCCO1 c1ccc(cc1)[*:1] N/C(NCCc1csc(n1)[*:1])=[NH+]\C[C@@H]1CCCO1
C[C@@H](CNC(=O)N1CCOc2ccccc2C1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)N1CCOc2ccccc2C1)[*:1]
N#C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#C[C@H](NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
N#C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 O=[N+]([O-])[*:1] N#C[C@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1ccc(Cl)cc1
Cc1cnc(CNC(=O)[C@@H]2C=NN=C2C2CCCCC2)cn1 C1CCC(CC1)[*:1] Cc1cnc(cn1)CNC(=O)[C@@H]1C=NN=C1[*:1]
Cc1cnc(CNC(=O)[C@@H]2C=NN=C2C2CCCCC2)cn1 Cc1cnc(cn1)[*:1] O=C(NC[*:1])[C@@H]1C=NN=C1C1CCCCC1
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Clc1ccc(cc1)O[*:1] CC(C)(C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(F)c1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(F)c1
O=C1N[C@H](c2cccs2)c2c(-c3ccco3)n[nH]c21 c1coc(c1)[*:1] O=C1N[C@H](c2cccs2)c2c(n[nH]c21)[*:1]
O=C1N[C@H](c2cccs2)c2c(-c3ccco3)n[nH]c21 c1csc(c1)[*:1] O=C1N[C@H](c2c(n[nH]c21)-c1ccco1)[*:1]
CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O c1csc(c1)[*:1] CCN(C[*:1])C(=O)N[C@@H]1CCN(C1=O)c1ccccc1
CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O c1csc(c1)C[*:1] CCN(C(=O)N[C@@H]1CCN(C1=O)c1ccccc1)[*:1]
CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C1=O)[*:1]
O=C(c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)N1CCCC1 C(=C[*:1])c1ccccc1 O=C(c1cccc(c1)NS(=O)(=O)[*:1])N1CCCC1
O=C(c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)N1CCCC1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)NS(=O)(=O)C=C[*:1])N1CCCC1
O=C(c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(/C=C/c1ccccc1)Nc1cccc(c1)[*:1]
Cc1ccc2c(COc3ccc(C(N)=O)cc3)cc(=O)oc2c1C NC(=O)[*:1] Cc1ccc2c(cc(=O)oc2c1C)COc1ccc(cc1)[*:1]
Cn1c(=O)c2sccc2n2c(C[NH+](C)CCCCc3ccccc3)nnc12 c1ccc(cc1)[*:1] Cn1c(=O)c2sccc2n2c(C[NH+](C)CCCC[*:1])nnc12
Cn1c(=O)c2sccc2n2c(C[NH+](C)CCCCc3ccccc3)nnc12 c1ccc(cc1)CC[*:1] Cn1c(=O)c2sccc2n2c(C[NH+](C)CC[*:1])nnc12
Cn1c(=O)c2sccc2n2c(C[NH+](C)CCCCc3ccccc3)nnc12 c1ccc(cc1)CCC[*:1] Cn1c(=O)c2sccc2n2c(C[NH+](C)C[*:1])nnc12
Cn1c(=O)c2sccc2n2c(C[NH+](C)CCCCc3ccccc3)nnc12 c1ccc(cc1)C[*:1] Cn1c(=O)c2sccc2n2c(C[NH+](C)CCC[*:1])nnc12
O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 c1cnn(c1)[*:1] O=C(NCc1ccc(cc1)C[*:1])[C@@H]1CS[C@@]2(CCC(=O)N12)c1ccccc1
O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)Cn1cccn1)[C@@H]1CS[C@@]2(CCC(=O)N12)[*:1]
O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 c1cnn(c1)C[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1CS[C@@]2(CCC(=O)N12)c1ccccc1
Cc1ncc(C[n+]2csc(CCOS(=O)(=O)[O-])c2C)c(N)n1 O=S(=O)([O-])OCC[*:1] Cc1ncc(C[n+]2csc(c2C)[*:1])c(N)n1
Cc1ncc(C[n+]2csc(CCOS(=O)(=O)[O-])c2C)c(N)n1 O=S(=O)([O-])O[*:1] Cc1ncc(C[n+]2csc(CC[*:1])c2C)c(N)n1
Cc1ncc(C[n+]2csc(CCOS(=O)(=O)[O-])c2C)c(N)n1 O=S(=O)([O-])OC[*:1] Cc1ncc(C[n+]2csc(C[*:1])c2C)c(N)n1
Cc1ncc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ncc(C[NH2+][C@@H]2CCC[C@@H](C2)S(C)(=O)=O)n1[*:1]
Cc1ncc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)n1-c1ccccc1 CS(=O)(=O)[*:1] Cc1ncc(C[NH2+][C@@H]2CCC[C@H](C2)[*:1])n1-c1ccccc1
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3cccs3)CC2)c(C)c1 O=C(/C=C/c1cccs1)O[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3cccs3)CC2)c(C)c1 c1csc(c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C=C[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3cccs3)CC2)c(C)c1 C(=C[*:1])c1cccs1 Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)COC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3cccs3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(/C=C/c1cccs1)OCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)n1c(N)nnc1SCc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](C(=O)Nc1sc2CCCCc2c1C#N)n1c(N)nnc1SC[*:1]
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)n1c(N)nnc1SCc1ccccc1Cl Clc1ccccc1CS[*:1] C[C@@H](C(=O)Nc1sc2CCCCc2c1C#N)n1c(N)nnc1[*:1]
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)n1c(N)nnc1SCc1ccccc1Cl Clc1ccccc1C[*:1] C[C@@H](C(=O)Nc1sc2CCCCc2c1C#N)n1c(N)nnc1S[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)N[C@H]1CCCc2ccccc21 CC(C)C[*:1] [NH3+]C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)N[C@H]1CCCc2ccccc21 CC(C)[*:1] [NH3+]C[C@H](C[*:1])C(=O)N[C@H]1CCCc2ccccc21
CC(C)(C)OC[C@H](O)Cn1c(C2CCCCC2)nc2ccccc21 CC(C)(C)O[*:1] O[C@H](Cn1c(nc2ccccc21)C1CCCCC1)C[*:1]
CC(C)(C)OC[C@H](O)Cn1c(C2CCCCC2)nc2ccccc21 C1CCC(CC1)[*:1] CC(C)(C)OC[C@H](O)Cn1c(nc2ccccc21)[*:1]
CC(C)(C)OC[C@H](O)Cn1c(C2CCCCC2)nc2ccccc21 CC(C)(C)[*:1] O[C@@H](CO[*:1])Cn1c(nc2ccccc21)C1CCCCC1
CC(C)(C)OC[C@H](O)Cn1c(C2CCCCC2)nc2ccccc21 CC(C)(C)OC[*:1] O[C@H](Cn1c(nc2ccccc21)C1CCCCC1)[*:1]
C[C@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1nn2c(N[C@H](C[C@H]2C(F)(F)F)c2ccco2)c1Cl)[*:1]
C[C@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)c1ccccc1 c1coc(c1)[*:1] C[C@H](NC(=O)c1nn2c(N[C@@H](C[C@H]2C(F)(F)F)[*:1])c1Cl)c1ccccc1
C[C@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] C[C@H](NC(=O)c1nn2c(N[C@H](C[C@@H]2[*:1])c2ccco2)c1Cl)c1ccccc1
C[C@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])c1nn2c(N[C@H](C[C@H]2C(F)(F)F)c2ccco2)c1Cl
C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@@H](OC(=O)c1ccc(cc1)S(C)(=O)=O)c1nc2ccccc2n1[*:1]
C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2n1C(F)F CS(=O)(=O)[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])c1nc2ccccc2n1C(F)F
CCC[C@H](NC(=O)c1ccc(F)c(OC)c1)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1ccc(F)c(c1)OC)[*:1]
CCC[C@H](NC(=O)c1ccc(F)c(OC)c1)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1ccc(F)c(c1)OC)[*:1]
C[C@@H]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C[C@@H]1O C1CCC(C1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1ccc2c(c1)[nH]c(=O)n2[*:1]
O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccccc1[N-]S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nc2cc3OCOc3cc2s1)c1ccccc1[N-]S(=O)(=O)[*:1]
C[C@@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)[*:1]
C[C@@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)N[*:1]
NC(=O)c1ccc(NC(=O)CSc2ncccn2)cc1 c1cnc(nc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)CS[*:1]
NC(=O)c1ccc(NC(=O)CSc2ncccn2)cc1 NC(=O)[*:1] O=C(CSc1ncccn1)Nc1ccc(cc1)[*:1]
COc1c(C)cc(S(=O)(=O)NCC[C@@H](O)c2cccs2)cc1C c1csc(c1)[*:1] COc1c(C)cc(cc1C)S(=O)(=O)NCC[C@@H](O)[*:1]
[NH3+][C@@H]1CCCCC[C@H]1C(=O)Nc1cncc(C(=O)[O-])c1 O=C([O-])[*:1] [NH3+][C@@H]1CCCCC[C@H]1C(=O)Nc1cncc(c1)[*:1]
CCOC(=O)c1cc(C(=O)Nc2nc(C)cs2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)c1cc(cc(c1)[*:1])C(=O)Nc1nc(C)cs1
CCOC(=O)c1cc(C(=O)Nc2nc(C)cs2)cc([N+](=O)[O-])c1 CCOC(=O)[*:1] Cc1csc(n1)NC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CCOC(=O)c1cc(C(=O)Nc2nc(C)cs2)cc([N+](=O)[O-])c1 Cc1csc(n1)[*:1] CCOC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(CSc2nc3ncc4c(n3n2)CC(C)(C)CC4=O)cc1 Cc1ccc(cc1)[*:1] CC1(C)CC(=O)c2cnc3nc(nn3c2C1)SC[*:1]
Cc1ccc(CSc2nc3ncc4c(n3n2)CC(C)(C)CC4=O)cc1 Cc1ccc(cc1)C[*:1] CC1(C)CC(=O)c2cnc3nc(nn3c2C1)S[*:1]
CN(c1cccnn1)C1CC[NH+](Cc2ccc(C#N)o2)CC1 c1cnnc(c1)[*:1] CN(C1CC[NH+](CC1)Cc1ccc(C#N)o1)[*:1]
CN(c1cccnn1)C1CC[NH+](Cc2ccc(C#N)o2)CC1 N#Cc1ccc(o1)[*:1] CN(c1cccnn1)C1CC[NH+](CC1)C[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CC[C@@H](C)[C@H](O)C1 CC(C)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)[C@H](NC(=O)c1ccccc1F)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CC[C@@H](C)[C@H](O)C1 Fc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CC[C@@H](C)[C@H](O)C1
CC(C)Oc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 NS(=O)(=O)[*:1] CC(C)Oc1ccc(cc1)C(=O)NCc1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 CC(C)[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 CC(C)O[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)CSc1nc2ccccc2s1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)CSc1nc2ccccc2s1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)CCn2cc(C(=O)[O-])cn2)C1 O=C([O-])[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CCn1cc(cn1)[*:1]
COc1cc([C@@H]2CC(O)=Nc3c2cnn3C)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(O)=Nc2c1cnn2C
COc1cc([C@@H]2CC(O)=Nc3c2cnn3C)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])[C@@H]1CC(O)=Nc2c1cnn2C
O=C([O-])[C@@]1(Nc2ccc(Cl)c(Br)c2)CCCOCC1 O=C([O-])[*:1] Clc1ccc(cc1Br)N[C@]1(CCCOCC1)[*:1]
CCc1ccc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)o1 CCc1ccc(o1)[*:1] CN1CCN(CC1)C(=O)CC1CC[NH+](CC1)C[*:1]
CCc1ccc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)o1 CCc1ccc(C[*:1])o1 CN1CCN(CC1)C(=O)CC1CC[NH+](CC1)[*:1]
CCCc1ccc([C@]2(O)CCc3ccc(OC)cc32)cc1 CCC[*:1] COc1ccc2CC[C@@](O)(c3ccc(cc3)[*:1])c2c1
CCOc1ccc(NC(=O)C(C#N)=C2CCCC2)cc1 CCO[*:1] N#CC(C(=O)Nc1ccc(cc1)[*:1])=C1CCCC1
CC(C)(C)OC(=O)Nc1ccc(Cl)cn1 CC(C)(C)[*:1] O=C(Nc1ccc(Cl)cn1)O[*:1]
C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(F)cc1 C1CN(CCO1)[*:1] C[C@@H]([NH2+]CC1(CCCCC1)[*:1])C(=O)Nc1ccc(F)cc1
C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]([NH2+]CC1(CCCCC1)N1CCOCC1)C(=O)N[*:1]
O[C@](Cn1cncn1)(c1ccc(F)cc1)c1ccccn1 c1ccc(nc1)[*:1] O[C@](Cn1cncn1)(c1ccc(F)cc1)[*:1]
O[C@](Cn1cncn1)(c1ccc(F)cc1)c1ccccn1 c1ncn(C[*:1])n1 O[C@](c1ccc(F)cc1)(c1ccccn1)[*:1]
O[C@](Cn1cncn1)(c1ccc(F)cc1)c1ccccn1 c1ncn(n1)[*:1] O[C@](C[*:1])(c1ccc(F)cc1)c1ccccn1
O[C@](Cn1cncn1)(c1ccc(F)cc1)c1ccccn1 Fc1ccc(cc1)[*:1] O[C@](Cn1cncn1)(c1ccccn1)[*:1]
COc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1C[C@H](C)Cn2c1nc1c2c(=O)n(CC[*:1])c(=O)n1C
COc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)N1C[C@H](C)Cn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
COc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 COc1cccc(c1)[*:1] C[C@H]1CN(c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1)[*:1]
COc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 c1ccc(cc1)CC[*:1] COc1cccc(c1)N1C[C@H](C)Cn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
CCOc1ccc2nc(NC(CC)CC)sc2c1 CCO[*:1] CCC(CC)Nc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(NC(CC)CC)sc2c1 CCC(CC)[*:1] CCOc1ccc2nc(N[*:1])sc2c1
CCOc1ccc2nc(NC(CC)CC)sc2c1 CCC(CC)N[*:1] CCOc1ccc2nc(sc2c1)[*:1]
CCc1ccc([C@H](C)NC(=S)Nc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@H](C)NC(=S)N[*:1]
Cc1cc(C)cc(NS(=O)(=O)c2ccc(CC#N)cc2)c1 N#CC[*:1] Cc1cc(C)cc(c1)NS(=O)(=O)c1ccc(cc1)[*:1]
COc1ccccc1/C=C/c1nn2c(Cc3ccc(OC)c(OC)c3)nnc2s1 COc1ccccc1[*:1] COc1ccc(cc1OC)Cc1nnc2sc(C=C[*:1])nn12
COC(=O)c1cc(N)cn1C[C@@H]1C[C@H]2CC[C@@H]1C2 COC(=O)[*:1] Nc1cc(n(c1)C[C@@H]1C[C@H]2CC[C@@H]1C2)[*:1]
COc1ccc(C(=O)NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 CC(C)C[*:1] COc1ccc(cc1)C(=O)NNC(=O)[C@H](C)c1ccc(cc1)[*:1]
COc1ccc(C(=O)NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)NNC(=O)[C@H](C)c1ccc(cc1)C[*:1]
COc1ccc(C(=O)NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 COc1ccc(cc1)[*:1] CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NNC(=O)[*:1]
C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] C[S@@](=O)c1ccc(cc1)C[NH2+][C@@H]1CCCN(C1)[*:1]
C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1 C[S@@](=O)[*:1] c1ccc(cc1)N1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
CCC[NH2+][C@H](C(C)C)C(C)(C)[NH+](C)C CCC[*:1] CC(C)[C@@H]([NH2+][*:1])C(C)(C)[NH+](C)C
CCC[NH2+][C@H](C(C)C)C(C)(C)[NH+](C)C CC(C)[*:1] CCC[NH2+][C@H](C(C)(C)[NH+](C)C)[*:1]
Cn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3Cc2c(Cl)cccc2Cl)n(C)c1=O Clc1cccc(Cl)c1[*:1] Cn1c(=O)c2c(nc3N(C[*:1])N=C(Cn32)C(C)(C)C)n(C)c1=O
Cn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3Cc2c(Cl)cccc2Cl)n(C)c1=O CC(C)(C)[*:1] Cn1c(=O)c2c(nc3N(Cc4c(Cl)cccc4Cl)N=C(Cn32)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3Cc2c(Cl)cccc2Cl)n(C)c1=O Clc1cccc(Cl)c1C[*:1] Cn1c(=O)c2c(nc3N(N=C(Cn32)C(C)(C)C)[*:1])n(C)c1=O
COc1ccc2ccn(CCCOc3ccc([N+](=O)[O-])cc3)c(=O)c2c1 O=[N+]([O-])[*:1] COc1ccc2ccn(CCCOc3ccc(cc3)[*:1])c(=O)c2c1
COc1cccc(NC(=O)NCCc2coc(-c3ccccc3)n2)c1 COc1cccc(c1)[*:1] O=C(NCCc1coc(n1)-c1ccccc1)N[*:1]
COc1cccc(NC(=O)NCCc2coc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)NCCc1coc(n1)[*:1]
O=C(Nc1nc2c(s1)CCCC2)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1nc2CCCCc2s1)c1cc(=O)[nH]c2ccc(cc12)[*:1]
O=C(Nc1nc2c(s1)CCCC2)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 C1CCc2sc(nc2C1)[*:1] O=C(N[*:1])c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCOCC1
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2F)C1 CC(C)(C)C[*:1] O=C([C@H]1CCCN1C(=O)[*:1])N1CCO[C@H](C1)c1ccccc1F
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2F)C1 Fc1ccccc1[*:1] CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](C1)[*:1]
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2F)C1 CC(C)(C)[*:1] O=C([C@H]1CCCN1C(=O)C[*:1])N1CCO[C@H](C1)c1ccccc1F
Cc1cccc2cc3c(nc12)N(C(=O)Nc1ccccc1)CC3 c1ccc(cc1)[*:1] Cc1cccc2cc3CCN(C(=O)N[*:1])c3nc12
COc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCO)CC(=O)N32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](N2C(=O)CN1CCO)[*:1]
COc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCO)CC(=O)N32)c(OC)c1 OCC[*:1] COc1ccc(c(c1)OC)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c2C)n1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(CC(=O)N[*:1])c1C
Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c2C)n1 Cc1cc(C)nc(n1)[*:1] Cc1nn(c(C)c1CC(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c2C)n1 O=[N+]([O-])[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(CC(=O)Nc2ccc(cc2)[*:1])c1C
CC(C)N(CC1CC[NH2+]CC1)C(=O)c1cc(F)ccc1F CC(C)[*:1] O=C(c1cc(F)ccc1F)N(CC1CC[NH2+]CC1)[*:1]
CC[C@@H](NC(=O)c1cc(CN2CC[NH+](CC)CC2)on1)c1ccccn1 c1ccc(nc1)[*:1] CC[C@@H](NC(=O)c1cc(CN2CC[NH+](CC)CC2)on1)[*:1]
C[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1Sc1n[nH]c(=O)n1C Cn1c(n[nH]c1=O)[*:1] C[NH2+][C@@H]1c2cc(ccc2C[C@H]1S[*:1])OC
C[C@@H]1CC(c2ccccc2)=NN1c1ccc(S(=O)(=O)[O-])cc1 c1ccc(cc1)[*:1] C[C@@H]1CC(=NN1c1ccc(cc1)S(=O)(=O)[O-])[*:1]
C[C@@H]1CC(c2ccccc2)=NN1c1ccc(S(=O)(=O)[O-])cc1 O=S(=O)([O-])[*:1] C[C@@H]1CC(=NN1c1ccc(cc1)[*:1])c1ccccc1
CCCSc1nc2n(n1)[C@@H](c1ccccc1C(=O)[O-])C(C(=O)Nc1cccc(C)c1C)=C(C)N2 CCC[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccc(C)c1C)c1ccccc1C(=O)[O-])S[*:1]
CCCSc1nc2n(n1)[C@@H](c1ccccc1C(=O)[O-])C(C(=O)Nc1cccc(C)c1C)=C(C)N2 CCCS[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccc(C)c1C)c1ccccc1C(=O)[O-])[*:1]
CCCSc1nc2n(n1)[C@@H](c1ccccc1C(=O)[O-])C(C(=O)Nc1cccc(C)c1C)=C(C)N2 O=C([O-])c1ccccc1[*:1] CCCSc1nc2NC(C)=C(C(=O)Nc3cccc(C)c3C)[C@H](n2n1)[*:1]
CCCSc1nc2n(n1)[C@@H](c1ccccc1C(=O)[O-])C(C(=O)Nc1cccc(C)c1C)=C(C)N2 O=C([O-])[*:1] CCCSc1nc2NC(C)=C(C(=O)Nc3cccc(C)c3C)[C@H](c3ccccc3[*:1])n2n1
CCCSc1nc2n(n1)[C@@H](c1ccccc1C(=O)[O-])C(C(=O)Nc1cccc(C)c1C)=C(C)N2 Cc1cccc(NC(=O)[*:1])c1C CCCSc1nc2NC(C)=C([C@H](c3ccccc3C(=O)[O-])n2n1)[*:1]
CCCSc1nc2n(n1)[C@@H](c1ccccc1C(=O)[O-])C(C(=O)Nc1cccc(C)c1C)=C(C)N2 Cc1cccc(c1C)[*:1] CCCSc1nc2NC(C)=C(C(=O)N[*:1])[C@H](c3ccccc3C(=O)[O-])n2n1
Cc1cc([N+](=O)[O-])cnc1Nc1ccc2c(c1)CCC(=O)N2C O=[N+]([O-])[*:1] Cc1cc(cnc1Nc1ccc2c(c1)CCC(=O)N2C)[*:1]
O=C(CCc1c[nH]c2ccccc12)Nn1cnc2c(cnn2-c2ccccc2)c1=O c1ccc2c(c[nH]c2c1)[*:1] O=C(CC[*:1])Nn1cnc2c(cnn2-c2ccccc2)c1=O
O=C(CCc1c[nH]c2ccccc12)Nn1cnc2c(cnn2-c2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(CCc1c[nH]c2ccccc12)Nn1cnc2c(cnn2[*:1])c1=O
O=C(CCc1c[nH]c2ccccc12)Nn1cnc2c(cnn2-c2ccccc2)c1=O c1ccc2c(c[nH]c2c1)C[*:1] O=C(C[*:1])Nn1cnc2c(cnn2-c2ccccc2)c1=O
CCc1cnc(CCNC(=O)c2sc3ncn(C)c(=O)c3c2C)s1 CCc1cnc(C[*:1])s1 Cc1c(sc2ncn(C)c(=O)c12)C(=O)NC[*:1]
CCc1cnc(CCNC(=O)c2sc3ncn(C)c(=O)c3c2C)s1 CCc1cnc(s1)[*:1] Cc1c(sc2ncn(C)c(=O)c12)C(=O)NCC[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)/C=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]1[C@@H](CCN1S(=O)(=O)C=C[*:1])C(=O)[O-]
CCNC(=O)c1ccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)N1CC[NH+](CC1)CC1CCCCC1)[*:1]
CCNC(=O)c1ccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c(C)c1 C1CCC(CC1)[*:1] CCNC(=O)c1ccc(NC(=O)N2CC[NH+](CC2)C[*:1])c(C)c1
CCNC(=O)c1ccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c(C)c1 C1CCC(CC1)C[*:1] CCNC(=O)c1ccc(NC(=O)N2CC[NH+](CC2)[*:1])c(C)c1
O=C(NCc1ccccc1OCC1CC1)c1cc2cccnn2n1 C1CC1[*:1] O=C(NCc1ccccc1OC[*:1])c1cc2cccnn2n1
O=C(NCc1ccccc1OCC1CC1)c1cc2cccnn2n1 C1CC1CO[*:1] O=C(NCc1ccccc1[*:1])c1cc2cccnn2n1
O=C(NCc1ccccc1OCC1CC1)c1cc2cccnn2n1 C1CC1C[*:1] O=C(NCc1ccccc1O[*:1])c1cc2cccnn2n1
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccccc1C CCS(=O)(=O)[*:1] Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccccc1C CCS(=O)(=O)C[*:1] Cc1ccccc1[C@@H](C)[NH2+][C@H](C)[*:1]
CCNC(=O)c1ccc(N[C@@H]2C[C@H](OCC)C23CCCC3)nc1 CCNC(=O)[*:1] CCO[C@H]1C[C@@H](Nc2ccc(cn2)[*:1])C12CCCC2
CCNC(=O)c1ccc(N[C@@H]2C[C@H](OCC)C23CCCC3)nc1 CCO[*:1] CCNC(=O)c1ccc(nc1)N[C@@H]1C[C@H](C12CCCC2)[*:1]
CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12 FC(F)(F)[*:1] CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(=O)[C@H]12)c1cc(ccc1Cl)[*:1]
CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12 CC(C)[*:1] O=C1[C@@H]2[C@@H](N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1cc(ccc1Cl)C(F)(F)F)[*:1]
CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12 FC(F)(F)c1ccc(Cl)c(c1)[*:1] CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
Cc1cc(C(=O)OCC[NH+]2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c2ccccc2n1 Cc1cc(c2ccccc2n1)[*:1] O=C(OCC[NH+]1CCN(CC1)C1=NS(=O)(=O)c2ccccc21)[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2c(C)ccc(C)c21 Clc1ccc(cc1)[*:1] CC(=O)C[C@]1(O)C(=O)N(CCO[*:1])c2c(C)ccc(C)c21
CC(=O)C[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2c(C)ccc(C)c21 Clc1ccc(cc1)OC[*:1] CC(=O)C[C@]1(O)C(=O)N(C[*:1])c2c(C)ccc(C)c21
CC(=O)C[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2c(C)ccc(C)c21 CC(=O)[*:1] Cc1ccc(C)c2c1N(CCOc1ccc(Cl)cc1)C(=O)[C@@]2(O)C[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2c(C)ccc(C)c21 CC(=O)C[*:1] Cc1ccc(C)c2c1N(CCOc1ccc(Cl)cc1)C(=O)[C@]2(O)[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2c(C)ccc(C)c21 Clc1ccc(cc1)O[*:1] CC(=O)C[C@]1(O)C(=O)N(CC[*:1])c2c(C)ccc(C)c21
CCO[C@@H](CC)C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CCO[C@@H](CC)C(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
CCO[C@@H](CC)C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 CCO[*:1] CC[C@@H](C(=O)N1CCN(CC1)[C@H](C)C(=O)Nc1cccc(F)c1)[*:1]
Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(C)CCCc1cnn(C)c1 Cn1cc(cn1)C[*:1] Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(C)CC[*:1]
Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(C)CCCc1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(C)CCC[*:1]
Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(C)CCCc1cnn(C)c1 Cn1cc(cn1)CC[*:1] Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(C)C[*:1]
COc1ncnc2c1CN(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)CC2 FC(F)(F)[*:1] COc1ncnc2CCN(Cc21)C(=O)N[C@H](C[*:1])c1ccc(F)cc1
COc1ncnc2c1CN(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)CC2 Fc1ccc(cc1)[*:1] COc1ncnc2CCN(Cc21)C(=O)N[C@H](CC(F)(F)F)[*:1]
COc1ncnc2c1CN(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)CC2 FC(F)(F)C[*:1] COc1ncnc2CCN(Cc21)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC[C@@H](C)NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 CC[C@@H](C)NC(=O)N[*:1] FC(F)(F)c1ccc(nc1)N1CCC(CC1)[*:1]
CC[C@@H](C)NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] CC[C@@H](C)NC(=O)NC1CCN(CC1)c1ccc(cn1)[*:1]
CC[C@@H](C)NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 CC[C@@H](C)[*:1] O=C(NC1CCN(CC1)c1ccc(cn1)C(F)(F)F)N[*:1]
NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n[nH]1 NC(=O)[*:1] O=C([C@@H]1CC=CCC1)N1CCC[C@H](C1)c1cc([nH]n1)[*:1]
COc1cccc(CN(C)C(=O)c2ccnc(OC3CCC3)c2)c1 C1CC(C1)[*:1] COc1cccc(c1)CN(C)C(=O)c1ccnc(c1)O[*:1]
COc1cccc(CN(C)C(=O)c2ccnc(OC3CCC3)c2)c1 COc1cccc(c1)[*:1] CN(C[*:1])C(=O)c1ccnc(c1)OC1CCC1
COc1cccc(CN(C)C(=O)c2ccnc(OC3CCC3)c2)c1 C1CC(C1)O[*:1] COc1cccc(c1)CN(C)C(=O)c1ccnc(c1)[*:1]
Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)on1 Cc1cc(on1)[*:1] O=C(N[*:1])[C@H]1CCCN1S(=O)(=O)c1cccs1
Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)on1 c1csc(c1)[*:1] Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)[*:1])on1
Cc1cccc2c(NC[C@@H](C)C[C@H](C)O)c(C#N)cnc12 C[C@H](O)C[*:1] Cc1cccc2c(NC[C@@H](C)[*:1])c(C#N)cnc12
Cc1cccc2c(NC[C@@H](C)C[C@H](C)O)c(C#N)cnc12 C[C@H](O)[*:1] Cc1cccc2c(NC[C@@H](C)C[*:1])c(C#N)cnc12
Cc1cccc(C(=O)Nc2cccc(-n3cnnc3)c2)c1C c1nncn1[*:1] Cc1cccc(C(=O)Nc2cccc(c2)[*:1])c1C
C[C@H]1CCC[C@H](NC(=O)[C@@H](C)Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)[C@@H]1C FC(F)(F)[*:1] C[C@H]1CCC[C@H](NC(=O)[C@@H](C)Sc2nnc3c(Cl)cc(cn23)[*:1])[C@@H]1C
O=[N+]([O-])c1cc(/C([O-])=N/S(=O)(=O)/C=C/c2ccccc2)cs1 O=[N+]([O-])[*:1] O=S(=O)(/C=C/c1ccccc1)/N=C(\[O-])c1csc(c1)[*:1]
O=[N+]([O-])c1cc(/C([O-])=N/S(=O)(=O)/C=C/c2ccccc2)cs1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(cs1)/C([O-])=N/S(=O)(=O)C=C[*:1]
COCc1cccc(CNC(=O)C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] COCc1cccc(c1)CNC(=O)[*:1]
COCc1cccc(CNC(=O)C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] COCc1cccc(c1)CNC(=O)C[*:1]
COCc1cccc(CNC(=O)C[C@H]2CCCO2)c1 COC[*:1] O=C(C[C@H]1CCCO1)NCc1cccc(c1)[*:1]
Cc1ccccc1NCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] Cc1ccccc1NCN1C(=O)SC(=C[*:1])C1=O
Cc1ccccc1NCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O Cc1ccccc1[*:1] O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CN[*:1]
Cc1ccccc1NCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O Cc1ccccc1N[*:1] O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1C[*:1]
O=C(NC1CCCCC1)N1CCC(c2ncc3ccccn23)CC1 C1CCC(CC1)[*:1] O=C(N[*:1])N1CCC(CC1)c1ncc2ccccn12
Cn1c(SCC(=O)NC2CCCCCCC2)nnc1-c1ccc(F)cc1 C1CCCC(CCC1)[*:1] Cn1c(nnc1-c1ccc(F)cc1)SCC(=O)N[*:1]
Cn1c(SCC(=O)NC2CCCCCCC2)nnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)NC1CCCCCCC1
COCCNC(=O)c1cn2c(n1)CCCC2 COC[*:1] O=C(NC[*:1])c1cn2CCCCc2n1
COCCNC(=O)c1cn2c(n1)CCCC2 COCC[*:1] O=C(N[*:1])c1cn2CCCCc2n1
COC(=O)[C@]1([NH2+]C(C)C)CCC[C@@H](Sc2nncn2C)C1 COC(=O)[*:1] CC(C)[NH2+][C@@]1(CCC[C@H](C1)Sc1nncn1C)[*:1]
COC(=O)[C@]1([NH2+]C(C)C)CCC[C@@H](Sc2nncn2C)C1 Cn1cnnc1S[*:1] COC(=O)[C@@]1(CCC[C@@H](C1)[*:1])[NH2+]C(C)C
COC(=O)[C@]1([NH2+]C(C)C)CCC[C@@H](Sc2nncn2C)C1 Cn1cnnc1[*:1] COC(=O)[C@@]1(CCC[C@H](C1)S[*:1])[NH2+]C(C)C
COC(=O)[C@]1([NH2+]C(C)C)CCC[C@@H](Sc2nncn2C)C1 CC(C)[*:1] COC(=O)[C@@]1(CCC[C@H](C1)Sc1nncn1C)[NH2+][*:1]
CC[NH2+][C@H](Cc1cccs1)[C@H]1C[NH+]2CCN1CC2 c1csc(c1)[*:1] CC[NH2+][C@H](C[*:1])[C@H]1C[NH+]2CCN1CC2
CC[NH2+][C@H](Cc1cccs1)[C@H]1C[NH+]2CCN1CC2 c1csc(c1)C[*:1] CC[NH2+][C@H]([C@H]1C[NH+]2CCN1CC2)[*:1]
Cn1cnnc1CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 Cn1cnnc1[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCCC[C@H]1[NH2+]CC[*:1]
CC(=O)N1CCc2cc(C(=O)N[C@H](C)c3ccc(NC(=O)c4ccc(F)cc4)cc3)ccc21 O=C(N[*:1])c1ccc(F)cc1 CC(=O)N1CCc2cc(ccc21)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CC(=O)N1CCc2cc(C(=O)N[C@H](C)c3ccc(NC(=O)c4ccc(F)cc4)cc3)ccc21 Fc1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N[C@H](C)c1ccc(cc1)NC(=O)[*:1]
OC[C@H](Nc1cccc(C(F)(F)F)n1)c1ccccc1 FC(F)(F)[*:1] OC[C@H](Nc1cccc(n1)[*:1])c1ccccc1
OC[C@H](Nc1cccc(C(F)(F)F)n1)c1ccccc1 c1ccc(cc1)[*:1] OC[C@H](Nc1cccc(n1)C(F)(F)F)[*:1]
COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cc(Cl)cc(Cl)c1 Fc1ccc(cc1)[*:1] COc1cc(=O)n(nc1C(=O)Nc1cc(Cl)cc(Cl)c1)[*:1]
COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] COc1cc(=O)n(nc1C(=O)N[*:1])-c1ccc(F)cc1
CCc1c(C)nc2n(c1=O)C[C@H](C(=O)N([C@@H](C)CC)[C@H](C)CC)CS2 CC[C@H](C)[*:1] CCc1c(C)nc2SC[C@H](Cn2c1=O)C(=O)N([C@H](C)CC)[*:1]
O=C(CCOc1ccccc1)NCc1nnc2n1CCCCC2 c1ccc(cc1)[*:1] O=C(CCO[*:1])NCc1nnc2CCCCCn21
O=C(CCOc1ccccc1)NCc1nnc2n1CCCCC2 c1ccc(cc1)O[*:1] O=C(CC[*:1])NCc1nnc2CCCCCn21
O=C(c1sc2cc(Cl)ccc2c1Cl)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)C[*:1] O=C(c1sc2cc(Cl)ccc2c1Cl)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(c1sc2cc(Cl)ccc2c1Cl)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] O=C(c1sc2cc(Cl)ccc2c1Cl)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1nc(C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)nn1-c1ccccc1C(C)C CC(C)[*:1] Cc1nc(nn1-c1ccccc1[*:1])C(=O)Nc1ccc(cc1)C1CCC(=O)NN=1
Cc1nc(C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)nn1-c1ccccc1C(C)C CC(C)c1ccccc1[*:1] Cc1nc(nn1[*:1])C(=O)Nc1ccc(cc1)C1CCC(=O)NN=1
C/C(=C/c1ccc(SC#N)cc1)[N+](=O)[O-] N#CS[*:1] C/C(=C/c1ccc(cc1)[*:1])[N+](=O)[O-]
C/C(=C/c1ccc(SC#N)cc1)[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=Cc1ccc(cc1)SC#N)[*:1]
CCc1ccc(-c2nnnn2[C@@H](C)CC(=O)[O-])o1 O=C([O-])C[*:1] CCc1ccc(o1)-c1nnnn1[C@@H](C)[*:1]
CCc1ccc(-c2nnnn2[C@@H](C)CC(=O)[O-])o1 O=C([O-])[*:1] CCc1ccc(o1)-c1nnnn1[C@@H](C)C[*:1]
CCCC(=O)Nc1ccc(C)cc1N CCC[*:1] Cc1ccc(NC(=O)[*:1])c(N)c1
Cc1ccc(C(CO)(CO)CCSc2ccccc2)cc1 Cc1ccc(cc1)[*:1] OCC(CO)(CCSc1ccccc1)[*:1]
Cc1ccc(C(CO)(CO)CCSc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(CO)(CO)CCS[*:1]
Cc1ccc(C(CO)(CO)CCSc2ccccc2)cc1 c1ccc(cc1)S[*:1] Cc1ccc(cc1)C(CO)(CO)CC[*:1]
Cc1cc([C@H]2C[C@@H](C(=O)NC3CC3)CN(C(=O)NC(C)C)C2)ccc1F Cc1cc(ccc1F)[*:1] CC(C)NC(=O)N1C[C@@H](C[C@@H](C1)[*:1])C(=O)NC1CC1
Cc1cc([C@H]2C[C@@H](C(=O)NC3CC3)CN(C(=O)NC(C)C)C2)ccc1F O=C(NC1CC1)[*:1] Cc1cc(ccc1F)[C@H]1C[C@@H](CN(C1)C(=O)NC(C)C)[*:1]
Cc1cc([C@H]2C[C@@H](C(=O)NC3CC3)CN(C(=O)NC(C)C)C2)ccc1F C1CC1[*:1] Cc1cc(ccc1F)[C@H]1C[C@H](CN(C1)C(=O)NC(C)C)C(=O)N[*:1]
Cc1cc([C@H]2C[C@@H](C(=O)NC3CC3)CN(C(=O)NC(C)C)C2)ccc1F CC(C)[*:1] Cc1cc(ccc1F)[C@H]1C[C@H](CN(C1)C(=O)N[*:1])C(=O)NC1CC1
Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1N[C@@H]2c1ccc(C#N)cc1 Cc1ccccc1[*:1] Cn1c(=O)c2c(n3-c4ccccc4N[C@H](c4ccc(C#N)cc4)c3c2n(C)c1=O)[*:1]
Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1N[C@@H]2c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2[C@@H](Nc3ccccc3-n12)[*:1]
CCC(NC(=O)Nc1ncccc1C)(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] CCC(NC(=O)Nc1ncccc1C)(C(F)(F)F)[*:1]
CCC(NC(=O)Nc1ncccc1C)(C(F)(F)F)C(F)(F)F Cc1cccnc1[*:1] CCC(NC(=O)N[*:1])(C(F)(F)F)C(F)(F)F
Cc1ncc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ncc(CN2CC[C@@H](C2)S(=O)(=O)N2CCCC2)n1[*:1]
Cc1ncc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)n1-c1ccccc1 O=S(=O)(N1CCCC1)[*:1] Cc1ncc(CN2CC[C@H](C2)[*:1])n1-c1ccccc1
Cc1ccc([C@@]2(O)c3ccccc3C(=O)N2C(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(c(C)c1)[C@@]1(O)c2ccccc2C(=O)N1[*:1]
Cc1ccc(-n2nc(C)c(NC(=O)CN(C)CCC#N)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)CN(C)CCC#N)[*:1]
Cc1ccc(-n2nc(C)c(NC(=O)CN(C)CCC#N)c2C)cc1 CN(CCC#N)C[*:1] Cc1ccc(cc1)-n1nc(C)c(NC(=O)[*:1])c1C
Cc1ccc(-n2nc(C)c(NC(=O)CN(C)CCC#N)c2C)cc1 N#CCC[*:1] Cc1ccc(cc1)-n1nc(C)c(NC(=O)CN(C)[*:1])c1C
Cc1ccc(-n2nc(C)c(NC(=O)CN(C)CCC#N)c2C)cc1 N#CC[*:1] Cc1ccc(cc1)-n1nc(C)c(NC(=O)CN(C)C[*:1])c1C
Cc1ccc(-n2nc(C)c(NC(=O)CN(C)CCC#N)c2C)cc1 CN(CCC#N)[*:1] Cc1ccc(cc1)-n1nc(C)c(NC(=O)C[*:1])c1C
CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1ccn(C)n1 Cn1ccc(n1)[*:1] CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)[*:1]
CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1ccn(C)n1 c1ccc(cc1)[*:1] CC(=O)N1CC[C@H]([C@@H]2[C@H]1CCCCN2C(=O)c1ccn(C)n1)[*:1]
Cc1cc(C)n(-c2cncc(N3CCC(O)(C(F)(F)F)CC3)n2)n1 FC(F)(F)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)N1CCC(O)(CC1)[*:1]
Cc1cc(C)n(-c2cncc(N3CCC(O)(C(F)(F)F)CC3)n2)n1 Cc1cc(C)n(n1)[*:1] OC1(CCN(CC1)c1cncc(n1)[*:1])C(F)(F)F
CC(C)(C)[S@](=O)CCNC(=O)c1ccccc1-c1cncnc1 c1ncc(cn1)[*:1] CC(C)(C)[S@](=O)CCNC(=O)c1ccccc1[*:1]
CC(C)(C)[S@](=O)CCNC(=O)c1ccccc1-c1cncnc1 CC(C)(C)[*:1] O=C(NCC[S@@](=O)[*:1])c1ccccc1-c1cncnc1
Cc1nc(N2CCc3nnc(C(C)C)n3CC2)c2sccc2n1 CC(C)[*:1] Cc1nc(c2sccc2n1)N1CCc2nnc(n2CC1)[*:1]
C[C@@H](C(=O)N[C@@H]1CCSC1=O)n1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@@H]1CCSC1=O)n1nc(ccc1=O)[*:1]
Cc1ccccc1C(=O)Nc1cc2c(oc1=O)CC(C)(C)CC2=O Cc1ccccc1[*:1] CC1(C)CC(=O)c2cc(NC(=O)[*:1])c(=O)oc2C1
C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(cc1)NC(=O)[*:1]
C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 Fc1ccc(cc1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(cc1)NC(=O)C1CC1
C[C@H](O)Cn1c([C@H]2CCC[NH2+]2)nc2cc(C(F)(F)F)ccc21 FC(F)(F)[*:1] C[C@H](O)Cn1c(nc2cc(ccc21)[*:1])[C@H]1CCC[NH2+]1
C[C@H](O)Cn1c([C@H]2CCC[NH2+]2)nc2cc(C(F)(F)F)ccc21 C[C@H](O)C[*:1] FC(F)(F)c1ccc2c(c1)nc([C@H]1CCC[NH2+]1)n2[*:1]
C[C@H](O)Cn1c([C@H]2CCC[NH2+]2)nc2cc(C(F)(F)F)ccc21 C[C@H](O)[*:1] FC(F)(F)c1ccc2c(c1)nc([C@H]1CCC[NH2+]1)n2C[*:1]
C[C@H](NC(=O)c1cc2c(F)cccc2s1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](NC(=O)c1cc2c(F)cccc2s1)[*:1]
CCc1nc(CS(=O)(=O)CC(=O)N(c2ccccc2)C(C)C)no1 CC(C)[*:1] CCc1nc(CS(=O)(=O)CC(=O)N(c2ccccc2)[*:1])no1
CCc1nc(CS(=O)(=O)CC(=O)N(c2ccccc2)C(C)C)no1 CCc1nc(no1)[*:1] CC(C)N(C(=O)CS(=O)(=O)C[*:1])c1ccccc1
CCc1nc(CS(=O)(=O)CC(=O)N(c2ccccc2)C(C)C)no1 c1ccc(cc1)[*:1] CCc1nc(CS(=O)(=O)CC(=O)N(C(C)C)[*:1])no1
CCc1nc(CS(=O)(=O)CC(=O)N(c2ccccc2)C(C)C)no1 CCc1nc(C[*:1])no1 CC(C)N(C(=O)CS(=O)(=O)[*:1])c1ccccc1
CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccc(C)s3)c2)CC1 Cc1ccc(s1)[*:1] CC[NH+]1CCN(CC1)S(=O)(=O)c1cccc(c1)NC(=O)[*:1]
CC(C)n1c[nH+]cc1[C@@H](O)Cc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)n1c[nH+]cc1[C@@H](O)Cc1ccc(cc1)[*:1]
CC(C)n1c[nH+]cc1[C@@H](O)Cc1ccc(C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)C[C@H](O)c1c[nH+]cn1[*:1]
Cc1cc(=O)n2c3ccccc3n(Cc3ccccc3Cl)c2n1 Clc1ccccc1[*:1] Cc1cc(=O)n2c3ccccc3n(C[*:1])c2n1
CCC[NH2+][C@H]1CCCN(Cc2sccc2C)C1 CCC[*:1] Cc1ccsc1CN1CCC[C@@H](C1)[NH2+][*:1]
C/[NH+]=C(/NCCc1csc(C)n1)NCc1nccc2ccccc12 Cc1nc(cs1)CC[*:1] C/[NH+]=C(\NCc1nccc2ccccc12)N[*:1]
C/[NH+]=C(/NCCc1csc(C)n1)NCc1nccc2ccccc12 Cc1nc(cs1)[*:1] C/[NH+]=C(/NCC[*:1])NCc1nccc2ccccc12
C/[NH+]=C(/NCCc1csc(C)n1)NCc1nccc2ccccc12 Cc1nc(cs1)C[*:1] C/[NH+]=C(\NCc1nccc2ccccc12)NC[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1NS(C)(=O)=O CS(=O)(=O)N[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3csnn3)cc2)C1 c1snnc1[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CCCCCC2)C(=O)C1 CC(C)(C)[*:1] O=C(CN1CCN(CC1=O)C(=O)O[*:1])NC1CCCCCC1
CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CCCCCC2)C(=O)C1 C1CCCC(CC1)[*:1] CC(C)(C)OC(=O)N1CCN(CC(=O)N[*:1])C(=O)C1
CCCN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(F)cc1C CCC[*:1] Cc1cc(F)ccc1S(=O)(=O)N(CC(C)(C)C[NH3+])[*:1]
O=[S@](Cc1nn(-c2ccccc2)c2c1CCC2)C[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] O=[S@](Cc1nn(-c2ccccc2)c2CCCc12)C[*:1]
O=[S@](Cc1nn(-c2ccccc2)c2c1CCC2)C[C@@H]1CCCCO1 c1ccc(cc1)[*:1] O=[S@](Cc1nn(c2CCCc12)[*:1])C[C@@H]1CCCCO1
CNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(C1)C[*:1]
CNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 CNC(=O)NC(=O)C[*:1] O=C(O[*:1])[C@H]1CC(=O)N(CCc2ccccc2)C1
CNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] CNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(C1)[*:1]
CNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(CC[*:1])C1
CNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 CNC(=O)NC(=O)[*:1] O=C(OC[*:1])[C@H]1CC(=O)N(CCc2ccccc2)C1
CCc1cc(NC(=O)c2cccc(-c3n[nH]c(C)n3)c2)n(C)n1 Cc1nc(n[nH]1)[*:1] CCc1cc(NC(=O)c2cccc(c2)[*:1])n(C)n1
COc1cc(Cl)ccc1C(=O)N1CCN(c2ccc(C)cc2C)CC1 Cc1ccc(c(C)c1)[*:1] COc1cc(Cl)ccc1C(=O)N1CCN(CC1)[*:1]
CCc1onc(C)c1NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 c1csc(c1)C[*:1] CCc1onc(C)c1NC(=O)[C@H]1CCCN1C(=O)[*:1]
CCc1onc(C)c1NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 CCc1onc(C)c1[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)Cc1cccs1
CCc1onc(C)c1NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 c1csc(c1)[*:1] CCc1onc(C)c1NC(=O)[C@H]1CCCN1C(=O)C[*:1]
COc1cc(CN2CCOC[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OC CC(C)[*:1] COc1cc(CN2CCOC[C@@H]2C[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(CN2CCOC[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(CN2CCOC[C@@H]2CC(C)C)c(cc1OC)[*:1]
COc1cc(CN2CCOC[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OC CC(C)C[*:1] COc1cc(CN2CCOC[C@H]2[*:1])c(cc1OC)[N+](=O)[O-]
O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ccc2c(c1)OCO2 Fc1cccc(Cl)c1[*:1] O=C(COC(=O)C[*:1])Nc1ccc2OCOc2c1
Cn1ncc2c(NNC(=O)c3cccc([N+](=O)[O-])c3)ncnc21 O=[N+]([O-])[*:1] Cn1ncc2c(ncnc21)NNC(=O)c1cccc(c1)[*:1]
C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 Clc1ccc(Cl)c(c1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)Nc1ccc2OCCOc2c1
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1])c1ccco1
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)CC2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)CC2)cc1C O=C(N[*:1])c1ccco1 Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)CC2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](NC(=O)c1ccco1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)CC2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](C[*:1])NC(=O)c1ccco1
COC(=O)C1(NC(=O)c2ccc(C)cc2)CCCC1 COC(=O)[*:1] Cc1ccc(cc1)C(=O)NC1(CCCC1)[*:1]
Cc1noc(C)c1N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 Cc1noc(C)c1[*:1] CN(C(=O)CCc1cccc(c1)[N+](=O)[O-])[*:1]
Cc1noc(C)c1N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1noc(C)c1N(C)C(=O)CCc1cccc(c1)[*:1]
Cc1nn(-c2ccccc2)c(CN2CC[NH+](C(C)C)CC2)c1C#N CC(C)[*:1] Cc1nn(-c2ccccc2)c(CN2CC[NH+](CC2)[*:1])c1C#N
Cc1nn(-c2ccccc2)c(CN2CC[NH+](C(C)C)CC2)c1C#N c1ccc(cc1)[*:1] Cc1nn(c(CN2CC[NH+](CC2)C(C)C)c1C#N)[*:1]
Cc1cncc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cncc(c1)C(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1cncc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)C[*:1] Cc1cncc(c1)C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cncc(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 Cc1cncc(c1)[*:1] O=C(NCc1ccc(F)cc1)C1CCN(CC1)C(=O)[*:1]
O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)OCc1ccccc1 C1CC1[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)[*:1])OCc1ccccc1
O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)C1CC1)O[*:1]
O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)C1CC1)OC[*:1]
CCOc1ncc(C(=O)NCC[NH+]2CCC(OC)CC2)cc1Cl CCO[*:1] COC1CC[NH+](CCNC(=O)c2cnc(c(Cl)c2)[*:1])CC1
O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 Brc1ccc(cc1)[*:1] O=C(NC(=C[*:1])C(=O)N1CCOCC1)c1ccc(cc1)[N+](=O)[O-]
O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCOCC1)c1ccc(cc1)[*:1]
O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(/C(=C\c1ccc(Br)cc1)NC(=O)[*:1])N1CCOCC1
O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 O=C(N1CCOCC1)[*:1] O=C(N/C(=C/c1ccc(Br)cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@@H]2CCCC[C@@H]21 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])N1CCC[C@@H]2CCCC[C@@H]21
CO[C@](C#N)(c1ccccc1)C(F)(F)F FC(F)(F)[*:1] CO[C@](C#N)(c1ccccc1)[*:1]
COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 NC(=O)CO[*:1] COc1ccc(cc1)CN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(cc1)[*:1]
COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc2oc3C(=O)N(C[*:1])[C@@H](c4ccc(cc4)OCC(N)=O)c3c(=O)c2c1
COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 NC(=O)COc1ccc(cc1)[*:1] COc1ccc(cc1)CN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1[*:1]
COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 NC(=O)[*:1] COc1ccc(cc1)CN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(cc1)OC[*:1]
COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc2oc3C(=O)N([C@@H](c4ccc(cc4)OCC(N)=O)c3c(=O)c2c1)[*:1]
COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 NC(=O)C[*:1] COc1ccc(cc1)CN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(cc1)O[*:1]
CCC(CC)NC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 O=C(N[*:1])[C@@H]1CCCO1 CCC(CC)NC(=O)NCc1cccc(c1)[*:1]
CCC(CC)NC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 CCC(CC)[*:1] O=C(NCc1cccc(c1)NC(=O)[C@@H]1CCCO1)N[*:1]
CCOc1ccc(S(=O)(=O)N2CCCSCC2)cc1 CCO[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCCSCC1
O=[N+]([O-])c1ccc(OCc2ccc(OCC(F)(F)F)cc2)cc1 FC(F)(F)CO[*:1] O=[N+]([O-])c1ccc(cc1)OCc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(OCc2ccc(OCC(F)(F)F)cc2)cc1 O=[N+]([O-])[*:1] FC(F)(F)COc1ccc(cc1)COc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(OCc2ccc(OCC(F)(F)F)cc2)cc1 FC(F)(F)[*:1] O=[N+]([O-])c1ccc(cc1)OCc1ccc(cc1)OC[*:1]
O=[N+]([O-])c1ccc(OCc2ccc(OCC(F)(F)F)cc2)cc1 FC(F)(F)C[*:1] O=[N+]([O-])c1ccc(cc1)OCc1ccc(cc1)O[*:1]
C[C@@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc2[nH]c(=O)[nH]c2c1 FC(F)(F)[*:1] C[C@@H](NC[C@H](O)c1cccc(c1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CN(Cc1cccs1)C(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O c1csc(c1)C[*:1] CN(C(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O)[*:1]
CN(Cc1cccs1)C(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O c1csc(c1)[*:1] CN(C[*:1])C(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O
O=C1c2ccccc2N[C@@H](c2ccccc2)N1CCC[NH+]1CCOCC1 c1ccc(cc1)[*:1] O=C1c2ccccc2N[C@@H](N1CCC[NH+]1CCOCC1)[*:1]
CC[NH2+][C@@H](Cc1ccccn1)[C@@H]1CCOC2(CCC2)C1 c1ccc(nc1)[*:1] CC[NH2+][C@@H](C[*:1])[C@@H]1CCOC2(CCC2)C1
Cc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NCc1ccc(cc1)-c1nc2ncccc2o1
Cc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] c1cnc2nc(oc2c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NCc1ccc(cc1)[*:1]
CCn1c(C)cc(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc21 Clc1ccc(cc1)[*:1] CCn1c(C)cc(=O)c2cc(ccc21)C(=O)N[*:1]
[NH3+]CCOC[C@H]1CCN(C(=O)OCc2ccccc2)C1 c1ccc(cc1)[*:1] [NH3+]CCOC[C@H]1CCN(C1)C(=O)OC[*:1]
CC(C)(C)C[C@@H](CO)NC(=O)c1cccc(-n2cccc2)c1 CC(C)(C)C[*:1] O=C(N[C@H](CO)[*:1])c1cccc(c1)-n1cccc1
CC(C)(C)C[C@@H](CO)NC(=O)c1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] CC(C)(C)C[C@@H](CO)NC(=O)c1cccc(c1)[*:1]
CC(C)(C)C[C@@H](CO)NC(=O)c1cccc(-n2cccc2)c1 CC(C)(C)[*:1] O=C(N[C@H](CO)C[*:1])c1cccc(c1)-n1cccc1
Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C#N)c3)n2)cc1C N#Cc1cccc(c1)[*:1] Cc1ccc(cc1C)-c1ccc(=O)n(CC(=O)N[*:1])n1
Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C#N)c3)n2)cc1C Cc1ccc(cc1C)[*:1] N#Cc1cccc(c1)NC(=O)Cn1nc(ccc1=O)[*:1]
Cc1cc(NC(=O)[C@@H]2CCO[C@@H]2C)ccc1OC1CCOCC1 C1CC(CCO1)O[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@@H]1CCO[C@@H]1C
Cc1cc(NC(=O)[C@@H]2CCO[C@@H]2C)ccc1OC1CCOCC1 C1CC(CCO1)[*:1] Cc1cc(ccc1O[*:1])NC(=O)[C@@H]1CCO[C@@H]1C
CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1 Cc1cc(no1)[*:1] CCOc1cccc(c1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1 CCOc1cccc(c1)[*:1] Cc1cc(no1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1 CCO[*:1] Cc1cc(no1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(c1)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(cc1C(=O)Nc1cnn(c1)[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cnn(C(C)(C)C)c1 CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)Nc1cnn(c1)C(C)(C)C)[*:1]
O=C(Nc1nccs1)C1CCN(C(=O)Cc2ccccc2)CC1 c1csc(n1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)Cc1ccccc1
O=C(Nc1nccs1)C1CCN(C(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Nc1nccs1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1nccs1)C1CCN(C(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1nccs1)C1CCN(CC1)C(=O)C[*:1]
CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)ccc21 N#Cc1ccccc1[*:1] CCn1nnc2cc(ccc21)C(=O)O[C@@H](C)C(=O)N[*:1]
CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCc2ccccc2-n2cccn2)O1 c1cnn(c1)[*:1] CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCc2ccccc2[*:1])O1
CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCc2ccccc2-n2cccn2)O1 CN(C)C(=O)[*:1] O=C(NCc1ccccc1-n1cccn1)NC[C@H]1CC[C@@H](O1)[*:1]
Cc1nc(NC(=O)NCCc2csc(-c3ccccc3)n2)oc1C c1ccc(cc1)[*:1] Cc1nc(NC(=O)NCCc2csc(n2)[*:1])oc1C
Cc1nc(NC(=O)NCCc2csc(-c3ccccc3)n2)oc1C Cc1nc(oc1C)[*:1] O=C(NCCc1csc(n1)-c1ccccc1)N[*:1]
Cc1cc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)no1 Cc1cc(no1)[*:1] O=C(CSc1nnc(o1)[*:1])c1ccc(Br)cc1
Cc1cc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)no1 Brc1ccc(cc1)[*:1] Cc1cc(no1)-c1nnc(o1)SCC(=O)[*:1]
COc1ccc([C@H]2[C@H](C(=O)NCCc3ncnn3C)CCC(=O)N2C)cc1 Cn1ncnc1[*:1] COc1ccc(cc1)[C@H]1[C@@H](CCC(=O)N1C)C(=O)NCC[*:1]
COc1ccc([C@H]2[C@H](C(=O)NCCc3ncnn3C)CCC(=O)N2C)cc1 Cn1ncnc1CC[*:1] COc1ccc(cc1)[C@H]1[C@@H](CCC(=O)N1C)C(=O)N[*:1]
COc1ccc([C@H]2[C@H](C(=O)NCCc3ncnn3C)CCC(=O)N2C)cc1 Cn1ncnc1C[*:1] COc1ccc(cc1)[C@H]1[C@@H](CCC(=O)N1C)C(=O)NC[*:1]
COc1ccc([C@H]2[C@H](C(=O)NCCc3ncnn3C)CCC(=O)N2C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)CC[C@@H](C(=O)NCCc2ncnn2C)[C@@H]1[*:1]
Cc1ccc(Oc2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cn2)cc1C O=c1ccn(C[*:1])c(=O)[nH]1 Cc1ccc(cc1C)Oc1ccc(cn1)NC(=O)[*:1]
Cc1ccc(Oc2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cn2)cc1C Cc1ccc(cc1C)O[*:1] O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(nc1)[*:1]
Cc1ccc(Oc2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cn2)cc1C Cc1ccc(cc1C)[*:1] O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(nc1)O[*:1]
Cc1ccc(Oc2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cn2)cc1C O=c1ccn(c(=O)[nH]1)[*:1] Cc1ccc(cc1C)Oc1ccc(cn1)NC(=O)C[*:1]
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C CC(=O)O[*:1] C[C@]12C[C@H](O)[C@@]3(F)[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)C[*:1]
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C CC(=O)OCC(=O)[*:1] C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@](O)([C@@]3(C)C[C@H](O)[C@@]12F)[*:1]
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C CC(=O)OC[*:1] C[C@]12C[C@H](O)[C@@]3(F)[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)[*:1]
CNS(=O)(=O)c1cccc(C(=O)NCc2cc[nH+]c(N(C)C)c2)c1 CN(C)[*:1] CNS(=O)(=O)c1cccc(c1)C(=O)NCc1cc[nH+]c(c1)[*:1]
CNS(=O)(=O)c1cccc(C(=O)NCc2cc[nH+]c(N(C)C)c2)c1 CNS(=O)(=O)[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)c1cccc(c1)[*:1]
Cn1cc(C(=O)OCc2cn3ccccc3n2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)OCc2cn3ccccc3n2)c(n1)[*:1]
CC(=O)N1CCN(c2ccc(OS(=O)(=O)Cc3ccccc3F)cc2)CC1 CC(=O)N1CCN(CC1)[*:1] O=S(=O)(Cc1ccccc1F)Oc1ccc(cc1)[*:1]
CC(=O)N1CCN(c2ccc(OS(=O)(=O)Cc3ccccc3F)cc2)CC1 Fc1ccccc1C[*:1] CC(=O)N1CCN(CC1)c1ccc(cc1)OS(=O)(=O)[*:1]
CC(=O)N1CCN(c2ccc(OS(=O)(=O)Cc3ccccc3F)cc2)CC1 Fc1ccccc1[*:1] CC(=O)N1CCN(CC1)c1ccc(cc1)OS(=O)(=O)C[*:1]
O=C(Nc1ccccc1C(F)(F)F)N1CC[NH+](Cc2cccc(Cl)n2)CC1 Clc1cccc(C[*:1])n1 O=C(Nc1ccccc1C(F)(F)F)N1CC[NH+](CC1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)N1CC[NH+](Cc2cccc(Cl)n2)CC1 Clc1cccc(n1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CC[NH+](CC1)C[*:1]
O=C(Nc1ccccc1C(F)(F)F)N1CC[NH+](Cc2cccc(Cl)n2)CC1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])N1CC[NH+](CC1)Cc1cccc(Cl)n1
C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccccc2)n1C c1ccc(cc1)[*:1] C[C@@H](O[*:1])c1nnc(SCC(=O)c2ccccc2)n1C
C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccccc2)n1C c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)[*:1])n1C
C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccccc2)n1C c1ccc(cc1)O[*:1] C[C@@H](c1nnc(SCC(=O)c2ccccc2)n1C)[*:1]
C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccccc2)n1C O=C(c1ccccc1)[*:1] C[C@@H](Oc1ccccc1)c1nnc(SC[*:1])n1C
O=C(C#Cc1ccccc1)NCCNc1ccc2ccccc2n1 C(#C[*:1])c1ccccc1 O=C(NCCNc1ccc2ccccc2n1)[*:1]
O=C(C#Cc1ccccc1)NCCNc1ccc2ccccc2n1 c1ccc(cc1)[*:1] O=C(C#C[*:1])NCCNc1ccc2ccccc2n1
Cc1nn(C)c(=O)c(C(=O)NCC(=O)NCC(C)C)c1C CC(C)CNC(=O)[*:1] Cc1nn(C)c(=O)c(C(=O)NC[*:1])c1C
Cc1nn(C)c(=O)c(C(=O)NCC(=O)NCC(C)C)c1C CC(C)C[*:1] Cc1nn(C)c(=O)c(C(=O)NCC(=O)N[*:1])c1C
Cc1nn(C)c(=O)c(C(=O)NCC(=O)NCC(C)C)c1C CC(C)[*:1] Cc1nn(C)c(=O)c(C(=O)NCC(=O)NC[*:1])c1C
C[C@@H](NC(=O)Cn1c(-c2cccs2)cc2cccnc21)c1ccncc1 C[C@@H](c1ccncc1)[*:1] O=C(Cn1c(cc2cccnc21)-c1cccs1)N[*:1]
C[C@@H](NC(=O)Cn1c(-c2cccs2)cc2cccnc21)c1ccncc1 c1csc(c1)[*:1] C[C@@H](NC(=O)Cn1c(cc2cccnc21)[*:1])c1ccncc1
C[C@@H](NC(=O)Cn1c(-c2cccs2)cc2cccnc21)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)Cn1c(cc2cccnc21)-c1cccs1)[*:1]
Cc1csc(CN(C)C(=O)c2cc(C3CC3)nc3ccc(F)cc23)n1 Cc1csc(n1)[*:1] CN(C[*:1])C(=O)c1cc(nc2ccc(F)cc12)C1CC1
Cc1csc(CN(C)C(=O)c2cc(C3CC3)nc3ccc(F)cc23)n1 C1CC1[*:1] Cc1csc(CN(C)C(=O)c2cc(nc3ccc(F)cc23)[*:1])n1
Cc1csc(CN(C)C(=O)c2cc(C3CC3)nc3ccc(F)cc23)n1 Cc1csc(C[*:1])n1 CN(C(=O)c1cc(nc2ccc(F)cc12)C1CC1)[*:1]
CCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1cccs1 CCOC(=O)[*:1] O=C(Cc1cccs1)Nc1scc(c1[*:1])C1CC1
CCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1cccs1 c1csc(c1)[*:1] CCOC(=O)c1c(csc1NC(=O)C[*:1])C1CC1
CCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1cccs1 C1CC1[*:1] CCOC(=O)c1c(csc1NC(=O)Cc1cccs1)[*:1]
CCOC(=O)c1c(C2CC2)csc1NC(=O)Cc1cccs1 c1csc(c1)C[*:1] CCOC(=O)c1c(csc1NC(=O)[*:1])C1CC1
Fc1ccc(NC(=S)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 Fc1cccc(c1)[*:1] Fc1ccc(cc1)NC(=S)N(C[C@H]1CCCO1)C[*:1]
Fc1ccc(NC(=S)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 Fc1cccc(c1)C[*:1] Fc1ccc(cc1)NC(=S)N(C[C@H]1CCCO1)[*:1]
Fc1ccc(NC(=S)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 Fc1ccc(cc1)[*:1] Fc1cccc(c1)CN(C[C@H]1CCCO1)C(=S)N[*:1]
COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(C[*:1])/C(=N/c2ccccc2)S1
COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CN1C(=O)C[C@@H](SC1=N[*:1])C(=O)Nc1ccc(F)cc1
COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2ccccc2)cc1OC O=C(Nc1ccc(F)cc1)[*:1] COc1ccc(cc1OC)CN1C(=O)C[C@H](S/C1=N\c1ccccc1)[*:1]
COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2ccccc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)CN1C(=O)C[C@@H](S/C1=N\c1ccccc1)C(=O)N[*:1]
COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2ccccc2)cc1OC COc1ccc(cc1OC)C[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(/C(=N/c2ccccc2)S1)[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)CNC(=O)c2ccoc2C)CC1 Cc1occc1C(=O)NC[*:1] CCc1ccccc1NC(=O)CN1CCN(CC1)C(=O)[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)CNC(=O)c2ccoc2C)CC1 Cc1occc1[*:1] CCc1ccccc1NC(=O)CN1CCN(CC1)C(=O)CNC(=O)[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)CNC(=O)c2ccoc2C)CC1 Cc1occc1C(=O)N[*:1] CCc1ccccc1NC(=O)CN1CCN(CC1)C(=O)C[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)CNC(=O)c2ccoc2C)CC1 CCc1ccccc1[*:1] Cc1occc1C(=O)NCC(=O)N1CCN(CC1)CC(=O)N[*:1]
O=C(N/N=C/c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(Br)cc1)N1CCN(CC1)[*:1]
O=C(N/N=C/c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 Brc1ccc(cc1)[*:1] O=C(NN=C[*:1])N1CCN(CC1)c1ccccc1
COC(=O)[C@@]1(NC2CC2)CCC[C@@H]([NH+]2CCCCC2)C1 C1CC1N[*:1] COC(=O)[C@]1(CCC[C@H](C1)[NH+]1CCCCC1)[*:1]
COC(=O)[C@@]1(NC2CC2)CCC[C@@H]([NH+]2CCCCC2)C1 C1CC1[*:1] COC(=O)[C@]1(CCC[C@H](C1)[NH+]1CCCCC1)N[*:1]
COC(=O)[C@@]1(NC2CC2)CCC[C@@H]([NH+]2CCCCC2)C1 COC(=O)[*:1] C1CC[NH+](CC1)[C@@H]1CCC[C@@](C1)(NC1CC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)NNc2ccc(F)cc2C)c1C1CC1 Cc1cc(F)ccc1[*:1] CC[C@@H](C)n1ncc(C(=O)NN[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NNc2ccc(F)cc2C)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NNc2ccc(F)cc2C)c1[*:1]
C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1cc(on1)[*:1])c1ccc(F)cc1
C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1cc(on1)-c1ccccc1)[*:1]
C[NH2+][C@H](C)c1cc(F)ccc1OCc1cc(C)on1 Cc1cc(no1)[*:1] C[NH2+][C@H](C)c1cc(F)ccc1OC[*:1]
NC(=S)C1(NC(=O)N2CCCCC2)CCCCCCC1 NC(=S)[*:1] O=C(NC1(CCCCCCC1)[*:1])N1CCCCC1
COCC[C@H](C)C(=O)Nc1ccc2nc(C)sc2c1 COC[*:1] Cc1nc2ccc(cc2s1)NC(=O)[C@@H](C)C[*:1]
COCC[C@H](C)C(=O)Nc1ccc2nc(C)sc2c1 COCC[C@H](C)[*:1] Cc1nc2ccc(cc2s1)NC(=O)[*:1]
COCC[C@H](C)C(=O)Nc1ccc2nc(C)sc2c1 COCC[*:1] Cc1nc2ccc(cc2s1)NC(=O)[C@@H](C)[*:1]
C[C@]1(C2CC2)CC(=O)NC(=O)[C@@H]1c1ccc(Cl)cc1 C1CC1[*:1] C[C@@]1(CC(=O)NC(=O)[C@@H]1c1ccc(Cl)cc1)[*:1]
CCC(CC)(CC(=O)NNC(=O)c1cc(C)oc1C)C(=O)[O-] Cc1cc(c(C)o1)[*:1] CCC(CC)(CC(=O)NNC(=O)[*:1])C(=O)[O-]
CCC(CC)(CC(=O)NNC(=O)c1cc(C)oc1C)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(CC(=O)NNC(=O)c1cc(C)oc1C)[*:1]
COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 COC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)[C@H]2ON(c3ccccc3)[C@@H]([C@H]2C1=O)[*:1]
COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 COc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@@H]1[C@H]2C(=O)N(C(=O)[C@H]2ON1c1ccccc1)[*:1]
COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@@H]1[C@H]2C(=O)N(C(=O)[C@H]2ON1[*:1])c1ccc(cc1)OC
COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 COC(=O)[*:1] COc1ccc(cc1)N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(cc3)[*:1])[C@H]2C1=O
Cc1ccc(CC(=O)Nc2cc(-c3ccccc3C)nn2C)cc1O Cc1ccc(cc1O)[*:1] Cc1ccccc1-c1cc(NC(=O)C[*:1])n(C)n1
Cc1ccc(CC(=O)Nc2cc(-c3ccccc3C)nn2C)cc1O Cc1ccccc1[*:1] Cc1ccc(cc1O)CC(=O)Nc1cc(nn1C)[*:1]
O=C(NC1CCCC1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 C1CCC(C1)[*:1] O=C(N[*:1])[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21
O=C(NC1CCCC1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 O=C(NC1CCCC1)[*:1] O=C([C@H]1CCCC[C@H]1[*:1])N1CCc2ccccc21
CC(=O)C[C@@H]1CCCCCN1C(=O)c1cccnc1 CC(=O)[*:1] O=C(c1cccnc1)N1CCCCC[C@H]1C[*:1]
CC(=O)C[C@@H]1CCCCCN1C(=O)c1cccnc1 c1cncc(c1)[*:1] CC(=O)C[C@@H]1CCCCCN1C(=O)[*:1]
CC(=O)C[C@@H]1CCCCCN1C(=O)c1cccnc1 CC(=O)C[*:1] O=C(c1cccnc1)N1CCCCC[C@H]1[*:1]
COc1ccc(S(=O)(=O)N[C@@H](C)CO)c2ccccc12 C[C@@H](CO)[*:1] COc1ccc(c2ccccc12)S(=O)(=O)N[*:1]
CCC[C@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)CCO1 CCC[*:1] O=C([C@@H]1COc2ccc(Br)cc21)N1CCO[C@H](C1)[*:1]
CCC(CC)(NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)c1cc(c[nH]1)[N+](=O)[O-])[*:1]
CCC(CC)(NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)[O-] O=[N+]([O-])[*:1] CCC(CC)(NC(=O)c1cc(c[nH]1)[*:1])C(=O)[O-]
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc(Cl)c1F Fc1c(Cl)cccc1[*:1] CCN(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)[*:1]
CO[C@]1(C)C[C@@H](NC(=O)NC[C@@H](C)C[C@H](C)O)C1(C)C C[C@H](O)C[C@H](C)[*:1] CO[C@]1(C)C[C@@H](NC(=O)NC[*:1])C1(C)C
CO[C@]1(C)C[C@@H](NC(=O)NC[C@@H](C)C[C@H](C)O)C1(C)C C[C@H](O)[*:1] CO[C@]1(C)C[C@@H](NC(=O)NC[C@@H](C)C[*:1])C1(C)C
CO[C@]1(C)C[C@@H](NC(=O)NC[C@@H](C)C[C@H](C)O)C1(C)C C[C@H](O)C[*:1] CO[C@]1(C)C[C@@H](NC(=O)NC[C@@H](C)[*:1])C1(C)C
COCCC[n+]1c(N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 COCC[*:1] Cc1ccc(cc1)S(=O)(=O)c1cc2c(=O)n3ccccc3nc2[n+](C[*:1])c1N
COCCC[n+]1c(N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 COC[*:1] Cc1ccc(cc1)S(=O)(=O)c1cc2c(=O)n3ccccc3nc2[n+](CC[*:1])c1N
COCCC[n+]1c(N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 COCCC[*:1] Cc1ccc(cc1)S(=O)(=O)c1cc2c(=O)n3ccccc3nc2[n+](c1N)[*:1]
COCCC[n+]1c(N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 Cc1ccc(cc1)S(=O)(=O)[*:1] COCCC[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)[*:1]
COCCC[n+]1c(N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 Cc1ccc(cc1)[*:1] COCCC[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)S(=O)(=O)[*:1]
COc1cc(F)cc(CNC(=O)Cn2ccnc2)c1 c1cn(cn1)[*:1] COc1cc(F)cc(c1)CNC(=O)C[*:1]
COc1cc(F)cc(CNC(=O)Cn2ccnc2)c1 c1cn(cn1)C[*:1] COc1cc(F)cc(c1)CNC(=O)[*:1]
NC(=O)Nc1nc(-c2ccccc2)no1 NC(=O)N[*:1] c1ccc(cc1)-c1noc(n1)[*:1]
C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(F)nc1 Fc1ccc(cn1)[*:1] C[C@](C#N)(CCc1ccccc1)NC(=O)[*:1]
C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(F)nc1 c1ccc(cc1)[*:1] C[C@](C#N)(CC[*:1])NC(=O)c1ccc(F)nc1
C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(F)nc1 c1ccc(cc1)C[*:1] C[C@](C#N)(C[*:1])NC(=O)c1ccc(F)nc1
Cc1nc(CC(=O)N2[C@@H](C)[C@@H](c3ccccc3)OC[C@H]2C)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)N1[C@@H](C)[C@@H](OC[C@H]1C)[*:1]
Cc1nc(CC(=O)N2[C@@H](C)[C@@H](c3ccccc3)OC[C@H]2C)cs1 Cc1nc(cs1)C[*:1] C[C@H]1[C@H](OC[C@@H](C)N1C(=O)[*:1])c1ccccc1
Cc1nc(CC(=O)N2[C@@H](C)[C@@H](c3ccccc3)OC[C@H]2C)cs1 Cc1nc(cs1)[*:1] C[C@H]1[C@H](OC[C@@H](C)N1C(=O)C[*:1])c1ccccc1
CCC[C@H](C)[NH2+]Cc1nncn1C1CC1 C1CC1[*:1] CCC[C@H](C)[NH2+]Cc1nncn1[*:1]
CCC[C@H](C)[NH2+]Cc1nncn1C1CC1 CCC[*:1] C[C@H]([NH2+]Cc1nncn1C1CC1)[*:1]
CCC[C@H](C)[NH2+]Cc1nncn1C1CC1 CCC[C@H](C)[*:1] c1nnc(C[NH2+][*:1])n1C1CC1
CCc1cccc(NC(=O)Cn2nc(SC)c(S(=O)(=O)c3ccc(C)cc3)c2N)c1 Cc1ccc(cc1)S(=O)(=O)[*:1] CCc1cccc(c1)NC(=O)Cn1nc(SC)c(c1N)[*:1]
CCc1cccc(NC(=O)Cn2nc(SC)c(S(=O)(=O)c3ccc(C)cc3)c2N)c1 Cc1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)Cn1nc(SC)c(c1N)S(=O)(=O)[*:1]
CCc1cccc(NC(=O)Cn2nc(SC)c(S(=O)(=O)c3ccc(C)cc3)c2N)c1 CCc1cccc(c1)[*:1] CSc1nn(CC(=O)N[*:1])c(N)c1S(=O)(=O)c1ccc(C)cc1
Cn1c(=O)c2c(SCC[NH+]3CCCCC3)nc(C3CCCCC3)nc2n(C)c1=O C1CCC(CC1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)[*:1])SCC[NH+]1CCCCC1
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cncc(C)c2)c1 C=CCNC(=O)[*:1] Cc1cncc(c1)[N-]S(=O)(=O)c1cccc(c1)[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cncc(C)c2)c1 C=CC[*:1] Cc1cncc(c1)[N-]S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CCn1ncnc1CC1(c2ccccc2)C[NH2+]C1 c1ccc(cc1)[*:1] CCn1ncnc1CC1(C[NH2+]C1)[*:1]
CS[C@@H](CO)[C@H](C)Nc1nc(C)c(CC(C)C)c(C)n1 CC(C)C[*:1] CS[C@@H](CO)[C@H](C)Nc1nc(C)c(c(C)n1)[*:1]
CS[C@@H](CO)[C@H](C)Nc1nc(C)c(CC(C)C)c(C)n1 CC(C)[*:1] CS[C@@H](CO)[C@H](C)Nc1nc(C)c(C[*:1])c(C)n1
COc1cccc(CN(C)S(=O)(=O)c2ccc(C(C)C)cc2)c1 CC(C)[*:1] COc1cccc(c1)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 CC[S@@](=O)[*:1] CC1(C)Cc2cc(ccc2O1)C[NH2+][C@H]1CCCC[C@H]1[*:1]
C[C@@H](c1cccnc1)N(C)Cc1ccc(Cl)nc1 c1cncc(c1)[*:1] C[C@@H](N(C)Cc1ccc(Cl)nc1)[*:1]
O=C(CSc1ccc(F)cc1)NCC[C@H](O)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(CS[*:1])NCC[C@H](O)c1ccccc1
O=C(CSc1ccc(F)cc1)NCC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ccc(F)cc1)NCC[C@H](O)[*:1]
Cc1cc(NC(=O)c2ccccn2)ccc1S(N)(=O)=O c1ccc(nc1)[*:1] Cc1cc(ccc1S(N)(=O)=O)NC(=O)[*:1]
Cc1cc(NC(=O)c2ccccn2)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ccccn1
CC1=C[C@@H]([C@@H]2N=N[C@H](S)N2/N=C/c2ccc(C(=O)[O-])cc2)N=N1 O=C([O-])[*:1] CC1=C[C@H](N=N1)[C@@H]1N=N[C@H](S)N1/N=C/c1ccc(cc1)[*:1]
C[C@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] C[C@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)[*:1]
C[C@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 Clc1ccc(cc1)[*:1] C[C@H](Sc1nnc([C@@H](C)[NH+](C)C)n1[*:1])C(=O)c1c[nH]c2ccccc12
Oc1cccc(C[NH+]2CCC(n3cc(-c4ccccc4)nn3)CC2)c1 c1ccc(cc1)[*:1] Oc1cccc(c1)C[NH+]1CCC(CC1)n1cc(nn1)[*:1]
Oc1cccc(C[NH+]2CCC(n3cc(-c4ccccc4)nn3)CC2)c1 Oc1cccc(c1)C[*:1] c1ccc(cc1)-c1cn(nn1)C1CC[NH+](CC1)[*:1]
Oc1cccc(C[NH+]2CCC(n3cc(-c4ccccc4)nn3)CC2)c1 Oc1cccc(c1)[*:1] c1ccc(cc1)-c1cn(nn1)C1CC[NH+](CC1)C[*:1]
CCN[C@H](c1cnn(CC)c1)[C@](C)(CC)[NH+]1CCCC1 CCN[*:1] CCn1cc(cn1)[C@H]([C@](C)(CC)[NH+]1CCCC1)[*:1]
O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)[*:1]
CC(C)(C)CCCNC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl CC(C)(C)C[*:1] CS(=O)(=O)c1cc(C(=O)NCC[*:1])c(Cl)cc1Cl
CC(C)(C)CCCNC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl CC(C)(C)[*:1] CS(=O)(=O)c1cc(C(=O)NCCC[*:1])c(Cl)cc1Cl
CC(C)(C)CCCNC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl CC(C)(C)CC[*:1] CS(=O)(=O)c1cc(C(=O)NC[*:1])c(Cl)cc1Cl
CC(C)(C)CCCNC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl CS(=O)(=O)[*:1] CC(C)(C)CCCNC(=O)c1cc(c(Cl)cc1Cl)[*:1]
CC(C)(C)CCCNC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl CC(C)(C)CCC[*:1] CS(=O)(=O)c1cc(C(=O)N[*:1])c(Cl)cc1Cl
Cc1cc(C)n(-c2cncc(NCC(=O)N(C)CC(F)(F)F)n2)n1 FC(F)(F)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)NCC(=O)N(C)C[*:1]
Cc1cc(C)n(-c2cncc(NCC(=O)N(C)CC(F)(F)F)n2)n1 Cc1cc(C)n(n1)[*:1] CN(CC(F)(F)F)C(=O)CNc1cncc(n1)[*:1]
Cc1cc(C)n(-c2cncc(NCC(=O)N(C)CC(F)(F)F)n2)n1 FC(F)(F)C[*:1] Cc1cc(C)n(n1)-c1cncc(n1)NCC(=O)N(C)[*:1]
CN(C[C@H](O)C1CC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1F C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)[C@@H]1C[C@@H]1c1ccccc1F
CN(C[C@H](O)C1CC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1F O[C@H](C1CC1)[*:1] CN(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccccc1F
CN(C[C@H](O)C1CC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1F O[C@@H](C[*:1])C1CC1 CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1F)[*:1]
CN(CCc1ccccn1)S(=O)(=O)N1CCCC1 c1ccc(nc1)[*:1] CN(CC[*:1])S(=O)(=O)N1CCCC1
Cc1cc(C)c(C)c(OC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(C)c(c1)OC(=O)c1ccc(=O)n(n1)[*:1]
N=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1C(F)(F)F O=[N+]([O-])c1ccc(cc1)[*:1] N=C1SC(=C[*:1])C(=O)N1c1ccccc1C(F)(F)F
N=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1C(F)(F)F O=[N+]([O-])[*:1] N=C1S/C(=C\c2ccc(cc2)[*:1])C(=O)N1c1ccccc1C(F)(F)F
N=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1C(F)(F)F FC(F)(F)[*:1] N=C1S/C(=C\c2ccc(cc2)[N+](=O)[O-])C(=O)N1c1ccccc1[*:1]
Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCCC(=O)[O-])ccc21 O=C([O-])CCC[*:1] Cn1c(=O)n(C)c2cc(ccc21)S(=O)(=O)N[*:1]
Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCCC(=O)[O-])ccc21 O=C([O-])C[*:1] Cn1c(=O)n(C)c2cc(ccc21)S(=O)(=O)NCC[*:1]
Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCCC(=O)[O-])ccc21 O=C([O-])[*:1] Cn1c(=O)n(C)c2cc(ccc21)S(=O)(=O)NCCC[*:1]
Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCCC(=O)[O-])ccc21 O=C([O-])CC[*:1] Cn1c(=O)n(C)c2cc(ccc21)S(=O)(=O)NC[*:1]
O=C([O-])CC1c2ccccc2CCc2ccccc21 O=C([O-])C[*:1] c1ccc2c(c1)CCc1ccccc1C2[*:1]
O=C([O-])CC1c2ccccc2CCc2ccccc21 O=C([O-])[*:1] c1ccc2c(c1)CCc1ccccc1C2C[*:1]
COCCNC(=O)CNc1cc(C#N)c2cc(Cl)ccc2n1 COCC[*:1] N#Cc1cc(nc2ccc(Cl)cc12)NCC(=O)N[*:1]
COCCNC(=O)CNc1cc(C#N)c2cc(Cl)ccc2n1 COCCNC(=O)[*:1] N#Cc1cc(nc2ccc(Cl)cc12)NC[*:1]
COCCNC(=O)CNc1cc(C#N)c2cc(Cl)ccc2n1 COC[*:1] N#Cc1cc(nc2ccc(Cl)cc12)NCC(=O)NC[*:1]
[NH3+]CC1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2Br)CC1 O=C([O-])[*:1] [NH3+]CC1CCC(CC1)C(=O)Nc1ccc(cc1Br)[*:1]
Cc1ccc(C2=NN(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)[C@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc2CCCc2c1)[*:1]
Cc1ccc(C2=NN(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)[C@H](c3ccco3)C2)cc1 c1cc2CCCc2cc1[*:1] Cc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1ccc(C2=NN(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)[C@H](c3ccco3)C2)cc1 Cc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2N=C(C[C@H]2c2ccco2)[*:1])C1=O)c1ccc2CCCc2c1
[NH3+][C@H](CC(=O)Nc1ccc(Cl)c(Br)c1)c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@H](CC(=O)Nc1ccc(Cl)c(Br)c1)[*:1]
COc1cncc(N2CCN(C(=O)N[C@@H](C)CCC(C)(C)C)CC2)n1 CC(C)(C)[*:1] COc1cncc(n1)N1CCN(CC1)C(=O)N[C@@H](C)CC[*:1]
COc1cncc(N2CCN(C(=O)N[C@@H](C)CCC(C)(C)C)CC2)n1 COc1cncc(n1)[*:1] C[C@@H](CCC(C)(C)C)NC(=O)N1CCN(CC1)[*:1]
COc1cncc(N2CCN(C(=O)N[C@@H](C)CCC(C)(C)C)CC2)n1 CC(C)(C)CC[*:1] COc1cncc(n1)N1CCN(CC1)C(=O)N[C@@H](C)[*:1]
COc1cncc(N2CCN(C(=O)N[C@@H](C)CCC(C)(C)C)CC2)n1 CC(C)(C)C[*:1] COc1cncc(n1)N1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
Cc1c(F)cccc1NC(=O)N(C)CCN(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)N(C)CCN(C)[*:1]
Cc1cccc(N2CCN(C(=O)C(Cl)(Cl)Cl)CC2)c1C ClC(Cl)(Cl)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)[*:1]
C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)[*:1]
C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O C=CC[*:1] C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)[C@H](C)[*:1]
C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O C=CC[C@@H](C)[*:1] C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)[*:1]
C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C[*:1]
COc1ccc(-c2nc(NC(=O)c3cccnc3N3CCCCC3)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1cccnc1N1CCCCC1
COc1ccc(-c2nc(NC(=O)c3cccnc3N3CCCCC3)sc2C)cc1 C1CCN(CC1)[*:1] COc1ccc(cc1)-c1nc(NC(=O)c2cccnc2[*:1])sc1C
Cc1cc(C(=O)N[C@H]2CCCOc3c2ccc2ccccc32)on1 Cc1cc(on1)[*:1] O=C(N[C@H]1CCCOc2c1ccc1ccccc21)[*:1]
Nc1c(C(=O)N[C@@H](CO)c2ccccc2F)cccc1[N+](=O)[O-] Fc1ccccc1[*:1] Nc1c(cccc1[N+](=O)[O-])C(=O)N[C@@H](CO)[*:1]
Nc1c(C(=O)N[C@@H](CO)c2ccccc2F)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1c(cccc1[*:1])C(=O)N[C@@H](CO)c1ccccc1F
COc1cc(/C=N/NC(C)=O)ccc1OCc1ccc(Cl)cc1 CC(=O)NN=C[*:1] COc1cc(ccc1OCc1ccc(Cl)cc1)[*:1]
COc1cc(/C=N/NC(C)=O)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1cc(/C=N/NC(C)=O)ccc1OC[*:1]
O=C(C[C@@H]1CSc2nccc(=O)n21)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C[C@@H]1CSc2nccc(=O)n21)N[*:1]
O=C(NCCn1nc(-n2cccn2)ccc1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCn1nc(ccc1=O)-n1cccn1)[*:1]
O=C(NCCn1nc(-n2cccn2)ccc1=O)c1ccc(F)cc1 c1cnn(c1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])c1ccc(F)cc1
Cc1ccccc1C(=O)NC1CCN(C(=O)CN2C[C@H](C)O[C@@H](C)C2)CC1 Cc1ccccc1[*:1] C[C@H]1CN(CC(=O)N2CCC(CC2)NC(=O)[*:1])C[C@H](C)O1
COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2cscn2)c([O-])c1 FC(F)(F)[*:1] COc1ccc(c([O-])c1)-c1nc(N)nc(c1-c1cscn1)[*:1]
COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2cscn2)c([O-])c1 c1nc(cs1)[*:1] COc1ccc(c([O-])c1)-c1nc(N)nc(c1[*:1])C(F)(F)F
O=C(NCc1ccccc1)C(=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(N[*:1])C(=O)c1cnn(c1)-c1ccccc1
O=C(NCc1ccccc1)C(=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NC[*:1])C(=O)c1cnn(c1)-c1ccccc1
O=C(NCc1ccccc1)C(=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1)C(=O)c1cnn(c1)[*:1]
CC(C)c1ncc(N)c(C(=O)NC[C@@H]2CN(C)CCO2)n1 CN1CCO[C@@H](C1)[*:1] CC(C)c1ncc(N)c(n1)C(=O)NC[*:1]
CC(C)c1ncc(N)c(C(=O)NC[C@@H]2CN(C)CCO2)n1 CC(C)[*:1] CN1CCO[C@H](CNC(=O)c2nc(ncc2N)[*:1])C1
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl O=C([O-])[*:1] Cc1ccc(cc1Cl)S(=O)(=O)[N-]c1ccc(Cl)c(c1)[*:1]
C[C@@H](OC(=O)c1nccnc1N)C(=O)NNC(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](OC(=O)c1nccnc1N)C(=O)NNC(=O)[*:1]
C[C@@H](OC(=O)c1nccnc1N)C(=O)NNC(=O)c1cccc(Cl)c1 Nc1nccnc1[*:1] C[C@@H](OC(=O)[*:1])C(=O)NNC(=O)c1cccc(Cl)c1
COc1cccc(CCNC(=O)c2cnc3c(ccn3C3CCCCC3)c2)c1 COc1cccc(c1)C[*:1] O=C(NC[*:1])c1cnc2c(ccn2C2CCCCC2)c1
COc1cccc(CCNC(=O)c2cnc3c(ccn3C3CCCCC3)c2)c1 C1CCC(CC1)[*:1] COc1cccc(c1)CCNC(=O)c1cnc2c(ccn2[*:1])c1
COc1cccc(CCNC(=O)c2cnc3c(ccn3C3CCCCC3)c2)c1 COc1cccc(c1)[*:1] O=C(NCC[*:1])c1cnc2c(ccn2C2CCCCC2)c1
CCCCNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 CCC[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)c1ccccc1F
CCCCNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 CCCC[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1ccccc1F
CCCCNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 CCCCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1F
CCCCNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] CCCCNC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)(C)N1C(=O)[C@H]2CC[C@H]3CCCC[C@@H]3N2C1=O CC(C)(C)[*:1] O=C1[C@H]2CC[C@H]3CCCC[C@@H]3N2C(=O)N1[*:1]
CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2cccnc2Cl)c1 CC(C)[*:1] O=C(Nc1cccnc1Cl)c1cccc(c1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2cccnc2Cl)c1 Clc1ncccc1[*:1] CC(C)NS(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2cccnc2Cl)c1 CC(C)NS(=O)(=O)[*:1] O=C(Nc1cccnc1Cl)c1cccc(c1)[*:1]
COCCNC(=O)N1CCc2ccccc2C1 COC[*:1] O=C(NC[*:1])N1CCc2ccccc2C1
COCCNC(=O)N1CCc2ccccc2C1 COCC[*:1] O=C(N[*:1])N1CCc2ccccc2C1
Cc1cc(C)c(NCC(C)(C)C)c(C)c1 CC(C)(C)[*:1] Cc1cc(C)c(NC[*:1])c(C)c1
Cc1cc(C)c(NCC(C)(C)C)c(C)c1 CC(C)(C)C[*:1] Cc1cc(C)c(N[*:1])c(C)c1
C#Cc1cccc(N(C(=O)c2cnn(-c3ccncc3)c2C)C(C)C)c1 C#Cc1cccc(c1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N(C(C)C)[*:1]
C#Cc1cccc(N(C(=O)c2cnn(-c3ccncc3)c2C)C(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(C(=O)c1cnn(-c2ccncc2)c1C)[*:1]
C#Cc1cccc(N(C(=O)c2cnn(-c3ccncc3)c2C)C(C)C)c1 c1cc(ccn1)[*:1] C#Cc1cccc(c1)N(C(=O)c1cnn(c1C)[*:1])C(C)C
c1ccc2c(c1)oc1c(N3CCN(Cc4ccon4)CC3)ncnc12 c1cc(C[*:1])no1 c1ccc2c(c1)oc1c(ncnc12)N1CCN(CC1)[*:1]
c1ccc2c(c1)oc1c(N3CCN(Cc4ccon4)CC3)ncnc12 c1cc(no1)[*:1] c1ccc2c(c1)oc1c(ncnc12)N1CCN(CC1)C[*:1]
N#Cc1ccc(C(=O)/C=C/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)C(=O)/C=C/C=C[*:1]
C[C@@H](CNC(=O)CN1CCCCCCC1=O)N1CCN(c2ccccc2)CC1 O=C1CCCCCCN1[*:1] C[C@@H](CNC(=O)C[*:1])N1CCN(CC1)c1ccccc1
C[C@@H](CNC(=O)CN1CCCCCCC1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)CN1CCCCCCC1=O)N1CCN(CC1)[*:1]
Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCc4ccccc4F)C3)sc2n1 Fc1ccccc1C[*:1] Cc1cc(=O)n2nc(sc2n1)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCc4ccccc4F)C3)sc2n1 Fc1ccccc1[*:1] Cc1cc(=O)n2nc(sc2n1)N1CCC[C@@H](C1)C(=O)NC[*:1]
Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccs2)N2CCOCC2)c1C O=C(N[*:1])c1cccs1 Cc1sc(c(c1C)[C@H](c1cccs1)N1CCOCC1)[*:1]
Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccs2)N2CCOCC2)c1C C1CN(CCO1)[*:1] Cc1sc(NC(=O)c2cccs2)c(c1C)[C@H](c1cccs1)[*:1]
Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccs2)N2CCOCC2)c1C c1csc(c1)[*:1] Cc1sc(NC(=O)[*:1])c(c1C)[C@H](c1cccs1)N1CCOCC1
Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccs2)N2CCOCC2)c1C c1csc(c1)[*:1] Cc1sc(NC(=O)c2cccs2)c(c1C)[C@H](N1CCOCC1)[*:1]
COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1I O=[N+]([O-])[*:1] COc1ccc(cc1I)C(=O)N/N=C/c1ccc(s1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 Fc1ccc(cc1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1nn(cc1[O-])[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 COC(=O)[*:1] O=C(c1nn(cc1[O-])-c1ccc(F)cc1)N1CC[C@@](F)(C1)[*:1]
C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCCC2)c1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[C@@H]([NH2+][C@H](C)c1nc2CCCCc2s1)c1nc(cs1)[*:1]
COCc1nc2cc(NC(=O)[C@@H](C)NC(=O)CC3CCCCC3)ccc2o1 COC[*:1] C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc2oc(nc2c1)[*:1]
COCc1nc2cc(NC(=O)[C@@H](C)NC(=O)CC3CCCCC3)ccc2o1 C1CCC(CC1)C[*:1] COCc1nc2cc(ccc2o1)NC(=O)[C@@H](C)NC(=O)[*:1]
COCc1nc2cc(NC(=O)[C@@H](C)NC(=O)CC3CCCCC3)ccc2o1 C1CCC(CC1)[*:1] COCc1nc2cc(ccc2o1)NC(=O)[C@@H](C)NC(=O)C[*:1]
Cc1nccc(-c2cccc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C)c2)n1 Cc1nccc(n1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
C[C@H](O)c1ccn(CCn2cccn2)c1 C[C@H](O)[*:1] c1cnn(c1)CCn1ccc(c1)[*:1]
C[C@H](O)c1ccn(CCn2cccn2)c1 c1cnn(c1)[*:1] C[C@H](O)c1ccn(c1)CC[*:1]
Clc1nc2ccccc2cc1CN1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] Clc1nc2ccccc2cc1CN1CCN(CC1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)C1 CS(=O)(=O)[*:1] O=C(Cc1c[nH]c2ccc(F)cc12)N[C@H]1CCC[C@H](C1)[*:1]
CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)s1 Clc1ccc(s1)[*:1] CC(=O)c1ccc(s1)C(=O)N[C@H](C)[*:1]
CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)s1 CC(=O)[*:1] C[C@@H](NC(=O)c1ccc(s1)[*:1])c1ccc(Cl)s1
O=C1CS[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1CS[C@H](c2cc3OCOc3cc2[N+](=O)[O-])N1[*:1]
O=C1CS[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1c1ccc(Br)cc1 O=[N+]([O-])[*:1] O=C1CS[C@H](c2cc3OCOc3cc2[*:1])N1c1ccc(Br)cc1
Cc1ccccc1OCCCN1C(=O)/C(=N\O)c2c(Cl)cccc21 Cc1ccccc1[*:1] O=C1/C(=N\O)c2c(Cl)cccc2N1CCCO[*:1]
Cc1ccccc1OCCCN1C(=O)/C(=N\O)c2c(Cl)cccc21 Cc1ccccc1O[*:1] O=C1/C(=N\O)c2c(Cl)cccc2N1CCC[*:1]
O=C(C[S@@](=O)Cc1ccccc1Cl)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(C[S@@](=O)Cc1ccccc1Cl)Nc1ccc(cc1)[*:1]
O=C(C[S@@](=O)Cc1ccccc1Cl)Nc1ccc(OC(F)F)cc1 Clc1ccccc1[*:1] O=C(C[S@@](=O)C[*:1])Nc1ccc(cc1)OC(F)F
O=C(C[S@@](=O)Cc1ccccc1Cl)Nc1ccc(OC(F)F)cc1 Clc1ccccc1C[*:1] O=C(C[S@@](=O)[*:1])Nc1ccc(cc1)OC(F)F
O=C(C[S@@](=O)Cc1ccccc1Cl)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(C[S@@](=O)Cc1ccccc1Cl)Nc1ccc(cc1)O[*:1]
COc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc(F)cc1Cl
COc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1S(=O)(=O)N1CCCC1 Fc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)N[*:1]
C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1nccn1C Cn1ccnc1[*:1] C[C@@H](c1ccc(cc1)OC(F)(F)F)[S@](=O)C[*:1]
C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1nccn1C Cn1ccnc1C[*:1] C[C@@H](c1ccc(cc1)OC(F)(F)F)[S@](=O)[*:1]
C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1nccn1C FC(F)(F)O[*:1] C[C@@H](c1ccc(cc1)[*:1])[S@](=O)Cc1nccn1C
C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)Cc1nccn1C FC(F)(F)[*:1] C[C@@H](c1ccc(cc1)O[*:1])[S@](=O)Cc1nccn1C
CCn1c(CSc2nc(C)cc(C)c2C#N)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 Cc1cc(C)c(C#N)c(n1)[*:1] CCn1c(CS[*:1])nc2cc(ccc21)S(=O)(=O)N1CCCCC1
CCn1c(CSc2nc(C)cc(C)c2C#N)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 O=S(=O)(N1CCCCC1)[*:1] CCn1c(CSc2nc(C)cc(C)c2C#N)nc2cc(ccc21)[*:1]
CC(C)[C@H](O)CCNC(=O)c1cnc(Cc2ccccc2)s1 CC(C)[*:1] O=C(NCC[C@@H](O)[*:1])c1cnc(Cc2ccccc2)s1
CC(C)[C@H](O)CCNC(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)[C@H](O)CCNC(=O)c1cnc(C[*:1])s1
CC(C)[C@H](O)CCNC(=O)c1cnc(Cc2ccccc2)s1 CC(C)[C@H](O)C[*:1] O=C(NC[*:1])c1cnc(Cc2ccccc2)s1
CC(C)[C@H](O)CCNC(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] CC(C)[C@H](O)CCNC(=O)c1cnc(s1)[*:1]
CC(C)[C@H](O)CCNC(=O)c1cnc(Cc2ccccc2)s1 CC(C)[C@H](O)CC[*:1] O=C(N[*:1])c1cnc(Cc2ccccc2)s1
CC(C)[C@H](O)CCNC(=O)c1cnc(Cc2ccccc2)s1 CC(C)[C@H](O)[*:1] O=C(NCC[*:1])c1cnc(Cc2ccccc2)s1
[NH3+][C@H]1CC[C@H](OCCc2ccccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] [NH3+][C@H]1CC[C@@H](C1)OCCc1ccccc1[*:1]
C#CCNC(=O)c1ccccc1NCc1ccc(OC)cc1Cl C#CCNC(=O)[*:1] COc1ccc(CNc2ccccc2[*:1])c(Cl)c1
C#CCNC(=O)c1ccccc1NCc1ccc(OC)cc1Cl C#CC[*:1] COc1ccc(CNc2ccccc2C(=O)N[*:1])c(Cl)c1
Cc1cccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1C Cc1cccc(c1C)[*:1] O=C1c2ccccc2[C@@H](N[*:1])N1Cc1ccc2OCOc2c1
Cc1cccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1C c1cc2OCOc2cc1[*:1] Cc1cccc(N[C@@H]2c3ccccc3C(=O)N2C[*:1])c1C
Cc1cccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1C Cc1cccc(N[*:1])c1C O=C1c2ccccc2[C@H](N1Cc1ccc2OCOc2c1)[*:1]
O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)N(CCO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1N(CCN1c1ccc(Cl)cc1)CC(=O)N(CCO)[*:1]
O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)c1ccc(Cl)cc1)N(CCO)C[*:1]
O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)N(CCO)Cc1ccccc1 Clc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])N(CCO)Cc1ccccc1
O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)N(CCO)Cc1ccccc1 OCC[*:1] O=C1N(CCN1c1ccc(Cl)cc1)CC(=O)N(Cc1ccccc1)[*:1]
CCn1cc[nH+]c1CNCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] CCn1cc[nH+]c1CNCc1ccnc(c1)O[*:1]
CCn1cc[nH+]c1CNCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] CCn1cc[nH+]c1CNCc1ccnc(c1)[*:1]
Cc1cc(O[C@@H](C)C(=O)NCCC(=O)[O-])c2c3c(c(=O)oc2c1)CCCC3 O=C([O-])C[*:1] Cc1cc(O[C@@H](C)C(=O)NC[*:1])c2c3CCCCc3c(=O)oc2c1
Cc1cc(O[C@@H](C)C(=O)NCCC(=O)[O-])c2c3c(c(=O)oc2c1)CCCC3 O=C([O-])CC[*:1] Cc1cc(O[C@@H](C)C(=O)N[*:1])c2c3CCCCc3c(=O)oc2c1
Cc1cc(O[C@@H](C)C(=O)NCCC(=O)[O-])c2c3c(c(=O)oc2c1)CCCC3 O=C([O-])[*:1] Cc1cc(O[C@@H](C)C(=O)NCC[*:1])c2c3CCCCc3c(=O)oc2c1
Cc1cc(O[C@@H](C)C(=O)NCCC(=O)[O-])c2c3c(c(=O)oc2c1)CCCC3 O=C([O-])CCNC(=O)[*:1] Cc1cc(O[C@@H](C)[*:1])c2c3CCCCc3c(=O)oc2c1
COc1cc(/C=C/C(=O)N(C)Cc2nc(C)n[nH]2)ccc1OC(C)C Cc1n[nH]c(n1)[*:1] COc1cc(/C=C/C(=O)N(C)C[*:1])ccc1OC(C)C
COc1cc(/C=C/C(=O)N(C)Cc2nc(C)n[nH]2)ccc1OC(C)C CC(C)O[*:1] COc1cc(/C=C/C(=O)N(C)Cc2nc(C)n[nH]2)ccc1[*:1]
COc1cc(/C=C/C(=O)N(C)Cc2nc(C)n[nH]2)ccc1OC(C)C CC(C)[*:1] COc1cc(/C=C/C(=O)N(C)Cc2nc(C)n[nH]2)ccc1O[*:1]
COCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C#N)C1 COCC[*:1] N#C[C@H]1CN(CCO1)C(=O)[C@@H]([NH3+])[*:1]
COCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C#N)C1 COC[*:1] N#C[C@H]1CN(CCO1)C(=O)[C@@H]([NH3+])C[*:1]
CCC[C@H]1C[C@](O)(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCO1 CCC[*:1] CS(=O)(=O)N1CCC[C@H](C1)C[C@]1(O)CCO[C@H](C1)[*:1]
C[C@@H](CC1CCCC1)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 C1CCC(C1)C[*:1] C[C@@H](C(=O)NCc1ccc(cc1)N(C)S(C)(=O)=O)[*:1]
C[C@@H](CC1CCCC1)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 CN(S(C)(=O)=O)[*:1] C[C@@H](CC1CCCC1)C(=O)NCc1ccc(cc1)[*:1]
C[C@@H](CC1CCCC1)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 C1CCC(C1)[*:1] C[C@@H](C[*:1])C(=O)NCc1ccc(cc1)N(C)S(C)(=O)=O
CC[C@H]1CC(=O)N(C[C@@H]([NH3+])c2ccc(OC(C)C)cc2)C1 CC(C)[*:1] CC[C@H]1CC(=O)N(C1)C[C@@H]([NH3+])c1ccc(cc1)O[*:1]
CC[C@H]1CC(=O)N(C[C@@H]([NH3+])c2ccc(OC(C)C)cc2)C1 CC(C)O[*:1] CC[C@H]1CC(=O)N(C1)C[C@@H]([NH3+])c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 CC(=O)NCC[*:1] C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 CC(=O)N[*:1] C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(cc1)CC[*:1]
CC(=O)NCCc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 CC(=O)NC[*:1] C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(=O)NCCc1ccc(cc1)[C@H](C)[NH2+]C[*:1]
CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1nc(cs1)[*:1]
CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 CC(C)=C[*:1] C[C@@H](CC[*:1])[NH2+][C@@H](C)c1nc(cs1)-c1ccncc1
CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 CC(C)=CCC[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1nc(cs1)-c1ccncc1
CC(C)=CCC[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 CC(C)=CC[*:1] C[C@@H](C[*:1])[NH2+][C@@H](C)c1nc(cs1)-c1ccncc1
COc1ccc(NC(=O)Cn2c[nH+]c(-c3noc(C4CC4)n3)c2)cc1Cl C1CC1c1nc(no1)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1c[nH+]c(c1)[*:1]
COc1ccc(NC(=O)Cn2c[nH+]c(-c3noc(C4CC4)n3)c2)cc1Cl C1CC1[*:1] COc1ccc(cc1Cl)NC(=O)Cn1c[nH+]c(c1)-c1noc(n1)[*:1]
CN(C)[C@@H](C(=O)NCc1nn(C)c2cccc(Cl)c12)c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(C)[C@@H](C(=O)NCc1nn(C)c2cccc(Cl)c12)[*:1]
CN(C)[C@@H](C(=O)NCc1nn(C)c2cccc(Cl)c12)c1cccc(F)c1 CN(C)[*:1] Cn1nc(CNC(=O)[C@@H](c2cccc(F)c2)[*:1])c2c(Cl)cccc21
CC(C)N(C)C(=O)[C@H](C)S(=O)(=O)c1ccc2ccccc2n1 CC(C)[*:1] C[C@@H](C(=O)N(C)[*:1])S(=O)(=O)c1ccc2ccccc2n1
CC(C)N(C)C(=O)[C@H](C)S(=O)(=O)c1ccc2ccccc2n1 CC(C)N(C)C(=O)[*:1] C[C@H](S(=O)(=O)c1ccc2ccccc2n1)[*:1]
O=C(/C=C/c1ccnc(Cl)c1)O[C@@H]1CCC[C@H]1n1cccn1 Clc1cc(ccn1)[*:1] O=C(C=C[*:1])O[C@@H]1CCC[C@H]1n1cccn1
O=C(/C=C/c1ccnc(Cl)c1)O[C@@H]1CCC[C@H]1n1cccn1 c1cnn(c1)[*:1] O=C(/C=C/c1ccnc(Cl)c1)O[C@@H]1CCC[C@@H]1[*:1]
COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cc(OC)c(OC)cc1OC COC(=O)[*:1] COc1cc(OC)c(cc1OC)[C@@H]1Nc2ccccc2NC2C[C@H](C)[C@H](C(=O)C=21)[*:1]
O=C([O-])Cn1cccc1C(=O)NCCC(=O)NC1CC1 C1CC1[*:1] O=C([O-])Cn1cccc1C(=O)NCCC(=O)N[*:1]
O=C([O-])Cn1cccc1C(=O)NCCC(=O)NC1CC1 O=C([O-])[*:1] O=C(CCNC(=O)c1cccn1C[*:1])NC1CC1
O=C([O-])Cn1cccc1C(=O)NCCC(=O)NC1CC1 O=C([O-])C[*:1] O=C(CCNC(=O)c1cccn1[*:1])NC1CC1
O=C([O-])Cn1cccc1C(=O)NCCC(=O)NC1CC1 O=C(NC1CC1)[*:1] O=C([O-])Cn1cccc1C(=O)NCC[*:1]
CCC[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccc(O)c1 CCC[*:1] C[C@H]1CN(Cc2cccc(O)c2)[C@@H](C[NH2+]1)[*:1]
NC(=O)NCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 NC(=O)NCCN[*:1] O=[N+]([O-])c1ccc(nc1-c1ccccc1)[*:1]
NC(=O)NCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 O=[N+]([O-])[*:1] NC(=O)NCCNc1ccc(c(n1)-c1ccccc1)[*:1]
NC(=O)NCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 NC(=O)NCC[*:1] O=[N+]([O-])c1ccc(nc1-c1ccccc1)N[*:1]
NC(=O)NCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 c1ccc(cc1)[*:1] NC(=O)NCCNc1ccc(c(n1)[*:1])[N+](=O)[O-]
NC(=O)NCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 NC(=O)NC[*:1] O=[N+]([O-])c1ccc(nc1-c1ccccc1)NC[*:1]
NC(=O)NCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 NC(=O)N[*:1] O=[N+]([O-])c1ccc(nc1-c1ccccc1)NCC[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)cc1 CC(=O)N[*:1] Cn1nc(ccc1=O)C(=O)Nc1nc(cs1)-c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)cc1 CC(=O)NC[*:1] Cn1nc(ccc1=O)C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)cc1 Cn1nc(ccc1=O)[*:1] CC(=O)NCc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
COc1ccc(CC(=O)N[C@H](CO)CC(C)(C)C)c(Cl)c1 CC(C)(C)C[*:1] COc1ccc(CC(=O)N[C@H](CO)[*:1])c(Cl)c1
COc1ccc(CC(=O)N[C@H](CO)CC(C)(C)C)c(Cl)c1 CC(C)(C)[*:1] COc1ccc(CC(=O)N[C@H](CO)C[*:1])c(Cl)c1
CNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CNC(=O)CN1CCN(CC1)C(=O)CCC(=O)[*:1]
CNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1 CNC(=O)[*:1] O=C(CCC(=O)N1CCN(CC1)C[*:1])c1ccc(Cl)cc1
CNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1 CNC(=O)C[*:1] O=C(CCC(=O)N1CCN(CC1)[*:1])c1ccc(Cl)cc1
COC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCOCC1 COC1(CCOCC1)[*:1] O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[*:1]
COC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCOCC1 O=[N+]([O-])[*:1] COC1(CCOCC1)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[*:1]
O=C(COc1ccccc1-c1ccccc1)NCc1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] O=C(COc1ccccc1-c1ccccc1)NC[*:1]
O=C(COc1ccccc1-c1ccccc1)NCc1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] O=C(COc1ccccc1[*:1])NCc1nc2ccccc2[nH]1
Cc1c(CC(=O)NCCCn2ccnc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 c1cn(cn1)C[*:1] Cc1c(CC(=O)NCC[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
Cc1c(CC(=O)NCCCn2ccnc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 c1cn(cn1)CC[*:1] Cc1c(CC(=O)NC[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
Cc1c(CC(=O)NCCCn2ccnc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 c1cn(cn1)[*:1] Cc1c(CC(=O)NCCC[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
Cc1c(CC(=O)NCCCn2ccnc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 c1cn(cn1)CCC[*:1] Cc1c(CC(=O)N[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
O=C(CN1CC[NH+](CC(=O)NC2CC2)CC1)Nc1ccc(I)cc1 O=C(C[*:1])NC1CC1 O=C(CN1CC[NH+](CC1)[*:1])Nc1ccc(I)cc1
O=C(CN1CC[NH+](CC(=O)NC2CC2)CC1)Nc1ccc(I)cc1 C1CC1[*:1] O=C(CN1CC[NH+](CC1)CC(=O)N[*:1])Nc1ccc(I)cc1
O=C(CN1CC[NH+](CC(=O)NC2CC2)CC1)Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N[*:1])NC1CC1
O=C(CN1CC[NH+](CC(=O)NC2CC2)CC1)Nc1ccc(I)cc1 O=C(NC1CC1)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])Nc1ccc(I)cc1
O=C(CCOc1ccc(F)cc1)NCc1nnc2ccccn12 Fc1ccc(cc1)[*:1] O=C(CCO[*:1])NCc1nnc2ccccn12
COc1ccc(C(C)(C)C)cc1CC(=O)[O-] O=C([O-])[*:1] COc1ccc(cc1C[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1CC(=O)[O-] CC(C)(C)[*:1] COc1ccc(cc1CC(=O)[O-])[*:1]
COc1ccc(C(C)(C)C)cc1CC(=O)[O-] O=C([O-])C[*:1] COc1ccc(cc1[*:1])C(C)(C)C
CC(C)c1nsc(N2CCC(CS(N)(=O)=O)CC2)n1 NS(=O)(=O)[*:1] CC(C)c1nsc(n1)N1CCC(CC1)C[*:1]
CC(C)c1nsc(N2CCC(CS(N)(=O)=O)CC2)n1 CC(C)[*:1] NS(=O)(=O)CC1CCN(CC1)c1nc(ns1)[*:1]
CC(C)c1nsc(N2CCC(CS(N)(=O)=O)CC2)n1 NS(=O)(=O)C[*:1] CC(C)c1nsc(n1)N1CCC(CC1)[*:1]
Cc1ccc(N)c(N[C@H](C)[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1ccc(N)c(c1)N[C@H](C)[*:1]
CN(CC(C)(C)C)c1nc(C2CC2)no1 CC(C)(C)[*:1] CN(C[*:1])c1nc(no1)C1CC1
CN(CC(C)(C)C)c1nc(C2CC2)no1 CC(C)(C)C[*:1] CN(c1nc(no1)C1CC1)[*:1]
CN(CC(C)(C)C)c1nc(C2CC2)no1 C1CC1[*:1] CN(CC(C)(C)C)c1nc(no1)[*:1]
NC(=O)CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 NC(=O)CCO[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1)c1cccc(Cl)c1
NC(=O)CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 NC(=O)CC[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@H]1CC(=O)N(C1)c1cccc(Cl)c1
NC(=O)CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 Clc1cccc(c1)[*:1] NC(=O)CCOc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
NC(=O)CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)OCC[*:1])[C@H]1CC(=O)N(C1)c1cccc(Cl)c1
NC(=O)CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 NC(=O)C[*:1] O=C(Nc1ccc(cc1)OC[*:1])[C@H]1CC(=O)N(C1)c1cccc(Cl)c1
CC(C)CCOc1cccc(CN2CCC[C@@H](C[NH3+])C2)c1 CC(C)[*:1] [NH3+]C[C@@H]1CCCN(Cc2cccc(c2)OCC[*:1])C1
CC(C)CCOc1cccc(CN2CCC[C@@H](C[NH3+])C2)c1 CC(C)CCO[*:1] [NH3+]C[C@@H]1CCCN(Cc2cccc(c2)[*:1])C1
CC(C)CCOc1cccc(CN2CCC[C@@H](C[NH3+])C2)c1 CC(C)CC[*:1] [NH3+]C[C@@H]1CCCN(Cc2cccc(c2)O[*:1])C1
CC(C)CCOc1cccc(CN2CCC[C@@H](C[NH3+])C2)c1 CC(C)C[*:1] [NH3+]C[C@@H]1CCCN(Cc2cccc(c2)OC[*:1])C1
Cc1cccc(-c2noc(CN(C)C(=O)[C@@H]3C[C@H]4C=C[C@@H]3C4)n2)c1 Cc1cccc(c1)[*:1] CN(Cc1nc(no1)[*:1])C(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2
O=C(CC[NH2+]C1CC(c2ccc(F)cc2)C1)NC1CC1 O=C(NC1CC1)[*:1] Fc1ccc(cc1)C1CC(C1)[NH2+]CC[*:1]
O=C(CC[NH2+]C1CC(c2ccc(F)cc2)C1)NC1CC1 C1CC1[*:1] O=C(CC[NH2+]C1CC(C1)c1ccc(F)cc1)N[*:1]
CCC[NH2+]CC/C=C(/C)c1cccnc1 CCC[*:1] C/C(=C/CC[NH2+][*:1])c1cccnc1
CC1(C)C[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)c2ccc(F)cc2O1 C1CCC(C1)[*:1] CC1(C)C[C@H]([NH2+]Cc2ccn(n2)[*:1])c2ccc(F)cc2O1
Cc1n[nH]c2cc(NC(=O)c3ccc(C(=O)NC4CC4)cc3)ccc12 O=C(NC1CC1)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)c1ccc(cc1)[*:1]
Cc1n[nH]c2cc(NC(=O)c3ccc(C(=O)NC4CC4)cc3)ccc12 C1CC1[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)c1ccc(cc1)C(=O)N[*:1]
O=C(NCCCN1CCCC1=O)c1cc2scnc2[nH]1 O=C1CCCN1[*:1] O=C(NCCC[*:1])c1cc2scnc2[nH]1
CC(C)NC(=O)c1ccc(NC(=O)N2CCNC(=O)C2)cc1 CC(C)[*:1] O=C1CN(CCN1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)c1ccc(NC(=O)N2CCNC(=O)C2)cc1 CC(C)NC(=O)[*:1] O=C1CN(CCN1)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc2sc([C@@H](c3ccc(F)cc3)[NH+]3CCC4(CC3)OCCO4)c([O-])n2n1 Fc1ccc(cc1)[*:1] Cc1nc2sc(c([O-])n2n1)[C@@H]([NH+]1CCC2(CC1)OCCO2)[*:1]
CS(=O)(=O)N[C@H](c1ccc(F)cc1)c1cccnc1 CS(=O)(=O)N[*:1] Fc1ccc(cc1)[C@H](c1cccnc1)[*:1]
CS(=O)(=O)N[C@H](c1ccc(F)cc1)c1cccnc1 c1cncc(c1)[*:1] CS(=O)(=O)N[C@H](c1ccc(F)cc1)[*:1]
C[C@@H]1OCCN(C[C@@H]2C[C@@H]2c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] C[C@@H]1OCCN(C[C@@H]2C[C@H]2[*:1])[C@@H]1C
C/[NH+]=C(/NCc1ccnn1C)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 Cn1nccc1[*:1] C/[NH+]=C(\NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)NC[*:1]
C/[NH+]=C(/NCc1ccnn1C)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 Cn1nccc1C[*:1] C/[NH+]=C(\NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)N[*:1]
CC(C)[C@@](O)(C(=O)[O-])C1CCCCCC1 CC(C)[*:1] O=C([O-])[C@](O)(C1CCCCCC1)[*:1]
CC(C)[C@@](O)(C(=O)[O-])C1CCCCCC1 O=C([O-])[*:1] CC(C)[C@@](O)(C1CCCCCC1)[*:1]
CCNS(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccccc2C(N)=O)c1 CCNS(=O)(=O)[*:1] COc1ccc(cc1C(=O)Nc1ccccc1C(N)=O)[*:1]
CCNS(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccccc2C(N)=O)c1 NC(=O)[*:1] CCNS(=O)(=O)c1ccc(OC)c(c1)C(=O)Nc1ccccc1[*:1]
O=C(c1cccc(Br)c1)N(CC[NH+]1CCOCC1)c1nc2ccc(Cl)cc2s1 Brc1cccc(c1)[*:1] O=C(N(CC[NH+]1CCOCC1)c1nc2ccc(Cl)cc2s1)[*:1]
C[C@H]1CCC[C@@]2(CC1)C[NH+]=C(N)N2C1CCCC1 C1CCC(C1)[*:1] C[C@H]1CCC[C@@]2(CC1)C[NH+]=C(N)N2[*:1]
CC(C)COc1cc(Br)ccn1 CC(C)[*:1] Brc1ccnc(c1)OC[*:1]
CC(C)COc1cc(Br)ccn1 CC(C)C[*:1] Brc1ccnc(c1)O[*:1]
C=C1CC[C@@H](OC(C)=O)[C@@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@@]12O CC(=O)O[*:1] C=C1CC[C@@H]([C@@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@@]12O)[*:1]
CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(C(N)=O)CC2)C1(C)C NC(=O)[*:1] CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(CC2)[*:1])C1(C)C
CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(C(N)=O)CC2)C1(C)C CC(C)=C[*:1] CC1(C)[C@H](C(=O)N2CCC(CC2)C(N)=O)[C@H]1[*:1]
CNC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)c(OC)c2)cc1Cl CNC(=O)[*:1] COc1cc(ccc1OC(C)C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CNC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)c(OC)c2)cc1Cl CC(C)O[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)c1ccc(c(c1)OC)[*:1]
CNC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)c(OC)c2)cc1Cl CC(C)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)c1ccc(O[*:1])c(c1)OC
C=CCN(CC(=O)[O-])C(=O)[C@@H]1[C@H](C)[C@H](C)O[C@@H]1C C=CC[*:1] C[C@@H]1O[C@H](C)[C@H](C(=O)N(CC(=O)[O-])[*:1])[C@@H]1C
C=CCN(CC(=O)[O-])C(=O)[C@@H]1[C@H](C)[C@H](C)O[C@@H]1C O=C([O-])[*:1] C=CCN(C[*:1])C(=O)[C@@H]1[C@H](C)[C@H](C)O[C@@H]1C
C=CCN(CC(=O)[O-])C(=O)[C@@H]1[C@H](C)[C@H](C)O[C@@H]1C O=C([O-])C[*:1] C=CCN(C(=O)[C@@H]1[C@H](C)[C@H](C)O[C@@H]1C)[*:1]
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N(C)C
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(Br)cc1 CN(C)S(=O)(=O)[*:1] COc1ccc(cc1NC(=O)c1ccc(Br)cc1)[*:1]
CC[C@@H](NC(=O)N1CCO[C@H](c2cccc(O)c2)C1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)N1CCO[C@@H](C1)c1cccc(O)c1)[*:1]
CC[C@@H](NC(=O)N1CCO[C@H](c2cccc(O)c2)C1)c1ccc(C)c(F)c1 Oc1cccc(c1)[*:1] CC[C@@H](NC(=O)N1CCO[C@H](C1)[*:1])c1ccc(C)c(F)c1
CO[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)Nc1nc2CC[C@@H](Cc2s1)c1ccccc1)[*:1]
CO[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccccc1 CO[C@@H](c1ccccc1)[*:1] O=C(Nc1nc2CC[C@@H](Cc2s1)c1ccccc1)[*:1]
CO[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)Nc1nc2CC[C@H](Cc2s1)[*:1])c1ccccc1
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1 c1coc(c1)[*:1] CNC(=O)c1ccc(cc1)CN(C[*:1])C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1 c1coc(c1)C[*:1] CNC(=O)c1ccc(cc1)CN(C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1 CNC(=O)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N(Cc1ccc(cc1)[*:1])Cc1ccco1
Cc1cccc(OCCNC(=O)CSc2nncs2)c1 c1nnc(S[*:1])s1 Cc1cccc(c1)OCCNC(=O)C[*:1]
Cc1cccc(OCCNC(=O)CSc2nncs2)c1 c1nnc(s1)[*:1] Cc1cccc(c1)OCCNC(=O)CS[*:1]
CC[C@H](NC(=O)c1ccc(C)nc1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](NC(=O)c1ccc(C)nc1)[*:1]
CCN(CC(=O)Nc1c(C)cccc1C)[C@@H](C)CN1CCOCC1 C1CN(CCO1)[*:1] CCN(CC(=O)Nc1c(C)cccc1C)[C@@H](C)C[*:1]
CCN(CC(=O)Nc1c(C)cccc1C)[C@@H](C)CN1CCOCC1 C1CN(CCO1)C[*:1] CCN(CC(=O)Nc1c(C)cccc1C)[C@@H](C)[*:1]
CCN(CC(=O)Nc1c(C)cccc1C)[C@@H](C)CN1CCOCC1 Cc1cccc(C)c1[*:1] CCN(CC(=O)N[*:1])[C@@H](C)CN1CCOCC1
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1[*:1])N1CCOCC1
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(OC)cc1 C1CN(CCO1)[*:1] COC(=O)c1cc(ccc1NC(=O)c1ccc(cc1)OC)[*:1]
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)c1cc(ccc1NC(=O)[*:1])N1CCOCC1
NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)cs1 NC(=O)[*:1] O=S(=O)(NCCc1ccccc1)c1csc(c1)[*:1]
NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)cs1 c1ccc(cc1)[*:1] NC(=O)c1cc(cs1)S(=O)(=O)NCC[*:1]
COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1C[C@@H](C)O[C@H](C)C1 COC(=O)[*:1] COc1cccc2[nH]c(c(NC(=O)CCN3C[C@@H](C)O[C@H](C)C3)c12)[*:1]
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 N#Cc1ccc(c(F)c1)[*:1] CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCCN(C1)[*:1]
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 CC(C)(C)[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@H](C1)NC(=O)[C@@H]1CSCN1C(=O)[*:1]
CNC(=O)c1ccc(Cl)cc1NCC(=O)N(C)C1CCC(C)CC1 CC1CCC(CC1)[*:1] CNC(=O)c1ccc(Cl)cc1NCC(=O)N(C)[*:1]
CNC(=O)c1ccc(Cl)cc1NCC(=O)N(C)C1CCC(C)CC1 CNC(=O)[*:1] CC1CCC(CC1)N(C)C(=O)CNc1cc(Cl)ccc1[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)Nc2ccc3c(c2)COC3)C1 COC(=O)[*:1] O=C(Nc1ccc2COCc2c1)N1CC[C@](F)(C1)[*:1]
C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-n2ccnc2)cc1 Fc1ccccc1[*:1] C[C@@H](N[C@@H]1CCN(C1=O)[*:1])c1ccc(cc1)-n1ccnc1
C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](N[C@@H]1CCN(C1=O)c1ccccc1F)c1ccc(cc1)[*:1]
O=C(Cc1ccc(NCc2ccon2)cc1)N1CCSCC1 c1cc(CN[*:1])no1 O=C(Cc1ccc(cc1)[*:1])N1CCSCC1
O=C(Cc1ccc(NCc2ccon2)cc1)N1CCSCC1 c1cc(C[*:1])no1 O=C(Cc1ccc(cc1)N[*:1])N1CCSCC1
O=C(Cc1ccc(NCc2ccon2)cc1)N1CCSCC1 c1cc(no1)[*:1] O=C(Cc1ccc(cc1)NC[*:1])N1CCSCC1
CC[C@@H](C)NC(=O)CCNC(=O)Nc1cc(-c2ncco2)ccc1C CC[C@@H](C)[*:1] Cc1ccc(cc1NC(=O)NCCC(=O)N[*:1])-c1ncco1
CC[C@@H](C)NC(=O)CCNC(=O)Nc1cc(-c2ncco2)ccc1C CC[C@@H](C)NC(=O)C[*:1] Cc1ccc(cc1NC(=O)NC[*:1])-c1ncco1
CC[C@@H](C)NC(=O)CCNC(=O)Nc1cc(-c2ncco2)ccc1C CC[C@@H](C)NC(=O)[*:1] Cc1ccc(cc1NC(=O)NCC[*:1])-c1ncco1
CC[C@@H](C)NC(=O)CCNC(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] CC[C@@H](C)NC(=O)CCNC(=O)Nc1cc(ccc1C)[*:1]
CCCCc1nnc(SCC(=O)Nc2ncc(Br)cc2Br)[nH]1 CCC[*:1] O=C(CSc1nnc(C[*:1])[nH]1)Nc1ncc(Br)cc1Br
CCCCc1nnc(SCC(=O)Nc2ncc(Br)cc2Br)[nH]1 CCCC[*:1] O=C(CSc1nnc([nH]1)[*:1])Nc1ncc(Br)cc1Br
Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2)cccc1N(C)S(C)(=O)=O Fc1ccc(cc1)[*:1] Cc1c(cccc1N(C)S(C)(=O)=O)C(=O)N[C@@H](C)[*:1]
Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2)cccc1N(C)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] Cc1c(cccc1[*:1])C(=O)N[C@@H](C)c1ccc(F)cc1
O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(Nc1cccc(F)c1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1F
COC(=O)c1cccc(CCNC(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 COC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])N[C@H]1C[C@@H]1c1ccccc1
COC(=O)c1cccc(CCNC(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COC(=O)c1cccc(c1)CCNC(=O)N[C@H]1C[C@H]1[*:1]
Cc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)[nH]n1 Cc1cc([nH]n1)[*:1] Cc1nn(CC(=O)N[*:1])c(C)c1[N+](=O)[O-]
Cc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)[nH]n1 O=[N+]([O-])[*:1] Cc1cc(NC(=O)Cn2nc(C)c(c2C)[*:1])[nH]n1
O=C(Nc1ccccc1F)C(=O)N1CCN(c2cccc[nH+]2)CC1 Fc1ccccc1[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)c1cccc[nH+]1
Cc1ccc(NC(=O)[C@@H](C)n2cccn2)cc1S(=O)(=O)NC1CC1 O=S(=O)(NC1CC1)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H](C)n1cccn1
Cc1ccc(NC(=O)[C@@H](C)n2cccn2)cc1S(=O)(=O)NC1CC1 C1CC1[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])NC(=O)[C@@H](C)n1cccn1
Cc1ccc(NC(=O)[C@@H](C)n2cccn2)cc1S(=O)(=O)NC1CC1 c1cnn(c1)[*:1] Cc1ccc(cc1S(=O)(=O)NC1CC1)NC(=O)[C@@H](C)[*:1]
CN(Cc1ncnn1C)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C Cn1ncnc1C[*:1] CN(C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)[*:1]
CN(Cc1ncnn1C)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C Cn1ncnc1[*:1] CN(C[*:1])C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C
CN(Cc1ncnn1C)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(Cc1ncnn1C)C(=O)[C@@H]1CCCCN1C(=O)O[*:1]
COc1ccc(CC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)C[*:1])N1CCOCC1
COc1ccc(CC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1OC C1CN(CCO1)[*:1] COc1ccc(cc1OC)CC(=O)Nc1ccc2[nH+]c(cc(C)c2c1)[*:1]
CN(CC(=O)NC[C@H](O)c1c(F)cccc1F)C(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)NC[C@H](O)c1c(F)cccc1F)C(=O)[*:1]
CN(CC(=O)NC[C@H](O)c1c(F)cccc1F)C(=O)c1cccs1 Fc1cccc(F)c1[*:1] CN(CC(=O)NC[C@H](O)[*:1])C(=O)c1cccs1
c1cnc(Nc2cccc(OC[C@@H]3CCCO3)c2)nc1 c1cnc(nc1)[*:1] c1cc(cc(c1)OC[C@@H]1CCCO1)N[*:1]
c1cnc(Nc2cccc(OC[C@@H]3CCCO3)c2)nc1 C1CO[C@@H](C1)C[*:1] c1cnc(nc1)Nc1cccc(c1)O[*:1]
c1cnc(Nc2cccc(OC[C@@H]3CCCO3)c2)nc1 C1CO[C@@H](C1)[*:1] c1cnc(nc1)Nc1cccc(c1)OC[*:1]
CCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2cccc(OC)c21 c1ccc(cc1)[*:1] CCn1/c(=N/C(=O)CS(=O)(=O)[*:1])sc2cccc(OC)c21
CC(C)Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)N1CC[C@@H](C1)[NH+](C)C)C[*:1]
CC(C)Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)n(C)n1 CC(C)C[*:1] Cn1nc(cc1C(=O)N1CC[C@@H](C1)[NH+](C)C)[*:1]
Cn1cc(-c2ccn(Cc3ccc(C(=O)[O-])cc3)n2)cn1 Cn1cc(cn1)[*:1] O=C([O-])c1ccc(cc1)Cn1ccc(n1)[*:1]
Cn1cc(-c2ccn(Cc3ccc(C(=O)[O-])cc3)n2)cn1 O=C([O-])[*:1] Cn1cc(cn1)-c1ccn(Cc2ccc(cc2)[*:1])n1
CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3(C#N)CCCCC3)c2)CC1 N#CC1(CCCCC1)[*:1] CCN1CCN(CC1)S(=O)(=O)c1cccc(c1)NC(=O)[*:1]
CC[C@H]1CN(CC(=O)NCCOC)CCO1 COCC[*:1] CC[C@H]1CN(CCO1)CC(=O)N[*:1]
CC[C@H]1CN(CC(=O)NCCOC)CCO1 COC[*:1] CC[C@H]1CN(CCO1)CC(=O)NC[*:1]
Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(F)c4)C3)ccc21 Fc1cccc(c1)C[*:1] Cn1ccc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(F)c4)C3)ccc21 Fc1cccc(c1)[*:1] Cn1ccc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(F)c4)C3)ccc21 Cn1ccc2cc(ccc21)[*:1] O=C(NCc1cccc(F)c1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCC(=O)Nc1ccc(NC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)cc1 CCC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
CCCCOC(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 CCC[*:1] O=C(OC[*:1])N1CCc2c(C1)nc([nH]c2=O)-c1ccncc1
CCCCOC(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 c1cc(ccn1)[*:1] CCCCOC(=O)N1CCc2c(C1)nc([nH]c2=O)[*:1]
CCCCOC(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 CCCC[*:1] O=C(O[*:1])N1CCc2c(C1)nc([nH]c2=O)-c1ccncc1
O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(CC[C@H]1N=C(O)N(C[*:1])C1=O)NCc1cccc(Cl)c1
O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NC[*:1]
O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)N[*:1]
O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCc1cccc(Cl)c1 c1ccc(cc1)C[*:1] O=C(CC[C@H]1N=C(O)N(C1=O)[*:1])NCc1cccc(Cl)c1
CCN(C(=O)C[C@@H](O)c1ccc(Cl)cc1)[C@H]1CC([O-])=NC1=O Clc1ccc(cc1)[*:1] CCN(C(=O)C[C@@H](O)[*:1])[C@H]1CC([O-])=NC1=O
C[C@@H](CCCl)S(=O)(=O)c1ncnc2c1CCCCC2 ClCC[*:1] C[C@@H](S(=O)(=O)c1ncnc2CCCCCc21)[*:1]
Cc1nncn1-c1cccc(NC(=O)Cc2cccnc2)c1 c1cncc(c1)[*:1] Cc1nncn1-c1cccc(c1)NC(=O)C[*:1]
Cc1nncn1-c1cccc(NC(=O)Cc2cccnc2)c1 c1cncc(c1)C[*:1] Cc1nncn1-c1cccc(c1)NC(=O)[*:1]
Cc1nncn1-c1cccc(NC(=O)Cc2cccnc2)c1 Cc1nncn1[*:1] O=C(Cc1cccnc1)Nc1cccc(c1)[*:1]
C/C=C/C=C/C(=O)Nc1ccnn1Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C/C=C/C=C/C(=O)Nc1ccnn1C[*:1]
C/C=C/C=C/C(=O)Nc1ccnn1Cc1ccc(Br)cc1 C/C=C/C=C[*:1] O=C(Nc1ccnn1Cc1ccc(Br)cc1)[*:1]
C/C=C/C=C/C(=O)Nc1ccnn1Cc1ccc(Br)cc1 CC=C[*:1] O=C(C=C[*:1])Nc1ccnn1Cc1ccc(Br)cc1
Cc1ccc(CNC(=O)[C@]2(C)Cn3nc(C(=O)NCCc4cccc(C)c4)cc3C(=O)N2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)CCNC(=O)c1cc2C(=O)N(C)[C@@](C)(Cn2n1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)[C@]2(C)Cn3nc(C(=O)NCCc4cccc(C)c4)cc3C(=O)N2C)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)CNC(=O)[C@]1(C)Cn2nc(cc2C(=O)N1C)C(=O)NCC[*:1]
Cc1ccc(CNC(=O)[C@]2(C)Cn3nc(C(=O)NCCc4cccc(C)c4)cc3C(=O)N2C)cc1 Cc1cccc(c1)CC[*:1] Cc1ccc(cc1)CNC(=O)[C@]1(C)Cn2nc(cc2C(=O)N1C)C(=O)N[*:1]
Cc1ccc(CNC(=O)[C@]2(C)Cn3nc(C(=O)NCCc4cccc(C)c4)cc3C(=O)N2C)cc1 Cc1ccc(cc1)CNC(=O)[*:1] Cc1cccc(c1)CCNC(=O)c1cc2C(=O)N(C)[C@](C)(Cn2n1)[*:1]
Cc1ccc(CNC(=O)[C@]2(C)Cn3nc(C(=O)NCCc4cccc(C)c4)cc3C(=O)N2C)cc1 Cc1ccc(cc1)C[*:1] Cc1cccc(c1)CCNC(=O)c1cc2C(=O)N(C)[C@@](C)(Cn2n1)C(=O)N[*:1]
Cc1ccc(CNC(=O)[C@]2(C)Cn3nc(C(=O)NCCc4cccc(C)c4)cc3C(=O)N2C)cc1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1)CNC(=O)[C@]1(C)Cn2nc(cc2C(=O)N1C)C(=O)NC[*:1]
CN1C(=O)C[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1[*:1]
CN1C(=O)C[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 N#Cc1cccc(c1)[*:1] CN1C(=O)C[C@H](NC(=O)NC[*:1])[C@@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 N#Cc1cccc(c1)C[*:1] CN1C(=O)C[C@H](NC(=O)N[*:1])[C@@H]1c1ccc(Cl)cc1
Cc1noc(C)c1CCCNC(=O)NOCc1ccccc1 c1ccc(cc1)C[*:1] Cc1noc(C)c1CCCNC(=O)NO[*:1]
Cc1noc(C)c1CCCNC(=O)NOCc1ccccc1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])NOCc1ccccc1
Cc1noc(C)c1CCCNC(=O)NOCc1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1CCCNC(=O)NOC[*:1]
Cc1cc(C(=O)[O-])ccc1NCCCC(=O)NC1CC1 C1CC1[*:1] Cc1cc(ccc1NCCCC(=O)N[*:1])C(=O)[O-]
Cc1cc(C(=O)[O-])ccc1NCCCC(=O)NC1CC1 O=C([O-])[*:1] Cc1cc(ccc1NCCCC(=O)NC1CC1)[*:1]
Cc1cc(C(=O)[O-])ccc1NCCCC(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1cc(ccc1NCCC[*:1])C(=O)[O-]
Cc1cnc(NC[C@@H](c2ccccn2)N2CCOCC2)nc1-c1ncnn1C Cn1ncnc1[*:1] Cc1cnc(nc1[*:1])NC[C@@H](c1ccccn1)N1CCOCC1
Cc1cnc(NC[C@@H](c2ccccn2)N2CCOCC2)nc1-c1ncnn1C C1CN(CCO1)[*:1] Cc1cnc(nc1-c1ncnn1C)NC[C@@H](c1ccccn1)[*:1]
Cc1cnc(NC[C@@H](c2ccccn2)N2CCOCC2)nc1-c1ncnn1C c1ccc(nc1)[*:1] Cc1cnc(nc1-c1ncnn1C)NC[C@@H](N1CCOCC1)[*:1]
C#Cc1cc(F)c(NC(=O)NCc2cccc(-c3ccccn3)c2)c(F)c1 c1ccc(nc1)[*:1] C#Cc1cc(F)c(NC(=O)NCc2cccc(c2)[*:1])c(F)c1
Cc1ccc(C(=O)N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C1)[*:1]
Cc1ccc(C(=O)N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCC(=O)N(C[*:1])[C@H](C1)C(C)C
Cc1ccc(C(=O)N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)N1CCC(=O)N([C@H](C1)C(C)C)[*:1]
Cc1ccc(C(=O)N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H]1CN(CCC(=O)N1Cc1ccc(F)cc1)C(=O)[*:1]
C[C@@H](C1CC1)N(C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)[C@H]1CCCN(C1)C(=O)COc1ccccc1)[*:1]
C[C@@H](C1CC1)N(C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)C1CC1 c1ccc(cc1)O[*:1] C[C@@H](C1CC1)N(C(=O)[C@H]1CCCN(C1)C(=O)C[*:1])C1CC1
C[C@@H](C1CC1)N(C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)C1CC1 c1ccc(cc1)OC[*:1] C[C@@H](C1CC1)N(C(=O)[C@H]1CCCN(C1)C(=O)[*:1])C1CC1
C[C@@H](C1CC1)N(C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)[C@H]1CCCN(C1)C(=O)COc1ccccc1)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)C1CC1 c1ccc(cc1)[*:1] C[C@@H](C1CC1)N(C(=O)[C@H]1CCCN(C1)C(=O)CO[*:1])C1CC1
CCC[NH2+][C@@H](Cc1cc(C)ccc1C)[C@H]1CN(C)CCO1 CCC[*:1] Cc1ccc(C)c(c1)C[C@H]([NH2+][*:1])[C@H]1CN(C)CCO1
CCCc1ccc(O[C@H]2CCC[C@@](CO)([NH2+]CC)C2)cc1 CCC[*:1] CC[NH2+][C@]1(CO)CCC[C@@H](C1)Oc1ccc(cc1)[*:1]
CCCN(C)[C@@H]1COc2ccccc2[C@@H]1[NH3+] CCCN(C)[*:1] [NH3+][C@H]1c2ccccc2OC[C@H]1[*:1]
CCCN(C)[C@@H]1COc2ccccc2[C@@H]1[NH3+] CCC[*:1] CN([C@@H]1COc2ccccc2[C@@H]1[NH3+])[*:1]
Cc1ccccc1CC(C)(C)NC(=O)CSCC(F)(F)F FC(F)(F)[*:1] Cc1ccccc1CC(C)(C)NC(=O)CSC[*:1]
Cc1ccccc1CC(C)(C)NC(=O)CSCC(F)(F)F FC(F)(F)CSC[*:1] Cc1ccccc1CC(C)(C)NC(=O)[*:1]
Cc1ccccc1CC(C)(C)NC(=O)CSCC(F)(F)F Cc1ccccc1[*:1] CC(C)(C[*:1])NC(=O)CSCC(F)(F)F
Cc1ccccc1CC(C)(C)NC(=O)CSCC(F)(F)F FC(F)(F)CS[*:1] Cc1ccccc1CC(C)(C)NC(=O)C[*:1]
Cc1ccccc1CC(C)(C)NC(=O)CSCC(F)(F)F FC(F)(F)C[*:1] Cc1ccccc1CC(C)(C)NC(=O)CS[*:1]
Cc1cccc(-c2cncc(C(=O)NCc3csc(=O)[nH]3)c2)c1 O=c1[nH]c(cs1)[*:1] Cc1cccc(c1)-c1cncc(c1)C(=O)NC[*:1]
Cc1cccc(-c2cncc(C(=O)NCc3csc(=O)[nH]3)c2)c1 O=c1[nH]c(cs1)C[*:1] Cc1cccc(c1)-c1cncc(c1)C(=O)N[*:1]
Cc1cccc(-c2cncc(C(=O)NCc3csc(=O)[nH]3)c2)c1 Cc1cccc(c1)[*:1] O=C(NCc1csc(=O)[nH]1)c1cncc(c1)[*:1]
CCCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C CCC[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N(C[C@@H]1COc2ccccc2O1)[*:1]
O=C(NCc1ccccc1)N[C@@H]1CCC[C@@H](O)C1 c1ccc(cc1)[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@@H](O)C1
Cc1nc2sc3c(c2c2nc(CCC(=O)[O-])nn12)[C@@H](C)CCC3 O=C([O-])C[*:1] Cc1nc2sc3CCC[C@H](C)c3c2c2nc(C[*:1])nn12
Cc1nc2sc3c(c2c2nc(CCC(=O)[O-])nn12)[C@@H](C)CCC3 O=C([O-])[*:1] Cc1nc2sc3CCC[C@H](C)c3c2c2nc(CC[*:1])nn12
Cc1nc2sc3c(c2c2nc(CCC(=O)[O-])nn12)[C@@H](C)CCC3 O=C([O-])CC[*:1] Cc1nc2sc3CCC[C@H](C)c3c2c2nc(nn12)[*:1]
CO[C@H]1CCC[C@H]1n1c([C@@H](C)Cl)nc2ccc(C)cc21 C[C@@H](Cl)[*:1] CO[C@H]1CCC[C@H]1n1c(nc2ccc(C)cc21)[*:1]
Cc1cc(CN(C)C(=O)/C=C/c2ccc3c(c2)OCO3)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)/C=C/c1ccc2OCOc2c1
Cc1cc(CN(C)C(=O)/C=C/c2ccc3c(c2)OCO3)no1 Cc1cc(C[*:1])no1 CN(C(=O)/C=C/c1ccc2OCOc2c1)[*:1]
C#CCOc1cccc(NC(=O)c2ccccc2Oc2cccnc2)c1 c1cncc(c1)O[*:1] C#CCOc1cccc(c1)NC(=O)c1ccccc1[*:1]
C#CCOc1cccc(NC(=O)c2ccccc2Oc2cccnc2)c1 C#CC[*:1] O=C(Nc1cccc(c1)O[*:1])c1ccccc1Oc1cccnc1
C#CCOc1cccc(NC(=O)c2ccccc2Oc2cccnc2)c1 c1cncc(c1)[*:1] C#CCOc1cccc(c1)NC(=O)c1ccccc1O[*:1]
C#CCOc1cccc(NC(=O)c2ccccc2Oc2cccnc2)c1 C#CCO[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1Oc1cccnc1
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)C1 Fc1ccccc1[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N1CCC(CC1)NC(=O)[*:1]
O=C(Nc1ccc(C(=O)N2Cc3nc(-c4ccccc4)sc3C2)cc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1Cc2nc(sc2C1)-c1ccccc1
O=C(Nc1ccc(C(=O)N2Cc3nc(-c4ccccc4)sc3C2)cc1)c1ccccn1 O=C(N[*:1])c1ccccn1 O=C(c1ccc(cc1)[*:1])N1Cc2nc(sc2C1)-c1ccccc1
O=C(Nc1ccc(C(=O)N2Cc3nc(-c4ccccc4)sc3C2)cc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(=O)N1Cc2nc(sc2C1)[*:1])c1ccccn1
CC[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O N#Cc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(C[C@@H](O)CO[*:1])C1=O)c1ccc(F)cc1
CC[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O N#Cc1ccc(cc1)O[*:1] CC[C@@]1(NC(=O)N(C[C@@H](O)C[*:1])C1=O)c1ccc(F)cc1
CC[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O Fc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O)[*:1]
Cc1ccc([C@@H](c2c(C)n[nH]c2[O-])c2c(C)[nH][nH]c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1n[nH]c([O-])c1[C@@H](c1c(C)[nH][nH]c1=O)[*:1]
Cc1ccc([C@@H](c2c(C)n[nH]c2[O-])c2c(C)[nH][nH]c2=O)cc1 Cc1[nH][nH]c(=O)c1[*:1] Cc1ccc(cc1)[C@@H](c1c(C)n[nH]c1[O-])[*:1]
Cc1ncc([C@@H](C)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)s1 Cc1ncc(s1)[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@H](C)[*:1])C1
Cc1ncc([C@@H](C)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)s1 Cc1ncc(s1)[C@@H](C)[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[*:1])C1
Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N([C@@H](C)C(=O)N2CCCC2)C(=O)CO3)c1 O=C(N1CCCC1)[*:1] Cc1ccc(C)c(c1)OCC(=O)c1ccc2OCC(=O)N(c2c1)[C@@H](C)[*:1]
Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N([C@@H](C)C(=O)N2CCCC2)C(=O)CO3)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H](C(=O)N1CCCC1)N1C(=O)COc2ccc(cc21)C(=O)CO[*:1]
Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N([C@@H](C)C(=O)N2CCCC2)C(=O)CO3)c1 Cc1ccc(C)c(c1)O[*:1] C[C@@H](C(=O)N1CCCC1)N1C(=O)COc2ccc(cc21)C(=O)C[*:1]
Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N([C@@H](C)C(=O)N2CCCC2)C(=O)CO3)c1 Cc1ccc(C)c(c1)OC[*:1] C[C@@H](C(=O)N1CCCC1)N1C(=O)COc2ccc(cc21)C(=O)[*:1]
Cc1nc(C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)n[nH]1 c1cc(ccn1)[*:1] Cc1nc(n[nH]1)C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
Cc1nc(C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)n[nH]1 Cc1nc(n[nH]1)[*:1] c1cc(cc(c1)-c1ccncc1)C[NH+]1CCC(CC1)[*:1]
CC(C)Oc1ccc([C@H](O)[C@@H](F)C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)Oc1ccc(cc1)[C@H](O)[C@@H](F)[*:1]
CC(C)Oc1ccc([C@H](O)[C@@H](F)C(=O)[O-])cc1 CC(C)O[*:1] O=C([O-])[C@H](F)[C@@H](O)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@H](O)[C@@H](F)C(=O)[O-])cc1 CC(C)[*:1] O=C([O-])[C@H](F)[C@@H](O)c1ccc(cc1)O[*:1]
Cc1cc(Cl)c([O-])c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cc(Cl)c([O-])c(c1C)[*:1]
CC[C@@H](C)CN(CC)C(=O)c1cc(Br)cnc1N CC[C@@H](C)C[*:1] CCN(C(=O)c1cc(Br)cnc1N)[*:1]
CC[C@@H](C)CN(CC)C(=O)c1cc(Br)cnc1N CC[C@@H](C)[*:1] CCN(C[*:1])C(=O)c1cc(Br)cnc1N
CN(Cc1cccnc1)C(=O)c1ccc2c(c1)CCC2 c1cncc(c1)[*:1] CN(C[*:1])C(=O)c1ccc2CCCc2c1
COc1cccc(NC(=O)Cc2ccc3nc(NC(=O)C(C)C)sc3c2)c1 CC(C)C(=O)N[*:1] COc1cccc(c1)NC(=O)Cc1ccc2nc(sc2c1)[*:1]
COc1cccc(NC(=O)Cc2ccc3nc(NC(=O)C(C)C)sc3c2)c1 COc1cccc(c1)[*:1] CC(C)C(=O)Nc1nc2ccc(cc2s1)CC(=O)N[*:1]
COc1cccc(NC(=O)Cc2ccc3nc(NC(=O)C(C)C)sc3c2)c1 CC(C)[*:1] COc1cccc(c1)NC(=O)Cc1ccc2nc(NC(=O)[*:1])sc2c1
CC[C@H]1CCCC[C@]12C(=N)NC(=O)N2CCOC COCC[*:1] CC[C@H]1CCCC[C@]12C(=N)NC(=O)N2[*:1]
CC[C@H]1CCCC[C@]12C(=N)NC(=O)N2CCOC COC[*:1] CC[C@H]1CCCC[C@]12C(=N)NC(=O)N2C[*:1]
Cc1occc1C(=O)NC1CC[NH+](Cn2nc(-c3ccccc3)oc2=S)CC1 Cc1occc1[*:1] O=C(NC1CC[NH+](CC1)Cn1nc(oc1=S)-c1ccccc1)[*:1]
Cc1occc1C(=O)NC1CC[NH+](Cn2nc(-c3ccccc3)oc2=S)CC1 c1ccc(cc1)[*:1] Cc1occc1C(=O)NC1CC[NH+](CC1)Cn1nc(oc1=S)[*:1]
Cc1occc1C(=O)NC1CC[NH+](Cn2nc(-c3ccccc3)oc2=S)CC1 Cc1occc1C(=O)N[*:1] S=c1oc(nn1C[NH+]1CCC(CC1)[*:1])-c1ccccc1
Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1F)C(=O)N2Cc1ccccc1F Fc1ccccc1[*:1] Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1F)C(=O)N2C[*:1]
Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1F)C(=O)N2Cc1ccccc1F Fc1ccccc1C[*:1] Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1F)C(=O)N2[*:1]
Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1F)C(=O)N2Cc1ccccc1F Fc1ccccc1[*:1] Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)[*:1])C(=O)N2Cc1ccccc1F
CC(=O)N1c2ccccc2C[C@H]1C(=O)OC[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)OC[C@@H]1CC(=O)N(C1)[*:1]
CC[C@H]1CCc2sc(C(=O)N/N=C/c3csc(C)n3)cc2C1 Cc1nc(cs1)[*:1] CC[C@H]1CCc2sc(cc2C1)C(=O)NN=C[*:1]
CCN1CCOc2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc2C1=O Cc1ccc(cc1Cl)[*:1] CCN1CCOc2ccc(cc2C1=O)NS(=O)(=O)[*:1]
C[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1cnc(s1)[*:1]
O=C(Nc1ccccc1C(=O)NCC(F)(F)F)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 FC(F)(F)C[*:1] O=C(Nc1ccccc1C(=O)N[*:1])C1CCC(=O)N(Cc2ccc(F)cc2)N=1
O=C(Nc1ccccc1C(=O)NCC(F)(F)F)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 FC(F)(F)[*:1] O=C(Nc1ccccc1C(=O)NC[*:1])C1CCC(=O)N(Cc2ccc(F)cc2)N=1
O=C(Nc1ccccc1C(=O)NCC(F)(F)F)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 O=C(NCC(F)(F)F)[*:1] O=C(Nc1ccccc1[*:1])C1CCC(=O)N(Cc2ccc(F)cc2)N=1
O=C(Nc1ccccc1C(=O)NCC(F)(F)F)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)NCC(F)(F)F)C1CCC(=O)N(C[*:1])N=1
O=C(Nc1ccccc1C(=O)NCC(F)(F)F)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccccc1C(=O)NCC(F)(F)F)C1CCC(=O)N(N=1)[*:1]
COCC[NH2+]C/C=C/c1ccc(-c2ccc(F)cc2)o1 COCC[*:1] Fc1ccc(cc1)-c1ccc(/C=C/C[NH2+][*:1])o1
COCC[NH2+]C/C=C/c1ccc(-c2ccc(F)cc2)o1 COC[*:1] Fc1ccc(cc1)-c1ccc(/C=C/C[NH2+]C[*:1])o1
CC(=O)/C=C/c1c[nH]c2ccccc12 CC(=O)[*:1] C(=C[*:1])c1c[nH]c2ccccc12
CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 CC(C)[*:1] C[C@@H]1CC[C@@H]([C@@H](C1)[NH2+]CC1CCS(=O)(=O)CC1)[*:1]
Cc1ccc(N2N[C@@H](N3CCN(C(=O)[C@@H]4C=c5cc(Cl)ccc5=[NH+]4)CC3)C=CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C([C@@H]1C=c2cc(Cl)ccc2=[NH+]1)N1CCN(CC1)[C@H]1C=CC(=O)N(N1)[*:1]
CC(C)[C@@H](CO)NC(=O)[C@@H](C)NC(N)=O NC(=O)N[*:1] CC(C)[C@@H](CO)NC(=O)[C@@H](C)[*:1]
CC(C)[C@@H](CO)NC(=O)[C@@H](C)NC(N)=O CC(C)[*:1] C[C@@H](NC(N)=O)C(=O)N[C@H](CO)[*:1]
CC(=O)N(Cc1ccc(NC(=O)N(C)C2CCCCCC2)cc1)C1CC1 CC(=O)N(C1CC1)[*:1] CN(C(=O)Nc1ccc(cc1)C[*:1])C1CCCCCC1
CC(=O)N(Cc1ccc(NC(=O)N(C)C2CCCCCC2)cc1)C1CC1 C1CCCC(CC1)[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)N(C)[*:1])C1CC1
CC(=O)N(Cc1ccc(NC(=O)N(C)C2CCCCCC2)cc1)C1CC1 CC(=O)N(C[*:1])C1CC1 CN(C(=O)Nc1ccc(cc1)[*:1])C1CCCCCC1
CC(=O)N(Cc1ccc(NC(=O)N(C)C2CCCCCC2)cc1)C1CC1 C1CC1[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)N(C)C1CCCCCC1)[*:1]
Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)c1ccc(F)cc1
Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)c(F)c1 Fc1ccc(cc1)[*:1] Cc1ccc(NC(=O)C(=O)N2CCN(CC2)[*:1])c(F)c1
CC(C)CC(C)(C)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 CC(C)C[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)C(C)(C)[*:1]
CC(C)CC(C)(C)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 CC(C)CC(C)(C)[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)CC(C)(C)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 CC(C)[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)C(C)(C)C[*:1]
CC(C)CC(C)(C)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 CC(C)[*:1] CC(C)CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)CC(C)(C)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] CC(C)CC(C)(C)C(=O)Nc1ccc(cc1)[*:1]
CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCCc2c1cnn2CC CCN(CC)C(=O)[*:1] CCn1ncc2c1CCC[C@H]2[NH2+][C@H](C)[*:1]
Cc1ccsc1CN(C)C(=O)c1cccc(-c2ccoc2)c1 Cc1ccsc1C[*:1] CN(C(=O)c1cccc(c1)-c1ccoc1)[*:1]
Cc1ccsc1CN(C)C(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] Cc1ccsc1CN(C)C(=O)c1cccc(c1)[*:1]
Cc1ccsc1CN(C)C(=O)c1cccc(-c2ccoc2)c1 Cc1ccsc1[*:1] CN(C[*:1])C(=O)c1cccc(c1)-c1ccoc1
COc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCCc4ccccc4)=NC(=O)[C@@H]32)cc1 COc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])[C@H]2C(=O)N=C(N=C2N1)SCCc1ccccc1
COc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCCc4ccccc4)=NC(=O)[C@@H]32)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)SC[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCCc4ccccc4)=NC(=O)[C@@H]32)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)S[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCCc4ccccc4)=NC(=O)[C@@H]32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)SCC[*:1]
Cc1cccc(C)c1NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1-c1ccccc1 Cc1cccc(C)c1[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1nnnn1-c1ccccc1
Cc1cccc(C)c1NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4ncsc4c3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2ncsc2c1)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4ncsc4c3)CC2)cc1 c1nc2ccc(cc2s1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CSc1nnc(Sc2nccc(C(F)(F)F)n2)s1 FC(F)(F)[*:1] CSc1nnc(Sc2nccc(n2)[*:1])s1
C#CCOc1ccccc1CN(C)C(=O)N[C@H]1CCSc2ccc(C)cc21 C#CC[*:1] Cc1ccc2SCC[C@H](NC(=O)N(C)Cc3ccccc3O[*:1])c2c1
C#CCOc1ccccc1CN(C)C(=O)N[C@H]1CCSc2ccc(C)cc21 C#CCO[*:1] Cc1ccc2SCC[C@H](NC(=O)N(C)Cc3ccccc3[*:1])c2c1
CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@H]1[NH2+][C@@H](C)[*:1])C(=O)C1CC1
CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 C1CC1[*:1] CC[C@@H]1CN(CC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)[*:1]
CN(C)C(=O)Cc1ccc(NCc2cc(F)ccc2Br)cc1 CN(C)C(=O)C[*:1] Fc1ccc(Br)c(c1)CNc1ccc(cc1)[*:1]
CN(C)C(=O)Cc1ccc(NCc2cc(F)ccc2Br)cc1 CN(C)C(=O)[*:1] Fc1ccc(Br)c(c1)CNc1ccc(cc1)C[*:1]
COC(=O)[C@]1(C)C[C@H](C(=O)[O-])[C@H](c2ccccc2F)N1C O=C([O-])[*:1] COC(=O)[C@]1(C)C[C@H]([C@H](c2ccccc2F)N1C)[*:1]
COC(=O)[C@]1(C)C[C@H](C(=O)[O-])[C@H](c2ccccc2F)N1C Fc1ccccc1[*:1] COC(=O)[C@]1(C)C[C@H](C(=O)[O-])[C@H](N1C)[*:1]
COC(=O)[C@]1(C)C[C@H](C(=O)[O-])[C@H](c2ccccc2F)N1C COC(=O)[*:1] CN1[C@@H](c2ccccc2F)[C@H](C[C@]1(C)[*:1])C(=O)[O-]
Cn1ncnc1CCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C Cn1ncnc1[*:1] CC(C)(C)[C@@H](NC(=O)NCC[*:1])c1ccccc1
Cn1ncnc1CCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C Cn1ncnc1C[*:1] CC(C)(C)[C@@H](NC(=O)NC[*:1])c1ccccc1
Cn1ncnc1CCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C CC(C)(C)[*:1] Cn1ncnc1CCNC(=O)N[C@@H](c1ccccc1)[*:1]
Cn1ncnc1CCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C c1ccc(cc1)[*:1] Cn1ncnc1CCNC(=O)N[C@@H](C(C)(C)C)[*:1]
O=C([C@@H]1CCC[NH2+]CC1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C([C@@H]1CCC[NH2+]CC1)N1CCC(CC1)c1n[nH]c(=O)n1[*:1]
O=C([C@@H]1CCC[NH2+]CC1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1CCC[NH2+]CC1)N1CCC(CC1)c1n[nH]c(=O)n1C[*:1]
CC(C)c1c(C(=O)N2CCCC2)cnn1-c1cccc(Cl)c1 O=C(N1CCCC1)[*:1] CC(C)c1c(cnn1-c1cccc(Cl)c1)[*:1]
CC(C)c1c(C(=O)N2CCCC2)cnn1-c1cccc(Cl)c1 CC(C)[*:1] O=C(c1cnn(-c2cccc(Cl)c2)c1[*:1])N1CCCC1
CC(C)c1c(C(=O)N2CCCC2)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)c1c(cnn1[*:1])C(=O)N1CCCC1
C[C@@H](CCc1ccccc1)NC(=O)CNC(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)CNC(=O)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)CNC(=O)c1cccc(Cl)c1 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)CNC(=O)c1cccc(Cl)c1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)CNC(=O)c1cccc(Cl)c1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)CNC(=O)c1cccc(Cl)c1
C[C@@H](CCc1ccccc1)NC(=O)CNC(=O)c1cccc(Cl)c1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)CNC(=O)c1cccc(Cl)c1
COc1ccccc1NC(=O)N1CCOC[C@@H]1CC(C)C CC(C)[*:1] COc1ccccc1NC(=O)N1CCOC[C@@H]1C[*:1]
COc1ccccc1NC(=O)N1CCOC[C@@H]1CC(C)C CC(C)C[*:1] COc1ccccc1NC(=O)N1CCOC[C@H]1[*:1]
CN(Cc1ccc(Br)cc1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 O=C(N[*:1])[C@H]1CCCO1 CN(Cc1ccc(Br)cc1)C(=O)c1cccc(c1)[*:1]
CN(Cc1ccc(Br)cc1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 Brc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)NC(=O)[C@H]1CCCO1
CN(Cc1ccc(Br)cc1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 Brc1ccc(cc1)C[*:1] CN(C(=O)c1cccc(c1)NC(=O)[C@H]1CCCO1)[*:1]
Cc1cccnc1CNC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O Cc1cccnc1C[*:1] CN(CC(=O)N[*:1])c1ccc(cc1C=O)C(F)(F)F
Cc1cccnc1CNC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O Cc1cccnc1[*:1] CN(CC(=O)NC[*:1])c1ccc(cc1C=O)C(F)(F)F
Cc1cccnc1CNC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O FC(F)(F)[*:1] Cc1cccnc1CNC(=O)CN(C)c1ccc(cc1C=O)[*:1]
O=C(c1cc[n+]([O-])cc1)N1CCc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2C1 [O-][n+]1ccc(cc1)[*:1] O=C(Nc1ccc2CCN(Cc2c1)C(=O)[*:1])C1(CC1)c1ccccc1
O=C(c1cc[n+]([O-])cc1)N1CCc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2C1 c1ccc(cc1)[*:1] O=C(c1cc[n+]([O-])cc1)N1CCc2ccc(cc2C1)NC(=O)C1(CC1)[*:1]
O=C(c1cc[n+]([O-])cc1)N1CCc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2C1 c1ccc(cc1)C1(CC1)[*:1] O=C(c1cc[n+]([O-])cc1)N1CCc2ccc(cc2C1)NC(=O)[*:1]
COC(=O)c1ccc(NCC(=O)Nc2ccc(C(C)C)cc2)cc1 CC(C)[*:1] COC(=O)c1ccc(cc1)NCC(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NCC(=O)Nc2ccc(C(C)C)cc2)cc1 COC(=O)[*:1] CC(C)c1ccc(cc1)NC(=O)CNc1ccc(cc1)[*:1]
Cc1nc(C(C)(C)NC(=O)c2ccn(-c3ccccc3F)n2)sc1C Fc1ccccc1[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)c1ccn(n1)[*:1]
Cc1nc(C(C)(C)NC(=O)c2ccn(-c3ccccc3F)n2)sc1C Cc1nc(sc1C)[*:1] CC(C)(NC(=O)c1ccn(n1)-c1ccccc1F)[*:1]
COC1CC[NH+](CCNC(=O)Cc2ccc(-n3cnnn3)cc2)CC1 c1nnnn1[*:1] COC1CC[NH+](CCNC(=O)Cc2ccc(cc2)[*:1])CC1
CCCc1noc(C[NH+]2CCC(NC(=O)c3ccc(C)o3)CC2)n1 Cc1ccc(o1)[*:1] CCCc1noc(C[NH+]2CCC(CC2)NC(=O)[*:1])n1
CCCc1noc(C[NH+]2CCC(NC(=O)c3ccc(C)o3)CC2)n1 CCCc1noc(n1)[*:1] Cc1ccc(o1)C(=O)NC1CC[NH+](CC1)C[*:1]
CCCc1noc(C[NH+]2CCC(NC(=O)c3ccc(C)o3)CC2)n1 CCC[*:1] Cc1ccc(o1)C(=O)NC1CC[NH+](CC1)Cc1nc(no1)[*:1]
Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCC[C@@H]3c3ccccc3)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)c(C)n1[*:1]
Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCC[C@@H]3c3ccccc3)c2C)no1 c1ccc(cc1)[*:1] Cc1cc(no1)-n1c(C)cc(/C=C/C(=O)N2CCC[C@H]2[*:1])c1C
Cc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2nccs2)c1C c1csc(n1)[*:1] Cc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(c1C)[*:1]
Cc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2nccs2)c1C Cc1noc(C)c1[*:1] Cc1cc(C(=O)COC(=O)[*:1])c(C)n1-c1nccs1
CCn1c(S[C@@H](C)C(=O)c2ccccc2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1-c1ccccc1)S[C@@H](C)C(=O)[*:1]
CCn1c(S[C@@H](C)C(=O)c2ccccc2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])S[C@@H](C)C(=O)c1ccccc1
CCn1c(S[C@@H](C)C(=O)c2ccccc2)nnc1-c1ccccc1 O=C(c1ccccc1)[*:1] CCn1c(nnc1-c1ccccc1)S[C@@H](C)[*:1]
CC(C)NC(=O)N1CCC[NH+](Cc2ccccn2)CC1 CC(C)[*:1] O=C(N[*:1])N1CCC[NH+](CC1)Cc1ccccn1
CC(C)NC(=O)N1CCC[NH+](Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CC(C)NC(=O)N1CCC[NH+](CC1)C[*:1]
CCOc1cc(CNC(=O)N2CCC[C@@H](C)CC2)ccn1 CCO[*:1] C[C@@H]1CCCN(CC1)C(=O)NCc1ccnc(c1)[*:1]
CS(=O)(=O)NCc1ccc(-c2nc(-c3ccsc3)no2)o1 c1cc(cs1)[*:1] CS(=O)(=O)NCc1ccc(o1)-c1nc(no1)[*:1]
CS(=O)(=O)NCc1ccc(-c2nc(-c3ccsc3)no2)o1 CS(=O)(=O)N[*:1] c1cc(cs1)-c1noc(n1)-c1ccc(C[*:1])o1
CS(=O)(=O)NCc1ccc(-c2nc(-c3ccsc3)no2)o1 CS(=O)(=O)NC[*:1] c1cc(cs1)-c1noc(n1)-c1ccc(o1)[*:1]
CC(=O)c1ccccc1OCCOCCCl ClCCO[*:1] CC(=O)c1ccccc1OCC[*:1]
CC(=O)c1ccccc1OCCOCCCl ClCC[*:1] CC(=O)c1ccccc1OCCO[*:1]
CC(=O)c1ccccc1OCCOCCCl ClCCOC[*:1] CC(=O)c1ccccc1OC[*:1]
CC(=O)c1ccccc1OCCOCCCl CC(=O)[*:1] ClCCOCCOc1ccccc1[*:1]
O=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCC2(CC1)SCC(=O)N2[*:1]
O=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1 FC(F)(F)[*:1] O=C(c1cccc(c1)[*:1])N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
O=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1 FC(F)(F)c1cccc(c1)[*:1] O=C1CSC2(CCN(CC2)C(=O)[*:1])N1c1ccc(F)cc1
CCOc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C(=O)N[C@@H](C)c1ccc2OCCOc2c1
O=C(COc1cccc(Br)c1)N/N=C/c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(COc1cccc(Br)c1)N/N=C/c1ccc(s1)[*:1]
O=C(COc1cccc(Br)c1)N/N=C/c1ccc([N+](=O)[O-])s1 Brc1cccc(c1)[*:1] O=C(CO[*:1])N/N=C/c1ccc(s1)[N+](=O)[O-]
CC(C)c1ccc(NC(=O)C2CC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CC1
CC(C)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc2c(CCNC(=O)N(C3CC3)[C@H](C)c3ccco3)c[nH]c2c1 C1CC1[*:1] Cc1ccc2c(c[nH]c2c1)CCNC(=O)N([C@H](C)c1ccco1)[*:1]
Cc1ccc2c(CCNC(=O)N(C3CC3)[C@H](C)c3ccco3)c[nH]c2c1 c1coc(c1)[*:1] Cc1ccc2c(c[nH]c2c1)CCNC(=O)N(C1CC1)[C@H](C)[*:1]
O=C(CCOC[C@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 C1CO[C@H](C1)[*:1] O=C(CCOC[*:1])Nc1ccc(Cl)c(Cl)c1
O=C(CCOC[C@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 C1CO[C@H](C1)C[*:1] O=C(CCO[*:1])Nc1ccc(Cl)c(Cl)c1
Cc1ccc(-n2cnnc2SCC(=O)N2C[C@H](C)OCC2(C)C)cc1C Cc1ccc(cc1C)[*:1] C[C@H]1CN(C(=O)CSc2nncn2[*:1])C(C)(C)CO1
CCn1ncc2c(C(=O)N[C@@H](C)C(C)C)cc(-c3cccs3)nc21 CC(C)[C@H](C)[*:1] CCn1ncc2c(cc(nc21)-c1cccs1)C(=O)N[*:1]
CCn1ncc2c(C(=O)N[C@@H](C)C(C)C)cc(-c3cccs3)nc21 CC(C)[*:1] CCn1ncc2c(cc(nc21)-c1cccs1)C(=O)N[C@@H](C)[*:1]
CCn1ncc2c(C(=O)N[C@@H](C)C(C)C)cc(-c3cccs3)nc21 CC(C)[C@H](C)NC(=O)[*:1] CCn1ncc2c(cc(nc21)-c1cccs1)[*:1]
CCn1ncc2c(C(=O)N[C@@H](C)C(C)C)cc(-c3cccs3)nc21 c1csc(c1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)N[C@@H](C)C(C)C
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(C#N)cn2C)c1 CC[C@H](C)[*:1] Cn1cc(C#N)cc1C(=O)NCc1cccc(c1)NC(=O)[*:1]
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(C#N)cn2C)c1 CC[C@H](C)C(=O)N[*:1] Cn1cc(C#N)cc1C(=O)NCc1cccc(c1)[*:1]
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(C#N)cn2C)c1 Cn1cc(C#N)cc1[*:1] CC[C@H](C)C(=O)Nc1cccc(c1)CNC(=O)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)C4=CCCC4)CC3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)C(=O)C1=CCCC1
CCCc1noc(CS(=O)(=O)Cc2nc(-c3cccs3)no2)n1 c1csc(c1)[*:1] CCCc1noc(CS(=O)(=O)Cc2nc(no2)[*:1])n1
CCCc1noc(CS(=O)(=O)Cc2nc(-c3cccs3)no2)n1 CCC[*:1] O=S(=O)(Cc1nc(no1)-c1cccs1)Cc1nc(no1)[*:1]
COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(F)c1 O=C(N[*:1])c1cccc(F)c1 COc1ccccc1NC(=O)c1oc2ccccc2c1[*:1]
COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)[*:1]
COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(F)c1 COc1ccccc1[*:1] O=C(Nc1c(oc2ccccc12)C(=O)N[*:1])c1cccc(F)c1
Cc1csc([C@H](C)NC(=O)c2cccc(Br)n2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)c1cccc(Br)n1)[*:1]
O=C1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccs3)CC2)N1 c1csc(c1)[*:1] O=C1CC[C@H](N1)C(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
O=C1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccs3)CC2)N1 O=C1CC[C@@H](N1)[*:1] O=C([C@@H]1C[C@H]1c1cccs1)N1CCN(CC1)C(=O)[*:1]
CCN(C(=O)N[C@H]1CCCc2ccc(F)cc21)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(C(=O)N[C@H]1CCCc2ccc(F)cc21)[C@@H](C)[*:1]
CCN(C(=O)N[C@H]1CCCc2ccc(F)cc21)[C@@H](C)CS(C)(=O)=O C[C@@H](CS(C)(=O)=O)[*:1] CCN(C(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
CCN(C(=O)N[C@H]1CCCc2ccc(F)cc21)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(C(=O)N[C@H]1CCCc2ccc(F)cc21)[C@@H](C)C[*:1]
CN(Cc1ccccc1)C(=O)Cn1cnc2c(cnn2C)c1=O c1ccc(cc1)[*:1] CN(C[*:1])C(=O)Cn1cnc2c(cnn2C)c1=O
CN(Cc1ccccc1)C(=O)Cn1cnc2c(cnn2C)c1=O c1ccc(cc1)C[*:1] CN(C(=O)Cn1cnc2c(cnn2C)c1=O)[*:1]
CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1 C1CCC(CC1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(C)[*:1]
CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1 CC(=O)N[*:1] CN(C(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1])C1CCCCC1
C=CCNC(=S)NCCc1ccccc1 C=CC[*:1] S=C(NCCc1ccccc1)N[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(N)=O CC[C@@H](C)[*:1] NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)[*:1]
Cc1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1O N#Cc1ccc(c(F)c1)[*:1] Cc1ccc(cc1O)CC(=O)N[C@@H]1CCCN(C1)[*:1]
Cc1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1O Cc1ccc(cc1O)[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@H](C1)NC(=O)C[*:1]
Cc1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1O Cc1ccc(cc1O)C[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@H](C1)NC(=O)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 CCS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(I)c1
CCS(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 Ic1cccc(c1)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CCOc1ccc(NC(=O)c2csc(-c3cnccn3)n2)cc1Cl CCO[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1csc(n1)-c1cnccn1
CCOc1ccc(NC(=O)c2csc(-c3cnccn3)n2)cc1Cl c1cnc(cn1)[*:1] CCOc1ccc(cc1Cl)NC(=O)c1csc(n1)[*:1]
O=S(=O)(c1ccc(NC2CCCC2)nc1)N1CCCC1 C1CCC(C1)[*:1] O=S(=O)(c1ccc(nc1)N[*:1])N1CCCC1
O=S(=O)(c1ccc(NC2CCCC2)nc1)N1CCCC1 C1CCC(C1)N[*:1] O=S(=O)(c1ccc(nc1)[*:1])N1CCCC1
CCOC(=O)[C@H]1CC[C@H](NC(=O)N2CCC(OCc3ccccc3C)CC2)C1 CCOC(=O)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)N[C@H]1CC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CC[C@H](NC(=O)N2CCC(OCc3ccccc3C)CC2)C1 Cc1ccccc1[*:1] CCOC(=O)[C@H]1CC[C@@H](C1)NC(=O)N1CCC(CC1)OC[*:1]
CCOC(=O)[C@H]1CC[C@H](NC(=O)N2CCC(OCc3ccccc3C)CC2)C1 Cc1ccccc1CO[*:1] CCOC(=O)[C@H]1CC[C@@H](C1)NC(=O)N1CCC(CC1)[*:1]
CCOC(=O)[C@H]1CC[C@H](NC(=O)N2CCC(OCc3ccccc3C)CC2)C1 Cc1ccccc1C[*:1] CCOC(=O)[C@H]1CC[C@@H](C1)NC(=O)N1CCC(CC1)O[*:1]
CC(C)C[C@@H]1COCCN1CCC(=O)N1CCCCC1 CC(C)[*:1] O=C(CCN1CCOC[C@H]1C[*:1])N1CCCCC1
CC(C)C[C@@H]1COCCN1CCC(=O)N1CCCCC1 CC(C)C[*:1] O=C(CCN1CCOC[C@H]1[*:1])N1CCCCC1
CCOC(=O)COc1cccc(NC(=O)c2ccc(C)nc2)c1 CCOC(=O)CO[*:1] Cc1ccc(cn1)C(=O)Nc1cccc(c1)[*:1]
CCOC(=O)COc1cccc(NC(=O)c2ccc(C)nc2)c1 Cc1ccc(cn1)[*:1] CCOC(=O)COc1cccc(c1)NC(=O)[*:1]
CCOC(=O)COc1cccc(NC(=O)c2ccc(C)nc2)c1 CCOC(=O)[*:1] Cc1ccc(cn1)C(=O)Nc1cccc(c1)OC[*:1]
CCOC(=O)COc1cccc(NC(=O)c2ccc(C)nc2)c1 CCOC(=O)C[*:1] Cc1ccc(cn1)C(=O)Nc1cccc(c1)O[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)c1 Cc1cccc(c1)[*:1] O=C(c1cc(no1)-c1ccccc1F)N1CCC[C@H]1[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)c1 Fc1ccccc1[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)c1cc(no1)[*:1]
Cc1csc(N2CCCN(C(=O)CN3CSCC3=O)CC2)n1 O=C1CSCN1[*:1] Cc1csc(n1)N1CCCN(CC1)C(=O)C[*:1]
Cc1csc(N2CCCN(C(=O)CN3CSCC3=O)CC2)n1 O=C1CSCN1C[*:1] Cc1csc(n1)N1CCCN(CC1)C(=O)[*:1]
Cc1csc(N2CCCN(C(=O)CN3CSCC3=O)CC2)n1 Cc1csc(n1)[*:1] O=C(CN1CSCC1=O)N1CCCN(CC1)[*:1]
COc1ccc2c(c1)=C(CCN/C(=N\C(C)=O)Nc1nc(C)cc(C)n1)C[NH+]=2 Cc1cc(C)nc(n1)[*:1] COc1ccc2=[NH+]CC(CCN/C(=N\C(C)=O)N[*:1])=c2c1
CC(C)Oc1ccc(CNc2ncc(C(N)=O)cc2Cl)cn1 CC(C)O[*:1] NC(=O)c1cnc(NCc2ccc(nc2)[*:1])c(Cl)c1
CC(C)Oc1ccc(CNc2ncc(C(N)=O)cc2Cl)cn1 NC(=O)[*:1] CC(C)Oc1ccc(cn1)CNc1ncc(cc1Cl)[*:1]
CC(C)Oc1ccc(CNc2ncc(C(N)=O)cc2Cl)cn1 CC(C)[*:1] NC(=O)c1cnc(NCc2ccc(nc2)O[*:1])c(Cl)c1
Cc1ccc(NCc2nnc(C3CC3)o2)c(OCC(F)(F)F)c1 FC(F)(F)C[*:1] Cc1ccc(NCc2nnc(o2)C2CC2)c(c1)O[*:1]
Cc1ccc(NCc2nnc(C3CC3)o2)c(OCC(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(NCc2nnc(o2)C2CC2)c(c1)OC[*:1]
Cc1ccc(NCc2nnc(C3CC3)o2)c(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] Cc1ccc(NCc2nnc(o2)C2CC2)c(c1)[*:1]
Cc1ccc(NCc2nnc(C3CC3)o2)c(OCC(F)(F)F)c1 C1CC1[*:1] Cc1ccc(NCc2nnc(o2)[*:1])c(c1)OCC(F)(F)F
O=C([O-])[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 O=C([O-])[*:1] C1=CC[C@@H](c2nc3ccccc3s2)[C@H](C1)[*:1]
COc1nc2c(cc1CNC(=O)[C@H]([NH3+])CO)C(=O)N(C1CCCC1)C2 C1CCC(C1)[*:1] COc1nc2CN(C(=O)c2cc1CNC(=O)[C@H]([NH3+])CO)[*:1]
Cc1csc(SCc2ccccc2C(=O)O[C@@H]2CCCCC2=O)n1 Cc1csc(n1)[*:1] O=C(O[C@@H]1CCCCC1=O)c1ccccc1CS[*:1]
Cc1csc(SCc2ccccc2C(=O)O[C@@H]2CCCCC2=O)n1 Cc1csc(n1)S[*:1] O=C(O[C@@H]1CCCCC1=O)c1ccccc1C[*:1]
Cc1csc(SCc2ccccc2C(=O)O[C@@H]2CCCCC2=O)n1 Cc1csc(n1)SC[*:1] O=C(O[C@@H]1CCCCC1=O)c1ccccc1[*:1]
Cc1ccc(C2=NO[C@H](CC3(C(=O)NC[C@H](C)O)CCOCC3)C2)cc1 C[C@H](O)CNC(=O)[*:1] Cc1ccc(cc1)C1C[C@@H](CC2(CCOCC2)[*:1])ON=1
Cc1ccc(C2=NO[C@H](CC3(C(=O)NC[C@H](C)O)CCOCC3)C2)cc1 C[C@H](O)[*:1] Cc1ccc(cc1)C1C[C@@H](CC2(CCOCC2)C(=O)NC[*:1])ON=1
Cc1ccc(C2=NO[C@H](CC3(C(=O)NC[C@H](C)O)CCOCC3)C2)cc1 C[C@H](O)C[*:1] Cc1ccc(cc1)C1C[C@@H](CC2(CCOCC2)C(=O)N[*:1])ON=1
Cc1ccc(C2=NO[C@H](CC3(C(=O)NC[C@H](C)O)CCOCC3)C2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O)CNC(=O)C1(CCOCC1)C[C@@H]1CC(=NO1)[*:1]
COC[C@H]1CN(c2ccc(Cl)cn2)CCO1 COC[*:1] Clc1ccc(nc1)N1CCO[C@H](C1)[*:1]
CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1C c1cc(ccn1)[*:1] CCOc1ccc(cc1C)S(=O)(=O)NC[*:1]
CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1C c1cc(ccn1)C[*:1] CCOc1ccc(cc1C)S(=O)(=O)N[*:1]
CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)NCc1ccncc1
CCOc1ccc2[nH]c3c(N4CCC5(CC4)OCCO5)ncnc3c2c1 CCO[*:1] c1nc(c2[nH]c3ccc(cc3c2n1)[*:1])N1CCC2(CC1)OCCO2
CC(C)(C)c1nn(Cc2cccc(F)c2)c(N)c1Br CC(C)(C)[*:1] Nc1c(Br)c(nn1Cc1cccc(F)c1)[*:1]
COc1ccc(NC(=O)c2sc3nc(C)nc(N4CCCC[C@@H]4C)c3c2C)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1nc(c2c(C)c(sc2n1)C(=O)N[*:1])N1CCCC[C@@H]1C
C[C@@H](CNC(=O)Cc1ccc(F)cc1F)C(=O)[O-] O=C([O-])[*:1] C[C@@H](CNC(=O)Cc1ccc(F)cc1F)[*:1]
Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ncccc4n4cccc34)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nc2ncccc2n2cccc12
Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ncccc4n4cccc34)C2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2ncccc2n2cccc12
CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] CC(C)(C)C(=O)Nc1ccccc1C(=O)N[*:1]
CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl CC(C)(C)[*:1] O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1NC(=O)[*:1]
CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl CC(C)(C)C(=O)N[*:1] O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1[*:1]
CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)c2ccco2)CC1=O CC(C)C[*:1] O=C(c1ccco1)N1CC(=O)N(C[C@H](C1)OCc1ccccc1F)[*:1]
CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)c2ccco2)CC1=O Fc1ccccc1CO[*:1] CC(C)CN1C[C@@H](CN(CC1=O)C(=O)c1ccco1)[*:1]
CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)c2ccco2)CC1=O c1coc(c1)[*:1] CC(C)CN1C[C@H](CN(CC1=O)C(=O)[*:1])OCc1ccccc1F
CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)c2ccco2)CC1=O Fc1ccccc1C[*:1] CC(C)CN1C[C@H](CN(CC1=O)C(=O)c1ccco1)O[*:1]
CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)c2ccco2)CC1=O Fc1ccccc1[*:1] CC(C)CN1C[C@H](CN(CC1=O)C(=O)c1ccco1)OC[*:1]
CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)c2ccco2)CC1=O CC(C)[*:1] O=C1CN(C[C@@H](CN1C[*:1])OCc1ccccc1F)C(=O)c1ccco1
CC[C@H](C)N(C)C(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)N(C)C(=O)N1[C@H]2CCCC[C@@H]2CC[C@H]1[*:1]
CC[C@H](C)N(C)C(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-] CC[C@H](C)[*:1] CN(C(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-])[*:1]
Cc1ccc([C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)N(C)C)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)[C@H](C(=O)N1CCC(O)(CC1)[*:1])N(C)C
Cc1ccc([C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)N(C)C)cc1 Cc1ccc(cc1)[*:1] CN(C)[C@@H](C(=O)N1CCC(O)(CC1)c1cccnc1)[*:1]
Cc1ccc([C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)N(C)C)cc1 CN(C)[*:1] Cc1ccc(cc1)[C@H](C(=O)N1CCC(O)(CC1)c1cccnc1)[*:1]
COC(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12 C1CCC(CC1)[*:1] COC(=O)c1cn(CC(=O)N[*:1])c2ccccc12
COC(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12 COC(=O)[*:1] O=C(Cn1cc(c2ccccc21)[*:1])NC1CCCCC1
O=C(NCCC(=O)N1CCCC1)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=C(NCCC(=O)N1CCCC1)c1cccc(c1)[*:1]
O=C(NCCC(=O)N1CCCC1)c1cccc(-n2cnnn2)c1 O=C(N1CCCC1)[*:1] O=C(NCC[*:1])c1cccc(c1)-n1cnnn1
CCOc1ccccc1CNC(=O)C1=C(C)C(=O)OC12CCCCCC2 CCO[*:1] CC1C(=O)OC2(CCCCCC2)C=1C(=O)NCc1ccccc1[*:1]
COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)nn1 COc1ccc(nn1)[*:1] Cc1ccc(cc1)Cc1nnc(NC(=O)[*:1])s1
COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)nn1 Cc1ccc(cc1)C[*:1] COc1ccc(nn1)C(=O)Nc1nnc(s1)[*:1]
COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)nn1 Cc1ccc(cc1)[*:1] COc1ccc(nn1)C(=O)Nc1nnc(C[*:1])s1
C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(cc1)C(=O)N(C)[*:1]
OCC#Cc1cccc(CSc2cccc(F)c2)c1 OCC#C[*:1] Fc1cccc(c1)SCc1cccc(c1)[*:1]
Cn1ncnc1CNC(=O)N[C@@H]1CCCc2ccccc21 Cn1ncnc1[*:1] O=C(NC[*:1])N[C@@H]1CCCc2ccccc21
Cn1ncnc1CNC(=O)N[C@@H]1CCCc2ccccc21 Cn1ncnc1C[*:1] O=C(N[C@@H]1CCCc2ccccc21)N[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)CC(C)C CCC[*:1] Cc1ccc(C(=O)N[C@@H](C)CC(C)C)c(c1)N[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)CC(C)C CC(C)C[*:1] CCCNc1cc(C)ccc1C(=O)N[C@@H](C)[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)CC(C)C CC(C)C[C@H](C)[*:1] CCCNc1cc(C)ccc1C(=O)N[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)CC(C)C CCCN[*:1] Cc1ccc(C(=O)N[C@@H](C)CC(C)C)c(c1)[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)CC(C)C CC(C)[*:1] CCCNc1cc(C)ccc1C(=O)N[C@@H](C)C[*:1]
Cc1sc(NC(=O)C[S@](=O)c2ccc(F)cc2)c(C)c1C Fc1ccc(cc1)[*:1] Cc1sc(NC(=O)C[S@](=O)[*:1])c(C)c1C
CC(C)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 CC(C)c1cccc(c1)[*:1] O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N[*:1]
CC(C)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 c1cncc(c1)[*:1] CC(C)c1cccc(c1)NC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
CC(C)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 CC(C)[*:1] O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1cccc(c1)[*:1]
CC(C)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)c1cccc(c1)NC(=O)CSc1nnc(-c2cccnc2)n1[*:1]
CCN(Cc1ccc(Br)s1)C(=O)CC1([NH3+])CCC1 Brc1ccc(s1)[*:1] CCN(C[*:1])C(=O)CC1([NH3+])CCC1
CCC[C@H](COC)N1CCC(=O)N2CCCC[C@H]2C1=O CCC[*:1] COC[C@H](N1CCC(=O)N2CCCC[C@H]2C1=O)[*:1]
CCC[C@H](COC)N1CCC(=O)N2CCCC[C@H]2C1=O COC[*:1] CCC[C@H](N1CCC(=O)N2CCCC[C@H]2C1=O)[*:1]
CC(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])N1CCN(CC1)c1ccccc1F
CC(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] CC(=O)c1ccc(cc1)OCC(=O)N1CCN(CC1)[*:1]
CCN[C@]1(C#N)CCC[C@@H]1CCOc1ccc(CO)cc1 CCN[*:1] N#C[C@@]1(CCC[C@@H]1CCOc1ccc(cc1)CO)[*:1]
O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)N1CCN(CCc2ccccc2)CC1 Clc1ccc(nc1)N[*:1] O=C(Cc1csc(n1)[*:1])N1CCN(CCc2ccccc2)CC1
O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(Cc1csc(n1)Nc1ccc(Cl)cn1)N1CCN(CC1)[*:1]
O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Cc1csc(n1)Nc1ccc(Cl)cn1)N1CCN(CC1)C[*:1]
O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)Nc1ccc(Cl)cn1)N1CCN(CC1)CC[*:1]
O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)N1CCN(CCc2ccccc2)CC1 Clc1ccc(nc1)[*:1] O=C(Cc1csc(n1)N[*:1])N1CCN(CCc2ccccc2)CC1
Cc1c(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)oc2ccccc12 NS(=O)(=O)[*:1] Cc1c(C[NH2+][C@@H](C)c2ccc(cc2)[*:1])oc2ccccc12
Cc1cccc([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)c1C NC(=O)[*:1] Cc1cccc(c1C)[C@@H](C)NC(=O)c1cn(C[*:1])nn1
Cc1cccc([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)c1C NC(=O)C[*:1] Cc1cccc(c1C)[C@@H](C)NC(=O)c1cn(nn1)[*:1]
CCn1c(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n[nH]c1=O CCn1c(n[nH]c1=O)[*:1] O=C(Cc1c[nH]c2ccccc12)N1CCC(CC1)[*:1]
Cc1ccsc1C(=O)N1CCCN(c2cc(-c3ccccc3)n[nH]2)CC1 Cc1ccsc1[*:1] O=C(N1CCCN(CC1)c1cc(n[nH]1)-c1ccccc1)[*:1]
Cc1ccsc1C(=O)N1CCCN(c2cc(-c3ccccc3)n[nH]2)CC1 c1ccc(cc1)[*:1] Cc1ccsc1C(=O)N1CCCN(CC1)c1cc(n[nH]1)[*:1]
NC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 O=[N+]([O-])[*:1] NC(=O)C1CCN(CC1)[C@@H]1CC(=O)N(C1=O)c1cccc(c1)[*:1]
NC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 NC(=O)[*:1] O=C1C[C@H](C(=O)N1c1cccc(c1)[N+](=O)[O-])N1CCC(CC1)[*:1]
O=C(CC[NH+]1CCN(c2ccccc2)CC1)N/N=C/c1cccnc1 c1cncc(c1)[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccc1)NN=C[*:1]
O=C(CC[NH+]1CCN(c2ccccc2)CC1)N/N=C/c1cccnc1 c1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])N/N=C/c1cccnc1
COc1ccc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 COc1ccc(cc1)[*:1] Cc1onc(c1C(=O)NC[*:1])-c1c(Cl)cccc1Cl
COc1ccc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 Clc1cccc(Cl)c1[*:1] COc1ccc(cc1)CNC(=O)c1c(noc1C)[*:1]
C[NH2+]C[C@H](C)C(=O)N(CCOC)C1CC1 COCC[*:1] C[NH2+]C[C@H](C)C(=O)N(C1CC1)[*:1]
C[NH2+]C[C@H](C)C(=O)N(CCOC)C1CC1 COC[*:1] C[NH2+]C[C@H](C)C(=O)N(C[*:1])C1CC1
C[NH2+]C[C@H](C)C(=O)N(CCOC)C1CC1 C1CC1[*:1] C[NH2+]C[C@H](C)C(=O)N(CCOC)[*:1]
C/C=C/Cc1nnc(C(=O)N(C)CCc2ccccc2)o1 C/C=C/C[*:1] CN(CCc1ccccc1)C(=O)c1nnc(o1)[*:1]
C/C=C/Cc1nnc(C(=O)N(C)CCc2ccccc2)o1 CC=C[*:1] CN(CCc1ccccc1)C(=O)c1nnc(C[*:1])o1
C/C=C/Cc1nnc(C(=O)N(C)CCc2ccccc2)o1 c1ccc(cc1)[*:1] C/C=C/Cc1nnc(o1)C(=O)N(C)CC[*:1]
C/C=C/Cc1nnc(C(=O)N(C)CCc2ccccc2)o1 c1ccc(cc1)C[*:1] C/C=C/Cc1nnc(o1)C(=O)N(C)C[*:1]
CCCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC3(CC2)OCCO3)[C@H]1c1cccc(Cl)c1 CCC[*:1] O=C([C@@H]1c2ccccc2C(=O)N(C[*:1])[C@@H]1c1cccc(Cl)c1)N1CCC2(CC1)OCCO2
CCCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC3(CC2)OCCO3)[C@H]1c1cccc(Cl)c1 CCCC[*:1] O=C([C@@H]1c2ccccc2C(=O)N([C@@H]1c1cccc(Cl)c1)[*:1])N1CCC2(CC1)OCCO2
CCCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC3(CC2)OCCO3)[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC3(CC2)OCCO3)[C@@H]1[*:1]
CC[C@H]1CCCCN1C(=O)CSCc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@H]1CCCCN1C(=O)CSCc1ncn(n1)[*:1]
CC[C@](C)(NC(=O)N1CCS(=O)CC1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)N1CCS(=O)CC1)[*:1]
C[NH2+][C@H](C)c1cccn1CC(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] C[NH2+][C@H](C)c1cccn1CC(=O)N[*:1]
C[NH2+][C@H](C)c1cccn1CC(=O)N[C@H](C)C(C)C CC(C)[*:1] C[NH2+][C@H](C)c1cccn1CC(=O)N[C@H](C)[*:1]
CN(CCS(C)(=O)=O)C(=O)C[C@@H]1CCC[NH2+]C1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)C[C@@H]1CCC[NH2+]C1
CN(CCS(C)(=O)=O)C(=O)C[C@@H]1CCC[NH2+]C1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)C[C@@H]1CCC[NH2+]C1
CCOC(=O)c1nnn2c1nc(Sc1nnc(-c3ccco3)n1-c1ccccc1)c1ccccc12 CCOC(=O)[*:1] c1ccc(cc1)-n1c(nnc1-c1ccco1)Sc1nc2c(nnn2c2ccccc12)[*:1]
CCOC(=O)c1nnn2c1nc(Sc1nnc(-c3ccco3)n1-c1ccccc1)c1ccccc12 c1ccc(cc1)[*:1] CCOC(=O)c1nnn2c1nc(Sc1nnc(-c3ccco3)n1[*:1])c1ccccc12
CCOC(=O)c1nnn2c1nc(Sc1nnc(-c3ccco3)n1-c1ccccc1)c1ccccc12 c1coc(c1)[*:1] CCOC(=O)c1nnn2c1nc(Sc1nnc(n1-c1ccccc1)[*:1])c1ccccc12
COCCOc1c(Cl)cc(NC(=O)CO)cc1Cl COCCO[*:1] O=C(CO)Nc1cc(Cl)c(c(Cl)c1)[*:1]
COCCOc1c(Cl)cc(NC(=O)CO)cc1Cl O=C(CO)N[*:1] COCCOc1c(Cl)cc(cc1Cl)[*:1]
COCCOc1c(Cl)cc(NC(=O)CO)cc1Cl COCC[*:1] O=C(CO)Nc1cc(Cl)c(O[*:1])c(Cl)c1
COCCOc1c(Cl)cc(NC(=O)CO)cc1Cl COC[*:1] O=C(CO)Nc1cc(Cl)c(OC[*:1])c(Cl)c1
O=C(Nc1ccccc1)Nc1ccnn1Cc1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1ccccc1)Nc1ccnn1C[*:1]
O=C(Nc1ccccc1)Nc1ccnn1Cc1ccccn1 c1ccc(C[*:1])nc1 O=C(Nc1ccccc1)Nc1ccnn1[*:1]
O=C(Nc1ccccc1)Nc1ccnn1Cc1ccccn1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1Cc1ccccn1)N[*:1]
CC(C)[C@@H](NC(=O)[C@H](C)c1ccsc1)c1nc(-c2ccncc2)no1 CC(C)[*:1] C[C@@H](C(=O)N[C@@H](c1nc(no1)-c1ccncc1)[*:1])c1ccsc1
CC(C)[C@@H](NC(=O)[C@H](C)c1ccsc1)c1nc(-c2ccncc2)no1 C[C@H](c1ccsc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])c1nc(no1)-c1ccncc1
CC(C)[C@@H](NC(=O)[C@H](C)c1ccsc1)c1nc(-c2ccncc2)no1 c1cc(cs1)[*:1] CC(C)[C@@H](NC(=O)[C@H](C)[*:1])c1nc(no1)-c1ccncc1
CC(C)[C@@H](NC(=O)[C@H](C)c1ccsc1)c1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] CC(C)[C@@H](NC(=O)[C@H](C)c1ccsc1)c1nc(no1)[*:1]
O=C1c2ccccc2C(=O)N1CCCn1nnc(-c2cccs2)n1 c1csc(c1)[*:1] O=C1c2ccccc2C(=O)N1CCCn1nnc(n1)[*:1]
O=C1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1 FC(F)(F)[*:1] O=C1CC[C@H](NC(=O)Nc2ccc(cc2)[*:1])C(=O)N1
CC[C@H](C)N/C(NCc1cccc([N+]2=CCCC2)c1)=[NH+]\C CC[C@H](C)[*:1] C/[NH+]=C(/NCc1cccc(c1)[N+]1=CCCC1)N[*:1]
CC[C@H](C)NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 CC[C@H](C)NC(=O)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC(CC1)C[*:1]
CC[C@H](C)NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)CC1CCN(CC1)S(=O)(=O)[*:1]
CC[C@H](C)NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 CC[C@H](C)[*:1] O=C(CC1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)N[*:1]
CC[C@H](C)NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 CC[C@H](C)NC(=O)C[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC(CC1)[*:1]
Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(Cl)c1N1CCOCC1 Cc1cc(F)ccc1[*:1] O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)[*:1]
Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(Cl)c1N1CCOCC1 C1CN(CCO1)[*:1] Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(Cl)c1[*:1]
Cn1cc(C(=O)NCCc2ccc(O)cc2)c(-c2ccccc2Cl)n1 Oc1ccc(cc1)[*:1] Cn1cc(C(=O)NCC[*:1])c(n1)-c1ccccc1Cl
Cn1cc(C(=O)NCCc2ccc(O)cc2)c(-c2ccccc2Cl)n1 Oc1ccc(cc1)C[*:1] Cn1cc(C(=O)NC[*:1])c(n1)-c1ccccc1Cl
Cn1cc(C(=O)NCCc2ccc(O)cc2)c(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cn1cc(C(=O)NCCc2ccc(O)cc2)c(n1)[*:1]
N/C(=N/OCc1cc(Br)ccc1F)c1cc[nH+]c(N2CCCCC2)c1 C1CCN(CC1)[*:1] N/C(=N/OCc1cc(Br)ccc1F)c1cc[nH+]c(c1)[*:1]
N/C(=N/OCc1cc(Br)ccc1F)c1cc[nH+]c(N2CCCCC2)c1 Fc1ccc(Br)cc1[*:1] N/C(=N/OC[*:1])c1cc[nH+]c(c1)N1CCCCC1
C[C@H]1CC[C@@H]2[C@H](CCCN2C(=O)CCCc2ccccn2)C1 c1ccc(C[*:1])nc1 C[C@H]1CC[C@@H]2[C@H](CCCN2C(=O)CC[*:1])C1
C[C@H]1CC[C@@H]2[C@H](CCCN2C(=O)CCCc2ccccn2)C1 c1ccc(nc1)[*:1] C[C@H]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[*:1])C1
C[C@@H]1C[C@H](NC(=O)[C@H](O)c2ccccc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)[C@H](O)c1ccccc1
C[C@@H]1C[C@H](NC(=O)[C@H](O)c2ccccc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)[C@H](O)[*:1]
O=C(C[NH+]1CCc2ccccc2C1)NC1CCCC1 C1CCC(C1)[*:1] O=C(C[NH+]1CCc2ccccc2C1)N[*:1]
O=C(NCC(=O)N1CCCC1)N[C@@H](CO)c1ccc(Cl)cc1 O=C(N1CCCC1)[*:1] O=C(NC[*:1])N[C@@H](CO)c1ccc(Cl)cc1
O=C(NCC(=O)N1CCCC1)N[C@@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCC(=O)N1CCCC1)N[C@@H](CO)[*:1]
C[C@H]1NC(=O)C[C@H]1c1ccccc1C1CC1 C1CC1[*:1] C[C@H]1NC(=O)C[C@H]1c1ccccc1[*:1]
COCC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 COCC(=O)N[*:1] c1cc2CCC[C@@H]3C[C@@H](c(c1)c23)[*:1]
COCC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 COC[*:1] O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)[*:1]
CC[C@](C)([NH2+]CC(=O)NC[C@H]1CCCO1)C(=O)[O-] C1CO[C@H](C1)[*:1] CC[C@](C)([NH2+]CC(=O)NC[*:1])C(=O)[O-]
CC[C@](C)([NH2+]CC(=O)NC[C@H]1CCCO1)C(=O)[O-] C1CO[C@H](C1)C[*:1] CC[C@](C)([NH2+]CC(=O)N[*:1])C(=O)[O-]
CC[C@](C)([NH2+]CC(=O)NC[C@H]1CCCO1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)([NH2+]CC(=O)NC[C@H]1CCCO1)[*:1]
O=S(=O)(CC1CCC1)NCCCc1cccc(F)c1 C1CC(C1)C[*:1] O=S(=O)(NCCCc1cccc(F)c1)[*:1]
O=S(=O)(CC1CCC1)NCCCc1cccc(F)c1 C1CC(C1)[*:1] O=S(=O)(C[*:1])NCCCc1cccc(F)c1
Cc1cc(C)n2c(CN(Cc3cccc(F)c3)C[C@@H]3CCCO3)cnc2n1 Fc1cccc(c1)C[*:1] Cc1cc(C)n2c(cnc2n1)CN(C[C@@H]1CCCO1)[*:1]
Cc1cc(C)n2c(CN(Cc3cccc(F)c3)C[C@@H]3CCCO3)cnc2n1 C1CO[C@@H](C1)C[*:1] Cc1cc(C)n2c(cnc2n1)CN(Cc1cccc(F)c1)[*:1]
Cc1cc(C)n2c(CN(Cc3cccc(F)c3)C[C@@H]3CCCO3)cnc2n1 Fc1cccc(c1)[*:1] Cc1cc(C)n2c(cnc2n1)CN(C[C@@H]1CCCO1)C[*:1]
CC(C)Cc1ccc([C@@H]2OCC[C@H]2C[NH2+]C(C)C)cc1 CC(C)[*:1] CC(C)[NH2+]C[C@@H]1CCO[C@H]1c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@@H]2OCC[C@H]2C[NH2+]C(C)C)cc1 CC(C)C[*:1] CC(C)[NH2+]C[C@@H]1CCO[C@H]1c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H]2OCC[C@H]2C[NH2+]C(C)C)cc1 CC(C)[*:1] CC(C)Cc1ccc(cc1)[C@@H]1OCC[C@H]1C[NH2+][*:1]
CC(C)(C)c1ccc(C[n+]2c(N)n(CC(=O)c3ccco3)c3ccccc32)cc1 O=C(c1ccco1)[*:1] CC(C)(C)c1ccc(cc1)C[n+]1c(N)n(C[*:1])c2ccccc21
CC(C)(C)c1ccc(C[n+]2c(N)n(CC(=O)c3ccco3)c3ccccc32)cc1 CC(C)(C)[*:1] Nc1n(CC(=O)c2ccco2)c2ccccc2[n+]1Cc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C[n+]2c(N)n(CC(=O)c3ccco3)c3ccccc32)cc1 O=C(C[*:1])c1ccco1 CC(C)(C)c1ccc(cc1)C[n+]1c(N)n(c2ccccc21)[*:1]
CC(C)(C)c1ccc(C[n+]2c(N)n(CC(=O)c3ccco3)c3ccccc32)cc1 c1coc(c1)[*:1] CC(C)(C)c1ccc(cc1)C[n+]1c(N)n(CC(=O)[*:1])c2ccccc21
Cn1cc(-c2nc(C(=O)OCc3ccc(C#N)cc3)cs2)cn1 Cn1cc(cn1)[*:1] N#Cc1ccc(cc1)COC(=O)c1csc(n1)[*:1]
O=C1C(=O)N(CN2CCC(O)(C(F)(F)F)CC2)c2ccccc21 FC(F)(F)[*:1] O=C1C(=O)N(CN2CCC(O)(CC2)[*:1])c2ccccc21
COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc(Br)c1OC C1CCC(CC1)[*:1] COc1cc(cc(Br)c1OC)[C@H]1C(C(=O)O[*:1])=C(C)Nc2nnnn21
COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc(Br)c1OC O=C(OC1CCCCC1)[*:1] COc1cc(cc(Br)c1OC)[C@H]1C(=C(C)Nc2nnnn21)[*:1]
COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(COC)o2)C1 COCC[*:1] COCc1ccc(o1)C(=O)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(COC)o2)C1 COCc1ccc(o1)[*:1] COCCn1cc[nH+]c1[C@H]1CCCN(C1)C(=O)[*:1]
COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(COC)o2)C1 COC[*:1] COCc1ccc(o1)C(=O)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(COC)o2)C1 COC[*:1] COCCn1cc[nH+]c1[C@H]1CCCN(C1)C(=O)c1ccc(o1)[*:1]
O=C1CCCC2=C1[C@H](c1cccnc1)n1c([nH+]c3ccccc31)N2 c1cncc(c1)[*:1] O=C1CCCC2Nc3[nH+]c4ccccc4n3[C@@H](C=21)[*:1]
CCn1cnnc1[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCn1cnnc1[C@@H]1CCCN(C1)C(=O)CO[*:1]
CCn1cnnc1[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 Clc1ccc(cc1)O[*:1] CCn1cnnc1[C@@H]1CCCN(C1)C(=O)C[*:1]
CCn1cnnc1[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 CCn1cnnc1[*:1] O=C(COc1ccc(Cl)cc1)N1CCC[C@H](C1)[*:1]
O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](O)c1ccccc1Cl O=[N+]([O-])[*:1] O=C(COc1cccc(c1)[*:1])NC[C@H](O)c1ccccc1Cl
O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](O)c1ccccc1Cl Clc1ccccc1[*:1] O=C(COc1cccc(c1)[N+](=O)[O-])NC[C@H](O)[*:1]
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 COc1ccc(cc1)[*:1] C=CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(F)cc1
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 C=CC[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(F)cc1)[*:1]
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(cc2)OC)[C@@H]1[*:1]
COCCCNC(=O)NCCc1ncc(C)s1 COC[*:1] Cc1cnc(CCNC(=O)NCC[*:1])s1
COCCCNC(=O)NCCc1ncc(C)s1 COCC[*:1] Cc1cnc(CCNC(=O)NC[*:1])s1
COCCCNC(=O)NCCc1ncc(C)s1 COCCC[*:1] Cc1cnc(CCNC(=O)N[*:1])s1
Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccccc3F)ccc2=O)cc1Cl Fc1ccccc1[*:1] Cc1ccc(cc1Cl)-n1nc(ccc1=O)S[C@@H](C)C(=O)N[*:1]
Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccccc3F)ccc2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] C[C@H](Sc1ccc(=O)n(n1)[*:1])C(=O)Nc1ccccc1F
COc1cccc(N2CC[NH+](CC(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)CC2)c1 c1cc2OCCOc2cc1[*:1] COc1cccc(c1)N1CC[NH+](CC1)CC(=O)N(Cc1cccs1)[*:1]
COc1cccc(N2CC[NH+](CC(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)CC2)c1 c1csc(c1)C[*:1] COc1cccc(c1)N1CC[NH+](CC1)CC(=O)N(c1ccc2OCCOc2c1)[*:1]
COc1cccc(N2CC[NH+](CC(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)CC2)c1 COc1cccc(c1)[*:1] O=C(C[NH+]1CCN(CC1)[*:1])N(Cc1cccs1)c1ccc2OCCOc2c1
COc1cccc(N2CC[NH+](CC(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)CC2)c1 c1csc(c1)[*:1] COc1cccc(c1)N1CC[NH+](CC1)CC(=O)N(C[*:1])c1ccc2OCCOc2c1
CC(C)c1nc2sc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2 c1ccc(C[*:1])nc1 CC(C)c1nc2sc3c(ncnc3c2c2CC(C)(C)OCc12)N[*:1]
CC(C)c1nc2sc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2 c1ccc(CN[*:1])nc1 CC(C)c1nc2sc3c(ncnc3c2c2CC(C)(C)OCc12)[*:1]
CC(C)c1nc2sc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2 c1ccc(nc1)[*:1] CC(C)c1nc2sc3c(ncnc3c2c2CC(C)(C)OCc12)NC[*:1]
CC(C)c1nc2sc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2 CC(C)[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)NCc1ccccn1)[*:1]
[NH3+][C@@H](CC1CCC1)[C@H]1CSCCO1 C1CC(C1)[*:1] [NH3+][C@@H](C[*:1])[C@H]1CSCCO1
Cc1cccc(-c2noc(CS(=O)(=O)CCC(C)(C)O)n2)c1 CC(C)(O)[*:1] Cc1cccc(c1)-c1noc(CS(=O)(=O)CC[*:1])n1
Cc1cccc(-c2noc(CS(=O)(=O)CCC(C)(C)O)n2)c1 Cc1cccc(c1)[*:1] CC(C)(O)CCS(=O)(=O)Cc1nc(no1)[*:1]
Cc1cccc(-c2noc(CS(=O)(=O)CCC(C)(C)O)n2)c1 CC(C)(O)C[*:1] Cc1cccc(c1)-c1noc(CS(=O)(=O)C[*:1])n1
Cc1cccc(-c2noc(CS(=O)(=O)CCC(C)(C)O)n2)c1 CC(C)(O)CC[*:1] Cc1cccc(c1)-c1noc(CS(=O)(=O)[*:1])n1
C[S@@](=O)c1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 c1cn2cc(nc2s1)[*:1] C[S@@](=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
[NH3+][C@H]1CCCCC[C@H]1C(=O)NCC1CCCCC1 C1CCC(CC1)[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)NC[*:1]
CC[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@@H]([NH2+][C@@H](C)c1ccccc1)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCN(c3[nH+]c4ccccc4n3C)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cn1c([nH+]c2ccccc21)N1CCN(CC1)S(=O)(=O)[*:1]
CS(=O)(=O)N1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CS(=O)(=O)N1CCC(CC1)Nc1c(cc(cc1[*:1])C(F)(F)F)[N+](=O)[O-]
CS(=O)(=O)N1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] CS(=O)(=O)N1CCC(CC1)Nc1c(cc(cc1[N+](=O)[O-])[*:1])[N+](=O)[O-]
Cc1ccc([C@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 Cc1ccc(cc1)[*:1] Nc1nc(=O)c2c(NC3=C(C(=O)c4ccccc43)[C@@H]2[*:1])[nH]1
CC(=O)[C@H](C)[C@H](O)[C@H](C)c1ccc(C)cc1/C=C/CO CC(=O)[C@H](C)[*:1] Cc1ccc(c(/C=C/CO)c1)[C@@H](C)[C@@H](O)[*:1]
CC(=O)[C@H](C)[C@H](O)[C@H](C)c1ccc(C)cc1/C=C/CO OCC=C[*:1] CC(=O)[C@H](C)[C@H](O)[C@H](C)c1ccc(C)cc1[*:1]
CC(=O)[C@H](C)[C@H](O)[C@H](C)c1ccc(C)cc1/C=C/CO CC(=O)[*:1] Cc1ccc(c(/C=C/CO)c1)[C@@H](C)[C@@H](O)[C@@H](C)[*:1]
CN(C[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] CN(C[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)c(c1)C[*:1]
CN(C[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 C1C[C@H](CO1)[*:1] CN(C[*:1])C(=O)Nc1ccc(Cl)c(c1)CS(C)(=O)=O
CN(C[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] CN(C[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccsc4c(=O)s3)C2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2ccsc2c(=O)s1
CCN(CCO)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 OCC[*:1] CCN(C(=O)Nc1cccc(c1)-c1nnc2CCCn21)[*:1]
CC[C@H]1CCCCN1C(=O)N[C@H](C)CC(=O)NC(C)C CC(C)NC(=O)[*:1] CC[C@H]1CCCCN1C(=O)N[C@H](C)C[*:1]
CC[C@H]1CCCCN1C(=O)N[C@H](C)CC(=O)NC(C)C CC(C)[*:1] CC[C@H]1CCCCN1C(=O)N[C@H](C)CC(=O)N[*:1]
CC[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] CC[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
CC[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1 CC[C@@H](C)[*:1] O=C([O-])c1cccc(c1)NC(=O)[*:1]
Cc1c(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H]1CC(C)(C)c2ccccc21
CC(=O)Nc1cccc(-n2cc3c(c2-c2ccccc2Cl)c(=O)n(C)c(=O)n3C)c1 CC(=O)N[*:1] Cn1c(=O)c2c(-c3ccccc3Cl)n(cc2n(C)c1=O)-c1cccc(c1)[*:1]
CC(=O)Nc1cccc(-n2cc3c(c2-c2ccccc2Cl)c(=O)n(C)c(=O)n3C)c1 Clc1ccccc1[*:1] CC(=O)Nc1cccc(c1)-n1cc2c(c1[*:1])c(=O)n(C)c(=O)n2C
CC(=O)Nc1cccc(-n2cc3c(c2-c2ccccc2Cl)c(=O)n(C)c(=O)n3C)c1 CC(=O)Nc1cccc(c1)[*:1] Cn1c(=O)c2c(-c3ccccc3Cl)n(cc2n(C)c1=O)[*:1]
Cc1ccc2[nH]nc(C(=O)NC[C@@H](O)COCC(C)C)c2c1 CC(C)CO[*:1] Cc1ccc2[nH]nc(C(=O)NC[C@@H](O)C[*:1])c2c1
Cc1ccc2[nH]nc(C(=O)NC[C@@H](O)COCC(C)C)c2c1 CC(C)[*:1] Cc1ccc2[nH]nc(C(=O)NC[C@@H](O)COC[*:1])c2c1
Cc1ccc2[nH]nc(C(=O)NC[C@@H](O)COCC(C)C)c2c1 CC(C)COC[*:1] Cc1ccc2[nH]nc(C(=O)NC[C@@H](O)[*:1])c2c1
Cc1ccc2[nH]nc(C(=O)NC[C@@H](O)COCC(C)C)c2c1 CC(C)C[*:1] Cc1ccc2[nH]nc(C(=O)NC[C@@H](O)CO[*:1])c2c1
Cc1ccccc1OCC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccccc1OCC(=O)Nc1cccc(c1)C(=O)N(C)[*:1]
Cc1ccccc1OCC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 Cc1ccccc1[*:1] CN(C(=O)c1cccc(c1)NC(=O)CO[*:1])c1ccccc1
Cc1ccccc1OCC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 Cc1ccccc1OC[*:1] CN(C(=O)c1cccc(c1)NC(=O)[*:1])c1ccccc1
Cc1ccccc1OCC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 Cc1ccccc1O[*:1] CN(C(=O)c1cccc(c1)NC(=O)C[*:1])c1ccccc1
CC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nnnn1[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2cccc(F)c2)c1 CC(=O)N[*:1] O=C(CSc1nnnn1-c1cccc(F)c1)Nc1cccc(c1)[*:1]
Nc1ncc(C[NH+]2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)cn1 Nc1ncc(cn1)[*:1] O=c1[nH]nc(C2CC[NH+](CC2)C[*:1])n1Cc1ccccc1
Nc1ncc(C[NH+]2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)cn1 c1ccc(cc1)[*:1] Nc1ncc(cn1)C[NH+]1CCC(CC1)c1n[nH]c(=O)n1C[*:1]
Nc1ncc(C[NH+]2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)cn1 Nc1ncc(cn1)C[*:1] O=c1[nH]nc(C2CC[NH+](CC2)[*:1])n1Cc1ccccc1
Nc1ncc(C[NH+]2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)cn1 c1ccc(cc1)C[*:1] Nc1ncc(cn1)C[NH+]1CCC(CC1)c1n[nH]c(=O)n1[*:1]
CC[C@@H](NC(=O)N1CCOC[C@H]1CC(C)C)c1cccs1 CC(C)C[*:1] CC[C@@H](NC(=O)N1CCOC[C@@H]1[*:1])c1cccs1
CC[C@@H](NC(=O)N1CCOC[C@H]1CC(C)C)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)N1CCOC[C@H]1CC(C)C)[*:1]
CC[C@@H](NC(=O)N1CCOC[C@H]1CC(C)C)c1cccs1 CC(C)[*:1] CC[C@@H](NC(=O)N1CCOC[C@H]1C[*:1])c1cccs1
Cc1ccncc1NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccncc1NC(=O)[C@@H](CNC(=O)OC(C)(C)C)[*:1]
Cc1ccncc1NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 CC(C)(C)OC(=O)N[*:1] Cc1ccncc1NC(=O)[C@@H](C[*:1])c1ccccc1
Cc1ccncc1NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] Cc1ccncc1NC(=O)[C@@H](CNC(=O)O[*:1])c1ccccc1
Cc1ccncc1NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 Cc1ccncc1[*:1] CC(C)(C)OC(=O)NC[C@H](C(=O)N[*:1])c1ccccc1
C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccccc1N(C)C CN(C)[*:1] C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccccc1[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2cn3c(C)cccc3[nH+]2)C1 CC[S@@](=O)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N[C@H]1CCC[C@H](C1)[*:1]
Fc1cc(Br)cc(NCc2noc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Fc1cc(Br)cc(c1)NCc1noc(n1)[*:1]
Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)Oc1nccnc1N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C1)c1nccnc1O[*:1]
Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1 Cc1ccc(cc1)O[*:1] O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C1)c1nccnc1[*:1]
Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)Oc1nccnc1N1CCC[C@H](C1)C(=O)N[*:1]
Cc1nc2cc(NC(=O)c3cccc(C(F)(F)F)c3F)ccc2o1 FC(F)(F)[*:1] Cc1nc2cc(ccc2o1)NC(=O)c1cccc(c1F)[*:1]
COc1ccccc1[C@@H]1CC(=O)N(c2sc3c(c2C#N)CCCC3)C2=C1C(=O)CCC2 COc1ccccc1[*:1] N#Cc1c(sc2CCCCc21)N1C(=O)C[C@H](C2C(=O)CCCC=21)[*:1]
CSC(C)(C)C[NH2+][C@H](C)Cn1cnc(C)c1C CSC(C)(C)[*:1] Cc1ncn(C[C@@H](C)[NH2+]C[*:1])c1C
CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[C@@H](O)[*:1]
CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[*:1]
CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[C@@H](O)c1ccccc1 CC(C)O[*:1] N#Cc1ccc(c(c1)NC(=O)NCC[C@@H](O)c1ccccc1)[*:1]
CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[C@@H](O)c1ccccc1 CC(C)[*:1] N#Cc1ccc(O[*:1])c(c1)NC(=O)NCC[C@@H](O)c1ccccc1
C[C@H]1CCCN(C(=O)Nc2cc(C(=O)N(C)C)ccc2F)[C@@H]1CO CN(C)C(=O)[*:1] C[C@H]1CCCN(C(=O)Nc2cc(ccc2F)[*:1])[C@@H]1CO
COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3cccnc3)ccc2c1N COc1ccc(Cl)cc1[*:1] Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3cccnc3)ccc2c1N c1cncc(c1)[*:1] COc1ccc(Cl)cc1NC(=O)c1sc2nc(ccc2c1N)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)C[C@H](C)c1cccc(c1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 Cc1nn(C)cc1[*:1] C[C@@H](CC(=O)N[C@@H](C)[*:1])c1cccc(c1)C(F)(F)F
NC(=O)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O NC(=O)NN=C[*:1] O=C1NC(=S)N(C(=O)[C@H]1[*:1])c1ccccc1
NC(=O)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] NC(=O)N/N=C/[C@H]1C(=O)NC(=S)N(C1=O)[*:1]
CC1(C)CN(CC(=O)[O-])c2ccc(S(=O)(=O)N3CCCCC3)cc21 O=C([O-])[*:1] CC1(C)CN(C[*:1])c2ccc(cc21)S(=O)(=O)N1CCCCC1
CC1(C)CN(CC(=O)[O-])c2ccc(S(=O)(=O)N3CCCCC3)cc21 O=C([O-])C[*:1] CC1(C)CN(c2ccc(cc21)S(=O)(=O)N1CCCCC1)[*:1]
COC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)CC1CC1 C1CC1C[*:1] COC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)[*:1]
COC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)CC1CC1 C1CC1[*:1] COC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)C[*:1]
COC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)CC1CC1 COC(=O)[*:1] C[C@H](CC1CC1)[NH2+][C@H](C)[C@@H](C)[*:1]
NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 NC(=O)[*:1] O=[N+]([O-])c1ccc(C=C[*:1])cc1
NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] NC(=O)/C=C/c1ccc(cc1)[*:1]
C[C@H]1CCCN1c1cccc(OCC(=O)[O-])c1 O=C([O-])[*:1] C[C@H]1CCCN1c1cccc(c1)OC[*:1]
C[C@H]1CCCN1c1cccc(OCC(=O)[O-])c1 O=C([O-])C[*:1] C[C@H]1CCCN1c1cccc(c1)O[*:1]
C[C@H]1CCCN1c1cccc(OCC(=O)[O-])c1 O=C([O-])CO[*:1] C[C@H]1CCCN1c1cccc(c1)[*:1]
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CC(=O)N(CC2CC2)C1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NNC(=O)[C@H]1CC(=O)N(CC2CC2)C1
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CC(=O)N(CC2CC2)C1 Fc1ccc(cc1)C[*:1] O=C(NNC(=O)[*:1])[C@H]1CC(=O)N(CC2CC2)C1
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] O=C(Cc1ccc(F)cc1)NNC(=O)[C@H]1CC(=O)N(C1)C[*:1]
CC(C)[C@@H]1CN([C@@H]2CCCC2(C)C)[C@H](C(C)C)C[NH2+]1 CC(C)[*:1] CC(C)[C@@H]1CN([C@@H]2CCCC2(C)C)[C@H](C[NH2+]1)[*:1]
CC(C)[C@@H]1CN([C@@H]2CCCC2(C)C)[C@H](C(C)C)C[NH2+]1 CC(C)[*:1] CC(C)[C@@H]1C[NH2+][C@@H](CN1[C@@H]1CCCC1(C)C)[*:1]
O=C(Cc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=C(Nc1ccc(cc1)[*:1])N1CCC[C@H]1c1ccsc1
O=C(Cc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1)N1CCOCC1 c1cc(cs1)[*:1] O=C(Cc1ccc(cc1)NC(=O)N1CCC[C@@H]1[*:1])N1CCOCC1
O=C(Cc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])N1CCC[C@H]1c1ccsc1
CCCCn1c(SCC2(CO)COC2)nc(C)c1C CCC[*:1] Cc1nc(SCC2(CO)COC2)n(C[*:1])c1C
CCCCn1c(SCC2(CO)COC2)nc(C)c1C CCCC[*:1] Cc1nc(SCC2(CO)COC2)n(c1C)[*:1]
CCCCn1c(SCC2(CO)COC2)nc(C)c1C OCC1(COC1)[*:1] CCCCn1c(nc(C)c1C)SC[*:1]
CCc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3F)C3CCCCC3)cc2c1 C1CCC(CC1)[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)c1ccccc1F)[*:1]
CCc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3F)C3CCCCC3)cc2c1 Fc1ccccc1[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)[*:1])C1CCCCC1
Cc1csc([C@@H](C)NC(=O)CCCO)n1 OCCC[*:1] Cc1csc(n1)[C@@H](C)NC(=O)[*:1]
Cc1csc([C@@H](C)NC(=O)CCCO)n1 OCC[*:1] Cc1csc(n1)[C@@H](C)NC(=O)C[*:1]
O=C(CO)O[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CO)O[C@H](c1ccccc1)C(c1ccccc1)[*:1]
O=C(CO)O[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CO)O[C@H](C(c1ccccc1)c1ccccc1)[*:1]
COC(=O)C1CCN(C(=O)Nc2ccc(F)cc2OCC2CC2)CC1 C1CC1CO[*:1] COC(=O)C1CCN(CC1)C(=O)Nc1ccc(F)cc1[*:1]
COC(=O)C1CCN(C(=O)Nc2ccc(F)cc2OCC2CC2)CC1 C1CC1C[*:1] COC(=O)C1CCN(CC1)C(=O)Nc1ccc(F)cc1O[*:1]
COC(=O)C1CCN(C(=O)Nc2ccc(F)cc2OCC2CC2)CC1 C1CC1[*:1] COC(=O)C1CCN(CC1)C(=O)Nc1ccc(F)cc1OC[*:1]
COC(=O)C1CCN(C(=O)Nc2ccc(F)cc2OCC2CC2)CC1 COC(=O)[*:1] O=C(Nc1ccc(F)cc1OCC1CC1)N1CCC(CC1)[*:1]
CC1(C)CCCC[C@H]1[NH2+]CCCOCC1CC1 C1CC1[*:1] CC1(C)CCCC[C@H]1[NH2+]CCCOC[*:1]
CC1(C)CCCC[C@H]1[NH2+]CCCOCC1CC1 C1CC1CO[*:1] CC1(C)CCCC[C@H]1[NH2+]CCC[*:1]
CC1(C)CCCC[C@H]1[NH2+]CCCOCC1CC1 C1CC1C[*:1] CC1(C)CCCC[C@H]1[NH2+]CCCO[*:1]
CCc1cccc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1O NS(=O)(=O)[*:1] CCc1cccc(C(=O)N2CCC[C@@H](C2)C[*:1])c1O
CCc1cccc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1O NS(=O)(=O)C[*:1] CCc1cccc(C(=O)N2CCC[C@H](C2)[*:1])c1O
CC(C)Cn1c(SCC(N)=O)nc2c(sc3ncccc32)c1=O NC(=O)C[*:1] CC(C)Cn1c(nc2c(sc3ncccc32)c1=O)S[*:1]
CC(C)Cn1c(SCC(N)=O)nc2c(sc3ncccc32)c1=O CC(C)[*:1] NC(=O)CSc1nc2c(sc3ncccc32)c(=O)n1C[*:1]
CC(C)Cn1c(SCC(N)=O)nc2c(sc3ncccc32)c1=O NC(=O)CS[*:1] CC(C)Cn1c(nc2c(sc3ncccc32)c1=O)[*:1]
CC(C)Cn1c(SCC(N)=O)nc2c(sc3ncccc32)c1=O NC(=O)[*:1] CC(C)Cn1c(nc2c(sc3ncccc32)c1=O)SC[*:1]
CC(C)Cn1c(SCC(N)=O)nc2c(sc3ncccc32)c1=O CC(C)C[*:1] NC(=O)CSc1nc2c(sc3ncccc32)c(=O)n1[*:1]
O=C(CN1CCc2[nH]ncc2C1)NCc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(CN1CCc2[nH]ncc2C1)NCc1ccc(cc1)[*:1]
O=C(CN1CCc2[nH]ncc2C1)NCc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CN1CCc2[nH]ncc2C1)NCc1ccc(cc1)O[*:1]
CCOC(=O)C1=NN[C@@H](C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C1=NN[C@@H](C(=O)c2ccc(cc2)OC)[C@H]1[*:1]
CCOC(=O)C1=NN[C@@H](C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 COc1ccc(cc1)[*:1] CCOC(=O)C1=NN[C@@H](C(=O)[*:1])[C@@H]1c1ccccc1
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(Cl)cc2)n3C)cc1OC Clc1ccc(cc1)CS[*:1] C#CCOc1ccc(cc1OC)[C@@H]1CC(=O)Nc2c1c(=O)nc(n2C)[*:1]
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(Cl)cc2)n3C)cc1OC C#CC[*:1] COc1cc(ccc1O[*:1])[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccc(Cl)cc1)n2C
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(Cl)cc2)n3C)cc1OC Clc1ccc(cc1)[*:1] C#CCOc1ccc(cc1OC)[C@@H]1CC(=O)Nc2c1c(=O)nc(SC[*:1])n2C
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(Cl)cc2)n3C)cc1OC Clc1ccc(cc1)C[*:1] C#CCOc1ccc(cc1OC)[C@@H]1CC(=O)Nc2c1c(=O)nc(S[*:1])n2C
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(Cl)cc2)n3C)cc1OC C#CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccc(Cl)cc1)n2C
COc1ccc(-n2nnnc2SCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 COc1ccc(cc1)[*:1] Cc1ccc(Cl)c(NC(=O)CSc2nnnn2[*:1])c1Cl
COc1ccc(-n2nnnc2SCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 Cc1ccc(Cl)c(c1Cl)[*:1] COc1ccc(cc1)-n1nnnc1SCC(=O)N[*:1]
CC(C)c1cc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)nc(N(C)C)n1 CC(C)[*:1] CN(C)c1nc(cc(n1)[*:1])N1CCC[C@@H](C1)C(=O)Nc1ccccc1
CC(C)c1cc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)nc(N(C)C)n1 CN(C)[*:1] CC(C)c1cc(nc(n1)[*:1])N1CCC[C@@H](C1)C(=O)Nc1ccccc1
CC(C)c1cc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)nc(N(C)C)n1 O=C(Nc1ccccc1)[*:1] CC(C)c1cc(nc(n1)N(C)C)N1CCC[C@H](C1)[*:1]
CC(C)c1cc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)nc(N(C)C)n1 c1ccc(cc1)[*:1] CC(C)c1cc(nc(n1)N(C)C)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1c([C@@H](C[NH3+])N(C)[C@@H](C)c2cccs2)cnn1C c1csc(c1)[*:1] Cc1c(cnn1C)[C@@H](C[NH3+])N(C)[C@@H](C)[*:1]
C[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)c1cccc(c1)O[*:1]
CN(C)c1nc(N)nc(COc2ccccc2)n1 c1ccc(cc1)[*:1] CN(C)c1nc(N)nc(CO[*:1])n1
CN(C)c1nc(N)nc(COc2ccccc2)n1 CN(C)[*:1] Nc1nc(COc2ccccc2)nc(n1)[*:1]
COC(=O)c1ccc(C)c(NCC(=O)N2CCc3ccccc32)c1 COC(=O)[*:1] Cc1ccc(cc1NCC(=O)N1CCc2ccccc21)[*:1]
Cc1nn(-c2nc3c(Cl)c(Cl)ccc3s2)c(C)c1C(=O)NN NNC(=O)[*:1] Cc1nn(-c2nc3c(Cl)c(Cl)ccc3s2)c(C)c1[*:1]
C[C@H](Sc1nnc(SCC(N)=O)s1)c1ccc2ccccc2c1 NC(=O)[*:1] C[C@H](Sc1nnc(SC[*:1])s1)c1ccc2ccccc2c1
C[C@H](Sc1nnc(SCC(N)=O)s1)c1ccc2ccccc2c1 NC(=O)C[*:1] C[C@H](Sc1nnc(S[*:1])s1)c1ccc2ccccc2c1
C[C@H](Sc1nnc(SCC(N)=O)s1)c1ccc2ccccc2c1 NC(=O)CS[*:1] C[C@H](Sc1nnc(s1)[*:1])c1ccc2ccccc2c1
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COc1ccc(F)cc1Cl NS(=O)(=O)[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)COc1ccc(F)cc1Cl)[*:1]
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)CO[*:1])S(N)(=O)=O
COc1ccc(C)cc1NC(=O)[C@H](S[C@@H](C)[C@@H](C)O)c1ccccc1 C[C@@H](O)[*:1] COc1ccc(C)cc1NC(=O)[C@H](S[C@@H](C)[*:1])c1ccccc1
COc1ccc(C)cc1NC(=O)[C@H](S[C@@H](C)[C@@H](C)O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)[C@H](S[C@@H](C)[C@@H](C)O)[*:1]
COC(=O)c1ncn2ccnc(Cl)c12 COC(=O)[*:1] Clc1nccn2cnc(c12)[*:1]
COC(=O)c1c(SCc2ncccc2C)nc(=O)[nH]c1C COC(=O)[*:1] Cc1cccnc1CSc1nc(=O)[nH]c(C)c1[*:1]
COC(=O)c1c(SCc2ncccc2C)nc(=O)[nH]c1C Cc1cccnc1[*:1] COC(=O)c1c(nc(=O)[nH]c1C)SC[*:1]
C[C@H](O)[C@@H](C)Sc1ccc(CC(=O)[O-])cc1 C[C@H](O)[*:1] C[C@@H](Sc1ccc(cc1)CC(=O)[O-])[*:1]
C[C@H](O)[C@@H](C)Sc1ccc(CC(=O)[O-])cc1 O=C([O-])C[*:1] C[C@H](O)[C@@H](C)Sc1ccc(cc1)[*:1]
C[C@H](O)[C@@H](C)Sc1ccc(CC(=O)[O-])cc1 O=C([O-])[*:1] C[C@H](O)[C@@H](C)Sc1ccc(cc1)C[*:1]
O=C(c1cccnc1)N1CCC[C@@H]1c1nc2ccccc2s1 c1cncc(c1)[*:1] O=C(N1CCC[C@@H]1c1nc2ccccc2s1)[*:1]
CS(=O)(=O)Cc1ccc(C(=O)Oc2cccc(-n3cccn3)c2)cc1 CS(=O)(=O)[*:1] O=C(Oc1cccc(c1)-n1cccn1)c1ccc(cc1)C[*:1]
CS(=O)(=O)Cc1ccc(C(=O)Oc2cccc(-n3cccn3)c2)cc1 c1cnn(c1)[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)Oc1cccc(c1)[*:1]
CS(=O)(=O)Cc1ccc(C(=O)Oc2cccc(-n3cccn3)c2)cc1 CS(=O)(=O)C[*:1] O=C(Oc1cccc(c1)-n1cccn1)c1ccc(cc1)[*:1]
Cc1ccc(N(C)C(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N(C)C(=O)c1c2CC(C)(C)CC(=O)c2cn(c1=O)[*:1]
Cc1ccc(N(C)C(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)cc1C Cc1ccc(cc1C)[*:1] CN(C(=O)c1c2CC(C)(C)CC(=O)c2cn(-c2ccccc2)c1=O)[*:1]
C[C@@H]1COc2ccccc2N1Cc1ncc(C(C)(C)C)o1 CC(C)(C)[*:1] C[C@@H]1COc2ccccc2N1Cc1ncc(o1)[*:1]
COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc4ccccc34)o2)cc1 COc1ccc(cc1)[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)Nc1cccc2ccccc12
O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1CCOCC1 FC(F)(F)[*:1] O=C(N[C@@H]1CCC[C@H]1c1ccccc1[*:1])C1CCOCC1
O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1CCOCC1 C1CC(CCO1)[*:1] O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[*:1]
O[C@@]1(C(F)(F)F)CC(/C=C\c2cccs2)=NO1 FC(F)(F)[*:1] O[C@]1(CC(/C=C\c2cccs2)=NO1)[*:1]
O[C@@]1(C(F)(F)F)CC(/C=C\c2cccs2)=NO1 c1csc(c1)[*:1] O[C@]1(CC(C=C[*:1])=NO1)C(F)(F)F
C=C(OC(C)=O)c1ccccc1 CC(=O)O[*:1] C=C(c1ccccc1)[*:1]
CCOc1ccc(CCC(=O)Nc2ccccc2C)cc1OC Cc1ccccc1[*:1] CCOc1ccc(cc1OC)CCC(=O)N[*:1]
CCOc1ccc(CCC(=O)Nc2ccccc2C)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CCC(=O)Nc1ccccc1C
Cc1nsc(NC(=O)C2([NH3+])CCCCC2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NC(=O)C2([NH3+])CCCCC2)c1[*:1]
CCN(CC(=O)N(C)c1cccc(C#N)c1)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC(=O)N(C)c1cccc(C#N)c1)[*:1]
C[C@H](c1cccnc1)N(C)C(=O)c1ccc(-n2ccnn2)cc1 c1cncc(c1)[*:1] C[C@H](N(C)C(=O)c1ccc(cc1)-n1ccnn1)[*:1]
C[C@H](c1cccnc1)N(C)C(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] C[C@H](c1cccnc1)N(C)C(=O)c1ccc(cc1)[*:1]
Cc1cc(C)cc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(CS[C@@H]1CC(=O)N(C1=O)[*:1])Nc1ccc(Cl)cc1
Cc1cc(C)cc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)N1C(=O)C[C@@H](SCC(=O)N[*:1])C1=O
COc1ccc(CN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1OC COc1ccc(cc1OC)[*:1] CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(CN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1OC O=S1(=O)CC[C@H](C1)[*:1] COc1ccc(cc1OC)CN(C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C)[*:1]
COc1ccc(CN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1OC ClC(Cl)=C[*:1] COc1ccc(cc1OC)CN(C(=O)[C@@H]1[C@H](C1(C)C)[*:1])[C@@H]1CCS(=O)(=O)C1
C[NH2+][C@H](C)c1cc(F)ccc1OCCN1CCOCC1 C1CN(CCO1)[*:1] C[NH2+][C@H](C)c1cc(F)ccc1OCC[*:1]
CCSc1nnc2c(n1)O[C@H](c1ccco1)N(C(=O)CC)c1ccccc1-2 CCS[*:1] CCC(=O)N1c2ccccc2-c2nnc(nc2O[C@@H]1c1ccco1)[*:1]
CCSc1nnc2c(n1)O[C@H](c1ccco1)N(C(=O)CC)c1ccccc1-2 c1coc(c1)[*:1] CCSc1nnc2-c3ccccc3N(C(=O)CC)[C@@H](Oc2n1)[*:1]
Cc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)cc1 Cc1ccc(cc1)CC[*:1] Cc1nc2ccc(cc2s1)S(=O)(=O)NCC(=O)N[*:1]
Cc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)cc1 Cc1ccc(cc1)C[*:1] Cc1nc2ccc(cc2s1)S(=O)(=O)NCC(=O)NC[*:1]
Cc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)cc1 Cc1ccc(cc1)[*:1] Cc1nc2ccc(cc2s1)S(=O)(=O)NCC(=O)NCC[*:1]
COc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(F)cc3)[nH]n2)cc1 COc1ccc(cc1)[*:1] C/C(=N/NC(=O)c1cc(n[nH]1)[*:1])c1ccc(F)cc1
COc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(F)cc3)[nH]n2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc([nH]n1)C(=O)NN=C(C)[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)N2CCC[C@@H]2C2CCCC2)C1 C1CCC(C1)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N1CCC[C@H]1[*:1]
CC[C@@H](c1ccc2c(c1)CCCC2)c1n[nH]c(=S)n1/N=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC[C@@H](c1ccc2CCCCc2c1)c1n[nH]c(=S)n1N=C[*:1]
CC[C@@H](c1ccc2c(c1)CCCC2)c1n[nH]c(=S)n1/N=C/c1cccc([N+](=O)[O-])c1 c1cc2CCCCc2cc1[*:1] CC[C@@H](c1n[nH]c(=S)n1/N=C/c1cccc(c1)[N+](=O)[O-])[*:1]
CC[C@@H](c1ccc2c(c1)CCCC2)c1n[nH]c(=S)n1/N=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](c1ccc2CCCCc2c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)[*:1]
CC(C)n1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)cn1 CC(C)n1cc(cn1)[*:1] O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)C(=O)N[*:1]
CC(C)n1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)cn1 C1CCC(C1)O[*:1] CC(C)n1cc(cn1)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
CC(C)n1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)cn1 C1CCC(C1)[*:1] CC(C)n1cc(cn1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1O[*:1]
CC(C)n1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)[*:1])C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1
COC(=O)[C@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] COC(=O)[*:1] C[C@H](NC(=O)c1nn(cc1[O-])-c1ccccc1C(F)(F)F)[*:1]
COC(=O)[C@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] COC(=O)[C@H](C)[*:1] O=C(N[*:1])c1nn(cc1[O-])-c1ccccc1C(F)(F)F
COC(=O)[C@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] FC(F)(F)[*:1] COC(=O)[C@H](C)NC(=O)c1nn(cc1[O-])-c1ccccc1[*:1]
Cc1ccc(Cc2c(C)nc3nc(CNc4cccc(C(F)(F)F)c4)nn3c2[O-])cc1 FC(F)(F)[*:1] Cc1ccc(cc1)Cc1c(C)nc2nc(CNc3cccc(c3)[*:1])nn2c1[O-]
Cc1ccc(Cc2c(C)nc3nc(CNc4cccc(C(F)(F)F)c4)nn3c2[O-])cc1 Cc1ccc(cc1)[*:1] Cc1nc2nc(CNc3cccc(c3)C(F)(F)F)nn2c([O-])c1C[*:1]
Cc1ccc(Cc2c(C)nc3nc(CNc4cccc(C(F)(F)F)c4)nn3c2[O-])cc1 Cc1ccc(cc1)C[*:1] Cc1nc2nc(CNc3cccc(c3)C(F)(F)F)nn2c([O-])c1[*:1]
Cc1ccc(Cc2c(C)nc3nc(CNc4cccc(C(F)(F)F)c4)nn3c2[O-])cc1 FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(cc1)Cc1c(C)nc2nc(CN[*:1])nn2c1[O-]
CC(C)[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(N[C@H](c1nc2ccccc2[nH]1)[*:1])c1ccc(cc1)Cn1ccnc1
CC(C)[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1nc2ccccc2[nH]1 c1cn(cn1)C[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1)[*:1])c1nc2ccccc2[nH]1
CC(C)[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1)Cn1ccnc1)[*:1]
CC(C)[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1nc2ccccc2[nH]1 c1cn(cn1)[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1)C[*:1])c1nc2ccccc2[nH]1
O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 c1nnnn1[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)c(c1)S(=O)(=O)NC[C@H]1CCCO1
O=C([O-])Cc1c[nH]c(=S)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O O=C([O-])C[*:1] O=c1c(c[nH]c(=S)n1-c1ccc(Cl)c(c1)C(F)(F)F)[*:1]
O=C([O-])Cc1c[nH]c(=S)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O O=C([O-])[*:1] O=c1c(c[nH]c(=S)n1-c1ccc(Cl)c(c1)C(F)(F)F)C[*:1]
O=C([O-])Cc1c[nH]c(=S)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O FC(F)(F)[*:1] O=C([O-])Cc1c[nH]c(=S)n(-c2ccc(Cl)c(c2)[*:1])c1=O
O=C(CCc1nc(C2CC2)no1)N[C@@H](c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] O=C(CCc1nc(no1)C1CC1)N[C@@H](C1CCCC1)[*:1]
O=C(CCc1nc(C2CC2)no1)N[C@@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] O=C(CCc1nc(no1)C1CC1)N[C@@H](c1ccccc1F)[*:1]
O=C(CCc1nc(C2CC2)no1)N[C@@H](c1ccccc1F)C1CCCC1 C1CC1c1noc(n1)[*:1] O=C(CC[*:1])N[C@@H](c1ccccc1F)C1CCCC1
O=C(CCc1nc(C2CC2)no1)N[C@@H](c1ccccc1F)C1CCCC1 C1CC1[*:1] O=C(CCc1nc(no1)[*:1])N[C@@H](c1ccccc1F)C1CCCC1
O=C(NCc1ccc[nH]1)C(=O)c1ccc(Br)cc1 c1c[nH]c(c1)C[*:1] O=C(N[*:1])C(=O)c1ccc(Br)cc1
O=C(NCc1ccc[nH]1)C(=O)c1ccc(Br)cc1 c1c[nH]c(c1)[*:1] O=C(NC[*:1])C(=O)c1ccc(Br)cc1
COc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 COc1ccc(C)cc1[*:1] O=S(=O)(c1cccs1)N1CCOC12CCN(CC2)S(=O)(=O)[*:1]
COc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 c1csc(c1)[*:1] COc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
CC(C)C[C@H]1CSC(N[C@H]2CCCC2(C)C)=[NH+]1 CC(C)[*:1] CC1(C)CCC[C@@H]1NC1=[NH+][C@H](CS1)C[*:1]
CC(C)C[C@H]1CSC(N[C@H]2CCCC2(C)C)=[NH+]1 CC(C)C[*:1] CC1(C)CCC[C@@H]1NC1=[NH+][C@H](CS1)[*:1]
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc2cc(-c3cccnc3)ccc2o1 FC(F)(F)c1cccc(c1)[*:1] O=C(N1CCC[C@H]1c1nc2cc(ccc2o1)-c1cccnc1)[*:1]
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc2cc(-c3cccnc3)ccc2o1 c1cncc(c1)[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCC[C@H]1c1nc2cc(ccc2o1)[*:1]
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc2cc(-c3cccnc3)ccc2o1 FC(F)(F)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H]1c1nc2cc(ccc2o1)-c1cccnc1
CC[C@H](OC(=O)CCc1cnn(C)c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](OC(=O)CCc1cnn(C)c1)[*:1]
CC[C@H](OC(=O)CCc1cnn(C)c1)c1ccc(C)cc1 Cn1cc(cn1)C[*:1] CC[C@H](OC(=O)C[*:1])c1ccc(C)cc1
CC[C@H](OC(=O)CCc1cnn(C)c1)c1ccc(C)cc1 Cn1cc(cn1)[*:1] CC[C@H](OC(=O)CC[*:1])c1ccc(C)cc1
O=C([O-])/C=C/C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 O=C([O-])[*:1] O=C(C=C[*:1])Nc1ccc(Br)c(c1)[N+](=O)[O-]
O=C([O-])/C=C/C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 O=C([O-])C=C[*:1] O=C(Nc1ccc(Br)c(c1)[N+](=O)[O-])[*:1]
O=C([O-])/C=C/C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C([O-])/C=C/C(=O)Nc1ccc(Br)c(c1)[*:1]
CCCC[C@H]1C(=O)N(C)CCN1Cc1cn2ccc(C)cc2[nH+]1 CCCC[*:1] Cc1ccn2cc(CN3CCN(C)C(=O)[C@@H]3[*:1])[nH+]c2c1
CCCC[C@H]1C(=O)N(C)CCN1Cc1cn2ccc(C)cc2[nH+]1 CCC[*:1] Cc1ccn2cc(CN3CCN(C)C(=O)[C@@H]3C[*:1])[nH+]c2c1
CC(=O)Nc1ccc(NC(=O)CSc2ncccc2C#N)cc1 CC(=O)N[*:1] N#Cc1cccnc1SCC(=O)Nc1ccc(cc1)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC1)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC(C)C)CC1 CC(C)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC1)C[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC(C)C)CC1 CC[S@@](=O)[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 O=[N+]([O-])[*:1] O=C(NNC(=O)c1cccc(c1)[*:1])c1ccc(Br)cc1
C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+]CC(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+]CC(C)(C)[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2n[nH]c(=S)n2C)cc1 Cc1ccc(cc1)[*:1] Cn1c(CNC(=O)[C@H]2CCC(=O)N2C[*:1])n[nH]c1=S
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2n[nH]c(=S)n2C)cc1 Cn1c(n[nH]c1=S)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)NC[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2n[nH]c(=S)n2C)cc1 Cc1ccc(cc1)C[*:1] Cn1c(CNC(=O)[C@H]2CCC(=O)N2[*:1])n[nH]c1=S
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2n[nH]c(=S)n2C)cc1 Cn1c(C[*:1])n[nH]c1=S Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)N[*:1]
CCc1c(C[NH2+]C(C)C)cnn1-c1ccc(F)cc1C CC(C)[*:1] CCc1c(cnn1-c1ccc(F)cc1C)C[NH2+][*:1]
Cc1cc(C)cc(OCC(=O)O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 Cc1cc(C)cc(c1)O[*:1] C[C@@H](OC(=O)C[*:1])C(=O)N[C@H]1CCCc2ccccc21
Cc1cc(C)cc(OCC(=O)O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H](OC(=O)CO[*:1])C(=O)N[C@H]1CCCc2ccccc21
CC(C)[C@H](C)[NH2+][C@H](C)[C@H](O)c1ccc(F)c(F)c1 CC(C)[*:1] C[C@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)c(F)c1)[*:1]
CC(C)[C@H](C)[NH2+][C@H](C)[C@H](O)c1ccc(F)c(F)c1 CC(C)[C@H](C)[*:1] C[C@@H]([NH2+][*:1])[C@H](O)c1ccc(F)c(F)c1
CCOc1cccc([C@H](C)[C@@H](C)O)c1 CCO[*:1] C[C@@H](c1cccc(c1)[*:1])[C@@H](C)O
CCOc1cccc([C@H](C)[C@@H](C)O)c1 C[C@@H](O)[*:1] CCOc1cccc(c1)[C@H](C)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC(C)(C)Cc1ccccc1Cl Clc1ccccc1C[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NC(C)(C)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC(C)(C)Cc1ccccc1Cl Clc1ccccc1[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NC(C)(C)C[*:1]
O=C(Nc1ccccc1I)C1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(Nc1ccccc1I)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1ccccc1I)C1CCN(S(=O)(=O)c2ccccc2F)CC1 Ic1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1F
Cc1cccc(N2C(=S)N[C@H]3C[C@]2(C)Oc2ccc(C)cc23)c1 Cc1cccc(c1)[*:1] Cc1ccc2O[C@@]3(C)C[C@H](NC(=S)N3[*:1])c2c1
O=C(C[C@@H]1CCCc2ccccc2[C@@H]1O)NCCO OCC[*:1] O=C(C[C@@H]1CCCc2ccccc2[C@@H]1O)N[*:1]
O=C(C[C@@H]1CCCc2ccccc2[C@@H]1O)NCCO O=C(NCCO)[*:1] O[C@H]1c2ccccc2CCC[C@H]1C[*:1]
CN(Cc1cccc(C#N)c1)C(=O)NCCc1cccc(C(N)=O)c1 NC(=O)[*:1] CN(Cc1cccc(C#N)c1)C(=O)NCCc1cccc(c1)[*:1]
CN(Cc1cccc(C#N)c1)C(=O)NCCc1cccc(C(N)=O)c1 N#Cc1cccc(c1)[*:1] CN(C[*:1])C(=O)NCCc1cccc(c1)C(N)=O
C[C@H]1CCC[C@H](C)C12NC(=O)N(CC(=O)N(C)Cc1cnn(C)c1)C2=O Cn1cc(cn1)[*:1] C[C@H]1CCC[C@H](C)C12NC(=O)N(CC(=O)N(C)C[*:1])C2=O
C[C@H]1CCC[C@H](C)C12NC(=O)N(CC(=O)N(C)Cc1cnn(C)c1)C2=O Cn1cc(cn1)C[*:1] C[C@H]1CCC[C@H](C)C12NC(=O)N(CC(=O)N(C)[*:1])C2=O
CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1cnn(C(C)(C)C)c1 FC(F)(F)O[*:1] CN(Cc1cccc(c1)[*:1])C(=O)Nc1cnn(c1)C(C)(C)C
CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] CN(Cc1cccc(c1)OC(F)(F)F)C(=O)Nc1cnn(c1)[*:1]
CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Nc1cnn(C(C)(C)C)c1 FC(F)(F)[*:1] CN(Cc1cccc(c1)O[*:1])C(=O)Nc1cnn(c1)C(C)(C)C
CC1(C)C(CNC(=O)N(CC(=O)[O-])CC(=O)[O-])C1(C)C O=C([O-])[*:1] CC1(C)C(CNC(=O)N(CC(=O)[O-])C[*:1])C1(C)C
CC1(C)C(CNC(=O)N(CC(=O)[O-])CC(=O)[O-])C1(C)C O=C([O-])C[*:1] CC1(C)C(CNC(=O)N(CC(=O)[O-])[*:1])C1(C)C
Cc1cc(NC(=O)C(=O)N[C@@H](C)c2nc(C)cs2)c2ncccc2c1 Cc1csc(n1)[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](C)[*:1])c2ncccc2c1
CCOc1ccccc1OC(=O)Cn1cccc(C(F)(F)F)c1=O CCO[*:1] O=C(Cn1cccc(c1=O)C(F)(F)F)Oc1ccccc1[*:1]
CCOc1ccccc1OC(=O)Cn1cccc(C(F)(F)F)c1=O FC(F)(F)[*:1] CCOc1ccccc1OC(=O)Cn1cccc(c1=O)[*:1]
CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 c1coc(c1)C[*:1] CCc1ccc(cc1)C(=O)Nc1cccc(c1)S(=O)(=O)N[*:1]
CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)C(=O)Nc1cccc(c1)S(=O)(=O)NC[*:1]
CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 CCc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)NCc1ccco1)[*:1]
[NH3+]CCc1cc(F)c(OC[C@@H]2CCOC2)c(F)c1 [NH3+]CC[*:1] Fc1cc(cc(F)c1OC[C@@H]1CCOC1)[*:1]
[NH3+]CCc1cc(F)c(OC[C@@H]2CCOC2)c(F)c1 C1C[C@H](CO1)C[*:1] [NH3+]CCc1cc(F)c(O[*:1])c(F)c1
[NH3+]CCc1cc(F)c(OC[C@@H]2CCOC2)c(F)c1 C1C[C@H](CO1)[*:1] [NH3+]CCc1cc(F)c(OC[*:1])c(F)c1
CN(Cc1ccc(C(=O)NC[C@@H]2COCCO2)c(=O)[nH]1)Cc1n[nH]c2c1CCCC2 O=C(NC[C@@H]1COCCO1)[*:1] CN(Cc1ccc(c(=O)[nH]1)[*:1])Cc1n[nH]c2CCCCc12
CN(Cc1ccc(C(=O)NC[C@@H]2COCCO2)c(=O)[nH]1)Cc1n[nH]c2c1CCCC2 C1CCc2c(C[*:1])n[nH]c2C1 CN(Cc1ccc(C(=O)NC[C@@H]2COCCO2)c(=O)[nH]1)[*:1]
CN(Cc1ccc(C(=O)NC[C@@H]2COCCO2)c(=O)[nH]1)Cc1n[nH]c2c1CCCC2 C1CCc2c(n[nH]c2C1)[*:1] CN(Cc1ccc(C(=O)NC[C@@H]2COCCO2)c(=O)[nH]1)C[*:1]
Cc1ccc(-n2c(SCC(N)=O)nc3c(sc4ccccc43)c2=O)cc1 Cc1ccc(cc1)[*:1] NC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1[*:1]
Cc1ccc(-n2c(SCC(N)=O)nc3c(sc4ccccc43)c2=O)cc1 NC(=O)CS[*:1] Cc1ccc(cc1)-n1c(nc2c(sc3ccccc32)c1=O)[*:1]
Cc1ccc(-n2c(SCC(N)=O)nc3c(sc4ccccc43)c2=O)cc1 NC(=O)C[*:1] Cc1ccc(cc1)-n1c(nc2c(sc3ccccc32)c1=O)S[*:1]
Cc1ccc(-n2c(SCC(N)=O)nc3c(sc4ccccc43)c2=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)-n1c(nc2c(sc3ccccc32)c1=O)SC[*:1]
Cc1cccc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)n1 Cc1cccc(n1)[*:1] C[C@H](NC(=O)NC[*:1])C(=O)N1CCCC[C@@H]1C
CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCc3ccc(C)cc3)ccc21 Cc1ccc(cc1)C[*:1] CCCn1nnc2cc(ccc21)S(=O)(=O)N1CCCC[C@@H]1C(=O)N[*:1]
CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCc3ccc(C)cc3)ccc21 CCC[*:1] Cc1ccc(cc1)CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)nnn2[*:1]
CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCc3ccc(C)cc3)ccc21 Cc1ccc(cc1)[*:1] CCCn1nnc2cc(ccc21)S(=O)(=O)N1CCCC[C@@H]1C(=O)NC[*:1]
O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc(C2CC2)on1 C1CC1[*:1] O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc(on1)[*:1]
O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc(C2CC2)on1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1C[C@@H]1[*:1])c1cc(on1)C1CC1
C[C@H]1CCCN(c2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1CCCN(C1)c1ncnc(NNC(=O)c2ccco2)c1[*:1]
C[C@H]1CCCN(c2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])C1 c1coc(c1)[*:1] C[C@H]1CCCN(C1)c1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
C[C@H]1CCCN(c2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])C1 C[C@H]1CCCN(C1)[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1ccco1
CCOC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1C Clc1ccc(c(Cl)c1)[*:1] CCOC(=O)c1cccc(NC(=O)CO[*:1])c1C
CCOC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1C CCOC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)COc1ccc(Cl)cc1Cl
C[NH+](CC(=O)NCC(=O)N1CCCC1)Cc1cc(Br)cs1 O=C(N1CCCC1)[*:1] C[NH+](CC(=O)NC[*:1])Cc1cc(Br)cs1
C[NH+](CC(=O)NCC(=O)N1CCCC1)Cc1cc(Br)cs1 Brc1csc(c1)C[*:1] C[NH+](CC(=O)NCC(=O)N1CCCC1)[*:1]
C[NH+](CC(=O)NCC(=O)N1CCCC1)Cc1cc(Br)cs1 Brc1csc(c1)[*:1] C[NH+](CC(=O)NCC(=O)N1CCCC1)C[*:1]
O=S(=O)(NCCCn1ccc2ccccc21)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=S(=O)(NCCCn1ccc2ccccc21)[*:1]
COc1ccc(Cc2ncc(C(=O)[O-])c(C)n2)cn1 O=C([O-])[*:1] COc1ccc(cn1)Cc1ncc(c(C)n1)[*:1]
COc1cc([C@@](C)(O)C2(C)CC2)ccc1Cl CC1(CC1)[*:1] COc1cc(ccc1Cl)[C@@](C)(O)[*:1]
CC1(C)CC(NC(=O)NCc2ccccc2Cl)CC(C)(C)[NH2+]1 Clc1ccccc1[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)NC[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 O[C@@H](C[*:1])c1ccccc1 C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@@H]1[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 Oc1ccc(cc1)[*:1] C[C@@H](C[*:1])NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1
C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@H]1C[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@H]1C[C@H](O)[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 Oc1ccc(cc1)C[*:1] C[C@@H](NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1)[*:1]
COc1ccc(NC(=O)CCCCO)cc1O OCCCC[*:1] COc1ccc(cc1O)NC(=O)[*:1]
COc1ccc(NC(=O)CCCCO)cc1O OCCC[*:1] COc1ccc(cc1O)NC(=O)C[*:1]
COc1ccc(NC(=O)CCCCO)cc1O OCC[*:1] COc1ccc(cc1O)NC(=O)CC[*:1]
CN(CC(=O)Nc1ccc(Cl)cc1)CC1=NC(=O)C2=C(c3ccccc3Cl)CSC2=N1 O=C(Nc1ccc(Cl)cc1)[*:1] CN(CC1=NC(=O)C2C(=N1)SCC=2c1ccccc1Cl)C[*:1]
CN(CC(=O)Nc1ccc(Cl)cc1)CC1=NC(=O)C2=C(c3ccccc3Cl)CSC2=N1 Clc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])CC1=NC(=O)C2C(=N1)SCC=2c1ccccc1Cl
CN(CC(=O)Nc1ccc(Cl)cc1)CC1=NC(=O)C2=C(c3ccccc3Cl)CSC2=N1 Clc1ccccc1[*:1] CN(CC(=O)Nc1ccc(Cl)cc1)CC1=NC(=O)C2C(=N1)SCC=2[*:1]
C[C@@](O)(CNC(=O)NCCNC(=O)c1ccccc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@](O)(CNC(=O)NCCNC(=O)c1ccccc1)[*:1]
C[C@@](O)(CNC(=O)NCCNC(=O)c1ccccc1)c1ccsc1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)NCCNC(=O)[*:1])c1ccsc1
C=CCn1c(SCC(=O)Nc2ccccc2C)nc2sc3c(c2c1=O)CCCC3 Cc1ccccc1[*:1] C=CCn1c(nc2sc3CCCCc3c2c1=O)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2ccccc2C)nc2sc3c(c2c1=O)CCCC3 C=CC[*:1] Cc1ccccc1NC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1[*:1]
Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)C(C)(C)C)ccc32)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc21)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)C(C)(C)C)ccc32)cc1 CC(C)(C)C(=O)N[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc21)[*:1]
Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)C(C)(C)C)ccc32)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
Cc1ccc([C@](C)([NH3+])CCC(C)C)cc1F CC(C)C[*:1] Cc1ccc(cc1F)[C@](C)([NH3+])C[*:1]
Cc1ccc([C@](C)([NH3+])CCC(C)C)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@](C)([NH3+])CC[*:1]
Cc1ccc([C@](C)([NH3+])CCC(C)C)cc1F CC(C)CC[*:1] Cc1ccc(cc1F)[C@](C)([NH3+])[*:1]
COc1ccc2cc3c([nH+]c2c1)N(c1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1)CC3 O=[N+]([O-])[*:1] COc1ccc2cc3CCN(c4ccc(cc4)C(=O)NNC(=O)c4ccccc4[*:1])c3[nH+]c2c1
COc1ccc2cc3c([nH+]c2c1)N(c1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1)CC3 O=[N+]([O-])c1ccccc1[*:1] COc1ccc2cc3CCN(c4ccc(cc4)C(=O)NNC(=O)[*:1])c3[nH+]c2c1
COC[C@H](C)[NH+]1CCN(CC(=O)Nc2nc3ccccc3s2)CC1 COC[*:1] C[C@H]([NH+]1CCN(CC1)CC(=O)Nc1nc2ccccc2s1)[*:1]
O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)C[*:1] O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)NC[*:1]
O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)NCCc1c[nH]c2ccccc12 Fc1ccccc1[*:1] O=C(CCN1C(=O)SC(=C[*:1])C1=O)NCCc1c[nH]c2ccccc12
O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)NCC[*:1]
Cn1cnc(CNC(=O)NC2(c3cccc(Br)c3)CCC2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])NC1(CCC1)c1cccc(Br)c1
Cn1cnc(CNC(=O)NC2(c3cccc(Br)c3)CCC2)n1 Cn1cnc(C[*:1])n1 O=C(NC1(CCC1)c1cccc(Br)c1)N[*:1]
Cn1cnc(CNC(=O)NC2(c3cccc(Br)c3)CCC2)n1 Brc1cccc(c1)[*:1] Cn1cnc(CNC(=O)NC2(CCC2)[*:1])n1
COc1ccc(-c2ccc(CNC(=O)C3CC[NH+](C(C)C)CC3)cc2)cc1 COc1ccc(cc1)[*:1] CC(C)[NH+]1CCC(CC1)C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(-c2ccc(CNC(=O)C3CC[NH+](C(C)C)CC3)cc2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1ccc(cc1)CNC(=O)C1CC[NH+](CC1)[*:1]
COC[C@H](NC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1ccco1 O=C(N1CCCC1)[*:1] COC[C@H](NC(=O)N1CCN(CC1)[C@H](C)[*:1])c1ccco1
COC[C@H](NC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1ccco1 COC[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)N[C@H](c1ccco1)[*:1]
COC[C@H](NC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1ccco1 C[C@H](C(=O)N1CCCC1)[*:1] COC[C@H](NC(=O)N1CCN(CC1)[*:1])c1ccco1
COC[C@H](NC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1ccco1 c1coc(c1)[*:1] COC[C@H](NC(=O)N1CCN(CC1)[C@H](C)C(=O)N1CCCC1)[*:1]
Cc1cccc(C)c1NC[C@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC[C@H](C)O[*:1]
CSC[C@](C)(O)CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 CSC[*:1] C[C@](O)(CNC(=O)c1cccc(c1)-c1noc(n1)C1CC1)[*:1]
CSC[C@](C)(O)CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1c1nc(no1)[*:1] CSC[C@](C)(O)CNC(=O)c1cccc(c1)[*:1]
CSC[C@](C)(O)CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1[*:1] CSC[C@](C)(O)CNC(=O)c1cccc(c1)-c1noc(n1)[*:1]
CCc1sc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C CS(=O)(=O)[*:1] CCc1sc(cc1C)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc(CSCC(=O)NNc2ccccc2C(F)(F)F)cc1 Cc1ccc(cc1)C[*:1] O=C(CS[*:1])NNc1ccccc1C(F)(F)F
Cc1ccc(CSCC(=O)NNc2ccccc2C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] O=C(CSC[*:1])NNc1ccccc1C(F)(F)F
Cc1ccc(CSCC(=O)NNc2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)CSCC(=O)NNc1ccccc1[*:1]
Cc1cc(C(=O)NCC(=O)NC2CCCCCC2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(CNC(=O)[*:1])NC1CCCCCC1
Cc1cc(C(=O)NCC(=O)NC2CCCCCC2)n(C)n1 C1CCCC(CC1)[*:1] Cc1cc(C(=O)NCC(=O)N[*:1])n(C)n1
CCNC(=O)c1cccc(CNC(=O)[C@H]2COc3ccccc3C2)c1 CCNC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1COc2ccccc2C1
COC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2cc(C)on2)c(Cl)c1 Cc1cc(no1)[*:1] COC(=O)c1ccc(NC(=O)N2CCCC[C@H]2[*:1])c(Cl)c1
COC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2cc(C)on2)c(Cl)c1 COC(=O)[*:1] Cc1cc(no1)[C@H]1CCCCN1C(=O)Nc1ccc(cc1Cl)[*:1]
CCOC(=O)c1nn(-c2ccc3c(c2)CCN3C(C)=O)cc1[O-] CCOC(=O)[*:1] CC(=O)N1CCc2cc(ccc21)-n1cc([O-])c(n1)[*:1]
COc1ccccc1N1CC[C@H](NC(=O)Cc2cccc(OCC#N)c2)C1 N#CCO[*:1] COc1ccccc1N1CC[C@@H](C1)NC(=O)Cc1cccc(c1)[*:1]
COc1ccccc1N1CC[C@H](NC(=O)Cc2cccc(OCC#N)c2)C1 N#CC[*:1] COc1ccccc1N1CC[C@@H](C1)NC(=O)Cc1cccc(c1)O[*:1]
COc1ccccc1N1CC[C@H](NC(=O)Cc2cccc(OCC#N)c2)C1 COc1ccccc1[*:1] N#CCOc1cccc(c1)CC(=O)N[C@H]1CCN(C1)[*:1]
CCN1C(=O)[C@](C)(C(=O)Nc2c(C)nsc2C)Sc2ccccc21 Cc1nsc(C)c1[*:1] CCN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)N[*:1]
CN1CCO[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)C1 c1ccc(cc1)[*:1] CN1CCO[C@@H](C1)C(=O)N[C@@H](c1ccc2nc[nH]c2c1)[*:1]
C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 Fc1ccccc1[*:1] C[C@H](CC[*:1])C(=O)N1CCC[C@H](C1)[NH+]1CCCC1
C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 Fc1ccccc1C[*:1] C[C@H](C[*:1])C(=O)N1CCC[C@H](C1)[NH+]1CCCC1
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(OC(F)F)cc1 C1CN(CCO1)[*:1] O=C(NC[C@@H](c1ccc(F)cc1)[*:1])c1ccc(cc1)OC(F)F
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(cc1)[*:1]
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(cc1)O[*:1]
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(OC(F)F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1ccc(cc1)OC(F)F
O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccccc1Cn1cncn1 Clc1ccccc1[*:1] O=C(Nc1ncc(C[*:1])s1)c1ccccc1Cn1cncn1
O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccccc1Cn1cncn1 Clc1ccccc1C[*:1] O=C(Nc1ncc(s1)[*:1])c1ccccc1Cn1cncn1
O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccccc1Cn1cncn1 c1ncn(n1)[*:1] O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccccc1C[*:1]
O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccccc1Cn1cncn1 c1ncn(C[*:1])n1 O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccccc1[*:1]
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccnc(-n2cncn2)c1 COC(=O)[*:1] O=C(N[C@H]1CCCCC[C@H]1[*:1])c1ccnc(c1)-n1cncn1
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccnc(-n2cncn2)c1 c1ncn(n1)[*:1] COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccnc(c1)[*:1]
COC(=O)C1=C(C)C(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)=N[C@H]1C C1CN(CCO1)[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)NC[C@@H](c1ccc(F)cc1)[*:1]
COC(=O)C1=C(C)C(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)=N[C@H]1C Fc1ccc(cc1)[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)NC[C@@H](N1CCOCC1)[*:1]
COC(=O)C1=C(C)C(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1
C=CCOc1ccccc1/C=C1\S/C(=N/c2cccc(C)n2)N(C)C1=O Cc1cccc(n1)[*:1] C=CCOc1ccccc1/C=C1\SC(=N[*:1])N(C)C1=O
C=CCOc1ccccc1/C=C1\S/C(=N/c2cccc(C)n2)N(C)C1=O C=CCO[*:1] Cc1cccc(/N=C2/S/C(=C\c3ccccc3[*:1])C(=O)N2C)n1
C=CCOc1ccccc1/C=C1\S/C(=N/c2cccc(C)n2)N(C)C1=O C=CC[*:1] Cc1cccc(/N=C2/S/C(=C\c3ccccc3O[*:1])C(=O)N2C)n1
Cc1cccc(O[C@H](C)CNC(=O)NCc2ncn(C)n2)c1 Cn1cnc(n1)[*:1] Cc1cccc(c1)O[C@H](C)CNC(=O)NC[*:1]
Cc1cccc(O[C@H](C)CNC(=O)NCc2ncn(C)n2)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)NCc1ncn(C)n1)O[*:1]
Cc1cccc(O[C@H](C)CNC(=O)NCc2ncn(C)n2)c1 Cn1cnc(C[*:1])n1 Cc1cccc(c1)O[C@H](C)CNC(=O)N[*:1]
CCN(C(=O)c1ccc(CNS(C)(=O)=O)o1)C1CCCCC1 CS(=O)(=O)N[*:1] CCN(C(=O)c1ccc(C[*:1])o1)C1CCCCC1
CCN(C(=O)c1ccc(CNS(C)(=O)=O)o1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)c1ccc(CNS(C)(=O)=O)o1)[*:1]
CCN(C(=O)c1ccc(CNS(C)(=O)=O)o1)C1CCCCC1 CS(=O)(=O)NC[*:1] CCN(C(=O)c1ccc(o1)[*:1])C1CCCCC1
Cc1ccccc1[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2ccoc2)C1 c1cc(co1)[*:1] Cc1ccccc1[C@@H]1CCN(C1)C(=O)[C@H](C)NC(=O)[*:1]
Cc1ccccc1[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2ccoc2)C1 Cc1ccccc1[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H](C1)[*:1]
Cc1ccccc1[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2ccoc2)C1 O=C(N[*:1])c1ccoc1 Cc1ccccc1[C@@H]1CCN(C1)C(=O)[C@H](C)[*:1]
O=C(Nc1c[nH]nc1-c1ccccn1)N[C@H]1CCc2ccc(F)cc21 c1ccc(nc1)[*:1] O=C(Nc1c[nH]nc1[*:1])N[C@H]1CCc2ccc(F)cc21
Cc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1F c1nc(cs1)C[*:1] Cc1ccc(cc1F)NC(=O)c1ccccc1O[*:1]
Cc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1F Cc1ccc(cc1F)[*:1] O=C(N[*:1])c1ccccc1OCc1cscn1
Cc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1F c1nc(cs1)[*:1] Cc1ccc(cc1F)NC(=O)c1ccccc1OC[*:1]
Cc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1F c1nc(cs1)CO[*:1] Cc1ccc(cc1F)NC(=O)c1ccccc1[*:1]
O=S(=O)(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=S(=O)(NCc1cc(-c2ccccn2)n(n1)C1CCCC1)[*:1]
O=S(=O)(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)c1ccc2c(c1)OCCO2 c1ccc(nc1)[*:1] O=S(=O)(NCc1cc(n(n1)C1CCCC1)[*:1])c1ccc2OCCOc2c1
O=S(=O)(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)c1ccc2c(c1)OCCO2 C1CCC(C1)[*:1] O=S(=O)(NCc1cc(-c2ccccn2)n(n1)[*:1])c1ccc2OCCOc2c1
Cc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)CCC(=O)[*:1]
Cc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)C(=O)CCC(=O)Nc1ccc(C)c(c1)[*:1]
CC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)C[*:1] CC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(C1=O)[*:1]
CC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] CC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(C[*:1])C1=O
CC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O Clc1ccc(cc1)[*:1] CC[C@H]1S/C(=N\N=C[*:1])N(Cc2ccc(F)cc2)C1=O
CC(C)Cn1ccnc1C[NH2+]Cc1cnc(-c2ccsc2)s1 c1cc(cs1)[*:1] CC(C)Cn1ccnc1C[NH2+]Cc1cnc(s1)[*:1]
CC(C)Cn1ccnc1C[NH2+]Cc1cnc(-c2ccsc2)s1 CC(C)C[*:1] c1cn(c(C[NH2+]Cc2cnc(s2)-c2ccsc2)n1)[*:1]
CC(C)Cn1ccnc1C[NH2+]Cc1cnc(-c2ccsc2)s1 CC(C)[*:1] c1cn(C[*:1])c(C[NH2+]Cc2cnc(s2)-c2ccsc2)n1
COCCOc1ccc(C(=O)Oc2ccc(C)cc2)cc1 COCCO[*:1] Cc1ccc(cc1)OC(=O)c1ccc(cc1)[*:1]
COCCOc1ccc(C(=O)Oc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COCCOc1ccc(cc1)C(=O)O[*:1]
COCCOc1ccc(C(=O)Oc2ccc(C)cc2)cc1 COCC[*:1] Cc1ccc(cc1)OC(=O)c1ccc(cc1)O[*:1]
COCCOc1ccc(C(=O)Oc2ccc(C)cc2)cc1 COC[*:1] Cc1ccc(cc1)OC(=O)c1ccc(cc1)OC[*:1]
CC(C)Cn1ccnc(Nc2cccc(OC[C@H]3CCCO3)c2)c1=O C1CO[C@H](C1)CO[*:1] CC(C)Cn1ccnc(Nc2cccc(c2)[*:1])c1=O
CC(C)Cn1ccnc(Nc2cccc(OC[C@H]3CCCO3)c2)c1=O C1CO[C@H](C1)[*:1] CC(C)Cn1ccnc(Nc2cccc(c2)OC[*:1])c1=O
CC(C)Cn1ccnc(Nc2cccc(OC[C@H]3CCCO3)c2)c1=O CC(C)C[*:1] O=c1c(nccn1[*:1])Nc1cccc(c1)OC[C@H]1CCCO1
CC(C)Cn1ccnc(Nc2cccc(OC[C@H]3CCCO3)c2)c1=O CC(C)[*:1] O=c1c(nccn1C[*:1])Nc1cccc(c1)OC[C@H]1CCCO1
CC(C)Cn1ccnc(Nc2cccc(OC[C@H]3CCCO3)c2)c1=O C1CO[C@H](C1)C[*:1] CC(C)Cn1ccnc(Nc2cccc(c2)O[*:1])c1=O
Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(-c2cccs2)n1 FC(F)[*:1] Cn1cc(C(=O)Nc2cc(ccc2O[*:1])[N+](=O)[O-])c(n1)-c1cccs1
Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(-c2cccs2)n1 FC(F)O[*:1] Cn1cc(C(=O)Nc2cc(ccc2[*:1])[N+](=O)[O-])c(n1)-c1cccs1
Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(-c2cccs2)n1 O=[N+]([O-])[*:1] Cn1cc(C(=O)Nc2cc(ccc2OC(F)F)[*:1])c(n1)-c1cccs1
Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(C(=O)Nc2cc(ccc2OC(F)F)[N+](=O)[O-])c(n1)[*:1]
CC[C@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)c1ccc(Br)cc1 C1CC1[*:1] CC[C@H](NC(=O)c1sc(cc1C)NC(=O)[*:1])c1ccc(Br)cc1
CC[C@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1sc(cc1C)NC(=O)C1CC1)[*:1]
CC[C@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)c1ccc(Br)cc1 O=C(N[*:1])C1CC1 CC[C@H](NC(=O)c1sc(cc1C)[*:1])c1ccc(Br)cc1
C[C@H]1CN(C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)C[C@@H](C)S1 C1CC1[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)/C=C/c1ccc(cc1)C(=O)N[*:1]
C[C@H]1CN(C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)C[C@@H](C)S1 O=C(NC1CC1)[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)/C=C/c1ccc(cc1)[*:1]
CC(C)(C[NH2+]Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(C[NH2+]Cc1ccc(Cl)c(Cl)c1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N([C@H]1C=CS(=O)(=O)C1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 O=[N+]([O-])[*:1] O=S1(=O)C=C[C@@H](C1)N(c1ccccc1)S(=O)(=O)c1ccc(cc1)[*:1]
CCc1ccc2oc(C(=O)NC[C@@H](C)Oc3ccc(Cl)cc3)cc(=O)c2c1 Clc1ccc(cc1)[*:1] CCc1ccc2oc(cc(=O)c2c1)C(=O)NC[C@@H](C)O[*:1]
CCc1ccc2oc(C(=O)NC[C@@H](C)Oc3ccc(Cl)cc3)cc(=O)c2c1 Clc1ccc(cc1)O[*:1] CCc1ccc2oc(cc(=O)c2c1)C(=O)NC[C@@H](C)[*:1]
CCCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)C[NH+](CC)CC CCC[*:1] CC[NH+](CC)C[C@H](C)n1c(=S)[nH]c2c(nn(C)c21)[*:1]
CC(=O)Nc1sc(N/N=C/c2cccs2)nc1-c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)-c1nc(N/N=C/c2cccs2)sc1[*:1]
CC(=O)Nc1sc(N/N=C/c2cccs2)nc1-c1ccc(C)cc1 c1csc(c1)[*:1] CC(=O)Nc1sc(nc1-c1ccc(C)cc1)NN=C[*:1]
CC(=O)Nc1sc(N/N=C/c2cccs2)nc1-c1ccc(C)cc1 C(=N/N[*:1])\c1cccs1 CC(=O)Nc1sc(nc1-c1ccc(C)cc1)[*:1]
CC(=O)Nc1sc(N/N=C/c2cccs2)nc1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1sc(nc1[*:1])N/N=C/c1cccs1
O=[N+]([O-])c1cc(Cl)ccc1OC1C[NH2+]C1 O=[N+]([O-])[*:1] Clc1ccc(OC2C[NH2+]C2)c(c1)[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N/N=C/c1cn(nc1-c1cccnc1)-c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N/N=C/c1cn(nc1-c1cccnc1)[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N/N=C/c1cn(nc1[*:1])-c1ccccc1
C#CCOc1ccc(/C=N/O)cc1OC C#CCO[*:1] COc1cc(/C=N/O)ccc1[*:1]
C#CCOc1ccc(/C=N/O)cc1OC ON=C[*:1] C#CCOc1ccc(cc1OC)[*:1]
C#CCOc1ccc(/C=N/O)cc1OC C#CC[*:1] COc1cc(/C=N/O)ccc1O[*:1]
CCOc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc[nH]3)o2)cc1 CCO[*:1] C[C@H](Sc1nnc(o1)-c1ccc[nH]1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc[nH]3)o2)cc1 c1c[nH]c(c1)[*:1] CCOc1ccc(cc1)NC(=O)[C@H](C)Sc1nnc(o1)[*:1]
COCC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C COCC[*:1] Cc1cc(N)c(cc1S(=O)(=O)N[C@H](C)[*:1])[N+](=O)[O-]
COCC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C COC[*:1] Cc1cc(N)c(cc1S(=O)(=O)N[C@H](C)C[*:1])[N+](=O)[O-]
COCC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C O=[N+]([O-])[*:1] COCC[C@@H](C)NS(=O)(=O)c1cc(c(N)cc1C)[*:1]
COCC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C COCC[C@@H](C)[*:1] Cc1cc(N)c(cc1S(=O)(=O)N[*:1])[N+](=O)[O-]
O=C(Nc1cccnc1)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 c1cncc(c1)[*:1] O=C(N[*:1])C1C[C@@H](CNc2ncc(cc2Cl)C(F)(F)F)ON=1
O=C(Nc1cccnc1)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 FC(F)(F)[*:1] O=C(Nc1cccnc1)C1C[C@@H](CNc2ncc(cc2Cl)[*:1])ON=1
COC[C@H](C)Nc1ccc2nnnn2n1 COC[*:1] C[C@H](Nc1ccc2nnnn2n1)[*:1]
COC[C@H](C)Nc1ccc2nnnn2n1 COC[C@H](C)[*:1] c1cc2nnnn2nc1N[*:1]
N#Cc1cccc(NC(=O)CS(=O)(=O)c2nc3ccccc3[nH]2)c1 N#Cc1cccc(c1)[*:1] O=C(CS(=O)(=O)c1nc2ccccc2[nH]1)N[*:1]
COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(OC)c1OC Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc2c(c1)CCCN2C(=O)Cc1cccc(OCC#N)c1 N#CCO[*:1] Cc1ccc2c(c1)CCCN2C(=O)Cc1cccc(c1)[*:1]
Cc1ccc2c(c1)CCCN2C(=O)Cc1cccc(OCC#N)c1 N#CC[*:1] Cc1ccc2c(c1)CCCN2C(=O)Cc1cccc(c1)O[*:1]
C[C@@H](CCCCl)[NH2+]Cc1nn(C)c2ccccc12 ClCC[*:1] C[C@@H](C[*:1])[NH2+]Cc1nn(C)c2ccccc12
C[C@@H](CCCCl)[NH2+]Cc1nn(C)c2ccccc12 ClCCC[*:1] C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)[*:1]
CN(C)C(=O)[C@@H]1CCCN1C(=O)COc1ccc2c(c1)CCC(=O)N2 CN(C)C(=O)[*:1] O=C1CCc2cc(ccc2N1)OCC(=O)N1CCC[C@H]1[*:1]
COc1ccc(C(=O)O[C@@H](C)[C@H]2CCCO2)cc1F C1CO[C@H](C1)[*:1] COc1ccc(cc1F)C(=O)O[C@@H](C)[*:1]
CC(=O)N(C)CC(=O)O[C@H]1C=C(c2ccc(Cl)cc2)CC1 CC(=O)N(C)[*:1] O=C(C[*:1])O[C@H]1C=C(CC1)c1ccc(Cl)cc1
CC(=O)N(C)CC(=O)O[C@H]1C=C(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC(=O)N(C)CC(=O)O[C@H]1C=C(CC1)[*:1]
CC(=O)N(C)CC(=O)O[C@H]1C=C(c2ccc(Cl)cc2)CC1 CC(=O)N(C)C[*:1] O=C(O[C@H]1C=C(CC1)c1ccc(Cl)cc1)[*:1]
CC1CCC(CN(C)C(=O)C(=O)Nc2cc(F)cc(F)c2)CC1 CC1CCC(CC1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1cc(F)cc(F)c1
Cc1ccc2nc(COc3ccc(C(=O)N[C@@H](C)c4cccnc4)cc3)cn2c1 c1cncc(c1)[*:1] Cc1ccc2nc(cn2c1)COc1ccc(cc1)C(=O)N[C@@H](C)[*:1]
CCc1cc2oc(=O)cc(CSc3nncn3-c3ccccc3OC)c2cc1Cl COc1ccccc1[*:1] CCc1cc2oc(=O)cc(CSc3nncn3[*:1])c2cc1Cl
CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 CCCNC(=O)N[*:1] Clc1ccc(cc1)[C@@H](C[*:1])N1CCOCC1
CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 Clc1ccc(cc1)[*:1] CCCNC(=O)NC[C@H](N1CCOCC1)[*:1]
CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 CCC[*:1] O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)N[*:1]
CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 C1CN(CCO1)[*:1] CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)[*:1]
CCN1C(=O)[C@](O)(CC(=O)c2ccccc2[N+](=O)[O-])c2cc(Br)ccc21 O=[N+]([O-])[*:1] CCN1C(=O)[C@](O)(CC(=O)c2ccccc2[*:1])c2cc(Br)ccc21
O=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 C1CCC(C1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(s1)[N+](=O)[O-])[*:1]
O=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 O=[N+]([O-])[*:1] O=C(C1CCCC1)N1CCN(CC1)S(=O)(=O)c1ccc(s1)[*:1]
O=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 O=[N+]([O-])c1ccc(s1)[*:1] O=C(C1CCCC1)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(CN2C(=O)[C@H](CCC(=O)Nc3ccc(Cl)c(Cl)c3)N=C2O)cc1 Clc1ccc(cc1Cl)[*:1] COc1ccc(cc1)CN1C(=O)[C@H](CCC(=O)N[*:1])N=C1O
COc1ccc(CN2C(=O)[C@H](CCC(=O)Nc3ccc(Cl)c(Cl)c3)N=C2O)cc1 COc1ccc(cc1)[*:1] O=C(CC[C@@H]1N=C(O)N(C[*:1])C1=O)Nc1ccc(Cl)c(Cl)c1
COc1ccc(CN2C(=O)[C@H](CCC(=O)Nc3ccc(Cl)c(Cl)c3)N=C2O)cc1 COc1ccc(cc1)C[*:1] O=C(CC[C@@H]1N=C(O)N(C1=O)[*:1])Nc1ccc(Cl)c(Cl)c1
Fc1ccc(Cn2c(CN3CCOCC3)nc3ccccc32)cc1 C1CN(CCO1)C[*:1] Fc1ccc(cc1)Cn1c(nc2ccccc21)[*:1]
Fc1ccc(Cn2c(CN3CCOCC3)nc3ccccc32)cc1 C1CN(CCO1)[*:1] Fc1ccc(cc1)Cn1c(C[*:1])nc2ccccc21
Fc1ccc(Cn2c(CN3CCOCC3)nc3ccccc32)cc1 Fc1ccc(cc1)C[*:1] c1ccc2c(c1)nc(CN1CCOCC1)n2[*:1]
Fc1ccc(Cn2c(CN3CCOCC3)nc3ccccc32)cc1 Fc1ccc(cc1)[*:1] c1ccc2c(c1)nc(CN1CCOCC1)n2C[*:1]
O=C(NCc1nnc2n1CC[NH+](Cc1cccs1)CC2)c1ccccn1 c1ccc(nc1)[*:1] O=C(NCc1nnc2CC[NH+](CCn21)Cc1cccs1)[*:1]
O=C(NCc1nnc2n1CC[NH+](Cc1cccs1)CC2)c1ccccn1 c1csc(c1)C[*:1] O=C(NCc1nnc2CC[NH+](CCn21)[*:1])c1ccccn1
O=C(NCc1nnc2n1CC[NH+](Cc1cccs1)CC2)c1ccccn1 c1csc(c1)[*:1] O=C(NCc1nnc2CC[NH+](CCn21)C[*:1])c1ccccn1
CC[C@H]1COCCN1C(=O)NCCc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@H]1COCCN1C(=O)NCCc1csc(n1)[*:1]
CCc1ccccc1N1C[C@@H](C(=O)N[C@H](C)C(C)C)CC1=O CC(C)[*:1] CCc1ccccc1N1C[C@H](CC1=O)C(=O)N[C@H](C)[*:1]
CCc1ccccc1N1C[C@@H](C(=O)N[C@H](C)C(C)C)CC1=O CC(C)[C@@H](C)[*:1] CCc1ccccc1N1C[C@H](CC1=O)C(=O)N[*:1]
CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NC[C@H](C)c2ccccc2)CC1 C[C@@H](C[*:1])c1ccccc1 CC(=O)N1CCC(CC1)Oc1ccc(Cl)cc1C(=O)N[*:1]
CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NC[C@H](C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)Oc1ccc(Cl)cc1C(=O)NC[C@H](C)[*:1]
CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NC[C@H](C)c2ccccc2)CC1 C[C@H](c1ccccc1)[*:1] CC(=O)N1CCC(CC1)Oc1ccc(Cl)cc1C(=O)NC[*:1]
CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NC[C@H](C)c2ccccc2)CC1 CC(=O)N1CCC(CC1)[*:1] C[C@@H](CNC(=O)c1cc(Cl)ccc1O[*:1])c1ccccc1
CCCC[C@@H](NC(=O)C1CC=CC1)c1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)[C@@H](C[*:1])NC(=O)C1CC=CC1
CCCC[C@@H](NC(=O)C1CC=CC1)c1ccc(OC)cc1 CCCC[*:1] COc1ccc(cc1)[C@H](NC(=O)C1CC=CC1)[*:1]
CC(=O)Oc1c(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)c(=O)n(C)c2ccccc12 Clc1ccc(cc1)[*:1] CC(=O)Oc1c(C2C[C@@H](N(N=2)C(C)=O)[*:1])c(=O)n(C)c2ccccc12
CC(=O)Oc1c(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)c(=O)n(C)c2ccccc12 CC(=O)O[*:1] CC(=O)N1N=C(C[C@H]1c1ccc(Cl)cc1)c1c(c2ccccc2n(C)c1=O)[*:1]
CCOC(=O)[C@@H](C)Nc1nc2c(C)cccc2s1 CCOC(=O)[*:1] Cc1cccc2sc(nc12)N[C@H](C)[*:1]
CC(C)(O)CNC(=O)c1cc2cccc(F)c2o1 CC(C)(O)C[*:1] O=C(N[*:1])c1cc2cccc(F)c2o1
CC(C)(O)CNC(=O)c1cc2cccc(F)c2o1 CC(C)(O)[*:1] O=C(NC[*:1])c1cc2cccc(F)c2o1
C/C(=N\NC(=O)COc1ccc(Cl)cc1C)c1cccc(O)c1 Oc1cccc(c1)[*:1] CC(=NNC(=O)COc1ccc(Cl)cc1C)[*:1]
O=c1ccc2ccc(OCc3nc(-c4cccc(Cl)c4)no3)cc2o1 Clc1cccc(c1)[*:1] O=c1ccc2ccc(cc2o1)OCc1nc(no1)[*:1]
O=C(CSc1ncnc2sc3c(c12)CCCC3)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(CSc1ncnc2sc3CCCCc3c12)NC[*:1]
O=C(CSc1ncnc2sc3c(c12)CCCC3)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(CSc1ncnc2sc3CCCCc3c12)N[*:1]
CCNC(=O)c1ccc(NCCOc2ccccc2)[nH+]n1 c1ccc(cc1)[*:1] CCNC(=O)c1ccc(NCCO[*:1])[nH+]n1
CCNC(=O)c1ccc(NCCOc2ccccc2)[nH+]n1 c1ccc(cc1)O[*:1] CCNC(=O)c1ccc(NCC[*:1])[nH+]n1
CCNC(=O)c1ccc(NCCOc2ccccc2)[nH+]n1 CCNC(=O)[*:1] c1ccc(cc1)OCCNc1ccc(n[nH+]1)[*:1]
Cc1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)c1 Cc1cccc(c1)NC(=O)[*:1] C[C@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12)[*:1]
Cc1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12)C(=O)N[*:1]
COc1ccc2c(c1)=C(CCNC(=O)C(=O)Nc1ccc(Cl)cn1)C[NH+]=2 Clc1ccc(nc1)[*:1] COc1ccc2=[NH+]CC(CCNC(=O)C(=O)N[*:1])=c2c1
Cc1ccccc1NC(=O)[C@@H]1CC(=O)O[C@H]1c1ccccc1 Cc1ccccc1[*:1] O=C1C[C@@H](C(=O)N[*:1])[C@@H](O1)c1ccccc1
Cc1ccccc1NC(=O)[C@@H]1CC(=O)O[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)[C@@H]1CC(=O)O[C@@H]1[*:1]
Clc1ncc(Cl)c(NCCc2cscn2)n1 c1nc(cs1)[*:1] Clc1ncc(Cl)c(n1)NCC[*:1]
COC(=O)c1sc(NC(=O)c2ccc(-c3cscn3)cc2)nc1C COC(=O)[*:1] Cc1nc(NC(=O)c2ccc(cc2)-c2cscn2)sc1[*:1]
COC(=O)c1sc(NC(=O)c2ccc(-c3cscn3)cc2)nc1C c1nc(cs1)[*:1] COC(=O)c1sc(nc1C)NC(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1sc2nc(/C(Cl)=C/c3ccc(OC)c(OC)c3)[nH]c(=O)c2c1C CCOC(=O)[*:1] COc1ccc(/C=C(\Cl)c2nc3sc(c(C)c3c(=O)[nH]2)[*:1])cc1OC
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCC1(C(C)C)CC1 CC(C)C1(CC1)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCC1(C(C)C)CC1 CC(C)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCC1(CC1)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCC1(C(C)C)CC1 CC(C)C1(CC1)C[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[*:1]
Cc1nc(N2CCCC2)cc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1 O=C(N[*:1])c1ccccc1 Cc1nc(cc(n1)N1CCN(CC1)C(=O)C[*:1])N1CCCC1
Cc1nc(N2CCCC2)cc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1nc(cc(n1)N1CCN(CC1)C(=O)CNC(=O)[*:1])N1CCCC1
Cc1nc(N2CCCC2)cc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1 O=C(NC[*:1])c1ccccc1 Cc1nc(cc(n1)N1CCN(CC1)C(=O)[*:1])N1CCCC1
Cc1nc(N2CCCC2)cc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)n1 C1CCN(C1)[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)CNC(=O)c1ccccc1
O=C(Nc1ccccc1)c1cccc(CSc2nnc(C3CCCCC3)o2)c1 O=C(Nc1ccccc1)[*:1] c1cc(cc(c1)[*:1])CSc1nnc(o1)C1CCCCC1
O=C(Nc1ccccc1)c1cccc(CSc2nnc(C3CCCCC3)o2)c1 C1CCC(CC1)[*:1] O=C(Nc1ccccc1)c1cccc(c1)CSc1nnc(o1)[*:1]
O=C(Nc1ccccc1)c1cccc(CSc2nnc(C3CCCCC3)o2)c1 c1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)CSc1nnc(o1)C1CCCCC1
O=C(CC1CCCCC1)Nc1nccs1 c1csc(n1)[*:1] O=C(CC1CCCCC1)N[*:1]
Cc1cc(NC(=O)CSc2nc3cc(C)c(C)cc3[nH]2)no1 Cc1cc(no1)[*:1] Cc1cc2nc([nH]c2cc1C)SCC(=O)N[*:1]
Cn1c(SCc2cn3ccsc3n2)nnc1N1CCOCC1 C1CN(CCO1)[*:1] Cn1c(nnc1[*:1])SCc1cn2ccsc2n1
C[C@@](CO)(NC(=O)Nc1cc2c(cc1Cl)OCCCO2)C1CC1 C1CC1[*:1] C[C@@](CO)(NC(=O)Nc1cc2OCCCOc2cc1Cl)[*:1]
COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@H]2c1cccc(NS(C)(=O)=O)c1 CS(=O)(=O)N[*:1] COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@H]2c1cccc(c1)[*:1]
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1C#N CS(=O)(=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)Cc1ccccc1C#N
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1nc2c(F)cccc2s1 O=C(NCc1cccnc1)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1nc2c(F)cccc2s1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1nc2c(F)cccc2s1 c1cncc(c1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)NC[*:1])c1nc2c(F)cccc2s1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1nc2c(F)cccc2s1 Fc1cccc2sc(nc12)[*:1] O=C(NCc1cccnc1)[C@H](Cc1ccccc1)NC(=O)[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1nc2c(F)cccc2s1 c1cncc(c1)C[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1nc2c(F)cccc2s1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1nc2c(F)cccc2s1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)NCc1cccnc1)c1nc2c(F)cccc2s1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1nc2c(F)cccc2s1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)NCc1cccnc1)[*:1])c1nc2c(F)cccc2s1
COc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc4c(c3)CCC4)cc2)cc1 c1cc2CCCc2cc1[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1SCC(=O)N1[*:1]
COc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc4c(c3)CCC4)cc2)cc1 COc1ccc(cc1)[*:1] O=C1CS[C@H](c2ccc(cc2)NC(=O)[*:1])N1c1ccc2CCCc2c1
Cc1ccc(-c2noc(-c3ccno3)n2)cc1 c1cc(on1)[*:1] Cc1ccc(cc1)-c1noc(n1)[*:1]
C[C@@H]1CCCC[C@H]1N(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H]1CCCC[C@H]1N(C)C(=O)CCS(=O)(=O)[*:1]
COc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@H](O)[*:1]
COc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@H](O)c1cccc(F)c1 COc1ccccc1[*:1] O=C(NC[C@H](O)c1cccc(F)c1)[C@H]1C[C@H]1[*:1]
Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Oc3cnccn3)cc1)CCC2 c1cnc(cn1)O[*:1] Fc1ccc2CCC[C@H]([NH2+]Cc3ccc(cc3)[*:1])c2c1
Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Oc3cnccn3)cc1)CCC2 c1cnc(cn1)[*:1] Fc1ccc2CCC[C@H]([NH2+]Cc3ccc(cc3)O[*:1])c2c1
N#CCCCS(=O)(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 N#CCCC[*:1] O=S(=O)(NCC1(CCC1)c1ccc(Cl)cc1Cl)[*:1]
N#CCCCS(=O)(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 N#CCC[*:1] O=S(=O)(C[*:1])NCC1(CCC1)c1ccc(Cl)cc1Cl
N#CCCCS(=O)(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 N#CC[*:1] O=S(=O)(CC[*:1])NCC1(CCC1)c1ccc(Cl)cc1Cl
CCN1CCc2nc(NC(=O)CCCOc3ccc(Cl)cc3Cl)sc2C1 Clc1ccc(c(Cl)c1)[*:1] CCN1CCc2nc(NC(=O)CCCO[*:1])sc2C1
CC(C)Cn1c(N)c(C(=O)C[NH+]2CCN(C)c3ccccc3C2)c(=O)[nH]c1=O CC(C)[*:1] CN1CC[NH+](CC(=O)c2c(N)n(C[*:1])c(=O)[nH]c2=O)Cc2ccccc21
CC(C)Cn1c(N)c(C(=O)C[NH+]2CCN(C)c3ccccc3C2)c(=O)[nH]c1=O CC(C)C[*:1] CN1CC[NH+](CC(=O)c2c(N)n(c(=O)[nH]c2=O)[*:1])Cc2ccccc21
Fc1ccccc1NC1CC[NH+](Cc2cccc3cn[nH]c23)CC1 Fc1ccccc1N[*:1] c1cc(C[NH+]2CCC(CC2)[*:1])c2[nH]ncc2c1
Fc1ccccc1NC1CC[NH+](Cc2cccc3cn[nH]c23)CC1 Fc1ccccc1[*:1] c1cc(C[NH+]2CCC(CC2)N[*:1])c2[nH]ncc2c1
Cc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] Cc1ccc(cc1)C(=O)N(C)C[*:1]
C[C@@H](C(=O)N(c1ccccc1)c1ccccc1)n1c(=O)oc2ccccc21 c1ccc(cc1)[*:1] C[C@@H](C(=O)N(c1ccccc1)[*:1])n1c(=O)oc2ccccc21
C[C@@H]1OC(=O)C(c2n[nH]c(=O)c3ccccc23)=C1c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@@H]1OC(=O)C(=C1c1ccc(cc1)[*:1])c1n[nH]c(=O)c2ccccc12
O=C(CNc1ccccc1OC(F)(F)F)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] O=C(CNc1ccccc1O[*:1])N(c1ccccc1)[C@H]1CCS(=O)(=O)C1
O=C(CNc1ccccc1OC(F)(F)F)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CNc1ccccc1OC(F)(F)F)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(CNc1ccccc1OC(F)(F)F)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 FC(F)(F)O[*:1] O=C(CNc1ccccc1[*:1])N(c1ccccc1)[C@H]1CCS(=O)(=O)C1
Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ccc(cc1C)[*:1]
Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)CS(=O)(=O)[*:1])[N+](=O)[O-]
O=C(NCC[C@H]1CCCO1)c1ccc(Cl)cc1O C1CO[C@H](C1)[*:1] O=C(NCC[*:1])c1ccc(Cl)cc1O
O=C(NCC[C@H]1CCCO1)c1ccc(Cl)cc1O C1CO[C@H](C1)C[*:1] O=C(NC[*:1])c1ccc(Cl)cc1O
CCOc1cc(CNC(=O)Cc2noc3ccccc23)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])CNC(=O)Cc1noc2ccccc12
O=C1O[C@H](Cc2ccccn2)C(=O)[C@@H]1C1=[NH+]CCCCN1 c1ccc(C[*:1])nc1 O=C1O[C@H](C(=O)[C@@H]1C1NCCCC[NH+]=1)[*:1]
O=C1O[C@H](Cc2ccccn2)C(=O)[C@@H]1C1=[NH+]CCCCN1 c1ccc(nc1)[*:1] O=C1O[C@H](C[*:1])C(=O)[C@@H]1C1NCCCC[NH+]=1
CC[C@H]1CCCCN1C(=O)COC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] CC[C@H]1CCCCN1C(=O)COC(=O)[*:1]
CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@@H](CO)c1cc(F)c(F)c(F)c1 CC(C)[*:1] C[C@@H](C(=O)N[C@@H](CO)c1cc(F)c(F)c(F)c1)S(=O)(=O)[*:1]
CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@@H](CO)c1cc(F)c(F)c(F)c1 CC(C)S(=O)(=O)[*:1] C[C@@H](C(=O)N[C@@H](CO)c1cc(F)c(F)c(F)c1)[*:1]
CC[C@@H]([NH3+])Cc1ccc(OCC2CC2)cn1 C1CC1C[*:1] CC[C@@H]([NH3+])Cc1ccc(cn1)O[*:1]
CC[C@@H]([NH3+])Cc1ccc(OCC2CC2)cn1 C1CC1[*:1] CC[C@@H]([NH3+])Cc1ccc(cn1)OC[*:1]
CC[C@@H]([NH3+])Cc1ccc(OCC2CC2)cn1 C1CC1CO[*:1] CC[C@@H]([NH3+])Cc1ccc(cn1)[*:1]
O=C(Cc1ccc(NC(=O)c2cnc3ccoc3c2)cc1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cnc2ccoc2c1
O=C(Cc1ccc(NC(=O)c2cnc3ccoc3c2)cc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cnc2ccoc2c1)N[*:1]
O=C(Cc1ccc(NC(=O)c2cnc3ccoc3c2)cc1)Nc1ccccc1 c1cc2ncc(cc2o1)[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])Nc1ccccc1
COC[C@H](C)NC(=O)N(C1CCCC1)C1CC1 COC[C@H](C)[*:1] O=C(N[*:1])N(C1CCCC1)C1CC1
COC[C@H](C)NC(=O)N(C1CCCC1)C1CC1 C1CCC(C1)[*:1] COC[C@H](C)NC(=O)N(C1CC1)[*:1]
COC[C@H](C)NC(=O)N(C1CCCC1)C1CC1 COC[*:1] C[C@H](NC(=O)N(C1CCCC1)C1CC1)[*:1]
COC[C@H](C)NC(=O)N(C1CCCC1)C1CC1 C1CC1[*:1] COC[C@H](C)NC(=O)N(C1CCCC1)[*:1]
C=C[C@@H](CC(=O)N1C[C@@H](C)NC(=O)c2ccc(F)cc21)c1ccccc1 c1ccc(cc1)[*:1] C=C[C@@H](CC(=O)N1C[C@@H](C)NC(=O)c2ccc(F)cc21)[*:1]
O=C(N[C@@H](c1ccccc1)C1CCC1)c1ccc2c(c1)COCO2 c1ccc(cc1)[*:1] O=C(N[C@@H](C1CCC1)[*:1])c1ccc2OCOCc2c1
O=C(N[C@@H](c1ccccc1)C1CCC1)c1ccc2c(c1)COCO2 C1CC(C1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1ccc2OCOCc2c1
CCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br CCCCNC(=O)[*:1] O=C(N/C(=C\c1ccc2OCOc2c1)[*:1])c1ccccc1Br
CCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br CCCC[*:1] O=C(N[*:1])/C(=C/c1ccc2OCOc2c1)NC(=O)c1ccccc1Br
CCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br Brc1ccccc1[*:1] CCCCNC(=O)/C(=C/c1ccc2OCOc2c1)NC(=O)[*:1]
CCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br c1cc2OCOc2cc1[*:1] CCCCNC(=O)C(=C[*:1])NC(=O)c1ccccc1Br
CCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br CCC[*:1] O=C(NC[*:1])/C(=C/c1ccc2OCOc2c1)NC(=O)c1ccccc1Br
O=C(CSc1ccccc1)N1CCC(Cc2ccc(-n3cccc3)cc2)CC1 c1ccc(cc1)S[*:1] O=C(C[*:1])N1CCC(CC1)Cc1ccc(cc1)-n1cccc1
O=C(CSc1ccccc1)N1CCC(Cc2ccc(-n3cccc3)cc2)CC1 c1ccc(cc1)SC[*:1] O=C(N1CCC(CC1)Cc1ccc(cc1)-n1cccc1)[*:1]
O=C(CSc1ccccc1)N1CCC(Cc2ccc(-n3cccc3)cc2)CC1 c1ccn(c1)[*:1] O=C(CSc1ccccc1)N1CCC(CC1)Cc1ccc(cc1)[*:1]
O=C(CSc1ccccc1)N1CCC(Cc2ccc(-n3cccc3)cc2)CC1 c1ccc(cc1)[*:1] O=C(CS[*:1])N1CCC(CC1)Cc1ccc(cc1)-n1cccc1
CCCc1cc(NC(=O)N(CC)C2CCCCC2)n(C)n1 C1CCC(CC1)[*:1] CCCc1cc(NC(=O)N(CC)[*:1])n(C)n1
CCCc1cc(NC(=O)N(CC)C2CCCCC2)n(C)n1 CCC[*:1] CCN(C(=O)Nc1cc(nn1C)[*:1])C1CCCCC1
O=C(Nc1nnc(C(F)F)s1)N(CCCCO)C1CC1 OCCC[*:1] O=C(Nc1nnc(s1)C(F)F)N(C[*:1])C1CC1
O=C(Nc1nnc(C(F)F)s1)N(CCCCO)C1CC1 OCC[*:1] O=C(Nc1nnc(s1)C(F)F)N(CC[*:1])C1CC1
O=C(Nc1nnc(C(F)F)s1)N(CCCCO)C1CC1 FC(F)[*:1] O=C(Nc1nnc(s1)[*:1])N(CCCCO)C1CC1
O=C(Nc1nnc(C(F)F)s1)N(CCCCO)C1CC1 OCCCC[*:1] O=C(Nc1nnc(s1)C(F)F)N(C1CC1)[*:1]
O=C(Nc1nnc(C(F)F)s1)N(CCCCO)C1CC1 C1CC1[*:1] O=C(Nc1nnc(s1)C(F)F)N(CCCCO)[*:1]
CCN[C@@H](Cc1cc(Cl)ccc1Cl)C(C)(C)[NH+](C)C CCN[*:1] C[NH+](C)C(C)(C)[C@H](Cc1cc(Cl)ccc1Cl)[*:1]
C[C@H](CO)CNc1ccc(C(=O)N(C)C)nn1 C[C@H](CO)C[*:1] CN(C)C(=O)c1ccc(nn1)N[*:1]
C[C@H](CO)CNc1ccc(C(=O)N(C)C)nn1 C[C@H](CO)[*:1] CN(C)C(=O)c1ccc(nn1)NC[*:1]
C[C@H](CO)CNc1ccc(C(=O)N(C)C)nn1 CN(C)C(=O)[*:1] C[C@H](CO)CNc1ccc(nn1)[*:1]
Cc1ccccc1C(=O)NC(NC(=O)c1ccccc1C)c1ccc(Cl)cc1 Cc1ccccc1[*:1] Cc1ccccc1C(=O)NC(NC(=O)[*:1])c1ccc(Cl)cc1
Cc1ccccc1C(=O)NC(NC(=O)c1ccccc1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1C(=O)NC(NC(=O)c1ccccc1C)[*:1]
COc1ccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])c1cccc(c1)-c1ccc(s1)S(=O)(=O)N1CCOCC1
COc1ccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1)CNC(=O)c1cccc(c1)-c1ccc(s1)[*:1]
COc1ccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1cccc(c1)-c1ccc(s1)S(=O)(=O)N1CCOCC1
Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[C@@H](C(N)=O)C3)cnc21 NC(=O)[*:1] Cn1c(=O)[nH]c(=O)c2cc(cnc21)C(=O)N1CC[C@@H](C1)[*:1]
CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 CC(=O)C[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N=C(S[*:1])N2c1ccccc1
CC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 CC(=O)[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N=C(SC[*:1])N2c1ccccc1
CC[C@]1(C(=O)NCC[C@@H](C)O)CCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CC[C@@]1(CCCN1C(=O)O[*:1])C(=O)NCC[C@@H](C)O
CC[C@]1(C(=O)NCC[C@@H](C)O)CCCN1C(=O)OC(C)(C)C C[C@@H](O)[*:1] CC[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)NCC[*:1]
CC[C@]1(C(=O)NCC[C@@H](C)O)CCCN1C(=O)OC(C)(C)C C[C@@H](O)CC[*:1] CC[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)N[*:1]
CC[C@]1(C(=O)NCC[C@@H](C)O)CCCN1C(=O)OC(C)(C)C C[C@@H](O)C[*:1] CC[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)NC[*:1]
Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+][C@@H](CO)c1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+][C@@H](CO)[*:1]
C[C@@H](Cl)c1nnc([C@H]2CSc3ccccc32)o1 C[C@@H](Cl)[*:1] c1ccc2c(c1)SC[C@@H]2c1nnc(o1)[*:1]
Cc1nc(Oc2cccc(C(F)(F)F)c2)c2c(C)c(C)sc2n1 FC(F)(F)[*:1] Cc1nc(Oc2cccc(c2)[*:1])c2c(C)c(C)sc2n1
C/C(=C\CC[NH3+])C[C@@H]1CCCO1 [NH3+]CC[*:1] CC(=C[*:1])C[C@@H]1CCCO1
CC(C)c1cc(NC(=O)Cn2ccccc2=O)no1 CC(C)[*:1] O=C(Cn1ccccc1=O)Nc1cc(on1)[*:1]
Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)nc3)s2)o1 Cc1ccc(o1)[*:1] Cc1nc(sc1C(=O)Nc1ccc(nc1)N1CCOCC1)[*:1]
Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)nc3)s2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)-c1nc(C)c(s1)C(=O)Nc1ccc(nc1)[*:1]
COc1ccc(CN2Cc3cc(NC(=O)c4ccc(F)cc4F)ccc3OCC2=O)c(OC)c1 COc1ccc(C[*:1])c(c1)OC O=C(Nc1ccc2OCC(=O)N(Cc2c1)[*:1])c1ccc(F)cc1F
COc1ccc(CN2Cc3cc(NC(=O)c4ccc(F)cc4F)ccc3OCC2=O)c(OC)c1 O=C(N[*:1])c1ccc(F)cc1F COc1ccc(CN2Cc3cc(ccc3OCC2=O)[*:1])c(c1)OC
COc1ccc(CN2Cc3cc(NC(=O)c4ccc(F)cc4F)ccc3OCC2=O)c(OC)c1 Fc1ccc(c(F)c1)[*:1] COc1ccc(CN2Cc3cc(ccc3OCC2=O)NC(=O)[*:1])c(c1)OC
COc1ccc(CN2Cc3cc(NC(=O)c4ccc(F)cc4F)ccc3OCC2=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(Nc1ccc2OCC(=O)N(Cc2c1)C[*:1])c1ccc(F)cc1F
Cc1sc(NC(=O)C2CC2)c(C(=O)NCc2n[nH]c(=S)n2C(C)C)c1C O=C(N[*:1])C1CC1 Cc1sc(c(C(=O)NCc2n[nH]c(=S)n2C(C)C)c1C)[*:1]
Cc1sc(NC(=O)C2CC2)c(C(=O)NCc2n[nH]c(=S)n2C(C)C)c1C C1CC1[*:1] Cc1sc(NC(=O)[*:1])c(C(=O)NCc2n[nH]c(=S)n2C(C)C)c1C
Cc1sc(NC(=O)C2CC2)c(C(=O)NCc2n[nH]c(=S)n2C(C)C)c1C CC(C)[*:1] Cc1sc(NC(=O)C2CC2)c(C(=O)NCc2n[nH]c(=S)n2[*:1])c1C
CCC[NH2+][C@@H](COCC)[C@@H]1CCO[C@]2(CCOC2)C1 CCO[*:1] CCC[NH2+][C@@H](C[*:1])[C@@H]1CCO[C@]2(CCOC2)C1
CCC[NH2+][C@@H](COCC)[C@@H]1CCO[C@]2(CCOC2)C1 CCOC[*:1] CCC[NH2+][C@@H]([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
CCC[NH2+][C@@H](COCC)[C@@H]1CCO[C@]2(CCOC2)C1 CCC[*:1] CCOC[C@H]([NH2+][*:1])[C@@H]1CCO[C@]2(CCOC2)C1
Cc1ccc([C@H](C)OC(=O)[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@H](C)OC(=O)[C@H]1CCOc2ccccc21
COc1ccc(NC(=O)Cn2ccnc2)c([N+](=O)[O-])c1 c1cn(cn1)C[*:1] COc1ccc(NC(=O)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)Cn2ccnc2)c([N+](=O)[O-])c1 c1cn(cn1)[*:1] COc1ccc(NC(=O)C[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)Cn2ccnc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)Cn2ccnc2)c(c1)[*:1]
Cc1nn(Cc2csc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(Cc2csc(c2)[N+](=O)[O-])c(C)c1[*:1]
Cc1nn(Cc2csc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(Cc2csc(c2)[*:1])c(C)c1[N+](=O)[O-]
COc1cccc(NC(=O)N2CCc3ccc(NC(=O)c4ccncc4)cc3C2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc2CCN(Cc2c1)C(=O)N[*:1])c1ccncc1
COc1cccc(NC(=O)N2CCc3ccc(NC(=O)c4ccncc4)cc3C2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)NC(=O)N1CCc2ccc(cc2C1)NC(=O)[*:1]
COc1cccc(NC(=O)N2CCc3ccc(NC(=O)c4ccncc4)cc3C2)c1 O=C(N[*:1])c1ccncc1 COc1cccc(c1)NC(=O)N1CCc2ccc(cc2C1)[*:1]
CC[NH+](CC(=O)NCc1ccccc1[N+](=O)[O-])C1CCCC1 C1CCC(C1)[*:1] CC[NH+](CC(=O)NCc1ccccc1[N+](=O)[O-])[*:1]
CC[NH+](CC(=O)NCc1ccccc1[N+](=O)[O-])C1CCCC1 O=[N+]([O-])[*:1] CC[NH+](CC(=O)NCc1ccccc1[*:1])C1CCCC1
CC(C)C[C@H](C[NH3+])C(=O)N1CCC[C@H]1c1ccc[nH]1 CC(C)[*:1] [NH3+]C[C@@H](C[*:1])C(=O)N1CCC[C@H]1c1ccc[nH]1
CC(C)C[C@H](C[NH3+])C(=O)N1CCC[C@H]1c1ccc[nH]1 CC(C)C[*:1] [NH3+]C[C@H](C(=O)N1CCC[C@H]1c1ccc[nH]1)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N1CCC[C@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] CC(C)C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1 Cc1ccc(Cl)cc1[*:1] Cn1cc(cc1C(=O)N1CCN(CC1)[*:1])S(=O)(=O)N1CCCCC1
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cc(cn1C)[*:1]
C[C@@H]([NH2+]C[C@]1(C)CCCO1)C(=O)NC1CC1 C1CC1[*:1] C[C@@H]([NH2+]C[C@]1(C)CCCO1)C(=O)N[*:1]
Cc1cncc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1ccco1
Cc1cncc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1 c1coc(c1)[*:1] Cc1cncc(c1)NC(=O)[C@H]1CCCN1C(=O)[*:1]
COc1cccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 COc1cccc(c1)[*:1] Cn1c(=O)c2c(nc3N(CCn32)[*:1])n(C)c1=O
Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C#N)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1noc(C)c1COc1cccc(c1)C(=O)N[C@@H](C#N)[*:1]
Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C#N)C(C)(C)C)c1 Cc1noc(C)c1[*:1] CC(C)(C)[C@H](C#N)NC(=O)c1cccc(c1)OC[*:1]
Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C#N)C(C)(C)C)c1 Cc1noc(C)c1C[*:1] CC(C)(C)[C@H](C#N)NC(=O)c1cccc(c1)O[*:1]
Cc1nc(-c2ccc(CC(=O)N[C@H]3CCc4ccccc43)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Cc1ccc(cc1)[*:1])N[C@H]1CCc2ccccc21
CC(C)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 CC(C)[*:1] CN1C(=O)C[C@H](C(=O)NC[*:1])[C@@H]1c1cccs1
CC(C)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 c1csc(c1)[*:1] CC(C)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1[*:1]
CC(C)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 CC(C)C[*:1] CN1C(=O)C[C@H](C(=O)N[*:1])[C@@H]1c1cccs1
O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCCC2)cc1 O=[N+]([O-])[*:1] O[C@@H](COc1ccc(cc1)[*:1])C[NH+]1CCCC1
Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)c1 Cc1cccc(c1)[*:1] O=C(N[C@H]1CCN(C1)c1cccc(Cl)c1)C(=O)N[*:1]
Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)C(=O)N[C@H]1CCN(C1)[*:1]
C[C@@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(Br)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)Cn1c(nc2ccccc21)[*:1])c1ccc(Br)cc1
C[C@@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1c(nc2ccccc21)C(F)(F)F)[*:1]
C[C@@H]1CC(C(=O)N(C)CCc2nccs2)C[C@@H](C)O1 c1csc(C[*:1])n1 C[C@@H]1CC(C[C@@H](C)O1)C(=O)N(C)C[*:1]
C[C@@H]1CC(C(=O)N(C)CCc2nccs2)C[C@@H](C)O1 c1csc(n1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N(C)CC[*:1]
Cc1nc(NCCCO)cc(-c2cncc(-c3ccccc3)c2)n1 c1ccc(cc1)[*:1] Cc1nc(cc(n1)-c1cncc(c1)[*:1])NCCCO
Cc1nc(NCCCO)cc(-c2cncc(-c3ccccc3)c2)n1 OCCCN[*:1] Cc1nc(cc(n1)[*:1])-c1cncc(c1)-c1ccccc1
Cc1nc(NCCCO)cc(-c2cncc(-c3ccccc3)c2)n1 OCC[*:1] Cc1nc(cc(n1)-c1cncc(c1)-c1ccccc1)NC[*:1]
Cc1nc(NCCCO)cc(-c2cncc(-c3ccccc3)c2)n1 OCCC[*:1] Cc1nc(cc(n1)-c1cncc(c1)-c1ccccc1)N[*:1]
Cc1ccc(CN(C)C(=O)NNC(=O)CCOc2ccccc2)s1 Cc1ccc(C[*:1])s1 CN(C(=O)NNC(=O)CCOc1ccccc1)[*:1]
Cc1ccc(CN(C)C(=O)NNC(=O)CCOc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(CN(C)C(=O)NNC(=O)CCO[*:1])s1
Cc1ccc(CN(C)C(=O)NNC(=O)CCOc2ccccc2)s1 Cc1ccc(s1)[*:1] CN(C[*:1])C(=O)NNC(=O)CCOc1ccccc1
Cc1ccc(CN(C)C(=O)NNC(=O)CCOc2ccccc2)s1 c1ccc(cc1)O[*:1] Cc1ccc(CN(C)C(=O)NNC(=O)CC[*:1])s1
Cc1ccc(CN(C)C(=O)NNC(=O)CCOc2ccccc2)s1 c1ccc(cc1)OC[*:1] Cc1ccc(CN(C)C(=O)NNC(=O)C[*:1])s1
CCOC(=O)c1ccc(CN2C(=O)N[C@](C)(C3CC3)C2=O)o1 C1CC1[*:1] CCOC(=O)c1ccc(CN2C(=O)N[C@](C)(C2=O)[*:1])o1
CCOC(=O)c1ccc(CN2C(=O)N[C@](C)(C3CC3)C2=O)o1 CCOC(=O)[*:1] C[C@@]1(NC(=O)N(Cc2ccc(o2)[*:1])C1=O)C1CC1
C[C@H](NC(=O)CN(C[C@@H](C)O)c1ccccc1)c1ccccc1 C[C@@H](O)[*:1] C[C@H](NC(=O)CN(C[*:1])c1ccccc1)c1ccccc1
C[C@H](NC(=O)CN(C[C@@H](C)O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CN(C[C@@H](C)O)[*:1])c1ccccc1
C[C@H](NC(=O)CN(C[C@@H](C)O)c1ccccc1)c1ccccc1 C[C@@H](O)C[*:1] C[C@H](NC(=O)CN(c1ccccc1)[*:1])c1ccccc1
C[C@H](NC(=O)CN(C[C@@H](C)O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CN(C[C@@H](C)O)c1ccccc1)[*:1]
CC[C@@H](C)C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 CC(=O)N[*:1] CC[C@@H](C)C(=O)Nc1nc(cs1)-c1ccc(C[*:1])s1
CC[C@@H](C)C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 CC[C@@H](C)[*:1] CC(=O)NCc1ccc(s1)-c1csc(n1)NC(=O)[*:1]
CC[C@@H](C)C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 CC(=O)NC[*:1] CC[C@@H](C)C(=O)Nc1nc(cs1)-c1ccc(s1)[*:1]
CC[C@@H](C)C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 CC[C@@H](C)C(=O)N[*:1] CC(=O)NCc1ccc(s1)-c1csc(n1)[*:1]
CCC[C@H]([NH2+]C)C(OC)OC CCC[*:1] C[NH2+][C@H](C(OC)OC)[*:1]
Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c(=O)[nH]1 Cc1ccc(c(=O)[nH]1)[*:1] N#C[C@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)N2CCN(CC2)[C@H](C#N)[*:1])c(=O)[nH]1
O=C(Cc1ccc(F)c(F)c1)N[C@H]1COC[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Cc1ccc(F)c(F)c1)N[C@H]1COC[C@H]1[*:1]
C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C[C@H](C)O1 c1cnc(nc1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)N[C@@H]1CCCN(C1)[*:1]
COC(OCC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COC(OCC[NH+]1CCCCC1)(c1ccccc1)[*:1]
COc1cc(F)cc(C[NH2+]CC(C)C)c1 CC(C)[*:1] COc1cc(F)cc(c1)C[NH2+]C[*:1]
COc1cc(F)cc(C[NH2+]CC(C)C)c1 CC(C)C[*:1] COc1cc(F)cc(c1)C[NH2+][*:1]
O=C(CNS(=O)(=O)c1cccs1)NC[C@@H]1C[C@H](F)C[NH2+]1 c1csc(c1)[*:1] O=C(CNS(=O)(=O)[*:1])NC[C@@H]1C[C@H](F)C[NH2+]1
Cc1cccc(C)c1OCCN1C(=O)C(=O)c2cc(Cl)cc(Cl)c21 Cc1cccc(C)c1[*:1] O=C1C(=O)N(CCO[*:1])c2c(Cl)cc(Cl)cc21
Cc1ccccc1C[C@H](C)NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 Cc1ccccc1[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
Cc1ccn2ncc(C(=O)N3CCN(C(=O)NC4CCCCC4)CC3)c2c1 C1CCC(CC1)[*:1] Cc1ccn2ncc(C(=O)N3CCN(CC3)C(=O)N[*:1])c2c1
Cc1occc1-c1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)o1 c1cc2OCCOc2cc1[*:1] Cc1occc1-c1nnc(o1)SCC(=O)N1CCC[C@H]1[*:1]
Cc1occc1-c1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)o1 Cc1occc1[*:1] O=C(CSc1nnc(o1)[*:1])N1CCC[C@@H]1c1ccc2OCCOc2c1
C[C@@]1(CO)CCC[C@H]1NC(=O)N[C@@H](c1ccccc1)c1ccco1 c1coc(c1)[*:1] C[C@@]1(CO)CCC[C@H]1NC(=O)N[C@@H](c1ccccc1)[*:1]
C[C@@]1(CO)CCC[C@H]1NC(=O)N[C@@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] C[C@@]1(CO)CCC[C@H]1NC(=O)N[C@@H](c1ccco1)[*:1]
Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]3NC(=O)CN3CCOC3=O)CC2)c1 O=C1OCCN1[*:1] Cc1cccc(c1)N1CCC(CC1)[NH2+][C@@H]1CC[C@@H]1NC(=O)C[*:1]
Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]3NC(=O)CN3CCOC3=O)CC2)c1 O=C1OCCN1C[*:1] Cc1cccc(c1)N1CCC(CC1)[NH2+][C@@H]1CC[C@@H]1NC(=O)[*:1]
Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]3NC(=O)CN3CCOC3=O)CC2)c1 Cc1cccc(c1)[*:1] O=C(CN1CCOC1=O)N[C@H]1CC[C@H]1[NH2+]C1CCN(CC1)[*:1]
COC(=O)COc1ccc(/C=C2/NC(C)=C(C(=O)OC)C2=O)cc1 COC(=O)[*:1] COC(=O)COc1ccc(/C=C2/NC(C)=C(C2=O)[*:1])cc1
COC(=O)COc1ccc(/C=C2/NC(C)=C(C(=O)OC)C2=O)cc1 COC(=O)[*:1] COC(=O)C1C(=O)/C(=C\c2ccc(cc2)OC[*:1])NC=1C
COC(=O)COc1ccc(/C=C2/NC(C)=C(C(=O)OC)C2=O)cc1 COC(=O)C[*:1] COC(=O)C1C(=O)/C(=C\c2ccc(cc2)O[*:1])NC=1C
COC(=O)COc1ccc(/C=C2/NC(C)=C(C(=O)OC)C2=O)cc1 COC(=O)CO[*:1] COC(=O)C1C(=O)/C(=C\c2ccc(cc2)[*:1])NC=1C
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1 Fc1ccccc1N[*:1] CCOc1ccc(cc1)-c1csc(n1)C(C#N)=C[*:1]
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1 CCO[*:1] N#C/C(=C\Nc1ccccc1F)c1nc(cs1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1 Fc1ccccc1[*:1] CCOc1ccc(cc1)-c1csc(n1)/C(C#N)=C/N[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)CCCc2ccccc2)C1 c1ccc(cc1)CC[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N(C)C[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)CCCc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N(C)CCC[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)CCCc2ccccc2)C1 CC(C)C[*:1] CN(CCCc1ccccc1)C(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)CCCc2ccccc2)C1 CC(C)[*:1] CN(CCCc1ccccc1)C(=O)[C@H]1CCCN(C1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)CCCc2ccccc2)C1 c1ccc(cc1)C[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N(C)CC[*:1]
CC(=O)N[C@H](CC(=O)NN(c1ccccc1)c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)NN(c1ccccc1)[*:1])c1cccs1
CC(=O)N[C@H](CC(=O)NN(c1ccccc1)c1ccccc1)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@H](CC(=O)NN(c1ccccc1)c1ccccc1)[*:1]
CC(=O)N[C@H](CC(=O)NN(c1ccccc1)c1ccccc1)c1cccs1 CC(=O)N[*:1] O=C(C[C@H](c1cccs1)[*:1])NN(c1ccccc1)c1ccccc1
COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O COC(=O)C[*:1] O=c1[nH]c2ccccc2c(=O)n1[*:1]
COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O COC(=O)[*:1] O=c1[nH]c2ccccc2c(=O)n1C[*:1]
Clc1ccc(CN2CC[NH+](Cc3cc[nH]c3)CC2)cn1 c1cc(c[nH]1)C[*:1] Clc1ccc(cn1)CN1CC[NH+](CC1)[*:1]
Clc1ccc(CN2CC[NH+](Cc3cc[nH]c3)CC2)cn1 c1cc(c[nH]1)[*:1] Clc1ccc(cn1)CN1CC[NH+](CC1)C[*:1]
CC(C)CC[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)N1CC[NH+](CC1)CC[*:1]
CC(C)CC[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 CC(C)C[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)N1CC[NH+](CC1)C[*:1]
CC(C)CC[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 CC(C)CC[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)N1CC[NH+](CC1)[*:1]
CCNC(=O)CNC(=O)NNC(=O)C(C)(C)C CC(C)(C)[*:1] CCNC(=O)CNC(=O)NNC(=O)[*:1]
CCNC(=O)CNC(=O)NNC(=O)C(C)(C)C CCNC(=O)[*:1] CC(C)(C)C(=O)NNC(=O)NC[*:1]
CC(C)(C)[NH2+]Cc1cncc(-n2cc(C(F)(F)F)cn2)n1 FC(F)(F)[*:1] CC(C)(C)[NH2+]Cc1cncc(n1)-n1cc(cn1)[*:1]
CC(C)(C)[NH2+]Cc1cncc(-n2cc(C(F)(F)F)cn2)n1 CC(C)(C)[*:1] FC(F)(F)c1cnn(c1)-c1cncc(C[NH2+][*:1])n1
CC(C)[C@@H]([NH2+][C@H](C)CC(=O)N1CCCCCC1)c1nc(C2CC2)no1 CC(C)[*:1] C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](c1nc(no1)C1CC1)[*:1]
CC(C)[C@@H]([NH2+][C@H](C)CC(=O)N1CCCCCC1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H]([NH2+][C@H](C)CC(=O)N1CCCCCC1)c1nc(no1)[*:1]
CC(C)[C@@H]([NH2+][C@H](C)CC(=O)N1CCCCCC1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@@H]([NH2+][C@H](C)CC(=O)N1CCCCCC1)[*:1]
COCc1cc(Cl)nc(-c2ccccc2C2CC2)n1 COC[*:1] Clc1cc(nc(n1)-c1ccccc1C1CC1)[*:1]
COCc1cc(Cl)nc(-c2ccccc2C2CC2)n1 C1CC1[*:1] COCc1cc(Cl)nc(n1)-c1ccccc1[*:1]
Cc1ccc(S(=O)(=O)NC2(c3ccc(F)cc3)CCC2)c2cccnc12 Fc1ccc(cc1)[*:1] Cc1ccc(c2cccnc12)S(=O)(=O)NC1(CCC1)[*:1]
Cc1cccc(Cl)c1Nc1ccccc1CC(=O)[O-] O=C([O-])[*:1] Cc1cccc(Cl)c1Nc1ccccc1C[*:1]
Cc1cccc(Cl)c1Nc1ccccc1CC(=O)[O-] O=C([O-])C[*:1] Cc1cccc(Cl)c1Nc1ccccc1[*:1]
CCOc1ccccc1[C@H](C)OC(=O)Cc1c(C)nn(C)c1C CCO[*:1] Cc1nn(C)c(C)c1CC(=O)O[C@@H](C)c1ccccc1[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](CC(C)C)CC3)cc2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)NC(=O)C1CC[NH+](CC1)C[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](CC(C)C)CC3)cc2)n1 Cc1cc(C)n(n1)[*:1] CC(C)C[NH+]1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)[nH]n1 Fc1cccc(c1)[*:1] Cc1cc([nH]n1)C(=O)N/N=C/c1ccc(cc1)OC(=O)[*:1]
Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(Oc1ccc(/C=N/NC(=O)[*:1])cc1)c1cccc(F)c1
CC1(C)C[NH+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C1(C)C O=C(NC1CC1)[*:1] CC1(C)C[NH+](CC(=O)NCc2cccc(c2)[*:1])C1(C)C
CC1(C)C[NH+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C1(C)C C1CC1[*:1] CC1(C)C[NH+](CC(=O)NCc2cccc(c2)C(=O)N[*:1])C1(C)C
Cc1ccoc1[C@H](C)[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccoc1[C@H](C)[NH2+]CCCC(=O)N1CCN(CC1)[*:1]
Cc1ccoc1[C@H](C)[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 Cc1ccoc1[*:1] C[C@H]([NH2+]CCCC(=O)N1CCN(CC1)c1ccccc1)[*:1]
Cn1c(SCC[S@](=O)c2ccccc2)nnc1-c1ccco1 c1ccc(cc1)[*:1] Cn1c(nnc1-c1ccco1)SCC[S@](=O)[*:1]
Cn1c(SCC[S@](=O)c2ccccc2)nnc1-c1ccco1 c1coc(c1)[*:1] Cn1c(nnc1[*:1])SCC[S@](=O)c1ccccc1
CC(=O)N1CCN(c2ccnc3c2c(=O)n(CC(=O)Nc2ccccc2F)c(=O)n3C)CC1 O=C(Nc1ccccc1F)[*:1] CC(=O)N1CCN(CC1)c1ccnc2c1c(=O)n(C[*:1])c(=O)n2C
CC(=O)N1CCN(c2ccnc3c2c(=O)n(CC(=O)Nc2ccccc2F)c(=O)n3C)CC1 Fc1ccccc1[*:1] CC(=O)N1CCN(CC1)c1ccnc2c1c(=O)n(CC(=O)N[*:1])c(=O)n2C
CC(=O)N1CCN(c2ccnc3c2c(=O)n(CC(=O)Nc2ccccc2F)c(=O)n3C)CC1 CC(=O)N1CCN(CC1)[*:1] Cn1c(=O)n(CC(=O)Nc2ccccc2F)c(=O)c2c(ccnc21)[*:1]
CC(=O)N1CCN(c2ccnc3c2c(=O)n(CC(=O)Nc2ccccc2F)c(=O)n3C)CC1 O=C(C[*:1])Nc1ccccc1F CC(=O)N1CCN(CC1)c1ccnc2c1c(=O)n(c(=O)n2C)[*:1]
CCCCNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 CCCC[*:1] C[C@@H](c1ccccc1)N1C[C@H](CC1=O)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 CCCCNC(=O)[*:1] C[C@@H](c1ccccc1)N1C[C@H](CC1=O)[*:1]
CCCCNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 CCC[*:1] C[C@@H](c1ccccc1)N1C[C@H](CC1=O)C(=O)NC[*:1]
CCCCNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 c1ccc(cc1)[*:1] CCCCNC(=O)[C@H]1CC(=O)N(C1)[C@@H](C)[*:1]
COCCCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 COCC[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)S(N)(=O)=O
COCCCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] COCCCC(=O)N[C@H](C)c1ccc(cc1)[*:1]
COCCCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 COC[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc(cc1)S(N)(=O)=O
COCCCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 COCCC[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)S(N)(=O)=O
C#Cc1cccc(N(C)S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] C#Cc1cccc(c1)N(C)S(=O)(=O)c1cc(F)c(F)c(c1)[*:1]
C#Cc1cccc(N(C)S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 C#Cc1cccc(c1)[*:1] CN(S(=O)(=O)c1cc(F)c(F)c(c1)C(=O)[O-])[*:1]
Cc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)cc1 O=C([O-])[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](Sc2ccccc2[*:1])C1=O
Cc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)cc1 Cc1ccc(cc1)[*:1] O=C([O-])c1ccccc1S[C@H]1CC(=O)N(C1=O)[*:1]
O=C(c1cc(=O)[nH]c2ccccc12)N1CCC([C@@H](O)c2ccccc2)CC1 O[C@@H](c1ccccc1)[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(CC1)[*:1]
O=C(c1cc(=O)[nH]c2ccccc12)N1CCC([C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(CC1)[C@@H](O)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)NCCc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] CC(C)C(=O)Nc1cccc(c1)NC(=O)NCC[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)NCCc2ccc(F)cc2F)c1 CC(C)C(=O)N[*:1] O=C(NCCc1ccc(F)cc1F)Nc1cccc(c1)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)NCCc2ccc(F)cc2F)c1 CC(C)[*:1] O=C(NCCc1ccc(F)cc1F)Nc1cccc(c1)NC(=O)[*:1]
CC(C)n1nnnc1Sc1cc(C(F)(F)F)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CC(C)n1nnnc1Sc1cc(nc(n1)[*:1])C(F)(F)F
CC(C)n1nnnc1Sc1cc(C(F)(F)F)nc(-c2ccccn2)n1 CC(C)[*:1] FC(F)(F)c1cc(nc(n1)-c1ccccn1)Sc1nnnn1[*:1]
CC(C)n1nnnc1Sc1cc(C(F)(F)F)nc(-c2ccccn2)n1 FC(F)(F)[*:1] CC(C)n1nnnc1Sc1cc(nc(n1)-c1ccccn1)[*:1]
CC(C)n1nnnc1Sc1cc(C(F)(F)F)nc(-c2ccccn2)n1 CC(C)n1nnnc1[*:1] FC(F)(F)c1cc(nc(n1)-c1ccccn1)S[*:1]
Cc1c(NC(=O)N[C@H]2C[C@H]2C)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)N[C@H]2C[C@H]2C)c(=O)n(n1C)[*:1]
O=C(Cc1ccc(Cl)cc1)NNC(=O)Nc1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(C[*:1])NNC(=O)Nc1ccc(F)cc1
O=C(Cc1ccc(Cl)cc1)NNC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1ccc(Cl)cc1)NNC(=O)N[*:1]
O=C(/C=C/c1ccc(Cl)c(Cl)c1)NNC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(/C=C/c1ccc(Cl)c(Cl)c1)NNC(=O)[*:1]
C[C@@H](C[C@H](O)c1cccs1)NC(=O)[C@H]1CCO[C@@H]1C C[C@H]1OCC[C@@H]1[*:1] C[C@@H](C[C@H](O)c1cccs1)NC(=O)[*:1]
C[C@@H](C[C@H](O)c1cccs1)NC(=O)[C@H]1CCO[C@@H]1C c1csc(c1)[*:1] C[C@@H](C[C@H](O)[*:1])NC(=O)[C@H]1CCO[C@@H]1C
Cc1c(F)cccc1NC(=O)N(C)Cc1ccccc1F Fc1ccccc1[*:1] Cc1c(F)cccc1NC(=O)N(C)C[*:1]
C[C@H]([NH2+]C1CC1)[C@H](C)Cc1cccc(Cl)c1 C1CC1[*:1] C[C@H]([NH2+][*:1])[C@H](C)Cc1cccc(Cl)c1
COc1ccc(C2=NN(C(=O)CSc3ccc4c(c3)OCCO4)[C@@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C1C[C@H](N(N=1)C(=O)CSc1ccc2OCCOc2c1)[*:1]
COc1ccc(C2=NN(C(=O)CSc3ccc4c(c3)OCCO4)[C@@H](c3ccco3)C2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1ccc2OCCOc2c1)N1N=C(C[C@@H]1c1ccco1)[*:1]
COc1ccc(C2=NN(C(=O)CSc3ccc4c(c3)OCCO4)[C@@H](c3ccco3)C2)cc1 c1cc2OCCOc2cc1[*:1] COc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)CS[*:1]
Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccc(C(C)C)cc1 CC(C)c1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccc(C(C)C)cc1 FC(F)(F)[*:1] Cc1c(nnn1-c1ccc(cc1)C(C)C)C(=O)Nc1cccc(c1)[*:1]
Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1c(nnn1-c1ccc(cc1)[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)CC1(O)CCCC1 OC1(CCCC1)C[*:1] COc1ccc(cc1NC(=O)[*:1])C(=O)N1CCCC1
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)CC1(O)CCCC1 O=C(N1CCCC1)[*:1] COc1ccc(cc1NC(=O)CC1(O)CCCC1)[*:1]
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)CC1(O)CCCC1 OC1(CCCC1)[*:1] COc1ccc(cc1NC(=O)C[*:1])C(=O)N1CCCC1
CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccc(OC)cc4)CC3)c2c1 COc1ccc(cc1)[*:1] CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC3)C[*:1])c2c1
CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccc(OC)cc4)CC3)c2c1 COc1ccc(cc1)C[*:1] CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC3)[*:1])c2c1
CC[NH2+][C@@H](CSC)[C@H]1CCCc2cccnc21 CSC[*:1] CC[NH2+][C@@H]([C@H]1CCCc2cccnc21)[*:1]
Cn1c(=O)c2c(nc(SCC(=O)Nc3ccc(F)cc3)n2C)n(C)c1=O Fc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(SCC(=O)N[*:1])n2C)n(C)c1=O
CC[C@@H](C)NC(=O)CSCc1nc(-c2cccc(C)c2)oc1C Cc1cccc(c1)[*:1] CC[C@@H](C)NC(=O)CSCc1nc(oc1C)[*:1]
CC[C@@H](C)NC(=O)CSCc1nc(-c2cccc(C)c2)oc1C CC[C@@H](C)[*:1] Cc1cccc(c1)-c1nc(CSCC(=O)N[*:1])c(C)o1
CC[C@@H](C)NC(=O)CSCc1nc(-c2cccc(C)c2)oc1C CC[C@@H](C)NC(=O)[*:1] Cc1cccc(c1)-c1nc(CSC[*:1])c(C)o1
O=C(CSCc1nc([O-])c2nnn(Cc3ccc(F)cc3)c2n1)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(CSCc1nc([O-])c2nnn(Cc3ccc(F)cc3)c2n1)N[*:1]
O=C(CSCc1nc([O-])c2nnn(Cc3ccc(F)cc3)c2n1)Nc1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] O=C(CSCc1nc([O-])c2nnn(C[*:1])c2n1)Nc1ccc2OCCOc2c1
O=C(CSCc1nc([O-])c2nnn(Cc3ccc(F)cc3)c2n1)Nc1ccc2c(c1)OCCO2 Fc1ccc(cc1)C[*:1] O=C(CSCc1nc([O-])c2nnn(c2n1)[*:1])Nc1ccc2OCCOc2c1
CC[C@H](C)N1C[C@H](c2ccccc2)[NH2+]C[C@@H]1C(C)(C)C CC(C)(C)[*:1] CC[C@H](C)N1C[C@@H]([NH2+]C[C@H]1[*:1])c1ccccc1
CC[C@H](C)N1C[C@H](c2ccccc2)[NH2+]C[C@@H]1C(C)(C)C c1ccc(cc1)[*:1] CC[C@H](C)N1C[C@H]([NH2+]C[C@@H]1C(C)(C)C)[*:1]
CC[C@H](C)N1C[C@H](c2ccccc2)[NH2+]C[C@@H]1C(C)(C)C CC[C@H](C)[*:1] CC(C)(C)[C@H]1C[NH2+][C@H](CN1[*:1])c1ccccc1
CNC(=O)[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 CNC(=O)[*:1] O=C(CSCc1ccc(Cl)cc1)N[C@@H](c1ccccc1)[*:1]
CNC(=O)[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@@H](NC(=O)CSCc1ccc(Cl)cc1)[*:1]
CNC(=O)[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)C[*:1] CNC(=O)[C@@H](NC(=O)CS[*:1])c1ccccc1
CNC(=O)[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] CNC(=O)[C@@H](NC(=O)CSC[*:1])c1ccccc1
C[C@@H]1SCCC[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C CC(C)(C)[*:1] C[C@@H]1SCCC[C@H]1[NH2+][C@@H](c1ccc(F)cc1)[*:1]
Fc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(F)c1 c1ccc([nH+]c1)[*:1] Fc1ccc(C[NH2+]C2CCN(CC2)[*:1])c(F)c1
C[C@@H](CC(=O)Nc1ccc(C(N)=O)nc1)c1ccc(F)cc1F NC(=O)[*:1] C[C@@H](CC(=O)Nc1ccc(nc1)[*:1])c1ccc(F)cc1F
Cn1ncnc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O Cn1ncnc1[*:1] O=C(N[C@@H]1CCN(C1=O)c1ccc(Cl)c(F)c1)N[*:1]
Cn1ncnc1NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O Fc1cc(ccc1Cl)[*:1] Cn1ncnc1NC(=O)N[C@@H]1CCN(C1=O)[*:1]
COC(=O)c1c(NS(=O)(=O)CCC(=O)[O-])sc2c1CCC2 COC(=O)[*:1] O=C([O-])CCS(=O)(=O)Nc1sc2CCCc2c1[*:1]
COC(=O)c1c(NS(=O)(=O)CCC(=O)[O-])sc2c1CCC2 O=C([O-])[*:1] COC(=O)c1c(NS(=O)(=O)CC[*:1])sc2CCCc21
COC(=O)c1c(NS(=O)(=O)CCC(=O)[O-])sc2c1CCC2 O=C([O-])CC[*:1] COC(=O)c1c(NS(=O)(=O)[*:1])sc2CCCc21
COC(=O)c1c(NS(=O)(=O)CCC(=O)[O-])sc2c1CCC2 O=C([O-])C[*:1] COC(=O)c1c(NS(=O)(=O)C[*:1])sc2CCCc21
O=C(N[C@@H](c1ccccc1)c1ccccn1)[C@H]1COc2ccc(F)cc2C1 c1ccc(nc1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])[C@H]1COc2ccc(F)cc2C1
O=C(N[C@@H](c1ccccc1)c1ccccn1)[C@H]1COc2ccc(F)cc2C1 c1ccc(cc1)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])[C@H]1COc2ccc(F)cc2C1
CCC[C@H](C)[C@@H](O)Cc1nccs1 CCC[*:1] C[C@H]([C@@H](O)Cc1nccs1)[*:1]
Cc1ccc(CC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)o1 CS(=O)(=O)[*:1] Cc1ccc(CC(=O)Nc2ccc(C)c(c2)[*:1])o1
Cc1ccc(CC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)o1 Cc1ccc(C[*:1])o1 Cc1ccc(cc1S(C)(=O)=O)NC(=O)[*:1]
Cc1ccc(CC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)o1 Cc1ccc(o1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)C[*:1]
COc1cccc(OC)c1C(=O)OCc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] COc1cccc(OC)c1C(=O)OCc1csc(n1)[*:1]
Cc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1Cl C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1Cl)N(CC(=O)N[*:1])S(C)(=O)=O
Cc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1Cl C1CO[C@@H](C1)[*:1] Cc1ccc(cc1Cl)N(CC(=O)NC[*:1])S(C)(=O)=O
CCNC(=O)c1cccc(CNC(=O)N[C@@H](C)C(C)(C)c2ccccc2)c1 CCNC(=O)[*:1] C[C@H](NC(=O)NCc1cccc(c1)[*:1])C(C)(C)c1ccccc1
CCNC(=O)c1cccc(CNC(=O)N[C@@H](C)C(C)(C)c2ccccc2)c1 c1ccc(cc1)[*:1] CCNC(=O)c1cccc(c1)CNC(=O)N[C@@H](C)C(C)(C)[*:1]
CCNC(=O)c1cccc(CNC(=O)N[C@@H](C)C(C)(C)c2ccccc2)c1 CC(C)(c1ccccc1)[*:1] CCNC(=O)c1cccc(c1)CNC(=O)N[C@@H](C)[*:1]
C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)N3CCc4ccccc43)ccc2N1C(=O)C1CC1 C1CC1[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)[*:1])S(=O)(=O)NCCC(=O)N1CCc2ccccc21
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)Nc3c(F)cccc3F)CC2)C1 Fc1cccc(F)c1[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CCN(CC1)CC(=O)N[*:1]
CC(C)[C@H](C)SCC(=O)NC1(C#N)CCCCCC1 CC(C)[*:1] C[C@H](SCC(=O)NC1(C#N)CCCCCC1)[*:1]
CC(C)[C@H](C)SCC(=O)NC1(C#N)CCCCCC1 CC(C)[C@H](C)[*:1] N#CC1(CCCCCC1)NC(=O)CS[*:1]
Nc1ccc2c(NCc3ccc(-n4cncn4)cc3)nc[nH+]c2n1 c1ncn(n1)[*:1] Nc1ccc2c(nc[nH+]c2n1)NCc1ccc(cc1)[*:1]
O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 C1CC(C1)[*:1] O=C(Cc1cccs1)N1CC[C@@H](C1)c1nc2CN(CCc2c(=O)[nH]1)C(=O)[*:1]
O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 c1csc(c1)[*:1] O=C(C[*:1])N1CC[C@@H](C1)c1nc2CN(CCc2c(=O)[nH]1)C(=O)C1CCC1
O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 c1csc(c1)C[*:1] O=C(C1CCC1)N1CCc2c(C1)nc([nH]c2=O)[C@H]1CCN(C1)C(=O)[*:1]
COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)C1=NN(C(C)=O)[C@@H](O1)c1ccc(cc1)[*:1]
COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1OC O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1OC)C1=NN(C(C)=O)[C@H](O1)[*:1]
C=CCNc1ccc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] C=CCNc1ccc(c(N)n1)[*:1]
C=CCNc1ccc([N+](=O)[O-])c(N)n1 C=CCN[*:1] Nc1nc(ccc1[N+](=O)[O-])[*:1]
C=CCNc1ccc([N+](=O)[O-])c(N)n1 C=CC[*:1] Nc1nc(ccc1[N+](=O)[O-])N[*:1]
CCC[C@H]1NC(=O)[C@H](CC)N(c2cc(C)cc(F)c2)C1=O CCC[*:1] CC[C@H]1C(=O)N[C@@H](C(=O)N1c1cc(C)cc(F)c1)[*:1]
O=C(OC1CCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl C1CCC(CC1)[*:1] O=C(O[*:1])c1cc(ccc1Cl)S(=O)(=O)N1CCCC1
O=C(OC1CCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl O=S(=O)(N1CCCC1)[*:1] O=C(OC1CCCCC1)c1cc(ccc1Cl)[*:1]
Cc1n[nH]c2ncc(C(=O)NCCC[NH+](C)Cc3ccccc3)cc12 c1ccc(cc1)[*:1] Cc1n[nH]c2ncc(cc12)C(=O)NCCC[NH+](C)C[*:1]
Cc1n[nH]c2ncc(C(=O)NCCC[NH+](C)Cc3ccccc3)cc12 c1ccc(cc1)C[*:1] Cc1n[nH]c2ncc(cc12)C(=O)NCCC[NH+](C)[*:1]
Cc1ccc(OC2CCN(S(=O)(=O)CCC3CC3)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(CCC1CC1)N1CCC(CC1)O[*:1]
Cc1ccc(OC2CCN(S(=O)(=O)CCC3CC3)CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)OC1CCN(CC1)S(=O)(=O)CC[*:1]
Cc1ccc(OC2CCN(S(=O)(=O)CCC3CC3)CC2)cc1 C1CC1CC[*:1] Cc1ccc(cc1)OC1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(OC2CCN(S(=O)(=O)CCC3CC3)CC2)cc1 C1CC1C[*:1] Cc1ccc(cc1)OC1CCN(CC1)S(=O)(=O)C[*:1]
O=C1CCCCN1C1CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 O=C1CCCCN1[*:1] FC(F)(F)c1ccc(Cl)c(c1)C[NH+]1CCC(CC1)[*:1]
O=C1CCCCN1C1CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 FC(F)(F)[*:1] O=C1CCCCN1C1CC[NH+](CC1)Cc1cc(ccc1Cl)[*:1]
COc1cn(CC(=O)N2CCc3ccccc32)c(CSc2nnnn2C)cc1=O Cn1nnnc1[*:1] COc1cn(CC(=O)N2CCc3ccccc32)c(cc1=O)CS[*:1]
COc1cn(CC(=O)N2CCc3ccccc32)c(CSc2nnnn2C)cc1=O Cn1nnnc1SC[*:1] COc1cn(CC(=O)N2CCc3ccccc32)c(cc1=O)[*:1]
COc1cn(CC(=O)N2CCc3ccccc32)c(CSc2nnnn2C)cc1=O Cn1nnnc1S[*:1] COc1cn(CC(=O)N2CCc3ccccc32)c(cc1=O)C[*:1]
COc1ccc(/C=C/C(=O)N2CCC(n3c(=O)oc4c(C)cc(C)cc43)CC2)c(Cl)c1OC COc1ccc(c(Cl)c1OC)[*:1] Cc1cc(C)c2oc(=O)n(c2c1)C1CCN(CC1)C(=O)C=C[*:1]
COCC(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 COCC(=O)N[*:1] O[C@@H]1CCCC[C@@H]1Oc1ccc(cc1)[*:1]
COCC(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 COC[*:1] O=C(Nc1ccc(cc1)O[C@H]1CCCC[C@H]1O)[*:1]
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCc2c(Br)cccc21)c1ccccc1 CC(C)(C)OC(=O)N[*:1] O=C(N[C@@H]1CCc2c(Br)cccc21)[C@H](c1ccccc1)[*:1]
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCc2c(Br)cccc21)c1ccccc1 CC(C)(C)[*:1] O=C(N[C@H](C(=O)N[C@@H]1CCc2c(Br)cccc21)c1ccccc1)O[*:1]
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCc2c(Br)cccc21)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCc2c(Br)cccc21)[*:1]
Cc1ccc(NC(=O)N2CCO[C@H](C)C2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CCO[C@H](C)C1
Cc1cccn2cc(C[NH2+][C@H](C)CC(=O)N(C)C)nc12 CN(C)C(=O)C[*:1] Cc1cccn2cc(C[NH2+][C@H](C)[*:1])nc12
Cc1cccn2cc(C[NH2+][C@H](C)CC(=O)N(C)C)nc12 CN(C)C(=O)[*:1] Cc1cccn2cc(C[NH2+][C@H](C)C[*:1])nc12
CCc1ccc(NC(=O)[C@H](CC)n2c3ccccc3c3nc(=O)cc(C)n32)cc1 CCc1ccc(cc1)[*:1] CC[C@@H](C(=O)N[*:1])n1c2ccccc2c2nc(=O)cc(C)n21
CCc1ncc(C[NH2+]C[C@@H]2CCO[C@H]2C(C)(C)C)s1 CC(C)(C)[*:1] CCc1ncc(C[NH2+]C[C@@H]2CCO[C@@H]2[*:1])s1
O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 Fc1ccccc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1)[*:1]
O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] O=C(c1ccccc1F)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)C2)nc1 O=C(N[*:1])c1ccc(Cl)cc1 Cc1ccc(nc1)NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](CC(C)C)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)C2)nc1 Cc1ccc(nc1)[*:1] CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)C2)nc1 CC(C)C[*:1] Cc1ccc(nc1)NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)C2)nc1 CC(C)[*:1] Cc1ccc(nc1)NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](C[*:1])NC(=O)c1ccc(Cl)cc1
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)C2)nc1 Clc1ccc(cc1)[*:1] Cc1ccc(nc1)NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](CC(C)C)NC(=O)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3)C2)nc1 Cc1ccc(nc1)NC(=O)[*:1] CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc2c(c1C)NC(=O)C[C@H]2c1ccccc1OC(C)C CC(C)[*:1] Cc1ccc2c(NC(=O)C[C@H]2c2ccccc2O[*:1])c1C
Cc1ccc2c(c1C)NC(=O)C[C@H]2c1ccccc1OC(C)C CC(C)O[*:1] Cc1ccc2c(NC(=O)C[C@H]2c2ccccc2[*:1])c1C
C[S@@](=O)c1ccc(NC(=O)N[C@H]2CCc3ccccc32)cc1F C[S@@](=O)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])N[C@H]1CCc2ccccc21
O=C(O[C@@H](CN1CCN(C(=O)c2cccc(F)c2F)CC1)c1ccccc1)c1cccc(F)c1F c1ccc(cc1)[*:1] O=C(O[C@@H](CN1CCN(CC1)C(=O)c1cccc(F)c1F)[*:1])c1cccc(F)c1F
O=C(O[C@@H](CN1CCN(C(=O)c2cccc(F)c2F)CC1)c1ccccc1)c1cccc(F)c1F O=C(O[*:1])c1cccc(F)c1F O=C(c1cccc(F)c1F)N1CCN(CC1)C[C@@H](c1ccccc1)[*:1]
O=C(O[C@@H](CN1CCN(C(=O)c2cccc(F)c2F)CC1)c1ccccc1)c1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(O[C@@H](CN1CCN(CC1)C(=O)[*:1])c1ccccc1)c1cccc(F)c1F
O=C(O[C@@H](CN1CCN(C(=O)c2cccc(F)c2F)CC1)c1ccccc1)c1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(c1cccc(F)c1F)N1CCN(CC1)C[C@H](OC(=O)[*:1])c1ccccc1
CNC(=O)c1cccc(C(=O)N2C[C@@H](C)Oc3ccc(C)cc32)c1 CNC(=O)[*:1] Cc1ccc2O[C@H](C)CN(C(=O)c3cccc(c3)[*:1])c2c1
O=C(NCc1ccc(F)c(Cl)c1)C1CCN(c2ncnc3c2oc2ccccc23)CC1 Fc1ccc(cc1Cl)C[*:1] O=C(N[*:1])C1CCN(CC1)c1ncnc2c1oc1ccccc12
O=C(NCc1ccc(F)c(Cl)c1)C1CCN(c2ncnc3c2oc2ccccc23)CC1 Fc1ccc(cc1Cl)[*:1] O=C(NC[*:1])C1CCN(CC1)c1ncnc2c1oc1ccccc12
C[C@H]1SCCC[C@H]1Nc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H]1SCCC[C@H]1Nc1cccc(c1)[*:1]
CC[C@H](C)C[C@@H](CC)N1CCO[C@H](CC(=O)[O-])C1 CC[C@H](C)[*:1] CC[C@H](C[*:1])N1CCO[C@H](CC(=O)[O-])C1
CC[C@H](C)C[C@@H](CC)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])C[*:1] CC[C@H](C)C[C@@H](CC)N1CCO[C@H](C1)[*:1]
CC[C@H](C)C[C@@H](CC)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])[*:1] CC[C@H](C)C[C@@H](CC)N1CCO[C@@H](C1)C[*:1]
CC[C@H](C)C[C@@H](CC)N1CCO[C@H](CC(=O)[O-])C1 CC[C@H](C)C[*:1] CC[C@@H](N1CCO[C@H](CC(=O)[O-])C1)[*:1]
O=C([O-])[C@@H](Cc1ccccc1F)C1CCOCC1 O=C([O-])[*:1] Fc1ccccc1C[C@@H](C1CCOCC1)[*:1]
O=C([O-])[C@@H](Cc1ccccc1F)C1CCOCC1 C1CC(CCO1)[*:1] O=C([O-])[C@@H](Cc1ccccc1F)[*:1]
COc1ccc(C2=CC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3N2)cc1 COc1ccc(cc1Cl)[*:1] COc1ccc(cc1)C1=CC(=O)N(CC(=O)N[*:1])c2ccccc2N1
COc1ccc(C2=CC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3N2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)CN1C(=O)C=C(Nc2ccccc21)[*:1]
CN(Cc1ccccn1)C(=O)Nc1ccccc1SC(F)F c1ccc(nc1)[*:1] CN(C[*:1])C(=O)Nc1ccccc1SC(F)F
CN(Cc1ccccn1)C(=O)Nc1ccccc1SC(F)F FC(F)[*:1] CN(Cc1ccccn1)C(=O)Nc1ccccc1S[*:1]
CN(Cc1ccccn1)C(=O)Nc1ccccc1SC(F)F c1ccc(C[*:1])nc1 CN(C(=O)Nc1ccccc1SC(F)F)[*:1]
CN(Cc1ccccn1)C(=O)Nc1ccccc1SC(F)F FC(F)S[*:1] CN(Cc1ccccn1)C(=O)Nc1ccccc1[*:1]
OCc1ccc(C[NH2+]C2CC2)cc1 C1CC1[*:1] OCc1ccc(cc1)C[NH2+][*:1]
CCOC(=O)c1cc2c(c(C#N)c1N)CCCCCC2 CCOC(=O)[*:1] N#Cc1c(N)c(cc2CCCCCCc21)[*:1]
C[C@H]1CC[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H]1CC[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)c(c1)[*:1]
Clc1ccc2c(N3CC[NH+](Cc4csc5ccccc45)CC3)ncnc2c1 c1ccc2c(csc2c1)[*:1] Clc1ccc2c(ncnc2c1)N1CC[NH+](CC1)C[*:1]
O=C([O-])c1ccc(O[C@@H]2CCCCNC2=O)cn1 O=C([O-])[*:1] O=C1NCCCC[C@H]1Oc1ccc(nc1)[*:1]
O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[C@H]1C[C@@H]1[*:1]
CCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1 Brc1cccc(c1)[*:1] CCN(CC(=O)N[*:1])S(=O)(=O)c1ccc(F)cc1
CCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)[*:1]
CC(C)CC[C@@H](C)NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)N1CCC[C@@H](C1)c1nc2ccccc2o1
CC(C)CC[C@@H](C)NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 CC(C)CC[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)c1nc2ccccc2o1)[*:1]
CC(C)CC[C@@H](C)NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 CC(C)CC[C@@H](C)[*:1] O=C(N[*:1])N1CCC[C@@H](C1)c1nc2ccccc2o1
CC(C)CC[C@@H](C)NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)N1CCC[C@@H](C1)c1nc2ccccc2o1
CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)[*:1]
CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccc(Cl)c1Cl C1CN(CCO1)[*:1] CN(Cc1ccccc1[*:1])C(=O)c1cccc(Cl)c1Cl
COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 COC(=O)[*:1] Clc1cccc(c1)[C@@H]1C[NH2+]C[C@H]1[*:1]
COc1ccccc1N1CC[C@@H](NC(=O)c2ccnc(OC3CCC3)c2)C1 C1CC(C1)O[*:1] COc1ccccc1N1CC[C@H](C1)NC(=O)c1ccnc(c1)[*:1]
COc1ccccc1N1CC[C@@H](NC(=O)c2ccnc(OC3CCC3)c2)C1 C1CC(C1)[*:1] COc1ccccc1N1CC[C@H](C1)NC(=O)c1ccnc(c1)O[*:1]
COc1ccccc1N1CC[C@@H](NC(=O)c2ccnc(OC3CCC3)c2)C1 COc1ccccc1[*:1] O=C(N[C@@H]1CCN(C1)[*:1])c1ccnc(c1)OC1CCC1
COCc1cc([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)ccc1OC COC[*:1] COc1ccc(cc1[*:1])[C@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C21
NC(=O)c1ccc(N)c(Br)c1 NC(=O)[*:1] Nc1ccc(cc1Br)[*:1]
Cc1ccc(N2CCOC2=O)cc1NC(=O)CCC(C)C CC(C)C[*:1] Cc1ccc(cc1NC(=O)C[*:1])N1CCOC1=O
Cc1ccc(N2CCOC2=O)cc1NC(=O)CCC(C)C O=C1OCCN1[*:1] Cc1ccc(cc1NC(=O)CCC(C)C)[*:1]
Cc1ccc(N2CCOC2=O)cc1NC(=O)CCC(C)C CC(C)CC[*:1] Cc1ccc(cc1NC(=O)[*:1])N1CCOC1=O
Cc1ccc(N2CCOC2=O)cc1NC(=O)CCC(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)CC[*:1])N1CCOC1=O
COc1ccc(C(=O)N(C[C@@H](O)c2ccccc2)CC(C)(C)C)c(F)c1 O[C@@H](c1ccccc1)[*:1] COc1ccc(C(=O)N(CC(C)(C)C)C[*:1])c(F)c1
COc1ccc(C(=O)N(C[C@@H](O)c2ccccc2)CC(C)(C)C)c(F)c1 CC(C)(C)[*:1] COc1ccc(C(=O)N(C[C@@H](O)c2ccccc2)C[*:1])c(F)c1
COc1ccc(C(=O)N(C[C@@H](O)c2ccccc2)CC(C)(C)C)c(F)c1 CC(C)(C)C[*:1] COc1ccc(C(=O)N(C[C@@H](O)c2ccccc2)[*:1])c(F)c1
COc1ccc(C(=O)N(C[C@@H](O)c2ccccc2)CC(C)(C)C)c(F)c1 c1ccc(cc1)[*:1] COc1ccc(C(=O)N(C[C@@H](O)[*:1])CC(C)(C)C)c(F)c1
Cc1cccc(C(=O)NCc2ccnc(-n3cccn3)c2)c1 Cc1cccc(c1)[*:1] O=C(NCc1ccnc(c1)-n1cccn1)[*:1]
Cc1cccc(C(=O)NCc2ccnc(-n3cccn3)c2)c1 c1cnn(c1)[*:1] Cc1cccc(c1)C(=O)NCc1ccnc(c1)[*:1]
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1)[*:1]
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)[NH+](C)C)cc1 Clc1ccc(cn1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)C(=O)N[*:1])[NH+](C)C
COCCN(CCC(N)=[NH2+])C(=O)NC1CCCC1 NC(=[NH2+])CC[*:1] COCCN(C(=O)NC1CCCC1)[*:1]
COCCN(CCC(N)=[NH2+])C(=O)NC1CCCC1 COC[*:1] NC(=[NH2+])CCN(C[*:1])C(=O)NC1CCCC1
COCCN(CCC(N)=[NH2+])C(=O)NC1CCCC1 C1CCC(C1)[*:1] COCCN(CCC(N)=[NH2+])C(=O)N[*:1]
COCCN(CCC(N)=[NH2+])C(=O)NC1CCCC1 NC(=[NH2+])[*:1] COCCN(CC[*:1])C(=O)NC1CCCC1
COCCN(CCC(N)=[NH2+])C(=O)NC1CCCC1 COCC[*:1] NC(=[NH2+])CCN(C(=O)NC1CCCC1)[*:1]
CN(C)c1cccc(C(=O)N2CCC[C@H]2c2nc(C3CC3)no2)c1 C1CC1c1noc(n1)[*:1] CN(C)c1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
CN(C)c1cccc(C(=O)N2CCC[C@H]2c2nc(C3CC3)no2)c1 CN(C)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H]1c1nc(no1)C1CC1
CN(C)c1cccc(C(=O)N2CCC[C@H]2c2nc(C3CC3)no2)c1 C1CC1[*:1] CN(C)c1cccc(c1)C(=O)N1CCC[C@H]1c1nc(no1)[*:1]
COCCn1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2C)n1 COC[*:1] Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccn(C[*:1])n1
COCCn1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2C)n1 Cc1ccccc1[*:1] COCCn1ccc(n1)NC(=O)C(=O)N[C@@H](C)[*:1]
COCCn1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2C)n1 COCC[*:1] Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccn(n1)[*:1]
COC(=O)c1cc(Br)c(=O)n(Cc2cccnc2)c1 c1cncc(c1)[*:1] COC(=O)c1cc(Br)c(=O)n(c1)C[*:1]
COC(=O)c1cc(Br)c(=O)n(Cc2cccnc2)c1 COC(=O)[*:1] O=c1c(Br)cc(cn1Cc1cccnc1)[*:1]
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 C1CCC(C1)O[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 C1CCC(C1)[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(O[*:1])c(Cl)c1
O=C(NCCc1ccncc1)c1cc(-c2ccccc2)[nH]n1 c1cc(ccn1)[*:1] O=C(NCC[*:1])c1cc([nH]n1)-c1ccccc1
O=C(NCCc1ccncc1)c1cc(-c2ccccc2)[nH]n1 c1cc(ccn1)C[*:1] O=C(NC[*:1])c1cc([nH]n1)-c1ccccc1
O=C(NCCc1ccncc1)c1cc(-c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] O=C(NCCc1ccncc1)c1cc([nH]n1)[*:1]
NC(=O)c1cnc(N)c(Br)c1 NC(=O)[*:1] Nc1ncc(cc1Br)[*:1]
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O O=C(c1cc2ccccc2o1)[*:1] COc1cc(ccc1O)[C@H]1C(=C(O)C(=O)N1c1nnc(C)s1)[*:1]
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O Cc1nnc(s1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1[*:1]
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O COc1cc(ccc1O)[*:1] Cc1nnc(s1)N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1[*:1]
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O c1ccc2oc(cc2c1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)[*:1])=C(O)C(=O)N1c1nnc(C)s1
CCOC(=O)c1c(NC(=O)c2ncccc2C(=O)[O-])sc2c1CC[C@H](C)C2 CCOC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1ncccc1C(=O)[O-])c2[*:1]
CCOC(=O)c1c(NC(=O)c2ncccc2C(=O)[O-])sc2c1CC[C@H](C)C2 O=C([O-])[*:1] CCOC(=O)c1c(NC(=O)c2ncccc2[*:1])sc2C[C@@H](C)CCc21
CCOC(=O)c1c(NC(=O)c2ncccc2C(=O)[O-])sc2c1CC[C@H](C)C2 O=C([O-])c1cccnc1[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2C[C@@H](C)CCc21
O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(Br)s1 C1CC1[*:1] O=C(Nc1cccc(c1)-c1nnnn1[*:1])c1ccc(Br)s1
O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(Nc1cccc(c1)-c1nnnn1C1CC1)[*:1]
CCOC(=O)c1ccc(CNC(=O)c2ccc(C#N)cn2)o1 CCOC(=O)[*:1] N#Cc1ccc(nc1)C(=O)NCc1ccc(o1)[*:1]
Cc1c(Cl)cccc1NC(=O)N1C[C@@H]2CCCN2c2ccccc21 Cc1c(Cl)cccc1[*:1] O=C(N[*:1])N1C[C@@H]2CCCN2c2ccccc21
CC1=C([C@H](C)N(C)C(=O)c2cn(Cc3ccccc3F)nn2)[C@@H](C)N=N1 Fc1ccccc1C[*:1] CC1N=N[C@H](C)C=1[C@H](C)N(C)C(=O)c1cn(nn1)[*:1]
CC1=C([C@H](C)N(C)C(=O)c2cn(Cc3ccccc3F)nn2)[C@@H](C)N=N1 Fc1ccccc1[*:1] CC1N=N[C@H](C)C=1[C@H](C)N(C)C(=O)c1cn(C[*:1])nn1
Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)COC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H](C[C@H]3[*:1])[C@H]2C1=O
Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)no1 Cc1cc(no1)NC(=O)[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C[C@@H](C[C@@H]3c3ccccc3)[C@H]2C1=O)OC[*:1]
Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)no1 Cc1cc(no1)NC(=O)C[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C[C@@H](C[C@@H]3c3ccccc3)[C@H]2C1=O)O[*:1]
Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)no1 Cc1cc(no1)[*:1] O=C(COC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H](C[C@@H]3c3ccccc3)[C@H]2C1=O)N[*:1]
CCCc1nc(N2CCC([NH+]3CCCCC3)CC2)c2cnn(C)c2n1 CCC[*:1] Cn1ncc2c(nc(nc21)[*:1])N1CCC(CC1)[NH+]1CCCCC1
CCN(Cc1ccccn1)C(=O)Nc1ccc(C)cc1OCC(F)(F)F c1ccc(C[*:1])nc1 CCN(C(=O)Nc1ccc(C)cc1OCC(F)(F)F)[*:1]
CCN(Cc1ccccn1)C(=O)Nc1ccc(C)cc1OCC(F)(F)F c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)Nc1ccc(C)cc1OCC(F)(F)F
CCN(Cc1ccccn1)C(=O)Nc1ccc(C)cc1OCC(F)(F)F FC(F)(F)CO[*:1] CCN(Cc1ccccn1)C(=O)Nc1ccc(C)cc1[*:1]
CCN(Cc1ccccn1)C(=O)Nc1ccc(C)cc1OCC(F)(F)F FC(F)(F)[*:1] CCN(Cc1ccccn1)C(=O)Nc1ccc(C)cc1OC[*:1]
CCN(Cc1ccccn1)C(=O)Nc1ccc(C)cc1OCC(F)(F)F FC(F)(F)C[*:1] CCN(Cc1ccccn1)C(=O)Nc1ccc(C)cc1O[*:1]
Cc1ccccc1NCC(=O)N/N=C/c1ccccn1 c1ccc(nc1)[*:1] Cc1ccccc1NCC(=O)NN=C[*:1]
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)NN=C[*:1]
COc1ccccc1[C@H](O)CO OC[C@@H](O)[*:1] COc1ccccc1[*:1]
COCC[C@@H](C)[NH2+][C@@H](C)[C@H](O)c1ccc(F)c(F)c1 COCC[C@@H](C)[*:1] C[C@H]([NH2+][*:1])[C@H](O)c1ccc(F)c(F)c1
COCC[C@@H](C)[NH2+][C@@H](C)[C@H](O)c1ccc(F)c(F)c1 COC[*:1] C[C@H]([NH2+][C@H](C)C[*:1])[C@H](O)c1ccc(F)c(F)c1
COCC[C@@H](C)[NH2+][C@@H](C)[C@H](O)c1ccc(F)c(F)c1 COCC[*:1] C[C@H]([NH2+][C@H](C)[*:1])[C@H](O)c1ccc(F)c(F)c1
Cc1ccc2[nH]/c(=N\C(=O)[C@H]3C(=O)N(Cc4ccco4)[C@@H]4CCCCC4=C3O)sc2c1 c1coc(c1)C[*:1] Cc1ccc2[nH]/c(=N\C(=O)[C@H]3C(=O)N([C@@H]4CCCCC4=C3O)[*:1])sc2c1
Cc1ccc2[nH]/c(=N\C(=O)[C@H]3C(=O)N(Cc4ccco4)[C@@H]4CCCCC4=C3O)sc2c1 c1coc(c1)[*:1] Cc1ccc2[nH]/c(=N\C(=O)[C@H]3C(=O)N(C[*:1])[C@@H]4CCCCC4=C3O)sc2c1
Cn1cc(C[NH+](C)CCC2CC2)c(-c2cccnc2)n1 C1CC1[*:1] Cn1cc(C[NH+](C)CC[*:1])c(n1)-c1cccnc1
Cn1cc(C[NH+](C)CCC2CC2)c(-c2cccnc2)n1 C1CC1C[*:1] Cn1cc(C[NH+](C)C[*:1])c(n1)-c1cccnc1
Cn1cc(C[NH+](C)CCC2CC2)c(-c2cccnc2)n1 C1CC1CC[*:1] Cn1cc(C[NH+](C)[*:1])c(n1)-c1cccnc1
Cn1cc(C[NH+](C)CCC2CC2)c(-c2cccnc2)n1 c1cncc(c1)[*:1] Cn1cc(C[NH+](C)CCC2CC2)c(n1)[*:1]
Cc1cc2c(N3CCCN(CC(F)(F)F)CC3)ncnc2s1 FC(F)(F)C[*:1] Cc1cc2c(ncnc2s1)N1CCCN(CC1)[*:1]
Cc1cc2c(N3CCCN(CC(F)(F)F)CC3)ncnc2s1 FC(F)(F)[*:1] Cc1cc2c(ncnc2s1)N1CCCN(CC1)C[*:1]
Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCCCC2)cc1 Cc1ccc(cc1)[*:1] Cn1cccc1[C@H](CNC(=O)C(=O)NC[*:1])[NH+]1CCCCCC1
Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCCCC2)cc1 Cn1cccc1[*:1] Cc1ccc(cc1)CNC(=O)C(=O)NC[C@@H]([NH+]1CCCCCC1)[*:1]
Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCCCC2)cc1 Cc1ccc(cc1)C[*:1] Cn1cccc1[C@H](CNC(=O)C(=O)N[*:1])[NH+]1CCCCCC1
Cc1nc(OC(C)C)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 Clc1ccc(cc1)[*:1] Cc1nc(cc(n1)N1CCN(CC1)S(=O)(=O)[*:1])OC(C)C
Cc1nc(OC(C)C)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 CC(C)O[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
Cc1nc(OC(C)C)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 CC(C)[*:1] Cc1nc(cc(n1)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)O[*:1]
Cc1noc(-c2ccc(C(=O)NCCCCN3CCOCC3)cc2)n1 C1CN(CCO1)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NCCCC[*:1]
Cc1noc(-c2ccc(C(=O)NCCCCN3CCOCC3)cc2)n1 Cc1noc(n1)[*:1] O=C(NCCCCN1CCOCC1)c1ccc(cc1)[*:1]
Cc1noc(-c2ccc(C(=O)NCCCCN3CCOCC3)cc2)n1 C1CN(CCO1)C[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NCCC[*:1]
Cc1noc(-c2ccc(C(=O)NCCCCN3CCOCC3)cc2)n1 C1CN(CCO1)CC[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NCC[*:1]
CSCC(=O)NNC(=O)NCCn1cccc1 c1ccn(c1)[*:1] CSCC(=O)NNC(=O)NCC[*:1]
CSCC(=O)NNC(=O)NCCn1cccc1 CSC[*:1] O=C(NCCn1cccc1)NNC(=O)[*:1]
CCCc1cc(=O)[nH]c2cc(NC(=O)CNC(=O)c3ccccc3)ccc12 CCC[*:1] O=C(CNC(=O)c1ccccc1)Nc1ccc2c(cc(=O)[nH]c2c1)[*:1]
CCCc1cc(=O)[nH]c2cc(NC(=O)CNC(=O)c3ccccc3)ccc12 O=C(N[*:1])c1ccccc1 CCCc1cc(=O)[nH]c2cc(ccc12)NC(=O)C[*:1]
CCCc1cc(=O)[nH]c2cc(NC(=O)CNC(=O)c3ccccc3)ccc12 c1ccc(cc1)[*:1] CCCc1cc(=O)[nH]c2cc(ccc12)NC(=O)CNC(=O)[*:1]
O=C(c1nnn[n-]1)N(Cc1cccs1)Cc1cccs1 c1csc(c1)C[*:1] O=C(c1nnn[n-]1)N(Cc1cccs1)[*:1]
O=C(c1nnn[n-]1)N(Cc1cccs1)Cc1cccs1 c1csc(c1)[*:1] O=C(c1nnn[n-]1)N(Cc1cccs1)C[*:1]
CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 CCC[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1)[*:1]
CN(C)C(=O)CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1 CN(C)C(=O)[*:1] O=C(NC[*:1])c1ccccc1Nc1ccc(cc1)OC(F)F
CN(C)C(=O)CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] CN(C)C(=O)CNC(=O)c1ccccc1Nc1ccc(cc1)[*:1]
CN(C)C(=O)CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1 FC(F)[*:1] CN(C)C(=O)CNC(=O)c1ccccc1Nc1ccc(cc1)O[*:1]
CN(C)C(=O)CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1 CN(C)C(=O)C[*:1] O=C(N[*:1])c1ccccc1Nc1ccc(cc1)OC(F)F
C=CCn1c(=O)c2c(nc3n(CCN4CCOCC4)c(C)c(C)n23)n(C)c1=O C=CC[*:1] Cc1c(C)n2c3c(=O)n(c(=O)n(C)c3nc2n1CCN1CCOCC1)[*:1]
C=CCn1c(=O)c2c(nc3n(CCN4CCOCC4)c(C)c(C)n23)n(C)c1=O C1CN(CCO1)CC[*:1] C=CCn1c(=O)c2c(nc3n(c(C)c(C)n23)[*:1])n(C)c1=O
C=CCn1c(=O)c2c(nc3n(CCN4CCOCC4)c(C)c(C)n23)n(C)c1=O C1CN(CCO1)C[*:1] C=CCn1c(=O)c2c(nc3n(C[*:1])c(C)c(C)n23)n(C)c1=O
C=CCn1c(=O)c2c(nc3n(CCN4CCOCC4)c(C)c(C)n23)n(C)c1=O C1CN(CCO1)[*:1] C=CCn1c(=O)c2c(nc3n(CC[*:1])c(C)c(C)n23)n(C)c1=O
N#Cc1cc(NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)ccc1F c1ccc(cc1)[*:1] N#Cc1cc(ccc1F)NC(=O)N[C@H]1CC(=O)N(C1)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1ccccc1 c1ccc(cc1)O[*:1] COc1ccc(cc1C(=O)NC[C@H](C)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1C(=O)NC[C@H](C)O[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)Oc1ccccc1 O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)NC[C@H](C)Oc1ccccc1)[*:1]
Cn1cc([C@H](O)CNC(=O)Nc2nnc(-c3ccccc3)s2)cn1 Cn1cc(cn1)[*:1] O=C(NC[C@@H](O)[*:1])Nc1nnc(s1)-c1ccccc1
Cn1cc([C@H](O)CNC(=O)Nc2nnc(-c3ccccc3)s2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)[C@H](O)CNC(=O)Nc1nnc(s1)[*:1]
COc1cccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[C@H](C)[*:1]
COc1cccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 C[C@H](c1ccccc1)[*:1] COc1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1cccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 COc1cccc(c1)[*:1] C[C@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cn1cc(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)c2ccccc21 O=[N+]([O-])[*:1] Cn1cc(CC(=O)Nc2cc(ccc2F)[*:1])c2ccccc21
CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)CSc1nc2c(sc(=S)n2[*:1])c(=O)n1-c1ccccc1
CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1[*:1]
CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1-c1ccccc1 CCN(CC)C(=O)CS[*:1] O=c1c2sc(=S)n(-c3ccccc3)c2nc(n1-c1ccccc1)[*:1]
CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1-c1ccccc1 CCN(CC)C(=O)[*:1] O=c1c2sc(=S)n(-c3ccccc3)c2nc(SC[*:1])n1-c1ccccc1
CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1-c1ccccc1 CCN(CC)C(=O)C[*:1] O=c1c2sc(=S)n(-c3ccccc3)c2nc(S[*:1])n1-c1ccccc1
CN(C)C(=O)c1cc(-c2ccccc2F)nc2ccccc12 CN(C)C(=O)[*:1] Fc1ccccc1-c1cc(c2ccccc2n1)[*:1]
CN(C)C(=O)c1cc(-c2ccccc2F)nc2ccccc12 Fc1ccccc1[*:1] CN(C)C(=O)c1cc(nc2ccccc12)[*:1]
C[C@H]1CN(CCNC(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)[*:1] CN(C)c1[nH+]cccc1CNC(=O)NCC[*:1]
C[C@H]1CN(CCNC(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H](C)O1 CN(C)[*:1] C[C@H]1CN(CCNC(=O)NCc2ccc[nH+]c2[*:1])C[C@@H](C)O1
CCC1(CC)CCN(c2ncc(C[NH2+]C3CC3)s2)C1 C1CC1[*:1] CCC1(CC)CCN(C1)c1ncc(C[NH2+][*:1])s1
Cc1cc(NC(=O)[C@H](C[NH3+])CC(C)C)ccc1Br CC(C)C[*:1] Cc1cc(ccc1Br)NC(=O)[C@H](C[NH3+])[*:1]
Cc1cc(NC(=O)[C@H](C[NH3+])CC(C)C)ccc1Br CC(C)[*:1] Cc1cc(ccc1Br)NC(=O)[C@H](C[NH3+])C[*:1]
CN1C(=O)C[C@@](CC(=O)N2CCC([C@@H](O)c3ccccn3)CC2)(c2ccc(-c3ccccc3)cc2)C1=O c1ccc(nc1)[*:1] CN1C(=O)C[C@](CC(=O)N2CCC(CC2)[C@@H](O)[*:1])(C1=O)c1ccc(cc1)-c1ccccc1
CN1C(=O)C[C@@](CC(=O)N2CCC([C@@H](O)c3ccccn3)CC2)(c2ccc(-c3ccccc3)cc2)C1=O c1ccc(cc1)-c1ccc(cc1)[*:1] CN1C(=O)C[C@@](CC(=O)N2CCC(CC2)[C@@H](O)c2ccccn2)(C1=O)[*:1]
CN1C(=O)C[C@@](CC(=O)N2CCC([C@@H](O)c3ccccn3)CC2)(c2ccc(-c3ccccc3)cc2)C1=O c1ccc(cc1)[*:1] CN1C(=O)C[C@](CC(=O)N2CCC(CC2)[C@@H](O)c2ccccn2)(C1=O)c1ccc(cc1)[*:1]
CCOC(=O)c1sc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1C CCOC(=O)[*:1] Cc1nc(Sc2ccc(cc2[N+](=O)[O-])C(F)(F)F)sc1[*:1]
CCOC(=O)c1sc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1C O=[N+]([O-])[*:1] CCOC(=O)c1sc(nc1C)Sc1ccc(cc1[*:1])C(F)(F)F
CCOC(=O)c1sc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1C FC(F)(F)[*:1] CCOC(=O)c1sc(nc1C)Sc1ccc(cc1[N+](=O)[O-])[*:1]
O=C(Nc1cccc(CNc2ccc(Cl)cn2)c1)[C@@H]1CCCO1 Clc1ccc(nc1)[*:1] O=C(Nc1cccc(c1)CN[*:1])[C@@H]1CCCO1
C[C@@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)N[C@@H]1CCCN(C1=O)c1ccccc1)[*:1]
C[C@@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)c1cccs1 C[C@@H](c1cccs1)[*:1] O=C1[C@@H](CCCN1c1ccccc1)NC(=O)[*:1]
C[C@@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)c1cccs1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@@H]1CCCN(C1=O)[*:1])c1cccs1
C[C@H]1C[C@H]([NH3+])CN([C@@H](C)C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] C[C@H]1C[C@H]([NH3+])CN(C1)[C@@H](C)C(=O)N[*:1]
Cc1cccc(N[C@@H](CC(=O)N(C)C)C(N)=O)c1 CN(C)C(=O)[*:1] Cc1cccc(c1)N[C@@H](C[*:1])C(N)=O
Cc1cccc(N[C@@H](CC(=O)N(C)C)C(N)=O)c1 NC(=O)[*:1] Cc1cccc(c1)N[C@@H](CC(=O)N(C)C)[*:1]
Cc1cccc(N[C@@H](CC(=O)N(C)C)C(N)=O)c1 CN(C)C(=O)C[*:1] Cc1cccc(c1)N[C@@H](C(N)=O)[*:1]
C[C@@H](c1ccccc1Cl)N(C)[C@H](C[NH3+])CC(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@@H](c1ccccc1Cl)N(C)[C@H](C[NH3+])C[*:1]
C[C@@H](c1ccccc1Cl)N(C)[C@H](C[NH3+])CC(=O)NC1CC1 C1CC1[*:1] C[C@@H](c1ccccc1Cl)N(C)[C@H](C[NH3+])CC(=O)N[*:1]
C[C@@H](c1ccccc1Cl)N(C)[C@H](C[NH3+])CC(=O)NC1CC1 O=C(C[*:1])NC1CC1 C[C@@H](c1ccccc1Cl)N(C)[C@H](C[NH3+])[*:1]
C[C@@H](c1ccccc1Cl)N(C)[C@H](C[NH3+])CC(=O)NC1CC1 Clc1ccccc1[*:1] C[C@@H](N(C)[C@H](C[NH3+])CC(=O)NC1CC1)[*:1]
C/[NH+]=C(/NCc1n[nH]c(-c2ccco2)n1)N1CC[C@@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)[*:1] C/[NH+]=C(/NCc1n[nH]c(n1)-c1ccco1)N1CC[C@H](C1)C[*:1]
C/[NH+]=C(/NCc1n[nH]c(-c2ccco2)n1)N1CC[C@@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)C[*:1] C/[NH+]=C(/NCc1n[nH]c(n1)-c1ccco1)N1CC[C@@H](C1)[*:1]
C/[NH+]=C(/NCc1n[nH]c(-c2ccco2)n1)N1CC[C@@H](Cc2cnn(C)c2)C1 c1coc(c1)[*:1] C/[NH+]=C(/NCc1n[nH]c(n1)[*:1])N1CC[C@@H](Cc2cnn(C)c2)C1
CCOc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(Br)c1OC CCO[*:1] COc1c(Br)cc(cc1[*:1])[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2ncnn21
CCOc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(Br)c1OC c1ccc(cc1)[*:1] CCOc1cc(cc(Br)c1OC)[C@H]1C(C(=O)N[*:1])=C(C)Nc2ncnn21
CCOc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(Br)c1OC O=C(Nc1ccccc1)[*:1] CCOc1cc(cc(Br)c1OC)[C@H]1C(=C(C)Nc2ncnn21)[*:1]
C=CC[NH+](CC(=O)[O-])C(C)C CC(C)[*:1] C=CC[NH+](CC(=O)[O-])[*:1]
C=CC[NH+](CC(=O)[O-])C(C)C O=C([O-])[*:1] C=CC[NH+](C[*:1])C(C)C
C=CC[NH+](CC(=O)[O-])C(C)C C=CC[*:1] CC(C)[NH+](CC(=O)[O-])[*:1]
COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C COc1ccccc1[*:1] Cc1cc(Cl)ccc1NC(=O)[C@@H](NC(=O)[*:1])C(C)C
COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C Cc1cc(Cl)ccc1[*:1] COc1ccccc1C(=O)N[C@H](C(=O)N[*:1])C(C)C
COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(Cl)cc1C)C(C)C CC(C)[*:1] COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(Cl)cc1C)[*:1]
NS(=O)(=O)NC[C@H]1CCCN(C(=O)C[C@@H]2CCCCO2)C1 C1CC[C@@H](C[*:1])OC1 NS(=O)(=O)NC[C@H]1CCCN(C1)C(=O)[*:1]
NS(=O)(=O)NC[C@H]1CCCN(C(=O)C[C@@H]2CCCCO2)C1 NS(=O)(=O)N[*:1] O=C(C[C@@H]1CCCCO1)N1CCC[C@@H](C1)C[*:1]
NS(=O)(=O)NC[C@H]1CCCN(C(=O)C[C@@H]2CCCCO2)C1 C1CC[C@H](OC1)[*:1] NS(=O)(=O)NC[C@H]1CCCN(C1)C(=O)C[*:1]
NS(=O)(=O)NC[C@H]1CCCN(C(=O)C[C@@H]2CCCCO2)C1 NS(=O)(=O)NC[*:1] O=C(C[C@@H]1CCCCO1)N1CCC[C@@H](C1)[*:1]
Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)C1CCCC1 C1CCC(C1)[*:1] Cc1nc(sc1[C@H](C)[NH2+]C[C@@H](O)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)C1CCCC1 O[C@@H](C1CCCC1)[*:1] Cc1nc(sc1[C@H](C)[NH2+]C[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)C1CCCC1 c1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)[NH2+]C[C@@H](O)C1CCCC1)[*:1]
O[C@@H](CCC(F)(F)F)c1ccc(C2CC2)cc1 C1CC1[*:1] O[C@@H](CCC(F)(F)F)c1ccc(cc1)[*:1]
O[C@@H](CCC(F)(F)F)c1ccc(C2CC2)cc1 FC(F)(F)C[*:1] O[C@@H](C[*:1])c1ccc(cc1)C1CC1
O[C@@H](CCC(F)(F)F)c1ccc(C2CC2)cc1 FC(F)(F)[*:1] O[C@@H](CC[*:1])c1ccc(cc1)C1CC1
COc1ccc([C@H]2N=C(CS[C@@H]3N=NC(=O)c4cc(-c5cccs5)nn43)[C@H](C)O2)c(OC)c1 c1csc(c1)[*:1] COc1ccc(c(c1)OC)[C@H]1N=C(CS[C@@H]2N=NC(=O)c3cc(nn32)[*:1])[C@H](C)O1
COc1ccc([C@H]2N=C(CS[C@@H]3N=NC(=O)c4cc(-c5cccs5)nn43)[C@H](C)O2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] C[C@@H]1O[C@H](N=C1CS[C@@H]1N=NC(=O)c2cc(nn21)-c1cccs1)[*:1]
O=C([C@@H]1CC=CCC1)N1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C([C@@H]1CC=CCC1)N1CCC[C@@H](C1)[*:1]
Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CCN(C(=O)NC(C)(C)C)C2 CC(C)(C)[*:1] Cc1c(nnn1-c1cccc2CN(CCc21)C(=O)N[*:1])C(=O)NC[C@H]1CCCO1
c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)N1CCN(CC1)[C@H](c1nnnn1C1CCCCC1)[*:1]
c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1 C1CCC(CC1)[*:1] c1ccc(cc1)[C@@H](c1nnnn1[*:1])N1CCN(CC1)c1ccccc1
c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)[C@@H](c1nnnn1C1CCCCC1)N1CCN(CC1)[*:1]
NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1nccnc1N Nc1nccnc1[*:1] NC(=O)c1cc(ccc1NC(=O)[*:1])N1CCCCC1
NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1nccnc1N NC(=O)[*:1] Nc1nccnc1C(=O)Nc1ccc(cc1[*:1])N1CCCCC1
NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1nccnc1N C1CCN(CC1)[*:1] NC(=O)c1cc(ccc1NC(=O)c1nccnc1N)[*:1]
CCOC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 CCOC(=O)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)[*:1]
COC(=O)C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(C(C)C)cc1 COC(=O)[*:1] CC(C)c1ccc(cc1)[C@H](C[*:1])NC(=O)[C@H]1CCCO1
COC(=O)C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(C(C)C)cc1 C1CO[C@H](C1)[*:1] COC(=O)C[C@H](NC(=O)[*:1])c1ccc(cc1)C(C)C
COC(=O)C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(C(C)C)cc1 CC(C)[*:1] COC(=O)C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(cc1)[*:1]
COC(=O)C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(C(C)C)cc1 COC(=O)C[*:1] CC(C)c1ccc(cc1)[C@@H](NC(=O)[C@H]1CCCO1)[*:1]
O=C(CC1(O)CCCC1)NNc1nc(-c2ccccc2)no1 OC1(CCCC1)[*:1] O=C(C[*:1])NNc1nc(no1)-c1ccccc1
O=C(CC1(O)CCCC1)NNc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(CC1(O)CCCC1)NNc1nc(no1)[*:1]
O=C(CC1(O)CCCC1)NNc1nc(-c2ccccc2)no1 OC1(CCCC1)C[*:1] O=C(NNc1nc(no1)-c1ccccc1)[*:1]
CCC1(CC)[C@@H](NC(=O)NCc2ccc(C(=O)N(C)C)cc2)[C@H](C)[C@@H]1OC CN(C)C(=O)[*:1] CCC1(CC)[C@@H](NC(=O)NCc2ccc(cc2)[*:1])[C@H](C)[C@@H]1OC
O=C(NCCc1csc(-n2cccn2)n1)c1ccno1 c1cc(on1)[*:1] O=C(NCCc1csc(n1)-n1cccn1)[*:1]
O=C(NCCc1csc(-n2cccn2)n1)c1ccno1 c1cnn(c1)[*:1] O=C(NCCc1csc(n1)[*:1])c1ccno1
O=Cc1nc(-c2ccc([N+](=O)[O-])cc2)n2ccccc12 O=[N+]([O-])[*:1] O=Cc1nc(-c2ccc(cc2)[*:1])n2ccccc12
Nn1c(SCc2ccc(Br)cc2)nnc1-c1cccnc1 c1cncc(c1)[*:1] Nn1c(nnc1[*:1])SCc1ccc(Br)cc1
Nn1c(SCc2ccc(Br)cc2)nnc1-c1cccnc1 Brc1ccc(cc1)[*:1] Nn1c(nnc1-c1cccnc1)SC[*:1]
CN1C[C@@H](C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)CC1=O CN1C[C@@H](CC1=O)[*:1] O=C(C[C@@H]1CCCN1C(=O)[*:1])c1ccccc1
CN1C[C@@H](C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)CC1=O c1ccc(cc1)[*:1] CN1C[C@H](CC1=O)C(=O)N1CCC[C@H]1CC(=O)[*:1]
O=C(Nc1c(F)cccc1N1CCCC1)C(=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1c(F)cccc1N1CCCC1)C(=O)c1cnn(c1)[*:1]
O=C(Nc1c(F)cccc1N1CCCC1)C(=O)c1cnn(-c2ccccc2)c1 C1CCN(C1)[*:1] O=C(Nc1c(F)cccc1[*:1])C(=O)c1cnn(c1)-c1ccccc1
CC[C@H]1C(=O)NCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CC[C@H]1C(=O)NCCN1C(=O)c1csc(n1)[*:1]
CC[C@H](C)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C CC[C@H](C)NC(=O)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)NCc1ccccc1
CC[C@H](C)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C c1ccc(cc1)C[*:1] CC[C@H](C)NC(=O)c1cc(ccc1C)S(=O)(=O)N[*:1]
CC[C@H](C)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C CC[C@H](C)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)NCc1ccccc1
CC[C@H](C)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1cc(ccc1C)S(=O)(=O)NC[*:1]
CCOC(=O)[C@](NC(C)=O)(Nc1cccc(F)c1)C(F)(F)F CC(=O)N[*:1] CCOC(=O)[C@](Nc1cccc(F)c1)(C(F)(F)F)[*:1]
CCOC(=O)[C@](NC(C)=O)(Nc1cccc(F)c1)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@](NC(C)=O)(Nc1cccc(F)c1)[*:1]
CCOC(=O)[C@](NC(C)=O)(Nc1cccc(F)c1)C(F)(F)F Fc1cccc(c1)[*:1] CCOC(=O)[C@](NC(C)=O)(N[*:1])C(F)(F)F
CCOC(=O)[C@](NC(C)=O)(Nc1cccc(F)c1)C(F)(F)F CCOC(=O)[*:1] CC(=O)N[C@](Nc1cccc(F)c1)(C(F)(F)F)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1cccc[n+]1[O-] CCC[*:1] O=C(N[C@H]1C[C@H]1[*:1])c1cccc[n+]1[O-]
CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1C)C(c1ccccc1)=N2 Cc1c(Cl)cccc1[*:1] CC[NH+]1CCC2(CC1)N=C(SCC(=O)N[*:1])C(=N2)c1ccccc1
CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1C)C(c1ccccc1)=N2 c1ccc(cc1)[*:1] CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1C)C(=N2)[*:1]
Cc1cnn(C[C@H](C)NCc2ccnc(-c3ccccc3)n2)c1 Cc1cnn(c1)[*:1] C[C@@H](C[*:1])NCc1ccnc(n1)-c1ccccc1
Cc1cnn(C[C@H](C)NCc2ccnc(-c3ccccc3)n2)c1 Cc1cnn(c1)C[*:1] C[C@H](NCc1ccnc(n1)-c1ccccc1)[*:1]
Cc1cnn(C[C@H](C)NCc2ccnc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1cnn(c1)C[C@H](C)NCc1ccnc(n1)[*:1]
COc1cc(Nc2nc(Br)cs2)cc(OC)c1OC Brc1csc(n1)[*:1] COc1cc(cc(OC)c1OC)N[*:1]
Cc1ccc(NC(=O)CSc2nncn2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)CSc2nncn2C)c(c1)[*:1]
Cc1ccc(NC(=O)CSc2nncn2C)c([N+](=O)[O-])c1 Cn1cnnc1S[*:1] Cc1ccc(NC(=O)C[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)CSc2nncn2C)c([N+](=O)[O-])c1 Cn1cnnc1[*:1] Cc1ccc(NC(=O)CS[*:1])c(c1)[N+](=O)[O-]
COc1cccc(N2CCN(C(=O)C3CCN(c4ncnc5c4oc4ccccc45)CC3)CC2)c1 COc1cccc(c1)[*:1] O=C(C1CCN(CC1)c1ncnc2c1oc1ccccc12)N1CCN(CC1)[*:1]
Cc1nnc([C@H](C)Sc2nnc(-c3sccc3C)o2)o1 Cc1nnc(o1)[*:1] Cc1ccsc1-c1nnc(o1)S[C@@H](C)[*:1]
Cc1nnc([C@H](C)Sc2nnc(-c3sccc3C)o2)o1 Cc1ccsc1[*:1] Cc1nnc(o1)[C@H](C)Sc1nnc(o1)[*:1]
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccc(Cl)cc1 Clc1cccc(c1)[*:1] Cc1nn(c(Cl)c1/C=C(\C#N)C(=O)NCc1ccc(Cl)cc1)[*:1]
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)N[*:1]
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)NC[*:1]
COc1ccc(/C=C/C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1F c1ccc(cc1)C[*:1] COc1ccc(/C=C/C(=O)N2CCC[NH+](CC2)[*:1])cc1F
COc1ccc(/C=C/C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1F COc1ccc(cc1F)[*:1] O=C(C=C[*:1])N1CCC[NH+](CC1)Cc1ccccc1
COc1ccc(/C=C/C(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1F c1ccc(cc1)[*:1] COc1ccc(/C=C/C(=O)N2CCC[NH+](CC2)C[*:1])cc1F
CC(C)c1ccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)cc1 CC(C)[*:1] O=C(CNc1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CC(C)c1ccc(cc1)NC(=O)CNc1cccc(c1)[*:1]
Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)CCSc3ccccc3)nc12 c1ccc(cc1)SCC[*:1] Cc1ccc(C)c2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)CCSc3ccccc3)nc12 c1ccc(cc1)S[*:1] Cc1ccc(C)c2sc(nc12)N(C[C@H]1CCCO1)C(=O)CC[*:1]
Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)CCSc3ccccc3)nc12 c1ccc(cc1)SC[*:1] Cc1ccc(C)c2sc(nc12)N(C[C@H]1CCCO1)C(=O)C[*:1]
Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)CCSc3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1ccc(C)c2sc(nc12)N(C[C@H]1CCCO1)C(=O)CCS[*:1]
COc1ccc(F)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] COc1ccc(F)cc1NC(=O)c1ccc(cc1)[*:1]
COc1ccc(-c2nc(C[S@](=O)CC(=O)NC3CCCC3)c(C)o2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)-c1nc(C[S@](=O)CC(=O)N[*:1])c(C)o1
COc1ccc(-c2nc(C[S@](=O)CC(=O)NC3CCCC3)c(C)o2)cc1 O=C(NC1CCCC1)[*:1] COc1ccc(cc1)-c1nc(C[S@](=O)C[*:1])c(C)o1
COc1ccc(-c2nc(C[S@](=O)CC(=O)NC3CCCC3)c(C)o2)cc1 COc1ccc(cc1)[*:1] Cc1oc(nc1C[S@](=O)CC(=O)NC1CCCC1)[*:1]
C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NCc2cccnc2)C1 O=C([O-])[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[C@@H]1CC=CC[C@H]1[*:1])c2C(=O)NCc1cccnc1
C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NCc2cccnc2)C1 O=C(NCc1cccnc1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c2[*:1]
C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NCc2cccnc2)C1 c1cncc(c1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c2C(=O)NC[*:1]
C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NCc2cccnc2)C1 c1cncc(c1)C[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c2C(=O)N[*:1]
O=C(C[C@H]1COCCN1C(=O)c1c(O)cc(F)cc1F)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(c1c(O)cc(F)cc1F)N1CCOC[C@@H]1C[*:1]
O=C(C[C@H]1COCCN1C(=O)c1c(O)cc(F)cc1F)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1c(O)cc(F)cc1F)N1CCOC[C@@H]1CC(=O)[*:1]
C#CCOC(=O)CCCc1ncc(-c2ccccc2)o1 C#CC[*:1] O=C(CCCc1ncc(o1)-c1ccccc1)O[*:1]
C#CCOC(=O)CCCc1ncc(-c2ccccc2)o1 C#CCOC(=O)[*:1] c1ccc(cc1)-c1cnc(CCC[*:1])o1
C#CCOC(=O)CCCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C#CCOC(=O)CCCc1ncc(o1)[*:1]
CCCCCn1c(NN=C2CCCC2)nc2c1c(=O)[nH]c(=O)n2C CCCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NN=C1CCCC1)n2C[*:1]
CCCCCn1c(NN=C2CCCC2)nc2c1c(=O)[nH]c(=O)n2C CCCCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NN=C1CCCC1)n2[*:1]
CCCCCn1c(NN=C2CCCC2)nc2c1c(=O)[nH]c(=O)n2C C1CCC(C1)=NN[*:1] CCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)[*:1]
CCCCCn1c(NN=C2CCCC2)nc2c1c(=O)[nH]c(=O)n2C CCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NN=C1CCCC1)n2CC[*:1]
CC[C@@H](C)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 CC[C@@H](C)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1COc2ccccc2O1
CCn1c(C[NH2+]CCSc2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(C[NH2+]CCS[*:1])nc2ccccc21
CCn1c(C[NH2+]CCSc2ccccc2)nc2ccccc21 c1ccc(cc1)S[*:1] CCn1c(C[NH2+]CC[*:1])nc2ccccc21
C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O C1CC1[*:1] C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)CN1C(=O)N[C@@](C)(C1=O)C1CC1
C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O c1ccc(cc1)CC[*:1] C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C1=O)C1CC1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)CN1C(=O)N[C@@](C)(C1=O)C1CC1
O=C([O-])[C@@H](c1c[nH]c2ccccc12)[NH+]1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C([O-])[C@@H](c1c[nH]c2ccccc12)[NH+]1CCN(CC1)[*:1]
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(/C=C/C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cs1)[*:1]
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cs1 CC(=O)N(c1ccccc1)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)/C=C/c2csc(n2)[*:1])c(C)c1
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cs1 Cc1cc(C)c(c(C)c1)[*:1] CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NCC(=O)N[*:1])cs1
Cc1cccc(O[C@H](C)C(=O)Nc2nc(C)cs2)c1 Cc1csc(n1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N[*:1]
COC(C)(C)CNC(=O)[C@H](C)n1cccn1 COC(C)(C)[*:1] C[C@@H](C(=O)NC[*:1])n1cccn1
COC(C)(C)CNC(=O)[C@H](C)n1cccn1 c1cnn(c1)[*:1] COC(C)(C)CNC(=O)[C@H](C)[*:1]
CCSC[C@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 CCS[*:1] C[C@@H](C[*:1])[NH2+]Cc1cccc(c1)-n1cccn1
CCSC[C@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 CCSC[*:1] C[C@H]([NH2+]Cc1cccc(c1)-n1cccn1)[*:1]
CCSC[C@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] CCSC[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
Nc1nnc(CC(=O)N/N=C\C=C\c2cccc([N+](=O)[O-])c2)s1 Nc1nnc(C[*:1])s1 O=C(N/N=C\C=C\c1cccc(c1)[N+](=O)[O-])[*:1]
Nc1nnc(CC(=O)N/N=C\C=C\c2cccc([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] Nc1nnc(CC(=O)N/N=C\C=C\c2cccc(c2)[*:1])s1
Nc1nnc(CC(=O)N/N=C\C=C\c2cccc([N+](=O)[O-])c2)s1 Nc1nnc(s1)[*:1] O=C(C[*:1])N/N=C\C=C\c1cccc(c1)[N+](=O)[O-]
CCOc1ccc(/C=C2/NC(=O)NC2=O)cc1Cl CCO[*:1] O=C1NC(=O)/C(=C\c2ccc(c(Cl)c2)[*:1])N1
O=Cc1c[nH]nc1/C=C/c1c(C2CC2)nc2sccn12 C1CC1[*:1] O=Cc1c[nH]nc1/C=C/c1c(nc2sccn12)[*:1]
C[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)[*:1]
C[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C1CCCCC1 CC(C)(C)[*:1] C[C@H](NC(=O)CN(C)C(=O)O[*:1])C1CCCCC1
Fc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 Fc1ccc(cc1)[*:1] c1[nH]nc2CC[C@H](Cc12)[NH2+][C@H]1CCC[C@@H]1[*:1]
C#CCN(CC#C)C(=O)CSCc1ccncc1 C#CC[*:1] C#CCN(C(=O)CSCc1ccncc1)[*:1]
C#CCN(CC#C)C(=O)CSCc1ccncc1 c1cc(ccn1)[*:1] C#CCN(CC#C)C(=O)CSC[*:1]
C[C@@](N)(C(=O)Nc1cccnc1N1CCCC1)C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(C(=O)Nc1cccnc1N1CCCC1)[*:1]
C[C@@](N)(C(=O)Nc1cccnc1N1CCCC1)C(F)(F)F C1CCN(C1)[*:1] C[C@@](N)(C(=O)Nc1cccnc1[*:1])C(F)(F)F
CC(C)Oc1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)c(F)c1 CC(C)[*:1] O=C(Nc1ccc(cc1F)O[*:1])N1CC[NH+](CC1)C1CC1
CC(C)Oc1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)c(F)c1 CC(C)O[*:1] O=C(Nc1ccc(cc1F)[*:1])N1CC[NH+](CC1)C1CC1
CC(C)Oc1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)c(F)c1 C1CC1[*:1] CC(C)Oc1ccc(NC(=O)N2CC[NH+](CC2)[*:1])c(F)c1
CC[C@H](C)CC(=O)C(OC)OC CC[C@H](C)[*:1] COC(OC)C(=O)C[*:1]
COCc1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1 COC[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(=O)[nH]c1
CCOC(=O)[C@H]1CCCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C1 CCOC(=O)[*:1] O=C(N/C(=C\c1ccco1)C(=O)N1CCC[C@@H](C1)[*:1])c1ccccc1
CCOC(=O)[C@H]1CCCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)/C(=C/c1ccco1)NC(=O)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C1 O=C(N[*:1])c1ccccc1 CCOC(=O)[C@H]1CCCN(C1)C(=O)C(=Cc1ccco1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C1 c1coc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)C(=C[*:1])NC(=O)c1ccccc1
COc1cccc(-c2noc([C@@H](C)NC(=O)NCC3([O-])CCC3)n2)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)NCC1([O-])CCC1)c1nc(no1)[*:1]
C=CCc1cc(C(=O)CC)ccc1OC CCC(=O)[*:1] C=CCc1cc(ccc1OC)[*:1]
C=CCc1cc(C(=O)CC)ccc1OC C=CC[*:1] CCC(=O)c1ccc(OC)c(c1)[*:1]
C[C@H](O)CCC(=O)NC[C@@H]1COCCO1 C[C@H](O)[*:1] O=C(CC[*:1])NC[C@@H]1COCCO1
C[C@H](O)CCC(=O)NC[C@@H]1COCCO1 C[C@H](O)C[*:1] O=C(C[*:1])NC[C@@H]1COCCO1
C[C@H](O)CCC(=O)NC[C@@H]1COCCO1 C[C@H](O)CC[*:1] O=C(NC[C@@H]1COCCO1)[*:1]
Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCCN(c3cccnn3)C1)CCO2 c1cnnc(c1)[*:1] Cc1cc2OCC[C@H]([NH2+][C@@H]3CCCN(C3)[*:1])c2cc1C
Cc1cn(-c2ccccc2Cl)nc1NC(=O)NC[C@]1(C)CCCS1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)NC[C@]1(C)CCCS1)[*:1]
COC[C@](C)(O)CNS(=O)(=O)c1ccccc1F COC[C@](C)(O)[*:1] O=S(=O)(NC[*:1])c1ccccc1F
COC[C@](C)(O)CNS(=O)(=O)c1ccccc1F COC[*:1] C[C@](O)(CNS(=O)(=O)c1ccccc1F)[*:1]
COc1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccc(C)cc4)c(=O)[nH]c23)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)c1cn(C)c2c(=O)n(c(=O)[nH]c12)[*:1]
COc1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccc(C)cc4)c(=O)[nH]c23)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(=O)[nH]c2c(cn(C)c2c1=O)C(=O)N[*:1]
C[NH+](C)C[C@@H]1COCCN1C(=O)c1cc(C2CC2)on1 C1CC1[*:1] C[NH+](C)C[C@@H]1COCCN1C(=O)c1cc(on1)[*:1]
O=C(CCCC[NH+]1CCCC1)N1CCC[C@H](n2cccn2)C1 c1cnn(c1)[*:1] O=C(CCCC[NH+]1CCCC1)N1CCC[C@H](C1)[*:1]
CCOC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)o1 Fc1cccc(c1F)[*:1] CCOC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[*:1])o1
CCOC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)o1 CCOC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])[C@@H]1C[C@H]1c1cccc(F)c1F
CCc1ccsc1CNS(=O)(=O)c1cc(OC)ccc1OC CCc1ccsc1[*:1] COc1ccc(OC)c(c1)S(=O)(=O)NC[*:1]
CCn1c(C)cc(C[C@@H]([NH3+])CC(C)C)c1C CC(C)C[*:1] CCn1c(C)cc(C[C@@H]([NH3+])[*:1])c1C
CCn1c(C)cc(C[C@@H]([NH3+])CC(C)C)c1C CC(C)[*:1] CCn1c(C)cc(C[C@@H]([NH3+])C[*:1])c1C
C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1C[C@@H]1[*:1]
C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 c1ccc(nc1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1
C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 c1ccc(C[*:1])nc1 C[NH+](C)CCN(C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)[*:1]
COc1ccccc1COC1CCN(C(=O)c2noc3c2CCCC3)CC1 C1CCc2c(noc2C1)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)[*:1]
COc1ccccc1COC1CCN(C(=O)c2noc3c2CCCC3)CC1 COc1ccccc1C[*:1] O=C(c1noc2CCCCc12)N1CCC(CC1)O[*:1]
COc1ccccc1COC1CCN(C(=O)c2noc3c2CCCC3)CC1 COc1ccccc1[*:1] O=C(c1noc2CCCCc12)N1CCC(CC1)OC[*:1]
CCN(Cc1ccn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCN(Cc1ccn(n1)[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1 COc1ccc(cc1)[*:1] O=C1OC(=NC1=C[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1 O=[N+]([O-])[*:1] COc1ccc(/C=C2\N=C(OC2=O)c2ccc(cc2Cl)[*:1])cc1
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3cc(C)ccc3O)C2)c1 Cc1ccc(O)c(c1)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3cc(C)ccc3O)C2)c1 CCOC(=O)[*:1] Cc1ccc(O)c(c1)C(=O)N1CCC[C@H](C1)n1cc(cn1)[*:1]
CC(C)[C@H]1CC[C@@H](C)c2c(-c3ccc(Br)cc3)n[nH]c21 CC(C)[*:1] C[C@@H]1CC[C@@H](c2[nH]nc(-c3ccc(Br)cc3)c21)[*:1]
Cn1nc(C(=O)NCCCn2cccn2)c(=O)c2cc(Cl)ccc21 c1cnn(c1)CCC[*:1] Cn1nc(C(=O)N[*:1])c(=O)c2cc(Cl)ccc21
Cn1nc(C(=O)NCCCn2cccn2)c(=O)c2cc(Cl)ccc21 c1cnn(c1)C[*:1] Cn1nc(C(=O)NCC[*:1])c(=O)c2cc(Cl)ccc21
Cn1nc(C(=O)NCCCn2cccn2)c(=O)c2cc(Cl)ccc21 c1cnn(c1)CC[*:1] Cn1nc(C(=O)NC[*:1])c(=O)c2cc(Cl)ccc21
Cn1nc(C(=O)NCCCn2cccn2)c(=O)c2cc(Cl)ccc21 c1cnn(c1)[*:1] Cn1nc(C(=O)NCCC[*:1])c(=O)c2cc(Cl)ccc21
CC(C)(O)CCc1cccc(C(=O)NCc2ccc(-n3cncn3)cc2)c1 CC(C)(O)C[*:1] O=C(NCc1ccc(cc1)-n1cncn1)c1cccc(c1)C[*:1]
CC(C)(O)CCc1cccc(C(=O)NCc2ccc(-n3cncn3)cc2)c1 c1ncn(n1)[*:1] CC(C)(O)CCc1cccc(c1)C(=O)NCc1ccc(cc1)[*:1]
CC(C)(O)CCc1cccc(C(=O)NCc2ccc(-n3cncn3)cc2)c1 CC(C)(O)[*:1] O=C(NCc1ccc(cc1)-n1cncn1)c1cccc(c1)CC[*:1]
CC(C)(O)CCc1cccc(C(=O)NCc2ccc(-n3cncn3)cc2)c1 CC(C)(O)CC[*:1] O=C(NCc1ccc(cc1)-n1cncn1)c1cccc(c1)[*:1]
C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)c1c[nH]c2ccccc12 c1csc(c1)[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)c1c[nH]c2ccccc12
Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1C O=C(NC1CCCCC1)[*:1] Cc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C1(CC1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1C Cc1ccc(cc1C)[*:1] O=C(NC1CCCCC1)C1(CC1)c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1C C1CCC(CC1)[*:1] Cc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C1(CC1)C(=O)N[*:1]
CCCCn1nc(C(=O)NNC(=O)c2cccc(N(C)C)c2)ccc1=O CN(C)[*:1] CCCCn1nc(ccc1=O)C(=O)NNC(=O)c1cccc(c1)[*:1]
CCCCn1nc(C(=O)NNC(=O)c2cccc(N(C)C)c2)ccc1=O CCC[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)c1ccc(=O)n(C[*:1])n1
CCCCn1nc(C(=O)NNC(=O)c2cccc(N(C)C)c2)ccc1=O CCCC[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)c1ccc(=O)n(n1)[*:1]
Cc1ccc2c(COC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc(=O)oc2c1 c1ccc(cc1)[*:1] Cc1ccc2c(cc(=O)oc2c1)COC(=O)C1CCN(CC1)C(=O)N[*:1]
COc1ccc2sc(N(Cc3ccccc3)C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)nc2c1 c1ccc(cc1)C[*:1] COc1ccc2sc(nc2c1)N(C(=O)[C@@H]1Oc2ccccc2O[C@H]1C)[*:1]
COc1ccc2sc(N(Cc3ccccc3)C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)nc2c1 c1ccc(cc1)[*:1] COc1ccc2sc(nc2c1)N(C[*:1])C(=O)[C@@H]1Oc2ccccc2O[C@H]1C
CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccn1)CCC2 CCOC(=O)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccccn3)c21)C(=O)Nc1ccccc1[*:1]
CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccn1)CCC2 c1ccc(nc1)[*:1] CCOC(=O)c1ccccc1NC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccn1)CCC2 CCOC(=O)c1ccccc1[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccccn3)c21)C(=O)N[*:1]
C[C@@](O)(CNC(=O)c1cccc[n+]1[O-])c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)c1cccc[n+]1[O-])[*:1]
C[C@@](O)(CNC(=O)c1cccc[n+]1[O-])c1ccc(F)cc1 [O-][n+]1ccccc1[*:1] C[C@@](O)(CNC(=O)[*:1])c1ccc(F)cc1
c1ccc(-c2csc(C[NH2+]C3CCCC3)n2)cc1 c1ccc(cc1)[*:1] c1sc(C[NH2+]C2CCCC2)nc1[*:1]
c1ccc(-c2csc(C[NH2+]C3CCCC3)n2)cc1 C1CCC(C1)[*:1] c1ccc(cc1)-c1csc(C[NH2+][*:1])n1
c1ccc2ncc(Cn3ccnc3-c3ccc(-c4cc[nH]n4)o3)cc2c1 c1cc(n[nH]1)[*:1] c1ccc2ncc(cc2c1)Cn1ccnc1-c1ccc(o1)[*:1]
CSc1ccc(O[C@@H](C)C(=O)NC[C@@](C)(O)c2cccs2)cc1 c1csc(c1)[*:1] CSc1ccc(cc1)O[C@@H](C)C(=O)NC[C@@](C)(O)[*:1]
O=C([O-])c1cc(F)c(O[C@H]2CCCCNC2=O)c(F)c1 O=C([O-])[*:1] O=C1NCCCC[C@@H]1Oc1c(F)cc(cc1F)[*:1]
CCC[NH2+][C@@H]1CCCC[C@H]1Cc1ccc(CC)cn1 CCC[*:1] CCc1ccc(C[C@@H]2CCCC[C@H]2[NH2+][*:1])nc1
CCC[NH2+][C@H](Cc1cc(C)ccc1C)[C@H]1CSCCO1 CCC[*:1] Cc1ccc(C)c(c1)C[C@@H]([NH2+][*:1])[C@H]1CSCCO1
CCC[C@@H]1NC(=O)N(C[C@H](O)c2ccccc2F)C1=O CCC[*:1] O=C1N[C@H](C(=O)N1C[C@H](O)c1ccccc1F)[*:1]
CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1CC(N)=O NC(=O)C[*:1] CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1[*:1]
CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1CC(N)=O NC(=O)[*:1] CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C[*:1]
CN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] CN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(cc1F)[*:1]
O=C(/C=C/c1ccco1)OCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1 C(=C[*:1])c1ccco1 O=C1N=C(COC(=O)[*:1])N=C2S[C@@H]3CCCCC3=C12
O=C(/C=C/c1ccco1)OCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1 c1coc(c1)[*:1] O=C(C=C[*:1])OCC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21
CCCOc1ccccc1/C=C/C(=O)Nc1ccccc1F CCCO[*:1] O=C(/C=C/c1ccccc1[*:1])Nc1ccccc1F
CCCOc1ccccc1/C=C/C(=O)Nc1ccccc1F CCC[*:1] O=C(/C=C/c1ccccc1O[*:1])Nc1ccccc1F
CCCOc1ccccc1/C=C/C(=O)Nc1ccccc1F Fc1ccccc1[*:1] CCCOc1ccccc1/C=C/C(=O)N[*:1]
CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1 NC(=O)c1ccc(cc1)[*:1] CN(C)c1ncc(c(n1)[C@H]1CCCN1C(=O)CC1CCCC1)[*:1]
CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1 CN(C)[*:1] NC(=O)c1ccc(cc1)-c1cnc(nc1[C@H]1CCCN1C(=O)CC1CCCC1)[*:1]
CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1 C1CCC(C1)[*:1] CN(C)c1ncc(-c2ccc(cc2)C(N)=O)c(n1)[C@H]1CCCN1C(=O)C[*:1]
CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1 NC(=O)[*:1] CN(C)c1ncc(-c2ccc(cc2)[*:1])c(n1)[C@H]1CCCN1C(=O)CC1CCCC1
CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1 C1CCC(C1)C[*:1] CN(C)c1ncc(-c2ccc(cc2)C(N)=O)c(n1)[C@H]1CCCN1C(=O)[*:1]
O[C@H](CN[C@H]1CCOc2ccc(F)cc21)c1ccccc1Cl Clc1ccccc1[*:1] O[C@H](CN[C@H]1CCOc2ccc(F)cc21)[*:1]
O=C(CCCOc1cccc(F)c1)Nc1ccc2oc(=O)[nH]c2c1 Fc1cccc(c1)[*:1] O=C(CCCO[*:1])Nc1ccc2oc(=O)[nH]c2c1
O=C(CCCOc1cccc(F)c1)Nc1ccc2oc(=O)[nH]c2c1 Fc1cccc(c1)O[*:1] O=C(CCC[*:1])Nc1ccc2oc(=O)[nH]c2c1
CNC(=O)[C@H]1CCCN(c2ccnc(Cl)c2)C1 CNC(=O)[*:1] Clc1cc(ccn1)N1CCC[C@@H](C1)[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(c1cccc(F)c1Cl)N1CCCCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(c1cccc(F)c1Cl)N1CCCCC[C@H]1[*:1]
CNC(=O)c1ccc(NC(=O)C[C@H](C)CC(C)C)cc1 CC(C)C[C@@H](C)[*:1] CNC(=O)c1ccc(cc1)NC(=O)C[*:1]
CNC(=O)c1ccc(NC(=O)C[C@H](C)CC(C)C)cc1 CC(C)C[*:1] CNC(=O)c1ccc(cc1)NC(=O)C[C@H](C)[*:1]
CNC(=O)c1ccc(NC(=O)C[C@H](C)CC(C)C)cc1 CC(C)[*:1] CNC(=O)c1ccc(cc1)NC(=O)C[C@H](C)C[*:1]
CNC(=O)c1ccc(NC(=O)C[C@H](C)CC(C)C)cc1 CNC(=O)[*:1] CC(C)C[C@@H](C)CC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C[C@@H](C)NC(=O)c2c(F)ccc(N)c2F)s1 Cc1ccc(s1)[*:1] C[C@H](C[*:1])NC(=O)c1c(F)ccc(N)c1F
Cc1ccc(C[C@@H](C)NC(=O)c2c(F)ccc(N)c2F)s1 Cc1ccc(C[*:1])s1 C[C@@H](NC(=O)c1c(F)ccc(N)c1F)[*:1]
C[C@@H](CNC(=O)[C@H](C)n1cncn1)Sc1ccccc1 c1ncn(n1)[*:1] C[C@@H](CNC(=O)[C@H](C)[*:1])Sc1ccccc1
C[C@@H](CNC(=O)[C@H](C)n1cncn1)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@H](C)n1cncn1)S[*:1]
CC[C@H](C)C[S@](=O)Cc1nnnn1C1CC1 CC[C@H](C)[*:1] O=[S@](Cc1nnnn1C1CC1)C[*:1]
CC[C@H](C)C[S@](=O)Cc1nnnn1C1CC1 C1CC1[*:1] CC[C@H](C)C[S@](=O)Cc1nnnn1[*:1]
CC[C@H](C)C[S@](=O)Cc1nnnn1C1CC1 CC[C@H](C)C[*:1] O=[S@](Cc1nnnn1C1CC1)[*:1]
CCC[NH2+][C@]1(CO)CC[C@@H](OCC2CCOCC2)C1 CCC[*:1] OC[C@]1(CC[C@H](C1)OCC1CCOCC1)[NH2+][*:1]
CCC[NH2+][C@]1(CO)CC[C@@H](OCC2CCOCC2)C1 C1CC(CCO1)[*:1] CCC[NH2+][C@]1(CO)CC[C@H](C1)OC[*:1]
C/C(=N/NC(=O)c1c(Br)c(C)nn1C)c1cccc(NC(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] C/C(=N/NC(=O)c1c(Br)c(C)nn1C)c1cccc(c1)NC(=O)[*:1]
C/C(=N/NC(=O)c1c(Br)c(C)nn1C)c1cccc(NC(=O)c2ccccc2F)c1 Cc1nn(C)c(c1Br)[*:1] C/C(=N/NC(=O)[*:1])c1cccc(c1)NC(=O)c1ccccc1F
C/C(=N/NC(=O)c1c(Br)c(C)nn1C)c1cccc(NC(=O)c2ccccc2F)c1 O=C(N[*:1])c1ccccc1F C/C(=N/NC(=O)c1c(Br)c(C)nn1C)c1cccc(c1)[*:1]
COc1cc([C@@H]([NH3+])CO)ccc1OCc1ccccc1Cl Clc1ccccc1[*:1] COc1cc(ccc1OC[*:1])[C@@H]([NH3+])CO
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C2CCCC2)C2CC2)cc1 C1CC1[*:1] COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C2CCCC2)[*:1])cc1
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C2CCCC2)C2CC2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)C=C[*:1])C(=O)N(C1CCCC1)C1CC1
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C2CCCC2)C2CC2)cc1 C1CCC(C1)[*:1] COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C2CC2)[*:1])cc1
COc1ncccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 COc1ncccc1[*:1] O=C(c1ccco1)N1CCc2ccc(cc21)NC(=O)[*:1]
COc1ncccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 c1coc(c1)[*:1] COc1ncccc1C(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
OC[C@@H](Nc1cccc(Cl)c1)c1ccccc1C1CC1 C1CC1[*:1] OC[C@@H](Nc1cccc(Cl)c1)c1ccccc1[*:1]
CCc1ccc(C(=O)N2Cc3[nH+]c[nH]c3C[C@@H]2C(=O)[O-])o1 CCc1ccc(o1)[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)[*:1]
CCc1ccc(C(=O)N2Cc3[nH+]c[nH]c3C[C@@H]2C(=O)[O-])o1 O=C([O-])[*:1] CCc1ccc(o1)C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1[*:1]
CN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCOc5ccccc5)C(=O)[C@@H]24)O3)CC1=O c1ccc(cc1)OCC[*:1] CN1CCN(CC1=O)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
CN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCOc5ccccc5)C(=O)[C@@H]24)O3)CC1=O c1ccc(cc1)O[*:1] CN1CCN(CC1=O)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC[*:1])C(=O)[C@@H]13)O2
CN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCOc5ccccc5)C(=O)[C@@H]24)O3)CC1=O c1ccc(cc1)[*:1] CN1CCN(CC1=O)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCO[*:1])C(=O)[C@@H]13)O2
CN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCOc5ccccc5)C(=O)[C@@H]24)O3)CC1=O CN1CCN(CC1=O)C(=O)[*:1] O=C1[C@H]2[C@H]([C@@H]3C=C[C@@]2(CN1CCOc1ccccc1)O3)[*:1]
CN1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCOc5ccccc5)C(=O)[C@@H]24)O3)CC1=O c1ccc(cc1)OC[*:1] CN1CCN(CC1=O)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@@H]13)O2
O=C(CC1CCC1)NCCc1csc2ccccc12 C1CC(C1)[*:1] O=C(C[*:1])NCCc1csc2ccccc12
O=C(CC1CCC1)NCCc1csc2ccccc12 C1CC(C1)C[*:1] O=C(NCCc1csc2ccccc12)[*:1]
O=C(NC(=S)Nc1cccc(O)c1)c1sc2ccccc2c1Cl Oc1cccc(c1)[*:1] O=C(NC(=S)N[*:1])c1sc2ccccc2c1Cl
Cc1ccncc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccncc1NC(=O)c1cc(ccc1N1CCCC1)[*:1]
Cc1ccncc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 Cc1ccncc1[*:1] O=C(N[*:1])c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCCCC1
Cc1ccncc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 Cc1ccncc1NC(=O)[*:1] O=S(=O)(c1ccc(c(c1)[*:1])N1CCCC1)N1CCCCC1
Cc1ccncc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 C1CCN(C1)[*:1] Cc1ccncc1NC(=O)c1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1
COc1cccc(NC(=O)N2CCC[C@H]2c2cccn2C)c1 Cn1cccc1[*:1] COc1cccc(c1)NC(=O)N1CCC[C@@H]1[*:1]
CC[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)[*:1] CC[C@@H]1CC[C@@H](C1)[NH+]1CCN(CC1)C(=O)[*:1]
COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1nn2c3C[C@@H](CC(=O)c3cnc2c1-c1ccccc1)[*:1]
COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(=O)c2cnc3c(c(C)nn3c2C1)[*:1]
Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(CNC(N)=O)cc1 CC(C)(C)[*:1] Cn1nc(cc1C(=O)Nc1ccc(cc1)CNC(N)=O)[*:1]
Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(CNC(N)=O)cc1 NC(=O)NC[*:1] Cn1nc(cc1C(=O)Nc1ccc(cc1)[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(CNC(N)=O)cc1 NC(=O)N[*:1] Cn1nc(cc1C(=O)Nc1ccc(cc1)C[*:1])C(C)(C)C
O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1F c1ccc(cc1)C[*:1] O=C(NN=C(Cc1ccccc1)[*:1])c1ccccc1F
O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1F c1ccc(cc1)[*:1] O=C(NN=C(Cc1ccccc1)C[*:1])c1ccccc1F
O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1F Fc1ccccc1[*:1] O=C(NN=C(Cc1ccccc1)Cc1ccccc1)[*:1]
c1csc([C@H](NC[C@H]2C[NH+]3CCN2CC3)C2CC2)c1 c1csc(c1)[*:1] C1CC1[C@@H](NC[C@H]1C[NH+]2CCN1CC2)[*:1]
c1csc([C@H](NC[C@H]2C[NH+]3CCN2CC3)C2CC2)c1 C1CC1[*:1] c1csc(c1)[C@H](NC[C@H]1C[NH+]2CCN1CC2)[*:1]
C[C@H](OC(=O)c1ccccc1Oc1cccnc1)[C@@H]1CCOC1 c1cncc(c1)O[*:1] C[C@H](OC(=O)c1ccccc1[*:1])[C@@H]1CCOC1
C[C@H](OC(=O)c1ccccc1Oc1cccnc1)[C@@H]1CCOC1 c1cncc(c1)[*:1] C[C@H](OC(=O)c1ccccc1O[*:1])[C@@H]1CCOC1
CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 CCC[*:1] O=C1c2ccccc2N[C@H](c2ccc(o2)-c2ccc(cc2)S(=O)(=O)N2CCOCC2)N1[*:1]
CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 O=S(=O)(N1CCOCC1)[*:1] CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(o1)-c1ccc(cc1)[*:1]
N#Cc1ccc(N2CCC[C@H](c3ccccc3)CC2)nc1 c1ccc(cc1)[*:1] N#Cc1ccc(nc1)N1CCC[C@H](CC1)[*:1]
C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CCN1C(=O)OC[*:1])[NH2+]Cc1ccccc1
C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1C[C@H](CCN1C(=O)OCc1ccccc1)[NH2+][*:1]
C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CCN1C(=O)OCc1ccccc1)[NH2+]C[*:1]
C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1C[C@H](CCN1C(=O)O[*:1])[NH2+]Cc1ccccc1
COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] COC(=O)c1cc(ccc1N1CCO[C@@H](C1)[*:1])S(N)(=O)=O
COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 COC(=O)[*:1] NS(=O)(=O)c1ccc(c(c1)[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 NS(=O)(=O)[*:1] COC(=O)c1cc(ccc1N1CCO[C@H](C1)c1ccc(Cl)cc1)[*:1]
CON(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccccc2)c1 C[C@H](c1ccccc1)[*:1] CON(C)S(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
CON(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccccc2)c1 CON(C)S(=O)(=O)[*:1] C[C@H](c1ccccc1)N(C)C(=O)c1cccc(c1)[*:1]
CON(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] CON(C)S(=O)(=O)c1cccc(c1)C(=O)N(C)[C@H](C)[*:1]
Cc1cc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)ccc1[N+](=O)[O-] c1cnn(c1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)O[C@@H]1CCC[C@@H]1[*:1]
Cc1cc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)O[C@@H]1CCC[C@H]1n1cccn1
C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCOCC1)C(=O)N[C@H](C)c1ccccc1 Fc1cccc(c1)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)[*:1])C(=O)N[C@H](C)c1ccccc1
C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCOCC1)C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)c1cccc(F)c1)C(=O)N[C@H](C)[*:1]
C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCOCC1)C(=O)N[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)c1cccc(F)c1)C(=O)N[*:1]
CC(C)(C)[NH+](CCC(=O)[O-])Cc1ccccc1C1CC1 CC(C)(C)[*:1] O=C([O-])CC[NH+](Cc1ccccc1C1CC1)[*:1]
CC(C)(C)[NH+](CCC(=O)[O-])Cc1ccccc1C1CC1 C1CC1[*:1] CC(C)(C)[NH+](CCC(=O)[O-])Cc1ccccc1[*:1]
CC(C)(C)[NH+](CCC(=O)[O-])Cc1ccccc1C1CC1 O=C([O-])[*:1] CC(C)(C)[NH+](CC[*:1])Cc1ccccc1C1CC1
CN(CC1(CO)CCOCC1)C(=O)c1coc(CN2CCOCC2)c1 OCC1(CCOCC1)[*:1] CN(C[*:1])C(=O)c1coc(c1)CN1CCOCC1
CN(CC1(CO)CCOCC1)C(=O)c1coc(CN2CCOCC2)c1 C1CN(CCO1)C[*:1] CN(CC1(CO)CCOCC1)C(=O)c1coc(c1)[*:1]
CN(CC1(CO)CCOCC1)C(=O)c1coc(CN2CCOCC2)c1 C1CN(CCO1)[*:1] CN(CC1(CO)CCOCC1)C(=O)c1coc(c1)C[*:1]
COCc1ccc(CNC(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)cc1 Fc1cc(ccc1Cl)[*:1] COCc1ccc(cc1)CNC(=O)N[C@@H](CO)[*:1]
COCc1ccc(CNC(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)cc1 COC[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@@H](CO)c1ccc(Cl)c(F)c1
O=C(Cc1ccc(F)cc1)OCC(=O)N1CCC(Cc2ccccc2)CC1 Fc1ccc(cc1)C[*:1] O=C(COC(=O)[*:1])N1CCC(CC1)Cc1ccccc1
O=C(Cc1ccc(F)cc1)OCC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)OCC(=O)N1CCC(CC1)C[*:1]
O=C(Cc1ccc(F)cc1)OCC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Cc1ccc(F)cc1)OCC(=O)N1CCC(CC1)[*:1]
O=C(Cc1ccc(F)cc1)OCC(=O)N1CCC(Cc2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(C[*:1])OCC(=O)N1CCC(CC1)Cc1ccccc1
O=c1[nH]nc(Sc2nc(Cl)ncc2Cl)n1C1CC1 C1CC1[*:1] O=c1[nH]nc(Sc2nc(Cl)ncc2Cl)n1[*:1]
C[C@@H](CCn1cncn1)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] C[C@@H](CCn1cncn1)[NH2+][C@@H]1CCCN(C1=O)[*:1]
C[C@@H](CCn1cncn1)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O c1ncn(n1)[*:1] C[C@@H](CC[*:1])[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O
C[C@@H](CCn1cncn1)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O c1ncn(C[*:1])n1 C[C@@H](C[*:1])[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O
C[C@@H](CCn1cncn1)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] C[C@@H](CCn1cncn1)[NH2+][C@@H]1CCCN(C[*:1])C1=O
C[C@@H](CCn1cncn1)[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O c1ncn(CC[*:1])n1 C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)[*:1]
Cc1ccc(C(=O)Nc2nccs2)cc1[N+](=O)[O-] c1csc(n1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(C(=O)Nc2nccs2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1nccs1
COc1ccc(CNC(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)NC[*:1]
COc1ccc(CNC(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
COc1ccc(CNC(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)N[*:1]
O=C1[C@H](NS(=O)(=O)C2CCOCC2)CCCN1c1ccccc1F Fc1ccccc1[*:1] O=C1[C@@H](CCCN1[*:1])NS(=O)(=O)C1CCOCC1
O=C1[C@H](NS(=O)(=O)C2CCOCC2)CCCN1c1ccccc1F C1CC(CCO1)[*:1] O=C1[C@@H](CCCN1c1ccccc1F)NS(=O)(=O)[*:1]
Cc1nc(C2(NC(=O)Cc3cccc(OCC#N)c3)CCC2)no1 N#CCO[*:1] Cc1nc(no1)C1(CCC1)NC(=O)Cc1cccc(c1)[*:1]
Cc1nc(C2(NC(=O)Cc3cccc(OCC#N)c3)CCC2)no1 Cc1nc(no1)[*:1] N#CCOc1cccc(c1)CC(=O)NC1(CCC1)[*:1]
Cc1nc(C2(NC(=O)Cc3cccc(OCC#N)c3)CCC2)no1 N#CC[*:1] Cc1nc(no1)C1(CCC1)NC(=O)Cc1cccc(c1)O[*:1]
CCCCNC(=O)C[C@@H]1CSc2nccc(=O)n21 CCC[*:1] O=C(C[C@@H]1CSc2nccc(=O)n21)NC[*:1]
CCCCNC(=O)C[C@@H]1CSc2nccc(=O)n21 CCCC[*:1] O=C(C[C@@H]1CSc2nccc(=O)n21)N[*:1]
O=C(CSc1ccccc1)Nc1ccc2c(c1)CCC2 c1ccc(cc1)[*:1] O=C(CS[*:1])Nc1ccc2CCCc2c1
O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCCCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(NC[C@H]1CCN(C1)c1ccccc1)N1CCCCC[C@H]1[*:1]
O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCCCC[C@@H]1c1ccncc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCN(C1)[*:1])N1CCCCC[C@@H]1c1ccncc1
CC(=O)O[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1Cl CC(=O)O[*:1] O=C(NCc1ccc2OCOc2c1)[C@H](c1ccccc1Cl)[*:1]
CC(=O)O[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1Cl Clc1ccccc1[*:1] CC(=O)O[C@H](C(=O)NCc1ccc2OCOc2c1)[*:1]
CCOc1ccc(C(=O)Oc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] CC(=O)[*:1] CCOc1ccc(cc1[N+](=O)[O-])C(=O)Oc1cccc(c1)[*:1]
CCOc1ccc(C(=O)Oc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] CCO[*:1] CC(=O)c1cccc(c1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCOc1ccc(C(=O)Oc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])C(=O)Oc1cccc(c1)C(C)=O
O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)[NH+]1CCCCC1 c1csc(c1)[*:1] O=C(COc1ccc(Cl)cc1)NC[C@H]([NH+]1CCCCC1)[*:1]
O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)[NH+]1CCCCC1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])NC[C@H](c1cccs1)[NH+]1CCCCC1
O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)[NH+]1CCCCC1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])NC[C@H](c1cccs1)[NH+]1CCCCC1
Cc1ccc2c(CSc3nnc(-c4cccs4)o3)cc(=O)oc2c1C c1csc(c1)[*:1] Cc1ccc2c(cc(=O)oc2c1C)CSc1nnc(o1)[*:1]
C[NH+](C)CCCN(C(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2s1)OCO3 Clc1ccc(cc1)[*:1] C[NH+](C)CCCN(C(=O)[*:1])c1nc2cc3OCOc3cc2s1
N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3F)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(Nc1ccccc1F)C1CCN(CC1)[*:1]
N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3F)CC2)nc1 Fc1ccccc1[*:1] N#Cc1ccc(nc1)N1CCC(CC1)C(=O)N[*:1]
Cn1ccc(NC(=O)/C=C/c2ccc(-n3ccnc3)cc2)n1 Cn1ccc(n1)[*:1] O=C(/C=C/c1ccc(cc1)-n1ccnc1)N[*:1]
Cn1ccc(NC(=O)/C=C/c2ccc(-n3ccnc3)cc2)n1 c1cn(cn1)[*:1] Cn1ccc(n1)NC(=O)/C=C/c1ccc(cc1)[*:1]
CCCCCC(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 COC(=O)[*:1] CCCCCC(=O)N1CC[C@@H](c2ccccc21)[*:1]
CCCCCC(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 CCCC[*:1] COC(=O)[C@@H]1CCN(C(=O)C[*:1])c2ccccc21
CCCCCC(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 CCC[*:1] COC(=O)[C@@H]1CCN(C(=O)CC[*:1])c2ccccc21
CCCCCC(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 CCCCC[*:1] COC(=O)[C@@H]1CCN(C(=O)[*:1])c2ccccc21
CCOC(=O)C1(C)CCN(C(=O)c2cnn(-c3ccccc3C)c2)CC1 Cc1ccccc1[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)c1cnn(c1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2cnn(-c3ccccc3C)c2)CC1 CCOC(=O)[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N1CCC(C)(CC1)[*:1]
O=C([O-])CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1O O=C([O-])[*:1] O=S1(=O)C[C@@H](O)[C@H](C1)[NH2+]CC[*:1]
O=C([O-])CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1O O=C([O-])C[*:1] O=S1(=O)C[C@@H](O)[C@H](C1)[NH2+]C[*:1]
Clc1ccc(-c2csc(CN3CCOCC3)n2)c(Cl)c1 C1CN(CCO1)[*:1] Clc1ccc(-c2csc(C[*:1])n2)c(Cl)c1
C[C@H]1[C@@H](c2ccccc2)CCN1c1cc(-n2cccn2)nc(N)n1 c1cnn(c1)[*:1] C[C@H]1[C@H](CCN1c1cc(nc(N)n1)[*:1])c1ccccc1
C[C@H]1[C@@H](c2ccccc2)CCN1c1cc(-n2cccn2)nc(N)n1 c1ccc(cc1)[*:1] C[C@H]1[C@@H](CCN1c1cc(nc(N)n1)-n1cccn1)[*:1]
COCCn1ccc(NC(=O)N[C@H]2C[C@H]3CCCc4cccc2c43)n1 COCC[*:1] O=C(Nc1ccn(n1)[*:1])N[C@H]1C[C@H]2CCCc3cccc1c32
COCCn1ccc(NC(=O)N[C@H]2C[C@H]3CCCc4cccc2c43)n1 COC[*:1] O=C(Nc1ccn(C[*:1])n1)N[C@H]1C[C@H]2CCCc3cccc1c32
C[C@@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)C(C)(C)[*:1]
C[C@@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)C(C)(C)c1ccccc1 C1CN(CCO1)C[*:1] C[C@@H](NC(=O)N(C)C[C@H](O)[*:1])C(C)(C)c1ccccc1
C[C@@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)C(C)(C)c1ccccc1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)N(C)C[C@H](O)C[*:1])C(C)(C)c1ccccc1
Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(CC(C)C)C2=O)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(C[*:1])C1=O
Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(CC(C)C)C2=O)c1 Cc1cccc(c1)[*:1] CC(C)CN1C(=O)[C@@H](CC(=O)N[*:1])S/C1=N\c1ccccc1
Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(CC(C)C)C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)C[C@H]1SC(=N[*:1])N(CC(C)C)C1=O
Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(CC(C)C)C2=O)c1 CC(C)C[*:1] Cc1cccc(c1)NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(C1=O)[*:1]
C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccc2c(c1)OCCO2 Fc1cccc(c1)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1ccc2OCCOc2c1
O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CCO1 O=C([O-])[*:1] O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCO[C@@H](C1)C[*:1]
O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CCO1 O=C([O-])C[*:1] O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCO[C@@H](C1)[*:1]
Cn1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)n1 Cn1ccc(n1)[*:1] O=C(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
Cn1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)n1 O=[N+]([O-])[*:1] Cn1ccc(n1)C(=O)Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)C(=O)N1CCCCC1 Clc1ncccc1[*:1] C[C@@H](CC(=O)N[*:1])[NH2+][C@@H](C)C(=O)N1CCCCC1
C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)[*:1]
CCOc1cc(NC(=O)NCc2cc(Cl)ccn2)ccc1OC Clc1ccnc(c1)[*:1] CCOc1cc(ccc1OC)NC(=O)NC[*:1]
CCOc1cc(NC(=O)NCc2cc(Cl)ccn2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])NC(=O)NCc1cc(Cl)ccn1
CCN(CC)C(=O)CCC(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)CCC(=O)N1CCC[C@@H](C)[C@H]1[*:1]
CCN(CC)C(=O)CCC(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 CCN(CC)C(=O)C[*:1] Cc1ccc(cc1)[C@H]1[C@H](C)CCCN1C(=O)C[*:1]
CCN(CC)C(=O)CCC(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)[C@H]1[C@H](C)CCCN1C(=O)CC[*:1]
Cc1nn(CCNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c(C)c1Br FC(F)(F)[*:1] Cc1nn(CCNC(=O)c2cc3c(nn(C)c3s2)[*:1])c(C)c1Br
Cc1nn(CCNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c(C)c1Br Cc1nn(c(C)c1Br)[*:1] Cn1nc(c2cc(sc21)C(=O)NCC[*:1])C(F)(F)F
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)[*:1]
COc1cccc(CNC(=O)CNC(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] COc1cccc(c1)CNC(=O)CNC(=O)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)C[C@@H]1CCOc2ccccc21 FC(F)(F)CC[*:1] N#CCCN(C(=O)C[C@@H]1CCOc2ccccc21)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)C[C@@H]1CCOc2ccccc21 N#CC[*:1] O=C(C[C@@H]1CCOc2ccccc21)N(CCC(F)(F)F)C[*:1]
N#CCCN(CCC(F)(F)F)C(=O)C[C@@H]1CCOc2ccccc21 FC(F)(F)C[*:1] N#CCCN(C[*:1])C(=O)C[C@@H]1CCOc2ccccc21
N#CCCN(CCC(F)(F)F)C(=O)C[C@@H]1CCOc2ccccc21 N#CCC[*:1] O=C(C[C@@H]1CCOc2ccccc21)N(CCC(F)(F)F)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)C[C@@H]1CCOc2ccccc21 FC(F)(F)[*:1] N#CCCN(CC[*:1])C(=O)C[C@@H]1CCOc2ccccc21
O=C(CCCc1cccs1)Nc1ccc2c(c1)OCCCO2 c1csc(c1)C[*:1] O=C(CC[*:1])Nc1ccc2OCCCOc2c1
O=C(CCCc1cccs1)Nc1ccc2c(c1)OCCCO2 c1csc(c1)[*:1] O=C(CCC[*:1])Nc1ccc2OCCCOc2c1
O=C(CCCc1cccs1)Nc1ccc2c(c1)OCCCO2 c1csc(c1)CC[*:1] O=C(C[*:1])Nc1ccc2OCCCOc2c1
Cn1cccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCCC2)[C@H]1O Cn1cccc1[*:1] O[C@H]1[C@H](NC[*:1])[C@H]2CO[C@H](O2)[C@@H]1[NH+]1CCCCC1
Cn1cccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCCC2)[C@H]1O Cn1cccc1C[*:1] O[C@H]1[C@H](N[*:1])[C@H]2CO[C@H](O2)[C@@H]1[NH+]1CCCCC1
CC(C)c1n[nH]c(=S)n1CCNC(=O)c1cc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)c1cc(n[nH]1)[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)c1cc(-c2cccs2)n[nH]1 CC(C)[*:1] O=C(NCCn1c(n[nH]c1=S)[*:1])c1cc(n[nH]1)-c1cccs1
Cc1nc(C)c(S(=O)(=O)N(C)CC(C)(C)O)s1 CC(C)(O)[*:1] Cc1nc(C)c(s1)S(=O)(=O)N(C)C[*:1]
Cc1nc(C)c(S(=O)(=O)N(C)CC(C)(C)O)s1 CC(C)(O)C[*:1] Cc1nc(C)c(s1)S(=O)(=O)N(C)[*:1]
C[NH2+]Cc1ccc(-n2ccnc2)cc1 C[NH2+]C[*:1] c1cn(cn1)-c1ccc(cc1)[*:1]
CCc1ccc(C(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)o1 O=S1(=O)CC[C@@H](C1)[*:1] CCc1ccc(o1)C(=O)N(CC)CC(=O)N[*:1]
CCc1ccc(C(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)o1 CCc1ccc(o1)[*:1] CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[*:1]
CCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(F)nc2)C1 CCC(=O)N[*:1] O=C(c1ccc(F)nc1)N1CCC[C@H](C1)[*:1]
O=C(COc1ccccc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC(CC1)c1cncc(n1)-c1cccc(c1)C(F)(F)F
O=C(COc1ccccc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C(COc1ccccc1)N1CCC(CC1)c1cncc(n1)[*:1]
O=C(COc1ccccc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 FC(F)(F)[*:1] O=C(COc1ccccc1)N1CCC(CC1)c1cncc(n1)-c1cccc(c1)[*:1]
O=C(COc1ccccc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC(CC1)c1cncc(n1)-c1cccc(c1)C(F)(F)F
O=C(COc1ccccc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 c1ccc(cc1)OC[*:1] O=C(N1CCC(CC1)c1cncc(n1)-c1cccc(c1)C(F)(F)F)[*:1]
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3nc4ccccc4s3)cc2)nc(C)n1 c1ccc2sc(nc2c1)[*:1] Cc1cc(nc(C)n1)[N-]S(=O)(=O)c1ccc(cc1)NC(=O)CC[*:1]
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3nc4ccccc4s3)cc2)nc(C)n1 c1ccc2sc(C[*:1])nc2c1 Cc1cc(nc(C)n1)[N-]S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1csc(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)n1 Cc1csc(C[*:1])n1 Fc1ccc(cc1)-c1nc(cs1)C[NH2+][*:1]
Cc1csc(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)n1 Cc1csc(n1)[*:1] Fc1ccc(cc1)-c1nc(cs1)C[NH2+]C[*:1]
Cc1csc(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)n1 Fc1ccc(cc1)[*:1] Cc1csc(C[NH2+]Cc2csc(n2)[*:1])n1
N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc3c2OCO3)c1 FC(F)O[*:1] N#Cc1ccc(c(c1)NC(=O)c1cccc2OCOc21)[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc3c2OCO3)c1 FC(F)[*:1] N#Cc1ccc(O[*:1])c(c1)NC(=O)c1cccc2OCOc21
CCc1nn(C)c(OC)c1CN1CCOC[C@@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] CCc1nn(C)c(OC)c1CN1CCOC[C@H]1[*:1]
COc1cccc(C[NH+]2CCC(OCCC[NH3+])CC2)n1 [NH3+]CC[*:1] COc1cccc(C[NH+]2CCC(CC2)OC[*:1])n1
COc1cccc(C[NH+]2CCC(OCCC[NH3+])CC2)n1 [NH3+]CCC[*:1] COc1cccc(C[NH+]2CCC(CC2)O[*:1])n1
COc1cccc(C[NH+]2CCC(OCCC[NH3+])CC2)n1 [NH3+]CCCO[*:1] COc1cccc(C[NH+]2CCC(CC2)[*:1])n1
COc1cc(OC)cc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c1 Cc1cc(C)c(c(C)c1)[*:1] COc1cc(cc(c1)C(=O)N(C)CC(=O)N[*:1])OC
CC(C)[C@@H](CO)NC(=O)CNc1ccccc1 CC(C)[*:1] O=C(CNc1ccccc1)N[C@H](CO)[*:1]
C[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)c1ccc(cc1)NC(=O)N[*:1]
C[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] C[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)c1ccc(cc1)[*:1]
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] C1CC1[*:1] O=C(N[C@H](c1cccc(c1)C(F)(F)F)[*:1])[C@@H]1C[C@@H]1[N+](=O)[O-]
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)[C@@H]1C[C@H]1[*:1]
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] FC(F)(F)[*:1] O=C(N[C@H](c1cccc(c1)[*:1])C1CC1)[C@@H]1C[C@@H]1[N+](=O)[O-]
C[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2F)C[C@H](c2ccsc2)O1 Fc1ccccc1[*:1] C[C@@H]1CN(Cc2c[nH]nc2[*:1])C[C@@H](O1)c1ccsc1
C[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2F)C[C@H](c2ccsc2)O1 c1cc(cs1)[*:1] C[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2F)C[C@H](O1)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)NCc2ccco2)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)NCc1ccco1)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] Cc1ccc(c(c1)OCC(=O)N[*:1])C(C)C
Cc1ccc(C(C)C)c(OCC(=O)NCc2ccco2)c1 c1coc(c1)[*:1] Cc1ccc(c(c1)OCC(=O)NC[*:1])C(C)C
CCOCC(=O)NNC(=O)N[C@H](c1cc(F)ccc1F)C1CC1 CCO[*:1] O=C(C[*:1])NNC(=O)N[C@H](c1cc(F)ccc1F)C1CC1
CCOCC(=O)NNC(=O)N[C@H](c1cc(F)ccc1F)C1CC1 CCOC[*:1] O=C(NNC(=O)[*:1])N[C@H](c1cc(F)ccc1F)C1CC1
CCOCC(=O)NNC(=O)N[C@H](c1cc(F)ccc1F)C1CC1 C1CC1[*:1] CCOCC(=O)NNC(=O)N[C@H](c1cc(F)ccc1F)[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)N1CC[C@H](c3ccccc3)C1)C2 c1ccc(cc1)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N1CC[C@H](C1)[*:1]
O=C([O-])c1cccc(N[C@H]2CCCC[C@@H]2O)c1 O=C([O-])[*:1] O[C@H]1CCCC[C@@H]1Nc1cccc(c1)[*:1]
C[C@H]([NH3+])Cc1ccc(Br)cc1F C[C@H]([NH3+])C[*:1] Fc1cc(Br)ccc1[*:1]
O=C(CC(C1CC1)C1CC1)N1CCN([C@@H]2CCC[C@H]2O)CC1 C1CC1[*:1] O=C(CC(C1CC1)[*:1])N1CCN(CC1)[C@@H]1CCC[C@H]1O
O=C(CC(C1CC1)C1CC1)N1CCN([C@@H]2CCC[C@H]2O)CC1 C1CC1C(C1CC1)[*:1] O=C(C[*:1])N1CCN(CC1)[C@@H]1CCC[C@H]1O
C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)CO1 O=[N+]([O-])[*:1] C[C@H]1CN(CCn2cc(ccc2=O)[*:1])C(C)(C)CO1
O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)[C@H]1C[C@@H]1[*:1]
CC[NH2+]Cc1c(C)nn(C)c1N(CC)c1ccccc1C Cc1ccccc1[*:1] CC[NH2+]Cc1c(C)nn(C)c1N(CC)[*:1]
C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccn3)nn21 c1cc2OCOc2cc1C[*:1] C[C@H]([C@H]1C2C(=O)CCCC=2Nc2nc(nn21)SCc1ccccn1)[*:1]
C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccn3)nn21 c1ccc(C[*:1])nc1 C[C@H](Cc1ccc2OCOc2c1)[C@H]1C2C(=O)CCCC=2Nc2nc(nn21)S[*:1]
C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccn3)nn21 c1ccc(nc1)[*:1] C[C@H](Cc1ccc2OCOc2c1)[C@H]1C2C(=O)CCCC=2Nc2nc(nn21)SC[*:1]
C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccn3)nn21 c1ccc(CS[*:1])nc1 C[C@H](Cc1ccc2OCOc2c1)[C@H]1C2C(=O)CCCC=2Nc2nc(nn21)[*:1]
C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccn3)nn21 c1cc2OCOc2cc1[*:1] C[C@H](C[*:1])[C@H]1C2C(=O)CCCC=2Nc2nc(nn21)SCc1ccccn1
CC(C)c1noc([C@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)c1noc(n1)[C@H](C)Sc1nc2ccsc2c(=O)n1[*:1]
CC(C)c1noc([C@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 CC(C)[*:1] C[C@H](Sc1nc2ccsc2c(=O)n1-c1ccccc1)c1nc(no1)[*:1]
CC(C)c1noc([C@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 CC(C)c1noc(n1)[*:1] C[C@H](Sc1nc2ccsc2c(=O)n1-c1ccccc1)[*:1]
CCN1C[C@H](CN(C)c2cc(-c3ccccc3)nc3cc(C)nn23)CC1=O c1ccc(cc1)[*:1] CCN1C[C@@H](CC1=O)CN(C)c1cc(nc2cc(C)nn12)[*:1]
CCC(CC)CNC(=O)N(C)C[C@H](C)O C[C@H](O)[*:1] CCC(CC)CNC(=O)N(C)C[*:1]
CCC(CC)CNC(=O)N(C)C[C@H](C)O CCC(CC)[*:1] C[C@H](O)CN(C)C(=O)NC[*:1]
CCC(CC)CNC(=O)N(C)C[C@H](C)O C[C@H](O)C[*:1] CCC(CC)CNC(=O)N(C)[*:1]
Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1nnc(-c2cccc(F)c2)n1 Cc1cc(Br)ccc1[*:1] O=C(Cn1nnc(n1)-c1cccc(F)c1)NCC(=O)N[*:1]
Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1nnc(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1nnc(n1)[*:1]
N#C/C(=C\c1ccco1)C(=O)c1ccc(Br)cc1 c1coc(c1)[*:1] N#CC(=C[*:1])C(=O)c1ccc(Br)cc1
CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)c3cc(F)ccc3Cl)cc2s1 Fc1ccc(Cl)c(c1)[*:1] CC(C)CS(=O)(=O)c1nc2ccc(cc2s1)NC(=O)[*:1]
CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)c3cc(F)ccc3Cl)cc2s1 CC(C)CS(=O)(=O)[*:1] O=C(Nc1ccc2nc(sc2c1)[*:1])c1cc(F)ccc1Cl
CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)c3cc(F)ccc3Cl)cc2s1 CC(C)C[*:1] O=C(Nc1ccc2nc(sc2c1)S(=O)(=O)[*:1])c1cc(F)ccc1Cl
CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)c3cc(F)ccc3Cl)cc2s1 CC(C)[*:1] O=C(Nc1ccc2nc(sc2c1)S(=O)(=O)C[*:1])c1cc(F)ccc1Cl
C[C@H]1NC(C(=O)Nc2cnn(C)c2)=NN(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@H]1NC(=NN(C1=O)[*:1])C(=O)Nc1cnn(C)c1
C[C@H]1NC(C(=O)Nc2cnn(C)c2)=NN(c2ccccc2)C1=O Cn1cc(cn1)[*:1] C[C@H]1NC(=NN(C1=O)c1ccccc1)C(=O)N[*:1]
CC(C)CCC(=O)N1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 CC(C)CC[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 CC(C)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)N1CCN(CC1)C(=O)CC[*:1]
CC(C)CCC(=O)N1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 CC(C)C[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccco1)C2 c1coc(c1)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N[C@@H](C)C(=O)NC[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccco1)C2 c1coc(c1)C[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N[C@@H](C)C(=O)N[*:1]
C[NH+](CCNC(=O)COc1ccc(Cl)c(Cl)c1)C1CC1 C1CC1[*:1] C[NH+](CCNC(=O)COc1ccc(Cl)c(Cl)c1)[*:1]
O=C(Nc1ccccc1Br)N1CCN(CCn2cnc3cccnc32)CC1 Brc1ccccc1[*:1] O=C(N[*:1])N1CCN(CC1)CCn1cnc2cccnc21
O=C(Nc1ccccc1Br)N1CCN(CCn2cnc3cccnc32)CC1 c1cnc2c(c1)ncn2[*:1] O=C(Nc1ccccc1Br)N1CCN(CC1)CC[*:1]
O=C(CC[C@@H]1NC(=O)N(C2CCCCC2)C1=O)N1CCc2cc(Cl)ccc21 C1CCC(CC1)[*:1] O=C(CC[C@@H]1NC(=O)N(C1=O)[*:1])N1CCc2cc(Cl)ccc21
CC(C)([C@@H]([NH3+])C[C@H]1Cc2ccccc21)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)([C@@H]([NH3+])C[C@H]1Cc2ccccc21)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)c3cccc4cccc2c34)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)CN2C(=O)c3cccc4cccc2c34)c(C)c1[*:1]
O=C([O-])/C=C/C(=O)c1ccc(F)c(Br)c1 O=C([O-])[*:1] O=C(C=C[*:1])c1ccc(F)c(Br)c1
O=C([O-])/C=C/C(=O)c1ccc(F)c(Br)c1 O=C([O-])C=C[*:1] O=C(c1ccc(F)c(Br)c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C(F)(F)F)[C@H]2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@@H]1N(CCCN1S(=O)(=O)[*:1])C(=O)C(F)(F)F
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C(F)(F)F)[C@H]2C(C)C)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCN(C(=O)[*:1])[C@H]1C(C)C
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C(F)(F)F)[C@H]2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCN(C(=O)C(F)(F)F)[C@@H]1[*:1]
Cc1ccc(C)c(OCC(=O)Nc2ccc(OC(F)F)cc2)c1 FC(F)O[*:1] Cc1ccc(C)c(c1)OCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C)c(OCC(=O)Nc2ccc(OC(F)F)cc2)c1 FC(F)[*:1] Cc1ccc(C)c(c1)OCC(=O)Nc1ccc(cc1)O[*:1]
CCONC(=O)c1nn(-c2ccccc2)cc1OC CCONC(=O)[*:1] COc1cn(nc1[*:1])-c1ccccc1
CCONC(=O)c1nn(-c2ccccc2)cc1OC c1ccc(cc1)[*:1] CCONC(=O)c1nn(cc1OC)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)S[C@@H](C)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(OC)cc1 CCC[C@@H](C)[*:1] COc1ccc(cc1)S[C@@H](C)C(=O)N[*:1]
COC[C@@H](O)c1ccc(Br)cc1 COC[*:1] O[C@@H](c1ccc(Br)cc1)[*:1]
C[C@H](OC(=O)c1cn(C)nc1-c1cccs1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)c1cn(C)nc1-c1cccs1)[*:1]
C[C@H](OC(=O)c1cn(C)nc1-c1cccs1)c1nccs1 c1csc(c1)[*:1] C[C@H](OC(=O)c1cn(C)nc1[*:1])c1nccs1
C[C@H](OC(=O)c1cn(C)nc1-c1cccs1)c1nccs1 C[C@H](c1nccs1)[*:1] Cn1cc(C(=O)O[*:1])c(n1)-c1cccs1
Cc1csc(=O)n1CCCC(=O)Nc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] Cc1csc(=O)n1CCCC(=O)Nc1ccccc1[*:1]
Cc1csc(=O)n1CCCC(=O)Nc1ccccc1N1CCOCC1 Cc1csc(=O)n1[*:1] O=C(CCC[*:1])Nc1ccccc1N1CCOCC1
Cc1csc(=O)n1CCCC(=O)Nc1ccccc1N1CCOCC1 Cc1csc(=O)n1C[*:1] O=C(CC[*:1])Nc1ccccc1N1CCOCC1
Cc1ccc(OCCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OCCCC[NH+]2CCOCC2)c(c1)[*:1]
N#Cc1ccccc1COc1ccc(C(=O)Nc2nncs2)cc1 O=C(Nc1nncs1)[*:1] N#Cc1ccccc1COc1ccc(cc1)[*:1]
N#Cc1ccccc1COc1ccc(C(=O)Nc2nncs2)cc1 N#Cc1ccccc1[*:1] O=C(Nc1nncs1)c1ccc(cc1)OC[*:1]
N#Cc1ccccc1COc1ccc(C(=O)Nc2nncs2)cc1 c1nnc(s1)[*:1] N#Cc1ccccc1COc1ccc(cc1)C(=O)N[*:1]
O=C([O-])c1cc2ccc(F)cc2o1 O=C([O-])[*:1] Fc1ccc2cc(oc2c1)[*:1]
O=C(Nc1ccccc1)c1csc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1csc(n1)N[*:1]
O=C(Nc1ccccc1)c1csc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(N[*:1])c1csc(n1)Nc1ccccc1
O=C(Nc1ccccc1)c1csc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] O=C(Nc1ccccc1)c1csc(n1)[*:1]
C[C@@H](CNC(=O)COC1CCCCC1)Oc1ccccc1 C1CCC(CC1)O[*:1] C[C@@H](CNC(=O)C[*:1])Oc1ccccc1
C[C@@H](CNC(=O)COC1CCCCC1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)COC1CCCCC1)O[*:1]
C[C@@H](CNC(=O)COC1CCCCC1)Oc1ccccc1 C1CCC(CC1)[*:1] C[C@@H](CNC(=O)CO[*:1])Oc1ccccc1
C[C@@H](CNC(=O)COC1CCCCC1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)COC1CCCCC1)[*:1]
C[C@@H]1[C@@]2(O)C[C@H](c3ccccc3)C(C#N)(C#N)[C@]1(C#N)C(=O)N2 c1ccc(cc1)[*:1] C[C@@H]1[C@@]2(O)C[C@H](C(C#N)(C#N)[C@]1(C#N)C(=O)N2)[*:1]
COc1cc2c(C(=O)N(C)c3cc(Cl)ccc3OC)cn(C)c(=O)c2cc1OC COc1ccc(Cl)cc1[*:1] COc1cc2c(cn(C)c(=O)c2cc1OC)C(=O)N(C)[*:1]
Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 Cc1nn(C)c(C)c1[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccc(cn1)C(=O)N[C@H](C)[*:1]
Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 C[C@@H]1CN(C[C@@H](C)O1)[*:1] Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc(nc1)[*:1]
C[C@@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)[O-] O=C([O-])C[*:1] C[C@@H](c1ccccc1)[C@@H](C(=O)[O-])[*:1]
C[C@@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)[O-] O=C([O-])[*:1] C[C@@H](c1ccccc1)[C@@H](C[*:1])C(=O)[O-]
C[C@@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)[O-] O=C([O-])[*:1] C[C@@H](c1ccccc1)[C@@H](CC(=O)[O-])[*:1]
Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@@H]1CC=CCC1 O=C(N1CCSCC1)[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CC=CCC1)[*:1]
Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCCOc2ccc(F)cc21 Cc1ccoc1[*:1] O=C(NCCC[NH2+][C@H]1CCCOc2ccc(F)cc21)[*:1]
Cc1ccc(-c2nc3n(CC(=O)N4CCCC[C@@H]4C)c(C)c(Cc4ccccc4)c(=O)n3n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc2n(CC(=O)N3CCCC[C@@H]3C)c(C)c(C[*:1])c(=O)n2n1
Cc1ccc(-c2nc3n(CC(=O)N4CCCC[C@@H]4C)c(C)c(Cc4ccccc4)c(=O)n3n2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1nc2n(CC(=O)N3CCCC[C@@H]3C)c(C)c(c(=O)n2n1)[*:1]
Cc1ccc(-c2nc3n(CC(=O)N4CCCC[C@@H]4C)c(C)c(Cc4ccccc4)c(=O)n3n2)cc1 Cc1ccc(cc1)[*:1] Cc1c(Cc2ccccc2)c(=O)n2nc(nc2n1CC(=O)N1CCCC[C@@H]1C)[*:1]
CCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cn1 CCC[*:1] O=C(C[*:1])Nc1ccc(cn1)NC(=O)c1ccco1
CCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cn1 CCCCC(=O)N[*:1] O=C(Nc1ccc(nc1)[*:1])c1ccco1
CCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cn1 CCCC[*:1] O=C(Nc1ccc(nc1)NC(=O)[*:1])c1ccco1
CCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cn1 c1coc(c1)[*:1] CCCCC(=O)Nc1ccc(cn1)NC(=O)[*:1]
CCc1nn(C)c(N2CCC[C@H](Nc3ccccc3)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(c1[*:1])N1CCC[C@@H](C1)Nc1ccccc1
CCc1nn(C)c(N2CCC[C@H](Nc3ccccc3)C2)c1[N+](=O)[O-] c1ccc(cc1)N[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N1CCC[C@H](C1)[*:1]
CCc1nn(C)c(N2CCC[C@H](Nc3ccccc3)C2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N1CCC[C@@H](C1)N[*:1]
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)c2ccccc21 O=C([O-])[*:1] O=S(=O)(c1ccc(Cl)nc1)N1C[C@@H](c2ccccc21)[*:1]
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)c2ccccc21 Clc1ccc(cn1)[*:1] O=C([O-])[C@H]1CN(c2ccccc21)S(=O)(=O)[*:1]
Cc1ccc(OCCNC(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1 CS(=O)(=O)C[*:1] Cc1ccc(cc1)OCCNC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(OCCNC(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)Cc1cccc(c1)NC(=O)NCCO[*:1]
Cc1ccc(OCCNC(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1 Cc1ccc(cc1)O[*:1] CS(=O)(=O)Cc1cccc(c1)NC(=O)NCC[*:1]
Cc1ccc(OCCNC(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)OCCNC(=O)Nc1cccc(c1)C[*:1]
Cc1cnc([C@@H](C)NC(=O)c2cnc([C@@H]3CCCO3)s2)s1 C1CO[C@@H](C1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)c1cnc(s1)[*:1]
Cc1cnc([C@@H](C)NC(=O)c2cnc([C@@H]3CCCO3)s2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
O[C@]1(C(F)(F)F)C[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)NO1 FC(F)(F)[*:1] O[C@@]1(C[C@H](NO1)c1c([nH]c2ccccc12)-c1ccccc1)[*:1]
O[C@]1(C(F)(F)F)C[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)NO1 c1ccc(cc1)[*:1] O[C@@]1(C[C@H](NO1)c1c([nH]c2ccccc12)[*:1])C(F)(F)F
Nc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1N c1ccc(cc1)C[*:1] Nc1ncnc(c1N)N(Cc1ccccc1)[*:1]
Nc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1N c1ccc(cc1)[*:1] Nc1ncnc(c1N)N(Cc1ccccc1)C[*:1]
COc1ccc(CN2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(CN2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)CN1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
COc1ccc(CN2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)C[*:1]
COc1ccc(CN2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CN1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
COc1ccc(OC)c(NCc2ccc(C(C)C)cc2)c1 CC(C)[*:1] COc1ccc(OC)c(c1)NCc1ccc(cc1)[*:1]
CCOc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])[C@@H](C)[NH2+][C@H]1CCO[C@]2(CCSC2)C1
CCOc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] CCO[*:1] C[C@@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1ccc(N2CC[C@H](Nc3cccc(-c4nnnn4C)c3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cn1nnnc1-c1cccc(c1)N[C@H]1CCN(C1=O)[*:1]
Cc1ccc(N2CC[C@H](Nc3cccc(-c4nnnn4C)c3)C2=O)cc1 Cn1nnnc1[*:1] Cc1ccc(cc1)N1CC[C@H](Nc2cccc(c2)[*:1])C1=O
C[C@@H](Nc1ccc(Br)cc1)c1nnc(-c2cccs2)o1 c1csc(c1)[*:1] C[C@@H](Nc1ccc(Br)cc1)c1nnc(o1)[*:1]
CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 C1CC1[*:1] CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H](c1nc(C)cs1)[*:1]
CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 Cc1csc(n1)[*:1] CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H](C1CC1)[*:1]
CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])N(C)C(=O)N[C@@H](c1nc(C)cs1)C1CC1
CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 c1ccc(cc1)C[*:1] CC[C@@H](N(C)C(=O)N[C@@H](c1nc(C)cs1)C1CC1)[*:1]
O=C(CNc1ccc(SC(F)F)cc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(CNc1ccc(cc1)SC(F)F)N1N=C(C[C@H]1c1ccco1)[*:1]
O=C(CNc1ccc(SC(F)F)cc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(CNc1ccc(cc1)SC(F)F)N1N=C(C[C@@H]1[*:1])c1ccco1
O=C(CNc1ccc(SC(F)F)cc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 FC(F)S[*:1] O=C(CNc1ccc(cc1)[*:1])N1N=C(C[C@H]1c1ccco1)c1ccco1
O=C(CNc1ccc(SC(F)F)cc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 FC(F)[*:1] O=C(CNc1ccc(cc1)S[*:1])N1N=C(C[C@H]1c1ccco1)c1ccco1
CCOC[C@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 N#CCO[*:1] CCOC[C@H]1CCN(C1)C(=O)/C=C/c1ccc(cc1)[*:1]
CCOC[C@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 N#CC[*:1] CCOC[C@H]1CCN(C1)C(=O)/C=C/c1ccc(cc1)O[*:1]
CCOC[C@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 CCO[*:1] N#CCOc1ccc(/C=C/C(=O)N2CC[C@@H](C2)C[*:1])cc1
CCOC[C@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 CCOC[*:1] N#CCOc1ccc(/C=C/C(=O)N2CC[C@@H](C2)[*:1])cc1
C#CCOc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] C#CCOc1ccc(cc1)C[NH+]1CCC(CC1)NC(=O)N[*:1]
C#CCOc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 C#CCO[*:1] O=C(Nc1ccc(F)cc1)NC1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
C#CCOc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 C#CC[*:1] O=C(Nc1ccc(F)cc1)NC1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
Cc1ccc(CC(=O)N2CCN(CC(C)(C)O)CC2)cn1 Cc1ccc(cn1)[*:1] CC(C)(O)CN1CCN(CC1)C(=O)C[*:1]
Cc1ccc(CC(=O)N2CCN(CC(C)(C)O)CC2)cn1 CC(C)(O)C[*:1] Cc1ccc(cn1)CC(=O)N1CCN(CC1)[*:1]
Cc1ccc(CC(=O)N2CCN(CC(C)(C)O)CC2)cn1 CC(C)(O)[*:1] Cc1ccc(cn1)CC(=O)N1CCN(CC1)C[*:1]
CN(C)C(=O)N1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
O=C(Cn1cc(-c2ccccc2)cn1)NC(=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cn1cc(cn1)-c1ccccc1)NC(=O)N[*:1]
O=C(Cn1cc(-c2ccccc2)cn1)NC(=O)NCc1ccco1 c1ccc(cc1)[*:1] O=C(Cn1cc(cn1)[*:1])NC(=O)NCc1ccco1
O=C(Cn1cc(-c2ccccc2)cn1)NC(=O)NCc1ccco1 c1coc(c1)[*:1] O=C(Cn1cc(cn1)-c1ccccc1)NC(=O)NC[*:1]
COc1cccc(C(=O)Nc2nonc2-c2cccs2)c1 c1csc(c1)[*:1] COc1cccc(c1)C(=O)Nc1nonc1[*:1]
Cc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)o1 Cc1ccc(o1)[*:1] N#CC(=C[*:1])c1nc(cs1)-c1cc2ccccc2oc1=O
Cc1nc2ccccn2c1C(=O)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 c1ccc(C[*:1])nc1 Cc1nc2ccccn2c1C(=O)N(c1nc2c(F)cc(F)cc2s1)[*:1]
Cc1nc2ccccn2c1C(=O)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 Cc1nc2ccccn2c1[*:1] O=C(N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1)[*:1]
Cc1nc2ccccn2c1C(=O)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 c1ccc(nc1)[*:1] Cc1nc2ccccn2c1C(=O)N(C[*:1])c1nc2c(F)cc(F)cc2s1
O=C(Nc1cccc(Cl)c1)c1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 Clc1cccc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)/N=C1\N[C@@H]2CS(=O)(=O)C[C@H]2S1
CSC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 FC(F)[*:1] CSC[C@@H](C)NC(=O)c1ccc(cc1)CS(=O)(=O)[*:1]
CSC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 CSC[C@@H](C)[*:1] O=C(N[*:1])c1ccc(cc1)CS(=O)(=O)C(F)F
CSC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] CSC[C@@H](C)NC(=O)c1ccc(cc1)C[*:1]
CSC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 CSC[*:1] C[C@@H](NC(=O)c1ccc(cc1)CS(=O)(=O)C(F)F)[*:1]
CSC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 O=S(=O)(C[*:1])C(F)F CSC[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
C[C@@H](C(N)=O)N1CCN(Cc2c(Cl)nc3ccccn23)CC1 C[C@@H](C(N)=O)[*:1] Clc1nc2ccccn2c1CN1CCN(CC1)[*:1]
C[C@@H](C(N)=O)N1CCN(Cc2c(Cl)nc3ccccn23)CC1 NC(=O)[*:1] C[C@@H](N1CCN(CC1)Cc1c(Cl)nc2ccccn12)[*:1]
C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 Fc1cccc(c1)[*:1] C[C@H](C(=O)N[*:1])N1CC[NH+](CC1)C[C@@H]1CC=CCC1
Cc1ccnc(SCC(=O)N2CCCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)n1 Cc1ccnc(n1)[*:1] CC(C)n1c(cc(=O)n(c1=O)C(C)C)N1CCCN(CC1)C(=O)CS[*:1]
Cc1ccnc(SCC(=O)N2CCCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)n1 CC(C)[*:1] Cc1ccnc(n1)SCC(=O)N1CCCN(CC1)c1cc(=O)n(c(=O)n1C(C)C)[*:1]
Cc1ccnc(SCC(=O)N2CCCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)n1 Cc1ccnc(n1)S[*:1] CC(C)n1c(cc(=O)n(c1=O)C(C)C)N1CCCN(CC1)C(=O)C[*:1]
Cc1ccnc(SCC(=O)N2CCCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)n1 CC(C)[*:1] Cc1ccnc(n1)SCC(=O)N1CCCN(CC1)c1cc(=O)n(c(=O)n1[*:1])C(C)C
Cc1ccnc(SCC(=O)N2CCCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)n1 Cc1ccnc(n1)SC[*:1] CC(C)n1c(cc(=O)n(c1=O)C(C)C)N1CCCN(CC1)C(=O)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(c2c(C#N)cnc3ccccc23)C1 COC(=O)C(C)(C)[*:1] N#Cc1cnc2ccccc2c1N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(c2c(C#N)cnc3ccccc23)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)c1c(C#N)cnc2ccccc12)[*:1]
O=C(Cc1csc(-c2ccccc2Cl)n1)NCCc1cccs1 c1csc(c1)[*:1] O=C(Cc1csc(n1)-c1ccccc1Cl)NCC[*:1]
O=C(Cc1csc(-c2ccccc2Cl)n1)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(Cc1csc(n1)-c1ccccc1Cl)N[*:1]
O=C(Cc1csc(-c2ccccc2Cl)n1)NCCc1cccs1 Clc1ccccc1[*:1] O=C(Cc1csc(n1)[*:1])NCCc1cccs1
O=C(Cc1csc(-c2ccccc2Cl)n1)NCCc1cccs1 c1csc(c1)C[*:1] O=C(Cc1csc(n1)-c1ccccc1Cl)NC[*:1]
CC[NH+]1CCN(C[C@H](C[NH3+])CC(C)C)CC1 CC(C)C[*:1] CC[NH+]1CCN(CC1)C[C@H](C[NH3+])[*:1]
CC[NH+]1CCN(C[C@H](C[NH3+])CC(C)C)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)C[C@H](C[NH3+])C[*:1]
C[C@H](O)CCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](O)CCC(=O)Nc1ccc(Br)cc1[*:1]
C[C@H](O)CCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] C[C@H](O)CC[*:1] O=C(Nc1ccc(Br)cc1[N+](=O)[O-])[*:1]
C[C@H](O)CCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] C[C@H](O)C[*:1] O=C(C[*:1])Nc1ccc(Br)cc1[N+](=O)[O-]
C[C@H](O)CCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] C[C@H](O)[*:1] O=C(CC[*:1])Nc1ccc(Br)cc1[N+](=O)[O-]
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OC(F)F)c1 c1cncc(c1)[*:1] C[C@H](NC(=O)NC[*:1])c1cccc(c1)OC(F)F
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OC(F)F)c1 c1cncc(c1)C[*:1] C[C@H](NC(=O)N[*:1])c1cccc(c1)OC(F)F
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H](NC(=O)NCc1cccnc1)c1cccc(c1)[*:1]
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H](NC(=O)NCc1cccnc1)c1cccc(c1)O[*:1]
C=CCC(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 C=CC[*:1] O=C(N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1)[*:1]
C=CCC(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 c1ccc(cc1)[*:1] C=CCC(=O)N1CCO[C@@H](CC(c2ccccc2)[*:1])C1
CC(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 CC(C)[*:1] NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC[C@@H]1CCO[C@@H]1[*:1]
CC(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CC(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(c1)[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)NC[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)NCC[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)N[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)NCCN1CCOCC1 COc1ccccc1[*:1] O=C(NCCN1CCOCC1)N1CCC[C@H]1[*:1]
CCc1cc(C(=O)OC)c(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)s1 COC(=O)[*:1] CCc1cc(c(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)s1)[*:1]
CC(C)C[C@@H](NC(=O)Cn1nc([O-])ccc1=O)C(=O)[O-] CC(C)C[*:1] O=C(Cn1nc([O-])ccc1=O)N[C@@H](C(=O)[O-])[*:1]
CC(C)C[C@@H](NC(=O)Cn1nc([O-])ccc1=O)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](NC(=O)Cn1nc([O-])ccc1=O)[*:1]
CC(C)C[C@@H](NC(=O)Cn1nc([O-])ccc1=O)C(=O)[O-] CC(C)[*:1] O=C(Cn1nc([O-])ccc1=O)N[C@H](C[*:1])C(=O)[O-]
O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 Fc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H](c1ccccc1)N1CCN(CC1)C(=O)c1ccco1
O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 O=C(Nc1ccc(F)cc1)[*:1] O=C(c1ccco1)N1CCN(CC1)[C@H](c1ccccc1)[*:1]
O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)[C@@H](N1CCN(CC1)C(=O)c1ccco1)[*:1]
CCC[NH2+][C@H]1[C@H](CN2CCCOCC2)CCC1(C)C CCC[*:1] CC1(C)CC[C@@H](CN2CCCOCC2)[C@@H]1[NH2+][*:1]
C[C@@H]1NC(C(=O)N2CC[C@H](C)[C@@H](O)C2)=NN(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H]1NC(=NN(C1=O)[*:1])C(=O)N1CC[C@H](C)[C@@H](O)C1
COCc1cc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)no1 Fc1ccc(cc1)[*:1] COCc1cc(no1)C(=O)Nc1nc(C)c(C[*:1])s1
COCc1cc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)no1 COCc1cc(no1)[*:1] Cc1nc(NC(=O)[*:1])sc1Cc1ccc(F)cc1
COCc1cc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)no1 Fc1ccc(cc1)C[*:1] COCc1cc(no1)C(=O)Nc1nc(C)c(s1)[*:1]
COCc1cc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)no1 COC[*:1] Cc1nc(NC(=O)c2cc(on2)[*:1])sc1Cc1ccc(F)cc1
CCCN1C(N)=[NH+]C[C@H]1c1cncn1CC CCC[*:1] CCn1cncc1[C@@H]1C[NH+]=C(N)N1[*:1]
CN(Cc1csc(-c2ncccn2)n1)c1ccc(F)cc1 c1cnc(nc1)[*:1] CN(Cc1csc(n1)[*:1])c1ccc(F)cc1
CN(Cc1csc(-c2ncccn2)n1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1csc(n1)-c1ncccn1)[*:1]
Cc1ccc(CC(=O)NC[C@@H](C)Cn2cccn2)cc1O c1cnn(c1)[*:1] Cc1ccc(cc1O)CC(=O)NC[C@@H](C)C[*:1]
Cc1ccc(CC(=O)NC[C@@H](C)Cn2cccn2)cc1O c1cnn(c1)C[*:1] Cc1ccc(cc1O)CC(=O)NC[C@@H](C)[*:1]
Fc1ccc(-c2cc(-c3nnc4sc(-c5ccccc5)nn34)[nH]n2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)-c1cc([nH]n1)-c1nnc2sc(nn12)[*:1]
Fc1ccc(-c2cc(-c3nnc4sc(-c5ccccc5)nn34)[nH]n2)cc1 Fc1ccc(cc1)[*:1] c1ccc(cc1)-c1nn2c(nnc2s1)-c1cc(n[nH]1)[*:1]
C[C@H](Cl)c1nnc(C2(C)CCCC2)s1 C[C@H](Cl)[*:1] CC1(CCCC1)c1nnc(s1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)NCCc1c(Cl)cccc1Cl Cc1noc(C)c1[*:1] C[C@H](NC(=O)NCCc1c(Cl)cccc1Cl)[*:1]
C[C@]1(c2ccccc2)CN(C(=O)NCc2cccc(OCC(F)F)n2)CCO1 c1ccc(cc1)[*:1] C[C@@]1(CN(CCO1)C(=O)NCc1cccc(n1)OCC(F)F)[*:1]
C[C@]1(c2ccccc2)CN(C(=O)NCc2cccc(OCC(F)F)n2)CCO1 FC(F)C[*:1] C[C@@]1(CN(CCO1)C(=O)NCc1cccc(n1)O[*:1])c1ccccc1
C[C@]1(c2ccccc2)CN(C(=O)NCc2cccc(OCC(F)F)n2)CCO1 FC(F)CO[*:1] C[C@@]1(CN(CCO1)C(=O)NCc1cccc(n1)[*:1])c1ccccc1
C[C@]1(c2ccccc2)CN(C(=O)NCc2cccc(OCC(F)F)n2)CCO1 FC(F)[*:1] C[C@@]1(CN(CCO1)C(=O)NCc1cccc(n1)OC[*:1])c1ccccc1
CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1ccc(cc1)[*:1]
COc1ccccc1NC(=O)COc1cccc(CC(N)=O)c1 NC(=O)[*:1] COc1ccccc1NC(=O)COc1cccc(c1)C[*:1]
COc1ccccc1NC(=O)COc1cccc(CC(N)=O)c1 NC(=O)C[*:1] COc1ccccc1NC(=O)COc1cccc(c1)[*:1]
C[C@H](C(=O)[O-])[C@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 O=C([O-])[*:1] C[C@@H]([C@@H](C)[*:1])[NH+]1CCN(CC1)c1ccccc1Cl
COCC[C@@H](C)C(=O)Nc1cc(F)ccc1F COCC[*:1] C[C@@H](C(=O)Nc1cc(F)ccc1F)[*:1]
COCC[C@@H](C)C(=O)Nc1cc(F)ccc1F COC[*:1] C[C@H](C[*:1])C(=O)Nc1cc(F)ccc1F
Cc1nc(COc2ccccc2/C=C/C(=O)N2CC(=O)Nc3ccccc32)cs1 Cc1nc(cs1)CO[*:1] O=C1CN(C(=O)/C=C/c2ccccc2[*:1])c2ccccc2N1
Cc1nc(COc2ccccc2/C=C/C(=O)N2CC(=O)Nc3ccccc32)cs1 Cc1nc(cs1)C[*:1] O=C1CN(C(=O)/C=C/c2ccccc2O[*:1])c2ccccc2N1
Cc1nc(COc2ccccc2/C=C/C(=O)N2CC(=O)Nc3ccccc32)cs1 Cc1nc(cs1)[*:1] O=C1CN(C(=O)/C=C/c2ccccc2OC[*:1])c2ccccc2N1
C[N+](C)(C)CCN1C(=O)C=CC1=O C[N+](C)(C)[*:1] O=C1C=CC(=O)N1CC[*:1]
O=C(Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2)c1ccco1 c1coc(c1)[*:1] O=C(Nc1nc2N=C(C[C@@H](c3c(F)cccc3Cl)n2n1)c1ccccc1)[*:1]
O=C(Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2)c1ccco1 Fc1cccc(Cl)c1[*:1] O=C(Nc1nc2N=C(C[C@@H](n2n1)[*:1])c1ccccc1)c1ccco1
O=C(Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1nc2N=C(C[C@@H](c3c(F)cccc3Cl)n2n1)[*:1])c1ccco1
O=C(Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2)c1ccco1 O=C(N[*:1])c1ccco1 Fc1cccc(Cl)c1[C@@H]1CC(=Nc2nc(nn21)[*:1])c1ccccc1
CC(=O)NCc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)s1 CC(=O)N[*:1] C[C@@H](OC(=O)c1ccc(C[*:1])s1)c1cccc(C#N)c1
CC(=O)NCc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)s1 CC(=O)NC[*:1] C[C@@H](OC(=O)c1ccc(s1)[*:1])c1cccc(C#N)c1
CC(=O)Nc1cc(NC(=O)/C=C/c2ccc(-n3ccnc3)cc2)ccc1C c1cn(cn1)[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)/C=C/c1ccc(cc1)[*:1]
CC(=O)Nc1cc(NC(=O)/C=C/c2ccc(-n3ccnc3)cc2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)/C=C/c1ccc(cc1)-n1ccnc1
Cc1cc(-c2nnc(CN3CC[NH+](CC4CCCCC4)CC3)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] C1CCC(CC1)C[NH+]1CCN(CC1)Cc1nnc(o1)[*:1]
Cc1cc(-c2nnc(CN3CC[NH+](CC4CCCCC4)CC3)o2)c(C)o1 C1CCC(CC1)C[*:1] Cc1cc(-c2nnc(CN3CC[NH+](CC3)[*:1])o2)c(C)o1
Cc1cc(-c2nnc(CN3CC[NH+](CC4CCCCC4)CC3)o2)c(C)o1 C1CCC(CC1)[*:1] Cc1cc(-c2nnc(CN3CC[NH+](CC3)C[*:1])o2)c(C)o1
C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCc1nncn1C Cn1cnnc1[*:1] C[C@@H]1CN(C(=O)CN1C(=O)CC[*:1])c1cccc(Cl)c1
C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCc1nncn1C Cn1cnnc1CC[*:1] C[C@@H]1CN(C(=O)CN1C(=O)[*:1])c1cccc(Cl)c1
C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCc1nncn1C Cn1cnnc1C[*:1] C[C@@H]1CN(C(=O)CN1C(=O)C[*:1])c1cccc(Cl)c1
C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCc1nncn1C Clc1cccc(c1)[*:1] C[C@@H]1CN(C(=O)CN1C(=O)CCc1nncn1C)[*:1]
CC(C)C1(CNc2cnccc2C#N)CC1 CC(C)[*:1] N#Cc1ccncc1NCC1(CC1)[*:1]
CO[C@@H](C)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(C)C)c1 CO[C@@H](C)[*:1] CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1cccc(c1)[*:1]
CO[C@@H](C)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(C)C)c1 CC(C)[*:1] CO[C@@H](C)c1cccc(c1)NC(=O)C(=O)NC[C@@](C)(O)[*:1]
CCCNC(=O)C1CC[NH+](Cc2nnc(-c3cccs3)o2)CC1 CCCNC(=O)[*:1] c1csc(c1)-c1nnc(C[NH+]2CCC(CC2)[*:1])o1
CCCNC(=O)C1CC[NH+](Cc2nnc(-c3cccs3)o2)CC1 c1csc(c1)[*:1] CCCNC(=O)C1CC[NH+](CC1)Cc1nnc(o1)[*:1]
CCCNC(=O)C1CC[NH+](Cc2nnc(-c3cccs3)o2)CC1 CCC[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1nnc(o1)-c1cccs1
Cc1sc2ncnc(SCC(=O)N[C@H](C)c3ccc(F)cc3)c2c1C Fc1ccc(cc1)[*:1] Cc1sc2ncnc(SCC(=O)N[C@H](C)[*:1])c2c1C
COC(=O)CSCCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 COC(=O)CS[*:1] O=C(CC[*:1])N1CCC[C@@H]1c1cccc(Cl)c1
COC(=O)CSCCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 COC(=O)C[*:1] O=C(CCS[*:1])N1CCC[C@@H]1c1cccc(Cl)c1
COC(=O)CSCCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 COC(=O)CSC[*:1] O=C(C[*:1])N1CCC[C@@H]1c1cccc(Cl)c1
COC(=O)CSCCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)CSCCC(=O)N1CCC[C@H]1[*:1]
COC(=O)CSCCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 COC(=O)[*:1] O=C(CCSC[*:1])N1CCC[C@@H]1c1cccc(Cl)c1
Cc1cc2cc(C(=O)NNC(=O)c3ccc(Cl)nc3)oc2cc1C Clc1ccc(cn1)[*:1] Cc1cc2cc(oc2cc1C)C(=O)NNC(=O)[*:1]
CSc1ccc([C@@H](O)c2cc[nH]c2)cc1 c1cc(c[nH]1)[*:1] CSc1ccc(cc1)[C@@H](O)[*:1]
CCN(CC)c1ccc(CNc2ccc3cc(C#N)ccc3n2)c[nH+]1 CCN(CC)[*:1] N#Cc1ccc2nc(ccc2c1)NCc1ccc([nH+]c1)[*:1]
CCc1n[nH]c([C@@H]2CN(Cc3cccc4c3OCCO4)CCO2)n1 CCc1n[nH]c(n1)[*:1] c1cc(CN2CCO[C@@H](C2)[*:1])c2OCCOc2c1
N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@H]1c1cc2c(cc1Br)OCO2 c1cc(ccn1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@H]1c1cc2OCOc2cc1Br)[*:1]
CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C Cc1ccc(cc1)[*:1] CC(=O)c1ccccc1NC(=O)CSc1nnc(n1C)[*:1]
CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C CC(=O)[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccccc2[*:1])n1C
CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C CC(=O)c1ccccc1[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N[*:1])n1C
COc1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)c(C)c1 Fc1ccccc1[*:1] COc1ccc(NC(=O)[C@@H](C)C[*:1])c(C)c1
C[C@@H](c1ccccn1)[C@@H]([NH3+])c1ccc(F)cc1F c1ccc(nc1)[*:1] C[C@@H]([C@@H]([NH3+])c1ccc(F)cc1F)[*:1]
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)C[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC[*:1]
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCC[*:1]
CCc1cccc(C)c1NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 CCc1cccc(C)c1[*:1] O=C(N[*:1])[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
CCc1cccc(C)c1NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 c1cc(c2nsnc2c1)[*:1] CCc1cccc(C)c1NC(=O)[C@@H](NS(=O)(=O)[*:1])c1ccccc1
CCc1cccc(C)c1NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 c1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)[*:1]
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 FC(F)(F)[*:1] CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(s1)-c1cc(on1)[*:1]
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 FC(F)(F)c1cc(no1)[*:1] CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(s1)[*:1]
CCc1noc(CC)c1CC(=O)N1CCCC[C@@H]1C(C)C CC(C)[*:1] CCc1noc(CC)c1CC(=O)N1CCCC[C@H]1[*:1]
CC(C)(C)C1=C2C(=NC(N)=C(C#N)[C@@H]2c2cccnc2)ON1 CC(C)(C)[*:1] N#CC1=C(N)N=C2ONC(=C2[C@H]1c1cccnc1)[*:1]
CC(C)(C)C1=C2C(=NC(N)=C(C#N)[C@@H]2c2cccnc2)ON1 c1cncc(c1)[*:1] CC(C)(C)C1NOC2=NC(N)=C(C#N)[C@H](C=12)[*:1]
CCCCc1oc2c(c(=O)c1C)C(=O)C[C@@H](c1ccccc1)C2 CCC[*:1] Cc1c(C[*:1])oc2C[C@@H](CC(=O)c2c1=O)c1ccccc1
CCCCc1oc2c(c(=O)c1C)C(=O)C[C@@H](c1ccccc1)C2 CCCC[*:1] Cc1c(oc2C[C@@H](CC(=O)c2c1=O)c1ccccc1)[*:1]
CCCCc1oc2c(c(=O)c1C)C(=O)C[C@@H](c1ccccc1)C2 c1ccc(cc1)[*:1] CCCCc1oc2C[C@H](CC(=O)c2c(=O)c1C)[*:1]
O=C(NCC(=O)N1CCCC1)[C@@H]1C[C@H]1c1cccc2ccccc12 O=C(N1CCCC1)[*:1] O=C(NC[*:1])[C@@H]1C[C@H]1c1cccc2ccccc12
O=C(NCC(=O)N1CCCC1)[C@@H]1C[C@H]1c1cccc2ccccc12 O=C(C[*:1])N1CCCC1 O=C(N[*:1])[C@@H]1C[C@H]1c1cccc2ccccc12
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nccs1 c1csc(n1)[*:1] COc1ccc(cc1C(=O)N[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nccs1 O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)Nc1nccs1)[*:1]
CNC(=O)CSc1nncn1-c1ccccc1C CNC(=O)CS[*:1] Cc1ccccc1-n1cnnc1[*:1]
CNC(=O)CSc1nncn1-c1ccccc1C CNC(=O)[*:1] Cc1ccccc1-n1cnnc1SC[*:1]
CNC(=O)CSc1nncn1-c1ccccc1C CNC(=O)C[*:1] Cc1ccccc1-n1cnnc1S[*:1]
Cc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O Cc1ccccc1[*:1] C[C@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)N[*:1]
C[C@@H](Sc1n[nH]c(=O)n1C)C(=O)NCc1ccc2c(c1)OCO2 Cn1c(n[nH]c1=O)[*:1] C[C@@H](S[*:1])C(=O)NCc1ccc2OCOc2c1
CCCCO[C@@H](C)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C CCC[*:1] C[C@H](OC[*:1])C(=O)N1C[C@@H](CC[C@@H]1C)C(N)=O
CCCCO[C@@H](C)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C CCCCO[*:1] C[C@H]1CC[C@H](CN1C(=O)[C@H](C)[*:1])C(N)=O
CCCCO[C@@H](C)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C CCCC[*:1] C[C@H](O[*:1])C(=O)N1C[C@@H](CC[C@@H]1C)C(N)=O
CCCCO[C@@H](C)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C NC(=O)[*:1] CCCCO[C@@H](C)C(=O)N1C[C@H](CC[C@@H]1C)[*:1]
Cc1cccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)c1 Cc1cccc(c1)[*:1] O=C(c1ccc(cc1F)[N+](=O)[O-])N1CC=C(CC1)[*:1]
Cc1cccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)c1ccc(cc1F)[*:1]
O=CCCCc1nc(-c2ccccc2)cs1 O=CCC[*:1] c1ccc(cc1)-c1csc(C[*:1])n1
O=CCCCc1nc(-c2ccccc2)cs1 O=CCCC[*:1] c1ccc(cc1)-c1csc(n1)[*:1]
O=CCCCc1nc(-c2ccccc2)cs1 O=CC[*:1] c1ccc(cc1)-c1csc(CC[*:1])n1
Cc1ccsc1C[NH+](C)CCNC(=O)C(C)C CC(C)[*:1] Cc1ccsc1C[NH+](C)CCNC(=O)[*:1]
CC(=O)Nc1ccc(C(=O)N2CCC(Cn3cc[nH+]c3)CC2)cc1 CC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)Cn1cc[nH+]c1
Cc1nc2cc(NC(=O)C(=O)N[C@@H]3CCC[C@H]3CCC(C)C)ccc2o1 CC(C)C[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@@H]1CCC[C@H]1C[*:1]
Cc1nc2cc(NC(=O)C(=O)N[C@@H]3CCC[C@H]3CCC(C)C)ccc2o1 CC(C)CC[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1[*:1]
Cc1nc2cc(NC(=O)C(=O)N[C@@H]3CCC[C@H]3CCC(C)C)ccc2o1 CC(C)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@@H]1CCC[C@H]1CC[*:1]
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cc4c(s3)CCCCC4)C2=O)c1 COc1cccc(c1)[*:1] C[C@]1(NC(=O)N(NC(=O)c2cc3CCCCCc3s2)C1=O)[*:1]
CSc1ccc(/C=C(/C)C[NH2+]CC(C)C)cc1 CC(C)C[*:1] CSc1ccc(/C=C(/C)C[NH2+][*:1])cc1
CSc1ccc(/C=C(/C)C[NH2+]CC(C)C)cc1 CC(C)[*:1] CSc1ccc(/C=C(/C)C[NH2+]C[*:1])cc1
Cc1noc2ncc(C(=O)N3CCN(C(C)C)CC3)cc12 CC(C)[*:1] Cc1noc2ncc(cc12)C(=O)N1CCN(CC1)[*:1]
C[S@@](=O)CCCNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C[S@@](=O)CC[*:1] O=C(NC[*:1])N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
C[S@@](=O)CCCNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C[S@@](=O)C[*:1] O=C(NCC[*:1])N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
C[S@@](=O)CCCNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C[S@@](=O)[*:1] O=C(NCCC[*:1])N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
C[S@@](=O)CCCNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C[S@@](=O)CCC[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc2OCOc2c1)c1nnc(s1)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)c1 c1cc2OCOc2cc1[*:1] Cc1cccc(c1)S(=O)(=O)N1CCC[C@@H]1c1nnc(s1)C(=O)N[*:1]
Cc1cccn2c(=O)c(C(=O)Nc3ccc(CCO)cc3)cnc12 OCC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)Nc1ccc(cc1)[*:1]
C#CCNc1cc(OC)c(Cl)cc1OC C#CCN[*:1] COc1cc(c(cc1Cl)OC)[*:1]
C#CCNc1cc(OC)c(Cl)cc1OC C#CC[*:1] COc1cc(N[*:1])c(cc1Cl)OC
O=C(NCc1ccc(=O)[nH]c1)c1cccc(OCC(F)F)n1 O=c1ccc(c[nH]1)[*:1] O=C(NC[*:1])c1cccc(n1)OCC(F)F
O=C(NCc1ccc(=O)[nH]c1)c1cccc(OCC(F)F)n1 FC(F)[*:1] O=C(NCc1ccc(=O)[nH]c1)c1cccc(n1)OC[*:1]
O=C(NCc1ccc(=O)[nH]c1)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] O=C(NCc1ccc(=O)[nH]c1)c1cccc(n1)[*:1]
O=C(NCc1ccc(=O)[nH]c1)c1cccc(OCC(F)F)n1 FC(F)C[*:1] O=C(NCc1ccc(=O)[nH]c1)c1cccc(n1)O[*:1]
CCOc1ccccc1OC(=O)c1cc(Cl)c(OC)c(OC)c1 CCO[*:1] COc1cc(cc(Cl)c1OC)C(=O)Oc1ccccc1[*:1]
CCN(C)c1cccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 c1cncc(c1)O[*:1] CCN(C)c1cccc(c1)NC(=O)N1CC[C@H](C1)[*:1]
CCN(C)c1cccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 c1cncc(c1)[*:1] CCN(C)c1cccc(c1)NC(=O)N1CC[C@@H](C1)O[*:1]
CCN(C)c1cccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 CCN(C)[*:1] O=C(Nc1cccc(c1)[*:1])N1CC[C@@H](C1)Oc1cccnc1
CCOc1cccc(NC(=O)NCCNC(=O)c2ccccc2Cl)c1 Clc1ccccc1[*:1] CCOc1cccc(c1)NC(=O)NCCNC(=O)[*:1]
CCOc1cccc(NC(=O)NCCNC(=O)c2ccccc2Cl)c1 CCO[*:1] O=C(NCCNC(=O)c1ccccc1Cl)Nc1cccc(c1)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccco1 Fc1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](N1Cc1ccco1)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccco1 c1coc(c1)C[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccco1 c1coc(c1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[*:1]
COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 COC[C@H](C)[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)N[*:1]
COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 CC(=O)N[*:1] COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(c1)[*:1]
COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 COC[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)N[C@@H](C)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)CC(C)(C)C CC(C)(C)[*:1] COc1ccc(cc1NC(=O)C[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)CC(C)(C)C CC(=O)N[*:1] COc1ccc(cc1NC(=O)CC(C)(C)C)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)CC(C)(C)C CC(C)(C)C[*:1] COc1ccc(cc1NC(=O)[*:1])NC(C)=O
C[C@@H](O)C[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O C[C@@H](O)[*:1] C[C@@H](CNC(=O)N[C@@H]1CCN(C1=O)c1ccc(Cl)cc1)C[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O C[C@@H](O)C[*:1] C[C@@H](CNC(=O)N[C@@H]1CCN(C1=O)c1ccc(Cl)cc1)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)N[C@@H]1CCN(C1=O)[*:1]
CC(=O)N(C)c1ccc(NC(=O)Cc2ccc(C)c(O)c2)cc1 CC(=O)N(C)[*:1] Cc1ccc(cc1O)CC(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnn1CC)CC2 CCn1nccc1[*:1] CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnn1CC)CC2 CC[C@@H](C)[*:1] CCn1nccc1C(=O)N1CCc2nc([nH]c(=O)c2C1)[C@H]1CCCN1C(=O)[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1cc(Cl)c(NC(=O)C(F)(F)F)cc1OC COC(=O)[*:1] COc1cc(NC(=O)C(F)(F)F)c(Cl)cc1[*:1]
COC(=O)c1cc(Cl)c(NC(=O)C(F)(F)F)cc1OC FC(F)(F)[*:1] COC(=O)c1cc(Cl)c(cc1OC)NC(=O)[*:1]
CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccccc2OC)C1 Fc1ccc(C[*:1])c(F)c1 CCOC(=O)[C@@]1(CCCN(C1)C(=O)c1ccccc1OC)[*:1]
CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccccc2OC)C1 CCOC(=O)[*:1] COc1ccccc1C(=O)N1CCC[C@@](Cc2ccc(F)cc2F)(C1)[*:1]
CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccccc2OC)C1 COc1ccccc1[*:1] CCOC(=O)[C@@]1(CCCN(C1)C(=O)[*:1])Cc1ccc(F)cc1F
CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccccc2OC)C1 Fc1ccc(c(F)c1)[*:1] CCOC(=O)[C@@]1(CCCN(C1)C(=O)c1ccccc1OC)C[*:1]
C[C@@]1(CNC(=O)C2(C[NH3+])CCCCC2)CCCO1 C[C@]1(CCCO1)[*:1] [NH3+]CC1(CCCCC1)C(=O)NC[*:1]
Cc1ncc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)s1 c1ccc(cc1)C[*:1] Cc1ncc(s1)[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2[*:1]
Cc1ncc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)s1 Cc1ncc(s1)[*:1] C[C@@H]([NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1)[*:1]
Cc1ncc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ncc(s1)[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2C[*:1]
C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 Fc1ccc(c(F)c1)[*:1] C[C@H](N1CC[NH+](CC1)Cc1ccc(cc1)C(N)=O)[*:1]
C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 NC(=O)[*:1] C[C@H](c1ccc(F)cc1F)N1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
COc1ccccc1-n1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccccn1 COc1ccccc1[*:1] O=C(CSc1nnc(-c2ccccn2)n1[*:1])N1CCc2ccccc21
COc1ccccc1-n1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1-n1c(nnc1[*:1])SCC(=O)N1CCc2ccccc21
Cc1cccc(C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 Cc1cccc(C)c1[*:1] O=C(N[*:1])c1ccc(cc1)[C@@H]1SCC(=O)N1CCc1ccccc1
Cc1cccc(C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)c1ccc(cc1)[C@@H]1SCC(=O)N1CC[*:1]
Cc1cccc(C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1cccc(C)c1NC(=O)c1ccc(cc1)[C@@H]1SCC(=O)N1C[*:1]
Cc1cccc(C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] Cc1cccc(C)c1NC(=O)c1ccc(cc1)[C@@H]1SCC(=O)N1[*:1]
C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(F)cn1 C1CO[C@@H](C1)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1ccc(F)cn1
C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)c1nc(Cl)ccc1Cl)[*:1]
C[C@H](SCC(=O)N[C@H]1CCC[C@@H](C)C1)c1nc2ccccc2[nH]1 C[C@@H]1CCC[C@@H](C1)[*:1] C[C@H](SCC(=O)N[*:1])c1nc2ccccc2[nH]1
Cc1ccn2cc(C(=O)N3CCN(CCc4ccccc4)CC3)nc2c1 c1ccc(cc1)CC[*:1] Cc1ccn2cc(nc2c1)C(=O)N1CCN(CC1)[*:1]
Cc1ccn2cc(C(=O)N3CCN(CCc4ccccc4)CC3)nc2c1 c1ccc(cc1)C[*:1] Cc1ccn2cc(nc2c1)C(=O)N1CCN(CC1)C[*:1]
Cc1ccn2cc(C(=O)N3CCN(CCc4ccccc4)CC3)nc2c1 c1ccc(cc1)[*:1] Cc1ccn2cc(nc2c1)C(=O)N1CCN(CC1)CC[*:1]
Cc1ccc(CNC(=O)C(=O)Nc2ccccc2Cl)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)CNC(=O)C(=O)N[*:1]
Cc1ccc(CNC(=O)C(=O)Nc2ccccc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1Cl
COc1ccc([C@@H]2CCCN2C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cc1 FC(F)(F)c1ccc(nc1)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)c1cnn(c1C)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(cn2)[*:1])c1C
COc1ccc([C@@H]2CCCN2C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(cnn1-c1ccc(cn1)C(F)(F)F)C(=O)N1CCC[C@H]1[*:1]
O=C(c1cc(Cl)ccc1Cl)N(CC1=CC2=CC=N[C@@H]2C=C1)C1CC1 C1CC1[*:1] O=C(c1cc(Cl)ccc1Cl)N(CC1C=C[C@H]2N=CC=C2C=1)[*:1]
O=C(c1cc(Cl)ccc1Cl)N(CC1=CC2=CC=N[C@@H]2C=C1)C1CC1 Clc1ccc(Cl)c(c1)[*:1] O=C(N(CC1C=C[C@H]2N=CC=C2C=1)C1CC1)[*:1]
CSCC[C@@H](C)NC(=O)NCC[C@@H](C)O CSCC[*:1] C[C@@H](O)CCNC(=O)N[C@H](C)[*:1]
CSCC[C@@H](C)NC(=O)NCC[C@@H](C)O C[C@@H](O)C[*:1] CSCC[C@@H](C)NC(=O)NC[*:1]
CSCC[C@@H](C)NC(=O)NCC[C@@H](C)O C[C@@H](O)[*:1] CSCC[C@@H](C)NC(=O)NCC[*:1]
CSCC[C@@H](C)NC(=O)NCC[C@@H](C)O C[C@@H](O)CC[*:1] CSCC[C@@H](C)NC(=O)N[*:1]
CSCC[C@@H](C)NC(=O)NCC[C@@H](C)O CSC[*:1] C[C@@H](O)CCNC(=O)N[C@H](C)C[*:1]
Cc1csc([C@@H](NC(=O)N2c3ccccc3C[C@H]2C)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)N1c2ccccc2C[C@H]1C)[*:1]
Cc1csc([C@@H](NC(=O)N2c3ccccc3C[C@H]2C)C2CC2)n1 Cc1csc(n1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)N[C@@H](C1CC1)[*:1]
CC1CCC(NC(=O)NC2C(C)(C)C2(C)C)(C(=O)[O-])CC1 CC1(C)C(C1(C)C)[*:1] CC1CCC(CC1)(NC(=O)N[*:1])C(=O)[O-]
CC1CCC(NC(=O)NC2C(C)(C)C2(C)C)(C(=O)[O-])CC1 O=C([O-])[*:1] CC1CCC(CC1)(NC(=O)NC1C(C)(C)C1(C)C)[*:1]
CCOc1ccc([C@H]2C[C@H](c3cccc(OC)c3OC)n3ncnc3N2)cc1Cl CCO[*:1] COc1cccc(c1OC)[C@H]1C[C@@H](Nc2ncnn21)c1ccc(c(Cl)c1)[*:1]
O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1ncn[nH]1 O=C(N[*:1])c1ncn[nH]1 FC(F)(F)c1cccc(c1)Oc1ncccc1C[*:1]
O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1ncn[nH]1 FC(F)(F)[*:1] O=C(NCc1cccnc1Oc1cccc(c1)[*:1])c1ncn[nH]1
O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1ncn[nH]1 c1n[nH]c(n1)[*:1] O=C(NCc1cccnc1Oc1cccc(c1)C(F)(F)F)[*:1]
O=S1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 O=S1CCN(CC1)[*:1] c1ccc(cc1)-c1csc2ncnc(c12)[*:1]
O=S1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 c1ccc(cc1)[*:1] O=S1CCN(CC1)c1ncnc2scc(c12)[*:1]
CSc1cccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1 O=C(N[*:1])c1ccco1 CSc1cccc(c1)NC(=O)Cc1csc(n1)[*:1]
CSc1cccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1 CSc1cccc(c1)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccco1)N[*:1]
CSc1cccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1 c1coc(c1)[*:1] CSc1cccc(c1)NC(=O)Cc1csc(n1)NC(=O)[*:1]
CCn1cc(C[NH2+]Cc2ccn(C3CCCC3)n2)c(C)n1 C1CCC(C1)[*:1] CCn1cc(C[NH2+]Cc2ccn(n2)[*:1])c(C)n1
C[C@@H]1CCN(C(=O)CCCc2ccccc2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)CCC[*:1]
O=C(N[C@H](C(=O)[O-])C1CC1)c1ccncc1Cl O=C([O-])[*:1] O=C(N[C@H](C1CC1)[*:1])c1ccncc1Cl
O=C(N[C@H](C(=O)[O-])C1CC1)c1ccncc1Cl C1CC1[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1ccncc1Cl
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)O[C@H](C)c1nc2ccccc2[nH]1 Cc1nn(C)c(C)c1[*:1] C[C@H](C[*:1])C(=O)O[C@H](C)c1nc2ccccc2[nH]1
CCOC(=O)CCCNc1ncnc2ccccc12 CCOC(=O)C[*:1] c1ccc2c(ncnc2c1)NCC[*:1]
CCOC(=O)CCCNc1ncnc2ccccc12 CCOC(=O)[*:1] c1ccc2c(ncnc2c1)NCCC[*:1]
NC(=S)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1 O=[N+]([O-])[*:1] NC(=S)Nc1ccc(cc1)/N=C/c1cc(cc(Br)c1[O-])[*:1]
NC(=S)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1 NC(=S)N[*:1] O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(cc2)[*:1])c1
CCc1[nH]c(C(=O)Nc2cccc(CSC)c2)c(C)c1C(=O)OC COC(=O)[*:1] CCc1[nH]c(C(=O)Nc2cccc(c2)CSC)c(C)c1[*:1]
CCc1[nH]c(C(=O)Nc2cccc(CSC)c2)c(C)c1C(=O)OC CSC[*:1] CCc1[nH]c(C(=O)Nc2cccc(c2)[*:1])c(C)c1C(=O)OC
C[S@](=O)c1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1 C1CN(CCO1)C[*:1] C[S@](=O)c1ccc(cc1)CN1CCC[C@H](C1)[*:1]
C[S@](=O)c1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1 C[S@](=O)[*:1] c1cc(ccc1CN1CCC[C@H](CN2CCOCC2)C1)[*:1]
C[S@](=O)c1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1 C1CN(CCO1)[*:1] C[S@](=O)c1ccc(cc1)CN1CCC[C@@H](C1)C[*:1]
COC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 COC(=O)[*:1] O=C(CC[*:1])Nc1ccc(cc1)NC(=O)c1ccccc1
COC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 COC(=O)C[*:1] O=C(C[*:1])Nc1ccc(cc1)NC(=O)c1ccccc1
COC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 COC(=O)CC[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccccc1
COC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)CCC(=O)Nc1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(Nc1ccc(cc1)[*:1])c1cccc2[nH]ccc12
O=C(Nc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1cccc2[nH]ccc12
CCNC(=O)[C@@H](C)NC(=O)c1nnn[n-]1 CCNC(=O)[*:1] C[C@@H](NC(=O)c1nnn[n-]1)[*:1]
CC[NH2+][C@@H](COC(C)C)Cc1c(F)cccc1Cl CC(C)OC[*:1] CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[*:1]
CC[NH2+][C@@H](COC(C)C)Cc1c(F)cccc1Cl CC(C)O[*:1] CC[NH2+][C@H](Cc1c(F)cccc1Cl)C[*:1]
CC[NH2+][C@@H](COC(C)C)Cc1c(F)cccc1Cl CC(C)[*:1] CC[NH2+][C@@H](CO[*:1])Cc1c(F)cccc1Cl
C[C@H](Sc1ccccn1)C(=O)NC1CCCCCCC1 c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)NC1CCCCCCC1
C[C@@](N)(C(=O)N(CCO)C1CCCC1)C(F)(F)F OCC[*:1] C[C@@](N)(C(=O)N(C1CCCC1)[*:1])C(F)(F)F
C[C@@](N)(C(=O)N(CCO)C1CCCC1)C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(C(=O)N(CCO)C1CCCC1)[*:1]
C[C@@](N)(C(=O)N(CCO)C1CCCC1)C(F)(F)F C1CCC(C1)[*:1] C[C@@](N)(C(=O)N(CCO)[*:1])C(F)(F)F
O=C(Cc1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Cc1cccc(Cl)c1)Nc1ccc(cc1)O[*:1]
O=C(Cc1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(Cc1cccc(Cl)c1)Nc1ccc(cc1)[*:1]
O=C(Cc1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 Clc1cccc(c1)[*:1] O=C(C[*:1])Nc1ccc(cc1)OC(F)(F)F
Cc1ccc(-c2csc(NC(=O)CCN3C(=O)[C@@H]4CC[C@](C)(C3=O)C4(C)C)n2)cc1 Cc1ccc(cc1)[*:1] CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC(=O)Nc1nc(cs1)[*:1])C2=O
CNC(=O)NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O CNC(=O)NC(=O)[*:1] O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OC[*:1]
CN1C(=O)N(CC(=O)Nc2cccc(Cn3cncn3)c2)C(=O)C12CCCCC2 c1ncn(C[*:1])n1 CN1C(=O)N(CC(=O)Nc2cccc(c2)[*:1])C(=O)C12CCCCC2
CN1C(=O)N(CC(=O)Nc2cccc(Cn3cncn3)c2)C(=O)C12CCCCC2 c1ncn(n1)[*:1] CN1C(=O)N(CC(=O)Nc2cccc(c2)C[*:1])C(=O)C12CCCCC2
Cc1noc(C)c1COc1cccc([C@H](C)O)c1 C[C@H](O)[*:1] Cc1noc(C)c1COc1cccc(c1)[*:1]
Cc1ccc(C)c(N2C(=O)C[C@@]3(CC(C(=O)OCc4ccccc4)=NN3)C2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(OCc1ccccc1)C1C[C@@]2(CC(=O)N(C2=O)[*:1])NN=1
Cc1ccc(C)c(N2C(=O)C[C@@]3(CC(C(=O)OCc4ccccc4)=NN3)C2=O)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N1C(=O)C[C@@]2(CC(=NN2)C(=O)OC[*:1])C1=O
Cc1ccc(C)c(N2C(=O)C[C@@]3(CC(C(=O)OCc4ccccc4)=NN3)C2=O)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)N1C(=O)C[C@@]2(CC(=NN2)C(=O)O[*:1])C1=O
Cc1[nH+]ccn1CCCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 N#Cc1ccc(nc1)O[*:1] Cc1[nH+]ccn1CCCC(=O)NC1CCC(CC1)[*:1]
Cc1[nH+]ccn1CCCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 N#Cc1ccc(nc1)[*:1] Cc1[nH+]ccn1CCCC(=O)NC1CCC(CC1)O[*:1]
CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 Cc1cc(C)cc(c1)[*:1] CCc1nnc2S[C@H](C(=O)N[*:1])[C@H](Nn12)c1ccc(Cl)cc1
CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 Clc1ccc(cc1)[*:1] CCc1nnc2S[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@@H](Nn12)[*:1]
Cc1ccc(S(=O)(=O)[N-]/N=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)[N-]/N=C/C1=Cc2cc(Cl)cc(Cl)c2OC1
Cc1c(Cl)cccc1S(=O)(=O)N1CC(c2nc3ccccc3[nH]2)C1 Cc1c(Cl)cccc1[*:1] O=S(=O)(N1CC(C1)c1nc2ccccc2[nH]1)[*:1]
COc1cc(CO)cc(OC)c1OCC(N)=O NC(=O)[*:1] COc1cc(cc(OC)c1OC[*:1])CO
COc1cc(CO)cc(OC)c1OCC(N)=O NC(=O)CO[*:1] COc1cc(cc(OC)c1[*:1])CO
COc1cc(CO)cc(OC)c1OCC(N)=O NC(=O)C[*:1] COc1cc(cc(OC)c1O[*:1])CO
CNC(=O)NNC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] CNC(=O)NNC(=O)CS(=O)(=O)c1ccc(cn1)[*:1]
CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCCN(C(=O)OCC)C1)CC2 CCNS(=O)(=O)[*:1] CCOC(=O)N1CCC[C@H](C1)C(=O)N1CCc2ccc(cc21)[*:1]
C[C@H](c1ccccc1F)N(C)c1ncnc2c1cnn2C Fc1ccccc1[*:1] C[C@H](N(C)c1ncnc2c1cnn2C)[*:1]
CC[C@@H](C)CNc1cc(C)ccc1C(=O)[O-] CC[C@@H](C)[*:1] Cc1ccc(C(=O)[O-])c(c1)NC[*:1]
CC[C@@H](C)CNc1cc(C)ccc1C(=O)[O-] CC[C@@H](C)C[*:1] Cc1ccc(C(=O)[O-])c(c1)N[*:1]
CC[C@@H](C)CNc1cc(C)ccc1C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)CNc1cc(C)ccc1[*:1]
CCOCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)S/C1=N\c1ccccc1 COc1ccc(cc1O)[*:1] CCOCCN1C(=O)C(=C[*:1])S/C1=N\c1ccccc1
CCOCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)S/C1=N\c1ccccc1 CCOCC[*:1] COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C2=O)[*:1])cc1O
CCOCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)S/C1=N\c1ccccc1 CCOC[*:1] COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C[*:1])C2=O)cc1O
CCOCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)S/C1=N\c1ccccc1 c1ccc(cc1)[*:1] CCOCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)SC1=N[*:1]
CCOCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)S/C1=N\c1ccccc1 CCO[*:1] COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CC[*:1])C2=O)cc1O
CC(C)n1ccc(C[C@H]([NH3+])[C@]2(C)CCCO2)n1 CC(C)[*:1] C[C@]1(CCCO1)[C@@H]([NH3+])Cc1ccn(n1)[*:1]
COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3C=CC(Cl)=NN32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1c2c(C)nn(c2N=C2C=CC(Cl)=NN21)[*:1]
COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3C=CC(Cl)=NN32)cc1 COc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c2N=C3C=CC(Cl)=NN3[C@@H](c12)[*:1]
C[C@@H]1CN(C(=O)NCc2cccc(COC(C)(C)C)c2)CCO1 CC(C)(C)[*:1] C[C@@H]1CN(CCO1)C(=O)NCc1cccc(c1)CO[*:1]
C[C@@H]1CN(C(=O)NCc2cccc(COC(C)(C)C)c2)CCO1 CC(C)(C)OC[*:1] C[C@@H]1CN(CCO1)C(=O)NCc1cccc(c1)[*:1]
C[C@@H]1CN(C(=O)NCc2cccc(COC(C)(C)C)c2)CCO1 CC(C)(C)O[*:1] C[C@@H]1CN(CCO1)C(=O)NCc1cccc(c1)C[*:1]
Cc1cc(C)n(Cc2cccc(NC(=O)NC[C@@H]3CN(CC(C)C)CCO3)c2)n1 Cc1cc(C)n(n1)[*:1] CC(C)CN1CCO[C@H](CNC(=O)Nc2cccc(c2)C[*:1])C1
Cc1cc(C)n(Cc2cccc(NC(=O)NC[C@@H]3CN(CC(C)C)CCO3)c2)n1 CC(C)[*:1] Cc1cc(C)n(Cc2cccc(c2)NC(=O)NC[C@@H]2CN(CCO2)C[*:1])n1
Cc1cc(C)n(Cc2cccc(NC(=O)NC[C@@H]3CN(CC(C)C)CCO3)c2)n1 CC(C)C[*:1] Cc1cc(C)n(Cc2cccc(c2)NC(=O)NC[C@@H]2CN(CCO2)[*:1])n1
Cc1cc(C)n(Cc2cccc(NC(=O)NC[C@@H]3CN(CC(C)C)CCO3)c2)n1 Cc1cc(C)n(C[*:1])n1 CC(C)CN1CCO[C@H](CNC(=O)Nc2cccc(c2)[*:1])C1
CC[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CC[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)[*:1]
Cc1c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1
Cc1c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cnn1-c1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cnn1-c1ccc(F)cc1 O=C(Nc1ccccc1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)S(=O)(=O)N1CCC(CC1)[*:1]
COc1ccccc1[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)[*:1]
COc1ccccc1[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1nccn1C COc1ccccc1[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1nccn1C)[*:1]
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@@H]2CCS(=O)(=O)C2)o1 O=S1(=O)CC[C@H](C1)[*:1] C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[*:1])o1
O=S(=O)(c1ccc(SCc2ccccc2C(F)(F)F)nc1)N1CCCCC1 FC(F)(F)[*:1] O=S(=O)(c1ccc(nc1)SCc1ccccc1[*:1])N1CCCCC1
O=S(=O)(c1ccc(SCc2ccccc2C(F)(F)F)nc1)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] FC(F)(F)c1ccccc1CSc1ccc(cn1)[*:1]
CNC(=O)CC1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1 CC(C)(C)[*:1] CNC(=O)CC1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
CNC(=O)CC1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1 CNC(=O)C[*:1] CC(C)(C)c1ccccc1S(=O)(=O)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1 CNC(=O)[*:1] CC(C)(C)c1ccccc1S(=O)(=O)N1CCC(CC1)C[*:1]
CCOC1CCN(C(=O)N[C@H]2[C@H](C)[C@H](OC)C2(CC)CC)CC1 CCO[*:1] CCC1(CC)[C@@H](NC(=O)N2CCC(CC2)[*:1])[C@H](C)[C@@H]1OC
COC(=O)c1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)s1 O=C(C[*:1])N1CCCC1 COC(=O)c1ccc(s1)C(=O)N1CCC(CC1)[*:1]
COC(=O)c1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)s1 O=C(N1CCCC1)[*:1] COC(=O)c1ccc(s1)C(=O)N1CCC(CC1)C[*:1]
COC(=O)c1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)s1 COC(=O)[*:1] O=C(CC1CCN(CC1)C(=O)c1ccc(s1)[*:1])N1CCCC1
C[NH2+]C[C@@H](Cc1cnc(C)s1)c1ccc(F)cc1 Cc1ncc(s1)[*:1] C[NH2+]C[C@@H](C[*:1])c1ccc(F)cc1
Nc1ccccc1Sc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] Nc1ccccc1Sc1nnnn1[*:1]
CC[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)[*:1]
CCC[C@H]1C[C@H]1NC(=O)CCC(=O)c1ccc(C)s1 CCC[*:1] Cc1ccc(s1)C(=O)CCC(=O)N[C@@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@H]1NC(=O)CCC(=O)c1ccc(C)s1 Cc1ccc(s1)[*:1] CCC[C@H]1C[C@H]1NC(=O)CCC(=O)[*:1]
CCCNC(=O)c1cccc(CNC(=O)NNc2ccccc2Cl)c1 CCC[*:1] O=C(NCc1cccc(c1)C(=O)N[*:1])NNc1ccccc1Cl
CCCNC(=O)c1cccc(CNC(=O)NNc2ccccc2Cl)c1 Clc1ccccc1[*:1] CCCNC(=O)c1cccc(c1)CNC(=O)NN[*:1]
CCCNC(=O)c1cccc(CNC(=O)NNc2ccccc2Cl)c1 CCCNC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])NNc1ccccc1Cl
CCOCc1ccccc1C[NH2+][C@H](C)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] CCOCc1ccccc1C[NH2+][C@H](C)[*:1]
CCOCc1ccccc1C[NH2+][C@H](C)c1ccc(F)cn1 CCOC[*:1] C[C@@H]([NH2+]Cc1ccccc1[*:1])c1ccc(F)cn1
CCOCc1ccccc1C[NH2+][C@H](C)c1ccc(F)cn1 CCO[*:1] C[C@@H]([NH2+]Cc1ccccc1C[*:1])c1ccc(F)cn1
Cc1cccc(CCNC(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 Cc1cccc(c1)CC[*:1] O=C(Nc1cccn(Cc2ccccc2)c1=O)N[*:1]
Cc1cccc(CCNC(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)CCNC(=O)Nc1cccn(c1=O)[*:1]
Cc1cccc(CCNC(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 Cc1cccc(c1)[*:1] O=C(NCC[*:1])Nc1cccn(Cc2ccccc2)c1=O
Cc1cccc(CCNC(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 Cc1cccc(c1)C[*:1] O=C(NC[*:1])Nc1cccn(Cc2ccccc2)c1=O
Cc1cccc(CCNC(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CCNC(=O)Nc1cccn(C[*:1])c1=O
C[C@H](CSc1ccccc1)C(=O)NCC1(O)CCOCC1 OC1(CCOCC1)[*:1] C[C@H](CSc1ccccc1)C(=O)NC[*:1]
C[C@H](CSc1ccccc1)C(=O)NCC1(O)CCOCC1 c1ccc(cc1)[*:1] C[C@H](CS[*:1])C(=O)NCC1(O)CCOCC1
C[C@H](CSc1ccccc1)C(=O)NCC1(O)CCOCC1 c1ccc(cc1)S[*:1] C[C@H](C[*:1])C(=O)NCC1(O)CCOCC1
O=C(NCCc1cccc(F)c1)N[C@@H](c1ccc(Cl)cc1)C1CC1 Fc1cccc(c1)C[*:1] O=C(NC[*:1])N[C@@H](c1ccc(Cl)cc1)C1CC1
O=C(NCCc1cccc(F)c1)N[C@@H](c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] O=C(NCCc1cccc(F)c1)N[C@@H](c1ccc(Cl)cc1)[*:1]
O=C(NCCc1cccc(F)c1)N[C@@H](c1ccc(Cl)cc1)C1CC1 Fc1cccc(c1)[*:1] O=C(NCC[*:1])N[C@@H](c1ccc(Cl)cc1)C1CC1
O=C(NCCc1cccc(F)c1)N[C@@H](c1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] O=C(NCCc1cccc(F)c1)N[C@@H](C1CC1)[*:1]
Cn1nc(C(=O)N2CCOCC2)c(Cl)c1C(F)(F)F FC(F)(F)[*:1] Cn1nc(C(=O)N2CCOCC2)c(Cl)c1[*:1]
CCOc1ccc(CC/C([O-])=N/c2nc(C(F)(F)F)n[nH]2)cc1 CCO[*:1] [O-]/C(CCc1ccc(cc1)[*:1])=N\c1nc(n[nH]1)C(F)(F)F
CCOc1ccc(CC/C([O-])=N/c2nc(C(F)(F)F)n[nH]2)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)CC/C([O-])=N/c1nc(n[nH]1)[*:1]
[NH2+]=C(NN=C1CCCCC1)SCc1ccccc1 c1ccc(cc1)[*:1] [NH2+]=C(NN=C1CCCCC1)SC[*:1]
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCc2cc(F)ccc2C1 CC(C)(C)[*:1] CS(=O)(=O)N[C@@H](C(=O)N1CCc2cc(F)ccc2C1)[*:1]
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCc2cc(F)ccc2C1 CS(=O)(=O)N[*:1] CC(C)(C)[C@@H](C(=O)N1CCc2cc(F)ccc2C1)[*:1]
C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1CCCCC[C@@H]1[NH3+] Brc1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)[C@H]1CCCCC[C@@H]1[NH3+]
Cc1cc(C(=O)N(C)[C@H](C)c2cccs2)cc(S(=O)(=O)N2CCC(C)CC2)c1C c1csc(c1)[*:1] Cc1cc(cc(c1C)S(=O)(=O)N1CCC(C)CC1)C(=O)N(C)[C@H](C)[*:1]
Cc1c(CCC(=O)NC[C@H]2CCCO2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 O=C(NC[C@H]1CCCO1)[*:1] Cc1c(CC[*:1])c(=O)oc2c(C)c3occ(c3cc12)C(C)(C)C
Cc1c(CCC(=O)NC[C@H]2CCCO2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 O=C(C[*:1])NC[C@H]1CCCO1 Cc1c(C[*:1])c(=O)oc2c(C)c3occ(c3cc12)C(C)(C)C
Cc1c(CCC(=O)NC[C@H]2CCCO2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 CC(C)(C)[*:1] Cc1c(CCC(=O)NC[C@H]2CCCO2)c(=O)oc2c(C)c3occ(c3cc12)[*:1]
O=C(CCCc1cn[nH]c1)N1CCC[C@H](CCc2ccccc2F)C1 c1n[nH]cc1CC[*:1] O=C(C[*:1])N1CCC[C@H](CCc2ccccc2F)C1
O=C(CCCc1cn[nH]c1)N1CCC[C@H](CCc2ccccc2F)C1 c1n[nH]cc1[*:1] O=C(CCC[*:1])N1CCC[C@H](CCc2ccccc2F)C1
O=C(CCCc1cn[nH]c1)N1CCC[C@H](CCc2ccccc2F)C1 c1n[nH]cc1CCC[*:1] O=C(N1CCC[C@H](CCc2ccccc2F)C1)[*:1]
O=C(CCCc1cn[nH]c1)N1CCC[C@H](CCc2ccccc2F)C1 c1n[nH]cc1C[*:1] O=C(CC[*:1])N1CCC[C@H](CCc2ccccc2F)C1
O=C(CCCc1cn[nH]c1)N1CCC[C@H](CCc2ccccc2F)C1 Fc1ccccc1[*:1] O=C(CCCc1cn[nH]c1)N1CCC[C@H](CC[*:1])C1
O=C(CCCc1cn[nH]c1)N1CCC[C@H](CCc2ccccc2F)C1 Fc1ccccc1C[*:1] O=C(CCCc1cn[nH]c1)N1CCC[C@@H](C1)C[*:1]
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(F)cc1 c1coc(c1)[*:1] C[C@H](OC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1)C(=O)Nc1ccc(F)cc1
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(F)cc1 c1coc(c1)C[*:1] C[C@H](OC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])C(=O)Nc1ccc(F)cc1
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] C[C@H](OC(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1)[*:1]
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](OC(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1)C(=O)N[*:1]
O=C(NC1CCN(c2ccc(N3CCCCCC3)nn2)CC1)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(NC1CCN(CC1)c1ccc(nn1)N1CCCCCC1)[*:1]
O=C(NC1CCN(c2ccc(N3CCCCCC3)nn2)CC1)c1ccc(F)c(Cl)c1 C1CCCN(CC1)[*:1] O=C(NC1CCN(CC1)c1ccc(nn1)[*:1])c1ccc(F)c(Cl)c1
CCOc1ncccc1CNC(=O)N1CCC[C@H](OC)C1 CCO[*:1] CO[C@H]1CCCN(C1)C(=O)NCc1cccnc1[*:1]
COc1ccc(-c2cc(C(=O)[O-])nc(=O)n2C)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1cc(nc(=O)n1C)[*:1]
Cc1ccsc1CNS(=O)(=O)c1ccc(C(=O)[O-])s1 O=C([O-])[*:1] Cc1ccsc1CNS(=O)(=O)c1ccc(s1)[*:1]
Cc1ccsc1CNS(=O)(=O)c1ccc(C(=O)[O-])s1 Cc1ccsc1[*:1] O=C([O-])c1ccc(s1)S(=O)(=O)NC[*:1]
COc1cccc(OCCNC(=O)Cc2ccc(C)nc2)c1 Cc1ccc(cn1)[*:1] COc1cccc(c1)OCCNC(=O)C[*:1]
C[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC2CC2)c2ccccc21 C1CC1[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C[*:1])c2ccccc21
C[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC2CC2)c2ccccc21 C1CC1C[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2ccccc21)[*:1]
COC(=O)c1ccc2nc(Cl)cc(Cl)c2c1 COC(=O)[*:1] Clc1cc(Cl)c2cc(ccc2n1)[*:1]
CCC(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 CCC(CC)[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1C)NC(=O)[*:1]
COc1ccc(/C(C)=N/NC(=S)NC2CCCCC2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)/C(C)=N/NC(=S)N[*:1]
COC(=O)COc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2C)c2ccccc12 COC(=O)C[*:1] C[C@H]1CCN(C(=O)Nc2ccc(O[*:1])c3ccccc23)[C@H](C)C1
COC(=O)COc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2C)c2ccccc12 COC(=O)[*:1] C[C@H]1CCN(C(=O)Nc2ccc(OC[*:1])c3ccccc23)[C@H](C)C1
COC(=O)COc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2C)c2ccccc12 COC(=O)CO[*:1] C[C@H]1CCN(C(=O)Nc2ccc(c3ccccc23)[*:1])[C@H](C)C1
O=C(OCCO)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 O=C(OCCO)[*:1] O=S(=O)(c1cc(ccc1Cl)[*:1])N1CCc2ccccc21
O=C(OCCO)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 OCC[*:1] O=C(O[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCc2ccccc21
C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1cc(F)ccc1F Fc1ccc(cc1)[*:1] C[C@@H]([NH2+]Cc1ccn(n1)[*:1])c1cc(F)ccc1F
C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] C[C@@H]([NH2+]Cc1ccn(n1)-c1ccc(F)cc1)[*:1]
C[NH+](C)C1CCN(C(C)(C)CNC(=O)Nc2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] C[NH+](C)C1CCN(CC1)C(C)(C)CNC(=O)N[*:1]
CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC CC[C@H](C)NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)c1ccccc1)[*:1]
CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@@H](NC(=O)[*:1])[C@@H](C)CC
CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)[*:1]
C[C@H](CNC(=O)NC[C@@H](O)c1cnn(C)c1)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@H](CNC(=O)NC[C@@H](O)c1cnn(C)c1)[*:1]
C[C@H](CNC(=O)NC[C@@H](O)c1cnn(C)c1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)NC[C@@H](O)c1cnn(C)c1)C[*:1]
C[C@H](CNC(=O)NC[C@@H](O)c1cnn(C)c1)CN1CCOCC1 Cn1cc(cn1)[*:1] C[C@H](CNC(=O)NC[C@@H](O)[*:1])CN1CCOCC1
[NH3+]C1(CC(=O)NCC(=O)NCc2ccccc2)CCC1 c1ccc(cc1)[*:1] [NH3+]C1(CCC1)CC(=O)NCC(=O)NC[*:1]
Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)NCc2cccc3ccccc23)CC1 c1ccc(nc1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)NCc1cccc2ccccc12)[*:1]
Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)NCc2cccc3ccccc23)CC1 c1ccc2c(cccc2c1)[*:1] Cc1nn(-c2ccccn2)c(C)c1N1CCN(CC1)C(=O)NC[*:1]
Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)NCc2cccc3ccccc23)CC1 c1ccc2c(cccc2c1)C[*:1] Cc1nn(-c2ccccn2)c(C)c1N1CCN(CC1)C(=O)N[*:1]
COc1ccc(N2CN(C(=O)CN(CC(C)C)C(C)=O)CC2=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N(CC(=O)N1CC(=O)N(C1)[*:1])CC(C)C
COc1ccc(N2CN(C(=O)CN(CC(C)C)C(C)=O)CC2=O)cc1 CC(C)C[*:1] COc1ccc(cc1)N1CN(CC1=O)C(=O)CN(C(C)=O)[*:1]
COc1ccc(N2CN(C(=O)CN(CC(C)C)C(C)=O)CC2=O)cc1 CC(=O)N(CC(C)C)[*:1] COc1ccc(cc1)N1CN(CC1=O)C(=O)C[*:1]
COc1ccc(N2CN(C(=O)CN(CC(C)C)C(C)=O)CC2=O)cc1 CC(C)[*:1] COc1ccc(cc1)N1CN(CC1=O)C(=O)CN(C[*:1])C(C)=O
COCCN(C(=O)CCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 CC(C)(C)[*:1] COCCN(C(=O)CC[*:1])[C@H]1CCS(=O)(=O)C1
COCCN(C(=O)CCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 CC(C)(C)CC[*:1] COCCN(C(=O)[*:1])[C@H]1CCS(=O)(=O)C1
COCCN(C(=O)CCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 COC[*:1] CC(C)(C)CCC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COCCN(C(=O)CCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 CC(C)(C)C[*:1] COCCN(C(=O)C[*:1])[C@H]1CCS(=O)(=O)C1
COCCN(C(=O)CCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 COCC[*:1] CC(C)(C)CCC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(NC(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1cnc(n1)-c1cccc(c1)[N+](=O)[O-])N[*:1]
Cc1ccc(NC(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)NC(=O)Cn1cnc(n1)-c1cccc(c1)[*:1]
CCN1C[C@]2(CCCN(C(=O)c3cc(=O)n(-c4ccccc4)[nH]3)C2)CCC1=O c1ccc(cc1)[*:1] CCN1C[C@]2(CCCN(C2)C(=O)c2cc(=O)n([nH]2)[*:1])CCC1=O
CCOC(=O)c1sc(NC(=O)c2n[nH]c3ccc(C)cc23)nc1C CCOC(=O)[*:1] Cc1ccc2[nH]nc(C(=O)Nc3nc(C)c(s3)[*:1])c2c1
Cc1ccc(S(=O)(=O)N(C)c2c(F)cccc2C(N)=O)c(F)c1 NC(=O)[*:1] Cc1ccc(c(F)c1)S(=O)(=O)N(C)c1c(F)cccc1[*:1]
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC2(CC1)OCCO2 C[C@@H](C#N)C[*:1] CCN(C(=O)C[NH+]1CCC2(CC1)OCCO2)[*:1]
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC2(CC1)OCCO2 C[C@@H](C#N)[*:1] CCN(C[*:1])C(=O)C[NH+]1CCC2(CC1)OCCO2
O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2cccs2)sc2nc(-c3ccco3)nn12 c1coc(c1)[*:1] O=c1/c(=C/c2cn(nc2-c2cccs2)-c2ccccc2)sc2nc(nn12)[*:1]
O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2cccs2)sc2nc(-c3ccco3)nn12 c1ccc(cc1)[*:1] O=c1/c(=C/c2cn(nc2-c2cccs2)[*:1])sc2nc(nn12)-c1ccco1
O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2cccs2)sc2nc(-c3ccco3)nn12 c1csc(c1)[*:1] O=c1/c(=C/c2cn(nc2[*:1])-c2ccccc2)sc2nc(nn12)-c1ccco1
CO[C@@H](CNC(=O)c1ccc(-c2cscn2)cc1)c1ccccc1 c1nc(cs1)[*:1] CO[C@@H](CNC(=O)c1ccc(cc1)[*:1])c1ccccc1
CO[C@@H](CNC(=O)c1ccc(-c2cscn2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)c1ccc(cc1)-c1cscn1)[*:1]
CN(C)c1ncncc1NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] CN(C)c1ncncc1NC(=O)c1cnc(cn1)[*:1]
CN(C)c1ncncc1NC(=O)c1cnc(Oc2ccccc2)cn1 CN(C)[*:1] O=C(Nc1cncnc1[*:1])c1cnc(cn1)Oc1ccccc1
CN(C)c1ncncc1NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CN(C)c1ncncc1NC(=O)c1cnc(cn1)O[*:1]
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Nc1cnn(C(C)(C)C)c1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)C(=O)Nc1cnn(c1)C(C)(C)C
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Nc1cnn(C(C)(C)C)c1 CCS(=O)(=O)C[*:1] C[C@@H](N(C)C(=O)Nc1cnn(c1)C(C)(C)C)[*:1]
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Nc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Nc1cnn(c1)[*:1]
CC[C@@](C)([C@@H]([NH3+])CCC1CC1)[NH+]1CCCCC1 C1CC1[*:1] CC[C@@](C)([C@@H]([NH3+])CC[*:1])[NH+]1CCCCC1
CC[C@@](C)([C@@H]([NH3+])CCC1CC1)[NH+]1CCCCC1 C1CC1CC[*:1] CC[C@@](C)([C@@H]([NH3+])[*:1])[NH+]1CCCCC1
CC[C@@](C)([C@@H]([NH3+])CCC1CC1)[NH+]1CCCCC1 C1CC1C[*:1] CC[C@@](C)([C@@H]([NH3+])C[*:1])[NH+]1CCCCC1
C[C@H](Cc1c(F)cccc1F)NC(=O)Cn1c(=O)sc2ccccc21 Fc1cccc(F)c1[*:1] C[C@H](C[*:1])NC(=O)Cn1c(=O)sc2ccccc21
CCCn1ccnc1C[C@@H]([NH2+]CC)[C@@H]1CC[C@H](C)C1 C[C@H]1CC[C@H](C1)[*:1] CCCn1ccnc1C[C@@H]([NH2+]CC)[*:1]
CCCn1ccnc1C[C@@H]([NH2+]CC)[C@@H]1CC[C@H](C)C1 CCC[*:1] CC[NH2+][C@H](Cc1nccn1[*:1])[C@@H]1CC[C@H](C)C1
CCOC(=O)c1s/c(=N\C(=O)c2cc3c(OC)ccc(OC)c3n2C)[nH]c1C CCOC(=O)[*:1] COc1ccc(OC)c2c1cc(C(=O)/N=c1/[nH]c(C)c(s1)[*:1])n2C
Cc1ccc(NC(=O)/C=C/c2ccc(C)o2)c(C)c1 Cc1ccc(o1)[*:1] Cc1ccc(NC(=O)C=C[*:1])c(C)c1
CN(C[C@@H]1CCC[C@@H]1O)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CN(C[C@@H]1CCC[C@@H]1O)C(=O)Nc1cnc(s1)[*:1]
COc1c(C)ccc(NC(=O)CC[C@H](C)O)c1C C[C@H](O)C[*:1] COc1c(C)ccc(NC(=O)C[*:1])c1C
COc1c(C)ccc(NC(=O)CC[C@H](C)O)c1C C[C@H](O)CC[*:1] COc1c(C)ccc(NC(=O)[*:1])c1C
COc1c(C)ccc(NC(=O)CC[C@H](C)O)c1C C[C@H](O)[*:1] COc1c(C)ccc(NC(=O)CC[*:1])c1C
C[C@H]1CCCC[C@@H]1Oc1nc(C(F)(F)F)ccc1C(N)=[NH2+] FC(F)(F)[*:1] C[C@H]1CCCC[C@@H]1Oc1nc(ccc1C(N)=[NH2+])[*:1]
C[C@H]1CCCC[C@@H]1Oc1nc(C(F)(F)F)ccc1C(N)=[NH2+] C[C@H]1CCCC[C@H]1[*:1] NC(=[NH2+])c1ccc(nc1O[*:1])C(F)(F)F
C[C@H]1CCCC[C@@H]1Oc1nc(C(F)(F)F)ccc1C(N)=[NH2+] NC(=[NH2+])[*:1] C[C@H]1CCCC[C@@H]1Oc1nc(ccc1[*:1])C(F)(F)F
Nc1nnc(SCCOc2ccc([N+](=O)[O-])cc2)n1C1CC1 C1CC1[*:1] Nc1nnc(SCCOc2ccc(cc2)[N+](=O)[O-])n1[*:1]
Nc1nnc(SCCOc2ccc([N+](=O)[O-])cc2)n1C1CC1 O=[N+]([O-])[*:1] Nc1nnc(SCCOc2ccc(cc2)[*:1])n1C1CC1
CC[C@H]([NH3+])[C@@H](c1cccs1)N1CCC(CC)(CC)C1 c1csc(c1)[*:1] CC[C@H]([NH3+])[C@@H](N1CCC(CC)(CC)C1)[*:1]
NC(=O)c1cnc(Oc2cncc(Cl)c2)c(Cl)c1 NC(=O)[*:1] Clc1cncc(c1)Oc1ncc(cc1Cl)[*:1]
CC(C)(C)c1ccc(NC(=O)CN2C(=O)[C@H]3C[C@H]3C2=O)cc1 CC(C)(C)[*:1] O=C(CN1C(=O)[C@H]2C[C@H]2C1=O)Nc1ccc(cc1)[*:1]
O=C1N=NCN2C1=C(n1cccc1)C1=C3CCCC[C@@H]3S[C@@H]12 c1ccn(c1)[*:1] O=C1N=NCN2C1=C(C1=C3CCCC[C@@H]3S[C@@H]12)[*:1]
CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCc3ccc(Br)cc32)c1 CCN(CC)S(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCc2ccc(Br)cc21
O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C(=O)N=C(SCc3ccccc3Cl)N=C2N1 Clc1ccccc1[*:1] O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C(=O)N=C(N=C2N1)SC[*:1]
O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C(=O)N=C(SCc3ccccc3Cl)N=C2N1 Fc1ccc(F)c(c1)[*:1] O=C1C[C@H](C(=O)N[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1ccccc1Cl
O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C(=O)N=C(SCc3ccccc3Cl)N=C2N1 Clc1ccccc1C[*:1] O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C(=O)N=C(N=C2N1)S[*:1]
CCOC(=O)c1ccsc1NC(=O)N(C[C@H]1CCCO1)C1CCCC1 CCOC(=O)[*:1] O=C(Nc1sccc1[*:1])N(C[C@H]1CCCO1)C1CCCC1
CCOC(=O)c1ccsc1NC(=O)N(C[C@H]1CCCO1)C1CCCC1 C1CCC(C1)[*:1] CCOC(=O)c1ccsc1NC(=O)N(C[C@H]1CCCO1)[*:1]
CCOC(=O)c1ccsc1NC(=O)N(C[C@H]1CCCO1)C1CCCC1 C1CO[C@H](C1)C[*:1] CCOC(=O)c1ccsc1NC(=O)N(C1CCCC1)[*:1]
CCOc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccc(C)cc2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(sc1C(=O)N[*:1])N1CCOCC1
CCOc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccc(C)cc2)cc1 C1CN(CCO1)[*:1] CCOc1ccc(cc1)NC(=O)c1sc(nc1-c1ccc(C)cc1)[*:1]
CCOc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)c1sc(nc1[*:1])N1CCOCC1
CCOc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccc(C)cc2)cc1 CCO[*:1] Cc1ccc(cc1)-c1nc(sc1C(=O)Nc1ccc(cc1)[*:1])N1CCOCC1
CC(=O)N[C@@H]1CCCN(C(=O)COc2ccc(C)cn2)C1 CC(=O)N[*:1] Cc1ccc(nc1)OCC(=O)N1CCC[C@H](C1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)COc2ccc(C)cn2)C1 Cc1ccc(nc1)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)CO[*:1]
CCc1noc(C)c1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CCc1noc(C)c1C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc2cc[nH]c2c1 c1cc2ccc(cc2[nH]1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)Cc1ccccc1)[*:1]
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc2cc[nH]c2c1 c1ccc(cc1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)C[*:1])c1ccc2cc[nH]c2c1
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc2cc[nH]c2c1 c1ccc(cc1)C[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)[*:1])c1ccc2cc[nH]c2c1
COc1ccccc1[C@H]1N=[NH+]C(=S)N1NCc1ccc2c(c1)n(C)c(=O)n2C COc1ccccc1[*:1] Cn1c(=O)n(C)c2cc(ccc21)CNN1C(=S)[NH+]=N[C@@H]1[*:1]
CCOCc1ccccc1NC(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] CCOCc1ccccc1NC(=O)c1ccc(cc1)[*:1]
CCOCc1ccccc1NC(=O)c1ccc(-c2cscn2)cc1 CCO[*:1] O=C(Nc1ccccc1C[*:1])c1ccc(cc1)-c1cscn1
CCOCc1ccccc1NC(=O)c1ccc(-c2cscn2)cc1 CCOC[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)-c1cscn1
Cc1nn(CC(=O)NC(C)C)c(C)c1[N+](=O)[O-] CC(C)[*:1] Cc1nn(CC(=O)N[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CC(=O)NC(C)C)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)NC(C)C)c(C)c1[*:1]
COC(=O)CC(=O)c1cccc2c1OCCO2 COC(=O)[*:1] O=C(C[*:1])c1cccc2OCCOc21
COC(=O)CC(=O)c1cccc2c1OCCO2 COC(=O)C[*:1] O=C(c1cccc2OCCOc21)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1 Clc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(cc1)C(=O)[O-]
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(cc1)[*:1]
COCCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccccc1C Cc1ccccc1[*:1] COCCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1[*:1]
COCCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccccc1C COC[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccccn1)C[*:1]
COCCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccccc1C c1ccc(C[*:1])nc1 COCCN(C(=O)[C@H]1C[C@H]1c1ccccc1C)[*:1]
COCCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccccc1C c1ccc(nc1)[*:1] COCCN(C[*:1])C(=O)[C@H]1C[C@H]1c1ccccc1C
COCCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccccc1C COCC[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccccn1)[*:1]
N#C/C=C(\c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] N#C/C=C(/N1CCCN(CC1)C(=O)c1ccc(Cl)cc1)[*:1]
N#C/C=C(\c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] N#C/C=C(\c1ccccc1)N1CCCN(CC1)C(=O)[*:1]
Cc1ccoc1C(=O)OCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccoc1C(=O)OCc1ccc(cc1)[*:1]
Cc1ccoc1C(=O)OCc1ccc([N+](=O)[O-])cc1 Cc1ccoc1[*:1] O=C(OCc1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)/C=C1/CCCC/C1=N\NC(N)=S CC(C)[*:1] NC(=S)N/N=C1\CCCCC1=C[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)CN1CCO[C@H](CC(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CN1CCO[C@@H](C1)C[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)CN1CCO[C@H](CC(=O)[O-])C1 O=C([O-])C[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CN1CCO[C@H](C1)[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)CN1CCO[C@H](CC(=O)[O-])C1 C[C@@H]1CCCC[C@@H]1[*:1] O=C([O-])C[C@@H]1CN(CCO1)CC(=O)N[*:1]
NC(=O)c1ccccc1OCc1nnc(-c2cc3ccccn3n2)o1 NC(=O)[*:1] c1ccc(c(c1)OCc1nnc(o1)-c1cc2ccccn2n1)[*:1]
C/C(CCC(C)C)=N/Nc1nc2ccccc2[nH]1 CC(C)CC[*:1] CC(=NNc1nc2ccccc2[nH]1)[*:1]
C/C(CCC(C)C)=N/Nc1nc2ccccc2[nH]1 CC(C)C[*:1] C/C(C[*:1])=N/Nc1nc2ccccc2[nH]1
C/C(CCC(C)C)=N/Nc1nc2ccccc2[nH]1 CC(C)[*:1] C/C(CC[*:1])=N/Nc1nc2ccccc2[nH]1
CC[C@@H](Nc1nncc(-c2ccccc2F)n1)c1nc2cc(C)ccc2[nH]1 Fc1ccccc1[*:1] CC[C@@H](Nc1nncc(n1)[*:1])c1nc2cc(C)ccc2[nH]1
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccc(C)c(C)c1 CCC[*:1] Cc1ccc(cc1C)OC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
O=C([O-])c1ccccc1NCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C([O-])c1ccccc1NCc1ccccc1[*:1]
O=C([O-])c1ccccc1NCc1ccccc1[N+](=O)[O-] O=C([O-])[*:1] O=[N+]([O-])c1ccccc1CNc1ccccc1[*:1]
CCCNC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 CCCNC(=O)N[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCCNC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 CCC[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)N[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N[C@@H]1CCC[C@H]1[*:1]
COCc1nc(C)cc(N[C@H](C)C(C)(C)c2ccccc2)n1 c1ccc(cc1)[*:1] COCc1nc(C)cc(n1)N[C@H](C)C(C)(C)[*:1]
COCc1nc(C)cc(N[C@H](C)C(C)(C)c2ccccc2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N[C@H](C)C(C)(C)c1ccccc1
COC(=O)[C@@H](c1ccccc1Cl)N1CCC[C@@H]1c1ccsc1 COC(=O)[*:1] Clc1ccccc1[C@@H](N1CCC[C@@H]1c1ccsc1)[*:1]
COC(=O)[C@@H](c1ccccc1Cl)N1CCC[C@@H]1c1ccsc1 Clc1ccccc1[*:1] COC(=O)[C@@H](N1CCC[C@@H]1c1ccsc1)[*:1]
COC(=O)[C@@H](c1ccccc1Cl)N1CCC[C@@H]1c1ccsc1 c1cc(cs1)[*:1] COC(=O)[C@@H](c1ccccc1Cl)N1CCC[C@H]1[*:1]
CSc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1 CSc1cccc(c1)[*:1] C[C@@H]([NH2+][C@H](C)c1ccc2OCOc2c1)C(=O)N[*:1]
C[C@@H]1COCCN1[C@@H]1CC[C@@](CO)([NH2+]C2CC2)C1 C1CC1[*:1] C[C@@H]1COCCN1[C@@H]1CC[C@](CO)(C1)[NH2+][*:1]
Cc1ccc(C/[NH+]=C(\N)NC(C)C)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)C[*:1] Cc1ccc(C/[NH+]=C(\N)NC(C)C)c(c1)O[*:1]
Cc1ccc(C/[NH+]=C(\N)NC(C)C)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] Cc1ccc(C/[NH+]=C(\N)NC(C)C)c(c1)OC[*:1]
Cc1ccc(C/[NH+]=C(\N)NC(C)C)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)CO[*:1] Cc1ccc(C/[NH+]=C(\N)NC(C)C)c(c1)[*:1]
Cc1ccc(C/[NH+]=C(\N)NC(C)C)c(OC[C@@H]2CCOC2)c1 CC(C)[*:1] Cc1ccc(C/[NH+]=C(\N)N[*:1])c(c1)OC[C@@H]1CCOC1
CCOc1ccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)cc1 Cc1cccc(c1)[*:1] CCOc1ccc(/C=N/n2c(n[nH]c2=S)[*:1])cc1
CCOc1ccc(/C=N/n2c(-c3cccc(C)c3)n[nH]c2=S)cc1 CCO[*:1] Cc1cccc(c1)-c1n[nH]c(=S)n1/N=C/c1ccc(cc1)[*:1]
CC[C@@H](CNC(=O)NCc1c(C)noc1C)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](CNC(=O)NCc1c(C)noc1C)[*:1]
Cc1cccnc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O Cc1cccnc1[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2ccccc2c1
C[C@@H](O)Cn1c(N(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C c1ccc(cc1)C[*:1] C[C@@H](O)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N(Cc1ccccc1)[*:1]
C[C@@H](O)Cn1c(N(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C c1ccc(cc1)[*:1] C[C@@H](O)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N(Cc1ccccc1)C[*:1]
COCc1cc(C)nc2sc3c(nnn4c5ccccc5nc34)c12 COC[*:1] Cc1cc(c2c(n1)sc1c2nnn2c3ccccc3nc12)[*:1]
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)[*:1]
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc(cc1)[*:1]
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc([N+](=O)[O-])cc1 c1ccc2sc(nc2c1)[*:1] O=C(NC(=S)Nc1ccc(c(O)c1)[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C COc1ccccc1C[*:1] C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N[*:1]
COc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C COc1ccccc1[*:1] C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NC[*:1]
COc1cc(C)c(-c2csc(NC(=O)CCc3c(C)nc(N)nc3C)n2)cc1C Cc1nc(N)nc(C)c1[*:1] COc1cc(C)c(cc1C)-c1csc(n1)NC(=O)CC[*:1]
C[C@H](NC(=O)Nc1ccnn1Cc1ccccn1)C(=O)OC1CCCC1 c1ccc(C[*:1])nc1 C[C@H](NC(=O)Nc1ccnn1[*:1])C(=O)OC1CCCC1
C[C@H](NC(=O)Nc1ccnn1Cc1ccccn1)C(=O)OC1CCCC1 c1ccc(nc1)[*:1] C[C@H](NC(=O)Nc1ccnn1C[*:1])C(=O)OC1CCCC1
C[C@H](NC(=O)Nc1ccnn1Cc1ccccn1)C(=O)OC1CCCC1 O=C(OC1CCCC1)[*:1] C[C@H](NC(=O)Nc1ccnn1Cc1ccccn1)[*:1]
C[C@H](NC(=O)Nc1ccnn1Cc1ccccn1)C(=O)OC1CCCC1 C1CCC(C1)[*:1] C[C@H](NC(=O)Nc1ccnn1Cc1ccccn1)C(=O)O[*:1]
CCc1nc(N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)no1 Clc1cccc(c1)C[*:1] CCc1nc(no1)N1CCC(CCC(=O)N[*:1])CC1
CCc1nc(N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)no1 CCc1nc(no1)[*:1] O=C(CCC1CCN(CC1)[*:1])NCc1cccc(Cl)c1
CCc1nc(N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)no1 Clc1cccc(c1)[*:1] CCc1nc(no1)N1CCC(CCC(=O)NC[*:1])CC1
O=C1CCc2cc(C(=O)COC(=O)Cc3noc4ccccc34)c(F)cc2N1 c1ccc2c(noc2c1)[*:1] O=C1CCc2cc(C(=O)COC(=O)C[*:1])c(F)cc2N1
CC(C)N(C)C(=O)CN1CC[NH2+]C[C@@H]1C#N CC(C)[*:1] CN(C(=O)CN1CC[NH2+]C[C@@H]1C#N)[*:1]
CC[NH2+][C@H](c1cccc(Cl)c1)c1ncc[nH]1 c1c[nH]c(n1)[*:1] CC[NH2+][C@H](c1cccc(Cl)c1)[*:1]
COC(=O)c1cc(CN2CCN(c3ccc(F)cc3Cl)CC2)c[nH]1 COC(=O)[*:1] Fc1ccc(c(Cl)c1)N1CCN(CC1)Cc1c[nH]c(c1)[*:1]
COC(=O)c1cc(CN2CCN(c3ccc(F)cc3Cl)CC2)c[nH]1 Fc1ccc(c(Cl)c1)[*:1] COC(=O)c1cc(c[nH]1)CN1CCN(CC1)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 Clc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 Cc1cccc(C)c1[*:1] O=C(CNC(=O)[C@H]1CC(=O)N(C1)c1ccccc1Cl)N[*:1]
Cc1ccc2c(c1)OCCN2c1sc(C(=O)[O-])cc1C O=C([O-])[*:1] Cc1ccc2c(c1)OCCN2c1sc(cc1C)[*:1]
O=C(COc1ccc(N2CCCC2=O)cc1)NNc1ccc(F)cc1 O=C1CCCN1[*:1] O=C(COc1ccc(cc1)[*:1])NNc1ccc(F)cc1
O=C(COc1ccc(N2CCCC2=O)cc1)NNc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COc1ccc(cc1)N1CCCC1=O)NN[*:1]
O=C(c1ccoc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 c1cc(co1)[*:1] O=C(N1CCC[C@@H](C1)c1[nH]cc[nH+]1)[*:1]
Cc1nc(C(=O)N2CCC[C@@H]2c2ccccn2)co1 c1ccc(nc1)[*:1] Cc1nc(co1)C(=O)N1CCC[C@H]1[*:1]
Cc1nc(C(=O)N2CCC[C@@H]2c2ccccn2)co1 Cc1nc(co1)[*:1] O=C(N1CCC[C@@H]1c1ccccn1)[*:1]
NC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)NC1CCCCCC1 NC(=O)N[*:1] O=C(COC(=O)[C@H](Cc1ccccc1)[*:1])NC1CCCCCC1
NC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)NC1CCCCCC1 c1ccc(cc1)[*:1] NC(=O)N[C@@H](C[*:1])C(=O)OCC(=O)NC1CCCCCC1
NC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)NC1CCCCCC1 c1ccc(cc1)C[*:1] NC(=O)N[C@@H](C(=O)OCC(=O)NC1CCCCCC1)[*:1]
NC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] NC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)N[*:1]
COc1ccc(CCNC(=O)[C@H]2CCC(=O)N2)c(Cl)c1 O=C1CC[C@@H](N1)[*:1] COc1ccc(CCNC(=O)[*:1])c(Cl)c1
Cc1noc(C)c1COc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cc1noc(C)c1COc1ccc(cc1)[*:1]
CC[C@](C)(NS(=O)(=O)c1ccc(C(=O)OC)cc1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NS(=O)(=O)c1ccc(cc1)C(=O)OC)[*:1]
CC[C@](C)(NS(=O)(=O)c1ccc(C(=O)OC)cc1)C(=O)[O-] COC(=O)[*:1] CC[C@](C)(NS(=O)(=O)c1ccc(cc1)[*:1])C(=O)[O-]
O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1ccccn1 c1ccc(cc1)[*:1] O=c1c2c(n3ncnc3nc2ccn1-c1ccccn1)[*:1]
O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1ccccn1 c1ccc(nc1)[*:1] O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1[*:1]
CCc1nc(CNC(=O)[C@H]2CSCN2C(=O)C2CCCCC2)cs1 CCc1nc(cs1)[*:1] O=C(NC[*:1])[C@H]1CSCN1C(=O)C1CCCCC1
CCc1nc(CNC(=O)[C@H]2CSCN2C(=O)C2CCCCC2)cs1 CCc1nc(cs1)C[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)C1CCCCC1
CCc1nc(CNC(=O)[C@H]2CSCN2C(=O)C2CCCCC2)cs1 C1CCC(CC1)[*:1] CCc1nc(cs1)CNC(=O)[C@H]1CSCN1C(=O)[*:1]
COc1cccc([C@H](CO)NC(=O)NCCC(F)(F)F)c1 FC(F)(F)CC[*:1] COc1cccc(c1)[C@H](CO)NC(=O)N[*:1]
COc1cccc([C@H](CO)NC(=O)NCCC(F)(F)F)c1 FC(F)(F)C[*:1] COc1cccc(c1)[C@H](CO)NC(=O)NC[*:1]
COc1cccc([C@H](CO)NC(=O)NCCC(F)(F)F)c1 FC(F)(F)[*:1] COc1cccc(c1)[C@H](CO)NC(=O)NCC[*:1]
CC1(C)OC(C)(C)[C@H](CN2CCC(C(F)(F)F)CC2)[C@H]1[NH3+] FC(F)(F)[*:1] CC1(C)OC(C)(C)[C@H](CN2CCC(CC2)[*:1])[C@H]1[NH3+]
Cc1c(CCC(=O)NCCCN2CCOCC2)c(=O)oc2c(C)c(O)ccc12 C1CN(CCO1)[*:1] Cc1c(CCC(=O)NCCC[*:1])c(=O)oc2c(C)c(O)ccc12
Cc1c(CCC(=O)NCCCN2CCOCC2)c(=O)oc2c(C)c(O)ccc12 C(CN1CCOCC1)C[*:1] Cc1c(CCC(=O)N[*:1])c(=O)oc2c(C)c(O)ccc12
Cc1c(CCC(=O)NCCCN2CCOCC2)c(=O)oc2c(C)c(O)ccc12 C1CN(CCO1)CC[*:1] Cc1c(CCC(=O)NC[*:1])c(=O)oc2c(C)c(O)ccc12
Cc1c(CCC(=O)NCCCN2CCOCC2)c(=O)oc2c(C)c(O)ccc12 C1CN(CCO1)C[*:1] Cc1c(CCC(=O)NCC[*:1])c(=O)oc2c(C)c(O)ccc12
CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ncc(C(C)(C)C)o1 CC(C)(C)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)NCc1ncc(o1)[*:1]
CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[*:1])C1
CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 CC[C@@H](C)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 CC[C@@H](C)NC(=O)[*:1] O=C1C[C@H](CN1CCc1ccc(F)cc1)[*:1]
Cc1noc(C)c1C[C@H](C)Nc1ccc2nnc(-c3ccccc3F)n2n1 Fc1ccccc1[*:1] Cc1noc(C)c1C[C@H](C)Nc1ccc2nnc(n2n1)[*:1]
Cc1noc(C)c1C[C@H](C)Nc1ccc2nnc(-c3ccccc3F)n2n1 Cc1noc(C)c1C[*:1] C[C@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)[*:1]
Cc1noc(C)c1C[C@H](C)Nc1ccc2nnc(-c3ccccc3F)n2n1 Cc1noc(C)c1[*:1] C[C@@H](C[*:1])Nc1ccc2nnc(-c3ccccc3F)n2n1
O=C1C[C@H](CNC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(NC[C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)C(c1ccccc1)c1ccccc1
O=C1C[C@H](CNC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](CNC(=O)N2CCN(CC2)C(c2ccccc2)[*:1])CN1Cc1ccccc1
O=C1C[C@H](CNC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](CNC(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)CN1C[*:1]
CN(C)C(=O)[C@H]1C[NH2+]CCN1[C@@H]1CC(C)(C)OC1(C)C CN(C)C(=O)[*:1] CC1(C)C[C@@H](N2CC[NH2+]C[C@@H]2[*:1])C(C)(C)O1
CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc1 CC(C)(C)c1ccc(cc1)[*:1] C[C@@]1(CCCN(C1)S(=O)(=O)[*:1])C(=O)NCc1ccccc1
CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc1 O=C(NCc1ccccc1)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC[C@](C)(C1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc1 c1ccc(cc1)C[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(C1)C(=O)N[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(C1)C(=O)NC[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc1 CC(C)(C)[*:1] C[C@@]1(CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1])C(=O)NCc1ccccc1
O=C(Cc1ccc(OC(F)F)cc1)NC[C@H]1COc2ccccc2C1 FC(F)O[*:1] O=C(Cc1ccc(cc1)[*:1])NC[C@H]1COc2ccccc2C1
O=C(Cc1ccc(OC(F)F)cc1)NC[C@H]1COc2ccccc2C1 FC(F)[*:1] O=C(Cc1ccc(cc1)O[*:1])NC[C@H]1COc2ccccc2C1
Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(Cc2cccnc2)C3=O)cc1Cl c1cncc(c1)[*:1] Cc1cc(O)c(cc1Cl)-c1n[nH]c2C(=O)N(C[*:1])[C@H](c3cccc(O)c3)c12
Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(Cc2cccnc2)C3=O)cc1Cl c1cncc(c1)C[*:1] Cc1cc(O)c(cc1Cl)-c1n[nH]c2C(=O)N([C@H](c3cccc(O)c3)c12)[*:1]
Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(Cc2cccnc2)C3=O)cc1Cl Oc1cccc(c1)[*:1] Cc1cc(O)c(cc1Cl)-c1n[nH]c2C(=O)N(Cc3cccnc3)[C@H](c12)[*:1]
Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(Cc2cccnc2)C3=O)cc1Cl Cc1cc(O)c(cc1Cl)[*:1] O=C1c2[nH]nc(c2[C@@H](c2cccc(O)c2)N1Cc1cccnc1)[*:1]
Cn1cccc1[C@H](CNC(=O)NCc1ccc(F)cc1)[NH+]1CCCC1 Cn1cccc1[*:1] O=C(NCc1ccc(F)cc1)NC[C@H]([NH+]1CCCC1)[*:1]
Cn1cccc1[C@H](CNC(=O)NCc1ccc(F)cc1)[NH+]1CCCC1 Fc1ccc(cc1)[*:1] Cn1cccc1[C@H](CNC(=O)NC[*:1])[NH+]1CCCC1
Cn1cccc1[C@H](CNC(=O)NCc1ccc(F)cc1)[NH+]1CCCC1 Fc1ccc(cc1)C[*:1] Cn1cccc1[C@H](CNC(=O)N[*:1])[NH+]1CCCC1
Cc1sc2nc(C[NH+]3CCN(C[C@@H](C#N)CCC#N)CC3)[nH]c(=O)c2c1C N#CCC[*:1] Cc1sc2nc(C[NH+]3CCN(CC3)C[C@@H](C#N)[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(C[NH+]3CCN(C[C@@H](C#N)CCC#N)CC3)[nH]c(=O)c2c1C N#CC[*:1] Cc1sc2nc(C[NH+]3CCN(CC3)C[C@@H](C#N)C[*:1])[nH]c(=O)c2c1C
CCCn1cc(C(=O)[C@H](C)OC)cn1 CCC[*:1] CO[C@@H](C)C(=O)c1cnn(c1)[*:1]
CCCn1cc(C(=O)[C@H](C)OC)cn1 CO[C@@H](C)[*:1] CCCn1cc(cn1)C(=O)[*:1]
C[C@H]1CN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@H]23)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)[*:1] C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[*:1])[C@H]3[C@@H](O)[C@@]21C
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cn[nH]c1 c1n[nH]cc1[*:1] C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N[*:1]
C[C@H](NC(=O)NCC(C)(C)C(N)=O)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H](NC(=O)NCC(C)(C)C(N)=O)c1ccc(cc1)O[*:1]
C[C@H](NC(=O)NCC(C)(C)C(N)=O)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H](NC(=O)NCC(C)(C)C(N)=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NCC(C)(C)C(N)=O)c1ccc(OC(F)F)cc1 NC(=O)[*:1] C[C@H](NC(=O)NCC(C)(C)[*:1])c1ccc(cc1)OC(F)F
C[C@H](NC(=O)NCC(C)(C)C(N)=O)c1ccc(OC(F)F)cc1 CC(C)(C(N)=O)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(cc1)OC(F)F
C[C@H](NC(=O)NCC(C)(C)C(N)=O)c1ccc(OC(F)F)cc1 CC(C)(C[*:1])C(N)=O C[C@H](NC(=O)N[*:1])c1ccc(cc1)OC(F)F
O=C(N[C@H]1CCCC[C@@H]1n1cccn1)N[C@@H]1CCc2cc(F)ccc21 c1cnn(c1)[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])N[C@@H]1CCc2cc(F)ccc21
CCCCN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1=O CCC[*:1] O=C(Nc1cc(ccc1Cl)[N+](=O)[O-])[C@H]1CC(=O)N(C1)C[*:1]
CCCCN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1=O CCCC[*:1] O=C(Nc1cc(ccc1Cl)[N+](=O)[O-])[C@H]1CC(=O)N(C1)[*:1]
CCCCN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1=O O=[N+]([O-])[*:1] CCCCN1C[C@H](CC1=O)C(=O)Nc1cc(ccc1Cl)[*:1]
O=C([O-])/C=C/c1cccc(/C=C/C(=O)[O-])n1 O=C([O-])[*:1] O=C([O-])/C=C/c1cccc(C=C[*:1])n1
O=C([O-])/C=C/c1cccc(/C=C/C(=O)[O-])n1 O=C([O-])C=C[*:1] O=C([O-])/C=C/c1cccc(n1)[*:1]
N#Cc1cccc(NNC(=O)Nc2cnn(CCN3CCOCC3)c2)c1 C1CN(CCO1)CC[*:1] N#Cc1cccc(c1)NNC(=O)Nc1cnn(c1)[*:1]
N#Cc1cccc(NNC(=O)Nc2cnn(CCN3CCOCC3)c2)c1 C1CN(CCO1)C[*:1] N#Cc1cccc(c1)NNC(=O)Nc1cnn(c1)C[*:1]
N#Cc1cccc(NNC(=O)Nc2cnn(CCN3CCOCC3)c2)c1 N#Cc1cccc(c1)[*:1] O=C(NN[*:1])Nc1cnn(c1)CCN1CCOCC1
N#Cc1cccc(NNC(=O)Nc2cnn(CCN3CCOCC3)c2)c1 C1CN(CCO1)[*:1] N#Cc1cccc(c1)NNC(=O)Nc1cnn(c1)CC[*:1]
CCNc1cc(C[NH+]2CCC(CC)(CC)C2)ccn1 CCN[*:1] CCC1(CC)CC[NH+](Cc2ccnc(c2)[*:1])C1
Cc1cnc(NC(=O)CC[C@@H](C)O)s1 C[C@@H](O)C[*:1] Cc1cnc(NC(=O)C[*:1])s1
Cc1cnc(NC(=O)CC[C@@H](C)O)s1 C[C@@H](O)[*:1] Cc1cnc(NC(=O)CC[*:1])s1
CC[C@](C)([NH3+])CN(C)[C@@H](C)COC COC[*:1] CC[C@](C)([NH3+])CN(C)[C@@H](C)[*:1]
CN(C[C@@H]1CCOC1)C(=O)Cc1ccc(F)c(F)c1 C1C[C@H](CO1)[*:1] CN(C[*:1])C(=O)Cc1ccc(F)c(F)c1
CN(C[C@@H]1CCOC1)C(=O)Cc1ccc(F)c(F)c1 C1C[C@H](CO1)C[*:1] CN(C(=O)Cc1ccc(F)c(F)c1)[*:1]
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1Cl Clc1ccccc1[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[*:1]
Cc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3)c3cccc(F)c3)cn12 c1ccc(cc1)[*:1] Cc1nnc2ccc(cn12)S(=O)(=O)N(C[*:1])c1cccc(F)c1
Cc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3)c3cccc(F)c3)cn12 c1ccc(cc1)C[*:1] Cc1nnc2ccc(cn12)S(=O)(=O)N(c1cccc(F)c1)[*:1]
Cc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3)c3cccc(F)c3)cn12 Fc1cccc(c1)[*:1] Cc1nnc2ccc(cn12)S(=O)(=O)N(Cc1ccccc1)[*:1]
O=C(c1[nH]nc(C2CC2)c1Cl)N1CCC[C@H]2CCC[C@H]21 C1CC1[*:1] O=C(c1[nH]nc(c1Cl)[*:1])N1CCC[C@H]2CCC[C@H]21
C[C@H](NC(=O)c1[nH]nc(C2CC2)c1Cl)c1ccc(F)c(F)c1 C1CC1[*:1] C[C@H](NC(=O)c1[nH]nc(c1Cl)[*:1])c1ccc(F)c(F)c1
C[C@@H]([C@@H](C)NC(=O)c1cn(Cc2cccnc2)nn1)N1CCOCC1 c1cncc(c1)[*:1] C[C@@H]([C@@H](C)NC(=O)c1cn(C[*:1])nn1)N1CCOCC1
C[C@@H]([C@@H](C)NC(=O)c1cn(Cc2cccnc2)nn1)N1CCOCC1 C[C@@H](N1CCOCC1)[*:1] C[C@@H](NC(=O)c1cn(Cc2cccnc2)nn1)[*:1]
C[C@@H]([C@@H](C)NC(=O)c1cn(Cc2cccnc2)nn1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]([C@@H](C)NC(=O)c1cn(Cc2cccnc2)nn1)[*:1]
C[C@@H]([C@@H](C)NC(=O)c1cn(Cc2cccnc2)nn1)N1CCOCC1 c1cncc(c1)C[*:1] C[C@@H]([C@@H](C)NC(=O)c1cn(nn1)[*:1])N1CCOCC1
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 CO[C@@H](C)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)NC(=O)[*:1])c1ccc(Cl)cc1
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CO[C@@H](C)C(=O)Nc1cccc(c1)NC(=O)N[C@H](C)[*:1]
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 CO[C@@H](C)C(=O)N[*:1] C[C@@H](NC(=O)Nc1cccc(c1)[*:1])c1ccc(Cl)cc1
CC(C)NC(=O)CN1CCN(C(=O)N[C@H](Cn2cncn2)c2ccccc2)CC1 c1ncn(C[*:1])n1 CC(C)NC(=O)CN1CCN(CC1)C(=O)N[C@H](c1ccccc1)[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@H](Cn2cncn2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)N[C@H](Cn1cncn1)[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@H](Cn2cncn2)c2ccccc2)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)C(=O)N[C@H](Cn1cncn1)c1ccccc1)N[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@H](Cn2cncn2)c2ccccc2)CC1 CC(C)NC(=O)[*:1] O=C(N[C@H](Cn1cncn1)c1ccccc1)N1CCN(CC1)C[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@H](Cn2cncn2)c2ccccc2)CC1 c1ncn(n1)[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)N[C@H](C[*:1])c1ccccc1
CC(C)NC(=O)CN1CCN(C(=O)N[C@H](Cn2cncn2)c2ccccc2)CC1 CC(C)NC(=O)C[*:1] O=C(N[C@H](Cn1cncn1)c1ccccc1)N1CCN(CC1)[*:1]
C[C@H](O)[C@H](C)Oc1ccc(C[NH3+])cc1[N+](=O)[O-] C[C@H](O)[C@H](C)[*:1] [NH3+]Cc1ccc(O[*:1])c(c1)[N+](=O)[O-]
C[C@H](O)[C@H](C)Oc1ccc(C[NH3+])cc1[N+](=O)[O-] C[C@H](O)[*:1] C[C@H](Oc1ccc(cc1[N+](=O)[O-])C[NH3+])[*:1]
C[C@H](O)[C@H](C)Oc1ccc(C[NH3+])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](O)[C@H](C)Oc1ccc(cc1[*:1])C[NH3+]
Cc1ccc(C2(c3noc(C[NH+]4CCN(C(=O)c5cccs5)CC4)n3)CCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cccs1)N1CC[NH+](CC1)Cc1nc(no1)C1(CCCC1)[*:1]
Cc1ccc(C2(c3noc(C[NH+]4CCN(C(=O)c5cccs5)CC4)n3)CCCC2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)C1(CCCC1)c1noc(C[NH+]2CCN(CC2)C(=O)[*:1])n1
C[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] C[C@@H](NC(N)=O)C(=O)N1CCN(CC1)[*:1]
C[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2Cl)CC1 NC(=O)N[*:1] C[C@@H](C(=O)N1CCN(CC1)c1ccccc1Cl)[*:1]
C[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2Cl)CC1 C[C@@H](NC(N)=O)[*:1] O=C(N1CCN(CC1)c1ccccc1Cl)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)c1ccccc1 Fc1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)N[C@@H](C)c1ccccc1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)[*:1]
CCN(C)S(=O)(=O)c1c(C)nn(Cc2c(F)cccc2Cl)c1C CCN(C)S(=O)(=O)[*:1] Cc1nn(Cc2c(F)cccc2Cl)c(C)c1[*:1]
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C1CCN(c2cnccn2)CC1 CC(C)CC[*:1] O=C(N[C@H]1CCC[C@@H]1[*:1])C1CCN(CC1)c1cnccn1
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C1CCN(c2cnccn2)CC1 CC(C)[*:1] O=C(N[C@H]1CCC[C@@H]1CC[*:1])C1CCN(CC1)c1cnccn1
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C1CCN(c2cnccn2)CC1 CC(C)C[*:1] O=C(N[C@H]1CCC[C@@H]1C[*:1])C1CCN(CC1)c1cnccn1
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)[*:1]
C[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cn1 Clc1ccc(cc1)[*:1] C[C@@H]([NH2+]CCCC(=O)N[*:1])c1ccc(F)cn1
C[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)[*:1]
C[C@H](OC(=O)C1CCOCC1)c1ccc(Cl)cc1 C1CC(CCO1)[*:1] C[C@H](OC(=O)[*:1])c1ccc(Cl)cc1
O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1CCCO Clc1cc(Cl)cc(c1)[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1CCCO)[*:1]
O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1CCCO OCC[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1C[*:1])-c1cc(Cl)cc(Cl)c1
O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1CCCO OCCC[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1-c1cc(Cl)cc(Cl)c1)[*:1]
O=C(CCOC1CCOCC1)NCc1cn2ccsc2n1 C1CC(CCO1)O[*:1] O=C(CC[*:1])NCc1cn2ccsc2n1
O=C(CCOC1CCOCC1)NCc1cn2ccsc2n1 C1CC(CCO1)[*:1] O=C(CCO[*:1])NCc1cn2ccsc2n1
C#CCC[C@@H]([NH3+])CCC(F)(F)F FC(F)(F)[*:1] C#CCC[C@@H]([NH3+])CC[*:1]
C#CCC[C@@H]([NH3+])CCC(F)(F)F C#CCC[*:1] [NH3+][C@@H](CCC(F)(F)F)[*:1]
C#CCC[C@@H]([NH3+])CCC(F)(F)F C#CC[*:1] [NH3+][C@@H](CCC(F)(F)F)C[*:1]
C[C@@H](CCCO)N[C@H](C[NH3+])c1cccc2ccccc12 C[C@@H](CCCO)[*:1] [NH3+]C[C@@H](N[*:1])c1cccc2ccccc12
C[C@@H](CCCO)N[C@H](C[NH3+])c1cccc2ccccc12 OCC[*:1] C[C@@H](C[*:1])N[C@H](C[NH3+])c1cccc2ccccc12
C[C@@H](CCCO)N[C@H](C[NH3+])c1cccc2ccccc12 OCCC[*:1] C[C@@H](N[C@H](C[NH3+])c1cccc2ccccc12)[*:1]
CCN(C(C)=O)C1CCC(NC(=O)C[NH3+])CC1 [NH3+]CC(=O)N[*:1] CCN(C(C)=O)C1CCC(CC1)[*:1]
O=c1[nH]c(CSc2nnnn2C2CCCC2)nc2sc3c(c12)CCCC3 C1CCC(C1)[*:1] O=c1[nH]c(CSc2nnnn2[*:1])nc2sc3CCCCc3c12
CCN(Cc1cccc(C)n1)C(=O)[C@@H]([NH3+])CC(=O)[O-] O=C([O-])[*:1] CCN(Cc1cccc(C)n1)C(=O)[C@@H]([NH3+])C[*:1]
CC(C)CO[C@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)C1 CC(C)CO[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N1CC[C@@H](C1)[*:1]
CC(C)CO[C@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)C1 CC(C)C[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N1CC[C@@H](C1)O[*:1]
CC(C)CO[C@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)C1 CC(C)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N1CC[C@@H](C1)OC[*:1]
C[S@@](=O)c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)cc1 C1CCC(C1)O[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)N[C@@H]1CCCC[C@H]1[*:1]
C[S@@](=O)c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)cc1 C[S@@](=O)[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
C[S@@](=O)c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)cc1 C1CCC(C1)[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
COc1ccc(Br)c(C(=O)NCCCNc2cnccc2C#N)c1 N#Cc1ccncc1[*:1] COc1ccc(Br)c(c1)C(=O)NCCCN[*:1]
CCc1cccc(CC)c1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21 O=C([O-])[*:1] CCc1cccc(CC)c1N1/C(=N/C(=O)CCC[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
CCc1cccc(CC)c1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21 O=C([O-])CCC[*:1] CCc1cccc(CC)c1N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
CCc1cccc(CC)c1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21 O=C([O-])C[*:1] CCc1cccc(CC)c1N1/C(=N/C(=O)CC[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
CCc1cccc(CC)c1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21 O=C([O-])CC[*:1] CCc1cccc(CC)c1N1/C(=N/C(=O)C[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
CC(C)(C)[C@H](CBr)CN1C(=O)C(C)(C)S1(=O)=O CC(C)(C)[*:1] CC1(C)C(=O)N(C[C@@H](CBr)[*:1])S1(=O)=O
C[C@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C[C@@H]1O Brc1cccc(c1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1cnn(c1)[*:1]
COc1cc(F)cc(CNC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)c1 COc1cc(F)cc(c1)[*:1] Cc1cc(C[C@@H](C)NC(=O)NC[*:1])n(n1)-c1ccccc1
COc1cc(F)cc(CNC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cc(F)cc(c1)CNC(=O)N[C@H](C)Cc1cc(C)nn1[*:1]
CCC[NH2+]C/C(=C\c1ccccn1)C(C)C CCC[*:1] CC(C)/C(=C/c1ccccn1)C[NH2+][*:1]
CCC[NH2+]C/C(=C\c1ccccn1)C(C)C CC(C)[*:1] CCC[NH2+]C/C(=C\c1ccccn1)[*:1]
Nc1ccc(C(F)(F)F)cc1C(=O)N1CCC(O)CC1 FC(F)(F)[*:1] Nc1ccc(cc1C(=O)N1CCC(O)CC1)[*:1]
CS[C@H](CO)[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] CS[C@H](CO)[C@H](C)NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CSCC(=O)N[*:1])c(C)c1
Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CSCC(=O)N[*:1])Nc1ccc(F)cc1
COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(Br)cc1)CC(=O)N2 Brc1ccc(cc1)[*:1] COc1cc2NC(=O)C[C@H](c2c(OC)c1OC)[*:1]
C[C@@H](SCC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1)C(=O)NC1CC1 C[C@@H](C(=O)NC1CC1)[*:1] O=C1N=C(CS[*:1])N=C2S[C@H]3CCCCC3=C12
C[C@@H](SCC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1)C(=O)NC1CC1 C1CC1[*:1] C[C@@H](SCC1=NC(=O)C2C(=N1)S[C@H]1CCCCC=21)C(=O)N[*:1]
C[C@@H](SCC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@@H](SCC1=NC(=O)C2C(=N1)S[C@H]1CCCCC=21)[*:1]
CC(C)CCOc1cccc(NC(=O)c2cccs2)c1 CC(C)C[*:1] O=C(Nc1cccc(c1)OC[*:1])c1cccs1
CC(C)CCOc1cccc(NC(=O)c2cccs2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)OCC[*:1])c1cccs1
CC(C)CCOc1cccc(NC(=O)c2cccs2)c1 CC(C)CCO[*:1] O=C(Nc1cccc(c1)[*:1])c1cccs1
CC(C)CCOc1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] CC(C)CCOc1cccc(c1)NC(=O)[*:1]
CC(C)CCOc1cccc(NC(=O)c2cccs2)c1 CC(C)CC[*:1] O=C(Nc1cccc(c1)O[*:1])c1cccs1
COc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C(N)=O)cc2)cc1 COc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1C[*:1]
COc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] COc1ccc(cc1)C[C@@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
Cc1cccc2[nH+]c(CNC(=O)Nc3cccc(Br)c3)cn12 Brc1cccc(c1)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N[*:1]
O=C(Nc1ccccc1C(F)(F)F)C(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccccc1C(F)(F)F)C(C(F)(F)F)[*:1]
O=C(Nc1ccccc1C(F)(F)F)C(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])C(C(F)(F)F)C(F)(F)F
CCc1ccc(CCNC(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)[*:1] CCc1ccc(cc1)CCNC(=O)N[C@H](C)[*:1]
CCc1ccc(CCNC(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)CCNC(=O)N[C@H](C)C(=O)N[*:1]
Nc1nnc(SCC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)s1 Nc1nnc(S[*:1])s1 O=C(C[*:1])N/N=C\c1ccc(Cl)c(Cl)c1
Nc1nnc(SCC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)s1 Nc1nnc(s1)[*:1] O=C(CS[*:1])N/N=C\c1ccc(Cl)c(Cl)c1
CCCCCNc1cncc(C(=O)[O-])n1 CCCC[*:1] O=C([O-])c1cncc(n1)NC[*:1]
CCCCCNc1cncc(C(=O)[O-])n1 O=C([O-])[*:1] CCCCCNc1cncc(n1)[*:1]
CCCCCNc1cncc(C(=O)[O-])n1 CCCCC[*:1] O=C([O-])c1cncc(n1)N[*:1]
CCCCCNc1cncc(C(=O)[O-])n1 CCC[*:1] O=C([O-])c1cncc(n1)NCC[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCc2ccccn2)C1 c1ccc(C[*:1])nc1 CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCc2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)NCC[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCc2ccccn2)C1 CC(C)(C)[*:1] O=C(NCCc1ccccn1)[C@H]1CCCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCc2ccccn2)C1 c1ccc(CC[*:1])nc1 CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COC(=O)CN(C1CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 C1CC1[*:1] COC(=O)CN(S(=O)(=O)c1cc(Cl)cc(Cl)c1)[*:1]
COC(=O)CN(C1CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 COC(=O)C[*:1] O=S(=O)(c1cc(Cl)cc(Cl)c1)N(C1CC1)[*:1]
COC(=O)CN(C1CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 COC(=O)[*:1] O=S(=O)(c1cc(Cl)cc(Cl)c1)N(C[*:1])C1CC1
CCOC(=O)N1CCC(Nc2cnn(CC(C)C)c2)CC1 CC(C)C[*:1] CCOC(=O)N1CCC(CC1)Nc1cnn(c1)[*:1]
CCOC(=O)N1CCC(Nc2cnn(CC(C)C)c2)CC1 CC(C)[*:1] CCOC(=O)N1CCC(CC1)Nc1cnn(c1)C[*:1]
Cc1c(CC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc2cc3oc4c(c3cc12)CCCC4 O=C([O-])[*:1] Cc1c(CC(=O)N[C@@H](C)[*:1])c(=O)oc2cc3oc4CCCCc4c3cc12
C/C=C/C(=O)NCC(=O)Nc1cccc(C)c1C CC=C[*:1] Cc1cccc(NC(=O)CNC(=O)[*:1])c1C
C/C=C/C(=O)NCC(=O)Nc1cccc(C)c1C C/C=C/C(=O)N[*:1] Cc1cccc(NC(=O)C[*:1])c1C
COCc1cc(NC(=O)N(C[C@H]2CCOC2)C2CC2)ncn1 C1C[C@@H](CO1)[*:1] COCc1cc(ncn1)NC(=O)N(C[*:1])C1CC1
COCc1cc(NC(=O)N(C[C@H]2CCOC2)C2CC2)ncn1 COC[*:1] O=C(Nc1cc(ncn1)[*:1])N(C[C@H]1CCOC1)C1CC1
COCc1cc(NC(=O)N(C[C@H]2CCOC2)C2CC2)ncn1 C1CC1[*:1] COCc1cc(ncn1)NC(=O)N(C[C@H]1CCOC1)[*:1]
COCc1cc(NC(=O)N(C[C@H]2CCOC2)C2CC2)ncn1 C1C[C@@H](CO1)C[*:1] COCc1cc(ncn1)NC(=O)N(C1CC1)[*:1]
CCCn1cc(NC(=O)N[C@H](CO)c2ccc(Cl)cc2)cn1 Clc1ccc(cc1)[*:1] CCCn1cc(cn1)NC(=O)N[C@H](CO)[*:1]
CCCn1cc(NC(=O)N[C@H](CO)c2ccc(Cl)cc2)cn1 CCC[*:1] O=C(Nc1cnn(c1)[*:1])N[C@H](CO)c1ccc(Cl)cc1
CC[NH2+][C@@H](c1cccc(OC(C)C)c1)[C@@H]1CSCCO1 CC(C)[*:1] CC[NH2+][C@@H](c1cccc(c1)O[*:1])[C@@H]1CSCCO1
CC[NH2+][C@@H](c1cccc(OC(C)C)c1)[C@@H]1CSCCO1 CC(C)O[*:1] CC[NH2+][C@@H](c1cccc(c1)[*:1])[C@@H]1CSCCO1
N#CCc1ccc(Oc2ccc(F)cc2C=O)cc1 N#CC[*:1] O=Cc1cc(F)ccc1Oc1ccc(cc1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)Oc3ccc(F)c(F)c3)cc2C[C@@H]1C Fc1ccc(cc1F)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)O[*:1]
CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2cc(C(N)=O)cs2)C1 CC(C)NS(=O)(=O)[*:1] NC(=O)c1csc(c1)CN1CC[C@H](C1)[*:1]
CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2cc(C(N)=O)cs2)C1 CC(C)[*:1] NC(=O)c1csc(c1)CN1CC[C@H](C1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2cc(C(N)=O)cs2)C1 NC(=O)[*:1] CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2cc(cs2)[*:1])C1
COc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)Cn1c(nc(C)cc1=O)[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)CCSc1ccccn1 CNC(=O)[*:1] O=C(CCSc1ccccn1)N1CCC[C@H]1[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)CCSc1ccccn1 c1ccc(nc1)[*:1] CNC(=O)[C@@H]1CCCN1C(=O)CCS[*:1]
O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] O=C(NCCC[NH+]1CCCC1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccsc1[C@@H]1C[C@H]1C(=O)[O-] O=C([O-])[*:1] Cc1ccsc1[C@@H]1C[C@@H]1[*:1]
CCc1ccc(N2C[C@H](C(=O)Nc3nc(C4=CC(C(=O)OC)=NC4)cs3)CC2=O)cc1 CCc1ccc(cc1)[*:1] COC(=O)C1C=C(CN=1)c1csc(n1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOC(=O)c1cc2ccccc2cc(C(=O)OCC)c1=O CCOC(=O)[*:1] CCOC(=O)c1cc2ccccc2cc(c1=O)[*:1]
O=C(Nc1cccc2ncccc12)c1cc(Br)ccc1-n1cnnn1 c1nnnn1[*:1] O=C(Nc1cccc2ncccc12)c1cc(Br)ccc1[*:1]
NC(=O)C[NH+]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 NC(=O)[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCC[NH+](CC1)C[*:1]
NC(=O)C[NH+]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 NC(=O)C[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCC[NH+](CC1)[*:1]
Cn1ccnc1C(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 c1ccc(cc1)CO[*:1] Cn1ccnc1C(=O)c1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
Cn1ccnc1C(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 Cn1ccnc1[*:1] O=C(Nc1ccc(cc1)C(=O)[*:1])c1cccc(c1)OCc1ccccc1
Cn1ccnc1C(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 c1ccc(cc1)[*:1] Cn1ccnc1C(=O)c1ccc(cc1)NC(=O)c1cccc(c1)OC[*:1]
Cn1ccnc1C(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 Cn1ccnc1C(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)OCc1ccccc1
Cn1ccnc1C(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 c1ccc(cc1)C[*:1] Cn1ccnc1C(=O)c1ccc(cc1)NC(=O)c1cccc(c1)O[*:1]
COc1cccc2cc(C(=O)Nc3ccnn3C(C)C)oc12 CC(C)[*:1] COc1cccc2cc(oc12)C(=O)Nc1ccnn1[*:1]
COc1ccc(Cl)cc1C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C CC(C)[*:1] COc1ccc(Cl)cc1C(=O)N[C@@H](C(=O)N1CCOCC1)[*:1]
COc1ccc(Cl)cc1C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C O=C(N1CCOCC1)[*:1] COc1ccc(Cl)cc1C(=O)N[C@@H](C(C)C)[*:1]
Cc1ccc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] CS(=O)(=O)N(CCc1ccccc1)CC(=O)N[*:1]
Cc1ccc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c(C)c1 c1ccc(cc1)CC[*:1] Cc1ccc(NC(=O)CN(S(C)(=O)=O)[*:1])c(C)c1
Cc1ccc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)CN(CC[*:1])S(C)(=O)=O)c(C)c1
Cc1ccc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)CN(C[*:1])S(C)(=O)=O)c(C)c1
CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]3C(=O)CCCC3=N2)c1 Clc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)CSC1N=C2CCCC(=O)[C@H]2[C@H](C=1C#N)[*:1]
CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]3C(=O)CCCC3=N2)c1 CC(=O)c1cccc(c1)[*:1] N#CC1=C(N=C2CCCC(=O)[C@H]2[C@@H]1c1ccc(Cl)cc1)SCC(=O)N[*:1]
CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]3C(=O)CCCC3=N2)c1 CC(=O)[*:1] N#CC1=C(N=C2CCCC(=O)[C@H]2[C@@H]1c1ccc(Cl)cc1)SCC(=O)Nc1cccc(c1)[*:1]
COc1ccccc1C(=O)Nc1cccc(NC(=O)CCc2nncn2C)c1 Cn1cnnc1C[*:1] COc1ccccc1C(=O)Nc1cccc(c1)NC(=O)C[*:1]
COc1ccccc1C(=O)Nc1cccc(NC(=O)CCc2nncn2C)c1 Cn1cnnc1CC[*:1] COc1ccccc1C(=O)Nc1cccc(c1)NC(=O)[*:1]
COc1ccccc1C(=O)Nc1cccc(NC(=O)CCc2nncn2C)c1 Cn1cnnc1[*:1] COc1ccccc1C(=O)Nc1cccc(c1)NC(=O)CC[*:1]
COc1ccccc1C(=O)Nc1cccc(NC(=O)CCc2nncn2C)c1 COc1ccccc1[*:1] Cn1cnnc1CCC(=O)Nc1cccc(c1)NC(=O)[*:1]
Cc1ccc(CC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1O Cc1ccc(cc1O)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)C[*:1]
Cc1ccc(CC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1O CC(C)(C)[*:1] Cc1ccc(cc1O)CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)O[*:1]
Cc1ccc(CC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1O CC(C)(C)OC(=O)NC[*:1] Cc1ccc(cc1O)CC(=O)N[C@H]1CCCC[C@@H]1[*:1]
Cc1ccc(CC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1O CC(C)(C)OC(=O)N[*:1] Cc1ccc(cc1O)CC(=O)N[C@H]1CCCC[C@H]1C[*:1]
Cc1ccc(CC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1O Cc1ccc(cc1O)C[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)[*:1]
CC(C)(O)CC[NH2+][C@@H](C1CCCC1)C(F)(F)F C1CCC(C1)[*:1] CC(C)(O)CC[NH2+][C@@H](C(F)(F)F)[*:1]
CC(C)(O)CC[NH2+][C@@H](C1CCCC1)C(F)(F)F FC(F)(F)[*:1] CC(C)(O)CC[NH2+][C@@H](C1CCCC1)[*:1]
CC(C)(O)CC[NH2+][C@@H](C1CCCC1)C(F)(F)F CC(C)(O)C[*:1] FC(F)(F)[C@@H]([NH2+]C[*:1])C1CCCC1
CC(C)(O)CC[NH2+][C@@H](C1CCCC1)C(F)(F)F CC(C)(O)[*:1] FC(F)(F)[C@@H]([NH2+]CC[*:1])C1CCCC1
COCc1nc(CN2CCc3ccc(S(=O)(=O)N(C)C)cc32)cs1 COCc1nc(cs1)[*:1] CN(C)S(=O)(=O)c1ccc2CCN(C[*:1])c2c1
COCc1nc(CN2CCc3ccc(S(=O)(=O)N(C)C)cc32)cs1 COC[*:1] CN(C)S(=O)(=O)c1ccc2CCN(Cc3csc(n3)[*:1])c2c1
COCc1nc(CN2CCc3ccc(S(=O)(=O)N(C)C)cc32)cs1 CN(C)S(=O)(=O)[*:1] COCc1nc(cs1)CN1CCc2ccc(cc21)[*:1]
CCC(CC)N(C)c1ncccc1C#N CCC(CC)[*:1] CN(c1ncccc1C#N)[*:1]
CC[C@@]1(C(=O)OC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 COc1cccc(c1)[*:1] CC[C@]1(N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C(=O)[C@H]21)[*:1])C(=O)OC
CC[C@@]1(C(=O)OC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 Fc1ccccc1[*:1] CC[C@]1(N[C@@H]([C@H]2C(=O)N(C(=O)[C@H]21)c1cccc(c1)OC)[*:1])C(=O)OC
CC[C@@]1(C(=O)OC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 COC(=O)[*:1] CC[C@]1(N[C@@H](c2ccccc2F)[C@H]2C(=O)N(C(=O)[C@H]21)c1cccc(c1)OC)[*:1]
CCc1nn(C)cc1CNC(=O)Nc1nnc(Cc2ccc(C)cc2)s1 Cc1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)Nc1nnc(C[*:1])s1
CCc1nn(C)cc1CNC(=O)Nc1nnc(Cc2ccc(C)cc2)s1 Cc1ccc(cc1)C[*:1] CCc1nn(C)cc1CNC(=O)Nc1nnc(s1)[*:1]
CCc1nn(C)cc1CNC(=O)Nc1nnc(Cc2ccc(C)cc2)s1 CCc1nn(C)cc1[*:1] Cc1ccc(cc1)Cc1nnc(NC(=O)NC[*:1])s1
CO[C@@H](NC(=O)Nc1ccccc1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CO[C@@H](NC(=O)Nc1ccccc1)[*:1]
CC(C)c1noc([C@@H](C)SCc2nc(-c3ccco3)no2)n1 c1coc(c1)[*:1] CC(C)c1noc(n1)[C@@H](C)SCc1nc(no1)[*:1]
CC(C)c1noc([C@@H](C)SCc2nc(-c3ccco3)no2)n1 CC(C)[*:1] C[C@@H](SCc1nc(no1)-c1ccco1)c1nc(no1)[*:1]
O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCCC1 Clc1ccc(cc1)[*:1] O=C(NC[C@H](c1ccco1)S(=O)(=O)[*:1])C(=O)NC1CCCCCC1
O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCCC1 c1coc(c1)[*:1] O=C(NC[C@H](S(=O)(=O)c1ccc(Cl)cc1)[*:1])C(=O)NC1CCCCCC1
O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCCC1 O=S(=O)(c1ccc(Cl)cc1)[*:1] O=C(NC[C@H](c1ccco1)[*:1])C(=O)NC1CCCCCC1
CC(C)(C)[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)(C)[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cccc(c1)[*:1]
CC(C)(C)[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cccc(C(F)(F)F)c1 CC(C)(C)[*:1] O=C1C[C@@H](C(=O)N[C@H](c2cccc(c2)C(F)(F)F)[*:1])c2ccccc2N1
O=S(=O)(CC1CCC1)[N-]c1ccc(-n2cncn2)c(Cl)c1 C1CC(C1)[*:1] O=S(=O)(C[*:1])[N-]c1ccc(c(Cl)c1)-n1cncn1
O=S(=O)(CC1CCC1)[N-]c1ccc(-n2cncn2)c(Cl)c1 c1ncn(n1)[*:1] O=S(=O)(CC1CCC1)[N-]c1ccc(c(Cl)c1)[*:1]
O=S(=O)(CC1CCC1)[N-]c1ccc(-n2cncn2)c(Cl)c1 C1CC(C1)C[*:1] O=S(=O)([N-]c1ccc(c(Cl)c1)-n1cncn1)[*:1]
CCN(Cc1ccccn1)C(=O)Nc1cccc(-c2nnco2)c1 c1nnc(o1)[*:1] CCN(Cc1ccccn1)C(=O)Nc1cccc(c1)[*:1]
CCN(Cc1ccccn1)C(=O)Nc1cccc(-c2nnco2)c1 c1ccc(C[*:1])nc1 CCN(C(=O)Nc1cccc(c1)-c1nnco1)[*:1]
CCN(Cc1ccccn1)C(=O)Nc1cccc(-c2nnco2)c1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)Nc1cccc(c1)-c1nnco1
Cc1ccc(C(=O)N2CCOCC2)cc1NCC(=O)N1CCC[C@H](C)C1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1NCC(=O)N1CCC[C@H](C)C1)[*:1]
Cc1c([C@H]2[C@H](C(=O)[O-])OCC(=O)N2CC(C)C)cnn1C CC(C)[*:1] Cc1c(cnn1C)[C@H]1[C@@H](OCC(=O)N1C[*:1])C(=O)[O-]
Cc1c([C@H]2[C@H](C(=O)[O-])OCC(=O)N2CC(C)C)cnn1C O=C([O-])[*:1] Cc1c(cnn1C)[C@H]1[C@H](OCC(=O)N1CC(C)C)[*:1]
Cc1c([C@H]2[C@H](C(=O)[O-])OCC(=O)N2CC(C)C)cnn1C CC(C)C[*:1] Cc1c(cnn1C)[C@H]1[C@@H](OCC(=O)N1[*:1])C(=O)[O-]
Cc1c([C@H]2[C@H](C(=O)[O-])OCC(=O)N2CC(C)C)cnn1C Cc1c(cnn1C)[*:1] CC(C)CN1C(=O)CO[C@@H](C(=O)[O-])[C@@H]1[*:1]
COCCCNC(=O)c1nnc(C(=O)Nc2ccc(F)cc2)s1 COCC[*:1] O=C(NC[*:1])c1nnc(s1)C(=O)Nc1ccc(F)cc1
COCCCNC(=O)c1nnc(C(=O)Nc2ccc(F)cc2)s1 COC[*:1] O=C(NCC[*:1])c1nnc(s1)C(=O)Nc1ccc(F)cc1
COCCCNC(=O)c1nnc(C(=O)Nc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] COCCCNC(=O)c1nnc(s1)C(=O)N[*:1]
COCCCNC(=O)c1nnc(C(=O)Nc2ccc(F)cc2)s1 COCCC[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)C(=O)N[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H](c1ccccc1)[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H](c1ccccn1)[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H](c1ccccc1)c1ccccn1 Clc1ccc(cc1Cl)[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)N[*:1]
CC(=O)[C@H](C)n1c([C@@H]2CC(=O)N(c3cccc(Br)c3)C2)nc2ccccc21 CC(=O)[*:1] C[C@H](n1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)c1cccc(Br)c1)[*:1]
CC(=O)[C@H](C)n1c([C@@H]2CC(=O)N(c3cccc(Br)c3)C2)nc2ccccc21 CC(=O)[C@H](C)[*:1] O=C1C[C@H](CN1c1cccc(Br)c1)c1nc2ccccc2n1[*:1]
CC(=O)[C@H](C)n1c([C@@H]2CC(=O)N(c3cccc(Br)c3)C2)nc2ccccc21 Brc1cccc(c1)[*:1] CC(=O)[C@H](C)n1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
COC[C@@H](O)CC[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C COC[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC[C@H](O)[*:1]
COC[C@@H](O)CC[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C COC[C@@H](O)C[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[*:1]
COC[C@@H](O)CC[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C COC[C@@H](O)[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC[*:1]
CCC[C@@H](C)[C@H](CC)[NH2+][C@@H]1CCN(C(C)C)C1=O CC(C)[*:1] CCC[C@@H](C)[C@H](CC)[NH2+][C@@H]1CCN(C1=O)[*:1]
CCC[C@@H](C)[C@H](CC)[NH2+][C@@H]1CCN(C(C)C)C1=O CCC[*:1] CC[C@H]([NH2+][C@@H]1CCN(C1=O)C(C)C)[C@H](C)[*:1]
CCC[C@@H](C)[C@H](CC)[NH2+][C@@H]1CCN(C(C)C)C1=O CCC[C@@H](C)[*:1] CC[C@H]([NH2+][C@@H]1CCN(C1=O)C(C)C)[*:1]
Cc1c(C(=O)N(C)CCc2ccccn2)oc2c(Cl)cccc12 c1ccc(C[*:1])nc1 Cc1c(oc2c(Cl)cccc12)C(=O)N(C)C[*:1]
Cc1c(C(=O)N(C)CCc2ccccn2)oc2c(Cl)cccc12 c1ccc(nc1)[*:1] Cc1c(oc2c(Cl)cccc12)C(=O)N(C)CC[*:1]
Cc1ccccc1Cn1cc(C(=O)NCc2csc(N)n2)nn1 Cc1ccccc1[*:1] Nc1nc(cs1)CNC(=O)c1cn(C[*:1])nn1
Cc1ccccc1Cn1cc(C(=O)NCc2csc(N)n2)nn1 Nc1nc(cs1)[*:1] Cc1ccccc1Cn1cc(nn1)C(=O)NC[*:1]
Cc1ccccc1Cn1cc(C(=O)NCc2csc(N)n2)nn1 Nc1nc(cs1)C[*:1] Cc1ccccc1Cn1cc(nn1)C(=O)N[*:1]
C[NH2+][C@H](c1cccc(OC(C)C)c1)C1CCCC1 CC(C)[*:1] C[NH2+][C@H](c1cccc(c1)O[*:1])C1CCCC1
C[NH2+][C@H](c1cccc(OC(C)C)c1)C1CCCC1 CC(C)O[*:1] C[NH2+][C@H](c1cccc(c1)[*:1])C1CCCC1
C[NH2+][C@H](c1cccc(OC(C)C)c1)C1CCCC1 C1CCC(C1)[*:1] C[NH2+][C@H](c1cccc(c1)OC(C)C)[*:1]
CC(C)c1[nH]ncc1C(=O)OCc1nn(-c2ccc(F)cc2)c2c1CCC2 CC(C)[*:1] O=C(OCc1nn(-c2ccc(F)cc2)c2CCCc12)c1cn[nH]c1[*:1]
CC(C)c1[nH]ncc1C(=O)OCc1nn(-c2ccc(F)cc2)c2c1CCC2 CC(C)c1[nH]ncc1[*:1] O=C(OCc1nn(-c2ccc(F)cc2)c2CCCc12)[*:1]
CC(C)c1[nH]ncc1C(=O)OCc1nn(-c2ccc(F)cc2)c2c1CCC2 Fc1ccc(cc1)[*:1] CC(C)c1[nH]ncc1C(=O)OCc1nn(c2CCCc12)[*:1]
COC(=O)c1ccc(/C=N\Nc2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(/C=N\Nc2ccccc2[*:1])cc1
COC(=O)c1ccc(/C=N\Nc2ccccc2[N+](=O)[O-])cc1 COC(=O)[*:1] O=[N+]([O-])c1ccccc1N/N=C\c1ccc(cc1)[*:1]
Cc1nc(C)c(CNC(=O)NCCN2CCOCC2)s1 C1CN(CCO1)[*:1] Cc1nc(C)c(CNC(=O)NCC[*:1])s1
Fc1cccc(OC[C@@H]2CO2)c1 C1O[C@@H]1[*:1] Fc1cccc(c1)OC[*:1]
Fc1cccc(OC[C@@H]2CO2)c1 C1O[C@@H]1C[*:1] Fc1cccc(c1)O[*:1]
Cc1ccccc1CC(=O)Nc1ccc(OC(C)C)cc1 Cc1ccccc1[*:1] CC(C)Oc1ccc(cc1)NC(=O)C[*:1]
Cc1ccccc1CC(=O)Nc1ccc(OC(C)C)cc1 CC(C)O[*:1] Cc1ccccc1CC(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1CC(=O)Nc1ccc(OC(C)C)cc1 CC(C)[*:1] Cc1ccccc1CC(=O)Nc1ccc(cc1)O[*:1]
COc1cc(OC)c(N2C[C@@H](C(=O)Nc3c(C)cccc3C)CC2=O)cc1Cl Cc1cccc(C)c1[*:1] COc1cc(OC)c(cc1Cl)N1C[C@H](CC1=O)C(=O)N[*:1]
CC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 CC(=O)N[*:1] O=C(/C=C/c1ccccc1Cl)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)C(=O)C=C[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)C1 C1Cc2nc(sc2C1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1cccc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)c1 O=C([O-])[*:1] Cc1cccc(c1)[C@@H]1[NH2+][C@H](CS1)[*:1]
CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O CCO[*:1] CC(=O)c1ccc(c(c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)[*:1]
CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O CC(=O)[*:1] CCOc1ccc(cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)[*:1]
Cc1nsnc1COc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 Cc1nsnc1CO[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(c1)[*:1]
Cc1nsnc1COc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 Cc1nsnc1C[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(c1)O[*:1]
Cc1nsnc1COc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 Cc1nsnc1[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(c1)OC[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCSC[C@H]1CN1CCOCC1 O=[N+]([O-])[*:1] O=S(=O)(c1ccccc1[*:1])N1CCCSC[C@H]1CN1CCOCC1
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCSC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCSC[C@@H]1[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCSC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCSC[C@H]1C[*:1]
CCc1nnc(NC(=O)CS(=O)(=O)c2ccc(Br)c3ccccc23)s1 CCc1nnc(s1)[*:1] O=C(CS(=O)(=O)c1ccc(Br)c2ccccc12)N[*:1]
CC(C)(C)[C@@H](NCc1cc(=O)n2ccsc2[nH+]1)c1cccs1 CC(C)(C)[*:1] O=c1cc(CN[C@@H](c2cccs2)[*:1])[nH+]c2sccn12
CC(C)(C)[C@@H](NCc1cc(=O)n2ccsc2[nH+]1)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@@H](NCc1cc(=O)n2ccsc2[nH+]1)[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1C Cc1ccccc1[C@@H](C)[*:1] CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1C CCN(CC)C(=O)[*:1] Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1C Cc1ccccc1[*:1] CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N[C@H](C)[*:1]
CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccc(C)cc2)n1C)c1ccccc1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)-c1nnc(S[C@@H](c2ccccc2)[*:1])n1C
CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccc(C)cc2)n1C)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccc(C)cc2)n1C)[*:1]
CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccc(C)cc2)n1C)c1ccccc1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)[C@@H](Sc1nnc(n1C)[*:1])c1ccccc1
C/[NH+]=C(/NCCC1=CCCCC1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] C/[NH+]=C(/NCCC1=CCCCC1)N1CCN(CC1)[*:1]
CCNC(=O)C1CCN(C(=O)NCc2csc3ccccc23)CC1 CCNC(=O)[*:1] O=C(NCc1csc2ccccc12)N1CCC(CC1)[*:1]
CCSc1ccccc1OC(=O)Cc1csc(-c2ccoc2)n1 CCS[*:1] O=C(Cc1csc(n1)-c1ccoc1)Oc1ccccc1[*:1]
CCSc1ccccc1OC(=O)Cc1csc(-c2ccoc2)n1 c1cc(co1)[*:1] CCSc1ccccc1OC(=O)Cc1csc(n1)[*:1]
CC(C)(C)c1cc(NC(=O)NCC2CCC(C(N)=O)CC2)no1 NC(=O)[*:1] CC(C)(C)c1cc(no1)NC(=O)NCC1CCC(CC1)[*:1]
CC(C)(C)c1cc(NC(=O)NCC2CCC(C(N)=O)CC2)no1 CC(C)(C)[*:1] NC(=O)C1CCC(CC1)CNC(=O)Nc1cc(on1)[*:1]
C=CCCC[C@@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 O=C([O-])[*:1] C=CCCC[C@]1(CCCN(C1)C(=O)OC(C)(C)C)[*:1]
C=CCCC[C@@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 C=CCC[*:1] CC(C)(C)OC(=O)N1CCC[C@@](C1)(C[*:1])C(=O)[O-]
C=CCCC[C@@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 C=CC[*:1] CC(C)(C)OC(=O)N1CCC[C@](CC[*:1])(C1)C(=O)[O-]
C=CCCC[C@@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C=CCCC[C@]1(CCCN(C1)C(=O)O[*:1])C(=O)[O-]
C=CCCC[C@@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 C=CCCC[*:1] CC(C)(C)OC(=O)N1CCC[C@@](C1)(C(=O)[O-])[*:1]
CCOc1ccccc1NC(=O)[C@@H](C)c1ccc(Br)s1 CCO[*:1] C[C@H](C(=O)Nc1ccccc1[*:1])c1ccc(Br)s1
CCOc1ccccc1NC(=O)[C@@H](C)c1ccc(Br)s1 Brc1ccc(s1)[*:1] CCOc1ccccc1NC(=O)[C@@H](C)[*:1]
O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc12)[NH+]1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc12)[NH+]1CCN(CC1)[*:1]
Cc1ccc(C(C)C)c(OCCn2c(C[NH+]3CCOCC3)nc3ccccc32)c1 CC(C)[*:1] Cc1ccc(c(c1)OCCn1c(C[NH+]2CCOCC2)nc2ccccc21)[*:1]
COc1ccc(Br)cc1N[C@H](C)C(=O)NC(=O)NC(C)C CC(C)[*:1] COc1ccc(Br)cc1N[C@H](C)C(=O)NC(=O)N[*:1]
Cc1c(C(=O)Nc2cc(C(C)(C)C)nn2C)nnn1-c1ccccc1 CC(C)(C)[*:1] Cc1c(nnn1-c1ccccc1)C(=O)Nc1cc(nn1C)[*:1]
Cc1c(C(=O)Nc2cc(C(C)(C)C)nn2C)nnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)Nc1cc(nn1C)C(C)(C)C
C[C@@H](C(=O)Nc1cc(F)cc(F)c1)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1cc(F)cc(F)c1)S(=O)(=O)[*:1]
CC(C)c1ccc(NC(=O)Cn2nc3c4scc(-c5ccc(F)cc5)c4ncn3c2=O)cc1 CC(C)[*:1] O=C(Cn1nc2c3scc(-c4ccc(F)cc4)c3ncn2c1=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)Cn2nc3c4scc(-c5ccc(F)cc5)c4ncn3c2=O)cc1 Fc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)Cn1nc2c3scc(c3ncn2c1=O)[*:1]
CC(C)c1ccc(NC(=O)Cn2nc3c4scc(-c5ccc(F)cc5)c4ncn3c2=O)cc1 CC(C)c1ccc(cc1)[*:1] O=C(Cn1nc2c3scc(-c4ccc(F)cc4)c3ncn2c1=O)N[*:1]
CC[C@](C)(NCc1nc(Cc2ccccc2)no1)c1nccs1 c1ccc(cc1)[*:1] CC[C@](C)(NCc1nc(C[*:1])no1)c1nccs1
CC[C@](C)(NCc1nc(Cc2ccccc2)no1)c1nccs1 c1csc(n1)[*:1] CC[C@](C)(NCc1nc(Cc2ccccc2)no1)[*:1]
CC[C@](C)(NCc1nc(Cc2ccccc2)no1)c1nccs1 c1ccc(cc1)C[*:1] CC[C@](C)(NCc1nc(no1)[*:1])c1nccs1
CCOC(=O)[C@](C)(Cc1ccccc1)NC(=O)c1c[nH]c2cccc(F)c12 c1ccc(cc1)[*:1] CCOC(=O)[C@](C)(C[*:1])NC(=O)c1c[nH]c2cccc(F)c12
CCOC(=O)[C@](C)(Cc1ccccc1)NC(=O)c1c[nH]c2cccc(F)c12 CCOC(=O)[*:1] C[C@](Cc1ccccc1)(NC(=O)c1c[nH]c2cccc(F)c12)[*:1]
CCOC(=O)[C@](C)(Cc1ccccc1)NC(=O)c1c[nH]c2cccc(F)c12 c1ccc(cc1)C[*:1] CCOC(=O)[C@](C)(NC(=O)c1c[nH]c2cccc(F)c12)[*:1]
C[C@@H]([NH2+][C@H](C)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N1CCOCC1 O=[N+]([O-])[*:1] C[C@@H]([NH2+][C@H](C)c1c[nH]c2ccc(cc12)[*:1])C(=O)N1CCOCC1
C[C@@H]([NH2+][C@H](C)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1c[nH]c2ccc(cc12)[N+](=O)[O-]
CC(C)(C)OC(=O)N1CC(CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 CC(C)(C)[*:1] O=C(CC1CN(C1)C(=O)O[*:1])N1CCCC[C@@H](C1)[NH+]1CCCC1
CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1 CC(C)[*:1] CN1C[C@H](CC1=O)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)[*:1]
COc1cccc(NC(=O)C(=O)NCCc2cn3ccccc3n2)c1 COc1cccc(c1)[*:1] O=C(NCCc1cn2ccccc2n1)C(=O)N[*:1]
C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccc(cc1)NC(=O)[*:1]
C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccc(cc1)[*:1]
CCCCN(CC)C(=O)c1cnc([C@@H]2CCCO2)s1 CCCC[*:1] CCN(C(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
CCCCN(CC)C(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CCCCN(CC)C(=O)c1cnc(s1)[*:1]
CCCCN(CC)C(=O)c1cnc([C@@H]2CCCO2)s1 CCC[*:1] CCN(C[*:1])C(=O)c1cnc(s1)[C@@H]1CCCO1
Cc1ccccc1CCNC(=O)C[NH+](C)CC(N)=O NC(=O)[*:1] Cc1ccccc1CCNC(=O)C[NH+](C)C[*:1]
Cc1ccccc1CCNC(=O)C[NH+](C)CC(N)=O NC(=O)C[*:1] Cc1ccccc1CCNC(=O)C[NH+](C)[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCn2c(nn(C)c2=O)C1 C[C@@H]1CCCC[C@@H]1[*:1] C[C@H](C(=O)N[*:1])N1CCn2c(C1)nn(C)c2=O
O=C(NC1CCN(C(=O)c2cccs2)CC1)c1cccnc1 c1cncc(c1)[*:1] O=C(c1cccs1)N1CCC(CC1)NC(=O)[*:1]
O=C(NC1CCN(C(=O)c2cccs2)CC1)c1cccnc1 c1csc(c1)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])c1cccnc1
COc1cccc(C(=O)N2CCN(c3ccc(NCc4ccccc4)nn3)CC2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(nn1)N[*:1]
COc1cccc(C(=O)N2CCN(c3ccc(NCc4ccccc4)nn3)CC2)c1 c1ccc(cc1)CN[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
COc1cccc(C(=O)N2CCN(c3ccc(NCc4ccccc4)nn3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(nn1)NC[*:1]
COc1cccc(C(=O)N2CCN(c3ccc(NCc4ccccc4)nn3)CC2)c1 COc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1ccc(nn1)NCc1ccccc1)[*:1]
C[C@H](NC(N)=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 NC(=O)N[*:1] C[C@H](C(=O)N1CCN(CC1)Cc1ccc(Cl)s1)[*:1]
C[C@H](NC(N)=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 C[C@H](NC(N)=O)[*:1] O=C(N1CCN(CC1)Cc1ccc(Cl)s1)[*:1]
C[C@H](NC(N)=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(C[*:1])s1 C[C@H](NC(N)=O)C(=O)N1CCN(CC1)[*:1]
C[C@H](NC(N)=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] C[C@H](NC(N)=O)C(=O)N1CCN(CC1)C[*:1]
CC(C)c1nn(C)c2sc(C(=O)NNC(=O)Cc3ccsc3)cc12 c1cc(cs1)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)NNC(=O)C[*:1]
CC(C)c1nn(C)c2sc(C(=O)NNC(=O)Cc3ccsc3)cc12 c1cc(cs1)C[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)NNC(=O)[*:1]
CC(C)c1nn(C)c2sc(C(=O)NNC(=O)Cc3ccsc3)cc12 CC(C)[*:1] Cn1nc(c2cc(sc21)C(=O)NNC(=O)Cc1ccsc1)[*:1]
CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)C[C@@H]3CCCCO3)CC2)n1 Clc1cccc(c1)[*:1] CN(C)c1ncc(c(n1)C1CCN(CC1)C(=O)C[C@@H]1CCCCO1)[*:1]
CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)C[C@@H]3CCCCO3)CC2)n1 CN(C)[*:1] O=C(C[C@@H]1CCCCO1)N1CCC(CC1)c1nc(ncc1-c1cccc(Cl)c1)[*:1]
O=C([O-])c1ccccc1NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O O=C([O-])[*:1] O=C(Nc1ccccc1[*:1])c1cc2cc(Cl)cc(Cl)c2oc1=O
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)N4CCCC4)cc3)[nH]c2cc1C O=C(CO[*:1])N1CCCC1 Cc1cc2nc([nH]c2cc1C)/C(C#N)=C/c1ccc(cc1)[*:1]
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)N4CCCC4)cc3)[nH]c2cc1C O=C(C[*:1])N1CCCC1 Cc1cc2nc([nH]c2cc1C)/C(C#N)=C/c1ccc(cc1)O[*:1]
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)N4CCCC4)cc3)[nH]c2cc1C O=C(N1CCCC1)[*:1] Cc1cc2nc([nH]c2cc1C)/C(C#N)=C/c1ccc(cc1)OC[*:1]
CN(CC(=O)N1CCN(c2nccs2)CC1)c1cnccn1 c1csc(n1)[*:1] CN(CC(=O)N1CCN(CC1)[*:1])c1cnccn1
CN(CC(=O)N1CCN(c2nccs2)CC1)c1cnccn1 c1cnc(cn1)[*:1] CN(CC(=O)N1CCN(CC1)c1nccs1)[*:1]
CCOC(=O)c1cn(C)cc1C(F)(F)F CCOC(=O)[*:1] Cn1cc(c(c1)[*:1])C(F)(F)F
CCOC(=O)c1cn(C)cc1C(F)(F)F FC(F)(F)[*:1] CCOC(=O)c1cn(C)cc1[*:1]
O=C(NC1CCCCCC1)[C@@H]1CSc2nccc(=O)n2C1 C1CCCC(CC1)[*:1] O=C(N[*:1])[C@@H]1CSc2nccc(=O)n2C1
CCc1ccc(-n2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1 CCc1ccc(cc1)[*:1] Nc1c(c2nc3ccccc3nc2n1[*:1])S(=O)(=O)c1ccccc1
CCc1ccc(-n2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)-n1c(N)c(c2nc3ccccc3nc21)S(=O)(=O)[*:1]
CCc1ccc(-n2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1 O=S(=O)(c1ccccc1)[*:1] CCc1ccc(cc1)-n1c(N)c(c2nc3ccccc3nc21)[*:1]
COc1ccc(CC[C@H](C)NC(=O)c2ccc3cc[nH]c3c2)cc1 COc1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)c1ccc2cc[nH]c2c1
COc1cccc(C(=O)N2CCOC[C@H]2c2ccc(C)o2)c1F Cc1ccc(o1)[*:1] COc1cccc(C(=O)N2CCOC[C@@H]2[*:1])c1F
Cn1ccnc1[C@@H](NC(=O)NCCSc1ccccc1)c1ccc(Cl)cc1 Cn1ccnc1[*:1] O=C(NCCSc1ccccc1)N[C@@H](c1ccc(Cl)cc1)[*:1]
Cn1ccnc1[C@@H](NC(=O)NCCSc1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)S[*:1] Cn1ccnc1[C@@H](NC(=O)NCC[*:1])c1ccc(Cl)cc1
Cn1ccnc1[C@@H](NC(=O)NCCSc1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)SCC[*:1] Cn1ccnc1[C@@H](NC(=O)N[*:1])c1ccc(Cl)cc1
Cn1ccnc1[C@@H](NC(=O)NCCSc1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)SC[*:1] Cn1ccnc1[C@@H](NC(=O)NC[*:1])c1ccc(Cl)cc1
Cn1ccnc1[C@@H](NC(=O)NCCSc1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)NCCSc1ccccc1)[*:1]
Cn1ccnc1[C@@H](NC(=O)NCCSc1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)NCCS[*:1])c1ccc(Cl)cc1
Cc1ccc(C)c(NC(=O)N2CCC(c3nnc(C[NH+](C)C)n3C)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cn1c(C[NH+](C)C)nnc1C1CCN(CC1)C(=O)N[*:1]
COc1ccc(/C=N/c2cccc([N+](=O)[O-])c2C)c2ccccc12 O=[N+]([O-])[*:1] COc1ccc(/C=N/c2cccc(c2C)[*:1])c2ccccc12
Cc1ccc(-c2cc(C(=O)Nc3ccc(CS(N)(=O)=O)cc3)on2)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1)-c1cc(on1)C(=O)Nc1ccc(cc1)C[*:1]
Cc1ccc(-c2cc(C(=O)Nc3ccc(CS(N)(=O)=O)cc3)on2)cc1 NS(=O)(=O)C[*:1] Cc1ccc(cc1)-c1cc(on1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3ccc(CS(N)(=O)=O)cc3)on2)cc1 Cc1ccc(cc1)[*:1] NS(=O)(=O)Cc1ccc(cc1)NC(=O)c1cc(no1)[*:1]
CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)CCSc2ccccc2F)C1 Fc1ccccc1[*:1] CS(=O)(=O)[C@@H]1CC[C@H](C1)OC(=O)CCS[*:1]
CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)CCSc2ccccc2F)C1 CS(=O)(=O)[*:1] O=C(CCSc1ccccc1F)O[C@@H]1CC[C@H](C1)[*:1]
N#Cc1ccc(C(F)(F)F)nc1NCCC[NH2+]C1CC1 FC(F)(F)[*:1] N#Cc1ccc(nc1NCCC[NH2+]C1CC1)[*:1]
N#Cc1ccc(C(F)(F)F)nc1NCCC[NH2+]C1CC1 C1CC1[*:1] N#Cc1ccc(nc1NCCC[NH2+][*:1])C(F)(F)F
O=C(COCc1ccccc1Cl)N1CCN(c2ncccn2)CC1 Clc1ccccc1C[*:1] O=C(CO[*:1])N1CCN(CC1)c1ncccn1
O=C(COCc1ccccc1Cl)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(COCc1ccccc1Cl)N1CCN(CC1)[*:1]
O=C(COCc1ccccc1Cl)N1CCN(c2ncccn2)CC1 Clc1ccccc1[*:1] O=C(COC[*:1])N1CCN(CC1)c1ncccn1
CN(Cc1ccccc1)c1nc2ncn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c2s1 Clc1ccc(cc1)C[*:1] CN(Cc1ccccc1)c1nc2ncn(CC(=O)N[*:1])c(=O)c2s1
CN(Cc1ccccc1)c1nc2ncn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c2s1 CN(Cc1ccccc1)[*:1] O=C(Cn1cnc2nc(sc2c1=O)[*:1])NCc1ccc(Cl)cc1
CN(Cc1ccccc1)c1nc2ncn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c2s1 c1ccc(cc1)[*:1] CN(C[*:1])c1nc2ncn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c2s1
CN(Cc1ccccc1)c1nc2ncn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c2s1 Clc1ccc(cc1)[*:1] CN(Cc1ccccc1)c1nc2ncn(CC(=O)NC[*:1])c(=O)c2s1
CN(Cc1ccccc1)c1nc2ncn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c2s1 c1ccc(cc1)C[*:1] CN(c1nc2ncn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c2s1)[*:1]
COc1ccc(N2CCN(CC(=O)N3c4ccc(F)cc4CC[C@H]3C)C2=O)cc1OC COc1ccc(cc1OC)[*:1] C[C@@H]1CCc2cc(F)ccc2N1C(=O)CN1CCN(C1=O)[*:1]
CC[C@H]1CN(Cc2ccccc2)[C@H](CC)CN1C(=O)[C@@H](C)S(C)(=O)=O c1ccc(cc1)[*:1] CC[C@H]1CN(C[*:1])[C@H](CC)CN1C(=O)[C@@H](C)S(C)(=O)=O
CC[C@H]1CN(Cc2ccccc2)[C@H](CC)CN1C(=O)[C@@H](C)S(C)(=O)=O C[C@@H](S(C)(=O)=O)[*:1] CC[C@H]1CN(Cc2ccccc2)[C@H](CC)CN1C(=O)[*:1]
CC[C@H]1CN(Cc2ccccc2)[C@H](CC)CN1C(=O)[C@@H](C)S(C)(=O)=O c1ccc(cc1)C[*:1] CC[C@H]1CN([C@H](CC)CN1C(=O)[C@@H](C)S(C)(=O)=O)[*:1]
CC[C@H]1CN(Cc2ccccc2)[C@H](CC)CN1C(=O)[C@@H](C)S(C)(=O)=O CS(=O)(=O)[*:1] CC[C@H]1CN(Cc2ccccc2)[C@H](CC)CN1C(=O)[C@@H](C)[*:1]
C[C@H]1CN(C(=O)NCCCn2cnc3ccccc32)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](O1)[*:1])C(=O)NCCCn1cnc2ccccc21
C[C@H]1CN(C(=O)NCCCn2cnc3ccccc32)C[C@@H](c2ccccc2)O1 c1ccc2c(c1)ncn2[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)NCCC[*:1]
Cc1cccc(C)c1OCC(=O)NNC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1cccc(C)c1OCC(=O)NNC(=O)N[*:1]
Cc1cccc(C)c1OCC(=O)NNC(=O)Nc1cccc(Cl)c1 Cc1cccc(C)c1[*:1] O=C(CO[*:1])NNC(=O)Nc1cccc(Cl)c1
C/C=C/CSCc1cccc(C(=O)NC)c1 CC=C[*:1] CNC(=O)c1cccc(c1)CSC[*:1]
C/C=C/CSCc1cccc(C(=O)NC)c1 C/C=C/C[*:1] CNC(=O)c1cccc(c1)CS[*:1]
C/C=C/CSCc1cccc(C(=O)NC)c1 CNC(=O)[*:1] C/C=C/CSCc1cccc(c1)[*:1]
C/C=C/CSCc1cccc(C(=O)NC)c1 C/C=C/CS[*:1] CNC(=O)c1cccc(c1)C[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)Oc1ccc(C)cc1C(=O)NCC(C)C CC(C)CNC(=O)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)Oc1ccc(C)cc1[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)Oc1ccc(C)cc1C(=O)NCC(C)C CC(C)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)Oc1ccc(C)cc1C(=O)NC[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)Oc1ccc(C)cc1C(=O)NCC(C)C CC(C)C[*:1] C=C1c2ccccc2C(=O)N1CC(=O)Oc1ccc(C)cc1C(=O)N[*:1]
O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCO OCC[*:1] O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1[*:1]
CC[C@@H](C)NC(=O)Nc1ccc(-c2noc(-c3cccc(C)c3)n2)cc1 Cc1cccc(c1)[*:1] CC[C@@H](C)NC(=O)Nc1ccc(cc1)-c1noc(n1)[*:1]
CC[C@@H](C)NC(=O)Nc1ccc(-c2noc(-c3cccc(C)c3)n2)cc1 CC[C@@H](C)NC(=O)N[*:1] Cc1cccc(c1)-c1nc(no1)-c1ccc(cc1)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(OC)cc1)C1CC1 CCC[*:1] COc1ccc(cc1)CN(C(=O)N[C@@H]1C[C@H]1[*:1])C1CC1
CCC[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(OC)cc1)C1CC1 C1CC1[*:1] CCC[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(cc1)OC)[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@@H]1CCCO1 C1CC1[*:1] Cc1ccc(cc1NC(=O)NC[C@@H]1CCCO1)C(=O)N[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])C(=O)NC1CC1
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@@H]1CCCO1 O=C(NC1CC1)[*:1] Cc1ccc(cc1NC(=O)NC[C@@H]1CCCO1)[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1NC(=O)N[*:1])C(=O)NC1CC1
Cc1ncsc1CN1C(=O)[C@@H]2CCCN2C(=O)[C@H]1C(C)C Cc1ncsc1C[*:1] CC(C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1[*:1]
Cc1ncsc1CN1C(=O)[C@@H]2CCCN2C(=O)[C@H]1C(C)C CC(C)[*:1] Cc1ncsc1CN1C(=O)[C@@H]2CCCN2C(=O)[C@@H]1[*:1]
Cc1ncsc1CN1C(=O)[C@@H]2CCCN2C(=O)[C@H]1C(C)C Cc1ncsc1[*:1] CC(C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1C[*:1]
C[C@H](C[NH2+][C@@H]1CCCc2sccc21)[S@](C)=O C[S@](=O)[*:1] C[C@H](C[NH2+][C@@H]1CCCc2sccc21)[*:1]
CCn1nc(C)c(NC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)c1C CC(C)[*:1] CCn1nc(C)c(NC(=O)N[C@@H](c2nnc3CCCn32)[*:1])c1C
CCn1nc(C)c(NC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)c1C C1Cc2nnc(n2C1)[*:1] CCn1nc(C)c(NC(=O)N[C@@H](C(C)C)[*:1])c1C
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cc2coc3ccc(Cl)cc23)cc1 Clc1ccc2occ(c2c1)[*:1] CC[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCO OCC[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccccc2)nc2ccccc12 COC(=O)[*:1] O[C@@H]1C[C@H](N(C1)c1nc(nc2ccccc12)-c1ccccc1)[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] COC(=O)[C@@H]1C[C@@H](O)CN1c1nc(nc2ccccc12)[*:1]
CN(C)C(=O)C[NH+](C)CCc1ccc2c(c1)CCO2 CN(C)C(=O)[*:1] C[NH+](CCc1ccc2OCCc2c1)C[*:1]
CN(C)C(=O)C[NH+](C)CCc1ccc2c(c1)CCO2 CN(C)C(=O)C[*:1] C[NH+](CCc1ccc2OCCc2c1)[*:1]
Cc1cc(F)ccc1C[NH2+][C@H](C)[C@H](C)CO C[C@H](CO)[*:1] Cc1cc(F)ccc1C[NH2+][C@H](C)[*:1]
CCCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)CC CCC[*:1] CCC(=O)N1c2nc(nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21)[*:1]
C[C@H]1C[C@H]1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 C[C@H]1C[C@H]1NC(=O)[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)[*:1]
CC#CC[N+](C)(C)CCCCCC CCCC[*:1] CC#CC[N+](C)(C)CC[*:1]
CC#CC[N+](C)(C)CCCCCC CCC[*:1] CC#CC[N+](C)(C)CCC[*:1]
CC#CC[N+](C)(C)CCCCCC CC#CC[*:1] CCCCCC[N+](C)(C)[*:1]
CC#CC[N+](C)(C)CCCCCC CC#C[*:1] CCCCCC[N+](C)(C)C[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1C Brc1ccc(cc1)[*:1] Cc1cccc(O[C@@H](C)C(=O)N[*:1])c1C
CCCOCC(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 CCC[*:1] O=C(CO[*:1])NCc1cc2C[NH+](CCCn2n1)C1CCCCC1
CCCOCC(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 CCCOCC(=O)N[*:1] c1c(C[*:1])nn2CCC[NH+](Cc12)C1CCCCC1
CCCOCC(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 CCCOC[*:1] O=C(NCc1cc2C[NH+](CCCn2n1)C1CCCCC1)[*:1]
CCCOCC(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 C1CCC(CC1)[*:1] CCCOCC(=O)NCc1cc2C[NH+](CCCn2n1)[*:1]
CCCOCC(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 CCCO[*:1] O=C(C[*:1])NCc1cc2C[NH+](CCCn2n1)C1CCCCC1
Cc1ccc(N2C(=N)S/C(=C\c3cc(Cl)ccc3O)C2=O)cc1 Cc1ccc(cc1)[*:1] N=C1S/C(=C\c2cc(Cl)ccc2O)C(=O)N1[*:1]
C[C@H](c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 c1ccc(cc1)[*:1] C[C@H](S(=O)(=O)c1ccc2OCCCOc2c1)[*:1]
CC[C@@H](NC(=O)c1ccc(-c2ccccc2)nc1C)c1c(C)nn(C)c1C c1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ccc(nc1C)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)c1ccc(-c2ccccc2)nc1C)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)c1ccc(nc1C)-c1ccccc1)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 c1cnc(nc1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N(CC)c2ccccc2)s1 CCN[*:1] CCN(C(=O)[C@@H](C)S(=O)(=O)c1nnc(s1)[*:1])c1ccccc1
CCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N(CC)c2ccccc2)s1 c1ccc(cc1)[*:1] CCNc1nnc(s1)S(=O)(=O)[C@H](C)C(=O)N(CC)[*:1]
CCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N(CC)c2ccccc2)s1 CCNc1nnc(s1)[*:1] CCN(C(=O)[C@@H](C)S(=O)(=O)[*:1])c1ccccc1
C[C@@H](O)C[C@@H](C)CNC(=O)c1cccc(-c2ccoc2)c1 C[C@@H](O)[*:1] C[C@@H](CNC(=O)c1cccc(c1)-c1ccoc1)C[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)c1cccc(c1)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)c1cccc(-c2ccoc2)c1 C[C@@H](O)C[*:1] C[C@@H](CNC(=O)c1cccc(c1)-c1ccoc1)[*:1]
CN1C(=O)COc2ccc(NC(=O)C(=O)NCCc3ccccc3)cc21 c1ccc(cc1)C[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)C(=O)NC[*:1]
CN1C(=O)COc2ccc(NC(=O)C(=O)NCCc3ccccc3)cc21 c1ccc(cc1)CC[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)C(=O)N[*:1]
CN1C(=O)COc2ccc(NC(=O)C(=O)NCCc3ccccc3)cc21 c1ccc(cc1)[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)C(=O)NCC[*:1]
COCCCNC(=O)[C@H](C)n1nc(-c2ccco2)cc(N)c1=O COCCC[*:1] C[C@@H](C(=O)N[*:1])n1nc(cc(N)c1=O)-c1ccco1
COCCCNC(=O)[C@H](C)n1nc(-c2ccco2)cc(N)c1=O COCC[*:1] C[C@@H](C(=O)NC[*:1])n1nc(cc(N)c1=O)-c1ccco1
COCCCNC(=O)[C@H](C)n1nc(-c2ccco2)cc(N)c1=O c1coc(c1)[*:1] COCCCNC(=O)[C@H](C)n1nc(cc(N)c1=O)[*:1]
COCCCNC(=O)[C@H](C)n1nc(-c2ccco2)cc(N)c1=O COC[*:1] C[C@@H](C(=O)NCC[*:1])n1nc(cc(N)c1=O)-c1ccco1
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(SC)nc2)C1 CCOC(=O)[*:1] CSc1ccc(cn1)C(=O)N1CCC[C@H](C1)[*:1]
CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(Br)cs1 CC[C@H](C)[*:1] O=C(CC[NH2+]Cc1cc(Br)cs1)N[*:1]
O=C(/C=C/c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 c1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
O=C(/C=C/c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 C(=C[*:1])c1ccccc1 O=C(N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)[*:1]
O=C(/C=C/c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] O=C(/C=C/c1ccccc1)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
COCC[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 COCC[*:1] C[C@H](C(=O)[C@H](C#N)c1nc(cs1)-c1ccc(C#N)cc1)[*:1]
COCC[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 COC[*:1] C[C@@H](C[*:1])C(=O)[C@H](C#N)c1nc(cs1)-c1ccc(C#N)cc1
COCC[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 COCC[C@H](C)[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@@H](C#N)C(=O)[*:1]
COCC[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 COCC[C@H](C)C(=O)[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@@H](C#N)[*:1]
COCC[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 N#Cc1ccc(cc1)[*:1] COCC[C@H](C)C(=O)[C@H](C#N)c1nc(cs1)[*:1]
COc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)c(OC)c1OC N#Cc1cccc(c1)[*:1] COc1ccc(C(=O)N[C@H](C)[*:1])c(OC)c1OC
CC(C)n1c([C@@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)nn(C)c1=O CN(C)c1cccc(c1)[*:1] CC(C)n1c(nn(C)c1=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)n1c([C@@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)nn(C)c1=O CN(C)[*:1] CC(C)n1c(nn(C)c1=O)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CC(C)n1c([C@@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)nn(C)c1=O CC(C)[*:1] CN(C)c1cccc(c1)C(=O)N1CCC[C@H](C1)c1nn(C)c(=O)n1[*:1]
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)C1=C(O)N=N[C@H]1N2 Clc1cccc(Cl)c1[*:1] O=C1C[C@H](CC2N[C@@H]3N=NC(O)=C3[C@@H](C=21)[*:1])c1cccs1
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)C1=C(O)N=N[C@H]1N2 c1csc(c1)[*:1] O=C1C[C@@H](CC2N[C@@H]3N=NC(O)=C3[C@H](C=21)c1c(Cl)cccc1Cl)[*:1]
Cc1cncc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1 Cc1cncc(c1)[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)C(=O)N[*:1]
c1ccc(-c2csc(Sc3ncccn3)n2)cc1 c1cnc(nc1)[*:1] c1ccc(cc1)-c1csc(n1)S[*:1]
c1ccc(-c2csc(Sc3ncccn3)n2)cc1 c1ccc(cc1)[*:1] c1cnc(nc1)Sc1nc(cs1)[*:1]
O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(-n2ccnc2)cc1 c1cncc(c1)[*:1] O=C(Nc1ccc(nc1)O[*:1])c1ccc(cc1)-n1ccnc1
O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(-n2ccnc2)cc1 c1cncc(c1)O[*:1] O=C(Nc1ccc(nc1)[*:1])c1ccc(cc1)-n1ccnc1
O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] O=C(Nc1ccc(nc1)Oc1cccnc1)c1ccc(cc1)[*:1]
C#CCNc1nc2ccc(Cl)cn2n1 C#CC[*:1] Clc1ccc2nc(nn2c1)N[*:1]
C#CCNc1nc2ccc(Cl)cn2n1 C#CCN[*:1] Clc1ccc2nc(nn2c1)[*:1]
C[C@H]1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C[C@H](C)O1 C1CN(CCO1)C[*:1] C[C@H]1CN(CC(=O)Nc2ccc(cc2)[*:1])C[C@H](C)O1
C[C@H]1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C[C@H](C)O1 C1CN(CCO1)[*:1] C[C@H]1CN(CC(=O)Nc2ccc(cc2)C[*:1])C[C@H](C)O1
O=C(Nc1ccccc1OCC(F)(F)F)c1c[nH]c2cccc(F)c12 FC(F)(F)[*:1] O=C(Nc1ccccc1OC[*:1])c1c[nH]c2cccc(F)c12
O=C(Nc1ccccc1OCC(F)(F)F)c1c[nH]c2cccc(F)c12 FC(F)(F)C[*:1] O=C(Nc1ccccc1O[*:1])c1c[nH]c2cccc(F)c12
O=C(Nc1ccccc1OCC(F)(F)F)c1c[nH]c2cccc(F)c12 FC(F)(F)CO[*:1] O=C(Nc1ccccc1[*:1])c1c[nH]c2cccc(F)c12
COc1cccc([C@H](CO)Nc2ccc3nnc(C(F)(F)F)n3n2)c1 COc1cccc(c1)[*:1] OC[C@H](Nc1ccc2nnc(n2n1)C(F)(F)F)[*:1]
COc1cccc([C@H](CO)Nc2ccc3nnc(C(F)(F)F)n3n2)c1 FC(F)(F)[*:1] COc1cccc(c1)[C@H](CO)Nc1ccc2nnc(n2n1)[*:1]
CCC[C@H]1CCc2ccccc2N1C(=O)CN(C)C(=O)COC COCC(=O)N(C)[*:1] CCC[C@H]1CCc2ccccc2N1C(=O)C[*:1]
CCC[C@H]1CCc2ccccc2N1C(=O)CN(C)C(=O)COC COC[*:1] CCC[C@H]1CCc2ccccc2N1C(=O)CN(C)C(=O)[*:1]
CCC[C@H]1CCc2ccccc2N1C(=O)CN(C)C(=O)COC CCC[*:1] COCC(=O)N(C)CC(=O)N1c2ccccc2CC[C@@H]1[*:1]
CC[C@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 C1CC1[*:1] CC[C@H](NC(=O)N1CC[NH+](CC1)C[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)N1CC[NH+](CC1)CC1CC1)c1cccc(c1)[*:1]
CC[C@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1cccc([N+](=O)[O-])c1 C1CC1C[*:1] CC[C@H](NC(=O)N1CC[NH+](CC1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@@H](C)[C@H]([NH2+]C)[C@@H]1CCOC2(CCC2)C1 CC[C@@H](C)[*:1] C[NH2+][C@H]([C@@H]1CCOC2(CCC2)C1)[*:1]
Cc1ccc(OC(=O)c2cc(S(=O)(=O)N(C)C)cs2)cc1C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1C)OC(=O)c1cc(cs1)[*:1]
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 O=[N+]([O-])[*:1] C[C@H](CNS(=O)(=O)c1ccc(cc1Cl)[*:1])c1ccsc1
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 C[C@H](c1ccsc1)[*:1] O=[N+]([O-])c1ccc(c(Cl)c1)S(=O)(=O)NC[*:1]
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNS(=O)(=O)c1ccc(cc1Cl)[N+](=O)[O-])[*:1]
Cc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCOCC1)N(Cc1ccco1)[*:1]
Cc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 c1coc(c1)C[*:1] Cc1ccc2nc(sc2c1)N(C(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
Cc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 c1coc(c1)[*:1] Cc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Cc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc2nc(sc2c1)N(Cc1ccco1)C(=O)c1ccc(cc1)[*:1]
Cc1ccccc1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 Cc1ccccc1[*:1] O=C(N1CCC(CC1)NS(=O)(=O)c1cccs1)[*:1]
Cc1ccccc1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cc1ccccc1C(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCC1 O=[N+]([O-])[*:1] O=C(C(=O)N1CCN(CC1)c1ccc(nc1)[*:1])N1CCCC1
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCOc3ccccc3C2)CC1 CN(C)C(=O)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])N1CCOc2ccccc2C1
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCOc3ccccc3C2)CC1 CN(C)C(=O)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])N1CCOc2ccccc2C1
COc1ccc(C2=C[C@@H](C(=O)N/N=C/c3ccc(C)cc3)N=N2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C1=C[C@H](N=N1)C(=O)NN=C[*:1]
COc1ccc(C2=C[C@@H](C(=O)N/N=C/c3ccc(C)cc3)N=N2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(/C=N/NC(=O)[C@@H]2C=C(N=N2)[*:1])cc1
Cc1cc(C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
C[C@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@@H](C)O1)C(C)(C)CNS(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1 CC(=O)N[*:1] O=C(Cc1cc(Cl)c2OCCCOc2c1)Nc1cc(ccc1F)[*:1]
CCc1noc(CC)c1CC(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1 CCc1noc(CC)c1[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(c1)N1CCOC1=O
CCc1noc(CC)c1CC(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] CCc1noc(CC)c1CC(=O)N[C@H](C)c1cccc(c1)[*:1]
O=C1CCC2=C1[C@H](c1ccccc1)Nc1ccccc1N2 c1ccc(cc1)[*:1] O=C1CCC2Nc3ccccc3N[C@@H](C=21)[*:1]
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 C1CC1[*:1] Cc1ccc(cc1C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 O=S(=O)(NC1CC1)[*:1] Cc1ccc(cc1C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
CCc1nnc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)s1 COc1ccc(cc1)[*:1] CCc1nnc(NC(=O)CSc2nnc(n2C)[*:1])s1
CCc1nnc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)s1 CCc1nnc(s1)[*:1] COc1ccc(cc1)-c1nnc(SCC(=O)N[*:1])n1C
COC[C@H](Cl)CN(C)Cc1cc(F)cc(Br)c1 COC[C@H](Cl)[*:1] CN(Cc1cc(F)cc(Br)c1)C[*:1]
COC[C@H](Cl)CN(C)Cc1cc(F)cc(Br)c1 COC[*:1] CN(Cc1cc(F)cc(Br)c1)C[C@@H](Cl)[*:1]
Cc1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NCCc1ccc2OCOc2c1)[*:1]
CN(C)C(=O)CN(C)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 CN(C)C(=O)C[*:1] CN(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)[*:1]
CN(C)C(=O)CN(C)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1)[*:1]
O=C(c1cnccn1)N1CCc2c(c(CO)nn2Cc2ccccc2)C1 c1cnc(cn1)[*:1] O=C(N1CCc2c(C1)c(CO)nn2Cc1ccccc1)[*:1]
O=C(c1cnccn1)N1CCc2c(c(CO)nn2Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cnccn1)N1CCc2c(C1)c(CO)nn2C[*:1]
O=C(c1cnccn1)N1CCc2c(c(CO)nn2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1cnccn1)N1CCc2c(C1)c(CO)nn2[*:1]
CC(=O)Cc1nsc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CC(=O)Cc1nsc(n1)NC(=O)C(C)(C)O[*:1]
CC(=O)Cc1nsc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 CC(=O)C[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(ns1)[*:1]
CC(=O)Cc1nsc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 CC(=O)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(C[*:1])ns1
COc1ccc(CCC(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] COc1ccc(cc1)CCC(=O)N[*:1]
COc1cccc(-c2[nH+]ccc3ccn(CC(=O)N(C)CC[NH+](C)C)c23)c1 COc1cccc(c1)[*:1] CN(CC[NH+](C)C)C(=O)Cn1ccc2cc[nH+]c(c21)[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(O)c(OCC)c1 CCOc1cc(ccc1O)[*:1] CCOC(=O)C1=C(C)NC2C[C@H](CC(=O)C=2[C@@H]1[*:1])c1cccs1
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(O)c(OCC)c1 CCOC(=O)[*:1] CCOc1cc(ccc1O)[C@@H]1C2C(=O)C[C@@H](CC=2NC(C)=C1[*:1])c1cccs1
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(O)c(OCC)c1 CCO[*:1] CCOC(=O)C1=C(C)NC2C[C@H](CC(=O)C=2[C@H]1c1ccc(O)c(c1)[*:1])c1cccs1
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(O)c(OCC)c1 c1csc(c1)[*:1] CCOC(=O)C1=C(C)NC2C[C@@H](CC(=O)C=2[C@H]1c1ccc(O)c(c1)OCC)[*:1]
Cc1cc(C)n(Cc2cc(C(=O)N[C@H](C)CCn3cccn3)n[nH]2)n1 c1cnn(c1)[*:1] Cc1cc(C)n(Cc2cc(n[nH]2)C(=O)N[C@H](C)CC[*:1])n1
Cc1cc(C)n(Cc2cc(C(=O)N[C@H](C)CCn3cccn3)n[nH]2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CCn1cccn1)NC(=O)c1cc(C[*:1])[nH]n1
Cc1cc(C)n(Cc2cc(C(=O)N[C@H](C)CCn3cccn3)n[nH]2)n1 c1cnn(c1)CC[*:1] Cc1cc(C)n(Cc2cc(n[nH]2)C(=O)N[C@H](C)[*:1])n1
Cc1cc(C)n(Cc2cc(C(=O)N[C@H](C)CCn3cccn3)n[nH]2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](CCn1cccn1)NC(=O)c1cc([nH]n1)[*:1]
Cc1cc(C)n(Cc2cc(C(=O)N[C@H](C)CCn3cccn3)n[nH]2)n1 c1cnn(c1)C[*:1] Cc1cc(C)n(Cc2cc(n[nH]2)C(=O)N[C@H](C)C[*:1])n1
O[C@H]1CCCC[C@H]1CCC[NH2+][C@H](c1ccccc1)C1CC1 O[C@H]1CCCC[C@@H]1[*:1] c1ccc(cc1)[C@@H]([NH2+]CCC[*:1])C1CC1
O[C@H]1CCCC[C@H]1CCC[NH2+][C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O[C@H]1CCCC[C@H]1CCC[NH2+][C@H](C1CC1)[*:1]
O[C@H]1CCCC[C@H]1CCC[NH2+][C@H](c1ccccc1)C1CC1 C1CC1[*:1] O[C@H]1CCCC[C@H]1CCC[NH2+][C@H](c1ccccc1)[*:1]
O=C(NCc1cnn2ccccc12)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=C(NCc1cnn2ccccc12)c1cccc(c1)[*:1]
O=c1[nH]c(CS(=O)(=O)c2ccccc2)nc2c1cnn2Cc1ccccc1 c1ccc(cc1)C[*:1] O=c1[nH]c(CS(=O)(=O)c2ccccc2)nc2c1cnn2[*:1]
O=c1[nH]c(CS(=O)(=O)c2ccccc2)nc2c1cnn2Cc1ccccc1 O=S(=O)(c1ccccc1)[*:1] O=c1[nH]c(C[*:1])nc2c1cnn2Cc1ccccc1
O=c1[nH]c(CS(=O)(=O)c2ccccc2)nc2c1cnn2Cc1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]c(CS(=O)(=O)c2ccccc2)nc2c1cnn2C[*:1]
O=c1[nH]c(CS(=O)(=O)c2ccccc2)nc2c1cnn2Cc1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]c(CS(=O)(=O)[*:1])nc2c1cnn2Cc1ccccc1
C[C@@](O)(CO)C[NH2+]Cc1cc(F)c([O-])c(F)c1 C[C@@](O)(CO)[*:1] [O-]c1c(F)cc(cc1F)C[NH2+]C[*:1]
CC(C)(C)OC(=O)N1CCN(Cc2nc(C(C)(C)C)n[nH]2)CC1 CC(C)(C)[*:1] CC(C)(C)OC(=O)N1CCN(CC1)Cc1nc(n[nH]1)[*:1]
CC(C)(C)OC(=O)N1CCN(Cc2nc(C(C)(C)C)n[nH]2)CC1 CC(C)(C)[*:1] CC(C)(C)c1n[nH]c(CN2CCN(CC2)C(=O)O[*:1])n1
CN1C=C(C(=O)Nc2ccc(Cl)cc2Cl)C2=NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21 c1ccc(cc1)C[*:1] CN1C=C(C(=O)Nc2ccc(Cl)cc2Cl)C2=NC(=O)N(C(=O)[C@@H]21)[*:1]
CN1C=C(C(=O)Nc2ccc(Cl)cc2Cl)C2=NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21 Clc1ccc(c(Cl)c1)[*:1] CN1C=C(C(=O)N[*:1])C2=NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21
CN1C=C(C(=O)Nc2ccc(Cl)cc2Cl)C2=NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21 c1ccc(cc1)[*:1] CN1C=C(C(=O)Nc2ccc(Cl)cc2Cl)C2=NC(=O)N(C[*:1])C(=O)[C@@H]21
CC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 CC(=O)[*:1] O=S(=O)(Nc1cc(Cl)ccc1F)c1cccc(c1)[*:1]
Cc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)Nc3cc(C)on3)CCO2)n1 Cc1cc(no1)[*:1] Cc1n[nH]c(n1)[C@@H]1CN(CCO1)[C@@H](C)C(=O)N[*:1]
Cc1n[nH]c([C@@H]2CN([C@@H](C)C(=O)Nc3cc(C)on3)CCO2)n1 Cc1n[nH]c(n1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)N1CCO[C@@H](C1)[*:1]
Cc1nn(CC(=O)c2ccc(N3CCCC3=O)cc2)c(=O)c(C#N)c1C O=C1CCCN1[*:1] Cc1nn(CC(=O)c2ccc(cc2)[*:1])c(=O)c(C#N)c1C
Cc1ccccc1-c1nc2nc(C)c(CC(=O)N3CCCCCC3)c(C)n2n1 O=C(N1CCCCCC1)[*:1] Cc1ccccc1-c1nc2nc(C)c(C[*:1])c(C)n2n1
Cc1ccccc1-c1nc2nc(C)c(CC(=O)N3CCCCCC3)c(C)n2n1 Cc1ccccc1[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)N1CCCCCC1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(Cl)c2)C1 CS(=O)(=O)[*:1] Clc1ccc(cc1Cl)N[C@@H]1CCC[C@H](C1)[*:1]
O=C(c1coc(COc2cccc(C(F)(F)F)c2)n1)N1CCCC[C@@H]1CO FC(F)(F)[*:1] O=C(c1coc(COc2cccc(c2)[*:1])n1)N1CCCC[C@@H]1CO
CC1(C[NH2+]Cc2ccccc2N)COC1 CC1(COC1)[*:1] Nc1ccccc1C[NH2+]C[*:1]
CC(C)NC(=O)CN(C)C(=O)Cn1c(=O)[nH]c2ccccc21 CC(C)[*:1] CN(CC(=O)N[*:1])C(=O)Cn1c(=O)[nH]c2ccccc21
CC(C)NC(=O)CN(C)C(=O)Cn1c(=O)[nH]c2ccccc21 CC(C)NC(=O)[*:1] CN(C[*:1])C(=O)Cn1c(=O)[nH]c2ccccc21
CC(C)NC(=O)CN(C)C(=O)Cn1c(=O)[nH]c2ccccc21 CC(C)NC(=O)C[*:1] CN(C(=O)Cn1c(=O)[nH]c2ccccc21)[*:1]
O=C(COc1ccc2c(c1)CCC2)NCCc1cccs1 c1csc(c1)[*:1] O=C(COc1ccc2CCCc2c1)NCC[*:1]
O=C(COc1ccc2c(c1)CCC2)NCCc1cccs1 c1csc(c1)C[*:1] O=C(COc1ccc2CCCc2c1)NC[*:1]
O=C(COc1ccc2c(c1)CCC2)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(COc1ccc2CCCc2c1)N[*:1]
C[C@@H](CCc1ccccc1F)C(=O)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] C[C@@H](CCc1ccccc1F)C(=O)Nc1cnn(c1)[*:1]
C[C@@H](CCc1ccccc1F)C(=O)Nc1cnn(-c2ncccn2)c1 Fc1ccccc1[*:1] C[C@@H](CC[*:1])C(=O)Nc1cnn(c1)-c1ncccn1
C[C@@H](CCc1ccccc1F)C(=O)Nc1cnn(-c2ncccn2)c1 Fc1ccccc1C[*:1] C[C@@H](C[*:1])C(=O)Nc1cnn(c1)-c1ncccn1
CC[NH+](Cc1cnn(C)c1)Cc1ncoc1C(C)C Cn1cc(cn1)[*:1] CC[NH+](Cc1ncoc1C(C)C)C[*:1]
CC[NH+](Cc1cnn(C)c1)Cc1ncoc1C(C)C CC(C)[*:1] CC[NH+](Cc1cnn(C)c1)Cc1ncoc1[*:1]
Cc1ccc(CN([C@H]2CCc3ccccc32)S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cc1 Cc1ccc(cc1)C[*:1] O=C(c1cccc(c1)S(=O)(=O)N([C@H]1CCc2ccccc21)[*:1])N1CCCC1
Cc1ccc(CN([C@H]2CCc3ccccc32)S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)CN([C@H]1CCc2ccccc21)S(=O)(=O)c1cccc(c1)[*:1]
Cc1ccc(CN([C@H]2CCc3ccccc32)S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cccc(c1)S(=O)(=O)N(C[*:1])[C@H]1CCc2ccccc21)N1CCCC1
CC(=O)NCc1ccc(C(=O)Oc2ccc(Cl)c(C)c2)s1 CC(=O)NC[*:1] Cc1cc(ccc1Cl)OC(=O)c1ccc(s1)[*:1]
CC(=O)NCc1ccc(C(=O)Oc2ccc(Cl)c(C)c2)s1 CC(=O)N[*:1] Cc1cc(ccc1Cl)OC(=O)c1ccc(C[*:1])s1
CCOCc1ccccc1CNC(=O)N1C[C@H](C)C[C@@H](C)C1 CCO[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)NCc1ccccc1C[*:1]
CCOCc1ccccc1CNC(=O)N1C[C@H](C)C[C@@H](C)C1 CCOC[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)NCc1ccccc1[*:1]
C[C@@H](OCC(F)(F)F)C(=O)Nc1cc(Cl)c(Cl)cc1Cl FC(F)(F)[*:1] C[C@@H](OC[*:1])C(=O)Nc1cc(Cl)c(Cl)cc1Cl
C[C@@H](OCC(F)(F)F)C(=O)Nc1cc(Cl)c(Cl)cc1Cl FC(F)(F)C[*:1] C[C@@H](O[*:1])C(=O)Nc1cc(Cl)c(Cl)cc1Cl
C[C@@H](OCC(F)(F)F)C(=O)Nc1cc(Cl)c(Cl)cc1Cl FC(F)(F)CO[*:1] C[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)CCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)CCc1ncc(o1)[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)CCc1ncc(-c2ccccc2)o1 CCC[*:1] C[C@@H]1CCCN(C(=O)CCc2ncc(o2)-c2ccccc2)[C@H]1[*:1]
C[NH+](CC(C)(C)C[NH3+])C1CCC1 C1CC(C1)[*:1] C[NH+](CC(C)(C)C[NH3+])[*:1]
CCc1nc2c(=O)n(CC(=O)NCc3ccco3)nc(C)c2s1 c1coc(c1)[*:1] CCc1nc2c(=O)n(CC(=O)NC[*:1])nc(C)c2s1
CCc1nc2c(=O)n(CC(=O)NCc3ccco3)nc(C)c2s1 c1coc(c1)C[*:1] CCc1nc2c(=O)n(CC(=O)N[*:1])nc(C)c2s1
CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc2ccccc2[nH]c1=O CCC[*:1] O=C1c2ccc(Cl)cc2N[C@@H](c2cc3ccccc3[nH]c2=O)N1[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(NC(=O)OC)c1 N#Cc1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)Nc1ccc(F)c(c1)NC(=O)OC
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(NC(=O)OC)c1 CCC[*:1] COC(=O)Nc1cc(ccc1F)NC(=O)N(Cc1ccc(C#N)cc1)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(NC(=O)OC)c1 N#Cc1ccc(cc1)C[*:1] CCCN(C(=O)Nc1ccc(F)c(c1)NC(=O)OC)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(NC(=O)OC)c1 COC(=O)N[*:1] CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(c1)[*:1]
CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3nc4ccc(C)cc4[nH]3)CC2)cc1 Cc1ccc2nc([nH]c2c1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)C1CC[NH+](CC1)C[*:1]
CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3nc4ccc(C)cc4[nH]3)CC2)cc1 CCOC(=O)[*:1] Cc1ccc2nc(C[NH+]3CCC(CC3)C(=O)Nc3ccc(cc3)[*:1])[nH]c2c1
CCCOc1ccccc1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] CCC[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)Nc1ccccc1O[*:1]
CCCOc1ccccc1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] CCCO[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)Nc1ccccc1[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)C)c1 CC(C)(C)NC(=O)[*:1] CC(C)(C)[NH2+]CC(=O)Nc1cccc(c1)[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)C)c1 CC(C)(C)[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)C[NH2+][*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)C)c1 CC(C)(C)[*:1] CC(C)(C)[NH2+]CC(=O)Nc1cccc(c1)C(=O)N[*:1]
C/C=C/C[C@@H](C(=O)[O-])c1cccc(Cl)c1 O=C([O-])[*:1] C/C=C/C[C@@H](c1cccc(Cl)c1)[*:1]
C/C=C/C[C@@H](C(=O)[O-])c1cccc(Cl)c1 CC=C[*:1] O=C([O-])[C@H](C[*:1])c1cccc(Cl)c1
C/C=C/C[C@@H](C(=O)[O-])c1cccc(Cl)c1 C/C=C/C[*:1] O=C([O-])[C@@H](c1cccc(Cl)c1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)CCN1CCOC1=O c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)CCN1CCOC1=O)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)CCN1CCOC1=O O=C1OCCN1C[*:1] Cc1ccc(cc1NC(=O)C[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)CCN1CCOC1=O O=C1OCCN1[*:1] Cc1ccc(cc1NC(=O)CC[*:1])-c1ncco1
c1ccc(-c2nnc([C@@H]3CCCN(Cc4ccncc4)C3)o2)nc1 c1cc(ccn1)C[*:1] c1ccc(nc1)-c1nnc(o1)[C@@H]1CCCN(C1)[*:1]
c1ccc(-c2nnc([C@@H]3CCCN(Cc4ccncc4)C3)o2)nc1 c1ccc(nc1)[*:1] c1cc(ccn1)CN1CCC[C@H](C1)c1nnc(o1)[*:1]
c1ccc(-c2nnc([C@@H]3CCCN(Cc4ccncc4)C3)o2)nc1 c1cc(ccn1)[*:1] c1ccc(nc1)-c1nnc(o1)[C@@H]1CCCN(C1)C[*:1]
Cc1ccc2c(c1C)[C@@H](N[C@@H]1CCCN(c3ccn(C)n3)C1=O)CCO2 Cn1ccc(n1)[*:1] Cc1ccc2OCC[C@H](N[C@@H]3CCCN(C3=O)[*:1])c2c1C
COc1ccc(C(=O)N2C[C@@H](C[NH+]3CCCC3)C[C@@H](CO)C2)cc1 COc1ccc(cc1)[*:1] O=C(N1C[C@H](C[C@@H](CO)C1)C[NH+]1CCCC1)[*:1]
C[NH2+][C@H](c1cccs1)C(C)(C)N1CCOCC1 c1csc(c1)[*:1] C[NH2+][C@H](C(C)(C)N1CCOCC1)[*:1]
CN(Cc1ccccc1)C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@H]1Cc2cc(ccc2N2CCCC[C@H]12)[N+](=O)[O-]
CN(Cc1ccccc1)C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 c1ccc(cc1)C[*:1] CN(C(=O)[C@H]1Cc2cc(ccc2N2CCCC[C@H]12)[N+](=O)[O-])[*:1]
CN(Cc1ccccc1)C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 O=[N+]([O-])[*:1] CN(Cc1ccccc1)C(=O)[C@H]1Cc2cc(ccc2N2CCCC[C@H]12)[*:1]
CC#CC[C@@H]([NH2+]CCC)C1(N(C)C)CCCCCC1 CCC[*:1] CC#CC[C@@H]([NH2+][*:1])C1(CCCCCC1)N(C)C
CC#CC[C@@H]([NH2+]CCC)C1(N(C)C)CCCCCC1 CN(C)[*:1] CC#CC[C@@H]([NH2+]CCC)C1(CCCCCC1)[*:1]
CC#CC[C@@H]([NH2+]CCC)C1(N(C)C)CCCCCC1 CC#CC[*:1] CCC[NH2+][C@@H](C1(CCCCCC1)N(C)C)[*:1]
CC#CC[C@@H]([NH2+]CCC)C1(N(C)C)CCCCCC1 CC#C[*:1] CCC[NH2+][C@H](C[*:1])C1(CCCCCC1)N(C)C
Cc1c(-c2ccnc(N3c4ccccc4C[C@H]3C)n2)nnc2nc(-c3ccco3)nn12 c1coc(c1)[*:1] Cc1c(nnc2nc(nn12)[*:1])-c1ccnc(n1)N1c2ccccc2C[C@H]1C
O=C(COc1cccc2c1CCC2=O)NC1CC1 O=C(NC1CC1)[*:1] O=C1CCc2c(cccc21)OC[*:1]
O=C(COc1cccc2c1CCC2=O)NC1CC1 C1CC1[*:1] O=C(COc1cccc2C(=O)CCc12)N[*:1]
CC[C@H](CO)NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CO)NC(=O)/C(=C\c1ccc2OCOc2c1)NC(=O)[*:1]
CC[C@H](CO)NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 c1cc2OCOc2cc1[*:1] CC[C@H](CO)NC(=O)C(=C[*:1])NC(=O)c1ccccc1
CC[C@H](CO)NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 CC[C@H](CO)NC(=O)C(=Cc1ccc2OCOc2c1)[*:1]
Cc1c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C O=[N+]([O-])[*:1] Cc1c(/C=C(\C#N)c2ccc(cc2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C O=[N+]([O-])c1ccc(cc1)[*:1] Cc1c(/C=C(\C#N)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(/C=C(\C#N)c2ccc(cc2)[N+](=O)[O-])c(=O)n(n1C)[*:1]
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(Br)o2)C1 Cc1ccccc1[*:1] C[C@@H]1C[C@@H](CN1C(=O)c1ccc(Br)o1)[*:1]
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(Br)o2)C1 Brc1ccc(o1)[*:1] Cc1ccccc1[C@H]1C[C@@H](C)N(C1)C(=O)[*:1]
COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)N1C[C@H](C)Cn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)N1C[C@H](C)Cn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1 COc1ccc(cc1)[*:1] C[C@H]1CN(c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C1)[*:1]
O=C(Nc1cccs1)N1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)C1 c1csc(c1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)C(=O)N1CCN(CC1)c1cccc(Cl)c1Cl
O=C(Nc1cccs1)N1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)C1 Clc1cccc(c1Cl)[*:1] O=C(Nc1cccs1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
CC(C)[C@H]1C(=O)NCCN1Cc1c(F)cccc1Br CC(C)[*:1] O=C1NCCN(Cc2c(F)cccc2Br)[C@H]1[*:1]
COc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(S(C)(=O)=O)c2)cc1 FC(F)(F)C[*:1] COc1ccc(cc1)CN(C(=O)c1cccc(c1)S(C)(=O)=O)[*:1]
COc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(S(C)(=O)=O)c2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CN(C[*:1])C(=O)c1cccc(c1)S(C)(=O)=O
COc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(S(C)(=O)=O)c2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N(CC(F)(F)F)C[*:1]
COc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(S(C)(=O)=O)c2)cc1 COc1ccc(cc1)C[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N(CC(F)(F)F)[*:1]
COc1ccc(CN(CC(F)(F)F)C(=O)c2cccc(S(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)CN(CC(F)(F)F)C(=O)c1cccc(c1)[*:1]
NC(=O)[C@@H](CNC(=O)Cn1ccccc1=O)Cc1ccc(F)cc1 NC(=O)[*:1] O=C(Cn1ccccc1=O)NC[C@@H](Cc1ccc(F)cc1)[*:1]
NC(=O)[C@@H](CNC(=O)Cn1ccccc1=O)Cc1ccc(F)cc1 O=c1ccccn1[*:1] NC(=O)[C@@H](CNC(=O)C[*:1])Cc1ccc(F)cc1
NC(=O)[C@@H](CNC(=O)Cn1ccccc1=O)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] NC(=O)[C@@H](CNC(=O)Cn1ccccc1=O)[*:1]
NC(=O)[C@@H](CNC(=O)Cn1ccccc1=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@@H](CNC(=O)Cn1ccccc1=O)C[*:1]
NC(=O)[C@@H](CNC(=O)Cn1ccccc1=O)Cc1ccc(F)cc1 O=c1ccccn1C[*:1] NC(=O)[C@@H](CNC(=O)[*:1])Cc1ccc(F)cc1
Cc1ccc(-c2nnc(SCCCCN3C(=O)c4ccccc4C3=O)o2)cc1 Cc1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1CCCCSc1nnc(o1)[*:1]
Cc1ccc(Cn2c([C@H](C)NC(=O)Cc3ccccc3)nc3ccccc32)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)Cn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
Cc1ccc(Cn2c([C@H](C)NC(=O)Cc3ccccc3)nc3ccccc32)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1C[*:1]
Cc1ccc(Cn2c([C@H](C)NC(=O)Cc3ccccc3)nc3ccccc32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1c(nc2ccccc21)[C@H](C)NC(=O)C[*:1]
Cc1ccc(Cn2c([C@H](C)NC(=O)Cc3ccccc3)nc3ccccc32)cc1 Cc1ccc(cc1)C[*:1] C[C@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1[*:1]
C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H]([NH2+][C@@H]1CC(=O)N(C1)c1ccccc1)[*:1]
C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(F)cn1 c1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H]1CC(=O)N(C1)[*:1])c1ccc(F)cn1
NC(=O)c1n[nH]c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc12 NC(=O)[*:1] O=C(Cc1cccc(c1)C(F)(F)F)Nc1ccc2[nH]nc(c2c1)[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc12 FC(F)(F)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)Cc1cccc(c1)[*:1]
COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)n2)c1 COc1ccc(OC)c(c1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CCCN1S(=O)(=O)c1cccs1
COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)n2)c1 c1csc(c1)[*:1] COc1ccc(OC)c(c1)-c1csc(n1)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
Cc1oc(-c2cccs2)nc1CSCCOc1ccccc1 c1csc(c1)[*:1] Cc1oc(nc1CSCCOc1ccccc1)[*:1]
Cc1oc(-c2cccs2)nc1CSCCOc1ccccc1 c1ccc(cc1)O[*:1] Cc1oc(nc1CSCC[*:1])-c1cccs1
Cc1oc(-c2cccs2)nc1CSCCOc1ccccc1 c1ccc(cc1)[*:1] Cc1oc(nc1CSCCO[*:1])-c1cccs1
Cc1cc(N2CCCC[C@@H]2C)n2nc(-c3ccccc3C)nc2n1 Cc1ccccc1[*:1] Cc1cc(N2CCCC[C@@H]2C)n2nc(nc2n1)[*:1]
CCCN[C@]1(C(N)=O)CCC[C@@H]([NH+](CC)CC)C1 NC(=O)[*:1] CCCN[C@@]1(CCC[C@H](C1)[NH+](CC)CC)[*:1]
CCCN[C@]1(C(N)=O)CCC[C@@H]([NH+](CC)CC)C1 CCC[*:1] CC[NH+](CC)[C@@H]1CCC[C@](C1)(N[*:1])C(N)=O
CCCN[C@]1(C(N)=O)CCC[C@@H]([NH+](CC)CC)C1 CCCN[*:1] CC[NH+](CC)[C@@H]1CCC[C@](C1)(C(N)=O)[*:1]
O=C([O-])[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 O=C([O-])[*:1] Clc1ccc(cc1)[C@H]([NH+]1CCCCC1)[*:1]
C#CCOC(=O)c1cccc(OCC(F)F)n1 FC(F)[*:1] C#CCOC(=O)c1cccc(n1)OC[*:1]
C#CCOC(=O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] C#CCOC(=O)c1cccc(n1)[*:1]
C#CCOC(=O)c1cccc(OCC(F)F)n1 C#CC[*:1] O=C(O[*:1])c1cccc(n1)OCC(F)F
C#CCOC(=O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] C#CCOC(=O)c1cccc(n1)O[*:1]
COC(=O)C[C@@H](C)S[C@H]1CCN(c2c(F)cccc2F)C1=O COC(=O)C[*:1] C[C@@H](S[C@H]1CCN(C1=O)c1c(F)cccc1F)[*:1]
COC(=O)C[C@@H](C)S[C@H]1CCN(c2c(F)cccc2F)C1=O COC(=O)C[C@@H](C)[*:1] O=C1[C@H](CCN1c1c(F)cccc1F)S[*:1]
COC(=O)C[C@@H](C)S[C@H]1CCN(c2c(F)cccc2F)C1=O COC(=O)[*:1] C[C@H](C[*:1])S[C@H]1CCN(C1=O)c1c(F)cccc1F
COc1cccc([C@H](CO)NC(=O)Cc2csc(C(C)(C)C)n2)c1 COc1cccc(c1)[*:1] CC(C)(C)c1nc(cs1)CC(=O)N[C@@H](CO)[*:1]
COc1cccc([C@H](CO)NC(=O)Cc2csc(C(C)(C)C)n2)c1 CC(C)(C)[*:1] COc1cccc(c1)[C@H](CO)NC(=O)Cc1csc(n1)[*:1]
COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)c1cccs1 c1csc(c1)[*:1] COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)[*:1]
COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)c1cccs1 COC(=O)C[*:1] Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](c1cccs1)[*:1]
COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)c1cccs1 COC(=O)[*:1] Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C[*:1])c1cccs1
Cc1ccc(NC(=O)COC(=O)c2ccnc3ccccc23)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(COC(=O)c1ccnc2ccccc12)N[*:1]
Cc1c(CNC(=O)Nc2cccc(N3CCCCCC3)c2)cnn1C Cc1c(cnn1C)C[*:1] O=C(Nc1cccc(c1)N1CCCCCC1)N[*:1]
Cc1c(CNC(=O)Nc2cccc(N3CCCCCC3)c2)cnn1C C1CCCN(CC1)[*:1] Cc1c(cnn1C)CNC(=O)Nc1cccc(c1)[*:1]
Cc1c(CNC(=O)Nc2cccc(N3CCCCCC3)c2)cnn1C Cc1c(cnn1C)[*:1] O=C(NC[*:1])Nc1cccc(c1)N1CCCCCC1
Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1OC[C@H]1CCCO1 Cc1cc(Br)ccc1[*:1] O=C(CO[*:1])Nc1ccccc1OC[C@H]1CCCO1
CCc1ccc2c(C[NH2+][C@@H](C)C(C)(C)C)cc(=O)oc2c1 CC(C)(C)[*:1] CCc1ccc2c(cc(=O)oc2c1)C[NH2+][C@@H](C)[*:1]
Cc1noc(CCCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 Cc1noc(n1)[*:1] C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCC[*:1]
CCCn1c(C)cc(C(=O)C[NH+](C)C2CCOCC2)c1C C1CC(CCO1)[*:1] CCCn1c(C)cc(C(=O)C[NH+](C)[*:1])c1C
CCCn1c(C)cc(C(=O)C[NH+](C)C2CCOCC2)c1C CCC[*:1] Cc1cc(C(=O)C[NH+](C)C2CCOCC2)c(C)n1[*:1]
C/C=C/C=C/C=C/C(=O)O[C@H]1C=C(C=O)[C@](O)(C(=O)[O-])[C@@]2(C)CCCC(C)(C)[C@@H]12 O=C([O-])[*:1] C/C=C/C=C/C=C/C(=O)O[C@H]1C=C(C=O)[C@](O)([C@@]2(C)CCCC(C)(C)[C@@H]12)[*:1]
C/C=C/C=C/C=C/C(=O)O[C@H]1C=C(C=O)[C@](O)(C(=O)[O-])[C@@]2(C)CCCC(C)(C)[C@@H]12 CC=C[*:1] CC1(C)CCC[C@@]2(C)[C@@H]1[C@H](C=C(C=O)[C@]2(O)C(=O)[O-])OC(=O)/C=C/C=C[*:1]
C/C=C/C=C/C=C/C(=O)O[C@H]1C=C(C=O)[C@](O)(C(=O)[O-])[C@@]2(C)CCCC(C)(C)[C@@H]12 C/C=C/C=C/C=C[*:1] CC1(C)CCC[C@@]2(C)[C@@H]1[C@H](C=C(C=O)[C@]2(O)C(=O)[O-])OC(=O)[*:1]
C/C=C/C=C/C=C/C(=O)O[C@H]1C=C(C=O)[C@](O)(C(=O)[O-])[C@@]2(C)CCCC(C)(C)[C@@H]12 C/C=C/C=C[*:1] CC1(C)CCC[C@@]2(C)[C@@H]1[C@H](C=C(C=O)[C@]2(O)C(=O)[O-])OC(=O)C=C[*:1]
O=c1c2ccccc2cnn1C[C@H](O)COCc1cccs1 c1csc(c1)C[*:1] O=c1c2ccccc2cnn1C[C@H](O)CO[*:1]
O=c1c2ccccc2cnn1C[C@H](O)COCc1cccs1 c1csc(c1)CO[*:1] O=c1c2ccccc2cnn1C[C@H](O)C[*:1]
O=c1c2ccccc2cnn1C[C@H](O)COCc1cccs1 c1csc(c1)[*:1] O=c1c2ccccc2cnn1C[C@H](O)COC[*:1]
C[C@@]1(n2nc(N)cc2C(F)(F)F)CCS(=O)(=O)C1 FC(F)(F)[*:1] C[C@]1(CCS(=O)(=O)C1)n1nc(N)cc1[*:1]
COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCN(C)CC2)c1 COc1cccc(c1)[*:1] Cc1nc2sc(c([O-])n2n1)[C@@H]([NH+]1CCN(C)CC1)[*:1]
C=CCN1C(=O)c2ccc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2C1=O C=CC[*:1] N#CC(C(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])=C1Nc2ccccc2N1
Cc1nnc(SCC(=O)NC2CCC(C)CC2)s1 Cc1nnc(s1)[*:1] CC1CCC(CC1)NC(=O)CS[*:1]
C[C@@H](NC(=O)c1ccnc(OC2CCC2)c1)c1nc2ccccc2[nH]1 C1CC(C1)[*:1] C[C@@H](NC(=O)c1ccnc(c1)O[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)c1ccnc(OC2CCC2)c1)c1nc2ccccc2[nH]1 C1CC(C1)O[*:1] C[C@@H](NC(=O)c1ccnc(c1)[*:1])c1nc2ccccc2[nH]1
CCSCC[C@@H](C)N(C)C(=O)NCc1cnn(C)c1 CCSC[*:1] C[C@H](C[*:1])N(C)C(=O)NCc1cnn(C)c1
CCSCC[C@@H](C)N(C)C(=O)NCc1cnn(C)c1 CCSCC[*:1] C[C@@H](N(C)C(=O)NCc1cnn(C)c1)[*:1]
CCSCC[C@@H](C)N(C)C(=O)NCc1cnn(C)c1 CCS[*:1] C[C@H](CC[*:1])N(C)C(=O)NCc1cnn(C)c1
CCSCC[C@@H](C)N(C)C(=O)NCc1cnn(C)c1 Cn1cc(cn1)[*:1] CCSCC[C@@H](C)N(C)C(=O)NC[*:1]
Cc1ccc(-c2nc(C[NH+]3CCc4nn(C)c(=O)cc4C3)no2)cc1 Cc1ccc(cc1)[*:1] Cn1nc2CC[NH+](Cc3noc(n3)[*:1])Cc2cc1=O
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1c(O)cc(F)cc1F Oc1cc(F)cc(F)c1[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)N1CCOCC1
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1c(O)cc(F)cc1F O=C(N1CCOCC1)[*:1] Cc1ccc(cc1NC(=O)c1c(O)cc(F)cc1F)[*:1]
CCC(=O)N[C@H]1CCCN(c2ccc(C(N)=O)nn2)C1 CCC(=O)N[*:1] NC(=O)c1ccc(nn1)N1CCC[C@@H](C1)[*:1]
CCC(=O)N[C@H]1CCCN(c2ccc(C(N)=O)nn2)C1 NC(=O)[*:1] CCC(=O)N[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
COc1ccccc1-n1nnnc1SCC(C)=O CC(=O)[*:1] COc1ccccc1-n1nnnc1SC[*:1]
COc1ccccc1-n1nnnc1SCC(C)=O CC(=O)C[*:1] COc1ccccc1-n1nnnc1S[*:1]
COc1ccccc1-n1nnnc1SCC(C)=O CC(=O)CS[*:1] COc1ccccc1-n1nnnc1[*:1]
CN=[S@](=O)(C[C@]1(O)CCC[C@]12C=CCO2)c1ccccc1 c1ccc(cc1)[*:1] CN=[S@](=O)(C[C@]1(O)CCC[C@]12C=CCO2)[*:1]
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1ccccc1Cl)c1ccc(C)cc12 Clc1ccccc1OC[*:1] CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(C[*:1])c1ccc(C)cc12
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1ccccc1Cl)c1ccc(C)cc12 Clc1ccccc1[*:1] CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCO[*:1])c1ccc(C)cc12
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1ccccc1Cl)c1ccc(C)cc12 Clc1ccccc1O[*:1] CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CC[*:1])c1ccc(C)cc12
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1ccccc1Cl)c1ccc(C)cc12 Clc1ccccc1OCC[*:1] CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(c1ccc(C)cc12)[*:1]
COC[C@@H](O)CN(C)c1ccc(S(N)(=O)=O)c(N)c1 COC[C@@H](O)[*:1] CN(C[*:1])c1ccc(c(N)c1)S(N)(=O)=O
COC[C@@H](O)CN(C)c1ccc(S(N)(=O)=O)c(N)c1 COC[C@@H](O)C[*:1] CN(c1ccc(c(N)c1)S(N)(=O)=O)[*:1]
COC[C@@H](O)CN(C)c1ccc(S(N)(=O)=O)c(N)c1 COC[*:1] CN(C[C@H](O)[*:1])c1ccc(c(N)c1)S(N)(=O)=O
COC[C@@H](O)CN(C)c1ccc(S(N)(=O)=O)c(N)c1 NS(=O)(=O)[*:1] COC[C@@H](O)CN(C)c1ccc(c(N)c1)[*:1]
Cc1nc(CN2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cs1 Cc1nc(cs1)C[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)CN1CCN(CC1)[*:1]
Cc1nc(CN2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cs1 Cc1nc(cs1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)CN1CCN(CC1)C[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1F)[C@@H](Br)C2=O Fc1ccccc1[*:1] CC1(C)[C@]2(C)CC[C@@]1(C(=O)N[*:1])[C@@H](Br)C2=O
CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 CC(=O)N[*:1] O=S(=O)(c1cccc(c1)C(F)(F)F)N1CCC[C@@H](C1)C[*:1]
CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CC(=O)NC[C@H]1CCCN(C1)S(=O)(=O)c1cccc(c1)[*:1]
CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 CC(=O)NC[*:1] O=S(=O)(c1cccc(c1)C(F)(F)F)N1CCC[C@@H](C1)[*:1]
CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(CC(C)C)cc1 CC(C)C[*:1] CC(C)Cc1ccc(cc1)[C@H]1C[C@@H]1C[NH2+][*:1]
CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(CC(C)C)cc1 CC(C)[*:1] CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(cc1)C[*:1]
CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(CC(C)C)cc1 CC(C)[*:1] CC(C)Cc1ccc(cc1)[C@H]1C[C@@H]1C[NH2+]C[*:1]
CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(CC(C)C)cc1 CC(C)C[*:1] CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(cc1)[*:1]
CNc1nc(CNc2cc(C)[nH+]c3ccc(F)cc23)cs1 CNc1nc(cs1)[*:1] Cc1cc(NC[*:1])c2cc(F)ccc2[nH+]1
CC1(C)CCC([NH+]2CCn3c(nnc3-c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CC1(C)CCC(CC1)[NH+]1CCn2c(C1)nnc2[*:1]
C[C@H](CNC(=O)c1cscn1)Oc1ccccc1F c1nc(cs1)[*:1] C[C@H](CNC(=O)[*:1])Oc1ccccc1F
Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C#N)C3CC3)o2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1cnc(CCC(=O)O[C@@H](C#N)[*:1])o1
Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C#N)C3CC3)o2)cc1 Cc1ccc(cc1)[*:1] N#C[C@H](OC(=O)CCc1ncc(o1)[*:1])C1CC1
C[C@@H]1Oc2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cccc2[C@@H]1C C1CC1[*:1] C[C@@H]1Oc2c(cccc2[C@@H]1C)C(=O)N1CCN(CC1)C(=O)[*:1]
C[C@H](Sc1nnc(C(C)(C)C)n1N)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1N)C(C)(C)C)C(=O)NC[*:1]
C[C@H](Sc1nnc(C(C)(C)C)n1N)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Sc1nnc(n1N)C(C)(C)C)C(=O)N[*:1]
C[C@H](Sc1nnc(C(C)(C)C)n1N)C(=O)NCc1ccccc1 CC(C)(C)[*:1] C[C@H](Sc1nnc(n1N)[*:1])C(=O)NCc1ccccc1
O=c1c2[nH]c3ccccc3c2ncn1CCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=c1c2[nH]c3ccccc3c2ncn1CC[*:1]
C[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCOc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N(C)CCOc1ccccc1
C[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCOc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCO[*:1]
C[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCOc1ccccc1 c1ccc(cc1)OC[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N(C)C[*:1]
C[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCOc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC[*:1]
CC[C@H](C)C[NH2+]C[C@H](O)c1cnn(C)c1 CC[C@H](C)[*:1] Cn1cc(cn1)[C@@H](O)C[NH2+]C[*:1]
CC[C@H](C)C[NH2+]C[C@H](O)c1cnn(C)c1 CC[C@H](C)C[*:1] Cn1cc(cn1)[C@@H](O)C[NH2+][*:1]
CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)[*:1] O=C(Nc1ccc(F)c(Cl)c1)[C@@H](NS(=O)(=O)c1cccc2nsnc12)[*:1]
CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)N[*:1]
CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1ccc(F)c(Cl)c1 c1cc(c2nsnc2c1)[*:1] CC(C)[C@H](NS(=O)(=O)[*:1])C(=O)Nc1ccc(F)c(Cl)c1
Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCNc1ccccc1 c1ccc(cc1)NC[*:1] Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1C[*:1]
Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCNc1ccccc1 c1ccc(cc1)[*:1] Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN[*:1]
Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCNc1ccccc1 c1ccc(cc1)N[*:1] Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC[*:1]
CC[C@H]1CN(C(=O)NCCNC(C)=O)CC[C@@H]1c1ccccc1 CC(=O)NCC[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)N[*:1]
CC[C@H]1CN(C(=O)NCCNC(C)=O)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@H]1[*:1])C(=O)NCCNC(C)=O
CC[C@H]1CN(C(=O)NCCNC(C)=O)CC[C@@H]1c1ccccc1 CC(=O)NC[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)NC[*:1]
CC[C@H]1CN(C(=O)NCCNC(C)=O)CC[C@@H]1c1ccccc1 CC(=O)N[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)NCC[*:1]
CC[C@H](CSC)N(C)c1snc(Cl)c1C#N CSC[*:1] CC[C@H](N(C)c1snc(Cl)c1C#N)[*:1]
Cn1cc[nH+]c1NCCOCC(=O)[O-] O=C([O-])[*:1] Cn1cc[nH+]c1NCCOC[*:1]
Cn1cc[nH+]c1NCCOCC(=O)[O-] O=C([O-])C[*:1] Cn1cc[nH+]c1NCCO[*:1]
COc1ccccc1-n1nnnc1SCC(=O)NCc1ccco1 c1coc(c1)C[*:1] COc1ccccc1-n1nnnc1SCC(=O)N[*:1]
COc1ccccc1-n1nnnc1SCC(=O)NCc1ccco1 c1coc(c1)[*:1] COc1ccccc1-n1nnnc1SCC(=O)NC[*:1]
COc1ccccc1-n1nnnc1SCC(=O)NCc1ccco1 COc1ccccc1[*:1] O=C(CSc1nnnn1[*:1])NCc1ccco1
COCCn1c2c(c(=O)[nH]c1=O)[C@H](C(=O)Nc1ccc(F)cc1F)CC(O)=N2 COCC[*:1] O=C(Nc1ccc(F)cc1F)[C@@H]1CC(O)=Nc2c1c(=O)[nH]c(=O)n2[*:1]
COCCn1c2c(c(=O)[nH]c1=O)[C@H](C(=O)Nc1ccc(F)cc1F)CC(O)=N2 COC[*:1] O=C(Nc1ccc(F)cc1F)[C@@H]1CC(O)=Nc2c1c(=O)[nH]c(=O)n2C[*:1]
COCCn1c2c(c(=O)[nH]c1=O)[C@H](C(=O)Nc1ccc(F)cc1F)CC(O)=N2 Fc1ccc(c(F)c1)[*:1] COCCn1c2N=C(O)C[C@@H](C(=O)N[*:1])c2c(=O)[nH]c1=O
CCN(C(=O)CCc1nc(C)no1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CCc1nc(C)no1)[*:1]
CCN(C(=O)CCc1nc(C)no1)c1ccccc1 Cc1noc(n1)[*:1] CCN(C(=O)CC[*:1])c1ccccc1
COC(=O)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc(-c2ccccc2)cc1 COC(=O)[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1[C@H](c2ccccc2)[C@@H]1[*:1]
COC(=O)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc(cc1)[*:1]
COC(=O)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)[C@H]1[C@@H](N1C(=O)c1ccc(cc1)-c1ccccc1)[*:1]
CSc1ccccc1C(=O)N[C@H](/C(N)=N/O)C1CC1 N/C(=N\O)[*:1] CSc1ccccc1C(=O)N[C@H](C1CC1)[*:1]
CSc1ccccc1C(=O)N[C@H](/C(N)=N/O)C1CC1 C1CC1[*:1] CSc1ccccc1C(=O)N[C@H](/C(N)=N/O)[*:1]
CC(C)(C)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccn1 CC(C)(C)CC[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
CC(C)(C)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccn1 CC(C)(C)[*:1] O=C(NCCC[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
CC(C)(C)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccn1 CC(C)(C)C[*:1] O=C(NCC[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
CC(C)(C)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccn1 CC(C)(C)CCC[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
CC(C)(C)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccn1 c1ccc(nc1)[*:1] CC(C)(C)CCCNC(=O)[C@@H]1CCCN1C(=O)[*:1]
O=C(Nc1nc2c(s1)CN(Cc1ccc([N+](=O)[O-])cc1)CC2)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1nc2CCN(Cc3ccc(cc3)[N+](=O)[O-])Cc2s1)[*:1]
O=C(Nc1nc2c(s1)CN(Cc1ccc([N+](=O)[O-])cc1)CC2)c1ccccn1 O=C(N[*:1])c1ccccn1 O=[N+]([O-])c1ccc(cc1)CN1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(Cc1ccc([N+](=O)[O-])cc1)CC2)c1ccccn1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C[*:1])c1ccccn1
O=C(Nc1nc2c(s1)CN(Cc1ccc([N+](=O)[O-])cc1)CC2)c1ccccn1 O=[N+]([O-])[*:1] O=C(Nc1nc2CCN(Cc3ccc(cc3)[*:1])Cc2s1)c1ccccn1
CC(=O)N[C@@H]1[C@H](Oc2ccc(Cl)cc2Cl)O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@@H](C)C(=O)[O-] CC(=O)N[*:1] C[C@H](O[C@@H]1[C@@H]([C@H](Oc2ccc(Cl)cc2Cl)O[C@H]2COC(C)(C)O[C@@H]21)[*:1])C(=O)[O-]
CC(=O)N[C@@H]1[C@H](Oc2ccc(Cl)cc2Cl)O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@@H](C)C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H]1[C@H](Oc2ccc(Cl)cc2Cl)O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@@H](C)[*:1]
CC(=O)N[C@@H]1[C@H](Oc2ccc(Cl)cc2Cl)O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@@H](C)C(=O)[O-] Clc1ccc(c(Cl)c1)[*:1] CC(=O)N[C@@H]1[C@@H](O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@@H](C)C(=O)[O-])O[*:1]
CC(=O)N[C@@H]1[C@H](Oc2ccc(Cl)cc2Cl)O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@@H](C)C(=O)[O-] Clc1ccc(O[*:1])c(Cl)c1 CC(=O)N[C@@H]1[C@H](O[C@H]2COC(C)(C)O[C@@H]2[C@@H]1O[C@@H](C)C(=O)[O-])[*:1]
COCC(=O)N1CC[C@]2(O)CCN(C(=O)c3ccc(OC)o3)C[C@@H]2C1 COC[*:1] COc1ccc(o1)C(=O)N1CC[C@@]2(O)CCN(C[C@H]2C1)C(=O)[*:1]
COCC(=O)N1CC[C@]2(O)CCN(C(=O)c3ccc(OC)o3)C[C@@H]2C1 COc1ccc(o1)[*:1] COCC(=O)N1CC[C@]2(O)CCN(C[C@@H]2C1)C(=O)[*:1]
CN1C(=O)N(CC(=O)[O-])C(=O)C12CCCCC2 O=C([O-])C[*:1] CN1C(=O)N(C(=O)C12CCCCC2)[*:1]
CN1C(=O)N(CC(=O)[O-])C(=O)C12CCCCC2 O=C([O-])[*:1] CN1C(=O)N(C[*:1])C(=O)C12CCCCC2
Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=S)N[*:1])c(=O)[nH]c2c1
Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 c1cncc(c1)[*:1] Cc1cc(C)c2cc(CN(C[*:1])C(=S)Nc3ccccc3)c(=O)[nH]c2c1
Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 c1cncc(c1)C[*:1] Cc1cc(C)c2cc(CN(C(=S)Nc3ccccc3)[*:1])c(=O)[nH]c2c1
CC(C)C(=O)NCCNC(=O)c1csc(-c2cnccn2)n1 c1cnc(cn1)[*:1] CC(C)C(=O)NCCNC(=O)c1csc(n1)[*:1]
CC(C)C(=O)NCCNC(=O)c1csc(-c2cnccn2)n1 CC(C)C(=O)N[*:1] O=C(NCC[*:1])c1csc(n1)-c1cnccn1
CC(C)C(=O)NCCNC(=O)c1csc(-c2cnccn2)n1 CC(C)C(=O)NC[*:1] O=C(NC[*:1])c1csc(n1)-c1cnccn1
CC(C)C(=O)NCCNC(=O)c1csc(-c2cnccn2)n1 CC(C)[*:1] O=C(NCCNC(=O)[*:1])c1csc(n1)-c1cnccn1
O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 Clc1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
COc1ccc(C)cc1[C@@H](C)NC(=O)CSc1nnnn1C Cn1nnnc1S[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)C[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)CSc1nnnn1C Cn1nnnc1[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)CS[*:1]
COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C1C[C@@H](c2c(nn(-c3ccccc3)c2N1)-c1ccc(Cl)cc1)[*:1]
COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1CC(=O)Nc2c1c(nn2[*:1])-c1ccc(Cl)cc1
COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)c(OC)c1 Clc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1CC(=O)Nc2c1c(nn2-c1ccccc1)[*:1]
COc1cc(NC(=O)COc2coc(C)cc2=O)ccc1-n1nc(C)cc1C Cc1cc(=O)c(co1)O[*:1] COc1cc(ccc1-n1nc(C)cc1C)NC(=O)C[*:1]
COc1cc(NC(=O)COc2coc(C)cc2=O)ccc1-n1nc(C)cc1C Cc1cc(C)n(n1)[*:1] COc1cc(ccc1[*:1])NC(=O)COc1coc(C)cc1=O
COc1cc(NC(=O)COc2coc(C)cc2=O)ccc1-n1nc(C)cc1C Cc1cc(=O)c(co1)[*:1] COc1cc(ccc1-n1nc(C)cc1C)NC(=O)CO[*:1]
C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc2ccccc2c1 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)Cc1ccc2ccccc2c1)[*:1]
CCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 CC(C)C[*:1] CCc1ccc(cc1)C(=O)N[C@@H](C(=O)[O-])[*:1]
CCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 CC(C)[*:1] CCc1ccc(cc1)C(=O)N[C@@H](C[*:1])C(=O)[O-]
CCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 O=C([O-])[*:1] CCc1ccc(cc1)C(=O)N[C@@H](CC(C)C)[*:1]
NC(=O)c1cncc(Oc2ccc(Br)c(C=O)c2)n1 NC(=O)[*:1] O=Cc1cc(ccc1Br)Oc1cncc(n1)[*:1]
CCOc1ccc(CCC2CCN(c3nccn(CC)c3=O)CC2)cc1 CCO[*:1] CCn1ccnc(c1=O)N1CCC(CCc2ccc(cc2)[*:1])CC1
COc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nnnc1S[C@H](C)C(=O)N[*:1]
COc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H](C)Sc1nnnn1[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccccc1-c1ncc[nH]1 c1c[nH]c(n1)[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccccc1[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccccc1-c1ncc[nH]1 Cc1nn(C)c(Cl)c1[*:1] O=C(C=C[*:1])Nc1ccccc1-c1ncc[nH]1
O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)Nc1cccnc1 c1cncc(c1)[*:1] O=C(CNS(=O)(=O)c1cc(ccc1Cl)C(F)(F)F)N[*:1]
O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)Nc1cccnc1 FC(F)(F)[*:1] O=C(CNS(=O)(=O)c1cc(ccc1Cl)[*:1])Nc1cccnc1
CCC[C@@](O)(c1ccccc1)[C@]1(C[NH3+])CC[C@H](C)C1 c1ccc(cc1)[*:1] CCC[C@@](O)([C@]1(C[NH3+])CC[C@H](C)C1)[*:1]
CCC[C@@](O)(c1ccccc1)[C@]1(C[NH3+])CC[C@H](C)C1 CCC[*:1] C[C@H]1CC[C@](C[NH3+])(C1)[C@@](O)(c1ccccc1)[*:1]
O=C(Cc1cnc(-n2cccc2)s1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cc1cnc(s1)-n1cccc1)N[*:1]
O=C(Cc1cnc(-n2cccc2)s1)Nc1cccc(Cl)c1 c1ccn(c1)[*:1] O=C(Cc1cnc(s1)[*:1])Nc1cccc(Cl)c1
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=C(Nc1ccc(cc1)N1CCNC1=O)c1ccc(cc1)[*:1]
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(-n2cccn2)cc1 O=C1NCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)-n1cccn1
CC(C)(CCS(C)(=O)=O)NS(=O)(=O)CC1CCC1 CS(=O)(=O)CC[*:1] CC(C)(NS(=O)(=O)CC1CCC1)[*:1]
CC(C)(CCS(C)(=O)=O)NS(=O)(=O)CC1CCC1 CS(=O)(=O)[*:1] CC(C)(CC[*:1])NS(=O)(=O)CC1CCC1
CC(C)(CCS(C)(=O)=O)NS(=O)(=O)CC1CCC1 C1CC(C1)C[*:1] CC(C)(CCS(C)(=O)=O)NS(=O)(=O)[*:1]
CC(C)(CCS(C)(=O)=O)NS(=O)(=O)CC1CCC1 CS(=O)(=O)C[*:1] CC(C)(C[*:1])NS(=O)(=O)CC1CCC1
CC(C)(CCS(C)(=O)=O)NS(=O)(=O)CC1CCC1 C1CC(C1)[*:1] CC(C)(CCS(C)(=O)=O)NS(=O)(=O)C[*:1]
Cc1cc(C)cc(Nc2ncnc(NCC[NH+]3CCCCC3)c2N)c1 Cc1cc(C)cc(c1)[*:1] Nc1c(ncnc1N[*:1])NCC[NH+]1CCCCC1
Cn1c(=O)c(=O)n(CCC(=O)NCc2cccc(F)c2)c2ccccc21 Fc1cccc(c1)C[*:1] Cn1c(=O)c(=O)n(CCC(=O)N[*:1])c2ccccc21
Cn1c(=O)c(=O)n(CCC(=O)NCc2cccc(F)c2)c2ccccc21 Fc1cccc(c1)[*:1] Cn1c(=O)c(=O)n(CCC(=O)NC[*:1])c2ccccc21
COC(=O)NCCC(=O)N[C@@H](C)C(C)(C)C CC(C)(C)[*:1] COC(=O)NCCC(=O)N[C@@H](C)[*:1]
COC(=O)NCCC(=O)N[C@@H](C)C(C)(C)C COC(=O)N[*:1] C[C@H](NC(=O)CC[*:1])C(C)(C)C
Cn1c(Cl)cnc1C[S@@](=O)Cc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] Cn1c(Cl)cnc1C[S@@](=O)Cc1ccc(cc1)[*:1]
Cn1c(Cl)cnc1C[S@@](=O)Cc1ccc(-n2cccn2)cc1 Cn1c(Cl)cnc1[*:1] O=[S@@](Cc1ccc(cc1)-n1cccn1)C[*:1]
COc1ccc(C(C)C)cc1S(=O)(=O)N1CCc2ccccc21 CC(C)[*:1] COc1ccc(cc1S(=O)(=O)N1CCc2ccccc21)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1F OCC[*:1] C[C@H](N(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1F)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1F c1ccc(cc1)[*:1] C[C@H](CCO)N(C[*:1])C(=O)Nc1cc(Cl)ccc1F
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1F c1ccc(cc1)C[*:1] C[C@H](CCO)N(C(=O)Nc1cc(Cl)ccc1F)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1F Fc1ccc(Cl)cc1[*:1] C[C@H](CCO)N(Cc1ccccc1)C(=O)N[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(c1)[*:1]
O=C([O-])COc1ccc(Br)cc1/C=C1\C(=O)Nc2ccc(Br)cc21 O=C([O-])CO[*:1] O=C1Nc2ccc(Br)cc2/C1=C/c1cc(Br)ccc1[*:1]
O=C([O-])COc1ccc(Br)cc1/C=C1\C(=O)Nc2ccc(Br)cc21 O=C([O-])[*:1] O=C1Nc2ccc(Br)cc2/C1=C/c1cc(Br)ccc1OC[*:1]
O=C([O-])COc1ccc(Br)cc1/C=C1\C(=O)Nc2ccc(Br)cc21 O=C([O-])C[*:1] O=C1Nc2ccc(Br)cc2/C1=C/c1cc(Br)ccc1O[*:1]
Cc1ccc(-c2ccncc2)cc1NC(=O)c1c(C)c(C)nn(C)c1=O c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)c1c(C)c(C)nn(C)c1=O)[*:1]
CCc1ocnc1C(=O)O[C@@H](C)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CCc1ocnc1C(=O)O[C@@H](C)[*:1]
C#CC[C@@H](C)OC(=O)[C@@H]1COc2cc(OC)ccc2C1 C#CC[*:1] COc1ccc2C[C@@H](COc2c1)C(=O)O[C@H](C)[*:1]
COc1cccc([C@H](CNC(=O)N2CCCC[C@H]2C)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] C[C@@H]1CCCCN1C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
C[C@H](Nc1cccc(F)c1C(N)=S)[C@@H]1CCCO1 NC(=S)[*:1] C[C@H](Nc1cccc(F)c1[*:1])[C@@H]1CCCO1
C[C@H](Nc1cccc(F)c1C(N)=S)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](Nc1cccc(F)c1C(N)=S)[*:1]
NC(=O)C1CCN(c2nc3ncc4c(c3c(=O)[nH]2)C[C@H](c2ccco2)CC4=O)CC1 NC(=O)[*:1] O=C1C[C@H](Cc2c1cnc1nc([nH]c(=O)c21)N1CCC(CC1)[*:1])c1ccco1
NC(=O)C1CCN(c2nc3ncc4c(c3c(=O)[nH]2)C[C@H](c2ccco2)CC4=O)CC1 c1coc(c1)[*:1] NC(=O)C1CCN(CC1)c1nc2ncc3C(=O)C[C@@H](Cc3c2c(=O)[nH]1)[*:1]
NC(=O)C1CCN(c2nc3ncc4c(c3c(=O)[nH]2)C[C@H](c2ccco2)CC4=O)CC1 NC(=O)C1CCN(CC1)[*:1] O=C1C[C@H](Cc2c1cnc1nc([nH]c(=O)c21)[*:1])c1ccco1
O=C(C[C@H]1C(=O)Oc2ccccc2N1C(=O)c1ccc(F)cc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1C(=O)Oc2ccccc2N1C(=O)c1ccc(F)cc1)N[*:1]
O=C(C[C@H]1C(=O)Oc2ccccc2N1C(=O)c1ccc(F)cc1)Nc1ccccc1 Fc1ccc(cc1)[*:1] O=C(C[C@H]1C(=O)Oc2ccccc2N1C(=O)[*:1])Nc1ccccc1
O=C(C[C@H]1C(=O)Oc2ccccc2N1C(=O)c1ccc(F)cc1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C1Oc2ccccc2N(C(=O)c2ccc(F)cc2)[C@H]1C[*:1]
O=C(C[C@H]1C(=O)Oc2ccccc2N1C(=O)c1ccc(F)cc1)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=C1Oc2ccccc2N(C(=O)c2ccc(F)cc2)[C@H]1[*:1]
CC(C)c1cccc2c1OCC[C@@H]2[NH2+]CC1(CO)CCOCC1 CC(C)[*:1] OCC1(CCOCC1)C[NH2+][C@H]1CCOc2c1cccc2[*:1]
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Br)cc1)n1ncnc1N2 c1csc(c1)[*:1] O=C1C[C@@H](CC2Nc3ncnn3[C@H](C=21)c1ccc(Br)cc1)[*:1]
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Br)cc1)n1ncnc1N2 Brc1ccc(cc1)[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@@H](C=21)[*:1])c1cccs1
Cc1nsc(NCCN2CCOCC2)c1C(=O)[O-] C1CN(CCO1)[*:1] Cc1nsc(NCC[*:1])c1C(=O)[O-]
Cc1nsc(NCCN2CCOCC2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NCCN2CCOCC2)c1[*:1]
CC(C)=CCC[C@@H](C)[NH2+]C[C@]1(O)CCOC1 CC(C)=CC[*:1] C[C@H](C[*:1])[NH2+]C[C@]1(O)CCOC1
CC(C)=CCC[C@@H](C)[NH2+]C[C@]1(O)CCOC1 CC(C)=C[*:1] C[C@H](CC[*:1])[NH2+]C[C@]1(O)CCOC1
C[C@@H](c1ccccn1)N(C)Cc1nnc(CC2CC[NH2+]CC2)n1-c1ccccc1 C[C@@H](c1ccccn1)[*:1] CN(Cc1nnc(CC2CC[NH2+]CC2)n1-c1ccccc1)[*:1]
C[C@@H](c1ccccn1)N(C)Cc1nnc(CC2CC[NH2+]CC2)n1-c1ccccc1 c1ccc(nc1)[*:1] C[C@@H](N(C)Cc1nnc(CC2CC[NH2+]CC2)n1-c1ccccc1)[*:1]
C[C@@H](c1ccccn1)N(C)Cc1nnc(CC2CC[NH2+]CC2)n1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](c1ccccn1)N(C)Cc1nnc(CC2CC[NH2+]CC2)n1[*:1]
CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C)cc1 CCO[*:1] CC(C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C)cc1 CC(C)[*:1] CCOc1ccc(cc1)NC(=O)[C@@H](C)[NH2+][C@@H](C)[*:1]
COc1ccc(C)cc1NC(=O)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)C[C@H](O)[*:1]
CC(C)C[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 CC(C)C[*:1] NC(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
CC(C)C[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)C[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]1[*:1]
CC(C)C[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 NC(=O)N[*:1] CC(C)C[C@@H](C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
CC(C)C[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 CC(C)[*:1] NC(=O)N[C@H](C[*:1])C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1
C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12)[*:1]
C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1cccs1 C[C@H](c1cccs1)[*:1] O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)N[*:1]
CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)N1CCC(C)CC1
NS(=O)(=O)c1ccc(CN[C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)cc1 NS(=O)(=O)[*:1] O=C1C[C@@H](NCc2ccc(cc2)[*:1])C(=O)N1c1cccc(Br)c1
NS(=O)(=O)c1ccc(CN[C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)cc1 Brc1cccc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)CN[C@@H]1CC(=O)N(C1=O)[*:1]
CN(Cc1nnc2n1CCCCC2)C(=O)C1CCN(c2nc3ccccc3o2)CC1 c1ccc2oc(nc2c1)[*:1] CN(Cc1nnc2CCCCCn21)C(=O)C1CCN(CC1)[*:1]
CN(Cc1nnc2n1CCCCC2)C(=O)C1CCN(c2nc3ccccc3o2)CC1 C1CCc2nnc(n2CC1)[*:1] CN(C[*:1])C(=O)C1CCN(CC1)c1nc2ccccc2o1
Cc1nn(CC(=O)O[C@H](C)c2c(F)cccc2Cl)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)O[C@H](C)c2c(F)cccc2Cl)c(C)c1[*:1]
Cc1nn(CC(=O)O[C@H](C)c2c(F)cccc2Cl)c(C)c1[N+](=O)[O-] Fc1cccc(Cl)c1[*:1] Cc1nn(CC(=O)O[C@H](C)[*:1])c(C)c1[N+](=O)[O-]
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1ccco1 c1ccc(cc1)[*:1] O=C(NCc1ccco1)[C@H]1CCn2c(ccc21)C(=O)[*:1]
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1ccco1 c1coc(c1)[*:1] O=C(c1ccccc1)c1ccc2[C@H](CCn12)C(=O)NC[*:1]
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1ccco1 O=C(c1ccccc1)[*:1] O=C(NCc1ccco1)[C@H]1CCn2c1ccc2[*:1]
O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(c1ccccc1)c1ccc2[C@H](CCn12)C(=O)N[*:1]
C[C@H]1CCc2nc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Cl)s4)C3)sc2C1 Clc1ccc(s1)[*:1] C[C@H]1CCc2nc(NC(=O)[C@H]3CCCN(C3)S(=O)(=O)[*:1])sc2C1
Cc1n[nH]c(C)c1NC(=O)N[C@H](CO)c1ccc(Cl)cc1 Cc1n[nH]c(C)c1[*:1] O=C(N[C@H](CO)c1ccc(Cl)cc1)N[*:1]
Cc1n[nH]c(C)c1NC(=O)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1NC(=O)N[C@H](CO)[*:1]
Cc1ccc(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 C(=C[*:1])c1ccccc1 Cc1ccc(cc1)CN1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN1CCN(CC1)S(=O)(=O)C=C[*:1]
Cc1ccc(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=S(=O)(/C=C/c1ccccc1)N1CCN(CC1)[*:1]
Cc1ccc(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(/C=C/c1ccccc1)N1CCN(CC1)C[*:1]
Cc1ccccc1-c1csc(NC(=O)CNC(=O)c2cccs2)n1 c1csc(c1)[*:1] Cc1ccccc1-c1csc(n1)NC(=O)CNC(=O)[*:1]
Cc1ccccc1-c1csc(NC(=O)CNC(=O)c2cccs2)n1 Cc1ccccc1[*:1] O=C(CNC(=O)c1cccs1)Nc1nc(cs1)[*:1]
Cc1ccccc1-c1csc(NC(=O)CNC(=O)c2cccs2)n1 O=C(N[*:1])c1cccs1 Cc1ccccc1-c1csc(n1)NC(=O)C[*:1]
CCc1[nH]c(C(=O)NC[C@@H](O)c2ccc(F)cc2F)c(C)c1C(=O)OC Fc1ccc(c(F)c1)[*:1] CCc1[nH]c(C(=O)NC[C@@H](O)[*:1])c(C)c1C(=O)OC
CCc1[nH]c(C(=O)NC[C@@H](O)c2ccc(F)cc2F)c(C)c1C(=O)OC COC(=O)[*:1] CCc1[nH]c(C(=O)NC[C@@H](O)c2ccc(F)cc2F)c(C)c1[*:1]
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(CN2C(=O)CCn3nccc32)cc1 O=C1CCn2nccc2N1[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)c1ccc(cc1)C[*:1]
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(CN2C(=O)CCn3nccc32)cc1 O=C1CCn2nccc2N1C[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)c1ccc(cc1)[*:1]
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(CN2C(=O)CCn3nccc32)cc1 c1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1ccc(cc1)CN1C(=O)CCn2nccc21
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(CN2C(=O)CCn3nccc32)cc1 c1ccc(cc1)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1ccc(cc1)CN1C(=O)CCn2nccc21
O=C(Nc1cccc([N+](=O)[O-])c1)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1cnc(s1)[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)c1cnc(Cc2ccccc2)s1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])c1cnc(Cc2ccccc2)s1
O=C(Nc1cccc([N+](=O)[O-])c1)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1cnc(C[*:1])s1
O=[N+]([O-])c1ccccc1OCCSc1nncs1 c1nnc(S[*:1])s1 O=[N+]([O-])c1ccccc1OCC[*:1]
O=[N+]([O-])c1ccccc1OCCSc1nncs1 c1nnc(s1)[*:1] O=[N+]([O-])c1ccccc1OCCS[*:1]
O=[N+]([O-])c1ccccc1OCCSc1nncs1 O=[N+]([O-])[*:1] c1ccc(c(c1)OCCSc1nncs1)[*:1]
CC[C@H]1CCC[C@](C[NH3+])([C@H](O)c2cccc(C3CC3)c2)C1 C1CC1[*:1] CC[C@H]1CCC[C@@](C[NH3+])(C1)[C@H](O)c1cccc(c1)[*:1]
COc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2Cl)c(OC)c1 Clc1ccccc1[*:1] COc1ccc(c(c1)OC)[C@@H](C)NS(=O)(=O)[*:1]
CSCCCNC(=O)Nc1ccc(Br)cc1Cl CSCC[*:1] O=C(NC[*:1])Nc1ccc(Br)cc1Cl
CSCCCNC(=O)Nc1ccc(Br)cc1Cl CSCCC[*:1] O=C(Nc1ccc(Br)cc1Cl)N[*:1]
CSCCCNC(=O)Nc1ccc(Br)cc1Cl CSC[*:1] O=C(NCC[*:1])Nc1ccc(Br)cc1Cl
CCOc1cc(CNC(=O)N2CCCCC[C@H]2c2ccncc2)ccn1 c1cc(ccn1)[*:1] CCOc1cc(ccn1)CNC(=O)N1CCCCC[C@@H]1[*:1]
CCOc1cc(CNC(=O)N2CCCCC[C@H]2c2ccncc2)ccn1 CCO[*:1] O=C(NCc1ccnc(c1)[*:1])N1CCCCC[C@H]1c1ccncc1
C[C@@H](C1CC1)N(C(=O)NOCc1ccccc1)C1CC1 C[C@@H](C1CC1)[*:1] O=C(NOCc1ccccc1)N(C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)NOCc1ccccc1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)NOCc1ccccc1)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)NOCc1ccccc1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)NOCc1ccccc1)[*:1]
C[C@@H](C1CC1)N(C(=O)NOCc1ccccc1)C1CC1 c1ccc(cc1)[*:1] C[C@@H](C1CC1)N(C(=O)NOC[*:1])C1CC1
CCn1cc[nH+]c1[C@@H](C[NH+](C)C)NC C[NH+](C)C[*:1] CCn1cc[nH+]c1[C@@H](NC)[*:1]
O=S(=O)(N[C@@H]1CCCC[C@H]1OC1CCCC1)c1cccs1 C1CCC(C1)O[*:1] O=S(=O)(N[C@@H]1CCCC[C@@H]1[*:1])c1cccs1
O=S(=O)(N[C@@H]1CCCC[C@H]1OC1CCCC1)c1cccs1 C1CCC(C1)[*:1] O=S(=O)(N[C@@H]1CCCC[C@H]1O[*:1])c1cccs1
O=S(=O)(N[C@@H]1CCCC[C@H]1OC1CCCC1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(N[C@@H]1CCCC[C@H]1OC1CCCC1)[*:1]
COc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)C(C)C)cc1 N#Cc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)N[C@H](C(=O)N[*:1])C(C)C
COc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1cccc(C#N)c1
COc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)[*:1]
Cc1cccc(C)c1OCCC(=O)Nc1ccccc1OC(F)(F)F FC(F)(F)[*:1] Cc1cccc(C)c1OCCC(=O)Nc1ccccc1O[*:1]
Cc1cccc(C)c1OCCC(=O)Nc1ccccc1OC(F)(F)F Cc1cccc(C)c1[*:1] O=C(CCO[*:1])Nc1ccccc1OC(F)(F)F
Cc1cccc(C)c1OCCC(=O)Nc1ccccc1OC(F)(F)F FC(F)(F)O[*:1] Cc1cccc(C)c1OCCC(=O)Nc1ccccc1[*:1]
Cc1n[nH]c2ncc(NC(=O)[C@@H](C(C)C)[NH+](C)C)cc12 CC(C)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)[C@@H]([NH+](C)C)[*:1]
COc1ccccc1NC(=O)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccccc1NC(=O)N1CCC(CC1)CO[*:1]
COc1ccccc1NC(=O)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)CO[*:1] COc1ccccc1NC(=O)N1CCC(CC1)C[*:1]
COc1ccccc1NC(=O)N1CCC(COCc2ccccc2)CC1 COc1ccccc1[*:1] O=C(N[*:1])N1CCC(CC1)COCc1ccccc1
COc1ccccc1NC(=O)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)N1CCC(CC1)COC[*:1]
Cc1ccc(-c2nc(CC(=O)OC[C@@H]3CC(=O)N(C4CC4)C3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])OC[C@@H]1CC(=O)N(C1)C1CC1
Cc1ccc(-c2nc(CC(=O)OC[C@@H]3CC(=O)N(C4CC4)C3)cs2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1nc(cs1)CC(=O)OC[C@@H]1CC(=O)N(C1)[*:1]
CC(C)Cn1ccnc(Oc2ccc(OCC(N)=O)cc2)c1=O NC(=O)CO[*:1] CC(C)Cn1ccnc(Oc2ccc(cc2)[*:1])c1=O
CC(C)Cn1ccnc(Oc2ccc(OCC(N)=O)cc2)c1=O NC(=O)[*:1] CC(C)Cn1ccnc(Oc2ccc(cc2)OC[*:1])c1=O
CC(C)Cn1ccnc(Oc2ccc(OCC(N)=O)cc2)c1=O CC(C)[*:1] NC(=O)COc1ccc(cc1)Oc1nccn(C[*:1])c1=O
CC(C)Cn1ccnc(Oc2ccc(OCC(N)=O)cc2)c1=O CC(C)C[*:1] NC(=O)COc1ccc(cc1)Oc1nccn(c1=O)[*:1]
CC(C)Cn1ccnc(Oc2ccc(OCC(N)=O)cc2)c1=O NC(=O)C[*:1] CC(C)Cn1ccnc(Oc2ccc(cc2)O[*:1])c1=O
CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c3ccccc23)cc1 CC(=O)[*:1] C[C@@H](Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc(cc1)[*:1]
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cc(C)n(C3CC3)c2C)o1 Cc1nnc(o1)[*:1] Cc1cc(CN2Cc3ccccc3C[C@@H]2[*:1])c(C)n1C1CC1
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cc(C)n(C3CC3)c2C)o1 C1CC1[*:1] Cc1nnc(o1)[C@H]1Cc2ccccc2CN1Cc1cc(C)n(c1C)[*:1]
CC(C)Sc1ccccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 CC(C)[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3S[*:1])sc2c1
CC(C)Sc1ccccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 CC(C)S[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3[*:1])sc2c1
CC(C)Sc1ccccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 CS(=O)(=O)[*:1] CC(C)Sc1ccccc1C(=O)Nc1nc2ccc(cc2s1)[*:1]
CC(C)(C)n1ncc2c(=O)n(NC(=O)CC3CCCCC3)cnc21 C1CCC(CC1)C[*:1] CC(C)(C)n1ncc2c(=O)n(cnc21)NC(=O)[*:1]
CC(C)(C)n1ncc2c(=O)n(NC(=O)CC3CCCCC3)cnc21 C1CCC(CC1)[*:1] CC(C)(C)n1ncc2c(=O)n(cnc21)NC(=O)C[*:1]
CC(C)(C)n1ncc2c(=O)n(NC(=O)CC3CCCCC3)cnc21 CC(C)(C)[*:1] O=C(CC1CCCCC1)Nn1cnc2c(cnn2[*:1])c1=O
COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)s2)cc1OC Cc1ccc(cc1C)[*:1] COc1ccc(cc1OC)C(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)s2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])s1
CCC[C@@H](NC(=O)Cn1ncc(Cl)c(Cl)c1=O)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](NC(=O)Cn1ncc(Cl)c(Cl)c1=O)[*:1]
CCC[C@@H](NC(=O)Cn1ncc(Cl)c(Cl)c1=O)c1ccccc1 CCC[*:1] O=C(Cn1ncc(Cl)c(Cl)c1=O)N[C@@H](c1ccccc1)[*:1]
O=C(CNc1ccccc1F)NCc1cccs1 c1csc(c1)C[*:1] O=C(CNc1ccccc1F)N[*:1]
O=C(CNc1ccccc1F)NCc1cccs1 c1csc(c1)[*:1] O=C(CNc1ccccc1F)NC[*:1]
COc1ccc2cc(C(=O)N3CCC(CC(=O)NCCC4=c5cc(C)ccc5=[NH+]C4)CC3)[nH]c2c1 COc1ccc2cc([nH]c2c1)[*:1] Cc1ccc2=[NH+]CC(CCNC(=O)CC3CCN(CC3)C(=O)[*:1])=c2c1
Cc1nc(C(C)(C)NC(=O)C2=Cc3ccccc3OC2)sc1C Cc1nc(sc1C)[*:1] CC(C)(NC(=O)C1=Cc2ccccc2OC1)[*:1]
Cn1ncc(N2CCN(C(=O)Cn3nc4ccccc4n3)CC2)cc1=O Cn1ncc(cc1=O)[*:1] O=C(Cn1nc2ccccc2n1)N1CCN(CC1)[*:1]
N#Cc1ccc(C(=O)/C=C/c2cnc(-c3cccs3)s2)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)C(=O)/C=C/c1cnc(s1)[*:1]
Cn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 Clc1ccc(c(Cl)c1)[*:1] Cn1c(nnc1[C@@H]1COc2ccccc2O1)SC[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)C1 Fc1ccc(cc1F)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@H](O[*:1])c1ccccc1
C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@H](Oc1ccc(F)c(F)c1)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)C1 Fc1ccc(cc1F)O[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@H](c1ccccc1)[*:1]
O=C(NCc1ccc2c(c1)OCCO2)c1ccccc1-n1cnnn1 c1nnnn1[*:1] O=C(NCc1ccc2OCCOc2c1)c1ccccc1[*:1]
C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2)C1=O c1cc2OCOc2cc1C[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1cccc(c1)C(=O)N1CCN(CC1)[*:1]
C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2)C1=O c1cc2OCOc2cc1[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1cccc(c1)C(=O)N1CCN(CC1)C[*:1]
C[C@H]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C[C@H]1O Fc1ccc(cc1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)N[C@@H](C1CCCC1)[*:1]
C[C@H]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C[C@H]1O C1CCC(C1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CCOC(=O)CC[NH2+][C@@H]1CC(C)(C)OC1(C)C CCOC(=O)[*:1] CC1(C)C[C@@H]([NH2+]CC[*:1])C(C)(C)O1
CC[C@H](NC(=O)NC[C@@H](C)Oc1ccccc1Cl)c1nc(C)cs1 Clc1ccccc1[*:1] CC[C@H](NC(=O)NC[C@@H](C)O[*:1])c1nc(C)cs1
CC[C@H](NC(=O)NC[C@@H](C)Oc1ccccc1Cl)c1nc(C)cs1 Clc1ccccc1O[*:1] CC[C@H](NC(=O)NC[C@@H](C)[*:1])c1nc(C)cs1
CC[C@H](NC(=O)NC[C@@H](C)Oc1ccccc1Cl)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)NC[C@@H](C)Oc1ccccc1Cl)[*:1]
CS[C@H](CO)[C@@H](C)NC(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] CS[C@H](CO)[C@@H](C)NC(=O)c1nc(n2ccccc12)[*:1]
Cc1ccc(C[C@H](C)NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])s1 Cc1ccc(s1)[*:1] C[C@@H](C[*:1])NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+]
CN(Cc1ccc(Br)s1)C(=O)CN1CCc2sccc2C1 Brc1ccc(C[*:1])s1 CN(C(=O)CN1CCc2sccc2C1)[*:1]
CN(Cc1ccc(Br)s1)C(=O)CN1CCc2sccc2C1 Brc1ccc(s1)[*:1] CN(C[*:1])C(=O)CN1CCc2sccc2C1
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)[C@@H]1C C1CC1[*:1] C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)nc(n3C)[*:1])[C@@H]1C
CN(C[C@H]1CCOC1)C(=O)Nc1ccccc1OC(C)(C)C CC(C)(C)[*:1] CN(C[C@H]1CCOC1)C(=O)Nc1ccccc1O[*:1]
CN(C[C@H]1CCOC1)C(=O)Nc1ccccc1OC(C)(C)C CC(C)(C)O[*:1] CN(C[C@H]1CCOC1)C(=O)Nc1ccccc1[*:1]
CC[C@H](C)CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O O=S(=O)(N1CCCC1)[*:1] CC[C@H](C)CN(C)C(=O)c1cc(ccc1O)[*:1]
CCc1nc([C@@H]2CCCN(c3ncnc4ccc(F)cc34)C2)no1 CCc1nc(no1)[*:1] Fc1ccc2ncnc(c2c1)N1CCC[C@H](C1)[*:1]
CC[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1ccc(OC)cc1 O=C(N[*:1])c1ccco1 CC[C@H](NC(=O)c1ccc(C)c(c1)[*:1])c1ccc(cc1)OC
CC[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1ccc(OC)cc1 c1coc(c1)[*:1] CC[C@H](NC(=O)c1ccc(C)c(c1)NC(=O)[*:1])c1ccc(cc1)OC
CC[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1ccc(C)c(c1)NC(=O)c1ccco1)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NC1CCN(CC1)[*:1]
CCOC(=O)CS[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)CS[C@H](C)C(=O)N1CCN(CC1)[*:1]
CCOC(=O)CS[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 CCOC(=O)[*:1] C[C@@H](SC[*:1])C(=O)N1CCN(CC1)c1ccccc1
CCOC(=O)CS[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 CCOC(=O)CS[*:1] C[C@H](C(=O)N1CCN(CC1)c1ccccc1)[*:1]
CCOC(=O)CS[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 CCOC(=O)C[*:1] C[C@@H](S[*:1])C(=O)N1CCN(CC1)c1ccccc1
C[C@@H](NC(=O)NCc1ccnc(-n2cccn2)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)-n1cccn1)[*:1]
C[C@@H](NC(=O)NCc1ccnc(-n2cccn2)c1)c1ccc(Cl)cc1 c1cnn(c1)[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)[*:1])c1ccc(Cl)cc1
Cc1ccc(C)c(C[NH+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1 O=C(Cc1ccccc1)N[*:1] Cc1ccc(C)c(c1)C[NH+]1CCc2nnc(C[*:1])n2CC1
Cc1ccc(C)c(C[NH+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C[NH+]1CCc2nnc(CNC(=O)C[*:1])n2CC1
Cc1ccc(C)c(C[NH+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cc1ccccc1)NCc1nnc2CC[NH+](CCn21)C[*:1]
Cc1ccc(C)c(C[NH+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)C[NH+]1CCc2nnc(CNC(=O)[*:1])n2CC1
Cc1ccc(C)c(C[NH+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1 Cc1ccc(C)c(c1)C[*:1] O=C(Cc1ccccc1)NCc1nnc2CC[NH+](CCn21)[*:1]
CCC[NH2+]C[C@@H](Cc1cscn1)c1ccccc1F c1nc(cs1)[*:1] CCC[NH2+]C[C@@H](C[*:1])c1ccccc1F
CCC[NH2+]C[C@@H](Cc1cscn1)c1ccccc1F c1nc(cs1)C[*:1] CCC[NH2+]C[C@@H](c1ccccc1F)[*:1]
CCC[NH2+]C[C@@H](Cc1cscn1)c1ccccc1F CCC[*:1] Fc1ccccc1[C@@H](C[NH2+][*:1])Cc1cscn1
Cc1ccc(Cn2nccc2NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)o1 O=C1CCC(=O)N1C[*:1] Cc1ccc(Cn2nccc2NC(=O)c2ccc(cc2)[*:1])o1
Cc1ccc(Cn2nccc2NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)o1 Cc1ccc(C[*:1])o1 O=C(Nc1ccnn1[*:1])c1ccc(cc1)CN1C(=O)CCC1=O
Cc1ccc(Cn2nccc2NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)o1 Cc1ccc(o1)[*:1] O=C(Nc1ccnn1C[*:1])c1ccc(cc1)CN1C(=O)CCC1=O
Cc1ccc(Cn2nccc2NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)o1 O=C1CCC(=O)N1[*:1] Cc1ccc(Cn2nccc2NC(=O)c2ccc(cc2)C[*:1])o1
COc1ccc2c(c1)CCCN2C(=O)CCCO OCC[*:1] COc1ccc2c(c1)CCCN2C(=O)C[*:1]
COc1ccc2c(c1)CCCN2C(=O)CCCO OCCC[*:1] COc1ccc2c(c1)CCCN2C(=O)[*:1]
CCCNC(=O)C[NH+](C)Cc1cn2c(C)cccc2[nH+]1 CCC[*:1] Cc1cccc2[nH+]c(cn12)C[NH+](C)CC(=O)N[*:1]
CCCNC(=O)C[NH+](C)Cc1cn2c(C)cccc2[nH+]1 CCCNC(=O)[*:1] Cc1cccc2[nH+]c(cn12)C[NH+](C)C[*:1]
Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1 CS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1)[*:1]
O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)C(=O)N1CCN(CC1)c1ccccc1Cl
O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 Clc1ccccc1[*:1] O=C(Nc1ccccc1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
COCCOc1ncccc1CNC(=O)C1=Cc2cc(F)ccc2OC1 COC[*:1] O=C(NCc1cccnc1OC[*:1])C1=Cc2cc(F)ccc2OC1
COCCOc1ncccc1CNC(=O)C1=Cc2cc(F)ccc2OC1 COCC[*:1] O=C(NCc1cccnc1O[*:1])C1=Cc2cc(F)ccc2OC1
COCCOc1ncccc1CNC(=O)C1=Cc2cc(F)ccc2OC1 COCCO[*:1] O=C(NCc1cccnc1[*:1])C1=Cc2cc(F)ccc2OC1
COc1cc(C[NH+](C)CC(=O)NCC2CCCCC2)ccc1O C1CCC(CC1)C[*:1] COc1cc(ccc1O)C[NH+](C)CC(=O)N[*:1]
COc1cc(C[NH+](C)CC(=O)NCC2CCCCC2)ccc1O C1CCC(CC1)[*:1] COc1cc(ccc1O)C[NH+](C)CC(=O)NC[*:1]
O=C(C1=CCCC1)N1CCC[C@@](CO)(CCCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(C1=CCCC1)N1CCC[C@](CO)(C1)C[*:1]
O=C(C1=CCCC1)N1CCC[C@@](CO)(CCCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(C1=CCCC1)N1CCC[C@@](CO)(CC[*:1])C1
O=C(C1=CCCC1)N1CCC[C@@](CO)(CCCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(C1=CCCC1)N1CCC[C@@](CO)(CCC[*:1])C1
Cc1ccc(CS(=O)(=O)CC(=O)NCC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)CS(=O)(=O)CC(=O)NC[*:1]
Cc1ccc(CS(=O)(=O)CC(=O)NCC(C)C)cc1 CC(C)C[*:1] Cc1ccc(cc1)CS(=O)(=O)CC(=O)N[*:1]
O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2 Clc1ccc(cc1)[*:1] O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1ccc(c(=O)n1C2)[*:1]
O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2 C1CCC(CC1)[*:1] O=C(N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2)[*:1]
CCCC(=O)NCC(=O)N(C)[C@@H](C)c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)CNC(=O)[*:1]
CCCC(=O)NCC(=O)N(C)[C@@H](C)c1ccc(C)cc1 CCCC(=O)N[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)C[*:1]
CCN[C@H](c1c(C)cc(C)cc1C)C(F)(F)C(F)F CCN[*:1] Cc1cc(C)c(c(C)c1)[C@H](C(F)(F)C(F)F)[*:1]
CCN[C@H](c1c(C)cc(C)cc1C)C(F)(F)C(F)F FC(F)[*:1] CCN[C@H](c1c(C)cc(C)cc1C)C(F)(F)[*:1]
CCN[C@H](c1c(C)cc(C)cc1C)C(F)(F)C(F)F FC(F)C(F)(F)[*:1] CCN[C@H](c1c(C)cc(C)cc1C)[*:1]
O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCNC1=O Fc1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])N1CCNC1=O
COc1ccc(CNC(=O)Nc2ccccc2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)CNC(=O)N[*:1]
C[C@H]1C[C@@H](N[C@@H]2CCN(C3CCCCC3)C2=O)c2ccsc2S1 C1CCC(CC1)[*:1] C[C@H]1C[C@@H](N[C@@H]2CCN(C2=O)[*:1])c2ccsc2S1
C[C@H](c1nc([C@@]2(C)CCCO2)no1)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](c1nc(no1)[C@@]1(C)CCCO1)[*:1]
C[C@H](c1nc([C@@]2(C)CCCO2)no1)[C@@H](C)O C[C@H]([C@@H](C)O)[*:1] C[C@@]1(CCCO1)c1noc(n1)[*:1]
Cc1cnc([C@H](C)NC(=O)NC[C@H](C)Nc2ccccc2)s1 c1ccc(cc1)N[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NC[C@H](C)[*:1]
Cc1cnc([C@H](C)NC(=O)NC[C@H](C)Nc2ccccc2)s1 Cc1cnc(s1)[*:1] C[C@@H](CNC(=O)N[C@@H](C)[*:1])Nc1ccccc1
Cc1cnc([C@H](C)NC(=O)NC[C@H](C)Nc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NC[C@H](C)N[*:1]
COc1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F O=[N+]([O-])[*:1] COc1ccc(cc1F)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(-c2csc(N(C)C(=O)c3cccs3)n2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)-c1csc(n1)N(C)C(=O)[*:1]
CC[C@H](C)N(C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1)C(=O)c1ccc2c(c1)OCO2 Clc1cccc(c1)[*:1] CC[C@H](C)N(C[C@@H]1CN(CCO1)C(=O)N[*:1])C(=O)c1ccc2OCOc2c1
CC[C@H](C)N(C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1)C(=O)c1ccc2c(c1)OCO2 CC[C@H](C)[*:1] O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](C1)CN(C(=O)c1ccc2OCOc2c1)[*:1]
CC[C@H](C)N(C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1)C(=O)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CC[C@H](C)N(C[C@@H]1CN(CCO1)C(=O)Nc1cccc(Cl)c1)C(=O)[*:1]
O=C(NOCc1ccccc1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NOCc1ccccc1)O[*:1]
O=C(NOCc1ccccc1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NOC[*:1])Oc1ccccc1
CC(=O)c1cccc(NC(=O)C2CCC(C[NH3+])CC2)c1 CC(=O)[*:1] [NH3+]CC1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
C[C@H]1SCCC[C@]1(CO)[NH2+]C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H]1SCCC[C@]1(CO)[NH2+]C[*:1]
C[C@H]1CCN(C(=O)Nc2cnc(C3CC3)nc2)[C@H](C)C1 C1CC1[*:1] C[C@H]1CCN(C(=O)Nc2cnc(nc2)[*:1])[C@H](C)C1
O=C(CC1CCCC1)N1CCC[C@H](CO)C1 C1CCC(C1)[*:1] O=C(C[*:1])N1CCC[C@H](CO)C1
C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C1=O Clc1cccc(c1)[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1ccc(cc1)C(=O)N[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)NCc1cc2ccccc2o1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)NCc1cc2ccccc2o1)[*:1]
CO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccccc1Br c1ccc(cc1)[*:1] CO[C@@]1(C[C@H]1C(=O)N/N=C/c1ccccc1Br)[*:1]
CO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccccc1Br Brc1ccccc1[*:1] CO[C@@]1(C[C@H]1C(=O)NN=C[*:1])c1ccccc1
Cc1cc(OCCSCc2nnc(C)n2C)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCCSCc1nnc(C)n1C
Cc1cc(OCCSCc2nnc(C)n2C)ccc1C(C)C Cc1nnc(n1C)[*:1] Cc1cc(ccc1C(C)C)OCCSC[*:1]
COC[C@@H](C)Nc1nc2cc(C)nn2c2ccccc12 COC[*:1] Cc1cc2nc(N[C@H](C)[*:1])c3ccccc3n2n1
COC[C@@H](C)Nc1nc2cc(C)nn2c2ccccc12 COC[C@@H](C)N[*:1] Cc1cc2nc(c3ccccc3n2n1)[*:1]
COC[C@@H](C)Nc1nc2cc(C)nn2c2ccccc12 COC[C@@H](C)[*:1] Cc1cc2nc(N[*:1])c3ccccc3n2n1
CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1nnc(-c3cccs3)o1)CC2 c1csc(c1)[*:1] CCc1nc2CC[C@@H](Cn2n1)[NH2+][C@H](C)c1nnc(o1)[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCO2)cn1 C1CO[C@@H](C1)[*:1] COc1ccc(cn1)CNC(=O)[*:1]
CN(CC(=O)NN=C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cccs1 c1ccc(cc1)[*:1] CN(CC(=O)NN=C(c1ccccc1)[*:1])S(=O)(=O)c1cccs1
CN(CC(=O)NN=C(c1ccccc1)c1ccccc1)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)NN=C(c1ccccc1)c1ccccc1)S(=O)(=O)[*:1]
COc1c(Br)cc(C[NH2+]Cc2ccco2)cc1Br c1coc(c1)[*:1] COc1c(Br)cc(cc1Br)C[NH2+]C[*:1]
COc1c(Br)cc(C[NH2+]Cc2ccco2)cc1Br c1coc(c1)C[*:1] COc1c(Br)cc(cc1Br)C[NH2+][*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)c2n[nH]nc2Nc2ccccc2F)CC1 Cc1ccc(Cl)cc1[*:1] O=C(c1n[nH]nc1Nc1ccccc1F)N1CCN(CC1)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)c2n[nH]nc2Nc2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1n[nH]nc1N[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)c2n[nH]nc2Nc2ccccc2F)CC1 Fc1ccccc1N[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1n[nH]nc1[*:1]
O=C(N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1)C1(O)CCCC1 OC1(CCCC1)[*:1] O=C(N1CCC[C@H](C1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
O=C(N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1)C1(O)CCCC1 Fc1ccc(cc1)[*:1] O=C(N1CCC[C@H](C1)N1CCN(CC1)[*:1])C1(O)CCCC1
CC[NH2+][C@@H](c1cccs1)[C@@H]1CN(C)CCO1 c1csc(c1)[*:1] CC[NH2+][C@@H]([C@@H]1CN(C)CCO1)[*:1]
N#Cc1ccc(N2CCC(n3cncn3)CC2)c(C(F)(F)F)c1 c1ncn(n1)[*:1] N#Cc1ccc(c(c1)C(F)(F)F)N1CCC(CC1)[*:1]
N#Cc1ccc(N2CCC(n3cncn3)CC2)c(C(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1ccc(c(c1)[*:1])N1CCC(CC1)n1cncn1
Cc1ccc(C(=O)CSc2nnc(CCC(N)=O)n2C)cc1C NC(=O)CC[*:1] Cc1ccc(cc1C)C(=O)CSc1nnc(n1C)[*:1]
Cc1ccc(C(=O)CSc2nnc(CCC(N)=O)n2C)cc1C NC(=O)[*:1] Cc1ccc(cc1C)C(=O)CSc1nnc(CC[*:1])n1C
Cc1ccc(C(=O)CSc2nnc(CCC(N)=O)n2C)cc1C NC(=O)C[*:1] Cc1ccc(cc1C)C(=O)CSc1nnc(C[*:1])n1C
CCOc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)CC)cc2c1 CCO[*:1] CCC(=O)N(Cc1cccs1)Cc1cc2cc(ccc2nc1Cl)[*:1]
CCOc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)CC)cc2c1 c1csc(c1)[*:1] CCOc1ccc2nc(Cl)c(cc2c1)CN(C[*:1])C(=O)CC
CCOc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)CC)cc2c1 c1csc(c1)C[*:1] CCOc1ccc2nc(Cl)c(cc2c1)CN(C(=O)CC)[*:1]
C[C@@H](NC(=O)/C=C/c1cccc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)/C=C/c1cccc2ccccc12)[*:1]
NC1=N[C@@H](c2ccco2)n2c(nc(=O)c3ccccc32)N1 c1coc(c1)[*:1] NC1=N[C@@H](n2c(nc(=O)c3ccccc32)N1)[*:1]
CCc1c(C)nn(C/C=C/CS)c1C SCC=C[*:1] CCc1c(C)nn(C[*:1])c1C
CCCN[C@@]1(C#N)CCC[C@H](n2nc(C)c(C)c2C)C1 CCC[*:1] Cc1nn(c(C)c1C)[C@H]1CCC[C@@](C#N)(C1)N[*:1]
CCCN[C@@]1(C#N)CCC[C@H](n2nc(C)c(C)c2C)C1 CCCN[*:1] Cc1nn(c(C)c1C)[C@H]1CCC[C@](C#N)(C1)[*:1]
NC(=O)C1(NC(=O)c2ccc3sccc3c2)CCCC1 NC(=O)[*:1] O=C(NC1(CCCC1)[*:1])c1ccc2sccc2c1
COc1cc(C(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc(OC)c1OC Brc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(o1)[*:1]
Cc1ccc(CN2CCN(C3CCN(C(=O)NC4CCCCC4)CC3)C(=O)C2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(NC1CCCCC1)N1CCC(CC1)N1CCN(C(=O)C1=O)[*:1]
Cc1ccc(CN2CCN(C3CCN(C(=O)NC4CCCCC4)CC3)C(=O)C2=O)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)CN1CCN(C(=O)C1=O)C1CCN(CC1)C(=O)N[*:1]
Cc1ccc(CN2CCN(C3CCN(C(=O)NC4CCCCC4)CC3)C(=O)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCCCC1)N1CCC(CC1)N1CCN(C[*:1])C(=O)C1=O
COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3cccc(OC)c3)C2)n1 COc1cccc(c1)[*:1] COCc1cc(=O)[nH]c(n1)[C@@H]1CCCN(C1)C[*:1]
COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3cccc(OC)c3)C2)n1 COC[*:1] COc1cccc(c1)CN1CCC[C@H](C1)c1nc(cc(=O)[nH]1)[*:1]
COCC(=O)N[C@H](C(=O)N1CCN(c2ncccc2F)CC1)C(C)C COCC(=O)N[*:1] CC(C)[C@@H](C(=O)N1CCN(CC1)c1ncccc1F)[*:1]
COCC(=O)N[C@H](C(=O)N1CCN(c2ncccc2F)CC1)C(C)C COC[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCN(CC1)c1ncccc1F
COCC(=O)N[C@H](C(=O)N1CCN(c2ncccc2F)CC1)C(C)C Fc1cccnc1[*:1] COCC(=O)N[C@H](C(=O)N1CCN(CC1)[*:1])C(C)C
COCC(=O)N[C@H](C(=O)N1CCN(c2ncccc2F)CC1)C(C)C CC(C)[*:1] COCC(=O)N[C@H](C(=O)N1CCN(CC1)c1ncccc1F)[*:1]
C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)C1 C1CC(CCO1)[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N[C@](C)(C(=O)[O-])C2CC2)C1 C1CC1[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)N[C@](C)(C(=O)[O-])[*:1]
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N[C@](C)(C(=O)[O-])C2CC2)C1 O=C([O-])[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)N[C@](C)(C1CC1)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1 CC[S@@](=O)[*:1] c1cc(cs1)C[NH2+][C@H]1CCCC[C@@H]1[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1 c1cc(cs1)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]C[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)Nc2cc(C)ccc2C)cc1 CC(=O)[*:1] Cc1ccc(C)c(c1)N[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1[C@H]1CCCN1C(=O)NCCCOC[C@@H]1CCOC1 C1C[C@H](CO1)CO[*:1] Cc1ccccc1[C@H]1CCCN1C(=O)NCCC[*:1]
Cc1ccccc1[C@H]1CCCN1C(=O)NCCCOC[C@@H]1CCOC1 C1C[C@H](CO1)COC[*:1] Cc1ccccc1[C@H]1CCCN1C(=O)NCC[*:1]
Cc1ccccc1[C@H]1CCCN1C(=O)NCCCOC[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] Cc1ccccc1[C@H]1CCCN1C(=O)NCCCOC[*:1]
Cc1ccccc1[C@H]1CCCN1C(=O)NCCCOC[C@@H]1CCOC1 Cc1ccccc1[*:1] O=C(NCCCOC[C@@H]1CCOC1)N1CCC[C@@H]1[*:1]
Cc1ccccc1[C@H]1CCCN1C(=O)NCCCOC[C@@H]1CCOC1 C1C[C@H](CO1)C[*:1] Cc1ccccc1[C@H]1CCCN1C(=O)NCCCO[*:1]
Cc1cc(NC(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)n(C)n1 Brc1cccc(c1)O[*:1] Cc1cc(NC(=O)NNC(=O)[C@@H](C)[*:1])n(C)n1
Cc1cc(NC(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)n(C)n1 Cc1cc(n(C)n1)[*:1] C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N[*:1]
Cc1cc(NC(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)n(C)n1 Brc1cccc(c1)[*:1] Cc1cc(NC(=O)NNC(=O)[C@@H](C)O[*:1])n(C)n1
CC(C)[C@]1(C)CC(=O)N(Cc2nsc(N(C)C)n2)C1=O CC(C)[*:1] CN(C)c1nc(CN2C(=O)C[C@@](C)(C2=O)[*:1])ns1
CC(C)[C@]1(C)CC(=O)N(Cc2nsc(N(C)C)n2)C1=O CN(C)[*:1] CC(C)[C@]1(C)CC(=O)N(Cc2nsc(n2)[*:1])C1=O
C[C@H](Cc1ccccc1)Nc1nc2ncnc-2c(N)n1C c1ccc(cc1)C[*:1] C[C@H](Nc1nc2ncnc-2c(N)n1C)[*:1]
C[C@H](Cc1ccccc1)Nc1nc2ncnc-2c(N)n1C c1ccc(cc1)[*:1] C[C@H](C[*:1])Nc1nc2ncnc-2c(N)n1C
CCc1cccc(NC(=O)CSc2nc(-c3cccnc3)n[nH]2)c1 c1cncc(c1)[*:1] CCc1cccc(c1)NC(=O)CSc1nc(n[nH]1)[*:1]
CCc1cccc(NC(=O)CSc2nc(-c3cccnc3)n[nH]2)c1 CCc1cccc(c1)[*:1] O=C(CSc1nc(n[nH]1)-c1cccnc1)N[*:1]
C[C@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)[*:1]
C[C@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C(=O)[O-] Clc1cccnc1[*:1] C[C@H](NC(=O)c1cc(Br)nn1[*:1])C(=O)[O-]
NC(=O)[C@H](Nc1cccc(Oc2ccccn2)c1)c1ccccc1 c1ccc(nc1)[*:1] NC(=O)[C@H](Nc1cccc(c1)O[*:1])c1ccccc1
NC(=O)[C@H](Nc1cccc(Oc2ccccn2)c1)c1ccccc1 NC(=O)[*:1] c1ccc(cc1)[C@@H](Nc1cccc(c1)Oc1ccccn1)[*:1]
NC(=O)[C@H](Nc1cccc(Oc2ccccn2)c1)c1ccccc1 c1ccc(nc1)O[*:1] NC(=O)[C@H](Nc1cccc(c1)[*:1])c1ccccc1
NC(=O)[C@H](Nc1cccc(Oc2ccccn2)c1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](Nc1cccc(c1)Oc1ccccn1)[*:1]
COc1ccccc1N1CCN(c2nc(Br)cs2)CC1 Brc1csc(n1)[*:1] COc1ccccc1N1CCN(CC1)[*:1]
CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 CCO[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1[*:1])[C@H]1CCCO1
CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)[*:1]
O=[S@](CCn1cccn1)Cc1nn(-c2ccccc2)c2c1CCC2 c1ccc(cc1)[*:1] O=[S@](CCn1cccn1)Cc1nn(c2CCCc12)[*:1]
O=[S@](CCn1cccn1)Cc1nn(-c2ccccc2)c2c1CCC2 c1cnn(c1)C[*:1] O=[S@@](Cc1nn(-c2ccccc2)c2CCCc12)C[*:1]
O=[S@](CCn1cccn1)Cc1nn(-c2ccccc2)c2c1CCC2 c1cnn(c1)CC[*:1] O=[S@](Cc1nn(-c2ccccc2)c2CCCc12)[*:1]
O=[S@](CCn1cccn1)Cc1nn(-c2ccccc2)c2c1CCC2 c1cnn(c1)[*:1] O=[S@](CC[*:1])Cc1nn(-c2ccccc2)c2CCCc12
CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](N(C)CCS(C)(=O)=O)C1 CC(C)[*:1] CN(CCS(C)(=O)=O)[C@@H]1C[C@H](CC[C@H]1[NH3+])[*:1]
CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](N(C)CCS(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC(C)[C@H]1CC[C@@H]([NH3+])[C@@H](C1)N(C)CC[*:1]
CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](N(C)CCS(C)(=O)=O)C1 CS(=O)(=O)CC[*:1] CC(C)[C@H]1CC[C@@H]([NH3+])[C@@H](C1)N(C)[*:1]
CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](N(C)CCS(C)(=O)=O)C1 CS(=O)(=O)C[*:1] CC(C)[C@H]1CC[C@@H]([NH3+])[C@@H](C1)N(C)C[*:1]
C[C@@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1ccc2ccccc2c1 O=[N+]([O-])[*:1] C[C@@H](Nc1nc2ccccn2c(=O)c1[*:1])c1ccc2ccccc2c1
CC(C)CCOc1ccc(S(=O)(=O)/N=c2\[nH]c(C(C)C)nn2C)cc1 CC(C)[*:1] CC(C)c1nn(C)/c(=N/S(=O)(=O)c2ccc(cc2)OCC[*:1])[nH]1
CC(C)CCOc1ccc(S(=O)(=O)/N=c2\[nH]c(C(C)C)nn2C)cc1 CC(C)[*:1] CC(C)CCOc1ccc(cc1)S(=O)(=O)/N=c1\[nH]c(nn1C)[*:1]
CC(C)CCOc1ccc(S(=O)(=O)/N=c2\[nH]c(C(C)C)nn2C)cc1 CC(C)CCO[*:1] CC(C)c1nn(C)/c(=N/S(=O)(=O)c2ccc(cc2)[*:1])[nH]1
CC(C)CCOc1ccc(S(=O)(=O)/N=c2\[nH]c(C(C)C)nn2C)cc1 CC(C)CC[*:1] CC(C)c1nn(C)/c(=N/S(=O)(=O)c2ccc(cc2)O[*:1])[nH]1
CC(C)CCOc1ccc(S(=O)(=O)/N=c2\[nH]c(C(C)C)nn2C)cc1 CC(C)C[*:1] CC(C)c1nn(C)/c(=N/S(=O)(=O)c2ccc(cc2)OC[*:1])[nH]1
COc1ccc(Cl)cc1Cn1c(CS(C)(=O)=O)nc2ccccc21 CS(=O)(=O)C[*:1] COc1ccc(Cl)cc1Cn1c(nc2ccccc21)[*:1]
COc1ccc(Cl)cc1Cn1c(CS(C)(=O)=O)nc2ccccc21 CS(=O)(=O)[*:1] COc1ccc(Cl)cc1Cn1c(C[*:1])nc2ccccc21
COc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])c1cccc(c1)[*:1] COc1cccc(c1)N1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
COc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(c1)[*:1]
COc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)c1 COc1cccc(c1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(c2)[N+](=O)[O-])N1[*:1]
Cc1ccc(C)c([C@H](C)NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)NCc2cccc(Cn3cccn3)c2)C1 c1cnn(c1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCc1cccc(c1)C[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)NCc2cccc(Cn3cccn3)c2)C1 c1cnn(c1)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCc1cccc(c1)[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2[nH+]ccn2CC(C)C)C1 CC(C)C[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)NCc1[nH+]ccn1[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2[nH+]ccn2CC(C)C)C1 CC[S@](=O)[*:1] CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2[nH+]ccn2CC(C)C)C1 CC(C)[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)NCc1[nH+]ccn1C[*:1]
COc1cccc(-c2nc3ccccc3c3nnc(SCC(=O)Nc4ccc(C(C)=O)cc4)n23)c1 COc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nnc2c3ccccc3nc(n12)[*:1]
COc1cccc(-c2nc3ccccc3c3nnc(SCC(=O)Nc4ccc(C(C)=O)cc4)n23)c1 CC(=O)[*:1] COc1cccc(c1)-c1nc2ccccc2c2nnc(SCC(=O)Nc3ccc(cc3)[*:1])n12
COc1cccc(-c2nc3ccccc3c3nnc(SCC(=O)Nc4ccc(C(C)=O)cc4)n23)c1 CC(=O)c1ccc(cc1)[*:1] COc1cccc(c1)-c1nc2ccccc2c2nnc(SCC(=O)N[*:1])n12
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 c1csc(c1)[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nc(n(n1)-c1ccc(F)cc1)[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nc(-c2cccs2)n(n1)[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 N#CC[*:1] C[C@@H](Sc1ccccc1NC(=O)c1nc(-c2cccs2)n(n1)-c1ccc(F)cc1)[*:1]
CCCCOc1ccc(/C=C2/SC(=S)N=C2[O-])cc1 CCCCO[*:1] [O-]C1=NC(=S)S/C1=C/c1ccc(cc1)[*:1]
CCCCOc1ccc(/C=C2/SC(=S)N=C2[O-])cc1 CCC[*:1] [O-]C1=NC(=S)S/C1=C/c1ccc(cc1)OC[*:1]
CCCCOc1ccc(/C=C2/SC(=S)N=C2[O-])cc1 CCCC[*:1] [O-]C1=NC(=S)S/C1=C/c1ccc(cc1)O[*:1]
CCS(=O)(=O)C[C@@H](C)N(C)Cc1cccs1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)Cc1cccs1
CCS(=O)(=O)C[C@@H](C)N(C)Cc1cccs1 c1csc(c1)[*:1] CCS(=O)(=O)C[C@@H](C)N(C)C[*:1]
COc1ccc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1cccc[nH+]1
Cc1ccc(N(Cc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1C C[C@H](c1ccccc1)[*:1] Cc1ccc(cc1C)N(Cc1ccc(cc1)C(=O)N[*:1])S(C)(=O)=O
Cc1ccc(N(Cc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)c1ccc(cc1)CN(S(C)(=O)=O)[*:1])c1ccccc1
Cc1ccc(N(Cc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N(Cc1ccc(cc1)C(=O)N[C@H](C)[*:1])S(C)(=O)=O
CC[C@H](C)C[C@H](C)NC(=O)CCN1C(=O)COc2ccccc21 CC[C@H](C)C[*:1] C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)CCN1C(=O)COc2ccccc21 CC[C@H](C)[*:1] C[C@@H](C[*:1])NC(=O)CCN1C(=O)COc2ccccc21
CCC(CC)n1nc(C)c([C@@H](C)C[NH2+]C2CC2)c1C CCC(CC)[*:1] Cc1nn(c(C)c1[C@@H](C)C[NH2+]C1CC1)[*:1]
CCC(CC)n1nc(C)c([C@@H](C)C[NH2+]C2CC2)c1C C1CC1[*:1] CCC(CC)n1nc(C)c(c1C)[C@@H](C)C[NH2+][*:1]
CC(C)[C@@H](NC(=O)C[C@@H](C)C1CCCCC1)C(=O)N1CCOCC1 CC(C)[*:1] C[C@H](CC(=O)N[C@@H](C(=O)N1CCOCC1)[*:1])C1CCCCC1
CC(C)[C@@H](NC(=O)C[C@@H](C)C1CCCCC1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@@H](NC(=O)C[C@@H](C)C1CCCCC1)[*:1]
CC(C)[C@@H](NC(=O)C[C@@H](C)C1CCCCC1)C(=O)N1CCOCC1 C[C@@H](C1CCCCC1)[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)N1CCOCC1
CC(C)[C@@H](NC(=O)C[C@@H](C)C1CCCCC1)C(=O)N1CCOCC1 C1CCC(CC1)[*:1] CC(C)[C@@H](NC(=O)C[C@@H](C)[*:1])C(=O)N1CCOCC1
O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl O=[N+]([O-])[*:1] O=C(Nc1cccc2ccccc12)c1cc(cc(c1Cl)[*:1])[N+](=O)[O-]
O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl O=[N+]([O-])[*:1] O=C(Nc1cccc2ccccc12)c1cc(cc(c1Cl)[N+](=O)[O-])[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)NCc2nc3ccccc3s2)c1 c1cn(cn1)[*:1] Cc1ccc(c(c1)C(=O)NCc1nc2ccccc2s1)[*:1]
Cc1cnc(-c2cccc(NC(=O)c3cc(F)ccc3F)c2)o1 Cc1cnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(F)ccc1F
Cc1ccc(CNC(=O)NC[C@H](C)Nc2ccccc2)c(N(C)C)c1 c1ccc(cc1)[*:1] Cc1ccc(CNC(=O)NC[C@H](C)N[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)NC[C@H](C)Nc2ccccc2)c(N(C)C)c1 c1ccc(cc1)N[*:1] Cc1ccc(CNC(=O)NC[C@H](C)[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)NC[C@H](C)Nc2ccccc2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)NC[C@H](C)Nc2ccccc2)c(c1)[*:1]
CCn1nccc1CN(C)C(=O)c1ccccn1 c1ccc(nc1)[*:1] CCn1nccc1CN(C)C(=O)[*:1]
CCCNC(=O)NC(=O)C[NH+](CC1CC[NH2+]CC1)C(C)C CCC[*:1] CC(C)[NH+](CC(=O)NC(=O)N[*:1])CC1CC[NH2+]CC1
CCCNC(=O)NC(=O)C[NH+](CC1CC[NH2+]CC1)C(C)C CC(C)[*:1] CCCNC(=O)NC(=O)C[NH+](CC1CC[NH2+]CC1)[*:1]
COc1cc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc(OC)c1OC Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1ccc2nn(nc2c1)[*:1]
COc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]2C[C@@H]2C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)N[C@@H]1C[C@@H]1C)[*:1]
COc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]2C[C@@H]2C)C(C)C)cc1 C[C@H]1C[C@H]1NC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)[*:1]
CC(C)(CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)NC(=O)O[*:1]
CC(C)(CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)NC(=O)OC(C)(C)C Fc1ccc(cc1)[*:1] CC(C)(CNC(=O)[C@H]1C[C@H]1[*:1])NC(=O)OC(C)(C)C
CC(C)(CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] CC(C)(CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)[*:1]
COc1ccc(-c2nc(CC(=O)N(c3ccccc3)c3nc(C)cs3)cs2)cc1OC COc1ccc(cc1OC)[*:1] Cc1csc(n1)N(C(=O)Cc1csc(n1)[*:1])c1ccccc1
COc1ccc(-c2nc(CC(=O)N(c3ccccc3)c3nc(C)cs3)cs2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nc(cs1)CC(=O)N(c1nc(C)cs1)[*:1]
COc1ccc(-c2nc(CC(=O)N(c3ccccc3)c3nc(C)cs3)cs2)cc1OC Cc1csc(n1)[*:1] COc1ccc(cc1OC)-c1nc(cs1)CC(=O)N(c1ccccc1)[*:1]
COc1ccc(C(=O)Nc2ccc3c(c2)nc(CNC(=O)[C@@H]2CCCO2)n3C)cc1OC COc1ccc(cc1OC)[*:1] Cn1c(CNC(=O)[C@@H]2CCCO2)nc2cc(ccc21)NC(=O)[*:1]
O=C(Nc1cc(F)ccc1Oc1ccccc1)N1CCCC[C@H]1CO c1ccc(cc1)[*:1] O=C(Nc1cc(F)ccc1O[*:1])N1CCCC[C@H]1CO
O=C(Nc1cc(F)ccc1Oc1ccccc1)N1CCCC[C@H]1CO c1ccc(cc1)O[*:1] O=C(Nc1cc(F)ccc1[*:1])N1CCCC[C@H]1CO
COc1ccc(N2C[C@@H](C(=O)Nc3nnc(C[C@H](C)c4ccccc4)s3)CC2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(C[C@H](C)[*:1])s1
COc1ccc(N2C[C@@H](C(=O)Nc3nnc(C[C@H](C)c4ccccc4)s3)CC2=O)cc1 COc1ccc(cc1)[*:1] C[C@@H](Cc1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1)c1ccccc1
COc1ccc(N2C[C@@H](C(=O)Nc3nnc(C[C@H](C)c4ccccc4)s3)CC2=O)cc1 C[C@@H](C[*:1])c1ccccc1 COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3nnc(C[C@H](C)c4ccccc4)s3)CC2=O)cc1 C[C@H](c1ccccc1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(C[*:1])s1
COCCN1CCN([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1=O COCC[*:1] Cc1ccc(cc1)NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)C1)[*:1]
COCCN1CCN([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1=O Cc1ccc(cc1)[*:1] COCCN1CCN(CC1=O)[C@@H](C(=O)N[*:1])c1ccccc1
COCCN1CCN([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1=O c1ccc(cc1)[*:1] COCCN1CCN(CC1=O)[C@@H](C(=O)Nc1ccc(C)cc1)[*:1]
COCCN1CCN([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1=O COC[*:1] Cc1ccc(cc1)NC(=O)[C@@H](c1ccccc1)N1CCN(C[*:1])C(=O)C1
Cn1cnnc1C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 Cn1cnnc1[*:1] Fc1cc(cc(c1)C(F)(F)F)C[NH+]1CCC(CC1)[*:1]
Cn1cnnc1C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] Cn1cnnc1C1CC[NH+](CC1)Cc1cc(F)cc(c1)[*:1]
Cc1cc(C(=O)N[C@H](C)c2cccc(Br)c2)c2c([O-])nn(C)c2n1 Brc1cccc(c1)[*:1] Cc1cc(C(=O)N[C@H](C)[*:1])c2c([O-])nn(C)c2n1
Fc1ccc([C@@H](C[NH2+]C2CC2)Cc2ccco2)cc1 c1coc(c1)C[*:1] Fc1ccc(cc1)[C@@H](C[NH2+]C1CC1)[*:1]
Fc1ccc([C@@H](C[NH2+]C2CC2)Cc2ccco2)cc1 c1coc(c1)[*:1] Fc1ccc(cc1)[C@@H](C[NH2+]C1CC1)C[*:1]
Fc1ccc([C@@H](C[NH2+]C2CC2)Cc2ccco2)cc1 C1CC1[*:1] Fc1ccc(cc1)[C@@H](C[NH2+][*:1])Cc1ccco1
CCc1nnsc1C(=O)OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 c1coc(c1)[*:1] CCc1nnsc1C(=O)OCC(=O)N1N=C2C(=C[*:1])CCC[C@@H]2[C@@H]1c1ccco1
CCc1nnsc1C(=O)OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 CCc1nnsc1C(=O)O[*:1] O=C(C[*:1])N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1
CCc1nnsc1C(=O)OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 CCc1nnsc1[*:1] O=C(COC(=O)[*:1])N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1
CCc1nnsc1C(=O)OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 CCc1nnsc1C(=O)OC[*:1] O=C(N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1)[*:1]
CCc1nnsc1C(=O)OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 c1coc(c1)[*:1] CCc1nnsc1C(=O)OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1[C@H]1COc2ccccc2O1 C=CC[*:1] C[C@@H](Sc1nnc([C@H]2COc3ccccc3O2)n1[*:1])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
C=CCn1c(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1[C@H]1COc2ccccc2O1 O=c1[nH]c2ccc(cc2[nH]1)[*:1] C=CCn1c(nnc1[C@H]1COc2ccccc2O1)S[C@H](C)C(=O)N[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1[C@H]1COc2ccccc2O1 c1ccc2O[C@H](COc2c1)[*:1] C=CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
O=C(CCc1ccccc1)NC1CCN(C(=O)CSC2CCCC2)CC1 c1ccc(cc1)C[*:1] O=C(C[*:1])NC1CCN(CC1)C(=O)CSC1CCCC1
O=C(CCc1ccccc1)NC1CCN(C(=O)CSC2CCCC2)CC1 C1CCC(C1)SC[*:1] O=C(CCc1ccccc1)NC1CCN(CC1)C(=O)[*:1]
O=C(CCc1ccccc1)NC1CCN(C(=O)CSC2CCCC2)CC1 C1CCC(C1)[*:1] O=C(CCc1ccccc1)NC1CCN(CC1)C(=O)CS[*:1]
O=C(CCc1ccccc1)NC1CCN(C(=O)CSC2CCCC2)CC1 C1CCC(C1)S[*:1] O=C(CCc1ccccc1)NC1CCN(CC1)C(=O)C[*:1]
O=C(CCc1ccccc1)NC1CCN(C(=O)CSC2CCCC2)CC1 c1ccc(cc1)CC[*:1] O=C(CSC1CCCC1)N1CCC(CC1)NC(=O)[*:1]
O=C(CCc1ccccc1)NC1CCN(C(=O)CSC2CCCC2)CC1 c1ccc(cc1)[*:1] O=C(CC[*:1])NC1CCN(CC1)C(=O)CSC1CCCC1
O=C(NCCOc1ccccc1)c1cn(C[C@@H]2CCCO2)nn1 c1ccc(cc1)[*:1] O=C(NCCO[*:1])c1cn(C[C@@H]2CCCO2)nn1
O=C(NCCOc1ccccc1)c1cn(C[C@@H]2CCCO2)nn1 c1ccc(cc1)O[*:1] O=C(NCC[*:1])c1cn(C[C@@H]2CCCO2)nn1
O=C(NCCOc1ccccc1)c1cn(C[C@@H]2CCCO2)nn1 C1CO[C@@H](C1)C[*:1] O=C(NCCOc1ccccc1)c1cn(nn1)[*:1]
COC(=O)c1cncc(C(=O)NNc2cc(C)ccn2)c1 COC(=O)[*:1] Cc1ccnc(c1)NNC(=O)c1cncc(c1)[*:1]
COC(=O)c1cncc(C(=O)NNc2cc(C)ccn2)c1 Cc1ccnc(c1)[*:1] COC(=O)c1cncc(c1)C(=O)NN[*:1]
COc1ccc(NC(=O)Cc2nc(Cc3ccccc3)n[nH]2)cc1Cl c1ccc(cc1)C[*:1] COc1ccc(cc1Cl)NC(=O)Cc1nc(n[nH]1)[*:1]
COc1ccc(NC(=O)Cc2nc(Cc3ccccc3)n[nH]2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)Cc1nc(C[*:1])n[nH]1
CCC(CC)N(C)C(=O)CNC1=NS(=O)(=O)c2ccccc21 CCC(CC)[*:1] CN(C(=O)CNC1=NS(=O)(=O)c2ccccc21)[*:1]
COC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)C(=O)NC[C@@H](N1CCOCC1)[*:1]
COC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 COC(=O)[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COC(=O)c1ccc(cc1)C(=O)NC[C@@H](c1ccc(F)cc1)[*:1]
COc1cccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1F c1ccc(cc1)C[*:1] COc1cccc(C(=O)N[C@H]2CCCN(C2=O)[*:1])c1F
COc1cccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1F c1ccc(cc1)[*:1] COc1cccc(C(=O)N[C@H]2CCCN(C[*:1])C2=O)c1F
COc1ccc(OCC(F)(F)F)c(C(=O)Nc2cccnc2)c1 FC(F)(F)C[*:1] COc1ccc(O[*:1])c(c1)C(=O)Nc1cccnc1
COc1ccc(OCC(F)(F)F)c(C(=O)Nc2cccnc2)c1 FC(F)(F)CO[*:1] COc1ccc(c(c1)C(=O)Nc1cccnc1)[*:1]
COc1ccc(OCC(F)(F)F)c(C(=O)Nc2cccnc2)c1 FC(F)(F)[*:1] COc1ccc(OC[*:1])c(c1)C(=O)Nc1cccnc1
COc1ccc(OCC(F)(F)F)c(C(=O)Nc2cccnc2)c1 c1cncc(c1)[*:1] COc1ccc(OCC(F)(F)F)c(c1)C(=O)N[*:1]
COc1cc(OC)c(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1F O=C(N[*:1])C1CC1 COc1cc(OC)c(cc1F)NC(=O)c1cccc(c1)[*:1]
COc1cc(OC)c(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1F C1CC1[*:1] COc1cc(OC)c(cc1F)NC(=O)c1cccc(c1)NC(=O)[*:1]
COC(=O)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCCC2)cc1 COC(=O)[*:1] O=C(NC(=S)Nc1ccccc1C(=O)N1CCCC1)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] COC(=O)c1ccc(cc1)C(=O)NC(=S)Nc1ccccc1[*:1]
O=C(Cc1cc(F)ccc1F)N1CC[C@@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Cc1cc(F)ccc1F)N1CC[C@H](C1)C[*:1]
O=C(Cc1cc(F)ccc1F)N1CC[C@@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Cc1cc(F)ccc1F)N1CC[C@@H](C1)[*:1]
CC(C)[C@@H](C)[NH2+]CC[C@@H](C)[S@](C)=O CC(C)[*:1] C[C@H](CC[NH2+][C@H](C)[*:1])[S@](C)=O
CC(C)[C@@H](C)[NH2+]CC[C@@H](C)[S@](C)=O C[S@](=O)[*:1] CC(C)[C@@H](C)[NH2+]CC[C@@H](C)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCOc3ccccc32)C1 CCNS(=O)(=O)[*:1] O=C([C@@H]1CCOc2ccccc21)N1CC[C@H](C1)[*:1]
CCOc1ccc([C@H]2NC(=O)c3oc4ccc(F)cc4c(=O)c32)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H]1NC(=O)c2oc3ccc(F)cc3c(=O)c21
COc1ccc(OC)c(C2=NO[C@]3(CC(=O)N(c4c(C)cccc4C)C3=O)C2)c1 Cc1cccc(C)c1[*:1] COc1ccc(OC)c(c1)C1C[C@@]2(CC(=O)N(C2=O)[*:1])ON=1
Cc1cc(F)cc2c(NC[C@@H](c3cnn(C)c3)[NH+](C)C)c(C#N)cnc12 Cn1cc(cn1)[*:1] Cc1cc(F)cc2c(NC[C@@H]([NH+](C)C)[*:1])c(C#N)cnc12
CC(C)N1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(Cl)c(Cl)c1 CC(C)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1[*:1]
CC(C)N1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CC(C)N1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1[*:1]
CC(C)N1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] CC(C)N1C(=O)c2[nH]nc(c2[C@H]1c1ccc(Cl)c(Cl)c1)[*:1]
CC(=O)c1cccc(NC(=O)COc2c(C)cc(C=O)cc2C)c1 CC(=O)[*:1] Cc1cc(C=O)cc(C)c1OCC(=O)Nc1cccc(c1)[*:1]
Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)C(C)C)cc1)C[C@H](C)O2 CC(C)[*:1] Cc1ccc2O[C@@H](C)CN(C(=O)c3ccc(cc3)NC(=O)[*:1])c2c1
Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)C(C)C)cc1)C[C@H](C)O2 CC(C)C(=O)N[*:1] Cc1ccc2O[C@@H](C)CN(C(=O)c3ccc(cc3)[*:1])c2c1
CNC(=O)C[NH+](C)Cc1cccc(Cl)n1 CNC(=O)[*:1] C[NH+](Cc1cccc(Cl)n1)C[*:1]
CNC(=O)C[NH+](C)Cc1cccc(Cl)n1 CNC(=O)C[*:1] C[NH+](Cc1cccc(Cl)n1)[*:1]
CCSc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCSc1ccc(cc1[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1C
CCSc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] CCS[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
COc1ccc(CC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)cc1OC c1cc(ccn1)[*:1] COc1ccc(cc1OC)CC(=O)N1CCCC[C@H]1c1nn(C)cc1[*:1]
COc1ccc(CC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)cc1OC COc1ccc(cc1OC)[*:1] Cn1cc(-c2ccncc2)c(n1)[C@@H]1CCCCN1C(=O)C[*:1]
CCC(CC)n1ncc(C[NH2+]C)c1C(C)C CCC(CC)[*:1] C[NH2+]Cc1cnn(c1C(C)C)[*:1]
CCC(CC)n1ncc(C[NH2+]C)c1C(C)C CC(C)[*:1] CCC(CC)n1ncc(C[NH2+]C)c1[*:1]
COc1ccc(CNC(=O)CCc2cc(Cl)cs2)cc1 Clc1csc(c1)[*:1] COc1ccc(cc1)CNC(=O)CC[*:1]
COc1cccc(-c2cc(C(=O)N[C@@H](C)c3cccc(OC)c3)c3c(C)nn(C)c3n2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)-c1cc(C(=O)N[C@@H](C)[*:1])c2c(C)nn(C)c2n1
COc1cccc(-c2cc(C(=O)N[C@@H](C)c3cccc(OC)c3)c3c(C)nn(C)c3n2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)[C@H](C)NC(=O)c1cc(nc2c1c(C)nn2C)[*:1]
CC(C)OCCC(=O)NC[C@H]1C[C@]12CCc1ccccc12 CC(C)OC[*:1] O=C(C[*:1])NC[C@H]1C[C@]12CCc1ccccc12
CC(C)OCCC(=O)NC[C@H]1C[C@]12CCc1ccccc12 CC(C)OCC[*:1] O=C(NC[C@H]1C[C@]12CCc1ccccc12)[*:1]
CC(C)OCCC(=O)NC[C@H]1C[C@]12CCc1ccccc12 CC(C)[*:1] O=C(CCO[*:1])NC[C@H]1C[C@]12CCc1ccccc12
CC(C)OCCC(=O)NC[C@H]1C[C@]12CCc1ccccc12 CC(C)O[*:1] O=C(CC[*:1])NC[C@H]1C[C@]12CCc1ccccc12
CCOc1cncc(N(CC(=O)[O-])C(C)(C)C)n1 O=C([O-])C[*:1] CCOc1cncc(n1)N(C(C)(C)C)[*:1]
CCOc1cncc(N(CC(=O)[O-])C(C)(C)C)n1 CC(C)(C)[*:1] CCOc1cncc(n1)N(CC(=O)[O-])[*:1]
CCOc1cncc(N(CC(=O)[O-])C(C)(C)C)n1 CCO[*:1] CC(C)(C)N(CC(=O)[O-])c1cncc(n1)[*:1]
CCOc1cncc(N(CC(=O)[O-])C(C)(C)C)n1 O=C([O-])[*:1] CCOc1cncc(n1)N(C[*:1])C(C)(C)C
Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@@H](C)c1ccc2c(c1)OCCO2 CC(C)C[*:1] Cc1nn(c(C)c1CC(=O)O[C@@H](C)c1ccc2OCCOc2c1)[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@@H](C)c1ccc2c(c1)OCCO2 CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CC(=O)O[C@@H](C)c1ccc2OCCOc2c1
Cc1c(C(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] FC(F)(F)C[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N[*:1]
Cc1c(C(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NCC(F)(F)F
Cc1c(C(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NC[*:1]
CCCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O C[C@@H](O)[*:1] CCCCN1C(=O)[C@@H]2[C@@H](N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O)[*:1]
CCCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O CCC[*:1] C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
CCCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O CCCC[*:1] C[C@@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)Nc2cc(OC)c(OC)cc2C)c1C COC(=O)[*:1] COc1cc(C)c(cc1OC)NC(=O)c1[nH]c(C)c(c1C)[*:1]
Cc1nc(C[C@H](C[NH2+]C2CC2)c2ccc(Br)cc2)cs1 Cc1nc(cs1)[*:1] Brc1ccc(cc1)[C@@H](C[NH2+]C1CC1)C[*:1]
Cc1nc(C[C@H](C[NH2+]C2CC2)c2ccc(Br)cc2)cs1 C1CC1[*:1] Cc1nc(cs1)C[C@H](C[NH2+][*:1])c1ccc(Br)cc1
COC(=O)[C@H](NC(=O)c1cc(C)on1)c1ccc(F)c(F)c1 Cc1cc(no1)[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC(=O)[C@H](NC(=O)c1cc(C)on1)c1ccc(F)c(F)c1 COC(=O)[*:1] Cc1cc(no1)C(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
Cc1nc([C@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)c2cccnc2n1 O=C1CCCN1[*:1] Cc1nc(c2cccnc2n1)[C@H]1CCCN(C1)C(=O)CCC[*:1]
Cc1nc([C@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)c2cccnc2n1 O=C1CCCN1CC[*:1] Cc1nc(c2cccnc2n1)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1nc([C@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)c2cccnc2n1 O=C1CCCN1C[*:1] Cc1nc(c2cccnc2n1)[C@H]1CCCN(C1)C(=O)CC[*:1]
Cc1nc([C@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)c2cccnc2n1 O=C1CCCN1CCC[*:1] Cc1nc(c2cccnc2n1)[C@H]1CCCN(C1)C(=O)[*:1]
CCn1nc(C)c(C(=O)/C=C/c2cnc(N3CCCC3)nc2)c1C C1CCN(C1)[*:1] CCn1nc(C)c(C(=O)/C=C/c2cnc(nc2)[*:1])c1C
Cc1cc([C@H](C)NC(=O)Cc2noc3ccccc23)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](NC(=O)Cc1noc2ccccc12)[*:1]
CCc1cccc(NC(=O)CSc2nnc(Cc3c(C)nc4ccc(C)cn4c3=O)n2C)c1 CCc1cccc(c1)NC(=O)[*:1] Cc1ccc2nc(C)c(Cc3nnc(SC[*:1])n3C)c(=O)n2c1
CCc1cccc(NC(=O)CSc2nnc(Cc3c(C)nc4ccc(C)cn4c3=O)n2C)c1 CCc1cccc(c1)[*:1] Cc1ccc2nc(C)c(Cc3nnc(SCC(=O)N[*:1])n3C)c(=O)n2c1
CCN(CCO)C(=O)Nc1cccc(N(C)C(C)=O)c1 OCC[*:1] CCN(C(=O)Nc1cccc(c1)N(C)C(C)=O)[*:1]
CCN(CCO)C(=O)Nc1cccc(N(C)C(C)=O)c1 CC(=O)N(C)[*:1] CCN(CCO)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1nc(C(F)(F)F)cs1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)c1ccc(o1)[*:1])c1nc(cs1)C(F)(F)F
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@H](NC(=O)c1ccc(o1)[N+](=O)[O-])c1nc(cs1)[*:1]
O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(cc1)[*:1]
FC(F)(F)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)nc1 Clc1ccc(cc1)[*:1] FC(F)(F)c1ccc(nc1)-c1nc(cs1)[*:1]
FC(F)(F)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)nc1 FC(F)(F)[*:1] Clc1ccc(cc1)-c1csc(n1)-c1ccc(cn1)[*:1]
CCCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)cc1 CCC[*:1] C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(cc1)[*:1]
CCCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)cc1 C1CC(CCO1)[*:1] CCCc1ccc(cc1)[C@@H](C)[NH2+]C[C@@H](O)[*:1]
CC[NH2+]C[C@@H](C(C)C)N1CCOCC1 CC(C)[*:1] CC[NH2+]C[C@@H](N1CCOCC1)[*:1]
CC(C)(C)c1nnc(SCC(=O)Nc2cccc(Br)c2)n1N CC(C)(C)[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1cccc(Br)c1
CC(C)(C)c1nnc(SCC(=O)Nc2cccc(Br)c2)n1N Brc1cccc(c1)[*:1] CC(C)(C)c1nnc(SCC(=O)N[*:1])n1N
Cc1ccc(C)c(N2CCN(C(=O)c3nnn(-c4nc(C)cs4)c3C)CC2)c1 Cc1csc(n1)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1nnn(c1C)[*:1]
Cc1ccc(C)c(N2CCN(C(=O)c3nnn(-c4nc(C)cs4)c3C)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cc1csc(n1)-n1nnc(C(=O)N2CCN(CC2)[*:1])c1C
COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(C)C COC(=O)[C@@H](C(C)C)[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)N[*:1]
COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(C)C COC(=O)[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)N[C@@H](C(C)C)[*:1]
COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(C)C CC(C)[*:1] COC(=O)[C@@H](NC(=O)c1nn(cc1[O-])-c1ccc(F)cc1C)[*:1]
COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(C)C Cc1cc(F)ccc1[*:1] COC(=O)[C@@H](NC(=O)c1nn(cc1[O-])[*:1])C(C)C
Cc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 Cc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-c1cccs1
Cc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 c1csc(c1)[*:1] Cc1ccccc1NC(=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
CN(C(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1)C1CCCCC1 C1CC1C[*:1] CN(C(=O)c1ccc(cc1)[N-]S(=O)(=O)C[*:1])C1CCCCC1
CN(C(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1)C1CCCCC1 C1CC1CC[*:1] CN(C(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1])C1CCCCC1
CN(C(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1)C1CCCCC1 C1CC1[*:1] CN(C(=O)c1ccc(cc1)[N-]S(=O)(=O)CC[*:1])C1CCCCC1
CN(C(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1ccc(cc1)[N-]S(=O)(=O)CCC1CC1)[*:1]
Cc1cc(C)c2oc(=O)n(C3CCN(C(=O)c4ccc(C#N)cc4)CC3)c2c1 N#Cc1ccc(cc1)[*:1] Cc1cc(C)c2oc(=O)n(c2c1)C1CCN(CC1)C(=O)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)Nc2ccnn2Cc2ccccn2)C1(C)C c1ccc(nc1)[*:1] CCO[C@@H]1C[C@@H](NC(=O)Nc2ccnn2C[*:1])C1(C)C
CCO[C@@H]1C[C@@H](NC(=O)Nc2ccnn2Cc2ccccn2)C1(C)C c1ccc(C[*:1])nc1 CCO[C@@H]1C[C@@H](NC(=O)Nc2ccnn2[*:1])C1(C)C
CCO[C@@H]1C[C@@H](NC(=O)Nc2ccnn2Cc2ccccn2)C1(C)C CCO[*:1] CC1(C)[C@@H](C[C@H]1[*:1])NC(=O)Nc1ccnn1Cc1ccccn1
O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCCCO2 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)[*:1])Nc1ccc2OCCCOc2c1
O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccccn1)Nc1ccccc1N2 c1ccc(nc1)[*:1] O=C1C[C@@H](CC2Nc3ccccc3N[C@@H](C=21)[*:1])c1ccccc1Cl
O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccccn1)Nc1ccccc1N2 Clc1ccccc1[*:1] O=C1C[C@H](CC2Nc3ccccc3N[C@H](C=21)c1ccccn1)[*:1]
Cc1cccc(Oc2ccc(N[C@H](C)C(=O)N(C)CCC#N)cc2)c1 N#CC[*:1] Cc1cccc(c1)Oc1ccc(cc1)N[C@H](C)C(=O)N(C)C[*:1]
Cc1cccc(Oc2ccc(N[C@H](C)C(=O)N(C)CCC#N)cc2)c1 Cc1cccc(c1)O[*:1] C[C@@H](Nc1ccc(cc1)[*:1])C(=O)N(C)CCC#N
Cc1cccc(Oc2ccc(N[C@H](C)C(=O)N(C)CCC#N)cc2)c1 CN(CCC#N)C(=O)[*:1] Cc1cccc(c1)Oc1ccc(cc1)N[C@H](C)[*:1]
Cc1cccc(Oc2ccc(N[C@H](C)C(=O)N(C)CCC#N)cc2)c1 Cc1cccc(c1)[*:1] C[C@@H](Nc1ccc(cc1)O[*:1])C(=O)N(C)CCC#N
Cc1cccc(Oc2ccc(N[C@H](C)C(=O)N(C)CCC#N)cc2)c1 N#CCC[*:1] Cc1cccc(c1)Oc1ccc(cc1)N[C@H](C)C(=O)N(C)[*:1]
O=C(NCC1CCOCC1)[C@H]1CC(C(c2ccccc2)c2ccccc2)=NO1 C1CC(CCO1)[*:1] O=C(NC[*:1])[C@H]1CC(=NO1)C(c1ccccc1)c1ccccc1
O=C(NCC1CCOCC1)[C@H]1CC(C(c2ccccc2)c2ccccc2)=NO1 C1CC(CCO1)C[*:1] O=C(N[*:1])[C@H]1CC(=NO1)C(c1ccccc1)c1ccccc1
O=C(NCC1CCOCC1)[C@H]1CC(C(c2ccccc2)c2ccccc2)=NO1 c1ccc(cc1)[*:1] O=C(NCC1CCOCC1)[C@H]1CC(=NO1)C(c1ccccc1)[*:1]
O=C(Cc1c(F)cccc1F)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] O=C(Cc1c(F)cccc1F)N(C[C@@H]1CCCO1)[*:1]
O=C(Cc1c(F)cccc1F)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@@H](C1)C[*:1] O=C(Cc1c(F)cccc1F)N([C@@H]1CCSC1)[*:1]
O=C(Cc1c(F)cccc1F)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@@H](C1)[*:1] O=C(Cc1c(F)cccc1F)N(C[*:1])[C@@H]1CCSC1
CC(C)N(Cc1cc(O)ccc1[N+](=O)[O-])CC(F)F O=[N+]([O-])[*:1] CC(C)N(Cc1cc(O)ccc1[*:1])CC(F)F
CC(C)N(Cc1cc(O)ccc1[N+](=O)[O-])CC(F)F FC(F)C[*:1] CC(C)N(Cc1cc(O)ccc1[N+](=O)[O-])[*:1]
CC(C)N(Cc1cc(O)ccc1[N+](=O)[O-])CC(F)F FC(F)[*:1] CC(C)N(Cc1cc(O)ccc1[N+](=O)[O-])C[*:1]
CC(C)N(Cc1cc(O)ccc1[N+](=O)[O-])CC(F)F CC(C)[*:1] O=[N+]([O-])c1ccc(O)cc1CN(CC(F)F)[*:1]
O=C1COCC(=O)N1Cc1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C1COCC(=O)N1Cc1ccn(n1)[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCC(N)=O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCC(N)=O)C[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCC(N)=O)Cc1ccccc1 NC(=O)C[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccccc1)C[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCC(N)=O)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCC(N)=O)[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCC(N)=O)Cc1ccccc1 NC(=O)CC[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccccc1)[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCC(N)=O)Cc1ccccc1 NC(=O)[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC[*:1])Cc1ccccc1
COc1ccc(CN2C[C@H](C(=O)N3CC[C@@H](C)[C@H](O)C3)CC2=O)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)CN1CC[NH+](C)CC1 O=[N+]([O-])[*:1] Cc1cccc(c1S(=O)(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[*:1]
COC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CC[NH2+][C@@H]1C COC(=O)[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Cl)cc1[*:1]
C[C@H](Sc1ccccn1)C(=O)N(Cc1cccs1)C1CC1 c1ccc(nc1)S[*:1] C[C@H](C(=O)N(Cc1cccs1)C1CC1)[*:1]
C[C@H](Sc1ccccn1)C(=O)N(Cc1cccs1)C1CC1 C1CC1[*:1] C[C@H](Sc1ccccn1)C(=O)N(Cc1cccs1)[*:1]
C[C@H](Sc1ccccn1)C(=O)N(Cc1cccs1)C1CC1 c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)N(Cc1cccs1)C1CC1
C[C@H](Sc1ccccn1)C(=O)N(Cc1cccs1)C1CC1 c1csc(c1)[*:1] C[C@H](Sc1ccccn1)C(=O)N(C[*:1])C1CC1
C[C@H](Sc1ccccn1)C(=O)N(Cc1cccs1)C1CC1 c1csc(c1)C[*:1] C[C@H](Sc1ccccn1)C(=O)N(C1CC1)[*:1]
O=C(C[NH+]1CCCCCC1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 C1CC1[*:1] O=C(C[NH+]1CCCCCC1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
CC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1 O=S(=O)(c1ccccc1)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1ccccc1Cl)[*:1]
CC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1 Clc1ccccc1[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)[*:1])S(=O)(=O)c1ccccc1
CC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1ccccc1Cl)S(=O)(=O)[*:1]
CC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1 O=C(N[*:1])c1ccccc1Cl CC(=O)N1CCN(CC1)C(=O)[C@@H](S(=O)(=O)c1ccccc1)[*:1]
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)C[C@H](C)O1 Clc1cc(Cl)cc(c1)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CCN(C(=O)CN(C1CC1)S(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 N#Cc1ccc(cc1)[*:1] CCN(C(=O)CN(C1CC1)S(=O)(=O)[*:1])C1CCCCC1
CCN(C(=O)CN(C1CC1)S(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)CN(C1CC1)S(=O)(=O)c1ccc(C#N)cc1)[*:1]
CCN(C(=O)CN(C1CC1)S(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 C1CC1[*:1] CCN(C(=O)CN(S(=O)(=O)c1ccc(C#N)cc1)[*:1])C1CCCCC1
COc1ccc(-c2nc(Cn3cnc4c(cnn4C)c3=O)cs2)cc1 COc1ccc(cc1)[*:1] Cn1ncc2c(=O)n(cnc21)Cc1csc(n1)[*:1]
CC1(C)C[C@](O)(Cc2nc(-c3ccccc3)cs2)CCO1 c1ccc(cc1)[*:1] CC1(C)C[C@@](O)(CCO1)Cc1nc(cs1)[*:1]
CN(C)c1ccc(/C=N/NC(=O)c2ccnn2C)cc1 Cn1nccc1[*:1] CN(C)c1ccc(/C=N/NC(=O)[*:1])cc1
CN(C)c1ccc(/C=N/NC(=O)c2ccnn2C)cc1 CN(C)[*:1] Cn1nccc1C(=O)N/N=C/c1ccc(cc1)[*:1]
C[C@@](NC(=O)NCC(N)=O)(C(=O)[O-])C(F)(F)F NC(=O)[*:1] C[C@@](NC(=O)NC[*:1])(C(=O)[O-])C(F)(F)F
C[C@@](NC(=O)NCC(N)=O)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@](NC(=O)NCC(N)=O)(C(=O)[O-])[*:1]
C[C@@](NC(=O)NCC(N)=O)(C(=O)[O-])C(F)(F)F NC(=O)C[*:1] C[C@@](NC(=O)N[*:1])(C(=O)[O-])C(F)(F)F
C[C@@](NC(=O)NCC(N)=O)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@](NC(=O)NCC(N)=O)(C(F)(F)F)[*:1]
CN(C)C(=O)CN(C)C(=O)[C@H]1COCCO1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)[C@H]1COCCO1
Cc1ccc(-n2c(=O)c3sccc3n(Cc3cccc(F)c3)c2=O)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)-n1c(=O)c2sccc2n(C[*:1])c1=O
Cc1ccc(-n2c(=O)c3sccc3n(Cc3cccc(F)c3)c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c2sccc2n(Cc2cccc(F)c2)c(=O)n1[*:1]
Cc1ccc(-n2c(=O)c3sccc3n(Cc3cccc(F)c3)c2=O)cc1 Fc1cccc(c1)C[*:1] Cc1ccc(cc1)-n1c(=O)c2sccc2n(c1=O)[*:1]
c1ccc(-n2cc(CNCCc3nc(-c4ccccn4)cs3)cn2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)-c1csc(CCNCc2cnn(c2)[*:1])n1
c1ccc(-n2cc(CNCCc3nc(-c4ccccn4)cs3)cn2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)-n1cc(cn1)CNCCc1nc(cs1)[*:1]
C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc3c(C)cccc3s2)ccc1Cl C=CCNS(=O)(=O)[*:1] Cc1cccc2sc(nc12)NC(=O)c1ccc(Cl)c(c1)[*:1]
C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc3c(C)cccc3s2)ccc1Cl C=CC[*:1] Cc1cccc2sc(nc12)NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
Cc1ccc(NC(=O)CSc2nnnn2CC(C)C)c(Br)c1 CC(C)[*:1] Cc1ccc(NC(=O)CSc2nnnn2C[*:1])c(Br)c1
Cc1ccc(NC(=O)CSc2nnnn2CC(C)C)c(Br)c1 CC(C)C[*:1] Cc1ccc(NC(=O)CSc2nnnn2[*:1])c(Br)c1
Cc1cc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3nc(-c4ccccc4)ns3)CC2)no1 Cc1cc(no1)[*:1] O=C(C[NH+]1CCN(CC1)S(=O)(=O)c1nc(ns1)-c1ccccc1)N[*:1]
Cc1cc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3nc(-c4ccccc4)ns3)CC2)no1 Cc1cc(no1)NC(=O)[*:1] O=S(=O)(c1nc(ns1)-c1ccccc1)N1CC[NH+](CC1)C[*:1]
Cc1cc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3nc(-c4ccccc4)ns3)CC2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)c1nc(ns1)[*:1]
Cc1cc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3nc(-c4ccccc4)ns3)CC2)no1 Cc1cc(no1)NC(=O)C[*:1] O=S(=O)(c1nc(ns1)-c1ccccc1)N1CC[NH+](CC1)[*:1]
O=C(NCc1ccon1)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] O=C(NCc1ccon1)c1ccnc(c1)O[*:1]
O=C(NCc1ccon1)c1ccnc(OC2CCC2)c1 c1cc(no1)[*:1] O=C(NC[*:1])c1ccnc(c1)OC1CCC1
O=C(NCc1ccon1)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] O=C(NCc1ccon1)c1ccnc(c1)[*:1]
O=C(NCc1ccon1)c1ccnc(OC2CCC2)c1 c1cc(C[*:1])no1 O=C(N[*:1])c1ccnc(c1)OC1CCC1
O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1 O=C([O-])[*:1] O=C(Cc1ccc2OCCc2c1)N1CCC[C@H](C1)[*:1]
CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)C1CCCC1 CNS(=O)(=O)[*:1] CCN(C(=O)Nc1ccc(C)c(c1)[*:1])C1CCCC1
CCN(C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NC)[*:1]
CC(=O)c1ccc(NC(=O)/N=c2\[nH]nc3ccccn23)cc1 CC(=O)[*:1] O=C(/N=c1\[nH]nc2ccccn12)Nc1ccc(cc1)[*:1]
Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2c1 c1cc(ccn1)[*:1] Cc1ccc2nc(cc(C(=O)N3CC[NH+](CC3)C3CCCCC3)c2c1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 N#Cc1ccc(s1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCc1cccc(c1)[*:1]
O=C(NNC(=O)[C@@H]1SCCc2ccccc21)c1cn[nH]n1 c1n[nH]nc1[*:1] O=C(NNC(=O)[*:1])[C@@H]1SCCc2ccccc21
COc1ccc(CNc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1-n1ncc2c(ncnc21)NC[*:1]
COc1ccc(CNc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(Cl)cc1-n1ncc2c(ncnc21)N[*:1]
COc1ccc(CNc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1 Cc1ccc(Cl)cc1[*:1] COc1ccc(cc1)CNc1ncnc2c1cnn2[*:1]
COc1cc(CNC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)ccn1 C1CC1[*:1] COc1cc(ccn1)CNC(=O)Nc1cc(ccc1C)C(=O)N[*:1]
COc1cc(CNC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)ccn1 COc1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])C(=O)NC1CC1
COc1cc(CNC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)ccn1 O=C(NC1CC1)[*:1] COc1cc(ccn1)CNC(=O)Nc1cc(ccc1C)[*:1]
Cc1ccc(C(=O)CCC(=O)NCc2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)C(=O)CCC(=O)NC[*:1]
Cc1ccc(C(=O)CCC(=O)NCc2ccncc2)cc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1)C(=O)CCC(=O)N[*:1]
Cc1ccc(C(=O)CCC(=O)NCc2ccncc2)cc1 Cc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])NCc1ccncc1
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 CC(C)(C)[*:1] Cc1nc([nH]c(=O)c1C(=O)NCc1ccc(o1)[C@H]1C[C@H]1C)[*:1]
Cc1[nH+]n(C(C)C)c(N)c1-c1ccccc1 CC(C)[*:1] Cc1[nH+]n(c(N)c1-c1ccccc1)[*:1]
Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)o1 Cc1ccc(o1)[*:1] CN(CC(=O)NC[*:1])S(=O)(=O)c1ccc2NC(=O)CCCc2c1
Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)o1 Cc1ccc(C[*:1])o1 CN(CC(=O)N[*:1])S(=O)(=O)c1ccc2NC(=O)CCCc2c1
Cn1cnnc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 Cn1cnnc1[*:1] Fc1ccc(cc1)[C@H]([NH2+]C[*:1])C1CCCC1
Cn1cnnc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] Cn1cnnc1C[NH2+][C@@H](c1ccc(F)cc1)[*:1]
Cn1cnnc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 Fc1ccc(cc1)[*:1] Cn1cnnc1C[NH2+][C@@H](C1CCCC1)[*:1]
CCC[C@](C)(Nc1cncc(C(=O)OC)n1)C(=O)[O-] CCC[*:1] COC(=O)c1cncc(n1)N[C@@](C)(C(=O)[O-])[*:1]
CCC[C@](C)(Nc1cncc(C(=O)OC)n1)C(=O)[O-] O=C([O-])[*:1] CCC[C@](C)(Nc1cncc(n1)C(=O)OC)[*:1]
CCC[C@](C)(Nc1cncc(C(=O)OC)n1)C(=O)[O-] COC(=O)[*:1] CCC[C@](C)(Nc1cncc(n1)[*:1])C(=O)[O-]
Cc1cnc([C@@H](C)NC(=O)NCc2cccc(C(F)(F)F)c2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)NCc1cccc(c1)C(F)(F)F)[*:1]
Cc1cnc([C@@H](C)NC(=O)NCc2cccc(C(F)(F)F)c2)s1 FC(F)(F)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NCc1cccc(c1)[*:1]
Clc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)c2ncon2)cc1 Clc1ccc(cc1)[*:1] c1nc(no1)[C@H]([NH2+]Cc1ccc2OCCOc2c1)[*:1]
COC1CCC(N(C)C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])CC1 CC(C)[*:1] COC1CCC(CC1)N(C)C(=O)c1nn(cc1[O-])-c1cccc(c1)[*:1]
COC1CCC(N(C)C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])CC1 COC1CCC(CC1)[*:1] CC(C)c1cccc(c1)-n1cc([O-])c(n1)C(=O)N(C)[*:1]
COC1CCC(N(C)C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])CC1 CC(C)c1cccc(c1)[*:1] COC1CCC(CC1)N(C)C(=O)c1nn(cc1[O-])[*:1]
O=C(COC(=O)C1CCC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 O=C(O[*:1])C1CCC1 O=C(C[*:1])Nc1cc(ccc1N1CCCCC1)C(F)(F)F
O=C(COC(=O)C1CCC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 O=C(OC[*:1])C1CCC1 O=C(Nc1cc(ccc1N1CCCCC1)C(F)(F)F)[*:1]
O=C(COC(=O)C1CCC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 C1CC(C1)[*:1] O=C(COC(=O)[*:1])Nc1cc(ccc1N1CCCCC1)C(F)(F)F
O=C(COC(=O)C1CCC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(COC(=O)C1CCC1)Nc1cc(ccc1[*:1])C(F)(F)F
O=C(COC(=O)C1CCC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 FC(F)(F)[*:1] O=C(COC(=O)C1CCC1)Nc1cc(ccc1N1CCCCC1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)Oc1cc(F)ccc1[*:1]
Cc1ccc(O[C@@H](C)C(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Oc1cc(F)ccc1[N+](=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)c2ccc(Cl)nn2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)S(=O)(=O)c1ccc(Cl)nn1
CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)c2ccc(Cl)nn2)C1 Clc1ccc(nn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)S(=O)(=O)[*:1]
Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] Cc1cc(ccc1S(=O)(=O)N1CCN(CC1)C(=O)[*:1])N1C(=O)[C@H](C)CS1(=O)=O
Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccncc1Cl)C(F)(F)F Clc1cnccc1[*:1] Cc1nn(C)c(C)c1[C@@H](OC(=O)[*:1])C(F)(F)F
Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccncc1Cl)C(F)(F)F FC(F)(F)[*:1] Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccncc1Cl)[*:1]
CC(C)[C@H]1CCCN([C@]2(C[NH3+])CSCCC2(C)C)CC1 CC(C)[*:1] CC1(C)CCSC[C@@]1(C[NH3+])N1CCC[C@@H](CC1)[*:1]
Cc1nn(C)c2c1nc([C@@H](C)Cl)n2[C@@H](C)Cn1ccnc1 C[C@@H](Cl)[*:1] Cc1nn(C)c2c1nc(n2[C@@H](C)Cn1ccnc1)[*:1]
Cc1nn(C)c2c1nc([C@@H](C)Cl)n2[C@@H](C)Cn1ccnc1 c1cn(cn1)[*:1] Cc1nn(C)c2c1nc([C@@H](C)Cl)n2[C@@H](C)C[*:1]
Cc1nn(C)c2c1nc([C@@H](C)Cl)n2[C@@H](C)Cn1ccnc1 c1cn(cn1)C[*:1] Cc1nn(C)c2c1nc([C@@H](C)Cl)n2[C@@H](C)[*:1]
O=C(CC(F)(F)F)N1CCN(C(=O)NCC[NH+]2CCCCC2)CC1 FC(F)(F)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)NCC[NH+]1CCCCC1
O=C(CC(F)(F)F)N1CCN(C(=O)NCC[NH+]2CCCCC2)CC1 FC(F)(F)C[*:1] O=C(NCC[NH+]1CCCCC1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(Nc2nc(N)nc(C[NH+]3CCCC3)n2)cc1 Cc1ccc(cc1)[*:1] Nc1nc(C[NH+]2CCCC2)nc(n1)N[*:1]
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NC1=NCCS1 Fc1ccc(cc1)[*:1] O=C(CCc1c([nH]c2ccccc12)[*:1])NC1=NCCS1
Cc1cc(C(=O)Nc2cccn(C)c2=O)cc(C)c1OCc1cccnc1 c1cncc(c1)CO[*:1] Cc1cc(cc(C)c1[*:1])C(=O)Nc1cccn(C)c1=O
Cc1cc(C(=O)Nc2cccn(C)c2=O)cc(C)c1OCc1cccnc1 c1cncc(c1)C[*:1] Cc1cc(cc(C)c1O[*:1])C(=O)Nc1cccn(C)c1=O
Cc1cc(C(=O)Nc2cccn(C)c2=O)cc(C)c1OCc1cccnc1 Cn1cccc(c1=O)[*:1] Cc1cc(cc(C)c1OCc1cccnc1)C(=O)N[*:1]
Cc1cc(C(=O)Nc2cccn(C)c2=O)cc(C)c1OCc1cccnc1 c1cncc(c1)[*:1] Cc1cc(cc(C)c1OC[*:1])C(=O)Nc1cccn(C)c1=O
CC[C@@H](C#N)S(=O)(=O)NCC1C(C)(C)C1(C)C CC[C@@H](C#N)[*:1] CC1(C)C(CNS(=O)(=O)[*:1])C1(C)C
Cc1c(C(=O)N[C@H]2C=CCCC2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H]1C=CCCC1
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)-c1nn(cc1/C=N/NC(=O)[*:1])-c1ccccc1
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(N/N=C/c1cn(nc1[*:1])-c1ccccc1)c1cccs1
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccs2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nn(cc1/C=N/NC(=O)c1cccs1)[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)COc1ccc(C)cc1 Cc1ccc(cc1)O[*:1] CSc1ccccc1NC(=O)CN(C)C(=O)C[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)COc1ccc(C)cc1 CSc1ccccc1[*:1] Cc1ccc(cc1)OCC(=O)N(C)CC(=O)N[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)COc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CSc1ccccc1NC(=O)CN(C)C(=O)CO[*:1]
Cc1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1C(=O)N(C)C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)CC=C[*:1]
Cc1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C/C=C/c1ccc(F)cc1
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO O=C(CO)[*:1] C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(O)[*:1]
CC(=O)N1CCN(CCn2ccc3nc(C(F)(F)F)ccc3c2=O)CC1 FC(F)(F)[*:1] CC(=O)N1CCN(CC1)CCn1ccc2nc(ccc2c1=O)[*:1]
N#Cc1cc(Cl)ccc1N1CCN(Cc2ccon2)CC1 c1cc(no1)[*:1] N#Cc1cc(Cl)ccc1N1CCN(CC1)C[*:1]
N#Cc1cc(Cl)ccc1N1CCN(Cc2ccon2)CC1 c1cc(C[*:1])no1 N#Cc1cc(Cl)ccc1N1CCN(CC1)[*:1]
Cc1ccc(C(N)=O)cc1-n1ncc2cccnc21 NC(=O)[*:1] Cc1ccc(cc1-n1ncc2cccnc21)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)/C=C/c1ccc(I)o1 Ic1ccc(o1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)C=C[*:1]
CC[NH2+]CCc1c(CC)nc(-c2ccccc2)nc1CC c1ccc(cc1)[*:1] CC[NH2+]CCc1c(CC)nc(nc1CC)[*:1]
C[NH2+][C@H](C)c1cc(F)ccc1O[C@H](C)C(=O)NC1CC1 C1CC1[*:1] C[NH2+][C@H](C)c1cc(F)ccc1O[C@H](C)C(=O)N[*:1]
C[NH2+][C@H](C)c1cc(F)ccc1O[C@H](C)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[NH2+][C@H](C)c1cc(F)ccc1O[C@H](C)[*:1]
N#Cc1ccccc1OCC(=O)NCc1ccnc(OC2CCC2)c1 N#Cc1ccccc1[*:1] O=C(CO[*:1])NCc1ccnc(c1)OC1CCC1
N#Cc1ccccc1OCC(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] N#Cc1ccccc1OCC(=O)NCc1ccnc(c1)O[*:1]
N#Cc1ccccc1OCC(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] N#Cc1ccccc1OCC(=O)NCc1ccnc(c1)[*:1]
O=C(NCCOc1cccc(F)c1)C(=O)Nc1ccc(F)c(F)c1 Fc1cccc(c1)[*:1] O=C(NCCO[*:1])C(=O)Nc1ccc(F)c(F)c1
O=C(NCCOc1cccc(F)c1)C(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(NCCOc1cccc(F)c1)C(=O)N[*:1]
O=C(NCCOc1cccc(F)c1)C(=O)Nc1ccc(F)c(F)c1 Fc1cccc(c1)O[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(F)c(F)c1
Brc1cn2c(C[NH2+]C[C@@H]3CCCCO3)cnc2cn1 C1CC[C@H](OC1)[*:1] Brc1cn2c(cnc2cn1)C[NH2+]C[*:1]
CC(=O)CCc1ccc(OCC(=O)Nc2cccc(F)c2C)cc1 CC(=O)[*:1] Cc1c(F)cccc1NC(=O)COc1ccc(cc1)CC[*:1]
CC(=O)CCc1ccc(OCC(=O)Nc2cccc(F)c2C)cc1 Cc1c(F)cccc1[*:1] CC(=O)CCc1ccc(cc1)OCC(=O)N[*:1]
CC(=O)CCc1ccc(OCC(=O)Nc2cccc(F)c2C)cc1 CC(=O)CC[*:1] Cc1c(F)cccc1NC(=O)COc1ccc(cc1)[*:1]
CC(=O)CCc1ccc(OCC(=O)Nc2cccc(F)c2C)cc1 CC(=O)C[*:1] Cc1c(F)cccc1NC(=O)COc1ccc(cc1)C[*:1]
C[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(N2CCOC2=O)cc1 C1CCC(CC1)[*:1] C[C@@H](N[C@H]1CCN(C1=O)[*:1])c1ccc(cc1)N1CCOC1=O
C[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] C[C@@H](N[C@H]1CCN(C1=O)C1CCCCC1)c1ccc(cc1)[*:1]
O=C(C[NH2+]C1CCCCC1)Nc1cccc(C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] O=C(C[NH2+]C1CCCCC1)Nc1cccc(c1)C(=O)NC[*:1]
O=C(C[NH2+]C1CCCCC1)Nc1cccc(C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] O=C(C[NH2+]C1CCCCC1)Nc1cccc(c1)C(=O)N[*:1]
O=C(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)N1CCC2(C1)OCCO2 FC(F)(F)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])C(=O)N1CCC2(C1)OCCO2
Cc1cc([C@@H](C[NH3+])NC2CCCCC2)ccc1Br C1CCC(CC1)[*:1] Cc1cc(ccc1Br)[C@@H](C[NH3+])N[*:1]
COc1ccc(CN2C(=O)CC3(CCCCC3)CC2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CN1C(=O)CC2(CCCCC2)CC1=O
Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](c4ccccc4)C3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CC[C@@H](C1)c1ccccc1
Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](c4ccccc4)C3)CC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CC[C@H](C1)[*:1]
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 CC(C)(C)[*:1] N#Cc1ccc(cc1Cl)NC(=O)N1CCN(CC1)C(=O)O[*:1]
COCCN1C[C@H](C(=O)NCC2CCCCC2)CC1=O COCC[*:1] O=C(NCC1CCCCC1)[C@@H]1CC(=O)N(C1)[*:1]
COCCN1C[C@H](C(=O)NCC2CCCCC2)CC1=O C1CCC(CC1)[*:1] COCCN1C[C@@H](CC1=O)C(=O)NC[*:1]
COCCN1C[C@H](C(=O)NCC2CCCCC2)CC1=O COC[*:1] O=C(NCC1CCCCC1)[C@@H]1CC(=O)N(C1)C[*:1]
COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Cl)cc3n2)cc1 COc1ccc(cc1)[*:1] Cc1cc2nn(nc2cc1NC(=O)c1ccccc1Cl)[*:1]
COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Cl)cc3n2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-n1nc2cc(C)c(cc2n1)NC(=O)[*:1]
COc1ccc(-c2n[nH]cc2C(=O)NCC(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)C[*:1] COc1ccc(cc1)-c1n[nH]cc1C(=O)N[*:1]
COc1ccc(-c2n[nH]cc2C(=O)NCC(=O)NC(C)(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)(C)NC(=O)CNC(=O)c1c[nH]nc1[*:1]
COc1ccc(-c2n[nH]cc2C(=O)NCC(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)-c1n[nH]cc1C(=O)NCC(=O)N[*:1]
COc1ccc(-c2n[nH]cc2C(=O)NCC(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)[*:1] COc1ccc(cc1)-c1n[nH]cc1C(=O)NC[*:1]
O=C(NCCCn1ccnc1)c1nnc2n(c1=O)CCN2c1ccccc1 c1cn(cn1)C[*:1] O=C(NCC[*:1])c1nnc2N(CCn2c1=O)c1ccccc1
O=C(NCCCn1ccnc1)c1nnc2n(c1=O)CCN2c1ccccc1 c1cn(cn1)[*:1] O=C(NCCC[*:1])c1nnc2N(CCn2c1=O)c1ccccc1
O=C(NCCCn1ccnc1)c1nnc2n(c1=O)CCN2c1ccccc1 c1cn(cn1)CCC[*:1] O=C(N[*:1])c1nnc2N(CCn2c1=O)c1ccccc1
O=C(NCCCn1ccnc1)c1nnc2n(c1=O)CCN2c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCn1ccnc1)c1nnc2N(CCn2c1=O)[*:1]
O=C(NCCCn1ccnc1)c1nnc2n(c1=O)CCN2c1ccccc1 c1cn(cn1)CC[*:1] O=C(NC[*:1])c1nnc2N(CCn2c1=O)c1ccccc1
Cc1noc(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n1 Cc1noc(n1)[*:1] O=C(OC[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
Cc1noc(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n1 Cc1noc(C[*:1])n1 O=C(O[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
Cc1noc(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n1 c1csc(c1)[*:1] Cc1noc(COC(=O)C2CCN(CC2)S(=O)(=O)[*:1])n1
Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)n1 Fc1cc(ccc1Cl)C[*:1] Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](CC2)[*:1])n1
Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)n1 c1csc(n1)[*:1] Cn1cc(C(=O)N[*:1])c(CC2CC[NH+](CC2)Cc2ccc(Cl)c(F)c2)n1
Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)n1 Fc1cc(ccc1Cl)[*:1] Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](CC2)C[*:1])n1
Cn1cc(C(=O)Nc2nccs2)c(CC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)n1 O=C(Nc1nccs1)[*:1] Cn1cc(c(CC2CC[NH+](CC2)Cc2ccc(Cl)c(F)c2)n1)[*:1]
C[C@@H]1CCCN(c2ncnc(N3CCN(CCO)CC3)c2N)C1 OCC[*:1] C[C@@H]1CCCN(C1)c1ncnc(c1N)N1CCN(CC1)[*:1]
C[C@@H]1CCCN(c2ncnc(N3CCN(CCO)CC3)c2N)C1 C[C@@H]1CCCN(C1)[*:1] Nc1c(ncnc1[*:1])N1CCN(CCO)CC1
Cc1ccc(C(=O)Nc2cc(C#N)ccc2Cl)s1 Cc1ccc(s1)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)[*:1]
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)O[C@@H]2CCS(=O)(=O)C2)cc1 CC(C)[*:1] O=C(O[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1ccc(cc1)[*:1]
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)O[C@@H]2CCS(=O)(=O)C2)cc1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)O[*:1]
Cc1nc(CC(=O)Nc2ccccc2OC(F)F)cs1 FC(F)[*:1] Cc1nc(cs1)CC(=O)Nc1ccccc1O[*:1]
Cc1nc(CC(=O)Nc2ccccc2OC(F)F)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])Nc1ccccc1OC(F)F
Cc1nc(CC(=O)Nc2ccccc2OC(F)F)cs1 FC(F)O[*:1] Cc1nc(cs1)CC(=O)Nc1ccccc1[*:1]
CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc2o1 CC(C)(C)[*:1] O=S(=O)([N-]c1ccc2oc(nc2c1)[*:1])c1ccc(F)c(F)c1
CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)ccc2o1 Fc1ccc(cc1F)[*:1] CC(C)(C)c1nc2cc(ccc2o1)[N-]S(=O)(=O)[*:1]
O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccccc1O c1ccc(cc1)[*:1] O=C(CS(=O)(=O)CCC[*:1])Nc1ccccc1O
O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccccc1O c1ccc(cc1)C[*:1] O=C(CS(=O)(=O)CC[*:1])Nc1ccccc1O
O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccccc1O Oc1ccccc1[*:1] O=C(CS(=O)(=O)CCCc1ccccc1)N[*:1]
COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(F)cc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC O=C(Nc1ccc(F)cc1)[*:1] COc1ccc(cc1OC)[C@H]1[C@H](c2cc(OC)c(cc2C(=O)N1C)OC)[*:1]
COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(F)cc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC COc1ccc(cc1OC)[*:1] COc1cc2C(=O)N(C)[C@H]([C@H](C(=O)Nc3ccc(F)cc3)c2cc1OC)[*:1]
COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(F)cc3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1[C@H](C(=O)N[*:1])c2cc(OC)c(cc2C(=O)N1C)OC
Cc1ccc(NC(=O)NC[C@@H](C)[S@](C)=O)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NC[C@@H](C)[S@](C)=O
Cc1ccc(C(=O)OC2CCC2)c(F)c1 C1CC(C1)[*:1] Cc1ccc(C(=O)O[*:1])c(F)c1
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(CNC(N)=O)cc2)c1 NC(=O)N[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)c1ccc(cc1)C[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(CNC(N)=O)cc2)c1 NC(=O)NC[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
CCCn1cc(NC(=O)N2CCC(C)(C(=O)OCC)CC2)cn1 CCOC(=O)[*:1] CCCn1cc(cn1)NC(=O)N1CCC(C)(CC1)[*:1]
CCCn1cc(NC(=O)N2CCC(C)(C(=O)OCC)CC2)cn1 CCC[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)Nc1cnn(c1)[*:1]
O=C([C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)N1Cc2ccccc2C[C@H]1[*:1]
O=C([C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCCC1 O=[N+]([O-])[*:1] O=C([C@@H]1Cc2ccccc2CN1C(=O)c1ccc(c(c1)[*:1])N1CCOCC1)N1CCCC1
O=C([C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCCC1 C1CN(CCO1)[*:1] O=C([C@@H]1Cc2ccccc2CN1C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1])N1CCCC1
O=C(Nc1nnc(-c2ccccc2)s1)N1C[C@H]2CC=CC[C@@H]2C1 c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[*:1])N1C[C@H]2CC=CC[C@@H]2C1
Cc1cccc(Cn2ccc(C(=O)C3CC3)c2)n1 C1CC1[*:1] Cc1cccc(Cn2ccc(c2)C(=O)[*:1])n1
Cc1cccc(Cn2ccc(C(=O)C3CC3)c2)n1 O=C(C1CC1)[*:1] Cc1cccc(Cn2ccc(c2)[*:1])n1
O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c2ccccc12 O=S(=O)([O-])[*:1] O=S(=O)([O-])c1ccc(c2ccccc12)[*:1]
CC(C)c1cc(C(=O)N(C)[C@H](C)Cc2cccs2)n(C)n1 c1csc(c1)[*:1] CC(C)c1cc(C(=O)N(C)[C@H](C)C[*:1])n(C)n1
CC(C)c1cc(C(=O)N(C)[C@H](C)Cc2cccs2)n(C)n1 CC(C)[*:1] C[C@H](Cc1cccs1)N(C)C(=O)c1cc(nn1C)[*:1]
CC(C)c1cc(C(=O)N(C)[C@H](C)Cc2cccs2)n(C)n1 c1csc(c1)C[*:1] CC(C)c1cc(C(=O)N(C)[C@H](C)[*:1])n(C)n1
CCN(Cc1cccc(C)c1)C(=O)Nc1cnccc1C Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)Nc1cnccc1C
CCN(Cc1cccc(C)c1)C(=O)Nc1cnccc1C Cc1ccncc1[*:1] CCN(Cc1cccc(C)c1)C(=O)N[*:1]
CN(CCOCC1CC1)C(=O)C1=NN(c2ccccc2)C(=O)CC1 C(C[*:1])OCC1CC1 CN(C(=O)C1CCC(=O)N(N=1)c1ccccc1)[*:1]
CN(CCOCC1CC1)C(=O)C1=NN(c2ccccc2)C(=O)CC1 C1CC1CO[*:1] CN(CC[*:1])C(=O)C1CCC(=O)N(N=1)c1ccccc1
CN(CCOCC1CC1)C(=O)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] CN(CCOCC1CC1)C(=O)C1CCC(=O)N(N=1)[*:1]
CN(CCOCC1CC1)C(=O)C1=NN(c2ccccc2)C(=O)CC1 C1CC1[*:1] CN(CCOC[*:1])C(=O)C1CCC(=O)N(N=1)c1ccccc1
CN(CCOCC1CC1)C(=O)C1=NN(c2ccccc2)C(=O)CC1 C1CC1C[*:1] CN(CCO[*:1])C(=O)C1CCC(=O)N(N=1)c1ccccc1
CN(CCOCC1CC1)C(=O)C1=NN(c2ccccc2)C(=O)CC1 C1CC1COC[*:1] CN(C[*:1])C(=O)C1CCC(=O)N(N=1)c1ccccc1
Cc1nc(-c2cccc(N[C@@H]3CC[C@H]([NH3+])C3)c2)cs1 Cc1nc(cs1)[*:1] [NH3+][C@H]1CC[C@H](C1)Nc1cccc(c1)[*:1]
CN(Cc1cccs1)S(=O)(=O)c1cccc2nsnc12 c1csc(c1)[*:1] CN(C[*:1])S(=O)(=O)c1cccc2nsnc12
CN(Cc1cccs1)S(=O)(=O)c1cccc2nsnc12 c1csc(c1)C[*:1] CN(S(=O)(=O)c1cccc2nsnc12)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3C)c3c(C)noc3n2)s1 Cc1ccc(F)cc1[*:1] Cc1ccc(s1)-c1cc(C(=O)N[*:1])c2c(C)noc2n1
Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3C)c3c(C)noc3n2)s1 Cc1ccc(s1)[*:1] Cc1ccc(F)cc1NC(=O)c1cc(nc2onc(C)c12)[*:1]
COc1cc(C)ccc1NC(=O)C(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] COc1cc(C)ccc1NC(=O)C(=O)NCC[*:1]
COc1cc(C)ccc1NC(=O)C(=O)NCCc1ccccn1 c1ccc(C[*:1])nc1 COc1cc(C)ccc1NC(=O)C(=O)NC[*:1]
CC(C)c1ccc2c(c1)[C@@]1(Nc3ccccc3C(=O)N1C[C@@H]1CCCO1)C(=O)N2 C1CO[C@@H](C1)[*:1] CC(C)c1ccc2NC(=O)[C@]3(Nc4ccccc4C(=O)N3C[*:1])c2c1
CC(C)c1ccc2c(c1)[C@@]1(Nc3ccccc3C(=O)N1C[C@@H]1CCCO1)C(=O)N2 CC(C)[*:1] O=C1c2ccccc2N[C@]2(C(=O)Nc3ccc(cc32)[*:1])N1C[C@@H]1CCCO1
CC(C)c1ccc2c(c1)[C@@]1(Nc3ccccc3C(=O)N1C[C@@H]1CCCO1)C(=O)N2 C1CO[C@@H](C1)C[*:1] CC(C)c1ccc2NC(=O)[C@]3(Nc4ccccc4C(=O)N3[*:1])c2c1
OCC1(C[NH2+]CC2=Cc3cc(Cl)ccc3OC2)CC1 OCC1(CC1)[*:1] Clc1ccc2OCC(=Cc2c1)C[NH2+]C[*:1]
OCC1(C[NH2+]CC2=Cc3cc(Cl)ccc3OC2)CC1 OCC1(CC1)C[*:1] Clc1ccc2OCC(=Cc2c1)C[NH2+][*:1]
C[C@@H](CCBr)CCN1CC(=O)N2CCC[C@H]2C1=O BrCC[*:1] C[C@@H](CCN1CC(=O)N2CCC[C@H]2C1=O)[*:1]
C[C@@H](CCBr)CCN1CC(=O)N2CCC[C@H]2C1=O C[C@@H](CCBr)C[*:1] O=C1[C@@H]2CCCN2C(=O)CN1C[*:1]
C[C@@H](CCBr)CCN1CC(=O)N2CCC[C@H]2C1=O C[C@@H](CCBr)[*:1] O=C1[C@@H]2CCCN2C(=O)CN1CC[*:1]
COc1ccc(NC(=O)C[NH+](C)Cc2coc(-c3cccs3)n2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)NC(=O)C[NH+](C)Cc1coc(n1)[*:1]
COc1ccc(NC(=O)C[NH+](C)Cc2coc(-c3cccs3)n2)cc1 COc1ccc(cc1)[*:1] C[NH+](CC(=O)N[*:1])Cc1coc(n1)-c1cccs1
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C1 c1ccc(cc1)C[*:1] C[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C1 c1ccc(cc1)CC[*:1] C[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(cc1)C(=O)NCC[*:1]
COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 COC(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cc(ccc1F)[*:1]
C[NH+](C)[N-]/C(=N/C(=O)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] C[NH+](C)[N-]/C(=N/C(=O)[*:1])N1CCOCC1
C[C@H]1CCC[C@@H]1NC(=O)c1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] C[C@H]1CCC[C@@H]1NC(=O)c1cccc(c1)[*:1]
O=C1CCCN1Cc1ccccc1C[NH2+]Cc1ccc(F)cc1F O=C1CCCN1C[*:1] Fc1ccc(C[NH2+]Cc2ccccc2[*:1])c(F)c1
O=C1CCCN1Cc1ccccc1C[NH2+]Cc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C1CCCN1Cc1ccccc1C[NH2+]C[*:1]
O=C1CCCN1Cc1ccccc1C[NH2+]Cc1ccc(F)cc1F O=C1CCCN1[*:1] Fc1ccc(C[NH2+]Cc2ccccc2C[*:1])c(F)c1
C[C@@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](NC(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
C[C@@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cc(ccc1Cl)N1CCCC1=O)[C@H](C)[*:1]
C[C@@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)[C@H](C)c1ccccc1 O=C1CCCN1[*:1] C[C@@H](NC(=O)c1cc(ccc1Cl)[*:1])[C@H](C)c1ccccc1
Cc1nc(Cl)cc(N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)n1 Cc1nc(Cl)cc(n1)[*:1] O=C(Cc1cccc(Cl)c1)N1CCN(CC1)[*:1]
Cc1nc(Cl)cc(N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)n1 Clc1cccc(c1)[*:1] Cc1nc(Cl)cc(n1)N1CCN(CC1)C(=O)C[*:1]
Cc1nc(Cl)cc(N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)n1 Clc1cccc(c1)C[*:1] Cc1nc(Cl)cc(n1)N1CCN(CC1)C(=O)[*:1]
O=C(CCNC(=O)NCc1ccc2c(c1)CCC2)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCNC(=O)NCc1ccc2CCCc2c1)N[*:1]
CC(C)C[NH+]1CCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 CC(C)C[*:1] O=C(Nc1cc(c[nH]c1=O)C(F)(F)F)C1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 FC(F)(F)[*:1] CC(C)C[NH+]1CCC(CC1)C(=O)Nc1cc(c[nH]c1=O)[*:1]
CC(C)C[NH+]1CCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 CC(C)[*:1] O=C(Nc1cc(c[nH]c1=O)C(F)(F)F)C1CC[NH+](CC1)C[*:1]
Cc1nc2ncccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccccc2Br)c1 Brc1ccccc1[*:1] Cc1nc2ncccc2c(=O)n1-c1ccc(F)c(c1)NC(=O)[*:1]
CC(C)[NH2+]C[C@H](C)[C@@H](C)N1CC[NH+](C2CCCC2)CC1 CC(C)[*:1] C[C@@H](C[NH2+][*:1])[C@@H](C)N1CC[NH+](CC1)C1CCCC1
CC(C)[NH2+]C[C@H](C)[C@@H](C)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] CC(C)[NH2+]C[C@H](C)[C@@H](C)N1CC[NH+](CC1)[*:1]
CC(C)[NH2+]C[C@H](C)[C@@H](C)N1CC[NH+](C2CCCC2)CC1 CC(C)[NH2+]C[*:1] C[C@H]([C@@H](C)N1CC[NH+](CC1)C1CCCC1)[*:1]
N#CCSC1=Nc2ccccc2OC1 N#CC[*:1] c1ccc2OCC(=Nc2c1)S[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(OCC(N)=O)c1 NC(=O)CO[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(OCC(N)=O)c1 NC(=O)C[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(c1)O[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(OCC(N)=O)c1 Cc1ccccc1[*:1] NC(=O)COc1cccc(c1)NC(=O)[C@H]1C[C@H]1[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(OCC(N)=O)c1 NC(=O)[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(c1)OC[*:1]
Cc1ccc([C@H](C)NS(=O)(=O)c2cnn(C)c2)o1 Cc1ccc(o1)[*:1] C[C@H](NS(=O)(=O)c1cnn(C)c1)[*:1]
Cc1ccc([C@H](C)NS(=O)(=O)c2cnn(C)c2)o1 Cn1cc(cn1)[*:1] Cc1ccc(o1)[C@H](C)NS(=O)(=O)[*:1]
C[C@]1(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)Cc2ccccc2C(=O)O1 C1CN(CCO1)[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)N[C@H](C[*:1])c1ccccc1
C[C@]1(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)Cc2ccccc2C(=O)O1 C1CN(CCO1)C[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)N[C@H](c1ccccc1)[*:1]
C[C@]1(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)Cc2ccccc2C(=O)O1 c1ccc(cc1)[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)N[C@H](CN1CCOCC1)[*:1]
CC[NH+](CC1CC1)Cn1nc(C(=O)NC)c2ccccc2c1=O C1CC1C[*:1] CC[NH+](Cn1nc(C(=O)NC)c2ccccc2c1=O)[*:1]
CC[NH+](CC1CC1)Cn1nc(C(=O)NC)c2ccccc2c1=O CNC(=O)[*:1] CC[NH+](CC1CC1)Cn1nc(c2ccccc2c1=O)[*:1]
CC[NH+](CC1CC1)Cn1nc(C(=O)NC)c2ccccc2c1=O C1CC1[*:1] CC[NH+](Cn1nc(C(=O)NC)c2ccccc2c1=O)C[*:1]
O=[N+]([O-])c1ccc(SCCCBr)cc1 O=[N+]([O-])[*:1] BrCCCSc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(SCCCBr)cc1 BrCC[*:1] O=[N+]([O-])c1ccc(cc1)SC[*:1]
O=[N+]([O-])c1ccc(SCCCBr)cc1 BrCCC[*:1] O=[N+]([O-])c1ccc(cc1)S[*:1]
C[NH2+]Cc1cc(OC)c(OC)cc1-c1sccc1C Cc1ccsc1[*:1] C[NH2+]Cc1cc(OC)c(cc1[*:1])OC
O=C(Cc1n[nH]c(=O)c2ccccc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)N/N=C/c1ccc(o1)-c1ccc(cc1)[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)N/N=C/c1ccc(o1)[*:1]
CCC[C@H]1C[C@H]1[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 CCC[*:1] c1ccc(cc1)[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@H]1[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 C1C[C@H](CO1)[*:1] CCC[C@H]1C[C@H]1[NH2+][C@@H](C[*:1])c1ccccc1
CCC[C@H]1C[C@H]1[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 C1C[C@H](CO1)C[*:1] CCC[C@H]1C[C@H]1[NH2+][C@@H](c1ccccc1)[*:1]
CCC[C@H]1C[C@H]1[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H]1C[C@H]1[NH2+][C@@H](C[C@@H]1CCOC1)[*:1]
CCOc1ccc(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)c(C)c1 CC(C)S(=O)(=O)[*:1] CCOc1ccc(NC(=O)[C@@H](C)[*:1])c(C)c1
CCOc1ccc(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)c(C)c1 CC(C)[*:1] CCOc1ccc(NC(=O)[C@@H](C)S(=O)(=O)[*:1])c(C)c1
CCOc1ccc(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)S(=O)(=O)C(C)C)[*:1]
CCS[C@H](C)C[C@H]1CC(N2CCOCC2)=CC(=O)[C@@H]1C(=O)OC CCS[*:1] COC(=O)[C@H]1C(=O)C=C(C[C@@H]1C[C@@H](C)[*:1])N1CCOCC1
CCS[C@H](C)C[C@H]1CC(N2CCOCC2)=CC(=O)[C@@H]1C(=O)OC COC(=O)[*:1] CCS[C@H](C)C[C@H]1CC(=CC(=O)[C@H]1[*:1])N1CCOCC1
CCS[C@H](C)C[C@H]1CC(N2CCOCC2)=CC(=O)[C@@H]1C(=O)OC C1CN(CCO1)[*:1] CCS[C@H](C)C[C@H]1CC(=CC(=O)[C@@H]1C(=O)OC)[*:1]
CCS[C@H](C)C[C@H]1CC(N2CCOCC2)=CC(=O)[C@@H]1C(=O)OC CCS[C@H](C)[*:1] COC(=O)[C@H]1C(=O)C=C(C[C@@H]1C[*:1])N1CCOCC1
C[C@@H]1C[NH+](Cc2ccc(C#CC[NH3+])cc2F)C[C@H]1C [NH3+]CC#C[*:1] C[C@@H]1C[NH+](Cc2ccc(cc2F)[*:1])C[C@H]1C
CC(C)N1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)CC1 CC(C)[*:1] O=C(/C=C/c1cc(Cl)c2OCCOc2c1)N1CCN(CC1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)[*:1]
COCc1cccc(NC(=O)N[C@H](C)c2ncc(C)s2)c1 Cc1cnc(s1)[*:1] COCc1cccc(c1)NC(=O)N[C@H](C)[*:1]
COCc1cccc(NC(=O)N[C@H](C)c2ncc(C)s2)c1 COC[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)c1sccc1NC(=O)N1CCC[C@H]1[*:1]
COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 COC(=O)[*:1] O=C(Nc1ccsc1[*:1])N1CCC[C@@H]1c1ccc(Cl)cc1
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccccc3Cl)c2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(Nc1ccccc1Cl)c1cccn(C[*:1])c1=O
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccccc3Cl)c2=O)c1 Clc1ccccc1[*:1] Cc1ccc(C)c(c1)Cn1cccc(C(=O)N[*:1])c1=O
Cc1sc2nc([C@H](C)OC(=O)Cn3ccc4ccccc43)[nH]c(=O)c2c1C c1ccc2c(c1)ccn2[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)OC(=O)C[*:1]
CC(C)N(CCCO)c1nc(Cl)ncc1F CC(C)[*:1] OCCCN(c1nc(Cl)ncc1F)[*:1]
CC(C)N(CCCO)c1nc(Cl)ncc1F OCC[*:1] CC(C)N(C[*:1])c1nc(Cl)ncc1F
CC(C)N(CCCO)c1nc(Cl)ncc1F OCCC[*:1] CC(C)N(c1nc(Cl)ncc1F)[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)NCCCOCC1CCOCC1 C1CC(CCO1)C[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCCCO[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)NCCCOCC1CCOCC1 C1CC(CCO1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCCCOC[*:1]
Cc1ccc2ncc(C(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)n2c1 CC(C)[*:1] Cc1ccc2ncc(C(=O)NC[C@H](N3CC[NH+](C)CC3)[*:1])n2c1
CC(C)C[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccc(Cl)s1 CC(C)[*:1] C[C@@H](NC(=O)[C@H](C[NH3+])C[*:1])c1ccc(Cl)s1
CC(C)C[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccc(Cl)s1 CC(C)C[*:1] C[C@@H](NC(=O)[C@H](C[NH3+])[*:1])c1ccc(Cl)s1
CC(C)C[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC(C)C[C@@H](C[NH3+])C(=O)N[C@H](C)[*:1]
C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[*:1]
Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 Cc1ccccc1[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCCC[C@H]1[NH2+]C[*:1]
C/[NH+]=C(/NC[C@H](C)N1CCOC[C@H]1C)NC(C)(C)C CC(C)(C)[*:1] C/[NH+]=C(/NC[C@H](C)N1CCOC[C@H]1C)N[*:1]
Cc1csc([C@@H](C)NC(=O)c2ccc(O)c(Cl)c2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)[*:1]
COCCNC(=O)NCC#CCN1CCc2ccccc2C1 COC[*:1] O=C(NCC#CCN1CCc2ccccc2C1)NC[*:1]
COCCNC(=O)NCC#CCN1CCc2ccccc2C1 COCC[*:1] O=C(NCC#CCN1CCc2ccccc2C1)N[*:1]
CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCN1CC[NH+](C)CC1 CCC[*:1] C[NH+]1CCN(CC[C@H]2CCC[C@@]2([NH2+][*:1])C(=O)[O-])CC1
CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCN1CC[NH+](C)CC1 C[NH+]1CCN(CC1)[*:1] CCC[NH2+][C@]1(CCC[C@@H]1CC[*:1])C(=O)[O-]
CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCN1CC[NH+](C)CC1 O=C([O-])[*:1] CCC[NH2+][C@]1(CCC[C@@H]1CCN1CC[NH+](C)CC1)[*:1]
Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cs1 O=C([O-])[*:1] Cc1nc(cs1)-c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)c(c1)[*:1]
Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cs1 Cc1nc(cs1)[*:1] O=C([O-])c1cc(ccc1F)S(=O)(=O)N1CCc2cc(ccc21)[*:1]
Cc1csc(C[S@](=O)Cc2csc(-c3ccccc3F)n2)n1 Cc1csc(n1)[*:1] O=[S@](Cc1csc(n1)-c1ccccc1F)C[*:1]
Cc1csc(C[S@](=O)Cc2csc(-c3ccccc3F)n2)n1 Fc1ccccc1[*:1] Cc1csc(C[S@](=O)Cc2csc(n2)[*:1])n1
Cc1csc(C[S@](=O)Cc2csc(-c3ccccc3F)n2)n1 Cc1csc(C[*:1])n1 O=[S@](Cc1csc(n1)-c1ccccc1F)[*:1]
O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1ccc(CN2C(=O)CSC2=O)cc1 Fc1ccc(Br)c(c1)[*:1] O=C(CCNC(=O)[*:1])Nc1ccc(cc1)CN1C(=O)CSC1=O
O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1ccc(CN2C(=O)CSC2=O)cc1 O=C1CSC(=O)N1C[*:1] O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1ccc(cc1)[*:1]
O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1ccc(CN2C(=O)CSC2=O)cc1 O=C1CSC(=O)N1[*:1] O=C(CCNC(=O)c1cc(F)ccc1Br)Nc1ccc(cc1)C[*:1]
CC(=O)c1ccc(NC(=O)CN2CCSc3ccc(Cl)cc32)cc1 CC(=O)[*:1] O=C(CN1CCSc2ccc(Cl)cc21)Nc1ccc(cc1)[*:1]
C[C@@H](CC#N)N(C)Cc1cnc(N(C)C)s1 C[C@@H](CC#N)[*:1] CN(C)c1ncc(CN(C)[*:1])s1
C[C@@H](CC#N)N(C)Cc1cnc(N(C)C)s1 N#CC[*:1] C[C@@H](N(C)Cc1cnc(s1)N(C)C)[*:1]
C[C@@H](CC#N)N(C)Cc1cnc(N(C)C)s1 CN(C)[*:1] C[C@@H](CC#N)N(C)Cc1cnc(s1)[*:1]
CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(/C=N\OC)cc1 CCC[*:1] CO/N=C\c1ccc(cc1)C(=O)N(C[C@@H]1COc2ccccc2O1)[*:1]
CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(/C=N\OC)cc1 CON=C[*:1] CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(cc1)[*:1]
C[C@H](C(=O)NC1CC1)N1CC[NH+](CC2(CO)COC2)CC1 C1CC1[*:1] C[C@H](C(=O)N[*:1])N1CC[NH+](CC1)CC1(CO)COC1
C[C@H](C(=O)NC1CC1)N1CC[NH+](CC2(CO)COC2)CC1 OCC1(COC1)[*:1] C[C@H](C(=O)NC1CC1)N1CC[NH+](CC1)C[*:1]
C[C@H](C(=O)NC1CC1)N1CC[NH+](CC2(CO)COC2)CC1 OCC1(COC1)C[*:1] C[C@H](C(=O)NC1CC1)N1CC[NH+](CC1)[*:1]
C[C@H](C(=O)NC1CC1)N1CC[NH+](CC2(CO)COC2)CC1 O=C(NC1CC1)[*:1] C[C@H](N1CC[NH+](CC1)CC1(CO)COC1)[*:1]
CCC(CC)CN(CC)C(=O)Cc1c(C)[nH]c2ccnn2c1=O CCC(CC)C[*:1] CCN(C(=O)Cc1c(C)[nH]c2ccnn2c1=O)[*:1]
CCC(CC)CN(CC)C(=O)Cc1c(C)[nH]c2ccnn2c1=O CCC(CC)[*:1] CCN(C[*:1])C(=O)Cc1c(C)[nH]c2ccnn2c1=O
Cc1nsnc1CSCC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1nsnc1CSCC(=O)N[*:1]
Cc1nsnc1CSCC(=O)Nc1ccccc1 Cc1nsnc1[*:1] O=C(CSC[*:1])Nc1ccccc1
Cc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccoc3)CC2)cc1C c1cc(co1)[*:1] Cc1ccc(cc1C)S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccoc3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(c1ccoc1)N1CCC(CC1)CNS(=O)(=O)[*:1]
Cc1cnc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 Cc1cnc(s1)[*:1] O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N[*:1]
CN(C(=O)c1cccc(-c2nc(-c3cnccn3)no2)c1)c1ccccc1 c1cnc(cn1)[*:1] CN(C(=O)c1cccc(c1)-c1nc(no1)[*:1])c1ccccc1
CN(C(=O)c1cccc(-c2nc(-c3cnccn3)no2)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1cccc(c1)-c1nc(no1)-c1cnccn1)[*:1]
C[NH2+]C1CCC(NC(=O)c2cccs2)CC1 c1csc(c1)[*:1] C[NH2+]C1CCC(CC1)NC(=O)[*:1]
O=C1C[C@@H](c2ccccc2)N(Cc2ccc(OCC(F)F)cc2)CCN1 FC(F)CO[*:1] O=C1C[C@@H](c2ccccc2)N(CCN1)Cc1ccc(cc1)[*:1]
O=C1C[C@@H](c2ccccc2)N(Cc2ccc(OCC(F)F)cc2)CCN1 c1ccc(cc1)[*:1] O=C1C[C@@H](N(CCN1)Cc1ccc(cc1)OCC(F)F)[*:1]
O=C1C[C@@H](c2ccccc2)N(Cc2ccc(OCC(F)F)cc2)CCN1 FC(F)[*:1] O=C1C[C@@H](c2ccccc2)N(CCN1)Cc1ccc(cc1)OC[*:1]
O=C1C[C@@H](c2ccccc2)N(Cc2ccc(OCC(F)F)cc2)CCN1 FC(F)C[*:1] O=C1C[C@@H](c2ccccc2)N(CCN1)Cc1ccc(cc1)O[*:1]
C[C@H]1CCC[C@H](C)N1c1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)s1 Brc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)N1c1nnc(NC(=O)c2cc(on2)[*:1])s1
Cc1ccc(S(=O)(=O)CCC(=O)NC[C@H]2COc3ccccc3O2)cc1 Cc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])NC[C@H]1COc2ccccc2O1
CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(-n3cccc3)nc2)C1 CC(C)[*:1] O=C(c1ccc(nc1)-n1cccc1)N1CCC[C@H](CNC(=O)[*:1])C1
CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(-n3cccc3)nc2)C1 CC(C)C(=O)N[*:1] O=C(c1ccc(nc1)-n1cccc1)N1CCC[C@@H](C1)C[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(-n3cccc3)nc2)C1 c1ccn(c1)[*:1] CC(C)C(=O)NC[C@H]1CCCN(C1)C(=O)c1ccc(nc1)[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(-n3cccc3)nc2)C1 CC(C)C(=O)NC[*:1] O=C(c1ccc(nc1)-n1cccc1)N1CCC[C@@H](C1)[*:1]
O=C(c1ccncc1)N1CCCN(c2ncccc2C(F)(F)F)CC1 c1cc(ccn1)[*:1] O=C(N1CCCN(CC1)c1ncccc1C(F)(F)F)[*:1]
O=C(c1ccncc1)N1CCCN(c2ncccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccncc1)N1CCCN(CC1)c1ncccc1[*:1]
CC(C)[NH2+]Cc1ccccc1-n1cnc2ccccc21 CC(C)[*:1] c1ccc(c(c1)C[NH2+][*:1])-n1cnc2ccccc21
Cc1cccc2nc(CNC(=O)C(=O)Nc3cccc(N(C)C(C)C)c3)cn12 CC(C)N(C)[*:1] Cc1cccc2nc(cn12)CNC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1cccc2nc(CNC(=O)C(=O)Nc3cccc(N(C)C(C)C)c3)cn12 CC(C)[*:1] Cc1cccc2nc(cn12)CNC(=O)C(=O)Nc1cccc(c1)N(C)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 C1CCC(C1)[*:1] CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 CC(C)[*:1] C[C@@](C#N)(NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1)[*:1]
O=C(CCSc1ccccc1F)NC[C@@H]1CCCN(c2ncccn2)C1 Fc1ccccc1[*:1] O=C(CCS[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
O=C(CCSc1ccccc1F)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(CCSc1ccccc1F)NC[C@@H]1CCCN(C1)[*:1]
O=C(CCSc1ccccc1F)NC[C@@H]1CCCN(c2ncccn2)C1 Fc1ccccc1S[*:1] O=C(CC[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)n1C CC(=O)[*:1] CCOc1ccc(cc1CSc1nnc(-c2ccncc2)n1C)[*:1]
CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)n1C c1cc(ccn1)[*:1] CCOc1ccc(cc1CSc1nnc(n1C)[*:1])C(C)=O
CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)n1C CCO[*:1] CC(=O)c1ccc(c(c1)CSc1nnc(-c2ccncc2)n1C)[*:1]
CCCCCC[C@@H](C)NC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 CCCCCC[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)C1CCN(CC1)C(=O)N[C@H](C)[*:1]
CCCCCC[C@@H](C)NC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 CCCC[*:1] C[C@H](CC[*:1])NC(=O)N1CCC(CC1)C(=O)N1C[C@@H](C)O[C@H](C)C1
CCCCCC[C@@H](C)NC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 CCC[*:1] C[C@H](CCC[*:1])NC(=O)N1CCC(CC1)C(=O)N1C[C@@H](C)O[C@H](C)C1
CCCCCC[C@@H](C)NC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 CCCCCC[C@@H](C)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)C1CCN(CC1)C(=O)N[*:1]
CCCCCC[C@@H](C)NC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 CCCCC[*:1] C[C@H](C[*:1])NC(=O)N1CCC(CC1)C(=O)N1C[C@@H](C)O[C@H](C)C1
CC1(C)S[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[NH2+][C@@H]1C(=O)[O-] O=[N+]([O-])[*:1] CC1(C)S[C@@H]([NH2+][C@@H]1C(=O)[O-])c1ccc(o1)-c1cccc(c1)[*:1]
COc1cc([C@H]2Nc3ccccc3C(=O)N2CC(C)C)ccc1O CC(C)C[*:1] COc1cc(ccc1O)[C@H]1Nc2ccccc2C(=O)N1[*:1]
COc1cc([C@H]2Nc3ccccc3C(=O)N2CC(C)C)ccc1O CC(C)[*:1] COc1cc(ccc1O)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
O=c1[nH]nc([S@@](=O)CCc2ccccc2)n1C[C@H]1CCCO1 c1ccc(cc1)C[*:1] O=c1[nH]nc(n1C[C@H]1CCCO1)[S@@](=O)C[*:1]
O=c1[nH]nc([S@@](=O)CCc2ccccc2)n1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=c1[nH]nc(n1C[*:1])[S@@](=O)CCc1ccccc1
O=c1[nH]nc([S@@](=O)CCc2ccccc2)n1C[C@H]1CCCO1 c1ccc(cc1)[*:1] O=c1[nH]nc(n1C[C@H]1CCCO1)[S@@](=O)CC[*:1]
O=c1[nH]nc([S@@](=O)CCc2ccccc2)n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=c1[nH]nc(n1[*:1])[S@@](=O)CCc1ccccc1
CC(C)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cn1 CC(C)[*:1] O=C([O-])c1ccc(nc1)S(=O)(=O)N[C@@H](CO)[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cn1 O=C([O-])[*:1] CC(C)[C@H](CO)NS(=O)(=O)c1ccc(cn1)[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cn1 CC(C)[C@H](CO)[*:1] O=C([O-])c1ccc(nc1)S(=O)(=O)N[*:1]
c1cncc(CN2CCC[C@H](c3ccncc3)C2)c1 c1cncc(c1)[*:1] c1cc(ccn1)[C@H]1CCCN(C1)C[*:1]
c1cncc(CN2CCC[C@H](c3ccncc3)C2)c1 c1cc(ccn1)[*:1] c1cncc(c1)CN1CCC[C@H](C1)[*:1]
COC(=O)[C@H]1CCN(C(=O)C[C@@H](C)c2cccc(F)c2)c2ccccc21 Fc1cccc(c1)[*:1] COC(=O)[C@H]1CCN(C(=O)C[C@@H](C)[*:1])c2ccccc21
COC(=O)[C@H]1CCN(C(=O)C[C@@H](C)c2cccc(F)c2)c2ccccc21 COC(=O)[*:1] C[C@H](CC(=O)N1CC[C@@H](c2ccccc21)[*:1])c1cccc(F)c1
CC(C)c1nc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])[*:1] CC(C)c1nc(cs1)[C@@H](C)N[C@H](C)c1ccc(cc1)[*:1]
CC(C)c1nc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 CC(C)[*:1] C[C@@H](N[C@H](C)c1csc(n1)[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1ccn2c([C@@H]3CCCC[C@@H]3C(=O)[O-])nnc2c1 O=C([O-])[*:1] Cc1ccn2c(nnc2c1)[C@@H]1CCCC[C@H]1[*:1]
CCCCNC(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 CCC[*:1] CC(C)[C@@H]([NH3+])c1ccn(c1)CC(=O)NC[*:1]
CCCCNC(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 CCCC[*:1] CC(C)[C@@H]([NH3+])c1ccn(c1)CC(=O)N[*:1]
CCCCNC(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 CC(C)[*:1] CCCCNC(=O)Cn1ccc(c1)[C@H]([NH3+])[*:1]
Cc1ccccc1OCC(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] Cc1ccccc1OCC(=O)N(Cc1ccc(o1)[*:1])[C@H]1CCS(=O)(=O)C1
Cc1ccccc1OCC(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 Cc1ccccc1OC[*:1] O=C(N(Cc1ccc(o1)-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccccc1OCC(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 Cc1ccccc1[*:1] O=C(CO[*:1])N(Cc1ccc(o1)-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1
Cc1ccccc1OCC(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 Cc1ccccc1O[*:1] O=C(C[*:1])N(Cc1ccc(o1)-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1
O=[N+]([O-])c1ccccc1C[C@H](Cl)c1ccc(F)c(F)c1F O=[N+]([O-])[*:1] Fc1ccc(c(F)c1F)[C@@H](Cl)Cc1ccccc1[*:1]
COc1cc2c(=O)[nH]c(CC(=O)c3cccc(C)c3C)nc2cc1OC(F)F FC(F)O[*:1] COc1cc2c(=O)[nH]c(CC(=O)c3cccc(C)c3C)nc2cc1[*:1]
COc1cc2c(=O)[nH]c(CC(=O)c3cccc(C)c3C)nc2cc1OC(F)F FC(F)[*:1] COc1cc2c(=O)[nH]c(CC(=O)c3cccc(C)c3C)nc2cc1O[*:1]
COc1cc2c(=O)[nH]c(CC(=O)c3cccc(C)c3C)nc2cc1OC(F)F Cc1cccc(c1C)[*:1] COc1cc2c(=O)[nH]c(CC(=O)[*:1])nc2cc1OC(F)F
CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2 CC[C@@H](C)[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccccc1[*:1]
CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2 O=C([O-])[*:1] CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1[C@@H]([C@@H]2C=C[C@H]1C2)[*:1]
CCOC(=O)c1c(C)oc2nc(COC(=O)[C@@]34CCC(=O)N3CCS4)nc(N)c12 CCOC(=O)[*:1] Cc1oc2nc(COC(=O)[C@@]34CCC(=O)N3CCS4)nc(N)c2c1[*:1]
COc1ccc([C@H](C)N(C)C(=O)Nc2cccc(N(C)C(C)C)c2)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)Nc1cccc(c1)N(C)[*:1]
COc1ccc([C@H](C)N(C)C(=O)Nc2cccc(N(C)C(C)C)c2)cc1 COc1ccc(cc1)[*:1] CC(C)N(C)c1cccc(c1)NC(=O)N(C)[C@@H](C)[*:1]
COc1ccc([C@H](C)N(C)C(=O)Nc2cccc(N(C)C(C)C)c2)cc1 CC(C)N(C)[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)Nc1cccc(c1)[*:1]
CC(C)c1ccc(CS(=O)(=O)C[C@H](O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CC(C)c1ccc(cc1)CS(=O)(=O)C[C@H](O)[*:1]
CC(C)c1ccc(CS(=O)(=O)C[C@H](O)c2cccc(F)c2)cc1 CC(C)[*:1] O=S(=O)(Cc1ccc(cc1)[*:1])C[C@H](O)c1cccc(F)c1
C[C@H]1C[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)[NH2+]Cc1ccn(n1)[*:1]
C[C@H]1C[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1[*:1])[NH2+]Cc1ccn(n1)-c1ccccc1
[O-][N+]1=C(c2ccccc2)C(c2ccccc2)=[N+]([O-])[C@@H]2CCCC[C@H]21 c1ccc(cc1)[*:1] [O-][N+]1=C(C(=[N+]([O-])[C@@H]2CCCC[C@H]21)[*:1])c1ccccc1
C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](C(=O)N[C@H](C)[*:1])[NH+]1CCCC1
Cn1ccs/c1=N\C(=O)COc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] Cn1ccs/c1=N\C(=O)COc1ccc(cc1)[*:1]
CCOc1cccc2cc(-c3nnc(NC(=O)c4ccc(S(=O)(=O)C(C)C)cc4)o3)oc12 CC(C)[*:1] CCOc1cccc2cc(oc12)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)[*:1])o1
CCOc1cccc2cc(-c3nnc(NC(=O)c4ccc(S(=O)(=O)C(C)C)cc4)o3)oc12 CCO[*:1] CC(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1cc2cccc(c2o1)[*:1]
CCOc1cccc2cc(-c3nnc(NC(=O)c4ccc(S(=O)(=O)C(C)C)cc4)o3)oc12 CC(C)S(=O)(=O)[*:1] CCOc1cccc2cc(oc12)-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
Cc1ccc(NC(=O)NCC(=O)N(C)C)s1 CN(C)C(=O)[*:1] Cc1ccc(NC(=O)NC[*:1])s1
CCOc1ccc(N(C[C@H]2C=c3ccccc3=[NH+]C2=O)C(=O)c2cccnc2)cc1 CCOc1ccc(cc1)[*:1] O=C1[NH+]=c2ccccc2=C[C@@H]1CN(C(=O)c1cccnc1)[*:1]
CCOc1ccc(N(C[C@H]2C=c3ccccc3=[NH+]C2=O)C(=O)c2cccnc2)cc1 c1cncc(c1)[*:1] CCOc1ccc(cc1)N(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)[*:1]
CCOc1ccc(N(C[C@H]2C=c3ccccc3=[NH+]C2=O)C(=O)c2cccnc2)cc1 CCO[*:1] O=C1[NH+]=c2ccccc2=C[C@@H]1CN(C(=O)c1cccnc1)c1ccc(cc1)[*:1]
Cc1ccc([C@](O)(CCNC(=O)Nc2nc3ccccc3s2)C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@](O)(CCNC(=O)Nc1nc2ccccc2s1)[*:1]
Cc1ccc([C@](O)(CCNC(=O)Nc2nc3ccccc3s2)C(F)(F)F)o1 Cc1ccc(o1)[*:1] O=C(NCC[C@@](O)(C(F)(F)F)[*:1])Nc1nc2ccccc2s1
Cc1ccc([C@](O)(CCNC(=O)Nc2nc3ccccc3s2)C(F)(F)F)o1 c1ccc2sc(nc2c1)[*:1] Cc1ccc(o1)[C@](O)(CCNC(=O)N[*:1])C(F)(F)F
CCc1nccn1-c1cncc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 c1ccc(cc1)[*:1] CCc1nccn1-c1cncc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCc1nccn1-c1cncc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 CCc1nccn1[*:1] O=C(c1ccccc1)N1CCC[C@H](C1)c1cncc(n1)[*:1]
Cc1noc(CN2CCN(C(=O)c3cc4cccc(Cl)c4o3)CC2)n1 Cc1noc(n1)[*:1] O=C(c1cc2cccc(Cl)c2o1)N1CCN(CC1)C[*:1]
Cc1noc(CN2CCN(C(=O)c3cc4cccc(Cl)c4o3)CC2)n1 Cc1noc(C[*:1])n1 O=C(c1cc2cccc(Cl)c2o1)N1CCN(CC1)[*:1]
O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(C(=O)NC2CC2)cc1 C1CC1[*:1] O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(cc1)C(=O)N[*:1]
O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(cc1)[*:1]
CN(Cc1nc2ccccc2o1)C(=O)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1nc2ccccc2o1)C(=O)C[C@H](O)[*:1]
O=C(/C=C/c1ccccc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F C(=C[*:1])c1ccccc1 O=C(NC(=S)Nc1cc(ccc1F)[N+](=O)[O-])[*:1]
O=C(/C=C/c1ccccc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(ccc1F)[*:1]
O=C(/C=C/c1ccccc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F c1ccc(cc1)[*:1] O=C(C=C[*:1])NC(=S)Nc1cc(ccc1F)[N+](=O)[O-]
C=CCNS(=O)(=O)c1cccnc1Cl C=CC[*:1] O=S(=O)(N[*:1])c1cccnc1Cl
CCOC(=O)[C@@H](NC(C)=O)[C@H](O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOC(=O)[C@@H](NC(C)=O)[C@H](O)c1ccccc1[*:1]
CCOC(=O)[C@@H](NC(C)=O)[C@H](O)c1ccccc1[N+](=O)[O-] CC(=O)N[*:1] CCOC(=O)[C@@H]([C@H](O)c1ccccc1[N+](=O)[O-])[*:1]
CCOC(=O)[C@@H](NC(C)=O)[C@H](O)c1ccccc1[N+](=O)[O-] CCOC(=O)[*:1] CC(=O)N[C@@H]([C@H](O)c1ccccc1[N+](=O)[O-])[*:1]
Cc1noc(CNC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1 Cc1noc(C[*:1])n1 O=C(N[*:1])C1CCN(CC1)C(=O)NCc1ccc(F)cc1
Cc1noc(CNC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)C[*:1] Cc1noc(CNC(=O)C2CCN(CC2)C(=O)N[*:1])n1
Cc1noc(CNC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1 Cc1noc(n1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)NCc1ccc(F)cc1
Cc1noc(CNC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] Cc1noc(CNC(=O)C2CCN(CC2)C(=O)NC[*:1])n1
Cc1ccc([C@@H](CNC(=O)c2ccc[n+]([O-])c2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)c1ccc[n+]([O-])c1)[*:1]
Cc1ccc([C@@H](CNC(=O)c2ccc[n+]([O-])c2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1ccc[n+]([O-])c1
Cc1ccc([C@@H](CNC(=O)c2ccc[n+]([O-])c2)N2CCOCC2)cc1 [O-][n+]1cccc(c1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)[*:1])N1CCOCC1
Cc1ccc2[nH+]c(N)n(CC[C@@H]3CCCO3)c2c1 C1CO[C@@H](C1)[*:1] Cc1ccc2[nH+]c(N)n(CC[*:1])c2c1
Cc1ccc2[nH+]c(N)n(CC[C@@H]3CCCO3)c2c1 C1CO[C@@H](C1)C[*:1] Cc1ccc2[nH+]c(N)n(C[*:1])c2c1
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1 CCOc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CSC1NC(=O)C[C@H](C=1C#N)[*:1]
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1 Cc1ccccc1NC(=O)[*:1] CCOc1ccc(cc1)[C@@H]1CC(=O)NC(SC[*:1])=C1C#N
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1 Cc1ccccc1[*:1] CCOc1ccc(cc1)[C@@H]1CC(=O)NC(SCC(=O)N[*:1])=C1C#N
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1 CCO[*:1] Cc1ccccc1NC(=O)CSC1NC(=O)C[C@H](C=1C#N)c1ccc(cc1)[*:1]
Cc1nc(-c2cccc(NCc3nc4c(s3)CCC4)c2)cs1 Cc1nc(cs1)[*:1] c1cc(cc(c1)[*:1])NCc1nc2CCCc2s1
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(NC(C)=O)cc2)cc1 CC(=O)N[*:1] CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(NC(C)=O)cc2)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CCc1onc(C)c1NC(=O)N[C@@H]1COc2c(cccc2OC)C1 CCc1onc(C)c1[*:1] COc1cccc2C[C@@H](COc21)NC(=O)N[*:1]
CCC[NH+](CCC(C)C)CC1CC[NH2+]CC1 CC(C)[*:1] CCC[NH+](CC[*:1])CC1CC[NH2+]CC1
CCC[NH+](CCC(C)C)CC1CC[NH2+]CC1 CC(C)C[*:1] CCC[NH+](CC1CC[NH2+]CC1)C[*:1]
CCC[NH+](CCC(C)C)CC1CC[NH2+]CC1 CCC[*:1] CC(C)CC[NH+](CC1CC[NH2+]CC1)[*:1]
CCC[NH+](CCC(C)C)CC1CC[NH2+]CC1 CC(C)CC[*:1] CCC[NH+](CC1CC[NH2+]CC1)[*:1]
O=c1ccc([N+](=O)[O-])cn1CCn1cnc2ccsc2c1=O O=[N+]([O-])[*:1] O=c1ccc(cn1CCn1cnc2ccsc2c1=O)[*:1]
C[C@H](c1ccco1)N(C(=O)NCc1cccc(N(C)C)c1)C1CC1 C1CC1[*:1] C[C@H](c1ccco1)N(C(=O)NCc1cccc(c1)N(C)C)[*:1]
C[C@H](c1ccco1)N(C(=O)NCc1cccc(N(C)C)c1)C1CC1 CN(C)[*:1] C[C@H](c1ccco1)N(C(=O)NCc1cccc(c1)[*:1])C1CC1
C[C@H](c1ccco1)N(C(=O)NCc1cccc(N(C)C)c1)C1CC1 c1coc(c1)[*:1] C[C@H](N(C(=O)NCc1cccc(c1)N(C)C)C1CC1)[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(C(F)(F)F)cc4)o3)cc2)C1 FC(F)(F)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(cc1)[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(C(F)(F)F)cc4)o3)cc2)C1 FC(F)(F)c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1cccc(c1)NS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(C)N(C)C(=O)CSCc1cc(=O)n2ccsc2n1 CC(C)[*:1] CN(C(=O)CSCc1cc(=O)n2ccsc2n1)[*:1]
CC1CCN(C(=O)c2ccccc2NC(=O)[C@H](C)c2ccsc2)CC1 c1cc(cs1)[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=O)[C@H](C)[*:1]
CCCNC(=O)N[C@@H]1CC[NH2+]C1 CCC[*:1] O=C(N[C@@H]1CC[NH2+]C1)N[*:1]
O=C([O-])c1ccc(N/C=C\C(=O)c2ccco2)cc1 O=C([O-])[*:1] O=C(/C=C\Nc1ccc(cc1)[*:1])c1ccco1
O=C([O-])c1ccc(N/C=C\C(=O)c2ccco2)cc1 c1coc(c1)[*:1] O=C([O-])c1ccc(cc1)N/C=C\C(=O)[*:1]
Cc1nn(C)c(N[C@H](C)c2ccc(C#N)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)c(N[C@H](C)c2ccc(C#N)cc2)c1[*:1]
CC1=C2C(=O)N=C([C@@H](C)Oc3cc(F)ccc3[N+](=O)[O-])N=C2S[C@H]1C O=[N+]([O-])[*:1] CC1=C2C(=O)N=C(N=C2S[C@H]1C)[C@@H](C)Oc1cc(F)ccc1[*:1]
CC(C)CN(C)C(=O)c1cc2ccccc2c(Cl)n1 CC(C)C[*:1] CN(C(=O)c1cc2ccccc2c(Cl)n1)[*:1]
CC(C)CN(C)C(=O)c1cc2ccccc2c(Cl)n1 CC(C)[*:1] CN(C[*:1])C(=O)c1cc2ccccc2c(Cl)n1
NC(=O)c1ccc(N2CCN(Cc3cnc(-c4cccnc4)s3)CC2)cc1 NC(=O)[*:1] c1cncc(c1)-c1ncc(CN2CCN(CC2)c2ccc(cc2)[*:1])s1
NC(=O)c1ccc(N2CCN(Cc3cnc(-c4cccnc4)s3)CC2)cc1 c1cncc(c1)[*:1] NC(=O)c1ccc(cc1)N1CCN(CC1)Cc1cnc(s1)[*:1]
NC(=O)c1ccc(N2CCN(Cc3cnc(-c4cccnc4)s3)CC2)cc1 NC(=O)c1ccc(cc1)[*:1] c1cncc(c1)-c1ncc(CN2CCN(CC2)[*:1])s1
CCn1cnnc1CNC(=O)CCCn1ccc2cc(Cl)ccc21 CCn1cnnc1[*:1] O=C(CCCn1ccc2cc(Cl)ccc21)NC[*:1]
CCn1cnnc1CNC(=O)CCCn1ccc2cc(Cl)ccc21 CCn1cnnc1C[*:1] O=C(CCCn1ccc2cc(Cl)ccc21)N[*:1]
C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N(CCO)C3CC3)c2)C1 OCC[*:1] C[C@@H]1CCC[C@@H](C1)OCc1cccc(c1)NC(=O)N(C1CC1)[*:1]
C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N(CCO)C3CC3)c2)C1 C1CC1[*:1] C[C@@H]1CCC[C@@H](C1)OCc1cccc(c1)NC(=O)N(CCO)[*:1]
C=CCn1/c(=N\C(=O)c2cccc(S(=O)(=O)CC)c2)sc2cc(C)ccc21 CCS(=O)(=O)[*:1] C=CCn1/c(=N\C(=O)c2cccc(c2)[*:1])sc2cc(C)ccc21
C=CCn1/c(=N\C(=O)c2cccc(S(=O)(=O)CC)c2)sc2cc(C)ccc21 C=CC[*:1] CCS(=O)(=O)c1cccc(c1)C(=O)/N=c1/sc2cc(C)ccc2n1[*:1]
CC[C@H](C)NC(=O)COc1ccc([C@@H](C)[NH2+]C)cc1 CC[C@H](C)[*:1] C[NH2+][C@H](C)c1ccc(cc1)OCC(=O)N[*:1]
O=C(NC[C@@]1(O)CCSC1)c1ccc(OCC(F)(F)F)nc1 FC(F)(F)C[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(nc1)O[*:1]
O=C(NC[C@@]1(O)CCSC1)c1ccc(OCC(F)(F)F)nc1 FC(F)(F)[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(nc1)OC[*:1]
O=C(NC[C@@]1(O)CCSC1)c1ccc(OCC(F)(F)F)nc1 FC(F)(F)CO[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(nc1)[*:1]
CC[NH+](CC)[C@H](C)CNC(=O)N1CCCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CC[NH+](CC)[C@H](C)CNC(=O)N1CCCN(CC1)C(=O)[*:1]
CNC(=O)c1cc(Cl)ccc1NCC(=O)NCc1ccc(C)c(F)c1 CNC(=O)[*:1] Cc1ccc(cc1F)CNC(=O)CNc1ccc(Cl)cc1[*:1]
CNC(=O)c1cc(Cl)ccc1NCC(=O)NCc1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CNC(=O)c1cc(Cl)ccc1NCC(=O)NC[*:1]
CCC[C@@H](C[NH3+])[C@@]1(O)C[C@H](C)CC[C@@H]1C(C)C CC(C)[*:1] CCC[C@@H](C[NH3+])[C@@]1(O)C[C@H](C)CC[C@H]1[*:1]
CCC[C@@H](C[NH3+])[C@@]1(O)C[C@H](C)CC[C@@H]1C(C)C CCC[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@]1(O)[C@H](C[NH3+])[*:1]
O=C(Cc1ccc2c(c1)CCCC2)NCC1(O)CCSCC1 OC1(CCSCC1)[*:1] O=C(Cc1ccc2CCCCc2c1)NC[*:1]
COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c1c(C1CC1)nn2C COC(=O)[*:1] Cn1nc(c2c(cc(nc21)-c1ccc(Cl)cc1Cl)[*:1])C1CC1
COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c1c(C1CC1)nn2C Clc1ccc(c(Cl)c1)[*:1] COC(=O)c1cc(nc2c1c(nn2C)C1CC1)[*:1]
COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c1c(C1CC1)nn2C C1CC1[*:1] COC(=O)c1cc(nc2c1c(nn2C)[*:1])-c1ccc(Cl)cc1Cl
CC(C)CC1(CNC(=O)NCc2ccc([S@@](C)=O)cc2)CCCC1 CC(C)C[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)NCC1(CCCC1)[*:1]
CC(C)CC1(CNC(=O)NCc2ccc([S@@](C)=O)cc2)CCCC1 CC(C)[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)NCC1(CCCC1)C[*:1]
COc1ccc(C2=C[C@H]([C@H]3Nn4c(nnc4-c4ccccc4)S3)N=N2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1=C[C@@H](N=N1)[C@H]1Nn2c(nnc2[*:1])S1
COc1ccc(C2=C[C@H]([C@H]3Nn4c(nnc4-c4ccccc4)S3)N=N2)cc1 COc1ccc(cc1)[*:1] C1=C(N=N[C@H]1[C@H]1Nn2c(nnc2-c2ccccc2)S1)[*:1]
Cc1cccc(C(=O)NCC(=O)NCCc2ccc(F)cc2C)c1 Cc1cc(F)ccc1[*:1] Cc1cccc(c1)C(=O)NCC(=O)NCC[*:1]
Cc1cccc(C(=O)NCC(=O)NCCc2ccc(F)cc2C)c1 Cc1cccc(c1)[*:1] Cc1cc(F)ccc1CCNC(=O)CNC(=O)[*:1]
Cc1cccc([C@H](C)[S@](=O)Cc2nc(-c3cccs3)oc2C)c1 Cc1cccc(c1)[*:1] Cc1oc(nc1C[S@@](=O)[C@@H](C)[*:1])-c1cccs1
Cc1cccc([C@H](C)[S@](=O)Cc2nc(-c3cccs3)oc2C)c1 c1csc(c1)[*:1] Cc1cccc(c1)[C@H](C)[S@](=O)Cc1nc(oc1C)[*:1]
CC[C@](C)(C[NH3+])[C@H](O)c1cccc(OC(C)C)c1 CC(C)O[*:1] CC[C@](C)(C[NH3+])[C@H](O)c1cccc(c1)[*:1]
CC[C@](C)(C[NH3+])[C@H](O)c1cccc(OC(C)C)c1 CC(C)[*:1] CC[C@](C)(C[NH3+])[C@H](O)c1cccc(c1)O[*:1]
CCOC(=O)[C@@H]1[NH+]=c2c(C)cccc2=C1c1ccccc1 CCOC(=O)[*:1] Cc1cccc2=C(c3ccccc3)[C@@H]([NH+]=c12)[*:1]
CCOC(=O)[C@@H]1[NH+]=c2c(C)cccc2=C1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1[NH+]=c2c(C)cccc2=C1[*:1]
CN1CCN(C(=O)c2ccc(-n3cncn3)nc2)[C@@H](c2ccccc2)C1 c1ncn(n1)[*:1] CN1CCN(C(=O)c2ccc(nc2)[*:1])[C@H](C1)c1ccccc1
CN1CCN(C(=O)c2ccc(-n3cncn3)nc2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)c2ccc(nc2)-n2cncn2)[C@@H](C1)[*:1]
CC[C@H](C)NC(=S)Nc1cccc(Cl)c1 CC[C@H](C)[*:1] S=C(Nc1cccc(Cl)c1)N[*:1]
Cc1cccc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1 CC(C)(C)[*:1] Cc1cccc(n1)NC(=O)[C@@H](C)NC(=O)O[*:1]
O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1)N1CCCC1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)c1cc(nc2ccccc12)[*:1])N1CCCC1
O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(c1cc(nc2ccccc12)-c1ccccc1)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(c1cc(nc2ccccc12)-c1ccccc1)N1CCN(CC1)C[*:1]
Cc1ccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c(O)c1 Cc1ccc(cc1C)[*:1] Cc1ccc(NC(=O)CCc2ncc(o2)[*:1])c(O)c1
Cc1ccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c(O)c1 Cc1ccc(c(O)c1)[*:1] Cc1ccc(cc1C)-c1cnc(CCC(=O)N[*:1])o1
COC(=O)C[C@H](NC(=O)[C@H](O)c1ccccc1)c1cccs1 COC(=O)[*:1] O=C(N[C@@H](C[*:1])c1cccs1)[C@H](O)c1ccccc1
COC(=O)C[C@H](NC(=O)[C@H](O)c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] COC(=O)C[C@H](NC(=O)[C@H](O)[*:1])c1cccs1
COC(=O)C[C@H](NC(=O)[C@H](O)c1ccccc1)c1cccs1 COC(=O)C[*:1] O=C(N[C@H](c1cccs1)[*:1])[C@H](O)c1ccccc1
COC(=O)C[C@H](NC(=O)[C@H](O)c1ccccc1)c1cccs1 c1csc(c1)[*:1] COC(=O)C[C@H](NC(=O)[C@H](O)c1ccccc1)[*:1]
N#Cc1ccc(C(=O)N(c2ccc(C#N)cc2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)C(=O)N(c1ccc(C#N)cc1)[*:1]
CC[C@@H](Nc1cccc(C(=O)OC)n1)c1ccc(F)cc1F COC(=O)[*:1] CC[C@@H](Nc1cccc(n1)[*:1])c1ccc(F)cc1F
Cc1c(C(=O)OCc2nc3ccccc3o2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)OCc1nc2ccccc2o1
Cc1cc[nH+]c(NCC2(CC(C)C)CCCC2)c1N CC(C)C[*:1] Cc1cc[nH+]c(NCC2(CCCC2)[*:1])c1N
Cc1cc[nH+]c(NCC2(CC(C)C)CCCC2)c1N CC(C)[*:1] Cc1cc[nH+]c(NCC2(CCCC2)C[*:1])c1N
CCCCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccccn1 CCCCOC(=O)[*:1] CC1N=C2CC(C)(C)CC(=O)[C@@H]2[C@H](C=1[*:1])c1ccccn1
CCCCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccccn1 c1ccc(nc1)[*:1] CCCCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1[*:1]
CCCCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccccn1 CCCC[*:1] CC1N=C2CC(C)(C)CC(=O)[C@@H]2[C@H](C=1C(=O)O[*:1])c1ccccn1
CCCCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccccn1 CCC[*:1] CC1N=C2CC(C)(C)CC(=O)[C@@H]2[C@H](C=1C(=O)OC[*:1])c1ccccn1
Cc1ccc(/C=c2\s/c(=C(\C#N)C(=O)C(C)(C)C)n(C3CC3)c2=O)o1 Cc1ccc(o1)[*:1] CC(C)(C)C(=O)/C(C#N)=c1/sc(=C[*:1])c(=O)n1C1CC1
Cc1ccc(/C=c2\s/c(=C(\C#N)C(=O)C(C)(C)C)n(C3CC3)c2=O)o1 CC(C)(C)[*:1] Cc1ccc(/C=c2\s/c(=C(\C#N)C(=O)[*:1])n(c2=O)C2CC2)o1
Cc1ccc(/C=c2\s/c(=C(\C#N)C(=O)C(C)(C)C)n(C3CC3)c2=O)o1 CC(C)(C)C(=O)[*:1] Cc1ccc(/C=c2\sc(=C(C#N)[*:1])n(c2=O)C2CC2)o1
Cc1ccc(/C=c2\s/c(=C(\C#N)C(=O)C(C)(C)C)n(C3CC3)c2=O)o1 C1CC1[*:1] Cc1ccc(/C=c2\s/c(=C(\C#N)C(=O)C(C)(C)C)n(c2=O)[*:1])o1
CN(C)C(=O)Oc1ccc(C2CCCCC2)cc1 C1CCC(CC1)[*:1] CN(C)C(=O)Oc1ccc(cc1)[*:1]
CN(C)C(=O)Oc1ccc(C2CCCCC2)cc1 CN(C)C(=O)O[*:1] c1cc(ccc1C1CCCCC1)[*:1]
COC(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2cccn2C)nc1 COC(=O)[*:1] Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(cn1)[*:1]
COC(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2cccn2C)nc1 Cn1cccc1[*:1] COC(=O)c1ccc(nc1)C(=O)N1CCCCC[C@@H]1[*:1]
O=C(Cc1ccc(Cl)cc1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cc1ccc(Cl)cc1)N[*:1]
CCOc1ccc(-c2nc(SCC(=O)Nc3cc(C)cc(C)c3)n3[nH]c(=O)cc3n2)cc1 CCOc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nc(nc2cc(=O)[nH]n12)[*:1]
CCOc1ccc(-c2nc(SCC(=O)Nc3cc(C)cc(C)c3)n3[nH]c(=O)cc3n2)cc1 CCO[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nc(nc2cc(=O)[nH]n12)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(SCC(=O)Nc3cc(C)cc(C)c3)n3[nH]c(=O)cc3n2)cc1 Cc1cc(C)cc(c1)[*:1] CCOc1ccc(cc1)-c1nc(SCC(=O)N[*:1])n2[nH]c(=O)cc2n1
CCN1CCN(c2nc(NC[C@@H]3CCCO3)c3ccccc3[nH+]2)CC1 C1CO[C@@H](C1)CN[*:1] CCN1CCN(CC1)c1nc(c2ccccc2[nH+]1)[*:1]
CCN1CCN(c2nc(NC[C@@H]3CCCO3)c3ccccc3[nH+]2)CC1 C1CO[C@@H](C1)[*:1] CCN1CCN(CC1)c1nc(NC[*:1])c2ccccc2[nH+]1
CCN1CCN(c2nc(NC[C@@H]3CCCO3)c3ccccc3[nH+]2)CC1 C1CO[C@@H](C1)C[*:1] CCN1CCN(CC1)c1nc(N[*:1])c2ccccc2[nH+]1
CCN1CCN(c2nc(NC[C@@H]3CCCO3)c3ccccc3[nH+]2)CC1 CCN1CCN(CC1)[*:1] c1ccc2c(nc([nH+]c2c1)[*:1])NC[C@@H]1CCCO1
COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csnn3)CC2)c1 COc1cccc(c1)[*:1] O=C(c1csnn1)N1CCC(CC1)[C@H]1CCCCN1C(=O)[*:1]
COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csnn3)CC2)c1 c1snnc1[*:1] COc1cccc(c1)C(=O)N1CCCC[C@@H]1C1CCN(CC1)C(=O)[*:1]
CCC[C@H](C)N(C)C(=O)c1ccc(Br)cc1N CCC[*:1] C[C@H](N(C)C(=O)c1ccc(Br)cc1N)[*:1]
CCC[C@H](C)N(C)C(=O)c1ccc(Br)cc1N CCC[C@H](C)[*:1] CN(C(=O)c1ccc(Br)cc1N)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCC(C)C CC(C)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCC(C)C CC(C)CC[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCC(C)C CC(C)C[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCC(C)C CC[S@](=O)[*:1] CC(C)CCN(C)C(=O)N[C@H]1CCCC[C@H]1[*:1]
C[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1Cl c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCc1nc(no1)[*:1])c1ccccc1Cl
C[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)CCc1nc(no1)-c1ccccc1)[*:1]
Cc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)Nc1ccccc1F
Cc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c1 Fc1ccccc1[*:1] Cc1cccc(c1)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccc(OC)c2[nH]c(C(=O)N[C@H](C)C(=O)Nc3nc(C)cs3)cc12 Cc1csc(n1)NC(=O)[*:1] COc1ccc(OC)c2[nH]c(cc12)C(=O)N[C@H](C)[*:1]
COc1ccc(OC)c2[nH]c(C(=O)N[C@H](C)C(=O)Nc3nc(C)cs3)cc12 Cc1csc(n1)[*:1] COc1ccc(OC)c2[nH]c(cc12)C(=O)N[C@H](C)C(=O)N[*:1]
C=CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 C=CC[*:1] CN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
C=CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C=CCN(C)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(Cl)cc2sc(N(CCC[NH+](C)C)C(=O)c3cccc([N+](=O)[O-])c3)nc12 O=[N+]([O-])[*:1] Cc1cc(Cl)cc2sc(nc12)N(CCC[NH+](C)C)C(=O)c1cccc(c1)[*:1]
Cc1cc(Cl)cc2sc(N(CCC[NH+](C)C)C(=O)c3cccc([N+](=O)[O-])c3)nc12 O=[N+]([O-])c1cccc(c1)[*:1] Cc1cc(Cl)cc2sc(nc12)N(CCC[NH+](C)C)C(=O)[*:1]
CC[C@@H](C)N[C@@H]1CCCCC[C@@H]1[NH3+] CC[C@@H](C)[*:1] [NH3+][C@H]1CCCCC[C@H]1N[*:1]
O=C(CCn1cnc2sccc2c1=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 Clc1cc(c(Cl)s1)[*:1] O=C(CCn1cnc2sccc2c1=O)Nc1nc(cs1)[*:1]
CC(C)c1cc(C(=O)Nc2cccc(OCC(F)(F)F)c2)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)Nc1cccc(c1)OCC(F)(F)F
CC(C)c1cc(C(=O)Nc2cccc(OCC(F)(F)F)c2)nn1C FC(F)(F)C[*:1] CC(C)c1cc(nn1C)C(=O)Nc1cccc(c1)O[*:1]
CC(C)c1cc(C(=O)Nc2cccc(OCC(F)(F)F)c2)nn1C FC(F)(F)[*:1] CC(C)c1cc(nn1C)C(=O)Nc1cccc(c1)OC[*:1]
CC(C)c1cc(C(=O)Nc2cccc(OCC(F)(F)F)c2)nn1C FC(F)(F)CO[*:1] CC(C)c1cc(nn1C)C(=O)Nc1cccc(c1)[*:1]
S=C(Nc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3s2)CC1 Clc1ccc(cc1)[*:1] S=C(N[*:1])N1CCC(CC1)c1nc2ccccc2s1
Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cncn3)cc1)CCS2 c1ncn(n1)[*:1] Fc1ccc2SCC[C@@H]([NH2+]Cc3ccc(cc3)[*:1])c2c1
CCN(Cc1cccc(C)c1)C(=O)CC[C@@H](C)O C[C@@H](O)[*:1] CCN(Cc1cccc(C)c1)C(=O)CC[*:1]
CCN(Cc1cccc(C)c1)C(=O)CC[C@@H](C)O C[C@@H](O)CC[*:1] CCN(Cc1cccc(C)c1)C(=O)[*:1]
CCN(Cc1cccc(C)c1)C(=O)CC[C@@H](C)O C[C@@H](O)C[*:1] CCN(Cc1cccc(C)c1)C(=O)C[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@H](C)C(N)=O NC(=O)[*:1] Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@H](C)[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@H](C)C(N)=O CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CC(=O)O[C@H](C)C(N)=O
Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@H](C)C(N)=O CC(C)C[*:1] Cc1nn(c(C)c1CC(=O)O[C@H](C)C(N)=O)[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)O[C@H](C)C(N)=O C[C@H](C(N)=O)[*:1] Cc1nn(CC(C)C)c(C)c1CC(=O)O[*:1]
COc1cc(C#N)ccc1OC(=O)COC1CCCCC1 C1CCC(CC1)O[*:1] COc1cc(C#N)ccc1OC(=O)C[*:1]
COc1cc(C#N)ccc1OC(=O)COC1CCCCC1 C1CCC(CC1)[*:1] COc1cc(C#N)ccc1OC(=O)CO[*:1]
CCCS(=O)(=O)/N=C(\[O-])c1ccc(C)cc1F CCC[*:1] Cc1ccc(/C([O-])=N/S(=O)(=O)[*:1])c(F)c1
COc1cc(CN2CCC[C@@H]2c2nncn2C)c([N+](=O)[O-])cc1O Cn1cnnc1[*:1] COc1cc(CN2CCC[C@H]2[*:1])c(cc1O)[N+](=O)[O-]
COc1cc(CN2CCC[C@@H]2c2nncn2C)c([N+](=O)[O-])cc1O O=[N+]([O-])[*:1] COc1cc(CN2CCC[C@@H]2c2nncn2C)c(cc1O)[*:1]
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-n4cccn4)cc3)sc2c1 CS(=O)(=O)[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1ccc(cc1)-n1cccn1
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-n4cccn4)cc3)sc2c1 c1cnn(c1)[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(cc3)[*:1])sc2c1
O=C(c1scnc1C1CC1)N(Cc1ccco1)Cc1ccco1 c1coc(c1)C[*:1] O=C(c1scnc1C1CC1)N(Cc1ccco1)[*:1]
O=C(c1scnc1C1CC1)N(Cc1ccco1)Cc1ccco1 C1CC1[*:1] O=C(c1scnc1[*:1])N(Cc1ccco1)Cc1ccco1
O=C(c1scnc1C1CC1)N(Cc1ccco1)Cc1ccco1 c1coc(c1)[*:1] O=C(c1scnc1C1CC1)N(Cc1ccco1)C[*:1]
O=C([O-])c1coc2c1/C(=N\Nc1ccccc1)CCC2 c1ccc(cc1)[*:1] O=C([O-])c1coc2CCC/C(=N/N[*:1])c12
O=C([O-])c1coc2c1/C(=N\Nc1ccccc1)CCC2 O=C([O-])[*:1] c1ccc(cc1)N/N=C1/CCCc2occ(c21)[*:1]
CCSCC[C@@H](C)N(C)C(=O)c1ccc(=O)n(C)n1 CCSCC[*:1] C[C@@H](N(C)C(=O)c1ccc(=O)n(C)n1)[*:1]
CCSCC[C@@H](C)N(C)C(=O)c1ccc(=O)n(C)n1 CCSC[*:1] C[C@H](C[*:1])N(C)C(=O)c1ccc(=O)n(C)n1
CCSCC[C@@H](C)N(C)C(=O)c1ccc(=O)n(C)n1 CCS[*:1] C[C@H](CC[*:1])N(C)C(=O)c1ccc(=O)n(C)n1
Cc1nn(C)c(Cl)c1S(=O)(=O)N1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 Cc1nn(C)c(Cl)c1[*:1] O=S(=O)(N1[C@H]2CC[C@@H]1c1cnc(nc1C2)N1CCOCC1)[*:1]
Cc1nn(C)c(Cl)c1S(=O)(=O)N1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 C1CN(CCO1)[*:1] Cc1nn(C)c(Cl)c1S(=O)(=O)N1[C@H]2CC[C@@H]1c1cnc(nc1C2)[*:1]
O=C(NCc1ccccc1Cl)Nc1ccc(C(=O)NC2CCCC2)cc1 Clc1ccccc1C[*:1] O=C(Nc1ccc(cc1)C(=O)NC1CCCC1)N[*:1]
O=C(NCc1ccccc1Cl)Nc1ccc(C(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] O=C(NCc1ccccc1Cl)Nc1ccc(cc1)C(=O)N[*:1]
O=C(NCc1ccccc1Cl)Nc1ccc(C(=O)NC2CCCC2)cc1 O=C(NC1CCCC1)[*:1] O=C(NCc1ccccc1Cl)Nc1ccc(cc1)[*:1]
O=C(NCc1ccccc1Cl)Nc1ccc(C(=O)NC2CCCC2)cc1 Clc1ccccc1[*:1] O=C(NC[*:1])Nc1ccc(cc1)C(=O)NC1CCCC1
CCOC(=O)[C@H]1[C@H](c2ccccc2)N1Cc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1[C@H](c2ccccc2)N1C[*:1]
CCOC(=O)[C@H]1[C@H](c2ccccc2)N1Cc1ccccc1 CCOC(=O)[*:1] c1ccc(cc1)CN1[C@@H](c2ccccc2)[C@@H]1[*:1]
CCOC(=O)[C@H]1[C@H](c2ccccc2)N1Cc1ccccc1 c1ccc(cc1)C[*:1] CCOC(=O)[C@H]1[C@H](c2ccccc2)N1[*:1]
CCOC(=O)[C@H]1[C@H](c2ccccc2)N1Cc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1[C@H](N1Cc1ccccc1)[*:1]
COCCCNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O COC[*:1] O=C(NCC[*:1])N[C@H]1CCN(C1=O)c1c(F)cccc1F
COCCCNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O COCC[*:1] O=C(NC[*:1])N[C@H]1CCN(C1=O)c1c(F)cccc1F
COCCCNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O COCCC[*:1] O=C(N[C@H]1CCN(C1=O)c1c(F)cccc1F)N[*:1]
C[C@H](CNC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(/C=C/c1cc(cc2COCOc12)[N+](=O)[O-])NC[*:1]
C[C@H](CNC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 C[C@H](C[*:1])c1ccccc1 O=C(/C=C/c1cc(cc2COCOc12)[N+](=O)[O-])N[*:1]
C[C@H](CNC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)/C=C/c1cc(cc2COCOc12)[N+](=O)[O-])[*:1]
C[C@H](CNC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 O=[N+]([O-])[*:1] C[C@H](CNC(=O)/C=C/c1cc(cc2COCOc12)[*:1])c1ccccc1
Cc1ccc([C@@H](CNC(=O)Nc2nccs2)N2CCOCC2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])Nc1nccs1
Cc1ccc([C@@H](CNC(=O)Nc2nccs2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)Nc1nccs1)[*:1]
Cc1ccc([C@@H](CNC(=O)Nc2nccs2)N2CCOCC2)o1 c1csc(n1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)N[*:1])N1CCOCC1
O=C1C(=O)N(C2CCCCC2)C(=O)N1CCOc1ccc(Cl)cc1Cl C1CCC(CC1)[*:1] O=C1C(=O)N(C(=O)N1CCOc1ccc(Cl)cc1Cl)[*:1]
O=C1C(=O)N(C2CCCCC2)C(=O)N1CCOc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C1C(=O)N(C(=O)N1CCO[*:1])C1CCCCC1
Cn1c(=O)c2ccccc2n2c(CNc3cccc(Br)c3)nnc12 Brc1cccc(c1)N[*:1] Cn1c(=O)c2ccccc2n2c(C[*:1])nnc12
Cn1c(=O)c2ccccc2n2c(CNc3cccc(Br)c3)nnc12 Brc1cccc(c1)[*:1] Cn1c(=O)c2ccccc2n2c(CN[*:1])nnc12
Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])o1 O=C([O-])CC[*:1] Cc1ccc(o1)[C@H]1CC(=NN1C(=O)[*:1])c1cccs1
Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])o1 O=C([O-])[*:1] Cc1ccc(o1)[C@H]1CC(=NN1C(=O)CC[*:1])c1cccs1
Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])o1 c1csc(c1)[*:1] Cc1ccc(o1)[C@H]1CC(=NN1C(=O)CCC(=O)[O-])[*:1]
Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])o1 O=C([O-])C[*:1] Cc1ccc(o1)[C@H]1CC(=NN1C(=O)C[*:1])c1cccs1
Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])o1 Cc1ccc(o1)[*:1] O=C([O-])CCC(=O)N1N=C(C[C@@H]1[*:1])c1cccs1
O=C(C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(C1CC[NH+](CC1)Cc1nc(no1)[*:1])N1CCCCCC1
O=C(C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] c1ccc(cc1)-c1noc(C[NH+]2CCC(CC2)[*:1])n1
CCOc1ccc(N)c(S[C@@H]2CCCNC(=O)C2)c1 CCO[*:1] Nc1ccc(cc1S[C@@H]1CCCNC(=O)C1)[*:1]
CC[C@@H](Nc1ncc(C)c(-c2cnn(C)c2)n1)[C@@H]1[NH+]=c2ccc(C)cc2=[NH+]1 Cn1cc(cn1)[*:1] CC[C@@H](Nc1ncc(C)c(n1)[*:1])[C@@H]1[NH+]=c2ccc(C)cc2=[NH+]1
COC(=O)c1ccc(NC(=O)c2ccc(OCc3nc(C)cs3)cc2)cc1 COC(=O)[*:1] Cc1csc(COc2ccc(cc2)C(=O)Nc2ccc(cc2)[*:1])n1
COC(=O)c1ccc(NC(=O)c2ccc(OCc3nc(C)cs3)cc2)cc1 Cc1csc(CO[*:1])n1 COC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)c2ccc(OCc3nc(C)cs3)cc2)cc1 Cc1csc(C[*:1])n1 COC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)O[*:1]
COC(=O)c1ccc(NC(=O)c2ccc(OCc3nc(C)cs3)cc2)cc1 Cc1csc(n1)[*:1] COC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)OC[*:1]
CCCNC(=O)NNc1cccc(Cl)c1C CCC[*:1] Cc1c(Cl)cccc1NNC(=O)N[*:1]
COc1cccc(/C=C/C(=O)Nc2nc(C3CC3)cs2)c1 C1CC1[*:1] COc1cccc(/C=C/C(=O)Nc2nc(cs2)[*:1])c1
CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1CCO[C@H]1C CC(=O)N[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Br)ccc1[*:1]
CC(C)C[NH+]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 CC(C)[*:1] O=C1NC(=O)[C@H](CCC(=O)N2CC[NH+](CC2)C[*:1])N1
CC(C)C[NH+]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 O=C1NC(=O)[C@@H](N1)[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)CC[*:1]
CC(C)C[NH+]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 CC(C)C[*:1] O=C1NC(=O)[C@H](CCC(=O)N2CC[NH+](CC2)[*:1])N1
Cn1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cn1 Cn1cc(cn1)[*:1] O=C(NCc1ccc(o1)-c1nc2ccccc2s1)[*:1]
O=C(N1CCC[C@@H](O)C1)C1(c2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)[*:1] O=C(N1CCC[C@@H](O)C1)C1(CCCC1)[*:1]
Cc1ccc2c(COC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2c1 O=[N+]([O-])[*:1] Cc1ccc2c(cc(=O)oc2c1)COC(=O)c1ccc(C)c(c1)[*:1]
Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)c1 Cc1cc(C)cc(c1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)c1 Cn1cnc(c1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
C[C@H](CCl)CS(=O)(=O)[N-]c1ccccc1[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CCl)CS(=O)(=O)[N-]c1ccccc1[*:1]
C[C@H](CCl)CS(=O)(=O)[N-]c1ccccc1[C@@H](C)O C[C@H](CCl)[*:1] C[C@@H](O)c1ccccc1[N-]S(=O)(=O)C[*:1]
CC(C)CS(=O)(=O)CCC(=O)N1CCCc2cc(Cl)cc(F)c21 CC(C)C[*:1] O=C(CCS(=O)(=O)[*:1])N1CCCc2cc(Cl)cc(F)c21
CC(C)CS(=O)(=O)CCC(=O)N1CCCc2cc(Cl)cc(F)c21 CC(C)CS(=O)(=O)[*:1] O=C(CC[*:1])N1CCCc2cc(Cl)cc(F)c21
CC(C)CS(=O)(=O)CCC(=O)N1CCCc2cc(Cl)cc(F)c21 CC(C)[*:1] O=C(CCS(=O)(=O)C[*:1])N1CCCc2cc(Cl)cc(F)c21
c1cncc(CCNc2ncnc3c2CCC3)c1 c1cncc(c1)[*:1] c1nc2CCCc2c(n1)NCC[*:1]
COC(=O)C[C@H](NC(=O)c1cccc(NC(C)=O)c1)c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)C[C@H](NC(=O)c1cccc(c1)NC(C)=O)[*:1]
COC(=O)C[C@H](NC(=O)c1cccc(NC(C)=O)c1)c1ccccc1Cl CC(=O)N[*:1] COC(=O)C[C@H](NC(=O)c1cccc(c1)[*:1])c1ccccc1Cl
COC(=O)C[C@H](NC(=O)c1cccc(NC(C)=O)c1)c1ccccc1Cl COC(=O)C[*:1] CC(=O)Nc1cccc(c1)C(=O)N[C@H](c1ccccc1Cl)[*:1]
COC(=O)C[C@H](NC(=O)c1cccc(NC(C)=O)c1)c1ccccc1Cl COC(=O)[*:1] CC(=O)Nc1cccc(c1)C(=O)N[C@@H](C[*:1])c1ccccc1Cl
CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(F)ccc1OC CCS[*:1] COc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1[*:1]
O=C1C[C@@H](Nc2ncnc3sccc23)CN1Cc1ccccc1Cl Clc1ccccc1C[*:1] O=C1C[C@H](CN1[*:1])Nc1ncnc2sccc12
O=C1C[C@@H](Nc2ncnc3sccc23)CN1Cc1ccccc1Cl Clc1ccccc1[*:1] O=C1C[C@H](CN1C[*:1])Nc1ncnc2sccc12
O=C(Nc1cccc(OCc2ccccn2)c1)c1cc(-c2cccnc2)on1 c1ccc(nc1)[*:1] O=C(Nc1cccc(c1)OC[*:1])c1cc(on1)-c1cccnc1
O=C(Nc1cccc(OCc2ccccn2)c1)c1cc(-c2cccnc2)on1 c1ccc(CO[*:1])nc1 O=C(Nc1cccc(c1)[*:1])c1cc(on1)-c1cccnc1
O=C(Nc1cccc(OCc2ccccn2)c1)c1cc(-c2cccnc2)on1 c1cncc(c1)[*:1] O=C(Nc1cccc(c1)OCc1ccccn1)c1cc(on1)[*:1]
O=C(Nc1cccc(OCc2ccccn2)c1)c1cc(-c2cccnc2)on1 c1ccc(C[*:1])nc1 O=C(Nc1cccc(c1)O[*:1])c1cc(on1)-c1cccnc1
CCC(CC)(CO)CNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 CCC(CC)(CO)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)NC[*:1]
COc1cccc(CSCc2csc(NC(C)=O)n2)c1 CC(=O)N[*:1] COc1cccc(c1)CSCc1csc(n1)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N(C)CCN1CCOC1=O O=C1OCCN1[*:1] C[C@@H]1OCC[C@H]1C(=O)N(C)CC[*:1]
CC(=O)Nc1ccc(C#CC2(NC(=O)C3CCCC3)CCCCC2)cn1 CC(=O)N[*:1] O=C(NC1(C#Cc2ccc(nc2)[*:1])CCCCC1)C1CCCC1
CC(=O)Nc1ccc(C#CC2(NC(=O)C3CCCC3)CCCCC2)cn1 O=C(N[*:1])C1CCCC1 CC(=O)Nc1ccc(C#CC2(CCCCC2)[*:1])cn1
CC(=O)Nc1ccc(C#CC2(NC(=O)C3CCCC3)CCCCC2)cn1 C1CCC(C1)[*:1] CC(=O)Nc1ccc(C#CC2(CCCCC2)NC(=O)[*:1])cn1
CS(=O)(=O)Cc1nc(CN2CC=C(c3cccs3)CC2)cs1 CS(=O)(=O)[*:1] C1CN(CCC=1c1cccs1)Cc1csc(C[*:1])n1
CS(=O)(=O)Cc1nc(CN2CC=C(c3cccs3)CC2)cs1 c1csc(c1)[*:1] CS(=O)(=O)Cc1nc(cs1)CN1CC=C(CC1)[*:1]
CS(=O)(=O)Cc1nc(CN2CC=C(c3cccs3)CC2)cs1 CS(=O)(=O)C[*:1] C1CN(CCC=1c1cccs1)Cc1csc(n1)[*:1]
Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)c12 Fc1ccccc1[*:1] Cc1noc2nc(cc(C(=O)N3CCC[C@H]3c3ccc4OCCOc4c3)c12)[*:1]
Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)c12 c1cc2OCCOc2cc1[*:1] Cc1noc2nc(cc(C(=O)N3CCC[C@@H]3[*:1])c12)-c1ccccc1F
Cc1cc(C(=O)Nc2ccccc2)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])C(=O)Nc1ccccc1
Cc1cc(C(=O)Nc2ccccc2)ccc1-n1cnnn1 c1ccc(cc1)[*:1] Cc1cc(ccc1-n1cnnn1)C(=O)N[*:1]
CCCC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(C(C)(C)C)C1 Clc1ccc(cc1)[*:1] CCCC1C[C@@](O)(N(N=1)C(=O)[*:1])C(C)(C)C
CCCC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(C(C)(C)C)C1 CCC[*:1] CC(C)(C)[C@@]1(O)CC(=NN1C(=O)c1ccc(Cl)cc1)[*:1]
CCCC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(C(C)(C)C)C1 CC(C)(C)[*:1] CCCC1C[C@](O)(N(N=1)C(=O)c1ccc(Cl)cc1)[*:1]
O=C(N[C@H](N1CC[NH+](Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O c1ccc(cc1)C[*:1] O=C(N[C@H](N1CC[NH+](CC1)[*:1])C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O
O=C(N[C@H](N1CC[NH+](Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O ClC(Cl)(Cl)[*:1] O=C(N[C@H](N1CC[NH+](CC1)Cc1ccccc1)[*:1])c1cc2ccccc2oc1=O
O=C(N[C@H](N1CC[NH+](Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O c1ccc(cc1)[*:1] O=C(N[C@H](N1CC[NH+](CC1)C[*:1])C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O
CCCC[C@@H]([NH3+])Cc1ccc(OC)c(Br)c1 CCCC[*:1] COc1ccc(cc1Br)C[C@H]([NH3+])[*:1]
CCCC[C@@H]([NH3+])Cc1ccc(OC)c(Br)c1 CCC[*:1] COc1ccc(cc1Br)C[C@H]([NH3+])C[*:1]
COCCCN1CNC2=N[C@@H](c3ccc(OC)cc3OC)n3c(nc4ccccc43)N2C1 COCCC[*:1] COc1ccc(c(c1)OC)[C@@H]1N=C2NCN(CN2c2nc3ccccc3n21)[*:1]
COCCCN1CNC2=N[C@@H](c3ccc(OC)cc3OC)n3c(nc4ccccc43)N2C1 COc1ccc(c(c1)OC)[*:1] COCCCN1CNC2=N[C@@H](n3c(nc4ccccc43)N2C1)[*:1]
COCCCN1CNC2=N[C@@H](c3ccc(OC)cc3OC)n3c(nc4ccccc43)N2C1 COCC[*:1] COc1ccc(c(c1)OC)[C@@H]1N=C2NCN(CN2c2nc3ccccc3n21)C[*:1]
COCCCN1CNC2=N[C@@H](c3ccc(OC)cc3OC)n3c(nc4ccccc43)N2C1 COC[*:1] COc1ccc(c(c1)OC)[C@@H]1N=C2NCN(CC[*:1])CN2c2nc3ccccc3n21
COCc1ccc(C[NH+]2CCNC(=O)C2(C)C)cc1 COC[*:1] CC1(C)C(=O)NCC[NH+]1Cc1ccc(cc1)[*:1]
C[C@](O)(CNC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNC(=O)C(=O)Nc1cnc2ccccc2c1)[*:1]
CCCCc1nnc(NC(=O)CCc2ccc(Cl)cc2)s1 CCCC[*:1] O=C(CCc1ccc(Cl)cc1)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)CCc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCCCc1nnc(NC(=O)CC[*:1])s1
CCCCc1nnc(NC(=O)CCc2ccc(Cl)cc2)s1 CCC[*:1] O=C(CCc1ccc(Cl)cc1)Nc1nnc(C[*:1])s1
C[C@@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CCCOc2c1ccc1ccccc21 C1CO[C@@H](C1)[*:1] C[C@@H](OC[*:1])C(=O)N[C@@H]1CCCOc2c1ccc1ccccc21
C[C@@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CCCOc2c1ccc1ccccc21 C1CO[C@@H](C1)CO[*:1] C[C@@H](C(=O)N[C@@H]1CCCOc2c1ccc1ccccc21)[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CCCOc2c1ccc1ccccc21 C1CO[C@@H](C1)C[*:1] C[C@@H](O[*:1])C(=O)N[C@@H]1CCCOc2c1ccc1ccccc21
Cc1cc(C)c(NC(=O)CNC(=O)NNC(=O)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)NNC(=O)[*:1])c(C)c1
C[NH+](C)[C@@H](CNC(=O)NNc1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)NN[*:1])c1ccc(F)cc1
C[NH+](C)[C@@H](CNC(=O)NNc1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)NNc1ccc(F)cc1)[*:1]
COc1cc(OC)c(-c2cnc(CNN(C)C)s2)cc1OC CN(C)NC[*:1] COc1cc(OC)c(cc1OC)-c1cnc(s1)[*:1]
COc1cc(OC)c(-c2cnc(CNN(C)C)s2)cc1OC CN(C)N[*:1] COc1cc(OC)c(cc1OC)-c1cnc(C[*:1])s1
CC(C)(C)c1nc(CSc2nnc([C@H]3COc4ccccc4O3)o2)no1 CC(C)(C)[*:1] c1ccc2O[C@H](COc2c1)c1nnc(o1)SCc1noc(n1)[*:1]
Cn1cc([C@@H]2CN(Cc3cccc4cn[nH]c34)CCO2)cn1 Cn1cc(cn1)[*:1] c1cc(CN2CCO[C@@H](C2)[*:1])c2[nH]ncc2c1
Cc1cccc(C)c1OCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 Cc1cccc(C)c1[*:1] O=C(CO[*:1])Nc1cccc(c1)C(=O)NC[C@H]1CCCO1
Cc1cccc(C)c1OCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 Cc1cccc(C)c1O[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)NC[C@H]1CCCO1
Cc1cccc(C)c1OCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 O=C(NC[C@H]1CCCO1)[*:1] Cc1cccc(C)c1OCC(=O)Nc1cccc(c1)[*:1]
C/C(=C\C(=O)OCc1ncc(Cl)n1C)c1ccccc1 c1ccc(cc1)[*:1] CC(=CC(=O)OCc1ncc(Cl)n1C)[*:1]
CCC(CC)c1nnc(NC(=O)CNC(=O)NC)s1 CCC(CC)[*:1] CNC(=O)NCC(=O)Nc1nnc(s1)[*:1]
CCC(CC)c1nnc(NC(=O)CNC(=O)NC)s1 CNC(=O)N[*:1] CCC(CC)c1nnc(NC(=O)C[*:1])s1
CCC(CC)c1nnc(NC(=O)CNC(=O)NC)s1 CNC(=O)NC[*:1] CCC(CC)c1nnc(NC(=O)[*:1])s1
C/C(C[C@@]1(O)C(=O)Nc2ccccc21)=N\O CC(=NO)[*:1] O=C1Nc2ccccc2[C@@]1(O)C[*:1]
C/C(C[C@@]1(O)C(=O)Nc2ccccc21)=N\O C/C(C[*:1])=N\O O=C1Nc2ccccc2[C@]1(O)[*:1]
CCCn1cc[nH+]c1C[C@H]1CCCC[C@@H]([NH3+])C1 CCC[*:1] [NH3+][C@@H]1CCCC[C@H](Cc2[nH+]ccn2[*:1])C1
CSc1nc(C2CC2)cc(C(=O)NC2CCC(O)CC2)c1C#N OC1CCC(CC1)[*:1] CSc1nc(cc(C(=O)N[*:1])c1C#N)C1CC1
CSc1nc(C2CC2)cc(C(=O)NC2CCC(O)CC2)c1C#N C1CC1[*:1] CSc1nc(cc(C(=O)NC2CCC(O)CC2)c1C#N)[*:1]
CCN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 c1cc(ccn1)C[*:1] CCN(S(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)[*:1]
CCN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] CCN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CCN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 c1cc(ccn1)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
COc1cc(C(=O)Nc2ccccc2C)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)Nc2ccccc2C)c(cc1OC)[*:1]
COc1cc(C(=O)Nc2ccccc2C)c([N+](=O)[O-])cc1OC Cc1ccccc1[*:1] COc1cc(C(=O)N[*:1])c(cc1OC)[N+](=O)[O-]
C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC1(c2ccncc2)CC1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC1(CC1)[*:1]
C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC1(c2ccncc2)CC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[*:1])C(=O)NCC1(CC1)c1ccncc1
COc1cccc(NC(=O)[C@@H](C)Sc2nnc3n2CCCCC3)c1 COc1cccc(c1)[*:1] C[C@@H](Sc1nnc2CCCCCn21)C(=O)N[*:1]
Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1nc2cc(Cl)ccc2n1C Cc1ccccc1[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1nc2cc(Cl)ccc2n1C
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2sccc2C)[C@@H](C(=O)[O-])C1 Cc1ccsc1[*:1] CC1C[C@H](C(=O)[O-])[C@@H](CC=1C)C(=O)NNC(=O)[*:1]
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2sccc2C)[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC1C[C@H]([C@@H](CC=1C)C(=O)NNC(=O)c1sccc1C)[*:1]
O=C(Cc1ccc(Br)cc1)Nc1nnc(C2CCCCC2)s1 Brc1ccc(cc1)[*:1] O=C(C[*:1])Nc1nnc(s1)C1CCCCC1
O=C(Cc1ccc(Br)cc1)Nc1nnc(C2CCCCC2)s1 C1CCC(CC1)[*:1] O=C(Cc1ccc(Br)cc1)Nc1nnc(s1)[*:1]
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2OC(C)C)o1 CC(C)O[*:1] Cc1ccc(o1)[C@H](C)NC(=O)C(=O)Nc1ccccc1[*:1]
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2OC(C)C)o1 CC(C)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)C(=O)Nc1ccccc1O[*:1]
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2OC(C)C)o1 Cc1ccc(o1)[*:1] CC(C)Oc1ccccc1NC(=O)C(=O)N[C@@H](C)[*:1]
COc1ccc([C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cn1ncc2c1CCC[C@H]2[NH2+][C@H](C1CCOCC1)[*:1]
COc1ccc([C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)[*:1]
Cc1cccc2c1=[NH+][C@H](CN(C)C[C@@H]1C=NN=C1c1ccc3c(c1)OCO3)[NH+]=2 c1cc2OCOc2cc1[*:1] Cc1cccc2=[NH+][C@@H](CN(C)C[C@@H]3C=NN=C3[*:1])[NH+]=c12
Cc1cc(CCCC(=O)N2CC[C@H]3CCCC[C@H]32)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CCC[*:1])N1CC[C@H]2CCCC[C@H]21
CC[C@H]([NH3+])[C@@H](N1CCN2C(=O)NC[C@@H]2C1)C(F)(F)F FC(F)(F)[*:1] CC[C@H]([NH3+])[C@@H](N1CCN2C(=O)NC[C@@H]2C1)[*:1]
CCCc1nnc(NC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)s1 CCCc1nnc(s1)[*:1] C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N[*:1]
CCCc1nnc(NC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)s1 C(=C[*:1])c1ccccc1 CCCc1nnc(NC(=O)[C@@H](C)NC(=O)[*:1])s1
CCCc1nnc(NC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)s1 c1ccc(cc1)[*:1] CCCc1nnc(NC(=O)[C@@H](C)NC(=O)C=C[*:1])s1
CCCc1nnc(NC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)s1 CCC[*:1] C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)Nc1nnc(s1)[*:1]
Cc1ncsc1CN1CCN(Cc2scnc2C)CC1 Cc1ncsc1[*:1] Cc1ncsc1CN1CCN(CC1)C[*:1]
Cc1nc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n(C[C@@H]2CCCO2)c1C C1CO[C@@H](C1)C[*:1] Cc1nc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n(c1C)[*:1]
Cc1nc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n(C[C@@H]2CCCO2)c1C CC(C)[*:1] Cc1nc(S[C@@H](C)C(=O)N[C@@](C)(C#N)[*:1])n(C[C@@H]2CCCO2)c1C
Cc1nc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n(C[C@@H]2CCCO2)c1C CC(C)[C@@](C)(C#N)[*:1] Cc1nc(S[C@@H](C)C(=O)N[*:1])n(C[C@@H]2CCCO2)c1C
Cc1nc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n(C[C@@H]2CCCO2)c1C C1CO[C@@H](C1)[*:1] Cc1nc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n(C[*:1])c1C
COc1ccc(NC(=O)CSCC(=O)Nc2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] O=C(CSCC(=O)N[*:1])Nc1ccccc1Cl
COc1ccc(NC(=O)CSCC(=O)Nc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)NC(=O)CSCC(=O)N[*:1]
CSc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CSc1ccc(cc1)C[NH2+]C[*:1]
Cc1c(Cl)ccc2sc(N3CCN(C(=O)c4cc(Cl)ccc4[N+](=O)[O-])CC3)nc12 O=[N+]([O-])[*:1] Cc1c(Cl)ccc2sc(nc12)N1CCN(CC1)C(=O)c1cc(Cl)ccc1[*:1]
CC(C)N(Cc1ccccc1)S(=O)(=O)C[C@H](C)CCl CC(C)[*:1] C[C@H](CCl)CS(=O)(=O)N(Cc1ccccc1)[*:1]
CC(C)N(Cc1ccccc1)S(=O)(=O)C[C@H](C)CCl c1ccc(cc1)[*:1] CC(C)N(C[*:1])S(=O)(=O)C[C@H](C)CCl
O=C(NCCC1=CCOCC1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(NCCC1=CCOCC1)N1CCC(CC1)OC[*:1]
O=C(NCCC1=CCOCC1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(NCCC1=CCOCC1)N1CCC(CC1)O[*:1]
O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc(F)cc1Br Fc1ccc(c(Br)c1)[*:1] O=C(NNC(=O)[*:1])[C@H]1C[C@@H]1c1cccc(F)c1
O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc(F)cc1Br Fc1cccc(c1)[*:1] O=C(NNC(=O)[C@H]1C[C@H]1[*:1])c1ccc(F)cc1Br
C[C@H](NC(=O)CN(C)C(=O)c1ccccc1)c1cc2ccccc2o1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CN(C)C(=O)[*:1])c1cc2ccccc2o1
C[C@@H](OCC(F)(F)F)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 FC(F)(F)CO[*:1] C[C@@H](NC(=O)[C@H](C)[*:1])c1ccc(cc1)-c1ccncc1
C[C@@H](OCC(F)(F)F)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@@H](OCC(F)(F)F)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
C[C@@H](OCC(F)(F)F)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 FC(F)(F)C[*:1] C[C@@H](O[*:1])C(=O)N[C@H](C)c1ccc(cc1)-c1ccncc1
C[C@@H](OCC(F)(F)F)C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 FC(F)(F)[*:1] C[C@@H](OC[*:1])C(=O)N[C@H](C)c1ccc(cc1)-c1ccncc1
Cc1nnc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@H]2c2ccco2)s1 c1coc(c1)[*:1] Cc1nnc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@@H]2[*:1])s1
Cc1nnc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@H]2c2ccco2)s1 Cc1nnc(S[*:1])s1 O=C(C[*:1])N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1
Cc1nnc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@H]2c2ccco2)s1 c1coc(c1)[*:1] Cc1nnc(SCC(=O)N2N=C3C(=C[*:1])CCC[C@H]3[C@H]2c2ccco2)s1
Cc1nnc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@H]2c2ccco2)s1 Cc1nnc(SC[*:1])s1 O=C(N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1)[*:1]
Cc1nnc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@H]2c2ccco2)s1 Cc1nnc(s1)[*:1] O=C(CS[*:1])N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1
CCCCCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3cccc(C)c3)c(=O)n21 CCCCCNC(=O)C[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@H]3[*:1]
CCCCCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3cccc(C)c3)c(=O)n21 CCCCC[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@H]3CC(=O)N[*:1]
CCCCCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3cccc(C)c3)c(=O)n21 CCCC[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@H]3CC(=O)NC[*:1]
CCCCCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3cccc(C)c3)c(=O)n21 CCC[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@H]3CC(=O)NCC[*:1]
CCCCCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3cccc(C)c3)c(=O)n21 Cc1cccc(c1)[*:1] CCCCCNC(=O)C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
CCCCCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3cccc(C)c3)c(=O)n21 CCCCCNC(=O)[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@H]3C[*:1]
COc1ccc(OC)c2[nH]c(C(F)(F)F)nc12 FC(F)(F)[*:1] COc1ccc(OC)c2[nH]c(nc12)[*:1]
COc1cccc(CSc2nnc(-c3ccc(Br)cc3)n2N)c1 Brc1ccc(cc1)[*:1] COc1cccc(c1)CSc1nnc(n1N)[*:1]
O=C([C@H]1CSCN1C(=O)CCCc1cc(F)ccc1F)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(CCCc1cc(F)ccc1F)N1CSC[C@@H]1[*:1]
O=C([C@H]1CSCN1C(=O)CCCc1cc(F)ccc1F)N1CCCC1 Fc1ccc(F)c(c1)[*:1] O=C([C@H]1CSCN1C(=O)CCC[*:1])N1CCCC1
NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)COc2cc(Cl)ccc2Cl)c1=O Clc1ccc(Cl)c(c1)[*:1] NC(=O)c1cc(cn(C[C@@H](O)CO[*:1])c1=O)[N+](=O)[O-]
NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)COc2cc(Cl)ccc2Cl)c1=O O=[N+]([O-])[*:1] NC(=O)c1cc(cn(C[C@@H](O)COc2cc(Cl)ccc2Cl)c1=O)[*:1]
NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)COc2cc(Cl)ccc2Cl)c1=O NC(=O)[*:1] O=c1c(cc(cn1C[C@@H](O)COc1cc(Cl)ccc1Cl)[N+](=O)[O-])[*:1]
CCOCCS(=O)(=O)Cc1cc(=O)n2c(C)cccc2n1 CCOCC[*:1] Cc1cccc2nc(cc(=O)n12)CS(=O)(=O)[*:1]
CCOCCS(=O)(=O)Cc1cc(=O)n2c(C)cccc2n1 CCO[*:1] Cc1cccc2nc(cc(=O)n12)CS(=O)(=O)CC[*:1]
CCOCCS(=O)(=O)Cc1cc(=O)n2c(C)cccc2n1 CCOC[*:1] Cc1cccc2nc(cc(=O)n12)CS(=O)(=O)C[*:1]
CC(C)S(=O)(=O)c1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 CC(C)S(=O)(=O)[*:1] O=C(Nc1ccc2nc(sc2c1)[*:1])c1ccc(Br)cc1
CC(C)S(=O)(=O)c1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 CC(C)[*:1] O=C(Nc1ccc2nc(sc2c1)S(=O)(=O)[*:1])c1ccc(Br)cc1
CC(C)S(=O)(=O)c1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 Brc1ccc(cc1)[*:1] CC(C)S(=O)(=O)c1nc2ccc(cc2s1)NC(=O)[*:1]
C[C@H]([NH2+]Cc1cc(C(=O)[O-])cs1)c1ccsc1 O=C([O-])[*:1] C[C@H]([NH2+]Cc1cc(cs1)[*:1])c1ccsc1
C[C@H]([NH2+]Cc1cc(C(=O)[O-])cs1)c1ccsc1 c1cc(cs1)[*:1] C[C@H]([NH2+]Cc1cc(cs1)C(=O)[O-])[*:1]
CCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)C1CC1 c1csc(c1)[*:1] CCN(C(=O)/C=C/c1cn(nc1[*:1])-c1ccccc1)C1CC1
CCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)C1CC1 CCN(C(=O)[*:1])C1CC1 C(=C[*:1])c1cn(nc1-c1cccs1)-c1ccccc1
CCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)C1CC1 C1CC1[*:1] CCN(C(=O)/C=C/c1cn(nc1-c1cccs1)-c1ccccc1)[*:1]
CCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)C1CC1 c1ccc(cc1)[*:1] CCN(C(=O)/C=C/c1cn(nc1-c1cccs1)[*:1])C1CC1
Cc1cc(Cn2ccc([C@@H]([NH3+])C3CC3)c2)n(C)n1 C1CC1[*:1] Cc1cc(Cn2ccc(c2)[C@@H]([NH3+])[*:1])n(C)n1
C[C@H]1C[C@H]1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 O=C1CCCN1C[*:1] C[C@H]1C[C@H]1C(=O)N1C[C@H](C[*:1])c2ccccc21
C[C@H]1C[C@H]1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 O=C1CCCN1[*:1] C[C@H]1C[C@H]1C(=O)N1C[C@H](CC[*:1])c2ccccc21
O=C(c1cccnc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccnc1)N1CCN(CC1)S(=O)(=O)C=C[*:1]
O=C(c1cccnc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1cncc(c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1)[*:1]
O=C(c1cccnc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(c1cccnc1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1nc2cc(N[C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)ccc2o1 Clc1ccc(Cl)c(c1)[*:1] Cc1nc2cc(ccc2o1)N[C@@H](C)C(=O)N[*:1]
C[C@H](N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1)C1(C)CC1 CC1(CC1)[*:1] C[C@H](N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1)[*:1]
C[C@H](N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1)C1(C)CC1 Clc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)N[C@@H](c1ncon1)[*:1])C1(C)CC1
C[C@H](N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1)C1(C)CC1 c1nc(no1)[*:1] C[C@H](N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1])C1(C)CC1
O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc([nH]c1=O)[*:1]
O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(-c2ccccc2)[nH]c1=O C1CC1[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1ccc([nH]c1=O)-c1ccccc1
O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)C[*:1] O=C(N[C@@H](C1CC1)[*:1])c1ccc([nH]c1=O)-c1ccccc1
O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C1CC1)c1ccc([nH]c1=O)-c1ccccc1
CC(C)c1ocnc1C[S@@](=O)Cc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)c1ocnc1C[S@@](=O)Cc1nnnn1[*:1]
CC(C)c1ocnc1C[S@@](=O)Cc1nnnn1-c1ccccc1 CC(C)[*:1] O=[S@](Cc1ncoc1[*:1])Cc1nnnn1-c1ccccc1
CC(C)N(Cc1nnsc1Cl)c1ccc(F)cc1 CC(C)[*:1] Fc1ccc(cc1)N(Cc1nnsc1Cl)[*:1]
CC(C)N(Cc1nnsc1Cl)c1ccc(F)cc1 Clc1snnc1[*:1] CC(C)N(C[*:1])c1ccc(F)cc1
O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(NCC1(CC1)c1cccc(c1)C(F)(F)F)C(=O)N[*:1]
O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)C(=O)Nc1ccccc1F FC(F)(F)[*:1] O=C(NCC1(CC1)c1cccc(c1)[*:1])C(=O)Nc1ccccc1F
CCOc1ccc(OCC(=O)N2CCN(c3nccn3-c3cccc(Cl)c3)CC2)cc1 CCOc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)c1nccn1-c1cccc(Cl)c1
CCOc1ccc(OCC(=O)N2CCN(c3nccn3-c3cccc(Cl)c3)CC2)cc1 Clc1cccc(c1)[*:1] CCOc1ccc(cc1)OCC(=O)N1CCN(CC1)c1nccn1[*:1]
CCOc1ccc(OCC(=O)N2CCN(c3nccn3-c3cccc(Cl)c3)CC2)cc1 CCO[*:1] O=C(COc1ccc(cc1)[*:1])N1CCN(CC1)c1nccn1-c1cccc(Cl)c1
CCOc1ccc(OCC(=O)N2CCN(c3nccn3-c3cccc(Cl)c3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1nccn1-c1cccc(Cl)c1
O=c1oc2cccnc2n1CC[NH+]1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] O=c1oc2cccnc2n1CC[NH+]1CCN(CC1)[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ncoc1C(C)C COC(=O)[*:1] CC(C)c1ocnc1CN1C[C@H](O)C[C@H]1[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ncoc1C(C)C CC(C)[*:1] COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ncoc1[*:1]
CC(=O)NCC(=O)NCC1([NH+](C)C)CCOCC1 CC(=O)NC[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)[*:1]
CC(=O)NCC(=O)NCC1([NH+](C)C)CCOCC1 CC(=O)N[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)C[*:1]
O=C(NC1CCCCC1)c1nccnc1-c1nc2ccccc2s1 C1CCC(CC1)[*:1] O=C(N[*:1])c1nccnc1-c1nc2ccccc2s1
C[C@]1(c2ccccn2)NC(=O)N(Cc2ccc(F)cc2)C1=O c1ccc(nc1)[*:1] C[C@@]1(NC(=O)N(Cc2ccc(F)cc2)C1=O)[*:1]
C[C@]1(c2ccccn2)NC(=O)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccccn1
CC(C)(CNc1c(N)ccc(F)c1F)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNc1c(N)ccc(F)c1F)[*:1]
O=C(c1cc(CC2(NCc3ccccc3Cl)COC2)no1)N1CCCCC1 Clc1ccccc1CN[*:1] O=C(c1cc(CC2(COC2)[*:1])no1)N1CCCCC1
O=C(c1cc(CC2(NCc3ccccc3Cl)COC2)no1)N1CCCCC1 Clc1ccccc1[*:1] O=C(c1cc(CC2(COC2)NC[*:1])no1)N1CCCCC1
O=C(c1cc(CC2(NCc3ccccc3Cl)COC2)no1)N1CCCCC1 Clc1ccccc1C[*:1] O=C(c1cc(CC2(COC2)N[*:1])no1)N1CCCCC1
O=C(c1cc(CC2(NCc3ccccc3Cl)COC2)no1)N1CCCCC1 O=C(N1CCCCC1)[*:1] Clc1ccccc1CNC1(COC1)Cc1cc(on1)[*:1]
Cc1nc(-c2cccc(-c3nc4ccsc4c(=O)[nH]3)c2)cs1 Cc1nc(cs1)[*:1] O=c1[nH]c(nc2ccsc12)-c1cccc(c1)[*:1]
CC(C)CNC(=O)CNC(=O)Nc1cnn(-c2ccccc2F)c1 CC(C)CNC(=O)[*:1] O=C(NC[*:1])Nc1cnn(c1)-c1ccccc1F
CC(C)CNC(=O)CNC(=O)Nc1cnn(-c2ccccc2F)c1 CC(C)[*:1] O=C(CNC(=O)Nc1cnn(c1)-c1ccccc1F)NC[*:1]
CC(C)CNC(=O)CNC(=O)Nc1cnn(-c2ccccc2F)c1 CC(C)CNC(=O)C[*:1] O=C(Nc1cnn(c1)-c1ccccc1F)N[*:1]
CC(C)CNC(=O)CNC(=O)Nc1cnn(-c2ccccc2F)c1 CC(C)C[*:1] O=C(CNC(=O)Nc1cnn(c1)-c1ccccc1F)N[*:1]
CC(C)CNC(=O)CNC(=O)Nc1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] CC(C)CNC(=O)CNC(=O)Nc1cnn(c1)[*:1]
CC(C)n1cc2cc(NC(=O)C(=O)NC[C@]3(C)CCCO3)ccc2n1 CC(C)[*:1] C[C@]1(CCCO1)CNC(=O)C(=O)Nc1ccc2nn(cc2c1)[*:1]
C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccccc2F)cc1 Fc1ccccc1[*:1] C[NH+](C)CCOc1ccc(cc1)CNC(=O)N[*:1]
COCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] COCCNC(=O)C(=O)Nc1ccc(Cl)cc1[*:1]
COCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F COCC[*:1] O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N[*:1]
COCCNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F COC[*:1] O=C(NC[*:1])C(=O)Nc1ccc(Cl)cc1C(F)(F)F
Cc1ccc(C)c([C@@H]2CN(C(=O)c3cn(C)nc3C(C)(C)C)[C@H](C)CO2)c1 CC(C)(C)[*:1] Cc1ccc(C)c(c1)[C@@H]1CN(C(=O)c2cn(C)nc2[*:1])[C@H](C)CO1
Cc1ccc(C)c([C@@H]2CN(C(=O)c3cn(C)nc3C(C)(C)C)[C@H](C)CO2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H]1CO[C@@H](CN1C(=O)c1cn(C)nc1C(C)(C)C)[*:1]
COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)[*:1])S(=O)(=O)[N-]c1cccc(c1)C(C)C
COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)c([N+](=O)[O-])c1 CC(C)[*:1] COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)[N-]c1cccc(c1)[*:1]
CCOC[C@@H]1CCN(C(=O)c2cnn([C@H](C)CC)c2C2CC2)C1 CCO[*:1] CC[C@@H](C)n1ncc(C(=O)N2CC[C@H](C2)C[*:1])c1C1CC1
CCOC[C@@H]1CCN(C(=O)c2cnn([C@H](C)CC)c2C2CC2)C1 CC[C@@H](C)[*:1] CCOC[C@@H]1CCN(C1)C(=O)c1cnn(c1C1CC1)[*:1]
CCOC[C@@H]1CCN(C(=O)c2cnn([C@H](C)CC)c2C2CC2)C1 C1CC1[*:1] CCOC[C@@H]1CCN(C1)C(=O)c1cnn(c1[*:1])[C@H](C)CC
CCOC[C@@H]1CCN(C(=O)c2cnn([C@H](C)CC)c2C2CC2)C1 CCOC[*:1] CC[C@@H](C)n1ncc(C(=O)N2CC[C@H](C2)[*:1])c1C1CC1
CC(C)NC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(Cl)s2)c1 CC(C)NC(=O)N[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])c1ccc(Cl)s1
CC(C)NC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(Cl)s2)c1 Clc1ccc(s1)[*:1] CC(C)NC(=O)Nc1cccc(c1)C(=O)N[C@H](C)[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(Cl)s2)c1 CC(C)[*:1] C[C@@H](NC(=O)c1cccc(c1)NC(=O)N[*:1])c1ccc(Cl)s1
Cc1cc(=O)oc2cc(NC(=O)c3ccccc3SCC(=O)N(C)C3CCCCC3)ccc12 CN(C(=O)[*:1])C1CCCCC1 Cc1cc(=O)oc2cc(ccc12)NC(=O)c1ccccc1SC[*:1]
Cc1cc(=O)oc2cc(NC(=O)c3ccccc3SCC(=O)N(C)C3CCCCC3)ccc12 C1CCC(CC1)[*:1] Cc1cc(=O)oc2cc(ccc12)NC(=O)c1ccccc1SCC(=O)N(C)[*:1]
Cc1cc(=O)oc2cc(NC(=O)c3ccccc3SCC(=O)N(C)C3CCCCC3)ccc12 CN(C(=O)C[*:1])C1CCCCC1 Cc1cc(=O)oc2cc(ccc12)NC(=O)c1ccccc1S[*:1]
Cc1onc(-c2ccccc2)c1C(=O)OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1onc(-c2ccccc2)c1C(=O)OC[*:1]
Cc1onc(-c2ccccc2)c1C(=O)OCc1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)OCc1ccc(Cl)cc1)[*:1]
Cc1cccc(C)c1NC(=O)Nc1cccn(Cc2ccc(Cl)cc2)c1=O Cc1cccc(C)c1[*:1] O=C(Nc1cccn(Cc2ccc(Cl)cc2)c1=O)N[*:1]
Cc1cccc(C)c1NC(=O)Nc1cccn(Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)Nc1cccn(C[*:1])c1=O
Cc1cccc(C)c1NC(=O)Nc1cccn(Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)C[*:1] Cc1cccc(C)c1NC(=O)Nc1cccn(c1=O)[*:1]
Cc1ccsc1CNC(=O)C[NH+]1CC(C)(C)C1(C)C Cc1ccsc1[*:1] CC1(C)C[NH+](CC(=O)NC[*:1])C1(C)C
Cc1c([C@@H](Nc2ccccc2Br)C(N)=O)cnn1C NC(=O)[*:1] Cc1c(cnn1C)[C@@H](Nc1ccccc1Br)[*:1]
O=C([O-])c1cc(/C=C/c2cc3ccccc3s2)ncn1 O=C([O-])[*:1] C(=C/c1cc2ccccc2s1)\c1cc(ncn1)[*:1]
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 O=[N+]([O-])[*:1] O=C1[C@H]2ON(c3cccc(c3)[*:1])[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C1[C@H]2ON([C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1)[*:1]
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1[C@H]2ON(c3cccc(c3)[N+](=O)[O-])[C@@H](c3ccccc3)[C@@H]2C(=O)N1[*:1]
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C1[C@H]2ON(c3cccc(c3)[N+](=O)[O-])[C@@H]([C@@H]2C(=O)N1c1ccc(F)cc1)[*:1]
Cc1ccc(CNC(=O)CSCc2c(C)nn(C)c2Cl)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)c(Cl)c1CSCC(=O)NC[*:1]
Cc1ccc(-c2nc(Cl)cc(-c3ccccn3)n2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)-c1nc(Cl)cc(n1)[*:1]
C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2N2CCCCCC2)C1 C1CCCN(CC1)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccccc1[*:1]
COc1ccccc1[C@H](NC(=O)C[C@H]1CCC[C@H](C)C1)c1noc(C)n1 COc1ccccc1[*:1] Cc1nc(no1)[C@@H](NC(=O)C[C@H]1CCC[C@H](C)C1)[*:1]
COc1ccccc1[C@H](NC(=O)C[C@H]1CCC[C@H](C)C1)c1noc(C)n1 C[C@H]1CCC[C@@H](C1)C[*:1] COc1ccccc1[C@H](NC(=O)[*:1])c1noc(C)n1
COc1ccccc1[C@H](NC(=O)C[C@H]1CCC[C@H](C)C1)c1noc(C)n1 Cc1nc(no1)[*:1] COc1ccccc1[C@H](NC(=O)C[C@H]1CCC[C@H](C)C1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCC(=O)c1ccc[nH]1 Fc1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)OCC(=O)c1ccc[nH]1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCC(=O)c1ccc[nH]1 c1c[nH]c(c1)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCC(=O)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCC(=O)c1ccc[nH]1 O=C(c1ccc[nH]1)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OC[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCC(=O)c1ccc[nH]1 O=C(C[*:1])c1ccc[nH]1 Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)O[*:1]
CCc1nc(CN(c2cccc(C#N)c2)S(C)(=O)=O)no1 CCc1nc(no1)[*:1] CS(=O)(=O)N(C[*:1])c1cccc(C#N)c1
CNC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC c1ccc(cc1)C[*:1] CNC(=O)c1cc(ccc1OC)S(=O)(=O)N1CCC(CC1)[*:1]
CNC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC CNC(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1CCC(CC1)Cc1ccccc1
CNC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC c1ccc(cc1)[*:1] CNC(=O)c1cc(ccc1OC)S(=O)(=O)N1CCC(CC1)C[*:1]
CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C)S(=O)(=O)c1cc(ccc1Cl)C(=O)N(C)[*:1]
CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CCCCC1 CN(C)S(=O)(=O)[*:1] CN(C(=O)c1ccc(Cl)c(c1)[*:1])C1CCCCC1
O=C(c1ccc2[nH]cnc2c1)N1CCC(Oc2nc3c(F)cc(F)cc3s2)CC1 c1nc2cc(ccc2[nH]1)[*:1] O=C(N1CCC(CC1)Oc1nc2c(F)cc(F)cc2s1)[*:1]
CCOC(=O)C1(O)CC[NH+](Cc2ccco2)CC1 c1coc(c1)[*:1] CCOC(=O)C1(O)CC[NH+](CC1)C[*:1]
CCOC(=O)C1(O)CC[NH+](Cc2ccco2)CC1 c1coc(c1)C[*:1] CCOC(=O)C1(O)CC[NH+](CC1)[*:1]
CCOC(=O)C1(O)CC[NH+](Cc2ccco2)CC1 CCOC(=O)[*:1] OC1(CC[NH+](CC1)Cc1ccco1)[*:1]
O=S(=O)(Cc1coc(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=S(=O)(Cc1coc(n1)[*:1])c1nc(cs1)-c1ccccc1
O=S(=O)(Cc1coc(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=S(=O)(Cc1coc(n1)-c1ccccc1)c1nc(cs1)[*:1]
CCc1ccc(CCNC(=O)NCCC(=O)N(C)C)cc1 CN(C)C(=O)CC[*:1] CCc1ccc(cc1)CCNC(=O)N[*:1]
CCc1ccc(CCNC(=O)NCCC(=O)N(C)C)cc1 CN(C)C(=O)C[*:1] CCc1ccc(cc1)CCNC(=O)NC[*:1]
CCc1ccc(CCNC(=O)NCCC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CCc1ccc(cc1)CCNC(=O)NCC[*:1]
C#CCOc1c(Br)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC Clc1cccc(c1)[*:1] C#CCOc1c(Br)cc(/C=C2\SC(=O)N(C2=O)[*:1])cc1OC
C#CCOc1c(Br)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC C#CCO[*:1] COc1cc(/C=C2\SC(=O)N(C2=O)c2cccc(Cl)c2)cc(Br)c1[*:1]
C#CCOc1c(Br)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC C#CC[*:1] COc1cc(/C=C2\SC(=O)N(C2=O)c2cccc(Cl)c2)cc(Br)c1O[*:1]
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](c2nccs2)C2CC2)cc1 c1csc(n1)[*:1] C#CCOc1ccc(cc1)NC(=O)C(=O)N[C@@H](C1CC1)[*:1]
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](c2nccs2)C2CC2)cc1 C#CCO[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N[C@@H](c1nccs1)C1CC1
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](c2nccs2)C2CC2)cc1 C1CC1[*:1] C#CCOc1ccc(cc1)NC(=O)C(=O)N[C@@H](c1nccs1)[*:1]
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](c2nccs2)C2CC2)cc1 C#CC[*:1] O=C(Nc1ccc(cc1)O[*:1])C(=O)N[C@@H](c1nccs1)C1CC1
COc1ccc(OC)c(COc2ccc(Cl)cc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OC)c(c1)COc1ccc(Cl)cc1[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)c2nc3c(F)cccc3s2)CC1 O=C(Nc1ccccc1)[*:1] O=C(c1nc2c(F)cccc2s1)N1CCC(CC1)[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)c2nc3c(F)cccc3s2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1nc2c(F)cccc2s1
COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccnc3)nc21 NC(=O)[*:1] COc1ccccc1-n1c(=O)[nH]c2c(nc(nc21)-c1cccnc1)[*:1]
COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccnc3)nc21 COc1ccccc1[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2[*:1])-c1cccnc1
COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccnc3)nc21 c1cncc(c1)[*:1] COc1ccccc1-n1c(=O)[nH]c2c(nc(nc21)[*:1])C(N)=O
O=C(Cn1ccnc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 c1cn(cn1)[*:1] O=C(C[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
O=C(Cn1ccnc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 c1cn(cn1)C[*:1] O=C(N1CCC(CC1)n1c(=O)[nH]c2ccccc21)[*:1]
CCNC(=O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 CCNC(=O)C[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@H]1N[*:1]
CCNC(=O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 CCNC(=O)[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@H]1NC[*:1]
CCS[C@@H]1CC[C@@]1([O-])CNC(=O)c1cccc(OC)n1 CCS[*:1] COc1cccc(n1)C(=O)NC[C@]1([O-])CC[C@H]1[*:1]
C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](C)NC(=O)c2occc2Br)C1 Brc1ccoc1[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C[C@@H](C)NC(=O)[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)C(=O)Nc1cnc2ccccc2c1 COc1ccccc1[*:1] O=C(Nc1cnc2ccccc2c1)C(=O)N1CCC[C@@H]1[*:1]
COC(=O)c1ccccc1N[C@@H]1c2ccccc2C(=O)N1c1cccnc1 c1cncc(c1)[*:1] COC(=O)c1ccccc1N[C@@H]1c2ccccc2C(=O)N1[*:1]
COC(=O)c1ccccc1N[C@@H]1c2ccccc2C(=O)N1c1cccnc1 COC(=O)[*:1] O=C1c2ccccc2[C@@H](Nc2ccccc2[*:1])N1c1cccnc1
Cc1c(-c2ccnc(N3CC[NH+](C)CC3)n2)cnc2nc(-c3ccc4c(c3)OCCCO4)nn12 c1cc2OCCCOc2cc1[*:1] Cc1c(cnc2nc(nn12)[*:1])-c1ccnc(n1)N1CC[NH+](C)CC1
Cc1ccc(CC(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1O O=C1NCCN1[*:1] Cc1ccc(cc1O)CC(=O)N1CCC[C@H](C1)[*:1]
Cc1nnc(=O)[nH]c1N/N=C/c1cccc(OC(C)C)c1 CC(C)O[*:1] Cc1nnc(=O)[nH]c1N/N=C/c1cccc(c1)[*:1]
Cc1nnc(=O)[nH]c1N/N=C/c1cccc(OC(C)C)c1 CC(C)[*:1] Cc1nnc(=O)[nH]c1N/N=C/c1cccc(c1)O[*:1]
C[C@H](CC#N)N(C)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H](CC#N)N(C)C(=O)Nc1cccc(c1)NC(=O)[*:1]
C[C@H](CC#N)N(C)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 N#CC[*:1] C[C@H](N(C)C(=O)Nc1cccc(c1)NC(=O)c1ccccc1)[*:1]
Cc1ccc2c(CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)cc(=O)oc2c1 Fc1ccc(cc1)[*:1] Cc1ccc2c(cc(=O)oc2c1)CN1C(=O)N[C@](C)(C1=O)[*:1]
O=C(Nc1c(Cl)cccc1Cl)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 c1ccc(cc1)[*:1] O=C(Nc1c(Cl)cccc1Cl)[C@H]1CN(c2ccccc2O1)S(=O)(=O)C[*:1]
O=C(Nc1c(Cl)cccc1Cl)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 Clc1cccc(Cl)c1[*:1] O=C(N[*:1])[C@H]1CN(c2ccccc2O1)S(=O)(=O)Cc1ccccc1
O=C(Nc1c(Cl)cccc1Cl)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 c1ccc(cc1)C[*:1] O=C(Nc1c(Cl)cccc1Cl)[C@H]1CN(c2ccccc2O1)S(=O)(=O)[*:1]
O=C([O-])COC1(Cc2ccccc2)CCCCC1 O=C([O-])CO[*:1] c1ccc(cc1)CC1(CCCCC1)[*:1]
O=C([O-])COC1(Cc2ccccc2)CCCCC1 O=C([O-])[*:1] c1ccc(cc1)CC1(CCCCC1)OC[*:1]
O=C([O-])COC1(Cc2ccccc2)CCCCC1 c1ccc(cc1)[*:1] O=C([O-])COC1(CCCCC1)C[*:1]
O=C([O-])COC1(Cc2ccccc2)CCCCC1 O=C([O-])C[*:1] c1ccc(cc1)CC1(CCCCC1)O[*:1]
Cc1cc(C[C@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@@H](C[*:1])N[C@H](C)c1ccc(cc1)N1CCOC1=O
Cc1cc(C[C@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@H](N[C@H](C)c1ccc(cc1)N1CCOC1=O)[*:1]
Cc1cc(C[C@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)n[nH]1 O=C1OCCN1[*:1] Cc1cc(C[C@H](C)N[C@H](C)c2ccc(cc2)[*:1])n[nH]1
Cc1nsc(N2CCN(Cc3ccc(C)c(C)c3)CC2)n1 Cc1nsc(n1)[*:1] Cc1ccc(cc1C)CN1CCN(CC1)[*:1]
CCc1cccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CC5)n4)cc3)nc2C)c1 CCc1cccc(c1)[*:1] Cc1nn(cc1C(=O)N[*:1])-c1ccc(cc1)-c1noc(n1)C1CC1
CCc1cccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CC5)n4)cc3)nc2C)c1 C1CC1[*:1] CCc1cccc(c1)NC(=O)c1cn(nc1C)-c1ccc(cc1)-c1noc(n1)[*:1]
CCc1cccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CC5)n4)cc3)nc2C)c1 C1CC1c1nc(no1)[*:1] CCc1cccc(c1)NC(=O)c1cn(nc1C)-c1ccc(cc1)[*:1]
O=S(=O)(Nc1ccn(Cc2ccc(F)cc2Cl)n1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(Nc1ccn(Cc2ccc(F)cc2Cl)n1)[*:1]
Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)NCCC(=O)[O-] O=C([O-])CC[*:1] Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N[*:1]
Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)NCCC(=O)[O-] O=C([O-])C[*:1] Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)NC[*:1]
Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)NCCC(=O)[O-] O=C([O-])[*:1] Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)NCC[*:1]
CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1ccc(cc1)O[*:1]
CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 CCCO[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1ccc(cc1)[*:1]
Cn1cnc2c1c(=O)n(CC(=O)Oc1ccc(-c3ccc(Br)cc3)cc1)c(=O)n2C Brc1ccc(cc1)[*:1] Cn1cnc2c1c(=O)n(CC(=O)Oc1ccc(cc1)[*:1])c(=O)n2C
CCOc1cc(F)ccc1N[C@H]1CSCCC1(C)C CCO[*:1] CC1(C)CCSC[C@@H]1Nc1ccc(F)cc1[*:1]
Cc1ccccc1OCC(=O)NCCC(=O)[O-] O=C([O-])[*:1] Cc1ccccc1OCC(=O)NCC[*:1]
Cc1ccccc1OCC(=O)NCCC(=O)[O-] O=C([O-])CC[*:1] Cc1ccccc1OCC(=O)N[*:1]
Cc1ccccc1OCC(=O)NCCC(=O)[O-] O=C([O-])C[*:1] Cc1ccccc1OCC(=O)NC[*:1]
CCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2Oc2ccccc2C)CC1 Cc1ccccc1[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@@H]1CCCC[C@H]1O[*:1]
CCC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2Oc2ccccc2C)CC1 Cc1ccccc1O[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@@H]1CCCC[C@@H]1[*:1]
COC[C@@H](C)NC(=O)N(C)Cc1c(C)noc1C COC[*:1] Cc1noc(C)c1CN(C)C(=O)N[C@H](C)[*:1]
COC[C@@H](C)NC(=O)N(C)Cc1c(C)noc1C COC[C@@H](C)[*:1] Cc1noc(C)c1CN(C)C(=O)N[*:1]
COCCNC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[NH2+]C1 COCC[*:1] O=C(N[*:1])[C@@]1(CCC[NH2+]C1)C[C@@H]1CC(=NO1)c1ccc(F)cc1
COCCNC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[NH2+]C1 Fc1ccc(cc1)[*:1] COCCNC(=O)[C@@]1(CCC[NH2+]C1)C[C@@H]1CC(=NO1)[*:1]
COCCNC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[NH2+]C1 COC[*:1] O=C(NC[*:1])[C@@]1(CCC[NH2+]C1)C[C@@H]1CC(=NO1)c1ccc(F)cc1
COCCNC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[NH2+]C1 COCCNC(=O)[*:1] Fc1ccc(cc1)C1C[C@@H](C[C@@]2(CCC[NH2+]C2)[*:1])ON=1
Cc1ccc(/C=N/N2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)o1 Cc1ccc(o1)[*:1] C[C@]1(NC(=O)N(N=C[*:1])C1=O)c1ccc(cc1)OC(F)F
Cc1ccc(/C=N/N2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)o1 FC(F)O[*:1] Cc1ccc(/C=N/N2C(=O)N[C@](C)(C2=O)c2ccc(cc2)[*:1])o1
Cc1ccc(/C=N/N2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)o1 FC(F)[*:1] Cc1ccc(/C=N/N2C(=O)N[C@](C)(C2=O)c2ccc(cc2)O[*:1])o1
Cn1c(-c2ccc(F)cc2)cnc1NC(=O)c1ccccc1 Fc1ccc(cc1)[*:1] Cn1c(cnc1NC(=O)c1ccccc1)[*:1]
Cn1c(-c2ccc(F)cc2)cnc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cn1c(cnc1NC(=O)[*:1])-c1ccc(F)cc1
COc1cccc(/C=N/c2cc(NC(=O)C(C)C)ccc2C)c1O CC(C)C(=O)N[*:1] COc1cccc(/C=N/c2cc(ccc2C)[*:1])c1O
COc1cccc(/C=N/c2cc(NC(=O)C(C)C)ccc2C)c1O CC(C)[*:1] COc1cccc(/C=N/c2cc(ccc2C)NC(=O)[*:1])c1O
O=C([O-])COC[C@@H]1CCCCO1 O=C([O-])C[*:1] C1CC[C@@H](CO[*:1])OC1
O=C([O-])COC[C@@H]1CCCCO1 O=C([O-])[*:1] C1CC[C@@H](COC[*:1])OC1
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(N)=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(N)=O)[*:1]
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(N)=O)c1ccccc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)[C@H](NC(N)=O)[*:1])c1ccccc1
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(N)=O)c1ccccc1 NC(=O)N[*:1] C[C@H](NC(=O)[C@H](Cc1ccccc1)[*:1])c1ccccc1
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(N)=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H](C[*:1])NC(N)=O)c1ccccc1
COc1ccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)OCc1ccccc1
COc1ccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(cc1)OC[*:1]
COc1ccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 c1ccc(cc1)CO[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 Cc1ccccc1[*:1] O=C(N[*:1])N1CCC(CC1)c1nc2ccccc2[nH]1
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3cc4ccccc4[nH]3)nc21 CCOC(=O)[*:1] O=C(Nc1nc2c(CC[C@@H]2[*:1])s1)c1cc2ccccc2[nH]1
CCc1ccc(O)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCc1ccc(O)c(c1)NC(=O)CCNc1ccccc1[*:1]
Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccccc3C)CC2)cc1 Cc1ccccc1C(=O)N[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)c1c(Cl)cccc1[*:1]
Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccccc3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1C(=O)Nc1cccc(Cl)c1N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccccc3C)CC2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)[*:1]
Nc1c(Nc2ccccc2)ncnc1N1CCCCCC1 C1CCCN(CC1)[*:1] Nc1c(ncnc1[*:1])Nc1ccccc1
Nc1c(Nc2ccccc2)ncnc1N1CCCCCC1 c1ccc(cc1)[*:1] Nc1c(ncnc1N1CCCCCC1)N[*:1]
Nc1c(Nc2ccccc2)ncnc1N1CCCCCC1 c1ccc(cc1)N[*:1] Nc1c(ncnc1[*:1])N1CCCCCC1
Cc1cc(NCc2noc(-c3cccs3)n2)ccc1-n1cnnn1 c1csc(c1)[*:1] Cc1cc(ccc1-n1cnnn1)NCc1noc(n1)[*:1]
Cc1cc(NCc2noc(-c3cccs3)n2)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])NCc1noc(n1)-c1cccs1
O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C1S/C(=C/c2ccccc2F)C(=O)N1C[*:1]
O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)N1CCOCC1 Fc1ccccc1[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)N1CCOCC1
C[C@H](NCCc1nc2c(F)cccc2n1C)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NCCc1nc2c(F)cccc2n1C)c1ccc(cc1)[*:1]
O=C(NC1CC1)c1ccccc1NCc1ncn(-c2ccccc2)n1 O=C(NC1CC1)[*:1] c1ccc(cc1)-n1cnc(CNc2ccccc2[*:1])n1
O=C(NC1CC1)c1ccccc1NCc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NC1CC1)c1ccccc1NCc1ncn(n1)[*:1]
O=C(NC1CC1)c1ccccc1NCc1ncn(-c2ccccc2)n1 C1CC1[*:1] O=C(N[*:1])c1ccccc1NCc1ncn(n1)-c1ccccc1
C[C@@H]1CCN(C(=O)CCCOc2ccccc2Br)C[C@H]1O Brc1ccccc1[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)CCCO[*:1]
COc1cc(C)c([C@@H](C)NC(=O)CCn2cncn2)cc1OC c1ncn(C[*:1])n1 COc1cc(C)c(cc1OC)[C@@H](C)NC(=O)C[*:1]
COc1cc(C)c([C@@H](C)NC(=O)CCn2cncn2)cc1OC c1ncn(CC[*:1])n1 COc1cc(C)c(cc1OC)[C@@H](C)NC(=O)[*:1]
COc1cc(C)c([C@@H](C)NC(=O)CCn2cncn2)cc1OC c1ncn(n1)[*:1] COc1cc(C)c(cc1OC)[C@@H](C)NC(=O)CC[*:1]
CCC(C)(C)n1nnnc1[C@H](c1ccccc1OC)[NH+]1CCSCC1 CCC(C)(C)[*:1] COc1ccccc1[C@@H](c1nnnn1[*:1])[NH+]1CCSCC1
CCC(C)(C)n1nnnc1[C@H](c1ccccc1OC)[NH+]1CCSCC1 COc1ccccc1[*:1] CCC(C)(C)n1nnnc1[C@H]([NH+]1CCSCC1)[*:1]
CC(C)NC(=O)CSc1ccc(N)cc1 CC(C)[*:1] Nc1ccc(cc1)SCC(=O)N[*:1]
O=C(CNc1ccc(Br)cc1)Nc1cc(C2CC2)nn1-c1ccccc1 Brc1ccc(cc1)[*:1] O=C(CN[*:1])Nc1cc(nn1-c1ccccc1)C1CC1
O=C(CNc1ccc(Br)cc1)Nc1cc(C2CC2)nn1-c1ccccc1 C1CC1[*:1] O=C(CNc1ccc(Br)cc1)Nc1cc(nn1-c1ccccc1)[*:1]
O=C(CNc1ccc(Br)cc1)Nc1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(CNc1ccc(Br)cc1)Nc1cc(nn1[*:1])C1CC1
O=C(CNc1ccc(Br)cc1)Nc1cc(C2CC2)nn1-c1ccccc1 Brc1ccc(cc1)N[*:1] O=C(C[*:1])Nc1cc(nn1-c1ccccc1)C1CC1
CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)C1CCCCC1 C1CCC(CC1)[*:1] CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)[*:1]
CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)C1CCCCC1 CCO[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1[*:1])C1CCCCC1
Cc1cc(C)c(C#N)c(S[C@@H](C)CCCl)n1 ClCC[*:1] Cc1cc(C)c(C#N)c(n1)S[C@@H](C)[*:1]
Cc1cc(C)c(C#N)c(S[C@@H](C)CCCl)n1 C[C@@H](CCCl)[*:1] Cc1cc(C)c(C#N)c(n1)S[*:1]
CC[NH2+]Cc1c(C)n[nH]c1-c1ccco1 c1coc(c1)[*:1] CC[NH2+]Cc1c(C)n[nH]c1[*:1]
CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc(C)c1CC O=[N+]([O-])[*:1] CCOC(=O)c1c(NC(=O)c2ccc(c(C)c2)[*:1])sc(C)c1CC
CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc(C)c1CC CCOC(=O)[*:1] CCc1c(C)sc(NC(=O)c2ccc(c(C)c2)[N+](=O)[O-])c1[*:1]
CCCCCC[C@@H](O)[C@H]1CCc2cccnc21 CCC[*:1] O[C@H](CCC[*:1])[C@H]1CCc2cccnc21
CCCCCC[C@@H](O)[C@H]1CCc2cccnc21 CCCCC[*:1] O[C@H](C[*:1])[C@H]1CCc2cccnc21
CCCCCC[C@@H](O)[C@H]1CCc2cccnc21 CCCC[*:1] O[C@H](CC[*:1])[C@H]1CCc2cccnc21
O=C(c1ccc(=O)oc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(=O)oc1)N1CCN(CC1)C(c1ccccc1)[*:1]
O=C(c1ccc(=O)oc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 O=c1ccc(co1)[*:1] O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)NNc3cccc(C)c3)C2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)NN[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)NNc3cccc(C)c3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)NNC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCC[C@H]1O FC(F)(F)[*:1] C=CCOc1ccc(cc1C(=O)NC[C@H]1CCC[C@H]1O)[*:1]
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCC[C@H]1O C=CCO[*:1] O=C(NC[C@H]1CCC[C@H]1O)c1cc(ccc1[*:1])C(F)(F)F
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CCC[C@H]1O C=CC[*:1] O=C(NC[C@H]1CCC[C@H]1O)c1cc(ccc1O[*:1])C(F)(F)F
COc1cccc(-c2ccc(Nc3cccc(C(=O)[O-])c3)[nH+]n2)c1 O=C([O-])[*:1] COc1cccc(c1)-c1ccc(Nc2cccc(c2)[*:1])[nH+]n1
COc1cccc(-c2ccc(Nc3cccc(C(=O)[O-])c3)[nH+]n2)c1 COc1cccc(c1)[*:1] O=C([O-])c1cccc(c1)Nc1ccc(n[nH+]1)[*:1]
O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1n[nH]c(=O)c2ccccc12 C1CC(C1)[*:1] O=C(Nc1ccc2nc([nH]c2c1)[*:1])c1n[nH]c(=O)c2ccccc12
Cc1ccc(C(=O)N[C@@H](C)CCC2CCCC2)cc1[N-]S(C)(=O)=O C1CCC(C1)CC[*:1] Cc1ccc(cc1[N-]S(C)(=O)=O)C(=O)N[C@@H](C)[*:1]
Cc1ccc(C(=O)N[C@@H](C)CCC2CCCC2)cc1[N-]S(C)(=O)=O C1CCC(C1)[*:1] Cc1ccc(cc1[N-]S(C)(=O)=O)C(=O)N[C@@H](C)CC[*:1]
Cc1ccc(C(=O)N[C@@H](C)CCC2CCCC2)cc1[N-]S(C)(=O)=O C1CCC(C1)C[*:1] Cc1ccc(cc1[N-]S(C)(=O)=O)C(=O)N[C@@H](C)C[*:1]
C[C@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
C[C@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
OC[C@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)nc2ncnn12 FC(F)(F)[*:1] OC[C@H]1CCC[C@@H]1Nc1cc(nc2ncnn12)[*:1]
Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)c12 O=[N+]([O-])c1cccc(c1)[*:1] Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)N[*:1])c(=O)c12
Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)c12 c1ccc(cc1)[*:1] Cc1nn(c2[nH]cc(C(=O)Nc3cccc(c3)[N+](=O)[O-])c(=O)c12)[*:1]
Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)c12 O=[N+]([O-])[*:1] Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3cccc(c3)[*:1])c(=O)c12
COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(C)c1C c1cc(ccn1)[*:1] COc1ccccc1NC(=O)CSc1nnc(n1-c1cccc(C)c1C)[*:1]
COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(C)c1C COc1ccccc1[*:1] Cc1cccc(c1C)-n1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(C)c1C Cc1cccc(c1C)[*:1] COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1[*:1]
Cc1nc(N)nc(N2CCO[C@H](c3ccccc3)C2)c1CCC(=O)[O-] O=C([O-])C[*:1] Cc1nc(N)nc(c1C[*:1])N1CCO[C@@H](C1)c1ccccc1
Cc1nc(N)nc(N2CCO[C@H](c3ccccc3)C2)c1CCC(=O)[O-] O=C([O-])[*:1] Cc1nc(N)nc(c1CC[*:1])N1CCO[C@@H](C1)c1ccccc1
Cc1nc(N)nc(N2CCO[C@H](c3ccccc3)C2)c1CCC(=O)[O-] c1ccc(cc1)[*:1] Cc1nc(N)nc(c1CCC(=O)[O-])N1CCO[C@H](C1)[*:1]
Cc1nc(N)nc(N2CCO[C@H](c3ccccc3)C2)c1CCC(=O)[O-] O=C([O-])CC[*:1] Cc1nc(N)nc(c1[*:1])N1CCO[C@@H](C1)c1ccccc1
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CCO)cc2)s1 OCC[*:1] O=[N+]([O-])c1ccc(s1)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CCO)cc2)s1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1ccc(cc1)CCO)c1ccc(s1)[*:1]
COC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O COC(=O)[*:1] Cc1c(C[*:1])c(=O)oc2cc(O)cc(O)c12
COC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O COC(=O)C[*:1] Cc1c(c(=O)oc2cc(O)cc(O)c12)[*:1]
CCC[C@@H](C(=O)N1C[C@@H](C)OCC1(C)C)C(C)C CC(C)[*:1] CCC[C@@H](C(=O)N1C[C@@H](C)OCC1(C)C)[*:1]
CCC[C@@H](C(=O)N1C[C@@H](C)OCC1(C)C)C(C)C CCC[*:1] CC(C)[C@H](C(=O)N1C[C@@H](C)OCC1(C)C)[*:1]
CC(C)CC[S@@](=O)Cc1nn(-c2ccccc2)c2c1CCC2 CC(C)CC[*:1] O=[S@@](Cc1nn(-c2ccccc2)c2CCCc12)[*:1]
CC(C)CC[S@@](=O)Cc1nn(-c2ccccc2)c2c1CCC2 CC(C)[*:1] O=[S@](CC[*:1])Cc1nn(-c2ccccc2)c2CCCc12
CC(C)CC[S@@](=O)Cc1nn(-c2ccccc2)c2c1CCC2 CC(C)C[*:1] O=[S@@](Cc1nn(-c2ccccc2)c2CCCc12)C[*:1]
CC(C)CC[S@@](=O)Cc1nn(-c2ccccc2)c2c1CCC2 c1ccc(cc1)[*:1] CC(C)CC[S@@](=O)Cc1nn(c2CCCc12)[*:1]
CC[C@@H](C)[C@@H](N)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 CC[C@@H](C)[*:1] N[C@@H](C(=O)Oc1ccc2c(=O)c(coc2c1)Oc1ccccc1)[*:1]
CC[C@@H](C)[C@@H](N)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](N)C(=O)Oc1ccc2c(=O)c(coc2c1)O[*:1]
CC[C@@H](C)[C@@H](N)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 c1ccc(cc1)O[*:1] CC[C@@H](C)[C@@H](N)C(=O)Oc1ccc2c(=O)c(coc2c1)[*:1]
CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1C[C@@H]1C FC(F)(F)[*:1] CC(C)N(CC(=O)Nc1ccccc1[*:1])C(=O)[C@H]1C[C@@H]1C
CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1C[C@@H]1C CC(C)[*:1] C[C@H]1C[C@@H]1C(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)[*:1]
O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc(O)c(Cl)c1 Oc1ccc(cc1Cl)[*:1] O=C(c1ccncc1)N1CCC(CC1)NC(=O)[*:1]
O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc(O)c(Cl)c1 c1cc(ccn1)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])c1ccc(O)c(Cl)c1
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cc(cc(c1)C(=O)NNC(=O)c1cc(nc2ccccc12)[*:1])NC(C)=O
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)NNC(=O)c1cc(nc2ccccc12)-c1ccccc1
Cc1ccc(CN(Cc2cc3ccc(C)cc3n3nnnc23)C(=O)C2CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2cc(CN(C[*:1])C(=O)C3CC3)c3nnnn3c2c1
Cc1ccc(CN(Cc2cc3ccc(C)cc3n3nnnc23)C(=O)C2CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc2cc(CN(C(=O)C3CC3)[*:1])c3nnnn3c2c1
Cc1ccc(CN(Cc2cc3ccc(C)cc3n3nnnc23)C(=O)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)CN(Cc1cc2ccc(C)cc2n2nnnc12)C(=O)[*:1]
Cc1cnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)s1 Cc1cnc(s1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CSc1cccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)c1 CSc1cccc(c1)[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)N[*:1]
CSc1cccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)c1 CN(C)S(=O)(=O)[*:1] CSc1cccc(c1)NC(=O)CCn1nnc2cc(ccc21)[*:1]
CSC[C@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CSC[C@H](c1ccccc1)[*:1]
CSC[C@H](C(=O)[O-])c1ccccc1 CSC[*:1] O=C([O-])[C@H](c1ccccc1)[*:1]
O=C(C=C1CCSCC1)NCc1ccccc1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(C=C1CCSCC1)NCc1ccccc1[*:1]
O=C(C=C1CCSCC1)NCc1ccccc1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(C=C1CCSCC1)NCc1ccccc1C[*:1]
CCc1cc(C(=O)OCc2nncn2C2CC2)n[nH]1 C1CC1[*:1] CCc1cc(n[nH]1)C(=O)OCc1nncn1[*:1]
C[NH2+][C@@H](CCO)[C@H]1CCCC[NH2+]1 OCC[*:1] C[NH2+][C@@H]([C@H]1CCCC[NH2+]1)[*:1]
CC(=O)Nc1cccc(NC(=O)c2ccc(=O)[nH]c2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(=O)[nH]c1
CC(=O)Nc1ccc(OC[C@H](O)CN2CCOc3ccccc32)cc1 CC(=O)N[*:1] O[C@@H](COc1ccc(cc1)[*:1])CN1CCOc2ccccc21
C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)NC(=O)c1ccco1)[*:1]
C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccncc1 O=C(N[*:1])c1ccco1 C[C@@H](NC(=O)NCc1ccc(cc1)[*:1])c1ccncc1
C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccncc1 c1coc(c1)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)NC(=O)[*:1])c1ccncc1
CC[C@H]1CCCN(C(=O)[C@@](C)(N)C(F)(F)F)CC1 FC(F)(F)[*:1] CC[C@H]1CCCN(CC1)C(=O)[C@@](C)(N)[*:1]
COCC(=O)N1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 CC(C)(O)C[*:1] COCC(=O)N1CCCN(CC1)C(=O)c1cccc(c1)C[*:1]
COCC(=O)N1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 CC(C)(O)[*:1] COCC(=O)N1CCCN(CC1)C(=O)c1cccc(c1)CC[*:1]
COCC(=O)N1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 COC[*:1] CC(C)(O)CCc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)[*:1]
COCC(=O)N1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 CC(C)(O)CC[*:1] COCC(=O)N1CCCN(CC1)C(=O)c1cccc(c1)[*:1]
CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])csc2C1 O=C([O-])[*:1] CC(C)(C)[C@H]1CCc2c(csc2C1)C(=O)NNC(=O)[C@H]1CC=CC[C@H]1[*:1]
CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])csc2C1 CC(C)(C)[*:1] O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1csc2C[C@H](CCc12)[*:1]
CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)[*:1]
CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc(OC)c1 CCCC[*:1] COc1cccc(c1)C(=O)N(Cc1cc2ccccc2[nH]c1=O)[*:1]
CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc(OC)c1 CCC[*:1] COc1cccc(c1)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C[*:1]
CCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@H](C)CC1=O)N2 CCS[*:1] C[C@@H]1CC(=O)C2=C(C1)Nc1nc(nn1[C@@H]2c1cccc(Cl)c1)[*:1]
CCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@H](C)CC1=O)N2 Clc1cccc(c1)[*:1] CCSc1nc2NC3C[C@H](C)CC(=O)C=3[C@@H](n2n1)[*:1]
CCc1ccsc1C(=O)N[C@H](C(N)=S)C1CCCCC1 C1CCC(CC1)[*:1] CCc1ccsc1C(=O)N[C@H](C(N)=S)[*:1]
CCc1ccsc1C(=O)N[C@H](C(N)=S)C1CCCCC1 NC(=S)[*:1] CCc1ccsc1C(=O)N[C@H](C1CCCCC1)[*:1]
COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cc(C)c(C)o2)CC1 Cc1cc(oc1C)[*:1] COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](CC1)C[*:1]
COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cc(C)c(C)o2)CC1 COc1ccccc1[*:1] Cc1cc(C[NH+]2CCC(CC2)n2nccc2NC(=O)[*:1])oc1C
CCCCCC[C@H]1[NH+]=C2CCCCN2C1=[NH2+] CCCCC[*:1] [NH2+]=C1[C@@H](C[*:1])[NH+]=C2CCCCN12
CCCCCC[C@H]1[NH+]=C2CCCCN2C1=[NH2+] CCC[*:1] [NH2+]=C1[C@@H](CCC[*:1])[NH+]=C2CCCCN12
CCCCCC[C@H]1[NH+]=C2CCCCN2C1=[NH2+] CCCC[*:1] [NH2+]=C1[C@@H](CC[*:1])[NH+]=C2CCCCN12
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1cccc2nsnc12 c1cc(c2nsnc2c1)[*:1] O=C(Cn1cnc(n1)-c1cccc(c1)[N+](=O)[O-])N[*:1]
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1cccc2nsnc12 O=[N+]([O-])[*:1] O=C(Cn1cnc(n1)-c1cccc(c1)[*:1])Nc1cccc2nsnc12
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)Nc1cccc2nsnc12 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Cn1cnc(n1)[*:1])Nc1cccc2nsnc12
Cc1ccccc1[C@H](C)NC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] Cc1ccccc1[C@H](C)NC[*:1]
Cc1ccccc1[C@H](C)NC/C(Cl)=C/Cl Cl/C=C(\Cl)C[*:1] Cc1ccccc1[C@H](C)N[*:1]
COc1ccc(CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)C2CC2)cc1 FC(F)(F)c1ccc(nc1)[*:1] COc1ccc(cc1)CN(C(=O)c1cnn(c1C)[*:1])C1CC1
COc1ccc(CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)c1cnn(-c2ccc(cn2)C(F)(F)F)c1C)[*:1]
COc1ccc(CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)C2CC2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CN(C(=O)c1cnn(-c2ccc(cn2)[*:1])c1C)C1CC1
COc1ccc(CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)C2CC2)cc1 COc1ccc(cc1)C[*:1] Cc1c(cnn1-c1ccc(cn1)C(F)(F)F)C(=O)N(C1CC1)[*:1]
COc1ccc(CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)C2CC2)cc1 COc1ccc(cc1)[*:1] Cc1c(cnn1-c1ccc(cn1)C(F)(F)F)C(=O)N(C[*:1])C1CC1
CC(C)c1nc(N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)ncc1-c1ccncc1 CC(C)[*:1] O=C(Cc1ccc(F)cc1)NC1CCN(CC1)c1ncc(-c2ccncc2)c(n1)[*:1]
CC(C)c1nc(N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)ncc1-c1ccncc1 c1cc(ccn1)[*:1] CC(C)c1nc(ncc1[*:1])N1CCC(CC1)NC(=O)Cc1ccc(F)cc1
CC(C)c1nc(N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)ncc1-c1ccncc1 Fc1ccc(cc1)C[*:1] CC(C)c1nc(ncc1-c1ccncc1)N1CCC(CC1)NC(=O)[*:1]
CC(C)c1nc(N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)ncc1-c1ccncc1 Fc1ccc(cc1)[*:1] CC(C)c1nc(ncc1-c1ccncc1)N1CCC(CC1)NC(=O)C[*:1]
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21)N[C@H]1CCCc2ccccc21 O=S(=O)(N1CCCCC1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)[*:1])N[C@H]1CCCc2ccccc21
CCOC(=O)/C(C#N)=C(\N)c1ncccn1 CCOC(=O)[*:1] N#CC(=C(N)c1ncccn1)[*:1]
COC(=O)c1ccnc(N2CCC[C@H](C(=O)c3ccccc3OC)C2)c1 COc1ccccc1[*:1] COC(=O)c1ccnc(c1)N1CCC[C@@H](C1)C(=O)[*:1]
COC(=O)c1ccnc(N2CCC[C@H](C(=O)c3ccccc3OC)C2)c1 COC(=O)[*:1] COc1ccccc1C(=O)[C@H]1CCCN(C1)c1cc(ccn1)[*:1]
CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCN(CCO)CC1)CC2 CCC[*:1] Cc1cc(O[*:1])c(C)c2C[C@@H](CCc12)[C@H](C)C(=O)N1CCN(CCO)CC1
CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCN(CCO)CC1)CC2 CCCO[*:1] Cc1cc(c(C)c2C[C@@H](CCc12)[C@H](C)C(=O)N1CCN(CCO)CC1)[*:1]
CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCN(CCO)CC1)CC2 OCC[*:1] CCCOc1cc(C)c2CC[C@H](Cc2c1C)[C@H](C)C(=O)N1CCN(CC1)[*:1]
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2cccc3ccccc23)c2ccc(Cl)cc21 CC(=O)[*:1] O=C1N(CCCOc2cccc3ccccc23)c2ccc(Cl)cc2[C@@]1(O)C[*:1]
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2cccc3ccccc23)c2ccc(Cl)cc21 c1ccc2c(cccc2c1)[*:1] CC(=O)C[C@@]1(O)C(=O)N(CCCO[*:1])c2ccc(Cl)cc21
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2cccc3ccccc23)c2ccc(Cl)cc21 CC(=O)C[*:1] O=C1N(CCCOc2cccc3ccccc23)c2ccc(Cl)cc2[C@]1(O)[*:1]
CCCOc1ncnc(Oc2ccc(Br)c(F)c2)c1N CCC[*:1] Nc1c(ncnc1O[*:1])Oc1ccc(Br)c(F)c1
CCCOc1ncnc(Oc2ccc(Br)c(F)c2)c1N CCCO[*:1] Nc1c(ncnc1[*:1])Oc1ccc(Br)c(F)c1
Cc1cc(C)c([C@H](C)[C@H](C)O)c(C)c1 C[C@H](O)[*:1] Cc1cc(C)c(c(C)c1)[C@H](C)[*:1]
CC(=O)N1c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c(Br)cc2C[C@@H]1C FC(F)(F)[*:1] CC(=O)N1c2cc(c(Br)cc2C[C@@H]1C)S(=O)(=O)[N-]c1cccc(c1)[*:1]
FC(F)(F)c1ccnc(NCCCN2CCOCC2)c1 FC(F)(F)[*:1] c1cc(cc(n1)NCCCN1CCOCC1)[*:1]
FC(F)(F)c1ccnc(NCCCN2CCOCC2)c1 C1CN(CCO1)[*:1] FC(F)(F)c1ccnc(c1)NCCC[*:1]
CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCC2CCCC2)C1 C1CCC(C1)[*:1] CC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)CC[*:1]
CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCC2CCCC2)C1 C1CCC(C1)C[*:1] CC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)C[*:1]
CN(C)C(=O)Cc1cccc(OCC#N)c1 N#CC[*:1] CN(C)C(=O)Cc1cccc(c1)O[*:1]
CN(C)C(=O)Cc1cccc(OCC#N)c1 CN(C)C(=O)[*:1] N#CCOc1cccc(c1)C[*:1]
CN(C)C(=O)Cc1cccc(OCC#N)c1 N#CCO[*:1] CN(C)C(=O)Cc1cccc(c1)[*:1]
O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 c1ccc(CC[*:1])nc1 O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1n[nH]c2ccccc12
O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 c1ccc(C[*:1])nc1 O=C(NC[*:1])[C@@H]1CC(=O)N(C1)c1n[nH]c2ccccc12
O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 c1ccc(nc1)[*:1] O=C(NCC[*:1])[C@@H]1CC(=O)N(C1)c1n[nH]c2ccccc12
CCCCC(=O)N1CSC[C@@H]1C(=O)NCCc1ccccc1F Fc1ccccc1[*:1] CCCCC(=O)N1CSC[C@@H]1C(=O)NCC[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)NCCc1ccccc1F CCCC[*:1] O=C(NCCc1ccccc1F)[C@H]1CSCN1C(=O)[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)NCCc1ccccc1F CCC[*:1] O=C(NCCc1ccccc1F)[C@H]1CSCN1C(=O)C[*:1]
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cc(C(C)C)no1 CC(C)[*:1] C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cc(no1)[*:1]
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cc(C(C)C)no1 C#CC[*:1] CC(C)c1cc(CNC(=O)C(=O)Nc2cc(F)ccc2O[*:1])on1
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cc(C(C)C)no1 C#CCO[*:1] CC(C)c1cc(CNC(=O)C(=O)Nc2cc(F)ccc2[*:1])on1
C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cc(C(C)C)no1 CC(C)c1cc(on1)[*:1] C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[*:1]
O=C([O-])[C@@H]1CC[C@]2(CC[NH2+]C2)C1 O=C([O-])[*:1] C1C[C@]2(CC[C@H](C2)[*:1])C[NH2+]1
CC(=O)NCc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 c1ccc(cc1)[*:1] CC(=O)NCc1ccc(cc1)C(=O)N[C@@H](C1CC1)[*:1]
CC(=O)NCc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 CC(=O)NC[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 CC(=O)N[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 C1CC1[*:1] CC(=O)NCc1ccc(cc1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(Cn2c(=O)c3c(nc(NCCO)n3C)n(C)c2=O)cc1 Cc1ccc(cc1)[*:1] Cn1c(nc2c1c(=O)n(C[*:1])c(=O)n2C)NCCO
Cc1ccc(Cn2c(=O)c3c(nc(NCCO)n3C)n(C)c2=O)cc1 OCCN[*:1] Cc1ccc(cc1)Cn1c(=O)c2c(nc(n2C)[*:1])n(C)c1=O
Cc1ccc(Cn2c(=O)c3c(nc(NCCO)n3C)n(C)c2=O)cc1 Cc1ccc(cc1)C[*:1] Cn1c(nc2c1c(=O)n(c(=O)n2C)[*:1])NCCO
Cc1ccc(Cn2c(=O)c3c(nc(NCCO)n3C)n(C)c2=O)cc1 OCC[*:1] Cc1ccc(cc1)Cn1c(=O)c2c(nc(N[*:1])n2C)n(C)c1=O
Cc1cc(C)cc(NC(=S)NC(=O)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] Cc1cc(C)cc(c1)NC(=S)NC(=O)[*:1]
O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 c1ccc2[nH]c(nc2c1)[*:1] O=C(c1cccc(c1)OC[C@@H]1CCCO1)N1CCC[C@H](C1)[*:1]
O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 C1CO[C@@H](C1)C[*:1] O=C(c1cccc(c1)O[*:1])N1CCC[C@@H](C1)c1nc2ccccc2[nH]1
O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 C1CO[C@@H](C1)[*:1] O=C(c1cccc(c1)OC[*:1])N1CCC[C@@H](C1)c1nc2ccccc2[nH]1
O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 C1CO[C@@H](C1)CO[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@@H](C1)c1nc2ccccc2[nH]1
CCCc1nc2nc3c(cn2n1)C(=O)CC(C)(C)C3 CCC[*:1] CC1(C)CC(=O)c2cn3nc(nc3nc2C1)[*:1]
CC(C)(C(=O)NCc1cc(=O)[nH]c2ccccc12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C(=O)NCc1cc(=O)[nH]c2ccccc12)[*:1]
CCCCCC(=O)n1nc(C)c(CC(C)C)c1C CC(C)C[*:1] CCCCCC(=O)n1nc(C)c(c1C)[*:1]
CCCCCC(=O)n1nc(C)c(CC(C)C)c1C CCCC[*:1] Cc1nn(C(=O)C[*:1])c(C)c1CC(C)C
CCCCCC(=O)n1nc(C)c(CC(C)C)c1C CC(C)[*:1] CCCCCC(=O)n1nc(C)c(C[*:1])c1C
CCCCCC(=O)n1nc(C)c(CC(C)C)c1C CCC[*:1] Cc1nn(C(=O)CC[*:1])c(C)c1CC(C)C
CCCCCC(=O)n1nc(C)c(CC(C)C)c1C CCCCC[*:1] Cc1nn(C(=O)[*:1])c(C)c1CC(C)C
C=CCOc1c(OC)cccc1OC C=CCO[*:1] COc1cccc(OC)c1[*:1]
C=CCOc1c(OC)cccc1OC C=CC[*:1] COc1cccc(OC)c1O[*:1]
c1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)cc(OCCN2CCOCC2)c1 C1CN(CCO1)[*:1] c1cc(cc(c1)OCC[*:1])C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2
c1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)cc(OCCN2CCOCC2)c1 C1CN(CCO1)CC[*:1] c1cc(cc(c1)O[*:1])C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2
c1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)cc(OCCN2CCOCC2)c1 C1CN(CCO1)C[*:1] c1cc(cc(c1)OC[*:1])C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2
COC(=O)C1(NC(=O)c2cccnc2Cl)CCSCC1 COC(=O)[*:1] O=C(NC1(CCSCC1)[*:1])c1cccnc1Cl
CN1C(=O)[C@H]2CCCCN2C(=O)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)[C@H]2CCCCN2C(=O)[C@H]1[*:1]
COc1ccc(-c2nc(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cs2)cc1OC COc1ccc(cc1OC)[*:1] O=C(Cc1csc(n1)[*:1])N1CCN(CC1)C(=O)c1ccccc1
COc1ccc(-c2nc(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cs2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nc(cs1)CC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1noc(C)c1CCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1noc(C)c1CCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1[*:1]
Cc1noc(C)c1CCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F Cc1noc(C)c1C[*:1] O=C(C[*:1])N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
Cc1noc(C)c1CCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F Cc1noc(C)c1CC[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[*:1]
Cc1noc(C)c1CCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F Cc1noc(C)c1[*:1] O=C(CC[*:1])N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
C[C@H](Cc1ccsc1)NC(=O)N[C@H]1CCS(=O)(=O)C1 c1cc(cs1)[*:1] C[C@H](C[*:1])NC(=O)N[C@H]1CCS(=O)(=O)C1
C[C@H](Cc1ccsc1)NC(=O)N[C@H]1CCS(=O)(=O)C1 c1cc(cs1)C[*:1] C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)[*:1]
COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC1CC1 O=C(NC1CC1)[*:1] COc1cc(N)c(Cl)cc1C(=O)OC[*:1]
COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC1CC1 C1CC1[*:1] COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N[*:1]
COc1cc(C(=O)N2CCN(c3nccs3)CC2)cc(Cl)c1OC c1csc(n1)[*:1] COc1cc(cc(Cl)c1OC)C(=O)N1CCN(CC1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(C)C)cc1 CC(C)[*:1] Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(cc1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(C)C)cc1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)Nc1ccc(cc1)C(C)C)[*:1]
CCO[C@H]1C[C@H](NC(=O)NCCNC(=O)c2ccc(C)cc2)C12CCC2 Cc1ccc(cc1)[*:1] CCO[C@H]1C[C@H](NC(=O)NCCNC(=O)[*:1])C12CCC2
CCO[C@H]1C[C@H](NC(=O)NCCNC(=O)c2ccc(C)cc2)C12CCC2 CCO[*:1] Cc1ccc(cc1)C(=O)NCCNC(=O)N[C@H]1C[C@@H](C12CCC2)[*:1]
CCOc1ccc([C@@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 CCO[*:1] O[C@H](c1ccc(cc1)[*:1])[C@H](C[NH+]1CCCCC1)c1ccccc1
CCOc1ccc([C@@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H](O)[C@H](C[NH+]1CCCCC1)[*:1]
CCCOC(=O)c1ccc(NC(=O)N2CCO[C@H](C)C2)cc1 CCCOC(=O)[*:1] C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)[*:1]
CCCOC(=O)c1ccc(NC(=O)N2CCO[C@H](C)C2)cc1 CCC[*:1] C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)C(=O)O[*:1]
CS(=O)(=O)CCC[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 CS(=O)(=O)CC[*:1] O=[N+]([O-])c1cc(ccc1Br)C[NH2+]C[*:1]
CS(=O)(=O)CCC[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 CS(=O)(=O)C[*:1] O=[N+]([O-])c1cc(ccc1Br)C[NH2+]CC[*:1]
CS(=O)(=O)CCC[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CS(=O)(=O)CCC[NH2+]Cc1ccc(Br)c(c1)[*:1]
CS(=O)(=O)CCC[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 CS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1Br)C[NH2+]CCC[*:1]
COc1cc(NC(=O)Nc2ccccc2C(F)(F)F)ccc1N1CCCCC1=O FC(F)(F)[*:1] COc1cc(ccc1N1CCCCC1=O)NC(=O)Nc1ccccc1[*:1]
COc1cc(NC(=O)Nc2ccccc2C(F)(F)F)ccc1N1CCCCC1=O O=C1CCCCN1[*:1] COc1cc(ccc1[*:1])NC(=O)Nc1ccccc1C(F)(F)F
CNC(=O)c1ccc(OC)c(NC(=O)N[C@H]2CCC[C@H](C)C2)c1 CNC(=O)[*:1] COc1ccc(cc1NC(=O)N[C@H]1CCC[C@H](C)C1)[*:1]
CC[C@@H](CO)[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 N#Cc1cccc(c1)[*:1] CC[C@@H](CO)[NH+]1CCN(CC1)[C@@H](C)C(=O)N[*:1]
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(cc1)[*:1]
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(-n2cccn2)cc1 C=CC[*:1] C[C@@H](OC(=O)c1ccc(cc1)-n1cccn1)C(=O)N[*:1]
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(-n2cccn2)cc1 C=CCNC(=O)[*:1] C[C@@H](OC(=O)c1ccc(cc1)-n1cccn1)[*:1]
CC(C)c1ccc(S(=O)(=O)NC[C@]2(O)CCOc3ccccc32)cc1 CC(C)[*:1] O=S(=O)(NC[C@]1(O)CCOc2ccccc21)c1ccc(cc1)[*:1]
COC(=O)[C@H]1C[C@@H](O)CCN1Cc1cccc(Cl)c1 COC(=O)[*:1] O[C@H]1CCN(Cc2cccc(Cl)c2)[C@H](C1)[*:1]
CCn1cncc1[C@H]1C(N)=NC(=O)N1CC1CC1 C1CC1C[*:1] CCn1cncc1[C@H]1C(N)=NC(=O)N1[*:1]
CCn1cncc1[C@H]1C(N)=NC(=O)N1CC1CC1 C1CC1[*:1] CCn1cncc1[C@H]1C(N)=NC(=O)N1C[*:1]
CCN(CC#N)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCN(CC#N)CC(=O)N1CCN(CC1)c1ccccc1[*:1]
CCN(CC#N)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 CCN(CC#N)C[*:1] O=C(N1CCN(CC1)c1ccccc1[N+](=O)[O-])[*:1]
CCN(CC#N)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 N#CC[*:1] CCN(CC(=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-])[*:1]
CCN(CC#N)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 CCN(CC#N)[*:1] O=C(C[*:1])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Oc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)O[*:1]
C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)CO1 O=[N+]([O-])[*:1] C[C@H]1CN(Cc2cc(cc3COCOc32)[*:1])C(C)(C)CO1
CCCC(=CC(=O)NCc1nnc2n1CCCC2)CCC CCC[*:1] CCCC(=CC(=O)NCc1nnc2CCCCn21)[*:1]
CC[C@H]1CCc2sc(-c3nn(CN4CCOCC4)c(=S)n3C)cc2C1 C1CN(CCO1)C[*:1] CC[C@H]1CCc2sc(cc2C1)-c1nn(c(=S)n1C)[*:1]
CC[C@H]1CCc2sc(-c3nn(CN4CCOCC4)c(=S)n3C)cc2C1 C1CN(CCO1)[*:1] CC[C@H]1CCc2sc(cc2C1)-c1nn(C[*:1])c(=S)n1C
CCCN1CCO[C@@H](c2noc(CNCC(F)(F)F)n2)C1 CCC[*:1] FC(F)(F)CNCc1nc(no1)[C@H]1CN(CCO1)[*:1]
CCCN1CCO[C@@H](c2noc(CNCC(F)(F)F)n2)C1 FC(F)(F)CN[*:1] CCCN1CCO[C@H](C1)c1noc(C[*:1])n1
CCCN1CCO[C@@H](c2noc(CNCC(F)(F)F)n2)C1 FC(F)(F)C[*:1] CCCN1CCO[C@H](C1)c1noc(CN[*:1])n1
CCCN1CCO[C@@H](c2noc(CNCC(F)(F)F)n2)C1 FC(F)(F)CNC[*:1] CCCN1CCO[C@H](C1)c1noc(n1)[*:1]
CCCN1CCO[C@@H](c2noc(CNCC(F)(F)F)n2)C1 FC(F)(F)[*:1] CCCN1CCO[C@H](C1)c1noc(CNC[*:1])n1
COc1cc(C)nc(N2CCN(C(=O)C[C@@H](C)n3cccc3)CC2)n1 c1ccn(c1)[*:1] COc1cc(C)nc(n1)N1CCN(CC1)C(=O)C[C@@H](C)[*:1]
Cn1cnn(-c2ccc(NCc3c[nH]nc3-c3ccccc3)cc2)c1=O Cn1cnn(c1=O)[*:1] c1ccc(cc1)-c1n[nH]cc1CNc1ccc(cc1)[*:1]
Cn1cnn(-c2ccc(NCc3c[nH]nc3-c3ccccc3)cc2)c1=O c1ccc(cc1)[*:1] Cn1cnn(-c2ccc(cc2)NCc2c[nH]nc2[*:1])c1=O
Cc1cc(C(=O)NNC(=O)c2cnn(C(C)C)c2C)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1c(cnn1C(C)C)C(=O)NNC(=O)[*:1]
Cc1cc(C(=O)NNC(=O)c2cnn(C(C)C)c2C)c(C)o1 CC(C)[*:1] Cc1cc(C(=O)NNC(=O)c2cnn(c2C)[*:1])c(C)o1
CCCOc1ccc(NC(=O)N(C)CCC#N)cc1Cl N#CCC[*:1] CCCOc1ccc(cc1Cl)NC(=O)N(C)[*:1]
CCCOc1ccc(NC(=O)N(C)CCC#N)cc1Cl CCCO[*:1] CN(CCC#N)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCOc1ccc(NC(=O)N(C)CCC#N)cc1Cl CCC[*:1] CN(CCC#N)C(=O)Nc1ccc(O[*:1])c(Cl)c1
CCCOc1ccc(NC(=O)N(C)CCC#N)cc1Cl N#CC[*:1] CCCOc1ccc(cc1Cl)NC(=O)N(C)C[*:1]
Cc1cc(=O)[nH]c(=O)n1COCCCCCl ClCCC[*:1] Cc1cc(=O)[nH]c(=O)n1COC[*:1]
Cc1cc(=O)[nH]c(=O)n1COCCCCCl ClCC[*:1] Cc1cc(=O)[nH]c(=O)n1COCC[*:1]
Cc1cc(=O)[nH]c(=O)n1COCCCCCl ClCCCC[*:1] Cc1cc(=O)[nH]c(=O)n1CO[*:1]
CC[NH2+]C[C@@H](CCC(C)(C)C)c1cccc(F)c1 CC(C)(C)C[*:1] CC[NH2+]C[C@@H](C[*:1])c1cccc(F)c1
CC[NH2+]C[C@@H](CCC(C)(C)C)c1cccc(F)c1 CC(C)(C)[*:1] CC[NH2+]C[C@@H](CC[*:1])c1cccc(F)c1
CC[NH2+]C[C@@H](CCC(C)(C)C)c1cccc(F)c1 CC(C)(C)CC[*:1] CC[NH2+]C[C@@H](c1cccc(F)c1)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccccc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)N(C)[C@H](C)c1ccccc1Cl)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1ccccc1Cl Clc1ccccc1[*:1] COc1ccc(cc1C(=O)N(C)[C@H](C)[*:1])[N+](=O)[O-]
Cc1cc(NC(=O)C(=O)N2CC=C(c3ccccc3Cl)CC2)nn1C Clc1ccccc1[*:1] Cc1cc(nn1C)NC(=O)C(=O)N1CC=C(CC1)[*:1]
Cc1cc(NC(=O)C(=O)N2CC=C(c3ccccc3Cl)CC2)nn1C Cc1cc(nn1C)[*:1] O=C(N[*:1])C(=O)N1CC=C(CC1)c1ccccc1Cl
COC(=O)CNc1cc(C)nc2nc(-c3cccc(C)c3)nn12 COC(=O)C[*:1] Cc1cccc(c1)-c1nc2nc(C)cc(N[*:1])n2n1
COC(=O)CNc1cc(C)nc2nc(-c3cccc(C)c3)nn12 COC(=O)[*:1] Cc1cccc(c1)-c1nc2nc(C)cc(NC[*:1])n2n1
COC(=O)CNc1cc(C)nc2nc(-c3cccc(C)c3)nn12 COC(=O)CN[*:1] Cc1cccc(c1)-c1nc2nc(C)cc(n2n1)[*:1]
COC(=O)CNc1cc(C)nc2nc(-c3cccc(C)c3)nn12 Cc1cccc(c1)[*:1] COC(=O)CNc1cc(C)nc2nc(nn12)[*:1]
C[C@@H]1SCCC[C@@]12C[NH+]=C(N)N2C1CCCC1 C1CCC(C1)[*:1] C[C@@H]1SCCC[C@@]12C[NH+]=C(N)N2[*:1]
COc1ccccc1[C@@H](C)N(C)C(=O)[C@@H]1SCCc2ccccc21 COc1ccccc1[*:1] C[C@@H](N(C)C(=O)[C@@H]1SCCc2ccccc21)[*:1]
CCC(C)(C)NC(=O)CNc1cccc(NC(=O)OC)c1 CCC(C)(C)[*:1] COC(=O)Nc1cccc(c1)NCC(=O)N[*:1]
CCC(C)(C)NC(=O)CNc1cccc(NC(=O)OC)c1 COC(=O)N[*:1] CCC(C)(C)NC(=O)CNc1cccc(c1)[*:1]
CCOC(=O)c1csc([N-]S(=O)(=O)c2cccc3ccccc23)n1 CCOC(=O)[*:1] O=S(=O)([N-]c1nc(cs1)[*:1])c1cccc2ccccc12
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccccc1 CCOC(=O)[*:1] COc1cc2[nH]c(c(NC(=O)c3ccccc3)c2cc1OC)[*:1]
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1[nH]c2cc(OC)c(cc2c1NC(=O)[*:1])OC
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 CCOC(=O)c1[nH]c2cc(OC)c(cc2c1[*:1])OC
C=CCn1cc(CC)cc1C(=O)[O-] O=C([O-])[*:1] C=CCn1cc(cc1[*:1])CC
C=CCn1cc(CC)cc1C(=O)[O-] C=CC[*:1] CCc1cc(C(=O)[O-])n(c1)[*:1]
C#CCCOc1ccc(C)nc1C=O C#CCC[*:1] Cc1ccc(O[*:1])c(C=O)n1
C#CCCOc1ccc(C)nc1C=O C#CC[*:1] Cc1ccc(OC[*:1])c(C=O)n1
CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1oc(C)nc1C Cc1nc(C)c(o1)[*:1] CCN(Cc1ccc(OC)c(c1)OC)C(=O)[*:1]
COC(=O)[C@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CN1S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H]1C[C@H](CN1S(=O)(=O)c1ccc(C)cc1)OS(=O)(=O)[*:1]
COC(=O)[C@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CN1S(=O)(=O)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)O[C@@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(C)cc1)[*:1]
COC(=O)[C@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CN1S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H]1C[C@H](CN1S(=O)(=O)[*:1])OS(=O)(=O)c1ccc(C)cc1
CSc1nc(C)c(CCC(=O)NCC(C)(C)C(N)=O)c(C)n1 CC(C)(C(N)=O)[*:1] CSc1nc(C)c(CCC(=O)NC[*:1])c(C)n1
CSc1nc(C)c(CCC(=O)NCC(C)(C)C(N)=O)c(C)n1 NC(=O)[*:1] CSc1nc(C)c(CCC(=O)NCC(C)(C)[*:1])c(C)n1
CSc1nc(C)c(CCC(=O)NCC(C)(C)C(N)=O)c(C)n1 CC(C)(C[*:1])C(N)=O CSc1nc(C)c(CCC(=O)N[*:1])c(C)n1
Cc1nc2nc(NC(=O)C3CCCCC3)nn2c(C)c1Cl C1CCC(CC1)[*:1] Cc1nc2nc(nn2c(C)c1Cl)NC(=O)[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)c2cccc(-c3noc(C)n3)c2)cc1 COc1ccc(cc1)[*:1] Cc1nc(no1)-c1cccc(c1)C(=O)N[C@@H](C)[C@H](O)[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)c2cccc(-c3noc(C)n3)c2)cc1 Cc1nc(no1)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)NC(=O)c1cccc(c1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NCc2ncc(-c3ccccc3)s2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NCc1ncc(s1)[*:1]
C[C@H](Cc1nnc(NC(=O)CC(C)(C)C)s1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cc1nnc(NC(=O)CC(C)(C)C)s1)[*:1]
C[C@H](Cc1nnc(NC(=O)CC(C)(C)C)s1)c1ccccc1 CC(C)(C)[*:1] C[C@H](Cc1nnc(NC(=O)C[*:1])s1)c1ccccc1
C[C@H](Cc1nnc(NC(=O)CC(C)(C)C)s1)c1ccccc1 CC(C)(C)C[*:1] C[C@H](Cc1nnc(NC(=O)[*:1])s1)c1ccccc1
CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(c3ccccc3)CC2)c(C)c1 c1ccc(cc1)[*:1] CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(CC2)[*:1])c(C)c1
CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(c3ccccc3)CC2)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)C(=O)N1CCC(CC1)c1ccccc1)[*:1]
CCCCN/C([O-])=N/S(=O)(=O)c1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] CCCCN/C([O-])=N/S(=O)(=O)c1ccccc1[*:1]
CCCCN/C([O-])=N/S(=O)(=O)c1ccccc1-c1ccccc1 CCCC[*:1] O=S(=O)(/N=C(\[O-])N[*:1])c1ccccc1-c1ccccc1
CCCCN/C([O-])=N/S(=O)(=O)c1ccccc1-c1ccccc1 CCC[*:1] O=S(=O)(/N=C(\[O-])NC[*:1])c1ccccc1-c1ccccc1
C[C@@H]1Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2NC1=O c1ccc(cc1)[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)c1cn(nc1-c1cccnc1)[*:1]
C[C@@H]1Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2NC1=O c1cncc(c1)[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)c1cn(nc1[*:1])-c1ccccc1
Cc1c(CN2Cc3ccccc3N(C)C[C@@H]2C)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(CN2Cc3ccccc3N(C)C[C@@H]2C)c(=O)n(n1C)[*:1]
O=C(Nc1ccnc2c(F)cc(F)cc12)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccnc2c(F)cc(F)cc12)c1cccc(c1)[*:1]
CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1 c1ccc(cc1)O[*:1] CC[C@H](C(=O)Nc1cccc(c1)C(=O)Nc1ccccc1)[*:1]
CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1 O=C(Nc1ccccc1)[*:1] CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@H](O[*:1])C(=O)Nc1cccc(c1)C(=O)Nc1ccccc1
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(Cl)ccc1O[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 C[C@@H](c1cccnc1)[*:1] CN(C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] C[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(Cl)ccc1[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 c1cncc(c1)[*:1] C[C@@H](N(C)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(Cl)ccc1OC[*:1]
Cc1cnc(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)n1 Cc1cnc(C)c(n1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
Cc1cnc(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)n1 CC(C)(C)[*:1] Cc1cnc(C)c(n1)N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[NH+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1cc(F)ccc1F)C[*:1]
CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1nc2ccccc2n1C CC[C@@H](C)[*:1] C[C@H]([NH2+]C[C@@](C)(O)[*:1])c1nc2ccccc2n1C
Cc1ccccc1N1CCN(CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)CC1 Fc1ccc(cc1)[*:1] Cc1ccccc1N1CCN(CC1)CN1C(=O)[C@@H](C)N(C1=O)[*:1]
Cc1ccccc1N1CCN(CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)CC1 Cc1ccccc1[*:1] C[C@@H]1C(=O)N(CN2CCN(CC2)[*:1])C(=O)N1c1ccc(F)cc1
COc1ccc(-c2[nH+]nc(Nc3ccc(OC)c(C(N)=O)c3)c3ccccc23)cc1 NC(=O)[*:1] COc1ccc(cc1)-c1[nH+]nc(Nc2ccc(OC)c(c2)[*:1])c2ccccc12
COc1ccc(-c2[nH+]nc(Nc3ccc(OC)c(C(N)=O)c3)c3ccccc23)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1C(N)=O)Nc1n[nH+]c(c2ccccc12)[*:1]
Cc1ccc(C2=C[C@@H]3C(=O)N=N[C@H](SCc4nc(-c5ccc(C)cc5)oc4C)N3N2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(CS[C@H]2N=NC(=O)[C@H]3C=C(NN23)[*:1])c(C)o1
Cc1ccc(C2=C[C@@H]3C(=O)N=N[C@H](SCc4nc(-c5ccc(C)cc5)oc4C)N3N2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@H](SCc3nc(oc3C)[*:1])N2N1
CCOC(=O)CCNC(=O)NCc1ccc(Cl)c(Cl)c1 CCOC(=O)C[*:1] O=C(NCc1ccc(Cl)c(Cl)c1)NC[*:1]
CCOC(=O)CCNC(=O)NCc1ccc(Cl)c(Cl)c1 CCOC(=O)[*:1] O=C(NCC[*:1])NCc1ccc(Cl)c(Cl)c1
CC(C)(C)OC(=O)C1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 CC(C)(C)[*:1] O=C(O[*:1])C1CCC(CC1)Nc1ccc(nc1)[N+](=O)[O-]
CC(C)(C)OC(=O)C1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)C1CCC(CC1)Nc1ccc(nc1)[*:1]
CC(C)(C)OC(=O)C1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 CC(C)(C)OC(=O)[*:1] O=[N+]([O-])c1ccc(cn1)NC1CCC(CC1)[*:1]
Nc1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] Nc1cccc(c1F)[*:1]
COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(Cl)cc1Cl Cc1ccccc1[*:1] COc1cc(=O)n(nc1C(=O)Nc1ccc(Cl)cc1Cl)[*:1]
COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COc1cc(=O)n(nc1C(=O)N[*:1])-c1ccccc1C
CN(CCCS(C)(=O)=O)C(=O)CCn1cnc2sccc2c1=O CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)CCn1cnc2sccc2c1=O
CN(CCCS(C)(=O)=O)C(=O)CCn1cnc2sccc2c1=O CS(=O)(=O)CCC[*:1] CN(C(=O)CCn1cnc2sccc2c1=O)[*:1]
CN(CCCS(C)(=O)=O)C(=O)CCn1cnc2sccc2c1=O CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)CCn1cnc2sccc2c1=O
CN(CCCS(C)(=O)=O)C(=O)CCn1cnc2sccc2c1=O CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)CCn1cnc2sccc2c1=O
CC(C)[NH2+][C@H](C)[C@H](C)c1cccs1 CC(C)[*:1] C[C@H](c1cccs1)[C@@H](C)[NH2+][*:1]
CCS(=O)(=O)N1CCC(NC(=O)/C=C(/C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)C=C(C)[*:1]
CSCC[C@@H](C(=O)Nc1ccc(-n2cnnn2)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O CSC[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)[C@H](C[*:1])N1C(=O)[C@H]2CCCC[C@@H]2C1=O
CSCC[C@@H](C(=O)Nc1ccc(-n2cnnn2)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O c1nnnn1[*:1] CSCC[C@@H](C(=O)Nc1ccc(cc1)[*:1])N1C(=O)[C@H]2CCCC[C@@H]2C1=O
CSCC[C@@H](C(=O)Nc1ccc(-n2cnnn2)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O CSCC[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)[C@@H](N1C(=O)[C@H]2CCCC[C@@H]2C1=O)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1 c1ccn(c1)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)c1ccc(c(F)c1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(c(F)c1)-n1cccc1)[C@H](O)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])NCc2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])NCc1ccc2OCOc2c1)[*:1]
CC(C)[C@H](CC[C@H](C)C(=O)[O-])C(=O)[O-] CC(C)[*:1] C[C@@H](CC[C@H](C(=O)[O-])[*:1])C(=O)[O-]
CC(C)[C@H](CC[C@H](C)C(=O)[O-])C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](CC[C@H](C)C(=O)[O-])[*:1]
CC(C)[C@H](CC[C@H](C)C(=O)[O-])C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](CC[C@H](C)[*:1])C(=O)[O-]
CC(C)[C@@H](Sc1ncc[nH]1)C(=O)Nc1ccccc1C(F)(F)F c1c[nH]c(n1)S[*:1] CC(C)[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[*:1]
CC(C)[C@@H](Sc1ncc[nH]1)C(=O)Nc1ccccc1C(F)(F)F c1c[nH]c(n1)[*:1] CC(C)[C@@H](S[*:1])C(=O)Nc1ccccc1C(F)(F)F
CC(C)[C@@H](Sc1ncc[nH]1)C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] CC(C)[C@@H](Sc1ncc[nH]1)C(=O)Nc1ccccc1[*:1]
CC(C)[C@@H](Sc1ncc[nH]1)C(=O)Nc1ccccc1C(F)(F)F CC(C)[*:1] O=C(Nc1ccccc1C(F)(F)F)[C@H](Sc1ncc[nH]1)[*:1]
CCOC(=O)c1cnn2c1ncc1c(=O)n(-c3ccc(O)cc3)ccc12 Oc1ccc(cc1)[*:1] CCOC(=O)c1cnn2c1ncc1c(=O)n(ccc12)[*:1]
CCOC(=O)c1cnn2c1ncc1c(=O)n(-c3ccc(O)cc3)ccc12 CCOC(=O)[*:1] O=c1c2cnc3c(cnn3c2ccn1-c1ccc(O)cc1)[*:1]
O=C(CC1CCCC1)N1CCCC[C@H]1[C@H]1CCCC[C@@H]1O O[C@H]1CCCC[C@@H]1[*:1] O=C(CC1CCCC1)N1CCCC[C@@H]1[*:1]
O=C(CC1CCCC1)N1CCCC[C@H]1[C@H]1CCCC[C@@H]1O C1CCC(C1)[*:1] O=C(C[*:1])N1CCCC[C@H]1[C@H]1CCCC[C@@H]1O
O=C(CC1CCCC1)N1CCCC[C@H]1[C@H]1CCCC[C@@H]1O C1CCC(C1)C[*:1] O=C(N1CCCC[C@H]1[C@H]1CCCC[C@@H]1O)[*:1]
Cc1nc(C[NH+]2CCN(Cc3nc(-c4ccsc4)no3)CC2)no1 Cc1nc(no1)[*:1] c1cc(cs1)-c1noc(CN2CC[NH+](CC2)C[*:1])n1
Cc1nc(C[NH+]2CCN(Cc3nc(-c4ccsc4)no3)CC2)no1 Cc1nc(C[*:1])no1 c1cc(cs1)-c1noc(CN2CC[NH+](CC2)[*:1])n1
Cc1nc(C[NH+]2CCN(Cc3nc(-c4ccsc4)no3)CC2)no1 c1cc(cs1)[*:1] Cc1nc(C[NH+]2CCN(CC2)Cc2nc(no2)[*:1])no1
Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1C O=c1[nH]c(nc2ccccc12)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N1CCN(CC1)[C@H](C)[*:1]
Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1C Cc1c(C)c(C)c(c(C)c1C)[*:1] C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(NC(=O)CCNC(=O)c2ccoc2)cc1 c1cc(co1)[*:1] COc1ccc(cc1)NC(=O)CCNC(=O)[*:1]
COc1ccc(C(=O)Nc2nc(CC(=O)N3CCC[C@@H](C)C3)cs2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)Cc1csc(n1)NC(=O)[*:1]
c1coc(CC[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 c1coc(c1)C[*:1] C1C[C@H](C[C@]2(CCSC2)O1)[NH2+]C[*:1]
c1coc(CC[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 c1coc(c1)[*:1] C(C[*:1])[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1
CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 c1ccc2c(c[nH]c2c1)[*:1] CNC(=O)NC(=O)[C@@H](C)Sc1nnc(n1-c1cccc(C)c1)[*:1]
CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 Cc1cccc(c1)[*:1] CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1[*:1]
CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 CNC(=O)NC(=O)[*:1] Cc1cccc(c1)-n1c(nnc1-c1c[nH]c2ccccc12)S[C@H](C)[*:1]
Cc1cn2c3ccccc3nc2n1CCCCl ClCC[*:1] Cc1cn2c3ccccc3nc2n1C[*:1]
Cc1cn2c3ccccc3nc2n1CCCCl ClCCC[*:1] Cc1cn2c3ccccc3nc2n1[*:1]
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCC[C@@H]2CCCC[C@H]21 CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1/C=C/C(=O)N1CCC[C@@H]2CCCC[C@H]21
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCC[C@@H]2CCCC[C@H]21 CC(C)C[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)N1CCC[C@@H]2CCCC[C@H]21)[*:1]
O=C([O-])[C@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccn[nH]1 c1cc(C[*:1])[nH]n1 O=C([O-])[C@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)[*:1]
O=C([O-])[C@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccn[nH]1 O=C([O-])[*:1] O=C(Cc1ccn[nH]1)N1[C@H]2CCCC[C@H]2CC[C@@H]1[*:1]
O=C([O-])[C@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccn[nH]1 c1cc([nH]n1)[*:1] O=C([O-])[C@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)C[*:1]
Cn1c(CSCCCF)nnc1C1CC1 FCCC[*:1] Cn1c(CS[*:1])nnc1C1CC1
Cn1c(CSCCCF)nnc1C1CC1 C1CC1[*:1] Cn1c(CSCCCF)nnc1[*:1]
Cn1c(CSCCCF)nnc1C1CC1 FCCCS[*:1] Cn1c(C[*:1])nnc1C1CC1
Cn1c(CSCCCF)nnc1C1CC1 FCC[*:1] Cn1c(CSC[*:1])nnc1C1CC1
CC(C)[C@@](C)(C#N)NS(=O)(=O)c1ccc(C#N)cc1F CC(C)[*:1] C[C@@](C#N)(NS(=O)(=O)c1ccc(C#N)cc1F)[*:1]
O=C(CCl)NCc1ccc(C(=O)c2ccc(F)cc2)o1 O=C(CCl)NC[*:1] O=C(c1ccc(F)cc1)c1ccc(o1)[*:1]
O=C(CCl)NCc1ccc(C(=O)c2ccc(F)cc2)o1 O=C(CCl)N[*:1] O=C(c1ccc(F)cc1)c1ccc(C[*:1])o1
CCc1nnc2n1C[C@@H](C[NH2+]Cc1ccc(C)o1)CC2 Cc1ccc(o1)[*:1] CCc1nnc2CC[C@H](C[NH2+]C[*:1])Cn12
Cc1ccc(C(=O)N2CCCC[C@H]2c2ccccn2)cc1N1CCNC1=O c1ccc(nc1)[*:1] Cc1ccc(cc1N1CCNC1=O)C(=O)N1CCCC[C@@H]1[*:1]
Cc1ccc(C(=O)N2CCCC[C@H]2c2ccccn2)cc1N1CCNC1=O O=C1NCCN1[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCCC[C@H]1c1ccccn1
Nc1nc(CN2CCN(c3ncccn3)CC2)nc(NCc2ccccc2)n1 c1cnc(nc1)[*:1] Nc1nc(CN2CCN(CC2)[*:1])nc(n1)NCc1ccccc1
Nc1nc(CN2CCN(c3ncccn3)CC2)nc(NCc2ccccc2)n1 c1ccc(cc1)C[*:1] Nc1nc(CN2CCN(CC2)c2ncccn2)nc(n1)N[*:1]
Nc1nc(CN2CCN(c3ncccn3)CC2)nc(NCc2ccccc2)n1 c1ccc(cc1)[*:1] Nc1nc(CN2CCN(CC2)c2ncccn2)nc(n1)NC[*:1]
Nc1nc(CN2CCN(c3ncccn3)CC2)nc(NCc2ccccc2)n1 c1ccc(cc1)CN[*:1] Nc1nc(CN2CCN(CC2)c2ncccn2)nc(n1)[*:1]
C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3ccccc3OC)cc21 C=CC[*:1] COc1ccccc1CNC(=O)c1ccc2Sc3ccccc3C(=O)N(c2c1)[*:1]
C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3ccccc3OC)cc21 COc1ccccc1[*:1] C=CCN1C(=O)c2ccccc2Sc2ccc(cc21)C(=O)NC[*:1]
C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3ccccc3OC)cc21 COc1ccccc1C[*:1] C=CCN1C(=O)c2ccccc2Sc2ccc(cc21)C(=O)N[*:1]
C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O Clc1ccc(c(Cl)c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCC(CC2)Cc2ccccc2)C1=O)[*:1]
C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O c1ccc(cc1)C[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCC(CC2)[*:1])C1=O)c1ccc(Cl)cc1Cl
C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCC(CC2)C[*:1])C1=O)c1ccc(Cl)cc1Cl
O=C(NC[C@H]1COc2ccccc2O1)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1COc2ccccc2O1)NNC(=O)[*:1]
CCOc1cc(NC(=O)C(=O)NC[C@H](C)c2ccsc2)ccc1C c1cc(cs1)[*:1] CCOc1cc(ccc1C)NC(=O)C(=O)NC[C@H](C)[*:1]
CCOc1cc(NC(=O)C(=O)NC[C@H](C)c2ccsc2)ccc1C CCO[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)NC[C@H](C)c1ccsc1
Cc1cc([C@H](C)NC(=O)NCCC(=O)N2CCCCC2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)NCCC(=O)N1CCCCC1)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)[C@H]1Cc2ccccc2O1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)[C@H]1Cc2ccccc2O1
CN(C[C@@H](O)C1CC1)C(=O)[C@H]1Cc2ccccc2O1 O[C@@H](C1CC1)[*:1] CN(C[*:1])C(=O)[C@H]1Cc2ccccc2O1
CN(C[C@@H](O)C1CC1)C(=O)[C@H]1Cc2ccccc2O1 O[C@H](C[*:1])C1CC1 CN(C(=O)[C@H]1Cc2ccccc2O1)[*:1]
O=C(/C=C/c1ccco1)NNC(=O)c1ccco1 c1coc(c1)[*:1] O=C(C=C[*:1])NNC(=O)c1ccco1
O=C(/C=C/c1ccco1)NNC(=O)c1ccco1 c1coc(c1)[*:1] O=C(/C=C/c1ccco1)NNC(=O)[*:1]
COC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2C1=O Cc1cccc(c1)[*:1] COC[C@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2C1=O COC[*:1] Cc1cccc(c1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)[*:1]
CN(C)C(=O)CN1CCC[C@@H]([NH+](C)C)C1 CN(C)C(=O)[*:1] C[NH+](C)[C@@H]1CCCN(C1)C[*:1]
Cc1cc(OCC(C)(C)C[NH3+])ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCC(C)(C)C[NH3+]
COc1cccc(N2CCN(C(=O)Cn3cnc4cc(OC)c(OC)cc4c3=O)CC2)c1 COc1cccc(c1)[*:1] COc1cc2ncn(CC(=O)N3CCN(CC3)[*:1])c(=O)c2cc1OC
CCc1[nH]ncc1C[NH2+]C1CC1 C1CC1[*:1] CCc1[nH]ncc1C[NH2+][*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C([O-])c1cc(ccc1NS(=O)(=O)[*:1])N1CCCCCC1
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1[*:1])N1CCCCCC1
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 C1CCCN(CC1)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C(=O)[O-])[*:1]
CN1CCO[C@](c2ccccc2)(C(O)(c2ccccc2)c2ccccc2)C1=O c1ccc(cc1)[*:1] CN1CCO[C@](C1=O)(c1ccccc1)C(O)(c1ccccc1)[*:1]
CN1CCO[C@](c2ccccc2)(C(O)(c2ccccc2)c2ccccc2)C1=O c1ccc(cc1)[*:1] CN1CCO[C@@](C1=O)(C(O)(c1ccccc1)c1ccccc1)[*:1]
Cc1nccn1Cc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1nccn1Cc1ccc(cc1)NC(=O)[C@H](C)[*:1]
Cc1nccn1Cc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc1 Cc1nccn1[*:1] C[C@@H](C(=O)Nc1ccc(cc1)C[*:1])S(C)(=O)=O
Cc1nccn1Cc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc1 Cc1nccn1C[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])S(C)(=O)=O
O=C(NNC(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 Clc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])N[C@@H]1CCCc2ccccc21
CN(Cc1nccs1)C(=O)NCC(C)(C)c1ccccc1F c1csc(C[*:1])n1 CN(C(=O)NCC(C)(C)c1ccccc1F)[*:1]
CN(Cc1nccs1)C(=O)NCC(C)(C)c1ccccc1F Fc1ccccc1[*:1] CN(Cc1nccs1)C(=O)NCC(C)(C)[*:1]
CN(Cc1nccs1)C(=O)NCC(C)(C)c1ccccc1F c1csc(n1)[*:1] CN(C[*:1])C(=O)NCC(C)(C)c1ccccc1F
O=C(NCc1ccccn1)[C@H]1CCCN(C(=O)c2cc3ccsc3n2Cc2cccc(Cl)c2)C1 c1ccc(nc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1cc2ccsc2n1Cc1cccc(Cl)c1
O=C(NCc1ccccn1)[C@H]1CCCN(C(=O)c2cc3ccsc3n2Cc2cccc(Cl)c2)C1 O=C(NCc1ccccn1)[*:1] O=C(c1cc2ccsc2n1Cc1cccc(Cl)c1)N1CCC[C@@H](C1)[*:1]
O=C(NCc1ccccn1)[C@H]1CCCN(C(=O)c2cc3ccsc3n2Cc2cccc(Cl)c2)C1 Clc1cccc(c1)C[*:1] O=C(NCc1ccccn1)[C@H]1CCCN(C1)C(=O)c1cc2ccsc2n1[*:1]
O=C(NCc1ccccn1)[C@H]1CCCN(C(=O)c2cc3ccsc3n2Cc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(NCc1ccccn1)[C@H]1CCCN(C1)C(=O)c1cc2ccsc2n1C[*:1]
O=C(NCc1ccccn1)[C@H]1CCCN(C(=O)c2cc3ccsc3n2Cc2cccc(Cl)c2)C1 c1ccc(C[*:1])nc1 O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cc2ccsc2n1Cc1cccc(Cl)c1
CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 CC[C@H](C)[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)Cc1nc(N)c2ccccc2n1
CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 CC[C@H](C)NC(=O)[*:1] C[C@@H]([NH+]1CCN(CC1)Cc1nc(N)c2ccccc2n1)[*:1]
CC(C)C(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 Fc1cccc(c1F)[*:1] CC(C)C(=O)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
CC(C)C(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 CC(C)[*:1] O=C1N(CCC[C@]12CCN(C2)C(=O)[*:1])Cc1cccc(F)c1F
Cc1cc(NC(=O)CSC2CCCC2)on1 C1CCC(C1)[*:1] Cc1cc(NC(=O)CS[*:1])on1
C[C@@H](NC(=O)Cc1ccc2c(c1)CCO2)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](NC(=O)Cc1ccc2OCCc2c1)C(=O)N[*:1]
CCC(=O)NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC(=O)NC(=S)N1CCN(CC1)C(c1ccccc1)[*:1]
Cc1ccc(NC(=O)Cc2cccs2)c(C)c1 c1csc(c1)[*:1] Cc1ccc(NC(=O)C[*:1])c(C)c1
COc1ccc(S(=O)(=O)N2CCN(c3nc4c(C)cccc4cc3C=O)CC2)cc1 COc1ccc(cc1)[*:1] Cc1cccc2cc(C=O)c(nc12)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCC#Cc1ccccc1)N[C@H]1CCOc2ccccc21 c1ccc(cc1)[*:1] O=C(NCC#C[*:1])N[C@H]1CCOc2ccccc21
Cc1nc(CCCN2CCN(C3=[NH+]C[C@H](C)S3)CC2)cs1 Cc1nc(cs1)C[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)CC[*:1]
Cc1nc(CCCN2CCN(C3=[NH+]C[C@H](C)S3)CC2)cs1 Cc1nc(cs1)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CCC[*:1])CC1
O=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)Nc2cccc(O)c2)c1 Oc1cccc(c1)[*:1] O=C(Nc1cccc(O)c1)c1cccc(c1)S(=O)(=O)N[*:1]
O=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)Nc2cccc(O)c2)c1 Oc1cccc(c1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)Nc1cccc(O)c1
Cc1ccc(CN2C[C@H](C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 Cc1cc(C)c(c(C)c1)[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)NCC(=O)N[*:1]
Cc1ccc(CN2C[C@H](C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC(=O)N(C2)C[*:1])c(C)c1
Cc1ccc(CN2C[C@H](C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC(=O)N(C2)[*:1])c(C)c1
COc1ccc(/C=C(\c2nc(C)cs2)c2nc3ccccc3n2C)cc1O Cc1csc(n1)[*:1] COc1ccc(C=C(c2nc3ccccc3n2C)[*:1])cc1O
COc1ccc(/C=C(\c2nc(C)cs2)c2nc3ccccc3n2C)cc1O COc1ccc(cc1O)[*:1] Cc1csc(n1)C(=C[*:1])c1nc2ccccc2n1C
C[C@@](O)(CNC(=O)C1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1 FC(F)(F)[*:1] C[C@@](O)(CNC(=O)C1CCN(CC1)C[*:1])c1ccc(F)cc1
C[C@@](O)(CNC(=O)C1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)C1CCN(CC1)CC(F)(F)F)[*:1]
C[C@@](O)(CNC(=O)C1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1 FC(F)(F)C[*:1] C[C@@](O)(CNC(=O)C1CCN(CC1)[*:1])c1ccc(F)cc1
COc1ccc(C)cc1CCNCc1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1CCNCc1cn(C)nc1[*:1]
Cc1ccc(O[C@@H]2CCCCC[C@@H]2O)c(C[NH2+]C(C)C)n1 CC(C)[*:1] Cc1ccc(O[C@@H]2CCCCC[C@@H]2O)c(C[NH2+][*:1])n1
CC(C)[NH2+][C@H]1CCOC[C@H]1Cc1cccc(Cl)c1 CC(C)[*:1] Clc1cccc(c1)C[C@@H]1COCC[C@@H]1[NH2+][*:1]
Cc1ccc2c(c1)nc([C@@H](C)Cl)n2CCC(=O)NC1CC1 C[C@@H](Cl)[*:1] Cc1ccc2c(c1)nc(n2CCC(=O)NC1CC1)[*:1]
Cc1ccc2c(c1)nc([C@@H](C)Cl)n2CCC(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1ccc2c(c1)nc([C@@H](C)Cl)n2CC[*:1]
Cc1ccc2c(c1)nc([C@@H](C)Cl)n2CCC(=O)NC1CC1 O=C(C[*:1])NC1CC1 Cc1ccc2c(c1)nc([C@@H](C)Cl)n2C[*:1]
Cc1ccc2c(c1)nc([C@@H](C)Cl)n2CCC(=O)NC1CC1 C1CC1[*:1] Cc1ccc2c(c1)nc([C@@H](C)Cl)n2CCC(=O)N[*:1]
C[C@H](NC(=O)N(C)Cc1csc(Br)c1)c1ccccc1 Brc1cc(cs1)[*:1] C[C@H](NC(=O)N(C)C[*:1])c1ccccc1
C[C@H](NC(=O)N(C)Cc1csc(Br)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N(C)Cc1csc(Br)c1)[*:1]
COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)COc1ccc2C(=O)/C(=C/c3ccc(cc3)[*:1])Oc2c1
COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 COC(=O)[*:1] O=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])Oc2cc(ccc21)OCc1ccc(cc1)[*:1]
COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 COC(=O)c1ccc(cc1)[*:1] O=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])Oc2cc(ccc21)OC[*:1]
COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc([N+](=O)[O-])cc2)C3=O)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)COc1ccc2C(=O)C(=C[*:1])Oc2c1
Cc1cc(C)n(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)n1 C[C@H](c1ccccc1)[*:1] Cc1cc(C)n(n1)-c1nnc(SCC(=O)N[*:1])n1N
Cc1cc(C)n(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](NC(=O)CSc1nnc(n1N)[*:1])c1ccccc1
Cc1cc(C)n(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2N)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1nnc(SCC(=O)N[C@H](C)[*:1])n1N
CCc1ccc2oc(C(=O)Nc3nc(C)c(C)s3)c(C)c2c1 Cc1nc(sc1C)[*:1] CCc1ccc2oc(C(=O)N[*:1])c(C)c2c1
COC(=O)c1ccc(C)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])[*:1]
COC(=O)c1ccc(C)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)[C@H]1CC=CC[C@@H]1[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)N2CCC(C)CC2)cc1 CCN(CC)C(=O)[*:1] CC1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](CC(=O)NCC1(O)CCOCC1)c1ccccc1 OC1(CCOCC1)[*:1] CC[C@@H](CC(=O)NC[*:1])c1ccccc1
CC[C@@H](CC(=O)NCC1(O)CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CC(=O)NCC1(O)CCOCC1)[*:1]
C[C@@H](NCc1ccc(OC(F)F)c(Br)c1)C(=O)N1CCOCC1 FC(F)[*:1] C[C@@H](NCc1ccc(O[*:1])c(Br)c1)C(=O)N1CCOCC1
C[C@@H](NCc1ccc(OC(F)F)c(Br)c1)C(=O)N1CCOCC1 FC(F)O[*:1] C[C@@H](NCc1ccc(c(Br)c1)[*:1])C(=O)N1CCOCC1
CCS(=O)(=O)CCC[NH+]1CC=C(c2c(C)[nH]c3ccccc23)CC1 CCS(=O)(=O)C[*:1] Cc1[nH]c2ccccc2c1C1=CC[NH+](CC1)CC[*:1]
CCS(=O)(=O)CCC[NH+]1CC=C(c2c(C)[nH]c3ccccc23)CC1 CCS(=O)(=O)CC[*:1] Cc1[nH]c2ccccc2c1C1=CC[NH+](CC1)C[*:1]
CCS(=O)(=O)CCC[NH+]1CC=C(c2c(C)[nH]c3ccccc23)CC1 CCS(=O)(=O)CCC[*:1] Cc1[nH]c2ccccc2c1C1=CC[NH+](CC1)[*:1]
CCS(=O)(=O)CCC[NH+]1CC=C(c2c(C)[nH]c3ccccc23)CC1 CCS(=O)(=O)[*:1] Cc1[nH]c2ccccc2c1C1=CC[NH+](CCC[*:1])CC1
Cc1ccc(C)c(NC(=O)Cn2nc(C(F)(F)F)c3cnccc32)c1 FC(F)(F)[*:1] Cc1ccc(C)c(c1)NC(=O)Cn1nc(c2cnccc21)[*:1]
Cc1ccc(C)c(NC(=O)Cn2nc(C(F)(F)F)c3cnccc32)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cn1nc(c2cnccc21)C(F)(F)F)N[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)CCOc1ccc2ccccc2c1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)CCOc1ccc2ccccc2c1)[*:1]
CCc1nnc(NC(=O)CC/C=C/c2ccccc2)s1 c1ccc(cc1)[*:1] CCc1nnc(NC(=O)CCC=C[*:1])s1
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C CCS(=O)(=O)C[C@@H](C)[*:1] C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(C)[*:1]
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C CCS(=O)(=O)C[*:1] C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(C)[C@H](C)[*:1]
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C CCS(=O)(=O)[*:1] C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(C)[C@H](C)C[*:1]
CN(C)C(=O)Cc1ccc(N[C@H]2CCCCC2(C)C)cc1 CN(C)C(=O)[*:1] CC1(C)CCCC[C@@H]1Nc1ccc(cc1)C[*:1]
CN(C)C(=O)Cc1ccc(N[C@H]2CCCCC2(C)C)cc1 CN(C)C(=O)C[*:1] CC1(C)CCCC[C@@H]1Nc1ccc(cc1)[*:1]
Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)N(C)c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1ccc2c(=O)c(cn(CC(=O)N(C)c3ccccc3)c2n1)S(=O)(=O)[*:1]
Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)N(C)c3ccccc3)c2n1 CN(C(=O)[*:1])c1ccccc1 Cc1ccc2c(=O)c(cn(C[*:1])c2n1)S(=O)(=O)c1ccccc1
Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)N(C)c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1ccc2c(=O)c(cn(CC(=O)N(C)[*:1])c2n1)S(=O)(=O)c1ccccc1
Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)N(C)c3ccccc3)c2n1 O=S(=O)(c1ccccc1)[*:1] Cc1ccc2c(=O)c(cn(CC(=O)N(C)c3ccccc3)c2n1)[*:1]
CCOC(=O)[C@]1(NC)CCC[C@H](Sc2nncs2)C1 c1nnc(S[*:1])s1 CCOC(=O)[C@@]1(CCC[C@H](C1)[*:1])NC
CCOC(=O)[C@]1(NC)CCC[C@H](Sc2nncs2)C1 c1nnc(s1)[*:1] CCOC(=O)[C@@]1(CCC[C@@H](C1)S[*:1])NC
CCOC(=O)[C@]1(NC)CCC[C@H](Sc2nncs2)C1 CCOC(=O)[*:1] CN[C@@]1(CCC[C@@H](C1)Sc1nncs1)[*:1]
Cc1nn(CCC(=O)N[C@@H]2CCc3ccccc32)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CCC(=O)N[C@@H]2CCc3ccccc32)c(C)c1[*:1]
C[C@H]([NH2+]C[C@@]1(C)CCCO1)C1CC1 C1CC1[*:1] C[C@H]([NH2+]C[C@@]1(C)CCCO1)[*:1]
CN(C)/C=C(/C(=O)C(F)(F)F)c1ncc(C(F)(F)F)cc1Cl CN(C)[*:1] O=C(C(=C[*:1])c1ncc(cc1Cl)C(F)(F)F)C(F)(F)F
CN(C)/C=C(/C(=O)C(F)(F)F)c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] CN(C)/C=C(/C(=O)[*:1])c1ncc(cc1Cl)C(F)(F)F
CN(C)/C=C(/C(=O)C(F)(F)F)c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] CN(C)/C=C(/C(=O)C(F)(F)F)c1ncc(cc1Cl)[*:1]
CN(C)/C=C(/C(=O)C(F)(F)F)c1ncc(C(F)(F)F)cc1Cl O=C(C(F)(F)F)[*:1] CN(C)C=C(c1ncc(cc1Cl)C(F)(F)F)[*:1]
N#CCCn1cc(/C=C\C(=O)[C@@H](C#N)c2ccccn2)c2ccccc21 N#CC[*:1] N#C[C@H](C(=O)/C=C\c1cn(C[*:1])c2ccccc12)c1ccccn1
N#CCCn1cc(/C=C\C(=O)[C@@H](C#N)c2ccccn2)c2ccccc21 c1ccc(nc1)[*:1] N#CCCn1cc(/C=C\C(=O)[C@@H](C#N)[*:1])c2ccccc21
N#CCCn1cc(/C=C\C(=O)[C@@H](C#N)c2ccccn2)c2ccccc21 N#CCC[*:1] N#C[C@H](C(=O)/C=C\c1cn(c2ccccc12)[*:1])c1ccccn1
O=C(NCC1CCC1)c1cccnc1N1CCCCC1 C1CC(C1)C[*:1] O=C(N[*:1])c1cccnc1N1CCCCC1
O=C(NCC1CCC1)c1cccnc1N1CCCCC1 C1CC(C1)[*:1] O=C(NC[*:1])c1cccnc1N1CCCCC1
O=C(NCC1CCC1)c1cccnc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(NCC1CCC1)c1cccnc1[*:1]
Cc1cc2nc(-c3ccccc3)cc(N3CCC4(CC3)COC(=O)O4)n2n1 c1ccc(cc1)[*:1] Cc1cc2nc(cc(N3CCC4(CC3)COC(=O)O4)n2n1)[*:1]
Cc1cc(C)n(-c2ccccc2NCc2c(C)nn(C)c2C)n1 Cc1cc(C)n(n1)[*:1] Cc1nn(C)c(C)c1CNc1ccccc1[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(Cc1ccco1)C3=O Fc1ccccc1[*:1] Cc1cc2oc3C(=O)N(Cc4ccco4)[C@H](c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(Cc1ccco1)C3=O c1coc(c1)C[*:1] Cc1cc2oc3C(=O)N([C@H](c4ccccc4F)c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(Cc1ccco1)C3=O c1coc(c1)[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@H](c4ccccc4F)c3c(=O)c2cc1C
CC(C)[C@@H](C)C(=O)N1CCCC[C@H]1[C@@H]1CCCC1=O CC(C)[C@@H](C)[*:1] O=C1CCC[C@H]1[C@@H]1CCCCN1C(=O)[*:1]
CC(C)[C@@H](C)C(=O)N1CCCC[C@H]1[C@@H]1CCCC1=O CC(C)[*:1] C[C@@H](C(=O)N1CCCC[C@H]1[C@@H]1CCCC1=O)[*:1]
CC(C)[C@@H](C)C(=O)N1CCCC[C@H]1[C@@H]1CCCC1=O O=C1CCC[C@H]1[*:1] CC(C)[C@@H](C)C(=O)N1CCCC[C@@H]1[*:1]
COc1ccccc1[C@@H]1c2cccn2CCN1C(=O)CN(C(=O)c1ccco1)C(C)C COc1ccccc1[*:1] CC(C)N(CC(=O)N1CCn2cccc2[C@H]1[*:1])C(=O)c1ccco1
COc1ccccc1[C@@H]1c2cccn2CCN1C(=O)CN(C(=O)c1ccco1)C(C)C c1coc(c1)[*:1] COc1ccccc1[C@@H]1c2cccn2CCN1C(=O)CN(C(=O)[*:1])C(C)C
COc1ccccc1[C@@H]1c2cccn2CCN1C(=O)CN(C(=O)c1ccco1)C(C)C CC(C)[*:1] COc1ccccc1[C@@H]1c2cccn2CCN1C(=O)CN(C(=O)c1ccco1)[*:1]
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 O=C(NC1CC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)[C@@H]1CCO[C@@H]1C)[*:1]
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 C1CC1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)[C@@H]1CCO[C@@H]1C
CN1CCc2c(sc3nc(SCC(=O)NCc4ccco4)n(-c4ccccc4)c(=O)c23)C1 O=C(C[*:1])NCc1ccco1 CN1CCc2c(C1)sc1nc(S[*:1])n(-c3ccccc3)c(=O)c21
CN1CCc2c(sc3nc(SCC(=O)NCc4ccco4)n(-c4ccccc4)c(=O)c23)C1 O=C(NCc1ccco1)[*:1] CN1CCc2c(C1)sc1nc(SC[*:1])n(-c3ccccc3)c(=O)c21
CN1CCc2c(sc3nc(SCC(=O)NCc4ccco4)n(-c4ccccc4)c(=O)c23)C1 c1coc(c1)[*:1] CN1CCc2c(C1)sc1nc(SCC(=O)NC[*:1])n(-c3ccccc3)c(=O)c21
CN1CCc2c(sc3nc(SCC(=O)NCc4ccco4)n(-c4ccccc4)c(=O)c23)C1 c1ccc(cc1)[*:1] CN1CCc2c(C1)sc1nc(SCC(=O)NCc3ccco3)n(c(=O)c21)[*:1]
CN1CCc2c(sc3nc(SCC(=O)NCc4ccco4)n(-c4ccccc4)c(=O)c23)C1 c1coc(c1)C[*:1] CN1CCc2c(C1)sc1nc(SCC(=O)N[*:1])n(-c3ccccc3)c(=O)c21
C[C@H]1CN(CCCNC(=O)C2CCCC2)C[C@H](c2ccc(F)cc2)O1 Fc1ccc(cc1)[*:1] C[C@H]1CN(CCCNC(=O)C2CCCC2)C[C@H](O1)[*:1]
C[C@H]1CN(CCCNC(=O)C2CCCC2)C[C@H](c2ccc(F)cc2)O1 O=C(N[*:1])C1CCCC1 C[C@H]1CN(CCC[*:1])C[C@@H](O1)c1ccc(F)cc1
C[C@H]1CN(CCCNC(=O)C2CCCC2)C[C@H](c2ccc(F)cc2)O1 C1CCC(C1)[*:1] C[C@H]1CN(CCCNC(=O)[*:1])C[C@@H](O1)c1ccc(F)cc1
Cc1ccccc1-c1ccc(C(=O)N2CCC(O)CC2)c(N(C)C)n1 Cc1ccccc1[*:1] CN(C)c1nc(ccc1C(=O)N1CCC(O)CC1)[*:1]
Cc1ccccc1-c1ccc(C(=O)N2CCC(O)CC2)c(N(C)C)n1 CN(C)[*:1] Cc1ccccc1-c1ccc(C(=O)N2CCC(O)CC2)c(n1)[*:1]
COC[C@@H](C)N(C)c1nc(C(C)C)c(C(=O)[O-])s1 COC[*:1] CC(C)c1nc(sc1C(=O)[O-])N(C)[C@H](C)[*:1]
COC[C@@H](C)N(C)c1nc(C(C)C)c(C(=O)[O-])s1 O=C([O-])[*:1] COC[C@@H](C)N(C)c1nc(c(s1)[*:1])C(C)C
COC[C@@H](C)N(C)c1nc(C(C)C)c(C(=O)[O-])s1 CC(C)[*:1] COC[C@@H](C)N(C)c1nc(c(s1)C(=O)[O-])[*:1]
COC[C@@H](C)N(C)c1nc(C(C)C)c(C(=O)[O-])s1 COC[C@@H](C)[*:1] CC(C)c1nc(sc1C(=O)[O-])N(C)[*:1]
COC(=O)[C@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 COC(=O)[*:1] CN1C(=O)[C@H]2[C@@H]([NH2+][C@@](Cc3ccc(O)cc3)([C@@H]2C1=O)[*:1])c1ccc(F)cc1
COC(=O)[C@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 Oc1ccc(cc1)C[*:1] COC(=O)[C@@]1([NH2+][C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21)[*:1]
COC(=O)[C@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 Fc1ccc(cc1)[*:1] COC(=O)[C@]1(Cc2ccc(O)cc2)[NH2+][C@@H]([C@@H]2C(=O)N(C)C(=O)[C@H]21)[*:1]
COC(=O)[C@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 Oc1ccc(cc1)[*:1] COC(=O)[C@]1(C[*:1])[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21
COCc1cc(NC(=O)N[C@@H](C)c2ccc(C)s2)ncn1 Cc1ccc(s1)[*:1] COCc1cc(ncn1)NC(=O)N[C@@H](C)[*:1]
COCc1cc(NC(=O)N[C@@H](C)c2ccc(C)s2)ncn1 COC[*:1] Cc1ccc(s1)[C@H](C)NC(=O)Nc1cc(ncn1)[*:1]
COC(=O)c1c(NC(=O)C(=O)N[C@H]2C[C@H]2C)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)C(=O)N[C@H]2C[C@H]2C)c(c1C)[*:1]
COc1cccc(C(=O)/C=C/c2ccccc2OC(F)F)c1 FC(F)[*:1] COc1cccc(c1)C(=O)/C=C/c1ccccc1O[*:1]
COc1cccc(C(=O)/C=C/c2ccccc2OC(F)F)c1 FC(F)O[*:1] COc1cccc(c1)C(=O)/C=C/c1ccccc1[*:1]
CCCC[C@H](C(=O)[O-])[C@]1(O)CCc2ccc(OC)cc21 CCCC[*:1] COc1ccc2CC[C@](O)(c2c1)[C@@H](C(=O)[O-])[*:1]
CCCC[C@H](C(=O)[O-])[C@]1(O)CCc2ccc(OC)cc21 O=C([O-])[*:1] CCCC[C@H]([C@]1(O)CCc2ccc(cc21)OC)[*:1]
CCCC[C@H](C(=O)[O-])[C@]1(O)CCc2ccc(OC)cc21 CCC[*:1] COc1ccc2CC[C@](O)(c2c1)[C@H](C[*:1])C(=O)[O-]
Cc1ccc(O[C@@H](C)[C@@H](C)O)c([C@@H](C)O)c1 C[C@@H](O)[*:1] Cc1ccc(O[C@@H](C)[C@@H](C)O)c(c1)[*:1]
Cc1ccc(O[C@@H](C)[C@@H](C)O)c([C@@H](C)O)c1 C[C@@H]([C@@H](C)O)[*:1] Cc1ccc(O[*:1])c(c1)[C@@H](C)O
Cc1ccc(O[C@@H](C)[C@@H](C)O)c([C@@H](C)O)c1 C[C@@H](O)[*:1] Cc1ccc(O[C@@H](C)[*:1])c(c1)[C@@H](C)O
CC(C)[C@@H]1N=N/C(=N\C(=O)/C=C/c2ccccc2)S1 c1ccc(cc1)[*:1] CC(C)[C@@H]1N=N/C(=N\C(=O)C=C[*:1])S1
CC(C)[C@@H]1N=N/C(=N\C(=O)/C=C/c2ccccc2)S1 CC(C)[*:1] O=C(/C=C/c1ccccc1)/N=C1\N=N[C@H](S1)[*:1]
COc1ccc(C(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)cn1 c1ccc(cc1)[*:1] COc1ccc(cn1)C(=O)N1CCCC[C@@H]1CCNC(=O)[*:1]
COc1ccc(C(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)cn1 O=C(N[*:1])c1ccccc1 COc1ccc(cn1)C(=O)N1CCCC[C@@H]1CC[*:1]
COc1ccc(C(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)cn1 COc1ccc(cn1)[*:1] O=C(NCC[C@H]1CCCCN1C(=O)[*:1])c1ccccc1
Cc1ccc(CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)N[C@H]2CCC[C@@H](C2)S(C)(=O)=O)c(c1)[*:1]
Cc1ccc(CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c(N(C)C)c1 CS(=O)(=O)[*:1] Cc1ccc(CNC(=O)N[C@H]2CCC[C@H](C2)[*:1])c(c1)N(C)C
Cc1nc(N2C[C@H](C)[C@@H](C)C2)sc1C[NH2+]C1CC1 C1CC1[*:1] Cc1nc(sc1C[NH2+][*:1])N1C[C@H](C)[C@@H](C)C1
COc1ccc(NC(=O)CC[NH+]2CCN(c3nccs3)CC2)cc1 c1csc(n1)[*:1] COc1ccc(cc1)NC(=O)CC[NH+]1CCN(CC1)[*:1]
COc1ccc(NC(=O)CC[NH+]2CCN(c3nccs3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)c1nccs1)N[*:1]
CC(C)c1cc(C(=O)N2CCOC[C@H]2C(N)=O)c2cnn(C(C)C)c2n1 NC(=O)[*:1] CC(C)c1cc(C(=O)N2CCOC[C@@H]2[*:1])c2cnn(c2n1)C(C)C
CC(C)c1cc(C(=O)N2CCOC[C@H]2C(N)=O)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)N1CCOC[C@H]1C(N)=O
CC(C)c1cc(C(=O)N2CCOC[C@H]2C(N)=O)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)c1cc(C(=O)N2CCOC[C@H]2C(N)=O)c2cnn(c2n1)[*:1]
CCC(CC)[C@@H](CNC(=O)N1CCC[C@H](CO)C1)N1CCOCC1 C1CN(CCO1)[*:1] CCC(CC)[C@@H](CNC(=O)N1CCC[C@H](CO)C1)[*:1]
CCC(CC)[C@@H](CNC(=O)N1CCC[C@H](CO)C1)N1CCOCC1 CCC(CC)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])N1CCC[C@H](CO)C1
Cc1[nH+]cc(CN2CCC3(CC2)Nc2cc(Cl)ccc2C2=[NH+]CCCN23)n1C Cc1[nH+]cc(C[*:1])n1C Clc1ccc2C3=[NH+]CCCN3C3(CCN(CC3)[*:1])Nc2c1
Cc1ccc(-c2nc(N(C)Cc3[nH+]ccn3C)ncc2-c2ccoc2)cc1 c1cc(co1)[*:1] Cc1ccc(cc1)-c1nc(ncc1[*:1])N(C)Cc1[nH+]ccn1C
Cc1ccc(-c2nc(N(C)Cc3[nH+]ccn3C)ncc2-c2ccoc2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1[nH+]ccn1C)c1ncc(-c2ccoc2)c(n1)[*:1]
C[C@@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1)N1CCOCC1 C[C@@H](N1CCOCC1)[*:1] CC(C)(C)c1cc(no1)NC(=O)C(=O)NC[*:1]
C[C@@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)C(=O)Nc1cc(on1)C(C)(C)C)[*:1]
C[C@@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1)N1CCOCC1 CC(C)(C)[*:1] C[C@@H](CNC(=O)C(=O)Nc1cc(on1)[*:1])N1CCOCC1
O=C(NCc1ccnc(OCC(F)F)c1)N[C@H]1CCCCC[C@H]1CO FC(F)C[*:1] O=C(NCc1ccnc(c1)O[*:1])N[C@H]1CCCCC[C@H]1CO
O=C(NCc1ccnc(OCC(F)F)c1)N[C@H]1CCCCC[C@H]1CO FC(F)[*:1] O=C(NCc1ccnc(c1)OC[*:1])N[C@H]1CCCCC[C@H]1CO
O=C(NCc1ccnc(OCC(F)F)c1)N[C@H]1CCCCC[C@H]1CO FC(F)CO[*:1] O=C(NCc1ccnc(c1)[*:1])N[C@H]1CCCCC[C@H]1CO
C[C@H]1CN(Cc2csc(NC(=O)[C@@H]3CC(=O)N(C)C3)n2)C[C@H](C)O1 C[C@H]1CN(C[C@H](C)O1)[*:1] CN1C[C@@H](CC1=O)C(=O)Nc1nc(cs1)C[*:1]
C[C@H]1CN(Cc2csc(NC(=O)[C@@H]3CC(=O)N(C)C3)n2)C[C@H](C)O1 CN1C[C@@H](CC1=O)[*:1] C[C@H]1CN(Cc2csc(n2)NC(=O)[*:1])C[C@H](C)O1
Cc1ccc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2c1 c1cncc(c1)C[*:1] Cc1ccc2nc(nc(C)c2c1)NC1=NCN(CN1)[*:1]
Cc1ccc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2c1 c1cncc(c1)[*:1] Cc1ccc2nc(nc(C)c2c1)NC1=NCN(CN1)C[*:1]
Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)c1cc(C)n(c1C)[*:1]
Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C(=O)NC2CCN(CC2)C(=O)[*:1])c(C)n1C1CC1
O=C(CSc1c(Cl)cccc1Cl)NCc1cccnc1 c1cncc(c1)[*:1] O=C(CSc1c(Cl)cccc1Cl)NC[*:1]
C[C@H](CCCCl)[NH2+]Cc1ccc(F)cc1F ClCCC[*:1] C[C@H]([NH2+]Cc1ccc(F)cc1F)[*:1]
C[C@H](CCCCl)[NH2+]Cc1ccc(F)cc1F ClCC[*:1] C[C@H](C[*:1])[NH2+]Cc1ccc(F)cc1F
N#CCNC(=O)[C@@H]1CCCCC[C@H]1[NH3+] N#CC[*:1] [NH3+][C@@H]1CCCCC[C@H]1C(=O)N[*:1]
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Cl)c1 Clc1ccccc1[*:1] CCN(CC)S(=O)(=O)c1ccc(F)c(c1)C(=O)N[*:1]
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Cl)c1 CCN(CC)S(=O)(=O)[*:1] O=C(Nc1ccccc1Cl)c1cc(ccc1F)[*:1]
Cc1c(C)c2ccc(OCC(=O)Nc3ccc4[nH]ccc4c3)c(C)c2oc1=O c1cc2cc(ccc2[nH]1)[*:1] Cc1c(C)c2ccc(OCC(=O)N[*:1])c(C)c2oc1=O
CC(C)N1C[C@H](C(=O)Oc2cccc(C(F)(F)F)c2)CC1=O FC(F)(F)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)Oc1cccc(c1)[*:1]
CC(C)N1C[C@H](C(=O)Oc2cccc(C(F)(F)F)c2)CC1=O CC(C)[*:1] O=C(Oc1cccc(c1)C(F)(F)F)[C@@H]1CC(=O)N(C1)[*:1]
COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccc(C)cc1)C(C)C)CC2 Cc1ccc(cc1)C[*:1] COCc1nc2CC[C@@H](Cn2n1)[NH2+][C@@H](C(C)C)[*:1]
COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccc(C)cc1)C(C)C)CC2 COC[*:1] Cc1ccc(cc1)C[C@H]([NH2+][C@H]1CCc2nc(nn2C1)[*:1])C(C)C
COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccc(C)cc1)C(C)C)CC2 CC(C)[*:1] COCc1nc2CC[C@@H](Cn2n1)[NH2+][C@@H](Cc1ccc(C)cc1)[*:1]
COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccc(C)cc1)C(C)C)CC2 Cc1ccc(cc1)[*:1] COCc1nc2CC[C@@H](Cn2n1)[NH2+][C@@H](C[*:1])C(C)C
CC1(C)CCC[C@H]1NC(=O)[C@@H]1CSCN1 C1N[C@@H](CS1)[*:1] CC1(C)CCC[C@H]1NC(=O)[*:1]
CS(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 CS(=O)(=O)O[*:1] Clc1cc(Cl)c2cccnc2c1[*:1]
CC[C@@H](C)Nc1ncnc(Nc2ccc(I)cc2)c1N CC[C@@H](C)N[*:1] Nc1c(ncnc1[*:1])Nc1ccc(I)cc1
CC[C@@H](C)Nc1ncnc(Nc2ccc(I)cc2)c1N CC[C@@H](C)[*:1] Nc1c(ncnc1N[*:1])Nc1ccc(I)cc1
Cc1ccccc1CNC(=O)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1ccccc1CNC(=O)C[*:1]
CCOC(=O)N(C)CC(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] CCOC(=O)N(C)CC(=O)N1CCCN(CC1)c1ncc(cc1Cl)[*:1]
CCOC(=O)N(C)CC(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 CCOC(=O)N(C)[*:1] O=C(C[*:1])N1CCCN(CC1)c1ncc(cc1Cl)C(F)(F)F
CCOC(=O)N(C)CC(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 CCOC(=O)N(C)C[*:1] O=C(N1CCCN(CC1)c1ncc(cc1Cl)C(F)(F)F)[*:1]
CCCN[C@]1(C#N)CC[C@@H](SCCS(C)(=O)=O)C1 CS(=O)(=O)C[*:1] CCCN[C@]1(C#N)CC[C@H](C1)SC[*:1]
CCCN[C@]1(C#N)CC[C@@H](SCCS(C)(=O)=O)C1 CCCN[*:1] CS(=O)(=O)CCS[C@@H]1CC[C@@](C#N)(C1)[*:1]
CCCN[C@]1(C#N)CC[C@@H](SCCS(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCCN[C@]1(C#N)CC[C@H](C1)SCC[*:1]
CCCN[C@]1(C#N)CC[C@@H](SCCS(C)(=O)=O)C1 CS(=O)(=O)CC[*:1] CCCN[C@]1(C#N)CC[C@H](C1)S[*:1]
CCCN[C@]1(C#N)CC[C@@H](SCCS(C)(=O)=O)C1 CCC[*:1] CS(=O)(=O)CCS[C@@H]1CC[C@](C#N)(C1)N[*:1]
C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1cccc(c1)[*:1]
CCOc1ccc(OC(=O)c2cnc([C@@H]3CCCO3)s2)cc1 CCO[*:1] O=C(Oc1ccc(cc1)[*:1])c1cnc(s1)[C@@H]1CCCO1
CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@]1(O)CCOC1 Clc1cccc(c1)[*:1] CC(C)C[C@H](C[*:1])[NH2+]C[C@@]1(O)CCOC1
CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@]1(O)CCOC1 CC(C)[*:1] O[C@@]1(CCOC1)C[NH2+][C@@H](Cc1cccc(Cl)c1)C[*:1]
CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@]1(O)CCOC1 CC(C)C[*:1] O[C@@]1(CCOC1)C[NH2+][C@@H](Cc1cccc(Cl)c1)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](c1cccnc1)N(C)C2=O CC(C)c1ccc(cc1)[*:1] COc1cc2C(=O)N(C)[C@@H](c3cccnc3)[C@@H](C(=O)N[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](c1cccnc1)N(C)C2=O c1cncc(c1)[*:1] COc1cc2C(=O)N(C)[C@@H]([C@@H](C(=O)Nc3ccc(cc3)C(C)C)c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(C(C)C)cc1)[C@H](c1cccnc1)N(C)C2=O CC(C)[*:1] COc1cc2C(=O)N(C)[C@@H](c3cccnc3)[C@@H](C(=O)Nc3ccc(cc3)[*:1])c2cc1OC
Cn1c(C(C)(C)C)nc2cc(NC(=O)C(=O)NCC3(C4CC4)CC3)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)NCC1(CC1)[*:1])C(C)(C)C
Cn1c(C(C)(C)C)nc2cc(NC(=O)C(=O)NCC3(C4CC4)CC3)ccc21 C1CC1C1(CC1)[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)NC[*:1])C(C)(C)C
Cn1c(C(C)(C)C)nc2cc(NC(=O)C(=O)NCC3(C4CC4)CC3)ccc21 CC(C)(C)[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)NCC1(CC1)C1CC1)[*:1]
Cn1c(C(C)(C)C)nc2cc(NC(=O)C(=O)NCC3(C4CC4)CC3)ccc21 C1CC1C1(CC1)C[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)N[*:1])C(C)(C)C
Cc1csc(NC(=O)CC[C@@H](C)O)n1 C[C@@H](O)C[*:1] Cc1csc(n1)NC(=O)C[*:1]
Cc1csc(NC(=O)CC[C@@H](C)O)n1 C[C@@H](O)[*:1] Cc1csc(n1)NC(=O)CC[*:1]
CCSC[C@@H](C)N(C)C(=O)NCc1cccc(-n2cccn2)c1 CCS[*:1] C[C@H](C[*:1])N(C)C(=O)NCc1cccc(c1)-n1cccn1
CCSC[C@@H](C)N(C)C(=O)NCc1cccc(-n2cccn2)c1 CCSC[*:1] C[C@@H](N(C)C(=O)NCc1cccc(c1)-n1cccn1)[*:1]
CCSC[C@@H](C)N(C)C(=O)NCc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] CCSC[C@@H](C)N(C)C(=O)NCc1cccc(c1)[*:1]
CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(C)cc1Cl CCC[*:1] Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)[*:1])c(Cl)c1
CN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)Nc2ccc(C(N)=O)cc2)=N1 NC(=O)[*:1] CN1CC(=NC(=N1)SCC(=O)Nc1ccc(cc1)[*:1])Oc1ccc(Cl)cc1
CN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)Nc2ccc(C(N)=O)cc2)=N1 NC(=O)c1ccc(cc1)[*:1] CN1CC(=NC(=N1)SCC(=O)N[*:1])Oc1ccc(Cl)cc1
CN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)Nc2ccc(C(N)=O)cc2)=N1 Clc1ccc(cc1)[*:1] CN1CC(=NC(=N1)SCC(=O)Nc1ccc(cc1)C(N)=O)O[*:1]
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1-c1nnc2n1CCCCC2 Cc1c(Cl)cccc1[*:1] O=S(=O)([N-]c1ccccc1-c1nnc2CCCCCn21)[*:1]
Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(N[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
C#CCN1C(=O)S/C(=C\c2cc(Br)c(OC)cc2OC)C1=O C#CC[*:1] COc1cc(OC)c(/C=C2\SC(=O)N(C2=O)[*:1])cc1Br
Cc1cnc([C@H](NC(=O)N[C@@H](C)Cc2ccc(O)cc2)C2CC2)s1 Oc1ccc(cc1)C[*:1] Cc1cnc(s1)[C@H](NC(=O)N[C@@H](C)[*:1])C1CC1
Cc1cnc([C@H](NC(=O)N[C@@H](C)Cc2ccc(O)cc2)C2CC2)s1 Cc1cnc(s1)[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)N[C@H](C1CC1)[*:1]
Cc1cnc([C@H](NC(=O)N[C@@H](C)Cc2ccc(O)cc2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H](NC(=O)N[C@@H](C)Cc1ccc(O)cc1)[*:1]
Cc1cnc([C@H](NC(=O)N[C@@H](C)Cc2ccc(O)cc2)C2CC2)s1 Oc1ccc(cc1)[*:1] Cc1cnc(s1)[C@H](NC(=O)N[C@@H](C)C[*:1])C1CC1
NS(=O)(=O)c1ccc(CN2CN[C@@H](c3ccccc3)[C@H]2c2[nH]cc[nH+]2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)CN1CN[C@@H]([C@H]1c1[nH]cc[nH+]1)[*:1]
NS(=O)(=O)c1ccc(CN2CN[C@@H](c3ccccc3)[C@H]2c2[nH]cc[nH+]2)cc1 NS(=O)(=O)[*:1] c1ccc(cc1)[C@@H]1NCN(Cc2ccc(cc2)[*:1])[C@@H]1c1[nH]cc[nH+]1
CC(C)(C)NC(=O)CNC(=O)Nc1ccccc1I CC(C)(C)[*:1] O=C(CNC(=O)Nc1ccccc1I)N[*:1]
CCc1nn(C)cc1Nc1nc(Cl)c(C(=O)OC)s1 COC(=O)[*:1] CCc1nn(C)cc1Nc1nc(Cl)c(s1)[*:1]
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2ccco2)on1 c1coc(c1)[*:1] Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(on1)[*:1]
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2ccco2)on1 Clc1ccc(cc1Cl)[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)c1cc(on1)-c1ccco1
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2ccco2)on1 Clc1ccc(cc1Cl)C[*:1] Cc1nn(c(C)c1NC(=O)c1cc(on1)-c1ccco1)[*:1]
c1ccc(Nc2nnc(C[n+]3ccccc3)s2)cc1 c1cc[n+](cc1)[*:1] c1ccc(cc1)Nc1nnc(C[*:1])s1
c1ccc(Nc2nnc(C[n+]3ccccc3)s2)cc1 c1ccc(cc1)[*:1] c1cc[n+](cc1)Cc1nnc(N[*:1])s1
COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)Cc1cccs1 O=C(Cc1cccs1)N[*:1] COc1ccccc1Cn1ncc2c1CCC[C@@H]2[*:1]
COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)Cc1cccs1 COc1ccccc1[*:1] O=C(Cc1cccs1)N[C@@H]1CCCc2c1cnn2C[*:1]
COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)Cc1cccs1 c1csc(c1)C[*:1] COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)[*:1]
COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)Cc1cccs1 COc1ccccc1C[*:1] O=C(Cc1cccs1)N[C@@H]1CCCc2c1cnn2[*:1]
COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)Cc1cccs1 c1csc(c1)[*:1] COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)C[*:1]
CCSC[C@H](C)N(C)C(=O)[C@@H](C)Cc1c(C)noc1C CCSC[C@H](C)[*:1] Cc1noc(C)c1C[C@H](C)C(=O)N(C)[*:1]
CCSC[C@H](C)N(C)C(=O)[C@@H](C)Cc1c(C)noc1C CCS[*:1] Cc1noc(C)c1C[C@H](C)C(=O)N(C)[C@@H](C)C[*:1]
CCSC[C@H](C)N(C)C(=O)[C@@H](C)Cc1c(C)noc1C CCSC[*:1] Cc1noc(C)c1C[C@H](C)C(=O)N(C)[C@@H](C)[*:1]
O=C(CSc1ncccc1C(=O)[O-])c1ccccc1Cl O=C([O-])[*:1] O=C(CSc1ncccc1[*:1])c1ccccc1Cl
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 Clc1ccccc1C[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(=O)n(c1)[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(=O)n(c1)C[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1ccc(=O)n(c1)Cc1ccccc1Cl
N=C1S[C@H]2CCCCC2=C1C(N)=O NC(=O)[*:1] N=C1S[C@H]2CCCCC2=C1[*:1]
COc1ccccc1CNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccc(Cl)cc4)nn23)CC1 COc1ccccc1[*:1] Cc1cc(N2CCC(CC2)C(=O)NC[*:1])n2nc(cc2n1)-c1ccc(Cl)cc1
COc1ccccc1CNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccc(Cl)cc4)nn23)CC1 Clc1ccc(cc1)[*:1] COc1ccccc1CNC(=O)C1CCN(CC1)c1cc(C)nc2cc(nn12)[*:1]
COc1ccccc1CNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccc(Cl)cc4)nn23)CC1 COc1ccccc1C[*:1] Cc1cc(N2CCC(CC2)C(=O)N[*:1])n2nc(cc2n1)-c1ccc(Cl)cc1
COc1ccc(CN2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1F c1ccn(c1)[*:1] COc1ccc(cc1F)CN1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COc1ccc(CN2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1F COc1ccc(cc1F)[*:1] O=C(c1ccc(cc1)-n1cccc1)N1CCN(CC1)C[*:1]
CC(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)[O-])cc1 CC(C)[*:1] O=C(COc1ccccc1[*:1])Nc1ccc(cc1)C(=O)[O-]
CC(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)c1ccccc1OCC(=O)Nc1ccc(cc1)[*:1]
C=CCN(CC(=O)Nc1ccon1)C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] C=CCN(CC(=O)Nc1ccon1)C(=O)[*:1]
C=CCN(CC(=O)Nc1ccon1)C(=O)c1cccc(F)c1 c1cc(no1)[*:1] C=CCN(CC(=O)N[*:1])C(=O)c1cccc(F)c1
C=CCN(CC(=O)Nc1ccon1)C(=O)c1cccc(F)c1 C=CC[*:1] O=C(CN(C(=O)c1cccc(F)c1)[*:1])Nc1ccon1
CC(=O)N[C@H]1C(=O)N(CCc2ccccc2)c2ccccc21 c1ccc(cc1)C[*:1] CC(=O)N[C@H]1C(=O)N(C[*:1])c2ccccc21
CC(=O)N[C@H]1C(=O)N(CCc2ccccc2)c2ccccc21 CC(=O)N[*:1] O=C1[C@@H](c2ccccc2N1CCc1ccccc1)[*:1]
CC(=O)N[C@H]1C(=O)N(CCc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CC(=O)N[C@H]1C(=O)N(CC[*:1])c2ccccc21
Nc1cc([N+](=O)[O-])ccc1[C@H]([NH3+])C(=O)[O-] O=[N+]([O-])[*:1] Nc1cc(ccc1[C@H]([NH3+])C(=O)[O-])[*:1]
Nc1cc([N+](=O)[O-])ccc1[C@H]([NH3+])C(=O)[O-] O=C([O-])[*:1] Nc1cc(ccc1[C@H]([NH3+])[*:1])[N+](=O)[O-]
Fc1cc(-c2ccncc2)ccc1C[NH+]1CCCN(C2CCOCC2)CC1 C1CC(CCO1)[*:1] Fc1cc(ccc1C[NH+]1CCCN(CC1)[*:1])-c1ccncc1
Fc1cc(-c2ccncc2)ccc1C[NH+]1CCCN(C2CCOCC2)CC1 c1cc(ccn1)[*:1] Fc1cc(ccc1C[NH+]1CCCN(CC1)C1CCOCC1)[*:1]
O=C(Nc1ccccc1)N[C@H]1C[C@@H](C(=O)[O-])Nc2cc(Cl)cc(Cl)c21 O=C([O-])[*:1] O=C(Nc1ccccc1)N[C@H]1C[C@@H](Nc2cc(Cl)cc(Cl)c21)[*:1]
O=C(Nc1ccccc1)N[C@H]1C[C@@H](C(=O)[O-])Nc2cc(Cl)cc(Cl)c21 c1ccc(cc1)[*:1] O=C(N[C@H]1C[C@H](Nc2cc(Cl)cc(Cl)c21)C(=O)[O-])N[*:1]
C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cncs2)C1 c1ncc(C[*:1])s1 C[C@H]1C[C@@H](c2ccccc2F)N(C1)[*:1]
C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cncs2)C1 c1ncc(s1)[*:1] C[C@H]1C[C@@H](c2ccccc2F)N(C1)C[*:1]
CCCN(C(=O)NC1CCCC1)C1(C[NH3+])CCCC1 C1CCC(C1)[*:1] CCCN(C(=O)N[*:1])C1(C[NH3+])CCCC1
CCCN(C(=O)NC1CCCC1)C1(C[NH3+])CCCC1 CCC[*:1] [NH3+]CC1(CCCC1)N(C(=O)NC1CCCC1)[*:1]
CCCCNC(=O)CSc1nc2n[nH]c(C)c2c(N)[n+]1-c1cc(Cl)ccc1C CCCCNC(=O)C[*:1] Cc1ccc(Cl)cc1-[n+]1c(nc2n[nH]c(C)c2c1N)S[*:1]
CCCCNC(=O)CSc1nc2n[nH]c(C)c2c(N)[n+]1-c1cc(Cl)ccc1C Cc1ccc(Cl)cc1[*:1] CCCCNC(=O)CSc1nc2n[nH]c(C)c2c(N)[n+]1[*:1]
CCCCNC(=O)CSc1nc2n[nH]c(C)c2c(N)[n+]1-c1cc(Cl)ccc1C CCC[*:1] Cc1ccc(Cl)cc1-[n+]1c(nc2n[nH]c(C)c2c1N)SCC(=O)NC[*:1]
CCCCNC(=O)CSc1nc2n[nH]c(C)c2c(N)[n+]1-c1cc(Cl)ccc1C CCCCNC(=O)CS[*:1] Cc1ccc(Cl)cc1-[n+]1c(nc2n[nH]c(C)c2c1N)[*:1]
CCCCNC(=O)CSc1nc2n[nH]c(C)c2c(N)[n+]1-c1cc(Cl)ccc1C CCCCNC(=O)[*:1] Cc1ccc(Cl)cc1-[n+]1c(nc2n[nH]c(C)c2c1N)SC[*:1]
CCCCNC(=O)CSc1nc2n[nH]c(C)c2c(N)[n+]1-c1cc(Cl)ccc1C CCCC[*:1] Cc1ccc(Cl)cc1-[n+]1c(nc2n[nH]c(C)c2c1N)SCC(=O)N[*:1]
CCC[NH2+][C@H]1CCCc2cc(OC/C(Cl)=C/Cl)ccc21 Cl/C=C(\Cl)CO[*:1] CCC[NH2+][C@H]1CCCc2cc(ccc21)[*:1]
CCC[NH2+][C@H]1CCCc2cc(OC/C(Cl)=C/Cl)ccc21 CCC[*:1] Cl/C=C(\Cl)COc1ccc2c(c1)CCC[C@@H]2[NH2+][*:1]
CCC[NH2+][C@H]1CCCc2cc(OC/C(Cl)=C/Cl)ccc21 Cl/C=C(\Cl)C[*:1] CCC[NH2+][C@H]1CCCc2cc(ccc21)O[*:1]
CCC[NH2+][C@H]1CCCc2cc(OC/C(Cl)=C/Cl)ccc21 Cl/C=C(\Cl)[*:1] CCC[NH2+][C@H]1CCCc2cc(ccc21)OC[*:1]
CCN(C(=O)c1ccccc1Br)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1ccccc1Br)[*:1]
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)C[C@H](O)C1CC1 Cc1nnnn1[*:1] CN(C[C@H](O)C1CC1)C(=O)[C@H](Cc1ccccc1)[*:1]
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)C[C@H](O)C1CC1 O[C@H](C1CC1)[*:1] Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)C[*:1]
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)C[C@H](O)C1CC1 C1CC1[*:1] Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)C[C@H](O)[*:1]
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)C[C@H](O)C1CC1 c1ccc(cc1)[*:1] Cc1nnnn1[C@@H](C[*:1])C(=O)N(C)C[C@H](O)C1CC1
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)C[C@H](O)C1CC1 c1ccc(cc1)C[*:1] Cc1nnnn1[C@@H](C(=O)N(C)C[C@H](O)C1CC1)[*:1]
O=C(CON=C1CCC2(CC1)OCCO2)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(CON=C1CCC2(CC1)OCCO2)Nc1ccc(cc1)[*:1]
O=C(CON=C1CCC2(CC1)OCCO2)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CON=C1CCC2(CC1)OCCO2)Nc1ccc(cc1)O[*:1]
CC(=O)Nc1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] CC(=O)Nc1ccccc1[*:1]
CC(=O)Nc1ccccc1S(C)(=O)=O CC(=O)N[*:1] CS(=O)(=O)c1ccccc1[*:1]
COC(C)(C)CNC(=O)c1ccccc1Cl COC(C)(C)[*:1] O=C(NC[*:1])c1ccccc1Cl
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1 c1csc(c1)[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)Cn1c(cc2ccccc21)-c1nnc(C)o1)[*:1]
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1 Cc1nnc(o1)[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)Cn1c(cc2ccccc21)[*:1])c1cccs1
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1 COc1ccc(cc1)[*:1] Cc1nnc(o1)-c1cc2ccccc2n1CC(=O)N1N=C(C[C@@H]1[*:1])c1cccs1
O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)N1CCC[C@H](CO)C1 c1ccc(cc1)[*:1] O=C(N[C@@H](c1cccc(F)c1)[*:1])N1CCC[C@H](CO)C1
O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)N1CCC[C@H](CO)C1 Fc1cccc(c1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])N1CCC[C@H](CO)C1
COc1ccc(/C=N/[C@H]2N=NC=[NH+]2)cc1CN1NC(C)=C([N+](=O)[O-])[C@H]1C O=[N+]([O-])[*:1] COc1ccc(/C=N/[C@H]2N=NC=[NH+]2)cc1CN1NC(C)=C([C@H]1C)[*:1]
O=C(Nc1cnn(-c2ncccn2)c1)c1cccc(OCC(F)F)n1 FC(F)[*:1] O=C(Nc1cnn(c1)-c1ncccn1)c1cccc(n1)OC[*:1]
O=C(Nc1cnn(-c2ncccn2)c1)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] O=C(Nc1cnn(c1)-c1ncccn1)c1cccc(n1)[*:1]
O=C(Nc1cnn(-c2ncccn2)c1)c1cccc(OCC(F)F)n1 FC(F)C[*:1] O=C(Nc1cnn(c1)-c1ncccn1)c1cccc(n1)O[*:1]
O=C(Nc1cnn(-c2ncccn2)c1)c1cccc(OCC(F)F)n1 c1cnc(nc1)[*:1] O=C(Nc1cnn(c1)[*:1])c1cccc(n1)OCC(F)F
COc1ccc(CCC(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1OC Cc1cccc(c1)[*:1] COc1ccc(cc1OC)CCC(=O)N1CCN(CC1)C[*:1]
COc1ccc(CCC(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1OC Cc1cccc(c1)C[*:1] COc1ccc(cc1OC)CCC(=O)N1CCN(CC1)[*:1]
CCC[C@H](C)[C@H](Br)[C@@H](C)c1ccccn1 CCC[*:1] C[C@@H](c1ccccn1)[C@@H](Br)[C@@H](C)[*:1]
CCC[C@H](C)[C@H](Br)[C@@H](C)c1ccccn1 CCC[C@H](C)[*:1] C[C@@H](c1ccccn1)[C@@H](Br)[*:1]
NC(=O)[C@H]1CC[C@@H](C[NH2+][C@@H]2CCc3c(F)ccc(Br)c32)O1 NC(=O)[*:1] Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C[C@@H]1CC[C@@H](O1)[*:1]
CCc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)[C@H]1Nn2c(CC)nnc2S[C@H]1C(=O)Nc1ccccc1[*:1]
CCc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2C(F)(F)F)cc1 FC(F)(F)c1ccccc1[*:1] CCc1ccc(cc1)[C@H]1Nn2c(CC)nnc2S[C@H]1C(=O)N[*:1]
CCc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2C(F)(F)F)cc1 CCc1ccc(cc1)[*:1] CCc1nnc2S[C@@H](C(=O)Nc3ccccc3C(F)(F)F)[C@H](Nn12)[*:1]
CC[C@@H](C)[C@@H]1CN(Cc2cc(F)cc(Br)c2)CC[NH2+]1 CC[C@@H](C)[*:1] Fc1cc(Br)cc(c1)CN1CC[NH2+][C@@H](C1)[*:1]
Cc1ccc(C(=O)N2CCc3ncnc(NC4CC=CC4)c3CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N1CCc2ncnc(NC3CC=CC3)c2CC1)[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)o1 Cc1ccc(o1)[C@@H](C)[*:1] C[C@@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N[C@H](C)[*:1]
CC(C)Oc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 CC(C)O[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 CC(C)[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(cc1)O[*:1]
OC[C@H](C[C@H]1CCCO1)c1ccccc1F C1CO[C@H](C1)[*:1] OC[C@H](C[*:1])c1ccccc1F
CC[C@@H](C)N1C(=O)C2(CCCC2)NC(=O)[C@H]1C(C)(C)C CC(C)(C)[*:1] CC[C@@H](C)N1C(=O)C2(CCCC2)NC(=O)[C@@H]1[*:1]
CC[C@@H](C)N1C(=O)C2(CCCC2)NC(=O)[C@H]1C(C)(C)C CC[C@@H](C)[*:1] CC(C)(C)[C@@H]1C(=O)NC2(CCCC2)C(=O)N1[*:1]
O=C(Cc1ccc(F)c(F)c1)NNc1nc(-c2ccncc2)no1 Fc1ccc(cc1F)[*:1] O=C(C[*:1])NNc1nc(no1)-c1ccncc1
O=C(Cc1ccc(F)c(F)c1)NNc1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] O=C(Cc1ccc(F)c(F)c1)NNc1nc(no1)[*:1]
O=C(N1CCO[C@H](c2ccc(F)cc2)C1)C1(c2ccccc2)CCC1 Fc1ccc(cc1)[*:1] O=C(N1CCO[C@H](C1)[*:1])C1(CCC1)c1ccccc1
O=C(N1CCO[C@H](c2ccc(F)cc2)C1)C1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(N1CCO[C@@H](C1)c1ccc(F)cc1)C1(CCC1)[*:1]
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)NC(=O)N[C@@H]1c1cc(C)ccc1C Cc1cc(C)c(C#N)c(n1)[*:1] CCOC(=O)C1=C(CS[*:1])NC(=O)N[C@@H]1c1cc(C)ccc1C
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)NC(=O)N[C@@H]1c1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)NC(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)NC(=O)N[C@@H]1c1cc(C)ccc1C CCOC(=O)[*:1] Cc1ccc(C)c(c1)[C@H]1NC(=O)NC(CSc2nc(C)cc(C)c2C#N)=C1[*:1]
O=C(NC[C@@H]1CCCO1)Nc1cc(F)cc(F)c1 C1CO[C@@H](C1)C[*:1] O=C(Nc1cc(F)cc(F)c1)N[*:1]
O=C(NC[C@@H]1CCCO1)Nc1cc(F)cc(F)c1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])Nc1cc(F)cc(F)c1
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C)cs2)c1 CCN(CC)S(=O)(=O)[*:1] Cc1csc(n1)NC(=O)c1cc(ccc1Cl)[*:1]
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C)cs2)c1 Cc1csc(n1)[*:1] CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
C[NH+]1CCN(CCCNC(=O)c2cccc(N3CC(=O)C(c4nc5ccccc5s4)=C3N)c2)CC1 c1ccc2sc(nc2c1)[*:1] C[NH+]1CCN(CCCNC(=O)c2cccc(c2)N2CC(=O)C(=C2N)[*:1])CC1
CCC1CCC(NC(=O)Nc2cc(COC)ncn2)CC1 COC[*:1] CCC1CCC(CC1)NC(=O)Nc1cc(ncn1)[*:1]
Cc1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1C c1coc(c1)[*:1] Cc1cccc(NC(=O)c2cc3N[C@@H](C[C@H](n3n2)C(F)(F)F)[*:1])c1C
Cc1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)c1ccco1
Cc1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1C FC(F)(F)[*:1] Cc1cccc(NC(=O)c2cc3N[C@H](C[C@@H](n3n2)[*:1])c2ccco2)c1C
CCc1nsc(N2CCN(Cn3nc(C4CC4)sc3=S)CC2)n1 C1CC1[*:1] CCc1nsc(n1)N1CCN(CC1)Cn1nc(sc1=S)[*:1]
CCc1nsc(N2CCN(Cn3nc(C4CC4)sc3=S)CC2)n1 CCc1nsc(n1)[*:1] S=c1sc(nn1CN1CCN(CC1)[*:1])C1CC1
O=c1c(-c2ccc(Br)cc2)coc2c3c(ccc12)OCN(CCCN1CCOCC1)C3 C1CN(CCO1)[*:1] O=c1c(coc2c3CN(CCC[*:1])COc3ccc12)-c1ccc(Br)cc1
O=c1c(-c2ccc(Br)cc2)coc2c3c(ccc12)OCN(CCCN1CCOCC1)C3 C1CN(CCO1)C[*:1] O=c1c(coc2c3CN(CC[*:1])COc3ccc12)-c1ccc(Br)cc1
O=c1c(-c2ccc(Br)cc2)coc2c3c(ccc12)OCN(CCCN1CCOCC1)C3 C(CN1CCOCC1)C[*:1] O=c1c(coc2c3CN(COc3ccc12)[*:1])-c1ccc(Br)cc1
O=c1c(-c2ccc(Br)cc2)coc2c3c(ccc12)OCN(CCCN1CCOCC1)C3 Brc1ccc(cc1)[*:1] O=c1c(coc2c3CN(CCCN4CCOCC4)COc3ccc12)[*:1]
O=c1c(-c2ccc(Br)cc2)coc2c3c(ccc12)OCN(CCCN1CCOCC1)C3 C1CN(CCO1)CC[*:1] O=c1c(coc2c3CN(COc3ccc12)C[*:1])-c1ccc(Br)cc1
C/C(=C\C(=O)[O-])c1ccc(CC(C)C)cc1 CC(C)C[*:1] C/C(=C\C(=O)[O-])c1ccc(cc1)[*:1]
C/C(=C\C(=O)[O-])c1ccc(CC(C)C)cc1 CC(C)[*:1] C/C(=C\C(=O)[O-])c1ccc(cc1)C[*:1]
C/C(=C\C(=O)[O-])c1ccc(CC(C)C)cc1 O=C([O-])[*:1] CC(=C[*:1])c1ccc(cc1)CC(C)C
CN(C)c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1 CN(C)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NS(=O)(=O)c1cc(ccc1Br)[*:1]
CO[C@@H](C)c1nc(CS(=O)(=O)c2cc(C)ccc2C)cs1 CO[C@@H](C)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Cc1csc(n1)[*:1]
CNC(=O)Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 CNC(=O)[*:1] O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(cc1)C[*:1]
CNC(=O)Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 CNC(=O)C[*:1] O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(cc1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H]1OCC[C@@H]1C(=O)NCCOc1ccc(cc1)[*:1]
COc1cccc(CNC(=O)c2cccc(COc3ccc(C)nc3)c2)c1 Cc1ccc(cn1)[*:1] COc1cccc(c1)CNC(=O)c1cccc(c1)CO[*:1]
COc1cccc(CNC(=O)c2cccc(COc3ccc(C)nc3)c2)c1 COc1cccc(c1)C[*:1] Cc1ccc(cn1)OCc1cccc(c1)C(=O)N[*:1]
COc1cccc(CNC(=O)c2cccc(COc3ccc(C)nc3)c2)c1 Cc1ccc(cn1)OC[*:1] COc1cccc(c1)CNC(=O)c1cccc(c1)[*:1]
COc1cccc(CNC(=O)c2cccc(COc3ccc(C)nc3)c2)c1 Cc1ccc(cn1)O[*:1] COc1cccc(c1)CNC(=O)c1cccc(c1)C[*:1]
COc1cccc(CNC(=O)c2cccc(COc3ccc(C)nc3)c2)c1 COc1cccc(c1)[*:1] Cc1ccc(cn1)OCc1cccc(c1)C(=O)NC[*:1]
CCCCc1ccc(N2C(=O)S/C(=C(/C)c3cccc(N)c3)C2=O)cc1 CCCC[*:1] C/C(=C1/SC(=O)N(C1=O)c1ccc(cc1)[*:1])c1cccc(N)c1
CCCCc1ccc(N2C(=O)S/C(=C(/C)c3cccc(N)c3)C2=O)cc1 CCC[*:1] C/C(=C1/SC(=O)N(C1=O)c1ccc(cc1)C[*:1])c1cccc(N)c1
CCCCc1ccc(N2C(=O)S/C(=C(/C)c3cccc(N)c3)C2=O)cc1 Nc1cccc(c1)[*:1] CCCCc1ccc(cc1)N1C(=O)SC(C1=O)=C(C)[*:1]
C[C@@H](CNC(=O)[C@@H]1COc2ccccc2O1)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@H](CNC(=O)[C@@H]1COc2ccccc2O1)[*:1]
C[C@@H](CNC(=O)[C@@H]1COc2ccccc2O1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@@H]1COc2ccccc2O1)N(C)[*:1]
CCCCNC(=O)Cc1noc(CN2CCc3c([nH+]cn3C)C2)n1 CCC[*:1] Cn1c[nH+]c2CN(CCc21)Cc1nc(CC(=O)NC[*:1])no1
CCCCNC(=O)Cc1noc(CN2CCc3c([nH+]cn3C)C2)n1 CCCC[*:1] Cn1c[nH+]c2CN(CCc21)Cc1nc(CC(=O)N[*:1])no1
CCCCNC(=O)Cc1noc(CN2CCc3c([nH+]cn3C)C2)n1 CCCCNC(=O)[*:1] Cn1c[nH+]c2CN(CCc21)Cc1nc(C[*:1])no1
CCCCNC(=O)Cc1noc(CN2CCc3c([nH+]cn3C)C2)n1 CCCCNC(=O)C[*:1] Cn1c[nH+]c2CN(CCc21)Cc1nc(no1)[*:1]
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H](Oc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H](C1)[*:1]
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)N1CCC[C@@H](C1)C(=O)[O-]
CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1cccnc1)C2 c1cncc(c1)[*:1] CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)C[*:1]
CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1cccnc1)C2 c1cncc(c1)C[*:1] CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)[*:1]
CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1cccnc1)C2 CC(C)=C[*:1] O=C(Cc1cccnc1)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1cccnc1)C2 CC(C)=CC[*:1] O=C(Cc1cccnc1)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
CCOc1ccc(CNc2cccc(Cl)c2Cl)cc1 CCO[*:1] Clc1cccc(NCc2ccc(cc2)[*:1])c1Cl
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] Cc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N(C)C
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)Cc1ccc(Cl)c(Cl)c1)[*:1]
CC(C)c1nn(C)cc1C[NH2+]CCCn1cnc2ccccc21 CC(C)[*:1] Cn1cc(C[NH2+]CCCn2cnc3ccccc32)c(n1)[*:1]
Cc1cccc(CN2CCN(CC(=O)N3CCC(C)CC3)C(=O)C2=O)c1 Cc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)CN1CCN(C[*:1])C(=O)C1=O
Cc1cccc(CN2CCN(CC(=O)N3CCC(C)CC3)C(=O)C2=O)c1 Cc1cccc(c1)C[*:1] CC1CCN(CC1)C(=O)CN1CCN(C(=O)C1=O)[*:1]
Cc1ccc2c(c1)cc(CN(C(=S)NCc1ccccc1)C1CCCC1)c1nnnn12 C1CCC(C1)[*:1] Cc1ccc2c(c1)cc(CN(C(=S)NCc1ccccc1)[*:1])c1nnnn12
Cc1ccc2c(c1)cc(CN(C(=S)NCc1ccccc1)C1CCCC1)c1nnnn12 c1ccc(cc1)C[*:1] Cc1ccc2c(c1)cc(CN(C(=S)N[*:1])C1CCCC1)c1nnnn12
Cc1ccc2c(c1)cc(CN(C(=S)NCc1ccccc1)C1CCCC1)c1nnnn12 c1ccc(cc1)[*:1] Cc1ccc2c(c1)cc(CN(C(=S)NC[*:1])C1CCCC1)c1nnnn12
Cc1cc(NC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)ccc1OC1CCOCC1 CC(C)[*:1] Cc1cc(ccc1OC1CCOCC1)NC(=O)NC[C@@H]1CCO[C@H]1[*:1]
Cc1cc(NC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)ccc1OC1CCOCC1 C1CC(CCO1)[*:1] Cc1cc(ccc1O[*:1])NC(=O)NC[C@@H]1CCO[C@@H]1C(C)C
Cc1cc(NC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)ccc1OC1CCOCC1 C1CC(CCO1)O[*:1] Cc1cc(ccc1[*:1])NC(=O)NC[C@@H]1CCO[C@@H]1C(C)C
O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CCCN(C1)S(=O)(=O)c1ccc2[nH]c(nc2c1)[*:1]
O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)C1 Fc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc2[nH]c(nc2c1)-c1ccccc1
O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)C1 O=C(Nc1ccc(F)cc1)[*:1] O=S(=O)(c1ccc2[nH]c(nc2c1)-c1ccccc1)N1CCC[C@@H](C1)[*:1]
CC[C@@H](Br)C(=O)Nc1ccc(O)cc1 CC[C@@H](Br)[*:1] O=C(Nc1ccc(O)cc1)[*:1]
C[C@H](S[C@H](C)c1ccccc1)C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] C[C@H](S[C@H](C)c1ccccc1)C(=O)NC[*:1]
C[C@H](S[C@H](C)c1ccccc1)C(=O)NCc1ccccc1Cl c1ccc(cc1)[*:1] C[C@H](S[C@H](C)[*:1])C(=O)NCc1ccccc1Cl
Cn1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1NC(=O)C[C@H]2c1ccccc1 Fc1ccc(cc1)[*:1] Cn1nc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])c2c1NC(=O)C[C@H]2c1ccccc1
Cn1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1NC(=O)C[C@H]2c1ccccc1 c1ccc(cc1)[*:1] Cn1nc(NC(=O)[C@@H]2CC(=O)N(C2)c2ccc(F)cc2)c2c1NC(=O)C[C@@H]2[*:1]
CN1CC(=O)N(CCCC(C)(C)C(N)=S)CC1=O CC(C)(C(N)=S)[*:1] CN1CC(=O)N(CCC[*:1])CC1=O
CN1CC(=O)N(CCCC(C)(C)C(N)=S)CC1=O NC(=S)[*:1] CN1CC(=O)N(CCCC(C)(C)[*:1])CC1=O
COc1cc(NC(=O)NC2CCCC2)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)NC1CCCC1
COc1cc(NC(=O)NC2CCCC2)ccc1NC(C)=O C1CCC(C1)[*:1] COc1cc(ccc1NC(C)=O)NC(=O)N[*:1]
CN1C[C@@H](c2cc(=O)n3nc(-c4ccc(Cl)cc4Cl)cc3[nH]2)CC1=O Clc1ccc(c(Cl)c1)[*:1] CN1C[C@H](CC1=O)c1cc(=O)n2nc(cc2[nH]1)[*:1]
COc1ccccc1[C@H]([NH2+][C@@H]1CCc2ccc(C)cc21)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H]([NH2+][C@@H]1CCc2ccc(C)cc21)[*:1]
COc1ccccc1[C@H]([NH2+][C@@H]1CCc2ccc(C)cc21)c1ccccn1 COc1ccccc1[*:1] Cc1ccc2CC[C@@H]([NH2+][C@H](c3ccccn3)[*:1])c2c1
O=C([O-])C[C@H](NS(=O)(=O)c1cccs1)c1ccccc1Cl Clc1ccccc1[*:1] O=C([O-])C[C@H](NS(=O)(=O)c1cccs1)[*:1]
O=C([O-])C[C@H](NS(=O)(=O)c1cccs1)c1ccccc1Cl O=C([O-])C[*:1] O=S(=O)(N[C@H](c1ccccc1Cl)[*:1])c1cccs1
O=C([O-])C[C@H](NS(=O)(=O)c1cccs1)c1ccccc1Cl O=C([O-])[*:1] O=S(=O)(N[C@@H](C[*:1])c1ccccc1Cl)c1cccs1
O=C([O-])C[C@H](NS(=O)(=O)c1cccs1)c1ccccc1Cl c1csc(c1)[*:1] O=C([O-])C[C@H](NS(=O)(=O)[*:1])c1ccccc1Cl
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnc(-c2cccs2)s1 c1csc(c1)[*:1] COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnc(s1)[*:1]
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnc(-c2cccs2)s1 COC(=O)[*:1] O=C(c1cnc(s1)-c1cccs1)N1[C@H]2CCCC[C@@H]2C[C@H]1[*:1]
C[C@H]1Cc2cc(-c3csc(NC(=O)CCc4ccncc4)n3)ccc2O1 c1cc(ccn1)[*:1] C[C@H]1Cc2cc(ccc2O1)-c1csc(n1)NC(=O)CC[*:1]
C[C@H]1Cc2cc(-c3csc(NC(=O)CCc4ccncc4)n3)ccc2O1 c1cc(ccn1)CC[*:1] C[C@H]1Cc2cc(ccc2O1)-c1csc(n1)NC(=O)[*:1]
C[C@H]1Cc2cc(-c3csc(NC(=O)CCc4ccncc4)n3)ccc2O1 c1cc(ccn1)C[*:1] C[C@H]1Cc2cc(ccc2O1)-c1csc(n1)NC(=O)C[*:1]
CC(=O)N1CCN(C/C(N)=N/O)CC1 N/C(=N\O)[*:1] CC(=O)N1CCN(CC1)C[*:1]
COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC Cc1ccc(c(C)c1)[*:1] COc1cc(Br)c(/C=C(/C#N)C(=O)N[*:1])cc1OC
Cc1cc(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)on1 Cc1cc(on1)[*:1] O=S(=O)(c1cccc(Br)c1)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)on1 Brc1cccc(c1)[*:1] Cc1cc(CN2CCN(CC2)S(=O)(=O)[*:1])on1
Cc1cc(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)on1 Cc1cc(C[*:1])on1 O=S(=O)(c1cccc(Br)c1)N1CCN(CC1)[*:1]
CCc1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)o1 CCc1ccc(o1)[*:1] Cc1ncc(n1CCOC(=O)[*:1])[N+](=O)[O-]
CCc1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)o1 O=[N+]([O-])[*:1] CCc1ccc(o1)C(=O)OCCn1c(cnc1C)[*:1]
CC(C)C[NH2+]Cc1c[nH]nc1-c1ccc(F)c(Br)c1 CC(C)C[*:1] Fc1ccc(cc1Br)-c1n[nH]cc1C[NH2+][*:1]
CC(C)C[NH2+]Cc1c[nH]nc1-c1ccc(F)c(Br)c1 CC(C)[*:1] Fc1ccc(cc1Br)-c1n[nH]cc1C[NH2+]C[*:1]
COc1cccc(N2CCN(c3nn(-c4ccccc4)nc3C#N)CC2)c1 COc1cccc(c1)[*:1] N#Cc1nn(nc1N1CCN(CC1)[*:1])-c1ccccc1
COc1cccc(N2CCN(c3nn(-c4ccccc4)nc3C#N)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)c1nn(nc1C#N)[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N(Cc1ccccc1)C[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N(Cc1ccco1)C[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)C[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N(Cc1ccco1)[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)C[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N(Cc1ccccc1)[*:1]
Cc1ccc(OC(=O)Cc2cc(C)on2)c(C(=O)NCC(C)C)c1 Cc1cc(C[*:1])no1 Cc1ccc(OC(=O)[*:1])c(c1)C(=O)NCC(C)C
Cc1ccc(OC(=O)Cc2cc(C)on2)c(C(=O)NCC(C)C)c1 CC(C)[*:1] Cc1ccc(OC(=O)Cc2cc(C)on2)c(c1)C(=O)NC[*:1]
Cc1ccc(OC(=O)Cc2cc(C)on2)c(C(=O)NCC(C)C)c1 CC(C)CNC(=O)[*:1] Cc1ccc(OC(=O)Cc2cc(C)on2)c(c1)[*:1]
Cc1ccc(OC(=O)Cc2cc(C)on2)c(C(=O)NCC(C)C)c1 CC(C)C[*:1] Cc1ccc(OC(=O)Cc2cc(C)on2)c(c1)C(=O)N[*:1]
Cc1ccc(OC(=O)Cc2cc(C)on2)c(C(=O)NCC(C)C)c1 Cc1cc(no1)[*:1] Cc1ccc(OC(=O)C[*:1])c(c1)C(=O)NCC(C)C
N#Cc1ccc(-c2noc([C@@H]3CC3(Cl)Cl)n2)nc1 ClC1(Cl)C[C@H]1[*:1] N#Cc1ccc(nc1)-c1noc(n1)[*:1]
COc1cc(CN2CCN(C(=O)CC(F)(F)F)CC2)ccc1OC(F)F FC(F)(F)[*:1] COc1cc(ccc1OC(F)F)CN1CCN(CC1)C(=O)C[*:1]
COc1cc(CN2CCN(C(=O)CC(F)(F)F)CC2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])CN1CCN(CC1)C(=O)CC(F)(F)F
COc1cc(CN2CCN(C(=O)CC(F)(F)F)CC2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])CN1CCN(CC1)C(=O)CC(F)(F)F
COc1cc(CN2CCN(C(=O)CC(F)(F)F)CC2)ccc1OC(F)F FC(F)(F)C[*:1] COc1cc(ccc1OC(F)F)CN1CCN(CC1)C(=O)[*:1]
Cc1nc(CC(=O)N2CCC3(CC2)CC(=O)N(C[C@H]2CCCO2)C3)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N1CCC2(CC1)CC(=O)N(C[C@H]1CCCO1)C2
Cc1nc(CC(=O)N2CCC3(CC2)CC(=O)N(C[C@H]2CCCO2)C3)cs1 Cc1nc(cs1)C[*:1] O=C1CC2(CCN(CC2)C(=O)[*:1])CN1C[C@H]1CCCO1
Cc1nc(CC(=O)N2CCC3(CC2)CC(=O)N(C[C@H]2CCCO2)C3)cs1 C1CO[C@H](C1)C[*:1] Cc1nc(cs1)CC(=O)N1CCC2(CC1)CC(=O)N(C2)[*:1]
C[NH2+][C@@H](c1cscc1C)c1ccc(OC)cc1Br Cc1cscc1[*:1] C[NH2+][C@@H](c1ccc(cc1Br)OC)[*:1]
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(NC(=O)c3ccco3)c1)CS2 O=C(N[*:1])c1ccco1 C[C@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1cccc(c1)[*:1]
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(NC(=O)c3ccco3)c1)CS2 c1coc(c1)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1cccc(c1)NC(=O)[*:1]
N#CCc1ccc(OCc2cccc(N)c2)cc1 N#CC[*:1] Nc1cccc(c1)COc1ccc(cc1)[*:1]
CC(C)CN1C(N)=[NH+]C[C@]1(C)c1cccc2ccccc12 CC(C)[*:1] C[C@@]1(C[NH+]=C(N)N1C[*:1])c1cccc2ccccc12
CC(C)CN1C(N)=[NH+]C[C@]1(C)c1cccc2ccccc12 CC(C)C[*:1] C[C@@]1(C[NH+]=C(N)N1[*:1])c1cccc2ccccc12
COc1ccc(-c2cc(C(=O)N(C)Cc3ccnn3C)c3c(C)nn(C)c3n2)cc1 Cn1nccc1[*:1] COc1ccc(cc1)-c1cc(C(=O)N(C)C[*:1])c2c(C)nn(C)c2n1
COc1ccc(-c2cc(C(=O)N(C)Cc3ccnn3C)c3c(C)nn(C)c3n2)cc1 Cn1nccc1C[*:1] COc1ccc(cc1)-c1cc(C(=O)N(C)[*:1])c2c(C)nn(C)c2n1
COc1ccc(-c2cc(C(=O)N(C)Cc3ccnn3C)c3c(C)nn(C)c3n2)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(C)Cc3ccnn3C)c12)[*:1]
O=C(NCC(F)(F)F)N1CCN(C(=O)c2cccnc2)CC1 FC(F)(F)[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)c1cccnc1
O=C(NCC(F)(F)F)N1CCN(C(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] O=C(NCC(F)(F)F)N1CCN(CC1)C(=O)[*:1]
O=C(NCC(F)(F)F)N1CCN(C(=O)c2cccnc2)CC1 FC(F)(F)C[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1cccnc1
Cc1cccn2c(=O)cc(C[NH+](C(C)C)C3CCOCC3)nc12 CC(C)[*:1] Cc1cccn2c(=O)cc(C[NH+](C3CCOCC3)[*:1])nc12
Cc1cccn2c(=O)cc(C[NH+](C(C)C)C3CCOCC3)nc12 C1CC(CCO1)[*:1] Cc1cccn2c(=O)cc(C[NH+](C(C)C)[*:1])nc12
CC(C)c1ocnc1CS[C@H](C)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)c1ocnc1CS[C@H](C)C(=O)NC[*:1]
CC(C)c1ocnc1CS[C@H](C)C(=O)NCc1ccc(F)cc1 CC(C)[*:1] C[C@@H](SCc1ncoc1[*:1])C(=O)NCc1ccc(F)cc1
O=C(CCC1CCOCC1)N1CCN(c2ncccc2F)CC1 C1CC(CCO1)C[*:1] O=C(C[*:1])N1CCN(CC1)c1ncccc1F
O=C(CCC1CCOCC1)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=C(CCC1CCOCC1)N1CCN(CC1)[*:1]
O=C(CCC1CCOCC1)N1CCN(c2ncccc2F)CC1 C1CC(CCO1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ncccc1F
C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1N1CCC(O)CC1 CN1C[C@@H](CC1=O)[*:1] C[C@H](NC(=O)[*:1])c1cc(F)ccc1N1CCC(O)CC1
C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1N1CCC(O)CC1 OC1CCN(CC1)[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1[*:1]
CCn1cc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cn1 O=C([O-])[*:1] CCn1cc(cn1)CNC(=O)[C@H]1CC=CC[C@H]1[*:1]
CCn1cnnc1CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21 OCCC[*:1] CCn1cnnc1CNC(=O)N([C@@H]1CCc2ccccc21)[*:1]
CCn1cnnc1CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21 CCn1cnnc1[*:1] O=C(NC[*:1])N(CCCO)[C@@H]1CCc2ccccc21
CCn1cnnc1CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21 CCn1cnnc1C[*:1] O=C(N[*:1])N(CCCO)[C@@H]1CCc2ccccc21
CCn1cnnc1CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21 OCC[*:1] CCn1cnnc1CNC(=O)N(C[*:1])[C@@H]1CCc2ccccc21
Cc1c(C#N)c([O-])nc([O-])c1/C=N/c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] Cc1c(C#N)c([O-])nc([O-])c1/C=N/c1ccc(cc1)[*:1]
COc1ccc(N[C@H](C)C(=O)NCc2ccccc2C)cn1 Cc1ccccc1[*:1] COc1ccc(cn1)N[C@H](C)C(=O)NC[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1C(F)(F)F)[C@@H](O)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)c1ccccc1[*:1]
Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1ccccc1 c1coc(c1)C[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccccc1)C(=O)N[*:1]
Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1ccccc1 c1coc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccccc1)C(=O)NC[*:1]
Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])C(=O)NCc1ccco1
C[C@H]1CN(C(=O)CN2CCO[C@H](CC(=O)[O-])C2)CCO1 O=C([O-])C[*:1] C[C@H]1CN(CCO1)C(=O)CN1CCO[C@H](C1)[*:1]
C[C@H]1CN(C(=O)CN2CCO[C@H](CC(=O)[O-])C2)CCO1 O=C([O-])[*:1] C[C@H]1CN(CCO1)C(=O)CN1CCO[C@@H](C1)C[*:1]
O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(/C=C/c3ccc(F)cc3)nn12 Fc1ccc(cc1)[*:1] O=c1/c(=C/c2cccc(c2)[N+](=O)[O-])sc2nc(C=C[*:1])nn12
O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(/C=C/c3ccc(F)cc3)nn12 O=[N+]([O-])c1cccc(c1)[*:1] O=c1c(=C[*:1])sc2nc(/C=C/c3ccc(F)cc3)nn12
O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(/C=C/c3ccc(F)cc3)nn12 Fc1ccc(C=C[*:1])cc1 O=c1/c(=C/c2cccc(c2)[N+](=O)[O-])sc2nc(nn12)[*:1]
O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(/C=C/c3ccc(F)cc3)nn12 O=[N+]([O-])[*:1] O=c1/c(=C/c2cccc(c2)[*:1])sc2nc(/C=C/c3ccc(F)cc3)nn12
Cc1cccc(CN2CCCC[C@@H]2C[NH2+]C2CC2)n1 C1CC1[*:1] Cc1cccc(CN2CCCC[C@@H]2C[NH2+][*:1])n1
Cc1nc2ccccc2n1CCC[NH2+]Cc1c[nH]nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2ccccc2n1CCC[NH2+]Cc1c[nH]nc1[*:1]
FC(F)(F)CCN1C[C@@H](C2CC2)[NH2+]Cc2ccccc21 FC(F)(F)[*:1] c1ccc2c(c1)C[NH2+][C@@H](CN2CC[*:1])C1CC1
FC(F)(F)CCN1C[C@@H](C2CC2)[NH2+]Cc2ccccc21 FC(F)(F)C[*:1] c1ccc2c(c1)C[NH2+][C@@H](CN2C[*:1])C1CC1
FC(F)(F)CCN1C[C@@H](C2CC2)[NH2+]Cc2ccccc21 FC(F)(F)CC[*:1] c1ccc2c(c1)C[NH2+][C@@H](CN2[*:1])C1CC1
FC(F)(F)CCN1C[C@@H](C2CC2)[NH2+]Cc2ccccc21 C1CC1[*:1] FC(F)(F)CCN1C[C@@H]([NH2+]Cc2ccccc21)[*:1]
CC(C)[C@H](NC(=O)c1nnc2ccnn2c1[O-])C(=O)NC1CCCC1 C1CCC(C1)[*:1] CC(C)[C@H](NC(=O)c1nnc2ccnn2c1[O-])C(=O)N[*:1]
CC(C)[C@H](NC(=O)c1nnc2ccnn2c1[O-])C(=O)NC1CCCC1 CC(C)[*:1] O=C(N[C@H](C(=O)NC1CCCC1)[*:1])c1nnc2ccnn2c1[O-]
CC(C)[C@H](NC(=O)c1nnc2ccnn2c1[O-])C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] CC(C)[C@H](NC(=O)c1nnc2ccnn2c1[O-])[*:1]
CCCCC[C@@H]1C[C@@H](O)C=C(C)[C@@H]1C(=O)NN CCCC[*:1] CC1=C[C@H](O)C[C@@H](C[*:1])[C@H]1C(=O)NN
CCCCC[C@@H]1C[C@@H](O)C=C(C)[C@@H]1C(=O)NN CCCCC[*:1] CC1=C[C@H](O)C[C@H]([C@H]1C(=O)NN)[*:1]
CCCCC[C@@H]1C[C@@H](O)C=C(C)[C@@H]1C(=O)NN CCC[*:1] CC1=C[C@H](O)C[C@@H](CC[*:1])[C@H]1C(=O)NN
CCCCC[C@@H]1C[C@@H](O)C=C(C)[C@@H]1C(=O)NN NNC(=O)[*:1] CCCCC[C@@H]1C[C@@H](O)C=C(C)[C@H]1[*:1]
COc1ccc(OCc2nc(C(=O)N(C)Cc3nc(C)cs3)co2)cc1 COc1ccc(cc1)[*:1] Cc1csc(CN(C)C(=O)c2coc(CO[*:1])n2)n1
COc1ccc(OCc2nc(C(=O)N(C)Cc3nc(C)cs3)co2)cc1 Cc1csc(n1)[*:1] COc1ccc(cc1)OCc1nc(co1)C(=O)N(C)C[*:1]
COc1ccc(OCc2nc(C(=O)N(C)Cc3nc(C)cs3)co2)cc1 Cc1csc(C[*:1])n1 COc1ccc(cc1)OCc1nc(co1)C(=O)N(C)[*:1]
COCCCNC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1 COCCC[*:1] O=C(CN1CCN(CC1)C(=O)NC1CCCCC1)N[*:1]
COCCCNC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1 COCC[*:1] O=C(CN1CCN(CC1)C(=O)NC1CCCCC1)NC[*:1]
COCCCNC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1 COCCCNC(=O)[*:1] O=C(NC1CCCCC1)N1CCN(CC1)C[*:1]
COCCCNC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] COCCCNC(=O)CN1CCN(CC1)C(=O)N[*:1]
COCCCNC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1 COC[*:1] O=C(CN1CCN(CC1)C(=O)NC1CCCCC1)NCC[*:1]
CN(C)C(=O)CCNc1ccc(OC(F)F)cn1 FC(F)[*:1] CN(C)C(=O)CCNc1ccc(cn1)O[*:1]
CN(C)C(=O)CCNc1ccc(OC(F)F)cn1 CN(C)C(=O)[*:1] FC(F)Oc1ccc(nc1)NCC[*:1]
CN(C)C(=O)CCNc1ccc(OC(F)F)cn1 CN(C)C(=O)C[*:1] FC(F)Oc1ccc(nc1)NC[*:1]
CN(C)C(=O)CCNc1ccc(OC(F)F)cn1 FC(F)O[*:1] CN(C)C(=O)CCNc1ccc(cn1)[*:1]
CCOc1cccc([C@H]2NC(=O)[C@@H]3COCCN32)c1OC(F)F CCO[*:1] O=C1N[C@H](c2cccc(c2OC(F)F)[*:1])N2CCOC[C@@H]12
CCOc1cccc([C@H]2NC(=O)[C@@H]3COCCN32)c1OC(F)F FC(F)[*:1] CCOc1cccc(c1O[*:1])[C@H]1NC(=O)[C@@H]2COCCN21
CCOc1cccc([C@H]2NC(=O)[C@@H]3COCCN32)c1OC(F)F FC(F)O[*:1] CCOc1cccc(c1[*:1])[C@H]1NC(=O)[C@@H]2COCCN21
C[C@H]1C[C@H](NC(=O)COc2ccccc2C#N)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1[*:1])NC(=O)COc1ccccc1C#N
C[C@H]1C[C@H](NC(=O)COc2ccccc2C#N)CN1c1ccccc1 N#Cc1ccccc1[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)CO[*:1]
COC(=O)C(C)(C)CS(=O)(=O)C(C)C CC(C)[*:1] COC(=O)C(C)(C)CS(=O)(=O)[*:1]
COC(=O)C(C)(C)CS(=O)(=O)C(C)C COC(=O)[*:1] CC(C)S(=O)(=O)CC(C)(C)[*:1]
O=C(CSc1ccncc1)NCc1cc(Cl)c2c(c1)OCCO2 c1cc(ccn1)[*:1] O=C(CS[*:1])NCc1cc(Cl)c2OCCOc2c1
O=C(CSc1ccncc1)NCc1cc(Cl)c2c(c1)OCCO2 c1cc(ccn1)S[*:1] O=C(C[*:1])NCc1cc(Cl)c2OCCOc2c1
COC(=O)[C@H]1CCN(C(=O)c2cccc3[nH]ccc23)C1 COC(=O)[*:1] O=C(c1cccc2[nH]ccc12)N1CC[C@@H](C1)[*:1]
COCc1ccccc1S(=O)(=O)N(C)C[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] COCc1ccccc1S(=O)(=O)N(C)C[*:1]
COCc1ccccc1S(=O)(=O)N(C)C[C@H]1CCOC1 C1C[C@@H](CO1)C[*:1] COCc1ccccc1S(=O)(=O)N(C)[*:1]
COCc1ccccc1S(=O)(=O)N(C)C[C@H]1CCOC1 COC[*:1] CN(C[C@H]1CCOC1)S(=O)(=O)c1ccccc1[*:1]
CC1=NN(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)[C@@](O)(C(F)(F)F)C1 c1ccc(cc1)[*:1] CC1C[C@@](O)(N(N=1)C(=O)COc1ccc(cc1)C(C)(C)[*:1])C(F)(F)F
CC1=NN(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)[C@@](O)(C(F)(F)F)C1 CC(C)(c1ccccc1)[*:1] CC1C[C@@](O)(N(N=1)C(=O)COc1ccc(cc1)[*:1])C(F)(F)F
CC1=NN(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CC1C[C@](O)(N(N=1)C(=O)COc1ccc(cc1)C(C)(C)c1ccccc1)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 CC(C)[*:1] O=C(COc1ccc2oc3CCCCc3c2c1)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 CC(C)C(=O)N[*:1] O=C(COc1ccc2oc3CCCCc3c2c1)Nc1ccc(cc1)[*:1]
CCS[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C(C)C CC(C)[*:1] CCS[C@@H](C(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CCS[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C(C)C CCS[C@@H](C(C)C)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CCS[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C(C)C CCS[*:1] CC(C)[C@H](C(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CC[C@@H]1CN(Cc2nccs2)C2(CCCCC2)C[NH2+]1 c1csc(n1)[*:1] CC[C@@H]1CN(C[*:1])C2(CCCCC2)C[NH2+]1
CC[C@@H]1CN(Cc2nccs2)C2(CCCCC2)C[NH2+]1 c1csc(C[*:1])n1 CC[C@@H]1CN(C2(CCCCC2)C[NH2+]1)[*:1]
CCN1CCN(C(=O)[C@@H]2C=C(C(C)C)N=N2)CCC1=O CC(C)[*:1] CCN1CCN(CCC1=O)C(=O)[C@@H]1C=C(N=N1)[*:1]
Cc1ccc(CCC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1 CS(=O)(=O)N[*:1] Cc1ccc(cc1)CCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(CCC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)Nc1ccc(cc1)NC(=O)CC[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)NCC1(c2ccc(F)cc2)CCCC1 CC(C)C[*:1] NC(=O)N[C@H](C(=O)NCC1(CCCC1)c1ccc(F)cc1)[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)NCC1(c2ccc(F)cc2)CCCC1 NC(=O)N[*:1] CC(C)C[C@H](C(=O)NCC1(CCCC1)c1ccc(F)cc1)[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)NCC1(c2ccc(F)cc2)CCCC1 CC(C)[*:1] NC(=O)N[C@@H](C[*:1])C(=O)NCC1(CCCC1)c1ccc(F)cc1
CC(C)C[C@H](NC(N)=O)C(=O)NCC1(c2ccc(F)cc2)CCCC1 Fc1ccc(cc1)[*:1] CC(C)C[C@H](NC(N)=O)C(=O)NCC1(CCCC1)[*:1]
C[C@H](CNc1nnnn1-c1ccccc1)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](CNc1nnnn1-c1ccccc1)[*:1]
C[C@H](CNc1nnnn1-c1ccccc1)Cc1cccs1 c1csc(c1)[*:1] C[C@H](CNc1nnnn1-c1ccccc1)C[*:1]
C[C@H](CNc1nnnn1-c1ccccc1)Cc1cccs1 c1ccc(cc1)[*:1] C[C@H](CNc1nnnn1[*:1])Cc1cccs1
CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CCCC2(CCCCCC2)C1 c1ccc(cc1)[*:1] CS(=O)(=O)[C@@H](C[*:1])C(=O)N1CCCC2(CCCCCC2)C1
CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CCCC2(CCCCCC2)C1 c1ccc(cc1)C[*:1] CS(=O)(=O)[C@@H](C(=O)N1CCCC2(CCCCCC2)C1)[*:1]
CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CCCC2(CCCCCC2)C1 CS(=O)(=O)[*:1] O=C([C@H](Cc1ccccc1)[*:1])N1CCCC2(CCCCCC2)C1
CCc1nnc(NC(=S)NC(=O)c2ccc(C(=O)OC)cc2)s1 CCc1nnc(s1)[*:1] COC(=O)c1ccc(cc1)C(=O)NC(=S)N[*:1]
CCc1nnc(NC(=S)NC(=O)c2ccc(C(=O)OC)cc2)s1 COC(=O)[*:1] CCc1nnc(NC(=S)NC(=O)c2ccc(cc2)[*:1])s1
COc1ccc(-c2cc(N(C)CCCN3C(=O)CNC3=O)[nH][nH+]2)cc1 COc1ccc(cc1)[*:1] CN(CCCN1C(=O)CNC1=O)c1cc([nH+][nH]1)[*:1]
COc1ccc(-c2cc(N(C)CCCN3C(=O)CNC3=O)[nH][nH+]2)cc1 O=C1CNC(=O)N1[*:1] COc1ccc(cc1)-c1cc([nH][nH+]1)N(C)CCC[*:1]
COc1ccc(-c2cc(N(C)CCCN3C(=O)CNC3=O)[nH][nH+]2)cc1 O=C1CNC(=O)N1C[*:1] COc1ccc(cc1)-c1cc([nH][nH+]1)N(C)CC[*:1]
Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@H]1C(C#N)=C(N)Oc2[nH]nc(c21)[*:1]
Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)o1 Cc1ccc(o1)[*:1] N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1[*:1]
CCO[C@H]1C[C@H](N(C)C(=O)N[C@@H](C)c2nncn2C)C1(CC)CC C[C@@H](c1nncn1C)[*:1] CCO[C@H]1C[C@H](N(C)C(=O)N[*:1])C1(CC)CC
CCO[C@H]1C[C@H](N(C)C(=O)N[C@@H](C)c2nncn2C)C1(CC)CC CCO[*:1] CCC1(CC)[C@H](C[C@@H]1[*:1])N(C)C(=O)N[C@@H](C)c1nncn1C
CCO[C@H]1C[C@H](N(C)C(=O)N[C@@H](C)c2nncn2C)C1(CC)CC Cn1cnnc1[*:1] CCO[C@H]1C[C@H](N(C)C(=O)N[C@@H](C)[*:1])C1(CC)CC
O=C(c1ccncc1)N(CC(F)F)c1cccc(Cl)c1 FC(F)[*:1] O=C(c1ccncc1)N(C[*:1])c1cccc(Cl)c1
O=C(c1ccncc1)N(CC(F)F)c1cccc(Cl)c1 c1cc(ccn1)[*:1] O=C(N(CC(F)F)c1cccc(Cl)c1)[*:1]
O=C(c1ccncc1)N(CC(F)F)c1cccc(Cl)c1 FC(F)C[*:1] O=C(c1ccncc1)N(c1cccc(Cl)c1)[*:1]
CSCCC[NH+](C)Cc1c(C)nn(-c2ccccc2)c1C CSCC[*:1] Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)C[*:1]
CSCCC[NH+](C)Cc1c(C)nn(-c2ccccc2)c1C CSC[*:1] Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)CC[*:1]
CSCCC[NH+](C)Cc1c(C)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] CSCCC[NH+](C)Cc1c(C)nn(c1C)[*:1]
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)N3CCCC3)cc2c1 Cc1ccc(cc1)[*:1] CCOc1ccc2[nH]c(=O)c(cc2c1)CN(C[*:1])C(=O)N1CCCC1
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)N3CCCC3)cc2c1 Cc1ccc(cc1)C[*:1] CCOc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)N1CCCC1)[*:1]
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)N3CCCC3)cc2c1 CCO[*:1] Cc1ccc(cc1)CN(Cc1cc2cc(ccc2[nH]c1=O)[*:1])C(=O)N1CCCC1
COc1c(C)cccc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] COc1c(C)cccc1C(=O)NC(=S)N1CCN(CC1)c1c(Cl)cccc1[*:1]
COc1c(C)cccc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1cccc(Cl)c1[*:1] COc1c(C)cccc1C(=O)NC(=S)N1CCN(CC1)[*:1]
COc1c(C)cccc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 COc1c(C)cccc1[*:1] O=C(NC(=S)N1CCN(CC1)c1c(Cl)cccc1[N+](=O)[O-])[*:1]
COC(=O)c1ccc(/C=C/C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1 COC(=O)[*:1] C[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(cc2)[*:1])[C@@H]1C
COC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](C)C2 COC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)c1ccco1)c2[*:1]
COC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](C)C2 c1coc(c1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc2C[C@H](C)CCc21
Cc1ccc(CCC(=O)N2CCC[C@@H](N3CCOCC3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(CC[*:1])N1CCC[C@H](C1)N1CCOCC1
Cc1ccc(CCC(=O)N2CCC[C@@H](N3CCOCC3)C2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)CCC(=O)N1CCC[C@@H](C1)[*:1]
CSC(C)(C)CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] CSC(C)(C)CNC(=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
CSC(C)(C)CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 CSC(C)(C)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)Cc1ccccc1
CSC(C)(C)CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 CSC(C)(C)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)Cc1ccccc1
CSC(C)(C)CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CSC(C)(C)CNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1nc(CCCS(=O)(=O)Cc2nc(C3CC3)no2)cs1 C1CC1[*:1] Cc1nc(cs1)CCCS(=O)(=O)Cc1nc(no1)[*:1]
Cc1nc(CCCS(=O)(=O)Cc2nc(C3CC3)no2)cs1 Cc1nc(cs1)[*:1] O=S(=O)(CCC[*:1])Cc1nc(no1)C1CC1
Cc1nc(CCCS(=O)(=O)Cc2nc(C3CC3)no2)cs1 Cc1nc(cs1)C[*:1] O=S(=O)(CC[*:1])Cc1nc(no1)C1CC1
CCN(CC(C)C)C(=O)[C@@H](C)Cl C[C@@H](Cl)[*:1] CCN(CC(C)C)C(=O)[*:1]
CCN(CC(C)C)C(=O)[C@@H](C)Cl CC(C)C[*:1] CCN(C(=O)[C@@H](C)Cl)[*:1]
CCN(CC(C)C)C(=O)[C@@H](C)Cl CC(C)[*:1] CCN(C[*:1])C(=O)[C@@H](C)Cl
O=C(CN1CCN(CC(F)(F)F)CC1)N1CCCC1 FC(F)(F)C[*:1] O=C(CN1CCN(CC1)[*:1])N1CCCC1
O=C(CN1CCN(CC(F)(F)F)CC1)N1CCCC1 FC(F)(F)[*:1] O=C(CN1CCN(CC1)C[*:1])N1CCCC1
C[C@@H](CO)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 C[C@@H](CO)[*:1] O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[*:1]
COC(=O)c1cccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(cc1)CN1C(=O)c2ccccc2C1=O
O=C1CSc2cc(C(=O)NCc3ccc(CC(=O)N4CCCCC4)cc3)ccc2N1 O=C(C[*:1])N1CCCCC1 O=C1CSc2cc(ccc2N1)C(=O)NCc1ccc(cc1)[*:1]
O=C1CSc2cc(C(=O)NCc3ccc(CC(=O)N4CCCCC4)cc3)ccc2N1 O=C(N1CCCCC1)[*:1] O=C1CSc2cc(ccc2N1)C(=O)NCc1ccc(cc1)C[*:1]
C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCCC2CCCCC2)CC1 C1CCC(CC1)CC[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)CC(=O)N[*:1]
C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCCC2CCCCC2)CC1 C1CCC(CC1)[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)CC(=O)NCC[*:1]
C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCCC2CCCCC2)CC1 C1CCC(CC1)C[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)CC(=O)NC[*:1]
C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCCC2CCCCC2)CC1 C[C@H](C(=O)N1CCCC1)[*:1] O=C(CN1CCN(CC1)[*:1])NCCC1CCCCC1
C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCCC2CCCCC2)CC1 O=C(N1CCCC1)[*:1] C[C@H](N1CCN(CC1)CC(=O)NCCC1CCCCC1)[*:1]
C[C@@H](O)C[C@H]1CCCCN1S(C)(=O)=O C[C@@H](O)C[*:1] CS(=O)(=O)N1CCCC[C@@H]1[*:1]
C[C@@H](O)C[C@H]1CCCCN1S(C)(=O)=O C[C@@H](O)[*:1] CS(=O)(=O)N1CCCC[C@@H]1C[*:1]
N#CCCNC(=O)[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 N#CCC[*:1] O=C(N[*:1])[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
N#CCCNC(=O)[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 N#CC[*:1] O=C(NC[*:1])[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
C[C@H]1CCCCN1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)NC[C@@H]1CCN(C1)[*:1]
CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O CC(C)(C)C(=O)C[*:1] O=C(O[*:1])c1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O
CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O CC(C)(C)[*:1] O=C(OCC(=O)[*:1])c1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O
CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O CC(C)(C)C(=O)[*:1] O=C(OC[*:1])c1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O
C[NH2+]Cc1c(C)nn(C(C)C)c1C CC(C)[*:1] C[NH2+]Cc1c(C)nn(c1C)[*:1]
N#Cc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)c1 N#Cc1cccc(c1)[*:1] O=C(NC[*:1])[C@@H]1CCCCN1C(=O)c1ccccc1
N#Cc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)CNC(=O)[C@@H]1CCCCN1C(=O)[*:1]
NC(=S)N/N=C/c1cc(Cl)c2nc(-c3ccccc3)ccc2c1 c1ccc(cc1)[*:1] NC(=S)N/N=C/c1cc(Cl)c2nc(ccc2c1)[*:1]
NC(=S)N/N=C/c1cc(Cl)c2nc(-c3ccccc3)ccc2c1 NC(=S)NN=C[*:1] Clc1cc(cc2ccc(nc12)-c1ccccc1)[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)O[C@H](C)[C@@H]2CCOC2)C1 CC(C)C[*:1] C[C@@H](OC(=O)[C@H]1CCCN(C1)C(=O)N[*:1])[C@@H]1CCOC1
CC(C)CNC(=O)N1CCC[C@H](C(=O)O[C@H](C)[C@@H]2CCOC2)C1 CC(C)[*:1] C[C@@H](OC(=O)[C@H]1CCCN(C1)C(=O)NC[*:1])[C@@H]1CCOC1
CC(C)CNC(=O)N1CCC[C@H](C(=O)O[C@H](C)[C@@H]2CCOC2)C1 C1C[C@H](CO1)[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)O[C@H](C)[*:1]
COc1ccnc(COC(=O)c2cccc(-c3noc(C)n3)c2)c1 COc1ccnc(c1)[*:1] Cc1nc(no1)-c1cccc(c1)C(=O)OC[*:1]
COc1ccnc(COC(=O)c2cccc(-c3noc(C)n3)c2)c1 Cc1nc(no1)[*:1] COc1ccnc(c1)COC(=O)c1cccc(c1)[*:1]
CCCc1nc([C@H](NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c2ccccc2)no1 CCC[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N[C@H](c1ccccc1)c1noc(n1)[*:1]
CCCc1nc([C@H](NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c2ccccc2)no1 c1ccc(cc1)[*:1] CCCc1nc(no1)[C@H](NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CCCc1nc([C@H](NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c2ccccc2)no1 CCCc1nc(no1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N[C@H](c1ccccc1)[*:1]
CN1C(=O)CO[C@H](C(=O)NCCC[NH+](C)C)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)CO[C@H](C(=O)NCCC[NH+](C)C)[C@H]1[*:1]
COCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 COC[*:1] Fc1ccc(cc1)-c1csc2ncnc(NCC[*:1])c12
COCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 COCC[*:1] Fc1ccc(cc1)-c1csc2ncnc(NC[*:1])c12
COCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 COCCCN[*:1] Fc1ccc(cc1)-c1csc2ncnc(c12)[*:1]
COCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 Fc1ccc(cc1)[*:1] COCCCNc1ncnc2scc(c12)[*:1]
COCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 COCCC[*:1] Fc1ccc(cc1)-c1csc2ncnc(N[*:1])c12
C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)N[*:1]
Cc1[nH]c(=O)c(C(=O)N(C)Cc2nc(-c3ccccn3)no2)c(C)c1Cl c1ccc(nc1)[*:1] Cc1[nH]c(=O)c(C(=O)N(C)Cc2nc(no2)[*:1])c(C)c1Cl
CCC[NH+]1CCC(CNC(=O)N2CCC[NH+](C(C)C)CC2)CC1 CCC[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)NCC1CC[NH+](CC1)[*:1]
CCC[NH+]1CCC(CNC(=O)N2CCC[NH+](C(C)C)CC2)CC1 CC(C)[*:1] CCC[NH+]1CCC(CC1)CNC(=O)N1CCC[NH+](CC1)[*:1]
N#CCOc1cccc(-n2cccc2)c1 N#CC[*:1] c1cc(cc(c1)-n1cccc1)O[*:1]
N#CCOc1cccc(-n2cccc2)c1 N#CCO[*:1] c1cc(cc(c1)[*:1])-n1cccc1
N#CCOc1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] N#CCOc1cccc(c1)[*:1]
Cc1cc([C@@H](C)NC(=O)N(Cc2cccc(F)c2)C2CC2)c(C)o1 Fc1cccc(c1)C[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)N(C1CC1)[*:1]
Cc1cc([C@@H](C)NC(=O)N(Cc2cccc(F)c2)C2CC2)c(C)o1 Fc1cccc(c1)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)N(C[*:1])C1CC1
Cc1cc([C@@H](C)NC(=O)N(Cc2cccc(F)c2)C2CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H](NC(=O)N(Cc1cccc(F)c1)C1CC1)[*:1]
Cc1cc([C@@H](C)NC(=O)N(Cc2cccc(F)c2)C2CC2)c(C)o1 C1CC1[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)N(Cc1cccc(F)c1)[*:1]
Cc1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1NC(=O)c1ccccc1F Fc1ccccc1[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)N[C@]1(C)CCS(=O)(=O)C1
CC[C@H](C(=O)[O-])C1=CCCc2c(C)ccc(C)c21 O=C([O-])[*:1] CC[C@H](C1=CCCc2c(C)ccc(C)c21)[*:1]
O=C(NCc1cc(Cl)ccn1)Nc1ccc2c(c1)OC1(CCCC1)O2 Clc1ccnc(c1)[*:1] O=C(NC[*:1])Nc1ccc2OC3(CCCC3)Oc2c1
O=C(NCc1cc(Cl)ccn1)Nc1ccc2c(c1)OC1(CCCC1)O2 Clc1ccnc(c1)C[*:1] O=C(Nc1ccc2OC3(CCCC3)Oc2c1)N[*:1]
COc1ccc(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)cc1Cl CC(C)(C)C(=O)N[*:1] COc1ccc(cc1Cl)NC(=O)Cc1csc(n1)[*:1]
COc1ccc(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)cc1Cl CC(C)(C)[*:1] COc1ccc(cc1Cl)NC(=O)Cc1csc(n1)NC(=O)[*:1]
O=C(CCc1ccco1)Nc1ccc(-c2cn3ccsc3n2)cc1 c1coc(c1)CC[*:1] O=C(Nc1ccc(cc1)-c1cn2ccsc2n1)[*:1]
O=C(CCc1ccco1)Nc1ccc(-c2cn3ccsc3n2)cc1 c1coc(c1)C[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1cn2ccsc2n1
O=C(CCc1ccco1)Nc1ccc(-c2cn3ccsc3n2)cc1 c1coc(c1)[*:1] O=C(CC[*:1])Nc1ccc(cc1)-c1cn2ccsc2n1
O=C(CCc1ccco1)Nc1ccc(-c2cn3ccsc3n2)cc1 c1cn2cc(nc2s1)[*:1] O=C(CCc1ccco1)Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2nnc(SCC(=O)N3CCCCC3)s2)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)NC(=O)c1nnc(SC[*:1])s1
Cc1ccc(NC(=O)c2nnc(SCC(=O)N3CCCCC3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(SCC(=O)N2CCCCC2)s1
CC(=O)N[C@@H](CC(=O)OCC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)OCC(=O)N1CCc2ccccc21)[*:1]
CC(=O)N[C@@H](CC(=O)OCC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccc(Cl)cc1)[*:1])OCC(=O)N1CCc2ccccc21
Cc1cnccc1CN(C)C(=O)c1ccc(-c2ccccc2)[nH]1 Cc1cnccc1[*:1] CN(C[*:1])C(=O)c1ccc([nH]1)-c1ccccc1
Cc1cnccc1CN(C)C(=O)c1ccc(-c2ccccc2)[nH]1 c1ccc(cc1)[*:1] Cc1cnccc1CN(C)C(=O)c1ccc([nH]1)[*:1]
C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[*:1]
C=CC1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 CC(C)(C)[*:1] C=CC1CC[NH+](CC1)Cc1c[nH]nc1[*:1]
O=C(Cn1cnc2sccc2c1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] O=C(Cn1cnc2sccc2c1=O)N1CCC[C@@H](C1)[*:1]
COCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 COCC(=O)N[*:1] Brc1ccc(cc1)Oc1ccc(cc1)[*:1]
COCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 COC[*:1] O=C(Nc1ccc(cc1)Oc1ccc(Br)cc1)[*:1]
O=C1C(=O)N(Cc2cccs2)c2c(F)cccc21 c1csc(c1)C[*:1] O=C1C(=O)N(c2c(F)cccc21)[*:1]
O=C1C(=O)N(Cc2cccs2)c2c(F)cccc21 c1csc(c1)[*:1] O=C1C(=O)N(C[*:1])c2c(F)cccc21
O=S(=O)([N-]c1cccc2c[nH]nc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=S(=O)([N-]c1cccc2c[nH]nc12)c1ccc(cc1)[*:1]
CCn1c(C(=O)OC)c(N)c2c1-c1ccccc1-n1nnnc1-2 COC(=O)[*:1] CCn1c2-c3ccccc3-n3nnnc3-c2c(N)c1[*:1]
O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 c1ccc(cc1)[*:1] O=C(Nc1ncc(C[*:1])s1)c1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 c1ccc(cc1)C[*:1] O=C(Nc1ncc(s1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(cc1)[*:1]
O=C(N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)c1cscn1 FC(F)(F)[*:1] O=C(N[C@H](C(=O)[O-])c1ccccc1[*:1])c1cscn1
O=C(N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)c1cscn1 c1nc(cs1)[*:1] O=C([O-])[C@@H](NC(=O)[*:1])c1ccccc1C(F)(F)F
O=C(N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)c1cscn1 O=C([O-])[*:1] O=C(N[C@H](c1ccccc1C(F)(F)F)[*:1])c1cscn1
C[C@@H](Nc1ccc(F)cc1I)C1CC1 C1CC1[*:1] C[C@@H](Nc1ccc(F)cc1I)[*:1]
O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccc(N2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccc(cc1)[*:1]
O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccc(N2CCOCC2)cc1 Fc1ccccc1[*:1] O=C(N[C@@H]1CCCc2c1cnn2[*:1])c1ccc(cc1)N1CCOCC1
CC(=O)N[C@H](CC(=O)N[C@H](c1cccs1)C(C)C)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@H](CC(=O)N[C@H](c1cccs1)C(C)C)[*:1]
CC(=O)N[C@H](CC(=O)N[C@H](c1cccs1)C(C)C)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@H](CC(=O)N[C@H](C(C)C)[*:1])c1cccs1
CC(=O)N[C@H](CC(=O)N[C@H](c1cccs1)C(C)C)c1cccs1 CC(=O)N[*:1] CC(C)[C@H](NC(=O)C[C@H](c1cccs1)[*:1])c1cccs1
CC(=O)N[C@H](CC(=O)N[C@H](c1cccs1)C(C)C)c1cccs1 CC(C)[*:1] CC(=O)N[C@H](CC(=O)N[C@H](c1cccs1)[*:1])c1cccs1
CCOc1cc2c(cc1NC(=O)N(C)CCOC)O[C@@H](C)C2 CCO[*:1] COCCN(C)C(=O)Nc1cc2O[C@@H](C)Cc2cc1[*:1]
CCOc1cc2c(cc1NC(=O)N(C)CCOC)O[C@@H](C)C2 COCC[*:1] CCOc1cc2C[C@H](C)Oc2cc1NC(=O)N(C)[*:1]
CCOc1cc2c(cc1NC(=O)N(C)CCOC)O[C@@H](C)C2 COC[*:1] CCOc1cc2C[C@H](C)Oc2cc1NC(=O)N(C)C[*:1]
COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1S(=O)(=O)NC1CC1 O=S(=O)(NC1CC1)[*:1] COc1ccc(cc1[*:1])C(=O)N[C@H]1CCCC[C@H]1C
COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1S(=O)(=O)NC1CC1 C1CC1[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N[C@H]1CCCC[C@H]1C
CCCOc1ccc(S(=O)(=O)NC(C)C)c2ccccc12 CC(C)[*:1] CCCOc1ccc(c2ccccc12)S(=O)(=O)N[*:1]
CCCOc1ccc(S(=O)(=O)NC(C)C)c2ccccc12 CC(C)NS(=O)(=O)[*:1] CCCOc1ccc(c2ccccc12)[*:1]
CCCOc1ccc(S(=O)(=O)NC(C)C)c2ccccc12 CCC[*:1] CC(C)NS(=O)(=O)c1ccc(O[*:1])c2ccccc12
CCCOc1ccc(S(=O)(=O)NC(C)C)c2ccccc12 CCCO[*:1] CC(C)NS(=O)(=O)c1ccc(c2ccccc12)[*:1]
C[C@@H](CCCO)[NH2+][C@H](C)c1cnccn1 OCC[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)c1cnccn1
C[C@@H](CCCO)[NH2+][C@H](C)c1cnccn1 OCCC[*:1] C[C@@H]([NH2+][C@H](C)c1cnccn1)[*:1]
CNC(=O)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1F CNC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1cc(F)c(F)c(F)c1F
O=C(NCc1cc(F)ccc1Br)NC[C@H](O)c1ccco1 O[C@H](c1ccco1)[*:1] O=C(NCc1cc(F)ccc1Br)NC[*:1]
O=C(NCc1cc(F)ccc1Br)NC[C@H](O)c1ccco1 c1coc(c1)[*:1] O=C(NCc1cc(F)ccc1Br)NC[C@H](O)[*:1]
CCC(=O)Nc1nc2ccc(NC(=O)CCc3nc(-c4ccc(C)cc4)no3)cc2s1 Cc1ccc(cc1)[*:1] CCC(=O)Nc1nc2ccc(cc2s1)NC(=O)CCc1nc(no1)[*:1]
CCC(=O)Nc1nc2ccc(NC(=O)CCc3nc(-c4ccc(C)cc4)no3)cc2s1 CCC(=O)N[*:1] Cc1ccc(cc1)-c1noc(CCC(=O)Nc2ccc3nc(sc3c2)[*:1])n1
CCOc1cc(C(=O)Oc2ccccc2OC)cc(Br)c1OC CCO[*:1] COc1ccccc1OC(=O)c1cc(Br)c(OC)c(c1)[*:1]
CN(Cc1nc(C(F)(F)F)cs1)C(=O)CSCC(N)=O NC(=O)C[*:1] CN(Cc1nc(cs1)C(F)(F)F)C(=O)CS[*:1]
CN(Cc1nc(C(F)(F)F)cs1)C(=O)CSCC(N)=O NC(=O)[*:1] CN(Cc1nc(cs1)C(F)(F)F)C(=O)CSC[*:1]
CN(Cc1nc(C(F)(F)F)cs1)C(=O)CSCC(N)=O FC(F)(F)[*:1] CN(Cc1nc(cs1)[*:1])C(=O)CSCC(N)=O
CN(Cc1nc(C(F)(F)F)cs1)C(=O)CSCC(N)=O NC(=O)CSC[*:1] CN(Cc1nc(cs1)C(F)(F)F)C(=O)[*:1]
CN(Cc1nc(C(F)(F)F)cs1)C(=O)CSCC(N)=O NC(=O)CS[*:1] CN(Cc1nc(cs1)C(F)(F)F)C(=O)C[*:1]
O=C1CC[C@@H](C(=O)Nc2ccc3c(c2)CCCO3)O1 O=C1CC[C@@H](O1)[*:1] O=C(Nc1ccc2OCCCc2c1)[*:1]
Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1[*:1])C(=O)N[C@H]1CCCC[C@@H]1C
Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)N[C@H]1CCCC[C@@H]1C
O=C1C[C@H]([C@@H]2N=CC(c3cccnc3)=N2)CN1Cc1cccnc1 c1cncc(c1)[*:1] O=C1C[C@@H](CN1C[*:1])[C@@H]1N=CC(=N1)c1cccnc1
O=C1C[C@H]([C@@H]2N=CC(c3cccnc3)=N2)CN1Cc1cccnc1 c1cncc(c1)C[*:1] O=C1C[C@@H](CN1[*:1])[C@@H]1N=CC(=N1)c1cccnc1
O=C1C[C@H]([C@@H]2N=CC(c3cccnc3)=N2)CN1Cc1cccnc1 c1cncc(c1)[*:1] O=C1C[C@@H](CN1Cc1cccnc1)[C@@H]1N=CC(=N1)[*:1]
O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc2ccccc2c1 O=[N+]([O-])[*:1] O=C(NCCC(=O)N1CCN(CC1)Cc1cccc(c1)[*:1])c1ccc2ccccc2c1
O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] O=C(CCNC(=O)[*:1])N1CCN(CC1)Cc1cccc(c1)[N+](=O)[O-]
O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc2ccccc2c1 O=[N+]([O-])c1cccc(c1)C[*:1] O=C(NCCC(=O)N1CCN(CC1)[*:1])c1ccc2ccccc2c1
O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc2ccccc2c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NCCC(=O)N1CCN(CC1)C[*:1])c1ccc2ccccc2c1
Cc1cc(CN(C)C(=O)Nc2ccccc2F)on1 Cc1cc(on1)[*:1] CN(C[*:1])C(=O)Nc1ccccc1F
CC1(C)N=C(O)N(C[C@@H](O)CN2CCN(c3nsc4ccccc34)CC2)C1=O c1ccc2c(nsc2c1)[*:1] CC1(C)N=C(O)N(C[C@@H](O)CN2CCN(CC2)[*:1])C1=O
COc1cc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)ccc1OCc1cccc(C)c1 Cc1cccc(c1)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1CC(=O)Nc2nc(N)[nH]c(=O)c21
COc1cc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)ccc1OCc1cccc(C)c1 Cc1cccc(c1)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1CC(=O)Nc2nc(N)[nH]c(=O)c21
COc1cc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)ccc1OCc1cccc(C)c1 Cc1cccc(c1)CO[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(=O)Nc2nc(N)[nH]c(=O)c21
COc1ccc(C(=O)C[n+]2cccc(C(=O)N/N=C/c3ccco3)c2)cc1 COc1ccc(cc1)[*:1] O=C(N/N=C/c1ccco1)c1ccc[n+](c1)CC(=O)[*:1]
COc1ccc(C(=O)C[n+]2cccc(C(=O)N/N=C/c3ccco3)c2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C(=O)C[n+]1cccc(c1)C(=O)NN=C[*:1]
COc1cc(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c2ccccc2n1 C1CC1[*:1] COc1cc(CNC(=O)N[C@@H]2CC(=O)N(C2)[*:1])c2ccccc2n1
c1coc(C2=NN=C(NC3CC3)SC2)c1 c1coc(c1)[*:1] C1SC(=NN=C1[*:1])NC1CC1
c1coc(C2=NN=C(NC3CC3)SC2)c1 C1CC1[*:1] c1coc(c1)C1CSC(=NN=1)N[*:1]
C[C@@H](CCl)CS(=O)(=O)N[C@H](c1cccs1)C1CCCC1 C[C@@H](CCl)[*:1] O=S(=O)(C[*:1])N[C@H](c1cccs1)C1CCCC1
C[C@@H](CCl)CS(=O)(=O)N[C@H](c1cccs1)C1CCCC1 C1CCC(C1)[*:1] C[C@@H](CCl)CS(=O)(=O)N[C@H](c1cccs1)[*:1]
C[C@@H](CCl)CS(=O)(=O)N[C@H](c1cccs1)C1CCCC1 c1csc(c1)[*:1] C[C@@H](CCl)CS(=O)(=O)N[C@H](C1CCCC1)[*:1]
O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1ccc(C(=O)[O-])cc1 OCC[*:1] O=C(C[C@@H]1S/C(=N\c2ccccc2)N(C1=O)[*:1])Nc1ccc(cc1)C(=O)[O-]
O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1ccc(cc1)[*:1]
O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1ccc(C(=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1SC(=N[*:1])N(CCO)C1=O)Nc1ccc(cc1)C(=O)[O-]
O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])c1ccc(cc1)[*:1] O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCO)C1=O)N[*:1]
O[C@H](CN1CCN(c2ccccc2F)CC1)Cn1nnnc1-c1ccccc1 Fc1ccccc1[*:1] O[C@H](CN1CCN(CC1)[*:1])Cn1nnnc1-c1ccccc1
O[C@H](CN1CCN(c2ccccc2F)CC1)Cn1nnnc1-c1ccccc1 c1ccc(cc1)[*:1] O[C@H](CN1CCN(CC1)c1ccccc1F)Cn1nnnc1[*:1]
Cc1cc(C)c(Cn2c([C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)nc3ccccc32)c(C)c1 c1cc2OCOc2cc1[*:1] Cc1cc(C)c(Cn2c(nc3ccccc32)[C@@H]2CC(=O)N(C2)[*:1])c(C)c1
Cc1cc(C)c(Cn2c([C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)nc3ccccc32)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C1C[C@H](CN1c1ccc2OCOc2c1)c1nc2ccccc2n1C[*:1]
Cc1cc(C)c(Cn2c([C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)nc3ccccc32)c(C)c1 Cc1cc(C)c(C[*:1])c(C)c1 O=C1C[C@H](CN1c1ccc2OCOc2c1)c1nc2ccccc2n1[*:1]
CC[NH+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] CC[NH+](Cc1ccc(cc1)C(=O)N(C)C)Cc1ccccc1[*:1]
CC[NH+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1N1CCOCC1 CN(C)C(=O)[*:1] CC[NH+](Cc1ccc(cc1)[*:1])Cc1ccccc1N1CCOCC1
C[C@@H](NC(=O)N(CCO)[C@@H]1CCCc2ccccc21)[C@@H]1CCCO1 OCC[*:1] C[C@@H](NC(=O)N([C@@H]1CCCc2ccccc21)[*:1])[C@@H]1CCCO1
C[C@@H](NC(=O)N(CCO)[C@@H]1CCCc2ccccc21)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)N(CCO)[C@@H]1CCCc2ccccc21)[*:1]
NC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2CCc3sc(Cl)cc32)C1 NC(=O)[*:1] Clc1cc2c(CC[C@@H]2[NH2+][C@@H]2CCC[C@@H](C2)[*:1])s1
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC[C@H](O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(ccc1NC(=O)C(=O)NC[C@H](O)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC[C@H](O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)C(=O)NC[C@H](O)C[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC[C@H](O)Cc1ccccc1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)C(=O)NC[C@H](O)Cc1ccccc1)[*:1]
Cc1n[nH]c(-c2ccc(C(=O)NC[C@]3([NH+](C)C)CCC[C@@H](C)C3)cc2)n1 Cc1n[nH]c(n1)[*:1] C[C@@H]1CCC[C@@](CNC(=O)c2ccc(cc2)[*:1])(C1)[NH+](C)C
CCn1nc(C)c(NC(=O)N[C@H](CC(=O)OC)c2ccccc2)c1C COC(=O)[*:1] CCn1nc(C)c(NC(=O)N[C@H](C[*:1])c2ccccc2)c1C
CCn1nc(C)c(NC(=O)N[C@H](CC(=O)OC)c2ccccc2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)N[C@H](CC(=O)OC)[*:1])c1C
CCn1nc(C)c(NC(=O)N[C@H](CC(=O)OC)c2ccccc2)c1C COC(=O)C[*:1] CCn1nc(C)c(NC(=O)N[C@H](c2ccccc2)[*:1])c1C
CN(C)NC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCCC2 Brc1ccc(cc1)[*:1] CN(C)NC(=O)c1c(NC(=O)[*:1])sc2CCCCCc21
CN(C)NC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCCC2 CN(C)NC(=O)[*:1] O=C(Nc1sc2CCCCCc2c1[*:1])c1ccc(Br)cc1
CC[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1ccc(cc1)CN1CC[NH+](C)CC1)[*:1]
C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 C[C@H](O)[*:1] O=C1[C@@H]2[C@H](N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1Cc1ccc2OCOc2c1)[*:1]
C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 c1cc2OCOc2cc1C[*:1] C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 c1cc2OCOc2cc1[*:1] C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
Cc1noc(Cl)c1CCC(=O)NCc1csc(C2CC2)n1 C1CC1[*:1] Cc1noc(Cl)c1CCC(=O)NCc1csc(n1)[*:1]
Cc1noc(Cl)c1CCC(=O)NCc1csc(C2CC2)n1 Cc1noc(Cl)c1[*:1] O=C(CC[*:1])NCc1csc(n1)C1CC1
CC[C@H](CO)N(Cc1ccco1)C(=O)c1sccc1NC(C)=O c1coc(c1)[*:1] CC[C@H](CO)N(C[*:1])C(=O)c1sccc1NC(C)=O
CC[C@H](CO)N(Cc1ccco1)C(=O)c1sccc1NC(C)=O c1coc(c1)C[*:1] CC[C@H](CO)N(C(=O)c1sccc1NC(C)=O)[*:1]
CC[C@H](CO)N(Cc1ccco1)C(=O)c1sccc1NC(C)=O CC(=O)N[*:1] CC[C@H](CO)N(Cc1ccco1)C(=O)c1sccc1[*:1]
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccccc2C)[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC1C[C@H]([C@@H](CC=1C)C(=O)NNC(=O)c1ccccc1C)[*:1]
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccccc2C)[C@@H](C(=O)[O-])C1 Cc1ccccc1[*:1] CC1C[C@H](C(=O)[O-])[C@@H](CC=1C)C(=O)NNC(=O)[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)NC2=NC(SCc3ccc(F)cc3)=NC(=O)[C@@H]21 Cc1c(Cl)cccc1[*:1] O=C1C[C@H](C(=O)N[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1ccc(F)cc1
Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)NC2=NC(SCc3ccc(F)cc3)=NC(=O)[C@@H]21 Fc1ccc(cc1)C[*:1] Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)S[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)NC2=NC(SCc3ccc(F)cc3)=NC(=O)[C@@H]21 Fc1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)SC[*:1]
O=C1NC(=O)[C@@](Cc2ccccc2)(C2CCN(C(=O)C3(N4CCOCC4)CCCCC3)CC2)N1 c1ccc(cc1)[*:1] O=C1NC(=O)[C@](C[*:1])(N1)C1CCN(CC1)C(=O)C1(CCCCC1)N1CCOCC1
O=C1NC(=O)[C@@](Cc2ccccc2)(C2CCN(C(=O)C3(N4CCOCC4)CCCCC3)CC2)N1 c1ccc(cc1)C[*:1] O=C1NC(=O)[C@](N1)(C1CCN(CC1)C(=O)C1(CCCCC1)N1CCOCC1)[*:1]
O=C1NC(=O)[C@@](Cc2ccccc2)(C2CCN(C(=O)C3(N4CCOCC4)CCCCC3)CC2)N1 C1CN(CCO1)[*:1] O=C1NC(=O)[C@](Cc2ccccc2)(N1)C1CCN(CC1)C(=O)C1(CCCCC1)[*:1]
N#CCCn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O N#CC[*:1] O=c1c(cc(nn1C[*:1])-c1ccccc1)C(F)(F)F
N#CCCn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O FC(F)(F)[*:1] N#CCCn1nc(cc(c1=O)[*:1])-c1ccccc1
N#CCCn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O N#CCC[*:1] O=c1c(cc(nn1[*:1])-c1ccccc1)C(F)(F)F
N#CCCn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O c1ccc(cc1)[*:1] N#CCCn1nc(cc(c1=O)C(F)(F)F)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)OC(=O)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)C(=O)O[*:1]
Cc1cccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)C(C)(C)O[*:1]
Cc1cccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)O[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)C(C)(C)[*:1]
Cc1cccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)c1 Cc1cccc(c1)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)[*:1]
CC(C)[C@@H](C)CC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 CC(C)[*:1] C[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1ccc(F)cc1)[*:1]
CC(C)[C@@H](C)CC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](C)CC(=O)N1CCCN(CC1)C(=O)[*:1]
Fc1ccc(C(F)(F)F)cc1NCc1cnc(Cl)s1 Clc1ncc(s1)[*:1] Fc1ccc(cc1NC[*:1])C(F)(F)F
Fc1ccc(C(F)(F)F)cc1NCc1cnc(Cl)s1 FC(F)(F)[*:1] Fc1ccc(cc1NCc1cnc(Cl)s1)[*:1]
C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCCCC1CCCC1)CS2 C1CCC(C1)[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)NCCCC[*:1]
C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCCCC1CCCC1)CS2 C1CCC(C1)C[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)NCCC[*:1]
C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCCCC1CCCC1)CS2 C1CCC(C1)CC[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)NCC[*:1]
C[C@H]1CCC[C@H](OCC(=O)N2CC[C@H](C(N)=O)c3ccccc32)C1 NC(=O)[*:1] C[C@H]1CCC[C@@H](C1)OCC(=O)N1CC[C@H](c2ccccc21)[*:1]
C[C@H]1CCC[C@H](OCC(=O)N2CC[C@H](C(N)=O)c3ccccc32)C1 C[C@H]1CCC[C@H](C1)[*:1] NC(=O)[C@H]1CCN(C(=O)CO[*:1])c2ccccc21
C[C@H]1CCC[C@H](OCC(=O)N2CC[C@H](C(N)=O)c3ccccc32)C1 C[C@H]1CCC[C@@H](C1)O[*:1] NC(=O)[C@H]1CCN(C(=O)C[*:1])c2ccccc21
Cc1ccc(-n2nnnc2SCC[S@@](=O)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)-n1nnnc1SCC[S@@](=O)[*:1]
Cc1ccc(-n2nnnc2SCC[S@@](=O)c2ccccc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=[S@](CCSc1nnnn1[*:1])c1ccccc1
CC(C)(C)C(=O)NCc1ccc(-c2ncncc2-c2ccncc2)cc1 CC(C)(C)[*:1] O=C(NCc1ccc(cc1)-c1ncncc1-c1ccncc1)[*:1]
CC(C)(C)C(=O)NCc1ccc(-c2ncncc2-c2ccncc2)cc1 CC(C)(C)C(=O)N[*:1] c1cc(ccn1)-c1cncnc1-c1ccc(cc1)C[*:1]
CC(C)(C)C(=O)NCc1ccc(-c2ncncc2-c2ccncc2)cc1 CC(C)(C)C(=O)NC[*:1] c1cc(ccn1)-c1cncnc1-c1ccc(cc1)[*:1]
CC(C)(C)C(=O)NCc1ccc(-c2ncncc2-c2ccncc2)cc1 c1cc(ccn1)[*:1] CC(C)(C)C(=O)NCc1ccc(cc1)-c1ncncc1[*:1]
Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C Cc1ccccc1[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1ccccc1N(C)C
Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C CN(C)[*:1] Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[*:1]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1 O=[N+]([O-])[*:1] COc1ccc(cc1S(=O)(=O)[N-]c1cccc(F)c1)[*:1]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccc(cc1S(=O)(=O)[N-][*:1])[N+](=O)[O-]
Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(=O)N4CCCCC4)cn(C)c3=O)CC2=O)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1cc(cn(C)c1=O)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(=O)N4CCCCC4)cn(C)c3=O)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cn1cc(cc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])c1=O)C(=O)N1CCCCC1
CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 CC[C@@H](CO)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)-c1ccccc1
COCCOc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc32)cc1 COC[*:1] C[C@H]([NH2+][C@H]1COc2ccccc21)c1ccc(cc1)OC[*:1]
COCCOc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc32)cc1 COCC[*:1] C[C@H]([NH2+][C@H]1COc2ccccc21)c1ccc(cc1)O[*:1]
COCCOc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc32)cc1 COCCO[*:1] C[C@H]([NH2+][C@H]1COc2ccccc21)c1ccc(cc1)[*:1]
N#C[C@H](OC(=O)c1cc(F)cc(Br)c1)C1CC1 C1CC1[*:1] N#C[C@H](OC(=O)c1cc(F)cc(Br)c1)[*:1]
CSC1=NCCN1C(=O)c1ccc(OC(C)C)cc1 CC(C)[*:1] CSC1=NCCN1C(=O)c1ccc(cc1)O[*:1]
CSC1=NCCN1C(=O)c1ccc(OC(C)C)cc1 CC(C)O[*:1] CSC1=NCCN1C(=O)c1ccc(cc1)[*:1]
CNC(=O)Nc1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)cc1 C1CCCN(CC1)[*:1] CNC(=O)Nc1ccc(cc1)NC(=O)c1ccc(nc1)[*:1]
CNC(=O)Nc1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)cc1 CNC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(nc1)N1CCCCCC1
Cc1cc(C)c2c(c1)N(C(=O)CCn1cncn1)CCC2 c1ncn(n1)[*:1] Cc1cc(C)c2CCCN(C(=O)CC[*:1])c2c1
Cc1cc(C)c2c(c1)N(C(=O)CCn1cncn1)CCC2 c1ncn(CC[*:1])n1 Cc1cc(C)c2CCCN(C(=O)[*:1])c2c1
Cc1cc(C)c2c(c1)N(C(=O)CCn1cncn1)CCC2 c1ncn(C[*:1])n1 Cc1cc(C)c2CCCN(C(=O)C[*:1])c2c1
CN(CCOCC1CC1)C(=O)C(=O)Nc1cccc(F)c1 C1CC1COC[*:1] CN(C[*:1])C(=O)C(=O)Nc1cccc(F)c1
CN(CCOCC1CC1)C(=O)C(=O)Nc1cccc(F)c1 C(C[*:1])OCC1CC1 CN(C(=O)C(=O)Nc1cccc(F)c1)[*:1]
CN(CCOCC1CC1)C(=O)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] CN(CCOCC1CC1)C(=O)C(=O)N[*:1]
CN(CCOCC1CC1)C(=O)C(=O)Nc1cccc(F)c1 C1CC1[*:1] CN(CCOC[*:1])C(=O)C(=O)Nc1cccc(F)c1
CN(CCOCC1CC1)C(=O)C(=O)Nc1cccc(F)c1 C1CC1C[*:1] CN(CCO[*:1])C(=O)C(=O)Nc1cccc(F)c1
CN(CCOCC1CC1)C(=O)C(=O)Nc1cccc(F)c1 C1CC1CO[*:1] CN(CC[*:1])C(=O)C(=O)Nc1cccc(F)c1
CC(C)(C)N(CC(=O)[O-])C(=O)c1ccc(N)cc1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)c1ccc(N)cc1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)c1ccc(N)cc1 CC(C)(C)[*:1] Nc1ccc(cc1)C(=O)N(CC(=O)[O-])[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)c1ccc(N)cc1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)c1ccc(N)cc1
CCC[C@H](CO)c1ccccc1C CCC[*:1] Cc1ccccc1[C@@H](CO)[*:1]
CCCC[NH2+][C@@H](C)Cn1ccnc1 CCC[*:1] C[C@@H](Cn1ccnc1)[NH2+]C[*:1]
CCCC[NH2+][C@@H](C)Cn1ccnc1 CCCC[*:1] C[C@@H](Cn1ccnc1)[NH2+][*:1]
CC[C@H](CCO)Nc1ccc2cc(Br)ccc2n1 CC[C@H](CCO)[*:1] Brc1ccc2nc(ccc2c1)N[*:1]
CC[C@H](CCO)Nc1ccc2cc(Br)ccc2n1 OCC[*:1] CC[C@H](Nc1ccc2cc(Br)ccc2n1)[*:1]
CC(=O)Nc1nc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cs1 CC(=O)N[*:1] Clc1cccc(c1)N1CC[NH+](CC1)Cc1csc(n1)[*:1]
CC(=O)Nc1nc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cs1 Clc1cccc(c1)[*:1] CC(=O)Nc1nc(cs1)C[NH+]1CCN(CC1)[*:1]
O=C(N[C@@H](CO)c1ccco1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(N[C@@H](CO)c1ccco1)c1cccc(c1)[*:1]
O=C(N[C@@H](CO)c1ccco1)c1cccc([N+](=O)[O-])c1 c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1cccc(c1)[N+](=O)[O-]
COCCCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)[C@@]1(C)Nc2ccccc2C(=O)N1CC[*:1]
COCCCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)[C@@]1(C)Nc2ccccc2C(=O)N1C[*:1]
COCCCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(C)cc1 COCCC[*:1] Cc1ccc(cc1)[C@@]1(C)Nc2ccccc2C(=O)N1[*:1]
COCCCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCCCN1C(=O)c2ccccc2N[C@@]1(C)[*:1]
CCC[C@@H]1C[C@@H]([C@H]([NH2+]CC)C(C)C)CCO1 CC(C)[*:1] CCC[C@@H]1C[C@H](CCO1)[C@H]([NH2+]CC)[*:1]
CCC[C@@H]1C[C@@H]([C@H]([NH2+]CC)C(C)C)CCO1 CCC[*:1] CC[NH2+][C@H](C(C)C)[C@H]1CCO[C@@H](C1)[*:1]
Fc1ccccc1[C@H](C[NH2+]C1CC1)CC1CCOCC1 C1CC1[*:1] Fc1ccccc1[C@H](C[NH2+][*:1])CC1CCOCC1
Fc1ccccc1[C@H](C[NH2+]C1CC1)CC1CCOCC1 C1CC(CCO1)[*:1] Fc1ccccc1[C@H](C[NH2+]C1CC1)C[*:1]
CCCCCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 CCC[*:1] CN(C)S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
CCCCCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 CCCCC[*:1] CN(C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCCCCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 CCCC[*:1] CN(C)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1cccc2c(CCNC(=O)NC[C@@H](O)C(C)(C)C)c[nH]c12 CC(C)(C)[*:1] Cc1cccc2c(c[nH]c12)CCNC(=O)NC[C@@H](O)[*:1]
Cn1ncc(CN2CCCC3(C2)OCCO3)c1C(F)(F)F FC(F)(F)[*:1] Cn1ncc(CN2CCCC3(C2)OCCO3)c1[*:1]
C=CCNC(=O)NC(=O)COC(=O)c1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] C=CCNC(=O)NC(=O)COC(=O)c1cccc(c1)[*:1]
C=CCNC(=O)NC(=O)COC(=O)c1cccc(S(C)(=O)=O)c1 C=CC[*:1] CS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)NC(=O)N[*:1]
C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(s1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)CNC(=O)c1cc2occc2n1C Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)CNC(=O)c1cc2occc2n1C
CN(Cc1ccc(F)cc1)C(=O)CNC(=O)c1cc2occc2n1C Fc1ccc(cc1)C[*:1] CN(C(=O)CNC(=O)c1cc2occc2n1C)[*:1]
CNC(=O)CC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 CNC(=O)[*:1] O=C([C@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 CNC(=O)C[*:1] O=C([C@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCC1CCC1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1C(=O)NCC1CCC1)[*:1]
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCC1CCC1 C1CC(C1)C[*:1] C[C@H]1C[C@@H](CN1C(=O)N[*:1])c1ccc(F)cc1
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCC1CCC1 C1CC(C1)[*:1] C[C@H]1C[C@@H](CN1C(=O)NC[*:1])c1ccc(F)cc1
CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cnn(C)c2)c1 CNS(=O)(=O)[*:1] CN(Cc1cnn(C)c1)C(=O)c1cccc(c1)[*:1]
CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cnn(C)c2)c1 Cn1cc(cn1)C[*:1] CNS(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] CNS(=O)(=O)c1cccc(c1)C(=O)N(C)C[*:1]
CN/C(=[NH+]\CCOC)N(C)Cc1ccccc1Cl COC[*:1] CN/C(=[NH+]\C[*:1])N(C)Cc1ccccc1Cl
CN/C(=[NH+]\CCOC)N(C)Cc1ccccc1Cl COCC[*:1] CNC(=[NH+][*:1])N(C)Cc1ccccc1Cl
Cc1cccn2c(=O)cc(C[NH+](CCO)C(C)C)nc12 CC(C)[*:1] Cc1cccn2c(=O)cc(C[NH+](CCO)[*:1])nc12
Cc1cccn2c(=O)cc(C[NH+](CCO)C(C)C)nc12 OCC[*:1] Cc1cccn2c(=O)cc(C[NH+](C(C)C)[*:1])nc12
N#Cc1cccc(NC(=O)c2cc(S(N)(=O)=O)ccc2F)c1 NS(=O)(=O)[*:1] N#Cc1cccc(c1)NC(=O)c1cc(ccc1F)[*:1]
Cc1csc(C[S@@](=O)CC(=O)Nc2ccc(Cl)cc2C)n1 Cc1csc(n1)[*:1] Cc1cc(Cl)ccc1NC(=O)C[S@](=O)C[*:1]
Cc1csc(C[S@@](=O)CC(=O)Nc2ccc(Cl)cc2C)n1 Cc1csc(C[*:1])n1 Cc1cc(Cl)ccc1NC(=O)C[S@](=O)[*:1]
CCC[C@@H](O)c1ccn(C[C@H]2CN(CC)CCO2)c1 CCC[C@@H](O)[*:1] CCN1CCO[C@H](C1)Cn1ccc(c1)[*:1]
CCC[C@@H](O)c1ccn(C[C@H]2CN(CC)CCO2)c1 CCC[*:1] CCN1CCO[C@H](C1)Cn1ccc(c1)[C@H](O)[*:1]
C/[NH+]=C(/NCCN1C(=O)CNC1=O)NCc1ncc(C)s1 O=C1CNC(=O)N1[*:1] C/[NH+]=C(/NCC[*:1])NCc1ncc(C)s1
C/[NH+]=C(/NCCN1C(=O)CNC1=O)NCc1ncc(C)s1 Cc1cnc(s1)[*:1] C/[NH+]=C(/NCCN1C(=O)CNC1=O)NC[*:1]
C/[NH+]=C(/NCCN1C(=O)CNC1=O)NCc1ncc(C)s1 Cc1cnc(C[*:1])s1 C/[NH+]=C(/NCCN1C(=O)CNC1=O)N[*:1]
C/C=C/C[S@@](=O)CC(=O)Nc1c(C)cccc1C(C)C CC(C)[*:1] C/C=C/C[S@@](=O)CC(=O)Nc1c(C)cccc1[*:1]
C/C=C/C[S@@](=O)CC(=O)Nc1c(C)cccc1C(C)C C/C=C/C[*:1] Cc1cccc(c1NC(=O)C[S@](=O)[*:1])C(C)C
C/C=C/C[S@@](=O)CC(=O)Nc1c(C)cccc1C(C)C CC=C[*:1] Cc1cccc(c1NC(=O)C[S@](=O)C[*:1])C(C)C
Cc1c2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c(C)n1Cc1ccc(F)cc1 FC(F)(F)[*:1] Cc1c2cnn(CC(=O)Nc3cccc(c3)[*:1])c(=O)c2c(C)n1Cc1ccc(F)cc1
Cc1c2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c(C)n1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1c2cnn(CC(=O)Nc3cccc(c3)C(F)(F)F)c(=O)c2c(C)n1[*:1]
Cc1c2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c(C)n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c2cnn(CC(=O)Nc3cccc(c3)C(F)(F)F)c(=O)c2c(C)n1C[*:1]
Cc1c2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c(C)n1Cc1ccc(F)cc1 FC(F)(F)c1cccc(c1)[*:1] Cc1c2cnn(CC(=O)N[*:1])c(=O)c2c(C)n1Cc1ccc(F)cc1
Cc1cccnc1NC(=O)Cn1ccc(=O)c2cccc(F)c21 Cc1cccnc1[*:1] O=C(Cn1ccc(=O)c2cccc(F)c21)N[*:1]
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC2CC2)C1 C1CC1[*:1] NC(=O)[C@@]1(CCC[C@H](C1)OC[*:1])[NH2+]C1CC1
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC2CC2)C1 C1CC1[*:1] NC(=O)[C@@]1(CCC[C@H](C1)OCC1CC1)[NH2+][*:1]
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC2CC2)C1 NC(=O)[*:1] C1C[C@H](C[C@@](C1)([NH2+]C1CC1)[*:1])OCC1CC1
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC2CC2)C1 C1CC1C[*:1] NC(=O)[C@@]1(CCC[C@H](C1)O[*:1])[NH2+]C1CC1
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC2CC2)C1 C1CC1CO[*:1] NC(=O)[C@@]1(CCC[C@@H](C1)[*:1])[NH2+]C1CC1
CCc1ccc([C@@H](C)NC(=O)C[n+]2ccc(C)cc2)cc1 Cc1cc[n+](cc1)[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)C[*:1]
CC(C)C(=O)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O CC(C)C(=O)N[*:1] O=C1CSC(=O)N1[C@@H]1CCCC[C@H]1[*:1]
CC(C)C(=O)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O CC(C)[*:1] O=C1CSC(=O)N1[C@@H]1CCCC[C@H]1NC(=O)[*:1]
C[C@H]1CN(C(=O)NCc2ncn(C)n2)CC[C@@H]1c1ccccc1 Cn1cnc(C[*:1])n1 C[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)N[*:1]
C[C@H]1CN(C(=O)NCc2ncn(C)n2)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CN(CC[C@H]1[*:1])C(=O)NCc1ncn(C)n1
C[C@H]1CN(C(=O)NCc2ncn(C)n2)CC[C@@H]1c1ccccc1 Cn1cnc(n1)[*:1] C[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)NC[*:1]
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Cc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CN(Cc1cn(nc1-c1cccs1)-c1ccccc1)C(=O)Cc1ccc(cc1)[*:1]
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Cc1ccc(N2CCCC2=O)cc1 c1ccc(cc1)[*:1] CN(Cc1cn(nc1-c1cccs1)[*:1])C(=O)Cc1ccc(cc1)N1CCCC1=O
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Cc1ccc(N2CCCC2=O)cc1 c1csc(c1)[*:1] CN(Cc1cn(nc1[*:1])-c1ccccc1)C(=O)Cc1ccc(cc1)N1CCCC1=O
CC(=O)NCCc1ccccc1[N+](=O)[O-] CC(=O)NC[*:1] O=[N+]([O-])c1ccccc1C[*:1]
CC(=O)NCCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=O)NCCc1ccccc1[*:1]
CC(=O)NCCc1ccccc1[N+](=O)[O-] CC(=O)N[*:1] O=[N+]([O-])c1ccccc1CC[*:1]
O=C(c1cc2n(n1)CCC[NH+](Cc1ccc(-c3cc[nH]n3)o1)C2)N1CCCC1 c1cc(n[nH]1)[*:1] O=C(c1cc2C[NH+](CCCn2n1)Cc1ccc(o1)[*:1])N1CCCC1
O=C(c1cc2n(n1)CCC[NH+](Cc1ccc(-c3cc[nH]n3)o1)C2)N1CCCC1 O=C(N1CCCC1)[*:1] c1cc(n[nH]1)-c1ccc(C[NH+]2CCCn3nc(cc3C2)[*:1])o1
COc1ccccc1[C@H](CNC(=O)Nc1ccncc1)[NH+]1CCCCC1 COc1ccccc1[*:1] O=C(NC[C@H]([NH+]1CCCCC1)[*:1])Nc1ccncc1
COc1ccccc1[C@H](CNC(=O)Nc1ccncc1)[NH+]1CCCCC1 c1cc(ccn1)[*:1] COc1ccccc1[C@H](CNC(=O)N[*:1])[NH+]1CCCCC1
C=C(C)[C@@H]1CC(N)=C(C(C)=O)C1 C=C(C)[*:1] CC(=O)C1C[C@@H](CC=1N)[*:1]
C=C(C)[C@@H]1CC(N)=C(C(C)=O)C1 CC(=O)[*:1] C=C(C)[C@@H]1CC(N)=C(C1)[*:1]
Cc1ccccc1[C@@H](O)CNC(=O)N[C@@H](C)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] Cc1ccccc1[C@@H](O)CNC(=O)N[C@@H](C)[*:1]
Cc1ccccc1[C@@H](O)CNC(=O)N[C@@H](C)c1c(F)cccc1Cl Cc1ccccc1[*:1] C[C@H](NC(=O)NC[C@H](O)[*:1])c1c(F)cccc1Cl
Cc1cc(CN2CC[NH+](C3CCSCC3)CC2)on1 Cc1cc(on1)[*:1] C1CC(CCS1)[NH+]1CCN(CC1)C[*:1]
Cc1cc(CN2CC[NH+](C3CCSCC3)CC2)on1 C1CC(CCS1)[*:1] Cc1cc(CN2CC[NH+](CC2)[*:1])on1
COc1ccccc1CN(Cc1ccco1)C(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1 c1ccc(cc1)[*:1] COc1ccccc1CN(Cc1ccco1)C(=O)C1OCCS(=O)(=O)C=1[*:1]
COc1ccccc1CN(Cc1ccco1)C(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1 COc1ccccc1[*:1] O=C(C1OCCS(=O)(=O)C=1c1ccccc1)N(Cc1ccco1)C[*:1]
COc1ccccc1CN(Cc1ccco1)C(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1 c1coc(c1)[*:1] COc1ccccc1CN(C[*:1])C(=O)C1OCCS(=O)(=O)C=1c1ccccc1
COc1ccccc1CN(Cc1ccco1)C(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1 COc1ccccc1C[*:1] O=C(C1OCCS(=O)(=O)C=1c1ccccc1)N(Cc1ccco1)[*:1]
COc1ccccc1CN(Cc1ccco1)C(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1 c1coc(c1)C[*:1] COc1ccccc1CN(C(=O)C1OCCS(=O)(=O)C=1c1ccccc1)[*:1]
CC[NH2+][C@H]1[C@@H](S(=O)(=O)CC(C)C)CCCC1(C)C CC(C)C[*:1] CC[NH2+][C@H]1[C@H](CCCC1(C)C)S(=O)(=O)[*:1]
CC[NH2+][C@H]1[C@@H](S(=O)(=O)CC(C)C)CCCC1(C)C CC(C)[*:1] CC[NH2+][C@H]1[C@H](CCCC1(C)C)S(=O)(=O)C[*:1]
Cc1sc2nc(SCC(=O)NCc3cccnc3)nc(N)c2c1C c1cncc(c1)C[*:1] Cc1sc2nc(nc(N)c2c1C)SCC(=O)N[*:1]
Cc1sc2nc(SCC(=O)NCc3cccnc3)nc(N)c2c1C c1cncc(c1)[*:1] Cc1sc2nc(nc(N)c2c1C)SCC(=O)NC[*:1]
COc1cc(/C=C2\NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O Cc1ccc(c(C)c1)[*:1] COc1cc(/C=C2\NC(=S)N(C2=O)[*:1])ccc1O
O=C(Nc1nc2ccccc2[nH]1)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(Nc1nc2ccccc2[nH]1)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](c3ccccc3)c3ccc4c(c3)CCCO4)C2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](c1ccc2OCCCc2c1)[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](c3ccccc3)c3ccc4c(c3)CCCO4)C2)cc1 c1cc2OCCCc2cc1[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](c3ccccc3)c3ccc4c(c3)CCCO4)C2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@@H](c1ccccc1)c1ccc2OCCCc2c1)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1cc(NC(=O)CSc2ccccc2Cl)cc(OC)c1 Clc1ccccc1[*:1] COc1cc(cc(c1)OC)NC(=O)CS[*:1]
O=C([C@@H]1CCCO1)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C([C@@H]1CCCO1)N1CCCC[C@H]1[*:1]
O=C([C@@H]1CCCO1)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C([C@@H]1CCCO1)N1CCCC[C@@H]1C[*:1]
O=C([C@@H]1CCCO1)N1CCCC[C@@H]1Cn1cccn1 C1CO[C@@H](C1)[*:1] O=C(N1CCCC[C@@H]1Cn1cccn1)[*:1]
Cc1cccc(N2N=C(C(=O)NC(C)(C)C#N)CCC2=O)c1 CC(C)(C#N)[*:1] Cc1cccc(c1)N1N=C(CCC1=O)C(=O)N[*:1]
Cc1cccc(N2N=C(C(=O)NC(C)(C)C#N)CCC2=O)c1 Cc1cccc(c1)[*:1] CC(C)(C#N)NC(=O)C1CCC(=O)N(N=1)[*:1]
CCCc1c(C(=O)NNC(=O)c2ccc(C)o2)[nH]c(C)c1C(=O)OC CCC[*:1] COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(C)o2)c1[*:1]
CCCc1c(C(=O)NNC(=O)c2ccc(C)o2)[nH]c(C)c1C(=O)OC Cc1ccc(o1)[*:1] CCCc1c([nH]c(C)c1C(=O)OC)C(=O)NNC(=O)[*:1]
CCCc1c(C(=O)NNC(=O)c2ccc(C)o2)[nH]c(C)c1C(=O)OC COC(=O)[*:1] CCCc1c([nH]c(C)c1[*:1])C(=O)NNC(=O)c1ccc(C)o1
CC[C@@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1c(C)nn(C)c1C Fc1cccc(c1)[*:1] CC[C@@H](NC(=O)N1CCO[C@@H](C1)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)N1CCO[C@H](C1)c1cccc(F)c1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] CCN(C[C@H]1CCOC1)C(=O)NC[C@H](c1ccccc1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)NC[C@H](c1ccccc1)N1CCOCC1
CCN(C[C@H]1CCOC1)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] CCN(C[C@H]1CCOC1)C(=O)NC[C@H](N1CCOCC1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 C1C[C@@H](CO1)C[*:1] CCN(C(=O)NC[C@H](c1ccccc1)N1CCOCC1)[*:1]
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl Clc1ccccc1[*:1] CC(=NNC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl O=[N+]([O-])[*:1] C/C(=N\NC(=O)c1ccc(cc1)[*:1])c1ccccc1Cl
CC(C)CCNc1ncnc(NC2CCCCCC2)c1N CC(C)[*:1] Nc1c(ncnc1NC1CCCCCC1)NCC[*:1]
CC(C)CCNc1ncnc(NC2CCCCCC2)c1N CC(C)CC[*:1] Nc1c(ncnc1N[*:1])NC1CCCCCC1
CC(C)CCNc1ncnc(NC2CCCCCC2)c1N C1CCCC(CC1)[*:1] CC(C)CCNc1ncnc(N[*:1])c1N
CC(C)CCNc1ncnc(NC2CCCCCC2)c1N CC(C)CCN[*:1] Nc1c(ncnc1[*:1])NC1CCCCCC1
CC(C)CCNc1ncnc(NC2CCCCCC2)c1N CC(C)C[*:1] Nc1c(ncnc1NC1CCCCCC1)NC[*:1]
C[C@H]1CCC[C@@H](OCC(=O)OCc2nc(C3CC3)cs2)C1 C1CC1[*:1] C[C@H]1CCC[C@H](C1)OCC(=O)OCc1nc(cs1)[*:1]
O=C(COn1nnc2ccc([N+](=O)[O-])cc21)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(COn1nnc2ccc(cc21)[N+](=O)[O-])N[*:1]
O=C(COn1nnc2ccc([N+](=O)[O-])cc21)Nc1cc(Cl)cc(Cl)c1 O=[N+]([O-])[*:1] O=C(COn1nnc2ccc(cc21)[*:1])Nc1cc(Cl)cc(Cl)c1
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@H]1[C@@H](CCN1C(=O)c1ccc(Cl)cc1)[*:1]
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]1[C@H](CCN1C(=O)[*:1])c1ccccc1
FC(F)(F)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 FC(F)(F)[*:1] C1CCC2(CC1)C[C@H](CCO2)[NH2+]CC[*:1]
FC(F)(F)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 FC(F)(F)CC[*:1] C1CCC2(CC1)C[C@H](CCO2)[NH2+][*:1]
FC(F)(F)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 FC(F)(F)C[*:1] C1CCC2(CC1)C[C@H](CCO2)[NH2+]C[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)C1 CC(C)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)C1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)N[C@H](C(C)C)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)C1 CC(C)CCO[*:1] CC(C)[C@H](NC(=O)N1CC[C@H](C1)[*:1])c1nc2ccccc2[nH]1
CC(C)CCO[C@@H]1CCN(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)C1 CC(C)C[*:1] CC(C)[C@H](NC(=O)N1CC[C@H](C1)OC[*:1])c1nc2ccccc2[nH]1
CC(C)CCO[C@@H]1CCN(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)C1 CC(C)CC[*:1] CC(C)[C@H](NC(=O)N1CC[C@H](C1)O[*:1])c1nc2ccccc2[nH]1
CC(C)CCO[C@@H]1CCN(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)C1 CC(C)[*:1] CC(C)[C@H](NC(=O)N1CC[C@H](C1)OCC[*:1])c1nc2ccccc2[nH]1
COC(=O)Cc1nc(CSC2CCCC2)no1 COC(=O)[*:1] C1CCC(C1)SCc1noc(C[*:1])n1
COC(=O)Cc1nc(CSC2CCCC2)no1 C1CCC(C1)[*:1] COC(=O)Cc1nc(CS[*:1])no1
COC(=O)Cc1nc(CSC2CCCC2)no1 COC(=O)C[*:1] C1CCC(C1)SCc1noc(n1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N[C@H](C)c2cn(C)nc2C)c1 Cc1nn(C)cc1[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N[C@H](C)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N[C@H](C)c2cn(C)nc2C)c1 CC(=O)N(C)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
O=C(Nc1cccc(N2CCCN(Cc3ccccc3Cl)C2=O)c1)c1cccs1 c1csc(c1)[*:1] O=C1N(CCCN1c1cccc(c1)NC(=O)[*:1])Cc1ccccc1Cl
O=C(Nc1cccc(N2CCCN(Cc3ccccc3Cl)C2=O)c1)c1cccs1 Clc1ccccc1[*:1] O=C(Nc1cccc(c1)N1CCCN(C[*:1])C1=O)c1cccs1
O=C(Nc1cccc(N2CCCN(Cc3ccccc3Cl)C2=O)c1)c1cccs1 O=C(N[*:1])c1cccs1 O=C1N(CCCN1c1cccc(c1)[*:1])Cc1ccccc1Cl
O=C(Nc1cccc(N2CCCN(Cc3ccccc3Cl)C2=O)c1)c1cccs1 Clc1ccccc1C[*:1] O=C(Nc1cccc(c1)N1CCCN(C1=O)[*:1])c1cccs1
Cc1cccc(C)c1OC1CCN(c2ccc(C(N)=O)nn2)CC1 Cc1cccc(C)c1[*:1] NC(=O)c1ccc(nn1)N1CCC(CC1)O[*:1]
Cc1cccc(C)c1OC1CCN(c2ccc(C(N)=O)nn2)CC1 NC(=O)[*:1] Cc1cccc(C)c1OC1CCN(CC1)c1ccc(nn1)[*:1]
COC(=O)[C@H](C)[C@H](C)Sc1ccc(Br)cc1 COC(=O)[*:1] C[C@H](Sc1ccc(Br)cc1)[C@@H](C)[*:1]
C=CCS(=O)(=O)/N=c1/[nH]c2c(s1)C[NH2+]CC2 C=CC[*:1] O=S(=O)(/N=c1/[nH]c2CC[NH2+]Cc2s1)[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)NCC(=O)NC1CC1 C1CC1[*:1] C[C@H](Oc1ccc(Br)cc1)C(=O)NCC(=O)N[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)NCC(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@H](Oc1ccc(Br)cc1)C(=O)NC[*:1]
CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] CS(=O)(=O)c1cnc(nc1C1CCN(CC1)C(=O)[*:1])N1CCCCC1
CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2ccncc2)CC1 C1CCN(CC1)[*:1] CS(=O)(=O)c1cnc(nc1C1CCN(CC1)C(=O)c1ccncc1)[*:1]
CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2ccncc2)CC1 CS(=O)(=O)[*:1] O=C(c1ccncc1)N1CCC(CC1)c1nc(ncc1[*:1])N1CCCCC1
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)c1C CC(C)(C)C[*:1] Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[*:1])c1C
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)c1C Cc1cccc(c1C)[*:1] CC(C)(C)CC(=O)N(CC(=O)N[*:1])C[C@@H]1CCCO1
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)c1C CC(C)(C)[*:1] Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)C[*:1])c1C
CCn1nc(C)cc1-c1nn2c(-c3ccccc3)nnc2s1 c1ccc(cc1)[*:1] CCn1nc(C)cc1-c1nn2c(nnc2s1)[*:1]
CC1=C(C)C[C@@H](C(=O)[O-])[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 FC(F)(F)[*:1] CC1C[C@H](C(=O)N2CCN(CC2)c2cccc(c2)[*:1])[C@@H](CC=1C)C(=O)[O-]
CC1=C(C)C[C@@H](C(=O)[O-])[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 O=C([O-])[*:1] CC1C[C@H](C(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)[C@H](CC=1C)[*:1]
Cc1cc(NC(=O)c2cccc(CC#N)c2)c(C(N)=O)cc1F N#CC[*:1] Cc1cc(NC(=O)c2cccc(c2)[*:1])c(cc1F)C(N)=O
Cc1cc(NC(=O)c2cccc(CC#N)c2)c(C(N)=O)cc1F NC(=O)[*:1] Cc1cc(NC(=O)c2cccc(c2)CC#N)c(cc1F)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3N3CCCCC3)C2)cc1 C1CCN(CC1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N(C)Cc1ccccc1[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3N3CCCCC3)C2)cc1 COc1ccc(cc1)[*:1] CN(Cc1ccccc1N1CCCCC1)C(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)[C@H](C)[C@@H](C)O FC(F)(F)O[*:1] C[C@@H](c1ccc(cc1)[*:1])S(=O)(=O)[C@H](C)[C@@H](C)O
C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)[C@H](C)[C@@H](C)O FC(F)(F)[*:1] C[C@@H](c1ccc(cc1)O[*:1])S(=O)(=O)[C@H](C)[C@@H](C)O
C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)[C@H](C)[C@@H](C)O C[C@@H](O)[*:1] C[C@@H](c1ccc(cc1)OC(F)(F)F)S(=O)(=O)[C@H](C)[*:1]
CC1(C)CCCC/C1=C\C(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] CC1(C)CCCC/C1=C\C(=O)NCC(C)(C)[*:1]
O=C(CCC1CCCC1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 C1CCC(C1)C[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1sc2ccccc2c1Cl
O=C(CCC1CCCC1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 C1CCC(C1)CC[*:1] O=C(c1sc2ccccc2c1Cl)N1CCN(CC1)C(=O)[*:1]
O=C(CCC1CCCC1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 C1CCC(C1)[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)c1sc2ccccc2c1Cl
CCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(n1)-c1ccc(F)cc1
CCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)ccc1OC CCOc1cc(ccc1OC)[*:1] Cc1nn(-c2nncc(n2)-c2ccc(F)cc2)c2NC(=O)C[C@H](c12)[*:1]
CCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(F)cc3)n2)ccc1OC Fc1ccc(cc1)[*:1] CCOc1cc(ccc1OC)[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(n1)[*:1]
O=C(NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)O[*:1]
CSc1ccc(CN(C)C(=O)C(=O)Nc2ccccc2F)cc1 Fc1ccccc1[*:1] CSc1ccc(cc1)CN(C)C(=O)C(=O)N[*:1]
Cn1cc(S(=O)(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c(=O)n(C)c1=O c1ccc2c(c[nH]c2c1)[*:1] Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)NC[C@@H](c1ccccc1)[*:1]
Cn1cc(S(=O)(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c(=O)n(C)c1=O c1ccc(cc1)[*:1] Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)NC[C@@H](c1c[nH]c2ccccc12)[*:1]
Cn1cc(S(=O)(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c(=O)n(C)c1=O Cn1cc(c(=O)n(C)c1=O)[*:1] O=S(=O)(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1ccc2c(c1)N(C[*:1])C(=O)c1ccccc1S2(=O)=O
C[C@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)C1 c1ccc(cc1)C[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1ccc2c(c1)N(C(=O)c1ccccc1S2(=O)=O)[*:1]
O=C(Nc1ccccc1-n1ccnc1)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1-n1ccnc1)c1ccc(o1)[*:1]
O=C(Nc1ccccc1-n1ccnc1)c1ccc([N+](=O)[O-])o1 c1cn(cn1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(o1)[N+](=O)[O-]
CN(C(=O)C1(c2ccc(Cl)cc2)CC1)C1CCS(=O)(=O)CC1 Clc1ccc(cc1)[*:1] CN(C(=O)C1(CC1)[*:1])C1CCS(=O)(=O)CC1
CC(C)NC(=O)Cc1ccc(NC(=O)CCc2cn3cccnc3n2)cc1 c1cnc2nc(cn2c1)[*:1] CC(C)NC(=O)Cc1ccc(cc1)NC(=O)CC[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)CCc2cn3cccnc3n2)cc1 CC(C)NC(=O)[*:1] O=C(CCc1cn2cccnc2n1)Nc1ccc(cc1)C[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)CCc2cn3cccnc3n2)cc1 CC(C)[*:1] O=C(CCc1cn2cccnc2n1)Nc1ccc(cc1)CC(=O)N[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)CCc2cn3cccnc3n2)cc1 CC(C)NC(=O)C[*:1] O=C(CCc1cn2cccnc2n1)Nc1ccc(cc1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(cc1)Oc1ccccc1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccco1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(cc1)O[*:1])c1ccco1
C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccco1 c1ccc(cc1)O[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(cc1)[*:1])c1ccco1
O=C1S/C(=C\Nc2cccc3ccccc23)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1S/C(=C\Nc2cccc3ccccc23)C(=O)N1[*:1]
O=C1S/C(=C\Nc2cccc3ccccc23)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1S/C(=C\Nc2cccc3ccccc23)C(=O)N1C[*:1]
FC(F)(F)c1cccc(CN/C(=N\c2ccccc2)NC2CC2)c1 C1CC1[*:1] FC(F)(F)c1cccc(c1)CN/C(=N\c1ccccc1)N[*:1]
FC(F)(F)c1cccc(CN/C(=N\c2ccccc2)NC2CC2)c1 c1ccc(cc1)[*:1] FC(F)(F)c1cccc(c1)CNC(=N[*:1])NC1CC1
FC(F)(F)c1cccc(CN/C(=N\c2ccccc2)NC2CC2)c1 FC(F)(F)[*:1] c1ccc(cc1)/N=C(\NCc1cccc(c1)[*:1])NC1CC1
CCCC1(CCC)C[NH+]([C@@H]2CNC[C@@H]2OC)C1 CCC[*:1] CCCC1(C[NH+](C1)[C@@H]1CNC[C@@H]1OC)[*:1]
NC(=O)[C@H](NC(=O)NCc1cc2ccccc2o1)c1ccccc1 NC(=O)[*:1] O=C(NCc1cc2ccccc2o1)N[C@H](c1ccccc1)[*:1]
NC(=O)[C@H](NC(=O)NCc1cc2ccccc2o1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](NC(=O)NCc1cc2ccccc2o1)[*:1]
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cs1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(=O)N(c1nc(/C=C/C(=O)c2ccc(cc2)N2CCCC2=O)cs1)[*:1]
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cs1)c1ccc(F)cc1F O=C1CCCN1[*:1] CC(=O)N(c1nc(/C=C/C(=O)c2ccc(cc2)[*:1])cs1)c1ccc(F)cc1F
CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)[O-])s3)c2C)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)-n1nnc(-c2nc(C)c(s2)[*:1])c1C
CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)[O-])s3)c2C)cc1 CCO[*:1] Cc1nc(sc1C(=O)[O-])-c1nnn(-c2ccc(cc2)[*:1])c1C
NC(=O)CCN(Cc1ccccc1)C(=O)Cc1cccc2ccccc12 c1ccc(cc1)[*:1] NC(=O)CCN(C[*:1])C(=O)Cc1cccc2ccccc12
NC(=O)CCN(Cc1ccccc1)C(=O)Cc1cccc2ccccc12 NC(=O)[*:1] O=C(Cc1cccc2ccccc12)N(CC[*:1])Cc1ccccc1
NC(=O)CCN(Cc1ccccc1)C(=O)Cc1cccc2ccccc12 NC(=O)CC[*:1] O=C(Cc1cccc2ccccc12)N(Cc1ccccc1)[*:1]
NC(=O)CCN(Cc1ccccc1)C(=O)Cc1cccc2ccccc12 NC(=O)C[*:1] O=C(Cc1cccc2ccccc12)N(Cc1ccccc1)C[*:1]
NC(=O)CCN(Cc1ccccc1)C(=O)Cc1cccc2ccccc12 c1ccc(cc1)C[*:1] NC(=O)CCN(C(=O)Cc1cccc2ccccc12)[*:1]
CC[NH+](CC)CCn1ccc([C@H](O)C2CC2)c1 O[C@H](C1CC1)[*:1] CC[NH+](CC)CCn1ccc(c1)[*:1]
CC[NH+](CC)CCn1ccc([C@H](O)C2CC2)c1 C1CC1[*:1] CC[NH+](CC)CCn1ccc(c1)[C@H](O)[*:1]
CN(C)c1ncccc1N(C)C(=O)c1cc(F)c(F)cc1Cl CN(C)[*:1] CN(C(=O)c1cc(F)c(F)cc1Cl)c1cccnc1[*:1]
COc1ccccc1CNC(=O)c1cc(NC(=O)C(C)C)n(C)n1 COc1ccccc1[*:1] CC(C)C(=O)Nc1cc(nn1C)C(=O)NC[*:1]
COc1ccccc1CNC(=O)c1cc(NC(=O)C(C)C)n(C)n1 CC(C)[*:1] COc1ccccc1CNC(=O)c1cc(NC(=O)[*:1])n(C)n1
COc1ccccc1CNC(=O)c1cc(NC(=O)C(C)C)n(C)n1 CC(C)C(=O)N[*:1] COc1ccccc1CNC(=O)c1cc(n(C)n1)[*:1]
O=C(NO[C@H]1CCCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1 C1CC[C@@H](OC1)[*:1] O=C(NO[*:1])[C@@H]1CCCN1C(=O)C1CCCCC1
O=C(NO[C@H]1CCCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NO[C@H]1CCCCO1)[C@@H]1CCCN1C(=O)[*:1]
Cc1n[nH]c(SCC(=O)N2CCCC(C)(C)CC2)n1 Cc1n[nH]c(n1)[*:1] CC1(C)CCCN(CC1)C(=O)CS[*:1]
COC(=O)c1cc(Br)cnc1N COC(=O)[*:1] Nc1ncc(Br)cc1[*:1]
CCOC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1 CCOC(=O)CS[*:1] Cc1ccc(cc1)S(=O)(=O)n1c(nc2ccccc21)[*:1]
CCOC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1 CCOC(=O)C[*:1] Cc1ccc(cc1)S(=O)(=O)n1c(nc2ccccc21)S[*:1]
CCOC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCOC(=O)CSc1nc2ccccc2n1S(=O)(=O)[*:1]
CCOC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1 CCOC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)n1c(nc2ccccc21)SC[*:1]
CCc1nn(C)c2c1nc(CCl)n2Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1nn(C)c2c1nc(CCl)n2C[*:1]
COC[C@H](C)CC(=O)NCc1ccc(C(N)=S)cc1 COC[C@H](C)[*:1] NC(=S)c1ccc(cc1)CNC(=O)C[*:1]
COC[C@H](C)CC(=O)NCc1ccc(C(N)=S)cc1 NC(=S)[*:1] COC[C@H](C)CC(=O)NCc1ccc(cc1)[*:1]
COC[C@H](C)CC(=O)NCc1ccc(C(N)=S)cc1 COC[C@H](C)C[*:1] NC(=S)c1ccc(cc1)CNC(=O)[*:1]
COC[C@H](C)CC(=O)NCc1ccc(C(N)=S)cc1 COC[*:1] C[C@H](CC(=O)NCc1ccc(cc1)C(N)=S)[*:1]
CSc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(C)cc3)nc12 C1CN(CCO1)CC[*:1] CSc1cccc2sc(nc12)N(C(=O)c1ccc(C)cc1)[*:1]
CSc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(C)cc3)nc12 C1CN(CCO1)[*:1] CSc1cccc2sc(nc12)N(CC[*:1])C(=O)c1ccc(C)cc1
CSc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(C)cc3)nc12 C1CN(CCO1)C[*:1] CSc1cccc2sc(nc12)N(C[*:1])C(=O)c1ccc(C)cc1
CSc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(C)cc3)nc12 Cc1ccc(cc1)[*:1] CSc1cccc2sc(nc12)N(CCN1CCOCC1)C(=O)[*:1]
CC(C)(C)c1ncc(NC(=O)c2ccn(-c3ccccc3)n2)cn1 CC(C)(C)[*:1] O=C(Nc1cnc(nc1)[*:1])c1ccn(n1)-c1ccccc1
CC(C)(C)c1ncc(NC(=O)c2ccn(-c3ccccc3)n2)cn1 c1ccc(cc1)[*:1] CC(C)(C)c1ncc(cn1)NC(=O)c1ccn(n1)[*:1]
CC(C)[C@](C)(O)CNC(=O)[C@H]1SCCc2sccc21 CC(C)[*:1] C[C@](O)(CNC(=O)[C@H]1SCCc2sccc21)[*:1]
CC(C)[C@](C)(O)CNC(=O)[C@H]1SCCc2sccc21 CC(C)[C@](C)(O)[*:1] O=C(NC[*:1])[C@H]1SCCc2sccc21
Cn1c(COC(=O)c2ccccc2OC(F)F)nnc1-c1ccccc1 FC(F)[*:1] Cn1c(COC(=O)c2ccccc2O[*:1])nnc1-c1ccccc1
Cn1c(COC(=O)c2ccccc2OC(F)F)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(COC(=O)c2ccccc2OC(F)F)nnc1[*:1]
Cn1c(COC(=O)c2ccccc2OC(F)F)nnc1-c1ccccc1 FC(F)O[*:1] Cn1c(COC(=O)c2ccccc2[*:1])nnc1-c1ccccc1
C[C@H](Oc1cccc(C#N)c1)C(=O)OCc1nccn1C Cn1ccnc1C[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)O[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)OCc1nccn1C Cn1ccnc1[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)OC[*:1]
COCCOc1ccc([C@H]([NH3+])C(=O)[O-])cc1OC COC[*:1] COc1cc(ccc1OC[*:1])[C@H]([NH3+])C(=O)[O-]
COCCOc1ccc([C@H]([NH3+])C(=O)[O-])cc1OC COCC[*:1] COc1cc(ccc1O[*:1])[C@H]([NH3+])C(=O)[O-]
COCCOc1ccc([C@H]([NH3+])C(=O)[O-])cc1OC COCCO[*:1] COc1cc(ccc1[*:1])[C@H]([NH3+])C(=O)[O-]
CCOc1ncccc1CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCOc1ncccc1CNC(=O)c1ccc(Cl)c(c1)[*:1]
CCOc1ncccc1CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 CCO[*:1] CS(=O)(=O)c1cc(ccc1Cl)C(=O)NCc1cccnc1[*:1]
C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)c1ccc(F)cn1 Clc1ccc(cc1)[*:1] C[C@H]([NH2+][C@H]([C@@H]1C[C@H]1C)[*:1])c1ccc(F)cn1
C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)[*:1]
COc1cccc(N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)c1 COc1cccc(c1)[*:1] N#CCOc1cccc(c1)CC(=O)N1CCN(CC1)[*:1]
COc1cccc(N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)c1 N#CCO[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)Cc1cccc(c1)[*:1]
COc1cccc(N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)c1 N#CC[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)Cc1cccc(c1)O[*:1]
CCN(Cc1ccc(Cl)s1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 Clc1ccc(C[*:1])s1 CCN([C@@H](C)c1nc2ccccc2c(=O)[nH]1)[*:1]
CCN(Cc1ccc(Cl)s1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 Clc1ccc(s1)[*:1] CCN(C[*:1])[C@@H](C)c1nc2ccccc2c(=O)[nH]1
Cc1cc(CC(=O)Nc2ccc3[nH]ccc3c2)no1 Cc1cc(no1)[*:1] O=C(C[*:1])Nc1ccc2[nH]ccc2c1
C/C(=N\Nc1nnc(SCC(=O)Nc2ccccc2)n1N)c1ccc(F)cc1 O=C(Nc1ccccc1)[*:1] C/C(=N\Nc1nnc(SC[*:1])n1N)c1ccc(F)cc1
C/C(=N\Nc1nnc(SCC(=O)Nc2ccccc2)n1N)c1ccc(F)cc1 c1ccc(cc1)[*:1] C/C(=N\Nc1nnc(SCC(=O)N[*:1])n1N)c1ccc(F)cc1
C/C(=N\Nc1nnc(SCC(=O)Nc2ccccc2)n1N)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=NNc1nnc(SCC(=O)Nc2ccccc2)n1N)[*:1]
CCCc1cc(COC)c(C#N)c(=O)[nH]1 CCC[*:1] COCc1cc([nH]c(=O)c1C#N)[*:1]
CCCc1cc(COC)c(C#N)c(=O)[nH]1 COC[*:1] CCCc1cc(c(C#N)c(=O)[nH]1)[*:1]
O=C(NCc1cccs1)N[C@H](c1ccc(F)cc1)C1CCC1 C1CC(C1)[*:1] O=C(NCc1cccs1)N[C@H](c1ccc(F)cc1)[*:1]
O=C(NCc1cccs1)N[C@H](c1ccc(F)cc1)C1CCC1 Fc1ccc(cc1)[*:1] O=C(NCc1cccs1)N[C@H](C1CCC1)[*:1]
O=C(NCc1cccs1)N[C@H](c1ccc(F)cc1)C1CCC1 c1csc(c1)[*:1] O=C(NC[*:1])N[C@H](c1ccc(F)cc1)C1CCC1
O=C(NCc1cccs1)N[C@H](c1ccc(F)cc1)C1CCC1 c1csc(c1)C[*:1] O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N[*:1]
CCc1ccc(C(=O)CSc2nnc(Cn3cncn3)o2)cc1 c1ncn(C[*:1])n1 CCc1ccc(cc1)C(=O)CSc1nnc(o1)[*:1]
CCc1ccc(C(=O)CSc2nnc(Cn3cncn3)o2)cc1 c1ncn(n1)[*:1] CCc1ccc(cc1)C(=O)CSc1nnc(C[*:1])o1
COc1ccccc1N(C)C(=O)[C@@H](C)NC(=O)OC(C)(C)C CC(C)(C)[*:1] COc1ccccc1N(C)C(=O)[C@@H](C)NC(=O)O[*:1]
COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(N3CCOCC3)nc2c1 c1ccc(cc1)[*:1] COC(=O)c1ccc2c(=O)n(c(nc2c1)N1CCOCC1)[*:1]
COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(N3CCOCC3)nc2c1 C1CN(CCO1)[*:1] COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(nc2c1)[*:1]
COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(N3CCOCC3)nc2c1 COC(=O)[*:1] O=c1c2ccc(cc2nc(N2CCOCC2)n1-c1ccccc1)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C CS(=O)(=O)[*:1] Cc1ccc(cc1C)[*:1]
Cc1nc([C@@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2F)no1 Cn1nc(ccc1=O)[*:1] Cc1nc(no1)[C@@H](NC(=O)[*:1])c1ccccc1F
Cc1nc([C@@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2F)no1 Cc1nc(no1)[*:1] Cn1nc(ccc1=O)C(=O)N[C@@H](c1ccccc1F)[*:1]
Cc1nc([C@@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2F)no1 Fc1ccccc1[*:1] Cc1nc(no1)[C@@H](NC(=O)c1ccc(=O)n(C)n1)[*:1]
CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])N2C1=O O=C(OCc1ccccc1)[*:1] CC[C@@H]1SC2=NC(C)=C([C@H](c3ccccc3[N+](=O)[O-])N2C1=O)[*:1]
CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])N2C1=O c1ccc(cc1)C[*:1] CC[C@@H]1SC2=NC(C)=C(C(=O)O[*:1])[C@H](c3ccccc3[N+](=O)[O-])N2C1=O
CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])N2C1=O O=[N+]([O-])[*:1] CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccccc3[*:1])N2C1=O
CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])N2C1=O c1ccc(cc1)[*:1] CC[C@@H]1SC2=NC(C)=C(C(=O)OC[*:1])[C@H](c3ccccc3[N+](=O)[O-])N2C1=O
CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])N2C1=O O=[N+]([O-])c1ccccc1[*:1] CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](N2C1=O)[*:1]
COc1ccc(CNC(=O)COc2c(C)cc(C=O)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C=O)cc(C)c1OCC(=O)NC[*:1]
NC(=O)C1CC[NH+](CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 NC(=O)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1ncc(Cc2ccccc2Cl)s1
NC(=O)C1CC[NH+](CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 Clc1ccccc1C[*:1] NC(=O)C1CC[NH+](CC1)CC(=O)Nc1ncc(s1)[*:1]
NC(=O)C1CC[NH+](CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 Clc1ccccc1[*:1] NC(=O)C1CC[NH+](CC1)CC(=O)Nc1ncc(C[*:1])s1
C[C@@H]1CCCCN1C(=O)CSCCN1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]1CCCCN1C(=O)CSCC[*:1]
CS(=O)(=O)CCC(=O)NC1(c2ccc(F)cc2F)CCOCC1 CS(=O)(=O)CC[*:1] O=C(NC1(CCOCC1)c1ccc(F)cc1F)[*:1]
CS(=O)(=O)CCC(=O)NC1(c2ccc(F)cc2F)CCOCC1 CS(=O)(=O)C[*:1] O=C(C[*:1])NC1(CCOCC1)c1ccc(F)cc1F
CS(=O)(=O)CCC(=O)NC1(c2ccc(F)cc2F)CCOCC1 CS(=O)(=O)[*:1] O=C(CC[*:1])NC1(CCOCC1)c1ccc(F)cc1F
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)c2)cc1 Cc1ccc(cc1)NS(=O)(=O)[*:1] Cn1c(CC(=O)NNC(=O)c2cccc(c2)[*:1])nc2ccccc21
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)c2)cc1 Cc1ccc(cc1)[*:1] Cn1c(CC(=O)NNC(=O)c2cccc(c2)S(=O)(=O)N[*:1])nc2ccccc21
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)c2)cc1 Cn1c(nc2ccccc21)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)NNC(=O)C[*:1]
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)c2)cc1 Cn1c(C[*:1])nc2ccccc21 Cc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)NNC(=O)[*:1]
Cc1n[nH]c2ncc(NC(=O)N(C)Cc3cccc(C(F)(F)F)c3)cc12 FC(F)(F)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N(C)Cc1cccc(c1)[*:1]
O=C(NC(=S)NCc1cccnc1)c1cccs1 c1csc(c1)[*:1] O=C(NC(=S)NCc1cccnc1)[*:1]
O=C(NC(=S)NCc1cccnc1)c1cccs1 c1cncc(c1)[*:1] O=C(NC(=S)NC[*:1])c1cccs1
COc1ccc(CCNc2cc(-c3ccccc3)ncn2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CCNc1cc(ncn1)[*:1]
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC1 CC[C@H](C)[*:1] O=C(N[C@H](C(=O)N1CCC1)[*:1])OCc1ccccc1
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC1 O=C(N1CCC1)[*:1] CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)[*:1]
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC1 c1ccc(cc1)C[*:1] CC[C@H](C)[C@H](NC(=O)O[*:1])C(=O)N1CCC1
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)OC[*:1])C(=O)N1CCC1
Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1cccc(C(=O)[O-])c1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=N/Nc1cccc(c1)C(=O)[O-])[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1cccc(c1)[*:1]
CCc1ccc(C(C)(C)C(=O)NC[C@@](C)(O)c2ccc(C)o2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)C(C)(C)[*:1]
CCc1ccc(C(C)(C)C(=O)NC[C@@](C)(O)c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] CCc1ccc(cc1)C(C)(C)C(=O)NC[C@@](C)(O)[*:1]
Cc1c(F)cccc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C Cc1c(F)cccc1[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1ccco1
Cc1c(F)cccc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C c1coc(c1)[*:1] Cc1c(F)cccc1NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
O=C(Oc1ccccc1)N1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] O=C(Oc1ccccc1)N1CCN(CC1)C(=O)c1c[nH]cc1[*:1]
O=C(Oc1ccccc1)N1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 c1ccc(cc1)[*:1] O=C(O[*:1])N1CCN(CC1)C(=O)c1c[nH]cc1-c1ccc(Cl)s1
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCC3=c4ccccc4=[NH+]C3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N1CCCN(CC1)S(=O)(=O)[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 CC(C)(C)NC(=O)CS[*:1] O=c1c2ccccc2nc(n1Cc1cccnc1)[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 CC(C)(C)[*:1] O=C(CSc1nc2ccccc2c(=O)n1Cc1cccnc1)N[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 c1cncc(c1)C[*:1] CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 c1cncc(c1)[*:1] CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1C[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 CC(C)(C)NC(=O)[*:1] O=c1c2ccccc2nc(SC[*:1])n1Cc1cccnc1
CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 CC(C)(C)NC(=O)C[*:1] O=c1c2ccccc2nc(S[*:1])n1Cc1cccnc1
N#Cc1cc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)c2ccccc2n1 FC(F)(F)C[*:1] N#Cc1cc(c2ccccc2n1)N1CCC[C@@H](C1)C(=O)N[*:1]
N#Cc1cc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)c2ccccc2n1 O=C(NCC(F)(F)F)[*:1] N#Cc1cc(c2ccccc2n1)N1CCC[C@H](C1)[*:1]
N#Cc1cc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)c2ccccc2n1 FC(F)(F)[*:1] N#Cc1cc(c2ccccc2n1)N1CCC[C@@H](C1)C(=O)NC[*:1]
O[C@H](CN1CCN(CCOc2cccc(F)c2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](CN1CCN(CCOc2cccc(F)c2)CC1)[*:1]
O[C@H](CN1CCN(CCOc2cccc(F)c2)CC1)c1ccccc1 Fc1cccc(c1)O[*:1] O[C@H](CN1CCN(CC1)CC[*:1])c1ccccc1
O[C@H](CN1CCN(CCOc2cccc(F)c2)CC1)c1ccccc1 Fc1cccc(c1)[*:1] O[C@H](CN1CCN(CCO[*:1])CC1)c1ccccc1
O[C@H](CN1CCN(CCOc2cccc(F)c2)CC1)c1ccccc1 O[C@H](c1ccccc1)[*:1] Fc1cccc(c1)OCCN1CCN(CC1)C[*:1]
CC[C@H](C)C(=O)OCCCn1c(=O)[nH]c2ccccc2c1=O CC[C@H](C)[*:1] O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)[*:1]
CC[C@H](C)C(=O)OCCCn1c(=O)[nH]c2ccccc2c1=O CC[C@H](C)C(=O)O[*:1] O=c1[nH]c2ccccc2c(=O)n1CCC[*:1]
C[C@H]1CC(=O)N(Cc2ccc(C(=O)OC(C)(C)C)cc2)C1=O CC(C)(C)OC(=O)[*:1] C[C@H]1CC(=O)N(Cc2ccc(cc2)[*:1])C1=O
C[C@H]1CC(=O)N(Cc2ccc(C(=O)OC(C)(C)C)cc2)C1=O CC(C)(C)[*:1] C[C@H]1CC(=O)N(Cc2ccc(cc2)C(=O)O[*:1])C1=O
CNc1cc[nH+]cc1S(=O)(=O)NCc1sccc1C Cc1ccsc1[*:1] CNc1cc[nH+]cc1S(=O)(=O)NC[*:1]
COc1ccc2c(c1)CCCN2C(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C CC(C)[*:1] COc1ccc2c(c1)CCCN2C(=O)[C@@H](NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])[*:1]
COc1ccc2c(c1)CCCN2C(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C O=[N+]([O-])c1ccc(c(Cl)c1)[*:1] COc1ccc2c(c1)CCCN2C(=O)[C@@H](NC(=O)[*:1])C(C)C
COc1ccc2c(c1)CCCN2C(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C O=[N+]([O-])[*:1] COc1ccc2c(c1)CCCN2C(=O)[C@@H](NC(=O)c1ccc(cc1Cl)[*:1])C(C)C
COc1cccc(C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)c1OC c1ccc(cc1)[*:1] COc1cccc(C(=O)[C@@H](C#N)c2nnc(n2C)[*:1])c1OC
CCOC(=O)N1CCN(C(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] CCOC(=O)N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(cc1)[*:1]
NC(=O)CC1CCN(C(=O)NOCc2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)CC1CCN(CC1)C(=O)NOC[*:1]
NC(=O)CC1CCN(C(=O)NOCc2ccccc2)CC1 c1ccc(cc1)C[*:1] NC(=O)CC1CCN(CC1)C(=O)NO[*:1]
NC(=O)CC1CCN(C(=O)NOCc2ccccc2)CC1 NC(=O)[*:1] O=C(NOCc1ccccc1)N1CCC(CC1)C[*:1]
NC(=O)CC1CCN(C(=O)NOCc2ccccc2)CC1 NC(=O)C[*:1] O=C(NOCc1ccccc1)N1CCC(CC1)[*:1]
COc1cccc(C(=O)NCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)NCC(=O)N/N=C/c1c(C)nn(c1Cl)[*:1]
COc1cccc(C(=O)NCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c1 COc1cccc(c1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CNC(=O)[*:1]
CC(C)Cn1c(C[NH+](C)Cc2sc3ccccc3c2Cl)cnc1S(C)(=O)=O CC(C)[*:1] C[NH+](Cc1sc2ccccc2c1Cl)Cc1cnc(n1C[*:1])S(C)(=O)=O
CC(C)Cn1c(C[NH+](C)Cc2sc3ccccc3c2Cl)cnc1S(C)(=O)=O CC(C)C[*:1] C[NH+](Cc1sc2ccccc2c1Cl)Cc1cnc(n1[*:1])S(C)(=O)=O
CC(C)Cn1c(C[NH+](C)Cc2sc3ccccc3c2Cl)cnc1S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)Cn1c(cnc1[*:1])C[NH+](C)Cc1sc2ccccc2c1Cl
COC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1 COC(=O)[*:1] Clc1ccc(cc1)Oc1ccc(cn1)[*:1]
CC[C@@]1(C(=O)[O-])CCCN(c2ccc3nccnc3n2)C1 O=C([O-])[*:1] CC[C@]1(CCCN(C1)c1ccc2nccnc2n1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)[C@H](C)S(=O)(=O)C(C)C c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)S(=O)(=O)C(C)C)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)[C@H](C)S(=O)(=O)C(C)C CC(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)[C@H](C)S(=O)(=O)C(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)S(=O)(=O)[*:1])-c1ncco1
C[C@H]1CN(C(=O)CCCn2ccnn2)c2ccccc2S1 c1cn(nn1)[*:1] C[C@H]1CN(C(=O)CCC[*:1])c2ccccc2S1
C[C@H]1CN(C(=O)CCCn2ccnn2)c2ccccc2S1 c1cn(CC[*:1])nn1 C[C@H]1CN(C(=O)C[*:1])c2ccccc2S1
C[C@H]1CN(C(=O)CCCn2ccnn2)c2ccccc2S1 c1cn(C[*:1])nn1 C[C@H]1CN(C(=O)CC[*:1])c2ccccc2S1
CN1C(=O)CO[C@@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CN1C(=O)CO[C@@H](C(=O)N2CCN(CC2)c2ccccc2)[C@H]1[*:1]
CN1C(=O)CO[C@@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H]1c1cccc(F)c1 c1ccc(cc1)[*:1] CN1C(=O)CO[C@@H](C(=O)N2CCN(CC2)[*:1])[C@@H]1c1cccc(F)c1
CC(=O)NC1(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CCCCC1 CC(=O)N[*:1] CC(C)(C)c1ccc(cc1)OCCNC(=O)C1(CCCCC1)[*:1]
CC(=O)NC1(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CCCCC1 CC(C)(C)[*:1] CC(=O)NC1(CCCCC1)C(=O)NCCOc1ccc(cc1)[*:1]
COc1ccnc(N2CCC(C(=O)N3CCCC3)CC2)n1 O=C(N1CCCC1)[*:1] COc1ccnc(n1)N1CCC(CC1)[*:1]
CCc1ccc2c(COc3ccc(Cl)cc3C(N)=O)cc(=O)oc2c1 NC(=O)[*:1] CCc1ccc2c(cc(=O)oc2c1)COc1ccc(Cl)cc1[*:1]
CC(C)CS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C CC(C)C[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)CCS(=O)(=O)[*:1]
CC(C)CS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C CC(C)CS(=O)(=O)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)CC[*:1]
CC(C)CS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C CC(C)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)CCS(=O)(=O)C[*:1]
CC[C@@H]1CCCCN1c1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 c1cnc(nc1)[*:1] CC[C@@H]1CCCCN1c1ccc(cn1)C(=O)N1CCCN(CC1)[*:1]
CCc1noc(CC)c1CNC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CCc1noc(CC)c1CNC(=O)c1ccc(cc1)[*:1]
Cc1ccc([C@@H](NC(=O)NCCO)c2ccccc2)cc1 OCC[*:1] Cc1ccc(cc1)[C@@H](NC(=O)N[*:1])c1ccccc1
Cc1ccc([C@@H](NC(=O)NCCO)c2ccccc2)cc1 O=C(NCCO)N[*:1] Cc1ccc(cc1)[C@@H](c1ccccc1)[*:1]
Cc1ccc([C@@H](NC(=O)NCCO)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)NCCO)[*:1]
Cc1ccc([C@@H](NC(=O)NCCO)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCO)N[C@@H](c1ccccc1)[*:1]
NC(=O)CCN(C(=O)C1CCC1)c1ccc(F)cc1 NC(=O)CC[*:1] O=C(C1CCC1)N(c1ccc(F)cc1)[*:1]
NC(=O)CCN(C(=O)C1CCC1)c1ccc(F)cc1 NC(=O)[*:1] O=C(C1CCC1)N(CC[*:1])c1ccc(F)cc1
NC(=O)CCN(C(=O)C1CCC1)c1ccc(F)cc1 C1CC(C1)[*:1] NC(=O)CCN(C(=O)[*:1])c1ccc(F)cc1
NC(=O)CCN(C(=O)C1CCC1)c1ccc(F)cc1 NC(=O)C[*:1] O=C(C1CCC1)N(C[*:1])c1ccc(F)cc1
CCC[C@H]1CC[C@H](C(=O)[O-])[C@H](Sc2ccncc2)C1 O=C([O-])[*:1] CCC[C@H]1CC[C@H]([C@@H](C1)Sc1ccncc1)[*:1]
CCC[C@H]1CC[C@H](C(=O)[O-])[C@H](Sc2ccncc2)C1 CCC[*:1] O=C([O-])[C@H]1CC[C@@H](C[C@H]1Sc1ccncc1)[*:1]
CCC[C@H]1CC[C@H](C(=O)[O-])[C@H](Sc2ccncc2)C1 c1cc(ccn1)[*:1] CCC[C@H]1CC[C@H](C(=O)[O-])[C@@H](C1)S[*:1]
CS(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 CS(=O)(=O)[*:1] O=C(CCc1nc(no1)-c1cccs1)Nc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 c1csc(c1)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)CCc1nc(no1)[*:1]
Cc1ccccc1OCC(=O)NNC(=O)Nc1cccc(Cl)c1 Cc1ccccc1[*:1] O=C(CO[*:1])NNC(=O)Nc1cccc(Cl)c1
Cc1ccccc1OCC(=O)NNC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1ccccc1OCC(=O)NNC(=O)N[*:1]
CC(C)[C@@](C)(O)CNC(=O)CCn1cnc2sccc2c1=O CC(C)[*:1] C[C@@](O)(CNC(=O)CCn1cnc2sccc2c1=O)[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)Oc1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)c2cccc(C#N)c2)C1 N#Cc1cccc(c1)[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)c2cccc(C#N)c2)C1 CCC[C@@H](C)[*:1] CC(C)(C(=O)N1CCC[C@H](C1)C(=O)N[*:1])c1cccc(C#N)c1
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)c2cccc(C#N)c2)C1 CCC[C@@H](C)NC(=O)[*:1] CC(C)(C(=O)N1CCC[C@H](C1)[*:1])c1cccc(C#N)c1
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)c2cccc(C#N)c2)C1 CCC[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)c1cccc(C#N)c1)[*:1]
CN(C1CCCC1)[C@@H](C[NH3+])c1cccnc1 C1CCC(C1)[*:1] CN([C@@H](C[NH3+])c1cccnc1)[*:1]
CN(C)C(=O)C[NH+](C)Cc1c(N)cccc1Br CN(C)C(=O)[*:1] C[NH+](Cc1c(N)cccc1Br)C[*:1]
Cc1noc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCO)cc2)n1 Cc1noc(n1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)S(=O)(=O)NCCO
Cc1noc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCO)cc2)n1 O=S(=O)(NCCO)[*:1] Cc1noc(CN(C)C(=O)c2ccc(cc2)[*:1])n1
Cc1noc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCO)cc2)n1 OCC[*:1] Cc1noc(CN(C)C(=O)c2ccc(cc2)S(=O)(=O)N[*:1])n1
Cc1noc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCO)cc2)n1 Cc1noc(C[*:1])n1 CN(C(=O)c1ccc(cc1)S(=O)(=O)NCCO)[*:1]
CC(C)c1cnc(CNc2ccccc2NC(=O)Cc2cccs2)o1 c1csc(c1)C[*:1] CC(C)c1cnc(CNc2ccccc2NC(=O)[*:1])o1
CC(C)c1cnc(CNc2ccccc2NC(=O)Cc2cccs2)o1 c1csc(c1)[*:1] CC(C)c1cnc(CNc2ccccc2NC(=O)C[*:1])o1
CC(C)c1cnc(CNc2ccccc2NC(=O)Cc2cccs2)o1 CC(C)[*:1] O=C(Cc1cccs1)Nc1ccccc1NCc1ncc(o1)[*:1]
CC(C)c1cnc(CNc2ccccc2NC(=O)Cc2cccs2)o1 CC(C)c1cnc(o1)[*:1] O=C(Cc1cccs1)Nc1ccccc1NC[*:1]
Cc1cccn(Cc2nc(-c3ccc(S(C)(=O)=O)cc3)no2)c1=O Cc1cccn(c1=O)[*:1] CS(=O)(=O)c1ccc(cc1)-c1noc(C[*:1])n1
Cc1cccn(Cc2nc(-c3ccc(S(C)(=O)=O)cc3)no2)c1=O CS(=O)(=O)[*:1] Cc1cccn(Cc2nc(no2)-c2ccc(cc2)[*:1])c1=O
Cc1cccc(NC(=O)CN2C(=O)[C@H](C(=O)N3CCCCCC3)Sc3ccccc32)n1 O=C(N1CCCCCC1)[*:1] Cc1cccc(n1)NC(=O)CN1C(=O)[C@H](Sc2ccccc21)[*:1]
Cc1cccc(NC(=O)CN2C(=O)[C@H](C(=O)N3CCCCCC3)Sc3ccccc32)n1 Cc1cccc(n1)NC(=O)[*:1] O=C([C@@H]1Sc2ccccc2N(C[*:1])C1=O)N1CCCCCC1
Cc1cccc(NC(=O)CN2C(=O)[C@H](C(=O)N3CCCCCC3)Sc3ccccc32)n1 Cc1cccc(n1)[*:1] O=C(CN1C(=O)[C@@H](Sc2ccccc21)C(=O)N1CCCCCC1)N[*:1]
O=C(C[NH+]1CCN(Cc2cccc(F)c2)CC1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[NH+]1CCN(CC1)Cc1cccc(F)c1)N[*:1]
O=C(C[NH+]1CCN(Cc2cccc(F)c2)CC1)NCc1ccccc1 Fc1cccc(c1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])NCc1ccccc1
O=C(C[NH+]1CCN(Cc2cccc(F)c2)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1cccc(F)c1)NC[*:1]
O=C(C[NH+]1CCN(Cc2cccc(F)c2)CC1)NCc1ccccc1 Fc1cccc(c1)C[*:1] O=C(C[NH+]1CCN(CC1)[*:1])NCc1ccccc1
O=C([O-])[C@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC1 O=C([O-])[*:1] O=C(NC1CC1)N1[C@H]2CCCC[C@H]2CC[C@@H]1[*:1]
O=C([O-])[C@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC1 C1CC1[*:1] O=C([O-])[C@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)N[*:1]
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)c(Cl)c1 Fc1ccc(cc1)[*:1] CCN1C(=O)C[C@H](SC1=Nc1ccc(Cl)c(Cl)c1)C(=O)N[*:1]
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CCN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1ccc(F)cc1
O=C(Nc1ccncc1)c1oc2ccccc2c1COc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccncc1)c1oc2ccccc2c1CO[*:1]
O=C(Nc1ccncc1)c1oc2ccccc2c1COc1ccccc1 c1ccc(cc1)O[*:1] O=C(Nc1ccncc1)c1oc2ccccc2c1C[*:1]
O=C(Nc1ccncc1)c1oc2ccccc2c1COc1ccccc1 c1cc(ccn1)[*:1] O=C(N[*:1])c1oc2ccccc2c1COc1ccccc1
O=C(Nc1ccncc1)c1oc2ccccc2c1COc1ccccc1 c1ccc(cc1)OC[*:1] O=C(Nc1ccncc1)c1oc2ccccc2c1[*:1]
CCS[C@@H]1CC[C@H](NC(=O)Nc2ccccc2-n2nc(C)nc2C)C1 CCS[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N[C@H]1CC[C@H](C1)[*:1]
CCS[C@@H]1CC[C@H](NC(=O)Nc2ccccc2-n2nc(C)nc2C)C1 Cc1nc(C)n(n1)[*:1] CCS[C@@H]1CC[C@@H](C1)NC(=O)Nc1ccccc1[*:1]
C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](NC(=O)N1CCO[C@H](C1)c1ccccc1)[*:1]
C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(F)c(F)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCO[C@@H](C1)[*:1])c1ccc(F)c(F)c1
CC(C)c1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)s1 C1CN(CCO1)[*:1] CC(C)c1nnc(NC(=O)c2cc(ccc2[*:1])S(=O)(=O)N(C)C)s1
CC(C)c1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)s1 CC(C)c1nnc(s1)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)C(=O)N[*:1])N1CCOCC1
CC(C)c1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)s1 CN(C)S(=O)(=O)[*:1] CC(C)c1nnc(NC(=O)c2cc(ccc2N2CCOCC2)[*:1])s1
CC(C)c1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)s1 CC(C)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)C(=O)Nc1nnc(s1)[*:1])N1CCOCC1
CCC/C(C)=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S1 CCC[*:1] COc1ccc(cc1)NC(=O)C[C@@H]1S/C(=N\N=C(C)[*:1])NC1=O
CCC/C(C)=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S1 COc1ccc(cc1)[*:1] CCC/C(C)=N/N=C1/NC(=O)[C@H](CC(=O)N[*:1])S1
Cc1cccc(C(=O)N2CCN(c3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CCN(CC1)c1cc(=O)n2nc(sc2n1)[*:1]
Cc1cccc(C(=O)N2CCN(c3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)c1 Cc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1cc(=O)n2nc(sc2n1)-c1ccccc1)[*:1]
Cc1cccc([C@@H](C)C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)c1 O=C1OCCN1[*:1] Cc1cccc(c1)[C@@H](C)C(=O)Nc1ccc(C)c(c1)[*:1]
Cc1cccc([C@@H](C)C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)[C@H](C)[*:1]
COC[C@H]([NH3+])CN(C)C(=O)c1cccc(C(F)(F)F)c1F COC[*:1] CN(C[C@@H]([NH3+])[*:1])C(=O)c1cccc(c1F)C(F)(F)F
COC[C@H]([NH3+])CN(C)C(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] COC[C@H]([NH3+])CN(C)C(=O)c1cccc(c1F)[*:1]
C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN(c2ncccc2C#N)CC1 N#Cc1cccnc1[*:1] C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN(CC1)[*:1]
C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN(c2ncccc2C#N)CC1 Oc1ccc(cc1)C[*:1] C[C@H](C[*:1])[NH2+]C1CCN(CC1)c1ncccc1C#N
C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN(c2ncccc2C#N)CC1 Oc1ccc(cc1)[*:1] C[C@H](CC[*:1])[NH2+]C1CCN(CC1)c1ncccc1C#N
N#Cc1cc(NCc2nc(-c3ccsc3)no2)ccc1F c1cc(cs1)[*:1] N#Cc1cc(ccc1F)NCc1nc(no1)[*:1]
COC(=O)c1ccc(Cl)c(-c2ccc(C(=O)[O-])nc2)c1 COC(=O)[*:1] O=C([O-])c1ccc(cn1)-c1cc(ccc1Cl)[*:1]
COC(=O)c1ccc(Cl)c(-c2ccc(C(=O)[O-])nc2)c1 O=C([O-])[*:1] COC(=O)c1ccc(Cl)c(c1)-c1ccc(nc1)[*:1]
CCN(C(=O)NCc1ccc(C)s1)[C@@H](C)Cc1ccc(OC)cc1 Cc1ccc(s1)[*:1] CCN(C(=O)NC[*:1])[C@@H](C)Cc1ccc(cc1)OC
CCN(C(=O)NCc1ccc(C)s1)[C@@H](C)Cc1ccc(OC)cc1 Cc1ccc(C[*:1])s1 CCN(C(=O)N[*:1])[C@@H](C)Cc1ccc(cc1)OC
CCN(C(=O)NCc1ccc(C)s1)[C@@H](C)Cc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(C(=O)NCc1ccc(C)s1)[C@@H](C)C[*:1]
CC(C)c1nc(NC(=O)c2cn(C)nc2C(C)(C)C)n(C)n1 CC(C)(C)[*:1] CC(C)c1nc(NC(=O)c2cn(C)nc2[*:1])n(C)n1
CC(C)c1nc(NC(=O)c2cn(C)nc2C(C)(C)C)n(C)n1 CC(C)[*:1] Cn1cc(C(=O)Nc2nc(nn2C)[*:1])c(n1)C(C)(C)C
COc1ccc(C)cc1NC(=O)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] COc1ccc(C)cc1NC(=O)C(=O)N[C@H]1C[C@H]1[*:1]
CCN1CCO[C@H](C[NH3+])[C@@H]1c1cccc(C2CC2)c1 C1CC1[*:1] CCN1CCO[C@H](C[NH3+])[C@@H]1c1cccc(c1)[*:1]
CC(C)[NH2+][C@@H](CC(=O)N(C)C)C(N)=O NC(=O)[*:1] CC(C)[NH2+][C@@H](CC(=O)N(C)C)[*:1]
CC(C)[NH2+][C@@H](CC(=O)N(C)C)C(N)=O CC(C)[*:1] CN(C)C(=O)C[C@H]([NH2+][*:1])C(N)=O
Cc1nn(Cc2ccc(Br)cc2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(Cc2ccc(Br)cc2)c(C)c1[*:1]
CC(=O)c1cc(-c2[nH]cnc2-c2ccccc2)cs1 CC(=O)[*:1] c1ccc(cc1)-c1nc[nH]c1-c1csc(c1)[*:1]
CC(=O)c1cc(-c2[nH]cnc2-c2ccccc2)cs1 c1ccc(cc1)[*:1] CC(=O)c1cc(cs1)-c1[nH]cnc1[*:1]
CCOc1ccccc1CCC(=O)/N=c1\[nH]nc2cc(C)ccn12 CCO[*:1] Cc1ccn2/c(=N/C(=O)CCc3ccccc3[*:1])[nH]nc2c1
C[C@H](Nc1nccc(CCC(F)(F)F)n1)C1CC1 C[C@H](N[*:1])C1CC1 FC(F)(F)CCc1ccnc(n1)[*:1]
C[C@H](Nc1nccc(CCC(F)(F)F)n1)C1CC1 FC(F)(F)C[*:1] C[C@H](Nc1nccc(C[*:1])n1)C1CC1
C[C@H](Nc1nccc(CCC(F)(F)F)n1)C1CC1 FC(F)(F)[*:1] C[C@H](Nc1nccc(CC[*:1])n1)C1CC1
C[C@H](Nc1nccc(CCC(F)(F)F)n1)C1CC1 C[C@H](C1CC1)[*:1] FC(F)(F)CCc1ccnc(n1)N[*:1]
C[C@H](Nc1nccc(CCC(F)(F)F)n1)C1CC1 C1CC1[*:1] C[C@H](Nc1nccc(CCC(F)(F)F)n1)[*:1]
C[C@H](Nc1nccc(CCC(F)(F)F)n1)C1CC1 FC(F)(F)CC[*:1] C[C@H](Nc1nccc(n1)[*:1])C1CC1
CCC(O)(CC)CNC(=O)NC1[C@@H](C)CCC[C@@H]1C CCC(O)(CC)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)NC[*:1]
CCc1nc(C(=O)Nc2ccc(N(C)C(=O)OC)cc2)nn1-c1c(Cl)cccc1Cl COC(=O)N(C)[*:1] CCc1nc(nn1-c1c(Cl)cccc1Cl)C(=O)Nc1ccc(cc1)[*:1]
CCc1nc(C(=O)Nc2ccc(N(C)C(=O)OC)cc2)nn1-c1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] CCc1nc(nn1[*:1])C(=O)Nc1ccc(cc1)N(C)C(=O)OC
C[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)[*:1]
CC(=O)Nc1ccc(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 CC(=O)N[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2 Fc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)[*:1])C12CC3CC(CC(C3)C1)C2
O=C(C[C@@H]1C=CCC1)Oc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] O=C(C[C@@H]1C=CCC1)Oc1ccc(cc1)NC(=O)[*:1]
O=C(C[C@@H]1C=CCC1)Oc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C(C[C@@H]1C=CCC1)Oc1ccc(cc1)[*:1]
CC(C)CCN(c1nc(C2CC2)c(C[NH3+])s1)C1CCCC1 CC(C)C[*:1] [NH3+]Cc1sc(nc1C1CC1)N(C[*:1])C1CCCC1
CC(C)CCN(c1nc(C2CC2)c(C[NH3+])s1)C1CCCC1 C1CCC(C1)[*:1] CC(C)CCN(c1nc(c(C[NH3+])s1)C1CC1)[*:1]
CC(C)CCN(c1nc(C2CC2)c(C[NH3+])s1)C1CCCC1 C1CC1[*:1] CC(C)CCN(c1nc(c(C[NH3+])s1)[*:1])C1CCCC1
CC(C)CCN(c1nc(C2CC2)c(C[NH3+])s1)C1CCCC1 CC(C)CC[*:1] [NH3+]Cc1sc(nc1C1CC1)N(C1CCCC1)[*:1]
CC(C)CCN(c1nc(C2CC2)c(C[NH3+])s1)C1CCCC1 CC(C)[*:1] [NH3+]Cc1sc(nc1C1CC1)N(CC[*:1])C1CCCC1
CC(C)(C)C(=O)Nc1ncc(F)c(C=O)c1I CC(C)(C)[*:1] O=Cc1c(F)cnc(NC(=O)[*:1])c1I
COc1ccccc1CN(C)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 COc1ccccc1[*:1] Cc1cc(ccc1[N+](=O)[O-])OCC(=O)N(C)C[*:1]
COc1ccccc1CN(C)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] COc1ccccc1CN(C)C(=O)COc1ccc(c(C)c1)[*:1]
O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1COc2ccccc2C1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])[C@@H]1COc2ccccc2C1
O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1COc2ccccc2C1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1c[nH]c2ccccc12)[*:1])[C@@H]1COc2ccccc2C1
CS[C@H]1CC[C@H](NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1 FC(F)(F)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N[C@@H]1CCN(C1)C[*:1]
CS[C@H]1CC[C@H](NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1 FC(F)(F)C[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N[C@@H]1CCN(C1)[*:1]
Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(S(=O)(=O)C3CC3)CC1)CC2 C1CC1[*:1] Cc1ccc2CC[C@H]([NH2+]C3CCN(CC3)S(=O)(=O)[*:1])c2c1
COC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 COC(=O)N[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
COC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] COC(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
COCc1nc(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)cs1 COC[*:1] C[C@@H](CNC(=O)c1csc(n1)[*:1])Oc1ccc(Cl)cc1
COCc1nc(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)cs1 Clc1ccc(cc1)[*:1] COCc1nc(cs1)C(=O)NC[C@H](C)O[*:1]
O=C(c1n[nH]c(C2CC2)c1Cl)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] O=C(c1n[nH]c(c1Cl)[*:1])N1CC[NH+](CC1)CC1CC1
O=C(c1n[nH]c(C2CC2)c1Cl)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] O=C(c1n[nH]c(c1Cl)C1CC1)N1CC[NH+](CC1)C[*:1]
O=C(c1n[nH]c(C2CC2)c1Cl)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] O=C(c1n[nH]c(c1Cl)C1CC1)N1CC[NH+](CC1)[*:1]
COc1cccc(Nc2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cccc(c1)Nc1ccccc1[*:1]
O=C(CN1C(=O)COc2ccccc21)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] O=C(CN1C(=O)COc2ccccc21)Nc1ccc(cc1)[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)C[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](N1C(=O)[C@H]2CC=CC[C@H]2C1=O)[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
Cc1c(Cl)cccc1NC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O Cc1c(Cl)cccc1[*:1] CC(C)C[C@@H](C(=O)N[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CC[C@@H](C(=O)N1C[C@@H](C)[C@H](C)C1)C(N)=S NC(=S)[*:1] CC[C@@H](C(=O)N1C[C@@H](C)[C@H](C)C1)[*:1]
CN(Cc1cccc(F)c1)C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] CN(Cc1cccc(F)c1)C(=O)CS(=O)(=O)C[*:1]
CN(Cc1cccc(F)c1)C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl Fc1cccc(c1)[*:1] CN(C[*:1])C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl
CN(Cc1cccc(F)c1)C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl Fc1cccc(c1)C[*:1] CN(C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl)[*:1]
Cc1sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C(N)=O)c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C(N)=O)c1[*:1]
Cc1sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C(N)=O)c1-c1ccccc1 NC(=O)[*:1] Cc1sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(c1-c1ccccc1)[*:1]
Cc1sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C(N)=O)c1-c1ccccc1 Clc1cccc(c1)O[*:1] Cc1sc(NC(=O)[C@H](C)[*:1])c(C(N)=O)c1-c1ccccc1
Cc1sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C(N)=O)c1-c1ccccc1 Clc1cccc(c1)[*:1] Cc1sc(NC(=O)[C@H](C)O[*:1])c(C(N)=O)c1-c1ccccc1
COc1ccc(C)cc1NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C COc1ccc(C)cc1[*:1] C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N[*:1]
O=C(Cc1cccc(O)c1)/N=c1\[nH]c2ccccc2n1C1CCCC1 C1CCC(C1)[*:1] O=C(Cc1cccc(O)c1)/N=c1\[nH]c2ccccc2n1[*:1]
O=C(Cc1cccc(O)c1)/N=c1\[nH]c2ccccc2n1C1CCCC1 Oc1cccc(c1)[*:1] O=C(C[*:1])/N=c1\[nH]c2ccccc2n1C1CCCC1
O=C(Cc1cccc(O)c1)/N=c1\[nH]c2ccccc2n1C1CCCC1 Oc1cccc(c1)C[*:1] O=C(/N=c1\[nH]c2ccccc2n1C1CCCC1)[*:1]
Fc1cccc(NC(=S)Nc2ccccc2Oc2ccccc2)c1 c1ccc(cc1)O[*:1] Fc1cccc(c1)NC(=S)Nc1ccccc1[*:1]
Fc1cccc(NC(=S)Nc2ccccc2Oc2ccccc2)c1 Fc1cccc(c1)[*:1] S=C(Nc1ccccc1Oc1ccccc1)N[*:1]
Fc1cccc(NC(=S)Nc2ccccc2Oc2ccccc2)c1 c1ccc(cc1)[*:1] Fc1cccc(c1)NC(=S)Nc1ccccc1O[*:1]
CN1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1CCN(C[C@H]1[*:1])S(=O)(=O)c1ccccc1
CN1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1CCN(C[C@@H]1c1ccccc1)S(=O)(=O)[*:1]
CN(C(=O)Cn1cc(C=O)c2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)Cn1cc(C=O)c2ccccc21)[*:1]
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)o1 O=[N+]([O-])[*:1] COc1ccc(cc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)o1)[*:1]
Cc1occc1-c1nnc(SCC(=O)Nc2cccc(I)c2)n1C Ic1cccc(c1)[*:1] Cc1occc1-c1nnc(SCC(=O)N[*:1])n1C
Cc1occc1-c1nnc(SCC(=O)Nc2cccc(I)c2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1cccc(I)c1
NC(=O)c1n[nH]c2ccc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)cc12 c1ccc(cc1)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)C1C[C@H](ON=1)[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)cc12 NC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])C1C[C@@H](ON=1)c1ccccc1
NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 NC(=O)[*:1] O=C1CCCC2Nc3c(cnn3[C@@H](C=21)c1ccccc1)[*:1]
NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 c1ccc(cc1)[*:1] NC(=O)c1cnn2c1NC1CCCC(=O)C=1[C@@H]2[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H]([C@@H]2CCCCC[C@@H]2[NH3+])C1 CS(=O)(=O)[*:1] [NH3+][C@H]1CCCCC[C@H]1[C@@H]1CCC[C@@H](C1)[*:1]
C/C(=N\NC(=O)c1nn(C)c(=O)c2ccccc12)[C@@H](c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] C/C(=N\NC(=O)c1nn(C)c(=O)c2ccccc12)[C@@H](N1CCOCC1)[*:1]
C/C(=N\NC(=O)c1nn(C)c(=O)c2ccccc12)[C@@H](c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] C/C(=N\NC(=O)c1nn(C)c(=O)c2ccccc12)[C@@H](c1ccccc1)[*:1]
O=C(CNC(=O)c1cc2sc(Nc3ccccc3)nc2s1)NC1CC1 c1ccc(cc1)N[*:1] O=C(CNC(=O)c1cc2sc(nc2s1)[*:1])NC1CC1
O=C(CNC(=O)c1cc2sc(Nc3ccccc3)nc2s1)NC1CC1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1cc2sc(nc2s1)N[*:1])NC1CC1
O=C(CNC(=O)c1cc2sc(Nc3ccccc3)nc2s1)NC1CC1 C1CC1[*:1] O=C(CNC(=O)c1cc2sc(nc2s1)Nc1ccccc1)N[*:1]
O=C(CNC(=O)c1cc2sc(Nc3ccccc3)nc2s1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(N[*:1])c1cc2sc(nc2s1)Nc1ccccc1
O=C(CNC(=O)c1cc2sc(Nc3ccccc3)nc2s1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NC[*:1])c1cc2sc(nc2s1)Nc1ccccc1
CN(C(=O)NCCCCOc1ccc(F)cc1)C1CCOCC1 Fc1ccc(cc1)[*:1] CN(C(=O)NCCCCO[*:1])C1CCOCC1
CN(C(=O)NCCCCOc1ccc(F)cc1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)NCCCCOc1ccc(F)cc1)[*:1]
CC(=O)N[C@@H]1CN(Cc2nc3ccccc3nc2C)C[C@H]1c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H]1CN(Cc2nc3ccccc3nc2C)C[C@H]1[*:1]
CC(=O)N[C@@H]1CN(Cc2nc3ccccc3nc2C)C[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@@H]1CN(Cc2nc3ccccc3nc2C)C[C@@H]1[*:1]
Oc1cccc(-c2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] Oc1cccc(c1)-c1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[nH]c(=O)c21 Fc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)SC[*:1]
Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[nH]c(=O)c21 Fc1ccc(cc1)C[*:1] Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)S[*:1]
Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[nH]c(=O)c21 Fc1ccc(cc1)CS[*:1] Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[nH]c(=O)c21 Cc1ccccc1NC(=O)[*:1] O=C1C[C@@H](c2c(nc([nH]c2=O)SCc2ccc(F)cc2)N1)[*:1]
Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[nH]c(=O)c21 Cc1ccccc1[*:1] O=C1C[C@H](C(=O)N[*:1])c2c(nc([nH]c2=O)SCc2ccc(F)cc2)N1
CCc1nnc2sc(-c3cc(-c4ccccc4)nc4ccccc34)nn12 c1ccc(cc1)[*:1] CCc1nnc2sc(nn12)-c1cc(nc2ccccc12)[*:1]
CCCCNC(=O)c1ccc(CNC(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] CCCCNC(=O)c1ccc(cc1)CNC(=O)[*:1]
CCCCNC(=O)c1ccc(CNC(=O)c2ccccc2F)cc1 CCCC[*:1] O=C(N[*:1])c1ccc(cc1)CNC(=O)c1ccccc1F
CCCCNC(=O)c1ccc(CNC(=O)c2ccccc2F)cc1 CCCCNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccccc1F
CCCCNC(=O)c1ccc(CNC(=O)c2ccccc2F)cc1 CCC[*:1] O=C(NC[*:1])c1ccc(cc1)CNC(=O)c1ccccc1F
CC(C)(C)c1cnc(CN[C@@H](C2CCCC2)C(F)(F)F)o1 FC(F)(F)[*:1] CC(C)(C)c1cnc(CN[C@@H](C2CCCC2)[*:1])o1
CC(C)(C)c1cnc(CN[C@@H](C2CCCC2)C(F)(F)F)o1 CC(C)(C)[*:1] FC(F)(F)[C@@H](NCc1ncc(o1)[*:1])C1CCCC1
CC(C)(C)c1cnc(CN[C@@H](C2CCCC2)C(F)(F)F)o1 C1CCC(C1)[*:1] CC(C)(C)c1cnc(CN[C@@H](C(F)(F)F)[*:1])o1
COc1cc(F)cc(CNC(=O)N[C@@H]2CCN(c3ncccc3F)C2)c1 Fc1cccnc1[*:1] COc1cc(F)cc(c1)CNC(=O)N[C@@H]1CCN(C1)[*:1]
O=C(COCc1nc2ccccc2s1)Nc1ccccc1N1CCCC1=O c1ccc2sc(nc2c1)[*:1] O=C(COC[*:1])Nc1ccccc1N1CCCC1=O
O=C(COCc1nc2ccccc2s1)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(COCc1nc2ccccc2s1)Nc1ccccc1[*:1]
O=C([O-])C[C@H]1CN(Cc2ccncc2)CCO1 O=C([O-])C[*:1] c1cc(ccn1)CN1CCO[C@H](C1)[*:1]
O=C([O-])C[C@H]1CN(Cc2ccncc2)CCO1 O=C([O-])[*:1] c1cc(ccn1)CN1CCO[C@H](C1)C[*:1]
CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] CCNC(=O)[*:1] O=[N+]([O-])c1c(Cl)cccc1[*:1]
CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNC(=O)c1cccc(Cl)c1[*:1]
COc1cccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CC2)c1O C1CC1[*:1] COc1cccc(C(=O)O[C@@H](C)C(=O)NC(=O)N[*:1])c1O
CCOc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc(Cl)c1OC(C)=O CC(=O)O[*:1] CCOc1cc(/C=C2/N=C(OC2=O)c2ccccc2Cl)cc(Cl)c1[*:1]
CCOc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc(Cl)c1OC(C)=O CCO[*:1] CC(=O)Oc1c(Cl)cc(/C=C2/N=C(OC2=O)c2ccccc2Cl)cc1[*:1]
CCOc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc(Cl)c1OC(C)=O Clc1ccccc1[*:1] CCOc1cc(/C=C2/N=C(OC2=O)[*:1])cc(Cl)c1OC(C)=O
O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CC[C@@H]1NC(=O)N(Cc2ccc3OCOc3c2)C1=O)N1CCN(CC1)[*:1]
O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCN(c2ccccc2)CC1 c1cc2OCOc2cc1C[*:1] O=C(CC[C@@H]1NC(=O)N(C1=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCN(c2ccccc2)CC1 c1cc2OCOc2cc1[*:1] O=C(CC[C@@H]1NC(=O)N(C[*:1])C1=O)N1CCN(CC1)c1ccccc1
CCOCCN1C(=O)[C@@](C)(CC)NC(=O)c2ccccc21 CCOC[*:1] CC[C@@]1(C)NC(=O)c2ccccc2N(C[*:1])C1=O
CCOCCN1C(=O)[C@@](C)(CC)NC(=O)c2ccccc21 CCO[*:1] CC[C@@]1(C)NC(=O)c2ccccc2N(CC[*:1])C1=O
CCOCCN1C(=O)[C@@](C)(CC)NC(=O)c2ccccc21 CCOCC[*:1] CC[C@@]1(C)NC(=O)c2ccccc2N(C1=O)[*:1]
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1cnn(-c2ccccc2)c1 CC(C)(C)C[*:1] O=C(Nc1cnn(c1)-c1ccccc1)[C@H]1CSCN1C(=O)[*:1]
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1cnn(c1)[*:1]
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1cnn(-c2ccccc2)c1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)-c1ccccc1)[C@H]1CSCN1C(=O)C[*:1]
O=C(NCc1cccnc1)C1(c2ccc(F)cc2F)CCOCC1 c1cncc(c1)[*:1] O=C(NC[*:1])C1(CCOCC1)c1ccc(F)cc1F
O=C(NCc1cccnc1)C1(c2ccc(F)cc2F)CCOCC1 c1cncc(c1)C[*:1] O=C(N[*:1])C1(CCOCC1)c1ccc(F)cc1F
O=C(NCc1cccnc1)C1(c2ccc(F)cc2F)CCOCC1 Fc1ccc(c(F)c1)[*:1] O=C(NCc1cccnc1)C1(CCOCC1)[*:1]
CCOc1cc(C#N)ccc1OCC(=O)N1CCc2ccccc21 CCO[*:1] N#Cc1ccc(OCC(=O)N2CCc3ccccc32)c(c1)[*:1]
CC(C)c1cccc(OCC(=O)N2CCC(O)(C(F)(F)F)CC2)c1 CC(C)[*:1] O=C(COc1cccc(c1)[*:1])N1CCC(O)(CC1)C(F)(F)F
CC(C)c1cccc(OCC(=O)N2CCC(O)(C(F)(F)F)CC2)c1 FC(F)(F)[*:1] CC(C)c1cccc(c1)OCC(=O)N1CCC(O)(CC1)[*:1]
COC[C@@](C)(O)CNC(=O)C1(c2ccc(F)cc2)CC1 COC[*:1] C[C@@](O)(CNC(=O)C1(CC1)c1ccc(F)cc1)[*:1]
N#C/C(=C/c1cccc(Cl)c1)C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] N#C/C(=C/c1cccc(Cl)c1)C(=O)N[*:1]
N#C/C(=C/c1cccc(Cl)c1)C(=O)Nc1ccccc1Cl Clc1cccc(c1)[*:1] N#CC(=C[*:1])C(=O)Nc1ccccc1Cl
CN(C)C(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2Cl)cc1 CN(C)C(=O)[*:1] N#Cc1ccc(OCC(=O)Nc2ccc(cc2)[*:1])c(Cl)c1
C[C@H](c1ccccc1)[S@](=O)Cc1csc(-c2ccsc2)n1 c1ccc(cc1)[*:1] C[C@H]([S@](=O)Cc1csc(n1)-c1ccsc1)[*:1]
C[C@H](c1ccccc1)[S@](=O)Cc1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] C[C@H](c1ccccc1)[S@](=O)Cc1csc(n1)[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NCc1ncc(-c2cccs2)o1 CC(C)C(=O)N[*:1] Cc1ccc(cc1NCc1ncc(o1)-c1cccs1)[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NCc1ncc(-c2cccs2)o1 c1csc(c1)[*:1] Cc1ccc(cc1NCc1ncc(o1)[*:1])NC(=O)C(C)C
Cc1ccc(NC(=O)C(C)C)cc1NCc1ncc(-c2cccs2)o1 CC(C)[*:1] Cc1ccc(cc1NCc1ncc(o1)-c1cccs1)NC(=O)[*:1]
Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1C1CC1 C1CN(CCO1)[*:1] Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(n1C1CC1)[*:1]
Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1C1CC1 Cc1ccccc1[*:1] C[C@H](Sc1nnc(N2CCOCC2)n1C1CC1)C(=O)N[*:1]
Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1C1CC1 C1CC1[*:1] Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1[*:1]
CCC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)C2=O c1ccc(nc1)[*:1] CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C[*:1])c1ccc(Cl)cc1)C2=O
CCC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)C2=O Clc1ccc(cc1)[*:1] CCC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccccn1)[*:1])C2=O
CCC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)C2=O c1ccc(C[*:1])nc1 CCC1CCC2(CC1)NC(=O)N(CC(=O)N(c1ccc(Cl)cc1)[*:1])C2=O
Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1ccccc1
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C([O-])C[C@@H](NS(=O)(=O)[*:1])c1ccc(F)cc1
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[*:1]
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 O=C([O-])[*:1] O=S(=O)(N[C@H](C[*:1])c1ccc(F)cc1)c1ccc(Cl)cc1
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 O=C([O-])C[*:1] O=S(=O)(N[C@@H](c1ccc(F)cc1)[*:1])c1ccc(Cl)cc1
CC[C@H]([NH2+][C@@H](C)c1cccnc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@H]([NH2+][C@@H](C)c1cccnc1)[*:1]
CCc1ccccc1NC(=O)CNc1cccc(Cl)c1-n1cccn1 c1cnn(c1)[*:1] CCc1ccccc1NC(=O)CNc1cccc(Cl)c1[*:1]
CCc1ccccc1NC(=O)CNc1cccc(Cl)c1-n1cccn1 CCc1ccccc1[*:1] O=C(CNc1cccc(Cl)c1-n1cccn1)N[*:1]
CCc1nn2c(ncc3c(=O)n(Cc4ccc(OC)cc4)ccc32)c1-c1ccccc1 c1ccc(cc1)[*:1] CCc1nn2c(ncc3c(=O)n(ccc32)Cc2ccc(cc2)OC)c1[*:1]
CCc1nn2c(ncc3c(=O)n(Cc4ccc(OC)cc4)ccc32)c1-c1ccccc1 COc1ccc(cc1)C[*:1] CCc1nn2c(ncc3c(=O)n(ccc32)[*:1])c1-c1ccccc1
CCc1nn2c(ncc3c(=O)n(Cc4ccc(OC)cc4)ccc32)c1-c1ccccc1 COc1ccc(cc1)[*:1] CCc1nn2c(ncc3c(=O)n(ccc32)C[*:1])c1-c1ccccc1
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])c([O-])c1 O=[N+]([O-])[*:1] O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(c([O-])c1)[*:1]
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])c([O-])c1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N/N=C/c1ccc(c([O-])c1)[N+](=O)[O-]
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])c([O-])c1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N/N=C/c1ccc(c([O-])c1)[N+](=O)[O-]
C[C@H]1CSC(SCc2nnnn2-c2ccc(OC(F)F)cc2)=N1 FC(F)[*:1] C[C@H]1CSC(=N1)SCc1nnnn1-c1ccc(cc1)O[*:1]
C[C@H]1CSC(SCc2nnnn2-c2ccc(OC(F)F)cc2)=N1 FC(F)O[*:1] C[C@H]1CSC(=N1)SCc1nnnn1-c1ccc(cc1)[*:1]
NC(=O)c1cc(Cl)ccc1O[C@H]1CCC[C@H]([NH3+])C1 NC(=O)[*:1] [NH3+][C@H]1CCC[C@@H](C1)Oc1ccc(Cl)cc1[*:1]
Cc1ccc(OCCC(=O)[C@@H](C#N)c2ccc(F)cn2)cc1C Fc1ccc(nc1)[*:1] Cc1ccc(cc1C)OCCC(=O)[C@@H](C#N)[*:1]
CCOC(=O)Cc1ccccc1NC(=O)c1cccc(-n2cccc2)c1 CCOC(=O)[*:1] O=C(Nc1ccccc1C[*:1])c1cccc(c1)-n1cccc1
CCOC(=O)Cc1ccccc1NC(=O)c1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] CCOC(=O)Cc1ccccc1NC(=O)c1cccc(c1)[*:1]
CCOC(=O)Cc1ccccc1NC(=O)c1cccc(-n2cccc2)c1 CCOC(=O)C[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)-n1cccc1
O=S1(=O)N=C(SCc2cccc(F)c2)Nc2ccccc21 Fc1cccc(c1)[*:1] O=S1(=O)N=C(Nc2ccccc21)SC[*:1]
O=C(CC1CCC1)NCCOc1cccnc1 C1CC(C1)[*:1] O=C(C[*:1])NCCOc1cccnc1
O=C(CC1CCC1)NCCOc1cccnc1 C1CC(C1)C[*:1] O=C(NCCOc1cccnc1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2O)CC1 N#Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N1CCN(CC1)c1ccccc1O
CC(C)CCNC(=O)[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1c1cccc(F)c1 CC(C)C[*:1] O=C(NC[*:1])[C@@H]1CN(C[C@H]1c1cccc(F)c1)C(=O)Cc1ccccc1
CC(C)CCNC(=O)[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1c1cccc(F)c1 c1ccc(cc1)C[*:1] CC(C)CCNC(=O)[C@@H]1CN(C[C@H]1c1cccc(F)c1)C(=O)[*:1]
CC(C)CCNC(=O)[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1c1cccc(F)c1 CC(C)CCNC(=O)[*:1] O=C(Cc1ccccc1)N1C[C@H]([C@@H](C1)c1cccc(F)c1)[*:1]
CC(C)CCNC(=O)[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1c1cccc(F)c1 CC(C)CC[*:1] O=C(N[*:1])[C@@H]1CN(C[C@H]1c1cccc(F)c1)C(=O)Cc1ccccc1
CC(C)CCNC(=O)[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)CCNC(=O)[C@@H]1CN(C[C@@H]1[*:1])C(=O)Cc1ccccc1
CC(C)CCNC(=O)[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1c1cccc(F)c1 CC(C)[*:1] O=C(NCC[*:1])[C@@H]1CN(C[C@H]1c1cccc(F)c1)C(=O)Cc1ccccc1
CC(C)CCNC(=O)[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1c1cccc(F)c1 c1ccc(cc1)[*:1] CC(C)CCNC(=O)[C@@H]1CN(C[C@H]1c1cccc(F)c1)C(=O)C[*:1]
CCCC1CCC(NC(=O)N2CCN(c3ncccn3)CC2)CC1 c1cnc(nc1)[*:1] CCCC1CCC(CC1)NC(=O)N1CCN(CC1)[*:1]
CCCC1CCC(NC(=O)N2CCN(c3ncccn3)CC2)CC1 CCC[*:1] O=C(NC1CCC(CC1)[*:1])N1CCN(CC1)c1ncccn1
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] Cc1nc(sc1C(=O)NNC(=O)[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(F)c(F)c1 C1CN(CCO1)[*:1] Cc1nc(sc1C(=O)NNC(=O)c1ccc(F)c(F)c1)[*:1]
COc1ccc([C@@H](C)NC(=O)c2ncccc2C(F)(F)F)c(OC)c1 FC(F)(F)[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC(=O)c1ncccc1[*:1]
CCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1cccs1)n2C c1csc(c1)[*:1] CCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)[*:1])n2C
CCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1cccs1)n2C CCC(=O)N[*:1] Cn1c(CCNC(=O)c2cccs2)nc2cc(ccc21)[*:1]
CCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1cccs1)n2C O=C(N[*:1])c1cccs1 CCC(=O)Nc1ccc2c(c1)nc(CC[*:1])n2C
CCC[C@@H]1C[C@H]1NC(=O)N1CCC(Nc2cccc(C)[nH+]2)CC1 CCC[*:1] Cc1cccc(NC2CCN(CC2)C(=O)N[C@@H]2C[C@H]2[*:1])[nH+]1
NC(=O)c1ccc(NC(=O)c2nn3ccccc3c2Cl)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1nn2ccccc2c1Cl
Cc1ccc(OC[C@@H](O)Cn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1C[C@H](O)CO[*:1]
Cc1ccc(OC[C@@H](O)Cn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 Cc1ccc(cc1)OC[*:1] O=C1C[C@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1C[C@H](O)[*:1]
Cc1ccc(OC[C@@H](O)Cn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)OC[C@@H](O)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(OC[C@@H](O)Cn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 Cc1ccc(cc1)O[*:1] O=C1C[C@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1C[C@H](O)C[*:1]
Cc1ccc(OC[C@@H](O)Cn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 Cc1ccc(cc1)OC[C@@H](O)[*:1] O=C1C[C@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1C[*:1]
NC(=O)[C@H]1CC(C(=O)NC[C@@H]2CCCO2)=NN1c1ccc(F)cc1 C1CO[C@@H](C1)C[*:1] NC(=O)[C@H]1CC(=NN1c1ccc(F)cc1)C(=O)N[*:1]
NC(=O)[C@H]1CC(C(=O)NC[C@@H]2CCCO2)=NN1c1ccc(F)cc1 NC(=O)[*:1] O=C(NC[C@@H]1CCCO1)C1C[C@@H](N(N=1)c1ccc(F)cc1)[*:1]
NC(=O)[C@H]1CC(C(=O)NC[C@@H]2CCCO2)=NN1c1ccc(F)cc1 C1CO[C@@H](C1)[*:1] NC(=O)[C@H]1CC(=NN1c1ccc(F)cc1)C(=O)NC[*:1]
NC(=O)[C@H]1CC(C(=O)NC[C@@H]2CCCO2)=NN1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@H]1CC(=NN1[*:1])C(=O)NC[C@@H]1CCCO1
CC(C)C[NH+]1CCN([C@@H]2CC[C@]([NH3+])(C(=O)[O-])C2)CC1 CC(C)[*:1] [NH3+][C@@]1(CC[C@H](C1)N1CC[NH+](CC1)C[*:1])C(=O)[O-]
CC(C)C[NH+]1CCN([C@@H]2CC[C@]([NH3+])(C(=O)[O-])C2)CC1 CC(C)C[*:1] [NH3+][C@@]1(CC[C@H](C1)N1CC[NH+](CC1)[*:1])C(=O)[O-]
CC(C)C[NH+]1CCN([C@@H]2CC[C@]([NH3+])(C(=O)[O-])C2)CC1 O=C([O-])[*:1] CC(C)C[NH+]1CCN(CC1)[C@@H]1CC[C@]([NH3+])(C1)[*:1]
CC(C)CCNC(=O)c1ccc[nH]c1=O CC(C)[*:1] O=C(NCC[*:1])c1ccc[nH]c1=O
CC(C)CCNC(=O)c1ccc[nH]c1=O CC(C)C[*:1] O=C(NC[*:1])c1ccc[nH]c1=O
CC(C)CCNC(=O)c1ccc[nH]c1=O CC(C)CC[*:1] O=C(N[*:1])c1ccc[nH]c1=O
C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CNC(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CNC(=O)[*:1])C1
C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CNC(=O)c2ccccc2)C1 O=C(N[*:1])c1ccccc1 C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C[*:1])C1
C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1cc(F)cc(F)c1 FC(F)CO[*:1] C[C@@H]([NH2+]Cc1cccnc1[*:1])c1cc(F)cc(F)c1
C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1cc(F)cc(F)c1 FC(F)C[*:1] C[C@@H]([NH2+]Cc1cccnc1O[*:1])c1cc(F)cc(F)c1
C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1cc(F)cc(F)c1 FC(F)[*:1] C[C@@H]([NH2+]Cc1cccnc1OC[*:1])c1cc(F)cc(F)c1
CC(C)CCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 CC(C)CC[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N[*:1]
CC(C)CCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 CC(C)C[*:1] O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NC[*:1]
CC(C)CCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 CC(C)[*:1] O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCC[*:1]
C/[NH+]=C(/NC[C@H]([C@H]1CCOC1)N1CCOCC1)NC(C)C C1C[C@@H](CO1)[*:1] C/[NH+]=C(/NC[C@H](N1CCOCC1)[*:1])NC(C)C
C/[NH+]=C(/NC[C@H]([C@H]1CCOC1)N1CCOCC1)NC(C)C CC(C)[*:1] C/[NH+]=C(/NC[C@H]([C@H]1CCOC1)N1CCOCC1)N[*:1]
C/[NH+]=C(/NC[C@H]([C@H]1CCOC1)N1CCOCC1)NC(C)C C1CN(CCO1)[*:1] C/[NH+]=C(/NC[C@H]([C@H]1CCOC1)[*:1])NC(C)C
Cc1cc(=O)c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c[nH]1 O=[N+]([O-])[*:1] Cc1cc(=O)c(c[nH]1)C(=O)NCCNc1ccc(cc1)[*:1]
COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(F)cc2C)CC1=O COc1ccccc1[*:1] Cc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(F)cc2C)CC1=O Cc1cc(F)ccc1[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)N[*:1]
COCCCn1c(S[C@H](C)c2ccccc2)n[nH]c1=O COC[*:1] C[C@@H](Sc1n[nH]c(=O)n1CC[*:1])c1ccccc1
COCCCn1c(S[C@H](C)c2ccccc2)n[nH]c1=O COCCC[*:1] C[C@@H](Sc1n[nH]c(=O)n1[*:1])c1ccccc1
COCCCn1c(S[C@H](C)c2ccccc2)n[nH]c1=O c1ccc(cc1)[*:1] COCCCn1c(n[nH]c1=O)S[C@H](C)[*:1]
COCCCn1c(S[C@H](C)c2ccccc2)n[nH]c1=O COCC[*:1] C[C@@H](Sc1n[nH]c(=O)n1C[*:1])c1ccccc1
O=C1N[C@H](C(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)CS1 O=C([O-])[*:1] O=C1N[C@@H](CS1)C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
COC(=O)c1ccc(CN2CC[NH+](CCC(C)C)CC2)o1 CC(C)C[*:1] COC(=O)c1ccc(CN2CC[NH+](CC2)C[*:1])o1
COC(=O)c1ccc(CN2CC[NH+](CCC(C)C)CC2)o1 CC(C)[*:1] COC(=O)c1ccc(CN2CC[NH+](CC2)CC[*:1])o1
COC(=O)c1ccc(CN2CC[NH+](CCC(C)C)CC2)o1 COC(=O)[*:1] CC(C)CC[NH+]1CCN(CC1)Cc1ccc(o1)[*:1]
COC(=O)c1ccc(CN2CC[NH+](CCC(C)C)CC2)o1 CC(C)CC[*:1] COC(=O)c1ccc(CN2CC[NH+](CC2)[*:1])o1
Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccnn1Cc1ccccn1 Cc1noc(C)c1[*:1] C[C@@H](CNC(=O)Nc1ccnn1Cc1ccccn1)[*:1]
Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccnn1Cc1ccccn1 c1ccc(nc1)[*:1] Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccnn1C[*:1]
Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccnn1Cc1ccccn1 c1ccc(C[*:1])nc1 Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccnn1[*:1]
O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1Cl)c1ccco1 O=C(N1CCOCC1)[*:1] O=C(Nc1c(cnn1-c1ccccc1Cl)[*:1])c1ccco1
O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1Cl)c1ccco1 Clc1ccccc1[*:1] O=C(Nc1c(cnn1[*:1])C(=O)N1CCOCC1)c1ccco1
O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1Cl)c1ccco1 c1coc(c1)[*:1] O=C(c1cnn(-c2ccccc2Cl)c1NC(=O)[*:1])N1CCOCC1
O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1Cl)c1ccco1 O=C(N[*:1])c1ccco1 O=C(c1cnn(-c2ccccc2Cl)c1[*:1])N1CCOCC1
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2OC3(CCCC3)Oc2c1)[*:1]
C[NH+](C)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)c1 NC(=O)[*:1] C[NH+](C)Cc1cccc(c1)C(=O)Nc1ccc(cc1[*:1])N1CCCCC1
C[NH+](C)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)c1 C1CCN(CC1)[*:1] C[NH+](C)Cc1cccc(c1)C(=O)Nc1ccc(cc1C(N)=O)[*:1]
C#CCN(CC#C)CC(=O)N[C@@H](C)c1ccccc1Cl C#CC[*:1] C#CCN(CC(=O)N[C@@H](C)c1ccccc1Cl)[*:1]
COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCC2)c1 COCC[*:1] O=C(NC1CCCC1)c1cc(ccc1Br)S(=O)(=O)N[*:1]
COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] COCCNS(=O)(=O)c1ccc(Br)c(c1)C(=O)N[*:1]
COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCC2)c1 COC[*:1] O=C(NC1CCCC1)c1cc(ccc1Br)S(=O)(=O)NC[*:1]
COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)cc1OC c1cc2OCOc2cc1[*:1] COc1ccc(cc1OC)-c1nnc(SCC(=O)N[*:1])n1C
COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)cc1OC COc1ccc(cc1OC)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccc2OCOc2c1
COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)Nc2ccccc2OC)cc1 COc1ccccc1NC(=O)[*:1] COc1ccc(cc1)[C@@H]1Nn2c(nnc2-c2ccccc2)S[C@@H]1[*:1]
COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)Nc2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)[C@@H]1Nn2c(nnc2-c2ccccc2)S[C@H]1C(=O)N[*:1]
COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)Nc2ccccc2OC)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1Nn2c(nnc2[*:1])S[C@H]1C(=O)Nc1ccccc1OC
COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)Nc2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1[*:1]
O=C(c1cccc(-c2ccccc2)c1)N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)[*:1])N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1
O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccsc1 c1cc(cs1)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CC[C@H](Oc1ccccc1C)C(=O)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] CC[C@H](Oc1ccccc1C)C(=O)N1CCC(O)(CC1)[*:1]
CC[C@H](Oc1ccccc1C)C(=O)N1CCC(O)(C(F)(F)F)CC1 Cc1ccccc1O[*:1] CC[C@H](C(=O)N1CCC(O)(CC1)C(F)(F)F)[*:1]
CC[C@H](Oc1ccccc1C)C(=O)N1CCC(O)(C(F)(F)F)CC1 Cc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)N1CCC(O)(CC1)C(F)(F)F
CCn1ccc2ccc(NC(=O)NCc3ccccc3COC)cc21 COC[*:1] CCn1ccc2ccc(cc21)NC(=O)NCc1ccccc1[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)COc1ccccc1F Fc1ccccc1[*:1] C[C@@H]1Cc2ccccc2N1C(=O)CO[*:1]
C=CCOCCCC(=O)N1CCSC[C@@H]1c1ccc(C)o1 C=CCOCC[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)C[*:1]
C=CCOCCCC(=O)N1CCSC[C@@H]1c1ccc(C)o1 C=CCO[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)CCC[*:1]
C=CCOCCCC(=O)N1CCSC[C@@H]1c1ccc(C)o1 C=CC[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)CCCO[*:1]
C=CCOCCCC(=O)N1CCSC[C@@H]1c1ccc(C)o1 C=CCOCCC[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)[*:1]
C=CCOCCCC(=O)N1CCSC[C@@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] C=CCOCCCC(=O)N1CCSC[C@H]1[*:1]
C=CCOCCCC(=O)N1CCSC[C@@H]1c1ccc(C)o1 C=CCOC[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)CC[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NCCO[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)C1 c1ccc(cc1)O[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NCC[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)C1 c1ccc(cc1)OCC[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)C1 c1ccc(cc1)OC[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
COc1cccc(C(=O)OCC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)OCC(=O)[*:1]
CN(C(=O)c1cccc(C[S@](C)=O)c1)[C@@H]1CCS(=O)(=O)C1 C[S@](=O)C[*:1] CN(C(=O)c1cccc(c1)[*:1])[C@@H]1CCS(=O)(=O)C1
CN(C(=O)c1cccc(C[S@](C)=O)c1)[C@@H]1CCS(=O)(=O)C1 C[S@](=O)[*:1] CN(C(=O)c1cccc(c1)C[*:1])[C@@H]1CCS(=O)(=O)C1
CN(C(=O)c1cccc(C[S@](C)=O)c1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CN(C(=O)c1cccc(c1)C[S@](C)=O)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCc2ccccc21)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCc2ccccc21)c1ccccc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccccc1)[*:1])N1CCc2ccccc21
CC[NH+](CC)C[C@@H]1CCN(CCS(N)(=O)=O)C1 NS(=O)(=O)C[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)C[*:1]
CC[NH+](CC)C[C@@H]1CCN(CCS(N)(=O)=O)C1 NS(=O)(=O)[*:1] CC[NH+](CC)C[C@@H]1CCN(CC[*:1])C1
CCOCC(=O)Nc1ccc(OCC(F)(F)F)nc1 FC(F)(F)C[*:1] CCOCC(=O)Nc1ccc(nc1)O[*:1]
CCOCC(=O)Nc1ccc(OCC(F)(F)F)nc1 FC(F)(F)[*:1] CCOCC(=O)Nc1ccc(nc1)OC[*:1]
CCOCC(=O)Nc1ccc(OCC(F)(F)F)nc1 CCOC[*:1] O=C(Nc1ccc(nc1)OCC(F)(F)F)[*:1]
CCOCC(=O)Nc1ccc(OCC(F)(F)F)nc1 FC(F)(F)CO[*:1] CCOCC(=O)Nc1ccc(nc1)[*:1]
CCOCC(=O)Nc1ccc(OCC(F)(F)F)nc1 CCO[*:1] O=C(C[*:1])Nc1ccc(nc1)OCC(F)(F)F
CSc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C CC(=O)[*:1] CSc1ccccc1NC(=O)c1[nH]c(C)c(c1C)[*:1]
CC(C)(C)n1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cn1 FC(F)(F)[*:1] CC(C)(C)n1cc(cn1)NC(=O)Cc1ccc(cc1)[*:1]
CC(C)(C)n1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cn1 CC(C)(C)[*:1] O=C(Cc1ccc(cc1)C(F)(F)F)Nc1cnn(c1)[*:1]
C=CCN(C(=O)NCc1ccccc1)[C@@H]1N=NC(=S)S1 C=CC[*:1] O=C(NCc1ccccc1)N([C@@H]1N=NC(=S)S1)[*:1]
C=CCN(C(=O)NCc1ccccc1)[C@@H]1N=NC(=S)S1 c1ccc(cc1)[*:1] C=CCN(C(=O)NC[*:1])[C@@H]1N=NC(=S)S1
C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O CC=C(C)[*:1] CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)[*:1])[C@H]1O
C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O C/C=C(/C)C(=O)O[*:1] CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H]([C@H]1O)[*:1]
CC(C)(C)c1nc(N)sc1Sc1ccccc1 CC(C)(C)[*:1] Nc1nc(c(Sc2ccccc2)s1)[*:1]
C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1OC COc1ccc(cc1)[*:1] C=CCOc1ccc(cc1OC)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1OC C=CCO[*:1] COc1ccc(cc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(c(c1)OC)[*:1]
C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1OC C=CCOc1ccc(cc1OC)[*:1] COc1ccc(cc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1OC C=CC[*:1] COc1ccc(cc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(O[*:1])c(c1)OC
COC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C COC[C@@H](C)[*:1] Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[*:1]
COC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C COC[*:1] Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H](C)[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(=N1)[*:1])Nc1ccc(Cl)c(Cl)c1
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(CCC(=O)N1CCC(=N1)c1ccccc1)N[*:1]
Cc1cccc(CC(=O)N2CCCC[C@@H]2c2c(-c3onc(C)c3C)cnn2C)c1 Cc1cccc(c1)[*:1] Cc1noc(-c2cnn(C)c2[C@H]2CCCCN2C(=O)C[*:1])c1C
Cc1cccc(CC(=O)N2CCCC[C@@H]2c2c(-c3onc(C)c3C)cnn2C)c1 Cc1cccc(c1)C[*:1] Cc1noc(-c2cnn(C)c2[C@H]2CCCCN2C(=O)[*:1])c1C
Cc1cccc(CC(=O)N2CCCC[C@@H]2c2c(-c3onc(C)c3C)cnn2C)c1 Cc1noc(c1C)[*:1] Cc1cccc(c1)CC(=O)N1CCCC[C@@H]1c1c(cnn1C)[*:1]
COc1ccc(C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)cc1[N+](=O)[O-] CC(C)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(C)c(c1)C(=O)N[*:1]
COc1ccc(C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)cc1[N+](=O)[O-] CC(C)NC(=O)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(C)c(c1)[*:1]
COc1ccc(C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc(C)c(c1)C(=O)NC(C)C
CC(C)(C)C(=O)Nc1ccc(CN2CCN(c3cccc[nH+]3)CC2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)CN1CCN(CC1)c1cccc[nH+]1)[*:1]
CC(C)(C)C(=O)Nc1ccc(CN2CCN(c3cccc[nH+]3)CC2)cc1 CC(C)(C)C(=O)N[*:1] c1ccc([nH+]c1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
O=C(NCCN1CCOCC1)c1ccc[nH]c1=O C1CN(CCO1)[*:1] O=C(NCC[*:1])c1ccc[nH]c1=O
C[C@@H]([C@@H](C)C(=O)[O-])n1ncc2ccc([N+](=O)[O-])cc21 O=C([O-])[*:1] C[C@@H]([C@@H](C)[*:1])n1ncc2ccc(cc21)[N+](=O)[O-]
C[C@@H]([C@@H](C)C(=O)[O-])n1ncc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] C[C@@H]([C@@H](C)C(=O)[O-])n1ncc2ccc(cc21)[*:1]
O=C(Cc1cccc(CNC(=O)c2cc3cccnn3n2)c1)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(NCc1cccc(c1)C[*:1])c1cc2cccnn2n1
O=C(Cc1cccc(CNC(=O)c2cc3cccnn3n2)c1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1cccc(c1)CNC(=O)c1cc2cccnn2n1)N[*:1]
CCCCOc1ccc(Cl)cc1 CCCC[*:1] Clc1ccc(cc1)O[*:1]
CCCCOc1ccc(Cl)cc1 CCC[*:1] Clc1ccc(cc1)OC[*:1]
C[C@@H](CCCO)Nc1ccc(C(=O)[O-])o1 OCCC[*:1] C[C@@H](Nc1ccc(o1)C(=O)[O-])[*:1]
C[C@@H](CCCO)Nc1ccc(C(=O)[O-])o1 OCC[*:1] C[C@@H](C[*:1])Nc1ccc(o1)C(=O)[O-]
C[C@@H](CCCO)Nc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] C[C@@H](CCCO)Nc1ccc(o1)[*:1]
Cc1ccc(C(=O)Nc2ccnn2C2CCCCC2)c(C)c1 C1CCC(CC1)[*:1] Cc1ccc(C(=O)Nc2ccnn2[*:1])c(C)c1
O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] O=C(NCc1ccccc1C[NH+]1CCCCC1)[*:1]
Cc1cccnc1-n1nc(C2CC2)nc1CCc1cc(Cl)no1 Clc1cc(on1)[*:1] Cc1cccnc1-n1nc(nc1CC[*:1])C1CC1
Cc1cccnc1-n1nc(C2CC2)nc1CCc1cc(Cl)no1 Clc1cc(C[*:1])on1 Cc1cccnc1-n1nc(nc1C[*:1])C1CC1
Cc1cccnc1-n1nc(C2CC2)nc1CCc1cc(Cl)no1 Cc1cccnc1[*:1] Clc1cc(CCc2nc(nn2[*:1])C2CC2)on1
Cc1cccnc1-n1nc(C2CC2)nc1CCc1cc(Cl)no1 C1CC1[*:1] Cc1cccnc1-n1nc(nc1CCc1cc(Cl)no1)[*:1]
O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc(F)cc1Br Fc1ccc(c(Br)c1)[*:1] O=C(OCCCn1c(=O)[nH]c2ccccc21)[*:1]
CCCc1ncc(C[NH+]2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)cn1 CCCc1ncc(cn1)C[*:1] CS(=O)(=O)N1Cc2ccccc2OC2(CC[NH+](CC2)[*:1])C1
CCCc1ncc(C[NH+]2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)cn1 CCC[*:1] CS(=O)(=O)N1Cc2ccccc2OC2(CC[NH+](CC2)Cc2cnc(nc2)[*:1])C1
CCCc1ncc(C[NH+]2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)cn1 CCCc1ncc(cn1)[*:1] CS(=O)(=O)N1Cc2ccccc2OC2(CC[NH+](CC2)C[*:1])C1
CC[C@@H](C)N/C(C)=C1\C(=O)C[C@H]2[C@@H]1C2(C)C CC[C@@H](C)[*:1] C/C(N[*:1])=C1/C(=O)C[C@H]2[C@@H]1C2(C)C
CC[C@@H](C)N/C(C)=C1\C(=O)C[C@H]2[C@@H]1C2(C)C CC[C@@H](C)N[*:1] CC(=C1C(=O)C[C@H]2[C@@H]1C2(C)C)[*:1]
CC[C@@H]([NH2+]C)c1ccccc1OC1CCCCC1 C1CCC(CC1)[*:1] CC[C@@H]([NH2+]C)c1ccccc1O[*:1]
CC(C)c1cccc(N2C[C@H](C(=O)N3CCN(c4nccs4)CC3)CC2=O)c1 c1csc(n1)[*:1] CC(C)c1cccc(c1)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
CC(C)c1cccc(N2C[C@H](C(=O)N3CCN(c4nccs4)CC3)CC2=O)c1 CC(C)[*:1] O=C([C@@H]1CC(=O)N(C1)c1cccc(c1)[*:1])N1CCN(CC1)c1nccs1
CC(C)c1cccc(N2C[C@H](C(=O)N3CCN(c4nccs4)CC3)CC2=O)c1 CC(C)c1cccc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1nccs1
CC(C)c1n[nH]c(-c2ccccc2NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)n1 c1ccn2cc(C[*:1])nc2c1 CC(C)c1n[nH]c(n1)-c1ccccc1NC(=O)c1cccc(c1)O[*:1]
CC(C)c1n[nH]c(-c2ccccc2NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)n1 CC(C)c1n[nH]c(n1)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)OCc1cn2ccccc2n1
CC(C)c1n[nH]c(-c2ccccc2NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)n1 c1ccn2cc(nc2c1)[*:1] CC(C)c1n[nH]c(n1)-c1ccccc1NC(=O)c1cccc(c1)OC[*:1]
CC(C)c1n[nH]c(-c2ccccc2NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)n1 CC(C)[*:1] O=C(Nc1ccccc1-c1nc(n[nH]1)[*:1])c1cccc(c1)OCc1cn2ccccc2n1
CC(C)c1n[nH]c(-c2ccccc2NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)n1 c1ccn2cc(CO[*:1])nc2c1 CC(C)c1n[nH]c(n1)-c1ccccc1NC(=O)c1cccc(c1)[*:1]
CCCCS[C@@H](C)C(=O)Nc1cccc(S(C)(=O)=O)c1 CCCCS[*:1] C[C@@H](C(=O)Nc1cccc(c1)S(C)(=O)=O)[*:1]
CCCCS[C@@H](C)C(=O)Nc1cccc(S(C)(=O)=O)c1 CCCC[*:1] C[C@H](S[*:1])C(=O)Nc1cccc(c1)S(C)(=O)=O
CCCCS[C@@H](C)C(=O)Nc1cccc(S(C)(=O)=O)c1 CCC[*:1] C[C@H](SC[*:1])C(=O)Nc1cccc(c1)S(C)(=O)=O
CCCCS[C@@H](C)C(=O)Nc1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCCCS[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
CC1(C)[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)CC[C@@]1(C)C(=O)[O-] c1ccc(cc1)C[*:1] CC1(C)[C@@H](CC[C@@]1(C)C(=O)[O-])C(=O)N(Cc1ccccc1)[*:1]
CC1(C)[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)CC[C@@]1(C)C(=O)[O-] O=C([O-])[*:1] CC1(C)[C@@H](CC[C@]1(C)[*:1])C(=O)N(Cc1ccccc1)Cc1ccccc1
CC1(C)[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)CC[C@@]1(C)C(=O)[O-] c1ccc(cc1)[*:1] CC1(C)[C@@H](CC[C@@]1(C)C(=O)[O-])C(=O)N(Cc1ccccc1)C[*:1]
O=C(Cn1cccn1)N1CC(c2nc3ccccc3[nH]2)C1 c1cnn(c1)C[*:1] O=C(N1CC(C1)c1nc2ccccc2[nH]1)[*:1]
O=C(Cn1cccn1)N1CC(c2nc3ccccc3[nH]2)C1 c1cnn(c1)[*:1] O=C(C[*:1])N1CC(C1)c1nc2ccccc2[nH]1
CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 CN(C(=O)c1ccco1)[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)C(c1ccccc1)c1ccccc1
CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1coc(c1)[*:1] CN(C(=O)[*:1])c1ccccc1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCN(CC1)C(c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1cc(Cl)cc(Cl)c1
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1cc(Cl)cc(Cl)c1)[*:1]
Cc1ccc(N2C(=O)N(c3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1N1C(=O)N([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
Cc1ccc(N2C(=O)N(c3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)N1C(=O)N([C@H]2CS(=O)(=O)C[C@H]21)[*:1]
Cn1cc([C@@H](O)CNC(=O)C(C)(C)Cc2cccc(Cl)c2)cn1 Clc1cccc(c1)[*:1] Cn1cc(cn1)[C@@H](O)CNC(=O)C(C)(C)C[*:1]
Cn1cc([C@@H](O)CNC(=O)C(C)(C)Cc2cccc(Cl)c2)cn1 Cn1cc(cn1)[*:1] CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@H](O)[*:1]
CCC[C@@H](C(=O)[O-])n1nc(/C=C/c2ccc(OC)cc2)ccc1=O COc1ccc(cc1)[*:1] CCC[C@@H](C(=O)[O-])n1nc(C=C[*:1])ccc1=O
CCC[C@@H](C(=O)[O-])n1nc(/C=C/c2ccc(OC)cc2)ccc1=O O=C([O-])[*:1] CCC[C@@H](n1nc(/C=C/c2ccc(cc2)OC)ccc1=O)[*:1]
CCC[C@@H](C(=O)[O-])n1nc(/C=C/c2ccc(OC)cc2)ccc1=O CCC[*:1] COc1ccc(/C=C/c2ccc(=O)n(n2)[C@H](C(=O)[O-])[*:1])cc1
C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(OC2CCOCC2)cc1 C1CC(CCO1)O[*:1] C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(cc1)[*:1]
C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(OC2CCOCC2)cc1 C1CC(CCO1)[*:1] C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(cc1)O[*:1]
Cc1cc(C)c(NC(=O)C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CC1CCCC1)NC1CC[NH+](CC1)CC(=O)N[*:1]
Cc1cc(C)c(NC(=O)C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c(C)c1 C1CCC(C1)[*:1] Cc1cc(C)c(NC(=O)C[NH+]2CCC(CC2)NC(=O)C[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c(C)c1 C1CCC(C1)C[*:1] Cc1cc(C)c(NC(=O)C[NH+]2CCC(CC2)NC(=O)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c(C)c1 O=C(CC1CCCC1)N[*:1] Cc1cc(C)c(NC(=O)C[NH+]2CCC(CC2)[*:1])c(C)c1
Cc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1Cl C1CN(CCO1)C[*:1] Cc1cc(ccc1Cl)S(=O)(=O)NCC[*:1]
Cc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1Cl C1CN(CCO1)[*:1] Cc1cc(ccc1Cl)S(=O)(=O)NCCC[*:1]
C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)(C)C CC(C)(C)[*:1] C[C@@H]([NH2+]CCC(=O)Nc1sc2CCCCc2c1C#N)[*:1]
O=C(C[C@H]1C[NH2+]CCO1)N1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C[C@H]1C[NH2+]CCO1)N1CC=C(CC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)N[C@H](C)c1ccc(cc1)-n1ccnc1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CC1(C)C[C@H](NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)CCO1 CC1(C)C[C@H](CCO1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1n[nH]c2cccc(F)c12
O=c1cc(COc2ccc(S(=O)(=O)c3ccccc3)cc2)c2cc3c(cc2o1)CCC3 c1ccc(cc1)[*:1] O=c1cc(COc2ccc(cc2)S(=O)(=O)[*:1])c2cc3CCCc3cc2o1
O=c1cc(COc2ccc(S(=O)(=O)c3ccccc3)cc2)c2cc3c(cc2o1)CCC3 O=S(=O)(c1ccccc1)[*:1] O=c1cc(COc2ccc(cc2)[*:1])c2cc3CCCc3cc2o1
C[C@@H]([NH2+]CCCOc1ccc(F)cc1)c1nc2ccccc2n1C Fc1ccc(cc1)O[*:1] C[C@@H]([NH2+]CCC[*:1])c1nc2ccccc2n1C
C[C@@H]([NH2+]CCCOc1ccc(F)cc1)c1nc2ccccc2n1C Fc1ccc(cc1)[*:1] C[C@@H]([NH2+]CCCO[*:1])c1nc2ccccc2n1C
O=C(c1ccc(Br)nc1)N1CCC[NH+](CCO)CC1 OCC[*:1] O=C(c1ccc(Br)nc1)N1CCC[NH+](CC1)[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccccn2)c1 c1ccc(nc1)[*:1] COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(c1)C(=O)N[C@H](C)[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccccn2)c1 COc1ccccc1[*:1] Cc1ccc(cc1C(=O)N[C@H](C)c1ccccn1)S(=O)(=O)N(C)[*:1]
O=C([O-])[C@@H]1CCCN(C(=O)/C=C/c2c(F)cccc2Cl)C1 O=C([O-])[*:1] O=C(/C=C/c1c(F)cccc1Cl)N1CCC[C@H](C1)[*:1]
Cn1cc(Br)cc([N-]S(=O)(=O)c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1cc(Br)cc([N-]S(=O)(=O)[*:1])c1=O
C[C@@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)c1nncn1C c1cnn(c1)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)C[*:1])c1nncn1C
C[C@@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)c1nncn1C c1cnn(c1)C[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1nncn1C
C[C@@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)c1nncn1C Cn1cnnc1[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)Cn1cccn1)[*:1]
O=C(CNC(=O)c1ccoc1)Nc1nncs1 c1cc(co1)[*:1] O=C(CNC(=O)[*:1])Nc1nncs1
O=C(CNC(=O)c1ccoc1)Nc1nncs1 c1nnc(s1)[*:1] O=C(CNC(=O)c1ccoc1)N[*:1]
Cc1cccc(Cn2cccc(C(=O)O[C@@H]3CCSC3)c2=O)c1 Cc1cccc(c1)[*:1] O=C(O[C@@H]1CCSC1)c1cccn(C[*:1])c1=O
O=C(NCc1ccc[nH]1)c1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCc1ccc[nH]1)c1cc(F)ccc1[*:1]
O=C(NCc1ccc[nH]1)c1cc(F)ccc1[N+](=O)[O-] c1c[nH]c(c1)C[*:1] O=C(N[*:1])c1cc(F)ccc1[N+](=O)[O-]
O=C(NCc1ccc[nH]1)c1cc(F)ccc1[N+](=O)[O-] c1c[nH]c(c1)[*:1] O=C(NC[*:1])c1cc(F)ccc1[N+](=O)[O-]
Cc1noc(CCC(=O)Nc2ccccc2N2CCCC2=O)n1 O=C1CCCN1[*:1] Cc1noc(CCC(=O)Nc2ccccc2[*:1])n1
Cc1noc(CCC(=O)Nc2ccccc2N2CCCC2=O)n1 Cc1noc(C[*:1])n1 O=C(C[*:1])Nc1ccccc1N1CCCC1=O
Cc1noc(CCC(=O)Nc2ccccc2N2CCCC2=O)n1 Cc1noc(n1)[*:1] O=C(CC[*:1])Nc1ccccc1N1CCCC1=O
[O-]/C(Cc1c(F)cccc1F)=N\c1ncn[nH]1 c1n[nH]c(n1)[*:1] [O-]C(Cc1c(F)cccc1F)=N[*:1]
Nc1ccc(C(F)(F)F)c(Cl)n1 FC(F)(F)[*:1] Nc1ccc(c(Cl)n1)[*:1]
Cc1cnc2c(S(=O)(=O)Nc3ccccc3OC(F)F)cccc2c1 FC(F)O[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)Nc1ccccc1[*:1]
Cc1cnc2c(S(=O)(=O)Nc3ccccc3OC(F)F)cccc2c1 FC(F)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)Nc1ccccc1O[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccco1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(NNC(=O)[C@H](Cc1ccccc1)[*:1])c1ccco1
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccco1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)NNC(=O)c1ccco1)c1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccco1)c1ccccc1 c1coc(c1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[*:1])c1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccco1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)[*:1])c1ccco1
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccco1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)NNC(=O)c1ccco1)[*:1])c1ccccc1
CC(C)C(=O)Nc1cccnc1-c1ccc([C@@H](C)N2CCOCC2)cc1 C[C@@H](N1CCOCC1)[*:1] CC(C)C(=O)Nc1cccnc1-c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1cccnc1-c1ccc([C@@H](C)N2CCOCC2)cc1 CC(C)C(=O)N[*:1] C[C@H](c1ccc(cc1)-c1ncccc1[*:1])N1CCOCC1
CC(C)C(=O)Nc1cccnc1-c1ccc([C@@H](C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(C)C(=O)Nc1cccnc1-c1ccc(cc1)[C@@H](C)[*:1]
CC(C)C(=O)Nc1cccnc1-c1ccc([C@@H](C)N2CCOCC2)cc1 CC(C)[*:1] C[C@H](c1ccc(cc1)-c1ncccc1NC(=O)[*:1])N1CCOCC1
C/[NH+]=C(/NCC1([NH+](C)C)CCOCC1)N1CC[C@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] C/[NH+]=C(/NCC1(CCOCC1)[NH+](C)C)N1CC[C@@H](C1)C[*:1]
C/[NH+]=C(/NCC1([NH+](C)C)CCOCC1)N1CC[C@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] C/[NH+]=C(/NCC1(CCOCC1)[NH+](C)C)N1CC[C@H](C1)[*:1]
CO[C@H](C)c1cccc(NC(=O)NCCC(=O)Nc2ccc(C)cc2Cl)c1 Cc1ccc(c(Cl)c1)[*:1] CO[C@H](C)c1cccc(c1)NC(=O)NCCC(=O)N[*:1]
O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1CCCO1 C1CN(CCO1)[*:1] O=C(NC[C@@H](c1cccc(Cl)c1)[*:1])[C@H]1CCCO1
O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)[*:1]
O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)[C@H]1CCCO1 Clc1cccc(c1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])[C@H]1CCCO1
O=C(NC(=S)N1CC[NH+](CCO)CC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC(=S)N1CC[NH+](CCO)CC1)c1cccc(c1)[*:1]
CCOC(=O)/C(=[NH+]/Nc1ccccc1[N+](=O)[O-])N1CCCCC1 O=[N+]([O-])[*:1] CCOC(=O)/C(=[NH+]/Nc1ccccc1[*:1])N1CCCCC1
O=C(c1cnc(-c2cccnc2)nc1)N1CCC2(CCCO2)CC1 c1cncc(c1)[*:1] O=C(c1cnc(nc1)[*:1])N1CCC2(CCCO2)CC1
C=CCN(CC(=O)OCC)C(=O)C1=Cc2cc(F)ccc2OC1 CCOC(=O)[*:1] C=CCN(C[*:1])C(=O)C1=Cc2cc(F)ccc2OC1
C=CCN(CC(=O)OCC)C(=O)C1=Cc2cc(F)ccc2OC1 CCOC(=O)C[*:1] C=CCN(C(=O)C1=Cc2cc(F)ccc2OC1)[*:1]
C=CCN(CC(=O)OCC)C(=O)C1=Cc2cc(F)ccc2OC1 C=CC[*:1] CCOC(=O)CN(C(=O)C1=Cc2cc(F)ccc2OC1)[*:1]
CCCO/N=C(/N)c1cccnc1N1CCCCC1 CCC[*:1] N/C(=N/O[*:1])c1cccnc1N1CCCCC1
CCCO/N=C(/N)c1cccnc1N1CCCCC1 C1CCN(CC1)[*:1] CCCO/N=C(/N)c1cccnc1[*:1]
COc1cc2c(cc1OC)C[NH+](CCOCCS)CC2 SCCO[*:1] COc1cc2CC[NH+](CC[*:1])Cc2cc1OC
COc1cc2c(cc1OC)C[NH+](CCOCCS)CC2 SCCOC[*:1] COc1cc2CC[NH+](Cc2cc1OC)C[*:1]
COc1cc2c(cc1OC)C[NH+](CCOCCS)CC2 SCC[*:1] COc1cc2CC[NH+](CCO[*:1])Cc2cc1OC
CNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)c(Cl)c1 CNC(=O)[*:1] CC(C)C(=O)N1CC[C@H](C1)NC(=O)Nc1ccc(cc1Cl)[*:1]
CNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)c(Cl)c1 CC(C)[*:1] CNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C2)C(=O)[*:1])c(Cl)c1
CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCc1ccccc1Cl CCO[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c3cccc(c3OCc3ccccc3Cl)[*:1])c2c(=O)[nH]1
CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCc1ccccc1Cl Clc1ccccc1CO[*:1] CCOc1cccc(c1[*:1])[C@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21
CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCc1ccccc1Cl Clc1ccccc1[*:1] CCOc1cccc(c1OC[*:1])[C@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21
CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCc1ccccc1Cl Clc1ccccc1C[*:1] CCOc1cccc(c1O[*:1])[C@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21
CCN1CC(=O)Nc2cc(-c3nc(-c4ccccc4OC)no3)ccc21 COc1ccccc1[*:1] CCN1CC(=O)Nc2cc(ccc21)-c1nc(no1)[*:1]
Cc1cc(C)n2ncc(C(=O)NCC(=O)Nc3ccccc3Br)c2n1 Brc1ccccc1[*:1] Cc1cc(C)n2ncc(C(=O)NCC(=O)N[*:1])c2n1
CCCC(=O)c1c(Nc2ccc(Br)cc2)cc(C)oc1=O Brc1ccc(cc1)[*:1] CCCC(=O)c1c(cc(C)oc1=O)N[*:1]
CCCC(=O)c1c(Nc2ccc(Br)cc2)cc(C)oc1=O CCC[*:1] Cc1cc(Nc2ccc(Br)cc2)c(C(=O)[*:1])c(=O)o1
CCCC(=O)c1c(Nc2ccc(Br)cc2)cc(C)oc1=O CCCC(=O)[*:1] Cc1cc(Nc2ccc(Br)cc2)c(c(=O)o1)[*:1]
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1c(Cl)cc(cc1NC(=O)C(C)(C)O[*:1])C(=O)[O-]
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 O=C([O-])[*:1] COc1c(Cl)cc(cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1)[*:1]
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 Brc1ccc(cc1)O[*:1] COc1c(Cl)cc(cc1NC(=O)C(C)(C)[*:1])C(=O)[O-]
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1cn[nH]c1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])Nc1cn[nH]c1
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1cn[nH]c1 C1CN(CCO1)[*:1] O=C(NC[C@@H](c1ccc(F)cc1)[*:1])Nc1cn[nH]c1
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)N[*:1]
Cc1nc(CN(CC(=O)[O-])c2cccc(Cl)c2)sc1C O=C([O-])C[*:1] Cc1nc(CN(c2cccc(Cl)c2)[*:1])sc1C
Cc1nc(CN(CC(=O)[O-])c2cccc(Cl)c2)sc1C O=C([O-])[*:1] Cc1nc(CN(C[*:1])c2cccc(Cl)c2)sc1C
CNC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H](Cc1cccc(C)c1)C1CC1 C1CC1[*:1] CNC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H](Cc1cccc(C)c1)[*:1]
CNC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H](Cc1cccc(C)c1)C1CC1 Cc1cccc(c1)[*:1] CNC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H](C[*:1])C1CC1
CNC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H](Cc1cccc(C)c1)C1CC1 CNC(=O)[*:1] Cc1cccc(c1)C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1[*:1])C1CC1
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC[C@H]1C O=[N+]([O-])[*:1] C[C@H](NC(=O)c1ccc(cc1Cl)[*:1])C(=O)N1CCCC[C@H]1C
O=C(NC(=S)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc(Cl)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(NC(=S)Nc1ccc(cc1)C(=O)N[*:1])c1cccc(Cl)c1
O=C(NC(=S)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc(Cl)c1 FC(F)(F)[*:1] O=C(NC(=S)Nc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1])c1cccc(Cl)c1
O=C(NC(=S)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1ccc(cc1)NC(=S)NC(=O)[*:1]
CN[C@@H]1C(=O)Nc2cc(S[C@@H]3CCC[C@@H](C)C3)c(Cl)cc21 C[C@@H]1CCC[C@H](C1)[*:1] CN[C@@H]1C(=O)Nc2cc(S[*:1])c(Cl)cc21
CCCCOc1cc([C@@H]2NC(=O)[C@@H]3COCCN32)ccc1OC CCC[*:1] COc1ccc(cc1OC[*:1])[C@@H]1NC(=O)[C@@H]2COCCN21
CCCCOc1cc([C@@H]2NC(=O)[C@@H]3COCCN32)ccc1OC CCCCO[*:1] COc1ccc(cc1[*:1])[C@@H]1NC(=O)[C@@H]2COCCN21
CCCCOc1cc([C@@H]2NC(=O)[C@@H]3COCCN32)ccc1OC CCCC[*:1] COc1ccc(cc1O[*:1])[C@@H]1NC(=O)[C@@H]2COCCN21
O=C1CCCN1c1ccc(CNc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C1CCCN1c1ccc(cc1)CNc1ccc(cn1)[*:1]
O=C1CCCN1c1ccc(CNc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 O=C1CCCN1[*:1] O=S(=O)(c1ccc(nc1)NCc1ccc(cc1)[*:1])N1CCCC1
CCc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1C[*:1] CCc1ccc(cc1)N1C(=O)Nc2ccccc2[C@]1(O)C(=O)N[*:1]
CCc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccc3c(c2)OCO3)cc1 CCc1ccc(cc1)[*:1] O=C1Nc2ccccc2[C@](O)(C(=O)NCc2ccc3OCOc3c2)N1[*:1]
CCc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] CCc1ccc(cc1)N1C(=O)Nc2ccccc2[C@]1(O)C(=O)NC[*:1]
COc1cccc(/C(C)=N\NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)/C(C)=N\NC(=O)[C@H](C)S[*:1]
COc1cccc(/C(C)=N\NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 Clc1ccc(cc1)S[*:1] COc1cccc(c1)/C(C)=N\NC(=O)[C@H](C)[*:1]
COc1cccc(/C(C)=N\NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 COc1cccc(c1)[*:1] CC(=NNC(=O)[C@H](C)Sc1ccc(Cl)cc1)[*:1]
C[C@H]1C[C@@H]1c1cc(NC(=O)CCCn2ccnn2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1c1cc(NC(=O)CCCn2ccnn2)n(n1)[*:1]
C[C@H]1C[C@@H]1c1cc(NC(=O)CCCn2ccnn2)n(-c2ccccc2)n1 c1cn(C[*:1])nn1 C[C@H]1C[C@@H]1c1cc(NC(=O)CC[*:1])n(n1)-c1ccccc1
C[C@H]1C[C@@H]1c1cc(NC(=O)CCCn2ccnn2)n(-c2ccccc2)n1 c1cn(nn1)[*:1] C[C@H]1C[C@@H]1c1cc(NC(=O)CCC[*:1])n(n1)-c1ccccc1
C[C@H]1C[C@@H]1c1cc(NC(=O)CCCn2ccnn2)n(-c2ccccc2)n1 c1cn(CC[*:1])nn1 C[C@H]1C[C@@H]1c1cc(NC(=O)C[*:1])n(n1)-c1ccccc1
C[C@H]1C[C@@H]1c1cc(NC(=O)CCCn2ccnn2)n(-c2ccccc2)n1 c1cn(CCC[*:1])nn1 C[C@H]1C[C@@H]1c1cc(NC(=O)[*:1])n(n1)-c1ccccc1
CC(C)[C@@H]1CCC(=O)[C@H](C[C@@H](C)O)C1 C[C@@H](O)[*:1] CC(C)[C@@H]1CCC(=O)[C@@H](C1)C[*:1]
CC(C)[C@@H]1CCC(=O)[C@H](C[C@@H](C)O)C1 C[C@@H](O)C[*:1] CC(C)[C@@H]1CCC(=O)[C@H](C1)[*:1]
CC(C)[C@@H]1CCC(=O)[C@H](C[C@@H](C)O)C1 CC(C)[*:1] C[C@@H](O)C[C@@H]1C[C@@H](CCC1=O)[*:1]
O=C1N[C@@H](c2ccccc2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 c1cncc(c1)[*:1] O=C1N[C@@H](c2ccccc2)[C@@H](C(=O)[*:1])[C@@](O)(N1)C(F)(F)F
O=C1N[C@@H](c2ccccc2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 FC(F)(F)[*:1] O=C1N[C@@H](c2ccccc2)[C@@H](C(=O)c2cccnc2)[C@](O)(N1)[*:1]
O=C1N[C@@H](c2ccccc2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 O=C(c1cccnc1)[*:1] O=C1N[C@@H](c2ccccc2)[C@@H]([C@@](O)(N1)C(F)(F)F)[*:1]
O=C1N[C@@H](c2ccccc2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 c1ccc(cc1)[*:1] O=C1N[C@@H]([C@@H](C(=O)c2cccnc2)[C@@](O)(N1)C(F)(F)F)[*:1]
CN(CCCOc1ccccc1)C(=O)c1ccc(-c2cscn2)cc1 c1ccc(cc1)[*:1] CN(CCCO[*:1])C(=O)c1ccc(cc1)-c1cscn1
CN(CCCOc1ccccc1)C(=O)c1ccc(-c2cscn2)cc1 c1ccc(cc1)OC[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)-c1cscn1
CN(CCCOc1ccccc1)C(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] CN(CCCOc1ccccc1)C(=O)c1ccc(cc1)[*:1]
CN(CCCOc1ccccc1)C(=O)c1ccc(-c2cscn2)cc1 c1ccc(cc1)O[*:1] CN(CCC[*:1])C(=O)c1ccc(cc1)-c1cscn1
O=C(NCCN1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc2c(c1)OCO2 c1ccc2c(cccc2c1)[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])c1ccc2OCOc2c1
O=C(NCCN1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(c1cccc2ccccc12)N1CCN(CCNC(=O)[*:1])CC1
O=C(C[NH2+]CC1CCCC1)Nc1cccc(F)c1 C1CCC(C1)[*:1] O=C(C[NH2+]C[*:1])Nc1cccc(F)c1
O=C(C[NH2+]CC1CCCC1)Nc1cccc(F)c1 C1CCC(C1)C[*:1] O=C(C[NH2+][*:1])Nc1cccc(F)c1
Cc1ccc(C)c(NC(=O)CNC(=O)c2c[nH]c3ccccc23)c1 Cc1ccc(C)c(c1)[*:1] O=C(CNC(=O)c1c[nH]c2ccccc12)N[*:1]
C[C@H]1C(=O)OC[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@]312 O=C([O-])[*:1] C[C@H]1C(=O)OC[C@H]2C(=C[C@@H]3CC(C)(C)C[C@]312)[*:1]
O=C(COc1ccccc1Br)Nc1cc(Cl)ccc1-n1cncn1 c1ncn(n1)[*:1] O=C(COc1ccccc1Br)Nc1cc(Cl)ccc1[*:1]
O=C(COc1ccccc1Br)Nc1cc(Cl)ccc1-n1cncn1 Brc1ccccc1O[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1-n1cncn1
O=C(COc1ccccc1Br)Nc1cc(Cl)ccc1-n1cncn1 Brc1ccccc1[*:1] O=C(CO[*:1])Nc1cc(Cl)ccc1-n1cncn1
C[C@](O)(CN[C@H](c1ccccn1)C1CCCC1)c1ccsc1 c1ccc(nc1)[*:1] C[C@](O)(CN[C@H](C1CCCC1)[*:1])c1ccsc1
C[C@](O)(CN[C@H](c1ccccn1)C1CCCC1)c1ccsc1 C1CCC(C1)[*:1] C[C@](O)(CN[C@H](c1ccccn1)[*:1])c1ccsc1
C[C@](O)(CN[C@H](c1ccccn1)C1CCCC1)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CN[C@H](c1ccccn1)C1CCCC1)[*:1]
CCOc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1Br CCO[*:1] Cc1ccccc1OCC(=O)NNC(=O)c1ccc(c(Br)c1)[*:1]
CCOc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1Br Cc1ccccc1[*:1] CCOc1ccc(cc1Br)C(=O)NNC(=O)CO[*:1]
CCOc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1Br Cc1ccccc1O[*:1] CCOc1ccc(cc1Br)C(=O)NNC(=O)C[*:1]
O=C(CS[C@H]1NN=C(c2cccs2)O1)C1=CC(C(=O)N2CCCC2)=NC1 c1csc(c1)[*:1] O=C(CS[C@H]1NN=C(O1)[*:1])C1=CC(=NC1)C(=O)N1CCCC1
CC(=O)NCCNC(=O)Nc1cc(C)cc2cccnc12 CC(=O)N[*:1] Cc1cc(NC(=O)NCC[*:1])c2ncccc2c1
CC(=O)NCCNC(=O)Nc1cc(C)cc2cccnc12 CC(=O)NC[*:1] Cc1cc(NC(=O)NC[*:1])c2ncccc2c1
CC(=O)NCCNC(=O)Nc1cc(C)cc2cccnc12 CC(=O)NCC[*:1] Cc1cc(NC(=O)N[*:1])c2ncccc2c1
Cc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc1F Cc1ccc(cc1F)[*:1] O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
Cc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc1F C1CC1[*:1] Cc1ccc(cc1F)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
Cn1ccc(NC(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)n1 Cn1ccc(n1)[*:1] O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)N[*:1]
Cn1ccc(NC(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)n1 C1CCC(C1)[*:1] Cn1ccc(n1)NC(=O)N[C@@H]1CCCC[C@H]1O[*:1]
Cn1ccc(NC(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)n1 C1CCC(C1)O[*:1] Cn1ccc(n1)NC(=O)N[C@@H]1CCCC[C@@H]1[*:1]
O=C1CN(Cc2nc(Cc3cccc(Cl)c3)no2)C(=O)N1 Clc1cccc(c1)[*:1] O=C1CN(Cc2nc(C[*:1])no2)C(=O)N1
O=C1CN(Cc2nc(Cc3cccc(Cl)c3)no2)C(=O)N1 O=C1CN(C(=O)N1)[*:1] Clc1cccc(c1)Cc1noc(C[*:1])n1
CS(=O)(=O)c1ncc(C[NH+]2CCSCC2)n1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CS(=O)(=O)c1ncc(C[NH+]2CCSCC2)n1C[*:1]
CS(=O)(=O)c1ncc(C[NH+]2CCSCC2)n1C[C@H]1CCCO1 CS(=O)(=O)[*:1] c1nc(n(C[C@H]2CCCO2)c1C[NH+]1CCSCC1)[*:1]
CS(=O)(=O)c1ncc(C[NH+]2CCSCC2)n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CS(=O)(=O)c1ncc(C[NH+]2CCSCC2)n1[*:1]
C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCn1nc(C)c(Br)c1C NC(=O)[*:1] C[NH2+][C@]1(CCC[C@@H]1CCn1nc(C)c(Br)c1C)[*:1]
O=C(Cc1noc2ccccc12)OC/C=C/c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1noc2ccccc12)OCC=C[*:1]
COC[C@H](NC(=O)N1CCO[C@H](C)C1)c1ccc(F)c(F)c1 COC[*:1] C[C@@H]1CN(CCO1)C(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
Cc1cc(C)cc(NC(=O)CSc2nnc3[nH]c(=O)c(C)c(C)n23)c1 Cc1cc(C)cc(c1)[*:1] Cc1c(C)n2c(nnc2[nH]c1=O)SCC(=O)N[*:1]
Cc1cc2[nH]c(C)c(C/C=C/c3ccccc3)c(=O)n2n1 c1ccc(cc1)[*:1] Cc1cc2[nH]c(C)c(CC=C[*:1])c(=O)n2n1
C[C@H](Sc1ccccc1)C(=O)Nc1nc2ccccc2s1 c1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)Nc1nc2ccccc2s1
C[C@H](Sc1ccccc1)C(=O)Nc1nc2ccccc2s1 c1ccc(cc1)S[*:1] C[C@H](C(=O)Nc1nc2ccccc2s1)[*:1]
O=S(=O)(NCCO)c1cccc2cccnc12 OCC[*:1] O=S(=O)(N[*:1])c1cccc2cccnc12
O=C1CN(C(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c2ccccc2N1 Clc1ccccc1[*:1] O=C1CN(C(=O)COC(=O)c2cc(nc3ccccc23)[*:1])c2ccccc2N1
COc1ccc(-n2ccnc2SCCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)-n1ccnc1SC[*:1]
COc1ccc(-n2ccnc2SCCN2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)-n1ccnc1SCC[*:1]
O=[N+]([O-])c1c(Nc2ccccn2)cc(Cl)c2nonc12 c1ccc(nc1)[*:1] O=[N+]([O-])c1c(cc(Cl)c2nonc12)N[*:1]
O=[N+]([O-])c1c(Nc2ccccn2)cc(Cl)c2nonc12 O=[N+]([O-])[*:1] Clc1cc(Nc2ccccn2)c(c2nonc12)[*:1]
CCC[NH2+][C@@H](c1occc1C)[C@@H](C)c1ccccn1 CCC[*:1] Cc1ccoc1[C@H]([NH2+][*:1])[C@@H](C)c1ccccn1
CCC[NH2+][C@@H](c1occc1C)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] CCC[NH2+][C@@H](c1occc1C)[C@@H](C)[*:1]
CCC[NH2+][C@@H](c1occc1C)[C@@H](C)c1ccccn1 Cc1ccoc1[*:1] CCC[NH2+][C@@H]([C@@H](C)c1ccccn1)[*:1]
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 O=C([O-])[*:1] O=C(Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)[C@@H]1CC=CC[C@H]1[*:1]
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 O=C(N1CCOCC1)[*:1] O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1nc2ccc(C(=O)N3CC[C@@H](c4ccccc4Cl)C3)cc2nc1C Clc1ccccc1[*:1] Cc1nc2ccc(cc2nc1C)C(=O)N1CC[C@@H](C1)[*:1]
C=CCNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)N3CCOCC3)[C@@H](O)[C@H]1[C@@H]2C O=C(N1CCOCC1)[*:1] C=CCNc1[nH+]c2c(C[C@@]3(C)CC[C@@H]([C@H](C)[*:1])[C@@H](O)[C@H]3[C@@H]2C)s1
C=CCNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)N3CCOCC3)[C@@H](O)[C@H]1[C@@H]2C C=CCN[*:1] C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)Cc3sc([nH+]c3[C@@H](C)[C@@H]2[C@@H]1O)[*:1]
C=CCNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)N3CCOCC3)[C@@H](O)[C@H]1[C@@H]2C C=CC[*:1] C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)Cc3sc(N[*:1])[nH+]c3[C@@H](C)[C@@H]2[C@@H]1O
C=CCNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)N3CCOCC3)[C@@H](O)[C@H]1[C@@H]2C C[C@H](C(=O)N1CCOCC1)[*:1] C=CCNc1[nH+]c2c(C[C@@]3(C)CC[C@@H]([C@@H](O)[C@H]3[C@@H]2C)[*:1])s1
Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=[NH+][C@@H]2c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1cc(=O)n2c(n1)NC(=[NH+][C@H]2[*:1])N1CC[NH+](C)CC1
C[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(F)cc1F c1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)NC(=O)[*:1])c1ccc(F)cc1F
C[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(F)cc1F O=C(N[*:1])c1ccccc1 C[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(F)cc1F
C[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)NC(=O)c1ccccc1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)c1cc2ccccc2o1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)c1cc2ccccc2o1
C[C@H](CCc1ccccc1)NC(=O)c1cc2ccccc2o1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)c1cc2ccccc2o1
Cc1cc(OCC(=O)NC#N)ccc1Cl N#CNC(=O)[*:1] Cc1cc(ccc1Cl)OC[*:1]
CC[C@H]1CCCCN1c1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1N FC(F)(F)[*:1] CC[C@H]1CCCCN1c1ncnc(Nc2ccc(cc2)O[*:1])c1N
CC[C@H]1CCCCN1c1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1N FC(F)(F)O[*:1] CC[C@H]1CCCCN1c1ncnc(Nc2ccc(cc2)[*:1])c1N
COc1cccc(-c2noc3c2CN(Cc2coc(C(C)C)n2)CC3)c1 COc1cccc(c1)[*:1] CC(C)c1nc(co1)CN1CCc2onc(c2C1)[*:1]
COc1cccc(-c2noc3c2CN(Cc2coc(C(C)C)n2)CC3)c1 CC(C)[*:1] COc1cccc(c1)-c1noc2CCN(Cc3coc(n3)[*:1])Cc12
COc1cccc(-c2noc3c2CN(Cc2coc(C(C)C)n2)CC3)c1 CC(C)c1nc(co1)[*:1] COc1cccc(c1)-c1noc2CCN(Cc12)C[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@@H](C[NH+](C)C)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@H](C[NH+](C)C)C[*:1]
CN(C)c1ccccc1NC(=O)C(=O)NCC(=O)NC1CC1 O=C(C[*:1])NC1CC1 CN(C)c1ccccc1NC(=O)C(=O)N[*:1]
CN(C)c1ccccc1NC(=O)C(=O)NCC(=O)NC1CC1 C1CC1[*:1] CN(C)c1ccccc1NC(=O)C(=O)NCC(=O)N[*:1]
CN(C)c1ccccc1NC(=O)C(=O)NCC(=O)NC1CC1 CN(C)[*:1] O=C(CNC(=O)C(=O)Nc1ccccc1[*:1])NC1CC1
CN(C)c1ccccc1NC(=O)C(=O)NCC(=O)NC1CC1 O=C(NC1CC1)[*:1] CN(C)c1ccccc1NC(=O)C(=O)NC[*:1]
C[C@H](N1CCN(Cc2cccc(-c3ccncc3)c2)CC1)C(F)(F)F c1cc(ccn1)[*:1] C[C@H](N1CCN(CC1)Cc1cccc(c1)[*:1])C(F)(F)F
C[C@H](N1CCN(Cc2cccc(-c3ccncc3)c2)CC1)C(F)(F)F FC(F)(F)[*:1] C[C@H](N1CCN(CC1)Cc1cccc(c1)-c1ccncc1)[*:1]
O=C(Nc1ccccc1)c1ccc(C(=O)N2CCOC[C@@H]2CCO)cc1 OCC[*:1] O=C(Nc1ccccc1)c1ccc(cc1)C(=O)N1CCOC[C@H]1[*:1]
O=C(Nc1ccccc1)c1ccc(C(=O)N2CCOC[C@@H]2CCO)cc1 c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)C(=O)N1CCOC[C@@H]1CCO
Cc1cnn(CC(=O)N[C@H](C)c2cc3cc(Cl)ccc3o2)c1 Cc1cnn(c1)[*:1] C[C@@H](NC(=O)C[*:1])c1cc2cc(Cl)ccc2o1
Cc1cnn(CC(=O)N[C@H](C)c2cc3cc(Cl)ccc3o2)c1 Cc1cnn(c1)C[*:1] C[C@@H](NC(=O)[*:1])c1cc2cc(Cl)ccc2o1
CS(=O)(=O)c1ccccc1C(=O)NCCSc1ccc(Cl)cc1 CS(=O)(=O)[*:1] O=C(NCCSc1ccc(Cl)cc1)c1ccccc1[*:1]
CS(=O)(=O)c1ccccc1C(=O)NCCSc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)c1ccccc1C(=O)NCCS[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1NS(=O)(=O)c1ccc2ccccc2c1 Clc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1NS(=O)(=O)c1ccc2ccccc2c1
Cc1nn(Cc2ccccc2Cl)c(C)c1NS(=O)(=O)c1ccc2ccccc2c1 Clc1ccccc1C[*:1] Cc1nn(c(C)c1NS(=O)(=O)c1ccc2ccccc2c1)[*:1]
CC[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CC[C@H]1CCCN(C1)C(=O)[C@H](C)NS(=O)(=O)[*:1]
Cn1ccnc1-c1sc(NC(=O)c2ccccc2Br)nc1-c1ccccc1 Cn1ccnc1[*:1] O=C(Nc1nc(-c2ccccc2)c(s1)[*:1])c1ccccc1Br
Cn1ccnc1-c1sc(NC(=O)c2ccccc2Br)nc1-c1ccccc1 Brc1ccccc1[*:1] Cn1ccnc1-c1sc(nc1-c1ccccc1)NC(=O)[*:1]
Cn1ccnc1-c1sc(NC(=O)c2ccccc2Br)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1-c1sc(nc1[*:1])NC(=O)c1ccccc1Br
O=C(C1CCCCC1)N1CCC[C@H](c2ncc3c(n2)CC[NH2+]C3)C1 C1CCC(CC1)[*:1] O=C(N1CCC[C@@H](C1)c1ncc2C[NH2+]CCc2n1)[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 CC[C@H](C)[*:1] O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)C(=O)N[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1[*:1]
Cc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+](C)C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+](C)C
Cc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccccc1)[*:1]
Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)N(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)N(C)[*:1]
Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)N(C)c1ccccc1 CN(c1ccccc1)[*:1] Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)[*:1]
Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)N(C)c1ccccc1 Cc1ccc(F)cc1[*:1] C[C@@H](CNC(=O)C(=O)N[*:1])N(C)c1ccccc1
CCOc1ccc([C@@]2(O)CN(c3ccc(OC)cc3)C3=[N+]2CCCC3)cc1 CCO[*:1] COc1ccc(cc1)N1C[C@](O)(c2ccc(cc2)[*:1])[N+]2CCCCC=21
CCOc1ccc([C@@]2(O)CN(c3ccc(OC)cc3)C3=[N+]2CCCC3)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@](O)([N+]2CCCCC=21)[*:1]
CCOc1ccc([C@@]2(O)CN(c3ccc(OC)cc3)C3=[N+]2CCCC3)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@]1(O)CN(C2CCCC[N+]=21)[*:1]
C[C@@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H]1C c1ccc(cc1)[*:1] C[C@@H]1CCC[C@H](NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])[C@@H]1C
CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1C CCO[*:1] CCN1C(=O)C(C)(C)COc2cc(ccc21)NS(=O)(=O)c1ccc(c(C)c1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1C CCOc1ccc(cc1C)[*:1] CCN1C(=O)C(C)(C)COc2cc(ccc21)NS(=O)(=O)[*:1]
Cc1nc(C[NH+]2CCN(Cc3cccn3Cc3cccs3)CC2)oc1C Cc1nc(oc1C)[*:1] c1csc(c1)Cn1cccc1CN1CC[NH+](CC1)C[*:1]
Cc1nc(C[NH+]2CCN(Cc3cccn3Cc3cccs3)CC2)oc1C c1csc(c1)C[*:1] Cc1nc(C[NH+]2CCN(CC2)Cc2cccn2[*:1])oc1C
Cc1nc(C[NH+]2CCN(Cc3cccn3Cc3cccs3)CC2)oc1C c1csc(c1)[*:1] Cc1nc(C[NH+]2CCN(CC2)Cc2cccn2C[*:1])oc1C
Cc1nc(C[NH+]2CCN(Cc3cccn3Cc3cccs3)CC2)oc1C Cc1nc(C[*:1])oc1C c1csc(c1)Cn1cccc1CN1CC[NH+](CC1)[*:1]
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CSc1ccc(C#N)cc1 NC(=O)[*:1] C[C@H]1CC[C@H](CN1C(=O)CSc1ccc(C#N)cc1)[*:1]
C[C@@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O C[C@@H](O)CC[*:1] Cn1cnc2c1c(=O)n(CC[*:1])c(=O)n2C
C[C@@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O C[C@@H](O)[*:1] Cn1cnc2c1c(=O)n(CCCC[*:1])c(=O)n2C
C[C@@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O C[C@@H](O)CCC[*:1] Cn1cnc2c1c(=O)n(C[*:1])c(=O)n2C
C[C@@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O C[C@@H](O)C[*:1] Cn1cnc2c1c(=O)n(CCC[*:1])c(=O)n2C
CC(C)(C)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 CC(C)(C)[*:1] O=C(CCCNS(=O)(=O)c1ccc2CCCCc2c1)N[*:1]
CC(C)(C)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 CC(C)(C)NC(=O)C[*:1] O=S(=O)(NCC[*:1])c1ccc2CCCCc2c1
CC(C)(C)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 CC(C)(C)NC(=O)[*:1] O=S(=O)(NCCC[*:1])c1ccc2CCCCc2c1
[NH3+]Cc1ccccc1NC(=O)N[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] [NH3+]Cc1ccccc1NC(=O)N[*:1]
O=C(COC[C@H]1CCCCO1)N1CCCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(COC[C@H]1CCCCO1)N1CCCN(CC1)[*:1]
C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N([C@H]2C=CCCC2)C1=O CS(=O)(=O)[*:1] C[C@]1(NC(=O)N(C1=O)[C@H]1C=CCCC1)c1ccc(cc1)[*:1]
Cc1cn2c(=O)c(C(=O)NCC(=O)NC3CC3)cnc2s1 O=C(NC1CC1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NC[*:1]
Cc1cn2c(=O)c(C(=O)NCC(=O)NC3CC3)cnc2s1 C1CC1[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NCC(=O)N[*:1]
Cc1cn2c(=O)c(C(=O)NCC(=O)NC3CC3)cnc2s1 O=C(C[*:1])NC1CC1 Cc1cn2c(=O)c(cnc2s1)C(=O)N[*:1]
Cn1c(-c2ccccc2)nn(C[NH+]2CC=C(c3ccccc3)CC2)c1=S c1ccc(cc1)[*:1] Cn1c(nn(C[NH+]2CC=C(CC2)[*:1])c1=S)-c1ccccc1
Cn1c(-c2ccccc2)nn(C[NH+]2CC=C(c3ccccc3)CC2)c1=S c1ccc(cc1)[*:1] Cn1c(nn(C[NH+]2CC=C(CC2)c2ccccc2)c1=S)[*:1]
C/C=C/[C@@H]1OC2=C(C(=O)O[C@]2(C)O)[C@@H](O)[C@@H]1O CC=C[*:1] C[C@]1(O)OC(=O)C2=C1O[C@H]([C@@H](O)[C@@H]2O)[*:1]
CCC(=O)c1cccc(NC(=O)c2cn(C)nc2C(C)(C)C)c1 CCC(=O)[*:1] Cn1cc(C(=O)Nc2cccc(c2)[*:1])c(n1)C(C)(C)C
CCC(=O)c1cccc(NC(=O)c2cn(C)nc2C(C)(C)C)c1 CC(C)(C)[*:1] CCC(=O)c1cccc(c1)NC(=O)c1cn(C)nc1[*:1]
Cc1ccccc1OCC(=O)NCCc1nc2ccccc2s1 Cc1ccccc1[*:1] O=C(CO[*:1])NCCc1nc2ccccc2s1
CCc1nc(CC(=O)N(C)Cc2ncnn2C)cs1 Cn1ncnc1[*:1] CCc1nc(cs1)CC(=O)N(C)C[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C O=C([O-])[*:1] Cc1ccc(cc1C)S(=O)(=O)Nc1ccccc1[*:1]
Cc1ccc(/C=C/C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)o1 Cc1ccc(o1)[*:1] O=C(C=C[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
Cc1ccc(/C=C/C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)o1 Cc1ccc(C=C[*:1])o1 O=C(N1CC=C(CC1)c1c[nH]c2ccccc12)[*:1]
Cc1nn2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)nnc2c1-c1ccc(F)cc1 FC(F)(F)c1ccccc1[*:1] Cc1nn2c(C)c(nnc2c1-c1ccc(F)cc1)C(=O)N[*:1]
Cc1nn2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)nnc2c1-c1ccc(F)cc1 FC(F)(F)[*:1] Cc1nn2c(C)c(nnc2c1-c1ccc(F)cc1)C(=O)Nc1ccccc1[*:1]
Cc1nn2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)nnc2c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn2c(C)c(nnc2c1[*:1])C(=O)Nc1ccccc1C(F)(F)F
Cc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H](CNc1ncc(c(N)n1)[N+](=O)[O-])[*:1]
Cc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] Nc1nc(ncc1[N+](=O)[O-])NC[C@@H](N1CCOCC1)[*:1]
Cc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)N2CCOCC2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)[C@@H](CNc1ncc(c(N)n1)[*:1])N1CCOCC1
Cc1ccccc1C(=O)NNC(=O)Cn1cc(C(F)(F)F)ccc1=O FC(F)(F)[*:1] Cc1ccccc1C(=O)NNC(=O)Cn1cc(ccc1=O)[*:1]
Cc1ccccc1C(=O)NNC(=O)Cn1cc(C(F)(F)F)ccc1=O Cc1ccccc1[*:1] O=C(Cn1cc(ccc1=O)C(F)(F)F)NNC(=O)[*:1]
Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3CCC(=O)N3)CC2)c1 O=C1CC[C@@H](N1)[*:1] Cc1cccc(c1)N1CC[NH+](CCCCNC(=O)[*:1])CC1
Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3CCC(=O)N3)CC2)c1 Cc1cccc(c1)[*:1] O=C1CC[C@@H](N1)C(=O)NCCCC[NH+]1CCN(CC1)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)CNC(=O)c1ccc(cc1)[*:1]
COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)c(F)c1F c1cnc2nc(oc2c1)[*:1] COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(c2C)[*:1])c(F)c1F
Cc1cc2cc(C(=O)N(C)[C@H](C)c3ccon3)ccc2o1 c1cc(no1)[*:1] Cc1cc2cc(ccc2o1)C(=O)N(C)[C@H](C)[*:1]
O=C(O[C@H]1CCc2ccc(Cl)cc21)[C@@H]1C[C@@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(O[C@H]1CCc2ccc(Cl)cc21)[C@@H]1C[C@H]1[*:1]
Cc1sc2nc(CS[C@@H](C)C(=O)NC[C@H](C)c3ccccc3)[nH]c(=O)c2c1C C[C@H](c1ccccc1)[*:1] Cc1sc2nc(CS[C@@H](C)C(=O)NC[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CS[C@@H](C)C(=O)NC[C@H](C)c3ccccc3)[nH]c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2nc(CS[C@@H](C)C(=O)NC[C@H](C)[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CS[C@@H](C)C(=O)NC[C@H](C)c3ccccc3)[nH]c(=O)c2c1C C[C@@H](C[*:1])c1ccccc1 Cc1sc2nc(CS[C@@H](C)C(=O)N[*:1])[nH]c(=O)c2c1C
COc1ccccc1C1(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)CCOCC1 COc1ccccc1[*:1] O=C(C1CC1)N1CCc2ccc(cc21)NC(=O)C1(CCOCC1)[*:1]
COc1ccccc1C1(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)CCOCC1 C1CC1[*:1] COc1ccccc1C1(CCOCC1)C(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
CCN(CC)c1ccc(C(=O)O[C@H](C)c2nnc(C)o2)c(O)c1 CCN(CC)[*:1] Cc1nnc(o1)[C@@H](C)OC(=O)c1ccc(cc1O)[*:1]
CCN(CC)c1ccc(C(=O)O[C@H](C)c2nnc(C)o2)c(O)c1 Cc1nnc(o1)[*:1] CCN(CC)c1ccc(C(=O)O[C@H](C)[*:1])c(O)c1
CCO[C@@H](C)c1nc(C(=O)OCc2ccc(Cl)s2)cs1 Clc1ccc(s1)[*:1] CCO[C@@H](C)c1nc(cs1)C(=O)OC[*:1]
CCO[C@@H](C)c1nc(C(=O)OCc2ccc(Cl)s2)cs1 CCO[*:1] C[C@@H](c1nc(cs1)C(=O)OCc1ccc(Cl)s1)[*:1]
CCO[C@@H](C)c1nc(C(=O)OCc2ccc(Cl)s2)cs1 CCO[C@@H](C)[*:1] O=C(OCc1ccc(Cl)s1)c1csc(n1)[*:1]
COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)CC(C)(C)O CC(C)(O)C[*:1] COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)[*:1]
COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)CC(C)(C)O CC(C)(O)[*:1] COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)C[*:1]
O=C([C@@H]1CCCO1)N1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)C(=S)Nc1cccc(c1)[*:1]
COC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] COC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1[*:1]
COC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)[*:1] COC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1O[*:1]
COC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F COC(=O)[*:1] C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)[*:1]
COC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F COC(=O)[C@H](C)[*:1] O=C(N[*:1])[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F
O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)N[*:1]
COc1cccc(Nc2nnc(SC[C@@H](C)C(C)=O)s2)c1 CC(=O)[C@H](C)CS[*:1] COc1cccc(c1)Nc1nnc(s1)[*:1]
COc1cccc(Nc2nnc(SC[C@@H](C)C(C)=O)s2)c1 CC(=O)[*:1] COc1cccc(c1)Nc1nnc(SC[C@@H](C)[*:1])s1
CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 CCS(=O)(=O)[*:1] O=C(Nc1nc(cs1)-c1cc(Cl)ccc1Cl)c1ccccc1[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 Clc1ccc(Cl)c(c1)[*:1] CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(cs1)[*:1]
O=C(NCc1ccc(N2CCOCC2)[nH+]c1)Nc1ccncc1 C1CN(CCO1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])Nc1ccncc1
O=C(NCc1ccc(N2CCOCC2)[nH+]c1)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCOCC1)N[*:1]
Cc1cc(C)c(C(=O)NCCc2nc(-c3ccccn3)cs2)c(C)c1 c1ccc(nc1)[*:1] Cc1cc(C)c(C(=O)NCCc2nc(cs2)[*:1])c(C)c1
CCCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)s1 CCCS[*:1] Cc1cc(cc(C)c1Cl)O[C@@H](C)C(=O)Nc1nnc(s1)[*:1]
CCCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)s1 CCC[*:1] Cc1cc(cc(C)c1Cl)O[C@@H](C)C(=O)Nc1nnc(S[*:1])s1
O=C([O-])c1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1 C1CCCC(CCC1)[*:1] O=C([O-])c1ccc(cc1)[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2[*:1]
O=C([O-])c1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1 O=C([O-])[*:1] O=c1[nH]n(c2N=C(O)C[C@@H](c3ccc(cc3)[*:1])c21)C1CCCCCCC1
O=C([O-])c1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1 O=C([O-])c1ccc(cc1)[*:1] O=c1[nH]n(c2N=C(O)C[C@H](c21)[*:1])C1CCCCCCC1
CCc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)nc2)cc1 CCc1ccc(cc1)[*:1] C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)nc1)[*:1]
CCc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)nc2)cc1 Clc1ccc(cn1)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)CN(C)S(=O)(=O)[*:1]
Cc1nc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)sc1C Cc1nc(sc1C)[*:1] O=C(NC[*:1])N(Cc1ccco1)C[C@H]1CCCO1
Cc1nc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)sc1C Cc1nc(C[*:1])sc1C O=C(N[*:1])N(Cc1ccco1)C[C@H]1CCCO1
Cc1nc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)sc1C C1CO[C@H](C1)C[*:1] Cc1nc(CNC(=O)N(Cc2ccco2)[*:1])sc1C
Cc1nc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)sc1C c1coc(c1)[*:1] Cc1nc(CNC(=O)N(C[C@H]2CCCO2)C[*:1])sc1C
Cc1nc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)sc1C C1CO[C@H](C1)[*:1] Cc1nc(CNC(=O)N(Cc2ccco2)C[*:1])sc1C
Cc1nc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)sc1C c1coc(c1)C[*:1] Cc1nc(CNC(=O)N(C[C@H]2CCCO2)[*:1])sc1C
N#Cc1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 Clc1ccc(cc1)[*:1] N#Cc1cn(CC(=O)N[*:1])c2ccccc12
CC(C)[NH+](CCNS(=O)(=O)c1cc(F)ccc1F)C1CC1 CC(C)[*:1] O=S(=O)(NCC[NH+](C1CC1)[*:1])c1cc(F)ccc1F
CC(C)[NH+](CCNS(=O)(=O)c1cc(F)ccc1F)C1CC1 C1CC1[*:1] CC(C)[NH+](CCNS(=O)(=O)c1cc(F)ccc1F)[*:1]
Clc1ccc(/C=N/NC2=Cn3c(nc4ccccc43)NN2)cc1 Clc1ccc(cc1)[*:1] C1=C(NN=C[*:1])NNc2nc3ccccc3n21
CCCC(=O)NC[C@H]1CCCN(c2nc(C)nc3[nH]ccc23)C1 CCCC(=O)NC[*:1] Cc1nc(c2cc[nH]c2n1)N1CCC[C@@H](C1)[*:1]
CCCC(=O)NC[C@H]1CCCN(c2nc(C)nc3[nH]ccc23)C1 CCCC(=O)N[*:1] Cc1nc(c2cc[nH]c2n1)N1CCC[C@@H](C1)C[*:1]
CCCC(=O)NC[C@H]1CCCN(c2nc(C)nc3[nH]ccc23)C1 CCC[*:1] Cc1nc(c2cc[nH]c2n1)N1CCC[C@H](CNC(=O)[*:1])C1
CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)c1 CC(=O)N[*:1] C[C@H]([NH2+][C@H](C)c1cc2cc(Cl)ccc2o1)c1cccc(c1)[*:1]
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1C COC(=O)[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)[N-]c1cccc(c1C)[*:1]
O=C(CCc1ccccn1)N1CCc2cccc(F)c21 c1ccc(nc1)[*:1] O=C(CC[*:1])N1CCc2cccc(F)c21
CCc1cccc(S(=O)(=O)N2CCC(OC[C@H]3CCCCO3)CC2)c1 CCc1cccc(c1)[*:1] O=S(=O)(N1CCC(CC1)OC[C@H]1CCCCO1)[*:1]
COc1ccc(/C=N/N2C=Nc3c([nH]c4ccccc34)C2)cc1COc1ccccn1 c1ccc(nc1)O[*:1] COc1ccc(/C=N/N2C=Nc3c(C2)[nH]c2ccccc32)cc1C[*:1]
COc1ccc(/C=N/N2C=Nc3c([nH]c4ccccc34)C2)cc1COc1ccccn1 c1ccc(nc1)[*:1] COc1ccc(/C=N/N2C=Nc3c(C2)[nH]c2ccccc32)cc1CO[*:1]
COc1ccc(/C=N/N2C=Nc3c([nH]c4ccccc34)C2)cc1COc1ccccn1 c1ccc(nc1)OC[*:1] COc1ccc(/C=N/N2C=Nc3c(C2)[nH]c2ccccc32)cc1[*:1]
Cc1cc(-c2cn[nH]c2[C@@H]2CCCCN2Cc2cnc(C)nc2)on1 Cc1ncc(cn1)[*:1] Cc1cc(on1)-c1cn[nH]c1[C@@H]1CCCCN1C[*:1]
Cc1cc(-c2cn[nH]c2[C@@H]2CCCCN2Cc2cnc(C)nc2)on1 Cc1cc(on1)[*:1] Cc1ncc(cn1)CN1CCCC[C@H]1c1[nH]ncc1[*:1]
Cc1cc(-c2cn[nH]c2[C@@H]2CCCCN2Cc2cnc(C)nc2)on1 Cc1ncc(cn1)C[*:1] Cc1cc(on1)-c1cn[nH]c1[C@@H]1CCCCN1[*:1]
COc1ccc(C(C)(C)C)cc1N[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1N[C@@H](C)C(=O)Nc1ccc(cc1)[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1N[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 CC(C)(C)[*:1] COc1ccc(cc1N[C@@H](C)C(=O)Nc1ccc(cc1)NC(C)=O)[*:1]
O[C@@H](c1ccc(Cl)cc1)C1CCN(c2nc3ccccc3s2)CC1 Clc1ccc(cc1)[*:1] O[C@@H](C1CCN(CC1)c1nc2ccccc2s1)[*:1]
CCOCCCC(=O)N1CCN(C(C)(C)C[NH3+])CC1 CCOCCC[*:1] CC(C)(C[NH3+])N1CCN(CC1)C(=O)[*:1]
CCOCCCC(=O)N1CCN(C(C)(C)C[NH3+])CC1 CC(C)(C[NH3+])[*:1] CCOCCCC(=O)N1CCN(CC1)[*:1]
CCOCCCC(=O)N1CCN(C(C)(C)C[NH3+])CC1 CCOC[*:1] CC(C)(C[NH3+])N1CCN(CC1)C(=O)CC[*:1]
CCOCCCC(=O)N1CCN(C(C)(C)C[NH3+])CC1 CCO[*:1] CC(C)(C[NH3+])N1CCN(CC1)C(=O)CCC[*:1]
CCOCCCC(=O)N1CCN(C(C)(C)C[NH3+])CC1 CCOCC[*:1] CC(C)(C[NH3+])N1CCN(CC1)C(=O)C[*:1]
COCc1ccc([S@](=O)CC(=O)NCc2ccc(F)cc2)cc1 COC[*:1] O=C(C[S@@](=O)c1ccc(cc1)[*:1])NCc1ccc(F)cc1
COCc1ccc([S@](=O)CC(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COCc1ccc(cc1)[S@](=O)CC(=O)NC[*:1]
CCCOc1ccccc1[C@@H](C)Nc1nc(C)nc2c1CCN(C(C)=O)C2 CCC[*:1] CC(=O)N1CCc2c(C1)nc(C)nc2N[C@H](C)c1ccccc1O[*:1]
CCCOc1ccccc1[C@@H](C)Nc1nc(C)nc2c1CCN(C(C)=O)C2 CCCO[*:1] CC(=O)N1CCc2c(C1)nc(C)nc2N[C@H](C)c1ccccc1[*:1]
C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc[nH+]c1N1CCCC1 C1CCN(C1)[*:1] C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc[nH+]c1[*:1]
C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc[nH+]c1N1CCCC1 C[C@@H]1CCCC[C@@H]1O[*:1] O=C(NCC[*:1])Nc1ccc[nH+]c1N1CCCC1
CC(C)(C[NH+](CC1CCCCC1)C1CC1)S(C)(=O)=O C1CC1[*:1] CC(C)(C[NH+](CC1CCCCC1)[*:1])S(C)(=O)=O
CC(C)(C[NH+](CC1CCCCC1)C1CC1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(C[NH+](CC1CCCCC1)C1CC1)[*:1]
CC(C)(C[NH+](CC1CCCCC1)C1CC1)S(C)(=O)=O C1CCC(CC1)[*:1] CC(C)(C[NH+](C[*:1])C1CC1)S(C)(=O)=O
Cc1cccc(NC(=O)C(=O)NCc2nccn2CC(C)C)c1C Cc1cccc(c1C)[*:1] CC(C)Cn1ccnc1CNC(=O)C(=O)N[*:1]
Cc1cccc(NC(=O)C(=O)NCc2nccn2CC(C)C)c1C CC(C)[*:1] Cc1cccc(NC(=O)C(=O)NCc2nccn2C[*:1])c1C
Cc1cccc(NC(=O)C(=O)NCc2nccn2CC(C)C)c1C CC(C)C[*:1] Cc1cccc(NC(=O)C(=O)NCc2nccn2[*:1])c1C
C[C@H](CS(C)(=O)=O)N[C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 CS(=O)(=O)[*:1] C[C@H](C[*:1])N[C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1
C[C@H](CS(C)(=O)=O)N[C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 CS(=O)(=O)C[*:1] C[C@H](N[C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)[*:1]
NS(=O)(=O)c1cc(F)c(F)cc1Cl NS(=O)(=O)[*:1] Fc1cc(Cl)c(cc1F)[*:1]
CCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1C CCCNC(=O)C(=O)N[*:1] Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@@H]1C[*:1]
CCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1C Cc1cc(F)ccc1[*:1] CCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)[*:1]
CCCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1C CCC[*:1] Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@@H]1CNC(=O)C(=O)N[*:1]
CC[NH2+][C@@H]1CC(C)(C)Cc2nc(-c3ncc[nH]3)sc21 c1c[nH]c(n1)[*:1] CC[NH2+][C@@H]1CC(C)(C)Cc2nc(sc21)[*:1]
O=C(CSc1nnc(-c2ccc(O)cc2)n1C1CCCCC1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CSc1nnc(-c2ccc(O)cc2)n1C1CCCCC1)N[*:1]
O=C(CSc1nnc(-c2ccc(O)cc2)n1C1CCCCC1)Nc1cccc(F)c1 Oc1ccc(cc1)[*:1] O=C(CSc1nnc(n1C1CCCCC1)[*:1])Nc1cccc(F)c1
O=C(CSc1nnc(-c2ccc(O)cc2)n1C1CCCCC1)Nc1cccc(F)c1 O=C(Nc1cccc(F)c1)[*:1] Oc1ccc(cc1)-c1nnc(SC[*:1])n1C1CCCCC1
O=C(CSc1nnc(-c2ccc(O)cc2)n1C1CCCCC1)Nc1cccc(F)c1 C1CCC(CC1)[*:1] O=C(CSc1nnc(-c2ccc(O)cc2)n1[*:1])Nc1cccc(F)c1
CC(C)(C)SCC(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1 O=C(N1CCOCC1)[*:1] CC(C)(C)SCC(=O)NC[C@H](c1ccccc1)[*:1]
CC(C)(C)SCC(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)SCC(=O)NC[C@H](C(=O)N1CCOCC1)[*:1]
CC(C)(C)SCC(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1 CC(C)(C)SC[*:1] O=C([C@@H](CNC(=O)[*:1])c1ccccc1)N1CCOCC1
CC(C)(C)SCC(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1 CC(C)(C)S[*:1] O=C(C[*:1])NC[C@H](C(=O)N1CCOCC1)c1ccccc1
CC(C)(C)SCC(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1 CC(C)(C)[*:1] O=C(CS[*:1])NC[C@H](C(=O)N1CCOCC1)c1ccccc1
O=C(CCC(=O)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2)c1ccccc1 O=C(C[*:1])c1ccccc1 O=C(C[*:1])N1C[C@H]2CC[C@@H]1CN(C2)c1cnccn1
O=C(CCC(=O)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(CC[*:1])N1C[C@H]2CC[C@@H]1CN(C2)c1cnccn1
O=C(CCC(=O)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2)c1ccccc1 c1cnc(cn1)[*:1] O=C(CCC(=O)N1C[C@H]2CC[C@@H]1CN(C2)[*:1])c1ccccc1
O=C(CCC(=O)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N1C[C@H]2CC[C@@H]1CN(C2)c1cnccn1
Cc1c(C(=O)N(C)CC(=O)OC(C)(C)C)cnn1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N(C)CC(=O)OC(C)(C)C
Cc1c(C(=O)N(C)CC(=O)OC(C)(C)C)cnn1-c1ccc(Br)cc1 CC(C)(C)OC(=O)[*:1] Cc1c(cnn1-c1ccc(Br)cc1)C(=O)N(C)C[*:1]
Cc1c(C(=O)N(C)CC(=O)OC(C)(C)C)cnn1-c1ccc(Br)cc1 CC(C)(C)OC(=O)C[*:1] Cc1c(cnn1-c1ccc(Br)cc1)C(=O)N(C)[*:1]
Cc1c(C(=O)N(C)CC(=O)OC(C)(C)C)cnn1-c1ccc(Br)cc1 CC(C)(C)[*:1] Cc1c(cnn1-c1ccc(Br)cc1)C(=O)N(C)CC(=O)O[*:1]
O=C(CC1(O)CCCCC1)N1CC[C@@H](c2nnc(-c3cnccn3)o2)C1 c1cnc(cn1)[*:1] O=C(CC1(O)CCCCC1)N1CC[C@H](C1)c1nnc(o1)[*:1]
O=C(CC1(O)CCCCC1)N1CC[C@@H](c2nnc(-c3cnccn3)o2)C1 OC1(CCCCC1)[*:1] O=C(C[*:1])N1CC[C@H](C1)c1nnc(o1)-c1cnccn1
O=C(CC1(O)CCCCC1)N1CC[C@@H](c2nnc(-c3cnccn3)o2)C1 OC1(CCCCC1)C[*:1] O=C(N1CC[C@H](C1)c1nnc(o1)-c1cnccn1)[*:1]
Cn1cc(/C=C\C(=O)c2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cn1cc(/C=C\C(=O)c2cccc(F)c2)c(n1)-c1ccc(cc1)[*:1]
Cn1cc(/C=C\C(=O)c2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 Fc1cccc(c1)[*:1] Cn1cc(/C=C\C(=O)[*:1])c(n1)-c1ccc(cc1)[N+](=O)[O-]
C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccnc(c1)[*:1]
C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccnc(OC2CCC2)c1 CN(C)C(=O)C[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)OC1CCC1)[*:1]
C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccnc(OC2CCC2)c1 CN(C)C(=O)[*:1] C[C@@H](C[*:1])[NH2+]Cc1ccnc(c1)OC1CCC1
C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccnc(c1)O[*:1]
O=C1C[C@H](Nc2ccc(Br)c([N+](=O)[O-])c2)CCCN1 O=[N+]([O-])[*:1] O=C1C[C@@H](CCCN1)Nc1ccc(Br)c(c1)[*:1]
COC(=O)C1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 c1ccc(cc1)[*:1] COC(=O)C1CN(Cc2cnc3c(cnn3c2)[*:1])C1
COC(=O)C1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 COC(=O)C1CN(C1)[*:1] c1ccc(cc1)-c1cnn2cc(cnc12)C[*:1]
COC(=O)C1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 COC(=O)[*:1] c1ccc(cc1)-c1cnn2cc(cnc12)CN1CC(C1)[*:1]
COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(CC1)[*:1]
COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1 COCCn1nnnc1[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)[C@H](N1CCN(CC1)c1ccccc1F)[*:1]
COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1 COC[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)[C@@H](c1nnnn1C[*:1])N1CCN(CC1)c1ccccc1F
COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1 COCC[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)[C@@H](c1nnnn1[*:1])N1CCN(CC1)c1ccccc1F
N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1cccc(Br)c1 O=[N+]([O-])[*:1] N#C/C(=C/c1cc2OCOc2cc1[*:1])C(=O)Nc1cccc(Br)c1
N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] N#C/C(=C/c1cc2OCOc2cc1[N+](=O)[O-])C(=O)N[*:1]
COC(=O)c1ccc(F)c(NC(=O)NNc2ncccc2Cl)c1 Clc1cccnc1[*:1] COC(=O)c1ccc(F)c(c1)NC(=O)NN[*:1]
COC(=O)c1ccc(F)c(NC(=O)NNc2ncccc2Cl)c1 COC(=O)[*:1] O=C(NNc1ncccc1Cl)Nc1cc(ccc1F)[*:1]
NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 NS(=O)(=O)[*:1] O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(cc1)[*:1]
CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCn2c(nn(C)c2=O)C1 CC(C)[*:1] C[C@H](C(=O)Nc1ccccc1[*:1])N1CCn2c(C1)nn(C)c2=O
COc1ccccc1NC(=O)N1CCC(CNC(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] COc1ccccc1NC(=O)N1CCC(CC1)CNC(=O)[*:1]
COc1ccccc1NC(=O)N1CCC(CNC(=O)c2cccc(F)c2)CC1 COc1ccccc1[*:1] O=C(NCC1CCN(CC1)C(=O)N[*:1])c1cccc(F)c1
COc1cccc(CCCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 C1CC1[*:1] COc1cccc(c1)CCCNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
COc1cccc(CCCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 COc1cccc(c1)[*:1] O=C(NCCC[*:1])N[C@H]1CC(=O)N(C1)C1CC1
Cc1cc(C(=O)N2CCN(Cc3ccccn3)CC2)c2c(=O)[nH]n(C)c2n1 c1ccc(C[*:1])nc1 Cc1cc(C(=O)N2CCN(CC2)[*:1])c2c(=O)[nH]n(C)c2n1
Cc1cc(C(=O)N2CCN(Cc3ccccn3)CC2)c2c(=O)[nH]n(C)c2n1 c1ccc(nc1)[*:1] Cc1cc(C(=O)N2CCN(CC2)C[*:1])c2c(=O)[nH]n(C)c2n1
Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)c(C)n1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)N(CC2CC2)[*:1])c(C)n1
Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)c(C)n1 C1CC1C[*:1] Cc1ccc(C(=O)N(c2ccccc2)[*:1])c(C)n1
Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)c(C)n1 C1CC1[*:1] Cc1ccc(C(=O)N(C[*:1])c2ccccc2)c(C)n1
CC[C@@H]1CC(=O)N(Cc2ccc(C(=O)[O-])cn2)C1 O=C([O-])[*:1] CC[C@@H]1CC(=O)N(Cc2ccc(cn2)[*:1])C1
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl O=S(=O)(N1CCCC1)[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCC1)c1cc(ccc1Cl)[*:1]
COc1ccc(C(=O)N(C[C@H]2C=c3cccc(C)c3=[NH+]C2=O)c2cccc(C)c2)cc1OC Cc1cccc(c1)[*:1] COc1ccc(cc1OC)C(=O)N(C[C@H]1C=c2cccc(C)c2=[NH+]C1=O)[*:1]
COc1ccc(C(=O)N(C[C@H]2C=c3cccc(C)c3=[NH+]C2=O)c2cccc(C)c2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cccc(c1)N(C[C@H]1C=c2cccc(C)c2=[NH+]C1=O)C(=O)[*:1]
CCCc1nnc(SCC(=O)c2ccc(Br)cc2)n1N CCC[*:1] Nn1c(nnc1[*:1])SCC(=O)c1ccc(Br)cc1
O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1cccc(c1)[*:1]
O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1[*:1]
O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=c1c2c(n3ncnc3nc2ccn1-c1cccc(c1)C(F)(F)F)[*:1]
Cc1cccc(C)c1-n1ccn(Cc2nc(-c3cccc(F)c3)no2)c(=O)c1=O Fc1cccc(c1)[*:1] Cc1cccc(C)c1-n1ccn(Cc2nc(no2)[*:1])c(=O)c1=O
Cc1cccc(C)c1-n1ccn(Cc2nc(-c3cccc(F)c3)no2)c(=O)c1=O Cc1cccc(C)c1[*:1] O=c1c(=O)n(ccn1Cc1nc(no1)-c1cccc(F)c1)[*:1]
Cc1ccccc1OC[C@@H](O)CN1CCN(C(=O)[C@H]2CCCO2)CC1 Cc1ccccc1[*:1] O=C([C@H]1CCCO1)N1CCN(CC1)C[C@H](O)CO[*:1]
Cc1ccccc1OC[C@@H](O)CN1CCN(C(=O)[C@H]2CCCO2)CC1 Cc1ccccc1O[*:1] O=C([C@H]1CCCO1)N1CCN(CC1)C[C@H](O)C[*:1]
Cc1ccccc1OC[C@@H](O)CN1CCN(C(=O)[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] Cc1ccccc1OC[C@@H](O)CN1CCN(CC1)C(=O)[*:1]
C[C@@H]1CC(=O)N(c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] C[C@@H]1CC(=O)N(C1=O)c1ccc(NCc2ccccc2Cl)c(c1)[*:1]
C[C@@H]1CC(=O)N(c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O Clc1ccccc1C[*:1] C[C@@H]1CC(=O)N(C1=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
C[C@@H]1CC(=O)N(c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O Clc1ccccc1[*:1] C[C@@H]1CC(=O)N(C1=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
CC(C)C[C@@H]([NH3+])c1ccc(Cl)cc1 CC(C)C[*:1] [NH3+][C@@H](c1ccc(Cl)cc1)[*:1]
CC(C)C[C@@H]([NH3+])c1ccc(Cl)cc1 CC(C)[*:1] [NH3+][C@H](C[*:1])c1ccc(Cl)cc1
O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 O=S1(=O)CCN(CC1)C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1ncccc1C(F)(F)F
O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1CCCN(C1)c1ncccc1[*:1]
O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 O=S1(=O)CCN(CC1)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)c1ncccc1C(F)(F)F
COc1ccc([C@@H](NC(=O)CCc2cc(F)ccc2F)C2CCOCC2)cc1 Fc1ccc(F)c(c1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)CC[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)CCc2cc(F)ccc2F)C2CCOCC2)cc1 Fc1ccc(F)c(c1)C[*:1] COc1ccc(cc1)[C@@H](NC(=O)C[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)CCc2cc(F)ccc2F)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)CCc1cc(F)ccc1F)[*:1]
COc1ccc([C@@H](NC(=O)CCc2cc(F)ccc2F)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(CCc1cc(F)ccc1F)N[C@@H](C1CCOCC1)[*:1]
CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1Cl CS(=O)(=O)C[*:1] O=C(NC[*:1])C(=O)Nc1ccc(F)cc1Cl
CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1Cl CS(=O)(=O)CC[*:1] O=C(Nc1ccc(F)cc1Cl)C(=O)N[*:1]
CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1Cl CS(=O)(=O)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(F)cc1Cl
Cc1nc(COc2ccc(C[NH+]3CCCN(c4cccnn4)CC3)cc2)no1 Cc1nc(CO[*:1])no1 c1cnnc(c1)N1CCC[NH+](CC1)Cc1ccc(cc1)[*:1]
Cc1nc(COc2ccc(C[NH+]3CCCN(c4cccnn4)CC3)cc2)no1 Cc1nc(C[*:1])no1 c1cnnc(c1)N1CCC[NH+](CC1)Cc1ccc(cc1)O[*:1]
Cc1nc(COc2ccc(C[NH+]3CCCN(c4cccnn4)CC3)cc2)no1 c1cnnc(c1)[*:1] Cc1nc(COc2ccc(cc2)C[NH+]2CCCN(CC2)[*:1])no1
Cc1nc(COc2ccc(C[NH+]3CCCN(c4cccnn4)CC3)cc2)no1 Cc1nc(no1)[*:1] c1cnnc(c1)N1CCC[NH+](CC1)Cc1ccc(cc1)OC[*:1]
COc1ccc(NC(=O)CN(C)C(=O)c2cccc(N3CCCC3=O)c2)cc1 COc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)c1cccc(c1)N1CCCC1=O
COc1ccc(NC(=O)CN(C)C(=O)c2cccc(N3CCCC3=O)c2)cc1 O=C1CCCN1[*:1] COc1ccc(cc1)NC(=O)CN(C)C(=O)c1cccc(c1)[*:1]
C[C@@H](C(=O)N1CCc2ccccc21)[S@@](=O)Cc1ncc(Cl)n1C Cn1c(Cl)cnc1[*:1] C[C@@H](C(=O)N1CCc2ccccc21)[S@@](=O)C[*:1]
c1cc(C[NH+]2CCC(n3cc(C[NH+]4CCCC4)nn3)CC2)cs1 c1cc(cs1)[*:1] c1c(C[NH+]2CCCC2)nnn1C1CC[NH+](CC1)C[*:1]
c1cc(C[NH+]2CCC(n3cc(C[NH+]4CCCC4)nn3)CC2)cs1 c1cc(cs1)C[*:1] c1c(C[NH+]2CCCC2)nnn1C1CC[NH+](CC1)[*:1]
Cc1c(Br)cccc1S(=O)(=O)N(C)Cc1ccncc1 c1cc(ccn1)[*:1] Cc1c(Br)cccc1S(=O)(=O)N(C)C[*:1]
Cc1nc(C)c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)o1 Cc1nc(C)c(o1)[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCCC1)[*:1]
Cc1ccc(-c2nonc2NC(=O)c2ccc(Cl)cc2)cc1C Clc1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1nonc1NC(=O)[*:1]
CS[C@H]1CC[C@H](NC(=O)CCCNC(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)CCCNC(=O)[*:1]
O=C(CCCOc1ccccc1)N1CCC[C@@H](n2cncn2)C1 c1ccc(cc1)[*:1] O=C(CCCO[*:1])N1CCC[C@H](C1)n1cncn1
O=C(CCCOc1ccccc1)N1CCC[C@@H](n2cncn2)C1 c1ccc(cc1)O[*:1] O=C(CCC[*:1])N1CCC[C@H](C1)n1cncn1
O=C(CCCOc1ccccc1)N1CCC[C@@H](n2cncn2)C1 c1ncn(n1)[*:1] O=C(CCCOc1ccccc1)N1CCC[C@@H](C1)[*:1]
CC[C@@H](C)n1nccc1NC(=O)c1nnc2nc(C)cc(C)n12 CC[C@@H](C)[*:1] Cc1cc(C)n2c(nnc2n1)C(=O)Nc1ccnn1[*:1]
O=C(NCc1ccnc(OC2CCC2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(NCc1ccnc(c1)OC1CCC1)[C@H]1C[C@H]1[*:1]
O=C(NCc1ccnc(OC2CCC2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F C1CC(C1)[*:1] O=C(NCc1ccnc(c1)O[*:1])[C@H]1C[C@@H]1c1cc(F)ccc1F
O=C(NCc1ccnc(OC2CCC2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F C1CC(C1)O[*:1] O=C(NCc1ccnc(c1)[*:1])[C@H]1C[C@@H]1c1cc(F)ccc1F
CCn1nc(C)c(C[NH+](C)Cc2cccc(OC(F)(F)F)c2)c1C FC(F)(F)O[*:1] CCn1nc(C)c(C[NH+](C)Cc2cccc(c2)[*:1])c1C
CCn1nc(C)c(C[NH+](C)Cc2cccc(OC(F)(F)F)c2)c1C FC(F)(F)[*:1] CCn1nc(C)c(C[NH+](C)Cc2cccc(c2)O[*:1])c1C
CSCC[C@H](NS(=O)(=O)c1cccc2nsnc12)c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] CSCC[C@H](NS(=O)(=O)c1cccc2nsnc12)[*:1]
CSCC[C@H](NS(=O)(=O)c1cccc2nsnc12)c1nnc2ccccn12 c1cc(c2nsnc2c1)[*:1] CSCC[C@H](NS(=O)(=O)[*:1])c1nnc2ccccn12
CSCC[C@H](NS(=O)(=O)c1cccc2nsnc12)c1nnc2ccccn12 CSCC[*:1] O=S(=O)(N[C@H](c1nnc2ccccn12)[*:1])c1cccc2nsnc12
CSCC[C@H](NS(=O)(=O)c1cccc2nsnc12)c1nnc2ccccn12 CSC[*:1] O=S(=O)(N[C@@H](C[*:1])c1nnc2ccccn12)c1cccc2nsnc12
CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1I CC(C)[*:1] CC(C)c1cccc(c1NC(=O)c1ccccc1I)[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1I Ic1ccccc1[*:1] CC(C)c1cccc(c1NC(=O)[*:1])C(C)C
Cc1cc(C)n([C@@H]2CCN(c3ncc(F)c(N4CCOCC4)n3)C2)n1 Cc1cc(C)n(n1)[*:1] Fc1cnc(nc1N1CCOCC1)N1CC[C@H](C1)[*:1]
Cc1cc(C)n([C@@H]2CCN(c3ncc(F)c(N4CCOCC4)n3)C2)n1 C1CN(CCO1)[*:1] Cc1cc(C)n(n1)[C@@H]1CCN(C1)c1ncc(F)c(n1)[*:1]
CCC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 CCC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(F)cc1
CCOC(=O)c1sc([C@H](C)NC(=O)Nc2cccc(C)c2)nc1C Cc1cccc(c1)[*:1] CCOC(=O)c1sc(nc1C)[C@H](C)NC(=O)N[*:1]
CCOC(=O)c1sc([C@H](C)NC(=O)Nc2cccc(C)c2)nc1C CCOC(=O)[*:1] Cc1cccc(c1)NC(=O)N[C@@H](C)c1nc(C)c(s1)[*:1]
O=C(Cc1csc(-c2ccccc2)n1)OCC(F)(F)F FC(F)(F)C[*:1] O=C(Cc1csc(n1)-c1ccccc1)O[*:1]
O=C(Cc1csc(-c2ccccc2)n1)OCC(F)(F)F FC(F)(F)[*:1] O=C(Cc1csc(n1)-c1ccccc1)OC[*:1]
O=C(Cc1csc(-c2ccccc2)n1)OCC(F)(F)F c1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])OCC(F)(F)F
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(F)cccc3Cl)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CN1C(=O)S/C(=C/c2c(F)cccc2Cl)C1=O)N[*:1]
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(F)cccc3Cl)C2=O)cc1 Fc1cccc(Cl)c1[*:1] Cc1ccc(cc1)NC(=O)CN1C(=O)SC(=C[*:1])C1=O
C[C@H]1CCc2c(C(=O)Nc3ccccc3)csc2C1 c1ccc(cc1)[*:1] C[C@H]1CCc2c(csc2C1)C(=O)N[*:1]
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C#N O=C([O-])[*:1] Cc1c(F)cc(cc1S(=O)(=O)[N-]C#N)[*:1]
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2Cl)n1C[C@H]1CCCO1 Cc1occc1[*:1] O=C(CSc1nnc(n1C[C@H]1CCCO1)[*:1])Nc1ccccc1Cl
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2Cl)n1C[C@H]1CCCO1 Clc1ccccc1[*:1] Cc1occc1-c1nnc(SCC(=O)N[*:1])n1C[C@H]1CCCO1
CC(=O)Nc1cccc(N[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])N[C@H](C)C(=O)NC[C@H](C)c1ccccc1
CC(=O)Nc1cccc(N[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1C c1ccc(cc1)[*:1] CC(=O)Nc1cccc(N[C@H](C)C(=O)NC[C@H](C)[*:1])c1C
CC(=O)Nc1cccc(N[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1C C[C@H](c1ccccc1)[*:1] CC(=O)Nc1cccc(N[C@H](C)C(=O)NC[*:1])c1C
CC(C)[C@H](NC(=O)CS[C@H]1N=NNN1c1ccccc1F)C1[NH+]=c2ccccc2=[NH+]1 CC(C)[*:1] O=C(CS[C@H]1N=NNN1c1ccccc1F)N[C@H](C1[NH+]=c2ccccc2=[NH+]1)[*:1]
CC(C)[C@H](NC(=O)CS[C@H]1N=NNN1c1ccccc1F)C1[NH+]=c2ccccc2=[NH+]1 Fc1ccccc1[*:1] CC(C)[C@H](NC(=O)CS[C@H]1N=NNN1[*:1])C1[NH+]=c2ccccc2=[NH+]1
Cc1cccc2c(=O)n(CCC(=O)N3CCc4sccc4[C@@H]3c3cccs3)cnc12 c1csc(c1)[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)N1CCc2sccc2[C@H]1[*:1]
c1coc(-c2nn3c(-c4ccncc4)nnc3s2)c1 c1cc(ccn1)[*:1] c1coc(c1)-c1nn2c(nnc2s1)[*:1]
c1coc(-c2nn3c(-c4ccncc4)nnc3s2)c1 c1coc(c1)[*:1] c1cc(ccn1)-c1nnc2sc(nn12)[*:1]
CCn1ccnc(N2CCC([C@H](O)C(F)(F)F)CC2)c1=O O[C@H](C(F)(F)F)[*:1] CCn1ccnc(c1=O)N1CCC(CC1)[*:1]
CCn1ccnc(N2CCC([C@H](O)C(F)(F)F)CC2)c1=O FC(F)(F)[*:1] CCn1ccnc(c1=O)N1CCC(CC1)[C@H](O)[*:1]
COCCN1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1=O Clc1ccc(cc1)[*:1] COCCN1CCN(CC1=O)C(=O)NC[C@@H]([NH+](C)C)[*:1]
COCCN1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1=O COC[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCN(C[*:1])C(=O)C1)c1ccc(Cl)cc1
COCCN1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1=O COCC[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)C1)[*:1])c1ccc(Cl)cc1
NC(=O)[C@H](c1ccccc1)N1CCCN(CC(F)F)CC1 FC(F)C[*:1] NC(=O)[C@H](c1ccccc1)N1CCCN(CC1)[*:1]
NC(=O)[C@H](c1ccccc1)N1CCCN(CC(F)F)CC1 NC(=O)[*:1] FC(F)CN1CCCN(CC1)[C@@H](c1ccccc1)[*:1]
NC(=O)[C@H](c1ccccc1)N1CCCN(CC(F)F)CC1 FC(F)[*:1] NC(=O)[C@H](c1ccccc1)N1CCCN(CC1)C[*:1]
NC(=O)[C@H](c1ccccc1)N1CCCN(CC(F)F)CC1 c1ccc(cc1)[*:1] NC(=O)[C@H](N1CCCN(CC1)CC(F)F)[*:1]
C[C@H](NC(=O)CCSc1nnc(C(F)(F)F)n1N)c1ccccc1 C[C@H](c1ccccc1)[*:1] Nn1c(nnc1C(F)(F)F)SCCC(=O)N[*:1]
C[C@H](NC(=O)CCSc1nnc(C(F)(F)F)n1N)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CCSc1nnc(n1N)C(F)(F)F)[*:1]
C[C@H](NC(=O)CCSc1nnc(C(F)(F)F)n1N)c1ccccc1 FC(F)(F)[*:1] C[C@H](NC(=O)CCSc1nnc(n1N)[*:1])c1ccccc1
O=C([O-])[C@H]1C[C@H](O)CN1C(=O)/C=C/c1c(F)cccc1Cl O=C([O-])[*:1] O=C(/C=C/c1c(F)cccc1Cl)N1C[C@@H](O)C[C@@H]1[*:1]
COc1ccc2c(c1)c1nc(C)sc1n2CCN1CCOCC1 C1CN(CCO1)[*:1] COc1ccc2c(c1)c1nc(C)sc1n2CC[*:1]
COc1ccc2c(c1)c1nc(C)sc1n2CCN1CCOCC1 C1CN(CCO1)C[*:1] COc1ccc2c(c1)c1nc(C)sc1n2C[*:1]
CC(=O)Nc1ccc(NC(=O)NC[C@H]2C[C@]23CCc2ccccc23)cc1 CC(=O)N[*:1] O=C(NC[C@H]1C[C@]12CCc1ccccc12)Nc1ccc(cc1)[*:1]
CCn1cc[nH+]c1C[C@@H](O)C[NH2+]C(C)(C)C CC(C)(C)[*:1] CCn1cc[nH+]c1C[C@@H](O)C[NH2+][*:1]
CCn1cc[nH+]c1C[C@@H](O)C[NH2+]C(C)(C)C CC(C)(C)[NH2+][*:1] CCn1cc[nH+]c1C[C@@H](O)C[*:1]
CCC(CC)N(CC(C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 CC(C)[*:1] CCC(CC)N(C[*:1])C(=O)[C@H]1CC[C@@H]([NH3+])C1
CCC(CC)N(CC(C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 CCC(CC)[*:1] CC(C)CN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)[*:1]
CCC(CC)N(CC(C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 CC(C)C[*:1] CCC(CC)N(C(=O)[C@H]1CC[C@@H]([NH3+])C1)[*:1]
CCn1nc(C)c2nnn(Cc3cccc(Cl)c3)c(=O)c21 Clc1cccc(c1)[*:1] CCn1nc(C)c2nnn(C[*:1])c(=O)c21
CCc1nc([C@@H]2CCCN(C(=O)c3csc(NC(C)=O)n3)C2)no1 CCc1nc(no1)[*:1] CC(=O)Nc1nc(cs1)C(=O)N1CCC[C@H](C1)[*:1]
CCc1nc([C@@H]2CCCN(C(=O)c3csc(NC(C)=O)n3)C2)no1 CC(=O)N[*:1] CCc1nc(no1)[C@@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
O=C(c1ccc(F)cc1F)N(CC(F)(F)F)c1ccccn1 c1ccc(nc1)[*:1] O=C(c1ccc(F)cc1F)N(CC(F)(F)F)[*:1]
O=C(c1ccc(F)cc1F)N(CC(F)(F)F)c1ccccn1 FC(F)(F)C[*:1] O=C(c1ccc(F)cc1F)N(c1ccccn1)[*:1]
O=C(c1ccc(F)cc1F)N(CC(F)(F)F)c1ccccn1 FC(F)(F)[*:1] O=C(c1ccc(F)cc1F)N(C[*:1])c1ccccn1
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)cc1 CCO[*:1] Cc1cc(ccc1C(=O)N(C)C)NS(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)cc1 CN(C)C(=O)[*:1] CCOc1ccc(cc1)S(=O)(=O)Nc1ccc(c(C)c1)[*:1]
Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)C1 c1cc(ccn1)[*:1] Nc1cc2ccccc2nc1[C@@H]1CCCN(C1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)C1 c1cc(ccn1)C[*:1] Nc1cc2ccccc2nc1[C@@H]1CCCN(C1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cc2ccsc2n1Cc1ccccc1F Fc1ccccc1[*:1] O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cc2ccsc2n1C[*:1]
O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cc2ccsc2n1Cc1ccccc1F Fc1ccccc1C[*:1] O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cc2ccsc2n1[*:1]
Cc1noc(C2CC[NH+](CC(=O)NNC(=O)c3cccs3)CC2)n1 Cc1noc(n1)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])NNC(=O)c1cccs1
Cc1noc(C2CC[NH+](CC(=O)NNC(=O)c3cccs3)CC2)n1 c1csc(c1)[*:1] Cc1noc(n1)C1CC[NH+](CC1)CC(=O)NNC(=O)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1F Cc1ccc(cc1F)[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1F C1CCC(CC1)[*:1] Cc1ccc(cc1F)S(=O)(=O)[N-]c1ccc(cc1)S(=O)(=O)N(C)[*:1]
CCCCn1nc(C(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2c1=O Brc1ccc(cc1)[*:1] CCCCn1nc(C(=O)NNC(=O)[*:1])c2ccccc2c1=O
CCCCn1nc(C(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2c1=O CCC[*:1] O=C(NNC(=O)c1nn(C[*:1])c(=O)c2ccccc12)c1ccc(Br)cc1
CCCCn1nc(C(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2c1=O CCCC[*:1] O=C(NNC(=O)c1nn(c(=O)c2ccccc12)[*:1])c1ccc(Br)cc1
C/C=C/CS(=O)(=O)CC(=O)Nc1cccc(Cl)c1C CC=C[*:1] Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)C[*:1]
C/C=C/CS(=O)(=O)CC(=O)Nc1cccc(Cl)c1C C/C=C/C[*:1] Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)[*:1]
C[C@@H](c1nccs1)N(C)C(=O)c1cccc(NC(=O)C2CCCC2)c1 O=C(N[*:1])C1CCCC1 C[C@@H](c1nccs1)N(C)C(=O)c1cccc(c1)[*:1]
C[C@@H](c1nccs1)N(C)C(=O)c1cccc(NC(=O)C2CCCC2)c1 C1CCC(C1)[*:1] C[C@@H](c1nccs1)N(C)C(=O)c1cccc(c1)NC(=O)[*:1]
C[C@@H](c1nccs1)N(C)C(=O)c1cccc(NC(=O)C2CCCC2)c1 c1csc(n1)[*:1] C[C@@H](N(C)C(=O)c1cccc(c1)NC(=O)C1CCCC1)[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)c2c(CC)noc2C)C1 CCNC(=O)[*:1] CCc1noc(C)c1C(=O)N1CCC[C@@H](C1)[*:1]
CN(C)/C=C(/C#N)C(=O)Nc1cccc(F)c1 CN(C)[*:1] N#CC(=C[*:1])C(=O)Nc1cccc(F)c1
O=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1cccs1 c1csc(c1)[*:1] O=C(CSc1ccc(nn1)-c1ccc(F)cc1)[*:1]
O=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(CSc1ccc(nn1)[*:1])c1cccs1
O=C(CSc1ccc(-c2ccc(F)cc2)nn1)c1cccs1 O=C(c1cccs1)[*:1] Fc1ccc(cc1)-c1ccc(nn1)SC[*:1]
Cc1cc([C@@H](C)NC(=O)C(=O)Nc2cccnc2N2CCOCC2)c(C)o1 C1CN(CCO1)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)C(=O)Nc1cccnc1[*:1]
Cc1cc([C@@H](C)NC(=O)C(=O)Nc2cccnc2N2CCOCC2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccnc1N1CCOCC1)[*:1]
CS(=O)(=O)c1ccc(-c2nnn(CC(=O)NC3CCCC3)n2)cc1 C1CCC(C1)[*:1] CS(=O)(=O)c1ccc(cc1)-c1nnn(CC(=O)N[*:1])n1
CS(=O)(=O)c1ccc(-c2nnn(CC(=O)NC3CCCC3)n2)cc1 O=C(NC1CCCC1)[*:1] CS(=O)(=O)c1ccc(cc1)-c1nnn(C[*:1])n1
CS(=O)(=O)c1ccc(-c2nnn(CC(=O)NC3CCCC3)n2)cc1 CS(=O)(=O)[*:1] O=C(Cn1nnc(n1)-c1ccc(cc1)[*:1])NC1CCCC1
Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2C(=O)NC[*:1])n(C)c1=O
Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)CNC(=O)[*:1] Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2[*:1])n(C)c1=O
Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)C[*:1] Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2C(=O)N[*:1])n(C)c1=O
Cc1nc(C)c([C@@H](C)NC(=O)Cn2ccc(=O)c3ccccc32)s1 Cc1nc(C)c(s1)[*:1] C[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)[*:1]
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCC(=O)N2CCC(C)CC2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)N1C(=O)C(=C[*:1])N=C1SCC(=O)N1CCC(C)CC1
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCC(=O)N2CCC(C)CC2)cc1 CC1CCN(CC1)C(=O)[*:1] Cc1ccc(cc1)N1C(=O)/C(=C/c2ccc3OCOc3c2)N=C1SC[*:1]
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCC(=O)N2CCC(C)CC2)cc1 CC1CCN(CC1)C(=O)C[*:1] Cc1ccc(cc1)N1C(=O)/C(=C/c2ccc3OCOc3c2)N=C1S[*:1]
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCC(=O)N2CCC(C)CC2)cc1 Cc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)CSC1=N/C(=C\c2ccc3OCOc3c2)C(=O)N1[*:1]
Cc1ccc(C(=O)N2CCCCC[C@H]2c2cccn2C)cc1 Cn1cccc1[*:1] Cc1ccc(cc1)C(=O)N1CCCCC[C@@H]1[*:1]
Cc1ccc(C(=O)N2CCCCC[C@H]2c2cccn2C)cc1 Cc1ccc(cc1)[*:1] Cn1cccc1[C@@H]1CCCCCN1C(=O)[*:1]
CCOC(=O)c1cnc2ccc(Cl)nc2c1Cl CCOC(=O)[*:1] Clc1ccc2ncc(c(Cl)c2n1)[*:1]
Cc1nc(NCC(C)(C)CCO)nc(C)c1CC(C)C OCC[*:1] Cc1nc(nc(C)c1CC(C)C)NCC(C)(C)[*:1]
Cc1nc(NCC(C)(C)CCO)nc(C)c1CC(C)C CC(C)C[*:1] Cc1nc(nc(C)c1[*:1])NCC(C)(C)CCO
Cc1nc(NCC(C)(C)CCO)nc(C)c1CC(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[*:1])NCC(C)(C)CCO
Cc1nc(NCC(C)(C)CCO)nc(C)c1CC(C)C CC(C)(CCO)[*:1] Cc1nc(nc(C)c1CC(C)C)NC[*:1]
CCOc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 CCO[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1[*:1]
CCOc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] CCOc1ccccc1[C@@H](C)[NH2+]C1CCN(CC1)C(=O)N[*:1]
CCOc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 CCOc1ccccc1[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)NC1CCCCC1)[*:1]
O=C1CCC(C(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)=NN1 Clc1ccc(cc1)S[*:1] O=C1CCC(=NN1)C(=O)OCC(=O)Nc1ccccc1[*:1]
O=C1CCC(C(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)=NN1 Clc1ccc(cc1)[*:1] O=C1CCC(=NN1)C(=O)OCC(=O)Nc1ccccc1S[*:1]
CCC1(CNC(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)CC1 CCC1(CC1)[*:1] Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)NC[*:1]
CCC1(CNC(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)CC1 Cc1ccc(nc1)[*:1] CCC1(CC1)CNC(=O)N1CCC(CC1)C(=O)N[*:1]
CCC1(CNC(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)CC1 CCC1(CC1)C[*:1] Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)N[*:1]
Clc1ccc([C@@H]([C@@H](c2ccccc2)c2ccncc2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Clc1ccc(cc1)[C@@H]([C@@H](c1ccccc1)c1ccncc1)[*:1]
Clc1ccc([C@@H]([C@@H](c2ccccc2)c2ccncc2)N2CCOCC2)cc1 c1ccc(cc1)[*:1] Clc1ccc(cc1)[C@@H]([C@@H](c1ccncc1)[*:1])N1CCOCC1
Clc1ccc([C@@H]([C@@H](c2ccccc2)c2ccncc2)N2CCOCC2)cc1 c1cc(ccn1)[*:1] Clc1ccc(cc1)[C@@H]([C@@H](c1ccccc1)[*:1])N1CCOCC1
Clc1ccc([C@@H]([C@@H](c2ccccc2)c2ccncc2)N2CCOCC2)cc1 Clc1ccc(cc1)[*:1] c1ccc(cc1)[C@@H](c1ccncc1)[C@@H](N1CCOCC1)[*:1]
CCN(C)c1cccc(NC(=O)C(=O)NCCc2ccc(C)nc2)c1 Cc1ccc(cn1)[*:1] CCN(C)c1cccc(c1)NC(=O)C(=O)NCC[*:1]
CCN(C)c1cccc(NC(=O)C(=O)NCCc2ccc(C)nc2)c1 CCN(C)[*:1] Cc1ccc(cn1)CCNC(=O)C(=O)Nc1cccc(c1)[*:1]
CCN(C)c1cccc(NC(=O)C(=O)NCCc2ccc(C)nc2)c1 Cc1ccc(cn1)C[*:1] CCN(C)c1cccc(c1)NC(=O)C(=O)NC[*:1]
Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCC(N)=O)cc2)c(C)s1 NC(=O)CO[*:1] Cc1cc(c(C)s1)[C@@H](C)[NH2+]Cc1ccc(cc1)[*:1]
Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCC(N)=O)cc2)c(C)s1 NC(=O)[*:1] Cc1cc(c(C)s1)[C@@H](C)[NH2+]Cc1ccc(cc1)OC[*:1]
Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCC(N)=O)cc2)c(C)s1 NC(=O)C[*:1] Cc1cc(c(C)s1)[C@@H](C)[NH2+]Cc1ccc(cc1)O[*:1]
Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCC(N)=O)cc2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)OCC(N)=O)[*:1]
COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C)cc1C COC(=O)[*:1] CC1NC(=S)N[C@H](C=1[*:1])c1ccc(C)cc1C
O=C(Cc1cc(F)ccc1F)Nc1ccc(C(=O)N2CCCC2)cc1 Fc1ccc(F)c(c1)[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)N1CCCC1
O=C(Cc1cc(F)ccc1F)Nc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] O=C(Cc1cc(F)ccc1F)Nc1ccc(cc1)[*:1]
CCc1cccc(OCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 CCc1cccc(c1)[*:1] Cc1cc(ccc1N1CCCC1=O)NC(=O)CO[*:1]
CCc1cccc(OCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 O=C1CCCN1[*:1] CCc1cccc(c1)OCC(=O)Nc1ccc(c(C)c1)[*:1]
O=C(Nc1cccc(Cn2cc(Br)cn2)c1)c1nc2ncccn2n1 Brc1cnn(c1)[*:1] O=C(Nc1cccc(c1)C[*:1])c1nc2ncccn2n1
O=C(Nc1cccc(Cn2cc(Br)cn2)c1)c1nc2ncccn2n1 Brc1cnn(c1)C[*:1] O=C(Nc1cccc(c1)[*:1])c1nc2ncccn2n1
CS(=O)(=O)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 C1CC(CCO1)[*:1] CS(=O)(=O)N1CC[C@]2(CCCN(C2=O)[*:1])C1
O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 c1c[nH]c(C[*:1])n1 O=C(N[C@@H](c1ccccc1)[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1
O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 O=S(=O)(N1CCCCCC1)[*:1] O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(Cl)c(c1)[*:1]
O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 c1c[nH]c(n1)[*:1] O=C(N[C@@H](C[*:1])c1ccccc1)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1
O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 c1ccc(cc1)[*:1] O=C(N[C@@H](Cc1ncc[nH]1)[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1
Cc1nc(N2CCO[C@H](C)C2)nc(C)c1CC(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[*:1])N1CCO[C@H](C)C1
Cc1nc(N2CCO[C@H](C)C2)nc(C)c1CC(C)C CC(C)C[*:1] Cc1nc(nc(C)c1[*:1])N1CCO[C@H](C)C1
CCCC(=O)NCC(=O)N1CCC[C@H]1CC(=O)c1ccccc1 CCCC(=O)N[*:1] O=C(C[C@@H]1CCCN1C(=O)C[*:1])c1ccccc1
CCCC(=O)NCC(=O)N1CCC[C@H]1CC(=O)c1ccccc1 CCC[*:1] O=C(C[C@@H]1CCCN1C(=O)CNC(=O)[*:1])c1ccccc1
CCCC(=O)NCC(=O)N1CCC[C@H]1CC(=O)c1ccccc1 CCCC(=O)NC[*:1] O=C(C[C@@H]1CCCN1C(=O)[*:1])c1ccccc1
CCCC(=O)NCC(=O)N1CCC[C@H]1CC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCCC(=O)NCC(=O)N1CCC[C@H]1CC(=O)[*:1]
Cc1onc(-c2ccncn2)c1C(=O)Nc1cccc(CC(=O)N(C)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1onc(-c2ccncn2)c1C(=O)Nc1cccc(c1)CC(=O)N(C)[*:1]
Cc1onc(-c2ccncn2)c1C(=O)Nc1cccc(CC(=O)N(C)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1onc(-c2ccncn2)c1C(=O)Nc1cccc(c1)CC(=O)N(C)C[*:1]
Cc1onc(-c2ccncn2)c1C(=O)Nc1cccc(CC(=O)N(C)Cc2ccccc2)c1 c1cc(ncn1)[*:1] Cc1onc(c1C(=O)Nc1cccc(c1)CC(=O)N(C)Cc1ccccc1)[*:1]
Cc1onc(-c2ccncn2)c1C(=O)Nc1cccc(CC(=O)N(C)Cc2ccccc2)c1 CN(Cc1ccccc1)C(=O)[*:1] Cc1onc(-c2ccncn2)c1C(=O)Nc1cccc(c1)C[*:1]
CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
CN(C)C(=O)Sc1cccc(Cn2c(=O)sc3ccccc32)c1 CN(C)C(=O)S[*:1] O=c1sc2ccccc2n1Cc1cccc(c1)[*:1]
CC(C)[NH+](C)CC(=O)N(C)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)[NH+](C)CC(=O)N(C)C1CCN(CC1)[*:1]
CC(C)[NH+](C)CC(=O)N(C)C1CCN(c2cccc(F)c2)CC1 CC(C)[*:1] CN(C(=O)C[NH+](C)[*:1])C1CCN(CC1)c1cccc(F)c1
Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)c3cccc(C)c3C)cc2c1 c1cc(ccn1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)[*:1])c1cccc(C)c1C
Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)c3cccc(C)c3C)cc2c1 Cc1cccc(c1C)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)c1ccncc1)[*:1]
CCOc1c(F)cccc1C(=O)Nc1nc(COC)cs1 CCO[*:1] COCc1csc(n1)NC(=O)c1cccc(F)c1[*:1]
CCOc1c(F)cccc1C(=O)Nc1nc(COC)cs1 COC[*:1] CCOc1c(F)cccc1C(=O)Nc1nc(cs1)[*:1]
C[S@](=O)Cc1cccc(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c1 CC(C)(C)C[*:1] C[S@](=O)Cc1cccc(c1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
C[S@](=O)Cc1cccc(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c1 CC(C)(C)[*:1] C[S@](=O)Cc1cccc(c1)C(=O)N[C@H](C[*:1])c1ccc(F)cc1
C[S@](=O)Cc1cccc(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c1 C[S@](=O)C[*:1] CC(C)(C)C[C@@H](NC(=O)c1cccc(c1)[*:1])c1ccc(F)cc1
C[S@](=O)Cc1cccc(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] C[S@](=O)Cc1cccc(c1)C(=O)N[C@H](CC(C)(C)C)[*:1]
C[C@@H](Sc1ccccn1)C(=O)Nc1nnc(C(F)(F)F)s1 c1ccc(nc1)S[*:1] C[C@@H](C(=O)Nc1nnc(s1)C(F)(F)F)[*:1]
C[C@@H](Sc1ccccn1)C(=O)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] C[C@@H](Sc1ccccn1)C(=O)Nc1nnc(s1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)Nc1nnc(C(F)(F)F)s1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1nnc(s1)C(F)(F)F
Cc1nccnc1-c1cccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c1 CC(C)(C)[*:1] Cc1nccnc1-c1cccc(c1)C1(C#N)CCN(CC1)C(=O)O[*:1]
Cc1nccnc1-c1cccc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c1 Cc1nccnc1[*:1] CC(C)(C)OC(=O)N1CCC(C#N)(CC1)c1cccc(c1)[*:1]
C[C@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)C1CCC1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)c1cn(nn1)[*:1])C1CCC1
C[C@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)C1CCC1 C1CC(C1)[*:1] C[C@H]([NH2+][C@H](C)c1cn(nn1)-c1ccccc1)[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1Cl C[C@H](O)CNS(=O)(=O)[*:1] Cc1ccc(cc1Cl)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1Cl Cc1ccc(cc1Cl)[*:1] C[C@H](O)CNS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
O=C1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(F)cc2)N1 O=C1CC[C@@H](N1)[*:1] O=C(N1CCC[C@@H]1c1ccc(F)cc1)[*:1]
C[C@@H]1CN(C2CCN(C(=O)[C@@H]3CCO[C@@H]3C)CC2)CCO1 C[C@@H]1CN(CCO1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC(CC1)[*:1]
O=C(NCc1cnn(-c2cccc(F)c2)c1)[C@H](c1cccnc1)N1CCCC1 c1cncc(c1)[*:1] O=C(NCc1cnn(c1)-c1cccc(F)c1)[C@H](N1CCCC1)[*:1]
O=C(NCc1cnn(-c2cccc(F)c2)c1)[C@H](c1cccnc1)N1CCCC1 C1CCN(C1)[*:1] O=C(NCc1cnn(c1)-c1cccc(F)c1)[C@H](c1cccnc1)[*:1]
O=C(NCc1cnn(-c2cccc(F)c2)c1)[C@H](c1cccnc1)N1CCCC1 Fc1cccc(c1)[*:1] O=C(NCc1cnn(c1)[*:1])[C@H](c1cccnc1)N1CCCC1
O=C(NCc1ccc(-n2ccnc2)nc1)NOC1CCCC1 c1cn(cn1)[*:1] O=C(NCc1ccc(nc1)[*:1])NOC1CCCC1
O=C(NCc1ccc(-n2ccnc2)nc1)NOC1CCCC1 C1CCC(C1)[*:1] O=C(NCc1ccc(nc1)-n1ccnc1)NO[*:1]
CCCn1nnnc1NCc1ccc(-c2ccc(OC)c(Cl)c2)o1 CCC[*:1] COc1ccc(cc1Cl)-c1ccc(CNc2nnnn2[*:1])o1
CCCn1nnnc1NCc1ccc(-c2ccc(OC)c(Cl)c2)o1 CCCn1nnnc1[*:1] COc1ccc(cc1Cl)-c1ccc(CN[*:1])o1
Cc1n[nH]c(SCC(=O)NC[C@H](C)Sc2ccccc2)n1 c1ccc(cc1)S[*:1] Cc1n[nH]c(n1)SCC(=O)NC[C@H](C)[*:1]
Cc1n[nH]c(SCC(=O)NC[C@H](C)Sc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1n[nH]c(n1)SCC(=O)NC[C@H](C)S[*:1]
Cc1n[nH]c(SCC(=O)NC[C@H](C)Sc2ccccc2)n1 Cc1n[nH]c(n1)[*:1] C[C@@H](CNC(=O)CS[*:1])Sc1ccccc1
Cc1n[nH]c(SCC(=O)NC[C@H](C)Sc2ccccc2)n1 Cc1n[nH]c(n1)S[*:1] C[C@@H](CNC(=O)C[*:1])Sc1ccccc1
Cc1nc(C2CCN(C(=O)N[C@@H]3CCc4ccccc4C3)CC2)no1 Cc1nc(no1)[*:1] O=C(N[C@@H]1CCc2ccccc2C1)N1CCC(CC1)[*:1]
CC(=O)Nc1nc(COC(=O)c2cc(F)ccc2Br)cs1 CC(=O)N[*:1] O=C(OCc1csc(n1)[*:1])c1cc(F)ccc1Br
C[C@H](NC(=O)CN1c2ccccc2C[C@@H]1C)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H]1Cc2ccccc2N1CC(=O)N[C@@H](C)[*:1]
CCc1nn(C)cc1C(=O)N1CC[C@@](C)(C(=O)OC)C1 COC(=O)[*:1] CCc1nn(C)cc1C(=O)N1CC[C@@](C)(C1)[*:1]
CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1cccc(Cl)c1 CC(C)[*:1] C[C@H](C(=O)NC[*:1])[S@](=O)Cc1cccc(Cl)c1
CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1cccc(Cl)c1 CC(C)C[*:1] C[C@H](C(=O)N[*:1])[S@](=O)Cc1cccc(Cl)c1
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1ccccc1C(C)C CC(C)[*:1] Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1ccccc1[*:1]
O=C(C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] O=C(C[C@@H](c1ccccc1)[*:1])c1ccccc1
O=C(C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H](c1ccccc1)N1CCOCC1)[*:1]
O=C(C[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H](N1CCOCC1)[*:1])c1ccccc1
CCC(=O)[C@@H]1CC[C@@H](C)C[C@@H]1C CCC(=O)[*:1] C[C@H]1C[C@H](C)CC[C@H]1[*:1]
CN(C[C@H](O)C1CC1)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] CN(C[C@H](O)C1CC1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CN(C[C@H](O)C1CC1)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)[C@H]1CCCN(C1)C(=O)c1cccs1
CN(C[C@H](O)C1CC1)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 O[C@H](C1CC1)[*:1] CN(C[*:1])C(=O)[C@H]1CCCN(C1)C(=O)c1cccs1
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)cc2)NC(=S)N1c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] CC1=C(C(=O)N2CCOCC2)[C@H](NC(=S)N1c1ccc(Cl)cc1)[*:1]
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)cc2)NC(=S)N1c1ccc(Cl)cc1 O=C(N1CCOCC1)[*:1] CC1=C([C@@H](NC(=S)N1c1ccc(Cl)cc1)c1ccc(F)cc1)[*:1]
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)cc2)NC(=S)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC1=C(C(=O)N2CCOCC2)[C@@H](NC(=S)N1[*:1])c1ccc(F)cc1
N#Cc1ccc(SCc2ccco2)cc1N c1coc(c1)[*:1] N#Cc1ccc(cc1N)SC[*:1]
Cc1nc(Br)ccc1NC(=O)C(=O)N(C)CC[C@H](C)O C[C@H](O)C[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)N(C)C[*:1]
Cc1nc(Br)ccc1NC(=O)C(=O)N(C)CC[C@H](C)O C[C@H](O)CC[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)N(C)[*:1]
Cc1nc(Br)ccc1NC(=O)C(=O)N(C)CC[C@H](C)O C[C@H](O)[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)N(C)CC[*:1]
C/C=C/c1ccc(OC[C@H](O)CN2CCOC[C@@H]2C#N)c(OC)c1 CC=C[*:1] COc1cc(ccc1OC[C@H](O)CN1CCOC[C@@H]1C#N)[*:1]
COc1ccc(OC(=O)C[C@H]2OCCc3ccccc32)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OC(=O)C[C@H]2OCCc3ccccc32)c(c1)[*:1]
CC(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)c1ccc(cc1)NC(=O)c1ccccc1[*:1]
CC(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1[N+](=O)[O-]
CCS(=O)(=O)CCN(C)C(=O)Nc1ccc(N(C)C)[nH+]c1 CCS(=O)(=O)[*:1] CN(CC[*:1])C(=O)Nc1ccc([nH+]c1)N(C)C
CCS(=O)(=O)CCN(C)C(=O)Nc1ccc(N(C)C)[nH+]c1 CN(C)[*:1] CCS(=O)(=O)CCN(C)C(=O)Nc1ccc([nH+]c1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)Nc1ccc(N(C)C)[nH+]c1 CCS(=O)(=O)C[*:1] CN(C[*:1])C(=O)Nc1ccc([nH+]c1)N(C)C
CCS(=O)(=O)CCN(C)C(=O)Nc1ccc(N(C)C)[nH+]c1 CCS(=O)(=O)CC[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N(C)[*:1]
COC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 Cc1ccc(cc1Cl)[*:1] COC(=O)c1ccc(cc1)N1C(=O)C[C@@H](SCC(=O)N[*:1])C1=O
COC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 COC(=O)[*:1] Cc1ccc(cc1Cl)NC(=O)CS[C@@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)CS[C@@H]1CC(=O)N(C1=O)[*:1]
CNc1ncc(S(C)(=O)=O)c([C@H]2CCC[NH2+]C2)n1 CS(=O)(=O)[*:1] CNc1ncc(c(n1)[C@H]1CCC[NH2+]C1)[*:1]
COc1ccc2c(c1)[C@@H]([NH2+]CCCNC(=O)c1occc1C)CCCO2 Cc1ccoc1[*:1] COc1ccc2OCCC[C@H]([NH2+]CCCNC(=O)[*:1])c2c1
O=C(/C=C/C1CC1)NCc1ccc(C[NH+]2CCCCC2)cc1 C(=C[*:1])C1CC1 O=C(NCc1ccc(cc1)C[NH+]1CCCCC1)[*:1]
O=C(/C=C/C1CC1)NCc1ccc(C[NH+]2CCCCC2)cc1 C1CC1[*:1] O=C(C=C[*:1])NCc1ccc(cc1)C[NH+]1CCCCC1
Cc1ccc(OCc2occc2C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(c1ccoc1C[*:1])N1CCC(CC1)c1[nH]cc[nH+]1
Cc1ccc(OCc2occc2C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 Cc1ccc(cc1)OC[*:1] O=C(c1ccoc1[*:1])N1CCC(CC1)c1[nH]cc[nH+]1
Cc1ccc(OCc2occc2C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccoc1CO[*:1])N1CCC(CC1)c1[nH]cc[nH+]1
CCCNC(=O)c1ccc(Oc2ncc(-c3ccc(C)cc3)cn2)cc1 Cc1ccc(cc1)[*:1] CCCNC(=O)c1ccc(cc1)Oc1ncc(cn1)[*:1]
CCCNC(=O)c1ccc(Oc2ncc(-c3ccc(C)cc3)cn2)cc1 CCCNC(=O)[*:1] Cc1ccc(cc1)-c1cnc(nc1)Oc1ccc(cc1)[*:1]
CCCNC(=O)c1ccc(Oc2ncc(-c3ccc(C)cc3)cn2)cc1 CCC[*:1] Cc1ccc(cc1)-c1cnc(nc1)Oc1ccc(cc1)C(=O)N[*:1]
O=C(CNC(=O)c1cc(Cl)c2c(c1)OCCCO2)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] O=C(NC[*:1])c1cc(Cl)c2OCCCOc2c1
O=C(CNC(=O)c1cc(Cl)c2c(c1)OCCCO2)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CNC(=O)c1cc(Cl)c2OCCCOc2c1)N[*:1]
O=C(CNC(=O)c1cc(Cl)c2c(c1)OCCCO2)NCC(F)(F)F FC(F)(F)[*:1] O=C(CNC(=O)c1cc(Cl)c2OCCCOc2c1)NC[*:1]
Cc1cc(C)n(C(=O)CSc2n[nH]c(N/N=C/c3ccncc3)n2)n1 c1cc(ccn1)[*:1] Cc1cc(C)n(n1)C(=O)CSc1n[nH]c(n1)NN=C[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)c[nH]2)s1 Clc1c[nH]c(c1)[*:1] CNS(=O)(=O)c1ccc(CNC(=O)[*:1])s1
CNS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)c[nH]2)s1 CNS(=O)(=O)[*:1] O=C(NCc1ccc(s1)[*:1])c1cc(Cl)c[nH]1
CCOc1ccc(N2C(=O)S/C(=C\c3cccc(O)c3)C2=O)cc1 Oc1cccc(c1)[*:1] CCOc1ccc(cc1)N1C(=O)SC(=C[*:1])C1=O
CCOc1ccc(N2C(=O)S/C(=C\c3cccc(O)c3)C2=O)cc1 CCO[*:1] O=C1S/C(=C\c2cccc(O)c2)C(=O)N1c1ccc(cc1)[*:1]
O=C(OCc1cccc(C(F)(F)F)c1)c1ccccc1-n1cnnn1 FC(F)(F)[*:1] O=C(OCc1cccc(c1)[*:1])c1ccccc1-n1cnnn1
O=C(OCc1cccc(C(F)(F)F)c1)c1ccccc1-n1cnnn1 c1nnnn1[*:1] O=C(OCc1cccc(c1)C(F)(F)F)c1ccccc1[*:1]
C=CCN1C(=O)N[C@@H](c2cccc(C)c2)C2=C1CN([C@@H](C(=O)N1CCOCC1)c1ccccc1)C2=O O=C(N1CCOCC1)[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CC=21)[C@@H](c1ccccc1)[*:1])c1cccc(C)c1
C=CCN1C(=O)N[C@@H](c2cccc(C)c2)C2=C1CN([C@@H](C(=O)N1CCOCC1)c1ccccc1)C2=O C=CC[*:1] Cc1cccc(c1)[C@@H]1NC(=O)N(C2CN(C(=O)C=21)[C@@H](C(=O)N1CCOCC1)c1ccccc1)[*:1]
C=CCN1C(=O)N[C@@H](c2cccc(C)c2)C2=C1CN([C@@H](C(=O)N1CCOCC1)c1ccccc1)C2=O c1ccc(cc1)[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CC=21)[C@@H](C(=O)N1CCOCC1)[*:1])c1cccc(C)c1
C=CCN1C(=O)N[C@@H](c2cccc(C)c2)C2=C1CN([C@@H](C(=O)N1CCOCC1)c1ccccc1)C2=O Cc1cccc(c1)[*:1] C=CCN1C(=O)N[C@@H](C2C(=O)N(CC=21)[C@@H](C(=O)N1CCOCC1)c1ccccc1)[*:1]
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)cc2c1 CCO[*:1] O=c1[nH]c2ccc(cc2cc1[C@H](c1nnnn1C1CCCCC1)[NH+]1CCCCCC1)[*:1]
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)cc2c1 C1CCC(CC1)[*:1] CCOc1ccc2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1[*:1])[NH+]1CCCCCC1
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)cc2c1 C1CCC(CC1)n1nnnc1[*:1] CCOc1ccc2[nH]c(=O)c(cc2c1)[C@H]([NH+]1CCCCCC1)[*:1]
CC(C)[C@H](NC(=O)N1c2ccccc2N=C(O)[C@@H]1C(C)C)C(=O)N1CCC(C(=O)[O-])CC1 CC(C)[*:1] CC(C)[C@H]1C(O)=Nc2ccccc2N1C(=O)N[C@H](C(=O)N1CCC(CC1)C(=O)[O-])[*:1]
CC(C)[C@H](NC(=O)N1c2ccccc2N=C(O)[C@@H]1C(C)C)C(=O)N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] CC(C)[C@H](NC(=O)N1c2ccccc2N=C(O)[C@@H]1C(C)C)C(=O)N1CCC(CC1)[*:1]
CC(C)[C@H](NC(=O)N1c2ccccc2N=C(O)[C@@H]1C(C)C)C(=O)N1CCC(C(=O)[O-])CC1 CC(C)[*:1] CC(C)[C@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1[*:1])C(=O)N1CCC(CC1)C(=O)[O-]
Cc1nn(-c2ccccc2)c(C)c1C(=O)Oc1ccc2c(c1)CCC(=O)N2 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)Oc1ccc2NC(=O)CCc2c1)[*:1]
COc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)c(OC)c1 C1CCC(CC1)[*:1] COc1ccc(NC(=O)CSc2nnnn2[*:1])c(c1)OC
Cc1csc(CNc2ccc3[nH]nc(C(N)=O)c3c2)n1 Cc1csc(n1)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC[*:1]
Cc1csc(CNc2ccc3[nH]nc(C(N)=O)c3c2)n1 NC(=O)[*:1] Cc1csc(CNc2ccc3[nH]nc(c3c2)[*:1])n1
COc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1N FC(F)(F)[*:1] COc1ccc(cc1N)-c1nn2c(nnc2s1)[*:1]
CN(C)C(=O)Sc1ccc(CNc2ccc(C#N)cc2)cc1 CN(C)C(=O)S[*:1] N#Cc1ccc(cc1)NCc1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O O=S(=O)(N1CCCCCC1)[*:1] COc1ccc(cc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[*:1]
CNC(=O)c1ccc(CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 CNC(=O)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(C)Cc1ccc(cc1)[*:1]
COCC(=O)NCc1n[nH]c(=O)c2ccccc12 COCC(=O)N[*:1] O=c1[nH]nc(C[*:1])c2ccccc12
COCC(=O)NCc1n[nH]c(=O)c2ccccc12 COC[*:1] O=C(NCc1n[nH]c(=O)c2ccccc12)[*:1]
Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C Cc1occc1[*:1] C[C@H](Sc1nnc(n1C)[*:1])C(=O)Nc1sc2CCCCCc2c1C#N
CC(C)NC(=O)CN1CC[NH+](CCC2C[C@H](C)C[C@@H](C)C2)CC1 CC(C)NC(=O)[*:1] C[C@H]1CC(CC[NH+]2CCN(CC2)C[*:1])C[C@H](C)C1
CC(C)NC(=O)CN1CC[NH+](CCC2C[C@H](C)C[C@@H](C)C2)CC1 CC(C)[*:1] C[C@H]1CC(CC[NH+]2CCN(CC2)CC(=O)N[*:1])C[C@H](C)C1
CC(C)NC(=O)CN1CC[NH+](CCC2C[C@H](C)C[C@@H](C)C2)CC1 CC(C)NC(=O)C[*:1] C[C@H]1CC(CC[NH+]2CCN(CC2)[*:1])C[C@H](C)C1
C[C@H]1CC[C@H](NC(=O)NC[C@](C)(O)c2ccsc2)[C@H](C)C1 c1cc(cs1)[*:1] C[C@H]1CC[C@H](NC(=O)NC[C@](C)(O)[*:1])[C@H](C)C1
CCOc1ccc(N)c(S[C@H]2CC(=O)N(C3CC3)C2=O)c1 CCO[*:1] Nc1ccc(cc1S[C@H]1CC(=O)N(C1=O)C1CC1)[*:1]
CCOc1ccc(N)c(S[C@H]2CC(=O)N(C3CC3)C2=O)c1 C1CC1[*:1] CCOc1ccc(N)c(c1)S[C@H]1CC(=O)N(C1=O)[*:1]
O=C(CCNC(=O)c1ccc(F)cc1F)N[C@H]1c2ccccc2C[C@H]1O Fc1ccc(c(F)c1)[*:1] O=C(CCNC(=O)[*:1])N[C@H]1c2ccccc2C[C@H]1O
CC[C@@H]([NH3+])Cc1ccc(OC/C(Cl)=C/Cl)c(Br)c1 Cl/C=C(\Cl)CO[*:1] CC[C@@H]([NH3+])Cc1ccc(c(Br)c1)[*:1]
CC[C@@H]([NH3+])Cc1ccc(OC/C(Cl)=C/Cl)c(Br)c1 Cl/C=C(\Cl)C[*:1] CC[C@@H]([NH3+])Cc1ccc(O[*:1])c(Br)c1
CC[C@@H]([NH3+])Cc1ccc(OC/C(Cl)=C/Cl)c(Br)c1 Cl/C=C(\Cl)[*:1] CC[C@@H]([NH3+])Cc1ccc(OC[*:1])c(Br)c1
COCCCC(=O)Nc1cc(-c2cc3ccccc3o2)n[nH]1 COCCC[*:1] O=C(Nc1cc(n[nH]1)-c1cc2ccccc2o1)[*:1]
COCCCC(=O)Nc1cc(-c2cc3ccccc3o2)n[nH]1 COCC[*:1] O=C(C[*:1])Nc1cc(n[nH]1)-c1cc2ccccc2o1
COCCCC(=O)Nc1cc(-c2cc3ccccc3o2)n[nH]1 COC[*:1] O=C(CC[*:1])Nc1cc(n[nH]1)-c1cc2ccccc2o1
Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1 O=[N+]([O-])[*:1] Cc1cc(ccc1NCc1ccccc1)[*:1]
CCCc1nc(N[C@H](C)c2n[nH]c(=O)[nH]2)c2cnn(C)c2n1 O=c1[nH]nc([nH]1)[*:1] CCCc1nc(N[C@H](C)[*:1])c2cnn(C)c2n1
CCCc1nc(N[C@H](C)c2n[nH]c(=O)[nH]2)c2cnn(C)c2n1 CCC[*:1] C[C@@H](Nc1nc(nc2c1cnn2C)[*:1])c1n[nH]c(=O)[nH]1
O=C1NC(=O)c2ccccc2/C1=C\c1cc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C1NC(=O)c2ccccc2/C1=C\c1cc(cs1)[*:1]
Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2sccc2C)c1 Cc1ccsc1[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NNC(=O)[*:1]
COc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] COc1ccccc1NC(=O)c1ccc(F)c(c1)[*:1]
COc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 COc1ccccc1[*:1] O=C(N[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCOCC1
CCC[NH2+][C@@H]1CCC[C@@H]1CCN1CCn2cnnc2C1 CCC[*:1] c1nnc2CN(CC[C@H]3CCC[C@H]3[NH2+][*:1])CCn12
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c2ccccc2c1=O CC(C)CC[*:1] O=C(N[C@@H]1CCC[C@H]1[*:1])c1c[nH]c2ccccc2c1=O
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c2ccccc2c1=O CC(C)[*:1] O=C(N[C@@H]1CCC[C@H]1CC[*:1])c1c[nH]c2ccccc2c1=O
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c2ccccc2c1=O CC(C)C[*:1] O=C(N[C@@H]1CCC[C@H]1C[*:1])c1c[nH]c2ccccc2c1=O
CCCC(=O)Nc1cccc(C[NH2+]Cc2ccc(C)cc2C)c1 CCCC(=O)N[*:1] Cc1ccc(C[NH2+]Cc2cccc(c2)[*:1])c(C)c1
CCCC(=O)Nc1cccc(C[NH2+]Cc2ccc(C)cc2C)c1 CCC[*:1] Cc1ccc(C[NH2+]Cc2cccc(c2)NC(=O)[*:1])c(C)c1
Cn1c(=O)c2c(-c3cccc(Br)c3)n(Cc3cccnc3)cc2n(C)c1=O c1cncc(c1)[*:1] Cn1c(=O)c2c(-c3cccc(Br)c3)n(cc2n(C)c1=O)C[*:1]
Cn1c(=O)c2c(-c3cccc(Br)c3)n(Cc3cccnc3)cc2n(C)c1=O c1cncc(c1)C[*:1] Cn1c(=O)c2c(-c3cccc(Br)c3)n(cc2n(C)c1=O)[*:1]
Cn1c(=O)c2c(-c3cccc(Br)c3)n(Cc3cccnc3)cc2n(C)c1=O Brc1cccc(c1)[*:1] Cn1c(=O)c2c(n(cc2n(C)c1=O)Cc1cccnc1)[*:1]
Cn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)CC3CCCCC3)cc21 C1CCC(CC1)[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)NC(=O)C[*:1])N1CCOCC1
Cn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)CC3CCCCC3)cc21 C1CCC(CC1)C[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)NC(=O)[*:1])N1CCOCC1
Cn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)CC3CCCCC3)cc21 C1CN(CCO1)[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)NC(=O)CC1CCCCC1)[*:1]
Cn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)CC3CCCCC3)cc21 O=C(CC1CCCCC1)N[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)N1CCOCC1)[*:1]
CC(C)c1nc(NC(=O)NC[C@H]2C[C@H]2c2ccccc2)n(C)n1 c1ccc(cc1)[*:1] CC(C)c1nc(NC(=O)NC[C@H]2C[C@@H]2[*:1])n(C)n1
CC(C)c1nc(NC(=O)NC[C@H]2C[C@H]2c2ccccc2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)NC[C@H]1C[C@H]1c1ccccc1)[*:1]
O=C(Nc1c(F)cccc1F)NC1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(Nc1c(F)cccc1F)NC1CCN(CC1)C(=O)[*:1]
O=C(Nc1c(F)cccc1F)NC1CCN(C(=O)c2ccco2)CC1 Fc1cccc(F)c1[*:1] O=C(NC1CCN(CC1)C(=O)c1ccco1)N[*:1]
O=C(CCn1cnc2ccccc2c1=O)N(CC(F)(F)F)C1CCOCC1 C1CC(CCO1)[*:1] O=C(CCn1cnc2ccccc2c1=O)N(CC(F)(F)F)[*:1]
O=C(CCn1cnc2ccccc2c1=O)N(CC(F)(F)F)C1CCOCC1 FC(F)(F)[*:1] O=C(CCn1cnc2ccccc2c1=O)N(C[*:1])C1CCOCC1
O=C(CCn1cnc2ccccc2c1=O)N(CC(F)(F)F)C1CCOCC1 FC(F)(F)C[*:1] O=C(CCn1cnc2ccccc2c1=O)N(C1CCOCC1)[*:1]
C[C@H](C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)NCCc1cc(Cl)c2OCCOc2c1)[*:1]
CCC[NH2+][C@@H](CC(C)C)[C@H]1CCOC2(CCC2)C1 CCC[*:1] CC(C)C[C@H]([NH2+][*:1])[C@H]1CCOC2(CCC2)C1
CCC[NH2+][C@@H](CC(C)C)[C@H]1CCOC2(CCC2)C1 CC(C)C[*:1] CCC[NH2+][C@@H]([C@H]1CCOC2(CCC2)C1)[*:1]
CCC[NH2+][C@@H](CC(C)C)[C@H]1CCOC2(CCC2)C1 CC(C)[*:1] CCC[NH2+][C@@H](C[*:1])[C@H]1CCOC2(CCC2)C1
C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C)C[*:1]
C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C1CCCc2cc(ccc2N1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CC1(C)CS(=O)(=O)N(c2cc(C(=O)NCCc3ccc(F)cc3)ccc2Cl)C1=O Fc1ccc(cc1)CC[*:1] CC1(C)CS(=O)(=O)N(C1=O)c1cc(ccc1Cl)C(=O)N[*:1]
CC1(C)CS(=O)(=O)N(c2cc(C(=O)NCCc3ccc(F)cc3)ccc2Cl)C1=O Fc1ccc(cc1)[*:1] CC1(C)CS(=O)(=O)N(C1=O)c1cc(ccc1Cl)C(=O)NCC[*:1]
CC1(C)CS(=O)(=O)N(c2cc(C(=O)NCCc3ccc(F)cc3)ccc2Cl)C1=O Fc1ccc(cc1)C[*:1] CC1(C)CS(=O)(=O)N(C1=O)c1cc(ccc1Cl)C(=O)NC[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 Fc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCC[C@H](C1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 FC(F)(F)[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](C1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 Fc1ccc(cc1)O[*:1] C[C@H](C(=O)N1CCC[C@H](C1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 C[C@H](Oc1ccc(F)cc1)[*:1] O=C(N1CCC[C@H](C1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F)[*:1]
Cc1cc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)c(C)o1 Clc1ccc(cc1)[*:1] Cc1cc(C(=O)NNC(=O)C=C[*:1])c(C)o1
Cc1cc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)[*:1]
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])Nc1ccccc1[N+](=O)[O-]
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-n1nnnc1SCC(=O)Nc1ccccc1[*:1]
COc1ccc(C(=O)NCC#CCOc2ccc(C)nc2)cc1OC Cc1ccc(cn1)O[*:1] COc1ccc(cc1OC)C(=O)NCC#CC[*:1]
COc1ccc(C(=O)NCC#CCOc2ccc(C)nc2)cc1OC Cc1ccc(cn1)[*:1] COc1ccc(cc1OC)C(=O)NCC#CCO[*:1]
O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H]1CCC[C@H]1C[*:1]
O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H]1CCC[C@@H]1[*:1]
O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 c1cc2cc(ccc2[nH]1)[*:1] O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)C(=O)N[*:1]
C[C@H](NC(=O)COc1cccc(-c2nnco2)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)COc1cccc(c1)-c1nnco1)[*:1]
C[C@H](NC(=O)COc1cccc(-c2nnco2)c1)c1ccccc1 c1nnc(o1)[*:1] C[C@H](NC(=O)COc1cccc(c1)[*:1])c1ccccc1
C[C@H](NC(=O)COc1cccc(-c2nnco2)c1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(COc1cccc(c1)-c1nnco1)N[*:1]
O=C(Cc1csc(-c2cccnc2)n1)NCc1nnc2n1CCCCC2 c1cncc(c1)[*:1] O=C(Cc1csc(n1)[*:1])NCc1nnc2CCCCCn21
C[C@@](O)(CNC(=O)C(=O)Nc1ccon1)C1CC1 C1CC1[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1ccon1)[*:1]
C[C@@](O)(CNC(=O)C(=O)Nc1ccon1)C1CC1 c1cc(no1)[*:1] C[C@@](O)(CNC(=O)C(=O)N[*:1])C1CC1
C[C@@](O)(CNC(=O)C(=O)Nc1ccon1)C1CC1 C[C@@](O)(C1CC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccon1
CC(=O)NCCc1ccc(C(=O)COc2ccc(Cl)c(Cl)c2)s1 CC(=O)N[*:1] O=C(COc1ccc(Cl)c(Cl)c1)c1ccc(CC[*:1])s1
CC(=O)NCCc1ccc(C(=O)COc2ccc(Cl)c(Cl)c2)s1 CC(=O)NC[*:1] O=C(COc1ccc(Cl)c(Cl)c1)c1ccc(C[*:1])s1
CC(=O)NCCc1ccc(C(=O)COc2ccc(Cl)c(Cl)c2)s1 CC(=O)NCC[*:1] O=C(COc1ccc(Cl)c(Cl)c1)c1ccc(s1)[*:1]
Cc1ccc(/C=C(\C#N)C2=NC(=O)C3=C4CC[C@@H](C)C[C@@H]4SC3=N2)o1 Cc1ccc(o1)[*:1] C[C@@H]1CCC2=C3C(=O)N=C(N=C3S[C@H]2C1)C(C#N)=C[*:1]
COc1ccc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(cccc1NC(=O)C1CC1)NCC(=O)N[*:1]
COc1ccc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)cc1 C1CC1[*:1] COc1ccc(cc1)NC(=O)CNc1cccc(NC(=O)[*:1])c1C
COc1ccc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)cc1 O=C(N[*:1])C1CC1 COc1ccc(cc1)NC(=O)CNc1cccc(c1C)[*:1]
O=C(Nc1ccccc1C(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)CN1CCOCC1)c1ccccc1NC(=O)[*:1]
O=C(Nc1ccccc1C(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(NCc1ccc(cc1)CN1CCOCC1)c1ccccc1[*:1]
O=C(Nc1ccccc1C(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 C1CN(CCO1)[*:1] O=C(Nc1ccccc1C(=O)NCc1ccc(cc1)C[*:1])c1ccccc1
O=C(Nc1ccccc1C(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 C1CN(CCO1)C[*:1] O=C(Nc1ccccc1C(=O)NCc1ccc(cc1)[*:1])c1ccccc1
C=CCOC(=O)Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 COc1ccccc1[*:1] C=CCOC(=O)Oc1ccc2c(=O)c(coc2c1)[*:1]
C=CCOC(=O)Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 C=CC[*:1] COc1ccccc1-c1coc2cc(ccc2c1=O)OC(=O)O[*:1]
C=CCOC(=O)Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 C=CCOC(=O)O[*:1] COc1ccccc1-c1coc2cc(ccc2c1=O)[*:1]
O=Cc1ccc(OCC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cccs2)cc1 c1csc(c1)[*:1] O=Cc1ccc(cc1)OCC(=O)N1N=C(C[C@H]1[*:1])c1ccccc1Cl
O=Cc1ccc(OCC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cccs2)cc1 O=Cc1ccc(cc1)O[*:1] O=C(C[*:1])N1N=C(C[C@@H]1c1cccs1)c1ccccc1Cl
O=Cc1ccc(OCC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cccs2)cc1 O=Cc1ccc(cc1)[*:1] O=C(CO[*:1])N1N=C(C[C@@H]1c1cccs1)c1ccccc1Cl
O=Cc1ccc(OCC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cccs2)cc1 Clc1ccccc1[*:1] O=Cc1ccc(cc1)OCC(=O)N1N=C(C[C@@H]1c1cccs1)[*:1]
C[C@H](C(=O)NC[C@@H](CCO)c1ccccc1)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] C[C@H](C(=O)NC[C@@H](CCO)[*:1])c1ccc2ccccc2c1
C[C@H](C(=O)NC[C@@H](CCO)c1ccccc1)c1ccc2ccccc2c1 OCC[*:1] C[C@H](C(=O)NC[C@@H](c1ccccc1)[*:1])c1ccc2ccccc2c1
O=C([O-])c1nsc2c1N=C(O)C[C@@H]2c1ccc(F)cc1Cl O=C([O-])[*:1] OC1C[C@H](c2ccc(F)cc2Cl)c2snc(c2N=1)[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)Cc1cccc(OCC#N)c1 O=C(NC1CC1)[*:1] Cc1ccc(cc1NC(=O)Cc1cccc(c1)OCC#N)[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)Cc1cccc(OCC#N)c1 N#CCO[*:1] Cc1ccc(cc1NC(=O)Cc1cccc(c1)[*:1])C(=O)NC1CC1
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)Cc1cccc(OCC#N)c1 C1CC1[*:1] Cc1ccc(cc1NC(=O)Cc1cccc(c1)OCC#N)C(=O)N[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)Cc1cccc(OCC#N)c1 N#CC[*:1] Cc1ccc(cc1NC(=O)Cc1cccc(c1)O[*:1])C(=O)NC1CC1
COc1cc(F)ccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 O=[N+]([O-])c1ccc(o1)[*:1] COc1cc(F)ccc1N1CC[NH+](CC1)C[*:1]
COc1cc(F)ccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 O=[N+]([O-])[*:1] COc1cc(F)ccc1N1CC[NH+](CC1)Cc1ccc(o1)[*:1]
CC[C@H](C)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 CC[C@H](C)[*:1] O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[*:1]
CC[C@H](C)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](C)C(=O)NNC(=O)C(=O)NC[*:1]
Cc1cnc(CC/[NH+]=C(\N)NC2CCCCCC2)s1 Cc1cnc(s1)[*:1] N/C(NC1CCCCCC1)=[NH+]\CC[*:1]
COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccsc3)CC2)cc1F c1cc(cs1)C[*:1] COc1ccc(cc1F)S(=O)(=O)NCC1CC[NH+](CC1)[*:1]
COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccsc3)CC2)cc1F c1cc(cs1)[*:1] COc1ccc(cc1F)S(=O)(=O)NCC1CC[NH+](CC1)C[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1(CC1)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1(c2ccccc2)CC1 c1ccc(cc1)C1(CC1)[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1(c2ccccc2)CC1 Fc1ccccc1O[*:1] C[C@H](C(=O)NNC(=O)NCC1(CC1)c1ccccc1)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1(c2ccccc2)CC1 Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NNC(=O)NCC1(CC1)c1ccccc1
CCOC(=O)COc1cccc(NC(=O)N2CCCCCCC2)c1 CCOC(=O)CO[*:1] O=C(Nc1cccc(c1)[*:1])N1CCCCCCC1
CCOC(=O)COc1cccc(NC(=O)N2CCCCCCC2)c1 CCOC(=O)[*:1] O=C(Nc1cccc(c1)OC[*:1])N1CCCCCCC1
CCOC(=O)COc1cccc(NC(=O)N2CCCCCCC2)c1 CCOC(=O)C[*:1] O=C(Nc1cccc(c1)O[*:1])N1CCCCCCC1
Cn1ccnc1CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl Cn1ccnc1C[*:1] O=S(=O)(c1cc(Cl)ccc1Cl)N(C1CC1)[*:1]
Cn1ccnc1CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl Cn1ccnc1[*:1] O=S(=O)(c1cc(Cl)ccc1Cl)N(C[*:1])C1CC1
Cn1ccnc1CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl C1CC1[*:1] Cn1ccnc1CN(S(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
C=C(C)[C@@H](O)c1cc(Br)c2c(c1)OCO2 C=C(C)[C@@H](O)[*:1] Brc1cc(cc2OCOc12)[*:1]
C=C(C)[C@@H](O)c1cc(Br)c2c(c1)OCO2 C=C(C)[*:1] O[C@@H](c1cc(Br)c2OCOc2c1)[*:1]
O=C(CSc1nc2ccccc2o1)OCc1cc(-c2cccs2)on1 c1csc(c1)[*:1] O=C(CSc1nc2ccccc2o1)OCc1cc(on1)[*:1]
CSc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)ccc1C CSc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnnn1[*:1]
CSc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CSc1ccccc1-n1nnnc1SCC(=O)N[*:1]
CC1(C)CCN(C(=O)Nc2cnc(-c3ccccc3)s2)C1 c1ccc(cc1)[*:1] CC1(C)CCN(C1)C(=O)Nc1cnc(s1)[*:1]
O=C(Nc1cc(F)ccc1F)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 Fc1ccc(F)c(c1)[*:1] O=C(N[*:1])c1ccc(COc2c(F)c(F)cc(F)c2F)o1
O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCc1ccc(cc1)[*:1]
Cc1nc(CSCCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 Cc1nc(cs1)C[*:1] O=C(CCS[*:1])N1CCC[C@H](C1)c1nc2ccccc2s1
Cc1nc(CSCCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 Cc1nc(cs1)[*:1] O=C(CCSC[*:1])N1CCC[C@H](C1)c1nc2ccccc2s1
Cc1nc(CSCCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 Cc1nc(cs1)CSC[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1nc2ccccc2s1
Cc1nc(CSCCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 Cc1nc(cs1)CS[*:1] O=C(CC[*:1])N1CCC[C@H](C1)c1nc2ccccc2s1
Cc1nc(CSCCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 c1ccc2sc(nc2c1)[*:1] Cc1nc(cs1)CSCCC(=O)N1CCC[C@@H](C1)[*:1]
O=C([O-])c1ccc(N[C@@H]2CCCS(=O)(=O)C2)c(F)c1F O=C([O-])[*:1] O=S1(=O)CCC[C@H](C1)Nc1ccc(c(F)c1F)[*:1]
CN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCCC[C@@H]1[*:1]
CN(C(=O)CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1 C1CC1[*:1] CN(C(=O)CS(=O)(=O)c1ccc(Cl)c(Cl)c1)[*:1]
CCC[NH2+][C@@H](Cc1ccc(F)cc1F)[C@H]1CCO[C@@H]1C CCC[*:1] C[C@H]1OCC[C@@H]1[C@H](Cc1ccc(F)cc1F)[NH2+][*:1]
CS(=O)(=O)CCNC(=O)CCn1cnc2ccccc2c1=O CS(=O)(=O)CC[*:1] O=C(CCn1cnc2ccccc2c1=O)N[*:1]
CS(=O)(=O)CCNC(=O)CCn1cnc2ccccc2c1=O CS(=O)(=O)[*:1] O=C(CCn1cnc2ccccc2c1=O)NCC[*:1]
CS(=O)(=O)CCNC(=O)CCn1cnc2ccccc2c1=O CS(=O)(=O)C[*:1] O=C(CCn1cnc2ccccc2c1=O)NC[*:1]
C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(s1)[*:1]
O=C(c1cccc(F)c1F)N1CCO[C@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cccc(F)c1F)N1CCO[C@@H](C1)C[*:1]
O=C(c1cccc(F)c1F)N1CCO[C@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1cccc(F)c1F)N1CCO[C@H](C1)[*:1]
Cc1ccn(-c2ccc(NCCN3CCCS3(=O)=O)nn2)n1 O=S1(=O)CCCN1[*:1] Cc1ccn(n1)-c1ccc(nn1)NCC[*:1]
Cc1ccn(-c2ccc(NCCN3CCCS3(=O)=O)nn2)n1 Cc1ccn(n1)[*:1] O=S1(=O)CCCN1CCNc1ccc(nn1)[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)s1 CCc1nnc(s1)[*:1] COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)s1 O=C(c1ccccc1)[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C([C@@H]1c1ccccc1OC)[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)s1 c1ccc(cc1)[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccc1OC
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)s1 COc1ccccc1[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@H]1[*:1]
CN(C(=O)/C=C/c1ccccc1)C1(C#N)CCC1 N#CC1(CCC1)[*:1] CN(C(=O)/C=C/c1ccccc1)[*:1]
CN(C(=O)/C=C/c1ccccc1)C1(C#N)CCC1 c1ccc(cc1)[*:1] CN(C(=O)C=C[*:1])C1(C#N)CCC1
CSc1nn(Cc2ccccc2Cl)c2nc3sc(C)cc3c(=O)n12 Clc1ccccc1C[*:1] CSc1nn(c2nc3sc(C)cc3c(=O)n12)[*:1]
CSc1nn(Cc2ccccc2Cl)c2nc3sc(C)cc3c(=O)n12 Clc1ccccc1[*:1] CSc1nn(C[*:1])c2nc3sc(C)cc3c(=O)n12
CCC[C@@H]([NH3+])c1nc([O-])c(-c2ccc(Cl)cc2)c(=O)[nH]1 CCC[*:1] [NH3+][C@@H](c1nc([O-])c(-c2ccc(Cl)cc2)c(=O)[nH]1)[*:1]
CC(C)COc1ccc(CNC(=O)c2ccc(-n3cncn3)nc2)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)OC[*:1])c1ccc(nc1)-n1cncn1
CC(C)COc1ccc(CNC(=O)c2ccc(-n3cncn3)nc2)cc1 CC(C)C[*:1] O=C(NCc1ccc(cc1)O[*:1])c1ccc(nc1)-n1cncn1
CC(C)COc1ccc(CNC(=O)c2ccc(-n3cncn3)nc2)cc1 CC(C)CO[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(nc1)-n1cncn1
CC(C)COc1ccc(CNC(=O)c2ccc(-n3cncn3)nc2)cc1 c1ncn(n1)[*:1] CC(C)COc1ccc(cc1)CNC(=O)c1ccc(nc1)[*:1]
CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1c(C)noc1C CC[C@H](C)[*:1] Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)N[*:1]
CNc1cc(COc2cc(C)ccc2C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1cc(ccc1[*:1])COc1cc(C)ccc1C
O=C(C[NH+]1CCCNCC1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(C[NH+]1CCCNCC1)Nc1ccc(cc1)[*:1]
O=C(C[NH+]1CCCNCC1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(C[NH+]1CCCNCC1)Nc1ccc(cc1)O[*:1]
C[C@@]1(c2cccc(Cl)c2)NC(=O)N(Cc2cc(F)cc3cccnc23)C1=O Clc1cccc(c1)[*:1] C[C@]1(NC(=O)N(Cc2cc(F)cc3cccnc23)C1=O)[*:1]
Cc1ccc(CN2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)cc1 Cc1ccc(cc1)C[*:1] O=c1c(coc2c3CN(COc3ccc12)[*:1])-c1ccccc1
Cc1ccc(CN2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN1COc2ccc3c(=O)c(coc3c2C1)[*:1]
Cc1ccc(CN2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)cc1 Cc1ccc(cc1)[*:1] O=c1c(coc2c3CN(COc3ccc12)C[*:1])-c1ccccc1
CCCOc1ccccc1NC(=O)c1coc(Br)c1 CCCO[*:1] O=C(Nc1ccccc1[*:1])c1coc(Br)c1
CCCOc1ccccc1NC(=O)c1coc(Br)c1 CCC[*:1] O=C(Nc1ccccc1O[*:1])c1coc(Br)c1
CCCOc1ccccc1NC(=O)c1coc(Br)c1 Brc1cc(co1)[*:1] CCCOc1ccccc1NC(=O)[*:1]
CC(C)OCCS(=O)(=O)N(C)C1(C[NH3+])CCCCC1 CC(C)OCC[*:1] CN(C1(C[NH3+])CCCCC1)S(=O)(=O)[*:1]
CC(C)OCCS(=O)(=O)N(C)C1(C[NH3+])CCCCC1 CC(C)OC[*:1] CN(C1(C[NH3+])CCCCC1)S(=O)(=O)C[*:1]
CC(C)OCCS(=O)(=O)N(C)C1(C[NH3+])CCCCC1 CC(C)[*:1] CN(C1(C[NH3+])CCCCC1)S(=O)(=O)CCO[*:1]
CC(C)OCCS(=O)(=O)N(C)C1(C[NH3+])CCCCC1 CC(C)O[*:1] CN(C1(C[NH3+])CCCCC1)S(=O)(=O)CC[*:1]
Cc1nc(CCCN(C)S(=O)(=O)c2cccs2)cs1 Cc1nc(cs1)[*:1] CN(CCC[*:1])S(=O)(=O)c1cccs1
Cc1nc(CCCN(C)S(=O)(=O)c2cccs2)cs1 c1csc(c1)[*:1] Cc1nc(cs1)CCCN(C)S(=O)(=O)[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H]1[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@H]1c1ccccc1 C[C@H](O)[*:1] CC(C)(CNC(=O)N1CCC[C@H]1c1ccccc1)C[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@H]1c1ccccc1 C[C@H](O)C[*:1] CC(C)(CNC(=O)N1CCC[C@H]1c1ccccc1)[*:1]
COc1ccccc1[C@@H]1S[C@H](C)C(=O)N1c1c(C)n(C)n(-c2ccccc2)c1=O COc1ccccc1[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)N1C(=O)[C@@H](C)S[C@H]1[*:1]
COc1ccccc1[C@@H]1S[C@H](C)C(=O)N1c1c(C)n(C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] COc1ccccc1[C@@H]1S[C@H](C)C(=O)N1c1c(C)n(C)n(c1=O)[*:1]
Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@@H](c1cccs1)O2 c1csc(c1)[*:1] Clc1ccc2O[C@H](N3N=C(C[C@@H]3c2c1)c1ccco1)[*:1]
Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@@H](c1cccs1)O2 c1coc(c1)[*:1] Clc1ccc2O[C@H](c3cccs3)N3N=C(C[C@@H]3c2c1)[*:1]
CN(CCOc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CN(CCOc1ccc(F)cc1Cl)S(=O)(=O)[*:1]
COC(=O)c1cncc(C(=O)NC[C@H](C)N2CCc3ccccc32)c1 COC(=O)[*:1] C[C@@H](CNC(=O)c1cncc(c1)[*:1])N1CCc2ccccc21
COc1ccccc1NC(=O)N1CCC(CNC(=O)CN2C(=O)c3ccccc3C2=O)CC1 O=C1c2ccccc2C(=O)N1[*:1] COc1ccccc1NC(=O)N1CCC(CC1)CNC(=O)C[*:1]
COc1ccccc1NC(=O)N1CCC(CNC(=O)CN2C(=O)c3ccccc3C2=O)CC1 COc1ccccc1[*:1] O=C(CN1C(=O)c2ccccc2C1=O)NCC1CCN(CC1)C(=O)N[*:1]
CC[C@H](C)NC(=O)NNC(=O)CCSc1ccc(F)cc1 CC[C@H](C)[*:1] O=C(CCSc1ccc(F)cc1)NNC(=O)N[*:1]
CC[C@H](C)NC(=O)NNC(=O)CCSc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)NNC(=O)CCS[*:1]
O=C([O-])COCCNc1nncs1 O=C([O-])C[*:1] c1nnc(NCCO[*:1])s1
O=C([O-])COCCNc1nncs1 O=C([O-])[*:1] c1nnc(NCCOC[*:1])s1
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2nc[nH]c2-c2cccnc2)c1 Cc1cccc(c1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1nc[nH]c1-c1cccnc1
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2nc[nH]c2-c2cccnc2)c1 Cc1cccc(c1)NC(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1nc[nH]c1-c1cccnc1
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2nc[nH]c2-c2cccnc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)[C@H](NC(=O)c1nc[nH]c1-c1cccnc1)[*:1]
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2nc[nH]c2-c2cccnc2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc[nH]c1[*:1]
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2nc[nH]c2-c2cccnc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)[C@H](C[*:1])NC(=O)c1nc[nH]c1-c1cccnc1
COc1ccccc1C(NC(=O)c1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1 COc1ccccc1[*:1] O=C(NC(NC(=O)c1ccc(Cl)cc1)[*:1])c1ccc(Cl)cc1
COc1ccccc1C(NC(=O)c1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccccc1C(NC(=O)c1ccc(Cl)cc1)NC(=O)[*:1]
COc1cccc([C@@H]2C[C@H]2C(=O)NCc2cn(-c3ccccc3)nn2)c1 COc1cccc(c1)[*:1] O=C(NCc1cn(nn1)-c1ccccc1)[C@@H]1C[C@H]1[*:1]
COc1cccc([C@@H]2C[C@H]2C(=O)NCc2cn(-c3ccccc3)nn2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1C[C@H]1C(=O)NCc1cn(nn1)[*:1]
CCOc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)cc1OC OCC[*:1] CCOc1ccc(cc1OC)[C@@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1c(C)cc(C)cc1O
CCOc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)cc1OC Cc1cc(C)c(c(O)c1)[*:1] CCOc1ccc(cc1OC)[C@@H]1c2c(n[nH]c2C(=O)N1CCO)[*:1]
CCOc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1c2c(n[nH]c2C(=O)N1CCO)-c1c(C)cc(C)cc1O
CNC(=O)c1c(NC(=O)Cc2coc3ccc(C(C)C)cc23)sc2c1CCCC2 CNC(=O)[*:1] CC(C)c1ccc2occ(CC(=O)Nc3sc4CCCCc4c3[*:1])c2c1
CNC(=O)c1c(NC(=O)Cc2coc3ccc(C(C)C)cc23)sc2c1CCCC2 CC(C)[*:1] CNC(=O)c1c(NC(=O)Cc2coc3ccc(cc23)[*:1])sc2CCCCc21
COc1ccc(CN2CCN(C(=O)c3ccc(NC(=O)c4ccco4)s3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(s1)C(=O)N1CCN(CC1)C[*:1])c1ccco1
COc1ccc(CN2CCN(C(=O)c3ccc(NC(=O)c4ccco4)s3)CC2)cc1 O=C(N[*:1])c1ccco1 COc1ccc(cc1)CN1CCN(CC1)C(=O)c1ccc(s1)[*:1]
COc1ccc(CN2CCN(C(=O)c3ccc(NC(=O)c4ccco4)s3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1ccc(s1)C(=O)N1CCN(CC1)[*:1])c1ccco1
COc1ccc(CN2CCN(C(=O)c3ccc(NC(=O)c4ccco4)s3)CC2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)CN1CCN(CC1)C(=O)c1ccc(NC(=O)[*:1])s1
CCn1c(COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)nc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] CCn1c(COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)nc2cc(ccc21)[*:1]
CCN(Cc1cccc(F)c1)C(=O)CSCC(F)(F)F FC(F)(F)CS[*:1] CCN(Cc1cccc(F)c1)C(=O)C[*:1]
CCN(Cc1cccc(F)c1)C(=O)CSCC(F)(F)F FC(F)(F)C[*:1] CCN(Cc1cccc(F)c1)C(=O)CS[*:1]
CCN(Cc1cccc(F)c1)C(=O)CSCC(F)(F)F FC(F)(F)[*:1] CCN(Cc1cccc(F)c1)C(=O)CSC[*:1]
O=C(Nc1ccc2ccccc2c1)/C(=C/c1ccccc1)NC(=O)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1ccc2ccccc2c1)C(=C[*:1])NC(=O)c1ccco1
O=C(Nc1ccc2ccccc2c1)/C(=C/c1ccccc1)NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 O=C(Nc1ccc2ccccc2c1)C(=Cc1ccccc1)[*:1]
O=C(Nc1ccc2ccccc2c1)/C(=C/c1ccccc1)NC(=O)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc2ccccc2c1)/C(=C/c1ccccc1)NC(=O)[*:1]
CC(C)(CO)CCCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 CC(C)(CO)[*:1] N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCC[*:1]
CC(C)(CO)CCCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CO)CCCNC(=O)N1CCC[C@H]1[C@H](C#N)[*:1]
CC(C)(CO)CCCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 CC(C)(CO)CC[*:1] N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[*:1]
CC(C)(CO)CCCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 CC(C)(CO)C[*:1] N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC[*:1]
CC(C)(CO)CCCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 CC(C)(CO)CCC[*:1] N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[*:1]
CC1=NC(C)=C(C(=O)N2CCCC2)[C@@H]1S(=O)(=O)N1CCc2ccccc2C1 O=C(N1CCCC1)[*:1] CC1=NC(C)=C([C@@H]1S(=O)(=O)N1CCc2ccccc2C1)[*:1]
C[C@H](OC(=O)c1cccn1C)C(=O)Nc1ccccc1C#N Cn1cccc1[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1ccccc1C#N
COc1ccc([C@@H](C[N+](=O)[O-])OC)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)[C@@H](C[*:1])OC
COc1ccc([C@@H](C[N+](=O)[O-])OC)cc1OC O=[N+]([O-])C[*:1] COc1ccc(cc1OC)[C@@H](OC)[*:1]
O=C(Nc1ccc(F)cc1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)Nc1ccc(Cl)cc1
O=C(Nc1ccc(F)cc1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)C1CCN(CC1)C(=O)N[*:1]
CCN(CC)C(=O)N[C@@H](C(N)=S)C1CC1 NC(=S)[*:1] CCN(CC)C(=O)N[C@@H](C1CC1)[*:1]
CCN(CC)C(=O)N[C@@H](C(N)=S)C1CC1 C1CC1[*:1] CCN(CC)C(=O)N[C@@H](C(N)=S)[*:1]
CC(C)(NC(=O)N[C@H]1CCc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(NC(=O)N[C@H]1CCc2ccc(F)cc21)c1ccc(cc1)[*:1]
CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc3ccccc23)nc1[O-] CC(=O)Nc1ccccc1[*:1] O=C(CSc1nnc(c([O-])n1)[*:1])Nc1cccc2ccccc12
CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc3ccccc23)nc1[O-] CC(=O)N[*:1] O=C(CSc1nnc(-c2ccccc2[*:1])c([O-])n1)Nc1cccc2ccccc12
CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc3ccccc23)nc1[O-] c1ccc2c(cccc2c1)[*:1] CC(=O)Nc1ccccc1-c1nnc(nc1[O-])SCC(=O)N[*:1]
CC[C@@H](CNC(=O)[C@H]1CCCO1)Oc1ccccc1C(F)(F)F C1CO[C@H](C1)[*:1] CC[C@@H](CNC(=O)[*:1])Oc1ccccc1C(F)(F)F
CC[C@@H](CNC(=O)[C@H]1CCCO1)Oc1ccccc1C(F)(F)F FC(F)(F)[*:1] CC[C@@H](CNC(=O)[C@H]1CCCO1)Oc1ccccc1[*:1]
C[NH+](C)C1([C@H]([NH3+])CCC2CC2)CCCCCC1 C1CC1CC[*:1] C[NH+](C)C1(CCCCCC1)[C@H]([NH3+])[*:1]
C[NH+](C)C1([C@H]([NH3+])CCC2CC2)CCCCCC1 C1CC1C[*:1] C[NH+](C)C1(CCCCCC1)[C@H]([NH3+])C[*:1]
C[NH+](C)C1([C@H]([NH3+])CCC2CC2)CCCCCC1 C1CC1[*:1] C[NH+](C)C1(CCCCCC1)[C@H]([NH3+])CC[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 CN(C)S(=O)(=O)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 Cc1noc(C)c1[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1csc(CNC(=O)Nc2ccc(Br)cc2)n1 Cc1csc(n1)[*:1] O=C(NC[*:1])Nc1ccc(Br)cc1
CC(C)C[C@@H](C(=O)N(C)c1nccs1)N1C(=O)c2ccccc2C1=O CC(C)C[*:1] CN(C(=O)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1])c1nccs1
CC(C)C[C@@H](C(=O)N(C)c1nccs1)N1C(=O)c2ccccc2C1=O c1csc(n1)[*:1] CC(C)C[C@@H](C(=O)N(C)[*:1])N1C(=O)c2ccccc2C1=O
CC(C)C[C@@H](C(=O)N(C)c1nccs1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] CN(C(=O)[C@H](C[*:1])N1C(=O)c2ccccc2C1=O)c1nccs1
CC[NH2+][C@@H](C=C(C)C)[C@@H]1C[NH+]2CCN1CC2 CC(C)=C[*:1] CC[NH2+][C@@H]([C@@H]1C[NH+]2CCN1CC2)[*:1]
COc1ccc2c(c1)=C(CC[NH2+][C@H]1CC(=O)N(c3ccccc3)C1=O)C[NH+]=2 c1ccc(cc1)[*:1] COc1ccc2=[NH+]CC(CC[NH2+][C@H]3CC(=O)N(C3=O)[*:1])=c2c1
CC(C)CO[C@H](C)c1noc(CN2C[C@@H](C)OCC2(C)C)n1 CC(C)[*:1] C[C@@H]1CN(Cc2nc(no2)[C@@H](C)OC[*:1])C(C)(C)CO1
CC(C)CO[C@H](C)c1noc(CN2C[C@@H](C)OCC2(C)C)n1 CC(C)C[*:1] C[C@@H]1CN(Cc2nc(no2)[C@@H](C)O[*:1])C(C)(C)CO1
CC(C)CO[C@H](C)c1noc(CN2C[C@@H](C)OCC2(C)C)n1 CC(C)CO[C@H](C)[*:1] C[C@@H]1CN(Cc2nc(no2)[*:1])C(C)(C)CO1
CC(C)CO[C@H](C)c1noc(CN2C[C@@H](C)OCC2(C)C)n1 CC(C)CO[*:1] C[C@@H]1CN(Cc2nc(no2)[C@@H](C)[*:1])C(C)(C)CO1
C[C@](CO)([NH2+]Cc1nnc(Cc2ccccc2)o1)C1CCCCC1 c1ccc(cc1)[*:1] C[C@](CO)([NH2+]Cc1nnc(C[*:1])o1)C1CCCCC1
C[C@](CO)([NH2+]Cc1nnc(Cc2ccccc2)o1)C1CCCCC1 c1ccc(cc1)C[*:1] C[C@](CO)([NH2+]Cc1nnc(o1)[*:1])C1CCCCC1
C[C@](CO)([NH2+]Cc1nnc(Cc2ccccc2)o1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@](CO)([NH2+]Cc1nnc(Cc2ccccc2)o1)[*:1]
CSc1cccc(N2C[C@H](C(=O)NCCNC(C)=O)CC2=O)c1 CC(=O)NC[*:1] CSc1cccc(c1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
CSc1cccc(N2C[C@H](C(=O)NCCNC(C)=O)CC2=O)c1 CC(=O)N[*:1] CSc1cccc(c1)N1C[C@@H](CC1=O)C(=O)NCC[*:1]
CSc1cccc(N2C[C@H](C(=O)NCCNC(C)=O)CC2=O)c1 CC(=O)NCC[*:1] CSc1cccc(c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1nn(C)c(C)c1/C=C/C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 Cc1nn(C)c(C)c1[*:1] O=C(C=C[*:1])N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1
Cc1nn(C)c(C)c1/C=C/C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1/C=C/C(=O)N[C@H]([C@@H]1CCCO1)[*:1]
Cc1nn(C)c(C)c1/C=C/C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1nn(C)c(C)c1/C=C/C(=O)N[C@H](c1ccc(F)cc1)[*:1]
N#Cc1ccc(C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)cn1 N#Cc1ccc(cn1)[*:1] O=C1Nc2ccccc2C12CCN(CC2)C(=O)[*:1]
CCn1ccnc1SCC(=O)N1CCO[C@@H]2CCCC[C@H]21 CCn1ccnc1[*:1] O=C(CS[*:1])N1CCO[C@@H]2CCCC[C@H]21
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H](C)CCC1CCCCC1 C1CCC(CC1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H](C)CC[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H](C)CCC1CCCCC1 Cc1n[nH]c(C)c1[*:1] C[C@@H](CCC1CCCCC1)NC(=O)[C@H](C)C[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H](C)CCC1CCCCC1 C1CCC(CC1)C[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@@H](C)C[*:1]
C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccsc1 c1cc(cs1)[*:1] C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[*:1]
NC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 c1coc(c1)[*:1] NC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(C1)C[*:1])c1ccccc1
NC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 NC(=O)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])[C@H]1CC(=O)N(Cc2ccco2)C1
NC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[*:1]
NC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 c1coc(c1)C[*:1] NC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccccc1
C[C@H]1C(=O)N(CC(=O)NC(=O)NC(C)(C)C)C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]1C(=O)N(CC(=O)NC(=O)NC(C)(C)C)C(=O)N1[*:1]
C[C@H]1C(=O)N(CC(=O)NC(=O)NC(C)(C)C)C(=O)N1c1ccc(F)cc1 CC(C)(C)[*:1] C[C@H]1C(=O)N(CC(=O)NC(=O)N[*:1])C(=O)N1c1ccc(F)cc1
C[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1n1cc(C)cn1 Cc1cnn(c1)[*:1] C[NH2+][C@H]1c2cc(ccc2C[C@H]1[*:1])OC
O=C(/C=C\c1ccco1)NC(=S)N1CCCCC1 c1coc(c1)[*:1] O=C(C=C[*:1])NC(=S)N1CCCCC1
CCc1c(C)sc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1C#N Fc1ccc(cc1)[*:1] CCc1c(C)sc(NC(=O)C2CCN(CC2)C(=O)[*:1])c1C#N
Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NS(=O)(=O)Cc1ccccc1 Fc1ccc(c(Cl)c1)[*:1] Cc1nn(C[*:1])c(C)c1NS(=O)(=O)Cc1ccccc1
Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NS(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NS(=O)(=O)[*:1]
Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NS(=O)(=O)Cc1ccccc1 Fc1ccc(C[*:1])c(Cl)c1 Cc1nn(c(C)c1NS(=O)(=O)Cc1ccccc1)[*:1]
Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NS(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NS(=O)(=O)C[*:1]
C#CCN(C(=O)N[C@@H]1CC[C@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(C(=O)N[C@@H]1CC[C@@H](C1)SCC)[*:1]
C#CCN(C(=O)N[C@@H]1CC[C@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(C(=O)N[C@@H]1CC[C@H](SCC)C1)[C@@H]1CCS(=O)(=O)C1 CCS[*:1] C#CCN(C(=O)N[C@@H]1CC[C@H](C1)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccc(/C=C/CC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)CC=C[*:1]
CC(=O)N1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C(N)=O)C1 Fc1ccc(cc1)S[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)CC[*:1])c2C(N)=O
CC(=O)N1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C(N)=O)C1 Fc1ccc(cc1)SC[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)C[*:1])c2C(N)=O
CC(=O)N1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C(N)=O)C1 NC(=O)[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)CCSc1ccc(F)cc1)c2[*:1]
CC(=O)N1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C(N)=O)C1 Fc1ccc(cc1)[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)CCS[*:1])c2C(N)=O
COc1cccc([C@@H](CNC(=O)/C(C#N)=C\c2ccco2)[NH+](C)C)c1 c1coc(c1)[*:1] COc1cccc(c1)[C@@H](CNC(=O)C(C#N)=C[*:1])[NH+](C)C
COc1cccc([C@@H](CNC(=O)/C(C#N)=C\c2ccco2)[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)/C(C#N)=C\c1ccco1)[*:1]
CCCNC(=O)c1cccc(-c2cccs2)c1 c1csc(c1)[*:1] CCCNC(=O)c1cccc(c1)[*:1]
CCCNC(=O)c1cccc(-c2cccs2)c1 CCC[*:1] O=C(N[*:1])c1cccc(c1)-c1cccs1
Nc1ccc(-c2cc3ccccc3s2)c(C(=O)[O-])n1 O=C([O-])[*:1] Nc1ccc(-c2cc3ccccc3s2)c(n1)[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(C2CC2)n1C[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(n1Cc1ccccc1)[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(C2CC2)n1[*:1]
CC(C)c1ocnc1CS(=O)(=O)[C@H](C)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)c1ocnc1CS(=O)(=O)[C@H](C)C(=O)N(C)[*:1]
CC(C)c1ocnc1CS(=O)(=O)[C@H](C)C(=O)N(C)c1ccccc1 CC(C)[*:1] C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ncoc1[*:1]
CN(C(=O)NC1CC1)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)NC1CC1)[C@@H]1CCC[C@H]1[*:1]
CN(C(=O)NC1CC1)[C@@H]1CCC[C@@H]1S(C)(=O)=O C1CC1[*:1] CN(C(=O)N[*:1])[C@@H]1CCC[C@@H]1S(C)(=O)=O
Clc1ccccc1N1CCN(CCn2cccn2)CC1 c1cnn(c1)[*:1] Clc1ccccc1N1CCN(CC1)CC[*:1]
Clc1ccccc1N1CCN(CCn2cccn2)CC1 c1cnn(c1)C[*:1] Clc1ccccc1N1CCN(CC1)C[*:1]
C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)C(=O)N[*:1])c1c[nH]c2ccc(cc12)[N+](=O)[O-]
C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1)c1c[nH]c2ccc(cc12)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)CC3)CC2=O)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1])N1CCCC1
O=C(N[C@@H]1CCCOc2ccccc21)NC1(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(N[C@@H]1CCCOc2ccccc21)NC1(CC1)[*:1]
COc1ccccc1N1CCN(C(=O)[C@@H]2C=C(c3ccc(C)cc3)N=N2)CC1 Cc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)[C@@H]1C=C(N=N1)[*:1]
COc1ccccc1N1CCN(C(=O)[C@@H]2C=C(c3ccc(C)cc3)N=N2)CC1 COc1ccccc1[*:1] Cc1ccc(cc1)C1=C[C@H](N=N1)C(=O)N1CCN(CC1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(F)cc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@H]1[*:1]
N#Cc1nnc2ccccc2c1NC1CC1 C1CC1N[*:1] N#Cc1nnc2ccccc2c1[*:1]
N#Cc1nnc2ccccc2c1NC1CC1 C1CC1[*:1] N#Cc1nnc2ccccc2c1N[*:1]
CC[NH2+][C@H](C)c1ccccc1N(CC)c1ccccc1C Cc1ccccc1[*:1] CC[NH2+][C@H](C)c1ccccc1N(CC)[*:1]
O=C([O-])[C@@H]1CC[C@@H](CS(=O)(=O)c2cccc(F)c2)O1 O=C([O-])[*:1] O=S(=O)(C[C@@H]1CC[C@H](O1)[*:1])c1cccc(F)c1
CCCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 O=[N+]([O-])[*:1] CCCCNC(=O)c1cc2cccc(c2[nH]1)[*:1]
CCCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 CCCC[*:1] O=C(N[*:1])c1cc2cccc(c2[nH]1)[N+](=O)[O-]
CCCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 CCC[*:1] O=C(NC[*:1])c1cc2cccc(c2[nH]1)[N+](=O)[O-]
O=S(=O)(C[C@@H]1CCCCO1)N(Cc1ccsc1)c1cccnc1 c1cc(cs1)[*:1] O=S(=O)(C[C@@H]1CCCCO1)N(C[*:1])c1cccnc1
O=S(=O)(C[C@@H]1CCCCO1)N(Cc1ccsc1)c1cccnc1 c1cc(cs1)C[*:1] O=S(=O)(C[C@@H]1CCCCO1)N(c1cccnc1)[*:1]
O=S(=O)(C[C@@H]1CCCCO1)N(Cc1ccsc1)c1cccnc1 C1CC[C@H](OC1)[*:1] O=S(=O)(C[*:1])N(Cc1ccsc1)c1cccnc1
O=S(=O)(C[C@@H]1CCCCO1)N(Cc1ccsc1)c1cccnc1 c1cncc(c1)[*:1] O=S(=O)(C[C@@H]1CCCCO1)N(Cc1ccsc1)[*:1]
CC[C@@H]1c2cccn2CCN1C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 FC(F)(F)[*:1] CC[C@@H]1c2cccn2CCN1C(=O)c1cn(Cc2cccc(c2)[*:1])nn1
CCC[C@](C)(C(=O)[O-])[C@@H]1CCO[C@]2(CCSC2)C1 O=C([O-])[*:1] CCC[C@](C)([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCC[C@](C)(C(=O)[O-])[C@@H]1CCO[C@]2(CCSC2)C1 CCC[*:1] C[C@](C(=O)[O-])([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCc1cccc(C)c1NC(=O)[C@H](C)S[C@H](C)C(C)=O CC(=O)[C@@H](C)S[*:1] CCc1cccc(C)c1NC(=O)[C@H](C)[*:1]
CCc1cccc(C)c1NC(=O)[C@H](C)S[C@H](C)C(C)=O CC(=O)[*:1] CCc1cccc(C)c1NC(=O)[C@H](C)S[C@H](C)[*:1]
CCc1cccc(C)c1NC(=O)[C@H](C)S[C@H](C)C(C)=O CC(=O)[C@@H](C)[*:1] CCc1cccc(C)c1NC(=O)[C@H](C)S[*:1]
C[C@@H](NC(=O)Cc1noc2ccccc12)C(N)=O C[C@@H](C(N)=O)[*:1] O=C(Cc1noc2ccccc12)N[*:1]
C[C@@H](NC(=O)Cc1noc2ccccc12)C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)Cc1noc2ccccc12)[*:1]
Cc1c(C(=O)O[C@H](C)c2cc(F)ccc2F)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)O[C@H](C)c1cc(F)ccc1F
Cc1ccoc1C(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1ccoc1C(=O)N1CC=C(CC1)[*:1]
Cc1ccoc1C(=O)N1CC=C(c2ccccc2Cl)CC1 Cc1ccoc1[*:1] O=C(N1CC=C(CC1)c1ccccc1Cl)[*:1]
COc1ccc(C)cc1NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 COc1ccc(C)cc1[*:1] O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21)N[*:1]
COc1ccc(C)cc1NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 Clc1cccc(c1)[*:1] COc1ccc(C)cc1NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@H]1COc2ccccc2C1
O=C(Nc1ccccc1)C1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 O=C(Nc1ccccc1)[*:1] O=C([C@H]1COc2ccccc2C1)N1CCC(CC1)[*:1]
Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)c1C O=c1[nH]nc([nH]1)[*:1] Cc1ccc(C)c(OCC(=O)N[C@@H](C)[*:1])c1C
COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2F)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)[C@H](C)[NH2+][C@@H](C)C(=O)N[*:1]
Cc1cccc(C)c1N1CCN(C(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1cccc(C)c1N1CCN(CC1)C(=O)[*:1]
C#Cc1cccc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1 c1cnc(nc1)[*:1] C#Cc1cccc(c1)NC(=O)NC[C@H]1CCCN(C1)[*:1]
C#Cc1cccc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1 C#Cc1cccc(c1)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)N[*:1]
Cc1ccc(N)c(SCCOc2ccccc2C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(N)c(c1)SCCOc1ccccc1[*:1]
CCn1cc(C(=O)N2CCC(c3nc(C)no3)CC2)cn1 Cc1noc(n1)[*:1] CCn1cc(cn1)C(=O)N1CCC(CC1)[*:1]
CCn1cc(C(=O)N2CCC(c3nc(C)no3)CC2)cn1 CCn1cc(cn1)[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)[*:1]
COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccccc1Cl c1nnc2sc(nn12)[*:1] COc1ccc(cc1NC(=O)c1ccccc1Cl)[*:1]
COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] COc1ccc(cc1NC(=O)[*:1])-c1nn2cnnc2s1
CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@@H](NC(=O)Cn1nc(ccc1=O)-c1ccc2ccccc2c1)[*:1]
CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)[O-] CC[C@@H](C)[*:1] O=C(Cn1nc(ccc1=O)-c1ccc2ccccc2c1)N[C@@H](C(=O)[O-])[*:1]
CC(C)NC(=O)c1cccc2c1NC(=O)C2 CC(C)[*:1] O=C1Cc2cccc(C(=O)N[*:1])c2N1
COC(=O)c1ccc(C(=O)N[C@@H](C)c2cc(C)sc2C)cn1 COC(=O)[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)c1ccc(nc1)[*:1]
COC(=O)c1ccc(C(=O)N[C@@H](C)c2cc(C)sc2C)cn1 Cc1cc(c(C)s1)[*:1] COC(=O)c1ccc(cn1)C(=O)N[C@@H](C)[*:1]
CO[C@@H]1C[C@@H]2C(=O)N([C@@H]3CCOC3)C(=O)N2C1 C1C[C@H](CO1)[*:1] CO[C@@H]1C[C@@H]2C(=O)N(C(=O)N2C1)[*:1]
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)COc1ncnc2ccccc12 c1ccc2c(ncnc2c1)[*:1] CCN(CC1CC[NH+](CC1)C1CC[NH+](C)CC1)C(=O)CO[*:1]
CCCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 CCCc1nnc(s1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
CCCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 O=S(=O)(N1CCCC1)[*:1] CCCc1nnc(NC(=O)c2cccc(c2)[*:1])s1
CCCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 CCC[*:1] O=C(Nc1nnc(s1)[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)OCc1cscn1)[*:1]
C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(N[*:1])c1ccc(cc1)OCc1cscn1
C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 c1nc(cs1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)OC[*:1])c1ccccc1
C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 c1nc(cs1)CO[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1
C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1 c1nc(cs1)C[*:1] C[C@@H](NC(=O)c1ccc(cc1)O[*:1])c1ccccc1
CC(C)[C@@](O)(C(=O)[O-])[C@H](C)c1ccc(F)cc1 CC(C)[*:1] C[C@H](c1ccc(F)cc1)[C@@](O)(C(=O)[O-])[*:1]
CC(C)[C@@](O)(C(=O)[O-])[C@H](C)c1ccc(F)cc1 O=C([O-])[*:1] CC(C)[C@@](O)([C@H](C)c1ccc(F)cc1)[*:1]
COc1ccccc1NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C FC(F)(F)[*:1] COc1ccccc1NC(=O)c1nnn(-c2cccc(c2)[*:1])c1C
COc1ccccc1NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C COc1ccccc1[*:1] Cc1c(nnn1-c1cccc(c1)C(F)(F)F)C(=O)N[*:1]
COC1CCN(CC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 C1CCC(C1)[*:1] COC1CCN(CC[NH2+][C@H](c2ccc(F)cc2)[*:1])CC1
COC1CCN(CC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 Fc1ccc(cc1)[*:1] COC1CCN(CC[NH2+][C@H](C2CCCC2)[*:1])CC1
COC1CCN(CC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 COC1CCN(CC1)[*:1] Fc1ccc(cc1)[C@@H]([NH2+]CC[*:1])C1CCCC1
CN(Cc1nnc(C2CC2)n1C)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)NC[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)NCc1ccc(Cl)cc1 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)NCc1ccc(Cl)cc1
O=C(c1cn[nH]n1)N1CCN2C(=O)NC[C@H]2C1 c1n[nH]nc1[*:1] O=C1NC[C@H]2CN(CCN12)C(=O)[*:1]
C=CCN(C(=O)[C@H](CC)c1ccccc1)c1nnc(-c2ccncc2)s1 C=CC[*:1] CC[C@@H](C(=O)N(c1nnc(s1)-c1ccncc1)[*:1])c1ccccc1
C=CCN(C(=O)[C@H](CC)c1ccccc1)c1nnc(-c2ccncc2)s1 c1cc(ccn1)[*:1] C=CCN(C(=O)[C@H](CC)c1ccccc1)c1nnc(s1)[*:1]
C=CCN(C(=O)[C@H](CC)c1ccccc1)c1nnc(-c2ccncc2)s1 c1ccc(cc1)[*:1] C=CCN(C(=O)[C@H](CC)[*:1])c1nnc(s1)-c1ccncc1
COc1ccccc1C[C@@H](C)N(C)C(=O)CCc1ccco1 c1coc(c1)CC[*:1] COc1ccccc1C[C@@H](C)N(C)C(=O)[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)CCc1ccco1 c1coc(c1)C[*:1] COc1ccccc1C[C@@H](C)N(C)C(=O)C[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)CCc1ccco1 c1coc(c1)[*:1] COc1ccccc1C[C@@H](C)N(C)C(=O)CC[*:1]
Cc1ccnc2nc(C(=O)NC[C@H]3CCCN(c4ncccn4)C3)nn12 c1cnc(nc1)[*:1] Cc1ccnc2nc(nn12)C(=O)NC[C@H]1CCCN(C1)[*:1]
CCC/C(=N\NC(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 CC(=O)N[*:1] CCC/C(=N\NC(=O)c1ccc(cc1)[*:1])c1ccccc1
CCC/C(=N\NC(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 CCC[*:1] CC(=O)Nc1ccc(cc1)C(=O)N/N=C(/c1ccccc1)[*:1]
CCC/C(=N\NC(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCCC(=NNC(=O)c1ccc(cc1)NC(C)=O)[*:1]
CCc1nnsc1N(Cc1ccc(F)cc1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCc1nnsc1N(Cc1ccc(F)cc1)[*:1]
CCc1nnsc1N(Cc1ccc(F)cc1)c1ccc(OC)cc1 Fc1ccc(cc1)C[*:1] CCc1nnsc1N(c1ccc(cc1)OC)[*:1]
CCc1nnsc1N(Cc1ccc(F)cc1)c1ccc(OC)cc1 Fc1ccc(cc1)[*:1] CCc1nnsc1N(C[*:1])c1ccc(cc1)OC
Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2c(C)noc2C)s1 c1coc(c1)C[*:1] Cc1ccc(CN(S(=O)(=O)c2c(C)noc2C)[*:1])s1
Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2c(C)noc2C)s1 c1coc(c1)[*:1] Cc1ccc(CN(C[*:1])S(=O)(=O)c2c(C)noc2C)s1
Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2c(C)noc2C)s1 Cc1ccc(s1)[*:1] Cc1noc(C)c1S(=O)(=O)N(Cc1ccco1)C[*:1]
Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2c(C)noc2C)s1 Cc1noc(C)c1[*:1] Cc1ccc(CN(Cc2ccco2)S(=O)(=O)[*:1])s1
Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2c(C)noc2C)s1 Cc1ccc(C[*:1])s1 Cc1noc(C)c1S(=O)(=O)N(Cc1ccco1)[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CCCCC1 O=[N+]([O-])[*:1] O=S(=O)(NCC1CCCCC1)c1ccccc1[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CCCCC1 C1CCC(CC1)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)NC[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)O[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)C1 c1ccc(cc1)O[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)[*:1]
CN(C)C(=S)CCS(=O)(=O)c1ccccc1 CN(C)C(=S)[*:1] O=S(=O)(CC[*:1])c1ccccc1
N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 O=[N+]([O-])c1ccc(cc1)N[*:1] N#CC(=C[*:1])c1nc(cs1)-c1cc2cc(Br)ccc2oc1=O
N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 O=[N+]([O-])[*:1] N#C/C(=C\Nc1ccc(cc1)[*:1])c1nc(cs1)-c1cc2cc(Br)ccc2oc1=O
N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 O=[N+]([O-])c1ccc(cc1)[*:1] N#C/C(=C\N[*:1])c1nc(cs1)-c1cc2cc(Br)ccc2oc1=O
CC(C)c1ccc(C[C@H](C)NC(=O)N2CC[C@H](C)[C@@H](O)C2)cc1 CC(C)[*:1] C[C@@H](Cc1ccc(cc1)[*:1])NC(=O)N1CC[C@H](C)[C@@H](O)C1
Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(Cl)c(c1)[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 Cc1c(Cl)cccc1[*:1] O=C(CNC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1)N[*:1]
CCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(F)cc3)C2=O)cc1 CCC[*:1] O=C1C[C@H]([NH2+]Cc2ccc(F)cc2)C(=O)N1c1ccc(cc1)O[*:1]
CCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(F)cc3)C2=O)cc1 CCCO[*:1] O=C1C[C@H]([NH2+]Cc2ccc(F)cc2)C(=O)N1c1ccc(cc1)[*:1]
CCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(F)cc3)C2=O)cc1 Fc1ccc(cc1)[*:1] CCCOc1ccc(cc1)N1C(=O)C[C@H]([NH2+]C[*:1])C1=O
CCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(F)cc3)C2=O)cc1 Fc1ccc(cc1)C[*:1] CCCOc1ccc(cc1)N1C(=O)C[C@H]([NH2+][*:1])C1=O
Cc1noc(C)c1CN(C)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 Cc1noc(C)c1[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)-c1nnc2CCCn21
Cc1noc(C)c1CN(C)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 Cc1noc(C)c1C[*:1] CN(C(=O)Nc1cccc(c1)-c1nnc2CCCn21)[*:1]
Cc1noc(C)c1CN(C)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 C1Cc2nnc(n2C1)[*:1] Cc1noc(C)c1CN(C)C(=O)Nc1cccc(c1)[*:1]
CCCc1nn(-c2ccncn2)c(Cl)c1CO CCC[*:1] OCc1c(nn(-c2ccncn2)c1Cl)[*:1]
CCC[C@H](C)Cn1ccc([C@H](O)CCC)c1 CCC[*:1] CCC[C@H](C)Cn1ccc(c1)[C@H](O)[*:1]
CCC[C@H](C)Cn1ccc([C@H](O)CCC)c1 CCC[C@H](C)[*:1] CCC[C@@H](O)c1ccn(c1)C[*:1]
CCC[C@H](C)Cn1ccc([C@H](O)CCC)c1 CCC[*:1] CCC[C@@H](O)c1ccn(c1)C[C@@H](C)[*:1]
CCC[C@H](C)Cn1ccc([C@H](O)CCC)c1 CCC[C@@H](O)[*:1] CCC[C@H](C)Cn1ccc(c1)[*:1]
O=S(=O)(CC1CCC1)NCc1ccccc1-n1cccn1 C1CC(C1)C[*:1] O=S(=O)(NCc1ccccc1-n1cccn1)[*:1]
O=S(=O)(CC1CCC1)NCc1ccccc1-n1cccn1 c1cnn(c1)[*:1] O=S(=O)(CC1CCC1)NCc1ccccc1[*:1]
O=S(=O)(CC1CCC1)NCc1ccccc1-n1cccn1 C1CC(C1)[*:1] O=S(=O)(C[*:1])NCc1ccccc1-n1cccn1
C[NH2+][C@@H](C)c1ccccc1OCCO OCCO[*:1] C[NH2+][C@@H](C)c1ccccc1[*:1]
C[NH2+][C@@H](C)c1ccccc1OCCO OCC[*:1] C[NH2+][C@@H](C)c1ccccc1O[*:1]
CCOC(=O)N[C@H](OCC)c1ccccc1 CCO[*:1] CCOC(=O)N[C@H](c1ccccc1)[*:1]
c1cncc(C[NH+]2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)c1 c1cncc(c1)[*:1] C1CN(CCS1)c1nc2nonc2nc1N1CC[NH+](CC1)C[*:1]
c1cncc(C[NH+]2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)c1 C1CN(CCS1)[*:1] c1cncc(c1)C[NH+]1CCN(CC1)c1nc2nonc2nc1[*:1]
c1cncc(C[NH+]2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)c1 c1cncc(c1)C[*:1] C1CN(CCS1)c1nc2nonc2nc1N1CC[NH+](CC1)[*:1]
CN(CCC#N)C(=O)Nc1cc(Cl)ccc1F N#CC[*:1] CN(C[*:1])C(=O)Nc1cc(Cl)ccc1F
CN(CCC#N)C(=O)Nc1cc(Cl)ccc1F N#CCC[*:1] CN(C(=O)Nc1cc(Cl)ccc1F)[*:1]
CNc1snc(C)c1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CNc1snc(C)c1C(=O)Nc1cccc(c1)OC[*:1]
CNc1snc(C)c1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 CNc1snc(C)c1[*:1] O=C(Nc1cccc(c1)OC[C@@H]1CCCO1)[*:1]
CNc1snc(C)c1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] CNc1snc(C)c1C(=O)Nc1cccc(c1)O[*:1]
CNc1snc(C)c1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] CNc1snc(C)c1C(=O)Nc1cccc(c1)[*:1]
COC(=O)[C@H](C)S(=O)(=O)N1CCC[C@H]1C[C@@H](C)O COC(=O)[*:1] C[C@H](S(=O)(=O)N1CCC[C@H]1C[C@@H](C)O)[*:1]
COC(=O)[C@H](C)S(=O)(=O)N1CCC[C@H]1C[C@@H](C)O C[C@@H](O)C[*:1] COC(=O)[C@H](C)S(=O)(=O)N1CCC[C@@H]1[*:1]
COC(=O)[C@H](C)S(=O)(=O)N1CCC[C@H]1C[C@@H](C)O C[C@@H](O)[*:1] COC(=O)[C@H](C)S(=O)(=O)N1CCC[C@H]1C[*:1]
COC(=O)[C@H](C)S(=O)(=O)N1CCC[C@H]1C[C@@H](C)O COC(=O)[C@H](C)[*:1] C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)[*:1]
O=C1OC(/C=C/c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(F)cc1 O=[N+]([O-])[*:1] O=C1OC(/C=C/c2cccc(c2)[*:1])=N/C1=C\c1ccc(F)cc1
O=C1OC(/C=C/c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1OC(/C=C/c2cccc(c2)[N+](=O)[O-])=N/C/1=C[*:1]
CCC(=O)[C@@H](C)c1ncnc(OC)c1[N+](=O)[O-] CCC(=O)[*:1] COc1ncnc(c1[N+](=O)[O-])[C@H](C)[*:1]
CCC(=O)[C@@H](C)c1ncnc(OC)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCC(=O)[C@@H](C)c1ncnc(OC)c1[*:1]
CCCS[C@@H]1CCCC(C)(C)[C@H]1[NH3+] CCC[*:1] CC1(C)CCC[C@@H](S[*:1])[C@@H]1[NH3+]
CCCS[C@@H]1CCCC(C)(C)[C@H]1[NH3+] CCCS[*:1] CC1(C)CCC[C@H]([C@@H]1[NH3+])[*:1]
COc1ccc(/C=C(/C)C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 N#Cc1ccc(nc1)[*:1] COc1ccc(/C=C(/C)C[NH2+]C2CCC(CC2)O[*:1])cc1
COc1ccc(/C=C(/C)C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 COc1ccc(cc1)[*:1] CC(=C[*:1])C[NH2+]C1CCC(CC1)Oc1ccc(C#N)cn1
COc1ccc(/C=C(/C)C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 N#Cc1ccc(nc1)O[*:1] COc1ccc(/C=C(/C)C[NH2+]C2CCC(CC2)[*:1])cc1
COc1ccccc1N1CCN(c2ncnc(N)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] COc1ccccc1N1CCN(CC1)c1ncnc(N)c1[*:1]
COc1ccccc1N1CCN(c2ncnc(N)c2[N+](=O)[O-])CC1 COc1ccccc1[*:1] Nc1ncnc(c1[N+](=O)[O-])N1CCN(CC1)[*:1]
Cc1ncc(CSCCCC(C)(C)C#N)s1 CC(C)(C#N)[*:1] Cc1ncc(CSCCC[*:1])s1
O=C(NCCCC[NH+]1CCCC1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1Cl)[*:1] O=C(NCCCC[NH+]1CCCC1)N1CCO[C@@H](C1)[*:1]
COC[C@@H]([NH2+]Cc1ccc(CO)o1)c1ccc(F)c(F)c1 OCc1ccc(o1)[*:1] COC[C@@H]([NH2+]C[*:1])c1ccc(F)c(F)c1
COC[C@@H]([NH2+]Cc1ccc(CO)o1)c1ccc(F)c(F)c1 COC[*:1] OCc1ccc(C[NH2+][C@@H](c2ccc(F)c(F)c2)[*:1])o1
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1nnc2n1CCC2 Clc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NCCc1nnc2CCCn21
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[*:1]
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1nnc2n1CCC2 C1Cc2nnc(C[*:1])n2C1 CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[*:1]
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1nnc2n1CCC2 CC(C)[*:1] O=C(N[C@@H](C(=O)NCCc1nnc2CCCn21)[*:1])c1ccc(Cl)cc1
COCCNC(=O)c1nn2cccnc2c1Cl COCC[*:1] O=C(N[*:1])c1nn2cccnc2c1Cl
COCCNC(=O)c1nn2cccnc2c1Cl COC[*:1] O=C(NC[*:1])c1nn2cccnc2c1Cl
C=C(Cl)CO[C@@H]1CC[C@@H]([NH3+])C1 C=C(Cl)[*:1] [NH3+][C@@H]1CC[C@H](C1)OC[*:1]
C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1ccc2c(c1)OCO2 c1cc(ccn1)[*:1] C[C@@H](Sc1nnc(n1C1CC1)[*:1])C(=O)Nc1ccc2OCOc2c1
C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1ccc2c(c1)OCO2 C1CC1[*:1] C[C@@H](Sc1nnc(-c2ccncc2)n1[*:1])C(=O)Nc1ccc2OCOc2c1
C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N[*:1]
Cc1ccc(CSc2nnc(NC(=O)c3snnc3C)s2)cc1 Cc1nnsc1[*:1] Cc1ccc(cc1)CSc1nnc(NC(=O)[*:1])s1
Cc1ccc(CSc2nnc(NC(=O)c3snnc3C)s2)cc1 Cc1ccc(cc1)[*:1] Cc1nnsc1C(=O)Nc1nnc(SC[*:1])s1
C[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1noc(-c2ccc(Cl)cc2)n1 C[C@H]1C[C@@H]1[*:1] C[C@H](NC(=O)N[*:1])c1noc(n1)-c1ccc(Cl)cc1
C[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1noc(n1)[*:1]
C[C@H]1C[C@@H](N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)C(=O)O1 C[C@H]1C[C@@H](C(=O)O1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)C1CCN(CC1)[*:1]
C[C@H](CCCO)NC(=O)NCc1cc(F)ccc1Br C[C@H](CCCO)[*:1] O=C(NCc1cc(F)ccc1Br)N[*:1]
C[C@H](CCCO)NC(=O)NCc1cc(F)ccc1Br OCC[*:1] C[C@H](C[*:1])NC(=O)NCc1cc(F)ccc1Br
C[C@H](CCCO)NC(=O)NCc1cc(F)ccc1Br OCCC[*:1] C[C@H](NC(=O)NCc1cc(F)ccc1Br)[*:1]
CCC[C@@H]1CN(C(=O)CCOc2cccc(C(N)=O)c2)CCO1 NC(=O)[*:1] CCC[C@@H]1CN(CCO1)C(=O)CCOc1cccc(c1)[*:1]
CCC[C@@H]1CN(C(=O)CCOc2cccc(C(N)=O)c2)CCO1 CCC[*:1] NC(=O)c1cccc(c1)OCCC(=O)N1CCO[C@@H](C1)[*:1]
CCCc1cc(NC(=O)C[C@H](C)c2ccccc2C)n(C)n1 CCC[*:1] Cc1ccccc1[C@@H](C)CC(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)C[C@H](C)c2ccccc2C)n(C)n1 Cc1ccccc1[*:1] CCCc1cc(NC(=O)C[C@H](C)[*:1])n(C)n1
Cc1nc2c(s1)[C@H]([NH2+]Cc1ccn(C3CCCC3)n1)CCC2 C1CCC(C1)[*:1] Cc1nc2CCC[C@@H]([NH2+]Cc3ccn(n3)[*:1])c2s1
CCN(CC)c1ncc(C[NH+](C)Cc2cc(Cl)cn2C)s1 CCN(CC)[*:1] Cn1cc(Cl)cc1C[NH+](C)Cc1cnc(s1)[*:1]
CCN(CC)c1ncc(C[NH+](C)Cc2cc(Cl)cn2C)s1 Cn1cc(Cl)cc1[*:1] CCN(CC)c1ncc(C[NH+](C)C[*:1])s1
Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n(CC(C)C)c1C CC(C)C[*:1] Cc1nc(SCC(=O)Nc2ccc3OCCOc3c2)n(c1C)[*:1]
Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n(CC(C)C)c1C CC(C)[*:1] Cc1nc(SCC(=O)Nc2ccc3OCCOc3c2)n(C[*:1])c1C
O=C1C[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)c2c(c3ccccc3oc2=O)O1 O=[N+]([O-])[*:1] O=C1C[C@H](c2cc3OCOc3cc2[*:1])c2c(O1)c1ccccc1oc2=O
Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CNC(=O)c1ccc(o1)[*:1]
Cc1ccc(/C=N/NC(=O)COc2ccccc2C#N)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccccc1OCC(=O)NN=C[*:1]
CCN(Cc1ccccc1)C(=O)C1CN(C(=O)c2cc(C)on2)C1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)C1CN(C1)C(=O)c1cc(C)on1
CCN(Cc1ccccc1)C(=O)C1CN(C(=O)c2cc(C)on2)C1 Cc1cc(no1)[*:1] CCN(Cc1ccccc1)C(=O)C1CN(C1)C(=O)[*:1]
CCN(Cc1ccccc1)C(=O)C1CN(C(=O)c2cc(C)on2)C1 c1ccc(cc1)C[*:1] CCN(C(=O)C1CN(C1)C(=O)c1cc(C)on1)[*:1]
Nc1cc([N+](=O)[O-])c(F)cc1F O=[N+]([O-])[*:1] Nc1cc(c(F)cc1F)[*:1]
COCCCCN1CCn2c(nn(C)c2=O)C1 COCC[*:1] Cn1nc2CN(CCn2c1=O)CC[*:1]
COCCCCN1CCn2c(nn(C)c2=O)C1 COC[*:1] Cn1nc2CN(CCC[*:1])CCn2c1=O
COCCCCN1CCn2c(nn(C)c2=O)C1 COCCC[*:1] Cn1nc2CN(CCn2c1=O)C[*:1]
O=C(CN1CCCC1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CN1CCCC1=O)N1CCN(CC1)C(c1ccc(F)cc1)[*:1]
O=C(CN1CCCC1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 O=C1CCCN1C[*:1] O=C(N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)[*:1]
O=C(CN1CCCC1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 O=C1CCCN1[*:1] O=C(C[*:1])N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
C[C@@H](Cc1ccccn1)N(C)Cc1cnc(N2CCCCC2)nc1 C1CCN(CC1)[*:1] C[C@@H](Cc1ccccn1)N(C)Cc1cnc(nc1)[*:1]
C[C@@H](Cc1ccccn1)N(C)Cc1cnc(N2CCCCC2)nc1 c1ccc(nc1)[*:1] C[C@@H](C[*:1])N(C)Cc1cnc(nc1)N1CCCCC1
C[C@@H](Cc1ccccn1)N(C)Cc1cnc(N2CCCCC2)nc1 c1ccc(C[*:1])nc1 C[C@@H](N(C)Cc1cnc(nc1)N1CCCCC1)[*:1]
O=C(Nc1ccc2nc(C3CC3)oc2c1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)c1nc(n2ccccc12)[*:1]
O=C(Nc1ccc2nc(C3CC3)oc2c1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(Nc1ccc2nc(oc2c1)[*:1])c1nc(C2CC2)n2ccccc12
CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(CC(=O)[O-])cs1 O=C([O-])C[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(cs1)[*:1]
CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(CC(=O)[O-])cs1 O=C([O-])[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(cs1)C[*:1]
Cc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)cc1Br NC(=O)[*:1] Cc1cc(c(C)cc1Br)S(=O)(=O)N1CCC(CC1)[*:1]
O=C(NC[C@]1(O)CCSC1)c1ccc(Cn2ccnc2)cc1 c1cn(cn1)C[*:1] O=C(NC[C@]1(O)CCSC1)c1ccc(cc1)[*:1]
O=C(NC[C@]1(O)CCSC1)c1ccc(Cn2ccnc2)cc1 c1cn(cn1)[*:1] O=C(NC[C@]1(O)CCSC1)c1ccc(cc1)C[*:1]
O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)cc1)[C@@H](CNS(=O)(=O)[*:1])c1cccs1
O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)[*:1])c1ccc(Cl)cc1
O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 c1csc(c1)[*:1] O=S(=O)(NC[C@@H](S(=O)(=O)c1ccc(F)cc1)[*:1])c1ccc(Cl)cc1
Fc1ccc([C@@H]2C[NH2+]C[C@@H](c3ccccc3)O2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)[C@@H]1C[NH2+]C[C@@H](O1)[*:1]
CC(C)(C)C(=O)c1cccc(Br)c1 CC(C)(C)[*:1] O=C(c1cccc(Br)c1)[*:1]
C[C@H](OC[C@H]1CCCO1)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 C1CO[C@H](C1)C[*:1] C[C@H](O[*:1])C(=O)N(C)Cc1nc(cs1)C(F)(F)F
C[C@H](OC[C@H]1CCCO1)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 C1CO[C@H](C1)[*:1] C[C@H](OC[*:1])C(=O)N(C)Cc1nc(cs1)C(F)(F)F
C[C@H](OC[C@H]1CCCO1)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] C[C@H](OC[C@H]1CCCO1)C(=O)N(C)Cc1nc(cs1)[*:1]
C[C@H](OC[C@H]1CCCO1)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 C1CO[C@H](C1)CO[*:1] C[C@H](C(=O)N(C)Cc1nc(cs1)C(F)(F)F)[*:1]
CCCc1noc(C([NH3+])(CC)CC)n1 CCC[*:1] CCC([NH3+])(CC)c1nc(no1)[*:1]
CC(C)NC(=O)c1cc([C@H]2CCN(Cc3ccnc4ccccc34)C2)nc2ccccc12 CC(C)NC(=O)[*:1] c1ccc2c(ccnc2c1)CN1CC[C@@H](C1)c1cc(c2ccccc2n1)[*:1]
CC(C)NC(=O)c1cc([C@H]2CCN(Cc3ccnc4ccccc34)C2)nc2ccccc12 CC(C)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)[C@H]1CCN(Cc2ccnc3ccccc23)C1
CC(C)NC(=O)c1cc([C@H]2CCN(Cc3ccnc4ccccc34)C2)nc2ccccc12 c1ccc2c(ccnc2c1)[*:1] CC(C)NC(=O)c1cc(nc2ccccc12)[C@H]1CCN(C1)C[*:1]
Cc1ccc(-c2noc(CSc3nnc4ccccn34)n2)cc1F Cc1ccc(cc1F)[*:1] c1ccn2c(nnc2c1)SCc1nc(no1)[*:1]
Cc1cc([C@@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 Clc1ccccc1[*:1] Cc1cc(c(NC(=O)c2ccco2)s1)[C@@H](N1CC[NH+](C)CC1)[*:1]
Cc1cc([C@@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 c1coc(c1)[*:1] Cc1cc(c(NC(=O)[*:1])s1)[C@@H](c1ccccc1Cl)N1CC[NH+](C)CC1
Cc1cc([C@@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 O=C(N[*:1])c1ccco1 Cc1cc(c(s1)[*:1])[C@@H](c1ccccc1Cl)N1CC[NH+](C)CC1
Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1 Cc1nnc(SC[*:1])s1 O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1)[*:1]
Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1 Cc1nnc(s1)[*:1] O=C(CS[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Cc1nnc(SCC(=O)N2CCN(CC2)S(=O)(=O)[*:1])s1
Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1 Cc1nnc(S[*:1])s1 O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
C[C@@H](NC(=O)CSCc1ccco1)c1ccccc1Cl c1coc(c1)[*:1] C[C@@H](NC(=O)CSC[*:1])c1ccccc1Cl
C[C@@H](NC(=O)CSCc1ccco1)c1ccccc1Cl c1coc(c1)C[*:1] C[C@@H](NC(=O)CS[*:1])c1ccccc1Cl
CC(=O)N(c1nc(COc2ccc(C#N)cc2)cs1)c1cccc(C)c1C N#Cc1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)CO[*:1])c1cccc(C)c1C
CC(=O)N(c1nc(COc2ccc(C#N)cc2)cs1)c1cccc(C)c1C N#Cc1ccc(cc1)O[*:1] CC(=O)N(c1nc(cs1)C[*:1])c1cccc(C)c1C
CC(=O)N(c1nc(COc2ccc(C#N)cc2)cs1)c1cccc(C)c1C Cc1cccc(c1C)[*:1] CC(=O)N(c1nc(cs1)COc1ccc(C#N)cc1)[*:1]
CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C Cc1ccc(c(c1)[*:1])C(C)C CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCO[*:1]
CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C CC(C)[*:1] CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1[*:1]
CN(CC1CCN(C(=O)c2ccnc(F)c2)CC1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(CC1CCN(CC1)C(=O)c1ccnc(F)c1)C(=O)O[*:1]
CN(CC1CCN(C(=O)c2ccnc(F)c2)CC1)C(=O)OC(C)(C)C Fc1cc(ccn1)[*:1] CN(CC1CCN(CC1)C(=O)[*:1])C(=O)OC(C)(C)C
O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1cccc2ccccc12 O=[N+]([O-])[*:1] O=C(CCCn1cnc(n1)[*:1])Nc1cccc2ccccc12
O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1cccc2ccccc12 O=[N+]([O-])c1ncn(n1)[*:1] O=C(CCC[*:1])Nc1cccc2ccccc12
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)c1ccc(c(F)c1)[*:1])C(=O)[O-]
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])c(F)c1 O=C([O-])[*:1] C[C@@H]1[C@H](CCN1C(=O)c1ccc(c(F)c1)[N+](=O)[O-])[*:1]
Nc1c(Nc2ccc(Br)cc2)ncnc1Nc1nccs1 c1csc(n1)N[*:1] Nc1c(ncnc1[*:1])Nc1ccc(Br)cc1
Nc1c(Nc2ccc(Br)cc2)ncnc1Nc1nccs1 c1csc(n1)[*:1] Nc1c(ncnc1N[*:1])Nc1ccc(Br)cc1
Nc1c(Nc2ccc(Br)cc2)ncnc1Nc1nccs1 Brc1ccc(cc1)[*:1] Nc1c(ncnc1N[*:1])Nc1nccs1
C[C@@H]1CCC[C@H](NC(=O)[C@H]2N(C3CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C C1CC1[*:1] C[C@@H]1CCC[C@H](NC(=O)[C@H]2N(C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[*:1])[C@@H]1C
C[C@@H]1CCC[C@H](NC(=O)[C@H]2N(C3CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C O=C(Nc1ccc(Cl)cc1)[*:1] C[C@@H]1CCC[C@H](NC(=O)[C@H]2N(C(=O)[C@H]3[C@@H]([C@H]4C=C[C@]32O4)[*:1])C2CC2)[C@@H]1C
C[C@@H]1CCC[C@H](NC(=O)[C@H]2N(C3CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C Clc1ccc(cc1)[*:1] C[C@@H]1CCC[C@H](NC(=O)[C@H]2N(C(=O)[C@H]3[C@@H](C(=O)N[*:1])[C@H]4C=C[C@]32O4)C2CC2)[C@@H]1C
O=C(NCCn1ncc2ccccc2c1=O)c1c[nH]nc1C1CCCCC1 C1CCC(CC1)[*:1] O=C(NCCn1ncc2ccccc2c1=O)c1c[nH]nc1[*:1]
O=C([O-])CCCn1c(=O)c2ccc3c(=O)[nH]c(=O)c4ccc(c1=O)c2c34 O=C([O-])C[*:1] O=c1[nH]c(=O)c2ccc3c(=O)n(CC[*:1])c(=O)c4ccc1c2c43
O=C([O-])CCCn1c(=O)c2ccc3c(=O)[nH]c(=O)c4ccc(c1=O)c2c34 O=C([O-])CC[*:1] O=c1[nH]c(=O)c2ccc3c(=O)n(C[*:1])c(=O)c4ccc1c2c43
O=C([O-])CCCn1c(=O)c2ccc3c(=O)[nH]c(=O)c4ccc(c1=O)c2c34 O=C([O-])CCC[*:1] O=c1[nH]c(=O)c2ccc3c(=O)n(c(=O)c4ccc1c2c43)[*:1]
O=C([O-])CCCn1c(=O)c2ccc3c(=O)[nH]c(=O)c4ccc(c1=O)c2c34 O=C([O-])[*:1] O=c1[nH]c(=O)c2ccc3c(=O)n(CCC[*:1])c(=O)c4ccc1c2c43
O=C(CCOC1CCOCC1)N[C@H]1CCCc2cc(OC(F)F)ccc21 FC(F)O[*:1] O=C(CCOC1CCOCC1)N[C@H]1CCCc2cc(ccc21)[*:1]
O=C(CCOC1CCOCC1)N[C@H]1CCCc2cc(OC(F)F)ccc21 C1CC(CCO1)[*:1] O=C(CCO[*:1])N[C@H]1CCCc2cc(ccc21)OC(F)F
O=C(CCOC1CCOCC1)N[C@H]1CCCc2cc(OC(F)F)ccc21 C1CC(CCO1)O[*:1] O=C(CC[*:1])N[C@H]1CCCc2cc(ccc21)OC(F)F
O=C(CCOC1CCOCC1)N[C@H]1CCCc2cc(OC(F)F)ccc21 FC(F)[*:1] O=C(CCOC1CCOCC1)N[C@H]1CCCc2cc(ccc21)O[*:1]
O=C(CCOC1CCOCC1)N[C@H]1CCCc2cc(OC(F)F)ccc21 C1CC(CCO1)OC[*:1] O=C(C[*:1])N[C@H]1CCCc2cc(ccc21)OC(F)F
CCOc1cc2c(cc1C[NH2+][C@H](C)[C@@H]1CN(C)CCO1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)C[NH2+][C@H](C)[C@@H]1CN(C)CCO1)[*:1]
Cc1ccc(O)c(C(=O)c2c[nH]c(-c3nnc4n3CCCCC4)c2)c1 Cc1ccc(O)c(c1)[*:1] O=C(c1c[nH]c(c1)-c1nnc2CCCCCn21)[*:1]
C[C@@H](NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)C(C)(C)C CC(C)(C)[*:1] C[C@@H](NC(=O)c1cnn(c1)CC(=O)NC1CCCCC1)[*:1]
C[C@@H](NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)C(C)(C)C C1CCC(CC1)[*:1] C[C@@H](NC(=O)c1cnn(c1)CC(=O)N[*:1])C(C)(C)C
NC(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(F)c(F)c1 NC(=O)[*:1] O=C(CNc1ccc(Cl)cc1[*:1])Nc1ccc(F)c(F)c1
Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)C(C)C)c1 O=C1CCCN1[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)Nc1ccc(c(Cl)c1)[*:1])C(C)C
Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)Nc1ccc(c(Cl)c1)N1CCCC1=O)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1ccc(c(Cl)c1)N1CCCC1=O
Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)C(C)C)c1 Cc1cccc(c1)C(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1ccc(c(Cl)c1)N1CCCC1=O)[*:1]
COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCC2CCCCC2)cc1 C1CCC(CC1)C[*:1] COc1ccc(cc1)-c1n[nH]c(=S)n1CCC(=O)N[*:1]
COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCC2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)-c1n[nH]c(=S)n1CCC(=O)NC[*:1]
COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCC2CCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(CCn1c(n[nH]c1=S)[*:1])NCC1CCCCC1
COC(=O)c1cncc(C(=O)NCc2nc(-c3ccccc3)no2)c1 COC(=O)[*:1] O=C(NCc1nc(no1)-c1ccccc1)c1cncc(c1)[*:1]
COC(=O)c1cncc(C(=O)NCc2nc(-c3ccccc3)no2)c1 c1ccc(cc1)[*:1] COC(=O)c1cncc(c1)C(=O)NCc1nc(no1)[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1cc(C)ccc1C CC(=O)N[*:1] Cc1ccc(C)c(c1)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1[*:1]
COc1cc(N[C@H](C)C(=O)Nc2cccc(F)c2)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])N[C@H](C)C(=O)Nc1cccc(F)c1
COc1cc(N[C@H](C)C(=O)Nc2cccc(F)c2)ccc1NC(C)=O Fc1cccc(c1)[*:1] COc1cc(ccc1NC(C)=O)N[C@H](C)C(=O)N[*:1]
Cc1cc(O[C@H](C)C(=O)NC[C@@H]2CCCO2)ccc1C(C)C C1CO[C@@H](C1)C[*:1] Cc1cc(ccc1C(C)C)O[C@H](C)C(=O)N[*:1]
Cc1cc(O[C@H](C)C(=O)NC[C@@H]2CCCO2)ccc1C(C)C C1CO[C@@H](C1)[*:1] Cc1cc(ccc1C(C)C)O[C@H](C)C(=O)NC[*:1]
Cc1cc(O[C@H](C)C(=O)NC[C@@H]2CCCO2)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])O[C@H](C)C(=O)NC[C@@H]1CCCO1
CCc1nc([C@@H](C)NC(=O)NCc2ccnn2C)cs1 Cn1nccc1[*:1] CCc1nc(cs1)[C@@H](C)NC(=O)NC[*:1]
CC[C@H](C)[C@@H](Nc1ncnc2ccccc12)C(=O)[O-] CC[C@H](C)[*:1] O=C([O-])[C@H](Nc1ncnc2ccccc12)[*:1]
CC[C@H](C)[C@@H](Nc1ncnc2ccccc12)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@@H](Nc1ncnc2ccccc12)[*:1]
COc1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1 COc1ccc(cc1)[*:1] Fc1cccc(c1)Cn1c(nc2ccncc21)SC[*:1]
COc1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)CSc1nc2ccncc2n1C[*:1]
COc1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1 Fc1cccc(c1)C[*:1] COc1ccc(cc1)CSc1nc2ccncc2n1[*:1]
COc1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1 COc1ccc(cc1)C[*:1] Fc1cccc(c1)Cn1c(nc2ccncc21)S[*:1]
CC[C@@H](C)C(=O)Nc1ccc(Br)cc1C(F)(F)F CC[C@@H](C)[*:1] O=C(Nc1ccc(Br)cc1C(F)(F)F)[*:1]
CC[C@@H](C)C(=O)Nc1ccc(Br)cc1C(F)(F)F FC(F)(F)[*:1] CC[C@@H](C)C(=O)Nc1ccc(Br)cc1[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)NCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)NCc1ccccc1[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)NCc1ccccc1[N+](=O)[O-] c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)NCc1ccccc1[N+](=O)[O-])[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 CN(C)S(=O)(=O)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(cc1)[*:1])c1ccco1
CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 c1coc(c1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NC[C@H]([NH+](C)C)[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)[*:1]
CN(C(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccccc1NS(C)(=O)=O)[*:1]
CN(C(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 CS(=O)(=O)N[*:1] CN(C(=O)c1ccccc1[*:1])c1ccccc1
CSCC[C@H](NC(=O)c1ccncc1)c1nnc2ccccn12 c1cc(ccn1)[*:1] CSCC[C@H](NC(=O)[*:1])c1nnc2ccccn12
CSCC[C@H](NC(=O)c1ccncc1)c1nnc2ccccn12 CSCC[*:1] O=C(N[C@H](c1nnc2ccccn12)[*:1])c1ccncc1
CSCC[C@H](NC(=O)c1ccncc1)c1nnc2ccccn12 CSC[*:1] O=C(N[C@@H](C[*:1])c1nnc2ccccn12)c1ccncc1
CC(C)n1cnnc1[S@](=O)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)n1cnnc1[S@](=O)[C@@H](C)C(=O)N[C@@H](C)[*:1]
CC(C)n1cnnc1[S@](=O)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 CC(C)[*:1] C[C@H](NC(=O)[C@H](C)[S@@](=O)c1nncn1[*:1])c1ccc(F)cc1
CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cncc(Br)c1 Brc1cncc(c1)[*:1] CCCN(CC(=O)Nc1ccccc1C)C(=O)[*:1]
CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cncc(Br)c1 Cc1ccccc1[*:1] CCCN(CC(=O)N[*:1])C(=O)c1cncc(Br)c1
CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cncc(Br)c1 CCC[*:1] Cc1ccccc1NC(=O)CN(C(=O)c1cncc(Br)c1)[*:1]
CC(C)[C@H](N[C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 CC(C)[*:1] C[C@@H](N[C@H](c1ccc(Cl)cc1)[*:1])C(=O)NCc1cccs1
CC(C)[C@H](N[C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 c1csc(c1)[*:1] CC(C)[C@H](N[C@H](C)C(=O)NC[*:1])c1ccc(Cl)cc1
CC(C)[C@H](N[C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)[C@H](N[C@H](C)C(=O)NCc1cccs1)[*:1]
CC(C)[C@H](N[C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 c1csc(c1)C[*:1] CC(C)[C@H](N[C@H](C)C(=O)N[*:1])c1ccc(Cl)cc1
CCC(=O)N(C)c1ccccc1C(=O)NCCc1ccc(F)cc1 CCC(=O)N(C)[*:1] O=C(NCCc1ccc(F)cc1)c1ccccc1[*:1]
CCC(=O)N(C)c1ccccc1C(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCC(=O)N(C)c1ccccc1C(=O)NC[*:1]
CCC(=O)N(C)c1ccccc1C(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCC(=O)N(C)c1ccccc1C(=O)NCC[*:1]
N#C[C@H](C(=O)C[C@@H]1CCc2ccccc21)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@H](C(=O)C[C@@H]1CCc2ccccc21)[*:1]
CC(C)(C)OC(=O)N1CCc2cc([N-]S(=O)(=O)CC3CCC3)ccc21 C1CC(C1)[*:1] CC(C)(C)OC(=O)N1CCc2cc(ccc21)[N-]S(=O)(=O)C[*:1]
CC(C)(C)OC(=O)N1CCc2cc([N-]S(=O)(=O)CC3CCC3)ccc21 CC(C)(C)[*:1] O=C(O[*:1])N1CCc2cc(ccc21)[N-]S(=O)(=O)CC1CCC1
CC(C)(C)OC(=O)N1CCc2cc([N-]S(=O)(=O)CC3CCC3)ccc21 C1CC(C1)C[*:1] CC(C)(C)OC(=O)N1CCc2cc(ccc21)[N-]S(=O)(=O)[*:1]
C[C@H](NC(=O)Nc1c[nH]nc1-c1ccccn1)C1CCC1 C[C@H](C1CCC1)[*:1] O=C(Nc1c[nH]nc1-c1ccccn1)N[*:1]
C[C@H](NC(=O)Nc1c[nH]nc1-c1ccccn1)C1CCC1 c1ccc(nc1)[*:1] C[C@H](NC(=O)Nc1c[nH]nc1[*:1])C1CCC1
C[C@H](NC(=O)Nc1c[nH]nc1-c1ccccn1)C1CCC1 C1CC(C1)[*:1] C[C@H](NC(=O)Nc1c[nH]nc1-c1ccccn1)[*:1]
O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1N1CCCC1 Fc1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])Nc1ccccc1N1CCCC1
O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] O=C(CCc1nc(no1)-c1ccc(F)cc1)Nc1ccccc1[*:1]
COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NC4CCCCC4)CC3)[nH]c2c1 C1CCC(CC1)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)[C@@H](C)C(=O)N[*:1]
COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NC4CCCCC4)CC3)[nH]c2c1 O=C(NC1CCCCC1)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)[C@@H](C)[*:1]
CC[C@@H](C)Nc1ncccc1C#N CC[C@@H](C)[*:1] N#Cc1cccnc1N[*:1]
Clc1ccc(Cl)c(-c2ocnc2C[NH2+]C2CC2)c1 C1CC1[*:1] Clc1ccc(Cl)c(c1)-c1ocnc1C[NH2+][*:1]
O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C(NC[C@@H](O)COc1ccc2OCOc2c1)[*:1]
O=C([O-])c1ccccc1-n1ccnn1 O=C([O-])[*:1] c1ccc(c(c1)-n1ccnn1)[*:1]
CCNc1cc(C)ccc1C(=O)NCc1ccnc(C)n1 Cc1nccc(n1)[*:1] CCNc1cc(C)ccc1C(=O)NC[*:1]
CCNc1cc(C)ccc1C(=O)NCc1ccnc(C)n1 CCN[*:1] Cc1ccc(C(=O)NCc2ccnc(C)n2)c(c1)[*:1]
CSC[C@@H](C)OC(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CSC[C@@H](C)OC(=O)c1cc(ccc1Cl)[*:1]
CSC[C@@H](C)OC(=O)c1cc(N2CCCC2=O)ccc1Cl CSC[*:1] C[C@@H](OC(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
CCc1noc(CC)c1CC(=O)N[C@@H](c1ccccc1C)C(C)C CC(C)[*:1] CCc1noc(CC)c1CC(=O)N[C@@H](c1ccccc1C)[*:1]
CCc1noc(CC)c1CC(=O)N[C@@H](c1ccccc1C)C(C)C Cc1ccccc1[*:1] CCc1noc(CC)c1CC(=O)N[C@@H](C(C)C)[*:1]
Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3cccc(Cl)c3)cc12 Clc1cccc(c1)[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)CN(Cc1ccco1)C(=S)N[*:1]
Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3cccc(Cl)c3)cc12 c1coc(c1)[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)CN(C[*:1])C(=S)Nc1cccc(Cl)c1
Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3cccc(Cl)c3)cc12 c1coc(c1)C[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)CN(C(=S)Nc1cccc(Cl)c1)[*:1]
O=C(C[C@@H]1CCCO1)OCc1ccc(-n2ccnc2)nc1 C1CO[C@@H](C1)C[*:1] O=C(OCc1ccc(nc1)-n1ccnc1)[*:1]
O=C(C[C@@H]1CCCO1)OCc1ccc(-n2ccnc2)nc1 C1CO[C@@H](C1)[*:1] O=C(C[*:1])OCc1ccc(nc1)-n1ccnc1
O=C(C[C@@H]1CCCO1)OCc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] O=C(C[C@@H]1CCCO1)OCc1ccc(nc1)[*:1]
Cc1nn(C)c(C)c1OS(=O)(=O)c1cnn(Cc2ccccc2)c1 Cc1nn(C)c(C)c1[*:1] O=S(=O)(O[*:1])c1cnn(c1)Cc1ccccc1
Cc1nn(C)c(C)c1OS(=O)(=O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1OS(=O)(=O)c1cnn(c1)C[*:1]
Cc1nn(C)c(C)c1OS(=O)(=O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1nn(C)c(C)c1OS(=O)(=O)c1cnn(c1)[*:1]
N#Cc1cccc(CS(=O)(=O)N2CCN(C(=O)c3ccoc3)CC2)c1 c1cc(co1)[*:1] N#Cc1cccc(c1)CS(=O)(=O)N1CCN(CC1)C(=O)[*:1]
N#Cc1cccc(CS(=O)(=O)N2CCN(C(=O)c3ccoc3)CC2)c1 N#Cc1cccc(c1)[*:1] O=C(c1ccoc1)N1CCN(CC1)S(=O)(=O)C[*:1]
CCCn1c(C[C@H](O)CCSC)nc2ccccc21 CCC[*:1] CSCC[C@@H](O)Cc1nc2ccccc2n1[*:1]
CCCn1c(C[C@H](O)CCSC)nc2ccccc21 CSCC[*:1] CCCn1c(C[C@H](O)[*:1])nc2ccccc21
CCCn1c(C[C@H](O)CCSC)nc2ccccc21 CSC[*:1] CCCn1c(C[C@H](O)C[*:1])nc2ccccc21
Cc1nn2c(=O)c3c(cc(C)n3CC(=O)Nc3ccc(F)c(C)c3)nc2s1 Cc1cc(ccc1F)[*:1] Cc1nn2c(=O)c3c(cc(C)n3CC(=O)N[*:1])nc2s1
O=C1CCCC[C@H]1[C@@](O)(C(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCC[C@H]1[C@@](O)(C(=O)c1ccccc1)[*:1]
O=C1CCCC[C@H]1[C@@](O)(C(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCC[C@H]1[C@@](O)(C(=O)[*:1])c1ccccc1
C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)c1cccc(c1)[*:1]
C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)c1cccc(N2CCOC2=O)c1 Clc1ccc(s1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1cccc(c1)N1CCOC1=O
O=C(NCCC[NH2+][C@@H]1CCSc2ccc(F)cc21)c1cccs1 c1csc(c1)[*:1] O=C(NCCC[NH2+][C@@H]1CCSc2ccc(F)cc21)[*:1]
NS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 C1CCN(C1)[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(nc1)[*:1]
NS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(nc1)N1CCCC1)c1ccc(cc1)[*:1]
C[C@@H](CC(=O)Nc1cccnc1Cl)NCc1cccc(N(C)C)[nH+]1 Clc1ncccc1[*:1] C[C@@H](CC(=O)N[*:1])NCc1cccc([nH+]1)N(C)C
C[C@@H](CC(=O)Nc1cccnc1Cl)NCc1cccc(N(C)C)[nH+]1 CN(C)[*:1] C[C@@H](CC(=O)Nc1cccnc1Cl)NCc1cccc([nH+]1)[*:1]
O=C(NCc1csc(=O)[nH]1)c1coc(-c2ccccc2)n1 O=c1[nH]c(cs1)[*:1] O=C(NC[*:1])c1coc(n1)-c1ccccc1
O=C(NCc1csc(=O)[nH]1)c1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCc1csc(=O)[nH]1)c1coc(n1)[*:1]
O=C(NCc1csc(=O)[nH]1)c1coc(-c2ccccc2)n1 O=c1[nH]c(cs1)C[*:1] O=C(N[*:1])c1coc(n1)-c1ccccc1
O=C(Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1cccnc1 c1cncc(c1)[*:1] O=C(c1ccc(cc1Cl)NC(=O)[*:1])N1CCOCC1
O=C(Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1cccnc1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1cccnc1
CN(C)C(=O)c1ccc(F)c(NC(=O)CCc2cccc(F)c2F)c1 CN(C)C(=O)[*:1] O=C(CCc1cccc(F)c1F)Nc1cc(ccc1F)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)CCc2cccc(F)c2F)c1 Fc1cccc(c1F)[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)CC[*:1]
COC1CCC(C(C)(C)C)CC1 CC(C)(C)[*:1] COC1CCC(CC1)[*:1]
CCCN(CC#N)C[C@@H](C)c1cccc(Br)c1 N#CC[*:1] CCCN(C[C@@H](C)c1cccc(Br)c1)[*:1]
CCCN(CC#N)C[C@@H](C)c1cccc(Br)c1 CCC[*:1] C[C@H](CN(CC#N)[*:1])c1cccc(Br)c1
O=C(OCc1ccc(Cl)cc1)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 Clc1ccc(cc1)[*:1] O=C(OC[*:1])c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12
O=C(OCc1ccc(Cl)cc1)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 Clc1ccc(cc1)C[*:1] O=C(O[*:1])c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12
O=C(OCc1ccc(Cl)cc1)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 Fc1ccc(cc1)[*:1] O=C(OCc1ccc(Cl)cc1)c1cn(c(=O)c2ccccc12)[*:1]
CC(C)C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)C(=O)N[*:1]
CC(C)C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)C(=O)Nc1nccs1 CC(C)[*:1] C[C@@H]1CC[C@@H](O1)C(=O)N[C@@H](C[*:1])C(=O)Nc1nccs1
CC(C)C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)C(=O)Nc1nccs1 CC(C)C[*:1] C[C@@H]1CC[C@@H](O1)C(=O)N[C@H](C(=O)Nc1nccs1)[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)n2)cc1 Fc1ccc(cc1)[*:1] CC(=O)NCc1ccc(cc1)-c1csc(n1)NC(=O)c1nn(c2CCCc12)[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)n2)cc1 CC(=O)NCc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])c1nn(-c2ccc(F)cc2)c2CCCc12
CC(=O)NCc1ccc(-c2csc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)n2)cc1 CC(=O)NC[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)[*:1])c1nn(-c2ccc(F)cc2)c2CCCc12
CC(=O)NCc1ccc(-c2csc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)n2)cc1 CC(=O)N[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)C[*:1])c1nn(-c2ccc(F)cc2)c2CCCc12
CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(S(=O)(=O)N2CCCC2)C1 CN(C)C(=O)[*:1] O=S(=O)(N1CCCC1)N1CC[C@H](C1)c1c(sc2ccccc12)[*:1]
CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 CCCO[*:1] Cc1nn(-c2ccc(nn2)N2CCOCC2)c2NC(=O)C[C@@H](c3ccc(cc3)[*:1])c12
CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 CCC[*:1] Cc1nn(-c2ccc(nn2)N2CCOCC2)c2NC(=O)C[C@@H](c3ccc(cc3)O[*:1])c12
CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 C1CN(CCO1)[*:1] CCCOc1ccc(cc1)[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(nn1)[*:1]
CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 CCCOc1ccc(cc1)[*:1] Cc1nn(-c2ccc(nn2)N2CCOCC2)c2NC(=O)C[C@H](c12)[*:1]
O=C([O-])c1sccc1S(=O)(=O)N[C@@H]1CONC1=O O=C([O-])[*:1] O=C1NOC[C@H]1NS(=O)(=O)c1ccsc1[*:1]
O=C([O-])c1sccc1S(=O)(=O)N[C@@H]1CONC1=O O=C1NOC[C@H]1[*:1] O=C([O-])c1sccc1S(=O)(=O)N[*:1]
CC(C)[C@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc2c(c1)OCCO2 [O-][n+]1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])c1ccc2OCCOc2c1
CC(C)[C@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc2c(c1)OCCO2 CC(C)[*:1] O=C(N[C@H](c1ccc2OCCOc2c1)[*:1])c1cc[n+]([O-])cc1
CCCc1cc([O-])nc(S[C@@H]2CCCCC[C@@H]2C#N)n1 CCC[*:1] N#C[C@H]1CCCCC[C@H]1Sc1nc([O-])cc(n1)[*:1]
CCCNC(=O)[C@H](C)Oc1c(F)cc(CO)cc1F CCCNC(=O)[*:1] C[C@H](Oc1c(F)cc(cc1F)CO)[*:1]
CCCNC(=O)[C@H](C)Oc1c(F)cc(CO)cc1F CCC[*:1] C[C@H](Oc1c(F)cc(cc1F)CO)C(=O)N[*:1]
CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N[C@@H](C)CO)C1 C[C@@H](CO)N[*:1] CC(=O)N1CCc2c(C1)nc(nc2[*:1])-c1ccccn1
CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N[C@@H](C)CO)C1 c1ccc(nc1)[*:1] CC(=O)N1CCc2c(C1)nc(nc2N[C@@H](C)CO)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 Cc1ccc(cc1[*:1])[N+](=O)[O-] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)c1cccc(c1)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)[*:1]
O=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 c1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])N1CCN(CC1)c1ccc(cn1)S(=O)(=O)N1CCCCC1
O=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 C(=C[*:1])c1ccccc1 O=S(=O)(c1ccc(nc1)N1CCN(CC1)S(=O)(=O)[*:1])N1CCCCC1
O=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 O=S(=O)(N1CCCCC1)[*:1] O=S(=O)(/C=C/c1ccccc1)N1CCN(CC1)c1ccc(cn1)[*:1]
C[C@@H]1CCCN(c2ncnc(N)c2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@@H]1CCCN(C1)c1ncnc(N)c1[*:1]
CC(=O)NC1CC[NH+](Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)CC1 Cc1cccc(c1)[*:1] CC(=O)NC1CC[NH+](CC1)Cc1cc(C)c(OC[*:1])c(C)c1
CC(=O)NC1CC[NH+](Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)CC1 CC(=O)N[*:1] Cc1cccc(c1)COc1c(C)cc(cc1C)C[NH+]1CCC(CC1)[*:1]
CC(=O)NC1CC[NH+](Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)CC1 Cc1cccc(c1)CO[*:1] CC(=O)NC1CC[NH+](CC1)Cc1cc(C)c(c(C)c1)[*:1]
CC(=O)NC1CC[NH+](Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)CC1 Cc1cccc(c1)C[*:1] CC(=O)NC1CC[NH+](CC1)Cc1cc(C)c(O[*:1])c(C)c1
N#CN(CCc1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] N#CN(C[*:1])c1ccc(F)c(c1)[N+](=O)[O-]
N#CN(CCc1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] N#CN(CC[*:1])c1ccc(F)c(c1)[N+](=O)[O-]
N#CN(CCc1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#CN(CCc1ccccc1)c1ccc(F)c(c1)[*:1]
CN(CC(=O)NC(=O)NCc1ccco1)CC(C)(C)C[NH3+] c1coc(c1)C[*:1] CN(CC(=O)NC(=O)N[*:1])CC(C)(C)C[NH3+]
CN(CC(=O)NC(=O)NCc1ccco1)CC(C)(C)C[NH3+] c1coc(c1)[*:1] CN(CC(=O)NC(=O)NC[*:1])CC(C)(C)C[NH3+]
COc1ccc(-c2nnn(-c3ccccc3)c2N)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nnn(c1N)[*:1]
COc1ccc(NC(=O)C[NH+]2CCN(c3ncccn3)CC2)c(OC)c1 c1cnc(nc1)[*:1] COc1ccc(NC(=O)C[NH+]2CCN(CC2)[*:1])c(c1)OC
O=C(N[C@@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(N[C@@H]1CCN(C1)c1ccc(nn1)-c1ccccc1F)[*:1]
O=C(N[C@@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1ccc[nH]1 Fc1ccccc1[*:1] O=C(N[C@@H]1CCN(C1)c1ccc(nn1)[*:1])c1ccc[nH]1
O=C(N[C@@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1ccc[nH]1 O=C(N[*:1])c1ccc[nH]1 Fc1ccccc1-c1ccc(nn1)N1CC[C@H](C1)[*:1]
COc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)SCC(=O)Nc1cc(c(F)cc1F)[*:1]
COc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 COc1ccc(cc1)[*:1] O=C(CS[*:1])Nc1cc(c(F)cc1F)[N+](=O)[O-]
O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCN1C(=O)[*:1]
CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccccc2)C1=S c1ccc(cc1)C[*:1] CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(C1=S)[*:1]
CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccccc2)C1=S Fc1ccc(cc1)[*:1] CCN1C(=O)[C@H](CC(=O)N[*:1])N(Cc2ccccc2)C1=S
CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccccc2)C1=S c1ccc(cc1)[*:1] CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(C[*:1])C1=S
CCCc1noc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)n1 CCC[*:1] Cc1ccc(cc1)NC(=O)Cn1cc(ccc1=O)-c1nc(no1)[*:1]
CCCc1noc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)n1 Cc1ccc(cc1)[*:1] CCCc1noc(n1)-c1ccc(=O)n(c1)CC(=O)N[*:1]
CCCc1noc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)cc3)c2)n1 CCCc1noc(n1)[*:1] Cc1ccc(cc1)NC(=O)Cn1cc(ccc1=O)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)CC(=O)N[*:1])[N+](=O)[O-]
O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=C(NCCNC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccc2ccccc2c1
O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] O=C(NCCNC(=O)[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
Cc1nsc(NCC(C)C)c1C(=O)[O-] CC(C)[*:1] Cc1nsc(NC[*:1])c1C(=O)[O-]
Cc1nsc(NCC(C)C)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NCC(C)C)c1[*:1]
Cc1nsc(NCC(C)C)c1C(=O)[O-] CC(C)C[*:1] Cc1nsc(N[*:1])c1C(=O)[O-]
COC(=O)c1ccc(CSCCO)nc1 OCCS[*:1] COC(=O)c1ccc(C[*:1])nc1
COC(=O)c1ccc(CSCCO)nc1 COC(=O)[*:1] OCCSCc1ccc(cn1)[*:1]
COC(=O)c1ccc(CSCCO)nc1 OCCSC[*:1] COC(=O)c1ccc(nc1)[*:1]
COC(=O)c1ccc(CSCCO)nc1 OCC[*:1] COC(=O)c1ccc(CS[*:1])nc1
Cc1cc(F)cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1 C1CC1[*:1] Cc1cc(F)cc(c1)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2CCCC2(C)C)cc1C Cc1ccc(cc1C)[*:1] CC1(C)CCC[C@H]1NC(=O)NNC(=O)C(=O)N[*:1]
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2cccs2)NC(=S)N1 Clc1cccc(c1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1cccs1
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2cccs2)NC(=S)N1 c1csc(c1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1cccc(Cl)c1)[*:1]
CC(C)CN(CC(C)C)C(=O)NCC(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)CN(CC(C)C)C(=O)NCC(C)(C)[*:1]
CC(C)CN(CC(C)C)C(=O)NCC(C)(C)N1CCOCC1 CC(C)C[*:1] CC(C)CN(C(=O)NCC(C)(C)N1CCOCC1)[*:1]
CC(C)CN(CC(C)C)C(=O)NCC(C)(C)N1CCOCC1 CC(C)[*:1] CC(C)CN(C[*:1])C(=O)NCC(C)(C)N1CCOCC1
CCCCCOc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 CCCC[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(cc1)OC[*:1]
CCCCCOc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 CCC[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(cc1)OCC[*:1]
CCCCCOc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 CCCCCO[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(cc1)[*:1]
CCCCCOc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 CCCCC[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(cc1)O[*:1]
COc1ccccc1/C=N/NC(=O)c1ccc2ccccc2c1O COc1ccccc1[*:1] O=C(NN=C[*:1])c1ccc2ccccc2c1O
CCNC(=O)CCNc1c(-c2cccc(OC)c2)nc2cnccn12 CCNC(=O)[*:1] COc1cccc(c1)-c1nc2cnccn2c1NCC[*:1]
CCNC(=O)CCNc1c(-c2cccc(OC)c2)nc2cnccn12 CCNC(=O)CC[*:1] COc1cccc(c1)-c1nc2cnccn2c1N[*:1]
CCNC(=O)CCNc1c(-c2cccc(OC)c2)nc2cnccn12 CCNC(=O)CCN[*:1] COc1cccc(c1)-c1nc2cnccn2c1[*:1]
CCNC(=O)CCNc1c(-c2cccc(OC)c2)nc2cnccn12 CCNC(=O)C[*:1] COc1cccc(c1)-c1nc2cnccn2c1NC[*:1]
CCNC(=O)CCNc1c(-c2cccc(OC)c2)nc2cnccn12 COc1cccc(c1)[*:1] CCNC(=O)CCNc1c(nc2cnccn12)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)N2CCC(OCCc3ccccc3)CC2)C1 c1ccc(cc1)C[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)N1CCC(CC1)OC[*:1]
CCS[C@H]1CC[C@@H](NC(=O)N2CCC(OCCc3ccccc3)CC2)C1 c1ccc(cc1)CC[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)N1CCC(CC1)O[*:1]
CCS[C@H]1CC[C@@H](NC(=O)N2CCC(OCCc3ccccc3)CC2)C1 c1ccc(cc1)[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)N1CCC(CC1)OCC[*:1]
CCS[C@H]1CC[C@@H](NC(=O)N2CCC(OCCc3ccccc3)CC2)C1 CCS[*:1] O=C(N[C@@H]1CC[C@@H](C1)[*:1])N1CCC(CC1)OCCc1ccccc1
CC[C@@H](O)c1ccc(OCCc2cnn(C)c2)cc1 CC[C@@H](O)[*:1] Cn1cc(cn1)CCOc1ccc(cc1)[*:1]
CC[C@@H](O)c1ccc(OCCc2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] CC[C@@H](O)c1ccc(cc1)OCC[*:1]
CC[C@H](OC1CCCC1)C(=O)N1C[C@H](C)NC(=O)c2ccc(F)cc21 C1CCC(C1)[*:1] CC[C@H](O[*:1])C(=O)N1C[C@H](C)NC(=O)c2ccc(F)cc21
CC[C@H](OC1CCCC1)C(=O)N1C[C@H](C)NC(=O)c2ccc(F)cc21 C1CCC(C1)O[*:1] CC[C@H](C(=O)N1C[C@H](C)NC(=O)c2ccc(F)cc21)[*:1]
CCOc1ccc(CC(=O)Oc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)CC(=O)Oc1cccc(c1)[*:1]
CCOc1ccc(CC(=O)Oc2cccc([N+](=O)[O-])c2)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])Oc1cccc(c1)[N+](=O)[O-]
Cc1[nH+]ccn1[C@@H]1CC[C@](C#N)(NC2CC2)C1 C1CC1N[*:1] Cc1[nH+]ccn1[C@@H]1CC[C@](C#N)(C1)[*:1]
Cc1[nH+]ccn1[C@@H]1CC[C@](C#N)(NC2CC2)C1 C1CC1[*:1] Cc1[nH+]ccn1[C@@H]1CC[C@@](C#N)(C1)N[*:1]
CCC[NH2+]C[C@H](Cc1ccncc1Cl)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCC[NH2+]C[C@H](Cc1ccncc1Cl)[*:1]
CCC[NH2+]C[C@H](Cc1ccncc1Cl)c1ccc(Cl)cc1 Clc1cnccc1[*:1] CCC[NH2+]C[C@H](C[*:1])c1ccc(Cl)cc1
CCC[NH2+]C[C@H](Cc1ccncc1Cl)c1ccc(Cl)cc1 CCC[*:1] Clc1ccc(cc1)[C@H](C[NH2+][*:1])Cc1ccncc1Cl
COc1ccccc1CNC(=O)NCc1ccc(C(N)=O)o1 NC(=O)[*:1] COc1ccccc1CNC(=O)NCc1ccc(o1)[*:1]
Cc1ncccc1C(=O)N[C@H]1COC[C@@]1(C)C(=O)[O-] O=C([O-])[*:1] Cc1ncccc1C(=O)N[C@H]1COC[C@]1(C)[*:1]
C[C@@](CO)(NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 FC(F)(F)[*:1] C[C@@](CO)(NC(=O)N[C@H]1CCN(C[*:1])C1=O)C1CCCCC1
C[C@@](CO)(NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 FC(F)(F)C[*:1] C[C@@](CO)(NC(=O)N[C@H]1CCN(C1=O)[*:1])C1CCCCC1
C[C@@](CO)(NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@](CO)(NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)[*:1]
COCCOc1ccccc1NC(=O)Nc1cc(-c2ncco2)ccc1C COCCO[*:1] Cc1ccc(cc1NC(=O)Nc1ccccc1[*:1])-c1ncco1
COCCOc1ccccc1NC(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] COCCOc1ccccc1NC(=O)Nc1cc(ccc1C)[*:1]
COCCOc1ccccc1NC(=O)Nc1cc(-c2ncco2)ccc1C COCC[*:1] Cc1ccc(cc1NC(=O)Nc1ccccc1O[*:1])-c1ncco1
COCCOc1ccccc1NC(=O)Nc1cc(-c2ncco2)ccc1C COC[*:1] Cc1ccc(cc1NC(=O)Nc1ccccc1OC[*:1])-c1ncco1
CC1(C)CO[C@H](c2ccccc2)CN1Cc1ncc(-c2cccs2)o1 c1ccc(cc1)[*:1] CC1(C)CO[C@H](CN1Cc1ncc(o1)-c1cccs1)[*:1]
CC1(C)CO[C@H](c2ccccc2)CN1Cc1ncc(-c2cccs2)o1 c1csc(c1)[*:1] CC1(C)CO[C@@H](CN1Cc1ncc(o1)[*:1])c1ccccc1
Cc1oc(C(=O)O[C@H](C)c2nccs2)cc1S(=O)(=O)N(C)C c1csc(n1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)O[C@H](C)[*:1]
Cc1oc(C(=O)O[C@H](C)c2nccs2)cc1S(=O)(=O)N(C)C C[C@H](c1nccs1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)O[*:1]
Cc1oc(C(=O)O[C@H](C)c2nccs2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)O[C@H](C)c1nccs1
Cc1ccc(CNS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1 O=c1ccc(n[nH]1)[*:1] Cc1ccc(cc1)CNS(=O)(=O)c1cc(ccc1C)[*:1]
Cc1ccc(CNS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])-c1ccc(=O)[nH]n1
Cc1ccc(CNS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)NC[*:1])-c1ccc(=O)[nH]n1
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)CSCC(F)(F)F)C1 FC(F)(F)CS[*:1] Cc1cc(F)ccc1N1CCC[C@H](C1)NC(=O)C[*:1]
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)CSCC(F)(F)F)C1 FC(F)(F)C[*:1] Cc1cc(F)ccc1N1CCC[C@H](C1)NC(=O)CS[*:1]
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)CSCC(F)(F)F)C1 Cc1cc(F)ccc1[*:1] O=C(CSCC(F)(F)F)N[C@@H]1CCCN(C1)[*:1]
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)CSCC(F)(F)F)C1 FC(F)(F)[*:1] Cc1cc(F)ccc1N1CCC[C@H](C1)NC(=O)CSC[*:1]
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)CSCC(F)(F)F)C1 FC(F)(F)CSC[*:1] Cc1cc(F)ccc1N1CCC[C@H](C1)NC(=O)[*:1]
Cc1cnc(C(=O)N2CCOc3c(O)cc(-c4nc(C)cnc4C)cc3C2)cn1 Cc1cnc(cn1)[*:1] Cc1cnc(C)c(n1)-c1cc(O)c2OCCN(Cc2c1)C(=O)[*:1]
Cc1cnc(C(=O)N2CCOc3c(O)cc(-c4nc(C)cnc4C)cc3C2)cn1 Cc1cnc(C)c(n1)[*:1] Cc1cnc(cn1)C(=O)N1CCOc2c(O)cc(cc2C1)[*:1]
CC(=O)c1cc(C(=O)N2CC(C)(C)Sc3ccccc32)n(C)c1 CC(=O)[*:1] Cn1cc(cc1C(=O)N1CC(C)(C)Sc2ccccc21)[*:1]
CNS(=O)(=O)c1ccc([C@@H](C)NC[C@]2(O)CCc3ccccc32)cc1 CNS(=O)(=O)[*:1] C[C@@H](NC[C@]1(O)CCc2ccccc21)c1ccc(cc1)[*:1]
COc1ccc(CCN2C(=O)O[C@@](C)(c3cccnc3)[C@@]2(C)O)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)CCN1C(=O)O[C@@](C)([C@@]1(C)O)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)CC1CCCC1 C1CCC(C1)[*:1] CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)C[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)CC1CCCC1 C1CCC(C1)C[*:1] CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)CC1CCCC1 CC[C@H](C)[*:1] C[C@@H](CC1CCCC1)C(=O)N[C@H](C)C(=O)N[*:1]
Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)CCO2 C1C[C@H](CO1)[*:1] Cc1cc2OCC[C@@H]([NH2+][C@H](C[*:1])c3ccccc3)c2cc1C
Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)CCO2 c1ccc(cc1)[*:1] Cc1cc2OCC[C@@H]([NH2+][C@H](C[C@@H]3CCOC3)[*:1])c2cc1C
CC1=NC(C)=C(C(=O)N2CCCCC2)[C@H]1S(=O)(=O)NC1CC1 C1CC1[*:1] CC1=NC(C)=C(C(=O)N2CCCCC2)[C@H]1S(=O)(=O)N[*:1]
CC1=NC(C)=C(C(=O)N2CCCCC2)[C@H]1S(=O)(=O)NC1CC1 O=S(=O)(NC1CC1)[*:1] CC1=NC(C)=C(C(=O)N2CCCCC2)[C@@H]1[*:1]
Cc1cc([C@H](O)CC[C@@H]2CCCO2)c(F)cc1F C1CO[C@@H](C1)C[*:1] Cc1cc(c(F)cc1F)[C@H](O)C[*:1]
Cc1cc([C@H](O)CC[C@@H]2CCCO2)c(F)cc1F C1CO[C@@H](C1)[*:1] Cc1cc(c(F)cc1F)[C@H](O)CC[*:1]
NC(=O)CN1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 NC(=O)[*:1] FC(F)(F)Oc1ccc(cc1)C[NH2+]C1CCN(CC1)C[*:1]
NC(=O)CN1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 NC(=O)C[*:1] FC(F)(F)Oc1ccc(cc1)C[NH2+]C1CCN(CC1)[*:1]
NC(=O)CN1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 FC(F)(F)[*:1] NC(=O)CN1CCC(CC1)[NH2+]Cc1ccc(cc1)O[*:1]
NC(=O)CN1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 FC(F)(F)O[*:1] NC(=O)CN1CCC(CC1)[NH2+]Cc1ccc(cc1)[*:1]
Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 Cc1c(Cl)cccc1[*:1] O=C(Cc1ccccc1)Nc1ccc(cc1)C(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1c(Cl)cccc1NC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1c(Br)cccc1CN1C(=O)CN(c2ccccc2)C1=O c1ccc(cc1)[*:1] Cc1c(Br)cccc1CN1C(=O)CN(C1=O)[*:1]
O=C(CCn1cncn1)N[C@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] O=C(CCn1cncn1)N[C@H](c1ccccc1F)[*:1]
O=C(CCn1cncn1)N[C@H](c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] O=C(CCn1cncn1)N[C@H](C1CCCC1)[*:1]
O=C(CCn1cncn1)N[C@H](c1ccccc1F)C1CCCC1 c1ncn(n1)[*:1] O=C(CC[*:1])N[C@H](c1ccccc1F)C1CCCC1
O=C(CCn1cncn1)N[C@H](c1ccccc1F)C1CCCC1 c1ncn(C[*:1])n1 O=C(C[*:1])N[C@H](c1ccccc1F)C1CCCC1
O=C(CCn1cncn1)N[C@H](c1ccccc1F)C1CCCC1 c1ncn(CC[*:1])n1 O=C(N[C@H](c1ccccc1F)C1CCCC1)[*:1]
Cc1nc(CNC(=O)c2cccc(Oc3ccncc3)c2)c(C)s1 Cc1nc(c(C)s1)[*:1] O=C(NC[*:1])c1cccc(c1)Oc1ccncc1
Cc1nc(CNC(=O)c2cccc(Oc3ccncc3)c2)c(C)s1 c1cc(ccn1)O[*:1] Cc1nc(CNC(=O)c2cccc(c2)[*:1])c(C)s1
Cc1nc(CNC(=O)c2cccc(Oc3ccncc3)c2)c(C)s1 c1cc(ccn1)[*:1] Cc1nc(CNC(=O)c2cccc(c2)O[*:1])c(C)s1
Cc1nc(CNC(=O)c2cccc(Oc3ccncc3)c2)c(C)s1 Cc1nc(C[*:1])c(C)s1 O=C(N[*:1])c1cccc(c1)Oc1ccncc1
O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)c1ccccc1Cl)N1CCO[C@H](C1)[*:1]
O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCO[C@H](c2ccc(F)cc2)C1 Clc1ccccc1[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
COc1ccc(CCN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@@H]4[C@H]3C)C2=O)cc1 COc1ccc(cc1)C[*:1] C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)C[*:1]
COc1ccc(CCN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@@H]4[C@H]3C)C2=O)cc1 COc1ccc(cc1)[*:1] C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC[*:1])CC(=O)N21
COc1ccc(CCN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@@H]4[C@H]3C)C2=O)cc1 COc1ccc(cc1)CC[*:1] C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
O=C([O-])Cc1ccc(S(=O)(=O)CC[NH+]2CCCC2)cc1 O=C([O-])[*:1] O=S(=O)(CC[NH+]1CCCC1)c1ccc(cc1)C[*:1]
O=C([O-])Cc1ccc(S(=O)(=O)CC[NH+]2CCCC2)cc1 O=C([O-])C[*:1] O=S(=O)(CC[NH+]1CCCC1)c1ccc(cc1)[*:1]
O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cc2c(s1)CCCC2 Fc1ccc(cc1)[*:1] O=C(NNS(=O)(=O)[*:1])c1cc2CCCCc2s1
CC(C)(C)NC(=O)C[NH+]1CCN(C(=O)CSc2nccc(C(F)(F)F)n2)CC1 CC(C)(C)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)CSc1nccc(n1)C(F)(F)F)N[*:1]
CC(C)(C)NC(=O)C[NH+]1CCN(C(=O)CSc2nccc(C(F)(F)F)n2)CC1 CC(C)(C)NC(=O)[*:1] O=C(CSc1nccc(n1)C(F)(F)F)N1CC[NH+](CC1)C[*:1]
CC(C)(C)NC(=O)C[NH+]1CCN(C(=O)CSc2nccc(C(F)(F)F)n2)CC1 FC(F)(F)[*:1] CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSc1nccc(n1)[*:1]
CC(C)(C)NC(=O)C[NH+]1CCN(C(=O)CSc2nccc(C(F)(F)F)n2)CC1 CC(C)(C)NC(=O)C[*:1] O=C(CSc1nccc(n1)C(F)(F)F)N1CC[NH+](CC1)[*:1]
CCOc1cc(C)ccc1NC(=O)CCn1nc([O-])c2ccccc2c1=O CCO[*:1] Cc1ccc(NC(=O)CCn2nc([O-])c3ccccc3c2=O)c(c1)[*:1]
CCNC(=O)[C@@H](C)NC(=O)CC1([NH3+])CCC1 CCNC(=O)[*:1] C[C@@H](NC(=O)CC1([NH3+])CCC1)[*:1]
Cc1nn(-c2ccccc2)c(CN2CCNC(=O)C2(C)C)c1C#N c1ccc(cc1)[*:1] Cc1nn(c(CN2CCNC(=O)C2(C)C)c1C#N)[*:1]
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2ccc(F)cc2)CC1 c1cnc(nc1)[*:1] C[C@H](C(=O)N1CCN(CC1)[*:1])N1CCN(CC1)c1ccc(F)cc1
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCN(CC1)c1ncccn1)N1CCN(CC1)[*:1]
O=C(Cc1ccc[nH]1)N[C@H](c1ccc(Cl)cc1)c1cccs1 c1csc(c1)[*:1] O=C(Cc1ccc[nH]1)N[C@H](c1ccc(Cl)cc1)[*:1]
O=C(Cc1ccc[nH]1)N[C@H](c1ccc(Cl)cc1)c1cccs1 c1c[nH]c(c1)[*:1] O=C(C[*:1])N[C@H](c1ccc(Cl)cc1)c1cccs1
O=C(Cc1ccc[nH]1)N[C@H](c1ccc(Cl)cc1)c1cccs1 c1c[nH]c(c1)C[*:1] O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)[*:1]
O=C(Cc1ccc[nH]1)N[C@H](c1ccc(Cl)cc1)c1cccs1 Clc1ccc(cc1)[*:1] O=C(Cc1ccc[nH]1)N[C@H](c1cccs1)[*:1]
CCOC(=O)COC(=O)c1cnn2cc(Br)cnc12 CCOC(=O)C[*:1] O=C(O[*:1])c1cnn2cc(Br)cnc12
CCOC(=O)COC(=O)c1cnn2cc(Br)cnc12 CCOC(=O)[*:1] O=C(OC[*:1])c1cnn2cc(Br)cnc12
O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 c1ccc(cc1)C[*:1] O=C1N[C@@H](C(=O)N1CN1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1)[*:1]
O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 c1ccc(cc1)[*:1] O=C1N[C@@H](C[*:1])C(=O)N1CN1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1
O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 c1cc2CCCCc2cc1[*:1] O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCN(CC1)S(=O)(=O)[*:1]
[NH3+][C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1F c1ccc(cc1)[*:1] [NH3+][C@@H]1CCN(C[C@@H]1F)C(=O)OC[*:1]
CCc1nnsc1C(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 CCc1nnsc1[*:1] COc1cc(cc(OC)c1OC)CN1CCN(CC1)C(=O)[*:1]
COC[C@H]1N=[NH+]C(N)=C1c1ccc(F)cc1 COC[*:1] NC1[NH+]=N[C@@H](C=1c1ccc(F)cc1)[*:1]
Cc1ncsc1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 Cc1ncsc1[*:1] NC(=O)c1ccccc1Oc1ccc(cc1)NC(=O)[*:1]
Cc1ncsc1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 NC(=O)[*:1] Cc1ncsc1C(=O)Nc1ccc(cc1)Oc1ccccc1[*:1]
CC(C)(C)Oc1cc(C(=O)N2CCC(CO)CC2)ccn1 CC(C)(C)O[*:1] O=C(c1ccnc(c1)[*:1])N1CCC(CO)CC1
CC(C)(C)Oc1cc(C(=O)N2CCC(CO)CC2)ccn1 CC(C)(C)[*:1] O=C(c1ccnc(c1)O[*:1])N1CCC(CO)CC1
C[NH+](C)CCNc1nc2ccccc2nc1N1CCCCC1 C1CCN(CC1)[*:1] C[NH+](C)CCNc1nc2ccccc2nc1[*:1]
CNC(=O)c1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 CNC(=O)[*:1] O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(cc1)[*:1]
Cc1ccsc1CN1CC[C@@H]([NH+]2CCCCCC2)[C@H](O)C1 Cc1ccsc1C[*:1] O[C@@H]1CN(CC[C@H]1[NH+]1CCCCCC1)[*:1]
Cc1ccsc1CN1CC[C@@H]([NH+]2CCCCCC2)[C@H](O)C1 Cc1ccsc1[*:1] O[C@@H]1CN(CC[C@H]1[NH+]1CCCCCC1)C[*:1]
Cc1ccc(-c2ocnc2C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1ocnc1C(=O)N1CCC(CC1)O[*:1]
Cc1ccc(-c2ocnc2C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1ocnc1C(=O)N1CCC(CC1)OC[*:1]
Cc1ccc(-c2ocnc2C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)CO[*:1] Cc1ccc(cc1)-c1ocnc1C(=O)N1CCC(CC1)[*:1]
Cc1ccc(-c2ocnc2C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ncoc1[*:1])N1CCC(CC1)OCc1ccc(F)cc1
N#Cc1c(-c2ccco2)nn(-c2ccccc2Br)c1N c1coc(c1)[*:1] N#Cc1c(nn(-c2ccccc2Br)c1N)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H](C1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1C[NH2+][C@@H]1CCC[C@@H](C1)C(F)(F)F)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1C[NH2+][C@@H]1CCC[C@@H](C1)C(F)(F)F
Cc1c(-c2cc(C(=O)N3CCC[C@](C)(c4ccccc4)C3)no2)cnn1C Cc1c(cnn1C)[*:1] C[C@@]1(CCCN(C1)C(=O)c1cc(on1)[*:1])c1ccccc1
Cc1c(-c2cc(C(=O)N3CCC[C@](C)(c4ccccc4)C3)no2)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)-c1cc(no1)C(=O)N1CCC[C@](C)(C1)[*:1]
Cc1ccc2nc(CCCl)n(C[C@@H]3CCCO3)c2c1 C1CO[C@@H](C1)[*:1] Cc1ccc2nc(CCCl)n(C[*:1])c2c1
Cc1ccc2nc(CCCl)n(C[C@@H]3CCCO3)c2c1 C1CO[C@@H](C1)C[*:1] Cc1ccc2nc(CCCl)n(c2c1)[*:1]
Cc1ccc2nc(CCCl)n(C[C@@H]3CCCO3)c2c1 ClCC[*:1] Cc1ccc2nc(n(C[C@@H]3CCCO3)c2c1)[*:1]
C[C@H]1CCCC[C@H]1OCC(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] C[C@H]1CCCC[C@H]1OCC(=O)NC[*:1]
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ncccc1[*:1]
Cc1ccc(NC(=O)c2cc3c(=O)[nH]c(=O)n(C[C@H]4CCCO4)c3nc2C)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1nc2c(cc1C(=O)N[*:1])c(=O)[nH]c(=O)n2C[C@H]1CCCO1
Cc1nc(CCN(Cc2ccco2)[C@H]2CS(=O)(=O)C[C@@H]2O)cs1 Cc1nc(cs1)[*:1] O=S1(=O)C[C@H](O)[C@H](C1)N(CC[*:1])Cc1ccco1
Cc1nc(CCN(Cc2ccco2)[C@H]2CS(=O)(=O)C[C@@H]2O)cs1 c1coc(c1)[*:1] Cc1nc(cs1)CCN(C[*:1])[C@H]1CS(=O)(=O)C[C@@H]1O
Cc1nc(CCN(Cc2ccco2)[C@H]2CS(=O)(=O)C[C@@H]2O)cs1 Cc1nc(cs1)C[*:1] O=S1(=O)C[C@H](O)[C@H](C1)N(Cc1ccco1)C[*:1]
Cc1nc(CCN(Cc2ccco2)[C@H]2CS(=O)(=O)C[C@@H]2O)cs1 c1coc(c1)C[*:1] Cc1nc(cs1)CCN([C@H]1CS(=O)(=O)C[C@@H]1O)[*:1]
C[C@@H](S[C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](S[C@@H]1CCN(C1=O)c1sccc1C#N)[*:1]
C[C@@H](S[C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(F)cc1 N#Cc1ccsc1[*:1] C[C@@H](S[C@@H]1CCN(C1=O)[*:1])c1ccc(F)cc1
C[C@H](C(=O)[O-])n1ccc2c(cnc3nc(C4CCCCC4)nn32)c1=O O=C([O-])[*:1] C[C@H](n1ccc2c(cnc3nc(nn32)C2CCCCC2)c1=O)[*:1]
C[C@H](C(=O)[O-])n1ccc2c(cnc3nc(C4CCCCC4)nn32)c1=O C1CCC(CC1)[*:1] C[C@H](C(=O)[O-])n1ccc2c(cnc3nc(nn32)[*:1])c1=O
CC[NH2+][C@@H](C)c1ccc(N(CC)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC[NH2+][C@@H](C)c1ccc(cc1)N(CC)[*:1]
COc1c(C)cnc(CNC(=O)N(C)[C@@H](C)c2cccc(O)c2)c1C Oc1cccc(c1)[*:1] COc1c(C)cnc(CNC(=O)N(C)[C@@H](C)[*:1])c1C
CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@H]3C[C@@H](O)CC[C@@]32C)[C@H]2CC[C@@H](C(C)=O)[C@@]12C CC(=O)[*:1] CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@H]3C[C@@H](O)CC[C@@]32C)[C@H]2CC[C@@H]([C@@]12C)[*:1]
CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@H]3C[C@@H](O)CC[C@@]32C)[C@H]2CC[C@@H](C(C)=O)[C@@]12C CC(=O)O[*:1] CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@H]([C@]12C)[*:1]
Cc1ccc([C@@H](C)NC(=O)C[C@@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)C[C@@H](O)[*:1]
Cc1ccc([C@@H](C)NC(=O)C[C@@H](O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)C[C@@H](O)c1ccccc1)[*:1]
O=C(CCCn1ccnn1)Nc1nc(-c2cc(F)ccc2F)cs1 c1cn(CC[*:1])nn1 O=C(C[*:1])Nc1nc(cs1)-c1cc(F)ccc1F
O=C(CCCn1ccnn1)Nc1nc(-c2cc(F)ccc2F)cs1 c1cn(C[*:1])nn1 O=C(CC[*:1])Nc1nc(cs1)-c1cc(F)ccc1F
O=C(CCCn1ccnn1)Nc1nc(-c2cc(F)ccc2F)cs1 c1cn(nn1)[*:1] O=C(CCC[*:1])Nc1nc(cs1)-c1cc(F)ccc1F
O=C(CCCn1ccnn1)Nc1nc(-c2cc(F)ccc2F)cs1 c1cn(CCC[*:1])nn1 O=C(Nc1nc(cs1)-c1cc(F)ccc1F)[*:1]
O=C(CCCn1ccnn1)Nc1nc(-c2cc(F)ccc2F)cs1 Fc1ccc(F)c(c1)[*:1] O=C(CCCn1ccnn1)Nc1nc(cs1)[*:1]
CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CC=CCC1 CC(=O)N(C)[*:1] O=C(Nc1ccccc1[*:1])C(=O)N[C@@H]1CC=CCC1
COc1ccc([C@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)NCc2cccnc2)c(OC)c1 CC(C)(C)[*:1] COc1ccc(c(c1)OC)[C@H]1CN(C[C@H]1C(=O)NCc1cccnc1)C(=O)N[*:1]
COc1ccc([C@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)NCc2cccnc2)c(OC)c1 O=C(NCc1cccnc1)[*:1] COc1ccc(c(c1)OC)[C@H]1CN(C[C@@H]1[*:1])C(=O)NC(C)(C)C
COc1ccc([C@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)NCc2cccnc2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] CC(C)(C)NC(=O)N1C[C@@H](C(=O)NCc2cccnc2)[C@H](C1)[*:1]
COc1ccc([C@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)NCc2cccnc2)c(OC)c1 c1cncc(c1)C[*:1] COc1ccc(c(c1)OC)[C@H]1CN(C[C@H]1C(=O)N[*:1])C(=O)NC(C)(C)C
COc1ccc([C@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)NCc2cccnc2)c(OC)c1 c1cncc(c1)[*:1] COc1ccc(c(c1)OC)[C@H]1CN(C[C@H]1C(=O)NC[*:1])C(=O)NC(C)(C)C
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1c(C)nn(C)c1C CCS(=O)(=O)C[*:1] Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H](C)[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1c(C)nn(C)c1C CCS(=O)(=O)[*:1] Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H](C)C[*:1]
CN(C)c1ncnc(N2CCN(CCO)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C)c1ncnc(c1[*:1])N1CCN(CCO)CC1
CN(C)c1ncnc(N2CCN(CCO)CC2)c1[N+](=O)[O-] CN(C)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CCO)CC1
CN(C)c1ncnc(N2CCN(CCO)CC2)c1[N+](=O)[O-] OCC[*:1] CN(C)c1ncnc(c1[N+](=O)[O-])N1CCN(CC1)[*:1]
CCc1noc(CC)c1CNC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CCc1noc(CC)c1CNC(=O)N(C)[C@H](C)[*:1]
CCc1noc(CC)c1CNC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1noc(CC)c1CNC(=O)N(C)[C@H](C)C[*:1]
Cc1ccc(OC2CCN(c3cncc(C(N)=O)n3)CC2)cc1 NC(=O)[*:1] Cc1ccc(cc1)OC1CCN(CC1)c1cncc(n1)[*:1]
Cc1ccc(OC2CCN(c3cncc(C(N)=O)n3)CC2)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1cncc(n1)N1CCC(CC1)O[*:1]
CC[C@H](C)NC(=O)c1cc2ccc(OC(=O)c3ccccc3F)cc2oc1=O CC[C@H](C)[*:1] O=C(Oc1ccc2cc(C(=O)N[*:1])c(=O)oc2c1)c1ccccc1F
CC[C@H](C)NC(=O)c1cc2ccc(OC(=O)c3ccccc3F)cc2oc1=O CC[C@H](C)NC(=O)[*:1] O=C(Oc1ccc2cc(c(=O)oc2c1)[*:1])c1ccccc1F
CC[C@H](C)NC(=O)c1cc2ccc(OC(=O)c3ccccc3F)cc2oc1=O Fc1ccccc1[*:1] CC[C@H](C)NC(=O)c1cc2ccc(cc2oc1=O)OC(=O)[*:1]
COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC3(O)CCCC3)C2)cc1 OC1(CCCC1)C[*:1] COc1ccc(cc1)[C@@H]1C[C@H](C)N(C1)C(=O)[*:1]
COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC3(O)CCCC3)C2)cc1 OC1(CCCC1)[*:1] COc1ccc(cc1)[C@@H]1C[C@H](C)N(C1)C(=O)C[*:1]
CN1CCN(c2cccc(Cl)c2C(N)=S)C(C)(C)C1=O NC(=S)[*:1] CN1CCN(c2cccc(Cl)c2[*:1])C(C)(C)C1=O
C[C@@H](O)c1cc(F)ccc1OCc1c[nH+]cn1C C[C@@H](O)[*:1] Cn1c[nH+]cc1COc1ccc(F)cc1[*:1]
CN(CC(=O)NCC(F)(F)F)C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CN(CC(=O)NC[*:1])C(=O)[C@](C)(N)C(F)(F)F
CN(CC(=O)NCC(F)(F)F)C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CN(CC(=O)NCC(F)(F)F)C(=O)[C@](C)(N)[*:1]
CN(CC(=O)NCC(F)(F)F)C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)C[*:1] CN(CC(=O)N[*:1])C(=O)[C@](C)(N)C(F)(F)F
c1ccc(C[N+]23CCC(CC2)C[C@H]3Cc2cccc3ccccc23)cc1 c1ccc(cc1)[*:1] c1ccc2c(cccc2c1)C[C@@H]1CC2CC[N+]1(CC2)C[*:1]
c1ccc(C[N+]23CCC(CC2)C[C@H]3Cc2cccc3ccccc23)cc1 c1ccc(cc1)C[*:1] c1ccc2c(cccc2c1)C[C@@H]1CC2CC[N+]1(CC2)[*:1]
CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(Cl)cc1)=N2 Fc1ccccc1[*:1] CC[NH+]1CCC2(CC1)N=C(SCC(=O)N[*:1])C(=N2)c1ccc(Cl)cc1
CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(Cl)cc1)=N2 Clc1ccc(cc1)[*:1] CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(=N2)[*:1]
CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(Cl)cc1)=N2 O=C(Nc1ccccc1F)[*:1] CC[NH+]1CCC2(CC1)N=C(SC[*:1])C(=N2)c1ccc(Cl)cc1
O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=S(=O)(NCCN1CCN(CC1)c1ccccc1)[*:1]
O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 c1ccc(cc1)[*:1] O=S(=O)(NCCN1CCN(CC1)[*:1])c1ccc(Br)cc1
Cc1ccccc1-c1c([O-])[nH]c(-c2cc(Cl)cs2)nc1=O Clc1csc(c1)[*:1] Cc1ccccc1-c1c([O-])[nH]c(nc1=O)[*:1]
Cc1ccccc1-c1c([O-])[nH]c(-c2cc(Cl)cs2)nc1=O Cc1ccccc1[*:1] O=c1nc([nH]c([O-])c1[*:1])-c1cc(Cl)cs1
CCCn1c(SCC(=O)N(C)C2(C#N)CCCCC2)nc2ccccc2c1=O N#CC1(CCCCC1)[*:1] CCCn1c(nc2ccccc2c1=O)SCC(=O)N(C)[*:1]
CCCn1c(SCC(=O)N(C)C2(C#N)CCCCC2)nc2ccccc2c1=O CCC[*:1] CN(C(=O)CSc1nc2ccccc2c(=O)n1[*:1])C1(C#N)CCCCC1
CC(C)CC[C@H](C)NC(=O)N(C)C[C@@H](C)O C[C@@H](O)C[*:1] CC(C)CC[C@H](C)NC(=O)N(C)[*:1]
CC(C)CC[C@H](C)NC(=O)N(C)C[C@@H](C)O CC(C)C[*:1] C[C@@H](C[*:1])NC(=O)N(C)C[C@@H](C)O
CC(C)CC[C@H](C)NC(=O)N(C)C[C@@H](C)O CC(C)CC[*:1] C[C@H](NC(=O)N(C)C[C@@H](C)O)[*:1]
CC(C)CC[C@H](C)NC(=O)N(C)C[C@@H](C)O CC(C)[*:1] C[C@@H](CC[*:1])NC(=O)N(C)C[C@@H](C)O
CC(C)CC[C@H](C)NC(=O)N(C)C[C@@H](C)O C[C@@H](O)[*:1] CC(C)CC[C@H](C)NC(=O)N(C)C[*:1]
C[NH2+][C@H](Cc1nccn1C)CC(F)(F)F FC(F)(F)C[*:1] C[NH2+][C@H](Cc1nccn1C)[*:1]
C[NH2+][C@H](Cc1nccn1C)CC(F)(F)F FC(F)(F)[*:1] C[NH2+][C@H](Cc1nccn1C)C[*:1]
Cc1ccc(C(=O)N2CCCc3cc(C(=O)NC4CCCC4)ccc32)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)C(=O)N1CCCc2cc(ccc21)C(=O)N[*:1]
Cc1ccc(C(=O)N2CCCc3cc(C(=O)NC4CCCC4)ccc32)cc1 O=C(NC1CCCC1)[*:1] Cc1ccc(cc1)C(=O)N1CCCc2cc(ccc21)[*:1]
Cc1ccc(C(=O)N2CCCc3cc(C(=O)NC4CCCC4)ccc32)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCCC1)c1ccc2c(c1)CCCN2C(=O)[*:1]
Cc1ccc(C)c(-c2nn(C[C@@H](O)COCc3ccccc3F)c(=O)c3ccccc23)c1 Fc1ccccc1C[*:1] Cc1ccc(C)c(c1)-c1nn(C[C@@H](O)CO[*:1])c(=O)c2ccccc12
Cc1ccc(C)c(-c2nn(C[C@@H](O)COCc3ccccc3F)c(=O)c3ccccc23)c1 Fc1ccccc1CO[*:1] Cc1ccc(C)c(c1)-c1nn(C[C@@H](O)C[*:1])c(=O)c2ccccc12
Cc1ccc(C)c(-c2nn(C[C@@H](O)COCc3ccccc3F)c(=O)c3ccccc23)c1 Fc1ccccc1[*:1] Cc1ccc(C)c(c1)-c1nn(C[C@@H](O)COC[*:1])c(=O)c2ccccc12
Cc1ccc(C)c(-c2nn(C[C@@H](O)COCc3ccccc3F)c(=O)c3ccccc23)c1 Cc1ccc(C)c(c1)[*:1] O=c1c2ccccc2c(nn1C[C@@H](O)COCc1ccccc1F)[*:1]
Cc1ccc(C)c(-c2nn(C[C@@H](O)COCc3ccccc3F)c(=O)c3ccccc23)c1 Fc1ccccc1COC[*:1] Cc1ccc(C)c(c1)-c1nn(C[C@@H](O)[*:1])c(=O)c2ccccc12
COc1cc(NCc2cnc(-c3cccnc3)s2)cc(OC)c1 c1cncc(c1)[*:1] COc1cc(cc(c1)OC)NCc1cnc(s1)[*:1]
C[C@H](Oc1ccccc1Cl)C(=O)NN NNC(=O)[*:1] C[C@H](Oc1ccccc1Cl)[*:1]
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)Cc1ccc(F)cc1F CC(C)[*:1] C[C@@H](N(CC(F)(F)F)C(=O)Cc1ccc(F)cc1F)[*:1]
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)Cc1ccc(F)cc1F FC(F)(F)C[*:1] CC(C)[C@@H](C)N(C(=O)Cc1ccc(F)cc1F)[*:1]
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)Cc1ccc(F)cc1F CC(C)[C@@H](C)[*:1] O=C(Cc1ccc(F)cc1F)N(CC(F)(F)F)[*:1]
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)Cc1ccc(F)cc1F FC(F)(F)[*:1] CC(C)[C@@H](C)N(C[*:1])C(=O)Cc1ccc(F)cc1F
C[C@H]1CCCN(C(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)C1 Clc1ccccc1[*:1] C[C@H]1CCCN(C1)C(=O)Cn1c2ccc(F)cc2c2ncn(C[*:1])c(=O)c21
C[C@H]1CCCN(C(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)C1 Clc1ccccc1C[*:1] C[C@H]1CCCN(C1)C(=O)Cn1c2ccc(F)cc2c2ncn(c(=O)c21)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(Br)n2)nc1 Brc1cccc(n1)[*:1] Cc1ccc(nc1)NC(=O)CN(C)C(=O)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(Br)n2)nc1 Cc1ccc(nc1)[*:1] CN(CC(=O)N[*:1])C(=O)c1cccc(Br)n1
CN[C@]1(C(N)=O)CC[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 C[NH+](C)CC[*:1] CN[C@@]1(CC[C@@H](C1)[NH+]1CCN(CC1)[*:1])C(N)=O
CN[C@]1(C(N)=O)CC[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 NC(=O)[*:1] CN[C@@]1(CC[C@@H](C1)[NH+]1CCN(CC[NH+](C)C)CC1)[*:1]
O=C(CCc1nc(-c2nc[nH]n2)no1)N1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(CCc1nc(no1)-c1nc[nH]n1)N1CCO[C@H](C1)[*:1]
COC(=O)[C@H](NC(=O)c1cc(F)ccc1Br)C(C)C COC(=O)[*:1] CC(C)[C@@H](NC(=O)c1cc(F)ccc1Br)[*:1]
COC(=O)[C@H](NC(=O)c1cc(F)ccc1Br)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)c1cc(F)ccc1Br)[*:1]
COc1ccc(C)cc1[C@H](C)[NH2+][C@H](c1cccc(F)c1)c1ccccn1 Fc1cccc(c1)[*:1] COc1ccc(C)cc1[C@H](C)[NH2+][C@H](c1ccccn1)[*:1]
COc1ccc(C)cc1[C@H](C)[NH2+][C@H](c1cccc(F)c1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccc(C)cc1[C@H](C)[NH2+][C@H](c1cccc(F)c1)[*:1]
C[NH+](Cc1cccc(NCc2cccs2)c1)Cc1cscn1 c1nc(cs1)[*:1] C[NH+](Cc1cccc(c1)NCc1cccs1)C[*:1]
C[NH+](Cc1cccc(NCc2cccs2)c1)Cc1cscn1 c1csc(c1)CN[*:1] C[NH+](Cc1cccc(c1)[*:1])Cc1cscn1
C[NH+](Cc1cccc(NCc2cccs2)c1)Cc1cscn1 c1csc(c1)[*:1] C[NH+](Cc1cccc(c1)NC[*:1])Cc1cscn1
C[NH+](Cc1cccc(NCc2cccs2)c1)Cc1cscn1 c1csc(c1)C[*:1] C[NH+](Cc1cccc(c1)N[*:1])Cc1cscn1
Cc1csc(NC(=O)c2cnc3sccn3c2=O)n1 Cc1csc(n1)[*:1] O=C(N[*:1])c1cnc2sccn2c1=O
O=C(NCC1CCN(C(=O)c2ccco2)CC1)c1cnc2sccn2c1=O c1coc(c1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1cnc2sccn2c1=O
CCc1cc([C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 C1CN(CCO1)[*:1] CCc1cc(c(NC(=O)c2ccco2)s1)[C@@H](c1ccc(Cl)cc1)[*:1]
CCc1cc([C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 c1coc(c1)[*:1] CCc1cc(c(NC(=O)[*:1])s1)[C@@H](c1ccc(Cl)cc1)N1CCOCC1
CCc1cc([C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 O=C(N[*:1])c1ccco1 CCc1cc(c(s1)[*:1])[C@@H](c1ccc(Cl)cc1)N1CCOCC1
CCc1cc([C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 Clc1ccc(cc1)[*:1] CCc1cc(c(NC(=O)c2ccco2)s1)[C@@H](N1CCOCC1)[*:1]
CCN(C(=O)Cc1c(F)cccc1F)[C@@H](C)c1cccnc1 c1cncc(c1)[*:1] CCN(C(=O)Cc1c(F)cccc1F)[C@@H](C)[*:1]
CCn1cnc(S(=O)(=O)NC[C@H]2CC[C@@H](C(=O)[O-])O2)c1 O=C([O-])[*:1] CCn1cnc(c1)S(=O)(=O)NC[C@H]1CC[C@@H](O1)[*:1]
COC(=O)c1cc(C(=O)Nc2cccc3cnccc23)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cc(cc(c1)[*:1])C(=O)Nc1cccc2cnccc12
COC(=O)c1cc(C(=O)Nc2cccc3cnccc23)cc([N+](=O)[O-])c1 COC(=O)[*:1] O=C(Nc1cccc2cnccc12)c1cc(cc(c1)[*:1])[N+](=O)[O-]
Cc1n[nH]c(C)c1NC(=O)Nc1cc(F)cc(N2CCCC2)c1 Cc1n[nH]c(C)c1[*:1] O=C(Nc1cc(F)cc(c1)N1CCCC1)N[*:1]
Cc1n[nH]c(C)c1NC(=O)Nc1cc(F)cc(N2CCCC2)c1 C1CCN(C1)[*:1] Cc1n[nH]c(C)c1NC(=O)Nc1cc(F)cc(c1)[*:1]
CCc1nn(C)c(N2CCC[C@@H](CC)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(c1[*:1])N1CCC[C@@H](CC)C1
CCOC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1COc2ccccc2C1
CON(C)c1nc(-c2ccncc2)nc2c1CCC2 c1cc(ccn1)[*:1] CON(C)c1nc(nc2CCCc21)[*:1]
CON(C)c1nc(-c2ccncc2)nc2c1CCC2 CON(C)[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)[*:1]
CCc1c(C(=O)[O-])nnn1C[C@H]1C[C@H]2CC[C@@H]1C2 O=C([O-])[*:1] CCc1c(nnn1C[C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
COc1ccc(/C=C/C(=O)Nc2nnc(C(F)(F)F)s2)cc1F FC(F)(F)[*:1] COc1ccc(/C=C/C(=O)Nc2nnc(s2)[*:1])cc1F
CCCN(CC#N)Cc1nnc(-c2ccccc2F)o1 N#CC[*:1] CCCN(Cc1nnc(o1)-c1ccccc1F)[*:1]
CCCN(CC#N)Cc1nnc(-c2ccccc2F)o1 CCC[*:1] N#CCN(Cc1nnc(o1)-c1ccccc1F)[*:1]
C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2c(C)cc(C)cc21 C#CC[*:1] Cc1cc(C)c2s/c(=N\C(=O)[C@H]3CCCN(C3)S(C)(=O)=O)n(c2c1)[*:1]
Cc1cccnc1NC(=O)Cn1c(C2CCCCC2)nc2ccccc21 Cc1cccnc1[*:1] O=C(Cn1c(nc2ccccc21)C1CCCCC1)N[*:1]
Cc1cccnc1NC(=O)Cn1c(C2CCCCC2)nc2ccccc21 C1CCC(CC1)[*:1] Cc1cccnc1NC(=O)Cn1c(nc2ccccc21)[*:1]
COc1ccccc1C(=O)NCCc1nc2cc(NC(=O)[C@@H]3CCCO3)ccc2n1C COc1ccccc1[*:1] Cn1c(CCNC(=O)[*:1])nc2cc(ccc21)NC(=O)[C@@H]1CCCO1
CC[C@@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccc(Br)cc1 C[C@@H](C1CC1)[*:1] CC[C@@H](NC(=O)N(C)[*:1])c1ccc(Br)cc1
CC[C@@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccc(Br)cc1 C1CC1[*:1] CC[C@@H](NC(=O)N(C)[C@@H](C)[*:1])c1ccc(Br)cc1
CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 CCN(CC)C(=O)[*:1] O=C(Nc1ccccc1)N1CCC[C@H](C1)[*:1]
CCCCNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 CCCC[*:1] N#C[C@H](c1nc2ccccc2nc1N[*:1])S(=O)(=O)c1ccc(F)cc1
CCCCNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 CCC[*:1] N#C[C@H](c1nc2ccccc2nc1NC[*:1])S(=O)(=O)c1ccc(F)cc1
CCCCNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 CCCCN[*:1] N#C[C@H](c1nc2ccccc2nc1[*:1])S(=O)(=O)c1ccc(F)cc1
CCCCNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCCNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)[*:1]
Cc1cc(C)nc(SCc2nc(C(c3ccccc3)c3ccccc3)no2)n1 Cc1cc(C)nc(n1)[*:1] c1ccc(cc1)C(c1ccccc1)c1noc(CS[*:1])n1
Cc1cc(C)nc(SCc2nc(C(c3ccccc3)c3ccccc3)no2)n1 Cc1cc(C)nc(n1)S[*:1] c1ccc(cc1)C(c1ccccc1)c1noc(C[*:1])n1
Cc1cc(C)nc(SCc2nc(C(c3ccccc3)c3ccccc3)no2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)SCc1nc(no1)C(c1ccccc1)[*:1]
COc1ccc(C(C)=O)c(OCC(=O)N(C)CC(F)(F)F)c1 FC(F)(F)C[*:1] COc1ccc(C(C)=O)c(c1)OCC(=O)N(C)[*:1]
COc1ccc(C(C)=O)c(OCC(=O)N(C)CC(F)(F)F)c1 CC(=O)[*:1] COc1ccc(c(c1)OCC(=O)N(C)CC(F)(F)F)[*:1]
COc1ccc(C(C)=O)c(OCC(=O)N(C)CC(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(C(C)=O)c(c1)OCC(=O)N(C)C[*:1]
CC(=O)CCc1ccc(OCC(=O)Nc2ccn(C)n2)cc1 CC(=O)C[*:1] Cn1ccc(n1)NC(=O)COc1ccc(cc1)C[*:1]
CC(=O)CCc1ccc(OCC(=O)Nc2ccn(C)n2)cc1 CC(=O)CC[*:1] Cn1ccc(n1)NC(=O)COc1ccc(cc1)[*:1]
CC(=O)CCc1ccc(OCC(=O)Nc2ccn(C)n2)cc1 Cn1ccc(n1)[*:1] CC(=O)CCc1ccc(cc1)OCC(=O)N[*:1]
CC(=O)CCc1ccc(OCC(=O)Nc2ccn(C)n2)cc1 CC(=O)[*:1] Cn1ccc(n1)NC(=O)COc1ccc(cc1)CC[*:1]
COCc1cccc(N[C@H]2CCN(c3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] COCc1cccc(c1)N[C@H]1CCN(C1=O)[*:1]
COCc1cccc(N[C@H]2CCN(c3ccccc3)C2=O)c1 COC[*:1] O=C1[C@H](CCN1c1ccccc1)Nc1cccc(c1)[*:1]
Cc1ccc(NC(=O)C(=O)N(C)CCC(C)(C)O)c(C)c1 CC(C)(O)[*:1] Cc1ccc(NC(=O)C(=O)N(C)CC[*:1])c(C)c1
Cc1ccc(NC(=O)C(=O)N(C)CCC(C)(C)O)c(C)c1 CC(C)(O)C[*:1] Cc1ccc(NC(=O)C(=O)N(C)C[*:1])c(C)c1
Cc1ccc(NC(=O)C(=O)N(C)CCC(C)(C)O)c(C)c1 CC(C)(O)CC[*:1] Cc1ccc(NC(=O)C(=O)N(C)[*:1])c(C)c1
CCN(C(=O)CNc1cccc(C(N)=O)c1C)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CNc1cccc(C(N)=O)c1C)[*:1]
CCN(C(=O)CNc1cccc(C(N)=O)c1C)c1ccccc1 NC(=O)[*:1] CCN(C(=O)CNc1cccc(c1C)[*:1])c1ccccc1
CC(C)C(=O)Nc1ccc(NC(=O)N(C)Cc2cccs2)cc1 c1csc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)N(C)C[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)N(C)Cc2cccs2)cc1 CC(C)C(=O)N[*:1] CN(Cc1cccs1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)N(C)Cc2cccs2)cc1 c1csc(c1)C[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)N(C)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)N(C)Cc2cccs2)cc1 CC(C)[*:1] CN(Cc1cccs1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCCCCC[N+]1=c2ccccc2=C(O)C(=C2NC(=O)c3ccccc3N2)C1=O CCC[*:1] O=C1NC(Nc2ccccc21)=C1C(=O)[N+](CCC[*:1])=c2ccccc2=C1O
CCCCCC[N+]1=c2ccccc2=C(O)C(=C2NC(=O)c3ccccc3N2)C1=O CCCCCC[*:1] O=C1NC(Nc2ccccc21)=C1C(=O)[N+](=c2ccccc2=C1O)[*:1]
CCCCCC[N+]1=c2ccccc2=C(O)C(=C2NC(=O)c3ccccc3N2)C1=O CCCCC[*:1] O=C1NC(Nc2ccccc21)=C1C(=O)[N+](C[*:1])=c2ccccc2=C1O
CCCCCC[N+]1=c2ccccc2=C(O)C(=C2NC(=O)c3ccccc3N2)C1=O CCCC[*:1] O=C1NC(Nc2ccccc21)=C1C(=O)[N+](CC[*:1])=c2ccccc2=C1O
CCCC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2nc(C)cs2)C1 Cc1csc(n1)[*:1] CCCC(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2nc(C)cs2)C1 CCC[*:1] Cc1csc(n1)[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(N2CCN(Cc3ccc(Cl)nc3)CC2)ncc1[N+](=O)[O-] Clc1ccc(cn1)C[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCN(CC1)[*:1]
Cc1cc(N2CCN(Cc3ccc(Cl)nc3)CC2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CCN(CC1)Cc1ccc(Cl)nc1
Cc1cc(N2CCN(Cc3ccc(Cl)nc3)CC2)ncc1[N+](=O)[O-] Clc1ccc(cn1)[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCN(CC1)C[*:1]
CC(C)(O)CNC(=O)[C@H]1C=C[C@@H]([NH3+])C1 CC(C)(O)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)NC[*:1]
CS[C@H]1CC[C@H](NC(=O)CCc2ccncc2)C1 c1cc(ccn1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)CC[*:1]
CCCOc1ccc(NC(=O)N[C@@](C)(CO)C2CC2)c(C)c1 C1CC1[*:1] CCCOc1ccc(NC(=O)N[C@@](C)(CO)[*:1])c(C)c1
CCCOc1ccc(NC(=O)N[C@@](C)(CO)C2CC2)c(C)c1 CCCO[*:1] Cc1cc(ccc1NC(=O)N[C@@](C)(CO)C1CC1)[*:1]
CCCOc1ccc(NC(=O)N[C@@](C)(CO)C2CC2)c(C)c1 CCC[*:1] Cc1cc(ccc1NC(=O)N[C@@](C)(CO)C1CC1)O[*:1]
CN(C)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)OCO3)C(=O)CS2 c1cc2OCOc2cc1[*:1] CN(C)C(=O)c1ccc2SCC(=O)N(CC(=O)N[*:1])c2c1
CN(C)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)OCO3)C(=O)CS2 CN(C)C(=O)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)[*:1])Nc1ccc2OCOc2c1
CC(C)c1ccccc1OCC(=O)Nc1nc2c(F)cccc2s1 CC(C)[*:1] O=C(COc1ccccc1[*:1])Nc1nc2c(F)cccc2s1
O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21)Nc1cccc(Cl)c1 O=S(=O)(c1ccc(F)cc1)[*:1] O=C(Cn1cc(c(=O)c2cc(F)ccc21)[*:1])Nc1cccc(Cl)c1
O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cn1cc(c(=O)c2cc(F)ccc21)S(=O)(=O)c1ccc(F)cc1)N[*:1]
O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21)Nc1cccc(Cl)c1 O=C(Nc1cccc(Cl)c1)[*:1] O=c1c(cn(C[*:1])c2ccc(F)cc12)S(=O)(=O)c1ccc(F)cc1
O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21)Nc1cccc(Cl)c1 Fc1ccc(cc1)[*:1] O=C(Cn1cc(c(=O)c2cc(F)ccc21)S(=O)(=O)[*:1])Nc1cccc(Cl)c1
O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21)Nc1cccc(Cl)c1 O=C(C[*:1])Nc1cccc(Cl)c1 O=c1c(cn(c2ccc(F)cc12)[*:1])S(=O)(=O)c1ccc(F)cc1
CC[C@@H]1CO[C@](C)(CCC(C)C)N1Cc1nnc(-c2ccccc2)o1 CC(C)[*:1] CC[C@@H]1CO[C@](C)(CC[*:1])N1Cc1nnc(o1)-c1ccccc1
CC[C@@H]1CO[C@](C)(CCC(C)C)N1Cc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] CC[C@@H]1CO[C@](C)(CCC(C)C)N1Cc1nnc(o1)[*:1]
CC[C@@H]1CO[C@](C)(CCC(C)C)N1Cc1nnc(-c2ccccc2)o1 CC(C)CC[*:1] CC[C@@H]1CO[C@](C)(N1Cc1nnc(o1)-c1ccccc1)[*:1]
CC[C@@H]1CO[C@](C)(CCC(C)C)N1Cc1nnc(-c2ccccc2)o1 CC(C)C[*:1] CC[C@@H]1CO[C@](C)(C[*:1])N1Cc1nnc(o1)-c1ccccc1
C[C@@H]1CC[C@@H](C(C)(C)CCSc2ccccc2)[C@H]([NH3+])C1 c1ccc(cc1)[*:1] C[C@@H]1CC[C@H]([C@H]([NH3+])C1)C(C)(C)CCS[*:1]
C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1cccnc1 Brc1ccc(cc1)[*:1] C[C@H]([NH2+]CCC(=O)N[*:1])c1cccnc1
C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1cccnc1 c1cncc(c1)[*:1] C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)[*:1]
ClCC/C=C/[C@@H]1CCCc2cccnc21 ClCC[*:1] C(=C[*:1])[C@@H]1CCCc2cccnc21
ClCC/C=C/[C@@H]1CCCc2cccnc21 ClCCC=C[*:1] c1cnc2c(c1)CCC[C@H]2[*:1]
COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)c(F)c3)sc2c1 Fc1ccc(cc1F)[*:1] COc1ccc2nc(sc2c1)-n1nc(C)c2c1NC(=O)C[C@H]2[*:1]
c1ccc(SCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 c1ccc(cc1)S[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCCC[C@H]1[NH2+]CC[*:1]
c1ccc(SCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 c1ccc(cc1)[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCCC[C@H]1[NH2+]CCS[*:1]
O=C(NNC(=S)NCc1cccs1)c1ccccc1O c1csc(c1)C[*:1] O=C(NNC(=S)N[*:1])c1ccccc1O
O=C(NNC(=S)NCc1cccs1)c1ccccc1O c1csc(c1)[*:1] O=C(NNC(=S)NC[*:1])c1ccccc1O
C[C@@H]([NH2+]C(c1cccs1)c1cccs1)c1nc2ccccc2n1C c1csc(c1)[*:1] C[C@@H]([NH2+]C(c1cccs1)[*:1])c1nc2ccccc2n1C
C[C@@H](C(=O)N1CCOC[C@H]1C1CC1)c1ccsc1 C1CC1[*:1] C[C@@H](C(=O)N1CCOC[C@@H]1[*:1])c1ccsc1
C[C@@H](C(=O)N1CCOC[C@H]1C1CC1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)N1CCOC[C@H]1C1CC1)[*:1]
COC(=O)[C@@]1(N)CC[C@H](n2cc(C)cn2)C1 COC(=O)[*:1] Cc1cnn(c1)[C@H]1CC[C@](N)(C1)[*:1]
CC(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc3ccccc3n2C)C1 CC(C)[*:1] C[C@@H]([NH2+][C@@H]1CCN(C1)C(=O)[*:1])c1nc2ccccc2n1C
Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)CSc1nnc(C)o1 Cc1nnc(o1)SC[*:1] Cc1ccc2c(c1)c(=O)cc(n2C[C@@H](C)NC(=O)[*:1])C(F)(F)F
Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)CSc1nnc(C)o1 Cc1nnc(o1)[*:1] Cc1ccc2c(c1)c(=O)cc(n2C[C@@H](C)NC(=O)CS[*:1])C(F)(F)F
Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)CSc1nnc(C)o1 FC(F)(F)[*:1] Cc1ccc2c(c1)c(=O)cc(n2C[C@@H](C)NC(=O)CSc1nnc(C)o1)[*:1]
Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)CSc1nnc(C)o1 Cc1nnc(o1)S[*:1] Cc1ccc2c(c1)c(=O)cc(n2C[C@@H](C)NC(=O)C[*:1])C(F)(F)F
COC[C@@H](C)CC(=O)N1CCC[C@H](C[NH3+])C1 COC[*:1] C[C@@H](CC(=O)N1CCC[C@H](C[NH3+])C1)[*:1]
COC[C@@H](C)CC(=O)N1CCC[C@H](C[NH3+])C1 COC[C@@H](C)[*:1] [NH3+]C[C@H]1CCCN(C1)C(=O)C[*:1]
NC(=S)c1ccc(C(=O)NCCCS(=O)(=O)c2ccccc2)cc1 NC(=S)[*:1] O=C(NCCCS(=O)(=O)c1ccccc1)c1ccc(cc1)[*:1]
NC(=S)c1ccc(C(=O)NCCCS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=S)c1ccc(cc1)C(=O)NCCCS(=O)(=O)[*:1]
N#Cc1ccnc(N2CCN(S(=O)(=O)N3CCCCCC3)CC2)c1 N#Cc1ccnc(c1)[*:1] O=S(=O)(N1CCCCCC1)N1CCN(CC1)[*:1]
CCCN(C(=O)NCC(=O)[O-])C(C)C O=C([O-])[*:1] CCCN(C(=O)NC[*:1])C(C)C
CCCN(C(=O)NCC(=O)[O-])C(C)C CCC[*:1] CC(C)N(C(=O)NCC(=O)[O-])[*:1]
CCCN(C(=O)NCC(=O)[O-])C(C)C O=C([O-])C[*:1] CCCN(C(=O)N[*:1])C(C)C
CCCN(C(=O)NCC(=O)[O-])C(C)C CC(C)[*:1] CCCN(C(=O)NCC(=O)[O-])[*:1]
CCOc1ccccc1/C=N/N=C(/c1cccc([N+](=O)[O-])c1)C12CN3CN(C[NH+](C3)C1)C2 O=[N+]([O-])[*:1] CCOc1ccccc1/C=N/N=C(/c1cccc(c1)[*:1])C12CN3CN(C[NH+](C3)C1)C2
CCOc1ccccc1/C=N/N=C(/c1cccc([N+](=O)[O-])c1)C12CN3CN(C[NH+](C3)C1)C2 CCO[*:1] O=[N+]([O-])c1cccc(c1)/C(=N/N=C/c1ccccc1[*:1])C12CN3CN(C[NH+](C3)C1)C2
CCOc1ccccc1/C=N/N=C(/c1cccc([N+](=O)[O-])c1)C12CN3CN(C[NH+](C3)C1)C2 CCOc1ccccc1[*:1] O=[N+]([O-])c1cccc(c1)/C(=N/N=C[*:1])C12CN3CN(C[NH+](C3)C1)C2
CCOc1ccccc1/C=N/N=C(/c1cccc([N+](=O)[O-])c1)C12CN3CN(C[NH+](C3)C1)C2 O=[N+]([O-])c1cccc(c1)[*:1] CCOc1ccccc1/C=N/N=C(\C12CN3CN(C[NH+](C3)C1)C2)[*:1]
CC[C@H](C)C(=O)NCC(=O)N1CCCc2cc(C(C)C)ccc21 CC[C@H](C)[*:1] CC(C)c1ccc2c(c1)CCCN2C(=O)CNC(=O)[*:1]
CC[C@H](C)C(=O)NCC(=O)N1CCCc2cc(C(C)C)ccc21 CC[C@H](C)C(=O)N[*:1] CC(C)c1ccc2c(c1)CCCN2C(=O)C[*:1]
CC[C@H](C)C(=O)NCC(=O)N1CCCc2cc(C(C)C)ccc21 CC(C)[*:1] CC[C@H](C)C(=O)NCC(=O)N1CCCc2cc(ccc21)[*:1]
O=C(C1CCCCC1)[C@@H]1CCCc2cccnc21 C1CCC(CC1)[*:1] O=C([C@@H]1CCCc2cccnc21)[*:1]
Cc1ccc(C)c(CC(=O)Nc2cnn(C(C)(C)C)c2)c1 CC(C)(C)[*:1] Cc1ccc(C)c(c1)CC(=O)Nc1cnn(c1)[*:1]
Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(F)cc1)C1=C(N2)c2ccccc2C1=O Fc1ccc(cc1)[*:1] Cn1c2NC3=C(C(=O)c4ccccc43)[C@H](c2c(=O)[nH]c1=O)[*:1]
C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1ccccc1 CC(C)(C)[*:1] C[C@@H](CNC(=O)[C@H](C)NC(=O)[*:1])Nc1ccccc1
C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)[*:1]
C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N[*:1]
C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1ccccc1 CC(C)(C)C(=O)N[*:1] C[C@@H](CNC(=O)[C@H](C)[*:1])Nc1ccccc1
CC(C)[C@@](C)(O)CNC(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1 CC(C)[*:1] C[C@@H](CC(=O)NC[C@@](C)(O)[*:1])S(=O)(=O)c1ccc(F)cc1
CC(C)[C@@](C)(O)CNC(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@](C)(O)CNC(=O)C[C@H](C)S(=O)(=O)[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1Br CCO[*:1] Cc1c(cccc1C(=O)[O-])NC(=S)NC(=O)c1ccc(c(Br)c1)[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1Br O=C([O-])[*:1] CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1cccc(c1C)[*:1]
CC(=C/c1ccccc1)/C=N/N1CCN(Cc2ccc(C)cc2)CC1 c1ccc(cc1)[*:1] CC(=C[*:1])/C=N/N1CCN(CC1)Cc1ccc(C)cc1
CC(=C/c1ccccc1)/C=N/N1CCN(Cc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CC(=C/c1ccccc1)/C=N/N1CCN(CC1)C[*:1]
CC(=C/c1ccccc1)/C=N/N1CCN(Cc2ccc(C)cc2)CC1 Cc1ccc(cc1)C[*:1] CC(=C/c1ccccc1)/C=N/N1CCN(CC1)[*:1]
CC[C@H](C)NC(=O)c1sc2nc(-c3ccccc3)cn2c1C CC[C@H](C)[*:1] Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)N[*:1]
CC[C@H](C)NC(=O)c1sc2nc(-c3ccccc3)cn2c1C CC[C@H](C)NC(=O)[*:1] Cc1c(sc2nc(cn12)-c1ccccc1)[*:1]
CC[C@H](C)NC(=O)c1sc2nc(-c3ccccc3)cn2c1C c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1sc2nc(cn2c1C)[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)C1 C1CC1[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)Nc1ccc(Cl)c(c1)C(=O)N[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)C1 O=C(NC1CC1)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)Nc1ccc(Cl)c(c1)[*:1]
O=C(NCCn1ncc2c(N3CCCCC3)ncnc21)c1cnccn1 c1cnc(cn1)[*:1] O=C(NCCn1ncc2c(ncnc21)N1CCCCC1)[*:1]
O=C(NCCn1ncc2c(N3CCCCC3)ncnc21)c1cnccn1 C1CCN(CC1)[*:1] O=C(NCCn1ncc2c(ncnc21)[*:1])c1cnccn1
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)N1CCc2ccccc21)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C([C@H]1CCCc2sc(nc21)NC(=O)[*:1])N1CCc2ccccc21
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)N1CCc2ccccc21)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 O=C([C@H]1CCCc2sc(nc21)[*:1])N1CCc2ccccc21
COCc1ccccc1/C([O-])=N/S(=O)(=O)c1ccc2c(c1)CCC2 COC[*:1] O=S(=O)(/N=C(\[O-])c1ccccc1[*:1])c1ccc2CCCc2c1
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)s1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 Clc1ccc(s1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
N#C[C@H](C(=O)[C@@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 FC(F)(F)[*:1] N#C[C@H](C(=O)[C@@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1)c1nc2cc(ccc2s1)[*:1]
N#C[C@H](C(=O)[C@@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 Clc1ccc(cc1)[*:1] N#C[C@H](C(=O)[C@@H]1CCC(=O)N1C(=O)[*:1])c1nc2cc(ccc2s1)C(F)(F)F
Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCOCC2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1ccc2OCOc2c1
Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)c1ccc2OCOc2c1)[*:1]
CC(C)[C@@H](NC(=O)CS(=O)(=O)c1cccc(F)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CS(=O)(=O)c1cccc(F)c1)[*:1]
CC(C)[C@@H](NC(=O)CS(=O)(=O)c1cccc(F)c1)c1ccccc1 CC(C)[*:1] O=C(CS(=O)(=O)c1cccc(F)c1)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)CS(=O)(=O)c1cccc(F)c1)c1ccccc1 Fc1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)CS(=O)(=O)[*:1])c1ccccc1
CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 c1ccc(cc1)C[*:1] CN(C(=O)c1cccc(c1)S(=O)(=O)N1CCNC(=O)C1)[*:1]
CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)S(=O)(=O)N1CCNC(=O)C1
COC(=O)C[C@H](C)NC(=O)Nc1nn(-c2ccccc2Cl)cc1C COC(=O)C[C@H](C)[*:1] Cc1cn(nc1NC(=O)N[*:1])-c1ccccc1Cl
COC(=O)C[C@H](C)NC(=O)Nc1nn(-c2ccccc2Cl)cc1C COC(=O)C[*:1] Cc1cn(nc1NC(=O)N[C@@H](C)[*:1])-c1ccccc1Cl
COC(=O)C[C@H](C)NC(=O)Nc1nn(-c2ccccc2Cl)cc1C Clc1ccccc1[*:1] COC(=O)C[C@H](C)NC(=O)Nc1nn(cc1C)[*:1]
COC(=O)C[C@H](C)NC(=O)Nc1nn(-c2ccccc2Cl)cc1C COC(=O)[*:1] Cc1cn(nc1NC(=O)N[C@@H](C)C[*:1])-c1ccccc1Cl
Cc1n[nH]cc1C(=O)N1CCC[C@@H](n2nnc3cc(F)ccc32)C1 Cc1n[nH]cc1[*:1] O=C(N1CCC[C@H](C1)n1nnc2cc(F)ccc21)[*:1]
O=C(CCc1ccccc1)NNC(=S)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CC[*:1])NNC(=S)Nc1ccccc1
O=C(CCc1ccccc1)NNC(=S)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1ccccc1)NNC(=S)N[*:1]
O=C(CCc1ccccc1)NNC(=S)Nc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[*:1])NNC(=S)Nc1ccccc1
C[C@@H](Cc1nc2ccccc2s1)[NH2+]CCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](Cc1nc2ccccc2s1)[NH2+]CCc1cccc(c1)[*:1]
Cc1c(C(=O)NCc2ccc(C(=O)Nc3ccccc3)cc2)nc2cccc(Cl)n12 c1ccc(cc1)[*:1] Cc1c(nc2cccc(Cl)n12)C(=O)NCc1ccc(cc1)C(=O)N[*:1]
Cc1c(C(=O)NCc2ccc(C(=O)Nc3ccccc3)cc2)nc2cccc(Cl)n12 O=C(Nc1ccccc1)[*:1] Cc1c(nc2cccc(Cl)n12)C(=O)NCc1ccc(cc1)[*:1]
CCCC(CCC)c1ccccn1 CCC[*:1] CCCC(c1ccccn1)[*:1]
O=C(c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1)N1CCC1 c1cncc(c1)[*:1] O=C(c1ccc(cc1)OC1CCN(CC1)C(=O)[*:1])N1CCC1
O=C(c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1)N1CCC1 O=C(N1CCC1)[*:1] O=C(c1cccnc1)N1CCC(CC1)Oc1ccc(cc1)[*:1]
CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(C#N)cn1C CCC[*:1] Cn1cc(C#N)cc1C(=O)N(C[C@H]1COc2ccccc2O1)[*:1]
CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(C#N)cn1C Cn1cc(C#N)cc1[*:1] CCCN(C[C@H]1COc2ccccc2O1)C(=O)[*:1]
Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)c2)n1 Cc1cc(C)n(C[*:1])n1 CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(c1)[*:1]
Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)c2)n1 Cc1cc(C)n(n1)[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(c1)C[*:1]
N#C/C(=C\Nc1ccccc1Cl)S(=O)(=O)c1ccccn1 Clc1ccccc1[*:1] N#C/C(=C\N[*:1])S(=O)(=O)c1ccccn1
N#C/C(=C\Nc1ccccc1Cl)S(=O)(=O)c1ccccn1 c1ccc(nc1)[*:1] N#C/C(=C\Nc1ccccc1Cl)S(=O)(=O)[*:1]
Cn1c(SCc2ccccc2)nc(=O)c2c1NC(=O)C[C@H]2c1cccc(O)c1 Oc1cccc(c1)[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@@H]2[*:1])SCc1ccccc1
Cn1c(SCc2ccccc2)nc(=O)c2c1NC(=O)C[C@H]2c1cccc(O)c1 c1ccc(cc1)C[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2c1cccc(O)c1)S[*:1]
Cn1c(SCc2ccccc2)nc(=O)c2c1NC(=O)C[C@H]2c1cccc(O)c1 c1ccc(cc1)CS[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2c1cccc(O)c1)[*:1]
Cn1c(SCc2ccccc2)nc(=O)c2c1NC(=O)C[C@H]2c1cccc(O)c1 c1ccc(cc1)[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2c1cccc(O)c1)SC[*:1]
CCOc1cc(C(F)(F)F)nc([C@@H](C)C[NH3+])n1 CCO[*:1] C[C@@H](C[NH3+])c1nc(cc(n1)[*:1])C(F)(F)F
CCOc1cc(C(F)(F)F)nc([C@@H](C)C[NH3+])n1 FC(F)(F)[*:1] CCOc1cc(nc(n1)[C@@H](C)C[NH3+])[*:1]
Cc1nnc([C@@H](C)O/N=C(\c2ccccc2)c2ccco2)o1 c1coc(c1)[*:1] Cc1nnc(o1)[C@@H](C)ON=C(c1ccccc1)[*:1]
Cc1nnc([C@@H](C)O/N=C(\c2ccccc2)c2ccco2)o1 c1ccc(cc1)[*:1] Cc1nnc(o1)[C@@H](C)O/N=C(/c1ccco1)[*:1]
Cc1nnc([C@@H](C)O/N=C(\c2ccccc2)c2ccco2)o1 Cc1nnc(o1)[*:1] C[C@@H](O/N=C(\c1ccccc1)c1ccco1)[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1ccc(OCc2cccnc2)cc1 c1cncc(c1)CO[*:1] CNC(=O)[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] CNC(=O)[C@@H](C)NC(=O)Nc1ccc(cc1)O[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1ccc(OCc2cccnc2)cc1 CNC(=O)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)OCc1cccnc1)[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] CNC(=O)[C@@H](C)NC(=O)Nc1ccc(cc1)OC[*:1]
CCN(C(=O)Nc1cccnc1-n1cccn1)[C@H](C)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(C(=O)Nc1cccnc1-n1cccn1)[C@H](C)[*:1]
CCN(C(=O)Nc1cccnc1-n1cccn1)[C@H](C)c1cccc(OC)c1 c1cnn(c1)[*:1] CCN(C(=O)Nc1cccnc1[*:1])[C@H](C)c1cccc(c1)OC
CCOc1cccc([C@@H]2C(C(=O)Nc3ccccc3OCC)=C(C)Nc3nnnn32)c1 CCO[*:1] CCOc1cccc(c1)[C@@H]1C(C(=O)Nc2ccccc2[*:1])=C(C)Nc2nnnn21
CCOc1cccc([C@@H]2C(C(=O)Nc3ccccc3OCC)=C(C)Nc3nnnn32)c1 CCOc1cccc(c1)[*:1] CCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1[*:1]
CCOc1cccc([C@@H]2C(C(=O)Nc3ccccc3OCC)=C(C)Nc3nnnn32)c1 CCOc1ccccc1[*:1] CCOc1cccc(c1)[C@@H]1C(C(=O)N[*:1])=C(C)Nc2nnnn21
CCOc1cccc([C@@H]2C(C(=O)Nc3ccccc3OCC)=C(C)Nc3nnnn32)c1 CCO[*:1] CCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(c1)[*:1]
C[C@H](NC(=O)c1cn(Cc2cccs2)nn1)c1nc2ccccc2n1C c1csc(c1)[*:1] C[C@H](NC(=O)c1cn(C[*:1])nn1)c1nc2ccccc2n1C
C[C@H](NC(=O)c1cn(Cc2cccs2)nn1)c1nc2ccccc2n1C c1csc(c1)C[*:1] C[C@H](NC(=O)c1cn(nn1)[*:1])c1nc2ccccc2n1C
Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)c1 CC1CCN(CC1)C(=O)C[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)c1 CC1CCN(CC1)C(=O)[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)c1 Cc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
NC(=O)C1CCN(c2nccc(N3CC[C@@H](O)C3)n2)CC1 O[C@@H]1CCN(C1)[*:1] NC(=O)C1CCN(CC1)c1nccc(n1)[*:1]
NC(=O)C1CCN(c2nccc(N3CC[C@@H](O)C3)n2)CC1 NC(=O)[*:1] O[C@@H]1CCN(C1)c1ccnc(n1)N1CCC(CC1)[*:1]
CCCC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 Fc1cccc(c1)[*:1] CCCC(=O)N1CCC[C@H](C1)c1nc(no1)[*:1]
CCCC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 CCC[*:1] O=C(N1CCC[C@H](C1)c1nc(no1)-c1cccc(F)c1)[*:1]
COc1ccc(CNC(=O)C2CCN([C@@H]3[NH+]=c4ccc(Br)cc4=[NH+]3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)[C@@H]1[NH+]=c2ccc(Br)cc2=[NH+]1
COc1ccc(CNC(=O)C2CCN([C@@H]3[NH+]=c4ccc(Br)cc4=[NH+]3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)[C@@H]1[NH+]=c2ccc(Br)cc2=[NH+]1
Cc1cnc(CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)cn1 Cc1cnc(cn1)[*:1] O=C(NC[*:1])c1ccc(cc1)OC1CC[NH+](CC1)Cc1ccccn1
Cc1cnc(CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)cn1 c1ccc(nc1)[*:1] Cc1cnc(cn1)CNC(=O)c1ccc(cc1)OC1CC[NH+](CC1)C[*:1]
Cc1cnc(CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)cn1 c1ccc(C[*:1])nc1 Cc1cnc(cn1)CNC(=O)c1ccc(cc1)OC1CC[NH+](CC1)[*:1]
Cc1cnc(CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)cn1 Cc1cnc(cn1)C[*:1] O=C(N[*:1])c1ccc(cc1)OC1CC[NH+](CC1)Cc1ccccn1
C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](Sc1nnc(o1)-c1ccc2OCOc2c1)C(=O)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nnc(-c2ccccc2)s1 Clc1ccccc1C[*:1] Cc1nn(c(C)c1C(=O)Nc1nnc(s1)-c1ccccc1)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nnc(s1)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nnc(-c2ccccc2)s1 Clc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1C(=O)Nc1nnc(s1)-c1ccccc1
Cc1cc(C)n(Cc2cccc(NC(=O)c3cccc(OCc4nsnc4C)c3)c2)n1 Cc1cc(C)n(C[*:1])n1 Cc1nsnc1COc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)n(Cc2cccc(NC(=O)c3cccc(OCc4nsnc4C)c3)c2)n1 Cc1nsnc1CO[*:1] Cc1cc(C)n(Cc2cccc(c2)NC(=O)c2cccc(c2)[*:1])n1
Cc1cc(C)n(Cc2cccc(NC(=O)c3cccc(OCc4nsnc4C)c3)c2)n1 Cc1cc(C)n(n1)[*:1] Cc1nsnc1COc1cccc(c1)C(=O)Nc1cccc(c1)C[*:1]
Cc1cc(C)n(Cc2cccc(NC(=O)c3cccc(OCc4nsnc4C)c3)c2)n1 Cc1nsnc1[*:1] Cc1cc(C)n(Cc2cccc(c2)NC(=O)c2cccc(c2)OC[*:1])n1
C[NH+](C)C(C)(C)CNC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[NH+](C)C(C)(C)CNC(=O)N[C@H]1CCCCC[C@H]1[*:1]
COc1ccc(OC)c([C@@H]2C[C@H](C(=O)N3CCC4(CC3)OCCO4)N(C)S(=O)(=O)N2)c1 COc1ccc(OC)c(c1)[*:1] CN1[C@H](C[C@H](NS1(=O)=O)[*:1])C(=O)N1CCC2(CC1)OCCO2
C[C@H]1CCC[C@@H]1Nc1ccc(C(=O)N(C)C)nn1 C[C@H]1CCC[C@H]1[*:1] CN(C)C(=O)c1ccc(nn1)N[*:1]
C[C@H]1CCC[C@@H]1Nc1ccc(C(=O)N(C)C)nn1 CN(C)C(=O)[*:1] C[C@H]1CCC[C@@H]1Nc1ccc(nn1)[*:1]
CCOc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1F CCO[*:1] O=C(Nc1ccc(c(F)c1)[*:1])Nc1ccc(F)cc1F
COC(=O)Nc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)C)cc1 COC(=O)N[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1
COC(=O)Nc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)C)cc1 c1ccc(cc1)[*:1] COC(=O)Nc1ccc(cc1)C[NH2+][C@@H](C(C)C)[*:1]
COC(=O)Nc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)C)cc1 CC(C)[*:1] COC(=O)Nc1ccc(cc1)C[NH2+][C@@H](c1ccccc1)[*:1]
FC(F)(F)c1ccnc(NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)n1 Clc1ccc(cc1)[*:1] FC(F)(F)c1ccnc(n1)NC[C@H](N1CCOCC1)[*:1]
FC(F)(F)c1ccnc(NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)n1 C1CN(CCO1)[*:1] FC(F)(F)c1ccnc(n1)NC[C@H](c1ccc(Cl)cc1)[*:1]
FC(F)(F)c1ccnc(NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)n1 FC(F)(F)[*:1] Clc1ccc(cc1)[C@@H](CNc1nccc(n1)[*:1])N1CCOCC1
Cc1cc(NC(=O)CCCSc2ccc(F)cc2)n(-c2ccccc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(NC(=O)CCCS[*:1])n(n1)-c1ccccc1
Cc1cc(NC(=O)CCCSc2ccc(F)cc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CCCSc2ccc(F)cc2)n(n1)[*:1]
Cc1cc(NC(=O)CCCSc2ccc(F)cc2)n(-c2ccccc2)n1 Fc1ccc(cc1)S[*:1] Cc1cc(NC(=O)CCC[*:1])n(n1)-c1ccccc1
Cc1nc(N2CCN(C3CC3)C(=O)C2)c2cc[nH]c2n1 C1CC1[*:1] Cc1nc(c2cc[nH]c2n1)N1CCN(C(=O)C1)[*:1]
O=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)N1CCOCC1)N1CCN(CC1)[*:1]
O=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCN(c2ccccc2)CC1 C1CN(CCO1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N1CCN(CC1)c1ccccc1
Cc1cccnc1[C@H](NC(=O)c1noc2c1CCCC2)C(C)C Cc1cccnc1[*:1] CC(C)[C@@H](NC(=O)c1noc2CCCCc12)[*:1]
Cc1cccnc1[C@H](NC(=O)c1noc2c1CCCC2)C(C)C CC(C)[*:1] Cc1cccnc1[C@H](NC(=O)c1noc2CCCCc12)[*:1]
CN1C(=O)C(C)(C)Oc2ccc([C@@H](O)c3ccco3)cc21 O[C@@H](c1ccco1)[*:1] CN1C(=O)C(C)(C)Oc2ccc(cc21)[*:1]
CN1C(=O)C(C)(C)Oc2ccc([C@@H](O)c3ccco3)cc21 c1coc(c1)[*:1] CN1C(=O)C(C)(C)Oc2ccc(cc21)[C@@H](O)[*:1]
CC(=O)N[C@@H]1CC(C)(C)Cc2nc(N(C)Cc3ccccc3)ncc21 CC(=O)N[*:1] CN(Cc1ccccc1)c1ncc2c(CC(C)(C)C[C@H]2[*:1])n1
CC(=O)N[C@@H]1CC(C)(C)Cc2nc(N(C)Cc3ccccc3)ncc21 c1ccc(cc1)[*:1] CC(=O)N[C@@H]1CC(C)(C)Cc2nc(ncc21)N(C)C[*:1]
CC(=O)N[C@@H]1CC(C)(C)Cc2nc(N(C)Cc3ccccc3)ncc21 c1ccc(cc1)C[*:1] CC(=O)N[C@@H]1CC(C)(C)Cc2nc(ncc21)N(C)[*:1]
CCC[NH2+]C/C=C/c1cccc(F)c1 CCC[*:1] Fc1cccc(/C=C/C[NH2+][*:1])c1
C[C@H](SC1=NCCS1)C(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](SC1=NCCS1)C(=O)Nc1ccccc1[*:1]
COCC(=O)N1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 COC[*:1] C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCN(CC1)C(=O)[*:1]
COCC(=O)N1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COCC(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
O=C(CCNC(=O)c1cc2cccc(Cl)c2o1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCNC(=O)c1cc2cccc(Cl)c2o1)NC[*:1]
O=C(CCNC(=O)c1cc2cccc(Cl)c2o1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCNC(=O)c1cc2cccc(Cl)c2o1)N[*:1]
Cn1nc(C(C)(C)C)cc1C(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 CC(C)(C)[*:1] Cn1nc(cc1C(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1)[*:1]
Cn1nc(C(C)(C)C)cc1C(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1nc(cc1C(=O)N1CSC[C@H]1C(=O)N[*:1])C(C)(C)C
C#CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2cc(C(=O)OC)ccc21 CC(C)S(=O)(=O)[*:1] C#CCn1/c(=N\C(=O)c2ccc(cc2)[*:1])sc2cc(ccc21)C(=O)OC
C#CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2cc(C(=O)OC)ccc21 COC(=O)[*:1] C#CCn1/c(=N\C(=O)c2ccc(cc2)S(=O)(=O)C(C)C)sc2cc(ccc21)[*:1]
C#CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2cc(C(=O)OC)ccc21 C#CC[*:1] COC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccc(cc1)S(=O)(=O)C(C)C)n2[*:1]
C#CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2cc(C(=O)OC)ccc21 CC(C)[*:1] C#CCn1/c(=N\C(=O)c2ccc(cc2)S(=O)(=O)[*:1])sc2cc(ccc21)C(=O)OC
CCOc1ccccc1-c1noc(CN2CCN(c3ncccn3)CC2)n1 c1cnc(nc1)[*:1] CCOc1ccccc1-c1noc(CN2CCN(CC2)[*:1])n1
CCOc1ccccc1-c1noc(CN2CCN(c3ncccn3)CC2)n1 CCO[*:1] c1cnc(nc1)N1CCN(CC1)Cc1nc(no1)-c1ccccc1[*:1]
CCOc1ccccc1-c1noc(CN2CCN(c3ncccn3)CC2)n1 CCOc1ccccc1[*:1] c1cnc(nc1)N1CCN(CC1)Cc1nc(no1)[*:1]
CCOc1cc(C(=O)OCc2nnc(-c3ccccc3)n2C)ccn1 CCO[*:1] Cn1c(COC(=O)c2ccnc(c2)[*:1])nnc1-c1ccccc1
CCOc1cc(C(=O)OCc2nnc(-c3ccccc3)n2C)ccn1 c1ccc(cc1)[*:1] CCOc1cc(ccn1)C(=O)OCc1nnc(n1C)[*:1]
Cc1cc(C(=O)N2CCC(CNC(=O)Nc3ccccc3C(F)(F)F)CC2)no1 Cc1cc(no1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])Nc1ccccc1C(F)(F)F
Cc1cc(C(=O)N2CCC(CNC(=O)Nc3ccccc3C(F)(F)F)CC2)no1 FC(F)(F)[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)CNC(=O)Nc1ccccc1[*:1]
O=C(c1ccoc1)N1CCC[C@H]1c1ccc(Cl)cc1 c1cc(co1)[*:1] O=C(N1CCC[C@H]1c1ccc(Cl)cc1)[*:1]
O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1ccccc1)c1c(NC(=O)[*:1])sc2CCCc21
O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2)c1ccccc1Cl O=C(Nc1ccccc1)[*:1] O=C(Nc1sc2CCCc2c1[*:1])c1ccccc1Cl
O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2)c1ccccc1Cl c1ccc(cc1)[*:1] O=C(Nc1sc2CCCc2c1C(=O)N[*:1])c1ccccc1Cl
CC(C)c1cccc(C(C)C)c1OCC[C@H]1CCCC1=O O=C1CCC[C@@H]1C[*:1] CC(C)c1cccc(c1OC[*:1])C(C)C
CC(C)c1cccc(C(C)C)c1OCC[C@H]1CCCC1=O O=C1CCC[C@@H]1[*:1] CC(C)c1cccc(c1OCC[*:1])C(C)C
CC(C)c1cccc(C(C)C)c1OCC[C@H]1CCCC1=O CC(C)[*:1] CC(C)c1cccc(c1OCC[C@H]1CCCC1=O)[*:1]
CSC[C@H](C)NC(=O)Nc1ccc(C)c(F)c1 CSC[C@H](C)[*:1] Cc1ccc(cc1F)NC(=O)N[*:1]
CSC[C@H](C)NC(=O)Nc1ccc(C)c(F)c1 CSC[*:1] Cc1ccc(cc1F)NC(=O)N[C@@H](C)[*:1]
O=C(NCc1ccccc1Cl)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O Clc1ccccc1[*:1] O=C(NC[*:1])[C@@H]1CCN(C1=O)c1ccc(Cl)cc1
O=C(NCc1ccccc1Cl)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O Clc1ccccc1C[*:1] O=C(N[*:1])[C@@H]1CCN(C1=O)c1ccc(Cl)cc1
O=C(NCc1ccccc1Cl)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] O=C(NCc1ccccc1Cl)[C@@H]1CCN(C1=O)[*:1]
CC(C)C[C@@H](CNC(=O)N(C)CCC#N)C(=O)[O-] CC(C)C[*:1] CN(CCC#N)C(=O)NC[C@@H](C(=O)[O-])[*:1]
CC(C)C[C@@H](CNC(=O)N(C)CCC#N)C(=O)[O-] N#CC[*:1] CC(C)C[C@@H](CNC(=O)N(C)C[*:1])C(=O)[O-]
CC(C)C[C@@H](CNC(=O)N(C)CCC#N)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](CNC(=O)N(C)CCC#N)[*:1]
CC(C)C[C@@H](CNC(=O)N(C)CCC#N)C(=O)[O-] N#CCC[*:1] CC(C)C[C@@H](CNC(=O)N(C)[*:1])C(=O)[O-]
CC(C)C[C@@H](CNC(=O)N(C)CCC#N)C(=O)[O-] CC(C)[*:1] CN(CCC#N)C(=O)NC[C@H](C[*:1])C(=O)[O-]
COC(=O)c1cc(S(N)(=O)=O)ccc1NCc1cccc2ccccc12 COC(=O)[*:1] NS(=O)(=O)c1ccc(NCc2cccc3ccccc23)c(c1)[*:1]
COC(=O)c1cc(S(N)(=O)=O)ccc1NCc1cccc2ccccc12 NS(=O)(=O)[*:1] COC(=O)c1cc(ccc1NCc1cccc2ccccc12)[*:1]
OCC#Cc1ccc(Cl)cc1Cl OCC#C[*:1] Clc1ccc(c(Cl)c1)[*:1]
Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1ccccc1Br Brc1ccccc1[*:1] Nc1c(ncnc1N[*:1])Nc1cc[nH+]cc1
COc1ccc(OC)c(-c2cc(C(=O)NC[C@]3(O)CCOc4ccccc43)n(C)n2)c1 COc1ccc(OC)c(c1)[*:1] Cn1nc(cc1C(=O)NC[C@]1(O)CCOc2ccccc21)[*:1]
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCc1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCc1cnn(n1)[*:1]
COc1ccc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 COc1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]
COc1ccc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 O=[N+]([O-])[*:1] COc1ccc(/C=C(/C#N)C(=O)Nc2cc(ccc2Cl)[*:1])cc1
CSc1ccccc1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)s1 CSc1ccccc1[*:1] C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N[*:1]
CSc1ccccc1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)s1 c1ccc(cc1)[*:1] CSc1ccccc1NC(=O)[C@@H](C)Sc1nnc(N[*:1])s1
CSc1ccccc1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)s1 c1ccc(cc1)N[*:1] CSc1ccccc1NC(=O)[C@@H](C)Sc1nnc(s1)[*:1]
CCc1noc(CC)c1CC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCc1noc(CC)c1CC(=O)N[C@H](C)c1ccc(cc1)[*:1]
C[NH+]1CCN(c2ccccc2NC(=O)NCc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] C[NH+]1CCN(CC1)c1ccccc1NC(=O)NC[*:1]
O=C(CCC1CC1)C1([NH+]2CCCCC2)CCCC1 C1CC1C[*:1] O=C(C[*:1])C1(CCCC1)[NH+]1CCCCC1
O=C(CCC1CC1)C1([NH+]2CCCCC2)CCCC1 C1CC1CC[*:1] O=C(C1(CCCC1)[NH+]1CCCCC1)[*:1]
O=C(CCC1CC1)C1([NH+]2CCCCC2)CCCC1 C1CC1[*:1] O=C(CC[*:1])C1(CCCC1)[NH+]1CCCCC1
O=C(NCc1c(F)cccc1F)[C@H]1CCCN(C(=O)NCc2cccs2)C1 Fc1cccc(F)c1[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)NCc1cccs1
O=C(NCc1c(F)cccc1F)[C@H]1CCCN(C(=O)NCc2cccs2)C1 Fc1cccc(F)c1C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)NCc1cccs1
O=C(NCc1c(F)cccc1F)[C@H]1CCCN(C(=O)NCc2cccs2)C1 c1csc(c1)C[*:1] O=C(NCc1c(F)cccc1F)[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(NCc1c(F)cccc1F)[C@H]1CCCN(C(=O)NCc2cccs2)C1 c1csc(c1)[*:1] O=C(NCc1c(F)cccc1F)[C@H]1CCCN(C1)C(=O)NC[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccco1 Fc1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@@H]1c1ccco1)[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccco1 c1coc(c1)[*:1] N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@H]1[*:1]
Cc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccco3)C2)cc1 Cc1ccc(cc1)[*:1] S=C(Nc1ccccc1)N1N=C(C[C@H]1c1ccco1)[*:1]
Cc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccco3)C2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C(=S)N[*:1]
Cc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C1C[C@@H](N(N=1)C(=S)Nc1ccccc1)[*:1]
CCCCN1C(=O)[C@@]2(NC(=O)c3ccccc3N2)c2ccccc21 CCCC[*:1] O=C1N[C@]2(Nc3ccccc31)C(=O)N(c1ccccc12)[*:1]
CCCCN1C(=O)[C@@]2(NC(=O)c3ccccc3N2)c2ccccc21 CCC[*:1] O=C1N[C@]2(Nc3ccccc31)C(=O)N(C[*:1])c1ccccc12
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCCN(Cc1ccc(C#N)cc1)C(=O)NC[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)CNC(=O)N(Cc1ccc(C#N)cc1)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC)cc1 N#Cc1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)NCc1ccc(cc1)OC
COc1ccc(/C=C/C(=O)[O-])cc1OC[C@@H](C)C(N)=O C[C@@H](C(N)=O)[*:1] COc1ccc(/C=C/C(=O)[O-])cc1OC[*:1]
COc1ccc(/C=C/C(=O)[O-])cc1OC[C@@H](C)C(N)=O O=C([O-])[*:1] COc1ccc(C=C[*:1])cc1OC[C@@H](C)C(N)=O
COc1ccc(/C=C/C(=O)[O-])cc1OC[C@@H](C)C(N)=O C[C@H](C[*:1])C(N)=O COc1ccc(/C=C/C(=O)[O-])cc1O[*:1]
COc1ccc(/C=C/C(=O)[O-])cc1OC[C@@H](C)C(N)=O O=C([O-])C=C[*:1] COc1ccc(cc1OC[C@@H](C)C(N)=O)[*:1]
COc1ccc(/C=C/C(=O)[O-])cc1OC[C@@H](C)C(N)=O NC(=O)[*:1] COc1ccc(/C=C/C(=O)[O-])cc1OC[C@@H](C)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)CC1(O)CCCCC1 c1ccc(nc1)[*:1] C[C@H](N(C)C(=O)CC1(O)CCCCC1)[*:1]
C[C@@H](Cc1cccs1)N(C)Cc1ccoc1C(=O)NN c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)Cc1ccoc1C(=O)NN
C[C@@H](Cc1cccs1)N(C)Cc1ccoc1C(=O)NN NNC(=O)[*:1] C[C@@H](Cc1cccs1)N(C)Cc1ccoc1[*:1]
C[C@@H](Cc1cccs1)N(C)Cc1ccoc1C(=O)NN c1csc(c1)C[*:1] C[C@@H](N(C)Cc1ccoc1C(=O)NN)[*:1]
CCS[C@@H]1CCCCN(C(=O)c2ccc3c(c2)ncn3C)C1 CCS[*:1] Cn1cnc2cc(ccc21)C(=O)N1CCCC[C@H](C1)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)/C=C/c1cccc(C#N)c1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)/C=C/c1cccc(C#N)c1
COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 Fc1ccccc1[*:1] COc1ccc(/C=C2\SC(=O)N(CC(=O)N[*:1])C2=O)cc1
COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 COc1ccc(cc1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)Nc1ccccc1F
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccccc1F Fc1ccccc1[*:1] COc1ccc(Cl)cc1NC(=O)[C@@H](C)S[*:1]
CC[C@@H](CCO)CNC(=O)c1ccc(N)cc1C CC[C@@H](CCO)[*:1] Cc1cc(N)ccc1C(=O)NC[*:1]
CC[C@@H](CCO)CNC(=O)c1ccc(N)cc1C OCC[*:1] CC[C@@H](CNC(=O)c1ccc(N)cc1C)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)[C@H]1CCCN(C1)c1ccc(Cl)nn1)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 Clc1ccc(nn1)[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCCN(C1)[*:1]
C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)C1CCCCC1 N#CCO[*:1] C[C@@H](NC(=O)Cc1ccc(cc1)[*:1])C1CCCCC1
C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)Cc1ccc(cc1)OCC#N)[*:1]
C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)C1CCCCC1 N#CC[*:1] C[C@@H](NC(=O)Cc1ccc(cc1)O[*:1])C1CCCCC1
C/C=C/c1ccc(OCC(=O)N(C)Cc2ccccc2C)c(OC)c1 Cc1ccccc1C[*:1] C/C=C/c1ccc(OCC(=O)N(C)[*:1])c(c1)OC
C/C=C/c1ccc(OCC(=O)N(C)Cc2ccccc2C)c(OC)c1 Cc1ccccc1[*:1] C/C=C/c1ccc(OCC(=O)N(C)C[*:1])c(c1)OC
C/C=C/c1ccc(OCC(=O)N(C)Cc2ccccc2C)c(OC)c1 CC=C[*:1] COc1cc(ccc1OCC(=O)N(C)Cc1ccccc1C)[*:1]
CC[C@H](C(=O)[O-])C(=O)c1ccc(OC)cc1 O=C([O-])[*:1] CC[C@H](C(=O)c1ccc(cc1)OC)[*:1]
O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 c1cc2OCOc2cc1[*:1] O=C(CNC(=O)[*:1])Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2
Cc1ocnc1CNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br Brc1ccccc1[*:1] Cc1ocnc1CNC(=O)N[C@@H]1C[C@@H]1[*:1]
Cc1ocnc1CNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br Cc1ocnc1C[*:1] O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N[*:1]
Cc1ocnc1CNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br Cc1ocnc1[*:1] O=C(NC[*:1])N[C@@H]1C[C@H]1c1ccccc1Br
CC[NH+]1CCc2c(cccc2NC(=O)N2CCN(CCOC)C(=O)C2)C1 COC[*:1] CC[NH+]1CCc2c(cccc2NC(=O)N2CCN(C[*:1])C(=O)C2)C1
CC[NH+]1CCc2c(cccc2NC(=O)N2CCN(CCOC)C(=O)C2)C1 COCC[*:1] CC[NH+]1CCc2c(cccc2NC(=O)N2CCN(C(=O)C2)[*:1])C1
O=C(c1ccc(Br)cc1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1cccnc1 Brc1ccc(cc1)[*:1] O=C(N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1cccnc1)[*:1]
O=C(c1ccc(Br)cc1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1cccnc1 c1cncc(c1)[*:1] O=C(c1ccc(Br)cc1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1[*:1]
COc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4)CC3)C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C[C@@H](C1=O)N1CCN(CC1)[*:1]
COc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4)CC3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)N1[*:1])N1CCN(CC1)c1ccccc1
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1cnc2nccn2c1[O-] O=C(NC1CCCC1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1cnc2nccn2c1[O-]
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1cnc2nccn2c1[O-] C1CCC(C1)[*:1] O=C(N[C@@H](C(=O)N[*:1])c1ccccc1)c1cnc2nccn2c1[O-]
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1cnc2nccn2c1[O-] c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)NC1CCCC1)[*:1])c1cnc2nccn2c1[O-]
COc1cccc(OCC(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)OCC(=O)NC[C@@H](O)[*:1]
CCOCCCNC(=O)C(=O)Nc1cccc2c1CCCC2 CCO[*:1] O=C(NCCC[*:1])C(=O)Nc1cccc2CCCCc21
CCOCCCNC(=O)C(=O)Nc1cccc2c1CCCC2 CCOCC[*:1] O=C(NC[*:1])C(=O)Nc1cccc2CCCCc21
CCOCCCNC(=O)C(=O)Nc1cccc2c1CCCC2 CCOCCC[*:1] O=C(Nc1cccc2CCCCc21)C(=O)N[*:1]
CCOCCCNC(=O)C(=O)Nc1cccc2c1CCCC2 CCOC[*:1] O=C(NCC[*:1])C(=O)Nc1cccc2CCCCc21
COc1ccc(-c2nc(Cn3c(=O)c4cccnc4n(-c4ccccc4)c3=O)c(C)o2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(Cn2c(=O)c3cccnc3n(c2=O)[*:1])c(C)o1
COc1ccc(-c2nc(Cn3c(=O)c4cccnc4n(-c4ccccc4)c3=O)c(C)o2)cc1 COc1ccc(cc1)[*:1] Cc1oc(nc1Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O)[*:1]
CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[NH+](C(C)C)C2 c1coc(c1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2C[NH+](CCc21)C(C)C
CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[NH+](C(C)C)C2 CC(C)[*:1] CCOC(=O)c1c(NC(=O)c2ccco2)sc2C[NH+](CCc21)[*:1]
CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[NH+](C(C)C)C2 O=C(N[*:1])c1ccco1 CCOC(=O)c1c(sc2C[NH+](CCc21)C(C)C)[*:1]
CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[NH+](C(C)C)C2 CCOC(=O)[*:1] CC(C)[NH+]1CCc2c(C1)sc(NC(=O)c1ccco1)c2[*:1]
COc1ccc(-c2cncc3ccc(C(=O)NCCCN4CCOCC4)nc23)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)-c1cncc2ccc(nc12)C(=O)NCC[*:1]
COc1ccc(-c2cncc3ccc(C(=O)NCCCN4CCOCC4)nc23)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)-c1cncc2ccc(nc12)C(=O)NCCC[*:1]
COc1ccc(-c2cncc3ccc(C(=O)NCCCN4CCOCC4)nc23)cc1 COc1ccc(cc1)[*:1] O=C(NCCCN1CCOCC1)c1ccc2cncc(c2n1)[*:1]
COc1ccc(-c2cncc3ccc(C(=O)NCCCN4CCOCC4)nc23)cc1 C1CN(CCO1)CC[*:1] COc1ccc(cc1)-c1cncc2ccc(nc12)C(=O)NC[*:1]
COc1ccc(-c2cncc3ccc(C(=O)NCCCN4CCOCC4)nc23)cc1 C(CN1CCOCC1)C[*:1] COc1ccc(cc1)-c1cncc2ccc(nc12)C(=O)N[*:1]
C[C@@H](NC(=O)/C=C/c1ccncc1)c1ccc(-c2cncnc2)cc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)C=C[*:1])c1ccc(cc1)-c1cncnc1
C[C@@H](NC(=O)/C=C/c1ccncc1)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@@H](NC(=O)/C=C/c1ccncc1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)/C=C/c1ccncc1)c1ccc(-c2cncnc2)cc1 C(=C[*:1])c1ccncc1 C[C@@H](NC(=O)[*:1])c1ccc(cc1)-c1cncnc1
COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 COC(=O)[*:1] O=C(CN1C(=O)S/C(=C/c2ccc(cc2)[*:1])C1=O)N1CCN(CC1)c1ccccc1
COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(CC3)[*:1])C2=O)cc1
COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)N1CCN(CC1)c1ccccc1
O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1C[C@H]1c1ccccc1F c1ncn(n1)[*:1] O=C(NCc1ccc(cc1)[*:1])[C@H]1C[C@H]1c1ccccc1F
O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1C[C@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(NCc1ccc(cc1)-n1cncn1)[C@H]1C[C@@H]1[*:1]
Cc1ccc(NC(=O)Cn2cnc3sc(-c4nc(-c5ccccc5)no4)c(C)c3c2=O)c(Cl)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)Cn2cnc3sc(-c4nc(no4)[*:1])c(C)c3c2=O)c(Cl)c1
Cc1ccc(NC(=O)Cn2cnc3sc(-c4nc(-c5ccccc5)no4)c(C)c3c2=O)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] Cc1c(sc2ncn(CC(=O)N[*:1])c(=O)c12)-c1nc(no1)-c1ccccc1
Cc1ccc(NC(=O)Cn2cnc3sc(-c4nc(-c5ccccc5)no4)c(C)c3c2=O)c(Cl)c1 c1ccc(cc1)-c1noc(n1)[*:1] Cc1ccc(NC(=O)Cn2cnc3sc(c(C)c3c2=O)[*:1])c(Cl)c1
Cc1ccc(NC(=O)Cn2cnc3sc(-c4nc(-c5ccccc5)no4)c(C)c3c2=O)c(Cl)c1 Cc1ccc(NC(=O)[*:1])c(Cl)c1 Cc1c(sc2ncn(C[*:1])c(=O)c12)-c1nc(no1)-c1ccccc1
O=[S@@](Cc1nc(-c2cccs2)no1)Cc1ccc(F)cc1Cl c1csc(c1)[*:1] O=[S@@](Cc1nc(no1)[*:1])Cc1ccc(F)cc1Cl
CS(=O)(=O)c1cnn(-c2nc3ccccc3s2)c1N CS(=O)(=O)[*:1] Nc1c(cnn1-c1nc2ccccc2s1)[*:1]
Cc1cc([N-]S(=O)(=O)CC2CCC2)ccc1C(N)=O NC(=O)[*:1] Cc1cc(ccc1[*:1])[N-]S(=O)(=O)CC1CCC1
Cc1cc([N-]S(=O)(=O)CC2CCC2)ccc1C(N)=O C1CC(C1)C[*:1] Cc1cc(ccc1C(N)=O)[N-]S(=O)(=O)[*:1]
Cc1cc([N-]S(=O)(=O)CC2CCC2)ccc1C(N)=O C1CC(C1)[*:1] Cc1cc(ccc1C(N)=O)[N-]S(=O)(=O)C[*:1]
C[NH+]1CCc2nc(C3CCN(C(=O)c4cc[nH]n4)CC3)ncc2C1 c1cc(n[nH]1)[*:1] C[NH+]1CCc2nc(ncc2C1)C1CCN(CC1)C(=O)[*:1]
COc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)[C@@H](C)[NH2+]C[*:1]
O=C(NC[C@@H]1COC2(CCCC2)O1)Nc1c(F)cccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(NC[C@@H]1COC2(CCCC2)O1)Nc1c(F)cccc1[*:1]
O=C(NC[C@@H]1COC2(CCCC2)O1)Nc1c(F)cccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1COC2(CCCC2)O1)Nc1c(F)cccc1O[*:1]
Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2C)c(C)cc1Br NC(=O)[*:1] Cc1cc(C(=O)Nc2cc(ccc2C)[*:1])c(C)cc1Br
CCOC[C@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 CCO[*:1] C[NH+](C)Cc1ccc(cc1)CNC(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 CCOC[*:1] C[NH+](C)Cc1ccc(cc1)CNC(=O)N1CCC[C@@H](C1)[*:1]
CC(C)(C)c1n[nH]cc1C[NH+]1CCCCC1 CC(C)(C)[*:1] c1[nH]nc(c1C[NH+]1CCCCC1)[*:1]
Cn1cc(C(=O)NCc2ccco2)c2nn(-c3ccccc3)c(=O)c-2c1 c1coc(c1)C[*:1] Cn1cc(C(=O)N[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
Cn1cc(C(=O)NCc2ccco2)c2nn(-c3ccccc3)c(=O)c-2c1 c1coc(c1)[*:1] Cn1cc(C(=O)NC[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
Cn1cc(C(=O)NCc2ccco2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] Cn1cc(C(=O)NCc2ccco2)c2nn(c(=O)c-2c1)[*:1]
C[C@H](C=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C C[C@H](C=O)[*:1] C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@H]2[*:1]
FC(F)(F)c1cccc([C@@H]2CN(Cc3ccsc3)CCO2)c1 c1cc(cs1)[*:1] FC(F)(F)c1cccc(c1)[C@@H]1CN(CCO1)C[*:1]
FC(F)(F)c1cccc([C@@H]2CN(Cc3ccsc3)CCO2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])[C@@H]1CN(CCO1)Cc1ccsc1
FC(F)(F)c1cccc([C@@H]2CN(Cc3ccsc3)CCO2)c1 c1cc(cs1)C[*:1] FC(F)(F)c1cccc(c1)[C@@H]1CN(CCO1)[*:1]
NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 NC(=O)[*:1] c1cc(ccc1NC1CCC[NH+]=1)[*:1]
COc1ccc(S(=O)(=O)NCCc2nc(-c3ccco3)cn2C)cc1F c1coc(c1)[*:1] COc1ccc(cc1F)S(=O)(=O)NCCc1nc(cn1C)[*:1]
COc1cc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc(OC)c1 O=C(N[*:1])c1cccs1 COc1cc(cc(c1)OC)NC(=O)[C@@H](C(C)C)[*:1]
COc1cc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc(OC)c1 c1csc(c1)[*:1] COc1cc(cc(c1)OC)NC(=O)[C@@H](NC(=O)[*:1])C(C)C
COc1cc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc(OC)c1 CC(C)[*:1] COc1cc(cc(c1)OC)NC(=O)[C@@H](NC(=O)c1cccs1)[*:1]
CC(C)CNC(=O)Cc1cc(-c2ccc(F)cc2)on1 CC(C)C[*:1] O=C(Cc1cc(on1)-c1ccc(F)cc1)N[*:1]
CC(C)CNC(=O)Cc1cc(-c2ccc(F)cc2)on1 CC(C)[*:1] O=C(Cc1cc(on1)-c1ccc(F)cc1)NC[*:1]
CCOc1ccc2c(c1)CN(C(=O)NCc1ccc([S@@](C)=O)cc1)CC2 CCO[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)N1CCc2ccc(cc2C1)[*:1]
Cc1cc([C@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 Clc1ccccc1[*:1] Cc1cc(c(NC(=O)c2ccco2)s1)[C@H](N1CC[NH+](C)CC1)[*:1]
Cc1cc([C@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 O=C(N[*:1])c1ccco1 Cc1cc(c(s1)[*:1])[C@H](c1ccccc1Cl)N1CC[NH+](C)CC1
Cc1cc([C@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 c1coc(c1)[*:1] Cc1cc(c(NC(=O)[*:1])s1)[C@H](c1ccccc1Cl)N1CC[NH+](C)CC1
C/C(=N\O)c1cc(F)ccc1OC(C)C CC(C)O[*:1] C/C(=N\O)c1cc(F)ccc1[*:1]
C/C(=N\O)c1cc(F)ccc1OC(C)C CC(C)[*:1] C/C(=N\O)c1cc(F)ccc1O[*:1]
C/C(=N\O)c1cc(F)ccc1OC(C)C CC(=NO)[*:1] CC(C)Oc1ccc(F)cc1[*:1]
COCC[NH+](CCO)Cc1cc(C)c(Br)s1 COC[*:1] Cc1cc(C[NH+](CCO)C[*:1])sc1Br
COCC[NH+](CCO)Cc1cc(C)c(Br)s1 COCC[*:1] Cc1cc(C[NH+](CCO)[*:1])sc1Br
COCC[NH+](CCO)Cc1cc(C)c(Br)s1 OCC[*:1] COCC[NH+](Cc1cc(C)c(Br)s1)[*:1]
Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@H](C)CCC(C)(C)C)cc2)o1 Cc1nnc(o1)[*:1] C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@H](C)CCC(C)(C)C)cc2)o1 CC(C)(C)C[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)C(=O)N[C@H](C)C[*:1]
Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@H](C)CCC(C)(C)C)cc2)o1 CC(C)(C)[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)C(=O)N[C@H](C)CC[*:1]
Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@H](C)CCC(C)(C)C)cc2)o1 CC(C)(C)CC[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
O=C1CC(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)C1 O=C1CC(C1)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
Cc1ccc(/C=N/Nc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(/C=N/Nc2nnnn2[*:1])cc1[N+](=O)[O-]
Cc1ccc(/C=N/Nc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(/C=N/Nc2nnnn2-c2ccccc2)cc1[*:1]
COC(=O)c1sc(NC(=O)Cn2cnc3sccc3c2=O)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1sc(NC(=O)Cn2cnc3sccc3c2=O)c(c1C)[*:1]
COC(=O)c1sc(NC(=O)Cn2cnc3sccc3c2=O)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1c(NC(=O)Cn2cnc3sccc3c2=O)sc(c1C)[*:1]
CCCc1nc(C(=O)N[C@@H]2CCCCC[C@H]2C)n[nH]1 CCC[*:1] C[C@@H]1CCCCC[C@H]1NC(=O)c1n[nH]c(n1)[*:1]
O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccccc1C(=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(CSc1nc(n[nH]1)-c1ccc(Cl)cc1)Nc1ccccc1C(=O)N[*:1]
O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccccc1C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C(CSc1nc(n[nH]1)-c1ccc(Cl)cc1)Nc1ccccc1[*:1]
O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccccc1C(=O)NC1CCCC1 Clc1ccc(cc1)[*:1] O=C(CSc1nc(n[nH]1)[*:1])Nc1ccccc1C(=O)NC1CCCC1
CCOC[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 c1ccc(cc1)CO[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 CCO[*:1] O=C(c1cccc(c1)OCc1ccccc1)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 c1ccc(cc1)C[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cccc(c1)O[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 c1ccc(cc1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cccc(c1)OC[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 CCOC[*:1] O=C(c1cccc(c1)OCc1ccccc1)N1CCC[C@@H](C1)[*:1]
Cc1cccc(NC(=O)c2ccc(N3C(=O)N4CCc5c([nH]c6ccccc56)[C@@]4(C)C3=O)cc2)c1 Cc1cccc(c1)NC(=O)[*:1] C[C@]12C(=O)N(C(=O)N1CCc1c2[nH]c2ccccc12)c1ccc(cc1)[*:1]
Cc1cccc(NC(=O)c2ccc(N3C(=O)N4CCc5c([nH]c6ccccc56)[C@@]4(C)C3=O)cc2)c1 Cc1cccc(c1)[*:1] C[C@]12C(=O)N(C(=O)N1CCc1c2[nH]c2ccccc12)c1ccc(cc1)C(=O)N[*:1]
CCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2O)cc1 CCCC(=O)N[*:1] Cc1ccc(O)c(c1)NC(=O)c1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2O)cc1 CCC[*:1] Cc1ccc(O)c(c1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1cccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 COc1cccc(c1)[*:1] C[C@@H](C(=O)O[C@H](C)C(=O)N[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@H]1c1ccc2c(c1)OCCCO2 c1cc(ccn1)[*:1] CC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1ccc2OCCCOc2c1)[*:1]
CC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@H]1c1ccc2c(c1)OCCCO2 CC(=O)[*:1] CC1Nc2nc(nn2[C@H](C=1[*:1])c1ccc2OCCCOc2c1)-c1ccncc1
CNC(=O)c1ccc(-c2ccccc2)s1 CNC(=O)[*:1] c1ccc(cc1)-c1ccc(s1)[*:1]
Cc1ccsc1C(=O)N[C@@H](C)c1ccccc1Br Cc1ccsc1[*:1] C[C@H](NC(=O)[*:1])c1ccccc1Br
CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(c1)-c1ncon1)[*:1]
CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1ccccn1 CC(C)[*:1] O=C(Nc1cccc(c1)-c1ncon1)C(=O)N[C@@H](c1ccccn1)[*:1]
CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1ccccn1 c1nc(no1)[*:1] CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(c1)[*:1])c1ccccn1
O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CCC2 C1CCC(C1)[*:1] O=C(N[*:1])c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2CCCc21
O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CCC2 O=C(NC1CCCC1)[*:1] O=C(Nc1sc2CCCc2c1[*:1])[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-]
O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CCC2 O=C([O-])[*:1] O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2[*:1])sc2CCCc21
COc1cc(OC)c([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)cc1Cl C1CC(CCO1)[*:1] COc1cc(OC)c(cc1Cl)[C@@H](C)[NH2+]C[C@H](O)[*:1]
Cn1nc(C2CCN(C(=O)NC3CCCCCC3)CC2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc(C2CCN(CC2)C(=O)NC2CCCCCC2)n(c1=O)[*:1]
Cn1nc(C2CCN(C(=O)NC3CCCCCC3)CC2)n(-c2ccccc2)c1=O C1CCCC(CC1)[*:1] Cn1nc(C2CCN(CC2)C(=O)N[*:1])n(-c2ccccc2)c1=O
O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1C[C@H]1c1cc(F)ccc1F O=[N+]([O-])[*:1] O=C(Nc1n[nH]c2ccc(cc12)[*:1])[C@H]1C[C@H]1c1cc(F)ccc1F
O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1C[C@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])[C@H]1C[C@@H]1[*:1]
O=C1CCc2cc(OCC(=O)N(Cc3cccc(F)c3)C3CC3)ccc2N1 Fc1cccc(c1)[*:1] O=C1CCc2cc(ccc2N1)OCC(=O)N(C[*:1])C1CC1
O=C1CCc2cc(OCC(=O)N(Cc3cccc(F)c3)C3CC3)ccc2N1 C1CC1[*:1] O=C1CCc2cc(ccc2N1)OCC(=O)N(Cc1cccc(F)c1)[*:1]
O=C1CCc2cc(OCC(=O)N(Cc3cccc(F)c3)C3CC3)ccc2N1 Fc1cccc(c1)C[*:1] O=C1CCc2cc(ccc2N1)OCC(=O)N(C1CC1)[*:1]
COc1ccc(CC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 N#CCC[*:1] COc1ccc(cc1)CC(=O)N(c1ccc2OCCOc2c1)[*:1]
COc1ccc(CC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 N#CC[*:1] COc1ccc(cc1)CC(=O)N(C[*:1])c1ccc2OCCOc2c1
COc1ccc(CC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)[*:1] N#CCCN(C(=O)C[*:1])c1ccc2OCCOc2c1
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C([O-])CCCC3=N2)c1 Cc1cccc(c1)[*:1] N#CC1=C(N=C2CCCC([O-])=C2[C@@H]1c1ccco1)SCC(=O)N[*:1]
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C([O-])CCCC3=N2)c1 c1coc(c1)[*:1] Cc1cccc(c1)NC(=O)CSC1N=C2CCCC([O-])=C2[C@H](C=1C#N)[*:1]
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C([O-])CCCC3=N2)c1 Cc1cccc(c1)NC(=O)[*:1] N#CC1=C(N=C2CCCC([O-])=C2[C@@H]1c1ccco1)SC[*:1]
O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c(O)cccc1O FC(F)(F)[*:1] O=C(N[C@@H]1CCC[C@@H](C1)[*:1])c1c(O)cccc1O
Cc1cc([C@H](C)NC(=O)CNC(N)=O)c(C)s1 NC(=O)NC[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)[*:1]
Cc1cc([C@H](C)NC(=O)CNC(N)=O)c(C)s1 NC(=O)N[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)C[*:1]
Cn1c(CNC(=O)Nc2ccnn2Cc2ccccn2)n[nH]c1=S Cn1c(n[nH]c1=S)[*:1] O=C(NC[*:1])Nc1ccnn1Cc1ccccn1
Cn1c(CNC(=O)Nc2ccnn2Cc2ccccn2)n[nH]c1=S c1ccc(C[*:1])nc1 Cn1c(CNC(=O)Nc2ccnn2[*:1])n[nH]c1=S
Cn1c(CNC(=O)Nc2ccnn2Cc2ccccn2)n[nH]c1=S c1ccc(nc1)[*:1] Cn1c(CNC(=O)Nc2ccnn2C[*:1])n[nH]c1=S
Cn1c(CNC(=O)Nc2ccnn2Cc2ccccn2)n[nH]c1=S Cn1c(C[*:1])n[nH]c1=S O=C(Nc1ccnn1Cc1ccccn1)N[*:1]
O=C(Nc1ccnn1C1CCCC1)c1ccc2c(c1)OCO2 C1CCC(C1)[*:1] O=C(Nc1ccnn1[*:1])c1ccc2OCOc2c1
COc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)c1ccco1 CS(=O)(=O)N[*:1] COc1ccccc1[C@H]1CC(=NN1C(=O)c1ccco1)c1cccc(c1)[*:1]
COc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)c1ccco1 COc1ccccc1[*:1] CS(=O)(=O)Nc1cccc(c1)C1C[C@@H](N(N=1)C(=O)c1ccco1)[*:1]
COc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)c1ccco1 c1coc(c1)[*:1] COc1ccccc1[C@H]1CC(=NN1C(=O)[*:1])c1cccc(c1)NS(C)(=O)=O
COc1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)NC(=O)N(CC[NH+](C)C)[*:1]
Fc1cccc(-n2c(SCc3nnc(-c4ccco4)o3)nnc2N2CCOCC2)c1 Fc1cccc(c1)[*:1] c1coc(c1)-c1nnc(CSc2nnc(N3CCOCC3)n2[*:1])o1
Fc1cccc(-n2c(SCc3nnc(-c4ccco4)o3)nnc2N2CCOCC2)c1 c1coc(c1)-c1nnc(o1)[*:1] Fc1cccc(c1)-n1c(nnc1N1CCOCC1)SC[*:1]
Fc1cccc(-n2c(SCc3nnc(-c4ccco4)o3)nnc2N2CCOCC2)c1 c1coc(c1)[*:1] Fc1cccc(c1)-n1c(nnc1N1CCOCC1)SCc1nnc(o1)[*:1]
Fc1cccc(-n2c(SCc3nnc(-c4ccco4)o3)nnc2N2CCOCC2)c1 C1CN(CCO1)[*:1] Fc1cccc(c1)-n1c(nnc1[*:1])SCc1nnc(o1)-c1ccco1
Cc1cccc(Nc2ncnc(Oc3cccc4cccnc34)c2N)c1 Cc1cccc(c1)N[*:1] Nc1c(ncnc1[*:1])Oc1cccc2cccnc12
Cc1cccc(Nc2ncnc(Oc3cccc4cccnc34)c2N)c1 Cc1cccc(c1)[*:1] Nc1c(ncnc1Oc1cccc2cccnc12)N[*:1]
O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)C1CCCCC1 Fc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)CSC[*:1])C1CCCCC1
O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1nc(cs1)CSCc1ccc(F)cc1)[*:1]
O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)C1CCCCC1 Fc1ccc(cc1)C[*:1] O=C(Nc1nc(cs1)CS[*:1])C1CCCCC1
O=C(NCc1ccnc(-n2ccnc2)c1)C(=O)Nc1cc(F)ccc1F c1cn(cn1)[*:1] O=C(NCc1ccnc(c1)[*:1])C(=O)Nc1cc(F)ccc1F
O=C(NCc1ccnc(-n2ccnc2)c1)C(=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(NCc1ccnc(c1)-n1ccnc1)C(=O)N[*:1]
NC(=S)N/N=C/Cc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] NC(=S)N/N=C/Cc1nnnn1[*:1]
NC(=S)N/N=C/Cc1nnnn1-c1ccccc1 NC(=S)NN=C[*:1] c1ccc(cc1)-n1nnnc1C[*:1]
Cc1ccc(O)c(C(=O)N2CCNC(=O)[C@@H]2C(C)C)c1 CC(C)[*:1] Cc1ccc(O)c(c1)C(=O)N1CCNC(=O)[C@H]1[*:1]
CC[C@H](CCO)C[NH2+]C[C@@H](C)C#N OCC[*:1] CC[C@H](C[NH2+]C[C@@H](C)C#N)[*:1]
CC[C@H](CCO)C[NH2+]C[C@@H](C)C#N C[C@@H](C#N)[*:1] CC[C@H](CCO)C[NH2+]C[*:1]
C[NH+]1CCN(CC(=O)Nc2ccc(OC(F)(F)Cl)cc2)CC1 FC(F)(Cl)O[*:1] C[NH+]1CCN(CC1)CC(=O)Nc1ccc(cc1)[*:1]
C[NH+]1CCN(CC(=O)Nc2ccc(OC(F)(F)Cl)cc2)CC1 FC(F)(Cl)[*:1] C[NH+]1CCN(CC1)CC(=O)Nc1ccc(cc1)O[*:1]
O=C(NCC(=O)N1CCC(Cn2ccc3cccnc32)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N1CCC(CC1)Cn1ccc2cccnc21
O=C(NCC(=O)N1CCC(Cn2ccc3cccnc32)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(C[*:1])N1CCC(CC1)Cn1ccc2cccnc21
O=C(NCC(=O)N1CCC(Cn2ccc3cccnc32)CC1)c1ccccc1 c1cnc2c(c1)ccn2[*:1] O=C(NCC(=O)N1CCC(CC1)C[*:1])c1ccccc1
C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)n1cc(C(=O)[O-])cn1 O=C([O-])[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)n1cc(cn1)[*:1]
COc1ccc(F)cc1NC(=O)N(C)Cc1cccnc1 c1cncc(c1)[*:1] COc1ccc(F)cc1NC(=O)N(C)C[*:1]
COc1ccc(F)cc1NC(=O)N(C)Cc1cccnc1 c1cncc(c1)C[*:1] COc1ccc(F)cc1NC(=O)N(C)[*:1]
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 CC(C)CCO[*:1] O=C(Cc1c[nH]c2ncccc12)N[C@H]1CCCC[C@H]1[*:1]
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 CC(C)[*:1] O=C(Cc1c[nH]c2ncccc12)N[C@H]1CCCC[C@H]1OCC[*:1]
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 CC(C)CC[*:1] O=C(Cc1c[nH]c2ncccc12)N[C@H]1CCCC[C@H]1O[*:1]
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 CC(C)C[*:1] O=C(Cc1c[nH]c2ncccc12)N[C@H]1CCCC[C@H]1OC[*:1]
C[C@H](S[C@H]1N=C(Cl)N=C2N=CN=C21)C(=O)[O-] C[C@H](C(=O)[O-])[*:1] ClC1=N[C@H](S[*:1])C2=NC=NC2=N1
C[C@H](S[C@H]1N=C(Cl)N=C2N=CN=C21)C(=O)[O-] O=C([O-])[*:1] C[C@H](S[C@H]1N=C(Cl)N=C2N=CN=C21)[*:1]
Cc1cccc(NC(=O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(CN1CC[NH+](CC1)C[C@@H]1CCCO1)N[*:1]
CSc1nc([O-])c(C(=O)NCCc2c(F)cccc2F)cc1C#N Fc1cccc(F)c1[*:1] CSc1nc([O-])c(cc1C#N)C(=O)NCC[*:1]
COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(CC1)[*:1]
COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(c2cccc(Cl)c2)CC1 COc1ccc(C)cc1[*:1] O=S1(=O)C[C@@H]([C@H](C1)S(=O)(=O)[*:1])N1CCN(CC1)c1cccc(Cl)c1
CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)cc1 CC(=O)N[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)NCc1nccn1[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)NCc1nccn1C[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccnc2Cl)c1 CN(C)S(=O)(=O)[*:1] O=C(COC(=O)c1cccnc1Cl)Nc1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccnc2Cl)c1 Clc1ncccc1[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)COC(=O)[*:1]
CCc1n[nH]c(SCC(=O)NC[C@H]2[NH+]=NC(=O)c3ccccc32)n1 CCc1n[nH]c(n1)[*:1] O=C(CS[*:1])NC[C@H]1[NH+]=NC(=O)c2ccccc21
CCc1n[nH]c(SCC(=O)NC[C@H]2[NH+]=NC(=O)c3ccccc32)n1 CCc1n[nH]c(n1)S[*:1] O=C(C[*:1])NC[C@H]1[NH+]=NC(=O)c2ccccc21
C[C@@H](CCN1CCOCC1)NC(=O)[C@H]1CN(C)CCO1 C1CN(CCO1)[*:1] C[C@@H](CC[*:1])NC(=O)[C@H]1CN(C)CCO1
CCOc1ncccc1C(=O)N1CCC[NH+](CCOC)CC1 CCO[*:1] COCC[NH+]1CCCN(CC1)C(=O)c1cccnc1[*:1]
CCOc1ncccc1C(=O)N1CCC[NH+](CCOC)CC1 COC[*:1] CCOc1ncccc1C(=O)N1CCC[NH+](CC1)C[*:1]
CCOc1ncccc1C(=O)N1CCC[NH+](CCOC)CC1 COCC[*:1] CCOc1ncccc1C(=O)N1CCC[NH+](CC1)[*:1]
COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NCc1ccco1)CCS3 c1coc(c1)C[*:1] COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2CC(=O)N[*:1]
COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NCc1ccco1)CCS3 O=C(NCc1ccco1)[*:1] COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2C[*:1]
COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NCc1ccco1)CCS3 c1coc(c1)[*:1] COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2CC(=O)NC[*:1]
CC(C)c1noc([C@H](C)N2CCN(c3ncnc4sccc34)CC2)n1 CC(C)[*:1] C[C@@H](c1nc(no1)[*:1])N1CCN(CC1)c1ncnc2sccc12
CC(C)c1noc([C@H](C)N2CCN(c3ncnc4sccc34)CC2)n1 CC(C)c1noc(n1)[*:1] C[C@H](N1CCN(CC1)c1ncnc2sccc12)[*:1]
O=C(Cc1cc([O-])nc(SCc2ccc(F)cc2)n1)N1CCN(c2cccc[nH+]2)CC1 Fc1ccc(cc1)[*:1] O=C(Cc1cc([O-])nc(n1)SC[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(Cc1cc([O-])nc(SCc2ccc(F)cc2)n1)N1CCN(c2cccc[nH+]2)CC1 Fc1ccc(cc1)C[*:1] O=C(Cc1cc([O-])nc(n1)S[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(Cc1cc([O-])nc(SCc2ccc(F)cc2)n1)N1CCN(c2cccc[nH+]2)CC1 Fc1ccc(cc1)CS[*:1] O=C(Cc1cc([O-])nc(n1)[*:1])N1CCN(CC1)c1cccc[nH+]1
C[C@H](CNC(=O)NNc1cccnn1)Oc1ccc(F)cc1 c1cnnc(c1)[*:1] C[C@H](CNC(=O)NN[*:1])Oc1ccc(F)cc1
C[C@H](CNC(=O)NNc1cccnn1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)NNc1cccnn1)O[*:1]
COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4Cl)c3N2)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)[C@@H]1C[C@@H](n2ncc(C(=O)N[*:1])c2N1)C(F)(F)F
COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4Cl)c3N2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)[C@@H]1C[C@H](n2ncc(C(=O)Nc3ccccc3Cl)c2N1)[*:1]
COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4Cl)c3N2)cc1OC COc1ccc(cc1OC)[*:1] O=C(Nc1ccccc1Cl)c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)[*:1]
COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4Cl)c3N2)cc1OC O=C(Nc1ccccc1Cl)[*:1] COc1ccc(cc1OC)[C@@H]1C[C@@H](n2ncc(c2N1)[*:1])C(F)(F)F
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1cccc(F)c1)Nc1ccccc1F O=C(C[*:1])Nc1ccccc1F O=C(NN1C(=S)N(C(=O)[C@@H]1[*:1])c1ccccc1)c1cccc(F)c1
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1cccc(F)c1)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(C[C@H]1C(=O)N(C(=S)N1NC(=O)c1cccc(F)c1)[*:1])Nc1ccccc1F
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1cccc(F)c1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(C[C@H]1C(=O)N(C(=S)N1NC(=O)c1cccc(F)c1)c1ccccc1)N[*:1]
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1cccc(F)c1)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] O=C(NN1C(=S)N(C(=O)[C@@H]1C[*:1])c1ccccc1)c1cccc(F)c1
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1cccc(F)c1)Nc1ccccc1F Fc1cccc(c1)[*:1] O=C(C[C@H]1C(=O)N(C(=S)N1NC(=O)[*:1])c1ccccc1)Nc1ccccc1F
C[C@H]1CN(C/C(Cl)=C/Cl)C[C@@H](C)[NH2+]1 Cl/C=C(\Cl)[*:1] C[C@H]1CN(C[C@@H](C)[NH2+]1)C[*:1]
CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)C1(C)C CC(C)=C[*:1] CC1(C)[C@H]([C@H]1C(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1)[*:1]
CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)C1(C)C c1ccc(cc1)C[*:1] CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)[*:1])C1(C)C
CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)C1(C)C c1ccc(cc1)[*:1] CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[*:1])C1(C)C
N#Cc1ccc(OCC(=O)NNC(=O)c2cc(C3CC3)on2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)OCC(=O)NNC(=O)c1cc(on1)[*:1]
N#Cc1ccc(OCC(=O)NNC(=O)c2cc(C3CC3)on2)cc1 c1c(noc1C1CC1)[*:1] N#Cc1ccc(cc1)OCC(=O)NNC(=O)[*:1]
N#Cc1ccc(OCC(=O)NNC(=O)c2cc(C3CC3)on2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=O)c1cc(on1)C1CC1
c1cc(CC[NH+]2CCCC2)cc(NCc2ccsc2)c1 c1cc(cs1)C[*:1] c1cc(cc(c1)N[*:1])CC[NH+]1CCCC1
c1cc(CC[NH+]2CCCC2)cc(NCc2ccsc2)c1 c1cc(cs1)[*:1] c1cc(cc(c1)NC[*:1])CC[NH+]1CCCC1
CC(=O)N1CCN(C(=O)CN2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 CC(C)c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)CN1CCN(C1=O)[*:1]
CC(=O)N1CCN(C(=O)CN2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)C(=O)CN1CCN(C1=O)c1ccc(cc1)[*:1]
CC(=O)c1ccccc1NC(=O)CNc1ccc(C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccccc1NC(=O)CNc1ccc(cc1)C(=O)N[*:1]
CC(=O)c1ccccc1NC(=O)CNc1ccc(C(=O)Nc2ccccc2)cc1 CC(=O)[*:1] O=C(CNc1ccc(cc1)C(=O)Nc1ccccc1)Nc1ccccc1[*:1]
CC(=O)c1ccccc1NC(=O)CNc1ccc(C(=O)Nc2ccccc2)cc1 O=C(Nc1ccccc1)[*:1] CC(=O)c1ccccc1NC(=O)CNc1ccc(cc1)[*:1]
CC(=O)c1ccccc1NC(=O)CNc1ccc(C(=O)Nc2ccccc2)cc1 CC(=O)c1ccccc1[*:1] O=C(CNc1ccc(cc1)C(=O)Nc1ccccc1)N[*:1]
CN(C)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 CN(C)[*:1] O=C(Nc1cccc(Cl)c1Cl)c1ccc(cc1)[*:1]
Cc1ccc(/C=C(\C#N)C(=O)NC2CC2)o1 C1CC1[*:1] Cc1ccc(/C=C(\C#N)C(=O)N[*:1])o1
CC(C)[C@H]([NH3+])c1n[nH]c(-c2ccc(Br)o2)n1 CC(C)[*:1] [NH3+][C@H](c1n[nH]c(n1)-c1ccc(Br)o1)[*:1]
CC[C@@H](NC(=O)CCOc1ccccc1F)c1nc2ccccc2[nH]1 Fc1ccccc1[*:1] CC[C@@H](NC(=O)CCO[*:1])c1nc2ccccc2[nH]1
CC[C@@H](NC(=O)CCOc1ccccc1F)c1nc2ccccc2[nH]1 Fc1ccccc1O[*:1] CC[C@@H](NC(=O)CC[*:1])c1nc2ccccc2[nH]1
CNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(F)c(F)c2)c(=O)n1-c1ccccc1 Fc1ccc(cc1F)[*:1] CNC(=O)/C(C#N)=c1\sc(=C[*:1])c(=O)n1-c1ccccc1
CNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(F)c(F)c2)c(=O)n1-c1ccccc1 CNC(=O)[*:1] N#CC(=c1s/c(=C\c2ccc(F)c(F)c2)c(=O)n1-c1ccccc1)[*:1]
CNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(F)c(F)c2)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(F)c(F)c2)c(=O)n1[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)Nc1ccccc1)n2Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)Nc1ccccc1)n2C[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)Nc1ccccc1)n2Cc1cccc(Cl)c1 c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)N[*:1])n2Cc1cccc(Cl)c1
Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)Nc1ccccc1)n2Cc1cccc(Cl)c1 O=C(C[*:1])Nc1ccccc1 Cn1c(=O)[nH]c(=O)c2c1nc(S[*:1])n2Cc1cccc(Cl)c1
Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)Nc1ccccc1)n2Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)Nc1ccccc1)n2[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)Nc1ccccc1)n2Cc1cccc(Cl)c1 O=C(Nc1ccccc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SC[*:1])n2Cc1cccc(Cl)c1
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CC(C)C[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CC(C)[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)C[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CC(C)CC(C)(C)[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CCC[C@@H](C)[*:1] CC(C)CC(C)(C)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CCC[*:1] CC(C)CC(C)(C)C(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
C[C@H](NC(=O)CCc1ccccc1F)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)CCc1ccccc1F)[*:1]
CCNC(=O)c1cccc(NC(=O)C[S@@](=O)[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] CCNC(=O)c1cccc(c1)NC(=O)C[S@@](=O)[C@@H](C)[*:1]
CCNC(=O)c1cccc(NC(=O)C[S@@](=O)[C@@H](C)c2ccccc2)c1 C[C@@H](c1ccccc1)[*:1] CCNC(=O)c1cccc(c1)NC(=O)C[S@@](=O)[*:1]
CCNC(=O)c1cccc(NC(=O)C[S@@](=O)[C@@H](C)c2ccccc2)c1 CCNC(=O)[*:1] C[C@@H](c1ccccc1)[S@](=O)CC(=O)Nc1cccc(c1)[*:1]
C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1nc2ccccc2s1 C1CO[C@@H](C1)C[*:1] C[C@H](C(=O)N[*:1])N(C)Cc1nc2ccccc2s1
C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1nc2ccccc2s1 C1CO[C@@H](C1)[*:1] C[C@H](C(=O)NC[*:1])N(C)Cc1nc2ccccc2s1
Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(F)c(F)c2)o1 Cc1ccc(o1)[*:1] C[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)[*:1]
COc1ccc([C@@H](C)COC(=O)c2cnc([C@@H]3CCCO3)s2)cc1 COc1ccc(cc1)[*:1] C[C@@H](COC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
COc1ccc([C@@H](C)COC(=O)c2cnc([C@@H]3CCCO3)s2)cc1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1)[C@@H](C)COC(=O)c1cnc(s1)[*:1]
CCO[C@H]1C[C@H]1C(=O)N[C@H](C(=O)OC)c1ccc(Cl)c(F)c1 CCO[*:1] COC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]1[*:1])c1ccc(Cl)c(F)c1
CCO[C@H]1C[C@H]1C(=O)N[C@H](C(=O)OC)c1ccc(Cl)c(F)c1 COC(=O)[*:1] CCO[C@H]1C[C@H]1C(=O)N[C@H](c1ccc(Cl)c(F)c1)[*:1]
C[C@@H](Sc1ncnc2sc3c(c12)CCCC3)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](Sc1ncnc2sc3CCCCc3c12)c1nnc(o1)[*:1]
COc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2C)c(OC)c1OC Cc1ccccc1[*:1] COc1ccc(c(OC)c1OC)[C@H]1CC(=O)Nc2c1cnn2[*:1]
CCOC(=O)c1cc(=O)c2ccc(OC(=O)c3cccs3)cc2o1 O=C(O[*:1])c1cccs1 CCOC(=O)c1cc(=O)c2ccc(cc2o1)[*:1]
CCOC(=O)c1cc(=O)c2ccc(OC(=O)c3cccs3)cc2o1 CCOC(=O)[*:1] O=C(Oc1ccc2c(=O)cc(oc2c1)[*:1])c1cccs1
CCOC(=O)c1cc(=O)c2ccc(OC(=O)c3cccs3)cc2o1 c1csc(c1)[*:1] CCOC(=O)c1cc(=O)c2ccc(cc2o1)OC(=O)[*:1]
Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N([C@@H]1CCS(=O)(=O)C1)C3=O O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(C)c2oc3C(=O)N([C@@H](c3c(=O)c2c1)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N([C@@H]1CCS(=O)(=O)C1)C3=O O=[N+]([O-])[*:1] Cc1cc(C)c2oc3C(=O)N([C@@H](c4ccc(cc4)[*:1])c3c(=O)c2c1)[C@@H]1CCS(=O)(=O)C1
O=C(NCc1nccc2ccccc12)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] O=C(NCc1nccc2ccccc12)c1ccc(cc1)[*:1]
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCCc1ncnn1C FC(F)(F)[*:1] CN(C)c1ccc(cc1NC(=O)NCCc1ncnn1C)[*:1]
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCCc1ncnn1C Cn1ncnc1C[*:1] CN(C)c1ccc(cc1NC(=O)NC[*:1])C(F)(F)F
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCCc1ncnn1C CN(C)[*:1] Cn1ncnc1CCNC(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCCc1ncnn1C Cn1ncnc1[*:1] CN(C)c1ccc(cc1NC(=O)NCC[*:1])C(F)(F)F
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCCc1ncnn1C Cn1ncnc1CC[*:1] CN(C)c1ccc(cc1NC(=O)N[*:1])C(F)(F)F
C[NH2+][C@]1(CO)CCC[C@@H](OCC2CCCC2)C1 C1CCC(C1)[*:1] C[NH2+][C@]1(CO)CCC[C@H](C1)OC[*:1]
CCOc1ccccc1C(=O)N1CCC[C@H](C(C)(C)C(=O)OC)C1 CCO[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)N1CCC[C@H](C(C)(C)C(=O)OC)C1 COC(=O)C(C)(C)[*:1] CCOc1ccccc1C(=O)N1CCC[C@H](C1)[*:1]
CCOc1ccccc1C(=O)N1CCC[C@H](C(C)(C)C(=O)OC)C1 COC(=O)[*:1] CCOc1ccccc1C(=O)N1CCC[C@@H](C1)C(C)(C)[*:1]
C[NH+]1CCN(CCCNc2ncc(-c3cccs3)c(-c3nccs3)n2)CC1 c1csc(n1)[*:1] C[NH+]1CCN(CCCNc2ncc(-c3cccs3)c(n2)[*:1])CC1
C[NH+]1CCN(CCCNc2ncc(-c3cccs3)c(-c3nccs3)n2)CC1 c1csc(c1)[*:1] C[NH+]1CCN(CCCNc2ncc(c(n2)-c2nccs2)[*:1])CC1
CN(C)c1ccccc1NC(=O)CCSc1ccc(F)cc1 CN(C)[*:1] O=C(CCSc1ccc(F)cc1)Nc1ccccc1[*:1]
CN(C)c1ccccc1NC(=O)CCSc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C)c1ccccc1NC(=O)CCS[*:1]
O=S(=O)(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] O=S(=O)(NCc1cn(nc1-c1ccccc1)[*:1])c1ccccc1
O=S(=O)(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCc1cn(C[*:1])nc1-c1ccccc1)c1ccccc1
O=S(=O)(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCc1cn(Cc2ccccc2)nc1[*:1])c1ccccc1
O=S(=O)(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)[*:1]
CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(Br)cc2)Oc2ccccc21 Brc1ccc(cc1)[*:1] CS(=O)(=O)N1CC[C@@H](Oc2ccccc21)C(=O)N[*:1]
Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)S[C@@H](C)C(=O)NCc1ccc(cc1)[*:1]
Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 Cc1ccc(cc1)S[*:1] C[C@@H](C(=O)NCc1ccc(cc1)C(=O)N1CCOCC1)[*:1]
Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)NCc1ccc(cc1)C(=O)N1CCOCC1
CCCN(CCC)C(=O)c1ccc[nH]c1=O CCC[*:1] CCCN(C(=O)c1ccc[nH]c1=O)[*:1]
CCC[NH2+][C@@H](CC)c1ccn(C[C@@H]2CN(C)CCO2)c1 CCC[*:1] CC[C@H]([NH2+][*:1])c1ccn(c1)C[C@@H]1CN(C)CCO1
Cc1cc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c(C)n1[*:1]
Cc1cc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c(C)n1C1CC1 CC(C)[*:1] Cc1cc(C(=O)N[C@@H](C(=O)N2CCOCC2)[*:1])c(C)n1C1CC1
Cc1cc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c(C)n1C1CC1 O=C(N1CCOCC1)[*:1] Cc1cc(C(=O)N[C@@H](C(C)C)[*:1])c(C)n1C1CC1
Cc1cc(C)n(-c2ccc(CSc3n[nH]c(=O)n3C[C@@H]3CCCO3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=c1[nH]nc(SCc2ccc(cc2)[*:1])n1C[C@@H]1CCCO1
O=C(C[n+]1ccc2c(c1)CCCC2)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(C[n+]1ccc2CCCCc2c1)NC[*:1]
CCN(Cc1cccc(C)n1)[C@@H](C[NH3+])C(C)C CC(C)[*:1] CCN(Cc1cccc(C)n1)[C@@H](C[NH3+])[*:1]
COc1cc(NC(C)=O)c(Cl)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COc1cc(NC(C)=O)c(Cl)cc1C(=O)N1CCN(CC1)[*:1]
COc1cc(NC(C)=O)c(Cl)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 CC(=O)N[*:1] COc1cc(c(Cl)cc1C(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
CC[C@@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)c1ccncc1 C1CCN(C1)[*:1] CC[C@@H](NC(=O)N[C@@H](C)c1cccc(c1)[*:1])c1ccncc1
CC[C@@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N[C@@H](C)c1cccc(c1)N1CCCC1)[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H](c2ccccc2Cl)C1 CNC(=O)[*:1] Clc1ccccc1[C@H]1CN(CCO1)Cc1ccccc1OC[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H](c2ccccc2Cl)C1 CNC(=O)C[*:1] Clc1ccccc1[C@H]1CN(CCO1)Cc1ccccc1O[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H](c2ccccc2Cl)C1 Clc1ccccc1[*:1] CNC(=O)COc1ccccc1CN1CCO[C@@H](C1)[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H](c2ccccc2Cl)C1 CNC(=O)CO[*:1] Clc1ccccc1[C@H]1CN(CCO1)Cc1ccccc1[*:1]
Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C=O)o1 Cc1ccc(o1)[*:1] O=Cc1cn(nc1[*:1])-c1ccccc1Cl
CCc1sc(C(=O)N2CCN(c3ccccc3O)CC2)cc1C Oc1ccccc1[*:1] CCc1sc(cc1C)C(=O)N1CCN(CC1)[*:1]
COc1ccc(NC(=O)N(C)Cc2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] COc1ccc(cc1)NC(=O)N(C)C[*:1]
C[C@H]1CN(CC(=O)NCc2ccccc2[N+](=O)[O-])c2ccccc2NC1=O O=[N+]([O-])[*:1] C[C@H]1CN(CC(=O)NCc2ccccc2[*:1])c2ccccc2NC1=O
C[C@H]1CN(CC(=O)NCc2ccccc2[N+](=O)[O-])c2ccccc2NC1=O O=[N+]([O-])c1ccccc1[*:1] C[C@H]1CN(CC(=O)NC[*:1])c2ccccc2NC1=O
CC(C)NC(=O)NC(=O)CSc1nnc(NC(C)(C)C)s1 CC(C)(C)[*:1] CC(C)NC(=O)NC(=O)CSc1nnc(N[*:1])s1
CC(C)NC(=O)NC(=O)CSc1nnc(NC(C)(C)C)s1 CC(C)[*:1] CC(C)(C)Nc1nnc(SCC(=O)NC(=O)N[*:1])s1
CC(C)NC(=O)NC(=O)CSc1nnc(NC(C)(C)C)s1 CC(C)(C)N[*:1] CC(C)NC(=O)NC(=O)CSc1nnc(s1)[*:1]
CCN1CCN[C@@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O COc1cccc(c1)[*:1] CCN1CCN[C@@H](Cc2ccc(cc2)[*:1])C1=O
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\NC(=O)Cn1c(NCCO)[nH+]c3ccccc31)C2 OCC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)/C(C2)=N\NC(=O)Cn1c(N[*:1])[nH+]c2ccccc21
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\NC(=O)Cn1c(NCCO)[nH+]c3ccccc31)C2 OCCN[*:1] CC1(C)[C@@H]2CC[C@@]1(C)/C(C2)=N\NC(=O)Cn1c([nH+]c2ccccc21)[*:1]
O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 c1nc(cs1)C[*:1] O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 O=c1ccc(c[nH]1)[*:1] O=C(N1CCC[C@H](C1)c1[nH+]ccn1Cc1cscn1)[*:1]
O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 c1nc(cs1)[*:1] O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
COc1ccc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])s4)n3)oc2c1 O=[N+]([O-])[*:1] COc1ccc2cc(oc2c1)-c1csc(n1)NC(=O)c1ccc(s1)[*:1]
COc1ccc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])s4)n3)oc2c1 O=[N+]([O-])c1ccc(s1)[*:1] COc1ccc2cc(oc2c1)-c1csc(n1)NC(=O)[*:1]
Cc1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@@H]1C[C@H]1c1ccccc1
Cc1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1S(C)(=O)=O c1ccc(cc1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[C@@H]1C[C@@H]1[*:1]
CNC(=O)[C@]1(C)CN(S(=O)(=O)c2ccc(F)c(F)c2)CCO1 CNC(=O)[*:1] C[C@@]1(CN(CCO1)S(=O)(=O)c1ccc(F)c(F)c1)[*:1]
Cc1ccccc1-n1cnnc1S[C@H](C)c1nnc(-c2cccs2)o1 Cc1ccccc1[*:1] C[C@@H](Sc1nncn1[*:1])c1nnc(o1)-c1cccs1
Cc1ccccc1-n1cnnc1S[C@H](C)c1nnc(-c2cccs2)o1 c1csc(c1)[*:1] Cc1ccccc1-n1cnnc1S[C@H](C)c1nnc(o1)[*:1]
O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)ccc2c1=O C1CC1[*:1] O=C([O-])c1cn(c2cc(ccc2c1=O)N1CC[NH2+]CC1)[*:1]
O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)ccc2c1=O O=C([O-])[*:1] O=c1c(cn(c2cc(ccc12)N1CC[NH2+]CC1)C1CC1)[*:1]
CC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](Cc2ccccc2)CC1 c1csc(c1)C[*:1] CC[C@@H](c1nnnn1[*:1])N1CC[NH+](CC1)Cc1ccccc1
CC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](CC1)[*:1]
CC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](Cc2ccccc2)CC1 c1csc(c1)[*:1] CC[C@@H](c1nnnn1C[*:1])N1CC[NH+](CC1)Cc1ccccc1
CC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](CC1)C[*:1]
O=C(NCCOc1cccnc1)[C@]12CC[C@H](C[C@@H]1Br)C2 c1cncc(c1)[*:1] O=C(NCCO[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
Clc1nc2ccccn2c1CN1CCC[C@H](c2nccs2)C1 c1csc(n1)[*:1] Clc1nc2ccccn2c1CN1CCC[C@H](C1)[*:1]
CCOC(=O)N1CCN(C[C@H](O)CO[C@H]2CCC[C@@H]2C)CC1 C[C@H]1CCC[C@@H]1[*:1] CCOC(=O)N1CCN(CC1)C[C@H](O)CO[*:1]
Cc1cc(C)cc(C[S@@](=O)[C@@H](C)CC#N)c1 N#CC[*:1] Cc1cc(C)cc(c1)C[S@@](=O)[C@@H](C)[*:1]
Cc1cc(C)cc(C[S@@](=O)[C@@H](C)CC#N)c1 C[C@@H](CC#N)[*:1] Cc1cc(C)cc(c1)C[S@@](=O)[*:1]
Cc1cscc1C(=O)Nc1ccc(C#CC[NH3+])cc1 Cc1cscc1[*:1] [NH3+]CC#Cc1ccc(cc1)NC(=O)[*:1]
Cc1cscc1C(=O)Nc1ccc(C#CC[NH3+])cc1 [NH3+]CC#C[*:1] Cc1cscc1C(=O)Nc1ccc(cc1)[*:1]
NC(=O)[C@@H]1CCCCN1C(=O)c1ccnc(OC2CCC2)c1 NC(=O)[*:1] O=C(c1ccnc(c1)OC1CCC1)N1CCCC[C@H]1[*:1]
NC(=O)[C@@H]1CCCCN1C(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] NC(=O)[C@@H]1CCCCN1C(=O)c1ccnc(c1)O[*:1]
NC(=O)[C@@H]1CCCCN1C(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] NC(=O)[C@@H]1CCCCN1C(=O)c1ccnc(c1)[*:1]
CN1CCc2nc3sc(C(=O)Nc4ccc5c(c4)OCO5)c(N)c3cc2C1 c1cc2OCOc2cc1[*:1] CN1CCc2nc3sc(C(=O)N[*:1])c(N)c3cc2C1
O=C(Cn1ccc2c(nnc3ccnn32)c1=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(Cn1ccc2c(nnc3ccnn32)c1=O)N[*:1]
CO[C@@H](C)[C@@H](O)Cc1cc(Cl)ccc1Cl CO[C@@H](C)[*:1] O[C@@H](Cc1cc(Cl)ccc1Cl)[*:1]
CCOC(=O)c1cn[nH]c1-c1ccccc1C(F)(F)F FC(F)(F)[*:1] CCOC(=O)c1cn[nH]c1-c1ccccc1[*:1]
CCOC(=O)c1cn[nH]c1-c1ccccc1C(F)(F)F CCOC(=O)[*:1] FC(F)(F)c1ccccc1-c1[nH]ncc1[*:1]
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 C#Cc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)[C@@H]1CC(=O)N(C1)CC(F)(F)F
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 FC(F)(F)C[*:1] C#Cc1cccc(c1)NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 FC(F)(F)[*:1] C#Cc1cccc(c1)NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F Cc1ccccc1NC(=O)C[*:1] Cn1c(=O)c2c(nc(S[*:1])n2Cc2ccccc2F)n(C)c1=O
Cc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F Fc1ccccc1C[*:1] Cc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
Cc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F Fc1ccccc1[*:1] Cc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
Cc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F Cc1ccccc1[*:1] Cn1c(=O)c2c(nc(SCC(=O)N[*:1])n2Cc2ccccc2F)n(C)c1=O
Cc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F Cc1ccccc1NC(=O)[*:1] Cn1c(=O)c2c(nc(SC[*:1])n2Cc2ccccc2F)n(C)c1=O
COCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 COCCNC(=O)C[*:1] O=C1c2ccccc2[C@H](c2c([nH]c3ccccc23)-c2ccccc2)N1[*:1]
COCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 COCCNC(=O)[*:1] O=C1c2ccccc2[C@H](c2c([nH]c3ccccc23)-c2ccccc2)N1C[*:1]
COCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 c1ccc(cc1)[*:1] COCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c([nH]c2ccccc12)[*:1]
COCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 COCC[*:1] O=C(CN1C(=O)c2ccccc2[C@@H]1c1c([nH]c2ccccc12)-c1ccccc1)N[*:1]
COCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 COC[*:1] O=C(CN1C(=O)c2ccccc2[C@@H]1c1c([nH]c2ccccc12)-c1ccccc1)NC[*:1]
CC[C@](O)(c1ccccc1)[C@H](C)C[NH+]1CCCCC1 c1ccc(cc1)[*:1] CC[C@](O)([C@H](C)C[NH+]1CCCCC1)[*:1]
COc1cccc(C[NH2+]Cc2cccc(N(C)C)c2)c1 CN(C)[*:1] COc1cccc(c1)C[NH2+]Cc1cccc(c1)[*:1]
Cc1c(CCNCc2ncc(-c3ccccc3)s2)cnn1C Cc1c(cnn1C)[*:1] c1ccc(cc1)-c1cnc(CNCC[*:1])s1
Cc1c(CCNCc2ncc(-c3ccccc3)s2)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)CCNCc1ncc(s1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 c1cc2ccc(nc2[nH]1)[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc2cc[nH]c2n1
CC(=O)[C@@H]1C[C@@H](CC(=O)N[C@H](Cn2nnc3ccccc32)C(C)C)C1(C)C c1ccc2c(c1)nnn2[*:1] CC(=O)[C@@H]1C[C@@H](CC(=O)N[C@H](C[*:1])C(C)C)C1(C)C
CC(=O)[C@@H]1C[C@@H](CC(=O)N[C@H](Cn2nnc3ccccc32)C(C)C)C1(C)C CC(=O)[*:1] CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)C[C@@H]1C[C@H](C1(C)C)[*:1]
CC(=O)[C@@H]1C[C@@H](CC(=O)N[C@H](Cn2nnc3ccccc32)C(C)C)C1(C)C CC(C)[*:1] CC(=O)[C@@H]1C[C@@H](CC(=O)N[C@H](Cn2nnc3ccccc32)[*:1])C1(C)C
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NNC(=O)CCC(C)C CC(C)CC[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NNC(=O)[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NNC(=O)CCC(C)C CC(C)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NNC(=O)CC[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NNC(=O)CCC(C)C Cc1n[nH]c(C)c1[*:1] CC(C)CCC(=O)NNC(=O)N1CCC[C@H]1[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NNC(=O)CCC(C)C CC(C)C[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NNC(=O)C[*:1]
NC(=O)c1cc(N)cc(Br)c1 NC(=O)[*:1] Nc1cc(Br)cc(c1)[*:1]
Cc1noc(C)c1N(C)C(=O)NCC[S@@](=O)Cc1ccccc1 Cc1noc(C)c1[*:1] CN(C(=O)NCC[S@@](=O)Cc1ccccc1)[*:1]
Cc1noc(C)c1N(C)C(=O)NCC[S@@](=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1noc(C)c1N(C)C(=O)NCC[S@@](=O)[*:1]
Cc1noc(C)c1N(C)C(=O)NCC[S@@](=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1N(C)C(=O)NCC[S@@](=O)C[*:1]
C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H]1O c1ccc(cc1)C[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1cc(ccc1N[*:1])[N+](=O)[O-]
C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1cc(ccc1NC[*:1])[N+](=O)[O-]
C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H]1O c1ccc(cc1)CN[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1cc(ccc1[*:1])[N+](=O)[O-]
C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H]1O O=[N+]([O-])[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1cc(ccc1NCc1ccccc1)[*:1]
C[C@@]1(Cl)C(=O)C[C@H](c2ccccc2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(Cl)C(=O)C[C@H](c2ccccc2)[C@@H]1[*:1]
C[C@@]1(Cl)C(=O)C[C@H](c2ccccc2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(Cl)C(=O)C[C@H]([C@H]1c1ccccc1)[*:1]
COc1ccc(/C=C/C(=O)[O-])cc1F O=C([O-])[*:1] COc1ccc(C=C[*:1])cc1F
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)C1 CC[C@@H](C)[*:1] Cc1ccc(s1)-c1nc(NC(=O)[C@H]2CCCN(C2)C(=O)[*:1])sc1C
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)C1 Cc1ccc(s1)[*:1] CC[C@@H](C)C(=O)N1CCC[C@@H](C1)C(=O)Nc1nc(c(C)s1)[*:1]
COC(CNC(=O)CN1CC[NH2+]CC1)OC COC(OC)[*:1] O=C(CN1CC[NH2+]CC1)NC[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Cc1c(C)nc2ccccc2c1C COC(=O)[*:1] Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CCCCC[C@H]1[*:1]
O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)c1n[nH]c2c(Cl)cccc12 O=C(NC1CCCC1)[*:1] O=C(c1n[nH]c2c(Cl)cccc12)N1CCC[C@H]1[*:1]
O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)c1n[nH]c2c(Cl)cccc12 C1CCC(C1)[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1n[nH]c2c(Cl)cccc12
NC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] NC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
NC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 NC(=O)N[*:1] Clc1ccc(cc1)[C@@H](c1ccccc1)[*:1]
C[C@H](NC(=O)c1cc(F)c(F)c(F)c1)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@H](NC(=O)c1cc(F)c(F)c(F)c1)c1cccc(c1)[*:1]
Cc1cccc(OCCNC(=O)c2ccc3[nH]cnc3c2)c1 Cc1cccc(c1)[*:1] O=C(NCCO[*:1])c1ccc2[nH]cnc2c1
Cc1ccc(-c2csnn2)cc1NC(=O)CCn1cnc2ccccc2c1=O c1snnc1[*:1] Cc1ccc(cc1NC(=O)CCn1cnc2ccccc2c1=O)[*:1]
CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C(=O)c2cc(C(C)C)on2)C1 c1csc(n1)[*:1] CC(=O)N[C@H]([C@H]1CCCN(C1)C(=O)c1cc(on1)C(C)C)[*:1]
CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C(=O)c2cc(C(C)C)on2)C1 CC(C)[*:1] CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C1)C(=O)c1cc(on1)[*:1]
CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C(=O)c2cc(C(C)C)on2)C1 CC(=O)N[*:1] CC(C)c1cc(no1)C(=O)N1CCC[C@@H](C1)[C@@H](c1nccs1)[*:1]
CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C(=O)c2cc(C(C)C)on2)C1 CC(C)c1cc(no1)[*:1] CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C1)C(=O)[*:1]
CCOc1ccc(CC(=O)Nc2ccc(OC)nc2)cc1 CCO[*:1] COc1ccc(cn1)NC(=O)Cc1ccc(cc1)[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)c1ccc(cc1)[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1ccc(-c2ccccc2)cc1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])c1ccc(cc1)-c1ccccc1
C[C@@]12CC[C@@H](OC(=O)Nc3ccccc3)[C@@](C)(CO)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)N1CCCC1 O=C(Nc1ccccc1)O[*:1] C[C@@]12CC[C@@H]([C@@](C)(CO)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)N1CCCC1)[*:1]
C[C@@]12CC[C@@H](OC(=O)Nc3ccccc3)[C@@](C)(CO)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 C[C@@]12CC[C@@H](OC(=O)Nc3ccccc3)[C@@](C)(CO)[C@@H]1CC[C@@H](O)[C@@H]2[*:1]
C[C@@]12CC[C@@H](OC(=O)Nc3ccccc3)[C@@](C)(CO)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@@]12CC[C@@H](OC(=O)Nc3ccccc3)[C@@](C)(CO)[C@@H]1CC[C@@H](O)[C@H]2C[*:1]
C[C@@]12CC[C@@H](OC(=O)Nc3ccccc3)[C@@](C)(CO)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)N1CCCC1 c1ccc(cc1)[*:1] C[C@@]12CC[C@@H](OC(=O)N[*:1])[C@@](C)(CO)[C@@H]1CC[C@@H](O)[C@H]2CC(=O)N1CCCC1
CN(C)C(=O)c1ccc(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cc1 Fc1ccccc1[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)[C@H]1CS[C@H](C[*:1])C(=O)N1
CN(C)C(=O)c1ccc(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cc1 Fc1ccccc1C[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)[C@H]1CS[C@H](C(=O)N1)[*:1]
CN(C)C(=O)c1ccc(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cc1 CN(C)C(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1
Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)N[*:1]
Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl Cc1ccccc1[*:1] Cc1nnc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)n1[*:1]
CCC[NH2+][C@@H](Cc1nccn1C)C1Cc2ccccc2C1 CCC[*:1] Cn1ccnc1C[C@H]([NH2+][*:1])C1Cc2ccccc2C1
CCC[NH2+][C@@H](Cc1nccn1C)C1Cc2ccccc2C1 Cn1ccnc1C[*:1] CCC[NH2+][C@@H](C1Cc2ccccc2C1)[*:1]
CCC[NH2+][C@@H](Cc1nccn1C)C1Cc2ccccc2C1 Cn1ccnc1[*:1] CCC[NH2+][C@@H](C[*:1])C1Cc2ccccc2C1
NC(=O)[C@H]1CC(C(=O)[O-])=NN1c1ccc(F)cc1 NC(=O)[*:1] O=C([O-])C1C[C@@H](N(N=1)c1ccc(F)cc1)[*:1]
Cc1ccn(-c2ccc(N[C@@H](CCO)c3cccs3)nn2)n1 Cc1ccn(n1)[*:1] OCC[C@H](Nc1ccc(nn1)[*:1])c1cccs1
Cc1ccn(-c2ccc(N[C@@H](CCO)c3cccs3)nn2)n1 c1csc(c1)[*:1] Cc1ccn(n1)-c1ccc(nn1)N[C@@H](CCO)[*:1]
Cc1ccn(-c2ccc(N[C@@H](CCO)c3cccs3)nn2)n1 OCC[*:1] Cc1ccn(n1)-c1ccc(nn1)N[C@@H](c1cccs1)[*:1]
Cc1csc(NC(=O)CN2CCN(Cc3cccs3)CC2)n1 c1csc(c1)[*:1] Cc1csc(n1)NC(=O)CN1CCN(CC1)C[*:1]
Cc1csc(NC(=O)CN2CCN(Cc3cccs3)CC2)n1 c1csc(c1)C[*:1] Cc1csc(n1)NC(=O)CN1CCN(CC1)[*:1]
Cc1csc(NC(=O)CN2CCN(Cc3cccs3)CC2)n1 Cc1csc(n1)[*:1] O=C(CN1CCN(CC1)Cc1cccs1)N[*:1]
COc1ccc(-c2csc(NC(=O)c3cc(F)cc4nc(C)c(C)nc34)n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1nc2cc(F)cc(C(=O)Nc3nc(cs3)[*:1])c2nc1C
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cc3c4ccccc4n(C)c3s2)cc1 CC(=O)N[*:1] Cn1c2ccccc2c2cc(sc21)C(=O)NNS(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cc3c4ccccc4n(C)c3s2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cn1c2ccccc2c2cc(sc21)C(=O)NNS(=O)(=O)[*:1]
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)C(=O)N[*:1]
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)C(=O)Nc1ccncc1 FC(F)O[*:1] N#C/C(=C/c1ccc(c(Cl)c1)[*:1])C(=O)Nc1ccncc1
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)C(=O)Nc1ccncc1 FC(F)[*:1] N#C/C(=C/c1ccc(O[*:1])c(Cl)c1)C(=O)Nc1ccncc1
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2csc(C(=O)[O-])c2C)cc1 O=C([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)Oc1csc(c1C)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2csc(C(=O)[O-])c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(csc1C(=O)[O-])OC(=O)[C@H](C)NS(=O)(=O)[*:1]
O=C(NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Oc1ccc(C=NNC(=O)[*:1])cc1)c1ccc2OCOc2c1
O=C(NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(NN=Cc1ccc(cc1)OC(=O)[*:1])c1ccc2OCOc2c1
S=C(N/N=C\c1ccc(Cl)c(Cl)c1)Nc1ccccc1 c1ccc(cc1)[*:1] S=C(N/N=C\c1ccc(Cl)c(Cl)c1)N[*:1]
Cc1c([C@H]2CC(=O)N[C@H]2CC(C)C)cnn1C CC(C)C[*:1] Cc1c(cnn1C)[C@H]1CC(=O)N[C@@H]1[*:1]
Cc1c([C@H]2CC(=O)N[C@H]2CC(C)C)cnn1C CC(C)[*:1] Cc1c(cnn1C)[C@H]1CC(=O)N[C@H]1C[*:1]
C[C@H](CO)NC(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 c1cn2cc(nc2s1)[*:1] C[C@H](CO)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC1(CNC(=O)CC[NH2+]C(C)(C)C)COC1 CC1(COC1)[*:1] CC(C)(C)[NH2+]CCC(=O)NC[*:1]
CC1(CNC(=O)CC[NH2+]C(C)(C)C)COC1 CC(C)(C)[*:1] CC1(CNC(=O)CC[NH2+][*:1])COC1
COc1ccc(S(=O)(=O)N2CCN(c3[nH+]cccc3C(F)(F)F)CC2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1[nH+]cccc1[*:1]
COc1ccc(S(=O)(=O)N2CCN(c3[nH+]cccc3C(F)(F)F)CC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)c1[nH+]cccc1C(F)(F)F)[*:1]
N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
NC(=O)CNC(=O)c1ccc(OCc2csc(C3CCCC3)n2)cc1 NC(=O)[*:1] O=C(NC[*:1])c1ccc(cc1)OCc1csc(n1)C1CCCC1
NC(=O)CNC(=O)c1ccc(OCc2csc(C3CCCC3)n2)cc1 C1CCC(C1)[*:1] NC(=O)CNC(=O)c1ccc(cc1)OCc1csc(n1)[*:1]
NC(=O)CNC(=O)c1ccc(OCc2csc(C3CCCC3)n2)cc1 NC(=O)CNC(=O)[*:1] c1cc(ccc1OCc1csc(n1)C1CCCC1)[*:1]
NC(=O)CNC(=O)c1ccc(OCc2csc(C3CCCC3)n2)cc1 NC(=O)C[*:1] O=C(N[*:1])c1ccc(cc1)OCc1csc(n1)C1CCCC1
COCc1nc(C)cc(N[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] COCc1nc(C)cc(n1)N[C@H](C(=O)Nc1ccccc1)[*:1]
COCc1nc(C)cc(N[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] COCc1nc(C)cc(n1)N[C@H](C(=O)N[*:1])c1ccccc1
COCc1nc(C)cc(N[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 O=C(Nc1ccccc1)[*:1] COCc1nc(C)cc(n1)N[C@H](c1ccccc1)[*:1]
COCc1nc(C)cc(N[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N[C@H](C(=O)Nc1ccccc1)c1ccccc1
C[C@@H](Oc1ccccc1C#N)C(=O)NNc1cc(C#N)cc(Cl)n1 N#Cc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)NNc1cc(C#N)cc(Cl)n1
CCC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1F CCC(C)(C)[*:1] O=C(NNC(=O)[*:1])c1ccc(Cl)cc1F
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(F)c(F)c1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)Nc1ccc(F)c(F)c1)[*:1]
CC[NH+](CC(=O)Nc1c(Cl)cc(N)cc1Cl)CC(C)C CC(C)[*:1] CC[NH+](CC(=O)Nc1c(Cl)cc(N)cc1Cl)C[*:1]
CC[NH+](CC(=O)Nc1c(Cl)cc(N)cc1Cl)CC(C)C CC(C)C[*:1] CC[NH+](CC(=O)Nc1c(Cl)cc(N)cc1Cl)[*:1]
Cc1cc(C)n(CC(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)n1 Cc1cc(C)n(n1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C[*:1]
Cc1cc(C)n(CC(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)n1 C[C@H]1CCCC[C@@H]1[*:1] Cc1cc(C)n(CC(=O)OCC(=O)N[*:1])n1
Cc1ccc(NC(=O)OC(C)(C)C)cc1OCC(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1ccc(cc1OC[*:1])NC(=O)OC(C)(C)C
Cc1ccc(NC(=O)OC(C)(C)C)cc1OCC(=O)NC1CC1 C1CC1[*:1] Cc1ccc(cc1OCC(=O)N[*:1])NC(=O)OC(C)(C)C
Cc1ccc(NC(=O)OC(C)(C)C)cc1OCC(=O)NC1CC1 CC(C)(C)[*:1] Cc1ccc(cc1OCC(=O)NC1CC1)NC(=O)O[*:1]
Cc1ccc(NC(=O)OC(C)(C)C)cc1OCC(=O)NC1CC1 O=C(C[*:1])NC1CC1 Cc1ccc(cc1O[*:1])NC(=O)OC(C)(C)C
C[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)[*:1]
N#CCc1ccc(OC[C@@H](O)CN2C(=O)C[C@@]3(CCSC3)C2=O)cc1 N#CC[*:1] O=C1C[C@@]2(CCSC2)C(=O)N1C[C@H](O)COc1ccc(cc1)[*:1]
CCn1ncc(NC(=O)COc2ccccc2C)c(N2CCCCC2)c1=O C1CCN(CC1)[*:1] CCn1ncc(NC(=O)COc2ccccc2C)c(c1=O)[*:1]
CCn1ncc(NC(=O)COc2ccccc2C)c(N2CCCCC2)c1=O Cc1ccccc1O[*:1] CCn1ncc(NC(=O)C[*:1])c(c1=O)N1CCCCC1
CCn1ncc(NC(=O)COc2ccccc2C)c(N2CCCCC2)c1=O Cc1ccccc1[*:1] CCn1ncc(NC(=O)CO[*:1])c(c1=O)N1CCCCC1
CCn1ncc(NC(=O)COc2ccccc2C)c(N2CCCCC2)c1=O Cc1ccccc1OC[*:1] CCn1ncc(NC(=O)[*:1])c(c1=O)N1CCCCC1
O=C(C1CC[NH+](Cc2nnsc2Cl)CC1)N1CCCC1 Clc1snnc1[*:1] O=C(C1CC[NH+](CC1)C[*:1])N1CCCC1
COC[C@H]1CN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CCO1 COC[*:1] O=C(N[C@H]1CCN(C1)c1c(F)cccc1F)N1CCO[C@H](C1)[*:1]
COC[C@H]1CN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CCO1 Fc1cccc(F)c1[*:1] COC[C@H]1CN(CCO1)C(=O)N[C@H]1CCN(C1)[*:1]
Cc1cccc(N2N=C(C(=O)N3CCN(Cc4cccs4)CC3)CCC2=O)c1 c1csc(c1)[*:1] Cc1cccc(c1)N1N=C(CCC1=O)C(=O)N1CCN(CC1)C[*:1]
Cc1cccc(N2N=C(C(=O)N3CCN(Cc4cccs4)CC3)CCC2=O)c1 Cc1cccc(c1)[*:1] O=C(C1CCC(=O)N(N=1)[*:1])N1CCN(CC1)Cc1cccs1
Cc1cccc(N2N=C(C(=O)N3CCN(Cc4cccs4)CC3)CCC2=O)c1 c1csc(c1)C[*:1] Cc1cccc(c1)N1N=C(CCC1=O)C(=O)N1CCN(CC1)[*:1]
CCOc1ncnc(NCc2[nH]cc[nH+]2)c1N CCO[*:1] Nc1c(ncnc1[*:1])NCc1[nH]cc[nH+]1
CN(C)/C=C/C(=O)c1ccc(Sc2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)/C=C/C(=O)c1ccc(cc1)S[*:1]
CN(C)/C=C/C(=O)c1ccc(Sc2ccccc2)cc1 CN(C)C=C[*:1] O=C(c1ccc(cc1)Sc1ccccc1)[*:1]
CN(C)/C=C/C(=O)c1ccc(Sc2ccccc2)cc1 CN(C)[*:1] O=C(C=C[*:1])c1ccc(cc1)Sc1ccccc1
Clc1csc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 c1ccc([nH+]c1)[*:1] Clc1csc(c1)C[NH2+]C1CCN(CC1)[*:1]
Clc1csc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 Clc1csc(c1)[*:1] c1ccc([nH+]c1)N1CCC(CC1)[NH2+]C[*:1]
Cc1cc(N2CCO[C@@H](C(N)=S)C2)n2ncnc2n1 NC(=S)[*:1] Cc1cc(N2CCO[C@@H](C2)[*:1])n2ncnc2n1
COc1ccc(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1NC(=O)OC(C)(C)C CS(=O)(=O)N[*:1] COc1ccc(cc1NC(=O)OC(C)(C)C)NC(=O)N1CCC[C@H](C1)[*:1]
COc1ccc(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1NC(=O)OC(C)(C)C CC(C)(C)[*:1] COc1ccc(cc1NC(=O)O[*:1])NC(=O)N1CCC[C@@H](C1)NS(C)(=O)=O
COc1ccc(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] COc1ccc(cc1[*:1])NC(=O)N1CCC[C@@H](C1)NS(C)(=O)=O
CCOc1ccc2c(c1)CN(C(=O)Nc1c[nH]nc1-c1ccccn1)CC2 c1ccc(nc1)[*:1] CCOc1ccc2CCN(Cc2c1)C(=O)Nc1c[nH]nc1[*:1]
CCOc1ccc2c(c1)CN(C(=O)Nc1c[nH]nc1-c1ccccn1)CC2 CCO[*:1] O=C(Nc1c[nH]nc1-c1ccccn1)N1CCc2ccc(cc2C1)[*:1]
CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(OC)cc1 CCOC(=O)[*:1] COc1ccc(cc1)[C@@H]1C(=C(N)Oc2c1c(=O)[nH]c1ccccc21)[*:1]
CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1[*:1]
COc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1csc(CC(=O)N[*:1])n1
C=CCN1C(=O)[C@@H](C)NC1=S C=CC[*:1] C[C@H]1NC(=S)N(C1=O)[*:1]
N#Cc1cccnc1N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 N#Cc1cccnc1[*:1] O=C(C1CCC1)N1CCc2[nH]cnc2C12CCN(CC2)[*:1]
N#Cc1cccnc1N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 C1CC(C1)[*:1] N#Cc1cccnc1N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCC3CCN(c4ncccn4)CC3)cc21 CC(C)[*:1] O=C(NCC1CCN(CC1)c1ncccn1)C(=O)Nc1ccc2CCCN(C(=O)[*:1])c2c1
CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCC3CCN(c4ncccn4)CC3)cc21 c1cnc(nc1)[*:1] CC(C)C(=O)N1CCCc2ccc(cc21)NC(=O)C(=O)NCC1CCN(CC1)[*:1]
O=C(c1cn(C[C@@H]2CCCO2)nn1)N1CCN(C2CCCCC2)C(=O)C1 C1CO[C@@H](C1)C[*:1] O=C(c1cn(nn1)[*:1])N1CCN(C(=O)C1)C1CCCCC1
O=C(c1cn(C[C@@H]2CCCO2)nn1)N1CCN(C2CCCCC2)C(=O)C1 C1CCC(CC1)[*:1] O=C(c1cn(C[C@@H]2CCCO2)nn1)N1CCN(C(=O)C1)[*:1]
C[NH2+]CC(=O)NN=C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[NH2+]CC(=O)NN=C(c1ccccc1)[*:1]
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CCc2cnn(C)c2)c1 Cc1cccc(c1)[*:1] Cn1cc(cn1)CCC(=O)Nc1cc(nn1[*:1])C(C)(C)C
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CCc2cnn(C)c2)c1 CC(C)(C)[*:1] Cc1cccc(c1)-n1nc(cc1NC(=O)CCc1cnn(C)c1)[*:1]
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CCc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] Cc1cccc(c1)-n1nc(cc1NC(=O)CC[*:1])C(C)(C)C
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CCc2cnn(C)c2)c1 Cn1cc(cn1)CC[*:1] Cc1cccc(c1)-n1nc(cc1NC(=O)[*:1])C(C)(C)C
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CCc2cnn(C)c2)c1 Cn1cc(cn1)C[*:1] Cc1cccc(c1)-n1nc(cc1NC(=O)C[*:1])C(C)(C)C
CCNc1nc2ccccc2nc1Cc1ccccc1 c1ccc(cc1)[*:1] CCNc1nc2ccccc2nc1C[*:1]
CCNc1nc2ccccc2nc1Cc1ccccc1 CCN[*:1] c1ccc(cc1)Cc1nc2ccccc2nc1[*:1]
Cc1ccc2c(c1)CCN2C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] Cc1ccc2c(c1)CCN2C(=O)N[C@@H](C)c1cccc(c1)[*:1]
COc1cccc([C@@H](CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)N[C@H]1CC(=O)N(C1)C1CC1)[*:1]
COc1cccc([C@@H](CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)[NH+](C)C)c1 C1CC1[*:1] COc1cccc(c1)[C@@H](CNC(=O)N[C@H]1CC(=O)N(C1)[*:1])[NH+](C)C
Cc1ccc(S(=O)(=O)CCC(=O)N(C)Cc2cccc(C#N)c2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1cccc(C#N)c1)C(=O)CCS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)CCC(=O)N(C)Cc2cccc(C#N)c2)cc1 N#Cc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)CCC(=O)N(C)C[*:1]
C[C@@H](C(=O)Nc1nccs1)[NH+]1CCCCCC1 c1csc(n1)[*:1] C[C@@H](C(=O)N[*:1])[NH+]1CCCCCC1
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@]2(C1)C(=O)Nc1ccccc12 O=C([O-])[*:1] CC(C)(C)OC(=O)N1C[C@@H]([C@@]2(C1)C(=O)Nc1ccccc12)[*:1]
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@]2(C1)C(=O)Nc1ccccc12 CC(C)(C)[*:1] O=C([O-])[C@@H]1CN(C[C@@]12C(=O)Nc1ccccc12)C(=O)O[*:1]
CCOC1CC[NH+](Cc2sccc2C)CC1 CCO[*:1] Cc1ccsc1C[NH+]1CCC(CC1)[*:1]
CC1=C[C@@H]([C@@H]2NN[C@H](SCC(=O)Nc3cccc(F)c3)N2N)N=N1 Fc1cccc(c1)[*:1] CC1=C[C@H](N=N1)[C@@H]1NN[C@H](SCC(=O)N[*:1])N1N
C[NH+](CC(=O)NC(C)(C)C)Cn1ncn(C2CC2)c1=S CC(C)(C)[*:1] C[NH+](CC(=O)N[*:1])Cn1ncn(c1=S)C1CC1
C[NH+](CC(=O)NC(C)(C)C)Cn1ncn(C2CC2)c1=S C1CC1[*:1] C[NH+](CC(=O)NC(C)(C)C)Cn1ncn(c1=S)[*:1]
CC(C)CC[C@@]1(CC[NH+]2CCOCC2)CCO[C@H](C(C)C)C1 CC(C)[*:1] CC(C)CC[C@]1(CCO[C@H](C1)[*:1])CC[NH+]1CCOCC1
CC(C)CC[C@@]1(CC[NH+]2CCOCC2)CCO[C@H](C(C)C)C1 CC(C)[*:1] CC(C)[C@@H]1C[C@@](CCO1)(CC[NH+]1CCOCC1)CC[*:1]
CC(C)CC[C@@]1(CC[NH+]2CCOCC2)CCO[C@H](C(C)C)C1 CC(C)CC[*:1] CC(C)[C@@H]1C[C@](CCO1)(CC[NH+]1CCOCC1)[*:1]
CC(C)CC[C@@]1(CC[NH+]2CCOCC2)CCO[C@H](C(C)C)C1 CC(C)C[*:1] CC(C)[C@@H]1C[C@@](CCO1)(CC[NH+]1CCOCC1)C[*:1]
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)c1ccco1 Cc1ccsc1[*:1] O=C(N[C@@H](CO)c1ccco1)[C@@H]1C[C@H]1[*:1]
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)NCc1cc(-c2ccccc2)no1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NCc1cc(no1)-c1ccccc1
Cc1ccccc1C(=O)N[C@H](C(=O)NCc1cc(-c2ccccc2)no1)C(C)C c1ccc(cc1)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)NCc1cc(no1)[*:1])C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)NCc1cc(-c2ccccc2)no1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)NCc1cc(no1)-c1ccccc1)[*:1]
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)c(F)c1 O=C([O-])[*:1] O=C(Nc1ccc(F)c(F)c1)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1[*:1]
COC(=O)C[C@@H](C)N1CCN(Cc2ccc(F)c(Cl)c2)CC1 COC(=O)[*:1] C[C@H](C[*:1])N1CCN(CC1)Cc1ccc(F)c(Cl)c1
COC(=O)C[C@@H](C)N1CCN(Cc2ccc(F)c(Cl)c2)CC1 COC(=O)C[*:1] C[C@@H](N1CCN(CC1)Cc1ccc(F)c(Cl)c1)[*:1]
COC(=O)C[C@@H](C)N1CCN(Cc2ccc(F)c(Cl)c2)CC1 COC(=O)C[C@@H](C)[*:1] Fc1ccc(cc1Cl)CN1CCN(CC1)[*:1]
O=C(NCc1cscn1)N[C@@H](CO)c1ccc(Cl)c(F)c1 c1nc(cs1)[*:1] O=C(NC[*:1])N[C@@H](CO)c1ccc(Cl)c(F)c1
O=C(NCc1cscn1)N[C@@H](CO)c1ccc(Cl)c(F)c1 c1nc(cs1)C[*:1] O=C(N[C@@H](CO)c1ccc(Cl)c(F)c1)N[*:1]
O=C(Cc1cccc(Cl)c1)NC1CCN(c2ccccc2)CC1 Clc1cccc(c1)[*:1] O=C(C[*:1])NC1CCN(CC1)c1ccccc1
O=C(Cc1cccc(Cl)c1)NC1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cc1cccc(Cl)c1)NC1CCN(CC1)[*:1]
C[C@@H](c1ccccc1)[C@@H](C)NS(=O)(=O)Cc1cccc2cccnc12 c1ccc(cc1)[*:1] C[C@@H]([C@@H](C)NS(=O)(=O)Cc1cccc2cccnc12)[*:1]
C[C@@H](c1ccccc1)[C@@H](C)NS(=O)(=O)Cc1cccc2cccnc12 C[C@@H](c1ccccc1)[*:1] C[C@@H](NS(=O)(=O)Cc1cccc2cccnc12)[*:1]
CC(C)[C@@H](CO)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 CC(C)[*:1] CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H](CO)[*:1])C1
CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCCc3ccco3)cc21 c1coc(c1)CCC[*:1] CC(=O)N1CCCSc2ccc(cc21)S(=O)(=O)N[*:1]
CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCCc3ccco3)cc21 c1coc(c1)[*:1] CC(=O)N1CCCSc2ccc(cc21)S(=O)(=O)NCCC[*:1]
CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCCc3ccco3)cc21 c1coc(c1)C[*:1] CC(=O)N1CCCSc2ccc(cc21)S(=O)(=O)NCC[*:1]
CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCCc3ccco3)cc21 c1coc(c1)CC[*:1] CC(=O)N1CCCSc2ccc(cc21)S(=O)(=O)NC[*:1]
COc1ccc([C@@H](C)NC(=O)Cc2ccc[nH]2)c(OC)c1 c1c[nH]c(c1)[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC(=O)C[*:1]
COc1ccc([C@@H](C)NC(=O)Cc2ccc[nH]2)c(OC)c1 c1c[nH]c(c1)C[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC(=O)[*:1]
Cc1ccc(C[C@H]([NH2+]C[C@@H](C)c2c(C)noc2C)C(C)C)cc1 Cc1ccc(cc1)[*:1] Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C[*:1])C(C)C
Cc1ccc(C[C@H]([NH2+]C[C@@H](C)c2c(C)noc2C)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C[C@H]([NH2+]C[C@@H](C)c1c(C)noc1C)[*:1]
Cc1ccc(C[C@H]([NH2+]C[C@@H](C)c2c(C)noc2C)C(C)C)cc1 Cc1noc(C)c1[*:1] Cc1ccc(cc1)C[C@H]([NH2+]C[C@@H](C)[*:1])C(C)C
COc1c(F)cc(F)c(C(=O)[O-])c1F O=C([O-])[*:1] COc1c(F)cc(F)c(c1F)[*:1]
O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H](C(=O)n1nnc3ccccc31)N1c3ccccc3C=C[C@H]21 Clc1cccc(c1)[*:1] O=C1[C@H]2[C@@H](C(=O)N1[*:1])[C@H](C(=O)n1nnc3ccccc31)N1c3ccccc3C=C[C@H]21
O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H](C(=O)n1nnc3ccccc31)N1c3ccccc3C=C[C@H]21 O=C(n1nnc2ccccc21)[*:1] O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H](N1c3ccccc3C=C[C@H]21)[*:1]
Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C)c3ccc4c(c3)OCO4)CCC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)C1(CCC1)S(=O)(=O)[*:1])c1ccc2OCOc2c1
Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C)c3ccc4c(c3)OCO4)CCC2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)S(=O)(=O)C1(CCC1)C(=O)N[C@@H](C)[*:1]
Cc1nc2ccccc2n1/N=C/c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] Cc1nc2ccccc2n1/N=C/c1ccc(s1)[*:1]
O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC(n2cccn2)CC1 c1cnn(c1)[*:1] O=C(N[C@@H]1CCN(C1)c1cccc[nH+]1)N1CCC(CC1)[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NS(C)(=O)=O CC[S@](=O)[*:1] CS(=O)(=O)N[C@H]1CCCC[C@@H]1[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NS(C)(=O)=O CS(=O)(=O)N[*:1] CC[S@](=O)[C@H]1CCCC[C@H]1[*:1]
C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@@H](O)CN(S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
O=c1nc(-c2ccc(N3CCOCC3)[nH+]c2)[nH]c2sc3c(c12)CCCCC3 C1CN(CCO1)[*:1] O=c1nc([nH]c2sc3CCCCCc3c12)-c1ccc([nH+]c1)[*:1]
COC(=O)C[C@H](C)SC[C@H]1COc2ccccc21 COC(=O)[*:1] C[C@@H](C[*:1])SC[C@H]1COc2ccccc21
COC(=O)C[C@H](C)SC[C@H]1COc2ccccc21 COC(=O)C[*:1] C[C@H](SC[C@H]1COc2ccccc21)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(cc1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-n2cccn2)cc1 Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)c1ccc(cc1)-n1cccn1
C/[NH+]=C(/NCc1cccc(F)c1)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 Fc1cccc(c1)C[*:1] C/[NH+]=C(\NCC(C)(C)N1C[C@H](C)O[C@H](C)C1)N[*:1]
C/[NH+]=C(/NCc1cccc(F)c1)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 Fc1cccc(c1)[*:1] C/[NH+]=C(\NCC(C)(C)N1C[C@H](C)O[C@H](C)C1)NC[*:1]
CCn1nc(C)c(NC(=O)NNc2ccccc2Cl)c1C Clc1ccccc1[*:1] CCn1nc(C)c(NC(=O)NN[*:1])c1C
CCn1c(C[NH+]2CCC(OC3CCCCC3)CC2)nc2ccccc21 C1CCC(CC1)O[*:1] CCn1c(C[NH+]2CCC(CC2)[*:1])nc2ccccc21
CCn1c(C[NH+]2CCC(OC3CCCCC3)CC2)nc2ccccc21 C1CCC(CC1)[*:1] CCn1c(C[NH+]2CCC(CC2)O[*:1])nc2ccccc21
CCc1cc2c(S[C@@H](C)C(=O)NC(=O)NC)ncnc2s1 CNC(=O)NC(=O)[*:1] CCc1cc2c(ncnc2s1)S[C@@H](C)[*:1]
CN(Cc1ncnn1C)C(=O)c1cc([N+](=O)[O-])ccc1Cl Cn1ncnc1[*:1] CN(C[*:1])C(=O)c1cc(ccc1Cl)[N+](=O)[O-]
CN(Cc1ncnn1C)C(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CN(Cc1ncnn1C)C(=O)c1cc(ccc1Cl)[*:1]
CN(Cc1ncnn1C)C(=O)c1cc([N+](=O)[O-])ccc1Cl Cn1ncnc1C[*:1] CN(C(=O)c1cc(ccc1Cl)[N+](=O)[O-])[*:1]
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1[*:1]
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 Clc1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ccccc1C(=O)N1CCCCC1
Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C)c(OCC(=O)N(C)C)c1 CN(C)C(=O)CO[*:1] Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C)c(c1)[*:1]
Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C)c(OCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C)c(c1)O[*:1]
Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C)c(OCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C)c(c1)OC[*:1]
CCOCCO[C@@H](C)C(=O)N1CCCCc2cc(Br)ccc21 CCOCC[*:1] C[C@H](O[*:1])C(=O)N1CCCCc2cc(Br)ccc21
CCOCCO[C@@H](C)C(=O)N1CCCCc2cc(Br)ccc21 CCOC[*:1] C[C@H](OC[*:1])C(=O)N1CCCCc2cc(Br)ccc21
CCOCCO[C@@H](C)C(=O)N1CCCCc2cc(Br)ccc21 CCOCCO[*:1] C[C@@H](C(=O)N1CCCCc2cc(Br)ccc21)[*:1]
CCOCCO[C@@H](C)C(=O)N1CCCCc2cc(Br)ccc21 CCO[*:1] C[C@H](OCC[*:1])C(=O)N1CCCCc2cc(Br)ccc21
CS(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 CS(=O)(=O)[*:1] O=C(Nc1nccs1)c1ccc(cc1)[*:1]
CC(C)(O)CC[C@H]1C[C@@H](C(C)(C)C)CCC1=O CC(C)(C)[*:1] CC(C)(O)CC[C@H]1C[C@@H](CCC1=O)[*:1]
CC(C)(O)CC[C@H]1C[C@@H](C(C)(C)C)CCC1=O CC(C)(O)[*:1] CC(C)(C)[C@H]1CCC(=O)[C@@H](CC[*:1])C1
CC(C)(O)CC[C@H]1C[C@@H](C(C)(C)C)CCC1=O CC(C)(O)C[*:1] CC(C)(C)[C@H]1CCC(=O)[C@H](C1)C[*:1]
C[NH+](C)Cc1noc(C[C@@](C)(C(=O)[O-])c2ccccc2)n1 c1ccc(cc1)[*:1] C[NH+](C)Cc1noc(C[C@@](C)(C(=O)[O-])[*:1])n1
C[NH+](C)Cc1noc(C[C@@](C)(C(=O)[O-])c2ccccc2)n1 O=C([O-])[*:1] C[NH+](C)Cc1noc(C[C@@](C)(c2ccccc2)[*:1])n1
CCOc1ccccc1CN(C)C(=O)Nc1cc(NC(=O)CC)ccc1C CCC(=O)N[*:1] CCOc1ccccc1CN(C)C(=O)Nc1cc(ccc1C)[*:1]
CCOc1ccccc1CN(C)C(=O)Nc1cc(NC(=O)CC)ccc1C CCO[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)N(C)Cc1ccccc1[*:1]
CCOc1ccccc1CN(C)C(=O)Nc1cc(NC(=O)CC)ccc1C CCOc1ccccc1[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)N(C)C[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)n1cncn1 c1ncn(n1)[*:1] CC(C)c1cccc(c1NC(=O)[C@H](C)[*:1])C(C)C
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)n1cncn1 CC(C)[*:1] CC(C)c1cccc(c1NC(=O)[C@H](C)n1cncn1)[*:1]
CC/[NH+]=C(/NCC1(SC)CCOCC1)N[C@@H]1CCOc2ccccc21 CSC1(CCOCC1)[*:1] CC/[NH+]=C(/NC[*:1])N[C@@H]1CCOc2ccccc21
COc1ccc([C@@H]2CCC(=O)N2CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H]1CCC(=O)N1CC[*:1]
COc1ccc([C@@H]2CCC(=O)N2CCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)[C@@H]1CCC(=O)N1C[*:1]
O=C(Nc1cc(-c2ccccc2)ns1)N[C@@H]1CCCOC1 C1COC[C@@H](C1)[*:1] O=C(Nc1cc(ns1)-c1ccccc1)N[*:1]
O=C(Nc1cc(-c2ccccc2)ns1)N[C@@H]1CCCOC1 c1ccc(cc1)[*:1] O=C(Nc1cc(ns1)[*:1])N[C@@H]1CCCOC1
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+](C)CC1CCOCC1 Fc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C[NH+](C)CC1CCOCC1
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+](C)CC1CCOCC1 C1CC(CCO1)C[*:1] Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+](C)[*:1]
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+](C)CC1CCOCC1 C1CC(CCO1)[*:1] Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+](C)C[*:1]
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+](C)CC1CCOCC1 Fc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C[NH+](C)CC1CCOCC1)[*:1]
Cc1[nH]c(=O)n(C)c(=O)c1CCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] Cc1[nH]c(=O)n(C)c(=O)c1CCc1nnc(o1)SCC(=O)N[*:1]
C[C@@H](NC/C(Cl)=C/Cl)c1ccccc1 Cl/C=C(\Cl)[*:1] C[C@@H](NC[*:1])c1ccccc1
CC(C)c1cc(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1nc(cc(n1)[*:1])NC[C@H]1CCC[C@@]12NC(=O)NC2=O
CC(C)c1cc(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1cc(nc(n1)[*:1])NC[C@H]1CCC[C@@]12NC(=O)NC2=O
CC[C@@H](NC(=O)N[C@@H]1CCCc2ccc(F)cc21)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)N[C@@H]1CCCc2ccc(F)cc21)[*:1]
COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(C)[C@H]1[*:1]
COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 c1ccc(cc1)C[*:1] COC[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)[*:1]
COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 COC[*:1] CN1C(=O)C[C@H]([NH2+][C@@H](Cc2ccccc2)[*:1])[C@H]1c1ccc(F)cc1
COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 c1ccc(cc1)[*:1] COC[C@H](C[*:1])[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1
CCc1noc(CCCC(=O)Nc2ccc(N3CCOCC3)nc2)n1 CCc1noc(C[*:1])n1 O=C(CC[*:1])Nc1ccc(nc1)N1CCOCC1
CCc1noc(CCCC(=O)Nc2ccc(N3CCOCC3)nc2)n1 CCc1noc(n1)[*:1] O=C(CCC[*:1])Nc1ccc(nc1)N1CCOCC1
CCc1noc(CCCC(=O)Nc2ccc(N3CCOCC3)nc2)n1 C1CN(CCO1)[*:1] CCc1noc(CCCC(=O)Nc2ccc(nc2)[*:1])n1
CC1(C)CN(Cc2c([O-])[nH+]nn2-c2ccccc2)CCS1 c1ccc(cc1)[*:1] CC1(C)CN(CCS1)Cc1c([O-])[nH+]nn1[*:1]
C[C@@H]1CCCC2=[NH+][C@H](c3ccc(C(C)(C)C)cc3)C(=[NH2+])N21 CC(C)(C)[*:1] C[C@@H]1CCCC2=[NH+][C@@H](C(=[NH2+])N21)c1ccc(cc1)[*:1]
Cc1nn(C)cc1CCC(=O)N1CC[C@H](C(N)=O)c2ccccc21 Cc1nn(C)cc1C[*:1] NC(=O)[C@H]1CCN(C(=O)C[*:1])c2ccccc21
Cc1nn(C)cc1CCC(=O)N1CC[C@H](C(N)=O)c2ccccc21 NC(=O)[*:1] Cc1nn(C)cc1CCC(=O)N1CC[C@H](c2ccccc21)[*:1]
Cc1nn(C)cc1CCC(=O)N1CC[C@H](C(N)=O)c2ccccc21 Cc1nn(C)cc1[*:1] NC(=O)[C@H]1CCN(C(=O)CC[*:1])c2ccccc21
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc(F)c2)sc2c1CCC2 Fc1cccc(C=C[*:1])c1 NC(=O)c1c(NC(=O)COC(=O)[*:1])sc2CCCc21
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc(F)c2)sc2c1CCC2 Fc1cccc(c1)[*:1] NC(=O)c1c(NC(=O)COC(=O)C=C[*:1])sc2CCCc21
NC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc(F)c2)sc2c1CCC2 NC(=O)[*:1] O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1sc2CCCc2c1[*:1]
C[C@@](O)(Cc1cccc(O)c1)C1CC1 C1CC1[*:1] C[C@@](O)(Cc1cccc(O)c1)[*:1]
CCC(=O)Nc1cc(NC(=O)[C@H](C)Oc2ccccc2)ccc1C CCC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H](C)Oc1ccccc1
CCC(=O)Nc1cc(NC(=O)[C@H](C)Oc2ccccc2)ccc1C c1ccc(cc1)[*:1] CCC(=O)Nc1cc(ccc1C)NC(=O)[C@H](C)O[*:1]
CCC(=O)Nc1cc(NC(=O)[C@H](C)Oc2ccccc2)ccc1C c1ccc(cc1)O[*:1] CCC(=O)Nc1cc(ccc1C)NC(=O)[C@H](C)[*:1]
COc1ccc(C)c(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c1 Cc1n[nH]c(C)c1[*:1] COc1ccc(C)c(c1)NC(=O)N1CCC[C@@H]1[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])N1CCC[C@@H]1[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C1CCCC1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@H]1C1CCCC1
FC(F)(F)COCC[C@@H](CCl)c1ccc(Br)cc1 FC(F)(F)[*:1] ClC[C@H](CCOC[*:1])c1ccc(Br)cc1
FC(F)(F)COCC[C@@H](CCl)c1ccc(Br)cc1 FC(F)(F)C[*:1] ClC[C@H](CCO[*:1])c1ccc(Br)cc1
FC(F)(F)COCC[C@@H](CCl)c1ccc(Br)cc1 FC(F)(F)CO[*:1] ClC[C@H](CC[*:1])c1ccc(Br)cc1
O=C(Nc1ccc(F)cc1F)C1CCN(C(=O)c2cccc3ccccc23)CC1 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccc2ccccc12
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(F)cc3)[nH]c2=O)cc1 Fc1ccc(cc1)C[*:1] CCOc1ccc(cc1)C(=O)Nc1c(N)nc([nH]c1=O)S[*:1]
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(F)cc3)[nH]c2=O)cc1 CCOc1ccc(cc1)[*:1] Nc1nc([nH]c(=O)c1NC(=O)[*:1])SCc1ccc(F)cc1
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(F)cc3)[nH]c2=O)cc1 Fc1ccc(cc1)CS[*:1] CCOc1ccc(cc1)C(=O)Nc1c(N)nc([nH]c1=O)[*:1]
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(F)cc3)[nH]c2=O)cc1 CCO[*:1] Nc1nc([nH]c(=O)c1NC(=O)c1ccc(cc1)[*:1])SCc1ccc(F)cc1
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(F)cc3)[nH]c2=O)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)Nc1c(N)nc([nH]c1=O)SC[*:1]
CCc1nn(C)cc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 CCc1nn(C)cc1[*:1] O=C(Nc1ccccc1OCCn1cc[nH+]c1)[*:1]
CC(=O)Nc1cccc(NCc2c(C)nn(-c3ccc(F)cc3)c2C)c1C CC(=O)N[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1cccc(c1C)[*:1]
CC(=O)Nc1cccc(NCc2c(C)nn(-c3ccc(F)cc3)c2C)c1C Fc1ccc(cc1)[*:1] CC(=O)Nc1cccc(NCc2c(C)nn(c2C)[*:1])c1C
CCOC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(SC)cc2)cc1 CCOC(=O)c1ccc(cc1)[*:1] CSc1ccc(cc1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
CCOC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(SC)cc2)cc1 CSc1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1[*:1]
CCOC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(SC)cc2)cc1 CCOC(=O)[*:1] CSc1ccc(cc1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1c1ccc(cc1)[*:1]
CCCOc1cccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)c1 CCC[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cccc(c1)O[*:1]
CCCOc1cccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)c1 CCCO[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cccc(c1)[*:1]
Cc1noc(C)c1CCCNC(=O)Cc1c(F)cccc1Cl Cc1noc(C)c1[*:1] O=C(Cc1c(F)cccc1Cl)NCCC[*:1]
O=C(c1c(F)cccc1Cl)N1CCN(C/C=C/c2ccco2)CC1 c1coc(c1)[*:1] O=C(c1c(F)cccc1Cl)N1CCN(CC=C[*:1])CC1
O=C(c1c(F)cccc1Cl)N1CCN(C/C=C/c2ccco2)CC1 C(=C/c1ccco1)\C[*:1] O=C(c1c(F)cccc1Cl)N1CCN(CC1)[*:1]
O=C(c1c(F)cccc1Cl)N1CCN(C/C=C/c2ccco2)CC1 C(=C[*:1])c1ccco1 O=C(c1c(F)cccc1Cl)N1CCN(CC1)C[*:1]
O=C(c1c(F)cccc1Cl)N1CCN(C/C=C/c2ccco2)CC1 Fc1cccc(Cl)c1[*:1] O=C(N1CCN(C/C=C/c2ccco2)CC1)[*:1]
Cc1ccc([C@H](CN[C@@H](C)c2nccs2)[NH+](C)C)cc1 c1csc(n1)[*:1] Cc1ccc(cc1)[C@H](CN[C@@H](C)[*:1])[NH+](C)C
CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)Nc2cccc(C#N)c2)O1 CN(C)C(=O)[*:1] N#Cc1cccc(c1)NC(=O)NC[C@H]1CC[C@@H](O1)[*:1]
CCOC(=O)C(C)(C)c1nc(-c2cccc(C)n2)no1 CCOC(=O)[*:1] Cc1cccc(n1)-c1noc(n1)C(C)(C)[*:1]
CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccccc1Cl CCCS[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@@H]2c1ccccc1Cl)[*:1]
CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccccc1Cl CCC[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@@H]2c1ccccc1Cl)S[*:1]
CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccccc1Cl Clc1ccccc1[*:1] CCCSc1nc(=O)c2c(NC(=O)C[C@H]2[*:1])n1C
O=C(OCc1nnnn1-c1ccccc1)[C@H]1Cc2ccccc2S1 c1ccc(cc1)[*:1] O=C(OCc1nnnn1[*:1])[C@H]1Cc2ccccc2S1
COCCCNC(=O)CCn1ncc2c(Cl)cccc21 COC[*:1] O=C(CCn1ncc2c(Cl)cccc21)NCC[*:1]
COCCCNC(=O)CCn1ncc2c(Cl)cccc21 COCC[*:1] O=C(CCn1ncc2c(Cl)cccc21)NC[*:1]
COCCCNC(=O)CCn1ncc2c(Cl)cccc21 COCCC[*:1] O=C(CCn1ncc2c(Cl)cccc21)N[*:1]
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1cccc(C(F)(F)F)c1)C(=O)C2 FC(F)(F)[*:1] CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1cccc(c1)[*:1])C(=O)C2
CCC[NH2+][C@]1(C(N)=O)CCc2ccc(OC)cc21 CCC[*:1] COc1ccc2CC[C@]([NH2+][*:1])(C(N)=O)c2c1
CCC[NH2+][C@]1(C(N)=O)CCc2ccc(OC)cc21 NC(=O)[*:1] CCC[NH2+][C@@]1(CCc2ccc(cc21)OC)[*:1]
Cc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])[N-]S(=O)(=O)c1cnn(c1)C(C)C
Cc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)ccc1[N+](=O)[O-] CC(C)[*:1] Cc1cc(ccc1[N+](=O)[O-])[N-]S(=O)(=O)c1cnn(c1)[*:1]
COC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 COC[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)-c1nc(n[nH]1)C1CC1)[*:1]
COC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 C1CC1c1n[nH]c(n1)[*:1] COC[C@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
COC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 C1CC1[*:1] COC[C@H](C)NC(=O)C(=O)Nc1cccc(c1)-c1nc(n[nH]1)[*:1]
COC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 COC[C@H](C)[*:1] O=C(Nc1cccc(c1)-c1nc(n[nH]1)C1CC1)C(=O)N[*:1]
C[C@H](NC(=O)Nc1ccc2c(c1)COC2)[C@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1ccc2COCc2c1)[C@H](O)[*:1]
CCCc1[nH+]c([C@H]2C[NH+]3CCN2CC3)nc(NCC)c1Br CCC[*:1] CCNc1nc([nH+]c(c1Br)[*:1])[C@H]1C[NH+]2CCN1CC2
CCCc1[nH+]c([C@H]2C[NH+]3CCN2CC3)nc(NCC)c1Br CCN[*:1] CCCc1[nH+]c(nc(c1Br)[*:1])[C@H]1C[NH+]2CCN1CC2
O=[N+]([O-])c1c(Nc2cccc3ncccc23)ncnc1N1CCc2ccccc2C1 O=[N+]([O-])[*:1] c1ccc2CN(CCc2c1)c1ncnc(Nc2cccc3ncccc23)c1[*:1]
O=[N+]([O-])c1c(Nc2cccc3ncccc23)ncnc1N1CCc2ccccc2C1 c1cc(c2cccnc2c1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc2C1)N[*:1]
O=[N+]([O-])c1c(Nc2cccc3ncccc23)ncnc1N1CCc2ccccc2C1 c1ccc2CN(CCc2c1)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cccc2ncccc12
COC(=O)c1cc(OC)c(OC)nc1OC COC(=O)[*:1] COc1cc(c(nc1OC)OC)[*:1]
C[C@](O)(CNC(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)c1c(Cl)cccc1Cl)[*:1]
Cc1cc(C)c(O)c(NC(=O)[C@@H]([NH3+])Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(O)c(c1)NC(=O)[C@@H]([NH3+])[*:1]
Cc1cc(C)c(O)c(NC(=O)[C@@H]([NH3+])Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(O)c(c1)NC(=O)[C@@H]([NH3+])C[*:1]
Cc1ccc(NNC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)nc1 c1cnc(nc1)[*:1] Cc1ccc(nc1)NNC(=O)NC[C@@H]1CCCN(C1)[*:1]
Cc1ccc(NNC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)nc1 Cc1ccc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)NN[*:1]
CO[C@@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2cc(F)cc(F)c2)C1 O=C([O-])[*:1] CO[C@@H]1C[C@H](N(C1)S(=O)(=O)c1cc(F)cc(F)c1)[*:1]
O=C(Nc1ccc(CN2CCCC2=O)cc1)[C@H]1CCCc2ccccc21 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@H]1CCCc2ccccc21
O=C(Nc1ccc(CN2CCCC2=O)cc1)[C@H]1CCCc2ccccc21 O=C1CCCN1C[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCc2ccccc21
O=C(CCCc1cc(F)ccc1F)N[C@H]1CCCN(c2cccnn2)C1 Fc1ccc(F)c(c1)[*:1] O=C(CCC[*:1])N[C@H]1CCCN(C1)c1cccnn1
O=C(CCCc1cc(F)ccc1F)N[C@H]1CCCN(c2cccnn2)C1 c1cnnc(c1)[*:1] O=C(CCCc1cc(F)ccc1F)N[C@H]1CCCN(C1)[*:1]
COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCC3=CCCCC3)C2=O)cc1 COc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O)[*:1]
COc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(cc1)N(C(=O)[*:1])S(=O)(=O)c1ccc(Cl)cc1
COc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)N(C(=O)c1ccccc1[*:1])S(=O)(=O)c1ccc(Cl)cc1
COc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)N(C(=O)c1ccccc1[N+](=O)[O-])S(=O)(=O)[*:1]
COc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccc1[N+](=O)[O-])N(S(=O)(=O)c1ccc(Cl)cc1)[*:1]
O=C(N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1)C1CCCC1 c1ccc(nc1)[*:1] O=C(N[C@H](Cc1cc(=O)[nH]c(n1)[*:1])c1ccccc1)C1CCCC1
O=C(N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] O=C(N[C@H](Cc1cc(=O)[nH]c(n1)-c1ccccn1)[*:1])C1CCCC1
O=C(N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1)C1CCCC1 C1CCC(C1)[*:1] O=C(N[C@H](Cc1cc(=O)[nH]c(n1)-c1ccccn1)c1ccccc1)[*:1]
O=C(N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1)C1CCCC1 O=C(N[*:1])C1CCCC1 O=c1cc(C[C@H](c2ccccc2)[*:1])nc([nH]1)-c1ccccn1
O=C(NNC(=O)c1ccccn1)c1ccc(C(F)(F)F)cc1 c1ccc(nc1)[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)C(F)(F)F
O=C(NNC(=O)c1ccccn1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NNC(=O)c1ccccn1)c1ccc(cc1)[*:1]
COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2ccncc2)O3)c1 O=C(N[*:1])c1ccncc1 COc1ccc(OC)c(c1)-c1cc(Cl)c2O[C@@H](Cc2c1)C[*:1]
COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2ccncc2)O3)c1 c1cc(ccn1)[*:1] COc1ccc(OC)c(c1)-c1cc(Cl)c2O[C@H](CNC(=O)[*:1])Cc2c1
COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2ccncc2)O3)c1 COc1ccc(OC)c(c1)[*:1] O=C(NC[C@@H]1Cc2cc(cc(Cl)c2O1)[*:1])c1ccncc1
COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2ccncc2)O3)c1 O=C(NC[*:1])c1ccncc1 COc1ccc(OC)c(c1)-c1cc(Cl)c2O[C@H](Cc2c1)[*:1]
CC(C)[C@@H](O)/C=C\c1cc2c(cc1Cl)OCO2 CC(C)[C@@H](O)[*:1] Clc1cc2OCOc2cc1C=C[*:1]
CC(C)[C@@H](O)/C=C\c1cc2c(cc1Cl)OCO2 CC(C)[*:1] O[C@@H](/C=C\c1cc2OCOc2cc1Cl)[*:1]
O=C(Cc1cccc(NC(=O)c2cc3ccncc3cn2)c1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(Cc1cccc(c1)NC(=O)c1cc2ccncc2cn1)N[*:1]
O=C(Cc1cccc(NC(=O)c2cc3ccncc3cn2)c1)Nc1cccnc1 O=C(Nc1cccnc1)[*:1] O=C(Nc1cccc(c1)C[*:1])c1cc2ccncc2cn1
O=C(Cn1nnc2ccccc2c1=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)CC[*:1] O=C(Cn1nnc2ccccc2c1=O)N(CC1CC1)[*:1]
O=C(Cn1nnc2ccccc2c1=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)C[*:1] O=C(Cn1nnc2ccccc2c1=O)N(CC1CC1)C[*:1]
O=C(Cn1nnc2ccccc2c1=O)N(CCC(F)(F)F)CC1CC1 C1CC1[*:1] O=C(Cn1nnc2ccccc2c1=O)N(CCC(F)(F)F)C[*:1]
O=C(Cn1nnc2ccccc2c1=O)N(CCC(F)(F)F)CC1CC1 C1CC1C[*:1] O=C(Cn1nnc2ccccc2c1=O)N(CCC(F)(F)F)[*:1]
O=C(Cn1nnc2ccccc2c1=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)[*:1] O=C(Cn1nnc2ccccc2c1=O)N(CC[*:1])CC1CC1
CCc1cc(N2CCN(c3ccc(Cl)cn3)CC2)n2nccc2n1 Clc1ccc(nc1)[*:1] CCc1cc(N2CCN(CC2)[*:1])n2nccc2n1
C[C@H]1CN(c2ncccc2S(N)(=O)=O)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])c1ncccc1S(N)(=O)=O
C[C@H]1CN(c2ncccc2S(N)(=O)=O)C[C@H](c2ccccc2)O1 NS(=O)(=O)[*:1] C[C@H]1CN(C[C@@H](O1)c1ccccc1)c1ncccc1[*:1]
CCc1ccc(CCNC(=O)Nc2ccc(C(=O)N(C)OC)cc2)cc1 CON(C)C(=O)[*:1] CCc1ccc(cc1)CCNC(=O)Nc1ccc(cc1)[*:1]
CCc1ccc(CCNC(=O)Nc2ccc(C(=O)N(C)OC)cc2)cc1 CCc1ccc(cc1)[*:1] CON(C)C(=O)c1ccc(cc1)NC(=O)NCC[*:1]
CC1(C)S[C@@H]2[C@H]([NH2+]Cn3nnc4ccccc43)C(=O)N2[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)S[C@@H]2[C@H]([NH2+]Cn3nnc4ccccc43)C(=O)N2[C@H]1[*:1]
C[C@@H]1CCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)C1 c1ccc(cc1)[*:1] C[C@@H]1CCN(C(=O)CCC(=O)N2CCC(=N2)[*:1])[C@H](C)C1
CC[C@H](CSC)N(C)C(=O)NCC1(C(C)C)CC1 CSC[*:1] CC[C@H](N(C)C(=O)NCC1(CC1)C(C)C)[*:1]
CC[C@H](CSC)N(C)C(=O)NCC1(C(C)C)CC1 CC(C)C1(CC1)[*:1] CC[C@H](CSC)N(C)C(=O)NC[*:1]
CC[C@H](CSC)N(C)C(=O)NCC1(C(C)C)CC1 CC(C)[*:1] CC[C@H](CSC)N(C)C(=O)NCC1(CC1)[*:1]
CC[C@H](CSC)N(C)C(=O)NCC1(C(C)C)CC1 CC[C@H](CSC)[*:1] CC(C)C1(CC1)CNC(=O)N(C)[*:1]
COc1ccc(C2=NN=C[C@H]2/C=C(/C#N)C(=O)NC(C)(C)CC(C)(C)C)cc1 CC(C)(C)C[*:1] COc1ccc(cc1)C1=NN=C[C@H]1/C=C(/C#N)C(=O)NC(C)(C)[*:1]
COc1ccc(C2=NN=C[C@H]2/C=C(/C#N)C(=O)NC(C)(C)CC(C)(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)(C)CC(C)(C)NC(=O)/C(C#N)=C\[C@@H]1C=NN=C1[*:1]
COc1ccc(C2=NN=C[C@H]2/C=C(/C#N)C(=O)NC(C)(C)CC(C)(C)C)cc1 CC(C)(C)CC(C)(C)[*:1] COc1ccc(cc1)C1=NN=C[C@H]1/C=C(/C#N)C(=O)N[*:1]
COc1ccc(C2=NN=C[C@H]2/C=C(/C#N)C(=O)NC(C)(C)CC(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)C1=NN=C[C@H]1/C=C(/C#N)C(=O)NC(C)(C)C[*:1]
CCC(=O)Nc1ccc([C@@H](C)NC(=O)NCC(=O)NC(C)C)cc1 CC(C)[*:1] CCC(=O)Nc1ccc(cc1)[C@@H](C)NC(=O)NCC(=O)N[*:1]
CCC(=O)Nc1ccc([C@@H](C)NC(=O)NCC(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] CCC(=O)Nc1ccc(cc1)[C@@H](C)NC(=O)NC[*:1]
CCC(=O)Nc1ccc([C@@H](C)NC(=O)NCC(=O)NC(C)C)cc1 CC(C)NC(=O)C[*:1] CCC(=O)Nc1ccc(cc1)[C@@H](C)NC(=O)N[*:1]
CCC(=O)Nc1ccc([C@@H](C)NC(=O)NCC(=O)NC(C)C)cc1 CCC(=O)N[*:1] CC(C)NC(=O)CNC(=O)N[C@H](C)c1ccc(cc1)[*:1]
O=C(/C=C/C=C/c1ccccc1)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(/C=C/C=C[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(/C=C/C=C/c1ccccc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(/C=C/C=C/c1ccccc1)c1cccc(c1)[*:1]
O=C(CCCN1C(=O)CCC1=O)NCC1(c2ccccc2)CCC1 O=C1CCC(=O)N1C[*:1] O=C(CC[*:1])NCC1(CCC1)c1ccccc1
O=C(CCCN1C(=O)CCC1=O)NCC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(CCCN1C(=O)CCC1=O)NCC1(CCC1)[*:1]
O=C(CCCN1C(=O)CCC1=O)NCC1(c2ccccc2)CCC1 O=C1CCC(=O)N1[*:1] O=C(CCC[*:1])NCC1(CCC1)c1ccccc1
CCCS[C@@H]1CCC[C@H]1C#N CCC[*:1] N#C[C@@H]1CCC[C@H]1S[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)c2cnc(Oc3ccccc3)cn2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)c2cnc(cn2)O[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)c2cnc(Oc3ccccc3)cn2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNC(=O)c1cnc(cn1)Oc1ccccc1)C[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)c2cnc(Oc3ccccc3)cn2)n1 c1ccc(cc1)O[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)c2cnc(cn2)[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)c2cnc(Oc3ccccc3)cn2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](CNC(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
O=C(NCCC[S@@](=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F FC(F)(F)[*:1] O=C(NCCC[S@@](=O)c1ccc(Cl)c(Cl)c1)[*:1]
C[C@@H](Oc1ccc2[nH]ncc2c1)C(=O)[O-] C[C@@H](C(=O)[O-])[*:1] c1cc2[nH]ncc2cc1O[*:1]
C[C@@H](Oc1ccc2[nH]ncc2c1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Oc1ccc2[nH]ncc2c1)[*:1]
CC(C)(C)c1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])no1 O=C([O-])[*:1] CC(C)(C)c1cc(no1)NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
CC(C)(C)c1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])no1 CC(C)(C)[*:1] O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cc(on1)[*:1]
O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCCSc2ccccc21 c1ccc(cc1)[*:1] O=C(Cn1c(CO[*:1])nc2ccccc21)N1CCCSc2ccccc21
O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCCSc2ccccc21 c1ccc(cc1)OC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCCSc2ccccc21
O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCCSc2ccccc21 c1ccc(cc1)O[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)N1CCCSc2ccccc21
CC(C)(C)NC(=O)CNC(=O)N1CCC(OCc2ccccc2)CC1 CC(C)(C)[*:1] O=C(CNC(=O)N1CCC(CC1)OCc1ccccc1)N[*:1]
CC(C)(C)NC(=O)CNC(=O)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)CNC(=O)N1CCC(CC1)OC[*:1]
CC(C)(C)NC(=O)CNC(=O)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)CO[*:1] CC(C)(C)NC(=O)CNC(=O)N1CCC(CC1)[*:1]
CC(C)(C)NC(=O)CNC(=O)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)(C)NC(=O)CNC(=O)N1CCC(CC1)O[*:1]
CC(C)(C)NC(=O)CNC(=O)N1CCC(OCc2ccccc2)CC1 CC(C)(C)NC(=O)[*:1] O=C(NC[*:1])N1CCC(CC1)OCc1ccccc1
CC(C)(C)NC(=O)CNC(=O)N1CCC(OCc2ccccc2)CC1 CC(C)(C)NC(=O)C[*:1] O=C(N[*:1])N1CCC(CC1)OCc1ccccc1
Cc1oc(-c2ccsc2)nc1CN1C(=O)NC2(CCOCC2)C1=O c1cc(cs1)[*:1] Cc1oc(nc1CN1C(=O)NC2(CCOCC2)C1=O)[*:1]
CC(C)c1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 CC(C)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)OC[C@H]1CCCO1
CC(C)c1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 C1CO[C@H](C1)CO[*:1] CC(C)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CCOc1cccc([C@@H](C)NC(=O)N2CCN(c3ccccc3O)CC2)c1 CCO[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ccccc1O)c1cccc(c1)[*:1]
CCOc1cccc([C@@H](C)NC(=O)N2CCN(c3ccccc3O)CC2)c1 CCOc1cccc(c1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ccccc1O)[*:1]
CCOc1cccc([C@@H](C)NC(=O)N2CCN(c3ccccc3O)CC2)c1 Oc1ccccc1[*:1] CCOc1cccc(c1)[C@@H](C)NC(=O)N1CCN(CC1)[*:1]
Cn1nc(-c2cccs2)cc1C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] Cn1nc(cc1C(=O)NC[*:1])-c1cccs1
Cn1nc(-c2cccs2)cc1C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1C(=O)NCC[*:1])-c1cccs1
Cn1nc(-c2cccs2)cc1C(=O)NCCc1ccccc1 c1csc(c1)[*:1] Cn1nc(cc1C(=O)NCCc1ccccc1)[*:1]
Cc1cccc(-c2nc(Cn3cnc4onc(-c5ccc(Cl)cc5)c4c3=O)c(C)o2)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)-c1nc(Cn2cnc3onc(c3c2=O)[*:1])c(C)o1
Cc1cccc(-c2nc(Cn3cnc4onc(-c5ccc(Cl)cc5)c4c3=O)c(C)o2)c1 Cc1cccc(c1)[*:1] Cc1oc(nc1Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O)[*:1]
C[C@@H](CNc1ncnc2c1c(Br)nn2C)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNc1ncnc2c1c(Br)nn2C)[*:1]
CCCCn1c(SC(C)C)n[nH]c1=O CC(C)[*:1] CCCCn1c(n[nH]c1=O)S[*:1]
CCCCn1c(SC(C)C)n[nH]c1=O CC(C)S[*:1] CCCCn1c(n[nH]c1=O)[*:1]
CCCCn1c(SC(C)C)n[nH]c1=O CCC[*:1] CC(C)Sc1n[nH]c(=O)n1C[*:1]
CCCCn1c(SC(C)C)n[nH]c1=O CCCC[*:1] CC(C)Sc1n[nH]c(=O)n1[*:1]
CC[NH2+]C(C)(C)C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] CC[NH2+]C(C)(C)C(=O)NC[C@@H]1CC[C@H](O1)[*:1]
CC(C)CN1C(=O)N=C(N)[C@H]1c1ccc(F)cc1 CC(C)C[*:1] NC1=NC(=O)N([C@@H]1c1ccc(F)cc1)[*:1]
CC(C)CN1C(=O)N=C(N)[C@H]1c1ccc(F)cc1 CC(C)[*:1] NC1=NC(=O)N(C[*:1])[C@@H]1c1ccc(F)cc1
Cc1cc(C)c(S(=O)(=O)N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C)c(C)c1 CC(C)(C)C(=O)N[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(C)C(=O)[C@@H](C)[*:1]
Cc1cc(C)c(S(=O)(=O)N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C)c(C)c1 CC(C)(C)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(C)C(=O)[C@@H](C)NC(=O)[*:1]
O=C(Nc1ccc(Oc2cccnc2)nc1)N1CCOC2(CCCC2)C1 c1cncc(c1)O[*:1] O=C(Nc1ccc(nc1)[*:1])N1CCOC2(CCCC2)C1
O=C(Nc1ccc(Oc2cccnc2)nc1)N1CCOC2(CCCC2)C1 c1cncc(c1)[*:1] O=C(Nc1ccc(nc1)O[*:1])N1CCOC2(CCCC2)C1
CCc1c(C(=O)/C=C/c2ccc(NC(C)=O)cc2)oc2ccccc12 CC(=O)N[*:1] CCc1c(oc2ccccc12)C(=O)/C=C/c1ccc(cc1)[*:1]
COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ncccn2)CC1 COc1ccccc1C=C[*:1] O=C1NCCN(C[*:1])[C@H]1CC(=O)N1CCN(CC1)c1ncccn1
COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ncccn2)CC1 COc1ccccc1[*:1] O=C1NCCN(CC=C[*:1])[C@H]1CC(=O)N1CCN(CC1)c1ncccn1
COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ncccn2)CC1 COc1ccccc1/C=C/C[*:1] O=C1NCCN([C@H]1CC(=O)N1CCN(CC1)c1ncccn1)[*:1]
COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N1CCN(CC1)[*:1]
Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1
O=C([O-])CCCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 O=C([O-])CC[*:1] O=C(COc1ccc2c3CCCc3c(=O)oc2c1)NC[*:1]
O=C([O-])CCCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 O=C([O-])C[*:1] O=C(COc1ccc2c3CCCc3c(=O)oc2c1)NCC[*:1]
O=C([O-])CCCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 O=C([O-])CCC[*:1] O=C(COc1ccc2c3CCCc3c(=O)oc2c1)N[*:1]
O=C([O-])CCCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 O=C([O-])[*:1] O=C(COc1ccc2c3CCCc3c(=O)oc2c1)NCCC[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1-c1cncnc1 c1ncc(cn1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[*:1]
C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)CCCc1nc2ccccc2s1)[*:1]
CN(Cc1ccsc1)C(=O)c1cc2ccccc2[nH]1 c1cc(cs1)[*:1] CN(C[*:1])C(=O)c1cc2ccccc2[nH]1
CN(Cc1ccsc1)C(=O)c1cc2ccccc2[nH]1 c1cc(cs1)C[*:1] CN(C(=O)c1cc2ccccc2[nH]1)[*:1]
CC(C)Cn1nnnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] CC(C)Cn1nnnc1S[C@H](C(=O)N[*:1])c1ccccc1
CC(C)Cn1nnnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 CC(C)[*:1] O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnnn1C[*:1])c1ccccc1
CC(C)Cn1nnnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 CC(C)Cn1nnnc1[*:1] O=C(Nc1ccc(F)cc1)[C@@H](S[*:1])c1ccccc1
CC(C)Cn1nnnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 CC(C)C[*:1] O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnnn1[*:1])c1ccccc1
CC(C)Cn1nnnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)Cn1nnnc1S[C@H](C(=O)Nc1ccc(F)cc1)[*:1]
COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1O Cc1ccc(cc1)[*:1] COc1ccc(/C=C(\C#N)S(=O)(=O)[*:1])cc1O
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)/C=C/C1CC1 CC(C)(C)NS(=O)(=O)[*:1] COc1ccc(cc1NC(=O)/C=C/C1CC1)[*:1]
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)/C=C/C1CC1 CC(C)(C)[*:1] COc1ccc(cc1NC(=O)/C=C/C1CC1)S(=O)(=O)N[*:1]
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)/C=C/C1CC1 C1CC1[*:1] COc1ccc(cc1NC(=O)C=C[*:1])S(=O)(=O)NC(C)(C)C
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)/C=C/C1CC1 C(=C[*:1])C1CC1 COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)NC(C)(C)C
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)/C=C/C1CC1 O=C(/C=C/C1CC1)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)NC(C)(C)C
CC1(C)CC(Nc2ncnc(N(CC#N)CC#N)c2N)CC(C)(C)[NH2+]1 N#CC[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)Nc1ncnc(c1N)N(CC#N)[*:1]
CC1(C)CC(Nc2ncnc(N(CC#N)CC#N)c2N)CC(C)(C)[NH2+]1 N#CCN(CC#N)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)Nc1ncnc(c1N)[*:1]
C[NH+](C)CCNC(=O)c1cccc(NC(=O)Cc2noc3ccccc23)c1 c1ccc2c(noc2c1)[*:1] C[NH+](C)CCNC(=O)c1cccc(c1)NC(=O)C[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)cc1 COC(=O)[*:1] CCOC(=O)C1=C(C)NC2C[C@H](C)[C@@H](C(=O)C=2[C@@H]1c1ccc(Cl)cc1)[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)NC2C[C@H](C)[C@@H](C(=O)OC)C(=O)C=2[C@H]1[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)cc1 CCOC(=O)[*:1] COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C([C@H]2c1ccc(Cl)cc1)[*:1]
CCn1cc(C[NH+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)cn1 CC(C)(C)[*:1] CCn1cc(cn1)C[NH+](C)C1CCC(CC1)NC(=O)O[*:1]
CCn1cc(C[NH+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)cn1 CCn1cc(cn1)C[*:1] C[NH+](C1CCC(CC1)NC(=O)OC(C)(C)C)[*:1]
CCn1cc(C[NH+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)cn1 CCn1cc(cn1)[*:1] C[NH+](C[*:1])C1CCC(CC1)NC(=O)OC(C)(C)C
CCn1cc(C[NH+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)cn1 CC(C)(C)OC(=O)N[*:1] CCn1cc(cn1)C[NH+](C)C1CCC(CC1)[*:1]
CC(C)c1[nH+]n(C)c(N(C)C)c1CN[C@@H](C)Cn1cc[nH+]c1 CC(C)[*:1] C[C@@H](Cn1cc[nH+]c1)NCc1c([nH+]n(C)c1N(C)C)[*:1]
CC(C)c1[nH+]n(C)c(N(C)C)c1CN[C@@H](C)Cn1cc[nH+]c1 CN(C)[*:1] CC(C)c1[nH+]n(C)c(c1CN[C@@H](C)Cn1cc[nH+]c1)[*:1]
NNc1nccc(C(F)(F)F)n1 FC(F)(F)[*:1] NNc1nccc(n1)[*:1]
[NH3+][C@@H]1CCC[C@@H](OCCc2ccccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] [NH3+][C@@H]1CCC[C@H](C1)OCCc1ccccc1[*:1]
Nc1cc(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)ncn1 c1ccc(cc1)[*:1] Nc1cc(ncn1)N1CCC[C@H](C1)c1n[nH]c(=O)n1[*:1]
Nc1cc(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)ncn1 Nc1cc(ncn1)[*:1] O=c1[nH]nc([C@@H]2CCCN(C2)[*:1])n1-c1ccccc1
N#Cc1cccc(COC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 N#Cc1cccc(c1)C[*:1] O=C(CNC(=O)c1ccc(cc1)N1CCCC1=O)O[*:1]
N#Cc1cccc(COC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 O=C1CCCN1[*:1] N#Cc1cccc(c1)COC(=O)CNC(=O)c1ccc(cc1)[*:1]
N#Cc1cccc(COC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 N#Cc1cccc(c1)[*:1] O=C(CNC(=O)c1ccc(cc1)N1CCCC1=O)OC[*:1]
N#C/C(=C/c1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 Clc1cccc(c1)[*:1] N#CC(=C[*:1])C(=O)Nc1sc2CCCCc2c1C#N
Cc1cccc(CCNC(=O)[C@@H](C)[C@@H]2Sc3ccccc3NC2=O)c1 Cc1cccc(c1)[*:1] C[C@H](C(=O)NCC[*:1])[C@@H]1Sc2ccccc2NC1=O
Cc1cccc(CCNC(=O)[C@@H](C)[C@@H]2Sc3ccccc3NC2=O)c1 Cc1cccc(c1)C[*:1] C[C@H](C(=O)NC[*:1])[C@@H]1Sc2ccccc2NC1=O
COc1ccc(CCN2C(=O)CS/C2=N\c2ccc(F)c(Cl)c2)cc1OC Fc1ccc(cc1Cl)[*:1] COc1ccc(cc1OC)CCN1C(=O)CSC1=N[*:1]
CCC[C@@H](C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CCC[*:1] C[C@@H](C(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CCC[C@@H](C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CCC[C@@H](C)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2c(F)ccc(OCC)c2F)C1 CCO[*:1] CCOc1ccc(F)c(C(=O)N2CCC[C@@H](C2)C[*:1])c1F
CCOC[C@H]1CCCN(C(=O)c2c(F)ccc(OCC)c2F)C1 CCO[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1c(F)ccc(c1F)[*:1]
CCOC[C@H]1CCCN(C(=O)c2c(F)ccc(OCC)c2F)C1 CCOC[*:1] CCOc1ccc(F)c(C(=O)N2CCC[C@@H](C2)[*:1])c1F
CNC(=O)NCC(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] CNC(=O)NCC(=O)Nc1ccccc1[*:1]
CNC(=O)NCC(=O)Nc1ccccc1C(=O)NC(C)(C)C CNC(=O)N[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)C[*:1]
CNC(=O)NCC(=O)Nc1ccccc1C(=O)NC(C)(C)C CNC(=O)NC[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)[*:1]
CNC(=O)NCC(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)[*:1] CNC(=O)NCC(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(C)C[C@@H]2C)s1 Cc1ccc(s1)[*:1] C[C@H]1CN(C)CCN1C(=O)[C@@H]1C[C@@H]1[*:1]
COc1ccc(CNC[C@H](O)c2ccco2)c(Cl)c1OC O[C@H](c1ccco1)[*:1] COc1ccc(CNC[*:1])c(Cl)c1OC
COc1ccc(CNC[C@H](O)c2ccco2)c(Cl)c1OC c1coc(c1)[*:1] COc1ccc(CNC[C@H](O)[*:1])c(Cl)c1OC
Cn1cc(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)cn1 Cn1cc(cn1)[*:1] O=C1C[C@@H](C(=O)N[*:1])C2(CCCCC2)O1
NC(=O)c1cc(Cl)ccc1NCc1cccc(F)c1 NC(=O)[*:1] Fc1cccc(c1)CNc1ccc(Cl)cc1[*:1]
Cc1ccc(F)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] Cc1ccc(F)c(c1)NC(=O)c1ccc(cc1)[*:1]
C[C@H]1CCC[C@H](NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)[C@@H]1C Fc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](NC(=O)Cc2ccc(cc2)NS(=O)(=O)[*:1])[C@@H]1C
O=C(NCc1ccnc(-n2ccnc2)c1)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(NCc1ccnc(c1)-n1ccnc1)N1CCC[C@@H]1[*:1]
O=C(NCc1ccnc(-n2ccnc2)c1)N1CCC[C@H]1CN1CCOCC1 c1cn(cn1)[*:1] O=C(NCc1ccnc(c1)[*:1])N1CCC[C@H]1CN1CCOCC1
O=C(NCc1ccnc(-n2ccnc2)c1)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(NCc1ccnc(c1)-n1ccnc1)N1CCC[C@H]1C[*:1]
CCc1nn(C)cc1CNC(=O)N1CCO[C@@H](c2nccs2)C1 c1csc(n1)[*:1] CCc1nn(C)cc1CNC(=O)N1CCO[C@@H](C1)[*:1]
Cn1cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c(-c2ccncc2)n1 c1cc(ccn1)[*:1] Cn1cc(C[NH+]2CCC(CC2)N2CCCCC2=O)c(n1)[*:1]
Cn1cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c(-c2ccncc2)n1 O=C1CCCCN1[*:1] Cn1cc(C[NH+]2CCC(CC2)[*:1])c(n1)-c1ccncc1
Cc1nc(N2CCC(C(=O)N3CCCCC3)CC2)nc2cc3c(cc12)CCC3 O=C(N1CCCCC1)[*:1] Cc1nc(nc2cc3CCCc3cc12)N1CCC(CC1)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1csc([N+](=O)[O-])c1 O=[N+]([O-])c1cc(cs1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1csc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1csc(c1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCCCC(=O)NC2CC2)C1 O=C(C[*:1])NC1CC1 C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCC[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCCCC(=O)NC2CC2)C1 O=C(NC1CC1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCCC[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCCCC(=O)NC2CC2)C1 C1CC1[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCCCC(=O)N[*:1]
Cc1nc(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)n(C2CCCCC2)c1C O=S1(=O)CC[C@@H](C1)[*:1] Cc1nc(S[C@H](C)C(=O)N[*:1])n(c1C)C1CCCCC1
Cc1nc(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)n(C2CCCCC2)c1C C1CCC(CC1)[*:1] Cc1nc(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)n(c1C)[*:1]
C=CC(=O)N[C@H](C)c1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C C=CC(=O)N[*:1] C[C@H]1CCCCN1C(=O)Cn1c(nc2ccccc21)[C@@H](C)[*:1]
C=CC(=O)N[C@H](C)c1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C C=CC(=O)N[C@H](C)[*:1] C[C@H]1CCCCN1C(=O)Cn1c(nc2ccccc21)[*:1]
Cc1ccc2c(NC(=O)[C@@H](C)Oc3ccccc3)cccc2n1 c1ccc(cc1)[*:1] Cc1ccc2c(cccc2n1)NC(=O)[C@@H](C)O[*:1]
Cc1ccc2c(NC(=O)[C@@H](C)Oc3ccccc3)cccc2n1 c1ccc(cc1)O[*:1] Cc1ccc2c(cccc2n1)NC(=O)[C@@H](C)[*:1]
COc1ccc(-c2ccnc3c(-c4ccc(Br)cc4)c(C)nn23)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1ccnc2c(c(C)nn12)[*:1]
COCCO[C@@H](C)C(=O)Nc1c(F)cccc1Br COCC[*:1] C[C@H](O[*:1])C(=O)Nc1c(F)cccc1Br
COCCO[C@@H](C)C(=O)Nc1c(F)cccc1Br COCCO[*:1] C[C@@H](C(=O)Nc1c(F)cccc1Br)[*:1]
COCCO[C@@H](C)C(=O)Nc1c(F)cccc1Br COC[*:1] C[C@H](OC[*:1])C(=O)Nc1c(F)cccc1Br
Cc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(S(=O)(=O)c5ccc(Cl)cc5)C4)nc32)cc1 Cc1ccc(cc1)[*:1] O=c1[nH]c(nc2c1nnn2C[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)cc1
Cc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(S(=O)(=O)c5ccc(Cl)cc5)C4)nc32)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1nnc2c(=O)[nH]c(nc21)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(S(=O)(=O)c5ccc(Cl)cc5)C4)nc32)cc1 Cc1ccc(cc1)C[*:1] O=c1[nH]c(nc2c1nnn2[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)cc1
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Br)cc1 O=C(c1ccc(Br)cc1)[*:1] O=C(OC[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCOCC1
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Br)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(COC(=O)c1ccc(F)c(c1)[*:1])c1ccc(Br)cc1
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)O[C@@H]2CCCCCCCC[C@@H]2O)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(O[C@@H]1CCCCCCCC[C@@H]1O)[*:1]
Nc1nc(-c2ccccc2)nn1C(=O)c1cccnc1 c1cncc(c1)[*:1] Nc1nc(nn1C(=O)[*:1])-c1ccccc1
Nc1nc(-c2ccccc2)nn1C(=O)c1cccnc1 c1ccc(cc1)[*:1] Nc1nc(nn1C(=O)c1cccnc1)[*:1]
CCCOc1ccc(NC(=O)C2(C#N)CCCC2)c(C)c1 N#CC1(CCCC1)[*:1] CCCOc1ccc(NC(=O)[*:1])c(C)c1
CCCOc1ccc(NC(=O)C2(C#N)CCCC2)c(C)c1 CCC[*:1] Cc1cc(ccc1NC(=O)C1(C#N)CCCC1)O[*:1]
CCCOc1ccc(NC(=O)C2(C#N)CCCC2)c(C)c1 CCCO[*:1] Cc1cc(ccc1NC(=O)C1(C#N)CCCC1)[*:1]
CC(=O)Nc1ccc(S[C@@H]2C[C@@H](C)CC[C@@H]2C#N)cc1 CC(=O)N[*:1] C[C@H]1CC[C@H](C#N)[C@@H](C1)Sc1ccc(cc1)[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nnc(Cc2ccccc2)o1 c1ccc(cc1)C[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])Nc1nnc(o1)[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nnc(Cc2ccccc2)o1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])Nc1nnc(Cc2ccccc2)o1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nnc(Cc2ccccc2)o1 c1ccc(cc1)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])Nc1nnc(C[*:1])o1
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)c1ccccc1F COC(=O)[*:1] C[C@@H]([C@H](C)[*:1])S(=O)(=O)c1ccccc1F
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)c1ccccc1F COC(=O)[C@@H](C)[*:1] C[C@H](S(=O)(=O)c1ccccc1F)[*:1]
Nc1cc([C@H]2CCC[NH2+]C2)nc2cc(-c3ccc(F)cc3)nn12 Fc1ccc(cc1)[*:1] Nc1cc(nc2cc(nn12)[*:1])[C@H]1CCC[NH2+]C1
Cc1cc2c(=O)cc(-c3ccc(F)cc3)oc2c(C(=O)[O-])c1C Fc1ccc(cc1)[*:1] Cc1cc2c(=O)cc(oc2c(C(=O)[O-])c1C)[*:1]
Cc1cc2c(=O)cc(-c3ccc(F)cc3)oc2c(C(=O)[O-])c1C O=C([O-])[*:1] Cc1cc2c(=O)cc(oc2c(c1C)[*:1])-c1ccc(F)cc1
CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 CS(=O)(=O)[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)[N+](=O)[O-])c1ccccc1[*:1]
CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccccc1C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])c1ccc(cc1)[*:1] CS(=O)(=O)c1ccccc1C(=O)Nc1nc(cs1)[*:1]
Cc1ccc(-n2nc(O[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(=O)n(n1)[*:1]
Cc1ccc(-n2nc(O[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2=O)cc1C Cc1ccc(Cl)cc1[*:1] Cc1ccc(cc1C)-n1nc(ccc1=O)O[C@@H](C)C(=O)N[*:1]
O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@H](n2cccn2)C1 c1ccc(cc1)[*:1] O=C(c1ccc([nH]c1=O)[*:1])N1CCC[C@H](C1)n1cccn1
O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@H](n2cccn2)C1 c1cnn(c1)[*:1] O=C(c1ccc([nH]c1=O)-c1ccccc1)N1CCC[C@@H](C1)[*:1]
COc1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(N)n2)c1OC c1ccc(cc1)[*:1] COc1cccc(-c2cc(nc(N)n2)-c2ccc(cc2)[*:1])c1OC
CCc1ccc([C@@H]2COCCN2Cc2nc(CCC(C)C)no2)o1 CCc1ccc(o1)[*:1] CC(C)CCc1noc(CN2CCOC[C@H]2[*:1])n1
CCc1ccc([C@@H]2COCCN2Cc2nc(CCC(C)C)no2)o1 CC(C)CC[*:1] CCc1ccc(o1)[C@@H]1COCCN1Cc1nc(no1)[*:1]
CCc1ccc([C@@H]2COCCN2Cc2nc(CCC(C)C)no2)o1 CC(C)C[*:1] CCc1ccc(o1)[C@@H]1COCCN1Cc1nc(C[*:1])no1
CCc1ccc([C@@H]2COCCN2Cc2nc(CCC(C)C)no2)o1 CC(C)[*:1] CCc1ccc(o1)[C@@H]1COCCN1Cc1nc(CC[*:1])no1
COc1ccccc1CCN1Cc2cc(NC(=O)c3ccccc3OC)ccc2OCC1=O COc1ccccc1C[*:1] COc1ccccc1C(=O)Nc1ccc2OCC(=O)N(Cc2c1)C[*:1]
COc1ccccc1CCN1Cc2cc(NC(=O)c3ccccc3OC)ccc2OCC1=O COc1ccccc1[*:1] COc1ccccc1C(=O)Nc1ccc2OCC(=O)N(CC[*:1])Cc2c1
COc1ccccc1CCN1Cc2cc(NC(=O)c3ccccc3OC)ccc2OCC1=O COc1ccccc1CC[*:1] COc1ccccc1C(=O)Nc1ccc2OCC(=O)N(Cc2c1)[*:1]
COc1ccccc1CCN1Cc2cc(NC(=O)c3ccccc3OC)ccc2OCC1=O COc1ccccc1[*:1] COc1ccccc1CCN1Cc2cc(ccc2OCC1=O)NC(=O)[*:1]
COc1ccccc1CCN1Cc2cc(NC(=O)c3ccccc3OC)ccc2OCC1=O COc1ccccc1C(=O)N[*:1] COc1ccccc1CCN1Cc2cc(ccc2OCC1=O)[*:1]
C=C(C)CNC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 C=C(C)CNC(=O)[*:1] c1ccc(cc1)-c1nc2CCCc2c(n1)N1CCC[C@H](C1)[*:1]
C=C(C)CNC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 c1ccc(cc1)[*:1] C=C(C)CNC(=O)[C@@H]1CCCN(C1)c1nc(nc2CCCc21)[*:1]
C=C(C)CNC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 C=C(C)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nc(nc2CCCc21)-c1ccccc1
C=C(C)CNC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 C=C(C)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nc(nc2CCCc21)-c1ccccc1
COC1CC[NH+](CC(=O)N(Cc2ccc(C)cc2)C2CC2)CC1 C1CC1[*:1] COC1CC[NH+](CC1)CC(=O)N(Cc1ccc(C)cc1)[*:1]
COC1CC[NH+](CC(=O)N(Cc2ccc(C)cc2)C2CC2)CC1 Cc1ccc(cc1)[*:1] COC1CC[NH+](CC1)CC(=O)N(C[*:1])C1CC1
COCc1cc(=O)[nH]c2cc(NC(=O)c3ccc(Cl)cc3)ccc12 COC[*:1] O=C(Nc1ccc2c(cc(=O)[nH]c2c1)[*:1])c1ccc(Cl)cc1
COCc1cc(=O)[nH]c2cc(NC(=O)c3ccc(Cl)cc3)ccc12 Clc1ccc(cc1)[*:1] COCc1cc(=O)[nH]c2cc(ccc12)NC(=O)[*:1]
Nc1nn(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc12 O=[N+]([O-])[*:1] Nc1nn(C(=O)/C=C/c2cccc(c2)[*:1])c2ccccc12
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 COc1ccc(cc1)[*:1] O=C1NC(=O)c2cc(ccc21)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(cc1)[*:1]
CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([S@](C)=O)cc1 CCS[*:1] C[S@](=O)c1ccc(cc1)C[NH2+][C@H]1CCCC[C@@H]1[*:1]
C[C@@H](CNC(=O)Nc1cnn(-c2ncccn2)c1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](CNC(=O)Nc1cnn(c1)-c1ncccn1)[*:1]
C[C@@H](CNC(=O)Nc1cnn(-c2ncccn2)c1)c1ccc(F)c(F)c1 c1cnc(nc1)[*:1] C[C@@H](CNC(=O)Nc1cnn(c1)[*:1])c1ccc(F)c(F)c1
CCN(CC)C(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(C)=O)CC1 CC(=O)N1CCC(CC1)[*:1] CCN(CC)C(=O)[C@H](NC(=O)c1ccc(F)cc1)[*:1]
CCN(CC)C(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(C)=O)CC1 Fc1ccc(cc1)[*:1] CCN(CC)C(=O)[C@H](NC(=O)[*:1])C1CCN(CC1)C(C)=O
CCN(CC)C(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(C)=O)CC1 CCN(CC)C(=O)[*:1] CC(=O)N1CCC(CC1)[C@@H](NC(=O)c1ccc(F)cc1)[*:1]
Cc1ccc2c(CS/C(N)=[NH+]/C(C)(C)C)cc(=O)oc2c1 CC(C)(C)[*:1] Cc1ccc2c(cc(=O)oc2c1)CSC(N)=[NH+][*:1]
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn32)cc1 COc1ccc(cc1)[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)[*:1])SCc1ccc(cc1)[N+](=O)[O-]
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn32)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C2C(=O)CCCC=2Nc2nc(nn21)SC[*:1]
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn32)cc1 O=[N+]([O-])c1ccc(cc1)C[*:1] COc1ccc(cc1)[C@H]1C2C(=O)CCCC=2Nc2nc(nn21)S[*:1]
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn32)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@H]1C2C(=O)CCCC=2Nc2nc(nn21)SCc1ccc(cc1)[*:1]
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn32)cc1 O=[N+]([O-])c1ccc(cc1)CS[*:1] COc1ccc(cc1)[C@H]1C2C(=O)CCCC=2Nc2nc(nn21)[*:1]
COC(=O)NCC(=O)NCc1cn2cc(Br)ccc2n1 COC(=O)N[*:1] O=C(C[*:1])NCc1cn2cc(Br)ccc2n1
COC(=O)NCC(=O)NCc1cn2cc(Br)ccc2n1 COC(=O)NC[*:1] O=C(NCc1cn2cc(Br)ccc2n1)[*:1]
CCOc1ccc(S(=O)(=O)NCc2ccco2)cc1C(C)C CC(C)[*:1] CCOc1ccc(cc1[*:1])S(=O)(=O)NCc1ccco1
CCOc1ccc(S(=O)(=O)NCc2ccco2)cc1C(C)C c1coc(c1)[*:1] CCOc1ccc(cc1C(C)C)S(=O)(=O)NC[*:1]
CCOc1ccc(S(=O)(=O)NCc2ccco2)cc1C(C)C c1coc(c1)C[*:1] CCOc1ccc(cc1C(C)C)S(=O)(=O)N[*:1]
CCOc1ccc(S(=O)(=O)NCc2ccco2)cc1C(C)C CCO[*:1] CC(C)c1cc(ccc1[*:1])S(=O)(=O)NCc1ccco1
CCn1nc(CC(C)C)cc1C(=O)Nn1cnnc1 CC(C)C[*:1] CCn1nc(cc1C(=O)Nn1cnnc1)[*:1]
CCn1nc(CC(C)C)cc1C(=O)Nn1cnnc1 CC(C)[*:1] CCn1nc(cc1C(=O)Nn1cnnc1)C[*:1]
CCCC[C@@H](C(=O)OC)[C@@](C)(O)c1ccccc1Cl COC(=O)[*:1] CCCC[C@@H]([C@@](C)(O)c1ccccc1Cl)[*:1]
CCCC[C@@H](C(=O)OC)[C@@](C)(O)c1ccccc1Cl CCC[*:1] COC(=O)[C@H](C[*:1])[C@@](C)(O)c1ccccc1Cl
CCCC[C@@H](C(=O)OC)[C@@](C)(O)c1ccccc1Cl CCCC[*:1] COC(=O)[C@@H]([C@@](C)(O)c1ccccc1Cl)[*:1]
CCCC(=O)N[C@@H](C)c1cccc(Br)c1 CCC[*:1] C[C@H](NC(=O)[*:1])c1cccc(Br)c1
Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nc2[C@@H](CCCn2n1)N[C@@H](C)C[*:1]
CCn1c(S[C@H](C)c2c(F)cccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 Fc1cccc(F)c1[*:1] CCn1c(nc2cc(ccc21)S(=O)(=O)N1CCOCC1)S[C@H](C)[*:1]
CCn1c(S[C@H](C)c2c(F)cccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 O=S(=O)(N1CCOCC1)[*:1] CCn1c(nc2cc(ccc21)[*:1])S[C@H](C)c1c(F)cccc1F
O=C([O-])c1cccc(S(=O)(=O)Cc2cccc(O)c2)c1 O=C([O-])[*:1] O=S(=O)(Cc1cccc(O)c1)c1cccc(c1)[*:1]
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1c(Cl)c2ccccc2n1C COC(=O)[*:1] Cn1c(C(=O)N[C@H]2CCCC[C@@H]2[*:1])c(Cl)c2ccccc21
Cc1nn(C)c(=O)c(C(=O)N[C@H](C)CC(=O)[O-])c1C O=C([O-])C[*:1] Cc1nn(C)c(=O)c(C(=O)N[C@H](C)[*:1])c1C
Cc1nn(C)c(=O)c(C(=O)N[C@H](C)CC(=O)[O-])c1C O=C([O-])[*:1] Cc1nn(C)c(=O)c(C(=O)N[C@H](C)C[*:1])c1C
Cc1sc(NC(=O)c2ccc(Cl)s2)c(C#N)c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(NC(=O)c2ccc(Cl)s2)c(C#N)c1[*:1]
Cc1sc(NC(=O)c2ccc(Cl)s2)c(C#N)c1-c1ccccc1 Clc1ccc(s1)[*:1] Cc1sc(NC(=O)[*:1])c(C#N)c1-c1ccccc1
C[NH+](C)CCC[S@@](=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)CCC[S@@](=O)C(c1ccccc1)[*:1]
Cc1cccc(OCCn2c([C@@H]3CC(=O)N(C4CC4)C3)nc3ccccc32)c1 Cc1cccc(c1)O[*:1] O=C1C[C@H](CN1C1CC1)c1nc2ccccc2n1CC[*:1]
Cc1cccc(OCCn2c([C@@H]3CC(=O)N(C4CC4)C3)nc3ccccc32)c1 Cc1cccc(c1)[*:1] O=C1C[C@H](CN1C1CC1)c1nc2ccccc2n1CCO[*:1]
Cc1cccc(OCCn2c([C@@H]3CC(=O)N(C4CC4)C3)nc3ccccc32)c1 Cc1cccc(c1)OC[*:1] O=C1C[C@H](CN1C1CC1)c1nc2ccccc2n1C[*:1]
Cc1cccc(OCCn2c([C@@H]3CC(=O)N(C4CC4)C3)nc3ccccc32)c1 C1CC1[*:1] Cc1cccc(c1)OCCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
Cc1nn(C)c(NC(=O)N[C@@H]2C[C@@H]2C)c1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1nn(C)c(NC(=O)N[C@@H]2C[C@@H]2C)c1[*:1]
C[C@H](NC(=O)c1oc2ccccc2c1CS(C)(=O)=O)C1CCCCC1 CS(=O)(=O)C[*:1] C[C@H](NC(=O)c1oc2ccccc2c1[*:1])C1CCCCC1
C[C@H](NC(=O)c1oc2ccccc2c1CS(C)(=O)=O)C1CCCCC1 CS(=O)(=O)[*:1] C[C@H](NC(=O)c1oc2ccccc2c1C[*:1])C1CCCCC1
C[C@H](NC(=O)c1oc2ccccc2c1CS(C)(=O)=O)C1CCCCC1 C[C@H](C1CCCCC1)[*:1] CS(=O)(=O)Cc1c(oc2ccccc12)C(=O)N[*:1]
C[C@H](NC(=O)c1oc2ccccc2c1CS(C)(=O)=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)c1oc2ccccc2c1CS(C)(=O)=O)[*:1]
O=C(c1ccsc1)N1CCC[C@H]1c1nnc2ccccn12 c1cc(cs1)[*:1] O=C(N1CCC[C@H]1c1nnc2ccccn12)[*:1]
CCOc1ccc(NC(=O)C[NH+]2CCC(Cn3nc(C)cc3C)CC2)cc1 Cc1cc(C)n(n1)[*:1] CCOc1ccc(cc1)NC(=O)C[NH+]1CCC(CC1)C[*:1]
CCOc1ccc(NC(=O)C[NH+]2CCC(Cn3nc(C)cc3C)CC2)cc1 Cc1cc(C)n(C[*:1])n1 CCOc1ccc(cc1)NC(=O)C[NH+]1CCC(CC1)[*:1]
CCOc1ccc(NC(=O)C[NH+]2CCC(Cn3nc(C)cc3C)CC2)cc1 CCO[*:1] Cc1cc(C)n(CC2CC[NH+](CC2)CC(=O)Nc2ccc(cc2)[*:1])n1
CCOc1ccc(NC(=O)C[NH+]2CCC(Cn3nc(C)cc3C)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1cc(C)n(CC2CC[NH+](CC2)CC(=O)N[*:1])n1
COc1cccc2c(SCC(=O)N/N=C/c3ccccc3)cc(C)nc12 c1ccc(cc1)[*:1] COc1cccc2c(cc(C)nc12)SCC(=O)NN=C[*:1]
C=CCN(C(=S)Nc1cccc(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=S)Nc1cccc(Cl)c1)[*:1]
C=CCN(C(=S)Nc1cccc(Cl)c1)c1ccccc1 C=CC[*:1] S=C(Nc1cccc(Cl)c1)N(c1ccccc1)[*:1]
CC(=O)c1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1 CC(=O)[*:1] O=C(CSc1ncn(n1)-c1ccccc1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1ncn(n1)[*:1]
CC(=O)c1ccc(OCC(=O)/N=c2/[nH]nc(-c3cccc4ccccc34)[nH]2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(CO[*:1])/N=c1/[nH]nc([nH]1)-c1cccc2ccccc12
CC(=O)c1ccc(OCC(=O)/N=c2/[nH]nc(-c3cccc4ccccc34)[nH]2)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])/N=c1/[nH]nc([nH]1)-c1cccc2ccccc12
CCCCc1ccc(C(=O)c2cnccc2C)cc1 CCC[*:1] Cc1ccncc1C(=O)c1ccc(cc1)C[*:1]
CCCCc1ccc(C(=O)c2cnccc2C)cc1 CCCC[*:1] Cc1ccncc1C(=O)c1ccc(cc1)[*:1]
C[C@H]1CN(c2ccc(N)c(OCC3CC3)n2)CCO1 C1CC1[*:1] C[C@H]1CN(CCO1)c1ccc(N)c(n1)OC[*:1]
C[C@H]1CN(c2ccc(N)c(OCC3CC3)n2)CCO1 C1CC1C[*:1] C[C@H]1CN(CCO1)c1ccc(N)c(n1)O[*:1]
C[C@H]1CN(c2ccc(N)c(OCC3CC3)n2)CCO1 C1CC1CO[*:1] C[C@H]1CN(CCO1)c1ccc(N)c(n1)[*:1]
CC1=C2C(=O)CCCC2=N[C@@H]1C(=O)N(C)Cc1ccc(OC(F)F)cc1 FC(F)[*:1] CC1=C2C(=O)CCCC2=N[C@@H]1C(=O)N(C)Cc1ccc(cc1)O[*:1]
CC1=C2C(=O)CCCC2=N[C@@H]1C(=O)N(C)Cc1ccc(OC(F)F)cc1 FC(F)O[*:1] CC1=C2C(=O)CCCC2=N[C@@H]1C(=O)N(C)Cc1ccc(cc1)[*:1]
Cc1nc(-c2cccc(C(=O)N(C)[C@@H](C)Cc3ccsc3)c2)cs1 Cc1nc(cs1)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)c1cccc(c1)[*:1]
Cc1nc(-c2cccc(C(=O)N(C)[C@@H](C)Cc3ccsc3)c2)cs1 c1cc(cs1)[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)N(C)[C@@H](C)C[*:1]
Cc1nc(-c2cccc(C(=O)N(C)[C@@H](C)Cc3ccsc3)c2)cs1 c1cc(cs1)C[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)N(C)[C@@H](C)[*:1]
CCc1ccsc1CNC(=O)CCc1ccc(OC)cc1 CCc1ccsc1[*:1] COc1ccc(cc1)CCC(=O)NC[*:1]
Cc1noc(-c2cccn3c(=O)n([C@H](C)C(=O)NCc4cccs4)nc23)n1 c1csc(c1)[*:1] Cc1noc(n1)-c1cccn2c(=O)n(nc12)[C@H](C)C(=O)NC[*:1]
Cc1noc(-c2cccn3c(=O)n([C@H](C)C(=O)NCc4cccs4)nc23)n1 Cc1noc(n1)[*:1] C[C@H](C(=O)NCc1cccs1)n1nc2c(cccn2c1=O)[*:1]
Cc1noc(-c2cccn3c(=O)n([C@H](C)C(=O)NCc4cccs4)nc23)n1 O=C(NCc1cccs1)[*:1] Cc1noc(n1)-c1cccn2c(=O)n(nc12)[C@H](C)[*:1]
Cc1noc(-c2cccn3c(=O)n([C@H](C)C(=O)NCc4cccs4)nc23)n1 c1csc(c1)C[*:1] Cc1noc(n1)-c1cccn2c(=O)n(nc12)[C@H](C)C(=O)N[*:1]
COC(=O)[C@H](C)N1CCN(C(=O)c2cccc(O)c2)CC1 Oc1cccc(c1)[*:1] COC(=O)[C@H](C)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@H](C)N1CCN(C(=O)c2cccc(O)c2)CC1 COC(=O)[C@H](C)[*:1] O=C(c1cccc(O)c1)N1CCN(CC1)[*:1]
COC(=O)[C@H](C)N1CCN(C(=O)c2cccc(O)c2)CC1 COC(=O)[*:1] C[C@H](N1CCN(CC1)C(=O)c1cccc(O)c1)[*:1]
CCOC(=O)C[C@H](C)CNC(=O)Nc1c(F)cccc1F CCOC(=O)C[*:1] C[C@H](CNC(=O)Nc1c(F)cccc1F)[*:1]
CCOC(=O)C[C@H](C)CNC(=O)Nc1c(F)cccc1F CCOC(=O)[*:1] C[C@H](CNC(=O)Nc1c(F)cccc1F)C[*:1]
Cc1ccc(-c2n[nH]cc2CNc2ccccc2C[NH+]2CCSCC2)o1 Cc1ccc(o1)[*:1] c1ccc(NCc2c[nH]nc2[*:1])c(c1)C[NH+]1CCSCC1
Cn1ncc(NC[C@@](C)(O)c2ccsc2)c(Cl)c1=O c1cc(cs1)[*:1] Cn1ncc(NC[C@@](C)(O)[*:1])c(Cl)c1=O
C[C@H]1CC(Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)C[C@H](C)O1 NC(=O)[*:1] C[C@H]1CC(C[C@H](C)O1)Nc1cccc(c1)N(Cc1ccccc1)C[*:1]
C[C@H]1CC(Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)C[C@H](C)O1 NC(=O)C[*:1] C[C@H]1CC(C[C@H](C)O1)Nc1cccc(c1)N(Cc1ccccc1)[*:1]
C[C@H]1CC(Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)Nc1cccc(c1)N(CC(N)=O)C[*:1]
C[C@H]1CC(Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)C[C@H](C)O1 c1ccc(cc1)C[*:1] C[C@H]1CC(C[C@H](C)O1)Nc1cccc(c1)N(CC(N)=O)[*:1]
O=C(NCCc1ccccc1)Nc1c[nH]c2ccccc2c1=O c1ccc(cc1)[*:1] O=C(NCC[*:1])Nc1c[nH]c2ccccc2c1=O
O=C(NCCc1ccccc1)Nc1c[nH]c2ccccc2c1=O c1ccc(cc1)C[*:1] O=C(NC[*:1])Nc1c[nH]c2ccccc2c1=O
O=C(Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(o1)S(=O)(=O)[*:1]
O=C(Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccccc2)o1 Clc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(o1)S(=O)(=O)c1ccccc1
[NH3+][C@@H](CCC1CCCC1)c1ccc(Br)o1 C1CCC(C1)[*:1] [NH3+][C@@H](CC[*:1])c1ccc(Br)o1
CCCNc1nnc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 CCCN[*:1] O=C1[C@@H](CCN1c1cccc(c1)[N+](=O)[O-])Sc1nnc(s1)[*:1]
CCCNc1nnc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 O=[N+]([O-])[*:1] CCCNc1nnc(S[C@@H]2CCN(C2=O)c2cccc(c2)[*:1])s1
CCCNc1nnc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 CCC[*:1] O=C1[C@@H](CCN1c1cccc(c1)[N+](=O)[O-])Sc1nnc(N[*:1])s1
COc1cccc(N2CCN(C(=O)Cn3cc4c(n3)CC[C@@H](C)C4)CC2)c1 COc1cccc(c1)[*:1] C[C@@H]1CCc2nn(cc2C1)CC(=O)N1CCN(CC1)[*:1]
C=CCN(C(=O)c1cn2ccc(C)cc2n1)[C@H]1CCS(=O)(=O)C1 C=CC[*:1] Cc1ccn2cc(nc2c1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
C=CCN(C(=O)c1cn2ccc(C)cc2n1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C=CCN(C(=O)c1cn2ccc(C)cc2n1)[*:1]
CCCCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1(C)C CCC[*:1] CN(C(=O)[C@@H]1COCCO1)[C@@H]1C[C@H](OC[*:1])C1(C)C
CCCCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1(C)C CCCCO[*:1] CN(C(=O)[C@@H]1COCCO1)[C@@H]1C[C@@H](C1(C)C)[*:1]
CCCCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1(C)C C1CO[C@@H](CO1)[*:1] CCCCO[C@H]1C[C@@H](N(C)C(=O)[*:1])C1(C)C
CCCCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1(C)C CCCC[*:1] CN(C(=O)[C@@H]1COCCO1)[C@@H]1C[C@H](O[*:1])C1(C)C
C[C@H](S[C@@H]1NN=C(C2=NC=CC2)O1)C(=O)NCc1cccs1 c1csc(c1)C[*:1] C[C@H](S[C@@H]1NN=C(O1)C1CC=CN=1)C(=O)N[*:1]
C[C@H](S[C@@H]1NN=C(C2=NC=CC2)O1)C(=O)NCc1cccs1 c1csc(c1)[*:1] C[C@H](S[C@@H]1NN=C(O1)C1CC=CN=1)C(=O)NC[*:1]
O=C(OCCO)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(OCCO)C1C[C@H](N(N=1)c1ccccc1)[*:1]
O=C(OCCO)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 OCC[*:1] O=C(O[*:1])C1C[C@H](c2ccccc2)N(N=1)c1ccccc1
O=C(OCCO)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(OCCO)C1C[C@H](c2ccccc2)N(N=1)[*:1]
CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccco2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)C[C@@H]1C(=O)N(C(=O)N1Cc1ccco1)[*:1]
CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccco2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)NC(=O)C[C@@H]1C(=O)N(C(=O)N1C[*:1])c1ccccc1
CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccco2)cc1 c1coc(c1)C[*:1] CCc1ccc(cc1)NC(=O)C[C@@H]1C(=O)N(C(=O)N1[*:1])c1ccccc1
CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccco2)cc1 CCc1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)N(C(=O)N1Cc1ccco1)c1ccccc1)N[*:1]
C[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccoc1 c1cc(co1)[*:1] C[C@H]([NH2+]Cc1cc(F)ccc1F)[*:1]
Cc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] NC(=O)C1CCN(CC1)[C@H]1CC(=O)N(C1=O)[*:1]
Cc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)c(Cl)c1 NC(=O)[*:1] Cc1ccc(c(Cl)c1)N1C(=O)C[C@@H](C1=O)N1CCC(CC1)[*:1]
Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1cnc2n(c1=O)CCS2 Cn1cnnc1[*:1] O=C(Nc1cc(Cl)ccc1S[*:1])c1cnc2SCCn2c1=O
Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1cnc2n(c1=O)CCS2 Cn1cnnc1S[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1cnc2SCCn2c1=O
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)C[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 Fc1cccc(c1)[*:1] C[C@H](CC[*:1])C(=O)NNC(=O)Cc1ccc(Cl)cc1
C[C@H](CCc1cccc(F)c1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 Fc1cccc(c1)C[*:1] C[C@H](C[*:1])C(=O)NNC(=O)Cc1ccc(Cl)cc1
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 Clc1cccc(c1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)OC(C)C)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 CC(C)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)O[*:1])c1cccc(Cl)c1
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 CC(C)OC(=O)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1[*:1])c1cccc(Cl)c1
CCn1c([C@H](C)NCc2ccc(F)cc2C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] CCn1c(nc2ccccc21)[C@H](C)NCc1ccc(F)cc1[*:1]
CCOc1ccc(CN2CCO[C@H](c3ccc(C)o3)C2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CN1CCO[C@@H](C1)c1ccc(C)o1
CCOc1ccc(CN2CCO[C@H](c3ccc(C)o3)C2)cc1OC Cc1ccc(o1)[*:1] CCOc1ccc(cc1OC)CN1CCO[C@H](C1)[*:1]
C[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccc(cc1)[*:1]
O=C1OCC2=C1[C@H](c1ccc(F)cc1)CC(=O)N2c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1OCC2=C1[C@@H](CC(=O)N2c1cccc(c1)[*:1])c1ccc(F)cc1
O=C1OCC2=C1[C@H](c1ccc(F)cc1)CC(=O)N2c1cccc(C(F)(F)F)c1 Fc1ccc(cc1)[*:1] O=C1OCC2=C1[C@H](CC(=O)N2c1cccc(c1)C(F)(F)F)[*:1]
COC(=O)CC1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 c1ncn(n1)[*:1] COC(=O)CC1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
COC(=O)CC1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 COC(=O)[*:1] c1ncn(n1)-c1ccc(cc1)C[NH+]1CCC(CC1)C[*:1]
COC(=O)CC1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 COC(=O)C[*:1] c1ncn(n1)-c1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
COC(=O)c1ccc(NC[C@H]2CCCC[C@H]2C)c(F)c1F COC(=O)[*:1] C[C@@H]1CCCC[C@@H]1CNc1ccc(c(F)c1F)[*:1]
Cc1nn(C)c2c1nc(N)n2CCc1ccco1 c1coc(c1)C[*:1] Cc1nn(C)c2c1nc(N)n2C[*:1]
Cc1nn(C)c2c1nc(N)n2CCc1ccco1 c1coc(c1)[*:1] Cc1nn(C)c2c1nc(N)n2CC[*:1]
C[C@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)[C@@H](C)c1ccccc1 c1ncn(n1)[*:1] C[C@H](NC(=O)NCc1ccc(cc1)C[*:1])[C@@H](C)c1ccccc1
C[C@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)[C@@H](C)c1ccccc1 c1ncn(C[*:1])n1 C[C@H](NC(=O)NCc1ccc(cc1)[*:1])[C@@H](C)c1ccccc1
C[C@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCc1ccc(cc1)Cn1cncn1)[C@@H](C)[*:1]
C[C@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] C[C@H](NC(=O)NCc1ccc(cc1)Cn1cncn1)[*:1]
Cc1c(C(=O)NCCC(=O)NCC2CCCCC2)cn2nc[nH]c(=O)c12 C1CCC(CC1)C[*:1] Cc1c(cn2nc[nH]c(=O)c12)C(=O)NCCC(=O)N[*:1]
Cc1c(C(=O)NCCC(=O)NCC2CCCCC2)cn2nc[nH]c(=O)c12 C1CCC(CC1)[*:1] Cc1c(cn2nc[nH]c(=O)c12)C(=O)NCCC(=O)NC[*:1]
O=C(N/N=C/c1ccc(Br)cc1)[C@@H](c1ccncc1)N1CCOCC1 c1cc(ccn1)[*:1] O=C(N/N=C/c1ccc(Br)cc1)[C@@H](N1CCOCC1)[*:1]
O=C(N/N=C/c1ccc(Br)cc1)[C@@H](c1ccncc1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(N/N=C/c1ccc(Br)cc1)[C@@H](c1ccncc1)[*:1]
O=C(N/N=C/c1ccc(Br)cc1)[C@@H](c1ccncc1)N1CCOCC1 Brc1ccc(cc1)[*:1] O=C(NN=C[*:1])[C@@H](c1ccncc1)N1CCOCC1
Cc1cccc(O[C@H](C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
Cc1cccc(O[C@H](C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)NCC1CCN(CC1)c1cc[nH+]cc1
Cc1cccc(N2C(=O)[C@@H]3[C@H](CC4=c5ccccc5=[NH+]C4)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)c1 Cc1cccc(c1)[*:1] O=C1[C@@H]2[C@H](CC3C[NH+]=c4ccccc4=3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1[*:1]
CCCCNC(=O)c1cc2nc(OC)ccc2[nH]1 CCC[*:1] COc1ccc2[nH]c(cc2n1)C(=O)NC[*:1]
CCCCNC(=O)c1cc2nc(OC)ccc2[nH]1 CCCC[*:1] COc1ccc2[nH]c(cc2n1)C(=O)N[*:1]
C[NH+](C)CCS[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] C[NH+](C)CCS[C@@H]1CCCN(C[*:1])C1=O
CNS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(C)c(F)c1 CNS(=O)(=O)C[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)[*:1]
CNS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(C)c(F)c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)C[*:1]
O=C(Nc1ccccc1N1CCCC1)c1ccc(-n2cncn2)nc1 c1ncn(n1)[*:1] O=C(Nc1ccccc1N1CCCC1)c1ccc(nc1)[*:1]
O=C(Nc1ccccc1N1CCCC1)c1ccc(-n2cncn2)nc1 C1CCN(C1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(nc1)-n1cncn1
CCc1ccccc1OCC[NH+]1CCC(c2nnc3ccccn23)CC1 CCc1ccccc1[*:1] c1ccn2c(nnc2c1)C1CC[NH+](CCO[*:1])CC1
Cc1ccsc1CNC(=O)[C@H](C)CCc1ccccc1F Cc1ccsc1[*:1] C[C@H](CCc1ccccc1F)C(=O)NC[*:1]
Cc1ccsc1CNC(=O)[C@H](C)CCc1ccccc1F Fc1ccccc1[*:1] Cc1ccsc1CNC(=O)[C@H](C)CC[*:1]
Cc1ccsc1CNC(=O)[C@H](C)CCc1ccccc1F Cc1ccsc1C[*:1] C[C@H](CCc1ccccc1F)C(=O)N[*:1]
O=C([O-])c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl c1ccc(cc1)[*:1] O=C([O-])c1c(nn(c1C(F)(F)Cl)[*:1])C(F)(F)F
O=C([O-])c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl FC(F)(F)[*:1] O=C([O-])c1c(nn(-c2ccccc2)c1C(F)(F)Cl)[*:1]
O=C([O-])c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl O=C([O-])[*:1] FC(F)(F)c1nn(-c2ccccc2)c(c1[*:1])C(F)(F)Cl
O=C([O-])c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl FC(F)(Cl)[*:1] O=C([O-])c1c(nn(-c2ccccc2)c1[*:1])C(F)(F)F
O=C(NCCSc1ccc(Cl)cc1)NCC1CC1 C1CC1[*:1] O=C(NCCSc1ccc(Cl)cc1)NC[*:1]
O=C(NCCSc1ccc(Cl)cc1)NCC1CC1 C1CC1C[*:1] O=C(NCCSc1ccc(Cl)cc1)N[*:1]
C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[*:1]
Cc1ccc(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])c(C)c1 O=C([O-])[*:1] Cc1ccc(C(=O)[C@@H]2CCC[C@@H]2[*:1])c(C)c1
COC[C@H](C)CC(=O)Nc1ccc(C#CCO)c(C)c1 COC[*:1] Cc1cc(ccc1C#CCO)NC(=O)C[C@@H](C)[*:1]
COC[C@H](C)CC(=O)Nc1ccc(C#CCO)c(C)c1 OCC#C[*:1] COC[C@H](C)CC(=O)Nc1ccc(c(C)c1)[*:1]
COC[C@H](C)CC(=O)Nc1ccc(C#CCO)c(C)c1 COC[C@H](C)C[*:1] Cc1cc(ccc1C#CCO)NC(=O)[*:1]
COC[C@H](C)CC(=O)Nc1ccc(C#CCO)c(C)c1 COC[C@H](C)[*:1] Cc1cc(ccc1C#CCO)NC(=O)C[*:1]
COc1ccc(-c2cc(C(=O)Nc3ccncc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-c1cc(nn1[C@H]1CCS(=O)(=O)C1)C(=O)N[*:1]
COc1ccc(-c2cc(C(=O)Nc3ccncc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccncc1)c1cc(n(n1)[C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(-c2cc(C(=O)Nc3ccncc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 O=C(Nc1ccncc1)[*:1] COc1ccc(cc1)-c1cc(nn1[C@H]1CCS(=O)(=O)C1)[*:1]
O=c1[nH]c(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)nc2ccccc12 Fc1ccc(c(F)c1)[*:1] O=c1[nH]c(CSc2nnc(-c3ccccc3)n2[*:1])nc2ccccc12
O=c1[nH]c(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)nc2ccccc12 c1ccc(cc1)[*:1] O=c1[nH]c(CSc2nnc(n2-c2ccc(F)cc2F)[*:1])nc2ccccc12
CCC[NH2+]C/C(=C\c1ccc(Br)cc1)C(C)C CCC[*:1] CC(C)/C(=C/c1ccc(Br)cc1)C[NH2+][*:1]
CCC[NH2+]C/C(=C\c1ccc(Br)cc1)C(C)C CC(C)[*:1] CCC[NH2+]C/C(=C\c1ccc(Br)cc1)[*:1]
Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccc(Cl)cc1Cl
COc1cc(NC(=O)CO/N=C/c2ccccc2F)cc(OC)c1 Fc1ccccc1[*:1] COc1cc(cc(c1)OC)NC(=O)CON=C[*:1]
CN(Cc1ccc(OC(F)F)cc1)C(=O)COc1ccc2c(c1)CCC(=O)N2 FC(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)COc1ccc2NC(=O)CCc2c1
CN(Cc1ccc(OC(F)F)cc1)C(=O)COc1ccc2c(c1)CCC(=O)N2 FC(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)COc1ccc2NC(=O)CCc2c1
CC[C@H]([NH3+])Cc1nc(C)ccc1OCc1ccccc1C Cc1ccccc1[*:1] CC[C@H]([NH3+])Cc1nc(C)ccc1OC[*:1]
Cc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C1CC[C@@H](N1)C(=O)N1CCN(CC1)C(=O)N[*:1]
Cc1nc(NCc2ccccc2)ncc1C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1nc(ncc1C(=O)NC[*:1])NCc1ccccc1
Cc1nc(NCc2ccccc2)ncc1C(=O)NCc1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] Cc1nc(ncc1C(=O)NCc1ccc2OCOc2c1)N[*:1]
Cc1nc(NCc2ccccc2)ncc1C(=O)NCc1ccc2c(c1)OCO2 c1ccc(cc1)CN[*:1] Cc1nc(ncc1C(=O)NCc1ccc2OCOc2c1)[*:1]
Cc1nc(NCc2ccccc2)ncc1C(=O)NCc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)NCc1ccc2OCOc2c1)NC[*:1]
CC(C)(NC(=O)[C@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(NC(=O)[C@H]1COc2ccccc2C1)c1ccc(cc1)[*:1]
Cc1cc(NC(=O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)no1 Cc1cc(no1)[*:1] O=C(C[NH+]1CCN(CC1)C(c1ccccc1)c1ccccc1)N[*:1]
Cc1cc(NC(=O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)no1 Cc1cc(no1)NC(=O)[*:1] c1ccc(cc1)C(c1ccccc1)N1CC[NH+](CC1)C[*:1]
Cc1cc(NC(=O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C[NH+]1CCN(CC1)C(c1ccccc1)[*:1]
COc1cc2ncn(CCC(=O)Nc3cccc4ccccc34)c(=O)c2cc1OC c1ccc2c(cccc2c1)[*:1] COc1cc2ncn(CCC(=O)N[*:1])c(=O)c2cc1OC
C[C@H](C(=O)NNC(=O)c1cccn1C)c1ccc(Br)s1 Cn1cccc1[*:1] C[C@H](C(=O)NNC(=O)[*:1])c1ccc(Br)s1
C[C@H](C(=O)NNC(=O)c1cccn1C)c1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@H](C(=O)NNC(=O)c1cccn1C)[*:1]
O=C(Nc1nncs1)N(Cc1cccc(F)c1)C1CC1 C1CC1[*:1] O=C(Nc1nncs1)N(Cc1cccc(F)c1)[*:1]
O=C(Nc1nncs1)N(Cc1cccc(F)c1)C1CC1 c1nnc(s1)[*:1] O=C(N[*:1])N(Cc1cccc(F)c1)C1CC1
Cc1ccc(NC(=O)[C@](C)(N)C(F)(F)F)c(C)n1 FC(F)(F)[*:1] Cc1ccc(NC(=O)[C@](C)(N)[*:1])c(C)n1
O=C(C1CCCC1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 c1cnn(c1)[*:1] O=C(C1CCCC1)N1CCN(CC1)c1ccc(nn1)[*:1]
O=C(C1CCCC1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 C1CCC(C1)[*:1] O=C(N1CCN(CC1)c1ccc(nn1)-n1cccn1)[*:1]
C[C@H]1Cc2ccccc2N1c1ncnc2c1nnn2Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2N1c1ncnc2c1nnn2C[*:1]
C[C@H]1Cc2ccccc2N1c1ncnc2c1nnn2Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1Cc2ccccc2N1c1ncnc2c1nnn2[*:1]
COC(=O)c1ccsc1NC(=O)C(=O)N[C@H]1C[C@H]1C COC(=O)[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1sccc1[*:1]
Cc1cccc(-n2c(SCC3=NC(=O)[C@@H]4SC=CC4=N3)nnc2-c2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1cccc(c1)-n1c(nnc1[*:1])SCC1=NC(=O)[C@@H]2SC=CC2=N1
Cc1cccc(-n2c(SCC3=NC(=O)[C@@H]4SC=CC4=N3)nnc2-c2ccccc2Cl)c1 Cc1cccc(c1)[*:1] O=C1N=C(CSc2nnc(-c3ccccc3Cl)n2[*:1])N=C2C=CS[C@@H]12
C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[NH+]1CCN(c2ccc(O)cc2)CC1 c1ccc2sc(C[*:1])nc2c1 C[C@@H](C(=O)Nc1ccc(cc1)[*:1])[NH+]1CCN(CC1)c1ccc(O)cc1
C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[NH+]1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)Cc1nc2ccccc2s1)[NH+]1CCN(CC1)[*:1]
C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[NH+]1CCN(c2ccc(O)cc2)CC1 c1ccc2sc(nc2c1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)C[*:1])[NH+]1CCN(CC1)c1ccc(O)cc1
Cc1csc([C@@H]2CCCN(C(=O)COC3CCCC3)C2)n1 C1CCC(C1)OC[*:1] Cc1csc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1csc([C@@H]2CCCN(C(=O)COC3CCCC3)C2)n1 C1CCC(C1)O[*:1] Cc1csc(n1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1csc([C@@H]2CCCN(C(=O)COC3CCCC3)C2)n1 Cc1csc(n1)[*:1] O=C(COC1CCCC1)N1CCC[C@H](C1)[*:1]
Cc1csc([C@@H]2CCCN(C(=O)COC3CCCC3)C2)n1 C1CCC(C1)[*:1] Cc1csc(n1)[C@@H]1CCCN(C1)C(=O)CO[*:1]
CC(C)[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](Sc1nc(n[nH]1)-c1ccc(Cl)cc1)[*:1]
CC(C)[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)N1CCCC1 CC(C)[*:1] O=C([C@@H](Sc1nc(n[nH]1)-c1ccc(Cl)cc1)[*:1])N1CCCC1
CC(C)[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)N1CCCC1 Clc1ccc(cc1)[*:1] CC(C)[C@H](Sc1nc(n[nH]1)[*:1])C(=O)N1CCCC1
COc1cccc(NC(=O)CCc2nnc3n(CC(C)C)c(=O)c4ccccc4n23)c1 CC(C)[*:1] COc1cccc(c1)NC(=O)CCc1nnc2n(C[*:1])c(=O)c3ccccc3n12
COc1cccc(NC(=O)CCc2nnc3n(CC(C)C)c(=O)c4ccccc4n23)c1 COc1cccc(c1)[*:1] CC(C)Cn1c(=O)c2ccccc2n2c(CCC(=O)N[*:1])nnc12
COc1cccc(NC(=O)CCc2nnc3n(CC(C)C)c(=O)c4ccccc4n23)c1 CC(C)C[*:1] COc1cccc(c1)NC(=O)CCc1nnc2n(c(=O)c3ccccc3n12)[*:1]
Cn1cc(CN2CCOCC23CCC3)c(-c2ccncc2)n1 c1cc(ccn1)[*:1] Cn1cc(CN2CCOCC23CCC3)c(n1)[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 Fc1cccc(c1)[*:1] C[C@@H](CC[*:1])C(=O)[C@@H](C#N)c1ccc(cn1)C(F)(F)F
C[C@@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 Fc1cccc(c1)C[*:1] C[C@@H](C[*:1])C(=O)[C@@H](C#N)c1ccc(cn1)C(F)(F)F
C[C@@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)[C@@H](C#N)c1ccc(cn1)[*:1]
CC[C@@H](NC(=O)c1cnc2ccc(C)cn12)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@@H](NC(=O)c1cnc2ccc(C)cn12)[*:1]
CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(C)cc1C c1ccc(cc1)[*:1] CCN(Cc1nc(no1)[*:1])C(=O)COc1ccc(C)cc1C
CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCN(Cc1nc(no1)-c1ccccc1)C(=O)CO[*:1]
CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(C)cc1C Cc1ccc(O[*:1])c(C)c1 CCN(Cc1nc(no1)-c1ccccc1)C(=O)C[*:1]
C[C@H]1CCCN(C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] C[C@H]1CCCN(C1)C(=O)COC(=O)C[C@@H](NC(N)=O)[*:1]
C[C@H]1CCCN(C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)C1 NC(=O)N[*:1] C[C@H]1CCCN(C1)C(=O)COC(=O)C[C@@H](c1ccc(Cl)cc1)[*:1]
O=S(=O)(Cc1ccc(Cl)cc1)NC[C@H](O)c1cccs1 c1csc(c1)[*:1] O=S(=O)(Cc1ccc(Cl)cc1)NC[C@H](O)[*:1]
Cc1cc(NC(=O)CC2CCCC2)n([C@@H]2CCS(=O)(=O)C2)n1 O=S1(=O)CC[C@H](C1)[*:1] Cc1cc(NC(=O)CC2CCCC2)n(n1)[*:1]
Cc1cc(NC(=O)CC2CCCC2)n([C@@H]2CCS(=O)(=O)C2)n1 C1CCC(C1)[*:1] Cc1cc(NC(=O)C[*:1])n(n1)[C@@H]1CCS(=O)(=O)C1
Cc1cc(NC(=O)CC2CCCC2)n([C@@H]2CCS(=O)(=O)C2)n1 C1CCC(C1)C[*:1] Cc1cc(NC(=O)[*:1])n(n1)[C@@H]1CCS(=O)(=O)C1
CCOc1ccccc1C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CCOc1ccccc1C(=O)N[C@H](C)c1noc(C[*:1])n1
CCOc1ccccc1C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 CCO[*:1] C[C@@H](NC(=O)c1ccccc1[*:1])c1noc(Cc2ccccc2)n1
CCOc1ccccc1C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CCOc1ccccc1C(=O)N[C@H](C)c1noc(n1)[*:1]
Cc1ccc(CN(C)C(=O)Cc2cccc3cccnc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN(C[*:1])C(=O)Cc1cccc2cccnc12
CC(C)[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N1CCCC1 CS(=O)(=O)[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1)[*:1])C(=O)N1CCCC1
CC(C)[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N1CCCC1 CC(C)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)N1CCCC1)[*:1]
CC(C)[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1)S(C)(=O)=O)[*:1]
C[C@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)c1nnc(N(C)C)s1 CN(C)[*:1] C[C@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)c1nnc(s1)[*:1]
C[C@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)c1nnc(N(C)C)s1 Clc1ccccc1[*:1] C[C@H](C(=O)NC[*:1])S(=O)(=O)c1nnc(s1)N(C)C
C[C@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)c1nnc(N(C)C)s1 Clc1ccccc1C[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)c1nnc(s1)N(C)C
COc1ccc2oc(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cc2c1 Clc1ccc(cc1)[*:1] COc1ccc2oc(=O)c(cc2c1)-c1nc(no1)[*:1]
O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(NCc2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)Nc1ccc(NC[*:1])c(Cl)c1
O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(NCc2ccccc2)c(Cl)c1 c1ccc(cc1)CN[*:1] O=C(NCc1ccc2OCOc2c1)Nc1ccc(c(Cl)c1)[*:1]
O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(NCc2ccccc2)c(Cl)c1 c1ccc(cc1)C[*:1] O=C(NCc1ccc2OCOc2c1)Nc1ccc(N[*:1])c(Cl)c1
O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(NCc2ccccc2)c(Cl)c1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])Nc1ccc(NCc2ccccc2)c(Cl)c1
COc1cccc([C@@]2(CC(=O)N(C)Cc3nc4ccccc4s3)CC(=O)N(C3CCCC3)C2=O)c1 c1ccc2sc(C[*:1])nc2c1 COc1cccc(c1)[C@]1(CC(=O)N(C1=O)C1CCCC1)CC(=O)N(C)[*:1]
COc1cccc([C@@]2(CC(=O)N(C)Cc3nc4ccccc4s3)CC(=O)N(C3CCCC3)C2=O)c1 COc1cccc(c1)[*:1] CN(Cc1nc2ccccc2s1)C(=O)C[C@]1(CC(=O)N(C1=O)C1CCCC1)[*:1]
COc1cccc([C@@]2(CC(=O)N(C)Cc3nc4ccccc4s3)CC(=O)N(C3CCCC3)C2=O)c1 C1CCC(C1)[*:1] COc1cccc(c1)[C@@]1(CC(=O)N(C)Cc2nc3ccccc3s2)CC(=O)N(C1=O)[*:1]
COc1cccc([C@@]2(CC(=O)N(C)Cc3nc4ccccc4s3)CC(=O)N(C3CCCC3)C2=O)c1 c1ccc2sc(nc2c1)[*:1] COc1cccc(c1)[C@@]1(CC(=O)N(C)C[*:1])CC(=O)N(C1=O)C1CCCC1
COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCCC1 Fc1ccccc1[*:1] COc1ccc(cc1C(=O)N1CCCC1)S(=O)(=O)N[*:1]
COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccccc1F
O=C1CCCC2=C1[C@H](c1ccccn1)c1c(O)n[nH]c1N2 c1ccc(nc1)[*:1] O=C1CCCC2Nc3[nH]nc(O)c3[C@@H](C=21)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)O[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)[*:1]
CCOc1ccc(C(=O)OC)c(F)c1 COC(=O)[*:1] CCOc1ccc(c(F)c1)[*:1]
CCOc1ccc(C(=O)OC)c(F)c1 CCO[*:1] COC(=O)c1ccc(cc1F)[*:1]
CCN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)[C@@H]1CC(=O)N(C1)C1CCCC1)[*:1]
CCN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C1CCCCC1 C1CCC(C1)[*:1] CCN(C(=O)[C@@H]1CC(=O)N(C1)[*:1])C1CCCCC1
Cc1nc2cc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)ccc2o1 c1csc(c1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1cccc(F)c1 Clc1ccc(cc1Cl)[*:1] CN1C(=O)C[C@@H](S/C1=N/c1cccc(F)c1)C(=O)N[*:1]
CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1cccc(F)c1 Fc1cccc(c1)[*:1] CN1C(=O)C[C@@H](SC1=N[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
C[C@@H](Cc1ccccc1)C(=O)OCCc1cccnc1 c1ccc(cc1)[*:1] C[C@@H](C[*:1])C(=O)OCCc1cccnc1
C[C@@H](Cc1ccccc1)C(=O)OCCc1cccnc1 c1cncc(c1)[*:1] C[C@@H](Cc1ccccc1)C(=O)OCC[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)CCSc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)CC[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)CCSc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)CCS[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)CCSc1ccc(Cl)cc1 CN(C)C(=O)[*:1] O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)CCSc1ccc(Cl)cc1 CN(C)C(=O)C[*:1] O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1[*:1]
Cc1cc(-c2cnc(N3CCC(C)CC3)nc2C2CCN(C(=O)[C@H]3CCCO3)CC2)on1 CC1CCN(CC1)[*:1] Cc1cc(on1)-c1cnc(nc1C1CCN(CC1)C(=O)[C@H]1CCCO1)[*:1]
Cc1cc(-c2cnc(N3CCC(C)CC3)nc2C2CCN(C(=O)[C@H]3CCCO3)CC2)on1 Cc1cc(on1)[*:1] CC1CCN(CC1)c1ncc(c(n1)C1CCN(CC1)C(=O)[C@H]1CCCO1)[*:1]
Cc1ccc(CCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)o1 Cc1ccc(o1)[*:1] O=C(CC[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
Cc1ccc(CCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)o1 c1cnc(nc1)[*:1] Cc1ccc(CCC(=O)NC[C@@H]2CCCN(C2)[*:1])o1
Cc1ccc(CCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)o1 Cc1ccc(C[*:1])o1 O=C(C[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
Cc1ccc(CCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)o1 Cc1ccc(CC[*:1])o1 O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1cc(CC(CO)(CO)C(C)C)n(C)n1 CC(C)[*:1] Cc1cc(CC(CO)(CO)[*:1])n(C)n1
O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc[n+]([O-])c1 C1CC1[*:1] O=C(NCc1ccc(cc1)NC(=O)[*:1])c1ccc[n+]([O-])c1
O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc[n+]([O-])c1 [O-][n+]1cccc(c1)[*:1] O=C(Nc1ccc(cc1)CNC(=O)[*:1])C1CC1
O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc[n+]([O-])c1 O=C(N[*:1])C1CC1 O=C(NCc1ccc(cc1)[*:1])c1ccc[n+]([O-])c1
CC(C)(C)NC(=O)c1cccc(NC(=O)Nc2ccccc2)c1 CC(C)(C)NC(=O)[*:1] O=C(Nc1ccccc1)Nc1cccc(c1)[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)Nc2ccccc2)c1 CC(C)(C)[*:1] O=C(Nc1ccccc1)Nc1cccc(c1)C(=O)N[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)N[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CC(C)(C)c1ccccc1 COC(=O)[*:1] CC(C)(CC(=O)N[C@H]1CCCC[C@H]1[*:1])c1ccccc1
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CC(C)(C)[*:1]
CCCC[C@@]1(C)NC(=S)N(c2ccc(Cl)cc2)N1 CCC[*:1] C[C@]1(C[*:1])NC(=S)N(N1)c1ccc(Cl)cc1
CCCC[C@@]1(C)NC(=S)N(c2ccc(Cl)cc2)N1 CCCC[*:1] C[C@]1(NC(=S)N(N1)c1ccc(Cl)cc1)[*:1]
CCCc1nc(C(=O)NOC)n[nH]1 CCC[*:1] CONC(=O)c1n[nH]c(n1)[*:1]
COc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)-c1nn2c(nnc2s1)[*:1]
O=C([O-])CC1=c2ccccc2=[NH+]C1 O=C([O-])[*:1] c1ccc2=C(C[NH+]=c2c1)C[*:1]
O=C([O-])CC1=c2ccccc2=[NH+]C1 O=C([O-])C[*:1] c1ccc2=C(C[NH+]=c2c1)[*:1]
C[C@H](CCCO)NC(=O)c1cc(C2CC2)on1 OCC[*:1] C[C@H](C[*:1])NC(=O)c1cc(on1)C1CC1
C[C@H](CCCO)NC(=O)c1cc(C2CC2)on1 OCCC[*:1] C[C@H](NC(=O)c1cc(on1)C1CC1)[*:1]
C[C@H](CCCO)NC(=O)c1cc(C2CC2)on1 C1CC1[*:1] C[C@H](CCCO)NC(=O)c1cc(on1)[*:1]
Cc1cccc(SCc2cccc(C(N)=O)c2)c1N NC(=O)[*:1] Cc1cccc(SCc2cccc(c2)[*:1])c1N
CCOc1ccc(CCC2CCN(C(=O)c3cccnc3-n3cncn3)CC2)cc1 c1ncn(n1)[*:1] CCOc1ccc(cc1)CCC1CCN(CC1)C(=O)c1cccnc1[*:1]
CCOc1ccc(CCC2CCN(C(=O)c3cccnc3-n3cncn3)CC2)cc1 CCOc1ccc(cc1)C[*:1] O=C(c1cccnc1-n1cncn1)N1CCC(CC1)C[*:1]
CCOc1ccc(CCC2CCN(C(=O)c3cccnc3-n3cncn3)CC2)cc1 CCO[*:1] O=C(c1cccnc1-n1cncn1)N1CCC(CCc2ccc(cc2)[*:1])CC1
CCOc1ccc(CCC2CCN(C(=O)c3cccnc3-n3cncn3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(c1cccnc1-n1cncn1)N1CCC(CC1)CC[*:1]
CC[C@H](C)[C@@H](NC(=S)Nc1ccccc1)C(=O)[O-] CC[C@H](C)[*:1] O=C([O-])[C@H](NC(=S)Nc1ccccc1)[*:1]
CC[C@H](C)[C@@H](NC(=S)Nc1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@@H](NC(=S)Nc1ccccc1)[*:1]
CC[C@H](C)[C@@H](NC(=S)Nc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CC[C@H](C)[C@@H](NC(=S)N[*:1])C(=O)[O-]
Cc1ccc2o/c(=[NH+]\c3ccc(S(N)(=O)=O)cc3)c(C(=O)Nc3ccc(F)cc3)cc2c1 NS(=O)(=O)[*:1] Cc1ccc2o/c(=[NH+]\c3ccc(cc3)[*:1])c(cc2c1)C(=O)Nc1ccc(F)cc1
Cc1ccc2o/c(=[NH+]\c3ccc(S(N)(=O)=O)cc3)c(C(=O)Nc3ccc(F)cc3)cc2c1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccc2o/c(=[NH+]\c3ccc(cc3)S(N)(=O)=O)c(cc2c1)[*:1]
Cc1ccc2o/c(=[NH+]\c3ccc(S(N)(=O)=O)cc3)c(C(=O)Nc3ccc(F)cc3)cc2c1 Fc1ccc(cc1)[*:1] Cc1ccc2o/c(=[NH+]\c3ccc(cc3)S(N)(=O)=O)c(cc2c1)C(=O)N[*:1]
CCc1noc(C)c1C(=O)Nc1ccnn1[C@H](C)CC CC[C@@H](C)[*:1] CCc1noc(C)c1C(=O)Nc1ccnn1[*:1]
C[C@@H](CCc1ccccc1)CC(=O)N1CCN(CC(=O)N(C)C)CC1 CN(C)C(=O)C[*:1] C[C@@H](CCc1ccccc1)CC(=O)N1CCN(CC1)[*:1]
C[C@@H](CCc1ccccc1)CC(=O)N1CCN(CC(=O)N(C)C)CC1 c1ccc(cc1)C[*:1] C[C@H](CC(=O)N1CCN(CC1)CC(=O)N(C)C)C[*:1]
C[C@@H](CCc1ccccc1)CC(=O)N1CCN(CC(=O)N(C)C)CC1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])CC(=O)N1CCN(CC1)CC(=O)N(C)C
C[C@@H](CCc1ccccc1)CC(=O)N1CCN(CC(=O)N(C)C)CC1 CN(C)C(=O)[*:1] C[C@@H](CCc1ccccc1)CC(=O)N1CCN(CC1)C[*:1]
C[C@@H](CCc1ccccc1)CC(=O)N1CCN(CC(=O)N(C)C)CC1 c1ccc(cc1)CC[*:1] C[C@@H](CC(=O)N1CCN(CC1)CC(=O)N(C)C)[*:1]
CCOCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 CCOC[*:1] CN(C[*:1])C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1
CCOCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 CCO[*:1] CN(CC[*:1])C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1
CCOCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 CCOCC[*:1] CN(C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1)[*:1]
CCOCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 Clc1ccc(cc1)[*:1] CCOCCN(C)C(=O)N[C@H](c1cccs1)[*:1]
CCOCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 c1csc(c1)[*:1] CCOCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CCCS(=O)(=O)NCC1CCN(C(=O)c2ccno2)CC1 CCC[*:1] O=C(c1ccno1)N1CCC(CC1)CNS(=O)(=O)[*:1]
CCCS(=O)(=O)NCC1CCN(C(=O)c2ccno2)CC1 CCCS(=O)(=O)N[*:1] O=C(c1ccno1)N1CCC(CC1)C[*:1]
CCCS(=O)(=O)NCC1CCN(C(=O)c2ccno2)CC1 c1cc(on1)[*:1] CCCS(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
COC(=O)CCN(C)C(=O)c1ccc(C(C)(C)C)cc1 COC(=O)CC[*:1] CN(C(=O)c1ccc(cc1)C(C)(C)C)[*:1]
COC(=O)CCN(C)C(=O)c1ccc(C(C)(C)C)cc1 COC(=O)C[*:1] CN(C[*:1])C(=O)c1ccc(cc1)C(C)(C)C
COC(=O)CCN(C)C(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] COC(=O)CCN(C)C(=O)c1ccc(cc1)[*:1]
COC(=O)CCN(C)C(=O)c1ccc(C(C)(C)C)cc1 COC(=O)[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)C(C)(C)C
C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)o1 c1ccc(C[*:1])nc1 C[C@H]1CN(CC[C@@H]1[NH2+]Cc1ccc(o1)C(N)=O)[*:1]
C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)o1 NC(=O)c1ccc(o1)[*:1] C[C@H]1CN(CC[C@@H]1[NH2+]C[*:1])Cc1ccccn1
C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)o1 c1ccc(nc1)[*:1] C[C@H]1CN(CC[C@@H]1[NH2+]Cc1ccc(o1)C(N)=O)C[*:1]
C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)o1 NC(=O)[*:1] C[C@H]1CN(CC[C@@H]1[NH2+]Cc1ccc(o1)[*:1])Cc1ccccn1
C[C@H](NC(=O)CC1CCC1)c1ccc(OCc2cccnc2)cc1 C1CC(C1)C[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)OCc1cccnc1
C[C@H](NC(=O)CC1CCC1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] C[C@H](NC(=O)CC1CCC1)c1ccc(cc1)OC[*:1]
C[C@H](NC(=O)CC1CCC1)c1ccc(OCc2cccnc2)cc1 O=C(CC1CCC1)N[*:1] C[C@H](c1ccc(cc1)OCc1cccnc1)[*:1]
C[C@H](NC(=O)CC1CCC1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)CO[*:1] C[C@H](NC(=O)CC1CCC1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CC1CCC1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] C[C@H](NC(=O)CC1CCC1)c1ccc(cc1)O[*:1]
C[C@H](NC(=O)CC1CCC1)c1ccc(OCc2cccnc2)cc1 C1CC(C1)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)OCc1cccnc1
C[C@H](NC(=O)NCc1ncn(C)n1)[C@H](O)Cc1ccccc1 Cn1cnc(C[*:1])n1 C[C@H](NC(=O)N[*:1])[C@H](O)Cc1ccccc1
C[C@H](NC(=O)NCc1ncn(C)n1)[C@H](O)Cc1ccccc1 Cn1cnc(n1)[*:1] C[C@H](NC(=O)NC[*:1])[C@H](O)Cc1ccccc1
C[C@H](NC(=O)NCc1ncn(C)n1)[C@H](O)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)NCc1ncn(C)n1)[C@H](O)[*:1]
C[C@H](NC(=O)NCc1ncn(C)n1)[C@H](O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCc1ncn(C)n1)[C@H](O)C[*:1]
CC(C)C[C@H](NC(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1 CC(C)C[*:1] O=C(NC1CCN(CC1)C(=O)c1ccco1)N[C@H](c1ccccc1)[*:1]
CC(C)C[C@H](NC(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@H](NC(=O)NC1CCN(CC1)C(=O)c1ccco1)[*:1]
CC(C)C[C@H](NC(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1 CC(C)[*:1] O=C(NC1CCN(CC1)C(=O)c1ccco1)N[C@@H](C[*:1])c1ccccc1
CC(C)C[C@H](NC(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1 c1coc(c1)[*:1] CC(C)C[C@H](NC(=O)NC1CCN(CC1)C(=O)[*:1])c1ccccc1
CCOCc1ccccc1CNC(=O)c1cc2cc(Cl)ccc2nc1C CCO[*:1] Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccccc1C[*:1]
CCOCc1ccccc1CNC(=O)c1cc2cc(Cl)ccc2nc1C CCOC[*:1] Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccccc1[*:1]
Cc1ncsc1CCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 Cc1ncsc1C[*:1] O=C(NC[*:1])[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1
Cc1ncsc1CCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 Cc1ncsc1[*:1] O=C(NCC[*:1])[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1
Cc1ncsc1CCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 Cc1ncsc1CC[*:1] O=C(N[*:1])[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1
Cc1ncsc1CCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 Fc1cccc(c1)C[*:1] Cc1ncsc1CCNC(=O)[C@@H]1CCC(=O)N(C1)[*:1]
Cc1ncsc1CCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] Cc1ncsc1CCNC(=O)[C@@H]1CCC(=O)N(C1)C[*:1]
CN(Cc1csc(-c2cccs2)n1)C(=O)[C@H]1CC=CCC1 c1csc(c1)[*:1] CN(Cc1csc(n1)[*:1])C(=O)[C@H]1CC=CCC1
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(c1)[*:1]
C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H]([NH2+]CC1CC[NH2+]CC1)[*:1]
Cc1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCCCC2)o1 c1ccc(cc1)OC[*:1] Cc1ccc(o1)[C@@H](CNC(=O)[*:1])[NH+]1CCCCC1
Cc1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCCCC2)o1 Cc1ccc(o1)[*:1] O=C(COc1ccccc1)NC[C@@H]([NH+]1CCCCC1)[*:1]
Cc1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCCCC2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)CO[*:1])[NH+]1CCCCC1
Cc1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCCCC2)o1 c1ccc(cc1)O[*:1] Cc1ccc(o1)[C@@H](CNC(=O)C[*:1])[NH+]1CCCCC1
CC(C)[C@H](N[C@H]1C[C@H](C)Sc2sccc21)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@H](N[C@H]1C[C@H](C)Sc2sccc21)c1nc(no1)[*:1]
CC(C)[C@H](N[C@H]1C[C@H](C)Sc2sccc21)c1nc(C2CC2)no1 CC(C)[*:1] C[C@H]1C[C@H](N[C@H](c2nc(no2)C2CC2)[*:1])c2ccsc2S1
Cc1cc(C)n(CC(=O)N2CCC[C@@H](N(C)C(=O)c3nccc4ccccc34)CC2)n1 Cc1cc(C)n(C[*:1])n1 CN(C(=O)c1nccc2ccccc12)[C@@H]1CCCN(CC1)C(=O)[*:1]
Cc1cc(C)n(CC(=O)N2CCC[C@@H](N(C)C(=O)c3nccc4ccccc34)CC2)n1 c1ccc2c(nccc2c1)[*:1] Cc1cc(C)n(CC(=O)N2CCC[C@H](CC2)N(C)C(=O)[*:1])n1
Cc1cc(C)n(CC(=O)N2CCC[C@@H](N(C)C(=O)c3nccc4ccccc34)CC2)n1 Cc1cc(C)n(n1)[*:1] CN(C(=O)c1nccc2ccccc12)[C@@H]1CCCN(CC1)C(=O)C[*:1]
COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccc(Cl)cc5)CC4)nn23)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nnc2ccc(nn12)N1CCC(CC1)C(=O)NC[*:1]
COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccc(Cl)cc5)CC4)nn23)cc1 O=C(NCc1ccc(Cl)cc1)[*:1] COc1ccc(cc1)-c1nnc2ccc(nn12)N1CCC(CC1)[*:1]
COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccc(Cl)cc5)CC4)nn23)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)C1CCN(CC1)c1ccc2nnc(n2n1)[*:1]
COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccc(Cl)cc5)CC4)nn23)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1nnc2ccc(nn12)N1CCC(CC1)C(=O)N[*:1]
CCOc1ccccc1NC(=O)COC(=O)c1ccco1 CCO[*:1] O=C(COC(=O)c1ccco1)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)COC(=O)c1ccco1 c1coc(c1)[*:1] CCOc1ccccc1NC(=O)COC(=O)[*:1]
C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[C@H]1C[C@@H]1[*:1] C[C@H](CNC(=O)[*:1])NC(=O)[C@@H]1C[C@@H]1c1ccccc1
C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)NC(=O)[C@@H]1C[C@H]1[*:1]
C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[C@H]1C[C@H]1[*:1] C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)NC(=O)[*:1]
C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@H]1C[C@H]1[*:1])NC(=O)[C@@H]1C[C@@H]1c1ccccc1
COc1cccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)c1 COc1cccc(c1)[*:1] Cc1nnc(NC(=O)CSc2nccn2[*:1])s1
COc1cccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)c1 Cc1nnc(s1)[*:1] COc1cccc(c1)-n1ccnc1SCC(=O)N[*:1]
C[NH+]1CCN(c2cc(CNC(=O)Cc3ccc(F)cc3F)cc[nH+]2)CC1 Fc1ccc(c(F)c1)[*:1] C[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)C[*:1]
C[C@@H](Sc1nc2ccccc2s1)C(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](Sc1nc2ccccc2s1)C(=O)NCC(C)(C)[*:1]
O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(/C=C/c1ccccc1Cl)Nc1ccc(cc1)[*:1]
O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCCC2=O)cc1 Clc1ccccc1[*:1] O=C(C=C[*:1])Nc1ccc(cc1)N1CCCC1=O
Cc1cccc(-c2ncc(CNCC3=CC=C[C@@H]4N=CC=C34)cn2)c1 Cc1cccc(c1)[*:1] C1=C[C@@H]2N=CC=C2C(=C1)CNCc1cnc(nc1)[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)NC[C@H](C)CN1CCOCC1 C1CN(CCO1)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)NC[C@H](C)C[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)NC[C@H](C)CN1CCOCC1 C1CN(CCO1)C[*:1] CS[C@H]1CCC[C@@H]1NC(=O)NC[C@H](C)[*:1]
O=C([O-])c1ccc(CN[C@H]2CCCNC2=O)nc1 O=C([O-])[*:1] O=C1NCCC[C@@H]1NCc1ccc(cn1)[*:1]
Cn1cc(/C=C(/C#N)c2nc3cccnc3[n-]2)c(-c2ccncc2)n1 c1cc(ccn1)[*:1] Cn1cc(/C=C(/C#N)c2nc3cccnc3[n-]2)c(n1)[*:1]
O=C(N[C@H]1CCc2c(O)cccc21)c1ccncc1 c1cc(ccn1)[*:1] O=C(N[C@H]1CCc2c(O)cccc21)[*:1]
CCCCCOC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O CCCC[*:1] Cc1[nH]c(=O)c(cc1-c1ccccc1)C(=O)OC[*:1]
CCCCCOC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O c1ccc(cc1)[*:1] CCCCCOC(=O)c1cc(c(C)[nH]c1=O)[*:1]
CCCCCOC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O CCCCC[*:1] Cc1[nH]c(=O)c(cc1-c1ccccc1)C(=O)O[*:1]
CCCCCOC(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O CCC[*:1] Cc1[nH]c(=O)c(cc1-c1ccccc1)C(=O)OCC[*:1]
CN(C(=O)CCOC1CCOCC1)c1cc(Cl)cc(Cl)c1 C1CC(CCO1)O[*:1] CN(C(=O)CC[*:1])c1cc(Cl)cc(Cl)c1
CN(C(=O)CCOC1CCOCC1)c1cc(Cl)cc(Cl)c1 C1CC(CCO1)[*:1] CN(C(=O)CCO[*:1])c1cc(Cl)cc(Cl)c1
C[C@@H]1SCC(=O)N(c2cccc(C(F)(F)F)c2)C1=O FC(F)(F)[*:1] C[C@@H]1SCC(=O)N(C1=O)c1cccc(c1)[*:1]
C[C@@H](O)CC[NH2+][C@H]1CCCC1(C)C C[C@@H](O)[*:1] CC1(C)CCC[C@@H]1[NH2+]CC[*:1]
C[C@@H](O)CC[NH2+][C@H]1CCCC1(C)C C[C@@H](O)C[*:1] CC1(C)CCC[C@@H]1[NH2+]C[*:1]
CCC(CC)[C@H]1C[NH+]=C(N)N1c1ccccc1Br CCC(CC)[*:1] NC1=[NH+]C[C@@H](N1c1ccccc1Br)[*:1]
CCCn1c(=O)c2ccccc2n(CC(=O)NCc2cccnc2)c1=O c1cncc(c1)[*:1] CCCn1c(=O)c2ccccc2n(CC(=O)NC[*:1])c1=O
CCCn1c(=O)c2ccccc2n(CC(=O)NCc2cccnc2)c1=O CCC[*:1] O=C(Cn1c(=O)n(c(=O)c2ccccc21)[*:1])NCc1cccnc1
CCCn1c(=O)c2ccccc2n(CC(=O)NCc2cccnc2)c1=O c1cncc(c1)C[*:1] CCCn1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
CCCC(=O)N1CCC(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1 Cn1nnnc1[*:1] CCCC(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
CCCC(=O)N1CCC(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1 CCC[*:1] Cn1nnnc1-c1cccc(c1)NC(=O)C1CCN(CC1)C(=O)[*:1]
O=S(=O)(Cc1csc(-c2ccco2)n1)c1nncn1C1CC1 C1CC1[*:1] O=S(=O)(Cc1csc(n1)-c1ccco1)c1nncn1[*:1]
O=S(=O)(Cc1csc(-c2ccco2)n1)c1nncn1C1CC1 c1coc(c1)[*:1] O=S(=O)(Cc1csc(n1)[*:1])c1nncn1C1CC1
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccccc1[*:1]
CCOC(=O)c1csc(NC(=O)Cc2ccc(C)cc2)n1 CCOC(=O)[*:1] Cc1ccc(cc1)CC(=O)Nc1nc(cs1)[*:1]
CCOC(=O)c1csc(NC(=O)Cc2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCOC(=O)c1csc(n1)NC(=O)C[*:1]
COC(=O)c1ccc(Cl)cc1N[C@H](C)C[C@@H]1CCC[NH2+]1 COC(=O)[*:1] C[C@H](C[C@@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1[*:1]
COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c(OC)c1OC FC(F)(F)[*:1] COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[*:1])c(OC)c1OC
Cc1cnn(CCC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)c1 Cc1cnn(c1)[*:1] Cc1cnn(c1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
Cc1cnn(CCC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)c1 Cc1cnn(c1)[*:1] Cc1cnn(c1)CCC(=O)N1CCC[C@@H](C1)[*:1]
Cc1cnn(CCC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)c1 Cc1cnn(c1)C[*:1] Cc1cnn(c1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2cccc[n+]2[O-])sc2c1CC[C@@H](C)C2 [O-][n+]1ccccc1S[*:1] CCOC(=O)c1c(NC(=O)[C@@H](C)[*:1])sc2C[C@H](C)CCc21
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2cccc[n+]2[O-])sc2c1CC[C@@H](C)C2 CCOC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[C@@H](C)Sc1cccc[n+]1[O-])c2[*:1]
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2cccc[n+]2[O-])sc2c1CC[C@@H](C)C2 [O-][n+]1ccccc1[*:1] CCOC(=O)c1c(NC(=O)[C@@H](C)S[*:1])sc2C[C@H](C)CCc21
Cc1ccc(C[NH+](C)C2CC2)cc1N C1CC1[*:1] Cc1ccc(cc1N)C[NH+](C)[*:1]
O=C(Cc1cc(F)ccc1F)NCC1CCC(c2n[nH]c3nccnc23)CC1 c1cnc2c(n[nH]c2n1)[*:1] O=C(Cc1cc(F)ccc1F)NCC1CCC(CC1)[*:1]
O=C(Cc1cc(F)ccc1F)NCC1CCC(c2n[nH]c3nccnc23)CC1 Fc1ccc(F)c(c1)C[*:1] O=C(NCC1CCC(CC1)c1n[nH]c2nccnc12)[*:1]
O=C(Cc1cc(F)ccc1F)NCC1CCC(c2n[nH]c3nccnc23)CC1 Fc1ccc(F)c(c1)[*:1] O=C(C[*:1])NCC1CCC(CC1)c1n[nH]c2nccnc12
Cc1ccc(C(=O)NCc2cscn2)cc1NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N[*:1])C(=O)NCc1cscn1
Cc1ccc(C(=O)NCc2cscn2)cc1NC(=O)Nc1ccccc1 c1nc(cs1)C[*:1] Cc1ccc(cc1NC(=O)Nc1ccccc1)C(=O)N[*:1]
Cc1ccc(C(=O)NCc2cscn2)cc1NC(=O)Nc1ccccc1 c1nc(cs1)[*:1] Cc1ccc(cc1NC(=O)Nc1ccccc1)C(=O)NC[*:1]
C[C@H]1CN(CCCOc2ccc(C(N)=S)cc2)C[C@@H](C)O1 NC(=S)[*:1] C[C@H]1CN(CCCOc2ccc(cc2)[*:1])C[C@@H](C)O1
C[C@@H](Cc1cccc(F)c1)NC(=O)/C=C/C1CC1 C1CC1[*:1] C[C@@H](Cc1cccc(F)c1)NC(=O)C=C[*:1]
C[C@@H](Cc1cccc(F)c1)NC(=O)/C=C/C1CC1 C(=C[*:1])C1CC1 C[C@@H](Cc1cccc(F)c1)NC(=O)[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CCCCC[C@H]1CC(C)C CC(C)C[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CCCCC[C@@H]1[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CCCCC[C@H]1CC(C)C Cc1n[nH]c(C)c1[*:1] CC(C)C[C@@H]1CCCCCN1C(=O)[C@@H](C)C[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CCCCC[C@H]1CC(C)C CC(C)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CCCCC[C@H]1C[*:1]
Cc1cccc(-n2ccnc2S[C@H](C)C(=O)NC[C@H]2CCCO2)c1 Cc1cccc(c1)[*:1] C[C@@H](Sc1nccn1[*:1])C(=O)NC[C@H]1CCCO1
Cc1cccc(-n2ccnc2S[C@H](C)C(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1cccc(c1)-n1ccnc1S[C@H](C)C(=O)N[*:1]
Cc1cccc(-n2ccnc2S[C@H](C)C(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1cccc(c1)-n1ccnc1S[C@H](C)C(=O)NC[*:1]
O=C(CC1(O)CCCCC1)NCc1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] O=C(CC1(O)CCCCC1)NCc1ccc(cc1)[*:1]
O=C(CC1(O)CCCCC1)NCc1ccc(-c2cccnc2)cc1 OC1(CCCCC1)C[*:1] O=C(NCc1ccc(cc1)-c1cccnc1)[*:1]
O=C(CC1(O)CCCCC1)NCc1ccc(-c2cccnc2)cc1 OC1(CCCCC1)[*:1] O=C(C[*:1])NCc1ccc(cc1)-c1cccnc1
O=C(COc1ccccc1-c1ccccc1)NCC1CC1 O=C(NCC1CC1)[*:1] c1ccc(cc1)-c1ccccc1OC[*:1]
O=C(COc1ccccc1-c1ccccc1)NCC1CC1 c1ccc(cc1)[*:1] O=C(COc1ccccc1[*:1])NCC1CC1
O=C(COc1ccccc1-c1ccccc1)NCC1CC1 C1CC1C[*:1] O=C(COc1ccccc1-c1ccccc1)N[*:1]
O=C(COc1ccccc1-c1ccccc1)NCC1CC1 C1CC1[*:1] O=C(COc1ccccc1-c1ccccc1)NC[*:1]
C[C@@H](NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
Cc1ccc(C)c(C[C@H](C)[C@H](C)[NH2+]C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)C[C@H](C)[C@H](C)[NH2+][*:1]
Cn1cc(CCNc2cncc(OCc3cccc(Cl)c3)n2)cn1 Cn1cc(cn1)[*:1] Clc1cccc(c1)COc1cncc(n1)NCC[*:1]
Cn1cc(CCNc2cncc(OCc3cccc(Cl)c3)n2)cn1 Clc1cccc(c1)C[*:1] Cn1cc(cn1)CCNc1cncc(n1)O[*:1]
Cn1cc(CCNc2cncc(OCc3cccc(Cl)c3)n2)cn1 Cn1cc(cn1)CC[*:1] Clc1cccc(c1)COc1cncc(n1)N[*:1]
Cn1cc(CCNc2cncc(OCc3cccc(Cl)c3)n2)cn1 Cn1cc(cn1)C[*:1] Clc1cccc(c1)COc1cncc(n1)NC[*:1]
Cn1cc(CCNc2cncc(OCc3cccc(Cl)c3)n2)cn1 Clc1cccc(c1)[*:1] Cn1cc(cn1)CCNc1cncc(n1)OC[*:1]
O=C1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CN1Cc1ccccc1 C1CO[C@H](C1)[*:1] O=C1C[C@H](CN1Cc1ccccc1)C(=O)N1CCN(CC1)C(=O)[*:1]
O=C1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
O=C1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCN(CC1)C(=O)[C@H]1CCCO1
Cc1ccccc1CN(C)C(=O)Nc1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] Cc1ccccc1CN(C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1CN(C)C(=O)Nc1ccc(N2CCOC2=O)cc1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)N1CCOC1=O
Cc1ccccc1CN(C)C(=O)Nc1ccc(N2CCOC2=O)cc1 Cc1ccccc1C[*:1] CN(C(=O)Nc1ccc(cc1)N1CCOC1=O)[*:1]
CC(=O)Cc1nsc(/N=C([O-])/C=C2\SC(=O)NC2=O)n1 CC(=O)[*:1] O=C1NC(=O)/C(=C/C([O-])=N/c2nc(C[*:1])ns2)S1
CC(=O)Cc1nsc(/N=C([O-])/C=C2\SC(=O)NC2=O)n1 CC(=O)C[*:1] O=C1NC(=O)/C(=C/C([O-])=N/c2nc(ns2)[*:1])S1
NC(=O)C1(C[NH2+]Cc2ncc(-c3ccccc3)s2)CCOCC1 c1ccc(cc1)[*:1] NC(=O)C1(CCOCC1)C[NH2+]Cc1ncc(s1)[*:1]
NC(=O)C1(C[NH2+]Cc2ncc(-c3ccccc3)s2)CCOCC1 NC(=O)[*:1] c1ccc(cc1)-c1cnc(C[NH2+]CC2(CCOCC2)[*:1])s1
Cc1cccc(CS(=O)(=O)NC[C@@]2(O)CCOc3ccccc32)c1 Cc1cccc(c1)C[*:1] O=S(=O)(NC[C@@]1(O)CCOc2ccccc21)[*:1]
Cc1cccc(CS(=O)(=O)NC[C@@]2(O)CCOc3ccccc32)c1 Cc1cccc(c1)[*:1] O=S(=O)(C[*:1])NC[C@@]1(O)CCOc2ccccc21
CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cncc(C)c1 Cc1cncc(c1)[*:1] CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(C=C[*:1])cc1)N1CCO[C@H](C1)c1ccccc1F
CCOC(=O)/C=C/c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1 CCOC(=O)C=C[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCO[C@H](C1)c1ccccc1F
CCOC(=O)/C=C/c1ccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1 Fc1ccccc1[*:1] CCOC(=O)/C=C/c1ccc(cc1)NC(=O)N1CCO[C@@H](C1)[*:1]
Cc1cc(CC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)no1 Cc1cc(no1)[*:1] C[C@@H](NC(=O)C[*:1])c1nc(no1)-c1ccc(Cl)cc1
Cc1cc(CC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)no1 Cc1cc(C[*:1])no1 C[C@@H](NC(=O)[*:1])c1nc(no1)-c1ccc(Cl)cc1
Cc1cc(CC(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)no1 Clc1ccc(cc1)[*:1] Cc1cc(CC(=O)N[C@H](C)c2nc(no2)[*:1])no1
O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(c1)[*:1]
O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 c1csc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1cccc(c1)S(=O)(=O)N1CCCCC1
C#CCOC(=O)Cn1cc(C2CC2)nn1 C1CC1[*:1] C#CCOC(=O)Cn1cc(nn1)[*:1]
C#CCOC(=O)Cn1cc(C2CC2)nn1 C#CC[*:1] O=C(Cn1cc(nn1)C1CC1)O[*:1]
Cn1cc(C#N)cc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cn1cc(C#N)cc1C(=O)N[C@@H](C#N)[*:1]
Cn1ncc2c(NCc3ccccc3-n3ccnc3)ncnc21 c1cn(cn1)[*:1] Cn1ncc2c(ncnc21)NCc1ccccc1[*:1]
O=C(NCc1csc(-c2ccccc2)n1)c1ccc(Cl)o1 Clc1ccc(o1)[*:1] O=C(NCc1csc(n1)-c1ccccc1)[*:1]
O=C(NCc1csc(-c2ccccc2)n1)c1ccc(Cl)o1 c1ccc(cc1)[*:1] O=C(NCc1csc(n1)[*:1])c1ccc(Cl)o1
O=[N+]([O-])c1cc2c(c(C[NH+]3CCN(c4ccc(F)cc4)CC3)c1)OCOC2 O=[N+]([O-])[*:1] Fc1ccc(cc1)N1CC[NH+](CC1)Cc1cc(cc2COCOc21)[*:1]
O=[N+]([O-])c1cc2c(c(C[NH+]3CCN(c4ccc(F)cc4)CC3)c1)OCOC2 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1cc2COCOc2c(c1)C[NH+]1CCN(CC1)[*:1]
O=C(c1cccc(=O)[nH]1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 c1ccc(cc1)C[*:1] O=C(c1cccc(=O)[nH]1)N1CCC(CC1)c1cc(n[nH]1)[*:1]
O=C(c1cccc(=O)[nH]1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 c1ccc(cc1)[*:1] O=C(c1cccc(=O)[nH]1)N1CCC(CC1)c1cc(C[*:1])n[nH]1
O=C(c1cccc(=O)[nH]1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 O=c1cccc([nH]1)[*:1] O=C(N1CCC(CC1)c1cc(Cc2ccccc2)n[nH]1)[*:1]
C[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)[C@H](C)n1cccn1 c1cnn(c1)[*:1] C[C@H]([NH2+]Cc1ccc(c(F)c1)-n1cncn1)[C@H](C)[*:1]
C[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)[C@H](C)n1cccn1 c1ncn(n1)[*:1] C[C@H]([NH2+]Cc1ccc(c(F)c1)[*:1])[C@H](C)n1cccn1
CC(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 CC(C)C[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)N2CCCC[C@H]2C[*:1])c1=O
CC(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 CC(C)CC[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)N2CCCC[C@H]2[*:1])c1=O
CC(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] CC(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(cc1)[*:1]
CC(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 CC(C)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)N2CCCC[C@H]2CC[*:1])c1=O
O=C(c1cc(F)ccc1F)C1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1cc(F)ccc1F)C1CCN(CC1)[*:1]
CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2[nH]1 C(=C[*:1])c1ccccc1 CC[C@@H](C)[C@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2[nH]1 CC[C@@H](C)[*:1] O=C(/C=C/c1ccccc1)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@H](NC(=O)C=C[*:1])c1nc2ccccc2[nH]1
Cc1ccccc1/[N+]([O-])=C/c1ccc(OC(F)F)cc1 FC(F)[*:1] Cc1ccccc1/[N+]([O-])=C/c1ccc(cc1)O[*:1]
Cc1ccccc1/[N+]([O-])=C/c1ccc(OC(F)F)cc1 FC(F)O[*:1] Cc1ccccc1/[N+]([O-])=C/c1ccc(cc1)[*:1]
Cc1ccc(CNC[C@H](c2cccs2)[NH+]2CCCC2)o1 c1csc(c1)[*:1] Cc1ccc(CNC[C@H]([NH+]2CCCC2)[*:1])o1
Cc1ccc(CNC[C@H](c2cccs2)[NH+]2CCCC2)o1 Cc1ccc(o1)[*:1] c1csc(c1)[C@@H](CNC[*:1])[NH+]1CCCC1
C#CCOc1ccc(CC[NH2+][C@@H](C)C2(C)CC2)cc1 C#CCO[*:1] C[C@H]([NH2+]CCc1ccc(cc1)[*:1])C1(C)CC1
C#CCOc1ccc(CC[NH2+][C@@H](C)C2(C)CC2)cc1 CC1(CC1)[*:1] C#CCOc1ccc(cc1)CC[NH2+][C@@H](C)[*:1]
C#CCOc1ccc(CC[NH2+][C@@H](C)C2(C)CC2)cc1 C#CC[*:1] C[C@H]([NH2+]CCc1ccc(cc1)O[*:1])C1(C)CC1
Cc1cc(=O)n2nc(-c3cccs3)nc2n1CC(=O)Nc1cccc(Cl)c1 c1csc(c1)[*:1] Cc1cc(=O)n2nc(nc2n1CC(=O)Nc1cccc(Cl)c1)[*:1]
Cc1cc(=O)n2nc(-c3cccs3)nc2n1CC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1cc(=O)n2nc(nc2n1CC(=O)N[*:1])-c1cccs1
Cn1cc[nH+]c1N(CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] Cn1cc[nH+]c1N(CC1CC[NH2+]CC1)[*:1]
O=C(Cc1ccc2ccccc2c1)N/N=C/Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc2ccccc2c1)N/N=C/C[*:1]
O=C(Cc1ccc2ccccc2c1)N/N=C/Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1ccc2ccccc2c1)NN=C[*:1]
C[NH2+][C@H](Cc1ccc(OC(F)(F)F)cc1)[C@H]1CSCCS1 FC(F)(F)O[*:1] C[NH2+][C@H](Cc1ccc(cc1)[*:1])[C@H]1CSCCS1
C[NH2+][C@H](Cc1ccc(OC(F)(F)F)cc1)[C@H]1CSCCS1 FC(F)(F)[*:1] C[NH2+][C@H](Cc1ccc(cc1)O[*:1])[C@H]1CSCCS1
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[*:1]
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 Clc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N(C)c1ccccc1
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 CC(C)[*:1] CN(C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[*:1])c1ccccc1
Cc1n[nH]c(C(=O)Nc2ccc3[nH]ncc3c2)n1 Cc1n[nH]c(n1)[*:1] O=C(Nc1ccc2[nH]ncc2c1)[*:1]
Cc1ccc(NC(=O)C[NH+](C)Cc2cc(C)on2)c(C)c1 Cc1cc(C[*:1])no1 Cc1ccc(NC(=O)C[NH+](C)[*:1])c(C)c1
Cc1ccc(NC(=O)C[NH+](C)Cc2cc(C)on2)c(C)c1 Cc1cc(no1)[*:1] Cc1ccc(NC(=O)C[NH+](C)C[*:1])c(C)c1
Cc1ccccc1/[NH+]=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 O=C(NC[C@@H]1CCCO1)[*:1] Cc1ccccc1/[NH+]=c1\oc2ccc(Cl)cc2cc1[*:1]
Cc1ccccc1/[NH+]=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1ccccc1/[NH+]=c1\oc2ccc(Cl)cc2cc1C(=O)N[*:1]
Cc1ccccc1/[NH+]=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 Cc1ccccc1[*:1] O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2oc1=[NH+][*:1]
Cc1ccccc1/[NH+]=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ccccc1/[NH+]=c1\oc2ccc(Cl)cc2cc1C(=O)NC[*:1]
C[C@@H](Sc1nnc(C(F)(F)F)n1C)c1nc(N)nc(N(C)C)n1 FC(F)(F)[*:1] C[C@@H](Sc1nnc(n1C)[*:1])c1nc(N)nc(n1)N(C)C
C[C@@H](Sc1nnc(C(F)(F)F)n1C)c1nc(N)nc(N(C)C)n1 CN(C)[*:1] C[C@@H](Sc1nnc(n1C)C(F)(F)F)c1nc(N)nc(n1)[*:1]
CCCc1noc(CCC(=O)N2CCC[C@@H](C(F)(F)F)C2)n1 FC(F)(F)[*:1] CCCc1noc(CCC(=O)N2CCC[C@@H](C2)[*:1])n1
CCCc1noc(CCC(=O)N2CCC[C@@H](C(F)(F)F)C2)n1 CCC[*:1] O=C(CCc1nc(no1)[*:1])N1CCC[C@H](C1)C(F)(F)F
COc1ccc([C@H]2C[C@@H](C)N(C(=O)[C@@H](C)c3ccsc3)C2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](C)N(C1)C(=O)[C@@H](C)[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)[C@@H](C)c3ccsc3)C2)cc1 C[C@@H](c1ccsc1)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](C)N(C1)C(=O)[*:1]
Cc1ccc(Nc2scc(-c3ccc(Cl)s3)[n+]2C)cc1C Clc1ccc(s1)[*:1] Cc1ccc(cc1C)Nc1scc([n+]1C)[*:1]
CC[C@@H](C)NC(=O)CCCNC(=O)c1ccco1 c1coc(c1)[*:1] CC[C@@H](C)NC(=O)CCCNC(=O)[*:1]
CC[C@@H](C)NC(=O)CCCNC(=O)c1ccco1 CC[C@@H](C)[*:1] O=C(CCCNC(=O)c1ccco1)N[*:1]
Cc1cc2c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)cnc2s1 Clc1ccc(cc1)C[*:1] Cc1cc2c(=O)n(cnc2s1)CC(=O)NC[*:1]
Cc1cc2c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)cnc2s1 Clc1ccc(cc1)[*:1] Cc1cc2c(=O)n(cnc2s1)CC(=O)NCC[*:1]
CCC(=O)Nc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1C CCC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccc(cc1)C(C)(C)C
CCC(=O)Nc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1C CC(C)(C)[*:1] CCC(=O)Nc1cc(ccc1C)NC(=O)c1ccc(cc1)[*:1]
CCCCc1nnc(NC(=O)c2sccc2-c2ccccc2)s1 c1ccc(cc1)[*:1] CCCCc1nnc(NC(=O)c2sccc2[*:1])s1
CCCCc1nnc(NC(=O)c2sccc2-c2ccccc2)s1 CCC[*:1] O=C(Nc1nnc(C[*:1])s1)c1sccc1-c1ccccc1
CCCCc1nnc(NC(=O)c2sccc2-c2ccccc2)s1 CCCC[*:1] O=C(Nc1nnc(s1)[*:1])c1sccc1-c1ccccc1
C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)O[*:1]
C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)Oc1ccc(F)cc1 C1CC1C[*:1] C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C1)[*:1])Oc1ccc(F)cc1
C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)[*:1]
C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)Oc1ccc(F)cc1 C1CC1[*:1] C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C1)C[*:1])Oc1ccc(F)cc1
COC(=O)CNC(=O)N1CCC[C@H]1c1cc(C)on1 Cc1cc(no1)[*:1] COC(=O)CNC(=O)N1CCC[C@@H]1[*:1]
COC(=O)CNC(=O)N1CCC[C@H]1c1cc(C)on1 COC(=O)[*:1] Cc1cc(no1)[C@@H]1CCCN1C(=O)NC[*:1]
COC(=O)CNC(=O)N1CCC[C@H]1c1cc(C)on1 COC(=O)C[*:1] Cc1cc(no1)[C@@H]1CCCN1C(=O)N[*:1]
O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(COC(=O)c1cc2CCCCc2s1)Nc1ccc(cc1)[*:1]
O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1c(sc2CCCCc12)[*:1] O=C(COC(=O)[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)nc2n1 Clc1cccc(c1Cl)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)OCC(=O)N[*:1]
CN(C(=O)CSc1nncn2c1cc1sccc12)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CSc1nncn2c1cc1sccc12)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S[C@H]2NN=C(N)S2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)S[C@H]2NN=C(N)S2)c(C)c1[*:1]
O=[N+]([O-])c1ccc(-n2nnnc2SCc2cccc(Cl)c2)cc1 O=[N+]([O-])[*:1] Clc1cccc(c1)CSc1nnnn1-c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(-n2nnnc2SCc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)-n1nnnc1SC[*:1]
CCOc1cccc(NC(=O)C[C@@H]2S/C(=N\c3cccc(C(F)(F)F)c3)N(C)C2=O)c1 FC(F)(F)[*:1] CCOc1cccc(c1)NC(=O)C[C@@H]1S/C(=N\c2cccc(c2)[*:1])N(C)C1=O
CCOc1cccc(NC(=O)C[C@@H]2S/C(=N\c3cccc(C(F)(F)F)c3)N(C)C2=O)c1 CCOc1cccc(c1)[*:1] CN1C(=O)[C@H](CC(=O)N[*:1])S/C1=N\c1cccc(c1)C(F)(F)F
CCOc1cccc(NC(=O)C[C@@H]2S/C(=N\c3cccc(C(F)(F)F)c3)N(C)C2=O)c1 CCO[*:1] CN1C(=O)[C@H](CC(=O)Nc2cccc(c2)[*:1])S/C1=N\c1cccc(c1)C(F)(F)F
CCOc1cccc(NC(=O)C[C@@H]2S/C(=N\c3cccc(C(F)(F)F)c3)N(C)C2=O)c1 FC(F)(F)c1cccc(c1)[*:1] CCOc1cccc(c1)NC(=O)C[C@@H]1SC(=N[*:1])N(C)C1=O
COC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)ccc2F)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)c1cc(Cl)ccc1F)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)NCC[NH+]1CCN(c2nc3c(C)ccc(C)c3s2)CC1 CCS(=O)(=O)c1ccccc1[*:1] Cc1ccc(C)c2sc(nc12)N1CC[NH+](CCNC(=O)[*:1])CC1
CCS(=O)(=O)c1ccccc1C(=O)NCC[NH+]1CCN(c2nc3c(C)ccc(C)c3s2)CC1 CCS(=O)(=O)[*:1] Cc1ccc(C)c2sc(nc12)N1CC[NH+](CCNC(=O)c2ccccc2[*:1])CC1
CCS(=O)(=O)c1ccccc1C(=O)NCC[NH+]1CCN(c2nc3c(C)ccc(C)c3s2)CC1 Cc1ccc(C)c2sc(nc12)[*:1] CCS(=O)(=O)c1ccccc1C(=O)NCC[NH+]1CCN(CC1)[*:1]
O=C(c1cc(Cl)ccc1O)N1CCCN(C(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(c1cc(Cl)ccc1O)N1CCCN(CC1)C(=O)[*:1]
O=C(c1cc(Cl)ccc1O)N1CCCN(C(=O)c2ccccc2Cl)CC1 Oc1ccc(Cl)cc1[*:1] O=C(c1ccccc1Cl)N1CCCN(CC1)C(=O)[*:1]
C[C@@]1(Cc2ccccc2)CC[NH2+]C[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@]1(CC[NH2+]C[C@H]1Cc1ccccc1)C[*:1]
C[C@@]1(Cc2ccccc2)CC[NH2+]C[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@]1(CC[NH2+]C[C@@H]1[*:1])Cc1ccccc1
C[C@@]1(Cc2ccccc2)CC[NH2+]C[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@]1(CC[NH2+]C[C@H]1Cc1ccccc1)[*:1]
C[C@@]1(Cc2ccccc2)CC[NH2+]C[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@]1(CC[NH2+]C[C@H]1C[*:1])Cc1ccccc1
COc1ccc(CCNC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)O[C@H](C)C(=O)NCC[*:1]
COc1ccc(CCNC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1)CCNC(=O)[C@@H](C)O[*:1]
O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(O)c1)n1ncnc1N2 c1csc(c1)[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@H](C=21)c1cccc(O)c1)[*:1]
O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(O)c1)n1ncnc1N2 Oc1cccc(c1)[*:1] O=C1C[C@@H](CC2Nc3ncnn3[C@@H](C=21)[*:1])c1cccs1
CC[NH+]1CCN(c2cc(CNC(=O)Nc3cn[nH]c3)cc[nH+]2)CC1 c1n[nH]cc1[*:1] CC[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)N[*:1]
Cc1cccc(N2C(=O)CS[C@]23C(=O)N(CC(=O)NCc2ccccc2Cl)c2ccccc23)c1 Clc1ccccc1[*:1] Cc1cccc(c1)N1C(=O)CS[C@]12C(=O)N(CC(=O)NC[*:1])c1ccccc12
Cc1cccc(N2C(=O)CS[C@]23C(=O)N(CC(=O)NCc2ccccc2Cl)c2ccccc23)c1 O=C(NCc1ccccc1Cl)[*:1] Cc1cccc(c1)N1C(=O)CS[C@]12C(=O)N(C[*:1])c1ccccc12
Cc1cccc(N2C(=O)CS[C@]23C(=O)N(CC(=O)NCc2ccccc2Cl)c2ccccc23)c1 Cc1cccc(c1)[*:1] O=C(CN1C(=O)[C@]2(SCC(=O)N2[*:1])c2ccccc21)NCc1ccccc1Cl
Cc1cccc(N2C(=O)CS[C@]23C(=O)N(CC(=O)NCc2ccccc2Cl)c2ccccc23)c1 Clc1ccccc1C[*:1] Cc1cccc(c1)N1C(=O)CS[C@]12C(=O)N(CC(=O)N[*:1])c1ccccc12
O=c1[nH]c(-c2ccccc2Cl)nc2sc3c(c12)CCCC3 Clc1ccccc1[*:1] O=c1[nH]c(nc2sc3CCCCc3c12)[*:1]
Cc1ocnc1CNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 Cc1ocnc1[*:1] O=C(NC[*:1])N[C@@H]1CCCN(C1)c1ccccc1F
Cc1ocnc1CNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 Fc1ccccc1[*:1] Cc1ocnc1CNC(=O)N[C@@H]1CCCN(C1)[*:1]
Cc1ocnc1CNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 Cc1ocnc1C[*:1] O=C(N[C@@H]1CCCN(C1)c1ccccc1F)N[*:1]
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] CC[C@H](C)[*:1] CC(C)[C@@H](C(=O)N[C@H](C(=O)[O-])[*:1])n1c(=O)[nH]c2ccccc2c1=O
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)[*:1]
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] CC(C)[*:1] CC[C@H](C)[C@H](NC(=O)[C@H](n1c(=O)[nH]c2ccccc2c1=O)[*:1])C(=O)[O-]
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cccnc2)C1=O O=C(Nc1cccnc1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc2ccccc2c1
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cccnc2)C1=O c1cncc(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2ccccc2c1
CC(C)([C@@H]([NH3+])CC1CC1)[NH+]1CCCCC1 C1CC1[*:1] CC(C)([C@@H]([NH3+])C[*:1])[NH+]1CCCCC1
CC(C)([C@@H]([NH3+])CC1CC1)[NH+]1CCCCC1 C1CC1C[*:1] CC(C)([C@@H]([NH3+])[*:1])[NH+]1CCCCC1
CCOc1ccc([C@H]2C[C@@H](c3ccccc3C)n3nc(N)nc3N2)cc1 CCO[*:1] Cc1ccccc1[C@@H]1C[C@@H](Nc2nc(N)nn21)c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2C[C@@H](c3ccccc3C)n3nc(N)nc3N2)cc1 Cc1ccccc1[*:1] CCOc1ccc(cc1)[C@H]1C[C@@H](n2nc(N)nc2N1)[*:1]
CCc1ccc(C(=O)N[C@H](C(N)=S)C2CCCCC2)o1 NC(=S)[*:1] CCc1ccc(o1)C(=O)N[C@H](C1CCCCC1)[*:1]
CCc1ccc(C(=O)N[C@H](C(N)=S)C2CCCCC2)o1 C1CCC(CC1)[*:1] CCc1ccc(o1)C(=O)N[C@H](C(N)=S)[*:1]
Cc1ccc2nc([C@@H](C)Cl)n(C3CCOCC3)c2c1 C[C@@H](Cl)[*:1] Cc1ccc2nc(n(c2c1)C1CCOCC1)[*:1]
Cc1ccc2nc([C@@H](C)Cl)n(C3CCOCC3)c2c1 C1CC(CCO1)[*:1] Cc1ccc2nc([C@@H](C)Cl)n(c2c1)[*:1]
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Br)o1 O=[N+]([O-])[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccc(Br)o1
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(Oc1ccc(cc1)[N+](=O)[O-])[*:1]
O=C1CCCc2c1ccn2C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCc2c1ccn2C(=O)[*:1]
O=[N+]([O-])c1c(/C=C/c2cc(Br)ccc2O)nc2ncnn2c1[O-] O=[N+]([O-])[*:1] [O-]c1c(c(/C=C/c2cc(Br)ccc2O)nc2ncnn12)[*:1]
O=C([O-])c1cncc(Oc2cc(F)ccc2F)n1 O=C([O-])[*:1] Fc1ccc(F)c(c1)Oc1cncc(n1)[*:1]
CCn1c(SCC(=O)NNC(=O)c2ccc(C)cc2)nnc1-c1ccncc1 Cc1ccc(cc1)[*:1] CCn1c(nnc1-c1ccncc1)SCC(=O)NNC(=O)[*:1]
CCn1c(SCC(=O)NNC(=O)c2ccc(C)cc2)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])SCC(=O)NNC(=O)c1ccc(C)cc1
CC(=O)c1sc(NC(=O)c2ccc(Cl)s2)nc1-c1ccccc1 Clc1ccc(s1)[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)[*:1]
CC(=O)c1sc(NC(=O)c2ccc(Cl)s2)nc1-c1ccccc1 CC(=O)[*:1] O=C(Nc1nc(-c2ccccc2)c(s1)[*:1])c1ccc(Cl)s1
CC(=O)c1sc(NC(=O)c2ccc(Cl)s2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1sc(nc1[*:1])NC(=O)c1ccc(Cl)s1
Cc1csc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)n1 Cc1csc(n1)[*:1] Cc1occc1C(=O)NC1CC[NH+](CC1)C[*:1]
Cc1csc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)n1 Cc1occc1[*:1] Cc1csc(C[NH+]2CCC(CC2)NC(=O)[*:1])n1
Cc1csc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)n1 Cc1csc(C[*:1])n1 Cc1occc1C(=O)NC1CC[NH+](CC1)[*:1]
COc1cccc(C(=O)NNC(=O)C2CCCCC2)c1O C1CCC(CC1)[*:1] COc1cccc(C(=O)NNC(=O)[*:1])c1O
CC[C@H](CSC)N(C)C(=O)NCc1nc(C(C)C)cs1 CC(C)[*:1] CC[C@H](CSC)N(C)C(=O)NCc1nc(cs1)[*:1]
CC[C@H](CSC)N(C)C(=O)NCc1nc(C(C)C)cs1 CSC[*:1] CC[C@H](N(C)C(=O)NCc1nc(cs1)C(C)C)[*:1]
NC(=O)COc1ccccc1/C=C1/SC(=O)NC1=O NC(=O)CO[*:1] O=C1NC(=O)/C(=C\c2ccccc2[*:1])S1
NC(=O)COc1ccccc1/C=C1/SC(=O)NC1=O NC(=O)C[*:1] O=C1NC(=O)/C(=C\c2ccccc2O[*:1])S1
NC(=O)COc1ccccc1/C=C1/SC(=O)NC1=O NC(=O)[*:1] O=C1NC(=O)/C(=C\c2ccccc2OC[*:1])S1
O=C(CNC(=O)N1CCC(OCc2ccccc2F)CC1)N1CCCCC1 Fc1ccccc1CO[*:1] O=C(CNC(=O)N1CCC(CC1)[*:1])N1CCCCC1
O=C(CNC(=O)N1CCC(OCc2ccccc2F)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(NC[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(CNC(=O)N1CCC(OCc2ccccc2F)CC1)N1CCCCC1 Fc1ccccc1[*:1] O=C(CNC(=O)N1CCC(CC1)OC[*:1])N1CCCCC1
O=C(CNC(=O)N1CCC(OCc2ccccc2F)CC1)N1CCCCC1 O=C(C[*:1])N1CCCCC1 O=C(N[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(CNC(=O)N1CCC(OCc2ccccc2F)CC1)N1CCCCC1 Fc1ccccc1C[*:1] O=C(CNC(=O)N1CCC(CC1)O[*:1])N1CCCCC1
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@@H]2CCc3c(F)cccc32)O1 CN(C)C(=O)[*:1] O=C(NC[C@@H]1CC[C@H](O1)[*:1])N[C@@H]1CCc2c(F)cccc21
Cc1ccccc1-n1c(N2CCOCC2)nnc1S(=O)(=O)Cc1noc(CC(C)C)n1 C1CN(CCO1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])S(=O)(=O)Cc1noc(CC(C)C)n1
Cc1ccccc1-n1c(N2CCOCC2)nnc1S(=O)(=O)Cc1noc(CC(C)C)n1 CC(C)C[*:1] Cc1ccccc1-n1c(nnc1S(=O)(=O)Cc1noc(n1)[*:1])N1CCOCC1
Cc1ccccc1-n1c(N2CCOCC2)nnc1S(=O)(=O)Cc1noc(CC(C)C)n1 Cc1ccccc1[*:1] CC(C)Cc1nc(CS(=O)(=O)c2nnc(N3CCOCC3)n2[*:1])no1
Cc1ccccc1-n1c(N2CCOCC2)nnc1S(=O)(=O)Cc1noc(CC(C)C)n1 CC(C)Cc1nc(no1)[*:1] Cc1ccccc1-n1c(nnc1S(=O)(=O)C[*:1])N1CCOCC1
Cc1ccccc1-n1c(N2CCOCC2)nnc1S(=O)(=O)Cc1noc(CC(C)C)n1 CC(C)Cc1nc(C[*:1])no1 Cc1ccccc1-n1c(nnc1S(=O)(=O)[*:1])N1CCOCC1
Cc1ccccc1-n1c(N2CCOCC2)nnc1S(=O)(=O)Cc1noc(CC(C)C)n1 CC(C)[*:1] Cc1ccccc1-n1c(nnc1S(=O)(=O)Cc1noc(C[*:1])n1)N1CCOCC1
COc1cccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CC[C@@H](C)C[C@H]5C4=O)cc3)CC2=O)c1 COc1cccc(c1)[*:1] C[C@@H]1CC[C@@H]2C(=O)N(C(=O)[C@@H]2C1)c1ccc(cc1)OC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCN(CC)C(=O)C1CCN(c2cncc(-n3ccnc3C)n2)CC1 CCN(CC)C(=O)[*:1] Cc1nccn1-c1cncc(n1)N1CCC(CC1)[*:1]
CCN(CC)C(=O)C1CCN(c2cncc(-n3ccnc3C)n2)CC1 Cc1nccn1[*:1] CCN(CC)C(=O)C1CCN(CC1)c1cncc(n1)[*:1]
N#Cc1ccc(CNC(=O)CCSc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(cc1)CNC(=O)CCS[*:1]
CNC(=O)[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 CNC(=O)[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)[*:1])c1ccc(F)cc1Cl
CNC(=O)[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CNC(=O)[C@H](NC(=O)c1ccc(F)cc1Cl)[*:1]
CNC(=O)[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 Fc1ccc(c(Cl)c1)[*:1] CNC(=O)[C@H](NC(=O)[*:1])c1ccc(F)c(F)c1
O=C(Nc1cccc(N2CCOCC2)c1)[C@@H]1COc2ccc(F)cc2C1 C1CN(CCO1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1COc2ccc(F)cc2C1
O=Cc1ccccc1OC(=O)c1ccco1 c1coc(c1)[*:1] O=Cc1ccccc1OC(=O)[*:1]
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@H]1/C=N/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1NC(=O)N(C(=O)[C@H]1C=N[*:1])c1ccc(F)cc1
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@H]1/C=N/c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C1NC(=O)N(C(=O)[C@H]1/C=N/c1ccc(Cl)cc1)[*:1]
Cc1cc(Cl)ccc1NC(=O)Cn1cnc2sc(C)c(C)c2c1=O Cc1cc(Cl)ccc1[*:1] Cc1sc2ncn(CC(=O)N[*:1])c(=O)c2c1C
CC1CCN(C(=O)C2CN(C(=O)c3cnccn3)C2)CC1 c1cnc(cn1)[*:1] CC1CCN(CC1)C(=O)C1CN(C1)C(=O)[*:1]
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc4oc(=O)ccc4c3)n2)c1 COc1cccc(c1)[*:1] N#C/C(=C\Nc1ccc2oc(=O)ccc2c1)c1nc(cs1)[*:1]
[NH3+]CCOCC(=O)Nc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] [NH3+]CCOCC(=O)Nc1cccc(c1)[*:1]
C#CCOc1ccc(NC(=O)N[C@H]2CCC[C@H]2C(=O)OC)cc1 C#CCO[*:1] COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(cc1)[*:1]
C#CCOc1ccc(NC(=O)N[C@H]2CCC[C@H]2C(=O)OC)cc1 COC(=O)[*:1] C#CCOc1ccc(cc1)NC(=O)N[C@H]1CCC[C@@H]1[*:1]
C#CCOc1ccc(NC(=O)N[C@H]2CCC[C@H]2C(=O)OC)cc1 C#CC[*:1] COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(cc1)O[*:1]
CSc1ccccc1NC(=O)NC[C@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1ccccc1NC(=O)NC[C@](C)(O)[*:1]
CCSc1nnc2c3c4c(sc3nc(C3CC3)n12)C[C@@H](C)CC4 CCS[*:1] C[C@H]1CCc2c(C1)sc1nc(C3CC3)n3c(nnc3c21)[*:1]
CCSc1nnc2c3c4c(sc3nc(C3CC3)n12)C[C@@H](C)CC4 C1CC1[*:1] CCSc1nnc2c3c4CC[C@H](C)Cc4sc3nc(n12)[*:1]
O=C([O-])[C@@]1(Cl)C=CC=C(c2ccccc2)[C@H]1Cl O=C([O-])[*:1] Cl[C@@H]1C(=CC=C[C@@]1(Cl)[*:1])c1ccccc1
C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](N[C@@H]1CCCN(C1=O)c1ccn(C)n1)c1ccc(cc1)[*:1]
C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(-n2ccnc2)cc1 Cn1ccc(n1)[*:1] C[C@H](N[C@@H]1CCCN(C1=O)[*:1])c1ccc(cc1)-n1ccnc1
CCOC(=O)c1cnn2c1nnc1c(=O)n(-c3ccc(OC)cc3)ccc12 COc1ccc(cc1)[*:1] CCOC(=O)c1cnn2c1nnc1c(=O)n(ccc12)[*:1]
CCOC(=O)c1cnn2c1nnc1c(=O)n(-c3ccc(OC)cc3)ccc12 CCOC(=O)[*:1] COc1ccc(cc1)-n1ccc2c(nnc3c(cnn32)[*:1])c1=O
CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C)noc1C CC[S@@](=O)[*:1] Cc1noc(C)c1C[NH2+][C@H]1CCCC[C@@H]1[*:1]
COc1cccc(/C(C)=C/C(=O)NC(C)(C)c2nc(C)cs2)c1 Cc1csc(n1)[*:1] COc1cccc(c1)/C(C)=C/C(=O)NC(C)(C)[*:1]
C[C@H](OC(=O)c1ccc([S@](C)=O)cc1)[C@H](C)c1ccc2ccccc2n1 C[S@](=O)[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])[C@H](C)c1ccc2ccccc2n1
O[C@H](CNc1cccc2ccccc12)COc1ccccc1 c1ccc(cc1)O[*:1] O[C@H](CNc1cccc2ccccc12)C[*:1]
O[C@H](CNc1cccc2ccccc12)COc1ccccc1 c1ccc(cc1)[*:1] O[C@H](CNc1cccc2ccccc12)CO[*:1]
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccccc1NC(=O)c1ccc(C)o1 CCNC(=O)[*:1] Cc1ccc(o1)C(=O)Nc1ccccc1C(=O)N1C[C@H]([NH3+])C[C@H]1[*:1]
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccccc1NC(=O)c1ccc(C)o1 Cc1ccc(o1)[*:1] CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccccc1NC(=O)[*:1]
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccccc1NC(=O)c1ccc(C)o1 Cc1ccc(o1)C(=O)N[*:1] CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccccc1[*:1]
COc1ccccc1CCNC(=O)c1cnn(C)c1-n1cccc1 COc1ccccc1[*:1] Cn1ncc(C(=O)NCC[*:1])c1-n1cccc1
COc1ccccc1CCNC(=O)c1cnn(C)c1-n1cccc1 c1ccn(c1)[*:1] COc1ccccc1CCNC(=O)c1cnn(C)c1[*:1]
CC(=O)N1CCC(CC[NH2+][C@H](c2ccccc2Cl)C(C)C)CC1 CC(C)[*:1] CC(=O)N1CCC(CC[NH2+][C@H](c2ccccc2Cl)[*:1])CC1
CC(=O)N1CCC(CC[NH2+][C@H](c2ccccc2Cl)C(C)C)CC1 Clc1ccccc1[*:1] CC(=O)N1CCC(CC[NH2+][C@H](C(C)C)[*:1])CC1
COc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1N(CC(=O)N1N=C(C)[*:1])Cc1ccccc1
COc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1[*:1])c1ccc(C)cc1
COc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(C)cc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)[C@H]1N(/N=C(\C)c2ccc(C)cc2)C(=O)CN1[*:1]
COc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(C)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1N(CC(=O)N1/N=C(\C)c1ccc(C)cc1)C[*:1]
CNC(=O)NCC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 CNC(=O)NC[*:1] O=C(N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
CNC(=O)NCC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] CNC(=O)NCC(=O)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
CNC(=O)NCC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 CNC(=O)N[*:1] O=C(C[*:1])N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F
CC[C@H](NC(=O)N1CCN(C(=O)c2ccncc2)CC1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)N1CCN(CC1)C(=O)c1ccncc1)[*:1]
CC[C@H](NC(=O)N1CCN(C(=O)c2ccncc2)CC1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)N1CCN(CC1)C(=O)[*:1])c1ccncc1
CN1CCO[C@H](c2noc([C@@](C)([NH3+])C3CC3)n2)C1 C1CC1[*:1] CN1CCO[C@@H](C1)c1noc(n1)[C@@](C)([NH3+])[*:1]
N#C/C(C(=O)CCSc1ccc(F)cc1)=C(/[O-])Nc1ccccn1 Fc1ccc(cc1)[*:1] N#C/C(C(=O)CCS[*:1])=C(/[O-])Nc1ccccn1
N#C/C(C(=O)CCSc1ccc(F)cc1)=C(/[O-])Nc1ccccn1 Fc1ccc(cc1)S[*:1] N#C/C(C(=O)CC[*:1])=C(/[O-])Nc1ccccn1
N#C/C(C(=O)CCSc1ccc(F)cc1)=C(/[O-])Nc1ccccn1 c1ccc(nc1)N[*:1] N#C/C(C(=O)CCSc1ccc(F)cc1)=C(/[O-])[*:1]
N#C/C(C(=O)CCSc1ccc(F)cc1)=C(/[O-])Nc1ccccn1 c1ccc(nc1)[*:1] N#C/C(C(=O)CCSc1ccc(F)cc1)=C(/[O-])N[*:1]
CCOc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccco1 CCO[*:1] COc1ccc2C(=O)/C(=C/c3cccc(c3OC(=O)c3ccco3)[*:1])Oc2c1
CCOc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccco1 O=C(O[*:1])c1ccco1 CCOc1cccc(/C=C2\Oc3cc(ccc3C2=O)OC)c1[*:1]
CCOc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1OC(=O)c1ccco1 c1coc(c1)[*:1] CCOc1cccc(/C=C2\Oc3cc(ccc3C2=O)OC)c1OC(=O)[*:1]
COc1ccc(CNC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)c1c([O-])c2sccc2n(C[*:1])c1=O
COc1ccc(CNC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)CNC(=O)c1c([O-])c2sccc2n(c1=O)[*:1]
COc1ccc(CNC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1c([O-])c2sccc2n(Cc2ccccc2)c1=O
COc1ccc(CNC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])c1c([O-])c2sccc2n(Cc2ccccc2)c1=O
CCCN(CC#N)Cn1ccc(=S)c2ccccc21 N#CC[*:1] CCCN(Cn1ccc(=S)c2ccccc21)[*:1]
CCCN(CC#N)Cn1ccc(=S)c2ccccc21 CCC[*:1] N#CCN(Cn1ccc(=S)c2ccccc21)[*:1]
O=C([O-])c1csc(CNc2ccc(-n3cccn3)nc2)c1 c1cnn(c1)[*:1] O=C([O-])c1csc(c1)CNc1ccc(nc1)[*:1]
O=C([O-])c1csc(CNc2ccc(-n3cccn3)nc2)c1 O=C([O-])[*:1] c1cnn(c1)-c1ccc(cn1)NCc1cc(cs1)[*:1]
CCC[NH2+][C@@H]1CCCCCC[C@H]1S[C@@H](C)CCO OCC[*:1] CCC[NH2+][C@@H]1CCCCCC[C@H]1S[C@@H](C)[*:1]
CCC[NH2+][C@@H]1CCCCCC[C@H]1S[C@@H](C)CCO C[C@@H](CCO)S[*:1] CCC[NH2+][C@@H]1CCCCCC[C@@H]1[*:1]
CCC[NH2+][C@@H]1CCCCCC[C@H]1S[C@@H](C)CCO CCC[*:1] C[C@@H](CCO)S[C@@H]1CCCCCC[C@H]1[NH2+][*:1]
CCC[NH2+][C@@H]1CCCCCC[C@H]1S[C@@H](C)CCO C[C@@H](CCO)[*:1] CCC[NH2+][C@@H]1CCCCCC[C@H]1S[*:1]
CC(C)C[C@H](C(=O)O[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)C[*:1] C[C@H](OC(=O)[C@H](N1C(=O)[C@H]2CC=CC[C@H]2C1=O)[*:1])C(=O)N1c2ccccc2C[C@H]1C
CC(C)C[C@H](C(=O)O[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)[*:1] C[C@H](OC(=O)[C@@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)N1c2ccccc2C[C@H]1C
O=C(NCc1ccccc1)N1CCC[C@@H]1C1CCCC1 C1CCC(C1)[*:1] O=C(NCc1ccccc1)N1CCC[C@H]1[*:1]
O=C(NCc1ccccc1)N1CCC[C@@H]1C1CCCC1 c1ccc(cc1)[*:1] O=C(NC[*:1])N1CCC[C@@H]1C1CCCC1
CCCN(CCC)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1 O=C(N[*:1])C1CC1 CCCN(CCC)C(=O)c1cc2ccccc2cc1[*:1]
CCCN(CCC)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1 CCC[*:1] CCCN(C(=O)c1cc2ccccc2cc1NC(=O)C1CC1)[*:1]
CCCN(CCC)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1 C1CC1[*:1] CCCN(CCC)C(=O)c1cc2ccccc2cc1NC(=O)[*:1]
O=C1COCC(=O)N1CC(=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C1COCC(=O)N1CC(=O)N(C1CC1)[*:1]
O=C1COCC(=O)N1CC(=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C1COCC(=O)N1CC(=O)N(C[*:1])C1CC1
O=C1COCC(=O)N1CC(=O)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C1COCC(=O)N1CC(=O)N(Cc1ccccc1)[*:1]
Cc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)C3CCC3)C2)c1 C1CC(C1)[*:1] Cc1cccc(c1)-c1ccccc1C[C@]1(CCN(C1)C(=O)[*:1])C(N)=O
Cc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)C3CCC3)C2)c1 NC(=O)[*:1] Cc1cccc(c1)-c1ccccc1C[C@]1(CCN(C1)C(=O)C1CCC1)[*:1]
Cc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)C3CCC3)C2)c1 Cc1cccc(c1)[*:1] NC(=O)[C@@]1(CCN(C1)C(=O)C1CCC1)Cc1ccccc1[*:1]
CC(C)CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 CC(C)[*:1] O=C(CSc1nc2ccccc2c(=O)n1C1CC1)NC(=O)NC[*:1]
CC(C)CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 C1CC1[*:1] CC(C)CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CC(C)CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 CC(C)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1C1CC1)NC(=O)N[*:1]
c1ccc2nc(OCC[C@H]3CCC[NH2+]C3)c(NC3CC3)nc2c1 C1CC1[*:1] c1ccc2nc(OCC[C@H]3CCC[NH2+]C3)c(nc2c1)N[*:1]
c1ccc2nc(OCC[C@H]3CCC[NH2+]C3)c(NC3CC3)nc2c1 C1CC1N[*:1] c1ccc2nc(c(nc2c1)OCC[C@H]1CCC[NH2+]C1)[*:1]
COc1ccc(OC)c2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(C#N)cc3)nc12 N#Cc1ccc(cc1)[*:1] COc1ccc(OC)c2sc(nc12)N(C[C@@H]1CCCO1)C(=O)[*:1]
CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)C(C)(C)O1 CS(=O)(=O)N[*:1] CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@H]2[*:1])C(C)(C)O1
C#CCNC(=O)c1cc(C2CC2)nc2ccccc12 C#CC[*:1] O=C(N[*:1])c1cc(nc2ccccc12)C1CC1
C#CCNC(=O)c1cc(C2CC2)nc2ccccc12 C1CC1[*:1] C#CCNC(=O)c1cc(nc2ccccc12)[*:1]
C#CCNC(=O)c1cc(C2CC2)nc2ccccc12 C#CCNC(=O)[*:1] c1ccc2c(cc(nc2c1)C1CC1)[*:1]
CC(C)c1nn(C)cc1C[NH+]1CCC(OC2CCCCC2)CC1 C1CCC(CC1)O[*:1] CC(C)c1nn(C)cc1C[NH+]1CCC(CC1)[*:1]
CC(C)c1nn(C)cc1C[NH+]1CCC(OC2CCCCC2)CC1 C1CCC(CC1)[*:1] CC(C)c1nn(C)cc1C[NH+]1CCC(CC1)O[*:1]
CC(C)c1nn(C)cc1C[NH+]1CCC(OC2CCCCC2)CC1 CC(C)[*:1] Cn1cc(C[NH+]2CCC(CC2)OC2CCCCC2)c(n1)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)c3c(C)noc3n2)cc1 Cc1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)c12)[*:1]
CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)NN)C2)cc1 NNC(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N1CCC[C@@H](C1)[*:1]
CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)NN)C2)cc1 CC(C)(C)[*:1] NNC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)n2N)cc1 Cc1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1N)[*:1])C(=O)Nc1nc(cs1)-c1ccccc1
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)n2N)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(S[C@@H](C)C(=O)Nc2nc(cs2)[*:1])n1N
CN(CC(=O)NN)S(=O)(=O)c1ccc(F)cc1 NNC(=O)C[*:1] CN(S(=O)(=O)c1ccc(F)cc1)[*:1]
CN(CC(=O)NN)S(=O)(=O)c1ccc(F)cc1 NNC(=O)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(F)cc1
CC(C)Oc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 CC(C)[*:1] O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 CC(C)O[*:1] O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 c1csc(c1)[*:1] CC(C)Oc1ccc(cc1)C(=O)NC[C@@H]([NH+]1CCCCCC1)[*:1]
CNC(=O)Cc1ccc(NC(=O)CCCNC(C)=O)cc1 CC(=O)N[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)CCC[*:1]
CNC(=O)Cc1ccc(NC(=O)CCCNC(C)=O)cc1 CC(=O)NCCC[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CNC(=O)Cc1ccc(NC(=O)CCCNC(C)=O)cc1 CC(=O)NCC[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)C[*:1]
CNC(=O)Cc1ccc(NC(=O)CCCNC(C)=O)cc1 CNC(=O)C[*:1] CC(=O)NCCCC(=O)Nc1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC(=O)CCCNC(C)=O)cc1 CNC(=O)[*:1] CC(=O)NCCCC(=O)Nc1ccc(cc1)C[*:1]
CNC(=O)Cc1ccc(NC(=O)CCCNC(C)=O)cc1 CC(=O)NC[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)CC[*:1]
CCOc1ccc(Br)cc1/C=c1/s/c(=C(/C#N)C(=O)NC)n(-c2ccccc2)c1=O CCOc1ccc(Br)cc1[*:1] CNC(=O)/C(C#N)=c1\sc(=C[*:1])c(=O)n1-c1ccccc1
CCOc1ccc(Br)cc1/C=c1/s/c(=C(/C#N)C(=O)NC)n(-c2ccccc2)c1=O CNC(=O)[*:1] CCOc1ccc(Br)cc1/C=c1/sc(=C(C#N)[*:1])n(-c2ccccc2)c1=O
CCOc1ccc(Br)cc1/C=c1/s/c(=C(/C#N)C(=O)NC)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] CCOc1ccc(Br)cc1/C=c1/s/c(=C(/C#N)C(=O)NC)n(c1=O)[*:1]
CCOc1ccc(Br)cc1/C=c1/s/c(=C(/C#N)C(=O)NC)n(-c2ccccc2)c1=O CCO[*:1] CNC(=O)/C(C#N)=c1\s/c(=C/c2cc(Br)ccc2[*:1])c(=O)n1-c1ccccc1
Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] Cc1cc(ccc1[N-]S(=O)(=O)[*:1])C(=O)N1CCC(C)CC1
Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 CC1CCN(CC1)C(=O)[*:1] Cc1cc(ccc1[N-]S(=O)(=O)c1cccc(C#N)c1)[*:1]
Cc1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1[N+](=O)[O-] Cc1ccc(cc1[N+](=O)[O-])[*:1] O=C(NCc1cc(-c2ccncc2)n(n1)C1CCCC1)[*:1]
Cc1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1[N+](=O)[O-] C1CCC(C1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NCc1cc(-c2ccncc2)n(n1)[*:1]
Cc1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1[N+](=O)[O-] c1cc(ccn1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NCc1cc(n(n1)C1CCCC1)[*:1]
Cc1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NCc1cc(-c2ccncc2)n(n1)C1CCCC1
CNC(=O)c1ccccc1NS(=O)(=O)c1cccc2ccccc12 CNC(=O)[*:1] O=S(=O)(Nc1ccccc1[*:1])c1cccc2ccccc12
COC(=O)[C@@H](C)Oc1ccc2c(-c3cc4ccc(OC)cc4oc3=O)cc(=O)oc2c1 COC(=O)[*:1] COc1ccc2cc(-c3cc(=O)oc4cc(ccc34)O[C@H](C)[*:1])c(=O)oc2c1
CCOc1ccc(NC(=O)c2nc(SCC)ncc2Br)cc1 CCS[*:1] CCOc1ccc(cc1)NC(=O)c1nc(ncc1Br)[*:1]
CCOc1ccc(NC(=O)c2nc(SCC)ncc2Br)cc1 CCO[*:1] CCSc1ncc(Br)c(n1)C(=O)Nc1ccc(cc1)[*:1]
Cn1c(C/[NH+]=C(/N)NC2CCCCCC2)nc2ccccc21 C1CCCC(CC1)[*:1] Cn1c(C/[NH+]=C(/N)N[*:1])nc2ccccc21
CCCNC(=O)CNC(=O)c1cnn(C(C)C)c1C CCC[*:1] Cc1c(cnn1C(C)C)C(=O)NCC(=O)N[*:1]
CCCNC(=O)CNC(=O)c1cnn(C(C)C)c1C CCCNC(=O)[*:1] Cc1c(cnn1C(C)C)C(=O)NC[*:1]
CCCNC(=O)CNC(=O)c1cnn(C(C)C)c1C CC(C)[*:1] CCCNC(=O)CNC(=O)c1cnn(c1C)[*:1]
CCc1noc(CC)c1CNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 CCc1noc(CC)c1[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1)C(=O)NC[*:1]
CC(C)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@]2(C)CCS(=O)(=O)C2)cc1 CC(C)[*:1] C[C@@H]([NH2+][C@@]1(C)CCS(=O)(=O)C1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(-c2nc([O-])c3cnn(-c4ccccc4)c3n2)n1 C[C@@H](Oc1ccccc1)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc([O-])c2cnn(-c3ccccc3)c2n1
Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(-c2nc([O-])c3cnn(-c4ccccc4)c3n2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(n1)-c1nc([O-])c2cnn(c2n1)[*:1]
Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(-c2nc([O-])c3cnn(-c4ccccc4)c3n2)n1 c1ccc(cc1)O[*:1] Cc1cc(NC(=O)[C@@H](C)[*:1])n(n1)-c1nc([O-])c2cnn(-c3ccccc3)c2n1
Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(-c2nc([O-])c3cnn(-c4ccccc4)c3n2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@@H](C)O[*:1])n(n1)-c1nc([O-])c2cnn(-c3ccccc3)c2n1
Cc1cnc([C@H](NC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)C2CC2)s1 Cc1cnc(s1)[*:1] O=C(N[C@H](C1CC1)[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
Cc1cnc([C@H](NC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H](NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)[*:1]
Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cc[nH]n2)c1 c1cc(n[nH]1)[*:1] Cc1cnn(c1)[C@@H](C)[C@H](C)[NH2+]C[*:1]
Cc1cc(C)cc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] Cc1cc(C)cc(c1)NC(=O)CCCNC(=O)[*:1]
Cc1cc(C)cc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c1 Cc1cc(C)cc(c1)[*:1] O=C(CCCNC(=O)c1ccc(F)cc1F)N[*:1]
CCc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CCc2ccccc2C1 CCc1ccccc1[*:1] O=C(NC[C@@]1(O)CCc2ccccc2C1)C(=O)N[*:1]
COc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)N[*:1]
COc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 O=C(C[*:1])N1CCOCC1 COc1ccc(cc1)NC(=O)CS(=O)(=O)c1cn(c2ccccc12)[*:1]
COc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 COc1ccc(cc1)NC(=O)[*:1] O=C(Cn1cc(c2ccccc21)S(=O)(=O)C[*:1])N1CCOCC1
COc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)NC(=O)CS(=O)(=O)c1cn(C[*:1])c2ccccc12
[NH3+][C@H](CC(=O)[O-])Cc1csc2ccccc12 O=C([O-])[*:1] [NH3+][C@@H](Cc1csc2ccccc12)C[*:1]
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1SC(N)=NC1=O Fc1ccc(cc1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)C[C@@H]1SC(N)=NC1=O
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1SC(N)=NC1=O Fc1ccc(cc1)C[*:1] C[NH+](C)CCN(C(=O)C[C@@H]1SC(N)=NC1=O)[*:1]
Cc1ccsc1CN(C)S(=O)(=O)c1cccc(F)c1C#N Cc1ccsc1C[*:1] CN(S(=O)(=O)c1cccc(F)c1C#N)[*:1]
Cc1ccsc1CN(C)S(=O)(=O)c1cccc(F)c1C#N Cc1ccsc1[*:1] CN(C[*:1])S(=O)(=O)c1cccc(F)c1C#N
O=C(NCc1ccnc(OC2CCC2)c1)c1n[nH]c2c1CCC2 C1CC(C1)O[*:1] O=C(NCc1ccnc(c1)[*:1])c1n[nH]c2CCCc12
O=C(NCc1ccnc(OC2CCC2)c1)c1n[nH]c2c1CCC2 C1CC(C1)[*:1] O=C(NCc1ccnc(c1)O[*:1])c1n[nH]c2CCCc12
NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(Cl)nc1 NC(=O)[*:1] O=C(COC(=O)c1ccc(Cl)nc1)Nc1sccc1[*:1]
NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] NC(=O)c1ccsc1NC(=O)COC(=O)[*:1]
COc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c(OC(C)C)c1 O=C1CCCCN1[*:1] COc1ccc(C[NH+]2CCC(CC2)[*:1])c(c1)OC(C)C
COc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c(OC(C)C)c1 CC(C)[*:1] COc1ccc(C[NH+]2CCC(CC2)N2CCCCC2=O)c(c1)O[*:1]
COc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c(OC(C)C)c1 CC(C)O[*:1] COc1ccc(C[NH+]2CCC(CC2)N2CCCCC2=O)c(c1)[*:1]
Cc1ccc2c(c1)C=C(C(=O)[O-])CO2 O=C([O-])[*:1] Cc1ccc2OCC(=Cc2c1)[*:1]
Cc1nnc([C@@H]2CCCN(C(=O)Nc3cccs3)C2)s1 Cc1nnc(s1)[*:1] O=C(Nc1cccs1)N1CCC[C@H](C1)[*:1]
Cc1nnc([C@@H]2CCCN(C(=O)Nc3cccs3)C2)s1 c1csc(c1)[*:1] Cc1nnc(s1)[C@@H]1CCCN(C1)C(=O)N[*:1]
CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1(C#N)CCC1 CN(C)S(=O)(=O)[*:1] CN(C(=O)c1ccc(Cl)c(c1)[*:1])C1(C#N)CCC1
CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1(C#N)CCC1 N#CC1(CCC1)[*:1] CN(C)S(=O)(=O)c1cc(ccc1Cl)C(=O)N(C)[*:1]
CNC(=S)N(C[C@@H]1CC=CCC1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CNC(=S)N(C[C@@H]1CC=CCC1)[*:1]
CNC(=S)N(C[C@@H]1CC=CCC1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CNC(=S)N(C[C@@H]1CC=CCC1)C[*:1]
COC(=O)c1ccc(CNC(=O)c2cccc3ccccc23)cc1 COC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cccc2ccccc12
C[C@H]1CC(=O)N(CCC[C@@H]2CCCO2)C[C@@H]1[NH3+] C1CO[C@@H](C1)[*:1] C[C@H]1CC(=O)N(CCC[*:1])C[C@@H]1[NH3+]
C[C@H]1C[C@@H](Nc2ccc(-n3cncn3)c(F)c2)CS1 c1ncn(n1)[*:1] C[C@H]1C[C@H](CS1)Nc1ccc(c(F)c1)[*:1]
CCOc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 O=C([O-])CC[*:1] CCOc1ccc(cc1)N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CCOc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)N1/C(=N/C(=O)CCC[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CCOc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 CCOc1ccc(cc1)[*:1] O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CCOc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 CCO[*:1] O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(cc1)[*:1]
CCOc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 O=C([O-])C[*:1] CCOc1ccc(cc1)N1/C(=N/C(=O)CC[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CCc1ccsc1CNC(=O)[C@@H](CC)c1c(C)noc1C CCc1ccsc1[*:1] CC[C@H](C(=O)NC[*:1])c1c(C)noc1C
CCc1ccsc1CNC(=O)[C@@H](CC)c1c(C)noc1C Cc1noc(C)c1[*:1] CCc1ccsc1CNC(=O)[C@@H](CC)[*:1]
N#C[C@@H](COC(=O)c1cccs1)Cc1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H](COC(=O)c1cccs1)C[*:1]
N#C[C@@H](COC(=O)c1cccs1)Cc1ccccc1 c1csc(c1)[*:1] N#C[C@@H](COC(=O)[*:1])Cc1ccccc1
O=C(CCC(F)(F)F)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 FC(F)(F)CC[*:1] O=C(Nc1ccc2[nH]c(nc2c1)[C@@H]1CCCO1)[*:1]
O=C(CCC(F)(F)F)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 FC(F)(F)[*:1] O=C(CC[*:1])Nc1ccc2[nH]c(nc2c1)[C@@H]1CCCO1
O=C(CCC(F)(F)F)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 C1CO[C@@H](C1)[*:1] O=C(CCC(F)(F)F)Nc1ccc2[nH]c(nc2c1)[*:1]
O=C(CCC(F)(F)F)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 FC(F)(F)C[*:1] O=C(C[*:1])Nc1ccc2[nH]c(nc2c1)[C@@H]1CCCO1
COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C#N)cc1 COC(=O)[*:1] CC1OC(N)=C([C@H](C=1C(=O)OC(C)(C)C)c1ccc(C#N)cc1)[*:1]
COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@H]1[*:1]
COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C#N)cc1 CC(C)(C)[*:1] COC(=O)C1=C(N)OC(C)=C(C(=O)O[*:1])[C@@H]1c1ccc(C#N)cc1
COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(C#N)cc1 CC(C)(C)OC(=O)[*:1] COC(=O)C1=C(N)OC(C)=C([C@@H]1c1ccc(C#N)cc1)[*:1]
Cc1cc(C)c2c(OCC(=O)N[C@H](C)c3ccc(C)c(F)c3)nn(C)c2n1 Cc1ccc(cc1F)[*:1] Cc1cc(C)c2c(nn(C)c2n1)OCC(=O)N[C@H](C)[*:1]
Cc1nc(Cc2nnc(S[C@H](C)C(=O)NCC(C)C)o2)cs1 CC(C)CNC(=O)[*:1] Cc1nc(cs1)Cc1nnc(o1)S[C@H](C)[*:1]
Cc1nc(Cc2nnc(S[C@H](C)C(=O)NCC(C)C)o2)cs1 CC(C)C[*:1] Cc1nc(cs1)Cc1nnc(o1)S[C@H](C)C(=O)N[*:1]
Cc1nc(Cc2nnc(S[C@H](C)C(=O)NCC(C)C)o2)cs1 Cc1nc(cs1)C[*:1] CC(C)CNC(=O)[C@@H](C)Sc1nnc(o1)[*:1]
Cc1nc(Cc2nnc(S[C@H](C)C(=O)NCC(C)C)o2)cs1 Cc1nc(cs1)[*:1] CC(C)CNC(=O)[C@@H](C)Sc1nnc(C[*:1])o1
Cc1nc(Cc2nnc(S[C@H](C)C(=O)NCC(C)C)o2)cs1 CC(C)[*:1] Cc1nc(cs1)Cc1nnc(o1)S[C@H](C)C(=O)NC[*:1]
O=C(Nc1cccc(F)c1F)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(F)c1F)N1CCC[C@@H]1[*:1]
O=C(Nc1cccc(F)c1F)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1F)N1CCC[C@H]1C[*:1]
O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)cc1F Clc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(F)cc1F
CN1C(=O)[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)N=C(c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CN1C(=O)[C@H](N=C(c2ccccc21)[*:1])NC(=O)NCc1ccc(Cl)c(Cl)c1
CN1C(=O)[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)N=C(c2ccccc2)c2ccccc21 Clc1ccc(cc1Cl)[*:1] CN1C(=O)[C@H](N=C(c2ccccc2)c2ccccc21)NC(=O)NC[*:1]
CN1C(=O)[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)N=C(c2ccccc2)c2ccccc21 Clc1ccc(cc1Cl)C[*:1] CN1C(=O)[C@H](N=C(c2ccccc2)c2ccccc21)NC(=O)N[*:1]
CCc1ccc([C@H](COC)NC(=O)Nc2cccc(C)c2Cl)o1 COC[*:1] CCc1ccc(o1)[C@H](NC(=O)Nc1cccc(C)c1Cl)[*:1]
CCc1ccc([C@H](COC)NC(=O)Nc2cccc(C)c2Cl)o1 CCc1ccc(o1)[*:1] COC[C@H](NC(=O)Nc1cccc(C)c1Cl)[*:1]
CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)O CC(C)(O)C[*:1] CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1]
CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)O CC(C)(O)CNC(=O)[*:1] CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)O CC(C)C(=O)N[*:1] CC(C)(O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[*:1]
CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)O CC(C)[*:1] CC(C)(O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[*:1]
CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)O CC(C)(O)[*:1] CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[*:1]
NC(=O)Cn1cc(NC(=O)/C=C/c2ccc(Br)s2)cn1 Brc1ccc(s1)[*:1] NC(=O)Cn1cc(cn1)NC(=O)C=C[*:1]
NC(=O)Cn1cc(NC(=O)/C=C/c2ccc(Br)s2)cn1 NC(=O)[*:1] O=C(/C=C/c1ccc(Br)s1)Nc1cnn(c1)C[*:1]
NC(=O)Cn1cc(NC(=O)/C=C/c2ccc(Br)s2)cn1 NC(=O)C[*:1] O=C(/C=C/c1ccc(Br)s1)Nc1cnn(c1)[*:1]
CSc1cc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1 FC(F)(F)[*:1] CSc1cc(C(=O)Nc2ccccc2[*:1])c2ccccc2n1
COc1cccc([C@@H]2CCCN2Cc2nc(N)nc(N(C)C)n2)c1 CN(C)[*:1] COc1cccc(c1)[C@@H]1CCCN1Cc1nc(N)nc(n1)[*:1]
COc1cccc([C@@H]2CCCN2Cc2nc(N)nc(N(C)C)n2)c1 COc1cccc(c1)[*:1] CN(C)c1nc(N)nc(CN2CCC[C@H]2[*:1])n1
O=C(CCOc1cccc(Cl)c1Cl)Nc1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] O=C(CCOc1cccc(Cl)c1Cl)Nc1ccc(c(F)c1)[*:1]
O=C(CCOc1cccc(Cl)c1Cl)Nc1ccc(-n2cncn2)c(F)c1 Clc1cccc(c1Cl)[*:1] O=C(CCO[*:1])Nc1ccc(c(F)c1)-n1cncn1
O=C(C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCCC1 O=[N+]([O-])[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(Cl)cc1[*:1])N1CCCC1
O=C(C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](CC1)[*:1]
O=C(C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](CC1)C[*:1]
COc1cccnc1NCc1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] COc1cccnc1NCc1cnc(s1)[*:1]
Cc1cc2oc(=O)cc(COc3cccc([N+](=O)[O-])c3C)c2cc1Cl O=[N+]([O-])[*:1] Cc1cc2oc(=O)cc(COc3cccc(c3C)[*:1])c2cc1Cl
CC(=O)Nc1cccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 FC(F)(F)[*:1] CC(=O)Nc1cccc(c1)NC(=O)Cn1nnc(n1)-c1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 CC(=O)N[*:1] O=C(Cn1nnc(n1)-c1cccc(c1)C(F)(F)F)Nc1cccc(c1)[*:1]
Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc4c(c3)OCO4)cc12 c1cc2OCOc2cc1[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)CCNC(=O)[*:1]
OCCCC[NH+](Cc1cnc2ncccn12)C1CC1 C1CC1[*:1] OCCCC[NH+](Cc1cnc2ncccn12)[*:1]
OCCCC[NH+](Cc1cnc2ncccn12)C1CC1 OCCC[*:1] c1cnc2ncc(C[NH+](C[*:1])C3CC3)n2c1
OCCCC[NH+](Cc1cnc2ncccn12)C1CC1 OCC[*:1] c1cnc2ncc(C[NH+](CC[*:1])C3CC3)n2c1
OCCCC[NH+](Cc1cnc2ncccn12)C1CC1 OCCCC[*:1] c1cnc2ncc(C[NH+](C3CC3)[*:1])n2c1
CNC(=O)CC1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 CNC(=O)C[*:1] O=C(c1cn(Cc2ccccc2)nn1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 c1ccc(cc1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)c1cn(C[*:1])nn1
CNC(=O)CC1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 CNC(=O)[*:1] O=C(c1cn(Cc2ccccc2)nn1)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 c1ccc(cc1)C[*:1] CNC(=O)CC1CCN(CC1)C(=O)c1cn(nn1)[*:1]
COc1ccc(N2C[C@@H](C(=O)Nn3cnc4c(cnn4-c4ccccc4)c3=O)CC2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nn1cnc2c(cnn2[*:1])c1=O
COc1ccc(N2C[C@@H](C(=O)Nn3cnc4c(cnn4-c4ccccc4)c3=O)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C(=O)NCC(=O)N/N=C/c1ccc(s1)[*:1]
COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 COc1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N/N=C/c1ccc(s1)[N+](=O)[O-]
COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 O=[N+]([O-])c1ccc(s1)[*:1] COc1ccc(cc1)C(=O)NCC(=O)NN=C[*:1]
N#Cc1ccc(CSC2COC2)cc1 C1OCC1[*:1] N#Cc1ccc(cc1)CS[*:1]
Cc1nnc2sc(-c3ccccc3NC(=O)CC34CC5CC(CC(C5)C3)C4)nn12 Cc1nnc2sc(nn12)[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1[*:1]
CN(C(=O)Nc1ccc(F)c(C(N)=O)c1)[C@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CN(C(=O)Nc1ccc(F)c(c1)C(N)=O)[C@H](c1ccc(F)cc1)[*:1]
CN(C(=O)Nc1ccc(F)c(C(N)=O)c1)[C@H](c1ccccc1)c1ccc(F)cc1 NC(=O)[*:1] CN(C(=O)Nc1ccc(F)c(c1)[*:1])[C@H](c1ccccc1)c1ccc(F)cc1
CN(C(=O)Nc1ccc(F)c(C(N)=O)c1)[C@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)Nc1ccc(F)c(c1)C(N)=O)[C@H](c1ccccc1)[*:1]
CC(C)c1ocnc1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CC(C)c1ocnc1CN(C)Cc1cc(ccc1Cl)[*:1]
CC(C)c1ocnc1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl CC(C)[*:1] CN(Cc1cc(ccc1Cl)[N+](=O)[O-])Cc1ncoc1[*:1]
CCCOC[C@@H](O)c1ccc(Cl)cc1F CCCO[*:1] O[C@H](C[*:1])c1ccc(Cl)cc1F
CCCOC[C@@H](O)c1ccc(Cl)cc1F CCCOC[*:1] O[C@@H](c1ccc(Cl)cc1F)[*:1]
CCCOC[C@@H](O)c1ccc(Cl)cc1F CCC[*:1] O[C@H](CO[*:1])c1ccc(Cl)cc1F
Cc1ccc(NC(=O)Cc2cccc(OCC#N)c2)c(N(C)C)[nH+]1 CN(C)[*:1] Cc1ccc(NC(=O)Cc2cccc(c2)OCC#N)c([nH+]1)[*:1]
Cc1ccc(NC(=O)Cc2cccc(OCC#N)c2)c(N(C)C)[nH+]1 N#CCO[*:1] Cc1ccc(NC(=O)Cc2cccc(c2)[*:1])c([nH+]1)N(C)C
Cc1ccc(NC(=O)Cc2cccc(OCC#N)c2)c(N(C)C)[nH+]1 N#CC[*:1] Cc1ccc(NC(=O)Cc2cccc(c2)O[*:1])c([nH+]1)N(C)C
CC1=C(C(=O)NCCc2sccc2C)[C@@H](c2[nH]c[nH+]c2C)NC(=O)N1 Cc1ccsc1[*:1] CC1NC(=O)N[C@@H](C=1C(=O)NCC[*:1])c1[nH]c[nH+]c1C
CC1=C(C(=O)NCCc2sccc2C)[C@@H](c2[nH]c[nH+]c2C)NC(=O)N1 Cc1ccsc1C[*:1] CC1NC(=O)N[C@@H](C=1C(=O)NC[*:1])c1[nH]c[nH+]c1C
CC1=C(C(=O)NCCc2sccc2C)[C@@H](c2[nH]c[nH+]c2C)NC(=O)N1 Cc1ccsc1CC[*:1] CC1NC(=O)N[C@@H](C=1C(=O)N[*:1])c1[nH]c[nH+]c1C
Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)NC(C)C CC(C)NC(=O)C[*:1] Cc1[nH]n(-c2nc(cs2)-c2ccc(F)cc2)c(=O)c1C[*:1]
Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)NC(C)C Fc1ccc(cc1)[*:1] Cc1[nH]n(-c2nc(cs2)[*:1])c(=O)c1CCC(=O)NC(C)C
Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)NC(C)C CC(C)[*:1] Cc1[nH]n(-c2nc(cs2)-c2ccc(F)cc2)c(=O)c1CCC(=O)N[*:1]
Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1[nH]n(-c2nc(cs2)-c2ccc(F)cc2)c(=O)c1CC[*:1]
Cc1[nH]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)NC(C)C CC(C)NC(=O)CC[*:1] Cc1[nH]n(-c2nc(cs2)-c2ccc(F)cc2)c(=O)c1[*:1]
CC(C)[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)NC1CCCCC1 CC(C)[*:1] Nn1c(nnc1-c1cccs1)S[C@H](C(=O)NC1CCCCC1)[*:1]
CC(C)[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)NC1CCCCC1 c1csc(c1)[*:1] CC(C)[C@H](Sc1nnc(n1N)[*:1])C(=O)NC1CCCCC1
CC(C)[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC(C)[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)N[*:1]
O=C1S[C@@H](Nc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1S[C@@H](Nc2cccc(c2)[N+](=O)[O-])C(=O)N1[*:1]
O=C1S[C@@H](Nc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 O=[N+]([O-])[*:1] O=C1S[C@@H](Nc2cccc(c2)[*:1])C(=O)N1c1ccccc1
CCCn1cnc2sc(C)c(C)c2c1=O CCC[*:1] Cc1sc2ncn(c(=O)c2c1C)[*:1]
COc1cc(C(=O)Nc2nc(C(F)(F)F)cs2)ccc1Cl FC(F)(F)[*:1] COc1cc(ccc1Cl)C(=O)Nc1nc(cs1)[*:1]
CCc1cccc(C)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2cccnc2)CC1 c1cncc(c1)[*:1] CCc1cccc(C)c1NC(=O)[C@@H](C)N1CC[NH+](CC1)C[*:1]
CCc1cccc(C)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2cccnc2)CC1 c1cncc(c1)C[*:1] CCc1cccc(C)c1NC(=O)[C@@H](C)N1CC[NH+](CC1)[*:1]
CCc1cccc(C)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2cccnc2)CC1 CCc1cccc(C)c1[*:1] C[C@H](C(=O)N[*:1])N1CC[NH+](CC1)Cc1cccnc1
CC[C@H](NC(=O)c1c(C)nn(C)c1C)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@H](NC(=O)c1c(C)nn(C)c1C)c1nc(cs1)[*:1]
Cc1occc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] Cc1occc1C(=O)N/N=C/c1ccc(o1)-c1ccc(cc1)[*:1]
Cc1occc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 Cc1occc1[*:1] O=C(N/N=C/c1ccc(o1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
CC[C@@H](C(=O)Nc1c(C)cnn1Cc1cccc(Cl)c1)n1cccn1 c1cnn(c1)[*:1] CC[C@@H](C(=O)Nc1c(C)cnn1Cc1cccc(Cl)c1)[*:1]
CC[C@@H](C(=O)Nc1c(C)cnn1Cc1cccc(Cl)c1)n1cccn1 Clc1cccc(c1)[*:1] CC[C@@H](C(=O)Nc1c(C)cnn1C[*:1])n1cccn1
CC[C@@H](C(=O)Nc1c(C)cnn1Cc1cccc(Cl)c1)n1cccn1 Clc1cccc(c1)C[*:1] CC[C@@H](C(=O)Nc1c(C)cnn1[*:1])n1cccn1
O=C(NC1CCCC1)c1c([O-])nnc(-c2ccccc2)c1-c1ccccc1 O=C(NC1CCCC1)[*:1] [O-]c1nnc(-c2ccccc2)c(-c2ccccc2)c1[*:1]
O=C(NC1CCCC1)c1c([O-])nnc(-c2ccccc2)c1-c1ccccc1 C1CCC(C1)[*:1] O=C(N[*:1])c1c([O-])nnc(-c2ccccc2)c1-c1ccccc1
O=C(NC1CCCC1)c1c([O-])nnc(-c2ccccc2)c1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CCCC1)c1c([O-])nnc(-c2ccccc2)c1[*:1]
O=C(NC1CCCC1)c1c([O-])nnc(-c2ccccc2)c1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CCCC1)c1c([O-])nnc(c1-c1ccccc1)[*:1]
O=C(N[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(N[C@H]1CCCc2ccccc21)c1ccc(s1)[*:1]
Cc1c(C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)sc2ccc(F)cc12 c1ccc(cc1)[*:1] Cc1c(sc2ccc(F)cc12)C(=O)[C@@H](C#N)c1nnc(n1C)[*:1]
CCOC(=O)C1=NN(c2ccc(Cl)cc2F)[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CCOC(=O)C1C[C@H](N(N=1)c1ccc(Cl)cc1F)[*:1]
Cc1csc([C@H](C)Nc2cc(C)c(N)c(C(=O)[O-])c2)n1 Cc1csc(n1)[*:1] Cc1cc(cc(C(=O)[O-])c1N)N[C@@H](C)[*:1]
Cc1csc([C@H](C)Nc2cc(C)c(N)c(C(=O)[O-])c2)n1 O=C([O-])[*:1] Cc1csc(n1)[C@H](C)Nc1cc(C)c(N)c(c1)[*:1]
CC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC(C)(C)NC(=O)N1CCC(CC1)CNS(=O)(=O)C[*:1]
CC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 CC(C)(C)[*:1] O=C(N[*:1])N1CCC(CC1)CNS(=O)(=O)Cc1ccccc1Cl
CC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 Clc1ccccc1C[*:1] CC(C)(C)NC(=O)N1CCC(CC1)CNS(=O)(=O)[*:1]
Cc1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)OC(C)C)c1C CC(C)[*:1] Cc1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)O[*:1])c1C
Cc1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)OC(C)C)c1C CC(C)OC(=O)[*:1] Cc1cccc(NC(=O)C(=O)NC[C@H](C)[*:1])c1C
Cc1c(C)n(-c2ccc(Br)cn2)c2nc[n+](Cc3ccncc3)c(N)c12 c1cc(ccn1)[*:1] Cc1c(C)n(-c2ccc(Br)cn2)c2nc[n+](C[*:1])c(N)c12
Cc1c(C)n(-c2ccc(Br)cn2)c2nc[n+](Cc3ccncc3)c(N)c12 c1cc(ccn1)C[*:1] Cc1c(C)n(-c2ccc(Br)cn2)c2nc[n+](c(N)c12)[*:1]
Cc1c(C)n(-c2ccc(Br)cn2)c2nc[n+](Cc3ccncc3)c(N)c12 Brc1ccc(nc1)[*:1] Cc1c(C)n(c2nc[n+](Cc3ccncc3)c(N)c12)[*:1]
CNS(=O)(=O)c1cc(C(=O)NCc2cccs2)c(C)o1 c1csc(c1)[*:1] CNS(=O)(=O)c1cc(C(=O)NC[*:1])c(C)o1
CNS(=O)(=O)c1cc(C(=O)NCc2cccs2)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)NCc1cccs1)[*:1]
CNS(=O)(=O)c1cc(C(=O)NCc2cccs2)c(C)o1 c1csc(c1)C[*:1] CNS(=O)(=O)c1cc(C(=O)N[*:1])c(C)o1
CC(C)CCn1cccc1C[NH+]1CCCN(C(N)=O)CC1 CC(C)C[*:1] NC(=O)N1CCC[NH+](CC1)Cc1cccn1C[*:1]
CC(C)CCn1cccc1C[NH+]1CCCN(C(N)=O)CC1 CC(C)CC[*:1] NC(=O)N1CCC[NH+](CC1)Cc1cccn1[*:1]
CC(C)CCn1cccc1C[NH+]1CCCN(C(N)=O)CC1 CC(C)[*:1] NC(=O)N1CCC[NH+](CC1)Cc1cccn1CC[*:1]
O=C(NC[C@@H](O)C1CCCCC1)c1ccc2c(c1)OCO2 C1CCC(CC1)[*:1] O=C(NC[C@@H](O)[*:1])c1ccc2OCOc2c1
CCCC(=O)N(c1nnc(-c2ccc(C)cc2)s1)C(C)C Cc1ccc(cc1)[*:1] CCCC(=O)N(c1nnc(s1)[*:1])C(C)C
CCCC(=O)N(c1nnc(-c2ccc(C)cc2)s1)C(C)C CC(C)[*:1] CCCC(=O)N(c1nnc(s1)-c1ccc(C)cc1)[*:1]
CCCC(=O)N(c1nnc(-c2ccc(C)cc2)s1)C(C)C CCC[*:1] Cc1ccc(cc1)-c1nnc(s1)N(C(=O)[*:1])C(C)C
C[C@@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] C[C@@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)c1ccc(cc1)[*:1]
COCCOc1ccccc1C(=O)N1CC[C@](O)(C(F)(F)F)C1 COCC[*:1] O=C(c1ccccc1O[*:1])N1CC[C@@](O)(C1)C(F)(F)F
COCCOc1ccccc1C(=O)N1CC[C@](O)(C(F)(F)F)C1 COC[*:1] O=C(c1ccccc1OC[*:1])N1CC[C@@](O)(C1)C(F)(F)F
COCCOc1ccccc1C(=O)N1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] COCCOc1ccccc1C(=O)N1CC[C@](O)(C1)[*:1]
COCCOc1ccccc1C(=O)N1CC[C@](O)(C(F)(F)F)C1 COCCO[*:1] O=C(c1ccccc1[*:1])N1CC[C@@](O)(C1)C(F)(F)F
Cc1ccc(CCC(=O)NCCc2nc3ccc(F)cc3n2C)cc1 Cc1ccc(cc1)[*:1] Cn1c(CCNC(=O)CC[*:1])nc2ccc(F)cc21
Cc1ccc(CCC(=O)NCCc2nc3ccc(F)cc3n2C)cc1 Cc1ccc(cc1)C[*:1] Cn1c(CCNC(=O)C[*:1])nc2ccc(F)cc21
N#Cc1ccccc1COc1cccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)c1 N#Cc1ccccc1CO[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)c1ccc(Br)cn1
N#Cc1ccccc1COc1cccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)c1 N#Cc1ccccc1[*:1] O=C(c1cccc(c1)OC[*:1])N1CCN(CC1)c1ccc(Br)cn1
N#Cc1ccccc1COc1cccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)c1 N#Cc1ccccc1C[*:1] O=C(c1cccc(c1)O[*:1])N1CCN(CC1)c1ccc(Br)cn1
N#Cc1ccccc1COc1cccc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)c1 Brc1ccc(nc1)[*:1] N#Cc1ccccc1COc1cccc(c1)C(=O)N1CCN(CC1)[*:1]
Cc1cc2oc(=O)cc(CN(C)CC(=O)OC(C)(C)C)c2cc1Cl CC(C)(C)OC(=O)[*:1] Cc1cc2oc(=O)cc(CN(C)C[*:1])c2cc1Cl
Cc1cc2oc(=O)cc(CN(C)CC(=O)OC(C)(C)C)c2cc1Cl CC(C)(C)OC(=O)C[*:1] Cc1cc2oc(=O)cc(CN(C)[*:1])c2cc1Cl
Cc1cc2oc(=O)cc(CN(C)CC(=O)OC(C)(C)C)c2cc1Cl CC(C)(C)[*:1] Cc1cc2oc(=O)cc(CN(C)CC(=O)O[*:1])c2cc1Cl
CC(C)c1ccc(S(=O)(=O)N(Cc2ccsc2)CC(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N(Cc1ccsc1)C[*:1]
CC(C)c1ccc(S(=O)(=O)N(Cc2ccsc2)CC(F)(F)F)cc1 c1cc(cs1)C[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N(CC(F)(F)F)[*:1]
CC(C)c1ccc(S(=O)(=O)N(Cc2ccsc2)CC(F)(F)F)cc1 CC(C)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N(Cc1ccsc1)CC(F)(F)F
CC(C)c1ccc(S(=O)(=O)N(Cc2ccsc2)CC(F)(F)F)cc1 FC(F)(F)C[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N(Cc1ccsc1)[*:1]
CC(C)c1ccc(S(=O)(=O)N(Cc2ccsc2)CC(F)(F)F)cc1 c1cc(cs1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N(CC(F)(F)F)C[*:1]
CCCC[C@H](CC)C(=O)N[C@@H]1CCSC1=O CCCC[*:1] CC[C@H](C(=O)N[C@@H]1CCSC1=O)[*:1]
CCCC[C@H](CC)C(=O)N[C@@H]1CCSC1=O CCC[*:1] CC[C@@H](C[*:1])C(=O)N[C@@H]1CCSC1=O
CC1CCN(C(=O)NCC2(c3ccc(Cl)cc3)CC2)CC1 Clc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)NCC1(CC1)[*:1]
COc1cccc(CC(=O)N(C)CC(=O)Nc2cccc3ccccc23)c1 COc1cccc(c1)C[*:1] CN(CC(=O)Nc1cccc2ccccc12)C(=O)[*:1]
COc1cccc(CC(=O)N(C)CC(=O)Nc2cccc3ccccc23)c1 COc1cccc(c1)[*:1] CN(CC(=O)Nc1cccc2ccccc12)C(=O)C[*:1]
CC(C)C(=O)N(C)Cc1ccc(C(=O)O[C@H](C)c2nccs2)cc1 CC(C)[*:1] C[C@@H](OC(=O)c1ccc(cc1)CN(C)C(=O)[*:1])c1nccs1
CC(C)C(=O)N(C)Cc1ccc(C(=O)O[C@H](C)c2nccs2)cc1 CC(C)C(=O)N(C)C[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])c1nccs1
CC(C)C(=O)N(C)Cc1ccc(C(=O)O[C@H](C)c2nccs2)cc1 CC(C)C(=O)N(C)[*:1] C[C@@H](OC(=O)c1ccc(cc1)C[*:1])c1nccs1
CC(C)C(=O)N(C)Cc1ccc(C(=O)O[C@H](C)c2nccs2)cc1 c1csc(n1)[*:1] CC(C)C(=O)N(C)Cc1ccc(cc1)C(=O)O[C@H](C)[*:1]
O=C([C@@H]1CCCN(c2nc3c(F)cccc3s2)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C([C@@H]1CCCN(C1)c1nc2c(F)cccc2s1)N1CCN(CC1)c1ccc(cn1)[*:1]
O=C([C@@H]1CCCN(c2nc3c(F)cccc3s2)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)c1ccc(nc1)[*:1] O=C([C@@H]1CCCN(C1)c1nc2c(F)cccc2s1)N1CCN(CC1)[*:1]
O=C([C@@H]1CCCN(c2nc3c(F)cccc3s2)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 Fc1cccc2sc(nc12)[*:1] O=C([C@@H]1CCCN(C1)[*:1])N1CCN(CC1)c1ccc(cn1)C(F)(F)F
CO[C@@H](CNC(=O)c1ccc(Br)o1)c1ccc(F)cc1 Brc1ccc(o1)[*:1] CO[C@@H](CNC(=O)[*:1])c1ccc(F)cc1
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCCCC[C@H]1c1cccn1C Cn1cccc1[*:1] Cc1nc2nc(nn2c(C)c1CCC(=O)N1CCCCC[C@@H]1[*:1])C(F)(F)F
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCCCC[C@H]1c1cccn1C FC(F)(F)[*:1] Cc1nc2nc(nn2c(C)c1CCC(=O)N1CCCCC[C@H]1c1cccn1C)[*:1]
O=C(NCCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CCN(CCNC(=O)[*:1])CC1
O=C(NCCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 O=[N+]([O-])[*:1] O=C(NCCN1CCN(CC1)C(=O)c1cccc(c1)[*:1])c1ccc(F)cc1
O=C(NCCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])c1ccc(F)cc1
CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CC(C)(C)[NH2+]C2(C)C CCOC(=O)[*:1] CC1(C)Cc2c(sc(NC(=O)/C=C/c3cccs3)c2[*:1])C(C)(C)[NH2+]1
CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CC(C)(C)[NH2+]C2(C)C c1csc(c1)[*:1] CCOC(=O)c1c(NC(=O)C=C[*:1])sc2c1CC(C)(C)[NH2+]C2(C)C
CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CC(C)(C)[NH2+]C2(C)C C(=C[*:1])c1cccs1 CCOC(=O)c1c(NC(=O)[*:1])sc2c1CC(C)(C)[NH2+]C2(C)C
COc1ccc(C2=CCN(C(=O)Nc3cccnc3Cl)CC2)cc1 Clc1ncccc1[*:1] COc1ccc(cc1)C1=CCN(CC1)C(=O)N[*:1]
COc1ccc(C2=CCN(C(=O)Nc3cccnc3Cl)CC2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccnc1Cl)N1CC=C(CC1)[*:1]
CC(C)(C)CCOC(=O)c1csc(-c2cnccn2)n1 CC(C)(C)CC[*:1] O=C(O[*:1])c1csc(n1)-c1cnccn1
CC(C)(C)CCOC(=O)c1csc(-c2cnccn2)n1 CC(C)(C)C[*:1] O=C(OC[*:1])c1csc(n1)-c1cnccn1
CC(C)(C)CCOC(=O)c1csc(-c2cnccn2)n1 CC(C)(C)[*:1] O=C(OCC[*:1])c1csc(n1)-c1cnccn1
CC(C)(C)CCOC(=O)c1csc(-c2cnccn2)n1 c1cnc(cn1)[*:1] CC(C)(C)CCOC(=O)c1csc(n1)[*:1]
CC[C@@]([NH3+])(COC)Cc1nc2ccccc2n1C COC[*:1] CC[C@@]([NH3+])(Cc1nc2ccccc2n1C)[*:1]
CC[C@H](C)Nc1nc2ccc(F)cn2n1 CC[C@H](C)[*:1] Fc1ccc2nc(nn2c1)N[*:1]
CC[C@H](C)Nc1nc2ccc(F)cn2n1 CC[C@H](C)N[*:1] Fc1ccc2nc(nn2c1)[*:1]
Cc1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N[C@@H]1CCN(C1=O)c1ccccc1)N[*:1]
Cc1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)N[C@@H]1CCN(C1=O)[*:1]
Cc1ccccc1CS(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)cccc2C)C1 Cc1cccc(C)c1[*:1] Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccccc1CS(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)cccc2C)C1 Cc1ccccc1C[*:1] Cc1cccc(C)c1NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccccc1CS(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)cccc2C)C1 Cc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)CC2CCCC2)cc1 C=CCNC(=O)[*:1] C[C@@H](CC1CCCC1)C(=O)Nc1ccc(cc1)[*:1]
C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)CC2CCCC2)cc1 C1CCC(C1)[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)[C@@H](C)C[*:1]
C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)CC2CCCC2)cc1 C1CCC(C1)C[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)[C@@H](C)[*:1]
C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)CC2CCCC2)cc1 C=CC[*:1] C[C@@H](CC1CCCC1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1cnn([C@@H](C)[C@@H](C)[NH2+][C@@H](C)c2nnc(-c3cccs3)o2)c1 Cc1cnn(c1)[*:1] C[C@H]([NH2+][C@H](C)[C@H](C)[*:1])c1nnc(o1)-c1cccs1
Cc1cnn([C@@H](C)[C@@H](C)[NH2+][C@@H](C)c2nnc(-c3cccs3)o2)c1 c1csc(c1)[*:1] Cc1cnn(c1)[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1nnc(o1)[*:1]
O=C(COc1ccccc1F)NCc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(COc1ccccc1F)NCc1ccccc1[*:1]
O=C(COc1ccccc1F)NCc1ccccc1C(F)(F)F Fc1ccccc1[*:1] O=C(CO[*:1])NCc1ccccc1C(F)(F)F
C[NH+](C)[C@@H]1CCCN(Cc2cc(C(N)=O)cs2)C1 NC(=O)[*:1] C[NH+](C)[C@@H]1CCCN(Cc2cc(cs2)[*:1])C1
Cc1cc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1cc(ccc1Cl)OCC(=O)NNC(=O)[*:1]
CCCCCC(C)(C)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)C[*:1] CCCCCC(C)(C)C(=O)N1CC[C@H](C1)[*:1]
CCCCCC(C)(C)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 CCCC[*:1] Cn1cc(cn1)C[C@H]1CCN(C1)C(=O)C(C)(C)C[*:1]
CCCCCC(C)(C)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 CCCCC[*:1] Cn1cc(cn1)C[C@H]1CCN(C1)C(=O)C(C)(C)[*:1]
CCCCCC(C)(C)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)[*:1] CCCCCC(C)(C)C(=O)N1CC[C@@H](C1)C[*:1]
CCCCCC(C)(C)C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 CCC[*:1] Cn1cc(cn1)C[C@H]1CCN(C1)C(=O)C(C)(C)CC[*:1]
CC(=O)C1=CC(C(=O)N2CCN(c3cnccn3)CC2)=NC1 CC(=O)[*:1] O=C(C1C=C(CN=1)[*:1])N1CCN(CC1)c1cnccn1
CC(=O)C1=CC(C(=O)N2CCN(c3cnccn3)CC2)=NC1 c1cnc(cn1)[*:1] CC(=O)C1=CC(=NC1)C(=O)N1CCN(CC1)[*:1]
O=C(COC(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)c1ccccc1 Clc1ccc(cc1Cl)[*:1] O=C(COC(=O)[*:1])NNC(=O)c1ccccc1
O=C(COC(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(COC(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)[*:1]
CC[C@@H](COC)Nn1cccc1 COC[*:1] CC[C@@H](Nn1cccc1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)CC(C)(C)C C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)CC(C)(C)C
CC(C)N(C[C@H]1CCCCO1)C(=O)CC(C)(C)C CC(C)(C)[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)C[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)CC(C)(C)C CC(C)[*:1] CC(C)(C)CC(=O)N(C[C@H]1CCCCO1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)CC(C)(C)C CC(C)(C)C[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)[*:1]
CCNC(=S)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CCNC(=S)N1CCC(O)(CC1)c1cccc(c1)[*:1]
O=C1NC(=O)[C@@H](CCC(=O)N(Cc2ccc(F)cc2)C2CC2)N1 C1CC1[*:1] O=C1NC(=O)[C@@H](CCC(=O)N(Cc2ccc(F)cc2)[*:1])N1
O=C1NC(=O)[C@@H](CCC(=O)N(Cc2ccc(F)cc2)C2CC2)N1 Fc1ccc(cc1)[*:1] O=C1NC(=O)[C@@H](CCC(=O)N(C[*:1])C2CC2)N1
Cc1ccccc1Cn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccccc3Cl)nnc12 Cc1ccccc1C[*:1] Cn1c(=O)c2c(n(C)c1=O)n1c(nnc1n2[*:1])-c1ccccc1Cl
Cc1ccccc1Cn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccccc3Cl)nnc12 Clc1ccccc1[*:1] Cc1ccccc1Cn1c2c(=O)n(C)c(=O)n(C)c2n2c(nnc12)[*:1]
Cc1ccccc1Cn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccccc3Cl)nnc12 Cc1ccccc1[*:1] Cn1c(=O)c2c(n(C)c1=O)n1c(nnc1n2C[*:1])-c1ccccc1Cl
CCOc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2N=CNC2=N3)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H]1Oc2ccccc2C2N=C3NC=NN3[C@@H](C=21)[*:1]
CCOc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2N=CNC2=N3)cc1 CCOc1ccc(cc1)[*:1] C1=NN2C(=NC3=C([C@@H]2c2ccccc2)[C@@H](Oc2ccccc23)[*:1])N1
CCOc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2N=CNC2=N3)cc1 CCO[*:1] C1=NN2C(=NC3=C([C@@H](Oc4ccccc43)c3ccc(cc3)[*:1])[C@@H]2c2ccccc2)N1
CC[C@@H](C)C(=O)NCC(=O)N[C@H](C)C(C)C CC(C)[*:1] CC[C@@H](C)C(=O)NCC(=O)N[C@H](C)[*:1]
CC[C@@H](C)C(=O)NCC(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CC[C@@H](C)C(=O)NCC(=O)N[*:1]
CC[C@@H](C)C(=O)NCC(=O)N[C@H](C)C(C)C CC[C@@H](C)[*:1] CC(C)[C@@H](C)NC(=O)CNC(=O)[*:1]
Cn1cnc2cc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 O=[N+]([O-])[*:1] Cn1cnc2cc(ccc21)OS(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)O[N-]S[C@@H]2CCOc3ccc(C)cc32)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2OCC[C@@H](S[N-]OC(=O)[*:1])c2c1
COC(=O)[C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)c2ccccc21 COC(=O)[*:1] Cn1ccc(cc1=O)C(=O)N1CC[C@@H](c2ccccc21)[*:1]
COC(=O)[C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)c2ccccc21 Cn1ccc(cc1=O)[*:1] COC(=O)[C@H]1CCN(C(=O)[*:1])c2ccccc21
CC(=O)NCCCCCC(=O)N1CCC[NH+](C(C)C)CC1 CC(=O)NC[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)CCCC[*:1]
CC(=O)NCCCCCC(=O)N1CCC[NH+](C(C)C)CC1 CC(C)[*:1] CC(=O)NCCCCCC(=O)N1CCC[NH+](CC1)[*:1]
CC(=O)NCCCCCC(=O)N1CCC[NH+](C(C)C)CC1 CC(=O)NCCC[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)CC[*:1]
CC(=O)NCCCCCC(=O)N1CCC[NH+](C(C)C)CC1 CC(=O)N[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)CCCCC[*:1]
CC(=O)NCCCCCC(=O)N1CCC[NH+](C(C)C)CC1 CC(=O)NCC[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)CCC[*:1]
O=C(CSCC(F)(F)F)NC[C@H]1C[C@@]12CCc1ccccc12 FC(F)(F)CSC[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
O=C(CSCC(F)(F)F)NC[C@H]1C[C@@]12CCc1ccccc12 FC(F)(F)[*:1] O=C(CSC[*:1])NC[C@H]1C[C@@]12CCc1ccccc12
O=C(CSCC(F)(F)F)NC[C@H]1C[C@@]12CCc1ccccc12 FC(F)(F)CS[*:1] O=C(C[*:1])NC[C@H]1C[C@@]12CCc1ccccc12
O=C(CSCC(F)(F)F)NC[C@H]1C[C@@]12CCc1ccccc12 FC(F)(F)C[*:1] O=C(CS[*:1])NC[C@H]1C[C@@]12CCc1ccccc12
COc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1OC COc1ccc(cc1OC)[*:1] C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)Cn3c(cc4occc43)C(=O)N2[*:1])[C@@H]1C
CC1(C)Cc2c(C#N)c(N3CC[NH+](CC(=O)NCc4ccco4)CC3)nc(-c3ccco3)c2CO1 c1coc(c1)[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)[*:1])N1CC[NH+](CC1)CC(=O)NCc1ccco1
CC1(C)Cc2c(C#N)c(N3CC[NH+](CC(=O)NCc4ccco4)CC3)nc(-c3ccco3)c2CO1 c1coc(c1)[*:1] CC1(C)Cc2c(C#N)c(nc(-c3ccco3)c2CO1)N1CC[NH+](CC1)CC(=O)NC[*:1]
CC1(C)Cc2c(C#N)c(N3CC[NH+](CC(=O)NCc4ccco4)CC3)nc(-c3ccco3)c2CO1 O=C(C[*:1])NCc1ccco1 CC1(C)Cc2c(C#N)c(nc(-c3ccco3)c2CO1)N1CC[NH+](CC1)[*:1]
CC1(C)Cc2c(C#N)c(N3CC[NH+](CC(=O)NCc4ccco4)CC3)nc(-c3ccco3)c2CO1 O=C(NCc1ccco1)[*:1] CC1(C)Cc2c(C#N)c(nc(-c3ccco3)c2CO1)N1CC[NH+](CC1)C[*:1]
CC1(C)Cc2c(C#N)c(N3CC[NH+](CC(=O)NCc4ccco4)CC3)nc(-c3ccco3)c2CO1 c1coc(c1)C[*:1] CC1(C)Cc2c(C#N)c(nc(-c3ccco3)c2CO1)N1CC[NH+](CC1)CC(=O)N[*:1]
Cn1nnnc1-c1cccc(NC(=O)C(=O)NCCCc2ccccc2)c1 c1ccc(cc1)[*:1] Cn1nnnc1-c1cccc(c1)NC(=O)C(=O)NCCC[*:1]
Cn1nnnc1-c1cccc(NC(=O)C(=O)NCCCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cn1nnnc1-c1cccc(c1)NC(=O)C(=O)NCC[*:1]
Cn1nnnc1-c1cccc(NC(=O)C(=O)NCCCc2ccccc2)c1 c1ccc(cc1)CC[*:1] Cn1nnnc1-c1cccc(c1)NC(=O)C(=O)NC[*:1]
Cn1nnnc1-c1cccc(NC(=O)C(=O)NCCCc2ccccc2)c1 c1ccc(cc1)CCC[*:1] Cn1nnnc1-c1cccc(c1)NC(=O)C(=O)N[*:1]
Cn1nnnc1-c1cccc(NC(=O)C(=O)NCCCc2ccccc2)c1 Cn1nnnc1[*:1] O=C(NCCCc1ccccc1)C(=O)Nc1cccc(c1)[*:1]
COCCN(Cc1ccc(C#N)cc1)Cc1cc(O)ccc1Br COC[*:1] N#Cc1ccc(cc1)CN(Cc1cc(O)ccc1Br)C[*:1]
COCCN(Cc1ccc(C#N)cc1)Cc1cc(O)ccc1Br COCC[*:1] N#Cc1ccc(cc1)CN(Cc1cc(O)ccc1Br)[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@@H](C)c1ccc(F)cc1 C[C@@H](c1ccc(F)cc1)[*:1] Cc1ccc(cc1NCC(=O)N[*:1])NC(=O)C1CC1
Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@@H](C)c1ccc(F)cc1 O=C(N[*:1])C1CC1 Cc1ccc(cc1NCC(=O)N[C@@H](C)c1ccc(F)cc1)[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@@H](C)c1ccc(F)cc1 C1CC1[*:1] Cc1ccc(cc1NCC(=O)N[C@@H](C)c1ccc(F)cc1)NC(=O)[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1NCC(=O)N[C@@H](C)[*:1])NC(=O)C1CC1
C[C@@H](NC(=O)CSc1nc2ccccc2n1C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nc2ccccc2n1C)[*:1]
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1Cc1ccco1
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1OC c1coc(c1)[*:1] C=CCOc1ccc(cc1OC)[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1C[*:1]
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1Cc1ccco1
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1OC c1coc(c1)C[*:1] C=CCOc1ccc(cc1OC)[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1[*:1]
O=[S@@](Cc1nc(-c2ccoc2)no1)Cc1cccnc1Cl c1cc(co1)[*:1] O=[S@@](Cc1nc(no1)[*:1])Cc1cccnc1Cl
O=[S@@](Cc1nc(-c2ccoc2)no1)Cc1cccnc1Cl Clc1ncccc1[*:1] O=[S@@](Cc1nc(no1)-c1ccoc1)C[*:1]
CC(C)NC(=O)CCS(=O)(=O)[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CC(C)NC(=O)CCS(=O)(=O)[*:1]
CC(C)NC(=O)CCS(=O)(=O)[C@H](C)C(C)C CC(C)[*:1] CC(C)NC(=O)CCS(=O)(=O)[C@H](C)[*:1]
CC(C)NC(=O)CCS(=O)(=O)[C@H](C)C(C)C CC(C)[*:1] CC(C)[C@@H](C)S(=O)(=O)CCC(=O)N[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)N(C)C[C@@H](O)COCc1ccccc1)C2 c1ccc(cc1)CO[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N(C)C[C@@H](O)C[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)N(C)C[C@@H](O)COCc1ccccc1)C2 c1ccc(cc1)C[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N(C)C[C@@H](O)CO[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)N(C)C[C@@H](O)COCc1ccccc1)C2 c1ccc(cc1)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N(C)C[C@@H](O)COC[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)N(C)C[C@@H](O)COCc1ccccc1)C2 c1ccc(cc1)COC[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N(C)C[C@@H](O)[*:1]
O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(F)cc1 FC(F)(F)[*:1] O=C(NCCCn1nc(cc1C1CC1)[*:1])Nc1ccc(F)cc1
O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCCn1nc(cc1C1CC1)C(F)(F)F)N[*:1]
O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(F)cc1 C1CC1[*:1] O=C(NCCCn1nc(cc1[*:1])C(F)(F)F)Nc1ccc(F)cc1
Cc1csc(N2CCN([C@H](C)c3c(F)cccc3F)CC2)n1 Cc1csc(n1)[*:1] C[C@H](c1c(F)cccc1F)N1CCN(CC1)[*:1]
O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)NCc1cccs1 c1csc(c1)C[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)c1ncccn1)N[*:1]
O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)NCc1cccs1 c1cnc(nc1)[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)[*:1])NCc1cccs1
O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)NCc1cccs1 c1csc(c1)[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)c1ncccn1)NC[*:1]
Cc1ccc(C(=O)Nc2cccnc2Oc2cccc(C)c2C)cn1 Cc1cccc(c1C)[*:1] Cc1ccc(cn1)C(=O)Nc1cccnc1O[*:1]
Cc1ccc(C(=O)Nc2cccnc2Oc2cccc(C)c2C)cn1 Cc1ccc(cn1)[*:1] Cc1cccc(Oc2ncccc2NC(=O)[*:1])c1C
CCOC(=O)C1=NN(c2cc(F)cc(F)c2)[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CCOC(=O)C1C[C@H](N(N=1)c1cc(F)cc(F)c1)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1 CC(C)C[*:1] COC(=O)[C@H](NC(=O)N1CCCCCC1)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1 CC(C)[*:1] COC(=O)[C@H](C[*:1])NC(=O)N1CCCCCC1
COC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1 COC(=O)[*:1] CC(C)C[C@H](NC(=O)N1CCCCCC1)[*:1]
CS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1 Brc1cccc(c1)C[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1O[*:1]
CS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1 Brc1cccc(c1)CO[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1[*:1]
CS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1OCc1cccc(Br)c1
CS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1OC[*:1]
CON(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)ccc1Cl CON(C)S(=O)(=O)[*:1] Cc1ccc(cc1)NC(=O)c1ccc(Cl)c(c1)[*:1]
CON(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)ccc1Cl Cc1ccc(cc1)[*:1] CON(C)S(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccn(-c2ccccc2)n1 O=C1CCCN1[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccn(n1)-c1ccccc1
O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Oc1ccc(cc1)N1CCCC1=O)c1ccn(n1)[*:1]
C=CC[N+]1(CC(=O)NCc2ccc(NC(C)=O)cc2)CCOCC1 CC(=O)N[*:1] C=CC[N+]1(CCOCC1)CC(=O)NCc1ccc(cc1)[*:1]
C=CC[N+]1(CC(=O)NCc2ccc(NC(C)=O)cc2)CCOCC1 C=CC[*:1] CC(=O)Nc1ccc(cc1)CNC(=O)C[N+]1(CCOCC1)[*:1]
O=C(NCCSc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCSc1ccc(Cl)cc1)C(=O)N[*:1]
O=C(NCCSc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(NCCS[*:1])C(=O)Nc1ccc(F)cc1
Cc1sc(C(=O)NNC(=O)CCOc2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)NNC(=O)CCO[*:1]
Cc1sc(C(=O)NNC(=O)CCOc2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1sc(cc1[*:1])C(=O)NNC(=O)CCOc1ccccc1
Cc1sc(C(=O)NNC(=O)CCOc2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)O[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)NNC(=O)CC[*:1]
Cc1sc(C(=O)NNC(=O)CCOc2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)OC[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)NNC(=O)C[*:1]
Cc1nc(-c2nn3c(Cc4ccccc4OC(F)(F)F)nnc3s2)co1 FC(F)(F)[*:1] Cc1nc(co1)-c1nn2c(Cc3ccccc3O[*:1])nnc2s1
Cc1nc(-c2nn3c(Cc4ccccc4OC(F)(F)F)nnc3s2)co1 FC(F)(F)O[*:1] Cc1nc(co1)-c1nn2c(Cc3ccccc3[*:1])nnc2s1
Cc1nc(-c2nn3c(Cc4ccccc4OC(F)(F)F)nnc3s2)co1 Cc1nc(co1)[*:1] FC(F)(F)Oc1ccccc1Cc1nnc2sc(nn12)[*:1]
Cc1cc(C)c(-c2csc(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)n2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1nc(cs1)[*:1]
Cn1cc([C@H](O)CN[C@@H](c2ccccn2)C2CCCC2)cn1 c1ccc(nc1)[*:1] Cn1cc(cn1)[C@H](O)CN[C@@H](C1CCCC1)[*:1]
Cn1cc([C@H](O)CN[C@@H](c2ccccn2)C2CCCC2)cn1 C1CCC(C1)[*:1] Cn1cc(cn1)[C@H](O)CN[C@@H](c1ccccn1)[*:1]
Cn1cc([C@H](O)CN[C@@H](c2ccccn2)C2CCCC2)cn1 Cn1cc(cn1)[*:1] O[C@H](CN[C@@H](c1ccccn1)C1CCCC1)[*:1]
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCC[C@H](C(F)(F)F)C3)C2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)[C@@]1(NC(=O)N(CN2CCC[C@@H](C2)C(F)(F)F)C1=O)[*:1]
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCC[C@H](C(F)(F)F)C3)C2=O)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)[C@@]1(NC(=O)N(CN2CCC[C@H](C2)[*:1])C1=O)c1ccccc1
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCC[C@H](C(F)(F)F)C3)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C1N[C@](C(=O)N1CN1CCC[C@@H](C1)C(F)(F)F)(c1ccccc1)[*:1]
CCOC(=O)c1ccc(N2CC3=C(C2=O)[C@H](c2ccc(Br)cc2)NC(=O)N3C)cc1 Brc1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)N1CC2=C(C1=O)[C@H](NC(=O)N2C)[*:1]
CCOC(=O)c1ccc(N2CC3=C(C2=O)[C@H](c2ccc(Br)cc2)NC(=O)N3C)cc1 CCOC(=O)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)c1ccc(cc1)[*:1])c1ccc(Br)cc1
CC(C)C(=O)NCCNC(=O)NCC(F)(F)F FC(F)(F)C[*:1] CC(C)C(=O)NCCNC(=O)N[*:1]
CC(C)C(=O)NCCNC(=O)NCC(F)(F)F CC(C)[*:1] O=C(NCCNC(=O)[*:1])NCC(F)(F)F
CC(C)C(=O)NCCNC(=O)NCC(F)(F)F FC(F)(F)[*:1] CC(C)C(=O)NCCNC(=O)NC[*:1]
CCn1cnnc1CCNC(=O)[C@@H]1SCCc2ccccc21 CCn1cnnc1[*:1] O=C(NCC[*:1])[C@@H]1SCCc2ccccc21
COc1cccc(C(=O)NCC[S@@](=O)C(C)(C)C)n1 CC(C)(C)[*:1] COc1cccc(n1)C(=O)NCC[S@@](=O)[*:1]
CCCC(=O)N1CCC(c2nn(CCOC)c(=O)n2CC)CC1 COC[*:1] CCCC(=O)N1CCC(CC1)c1nn(C[*:1])c(=O)n1CC
CCCC(=O)N1CCC(c2nn(CCOC)c(=O)n2CC)CC1 CCC[*:1] CCn1c(nn(CCOC)c1=O)C1CCN(CC1)C(=O)[*:1]
CCCC(=O)N1CCC(c2nn(CCOC)c(=O)n2CC)CC1 COCC[*:1] CCCC(=O)N1CCC(CC1)c1nn(c(=O)n1CC)[*:1]
CC[C@@H](C(=O)N[C@@H](CO)c1ccco1)[NH+](C)C c1coc(c1)[*:1] CC[C@@H](C(=O)N[C@@H](CO)[*:1])[NH+](C)C
CC[C@@H](COC)N1CCC(=O)CC1=O COC[*:1] CC[C@@H](N1CCC(=O)CC1=O)[*:1]
C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 O=[N+]([O-])[*:1] C[C@@H](C[NH2+]Cc1cccc(c1)[*:1])C[NH+]1CCCCC1
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc2c(c1)CCC(=O)N2 C[S@@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)c1ccc2NC(=O)CCc2c1
CCOc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)CC(=O)N1CCN(CC1)[*:1]
CCOc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCN(CC1)c1ccccc1
C[C@@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)[O-] c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(cc1)O[*:1])C(=O)[O-]
C[C@@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Oc1ccc(cc1)Oc1ccccc1)[*:1]
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)c1ccc2c(c1)CCC2 O=S(=O)(N1CCCCC1)[*:1] C[C@@H](Sc1nnc(o1)-c1cccc(c1)[*:1])C(=O)c1ccc2CCCc2c1
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)c1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] C[C@@H](Sc1nnc(o1)-c1cccc(c1)S(=O)(=O)N1CCCCC1)C(=O)[*:1]
C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)C(=O)c1ccc2c(c1)CCC2 O=C(c1ccc2CCCc2c1)[*:1] C[C@@H](Sc1nnc(o1)-c1cccc(c1)S(=O)(=O)N1CCCCC1)[*:1]
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(NNC(=O)c1cc2CCCCCc2s1)c1ccc(o1)[*:1]
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(NNC(=O)[*:1])c1cc2CCCCCc2s1
C#CCN1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 C#CC[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)[C@H](C)N1CCN(CC1)[*:1]
C#CCN1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 O=[N+]([O-])[*:1] C#CCN1CCN(CC1)[C@@H](C)C(=O)Nc1cccc(c1C)[*:1]
C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 C[NH+](C)CC[*:1] C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(CC1)[*:1]
CC[C@]1(C(=O)[O-])CCN(C(=O)[C@]2(C)CCCO2)C1 O=C([O-])[*:1] CC[C@@]1(CCN(C1)C(=O)[C@]1(C)CCCO1)[*:1]
CC[C@]1(C(=O)[O-])CCN(C(=O)[C@]2(C)CCCO2)C1 C[C@@]1(CCCO1)[*:1] CC[C@@]1(CCN(C1)C(=O)[*:1])C(=O)[O-]
CC(C)[NH+](CC(N)=O)CC(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] CC(C)[NH+](CC(=O)N1CCC(CC1)C(N)=O)C[*:1]
CC(C)[NH+](CC(N)=O)CC(=O)N1CCC(C(N)=O)CC1 NC(=O)C[*:1] CC(C)[NH+](CC(=O)N1CCC(CC1)C(N)=O)[*:1]
CC(C)[NH+](CC(N)=O)CC(=O)N1CCC(C(N)=O)CC1 CC(C)[*:1] NC(=O)C[NH+](CC(=O)N1CCC(CC1)C(N)=O)[*:1]
CC(C)[NH+](CC(N)=O)CC(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] CC(C)[NH+](CC(N)=O)CC(=O)N1CCC(CC1)[*:1]
Cc1ccc(NCc2ncc(C(C)C)o2)cc1OC(F)F FC(F)O[*:1] Cc1ccc(cc1[*:1])NCc1ncc(o1)C(C)C
Cc1ccc(NCc2ncc(C(C)C)o2)cc1OC(F)F CC(C)[*:1] Cc1ccc(cc1OC(F)F)NCc1ncc(o1)[*:1]
Cc1ccc(NCc2ncc(C(C)C)o2)cc1OC(F)F FC(F)[*:1] Cc1ccc(cc1O[*:1])NCc1ncc(o1)C(C)C
COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cccc3)nc2)cc1 c1ccn(c1)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)c1ccc(nc1)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cccc3)nc2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(nc1)-n1cccc1)N1CCC[C@H]1[*:1]
COc1ccc(C=O)c(OS(=O)(=O)c2cccs2)c1 c1csc(c1)[*:1] COc1ccc(C=O)c(c1)OS(=O)(=O)[*:1]
Cc1nnc2sc(-c3ccc(CNC(=O)Cc4ccc(Cl)cc4)cc3)nn12 Cc1nnc2sc(nn12)[*:1] O=C(Cc1ccc(Cl)cc1)NCc1ccc(cc1)[*:1]
Cc1nnc2sc(-c3ccc(CNC(=O)Cc4ccc(Cl)cc4)cc3)nn12 Clc1ccc(cc1)[*:1] Cc1nnc2sc(nn12)-c1ccc(cc1)CNC(=O)C[*:1]
Cc1nnc2sc(-c3ccc(CNC(=O)Cc4ccc(Cl)cc4)cc3)nn12 Clc1ccc(cc1)C[*:1] Cc1nnc2sc(nn12)-c1ccc(cc1)CNC(=O)[*:1]
Cc1ccsc1[C@@H]1CC(=O)Nc2ccccc2S1 Cc1ccsc1[*:1] O=C1C[C@H](Sc2ccccc2N1)[*:1]
Cc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cccs4)c3)c2)n1 Cc1noc(n1)[*:1] O=C(NCc1cccs1)c1cn(cn1)-c1cc(ccn1)[*:1]
Cc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cccs4)c3)c2)n1 c1csc(c1)[*:1] Cc1noc(n1)-c1ccnc(c1)-n1cnc(c1)C(=O)NC[*:1]
Cc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cccs4)c3)c2)n1 c1csc(c1)C[*:1] Cc1noc(n1)-c1ccnc(c1)-n1cnc(c1)C(=O)N[*:1]
N#C[C@]1(NC2CC2)CCC[C@H](Oc2cc(F)ccc2F)C1 C1CC1N[*:1] N#C[C@@]1(CCC[C@@H](C1)Oc1cc(F)ccc1F)[*:1]
N#C[C@]1(NC2CC2)CCC[C@H](Oc2cc(F)ccc2F)C1 C1CC1[*:1] N#C[C@@]1(CCC[C@@H](C1)Oc1cc(F)ccc1F)N[*:1]
C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@@H](OC(=O)c1n[nH]c2ccccc12)[*:1]
Cc1cccc(C)c1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F Fc1ccccc1O[*:1] Cc1cccc(C)c1C(=O)NNC(=O)[C@H](C)[*:1]
Cc1cccc(C)c1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F Cc1cccc(C)c1[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[*:1]
Cc1cccc(C)c1C(=O)NNC(=O)[C@H](C)Oc1ccccc1F Fc1ccccc1[*:1] Cc1cccc(C)c1C(=O)NNC(=O)[C@H](C)O[*:1]
O=S1(=O)CC[C@@H](S(=O)(=O)N[C@H]2CCCO2)C1 C1CO[C@H](C1)[*:1] O=S1(=O)CC[C@H](C1)S(=O)(=O)N[*:1]
CC1(C)C(NS(=O)(=O)c2ccc(CCO)cc2)C1(C)C OCC[*:1] CC1(C)C(NS(=O)(=O)c2ccc(cc2)[*:1])C1(C)C
CC[C@H](COC)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 CC[C@H](COC)[*:1] O=C(N[*:1])[C@@H]1C[C@@H]1c1cccc(Cl)c1
CC[C@H](COC)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 COC[*:1] CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
COc1ccccc1NC(=O)CCSc1nnc(C(F)(F)F)n1N FC(F)(F)[*:1] COc1ccccc1NC(=O)CCSc1nnc(n1N)[*:1]
COc1ccccc1NC(=O)CCSc1nnc(C(F)(F)F)n1N COc1ccccc1[*:1] Nn1c(nnc1C(F)(F)F)SCCC(=O)N[*:1]
Cc1noc(C/C=N/c2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1noc(C/C=N/c2ccccc2)c1[*:1]
Cc1noc(C/C=N/c2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1noc(CC=N[*:1])c1[N+](=O)[O-]
CCNc1cc(C)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 CCN[*:1] Cc1cc(nc(n1)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C)[*:1]
CCNc1cc(C)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 CC(C)(C)[*:1] CCNc1cc(C)nc(n1)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCn1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CCCCC2)ccc1=O C1CCC(CC1)[*:1] CCn1cc(ccc1=O)NC(=O)C(=O)N[C@@H]1C[C@@H]1[*:1]
CC(C)Sc1ccccc1C(=O)NC[C@@](C)(O)c1ccc(F)cc1F CC(C)S[*:1] C[C@@](O)(CNC(=O)c1ccccc1[*:1])c1ccc(F)cc1F
CC(C)Sc1ccccc1C(=O)NC[C@@](C)(O)c1ccc(F)cc1F CC(C)[*:1] C[C@@](O)(CNC(=O)c1ccccc1S[*:1])c1ccc(F)cc1F
CC(C)Sc1ccccc1C(=O)NC[C@@](C)(O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(C)Sc1ccccc1C(=O)NC[C@@](C)(O)[*:1]
Cn1ccc2cc(C(=O)Nc3ccc(-n4cc(Br)cn4)nc3)ccc21 Brc1cnn(c1)[*:1] Cn1ccc2cc(ccc21)C(=O)Nc1ccc(nc1)[*:1]
COc1ccccc1Cc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 Fc1cccc(Cl)c1[*:1] COc1ccccc1Cc1nnc(NC(=O)C[*:1])s1
COc1ccccc1Cc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 COc1ccccc1[*:1] O=C(Cc1c(F)cccc1Cl)Nc1nnc(C[*:1])s1
O=C(NC[C@H](O)COCC1CC1)Nc1ccc2c(c1)COC2 C1CC1[*:1] O=C(NC[C@H](O)COC[*:1])Nc1ccc2COCc2c1
O=C(NC[C@H](O)COCC1CC1)Nc1ccc2c(c1)COC2 C1CC1C[*:1] O=C(NC[C@H](O)CO[*:1])Nc1ccc2COCc2c1
O=C(NC[C@H](O)COCC1CC1)Nc1ccc2c(c1)COC2 C1CC1CO[*:1] O=C(NC[C@H](O)C[*:1])Nc1ccc2COCc2c1
O=C(NC[C@H](O)COCC1CC1)Nc1ccc2c(c1)COC2 C1CC1COC[*:1] O=C(NC[C@H](O)[*:1])Nc1ccc2COCc2c1
C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(c1)C[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
C[C@H]1CCN(C(=O)NCCCN2CCOCC2)[C@@H](C)C1 C1CN(CCO1)[*:1] C[C@H]1CCN(C(=O)NCCC[*:1])[C@@H](C)C1
COc1ccc(-c2csc(NC(=O)c3csc(-c4ccco4)n3)n2)c(OC)c1 c1coc(c1)[*:1] COc1ccc(-c2csc(n2)NC(=O)c2csc(n2)[*:1])c(c1)OC
CC1(C)OC(=O)C=C(C(F)(F)F)O1 FC(F)(F)[*:1] CC1(C)OC(=O)C=C(O1)[*:1]
CCCOCC(C)(C)C[C@H](C)[NH3+] CCC[*:1] C[C@H]([NH3+])CC(C)(C)CO[*:1]
CCCOCC(C)(C)C[C@H](C)[NH3+] CCCO[*:1] C[C@H]([NH3+])CC(C)(C)C[*:1]
CCc1cnc(NC(=O)c2ccc(S(C)(=O)=O)o2)s1 CS(=O)(=O)[*:1] CCc1cnc(NC(=O)c2ccc(o2)[*:1])s1
CCOCc1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 CCO[*:1] O=C(NCc1ccc(cc1)C[*:1])C(=O)Nc1cc(Cl)cc(Cl)c1
CCOCc1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 CCOC[*:1] O=C(NCc1ccc(cc1)[*:1])C(=O)Nc1cc(Cl)cc(Cl)c1
CCOCc1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 Clc1cc(Cl)cc(c1)[*:1] CCOCc1ccc(cc1)CNC(=O)C(=O)N[*:1]
CC[C@H](NC(C)=O)c1ccc([C@H](C)CC)cc1 CC(=O)N[*:1] CC[C@H](c1ccc(cc1)[C@H](C)CC)[*:1]
CC[C@H](NC(C)=O)c1ccc([C@H](C)CC)cc1 CC[C@@H](C)[*:1] CC[C@H](NC(C)=O)c1ccc(cc1)[*:1]
CCc1ccccc1OC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] CCc1ccccc1OC[*:1]
COc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 COc1ccccc1[*:1] COc1ccc(cc1)C(=O)COc1ccc2C(=O)C(=C[*:1])Oc2c1C
COc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 COc1ccc(cc1)[*:1] COc1ccccc1/C=C1\Oc2c(ccc(OCC(=O)[*:1])c2C)C1=O
COc1ccc(C(=O)COc2ccc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)cc1 COc1ccc(cc1)C(=O)[*:1] COc1ccccc1/C=C1\Oc2c(ccc(OC[*:1])c2C)C1=O
CC(C)c1nccn1CC1=C[C@H](C(=O)N2CCCC[C@@H]2c2cccnc2)N=N1 CC(C)[*:1] O=C([C@H]1C=C(Cn2ccnc2[*:1])N=N1)N1CCCC[C@@H]1c1cccnc1
CC(C)c1nccn1CC1=C[C@H](C(=O)N2CCCC[C@@H]2c2cccnc2)N=N1 CC(C)c1nccn1[*:1] O=C([C@H]1C=C(C[*:1])N=N1)N1CCCC[C@@H]1c1cccnc1
CC(C)c1nccn1CC1=C[C@H](C(=O)N2CCCC[C@@H]2c2cccnc2)N=N1 c1cncc(c1)[*:1] CC(C)c1nccn1CC1=C[C@@H](N=N1)C(=O)N1CCCC[C@H]1[*:1]
CC(C)c1nccn1CC1=C[C@H](C(=O)N2CCCC[C@@H]2c2cccnc2)N=N1 CC(C)c1nccn1C[*:1] O=C([C@H]1C=C(N=N1)[*:1])N1CCCC[C@@H]1c1cccnc1
O=C(Nc1ccccc1)C(=O)Nc1cc(-n2cccc2)ccc1F c1ccc(cc1)[*:1] O=C(Nc1cc(ccc1F)-n1cccc1)C(=O)N[*:1]
O=C(Nc1ccccc1)C(=O)Nc1cc(-n2cccc2)ccc1F c1ccn(c1)[*:1] O=C(Nc1ccccc1)C(=O)Nc1cc(ccc1F)[*:1]
COC(=O)NCCC(=O)N1CCOC[C@@H]1C1CC1 COC(=O)N[*:1] O=C(CC[*:1])N1CCOC[C@@H]1C1CC1
COC(=O)NCCC(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] COC(=O)NCCC(=O)N1CCOC[C@H]1[*:1]
COC(=O)NCCC(=O)N1CCOC[C@@H]1C1CC1 COC(=O)NC[*:1] O=C(C[*:1])N1CCOC[C@@H]1C1CC1
Cc1ccc([C@](C)(O)CNC(=O)Nc2cnccc2C)o1 Cc1ccncc1[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)N[*:1]
Cc1ccc([C@](C)(O)CNC(=O)Nc2cnccc2C)o1 Cc1ccc(o1)[*:1] Cc1ccncc1NC(=O)NC[C@](C)(O)[*:1]
CCOCc1ccc(NC(=O)Cc2c(C)noc2Cl)cc1 CCOC[*:1] Cc1noc(Cl)c1CC(=O)Nc1ccc(cc1)[*:1]
CCOCc1ccc(NC(=O)Cc2c(C)noc2Cl)cc1 Cc1noc(Cl)c1[*:1] CCOCc1ccc(cc1)NC(=O)C[*:1]
CCOCc1ccc(NC(=O)Cc2c(C)noc2Cl)cc1 CCO[*:1] Cc1noc(Cl)c1CC(=O)Nc1ccc(cc1)C[*:1]
COc1ccc(CNC(=O)c2ccc3c(=O)n(-c4ccc(OC)cc4)cnc3c2)cc1 COc1ccc(cc1)C[*:1] COc1ccc(cc1)-n1cnc2cc(ccc2c1=O)C(=O)N[*:1]
COc1ccc(CNC(=O)c2ccc3c(=O)n(-c4ccc(OC)cc4)cnc3c2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)-n1cnc2cc(ccc2c1=O)C(=O)NC[*:1]
COc1ccc(CNC(=O)c2ccc3c(=O)n(-c4ccc(OC)cc4)cnc3c2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)c1ccc2c(=O)n(cnc2c1)[*:1]
CC(C)C(=O)Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 CC(C)[*:1] O=C(Nc1ccn(c(=O)n1)[C@H]1C[C@H](O)[C@@H](CO)O1)[*:1]
CC(C)C(=O)Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 CC(C)C(=O)N[*:1] O=c1nc(ccn1[C@H]1C[C@H](O)[C@@H](CO)O1)[*:1]
CC(=O)c1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)N1CCSc2ncccc21
CC(=O)c1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)NC(=O)N1CCSc2ncccc21
CCCCn1c(N2CCC([NH3+])CC2)nc2ccsc2c1=O CCC[*:1] [NH3+]C1CCN(CC1)c1nc2ccsc2c(=O)n1C[*:1]
CCCCn1c(N2CCC([NH3+])CC2)nc2ccsc2c1=O [NH3+]C1CCN(CC1)[*:1] CCCCn1c(nc2ccsc2c1=O)[*:1]
CCCCn1c(N2CCC([NH3+])CC2)nc2ccsc2c1=O CCCC[*:1] [NH3+]C1CCN(CC1)c1nc2ccsc2c(=O)n1[*:1]
Cc1ccc2nc(NC(=O)C[NH+]3CCC(Cn4nc(C)cc4C)CC3)sc2c1 Cc1cc(C)n(n1)[*:1] Cc1ccc2nc(NC(=O)C[NH+]3CCC(CC3)C[*:1])sc2c1
Cc1ccc2nc(NC(=O)C[NH+]3CCC(Cn4nc(C)cc4C)CC3)sc2c1 Cc1cc(C)n(C[*:1])n1 Cc1ccc2nc(NC(=O)C[NH+]3CCC(CC3)[*:1])sc2c1
Cn1nccc1[C@@H](O)c1c[nH+]cn1C1CC1 C1CC1[*:1] Cn1nccc1[C@@H](O)c1c[nH+]cn1[*:1]
C=CCn1c(N2CCN(C(=O)c3cccs3)CC2)nc2cc3c(cc2c1=O)OCCO3 c1csc(c1)[*:1] C=CCn1c(nc2cc3OCCOc3cc2c1=O)N1CCN(CC1)C(=O)[*:1]
C=CCn1c(N2CCN(C(=O)c3cccs3)CC2)nc2cc3c(cc2c1=O)OCCO3 C=CC[*:1] O=C(c1cccs1)N1CCN(CC1)c1nc2cc3OCCOc3cc2c(=O)n1[*:1]
Cc1ccccc1N1C[C@H](C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)CC1=O Cc1ccccc1[*:1] O=C1NC2(CCN(CC2)C(=O)[C@@H]2CC(=O)N(C2)[*:1])Nc2ccccc21
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccs2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1cccs1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccs2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2cccs2)N1CCCN1CCOCC1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccs2)N1CCCN1CCOCC1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccs2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CCC[*:1])[C@@H]1c1cccs1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccs2)cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccs1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccs2)cc1 C(CN1CCOCC1)C[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccs1)[*:1]
CS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 c1ccc2oc(nc2c1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
CS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 CS(=O)(=O)[*:1] O=C(Nc1cccc(c1)-c1nc2ccccc2o1)c1cccc(c1)[*:1]
COC(=O)/C(=C/c1ccc(C)o1)CC(=O)[O-] COC(=O)[*:1] Cc1ccc(C=C(CC(=O)[O-])[*:1])o1
COC(=O)/C(=C/c1ccc(C)o1)CC(=O)[O-] O=C([O-])[*:1] COC(=O)/C(=C/c1ccc(C)o1)C[*:1]
COC(=O)/C(=C/c1ccc(C)o1)CC(=O)[O-] O=C([O-])C[*:1] COC(=O)/C(=C/c1ccc(C)o1)[*:1]
Cc1cc(S(=O)(=O)N2CCC[C@H](CC(N)=O)C2)c(F)cc1F NC(=O)[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)N1CCC[C@@H](C1)C[*:1]
Cc1cc(S(=O)(=O)N2CCC[C@H](CC(N)=O)C2)c(F)cc1F NC(=O)C[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc2c(c1)c(=O)c(C(=O)NCCc1ccco1)nn2C c1coc(c1)[*:1] Cc1ccc2c(c1)c(=O)c(nn2C)C(=O)NCC[*:1]
Cc1ccc2c(c1)c(=O)c(C(=O)NCCc1ccco1)nn2C c1coc(c1)C[*:1] Cc1ccc2c(c1)c(=O)c(nn2C)C(=O)NC[*:1]
Cc1ccc2c(c1)c(=O)c(C(=O)NCCc1ccco1)nn2C c1coc(c1)CC[*:1] Cc1ccc2c(c1)c(=O)c(nn2C)C(=O)N[*:1]
Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1Cl Clc1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)N(C)CC(=O)Nc1ccc(cc1)OC(F)(F)F
Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1Cl FC(F)(F)[*:1] Cc1cc(=O)c(nn1-c1ccccc1Cl)C(=O)N(C)CC(=O)Nc1ccc(cc1)O[*:1]
Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1Cl FC(F)(F)Oc1ccc(cc1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1Cl)C(=O)N(C)CC(=O)N[*:1]
Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1Cl FC(F)(F)O[*:1] Cc1cc(=O)c(nn1-c1ccccc1Cl)C(=O)N(C)CC(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1CN(C)C(=O)CSc1nnc(C2CC2)n1C Cc1ccccc1[*:1] CN(C[*:1])C(=O)CSc1nnc(C2CC2)n1C
Cc1ccccc1CN(C)C(=O)CSc1nnc(C2CC2)n1C C1CC1[*:1] Cc1ccccc1CN(C)C(=O)CSc1nnc(n1C)[*:1]
CC(C)COC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 CC(C)[*:1] C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC[*:1]
CC(C)COC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 CC(C)C[*:1] C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)O[*:1]
COC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12 Fc1cccc(c1)C[*:1] COC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@]12C(=O)N(c1ccccc12)[*:1]
COC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12 COC(=O)[*:1] Cc1n[nH]c2OC(N)=C([C@]3(C(=O)N(Cc4cccc(F)c4)c4ccccc43)c12)[*:1]
COC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12 Fc1cccc(c1)[*:1] COC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@]12C(=O)N(C[*:1])c1ccccc12
C[C@@H](O/N=C(/N)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 c1ccc(cc1)C[*:1] C[C@@H](O/N=C(/N)[*:1])C(=O)Nc1ccc(F)c(F)c1
C[C@@H](O/N=C(/N)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](O/N=C(/N)Cc1ccccc1)C(=O)N[*:1]
C[C@@H](O/N=C(/N)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 c1ccc(cc1)[*:1] C[C@@H](O/N=C(/N)C[*:1])C(=O)Nc1ccc(F)c(F)c1
CC[C@@H](NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1)c1nc(C)cs1 CC(C)(C)[*:1] CC[C@@H](NC(=O)C(=O)Nc1cnc(nc1)[*:1])c1nc(C)cs1
CC[C@@H](NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)C(=O)Nc1cnc(nc1)C(C)(C)C)[*:1]
C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] O=[N+]([O-])[*:1] C[C@H]1CN(CC[C@H]1[NH3+])C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1ccccc1C[NH+](C)C Clc1ccccc1[*:1] C[C@@H](N(C)C(=O)NCc1ccccc1C[NH+](C)C)[*:1]
CC(C)(C)[C@H](NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccs1 CC(C)(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)N[C@H](c1cccs1)[*:1]
CC(C)(C)[C@H](NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@H](NC(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC(C)(C)[C@H](NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccs1 CS(=O)(=O)[*:1] CC(C)(C)[C@H](NC(=O)N[C@H]1CCC[C@H](C1)[*:1])c1cccs1
COc1ncccc1CNC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] COc1ncccc1CNC(=O)N(C)[C@@H]1CCN(C1=O)[*:1]
COc1ncccc1CNC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O COc1ncccc1[*:1] CN(C(=O)NC[*:1])[C@@H]1CCN(C1=O)c1ccccc1
Cc1noc(C)c1CSCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C Cc1noc(C)c1[*:1] C[C@H]1[C@H](CCN1C(=O)CSC[*:1])C(=O)[O-]
Cc1noc(C)c1CSCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] Cc1noc(C)c1CSCC(=O)N1CC[C@H]([C@@H]1C)[*:1]
O=C(NCc1nncn1C1CC1)C1(c2cccc(F)c2)CCCCC1 Fc1cccc(c1)[*:1] O=C(NCc1nncn1C1CC1)C1(CCCCC1)[*:1]
O=C(NCc1nncn1C1CC1)C1(c2cccc(F)c2)CCCCC1 c1nnc(n1C1CC1)[*:1] O=C(NC[*:1])C1(CCCCC1)c1cccc(F)c1
O=C(NCc1nncn1C1CC1)C1(c2cccc(F)c2)CCCCC1 C1CC1[*:1] O=C(NCc1nncn1[*:1])C1(CCCCC1)c1cccc(F)c1
Cc1ncsc1CCNC(=O)C[C@H]1COCCN1C(=O)N1CCCC1 Cc1ncsc1CC[*:1] O=C(C[C@H]1COCCN1C(=O)N1CCCC1)N[*:1]
Cc1ncsc1CCNC(=O)C[C@H]1COCCN1C(=O)N1CCCC1 Cc1ncsc1[*:1] O=C(C[C@H]1COCCN1C(=O)N1CCCC1)NCC[*:1]
Cc1ncsc1CCNC(=O)C[C@H]1COCCN1C(=O)N1CCCC1 Cc1ncsc1C[*:1] O=C(C[C@H]1COCCN1C(=O)N1CCCC1)NC[*:1]
COC(=O)C1=C(C)Nc2[nH]ncc2[C@@H]1c1ccccc1 COC(=O)[*:1] CC1Nc2[nH]ncc2[C@@H](C=1[*:1])c1ccccc1
COC(=O)C1=C(C)Nc2[nH]ncc2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C1=C(C)Nc2[nH]ncc2[C@H]1[*:1]
COc1ccc(OC)c(-c2nnc(NC(=O)c3cccs3)o2)c1 c1csc(c1)[*:1] COc1ccc(OC)c(c1)-c1nnc(NC(=O)[*:1])o1
CN(Cc1cccs1)c1nc(C(F)(F)F)ccc1C[NH3+] c1csc(c1)C[*:1] CN(c1nc(ccc1C[NH3+])C(F)(F)F)[*:1]
CN(Cc1cccs1)c1nc(C(F)(F)F)ccc1C[NH3+] c1csc(c1)[*:1] CN(C[*:1])c1nc(ccc1C[NH3+])C(F)(F)F
CN(Cc1cccs1)c1nc(C(F)(F)F)ccc1C[NH3+] FC(F)(F)[*:1] CN(Cc1cccs1)c1nc(ccc1C[NH3+])[*:1]
O=C(Nc1nccs1)c1cc2ccccc2cc1O c1csc(n1)[*:1] O=C(N[*:1])c1cc2ccccc2cc1O
CC[C@H](NC(=O)Cc1ccn(-c2ccc(F)cc2)n1)C(=O)OC Fc1ccc(cc1)[*:1] CC[C@H](NC(=O)Cc1ccn(n1)[*:1])C(=O)OC
CC[C@H](NC(=O)Cc1ccn(-c2ccc(F)cc2)n1)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)Cc1ccn(n1)-c1ccc(F)cc1)[*:1]
CC[C@H](NC(=O)Cc1ccn(-c2ccc(F)cc2)n1)C(=O)OC CC[C@H](C(=O)OC)[*:1] O=C(Cc1ccn(n1)-c1ccc(F)cc1)N[*:1]
CCCC[NH+](C)CCC(=O)Nc1ccccc1Cl CCCC[*:1] C[NH+](CCC(=O)Nc1ccccc1Cl)[*:1]
CCCC[NH+](C)CCC(=O)Nc1ccccc1Cl CCC[*:1] C[NH+](CCC(=O)Nc1ccccc1Cl)C[*:1]
COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 CN(C)C(=O)[*:1] COCc1ccccc1[N-]S(=O)(=O)c1cc(n(C)c1)[*:1]
COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 COC[*:1] CN(C)C(=O)c1cc(cn1C)S(=O)(=O)[N-]c1ccccc1[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NCCc1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCCc1cccc(c1)OC[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NCCc1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCCc1cccc(c1)O[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NCCc1cccc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCCc1cccc(c1)[*:1]
Cc1cc(-c2nnc(CN3CCC[C@@H]3c3c(C)n[nH]c3C)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1nnc(o1)[*:1]
Cc1cc(-c2nnc(CN3CCC[C@@H]3c3c(C)n[nH]c3C)o2)c(C)o1 Cc1n[nH]c(C)c1[*:1] Cc1cc(-c2nnc(CN3CCC[C@H]3[*:1])o2)c(C)o1
C[NH+](Cc1cc(Cl)ccc1OC(F)F)CC1CC[NH2+]CC1 FC(F)[*:1] C[NH+](Cc1cc(Cl)ccc1O[*:1])CC1CC[NH2+]CC1
C[NH+](Cc1cc(Cl)ccc1OC(F)F)CC1CC[NH2+]CC1 FC(F)O[*:1] C[NH+](Cc1cc(Cl)ccc1[*:1])CC1CC[NH2+]CC1
Cc1ccc(-c2nnc(NC(=O)CCCOc3cccnc3)s2)c(C)c1 c1cncc(c1)[*:1] Cc1ccc(-c2nnc(NC(=O)CCCO[*:1])s2)c(C)c1
Cc1ccc(-c2nnc(NC(=O)CCCOc3cccnc3)s2)c(C)c1 c1cncc(c1)OC[*:1] Cc1ccc(-c2nnc(NC(=O)CC[*:1])s2)c(C)c1
Cc1ccc(-c2nnc(NC(=O)CCCOc3cccnc3)s2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CCCOc1cccnc1)Nc1nnc(s1)[*:1]
Cc1ccc(-c2nnc(NC(=O)CCCOc3cccnc3)s2)c(C)c1 c1cncc(c1)O[*:1] Cc1ccc(-c2nnc(NC(=O)CCC[*:1])s2)c(C)c1
Cc1ccoc1[C@@H](C)[NH2+]CCS(=O)(=O)N1CCOCC1 Cc1ccoc1[*:1] C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[*:1]
Cn1c(COC(=O)Cc2cccc(C(F)(F)F)c2)cc(=O)n(C)c1=O FC(F)(F)[*:1] Cn1c(cc(=O)n(C)c1=O)COC(=O)Cc1cccc(c1)[*:1]
COc1ccc(CC(=O)NNC(=O)CC2CCCCC2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)CC(=O)NNC(=O)C[*:1]
COc1ccc(CC(=O)NNC(=O)CC2CCCCC2)cc1OC C1CCC(CC1)C[*:1] COc1ccc(cc1OC)CC(=O)NNC(=O)[*:1]
COC(=O)CS(=O)(=O)[N-]c1ccc(Br)c(C)n1 COC(=O)[*:1] Cc1nc(ccc1Br)[N-]S(=O)(=O)C[*:1]
COC(=O)CS(=O)(=O)[N-]c1ccc(Br)c(C)n1 COC(=O)C[*:1] Cc1nc(ccc1Br)[N-]S(=O)(=O)[*:1]
CC[C@H](C)C1(C[NH3+])CCOCC1 CC[C@H](C)[*:1] [NH3+]CC1(CCOCC1)[*:1]
CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4cc(C5CC5)n[nH]4)CC3)noc2n1 C1CC1[*:1] CC(C)c1cc(c2c(noc2n1)C1CCN(CC1)C(=O)c1cc(n[nH]1)[*:1])C(F)(F)F
CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4cc(C5CC5)n[nH]4)CC3)noc2n1 c1c(n[nH]c1[*:1])C1CC1 CC(C)c1cc(c2c(noc2n1)C1CCN(CC1)C(=O)[*:1])C(F)(F)F
CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4cc(C5CC5)n[nH]4)CC3)noc2n1 FC(F)(F)[*:1] CC(C)c1cc(c2c(noc2n1)C1CCN(CC1)C(=O)c1cc(n[nH]1)C1CC1)[*:1]
CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4cc(C5CC5)n[nH]4)CC3)noc2n1 CC(C)[*:1] O=C(c1cc(n[nH]1)C1CC1)N1CCC(CC1)c1noc2nc(cc(c12)C(F)(F)F)[*:1]
Cc1ccc(-n2nc(-c3noc(CCC(=O)NCc4cccc(Cl)c4)n3)c(=O)n(C)c2=O)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c(nn(c1=O)[*:1])-c1noc(CCC(=O)NCc2cccc(Cl)c2)n1
Cc1ccc(-n2nc(-c3noc(CCC(=O)NCc4cccc(Cl)c4)n3)c(=O)n(C)c2=O)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)-n1nc(-c2noc(CCC(=O)NC[*:1])n2)c(=O)n(C)c1=O
Cc1ccc(-n2nc(-c3noc(CCC(=O)NCc4cccc(Cl)c4)n3)c(=O)n(C)c2=O)cc1 Clc1cccc(c1)C[*:1] Cc1ccc(cc1)-n1nc(-c2noc(CCC(=O)N[*:1])n2)c(=O)n(C)c1=O
Cc1ccc(-n2nc(-c3noc(CCC(=O)NCc4cccc(Cl)c4)n3)c(=O)n(C)c2=O)cc1 O=C(NCc1cccc(Cl)c1)[*:1] Cc1ccc(cc1)-n1nc(-c2noc(CC[*:1])n2)c(=O)n(C)c1=O
O=C(C[C@@H]1C[NH2+]CCO1)NCCCCn1cc[nH+]c1 c1cn(c[nH+]1)C[*:1] O=C(C[C@@H]1C[NH2+]CCO1)NCCC[*:1]
Cn1ccc2c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cccc21 NS(=O)(=O)[*:1] Cn1ccc2c(cccc21)C(=O)NCc1ccc(cc1)[*:1]
C[NH2+][C@@H](Cc1ncnc2c1CCCC2)C(C)C CC(C)[*:1] C[NH2+][C@@H](Cc1ncnc2CCCCc21)[*:1]
O=C(NCc1noc(-c2ccco2)n1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 c1coc(c1)[*:1] O=C(NCc1noc(n1)[*:1])c1cn(C[C@@H]2CCC[NH2+]C2)nn1
CCc1onc(C)c1NC(=O)N1CCC[C@@H]1c1ccc(C)s1 Cc1ccc(s1)[*:1] CCc1onc(C)c1NC(=O)N1CCC[C@H]1[*:1]
COC(=O)c1ccccc1C[NH+]1CCC(OC(C)(C)C)CC1 COC(=O)[*:1] CC(C)(C)OC1CC[NH+](CC1)Cc1ccccc1[*:1]
COC(=O)c1ccccc1C[NH+]1CCC(OC(C)(C)C)CC1 CC(C)(C)O[*:1] COC(=O)c1ccccc1C[NH+]1CCC(CC1)[*:1]
COC(=O)c1ccccc1C[NH+]1CCC(OC(C)(C)C)CC1 CC(C)(C)[*:1] COC(=O)c1ccccc1C[NH+]1CCC(CC1)O[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(C)cc(C)cc2s1 CCS(=O)(=O)[*:1] Cc1cc(C)c2nc(NC(=O)c3ccccc3[*:1])sc2c1
O=C(NO)C1CCC(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] O=C(NO)C1CCC(CC1)CN(Cc1ccccc1)S(=O)(=O)[*:1]
O=C(NO)C1CCC(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 c1ccc(cc1)C[*:1] O=C(NO)C1CCC(CC1)CN(S(=O)(=O)c1ccc(Br)cc1)[*:1]
O=C(NO)C1CCC(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 c1ccc(cc1)[*:1] O=C(NO)C1CCC(CC1)CN(C[*:1])S(=O)(=O)c1ccc(Br)cc1
O=C(NO)C1CCC(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 O=C(NO)[*:1] O=S(=O)(c1ccc(Br)cc1)N(Cc1ccccc1)CC1CCC(CC1)[*:1]
CCCN1C(=O)c2c(C(=O)NCc3cccc(F)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 Fc1cccc(c1)[*:1] CCCN1C(=O)c2c(ncn2C[C@]1(C)C(=O)NC1CCCC1)C(=O)NC[*:1]
CCCN1C(=O)c2c(C(=O)NCc3cccc(F)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 CCC[*:1] C[C@@]1(Cn2cnc(C(=O)NCc3cccc(F)c3)c2C(=O)N1[*:1])C(=O)NC1CCCC1
CCCN1C(=O)c2c(C(=O)NCc3cccc(F)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 O=C(NCc1cccc(F)c1)[*:1] CCCN1C(=O)c2c(ncn2C[C@]1(C)C(=O)NC1CCCC1)[*:1]
CCCN1C(=O)c2c(C(=O)NCc3cccc(F)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] CCCN1C(=O)c2c(ncn2C[C@@]1(C)[*:1])C(=O)NCc1cccc(F)c1
CCCN1C(=O)c2c(C(=O)NCc3cccc(F)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 Fc1cccc(c1)C[*:1] CCCN1C(=O)c2c(ncn2C[C@]1(C)C(=O)NC1CCCC1)C(=O)N[*:1]
CCCN1C(=O)c2c(C(=O)NCc3cccc(F)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CCCN1C(=O)c2c(ncn2C[C@]1(C)C(=O)N[*:1])C(=O)NCc1cccc(F)c1
C=CC/C(F)=C(/F)C(F)(F)F C=CC[*:1] F/C(=C(\F)[*:1])C(F)(F)F
O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccon1 c1cc(no1)[*:1] O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)N[*:1]
CNc1ncnc(NCc2ccc(C)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ncnc(NCc2ccc(C)cc2)c1[*:1]
CC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(F)cc1
CC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(F)cc1
Cc1cnc(NC(=O)Cc2ccc3ccccc3c2)s1 Cc1cnc(s1)[*:1] O=C(Cc1ccc2ccccc2c1)N[*:1]
CCOC(=O)[C@H]1CCCN(c2c(O)c(=O)/c2=[NH+]\c2cc(C)cc(C)c2)C1 CCOC(=O)[*:1] Cc1cc(C)cc(c1)/[NH+]=c1/c(c(O)c1=O)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(c2c(O)c(=O)/c2=[NH+]\c2cc(C)cc(C)c2)C1 Cc1cc(C)cc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)c1c(O)c(=O)c1=[NH+][*:1]
CCCc1c(C(=O)N2CCC(C(=O)N(C)C)CC2)cnn1Cc1ccccc1 c1ccc(cc1)[*:1] CCCc1c(cnn1C[*:1])C(=O)N1CCC(CC1)C(=O)N(C)C
CCCc1c(C(=O)N2CCC(C(=O)N(C)C)CC2)cnn1Cc1ccccc1 CN(C)C(=O)[*:1] CCCc1c(cnn1Cc1ccccc1)C(=O)N1CCC(CC1)[*:1]
CCCc1c(C(=O)N2CCC(C(=O)N(C)C)CC2)cnn1Cc1ccccc1 c1ccc(cc1)C[*:1] CCCc1c(cnn1[*:1])C(=O)N1CCC(CC1)C(=O)N(C)C
CCCc1c(C(=O)N2CCC(C(=O)N(C)C)CC2)cnn1Cc1ccccc1 CCC[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)c1cnn(Cc2ccccc2)c1[*:1]
CCOc1ccc(F)c(C(=O)NC(CC)(CC)CC)c1F CCO[*:1] CCC(CC)(CC)NC(=O)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)NC(CC)(CC)CC)c1F CCC(CC)(CC)[*:1] CCOc1ccc(F)c(C(=O)N[*:1])c1F
Cc1cc(CNC(=O)N[C@@](C)(CO)C2CCCCC2)no1 Cc1cc(C[*:1])no1 C[C@@](CO)(NC(=O)N[*:1])C1CCCCC1
Cc1cc(CNC(=O)N[C@@](C)(CO)C2CCCCC2)no1 Cc1cc(no1)[*:1] C[C@@](CO)(NC(=O)NC[*:1])C1CCCCC1
Cc1cc(CNC(=O)N[C@@](C)(CO)C2CCCCC2)no1 C1CCC(CC1)[*:1] Cc1cc(CNC(=O)N[C@@](C)(CO)[*:1])no1
O=C(NCC1CCCCC1)c1cn(C2CC2)cc(C(=O)N2CCN(Cc3cccs3)CC2)c1=O c1csc(c1)[*:1] O=C(NCC1CCCCC1)c1cn(cc(C(=O)N2CCN(CC2)C[*:1])c1=O)C1CC1
O=C(NCC1CCCCC1)c1cn(C2CC2)cc(C(=O)N2CCN(Cc3cccs3)CC2)c1=O C1CCC(CC1)[*:1] O=C(NC[*:1])c1cn(cc(C(=O)N2CCN(CC2)Cc2cccs2)c1=O)C1CC1
O=C(NCC1CCCCC1)c1cn(C2CC2)cc(C(=O)N2CCN(Cc3cccs3)CC2)c1=O C1CCC(CC1)C[*:1] O=C(N[*:1])c1cn(cc(C(=O)N2CCN(CC2)Cc2cccs2)c1=O)C1CC1
O=C(NCC1CCCCC1)c1cn(C2CC2)cc(C(=O)N2CCN(Cc3cccs3)CC2)c1=O O=C(NCC1CCCCC1)[*:1] O=C(c1cn(cc(c1=O)[*:1])C1CC1)N1CCN(CC1)Cc1cccs1
O=C(NCC1CCCCC1)c1cn(C2CC2)cc(C(=O)N2CCN(Cc3cccs3)CC2)c1=O C1CC1[*:1] O=C(NCC1CCCCC1)c1cn(cc(C(=O)N2CCN(CC2)Cc2cccs2)c1=O)[*:1]
O=C(NCC1CCCCC1)c1cn(C2CC2)cc(C(=O)N2CCN(Cc3cccs3)CC2)c1=O c1csc(c1)C[*:1] O=C(NCC1CCCCC1)c1cn(cc(C(=O)N2CCN(CC2)[*:1])c1=O)C1CC1
COC(=O)/C([O-])=C1\C(C)=NC(=S)N[C@H]1c1ccccc1Cl COC(=O)[*:1] CC1=NC(=S)N[C@H](/C1=C(\[O-])[*:1])c1ccccc1Cl
COC(=O)/C([O-])=C1\C(C)=NC(=S)N[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)/C([O-])=C1\C(C)=NC(=S)N[C@@H]1[*:1]
CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)cc1 CNS(=O)(=O)[*:1] c1cc(ccc1C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2)C[*:1]
CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)cc1 CNS(=O)(=O)C[*:1] c1cc(ccc1C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
Cc1nc(-c2ccccc2)sc1CCNC(=O)C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(sc1CCNC(=O)C(=O)N[C@H](C)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1CCNC(=O)C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(sc1CCNC(=O)C(=O)N[C@H](C)c1ccccc1)[*:1]
Cc1nc(-c2ccccc2)sc1CCNC(=O)C(=O)N[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] Cc1nc(sc1CCNC(=O)C(=O)N[*:1])-c1ccccc1
CCC[C@H](C(=O)NC(CC)CC)c1ccccc1 CCC(CC)[*:1] CCC[C@H](C(=O)N[*:1])c1ccccc1
CCC[C@H](C(=O)NC(CC)CC)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](C(=O)NC(CC)CC)[*:1]
CCC[C@H](C(=O)NC(CC)CC)c1ccccc1 CCC[*:1] CCC(CC)NC(=O)[C@H](c1ccccc1)[*:1]
C[C@@H](SCC1=NC(=O)C2=C(c3ccccc3)CSC2=N1)C(=O)N1CCN(c2nccs2)CC1 c1ccc(cc1)[*:1] C[C@@H](SCC1=NC(=O)C2C(=N1)SCC=2[*:1])C(=O)N1CCN(CC1)c1nccs1
C[C@@H](SCC1=NC(=O)C2=C(c3ccccc3)CSC2=N1)C(=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] C[C@@H](SCC1=NC(=O)C2C(=N1)SCC=2c1ccccc1)C(=O)N1CCN(CC1)[*:1]
CN(C)S(=O)(=O)c1ccc(-c2ccc(F)c(O)c2)cc1 CN(C)S(=O)(=O)[*:1] Oc1cc(ccc1F)-c1ccc(cc1)[*:1]
FC(F)(F)[C@@H](Cl)Cc1ccccn1 FC(F)(F)[*:1] Cl[C@@H](Cc1ccccn1)[*:1]
C[C@@H](OC(=O)c1ccc(C(N)=O)cc1)c1nc2ccccc2n1C NC(=O)[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])c1nc2ccccc2n1C
C[C@H](NC[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cn1 CC(C)(C)[*:1] C[C@H](NC[C@H](O)c1ccc(cc1)[*:1])c1ccc(F)cn1
C[C@H](NC[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H](NC[C@H](O)c1ccc(cc1)C(C)(C)C)[*:1]
CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2F)o1 CC(C)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc(F)cc1F
CCOC(=O)C(C#N)=C1C=Cc2ccccc2N1CC CCOC(=O)[*:1] CCN1C(C=Cc2ccccc21)=C(C#N)[*:1]
CC(=O)Nc1ccc(SCC(=O)Nc2nnc(C(C)C)o2)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)SCC(=O)Nc1nnc(o1)[*:1]
CC(=O)Nc1ccc(SCC(=O)Nc2nnc(C(C)C)o2)cc1 CC(=O)N[*:1] CC(C)c1nnc(NC(=O)CSc2ccc(cc2)[*:1])o1
CC(C)C1=NN=C(C(=O)NCc2cccnc2OC2CCCC2)C1 C1CCC(C1)[*:1] CC(C)C1CC(=NN=1)C(=O)NCc1cccnc1O[*:1]
CC(C)C1=NN=C(C(=O)NCc2cccnc2OC2CCCC2)C1 CC(C)[*:1] O=C(NCc1cccnc1OC1CCCC1)C1CC(=NN=1)[*:1]
CC(C)C1=NN=C(C(=O)NCc2cccnc2OC2CCCC2)C1 C1CCC(C1)O[*:1] CC(C)C1CC(=NN=1)C(=O)NCc1cccnc1[*:1]
COc1ccccc1C(=O)N/C(=C/c1ccco1)C(=O)Nc1nccs1 c1csc(n1)[*:1] COc1ccccc1C(=O)N/C(=C/c1ccco1)C(=O)N[*:1]
COc1ccccc1C(=O)N/C(=C/c1ccco1)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] COc1ccccc1C(=O)N/C(=C/c1ccco1)[*:1]
COc1ccccc1C(=O)N/C(=C/c1ccco1)C(=O)Nc1nccs1 c1coc(c1)[*:1] COc1ccccc1C(=O)NC(=C[*:1])C(=O)Nc1nccs1
COc1ccccc1C(=O)N/C(=C/c1ccco1)C(=O)Nc1nccs1 COc1ccccc1[*:1] O=C(Nc1nccs1)/C(=C\c1ccco1)NC(=O)[*:1]
N#C[C@]1(NC2CC2)CC[C@@H](n2ncc3ccccc32)C1 C1CC1N[*:1] N#C[C@@]1(CC[C@H](C1)n1ncc2ccccc21)[*:1]
N#C[C@]1(NC2CC2)CC[C@@H](n2ncc3ccccc32)C1 C1CC1[*:1] N#C[C@@]1(CC[C@H](C1)n1ncc2ccccc21)N[*:1]
CCc1cc(CNC(=O)N2CCC(OCc3ccccc3C)CC2)on1 CCc1cc(C[*:1])on1 Cc1ccccc1COC1CCN(CC1)C(=O)N[*:1]
CCc1cc(CNC(=O)N2CCC(OCc3ccccc3C)CC2)on1 CCc1cc(on1)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)NC[*:1]
CCc1cc(CNC(=O)N2CCC(OCc3ccccc3C)CC2)on1 Cc1ccccc1[*:1] CCc1cc(CNC(=O)N2CCC(CC2)OC[*:1])on1
CCc1cc(CNC(=O)N2CCC(OCc3ccccc3C)CC2)on1 Cc1ccccc1C[*:1] CCc1cc(CNC(=O)N2CCC(CC2)O[*:1])on1
COCCn1ccc2ccc(NC(=O)C(=O)N3CCCCCCC3)cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])C(=O)N1CCCCCCC1
COCCn1ccc2ccc(NC(=O)C(=O)N3CCCCCCC3)cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)C(=O)N1CCCCCCC1
CCCc1nnc(NC(=O)CSc2nnc(-c3ccco3)n2C)s1 CCCc1nnc(s1)[*:1] Cn1c(nnc1-c1ccco1)SCC(=O)N[*:1]
CCCc1nnc(NC(=O)CSc2nnc(-c3ccco3)n2C)s1 CCC[*:1] Cn1c(nnc1-c1ccco1)SCC(=O)Nc1nnc(s1)[*:1]
CCCc1nnc(NC(=O)CSc2nnc(-c3ccco3)n2C)s1 c1coc(c1)[*:1] CCCc1nnc(NC(=O)CSc2nnc(n2C)[*:1])s1
O=C([O-])Cc1csc(SC[C@@H]2Cc3ccccc3S2)n1 O=C([O-])[*:1] c1ccc2S[C@H](CSc3nc(cs3)C[*:1])Cc2c1
O=C([O-])Cc1csc(SC[C@@H]2Cc3ccccc3S2)n1 O=C([O-])C[*:1] c1ccc2S[C@H](CSc3nc(cs3)[*:1])Cc2c1
C[C@@H](c1ccc(C(F)(F)F)cc1)[S@@](=O)Cc1cn2ccccc2n1 FC(F)(F)[*:1] C[C@@H](c1ccc(cc1)[*:1])[S@@](=O)Cc1cn2ccccc2n1
C[C@H]1CCCCN1C(=O)CO/N=C/c1ccc(N2CCOCC2)cc1 C1CN(CCO1)[*:1] C[C@H]1CCCCN1C(=O)CO/N=C/c1ccc(cc1)[*:1]
CC(C)CC1=NN=C2CCN(C(=O)c3ccc4ncsc4c3)C[C@H]21 CC(C)[*:1] O=C(c1ccc2ncsc2c1)N1CCC2=NN=C(C[*:1])[C@@H]2C1
CC(C)CC1=NN=C2CCN(C(=O)c3ccc4ncsc4c3)C[C@H]21 CC(C)C[*:1] O=C(c1ccc2ncsc2c1)N1CCC2=NN=C([C@@H]2C1)[*:1]
Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)Nc3ccccn3)ccc21 O=C(C[*:1])N1CCCC1 Cn1c(=O)n(C[*:1])c(=O)c2cc(ccc21)S(=O)(=O)Nc1ccccn1
Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)Nc3ccccn3)ccc21 O=C(CC[*:1])N1CCCC1 Cn1c(=O)n(c(=O)c2cc(ccc21)S(=O)(=O)Nc1ccccn1)[*:1]
Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)Nc3ccccn3)ccc21 c1ccc(nc1)[*:1] Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(ccc21)S(=O)(=O)N[*:1]
Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)Nc3ccccn3)ccc21 O=C(N1CCCC1)[*:1] Cn1c(=O)n(CC[*:1])c(=O)c2cc(ccc21)S(=O)(=O)Nc1ccccn1
Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)Nc3ccccn3)ccc21 O=S(=O)(Nc1ccccn1)[*:1] Cn1c(=O)n(CCC(=O)N2CCCC2)c(=O)c2cc(ccc21)[*:1]
CCN(C(=O)c1cnc([C@H]2CCCO2)s1)[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)c1cnc(s1)[C@H]1CCCO1)[C@@H](C)[*:1]
CCN(C(=O)c1cnc([C@H]2CCCO2)s1)[C@@H](C)c1ccc(F)cc1 C1CO[C@H](C1)[*:1] CCN(C(=O)c1cnc(s1)[*:1])[C@@H](C)c1ccc(F)cc1
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 O=[N+]([O-])[*:1] CN(Cc1cccc(c1)[*:1])C(=O)[C@H]1CC(=O)N(C1)c1cccc2ccccc12
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 O=[N+]([O-])c1cccc(c1)C[*:1] CN(C(=O)[C@H]1CC(=O)N(C1)c1cccc2ccccc12)[*:1]
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 O=[N+]([O-])c1cccc(c1)[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(C1)c1cccc2ccccc12
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 c1ccc2c(cccc2c1)[*:1] CN(Cc1cccc(c1)[N+](=O)[O-])C(=O)[C@H]1CC(=O)N(C1)[*:1]
COC[C@H](C)N/C(N)=[NH+]/C[C@H]1CN2CCCC[C@@H]2CO1 COC[*:1] C[C@H](N/C(N)=[NH+]/C[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
COC[C@H](C)N/C(N)=[NH+]/C[C@H]1CN2CCCC[C@@H]2CO1 COC[C@H](C)[*:1] N/C(N[*:1])=[NH+]\C[C@H]1CN2CCCC[C@@H]2CO1
NC(=O)COC(=O)c1cc(I)ccc1N NC(=O)[*:1] Nc1ccc(I)cc1C(=O)OC[*:1]
NC(=O)COC(=O)c1cc(I)ccc1N NC(=O)C[*:1] Nc1ccc(I)cc1C(=O)O[*:1]
CCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1ccoc1C Fc1ccc(cc1)C[*:1] CCN(CCC(=O)N[*:1])C(=O)c1ccoc1C
CCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1ccoc1C Cc1occc1[*:1] CCN(CCC(=O)NCc1ccc(F)cc1)C(=O)[*:1]
CCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1ccoc1C Fc1ccc(cc1)[*:1] CCN(CCC(=O)NC[*:1])C(=O)c1ccoc1C
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NCc2ccncc2)cc1 c1cc(ccn1)C[*:1] O=[N+]([O-])c1ccc(cc1)[C@H](O)[C@@H](CO)N[*:1]
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NCc2ccncc2)cc1 O=[N+]([O-])[*:1] OC[C@@H](NCc1ccncc1)[C@@H](O)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NCc2ccncc2)cc1 c1cc(ccn1)[*:1] O=[N+]([O-])c1ccc(cc1)[C@H](O)[C@@H](CO)NC[*:1]
CCSc1ccc(NC(=O)NC2(CO)CCCC2)cn1 CCS[*:1] O=C(Nc1ccc(nc1)[*:1])NC1(CO)CCCC1
COc1cccc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1OC C1CC1[*:1] COc1cccc(C(=O)N([C@H]2CCCc3ccccc32)[*:1])c1OC
O=C(c1ccccc1Cn1cncn1)N1CCC(n2cncn2)CC1 c1ncn(n1)[*:1] O=C(c1ccccc1Cn1cncn1)N1CCC(CC1)[*:1]
O=C(c1ccccc1Cn1cncn1)N1CCC(n2cncn2)CC1 c1ncn(C[*:1])n1 O=C(c1ccccc1[*:1])N1CCC(CC1)n1cncn1
O=C(c1ccccc1Cn1cncn1)N1CCC(n2cncn2)CC1 c1ncn(n1)[*:1] O=C(c1ccccc1C[*:1])N1CCC(CC1)n1cncn1
CC(C)(C)c1ccc(CNC(=O)c2cnc([C@@H]3CCCO3)s2)cc1 CC(C)(C)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cnc(s1)[C@@H]1CCCO1
CCNC(=O)c1cccc(NC(=O)c2nc3nc(C)cc(C)n3n2)c1 CCNC(=O)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Nc1cccc(c1)[*:1]
Cc1nc2sccn2c1CN1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 Cc1nc2sccn2c1[*:1] O=C(C1CC[NH+](CC1)C1CCN(CC1)C[*:1])N1CCOCC1
Cc1nc2sccn2c1CN1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 O=C(N1CCOCC1)[*:1] Cc1nc2sccn2c1CN1CCC(CC1)[NH+]1CCC(CC1)[*:1]
Cc1nc2sccn2c1CN1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 Cc1nc2sccn2c1C[*:1] O=C(C1CC[NH+](CC1)C1CCN(CC1)[*:1])N1CCOCC1
COC(C)(C)CNC(=O)C(=O)Nc1ccc2[nH]ncc2c1 COC(C)(C)C[*:1] O=C(Nc1ccc2[nH]ncc2c1)C(=O)N[*:1]
COC(C)(C)CNC(=O)C(=O)Nc1ccc2[nH]ncc2c1 COC(C)(C)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2[nH]ncc2c1
COc1cccc(-c2cccc(C(=O)N3CC[C@]4(CCCN(C)C4=O)C3)c2)c1 COc1cccc(c1)[*:1] CN1CCC[C@]2(CCN(C2)C(=O)c2cccc(c2)[*:1])C1=O
Cn1nc2n(c1=O)CCN([C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 Fc1ccc(cc1)[*:1] Cn1nc2CN(CCn2c1=O)[C@@H](C(=O)NC1CC1)[*:1]
Cn1nc2n(c1=O)CCN([C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 C1CC1[*:1] Cn1nc2CN(CCn2c1=O)[C@@H](C(=O)N[*:1])c1ccc(F)cc1
Cn1nc2n(c1=O)CCN([C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 O=C(NC1CC1)[*:1] Cn1nc2CN(CCn2c1=O)[C@@H](c1ccc(F)cc1)[*:1]
N#CCS[C@H]1N=NC(=O)[C@@H]2C[C@H](c3cccs3)NN21 N#CC[*:1] O=C1N=N[C@H](S[*:1])N2N[C@H](C[C@@H]12)c1cccs1
N#CCS[C@H]1N=NC(=O)[C@@H]2C[C@H](c3cccs3)NN21 c1csc(c1)[*:1] N#CCS[C@H]1N=NC(=O)[C@@H]2C[C@H](NN21)[*:1]
N#CCS[C@H]1N=NC(=O)[C@@H]2C[C@H](c3cccs3)NN21 N#CCS[*:1] O=C1N=N[C@@H](N2N[C@H](C[C@@H]12)c1cccs1)[*:1]
CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2C(C)(C)C)CC1 CN(C)C[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)NC1CC[NH+](CC1)C[*:1]
CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2C(C)(C)C)CC1 CN(C)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)NC1CC[NH+](CC1)CC[*:1]
CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2C(C)(C)C)CC1 CN(C)CC[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)NC1CC[NH+](CC1)[*:1]
CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2C(C)(C)C)CC1 CC(C)(C)[*:1] CN(C)CC[NH+]1CCC(CC1)NC(=O)C(=O)Nc1ccnn1[*:1]
CCOc1ccc(NC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC CN(C)S(=O)(=O)[*:1] COc1ccc(cc1OC)CC(=O)Nc1ccc(cc1)[*:1]
Cn1nc(-c2ccccc2)c([N+](=O)[O-])c1NCc1ccccc1 c1ccc(cc1)C[*:1] Cn1nc(-c2ccccc2)c(c1N[*:1])[N+](=O)[O-]
Cn1nc(-c2ccccc2)c([N+](=O)[O-])c1NCc1ccccc1 c1ccc(cc1)[*:1] Cn1nc(c(c1NCc1ccccc1)[N+](=O)[O-])[*:1]
Cn1nc(-c2ccccc2)c([N+](=O)[O-])c1NCc1ccccc1 O=[N+]([O-])[*:1] Cn1nc(-c2ccccc2)c(c1NCc1ccccc1)[*:1]
Cn1nc(-c2ccccc2)c([N+](=O)[O-])c1NCc1ccccc1 c1ccc(cc1)[*:1] Cn1nc(-c2ccccc2)c(c1NC[*:1])[N+](=O)[O-]
CC(C)C[C@H](C[NH3+])C[NH2+]C[C@]1(C)CCCO1 CC(C)[*:1] C[C@]1(CCCO1)C[NH2+]C[C@@H](C[NH3+])C[*:1]
CC(C)C[C@H](C[NH3+])C[NH2+]C[C@]1(C)CCCO1 CC(C)C[*:1] C[C@]1(CCCO1)C[NH2+]C[C@@H](C[NH3+])[*:1]
C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccccc1C#N N#Cc1ccccc1[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C(=O)N[*:1]
C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccccc1C#N c1coc(c1)[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[*:1])C(=O)Nc1ccccc1C#N
C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccccc1C#N c1coc(c1)C[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1[*:1])C(=O)Nc1ccccc1C#N
Cn1ncc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1-n1cccc1 c1ccn(c1)[*:1] Cn1ncc(C(=O)NCc2ccc(cc2)C[NH+](C)C)c1[*:1]
CCOC(=O)[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 CCOC(=O)[*:1] O=[N+]([O-])c1cc(ccc1Br)CN1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] CCOC(=O)[C@@H]1CCCN(Cc2ccc(Br)c(c2)[*:1])C1
CCN(C(=O)[C@H]1CCO[C@H]1C)c1ccccc1C(=O)OC COC(=O)[*:1] CCN(C(=O)[C@H]1CCO[C@H]1C)c1ccccc1[*:1]
CN(C(=O)COC(=O)c1csc(-c2ccsc2)n1)[C@]1(c2ccccc2Cl)CCCCC1=O c1cc(cs1)-c1nc(cs1)[*:1] CN(C(=O)COC(=O)[*:1])[C@@]1(CCCCC1=O)c1ccccc1Cl
CN(C(=O)COC(=O)c1csc(-c2ccsc2)n1)[C@]1(c2ccccc2Cl)CCCCC1=O c1cc(cs1)[*:1] CN(C(=O)COC(=O)c1csc(n1)[*:1])[C@@]1(CCCCC1=O)c1ccccc1Cl
CN(C(=O)COC(=O)c1csc(-c2ccsc2)n1)[C@]1(c2ccccc2Cl)CCCCC1=O Clc1ccccc1[*:1] CN(C(=O)COC(=O)c1csc(n1)-c1ccsc1)[C@@]1(CCCCC1=O)[*:1]
N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCN(CC1)c1ccccc1)[*:1]
N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)C(=O)NCCC[NH+]1CCN(CC1)[*:1]
CNS(=O)(=O)c1cc(NC(=O)NCCCc2ccccc2)ccc1C c1ccc(cc1)[*:1] CNS(=O)(=O)c1cc(ccc1C)NC(=O)NCCC[*:1]
CNS(=O)(=O)c1cc(NC(=O)NCCCc2ccccc2)ccc1C c1ccc(cc1)CC[*:1] CNS(=O)(=O)c1cc(ccc1C)NC(=O)NC[*:1]
CNS(=O)(=O)c1cc(NC(=O)NCCCc2ccccc2)ccc1C CNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NCCCc1ccccc1
CNS(=O)(=O)c1cc(NC(=O)NCCCc2ccccc2)ccc1C c1ccc(cc1)C[*:1] CNS(=O)(=O)c1cc(ccc1C)NC(=O)NCC[*:1]
CSCC[C@H](NC(N)=O)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 CSC[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)[C@H](C[*:1])NC(N)=O
CSCC[C@H](NC(N)=O)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 NC(=O)N[*:1] CSCC[C@H](C(=O)N[C@@H](C)c1cc(C)cc(C)c1)[*:1]
CSCC[C@H](NC(N)=O)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 CSCC[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)[C@@H](NC(N)=O)[*:1]
Cc1cc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)sc1C O=[N+]([O-])[*:1] Cc1cc(sc1C)S(=O)(=O)N(C)c1cccc(c1)[*:1]
Cc1cc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)sc1C Cc1cc(sc1C)[*:1] CN(c1cccc(c1)[N+](=O)[O-])S(=O)(=O)[*:1]
CC(C)c1ccc([C@@H]2C[C@@H]2/C([O-])=N/S(=O)(=O)CCCF)cc1 FCCC[*:1] CC(C)c1ccc(cc1)[C@@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)[*:1]
CC(C)c1ccc([C@@H]2C[C@@H]2/C([O-])=N/S(=O)(=O)CCCF)cc1 CC(C)[*:1] O=S(=O)(CCCF)/N=C(\[O-])[C@H]1C[C@H]1c1ccc(cc1)[*:1]
CC(C)c1ccc([C@@H]2C[C@@H]2/C([O-])=N/S(=O)(=O)CCCF)cc1 FCC[*:1] CC(C)c1ccc(cc1)[C@@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)C[*:1]
CCNC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)Cc1c(C)nc2ccccc2c1[*:1]
CCNC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 CCNC(=O)C[*:1] Cc1nc2ccccc2c(-c2ccccc2)c1[*:1]
CCNC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 CCNC(=O)[*:1] Cc1nc2ccccc2c(-c2ccccc2)c1C[*:1]
Cc1csc(SCc2ccc(C(=O)N3CCO[C@H](C)C3)cc2)n1 Cc1csc(n1)S[*:1] C[C@@H]1CN(CCO1)C(=O)c1ccc(cc1)C[*:1]
Cc1csc(SCc2ccc(C(=O)N3CCO[C@H](C)C3)cc2)n1 Cc1csc(n1)[*:1] C[C@@H]1CN(CCO1)C(=O)c1ccc(cc1)CS[*:1]
CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(C#N)c2)s1 NC(=O)[*:1] CC(C)c1cc(c(NC(=O)c2cccc(C#N)c2)s1)[*:1]
CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(C#N)c2)s1 CC(C)[*:1] N#Cc1cccc(c1)C(=O)Nc1sc(cc1C(N)=O)[*:1]
C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 c1ccc2O[C@@H](COc2c1)[*:1] C[C@@H](c1nc2sc3C[C@H](C)CCc3c2c(=O)[nH]1)N1CCN(CC1)C(=O)[*:1]
O=C1CC2(CCC2)NC(=O)N1c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C1CC2(CCC2)NC(=O)N1c1ccccc1[*:1]
O=C([O-])[C@@H](CCO)Cc1ccc(F)cc1 O=C([O-])[*:1] OCC[C@@H](Cc1ccc(F)cc1)[*:1]
O=C([O-])[C@@H](CCO)Cc1ccc(F)cc1 OCC[*:1] O=C([O-])[C@@H](Cc1ccc(F)cc1)[*:1]
CN(CCNC(=O)Nc1ccccc1CC(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CCNC(=O)Nc1ccccc1CC(N)=O)[*:1]
CN(CCNC(=O)Nc1ccccc1CC(N)=O)c1ccccc1 NC(=O)[*:1] CN(CCNC(=O)Nc1ccccc1C[*:1])c1ccccc1
CN(CCNC(=O)Nc1ccccc1CC(N)=O)c1ccccc1 NC(=O)C[*:1] CN(CCNC(=O)Nc1ccccc1[*:1])c1ccccc1
CN(CCNC(=O)Nc1ccccc1CC(N)=O)c1ccccc1 CN(c1ccccc1)[*:1] NC(=O)Cc1ccccc1NC(=O)NCC[*:1]
COc1cccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c1 COc1cccc(c1)[*:1] O=C(Nc1cccc(c1)-c1cc2ccccc2oc1=O)[*:1]
COc1ccccc1COc1cccc(NC(=O)N[C@H]2C[C@@H]2C)c1C COc1ccccc1[*:1] Cc1c(cccc1OC[*:1])NC(=O)N[C@H]1C[C@@H]1C
C[NH2+][C@H](Cc1cccnc1)[C@H]1CCO[C@]2(CCOC2)C1 c1cncc(c1)[*:1] C[NH2+][C@H](C[*:1])[C@H]1CCO[C@]2(CCOC2)C1
Cc1nccn1-c1cncc(N(C)CCn2cnnc2)n1 c1nncn1C[*:1] Cc1nccn1-c1cncc(n1)N(C)C[*:1]
Cc1nccn1-c1cncc(N(C)CCn2cnnc2)n1 c1nncn1[*:1] Cc1nccn1-c1cncc(n1)N(C)CC[*:1]
Cc1nccn1-c1cncc(N(C)CCn2cnnc2)n1 Cc1nccn1[*:1] CN(CCn1cnnc1)c1cncc(n1)[*:1]
Cc1nccn1-c1cncc(N(C)CCn2cnnc2)n1 c1nncn1CC[*:1] Cc1nccn1-c1cncc(n1)N(C)[*:1]
COc1cccc(COc2ccc(-c3nc(C(=O)N4CCN(C(C)=O)CC4)cs3)c(F)c2)c1 COc1cccc(c1)C[*:1] CC(=O)N1CCN(CC1)C(=O)c1csc(n1)-c1ccc(cc1F)O[*:1]
COc1cccc(COc2ccc(-c3nc(C(=O)N4CCN(C(C)=O)CC4)cs3)c(F)c2)c1 CC(=O)N1CCN(CC1)C(=O)[*:1] COc1cccc(c1)COc1ccc(-c2nc(cs2)[*:1])c(F)c1
COc1cccc(COc2ccc(-c3nc(C(=O)N4CCN(C(C)=O)CC4)cs3)c(F)c2)c1 COc1cccc(c1)CO[*:1] CC(=O)N1CCN(CC1)C(=O)c1csc(n1)-c1ccc(cc1F)[*:1]
COc1cccc(COc2ccc(-c3nc(C(=O)N4CCN(C(C)=O)CC4)cs3)c(F)c2)c1 COc1cccc(c1)[*:1] CC(=O)N1CCN(CC1)C(=O)c1csc(n1)-c1ccc(cc1F)OC[*:1]
CC(C)c1nc(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)n(C)n1 CC(C)c1nc(n(C)n1)[*:1] C[C@@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
CC(C)c1nc(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)n(C)n1 CC(C)[*:1] C[C@@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)Nc1nc(nn1C)[*:1]
c1cncc(-c2nc(N3CCCC3)c3c4c(sc3n2)CCCC4)c1 C1CCN(C1)[*:1] c1cncc(c1)-c1nc(c2c3CCCCc3sc2n1)[*:1]
c1cncc(-c2nc(N3CCCC3)c3c4c(sc3n2)CCCC4)c1 c1cncc(c1)[*:1] C1CCc2c(C1)sc1nc(nc(c21)N1CCCC1)[*:1]
C[C@H]1C[C@@H](NC(=O)N(CCO)C2CC2)CN1c1ccccc1 OCC[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)N(C1CC1)[*:1]
C[C@H]1C[C@@H](NC(=O)N(CCO)C2CC2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1[*:1])NC(=O)N(CCO)C1CC1
C[C@H]1C[C@@H](NC(=O)N(CCO)C2CC2)CN1c1ccccc1 C1CC1[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)N(CCO)[*:1]
COc1ccc(C(=O)N2CC=C(c3ccccc3Cl)CC2)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)C(=O)N1CC=C(CC1)[*:1]
O=C(Nc1ccnn1Cc1cccc2ccccc12)c1cccnc1Cl Clc1ncccc1[*:1] O=C(Nc1ccnn1Cc1cccc2ccccc12)[*:1]
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O c1coc(c1)[*:1] CCOC(=O)c1c(csc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O)[*:1]
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O O=c1c(Cl)c(Cl)cnn1[*:1] CCOC(=O)c1c(csc1NC(=O)C[*:1])-c1ccco1
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O CCOC(=O)[*:1] O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1scc(-c2ccco2)c1[*:1]
C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN([C@@H](C)C(=O)N1CCOCC1)C2=O FC(F)(F)[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CC=21)[C@@H](C)C(=O)N1CCOCC1)c1ccccc1[*:1]
C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN([C@@H](C)C(=O)N1CCOCC1)C2=O C[C@@H](C(=O)N1CCOCC1)[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CC=21)[*:1])c1ccccc1C(F)(F)F
C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN([C@@H](C)C(=O)N1CCOCC1)C2=O FC(F)(F)c1ccccc1[*:1] C=CCN1C(=O)N[C@@H](C2C(=O)N(CC=21)[C@@H](C)C(=O)N1CCOCC1)[*:1]
C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN([C@@H](C)C(=O)N1CCOCC1)C2=O O=C(N1CCOCC1)[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CC=21)[C@@H](C)[*:1])c1ccccc1C(F)(F)F
C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN([C@@H](C)C(=O)N1CCOCC1)C2=O C=CC[*:1] C[C@@H](C(=O)N1CCOCC1)N1CC2=C(C1=O)[C@@H](NC(=O)N2[*:1])c1ccccc1C(F)(F)F
COc1ccc(C)cc1NC(=O)[C@H](C)SCc1ccc(C(N)=O)cc1 NC(=O)[*:1] COc1ccc(C)cc1NC(=O)[C@H](C)SCc1ccc(cc1)[*:1]
CC(C)[C@@H](C)NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl CC(C)[*:1] C[C@@H](NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)[*:1]
CC(C)[C@@H](C)NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl CC(C)[C@@H](C)[*:1] O=c1[nH]c2cc(Cl)c(cc2o1)S(=O)(=O)N[*:1]
COC(=O)CN(C(=O)c1cccc(OC(F)F)c1)C(C)C COC(=O)[*:1] CC(C)N(C[*:1])C(=O)c1cccc(c1)OC(F)F
COC(=O)CN(C(=O)c1cccc(OC(F)F)c1)C(C)C CC(C)[*:1] COC(=O)CN(C(=O)c1cccc(c1)OC(F)F)[*:1]
COC(=O)CN(C(=O)c1cccc(OC(F)F)c1)C(C)C FC(F)O[*:1] COC(=O)CN(C(=O)c1cccc(c1)[*:1])C(C)C
COC(=O)CN(C(=O)c1cccc(OC(F)F)c1)C(C)C FC(F)[*:1] COC(=O)CN(C(=O)c1cccc(c1)O[*:1])C(C)C
COC(=O)CN(C(=O)c1cccc(OC(F)F)c1)C(C)C COC(=O)C[*:1] CC(C)N(C(=O)c1cccc(c1)OC(F)F)[*:1]
COc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] COc1ccc(cc1[*:1])NC(=O)c1cc(Cl)c2OCCOc2c1
CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](C)C3)CC2=O)cc1 C[C@H]1CN(CCO1)C(=O)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)N1C[C@@H](CC1=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](C)C3)CC2=O)cc1 CCN(CC)S(=O)(=O)[*:1] C[C@H]1CN(CCO1)C(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
Cc1cccnc1[C@@H](NC(=O)NC[C@@H](C)CCO)C(C)C CC(C)[*:1] Cc1cccnc1[C@@H](NC(=O)NC[C@@H](C)CCO)[*:1]
Cc1cccnc1[C@@H](NC(=O)NC[C@@H](C)CCO)C(C)C C[C@@H](CCO)[*:1] Cc1cccnc1[C@@H](NC(=O)NC[*:1])C(C)C
Cc1cccnc1[C@@H](NC(=O)NC[C@@H](C)CCO)C(C)C OCC[*:1] Cc1cccnc1[C@@H](NC(=O)NC[C@@H](C)[*:1])C(C)C
Cc1cccnc1[C@@H](NC(=O)NC[C@@H](C)CCO)C(C)C Cc1cccnc1[*:1] CC(C)[C@H](NC(=O)NC[C@@H](C)CCO)[*:1]
Cc1cccnc1[C@@H](NC(=O)NC[C@@H](C)CCO)C(C)C C[C@@H](CCO)C[*:1] Cc1cccnc1[C@@H](NC(=O)N[*:1])C(C)C
O=C(COc1ccccc1[N+](=O)[O-])NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O Brc1ccc(cc1)[*:1] O=C(COc1ccccc1[N+](=O)[O-])NN[C@@H]1CC(=O)N(C1=O)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])NN[C@@H]1CC(=O)N(C1=O)c1ccc(Br)cc1
O=C(COc1ccccc1[N+](=O)[O-])NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O O=[N+]([O-])c1ccccc1[*:1] O=C(CO[*:1])NN[C@@H]1CC(=O)N(C1=O)c1ccc(Br)cc1
O=c1cccc(Cl)n1CCCSCc1ccccc1 c1ccc(cc1)[*:1] O=c1cccc(Cl)n1CCCSC[*:1]
CC(C)(C)C(=O)COC(=O)c1cc2ccccc2cc1O CC(C)(C)C(=O)C[*:1] O=C(O[*:1])c1cc2ccccc2cc1O
CC(C)(C)C(=O)COC(=O)c1cc2ccccc2cc1O CC(C)(C)C(=O)[*:1] O=C(OC[*:1])c1cc2ccccc2cc1O
CC(C)(C)C(=O)COC(=O)c1cc2ccccc2cc1O CC(C)(C)[*:1] O=C(OCC(=O)[*:1])c1cc2ccccc2cc1O
COCCN(CCO)C(=O)Nc1ccc2c(c1)COC2 OCC[*:1] COCCN(C(=O)Nc1ccc2COCc2c1)[*:1]
COCCN(CCO)C(=O)Nc1ccc2c(c1)COC2 COCC[*:1] O=C(Nc1ccc2COCc2c1)N(CCO)[*:1]
COCCN(CCO)C(=O)Nc1ccc2c(c1)COC2 COC[*:1] O=C(Nc1ccc2COCc2c1)N(CCO)C[*:1]
Cc1ccc([C@@H]2COCCN2Cc2scnc2C)o1 Cc1ncsc1[*:1] Cc1ccc(o1)[C@@H]1COCCN1C[*:1]
Cc1ccc([C@@H]2COCCN2Cc2scnc2C)o1 Cc1ccc(o1)[*:1] Cc1ncsc1CN1CCOC[C@H]1[*:1]
CCOc1ccc2nc(NC(=O)Cn3nc(-n4nc(C)cc4C)ccc3=O)sc2c1 CCO[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CC(=O)Nc2nc3ccc(cc3s2)[*:1])n1
CCOc1ccc2nc(NC(=O)Cn3nc(-n4nc(C)cc4C)ccc3=O)sc2c1 Cc1cc(C)n(n1)[*:1] CCOc1ccc2nc(NC(=O)Cn3nc(ccc3=O)[*:1])sc2c1
C[C@H]1CCC[C@@H](n2cnnc2SCC(=O)[O-])C1 O=C([O-])C[*:1] C[C@H]1CCC[C@H](C1)n1cnnc1S[*:1]
C[C@H]1CCC[C@@H](n2cnnc2SCC(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CCC[C@H](C1)n1cnnc1SC[*:1]
C[C@H]1CCC[C@@H](n2cnnc2SCC(=O)[O-])C1 O=C([O-])CS[*:1] C[C@H]1CCC[C@H](C1)n1cnnc1[*:1]
O=C(Nc1ccc(Cl)cc1)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 Clc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CC(=NO1)c1ccc(Cl)c(Cl)c1
O=C(Cc1cccc(O)c1)NCc1ccc(-c2cccnc2)cc1 Oc1cccc(c1)[*:1] O=C(C[*:1])NCc1ccc(cc1)-c1cccnc1
O=C(Cc1cccc(O)c1)NCc1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] O=C(Cc1cccc(O)c1)NCc1ccc(cc1)[*:1]
O=C(Cc1cccc(O)c1)NCc1ccc(-c2cccnc2)cc1 Oc1cccc(c1)C[*:1] O=C(NCc1ccc(cc1)-c1cccnc1)[*:1]
CCOc1ccc(NC(=O)CC)c(C)c1 CCO[*:1] CCC(=O)Nc1ccc(cc1C)[*:1]
CCOc1ccc(NC(=O)CC)c(C)c1 CCC(=O)N[*:1] CCOc1ccc(c(C)c1)[*:1]
CC(C)(C)[NH2+]C[C@@H]1CCCc2cccnc21 CC(C)(C)[*:1] c1cnc2c(c1)CCC[C@H]2C[NH2+][*:1]
CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H](C)c1ccc(CCBr)cc1 c1ccc(cc1)[*:1] CC(=O)NC(=C[*:1])C(=O)N[C@@H](C)c1ccc(cc1)CCBr
CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H](C)c1ccc(CCBr)cc1 CC(=O)N[*:1] C[C@H](NC(=O)C(=Cc1ccccc1)[*:1])c1ccc(cc1)CCBr
CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H](C)c1ccc(CCBr)cc1 BrCC[*:1] CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
COc1ccccc1[C@@H](C)CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 COc1ccccc1[*:1] C[C@@H](CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CCc1nn(C)cc1NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)c1c[nH]nc1[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1 FC(F)(F)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CC[NH+](CC1)Cc1cccc(c1)[*:1]
O=C(NC[C@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1)c1ccc(F)cc1F Clc1ccc(cc1Cl)[*:1] O=C(NC[C@H]1CN(C(=O)O1)[*:1])c1ccc(F)cc1F
O=C(NC[C@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C1O[C@@H](CNC(=O)[*:1])CN1c1ccc(Cl)c(Cl)c1
CSC[C@@H](C)N(C)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 CSC[*:1] C[C@@H](N(C)C(=O)NCc1cc(Cl)c2OCCCOc2c1)[*:1]
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCC1)c1ccccc1[*:1]
CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cc(C)sc2C)c1 CC(=O)N[*:1] Cc1cc(c(C)s1)[C@H](C)[NH2+]CCOc1cccc(c1)[*:1]
CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cc(C)sc2C)c1 Cc1cc(c(C)s1)[*:1] CC(=O)Nc1cccc(c1)OCC[NH2+][C@@H](C)[*:1]
Cc1ccc(Cl)c(OC(=O)/C=C/c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(Cl)c(c1)OC(=O)C=C[*:1]
[NH3+][C@H](CO)c1cc(C(F)(F)F)cc(Cl)c1Cl FC(F)(F)[*:1] [NH3+][C@H](CO)c1cc(cc(Cl)c1Cl)[*:1]
C[C@H]1CSC(SCCC(N)=O)=N1 NC(=O)C[*:1] C[C@H]1CSC(=N1)SC[*:1]
C[C@H]1CSC(SCCC(N)=O)=N1 NC(=O)[*:1] C[C@H]1CSC(=N1)SCC[*:1]
Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cnc(C3CC3)s2)n1 C1CC1[*:1] Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cnc(s2)[*:1])n1
Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cnc(C3CC3)s2)n1 Cc1cc(C)n(n1)[*:1] O=C(c1cnc(s1)C1CC1)N1CCC[C@H]1C[*:1]
C[C@]1(NC(=O)COC(=O)c2ccc(C(N)=O)cc2)CCS(=O)(=O)C1 NC(=O)[*:1] C[C@@]1(CCS(=O)(=O)C1)NC(=O)COC(=O)c1ccc(cc1)[*:1]
C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1OC C=CC[*:1] COc1ccccc1-c1nnc(SCc2ccc(F)cc2)n1[*:1]
C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1OC COc1ccccc1[*:1] C=CCn1c(nnc1[*:1])SCc1ccc(F)cc1
C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1OC Fc1ccc(cc1)C[*:1] C=CCn1c(nnc1-c1ccccc1OC)S[*:1]
C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1OC Fc1ccc(cc1)[*:1] C=CCn1c(nnc1-c1ccccc1OC)SC[*:1]
C[C@@H]1CN(CCC2([NH3+])CCC2)[C@H](C)CO1 [NH3+]C1(CCC1)[*:1] C[C@@H]1CN(CC[*:1])[C@H](C)CO1
CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C)c2)C12CCC2 CCO[*:1] Cc1cccc(c1)NC(=O)C(=O)N[C@@H]1C[C@@H](C12CCC2)[*:1]
CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C)c2)C12CCC2 Cc1cccc(c1)[*:1] CCO[C@H]1C[C@@H](NC(=O)C(=O)N[*:1])C12CCC2
CCCc1nnsc1C(=O)NCC1CCN(C(=O)c2snnc2C)CC1 CCC[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)c1snnc1[*:1]
CCCc1nnsc1C(=O)NCC1CCN(C(=O)c2snnc2C)CC1 Cc1nnsc1[*:1] CCCc1nnsc1C(=O)NCC1CCN(CC1)C(=O)[*:1]
CCCc1nnsc1C(=O)NCC1CCN(C(=O)c2snnc2C)CC1 CCCc1nnsc1[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)[*:1]
O=C(NCc1ccccc1F)C(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(NCc1ccccc1F)C(=O)Nc1ccccc1[*:1]
O=C(NCc1ccccc1F)C(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1F)C(=O)Nc1ccccc1O[*:1]
O=C(NCc1ccccc1F)C(=O)Nc1ccccc1Oc1ccccc1 Fc1ccccc1[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1Oc1ccccc1
O=C(NCc1ccccc1F)C(=O)Nc1ccccc1Oc1ccccc1 Fc1ccccc1C[*:1] O=C(Nc1ccccc1Oc1ccccc1)C(=O)N[*:1]
CN(C(=O)C1CCN(S(=O)(=O)N(C)C)CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)N1CCC(CC1)C(=O)N(C)[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1occc1Br CC(C)[*:1] Cc1cc(ccc1NC(=O)c1occc1Br)C(=O)N[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1occc1Br Brc1ccoc1[*:1] Cc1cc(ccc1NC(=O)[*:1])C(=O)NC(C)C
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1occc1Br CC(C)NC(=O)[*:1] Cc1cc(ccc1NC(=O)c1occc1Br)[*:1]
O=C1CCC(=O)N1c1ccc(C2(c3ccc(N4C(=O)CCC4=O)cc3)C(=O)Nc3ccccc32)cc1 O=C1CCC(=O)N1[*:1] O=C1CCC(=O)N1c1ccc(cc1)C1(C(=O)Nc2ccccc21)c1ccc(cc1)[*:1]
C#CCSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc(OCC(N)=O)cc1 NC(=O)[*:1] C#CCSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc(cc1)OC[*:1]
C#CCSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc(OCC(N)=O)cc1 NC(=O)CO[*:1] C#CCSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc(cc1)[*:1]
C#CCSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc(OCC(N)=O)cc1 C#CC[*:1] NC(=O)COc1ccc(cc1)[C@H]1CC(=O)Nc2nc(nc([O-])c21)S[*:1]
C#CCSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc(OCC(N)=O)cc1 NC(=O)C[*:1] C#CCSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc(cc1)O[*:1]
C#CCSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc(OCC(N)=O)cc1 C#CCS[*:1] NC(=O)COc1ccc(cc1)[C@H]1CC(=O)Nc2nc(nc([O-])c21)[*:1]
CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)CCc2cc(F)ccc2F)C1 CS(=O)(=O)[*:1] O=C(CCc1cc(F)ccc1F)O[C@H]1CC[C@H](C1)[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C1 c1csc(c1)[*:1] COC(=O)[C@@]1(F)CCN(C1)C(=O)[C@H]1CCCN1C(=O)C[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C1 COC(=O)[*:1] O=C([C@H]1CCCN1C(=O)Cc1cccs1)N1CC[C@](F)(C1)[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)C1 c1csc(c1)C[*:1] COC(=O)[C@@]1(F)CCN(C1)C(=O)[C@H]1CCCN1C(=O)[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3cnoc3C)cc2O)C1 Cc1oncc1[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)c1ccc(cc1O)NC(=O)[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3cnoc3C)cc2O)C1 Cc1oncc1C(=O)N[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)c1ccc(cc1O)[*:1]
Cc1nn(C)c2nc(-c3ccncc3)nc(NC[C@@H]3COCCO3)c12 c1cc(ccn1)[*:1] Cc1nn(C)c2nc(nc(NC[C@@H]3COCCO3)c12)[*:1]
O=C(Nc1ccc(O)cc1C(=O)[O-])c1ccc(Br)nc1 O=C([O-])[*:1] O=C(Nc1ccc(O)cc1[*:1])c1ccc(Br)nc1
Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCO O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)N(C)CCO)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCO OCC[*:1] Cc1cc(ccc1NC(=O)N(C)[*:1])[N+](=O)[O-]
Cc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)c2ncon2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C[NH2+][C@H](c2ncon2)[*:1])c(C)c1
C[NH2+]C[C@@H]1CCCCN1c1nc2c([N+](=O)[O-])cccc2o1 O=[N+]([O-])[*:1] C[NH2+]C[C@@H]1CCCCN1c1nc2c(cccc2o1)[*:1]
c1coc(C[NH2+]Cc2ncc(-c3ccsc3)s2)c1 c1coc(c1)[*:1] c1cc(cs1)-c1cnc(C[NH2+]C[*:1])s1
c1coc(C[NH2+]Cc2ncc(-c3ccsc3)s2)c1 c1cc(cs1)[*:1] c1coc(c1)C[NH2+]Cc1ncc(s1)[*:1]
c1coc(C[NH2+]Cc2ncc(-c3ccsc3)s2)c1 c1coc(c1)C[*:1] c1cc(cs1)-c1cnc(C[NH2+][*:1])s1
Cc1ccc2c(c1)c([O-])nc1c(C(=O)Nc3ccccc3Cl)sc(=S)n12 Clc1ccccc1[*:1] Cc1ccc2c(c1)c([O-])nc1c(sc(=S)n12)C(=O)N[*:1]
COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1Cl Cc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)CNS(=O)(=O)[*:1]
Cc1cccc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc2OCOc2c1
CCOc1cc2oc(=O)cc(C)c2cc1CC CCO[*:1] CCc1cc2c(C)cc(=O)oc2cc1[*:1]
C[C@](O)(CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1)c1cccs1 c1csc(c1)[*:1] C[C@](O)(CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3F)CC2=O)cc1Cl Fc1cc(Br)ccc1[*:1] Cc1ccc(cc1Cl)N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3F)CC2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(Nc1ccc(Br)cc1F)[C@H]1CC(=O)N(C1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C CC(C)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1cc(nc2c1cnn2[*:1])-c1ccco1
Cc1noc(C)c1[C@H](C)NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C c1coc(c1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C Cc1noc(C)c1[*:1] CC(C)n1ncc2c(cc(nc21)-c1ccco1)C(=O)N[C@@H](C)[*:1]
CC(C)[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)OCCCO2 C1CCc2nnc(n2CC1)[*:1] CC(C)[C@@H](NC(=O)CS[*:1])c1ccc2OCCCOc2c1
CC(C)[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)OCCCO2 CC(C)[*:1] O=C(CSc1nnc2CCCCCn21)N[C@@H](c1ccc2OCCCOc2c1)[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c([O-])c1C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] Cc1nn(c([O-])c1C(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
Cc1cc(CCCC(=O)Nc2cccc(-c3ncon3)c2)c(C)s1 c1nc(no1)[*:1] Cc1cc(CCCC(=O)Nc2cccc(c2)[*:1])c(C)s1
Cc1cc(CCCC(=O)Nc2cccc(-c3ncon3)c2)c(C)s1 Cc1cc(C[*:1])c(C)s1 O=C(CC[*:1])Nc1cccc(c1)-c1ncon1
Cc1cc(CCCC(=O)Nc2cccc(-c3ncon3)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CCC[*:1])Nc1cccc(c1)-c1ncon1
C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] C[C@H]1CCc2ccccc2N1S(=O)(=O)[*:1]
CC[C@@H](CNC(=O)Nc1nnc(C(F)F)s1)Oc1ccccc1C FC(F)c1nnc(s1)[*:1] CC[C@@H](CNC(=O)N[*:1])Oc1ccccc1C
CC[C@@H](CNC(=O)Nc1nnc(C(F)F)s1)Oc1ccccc1C Cc1ccccc1O[*:1] CC[C@@H](CNC(=O)Nc1nnc(s1)C(F)F)[*:1]
CC[C@@H](CNC(=O)Nc1nnc(C(F)F)s1)Oc1ccccc1C Cc1ccccc1[*:1] CC[C@@H](CNC(=O)Nc1nnc(s1)C(F)F)O[*:1]
CC[C@@H](CNC(=O)Nc1nnc(C(F)F)s1)Oc1ccccc1C FC(F)[*:1] CC[C@@H](CNC(=O)Nc1nnc(s1)[*:1])Oc1ccccc1C
COc1ccccc1COC1CCN(c2ccc(C#N)c(Cl)c2)CC1 COc1ccccc1[*:1] N#Cc1ccc(cc1Cl)N1CCC(CC1)OC[*:1]
O=C(CCCNC(=O)c1ccsc1)NC[C@@H]1CCS(=O)(=O)C1 c1cc(cs1)[*:1] O=C(CCCNC(=O)[*:1])NC[C@@H]1CCS(=O)(=O)C1
Cc1noc(COC(=O)c2cc(Cl)c(Cl)n2C)n1 Cc1noc(n1)[*:1] Cn1c(cc(Cl)c1Cl)C(=O)OC[*:1]
CCN(CC)C(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CCN(CC)C(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CCN(CC)C(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 CCN(CC)C(=O)[*:1] O=C([O-])c1ccc(cc1)NC(=O)[C@@H]1CC=CC[C@H]1[*:1]
CCN(C(=O)CNC(=O)NC1CCCCC1)c1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CCN(C(=O)CNC(=O)NC1CCCCC1)[*:1]
CCN(C(=O)CNC(=O)NC1CCCCC1)c1cc(C)ccc1C C1CCC(CC1)[*:1] CCN(C(=O)CNC(=O)N[*:1])c1cc(C)ccc1C
CC/[NH+]=C(/NCc1ncnn1C)N[C@H]1CC[C@H](SC)C1 Cn1ncnc1[*:1] CC/[NH+]=C(/NC[*:1])N[C@H]1CC[C@@H](C1)SC
CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] Cc1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)c1n[nH]c(C)c1[N+](=O)[O-]
CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1n[nH]c(C)c1[*:1]
O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1ccc2ccccc2c1 Clc1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])NCc1ccc2ccccc2c1
CC[C@@](C)(NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)C(=O)OC COC(=O)[*:1] CC[C@@](C)(NC(=O)c1cc(nc2ccc(F)cc12)C1CC1)[*:1]
CC[C@@](C)(NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)C(=O)OC C1CC1[*:1] CC[C@@](C)(NC(=O)c1cc(nc2ccc(F)cc12)[*:1])C(=O)OC
O[C@H](C[NH2+][C@@H]1CCCc2sccc21)C1CCCC1 C1CCC(C1)[*:1] O[C@H](C[NH2+][C@@H]1CCCc2sccc21)[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2ccc(Cl)cn2)C1 NC(=O)[*:1] CC(C)[NH2+][C@]1(CC[C@H](C1)Sc1ccc(Cl)cn1)[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2ccc(Cl)cn2)C1 CC(C)[*:1] NC(=O)[C@@]1(CC[C@H](C1)Sc1ccc(Cl)cn1)[NH2+][*:1]
CCc1ccc([C@@H]2C[C@H](c3cccc(C)c3)n3nc(N)nc3N2)cc1 CCc1ccc(cc1)[*:1] Cc1cccc(c1)[C@H]1C[C@H](Nc2nc(N)nn21)[*:1]
CCc1ccc([C@@H]2C[C@H](c3cccc(C)c3)n3nc(N)nc3N2)cc1 Cc1cccc(c1)[*:1] CCc1ccc(cc1)[C@@H]1C[C@H](n2nc(N)nc2N1)[*:1]
Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1N1CCOC1=O Clc1cc(ccn1)[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)[*:1]
Cc1ccc(NC(=O)c2ccnc(Cl)c2)cc1N1CCOC1=O O=C1OCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccnc(Cl)c1
O=C(/C=C/c1ccsc1)Nc1ccc(F)cc1OCC(F)F FC(F)C[*:1] O=C(/C=C/c1ccsc1)Nc1ccc(F)cc1O[*:1]
O=C(/C=C/c1ccsc1)Nc1ccc(F)cc1OCC(F)F FC(F)[*:1] O=C(/C=C/c1ccsc1)Nc1ccc(F)cc1OC[*:1]
O=C(/C=C/c1ccsc1)Nc1ccc(F)cc1OCC(F)F C(=C[*:1])c1ccsc1 O=C(Nc1ccc(F)cc1OCC(F)F)[*:1]
O=C(/C=C/c1ccsc1)Nc1ccc(F)cc1OCC(F)F FC(F)CO[*:1] O=C(/C=C/c1ccsc1)Nc1ccc(F)cc1[*:1]
O=C(/C=C/c1ccsc1)Nc1ccc(F)cc1OCC(F)F c1cc(cs1)[*:1] O=C(C=C[*:1])Nc1ccc(F)cc1OCC(F)F
COC(=O)C1=C(C)C(C(=O)COc2cc(C)ccc2C(N)=O)=N[C@@H]1C NC(=O)[*:1] COC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)COc1cc(C)ccc1[*:1]
COC(=O)C1=C(C)C(C(=O)COc2cc(C)ccc2C(N)=O)=N[C@@H]1C COC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)COc1cc(C)ccc1C(N)=O
COCC1(NC(=O)c2ccc(CCC(C)(C)O)cc2)CCCC1 COC[*:1] CC(C)(O)CCc1ccc(cc1)C(=O)NC1(CCCC1)[*:1]
COCC1(NC(=O)c2ccc(CCC(C)(C)O)cc2)CCCC1 CC(C)(O)CC[*:1] COCC1(CCCC1)NC(=O)c1ccc(cc1)[*:1]
COCC1(NC(=O)c2ccc(CCC(C)(C)O)cc2)CCCC1 CC(C)(O)[*:1] COCC1(CCCC1)NC(=O)c1ccc(cc1)CC[*:1]
COCC1(NC(=O)c2ccc(CCC(C)(C)O)cc2)CCCC1 CC(C)(O)C[*:1] COCC1(CCCC1)NC(=O)c1ccc(cc1)C[*:1]
O=C(Nc1ccccc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nc2ccccc2o1
CC(C)[NH2+]Cc1ncoc1-c1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[NH2+]Cc1ncoc1-c1ccc(F)c(c1)[*:1]
CC(C)[NH2+]Cc1ncoc1-c1ccc(F)c(C(F)(F)F)c1 CC(C)[*:1] Fc1ccc(cc1C(F)(F)F)-c1ocnc1C[NH2+][*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(N)=O)cc1F NC(=O)C[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)Nc1ccccc1[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(N)=O)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)Nc1ccccc1CC(N)=O)[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(N)=O)cc1F NC(=O)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)Nc1ccccc1C[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)NCCc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CCN(CC)C(=O)c1ccccc1NC(=O)NCC[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)NCCc1ccc(F)cc1F Fc1ccc(C[*:1])c(F)c1 CCN(CC)C(=O)c1ccccc1NC(=O)NC[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)NCCc1ccc(F)cc1F CCN(CC)C(=O)[*:1] O=C(NCCc1ccc(F)cc1F)Nc1ccccc1[*:1]
CCCC(CBr)(CCC)CN1CCO[C@H](C#N)C1 CCC[*:1] CCCC(CBr)(CN1CCO[C@H](C#N)C1)[*:1]
CCOc1ccc(CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)CC2)cc1 CCOc1ccc(cc1)C[*:1] Cc1cc(cc(c1C)S(=O)(=O)N1CCN(CC1)[*:1])[N+](=O)[O-]
CCOc1ccc(CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)CC2)cc1 CCO[*:1] Cc1cc(cc(c1C)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1])[N+](=O)[O-]
CCOc1ccc(CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)CC2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)CN1CCN(CC1)S(=O)(=O)c1cc(cc(C)c1C)[*:1]
CCOc1ccc(CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1cc(cc(c1C)S(=O)(=O)N1CCN(CC1)C[*:1])[N+](=O)[O-]
CCc1ccccc1NC(=O)N(CC)C[C@@H]1COc2ccccc2O1 CCc1ccccc1[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[*:1]
CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCCCC1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)[*:1])[NH+]1CCCCC1
COCCn1ccc2ccc(NC(=O)N[C@@H]3CCCc4occc43)cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)N[C@@H]1CCCc2occc21
COCCn1ccc2ccc(NC(=O)N[C@@H]3CCCc4occc43)cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])N[C@@H]1CCCc2occc21
Cc1ccccc1-n1nnnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 Cc1ccccc1[*:1] Cc1c(C#N)c(NC(=O)CSc2nnnn2[*:1])n(Cc2ccccc2)c1C
Cc1ccccc1-n1nnnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccccc1-n1nnnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1[*:1]
Cc1ccccc1-n1nnnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1-n1nnnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1C[*:1]
N#Cc1cnc2ccc(Cl)cc2c1NCCNC(N)=O NC(=O)NCC[*:1] N#Cc1cnc2ccc(Cl)cc2c1N[*:1]
N#Cc1cnc2ccc(Cl)cc2c1NCCNC(N)=O NC(=O)NC[*:1] N#Cc1cnc2ccc(Cl)cc2c1NC[*:1]
N#Cc1cnc2ccc(Cl)cc2c1NCCNC(N)=O NC(=O)N[*:1] N#Cc1cnc2ccc(Cl)cc2c1NCC[*:1]
CC(C)N(C)C(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O CC(C)N(C)C(=O)C[*:1] O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1[*:1]
CC(C)N(C)C(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O CC(C)N(C)C(=O)[*:1] O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[*:1]
CC(C)N(C)C(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O CC(C)[*:1] CN(C(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)[*:1]
COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C1CCN(C)CC1)CC2 CN1CCC(CC1)[*:1] COc1cc2CCN([C@H](c3cccc(Cl)c3)c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C1CCN(C)CC1)CC2 Clc1cccc(c1)[*:1] COc1cc2CCN(C3CCN(C)CC3)[C@H](c2cc1OC)[*:1]
CCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)s1 O=C([O-])[*:1] CCc1ccc(s1)C(=O)N1CC[C@H]([C@@H]1C)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 c1ccc2[nH]c(nc2c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1nc2ccccc2[nH]1)[C@@H]1CCCN1S(=O)(=O)[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)N(C)[C@@H]1CCC[C@H](C)C1 C[C@H]1CCC[C@H](C1)[*:1] CCOC(=O)C[C@@H](C)CNC(=O)N(C)[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)N(C)[C@@H]1CCC[C@H](C)C1 CCOC(=O)C[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)NC[C@H](C)[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)N(C)[C@@H]1CCC[C@H](C)C1 CCOC(=O)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)NC[C@H](C)C[*:1]
CC[NH2+][C@H](c1ccc(C)c(OC)c1)[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] CC[NH2+][C@H](c1ccc(C)c(c1)OC)[C@@H](C)[*:1]
Nc1ccc2nc(NC3CC3)oc2c1 C1CC1N[*:1] Nc1ccc2nc(oc2c1)[*:1]
Nc1ccc2nc(NC3CC3)oc2c1 C1CC1[*:1] Nc1ccc2nc(N[*:1])oc2c1
C#CCNCC(=O)N1CC[C@](CCC)(C(=O)[O-])C1 C#CCNC[*:1] CCC[C@@]1(CCN(C1)C(=O)[*:1])C(=O)[O-]
C#CCNCC(=O)N1CC[C@](CCC)(C(=O)[O-])C1 O=C([O-])[*:1] C#CCNCC(=O)N1CC[C@](CCC)(C1)[*:1]
C#CCNCC(=O)N1CC[C@](CCC)(C(=O)[O-])C1 C#CC[*:1] CCC[C@@]1(CCN(C1)C(=O)CN[*:1])C(=O)[O-]
C#CCNCC(=O)N1CC[C@](CCC)(C(=O)[O-])C1 C#CCN[*:1] CCC[C@@]1(CCN(C1)C(=O)C[*:1])C(=O)[O-]
C#CCNCC(=O)N1CC[C@](CCC)(C(=O)[O-])C1 CCC[*:1] C#CCNCC(=O)N1CC[C@@](C1)(C(=O)[O-])[*:1]
CCN1N=CC2=N[C@H](c3cccc(OCc4ccccn4)c3)N[C@@H]21 c1ccc(nc1)[*:1] CCN1N=CC2=N[C@@H](N[C@@H]21)c1cccc(c1)OC[*:1]
CCN1N=CC2=N[C@H](c3cccc(OCc4ccccn4)c3)N[C@@H]21 c1ccc(CO[*:1])nc1 CCN1N=CC2=N[C@@H](N[C@@H]21)c1cccc(c1)[*:1]
CCN1N=CC2=N[C@H](c3cccc(OCc4ccccn4)c3)N[C@@H]21 c1ccc(C[*:1])nc1 CCN1N=CC2=N[C@@H](N[C@@H]21)c1cccc(c1)O[*:1]
CC(C)(C)c1cc(C(=O)Nc2c(Cl)cccc2Cl)ccn1 CC(C)(C)[*:1] O=C(Nc1c(Cl)cccc1Cl)c1ccnc(c1)[*:1]
O=C(Oc1ccc(Br)cc1C(=O)[O-])c1ccc(F)cc1 O=C([O-])[*:1] O=C(Oc1ccc(Br)cc1[*:1])c1ccc(F)cc1
O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1nc2c(s1)CCC2 C1Cc2nc(sc2C1)[*:1] O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)N[*:1]
CC1(NC(=O)CSCc2ccccn2)Cc2ccccc2C1 c1ccc(nc1)[*:1] CC1(Cc2ccccc2C1)NC(=O)CSC[*:1]
CC1(NC(=O)CSCc2ccccn2)Cc2ccccc2C1 c1ccc(C[*:1])nc1 CC1(Cc2ccccc2C1)NC(=O)CS[*:1]
O=S(=O)(/N=C(\[O-])c1scnc1C1CC1)c1ccc2ccccc2c1 C1CC1[*:1] O=S(=O)(/N=C(\[O-])c1scnc1[*:1])c1ccc2ccccc2c1
CCOc1ccc(N[C@@H](C)c2ccsc2)cn1 c1cc(cs1)[*:1] CCOc1ccc(cn1)N[C@@H](C)[*:1]
CCOc1ccc(N[C@@H](C)c2ccsc2)cn1 CCO[*:1] C[C@H](Nc1ccc(nc1)[*:1])c1ccsc1
CCOC(=O)c1c(NC(=O)c2c([N+](=O)[O-])cnn2CC)sc2c1CCCC2 CCOC(=O)[*:1] CCn1ncc(c1C(=O)Nc1sc2CCCCc2c1[*:1])[N+](=O)[O-]
CCOC(=O)c1c(NC(=O)c2c([N+](=O)[O-])cnn2CC)sc2c1CCCC2 O=[N+]([O-])[*:1] CCOC(=O)c1c(NC(=O)c2c(cnn2CC)[*:1])sc2CCCCc21
COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc21 CC(=O)c1ccc(cc1)[*:1] COCC(=O)N1CCCc2ccc(cc21)[N-]S(=O)(=O)[*:1]
COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc21 COC[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)[N-]c1ccc2CCCN(C(=O)[*:1])c2c1
COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)cc21 CC(=O)[*:1] COCC(=O)N1CCCc2ccc(cc21)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1CCCNC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
Cc1noc(C)c1CCCNC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 Cc1noc(C)c1C[*:1] O=C(NCC[*:1])N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
O=C(NCCc1ccccc1)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 c1ccc(cc1)CC[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc2CCCCc2c1
O=C(NCCc1ccccc1)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 c1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc2CCCCc2c1
O=C(NCCc1ccccc1)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 c1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc2CCCCc2c1
O=C(NCCc1ccccc1)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 c1cc2CCCCc2cc1[*:1] O=C(NCCc1ccccc1)[C@H]1CCCCN1S(=O)(=O)[*:1]
O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)c1ccccc1)[*:1])c1ccco1
O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)[*:1])c1ccccc1)c1ccco1
O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(c1ccccc1)[C@H](OC(=O)[*:1])c1ccccc1
CC(C)(C)c1ccc(/C=N\NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] CC(C)(C)c1ccc(/C=N\NC(=O)C(=O)N[*:1])cc1
CC(C)(C)c1ccc(/C=N\NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCCO1)C(=O)N/N=C\c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(/C=N\NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CC(C)(C)c1ccc(/C=N\NC(=O)C(=O)NC[*:1])cc1
Cc1ccc(F)c(NC(=O)[C@H](C)n2cc(Br)cn2)c1 Brc1cnn(c1)[*:1] Cc1ccc(F)c(c1)NC(=O)[C@H](C)[*:1]
COC(C)(C)CNC(=O)N[C@H]1CCCN(c2ccccc2)C1 COC(C)(C)C[*:1] O=C(N[C@H]1CCCN(C1)c1ccccc1)N[*:1]
COC(C)(C)CNC(=O)N[C@H]1CCCN(c2ccccc2)C1 c1ccc(cc1)[*:1] COC(C)(C)CNC(=O)N[C@H]1CCCN(C1)[*:1]
COC(C)(C)CNC(=O)N[C@H]1CCCN(c2ccccc2)C1 COC(C)(C)[*:1] O=C(NC[*:1])N[C@H]1CCCN(C1)c1ccccc1
COc1ccc(OC)c(CN(C)Cc2cnc(C)s2)c1 Cc1ncc(s1)[*:1] COc1ccc(OC)c(c1)CN(C)C[*:1]
CC[NH+](CC)CC[C@@H]([NH3+])CC1CC1 C1CC1C[*:1] CC[NH+](CC)CC[C@@H]([NH3+])[*:1]
CC[NH+](CC)CC[C@@H]([NH3+])CC1CC1 C1CC1[*:1] CC[NH+](CC)CC[C@@H]([NH3+])C[*:1]
COC[C@]1(O)CC[C@@H](C)C[C@H]1C COC[*:1] C[C@@H]1CC[C@@](O)([C@H](C)C1)[*:1]
COCCOc1ccccc1CN1CCNC(=O)C[C@@H]1c1ccccc1 COCCO[*:1] O=C1C[C@H](c2ccccc2)N(CCN1)Cc1ccccc1[*:1]
COCCOc1ccccc1CN1CCNC(=O)C[C@@H]1c1ccccc1 COC[*:1] O=C1C[C@H](c2ccccc2)N(CCN1)Cc1ccccc1OC[*:1]
COCCOc1ccccc1CN1CCNC(=O)C[C@@H]1c1ccccc1 COCC[*:1] O=C1C[C@H](c2ccccc2)N(CCN1)Cc1ccccc1O[*:1]
COCCOc1ccccc1CN1CCNC(=O)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COCCOc1ccccc1CN1CCNC(=O)C[C@H]1[*:1]
Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)s1 C1CN(CCO1)[*:1] Cc1ccc(s1)S(=O)(=O)NCc1ccccc1C[*:1]
Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)s1 C1CN(CCO1)C[*:1] Cc1ccc(s1)S(=O)(=O)NCc1ccccc1[*:1]
Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)s1 Cc1ccc(s1)[*:1] O=S(=O)(NCc1ccccc1CN1CCOCC1)[*:1]
COCc1nc(CNc2cccc([N+](=O)[O-])c2C)cs1 COC[*:1] Cc1c(cccc1[N+](=O)[O-])NCc1csc(n1)[*:1]
COCc1nc(CNc2cccc([N+](=O)[O-])c2C)cs1 O=[N+]([O-])[*:1] COCc1nc(cs1)CNc1cccc(c1C)[*:1]
O=S(=O)(c1ccc(Cc2nc(C3CC3)no2)cc1)C(F)F FC(F)[*:1] O=S(=O)(c1ccc(cc1)Cc1nc(no1)C1CC1)[*:1]
O=S(=O)(c1ccc(Cc2nc(C3CC3)no2)cc1)C(F)F C1CC1[*:1] O=S(=O)(c1ccc(cc1)Cc1nc(no1)[*:1])C(F)F
O=S(=O)(c1ccc(Cc2nc(C3CC3)no2)cc1)C(F)F O=S(=O)(C(F)F)[*:1] c1cc(ccc1Cc1nc(no1)C1CC1)[*:1]
Cc1cnc(N[C@@H]2CCCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 O=C([O-])[*:1] Cc1cnc(N[C@@H]2CCCCC[C@@H]2[*:1])c(c1)[N+](=O)[O-]
Cc1cnc(N[C@@H]2CCCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(N[C@@H]2CCCCC[C@H]2C(=O)[O-])c(c1)[*:1]
Cc1nnc(NCCCSc2ccc(F)cc2)s1 Cc1nnc(s1)[*:1] Fc1ccc(cc1)SCCCN[*:1]
C/C(Nc1ccc(C(=O)[O-])c(O)c1)=C1/C(=O)O[C@H](C)C1=O O=C([O-])[*:1] C/C(Nc1ccc(c(O)c1)[*:1])=C1/C(=O)O[C@H](C)C1=O
COc1ccc(NC(=O)C2CC2)cc1-n1cnnn1 C1CC1[*:1] COc1ccc(cc1-n1cnnn1)NC(=O)[*:1]
COc1ccc(NC(=O)C2CC2)cc1-n1cnnn1 c1nnnn1[*:1] COc1ccc(cc1[*:1])NC(=O)C1CC1
COc1ccc(NC(=O)C2CC2)cc1-n1cnnn1 O=C(N[*:1])C1CC1 COc1ccc(cc1-n1cnnn1)[*:1]
CN(C)C(=O)CN(C)C(=O)CCNC(=O)/C=C/c1ccco1 C(=C[*:1])c1ccco1 CN(C)C(=O)CN(C)C(=O)CCNC(=O)[*:1]
CN(C)C(=O)CN(C)C(=O)CCNC(=O)/C=C/c1ccco1 CN(C)C(=O)C[*:1] CN(C(=O)CCNC(=O)/C=C/c1ccco1)[*:1]
CN(C)C(=O)CN(C)C(=O)CCNC(=O)/C=C/c1ccco1 c1coc(c1)[*:1] CN(C)C(=O)CN(C)C(=O)CCNC(=O)C=C[*:1]
CN(C)C(=O)CN(C)C(=O)CCNC(=O)/C=C/c1ccco1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)CCNC(=O)/C=C/c1ccco1
CCOC(=O)/C=C(\C)NNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)/C=C(\C)NNC(=O)c1cccc(c1)[*:1]
CCOC(=O)/C=C(\C)NNC(=O)c1cccc([N+](=O)[O-])c1 CCOC(=O)[*:1] CC(=C[*:1])NNC(=O)c1cccc(c1)[N+](=O)[O-]
CC1(C)OC(=O)N(C[C@H](O)c2ccccc2)[C@@]1(C)O c1ccc(cc1)[*:1] CC1(C)OC(=O)N(C[C@H](O)[*:1])[C@@]1(C)O
COC(=O)C[C@@H](C)C(=O)NC1(c2ccc(F)cc2F)CCCC1 COC(=O)[*:1] C[C@H](C[*:1])C(=O)NC1(CCCC1)c1ccc(F)cc1F
COC(=O)C[C@@H](C)C(=O)NC1(c2ccc(F)cc2F)CCCC1 COC(=O)C[C@@H](C)[*:1] O=C(NC1(CCCC1)c1ccc(F)cc1F)[*:1]
COC(=O)C[C@@H](C)C(=O)NC1(c2ccc(F)cc2F)CCCC1 COC(=O)C[*:1] C[C@@H](C(=O)NC1(CCCC1)c1ccc(F)cc1F)[*:1]
O=C(OC[C@@H]1CCOC1)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)[*:1] O=C(OC[C@@H]1CCOC1)c1cc(OC[*:1])c2ccccc2n1
O=C(OC[C@@H]1CCOC1)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)C[*:1] O=C(OC[C@@H]1CCOC1)c1cc(O[*:1])c2ccccc2n1
O=C(OC[C@@H]1CCOC1)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)CO[*:1] O=C(OC[C@@H]1CCOC1)c1cc(c2ccccc2n1)[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3c(c2=O)S[C@H](C)C3)cc1 NC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)-n1c(nc2C[C@@H](C)Sc2c1=O)SCC(=O)N[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3c(c2=O)S[C@H](C)C3)cc1 COc1ccc(cc1)[*:1] C[C@@H]1Cc2nc(SCC(=O)Nc3ccc(cc3)C(N)=O)n(c(=O)c2S1)[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3c(c2=O)S[C@H](C)C3)cc1 NC(=O)[*:1] COc1ccc(cc1)-n1c(nc2C[C@@H](C)Sc2c1=O)SCC(=O)Nc1ccc(cc1)[*:1]
C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3[nH+]ccn3C)CC2)C1 Cn1cc[nH+]c1[*:1] C[C@H]1CCC[C@H](C1)[NH+]1CCN(CC1)C[*:1]
COCC(=O)N1CCN(c2ncccn2)CC1 COC[*:1] O=C(N1CCN(CC1)c1ncccn1)[*:1]
Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)CO)cc2)c1 Cc1cccc(c1)O[*:1] C[C@H](CO)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)CO)cc2)c1 Cc1cccc(c1)[*:1] C[C@H](CO)NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
Cn1cc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cn1 Clc1ccccc1[*:1] Cn1cc(cn1)NC(=O)NC[C@@H](N1CCOCC1)[*:1]
Cn1cc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cn1 Cn1cc(cn1)[*:1] O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)N[*:1]
Cn1cc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cn1 C1CN(CCO1)[*:1] Cn1cc(cn1)NC(=O)NC[C@@H](c1ccccc1Cl)[*:1]
O=c1cc(C[NH2+]Cc2cccc(Cl)c2)nc(N2CCCC2)[nH]1 Clc1cccc(c1)[*:1] O=c1cc(C[NH2+]C[*:1])nc([nH]1)N1CCCC1
O=c1cc(C[NH2+]Cc2cccc(Cl)c2)nc(N2CCCC2)[nH]1 C1CCN(C1)[*:1] O=c1cc(C[NH2+]Cc2cccc(Cl)c2)nc([nH]1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](Oc2cccnc2Cl)C1 CS(=O)(=O)[*:1] Clc1ncccc1O[C@H]1CCC[C@@H](C1)[*:1]
O=C(COC(=O)c1n[nH]c2ccccc12)NCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(COC(=O)c1n[nH]c2ccccc12)NC[*:1]
CSc1ccc(C)c(C(=O)N(CC(F)(F)F)c2ccccn2)c1 c1ccc(nc1)[*:1] CSc1ccc(C)c(c1)C(=O)N(CC(F)(F)F)[*:1]
CSc1ccc(C)c(C(=O)N(CC(F)(F)F)c2ccccn2)c1 FC(F)(F)[*:1] CSc1ccc(C)c(c1)C(=O)N(C[*:1])c1ccccn1
CSc1ccc(C)c(C(=O)N(CC(F)(F)F)c2ccccn2)c1 FC(F)(F)C[*:1] CSc1ccc(C)c(c1)C(=O)N(c1ccccn1)[*:1]
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)Cn1cccn1 c1cnn(c1)C[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)[*:1]
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)Cn1cccn1 c1cnn(c1)[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)C[*:1]
OCCC#Cc1ccc(CN2CCN(c3nc(-c4ccccc4)[nH+]c4c3CCC4)CC2)cc1 c1ccc(cc1)[*:1] OCCC#Cc1ccc(cc1)CN1CCN(CC1)c1nc([nH+]c2CCCc12)[*:1]
OCCC#Cc1ccc(CN2CCN(c3nc(-c4ccccc4)[nH+]c4c3CCC4)CC2)cc1 OCCC#C[*:1] c1ccc(cc1)-c1nc(c2CCCc2[nH+]1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
OCCC#Cc1ccc(CN2CCN(c3nc(-c4ccccc4)[nH+]c4c3CCC4)CC2)cc1 OCC[*:1] C(#C[*:1])c1ccc(cc1)CN1CCN(CC1)c1nc([nH+]c2CCCc12)-c1ccccc1
OCCC#Cc1ccc(CN2CCN(c3nc(-c4ccccc4)[nH+]c4c3CCC4)CC2)cc1 OCCC#Cc1ccc(cc1)[*:1] c1ccc(cc1)-c1nc(c2CCCc2[nH+]1)N1CCN(CC1)C[*:1]
Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NC4CCCC4)n3)n2)cc1C C1CCC(C1)[*:1] Cc1ccc(cc1C)-c1ccc(=O)n(Cc2noc(n2)C(=O)N[*:1])n1
Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NC4CCCC4)n3)n2)cc1C Cc1ccc(cc1C)[*:1] O=C(NC1CCCC1)c1nc(Cn2nc(ccc2=O)[*:1])no1
Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NC4CCCC4)n3)n2)cc1C O=C(NC1CCCC1)[*:1] Cc1ccc(cc1C)-c1ccc(=O)n(Cc2noc(n2)[*:1])n1
C[NH+](CC(=O)Nc1sccc1C#N)Cc1ccc(-c2ccc(Cl)cc2)o1 N#Cc1ccsc1[*:1] C[NH+](CC(=O)N[*:1])Cc1ccc(o1)-c1ccc(Cl)cc1
C[NH+](CC(=O)Nc1sccc1C#N)Cc1ccc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1sccc1C#N)Cc1ccc(o1)[*:1]
CCc1nc(C)c([C@@H](C)OC(=O)c2ccc([S@@](C)=O)cc2)s1 C[S@@](=O)[*:1] CCc1nc(C)c(s1)[C@@H](C)OC(=O)c1ccc(cc1)[*:1]
CCc1nnc(CNC(=O)[C@H](c2cccnc2)N2CCOCC2)s1 CCc1nnc(C[*:1])s1 O=C(N[*:1])[C@H](c1cccnc1)N1CCOCC1
CCc1nnc(CNC(=O)[C@H](c2cccnc2)N2CCOCC2)s1 CCc1nnc(s1)[*:1] O=C(NC[*:1])[C@H](c1cccnc1)N1CCOCC1
CCc1nnc(CNC(=O)[C@H](c2cccnc2)N2CCOCC2)s1 C1CN(CCO1)[*:1] CCc1nnc(CNC(=O)[C@H](c2cccnc2)[*:1])s1
CCc1nnc(CNC(=O)[C@H](c2cccnc2)N2CCOCC2)s1 c1cncc(c1)[*:1] CCc1nnc(CNC(=O)[C@H](N2CCOCC2)[*:1])s1
Cc1ccc(CC(=O)Nc2ccc(OC(C)(C)C)cc2)cc1O CC(C)(C)O[*:1] Cc1ccc(cc1O)CC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(CC(=O)Nc2ccc(OC(C)(C)C)cc2)cc1O CC(C)(C)[*:1] Cc1ccc(cc1O)CC(=O)Nc1ccc(cc1)O[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]1[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)c1 COc1cccc(c1)[*:1] Cc1ccc(o1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CC[NH+](C)C
Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1cccc(N(C)C)[nH+]1 CN(C)[*:1] Cc1nc(sc1[C@@H](C)NCc1cccc([nH+]1)[*:1])-c1cccnc1
Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1cccc(N(C)C)[nH+]1 c1cncc(c1)[*:1] Cc1nc(sc1[C@@H](C)NCc1cccc([nH+]1)N(C)C)[*:1]
C[S@@](=O)c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 O=[N+]([O-])[*:1] C[S@@](=O)c1ccc(cc1)C(=O)N1CCc2ccc(cc21)[*:1]
COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)cc1 COc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)c1cccc(Cl)c1)N1CCC(CC1)NS(=O)(=O)[*:1]
C=CCOc1cccc(NC(=O)c2cccc(N3CCCNC3=O)c2)c1 O=C1NCCCN1[*:1] C=CCOc1cccc(c1)NC(=O)c1cccc(c1)[*:1]
C=CCOc1cccc(NC(=O)c2cccc(N3CCCNC3=O)c2)c1 C=CC[*:1] O=C(Nc1cccc(c1)O[*:1])c1cccc(c1)N1CCCNC1=O
C=CCOc1cccc(NC(=O)c2cccc(N3CCCNC3=O)c2)c1 C=CCO[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)N1CCCNC1=O
COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(O)c(OC)c1 COC(=O)[*:1] COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H]([C@@H]1c1ccc(O)c(c1)OC)[*:1]
COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(O)c(OC)c1 COC(=O)[*:1] COC(=O)[C@@H]1[C@H](c2ccc(O)c(c2)OC)[C@H](C(=O)C[C@]1(C)O)[*:1]
C[C@@H](c1ccccc1)n1c(-c2nccn2CCO)nc2ccccc21 C[C@@H](c1ccccc1)[*:1] OCCn1ccnc1-c1nc2ccccc2n1[*:1]
C[C@@H](c1ccccc1)n1c(-c2nccn2CCO)nc2ccccc21 OCCn1ccnc1[*:1] C[C@@H](c1ccccc1)n1c(nc2ccccc21)[*:1]
C[C@@H](c1ccccc1)n1c(-c2nccn2CCO)nc2ccccc21 c1ccc(cc1)[*:1] C[C@@H](n1c(nc2ccccc21)-c1nccn1CCO)[*:1]
C[C@@H](c1ccccc1)n1c(-c2nccn2CCO)nc2ccccc21 OCC[*:1] C[C@@H](c1ccccc1)n1c(nc2ccccc21)-c1nccn1[*:1]
COc1ccc(N2C(=O)CN(c3ccccc3)C2=S)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)CN(C1=S)[*:1]
N#Cc1ccc(-c2noc(COc3cccc(NC(=O)C4CC4)c3)n2)nc1 O=C(N[*:1])C1CC1 N#Cc1ccc(nc1)-c1noc(COc2cccc(c2)[*:1])n1
N#Cc1ccc(-c2noc(COc3cccc(NC(=O)C4CC4)c3)n2)nc1 C1CC1[*:1] N#Cc1ccc(nc1)-c1noc(COc2cccc(c2)NC(=O)[*:1])n1
N#Cc1ccc(-c2noc(COc3cccc(NC(=O)C4CC4)c3)n2)nc1 N#Cc1ccc(nc1)[*:1] O=C(Nc1cccc(c1)OCc1nc(no1)[*:1])C1CC1
Cc1ccc([C@@H](CNC(=O)NCCC(=O)N(C)C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)NCCC(=O)N(C)C)[*:1]
Cc1ccc([C@@H](CNC(=O)NCCC(=O)N(C)C)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] CN(C)C(=O)CCNC(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1ccc([C@@H](CNC(=O)NCCC(=O)N(C)C)N2CCOCC2)cc1 CN(C)C(=O)CC[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)N[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)NCCC(=O)N(C)C)N2CCOCC2)cc1 CN(C)C(=O)C[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)NC[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)NCCC(=O)N(C)C)N2CCOCC2)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)NCC[*:1])N1CCOCC1
CNC(=O)c1ccc(NCc2ccccc2OC(F)(F)F)nn1 CNC(=O)[*:1] FC(F)(F)Oc1ccccc1CNc1ccc(nn1)[*:1]
CNC(=O)c1ccc(NCc2ccccc2OC(F)(F)F)nn1 FC(F)(F)O[*:1] CNC(=O)c1ccc(nn1)NCc1ccccc1[*:1]
CNC(=O)c1ccc(NCc2ccccc2OC(F)(F)F)nn1 FC(F)(F)[*:1] CNC(=O)c1ccc(nn1)NCc1ccccc1O[*:1]
CSc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c1 CSc1cccc(c1)[*:1] Cn1c(nnc1-c1ccccc1Cl)SCC(=O)N[*:1]
CSc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c1 Clc1ccccc1[*:1] CSc1cccc(c1)NC(=O)CSc1nnc(n1C)[*:1]
O=C(NC[C@H]1CC=CCC1)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(NC[C@H]1CC=CCC1)N1CCN(CC1)[*:1]
Cn1ccnc1[C@H](NC(=O)CSc1ccc2ccccc2n1)c1ccccc1 Cn1ccnc1[*:1] O=C(CSc1ccc2ccccc2n1)N[C@H](c1ccccc1)[*:1]
Cn1ccnc1[C@H](NC(=O)CSc1ccc2ccccc2n1)c1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)CSc1ccc2ccccc2n1)[*:1]
Nc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 FC(F)(F)[*:1] Nc1cccc(c1)Oc1ncc(cc1Cl)[*:1]
CC[NH2+][C@H](C)c1ccccc1-c1cccc(OCC)c1 CCO[*:1] CC[NH2+][C@H](C)c1ccccc1-c1cccc(c1)[*:1]
CNC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)cc1 CNC(=O)[*:1] C[C@@H]1C[C@@H](CC(C)(C)C1)[NH2+]Cc1ccc(cc1)[*:1]
CCN(CC)c1ccc(CNC(=O)Nc2cc(C(C)(C)C)on2)c[nH+]1 CCN(CC)[*:1] CC(C)(C)c1cc(no1)NC(=O)NCc1ccc([nH+]c1)[*:1]
CCN(CC)c1ccc(CNC(=O)Nc2cc(C(C)(C)C)on2)c[nH+]1 CC(C)(C)[*:1] CCN(CC)c1ccc(c[nH+]1)CNC(=O)Nc1cc(on1)[*:1]
N#Cc1cccc(NC(=O)CCn2c(=S)[nH]c3ccccc3c2=O)c1 N#Cc1cccc(c1)[*:1] O=C(CCn1c(=S)[nH]c2ccccc2c1=O)N[*:1]
O=C1/C(=C\c2ccc(Cl)cc2)S(=O)(=O)[C@@H](c2ccccc2)N1c1ccccc1 Clc1ccc(cc1)[*:1] O=C1C(=C[*:1])S(=O)(=O)[C@@H](c2ccccc2)N1c1ccccc1
O=C1/C(=C\c2ccc(Cl)cc2)S(=O)(=O)[C@@H](c2ccccc2)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1/C(=C\c2ccc(Cl)cc2)S(=O)(=O)[C@@H](c2ccccc2)N1[*:1]
O=C1/C(=C\c2ccc(Cl)cc2)S(=O)(=O)[C@@H](c2ccccc2)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1/C(=C\c2ccc(Cl)cc2)S(=O)(=O)[C@@H](N1c1ccccc1)[*:1]
Cc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)S(=O)(=O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)CN(C[*:1])S(=O)(=O)c1ccc(F)cc1
Cc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)S(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)S(=O)(=O)[*:1]
Cc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)S(=O)(=O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)CN(S(=O)(=O)c1ccc(F)cc1)[*:1]
CS(=O)(=O)/N=C(\[O-])c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)/N=C(\[O-])c1cc(nn1[*:1])-c1ccc(Cl)cc1
CS(=O)(=O)/N=C(\[O-])c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)/N=C(\[O-])c1cc(nn1-c1ccccc1)[*:1]
Cc1cc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)c(C)o1 Cc1cc(c(C)o1)[*:1] Cn1ccnc1[C@H](NC(=O)[*:1])c1cccc(F)c1
Cc1cc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)c(C)o1 Fc1cccc(c1)[*:1] Cc1cc(C(=O)N[C@H](c2nccn2C)[*:1])c(C)o1
Cc1cc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)c(C)o1 Cn1ccnc1[*:1] Cc1cc(C(=O)N[C@H](c2cccc(F)c2)[*:1])c(C)o1
CC[C@H]1c2ccccc2CCN1c1nc(C2CC2)ns1 C1CC1[*:1] CC[C@H]1c2ccccc2CCN1c1nc(ns1)[*:1]
CC(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 CC(C)[*:1] O=[N+]([O-])c1cc(ccc1NC1CC[NH+](CC1)C[*:1])S(=O)(=O)N1CCOCC1
CC(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC(C)C[NH+]1CCC(CC1)Nc1ccc(cc1[*:1])S(=O)(=O)N1CCOCC1
CC(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 O=S(=O)(N1CCOCC1)[*:1] CC(C)C[NH+]1CCC(CC1)Nc1ccc(cc1[N+](=O)[O-])[*:1]
CCc1nc(COC)nc(CC)c1CC[NH3+] [NH3+]CC[*:1] CCc1nc(COC)nc(CC)c1[*:1]
CCc1nc(COC)nc(CC)c1CC[NH3+] COC[*:1] CCc1nc(nc(CC)c1CC[NH3+])[*:1]
C[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc(Cl)ccc2O)CC1 Oc1ccc(Cl)cc1[*:1] C[NH+]1CCN(CCCNC(=O)C(=O)N[*:1])CC1
Cc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 O=[N+]([O-])c1ccccc1[*:1] Cc1ccc(cc1)-c1nnn(CC(=O)N2CCN(CC2)[*:1])n1
Cc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
Cc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1nnn(CC(=O)N2CCN(CC2)c2ccccc2[*:1])n1
COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 O=S(=O)(N1CCCCC1)[*:1] COc1cccc(c1)NC(=O)c1cc(ccc1C)[*:1]
COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)N1CCCCC1
CC[C@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)[*:1]
CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)Cc2cccs2)ccc1F c1csc(c1)[*:1] CNS(=O)(=O)c1cc(ccc1F)C(=O)N[C@@H](C)C[*:1]
CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)Cc2cccs2)ccc1F c1csc(c1)C[*:1] CNS(=O)(=O)c1cc(ccc1F)C(=O)N[C@@H](C)[*:1]
CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)Cc2cccs2)ccc1F CNS(=O)(=O)[*:1] C[C@@H](Cc1cccs1)NC(=O)c1ccc(F)c(c1)[*:1]
CCc1ccc(CC(=O)N2CCN(c3ncccc3F)CC2)cc1 Fc1cccnc1[*:1] CCc1ccc(cc1)CC(=O)N1CCN(CC1)[*:1]
CCc1ccc(CC(=O)N2CCN(c3ncccc3F)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(C[*:1])N1CCN(CC1)c1ncccc1F
FC(F)(F)c1ccccc1[C@@H]1CCC[C@@H]1NCc1ccncc1 c1cc(ccn1)[*:1] FC(F)(F)c1ccccc1[C@@H]1CCC[C@@H]1NC[*:1]
FC(F)(F)c1ccccc1[C@@H]1CCC[C@@H]1NCc1ccncc1 FC(F)(F)[*:1] c1ccc(c(c1)[C@@H]1CCC[C@@H]1NCc1ccncc1)[*:1]
FC(F)(F)c1ccccc1[C@@H]1CCC[C@@H]1NCc1ccncc1 c1cc(ccn1)C[*:1] FC(F)(F)c1ccccc1[C@@H]1CCC[C@@H]1N[*:1]
Cc1cc(C)nc(/N=C(\N)Nc2ccc(-c3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(/N=C(\N)Nc2ccc(cc2)[*:1])n1
Cc1cc(C)nc(/N=C(\N)Nc2ccc(-c3ccccc3)cc2)n1 Cc1cc(C)nc(n1)[*:1] NC(=N[*:1])Nc1ccc(cc1)-c1ccccc1
CC[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C CC[C@H](C)C[*:1] Cc1cc(F)c(cc1S(=O)(=O)N[*:1])[N+](=O)[O-]
CC[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C O=[N+]([O-])[*:1] CC[C@H](C)CNS(=O)(=O)c1cc(c(F)cc1C)[*:1]
CC[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C CC[C@H](C)[*:1] Cc1cc(F)c(cc1S(=O)(=O)NC[*:1])[N+](=O)[O-]
CCc1nn(C)cc1C(=O)Nc1ccc(C(=O)NC)cc1 CNC(=O)[*:1] CCc1nn(C)cc1C(=O)Nc1ccc(cc1)[*:1]
CC(=O)N1N/C(=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)C[C@H]1c1cccs1 c1csc(c1)[*:1] CC(=O)N1N/C(C[C@@H]1[*:1])=C1/C(=O)NC(=O)N(C1=O)c1cc(C)cc(C)c1
CC(=O)N1N/C(=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)C[C@H]1c1cccs1 Cc1cc(C)cc(c1)[*:1] CC(=O)N1N/C(C[C@H]1c1cccs1)=C1/C(=O)NC(=O)N(C1=O)[*:1]
O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1ccc(cc1)CCC[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1ccc(cc1)CC[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCCCc1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
CCOC(=O)[C@H]1N=NC=C1c1ccc(Cl)cc1Cl CCOC(=O)[*:1] Clc1ccc(C2=CN=N[C@@H]2[*:1])c(Cl)c1
CC(=O)c1cc(-c2ccnc(N3CCOCC3)n2)c(C)nc1C C1CN(CCO1)[*:1] CC(=O)c1cc(-c2ccnc(n2)[*:1])c(C)nc1C
CC(=O)c1cc(-c2ccnc(N3CCOCC3)n2)c(C)nc1C CC(=O)[*:1] Cc1nc(C)c(cc1-c1ccnc(n1)N1CCOCC1)[*:1]
Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CC1)C(=O)N2Cc1ccc(F)cc1F Fc1ccc(C[*:1])c(F)c1 Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CC1)C(=O)N2[*:1]
Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CC1)C(=O)N2Cc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CC1)C(=O)N2C[*:1]
Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CC1)C(=O)N2Cc1ccc(F)cc1F C1CC1[*:1] Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)[*:1])C(=O)N2Cc1ccc(F)cc1F
O=C(Nc1ccn(Cc2ccccn2)n1)c1c[nH]c2cccc(F)c12 c1ccc(C[*:1])nc1 O=C(Nc1ccn(n1)[*:1])c1c[nH]c2cccc(F)c12
O=C(Nc1ccn(Cc2ccccn2)n1)c1c[nH]c2cccc(F)c12 c1ccc(nc1)[*:1] O=C(Nc1ccn(C[*:1])n1)c1c[nH]c2cccc(F)c12
O=S(=O)(c1cccs1)N1CCn2c(nnc2C(F)(F)F)C1 c1csc(c1)[*:1] O=S(=O)(N1CCn2c(C1)nnc2C(F)(F)F)[*:1]
O=S(=O)(c1cccs1)N1CCn2c(nnc2C(F)(F)F)C1 FC(F)(F)[*:1] O=S(=O)(c1cccs1)N1CCn2c(C1)nnc2[*:1]
CSCc1ccc(C(=O)Nc2ccccc2C[NH+]2CCCC2)cc1 CSC[*:1] O=C(Nc1ccccc1C[NH+]1CCCC1)c1ccc(cc1)[*:1]
C[C@H]1Oc2ccc(NC(=O)CCCC3CCCC3)cc2NC1=O C1CCC(C1)C[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)CC[*:1]
C[C@H]1Oc2ccc(NC(=O)CCCC3CCCC3)cc2NC1=O C1CCC(C1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)CCC[*:1]
C[C@H]1Oc2ccc(NC(=O)CCCC3CCCC3)cc2NC1=O C1CCC(C1)CC[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)C[*:1]
CSc1ccc(C)c(C(=O)Nc2cccc(Cl)c2-n2cncn2)c1 c1ncn(n1)[*:1] CSc1ccc(C)c(c1)C(=O)Nc1cccc(Cl)c1[*:1]
C=C(C)CCc1cc(C)cc(C)c1 C=C(C)[*:1] Cc1cc(C)cc(c1)CC[*:1]
C=C(C)CCc1cc(C)cc(C)c1 C=C(C)C[*:1] Cc1cc(C)cc(c1)C[*:1]
CCC(CC)n1ccc(C[C@@H](CO)c2ccc(F)cc2)n1 CCC(CC)[*:1] OC[C@H](Cc1ccn(n1)[*:1])c1ccc(F)cc1
CCC(CC)n1ccc(C[C@@H](CO)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCC(CC)n1ccc(C[C@@H](CO)[*:1])n1
Cc1[nH+]c2ccccc2c2c1C[C@@H]([C@](C)(Cl)Br)O2 C[C@](Cl)(Br)[*:1] Cc1[nH+]c2ccccc2c2O[C@H](Cc12)[*:1]
COC[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1 COC[*:1] C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)[*:1]
COC[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1 COC[C@@H](C)[*:1] O=S(=O)(N[*:1])c1ccc(F)c(Cl)c1
CS[C@@H]1CCC[C@H]1NC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CS[C@@H]1CCC[C@H]1NC(=O)N1CCN(CC1)[*:1]
CS[C@@H]1CCC[C@H]1NC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CS[C@@H]1CCC[C@H]1NC(=O)N1CCN(CC1)C[*:1]
Cc1[nH]c(SCC(=O)N[C@@H](C)C(C)C)nc1Cc1ccccc1 CC(C)[C@H](C)[*:1] Cc1[nH]c(nc1Cc1ccccc1)SCC(=O)N[*:1]
Cc1[nH]c(SCC(=O)N[C@@H](C)C(C)C)nc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(nc1C[*:1])SCC(=O)N[C@@H](C)C(C)C
Cc1[nH]c(SCC(=O)N[C@@H](C)C(C)C)nc1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH]c(nc1[*:1])SCC(=O)N[C@@H](C)C(C)C
Cc1[nH]c(SCC(=O)N[C@@H](C)C(C)C)nc1Cc1ccccc1 CC(C)[*:1] Cc1[nH]c(nc1Cc1ccccc1)SCC(=O)N[C@@H](C)[*:1]
COc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1Br C1CO[C@@H](C1)CO[*:1] COc1ccc(cc1Br)C(=O)Nc1cccc(c1)[*:1]
CC(=O)NCc1ccc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 CC(=O)N[*:1] C[C@H](c1cccc(c1)[N+](=O)[O-])N(C)C(=O)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 CC(=O)NC[*:1] C[C@H](c1cccc(c1)[N+](=O)[O-])N(C)C(=O)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CC(=O)NCc1ccc(cc1)C(=O)N(C)[C@H](C)c1cccc(c1)[*:1]
CC(C)[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)c1[nH]nc2CCCCCc21)[*:1]
CC(C)[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1cccs1 CC(C)[*:1] O=C(N[C@@H](c1cccs1)[*:1])c1[nH]nc2CCCCCc21
CCOc1ccc(NC(=O)C#Cc2ccccc2)cc1 CCO[*:1] O=C(C#Cc1ccccc1)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)C#Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)C#C[*:1]
Cc1cc(S(=O)(=O)NCc2ccc(C#N)cc2)ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])S(=O)(=O)NCc1ccc(C#N)cc1
Cc1cc(S(=O)(=O)NCc2ccc(C#N)cc2)ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)NCc1ccc(C#N)cc1
Cc1cc(S(=O)(=O)NCc2ccc(C#N)cc2)ccc1OC(C)C N#Cc1ccc(cc1)[*:1] Cc1cc(ccc1OC(C)C)S(=O)(=O)NC[*:1]
Cc1ccc(NC(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1Cl Clc1ccccc1[*:1] Cc1ccc(cc1Cl)NC(=O)N(C)[C@H]1CCN(C1=O)[*:1]
Cc1ccc(NC(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] CN(C(=O)N[*:1])[C@H]1CCN(C1=O)c1ccccc1Cl
CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)/C(=C/c1ccc2OCOc2c1)NC(=O)c1cccc(c1)[*:1]
CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CCOC(=O)/C(=C/c1ccc2OCOc2c1)NC(=O)[*:1]
CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc([N+](=O)[O-])c1 CCOC(=O)[*:1] O=C(N/C(=C\c1ccc2OCOc2c1)[*:1])c1cccc(c1)[N+](=O)[O-]
CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc([N+](=O)[O-])c1 c1cc2OCOc2cc1[*:1] CCOC(=O)C(=C[*:1])NC(=O)c1cccc(c1)[N+](=O)[O-]
CCCCCn1nc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c2ccccc2c1=O CCCCC[*:1] O=C(NC1CCN(CC1)C(=O)C1CC1)c1nn(c(=O)c2ccccc12)[*:1]
CCCCCn1nc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c2ccccc2c1=O C1CC1[*:1] CCCCCn1nc(C(=O)NC2CCN(CC2)C(=O)[*:1])c2ccccc2c1=O
CCCCCn1nc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c2ccccc2c1=O CCCC[*:1] O=C(NC1CCN(CC1)C(=O)C1CC1)c1nn(C[*:1])c(=O)c2ccccc12
CCCCCn1nc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c2ccccc2c1=O CCC[*:1] O=C(NC1CCN(CC1)C(=O)C1CC1)c1nn(CC[*:1])c(=O)c2ccccc12
CCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C)C(=O)N23)cc1 CCc1ccc(cc1)[*:1] C[C@H]1N=C2c3ccccc3N=C(SCC(=O)N[*:1])N2C1=O
Cc1ccc(Cl)cc1N1C[C@H](C(=O)OCc2nccn2C)CC1=O Cn1ccnc1C[*:1] Cc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)O[*:1]
Cc1ccc(Cl)cc1N1C[C@H](C(=O)OCc2nccn2C)CC1=O Cc1ccc(Cl)cc1[*:1] Cn1ccnc1COC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(Cl)cc1N1C[C@H](C(=O)OCc2nccn2C)CC1=O Cn1ccnc1[*:1] Cc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)OC[*:1]
CC[C@H](C)N(CC)c1c(C[NH2+]C2CC2)c(C)nn1C CC[C@H](C)[*:1] CCN(c1c(C[NH2+]C2CC2)c(C)nn1C)[*:1]
CC[C@H](C)N(CC)c1c(C[NH2+]C2CC2)c(C)nn1C C1CC1[*:1] CC[C@H](C)N(CC)c1c(C[NH2+][*:1])c(C)nn1C
Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccccc1OCC1CC1 C1CC1C[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccccc1O[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccccc1OCC1CC1 C1CC1CO[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccccc1[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccccc1OCC1CC1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)Nc1ccccc1OCC1CC1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccccc1OCC1CC1 C1CC1[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccccc1OC[*:1]
CCOc1ccc(S(=O)(=O)Nc2c[nH]nc2C)cc1Br Cc1n[nH]cc1[*:1] CCOc1ccc(cc1Br)S(=O)(=O)N[*:1]
CCOc1ccc(S(=O)(=O)Nc2c[nH]nc2C)cc1Br CCO[*:1] Cc1n[nH]cc1NS(=O)(=O)c1ccc(c(Br)c1)[*:1]
C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NC(=O)NCCc1cccs1 c1csc(c1)C[*:1] C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NC(=O)NC[*:1]
C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NC(=O)NCCc1cccs1 c1csc(c1)[*:1] C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NC(=O)NCC[*:1]
C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NC(=O)NCCc1cccs1 c1csc(c1)CC[*:1] C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NC(=O)N[*:1]
OC1CCN(c2[nH+]cccc2NCc2ncc(-c3ccccc3)s2)CC1 c1ccc(cc1)[*:1] OC1CCN(CC1)c1[nH+]cccc1NCc1ncc(s1)[*:1]
OC1CCN(c2[nH+]cccc2NCc2ncc(-c3ccccc3)s2)CC1 OC1CCN(CC1)[*:1] c1ccc(cc1)-c1cnc(CNc2ccc[nH+]c2[*:1])s1
CCC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccccc2Cl)CCO1 Clc1ccccc1[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@H](C)NC(=O)[*:1]
CCC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccccc2Cl)CCO1 CCC[*:1] C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@@H](C1)[*:1]
c1ccc(-c2noc(C3CC[NH+](Cc4cncs4)CC3)n2)cc1 c1ncc(s1)[*:1] c1ccc(cc1)-c1noc(n1)C1CC[NH+](CC1)C[*:1]
c1ccc(-c2noc(C3CC[NH+](Cc4cncs4)CC3)n2)cc1 c1ccc(cc1)[*:1] c1ncc(C[NH+]2CCC(CC2)c2nc(no2)[*:1])s1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(cc1)[N+](=O)[O-])c1ccco1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 c1ccc(cc1)C[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc(cc1)[N+](=O)[O-])[*:1])c1ccco1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 O=C(c1ccco1)[*:1] O=C1C([O-])=C([C@@H](c2ccc(cc2)[N+](=O)[O-])N1Cc1ccccc1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 O=[N+]([O-])[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(cc1)[*:1])c1ccco1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 c1coc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(cc2)[N+](=O)[O-])N1Cc1ccccc1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1[*:1])c1ccco1
O=C(Nc1ccc2oc(C3CC3)nc2c1)N1C[C@H]2CCCC[C@H]2C1 C1CC1[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])N1C[C@H]2CCCC[C@H]2C1
CC(=O)Nc1c(C)cc(NC(=O)Nc2cc(Cl)ccc2C)cc1C CC(=O)N[*:1] Cc1ccc(Cl)cc1NC(=O)Nc1cc(C)c(c(C)c1)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)Nc2cc(Cl)ccc2C)cc1C Cc1ccc(Cl)cc1[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N[*:1]
Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C)c(Cl)c2)c1 Cc1ccc(cc1Cl)[*:1] Cc1cccc(c1)-c1n[nH]c(=S)n1CCC(=O)N[*:1]
Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C)c(Cl)c2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)CCn1c(n[nH]c1=S)[*:1]
CC(C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 CC(C)C[*:1] C[C@H]([NH2+][C@@H](C)[*:1])[C@@H]1CN(C)CCO1
CC(C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 CC(C)[*:1] C[C@@H](C[*:1])[NH2+][C@@H](C)[C@@H]1CN(C)CCO1
CC(=O)Nc1cccc(C(=O)OCc2cnn(-c3ccccc3)c2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)C(=O)OCc1cnn(c1)[*:1]
CC(=O)Nc1cccc(C(=O)OCc2cnn(-c3ccccc3)c2)c1 CC(=O)N[*:1] O=C(OCc1cnn(c1)-c1ccccc1)c1cccc(c1)[*:1]
O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1ccccn1 c1ccc(C[*:1])nc1 O=C1N(CCC[C@]1(O)C[NH2+][*:1])CC1CCCCC1
O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1ccccn1 C1CCC(CC1)[*:1] O=C1N(CCC[C@]1(O)C[NH2+]Cc1ccccn1)C[*:1]
O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1ccccn1 c1ccc(nc1)[*:1] O=C1N(CCC[C@]1(O)C[NH2+]C[*:1])CC1CCCCC1
O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1ccccn1 C1CCC(CC1)C[*:1] O=C1N(CCC[C@]1(O)C[NH2+]Cc1ccccn1)[*:1]
Cc1cc(F)ccc1[C@@H](O)Cc1nccs1 c1csc(n1)[*:1] Cc1cc(F)ccc1[C@@H](O)C[*:1]
CCOC(=O)c1ncn(CC23CC4CC(CC(C4)C2)C3)c1N CCOC(=O)[*:1] Nc1c(ncn1CC12CC3CC(CC(C3)C1)C2)[*:1]
COc1ccc(CN(C(=O)c2cc(C(C)C)n(C)n2)[C@@H](C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)c1cc(C(C)C)n(C)n1)[C@@H](C)[*:1]
COc1ccc(CN(C(=O)c2cc(C(C)C)n(C)n2)[C@@H](C)C2CC2)cc1 COc1ccc(cc1)[*:1] CC(C)c1cc(nn1C)C(=O)N(C[*:1])[C@@H](C)C1CC1
COc1ccc(CN(C(=O)c2cc(C(C)C)n(C)n2)[C@@H](C)C2CC2)cc1 CC(C)[*:1] COc1ccc(cc1)CN(C(=O)c1cc(n(C)n1)[*:1])[C@@H](C)C1CC1
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)[C@H](C#N)[*:1])-c1ccc(F)cc1
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)[C@H](C#N)c1ccc(F)cc1)[*:1]
CCc1ncc(C(=O)NCc2cc(-c3cccc(Cl)c3)no2)cn1 Clc1cccc(c1)[*:1] CCc1ncc(cn1)C(=O)NCc1cc(no1)[*:1]
CCc1ncc(C(=O)NCc2cc(-c3cccc(Cl)c3)no2)cn1 CCc1ncc(cn1)[*:1] O=C(NCc1cc(no1)-c1cccc(Cl)c1)[*:1]
CC(C)(C)c1nnc(SCc2coc(-c3ccc(F)c(F)c3)n2)n1N CC(C)(C)[*:1] Nn1c(nnc1[*:1])SCc1coc(n1)-c1ccc(F)c(F)c1
CC(C)(C)c1nnc(SCc2coc(-c3ccc(F)c(F)c3)n2)n1N Fc1ccc(cc1F)[*:1] CC(C)(C)c1nnc(SCc2coc(n2)[*:1])n1N
CCNC(=O)c1cccc(NC(=O)CNc2cccc(F)c2C)c1 CCNC(=O)[*:1] Cc1c(F)cccc1NCC(=O)Nc1cccc(c1)[*:1]
CCNC(=O)c1cccc(NC(=O)CNc2cccc(F)c2C)c1 Cc1c(F)cccc1[*:1] CCNC(=O)c1cccc(c1)NC(=O)CN[*:1]
Cn1cccc1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 Cn1cccc1C[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1n[nH]c2ccccc12
Cn1cccc1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 Cn1cccc1[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(C1)c1n[nH]c2ccccc12
Cc1c(Cl)cccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1C[*:1]
Cc1c(Cl)cccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1c(Cl)cccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1c(Cl)cccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 Cc1c(Cl)cccc1[*:1] O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)N[*:1]
Cc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(C)c(F)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1ccc(cc1F)NC(=O)C(=O)N[C@@H](C)[*:1]
CCOC(=O)CCC(=O)C[C@H]1CCOC2(CCCC2)C1 CCOC(=O)C[*:1] O=C(C[C@H]1CCOC2(CCCC2)C1)C[*:1]
CCOC(=O)CCC(=O)C[C@H]1CCOC2(CCCC2)C1 CCOC(=O)[*:1] O=C(CC[*:1])C[C@H]1CCOC2(CCCC2)C1
CCOc1ccc(NC(=O)N(C)C[C@H]2CCCO2)c(C(F)(F)F)c1 CCO[*:1] CN(C[C@H]1CCCO1)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
CCOc1ccc(NC(=O)N(C)C[C@H]2CCCO2)c(C(F)(F)F)c1 C1CO[C@H](C1)[*:1] CCOc1ccc(NC(=O)N(C)C[*:1])c(c1)C(F)(F)F
CCOc1ccc(NC(=O)N(C)C[C@H]2CCCO2)c(C(F)(F)F)c1 FC(F)(F)[*:1] CCOc1ccc(NC(=O)N(C)C[C@H]2CCCO2)c(c1)[*:1]
C[C@H]([NH2+]CCNC(=O)c1ccco1)c1nccs1 c1coc(c1)[*:1] C[C@H]([NH2+]CCNC(=O)[*:1])c1nccs1
C[C@H]([NH2+]CCNC(=O)c1ccco1)c1nccs1 c1csc(n1)[*:1] C[C@H]([NH2+]CCNC(=O)c1ccco1)[*:1]
Cc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c2c(C)nn(C)c2n1 O=[N+]([O-])[*:1] Cc1cc(C(=O)NC(C)(C)c2ccc(cc2)[*:1])c2c(C)nn(C)c2n1
Cc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c2c(C)nn(C)c2n1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(C(=O)NC(C)(C)[*:1])c2c(C)nn(C)c2n1
Cc1cc(C)cc([C@@H]2CCCN2C(=O)c2nccn3ccnc23)c1 Cc1cc(C)cc(c1)[*:1] O=C(c1nccn2ccnc12)N1CCC[C@H]1[*:1]
COc1cc([N+](=O)[O-])cc2c1=[NH+][C@H](C(=O)[O-])C=2CC[NH3+] O=[N+]([O-])[*:1] COc1cc(cc2=C(CC[NH3+])[C@H]([NH+]=c12)C(=O)[O-])[*:1]
COc1cc([N+](=O)[O-])cc2c1=[NH+][C@H](C(=O)[O-])C=2CC[NH3+] O=C([O-])[*:1] COc1cc(cc2=C(CC[NH3+])[C@@H]([NH+]=c12)[*:1])[N+](=O)[O-]
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1csc(-c2cnccn2)n1 Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])N(C)C(=O)c1csc(n1)-c1cnccn1
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1csc(-c2cnccn2)n1 Cc1ccc(cc1)C[*:1] CC[C@H](N(C)C(=O)c1csc(n1)-c1cnccn1)[*:1]
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1csc(-c2cnccn2)n1 c1cnc(cn1)[*:1] CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1csc(n1)[*:1]
O=C(c1cc[nH]n1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cc[nH]n1)N1CC[C@@H]2[C@@H](CCC(=O)N2CC[*:1])C1
O=C(c1cc[nH]n1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1 c1cc(n[nH]1)[*:1] O=C1CC[C@H]2CN(CC[C@H]2N1CCc1ccccc1)C(=O)[*:1]
O=C(c1cc[nH]n1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1cc[nH]n1)N1CC[C@@H]2[C@@H](CCC(=O)N2C[*:1])C1
O=C(c1cc[nH]n1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(c1cc[nH]n1)N1CC[C@@H]2[C@@H](CCC(=O)N2[*:1])C1
C=CCN(CCc1ccccc1)C(=O)[C@H]1C[C@H]2CC[C@@H]1O2 c1ccc(cc1)[*:1] C=CCN(CC[*:1])C(=O)[C@H]1C[C@H]2CC[C@@H]1O2
C=CCN(CCc1ccccc1)C(=O)[C@H]1C[C@H]2CC[C@@H]1O2 C=CC[*:1] O=C([C@H]1C[C@H]2CC[C@@H]1O2)N(CCc1ccccc1)[*:1]
C=CCN(CCc1ccccc1)C(=O)[C@H]1C[C@H]2CC[C@@H]1O2 c1ccc(cc1)C[*:1] C=CCN(C[*:1])C(=O)[C@H]1C[C@H]2CC[C@@H]1O2
O=C([O-])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1CSCC1=O O=C([O-])[*:1] O=C1CSCN1CC(=O)N1[C@@H]2CCCC[C@H]2C[C@@H]1[*:1]
O=C([O-])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1CSCC1=O O=C1CSCN1[*:1] O=C([O-])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[*:1]
O=C([O-])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1CSCC1=O O=C1CSCN1C[*:1] O=C([O-])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccc(c1)OC[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)CO[*:1] CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccc(c1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccc(OCc2cccnc2)c1 CNC(=O)[*:1] C[C@H](CN(C)C(=O)Nc1cccc(c1)OCc1cccnc1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccc(c1)O[*:1]
Cc1ccc(Sc2nccnc2Oc2ccc(C(=O)N3CCCCC3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc(cc1)Oc1nccnc1S[*:1])N1CCCCC1
Cc1ccc(Sc2nccnc2Oc2ccc(C(=O)N3CCCCC3)cc2)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)Sc1nccnc1Oc1ccc(cc1)[*:1]
Cc1ccc(Sc2nccnc2Oc2ccc(C(=O)N3CCCCC3)cc2)cc1 Cc1ccc(cc1)S[*:1] O=C(c1ccc(cc1)Oc1nccnc1[*:1])N1CCCCC1
CC(C)[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)C(=O)N1CCCC1 CC(C)[*:1] O=C([C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)[*:1])N1CCCC1
CC(C)[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)[*:1]
Cc1ccc([C@@H](CNC(=O)C[C@@H](O)c2ccccc2)N2CCOCC2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)C[C@@H](O)[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)C[C@@H](O)c2ccccc2)N2CCOCC2)o1 Cc1ccc(o1)[*:1] O=C(C[C@@H](O)c1ccccc1)NC[C@@H](N1CCOCC1)[*:1]
Cc1ccc([C@@H](CNC(=O)C[C@@H](O)c2ccccc2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)C[C@@H](O)c1ccccc1)[*:1]
Cc1ccc([C@@H](CNC(=O)C[C@@H](O)c2ccccc2)N2CCOCC2)o1 O[C@@H](c1ccccc1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)C[*:1])N1CCOCC1
CC[NH+]1CCN(c2cc(CNc3cccc(C(=O)OC)n3)cc[nH+]2)CC1 COC(=O)[*:1] CC[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNc1cccc(n1)[*:1]
CCOc1ccc(NC(=O)c2cnn3cc(Br)cnc23)cc1F CCO[*:1] O=C(Nc1ccc(c(F)c1)[*:1])c1cnn2cc(Br)cnc12
CCCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C CCCCO[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)Nc1ccc(Cl)cn1
CCCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C CCC[*:1] Cc1cc(ccc1OC[*:1])S(=O)(=O)Nc1ccc(Cl)cn1
CCCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C CCCC[*:1] Cc1cc(ccc1O[*:1])S(=O)(=O)Nc1ccc(Cl)cn1
CCCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C Clc1ccc(nc1)[*:1] CCCCOc1ccc(cc1C)S(=O)(=O)N[*:1]
O=CNCCCc1nc2ccccc2n1CCc1ccccc1 O=CNCCC[*:1] c1ccc(cc1)CCn1c(nc2ccccc21)[*:1]
O=CNCCCc1nc2ccccc2n1CCc1ccccc1 O=CN[*:1] c1ccc(cc1)CCn1c(CCC[*:1])nc2ccccc21
O=CNCCCc1nc2ccccc2n1CCc1ccccc1 c1ccc(cc1)C[*:1] O=CNCCCc1nc2ccccc2n1C[*:1]
O=CNCCCc1nc2ccccc2n1CCc1ccccc1 O=CNCC[*:1] c1ccc(cc1)CCn1c(C[*:1])nc2ccccc21
O=CNCCCc1nc2ccccc2n1CCc1ccccc1 O=CNC[*:1] c1ccc(cc1)CCn1c(CC[*:1])nc2ccccc21
O=CNCCCc1nc2ccccc2n1CCc1ccccc1 c1ccc(cc1)[*:1] O=CNCCCc1nc2ccccc2n1CC[*:1]
CC[C@@H]1CCC/C1=N\NC(=O)CCC(=O)Nc1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CC[C@@H]1CCC/C1=N\NC(=O)CCC(=O)N[*:1]
COc1ccc(N2C(=O)CCCC2=O)cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 O=C1CCCC(=O)N1[*:1] COc1ccc(cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1)[*:1]
C#CC[C@@](C)(OC(N)=O)C(Cl)(Cl)Cl NC(=O)O[*:1] C#CC[C@@](C)(C(Cl)(Cl)Cl)[*:1]
C#CC[C@@](C)(OC(N)=O)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] C#CC[C@@](C)(OC(N)=O)[*:1]
C#CC[C@@](C)(OC(N)=O)C(Cl)(Cl)Cl C#CC[*:1] C[C@@](OC(N)=O)(C(Cl)(Cl)Cl)[*:1]
C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)[*:1]
C[C@@H]1CCc2nc(CN(CCS(C)(=O)=O)C(C)(C)C)sc2C1 CS(=O)(=O)CC[*:1] C[C@@H]1CCc2nc(CN(C(C)(C)C)[*:1])sc2C1
C[C@@H]1CCc2nc(CN(CCS(C)(=O)=O)C(C)(C)C)sc2C1 CS(=O)(=O)C[*:1] C[C@@H]1CCc2nc(CN(C[*:1])C(C)(C)C)sc2C1
C[C@@H]1CCc2nc(CN(CCS(C)(=O)=O)C(C)(C)C)sc2C1 CC(C)(C)[*:1] C[C@@H]1CCc2nc(CN(CCS(C)(=O)=O)[*:1])sc2C1
C[C@@H]1CCc2nc(CN(CCS(C)(=O)=O)C(C)(C)C)sc2C1 CS(=O)(=O)[*:1] C[C@@H]1CCc2nc(CN(CC[*:1])C(C)(C)C)sc2C1
COC(=O)/C(C)=C/Cn1cnc(C(=O)OC)n1 COC(=O)[*:1] COC(=O)c1ncn(CC=C(C)[*:1])n1
COC(=O)/C(C)=C/Cn1cnc(C(=O)OC)n1 COC(=O)[*:1] COC(=O)/C(C)=C/Cn1cnc(n1)[*:1]
CCC[NH2+]Cc1nc2c(F)cccc2[nH]1 CCC[*:1] Fc1cccc2[nH]c(C[NH2+][*:1])nc12
CC(C)[C@@H](NC(=O)[C@@](C)(N)C(F)(F)F)C(=O)[O-] FC(F)(F)[*:1] CC(C)[C@@H](NC(=O)[C@@](C)(N)[*:1])C(=O)[O-]
CC(C)[C@@H](NC(=O)[C@@](C)(N)C(F)(F)F)C(=O)[O-] CC(C)[*:1] C[C@@](N)(C(=O)N[C@@H](C(=O)[O-])[*:1])C(F)(F)F
CC(C)[C@@H](NC(=O)[C@@](C)(N)C(F)(F)F)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](NC(=O)[C@@](C)(N)C(F)(F)F)[*:1]
COc1ccc(CCNC(=O)[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] COc1ccc(cc1)CCNC(=O)[*:1]
CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C=C(c3ccc(C)cc3C)N=N2)CC1 Cc1ccc(c(C)c1)[*:1] CCS(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C=C(N=N1)[*:1]
O=C(NC(=S)NNc1ccccc1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(NC(=S)NN[*:1])c1ccc2OCOc2c1
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(-c2ccc(F)cc2)s1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1N1CCOCC1)[*:1])c1ccc(s1)-c1ccc(F)cc1
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(-c2ccc(F)cc2)s1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1[*:1])N1CCOCC1)c1ccc(s1)-c1ccc(F)cc1
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(-c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1N1CCOCC1)N1CCOCC1)c1ccc(s1)[*:1]
CO[C@@H](C)C(=O)N[C@H](c1ccccc1F)C1CCCC1 CO[C@@H](C)[*:1] O=C(N[C@H](c1ccccc1F)C1CCCC1)[*:1]
CO[C@@H](C)C(=O)N[C@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] CO[C@@H](C)C(=O)N[C@H](c1ccccc1F)[*:1]
Cc1ccc(C[C@H]([NH3+])C2(CC(C)C)CCCC2)nc1 CC(C)[*:1] Cc1ccc(C[C@H]([NH3+])C2(CCCC2)C[*:1])nc1
Cc1ccc(C[C@H]([NH3+])C2(CC(C)C)CCCC2)nc1 CC(C)C[*:1] Cc1ccc(C[C@H]([NH3+])C2(CCCC2)[*:1])nc1
COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 COc1ccc(C)cc1[*:1] Cc1ccc(o1)-c1cc(C(=O)N[*:1])c2ccccc2n1
COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 Cc1ccc(o1)[*:1] COc1ccc(C)cc1NC(=O)c1cc(nc2ccccc12)[*:1]
COc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)C1CCCCC1 C1CCC(CC1)[*:1] COc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)[*:1]
Cc1ccc(NC(=O)C(=O)NCc2ncn(C)n2)c(Cl)c1 Cn1cnc(n1)[*:1] Cc1ccc(NC(=O)C(=O)NC[*:1])c(Cl)c1
Cc1ccc(NC(=O)C(=O)NCc2ncn(C)n2)c(Cl)c1 Cn1cnc(C[*:1])n1 Cc1ccc(NC(=O)C(=O)N[*:1])c(Cl)c1
Cc1noc(C)c1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(Cl)ccc1Cl Cc1noc(C)c1[*:1] O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] Cc1noc(C)c1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 Cc1cc(C)nc(n1)[*:1] N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)c1ccccc1CS[*:1]
Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 N#Cc1ccc(cc1)C[*:1] Cc1cc(C)nc(n1)SCc1ccccc1C(=O)N1CCN(CC1)[*:1]
Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 Cc1cc(C)nc(n1)SC[*:1] N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)c1ccccc1[*:1]
Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 Cc1cc(C)nc(n1)S[*:1] N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)c1ccccc1C[*:1]
Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 N#Cc1ccc(cc1)[*:1] Cc1cc(C)nc(n1)SCc1ccccc1C(=O)N1CCN(CC1)C[*:1]
O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCc2nnc3ccccn23)cc1 c1ccn2c(C[*:1])nnc2c1 O=C(C[C@H]1SC(=NC1=O)N1CCCC1)Nc1ccc(cc1)C(=O)N[*:1]
O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCc2nnc3ccccn23)cc1 c1ccn2c(nnc2c1)[*:1] O=C(C[C@H]1SC(=NC1=O)N1CCCC1)Nc1ccc(cc1)C(=O)NC[*:1]
CCCNC(=O)c1ccc(NC(=O)/C=C\c2cccs2)cc1 C(=C[*:1])c1cccs1 CCCNC(=O)c1ccc(cc1)NC(=O)[*:1]
CCCNC(=O)c1ccc(NC(=O)/C=C\c2cccs2)cc1 CCC[*:1] O=C(/C=C\c1cccs1)Nc1ccc(cc1)C(=O)N[*:1]
CCCNC(=O)c1ccc(NC(=O)/C=C\c2cccs2)cc1 c1csc(c1)[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)C=C[*:1]
CCCNC(=O)c1ccc(NC(=O)/C=C\c2cccs2)cc1 CCCNC(=O)[*:1] O=C(/C=C\c1cccs1)Nc1ccc(cc1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)C[NH+](Cc2ccco2)Cc2ccco2)C1 c1coc(c1)[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)C[NH+](Cc1ccco1)C[*:1]
CC(=O)N[C@H]1CCCN(C(=O)C[NH+](Cc2ccco2)Cc2ccco2)C1 CC(=O)N[*:1] O=C(C[NH+](Cc1ccco1)Cc1ccco1)N1CCC[C@@H](C1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)C[NH+](Cc2ccco2)Cc2ccco2)C1 c1coc(c1)C[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)C[NH+](Cc1ccco1)[*:1]
CCCCS(=O)(=O)N[C@H](C)C(=O)N1CCc2ccccc21 CCC[*:1] C[C@@H](NS(=O)(=O)C[*:1])C(=O)N1CCc2ccccc21
CCCCS(=O)(=O)N[C@H](C)C(=O)N1CCc2ccccc21 CCCC[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)N1CCc2ccccc21
Cc1ccc([C@H](NC(=O)[C@@H]2CCCO2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](NC(=O)[C@@H]1CCCO1)[*:1]
Cc1ccc([C@H](NC(=O)[C@@H]2CCCO2)c2ccccc2)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)[C@H](NC(=O)[*:1])c1ccccc1
Cc1ccc([C@H](NC(=O)[C@@H]2CCCO2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])[C@@H]1CCCO1
Cc1cccc(C(=O)N2CCCN(C(=O)NC[C@@H]3CCOC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@@H]1CCOC1)N1CCCN(CC1)C(=O)[*:1]
Cc1ccc2c(c1)CCN2C(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C Cc1nnnn1[*:1] Cc1ccc2c(c1)CCN2C(=O)[C@@H](Cc1cccc(F)c1)[*:1]
Cc1ccc2c(c1)CCN2C(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C Fc1cccc(c1)C[*:1] Cc1ccc2c(c1)CCN2C(=O)[C@@H](n1nnnc1C)[*:1]
Cc1ccc2c(c1)CCN2C(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C Fc1cccc(c1)[*:1] Cc1ccc2c(c1)CCN2C(=O)[C@@H](C[*:1])n1nnnc1C
CCc1ccccc1NC(=O)[C@]12CC[C@H](c3nc(C#N)c(C#N)nc31)C2(C)C CCc1ccccc1[*:1] CC1(C)[C@@H]2CC[C@@]1(C(=O)N[*:1])c1nc(C#N)c(C#N)nc12
Cc1nc2ccc(N(C)CC(=O)N3CCC(C(N)=O)CC3)cc2s1 NC(=O)[*:1] Cc1nc2ccc(cc2s1)N(C)CC(=O)N1CCC(CC1)[*:1]
Cc1nn(C)c(C)c1CCNC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Cc1nn(C)c(C)c1[*:1] O=C(CC1CCN(CC1)S(=O)(=O)c1cccc(F)c1)NCC[*:1]
Cc1nn(C)c(C)c1CCNC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] Cc1nn(C)c(C)c1CCNC(=O)CC1CCN(CC1)S(=O)(=O)[*:1]
Cc1nn(C)c(C)c1CCNC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Cc1nn(C)c(C)c1C[*:1] O=C(CC1CCN(CC1)S(=O)(=O)c1cccc(F)c1)NC[*:1]
Cc1nn(C)c(C)c1CCNC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Cc1nn(C)c(C)c1CC[*:1] O=C(CC1CCN(CC1)S(=O)(=O)c1cccc(F)c1)N[*:1]
COC(=O)Nc1cc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F COC(=O)N[*:1] O=C(Nc1ccc(F)c(c1)[*:1])N[C@H]1CCC[C@H](C1)C(F)(F)F
COC(=O)Nc1cc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F FC(F)(F)[*:1] COC(=O)Nc1cc(ccc1F)NC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
O=C(Nc1ccccn1)c1cc(-c2cccs2)[nH]n1 c1ccc(nc1)[*:1] O=C(N[*:1])c1cc([nH]n1)-c1cccs1
O=C(Nc1ccccn1)c1cc(-c2cccs2)[nH]n1 c1csc(c1)[*:1] O=C(Nc1ccccn1)c1cc([nH]n1)[*:1]
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc(N(C)C)c2)o1 O=C([O-])[*:1] Cc1cc(ccc1-c1ccc(/C=N/NC(=O)c2cccc(c2)N(C)C)o1)[*:1]
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc(N(C)C)c2)o1 CN(C)c1cccc(c1)[*:1] Cc1cc(ccc1-c1ccc(/C=N/NC(=O)[*:1])o1)C(=O)[O-]
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc(N(C)C)c2)o1 CN(C)[*:1] Cc1cc(ccc1-c1ccc(/C=N/NC(=O)c2cccc(c2)[*:1])o1)C(=O)[O-]
CCCNC(=S)NNC(=O)c1cc(C)oc1C CCC[*:1] Cc1cc(C(=O)NNC(=S)N[*:1])c(C)o1
CCOc1cccc([C@H](C)NC(=O)NC2CCCCC2)c1 CCO[*:1] C[C@H](NC(=O)NC1CCCCC1)c1cccc(c1)[*:1]
CCOc1cccc([C@H](C)NC(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] CCOc1cccc(c1)[C@H](C)NC(=O)N[*:1]
CC(=O)[C@H](C)S[C@@H](C(=O)N[C@H]1CCOc2ccccc21)C(C)C CC(C)[*:1] CC(=O)[C@H](C)S[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[*:1]
CC(=O)[C@H](C)S[C@@H](C(=O)N[C@H]1CCOc2ccccc21)C(C)C CC(=O)[*:1] CC(C)[C@@H](S[C@@H](C)[*:1])C(=O)N[C@H]1CCOc2ccccc21
CC(=O)[C@H](C)S[C@@H](C(=O)N[C@H]1CCOc2ccccc21)C(C)C CC(=O)[C@H](C)[*:1] CC(C)[C@@H](S[*:1])C(=O)N[C@H]1CCOc2ccccc21
COc1ccc(Br)cc1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(Br)cc1CN1C(=O)N[C@@](C)(C1=O)[*:1]
COc1ccc(Br)cc1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] COc1ccc(Br)cc1CN1C(=O)N[C@](C)(C1=O)c1cccc(c1)[*:1]
COc1ccc(Br)cc1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O COc1ccc(Br)cc1[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cccc(c1)[N+](=O)[O-]
Cc1ccc(-c2csc3nc(CSc4nnnn4C)[nH]c(=O)c23)s1 Cn1nnnc1S[*:1] Cc1ccc(s1)-c1csc2nc(C[*:1])[nH]c(=O)c12
Cc1ccc(-c2csc3nc(CSc4nnnn4C)[nH]c(=O)c23)s1 Cc1ccc(s1)[*:1] Cn1nnnc1SCc1nc2scc(c2c(=O)[nH]1)[*:1]
Cc1ccc(-c2csc3nc(CSc4nnnn4C)[nH]c(=O)c23)s1 Cn1nnnc1SC[*:1] Cc1ccc(s1)-c1csc2nc([nH]c(=O)c12)[*:1]
Cc1ccc(-c2csc3nc(CSc4nnnn4C)[nH]c(=O)c23)s1 Cn1nnnc1[*:1] Cc1ccc(s1)-c1csc2nc(CS[*:1])[nH]c(=O)c12
O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1ccc2ccccc2n1 C1CCC(C1)[*:1] O=C(Nc1ccc2CCN(C(=O)[*:1])c2c1)c1ccc2ccccc2n1
Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2N)c1 c1cc2OCOc2cc1[*:1] Cc1cccc(c1)-c1nnc(SCC(=O)N[*:1])n1N
Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2N)c1 Cc1cccc(c1)[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1ccc2OCOc2c1
C/C(=C\C(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C/C(=C\C(=O)Nc1cccc(c1)C(F)(F)F)NNC(=O)C(=O)N[*:1]
C/C(=C\C(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)C(=O)NC1CCCCC1 FC(F)(F)[*:1] C/C(=C\C(=O)Nc1cccc(c1)[*:1])NNC(=O)C(=O)NC1CCCCC1
NC(=O)c1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1 NC(=O)[*:1] C1=CC[C@H](CC1)C[NH2+]Cc1cccc(c1)[*:1]
Cc1cc(C)nc(N[C@@H](CCl)C(C)C)n1 CC(C)[*:1] Cc1cc(C)nc(n1)N[C@@H](CCl)[*:1]
Cc1c[nH+]c(N2C[C@H](C3CC3)[C@@H]([NH3+])C2)nc1N(C)C CN(C)[*:1] Cc1c[nH+]c(nc1[*:1])N1C[C@H](C2CC2)[C@@H]([NH3+])C1
Cc1c[nH+]c(N2C[C@H](C3CC3)[C@@H]([NH3+])C2)nc1N(C)C C1CC1[*:1] Cc1c[nH+]c(nc1N(C)C)N1C[C@H]([C@@H]([NH3+])C1)[*:1]
Cc1ccccc1N1C[C@@H](C(=O)NCCCc2nnc(N)s2)CC1=O Nc1nnc(C[*:1])s1 Cc1ccccc1N1C[C@H](CC1=O)C(=O)NCC[*:1]
Cc1ccccc1N1C[C@@H](C(=O)NCCCc2nnc(N)s2)CC1=O Cc1ccccc1[*:1] Nc1nnc(CCCNC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
Cc1ccccc1N1C[C@@H](C(=O)NCCCc2nnc(N)s2)CC1=O Nc1nnc(s1)[*:1] Cc1ccccc1N1C[C@H](CC1=O)C(=O)NCCC[*:1]
Cc1ccccc1N1C[C@@H](C(=O)NCCCc2nnc(N)s2)CC1=O Nc1nnc(CC[*:1])s1 Cc1ccccc1N1C[C@H](CC1=O)C(=O)NC[*:1]
CC(C)(C)[C@H](Cl)CC[C@@H]1COc2ccccc21 CC(C)(C)[*:1] Cl[C@H](CC[C@@H]1COc2ccccc21)[*:1]
COc1cccc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1cc(N)n(n1)S(=O)(=O)C[*:1]
COc1cccc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)-c1cc(N)n(n1)S(=O)(=O)[*:1]
COc1cccc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c1 COc1cccc(c1)[*:1] Nc1cc(nn1S(=O)(=O)Cc1ccccc1)[*:1]
COc1ccc(N2CC3=C(C2=O)[C@H](c2cc(OC)ccc2OC)NC(=O)N3C)cc1 COc1ccc(OC)c(c1)[*:1] COc1ccc(cc1)N1CC2=C(C1=O)[C@H](NC(=O)N2C)[*:1]
COc1ccc(N2CC3=C(C2=O)[C@H](c2cc(OC)ccc2OC)NC(=O)N3C)cc1 COc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1NC(=O)N(C)C2CN(C(=O)C=21)[*:1]
COc1cccc2c1CC[C@H]2[NH2+][C@H](C)CCN1CCOCC1 C1CN(CCO1)[*:1] COc1cccc2c1CC[C@H]2[NH2+][C@H](C)CC[*:1]
COc1cccc2c1CC[C@H]2[NH2+][C@H](C)CCN1CCOCC1 C1CN(CCO1)C[*:1] COc1cccc2c1CC[C@H]2[NH2+][C@H](C)C[*:1]
CCS(=O)(=O)[C@H](C)C(=O)Nc1ccccc1Cl CCS(=O)(=O)[*:1] C[C@H](C(=O)Nc1ccccc1Cl)[*:1]
COc1ccccc1C(=O)NNc1ncnc(N2CCCCC2)c1[N+](=O)[O-] COc1ccccc1[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])N1CCCCC1)[*:1]
COc1ccccc1C(=O)NNc1ncnc(N2CCCCC2)c1[N+](=O)[O-] C1CCN(CC1)[*:1] COc1ccccc1C(=O)NNc1ncnc(c1[N+](=O)[O-])[*:1]
COc1ccccc1C(=O)NNc1ncnc(N2CCCCC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1C(=O)NNc1ncnc(c1[*:1])N1CCCCC1
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)C1 CCOC(=O)[*:1] O=C(Cc1ccccc1)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)C1 c1ccc(cc1)C[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)NC(=O)C[*:1]
C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] C[C@H](c1nnc(o1)-c1cccs1)[NH+]1CCN(CC1)C[*:1]
C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] C[C@H](c1nnc(o1)-c1cccs1)[NH+]1CCN(CC1)[*:1]
C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] C[C@H](c1nnc(o1)[*:1])[NH+]1CCN(CC1)Cc1cccs1
COc1ccc(OC)c(N2C[C@@](O)(c3ccc(Br)cc3)[N+]3=C2CCCCC3)c1 Brc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)N1C[C@@](O)([N+]2CCCCCC=21)[*:1]
CC(C)(C)c1nc2cc(Br)ccc2c(=O)[nH]1 CC(C)(C)[*:1] O=c1[nH]c(nc2cc(Br)ccc12)[*:1]
C#CCNCC(=O)OCC1CCCC1 C#CC[*:1] O=C(CN[*:1])OCC1CCCC1
C#CCNCC(=O)OCC1CCCC1 C#CCN[*:1] O=C(C[*:1])OCC1CCCC1
CC[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2ccc(Cl)cn2)C1 NC(=O)[*:1] CC[NH2+][C@]1(CC[C@@H](C1)Sc1ccc(Cl)cn1)[*:1]
C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H](C[NH3+])Nc1ccc(cc1)[*:1]
Cc1c(-c2cccnc2)nn(Cc2ccccc2)c1N c1cncc(c1)[*:1] Cc1c(nn(Cc2ccccc2)c1N)[*:1]
Cc1c(-c2cccnc2)nn(Cc2ccccc2)c1N c1ccc(cc1)[*:1] Cc1c(nn(C[*:1])c1N)-c1cccnc1
Cc1ccc(-n2c(SCc3cc(=O)n4c(C)csc4n3)nc3ccccc3c2=O)nc1 Cc1ccc(nc1)[*:1] Cc1csc2nc(cc(=O)n12)CSc1nc2ccccc2c(=O)n1[*:1]
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] N#C/C(=C\c1cnn(c1)Cc1ccccc1Cl)C(=O)NC[*:1]
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] N#C/C(=C\c1cnn(c1)Cc1ccccc1Cl)C(=O)N[*:1]
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)NC[C@@H]1CCCO1 Clc1ccccc1C[*:1] N#C/C(=C\c1cnn(c1)[*:1])C(=O)NC[C@@H]1CCCO1
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)NC[C@@H]1CCCO1 Clc1ccccc1[*:1] N#C/C(=C\c1cnn(c1)C[*:1])C(=O)NC[C@@H]1CCCO1
O=S(=O)(C1CCOCC1)N1CC=C(c2ccccc2Cl)CC1 C1CC(CCO1)[*:1] O=S(=O)(N1CC=C(CC1)c1ccccc1Cl)[*:1]
O=S(=O)(C1CCOCC1)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=S(=O)(C1CCOCC1)N1CC=C(CC1)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O NC(=O)[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1Cc2ccccc2C[C@@H]1[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O C[C@@H](c1ccc(F)cc1)[*:1] CN(C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)[*:1]
CCNc1cc(C)ccc1C(=O)N(C)CC[NH+]1CCCC1 CCN[*:1] Cc1ccc(C(=O)N(C)CC[NH+]2CCCC2)c(c1)[*:1]
CC[C@@H](CSC)N(C)C(=O)NCc1ccc([N+]2=CCCC2)cc1 CSC[*:1] CC[C@@H](N(C)C(=O)NCc1ccc(cc1)[N+]1=CCCC1)[*:1]
COc1cccc(CNC(=O)C(=O)Nc2cccnc2C)c1 Cc1ncccc1[*:1] COc1cccc(c1)CNC(=O)C(=O)N[*:1]
O[C@@H](Cn1cnc2c(N3CCCC3)ncnc21)c1cc(F)ccc1F C1CCN(C1)[*:1] O[C@@H](Cn1cnc2c(ncnc21)[*:1])c1cc(F)ccc1F
O[C@@H](Cn1cnc2c(N3CCCC3)ncnc21)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O[C@@H](Cn1cnc2c(ncnc21)N1CCCC1)[*:1]
Cc1ccc(NC(=O)COC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(COC(=O)[C@H]1CCc2[nH]nc(c2C1)C(F)(F)F)N[*:1]
Cc1ccc(NC(=O)COC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c(C)c1 FC(F)(F)[*:1] Cc1ccc(NC(=O)COC(=O)[C@H]2CCc3[nH]nc(c3C2)[*:1])c(C)c1
CN(C(=O)COCC1CC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O C1CC1C[*:1] CN(C(=O)CO[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
CN(C(=O)COCC1CC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O C1CC1COC[*:1] CN(C(=O)[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
CN(C(=O)COCC1CC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O C1CC1[*:1] CN(C(=O)COC[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
CN(C(=O)COCC1CC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)COCC1CC1)[C@H]1CCCC[C@H]1[*:1]
CN(C(=O)COCC1CC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O C1CC1CO[*:1] CN(C(=O)C[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] CCN1CCN(CC1)C(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C[*:1]
CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)CC1 CCN1CCN(CC1)C(=O)[*:1] C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)[*:1]
CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] CCN1CCN(CC1)C(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1[*:1]
CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)CC1 c1ccc2c(c[nH]c2c1)[*:1] CCN1CCN(CC1)C(=O)[C@H](C)Sc1nnc(n1C[C@H]1CCCO1)[*:1]
CC[C@H](C)CN1CCO[C@H](C#N)C1 CC[C@H](C)[*:1] N#C[C@@H]1CN(CCO1)C[*:1]
Cc1n[nH]c(C)c1CCOC(=O)[C@H](C)C1CC1 C[C@H](C1CC1)[*:1] Cc1n[nH]c(C)c1CCOC(=O)[*:1]
Cc1n[nH]c(C)c1CCOC(=O)[C@H](C)C1CC1 C1CC1[*:1] Cc1n[nH]c(C)c1CCOC(=O)[C@H](C)[*:1]
Cc1ccc(CN(C)C(=O)/C=C/c2c(Cl)cccc2Cl)o1 Cc1ccc(C[*:1])o1 CN(C(=O)/C=C/c1c(Cl)cccc1Cl)[*:1]
Cc1ccc(CN(C)C(=O)/C=C/c2c(Cl)cccc2Cl)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)/C=C/c1c(Cl)cccc1Cl
O=C1CCC(=O)N1CCSc1ncc(-c2ccc(F)cc2)[nH]1 Fc1ccc(cc1)[*:1] O=C1CCC(=O)N1CCSc1ncc([nH]1)[*:1]
O=C1CCC(=O)N1CCSc1ncc(-c2ccc(F)cc2)[nH]1 O=C1CCC(=O)N1[*:1] Fc1ccc(cc1)-c1cnc([nH]1)SCC[*:1]
NC(=S)S/C=C/C(=O)[O-] O=C([O-])[*:1] NC(=S)SC=C[*:1]
Cc1ccccc1NC(=O)C[NH+]1CCN(CC(=O)N2CCCC2)CC1 O=C(C[*:1])N1CCCC1 Cc1ccccc1NC(=O)C[NH+]1CCN(CC1)[*:1]
Cc1ccccc1NC(=O)C[NH+]1CCN(CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] Cc1ccccc1NC(=O)C[NH+]1CCN(CC1)C[*:1]
Cc1ccccc1NC(=O)C[NH+]1CCN(CC(=O)N2CCCC2)CC1 Cc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N1CCCC1)N[*:1]
Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NNC(=O)Cc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NNC(=O)C[*:1]
Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NNC(=O)Cc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)C[*:1] Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NNC(=O)[*:1]
Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NNC(=O)Cc1c[nH]c2ccccc12 Fc1ccccc1[*:1] Cc1nn(c(C)c1CC(=O)NNC(=O)Cc1c[nH]c2ccccc12)[*:1]
O=C(Nc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)N2CCCC2)c1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
O=C(Nc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cccc(c1)[*:1]
CSc1cccc(NC(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c1 O=C([O-])[*:1] CSc1cccc(c1)NC(=O)N[C@@H]1C=C[C@@H](C1)[*:1]
COc1cccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(OC)c(Cl)c4)nc23)c1 COc1cccc(c1)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1nc2c(nccn2c1=O)O[*:1]
COc1cccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(OC)c(Cl)c4)nc23)c1 COc1cccc(c1)O[*:1] COc1ccc(cc1Cl)NC(=O)Cn1nc2c(nccn2c1=O)[*:1]
COc1cccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(OC)c(Cl)c4)nc23)c1 COc1ccc(cc1Cl)[*:1] COc1cccc(c1)Oc1nccn2c(=O)n(CC(=O)N[*:1])nc12
Cc1no[n+]([O-])c1CC(C)C CC(C)[*:1] Cc1no[n+]([O-])c1C[*:1]
CCN1C[C@@H](C(=O)NCc2cccnc2)CC1=O c1cncc(c1)[*:1] CCN1C[C@H](CC1=O)C(=O)NC[*:1]
CC(C)(C)c1n[nH]cc1CNc1cccc(CN2CCCCC2=O)c1 CC(C)(C)[*:1] O=C1CCCCN1Cc1cccc(c1)NCc1c[nH]nc1[*:1]
CC(C)(C)c1n[nH]cc1CNc1cccc(CN2CCCCC2=O)c1 O=C1CCCCN1[*:1] CC(C)(C)c1n[nH]cc1CNc1cccc(c1)C[*:1]
CC(C)(C)c1n[nH]cc1CNc1cccc(CN2CCCCC2=O)c1 O=C1CCCCN1C[*:1] CC(C)(C)c1n[nH]cc1CNc1cccc(c1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4ccccc4n3)ccc2C)cc1 CCO[*:1] Cc1ccc(cc1NS(=O)(=O)c1ccc(cc1)[*:1])-c1cn2ccccc2n1
CCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4ccccc4n3)ccc2C)cc1 c1ccn2cc(nc2c1)[*:1] CCOc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C)[*:1]
CCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4ccccc4n3)ccc2C)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1NS(=O)(=O)[*:1])-c1cn2ccccc2n1
CCOc1ccc(CN(C)CN2C(=O)C(=O)N(C)C2=O)cc1 CCO[*:1] CN(Cc1ccc(cc1)[*:1])CN1C(=O)C(=O)N(C)C1=O
CCn1cc(CC(=O)[O-])c2ccccc21 O=C([O-])[*:1] CCn1cc(C[*:1])c2ccccc21
CCn1cc(CC(=O)[O-])c2ccccc21 O=C([O-])C[*:1] CCn1cc(c2ccccc21)[*:1]
CN(C)C(=O)CN1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1 CN(C)C(=O)C[*:1] O=C(CCc1nc(no1)-c1cccnc1)N1CCN(CC1)[*:1]
CN(C)C(=O)CN1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1 CN(C)C(=O)[*:1] O=C(CCc1nc(no1)-c1cccnc1)N1CCN(CC1)C[*:1]
CN(C)C(=O)CN1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1 c1cncc(c1)[*:1] CN(C)C(=O)CN1CCN(CC1)C(=O)CCc1nc(no1)[*:1]
C[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] C[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)[*:1]
C[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)O[*:1]
C[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)Oc1cccc(F)c1 c1cc(ccn1)[*:1] C[C@@H](CNC(=O)NNC(=O)C[*:1])Oc1cccc(F)c1
C[C@@H](CNC(=O)NNC(=O)Cc1ccncc1)Oc1cccc(F)c1 c1cc(ccn1)C[*:1] C[C@@H](CNC(=O)NNC(=O)[*:1])Oc1cccc(F)c1
O=C(NNC(=O)c1ccccn1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 c1ccc(cc1)[*:1] O=C(NNC(=O)c1ccccn1)c1ccc2nc(-c3ccccc3)c(nc2c1)[*:1]
O=C(NNC(=O)c1ccccn1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 c1ccc(nc1)[*:1] O=C(NNC(=O)[*:1])c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1
O=C(NNC(=O)c1ccccn1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 c1ccc(cc1)[*:1] O=C(NNC(=O)c1ccccn1)c1ccc2nc(c(nc2c1)-c1ccccc1)[*:1]
CCOC(=O)Cc1nnc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)s1 CCOC(=O)[*:1] O=C(Nc1nnc(C[*:1])s1)c1cc(=O)[nH]c(=O)[nH]1
CCOC(=O)Cc1nnc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)s1 CCOC(=O)C[*:1] O=C(Nc1nnc(s1)[*:1])c1cc(=O)[nH]c(=O)[nH]1
Cc1ccc(-c2nc(CCN(C)C(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 Cc1ccc(cc1Cl)[*:1] Cc1ccc(cc1)-c1nc(CCN(C)C(=O)N[*:1])no1
Cc1ccc(-c2nc(CCN(C)C(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)N(C)CCc1noc(n1)[*:1]
CSc1nnc(Sc2ccc3nnc(C(F)F)n3n2)s1 FC(F)[*:1] CSc1nnc(Sc2ccc3nnc(n3n2)[*:1])s1
Cc1ccc(C)c(-c2cc3c4nnc(SCC(=O)NCc5ccccc5Cl)n4ccn3n2)c1 Clc1ccccc1C[*:1] Cc1ccc(C)c(c1)-c1cc2c3nnc(SCC(=O)N[*:1])n3ccn2n1
Cc1ccc(C)c(-c2cc3c4nnc(SCC(=O)NCc5ccccc5Cl)n4ccn3n2)c1 O=C(NCc1ccccc1Cl)[*:1] Cc1ccc(C)c(c1)-c1cc2c3nnc(SC[*:1])n3ccn2n1
Cc1ccc(C)c(-c2cc3c4nnc(SCC(=O)NCc5ccccc5Cl)n4ccn3n2)c1 Clc1ccccc1[*:1] Cc1ccc(C)c(c1)-c1cc2c3nnc(SCC(=O)NC[*:1])n3ccn2n1
Cc1ccc(C)c(-c2cc3c4nnc(SCC(=O)NCc5ccccc5Cl)n4ccn3n2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nnc2c3cc(nn3ccn12)[*:1])NCc1ccccc1Cl
O=S(=O)(NCc1ccccc1F)c1cccc2nsnc12 Fc1ccccc1[*:1] O=S(=O)(NC[*:1])c1cccc2nsnc12
Cc1ccc(-c2nnco2)cc1NC(=O)NCCc1ccc2c(c1)CCO2 c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)NCCc1ccc2OCCc2c1)[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)NCCc1ccc2c(c1)CCO2 c1cc2OCCc2cc1[*:1] Cc1ccc(cc1NC(=O)NCC[*:1])-c1nnco1
Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ncccn1 c1cnc(nc1)[*:1] Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)N[*:1]
Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ncccn1 Cc1ccccc1[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)Nc1ncccn1
CC[C@H](CNc1cc(-c2ccccc2)nc2ccnn12)OC c1ccc(cc1)[*:1] CC[C@H](CNc1cc(nc2ccnn12)[*:1])OC
CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@H]1c1ccc(Cl)cc1 CCOC(=O)[*:1] O=C1C[C@H](C(=C(N1)C(F)(F)F)[*:1])c1ccc(Cl)cc1
CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)C1=C(NC(=O)C[C@@H]1[*:1])C(F)(F)F
CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@H]1c1ccc(Cl)cc1 FC(F)(F)[*:1] CCOC(=O)C1=C(NC(=O)C[C@H]1c1ccc(Cl)cc1)[*:1]
Cc1cc(C)c(S(=O)(=O)N(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C[C@@H]2CCCO2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)CN(C[C@@H]1CCCO1)S(=O)(=O)[*:1]
C[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(C(C)(C)C)cc1 CS(=O)(=O)[*:1] C[C@H]([NH2+]CC(=O)Nc1cc(ccc1Cl)[*:1])c1ccc(cc1)C(C)(C)C
C[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H]([NH2+]CC(=O)Nc1cc(ccc1Cl)S(C)(=O)=O)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1
O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CS[C@H](C(=O)N1)[*:1]
O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C[*:1])[C@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1
O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CS[C@H](C[*:1])C(=O)N1
CCNC(=O)NCCCO[C@H](C)c1ccccc1 CCNC(=O)N[*:1] C[C@@H](OCCC[*:1])c1ccccc1
CCNC(=O)NCCCO[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NCCCO[C@H](C)[*:1]
COC(=O)CCc1cs/c(=N\S(=O)(=O)c2cc(C)c(C)s2)[nH]1 Cc1cc(sc1C)[*:1] COC(=O)CCc1cs/c(=N\S(=O)(=O)[*:1])[nH]1
COC(=O)CCc1cs/c(=N\S(=O)(=O)c2cc(C)c(C)s2)[nH]1 COC(=O)C[*:1] Cc1cc(sc1C)S(=O)(=O)/N=c1/[nH]c(cs1)C[*:1]
COC(=O)CCc1cs/c(=N\S(=O)(=O)c2cc(C)c(C)s2)[nH]1 COC(=O)[*:1] Cc1cc(sc1C)S(=O)(=O)/N=c1/[nH]c(cs1)CC[*:1]
COC(=O)CCc1cs/c(=N\S(=O)(=O)c2cc(C)c(C)s2)[nH]1 COC(=O)CC[*:1] Cc1cc(sc1C)S(=O)(=O)/N=c1/[nH]c(cs1)[*:1]
Cc1cccc(-c2nnc3sc(NC(=O)c4cccs4)nn23)c1 Cc1cccc(c1)[*:1] O=C(Nc1nn2c(nnc2s1)[*:1])c1cccs1
Cc1cccc(-c2nnc3sc(NC(=O)c4cccs4)nn23)c1 c1csc(c1)[*:1] Cc1cccc(c1)-c1nnc2sc(nn12)NC(=O)[*:1]
CCn1ncnc1C[NH2+][C@@H](C)CCCCl ClCCC[*:1] CCn1ncnc1C[NH2+][C@@H](C)[*:1]
CCn1ncnc1C[NH2+][C@@H](C)CCCCl ClCC[*:1] CCn1ncnc1C[NH2+][C@@H](C)C[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)N1CCC[C@@H]1CN1CCOCC1
CC(=O)Nc1c(C)cc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)cc1C C1CN(CCO1)C[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N1CCC[C@H]1[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)cc1C C1CN(CCO1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N1CCC[C@@H]1C[*:1]
CS(=O)(=O)c1ccc(Nc2ccccc2)c(N)c1 CS(=O)(=O)[*:1] Nc1cc(ccc1Nc1ccccc1)[*:1]
CS(=O)(=O)c1ccc(Nc2ccccc2)c(N)c1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(N[*:1])c(N)c1
CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC2CCSCC2)c1 CC[C@@H](C)[*:1] O=S(=O)(Cc1cccc(c1)NC1CCSCC1)N[*:1]
CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC2CCSCC2)c1 C1CC(CCS1)N[*:1] CC[C@@H](C)NS(=O)(=O)Cc1cccc(c1)[*:1]
CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC2CCSCC2)c1 C1CC(CCS1)[*:1] CC[C@@H](C)NS(=O)(=O)Cc1cccc(c1)N[*:1]
CC[C@H](NC(=O)N[C@H]1CC[C@H](SC)C1)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)N[C@H]1CC[C@@H](C1)SC)[*:1]
C[C@@H]1CCN(C(=O)Nc2ccccc2N2CCCCCC2)C[C@@H]1O C1CCCN(CC1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1ccccc1[*:1]
O=C(CSc1ccccn1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 c1ccc(nc1)[*:1] O=C(CS[*:1])Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
O=C(CSc1ccccn1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 c1ccc(nc1)SC[*:1] O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)[*:1]
O=C(CSc1ccccn1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1ccccn1)Nc1ccccc1C(=O)N[*:1]
O=C(CSc1ccccn1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 c1ccc(nc1)S[*:1] O=C(C[*:1])Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
Cc1cccc(CSc2nc([O-])c3c(n2)NC(=O)C[C@@H]3c2ccc(OCC(N)=O)cc2)c1 Cc1cccc(c1)[*:1] NC(=O)COc1ccc(cc1)[C@H]1CC(=O)Nc2nc(nc([O-])c21)SC[*:1]
Cc1cccc(CSc2nc([O-])c3c(n2)NC(=O)C[C@@H]3c2ccc(OCC(N)=O)cc2)c1 Cc1cccc(c1)CS[*:1] NC(=O)COc1ccc(cc1)[C@H]1CC(=O)Nc2nc(nc([O-])c21)[*:1]
Cc1cccc(CSc2nc([O-])c3c(n2)NC(=O)C[C@@H]3c2ccc(OCC(N)=O)cc2)c1 NC(=O)[*:1] Cc1cccc(c1)CSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc(cc1)OC[*:1]
Cc1cccc(CSc2nc([O-])c3c(n2)NC(=O)C[C@@H]3c2ccc(OCC(N)=O)cc2)c1 Cc1cccc(c1)C[*:1] NC(=O)COc1ccc(cc1)[C@H]1CC(=O)Nc2nc(nc([O-])c21)S[*:1]
Cc1cccc(CSc2nc([O-])c3c(n2)NC(=O)C[C@@H]3c2ccc(OCC(N)=O)cc2)c1 NC(=O)C[*:1] Cc1cccc(c1)CSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc(cc1)O[*:1]
Cc1cccc(CSc2nc([O-])c3c(n2)NC(=O)C[C@@H]3c2ccc(OCC(N)=O)cc2)c1 NC(=O)CO[*:1] Cc1cccc(c1)CSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc(cc1)[*:1]
COCCn1cc(NC(=O)NCc2ccc(Br)s2)cn1 COC[*:1] O=C(NCc1ccc(Br)s1)Nc1cnn(c1)C[*:1]
COCCn1cc(NC(=O)NCc2ccc(Br)s2)cn1 COCC[*:1] O=C(NCc1ccc(Br)s1)Nc1cnn(c1)[*:1]
COCCn1cc(NC(=O)NCc2ccc(Br)s2)cn1 Brc1ccc(s1)[*:1] COCCn1cc(cn1)NC(=O)NC[*:1]
CC(C)S(=O)(=O)CC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 CC(C)S(=O)(=O)C[*:1] C[C@H](NC(=O)[*:1])c1noc(Cc2ccccc2)n1
CC(C)S(=O)(=O)CC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 CC(C)[*:1] C[C@H](NC(=O)CS(=O)(=O)[*:1])c1noc(Cc2ccccc2)n1
CC(C)S(=O)(=O)CC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CC(C)S(=O)(=O)CC(=O)N[C@@H](C)c1noc(n1)[*:1]
CC(C)S(=O)(=O)CC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 CC(C)S(=O)(=O)[*:1] C[C@H](NC(=O)C[*:1])c1noc(Cc2ccccc2)n1
CC(C)S(=O)(=O)CC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)S(=O)(=O)CC(=O)N[C@@H](C)c1noc(C[*:1])n1
Cc1cc(C)cc(NC(=O)C(=O)N[C@@H](C)c2nnc3ccccn23)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1nnc2ccccn12
COC(=O)[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ncccc1[O-]
COCc1cn(CC2CCN(Cc3[nH]cc(C)[nH+]3)CC2)nn1 COC[*:1] Cc1c[nH]c(CN2CCC(CC2)Cn2cc(nn2)[*:1])[nH+]1
C[C@H](NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21)c1ccc2c(c1)OCCCO2 O=C(c1ccco1)[*:1] C[C@H](NC(=O)Cn1cc(c2ccccc21)[*:1])c1ccc2OCCCOc2c1
C[C@H](NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21)c1ccc2c(c1)OCCCO2 c1coc(c1)[*:1] C[C@H](NC(=O)Cn1cc(C(=O)[*:1])c2ccccc21)c1ccc2OCCCOc2c1
C[C@H](NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21)c1ccc2c(c1)OCCCO2 c1cc2OCCCOc2cc1[*:1] C[C@H](NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21)[*:1]
COc1cccc(CCC(=O)N2CCC(OCc3ccccc3F)CC2)c1 Fc1ccccc1CO[*:1] COc1cccc(c1)CCC(=O)N1CCC(CC1)[*:1]
COc1cccc(CCC(=O)N2CCC(OCc3ccccc3F)CC2)c1 Fc1ccccc1C[*:1] COc1cccc(c1)CCC(=O)N1CCC(CC1)O[*:1]
COc1cccc(CCC(=O)N2CCC(OCc3ccccc3F)CC2)c1 Fc1ccccc1[*:1] COc1cccc(c1)CCC(=O)N1CCC(CC1)OC[*:1]
COc1cccc(CCC(=O)N2CCC(OCc3ccccc3F)CC2)c1 COc1cccc(c1)[*:1] O=C(CC[*:1])N1CCC(CC1)OCc1ccccc1F
COc1cccc(CCC(=O)N2CCC(OCc3ccccc3F)CC2)c1 COc1cccc(c1)C[*:1] O=C(C[*:1])N1CCC(CC1)OCc1ccccc1F
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccco1 Fc1ccc(cc1)[*:1] C[C@]1(Cn2c(cc3ccsc32)C(=O)N1Cc1ccco1)C(=O)NC[*:1]
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccco1 c1coc(c1)C[*:1] C[C@]1(Cn2c(cc3ccsc32)C(=O)N1[*:1])C(=O)NCc1ccc(F)cc1
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccco1 c1coc(c1)[*:1] C[C@]1(Cn2c(cc3ccsc32)C(=O)N1C[*:1])C(=O)NCc1ccc(F)cc1
C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccco1 Fc1ccc(cc1)C[*:1] C[C@]1(Cn2c(cc3ccsc32)C(=O)N1Cc1ccco1)C(=O)N[*:1]
COC(=O)c1cccc(CCNC(=O)N[C@H]2CCCCC[C@@H]2CO)c1 COC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])N[C@H]1CCCCC[C@@H]1CO
CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(Oc3cnccn3)c2)C1 c1cnc(cn1)[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C(=O)c1cccc(c1)O[*:1]
CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(Oc3cnccn3)c2)C1 c1cnc(cn1)O[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
Cc1ccc(CSCC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)CSC[*:1])C(=O)N1CCOCC1
Cc1ccc(CSCC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)CSCC(=O)N[C@H](C(=O)N1CCOCC1)[*:1]
Cc1ccc(CSCC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1 Cc1ccc(cc1)C[*:1] CC(C)[C@H](NC(=O)CS[*:1])C(=O)N1CCOCC1
Cc1ccc(CSCC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)CSCC(=O)N[C@H](C(C)C)[*:1]
O=C(CCC1CCCCC1)NNS(=O)(=O)c1ccc(F)c(F)c1 C1CCC(CC1)C[*:1] O=C(C[*:1])NNS(=O)(=O)c1ccc(F)c(F)c1
O=C(CCC1CCCCC1)NNS(=O)(=O)c1ccc(F)c(F)c1 C1CCC(CC1)[*:1] O=C(CC[*:1])NNS(=O)(=O)c1ccc(F)c(F)c1
CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCCO1 O=[N+]([O-])[*:1] CNc1ccc(cc1C(=O)NC[C@]1(C)CCCO1)[*:1]
COC(C)(C)C[C@@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 COC(C)(C)C[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)c1[nH]cc[nH+]1)[*:1]
COC(C)(C)C[C@@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 COC(C)(C)[*:1] C[C@H](C[*:1])NC(=O)N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CCn1nc(C)c(NC(=O)N(C)Cc2ccccc2F)c1C Fc1ccccc1[*:1] CCn1nc(C)c(NC(=O)N(C)C[*:1])c1C
CS(=O)(=O)NCCCNC(=O)c1ccccc1F CS(=O)(=O)NC[*:1] O=C(NCC[*:1])c1ccccc1F
CS(=O)(=O)NCCCNC(=O)c1ccccc1F CS(=O)(=O)N[*:1] O=C(NCCC[*:1])c1ccccc1F
O=C(NCCc1cc(Br)ccc1F)NNC(=O)c1ccccc1O Oc1ccccc1[*:1] O=C(NCCc1cc(Br)ccc1F)NNC(=O)[*:1]
O=C(NCCc1cc(Br)ccc1F)NNC(=O)c1ccccc1O Fc1ccc(Br)cc1[*:1] O=C(NCC[*:1])NNC(=O)c1ccccc1O
c1ccc(Cc2c[nH]nc2C2CC[NH+](Cc3cccc4cccnc34)CC2)cc1 c1ccc(cc1)C[*:1] c1cnc2c(cccc2c1)C[NH+]1CCC(CC1)c1n[nH]cc1[*:1]
c1ccc(Cc2c[nH]nc2C2CC[NH+](Cc3cccc4cccnc34)CC2)cc1 c1ccc(cc1)[*:1] c1cnc2c(cccc2c1)C[NH+]1CCC(CC1)c1n[nH]cc1C[*:1]
C[C@H](Sc1nnc(CN2CCCC2=O)o1)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](Sc1nnc(CN2CCCC2=O)o1)C(=O)N1CCC(CC1)[*:1]
C[C@H](Sc1nnc(CN2CCCC2=O)o1)C(=O)N1CCC(Cc2ccccc2)CC1 O=C1CCCN1[*:1] C[C@H](Sc1nnc(C[*:1])o1)C(=O)N1CCC(CC1)Cc1ccccc1
C[C@H](Sc1nnc(CN2CCCC2=O)o1)C(=O)N1CCC(Cc2ccccc2)CC1 O=C1CCCN1C[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)N1CCC(CC1)Cc1ccccc1
C[C@H](Sc1nnc(CN2CCCC2=O)o1)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(CN2CCCC2=O)o1)C(=O)N1CCC(CC1)C[*:1]
CN(Cc1cccc(Cl)c1)C(=O)NCC(=O)NCc1ccco1 Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)NCC(=O)NCc1ccco1
CN(Cc1cccc(Cl)c1)C(=O)NCC(=O)NCc1ccco1 c1coc(c1)C[*:1] CN(Cc1cccc(Cl)c1)C(=O)NCC(=O)N[*:1]
CN(Cc1cccc(Cl)c1)C(=O)NCC(=O)NCc1ccco1 c1coc(c1)[*:1] CN(Cc1cccc(Cl)c1)C(=O)NCC(=O)NC[*:1]
CC(C)C[NH+]1CCN(C(=O)N[C@H]2CC=CCC2)CC1 CC(C)C[*:1] O=C(N[C@H]1CC=CCC1)N1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCN(C(=O)N[C@H]2CC=CCC2)CC1 CC(C)[*:1] O=C(N[C@H]1CC=CCC1)N1CC[NH+](CC1)C[*:1]
CC[C@@](C)([NH3+])c1nc([C@@H]2CN(C(C)C)CCO2)no1 CC(C)[*:1] CC[C@@](C)([NH3+])c1nc(no1)[C@@H]1CN(CCO1)[*:1]
CCC[NH2+]C[C@]1(c2ccc(Cl)cc2)CCC[C@@H]1C CCC[*:1] C[C@H]1CCC[C@]1(C[NH2+][*:1])c1ccc(Cl)cc1
CCOc1ccc(NC(=O)CN2C(=O)c3ccc(C)cc3C2=O)c(C)c1 CCO[*:1] Cc1ccc2C(=O)N(CC(=O)Nc3ccc(cc3C)[*:1])C(=O)c2c1
CCc1cnc([C@H](C)NC(=O)NCc2ccc([S@](C)=O)cc2)s1 C[S@](=O)[*:1] CCc1cnc(s1)[C@H](C)NC(=O)NCc1ccc(cc1)[*:1]
CCc1cnc([C@H](C)NC(=O)NCc2ccc([S@](C)=O)cc2)s1 CCc1cnc(s1)[*:1] C[C@H](NC(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
COc1cccc(CCN2C(=O)c3cccc(N4CCC[C@@H](C(=O)N5CCC[C@H](C)C5)C4)c3C2=O)c1 COc1cccc(c1)C[*:1] C[C@H]1CCCN(C1)C(=O)[C@@H]1CCCN(C1)c1cccc2C(=O)N(C[*:1])C(=O)c21
COc1cccc(CCN2C(=O)c3cccc(N4CCC[C@@H](C(=O)N5CCC[C@H](C)C5)C4)c3C2=O)c1 COc1cccc(c1)CC[*:1] C[C@H]1CCCN(C1)C(=O)[C@@H]1CCCN(C1)c1cccc2C(=O)N(C(=O)c21)[*:1]
COc1cccc(CCN2C(=O)c3cccc(N4CCC[C@@H](C(=O)N5CCC[C@H](C)C5)C4)c3C2=O)c1 COc1cccc(c1)[*:1] C[C@H]1CCCN(C1)C(=O)[C@@H]1CCCN(C1)c1cccc2C(=O)N(CC[*:1])C(=O)c21
CCC[C@H]1CN(C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CCO1 CCC[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CCO1 c1coc(c1)[*:1] CCC[C@H]1CN(CCO1)C(=O)c1ccc(C)c(c1)NC(=O)[*:1]
CCC[C@H]1CN(C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CCO1 O=C(N[*:1])c1ccco1 CCC[C@H]1CN(CCO1)C(=O)c1ccc(C)c(c1)[*:1]
COCCn1/c(=N/C(=O)c2ccc(SC)cc2)sc2cc(F)ccc21 COC[*:1] CSc1ccc(cc1)C(=O)/N=c1\sc2cc(F)ccc2n1C[*:1]
COCCn1/c(=N/C(=O)c2ccc(SC)cc2)sc2cc(F)ccc21 COCC[*:1] CSc1ccc(cc1)C(=O)/N=c1\sc2cc(F)ccc2n1[*:1]
COCCn1/c(=N/C(=O)c2ccc(SC)cc2)sc2cc(F)ccc21 CSc1ccc(cc1)[*:1] COCCn1/c(=N/C(=O)[*:1])sc2cc(F)ccc21
COc1cc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
CNC(=O)CC1CCN(S(=O)(=O)CCc2ccccc2)CC1 CNC(=O)[*:1] O=S(=O)(CCc1ccccc1)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(S(=O)(=O)CCc2ccccc2)CC1 CNC(=O)C[*:1] O=S(=O)(CCc1ccccc1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(S(=O)(=O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CNC(=O)CC1CCN(CC1)S(=O)(=O)C[*:1]
CNC(=O)CC1CCN(S(=O)(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)CC1CCN(CC1)S(=O)(=O)CC[*:1]
O=C(CSc1cccc[n+]1[O-])NNC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1cccc[n+]1[O-])NNC(=O)[*:1]
O=C(CSc1cccc[n+]1[O-])NNC(=O)c1ccc(F)cc1 [O-][n+]1ccccc1[*:1] O=C(CS[*:1])NNC(=O)c1ccc(F)cc1
C[C@H](C1CC1)N(C(=O)c1cccc(F)c1)C1CC1 C1CC1[*:1] C[C@H](C1CC1)N(C(=O)c1cccc(F)c1)[*:1]
C[C@H](C1CC1)N(C(=O)c1cccc(F)c1)C1CC1 C1CC1[*:1] C[C@H](N(C(=O)c1cccc(F)c1)C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)c1cccc(F)c1)C1CC1 C[C@H](C1CC1)[*:1] O=C(c1cccc(F)c1)N(C1CC1)[*:1]
COc1ccc(-n2c(SCc3nc4ccccc4c(=O)[nH]3)nc3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] O=c1[nH]c(CSc2nc3ccccc3c(=O)n2[*:1])nc2ccccc12
CCc1ccsc1CNC(=O)C(=O)Nc1cc(OC)cc(OC)c1 CCc1ccsc1C[*:1] COc1cc(cc(c1)OC)NC(=O)C(=O)N[*:1]
CCc1ccsc1CNC(=O)C(=O)Nc1cc(OC)cc(OC)c1 CCc1ccsc1[*:1] COc1cc(cc(c1)OC)NC(=O)C(=O)NC[*:1]
C[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)N[C@H](C)[*:1])c1ccc2NC(=O)CCc2c1
Cc1ccc([C@@H](NCC(=O)N2CCCCC2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CN[C@@H](c1ccccc1)[*:1])N1CCCCC1
Cc1ccc([C@@H](NCC(=O)N2CCCCC2)c2ccccc2)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)[C@@H](NC[*:1])c1ccccc1
Cc1ccc([C@@H](NCC(=O)N2CCCCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](NCC(=O)N1CCCCC1)[*:1]
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(F)cc4)C3)cc2)C1 Fc1ccc(cc1)CC[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(F)cc4)C3)cc2)C1 Fc1ccc(cc1)C[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(F)cc4)C3)cc2)C1 C[C@H]1CCCN(C1)S(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(F)cc4)C3)cc2)C1 Fc1ccc(cc1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(CC[*:1])C1
CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@H]3C[C@H](Cl)C4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C CC(=O)[*:1] CC(=O)O[C@]1(CC[C@H]2[C@H]3C[C@H](Cl)C4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C)[*:1]
CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@H]3C[C@H](Cl)C4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C CC(=O)O[*:1] CC(=O)[C@]1(CC[C@H]2[C@H]3C[C@H](Cl)C4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C)[*:1]
CCOc1ccc(F)c(C(=O)Nc2ccccc2O[C@H]2CCOC2)c1F CCO[*:1] O=C(Nc1ccccc1O[C@H]1CCOC1)c1c(F)ccc(c1F)[*:1]
COC(=O)c1cccc(CCNC(=O)Nc2ncnn2C)c1 Cn1ncnc1[*:1] COC(=O)c1cccc(c1)CCNC(=O)N[*:1]
COC(=O)c1cccc(CCNC(=O)Nc2ncnn2C)c1 COC(=O)[*:1] Cn1ncnc1NC(=O)NCCc1cccc(c1)[*:1]
CC(C)(C)c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2[nH]1 O=[N+]([O-])[*:1] CC(C)(C)c1nc2ccc(cc2[nH]1)NC(=O)c1ccc(cc1Cl)[*:1]
CC(C)(C)c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2[nH]1 CC(C)(C)[*:1] O=C(Nc1ccc2nc([nH]c2c1)[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
CC(C)[C@H](CO)NS(=O)(=O)c1ccc(N)cc1Br CC(C)[C@H](CO)[*:1] Nc1ccc(c(Br)c1)S(=O)(=O)N[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1ccc(N)cc1Br CC(C)[*:1] Nc1ccc(c(Br)c1)S(=O)(=O)N[C@@H](CO)[*:1]
CCc1onc(C)c1NC(=O)N[C@](C)(CC)c1ccccc1 c1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)N[C@](C)(CC)[*:1]
CCCCCC(=O)NNC(=O)C(=O)NC1CC1 CCCCC[*:1] O=C(NNC(=O)[*:1])C(=O)NC1CC1
CCCCCC(=O)NNC(=O)C(=O)NC1CC1 CCC[*:1] O=C(CC[*:1])NNC(=O)C(=O)NC1CC1
CCCCCC(=O)NNC(=O)C(=O)NC1CC1 CCCC[*:1] O=C(C[*:1])NNC(=O)C(=O)NC1CC1
CCCCCC(=O)NNC(=O)C(=O)NC1CC1 C1CC1[*:1] CCCCCC(=O)NNC(=O)C(=O)N[*:1]
CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@@H]2CCCO2)c(C(C)C)c1 C1CO[C@@H](C1)[*:1] CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)NC[*:1])C(C)C
CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@@H]2CCCO2)c(C(C)C)c1 CC(C)[*:1] CC(C)c1cc(cc(c1S(=O)(=O)NC[C@@H]1CCCO1)C(C)C)[*:1]
CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@@H]2CCCO2)c(C(C)C)c1 C1CO[C@@H](C1)C[*:1] CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)N[*:1])C(C)C
CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@@H]2CCCO2)c(C(C)C)c1 CC(C)[*:1] CC(C)c1cc(c(c(c1)[*:1])S(=O)(=O)NC[C@@H]1CCCO1)C(C)C
FC(F)(F)c1nnc2n1CCN(Cc1cccc(-c3ccccn3)c1)C2 c1ccc(nc1)[*:1] FC(F)(F)c1nnc2CN(CCn21)Cc1cccc(c1)[*:1]
FC(F)(F)c1nnc2n1CCN(Cc1cccc(-c3ccccn3)c1)C2 FC(F)(F)[*:1] c1ccc(nc1)-c1cccc(c1)CN1CCn2c(C1)nnc2[*:1]
CC(C)(NC(=O)Nc1ccccc1SCCC(N)=O)c1ccc(F)cc1 NC(=O)C[*:1] CC(C)(NC(=O)Nc1ccccc1SC[*:1])c1ccc(F)cc1
CC(C)(NC(=O)Nc1ccccc1SCCC(N)=O)c1ccc(F)cc1 NC(=O)CC[*:1] CC(C)(NC(=O)Nc1ccccc1S[*:1])c1ccc(F)cc1
CC(C)(NC(=O)Nc1ccccc1SCCC(N)=O)c1ccc(F)cc1 NC(=O)[*:1] CC(C)(NC(=O)Nc1ccccc1SCC[*:1])c1ccc(F)cc1
CC(C)(NC(=O)Nc1ccccc1SCCC(N)=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(NC(=O)Nc1ccccc1SCCC(N)=O)[*:1]
CC(C)(NC(=O)Nc1ccccc1SCCC(N)=O)c1ccc(F)cc1 NC(=O)CCS[*:1] CC(C)(NC(=O)Nc1ccccc1[*:1])c1ccc(F)cc1
CC(C)c1noc(CCNC(=O)/C=C/c2cn(C)c3ccccc23)n1 CC(C)[*:1] Cn1cc(/C=C/C(=O)NCCc2nc(no2)[*:1])c2ccccc21
CC(C)c1noc(CCNC(=O)/C=C/c2cn(C)c3ccccc23)n1 CC(C)c1noc(n1)[*:1] Cn1cc(/C=C/C(=O)NCC[*:1])c2ccccc21
CCNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 O=[N+]([O-])[*:1] CCNC(=O)C1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
CCNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 CCNC(=O)[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)[*:1]
CCOCc1ccccc1NC(=O)NCc1ccccc1CO CCOC[*:1] O=C(NCc1ccccc1CO)Nc1ccccc1[*:1]
CCOCc1ccccc1NC(=O)NCc1ccccc1CO CCO[*:1] O=C(NCc1ccccc1CO)Nc1ccccc1C[*:1]
CC(=O)c1ccccc1C(=O)N1CC[C@H](C)[C@@H](O)C1 CC(=O)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1ccccc1[*:1]
O=C(Cc1cccc2ccccc12)NCc1cc(-c2cc3ccccc3o2)on1 c1ccc2oc(cc2c1)[*:1] O=C(Cc1cccc2ccccc12)NCc1cc(on1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)Cc1cccc(OCC#N)c1 N#CCO[*:1] CN(Cc1ccc(F)cc1)C(=O)Cc1cccc(c1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)Cc1cccc(OCC#N)c1 Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)Cc1cccc(c1)OCC#N
CN(Cc1ccc(F)cc1)C(=O)Cc1cccc(OCC#N)c1 N#CC[*:1] CN(Cc1ccc(F)cc1)C(=O)Cc1cccc(c1)O[*:1]
CCOc1ccccc1NC(=O)c1cc2c(=O)[nH]c(=O)n(Cc3ccccc3)c2nc1C c1ccc(cc1)C[*:1] CCOc1ccccc1NC(=O)c1cc2c(=O)[nH]c(=O)n(c2nc1C)[*:1]
CCOc1ccccc1NC(=O)c1cc2c(=O)[nH]c(=O)n(Cc3ccccc3)c2nc1C c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)c1cc2c(=O)[nH]c(=O)n(C[*:1])c2nc1C
CCOc1ccccc1NC(=O)c1cc2c(=O)[nH]c(=O)n(Cc3ccccc3)c2nc1C CCOc1ccccc1[*:1] Cc1nc2c(cc1C(=O)N[*:1])c(=O)[nH]c(=O)n2Cc1ccccc1
CCOc1ccccc1NC(=O)c1cc2c(=O)[nH]c(=O)n(Cc3ccccc3)c2nc1C CCO[*:1] Cc1nc2c(cc1C(=O)Nc1ccccc1[*:1])c(=O)[nH]c(=O)n2Cc1ccccc1
C=CCn1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nnc1-c1ccoc1C c1ccc(cc1)[*:1] C=CCn1c(nnc1-c1ccoc1C)S[C@@H](C)C(=O)N(C)[*:1]
C=CCn1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nnc1-c1ccoc1C Cc1occc1[*:1] C=CCn1c(nnc1[*:1])S[C@@H](C)C(=O)N(C)c1ccccc1
C=CCn1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nnc1-c1ccoc1C C=CC[*:1] Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)n1[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NCc1nc2ccccc2[nH]1 c1ccc2[nH]c(C[*:1])nc2c1 Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)N1CCCC[C@@H]1C
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NCc1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] Cc1ccc(cc1C(=O)NC[*:1])S(=O)(=O)N1CCCC[C@@H]1C
COc1cc([C@@H](C)N[C@@H]2CCOC2)ccc1S(C)(=O)=O CS(=O)(=O)[*:1] COc1cc(ccc1[*:1])[C@@H](C)N[C@@H]1CCOC1
COc1cc([C@@H](C)N[C@@H]2CCOC2)ccc1S(C)(=O)=O C1C[C@H](CO1)N[*:1] COc1cc(ccc1S(C)(=O)=O)[C@@H](C)[*:1]
COc1cc([C@@H](C)N[C@@H]2CCOC2)ccc1S(C)(=O)=O C1C[C@H](CO1)[*:1] COc1cc(ccc1S(C)(=O)=O)[C@@H](C)N[*:1]
C[NH2+][C@H](C(C)C)[C@@H](C)c1cc(OC)ccc1OC CC(C)[*:1] C[NH2+][C@H]([C@@H](C)c1cc(ccc1OC)OC)[*:1]
C/C(CCc1ccccc1)=N/NC(=O)C(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] C/C(CC[*:1])=N/NC(=O)C(=O)Nc1ccc(Cl)cc1
C/C(CCc1ccccc1)=N/NC(=O)C(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)C[*:1] C/C(C[*:1])=N/NC(=O)C(=O)Nc1ccc(Cl)cc1
C/C(CCc1ccccc1)=N/NC(=O)C(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)CC[*:1] CC(=NNC(=O)C(=O)Nc1ccc(Cl)cc1)[*:1]
C/C(CCc1ccccc1)=N/NC(=O)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C/C(CCc1ccccc1)=N/NC(=O)C(=O)N[*:1]
O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2ccc(-c3ccccc3)cc2)N1 c1ccc(cc1)[*:1] O=C1CC[C@@H]([C@H](N1)c1ccc(cc1)[*:1])[N+](=O)[O-]
O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2ccc(-c3ccccc3)cc2)N1 O=[N+]([O-])[*:1] O=C1CC[C@H]([C@H](N1)c1ccc(cc1)-c1ccccc1)[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)N[C@H](C)C[NH+]2CCCCC2)o1 Cc1ccc(o1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@](C)(O)[*:1]
COc1ccc(/C=C(\Sc2nc(C)n[nH]2)C(=O)[O-])c(OC)c1 O=C([O-])[*:1] COc1ccc(/C=C(\Sc2nc(C)n[nH]2)[*:1])c(c1)OC
CC(C)C(=O)NCCO[C@H]1CCCC[C@@H]1C CC(C)[*:1] C[C@H]1CCCC[C@@H]1OCCNC(=O)[*:1]
CC(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1cccs1 CC(=O)[*:1] O=C1C([O-])=C([C@H](c2cccs2)N1Cc1ccccc1)[*:1]
CC(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1cccs1 c1ccc(cc1)[*:1] CC(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccs1
CC(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1cccs1 c1csc(c1)[*:1] CC(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1[*:1]
CC(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1cccs1 c1ccc(cc1)C[*:1] CC(=O)C1=C([O-])C(=O)N([C@H]1c1cccs1)[*:1]
N#Cc1c(-c2cccs2)cc(-c2ccccc2)nc1N c1csc(c1)[*:1] N#Cc1c(cc(nc1N)-c1ccccc1)[*:1]
N#Cc1c(-c2cccs2)cc(-c2ccccc2)nc1N c1ccc(cc1)[*:1] N#Cc1c(cc(nc1N)[*:1])-c1cccs1
Cc1ccc(-c2cc3c(N4CCN(c5ccccc5)CC4)nccn3n2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1cc2c(nccn2n1)N1CCN(CC1)[*:1]
Cc1ccc(-c2cc3c(N4CCN(c5ccccc5)CC4)nccn3n2)cc1C Cc1ccc(cc1C)[*:1] c1ccc(cc1)N1CCN(CC1)c1nccn2nc(cc12)[*:1]
COc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N c1ccc(cc1)[*:1] COc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)[*:1])n1N
COc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N COc1ccccc1[*:1] C[C@H](NC(=O)CSc1nnc(n1N)[*:1])c1ccccc1
COc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1N C[C@@H](c1ccccc1)[*:1] COc1ccccc1-c1nnc(SCC(=O)N[*:1])n1N
C[C@H](NC=O)c1nc2ccccc2n1[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC=O)c1nc2ccccc2n1[C@H](C)[*:1]
C[C@H](NC=O)c1nc2ccccc2n1[C@H](C)c1ccccc1 O=CN[*:1] C[C@H](c1nc2ccccc2n1[C@H](C)c1ccccc1)[*:1]
NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)C1 NC(=O)[*:1] O=C(c1ccc(o1)-c1cccc(Cl)c1Cl)N1CCC[C@H](C1)[*:1]
NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)C1 Clc1cccc(c1Cl)[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(o1)[*:1]
N#CCCN(Cc1cccnc1)C(=O)c1ccc(Cl)c(Cl)c1 N#CCC[*:1] O=C(c1ccc(Cl)c(Cl)c1)N(Cc1cccnc1)[*:1]
N#CCCN(Cc1cccnc1)C(=O)c1ccc(Cl)c(Cl)c1 N#CC[*:1] O=C(c1ccc(Cl)c(Cl)c1)N(Cc1cccnc1)C[*:1]
N#CCCN(Cc1cccnc1)C(=O)c1ccc(Cl)c(Cl)c1 c1cncc(c1)[*:1] N#CCCN(C[*:1])C(=O)c1ccc(Cl)c(Cl)c1
N#CCCN(Cc1cccnc1)C(=O)c1ccc(Cl)c(Cl)c1 c1cncc(c1)C[*:1] N#CCCN(C(=O)c1ccc(Cl)c(Cl)c1)[*:1]
CCC[NH2+][C@@H](C)c1cccc(N2CC3(CCOCC3)C2)c1 CCC[*:1] C[C@H]([NH2+][*:1])c1cccc(c1)N1CC2(CCOCC2)C1
c1nc(N2CCC[C@@H]2Cn2cncn2)c2cc[nH]c2n1 c1ncn(C[*:1])n1 c1nc(c2cc[nH]c2n1)N1CCC[C@H]1[*:1]
c1nc(N2CCC[C@@H]2Cn2cncn2)c2cc[nH]c2n1 c1ncn(n1)[*:1] c1nc(c2cc[nH]c2n1)N1CCC[C@@H]1C[*:1]
COc1c(C(=O)NCCc2ncnn2C)sc(C)c1Br Cn1ncnc1[*:1] COc1c(sc(C)c1Br)C(=O)NCC[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)C#Cc1ccccc1)CC2 C1C[C@H](CO1)[*:1] CC(C)[C@H](NC(=O)[*:1])c1nnc2CCN(CCn21)C(=O)C#Cc1ccccc1
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)C#Cc1ccccc1)CC2 C(#C[*:1])c1ccccc1 CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2CCN(CCn21)C(=O)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)C#Cc1ccccc1)CC2 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2CCN(CCn21)C(=O)C#C[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)C#Cc1ccccc1)CC2 CC(C)[*:1] O=C(N[C@H](c1nnc2CCN(CCn21)C(=O)C#Cc1ccccc1)[*:1])[C@@H]1CCOC1
Nc1ccccc1-n1ccc(C(=O)OCc2nccs2)n1 Nc1ccccc1[*:1] O=C(OCc1nccs1)c1ccn(n1)[*:1]
Nc1ccccc1-n1ccc(C(=O)OCc2nccs2)n1 c1csc(n1)[*:1] Nc1ccccc1-n1ccc(n1)C(=O)OC[*:1]
Nc1ccccc1-n1ccc(C(=O)OCc2nccs2)n1 c1csc(C[*:1])n1 Nc1ccccc1-n1ccc(n1)C(=O)O[*:1]
O=C(C1CC[NH2+]CC1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@H]2C1 c1csc(c1)CC[*:1] O=C(C1CC[NH2+]CC1)N1CCN2C(=O)N(C(=O)[C@H]2C1)[*:1]
O=C(C1CC[NH2+]CC1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@H]2C1 c1csc(c1)[*:1] O=C(C1CC[NH2+]CC1)N1CCN2C(=O)N(CC[*:1])C(=O)[C@H]2C1
O=C(C1CC[NH2+]CC1)N1CCN2C(=O)N(CCc3cccs3)C(=O)[C@H]2C1 c1csc(c1)C[*:1] O=C(C1CC[NH2+]CC1)N1CCN2C(=O)N(C[*:1])C(=O)[C@H]2C1
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc([N+](=O)[O-])s2)C1 O=[N+]([O-])[*:1] CO[C@@H]1C[C@H](C(=O)[O-])N(C1)C(=O)c1ccc(s1)[*:1]
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc([N+](=O)[O-])s2)C1 O=C([O-])[*:1] CO[C@@H]1C[C@H](N(C1)C(=O)c1ccc(s1)[N+](=O)[O-])[*:1]
Cc1nn(CCC(C)C)c(C)c1[C@@H](C)C[NH2+]C1CC1 C1CC1[*:1] Cc1nn(CCC(C)C)c(C)c1[C@@H](C)C[NH2+][*:1]
Cc1nn(CCC(C)C)c(C)c1[C@@H](C)C[NH2+]C1CC1 CC(C)CC[*:1] Cc1nn(c(C)c1[C@@H](C)C[NH2+]C1CC1)[*:1]
Cc1nn(CCC(C)C)c(C)c1[C@@H](C)C[NH2+]C1CC1 CC(C)[*:1] Cc1nn(CC[*:1])c(C)c1[C@@H](C)C[NH2+]C1CC1
Cc1nn(CCC(C)C)c(C)c1[C@@H](C)C[NH2+]C1CC1 CC(C)C[*:1] Cc1nn(C[*:1])c(C)c1[C@@H](C)C[NH2+]C1CC1
Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)nn1 Cc1ccc(nn1)[*:1] c1ccc(Cn2cc[nH+]c2[C@@H]2CCCN(C2)[*:1])nc1
Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)nn1 c1ccc(C[*:1])nc1 Cc1ccc(nn1)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)nn1 c1ccc(nc1)[*:1] Cc1ccc(nn1)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
Cc1nnc([C@@H]2CCCN2C(=O)c2c[nH]c3ccccc23)o1 Cc1nnc(o1)[*:1] O=C(c1c[nH]c2ccccc12)N1CCC[C@H]1[*:1]
O=C([O-])c1cccc(CSc2nc(-c3ccccc3)n[nH]2)c1 c1ccc(cc1)[*:1] O=C([O-])c1cccc(c1)CSc1nc(n[nH]1)[*:1]
O=C([O-])c1cccc(CSc2nc(-c3ccccc3)n[nH]2)c1 O=C([O-])[*:1] c1ccc(cc1)-c1n[nH]c(n1)SCc1cccc(c1)[*:1]
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C1)OCC(=O)N2 c1cc2OCOc2cc1C[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C1)OCC(=O)N2 c1cc2OCOc2cc1[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(C(N)=O)cc1 NC(=O)[*:1] COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
CCCn1nnnc1CN1CCC(C(=O)c2ccc(O)cc2)CC1 CCCn1nnnc1[*:1] O=C(c1ccc(O)cc1)C1CCN(CC1)C[*:1]
CCCn1nnnc1CN1CCC(C(=O)c2ccc(O)cc2)CC1 CCC[*:1] O=C(c1ccc(O)cc1)C1CCN(CC1)Cc1nnnn1[*:1]
CCCn1nnnc1CN1CCC(C(=O)c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] CCCn1nnnc1CN1CCC(CC1)C(=O)[*:1]
C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccncc1 c1cc(ccn1)[*:1] CC(=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)[*:1]
C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccncc1 Cc1ccc(cc1)C[*:1] C/C(=N\NC(=O)CSc1nc2ccccc2n1[*:1])c1ccncc1
C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccncc1 Cc1ccc(cc1)[*:1] C/C(=N\NC(=O)CSc1nc2ccccc2n1C[*:1])c1ccncc1
CC(C)N(C)C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C CC(C)[*:1] C[C@@H](NC(=O)N(C)[*:1])C(=O)N1CCCC[C@H]1C
Cc1nc2ccccc2nc1SCC(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc2ccccc2nc1SCC(=O)NCC[*:1]
Cc1nc2ccccc2nc1SCC(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1nc2ccccc2nc1SCC(=O)NC[*:1]
Cc1ccc(C)c(CS(=O)(=O)Cc2ccccc2SC(F)F)c1 FC(F)[*:1] Cc1ccc(C)c(c1)CS(=O)(=O)Cc1ccccc1S[*:1]
Cc1ccc(C)c(CS(=O)(=O)Cc2ccccc2SC(F)F)c1 FC(F)S[*:1] Cc1ccc(C)c(c1)CS(=O)(=O)Cc1ccccc1[*:1]
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCN(C(=O)[C@H](C)O)CC1 Fc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1CN1CCN(CC1)C(=O)[C@H](C)O
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCN(C(=O)[C@H](C)O)CC1 Fc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1CN1CCN(CC1)C(=O)[C@H](C)O)[*:1]
C[C@H]([NH2+]Cc1cn2ccccc2c1C#N)[C@H](C)n1cccn1 c1cnn(c1)[*:1] C[C@H]([NH2+]Cc1cn2ccccc2c1C#N)[C@H](C)[*:1]
C[C@H]([NH2+]Cc1cn2ccccc2c1C#N)[C@H](C)n1cccn1 C[C@H](n1cccn1)[*:1] C[C@H]([NH2+]Cc1cn2ccccc2c1C#N)[*:1]
COc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2C1 Fc1ccc(cc1)[*:1] COc1ccccc1N1CSC2=C(C#N)[C@H](CC(=O)N2C1)[*:1]
COc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2C1 COc1ccccc1[*:1] N#CC1=C2SCN(CN2C(=O)C[C@H]1c1ccc(F)cc1)[*:1]
CC[C@@H](NC(=O)c1ccc(Br)cc1F)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)c1ccc(Br)cc1F)[*:1]
O=C(c1cccc2ccccc12)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 c1ccc2c(cccc2c1)[*:1] O=C(N1CCN(CC1)c1ccnc(n1)N1CCOCC1)[*:1]
O=C(c1cccc2ccccc12)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 C1CN(CCO1)[*:1] O=C(c1cccc2ccccc12)N1CCN(CC1)c1ccnc(n1)[*:1]
O=C(CCOc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(CCO[*:1])NNC(=O)Nc1ccc(Cl)cc1
O=C(CCOc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)O[*:1] O=C(CC[*:1])NNC(=O)Nc1ccc(Cl)cc1
O=C(CCOc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCOc1ccccc1)NNC(=O)N[*:1]
C[C@H](Cl)C(=O)Nc1ccc2c3c(c(=O)[nH]c2c1)CCCC3 C[C@H](Cl)C(=O)N[*:1] O=c1[nH]c2cc(ccc2c2CCCCc21)[*:1]
C[C@H](Cl)C(=O)Nc1ccc2c3c(c(=O)[nH]c2c1)CCCC3 C[C@H](Cl)[*:1] O=C(Nc1ccc2c3CCCCc3c(=O)[nH]c2c1)[*:1]
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CNC(=O)C(C)(C)C CC(C)(C)C(=O)N[*:1] CN(CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)C(=O)C[*:1]
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CNC(=O)C(C)(C)C FC(F)(F)[*:1] CN(CC(=O)Nc1ccc(Cl)c(c1)[*:1])C(=O)CNC(=O)C(C)(C)C
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CNC(=O)C(C)(C)C CC(C)(C)C(=O)NC[*:1] CN(CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)C(=O)[*:1]
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CNC(=O)C(C)(C)C CC(C)(C)[*:1] CN(CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)C(=O)CNC(=O)[*:1]
CCOC(=O)/C=C(/C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 CCOC(=O)[*:1] CC(=C[*:1])NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-]
CCOC(=O)/C=C(/C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)/C=C(/C)NC(=O)c1ccc(Cl)c(c1)[*:1]
O[C@H]1C[C@H]2O[C@@H](O)C[C@H]2[C@H]1CC[C@@H](O)CCc1ccccc1 c1ccc(cc1)C[*:1] O[C@H]1C[C@H]2O[C@@H](O)C[C@H]2[C@H]1CC[C@@H](O)C[*:1]
O[C@H]1C[C@H]2O[C@@H](O)C[C@H]2[C@H]1CC[C@@H](O)CCc1ccccc1 c1ccc(cc1)[*:1] O[C@H]1C[C@H]2O[C@@H](O)C[C@H]2[C@H]1CC[C@@H](O)CC[*:1]
CCC(=O)n1nc(SC)c(S(=O)(=O)c2ccccc2)c1N c1ccc(cc1)[*:1] CCC(=O)n1nc(SC)c(c1N)S(=O)(=O)[*:1]
CC[NH2+][C@H]1CCC[C@H](OCC)C1 CCO[*:1] CC[NH2+][C@H]1CCC[C@H](C1)[*:1]
O=C(COc1ccccc1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F c1ccc(cc1)O[*:1] O=C(C[*:1])N1N=C(C[C@@]1(O)C(F)(F)F)c1ccncc1
O=C(COc1ccccc1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F c1ccc(cc1)[*:1] O=C(CO[*:1])N1N=C(C[C@@]1(O)C(F)(F)F)c1ccncc1
O=C(COc1ccccc1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] O=C(COc1ccccc1)N1N=C(C[C@]1(O)[*:1])c1ccncc1
O=C(COc1ccccc1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F c1ccc(cc1)OC[*:1] O=C(N1N=C(C[C@@]1(O)C(F)(F)F)c1ccncc1)[*:1]
O=C(COc1ccccc1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F c1cc(ccn1)[*:1] O=C(COc1ccccc1)N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
CCc1noc(-c2ccc(CCNC(=O)c3cc(NC(C)=O)ccc3O)cc2)n1 CCc1noc(n1)[*:1] CC(=O)Nc1ccc(O)c(c1)C(=O)NCCc1ccc(cc1)[*:1]
CCc1noc(-c2ccc(CCNC(=O)c3cc(NC(C)=O)ccc3O)cc2)n1 CC(=O)N[*:1] CCc1noc(n1)-c1ccc(cc1)CCNC(=O)c1cc(ccc1O)[*:1]
COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1O Clc1ccc(cc1)[*:1] COc1cc(/C=C2\SC(=O)N(C[*:1])C2=O)cc(Cl)c1O
COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1O Clc1ccc(cc1)C[*:1] COc1cc(/C=C2\SC(=O)N(C2=O)[*:1])cc(Cl)c1O
CN(C)C(=O)CCc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 CN(C)C(=O)CC[*:1] O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
CN(C)C(=O)CCc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 CN(C)C(=O)[*:1] O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(c1)CC[*:1]
CN(C)C(=O)CCc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 CN(C)C(=O)C[*:1] O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(c1)C[*:1]
CN(C)C(=O)CCc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] CN(C)C(=O)CCc1cccc(c1)NC(=O)[C@H]1CCCC[C@H]1[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(C)c(OCCC(C)C)c2)o1 CC(C)CCO[*:1] Cc1nc(C)c(o1)C(=O)Nc1ccc(C)c(c1)[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(C)c(OCCC(C)C)c2)o1 CC(C)C[*:1] Cc1nc(C)c(o1)C(=O)Nc1ccc(C)c(c1)OC[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(C)c(OCCC(C)C)c2)o1 CC(C)[*:1] Cc1nc(C)c(o1)C(=O)Nc1ccc(C)c(c1)OCC[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(C)c(OCCC(C)C)c2)o1 CC(C)CC[*:1] Cc1nc(C)c(o1)C(=O)Nc1ccc(C)c(c1)O[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(C)c(OCCC(C)C)c2)o1 Cc1nc(C)c(o1)[*:1] Cc1ccc(cc1OCCC(C)C)NC(=O)[*:1]
Fc1cccc(C[NH2+]Cc2ccnc(OC3CCC3)c2)c1 C1CC(C1)[*:1] Fc1cccc(c1)C[NH2+]Cc1ccnc(c1)O[*:1]
Fc1cccc(C[NH2+]Cc2ccnc(OC3CCC3)c2)c1 C1CC(C1)O[*:1] Fc1cccc(c1)C[NH2+]Cc1ccnc(c1)[*:1]
Fc1cccc(C[NH2+]Cc2ccnc(OC3CCC3)c2)c1 Fc1cccc(c1)[*:1] c1cc(cc(n1)OC1CCC1)C[NH2+]C[*:1]
C[C@]1(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CCCO1 CS(=O)(=O)[*:1] C[C@@]1(CCCO1)C[NH2+]C[C@H](O)c1ccc(cc1)[*:1]
O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2F)CC1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])N1CCN(CC1)Cc1ccccc1F
O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2F)CC1 c1ccc(cc1)C[*:1] O=S(=O)(N1CCN(CC1)Cc1ccccc1F)[*:1]
O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=S(=O)(Cc1ccccc1)N1CCN(CC1)[*:1]
O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1[*:1] O=S(=O)(Cc1ccccc1)N1CCN(CC1)C[*:1]
CCCS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
Cc1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)[C@@H]1CN(CCN1S(=O)(=O)c1ccccc1)S(=O)(=O)[*:1]
Cc1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CN(CCN1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Cc1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1 Cc1cccc(c1)NC(=O)[*:1] O=S(=O)(c1ccccc1)N1CCN([C@@H](C1)[*:1])S(=O)(=O)c1ccccc1
Cc1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)[C@@H]1CN(CCN1S(=O)(=O)[*:1])S(=O)(=O)c1ccccc1
COC(=O)[C@H](NC(=O)/C=C/c1c(Cl)cccc1Cl)C(C)C COC(=O)[*:1] CC(C)[C@@H](NC(=O)/C=C/c1c(Cl)cccc1Cl)[*:1]
COC(=O)[C@H](NC(=O)/C=C/c1c(Cl)cccc1Cl)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)/C=C/c1c(Cl)cccc1Cl)[*:1]
Cn1nccc1CNC(=O)c1cccc(C#N)c1 Cn1nccc1[*:1] N#Cc1cccc(c1)C(=O)NC[*:1]
CC(=O)Nc1cccc(NC(=O)N(C)Cc2sccc2C)c1C Cc1ccsc1C[*:1] CC(=O)Nc1cccc(NC(=O)N(C)[*:1])c1C
CC(=O)Nc1cccc(NC(=O)N(C)Cc2sccc2C)c1C Cc1ccsc1[*:1] CC(=O)Nc1cccc(NC(=O)N(C)C[*:1])c1C
CC(=O)Nc1cccc(NC(=O)N(C)Cc2sccc2C)c1C CC(=O)N[*:1] Cc1ccsc1CN(C)C(=O)Nc1cccc(c1C)[*:1]
Cc1cccc2nc(CN(C)Cc3nc(Cc4ccccc4F)no3)[nH]c12 Fc1ccccc1C[*:1] Cc1cccc2nc(CN(C)Cc3nc(no3)[*:1])[nH]c12
Cc1cccc2nc(CN(C)Cc3nc(Cc4ccccc4F)no3)[nH]c12 Fc1ccccc1[*:1] Cc1cccc2nc(CN(C)Cc3nc(C[*:1])no3)[nH]c12
CC(C)(C)c1csc(CNC(=O)Nc2cc(C#N)ccc2Cl)n1 CC(C)(C)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NCc1nc(cs1)[*:1]
C[C@@H](COc1ccc(Cl)cc1)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 Cn1cc(cn1)[*:1] C[C@@H](COc1ccc(Cl)cc1)NC(=O)c1cc(nc2ccccc12)[*:1]
C[C@@H](COc1ccc(Cl)cc1)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 Clc1ccc(cc1)O[*:1] C[C@@H](C[*:1])NC(=O)c1cc(nc2ccccc12)-c1cnn(C)c1
C[C@@H](COc1ccc(Cl)cc1)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 Clc1ccc(cc1)OC[*:1] C[C@@H](NC(=O)c1cc(nc2ccccc12)-c1cnn(C)c1)[*:1]
C[C@@H](COc1ccc(Cl)cc1)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 Clc1ccc(cc1)[*:1] C[C@@H](CO[*:1])NC(=O)c1cc(nc2ccccc12)-c1cnn(C)c1
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1nc2ccccc2s1 Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)N(C)Cc1nc2ccccc2s1)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] Cc1onc(c1C(=O)N(C)C[*:1])-c1c(F)cccc1Cl
CC[C@@H](C)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1 CC[C@@H](C)[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1 O=C([O-])[*:1] CC[C@@H](C)c1ccc(cc1)NC(=O)[C@@H]1[C@@H]([C@@H]2C=C[C@H]1C2)[*:1]
CC(C)CC1(CNC(=O)c2ccc(N)[nH+]n2)CCCC1 CC(C)[*:1] Nc1ccc(n[nH+]1)C(=O)NCC1(CCCC1)C[*:1]
CC(C)CC1(CNC(=O)c2ccc(N)[nH+]n2)CCCC1 CC(C)C[*:1] Nc1ccc(n[nH+]1)C(=O)NCC1(CCCC1)[*:1]
COC(=O)C1=C(CSc2n[nH]c(N)n2)[C@H](C(=O)OC)[C@@H](N)S1 COC(=O)[*:1] COC(=O)C1S[C@H](N)[C@@H](C=1CSc1n[nH]c(N)n1)[*:1]
COC(=O)C1=C(CSc2n[nH]c(N)n2)[C@H](C(=O)OC)[C@@H](N)S1 Nc1nc(n[nH]1)S[*:1] COC(=O)C1S[C@H](N)[C@@H](C(=O)OC)C=1C[*:1]
COC(=O)C1=C(CSc2n[nH]c(N)n2)[C@H](C(=O)OC)[C@@H](N)S1 COC(=O)[*:1] COC(=O)[C@H]1C(CSc2n[nH]c(N)n2)=C(S[C@@H]1N)[*:1]
COC(=O)C1=C(CSc2n[nH]c(N)n2)[C@H](C(=O)OC)[C@@H](N)S1 Nc1nc(n[nH]1)[*:1] COC(=O)C1S[C@H](N)[C@@H](C(=O)OC)C=1CS[*:1]
Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)nnn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(nnn1C[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)nnn1Cc1ccccc1 Clc1ccc(cc1Cl)[*:1] Cc1c(nnn1Cc1ccccc1)C(=O)N[*:1]
Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)nnn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1c(nnn1[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
CCC(CC)Oc1ccc(C(N)=S)cc1Cl CCC(CC)[*:1] NC(=S)c1ccc(O[*:1])c(Cl)c1
CCC(CC)Oc1ccc(C(N)=S)cc1Cl NC(=S)[*:1] CCC(CC)Oc1ccc(cc1Cl)[*:1]
COC(=O)CCNc1cc(C(C)(C)C)nc(Cl)n1 CC(C)(C)[*:1] COC(=O)CCNc1cc(nc(Cl)n1)[*:1]
COC(=O)CCNc1cc(C(C)(C)C)nc(Cl)n1 COC(=O)CC[*:1] CC(C)(C)c1cc(nc(Cl)n1)N[*:1]
COC(=O)CCNc1cc(C(C)(C)C)nc(Cl)n1 COC(=O)C[*:1] CC(C)(C)c1cc(nc(Cl)n1)NC[*:1]
COC(=O)CCNc1cc(C(C)(C)C)nc(Cl)n1 COC(=O)[*:1] CC(C)(C)c1cc(nc(Cl)n1)NCC[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(CC1)S(=O)(=O)C[*:1]
O=C(/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] O=C(/C=C/c1ccc(cc1)S(=O)(=O)NC1CC1)N[*:1]
O=C(/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Br)cc1F O=S(=O)(NC1CC1)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1ccc(Br)cc1F
O=C(/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Br)cc1F C1CC1[*:1] O=C(/C=C/c1ccc(cc1)S(=O)(=O)N[*:1])Nc1ccc(Br)cc1F
Cc1cccc(C)c1OC1CN(C(=O)c2cccc(N(C)C)c2)C1 CN(C)[*:1] Cc1cccc(C)c1OC1CN(C1)C(=O)c1cccc(c1)[*:1]
Cc1cccc(C)c1OC1CN(C(=O)c2cccc(N(C)C)c2)C1 Cc1cccc(C)c1[*:1] CN(C)c1cccc(c1)C(=O)N1CC(C1)O[*:1]
N#Cc1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(/C=C/c2nc(cs2)[*:1])cc1
Cn1ncnc1CCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 Cn1ncnc1[*:1] O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCC[*:1]
Cn1ncnc1CCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 Cn1ncnc1CC[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N[*:1]
Cn1ncnc1CCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 Cn1ncnc1C[*:1] O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NC[*:1]
CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2c(F)cccc2s1 COc1ccccc1[*:1] CCCN(CC(=O)N[*:1])C(=O)c1cc2c(F)cccc2s1
CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2c(F)cccc2s1 CCC[*:1] COc1ccccc1NC(=O)CN(C(=O)c1cc2c(F)cccc2s1)[*:1]
COc1ccccc1-c1nc2n(n1)[C@H](c1cccc(OC)c1OC)C(C(=O)Nc1cccnc1)=C(C)N2 O=C(Nc1cccnc1)[*:1] COc1ccccc1-c1nc2NC(C)=C([C@@H](c3cccc(OC)c3OC)n2n1)[*:1]
COc1ccccc1-c1nc2n(n1)[C@H](c1cccc(OC)c1OC)C(C(=O)Nc1cccnc1)=C(C)N2 COc1cccc(c1OC)[*:1] COc1ccccc1-c1nc2NC(C)=C(C(=O)Nc3cccnc3)[C@@H](n2n1)[*:1]
COc1ccccc1-c1nc2n(n1)[C@H](c1cccc(OC)c1OC)C(C(=O)Nc1cccnc1)=C(C)N2 COc1ccccc1[*:1] COc1cccc(c1OC)[C@@H]1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(nn21)[*:1]
COc1ccccc1-c1nc2n(n1)[C@H](c1cccc(OC)c1OC)C(C(=O)Nc1cccnc1)=C(C)N2 c1cncc(c1)[*:1] COc1ccccc1-c1nc2NC(C)=C(C(=O)N[*:1])[C@@H](c3cccc(OC)c3OC)n2n1
CC[C@@H](C)C(=O)n1cnc2ccccc21 CC[C@@H](C)[*:1] O=C(n1cnc2ccccc21)[*:1]
Cc1cccc(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)c1Cl Cc1cccc(c1Cl)[*:1] O=C1Cc2cc(ccc2N1)CCCC(=O)N[*:1]
Cn1cnc(CNC(=O)c2cncn2-c2ccccc2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])c1cncn1-c1ccccc1
Cn1cnc(CNC(=O)c2cncn2-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cnc(CNC(=O)c2cncn2[*:1])n1
Cn1cnc(CNC(=O)c2cncn2-c2ccccc2)n1 Cn1cnc(C[*:1])n1 O=C(N[*:1])c1cncn1-c1ccccc1
CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(C)=O)C1 CCNC(=O)[*:1] COc1ccccc1-c1ccc(cc1)C[C@]1(CCN(C1)C(C)=O)[*:1]
CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(C)=O)C1 COc1ccccc1[*:1] CCNC(=O)[C@]1(CCN(C1)C(C)=O)Cc1ccc(cc1)[*:1]
CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(SCC)nn2[C@@H]1c1sccc1C CCOc1ccccc1[*:1] CCSc1nc2NC(C)=C(C(=O)N[*:1])[C@@H](c3sccc3C)n2n1
CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(SCC)nn2[C@@H]1c1sccc1C CCS[*:1] CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1sccc1C)[*:1]
CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(SCC)nn2[C@@H]1c1sccc1C Cc1ccsc1[*:1] CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(nn2[C@H]1[*:1])SCC
CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(SCC)nn2[C@@H]1c1sccc1C CCO[*:1] CCSc1nc2NC(C)=C(C(=O)Nc3ccccc3[*:1])[C@@H](c3sccc3C)n2n1
O=C(CS(=O)(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)(C[*:1])[C@@H](c1ccccc1)c1ccc(Cl)cc1
O=C(CS(=O)(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)[C@@H](c1ccc(Cl)cc1)[*:1])N1CCOCC1
O=C(CS(=O)(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CCOCC1 Clc1ccc(cc1)[*:1] O=C(CS(=O)(=O)[C@@H](c1ccccc1)[*:1])N1CCOCC1
Cc1ccc2nc(SCC(=O)NCc3ccccc3)[nH]c2c1 c1ccc(cc1)C[*:1] Cc1ccc2nc([nH]c2c1)SCC(=O)N[*:1]
Cc1ccc2nc(SCC(=O)NCc3ccccc3)[nH]c2c1 c1ccc(cc1)[*:1] Cc1ccc2nc([nH]c2c1)SCC(=O)NC[*:1]
O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Br)cc2)N1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Br)cc2)N1CC[*:1]
O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Br)cc2)N1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Br)cc2)N1C[*:1]
O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Br)cc2)N1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Br)cc2)N1[*:1]
O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Br)cc2)N1CCc1ccccc1 Brc1ccc(cc1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](N1CCc1ccccc1)[*:1]
COc1ccccc1NC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1 COc1ccccc1[*:1] Cc1cc(C)n(n1)-c1cc(nc(C)n1)N1CCN(CC1)C(=O)N[*:1]
COc1ccccc1NC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1 Cc1cc(C)n(n1)[*:1] COc1ccccc1NC(=O)N1CCN(CC1)c1cc(nc(C)n1)[*:1]
C(#CCN1CCCC1)C=C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C(#CCN1CCCC1)C=C(c1ccccc1)[*:1]
C(#CCN1CCCC1)C=C(c1ccccc1)c1ccccc1 C1CCN(C1)[*:1] C(#CC[*:1])C=C(c1ccccc1)c1ccccc1
C(#CCN1CCCC1)C=C(c1ccccc1)c1ccccc1 C1CCN(C1)C[*:1] C(#C[*:1])C=C(c1ccccc1)c1ccccc1
C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 CC(C)(C)[*:1] C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)C2CCN(CC2)C(=O)O[*:1])C1
O=C(CCCc1cccs1)Nc1cccc(C(=O)NC2=NCCS2)c1 c1csc(c1)CC[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)NC1=NCCS1
O=C(CCCc1cccs1)Nc1cccc(C(=O)NC2=NCCS2)c1 c1csc(c1)[*:1] O=C(CCC[*:1])Nc1cccc(c1)C(=O)NC1=NCCS1
O=C(CCCc1cccs1)Nc1cccc(C(=O)NC2=NCCS2)c1 c1csc(c1)CCC[*:1] O=C(NC1=NCCS1)c1cccc(c1)NC(=O)[*:1]
O=C(CCCc1cccs1)Nc1cccc(C(=O)NC2=NCCS2)c1 c1csc(c1)C[*:1] O=C(CC[*:1])Nc1cccc(c1)C(=O)NC1=NCCS1
Cc1ccc(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[*:1]
Cc1ccc(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CC(=O)NCc1c(C)nn(c1C)[*:1]
Cc1ccc(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[*:1]
O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F Brc1ccc(cc1)C[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N(c1ccc(F)cc1F)[*:1]
O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(Br)cc1)[*:1]
O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F Brc1ccc(cc1)[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N(C[*:1])c1ccc(F)cc1F
N#Cc1cc(F)cc(-c2nc(N)ccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1cc(F)cc(c1)-c1nc(N)ccc1[*:1]
Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)n1C c1cc2OCCOc2cc1[*:1] Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(n1C)[*:1]
Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)n1C Cc1[nH]c2ccccc2c1[*:1] Cn1c(nnc1-c1ccc2OCCOc2c1)SCC(=O)[*:1]
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Cl)cc(Cl)c1OC CCOC(=O)[*:1] COc1c(Cl)cc(Cl)cc1[C@@H]1NC(=O)NC(=C1[*:1])c1ccccc1
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Cl)cc(Cl)c1OC c1ccc(cc1)[*:1] CCOC(=O)C1=C(NC(=O)N[C@H]1c1cc(Cl)cc(Cl)c1OC)[*:1]
Cc1nsc(N[C@H](C)c2cccs2)c1C(=O)[O-] c1csc(c1)[*:1] Cc1nsc(N[C@H](C)[*:1])c1C(=O)[O-]
Cc1nsc(N[C@H](C)c2cccs2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(N[C@H](C)c2cccs2)c1[*:1]
OCC[C@H]1CN(Cc2cccn2-c2ncccn2)CCN1Cc1ccc(F)cc1 c1cnc(nc1)[*:1] OCC[C@H]1CN(CCN1Cc1ccc(F)cc1)Cc1cccn1[*:1]
OCC[C@H]1CN(Cc2cccn2-c2ncccn2)CCN1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] OCC[C@H]1CN(CCN1[*:1])Cc1cccn1-c1ncccn1
OCC[C@H]1CN(Cc2cccn2-c2ncccn2)CCN1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] OCC[C@H]1CN(CCN1C[*:1])Cc1cccn1-c1ncccn1
OCC[C@H]1CN(Cc2cccn2-c2ncccn2)CCN1Cc1ccc(F)cc1 OCC[*:1] Fc1ccc(cc1)CN1CCN(Cc2cccn2-c2ncccn2)C[C@@H]1[*:1]
O=C1N[C@](c2cccnc2)(C2CC[NH2+]CC2)C(=O)N1CCO c1cncc(c1)[*:1] O=C1N[C@@](C(=O)N1CCO)(C1CC[NH2+]CC1)[*:1]
O=C1N[C@](c2cccnc2)(C2CC[NH2+]CC2)C(=O)N1CCO OCC[*:1] O=C1N[C@](C(=O)N1[*:1])(c1cccnc1)C1CC[NH2+]CC1
Cc1occc(=O)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1occc(=O)c1OCC(=O)Nc1cccc(c1)[*:1]
CO[C@@H](C)c1nc(C)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)s1 O=[N+]([O-])[*:1] CO[C@@H](C)c1nc(C)c(s1)C(=O)N1CCc2ccc(cc2C1)[*:1]
CCC[NH2+][C@H](CC)[C@H]1CCCc2ccc(OC)cc21 CCC[*:1] CC[C@@H]([NH2+][*:1])[C@H]1CCCc2ccc(cc21)OC
COC(=O)c1cc(CNC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)oc1C Clc1ccc(cc1)[*:1] COC(=O)c1cc(CNC(=O)N(C)[C@@H](C)[*:1])oc1C
COC(=O)c1cc(CNC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1
CC1(C)[C@@H](NC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H]2CCO[C@@H]21 CC(C)(C)[*:1] CC1(C)[C@@H](NC(=O)N[C@@H]2CC(=O)N(C2)[*:1])[C@@H]2CCO[C@@H]21
CSCc1ccnc(NCCn2cc([N+](=O)[O-])cn2)c1 O=[N+]([O-])[*:1] CSCc1ccnc(c1)NCCn1cc(cn1)[*:1]
CSCc1ccnc(NCCn2cc([N+](=O)[O-])cn2)c1 CSC[*:1] O=[N+]([O-])c1cnn(c1)CCNc1cc(ccn1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(CN2C(=O)C[C@@](C)(C(C)C)C2=O)C1 COC(=O)C(C)(C)[*:1] CC(C)[C@]1(C)CC(=O)N(CN2CCC[C@@H](C2)[*:1])C1=O
COC(=O)C(C)(C)[C@H]1CCCN(CN2C(=O)C[C@@](C)(C(C)C)C2=O)C1 COC(=O)[*:1] CC(C)[C@]1(C)CC(=O)N(CN2CCC[C@@H](C2)C(C)(C)[*:1])C1=O
CNC(=O)c1cc(N2CCO[C@H](C#N)C2)cc[nH+]1 CNC(=O)[*:1] N#C[C@@H]1CN(CCO1)c1cc[nH+]c(c1)[*:1]
C[C@H](C(=O)NC(C)(C)C)N1CC[S@@](=O)C(C)(C)C1 CC(C)(C)[*:1] C[C@H](C(=O)N[*:1])N1CC[S@@](=O)C(C)(C)C1
N#Cc1cccnc1Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 N#Cc1cccnc1[*:1] Brc1ccc(o1)-c1nnc(S[*:1])n1Cc1ccccc1
N#Cc1cccnc1Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 Brc1ccc(o1)[*:1] N#Cc1cccnc1Sc1nnc(n1Cc1ccccc1)[*:1]
N#Cc1cccnc1Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 c1ccc(cc1)[*:1] N#Cc1cccnc1Sc1nnc(-c2ccc(Br)o2)n1C[*:1]
N#Cc1cccnc1Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 N#Cc1cccnc1S[*:1] Brc1ccc(o1)-c1nnc(n1Cc1ccccc1)[*:1]
N#Cc1cccnc1Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] N#Cc1cccnc1Sc1nnc(-c2ccc(Br)o2)n1[*:1]
Cc1cccc(CCC(=O)N2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)n1 Cc1cccc(C[*:1])n1 O=C(C[*:1])N1CCC(O)(CC1)Cn1cnc2ccccc2c1=O
Cc1cccc(CCC(=O)N2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)n1 Cc1cccc(n1)[*:1] O=C(CC[*:1])N1CCC(O)(CC1)Cn1cnc2ccccc2c1=O
Cc1cccc(CCC(=O)N2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)n1 Cc1cccc(CC[*:1])n1 O=C(N1CCC(O)(CC1)Cn1cnc2ccccc2c1=O)[*:1]
CN(C)C(=O)[C@H]1C[NH2+]CCN1[C@@H]1CCCCC1(C)C CN(C)C(=O)[*:1] CC1(C)CCCC[C@H]1N1CC[NH2+]C[C@@H]1[*:1]
CC(=O)c1c[nH]c(C(=O)N2CCOC[C@@H]2C)c1 CC(=O)[*:1] C[C@H]1COCCN1C(=O)c1cc(c[nH]1)[*:1]
Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H](O)c2ccccc2)o1 Cc1ccc(o1)[*:1] O=C([C@H](O)c1ccccc1)N1CCCCC[C@H]1[*:1]
Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H](O)c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@@H]1CCCCCN1C(=O)[C@H](O)[*:1]
c1ccc(-c2nn3c(c2-c2ccc4nccnc4c2)CCC3)nc1 c1ccc(nc1)[*:1] c1cnc2cc(ccc2n1)-c1c(nn2CCCc12)[*:1]
CCC(=O)c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 CCC(=O)[*:1] O=S(=O)(Oc1ccccc1[*:1])c1ccc(Cl)cc1
CCC(=O)c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCC(=O)c1ccccc1OS(=O)(=O)[*:1]
O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccccc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(c(Nc2ccccc2)c2nonc12)[*:1]
O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccccc1 c1ccc(cc1)N[*:1] O=[N+]([O-])c1cc(c2nonc2c1[*:1])[N+](=O)[O-]
O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccccc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(c2nonc2c1Nc1ccccc1)[*:1]
O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(c2nonc2c1N[*:1])[N+](=O)[O-]
Cc1csc(SCc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)n1 Cc1csc(n1)S[*:1] O=C(Nc1ccc2OCOc2c1)c1ccccc1C[*:1]
Cc1csc(SCc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)n1 Cc1csc(n1)[*:1] O=C(Nc1ccc2OCOc2c1)c1ccccc1CS[*:1]
Cc1csc(SCc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)n1 Cc1csc(n1)SC[*:1] O=C(Nc1ccc2OCOc2c1)c1ccccc1[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N(C)[C@@H]3CCC[C@H](C)C3)cn2)n1 Cc1cc(C)n(n1)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)c1ccc(nc1)[*:1]
CCCCNC(=O)Oc1cccc2cccnc12 CCC[*:1] O=C(NC[*:1])Oc1cccc2cccnc12
CCCCNC(=O)Oc1cccc2cccnc12 CCCC[*:1] O=C(N[*:1])Oc1cccc2cccnc12
CS(=O)(=O)CCCNC(=O)NC1(c2ccccc2F)CC1 CS(=O)(=O)CC[*:1] O=C(NC[*:1])NC1(CC1)c1ccccc1F
CS(=O)(=O)CCCNC(=O)NC1(c2ccccc2F)CC1 Fc1ccccc1[*:1] CS(=O)(=O)CCCNC(=O)NC1(CC1)[*:1]
CS(=O)(=O)CCCNC(=O)NC1(c2ccccc2F)CC1 CS(=O)(=O)[*:1] O=C(NCCC[*:1])NC1(CC1)c1ccccc1F
CS(=O)(=O)CCCNC(=O)NC1(c2ccccc2F)CC1 CS(=O)(=O)C[*:1] O=C(NCC[*:1])NC1(CC1)c1ccccc1F
CS(=O)(=O)CCCNC(=O)NC1(c2ccccc2F)CC1 CS(=O)(=O)CCC[*:1] O=C(NC1(CC1)c1ccccc1F)N[*:1]
O=C(NCc1cccnc1)NCc1ccc(Oc2ccc(F)cc2)nc1 c1cncc(c1)C[*:1] O=C(NCc1ccc(nc1)Oc1ccc(F)cc1)N[*:1]
O=C(NCc1cccnc1)NCc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)O[*:1] O=C(NCc1cccnc1)NCc1ccc(nc1)[*:1]
O=C(NCc1cccnc1)NCc1ccc(Oc2ccc(F)cc2)nc1 c1cncc(c1)[*:1] O=C(NCc1ccc(nc1)Oc1ccc(F)cc1)NC[*:1]
O=C(NCc1cccnc1)NCc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)[*:1] O=C(NCc1cccnc1)NCc1ccc(nc1)O[*:1]
NS(=O)(=O)C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] NS(=O)(=O)C[C@H]1CCCN(C1)c1ccccc1[*:1]
NS(=O)(=O)C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 NS(=O)(=O)C[*:1] O=[N+]([O-])c1ccccc1N1CCC[C@@H](C1)[*:1]
NS(=O)(=O)C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 NS(=O)(=O)[*:1] O=[N+]([O-])c1ccccc1N1CCC[C@@H](C1)C[*:1]
C[C@]1(c2ccccc2Cl)C[NH+]=C(N)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(C[NH+]=C(N)N1[*:1])c1ccccc1Cl
O=C(NCCCn1ccccc1=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 O=c1ccccn1[*:1] O=C(NCCC[*:1])[C@@H]1C[C@@H]1c1ccc(Cl)cc1
O=C(NCCCn1ccccc1=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCCCn1ccccc1=O)[C@@H]1C[C@H]1[*:1]
Nn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1[nH]nc2c1CCC2 FC(F)(F)[*:1] Nn1c(nnc1-c1[nH]nc2CCCc21)SCC(=O)Nc1cc(cc(c1)[*:1])C(F)(F)F
Cn1ncnc1CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 Cn1ncnc1C[*:1] O=C(NC[*:1])N1CCN(CC1)c1cc[nH+]cc1
Cn1ncnc1CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 Cn1ncnc1[*:1] O=C(NCC[*:1])N1CCN(CC1)c1cc[nH+]cc1
O=C(C1CCCC1)N(Cc1ccccc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 c1ccc(cc1)C[*:1] O=C(C1CCCC1)N(C[C@@H]1CC(=NO1)c1cccc(F)c1)[*:1]
O=C(C1CCCC1)N(Cc1ccccc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 c1ccc(cc1)[*:1] O=C(C1CCCC1)N(C[C@@H]1CC(=NO1)c1cccc(F)c1)C[*:1]
O=C(C1CCCC1)N(Cc1ccccc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 C1CCC(C1)[*:1] O=C(N(Cc1ccccc1)C[C@@H]1CC(=NO1)c1cccc(F)c1)[*:1]
O=C(C1CCCC1)N(Cc1ccccc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] O=C(C1CCCC1)N(Cc1ccccc1)C[C@@H]1CC(=NO1)[*:1]
COCc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cc1 COC[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NCc1ccc(cc1)[*:1]
C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] C[C@H](N[C@@H]1CCN(C1=O)c1ccccc1F)c1ccc(cc1)[*:1]
C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc([S@@](C)=O)cc1 Fc1ccccc1[*:1] C[C@H](N[C@@H]1CCN(C1=O)[*:1])c1ccc(cc1)[S@@](C)=O
C[NH+](CC(=O)[O-])Cc1nccs1 O=C([O-])C[*:1] C[NH+](Cc1nccs1)[*:1]
C[NH+](CC(=O)[O-])Cc1nccs1 O=C([O-])[*:1] C[NH+](Cc1nccs1)C[*:1]
CN(C(=O)CCCOc1cccc(F)c1)c1ccccc1S(C)(=O)=O Fc1cccc(c1)[*:1] CN(C(=O)CCCO[*:1])c1ccccc1S(C)(=O)=O
CN(C(=O)CCCOc1cccc(F)c1)c1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)CCCOc1cccc(F)c1)c1ccccc1[*:1]
CN(C(=O)CCCOc1cccc(F)c1)c1ccccc1S(C)(=O)=O Fc1cccc(c1)O[*:1] CN(C(=O)CCC[*:1])c1ccccc1S(C)(=O)=O
COc1cccc(N2C[C@H](C(=O)Nc3cccnc3OC)CC2=O)c1 COc1ncccc1[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
COc1cccc(N2C[C@H](C(=O)Nc3cccnc3OC)CC2=O)c1 COc1cccc(c1)[*:1] COc1ncccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)NCCNc1cccc(F)c1C#N N#Cc1c(F)cccc1[*:1] C=C1c2ccccc2C(=O)N1CC(=O)NCCN[*:1]
Cc1nc(COc2cccc(C(=O)NNc3ccc(F)cc3)c2)cs1 Cc1nc(cs1)C[*:1] O=C(NNc1ccc(F)cc1)c1cccc(c1)O[*:1]
Cc1nc(COc2cccc(C(=O)NNc3ccc(F)cc3)c2)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)COc1cccc(c1)C(=O)NN[*:1]
Cc1nc(COc2cccc(C(=O)NNc3ccc(F)cc3)c2)cs1 Cc1nc(cs1)CO[*:1] O=C(NNc1ccc(F)cc1)c1cccc(c1)[*:1]
Cc1nc(COc2cccc(C(=O)NNc3ccc(F)cc3)c2)cs1 Cc1nc(cs1)[*:1] O=C(NNc1ccc(F)cc1)c1cccc(c1)OC[*:1]
Cc1nc(-c2ccc(NC(=O)c3cccs3)cc2)cs1 c1csc(c1)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)[*:1]
Cc1nc(-c2ccc(NC(=O)c3cccs3)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccs1
COC(=O)c1ccccc1NC(=O)NCCn1c(-c2ccncc2)nc2cccnc21 COC(=O)[*:1] O=C(NCCn1c(nc2cccnc21)-c1ccncc1)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NC(=O)NCCn1c(-c2ccncc2)nc2cccnc21 COC(=O)c1ccccc1[*:1] O=C(NCCn1c(nc2cccnc21)-c1ccncc1)N[*:1]
COC(=O)c1ccccc1NC(=O)NCCn1c(-c2ccncc2)nc2cccnc21 c1cc(ccn1)[*:1] COC(=O)c1ccccc1NC(=O)NCCn1c(nc2cccnc21)[*:1]
CC(C)(C)c1nnc2sc(SCC(=O)c3ccc4c(c3)OCCO4)nn2c1=O CC(C)(C)[*:1] O=C(CSc1nn2c(=O)c(nnc2s1)[*:1])c1ccc2OCCOc2c1
COc1ccc(SCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] O=C(CS[*:1])N1CCO[C@@H](C1)c1ccccc1
COc1ccc(SCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)SCC(=O)N1CCO[C@H](C1)[*:1]
C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)C#N C[C@@H](C#N)[*:1] C[NH2+]C[C@@H](C)C(=O)NC[*:1]
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[*:1]
Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN2CCc2ccccc2)[nH+]1 c1ccc(cc1)[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1CC[*:1])-c1cnc(N)nc1
Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN2CCc2ccccc2)[nH+]1 c1ccc(cc1)CC[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1[*:1])-c1cnc(N)nc1
Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN2CCc2ccccc2)[nH+]1 Nc1ncc(cn1)[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1CCc1ccccc1)[*:1]
Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN2CCc2ccccc2)[nH+]1 c1ccc(cc1)C[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1C[*:1])-c1cnc(N)nc1
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(Br)c(c1)[*:1]
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])c1cc(ccc1Br)[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)[*:1]
COc1ccc(NC(=O)Cn2cnc(C3CCC3)cc2=O)c([N+](=O)[O-])c1 C1CC(C1)[*:1] COc1ccc(NC(=O)Cn2cnc(cc2=O)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)Cn2cnc(C3CCC3)cc2=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)Cn2cnc(cc2=O)C2CCC2)c(c1)[*:1]
N#Cc1c(NC(=O)CO/N=C\c2ccccc2)sc2c1CCCC2 c1ccc(cc1)[*:1] N#Cc1c(NC(=O)CON=C[*:1])sc2CCCCc21
COc1ccc(NC(=O)CN2CCN(c3ccc(OC)c(OC)c3)C2=O)cc1Cl COc1ccc(cc1Cl)[*:1] COc1ccc(cc1OC)N1CCN(CC(=O)N[*:1])C1=O
CC(C)C1CCC([NH+]2CCN(CC3=CCCOC3)CC2)CC1 CC(C)[*:1] C1CCOCC=1CN1CC[NH+](CC1)C1CCC(CC1)[*:1]
C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 C1CC1[*:1] C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](c1ccc(F)cc1)[*:1]
C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 CN(C)C(=O)[*:1] C[C@@H](C[*:1])[NH2+][C@@H](c1ccc(F)cc1)C1CC1
C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 CN(C)C(=O)C[*:1] C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CC1)[*:1]
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCS/C1=N\CCc1ccccc1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)N1CCCS/C1=N\CC[*:1]
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCS/C1=N\CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)N1CCCSC1=N[*:1]
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCS/C1=N\CCc1ccccc1 O=S(=O)(N1CCOCC1)[*:1] O=C(c1cccc(c1)[*:1])N1CCCS/C1=N\CCc1ccccc1
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCS/C1=N\CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)N1CCCS/C1=N\C[*:1]
CCCCc1ccc(-n2nnc(N)c2C(C)(C)C)cc1 CCC[*:1] CC(C)(C)c1c(N)nnn1-c1ccc(cc1)C[*:1]
CCCCc1ccc(-n2nnc(N)c2C(C)(C)C)cc1 CC(C)(C)[*:1] CCCCc1ccc(cc1)-n1nnc(N)c1[*:1]
CCCCc1ccc(-n2nnc(N)c2C(C)(C)C)cc1 CCCC[*:1] CC(C)(C)c1c(N)nnn1-c1ccc(cc1)[*:1]
CC(C)(CNC(=O)N1CCN(Cc2ccon2)CC1)c1ccncc1 c1cc(no1)[*:1] CC(C)(CNC(=O)N1CCN(CC1)C[*:1])c1ccncc1
CC(C)(CNC(=O)N1CCN(Cc2ccon2)CC1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N1CCN(CC1)Cc1ccon1)[*:1]
CC(C)(CNC(=O)N1CCN(Cc2ccon2)CC1)c1ccncc1 c1cc(C[*:1])no1 CC(C)(CNC(=O)N1CCN(CC1)[*:1])c1ccncc1
C#CCNCC(=O)N1CCOC(C)(C)C1 C#CCNC[*:1] CC1(C)CN(CCO1)C(=O)[*:1]
C#CCNCC(=O)N1CCOC(C)(C)C1 C#CC[*:1] CC1(C)CN(CCO1)C(=O)CN[*:1]
C#CCNCC(=O)N1CCOC(C)(C)C1 C#CCN[*:1] CC1(C)CN(CCO1)C(=O)C[*:1]
Cc1cc(C)c(O)c(C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c1 CC(C)[*:1] Cc1cc(C)c(O)c(c1)C(=O)Nc1cc(nn1-c1ncccn1)[*:1]
Cc1cc(C)c(O)c(C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c1 c1cnc(nc1)[*:1] Cc1cc(C)c(O)c(c1)C(=O)Nc1cc(nn1[*:1])C(C)C
Clc1ccc(-c2cc(-c3ccccn3)on2)cc1 c1ccc(nc1)[*:1] Clc1ccc(cc1)-c1cc(on1)[*:1]
N#CCCN(C(=O)CSc1cc(C#N)ccn1)c1cccc(Cl)c1 N#CC[*:1] N#Cc1ccnc(c1)SCC(=O)N(C[*:1])c1cccc(Cl)c1
N#CCCN(C(=O)CSc1cc(C#N)ccn1)c1cccc(Cl)c1 N#CCC[*:1] N#Cc1ccnc(c1)SCC(=O)N(c1cccc(Cl)c1)[*:1]
N#CCCN(C(=O)CSc1cc(C#N)ccn1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] N#CCCN(C(=O)CSc1cc(C#N)ccn1)[*:1]
N#CCCN(C(=O)CSc1cc(C#N)ccn1)c1cccc(Cl)c1 N#Cc1ccnc(c1)[*:1] N#CCCN(C(=O)CS[*:1])c1cccc(Cl)c1
CCc1ccc(-c2noc(CNc3ccc(C(=O)N4C[C@H](C)O[C@H](C)C4)cc3)n2)cc1 CCc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)NCc1nc(no1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1NC(=O)c1ccccc1F Cc1cccc(c1)[*:1] CCOc1ccc(cc1NC(=O)c1ccccc1F)S(=O)(=O)N[*:1]
CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1NC(=O)c1ccccc1F Fc1ccccc1[*:1] CCOc1ccc(cc1NC(=O)[*:1])S(=O)(=O)Nc1cccc(C)c1
CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1NC(=O)c1ccccc1F CCO[*:1] Cc1cccc(c1)NS(=O)(=O)c1ccc(c(c1)NC(=O)c1ccccc1F)[*:1]
CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1NC(=O)c1ccccc1F O=C(N[*:1])c1ccccc1F CCOc1ccc(cc1[*:1])S(=O)(=O)Nc1cccc(C)c1
CC(=O)[C@H](C)Cn1cnc2c(C)cccc2c1=O CC(=O)[C@H](C)[*:1] Cc1cccc2c(=O)n(cnc12)C[*:1]
CC(=O)[C@H](C)Cn1cnc2c(C)cccc2c1=O CC(=O)[*:1] Cc1cccc2c(=O)n(cnc12)C[C@@H](C)[*:1]
CC(=O)[C@H](C)Cn1cnc2c(C)cccc2c1=O CC(=O)[C@H](C)C[*:1] Cc1cccc2c(=O)n(cnc12)[*:1]
CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)OCC(=O)N[*:1]
CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)COC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)[C@@H](Sc1ccnc2ccccc12)C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] CC(C)[C@@H](Sc1ccnc2ccccc12)C(=O)N[*:1]
CC(C)[C@@H](Sc1ccnc2ccccc12)C(=O)NCc1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H](Sc1ccnc2ccccc12)C(=O)NC[*:1]
CC(C)[C@@H](Sc1ccnc2ccccc12)C(=O)NCc1cccnc1 CC(C)[*:1] O=C(NCc1cccnc1)[C@H](Sc1ccnc2ccccc12)[*:1]
N#CC1=NN(c2ccc(F)cc2)[C@H]2CCCCCN2C1=O Fc1ccc(cc1)[*:1] N#CC1=NN([C@H]2CCCCCN2C1=O)[*:1]
Cc1noc(CCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1 Cc1noc(CC[*:1])n1 C[C@H](NC(=O)[*:1])c1ccc(cc1)-c1ccccc1
Cc1noc(CCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1 Cc1noc(n1)[*:1] C[C@H](NC(=O)CC[*:1])c1ccc(cc1)-c1ccccc1
Cc1noc(CCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1noc(CCC(=O)N[C@@H](C)c2ccc(cc2)[*:1])n1
Cc1noc(CCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1 Cc1noc(C[*:1])n1 C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccccc1
COc1ccc(NC(=O)COC(=O)c2ccc(C)c(F)c2)cc1OC Cc1ccc(cc1F)[*:1] COc1ccc(cc1OC)NC(=O)COC(=O)[*:1]
O=C1CN(C(=O)c2nn(Cc3ccccc3)c3c2CN(C(=O)[C@H]2CC24CCCCC4)CC3)CCN1 O=C1CN(CCN1)C(=O)[*:1] O=C([C@H]1CC12CCCCC2)N1CCc2c(C1)c(nn2Cc1ccccc1)[*:1]
O=C1CN(C(=O)c2nn(Cc3ccccc3)c3c2CN(C(=O)[C@H]2CC24CCCCC4)CC3)CCN1 c1ccc(cc1)C[*:1] O=C1CN(CCN1)C(=O)c1nn(c2CCN(Cc12)C(=O)[C@H]1CC12CCCCC2)[*:1]
O=C1CN(C(=O)c2nn(Cc3ccccc3)c3c2CN(C(=O)[C@H]2CC24CCCCC4)CC3)CCN1 c1ccc(cc1)[*:1] O=C1CN(CCN1)C(=O)c1nn(C[*:1])c2CCN(Cc12)C(=O)[C@H]1CC12CCCCC2
Cc1csc(=O)n1CC[NH+]1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] Cc1csc(=O)n1CC[NH+]1CCC(CC1)O[*:1]
Cc1csc(=O)n1CC[NH+]1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1csc(=O)n1CC[NH+]1CCC(CC1)OC[*:1]
Cc1csc(=O)n1CC[NH+]1CCC(OCc2ccccc2F)CC1 Cc1csc(=O)n1C[*:1] Fc1ccccc1COC1CC[NH+](CC1)C[*:1]
Cc1csc(=O)n1CC[NH+]1CCC(OCc2ccccc2F)CC1 Cc1csc(=O)n1[*:1] Fc1ccccc1COC1CC[NH+](CC1)CC[*:1]
C=CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CC(N)=O)n(C)c1=O NC(=O)[*:1] C=CCn1c(=O)c2c(nc3N(C[*:1])N=C(C)[C@@H](C)n32)n(C)c1=O
C=CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CC(N)=O)n(C)c1=O C=CC[*:1] CC1=NN(CC(N)=O)c2nc3c(c(=O)n(c(=O)n3C)[*:1])n2[C@@H]1C
C=CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CC(N)=O)n(C)c1=O NC(=O)C[*:1] C=CCn1c(=O)c2c(nc3N(N=C(C)[C@@H](C)n32)[*:1])n(C)c1=O
CCOc1cc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)ccn1 c1ccc(cc1)C[*:1] CCOc1cc(ccn1)C(=O)Nc1cccn(c1=O)[*:1]
CCOc1cc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)ccn1 c1ccc(cc1)[*:1] CCOc1cc(ccn1)C(=O)Nc1cccn(C[*:1])c1=O
CCOc1cc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)ccn1 CCO[*:1] O=C(Nc1cccn(Cc2ccccc2)c1=O)c1ccnc(c1)[*:1]
O=C(/N=C(/NC[C@@H]1CCCO1)Nc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 Fc1cccc(c1)[*:1] O=C(/N=C(/NC[C@@H]1CCCO1)N[*:1])c1ccc(cc1)C(F)(F)F
O=C(/N=C(/NC[C@@H]1CCCO1)Nc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(/N=C(/NC[C@@H]1CCCO1)Nc1cccc(F)c1)c1ccc(cc1)[*:1]
Cc1ccc2c(c1)[C@H](NC(=O)NC[C@@H]1CCCN(c3ncccn3)C1)CO2 c1cnc(nc1)[*:1] Cc1ccc2OC[C@@H](NC(=O)NC[C@@H]3CCCN(C3)[*:1])c2c1
C[NH2+][C@@H](Cc1nc(C)c(C)s1)[C@H]1COc2ccccc2O1 Cc1nc(sc1C)[*:1] C[NH2+][C@@H](C[*:1])[C@H]1COc2ccccc2O1
CC1CC[NH+](CCCCNC(=O)N2CCN(C(=O)C3CCCCC3)CC2)CC1 C1CCC(CC1)[*:1] CC1CC[NH+](CCCCNC(=O)N2CCN(CC2)C(=O)[*:1])CC1
O=C(Nc1cc(Cl)ccc1N1CCOCC1)C1CCN(C(=O)C2CC2)CC1 C1CN(CCO1)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])C1CCN(CC1)C(=O)C1CC1
O=C(Nc1cc(Cl)ccc1N1CCOCC1)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(Nc1cc(Cl)ccc1N1CCOCC1)C1CCN(CC1)C(=O)[*:1]
C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[C@@H](NC(=O)CNC(=O)O[*:1])c1nc(cs1)C(C)(C)C
C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c1nc(cs1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 Fc1ccc(cc1)C[*:1] CN(C(=O)c1ccc(cc1)[C@]1(C)NC(=O)NC1=O)[*:1]
CN(Cc1ccc(F)cc1)C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)[C@]1(C)NC(=O)NC1=O
CC[C@H]1CCC[C@@H]([C@@H](Cc2ccccc2F)C(=O)[O-])C1 O=C([O-])[*:1] CC[C@H]1CCC[C@H](C1)[C@@H](Cc1ccccc1F)[*:1]
O=C(NNc1ncnc2c1cnn2-c1ccccc1)c1cccc(O)c1 Oc1cccc(c1)[*:1] O=C(NNc1ncnc2c1cnn2-c1ccccc1)[*:1]
O=C(NNc1ncnc2c1cnn2-c1ccccc1)c1cccc(O)c1 c1ccc(cc1)[*:1] O=C(NNc1ncnc2c1cnn2[*:1])c1cccc(O)c1
CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 CCO[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)/C(C#N)=C/c1ccc(cc1)[*:1]
C[C@@H]1CN(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)C[C@H]1C O=C([O-])[*:1] C[C@@H]1CN(C[C@H]1C)C(=O)Nc1ccc(O)c(c1)[*:1]
CCOC(=O)c1nc(Nc2ccsc2C(=O)OC)c2c(C)noc2n1 CCOC(=O)[*:1] COC(=O)c1sccc1Nc1nc(nc2onc(C)c12)[*:1]
CCOC(=O)c1nc(Nc2ccsc2C(=O)OC)c2c(C)noc2n1 COC(=O)[*:1] CCOC(=O)c1nc(Nc2ccsc2[*:1])c2c(C)noc2n1
COC(=O)c1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)cc1 COC(=O)c1ccc(cc1)[*:1] O=C1C(=C[*:1])Oc2cc(ccc21)OS(=O)(=O)c1ccc(F)cc1
COC(=O)c1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc(/C=C2\Oc3cc(ccc3C2=O)OS(=O)(=O)[*:1])cc1
COC(=O)c1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)cc1 COC(=O)[*:1] O=C1/C(=C/c2ccc(cc2)[*:1])Oc2cc(ccc21)OS(=O)(=O)c1ccc(F)cc1
CCc1nc(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)s1 c1ccc(cc1)C[*:1] CCc1nc(C)c(s1)C(=O)N[C@H]1CCN(C1=O)[*:1]
CCc1nc(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)s1 c1ccc(cc1)[*:1] CCc1nc(C)c(s1)C(=O)N[C@H]1CCN(C[*:1])C1=O
CCc1nc(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)s1 CCc1nc(C)c(s1)[*:1] O=C1[C@H](CCN1Cc1ccccc1)NC(=O)[*:1]
CCc1ccc(S(=O)(=O)N[C@@H](c2nnc3ccccn23)C(C)C)cc1 CCc1ccc(cc1)[*:1] CC(C)[C@@H](NS(=O)(=O)[*:1])c1nnc2ccccn12
CCc1ccc(S(=O)(=O)N[C@@H](c2nnc3ccccn23)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)S(=O)(=O)N[C@@H](c1nnc2ccccn12)[*:1]
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)c2ccccc21 C=CC[*:1] C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(c2ccccc21)[*:1]
COc1ccc(CN[C@H](C(N)=O)C(C)(C)C)c(Br)c1OC CC(C)(C)[*:1] COc1ccc(CN[C@H](C(N)=O)[*:1])c(Br)c1OC
COc1ccc(CN[C@H](C(N)=O)C(C)(C)C)c(Br)c1OC NC(=O)[*:1] COc1ccc(CN[C@H](C(C)(C)C)[*:1])c(Br)c1OC
CCC(=O)Nc1ccc(NC(=O)N(C)Cc2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)N(C)C[*:1]
CCC(=O)Nc1ccc(NC(=O)N(C)Cc2cnn(C)c2)cc1 CCC(=O)N[*:1] CN(Cc1cnn(C)c1)C(=O)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(NC(=O)N(C)Cc2cnn(C)c2)cc1 Cn1cc(cn1)C[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)N(C)[*:1]
COc1ccc(Cl)c(NNC(=O)NC2CC[NH+](C3CC3)CC2)c1 C1CC1[*:1] COc1ccc(Cl)c(c1)NNC(=O)NC1CC[NH+](CC1)[*:1]
Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 Clc1ccc(cc1)[*:1] c1ccc2c(c1)O[C@@H](c1ccncc1)N1N=C(C[C@@H]21)[*:1]
Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 c1cc(ccn1)[*:1] Clc1ccc(cc1)C1C[C@H]2c3ccccc3O[C@@H](N2N=1)[*:1]
O=C(N[C@@H]1CCCc2ccccc21)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 Fc1ccc(cc1)[*:1] O=C(N[C@@H]1CCCc2ccccc21)c1cccc(c1)Oc1cc(ncn1)[*:1]
C=CCn1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1=O C1CC1[*:1] C=CCn1cccc(C(=O)N(C)[C@@H](C)[*:1])c1=O
C=CCn1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1=O C[C@@H](C1CC1)[*:1] C=CCn1cccc(C(=O)N(C)[*:1])c1=O
C=CCn1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1=O C=CC[*:1] C[C@@H](C1CC1)N(C)C(=O)c1cccn(c1=O)[*:1]
COc1ccc(OC[C@H](O)CN2CCN(C(=O)c3cccs3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1cccs1)N1CCN(CC1)C[C@@H](O)CO[*:1]
COc1ccc(OC[C@H](O)CN2CCN(C(=O)c3cccs3)CC2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)OC[C@H](O)CN1CCN(CC1)C(=O)[*:1]
CCC[C@@]1(C)CCCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 CCC[*:1] C[C@]1(CCCN(C1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[*:1]
CC[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cc(C)ccc1OC Clc1ccc(cn1)[*:1] CC[C@@H]([NH2+]C[*:1])c1cc(C)ccc1OC
Fc1ccccc1-c1noc(Cc2nnc(-c3ccc(Cl)cc3)o2)n1 Clc1ccc(cc1)[*:1] Fc1ccccc1-c1noc(Cc2nnc(o2)[*:1])n1
Fc1ccccc1-c1noc(Cc2nnc(-c3ccc(Cl)cc3)o2)n1 Fc1ccccc1[*:1] Clc1ccc(cc1)-c1nnc(Cc2nc(no2)[*:1])o1
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)N[*:1]
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)NC1CCCCC1 C1CO[C@H](C1)C[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1[*:1])C(=O)NC1CCCCC1
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)[*:1]
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)NC1CCCCC1 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H](Sc1nnc(n1C[C@H]1CCCO1)[*:1])C(=O)NC1CCCCC1
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)NC1CCCCC1 C1CO[C@H](C1)[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[*:1])C(=O)NC1CCCCC1
N#C[C@@H](C(=O)CN1C(=O)COc2cc(Br)ccc21)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@@H](C(=O)CN1C(=O)COc2cc(Br)ccc21)[*:1]
COc1cc(CCNC(=O)[C@H](C)Sc2nncn2C)ccc1C Cn1cnnc1S[*:1] COc1cc(ccc1C)CCNC(=O)[C@H](C)[*:1]
COc1cc(CCNC(=O)[C@H](C)Sc2nncn2C)ccc1C Cn1cnnc1[*:1] COc1cc(ccc1C)CCNC(=O)[C@H](C)S[*:1]
Cc1ccnc(N[C@@H]2CCCCC[C@H]2C(=O)[O-])n1 O=C([O-])[*:1] Cc1ccnc(n1)N[C@@H]1CCCCC[C@@H]1[*:1]
O=C(CN1C(=O)[C@@H](C(=O)N2CCCCC2)Sc2ccccc21)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CN1C(=O)[C@H](Sc2ccccc21)C(=O)N1CCCCC1)N1CCN(CC1)[*:1]
O=C(CN1C(=O)[C@@H](C(=O)N2CCCCC2)Sc2ccccc21)N1CCN(c2ccccc2F)CC1 O=C(N1CCCCC1)[*:1] O=C(CN1C(=O)[C@@H](Sc2ccccc21)[*:1])N1CCN(CC1)c1ccccc1F
O=C(c1cnccn1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O c1cnc(cn1)[*:1] O=C(N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)[*:1]
O=C(c1cnccn1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O O[C@H]1CCCC[C@@H]1[*:1] O=C(c1cnccn1)N1CCCC[C@H]1[*:1]
O=c1c2nnc3ccnn3c2ccn1C1CCCCCC1 C1CCCC(CC1)[*:1] O=c1c2nnc3ccnn3c2ccn1[*:1]
[NH3+][C@@H](C(=O)[O-])c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] [NH3+][C@@H](C(=O)[O-])c1ccc(cc1)[*:1]
[NH3+][C@@H](C(=O)[O-])c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] [NH3+][C@@H](c1ccc(cc1)C(=O)[O-])[*:1]
CCC(C)(C)C(=O)Nc1cc(-c2ncco2)ccc1C CCC(C)(C)[*:1] Cc1ccc(cc1NC(=O)[*:1])-c1ncco1
CCC(C)(C)C(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] CCC(C)(C)C(=O)Nc1cc(ccc1C)[*:1]
Cc1ccc(NC(=O)CCNC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCCC(=O)N[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(Cc2cccs2)CC1 Cc1cc(F)ccc1[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)Cc1cccs1
Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC1)C[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC1)[*:1]
O=C(c1ccc(C/N=c2\c(O)c(O)c2=[N+]2CCCC2)cc1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] Oc1c(O)/c(=N\Cc2ccc(cc2)[*:1])c1=[N+]1CCCC1
CNC(=O)[C@H](C)Sc1nncn1C CNC(=O)[*:1] C[C@H](Sc1nncn1C)[*:1]
O=C(NCc1ccc(-n2cccn2)cc1)N1CCN(Cc2ccccc2)CC1 c1cnn(c1)[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(NCc1ccc(-n2cccn2)cc1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(NCc1ccc(cc1)-n1cccn1)N1CCN(CC1)[*:1]
O=C(NCc1ccc(-n2cccn2)cc1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)-n1cccn1)N1CCN(CC1)C[*:1]
CCCN1C(=O)N=C(N)[C@H]1c1ccc2c(c1)OCCCO2 CCC[*:1] NC1=NC(=O)N([C@@H]1c1ccc2OCCCOc2c1)[*:1]
Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2nncn2C2CC2)CCC3)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1nc2CCC[C@@H]([NH2+]Cc3nncn3[*:1])c2s1
Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2nncn2C2CC2)CCC3)cc1 c1nnc(n1C1CC1)[*:1] Cc1ccc(cc1)-c1nc2CCC[C@@H]([NH2+]C[*:1])c2s1
Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2nncn2C2CC2)CCC3)cc1 Cc1ccc(cc1)[*:1] c1nnc(C[NH2+][C@@H]2CCCc3nc(sc32)[*:1])n1C1CC1
CCCn1nc(-c2ccccc2)c2sc(N3CCCCC3)nc2c1=O CCC[*:1] O=c1c2nc(sc2c(nn1[*:1])-c1ccccc1)N1CCCCC1
CCCn1nc(-c2ccccc2)c2sc(N3CCCCC3)nc2c1=O C1CCN(CC1)[*:1] CCCn1nc(-c2ccccc2)c2sc(nc2c1=O)[*:1]
CCCn1nc(-c2ccccc2)c2sc(N3CCCCC3)nc2c1=O c1ccc(cc1)[*:1] CCCn1nc(c2sc(nc2c1=O)N1CCCCC1)[*:1]
COc1ccc2nc(NC(=O)CSc3nc(C)cc(C)n3)sc2c1 Cc1cc(C)nc(n1)[*:1] COc1ccc2nc(NC(=O)CS[*:1])sc2c1
C=CCCCN(C)C(=O)c1cc(C)c2c(=O)[nH]c([O-])nc2n1 C=CC[*:1] Cc1cc(nc2nc([O-])[nH]c(=O)c12)C(=O)N(C)CC[*:1]
C=CCCCN(C)C(=O)c1cc(C)c2c(=O)[nH]c([O-])nc2n1 C=CCC[*:1] Cc1cc(nc2nc([O-])[nH]c(=O)c12)C(=O)N(C)C[*:1]
C=CCCCN(C)C(=O)c1cc(C)c2c(=O)[nH]c([O-])nc2n1 C=CCCC[*:1] Cc1cc(nc2nc([O-])[nH]c(=O)c12)C(=O)N(C)[*:1]
CCCCC(=O)Nc1ccccc1C(=O)NCCC CCC[*:1] CCCCC(=O)Nc1ccccc1C(=O)N[*:1]
CCCCC(=O)Nc1ccccc1C(=O)NCCC CCCC[*:1] CCCNC(=O)c1ccccc1NC(=O)[*:1]
CCCCC(=O)Nc1ccccc1C(=O)NCCC CCCNC(=O)[*:1] CCCCC(=O)Nc1ccccc1[*:1]
CCCCC(=O)Nc1ccccc1C(=O)NCCC CCC[*:1] CCCNC(=O)c1ccccc1NC(=O)C[*:1]
FC(F)c1[nH]ncc1C[NH2+]C1CC1 FC(F)[*:1] c1n[nH]c(c1C[NH2+]C1CC1)[*:1]
FC(F)c1[nH]ncc1C[NH2+]C1CC1 C1CC1[*:1] FC(F)c1[nH]ncc1C[NH2+][*:1]
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CC2(O)CCCCC2)cc1 OC1(CCCCC1)C[*:1] COc1ccc(cc1)NC(=O)[C@H]1CCCN1C(=O)[*:1]
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CC2(O)CCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)CC1(O)CCCCC1
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CC2(O)CCCCC2)cc1 OC1(CCCCC1)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CCCN1C(=O)C[*:1]
C#CCN1CCN(C(=O)N[C@H](C)c2ncc(CC)s2)CC1 C#CC[*:1] CCc1cnc(s1)[C@@H](C)NC(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)N[C@H](C)c2ncc(CC)s2)CC1 CCc1cnc(s1)[*:1] C#CCN1CCN(CC1)C(=O)N[C@H](C)[*:1]
O=C(c1cccc(Br)n1)N1CC[NH+](C2CCCCC2)CC1 Brc1cccc(n1)[*:1] O=C(N1CC[NH+](CC1)C1CCCCC1)[*:1]
O=C(c1cccc(Br)n1)N1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(c1cccc(Br)n1)N1CC[NH+](CC1)[*:1]
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)c1n[nH]c2ccccc12 FC(F)[*:1] O=C(NC[C@@H](O)c1cccc(c1)O[*:1])c1n[nH]c2ccccc12
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)c1n[nH]c2ccccc12 FC(F)O[*:1] O=C(NC[C@@H](O)c1cccc(c1)[*:1])c1n[nH]c2ccccc12
Cc1cccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)C(=O)N[C@@H]1C(=O)Nc2c(c(C)nn2C)[C@@H]1[*:1]
Cc1cccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)[C@@H]1c2c(C)nn(C)c2NC(=O)[C@H]1NC(=O)[*:1]
CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 CCC[*:1] O=C(Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2[*:1])c1ccccc1
CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 c1ccc(cc1)[*:1] CCCn1c(C[NH+]2CCCCCC2)nc2cc(ccc21)NC(=O)[*:1]
CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 O=C(N[*:1])c1ccccc1 CCCn1c(C[NH+]2CCCCCC2)nc2cc(ccc21)[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H]1CC=CCC1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NNC(=O)[C@@H]1CC=CCC1)[*:1]
NS(=O)(=O)N1CCC(C(=O)NCCNC(=O)c2ccco2)CC1 c1coc(c1)[*:1] NS(=O)(=O)N1CCC(CC1)C(=O)NCCNC(=O)[*:1]
Cc1cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)ccc1Cl OCc1ccc(o1)[*:1] Cc1cc(ccc1Cl)OCC(=O)Nc1ccc(c(C)c1)[*:1]
Cc1cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)ccc1Cl Cc1cc(ccc1Cl)[*:1] Cc1cc(ccc1-c1ccc(CO)o1)NC(=O)CO[*:1]
Cc1cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)ccc1Cl Cc1cc(ccc1Cl)O[*:1] Cc1cc(ccc1-c1ccc(CO)o1)NC(=O)C[*:1]
Cc1c(Cl)cccc1NC(=O)Cn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C Cc1c(Cl)cccc1[*:1] Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CC(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)Cn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)Cn1c(C)c2cnn(c(=O)c2c1C)[*:1]
CN(C)C(=O)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 CN(C)C(=O)CO[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1ccc(Cl)s1
CN(C)C(=O)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 Clc1ccc(s1)[*:1] CN(C)C(=O)COc1cccc(c1)[N-]S(=O)(=O)[*:1]
CN(C)C(=O)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 CN(C)C(=O)[*:1] O=S(=O)([N-]c1cccc(c1)OC[*:1])c1ccc(Cl)s1
CN(C)C(=O)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 CN(C)C(=O)C[*:1] O=S(=O)([N-]c1cccc(c1)O[*:1])c1ccc(Cl)s1
COC(=O)/C=C1\[C@@H]2CC[C@@H](C2)C1(C)C COC(=O)[*:1] CC1(C)C(=C[*:1])[C@@H]2CC[C@H]1C2
CC(C)(C)OC(=O)N1CCC(CNC(=O)NCc2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)NCc1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1CCC(CNC(=O)NCc2cccc(C(F)(F)F)c2)CC1 CC(C)(C)[*:1] O=C(NCc1cccc(c1)C(F)(F)F)NCC1CCN(CC1)C(=O)O[*:1]
CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](O)C2)c1 CC(C)NS(=O)(=O)[*:1] O=C(c1cc(ccc1Cl)[*:1])N1CCC[C@H](O)C1
CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](O)C2)c1 CC(C)[*:1] O=C(c1cc(ccc1Cl)S(=O)(=O)N[*:1])N1CCC[C@H](O)C1
Cc1nc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)no1 Cc1nc(no1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@@H]1[*:1]
Cc1nc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)no1 Cn1cnc(c1)[*:1] Cc1nc(no1)[C@H]1CCCN1S(=O)(=O)[*:1]
CC(C)(C)[C@H]1CCc2nc(N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c2C1 O=[N+]([O-])[*:1] CC(C)(C)[C@H]1CCc2nc(N)c(C#N)c(-c3ccc(cc3)[*:1])c2C1
CC(C)(C)[C@H]1CCc2nc(N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c2C1 CC(C)(C)[*:1] N#Cc1c(N)nc2CC[C@@H](Cc2c1-c1ccc(cc1)[N+](=O)[O-])[*:1]
CCC[NH+](CCc1cnn(C)c1)CC(=O)NC CCC[*:1] CNC(=O)C[NH+](CCc1cnn(C)c1)[*:1]
CCC[NH+](CCc1cnn(C)c1)CC(=O)NC CNC(=O)C[*:1] CCC[NH+](CCc1cnn(C)c1)[*:1]
CCC[NH+](CCc1cnn(C)c1)CC(=O)NC CNC(=O)[*:1] CCC[NH+](CCc1cnn(C)c1)C[*:1]
CC(C)c1ccsc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CC(C)c1ccsc1[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CC(C)c1ccsc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CC(C)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)c1sccc1[*:1]
COc1ccc(C(=O)CCc2nc(Cc3noc(C)n3)no2)cc1F Cc1nc(no1)[*:1] COc1ccc(cc1F)C(=O)CCc1nc(C[*:1])no1
COc1ccc(C(=O)CCc2nc(Cc3noc(C)n3)no2)cc1F Cc1nc(C[*:1])no1 COc1ccc(cc1F)C(=O)CCc1nc(no1)[*:1]
O=C(N[C@@H]1CCCCC[C@H]1C(=O)[O-])c1cc(Cl)ccc1F O=C([O-])[*:1] O=C(N[C@@H]1CCCCC[C@@H]1[*:1])c1cc(Cl)ccc1F
CCn1c(-c2ccccc2F)nc2cc(C(=O)N3CCC[C@@H](CO)C3)cc(NC(C)=O)c21 CC(=O)N[*:1] CCn1c(nc2cc(cc(c21)[*:1])C(=O)N1CCC[C@@H](CO)C1)-c1ccccc1F
CCn1c(-c2ccccc2F)nc2cc(C(=O)N3CCC[C@@H](CO)C3)cc(NC(C)=O)c21 Fc1ccccc1[*:1] CCn1c(nc2cc(cc(NC(C)=O)c21)C(=O)N1CCC[C@@H](CO)C1)[*:1]
Cc1cc([C@H]2CCCCCN2C(=O)c2ccco2)no1 c1coc(c1)[*:1] Cc1cc(no1)[C@H]1CCCCCN1C(=O)[*:1]
Cc1cc([C@H]2CCCCCN2C(=O)c2ccco2)no1 Cc1cc(no1)[*:1] O=C(c1ccco1)N1CCCCC[C@@H]1[*:1]
c1ncc(CN2CCCC[C@H]([NH+]3CCCC3)C2)[nH]1 c1ncc(C[*:1])[nH]1 C1CCN(C[C@H](C1)[NH+]1CCCC1)[*:1]
c1ncc(CN2CCCC[C@H]([NH+]3CCCC3)C2)[nH]1 c1ncc([nH]1)[*:1] C1CCN(C[C@H](C1)[NH+]1CCCC1)C[*:1]
CN(Cc1[nH]c(-c2ccccc2)c[nH+]1)[C@@H]1CCCC[C@@H]1O c1ccc(cc1)[*:1] CN(Cc1[nH]c(c[nH+]1)[*:1])[C@@H]1CCCC[C@@H]1O
CN(Cc1[nH]c(-c2ccccc2)c[nH+]1)[C@@H]1CCCC[C@@H]1O O[C@H]1CCCC[C@H]1[*:1] CN(Cc1[nH]c(c[nH+]1)-c1ccccc1)[*:1]
C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1cccc(N2CCOC2=O)c1 C1CC1[*:1] C[C@H]([NH2+]C[C@H]1CN(CCO1)[*:1])c1cccc(c1)N1CCOC1=O
C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C[C@H]([NH2+]C[C@H]1CN(CCO1)C1CC1)c1cccc(c1)[*:1]
Cc1n[nH]c(-c2ccc(C(=O)Nc3cc(CC4CCCCC4)n[nH]3)cc2)n1 C1CCC(CC1)C[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)Nc1cc(n[nH]1)[*:1]
Cc1n[nH]c(-c2ccc(C(=O)Nc3cc(CC4CCCCC4)n[nH]3)cc2)n1 C1CCC(CC1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)Nc1cc(C[*:1])n[nH]1
Cc1n[nH]c(-c2ccc(C(=O)Nc3cc(CC4CCCCC4)n[nH]3)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(Nc1cc(CC2CCCCC2)n[nH]1)c1ccc(cc1)[*:1]
CCc1ccc(O)c(C(=O)N2CCC[C@H]2C[C@@H](C)O)c1 C[C@@H](O)C[*:1] CCc1ccc(O)c(c1)C(=O)N1CCC[C@@H]1[*:1]
CCc1ccc(O)c(C(=O)N2CCC[C@H]2C[C@@H](C)O)c1 C[C@@H](O)[*:1] CCc1ccc(O)c(c1)C(=O)N1CCC[C@H]1C[*:1]
COc1cc(CNC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)ccn1 CC(C)[*:1] COc1cc(ccn1)CNC(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
COc1cc(CNC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)ccn1 COc1cc(ccn1)[*:1] CC(C)[C@@H](NC(=O)NC[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc(Cl)cc1Cl C1CC1[*:1] C[C@@H](NC(=O)CSc1nnc(n1-c1ccccc1)[*:1])c1ccc(Cl)cc1Cl
C[C@@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)[*:1]
C[C@@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nnc(C2CC2)n1[*:1])c1ccc(Cl)cc1Cl
C[C@@H](c1ccccc1)n1c(=O)c2c3c(sc2n(C)c1=O)CCCC3 C[C@@H](c1ccccc1)[*:1] Cn1c(=O)n(c(=O)c2c3CCCCc3sc21)[*:1]
C[C@@H](c1ccccc1)n1c(=O)c2c3c(sc2n(C)c1=O)CCCC3 c1ccc(cc1)[*:1] C[C@@H](n1c(=O)c2c3CCCCc3sc2n(C)c1=O)[*:1]
Cn1cc(C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)c(n1)[*:1]
COc1cccc(F)c1[C@H](C)[NH2+]C[C@H](C)[S@](C)=O C[S@](=O)[*:1] COc1cccc(F)c1[C@H](C)[NH2+]C[C@H](C)[*:1]
C[C@@H](NC(=O)Nc1c[nH]nc1-c1ccccn1)C(=O)N1CCCC[C@H]1C c1ccc(nc1)[*:1] C[C@@H](NC(=O)Nc1c[nH]nc1[*:1])C(=O)N1CCCC[C@H]1C
CC[C@@](C)(CO)NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@@](C)(CO)NC(=O)Nc1cc(Cl)ccc1OC[*:1]
CC[C@@](C)(CO)NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)CO[*:1] CC[C@@](C)(CO)NC(=O)Nc1cc(Cl)ccc1[*:1]
CC[C@@](C)(CO)NC(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC[C@@](C)(CO)NC(=O)Nc1cc(Cl)ccc1O[*:1]
O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(Cc1csc2nc(cn12)-c1ccc(F)cc1)N[*:1]
O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccc(F)c(F)c1 Fc1ccc(cc1)[*:1] O=C(Cc1csc2nc(cn12)[*:1])Nc1ccc(F)c(F)c1
CCn1nc(C(C)C)cc1C(=O)Nc1cc(C)nn1-c1ccccc1F CC(C)[*:1] CCn1nc(cc1C(=O)Nc1cc(C)nn1-c1ccccc1F)[*:1]
CCn1nc(C(C)C)cc1C(=O)Nc1cc(C)nn1-c1ccccc1F Fc1ccccc1[*:1] CCn1nc(cc1C(=O)Nc1cc(C)nn1[*:1])C(C)C
Cc1ccc(CNC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)Cc1nnn(c1C)[*:1]
Cc1ccc(CNC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1nnc(CC(=O)N[*:1])c1C
Cc1ccc(CNC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nnc(CC(=O)NC[*:1])c1C
Cc1ccc2ccc3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)[nH]c3c2n1 Cc1cccc(c1C)[*:1] Cc1ccc2ccc3cc([nH]c3c2n1)C(=O)N1CCN(CC1)[*:1]
O=C(Nc1ccccc1F)c1c[nH]nc1-c1ccc(Cl)cc1 Fc1ccccc1[*:1] O=C(N[*:1])c1c[nH]nc1-c1ccc(Cl)cc1
O=C(Nc1ccccc1F)c1c[nH]nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1F)c1c[nH]nc1[*:1]
COC[C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1 COC[*:1] C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)[*:1]
CC[NH2+]Cc1cc(F)c(OCc2ccno2)c(F)c1 c1cc(C[*:1])on1 CC[NH2+]Cc1cc(F)c(O[*:1])c(F)c1
CC[NH2+]Cc1cc(F)c(OCc2ccno2)c(F)c1 c1cc(on1)[*:1] CC[NH2+]Cc1cc(F)c(OC[*:1])c(F)c1
CC(C)CCCNC(=O)C(=O)Nc1ccccc1Br CC(C)C[*:1] O=C(NCC[*:1])C(=O)Nc1ccccc1Br
CC(C)CCCNC(=O)C(=O)Nc1ccccc1Br CC(C)[*:1] O=C(NCCC[*:1])C(=O)Nc1ccccc1Br
CC(C)CCCNC(=O)C(=O)Nc1ccccc1Br CC(C)CC[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1Br
CC(C)CCCNC(=O)C(=O)Nc1ccccc1Br CC(C)CCC[*:1] O=C(Nc1ccccc1Br)C(=O)N[*:1]
CCCOC[C@@H]([NH3+])CSc1cccc(Br)c1 CCCOC[*:1] [NH3+][C@@H](CSc1cccc(Br)c1)[*:1]
CCCOC[C@@H]([NH3+])CSc1cccc(Br)c1 CCC[*:1] [NH3+][C@H](CO[*:1])CSc1cccc(Br)c1
CCCOC[C@@H]([NH3+])CSc1cccc(Br)c1 CCCO[*:1] [NH3+][C@@H](CSc1cccc(Br)c1)C[*:1]
COc1ccccc1OCCCn1c(=O)c(C)nc2ccccc21 COc1ccccc1[*:1] Cc1nc2ccccc2n(CCCO[*:1])c1=O
CC[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(CC(C)C)cc1 CC(C)C[*:1] CC[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(cc1)[*:1]
CC[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(CC(C)C)cc1 CC(C)[*:1] CC[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(cc1)C[*:1]
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 C1CC1[*:1] C[C@@H](Sc1nnc(n1Cc1ccccc1)[*:1])C(=O)c1c[nH]c2ccccc12
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 c1ccc(cc1)C[*:1] C[C@@H](Sc1nnc(C2CC2)n1[*:1])C(=O)c1c[nH]c2ccccc12
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1C[*:1])C(=O)c1c[nH]c2ccccc12
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)[*:1]
Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cn1 Cn1cc(cn1)C(=O)C[*:1] CC1(C)C(=O)Nc2ccc(cc21)S(=O)(=O)N1CCC[C@@H]1[*:1]
Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cn1 Cn1cc(cn1)[*:1] CC1(C)C(=O)Nc2ccc(cc21)S(=O)(=O)N1CCC[C@@H]1CC(=O)[*:1]
Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cn1 Cn1cc(cn1)C(=O)[*:1] CC1(C)C(=O)Nc2ccc(cc21)S(=O)(=O)N1CCC[C@@H]1C[*:1]
NC(=O)c1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2c1CCCCC2 c1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)c2ccc(cc2)C(=O)[*:1])sc2CCCCCc21
NC(=O)c1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2c1CCCCC2 O=C(c1ccccc1)[*:1] NC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc2CCCCCc21
NC(=O)c1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2c1CCCCC2 NC(=O)[*:1] O=C(Nc1sc2CCCCCc2c1[*:1])c1ccc(cc1)C(=O)c1ccccc1
Cc1ccc(S(=O)(=O)N2CCN([C@@H]3C[C@H](C)OC3=O)CC2)cc1C Cc1ccc(cc1C)[*:1] C[C@H]1C[C@H](C(=O)O1)N1CCN(CC1)S(=O)(=O)[*:1]
CCOc1ccc(OCC)c(NCc2cc(C#N)cs2)c1 CCO[*:1] CCOc1ccc(c(c1)NCc1cc(C#N)cs1)[*:1]
CCOc1ccc(OCC)c(NCc2cc(C#N)cs2)c1 CCO[*:1] CCOc1ccc(cc1NCc1cc(C#N)cs1)[*:1]
CCOc1ccc(OCC)c(NCc2cc(C#N)cs2)c1 N#Cc1csc(c1)[*:1] CCOc1ccc(OCC)c(c1)NC[*:1]
COc1cccc(/C=N/c2ccc(N(C)C(C)=O)cc2)c1 CC(=O)N(C)[*:1] COc1cccc(/C=N/c2ccc(cc2)[*:1])c1
Cc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)N(C)C c1csc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)[*:1]
Cc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cccs1
Cc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 c1cc(C[*:1])no1 Cc1ccc(c(c1)N1CCN(CC1)S(=O)(=O)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 c1cc(no1)[*:1] Cc1ccc(c(c1)N1CCN(CC1)S(=O)(=O)C[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N1CCN(CC1)S(=O)(=O)Cc1ccon1)[*:1]
CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ncccc4C)CC3)c2c1 Cc1cccnc1C[*:1] CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC3)[*:1])c2c1
CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ncccc4C)CC3)c2c1 Cc1cccnc1[*:1] CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC3)C[*:1])c2c1
NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 NNC(=O)[*:1] O=S(=O)(c1ccc2ccccc2c1)N1CCC[C@H]1[*:1]
CC(C)[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(F)cc1F C1CC1[*:1] CC(C)[C@@H](Sc1nnnn1[*:1])C(=O)Nc1ccc(F)cc1F
CC(C)[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(C)[C@@H](Sc1nnnn1C1CC1)C(=O)N[*:1]
CC(C)[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(F)cc1F C1CC1n1nnnc1[*:1] CC(C)[C@@H](S[*:1])C(=O)Nc1ccc(F)cc1F
CC(C)[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(F)cc1F CC(C)[*:1] O=C(Nc1ccc(F)cc1F)[C@H](Sc1nnnn1C1CC1)[*:1]
CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc(Cl)ccc1S(=O)(=O)CC CCS(=O)(=O)[*:1] CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc(Cl)ccc1[*:1]
CS(=O)(=O)NC[C@@H]1CCCCN1c1nc2ccccc2o1 CS(=O)(=O)N[*:1] c1ccc2oc(nc2c1)N1CCCC[C@H]1C[*:1]
CS(=O)(=O)NC[C@@H]1CCCCN1c1nc2ccccc2o1 CS(=O)(=O)NC[*:1] c1ccc2oc(nc2c1)N1CCCC[C@H]1[*:1]
C#CCNCC(=O)N(Cc1ccccc1OC)C1CC1 C#CCN[*:1] COc1ccccc1CN(C(=O)C[*:1])C1CC1
C#CCNCC(=O)N(Cc1ccccc1OC)C1CC1 C#CC[*:1] COc1ccccc1CN(C(=O)CN[*:1])C1CC1
C#CCNCC(=O)N(Cc1ccccc1OC)C1CC1 C1CC1[*:1] C#CCNCC(=O)N(Cc1ccccc1OC)[*:1]
C#CCNCC(=O)N(Cc1ccccc1OC)C1CC1 C#CCNC[*:1] COc1ccccc1CN(C(=O)[*:1])C1CC1
CC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2ccccc2Br)C1 NC(=O)[*:1] CC[NH2+][C@]1(CCC[C@H](C1)Sc1ccccc1Br)[*:1]
O=C(C[NH+]1CCN(Cc2ccc(Br)s2)CC1)NCc1ccccc1Cl Brc1ccc(C[*:1])s1 O=C(C[NH+]1CCN(CC1)[*:1])NCc1ccccc1Cl
O=C(C[NH+]1CCN(Cc2ccc(Br)s2)CC1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)Cc1ccc(Br)s1)NC[*:1]
O=C(C[NH+]1CCN(Cc2ccc(Br)s2)CC1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(C[NH+]1CCN(CC1)Cc1ccc(Br)s1)N[*:1]
O=C(C[NH+]1CCN(Cc2ccc(Br)s2)CC1)NCc1ccccc1Cl Brc1ccc(s1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])NCc1ccccc1Cl
CC(=O)Nc1cccc(NC(=O)c2cc(Cl)sc2Cl)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(Cl)sc1Cl
CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1Cl CCOC(=O)[*:1] COc1ccc(cc1OC)C1=CC(=O)[C@@H]([C@H](C1)c1ccccc1Cl)[*:1]
CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] CCOC(=O)[C@H]1C(=O)C=C(C[C@H]1[*:1])c1ccc(OC)c(c1)OC
c1cc(C[NH+]2CCC(OC3CCCC3)CC2)cc(-n2cccn2)c1 c1cnn(c1)[*:1] c1cc(cc(c1)[*:1])C[NH+]1CCC(CC1)OC1CCCC1
c1cc(C[NH+]2CCC(OC3CCCC3)CC2)cc(-n2cccn2)c1 C1CCC(C1)[*:1] c1cc(cc(c1)-n1cccn1)C[NH+]1CCC(CC1)O[*:1]
c1cc(C[NH+]2CCC(OC3CCCC3)CC2)cc(-n2cccn2)c1 C1CCC(C1)O[*:1] c1cc(cc(c1)-n1cccn1)C[NH+]1CCC(CC1)[*:1]
O=C(NCc1ccc2c3c(cccc13)C(=O)N2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1Nc2ccc(CNC(=O)[*:1])c3cccc1c23
COc1ccnc(N2CCc3c(cccc3NC(C)=O)C2)n1 CC(=O)N[*:1] COc1ccnc(n1)N1CCc2c(cccc2[*:1])C1
Cc1cccc([C@@H]2CN(Cc3ccc(N4CCOCC4)[nH+]c3)C[C@]23CCCCC(=O)N3)n1 C1CN(CCO1)[*:1] Cc1cccc(n1)[C@@H]1CN(Cc2ccc([nH+]c2)[*:1])C[C@]12CCCCC(=O)N2
Cc1cccc([C@@H]2CN(Cc3ccc(N4CCOCC4)[nH+]c3)C[C@]23CCCCC(=O)N3)n1 Cc1cccc(n1)[*:1] O=C1CCCC[C@]2(CN(Cc3ccc([nH+]c3)N3CCOCC3)C[C@H]2[*:1])N1
COc1cccc(OCCNC(=O)Cc2c(C)nc(C)[nH]c2=O)c1 COc1cccc(c1)[*:1] Cc1nc(C)c(CC(=O)NCCO[*:1])c(=O)[nH]1
COc1ccccc1N1CC[C@H](N[C@H](C)c2cncc(F)c2)C1=O COc1ccccc1[*:1] C[C@@H](N[C@H]1CCN(C1=O)[*:1])c1cncc(F)c1
COc1ccccc1N1CC[C@H](N[C@H](C)c2cncc(F)c2)C1=O Fc1cncc(c1)[*:1] COc1ccccc1N1CC[C@H](N[C@H](C)[*:1])C1=O
Cc1ccc(OCC(=O)Nc2cc(C(C)(C)C)cc(Cl)c2O)c(-n2cnnc2)c1 CC(C)(C)[*:1] Cc1ccc(OCC(=O)Nc2cc(cc(Cl)c2O)[*:1])c(c1)-n1cnnc1
Cc1ccc(OCC(=O)Nc2cc(C(C)(C)C)cc(Cl)c2O)c(-n2cnnc2)c1 c1nncn1[*:1] Cc1ccc(OCC(=O)Nc2cc(cc(Cl)c2O)C(C)(C)C)c(c1)[*:1]
COC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(C(C)C)c2)C1=O COC[*:1] CC(C)c1cccc(c1)NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
COC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(C(C)C)c2)C1=O CC(C)[*:1] COC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(c2)[*:1])C1=O
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1c(O)cc(F)cc1F N#Cc1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)c1c(O)cc(F)cc1F
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1c(O)cc(F)cc1F CC(C)[*:1] N#Cc1ccc(cc1)CN(C(=O)c1c(O)cc(F)cc1F)[*:1]
CC(C)c1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c2ccccc2n1 O=C(NC1CC1)[*:1] CC(C)c1cc(C(=O)N2CCN(CC2)C[*:1])c2ccccc2n1
CC(C)c1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c2ccccc2n1 CC(C)[*:1] O=C(CN1CCN(CC1)C(=O)c1cc(nc2ccccc12)[*:1])NC1CC1
CC(C)c1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c2ccccc2n1 C1CC1[*:1] CC(C)c1cc(C(=O)N2CCN(CC2)CC(=O)N[*:1])c2ccccc2n1
CC(C)c1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c2ccccc2n1 O=C(C[*:1])NC1CC1 CC(C)c1cc(C(=O)N2CCN(CC2)[*:1])c2ccccc2n1
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)N1CC(=O)Nc2ccccc21 C1CO[C@H](C1)C[*:1] C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1[*:1])C(=O)N1CC(=O)Nc2ccccc21
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)N1CC(=O)Nc2ccccc21 Clc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1C[C@H]1CCCO1)[*:1])C(=O)N1CC(=O)Nc2ccccc21
[NH3+][C@@H]1CCCN(c2cc(-c3nc(-c4cccnc4)no3)ccn2)C1 c1cncc(c1)[*:1] [NH3+][C@@H]1CCCN(C1)c1cc(ccn1)-c1nc(no1)[*:1]
C[C@@H]1C[NH+]=C(N2CCN(Cc3ccc([S@@](C)=O)cc3)CC2)S1 C[S@@](=O)[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
COc1ccc(Cl)cc1NC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)N1C[C@H](C)O[C@H](C1)[*:1]
CN(/C=C\C(=O)[O-])C[C@@H]1CCCO1 O=C([O-])[*:1] CN(C=C[*:1])C[C@@H]1CCCO1
CCOC(=O)c1c[nH]nc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 CCOC(=O)[*:1] O=C(Nc1n[nH]cc1[*:1])c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CCOC(=O)c1c[nH]nc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] CCOC(=O)c1c[nH]nc1NC(=O)c1cc(cc(c1)[*:1])C(F)(F)F
CN(Cc1nccn1Cc1ccccc1)C(=O)N[C@H]1CCCC1(C)C c1ccc(cc1)[*:1] CN(Cc1nccn1C[*:1])C(=O)N[C@H]1CCCC1(C)C
CN(Cc1nccn1Cc1ccccc1)C(=O)N[C@H]1CCCC1(C)C c1ccc(cc1)C[*:1] CN(Cc1nccn1[*:1])C(=O)N[C@H]1CCCC1(C)C
COC(=O)[C@@H](NC(=O)c1cccn1C)c1ccc(Cl)c(F)c1 Cn1cccc1[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@@H](NC(=O)c1cccn1C)c1ccc(Cl)c(F)c1 COC(=O)[*:1] Cn1cccc1C(=O)N[C@@H](c1ccc(Cl)c(F)c1)[*:1]
O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1cccc(c1)-c1cn2ccccc2n1)[*:1]
CCS[C@H]1CC[C@@H](Nc2ccc(Br)cn2)C1 CCS[*:1] Brc1ccc(nc1)N[C@@H]1CC[C@@H](C1)[*:1]
CCS(=O)(=O)[C@H]1CSCCN1c1cncc(C[NH2+]C)n1 CCS(=O)(=O)[*:1] C[NH2+]Cc1cncc(n1)N1CCSC[C@@H]1[*:1]
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2cccc(C#N)c2)c1 CO[C@@H](C)C(=O)N[*:1] N#Cc1cccc(c1)NC(=O)Nc1cccc(c1)[*:1]
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] CO[C@@H](C)C(=O)Nc1cccc(c1)NC(=O)N[*:1]
CC(C)Cc1ccc([C@@H](Cl)C#N)cc1 N#C[C@H](Cl)[*:1] CC(C)Cc1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H](Cl)C#N)cc1 CC(C)C[*:1] N#C[C@H](Cl)c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H](Cl)C#N)cc1 CC(C)[*:1] N#C[C@H](Cl)c1ccc(cc1)C[*:1]
CCOC(=O)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 CCOC(=O)C[*:1] Cc1ccc(cc1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH+](CC1)[*:1]
CCOC(=O)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 Cc1ccc(cc1)C[*:1] CCOC(=O)C[NH+]1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
CCOC(=O)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 CCOC(=O)[*:1] Cc1ccc(cc1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH+](CC1)C[*:1]
CCOC(=O)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCOC(=O)C[NH+]1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
CC[C@@H]1CC(=O)N([C@H](C[NH3+])C(F)(F)F)C1 FC(F)(F)[*:1] CC[C@@H]1CC(=O)N(C1)[C@H](C[NH3+])[*:1]
O=C(NCc1cccnc1OCC(F)(F)F)c1ccc2[nH]cnc2c1 FC(F)(F)CO[*:1] O=C(NCc1cccnc1[*:1])c1ccc2[nH]cnc2c1
O=C(NCc1cccnc1OCC(F)(F)F)c1ccc2[nH]cnc2c1 FC(F)(F)[*:1] O=C(NCc1cccnc1OC[*:1])c1ccc2[nH]cnc2c1
O=C(NCc1cccnc1OCC(F)(F)F)c1ccc2[nH]cnc2c1 FC(F)(F)C[*:1] O=C(NCc1cccnc1O[*:1])c1ccc2[nH]cnc2c1
CC(=O)c1cc(F)ccc1OCc1cc(-c2ccccc2)no1 CC(=O)[*:1] Fc1ccc(OCc2cc(no2)-c2ccccc2)c(c1)[*:1]
CC(=O)c1cc(F)ccc1OCc1cc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CC(=O)c1cc(F)ccc1OCc1cc(no1)[*:1]
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NC[C@H](C)C#N)c2)n1 Cc1coc(n1)[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@H](C)C#N)[*:1]
CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)c(C#N)cc2c1 O=[N+]([O-])[*:1] CCOc1ccc2nc(SCC(=O)Nc3ccc(cc3)[*:1])c(C#N)cc2c1
CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)c(C#N)cc2c1 CCO[*:1] N#Cc1cc2cc(ccc2nc1SCC(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1]
CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)c(C#N)cc2c1 O=[N+]([O-])c1ccc(cc1)[*:1] CCOc1ccc2nc(SCC(=O)N[*:1])c(C#N)cc2c1
O=C(CN1C(=O)CNC1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CN1C(=O)CNC1=O)N1CCCC(C1)(c1ccccc1)[*:1]
O=C(CN1C(=O)CNC1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 O=C1CNC(=O)N1C[*:1] O=C(N1CCCC(C1)(c1ccccc1)c1ccccc1)[*:1]
O=C(CN1C(=O)CNC1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 O=C1CNC(=O)N1[*:1] O=C(C[*:1])N1CCCC(C1)(c1ccccc1)c1ccccc1
Cc1ccc(Cl)c(NC(=O)N(C)CCCc2nc3ccccc3[nH]2)c1 Cc1ccc(Cl)c(c1)[*:1] CN(CCCc1nc2ccccc2[nH]1)C(=O)N[*:1]
O=C(CCN1C(=O)CC2(CCCC2)C1=O)N1CCn2c(nnc2C(F)(F)F)C1 FC(F)(F)[*:1] O=C(CCN1C(=O)CC2(CCCC2)C1=O)N1CCn2c(C1)nnc2[*:1]
CNC(=O)c1ccccc1NC(=O)c1cccc(S(C)(=O)=O)c1 CNC(=O)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1ccccc1[*:1]
CNC(=O)c1ccccc1NC(=O)c1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CNC(=O)c1ccccc1NC(=O)c1cccc(c1)[*:1]
Clc1ncccc1CSCc1ncc(-c2cccs2)o1 c1csc(c1)[*:1] Clc1ncccc1CSCc1ncc(o1)[*:1]
CS(=O)(=O)c1ccc(CNC(=O)C2(c3ccc(Br)cc3)CCC2)cc1 CS(=O)(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])C1(CCC1)c1ccc(Br)cc1
CS(=O)(=O)c1ccc(CNC(=O)C2(c3ccc(Br)cc3)CCC2)cc1 Brc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)CNC(=O)C1(CCC1)[*:1]
CCO[C@@H](C)C(=O)OCc1cnc(-c2cccs2)o1 CCO[*:1] C[C@@H](C(=O)OCc1cnc(o1)-c1cccs1)[*:1]
CCO[C@@H](C)C(=O)OCc1cnc(-c2cccs2)o1 c1csc(c1)[*:1] CCO[C@@H](C)C(=O)OCc1cnc(o1)[*:1]
CCO[C@@H](C)C(=O)OCc1cnc(-c2cccs2)o1 CCO[C@@H](C)[*:1] O=C(OCc1cnc(o1)-c1cccs1)[*:1]
C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ncn(C)n1 Cn1cnc(n1)[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[*:1]
CC1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 O=[N+]([O-])[*:1] CC1CCC(CC1)NC(=O)C1CCN(CC1)c1ccccc1[*:1]
CC1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 CC1CCC(CC1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccccc1[N+](=O)[O-]
CSCC[C@H](NC(=O)c1nc(C(C)C)n[nH]1)C(=O)[O-] O=C([O-])[*:1] CSCC[C@H](NC(=O)c1nc(n[nH]1)C(C)C)[*:1]
CSCC[C@H](NC(=O)c1nc(C(C)C)n[nH]1)C(=O)[O-] CSC[*:1] CC(C)c1n[nH]c(n1)C(=O)N[C@@H](C[*:1])C(=O)[O-]
CSCC[C@H](NC(=O)c1nc(C(C)C)n[nH]1)C(=O)[O-] CC(C)[*:1] CSCC[C@H](NC(=O)c1nc(n[nH]1)[*:1])C(=O)[O-]
CSCC[C@H](NC(=O)c1nc(C(C)C)n[nH]1)C(=O)[O-] CSCC[*:1] CC(C)c1n[nH]c(n1)C(=O)N[C@H](C(=O)[O-])[*:1]
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)CC1CCCC1 C1CCC(C1)C[*:1] Cc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N(C)C(C)C
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)CC1CCCC1 C1CCC(C1)[*:1] Cc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N(C)C(C)C
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)CC1CCCC1 CC(C)[*:1] Cc1ccc(cc1NC(=O)CC1CCCC1)S(=O)(=O)N(C)[*:1]
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)CC1CCCC1 CC(C)N(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)CC1CCCC1)[*:1]
COc1cccc2c(C)cc(S[C@@H](C)C(=O)Nc3ccc(O)cc3)nc12 Oc1ccc(cc1)[*:1] COc1cccc2c(C)cc(nc12)S[C@@H](C)C(=O)N[*:1]
CC(=O)Nc1nc(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)cs1 c1ccc(cc1)[*:1] CC(=O)Nc1nc(cs1)C(=O)N[C@H](C)c1ccc(cc1)O[*:1]
CC(=O)Nc1nc(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)cs1 c1ccc(cc1)O[*:1] CC(=O)Nc1nc(cs1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CC(=O)Nc1nc(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)cs1 CC(=O)N[*:1] C[C@@H](NC(=O)c1csc(n1)[*:1])c1ccc(cc1)Oc1ccccc1
CC(=O)Nc1nc(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)cs1 CC(=O)Nc1nc(cs1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)Oc1ccccc1
CC(C)CCOCC[C@@H]1CCC[C@@]1([NH3+])C(=O)[O-] O=C([O-])[*:1] CC(C)CCOCC[C@@H]1CCC[C@]1([NH3+])[*:1]
CC(C)CCOCC[C@@H]1CCC[C@@]1([NH3+])C(=O)[O-] CC(C)[*:1] [NH3+][C@]1(CCC[C@H]1CCOCC[*:1])C(=O)[O-]
CC(C)CCOCC[C@@H]1CCC[C@@]1([NH3+])C(=O)[O-] CC(C)CC[*:1] [NH3+][C@]1(CCC[C@H]1CCO[*:1])C(=O)[O-]
CC(C)CCOCC[C@@H]1CCC[C@@]1([NH3+])C(=O)[O-] CC(C)C[*:1] [NH3+][C@]1(CCC[C@H]1CCOC[*:1])C(=O)[O-]
CC(=O)Nc1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 CC(=O)N[*:1] C[C@H](NC(=O)COc1ccc(cc1)[*:1])c1ccc(Cl)cc1
CC(=O)Nc1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)OCC(=O)N[C@@H](C)[*:1]
C=CCOc1ccc(C[NH+]2CCC(C(=O)NN)CC2)cc1OC NNC(=O)[*:1] C=CCOc1ccc(cc1OC)C[NH+]1CCC(CC1)[*:1]
C=CCOc1ccc(C[NH+]2CCC(C(=O)NN)CC2)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])C[NH+]1CCC(CC1)C(=O)NN
C=CCOc1ccc(C[NH+]2CCC(C(=O)NN)CC2)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])C[NH+]1CCC(CC1)C(=O)NN
O=C(/C=C/c1ccnc(Cl)c1)N1CCC[C@H](c2nccs2)C1 c1csc(n1)[*:1] O=C(/C=C/c1ccnc(Cl)c1)N1CCC[C@H](C1)[*:1]
O=C(/C=C/c1ccnc(Cl)c1)N1CCC[C@H](c2nccs2)C1 Clc1cc(ccn1)[*:1] O=C(C=C[*:1])N1CCC[C@@H](C1)c1nccs1
COc1ccc(CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1F COc1ccc(cc1F)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1cccc2ccccc12
CCOc1cccc([C@]2(O)CC[C@H](C)[C@H](C)C2)c1 CCO[*:1] C[C@H]1CC[C@](O)(C[C@H]1C)c1cccc(c1)[*:1]
Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1C c1coc(c1)[*:1] Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NC[*:1])c1C
Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1C O=C(NCc1ccco1)[*:1] Cc1cccc(OCC(=O)Nc2ccccc2[*:1])c1C
Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1C Cc1cccc(c1C)[*:1] O=C(CO[*:1])Nc1ccccc1C(=O)NCc1ccco1
Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1C Cc1cccc(O[*:1])c1C O=C(C[*:1])Nc1ccccc1C(=O)NCc1ccco1
Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1C c1coc(c1)C[*:1] Cc1cccc(OCC(=O)Nc2ccccc2C(=O)N[*:1])c1C
COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1 COc1ccc(cc1)[*:1] c1[nH]nc(c1C[NH2+][C@@H]1CCOC2(CCOCC2)C1)[*:1]
COCCS[C@@H]1CCCN(Cc2ccccc2)C1=O COCC[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)S[*:1]
COCCS[C@@H]1CCCN(Cc2ccccc2)C1=O COCCS[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)[*:1]
COCCS[C@@H]1CCCN(Cc2ccccc2)C1=O COC[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)SC[*:1]
COCCS[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] COCCS[C@@H]1CCCN(C[*:1])C1=O
Cc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CCc2sccc2[C@H]1[*:1]
Cc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(N1CCc2sccc2[C@@H]1c1ccccc1)[*:1]
O=C(COC1CCCCC1)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(COC1CCCCC1)NNC(=O)C[*:1]
O=C(COC1CCCCC1)NNC(=O)Cc1ccc(Cl)cc1 C1CCC(CC1)O[*:1] O=C(Cc1ccc(Cl)cc1)NNC(=O)C[*:1]
O=C(COC1CCCCC1)NNC(=O)Cc1ccc(Cl)cc1 C1CCC(CC1)[*:1] O=C(CO[*:1])NNC(=O)Cc1ccc(Cl)cc1
CC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 Cc1cnc(cn1)[*:1] CC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
CC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 Cc1cnc(cn1)C[*:1] CC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(C2)[*:1])CC1
C[C@@H]1CN(C(=O)Nc2ccc(COC(C)(C)C)cc2)CCO1 CC(C)(C)[*:1] C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)CO[*:1]
C[C@@H]1CN(C(=O)Nc2ccc(COC(C)(C)C)cc2)CCO1 CC(C)(C)O[*:1] C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)C[*:1]
C[C@@H]1CN(C(=O)Nc2ccc(COC(C)(C)C)cc2)CCO1 CC(C)(C)OC[*:1] C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)[*:1]
Cc1c(C(=O)Nc2cccc(S(N)(=O)=O)c2)oc2ccccc12 NS(=O)(=O)[*:1] Cc1c(oc2ccccc12)C(=O)Nc1cccc(c1)[*:1]
COC(=O)C[C@@H](C)NC(=O)C(F)(F)c1ccccc1 COC(=O)C[*:1] C[C@@H](NC(=O)C(F)(F)c1ccccc1)[*:1]
COC(=O)C[C@@H](C)NC(=O)C(F)(F)c1ccccc1 COC(=O)[*:1] C[C@H](C[*:1])NC(=O)C(F)(F)c1ccccc1
COC(=O)C[C@@H](C)NC(=O)C(F)(F)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C[C@@H](C)NC(=O)C(F)(F)[*:1]
CCC(NC(=O)Nc1cccc(C)c1)(C(F)(F)F)C(F)(F)F Cc1cccc(c1)[*:1] CCC(NC(=O)N[*:1])(C(F)(F)F)C(F)(F)F
CCC(NC(=O)Nc1cccc(C)c1)(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] CCC(NC(=O)Nc1cccc(C)c1)(C(F)(F)F)[*:1]
COc1cc(C=O)c([N+](=O)[O-])cc1OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COc1cc(C=O)c(cc1OC[*:1])[N+](=O)[O-]
COc1cc(C=O)c([N+](=O)[O-])cc1OC[C@H]1CCCO1 O=[N+]([O-])[*:1] COc1cc(C=O)c(cc1OC[C@H]1CCCO1)[*:1]
COc1cc(C=O)c([N+](=O)[O-])cc1OC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] COc1cc(C=O)c(cc1O[*:1])[N+](=O)[O-]
Cc1ccc(-c2n[nH]cc2CN(C)CC(C)(C)S(C)(=O)=O)o1 Cc1ccc(o1)[*:1] CN(Cc1c[nH]nc1[*:1])CC(C)(C)S(C)(=O)=O
Cc1ccc(-c2n[nH]cc2CN(C)CC(C)(C)S(C)(=O)=O)o1 CS(=O)(=O)[*:1] Cc1ccc(o1)-c1n[nH]cc1CN(C)CC(C)(C)[*:1]
Cc1ccc(-c2n[nH]cc2CN(C)CC(C)(C)S(C)(=O)=O)o1 CC(C)(S(C)(=O)=O)[*:1] Cc1ccc(o1)-c1n[nH]cc1CN(C)C[*:1]
C[C@@](N)(C(=O)N1CCC[C@@H]1c1cccs1)C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(C(=O)N1CCC[C@@H]1c1cccs1)[*:1]
C[C@@](N)(C(=O)N1CCC[C@@H]1c1cccs1)C(F)(F)F c1csc(c1)[*:1] C[C@@](N)(C(=O)N1CCC[C@H]1[*:1])C(F)(F)F
COc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c(OC)c1 Clc1ccc(cc1)C[*:1] COc1ccc(c(c1)OC)S(=O)(=O)Nc1cnn(c1)[*:1]
COc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c(OC)c1 Clc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)S(=O)(=O)Nc1cnn(c1)C[*:1]
CCCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(OC)cc3)nc12 CCCCNC(=O)[*:1] COc1ccc(cc1)-c1cc(C(F)F)n2ncc(c2n1)[*:1]
CCCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(OC)cc3)nc12 CCC[*:1] COc1ccc(cc1)-c1cc(C(F)F)n2ncc(C(=O)NC[*:1])c2n1
CCCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(OC)cc3)nc12 FC(F)[*:1] CCCCNC(=O)c1cnn2c(cc(nc12)-c1ccc(cc1)OC)[*:1]
CCCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(OC)cc3)nc12 COc1ccc(cc1)[*:1] CCCCNC(=O)c1cnn2c(cc(nc12)[*:1])C(F)F
CCCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(OC)cc3)nc12 CCCC[*:1] COc1ccc(cc1)-c1cc(C(F)F)n2ncc(C(=O)N[*:1])c2n1
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccon2)c1 c1cc(no1)[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)[*:1]
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccon2)c1 CC[C@@H](C#N)O[*:1] O=C(NCc1cccc(c1)[*:1])c1ccon1
COC(=O)c1sc(NC(=O)c2cc(F)c(C)cc2F)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)c1cc(F)c(C)cc1F
COC(=O)c1sc(NC(=O)c2cc(F)c(C)cc2F)nc1C1CC1 COC(=O)[*:1] Cc1cc(F)c(cc1F)C(=O)Nc1nc(c(s1)[*:1])C1CC1
COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(Cl)cc2C)C(C)C)c1 Cc1cc(Cl)ccc1[*:1] COc1cc(cc(c1)C(=O)N[C@H](C(=O)N[*:1])C(C)C)OC
COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(Cl)cc2C)C(C)C)c1 CC(C)[*:1] COc1cc(cc(c1)C(=O)N[C@H](C(=O)Nc1ccc(Cl)cc1C)[*:1])OC
CC(C)c1nc(C[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cs1 CC(C)c1nc(cs1)[*:1] C[C@H]1CN(Cc2ccc(cc2)C[NH2+]C[*:1])C[C@H](C)O1
CC(C)c1nc(C[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cs1 CC(C)[*:1] C[C@H]1CN(Cc2ccc(cc2)C[NH2+]Cc2csc(n2)[*:1])C[C@H](C)O1
CC(C)c1nc(C[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cs1 C[C@H]1CN(C[C@H](C)O1)[*:1] CC(C)c1nc(cs1)C[NH2+]Cc1ccc(cc1)C[*:1]
O=C(Cc1csc(-c2cccs2)n1)N1CCc2ccc(O)cc2C1 c1csc(c1)[*:1] O=C(Cc1csc(n1)[*:1])N1CCc2ccc(O)cc2C1
C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccccc1C#N N#Cc1ccccc1[*:1] C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)N[*:1]
COc1ccccc1[C@@H]1[NH+]=N/C(=N\C(=O)c2ccco2)S1 c1coc(c1)[*:1] COc1ccccc1[C@@H]1[NH+]=N/C(=N\C(=O)[*:1])S1
CCOC(=O)C1(C[C@H]2CC(c3ccccc3C)=NO2)CCN(C(C)=O)CC1 Cc1ccccc1[*:1] CCOC(=O)C1(CCN(CC1)C(C)=O)C[C@H]1CC(=NO1)[*:1]
CCOC(=O)C1(C[C@H]2CC(c3ccccc3C)=NO2)CCN(C(C)=O)CC1 CCOC(=O)[*:1] CC(=O)N1CCC(CC1)(C[C@H]1CC(=NO1)c1ccccc1C)[*:1]
CC(C)N(C(=O)Cn1cc(Cl)cn1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)Cn1cc(Cl)cn1)[*:1]
CC(C)N(C(=O)Cn1cc(Cl)cn1)c1ccccc1 CC(C)[*:1] O=C(Cn1cc(Cl)cn1)N(c1ccccc1)[*:1]
CC(C)N(C(=O)Cn1cc(Cl)cn1)c1ccccc1 Clc1cnn(c1)[*:1] CC(C)N(C(=O)C[*:1])c1ccccc1
Cc1nccn1-c1cncc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] Cc1nccn1-c1cncc(n1)N1CCC(CC1)[C@@H](O)[*:1]
Cc1nccn1-c1cncc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1 O[C@@H](c1ccc(F)cc1)[*:1] Cc1nccn1-c1cncc(n1)N1CCC(CC1)[*:1]
Cc1nccn1-c1cncc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1 Cc1nccn1[*:1] O[C@@H](c1ccc(F)cc1)C1CCN(CC1)c1cncc(n1)[*:1]
Cc1sc2nc(/C(C#N)=C/c3cccc(O)c3)[nH]c(=O)c2c1C Oc1cccc(c1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)C(C#N)=C[*:1]
Cc1cc(C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)on1 Fc1cccc(c1)[*:1] Cc1cc(on1)C(=O)N[C@H](c1ccccc1)[*:1]
Cc1cc(C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)on1 c1ccc(cc1)[*:1] Cc1cc(on1)C(=O)N[C@H](c1cccc(F)c1)[*:1]
Cc1cc(C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)on1 Cc1cc(on1)[*:1] O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[*:1]
CCN[C@@H](c1cncnc1)[C@](C)(CC)[NH+](C)C CCN[*:1] CC[C@@](C)([C@H](c1cncnc1)[*:1])[NH+](C)C
C[NH+]1CCN(CCNC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CCNC(=O)c2cnn(c2-n2cccc2)[*:1])CC1
C[NH+]1CCN(CCNC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 c1ccn(c1)[*:1] C[NH+]1CCN(CCNC(=O)c2cnn(-c3ccccc3)c2[*:1])CC1
Cc1ccc(N[C@H]2CCO[C@H](C(C)C)C2)c(C)[nH+]1 CC(C)[*:1] Cc1ccc(N[C@H]2CCO[C@H](C2)[*:1])c(C)[nH+]1
Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCCC[C@H]3C)nnc12 Cc1ccccc1[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc2n(c(=O)c3ccccc3n12)[*:1]
C[C@H](NC(=O)c1ccoc1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H](NC(=O)c1ccoc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1ccoc1)c1ccc(OC(F)F)cc1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)OC(F)F
C[C@H](NC(=O)c1ccoc1)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H](NC(=O)c1ccoc1)c1ccc(cc1)O[*:1]
CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 CS(=O)(=O)NC[*:1] O=C(c1nc[nH]n1)N1CCC[C@@H](C1)[*:1]
CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 CS(=O)(=O)N[*:1] O=C(c1nc[nH]n1)N1CCC[C@@H](C1)C[*:1]
C[C@H]([NH2+]C1(CNC(=O)c2ccc(NC=O)cc2)CCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]C1(CCCC1)CNC(=O)c1ccc(cc1)NC=O)[*:1]
C[C@H]([NH2+]C1(CNC(=O)c2ccc(NC=O)cc2)CCCC1)c1ccccc1 O=CNc1ccc(cc1)[*:1] C[C@H]([NH2+]C1(CCCC1)CNC(=O)[*:1])c1ccccc1
C[C@H]([NH2+]C1(CNC(=O)c2ccc(NC=O)cc2)CCCC1)c1ccccc1 O=CN[*:1] C[C@H]([NH2+]C1(CCCC1)CNC(=O)c1ccc(cc1)[*:1])c1ccccc1
COC[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1 COC[*:1] C[C@@H](Nc1ccc(cc1)S(=O)(=O)C(F)F)[*:1]
COC[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1 COC[C@@H](C)N[*:1] O=S(=O)(c1ccc(cc1)[*:1])C(F)F
COC[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1 COC[C@@H](C)[*:1] O=S(=O)(c1ccc(cc1)N[*:1])C(F)F
COC[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] COC[C@@H](C)Nc1ccc(cc1)S(=O)(=O)[*:1]
COC[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] COC[C@@H](C)Nc1ccc(cc1)[*:1]
C[C@H](SCCN1C(=O)NC(C)(C)C1=O)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](SCCN1C(=O)NC(C)(C)C1=O)C(=O)N[*:1]
NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccsc3)n2)cc1 c1cc(cs1)[*:1] NC(=O)c1ccc(cc1)NC(=O)Cc1csc(n1)NC(=O)[*:1]
NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccsc3)n2)cc1 O=C(N[*:1])c1ccsc1 NC(=O)c1ccc(cc1)NC(=O)Cc1csc(n1)[*:1]
NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccsc3)n2)cc1 NC(=O)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccsc1)Nc1ccc(cc1)[*:1]
C[C@@H](NC(=O)C1C(C)(C)C1(C)C)[C@@H](C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)C1C(C)(C)C1(C)C)[C@@H](C)[*:1]
Cc1nn(C)c2sc(C(=O)N[C@H](C)c3ccc(OC(C)C)cc3)cc12 CC(C)O[*:1] Cc1nn(C)c2sc(cc12)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1nn(C)c2sc(C(=O)N[C@H](C)c3ccc(OC(C)C)cc3)cc12 CC(C)[*:1] Cc1nn(C)c2sc(cc12)C(=O)N[C@H](C)c1ccc(cc1)O[*:1]
CN(C)C(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2Cl)c1 Clc1ccccc1[*:1] CN(C)C(=O)c1ccc(F)c(c1)[N-]S(=O)(=O)[*:1]
CN(C)C(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2Cl)c1 CN(C)C(=O)[*:1] O=S(=O)([N-]c1cc(ccc1F)[*:1])c1ccccc1Cl
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)NC(=O)c2ccccc2)c1C Cc1cccc(c1C)[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=S)N[*:1]
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)NC(=O)c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=S)NNC(=O)[C@@H](C)NC(=O)[*:1])c1C
C=CC/[NH+]=C(\NCC)N[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] C=CC/[NH+]=C(\NCC)N[C@H]1CC(=O)N(C1)[*:1]
COc1ccccc1OCCN1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2ccccc21 COc1ccccc1O[*:1] O=C1N(CC[*:1])c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12
COc1ccccc1OCCN1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2ccccc21 COc1ccccc1[*:1] O=C1N(CCO[*:1])c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12
COc1ccccc1OCCN1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2ccccc21 COc1ccccc1OC[*:1] O=C1N(C[*:1])c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12
COc1ccccc1OCCN1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2ccccc21 c1ccc2c(c[nH]c2c1)[*:1] COc1ccccc1OCCN1C(=O)[C@](O)(c2ccccc21)[*:1]
Cc1ccccc1NC(=O)C[C@H](c1ccccc1C)n1cccc1 Cc1ccccc1[*:1] Cc1ccccc1[C@@H](CC(=O)N[*:1])n1cccc1
Cc1ccccc1NC(=O)C[C@H](c1ccccc1C)n1cccc1 c1ccn(c1)[*:1] Cc1ccccc1NC(=O)C[C@H](c1ccccc1C)[*:1]
Cc1ccccc1NC(=O)C[C@H](c1ccccc1C)n1cccc1 Cc1ccccc1[*:1] Cc1ccccc1NC(=O)C[C@H](n1cccc1)[*:1]
COCc1cccc(O[C@@H](C)c2ccc(C(=O)[O-])o2)c1 COC[*:1] C[C@H](Oc1cccc(c1)[*:1])c1ccc(o1)C(=O)[O-]
COCc1cccc(O[C@@H](C)c2ccc(C(=O)[O-])o2)c1 O=C([O-])[*:1] COCc1cccc(c1)O[C@@H](C)c1ccc(o1)[*:1]
COc1ccccc1C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] COc1ccccc1C[NH2+]Cc1ccc(cc1)[*:1]
CCCCn1nnnc1C[NH2+][C@@H]1CCc2nc(C)nn2C1 CCCC[*:1] Cc1nc2CC[C@H](Cn2n1)[NH2+]Cc1nnnn1[*:1]
CCCCn1nnnc1C[NH2+][C@@H]1CCc2nc(C)nn2C1 CCC[*:1] Cc1nc2CC[C@H](Cn2n1)[NH2+]Cc1nnnn1C[*:1]
COC(=O)c1nc(-c2cccc(N)c2)cs1 COC(=O)[*:1] Nc1cccc(c1)-c1csc(n1)[*:1]
C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCc2ccccc2C1 FC(F)(F)[*:1] C[C@@H](OC(=O)c1cccc(c1)[*:1])C(=O)N1CCc2ccccc2C1
O=C(N/N=C/c1ccc(Sc2ncn[n-]2)c([N+](=O)[O-])c1)[C@@H]1Cc2c(ccc3ccccc23)O1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(Sc2ncn[n-]2)c(c1)[*:1])[C@@H]1Cc2c(ccc3ccccc23)O1
Cc1ccc(NC(=O)NCCCN2CCOCC2)cc1Br C1CN(CCO1)C[*:1] Cc1ccc(cc1Br)NC(=O)NCC[*:1]
Cc1ccc(NC(=O)NCCCN2CCOCC2)cc1Br C1CN(CCO1)[*:1] Cc1ccc(cc1Br)NC(=O)NCCC[*:1]
Cc1noc(C)c1COc1ccc(CN2CCOCC23CCCC3)cc1 Cc1noc(C)c1C[*:1] c1cc(ccc1CN1CCOCC12CCCC2)O[*:1]
Cc1noc(C)c1COc1ccc(CN2CCOCC23CCCC3)cc1 Cc1noc(C)c1[*:1] c1cc(ccc1CN1CCOCC12CCCC2)OC[*:1]
CC[C@H](C)[NH+]1CCN(c2ccc(C(C)=O)c(O)c2)CC1 CC(=O)[*:1] CC[C@H](C)[NH+]1CCN(CC1)c1ccc(c(O)c1)[*:1]
C=CCn1c(C)nn(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1=S c1cc2OCOc2cc1[*:1] C=CCn1c(C)nn(C[NH+]2CCN(CC2)C(=O)[*:1])c1=S
C=CCn1c(C)nn(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1=S C=CC[*:1] Cc1nn(C[NH+]2CCN(CC2)C(=O)c2ccc3OCOc3c2)c(=S)n1[*:1]
COC[C@@H](C)CC(=O)Nc1ncc(C#CCN)s1 COC[C@@H](C)[*:1] NCC#Cc1cnc(NC(=O)C[*:1])s1
COC[C@@H](C)CC(=O)Nc1ncc(C#CCN)s1 NCC#C[*:1] COC[C@@H](C)CC(=O)Nc1ncc(s1)[*:1]
COC[C@@H](C)CC(=O)Nc1ncc(C#CCN)s1 COC[C@@H](C)C[*:1] NCC#Cc1cnc(NC(=O)[*:1])s1
COC[C@@H](C)CC(=O)Nc1ncc(C#CCN)s1 COC[*:1] C[C@@H](CC(=O)Nc1ncc(C#CCN)s1)[*:1]
C=CCOC(=O)c1cccc(NC(C)=O)c1 C=CC[*:1] CC(=O)Nc1cccc(c1)C(=O)O[*:1]
C=CCOC(=O)c1cccc(NC(C)=O)c1 CC(=O)N[*:1] C=CCOC(=O)c1cccc(c1)[*:1]
CC[C@@H](C(=O)NC1CCN(S(C)(=O)=O)CC1)n1cccn1 c1cnn(c1)[*:1] CC[C@@H](C(=O)NC1CCN(CC1)S(C)(=O)=O)[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H](O)COCc2ccccc2F)CC1 Fc1ccccc1[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C[C@H](O)COC[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H](O)COCc2ccccc2F)CC1 Fc1ccccc1C[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C[C@H](O)CO[*:1]
O=C([O-])[C@@H]1CCN(C(=O)c2c(F)cc(Br)cc2F)C1 O=C([O-])[*:1] O=C(c1c(F)cc(Br)cc1F)N1CC[C@H](C1)[*:1]
COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NCc3ccccc3C(F)(F)F)C2=O)cc1 COc1ccc(cc1)[*:1] C/C(NCc1ccccc1C(F)(F)F)=C1/C(=O)NC(=O)N(C1=O)[*:1]
COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NCc3ccccc3C(F)(F)F)C2=O)cc1 FC(F)(F)c1ccccc1[*:1] COc1ccc(cc1)N1C(=O)NC(=O)/C(C1=O)=C(/C)NC[*:1]
COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NCc3ccccc3C(F)(F)F)C2=O)cc1 FC(F)(F)[*:1] COc1ccc(cc1)N1C(=O)NC(=O)/C(C1=O)=C(/C)NCc1ccccc1[*:1]
CCCc1nc(C[S@](=O)Cc2cc3c(cc2Br)OCCO3)no1 CCC[*:1] O=[S@@](Cc1noc(n1)[*:1])Cc1cc2OCCOc2cc1Br
CCC[NH2+][C@H](C)c1cc(C)ccc1OC/C(Cl)=C/Cl Cl/C=C(\Cl)CO[*:1] CCC[NH2+][C@H](C)c1cc(C)ccc1[*:1]
CCC[NH2+][C@H](C)c1cc(C)ccc1OC/C(Cl)=C/Cl Cl/C=C(\Cl)C[*:1] CCC[NH2+][C@H](C)c1cc(C)ccc1O[*:1]
CCC[NH2+][C@H](C)c1cc(C)ccc1OC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] CCC[NH2+][C@H](C)c1cc(C)ccc1OC[*:1]
CCC[NH2+][C@H](C)c1cc(C)ccc1OC/C(Cl)=C/Cl CCC[*:1] Cc1ccc(OC/C(Cl)=C/Cl)c(c1)[C@@H](C)[NH2+][*:1]
CC(=O)c1cccc(N2/C(=N/C(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 CC(=O)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(c1)[*:1])C1CCCCC1
CC(=O)c1cccc(N2/C(=N/C(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 C1CCC(CC1)[*:1] CC(=O)c1cccc(c1)N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
CC(=O)c1cccc(N2/C(=N/C(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 CC(=O)c1cccc(c1)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1])C1CCCCC1
c1cn(CCc2noc([C@@H]3CCCO3)n2)c(-c2nc3c(s2)CCCC3)n1 C1CO[C@@H](C1)[*:1] c1cn(CCc2noc(n2)[*:1])c(n1)-c1nc2CCCCc2s1
COc1ccc(C2=C[C@H](C(=O)NCc3cccnc3)N=N2)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)C1=C[C@@H](N=N1)C(=O)N[*:1]
COc1ccc(C2=C[C@H](C(=O)NCc3cccnc3)N=N2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)C1=C[C@@H](N=N1)C(=O)NC[*:1]
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Sc1ccccn1 Cc1n[nH]cc1[*:1] C[C@H](Sc1ccccn1)C(=O)NNC(=O)[*:1]
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)S[*:1]
Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Sc1ccccn1 c1ccc(nc1)S[*:1] Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)[*:1]
COC(=O)[C@H](C)[C@H](C)Nc1ccccc1C(F)(F)F COC(=O)[*:1] C[C@H](Nc1ccccc1C(F)(F)F)[C@@H](C)[*:1]
COC(=O)[C@H](C)[C@H](C)Nc1ccccc1C(F)(F)F COC(=O)[C@H](C)[*:1] C[C@H](Nc1ccccc1C(F)(F)F)[*:1]
COC(=O)[C@H](C)[C@H](C)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@H](C)[C@H](C)Nc1ccccc1[*:1]
CC(C)COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1 c1ccc(cc1)[*:1] CC(C)COc1ccc(cc1)C(=O)Nc1nc(ns1)[*:1]
CC(C)COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1 CC(C)CO[*:1] O=C(Nc1nc(ns1)-c1ccccc1)c1ccc(cc1)[*:1]
CC(C)COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1 CC(C)C[*:1] O=C(Nc1nc(ns1)-c1ccccc1)c1ccc(cc1)O[*:1]
CC(C)COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1 CC(C)[*:1] O=C(Nc1nc(ns1)-c1ccccc1)c1ccc(cc1)OC[*:1]
O=C(Nc1ccccc1N1CCCC1=O)c1cccc(OCc2ccccc2)c1 O=C1CCCN1[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)OCc1ccccc1
O=C(Nc1ccccc1N1CCCC1=O)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1N1CCCC1=O)c1cccc(c1)OC[*:1]
O=C(Nc1ccccc1N1CCCC1=O)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1N1CCCC1=O)c1cccc(c1)O[*:1]
O=C(Nc1ccccc1N1CCCC1=O)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] O=C(Nc1ccccc1N1CCCC1=O)c1cccc(c1)[*:1]
COc1ccc([C@@H](O)CN[C@H](C)c2cc(Cl)ccc2Cl)cc1OC Clc1ccc(Cl)c(c1)[*:1] COc1ccc(cc1OC)[C@@H](O)CN[C@H](C)[*:1]
Cc1cccc(-c2nn3c(=O)cc(CNC(=O)COc4cc(C)ccc4C)nc3s2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cccc(c1)-c1nn2c(=O)cc(CNC(=O)CO[*:1])nc2s1
Cc1cccc(-c2nn3c(=O)cc(CNC(=O)COc4cc(C)ccc4C)nc3s2)c1 Cc1ccc(C)c(c1)OC[*:1] Cc1cccc(c1)-c1nn2c(=O)cc(CNC(=O)[*:1])nc2s1
Cc1cccc(-c2nn3c(=O)cc(CNC(=O)COc4cc(C)ccc4C)nc3s2)c1 Cc1cccc(c1)[*:1] Cc1ccc(C)c(c1)OCC(=O)NCc1cc(=O)n2nc(sc2n1)[*:1]
Cc1cccc(-c2nn3c(=O)cc(CNC(=O)COc4cc(C)ccc4C)nc3s2)c1 Cc1ccc(C)c(c1)O[*:1] Cc1cccc(c1)-c1nn2c(=O)cc(CNC(=O)C[*:1])nc2s1
CC[C@@H](C)NC(=O)c1c(C)c(N2CCOCC2)c(C)n1Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] CC[C@@H](C)NC(=O)c1c(C)c(c(C)n1[*:1])N1CCOCC1
CC[C@@H](C)NC(=O)c1c(C)c(N2CCOCC2)c(C)n1Cc1cccc(F)c1 C1CN(CCO1)[*:1] CC[C@@H](C)NC(=O)c1c(C)c(c(C)n1Cc1cccc(F)c1)[*:1]
CC[C@@H](C)NC(=O)c1c(C)c(N2CCOCC2)c(C)n1Cc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@@H](C)NC(=O)c1c(C)c(c(C)n1C[*:1])N1CCOCC1
CCCn1nc(C(=O)Nc2ccc(OCC(N)=O)cc2)c2ccccc2c1=O NC(=O)C[*:1] CCCn1nc(C(=O)Nc2ccc(cc2)O[*:1])c2ccccc2c1=O
CCCn1nc(C(=O)Nc2ccc(OCC(N)=O)cc2)c2ccccc2c1=O CCC[*:1] NC(=O)COc1ccc(cc1)NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
CCCn1nc(C(=O)Nc2ccc(OCC(N)=O)cc2)c2ccccc2c1=O NC(=O)[*:1] CCCn1nc(C(=O)Nc2ccc(cc2)OC[*:1])c2ccccc2c1=O
CCCn1nc(C(=O)Nc2ccc(OCC(N)=O)cc2)c2ccccc2c1=O NC(=O)CO[*:1] CCCn1nc(C(=O)Nc2ccc(cc2)[*:1])c2ccccc2c1=O
CC(C)CCO[C@@H]1CCN(C(=O)Nc2ccccc2C(F)(F)F)C1 CC(C)C[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2ccccc2C(F)(F)F)C1 FC(F)(F)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)Nc1ccccc1[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2ccccc2C(F)(F)F)C1 CC(C)CCO[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](C1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2ccccc2C(F)(F)F)C1 CC(C)CC[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2ccccc2C(F)(F)F)C1 CC(C)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](C1)OCC[*:1]
COc1ccc(C(F)(F)F)cc1-c1cc(N)cc(C(=O)[O-])c1 FC(F)(F)[*:1] COc1ccc(cc1-c1cc(N)cc(c1)C(=O)[O-])[*:1]
COc1ccc(C(F)(F)F)cc1-c1cc(N)cc(C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(cc1-c1cc(N)cc(c1)[*:1])C(F)(F)F
CN(Cc1ccccc1)C(=O)CNC(=O)COc1ccccc1 c1ccc(cc1)C[*:1] CN(C(=O)CNC(=O)COc1ccccc1)[*:1]
CN(Cc1ccccc1)C(=O)CNC(=O)COc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)CNC(=O)CO[*:1]
CN(Cc1ccccc1)C(=O)CNC(=O)COc1ccccc1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CNC(=O)COc1ccccc1
CN(Cc1ccccc1)C(=O)CNC(=O)COc1ccccc1 c1ccc(cc1)O[*:1] CN(Cc1ccccc1)C(=O)CNC(=O)C[*:1]
CCOC(=O)c1sc2nc(SC)nc(-c3ccc(Cl)cc3)c2c1N CCOC(=O)[*:1] CSc1nc(-c2ccc(Cl)cc2)c2c(N)c(sc2n1)[*:1]
CCOC(=O)c1sc2nc(SC)nc(-c3ccc(Cl)cc3)c2c1N Clc1ccc(cc1)[*:1] CCOC(=O)c1sc2nc(nc(c2c1N)[*:1])SC
Cc1ccccc1OCC[NH2+][C@H](C)c1occc1C Cc1ccoc1[*:1] Cc1ccccc1OCC[NH2+][C@H](C)[*:1]
COCC[NH2+]CC(=O)N1CCOC[C@@H]1C(=O)[O-] COC[*:1] O=C([O-])[C@H]1COCCN1C(=O)C[NH2+]C[*:1]
COCC[NH2+]CC(=O)N1CCOC[C@@H]1C(=O)[O-] COCC[*:1] O=C([O-])[C@H]1COCCN1C(=O)C[NH2+][*:1]
COCC[NH2+]CC(=O)N1CCOC[C@@H]1C(=O)[O-] O=C([O-])[*:1] COCC[NH2+]CC(=O)N1CCOC[C@H]1[*:1]
COc1ccccc1/C=C(/C(=O)OC[C@H]1CCC(=O)N1)c1ccccc1 COc1ccccc1[*:1] O=C1CC[C@H](COC(=O)C(=C[*:1])c2ccccc2)N1
COc1ccccc1/C=C(/C(=O)OC[C@H]1CCC(=O)N1)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1/C=C(/C(=O)OC[C@H]1CCC(=O)N1)[*:1]
O=C(c1ccco1)N1CCC[C@H](Nc2ncnc3c2CCC3)C1 c1coc(c1)[*:1] O=C(N1CCC[C@@H](C1)Nc1ncnc2CCCc21)[*:1]
COCCN1C(N)=[NH+]C[C@]1(C)c1ccc(CC(C)C)cc1 CC(C)[*:1] COCCN1C(N)=[NH+]C[C@]1(C)c1ccc(cc1)C[*:1]
COCCN1C(N)=[NH+]C[C@]1(C)c1ccc(CC(C)C)cc1 COCC[*:1] CC(C)Cc1ccc(cc1)[C@@]1(C)C[NH+]=C(N)N1[*:1]
COCCN1C(N)=[NH+]C[C@]1(C)c1ccc(CC(C)C)cc1 COC[*:1] CC(C)Cc1ccc(cc1)[C@@]1(C)C[NH+]=C(N)N1C[*:1]
COCCN1C(N)=[NH+]C[C@]1(C)c1ccc(CC(C)C)cc1 CC(C)C[*:1] COCCN1C(N)=[NH+]C[C@]1(C)c1ccc(cc1)[*:1]
CNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(F)cc1
C[C@@H](Sc1cccc(F)c1)C(=O)Nc1ccc(F)c(N)c1 Fc1cccc(c1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(F)c(N)c1
O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(c3ccccc3)CC2)cc1 O=[N+]([O-])[*:1] c1ccc(cc1)N1CCC(CC1)[NH2+]CCOc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)OCC[NH2+]C1CCN(CC1)[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 Fc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCN(C1)C(=O)O[*:1]
COCCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] COCCOC(=O)C1=C(N)Oc2c(oc(cc2=O)CO)[C@@H]1[*:1]
COCCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(F)c1 COC[*:1] NC1Oc2c(oc(cc2=O)CO)[C@H](C=1C(=O)OC[*:1])c1cccc(F)c1
COCCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(F)c1 COCC[*:1] NC1Oc2c(oc(cc2=O)CO)[C@H](C=1C(=O)O[*:1])c1cccc(F)c1
COCCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(F)c1 COCCOC(=O)[*:1] NC1Oc2c(oc(cc2=O)CO)[C@H](C=1[*:1])c1cccc(F)c1
CN(C(=O)c1cc(-c2ccco2)on1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CN(C(=O)c1cc(on1)-c1ccco1)[*:1]
CN(C(=O)c1cc(-c2ccco2)on1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] CN(C(=O)c1cc(on1)[*:1])[C@H]1CCS(=O)(=O)C1
CN(CC#Cc1cccc(Cl)c1)C1(C(N)=O)CCCC1 NC(=O)[*:1] CN(CC#Cc1cccc(Cl)c1)C1(CCCC1)[*:1]
O=S(=O)(Cc1ccccc1)/N=C(\[O-])c1ccc(-n2ccnn2)cc1 c1ccc(cc1)C[*:1] O=S(=O)(/N=C(\[O-])c1ccc(cc1)-n1ccnn1)[*:1]
O=S(=O)(Cc1ccccc1)/N=C(\[O-])c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=S(=O)(Cc1ccccc1)/N=C(\[O-])c1ccc(cc1)[*:1]
O=S(=O)(Cc1ccccc1)/N=C(\[O-])c1ccc(-n2ccnn2)cc1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])/N=C(\[O-])c1ccc(cc1)-n1ccnn1
C[S@@](=O)CCNC(=O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] C[S@@](=O)CCNC(=O)c1cccc(n1)O[*:1]
C[S@@](=O)CCNC(=O)c1cccc(OCC(F)F)n1 C[S@@](=O)CC[*:1] O=C(N[*:1])c1cccc(n1)OCC(F)F
C[S@@](=O)CCNC(=O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] C[S@@](=O)CCNC(=O)c1cccc(n1)[*:1]
C[S@@](=O)CCNC(=O)c1cccc(OCC(F)F)n1 FC(F)[*:1] C[S@@](=O)CCNC(=O)c1cccc(n1)OC[*:1]
Cc1ccc(NC(=O)[C@H](NC(N)=O)C(C)C)cc1F NC(=O)N[*:1] Cc1ccc(cc1F)NC(=O)[C@H](C(C)C)[*:1]
Cc1ccc(NC(=O)[C@H](NC(N)=O)C(C)C)cc1F CC(C)[*:1] Cc1ccc(cc1F)NC(=O)[C@H](NC(N)=O)[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)NC1CC1 C1CC1[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)N[*:1]
CN1C(=O)C[C@H](NC(=O)c2ccc(O)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 Oc1ccc(cc1Cl)[*:1] CN1C(=O)C[C@H](NC(=O)[*:1])[C@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NC(=O)c2ccc(O)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)c2ccc(O)c(Cl)c2)[C@@H]1[*:1]
C/C=C/C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CC=C[*:1] C[C@@H]1[C@H](CCN1C(=O)[*:1])C(=O)[O-]
C/C=C/C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] C/C=C/C(=O)N1CC[C@H]([C@H]1C)[*:1]
Cc1ccc(C(=O)N(CC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)C(C)(C)C)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N(CC(=O)N1CCn2cccc2[C@H]1[*:1])C(C)(C)C
Cc1ccc(C(=O)N(CC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)C(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1)[*:1]
Cc1ccc(C(=O)N(CC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)C(C)(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1)C(=O)[*:1]
O=C(c1oc2ccccc2c1COc1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 c1ccc(cc1)O[*:1] O=C(c1oc2ccccc2c1C[*:1])N1CC[NH+](CC1)C[C@H]1CCCO1
O=C(c1oc2ccccc2c1COc1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 c1ccc(cc1)OC[*:1] O=C(c1oc2ccccc2c1[*:1])N1CC[NH+](CC1)C[C@H]1CCCO1
O=C(c1oc2ccccc2c1COc1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 c1ccc(cc1)[*:1] O=C(c1oc2ccccc2c1CO[*:1])N1CC[NH+](CC1)C[C@H]1CCCO1
CCOC(=O)[C@@H](c1ccc(F)cc1)N1CCC(=O)CC1 CCOC(=O)[*:1] O=C1CCN(CC1)[C@H](c1ccc(F)cc1)[*:1]
O=C(c1ccc2ccccc2n1)N1CCN(Cc2csc3ccccc23)CC1 c1ccc2c(csc2c1)[*:1] O=C(c1ccc2ccccc2n1)N1CCN(CC1)C[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccnc2Cl)C1 Clc1ncccc1[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1ccccc1NC(=O)[*:1]
Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(C)c1 c1cc(ccn1)[*:1] Cc1ccc(OCC(=O)Nc2ccc3oc(nc3c2)[*:1])c(C)c1
Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(C)c1 Cc1ccc(O[*:1])c(C)c1 O=C(C[*:1])Nc1ccc2oc(nc2c1)-c1ccncc1
Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CO[*:1])Nc1ccc2oc(nc2c1)-c1ccncc1
CC(C)C[NH2+]C/C=C/c1cccc([N+](=O)[O-])c1 CC(C)[*:1] O=[N+]([O-])c1cccc(/C=C/C[NH2+]C[*:1])c1
CC(C)C[NH2+]C/C=C/c1cccc([N+](=O)[O-])c1 CC(C)C[*:1] O=[N+]([O-])c1cccc(/C=C/C[NH2+][*:1])c1
CC(C)C[NH2+]C/C=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)C[NH2+]C/C=C/c1cccc(c1)[*:1]
Cc1ccc(C(N)=O)c(NCc2ccc(C(=O)[O-])o2)n1 O=C([O-])[*:1] Cc1ccc(C(N)=O)c(n1)NCc1ccc(o1)[*:1]
Cc1ccc(C(N)=O)c(NCc2ccc(C(=O)[O-])o2)n1 NC(=O)[*:1] Cc1ccc(c(n1)NCc1ccc(o1)C(=O)[O-])[*:1]
CC(C)N1C[C@H](C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)CC1=O O=C(N[*:1])c1ccccc1 CC(C)N1C[C@@H](CC1=O)C(=O)Oc1cccc(c1)[*:1]
CC(C)N1C[C@H](C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)CC1=O CC(C)[*:1] O=C(Nc1cccc(c1)OC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1
CC(C)N1C[C@H](C(=O)Oc2cccc(NC(=O)c3ccccc3)c2)CC1=O c1ccc(cc1)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)Oc1cccc(c1)NC(=O)[*:1]
C=CCN1CCN(C(=O)CCCOc2ccc(Cl)cc2C)CC1 C=CC[*:1] Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(CC1)[*:1]
CC(C)c1cc(C(=O)N[C@@H](C)CCc2ccc(F)c(F)c2)on1 CC(C)[*:1] C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)c1cc(no1)[*:1]
C[NH2+][C@@H](C)c1cc(F)ccc1OC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[NH2+][C@@H](C)c1cc(F)ccc1OC[C@H](O)[*:1]
Cc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)C(=O)NCc1ccco1
Cc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1 Cc1ccc(C)c(c1)O[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)NCc1ccco1
Cc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1 c1coc(c1)C[*:1] Cc1ccc(C)c(c1)OCC(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1 O=C(NCc1ccco1)[*:1] Cc1ccc(C)c(c1)OCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1 c1coc(c1)[*:1] Cc1ccc(C)c(c1)OCC(=O)Nc1ccc(cc1)C(=O)NC[*:1]
Cc1ccccc1-c1ncc(C[NH+]2CCCn3nc(C#N)cc3C2)s1 Cc1ccccc1[*:1] N#Cc1cc2C[NH+](CCCn2n1)Cc1cnc(s1)[*:1]
[NH3+]C[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])O1 O=C([O-])[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)N[C@@H](Cc1ccccc1)[*:1]
[NH3+]C[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])O1 c1ccc(cc1)C[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)N[C@@H](C(=O)[O-])[*:1]
[NH3+]C[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])O1 c1ccc(cc1)[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)N[C@@H](C[*:1])C(=O)[O-]
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)N[C@H](C)c1ccccc1
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)N[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H](Sc1nnc(o1)-c1ccccc1)C(=O)N[*:1]
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(o1)-c1ccccc1)C(=O)N[C@H](C)[*:1]
CC(C)[C@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2 CC(C)[*:1] C[C@H](NC(=O)c1cc2COc3ccccc3-c2s1)[*:1]
CC(C)[C@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2 CC(C)[C@H](C)[*:1] O=C(N[*:1])c1cc2COc3ccccc3-c2s1
CCSc1cnn(-c2cccc(Cl)c2)c1N CCS[*:1] Nc1c(cnn1-c1cccc(Cl)c1)[*:1]
C#CCN(CC#C)C(=O)C[C@@H]1CCc2ccccc21 C#CC[*:1] C#CCN(C(=O)C[C@@H]1CCc2ccccc21)[*:1]
Cc1nc(C2CCN(C(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)CC2)no1 Fc1ccc(cc1)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@@H](c1nccn1C)[*:1]
Cc1nc(C2CCN(C(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)CC2)no1 Cc1nc(no1)[*:1] Cn1ccnc1[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(F)cc1
Cc1nc(C2CCN(C(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)CC2)no1 Cn1ccnc1[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)N[*:1]
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)CSc1nnc(-c2ccccc2)c(n1)[*:1]
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)CSc1nnc(c(n1)-c1ccccc1)[*:1]
COC[C@@](C)(CCO)NC(=O)Nc1ccc2c(c1)COC2 COC[*:1] C[C@@](CCO)(NC(=O)Nc1ccc2COCc2c1)[*:1]
COC[C@@](C)(CCO)NC(=O)Nc1ccc2c(c1)COC2 OCC[*:1] COC[C@@](C)(NC(=O)Nc1ccc2COCc2c1)[*:1]
O=C(O[C@@H]1C=C(c2ccc(Cl)cc2)CC1)[C@H]1CCc2cn[nH]c2C1 Clc1ccc(cc1)[*:1] O=C(O[C@@H]1C=C(CC1)[*:1])[C@H]1CCc2cn[nH]c2C1
Cc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1[*:1]
COc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 c1csc(c1)[*:1] COc1ccc(cc1)NC(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
COc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2CCN(C(=O)c3cccs3)c2c1)N[*:1]
CCCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] CCCc1cc(=O)n2c(n1)SC[C@H]2C[*:1]
CCCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NC(C)(C)C CCC[*:1] CC(C)(C)NC(=O)C[C@@H]1CSc2nc(cc(=O)n21)[*:1]
CCCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NC(C)(C)C CC(C)(C)[*:1] CCCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N[*:1]
CCc1nnc2n1CCN(CC(=O)Nc1ccnn1[C@H](C)C1CC1)C2 C1CC1[*:1] CCc1nnc2CN(CCn12)CC(=O)Nc1ccnn1[C@H](C)[*:1]
CCC[NH2+]C[C@H](C)CSc1ccncc1 CCC[*:1] C[C@@H](C[NH2+][*:1])CSc1ccncc1
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 c1cc(ccn1)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)NC(=O)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 Clc1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1cccc(c1)NC(=O)c1ccncc1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 Clc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)NC(=O)c1ccncc1
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 O=C(N[*:1])c1ccncc1 C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)[*:1]
C/C=C/CS(=O)(=O)[C@@H](C)C(=O)NCC1CCCCC1 C/C=C/C[*:1] C[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)[*:1]
C/C=C/CS(=O)(=O)[C@@H](C)C(=O)NCC1CCCCC1 C1CCC(CC1)[*:1] C/C=C/CS(=O)(=O)[C@@H](C)C(=O)NC[*:1]
C/C=C/CS(=O)(=O)[C@@H](C)C(=O)NCC1CCCCC1 CC=C[*:1] C[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)C[*:1]
O=C([C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCN(CC1)[*:1]
O=C([C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCN(c2ccc(F)cc2)CC1 c1cnc2c(cccc2c1)[*:1] O=C([C@H]1CCCN1S(=O)(=O)[*:1])N1CCN(CC1)c1ccc(F)cc1
CCC[NH2+][C@@H](C)c1ccnc(N(C)[C@@H]2CCSC2)c1 CCC[*:1] C[C@H]([NH2+][*:1])c1ccnc(c1)N(C)[C@@H]1CCSC1
CCC[NH2+][C@@H](C)c1ccnc(N(C)[C@@H]2CCSC2)c1 C1C[C@H](CS1)[*:1] CCC[NH2+][C@@H](C)c1ccnc(c1)N(C)[*:1]
Cc1nc(CCC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[NH+]1CCC(CC1)N(CCc1ccccc1)C(=O)CC[*:1]
Cc1nc(CCC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)n[nH]1 Cc1nc(C[*:1])n[nH]1 C[NH+]1CCC(CC1)N(CCc1ccccc1)C(=O)C[*:1]
Cc1nc(CCC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)n[nH]1 Cc1nc(CC[*:1])n[nH]1 C[NH+]1CCC(CC1)N(CCc1ccccc1)C(=O)[*:1]
Cc1nc(CCC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)n[nH]1 c1ccc(cc1)CC[*:1] Cc1nc(CCC(=O)N(C2CC[NH+](C)CC2)[*:1])n[nH]1
Cc1nc(CCC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(CCC(=O)N(CC[*:1])C2CC[NH+](C)CC2)n[nH]1
Cc1nc(CCC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)n[nH]1 c1ccc(cc1)C[*:1] Cc1nc(CCC(=O)N(C[*:1])C2CC[NH+](C)CC2)n[nH]1
CN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)s1 c1cc(ccn1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(Cl)s1
CN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CN(Cc1ccncc1)S(=O)(=O)[*:1]
CC[C@@H](NC(=O)N[C@@](C)(CC)C(=O)[O-])c1cccs1 O=C([O-])[*:1] CC[C@@H](NC(=O)N[C@@](C)(CC)[*:1])c1cccs1
CC[C@@H](NC(=O)N[C@@](C)(CC)C(=O)[O-])c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)N[C@@](C)(CC)C(=O)[O-])[*:1]
COC(=O)C[C@H](NC(=O)Nc1nccs1)c1ccc(Br)cc1 c1csc(n1)[*:1] COC(=O)C[C@H](NC(=O)N[*:1])c1ccc(Br)cc1
COC(=O)C[C@H](NC(=O)Nc1nccs1)c1ccc(Br)cc1 COC(=O)C[*:1] O=C(Nc1nccs1)N[C@H](c1ccc(Br)cc1)[*:1]
COC(=O)C[C@H](NC(=O)Nc1nccs1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COC(=O)C[C@H](NC(=O)Nc1nccs1)[*:1]
COC(=O)C[C@H](NC(=O)Nc1nccs1)c1ccc(Br)cc1 COC(=O)[*:1] O=C(Nc1nccs1)N[C@@H](C[*:1])c1ccc(Br)cc1
CCOc1cc(/C=C(/C#N)C(=O)c2sccc2C)cc(Cl)c1OC Cc1ccsc1[*:1] CCOc1cc(/C=C(/C#N)C(=O)[*:1])cc(Cl)c1OC
CCOc1cc(/C=C(/C#N)C(=O)c2sccc2C)cc(Cl)c1OC Cc1ccsc1C(=O)[*:1] CCOc1cc(C=C(C#N)[*:1])cc(Cl)c1OC
CCOc1cc(/C=C(/C#N)C(=O)c2sccc2C)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(/C=C(/C#N)C(=O)c2sccc2C)cc1[*:1]
O=C1CC2(CC[NH+](CCO)CC2)CN1Cc1ccc(Cl)cc1 OCC[*:1] O=C1CC2(CC[NH+](CC2)[*:1])CN1Cc1ccc(Cl)cc1
O=C1CC2(CC[NH+](CCO)CC2)CN1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1CC2(CC[NH+](CCO)CC2)CN1C[*:1]
Cc1cc(C[NH+](C)C(C)(C)CO)c(OC(F)F)cc1C FC(F)O[*:1] Cc1cc(C[NH+](C)C(C)(C)CO)c(cc1C)[*:1]
Cc1cc(C[NH+](C)C(C)(C)CO)c(OC(F)F)cc1C FC(F)[*:1] Cc1cc(C[NH+](C)C(C)(C)CO)c(cc1C)O[*:1]
Cc1cc(C[NH+](C)C(C)(C)CO)c(OC(F)F)cc1C CC(C)(CO)[*:1] Cc1cc(C[NH+](C)[*:1])c(cc1C)OC(F)F
CSc1ccc(C)c(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1 CC(C)(C)NC(=O)[*:1] CSc1ccc(C)c(c1)C(=O)Nc1cccc(c1)[*:1]
CSc1ccc(C)c(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1 CC(C)(C)[*:1] CSc1ccc(C)c(c1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
COc1ccc(CN(CC(=O)[O-])N=O)cc1 O=C([O-])[*:1] COc1ccc(cc1)CN(C[*:1])N=O
COc1ccc(CN(CC(=O)[O-])N=O)cc1 O=C([O-])C[*:1] COc1ccc(cc1)CN(N=O)[*:1]
Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(CC(N)=O)c(=O)c12 NC(=O)C[*:1] Cc1c(sc2ncn(c(=O)c12)[*:1])-c1nc(no1)-c1ccccc1Cl
Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(CC(N)=O)c(=O)c12 Clc1ccccc1[*:1] Cc1c(sc2ncn(CC(N)=O)c(=O)c12)-c1nc(no1)[*:1]
Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(CC(N)=O)c(=O)c12 NC(=O)[*:1] Cc1c(sc2ncn(C[*:1])c(=O)c12)-c1nc(no1)-c1ccccc1Cl
C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(SCC(F)(F)F)cc1 CN1CC[C@@H](C1=O)[*:1] C[C@@H](N[*:1])c1ccc(cc1)SCC(F)(F)F
C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(SCC(F)(F)F)cc1 FC(F)(F)C[*:1] C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(cc1)S[*:1]
C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(SCC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(cc1)SC[*:1]
C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(SCC(F)(F)F)cc1 FC(F)(F)CS[*:1] C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(cc1)[*:1]
CCCc1noc(CS(=O)(=O)c2ccc(F)c(Cl)c2)n1 CCC[*:1] O=S(=O)(Cc1nc(no1)[*:1])c1ccc(F)c(Cl)c1
O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)C(F)(F)F FC(F)(F)[*:1] O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)[*:1]
O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)C(F)(F)F Clc1ccccc1[*:1] O=C(CCC(=O)N[*:1])NNC(=O)C(F)(F)F
C=CC[NH+](CC=C)Cc1cc(=O)oc2cc(OC)ccc12 C=CC[*:1] C=CC[NH+](Cc1cc(=O)oc2cc(ccc12)OC)[*:1]
[NH3+]CCOC[C@@H]1CSc2ccccc21 [NH3+]CC[*:1] c1ccc2c(c1)SC[C@H]2CO[*:1]
Cc1cc(NC(=O)c2cc(C(C)(C)C)on2)n(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc(NC(=O)c2cc(on2)C(C)(C)C)n(n1)[*:1]
Cc1cc(NC(=O)c2cc(C(C)(C)C)on2)n(Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(NC(=O)c2cc(on2)C(C)(C)C)n(C[*:1])n1
Cc1cc(NC(=O)c2cc(C(C)(C)C)on2)n(Cc2ccccn2)n1 CC(C)(C)[*:1] Cc1cc(NC(=O)c2cc(on2)[*:1])n(Cc2ccccn2)n1
CNC(=O)NC(=O)CC[NH+](C)CC(=O)[O-] O=C([O-])[*:1] CNC(=O)NC(=O)CC[NH+](C)C[*:1]
O=C(NC1CCN(C(=O)[C@H]2C=CC=NC2=S)CC1)c1ccoc1 c1cc(co1)[*:1] O=C([C@H]1C=CC=NC1=S)N1CCC(CC1)NC(=O)[*:1]
CCOC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 CCO[*:1] C[C@@H](NC(=O)N1CCC[C@H](C1)C[*:1])c1ccc(Cl)cc1Cl
CCOC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 CCOC[*:1] C[C@@H](NC(=O)N1CCC[C@H](C1)[*:1])c1ccc(Cl)cc1Cl
COc1ccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1OC FC(F)(F)[*:1] COc1ccc(CNC(=O)Nc2ccc(cc2)[*:1])c(OC)c1OC
COC(=O)c1sccc1NC(=O)c1ccc(F)c(F)c1 COC(=O)[*:1] O=C(Nc1ccsc1[*:1])c1ccc(F)c(F)c1
O=C([O-])c1cc(S(=O)(=O)Cc2cccc(O)c2)ccc1F O=C([O-])[*:1] O=S(=O)(Cc1cccc(O)c1)c1ccc(F)c(c1)[*:1]
O=C([O-])c1cc(S(=O)(=O)Cc2cccc(O)c2)ccc1F Oc1cccc(c1)[*:1] O=C([O-])c1cc(ccc1F)S(=O)(=O)C[*:1]
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](C)CC2)cc1 C=CCNC(=O)[*:1] C[C@H]1CCCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](C)CC2)cc1 C=CC[*:1] C[C@H]1CCCN(CC1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
COC(=O)c1[nH]c(C)cc1NC(=O)c1coc(-c2ccccc2)n1 COC(=O)[*:1] Cc1cc(NC(=O)c2coc(n2)-c2ccccc2)c([nH]1)[*:1]
COC(=O)c1[nH]c(C)cc1NC(=O)c1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] COC(=O)c1[nH]c(C)cc1NC(=O)c1coc(n1)[*:1]
Cc1cccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])n1 CC(C)[*:1] Cc1cccc(n1)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
Cc1cccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1cccc(n1)Nc1ncnc(NC(C)C)c1[*:1]
Cc1cccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])n1 CC(C)N[*:1] Cc1cccc(n1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1cccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])n1 Cc1cccc(n1)[*:1] CC(C)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
Cn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1ccccc1F Fc1ccccc1[*:1] Cn1c(nnc1[*:1])SCC(=O)N1CCN(CC1)c1ccc(F)cc1
Cn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1ccccc1F Fc1ccc(cc1)[*:1] Cn1c(nnc1-c1ccccc1F)SCC(=O)N1CCN(CC1)[*:1]
CN(CC[C@@H]([NH3+])CO)CCS(C)(=O)=O CS(=O)(=O)[*:1] CN(CC[C@@H]([NH3+])CO)CC[*:1]
CC(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)CC1 FC(F)(F)[*:1] CC(=O)N1CCC(CC1)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)C(=O)N[C@@H](C(F)(F)F)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H](C)[C@H](O)C1 CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N1CC[C@@H](C)[C@H](O)C1)[*:1]
COC(=O)NC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1C COC(=O)NC(=O)[*:1] COc1ccc(cc1)C(=O)Nc1sc(C)c(C)c1[*:1]
COC(=O)NC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1C COc1ccc(cc1)[*:1] COC(=O)NC(=O)c1c(NC(=O)[*:1])sc(C)c1C
COC(=O)Cn1ccc2cc(OC)ccc21 COC(=O)C[*:1] COc1ccc2c(ccn2[*:1])c1
COC(=O)Cn1ccc2cc(OC)ccc21 COC(=O)[*:1] COc1ccc2c(ccn2C[*:1])c1
Cc1nc(C)c(CCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)s1 O=[N+]([O-])[*:1] Cc1nc(C)c(CCNC(=O)c2c(C)cc(C)c(c2C)[*:1])s1
Cc1nc(C)c(CCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)s1 Cc1nc(C)c(C[*:1])s1 Cc1cc(C)c(c(C)c1C(=O)NC[*:1])[N+](=O)[O-]
Cc1nc(C)c(CCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)s1 Cc1nc(C)c(s1)[*:1] Cc1cc(C)c(c(C)c1C(=O)NCC[*:1])[N+](=O)[O-]
C[C@H](CNC(=O)c1cccc(Oc2cnccn2)c1)C[NH+]1CCCC1 c1cnc(cn1)[*:1] C[C@H](CNC(=O)c1cccc(c1)O[*:1])C[NH+]1CCCC1
C[C@H](CNC(=O)c1cccc(Oc2cnccn2)c1)C[NH+]1CCCC1 c1cnc(cn1)O[*:1] C[C@H](CNC(=O)c1cccc(c1)[*:1])C[NH+]1CCCC1
COCCCNC(=O)CNc1cc(Cl)cc(Cl)c1 COCC[*:1] O=C(CNc1cc(Cl)cc(Cl)c1)NC[*:1]
COCCCNC(=O)CNc1cc(Cl)cc(Cl)c1 COCCC[*:1] O=C(CNc1cc(Cl)cc(Cl)c1)N[*:1]
COCCCNC(=O)CNc1cc(Cl)cc(Cl)c1 COC[*:1] O=C(CNc1cc(Cl)cc(Cl)c1)NCC[*:1]
CC(C)Oc1cccc([C@]2(C(C)C)CCC[NH2+]2)c1 CC(C)O[*:1] CC(C)[C@]1(CCC[NH2+]1)c1cccc(c1)[*:1]
CC(C)Oc1cccc([C@]2(C(C)C)CCC[NH2+]2)c1 CC(C)[*:1] CC(C)[C@]1(CCC[NH2+]1)c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@]2(C(C)C)CCC[NH2+]2)c1 CC(C)[*:1] CC(C)Oc1cccc(c1)[C@@]1(CCC[NH2+]1)[*:1]
O=C(NCCSc1ccccc1)c1ccnc(-n2cnnc2)c1 c1ccc(cc1)[*:1] O=C(NCCS[*:1])c1ccnc(c1)-n1cnnc1
O=C(NCCSc1ccccc1)c1ccnc(-n2cnnc2)c1 c1ccc(cc1)S[*:1] O=C(NCC[*:1])c1ccnc(c1)-n1cnnc1
O=C(NCCSc1ccccc1)c1ccnc(-n2cnnc2)c1 c1nncn1[*:1] O=C(NCCSc1ccccc1)c1ccnc(c1)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1 CC(C)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1 CC(C)N(C)S(=O)(=O)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(c1)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1 Fc1cccc(Cl)c1C[*:1] CC(C)N(C)S(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1 Fc1cccc(Cl)c1[*:1] CC(C)N(C)S(=O)(=O)c1cccc(c1)C(=O)N(C)C[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)N2CC=C(c3ccccc3Cl)CC2)C1 CCC[*:1] O=C([C@@H]1CCCN(C1)C(=O)[*:1])N1CC=C(CC1)c1ccccc1Cl
CCCC(=O)N1CCC[C@@H](C(=O)N2CC=C(c3ccccc3Cl)CC2)C1 Clc1ccccc1[*:1] CCCC(=O)N1CCC[C@H](C1)C(=O)N1CC=C(CC1)[*:1]
CCNc1cccc(CN(C)C[C@@H]2CCCCO2)[nH+]1 CCN[*:1] CN(Cc1cccc([nH+]1)[*:1])C[C@@H]1CCCCO1
CCNc1cccc(CN(C)C[C@@H]2CCCCO2)[nH+]1 C1CC[C@H](OC1)[*:1] CCNc1cccc(CN(C)C[*:1])[nH+]1
CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)sc2c1CCCC2 c1csc(c1)[*:1] CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)[*:1])sc2CCCCc21
CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)sc2c1CCCC2 CCOC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1cccs1
Nc1cc(-c2cccc([N+](=O)[O-])c2)no1 O=[N+]([O-])[*:1] Nc1cc(no1)-c1cccc(c1)[*:1]
Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2)n1 C1CC[C@@H](OC1)[*:1] Cn1cc(-c2ccnc(n2)N2CCCC2)c(n1)[C@H]1CCCN(C1)C(=O)C[*:1]
Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2)n1 C1CC[C@H](C[*:1])OC1 Cn1cc(-c2ccnc(n2)N2CCCC2)c(n1)[C@H]1CCCN(C1)C(=O)[*:1]
Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2)n1 C1CCN(C1)[*:1] Cn1cc(-c2ccnc(n2)[*:1])c(n1)[C@H]1CCCN(C1)C(=O)C[C@H]1CCCCO1
N#Cc1cccnc1NCc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] N#Cc1cccnc1NCc1ccc(cc1)O[*:1]
N#Cc1cccnc1NCc1ccc(Oc2ccc(F)cc2)cc1 N#Cc1cccnc1[*:1] Fc1ccc(cc1)Oc1ccc(cc1)CN[*:1]
N#Cc1cccnc1NCc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)O[*:1] N#Cc1cccnc1NCc1ccc(cc1)[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(NC(C)C)c1 CC(C)[*:1] CO[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(c1)N[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(NC(C)C)c1 CC(C)N[*:1] CO[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(c1)[*:1]
CCn1cc[nH+]c1CN(C)c1ncc(C)c(-c2cnn(C)c2)n1 Cn1cc(cn1)[*:1] CCn1cc[nH+]c1CN(C)c1ncc(C)c(n1)[*:1]
O=C(c1ccc(F)c(COCC2CC2)c1)N1CCC([NH+]2CCCC2)CC1 C1CC1[*:1] O=C(c1ccc(F)c(c1)COC[*:1])N1CCC(CC1)[NH+]1CCCC1
O=C(c1ccc(F)c(COCC2CC2)c1)N1CCC([NH+]2CCCC2)CC1 C1CC1COC[*:1] O=C(c1ccc(F)c(c1)[*:1])N1CCC(CC1)[NH+]1CCCC1
O=C(c1ccc(F)c(COCC2CC2)c1)N1CCC([NH+]2CCCC2)CC1 C1CC1CO[*:1] O=C(c1ccc(F)c(c1)C[*:1])N1CCC(CC1)[NH+]1CCCC1
O=C(c1ccc(F)c(COCC2CC2)c1)N1CCC([NH+]2CCCC2)CC1 C1CC1C[*:1] O=C(c1ccc(F)c(c1)CO[*:1])N1CCC(CC1)[NH+]1CCCC1
Cc1nc(C)c(CCNC(=O)c2cccc(-c3ccoc3)c2)s1 c1cc(co1)[*:1] Cc1nc(C)c(CCNC(=O)c2cccc(c2)[*:1])s1
Cc1nc(C)c(CCNC(=O)c2cccc(-c3ccoc3)c2)s1 Cc1nc(C)c(s1)[*:1] O=C(NCC[*:1])c1cccc(c1)-c1ccoc1
O=C(Nc1ccc(Oc2cccnc2)nc1)N[C@@H]1CCCn2ncnc21 c1cncc(c1)O[*:1] O=C(Nc1ccc(nc1)[*:1])N[C@@H]1CCCn2ncnc21
O=C(Nc1ccc(Oc2cccnc2)nc1)N[C@@H]1CCCn2ncnc21 c1cncc(c1)[*:1] O=C(Nc1ccc(nc1)O[*:1])N[C@@H]1CCCn2ncnc21
COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNC(=O)C4CCC4)O3)no2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H]1O[C@@H](CC[C@@H]1O)Cc1cc(on1)[*:1])C1CCC1
COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNC(=O)C4CCC4)O3)no2)cc1 C1CC(C1)[*:1] COc1ccc(cc1)-c1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[*:1])O2)no1
COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNC(=O)C4CCC4)O3)no2)cc1 O=C(NC[*:1])C1CCC1 COc1ccc(cc1)-c1cc(C[C@@H]2CC[C@H](O)[C@@H](O2)[*:1])no1
COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNC(=O)C4CCC4)O3)no2)cc1 O=C(N[*:1])C1CCC1 COc1ccc(cc1)-c1cc(C[C@@H]2CC[C@H](O)[C@@H](C[*:1])O2)no1
C=CCn1cc(C(=O)NC[C@@H]2CCCO2)c2nn(-c3ccccc3)c(=O)c-2c1 C1CO[C@@H](C1)C[*:1] C=CCn1cc(C(=O)N[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
C=CCn1cc(C(=O)NC[C@@H]2CCCO2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] C=CCn1cc(C(=O)NC[C@@H]2CCCO2)c2nn(c(=O)c-2c1)[*:1]
C=CCn1cc(C(=O)NC[C@@H]2CCCO2)c2nn(-c3ccccc3)c(=O)c-2c1 C=CC[*:1] O=C(NC[C@@H]1CCCO1)c1cn(cc2-c1nn(-c1ccccc1)c2=O)[*:1]
C=CCn1cc(C(=O)NC[C@@H]2CCCO2)c2nn(-c3ccccc3)c(=O)c-2c1 O=C(NC[C@@H]1CCCO1)[*:1] C=CCn1cc(c2nn(-c3ccccc3)c(=O)c-2c1)[*:1]
CCSc1nnc(N)n1[C@@H](CC)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCSc1nnc(N)n1[C@@H](CC)C(=O)N[*:1]
CCSc1nnc(N)n1[C@@H](CC)C(=O)Nc1ccc(Br)cc1 CCS[*:1] CC[C@@H](C(=O)Nc1ccc(Br)cc1)n1c(N)nnc1[*:1]
CC(C)[C@H](C)NC(=O)NCCNC(=O)c1ccc(F)cc1 CC(C)[*:1] C[C@H](NC(=O)NCCNC(=O)c1ccc(F)cc1)[*:1]
CC(C)[C@H](C)NC(=O)NCCNC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@H](C)NC(=O)NCCNC(=O)[*:1]
CC(C)[C@H](C)NC(=O)NCCNC(=O)c1ccc(F)cc1 CC(C)[C@H](C)[*:1] O=C(NCCNC(=O)c1ccc(F)cc1)N[*:1]
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)CC[NH+]1CCCC1 O=C([O-])[*:1] CCc1ccc(cc1S(=O)(=O)CC[NH+]1CCCC1)[*:1]
C[C@H](NC(=O)CNC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CNC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)[*:1]
C[C@H](NC(=O)CNC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CNC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N[*:1]
COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 COc1ccccc1[*:1] C[C@H]([NH2+]CC(=O)Nc1ccc(cc1)C(F)(F)F)[*:1]
COc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 Cc1noc(C)c1[*:1] COc1cccc(c1)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
COc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 COc1cccc(c1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
COc1c(C)cnc(CNC(=O)N[C@H](C)c2ccc(C)c(F)c2)c1C Cc1ccc(cc1F)[*:1] COc1c(C)cnc(CNC(=O)N[C@H](C)[*:1])c1C
Cc1cc(CCNC(=O)c2ccccc2C(F)(F)F)on1 Cc1cc(C[*:1])on1 O=C(NC[*:1])c1ccccc1C(F)(F)F
Cc1cc(CCNC(=O)c2ccccc2C(F)(F)F)on1 FC(F)(F)[*:1] Cc1cc(CCNC(=O)c2ccccc2[*:1])on1
Cc1cc(CCNC(=O)c2ccccc2C(F)(F)F)on1 Cc1cc(on1)[*:1] O=C(NCC[*:1])c1ccccc1C(F)(F)F
CC(C)[C@@H](Sc1nnc(NC2CC2)s1)C(=O)N[C@@H]1CCCC[C@@H]1C CC(C)[*:1] C[C@H]1CCCC[C@H]1NC(=O)[C@H](Sc1nnc(NC2CC2)s1)[*:1]
CC(C)[C@@H](Sc1nnc(NC2CC2)s1)C(=O)N[C@@H]1CCCC[C@@H]1C C1CC1N[*:1] CC(C)[C@@H](Sc1nnc(s1)[*:1])C(=O)N[C@@H]1CCCC[C@@H]1C
CC(C)[C@@H](Sc1nnc(NC2CC2)s1)C(=O)N[C@@H]1CCCC[C@@H]1C C1CC1[*:1] CC(C)[C@@H](Sc1nnc(N[*:1])s1)C(=O)N[C@@H]1CCCC[C@@H]1C
CC(C)[C@@H](Sc1nnc(NC2CC2)s1)C(=O)N[C@@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@H]1[*:1] CC(C)[C@@H](Sc1nnc(NC2CC2)s1)C(=O)N[*:1]
CCCc1ncncc1C(=O)N1C[C@H]([NH3+])C[C@H]1C(=O)NC CCC[*:1] CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cncnc1[*:1]
CCCc1ncncc1C(=O)N1C[C@H]([NH3+])C[C@H]1C(=O)NC CNC(=O)[*:1] CCCc1ncncc1C(=O)N1C[C@H]([NH3+])C[C@@H]1[*:1]
Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)c3cccc(F)c3)C2=O)o1 Cc1ccc(o1)[*:1] C[C@@]1(NC(=O)N(C[C@H](O)c2cccc(F)c2)C1=O)[*:1]
Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)c3cccc(F)c3)C2=O)o1 Fc1cccc(c1)[*:1] Cc1ccc(o1)[C@]1(C)NC(=O)N(C[C@H](O)[*:1])C1=O
COc1cccc([C@H](CNC(=O)N[C@H]2CCC[C@]2(C)CO)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] C[C@]1(CO)CCC[C@@H]1NC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1ccc(C(=O)N(CC2CC[NH2+]CC2)C2CC2)c(O)c1 C1CC1[*:1] Cc1ccc(C(=O)N(CC2CC[NH2+]CC2)[*:1])c(O)c1
CC(C)(O)CCc1ccc(C[NH+]2CCSCC2)cc1 CC(C)(O)CC[*:1] c1cc(ccc1C[NH+]1CCSCC1)[*:1]
CC(C)(O)CCc1ccc(C[NH+]2CCSCC2)cc1 CC(C)(O)[*:1] c1cc(ccc1CC[*:1])C[NH+]1CCSCC1
CC(C)(O)CCc1ccc(C[NH+]2CCSCC2)cc1 CC(C)(O)C[*:1] c1cc(ccc1C[NH+]1CCSCC1)C[*:1]
COc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc(Br)c1OC(C)=O CC(=O)O[*:1] COc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc(Br)c1[*:1]
COc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc(Br)c1OC(C)=O c1ccc(cc1)[*:1] COc1cc(/C=C(/C#N)S(=O)(=O)[*:1])cc(Br)c1OC(C)=O
CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 CC(C)(C)[*:1] O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 CC(C)(C)NC(=O)[*:1] O=c1c2ccccc2nc(SC[*:1])n1Cc1ccco1
CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 c1coc(c1)C[*:1] CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 c1coc(c1)[*:1] CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1C[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 CC(C)(C)NC(=O)C[*:1] O=c1c2ccccc2nc(S[*:1])n1Cc1ccco1
CN(C)NC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CCCCC2 c1ccc(cc1)O[*:1] CN(C)NC(=O)c1c(NC(=O)CC[*:1])sc2CCCCCc21
CN(C)NC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CCCCC2 c1ccc(cc1)OC[*:1] CN(C)NC(=O)c1c(NC(=O)C[*:1])sc2CCCCCc21
CN(C)NC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CCCCC2 CN(C)NC(=O)[*:1] O=C(CCOc1ccccc1)Nc1sc2CCCCCc2c1[*:1]
CN(C)NC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CCCCC2 c1ccc(cc1)[*:1] CN(C)NC(=O)c1c(NC(=O)CCO[*:1])sc2CCCCCc21
CN(C)NC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CCCCC2 c1ccc(cc1)OCC[*:1] CN(C)NC(=O)c1c(NC(=O)[*:1])sc2CCCCCc21
Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 c1cncc(c1)[*:1] Cc1sc(nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1)NC(=O)[*:1]
Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 O=C(N[*:1])c1cccnc1 Cc1sc(nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1)[*:1]
Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 C1CCC(CC1)[*:1] Cc1sc(nc1-c1ccc2c(c1)CCN2C(=O)[*:1])NC(=O)c1cccnc1
O=C(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1ccsc1 c1cc(cs1)[*:1] O=C(c1ccc2CCCCc2c1)N1CCC[C@H]1[*:1]
COc1ccccc1NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] COc1ccccc1NC1CC[NH+](CC1)Cc1cccc(c1)[*:1]
COc1ccccc1NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 COc1ccccc1[*:1] O=[N+]([O-])c1cccc(c1)C[NH+]1CCC(CC1)N[*:1]
O=C(NCCc1ccc2c(c1)OCO2)NC1CCCC1 C1CCC(C1)[*:1] O=C(NCCc1ccc2OCOc2c1)N[*:1]
CC(C)(CNC(=O)N[C@@H](CO)Cc1ccccc1)c1ccncc1 c1ccc(cc1)C[*:1] CC(C)(CNC(=O)N[C@@H](CO)[*:1])c1ccncc1
CC(C)(CNC(=O)N[C@@H](CO)Cc1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)N[C@@H](CO)C[*:1])c1ccncc1
CC(C)(CNC(=O)N[C@@H](CO)Cc1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N[C@@H](CO)Cc1ccccc1)[*:1]
CCc1ccccc1NC(=O)Cn1c(C)nc2c(sc3nc(-c4ccccc4)ccc32)c1=O CCc1ccccc1NC(=O)[*:1] Cc1nc2c(sc3nc(ccc32)-c2ccccc2)c(=O)n1C[*:1]
CCc1ccccc1NC(=O)Cn1c(C)nc2c(sc3nc(-c4ccccc4)ccc32)c1=O c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)Cn1c(C)nc2c(sc3nc(ccc32)[*:1])c1=O
CCc1ccccc1NC(=O)Cn1c(C)nc2c(sc3nc(-c4ccccc4)ccc32)c1=O CCc1ccccc1[*:1] Cc1nc2c(sc3nc(ccc32)-c2ccccc2)c(=O)n1CC(=O)N[*:1]
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccc(Cl)cc1Cl COC(=O)[*:1] C[C@@H]1CC2NC(=O)C[C@@H](C=2C(=O)[C@H]1[*:1])c1ccc(Cl)cc1Cl
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2[*:1]
Nc1nc(N)nc(N/C=C/C(=O)[O-])n1 O=C([O-])[*:1] Nc1nc(N)nc(n1)NC=C[*:1]
Cn1nc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2c1=O Clc1ccc(cc1)[*:1] Cn1nc(C(=O)N2CCC(O)(CC2)[*:1])c2ccccc2c1=O
CCCNC(=O)C1([NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)CCCCC1 CCC[*:1] CS(=O)(=O)N1CCC[C@H](C[NH2+]C2(CCCCC2)C(=O)N[*:1])C1
CCCNC(=O)C1([NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)CCCCC1 CCCNC(=O)[*:1] CS(=O)(=O)N1CCC[C@H](C[NH2+]C2(CCCCC2)[*:1])C1
CC(C)[NH2+]Cc1cc(F)ccc1S[C@@H](C)CCO CC(C)[*:1] C[C@@H](CCO)Sc1ccc(F)cc1C[NH2+][*:1]
CC(C)[NH2+]Cc1cc(F)ccc1S[C@@H](C)CCO C[C@@H](CCO)[*:1] CC(C)[NH2+]Cc1cc(F)ccc1S[*:1]
CC(C)[NH2+]Cc1cc(F)ccc1S[C@@H](C)CCO OCC[*:1] CC(C)[NH2+]Cc1cc(F)ccc1S[C@@H](C)[*:1]
CC(C)[NH2+]Cc1cc(F)ccc1S[C@@H](C)CCO C[C@@H](CCO)S[*:1] CC(C)[NH2+]Cc1cc(F)ccc1[*:1]
CC(C)NC(=O)CCNC(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)NC(=O)CCNC(=O)C[C@@H](O)[*:1]
CC(C)NC(=O)CCNC(=O)C[C@@H](O)c1ccc(Cl)cc1 CC(C)NC(=O)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)NCC[*:1]
CC(C)NC(=O)CCNC(=O)C[C@@H](O)c1ccc(Cl)cc1 CC(C)NC(=O)C[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)NC[*:1]
CC(C)NC(=O)CCNC(=O)C[C@@H](O)c1ccc(Cl)cc1 CC(C)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)NCCC(=O)N[*:1]
C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(O)cc1 C=CC[*:1] O=C(CSc1nnc(-c2ccc(O)cc2)n1[*:1])N1CCCCC1
C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)N1CCCCC1
C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(O)cc1 O=C(N1CCCCC1)[*:1] C=CCn1c(nnc1-c1ccc(O)cc1)SC[*:1]
Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1ccc(Cl)cc1Cl)N[*:1]
Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)c(F)c1 Clc1ccc(c(Cl)c1)[*:1] Cc1ccc(NC(=O)CSc2n[nH]c(n2)NN=C[*:1])c(F)c1
CO[C@@H](C)c1noc(C[NH2+][C@H]2CCS(=O)(=O)C2)n1 CO[C@@H](C)[*:1] O=S1(=O)CC[C@@H](C1)[NH2+]Cc1nc(no1)[*:1]
O=C(Nc1ccnn1Cc1ccncc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 c1cc(ccn1)C[*:1] O=C(Nc1ccnn1[*:1])C1CCN(CC1)C1=NS(=O)(=O)c2ccccc21
O=C(Nc1ccnn1Cc1ccncc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 c1cc(ccn1)[*:1] O=C(Nc1ccnn1C[*:1])C1CCN(CC1)C1=NS(=O)(=O)c2ccccc21
NC(=O)[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C1 Clc1ccccc1[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)c1c[nH]nc1[*:1]
NC(=O)[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C1 NC(=O)[*:1] O=C(c1c[nH]nc1-c1ccccc1Cl)N1CCC[C@H](C1)[*:1]
CCNc1ncc(C)c(-c2cnccc2C)n1 CCN[*:1] Cc1ccncc1-c1nc(ncc1C)[*:1]
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C)cc4)CC(=O)N32)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@]1(O)CSC2=C(C#N)[C@@H](CC(=O)N21)[*:1]
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C)cc4)CC(=O)N32)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)[C@H]1CC(=O)N2C(SC[C@@]2(O)[*:1])=C1C#N
Cc1ccc(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(SCC(=O)[*:1])n2C)n(C)c1=O
Cc1cc(C)cc(NC(=O)CS(=O)(=O)Cc2ccc(C(N)=O)cc2)c1 Cc1cc(C)cc(c1)[*:1] NC(=O)c1ccc(cc1)CS(=O)(=O)CC(=O)N[*:1]
Cc1cc(C)cc(NC(=O)CS(=O)(=O)Cc2ccc(C(N)=O)cc2)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)NC(=O)CS(=O)(=O)Cc1ccc(cc1)[*:1]
COc1ccc(C(=O)[O-])cc1-c1cc(C)c(F)cc1F O=C([O-])[*:1] COc1ccc(cc1-c1cc(C)c(F)cc1F)[*:1]
CC(C)Cc1ccc(CNC2CC[NH+](C)CC2)cc1 CC(C)[*:1] C[NH+]1CCC(CC1)NCc1ccc(cc1)C[*:1]
CC(C)Cc1ccc(CNC2CC[NH+](C)CC2)cc1 CC(C)C[*:1] C[NH+]1CCC(CC1)NCc1ccc(cc1)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1sccc1C#N N#Cc1ccsc1[*:1] C[C@@H](CCO)N(Cc1ccccc1)C(=O)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1sccc1C#N OCC[*:1] C[C@@H](N(Cc1ccccc1)C(=O)c1sccc1C#N)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1sccc1C#N c1ccc(cc1)[*:1] C[C@@H](CCO)N(C[*:1])C(=O)c1sccc1C#N
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1sccc1C#N c1ccc(cc1)C[*:1] C[C@@H](CCO)N(C(=O)c1sccc1C#N)[*:1]
O=C(CN1CCCSc2ccccc21)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CCCSc2ccccc21)N[*:1]
O=C(CN1CCCSc2ccccc21)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCCSc2ccccc21)NC[*:1]
CC(C)c1cc(C(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)[nH]n1 CC(C)c1cc([nH]n1)[*:1] O=C1NC[C@]2(CCCN(C2)C(=O)[*:1])Oc2ccccc21
CC(C)c1cc(C(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)[nH]n1 CC(C)[*:1] O=C1NC[C@]2(CCCN(C2)C(=O)c2cc(n[nH]2)[*:1])Oc2ccccc21
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C FC(F)(F)[*:1] Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2CCN(CC2)c2ncc(cc2Cl)[*:1])c1C
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C Cc1cccc(c1C)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C Cc1cccc(O[*:1])c1C C[C@H](C(=O)NNC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)[*:1]
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C FC(F)(F)c1cnc(c(Cl)c1)[*:1] Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2CCN(CC2)[*:1])c1C
Cc1cccc(-c2nnc3sc(-c4ccco4)nn23)c1 c1coc(c1)[*:1] Cc1cccc(c1)-c1nnc2sc(nn12)[*:1]
CC(C)(C)NC(=O)[C@H]1COc2ccccc2O1 CC(C)(C)[*:1] O=C(N[*:1])[C@H]1COc2ccccc2O1
O=C(Cc1ccccc1C(=O)[O-])Nc1cccc(OC[C@@H]2CCCO2)c1 O=C([O-])[*:1] O=C(Cc1ccccc1[*:1])Nc1cccc(c1)OC[C@@H]1CCCO1
O=C(Cc1ccccc1C(=O)[O-])Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] O=C(Cc1ccccc1C(=O)[O-])Nc1cccc(c1)[*:1]
O=C(Cc1ccccc1C(=O)[O-])Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] O=C(Cc1ccccc1C(=O)[O-])Nc1cccc(c1)O[*:1]
CC[C@H](C)c1ccc(OCc2ccc(C(=O)OC)o2)cc1 CC[C@H](C)[*:1] COC(=O)c1ccc(COc2ccc(cc2)[*:1])o1
CC[C@H](C)c1ccc(OCc2ccc(C(=O)OC)o2)cc1 COC(=O)[*:1] CC[C@H](C)c1ccc(cc1)OCc1ccc(o1)[*:1]
CCOc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O CCO[*:1] O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O O=C1CSC(=O)N1[*:1] CCOc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1[*:1]
O=S(=O)(NCc1ccccc1)c1ccccc1Br c1ccc(cc1)[*:1] O=S(=O)(NC[*:1])c1ccccc1Br
Cc1cnn(CCCCC[NH+](C)C2CCS(=O)CC2)c1 Cc1cnn(c1)[*:1] C[NH+](CCCCC[*:1])C1CCS(=O)CC1
CC(C)c1ncc(CO)n1Cc1c(Cl)cccc1Cl CC(C)[*:1] OCc1cnc(n1Cc1c(Cl)cccc1Cl)[*:1]
CCCCCn1c([O-])c(C(=O)Nc2ccc(C)cc2)c(=O)c2ccccc21 CCC[*:1] Cc1ccc(cc1)NC(=O)c1c([O-])n(CC[*:1])c2ccccc2c1=O
CCCCCn1c([O-])c(C(=O)Nc2ccc(C)cc2)c(=O)c2ccccc21 CCCC[*:1] Cc1ccc(cc1)NC(=O)c1c([O-])n(C[*:1])c2ccccc2c1=O
CCCCCn1c([O-])c(C(=O)Nc2ccc(C)cc2)c(=O)c2ccccc21 Cc1ccc(cc1)[*:1] CCCCCn1c([O-])c(C(=O)N[*:1])c(=O)c2ccccc21
CCCCCn1c([O-])c(C(=O)Nc2ccc(C)cc2)c(=O)c2ccccc21 CCCCC[*:1] Cc1ccc(cc1)NC(=O)c1c([O-])n(c2ccccc2c1=O)[*:1]
Cc1nnc(NC(=O)N[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 c1ccc(cc1)C[*:1] Cc1nnc(NC(=O)N[C@@H](N2C(=O)c3ccccc3C2=O)[*:1])s1
Cc1nnc(NC(=O)N[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 Cc1nnc(s1)[*:1] O=C(N[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N[*:1]
Cc1nnc(NC(=O)N[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)s1 c1ccc(cc1)[*:1] Cc1nnc(NC(=O)N[C@@H](C[*:1])N2C(=O)c3ccccc3C2=O)s1
CCS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[NH+](C)C3)c1 CCS(=O)(=O)[*:1] C[NH+]1CCc2c(C1)sc(NC(=O)c1cccc(c1)[*:1])c2-c1nc2ccccc2s1
CCS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[NH+](C)C3)c1 c1ccc2sc(nc2c1)[*:1] CCS(=O)(=O)c1cccc(c1)C(=O)Nc1sc2C[NH+](C)CCc2c1[*:1]
CCS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[NH+](C)C3)c1 CCS(=O)(=O)c1cccc(c1)[*:1] C[NH+]1CCc2c(C1)sc(NC(=O)[*:1])c2-c1nc2ccccc2s1
COc1ccc(N2C[C@H](C(=O)NCCn3nc(-n4nc(C)cc4C)ccc3=O)CC2=O)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CCNC(=O)[C@@H]2CC(=O)N(C2)[*:1])n1
COc1ccc(N2C[C@H](C(=O)NCCn3nc(-n4nc(C)cc4C)ccc3=O)CC2=O)cc1 Cc1cc(C)n(n1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCCn1nc(ccc1=O)[*:1]
CC(C)c1nc2cc(NC(=O)c3ccccc3S(C)(=O)=O)ccc2o1 CC(C)[*:1] CS(=O)(=O)c1ccccc1C(=O)Nc1ccc2oc(nc2c1)[*:1]
CC(C)c1nc2cc(NC(=O)c3ccccc3S(C)(=O)=O)ccc2o1 CS(=O)(=O)[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)c1ccccc1[*:1]
COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(C)(C)C COC(=O)[*:1] CC(C)(C)[C@H](NC(=O)c1nn(cc1[O-])-c1ccc(F)cc1)[*:1]
COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(C)(C)C Fc1ccc(cc1)[*:1] COC(=O)[C@@H](NC(=O)c1nn(cc1[O-])[*:1])C(C)(C)C
COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(C)(C)C CC(C)(C)[*:1] COC(=O)[C@@H](NC(=O)c1nn(cc1[O-])-c1ccc(F)cc1)[*:1]
CCN(CC)C(=O)N1CCC(C(=O)N(C)Cc2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] CCN(CC)C(=O)N1CCC(CC1)C(=O)N(C)C[*:1]
CCN(CC)C(=O)N1CCC(C(=O)N(C)Cc2ccc(O)cc2)CC1 Oc1ccc(cc1)C[*:1] CCN(CC)C(=O)N1CCC(CC1)C(=O)N(C)[*:1]
CCN(C(=O)[C@H](C)S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 Clc1cccc(Cl)c1[*:1] CCN(C(=O)[C@H](C)S(=O)(=O)C[*:1])c1ccccc1
CCN(C(=O)[C@H](C)S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@H](C)S(=O)(=O)Cc1c(Cl)cccc1Cl)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 Clc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)N1CCC[C@@H]1c1cccc(Cl)c1
C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H]1[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 Clc1ccccc1O[*:1] C[C@@H](C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)[*:1]
COc1cc(C(=O)N2CCC[C@H](c3noc(-c4ccccn4)n3)C2)cc(OC)c1OC c1ccc(nc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N1CCC[C@@H](C1)c1noc(n1)[*:1]
CCOCCCNc1ncnc2c1CCCC2 CCOC[*:1] c1nc2CCCCc2c(n1)NCC[*:1]
CCOCCCNc1ncnc2c1CCCC2 CCOCC[*:1] c1nc2CCCCc2c(n1)NC[*:1]
CCOCCCNc1ncnc2c1CCCC2 CCO[*:1] c1nc2CCCCc2c(n1)NCCC[*:1]
Cc1nnc(NC(=O)CN2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)s1 Cc1nnc(NC(=O)C[*:1])s1 O=C1NC2(CCN(CC2)[*:1])C(=O)N1Cc1ccc(F)cc1
Cc1nnc(NC(=O)CN2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)s1 Fc1ccc(cc1)C[*:1] Cc1nnc(NC(=O)CN2CCC3(CC2)NC(=O)N(C3=O)[*:1])s1
Cc1nnc(NC(=O)CN2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)s1 Fc1ccc(cc1)[*:1] Cc1nnc(NC(=O)CN2CCC3(CC2)NC(=O)N(C[*:1])C3=O)s1
Cc1nnc(NC(=O)CN2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)s1 Cc1nnc(NC(=O)[*:1])s1 O=C1NC2(CCN(CC2)C[*:1])C(=O)N1Cc1ccc(F)cc1
Cc1nnc(NC(=O)CN2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)s1 Cc1nnc(s1)[*:1] O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)N[*:1]
COc1ccccc1CNC(=O)N1CCC([C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1CNC(=O)N1CCC(CC1)[C@@H](O)[*:1]
COc1ccccc1CNC(=O)N1CCC([C@@H](O)c2ccccc2)CC1 COc1ccccc1[*:1] O=C(NC[*:1])N1CCC(CC1)[C@@H](O)c1ccccc1
COc1ccccc1CNC(=O)N1CCC([C@@H](O)c2ccccc2)CC1 O[C@@H](c1ccccc1)[*:1] COc1ccccc1CNC(=O)N1CCC(CC1)[*:1]
Cn1ncc2c(SCc3nnnn3C3CC3)ncnc21 C1CC1[*:1] Cn1ncc2c(ncnc21)SCc1nnnn1[*:1]
CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(C)c2)C(C#N)=C(N)O1 CCOC(=O)[*:1] CCCC1OC(N)=C(C#N)[C@H](C=1[*:1])c1ccc(OC)c(C)c1
CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(C)c2)C(C#N)=C(N)O1 CCC[*:1] CCOC(=O)C1=C(OC(N)=C(C#N)[C@H]1c1ccc(OC)c(C)c1)[*:1]
Cc1cc(C)n(-c2ccc(-c3noc(-c4ccnnc4)n3)cn2)n1 Cc1cc(C)n(n1)[*:1] c1cc(cnn1)-c1nc(no1)-c1ccc(nc1)[*:1]
Cc1cc(C)n(-c2ccc(-c3noc(-c4ccnnc4)n3)cn2)n1 c1cc(cnn1)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)-c1noc(n1)[*:1]
CCc1nn(C)cc1NC(=O)Nc1ccc2oc(COC)nc2c1 CCc1nn(C)cc1[*:1] COCc1nc2cc(ccc2o1)NC(=O)N[*:1]
CCc1nn(C)cc1NC(=O)Nc1ccc2oc(COC)nc2c1 COC[*:1] CCc1nn(C)cc1NC(=O)Nc1ccc2oc(nc2c1)[*:1]
CC(C)(O)CNC(=O)c1ccc(F)c(F)c1F CC(C)(O)[*:1] O=C(NC[*:1])c1ccc(F)c(F)c1F
CC(C)(O)CNC(=O)c1ccc(F)c(F)c1F CC(C)(O)C[*:1] O=C(N[*:1])c1ccc(F)c(F)c1F
CNC(=O)[C@H]1CCCCN1C(=O)CN(C)C(=O)OC(C)(C)C CNC(=O)[*:1] CN(CC(=O)N1CCCC[C@@H]1[*:1])C(=O)OC(C)(C)C
CNC(=O)[C@H]1CCCCN1C(=O)CN(C)C(=O)OC(C)(C)C CC(C)(C)[*:1] CNC(=O)[C@H]1CCCCN1C(=O)CN(C)C(=O)O[*:1]
COc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)C2CC2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(C)c2nc(Cl)c(cc2c1)CN(C[*:1])C(=O)C1CC1
COc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)C2CC2)cc1OC C1CC1[*:1] COc1ccc(cc1OC)CN(Cc1cc2cc(C)cc(C)c2nc1Cl)C(=O)[*:1]
O=C(Nc1ccsc1-c1nnc(C2CC2)o1)c1ccc(Cl)cc1 C1CC1[*:1] O=C(Nc1ccsc1-c1nnc(o1)[*:1])c1ccc(Cl)cc1
O=C(Nc1ccsc1-c1nnc(C2CC2)o1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccsc1-c1nnc(o1)C1CC1)[*:1]
Cc1nc(C2CCN(C(=O)CN3CCCOC3=O)CC2)no1 O=C1OCCCN1[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)C[*:1]
Cc1nc(C2CCN(C(=O)CN3CCCOC3=O)CC2)no1 Cc1nc(no1)[*:1] O=C(CN1CCCOC1=O)N1CCC(CC1)[*:1]
C[C@@](O)(CNC(=O)c1cnccn1)CN1CCOCC1 c1cnc(cn1)[*:1] C[C@@](O)(CNC(=O)[*:1])CN1CCOCC1
C[C@@](O)(CNC(=O)c1cnccn1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@](O)(CNC(=O)c1cnccn1)C[*:1]
CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 CC(C)S(=O)(=O)[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(cc1)[*:1]
CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 CC(C)[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(cc1)S(=O)(=O)[*:1]
Cc1cc(C)c(-c2csc(NC(=O)c3cccc(N(C)C)c3)n2)cc1C CN(C)[*:1] Cc1cc(C)c(cc1C)-c1csc(n1)NC(=O)c1cccc(c1)[*:1]
CCC[C@@H](C)c1nc(N2CCN(C(=O)[C@@H](C)Cl)CC2)c2cnn(-c3ccccc3)c2n1 CCC[C@@H](C)[*:1] C[C@@H](Cl)C(=O)N1CCN(CC1)c1nc(nc2c1cnn2-c1ccccc1)[*:1]
CCC[C@@H](C)c1nc(N2CCN(C(=O)[C@@H](C)Cl)CC2)c2cnn(-c3ccccc3)c2n1 C[C@@H](Cl)[*:1] CCC[C@@H](C)c1nc(c2cnn(-c3ccccc3)c2n1)N1CCN(CC1)C(=O)[*:1]
CCC[C@@H](C)c1nc(N2CCN(C(=O)[C@@H](C)Cl)CC2)c2cnn(-c3ccccc3)c2n1 CCC[*:1] C[C@@H](Cl)C(=O)N1CCN(CC1)c1nc(nc2c1cnn2-c1ccccc1)[C@H](C)[*:1]
CCC[C@@H](C)c1nc(N2CCN(C(=O)[C@@H](C)Cl)CC2)c2cnn(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] CCC[C@@H](C)c1nc(c2cnn(c2n1)[*:1])N1CCN(CC1)C(=O)[C@@H](C)Cl
Cc1cc(C)cc(NC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)c1 Cc1cc(C)cc(c1)[*:1] O=C(CCCN1C(=O)[C@@H](Oc2cccnc21)c1ccccc1)N[*:1]
Cc1cc(C)cc(NC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CCCN1C(=O)[C@H](Oc2cccnc21)[*:1]
Cc1cc(C(=O)NCCCn2cnc3ccccc32)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)NCCCn2cnc3ccccc32)c(C)n1[*:1]
CCCCCC[C@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 CCCCC[*:1] C[C@@H](C[*:1])NC(=O)N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CCCCCC[C@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 CCCC[*:1] C[C@@H](CC[*:1])NC(=O)N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CCCCCC[C@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 CCC[*:1] C[C@@H](CCC[*:1])NC(=O)N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CCCCCC[C@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 CCCCCC[*:1] C[C@H](NC(=O)N1CCC[C@@H](C1)c1[nH]cc[nH+]1)[*:1]
CCN1CC(=O)Nc2cc(C(=O)N(C)Cc3ccc(SC)cc3)ccc21 CSc1ccc(cc1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N(C)C[*:1]
COC(=O)c1c(C)[nH]c(C(=O)COc2ccc(NC(C)=O)cc2)c1C COC(=O)[*:1] CC(=O)Nc1ccc(cc1)OCC(=O)c1[nH]c(C)c(c1C)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)COc2ccc(NC(C)=O)cc2)c1C CC(=O)N[*:1] COC(=O)c1c(C)[nH]c(C(=O)COc2ccc(cc2)[*:1])c1C
CCc1cc(N[C@H](c2ccccn2)C(C)C)nc(-c2ccncc2)n1 c1ccc(nc1)[*:1] CCc1cc(nc(n1)-c1ccncc1)N[C@H](C(C)C)[*:1]
CCc1cc(N[C@H](c2ccccn2)C(C)C)nc(-c2ccncc2)n1 CC(C)[*:1] CCc1cc(nc(n1)-c1ccncc1)N[C@H](c1ccccn1)[*:1]
CCc1cc(N[C@H](c2ccccn2)C(C)C)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CCc1cc(nc(n1)[*:1])N[C@H](c1ccccn1)C(C)C
CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(c2ccc(cc2)OC)[C@@H]1[*:1]
CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N([C@H]1c1ccc(cc1)OC)[*:1]
CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 CCN(CC)C(=O)[*:1] COc1ccc(cc1)[C@H]1[C@@H](c2ccccc2C(=O)N1c1ccc(cc1)OC)[*:1]
Cc1sc(NC(=O)CSc2cn[nH]n2)c(C)c1C c1n[nH]nc1[*:1] Cc1sc(NC(=O)CS[*:1])c(C)c1C
Cc1sc(NC(=O)CSc2cn[nH]n2)c(C)c1C c1n[nH]nc1S[*:1] Cc1sc(NC(=O)C[*:1])c(C)c1C
O=C(NCc1ccccc1)NC[C@@H]1COc2ccccc2O1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1COc2ccccc2O1)N[*:1]
O=C(NCc1ccccc1)NC[C@@H]1COc2ccccc2O1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1COc2ccccc2O1)NC[*:1]
Cc1cc(C)n2nc(SCC(=O)N(C3CCC(C)CC3)C3CC3)nc2n1 C1CC1[*:1] Cc1cc(C)n2nc(nc2n1)SCC(=O)N(C1CCC(C)CC1)[*:1]
Cc1cc(C)n2nc(SCC(=O)N(C3CCC(C)CC3)C3CC3)nc2n1 CC1CCC(CC1)[*:1] Cc1cc(C)n2nc(nc2n1)SCC(=O)N(C1CC1)[*:1]
COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)o2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nnc(o1)[*:1])c1ccc(Cl)c(Cl)c1
COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)o2)cc1 Clc1ccc(cc1Cl)[*:1] COc1ccc(cc1)-c1nnc(o1)SCC(=O)N[C@H](C)[*:1]
Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 Cc1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1)[*:1]
Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)[C@@H]1CN(C(C)=O)C[C@@H]1C COC(=O)[*:1] CC(=O)N1C[C@H]([C@@H](C)C1)[*:1]
CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O FC(F)(F)[*:1] CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cccc(c2)[*:1])c1=O
CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O FC(F)(F)c1cccc(c1)[*:1] CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1-c1ccccc1 O=[N+]([O-])[*:1] COc1ccc(cc1NCC(=O)Nc1ccccc1-c1ccccc1)[*:1]
COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1NCC(=O)Nc1ccccc1[*:1])[N+](=O)[O-]
CCc1nc(C(=O)Nc2cc(NC(C)=O)ccc2F)n[nH]1 CC(=O)N[*:1] CCc1nc(n[nH]1)C(=O)Nc1cc(ccc1F)[*:1]
CCc1nc(C(=O)Nc2cc(NC(C)=O)ccc2F)n[nH]1 CCc1nc(n[nH]1)[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)[*:1]
CCc1[nH+]ccn1CCN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] CCc1[nH+]ccn1CCN1CCN(CC1)C(=O)/C=C/c1ccc(cc1)[*:1]
CCc1[nH+]ccn1CCN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] CCc1[nH+]ccn1CCN1CCN(CC1)C(=O)C=C[*:1]
O=C(NCc1csc(-c2ccccc2)n1)c1nc2ncccn2n1 c1ccc(cc1)[*:1] O=C(NCc1csc(n1)[*:1])c1nc2ncccn2n1
Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c(C)c1 C1CC(CCO1)[*:1] Cc1cc(C)c(c(C)c1)[C@@H](C)[NH2+]C[C@H](O)[*:1]
Cc1nccn1-c1ccc(NC(=O)C(=O)NC2CCCCC2)cn1 Cc1nccn1[*:1] O=C(Nc1ccc(nc1)[*:1])C(=O)NC1CCCCC1
Cc1nccn1-c1ccc(NC(=O)C(=O)NC2CCCCC2)cn1 C1CCC(CC1)[*:1] Cc1nccn1-c1ccc(cn1)NC(=O)C(=O)N[*:1]
Cc1ccc(C)c(CSCC(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)CSCC(=O)N[*:1]
Cc1ccc(C)c(CSCC(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)CSCC(=O)NC[*:1]
C/[NH+]=C(/NCc1cccc(C)c1)N[C@H](C)COC COC[*:1] C/[NH+]=C(/NCc1cccc(C)c1)N[C@H](C)[*:1]
C/[NH+]=C(/NCc1cccc(C)c1)N[C@H](C)COC COC[C@@H](C)[*:1] C/[NH+]=C(/NCc1cccc(C)c1)N[*:1]
CCC1CCC(NS(=O)(=O)c2cc(C(=O)OC)n(C)c2)CC1 COC(=O)[*:1] CCC1CCC(CC1)NS(=O)(=O)c1cc(n(C)c1)[*:1]
Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCNC4=O)cnc32)c1 Cc1cc(C)cc(c1)[*:1] O=C(Cn1cnc2c(cnn2[*:1])c1=O)N1CCNC1=O
Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCNC4=O)cnc32)c1 O=C(C[*:1])N1CCNC1=O Cc1cc(C)cc(c1)-n1ncc2c(=O)n(cnc21)[*:1]
Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCNC4=O)cnc32)c1 O=C1NCCN1C(=O)[*:1] Cc1cc(C)cc(c1)-n1ncc2c(=O)n(cnc21)C[*:1]
CN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@H](C[NH3+])O1 C[NH+](C)CC[*:1] CN(C[*:1])C(=O)[C@H]1CC[C@H](C[NH3+])O1
Cc1ccc(C(=O)N2CCCC2)c(C2CCN(C(=O)c3ccoc3)CC2)n1 c1cc(co1)[*:1] Cc1ccc(C(=O)N2CCCC2)c(n1)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCCC2)c(C2CCN(C(=O)c3ccoc3)CC2)n1 O=C(N1CCCC1)[*:1] Cc1ccc(c(n1)C1CCN(CC1)C(=O)c1ccoc1)[*:1]
CC(C)OCCCNC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 CC(C)OCC[*:1] C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CC2)C(=O)NC[*:1])[C@@H]1C
CC(C)OCCCNC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 CC(C)[*:1] C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CC2)C(=O)NCCCO[*:1])[C@@H]1C
CC(C)OCCCNC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 CC(C)OCCC[*:1] C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CC2)C(=O)N[*:1])[C@@H]1C
CC(C)OCCCNC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 CC(C)OC[*:1] C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CC2)C(=O)NCC[*:1])[C@@H]1C
CC(C)OCCCNC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 CC(C)O[*:1] C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CC2)C(=O)NCCC[*:1])[C@@H]1C
COc1ccc(CNc2nc(N3CCN(c4cccc[nH+]4)CC3)[nH+]c3ccccc23)cc1 COc1ccc(cc1)CN[*:1] c1ccc([nH+]c1)N1CCN(CC1)c1nc(c2ccccc2[nH+]1)[*:1]
COc1ccc(CNc2nc(N3CCN(c4cccc[nH+]4)CC3)[nH+]c3ccccc23)cc1 COc1ccc(cc1)[*:1] c1ccc([nH+]c1)N1CCN(CC1)c1nc(NC[*:1])c2ccccc2[nH+]1
COc1ccc(CNc2nc(N3CCN(c4cccc[nH+]4)CC3)[nH+]c3ccccc23)cc1 COc1ccc(cc1)C[*:1] c1ccc([nH+]c1)N1CCN(CC1)c1nc(N[*:1])c2ccccc2[nH+]1
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H]1c2ccccc2O[C@@H]2C=CC=C[C@H]12 CCOC(=O)[*:1] O=C(Nc1c([nH]c2ccccc12)[*:1])[C@@H]1c2ccccc2O[C@@H]2C=CC=C[C@H]12
Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)cc1C CN(C)C(=O)[*:1] Cc1ccc(cc1C)C(=O)CCC(=O)Nc1ccc(F)c(c1)[*:1]
Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)cc1C Cc1ccc(cc1C)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)CCC(=O)[*:1]
CCN(CC)S(=O)(=O)c1cc(C)c(C)c([N-]S(=O)(=O)c2ccccc2Br)c1 CCN(CC)S(=O)(=O)[*:1] Cc1cc(cc([N-]S(=O)(=O)c2ccccc2Br)c1C)[*:1]
CCN(CC)S(=O)(=O)c1cc(C)c(C)c([N-]S(=O)(=O)c2ccccc2Br)c1 Brc1ccccc1[*:1] CCN(CC)S(=O)(=O)c1cc(C)c(C)c(c1)[N-]S(=O)(=O)[*:1]
C[C@@H]([NH2+]CC1=C(c2ccc(Cl)cc2)N=NC1)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@@H]([NH2+]CC1CN=NC=1[*:1])c1ccccc1
C[C@@H]([NH2+]CC1=C(c2ccc(Cl)cc2)N=NC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]CC1CN=NC=1c1ccc(Cl)cc1)[*:1]
Cc1ccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)c(C)c1 Cc1nc(cs1)[*:1] Cc1ccc(NC(=O)c2ccc(cc2)[*:1])c(C)c1
Cc1nnc(NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c(C#N)c1C CN(C)C(=O)[*:1] Cc1nnc(NC[C@H]2CC[C@H](O2)[*:1])c(C#N)c1C
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 Clc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1N=C(C[C@@H]1c1ccco1)[*:1]
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 C1CC1[*:1] C[C@@H](Sc1nnc(n1C1CC1)[*:1])C(=O)N1N=C(C[C@@H]1c1ccco1)c1ccc(Cl)cc1
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 C1CC1c1nnc(n1C1CC1)[*:1] C[C@@H](S[*:1])C(=O)N1N=C(C[C@@H]1c1ccco1)c1ccc(Cl)cc1
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 C1CC1[*:1] C[C@@H](Sc1nnc(C2CC2)n1[*:1])C(=O)N1N=C(C[C@@H]1c1ccco1)c1ccc(Cl)cc1
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 c1coc(c1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1N=C(C[C@H]1[*:1])c1ccc(Cl)cc1
C[NH+]1CCC(NC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CC1 c1ccc(C[*:1])nc1 C[NH+]1CCC(CC1)NC(=O)Nc1ccc(O[*:1])c(Cl)c1
C[NH+]1CCC(NC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CC1 c1ccc(nc1)[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1ccc(OC[*:1])c(Cl)c1
C[NH+]1CCC(NC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CC1 c1ccc(CO[*:1])nc1 C[NH+]1CCC(CC1)NC(=O)Nc1ccc(c(Cl)c1)[*:1]
CC[NH+]1CCN(c2cc(C[NH2+][C@@H](c3ccccc3C)C3CC3)ccn2)CC1 C1CC1[*:1] CC[NH+]1CCN(CC1)c1cc(ccn1)C[NH2+][C@@H](c1ccccc1C)[*:1]
CC[NH+]1CCN(c2cc(C[NH2+][C@@H](c3ccccc3C)C3CC3)ccn2)CC1 Cc1ccccc1[*:1] CC[NH+]1CCN(CC1)c1cc(ccn1)C[NH2+][C@@H](C1CC1)[*:1]
CSc1ccc(C[NH2+]Cc2ccc(NC(C)=O)cc2)cc1 CC(=O)N[*:1] CSc1ccc(cc1)C[NH2+]Cc1ccc(cc1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C2=Cc3ccccc3OC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)OC(=O)C2=Cc3ccccc3OC2)c(C)c1[*:1]
O=S(=O)(/N=C(\[O-])c1cc(F)cc(Br)c1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])c1cc(F)cc(Br)c1)[*:1]
C#CCN1CCC(C(=O)N[C@H]2CCCc3ccc(F)cc32)CC1 C#CC[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)C1CCN(CC1)[*:1]
Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)[*:1]
Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 Cc1noc(C)c1[*:1] C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)[*:1]
Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C1CC1)[*:1]
O=C([O-])COc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2-c2ccccc2)C3=O)c1 c1ccc(cc1)-c1ccccc1[*:1] O=C([O-])COc1cccc(c1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C([O-])COc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2-c2ccccc2)C3=O)c1 O=C([O-])[*:1] O=C(Nc1cccc(c1)OC[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1-c1ccccc1
O=C([O-])COc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2-c2ccccc2)C3=O)c1 c1ccc(cc1)[*:1] O=C([O-])COc1cccc(c1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1[*:1]
O=C([O-])COc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2-c2ccccc2)C3=O)c1 O=C([O-])C[*:1] O=C(Nc1cccc(c1)O[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1-c1ccccc1
O=C([O-])COc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2-c2ccccc2)C3=O)c1 O=C([O-])CO[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1-c1ccccc1
Cc1ccccc1C[NH+]1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 FC(F)(F)[*:1] Cc1ccccc1C[NH+]1CCC(CC1)c1cc(n2ncnc2n1)[*:1]
Cc1ccccc1C[NH+]1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 Cc1ccccc1C[*:1] FC(F)(F)c1cc(nc2ncnn12)C1CC[NH+](CC1)[*:1]
Cc1ccccc1C[NH+]1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 Cc1ccccc1[*:1] FC(F)(F)c1cc(nc2ncnn12)C1CC[NH+](CC1)C[*:1]
[NH3+][C@H](c1ccsc1)c1cc(F)cc(Br)c1 c1cc(cs1)[*:1] [NH3+][C@H](c1cc(F)cc(Br)c1)[*:1]
CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cs1 CCO[C@@H](C)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)Cc1csc(n1)[*:1]
CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cs1 CCO[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)Cc1csc(n1)[C@H](C)[*:1]
CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cs1 C[C@H]1C[C@H]1[*:1] CCO[C@@H](C)c1nc(cs1)CN1CCN(CC1)C(=O)[*:1]
CCCN(CCO)C(=O)N[C@H]1CCc2c(O)cccc21 OCC[*:1] CCCN(C(=O)N[C@H]1CCc2c(O)cccc21)[*:1]
CCCN(CCO)C(=O)N[C@H]1CCc2c(O)cccc21 CCC[*:1] O=C(N[C@H]1CCc2c(O)cccc21)N(CCO)[*:1]
Cn1cc(C(=O)Nc2ccccc2)c2nc([O-])n(-c3ccc(F)cc3)c(=O)c21 c1ccc(cc1)[*:1] Cn1cc(C(=O)N[*:1])c2nc([O-])n(-c3ccc(F)cc3)c(=O)c21
Cn1cc(C(=O)Nc2ccccc2)c2nc([O-])n(-c3ccc(F)cc3)c(=O)c21 O=C(Nc1ccccc1)[*:1] Cn1cc(c2nc([O-])n(-c3ccc(F)cc3)c(=O)c21)[*:1]
Cn1cc(C(=O)Nc2ccccc2)c2nc([O-])n(-c3ccc(F)cc3)c(=O)c21 Fc1ccc(cc1)[*:1] Cn1cc(C(=O)Nc2ccccc2)c2nc([O-])n(c(=O)c21)[*:1]
CC(=O)Oc1ccc(C(=O)n2c(C)nc3ccccc32)cc1 CC(=O)O[*:1] Cc1nc2ccccc2n1C(=O)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1cccc2cc[nH]c12)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cccc2cc[nH]c12)C(=O)N[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1 N#Cc1ccccc1[*:1] O=C(NC1CCCCC1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1 C1CCC(CC1)[*:1] N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COC(=O)C[C@@H]1CCCCN1c1ncc(Cl)cc1F COC(=O)[*:1] Fc1cc(Cl)cnc1N1CCCC[C@H]1C[*:1]
COC(=O)C[C@@H]1CCCCN1c1ncc(Cl)cc1F COC(=O)C[*:1] Fc1cc(Cl)cnc1N1CCCC[C@H]1[*:1]
CC(C)(C)c1noc(COc2ccc(Cl)cc2C(N)=O)n1 NC(=O)[*:1] CC(C)(C)c1noc(COc2ccc(Cl)cc2[*:1])n1
CC(C)(C)c1noc(COc2ccc(Cl)cc2C(N)=O)n1 CC(C)(C)[*:1] NC(=O)c1cc(Cl)ccc1OCc1nc(no1)[*:1]
CN(C)c1cc2c([nH+]n1)CCN(C(=O)CCCc1ccccn1)C2 c1ccc(CC[*:1])nc1 CN(C)c1cc2CN(CCc2[nH+]n1)C(=O)C[*:1]
CN(C)c1cc2c([nH+]n1)CCN(C(=O)CCCc1ccccn1)C2 CN(C)[*:1] O=C(CCCc1ccccn1)N1CCc2[nH+]nc(cc2C1)[*:1]
CN(C)c1cc2c([nH+]n1)CCN(C(=O)CCCc1ccccn1)C2 c1ccc(nc1)[*:1] CN(C)c1cc2CN(CCc2[nH+]n1)C(=O)CCC[*:1]
CN(C)c1cc2c([nH+]n1)CCN(C(=O)CCCc1ccccn1)C2 c1ccc(C[*:1])nc1 CN(C)c1cc2CN(CCc2[nH+]n1)C(=O)CC[*:1]
CCOc1ccc(NC(=O)N[C@H]2CCC[C@@H]([S@@](=O)CC)C2)cc1 CCO[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)Nc1ccc(cc1)[*:1]
Cc1ccsc1CCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 Cc1ccsc1[*:1] C[C@@H]1CSc2ccc(cc2NC1=O)S(=O)(=O)NCC[*:1]
Cc1ccsc1CCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 Cc1ccsc1CC[*:1] C[C@@H]1CSc2ccc(cc2NC1=O)S(=O)(=O)N[*:1]
Cc1ccsc1CCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 Cc1ccsc1C[*:1] C[C@@H]1CSc2ccc(cc2NC1=O)S(=O)(=O)NC[*:1]
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1 c1nc(c2ccsc2n1)[*:1] CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1 c1ccc(cc1)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(cc1)C(=O)Nc1ncnc2sccc12
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1 c1ccc(cc1)C[*:1] CCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1ncnc2sccc12)[*:1]
COc1ccc(F)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(F)cc1NC(=O)c1ccc(Cl)cc1[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H](C)Oc1ccccc1F Fc1ccccc1[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H](C)O[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H](C)Oc1ccccc1F Fc1ccccc1O[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H](C)[*:1]
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(CC1CCC1)c1ccccc1 O=[N+]([O-])[*:1] O=C(Cn1cc(ccc1=O)[*:1])N(CC1CCC1)c1ccccc1
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(CC1CCC1)c1ccccc1 C1CC(C1)[*:1] O=C(Cn1cc(ccc1=O)[N+](=O)[O-])N(C[*:1])c1ccccc1
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(CC1CCC1)c1ccccc1 C1CC(C1)C[*:1] O=C(Cn1cc(ccc1=O)[N+](=O)[O-])N(c1ccccc1)[*:1]
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(CC1CCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cc(ccc1=O)[N+](=O)[O-])N(CC1CCC1)[*:1]
O=C(Nc1cc(-c2ccc(Cl)s2)[nH]n1)c1scnc1C1CC1 C1CC1[*:1] O=C(Nc1cc([nH]n1)-c1ccc(Cl)s1)c1scnc1[*:1]
O=C(Nc1cc(-c2ccc(Cl)s2)[nH]n1)c1scnc1C1CC1 Clc1ccc(s1)[*:1] O=C(Nc1cc([nH]n1)[*:1])c1scnc1C1CC1
COc1ccc(OC)c(CCNC(=O)c2cc(C)nc3c2c(=O)n(C)c(=O)n3C)c1 COc1ccc(OC)c(c1)[*:1] Cc1cc(C(=O)NCC[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
COc1cc(CC[NH2+][C@H](C)c2ccccc2N(C)C)ccc1O CN(C)[*:1] COc1cc(ccc1O)CC[NH2+][C@H](C)c1ccccc1[*:1]
C#CC[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F C#CC[*:1] C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F)[*:1]
C#CC[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] C#CC[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)[*:1]
NC(=O)CCNC(=O)CN1CCOc2ccc(Cl)cc21 NC(=O)[*:1] O=C(CN1CCOc2ccc(Cl)cc21)NCC[*:1]
NC(=O)CCNC(=O)CN1CCOc2ccc(Cl)cc21 NC(=O)CC[*:1] O=C(CN1CCOc2ccc(Cl)cc21)N[*:1]
NC(=O)CCNC(=O)CN1CCOc2ccc(Cl)cc21 NC(=O)C[*:1] O=C(CN1CCOc2ccc(Cl)cc21)NC[*:1]
CC(C)(CNC(=O)C(=O)Nc1cc(F)cc(F)c1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CC(C)(CNC(=O)C(=O)Nc1cc(F)cc(F)c1)[*:1]
CC(C)(CNC(=O)C(=O)Nc1cc(F)cc(F)c1)c1ccc2c(c1)OCO2 Fc1cc(F)cc(c1)[*:1] CC(C)(CNC(=O)C(=O)N[*:1])c1ccc2OCOc2c1
CCCN(CC(C)(C)C[NH3+])C(=O)c1ccccc1C CCC[*:1] Cc1ccccc1C(=O)N(CC(C)(C)C[NH3+])[*:1]
CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1 c1cncc(c1)[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1ccc(F)cc1F
CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1 Fc1ccc(c(F)c1)[*:1] CCn1c(nnc1-c1cccnc1)S[C@H](C)C(=O)N[*:1]
CC(C)n1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)c2ccccc21 CC(C)[*:1] c1ccc(nc1)-n1ncc2c1CCC[C@H]2[NH2+]Cc1cn(c2ccccc12)[*:1]
CC(C)n1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)c2ccccc21 c1ccc(nc1)[*:1] CC(C)n1cc(C[NH2+][C@@H]2CCCc3c2cnn3[*:1])c2ccccc21
C/C(=C/C(=O)NCc1n[nH]c(=S)n1C)c1cccc(C(F)(F)F)c1 Cn1c(n[nH]c1=S)[*:1] C/C(=C/C(=O)NC[*:1])c1cccc(c1)C(F)(F)F
C/C(=C/C(=O)NCc1n[nH]c(=S)n1C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C/C(=C/C(=O)NCc1n[nH]c(=S)n1C)c1cccc(c1)[*:1]
C/C(=C/C(=O)NCc1n[nH]c(=S)n1C)c1cccc(C(F)(F)F)c1 Cn1c(C[*:1])n[nH]c1=S C/C(=C/C(=O)N[*:1])c1cccc(c1)C(F)(F)F
O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cccs1 c1csc(c1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCN(CC1)c1ccc(F)cc1)N[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cccs1 O=C(Nc1cccs1)N[*:1] Fc1ccc(cc1)N1CC[NH+](CC1)[C@H](C[*:1])c1ccco1
O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cccs1 Fc1ccc(cc1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCN(CC1)[*:1])Nc1cccs1
O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cccs1 c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCN(CC1)c1ccc(F)cc1)[*:1])Nc1cccs1
C[C@@H]1CSC(SCc2c(F)cccc2[N+](=O)[O-])=N1 O=[N+]([O-])[*:1] C[C@@H]1CSC(=N1)SCc1c(F)cccc1[*:1]
O=C(c1cc2ccccn2n1)N1CCC(c2cc(=O)[nH]cn2)CC1 O=c1cc(nc[nH]1)[*:1] O=C(c1cc2ccccn2n1)N1CCC(CC1)[*:1]
Cc1cc(C[C@@H](C)N[C@@H](C)c2ccncc2)n(-c2ccccc2)n1 c1cc(ccn1)[*:1] Cc1cc(C[C@@H](C)N[C@@H](C)[*:1])n(n1)-c1ccccc1
Cc1cc(C[C@@H](C)N[C@@H](C)c2ccncc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C[C@@H](C)N[C@@H](C)c2ccncc2)n(n1)[*:1]
Cc1cc(C[C@@H](C)N[C@@H](C)c2ccncc2)n(-c2ccccc2)n1 C[C@@H](c1ccncc1)[*:1] Cc1cc(C[C@@H](C)N[*:1])n(n1)-c1ccccc1
CC(C)c1nnnn1CC(=O)Nc1ccccc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CC(C)c1nnnn1CC(=O)Nc1ccccc1[*:1]
CC(C)c1nnnn1CC(=O)Nc1ccccc1C(=O)N1CCCCC1 CC(C)c1nnnn1[*:1] O=C(C[*:1])Nc1ccccc1C(=O)N1CCCCC1
CC(C)c1nnnn1CC(=O)Nc1ccccc1C(=O)N1CCCCC1 CC(C)[*:1] O=C(Cn1nnnc1[*:1])Nc1ccccc1C(=O)N1CCCCC1
CCOC(=O)NC(=O)COC(=O)c1ccco1 c1coc(c1)[*:1] CCOC(=O)NC(=O)COC(=O)[*:1]
NC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)CCCC3)c1 NC(=O)[*:1] O=C(Cc1ccc2CCCCc2c1)Nc1cccc(c1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2ncoc2CC)CC1 CCOC(=O)[*:1] CCc1ocnc1C(=O)N1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2ncoc2CC)CC1 CCc1ocnc1[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[*:1]
CCCCN(CC)C(=O)c1cn(C2C[NH2+]C2)nn1 CCC[*:1] CCN(C[*:1])C(=O)c1cn(nn1)C1C[NH2+]C1
CCCCN(CC)C(=O)c1cn(C2C[NH2+]C2)nn1 CCCC[*:1] CCN(C(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
N#Cc1ccccc1OC(=O)c1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] N#Cc1ccccc1OC(=O)c1cccc(c1)[*:1]
CC[C@H](C)C(=O)NC(C)(C)c1ccc(F)cc1Cl CC[C@H](C)[*:1] CC(C)(NC(=O)[*:1])c1ccc(F)cc1Cl
CS(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)CC1 c1ccc2oc(cc2c1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](c1ccccc1)[*:1]
CS(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](c1cc2ccccc2o1)[*:1]
CCC[C@H]1CCC(=O)[C@H](Cc2ccc(O)cc2)C1 CCC[*:1] O=C1CC[C@@H](C[C@H]1Cc1ccc(O)cc1)[*:1]
CC(C)(CCO)c1cc(Cl)sc1Cl OCC[*:1] CC(C)(c1cc(Cl)sc1Cl)[*:1]
C[C@@H](CC(=O)N[C@@H](CO)c1ccccc1F)C(=O)c1cccc(F)c1 Fc1ccccc1[*:1] C[C@@H](CC(=O)N[C@@H](CO)[*:1])C(=O)c1cccc(F)c1
C[C@@H](CC(=O)N[C@@H](CO)c1ccccc1F)C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](CC(=O)N[C@@H](CO)c1ccccc1F)C(=O)[*:1]
CCN(CC)c1ccc(/C=N\c2ccc3c(c2)=[NH+]C(=O)[NH+]=3)cc1 CCN(CC)[*:1] O=C1[NH+]=c2ccc(cc2=[NH+]1)/N=C\c1ccc(cc1)[*:1]
CCN(Cc1nnc(-c2ccccc2F)o1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(Cc1nnc(o1)-c1ccccc1F)[*:1]
CCN(Cc1nnc(-c2ccccc2F)o1)c1ccc(F)cc1 Fc1ccccc1[*:1] CCN(Cc1nnc(o1)[*:1])c1ccc(F)cc1
CC[C@H](C)NC(=O)[C@H](C)[NH2+]CC1CCC1 CC[C@H](C)[*:1] C[C@H]([NH2+]CC1CCC1)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)[NH2+]CC1CCC1 C1CC(C1)[*:1] CC[C@H](C)NC(=O)[C@H](C)[NH2+]C[*:1]
CC[C@H](C)NC(=O)[C@H](C)[NH2+]CC1CCC1 C1CC(C1)C[*:1] CC[C@H](C)NC(=O)[C@H](C)[NH2+][*:1]
C=CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 Fc1ccc(cc1)[*:1] C=CCNC(=O)C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
C=CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 C=CC[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1-c1ccc(F)cc1)C(=O)N[*:1]
COc1ccc(/[NH+]=c2\oc3c(OC)cccc3cc2C(=O)NC[C@@H]2CCCO2)cc1F C1CO[C@@H](C1)C[*:1] COc1ccc(cc1F)/[NH+]=c1\oc2c(cccc2cc1C(=O)N[*:1])OC
COc1ccc(/[NH+]=c2\oc3c(OC)cccc3cc2C(=O)NC[C@@H]2CCCO2)cc1F O=C(NC[C@@H]1CCCO1)[*:1] COc1ccc(cc1F)/[NH+]=c1\oc2c(cccc2cc1[*:1])OC
COc1ccc(/[NH+]=c2\oc3c(OC)cccc3cc2C(=O)NC[C@@H]2CCCO2)cc1F C1CO[C@@H](C1)[*:1] COc1ccc(cc1F)/[NH+]=c1\oc2c(cccc2cc1C(=O)NC[*:1])OC
CNc1nc(CNc2nnc(C(C)(C)C)s2)cs1 CC(C)(C)[*:1] CNc1nc(cs1)CNc1nnc(s1)[*:1]
CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccn1)N1CCOCC1 c1ccc(nc1)[*:1] CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)[*:1])N1CCOCC1
CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccn1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccn1)[*:1]
CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccn1)N1CCOCC1 CC(C)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
Cc1ccc(-c2ccc(/C(=C(\C#N)c3nc4ccccc4s3)n3[nH]c(=O)cc3N)o2)cc1Cl Cc1ccc(cc1Cl)[*:1] N#C/C(=C(\c1ccc(o1)[*:1])n1[nH]c(=O)cc1N)c1nc2ccccc2s1
Cc1ccc(-c2ccc(/C(=C(\C#N)c3nc4ccccc4s3)n3[nH]c(=O)cc3N)o2)cc1Cl c1ccc2sc(nc2c1)[*:1] Cc1ccc(cc1Cl)-c1ccc(o1)C(=C(C#N)[*:1])n1[nH]c(=O)cc1N
O=C([O-])C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccs1 c1csc(c1)[*:1] O=C([O-])C[C@@H](NC(=O)C1CCN(CC1)C(=O)[*:1])c1cccs1
O=C([O-])C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccs1 O=C([O-])C[*:1] O=C(N[C@@H](c1cccs1)[*:1])C1CCN(CC1)C(=O)c1cccs1
O=C([O-])C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccs1 c1csc(c1)[*:1] O=C([O-])C[C@@H](NC(=O)C1CCN(CC1)C(=O)c1cccs1)[*:1]
O=C([O-])C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccs1 O=C([O-])[*:1] O=C(N[C@H](C[*:1])c1cccs1)C1CCN(CC1)C(=O)c1cccs1
C[C@@H](C(=O)Nc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)CCn1c(=O)oc2ccccc21)[*:1]
C[C@@H](C(=O)Nc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1)n1cncn1 O=c1oc2ccccc2n1[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)CC[*:1])n1cncn1
C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)N[C@@H]1CCO[C@H]1[*:1]
CNC(=O)CC[NH+](CC(N)=O)C1CCCC1 C1CCC(C1)[*:1] CNC(=O)CC[NH+](CC(N)=O)[*:1]
CNC(=O)CC[NH+](CC(N)=O)C1CCCC1 NC(=O)C[*:1] CNC(=O)CC[NH+](C1CCCC1)[*:1]
CNC(=O)CC[NH+](CC(N)=O)C1CCCC1 NC(=O)[*:1] CNC(=O)CC[NH+](C[*:1])C1CCCC1
CNC(=O)CC[NH+](CC(N)=O)C1CCCC1 CNC(=O)[*:1] NC(=O)C[NH+](CC[*:1])C1CCCC1
CNC(=O)CC[NH+](CC(N)=O)C1CCCC1 CNC(=O)C[*:1] NC(=O)C[NH+](C[*:1])C1CCCC1
CC(C)(C)[C@@H](NC(=O)N1CCC[C@H](O)C1)c1ccc(F)cc1 CC(C)(C)[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])N1CCC[C@H](O)C1
CC(C)(C)[C@@H](NC(=O)N1CCC[C@H](O)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)[C@@H](NC(=O)N1CCC[C@H](O)C1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)c1cccn(Cc2ccccc2Cl)c1=O Clc1ccccc1[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cccn(C[*:1])c1=O
O=C(Nc1ccccc1C(F)(F)F)c1cccn(Cc2ccccc2Cl)c1=O FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])c1cccn(Cc2ccccc2Cl)c1=O
O=C(Nc1ccccc1C(F)(F)F)c1cccn(Cc2ccccc2Cl)c1=O Clc1ccccc1C[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cccn(c1=O)[*:1]
COc1cc(C)c(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1cc(C)c(cc1OC)C(=O)N1C[C@@H](C)OC[C@@H]1[*:1]
O=C(C[NH+]1CCN(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)CC1)Nc1cccc(F)c1 O=C(C[*:1])Nc1cccc(F)c1 O=C(CN1CC[NH+](CC1)[*:1])N(c1ccccc1)[C@H]1CCS(=O)(=O)C1
O=C(C[NH+]1CCN(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)CC1)Nc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1])Nc1cccc(F)c1
O=C(C[NH+]1CCN(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)CC1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)N[*:1]
O=C(C[NH+]1CCN(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)CC1)Nc1cccc(F)c1 O=C(Nc1cccc(F)c1)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])N(c1ccccc1)[C@H]1CCS(=O)(=O)C1
Cc1nnc(C)n1/N=C/c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1nnc(C)n1/N=C/c1ccc(cc1)O[*:1]
Cc1nnc(C)n1/N=C/c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1nnc(C)n1/N=C/c1ccc(cc1)OC[*:1]
O=C(C=C(C1CC1)C1CC1)NCCc1nnc2ccccn12 C1CC1[*:1] O=C(C=C(C1CC1)[*:1])NCCc1nnc2ccccn12
O=C(N[C@H](CO)c1ccco1)c1cc2c(s1)CCCC2 c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1cc2CCCCc2s1
CO[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 O=[N+]([O-])[*:1] CO[C@@H](CNC(=O)/C=C/c1cccc(c1)[*:1])c1ccc(F)cc1
CO[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)/C=C/c1cccc(c1)[N+](=O)[O-])[*:1]
N#C[C@@H](COC(=O)Cc1cccc2cccnc12)Cc1cccs1 c1csc(c1)[*:1] N#C[C@@H](COC(=O)Cc1cccc2cccnc12)C[*:1]
N#C[C@@H](COC(=O)Cc1cccc2cccnc12)Cc1cccs1 c1csc(c1)C[*:1] N#C[C@@H](COC(=O)Cc1cccc2cccnc12)[*:1]
CC[C@@H]1CCCCN1C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 CNS(=O)(=O)[*:1] CC[C@@H]1CCCCN1C(=O)N[C@H](C)c1cccc(c1)[*:1]
CC(C)n1ncc2cc(/C=C/C(=O)N[C@H](C)C[NH+]3CCCCC3)c(=O)[nH]c21 CC(C)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)/C=C/c1cc2cnn(c2[nH]c1=O)[*:1]
CC1(C)[C@H]2OCC[C@@H]2[C@H]1[NH2+]C1CCCC1 C1CCC(C1)[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1[NH2+][*:1]
COc1ccc(C2=NN=C(C(=O)N/N=C/c3ccc(C#N)cc3)C2)cc1 COc1ccc(cc1)[*:1] N#Cc1ccc(/C=N/NC(=O)C2CC(=NN=2)[*:1])cc1
COc1ccc(C2=NN=C(C(=O)N/N=C/c3ccc(C#N)cc3)C2)cc1 N#Cc1ccc(cc1)[*:1] COc1ccc(cc1)C1CC(=NN=1)C(=O)NN=C[*:1]
CSc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cn1 CSc1ccc(cn1)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)c1ccccc1
CSc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cn1 c1ccc(cc1)[*:1] CSc1ccc(cn1)NC(=O)C(=O)N1CCN(CC1)[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(Cc2cnc[nH]2)CC1 c1ncc(C[*:1])[nH]1 C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(Cc2cnc[nH]2)CC1 c1ncc([nH]1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C[*:1]
CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 Cc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 Cc1ccccc1O[*:1] CC[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1C Fc1cccc(Cl)c1[*:1] CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(noc2C)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1C CC(=O)c1c(C)[nH]c(c1C)[*:1] Cc1onc(c1C(=O)OCC(=O)[*:1])-c1c(F)cccc1Cl
CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)COC(=O)c2c(noc2C)-c2c(F)cccc2Cl)c(C)c1[*:1]
CCOC(=O)C1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)[*:1] CCOC(=O)C1CCN(CC1)C(=O)C[*:1]
CCOC(=O)C1CCN(C(=O)CC(F)(F)F)CC1 CCOC(=O)[*:1] O=C(CC(F)(F)F)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)C[*:1] CCOC(=O)C1CCN(CC1)C(=O)[*:1]
C#CCN1CCN(C(=O)NCc2ccc(COCC)cc2)CC1 CCO[*:1] C#CCN1CCN(CC1)C(=O)NCc1ccc(cc1)C[*:1]
C#CCN1CCN(C(=O)NCc2ccc(COCC)cc2)CC1 C#CC[*:1] CCOCc1ccc(cc1)CNC(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)NCc2ccc(COCC)cc2)CC1 CCOC[*:1] C#CCN1CCN(CC1)C(=O)NCc1ccc(cc1)[*:1]
Cc1nc(S[C@@H](C)C(=O)NCCc2ccc(F)cc2)c2ccccc2n1 Fc1ccc(cc1)C[*:1] Cc1nc(S[C@@H](C)C(=O)NC[*:1])c2ccccc2n1
Cc1nc(S[C@@H](C)C(=O)NCCc2ccc(F)cc2)c2ccccc2n1 Fc1ccc(cc1)[*:1] Cc1nc(S[C@@H](C)C(=O)NCC[*:1])c2ccccc2n1
C=CCN/C(N)=[NH+]/CCCc1ccc(Cl)cc1Cl C=CC[*:1] N/C(N[*:1])=[NH+]\CCCc1ccc(Cl)cc1Cl
Cc1cc(C(=O)[O-])nn1[C@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] Cc1cc(nn1[C@H]1CCS(=O)(=O)C1)[*:1]
O=C(NCCc1csc(N2CCCC2)n1)N[C@H]1CCC[C@@H](C2CC2)C1 C1CCN(C1)[*:1] O=C(NCCc1csc(n1)[*:1])N[C@H]1CCC[C@H](C1)C1CC1
O=C(NCCc1csc(N2CCCC2)n1)N[C@H]1CCC[C@@H](C2CC2)C1 C1CC1[*:1] O=C(NCCc1csc(n1)N1CCCC1)N[C@H]1CCC[C@@H](C1)[*:1]
Cc1cnn(C[C@@H]2CCCN2Cc2[nH+]ccn2C)c1 Cc1cnn(c1)[*:1] Cn1cc[nH+]c1CN1CCC[C@H]1C[*:1]
C[C@@H](CC[NH2+]C(C1CC1)C1CC1)[S@@](C)=O C1CC1[*:1] C[C@@H](CC[NH2+]C(C1CC1)[*:1])[S@@](C)=O
C[C@@H](CC[NH2+]C(C1CC1)C1CC1)[S@@](C)=O C[S@@](=O)[*:1] C[C@@H](CC[NH2+]C(C1CC1)C1CC1)[*:1]
C[C@@H](CC[NH2+]C(C1CC1)C1CC1)[S@@](C)=O C[C@@H]([S@@](C)=O)[*:1] C(C[*:1])[NH2+]C(C1CC1)C1CC1
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC1(Cl)Cl O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)[C@@H]1CC1(Cl)Cl)[*:1]
OCCCN(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 OCC[*:1] Fc1ccc(cc1)N(Cc1ccc2OCOc2c1)C[*:1]
OCCCN(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 OCCC[*:1] Fc1ccc(cc1)N(Cc1ccc2OCOc2c1)[*:1]
OCCCN(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] OCCCN(Cc1ccc2OCOc2c1)[*:1]
O=C(/C=C/c1cccc2cccnc12)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc2cccnc12)Nc1n[nH]c2ccc(cc12)[*:1]
C[C@H](Sc1nncn1C(C)(C)C)C(=O)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nncn1C(C)(C)C)C(=O)Nc1ccccc1C[*:1]
C[C@H](Sc1nncn1C(C)(C)C)C(=O)Nc1ccccc1Cc1ccccc1 CC(C)(C)[*:1] C[C@H](Sc1nncn1[*:1])C(=O)Nc1ccccc1Cc1ccccc1
C[C@H](Sc1nncn1C(C)(C)C)C(=O)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Sc1nncn1C(C)(C)C)C(=O)Nc1ccccc1[*:1]
CC(C)n1c(S[C@@H](C)C(=O)NC2CC2)nnc1N(C)C CC(C)[*:1] C[C@H](Sc1nnc(N(C)C)n1[*:1])C(=O)NC1CC1
CC(C)n1c(S[C@@H](C)C(=O)NC2CC2)nnc1N(C)C CN(C)[*:1] CC(C)n1c(nnc1[*:1])S[C@@H](C)C(=O)NC1CC1
CC(C)n1c(S[C@@H](C)C(=O)NC2CC2)nnc1N(C)C O=C(NC1CC1)[*:1] CC(C)n1c(nnc1N(C)C)S[C@@H](C)[*:1]
CC(C)n1c(S[C@@H](C)C(=O)NC2CC2)nnc1N(C)C C1CC1[*:1] CC(C)n1c(nnc1N(C)C)S[C@@H](C)C(=O)N[*:1]
CC(C)C(=O)N1CCCC[C@@H]1C[C@H](C)O C[C@H](O)C[*:1] CC(C)C(=O)N1CCCC[C@H]1[*:1]
CC(C)C(=O)N1CCCC[C@@H]1C[C@H](C)O C[C@H](O)[*:1] CC(C)C(=O)N1CCCC[C@@H]1C[*:1]
CC(C)C(=O)N1CCCC[C@@H]1C[C@H](C)O CC(C)[*:1] C[C@H](O)C[C@H]1CCCCN1C(=O)[*:1]
COC[C@H]([NH2+]Cc1ccoc1)c1ccc(F)c(F)c1 c1cc(co1)C[*:1] COC[C@H]([NH2+][*:1])c1ccc(F)c(F)c1
COC[C@H]([NH2+]Cc1ccoc1)c1ccc(F)c(F)c1 c1cc(co1)[*:1] COC[C@H]([NH2+]C[*:1])c1ccc(F)c(F)c1
COC[C@H]([NH2+]Cc1ccoc1)c1ccc(F)c(F)c1 COC[*:1] Fc1ccc(cc1F)[C@@H]([NH2+]Cc1ccoc1)[*:1]
Cc1cnccc1NC(=O)[C@H](C)c1ccc(Br)s1 Brc1ccc(s1)[*:1] Cc1cnccc1NC(=O)[C@H](C)[*:1]
C[C@@H]([NH2+]Cc1cccc2cccnc12)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H]([NH2+]Cc1cccc2cccnc12)[*:1]
O=C1C(=O)N(Cc2ccccc2)C(=O)N1CC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C1C(=O)N(Cc2ccccc2)C(=O)N1CC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C1C(=O)N(Cc2ccccc2)C(=O)N1CC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C1C(=O)N(C[*:1])C(=O)N1CC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1
O=C1C(=O)N(Cc2ccccc2)C(=O)N1CC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] O=C1C(=O)N(C(=O)N1CC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(-c2nc3c4c(C)c(C)n(Cc5cccnc5)c4ncn3n2)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)-c1nc2c3c(C)c(C)n(c3ncn2n1)[*:1]
COc1ccc(-c2nc3c4c(C)c(C)n(Cc5cccnc5)c4ncn3n2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)-c1nc2c3c(C)c(C)n(C[*:1])c3ncn2n1
COc1ccc(-c2nc3c4c(C)c(C)n(Cc5cccnc5)c4ncn3n2)cc1 COc1ccc(cc1)[*:1] Cc1c(C)n(Cc2cccnc2)c2ncn3nc(nc3c12)[*:1]
CC[NH2+][C@@H](c1ccc(Cl)s1)[C@@](C)(CC)N1CCOCC1 Clc1ccc(s1)[*:1] CC[NH2+][C@@H]([C@@](C)(CC)N1CCOCC1)[*:1]
CC[NH2+][C@@H](c1ccc(Cl)s1)[C@@](C)(CC)N1CCOCC1 C1CN(CCO1)[*:1] CC[NH2+][C@@H](c1ccc(Cl)s1)[C@@](C)(CC)[*:1]
CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3OC)CC2=O)cc1 CCCO[*:1] COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3OC)CC2=O)cc1 CCC[*:1] COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)O[*:1]
CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3OC)CC2=O)cc1 COc1ccccc1[*:1] CCCOc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CC(C)c1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)n[nH]2)cc1 CC(C)[*:1] O=C(NC[C@H]1CCCO1)c1cc([nH]n1)-c1ccc(cc1)[*:1]
CC(C)c1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)n[nH]2)cc1 C1CO[C@H](C1)C[*:1] CC(C)c1ccc(cc1)-c1cc(n[nH]1)C(=O)N[*:1]
CC(C)c1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)n[nH]2)cc1 C1CO[C@H](C1)[*:1] CC(C)c1ccc(cc1)-c1cc(n[nH]1)C(=O)NC[*:1]
CC(=O)NC(C)(C)c1noc(CCOCc2ccccc2)n1 c1ccc(cc1)[*:1] CC(=O)NC(C)(C)c1noc(CCOC[*:1])n1
CC(=O)NC(C)(C)c1noc(CCOCc2ccccc2)n1 c1ccc(cc1)C[*:1] CC(=O)NC(C)(C)c1noc(CCO[*:1])n1
CC(=O)NC(C)(C)c1noc(CCOCc2ccccc2)n1 CC(=O)N[*:1] CC(C)(c1noc(CCOCc2ccccc2)n1)[*:1]
CC(=O)NC(C)(C)c1noc(CCOCc2ccccc2)n1 CC(=O)NC(C)(C)[*:1] c1ccc(cc1)COCCc1nc(no1)[*:1]
CC[NH2+]CC1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 CC(C)[*:1] CC[NH2+]CC1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
CC[NH2+]CC1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 CC(C)O[*:1] CC[NH2+]CC1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC1=CC(C)=N[C@@H]1C(=O)N1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1 c1ccc(C[*:1])nc1 CC1=CC(C)=N[C@@H]1C(=O)N1CCc2c(C1)c(nn2CCc1ccccc1)C(=O)N[*:1]
CC1=CC(C)=N[C@@H]1C(=O)N1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1 O=C(NCc1ccccn1)[*:1] CC1=CC(C)=N[C@@H]1C(=O)N1CCc2c(C1)c(nn2CCc1ccccc1)[*:1]
CC1=CC(C)=N[C@@H]1C(=O)N1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] CC1=CC(C)=N[C@@H]1C(=O)N1CCc2c(C1)c(nn2[*:1])C(=O)NCc1ccccn1
CC1=CC(C)=N[C@@H]1C(=O)N1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1 c1ccc(nc1)[*:1] CC1=CC(C)=N[C@@H]1C(=O)N1CCc2c(C1)c(nn2CCc1ccccc1)C(=O)NC[*:1]
CC1=CC(C)=N[C@@H]1C(=O)N1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CC1=CC(C)=N[C@@H]1C(=O)N1CCc2c(C1)c(nn2C[*:1])C(=O)NCc1ccccn1
CC1=CC(C)=N[C@@H]1C(=O)N1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1 c1ccc(cc1)[*:1] CC1=CC(C)=N[C@@H]1C(=O)N1CCc2c(C1)c(nn2CC[*:1])C(=O)NCc1ccccn1
COc1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1O c1ccc(cc1)[*:1] COc1ccc(cc1O)[C@@H]1Nc2ccccc2-n2c(c3c(=O)n(C)c(=O)n(C)c3c21)[*:1]
COc1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1O COc1ccc(cc1O)[*:1] Cn1c(=O)c2c(-c3ccccc3)n3-c4ccccc4N[C@H](c3c2n(C)c1=O)[*:1]
Cc1csc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1 Cc1csc(n1)[*:1] O=C(CS[*:1])Nc1ccccc1C(=O)NC1CC1
Cc1csc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1 Cc1csc(n1)S[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NC1CC1
Cc1csc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1 O=C(NC1CC1)[*:1] Cc1csc(n1)SCC(=O)Nc1ccccc1[*:1]
Cc1csc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1 C1CC1[*:1] Cc1csc(n1)SCC(=O)Nc1ccccc1C(=O)N[*:1]
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C)cc3C)[C@@H]2SC1 CC(=O)OC[*:1] Cc1cc(C)n(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CS[C@@H]23)[*:1])n1
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C)cc3C)[C@@H]2SC1 O=C([O-])[*:1] CC(=O)OCC1CS[C@H]2[C@H](NC(=O)Cn3nc(C)cc3C)C(=O)N2C=1[*:1]
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C)cc3C)[C@@H]2SC1 Cc1cc(C)n(C[*:1])n1 CC(=O)OCC1CS[C@H]2[C@H](NC(=O)[*:1])C(=O)N2C=1C(=O)[O-]
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C)cc3C)[C@@H]2SC1 CC(=O)O[*:1] Cc1cc(C)n(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CS[C@@H]23)C[*:1])n1
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C)cc3C)[C@@H]2SC1 Cc1cc(C)n(n1)[*:1] CC(=O)OCC1CS[C@H]2[C@H](NC(=O)C[*:1])C(=O)N2C=1C(=O)[O-]
CCOC(=O)c1cc2cc(NCc3nnc(CC)o3)ccc2s1 CCOC(=O)[*:1] CCc1nnc(CNc2ccc3sc(cc3c2)[*:1])o1
CCOC(=O)c1cc2cc(NCc3nnc(CC)o3)ccc2s1 CCc1nnc(o1)[*:1] CCOC(=O)c1cc2cc(ccc2s1)NC[*:1]
O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 Clc1cccc(c1)N[*:1] O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)c2c(nc([nH]c2=O)[*:1])N1
O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 Clc1cccc(c1)[*:1] O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)c2c(nc(N[*:1])[nH]c2=O)N1
O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 Fc1ccc(cc1Cl)[*:1] O=C1C[C@@H](C(=O)N[*:1])c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1
NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 NS(=O)(=O)[*:1] O=C([O-])c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 O=C([O-])[*:1] NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1cccc(c1)[*:1]
CCN(CC(=O)NC)c1cncc(C(=O)OC)n1 CNC(=O)[*:1] CCN(C[*:1])c1cncc(n1)C(=O)OC
CCN(CC(=O)NC)c1cncc(C(=O)OC)n1 COC(=O)[*:1] CCN(CC(=O)NC)c1cncc(n1)[*:1]
CCN(CC(=O)NC)c1cncc(C(=O)OC)n1 CNC(=O)C[*:1] CCN(c1cncc(n1)C(=O)OC)[*:1]
O=C1CC[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CN1 c1coc(c1)[*:1] O=C1CC[C@H](CN1)C(=O)NC[C@H]([NH+]1CCCCC1)[*:1]
O=C1CC[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CN1 O=C1CC[C@@H](CN1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[*:1]
Cn1cc(N2CCC[C@@H](NC(=O)Cc3cc(F)ccc3F)C2)cn1 Fc1ccc(F)c(c1)[*:1] Cn1cc(cn1)N1CCC[C@H](C1)NC(=O)C[*:1]
Cn1cc(N2CCC[C@@H](NC(=O)Cc3cc(F)ccc3F)C2)cn1 Cn1cc(cn1)[*:1] O=C(Cc1cc(F)ccc1F)N[C@@H]1CCCN(C1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)cc1[N+](=O)[O-] c1csc(n1)[*:1] COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1nccs1
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)cc1[N+](=O)[O-] O=C(Nc1nccs1)[*:1] COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCC[C@H](C1)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)NCCc3ccccn3)CC2)c1 COc1cccc(c1)[*:1] O=C(NCCc1ccccn1)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)NCCc3ccccn3)CC2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)NCC[*:1]
COc1cccc(C(=O)N2CCN(C(=O)NCCc3ccccn3)CC2)c1 c1ccc(CC[*:1])nc1 COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)N[*:1]
COc1cccc(C(=O)N2CCN(C(=O)NCCc3ccccn3)CC2)c1 c1ccc(C[*:1])nc1 COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)NC[*:1]
CCO[C@@H]1C[C@@H]1/C([O-])=C(/C#N)C(=O)Nc1ccc(OC)cc1 CCO[*:1] COc1ccc(cc1)NC(=O)/C(C#N)=C(/[O-])[C@H]1C[C@H]1[*:1]
OC[C@@H](C[C@H]1CSc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] OC[C@@H](C[C@H]1CSc2ccccc21)[*:1]
CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN([C@@H](C)c4ccccc4)C(=O)[C@@H]13)O2 CC(C)C[*:1] C[C@@H](c1ccccc1)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)O[*:1])[C@@H]3C1=O
CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN([C@@H](C)c4ccccc4)C(=O)[C@@H]13)O2 CC(C)COC(=O)[*:1] C[C@@H](c1ccccc1)N1C[C@]23C=C[C@H](O2)[C@@H]([C@@H]3C1=O)[*:1]
CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN([C@@H](C)c4ccccc4)C(=O)[C@@H]13)O2 c1ccc(cc1)[*:1] CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[C@@H](C)[*:1])O2
CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN([C@@H](C)c4ccccc4)C(=O)[C@@H]13)O2 CC(C)[*:1] C[C@@H](c1ccccc1)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)OC[*:1])[C@@H]3C1=O
CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN([C@@H](C)c4ccccc4)C(=O)[C@@H]13)O2 C[C@@H](c1ccccc1)[*:1] CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
Cc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCC(=O)N4CCC(C)CC4)nc32)cc1 Cc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)CSc1nc2c(sc(=S)n2[*:1])c(=O)[nH]1
Cc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCC(=O)N4CCC(C)CC4)nc32)cc1 CC1CCN(CC1)C(=O)[*:1] Cc1ccc(cc1)-n1c(=S)sc2c(=O)[nH]c(nc21)SC[*:1]
Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N4CCCCCC4)nn3C)C2)o1 Cc1ccc(o1)[*:1] Cn1nc(C(=O)N2CCCCCC2)c2C[C@H](CCc21)NC[*:1]
Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N4CCCCCC4)nn3C)C2)o1 Cc1ccc(C[*:1])o1 Cn1nc(C(=O)N2CCCCCC2)c2C[C@H](CCc21)N[*:1]
Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N4CCCCCC4)nn3C)C2)o1 O=C(N1CCCCCC1)[*:1] Cc1ccc(CN[C@H]2CCc3c(C2)c(nn3C)[*:1])o1
Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N4CCCCCC4)nn3C)C2)o1 Cc1ccc(CN[*:1])o1 Cn1nc(C(=O)N2CCCCCC2)c2C[C@H](CCc21)[*:1]
CO[C@@H](CNC(=O)c1csc(Br)c1)c1ccc(F)cc1 Brc1cc(cs1)[*:1] CO[C@@H](CNC(=O)[*:1])c1ccc(F)cc1
CCC(CC)NC(=O)c1sc(-c2cccc(Cl)c2)nc1C Clc1cccc(c1)[*:1] CCC(CC)NC(=O)c1sc(nc1C)[*:1]
CCC(CC)NC(=O)c1sc(-c2cccc(Cl)c2)nc1C CCC(CC)[*:1] Cc1nc(sc1C(=O)N[*:1])-c1cccc(Cl)c1
CC(C)CCC[NH2+]CC(=O)N1CCc2sccc2C1 CC(C)[*:1] O=C(C[NH2+]CCC[*:1])N1CCc2sccc2C1
CC(C)CCC[NH2+]CC(=O)N1CCc2sccc2C1 CC(C)CC[*:1] O=C(C[NH2+]C[*:1])N1CCc2sccc2C1
CC(C)CCC[NH2+]CC(=O)N1CCc2sccc2C1 CC(C)CCC[*:1] O=C(C[NH2+][*:1])N1CCc2sccc2C1
CC(C)CCC[NH2+]CC(=O)N1CCc2sccc2C1 CC(C)C[*:1] O=C(C[NH2+]CC[*:1])N1CCc2sccc2C1
CC(C)(C)c1ncc(/C=C/C([O-])=N/S(=O)(=O)c2cccnc2)s1 c1cncc(c1)[*:1] CC(C)(C)c1ncc(/C=C/C([O-])=N/S(=O)(=O)[*:1])s1
CC(C)(C)c1ncc(/C=C/C([O-])=N/S(=O)(=O)c2cccnc2)s1 CC(C)(C)[*:1] O=S(=O)(/N=C([O-])/C=C/c1cnc(s1)[*:1])c1cccnc1
Cc1cc(C)nc(SCC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)n1 Cc1cc(C)nc(n1)[*:1] CN(C)C(=O)c1cc(ccc1Cl)NC(=O)CS[*:1]
Cc1cc(C)nc(SCC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)n1 CN(C)C(=O)[*:1] Cc1cc(C)nc(n1)SCC(=O)Nc1ccc(Cl)c(c1)[*:1]
COC(=O)[C@H](C)NC(=O)c1cnn(-c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] COC(=O)[C@H](C)NC(=O)c1cnn(c1)[*:1]
COC(=O)[C@H](C)NC(=O)c1cnn(-c2cccc(Cl)c2)c1 COC(=O)[C@H](C)[*:1] O=C(N[*:1])c1cnn(c1)-c1cccc(Cl)c1
COC(=O)[C@H](C)NC(=O)c1cnn(-c2cccc(Cl)c2)c1 COC(=O)[*:1] C[C@H](NC(=O)c1cnn(c1)-c1cccc(Cl)c1)[*:1]
CCC[C@@H]1CN(C(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CCO1 CCC[*:1] O=C1CC[C@]2(Sc3ccccc3N12)C(=O)N1CCO[C@@H](C1)[*:1]
C/C=C/C=C/C(=O)Nc1ccc(F)c(C#N)c1 CC=C[*:1] N#Cc1cc(ccc1F)NC(=O)C=C[*:1]
C/C=C/C=C/C(=O)Nc1ccc(F)c(C#N)c1 C/C=C/C=C[*:1] N#Cc1cc(ccc1F)NC(=O)[*:1]
CC(=O)N1CCc2cc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N1CCc2c1cccc2[*:1]
CC(=O)C(=CNc1ccccc1SCCC#N)C(C)=O CC(=O)[*:1] CC(=O)C(=CNc1ccccc1SCCC#N)[*:1]
CC(=O)C(=CNc1ccccc1SCCC#N)C(C)=O N#CCC[*:1] CC(=O)C(=CNc1ccccc1S[*:1])C(C)=O
CC(=O)C(=CNc1ccccc1SCCC#N)C(C)=O N#CC[*:1] CC(=O)C(=CNc1ccccc1SC[*:1])C(C)=O
CC(=O)C(=CNc1ccccc1SCCC#N)C(C)=O N#CCCS[*:1] CC(=O)C(=CNc1ccccc1[*:1])C(C)=O
O=c1[nH]c(=O)n(CCc2ccccc2)c2c1C[NH+](Cc1ccccc1Cl)CN2 c1ccc(cc1)[*:1] O=c1[nH]c(=O)n(CC[*:1])c2NC[NH+](Cc3ccccc3Cl)Cc21
O=c1[nH]c(=O)n(CCc2ccccc2)c2c1C[NH+](Cc1ccccc1Cl)CN2 Clc1ccccc1C[*:1] O=c1[nH]c(=O)n(CCc2ccccc2)c2NC[NH+](Cc21)[*:1]
O=c1[nH]c(=O)n(CCc2ccccc2)c2c1C[NH+](Cc1ccccc1Cl)CN2 c1ccc(cc1)CC[*:1] O=c1[nH]c(=O)n(c2NC[NH+](Cc3ccccc3Cl)Cc21)[*:1]
O=c1[nH]c(=O)n(CCc2ccccc2)c2c1C[NH+](Cc1ccccc1Cl)CN2 c1ccc(cc1)C[*:1] O=c1[nH]c(=O)n(C[*:1])c2NC[NH+](Cc3ccccc3Cl)Cc21
O=c1[nH]c(=O)n(CCc2ccccc2)c2c1C[NH+](Cc1ccccc1Cl)CN2 Clc1ccccc1[*:1] O=c1[nH]c(=O)n(CCc2ccccc2)c2NC[NH+](Cc21)C[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)NCC(C)(C)c3ccncc3)C2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](C)N(C1)C(=O)NCC(C)(C)[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)NCC(C)(C)c3ccncc3)C2)cc1 CC(C)(c1ccncc1)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](C)N(C1)C(=O)NC[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)NCC(C)(C)c3ccncc3)C2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1C(=O)NCC(C)(C)c1ccncc1)[*:1]
CSc1cccc(CNC(=O)c2ccc3oc(C(C)C)nc3c2)c1 CC(C)[*:1] CSc1cccc(c1)CNC(=O)c1ccc2oc(nc2c1)[*:1]
CSc1cccc(CNC(=O)c2ccc3oc(C(C)C)nc3c2)c1 CSc1cccc(c1)[*:1] CC(C)c1nc2cc(ccc2o1)C(=O)NC[*:1]
COc1cccc(-c2nn(CN3CCc4sccc4C3)c(=S)n2C)c1 COc1cccc(c1)[*:1] Cn1c(nn(CN2CCc3sccc3C2)c1=S)[*:1]
CC(C)Cc1cc(CNC(=O)[C@@H]2C=C(C3CC3)N=N2)on1 CC(C)[*:1] O=C(NCc1cc(C[*:1])no1)[C@@H]1C=C(N=N1)C1CC1
CC(C)Cc1cc(CNC(=O)[C@@H]2C=C(C3CC3)N=N2)on1 CC(C)C[*:1] O=C(NCc1cc(no1)[*:1])[C@@H]1C=C(N=N1)C1CC1
CC(C)Cc1cc(CNC(=O)[C@@H]2C=C(C3CC3)N=N2)on1 C1CC1[*:1] CC(C)Cc1cc(CNC(=O)[C@@H]2C=C(N=N2)[*:1])on1
C[C@H](CC[NH+](C)C)NC(=O)c1csc(C#CCN)c1 NCC#C[*:1] C[C@H](CC[NH+](C)C)NC(=O)c1csc(c1)[*:1]
CC(C)N(C)c1ccc(F)cc1C[NH3+] CC(C)[*:1] CN(c1ccc(F)cc1C[NH3+])[*:1]
O=C(COc1ccccc1Br)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 c1csc(c1)C[*:1] O=C(COc1ccccc1Br)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(COc1ccccc1Br)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] O=C(COc1ccccc1Br)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(COc1ccccc1Br)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 Brc1ccccc1O[*:1] O=C(C[*:1])N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1
O=C(COc1ccccc1Br)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 Brc1ccccc1[*:1] O=C(CO[*:1])N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 CN(C)S(=O)(=O)[*:1] COc1ccc(cc1NC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)[*:1]
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)C1CCN(CC1)C(=O)[*:1])S(=O)(=O)N(C)C
O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 FC(F)(F)c1nc(no1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C(F)(F)F
O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C(F)(F)F
Cn1cc(C(=O)NCCc2ccc[nH]2)c(C(F)(F)F)n1 c1c[nH]c(c1)C[*:1] Cn1cc(C(=O)NC[*:1])c(n1)C(F)(F)F
Cn1cc(C(=O)NCCc2ccc[nH]2)c(C(F)(F)F)n1 c1c[nH]c(c1)[*:1] Cn1cc(C(=O)NCC[*:1])c(n1)C(F)(F)F
Cn1cc(C(=O)NCCc2ccc[nH]2)c(C(F)(F)F)n1 FC(F)(F)[*:1] Cn1cc(C(=O)NCCc2ccc[nH]2)c(n1)[*:1]
CCc1c(-c2ccc(Cl)cc2)c(N)c(Sc2nnnn2C)c(=O)n1-c1ccccc1N Cn1nnnc1S[*:1] CCc1c(-c2ccc(Cl)cc2)c(N)c(c(=O)n1-c1ccccc1N)[*:1]
CCc1c(-c2ccc(Cl)cc2)c(N)c(Sc2nnnn2C)c(=O)n1-c1ccccc1N Clc1ccc(cc1)[*:1] CCc1c(c(N)c(Sc2nnnn2C)c(=O)n1-c1ccccc1N)[*:1]
CCc1c(-c2ccc(Cl)cc2)c(N)c(Sc2nnnn2C)c(=O)n1-c1ccccc1N Cn1nnnc1[*:1] CCc1c(-c2ccc(Cl)cc2)c(N)c(S[*:1])c(=O)n1-c1ccccc1N
CCc1c(-c2ccc(Cl)cc2)c(N)c(Sc2nnnn2C)c(=O)n1-c1ccccc1N Nc1ccccc1[*:1] CCc1c(-c2ccc(Cl)cc2)c(N)c(Sc2nnnn2C)c(=O)n1[*:1]
CCCC(=O)Nc1cccc(CNC(=O)N(C)[C@@H](C)C2CC2)c1 C1CC1[*:1] CCCC(=O)Nc1cccc(c1)CNC(=O)N(C)[C@@H](C)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)N(C)[C@@H](C)C2CC2)c1 CCC[*:1] C[C@@H](C1CC1)N(C)C(=O)NCc1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)N(C)[C@@H](C)C2CC2)c1 CCCC(=O)N[*:1] C[C@@H](C1CC1)N(C)C(=O)NCc1cccc(c1)[*:1]
COc1cc([C@@H](N)C(F)(F)F)cc(Cl)c1O FC(F)(F)[*:1] COc1cc(cc(Cl)c1O)[C@@H](N)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)CC1 Cc1ccc(Cl)cc1[*:1] Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCN(CC1)[*:1]
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](c1ccccc1)[C@@H]1C[C@@H]1C CC(C)(C)[*:1] Cc1nn(cc1[C@@H](C)[NH2+][C@H](c1ccccc1)[C@@H]1C[C@@H]1C)[*:1]
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](c1ccccc1)[C@@H]1C[C@@H]1C c1ccc(cc1)[*:1] Cc1nn(cc1[C@@H](C)[NH2+][C@H]([C@@H]1C[C@@H]1C)[*:1])C(C)(C)C
CC(C)C1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1 O=C1CNC(=O)N1[*:1] CC(C)C1CCN(CC1)C(=O)NCCC[*:1]
CC(C)C1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1 CC(C)[*:1] O=C(NCCCN1C(=O)CNC1=O)N1CCC(CC1)[*:1]
CCC[C@H]1CN(C(=O)c2ccc(F)c(COCC3CC3)c2)CCO1 CCC[*:1] O=C(c1ccc(F)c(c1)COCC1CC1)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)c2ccc(F)c(COCC3CC3)c2)CCO1 C1CC1C[*:1] CCC[C@H]1CN(CCO1)C(=O)c1ccc(F)c(c1)CO[*:1]
CCC[C@H]1CN(C(=O)c2ccc(F)c(COCC3CC3)c2)CCO1 C1CC1CO[*:1] CCC[C@H]1CN(CCO1)C(=O)c1ccc(F)c(c1)C[*:1]
CCC[C@H]1CN(C(=O)c2ccc(F)c(COCC3CC3)c2)CCO1 C1CC1[*:1] CCC[C@H]1CN(CCO1)C(=O)c1ccc(F)c(c1)COC[*:1]
CCC[C@H]1CN(C(=O)c2ccc(F)c(COCC3CC3)c2)CCO1 C1CC1COC[*:1] CCC[C@H]1CN(CCO1)C(=O)c1ccc(F)c(c1)[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=O)NCC(C)(C)[NH+](C)C)c1 Cc1cc(C)cc(c1)[*:1] C[NH+](C)C(C)(C)CNC(=O)NNC(=O)CO[*:1]
CCC(CC)NC(=O)CSc1nnnn1C1CC1 C1CC1[*:1] CCC(CC)NC(=O)CSc1nnnn1[*:1]
CCC(CC)NC(=O)CSc1nnnn1C1CC1 CCC(CC)[*:1] O=C(CSc1nnnn1C1CC1)N[*:1]
C[C@@H](NC(=O)CCn1cncn1)c1ccncc1 c1ncn(n1)[*:1] C[C@@H](NC(=O)CC[*:1])c1ccncc1
C[C@@H](NC(=O)CCn1cncn1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)CCn1cncn1)[*:1]
C[C@@H](NC(=O)CCn1cncn1)c1ccncc1 c1ncn(C[*:1])n1 C[C@@H](NC(=O)C[*:1])c1ccncc1
Cc1cccc(COC(=O)Cn2c(=O)sc3cccc(Cl)c32)c1 Cc1cccc(c1)[*:1] O=C(Cn1c(=O)sc2cccc(Cl)c21)OC[*:1]
CCc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 O=C(N[*:1])c1ccco1 CCc1ccccc1NC(=O)Cc1csc(n1)[*:1]
CCc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 c1coc(c1)[*:1] CCc1ccccc1NC(=O)Cc1csc(n1)NC(=O)[*:1]
CCc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 CCc1ccccc1[*:1] O=C(Cc1csc(n1)NC(=O)c1ccco1)N[*:1]
CCCCc1nnc(SCC(=O)Nc2cc(Cl)ccc2O)n1N CCC[*:1] Nn1c(C[*:1])nnc1SCC(=O)Nc1cc(Cl)ccc1O
CCCCc1nnc(SCC(=O)Nc2cc(Cl)ccc2O)n1N CCCC[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1cc(Cl)ccc1O
COc1ccccc1N1CCN(C(=O)Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 COc1ccccc1[*:1] Cc1cc2oc(=O)cc(CC(=O)N3CCN(CC3)[*:1])c2cc1C
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(-c2ccoc2)c1 CC(C)[*:1] C[C@H](NC(=O)[C@H]1CSCN1C(=O)c1cccc(c1)-c1ccoc1)[*:1]
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(-c2ccoc2)c1 CC(C)[C@H](C)NC(=O)[*:1] O=C(c1cccc(c1)-c1ccoc1)N1CSC[C@@H]1[*:1]
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(-c2ccoc2)c1 CC(C)[C@H](C)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)c1cccc(c1)-c1ccoc1
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(c1)[*:1]
C=CCc1ccc(OC(=O)c2cc(C(C)C)nn2C)c(OC)c1 CC(C)[*:1] C=CCc1ccc(OC(=O)c2cc(nn2C)[*:1])c(c1)OC
C=CCc1ccc(OC(=O)c2cc(C(C)C)nn2C)c(OC)c1 C=CC[*:1] COc1cc(ccc1OC(=O)c1cc(nn1C)C(C)C)[*:1]
N#Cc1csc(CNc2ccc(-n3cccn3)nc2)c1 c1cnn(c1)[*:1] N#Cc1csc(c1)CNc1ccc(nc1)[*:1]
COc1ccc([C@@H](CC(=O)Nc2nc(C)cs2)N2Cc3ccccc3C2=O)cc1OC COc1ccc(cc1OC)[*:1] Cc1csc(n1)NC(=O)C[C@@H](N1Cc2ccccc2C1=O)[*:1]
COc1ccc([C@@H](CC(=O)Nc2nc(C)cs2)N2Cc3ccccc3C2=O)cc1OC Cc1csc(n1)[*:1] COc1ccc(cc1OC)[C@@H](CC(=O)N[*:1])N1Cc2ccccc2C1=O
COc1ccc([C@@H](CC(=O)Nc2nc(C)cs2)N2Cc3ccccc3C2=O)cc1OC O=C1c2ccccc2CN1[*:1] COc1ccc(cc1OC)[C@@H](CC(=O)Nc1nc(C)cs1)[*:1]
COc1ccc([C@@H](CC(=O)Nc2nc(C)cs2)N2Cc3ccccc3C2=O)cc1OC Cc1csc(n1)NC(=O)[*:1] COc1ccc(cc1OC)[C@@H](C[*:1])N1Cc2ccccc2C1=O
COc1ccc([C@@H](CC(=O)Nc2nc(C)cs2)N2Cc3ccccc3C2=O)cc1OC Cc1csc(n1)NC(=O)C[*:1] COc1ccc(cc1OC)[C@@H](N1Cc2ccccc2C1=O)[*:1]
CC(=O)c1cn(CC(=O)N[C@H](C)c2ccc3ccccc3c2)nc1C CC(=O)[*:1] Cc1nn(cc1[*:1])CC(=O)N[C@H](C)c1ccc2ccccc2c1
COC(=O)C1=C(C)C(C(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCC3)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)[C@@H](C)OC(=O)c1cc2CCCc2s1
COC(=O)C1=C(C)C(C(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCC3)=N[C@H]1C c1c(sc2CCCc12)[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)[C@@H](C)OC(=O)[*:1]
Cc1cc(C)c(OCC(=O)N2N=C(c3ccncc3)C[C@@]2(O)C(F)(F)F)c(C)c1 c1cc(ccn1)[*:1] Cc1cc(C)c(OCC(=O)N2N=C(C[C@@]2(O)C(F)(F)F)[*:1])c(C)c1
Cc1cc(C)c(OCC(=O)N2N=C(c3ccncc3)C[C@@]2(O)C(F)(F)F)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CO[*:1])N1N=C(C[C@@]1(O)C(F)(F)F)c1ccncc1
Cc1cc(C)c(OCC(=O)N2N=C(c3ccncc3)C[C@@]2(O)C(F)(F)F)c(C)c1 FC(F)(F)[*:1] Cc1cc(C)c(OCC(=O)N2N=C(C[C@]2(O)[*:1])c2ccncc2)c(C)c1
C[C@H]1CCCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)C1 c1cc2OCOc2cc1[*:1] C[C@H]1CCCN(C1)c1ncc(c(n1)-c1cccnc1)[*:1]
C[C@H]1CCCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)C1 c1cncc(c1)[*:1] C[C@H]1CCCN(C1)c1ncc(-c2ccc3OCOc3c2)c(n1)[*:1]
Cc1c(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc(C#N)n1C O=C([O-])[*:1] Cc1c(/C=C/c2cc(c3ccccc3n2)[*:1])cc(C#N)n1C
CC(=O)Nc1ccc(CCc2nc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cc1 CC(=O)N[*:1] O=C(c1ccc2[nH]c(CCc3ccc(cc3)[*:1])nc2c1)N1CCOCC1
CC(=O)Nc1ccc(CCc2nc3cc(C(=O)N4CCOCC4)ccc3[nH]2)cc1 O=C(N1CCOCC1)[*:1] CC(=O)Nc1ccc(cc1)CCc1nc2cc(ccc2[nH]1)[*:1]
C=CCCCCCN(C)C(=O)Nc1ccc(Br)nc1C C=CCCCC[*:1] Cc1nc(Br)ccc1NC(=O)N(C)C[*:1]
C=CCCCCCN(C)C(=O)Nc1ccc(Br)nc1C C=CC[*:1] Cc1nc(Br)ccc1NC(=O)N(C)CCCC[*:1]
C=CCCCCCN(C)C(=O)Nc1ccc(Br)nc1C C=CCC[*:1] Cc1nc(Br)ccc1NC(=O)N(C)CCC[*:1]
C=CCCCCCN(C)C(=O)Nc1ccc(Br)nc1C C=CCCC[*:1] Cc1nc(Br)ccc1NC(=O)N(C)CC[*:1]
C#CCN(C(=O)NCCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 Cc1cc(C)n(n1)[*:1] C#CCN(C(=O)NCCC[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(C(=O)NCCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] Cc1cc(C)n(CCCNC(=O)N([C@@H]2CCS(=O)(=O)C2)[*:1])n1
C#CCN(C(=O)NCCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(C(=O)NCCCn1nc(C)cc1C)[*:1]
C#CCN(C(=O)NCCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 Cc1cc(C)n(C[*:1])n1 C#CCN(C(=O)NCC[*:1])[C@@H]1CCS(=O)(=O)C1
CC[C@H](CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1cc(N)c(Cl)c(Cl)c1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)c1cc(N)c(Cl)c(Cl)c1)[*:1]
C[NH2+][C@H](c1ccn(C[C@H](C)C(N)=O)c1)C1CC1 C1CC1[*:1] C[NH2+][C@H](c1ccn(c1)C[C@H](C)C(N)=O)[*:1]
C[NH2+][C@H](c1ccn(C[C@H](C)C(N)=O)c1)C1CC1 C[C@H](C(N)=O)[*:1] C[NH2+][C@H](c1ccn(c1)C[*:1])C1CC1
C[NH2+][C@H](c1ccn(C[C@H](C)C(N)=O)c1)C1CC1 NC(=O)[*:1] C[NH2+][C@H](c1ccn(c1)C[C@H](C)[*:1])C1CC1
C[C@H]1CN(c2cc(-c3ccccc3)nc3ncnn23)C[C@H](C)S1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)S1)c1cc(nc2ncnn12)[*:1]
COc1ccc([C@@H](C)NC(=O)Cc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)[C@@H](C)NC(=O)C[*:1]
Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCN(C)C(=O)C2(C)C)cc1 Cc1ccc(cc1)[*:1] C[C@@H]([NH3+])[C@@H](N1CCN(C)C(=O)C1(C)C)[*:1]
C[C@H]1CN(C(=O)[C@@H]2OCC[C@H]2C)[C@@H](C)CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(C(=O)[C@@H]2OCC[C@H]2C)[C@@H](C)CN1C(=O)O[*:1]
Cc1ccc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NC[C@@](O)(c1ccccc1)[*:1]
Cc1ccc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F
Cc1ccc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NC[C@@](O)(C(F)(F)F)[*:1]
CC[C@H]1CCC[C@H](NC(=O)N[C@@H](CC)c2cccc(S(N)(=O)=O)c2)C1 NS(=O)(=O)[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)N[C@@H](CC)c1cccc(c1)[*:1]
CC[C@H]1CCC[C@H](NC(=O)N[C@@H](CC)c2cccc(S(N)(=O)=O)c2)C1 CC[C@H]1CCC[C@H](C1)[*:1] CC[C@H](NC(=O)N[*:1])c1cccc(c1)S(N)(=O)=O
O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1[*:1]
C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1 C1CCCC(CC1)[*:1] C[NH+](C)CCOc1ccc(cc1)NC(=O)C(=O)N[*:1]
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(Cl)cc1 C[C@H]1CCCC[C@@H]1[*:1] C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)N[*:1]
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnnn1[*:1]
COC(=O)c1cc(-c2csc(NC(=O)[C@H]3CC3(Cl)Cl)n2)c[nH]1 COC(=O)[*:1] O=C(Nc1nc(cs1)-c1c[nH]c(c1)[*:1])[C@H]1CC1(Cl)Cl
C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCC(C)(C)c1ccncc1 Fc1ccc(cc1)[*:1] C[C@H](CS(=O)(=O)[*:1])C(=O)NCC(C)(C)c1ccncc1
C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCC(C)(C)[*:1]
COCC[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 COCC[C@H](C)[*:1] N#Cc1ccc(cc1C(F)(F)F)N[*:1]
COCC[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 COCC[*:1] C[C@H](Nc1ccc(C#N)c(c1)C(F)(F)F)[*:1]
COCC[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 COC[*:1] C[C@@H](C[*:1])Nc1ccc(C#N)c(c1)C(F)(F)F
COCC[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 FC(F)(F)[*:1] COCC[C@H](C)Nc1ccc(C#N)c(c1)[*:1]
COC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1c(C)n(C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] COC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1c(C)n(C)n(c1=O)[*:1]
COC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1c(C)n(C)n(-c2ccccc2)c1=O COC(=O)C[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)-n1c(nnc1-c1ccccc1Cl)S[*:1]
COC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1c(C)n(C)n(-c2ccccc2)c1=O Clc1ccccc1[*:1] COC(=O)CSc1nnc(n1-c1c(C)n(C)n(-c2ccccc2)c1=O)[*:1]
COC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1c(C)n(C)n(-c2ccccc2)c1=O COC(=O)CS[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)-n1c(nnc1[*:1])-c1ccccc1Cl
COC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1c(C)n(C)n(-c2ccccc2)c1=O COC(=O)[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)-n1c(nnc1-c1ccccc1Cl)SC[*:1]
C[C@@H]1C/C(=N\NC(=S)NC2CCCCC2)CC(C)(C)C1 C1CCC(CC1)[*:1] C[C@@H]1C/C(CC(C)(C)C1)=N\NC(=S)N[*:1]
CC(C)c1cc(C(=O)N(C)CCc2cn[nH]c2)n(C)n1 c1n[nH]cc1C[*:1] CC(C)c1cc(C(=O)N(C)C[*:1])n(C)n1
CC(C)c1cc(C(=O)N(C)CCc2cn[nH]c2)n(C)n1 CC(C)[*:1] CN(CCc1cn[nH]c1)C(=O)c1cc(nn1C)[*:1]
CC(C)c1cc(C(=O)N(C)CCc2cn[nH]c2)n(C)n1 c1n[nH]cc1[*:1] CC(C)c1cc(C(=O)N(C)CC[*:1])n(C)n1
Cc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)ccc1I Cc1cc(ccc1I)[*:1] CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)N[*:1]
Cc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)ccc1I CC(C)C[*:1] Cc1cc(ccc1I)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)O[*:1]
Cc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)ccc1I CC(C)[*:1] Cc1cc(ccc1I)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC[*:1]
CCOc1cccc([C@@]2(C(C)(C)C)CCC[NH2+]2)c1 CC(C)(C)[*:1] CCOc1cccc(c1)[C@]1(CCC[NH2+]1)[*:1]
CCOc1cccc([C@@]2(C(C)(C)C)CCC[NH2+]2)c1 CCO[*:1] CC(C)(C)[C@@]1(CCC[NH2+]1)c1cccc(c1)[*:1]
O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 c1cn(cn1)[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)C[*:1]
O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)Cn1ccnc1
O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 c1cn(cn1)C[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC[C@H](N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](N[C@H](C)c1nc2ccccc2n1C(F)F)[*:1]
CC[C@H](N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccncc1 FC(F)[*:1] CC[C@H](N[C@H](C)c1nc2ccccc2n1[*:1])c1ccncc1
CCOc1ccccc1[C@H]1C(C(N)=O)=C(N)OC2=C1C(=O)CC(C)(C)C2 CCO[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)[C@@H]2c1ccccc1[*:1]
CCOc1ccccc1[C@H]1C(C(N)=O)=C(N)OC2=C1C(=O)CC(C)(C)C2 NC(=O)[*:1] CCOc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC=2OC(N)=C1[*:1]
COc1ccc(-c2nc(C[S@](=O)Cc3ccc(C#N)cc3)co2)cc1 N#Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(co1)C[S@](=O)C[*:1]
COc1ccc(-c2nc(C[S@](=O)Cc3ccc(C#N)cc3)co2)cc1 COc1ccc(cc1)[*:1] N#Cc1ccc(cc1)C[S@@](=O)Cc1coc(n1)[*:1]
C[C@@H]1CCN(C(=O)CCc2nc(-c3cccnc3)no2)C[C@@H]1O c1cncc(c1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)CCc1nc(no1)[*:1]
COc1cc([C@H]2CC(=O)Nc3ncn(-c4ccc(C(F)(F)F)cc4)c32)cc2c1OCO2 FC(F)(F)[*:1] COc1cc(cc2OCOc12)[C@H]1CC(=O)Nc2ncn(-c3ccc(cc3)[*:1])c21
COc1cc([C@H]2CC(=O)Nc3ncn(-c4ccc(C(F)(F)F)cc4)c32)cc2c1OCO2 FC(F)(F)c1ccc(cc1)[*:1] COc1cc(cc2OCOc12)[C@H]1CC(=O)Nc2ncn(c21)[*:1]
C[C@@H]([NH2+]C[C@@H]1C=NN=C1c1ccc(Cl)cc1)[C@H]1C=NN(c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] C[C@@H]([NH2+]C[C@@H]1C=NN=C1c1ccc(Cl)cc1)[C@H]1C=NN([C@@H]1C)[*:1]
C[C@@H]([NH2+]C[C@@H]1C=NN=C1c1ccc(Cl)cc1)[C@H]1C=NN(c2ccccc2)[C@@H]1C Clc1ccc(cc1)[*:1] C[C@@H]([NH2+]C[C@@H]1C=NN=C1[*:1])[C@H]1C=NN(c2ccccc2)[C@@H]1C
CC(C)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)CNC(=O)c1ccc(=O)n(C[*:1])n1
CC(C)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CC(C)CNC(=O)c1ccc(=O)n(n1)[*:1]
CC(C)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 CC(C)[*:1] O=C(NC[*:1])c1ccc(=O)n(Cc2ccccc2)n1
CC(C)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 CC(C)CNC(=O)[*:1] O=c1ccc(nn1Cc1ccccc1)[*:1]
CC(C)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 CC(C)C[*:1] O=C(N[*:1])c1ccc(=O)n(Cc2ccccc2)n1
CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]C1CCCC1 c1ccc(cc1)C[*:1] CN(C(=O)c1nc2ccccn2c1C[NH2+]C1CCCC1)[*:1]
CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]C1CCCC1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1nc2ccccn2c1C[NH2+]C1CCCC1
COc1ccc(NC(=O)N(C)[C@@H](C)CSC)cn1 CSC[*:1] COc1ccc(cn1)NC(=O)N(C)[C@@H](C)[*:1]
CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC(C)OC(=O)N1CCC(CC1)[NH2+][C@H](C)c1cccc(c1)[*:1]
CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 CC(C)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)O[*:1])c1cccc(c1)C(F)(F)F
CSC[C@H](C)NS(=O)(=O)Cc1ccccc1F CSC[*:1] C[C@H](NS(=O)(=O)Cc1ccccc1F)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(C)c2)C12CCCC2 CCO[*:1] COc1ccc(cc1C)NC(=O)C(=O)N[C@@H]1C[C@H](C12CCCC2)[*:1]
CCc1csc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3OC)C2)n1 CCc1csc(C[*:1])n1 COc1ccccc1CN1C[C@@H](CCC1=O)C(=O)N[*:1]
CCc1csc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3OC)C2)n1 COc1ccccc1[*:1] CCc1csc(CNC(=O)[C@@H]2CCC(=O)N(C2)C[*:1])n1
CCc1csc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3OC)C2)n1 CCc1csc(n1)[*:1] COc1ccccc1CN1C[C@@H](CCC1=O)C(=O)NC[*:1]
CCc1csc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3OC)C2)n1 COc1ccccc1C[*:1] CCc1csc(CNC(=O)[C@@H]2CCC(=O)N(C2)[*:1])n1
COc1ccc(O[C@@H](C)C(=O)N2CSC[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)N1CSC[C@H]1[*:1]
CNS(=O)(=O)c1ccc(NC(=O)CCCc2ccccc2)cc1 c1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(cc1)NC(=O)CCC[*:1]
CNS(=O)(=O)c1ccc(NC(=O)CCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CNS(=O)(=O)c1ccc(cc1)NC(=O)CC[*:1]
CNS(=O)(=O)c1ccc(NC(=O)CCCc2ccccc2)cc1 CNS(=O)(=O)[*:1] O=C(CCCc1ccccc1)Nc1ccc(cc1)[*:1]
O=c1n(CN2CCC[NH+](Cc3ccccc3)CC2)nc2ccccn12 c1ccc(cc1)C[*:1] O=c1n(CN2CCC[NH+](CC2)[*:1])nc2ccccn12
O=c1n(CN2CCC[NH+](Cc3ccccc3)CC2)nc2ccccn12 c1ccc(cc1)[*:1] O=c1n(CN2CCC[NH+](CC2)C[*:1])nc2ccccn12
CC1(C)C(=O)NCCN1Cc1cc[nH]c1 c1cc(c[nH]1)[*:1] CC1(C)C(=O)NCCN1C[*:1]
CCN(CC)C(=O)CN(C)C(=O)c1cnn(C(C)C)c1C CCN(CC)C(=O)[*:1] Cc1c(cnn1C(C)C)C(=O)N(C)C[*:1]
CCN(CC)C(=O)CN(C)C(=O)c1cnn(C(C)C)c1C CC(C)[*:1] CCN(CC)C(=O)CN(C)C(=O)c1cnn(c1C)[*:1]
O=C(Nc1ccccc1)c1cc(Cl)ccc1OCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(Nc1ccccc1)c1cc(Cl)ccc1OC[*:1]
O=C(Nc1ccccc1)c1cc(Cl)ccc1OCC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(Nc1ccccc1)c1cc(Cl)ccc1O[*:1]
O=C(Nc1ccccc1)c1cc(Cl)ccc1OCC(=O)N1CCCC1 c1ccc(cc1)[*:1] O=C(N[*:1])c1cc(Cl)ccc1OCC(=O)N1CCCC1
Cc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc4c(c3)nnn4C(C)C)C[C@@H]2C)c1 CC(C)[*:1] Cc1cccc(c1)N1CCN(C[C@@H]1C)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)nnn2[*:1]
Cc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc4c(c3)nnn4C(C)C)C[C@@H]2C)c1 Cc1cccc(c1)[*:1] CC(C)n1nnc2cc(ccc21)S(=O)(=O)N(C)CC(=O)N1CCN([C@@H](C)C1)[*:1]
NS(=O)(=O)CCNc1nc(-c2ccccc2)nc2ccccc12 NS(=O)(=O)[*:1] c1ccc(cc1)-c1nc(NCC[*:1])c2ccccc2n1
NS(=O)(=O)CCNc1nc(-c2ccccc2)nc2ccccc12 NS(=O)(=O)C[*:1] c1ccc(cc1)-c1nc(NC[*:1])c2ccccc2n1
NS(=O)(=O)CCNc1nc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] NS(=O)(=O)CCNc1nc(nc2ccccc12)[*:1]
NS(=O)(=O)CCNc1nc(-c2ccccc2)nc2ccccc12 NS(=O)(=O)CC[*:1] c1ccc(cc1)-c1nc(N[*:1])c2ccccc2n1
NS(=O)(=O)CCNc1nc(-c2ccccc2)nc2ccccc12 NS(=O)(=O)CCN[*:1] c1ccc(cc1)-c1nc(c2ccccc2n1)[*:1]
CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cn2ccccc2n1 CC(C)[*:1] C[C@@H](CC(=O)Nc1ccccc1[*:1])[NH2+]Cc1cn2ccccc2n1
Cc1cc([C@H]([NH2+]C[C@@H](O)C(C)C)C(C)C)c(C)s1 CC(C)[*:1] Cc1cc(c(C)s1)[C@H]([NH2+]C[C@@H](O)[*:1])C(C)C
Cc1cc([C@H]([NH2+]C[C@@H](O)C(C)C)C(C)C)c(C)s1 CC(C)[C@H](O)C[*:1] Cc1cc(c(C)s1)[C@H]([NH2+][*:1])C(C)C
Cc1cc([C@H]([NH2+]C[C@@H](O)C(C)C)C(C)C)c(C)s1 CC(C)[C@H](O)[*:1] Cc1cc(c(C)s1)[C@H]([NH2+]C[*:1])C(C)C
Cc1cc([C@H]([NH2+]C[C@@H](O)C(C)C)C(C)C)c(C)s1 CC(C)[*:1] Cc1cc(c(C)s1)[C@H]([NH2+]C[C@@H](O)C(C)C)[*:1]
COC[C@H](NC(=O)NCc1ccc(OC)c(O)c1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)NCc1ccc(OC)c(O)c1)[*:1]
COC[C@H](NC(=O)NCc1ccc(OC)c(O)c1)c1ccc(F)c(F)c1 COC[*:1] COc1ccc(cc1O)CNC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
Cn1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(C(C)(C)C)n1 Clc1ccc(cc1Cl)[*:1] Cn1cc(C(=O)N2CCO[C@@H](C2)[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)N2CCO[C@H](C2)c2ccc(Cl)c(Cl)c2)c(n1)[*:1]
O[C@H](CN[C@@H]1CCc2c(F)ccc(Br)c21)c1ccsc1 c1cc(cs1)[*:1] O[C@H](CN[C@@H]1CCc2c(F)ccc(Br)c21)[*:1]
CS(=O)(=O)CC1(CC(=O)N2CCSc3ccccc32)CC1 CS(=O)(=O)[*:1] O=C(CC1(CC1)C[*:1])N1CCSc2ccccc21
CS(=O)(=O)CC1(CC(=O)N2CCSc3ccccc32)CC1 CS(=O)(=O)C[*:1] O=C(CC1(CC1)[*:1])N1CCSc2ccccc21
COc1ccccc1N1CCN(C(=O)c2ccc(O)c(C)c2)CC1=O Cc1cc(ccc1O)[*:1] COc1ccccc1N1CCN(CC1=O)C(=O)[*:1]
COc1ccccc1N1CCN(C(=O)c2ccc(O)c(C)c2)CC1=O COc1ccccc1[*:1] Cc1cc(ccc1O)C(=O)N1CCN(C(=O)C1)[*:1]
Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](NC(=O)C(=O)Nc1ccc(cc1)C(=O)N[*:1])C1CC1
Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(=O)NC1CC1)C(=O)N[C@H](C1CC1)[*:1]
Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)[C@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])C1CC1
Cc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](NC(=O)C(=O)Nc1ccc(cc1)C(=O)NC1CC1)[*:1]
COCCCNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1N COCCC[*:1] Nc1c(ncnc1N[*:1])NC12CC3CC(CC(C3)C1)C2
COCCCNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1N COC[*:1] Nc1c(ncnc1NC12CC3CC(CC(C3)C1)C2)NCC[*:1]
COCCCNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1N COCC[*:1] Nc1c(ncnc1NC12CC3CC(CC(C3)C1)C2)NC[*:1]
COCCCNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1N COCCCN[*:1] Nc1c(ncnc1[*:1])NC12CC3CC(CC(C3)C1)C2
COc1ccc([N+](=O)[O-])cc1C1=N/C(=C\c2ccccc2)C(=O)O1 O=[N+]([O-])[*:1] COc1ccc(cc1C1=N/C(=C\c2ccccc2)C(=O)O1)[*:1]
COc1ccc([N+](=O)[O-])cc1C1=N/C(=C\c2ccccc2)C(=O)O1 c1ccc(cc1)[*:1] COc1ccc(cc1C1=NC(=C[*:1])C(=O)O1)[N+](=O)[O-]
CCCCN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 CCCC[*:1] CN(C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1)[*:1]
CCCCN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CCCCN(C)C(=O)[C@@H]1CCCCN1C(=O)[*:1]
CCCCN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 CCC[*:1] CN(C[*:1])C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccccc1OCCO OCCO[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccccc1[*:1]
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccccc1OCCO OCC[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccccc1O[*:1]
CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)CC1 Clc1ccc(Cl)c(c1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 CC(C)(C)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccc(cc1)C[NH+]1CCCC1
CC(C)Cc1ccc([C@H](C)c2nn3c(-c4ccccn4)nnc3s2)cc1 c1ccc(nc1)[*:1] CC(C)Cc1ccc(cc1)[C@H](C)c1nn2c(nnc2s1)[*:1]
CC(C)Cc1ccc([C@H](C)c2nn3c(-c4ccccn4)nnc3s2)cc1 CC(C)[*:1] C[C@@H](c1ccc(cc1)C[*:1])c1nn2c(nnc2s1)-c1ccccn1
CC(C)Cc1ccc([C@H](C)c2nn3c(-c4ccccn4)nnc3s2)cc1 CC(C)C[*:1] C[C@@H](c1ccc(cc1)[*:1])c1nn2c(nnc2s1)-c1ccccn1
COc1ccccc1-c1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)no1 COc1ccccc1[*:1] CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(on2)[*:1])C1
COc1c(C)cnc(CNC(=O)NCc2ccc(C(N)=O)o2)c1C NC(=O)[*:1] COc1c(C)cnc(CNC(=O)NCc2ccc(o2)[*:1])c1C
COc1c(C)cnc(CNC(=O)NCc2ccc(C(N)=O)o2)c1C NC(=O)c1ccc(o1)[*:1] COc1c(C)cnc(CNC(=O)NC[*:1])c1C
C[C@H]1c2ccccc2O[C@H]1c1nc(-c2cnccn2)no1 c1cnc(cn1)[*:1] C[C@H]1c2ccccc2O[C@H]1c1nc(no1)[*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCSc1cnccn1 c1cnc(cn1)[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H]1CCS[*:1])C(=O)[O-]
CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCSc1cnccn1 CC(C)[*:1] O=C([O-])[C@]1(CCC[C@@H]1CCSc1cnccn1)[NH2+][*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCSc1cnccn1 c1cnc(cn1)S[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H]1CC[*:1])C(=O)[O-]
CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCSc1cnccn1 O=C([O-])[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H]1CCSc1cnccn1)[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)/C=C/c4cccs4)CC3)[nH+]c2)no1 C(=C[*:1])c1cccs1 CCc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)/C=C/c4cccs4)CC3)[nH+]c2)no1 c1csc(c1)[*:1] CCc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)C=C[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)/C=C/c4cccs4)CC3)[nH+]c2)no1 CCc1nc(no1)[*:1] O=C(/C=C/c1cccs1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CCSCc1cccc(NC(=O)C[C@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] CCSCc1cccc(c1)NC(=O)C[C@H](O)[*:1]
CCSCc1cccc(NC(=O)C[C@H](O)c2ccccc2)c1 CCS[*:1] O=C(C[C@H](O)c1ccccc1)Nc1cccc(c1)C[*:1]
CCSCc1cccc(NC(=O)C[C@H](O)c2ccccc2)c1 CCSC[*:1] O=C(C[C@H](O)c1ccccc1)Nc1cccc(c1)[*:1]
CC(C)(C)[NH2+]CCc1cc(Cl)ccc1[N+](=O)[O-] CC(C)(C)[*:1] O=[N+]([O-])c1ccc(Cl)cc1CC[NH2+][*:1]
CC(C)(C)[NH2+]CCc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)[NH2+]CCc1cc(Cl)ccc1[*:1]
CCO[C@H](C)C(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] CCO[C@H](C)C(=O)Nc1cccn(C[*:1])c1=O
CCO[C@H](C)C(=O)Nc1cccn(Cc2ccccc2)c1=O CCO[C@H](C)[*:1] O=C(Nc1cccn(Cc2ccccc2)c1=O)[*:1]
CCO[C@H](C)C(=O)Nc1cccn(Cc2ccccc2)c1=O CCO[*:1] C[C@H](C(=O)Nc1cccn(Cc2ccccc2)c1=O)[*:1]
CCO[C@H](C)C(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] CCO[C@H](C)C(=O)Nc1cccn(c1=O)[*:1]
Cc1ccc(O[C@H](C)CNC(=O)Cc2csc(C)n2)cc1 Cc1nc(cs1)[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)C[*:1]
Cc1ccc(O[C@H](C)CNC(=O)Cc2csc(C)n2)cc1 Cc1nc(cs1)C[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)[*:1]
Cc1ccc(O[C@H](C)CNC(=O)Cc2csc(C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)NC[C@@H](C)O[*:1]
Cc1ccccc1OC[C@H](O)Cn1c2c([O-])n(C)c(=O)n(C)c-2nc1=S Cc1ccccc1O[*:1] Cn1c2nc(=S)n(C[C@@H](O)C[*:1])c-2c([O-])n(C)c1=O
Cc1ccccc1OC[C@H](O)Cn1c2c([O-])n(C)c(=O)n(C)c-2nc1=S Cc1ccccc1[*:1] Cn1c2nc(=S)n(C[C@@H](O)CO[*:1])c-2c([O-])n(C)c1=O
Cc1ccc(F)cc1NC(=O)Cc1ccc(OC(F)F)cc1 FC(F)O[*:1] Cc1ccc(F)cc1NC(=O)Cc1ccc(cc1)[*:1]
Cc1ccc(F)cc1NC(=O)Cc1ccc(OC(F)F)cc1 FC(F)[*:1] Cc1ccc(F)cc1NC(=O)Cc1ccc(cc1)O[*:1]
Cc1ccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(CN1C(=O)CC2(CCCCC2)C1=O)N[*:1]
COc1ccc(NC(=O)N[C@@H](C)CCC(C)C)cc1C CC(C)CC[*:1] COc1ccc(cc1C)NC(=O)N[C@@H](C)[*:1]
COc1ccc(NC(=O)N[C@@H](C)CCC(C)C)cc1C CC(C)C[*:1] COc1ccc(cc1C)NC(=O)N[C@@H](C)C[*:1]
COc1ccc(NC(=O)N[C@@H](C)CCC(C)C)cc1C CC(C)[*:1] COc1ccc(cc1C)NC(=O)N[C@@H](C)CC[*:1]
O=C(Nc1ccc(SC(F)F)cc1)C(=O)N1C[C@H]2CCCC[C@H]2C1 FC(F)[*:1] O=C(Nc1ccc(cc1)S[*:1])C(=O)N1C[C@H]2CCCC[C@H]2C1
O=C(Nc1ccc(SC(F)F)cc1)C(=O)N1C[C@H]2CCCC[C@H]2C1 FC(F)S[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1C[C@H]2CCCC[C@H]2C1
CCC[NH2+][C@@H]1[C@H]([S@@](=O)c2ccccc2)CCC1(C)C c1ccc(cc1)[*:1] CCC[NH2+][C@@H]1[C@@H](CCC1(C)C)[S@@](=O)[*:1]
CCC[NH2+][C@@H]1[C@H]([S@@](=O)c2ccccc2)CCC1(C)C CCC[*:1] CC1(C)CC[C@H]([C@H]1[NH2+][*:1])[S@@](=O)c1ccccc1
CC1(C)C(NS(=O)(=O)Cc2cccc(C(N)=S)c2)C1(C)C CC1(C)C(C1(C)C)[*:1] NC(=S)c1cccc(c1)CS(=O)(=O)N[*:1]
CC1(C)C(NS(=O)(=O)Cc2cccc(C(N)=S)c2)C1(C)C NC(=S)[*:1] CC1(C)C(NS(=O)(=O)Cc2cccc(c2)[*:1])C1(C)C
CC[C@H](Nc1cncc(-n2ccnc2C)n1)c1ccc(F)cc1F Cc1nccn1[*:1] CC[C@H](Nc1cncc(n1)[*:1])c1ccc(F)cc1F
CC[C@H](Nc1cncc(-n2ccnc2C)n1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC[C@H](Nc1cncc(n1)-n1ccnc1C)[*:1]
Cc1ccc(-c2nc(CC(=O)OC[C@H]3CC3(Cl)Cl)cs2)o1 Cc1ccc(o1)[*:1] O=C(Cc1csc(n1)[*:1])OC[C@H]1CC1(Cl)Cl
Cc1noc(C)c1CCC(=O)NCc1cc(-c2ccco2)on1 c1coc(c1)[*:1] Cc1noc(C)c1CCC(=O)NCc1cc(on1)[*:1]
Cc1noc(C)c1CCC(=O)NCc1cc(-c2ccco2)on1 Cc1noc(C)c1[*:1] O=C(CC[*:1])NCc1cc(on1)-c1ccco1
COc1ccc2c(c1)CN(C(=O)C=C1CN(C(=O)OC(C)(C)C)C1)CC2 CC(C)(C)[*:1] COc1ccc2CCN(Cc2c1)C(=O)C=C1CN(C1)C(=O)O[*:1]
Cc1ccc2c(c1)NC1(CCN(C(=O)c3cccc(F)c3)CC1)c1cccn1-2 Fc1cccc(c1)[*:1] Cc1ccc2c(c1)NC1(CCN(CC1)C(=O)[*:1])c1cccn1-2
Cc1ccc(-n2nc(C(=O)[O-])c3c2CCC3)c(F)c1 O=C([O-])[*:1] Cc1ccc(c(F)c1)-n1nc(c2CCCc21)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@H]1CCC[C@@H]1C c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)N[C@H]1CCC[C@@H]1C)[*:1]
CC[NH2+][C@H](C)c1cnc([C@H]2CN(C(C)C)CCO2)nc1C CC(C)[*:1] CC[NH2+][C@H](C)c1cnc(nc1C)[C@H]1CN(CCO1)[*:1]
CN/C([O-])=C(\C#N)C(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] CN/C([O-])=C(\C#N)C(=O)c1cccc(c1)[*:1]
COc1cccc(-c2nnc3ccc(OCCNC(=O)c4cc5ccccc5o4)nn23)c1 c1ccc2oc(cc2c1)[*:1] COc1cccc(c1)-c1nnc2ccc(nn12)OCCNC(=O)[*:1]
COc1cccc(-c2nnc3ccc(OCCNC(=O)c4cc5ccccc5o4)nn23)c1 COc1cccc(c1)[*:1] O=C(NCCOc1ccc2nnc(n2n1)[*:1])c1cc2ccccc2o1
O=C(NC[C@H]1CCC[C@@H]1O)NC1CCCC1 C1CCC(C1)[*:1] O=C(NC[C@H]1CCC[C@@H]1O)N[*:1]
C[C@@H]1C[C@@H]1COC(=O)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1[*:1] C[C@@H]1C[C@@H]1COC(=O)c1cccc(c1)-c1noc(n1)[*:1]
CCNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@H]2CCCO2)C1 CCNC(=O)[*:1] O=C([C@H]1CCCO1)N1CCC[C@@](Cc2cccc(c2)-c2cccc(F)c2)(C1)[*:1]
CCNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@H]2CCCO2)C1 Fc1cccc(c1)[*:1] CCNC(=O)[C@@]1(CCCN(C1)C(=O)[C@H]1CCCO1)Cc1cccc(c1)[*:1]
COC(=O)c1cccc(NC(=O)NCC[NH+]2CCCCC2)c1 COC(=O)[*:1] O=C(NCC[NH+]1CCCCC1)Nc1cccc(c1)[*:1]
O=C(CNC(=O)c1cccc(Br)c1)NC[C@H]1CCC[C@@H](O)C1 Brc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])NC[C@H]1CCC[C@@H](O)C1
C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] O[C@H]1CCCC[C@H]1[*:1] C[C@H]([NH2+]CCC[*:1])c1ccccc1[N+](=O)[O-]
C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1ccccc1[*:1]
O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)N1CCCCC1 O=C(C[*:1])N1CCCCC1 O=c1c2SCCc2nc(S[*:1])n1-c1ccc(Br)cc1
O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)N1CCCCC1 Brc1ccc(cc1)[*:1] O=C(CSc1nc2CCSc2c(=O)n1[*:1])N1CCCCC1
O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=c1c2SCCc2nc(SC[*:1])n1-c1ccc(Br)cc1
C[NH+](C)[C@@H]1CCCN([C@@H](C[NH3+])c2cncn2C2CC2)C1 C1CC1[*:1] C[NH+](C)[C@@H]1CCCN(C1)[C@@H](C[NH3+])c1cncn1[*:1]
CC[NH+](CC(=O)Nc1c(C)cccc1C)CC(=O)N(C)OC CON(C)C(=O)[*:1] CC[NH+](CC(=O)Nc1c(C)cccc1C)C[*:1]
CC(C)(C)[NH2+]CC/C=C/C[C@@H]1Cc2ccccc21 CC(C)(C)[*:1] C(=C/C[C@@H]1Cc2ccccc21)\CC[NH2+][*:1]
COc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2
COc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2
COc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)CNC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[*:1])C(=O)[C@H]13)O2
COc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)CNC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)[*:1])O2
Cc1ccc(-c2ncccc2C(=O)[O-])c(Cl)c1 O=C([O-])[*:1] Cc1ccc(c(Cl)c1)-c1ncccc1[*:1]
CC(C)(C)[C@@H](CS)CN1CC[NH+](C(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)(C)[NH+]1CCN(CC1)C[C@H](CS)[*:1]
CC(C)(C)[C@@H](CS)CN1CC[NH+](C(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)(C)[C@@H](CS)CN1CC[NH+](CC1)[*:1]
Cc1cccc(CC(=O)NCCN2C(=O)CCCC2=O)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])NCCN1C(=O)CCCC1=O
O=C([O-])c1cnc(-c2ccccc2Cl)nc1 O=C([O-])[*:1] Clc1ccccc1-c1ncc(cn1)[*:1]
Cc1ccc(-n2cc(C)cn2)c(NCc2ncn(-c3ccccc3)n2)c1 Cc1cnn(c1)[*:1] Cc1ccc(c(c1)NCc1ncn(n1)-c1ccccc1)[*:1]
Cc1ccc(-n2cc(C)cn2)c(NCc2ncn(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1ccc(c(c1)NCc1ncn(n1)[*:1])-n1cc(C)cn1
Cc1ccsc1CN1C[C@H](C(C)C)[NH2+]C[C@@H]1C CC(C)[*:1] Cc1ccsc1CN1C[C@H]([NH2+]C[C@@H]1C)[*:1]
Cn1nccc1/C=C/C(=O)N[C@H](CO)C(=O)[O-] O=C([O-])[*:1] Cn1nccc1/C=C/C(=O)N[C@H](CO)[*:1]
O=C(C[n+]1ccccc1)N/N=C\c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(C[n+]1ccccc1)NN=C[*:1]
O=C(C[n+]1ccccc1)N/N=C\c1ccc(Br)s1 c1cc[n+](cc1)[*:1] O=C(C[*:1])N/N=C\c1ccc(Br)s1
COc1cc(C(C)=O)ccc1OC(=O)[C@H](C)Oc1ccc(Br)cc1 Brc1ccc(cc1)O[*:1] COc1cc(ccc1OC(=O)[C@H](C)[*:1])C(C)=O
COc1cc(C(C)=O)ccc1OC(=O)[C@H](C)Oc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1cc(ccc1OC(=O)[C@H](C)O[*:1])C(C)=O
COc1cc(C(C)=O)ccc1OC(=O)[C@H](C)Oc1ccc(Br)cc1 CC(=O)[*:1] COc1cc(ccc1OC(=O)[C@H](C)Oc1ccc(Br)cc1)[*:1]
CC(C)[C@H](CNC(=O)NC[C@H]1Cc2ccccc2O1)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)NC[C@H]1Cc2ccccc2O1)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O Cc1cccc(C)c1[*:1] C[C@@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)NCC(=O)N[*:1]
CCCNC(=O)c1cccc(C(=O)N[C@H](C)c2cc3ccccc3o2)c1 CCC[*:1] C[C@@H](NC(=O)c1cccc(c1)C(=O)N[*:1])c1cc2ccccc2o1
CCCNC(=O)c1cccc(C(=O)N[C@H](C)c2cc3ccccc3o2)c1 CCCNC(=O)[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])c1cc2ccccc2o1
COc1cccc(N(Cc2cc(C)ccc2C)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 Cc1ccc(C)c(c1)[*:1] COc1cccc(c1)N(C[*:1])C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1
COc1cccc(N(Cc2cc(C)ccc2C)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 Cc1ccc(C)c(c1)C[*:1] COc1cccc(c1)N(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)[*:1]
COc1cccc(N(Cc2cc(C)ccc2C)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 COc1cccc(c1)[*:1] Cc1ccc(C)c(c1)CN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)[*:1]
CC(C)(C)NNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] CC(C)(C)NN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccc(F)c(F)c1
CC(C)(C)NNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)NNc1ncnc(Nc2ccc(F)c(F)c2)c1[*:1]
CC(C)(C)NNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] Fc1ccc(cc1F)[*:1] CC(C)(C)NNc1ncnc(N[*:1])c1[N+](=O)[O-]
CC(C)(C)NNc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] CC(C)(C)[*:1] O=[N+]([O-])c1c(ncnc1Nc1ccc(F)c(F)c1)NN[*:1]
CC[NH+](CC(=O)Nc1c(C)cccc1C)C1CCCC1 C1CCC(C1)[*:1] CC[NH+](CC(=O)Nc1c(C)cccc1C)[*:1]
Cn1cccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 Cn1cccc1[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
Cn1cccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cn1cccc1C(=O)NNC(=O)c1ccc(cc1)[*:1]
CCCc1cc(NC(=O)[C@H](C)CCC)n(C)n1 CCC[*:1] CCCc1cc(NC(=O)[C@H](C)[*:1])n(C)n1
CCCc1cc(NC(=O)[C@H](C)CCC)n(C)n1 CCC[*:1] CCC[C@@H](C)C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)[C@H](C)CCC)n(C)n1 CCC[C@@H](C)[*:1] CCCc1cc(NC(=O)[*:1])n(C)n1
CN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCc2c1cnn2C O=[N+]([O-])[*:1] CN(C(=O)Nc1ccc(c(Cl)c1)[*:1])[C@H]1CCCc2c1cnn2C
COCc1n[nH]c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2 COC[*:1] COc1ccc(OC)c(c1)[C@H]1C(C#N)=C(N)Oc2[nH]nc(c21)[*:1]
CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nncn1C(C)(C)C Clc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)CSc1nncn1C(C)(C)C
CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nncn1C(C)(C)C CC(C)(C)[*:1] CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nncn1[*:1]
Cc1ccc(C)c(N2CCN(C(=O)CCCc3nnc4c(=O)n(-c5cccc(F)c5)ccn34)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CCCc1nnc2c(=O)n(ccn12)-c1cccc(F)c1)N1CCN(CC1)[*:1]
Cc1ccc(C)c(N2CCN(C(=O)CCCc3nnc4c(=O)n(-c5cccc(F)c5)ccn34)CC2)c1 Fc1cccc(c1)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCCc1nnc2c(=O)n(ccn12)[*:1]
CCOc1cccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 CCO[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
CCOc1cccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] CCOc1cccc(c1)C(=O)N1CCC(CC1)OC[*:1]
CCOc1cccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)C[*:1] CCOc1cccc(c1)C(=O)N1CCC(CC1)O[*:1]
CS(=O)(=O)[N-]c1ccc(N[C@@H]2CC[NH2+]C2)cc1 CS(=O)(=O)[N-][*:1] c1cc(ccc1N[C@@H]1CC[NH2+]C1)[*:1]
CCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2cccc(OC)c2)cc1 CCC(=O)N[*:1] COc1cccc(c1)NC(=O)c1ccc(cc1)-c1ncccc1[*:1]
CCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2cccc(OC)c2)cc1 COc1cccc(c1)[*:1] CCC(=O)Nc1cccnc1-c1ccc(cc1)C(=O)N[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)N[C@H](C)c2ccccc2C)c1 Cc1ccccc1[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)N[C@H](C)[*:1]
C[NH2+][C@@H]1[C@@H]([S@@](=O)C2CCCC2)CCC1(C)C C1CCC(C1)[*:1] C[NH2+][C@@H]1[C@H](CCC1(C)C)[S@@](=O)[*:1]
CCc1ccc2c(CNc3ccccc3C(C)=O)cc(=O)oc2c1 CC(=O)[*:1] CCc1ccc2c(cc(=O)oc2c1)CNc1ccccc1[*:1]
Cn1c(N)nnc1SCC(=O)N[C@@H]1CCOc2ccccc21 Cn1c(N)nnc1[*:1] O=C(CS[*:1])N[C@@H]1CCOc2ccccc21
CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)COC(C)(C)C3 Clc1ccc(cc1)[*:1] CCn1c(=O)n(c(=O)c2c3CC(C)(C)OCc3sc21)[*:1]
Cc1csc(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)n1 Cc1csc(n1)S[*:1] C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[*:1]
Cc1csc(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)n1 C[C@H]1CCCC[C@H]1[*:1] Cc1csc(n1)SCC(=O)NC(=O)N[*:1]
Cc1csc(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)n1 Cc1csc(n1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CS[*:1]
CC(=O)NCCCSc1nc(C)nc2sc(C)c(C)c12 CC(=O)N[*:1] Cc1nc(SCCC[*:1])c2c(C)c(C)sc2n1
CC(=O)NCCCSc1nc(C)nc2sc(C)c(C)c12 CC(=O)NC[*:1] Cc1nc(SCC[*:1])c2c(C)c(C)sc2n1
CC(=O)NCCCSc1nc(C)nc2sc(C)c(C)c12 CC(=O)NCC[*:1] Cc1nc(SC[*:1])c2c(C)c(C)sc2n1
CC1(C)[C@@H](C(=O)Nc2ccc(Cl)c(Br)c2)[C@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)[C@@H](C(=O)Nc2ccc(Cl)c(Br)c2)[C@@H]1[*:1]
Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 c1ccc(nc1)[*:1] Cc1cc(cc(n1)[C@@H]1CCCN(C1)C(=O)C[*:1])Cc1cccc(F)c1
Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 Fc1cccc(c1)[*:1] Cc1cc(cc(n1)[C@@H]1CCCN(C1)C(=O)Cc1ccccn1)C[*:1]
Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 Fc1cccc(c1)C[*:1] Cc1cc(cc(n1)[C@@H]1CCCN(C1)C(=O)Cc1ccccn1)[*:1]
Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 c1ccc(C[*:1])nc1 Cc1cc(cc(n1)[C@@H]1CCCN(C1)C(=O)[*:1])Cc1cccc(F)c1
CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1 Clc1ccccc1C[*:1] CCOC(=O)/C(C#N)=C/c1ccc(cc1)O[*:1]
CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCOC(=O)/C(C#N)=C/c1ccc(cc1)OC[*:1]
CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1 CCOC(=O)[*:1] N#CC(=Cc1ccc(cc1)OCc1ccccc1Cl)[*:1]
CCC[C@H](C[NH3+])[C@H](O)c1cc(OC)c(OC)cc1Br CCC[*:1] COc1cc(Br)c(cc1OC)[C@@H](O)[C@@H](C[NH3+])[*:1]
C[C@@](O)(CNC(=O)NCc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] C[C@@](O)(CNC(=O)N[*:1])c1ccccc1
C[C@@](O)(CNC(=O)NCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)NC[*:1])c1ccccc1
C[C@@](O)(CNC(=O)NCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)NCc1ccccc1)[*:1]
Cc1nn(-c2ccc(F)cc2F)c2c1[C@@H](C(=O)c1ccc3c(c1)OCO3)CC(=O)N2 c1cc2OCOc2cc1[*:1] Cc1nn(-c2ccc(F)cc2F)c2NC(=O)C[C@H](C(=O)[*:1])c12
Cc1nn(-c2ccc(F)cc2F)c2c1[C@@H](C(=O)c1ccc3c(c1)OCO3)CC(=O)N2 Fc1ccc(c(F)c1)[*:1] Cc1nn(c2NC(=O)C[C@H](C(=O)c3ccc4OCOc4c3)c12)[*:1]
CC[NH2+][C@@H](c1ccc(OCC)cc1)c1ccc(F)cn1 CCO[*:1] CC[NH2+][C@@H](c1ccc(cc1)[*:1])c1ccc(F)cn1
C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(cc1Cl)[*:1]
O=C(COc1nc2c3c4c(sc3ncn2n1)CCC4)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1nc2sc3CCCc3c2c2nc(nn12)OC[*:1]
CC[C@@H](C)c1cc(C)c[nH+]c1N CC[C@@H](C)[*:1] Cc1c[nH+]c(N)c(c1)[*:1]
CCSCC[C@@H](C)NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O CCSC[*:1] C[C@H](C[*:1])NC(=O)N[C@H]1CCN(C1=O)c1ccccc1F
CCSCC[C@@H](C)NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O CCS[*:1] C[C@H](CC[*:1])NC(=O)N[C@H]1CCN(C1=O)c1ccccc1F
CCSCC[C@@H](C)NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O CCSCC[*:1] C[C@@H](NC(=O)N[C@H]1CCN(C1=O)c1ccccc1F)[*:1]
CCSCC[C@@H](C)NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] CCSCC[C@@H](C)NC(=O)N[C@H]1CCN(C1=O)[*:1]
CCSCC[C@@H](C)NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O CCSCC[C@@H](C)[*:1] O=C(N[C@H]1CCN(C1=O)c1ccccc1F)N[*:1]
Nc1nc(C2CC2)cn2ccnc12 C1CC1[*:1] Nc1nc(cn2ccnc12)[*:1]
C[C@](O)(CNC(=O)c1cccs1)c1ccc2c(c1)OCO2 c1csc(c1)[*:1] C[C@](O)(CNC(=O)[*:1])c1ccc2OCOc2c1
CCC[NH2+][C@H](c1ccco1)[C@@H]1CSCCO1 CCC[*:1] c1coc(c1)[C@@H]([NH2+][*:1])[C@@H]1CSCCO1
CCC[NH2+][C@H](c1ccco1)[C@@H]1CSCCO1 c1coc(c1)[*:1] CCC[NH2+][C@H]([C@@H]1CSCCO1)[*:1]
CSc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 Cc1cccc(c1C)[*:1] CSc1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CSc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 CSc1cccc(c1)[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1cccc2[nH]c(C[NH2+][C@@H](c3ccc4c(c3)CCO4)C(C)C)nc12 CC(C)[*:1] Cc1cccc2[nH]c(C[NH2+][C@@H](c3ccc4OCCc4c3)[*:1])nc12
O=c1c2ccccc2nc(SCC[NH+]2CCOCC2)n1C1CCCCC1 C1CCC(CC1)[*:1] O=c1c2ccccc2nc(SCC[NH+]2CCOCC2)n1[*:1]
Cc1nc([C@@H]2CCCN2C(=O)c2cnccn2)nc2c1CCC(=O)N2Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] Cc1nc(nc2c1CCC(=O)N2[*:1])[C@@H]1CCCN1C(=O)c1cnccn1
Cc1nc([C@@H]2CCCN2C(=O)c2cnccn2)nc2c1CCC(=O)N2Cc1cccc(F)c1 c1cnc(cn1)[*:1] Cc1nc(nc2c1CCC(=O)N2Cc1cccc(F)c1)[C@@H]1CCCN1C(=O)[*:1]
Cc1nc([C@@H]2CCCN2C(=O)c2cnccn2)nc2c1CCC(=O)N2Cc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nc(nc2c1CCC(=O)N2C[*:1])[C@@H]1CCCN1C(=O)c1cnccn1
Cc1ccc(N2C(=O)C[C@@H](Sc3ncccn3)C2=O)cc1 c1cnc(nc1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](S[*:1])C1=O
Cc1ccc(N2C(=O)C[C@@H](Sc3ncccn3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](Sc2ncccn2)C(=O)N1[*:1]
Cc1ccc(N2C(=O)C[C@@H](Sc3ncccn3)C2=O)cc1 c1cnc(nc1)S[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C1=O)[*:1]
Cc1ccc2oc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc2oc(nc2c1)-c1cc(ccc1O)NC(=O)[*:1]
Cc1ccc2oc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 O=[N+]([O-])[*:1] Cc1ccc2oc(nc2c1)-c1cc(ccc1O)NC(=O)c1cccc(c1)[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] C[C@H](O)CC(C)(C)CNC(=O)N1CC=C(CC1)[*:1]
C[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1[*:1]
COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(Br)c(C)c1)CC2 Cc1cc(ccc1Br)[*:1] COc1cc2CCN(Cc2cc1OC)S(=O)(=O)[*:1]
COC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@@H]1[*:1])C(=O)c1ccc2OCCc2c1
Cc1ccc(CN(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)s1 Cc1ccc(C[*:1])s1 Cc1ccc(c(C)c1NC(=O)N(C)[*:1])[N+](=O)[O-]
Cc1ccc(CN(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)s1 O=[N+]([O-])[*:1] Cc1ccc(CN(C)C(=O)Nc2c(C)ccc(c2C)[*:1])s1
Cc1ccc(CN(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)s1 Cc1ccc(s1)[*:1] Cc1ccc(c(C)c1NC(=O)N(C)C[*:1])[N+](=O)[O-]
COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)Nc4ccc5c(c4)OCO5)c(C)n3n2)c1 c1cc2OCOc2cc1[*:1] COc1cc(cc(c1)-c1nc2nc(C)c(CCC(=O)N[*:1])c(C)n2n1)OC
COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)Nc4ccc5c(c4)OCO5)c(C)n3n2)c1 COc1cc(cc(c1)[*:1])OC Cc1nc2nc(nn2c(C)c1CCC(=O)Nc1ccc2OCOc2c1)[*:1]
CC1(C)CO[C@@H](c2ccccc2Cl)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC1(C)CO[C@H](CN1CC(=O)Nc1ccccc1[*:1])c1ccccc1Cl
CC1(C)CO[C@@H](c2ccccc2Cl)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] Clc1ccccc1[*:1] CC1(C)CO[C@@H](CN1CC(=O)Nc1ccccc1[N+](=O)[O-])[*:1]
CC1(C)CO[C@@H](c2ccccc2Cl)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] CC1(C)CO[C@H](CN1CC(=O)N[*:1])c1ccccc1Cl
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)c1 c1cc(ccn1)C[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1)[*:1]
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)c1 c1cc(ccn1)[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)c1 Cc1ccc(C)c(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2)N1Cc1ccncc1
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)c1 Cc1ccc(C)c(c1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2ccccc2)N1Cc1ccncc1)[*:1]
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N(Cc2ccncc2)[C@@H]1[*:1]
CN(CCOCC1CC1)C(=O)c1ccc(Cl)o1 C1CC1[*:1] CN(CCOC[*:1])C(=O)c1ccc(Cl)o1
CN(CCOCC1CC1)C(=O)c1ccc(Cl)o1 C1CC1C[*:1] CN(CCO[*:1])C(=O)c1ccc(Cl)o1
CN(CCOCC1CC1)C(=O)c1ccc(Cl)o1 C1CC1CO[*:1] CN(CC[*:1])C(=O)c1ccc(Cl)o1
CCn1ccnc1C[NH2+]CC1(CO)CC1 OCC1(CC1)[*:1] CCn1ccnc1C[NH2+]C[*:1]
N#Cc1cccc(CS(=O)(=O)NCCNC(=O)c2cccnc2)c1 c1cncc(c1)[*:1] N#Cc1cccc(c1)CS(=O)(=O)NCCNC(=O)[*:1]
N#Cc1cccc(CS(=O)(=O)NCCNC(=O)c2cccnc2)c1 N#Cc1cccc(c1)[*:1] O=C(NCCNS(=O)(=O)C[*:1])c1cccnc1
CCOC(=O)CN(CC(F)(F)F)C(=O)[C@H]1CCO[C@H]1C FC(F)(F)C[*:1] CCOC(=O)CN(C(=O)[C@H]1CCO[C@H]1C)[*:1]
CCOC(=O)CN(CC(F)(F)F)C(=O)[C@H]1CCO[C@H]1C CCOC(=O)C[*:1] C[C@@H]1OCC[C@@H]1C(=O)N(CC(F)(F)F)[*:1]
CCOC(=O)CN(CC(F)(F)F)C(=O)[C@H]1CCO[C@H]1C FC(F)(F)[*:1] CCOC(=O)CN(C[*:1])C(=O)[C@H]1CCO[C@H]1C
CCOC(=O)CN(CC(F)(F)F)C(=O)[C@H]1CCO[C@H]1C CCOC(=O)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N(CC(F)(F)F)C[*:1]
CC[C@H]([NH3+])[C@@H]1CCOC(C)(C)C1 CC[C@H]([NH3+])[*:1] CC1(C)C[C@@H](CCO1)[*:1]
Cc1nc(CN(C)c2nc(Br)cn3ccnc23)cs1 Cc1nc(cs1)[*:1] CN(C[*:1])c1nc(Br)cn2ccnc12
CCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 CCNC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccccc1C
CCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 CCNC(=O)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1ccccc1C)[*:1]
CCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 Cc1ccccc1[*:1] CCNC(=O)CN(S(=O)(=O)c1ccc(C)cc1)[*:1]
CCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCNC(=O)CN(c1ccccc1C)S(=O)(=O)[*:1]
CCCn1c([O-])c(C(=O)c2ccccc2[N+](=O)[O-])c(C)c(C#N)c1=O O=[N+]([O-])[*:1] CCCn1c([O-])c(C(=O)c2ccccc2[*:1])c(C)c(C#N)c1=O
CCCn1c([O-])c(C(=O)c2ccccc2[N+](=O)[O-])c(C)c(C#N)c1=O CCC[*:1] Cc1c(C(=O)c2ccccc2[N+](=O)[O-])c([O-])n(c(=O)c1C#N)[*:1]
CC(C)(C)Oc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 CC(C)(C)O[*:1] O=C(c1ccc(cc1)[*:1])N1CC[C@@H](C1)C[NH+]1CCCCC1
CC(C)(C)Oc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 CC(C)(C)[*:1] O=C(c1ccc(cc1)O[*:1])N1CC[C@@H](C1)C[NH+]1CCCCC1
COc1c([C@H]2CCCN2C(=O)c2sc(C)nc2C)c(C)nn1C Cc1nc(C)c(s1)[*:1] COc1c(c(C)nn1C)[C@H]1CCCN1C(=O)[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)[C@H](C)C[*:1])c1ccc(cc1)-c1ccncc1
Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 Cc1noc(C)c1C[*:1] C[C@H](NC(=O)[C@H](C)[*:1])c1ccc(cc1)-c1ccncc1
CC(C)[C@H](C)NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl CC(C)[*:1] C[C@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)[*:1]
CC(C)[C@H](C)NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl CC(C)[C@H](C)[*:1] O=C(N[*:1])c1nc(Cl)c(Cl)c(Cl)c1Cl
O=S(=O)(NC1CC1)c1cccc(S(=O)(=O)N[C@H]2CC=CCC2)c1 O=S(=O)(NC1CC1)[*:1] O=S(=O)(N[C@H]1CC=CCC1)c1cccc(c1)[*:1]
O=S(=O)(NC1CC1)c1cccc(S(=O)(=O)N[C@H]2CC=CCC2)c1 C1CC1[*:1] O=S(=O)(N[C@H]1CC=CCC1)c1cccc(c1)S(=O)(=O)N[*:1]
C[NH+](C)C(C)(C)CNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F CC(C)(C)C(=O)N[*:1] C[NH+](C)C(C)(C)CNC(=O)c1cc(ccc1F)[*:1]
C[NH+](C)C(C)(C)CNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F CC(C)(C)[*:1] C[NH+](C)C(C)(C)CNC(=O)c1cc(ccc1F)NC(=O)[*:1]
C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1ccco1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1ccco1)[*:1]
C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1ccco1)[C@@H]1CCCO1 c1coc(c1)[*:1] C[C@@H](NC(=O)c1ccccc1N(C)C(=O)[*:1])[C@@H]1CCCO1
Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)c5ccc(C(C)(C)C)cc5)C4)nc32)c1 CC(C)(C)c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)Cn1nnc2c(=O)[nH]c(nc21)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)c5ccc(C(C)(C)C)cc5)C4)nc32)c1 Cc1ccc(C)c(c1)C[*:1] CC(C)(C)c1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc2c(nnn2[*:1])c(=O)[nH]1
Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)c5ccc(C(C)(C)C)cc5)C4)nc32)c1 Cc1ccc(C)c(c1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc2c(nnn2C[*:1])c(=O)[nH]1
Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)c5ccc(C(C)(C)C)cc5)C4)nc32)c1 CC(C)(C)[*:1] Cc1ccc(C)c(c1)Cn1nnc2c(=O)[nH]c(nc21)[C@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
COCCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCO2 COC[*:1] C[C@H](C(=O)NCC[*:1])S(=O)(=O)c1ccc2OCCOc2c1
COCCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCO2 COCC[*:1] C[C@H](C(=O)NC[*:1])S(=O)(=O)c1ccc2OCCOc2c1
COCCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCO2 COCCC[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)c1ccc2OCCOc2c1
C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1COc2ccccc21 c1cc(cs1)[*:1] C[C@@H](C[*:1])[NH2+]C[C@@H]1COc2ccccc21
C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1COc2ccccc21 c1cc(cs1)C[*:1] C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)[*:1]
CCc1nn(C)c2c1nc(CCl)n2Cc1ccc(C)s1 Cc1ccc(s1)[*:1] CCc1nn(C)c2c1nc(CCl)n2C[*:1]
O=C(NC[C@H](O)c1ccco1)c1ccc(OC(F)F)cc1 O[C@H](c1ccco1)[*:1] O=C(NC[*:1])c1ccc(cc1)OC(F)F
O=C(NC[C@H](O)c1ccco1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(NC[C@H](O)c1ccco1)c1ccc(cc1)[*:1]
O=C(NC[C@H](O)c1ccco1)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(NC[C@H](O)c1ccco1)c1ccc(cc1)O[*:1]
O=C(NC[C@H](O)c1ccco1)c1ccc(OC(F)F)cc1 c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])c1ccc(cc1)OC(F)F
CCOC(=O)C1=C(C)N=C(SC)[N-][C@H]1c1ccc([N+](=O)[O-])cc1 CCOC(=O)[*:1] CSC1=NC(C)=C([C@@H]([N-]1)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCOC(=O)C1=C(C)N=C(SC)[N-][C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCOC(=O)C1=C(C)N=C([N-][C@H]1c1ccc(cc1)[*:1])SC
CS(=O)(=O)NCCNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] CS(=O)(=O)NCCNC(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CS(=O)(=O)NCCNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CS(=O)(=O)N[*:1] O=C(NCC[*:1])Nc1ccc2[nH]c(nc2c1)C(F)F
CS(=O)(=O)NCCNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CS(=O)(=O)NCC[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)N[*:1]
CS(=O)(=O)NCCNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CS(=O)(=O)NC[*:1] O=C(NC[*:1])Nc1ccc2[nH]c(nc2c1)C(F)F
CCN(CC)C(=O)c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4C)CC3)cc12 CCN(CC)C(=O)[*:1] Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(CC1)c1ccn2ncc(c2c1)[*:1]
CCN(CC)C(=O)c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4C)CC3)cc12 Cc1cc(Cl)ccc1[*:1] CCN(CC)C(=O)c1cnn2ccc(cc12)C1CCN(CC1)S(=O)(=O)[*:1]
CO[C@H](C)[C@H](O)c1cc(F)ccc1C CO[C@H](C)[*:1] Cc1ccc(F)cc1[C@@H](O)[*:1]
Clc1ccc2nc(C[NH2+]Cc3cc[nH]c3)cn2c1 c1cc(c[nH]1)[*:1] Clc1ccc2nc(cn2c1)C[NH2+]C[*:1]
Clc1ccc2nc(C[NH2+]Cc3cc[nH]c3)cn2c1 c1cc(c[nH]1)C[*:1] Clc1ccc2nc(cn2c1)C[NH2+][*:1]
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CCO1 c1cncc(c1)[*:1] C[C@@H]1CN(CCO1)C(=O)[C@H]1CC(=O)N(C)[C@H]1[*:1]
Cc1nc(C(=O)N2CC(=O)Nc3cc(Br)ccc32)cs1 Cc1nc(cs1)[*:1] O=C1CN(C(=O)[*:1])c2ccc(Br)cc2N1
O=C(NC1CC[NH+](CC(F)(F)F)CC1)c1cc2c(s1)-c1ccccc1CC2 FC(F)(F)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1cc2CCc3ccccc3-c2s1
CC(C)[C@H](CCO)NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)[C@H](CCO)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)N[*:1]
CC(C)[C@H](CCO)NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 OCC[*:1] CC(C)[C@H](NC(=O)N[C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC(C)[C@H](CCO)NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)N[C@@H](CCO)[*:1]
CC(C)[C@H](CCO)NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC(C)[C@H](CCO)NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
Cc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C
Cc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)cc1[N+](=O)[O-] c1ccc(cc1)C[*:1] Cc1ccc(cc1[N+](=O)[O-])C[NH2+]Cc1c(C)nn(c1C)[*:1]
Cc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C[NH2+]Cc1c(C)nn(C[*:1])c1C
CC(C)N(Cc1cnn(C)c1)C(=O)C[C@H]1OCCc2ccccc21 CC(C)[*:1] Cn1cc(cn1)CN(C(=O)C[C@H]1OCCc2ccccc21)[*:1]
CC(C)N(Cc1cnn(C)c1)C(=O)C[C@H]1OCCc2ccccc21 Cn1cc(cn1)[*:1] CC(C)N(C[*:1])C(=O)C[C@H]1OCCc2ccccc21
CC(C)N(Cc1cnn(C)c1)C(=O)C[C@H]1OCCc2ccccc21 Cn1cc(cn1)C[*:1] CC(C)N(C(=O)C[C@H]1OCCc2ccccc21)[*:1]
CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccc2Br)cc1 CC(C)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1Br
CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccc2Br)cc1 Brc1ccccc1[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccc2Br)cc1 CC(C)NC(=O)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccccc1Br
Cc1cc(S(=O)(=O)N2CCN(c3nnc(C)s3)CC2)c(C)s1 Cc1nnc(s1)[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1cc(S(=O)(=O)N2CCN(c3nnc(C)s3)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1nnc(s1)N1CCN(CC1)S(=O)(=O)[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)C1 c1ccc(cc1)[*:1] CCS[C@@H]1CC[C@H](C1)NC(=O)N(C)[C@@H]1CCN(C1=O)[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)C1 CCS[*:1] CN(C(=O)N[C@@H]1CC[C@H](C1)[*:1])[C@@H]1CCN(C1=O)c1ccccc1
CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 CC(=O)N[*:1] O=C(/C=C\c1ccc(cc1)[*:1])c1ccc(Cl)cc1
CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1ccc(/C=C\C(=O)[*:1])cc1
CC(C)CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 CC(C)CS[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc([nH]c(=O)c1[C@H]2c1ccncc1)[*:1]
CC(C)CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 c1cc(ccn1)[*:1] CC(C)CSc1nc2NC3CC(C)(C)CC(=O)C=3[C@H](c2c(=O)[nH]1)[*:1]
CC(C)CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 CC(C)C[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc([nH]c(=O)c1[C@H]2c1ccncc1)S[*:1]
CC(C)CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 CC(C)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc([nH]c(=O)c1[C@H]2c1ccncc1)SC[*:1]
COc1cc(CN2CC[NH+](Cc3noc(C)n3)CC2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(CN2CC[NH+](CC2)Cc2noc(C)n2)c(cc1OC)[*:1]
COc1cc(CN2CC[NH+](Cc3noc(C)n3)CC2)c([N+](=O)[O-])cc1OC Cc1nc(no1)[*:1] COc1cc(CN2CC[NH+](CC2)C[*:1])c(cc1OC)[N+](=O)[O-]
CCCc1cc(C(=O)NOCC)sc1C CCC[*:1] CCONC(=O)c1cc(c(C)s1)[*:1]
CCc1nn(C)cc1NC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 CCc1nn(C)cc1[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)N[*:1])C2CC2)o1
CCc1nn(C)cc1NC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 C1CC1[*:1] CCc1nn(C)cc1NC(=O)N(Cc1ccc(o1)[C@H]1C[C@H]1C)[*:1]
NC(=O)c1ccn(-c2ccccc2NC(=O)c2cccc(F)c2)n1 NC(=O)[*:1] O=C(Nc1ccccc1-n1ccc(n1)[*:1])c1cccc(F)c1
NC(=O)c1ccn(-c2ccccc2NC(=O)c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] NC(=O)c1ccn(n1)-c1ccccc1NC(=O)[*:1]
NC(=O)c1ccn(-c2ccccc2NC(=O)c2cccc(F)c2)n1 NC(=O)c1ccn(n1)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(F)c1
COc1cc(CC[NH2+][C@H](C)c2cccnc2)ccc1F c1cncc(c1)[*:1] COc1cc(ccc1F)CC[NH2+][C@H](C)[*:1]
CCCn1c(SCc2cc(=O)n3c(C)cccc3n2)n[nH]c1=O CCC[*:1] Cc1cccc2nc(cc(=O)n12)CSc1n[nH]c(=O)n1[*:1]
CC(=O)c1ccccc1NC(=O)c1cc(C#N)cn1C CC(=O)[*:1] Cn1cc(C#N)cc1C(=O)Nc1ccccc1[*:1]
Cn1cc(NC(=O)c2ccsc2)cc(Br)c1=O c1cc(cs1)[*:1] Cn1cc(cc(Br)c1=O)NC(=O)[*:1]
CCc1ccc(-c2noc(CNc3cc(C(=O)NC)ccc3Cl)n2)cc1 CCc1ccc(cc1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NCc1nc(no1)[*:1]
CCc1ccc(-c2noc(CNc3cc(C(=O)NC)ccc3Cl)n2)cc1 CNC(=O)[*:1] CCc1ccc(cc1)-c1noc(CNc2cc(ccc2Cl)[*:1])n1
CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)cc1 N#CC[*:1] CC(C)(C)c1ccc(/C=C2\Oc3cc(ccc3C2=O)O[*:1])cc1
CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)cc1 CC(C)(C)[*:1] N#CCOc1ccc2C(=O)/C(=C/c3ccc(cc3)[*:1])Oc2c1
CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)cc1 N#CCO[*:1] CC(C)(C)c1ccc(/C=C2\Oc3cc(ccc3C2=O)[*:1])cc1
Cc1cc(Oc2ncccn2)ccc1NC(=O)NNc1ccccc1 c1cnc(nc1)[*:1] Cc1cc(ccc1NC(=O)NNc1ccccc1)O[*:1]
Cc1cc(Oc2ncccn2)ccc1NC(=O)NNc1ccccc1 c1cnc(nc1)O[*:1] Cc1cc(ccc1NC(=O)NNc1ccccc1)[*:1]
Cc1cc(Oc2ncccn2)ccc1NC(=O)NNc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)NN[*:1])Oc1ncccn1
CC(C)c1cccc(NC(=O)C(=O)NCc2cccnc2-n2cncn2)c1 CC(C)c1cccc(c1)[*:1] O=C(NCc1cccnc1-n1cncn1)C(=O)N[*:1]
CC(C)c1cccc(NC(=O)C(=O)NCc2cccnc2-n2cncn2)c1 c1ncn(n1)[*:1] CC(C)c1cccc(c1)NC(=O)C(=O)NCc1cccnc1[*:1]
CC(C)c1cccc(NC(=O)C(=O)NCc2cccnc2-n2cncn2)c1 CC(C)[*:1] O=C(NCc1cccnc1-n1cncn1)C(=O)Nc1cccc(c1)[*:1]
CC1=C([C@@H](c2ccc(Cl)cc2)C(C#N)C#N)[C@@H](O)N=N1 N#CC(C#N)[*:1] CC1N=N[C@H](O)C=1[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1nnc(NC(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@H](C)C2)s1 Cc1nnc(s1)[*:1] C[C@@H]1CN(C[C@@H]2CCCN2C(=O)N[*:1])C[C@@H](C)O1
C[C@H](O)C(=O)OCc1ccccc1 C[C@H](O)[*:1] O=C(OCc1ccccc1)[*:1]
COc1ccc(CNC(=O)c2ccccc2F)c(OC)c1 Fc1ccccc1[*:1] COc1ccc(CNC(=O)[*:1])c(c1)OC
Cc1noc(C)c1[C@@H]1CCCN1C(=O)CN1CCNC1=O O=C1NCCN1[*:1] Cc1noc(C)c1[C@@H]1CCCN1C(=O)C[*:1]
Cc1noc(C)c1[C@@H]1CCCN1C(=O)CN1CCNC1=O Cc1noc(C)c1[*:1] O=C1NCCN1CC(=O)N1CCC[C@H]1[*:1]
Cc1noc(C)c1[C@@H]1CCCN1C(=O)CN1CCNC1=O O=C1NCCN1C[*:1] Cc1noc(C)c1[C@@H]1CCCN1C(=O)[*:1]
O=[N+]([O-])c1cccc(Nc2ccnc3cc(Br)ccc23)c1 O=[N+]([O-])[*:1] Brc1ccc2c(ccnc2c1)Nc1cccc(c1)[*:1]
N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2cc(Cl)cc(Cl)c2)c1=O Clc1cc(Cl)cc(c1)[*:1] N#Cc1cc(cn(c1=O)[*:1])C(=O)c1cc(Cl)ccc1O
N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2cc(Cl)cc(Cl)c2)c1=O Oc1ccc(Cl)cc1[*:1] N#Cc1cc(cn(-c2cc(Cl)cc(Cl)c2)c1=O)C(=O)[*:1]
CC(C)COC(=O)N1CCCC[C@H]1[C@@H]1CCCC[C@@H]1O CC(C)C[*:1] O=C(O[*:1])N1CCCC[C@H]1[C@@H]1CCCC[C@@H]1O
CC(C)COC(=O)N1CCCC[C@H]1[C@@H]1CCCC[C@@H]1O CC(C)[*:1] O=C(OC[*:1])N1CCCC[C@H]1[C@@H]1CCCC[C@@H]1O
Cc1ccsc1C(=O)OCC(=O)NC(C)C CC(C)[*:1] Cc1ccsc1C(=O)OCC(=O)N[*:1]
COc1ccc(/C=N/NC(=O)CSCc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(/C=N/NC(=O)CSC[*:1])cc1
Cc1cc(OCC(=O)NCCCNC(=O)c2cccs2)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C(CO[*:1])NCCCNC(=O)c1cccs1
Cc1cc(OCC(=O)NCCCNC(=O)c2cccs2)ccc1Cl O=C(N[*:1])c1cccs1 Cc1cc(ccc1Cl)OCC(=O)NCCC[*:1]
Cc1cc(OCC(=O)NCCCNC(=O)c2cccs2)ccc1Cl c1csc(c1)[*:1] Cc1cc(ccc1Cl)OCC(=O)NCCCNC(=O)[*:1]
C=CCNC(=O)NC(=O)CN1C[C@@H](C)C[C@@H]([NH3+])C1 C=CC[*:1] C[C@H]1C[C@@H]([NH3+])CN(CC(=O)NC(=O)N[*:1])C1
Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCC(=O)N1Cc2ccccc2C1 CC(C)[*:1] Cc1nc(sc1[C@H](C)[NH2+]CCCC(=O)N1Cc2ccccc2C1)[*:1]
CC1(C)CCC[C@H](S(=O)(=O)c2cccs2)[C@H]1[NH3+] c1csc(c1)[*:1] CC1(C)CCC[C@@H]([C@H]1[NH3+])S(=O)(=O)[*:1]
CCOC(=O)C[C@H](C)CNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 CCOC(=O)C[*:1] C[C@H]1CN(C(=O)NC[C@@H](C)[*:1])[C@H]1c1ccccc1
CCOC(=O)C[C@H](C)CNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 CCOC(=O)[*:1] C[C@H](CNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)C[*:1]
CCOC(=O)C[C@H](C)CNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C[C@H](C)CNC(=O)N1C[C@H](C)[C@H]1[*:1]
Cc1ccc(CN(C)C(=O)N[C@H](C)COCC(C)C)s1 CC(C)[*:1] Cc1ccc(CN(C)C(=O)N[C@H](C)COC[*:1])s1
Cc1ccc(CN(C)C(=O)N[C@H](C)COCC(C)C)s1 CC(C)CO[*:1] Cc1ccc(CN(C)C(=O)N[C@H](C)C[*:1])s1
Cc1ccc(CN(C)C(=O)N[C@H](C)COCC(C)C)s1 CC(C)COC[*:1] Cc1ccc(CN(C)C(=O)N[C@H](C)[*:1])s1
Cc1ccc(CN(C)C(=O)N[C@H](C)COCC(C)C)s1 Cc1ccc(s1)[*:1] CC(C)COC[C@@H](C)NC(=O)N(C)C[*:1]
Cc1ccc(CN(C)C(=O)N[C@H](C)COCC(C)C)s1 CC(C)C[*:1] Cc1ccc(CN(C)C(=O)N[C@H](C)CO[*:1])s1
CCOc1ccc(CC(=O)Nn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)CC(=O)Nn1cnc2c(cnn2[*:1])c1=O
CCOc1ccc(CC(=O)Nn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(C[*:1])Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
CCOc1ccc(CC(=O)Nn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
CCOc1ccc(CC(=O)Nn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 CCOc1ccc(cc1)C[*:1] O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)[*:1]
Cc1ccc(C(=O)NCCn2c(C(F)(F)F)nc3cccnc32)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)C(=O)NCCn1c(nc2cccnc21)[*:1]
Cc1ccc(C(=O)NCCn2c(C(F)(F)F)nc3cccnc32)cc1C Cc1ccc(cc1C)[*:1] O=C(NCCn1c(nc2cccnc21)C(F)(F)F)[*:1]
NC(=O)c1ccc(CSc2nncs2)c(N)c1 NC(=O)[*:1] Nc1cc(ccc1CSc1nncs1)[*:1]
NC(=O)c1ccc(CSc2nncs2)c(N)c1 c1nnc(s1)[*:1] NC(=O)c1ccc(CS[*:1])c(N)c1
CC(=O)c1ccc(O)c(C(=O)[O-])c1 CC(=O)[*:1] O=C([O-])c1cc(ccc1O)[*:1]
CC(=O)c1ccc(O)c(C(=O)[O-])c1 O=C([O-])[*:1] CC(=O)c1ccc(O)c(c1)[*:1]
COc1ccc(OCC[C@H](C[NH3+])c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)OCC[C@H](C[NH3+])[*:1]
COC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] COC(=O)N(C)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 COC(=O)N(C)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1csc(C[C@H](C[NH2+]C(C)C)Cc2ccccc2F)n1 CC(C)[*:1] Cc1csc(C[C@H](C[NH2+][*:1])Cc2ccccc2F)n1
Cc1csc(C[C@H](C[NH2+]C(C)C)Cc2ccccc2F)n1 Fc1ccccc1[*:1] Cc1csc(C[C@H](C[NH2+]C(C)C)C[*:1])n1
Cc1csc(C[C@H](C[NH2+]C(C)C)Cc2ccccc2F)n1 Cc1csc(C[*:1])n1 CC(C)[NH2+]C[C@H](Cc1ccccc1F)[*:1]
Cc1csc(C[C@H](C[NH2+]C(C)C)Cc2ccccc2F)n1 Cc1csc(n1)[*:1] CC(C)[NH2+]C[C@H](Cc1ccccc1F)C[*:1]
Cc1ccc(Cl)cc1N(C)C(=O)c1nn(C)c2c1COc1ccccc1-2 Cc1ccc(Cl)cc1[*:1] CN(C(=O)c1nn(C)c2-c3ccccc3OCc12)[*:1]
C[C@@H](CC1CCCC1)C(=O)N[C@H]1C[C@H]1C C1CCC(C1)[*:1] C[C@@H](C[*:1])C(=O)N[C@H]1C[C@H]1C
C[C@@H](CC1CCCC1)C(=O)N[C@H]1C[C@H]1C C[C@@H]1C[C@@H]1[*:1] C[C@@H](CC1CCCC1)C(=O)N[*:1]
C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 c1ccc(cc1)[*:1] C[C@@](C#N)(CC[*:1])NC(=O)[C@@H]1CC(=O)N(C1)CC(F)(F)F
C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 c1ccc(cc1)CC[*:1] C[C@@](C#N)(NC(=O)[C@@H]1CC(=O)N(C1)CC(F)(F)F)[*:1]
C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 c1ccc(cc1)C[*:1] C[C@@](C#N)(C[*:1])NC(=O)[C@@H]1CC(=O)N(C1)CC(F)(F)F
C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(NC1CC1)c1ccc2c(c1)C(=O)CCCO2 O=C(NC1CC1)[*:1] O=C1CCCOc2ccc(cc21)[*:1]
O=C(NC1CC1)c1ccc2c(c1)C(=O)CCCO2 C1CC1[*:1] O=C(N[*:1])c1ccc2OCCCC(=O)c2c1
CCOC(=O)[C@@]1([NH2+]C)CCC[C@H](OC[C@@H]2CCCCO2)C1 C1CC[C@@H](C[*:1])OC1 CCOC(=O)[C@]1(CCC[C@@H](C1)O[*:1])[NH2+]C
CCOC(=O)[C@@]1([NH2+]C)CCC[C@H](OC[C@@H]2CCCCO2)C1 C1CC[C@H](OC1)[*:1] CCOC(=O)[C@]1(CCC[C@@H](C1)OC[*:1])[NH2+]C
CCOC(=O)[C@@]1([NH2+]C)CCC[C@H](OC[C@@H]2CCCCO2)C1 CCOC(=O)[*:1] C[NH2+][C@]1(CCC[C@@H](C1)OC[C@@H]1CCCCO1)[*:1]
O=C([O-])c1nn(-c2ccc(Br)cc2)c(=O)c2ccccc12 Brc1ccc(cc1)[*:1] O=C([O-])c1nn(c(=O)c2ccccc12)[*:1]
O=C([O-])c1nn(-c2ccc(Br)cc2)c(=O)c2ccccc12 O=C([O-])[*:1] O=c1c2ccccc2c(nn1-c1ccc(Br)cc1)[*:1]
CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O CCO[*:1] O=C1N/C(=C/c2cc(I)c(O)c(c2)[*:1])C(=O)N1c1ccc(Cl)cc1
CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O Clc1ccc(cc1)[*:1] CCOc1cc(/C=C2/NC(=O)N(C2=O)[*:1])cc(I)c1O
Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(c2cc(N(C)C)ncn2)C1 CN(C)[*:1] Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(C1)c1cc(ncn1)[*:1]
Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(c2cc(N(C)C)ncn2)C1 Cc1noc(C)c1C[*:1] CN(C)c1cc(ncn1)N1CCC[C@H](C1)NC(=O)[*:1]
Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(c2cc(N(C)C)ncn2)C1 Cc1noc(C)c1[*:1] CN(C)c1cc(ncn1)N1CCC[C@H](C1)NC(=O)C[*:1]
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)[*:1]
CC[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1N(C)C)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1N(C)C)[*:1]
CC[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1N(C)C)c1ccc(OC)cc1 CN(C)[*:1] CC[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1[*:1])c1ccc(cc1)OC
C[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccnc1Br C[C@H](CO)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccnc1Br)[*:1]
C[C@H](Sc1ccccc1F)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 c1csc(c1)[*:1] C[C@H](Sc1ccccc1F)c1nc2scc(c2c(=O)[nH]1)[*:1]
C[C@H](Sc1ccccc1F)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 Fc1ccccc1S[*:1] C[C@H](c1nc2scc(-c3cccs3)c2c(=O)[nH]1)[*:1]
C[C@H](Sc1ccccc1F)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 Fc1ccccc1[*:1] C[C@H](S[*:1])c1nc2scc(-c3cccs3)c2c(=O)[nH]1
CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1 CCSCCOC(=O)[*:1] CC1Nc2ncnn2[C@H](C=1[*:1])c1ccccc1
CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1[*:1]
CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1 CCS[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)OCC[*:1])c1ccccc1
CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1 CCSCC[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)O[*:1])c1ccccc1
CCSCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1 CCSC[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)OC[*:1])c1ccccc1
COC[C@@H](N[C@@H](C)c1ccccc1C)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@H](N[C@@H](C)c1ccccc1C)[*:1]
COC[C@@H](N[C@@H](C)c1ccccc1C)c1ccccc1 COC[*:1] Cc1ccccc1[C@H](C)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)N(C)C)cc1 Cc1ccc(cc1)[*:1] CN(C)S(=O)(=O)N(CC(=O)NC1CC1)[*:1]
Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)N(C)C)cc1 O=C(C[*:1])NC1CC1 Cc1ccc(cc1)N(S(=O)(=O)N(C)C)[*:1]
Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)N(C)C)cc1 C1CC1[*:1] Cc1ccc(cc1)N(CC(=O)N[*:1])S(=O)(=O)N(C)C
Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)N(C)C)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)N(C[*:1])S(=O)(=O)N(C)C
CNC(=O)c1c(C)nc(N)nc1-c1ccc(OC(C)C)cc1 CC(C)[*:1] CNC(=O)c1c(C)nc(N)nc1-c1ccc(cc1)O[*:1]
CNC(=O)c1c(C)nc(N)nc1-c1ccc(OC(C)C)cc1 CNC(=O)[*:1] Cc1nc(N)nc(-c2ccc(cc2)OC(C)C)c1[*:1]
CNC(=O)c1c(C)nc(N)nc1-c1ccc(OC(C)C)cc1 CC(C)O[*:1] CNC(=O)c1c(C)nc(N)nc1-c1ccc(cc1)[*:1]
COCCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 COCC[*:1] Cc1ccc(cc1C)-n1ncc2c1CCC[C@@H]2NC(=O)[*:1]
COCCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 COC[*:1] Cc1ccc(cc1C)-n1ncc2c1CCC[C@@H]2NC(=O)C[*:1]
COCCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 COCCC(=O)N[*:1] Cc1ccc(cc1C)-n1ncc2c1CCC[C@@H]2[*:1]
COCCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] COCCC(=O)N[C@H]1CCCc2c1cnn2[*:1]
C#CCN(CC(=O)[O-])C(=O)N(CCC)CC1CC1 C#CC[*:1] CCCN(CC1CC1)C(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)N(CCC)CC1CC1 CCC[*:1] C#CCN(CC(=O)[O-])C(=O)N(CC1CC1)[*:1]
C#CCN(CC(=O)[O-])C(=O)N(CCC)CC1CC1 O=C([O-])C[*:1] C#CCN(C(=O)N(CCC)CC1CC1)[*:1]
C#CCN(CC(=O)[O-])C(=O)N(CCC)CC1CC1 C1CC1[*:1] C#CCN(CC(=O)[O-])C(=O)N(CCC)C[*:1]
C#CCN(CC(=O)[O-])C(=O)N(CCC)CC1CC1 C1CC1C[*:1] C#CCN(CC(=O)[O-])C(=O)N(CCC)[*:1]
C#CCN(CC(=O)[O-])C(=O)N(CCC)CC1CC1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)N(CCC)CC1CC1
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)[C@@H]2CC=CCC2)cn1 CS(=O)(=O)[*:1] O=C(Nc1cnn(c1)-c1ccccc1[*:1])[C@@H]1CC=CCC1
CC(C)N(Cc1ccccc1)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)N(Cc1ccccc1)C(=O)NC1CCC(CC1)C(=O)O[*:1]
CC(C)N(Cc1ccccc1)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)N(Cc1ccccc1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)[*:1] CC(C)N(Cc1ccccc1)C(=O)NC1CCC(CC1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 c1ccc(cc1)C[*:1] CC(C)N(C(=O)NC1CCC(CC1)C(=O)OC(C)(C)C)[*:1]
CC(C)N(Cc1ccccc1)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)NC1CCC(CC1)C(=O)OC(C)(C)C
COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] COCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1[*:1])C1CC1
COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)C1CC1 COC[*:1] O=C(CN(C(=O)[*:1])C1CC1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1
COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)[*:1]
COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)C1CC1 COCC(=O)N(C1CC1)[*:1] O=C(C[*:1])N1CCc2sccc2[C@H]1c1ccc(Cl)cc1
Cc1cc(NC(=O)CC(C)C)cc(-c2nc3ncccc3o2)c1O CC(C)C[*:1] Cc1cc(cc(-c2nc3ncccc3o2)c1O)NC(=O)[*:1]
Cc1cc(NC(=O)CC(C)C)cc(-c2nc3ncccc3o2)c1O CC(C)[*:1] Cc1cc(cc(-c2nc3ncccc3o2)c1O)NC(=O)C[*:1]
Cc1cc(NC(=O)CC(C)C)cc(-c2nc3ncccc3o2)c1O CC(C)CC(=O)N[*:1] Cc1cc(cc(-c2nc3ncccc3o2)c1O)[*:1]
O=S(=O)(Cc1noc(-c2ccccc2Cl)n1)C1CCCCC1 C1CCC(CC1)[*:1] O=S(=O)(Cc1noc(n1)-c1ccccc1Cl)[*:1]
O=S(=O)(Cc1noc(-c2ccccc2Cl)n1)C1CCCCC1 Clc1ccccc1[*:1] O=S(=O)(Cc1noc(n1)[*:1])C1CCCCC1
C[NH2+][C@H](C)c1ccc(Sc2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[NH2+][C@H](C)c1ccc(cc1)Sc1ccccc1[*:1]
CCc1nn(C)cc1CNC(=O)c1cccc(-n2ccnc2SC)c1 CSc1nccn1[*:1] CCc1nn(C)cc1CNC(=O)c1cccc(c1)[*:1]
CCc1nn(C)cc1CNC(=O)c1cccc(-n2ccnc2SC)c1 CCc1nn(C)cc1[*:1] CSc1nccn1-c1cccc(c1)C(=O)NC[*:1]
COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3OC)c3nc(C)ccc3c2=O)cc1 COc1ccc(cc1)S(=O)(=O)[*:1] COc1ccccc1NC(=O)Cn1cc(c(=O)c2ccc(C)nc21)[*:1]
COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3OC)c3nc(C)ccc3c2=O)cc1 COc1ccccc1[*:1] COc1ccc(cc1)S(=O)(=O)c1cn(CC(=O)N[*:1])c2nc(C)ccc2c1=O
COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3OC)c3nc(C)ccc3c2=O)cc1 COc1ccccc1NC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)c1cn(C[*:1])c2nc(C)ccc2c1=O
COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3OC)c3nc(C)ccc3c2=O)cc1 COc1ccc(cc1)[*:1] COc1ccccc1NC(=O)Cn1cc(c(=O)c2ccc(C)nc21)S(=O)(=O)[*:1]
C[C@@H]([NH2+]C[C@@H](O)c1ccncc1)C1CCCC1 C1CCC(C1)[*:1] C[C@@H]([NH2+]C[C@@H](O)c1ccncc1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC[C@@H]1c1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)N1CCC[C@H]1[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC[C@@H]1c1ccco1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N1CCC[C@@H]1c1ccco1)[*:1]
COc1ccc(Br)cc1/C=C/C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] COc1ccc(Br)cc1/C=C/C(=O)N[*:1]
COc1ccc(Br)cc1/C=C/C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1ccc(Br)cc1/C=C/C(=O)NC[*:1]
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)CCc3ccc4c(c3)OCO4)c2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nn(c(C)c1/C=N/NC(=O)CCc1ccc2OCOc2c1)[*:1]
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)CCc3ccc4c(c3)OCO4)c2C)c(C)c1 c1cc2OCOc2cc1C[*:1] Cc1ccc(c(C)c1)-n1nc(C)c(/C=N/NC(=O)C[*:1])c1C
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)CCc3ccc4c(c3)OCO4)c2C)c(C)c1 c1cc2OCOc2cc1[*:1] Cc1ccc(c(C)c1)-n1nc(C)c(/C=N/NC(=O)CC[*:1])c1C
CCCS(=O)(=O)CC(=O)NCc1ccc(N2CCCC2=O)cc1 CCCS(=O)(=O)[*:1] O=C(C[*:1])NCc1ccc(cc1)N1CCCC1=O
CCCS(=O)(=O)CC(=O)NCc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CCCS(=O)(=O)CC(=O)NCc1ccc(cc1)[*:1]
CCCS(=O)(=O)CC(=O)NCc1ccc(N2CCCC2=O)cc1 CCCS(=O)(=O)C[*:1] O=C1CCCN1c1ccc(cc1)CNC(=O)[*:1]
CCCS(=O)(=O)CC(=O)NCc1ccc(N2CCCC2=O)cc1 CCC[*:1] O=C(CS(=O)(=O)[*:1])NCc1ccc(cc1)N1CCCC1=O
CN(C(=O)CCCCO)C1CCC(C)(C)CC1 OCC[*:1] CN(C(=O)CC[*:1])C1CCC(C)(C)CC1
CN(C(=O)CCCCO)C1CCC(C)(C)CC1 OCCC[*:1] CN(C(=O)C[*:1])C1CCC(C)(C)CC1
CN(C(=O)CCCCO)C1CCC(C)(C)CC1 OCCCC[*:1] CN(C(=O)[*:1])C1CCC(C)(C)CC1
O=C([C@H]1COc2ccc(F)cc2C1)N1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C([C@H]1COc2ccc(F)cc2C1)N1CCC[C@H]1[*:1]
C[C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H]1[NH2+]Cc1cn(nc1-c1ccncc1)[*:1]
C[C@H]1CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 c1cc(ccn1)[*:1] C[C@H]1CCC[C@H]1[NH2+]Cc1cn(nc1[*:1])-c1ccccc1
Cc1nn(CCS(C)(=O)=O)c(C)c1[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 CS(=O)(=O)C[*:1] Cc1nn(C[*:1])c(C)c1[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1
Cc1nn(CCS(C)(=O)=O)c(C)c1[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 CS(=O)(=O)[*:1] Cc1nn(CC[*:1])c(C)c1[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1
Cc1nn(CCS(C)(=O)=O)c(C)c1[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 CS(=O)(=O)CC[*:1] Cc1nn(c(C)c1[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1)[*:1]
C/C(=C/C(=O)OCc1nnc(-c2cccc(C)c2)o1)c1ccc(F)cc1 Cc1cccc(c1)[*:1] C/C(=C/C(=O)OCc1nnc(o1)[*:1])c1ccc(F)cc1
C/C(=C/C(=O)OCc1nnc(-c2cccc(C)c2)o1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=CC(=O)OCc1nnc(o1)-c1cccc(C)c1)[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NCc3cccc(OCC(F)(F)F)c3)c2)n1 FC(F)(F)[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)NCc1cccc(c1)OC[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NCc3cccc(OCC(F)(F)F)c3)c2)n1 FC(F)(F)CO[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)NCc1cccc(c1)[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NCc3cccc(OCC(F)(F)F)c3)c2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCc1cccc(c1)OCC(F)(F)F)Nc1cccc(c1)[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NCc3cccc(OCC(F)(F)F)c3)c2)n1 FC(F)(F)C[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)NCc1cccc(c1)O[*:1]
Nc1c(C(=O)Nc2ccccc2OC(F)F)sc2ncccc12 FC(F)O[*:1] Nc1c(sc2ncccc12)C(=O)Nc1ccccc1[*:1]
Nc1c(C(=O)Nc2ccccc2OC(F)F)sc2ncccc12 FC(F)[*:1] Nc1c(sc2ncccc12)C(=O)Nc1ccccc1O[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)cc1 C1CC(CCO1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])[C@@H]1CC(=O)N(C1)C1CCOCC1
Cc1ccc(-c2cn(C[C@H]3CCCN(S(C)(=O)=O)C3)nn2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)Cn1cc(nn1)[*:1]
CCC(CC)C(=O)N1CCC(NS(=O)(=O)N2CCCCC2)CC1 CCC(CC)[*:1] O=C(N1CCC(CC1)NS(=O)(=O)N1CCCCC1)[*:1]
COC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 Cc1cc(C)c(C)c(c1C)[*:1] COC(=O)c1ccsc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 COC(=O)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)Nc1sccc1[*:1]
COC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 COC(=O)c1ccsc1[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CS(=O)(=O)c1ccc(-c2noc(-c3ccn[nH]3)n2)cc1 CS(=O)(=O)[*:1] c1cc([nH]n1)-c1nc(no1)-c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(-c2noc(-c3ccn[nH]3)n2)cc1 c1cc([nH]n1)[*:1] CS(=O)(=O)c1ccc(cc1)-c1noc(n1)[*:1]
CCCN(C(=O)CCC(F)(F)F)[C@@H]1CCc2ccccc2C1 FC(F)(F)[*:1] CCCN(C(=O)CC[*:1])[C@@H]1CCc2ccccc2C1
CCCN(C(=O)CCC(F)(F)F)[C@@H]1CCc2ccccc2C1 FC(F)(F)C[*:1] CCCN(C(=O)C[*:1])[C@@H]1CCc2ccccc2C1
CCCN(C(=O)CCC(F)(F)F)[C@@H]1CCc2ccccc2C1 FC(F)(F)CC[*:1] CCCN(C(=O)[*:1])[C@@H]1CCc2ccccc2C1
CCCN(C(=O)CCC(F)(F)F)[C@@H]1CCc2ccccc2C1 CCC[*:1] O=C(CCC(F)(F)F)N([C@@H]1CCc2ccccc2C1)[*:1]
Cc1csc(N(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N(C(=O)c1ccc(cc1)-n1cccn1)[*:1]
Cc1csc(N(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc2)n1 Cc1csc(n1)[*:1] O=C(c1ccc(cc1)-n1cccn1)N(c1ccccc1)[*:1]
Cc1csc(N(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc2)n1 c1cnn(c1)[*:1] Cc1csc(n1)N(C(=O)c1ccc(cc1)[*:1])c1ccccc1
Cc1nn(-c2ccc(C(=O)NC3CCCCCC3)cn2)c(C)c1C Cc1nn(c(C)c1C)[*:1] O=C(NC1CCCCCC1)c1ccc(nc1)[*:1]
Cc1nn(-c2ccc(C(=O)NC3CCCCCC3)cn2)c(C)c1C C1CCCC(CC1)[*:1] Cc1nn(-c2ccc(cn2)C(=O)N[*:1])c(C)c1C
COc1cccc([C@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@@H]2c2csnn2)c1 COc1cccc(c1)[*:1] O=C(c1ccc(F)c(F)c1)N1C[C@@H]([C@H](C1)c1csnn1)[*:1]
COc1cccc([C@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@@H]2c2csnn2)c1 Fc1ccc(cc1F)[*:1] COc1cccc(c1)[C@H]1CN(C[C@@H]1c1csnn1)C(=O)[*:1]
CCn1nc(C)c(NC(=O)N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)c1C Fc1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)N2C[C@H](O[C@H](C)C2)[*:1])c1C
C[NH+](C)[C@@H](CNc1ncnc2cc(Cl)ccc12)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H](CNc1ncnc2cc(Cl)ccc12)[*:1]
C[NH+](C)[C@@H](CNc1ncnc2cc(Cl)ccc12)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNc1ncnc2cc(Cl)ccc12)C[*:1]
O=C(COc1cccc(Br)c1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1cccc(Br)c1)NCC[*:1]
COc1ccccc1/C=N/n1c(-c2ccco2)nc2ccccc2c1=O COc1ccccc1[*:1] O=c1c2ccccc2nc(-c2ccco2)n1N=C[*:1]
COc1ccccc1/C=N/n1c(-c2ccco2)nc2ccccc2c1=O c1coc(c1)[*:1] COc1ccccc1/C=N/n1c(nc2ccccc2c1=O)[*:1]
O=[N+]([O-])c1ccc(/C=N\[C@H]2CCCC3=c4cc(Br)ccc4=[NH+][C@@H]32)cc1 O=[N+]([O-])[*:1] Brc1ccc2=[NH+][C@H]3C(CCC[C@@H]3/N=C\c3ccc(cc3)[*:1])=c2c1
COCC[NH2+][C@H](C)c1ccc(O)c(F)c1 COC[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(O)c(F)c1
COCC[NH2+][C@H](C)c1ccc(O)c(F)c1 COCC[*:1] C[C@@H]([NH2+][*:1])c1ccc(O)c(F)c1
CC(C)c1nn(C)cc1CN1C[C@H](c2ccccc2Cl)OC[C@H]1C Clc1ccccc1[*:1] CC(C)c1nn(C)cc1CN1C[C@H](OC[C@H]1C)[*:1]
CC(C)c1nn(C)cc1CN1C[C@H](c2ccccc2Cl)OC[C@H]1C CC(C)[*:1] C[C@@H]1CO[C@H](CN1Cc1cn(C)nc1[*:1])c1ccccc1Cl
COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)[*:1]
COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)C[*:1]
COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(N(C)C)nc1 CN(C)[*:1] COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(nc1)[*:1]
COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(N(C)C)nc1 COC(=O)[*:1] CN(C)c1ccc(cn1)C(=O)N1c2ccccc2C[C@@H]1[*:1]
CC1(C)C[C@@H]([C@H](CCNC(=O)c2cccs2)c2ccccc2)CCO1 O=C(N[*:1])c1cccs1 CC1(C)C[C@H](CCO1)[C@H](CC[*:1])c1ccccc1
CC1(C)C[C@@H]([C@H](CCNC(=O)c2cccs2)c2ccccc2)CCO1 c1ccc(cc1)[*:1] CC1(C)C[C@H](CCO1)[C@H](CCNC(=O)c1cccs1)[*:1]
CC1(C)C[C@@H]([C@H](CCNC(=O)c2cccs2)c2ccccc2)CCO1 c1csc(c1)[*:1] CC1(C)C[C@H](CCO1)[C@H](CCNC(=O)[*:1])c1ccccc1
CCC1=NN(C(=O)c2cccc(OC)c2)[C@](O)(c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] CCC1C[C@@](O)(N(N=1)C(=O)c1cccc(c1)OC)[*:1]
CCC1=NN(C(=O)c2cccc(OC)c2)[C@](O)(c2ccc(Br)cc2)C1 COc1cccc(c1)[*:1] CCC1C[C@@](O)(c2ccc(Br)cc2)N(N=1)C(=O)[*:1]
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)CNC(=O)C(=O)N/N=C/c1ccccc1[*:1]
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])C(=O)N/N=C/c1ccccc1[N+](=O)[O-]
Cc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCCCC3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(c(C)c1S(=O)(=O)N1CCCCCC1)S(=O)(=O)[*:1]
CC(C)C(=O)N1CCC(NC(=O)c2ccccc2OC(F)F)CC1 FC(F)O[*:1] CC(C)C(=O)N1CCC(CC1)NC(=O)c1ccccc1[*:1]
CC(C)C(=O)N1CCC(NC(=O)c2ccccc2OC(F)F)CC1 CC(C)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])c1ccccc1OC(F)F
CC(C)C(=O)N1CCC(NC(=O)c2ccccc2OC(F)F)CC1 FC(F)[*:1] CC(C)C(=O)N1CCC(CC1)NC(=O)c1ccccc1O[*:1]
C[NH2+][C@H](CC(F)(F)F)c1ccc(Br)o1 FC(F)(F)[*:1] C[NH2+][C@H](C[*:1])c1ccc(Br)o1
C[C@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)c1cccc(F)c1)[*:1]
COCC(=O)N1CCCc2ccc(NC(=O)C3(c4cccs4)CC3)cc21 c1csc(c1)C1(CC1)[*:1] COCC(=O)N1CCCc2ccc(cc21)NC(=O)[*:1]
COCC(=O)N1CCCc2ccc(NC(=O)C3(c4cccs4)CC3)cc21 c1csc(c1)[*:1] COCC(=O)N1CCCc2ccc(cc21)NC(=O)C1(CC1)[*:1]
COCC(=O)N1CCCc2ccc(NC(=O)C3(c4cccs4)CC3)cc21 COC[*:1] O=C(Nc1ccc2CCCN(C(=O)[*:1])c2c1)C1(CC1)c1cccs1
CCC1(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CCC1 CCC1(CCC1)[*:1] O=C(N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
CCC1(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CCC1 FC(F)(F)[*:1] CCC1(CCC1)C(=O)N1CC[C@H](C1)Oc1ccc(cn1)[*:1]
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccc(C(F)(F)F)cc2)C1 CC(C)(C)[*:1] O=C([O-])[C@@H]1CN(C[C@@H]1c1ccc(cc1)C(F)(F)F)C(=O)O[*:1]
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccc(C(F)(F)F)cc2)C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1C[C@H](c2ccc(cc2)C(F)(F)F)[C@H](C1)[*:1]
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccc(C(F)(F)F)cc2)C1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@H](C1)c1ccc(cc1)[*:1]
CCc1cccc(NC(=O)CSc2nnc(Cc3c(C)nc4cc(C)ccn4c3=O)n2C)c1 CCc1cccc(c1)[*:1] Cc1ccn2c(=O)c(Cc3nnc(SCC(=O)N[*:1])n3C)c(C)nc2c1
CCc1cccc(NC(=O)CSc2nnc(Cc3c(C)nc4cc(C)ccn4c3=O)n2C)c1 CCc1cccc(c1)NC(=O)[*:1] Cc1ccn2c(=O)c(Cc3nnc(SC[*:1])n3C)c(C)nc2c1
[NH2+]=C1NC[C@H](C2CCOCC2)N1c1ccc(Cl)c(Br)c1 C1CC(CCO1)[*:1] [NH2+]=C1NC[C@H](N1c1ccc(Cl)c(Br)c1)[*:1]
COC(=O)C1=C(C)C(C(=O)COc2ccc(F)c(F)c2)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)COc1ccc(F)c(F)c1
CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12
CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 c1ccc(cc1)C[*:1] CCN(C(=O)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC2CCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCCC1)[C@@H]1CCC(=O)N1C[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)N[*:1]
Cc1c(Cl)ccc2sc(N(Cc3cccnc3)C(=O)c3cnc4ccccc4n3)nc12 c1cncc(c1)C[*:1] Cc1c(Cl)ccc2sc(nc12)N(C(=O)c1cnc2ccccc2n1)[*:1]
Cc1c(Cl)ccc2sc(N(Cc3cccnc3)C(=O)c3cnc4ccccc4n3)nc12 c1cncc(c1)[*:1] Cc1c(Cl)ccc2sc(nc12)N(C[*:1])C(=O)c1cnc2ccccc2n1
Cc1c(Cl)ccc2sc(N(Cc3cccnc3)C(=O)c3cnc4ccccc4n3)nc12 c1ccc2nc(cnc2c1)[*:1] Cc1c(Cl)ccc2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
COc1cc(CN2CCN(C(=O)C[NH+](C)C(C)C)CC2)cc(OC)c1 CC(C)[*:1] COc1cc(cc(c1)OC)CN1CCN(CC1)C(=O)C[NH+](C)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)CCC2CCCCC2)C3)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)CC[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)CCC2CCCCC2)C3)cc1 C1CCC(CC1)C[*:1] Cc1ccc(cc1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)C[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)CCC2CCCCC2)C3)cc1 c1ccn(c1)[*:1] Cc1ccc(cc1)-n1nc2CN(Cc2c1[*:1])C(=O)CCC1CCCCC1
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)CCC2CCCCC2)C3)cc1 C1CCC(CC1)CC[*:1] Cc1ccc(cc1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)CCC2CCCCC2)C3)cc1 Cc1ccc(cc1)[*:1] O=C(CCC1CCCCC1)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
CN1CCc2ccc(NC(=O)C[C@@H](O)c3cccc(F)c3)cc2C1=O Fc1cccc(c1)[*:1] CN1CCc2ccc(cc2C1=O)NC(=O)C[C@@H](O)[*:1]
Cc1ccccc1COc1ccc2c(=O)c(Cl)coc2c1 Cc1ccccc1[*:1] O=c1c(Cl)coc2cc(ccc12)OC[*:1]
COC(=O)CCN(C)C(=O)c1cnc([C@H]2CCCO2)s1 COC(=O)CC[*:1] CN(C(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
COC(=O)CCN(C)C(=O)c1cnc([C@H]2CCCO2)s1 COC(=O)[*:1] CN(CC[*:1])C(=O)c1cnc(s1)[C@H]1CCCO1
COC(=O)CCN(C)C(=O)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] COC(=O)CCN(C)C(=O)c1cnc(s1)[*:1]
COC(=O)CCN(C)C(=O)c1cnc([C@H]2CCCO2)s1 COC(=O)C[*:1] CN(C[*:1])C(=O)c1cnc(s1)[C@H]1CCCO1
Cc1n[nH]c(C(=O)Nc2ccccc2N2CCCC2)n1 Cc1n[nH]c(n1)[*:1] O=C(Nc1ccccc1N1CCCC1)[*:1]
Cc1n[nH]c(C(=O)Nc2ccccc2N2CCCC2)n1 C1CCN(C1)[*:1] Cc1n[nH]c(n1)C(=O)Nc1ccccc1[*:1]
COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1O CC(C)(C)[*:1] COc1ccc(/C=N/NC(=O)c2ccc(cc2)[*:1])cc1O
CC(C)Cc1ccc([C@@H]2OCC[C@H]2C[NH3+])cc1 CC(C)C[*:1] [NH3+]C[C@@H]1CCO[C@H]1c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H]2OCC[C@H]2C[NH3+])cc1 CC(C)[*:1] [NH3+]C[C@@H]1CCO[C@H]1c1ccc(cc1)C[*:1]
O=C(Nc1ccc(F)cc1OC(F)F)c1c(O)cc(F)cc1F FC(F)O[*:1] O=C(Nc1ccc(F)cc1[*:1])c1c(O)cc(F)cc1F
O=C(Nc1ccc(F)cc1OC(F)F)c1c(O)cc(F)cc1F FC(F)[*:1] O=C(Nc1ccc(F)cc1O[*:1])c1c(O)cc(F)cc1F
C[NH+](CC(=O)NCC1CCC1)Cc1ccc(C(F)(F)F)cc1 C1CC(C1)[*:1] C[NH+](CC(=O)NC[*:1])Cc1ccc(cc1)C(F)(F)F
C[NH+](CC(=O)NCC1CCC1)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[NH+](CC(=O)NCC1CCC1)Cc1ccc(cc1)[*:1]
C[NH+](CC(=O)NCC1CCC1)Cc1ccc(C(F)(F)F)cc1 C1CC(C1)C[*:1] C[NH+](CC(=O)N[*:1])Cc1ccc(cc1)C(F)(F)F
O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](c2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](C1)[*:1]
CC(=O)N1CCC(CCC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CC(=O)N1CCC(CCC(=O)N2CCCCC[C@H]2[*:1])CC1
CC(=O)N1CCC(CCC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)CC1 CC(=O)N1CCC(CC1)[*:1] Cc1cccc(c1)[C@H]1CCCCCN1C(=O)CC[*:1]
Cc1csc([C@@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)C(=O)N[*:1]
Cc1csc([C@@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1)[*:1]
COC(=O)C(C)(C)Cn1cc(C)cn1 COC(=O)[*:1] Cc1cnn(c1)CC(C)(C)[*:1]
O=C([O-])[C@H]1CCCN(C(=O)c2cc(Br)ccc2Cl)C1 O=C([O-])[*:1] O=C(c1cc(Br)ccc1Cl)N1CCC[C@@H](C1)[*:1]
CCC1(CC)CC[NH+](CCSc2ccccc2)C1 c1ccc(cc1)[*:1] CCC1(CC)CC[NH+](CCS[*:1])C1
COc1ccc(CNC(=O)NCc2ccnn2C)cc1OC(F)F Cn1nccc1[*:1] COc1ccc(cc1OC(F)F)CNC(=O)NC[*:1]
COc1ccc(CNC(=O)NCc2ccnn2C)cc1OC(F)F Cn1nccc1C[*:1] COc1ccc(cc1OC(F)F)CNC(=O)N[*:1]
COc1ccc(CNC(=O)NCc2ccnn2C)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CNC(=O)NCc1ccnn1C
COc1ccc(CNC(=O)NCc2ccnn2C)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CNC(=O)NCc1ccnn1C
O=C1N=C2C(c3ccccn3)=NS[C@H]2C(=O)N1CCc1cccs1 c1csc(c1)CC[*:1] O=C1N=C2C(=NS[C@H]2C(=O)N1[*:1])c1ccccn1
O=C1N=C2C(c3ccccn3)=NS[C@H]2C(=O)N1CCc1cccs1 c1csc(c1)C[*:1] O=C1N=C2C(=NS[C@H]2C(=O)N1C[*:1])c1ccccn1
O=C1N=C2C(c3ccccn3)=NS[C@H]2C(=O)N1CCc1cccs1 c1csc(c1)[*:1] O=C1N=C2C(=NS[C@H]2C(=O)N1CC[*:1])c1ccccn1
O=C1N=C2C(c3ccccn3)=NS[C@H]2C(=O)N1CCc1cccs1 c1ccc(nc1)[*:1] O=C1N=C2C(=NS[C@H]2C(=O)N1CCc1cccs1)[*:1]
CCOC(=O)C[C@H](C)Nc1ccc2nnc(-c3ccccc3F)n2n1 CCOC(=O)[*:1] C[C@@H](C[*:1])Nc1ccc2nnc(-c3ccccc3F)n2n1
CCOC(=O)C[C@H](C)Nc1ccc2nnc(-c3ccccc3F)n2n1 CCOC(=O)C[*:1] C[C@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)[*:1]
CCOC(=O)C[C@H](C)Nc1ccc2nnc(-c3ccccc3F)n2n1 Fc1ccccc1[*:1] CCOC(=O)C[C@H](C)Nc1ccc2nnc(n2n1)[*:1]
CCCNc1nc(-c2cscc2C)nc2c(C)cccc12 Cc1cscc1[*:1] CCCNc1nc(nc2c(C)cccc12)[*:1]
CCCNc1nc(-c2cscc2C)nc2c(C)cccc12 CCC[*:1] Cc1cscc1-c1nc(N[*:1])c2cccc(C)c2n1
CCCNc1nc(-c2cscc2C)nc2c(C)cccc12 CCCN[*:1] Cc1cscc1-c1nc(c2cccc(C)c2n1)[*:1]
O=C(Cc1cccs1)Nc1cccc(C[NH+]2CCCC2)c1 c1csc(c1)C[*:1] O=C(Nc1cccc(c1)C[NH+]1CCCC1)[*:1]
O=C(Cc1cccs1)Nc1cccc(C[NH+]2CCCC2)c1 c1csc(c1)[*:1] O=C(C[*:1])Nc1cccc(c1)C[NH+]1CCCC1
O=C1N[C@@H](/C=C/c2ccco2)N2CCOC[C@H]12 c1coc(c1)[*:1] O=C1N[C@@H](C=C[*:1])N2CCOC[C@H]12
C[C@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2n1CC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C=C[*:1])c1nc2ccccc2n1CC(=O)c1ccccc1
C[C@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2n1CC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2n1CC(=O)[*:1]
C[C@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2n1CC(=O)c1ccccc1 C(=C[*:1])c1ccccc1 C[C@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)c1ccccc1
C[C@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2n1CC(=O)c1ccccc1 O=C(c1ccccc1)[*:1] C[C@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2n1C[*:1]
C[C@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2n1CC(=O)c1ccccc1 O=C(C[*:1])c1ccccc1 C[C@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2n1[*:1]
CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)cc1 CCc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)/N=C1\CCCCCN1)[*:1]
CC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1cn(C)nc1[*:1]
CC(=O)c1ccc(NC(=O)c2cn(C)nc2-c2ccccc2)cc1 CC(=O)[*:1] Cn1cc(C(=O)Nc2ccc(cc2)[*:1])c(n1)-c1ccccc1
COc1ccc(C)c2sc(N3CCN(C(=O)c4ccc(SC(C)C)cc4)CC3)nc12 CC(C)S[*:1] COc1ccc(C)c2sc(nc12)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COc1ccc(C)c2sc(N3CCN(C(=O)c4ccc(SC(C)C)cc4)CC3)nc12 CC(C)[*:1] COc1ccc(C)c2sc(nc12)N1CCN(CC1)C(=O)c1ccc(cc1)S[*:1]
COc1ccc(C)c2sc(N3CCN(C(=O)c4ccc(SC(C)C)cc4)CC3)nc12 CC(C)Sc1ccc(cc1)[*:1] COc1ccc(C)c2sc(nc12)N1CCN(CC1)C(=O)[*:1]
O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1cccc(c1)[*:1]
CCC[NH2+][C@@H](c1ccc(CC(C)C)cc1)[C@@H]1CCO[C@@H]1C CC(C)C[*:1] CCC[NH2+][C@@H](c1ccc(cc1)[*:1])[C@@H]1CCO[C@@H]1C
CCC[NH2+][C@@H](c1ccc(CC(C)C)cc1)[C@@H]1CCO[C@@H]1C CCC[*:1] CC(C)Cc1ccc(cc1)[C@H]([NH2+][*:1])[C@@H]1CCO[C@@H]1C
CCC[NH2+][C@@H](c1ccc(CC(C)C)cc1)[C@@H]1CCO[C@@H]1C CC(C)[*:1] CCC[NH2+][C@@H](c1ccc(cc1)C[*:1])[C@@H]1CCO[C@@H]1C
O=C(c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N(c1ccccn1)c1ccccn1 c1ccc(nc1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCc2ccccc21)N(c1ccccn1)[*:1]
Cc1cnc(N(C)Cc2ccccc2N2CCOCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(c(c1)[*:1])N(C)Cc1ccccc1N1CCOCC1
Cc1cnc(N(C)Cc2ccccc2N2CCOCC2)c([N+](=O)[O-])c1 C1CN(CCO1)[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N(C)Cc1ccccc1[*:1]
COc1ccc(CC[NH2+]Cc2cnn(-c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC[NH2+]Cc1cnn(c1)[*:1]
Cc1nc(CCC[NH+]2CCN(c3ccc(O)cc3)CC2)cs1 Oc1ccc(cc1)[*:1] Cc1nc(cs1)CCC[NH+]1CCN(CC1)[*:1]
Cc1nc(CCC[NH+]2CCN(c3ccc(O)cc3)CC2)cs1 Cc1nc(cs1)C[*:1] Oc1ccc(cc1)N1CC[NH+](CC1)CC[*:1]
Cc1nc(CCC[NH+]2CCN(c3ccc(O)cc3)CC2)cs1 Cc1nc(cs1)[*:1] Oc1ccc(cc1)N1CC[NH+](CCC[*:1])CC1
Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cccnc5)nc34)c12 c1cncc(c1)[*:1] Cc1cc(nc2sc3c(ncn4nc(nc34)[*:1])c12)C(F)F
Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cccnc5)nc34)c12 FC(F)[*:1] Cc1cc(nc2sc3c(ncn4nc(nc34)-c3cccnc3)c12)[*:1]
CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc(-n2cnnc2)n1 c1nncn1[*:1] CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc(n1)[*:1]
CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc(-n2cnnc2)n1 CC(C)[*:1] O=C(c1cccc(n1)-n1cnnc1)N(CC[NH+]1CCCCCC1)[*:1]
Cc1nnc([C@H](C)N2CC[NH+](Cc3noc(C(C)(C)C)n3)CC2)o1 Cc1nnc(o1)[C@H](C)[*:1] CC(C)(C)c1nc(C[NH+]2CCN(CC2)[*:1])no1
Cc1nnc([C@H](C)N2CC[NH+](Cc3noc(C(C)(C)C)n3)CC2)o1 Cc1nnc(o1)[*:1] C[C@H](N1CC[NH+](CC1)Cc1noc(n1)C(C)(C)C)[*:1]
Cc1nnc([C@H](C)N2CC[NH+](Cc3noc(C(C)(C)C)n3)CC2)o1 CC(C)(C)[*:1] Cc1nnc(o1)[C@H](C)N1CC[NH+](CC1)Cc1noc(n1)[*:1]
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(OC)cc1OC O=C([O-])C[*:1] C=CCN(C(=O)Nc1ccc(cc1OC)OC)[*:1]
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(OC)cc1OC C=CC[*:1] COc1ccc(NC(=O)N(CC(=O)[O-])[*:1])c(c1)OC
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(OC)cc1OC O=C([O-])[*:1] C=CCN(C[*:1])C(=O)Nc1ccc(cc1OC)OC
Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(Cl)nc2)c1 Clc1ccc(cn1)[*:1] Cc1ccc(C)c(c1)NC(=O)CN(C)C(=O)[*:1]
Cc1nc2c(c(NCCNS(C)(=O)=O)n1)Cc1ccccc1OC2 CS(=O)(=O)NC[*:1] Cc1nc2COc3ccccc3Cc2c(n1)NC[*:1]
Cc1nc2c(c(NCCNS(C)(=O)=O)n1)Cc1ccccc1OC2 CS(=O)(=O)NCCN[*:1] Cc1nc2COc3ccccc3Cc2c(n1)[*:1]
Cc1nc2c(c(NCCNS(C)(=O)=O)n1)Cc1ccccc1OC2 CS(=O)(=O)N[*:1] Cc1nc2COc3ccccc3Cc2c(n1)NCC[*:1]
Cc1nc2c(c(NCCNS(C)(=O)=O)n1)Cc1ccccc1OC2 CS(=O)(=O)NCC[*:1] Cc1nc2COc3ccccc3Cc2c(n1)N[*:1]
COC(=O)Cc1n[n-]c(NC(=O)c2nc(C3CC3)n3ccccc23)n1 C1CC1[*:1] COC(=O)Cc1n[n-]c(n1)NC(=O)c1nc(n2ccccc12)[*:1]
COC(=O)Cc1n[n-]c(NC(=O)c2nc(C3CC3)n3ccccc23)n1 COC(=O)C[*:1] O=C(Nc1nc(n[n-]1)[*:1])c1nc(C2CC2)n2ccccc12
COC(=O)Cc1n[n-]c(NC(=O)c2nc(C3CC3)n3ccccc23)n1 COC(=O)[*:1] O=C(Nc1nc(C[*:1])n[n-]1)c1nc(C2CC2)n2ccccc12
CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H]1CC(=O)N(C)C1 Fc1ccc(cc1)C[*:1] CCC[C@H](NC(=O)N[*:1])C(=O)N[C@H]1CC(=O)N(C)C1
CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H]1CC(=O)N(C)C1 Fc1ccc(cc1)[*:1] CCC[C@H](NC(=O)NC[*:1])C(=O)N[C@H]1CC(=O)N(C)C1
CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H]1CC(=O)N(C)C1 CCC[*:1] CN1C[C@H](CC1=O)NC(=O)[C@@H](NC(=O)NCc1ccc(F)cc1)[*:1]
Cc1n[nH]c(SCC(=O)N(C)Cc2ccc(C)s2)n1 Cc1n[nH]c(n1)[*:1] Cc1ccc(CN(C)C(=O)CS[*:1])s1
Cc1n[nH]c(SCC(=O)N(C)Cc2ccc(C)s2)n1 Cc1ccc(s1)[*:1] Cc1n[nH]c(n1)SCC(=O)N(C)C[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(c2nnc(-n3cccc3)s2)CC1 c1ccn(c1)-c1nnc(s1)[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)C1CCN(CC1)[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(c2nnc(-n3cccc3)s2)CC1 c1ccn(c1)[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)C1CCN(CC1)c1nnc(s1)[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(c2nnc(-n3cccc3)s2)CC1 FC(F)(F)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])C1CCN(CC1)c1nnc(s1)-n1cccc1
Cc1ccccc1CN(C)C(=O)CNC(=O)c1ccc(Cl)cc1Cl Cc1ccccc1[*:1] CN(C[*:1])C(=O)CNC(=O)c1ccc(Cl)cc1Cl
Cc1ccccc1CN(C)C(=O)CNC(=O)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] Cc1ccccc1CN(C)C(=O)CNC(=O)[*:1]
Cc1ccccc1CN(C)C(=O)CNC(=O)c1ccc(Cl)cc1Cl Cc1ccccc1C[*:1] CN(C(=O)CNC(=O)c1ccc(Cl)cc1Cl)[*:1]
COCCn1c(C)cc(CN2CCO[C@H](c3ccsc3)C2)c1C COC[*:1] Cc1cc(CN2CCO[C@@H](C2)c2ccsc2)c(C)n1C[*:1]
COCCn1c(C)cc(CN2CCO[C@H](c3ccsc3)C2)c1C COCC[*:1] Cc1cc(CN2CCO[C@@H](C2)c2ccsc2)c(C)n1[*:1]
COCCn1c(C)cc(CN2CCO[C@H](c3ccsc3)C2)c1C c1cc(cs1)[*:1] COCCn1c(C)cc(CN2CCO[C@H](C2)[*:1])c1C
CCCNC(=O)SCc1ccccc1 CCC[*:1] O=C(N[*:1])SCc1ccccc1
Cc1ccc2c(CCNC(=O)c3occc3Br)c[nH]c2c1 Brc1ccoc1[*:1] Cc1ccc2c(c[nH]c2c1)CCNC(=O)[*:1]
CC(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1Cl CC(C)[*:1] O=C([O-])C[C@H](NC(=O)C[*:1])c1ccccc1Cl
CC(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1Cl CC(C)C[*:1] O=C([O-])C[C@H](NC(=O)[*:1])c1ccccc1Cl
CC(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1Cl O=C([O-])[*:1] CC(C)CC(=O)N[C@@H](C[*:1])c1ccccc1Cl
CC(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1Cl O=C([O-])C[*:1] CC(C)CC(=O)N[C@@H](c1ccccc1Cl)[*:1]
CCc1ccc(N)cc1S(=O)(=O)N(CC)C1CCCCC1 C1CCC(CC1)[*:1] CCc1ccc(N)cc1S(=O)(=O)N(CC)[*:1]
CCN(C(=O)CCSc1ccccc1F)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)CCSc1ccccc1F)[*:1]
CCN(C(=O)CCSc1ccccc1F)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] CCN(C(=O)CCS[*:1])[C@H]1CCS(=O)(=O)C1
C[C@@H]1CCC[C@](C#N)([C@H](O)C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1CCC[C@@](C#N)(C1)[C@H](O)[*:1]
Cc1cccc(C(C)C)c1NC(=O)NC[C@](C)(O)c1ccsc1 c1cc(cs1)[*:1] Cc1cccc(c1NC(=O)NC[C@](C)(O)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)NC[C@](C)(O)c1ccsc1 CC(C)[*:1] Cc1cccc(c1NC(=O)NC[C@](C)(O)c1ccsc1)[*:1]
CC[NH2+][C@@H](Cc1ccccc1F)[C@H]1CN(C(C)C)CCO1 CC(C)[*:1] CC[NH2+][C@@H](Cc1ccccc1F)[C@H]1CN(CCO1)[*:1]
CC[NH2+][C@@H](Cc1ccccc1F)[C@H]1CN(C(C)C)CCO1 Fc1ccccc1[*:1] CC[NH2+][C@@H](C[*:1])[C@H]1CN(CCO1)C(C)C
O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1F Fc1ccccc1C[*:1] O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1F c1ccc(cc1)[*:1] O=C1N(Cc2ccccc2F)[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1F Fc1ccccc1[*:1] O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1C[*:1]
CN(C)C(=O)C[C@H](C[NH3+])N(C)C1CCCC1 C1CCC(C1)[*:1] CN(C)C(=O)C[C@H](C[NH3+])N(C)[*:1]
CN(C)C(=O)C[C@H](C[NH3+])N(C)C1CCCC1 CN(C)C(=O)[*:1] CN(C1CCCC1)[C@@H](C[NH3+])C[*:1]
CCn1c2ccccc2c2cc(/C=C/C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)ccc21 NC(=O)[*:1] CCn1c2ccccc2c2cc(/C=C/C(=O)N3C[C@H](CC[C@@H]3C)[*:1])ccc21
COc1ccc(NC(=O)c2cnc(C)cn2)cc1OCC(=O)NC1CC1 O=C(C[*:1])NC1CC1 COc1ccc(cc1O[*:1])NC(=O)c1cnc(C)cn1
COc1ccc(NC(=O)c2cnc(C)cn2)cc1OCC(=O)NC1CC1 Cc1cnc(cn1)[*:1] COc1ccc(cc1OCC(=O)NC1CC1)NC(=O)[*:1]
COc1ccc(NC(=O)c2cnc(C)cn2)cc1OCC(=O)NC1CC1 O=C(CO[*:1])NC1CC1 COc1ccc(cc1[*:1])NC(=O)c1cnc(C)cn1
COc1ccc(NC(=O)c2cnc(C)cn2)cc1OCC(=O)NC1CC1 O=C(NC1CC1)[*:1] COc1ccc(cc1OC[*:1])NC(=O)c1cnc(C)cn1
COc1ccc(NC(=O)c2cnc(C)cn2)cc1OCC(=O)NC1CC1 C1CC1[*:1] COc1ccc(cc1OCC(=O)N[*:1])NC(=O)c1cnc(C)cn1
Cc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 Cc1ccccc1[*:1] C[C@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)N[*:1]
Cc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] Cc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
O=C(Cc1ccccc1F)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 Fc1ccccc1[*:1] O=C(C[*:1])N[C@@H]1C[C@@H]1c1cccc(Cl)c1
O=C(Cc1ccccc1F)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cc1ccccc1F)N[C@@H]1C[C@H]1[*:1]
CCC(=O)N1CCCC[C@H]1c1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] CCC(=O)N1CCCC[C@H]1c1nc(no1)[*:1]
O=C(NCc1ccc(F)cc1)c1nc2cc(Cl)ccn2c1F Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1nc2cc(Cl)ccn2c1F
C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2ccsc2)CC1 C1CC1[*:1] C[C@@H](c1nc(no1)[*:1])N1CCN(CC1)C(=O)c1ccsc1
C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] C[C@@H](c1nc(no1)C1CC1)N1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1cccc([C@@H](C)NC2=[NH+]CCC2)c1 CC(=O)N[*:1] C[C@@H](NC1CCC[NH+]=1)c1cccc(c1)[*:1]
Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(Br)o3)c(=O)[nH]2)c1 Cc1cccc(c1)[*:1] Nc1nc([nH]c(=O)c1NC(=O)c1ccc(Br)o1)SCC(=O)N[*:1]
Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(Br)o3)c(=O)[nH]2)c1 O=C(N[*:1])c1ccc(Br)o1 Cc1cccc(c1)NC(=O)CSc1nc(N)c(c(=O)[nH]1)[*:1]
Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(Br)o3)c(=O)[nH]2)c1 Brc1ccc(o1)[*:1] Cc1cccc(c1)NC(=O)CSc1nc(N)c(NC(=O)[*:1])c(=O)[nH]1
Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(Cc2ccco2)C3=O)cc1Cl c1coc(c1)[*:1] Cc1cc(O)c(cc1Cl)-c1n[nH]c2C(=O)N(C[*:1])[C@@H](c3ccc(F)cc3)c12
Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(Cc2ccco2)C3=O)cc1Cl Cc1cc(O)c(cc1Cl)[*:1] O=C1c2[nH]nc(c2[C@H](c2ccc(F)cc2)N1Cc1ccco1)[*:1]
Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(Cc2ccco2)C3=O)cc1Cl Fc1ccc(cc1)[*:1] Cc1cc(O)c(cc1Cl)-c1n[nH]c2C(=O)N(Cc3ccco3)[C@@H](c12)[*:1]
Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(Cc2ccco2)C3=O)cc1Cl c1coc(c1)C[*:1] Cc1cc(O)c(cc1Cl)-c1n[nH]c2C(=O)N([C@@H](c3ccc(F)cc3)c12)[*:1]
CSCCn1/c(=N/C(C)=O)sc2cc(C)ccc21 CSCC[*:1] CC(=O)/N=c1\sc2cc(C)ccc2n1[*:1]
CSCCn1/c(=N/C(C)=O)sc2cc(C)ccc21 CSC[*:1] CC(=O)/N=c1\sc2cc(C)ccc2n1C[*:1]
C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[*:1]
CC(=O)Nc1c(C)cc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1C CC(=O)N[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1cc(C)c(c(C)c1)[*:1]
C[C@H](Cc1ccc(F)cc1)N[C@@H]1CCCc2cccnc21 Fc1ccc(cc1)[*:1] C[C@H](C[*:1])N[C@@H]1CCCc2cccnc21
COc1ccc(OC)c(-c2ccc(SCC(=O)Nc3ccc(C)cc3C)nn2)c1 Cc1ccc(c(C)c1)[*:1] COc1ccc(OC)c(c1)-c1ccc(nn1)SCC(=O)N[*:1]
COCC(=O)N1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 COC[*:1] Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C1)C(=O)[*:1]
CC[C@@H]1CN(C(=O)CSc2nnc(NCc3ccco3)s2)CCO1 c1coc(c1)CN[*:1] CC[C@@H]1CN(CCO1)C(=O)CSc1nnc(s1)[*:1]
CC[C@@H]1CN(C(=O)CSc2nnc(NCc3ccco3)s2)CCO1 c1coc(c1)[*:1] CC[C@@H]1CN(CCO1)C(=O)CSc1nnc(NC[*:1])s1
CC[C@@H]1CN(C(=O)CSc2nnc(NCc3ccco3)s2)CCO1 c1coc(c1)C[*:1] CC[C@@H]1CN(CCO1)C(=O)CSc1nnc(N[*:1])s1
C[C@](N)(c1nc(-c2ncc[nH]2)no1)C(F)(F)F c1c[nH]c(n1)[*:1] C[C@](N)(c1nc(no1)[*:1])C(F)(F)F
C[C@](N)(c1nc(-c2ncc[nH]2)no1)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(c1nc(no1)-c1ncc[nH]1)[*:1]
Cc1ccc(OCC(=O)N2CCOc3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCOc2ccccc21
COc1ccccc1C(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)[*:1] COc1ccccc1C(=O)N1CC[C@H](C1)OCC[*:1]
COc1ccccc1C(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)CC[*:1] COc1ccccc1C(=O)N1CC[C@H](C1)O[*:1]
COc1ccccc1C(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)C[*:1] COc1ccccc1C(=O)N1CC[C@H](C1)OC[*:1]
COc1ccccc1C(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)CCO[*:1] COc1ccccc1C(=O)N1CC[C@@H](C1)[*:1]
Cc1oc(-c2cccs2)nc1C[NH+](C)CC(=O)[O-] O=C([O-])[*:1] Cc1oc(nc1C[NH+](C)C[*:1])-c1cccs1
Cc1oc(-c2cccs2)nc1C[NH+](C)CC(=O)[O-] c1csc(c1)[*:1] Cc1oc(nc1C[NH+](C)CC(=O)[O-])[*:1]
Cc1nc2ncnn2c(N2CCC(O)(C(F)(F)F)CC2)c1C FC(F)(F)[*:1] Cc1nc2ncnn2c(c1C)N1CCC(O)(CC1)[*:1]
CC(C)CN(CC(F)(F)F)C(=O)CN1C(=O)CC(C)CC1=O CC(C)[*:1] CC1CC(=O)N(CC(=O)N(CC(F)(F)F)C[*:1])C(=O)C1
CC(C)CN(CC(F)(F)F)C(=O)CN1C(=O)CC(C)CC1=O CC(C)C[*:1] CC1CC(=O)N(CC(=O)N(CC(F)(F)F)[*:1])C(=O)C1
CC(C)CN(CC(F)(F)F)C(=O)CN1C(=O)CC(C)CC1=O FC(F)(F)C[*:1] CC(C)CN(C(=O)CN1C(=O)CC(C)CC1=O)[*:1]
CC(C)CN(CC(F)(F)F)C(=O)CN1C(=O)CC(C)CC1=O FC(F)(F)[*:1] CC(C)CN(C[*:1])C(=O)CN1C(=O)CC(C)CC1=O
Cc1[nH]nc(C(=O)NCc2cccc(OCC(F)F)n2)c1[N+](=O)[O-] FC(F)[*:1] Cc1[nH]nc(C(=O)NCc2cccc(n2)OC[*:1])c1[N+](=O)[O-]
Cc1[nH]nc(C(=O)NCc2cccc(OCC(F)F)n2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1[nH]nc(C(=O)NCc2cccc(n2)OCC(F)F)c1[*:1]
Cc1[nH]nc(C(=O)NCc2cccc(OCC(F)F)n2)c1[N+](=O)[O-] FC(F)CO[*:1] Cc1[nH]nc(C(=O)NCc2cccc(n2)[*:1])c1[N+](=O)[O-]
Cc1[nH]nc(C(=O)NCc2cccc(OCC(F)F)n2)c1[N+](=O)[O-] FC(F)C[*:1] Cc1[nH]nc(C(=O)NCc2cccc(n2)O[*:1])c1[N+](=O)[O-]
C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C(N)=O)C(C)(C)C NC(=O)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C(C)(C)C)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C(N)=O)C(C)(C)C CC(C)(C)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C(N)=O)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C(N)=O)C(C)(C)C Clc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)N[C@H](C(N)=O)C(C)(C)C
O=C(Nc1cccnc1Cl)C(=O)N[C@H]1CCCc2cc(F)ccc21 Clc1ncccc1[*:1] O=C(N[C@H]1CCCc2cc(F)ccc21)C(=O)N[*:1]
COc1ccc(F)cc1NC(=O)CNC(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccc(F)cc1NC(=O)CNC(=O)[*:1]
O=C(/C=C/c1cccnc1)Nc1ccc(C(=O)Nc2nccs2)cc1 C(=C[*:1])c1cccnc1 O=C(Nc1nccs1)c1ccc(cc1)NC(=O)[*:1]
O=C(/C=C/c1cccnc1)Nc1ccc(C(=O)Nc2nccs2)cc1 O=C(Nc1nccs1)[*:1] O=C(/C=C/c1cccnc1)Nc1ccc(cc1)[*:1]
O=C(/C=C/c1cccnc1)Nc1ccc(C(=O)Nc2nccs2)cc1 c1cncc(c1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)C(=O)Nc1nccs1
O=C(/C=C/c1cccnc1)Nc1ccc(C(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] O=C(/C=C/c1cccnc1)Nc1ccc(cc1)C(=O)N[*:1]
Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1c(C)sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1[*:1]
Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2[*:1])c1C(N)=O
Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)cc1 Cc1ccc(cc1)[*:1] Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(N)=O)c1[*:1]
COc1cnc(N2CCC([C@H](O)CC(C)C)CC2)nc1 CC(C)C[*:1] COc1cnc(nc1)N1CCC(CC1)[C@H](O)[*:1]
COc1cnc(N2CCC([C@H](O)CC(C)C)CC2)nc1 CC(C)[*:1] COc1cnc(nc1)N1CCC(CC1)[C@H](O)C[*:1]
COc1cnc(N2CCC([C@H](O)CC(C)C)CC2)nc1 CC(C)C[C@@H](O)[*:1] COc1cnc(nc1)N1CCC(CC1)[*:1]
COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)[C@H](CC(C)C)NC(=O)[*:1]
COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2Cl)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](C[*:1])NC(=O)c1ccccc1Cl
COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2Cl)cc1 CC(C)C[*:1] COc1ccc(cc1)[C@H](NC(=O)c1ccccc1Cl)[*:1]
CC[C@H](Nc1nccn2cnnc12)c1ccccc1OC(F)F FC(F)O[*:1] CC[C@H](Nc1nccn2cnnc12)c1ccccc1[*:1]
CC[C@H](Nc1nccn2cnnc12)c1ccccc1OC(F)F FC(F)[*:1] CC[C@H](Nc1nccn2cnnc12)c1ccccc1O[*:1]
COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 COc1ccc(cc1)[*:1] CC(=NNC(=O)c1cc(n[nH]1)-c1ccco1)[*:1]
COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)/C(C)=N/NC(=O)c1cc(n[nH]1)[*:1]
O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)[C@@H]1COCCO1 Fc1cccc(c1)C[*:1] O=C(Nc1ccc(O[*:1])c(F)c1)[C@@H]1COCCO1
O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)[C@@H]1COCCO1 Fc1cccc(c1)[*:1] O=C(Nc1ccc(OC[*:1])c(F)c1)[C@@H]1COCCO1
COc1nc(N2CCN(C(=O)C3CCC3)CC2)ncc1Br C1CC(C1)[*:1] COc1nc(ncc1Br)N1CCN(CC1)C(=O)[*:1]
CC1(C)OC[C@@H](CNC(=O)Nc2ccccc2Oc2ccccc2)O1 c1ccc(cc1)O[*:1] CC1(C)OC[C@@H](CNC(=O)Nc2ccccc2[*:1])O1
CC1(C)OC[C@@H](CNC(=O)Nc2ccccc2Oc2ccccc2)O1 c1ccc(cc1)[*:1] CC1(C)OC[C@@H](CNC(=O)Nc2ccccc2O[*:1])O1
O=C(CN1CCN(c2cccc[nH+]2)CC1)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(CN1CCN(CC1)c1cccc[nH+]1)N[C@@H](CO)[*:1]
O=C(CN1CCN(c2cccc[nH+]2)CC1)N[C@@H](CO)c1ccco1 OC[C@@H](c1ccco1)[*:1] O=C(CN1CCN(CC1)c1cccc[nH+]1)N[*:1]
Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)s1 Cc1ccc(s1)[*:1] O=C([O-])c1cc2OCCOc2cc1NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)s1 O=C([O-])[*:1] Cc1ccc(s1)S(=O)(=O)Nc1cc2OCCOc2cc1[*:1]
CC[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccccc1C#N Nc1nc(n[nH]1)[*:1] CC[C@@H](S[*:1])C(=O)Nc1ccccc1C#N
CC[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccccc1C#N Nc1nc(n[nH]1)S[*:1] CC[C@@H](C(=O)Nc1ccccc1C#N)[*:1]
C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C[NH3+])C[C@@H]1C FC(F)(F)[*:1] C[C@@H]1CN(C[C@@H]1C)c1nc(ccc1C[NH3+])[*:1]
CCOC(=O)c1cnn2c1N[C@H]([C@@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)C[C@@H]2C(F)(F)F CCOC(=O)[*:1] O=C([C@@H]1CCCO1)N1CCC[C@H](C1)[C@@H]1C[C@@H](n2ncc(c2N1)[*:1])C(F)(F)F
CCOC(=O)c1cnn2c1N[C@H]([C@@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)C[C@@H]2C(F)(F)F FC(F)(F)[*:1] CCOC(=O)c1cnn2c1N[C@@H](C[C@H]2[*:1])[C@@H]1CCCN(C1)C(=O)[C@@H]1CCCO1
CCOC(=O)c1cnn2c1N[C@H]([C@@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)C[C@@H]2C(F)(F)F C1CO[C@@H](C1)[*:1] CCOC(=O)c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)[C@@H]1CCCN(C1)C(=O)[*:1]
C[C@H](CCn1cncn1)[NH2+][C@H]1CCc2c(Br)cccc21 c1ncn(n1)[*:1] C[C@H](CC[*:1])[NH2+][C@H]1CCc2c(Br)cccc21
C[C@H](CCn1cncn1)[NH2+][C@H]1CCc2c(Br)cccc21 c1ncn(C[*:1])n1 C[C@H](C[*:1])[NH2+][C@H]1CCc2c(Br)cccc21
Fc1cccnc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 C1C[C@H](CO1)C[*:1] Fc1cccnc1CN[C@@H](c1ccccc1)[*:1]
Fc1cccnc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 Fc1cccnc1[*:1] c1ccc(cc1)[C@H](C[C@@H]1CCOC1)NC[*:1]
Fc1cccnc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 c1ccc(cc1)[*:1] Fc1cccnc1CN[C@@H](C[C@@H]1CCOC1)[*:1]
Fc1cccnc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 C1C[C@H](CO1)[*:1] Fc1cccnc1CN[C@@H](C[*:1])c1ccccc1
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)C1 c1coc(c1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)[C@@H]1C[C@H]1[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)C1 CCNS(=O)(=O)[*:1] O=C([C@@H]1C[C@@H]1c1ccco1)N1CC[C@H](C1)[*:1]
CC(C)[C@H]([NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@H]([NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21)c1nc(no1)[*:1]
CC(C)[C@H]([NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21)c1nc(C2CC2)no1 CC(C)[*:1] CC1(C)C[C@H]([NH2+][C@H](c2nc(no2)C2CC2)[*:1])c2ccc(F)cc2O1
CC(C)[C@H]([NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@H]([NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21)[*:1]
CN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 c1ccc(cc1)C[*:1] CN(C(=O)Nc1cccc(c1)C(=O)N1CCc2ccccc21)[*:1]
CN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)C(=O)N1CCc2ccccc21
CC(=O)Nc1ccc(CCCc2ccc(NC(C)=O)cc2)cc1 CC(=O)N[*:1] CC(=O)Nc1ccc(cc1)CCCc1ccc(cc1)[*:1]
Cc1ccccc1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 Cc1ccccc1[*:1] C[C@H](OC(=O)[*:1])C(=O)NC1(C#N)CCCCC1
CCc1onc(C)c1NC(=O)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C CCc1onc(C)c1[*:1] CC[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)N[*:1]
CCc1onc(C)c1NC(=O)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CCc1onc(C)c1NC(=O)[C@@]1(CC)CCCN1C(=O)O[*:1]
CCCc1cc(=O)oc2c3c(ccc12)OC[NH+](Cc1ccco1)C3 c1coc(c1)[*:1] CCCc1cc(=O)oc2c3C[NH+](COc3ccc12)C[*:1]
CCCc1cc(=O)oc2c3c(ccc12)OC[NH+](Cc1ccco1)C3 c1coc(c1)C[*:1] CCCc1cc(=O)oc2c3C[NH+](COc3ccc12)[*:1]
CCCc1cc(=O)oc2c3c(ccc12)OC[NH+](Cc1ccco1)C3 CCC[*:1] O=c1cc(c2ccc3OC[NH+](Cc4ccco4)Cc3c2o1)[*:1]
NC1=[NH+]CC2(CC[NH2+]CC2)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] NC1=[NH+]CC2(CC[NH2+]CC2)N1C[*:1]
Clc1ccc(-c2cnc(CSc3nc(CN4CCOCC4)nc4ccccc34)o2)cc1 C1CN(CCO1)[*:1] Clc1ccc(cc1)-c1cnc(CSc2nc(C[*:1])nc3ccccc23)o1
Clc1ccc(-c2cnc(CSc3nc(CN4CCOCC4)nc4ccccc34)o2)cc1 C1CN(CCO1)C[*:1] Clc1ccc(cc1)-c1cnc(CSc2nc(nc3ccccc23)[*:1])o1
Clc1ccc(-c2cnc(CSc3nc(CN4CCOCC4)nc4ccccc34)o2)cc1 Clc1ccc(cc1)[*:1] c1ccc2c(nc(CN3CCOCC3)nc2c1)SCc1ncc(o1)[*:1]
Cc1ccccc1OCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] Cc1ccccc1O[*:1] O=C(C[*:1])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
Cc1ccccc1OCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] Cc1ccccc1[*:1] O=C(CO[*:1])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
Cc1ccccc1OCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1OCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CCOc1ccc(-c2csc(NC(=O)COc3cccc(C)c3C)n2)cc1 CCO[*:1] Cc1cccc(OCC(=O)Nc2nc(cs2)-c2ccc(cc2)[*:1])c1C
CCOc1ccc(-c2csc(NC(=O)COc3cccc(C)c3C)n2)cc1 Cc1cccc(O[*:1])c1C CCOc1ccc(cc1)-c1csc(n1)NC(=O)C[*:1]
CCOc1ccc(-c2csc(NC(=O)COc3cccc(C)c3C)n2)cc1 CCOc1ccc(cc1)[*:1] Cc1cccc(OCC(=O)Nc2nc(cs2)[*:1])c1C
CCOc1ccc(-c2csc(NC(=O)COc3cccc(C)c3C)n2)cc1 Cc1cccc(c1C)[*:1] CCOc1ccc(cc1)-c1csc(n1)NC(=O)CO[*:1]
Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](Cn3nnc4c(O)nc(C)nc43)C2)cc1 Cc1ccc(cc1)[C@@H](C)[*:1] Cc1nc(O)c2nnn(C[C@H]3CCCN(C3)C(=O)[*:1])c2n1
Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](Cn3nnc4c(O)nc(C)nc43)C2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(O)c2nnn(C[C@H]3CCCN(C3)C(=O)[C@H](C)[*:1])c2n1
C[C@@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)C(=O)Nc1cccc(Cl)c1 O=C(Nc1cccc(Cl)c1)[*:1] C[C@@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)[*:1]
C[C@@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)C(=O)N[*:1]
C[C@@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)C(=O)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc2n(c(=O)c3ccccc3n12)[*:1])C(=O)Nc1cccc(Cl)c1
O=C(NCc1ccccc1OC1CCCC1)N1CCN(c2ncccn2)CC1 C1CCC(C1)[*:1] O=C(NCc1ccccc1O[*:1])N1CCN(CC1)c1ncccn1
O=C(NCc1ccccc1OC1CCCC1)N1CCN(c2ncccn2)CC1 C1CCC(C1)O[*:1] O=C(NCc1ccccc1[*:1])N1CCN(CC1)c1ncccn1
O=C(NCc1ccccc1OC1CCCC1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(NCc1ccccc1OC1CCCC1)N1CCN(CC1)[*:1]
CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](O)c3ccccc3)cn2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)C[C@@H](O)[*:1]
CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](O)c3ccccc3)cn2)CC1 O[C@H](C[*:1])c1ccccc1 CC[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)[*:1]
CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](O)c3ccccc3)cn2)CC1 O[C@@H](c1ccccc1)[*:1] CC[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)C[*:1]
O=S(=O)(c1ccc(F)cc1F)N1CC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=S(=O)(c1ccc(F)cc1F)N1CC[C@@H](C1)[*:1]
O=S(=O)(c1ccc(F)cc1F)N1CC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)cc1F)N1CC[C@H](C1)N[*:1]
CC[C@](C)(CCO)NC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 OCC[*:1] CC[C@](C)(NC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
CC[C@](C)(CCO)NC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] CC[C@](C)(CCO)NC(=O)N[C@H]1CCCC[C@H]1[*:1]
CC[C@](C)(CCO)NC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 CC[C@](C)(CCO)[*:1] O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)N[*:1]
CC[C@](C)(CCO)NC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] CC[C@](C)(CCO)NC(=O)N[C@H]1CCCC[C@@H]1O[*:1]
Cc1nnsc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 Cc1nnsc1[*:1] O=C(N/N=C/c1ccc(s1)[N+](=O)[O-])[*:1]
Cc1nnsc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] Cc1nnsc1C(=O)N/N=C/c1ccc(s1)[*:1]
Cc1nc([C@@H]2CCCCN2Cc2ccc[nH+]c2N(C)C)ncc1C(=O)Nc1ccccc1F Fc1ccccc1[*:1] Cc1nc(ncc1C(=O)N[*:1])[C@@H]1CCCCN1Cc1ccc[nH+]c1N(C)C
Cc1nc([C@@H]2CCCCN2Cc2ccc[nH+]c2N(C)C)ncc1C(=O)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] Cc1nc(ncc1[*:1])[C@@H]1CCCCN1Cc1ccc[nH+]c1N(C)C
Cc1nc([C@@H]2CCCCN2Cc2ccc[nH+]c2N(C)C)ncc1C(=O)Nc1ccccc1F CN(C)[*:1] Cc1nc(ncc1C(=O)Nc1ccccc1F)[C@@H]1CCCCN1Cc1ccc[nH+]c1[*:1]
Cc1occc1C(=O)N/N=C/c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1occc1C(=O)N/N=C/c1ccc(cc1)[*:1]
Cc1occc1C(=O)N/N=C/c1ccc(C(C)C)cc1 Cc1occc1[*:1] CC(C)c1ccc(/C=N/NC(=O)[*:1])cc1
COc1ccc(CCn2c(-c3cccnc3)cc(C(=O)[O-])c2C)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)CCn1c(cc(c1C)[*:1])-c1cccnc1
COc1ccc(CCn2c(-c3cccnc3)cc(C(=O)[O-])c2C)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)CCn1c(cc(C(=O)[O-])c1C)[*:1]
Cc1cccc(CN(Cc2noc(C(C)(C)C)n2)Cc2cccc(C)[nH+]2)n1 CC(C)(C)c1nc(no1)[*:1] Cc1cccc(CN(Cc2cccc(C)[nH+]2)C[*:1])n1
Cc1cccc(CN(Cc2noc(C(C)(C)C)n2)Cc2cccc(C)[nH+]2)n1 Cc1cccc(C[*:1])n1 Cc1cccc(CN(Cc2noc(n2)C(C)(C)C)[*:1])[nH+]1
Cc1cccc(CN(Cc2noc(C(C)(C)C)n2)Cc2cccc(C)[nH+]2)n1 CC(C)(C)[*:1] Cc1cccc(CN(Cc2noc(n2)[*:1])Cc2cccc(C)[nH+]2)n1
Cc1cccc(CN(Cc2noc(C(C)(C)C)n2)Cc2cccc(C)[nH+]2)n1 Cc1cccc(n1)[*:1] Cc1cccc(CN(Cc2noc(n2)C(C)(C)C)C[*:1])[nH+]1
Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c1 Fc1ccc(cc1Cl)[*:1] Cc1cccc(c1)NC(=O)C[C@@H]1SC(=N[*:1])N(C)C1=O
Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c1 Cc1cccc(c1)[*:1] CN1C(=O)[C@H](CC(=O)N[*:1])S/C1=N/c1ccc(F)c(Cl)c1
Cc1ccc(N(C)CC[C@H]2CCC[C@]2([NH3+])C(N)=O)c(C)c1 NC(=O)[*:1] Cc1ccc(c(C)c1)N(C)CC[C@H]1CCC[C@@]1([NH3+])[*:1]
C#C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CC1 C1CC1[*:1] C#C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)[*:1]
CCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccc(C)cc3)C2)c(C)n1 CCn1cc(c(C)n1)[*:1] Cc1ccc(cc1)-c1cn[nH]c1[C@H]1CCCN(C1)C(=O)[*:1]
CCn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccc(C)cc3)C2)c(C)n1 Cc1ccc(cc1)[*:1] CCn1cc(C(=O)N2CCC[C@@H](C2)c2[nH]ncc2[*:1])c(C)n1
Cc1cc([C@@](C)(O)CNC(=O)[C@H]2CCCN2C(=O)C2CCCC2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@](O)(CNC(=O)[C@H]1CCCN1C(=O)C1CCCC1)[*:1]
Cc1cc([C@@](C)(O)CNC(=O)[C@H]2CCCN2C(=O)C2CCCC2)c(C)o1 C1CCC(C1)[*:1] Cc1cc(c(C)o1)[C@@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)[*:1]
C=C(C)CC(C)(C)C[C@@H](C)[NH2+]CC C=C(C)C[*:1] CC[NH2+][C@H](C)CC(C)(C)[*:1]
C=C(C)CC(C)(C)C[C@@H](C)[NH2+]CC C=C(C)[*:1] CC[NH2+][C@H](C)CC(C)(C)C[*:1]
CC[C@H](C)[C@@H](C[NH3+])c1cc(C)ccc1OC CC[C@H](C)[*:1] COc1ccc(C)cc1[C@H](C[NH3+])[*:1]
Cc1cc(OCC(=O)N[C@@H](CO)C(=O)[O-])no1 O=C([O-])[*:1] Cc1cc(no1)OCC(=O)N[C@@H](CO)[*:1]
Cc1nnc(C[NH+](C)C2CCC(c3ccc(O)cc3)CC2)n1C Oc1ccc(cc1)[*:1] Cc1nnc(C[NH+](C)C2CCC(CC2)[*:1])n1C
Cc1nnc(C[NH+](C)C2CCC(c3ccc(O)cc3)CC2)n1C Cc1nnc(n1C)[*:1] C[NH+](C[*:1])C1CCC(CC1)c1ccc(O)cc1
COC(=O)c1cccc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1 COC(=O)[*:1] Cc1nc(CN2CCN(CC2)c2cccc(n2)[*:1])oc1C
COC(=O)c1cccc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1 Cc1nc(oc1C)[*:1] COC(=O)c1cccc(n1)N1CCN(CC1)C[*:1]
COC(=O)c1cccc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1 Cc1nc(C[*:1])oc1C COC(=O)c1cccc(n1)N1CCN(CC1)[*:1]
CCCc1nc(CN(CC)C(=O)C[C@@H]2C(=O)N=C(C)N=C2C)no1 CCCc1nc(no1)[*:1] CCN(C[*:1])C(=O)C[C@@H]1C(=O)N=C(C)N=C1C
CCCc1nc(CN(CC)C(=O)C[C@@H]2C(=O)N=C(C)N=C2C)no1 CCC[*:1] CCN(Cc1noc(n1)[*:1])C(=O)C[C@@H]1C(=O)N=C(C)N=C1C
COc1ccc(OC)c(NC(=O)N(C)Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)c1 O=C(N1CCCC1)[*:1] COc1ccc(OC)c(c1)NC(=O)N(C)Cc1nc2cc(ccc2n1C)[*:1]
COc1ccc(OC)c(NC(=O)N(C)Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)c1 COc1ccc(OC)c(c1)[*:1] CN(Cc1nc2cc(ccc2n1C)C(=O)N1CCCC1)C(=O)N[*:1]
COc1ccccc1N1C(=O)N(Cc2cccc(C#N)c2)c2ccccc2S1(=O)=O N#Cc1cccc(c1)C[*:1] COc1ccccc1N1C(=O)N(c2ccccc2S1(=O)=O)[*:1]
COc1ccccc1N1C(=O)N(Cc2cccc(C#N)c2)c2ccccc2S1(=O)=O N#Cc1cccc(c1)[*:1] COc1ccccc1N1C(=O)N(C[*:1])c2ccccc2S1(=O)=O
COc1ccccc1N1C(=O)N(Cc2cccc(C#N)c2)c2ccccc2S1(=O)=O COc1ccccc1[*:1] N#Cc1cccc(c1)CN1C(=O)N(S(=O)(=O)c2ccccc21)[*:1]
O=C(CCC1=c2ccccc2=[NH+]C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)Nc1cccc(c1)[*:1]
O=C(Nc1ccccc1S(=O)(=O)C(F)F)C1CC1 O=C(N[*:1])C1CC1 O=S(=O)(c1ccccc1[*:1])C(F)F
O=C(Nc1ccccc1S(=O)(=O)C(F)F)C1CC1 FC(F)[*:1] O=C(Nc1ccccc1S(=O)(=O)[*:1])C1CC1
O=C(Nc1ccccc1S(=O)(=O)C(F)F)C1CC1 C1CC1[*:1] O=C(Nc1ccccc1S(=O)(=O)C(F)F)[*:1]
O=C(Nc1ccccc1S(=O)(=O)C(F)F)C1CC1 O=S(=O)(C(F)F)[*:1] O=C(Nc1ccccc1[*:1])C1CC1
Cc1ccc(NC(=O)CSc2nccn(-c3ccc(Br)c(C)c3)c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ccc1Br)-n1ccnc(SCC(=O)N[*:1])c1=O
Cc1ccc(NC(=O)CSc2nccn(-c3ccc(Br)c(C)c3)c2=O)cc1 Cc1cc(ccc1Br)[*:1] Cc1ccc(cc1)NC(=O)CSc1nccn(c1=O)[*:1]
CC[C@@H](C(=O)[O-])n1c(SCc2cccc(C(F)(F)F)c2)[nH+]c2ccncc21 O=C([O-])[*:1] CC[C@@H](n1c([nH+]c2ccncc21)SCc1cccc(c1)C(F)(F)F)[*:1]
CC[C@@H](C(=O)[O-])n1c(SCc2cccc(C(F)(F)F)c2)[nH+]c2ccncc21 FC(F)(F)[*:1] CC[C@@H](C(=O)[O-])n1c([nH+]c2ccncc21)SCc1cccc(c1)[*:1]
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)N(C)[*:1]
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 COc1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)N(C)S(=O)(=O)[*:1])c1ccccc1
Cc1ccc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)C(c1ccccc1)c1ccccc1
Cc1ccc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)C(c1ccccc1)c1ccccc1)[*:1]
Cc1ccc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(CN(C)C(=O)C(c2ccccc2)[*:1])o1
O=C1CCCC2=C1[C@@H](c1ccccc1)Nc1ccc3ccccc3c12 c1ccc(cc1)[*:1] O=C1CCCC2=C1[C@@H](Nc1ccc3ccccc3c12)[*:1]
CCOC(=O)c1cccc(NC[C@@](C)(O)c2cccs2)n1 CCOC(=O)[*:1] C[C@@](O)(CNc1cccc(n1)[*:1])c1cccs1
CCOC(=O)c1cccc(NC[C@@](C)(O)c2cccs2)n1 c1csc(c1)[*:1] CCOC(=O)c1cccc(n1)NC[C@@](C)(O)[*:1]
Cc1nnc(NNC(=O)CCc2ccccc2Cl)nc1[O-] Clc1ccccc1[*:1] Cc1nnc(nc1[O-])NNC(=O)CC[*:1]
COC(=O)[C@@]1(N)CC[C@H](Sc2ccc(Cl)c(Cl)c2)C1 COC(=O)[*:1] N[C@]1(CC[C@@H](C1)Sc1ccc(Cl)c(Cl)c1)[*:1]
COC(=O)[C@H]1CN(Cc2csc(NC(C)=O)n2)c2ccccc2O1 COC(=O)[*:1] CC(=O)Nc1nc(cs1)CN1C[C@@H](Oc2ccccc21)[*:1]
COC(=O)[C@H]1CN(Cc2csc(NC(C)=O)n2)c2ccccc2O1 CC(=O)N[*:1] COC(=O)[C@H]1CN(Cc2csc(n2)[*:1])c2ccccc2O1
Cc1cc(=O)n(CC(=O)N[C@@H](C)CCc2ccccc2)c(-c2ccc(F)cc2)n1 c1ccc(cc1)C[*:1] Cc1cc(=O)n(CC(=O)N[C@@H](C)C[*:1])c(n1)-c1ccc(F)cc1
Cc1cc(=O)n(CC(=O)N[C@@H](C)CCc2ccccc2)c(-c2ccc(F)cc2)n1 c1ccc(cc1)CC[*:1] Cc1cc(=O)n(CC(=O)N[C@@H](C)[*:1])c(n1)-c1ccc(F)cc1
Cc1cc(=O)n(CC(=O)N[C@@H](C)CCc2ccccc2)c(-c2ccc(F)cc2)n1 c1ccc(cc1)[*:1] Cc1cc(=O)n(CC(=O)N[C@@H](C)CC[*:1])c(n1)-c1ccc(F)cc1
Cc1cc(=O)n(CC(=O)N[C@@H](C)CCc2ccccc2)c(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(=O)n(CC(=O)N[C@@H](C)CCc2ccccc2)c(n1)[*:1]
COCC(=O)N(C)[C@H]1C[C@](C)(OC)C1(C)C COC[*:1] CO[C@@]1(C)C[C@H](N(C)C(=O)[*:1])C1(C)C
CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)NC(=O)C2CCC2)c1 O=C(N[*:1])C1CCC1 CC(=O)N(C)c1cccc(c1)NC(=O)[C@@H](C)[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)NC(=O)C2CCC2)c1 C1CC(C1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)[C@@H](C)NC(=O)[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)NC(=O)C2CCC2)c1 CC(=O)N(C)[*:1] C[C@@H](NC(=O)C1CCC1)C(=O)Nc1cccc(c1)[*:1]
Cc1noc(CN(Cc2ccco2)C2CC2)n1 C1CC1[*:1] Cc1noc(CN(Cc2ccco2)[*:1])n1
Cc1noc(CN(Cc2ccco2)C2CC2)n1 c1coc(c1)[*:1] Cc1noc(CN(C[*:1])C2CC2)n1
CC[C@@H](C)NC(=O)CN1C(=O)CCCc2cc(N)ccc21 CC[C@@H](C)[*:1] Nc1ccc2c(c1)CCCC(=O)N2CC(=O)N[*:1]
CC[C@@H](C)NC(=O)CN1C(=O)CCCc2cc(N)ccc21 CC[C@@H](C)NC(=O)[*:1] Nc1ccc2c(c1)CCCC(=O)N2C[*:1]
COc1ccccc1[C@@H](C)CC(=O)Oc1ccc2nccnc2c1 COc1ccccc1[*:1] C[C@@H](CC(=O)Oc1ccc2nccnc2c1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@H]2CC2(C)C)C1 CC1(C)C[C@@H]1[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)[*:1]
O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(C[C@H]1Cn2ncnc2NC1=O)N[*:1]
COc1cccc2cc([C@H](C)[NH2+]CC(=O)NC(C)C)oc12 CC(C)NC(=O)C[*:1] COc1cccc2cc(oc12)[C@H](C)[NH2+][*:1]
COc1cccc2cc([C@H](C)[NH2+]CC(=O)NC(C)C)oc12 CC(C)NC(=O)[*:1] COc1cccc2cc(oc12)[C@H](C)[NH2+]C[*:1]
COc1cccc2cc([C@H](C)[NH2+]CC(=O)NC(C)C)oc12 CC(C)[*:1] COc1cccc2cc(oc12)[C@H](C)[NH2+]CC(=O)N[*:1]
CC(C)[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)N1CCOCC1 c1csc(c1)C[*:1] CC(C)[C@@H](Sc1nnc(o1)[*:1])C(=O)N1CCOCC1
CC(C)[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)N1CCOCC1 CC(C)[*:1] O=C([C@H](Sc1nnc(Cc2cccs2)o1)[*:1])N1CCOCC1
CC(C)[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)N1CCOCC1 c1csc(c1)[*:1] CC(C)[C@@H](Sc1nnc(C[*:1])o1)C(=O)N1CCOCC1
CC(C)[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@@H](Sc1nnc(Cc2cccs2)o1)[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N1C[C@H]2CCCC[C@H]2C1 C[C@H](O)C[*:1] CC(C)(CNC(=O)N1C[C@H]2CCCC[C@H]2C1)[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N1C[C@H]2CCCC[C@H]2C1 C[C@H](O)[*:1] CC(C)(CNC(=O)N1C[C@H]2CCCC[C@H]2C1)C[*:1]
CCc1ccccc1CNC(=O)N1CCC(c2nc3ccccc3o2)CC1 CCc1ccccc1C[*:1] O=C(N[*:1])N1CCC(CC1)c1nc2ccccc2o1
CCc1ccccc1CNC(=O)N1CCC(c2nc3ccccc3o2)CC1 CCc1ccccc1[*:1] O=C(NC[*:1])N1CCC(CC1)c1nc2ccccc2o1
CCc1ccccc1CNC(=O)N1CCC(c2nc3ccccc3o2)CC1 c1ccc2oc(nc2c1)[*:1] CCc1ccccc1CNC(=O)N1CCC(CC1)[*:1]
COc1ccc2cc(C(=O)NCc3cccc(NC(=O)N4CCCC4)c3)[nH]c2c1 O=C(N[*:1])N1CCCC1 COc1ccc2cc([nH]c2c1)C(=O)NCc1cccc(c1)[*:1]
C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)O[*:1]
Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)[NH+]1CCOCC1 Cn1cccc1[*:1] O=C(NC[C@H]([NH+]1CCOCC1)[*:1])C(=O)Nc1ccc(Cl)cc1
Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)[NH+]1CCOCC1 Clc1ccc(cc1)[*:1] Cn1cccc1[C@H](CNC(=O)C(=O)N[*:1])[NH+]1CCOCC1
CCCn1ncnc1C[C@@H]([NH3+])Cc1ccc(OC)nc1 CCC[*:1] COc1ccc(cn1)C[C@H]([NH3+])Cc1ncnn1[*:1]
OCC[NH+](CCO)[C@H]1CCO[C@]2(CCOC2)C1 OCC[*:1] OCC[NH+]([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
C[C@@H](CCCO)NS(=O)(=O)c1ccccc1Cl OCC[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1ccccc1Cl
C[C@@H](CCCO)NS(=O)(=O)c1ccccc1Cl OCCC[*:1] C[C@@H](NS(=O)(=O)c1ccccc1Cl)[*:1]
O=C(NCC1(Cc2ccccc2)CC1)N1CCOC[C@H]1C1CC1 c1ccc(cc1)C[*:1] O=C(NCC1(CC1)[*:1])N1CCOC[C@H]1C1CC1
O=C(NCC1(Cc2ccccc2)CC1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(NCC1(CC1)Cc1ccccc1)N1CCOC[C@@H]1[*:1]
O=C(NCC1(Cc2ccccc2)CC1)N1CCOC[C@H]1C1CC1 c1ccc(cc1)[*:1] O=C(NCC1(CC1)C[*:1])N1CCOC[C@H]1C1CC1
O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1[*:1]
COc1cc(CN2CCOCC23CCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])CN1CCOCC12CCC2
COc1cc(CN2CCOCC23CCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1cc(ccc1OCc1ccc(cc1)[*:1])CN1CCOCC12CCC2
Fc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)cc1 c1cc2OCOc2c(c1)[*:1] Fc1ccc(cc1)N1CC[NH+](CC1)[C@@H]1CCCN(C1)C[*:1]
Fc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)cc1 Fc1ccc(cc1)[*:1] c1cc(CN2CCC[C@H](C2)[NH+]2CCN(CC2)[*:1])c2OCOc2c1
CCC(CC)N(C)C(=O)NC[C@H](C)Cn1cccn1 c1cnn(c1)C[*:1] CCC(CC)N(C)C(=O)NC[C@H](C)[*:1]
CCC(CC)N(C)C(=O)NC[C@H](C)Cn1cccn1 CCC(CC)[*:1] C[C@@H](CNC(=O)N(C)[*:1])Cn1cccn1
CCC(CC)N(C)C(=O)NC[C@H](C)Cn1cccn1 c1cnn(c1)[*:1] CCC(CC)N(C)C(=O)NC[C@H](C)C[*:1]
Cc1ccc([C@@H](C)n2c(=S)[nH]c3cccnc32)s1 Cc1ccc(s1)[*:1] C[C@@H](n1c(=S)[nH]c2cccnc21)[*:1]
O=C(Nc1ccc(OC(F)F)c(F)c1)C(=O)N1CCC2(CCCCC2)C1 FC(F)[*:1] O=C(Nc1ccc(O[*:1])c(F)c1)C(=O)N1CCC2(CCCCC2)C1
O=C(Nc1ccc(OC(F)F)c(F)c1)C(=O)N1CCC2(CCCCC2)C1 FC(F)O[*:1] O=C(Nc1ccc(c(F)c1)[*:1])C(=O)N1CCC2(CCCCC2)C1
COC(=O)[C@H](C)[C@@H](NC(=O)c1cc(C)no1)c1ccccc1 COC(=O)[C@H](C)[*:1] Cc1cc(on1)C(=O)N[C@@H](c1ccccc1)[*:1]
COC(=O)[C@H](C)[C@@H](NC(=O)c1cc(C)no1)c1ccccc1 COC(=O)[*:1] Cc1cc(on1)C(=O)N[C@@H](c1ccccc1)[C@@H](C)[*:1]
COC(=O)[C@H](C)[C@@H](NC(=O)c1cc(C)no1)c1ccccc1 Cc1cc(on1)[*:1] COC(=O)[C@H](C)[C@@H](NC(=O)[*:1])c1ccccc1
COC(=O)[C@H](C)[C@@H](NC(=O)c1cc(C)no1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)[C@@H](NC(=O)c1cc(C)no1)[*:1]
C[C@H]1CCC[C@H](NC(=O)CSc2nnc(C(C)(C)C)n2N)[C@@H]1C CC(C)(C)[*:1] C[C@H]1CCC[C@H](NC(=O)CSc2nnc(n2N)[*:1])[C@@H]1C
CN(C)C(/[NH+]=c1/nc(N(C)C)ss1)=[N+](C)C CN(C)[*:1] CN(C)C(/[NH+]=c1/nc(ss1)[*:1])=[N+](C)C
COC(=O)C1=C(NNc2ncc(Cl)cc2C(F)(F)F)CSC1 COC(=O)[*:1] FC(F)(F)c1cc(Cl)cnc1NNC1CSCC=1[*:1]
COC(=O)C1=C(NNc2ncc(Cl)cc2C(F)(F)F)CSC1 FC(F)(F)[*:1] COC(=O)C1CSCC=1NNc1ncc(Cl)cc1[*:1]
Nc1nc(-c2ccccc2Cl)nn1C(=O)Cc1ccccc1 Clc1ccccc1[*:1] Nc1nc(nn1C(=O)Cc1ccccc1)[*:1]
Nc1nc(-c2ccccc2Cl)nn1C(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Nc1nc(nn1C(=O)C[*:1])-c1ccccc1Cl
Nc1nc(-c2ccccc2Cl)nn1C(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Nc1nc(nn1C(=O)[*:1])-c1ccccc1Cl
Cc1nsc(NCc2ccncc2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NCc2ccncc2)c1[*:1]
CO[C@]1(C)C[C@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1(C)C C1CC1[*:1] CO[C@]1(C)C[C@H](NC(=O)c2ccc(cc2)NC(=O)[*:1])C1(C)C
CO[C@]1(C)C[C@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1(C)C O=C(N[*:1])C1CC1 CO[C@]1(C)C[C@H](NC(=O)c2ccc(cc2)[*:1])C1(C)C
COc1ccc2ccccc2c1C[NH+]1CCN([C@@H](C)C(N)=O)CC1 C[C@@H](C(N)=O)[*:1] COc1ccc2ccccc2c1C[NH+]1CCN(CC1)[*:1]
COc1ccc2ccccc2c1C[NH+]1CCN([C@@H](C)C(N)=O)CC1 NC(=O)[*:1] COc1ccc2ccccc2c1C[NH+]1CCN(CC1)[C@@H](C)[*:1]
CN1C(=O)COc2ccc(NC(=O)CCOc3ccccc3Cl)cc21 Clc1ccccc1[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)CCO[*:1]
CN1C(=O)COc2ccc(NC(=O)CCOc3ccccc3Cl)cc21 Clc1ccccc1O[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)CC[*:1]
CCC(=O)Oc1ccc2c(c1C)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O CCC(=O)O[*:1] Cc1c(ccc2C(=O)/C(=C/c3cccc(c3)[N+](=O)[O-])Oc21)[*:1]
CCC(=O)Oc1ccc2c(c1C)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O O=[N+]([O-])[*:1] CCC(=O)Oc1ccc2C(=O)/C(=C/c3cccc(c3)[*:1])Oc2c1C
CC(C)c1nccc(CN2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)n1 CC(C)[*:1] O=C(c1cccc2ccccc12)[C@@H]1CCCN(Cc2ccnc(n2)[*:1])C1
CC(C)c1nccc(CN2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)n1 CC(C)c1nccc(n1)[*:1] O=C(c1cccc2ccccc12)[C@@H]1CCCN(C1)C[*:1]
CC(C)[NH2+]C[C@H]1C[C@@H]2C=C[C@H]1C2 CC(C)[*:1] C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+][*:1]
COc1ccc(CNC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(s1)-c1csc2ncn(CC(=O)NC[*:1])c(=O)c12
COc1ccc(CNC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)cc1OC Cc1ccc(s1)[*:1] COc1ccc(cc1OC)CNC(=O)Cn1cnc2scc(c2c1=O)[*:1]
C[NH2+][C@@H]1CCCC[C@@H](c2cccc(OC(C)C)c2)C1 CC(C)[*:1] C[NH2+][C@@H]1CCCC[C@H](C1)c1cccc(c1)O[*:1]
C[NH2+][C@@H]1CCCC[C@@H](c2cccc(OC(C)C)c2)C1 CC(C)O[*:1] C[NH2+][C@@H]1CCCC[C@H](C1)c1cccc(c1)[*:1]
Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\C2CC2)NC1=O C1CC1[*:1] Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=N[*:1])NC1=O
Cc1nc(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc1-c1ccccc1 O=[N+]([O-])c1cnn(c1)[*:1] Cc1nc(NC(=O)C[*:1])sc1-c1ccccc1
Cc1nc(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(NC(=O)Cn2cc(cn2)[N+](=O)[O-])sc1[*:1]
Cc1nc(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc1-c1ccccc1 O=[N+]([O-])[*:1] Cc1nc(NC(=O)Cn2cc(cn2)[*:1])sc1-c1ccccc1
CN(Cc1ccco1)C(=O)[C@H]1C=C(Cn2cnc3ccccc32)N=N1 c1coc(c1)C[*:1] CN(C(=O)[C@H]1C=C(Cn2cnc3ccccc32)N=N1)[*:1]
CN(Cc1ccco1)C(=O)[C@H]1C=C(Cn2cnc3ccccc32)N=N1 c1coc(c1)[*:1] CN(C[*:1])C(=O)[C@H]1C=C(Cn2cnc3ccccc32)N=N1
CC(=O)Nc1ccc(NC(=O)CN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(CN1C(=O)[C@@H](Oc2cccnc21)c1ccccc1)N[*:1]
CC(=O)Nc1ccc(NC(=O)CN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)cc1 CC(=O)N[*:1] O=C(CN1C(=O)[C@@H](Oc2cccnc21)c1ccccc1)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CN1C(=O)[C@H](Oc2cccnc21)[*:1]
C#CCNC(=O)c1ccccc1NC(=O)c1ccn(-c2ccccc2F)n1 Fc1ccccc1[*:1] C#CCNC(=O)c1ccccc1NC(=O)c1ccn(n1)[*:1]
C#CCNC(=O)c1ccccc1NC(=O)c1ccn(-c2ccccc2F)n1 C#CCNC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccn(n1)-c1ccccc1F
C#CCNC(=O)c1ccccc1NC(=O)c1ccn(-c2ccccc2F)n1 C#CC[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1ccn(n1)-c1ccccc1F
O=C(Cc1ccc(F)c(F)c1)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] O=C(Cc1ccc(F)c(F)c1)Nc1cnn(c1)[*:1]
O=C(Cc1ccc(F)c(F)c1)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] O=C(Cc1ccc(F)c(F)c1)Nc1cnn(c1)C[*:1]
O=C(Nc1ccc2[nH]ncc2c1)C(=O)N[C@H](c1ccccc1)C1CCCC1 c1cc2[nH]ncc2cc1[*:1] O=C(N[C@H](c1ccccc1)C1CCCC1)C(=O)N[*:1]
O=C(Nc1ccc2[nH]ncc2c1)C(=O)N[C@H](c1ccccc1)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1ccc2[nH]ncc2c1)C(=O)N[C@H](c1ccccc1)[*:1]
O=C(Nc1ccc2[nH]ncc2c1)C(=O)N[C@H](c1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] O=C(Nc1ccc2[nH]ncc2c1)C(=O)N[C@H](C1CCCC1)[*:1]
O=C(NCC1(c2cccs2)CCCC1)c1ccc(F)c(F)c1 c1csc(c1)[*:1] O=C(NCC1(CCCC1)[*:1])c1ccc(F)c(F)c1
Cc1ocnc1CNS(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 Cc1ocnc1[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)NC[*:1]
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(F)cc4F)[C@H]3SC2)s1 Fc1ccc(c(F)c1)[*:1] Cc1nnc(SCC2CS[C@@H]3[C@@H](NC(=O)[*:1])C(=O)N3C=2C(=O)[O-])s1
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(F)cc4F)[C@H]3SC2)s1 O=C([O-])[*:1] Cc1nnc(SCC2CS[C@@H]3[C@@H](NC(=O)c4ccc(F)cc4F)C(=O)N3C=2[*:1])s1
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(F)cc4F)[C@H]3SC2)s1 Cc1nnc(SC[*:1])s1 O=C([O-])C1=C(CS[C@@H]2[C@@H](NC(=O)c3ccc(F)cc3F)C(=O)N12)[*:1]
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(F)cc4F)[C@H]3SC2)s1 Cc1nnc(s1)[*:1] O=C([O-])C1=C(CS[C@@H]2[C@@H](NC(=O)c3ccc(F)cc3F)C(=O)N12)CS[*:1]
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(F)cc4F)[C@H]3SC2)s1 Cc1nnc(S[*:1])s1 O=C([O-])C1=C(CS[C@@H]2[C@@H](NC(=O)c3ccc(F)cc3F)C(=O)N12)C[*:1]
O=C(CCSc1ccccn1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(nc1)SC[*:1] O=C(C[*:1])NC1CC[NH+](CC1)Cc1ccccc1
O=C(CCSc1ccccn1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(nc1)S[*:1] O=C(CC[*:1])NC1CC[NH+](CC1)Cc1ccccc1
O=C(CCSc1ccccn1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CCSc1ccccn1)NC1CC[NH+](CC1)[*:1]
O=C(CCSc1ccccn1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCSc1ccccn1)NC1CC[NH+](CC1)C[*:1]
O=C(CCSc1ccccn1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(nc1)[*:1] O=C(CCS[*:1])NC1CC[NH+](CC1)Cc1ccccc1
COc1ccc(Nc2ncnc3c2cnn3-c2ccccc2C)c(OC)c1 Cc1ccccc1[*:1] COc1ccc(Nc2ncnc3c2cnn3[*:1])c(c1)OC
O=[N+]([O-])c1cccc(C2=NS(=O)(=O)c3ccccc3[N-]2)c1 O=[N+]([O-])[*:1] O=S1(=O)N=C([N-]c2ccccc21)c1cccc(c1)[*:1]
COc1ccc(C(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(C(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 CC(C)C[*:1] COc1ccc(cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COc1cc(C(=O)N2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)cc(OC)c1OC c1csc(c1)-c1cc([nH]n1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1cc(C(=O)N2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)cc(OC)c1OC c1csc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)C(=O)c1cc(n[nH]1)[*:1]
O[C@@H](CN1CCc2sccc2C1)c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](CN1CCc2sccc2C1)[*:1]
CCC(CC)[C@@H](C)[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 CCC(CC)[*:1] C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
O=[N+]([O-])/C(=C/c1ccccc1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] O=[N+]([O-])/C(=C/c1ccccc1[*:1])c1ccccc1
O=[N+]([O-])/C(=C/c1ccccc1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccccc1C=C(c1ccccc1)[*:1]
O=[N+]([O-])/C(=C/c1ccccc1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])/C(=C/c1ccccc1[N+](=O)[O-])[*:1]
Cc1cc(=O)n2c3c(cc(S(=O)(=O)N(C)c4ccccc4)cc13)CCC2 c1ccc(cc1)[*:1] Cc1cc(=O)n2CCCc3cc(cc1c32)S(=O)(=O)N(C)[*:1]
COCCN(Cc1ccccc1)C(=O)NCc1ccc(C)cc1C COC[*:1] Cc1ccc(CNC(=O)N(Cc2ccccc2)C[*:1])c(C)c1
COCCN(Cc1ccccc1)C(=O)NCc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] COCCN(Cc1ccccc1)C(=O)NC[*:1]
COCCN(Cc1ccccc1)C(=O)NCc1ccc(C)cc1C c1ccc(cc1)C[*:1] COCCN(C(=O)NCc1ccc(C)cc1C)[*:1]
COCCN(Cc1ccccc1)C(=O)NCc1ccc(C)cc1C c1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)NCc1ccc(C)cc1C
COCCN(Cc1ccccc1)C(=O)NCc1ccc(C)cc1C COCC[*:1] Cc1ccc(CNC(=O)N(Cc2ccccc2)[*:1])c(C)c1
NC(=S)c1ccc(OCC(=O)NCC2CCC2)cc1 C1CC(C1)[*:1] NC(=S)c1ccc(cc1)OCC(=O)NC[*:1]
NC(=S)c1ccc(OCC(=O)NCC2CCC2)cc1 C1CC(C1)C[*:1] NC(=S)c1ccc(cc1)OCC(=O)N[*:1]
NC(=S)c1ccc(OCC(=O)NCC2CCC2)cc1 NC(=S)[*:1] O=C(COc1ccc(cc1)[*:1])NCC1CCC1
Cc1cc([C@@H](C)NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(C)o1 Cc1cc(c(C)o1)[C@@H](C)[*:1] O=C(N[*:1])N1CCN(CC1)Cc1cn2ccccc2[nH+]1
Cc1cc([C@@H](C)NC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)Cc1cn2ccccc2[nH+]1)[*:1]
O=C(Cc1cccs1)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 c1csc(c1)C[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2c(=O)o1)[*:1]
O=C(Cc1cccs1)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 c1csc(c1)[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1nc2ccccc2c(=O)o1
Cc1ccc(C(=O)COc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)cc2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccc(cc1)OC[*:1]
Cc1ccc(C(=O)COc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)cc2)cc1 Cc1ccc(cc1)[*:1] O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccc(cc1)OCC(=O)[*:1]
COCCN1CCN(C(=O)NCc2nc(-c3ccccc3)cs2)CC1=O COCC[*:1] O=C(NCc1nc(cs1)-c1ccccc1)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)NCc2nc(-c3ccccc3)cs2)CC1=O c1ccc(cc1)[*:1] COCCN1CCN(CC1=O)C(=O)NCc1nc(cs1)[*:1]
COCCN1CCN(C(=O)NCc2nc(-c3ccccc3)cs2)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)NCc1nc(cs1)-c1ccccc1
Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(CC1)[*:1]
Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(OCc2ccccc2F)CC1 Cc1ccccc1[*:1] O=C([C@@H]1C[C@@H]1[*:1])N1CCC(CC1)OCc1ccccc1F
Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(CC1)O[*:1]
Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(CC1)OC[*:1]
CON(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 CON(C)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)C[*:1]
CON(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 CON(C)C[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)[*:1]
CON(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] CON(C)Cc1coc(n1)-c1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)[C@]1(C)CCC(=O)N1Cc1ccccc1OC CC[C@@H](C)[*:1] COc1ccccc1CN1C(=O)CC[C@@]1(C)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@]1(C)CCC(=O)N1Cc1ccccc1OC CC[C@@H](C)NC(=O)[*:1] COc1ccccc1CN1C(=O)CC[C@]1(C)[*:1]
Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H]2C[C@H]2C2CC2)C3)cs1 C1CC1[*:1] Cc1nc(cs1)-c1cc2CN(CCc2s1)C(=O)[C@H]1C[C@@H]1[*:1]
Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H]2C[C@H]2C2CC2)C3)cs1 Cc1nc(cs1)[*:1] O=C([C@H]1C[C@H]1C1CC1)N1CCc2sc(cc2C1)[*:1]
Cc1ccc(N2/C(=N/C(=O)Cc3ccccc3Cl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F Clc1ccccc1[*:1] Cc1ccc(cc1F)N1/C(=N/C(=O)C[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
Cc1ccc(N2/C(=N/C(=O)Cc3ccccc3Cl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F Cc1ccc(cc1F)[*:1] O=C(Cc1ccccc1Cl)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1ccc(N2/C(=N/C(=O)Cc3ccccc3Cl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F Clc1ccccc1C[*:1] Cc1ccc(cc1F)N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
CC1(C)CN(C(=O)c2csc(-c3cccs3)n2)CCS1 c1csc(c1)[*:1] CC1(C)CN(CCS1)C(=O)c1csc(n1)[*:1]
O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1cc[nH]n1 c1cc(n[nH]1)[*:1] O=C([C@@H]1CC=CCC1)N1CCC[C@H]1[*:1]
CCc1ccc([C@@H](C)C(=O)NNc2cccnc2Cl)cc1 Clc1ncccc1[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)NN[*:1]
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1CC[C@H](C)[C@H](O)C1 Clc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1C(=O)N1CC[C@H](C)[C@H](O)C1
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1CC[C@H](C)[C@H](O)C1 Clc1ccc(cc1)C[*:1] Cc1nn(c(C)c1C(=O)N1CC[C@H](C)[C@H](O)C1)[*:1]
CCNC(=O)CCCC(=O)NNC(=O)c1ccc(C)o1 CCNC(=O)[*:1] Cc1ccc(o1)C(=O)NNC(=O)CCC[*:1]
CCNC(=O)CCCC(=O)NNC(=O)c1ccc(C)o1 Cc1ccc(o1)[*:1] CCNC(=O)CCCC(=O)NNC(=O)[*:1]
CCNC(=O)CCCC(=O)NNC(=O)c1ccc(C)o1 CCNC(=O)C[*:1] Cc1ccc(o1)C(=O)NNC(=O)CC[*:1]
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 CN(C)S(=O)(=O)[*:1] O=S(=O)([N-]c1ccc(cc1)OC(F)(F)F)c1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 FC(F)(F)O[*:1] CN(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 FC(F)(F)[*:1] CN(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)[N-]c1ccc(cc1)O[*:1]
Cn1nc([N+](=O)[O-])nc1-n1cnc(Cl)n1 O=[N+]([O-])[*:1] Cn1nc(nc1-n1cnc(Cl)n1)[*:1]
Cc1ccc(OCCSc2nc3ccccc3n2C)cc1 Cc1ccc(cc1)[*:1] Cn1c(nc2ccccc21)SCCO[*:1]
CC(=O)[C@@H](C)C[C@@H](O)COCc1ccccc1 CC(=O)[C@@H](C)[*:1] O[C@@H](COCc1ccccc1)C[*:1]
CC(=O)[C@@H](C)C[C@@H](O)COCc1ccccc1 CC(=O)[*:1] C[C@@H](C[C@@H](O)COCc1ccccc1)[*:1]
Cc1ccc(C)c(NCN2C(=O)S/C(=C\c3ccc(C)o3)C2=O)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(/C=C2\SC(=O)N(CN[*:1])C2=O)o1
Cc1ccc(C)c(NCN2C(=O)S/C(=C\c3ccc(C)o3)C2=O)c1 Cc1ccc(o1)[*:1] Cc1ccc(C)c(c1)NCN1C(=O)SC(=C[*:1])C1=O
O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1cccs1 c1csc(c1)[*:1] O=C(Nc1ccc(Cl)c(c1)N1CCCS1(=O)=O)[*:1]
O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1cccs1 O=S1(=O)CCCN1[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1cccs1
O=C(Oc1ccccc1C(F)(F)F)[C@H]1CC(c2ccc(Cl)s2)=NO1 Clc1ccc(s1)[*:1] O=C(Oc1ccccc1C(F)(F)F)[C@H]1CC(=NO1)[*:1]
O=C(Oc1ccccc1C(F)(F)F)[C@H]1CC(c2ccc(Cl)s2)=NO1 FC(F)(F)[*:1] O=C(Oc1ccccc1[*:1])[C@H]1CC(=NO1)c1ccc(Cl)s1
CN(C[C@H]1CCC[C@@H]1O)C(=O)NCCc1nc(C2CC2)cs1 C1CC1[*:1] CN(C[C@H]1CCC[C@@H]1O)C(=O)NCCc1nc(cs1)[*:1]
Cc1cnc2c(c1)nc(N)n2[C@H](C)CN1CCOCC1 C1CN(CCO1)[*:1] Cc1cnc2c(c1)nc(N)n2[C@H](C)C[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2cccc(OC)n2)CC1 CCOC(=O)[*:1] COc1cccc(n1)C(=O)N1CCC(C)(CC1)[*:1]
Cc1nnc(COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)o1 Cc1nnc(o1)[*:1] O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OC[*:1]
Cc1nnc(COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)o1 Cc1nnc(C[*:1])o1 O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)O[*:1]
CCO[C@@H](C)C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 CCO[C@@H](C)[*:1] C[C@H](NC(=O)[*:1])c1cc2OCCOc2cc1Br
CCO[C@@H](C)C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 CCO[*:1] C[C@H](NC(=O)[C@H](C)[*:1])c1cc2OCCOc2cc1Br
COc1cc(OC)nc(C2CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)n1 COc1cc(nc(n1)[*:1])OC O=C(CCC(=O)N1CCN(CC1)c1cccc[nH+]1)N1CCC(CC1)[*:1]
CCn1nc(C)c(CN2CCC[C@H](C(=O)OC)C2)c1C COC(=O)[*:1] CCn1nc(C)c(CN2CCC[C@H](C2)[*:1])c1C
C=CCNC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)c(C)c1 C=CC[*:1] Cc1ccc(cc1C)N1C(=O)[C@@H](Cc2ccccc2Cl)S/C1=C(\C#N)C(=O)N[*:1]
C=CCNC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] C=CCNC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1[*:1]
C=CCNC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)c(C)c1 Clc1ccccc1[*:1] C=CCNC(=O)/C(C#N)=C1/S[C@H](C[*:1])C(=O)N1c1ccc(C)c(C)c1
C=CCNC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)c(C)c1 Clc1ccccc1C[*:1] C=CCNC(=O)/C(C#N)=C1/S[C@H](C(=O)N1c1ccc(C)c(C)c1)[*:1]
C=CCNC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)c(C)c1 C=CCNC(=O)[*:1] Cc1ccc(cc1C)N1C(=O)[C@@H](Cc2ccccc2Cl)SC1=C(C#N)[*:1]
COc1ccccc1NCC(=O)Nc1ccc(C(=O)N(C)C)cc1 COc1ccccc1[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)CN[*:1]
COc1ccccc1NCC(=O)Nc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] COc1ccccc1NCC(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 CC[C@H](C)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 CC[C@H](C)NC(=O)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 CC(=O)[*:1] CC[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CCc1cnc(NC(=O)c2cc(C3CC3)[nH]n2)s1 C1CC1[*:1] CCc1cnc(NC(=O)c2cc([nH]n2)[*:1])s1
COc1ccccc1OCCC(=O)Nc1ccc2nc(SC)sc2c1 COc1ccccc1[*:1] CSc1nc2ccc(cc2s1)NC(=O)CCO[*:1]
CC[NH2+][C@@H](C=C(C)C)C1([NH+](CC)CC)CCCC1 CC(C)=C[*:1] CC[NH2+][C@@H](C1(CCCC1)[NH+](CC)CC)[*:1]
CCOc1ccc(CNC(=O)N[C@@H](CC)c2ccncc2)cc1C c1cc(ccn1)[*:1] CCOc1ccc(cc1C)CNC(=O)N[C@@H](CC)[*:1]
CCOc1ccc(CNC(=O)N[C@@H](CC)c2ccncc2)cc1C CCO[*:1] CC[C@H](NC(=O)NCc1ccc(c(C)c1)[*:1])c1ccncc1
COCc1cccc(CNC(=O)c2csc(Br)c2)c1 Brc1cc(cs1)[*:1] COCc1cccc(c1)CNC(=O)[*:1]
COCc1cccc(CNC(=O)c2csc(Br)c2)c1 COC[*:1] O=C(NCc1cccc(c1)[*:1])c1csc(Br)c1
CCCOc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 Fc1ccc(cc1)C[*:1] CCCOc1ccc(cc1)C(=O)N(c1ccccn1)[*:1]
CCCOc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 CCC[*:1] O=C(c1ccc(cc1)O[*:1])N(Cc1ccc(F)cc1)c1ccccn1
CCCOc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 CCCO[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccc(F)cc1)c1ccccn1
CCCOc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 Fc1ccc(cc1)[*:1] CCCOc1ccc(cc1)C(=O)N(C[*:1])c1ccccn1
CCCOc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 c1ccc(nc1)[*:1] CCCOc1ccc(cc1)C(=O)N(Cc1ccc(F)cc1)[*:1]
O=C(N/N=C/c1c(F)cccc1Cl)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(N/N=C/c1c(F)cccc1Cl)C(=O)N[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 CC(C)[*:1] O=C(CSc1ccccc1C(=O)Nc1nc(cs1)-c1ccc(Cl)s1)N[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 Clc1ccc(s1)[*:1] CC(C)NC(=O)CSc1ccccc1C(=O)Nc1nc(cs1)[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 CC(C)NC(=O)[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)s1)c1ccccc1SC[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 CC(C)NC(=O)CS[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)s1)c1ccccc1[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 CC(C)NC(=O)C[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)s1)c1ccccc1S[*:1]
Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H](C)O)CC2)c1 C[C@@H](O)[*:1] Cc1ccc(c(c1)N1CCC(CC1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H](C)O)CC2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N1CCC(CC1)[C@@H](C)O)[*:1]
Cc1ccc(CN2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2cccc(F)c2)cc1 Cc1ccc(cc1)C[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1[*:1]
Cc1ccc(CN2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1[*:1]
Cc1ccc(CN2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2cccc(F)c2)cc1 Cc1ccc(cc1)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1C[*:1]
Cc1ccc(CN2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2cccc(F)c2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)c2[nH]nc(c2[C@H]1c1cccc(F)c1)[*:1]
Cc1cc(CCCCCC[NH3+])ccc1F [NH3+]CCC[*:1] Cc1cc(ccc1F)CCC[*:1]
Cc1cc(CCCCCC[NH3+])ccc1F [NH3+]CCCC[*:1] Cc1cc(ccc1F)CC[*:1]
Cc1cc(CCCCCC[NH3+])ccc1F [NH3+]CC[*:1] Cc1cc(ccc1F)CCCC[*:1]
CC/[NH+]=C(/NC[C@H]1CCO[C@@H]1C(C)(C)C)NC(C)(C)C CC(C)(C)[*:1] CC/[NH+]=C(/NC[C@H]1CCO[C@@H]1C(C)(C)C)N[*:1]
CC/[NH+]=C(/NC[C@H]1CCO[C@@H]1C(C)(C)C)NC(C)(C)C CC(C)(C)[*:1] CC/[NH+]=C(/NC[C@H]1CCO[C@H]1[*:1])NC(C)(C)C
CCCC(=O)Nc1cccc(C(=O)Nc2cccc(C)n2)c1 CCCC(=O)N[*:1] Cc1cccc(n1)NC(=O)c1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(C(=O)Nc2cccc(C)n2)c1 CCC[*:1] Cc1cccc(n1)NC(=O)c1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(C(=O)Nc2cccc(C)n2)c1 Cc1cccc(n1)[*:1] CCCC(=O)Nc1cccc(c1)C(=O)N[*:1]
CO[C@H](CNC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](CNC(=O)Nc1nnc(s1)C(C)(C)C)[*:1]
CO[C@H](CNC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1 CC(C)(C)[*:1] CO[C@H](CNC(=O)Nc1nnc(s1)[*:1])c1ccccc1
Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)CCc3c(C)noc3C)CCNC2=O)cc1 Cc1noc(C)c1C[*:1] Cc1ccc(cc1)-c1ccccc1C[C@H]1CN(CCNC1=O)C(=O)C[*:1]
Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)CCc3c(C)noc3C)CCNC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1noc(C)c1CCC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2[*:1])C1
Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)CCc3c(C)noc3C)CCNC2=O)cc1 Cc1noc(C)c1CC[*:1] Cc1ccc(cc1)-c1ccccc1C[C@H]1CN(CCNC1=O)C(=O)[*:1]
Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)CCc3c(C)noc3C)CCNC2=O)cc1 Cc1noc(C)c1[*:1] Cc1ccc(cc1)-c1ccccc1C[C@H]1CN(CCNC1=O)C(=O)CC[*:1]
COc1ccccc1OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] COc1ccccc1OCC(=O)N1CCc2ccc(cc21)[*:1]
COc1ccccc1OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 COc1ccccc1[*:1] O=C(CO[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
C=C(C)COc1cccc(C(=O)NCCOC)c1 C=C(C)[*:1] COCCNC(=O)c1cccc(c1)OC[*:1]
C=C(C)COc1cccc(C(=O)NCCOC)c1 C=C(C)C[*:1] COCCNC(=O)c1cccc(c1)O[*:1]
C=C(C)COc1cccc(C(=O)NCCOC)c1 C=C(C)CO[*:1] COCCNC(=O)c1cccc(c1)[*:1]
C=C(C)COc1cccc(C(=O)NCCOC)c1 COCC[*:1] C=C(C)COc1cccc(c1)C(=O)N[*:1]
C=C(C)COc1cccc(C(=O)NCCOC)c1 COC[*:1] C=C(C)COc1cccc(c1)C(=O)NC[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)NCc2cnn(C)c2)CC1 Cn1cc(cn1)C[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)NCc2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NC[*:1]
COc1ncccc1COC1CC([NH3+])C1 [NH3+]C1CC(C1)[*:1] COc1ncccc1CO[*:1]
O=C(C1=C([O-])C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 Clc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccncc2)[C@@H]1[*:1])c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(Cl)cc2)N1Cc1ccncc1
O=C(C1=C([O-])C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 c1cc(ccn1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(Cl)cc1)c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(Cc2ccncc2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 c1cc(ccn1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(Cl)cc1)[*:1])c1ccc2OCCOc2c1
CCOc1cccc2s/c(=N\C(=O)c3ccc([N+](=O)[O-])s3)n(CC(=O)OC)c12 O=[N+]([O-])c1ccc(s1)[*:1] CCOc1cccc2s/c(=N\C(=O)[*:1])n(CC(=O)OC)c12
CCOc1cccc2s/c(=N\C(=O)c3ccc([N+](=O)[O-])s3)n(CC(=O)OC)c12 COC(=O)[*:1] CCOc1cccc2s/c(=N\C(=O)c3ccc(s3)[N+](=O)[O-])n(C[*:1])c12
CCOc1cccc2s/c(=N\C(=O)c3ccc([N+](=O)[O-])s3)n(CC(=O)OC)c12 COC(=O)C[*:1] CCOc1cccc2s/c(=N\C(=O)c3ccc(s3)[N+](=O)[O-])n(c12)[*:1]
CCOc1cccc2s/c(=N\C(=O)c3ccc([N+](=O)[O-])s3)n(CC(=O)OC)c12 CCO[*:1] COC(=O)Cn1/c(=N/C(=O)c2ccc(s2)[N+](=O)[O-])sc2cccc(c21)[*:1]
CCOc1cccc2s/c(=N\C(=O)c3ccc([N+](=O)[O-])s3)n(CC(=O)OC)c12 O=[N+]([O-])[*:1] CCOc1cccc2s/c(=N\C(=O)c3ccc(s3)[*:1])n(CC(=O)OC)c12
CCN(c1ccccc1C)S(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 Cc1ccccc1[*:1] CCN(S(=O)(=O)c1cc2CCCN3C(=O)Cc(c1)c23)[*:1]
CN(Cc1nccs1)Cn1nc(C2CC2)n(C)c1=S c1csc(n1)[*:1] CN(Cn1nc(C2CC2)n(C)c1=S)C[*:1]
CN(Cc1nccs1)Cn1nc(C2CC2)n(C)c1=S c1csc(C[*:1])n1 CN(Cn1nc(C2CC2)n(C)c1=S)[*:1]
CN(Cc1nccs1)Cn1nc(C2CC2)n(C)c1=S C1CC1[*:1] CN(Cc1nccs1)Cn1nc(n(C)c1=S)[*:1]
O=C(C[C@@]1(O)C(=O)N(C[NH+]2CCOCC2)c2ccccc21)c1ccc(Cl)s1 O=C(c1ccc(Cl)s1)[*:1] O=C1N(C[NH+]2CCOCC2)c2ccccc2[C@@]1(O)C[*:1]
O=C(C[C@@]1(O)C(=O)N(C[NH+]2CCOCC2)c2ccccc21)c1ccc(Cl)s1 O=C(C[*:1])c1ccc(Cl)s1 O=C1N(C[NH+]2CCOCC2)c2ccccc2[C@]1(O)[*:1]
O=C(C[C@@]1(O)C(=O)N(C[NH+]2CCOCC2)c2ccccc21)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C1N(C[NH+]2CCOCC2)c2ccccc2[C@@]1(O)CC(=O)[*:1]
Cc1c(C(=O)N(C)CCC2CCCCC2)nnn1-c1cccc2cccnc12 C1CCC(CC1)C[*:1] Cc1c(nnn1-c1cccc2cccnc12)C(=O)N(C)C[*:1]
Cc1c(C(=O)N(C)CCC2CCCCC2)nnn1-c1cccc2cccnc12 C1CCC(CC1)[*:1] Cc1c(nnn1-c1cccc2cccnc12)C(=O)N(C)CC[*:1]
Cc1c(C(=O)N(C)CCC2CCCCC2)nnn1-c1cccc2cccnc12 C1CCC(CC1)CC[*:1] Cc1c(nnn1-c1cccc2cccnc12)C(=O)N(C)[*:1]
COC[C@](C)(NC(=O)c1cc(C)c(C)s1)c1ccccc1 COC[*:1] Cc1cc(sc1C)C(=O)N[C@@](C)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)c1cc(C)c(C)s1)c1ccccc1 Cc1cc(sc1C)[*:1] COC[C@](C)(NC(=O)[*:1])c1ccccc1
COC[C@](C)(NC(=O)c1cc(C)c(C)s1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)c1cc(C)c(C)s1)[*:1]
CC(=O)Nc1cccc(COC(=O)c2csc(Cc3ccc(C)cc3)n2)c1 Cc1ccc(cc1)C[*:1] CC(=O)Nc1cccc(c1)COC(=O)c1csc(n1)[*:1]
CC(=O)Nc1cccc(COC(=O)c2csc(Cc3ccc(C)cc3)n2)c1 Cc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)COC(=O)c1csc(C[*:1])n1
CC(=O)Nc1cccc(COC(=O)c2csc(Cc3ccc(C)cc3)n2)c1 CC(=O)N[*:1] Cc1ccc(cc1)Cc1nc(cs1)C(=O)OCc1cccc(c1)[*:1]
Cn1c(CNc2ccc(F)cc2[N+](=O)[O-])nc2ccccc21 O=[N+]([O-])[*:1] Cn1c(CNc2ccc(F)cc2[*:1])nc2ccccc21
CC[C@@H]1CC(=O)N(CC[C@H](C)CCS)C1 C[C@H](CCS)[*:1] CC[C@@H]1CC(=O)N(CC[*:1])C1
CC[C@@H]1CC(=O)N(CC[C@H](C)CCS)C1 SCC[*:1] CC[C@@H]1CC(=O)N(CC[C@H](C)[*:1])C1
Cc1ccccc1CSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2C(=O)Nc1ccc(F)cc1 Cc1ccccc1C[*:1] O=C1C[C@H](C(=O)Nc2ccc(F)cc2)[C@@H]2C(=O)N=C(N=C2N1)S[*:1]
Cc1ccccc1CSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccccc1CSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2C(=O)N[*:1]
Cc1ccccc1CSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2C(=O)Nc1ccc(F)cc1 Cc1ccccc1[*:1] O=C1C[C@H](C(=O)Nc2ccc(F)cc2)[C@@H]2C(=O)N=C(N=C2N1)SC[*:1]
Cc1ccccc1CSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2C(=O)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccccc1CSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@H]2[*:1]
CC(C)[NH2+]C[C@]1(c2ccccc2Br)CC[C@@H]1C CC(C)[*:1] C[C@H]1CC[C@]1(C[NH2+][*:1])c1ccccc1Br
CC(=O)CCCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(=O)CCCOC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(=O)CCCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(=O)[*:1] O=C(OCCC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CC(=O)CCCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(=O)CCC[*:1] O=C(O[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CC(=O)CCCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(=O)C[*:1] O=C(OCC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CC(=O)CCCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(=O)CC[*:1] O=C(OC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CC(C)(CNC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccncc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)C[C@H](C(F)(F)F)[*:1])c1ccncc1
CC(C)(CNC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)C[C@H](c1ccccc1)C(F)(F)F)[*:1]
CC(C)(CNC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccncc1 FC(F)(F)[*:1] CC(C)(CNC(=O)C[C@H](c1ccccc1)[*:1])c1ccncc1
COCc1cc(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)ncn1 COC[*:1] C[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)Nc1cc(ncn1)[*:1]
COCc1cc(NC(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)ncn1 c1ccc(cc1)[*:1] COCc1cc(ncn1)NC(=O)N1CC[C@@H]([C@@H](C)C1)[*:1]
CCCNC(=O)[C@H](C)Oc1c(F)cc(C(=O)[O-])cc1F O=C([O-])[*:1] CCCNC(=O)[C@H](C)Oc1c(F)cc(cc1F)[*:1]
CCCNC(=O)[C@H](C)Oc1c(F)cc(C(=O)[O-])cc1F CCCNC(=O)[*:1] C[C@H](Oc1c(F)cc(cc1F)C(=O)[O-])[*:1]
CCCNC(=O)[C@H](C)Oc1c(F)cc(C(=O)[O-])cc1F CCC[*:1] C[C@H](Oc1c(F)cc(cc1F)C(=O)[O-])C(=O)N[*:1]
C=CCCCN(C)C(=O)Nc1cccc(F)c1I C=CC[*:1] CN(CC[*:1])C(=O)Nc1cccc(F)c1I
C=CCCCN(C)C(=O)Nc1cccc(F)c1I C=CCCC[*:1] CN(C(=O)Nc1cccc(F)c1I)[*:1]
C=CCCCN(C)C(=O)Nc1cccc(F)c1I C=CCC[*:1] CN(C[*:1])C(=O)Nc1cccc(F)c1I
C[C@H](OC(=O)c1cccc2cc[nH]c12)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](OC(=O)c1cccc2cc[nH]c12)[*:1]
C[C@@H](O)C(=O)N1CCN(CC(C)(C)S(C)(=O)=O)CC1 CS(=O)(=O)[*:1] C[C@@H](O)C(=O)N1CCN(CC1)CC(C)(C)[*:1]
C[C@@H](O)C(=O)N1CCN(CC(C)(C)S(C)(=O)=O)CC1 C[C@@H](O)[*:1] CC(C)(CN1CCN(CC1)C(=O)[*:1])S(C)(=O)=O
CCOC(=O)C(C(=O)OCC)C(C)(C)C CC(C)(C)[*:1] CCOC(=O)C(C(=O)OCC)[*:1]
CCOC(=O)C(C(=O)OCC)C(C)(C)C CCOC(=O)[*:1] CCOC(=O)C(C(C)(C)C)[*:1]
COCC(=O)N1CCC[C@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C1 COC[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N1CC(C1)Oc1ccccc1Cl
COCC(=O)N1CCC[C@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C1 Clc1ccccc1O[*:1] COCC(=O)N1CCC[C@@H](C1)C(=O)N1CC(C1)[*:1]
COCC(=O)N1CCC[C@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C1 Clc1ccccc1[*:1] COCC(=O)N1CCC[C@@H](C1)C(=O)N1CC(C1)O[*:1]
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCOCC1)C2=O C1CN(CCO1)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1[*:1])C2=O
COc1ccccc1NCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C COc1ccccc1[*:1] CC1=NN(CCN[*:1])c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C
COc1ccccc1NCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C COc1ccccc1N[*:1] CC1=NN(CC[*:1])c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C
COc1ccccc1NCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C COc1ccccc1NC[*:1] CC1=NN(C[*:1])c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C
CCn1c(C2CC[NH2+]CC2)nn(Cc2noc(C3CC3)n2)c1=O C1CC1[*:1] CCn1c(nn(Cc2noc(n2)[*:1])c1=O)C1CC[NH2+]CC1
Cn1cc[nH+]c1CN1CCN(C(=O)c2scnc2C2CC2)CC1 C1CC1[*:1] Cn1cc[nH+]c1CN1CCN(CC1)C(=O)c1scnc1[*:1]
N[C@@H](C[NH+](CCO)CCO)C(=O)[O-] OCC[*:1] N[C@@H](C[NH+](CCO)[*:1])C(=O)[O-]
N[C@@H](C[NH+](CCO)CCO)C(=O)[O-] O=C([O-])[*:1] N[C@@H](C[NH+](CCO)CCO)[*:1]
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc(Br)o1 CS(=O)(=O)[*:1] Cc1cc(ccc1NC(=O)c1ccc(Br)o1)[*:1]
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] Cc1cc(ccc1NC(=O)[*:1])S(C)(=O)=O
COC(=O)c1ccc(/C=N/O[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(/C=N/O[C@@H]2CCCN(C[*:1])C2=O)cc1
COC(=O)c1ccc(/C=N/O[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(/C=N/O[C@@H]2CCCN(C2=O)[*:1])cc1
COC(=O)c1ccc(/C=N/O[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 COC(=O)[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)O/N=C/c1ccc(cc1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)OCC2=NC(=O)C3=C4CC[C@@H](C)C[C@H]4SC3=N2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)OCC2=NC(=O)C3C(=N2)S[C@@H]2C[C@H](C)CCC=32)c(C)c1[*:1]
CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCc1ccc(Cl)cc1 CCO[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3cccc(c3OCc3ccc(Cl)cc3)[*:1])c2c(=O)[nH]1
CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOc1cccc(c1OC[*:1])[C@@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21
CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCc1ccc(Cl)cc1 Clc1ccc(cc1)CO[*:1] CCOc1cccc(c1[*:1])[C@@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21
CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CCOc1cccc(c1O[*:1])[C@@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21
C[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)N[C@H](C)c3ccccc3)cc2NC1=O C[C@H](c1ccccc1)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)CCC(=O)N[*:1]
C[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)N[C@H](C)c3ccccc3)cc2NC1=O c1ccc(cc1)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)CCC(=O)N[C@H](C)[*:1]
COC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)CCC1CC1 COC(=O)[*:1] O=S(=O)(CCC1CC1)N[C@H]1CCC[C@@H]1[*:1]
COC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)CCC1CC1 C1CC1C[*:1] COC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)C[*:1]
COC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)CCC1CC1 C1CC1CC[*:1] COC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)[*:1]
COC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)CCC1CC1 C1CC1[*:1] COC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)CC[*:1]
Cc1cccnc1C[C@H]([NH3+])CC(C)(C)C CC(C)(C)C[*:1] Cc1cccnc1C[C@H]([NH3+])[*:1]
Cc1cccnc1C[C@H]([NH3+])CC(C)(C)C CC(C)(C)[*:1] Cc1cccnc1C[C@H]([NH3+])C[*:1]
O[C@@H](C[NH2+]C1CCCC1)COc1ccc(F)cc1 C1CCC(C1)[*:1] O[C@@H](C[NH2+][*:1])COc1ccc(F)cc1
O=C([O-])c1cc2nn[nH]n2n1 O=C([O-])[*:1] c1c(nn2[nH]nnc12)[*:1]
O=C(NCCc1ccco1)c1cn(C2C[NH2+]C2)nn1 c1coc(c1)C[*:1] O=C(NC[*:1])c1cn(nn1)C1C[NH2+]C1
O=C(NCCc1ccco1)c1cn(C2C[NH2+]C2)nn1 c1coc(c1)[*:1] O=C(NCC[*:1])c1cn(nn1)C1C[NH2+]C1
O=C(CC[NH+]1CCCC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(CC[NH+]1CCCC1)N1N=C(C[C@H]1[*:1])c1ccc(Cl)cc1
O=C(CC[NH+]1CCCC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 Clc1ccc(cc1)[*:1] O=C(CC[NH+]1CCCC1)N1N=C(C[C@@H]1c1ccco1)[*:1]
Cc1ccc(C)c(OC[C@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 Cc1ccc(C)c(c1)[*:1] O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@@H](O)CO[*:1]
CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 CC(C)[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1O[*:1]
CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 CC(C)O[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1[*:1]
Cc1cc(C)c(S(=O)(=O)N(CCc2cccs2)Cc2ccco2)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC[*:1])Cc1ccco1
Cc1cc(C)c(S(=O)(=O)N(CCc2cccs2)Cc2ccco2)c(C)c1 c1coc(c1)C[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CCc1cccs1)[*:1]
Cc1cc(C)c(S(=O)(=O)N(CCc2cccs2)Cc2ccco2)c(C)c1 c1coc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CCc1cccs1)C[*:1]
Cc1cc(C)c(S(=O)(=O)N(CCc2cccs2)Cc2ccco2)c(C)c1 c1csc(c1)C[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(Cc1ccco1)C[*:1]
Cc1cc(C)c(S(=O)(=O)N(CCc2cccs2)Cc2ccco2)c(C)c1 c1csc(c1)CC[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(Cc1ccco1)[*:1]
Cc1ccc2ncc(CN3CCN(C(=O)[C@H](C)O)CC3)n2c1 C[C@H](O)[*:1] Cc1ccc2ncc(CN3CCN(CC3)C(=O)[*:1])n2c1
O=C(CNC1(c2nccs2)CCCC1)Nc1nncs1 c1nnc(s1)[*:1] O=C(CNC1(CCCC1)c1nccs1)N[*:1]
O=C(CNC1(c2nccs2)CCCC1)Nc1nncs1 c1csc(n1)[*:1] O=C(CNC1(CCCC1)[*:1])Nc1nncs1
Cc1cccc(C)c1NC(=O)NCc1ccc(N2C(=O)c3ccccc3C2=O)cc1 Cc1cccc(C)c1[*:1] O=C(NCc1ccc(cc1)N1C(=O)c2ccccc2C1=O)N[*:1]
COC(=O)c1cccc(C(=O)N2CCOCC2)c1 COC(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCOCC1
[NH3+]Cc1cnn(-c2ccc(Cl)c(F)c2)c1-c1ccccc1 c1ccc(cc1)[*:1] [NH3+]Cc1cnn(-c2ccc(Cl)c(F)c2)c1[*:1]
COc1ccc([C@@H](O)[C@@H](C)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)N[C@@H](C)c1cccc(c1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 COc1ccc(cc1)[*:1] C[C@H](N[C@H](C)[C@H](O)[*:1])c1cccc(c1)C(F)(F)F
Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCc2sccc2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCc2sccc2[C@H]1[*:1]
CCN(CC)C(=O)c1ccc(C(=O)N(C)c2ccc(Cl)cn2)cc1 Clc1ccc(nc1)[*:1] CCN(CC)C(=O)c1ccc(cc1)C(=O)N(C)[*:1]
CCN(CC)C(=O)c1ccc(C(=O)N(C)c2ccc(Cl)cn2)cc1 CCN(CC)C(=O)[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1ccc(Cl)cn1
FC(F)(F)CC[NH2+]Cc1cc(Br)c2c(c1)OCO2 FC(F)(F)[*:1] Brc1cc(cc2OCOc12)C[NH2+]CC[*:1]
FC(F)(F)CC[NH2+]Cc1cc(Br)c2c(c1)OCO2 FC(F)(F)C[*:1] Brc1cc(cc2OCOc12)C[NH2+]C[*:1]
FC(F)(F)CC[NH2+]Cc1cc(Br)c2c(c1)OCO2 FC(F)(F)CC[*:1] Brc1cc(cc2OCOc12)C[NH2+][*:1]
C[C@@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NCc1coc(n1)[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] C[C@@H](NC(=O)NCc1coc(n1)-c1ccccc1)[*:1]
C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 c1cc2OCOc2cc1C[*:1] C[C@H]([C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21)[*:1]
C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 c1cc2OCOc2cc1[*:1] C[C@H](C[*:1])[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21
O=C(O[C@H](c1ccccc1)c1ccccn1)c1ccc(Cl)nc1Cl c1ccc(cc1)[*:1] O=C(O[C@H](c1ccccn1)[*:1])c1ccc(Cl)nc1Cl
O=C(O[C@H](c1ccccc1)c1ccccn1)c1ccc(Cl)nc1Cl c1ccc(nc1)[*:1] O=C(O[C@H](c1ccccc1)[*:1])c1ccc(Cl)nc1Cl
O=C(O[C@H](c1ccccc1)c1ccccn1)c1ccc(Cl)nc1Cl Clc1ccc(c(Cl)n1)[*:1] O=C(O[C@H](c1ccccc1)c1ccccn1)[*:1]
CNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21 CNC(=O)C[*:1] CC(C)(C)c1ccc2OCC(=O)N(c2c1)[*:1]
CNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21 CC(C)(C)[*:1] CNC(=O)CN1C(=O)COc2ccc(cc21)[*:1]
CNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21 CNC(=O)[*:1] CC(C)(C)c1ccc2OCC(=O)N(C[*:1])c2c1
CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1(C)C NC(=O)c1cc(ccn1)[*:1] CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(CC2)O[*:1])C1(C)C
CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1(C)C CC(C)=C[*:1] CC1(C)[C@H](C(=O)N2CCC(CC2)Oc2ccnc(c2)C(N)=O)[C@H]1[*:1]
CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1(C)C NC(=O)[*:1] CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(CC2)Oc2ccnc(c2)[*:1])C1(C)C
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1c[nH]c3ccccc13)n1nc(C(F)(F)F)nc1N2 FC(F)(F)[*:1] O=C1C[C@@H](CC2Nc3nc(nn3[C@@H](C=21)c1c[nH]c2ccccc12)[*:1])c1ccccc1
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1c[nH]c3ccccc13)n1nc(C(F)(F)F)nc1N2 c1ccc2c(c[nH]c2c1)[*:1] O=C1C[C@@H](CC2Nc3nc(nn3[C@H](C=21)[*:1])C(F)(F)F)c1ccccc1
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1c[nH]c3ccccc13)n1nc(C(F)(F)F)nc1N2 c1ccc(cc1)[*:1] O=C1C[C@H](CC2Nc3nc(nn3[C@@H](C=21)c1c[nH]c2ccccc12)C(F)(F)F)[*:1]
O=C(c1ccc(Br)nc1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(Br)nc1)N1CCN(CC1)[*:1]
O=C(c1ccc(Br)nc1)N1CCN(c2ccccc2)CC1 Brc1ccc(cn1)[*:1] O=C(N1CCN(CC1)c1ccccc1)[*:1]
Cc1ccc(NC(=O)CSc2ccc(N3CCC(C(=O)N4CCCCC4)CC3)nn2)cc1F Cc1ccc(cc1F)NC(=O)[*:1] O=C(C1CCN(CC1)c1ccc(nn1)SC[*:1])N1CCCCC1
Cc1ccc(NC(=O)CSc2ccc(N3CCC(C(=O)N4CCCCC4)CC3)nn2)cc1F Cc1ccc(cc1F)[*:1] O=C(CSc1ccc(nn1)N1CCC(CC1)C(=O)N1CCCCC1)N[*:1]
Cc1ccc(NC(=O)CSc2ccc(N3CCC(C(=O)N4CCCCC4)CC3)nn2)cc1F O=C(N1CCCCC1)[*:1] Cc1ccc(cc1F)NC(=O)CSc1ccc(nn1)N1CCC(CC1)[*:1]
CCc1cccc2c(C(=O)CC(C)(C)C)c[nH]c12 CC(C)(C)[*:1] CCc1cccc2c(c[nH]c12)C(=O)C[*:1]
CCc1cccc2c(C(=O)CC(C)(C)C)c[nH]c12 CC(C)(C)C[*:1] CCc1cccc2c(c[nH]c12)C(=O)[*:1]
O=C(c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=S1(=O)C[C@@H]2N=C(Nc3ccc(cc3)[*:1])S[C@H]2C1
Cc1ccc(C(=O)NCCNC(=O)N2CCC(OCC(C)C)CC2)cc1F CC(C)C[*:1] Cc1ccc(cc1F)C(=O)NCCNC(=O)N1CCC(CC1)O[*:1]
Cc1ccc(C(=O)NCCNC(=O)N2CCC(OCC(C)C)CC2)cc1F CC(C)[*:1] Cc1ccc(cc1F)C(=O)NCCNC(=O)N1CCC(CC1)OC[*:1]
Cc1ccc(C(=O)NCCNC(=O)N2CCC(OCC(C)C)CC2)cc1F Cc1ccc(cc1F)[*:1] CC(C)COC1CCN(CC1)C(=O)NCCNC(=O)[*:1]
Cc1ccc(C(=O)NCCNC(=O)N2CCC(OCC(C)C)CC2)cc1F CC(C)CO[*:1] Cc1ccc(cc1F)C(=O)NCCNC(=O)N1CCC(CC1)[*:1]
Cc1cc(=O)oc2c3c(c(CCC(=O)OC(C)C)cc12)OCN(Cc1cccnc1)C3 CC(C)OC(=O)[*:1] Cc1cc(=O)oc2c3CN(COc3c(cc12)CC[*:1])Cc1cccnc1
Cc1cc(=O)oc2c3c(c(CCC(=O)OC(C)C)cc12)OCN(Cc1cccnc1)C3 CC(C)OC(=O)CC[*:1] Cc1cc(=O)oc2c3CN(COc3c(cc12)[*:1])Cc1cccnc1
Cc1cc(=O)oc2c3c(c(CCC(=O)OC(C)C)cc12)OCN(Cc1cccnc1)C3 c1cncc(c1)C[*:1] Cc1cc(=O)oc2c3CN(COc3c(cc12)CCC(=O)OC(C)C)[*:1]
Cc1cc(=O)oc2c3c(c(CCC(=O)OC(C)C)cc12)OCN(Cc1cccnc1)C3 CC(C)OC(=O)C[*:1] Cc1cc(=O)oc2c3CN(COc3c(cc12)C[*:1])Cc1cccnc1
Cc1cc(=O)oc2c3c(c(CCC(=O)OC(C)C)cc12)OCN(Cc1cccnc1)C3 CC(C)[*:1] Cc1cc(=O)oc2c3CN(COc3c(cc12)CCC(=O)O[*:1])Cc1cccnc1
Cc1cc(=O)oc2c3c(c(CCC(=O)OC(C)C)cc12)OCN(Cc1cccnc1)C3 c1cncc(c1)[*:1] Cc1cc(=O)oc2c3CN(COc3c(cc12)CCC(=O)OC(C)C)C[*:1]
C[C@@H](C[C@@H](O)[C@@H]1CCOC2(CCC2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C[C@@H](O)[C@@H]1CCOC2(CCC2)C1)[*:1]
COc1cccc(NC(=O)N(C2=NCCC2)c2cc(C)cc(C)c2)c1 COc1cccc(c1)[*:1] Cc1cc(C)cc(c1)N(C(=O)N[*:1])C1CCCN=1
COc1cccc(NC(=O)N(C2=NCCC2)c2cc(C)cc(C)c2)c1 Cc1cc(C)cc(c1)[*:1] COc1cccc(c1)NC(=O)N(C1CCCN=1)[*:1]
Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cnc12 O=S(=O)(N[*:1])c1ccc(Cl)cc1 Cc1cccc2c(=O)n(cnc12)CCC(=O)Nc1cccc(c1)[*:1]
Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cnc12 Clc1ccc(cc1)[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)Nc1cccc(c1)NS(=O)(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)NCC3(C)Cc4ccccc4C3)CC2)o1 Cc1ccc(o1)[*:1] CC1(CNC(=O)N2CCN(CC2)C(=O)[*:1])Cc2ccccc2C1
N[C@@H](c1ccoc1)c1cccc(C(F)(F)F)c1F c1cc(co1)[*:1] N[C@@H](c1cccc(c1F)C(F)(F)F)[*:1]
N[C@@H](c1ccoc1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] N[C@@H](c1ccoc1)c1cccc(c1F)[*:1]
CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc[nH+]cc2)s1 CC(=O)N[*:1] O=S(=O)(c1ccc(C[*:1])s1)N1CCC[C@@H]1c1cc[nH+]cc1
CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc[nH+]cc2)s1 CC(=O)NC[*:1] O=S(=O)(c1ccc(s1)[*:1])N1CCC[C@@H]1c1cc[nH+]cc1
NS(=O)(=O)NC[C@@H]1CCCN(C(=O)N2CCCC2)C1 NS(=O)(=O)N[*:1] O=C(N1CCCC1)N1CCC[C@H](C1)C[*:1]
NS(=O)(=O)NC[C@@H]1CCCN(C(=O)N2CCCC2)C1 NS(=O)(=O)NC[*:1] O=C(N1CCCC1)N1CCC[C@H](C1)[*:1]
Cc1ccsc1CN(C)C(=O)C(=O)Nc1ccccc1C(C)(C)C Cc1ccsc1[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccccc1C(C)(C)C
Cc1ccsc1CN(C)C(=O)C(=O)Nc1ccccc1C(C)(C)C Cc1ccsc1C[*:1] CN(C(=O)C(=O)Nc1ccccc1C(C)(C)C)[*:1]
Cc1ccsc1CN(C)C(=O)C(=O)Nc1ccccc1C(C)(C)C CC(C)(C)[*:1] Cc1ccsc1CN(C)C(=O)C(=O)Nc1ccccc1[*:1]
Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+](C)Cc2ncnn2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nn(cc1C[NH+](C)Cc1ncnn1C)C[*:1]
Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+](C)Cc2ncnn2C)cc1 Cc1ccc(cc1)[*:1] Cn1ncnc1C[NH+](C)Cc1cn(Cc2ccccc2)nc1[*:1]
Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+](C)Cc2ncnn2C)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1nn(cc1C[NH+](C)Cc1ncnn1C)[*:1]
CCC[NH2+][C@@H]([C@@H](C)CC)[C@@H]1CCCO1 CC[C@H](C)[*:1] CCC[NH2+][C@@H]([C@@H]1CCCO1)[*:1]
CCC[NH2+][C@@H]([C@@H](C)CC)[C@@H]1CCCO1 CCC[*:1] CC[C@H](C)[C@H]([NH2+][*:1])[C@@H]1CCCO1
Cc1ccc(C)c(OCCCSc2ncccn2)c1C c1cnc(nc1)[*:1] Cc1ccc(C)c(OCCCS[*:1])c1C
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)/C=C/c3cccs3)sc2c1 C(=C[*:1])c1cccs1 Cc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)[*:1]
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)/C=C/c3cccs3)sc2c1 c1csc(c1)[*:1] Cc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)C=C[*:1]
CN(CC(C)(C)C[NH3+])C(=O)c1cc([N+](=O)[O-])cn1C O=[N+]([O-])[*:1] CN(CC(C)(C)C[NH3+])C(=O)c1cc(cn1C)[*:1]
CCOC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 CCOC(=O)[*:1] O=C([O-])CCC(=O)Nc1cccc(c1)[*:1]
CCOC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 O=C([O-])CC[*:1] CCOC(=O)c1cccc(c1)NC(=O)[*:1]
CCOC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 O=C([O-])[*:1] CCOC(=O)c1cccc(c1)NC(=O)CC[*:1]
CCOC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 O=C([O-])C[*:1] CCOC(=O)c1cccc(c1)NC(=O)C[*:1]
O=C(NCc1cccc(F)c1)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 Fc1cccc(c1)[*:1] O=C(NC[*:1])c1ccc(C[S@](=O)c2ccc(Br)cc2)o1
O=C(NCc1cccc(F)c1)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] O=C(NCc1cccc(F)c1)c1ccc(C[S@](=O)[*:1])o1
O=C(NCc1cccc(F)c1)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 Fc1cccc(c1)C[*:1] O=C(N[*:1])c1ccc(C[S@](=O)c2ccc(Br)cc2)o1
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Cn1c(=O)n(C)c2ccccc21 COC(=O)[*:1] Cn1c(=O)n(CC(=O)N[C@@H]2CCCCC[C@H]2[*:1])c2ccccc21
O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1cc(Cl)cc(Cl)c1 c1ccc(nc1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])Nc1cc(Cl)cc(Cl)c1
O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1cc(Cl)cc(Cl)c1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccn2)n1[*:1])Nc1cc(Cl)cc(Cl)c1
O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)N[*:1]
CC[C@](CO)(Cc1ccc(O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@](CO)(Cc1ccc(O)cc1)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1)[*:1]
Cc1ccc(Cn2cc(NC(=O)c3cccnc3)cn2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)Cn1cc(cn1)NC(=O)[*:1]
Cc1ccc(Cn2cc(NC(=O)c3cccnc3)cn2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cnn(c1)C[*:1])c1cccnc1
CSC[C@H](NCc1cccc(C(N)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CSC[C@H](NCc1cccc(c1)C(N)=O)[*:1]
CSC[C@H](NCc1cccc(C(N)=O)c1)c1ccccc1 CSC[*:1] NC(=O)c1cccc(c1)CN[C@H](c1ccccc1)[*:1]
CSC[C@H](NCc1cccc(C(N)=O)c1)c1ccccc1 NC(=O)[*:1] CSC[C@H](NCc1cccc(c1)[*:1])c1ccccc1
CC(C)CCC(=O)N1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 CC(C)CC[*:1] O=C(c1ncccc1C(F)(F)F)N1CCN(CC1)C(=O)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 CC(C)C[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ncccc1C(F)(F)F
CC(C)CCC(=O)N1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 CC(C)[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)c1ncccc1C(F)(F)F
CC(C)CCC(=O)N1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)c1ncccc1[*:1]
O=C(N/N=C/C=C/c1ccccc1)[C@H]1C=C(C2CC2)N=N1 c1ccc(cc1)[*:1] O=C(N/N=C/C=C[*:1])[C@H]1C=C(N=N1)C1CC1
O=C(N/N=C/C=C/c1ccccc1)[C@H]1C=C(C2CC2)N=N1 C1CC1[*:1] O=C(N/N=C/C=C/c1ccccc1)[C@H]1C=C(N=N1)[*:1]
C[N+](C)(Cc1ccccc1)C[C@H](O)COc1ccccc1 c1ccc(cc1)C[*:1] C[N+](C)(C[C@H](O)COc1ccccc1)[*:1]
C[N+](C)(Cc1ccccc1)C[C@H](O)COc1ccccc1 c1ccc(cc1)O[*:1] C[N+](C)(Cc1ccccc1)C[C@H](O)C[*:1]
C[N+](C)(Cc1ccccc1)C[C@H](O)COc1ccccc1 c1ccc(cc1)[*:1] C[N+](C)(Cc1ccccc1)C[C@H](O)CO[*:1]
C[N+](C)(Cc1ccccc1)C[C@H](O)COc1ccccc1 c1ccc(cc1)[*:1] C[N+](C)(C[C@H](O)COc1ccccc1)C[*:1]
CCN1CCCC[C@@H]([NH3+])[C@@H]1c1cccc(C2CC2)c1 C1CC1[*:1] CCN1CCCC[C@@H]([NH3+])[C@@H]1c1cccc(c1)[*:1]
Cc1ccc(CN2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1[N+](=O)[O-] C1CCC(C1)[*:1] Cc1ccc(cc1[N+](=O)[O-])CN1CCN(CC1)[C@@H](C)C(=O)N[*:1]
Cc1ccc(CN2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1[N+](=O)[O-] O=C(NC1CCCC1)[*:1] Cc1ccc(cc1[N+](=O)[O-])CN1CCN(CC1)[C@@H](C)[*:1]
Cc1ccc(CN2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])CN1CCN(CC1)[C@@H](C)C(=O)NC1CCCC1
CC[C@H](C)Oc1cccc(NCC(=O)NC)c1 CNC(=O)[*:1] CC[C@H](C)Oc1cccc(c1)NC[*:1]
CC[C@H](C)Oc1cccc(NCC(=O)NC)c1 CNC(=O)C[*:1] CC[C@H](C)Oc1cccc(c1)N[*:1]
CC[C@H](C)Oc1cccc(NCC(=O)NC)c1 CC[C@H](C)[*:1] CNC(=O)CNc1cccc(c1)O[*:1]
CC[C@H](C)Oc1cccc(NCC(=O)NC)c1 CC[C@H](C)O[*:1] CNC(=O)CNc1cccc(c1)[*:1]
Cc1ccc(C)c(NC(=O)Cc2csc(N3CCCC3=O)n2)c1 O=C1CCCN1[*:1] Cc1ccc(C)c(c1)NC(=O)Cc1csc(n1)[*:1]
COc1ccccc1[C@H]1C[C@H]1C(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] COc1ccccc1[C@H]1C[C@H]1C(=O)NCC(C)(C)[*:1]
COc1ccccc1[C@H]1C[C@H]1C(=O)NCC(C)(C)c1ccncc1 COc1ccccc1[*:1] CC(C)(CNC(=O)[C@@H]1C[C@@H]1[*:1])c1ccncc1
CC(C)CN(C)[C@H](C[NH3+])c1cccnc1 CC(C)[*:1] CN(C[*:1])[C@H](C[NH3+])c1cccnc1
CC(C)CN(C)[C@H](C[NH3+])c1cccnc1 CC(C)C[*:1] CN([C@H](C[NH3+])c1cccnc1)[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)NCC(C1CC1)C1CC1 CCC[*:1] O=C(NCC(C1CC1)C1CC1)[C@H]1CSCN1C(=O)[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)NCC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] CCCC(=O)N1CSC[C@@H]1C(=O)NC[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)NCC(C1CC1)C1CC1 C1CC1[*:1] CCCC(=O)N1CSC[C@@H]1C(=O)NCC(C1CC1)[*:1]
CCC(=O)N(C)c1ccccc1C(=O)NCC(=O)OC(C)(C)C CCC(=O)N(C)[*:1] CC(C)(C)OC(=O)CNC(=O)c1ccccc1[*:1]
CCC(=O)N(C)c1ccccc1C(=O)NCC(=O)OC(C)(C)C CC(C)(C)[*:1] CCC(=O)N(C)c1ccccc1C(=O)NCC(=O)O[*:1]
CCC(=O)N(C)c1ccccc1C(=O)NCC(=O)OC(C)(C)C CC(C)(C)OC(=O)[*:1] CCC(=O)N(C)c1ccccc1C(=O)NC[*:1]
C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 FC(F)O[*:1] C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(c(Br)c1)[*:1]
C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 FC(F)[*:1] C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(O[*:1])c(Br)c1
Clc1ccc(-c2nnc(SCc3nc4ccccc4o3)o2)cc1 Clc1ccc(cc1)[*:1] c1ccc2oc(CSc3nnc(o3)[*:1])nc2c1
C#Cc1cccc(NC(=O)/C=C(\C)C(C)(C)C)c1 CC(C)(C)[*:1] C#Cc1cccc(c1)NC(=O)C=C(C)[*:1]
CCOc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br Cc1cc(cc(C)c1Cl)[*:1] CCOc1ccc(cc1Br)C(=O)NNC(=O)CO[*:1]
CCOc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br CCO[*:1] Cc1cc(cc(C)c1Cl)OCC(=O)NNC(=O)c1ccc(c(Br)c1)[*:1]
CCn1cc(CNC[C@@H](C)c2nc(-c3ccccc3)no2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)CNC[C@@H](C)c1nc(no1)[*:1]
CCn1cc(CNC[C@@H](C)c2nc(-c3ccccc3)no2)cn1 CCn1cc(cn1)[*:1] C[C@H](CNC[*:1])c1nc(no1)-c1ccccc1
N#Cc1c([C@H]2CCOC2)cc(-c2cnn(-c3ccccc3)c2)nc1N c1ccc(cc1)[*:1] N#Cc1c(cc(nc1N)-c1cnn(c1)[*:1])[C@H]1CCOC1
O=C(NC[C@@H](O)c1ccc(Cl)s1)C(=O)NC1CC1 Clc1ccc(s1)[*:1] O=C(NC[C@@H](O)[*:1])C(=O)NC1CC1
O=C(NC[C@@H](O)c1ccc(Cl)s1)C(=O)NC1CC1 C1CC1[*:1] O=C(NC[C@@H](O)c1ccc(Cl)s1)C(=O)N[*:1]
Cc1ccc(C(=O)NCC(=O)N(C)C[C@H](O)C2CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N(C)C[C@H](O)[*:1]
C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H](Sc1cc(ncn1)-c1ccccc1)[*:1]
C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)N1CCCC1 c1ccc(cc1)[*:1] C[C@H](Sc1cc(ncn1)[*:1])C(=O)N1CCCC1
NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 c1csc(c1)[*:1] NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1nc(n(n1)-c1ccccc1)[*:1]
NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1nc(-c2cccs2)n(n1)[*:1]
NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 NC(=O)[*:1] O=C(c1nc(-c2cccs2)n(n1)-c1ccccc1)N1C[C@H](O)C[C@@H]1[*:1]
COc1cc(C(=O)NCCc2nc(C)ncc2-c2ccncc2)ccn1 c1cc(ccn1)[*:1] COc1cc(ccn1)C(=O)NCCc1nc(C)ncc1[*:1]
COc1cc(C(=O)NCCc2nc(C)ncc2-c2ccncc2)ccn1 COc1cc(ccn1)[*:1] Cc1ncc(-c2ccncc2)c(CCNC(=O)[*:1])n1
O=C1NC(=O)c2cc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)ccc21 c1csc(c1)[*:1] O=C1NC(=O)c2cc(ccc21)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 CC(C)[*:1] O=C(Nc1cccc(c1)NC(=S)NC(=O)[*:1])c1ccc(Cl)cc1Cl
CC(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 Clc1ccc(c(Cl)c1)[*:1] CC(C)C(=O)NC(=S)Nc1cccc(c1)NC(=O)[*:1]
O=C(NN1c2ccccc2CCc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] O=C(NN1c2ccccc2CCc2ccccc21)[*:1]
CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)Cc2ccc(Cl)nc2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)CS(=O)(=O)Cc1ccc(Cl)nc1
CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)Cc2ccc(Cl)nc2)CC1 Clc1ccc(cn1)C[*:1] CC(C)(C)OC(=O)N1CCC(CC1)CS(=O)(=O)[*:1]
CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)Cc2ccc(Cl)nc2)CC1 Clc1ccc(cn1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)CS(=O)(=O)C[*:1]
CC(=O)N1CCN(Cc2cccc(NC(=O)CCCn3cccn3)n2)CC1 c1cnn(c1)CCC[*:1] CC(=O)N1CCN(CC1)Cc1cccc(n1)NC(=O)[*:1]
CC(=O)N1CCN(Cc2cccc(NC(=O)CCCn3cccn3)n2)CC1 c1cnn(c1)CC[*:1] CC(=O)N1CCN(CC1)Cc1cccc(n1)NC(=O)C[*:1]
CC(=O)N1CCN(Cc2cccc(NC(=O)CCCn3cccn3)n2)CC1 c1cnn(c1)[*:1] CC(=O)N1CCN(CC1)Cc1cccc(n1)NC(=O)CCC[*:1]
CC(=O)N1CCN(Cc2cccc(NC(=O)CCCn3cccn3)n2)CC1 CC(=O)N1CCN(CC1)[*:1] O=C(CCCn1cccn1)Nc1cccc(C[*:1])n1
CC(=O)N1CCN(Cc2cccc(NC(=O)CCCn3cccn3)n2)CC1 c1cnn(c1)C[*:1] CC(=O)N1CCN(CC1)Cc1cccc(n1)NC(=O)CC[*:1]
CC(C)(C)OC(=O)N1CCC(CNC(=O)NCCC2=CCCCC2)CC1 CC(C)(C)[*:1] O=C(NCCC1=CCCCC1)NCC1CCN(CC1)C(=O)O[*:1]
O=C(COc1ccc2ccccc2c1)N(CC1=CC2=CC=N[C@@H]2C=C1)C1CC1 C1CC1[*:1] O=C(COc1ccc2ccccc2c1)N(CC1C=C[C@H]2N=CC=C2C=1)[*:1]
CCCC1C[NH+](CCOc2ccccc2N)C1 CCC[*:1] Nc1ccccc1OCC[NH+]1CC(C1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)c(F)c2F)c1 CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1C(=O)Nc1ccc(F)c(F)c1F)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)c(F)c2F)c1 Fc1ccc(c(F)c1F)[*:1] CCN(CC)S(=O)(=O)c1ccc(C)c(c1)C(=O)N[*:1]
COCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] COCC(=O)N1CC(=O)N(C[C@@H]1C[*:1])c1ccccc1-c1ccccc1
COCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] COCC(=O)N1CC(=O)N(C[C@H]1[*:1])c1ccccc1-c1ccccc1
COCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] COCC(=O)N1CC(=O)N(C[C@@H]1Cc1ccccc1)c1ccccc1[*:1]
COCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 COC[*:1] O=C1CN(C(=O)[*:1])[C@@H](Cc2ccccc2)CN1c1ccccc1-c1ccccc1
C[C@H](NC(=O)[C@@H](C)N(C)CC[NH+]1CCCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)N(C)CC[NH+]1CCCC1)[*:1]
Cc1nc(-c2cccc(CNC(=O)[C@H](C)Sc3ccccn3)c2)n[nH]1 c1ccc(nc1)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)[C@H](C)S[*:1]
Cc1nc(-c2cccc(CNC(=O)[C@H](C)Sc3ccccn3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@H](Sc1ccccn1)C(=O)NCc1cccc(c1)[*:1]
Cc1nc(-c2cccc(CNC(=O)[C@H](C)Sc3ccccn3)c2)n[nH]1 c1ccc(nc1)S[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)[C@H](C)[*:1]
COCC[NH2+]CCC(C)(C)c1cccc2ccccc12 COCC[*:1] CC(C)(CC[NH2+][*:1])c1cccc2ccccc12
COCC[NH2+]CCC(C)(C)c1cccc2ccccc12 COC[*:1] CC(C)(CC[NH2+]C[*:1])c1cccc2ccccc12
C[C@H](CO)[C@@H](C)NC(=O)Nc1ccc(-c2csnn2)cc1 c1snnc1[*:1] C[C@H](CO)[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
C[C@H](CO)[C@@H](C)NC(=O)Nc1ccc(-c2csnn2)cc1 C[C@H](CO)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)-c1csnn1)[*:1]
CCCCN(CC)C(=O)NCc1ccccn1 CCC[*:1] CCN(C[*:1])C(=O)NCc1ccccn1
CCCCN(CC)C(=O)NCc1ccccn1 CCCC[*:1] CCN(C(=O)NCc1ccccn1)[*:1]
CCCn1c(=O)n(CCC(=O)Nc2cccc(Cl)c2C)c2ccccc21 CCC[*:1] Cc1c(Cl)cccc1NC(=O)CCn1c(=O)n(c2ccccc21)[*:1]
CCCn1c(=O)n(CCC(=O)Nc2cccc(Cl)c2C)c2ccccc21 Cc1c(Cl)cccc1[*:1] CCCn1c(=O)n(CCC(=O)N[*:1])c2ccccc21
CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccc2[nH]ccc2c1 CC(C)[*:1] [NH3+]C[C@H](C[*:1])C(=O)Nc1ccc2[nH]ccc2c1
CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccc2[nH]ccc2c1 CC(C)C[*:1] [NH3+]C[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)[*:1]
COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)C3=NNC(=O)CC3)CC2=O)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)CN1C[C@H](CN(CC1=O)C(=O)C1CCC(=O)NN=1)O[*:1]
COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)C3=NNC(=O)CC3)CC2=O)cc1 COc1ccc(cc1)C[*:1] O=C1CCC(=NN1)C(=O)N1CC(=O)N(C[C@H](C1)OCc1ccccc1F)[*:1]
COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)C3=NNC(=O)CC3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C1CCC(=NN1)C(=O)N1CC(=O)N(C[C@H](C1)OCc1ccccc1F)C[*:1]
COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)C3=NNC(=O)CC3)CC2=O)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)CN1C[C@H](CN(CC1=O)C(=O)C1CCC(=O)NN=1)OC[*:1]
COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)C3=NNC(=O)CC3)CC2=O)cc1 Fc1ccccc1CO[*:1] COc1ccc(cc1)CN1C[C@@H](CN(CC1=O)C(=O)C1CCC(=O)NN=1)[*:1]
CC(C)[C@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1=O)N1CCCC1=O c1ccc(cc1)[*:1] CC(C)[C@H](C(=O)N[C@@H]1CCN(C1=O)[*:1])N1CCCC1=O
CC(C)[C@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1=O)N1CCCC1=O CC(C)[*:1] O=C(N[C@@H]1CCN(C1=O)c1ccccc1)[C@H](N1CCCC1=O)[*:1]
CC(C)[C@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1=O)N1CCCC1=O O=C1CCCN1[*:1] CC(C)[C@H](C(=O)N[C@@H]1CCN(C1=O)c1ccccc1)[*:1]
Cn1nnnc1-c1cccc(NCc2nc3c(s2)CCC3)c1 Cn1nnnc1[*:1] c1cc(cc(c1)[*:1])NCc1nc2CCCc2s1
O=C([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Br O=C([O-])[*:1] O=S(=O)(c1ccc(Br)c(c1)[*:1])N1CCCCCC1
CCOC(=O)CSc1nnc(NC(=O)C(F)(F)F)s1 CCOC(=O)C[*:1] O=C(Nc1nnc(S[*:1])s1)C(F)(F)F
CCOC(=O)CSc1nnc(NC(=O)C(F)(F)F)s1 CCOC(=O)[*:1] O=C(Nc1nnc(SC[*:1])s1)C(F)(F)F
CCOC(=O)CSc1nnc(NC(=O)C(F)(F)F)s1 FC(F)(F)[*:1] CCOC(=O)CSc1nnc(NC(=O)[*:1])s1
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 O=C([O-])[*:1] Cc1ccc(cc1S(=O)(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)[*:1]
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C)n(C)n2)n1 Cc1cc(nn1C)[*:1] Cc1cc(C)nc(n1)N[C@@H](Cc1ccccc1)C(=O)N[*:1]
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C)n(C)n2)n1 c1ccc(cc1)C[*:1] Cc1cc(C)nc(n1)N[C@@H](C(=O)Nc1cc(C)n(C)n1)[*:1]
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C)n(C)n2)n1 Cc1cc(C)nc(n1)N[*:1] Cc1cc(nn1C)NC(=O)[C@H](Cc1ccccc1)[*:1]
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C)n(C)n2)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(nn1C)NC(=O)[C@H](Cc1ccccc1)N[*:1]
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C)n(C)n2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)N[C@@H](C[*:1])C(=O)Nc1cc(C)n(C)n1
O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc2c(c1)OCO2 O=[N+]([O-])[*:1] O=C(COc1cc(F)ccc1[*:1])Nc1ccc2OCOc2c1
Cc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN([C@@H]3CCS(=O)(=O)C3)C4)C2=O)c1 Cc1cccc(c1)[*:1] Cc1c2OCN(Cc2cc2C(=O)C(=C[*:1])Oc21)[C@@H]1CCS(=O)(=O)C1
Cc1noc(C)c1NC(=O)[C@]1(C)Oc2ccccc2NC1=O Cc1noc(C)c1[*:1] C[C@]1(Oc2ccccc2NC1=O)C(=O)N[*:1]
OCc1cc(F)c(OC2CCCC2)c(F)c1 C1CCC(C1)[*:1] OCc1cc(F)c(O[*:1])c(F)c1
CCCc1nc(C(C)(C)NC(=O)c2cc(C)n(C(C)(C)C)n2)no1 CCC[*:1] Cc1cc(nn1C(C)(C)C)C(=O)NC(C)(C)c1noc(n1)[*:1]
CCCc1nc(C(C)(C)NC(=O)c2cc(C)n(C(C)(C)C)n2)no1 CC(C)(C)[*:1] CCCc1nc(no1)C(C)(C)NC(=O)c1cc(C)n(n1)[*:1]
CCCc1nc(C(C)(C)NC(=O)c2cc(C)n(C(C)(C)C)n2)no1 CCCc1nc(no1)[*:1] Cc1cc(nn1C(C)(C)C)C(=O)NC(C)(C)[*:1]
COc1ccc(C(C)=O)cc1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 CC(=O)[*:1] COc1ccc(cc1CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1)[*:1]
COc1ccc(C(C)=O)cc1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 c1cc2OCCCOc2cc1[*:1] COc1ccc(cc1CC(=O)N1CCN(CC1)S(=O)(=O)[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 COc1ccc(cc1[*:1])C(C)=O O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1
CC[NH2+]Cc1ccccc1O[C@H](C)C(=O)NC(C)(C)C CC(C)(C)[*:1] CC[NH2+]Cc1ccccc1O[C@H](C)C(=O)N[*:1]
O=C(N/N=C/c1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(N/N=C/c1cccc(F)c1F)c1cccc(c1)[*:1]
O=C1[C@H](Sc2ccnc3ccccc23)CCN1C1CCOCC1 C1CC(CCO1)[*:1] O=C1[C@@H](CCN1[*:1])Sc1ccnc2ccccc12
COc1ccc(-c2csc(NC(=O)c3c(OC)cccc3OC)n2)cc1 COc1ccc(cc1)[*:1] COc1cccc(OC)c1C(=O)Nc1nc(cs1)[*:1]
CNS(=O)(=O)CC(=O)Nc1nnc(Cc2ccc(C)cc2)s1 Cc1ccc(cc1)[*:1] CNS(=O)(=O)CC(=O)Nc1nnc(C[*:1])s1
CNS(=O)(=O)CC(=O)Nc1nnc(Cc2ccc(C)cc2)s1 CNS(=O)(=O)[*:1] Cc1ccc(cc1)Cc1nnc(NC(=O)C[*:1])s1
CNS(=O)(=O)CC(=O)Nc1nnc(Cc2ccc(C)cc2)s1 CNS(=O)(=O)C[*:1] Cc1ccc(cc1)Cc1nnc(NC(=O)[*:1])s1
CCSc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCCCC2)cn1 C1CCC(CC1)[*:1] CCSc1ccc(cn1)NC(=O)[C@@H](C)NC(=O)[*:1]
CCSc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCCCC2)cn1 CCS[*:1] C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(nc1)[*:1]
COc1c(C(=O)N/N=C/c2ccc(C)o2)ccc2ccccc12 Cc1ccc(o1)[*:1] COc1c(ccc2ccccc12)C(=O)NN=C[*:1]
O=C(Nc1cccc2ccccc12)N1CC[NH+](Cc2ccco2)CC1 c1coc(c1)C[*:1] O=C(Nc1cccc2ccccc12)N1CC[NH+](CC1)[*:1]
O=C(Nc1cccc2ccccc12)N1CC[NH+](Cc2ccco2)CC1 c1coc(c1)[*:1] O=C(Nc1cccc2ccccc12)N1CC[NH+](CC1)C[*:1]
N#Cc1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 N#Cc1cccc(c1)[*:1] O=S(=O)(Nc1ccccc1-c1ccccc1)[*:1]
N#Cc1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)S(=O)(=O)Nc1ccccc1[*:1]
Cc1nc(Cc2nnc(N)s2)n(-c2ccccc2Cl)n1 Nc1nnc(s1)[*:1] Cc1nc(C[*:1])n(n1)-c1ccccc1Cl
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)cc1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1nnc(s1)C1CCCCC1)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)cc1 C1CCC(CC1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)[N-]c1nnc(s1)[*:1]
CCCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3cccc(OC)c3)ccc21 COc1cccc(c1)[*:1] CCCS(=O)(=O)N1CCCc2cc(ccc21)NC(=O)N[*:1]
CCCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3cccc(OC)c3)ccc21 CCC[*:1] COc1cccc(c1)NC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
CCC[NH2+]C[C@@]1(O)CCCc2ccc(OC)cc21 CCC[*:1] COc1ccc2CCC[C@](O)(C[NH2+][*:1])c2c1
CC[NH+](CC)[C@@H](CNC(=O)N1CCOCC[C@@H]1C)c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@@H](CNC(=O)N1CCOCC[C@@H]1C)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1nc(-c2cccs2)n(C)c1=O c1csc(c1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1nc(n(C)c1=O)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1nc(-c2cccs2)n(C)c1=O Clc1ccccc1[*:1] Cc1onc(c1C(=O)NCCn1nc(-c2cccs2)n(C)c1=O)[*:1]
O=C1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CCCC1 O=C1CCC[C@H]1[*:1] O=C(CC1CCCC1)N1CCCC[C@@H]1[*:1]
O=C1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CCCC1 C1CCC(C1)[*:1] O=C1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[*:1]
O=C1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CCCC1 C1CCC(C1)C[*:1] O=C1CCC[C@@H]1[C@H]1CCCCN1C(=O)[*:1]
O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NO[C@H]1CCCCO1 Clc1ccccc1[*:1] O=C(C[C@H](NC(=O)[*:1])c1ccccc1)NO[C@H]1CCCCO1
O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NO[C@H]1CCCCO1 c1ccc(cc1)[*:1] O=C(C[C@H](NC(=O)c1ccccc1Cl)[*:1])NO[C@H]1CCCCO1
Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3noc(C)n3)CC2)o1 Cc1ccc(o1)[*:1] Cc1nc(no1)C1CC[NH+](CC1)Cc1c[nH]nc1[*:1]
Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3noc(C)n3)CC2)o1 Cc1nc(no1)[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
O[C@H](CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccncc1 c1cc(ccn1)[*:1] O[C@H](CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)[*:1]
O[C@H](CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccncc1 Fc1cccc(c1)[*:1] O[C@H](CN[C@@H](Cc1cccc(F)c1)[*:1])c1ccncc1
O[C@H](CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccncc1 Fc1cccc(c1)C[*:1] O[C@H](CN[C@@H](c1cccc(F)c1)[*:1])c1ccncc1
O[C@H](CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccncc1 Fc1cccc(c1)[*:1] O[C@H](CN[C@@H](C[*:1])c1cccc(F)c1)c1ccncc1
O[C@H](CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccncc1 O[C@H](c1ccncc1)[*:1] Fc1cccc(c1)C[C@H](NC[*:1])c1cccc(F)c1
C[C@@H](CCO)S[C@@H]1CC[C@@](C#N)(NC2CC2)C1 C[C@@H](CCO)[*:1] N#C[C@]1(CC[C@H](C1)S[*:1])NC1CC1
C[C@@H](CCO)S[C@@H]1CC[C@@](C#N)(NC2CC2)C1 C1CC1[*:1] C[C@@H](CCO)S[C@@H]1CC[C@](C#N)(C1)N[*:1]
C[C@@H](CCO)S[C@@H]1CC[C@@](C#N)(NC2CC2)C1 OCC[*:1] C[C@@H](S[C@@H]1CC[C@](C#N)(C1)NC1CC1)[*:1]
C[C@@H](CCO)S[C@@H]1CC[C@@](C#N)(NC2CC2)C1 C1CC1N[*:1] C[C@@H](CCO)S[C@@H]1CC[C@@](C#N)(C1)[*:1]
C[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H](O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H]([NH2+]C1CCN(CC1)c1nccs1)[C@H](O)[*:1]
C[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H](O)c1ccc(F)c(F)c1 c1csc(n1)[*:1] C[C@H]([NH2+]C1CCN(CC1)[*:1])[C@H](O)c1ccc(F)c(F)c1
Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1C Cc1ccc(cc1C)O[*:1] O=C1c2ccc(cc2C(=O)N1c1ccc(O)cc1)[*:1]
Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1C Oc1ccc(cc1)[*:1] Cc1ccc(cc1C)Oc1ccc2C(=O)N(C(=O)c2c1)[*:1]
Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1C Cc1ccc(cc1C)[*:1] O=C1c2ccc(cc2C(=O)N1c1ccc(O)cc1)O[*:1]
CCSc1ncc(CN2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)cn1 CC(C)NC(=O)[*:1] CCSc1ncc(cn1)CN1C[C@@H]([NH3+])C[C@@H]1[*:1]
CCSc1ncc(CN2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)cn1 CCS[*:1] CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cnc(nc1)[*:1]
CCSc1ncc(CN2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)cn1 CC(C)[*:1] CCSc1ncc(cn1)CN1C[C@@H]([NH3+])C[C@H]1C(=O)N[*:1]
C[C@H](SC[C@H](C)CO)C(=O)c1ccc(Cl)cc1Cl C[C@H](CO)C[*:1] C[C@H](S[*:1])C(=O)c1ccc(Cl)cc1Cl
C[C@H](SC[C@H](C)CO)C(=O)c1ccc(Cl)cc1Cl C[C@H](CO)CS[*:1] C[C@H](C(=O)c1ccc(Cl)cc1Cl)[*:1]
C[C@H](SC[C@H](C)CO)C(=O)c1ccc(Cl)cc1Cl C[C@H](CO)[*:1] C[C@H](SC[*:1])C(=O)c1ccc(Cl)cc1Cl
Cc1ccc(C(=O)Nc2ncc(Cc3cccc([N+](=O)[O-])c3)s2)o1 Cc1ccc(o1)[*:1] O=C(Nc1ncc(Cc2cccc(c2)[N+](=O)[O-])s1)[*:1]
Cc1ccc(C(=O)Nc2ncc(Cc3cccc([N+](=O)[O-])c3)s2)o1 O=[N+]([O-])[*:1] Cc1ccc(o1)C(=O)Nc1ncc(Cc2cccc(c2)[*:1])s1
COc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C)CCC4)CC2=O)cc1 COc1ccc(cc1)[*:1] Cn1nc2CCCc2c1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)[C@@H](NC(=O)CN(C)c1ccc(C#N)cn1)C(=O)N(C)C CN(C)C(=O)[*:1] CC(C)[C@@H](NC(=O)CN(C)c1ccc(C#N)cn1)[*:1]
CC(C)[C@@H](NC(=O)CN(C)c1ccc(C#N)cn1)C(=O)N(C)C CC(C)[*:1] CN(C)C(=O)[C@H](NC(=O)CN(C)c1ccc(C#N)cn1)[*:1]
COC[C@](C)(NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)c1ccccc1 COC[*:1] Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@](C)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)[*:1]
COC[C@](C)(NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)c1ccccc1 Cc1nn(C)c(C)c1[*:1] COC[C@](C)(NC(=O)[C@@H](C)C[*:1])c1ccccc1
CCSc1ccccc1C(=O)Nc1nc2c(OC)ccc(Cl)c2s1 CCS[*:1] COc1ccc(Cl)c2sc(nc12)NC(=O)c1ccccc1[*:1]
CCCN(C(=O)[C@@H](C)Nc1ccc(C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCN(C(=O)[C@@H](C)Nc1ccc(C)c(Cl)c1)[*:1]
CCCN(C(=O)[C@@H](C)Nc1ccc(C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1ccc(cc1Cl)N[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCN(C(=O)[C@@H](C)Nc1ccc(C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 Cc1ccc(cc1Cl)[*:1] CCCN(C(=O)[C@@H](C)N[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)Cn1c(SCc2cc(=O)c(O)co2)nnc1-c1ccco1 CC(C)C[*:1] O=c1cc(CSc2nnc(-c3ccco3)n2[*:1])occ1O
CC(C)Cn1c(SCc2cc(=O)c(O)co2)nnc1-c1ccco1 O=c1cc(occ1O)[*:1] CC(C)Cn1c(nnc1-c1ccco1)SC[*:1]
CC(C)Cn1c(SCc2cc(=O)c(O)co2)nnc1-c1ccco1 c1coc(c1)[*:1] CC(C)Cn1c(nnc1[*:1])SCc1cc(=O)c(O)co1
CC(C)Cn1c(SCc2cc(=O)c(O)co2)nnc1-c1ccco1 CC(C)[*:1] O=c1cc(CSc2nnc(-c3ccco3)n2C[*:1])occ1O
COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C3CC3)ccc2C1=O O=C(O[*:1])C1CC1 COc1ccc(Br)cc1/C=C1\Oc2cc(ccc2C1=O)[*:1]
COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C3CC3)ccc2C1=O C1CC1[*:1] COc1ccc(Br)cc1/C=C1\Oc2cc(ccc2C1=O)OC(=O)[*:1]
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4cc(C)ccc4C)c(=O)n3c2c1 CC[C@@H](C)NC(=O)[*:1] Cc1ccc(C)c(c1)Cn1nc2n(c(=O)c3ccc(cc3n2c1=O)[*:1])C(C)C
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4cc(C)ccc4C)c(=O)n3c2c1 CC(C)[*:1] CC[C@@H](C)NC(=O)c1ccc2c(=O)n(c3nn(Cc4cc(C)ccc4C)c(=O)n3c2c1)[*:1]
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4cc(C)ccc4C)c(=O)n3c2c1 Cc1ccc(C)c(c1)[*:1] CC[C@@H](C)NC(=O)c1ccc2c(=O)n(c3nn(C[*:1])c(=O)n3c2c1)C(C)C
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4cc(C)ccc4C)c(=O)n3c2c1 Cc1ccc(C)c(c1)C[*:1] CC[C@@H](C)NC(=O)c1ccc2c(=O)n(c3nn(c(=O)n3c2c1)[*:1])C(C)C
C[C@@H](O)[C@H]1NC(=O)[C@H]2Cc3ccccc3CN2C1=O C[C@@H](O)[*:1] O=C1N[C@@H](C(=O)N2Cc3ccccc3C[C@H]12)[*:1]
CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1 Fc1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)C(=O)NC[C@@H](N1CC[NH+](C)CC1)[*:1]
CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1 CSc1cccc(c1)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)C(=O)N[*:1])c1ccc(F)cc1
C[NH+](C)CCn1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 O=[N+]([O-])[*:1] C[NH+](C)CCn1cc(cn1)NC(=O)c1ccc(Cl)cc1[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(-c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(cc1)[*:1]
Cc1nc(C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)c(C)s1 Cc1nc(c(C)s1)[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[*:1]
C/C=C(/C)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 CC=C(C)[*:1] O=C(Nc1cccc(c1)C[S@@](=O)C1CCCCC1)[*:1]
C/C=C(/C)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] C/C=C(/C)C(=O)Nc1cccc(c1)C[S@@](=O)[*:1]
C/C=C(/C)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 C/C=C(/C)C(=O)N[*:1] O=[S@](Cc1cccc(c1)[*:1])C1CCCCC1
COC(=O)[C@@H](C)Sc1cnc2ccccc2n1 COC(=O)[*:1] C[C@@H](Sc1cnc2ccccc2n1)[*:1]
CCOc1ccc(S(=O)(=O)NC[C@H](O)c2ccc3c(c2)CCO3)cc1 CCO[*:1] O=S(=O)(NC[C@H](O)c1ccc2OCCc2c1)c1ccc(cc1)[*:1]
COC(=O)[C@@H](CNC(=O)C(C)C)Oc1ccc(F)cc1 COC(=O)[*:1] CC(C)C(=O)NC[C@@H](Oc1ccc(F)cc1)[*:1]
COC(=O)[C@@H](CNC(=O)C(C)C)Oc1ccc(F)cc1 CC(C)[*:1] COC(=O)[C@@H](CNC(=O)[*:1])Oc1ccc(F)cc1
COC(=O)[C@@H](CNC(=O)C(C)C)Oc1ccc(F)cc1 CC(C)C(=O)N[*:1] COC(=O)[C@@H](C[*:1])Oc1ccc(F)cc1
C[C@H](O)CN(C)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] C[C@H](O)CN(C)C(=O)N[C@@H](c1ccc(Cl)c(Cl)c1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@H](O)CN(C)C(=O)N[C@@H](c1ccccc1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 C[C@H](O)C[*:1] CN(C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 C[C@H](O)[*:1] CN(C[*:1])C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1
COc1ccccc1CNC(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] COc1ccccc1CNC(=O)c1ccc(cc1)[*:1]
CC[C@]1(Cc2ccn(C3CCCC3)n2)CCCCC[NH2+]1 C1CCC(C1)[*:1] CC[C@@]1(CCCCC[NH2+]1)Cc1ccn(n1)[*:1]
COc1cc(OC)cc([C@@H]2CCN(Cc3nc(C)cs3)C2)c1 Cc1csc(n1)[*:1] COc1cc(cc(c1)[C@@H]1CCN(C1)C[*:1])OC
COc1cc(OC)cc([C@@H]2CCN(Cc3nc(C)cs3)C2)c1 Cc1csc(C[*:1])n1 COc1cc(cc(c1)[C@@H]1CCN(C1)[*:1])OC
COc1cccc(CN2CC3(CC[NH+](Cc4ccoc4)CC3)CC2=O)c1 COc1cccc(c1)[*:1] O=C1CC2(CC[NH+](CC2)Cc2ccoc2)CN1C[*:1]
COc1cccc(CN2CC3(CC[NH+](Cc4ccoc4)CC3)CC2=O)c1 c1cc(co1)[*:1] COc1cccc(c1)CN1CC2(CC[NH+](CC2)C[*:1])CC1=O
COc1ccc(NC(=O)CCN2CCn3c(nn(C)c3=O)C2)cc1 COc1ccc(cc1)[*:1] Cn1nc2CN(CCC(=O)N[*:1])CCn2c1=O
CC[C@@H]1CC[C@H](n2c(CCCl)nc3cnccc32)[C@@H]1C ClCC[*:1] CC[C@@H]1CC[C@@H]([C@@H]1C)n1c(nc2cnccc21)[*:1]
O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C1 O=C([O-])[*:1] O=S(=O)(N[C@H]1C=C[C@H](C1)[*:1])c1ccc(Cl)cc1
NC(=O)CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 NC(=O)CC[*:1] O=C(Nc1ccccc1C[NH+]1CCCC1)C(=O)N1CCC[C@H](C1)[*:1]
NC(=O)CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 NC(=O)C[*:1] O=C(Nc1ccccc1C[NH+]1CCCC1)C(=O)N1CCC[C@H](C1)C[*:1]
NC(=O)CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 NC(=O)[*:1] O=C(Nc1ccccc1C[NH+]1CCCC1)C(=O)N1CCC[C@@H](CC[*:1])C1
C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccc(C)cc1)C2 CN(C)C(=O)[*:1] C=CCn1nc(c2C[C@H](CCc21)NCc1ccc(C)cc1)[*:1]
C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccc(C)cc1)C2 Cc1ccc(cc1)C[*:1] C=CCn1nc(C(=O)N(C)C)c2C[C@H](CCc21)N[*:1]
C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccc(C)cc1)C2 Cc1ccc(cc1)[*:1] C=CCn1nc(C(=O)N(C)C)c2C[C@H](CCc21)NC[*:1]
C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccc(C)cc1)C2 C=CC[*:1] Cc1ccc(cc1)CN[C@H]1CCc2c(C1)c(nn2[*:1])C(=O)N(C)C
CC(C)c1nn(C)c(Cl)c1CN1CCCN(c2ccccc2C#N)CC1 CC(C)[*:1] Cn1nc(c(CN2CCCN(CC2)c2ccccc2C#N)c1Cl)[*:1]
CC(C)c1nn(C)c(Cl)c1CN1CCCN(c2ccccc2C#N)CC1 N#Cc1ccccc1[*:1] CC(C)c1nn(C)c(Cl)c1CN1CCCN(CC1)[*:1]
Cc1cc2nc(SCCC(=O)Nc3ccccc3Cl)[nH]c2cc1C Clc1ccccc1[*:1] Cc1cc2nc([nH]c2cc1C)SCCC(=O)N[*:1]
Cc1ccc(CC(=O)NCCc2nnc3n2CCC3)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])NCCc1nnc2CCCn21
C[C@@H]([NH2+][C@@H]1CC[C@H]([NH+](C)C)C1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H]1CC[C@@H](C1)[NH+](C)C)[C@H](C)[*:1]
CS[C@@H]1CC[C@@H](NC(=O)c2ccc(OCc3ccccn3)cc2)C1 c1ccc(C[*:1])nc1 CS[C@@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)O[*:1]
CS[C@@H]1CC[C@@H](NC(=O)c2ccc(OCc3ccccn3)cc2)C1 c1ccc(nc1)[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)OC[*:1]
CS[C@@H]1CC[C@@H](NC(=O)c2ccc(OCc3ccccn3)cc2)C1 c1ccc(CO[*:1])nc1 CS[C@@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)c1ccc2cc[nH]c2n1)C(=O)Nc1nccs1 CC(C)[*:1] O=C(N[C@H](C(=O)Nc1nccs1)[*:1])c1ccc2cc[nH]c2n1
CC(C)[C@H](NC(=O)c1ccc2cc[nH]c2n1)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] CC(C)[C@H](NC(=O)c1ccc2cc[nH]c2n1)[*:1]
CC(C)[C@H](NC(=O)c1ccc2cc[nH]c2n1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)[C@H](NC(=O)c1ccc2cc[nH]c2n1)C(=O)N[*:1]
CCOC(=O)c1ncoc1-c1ccccc1SC CCOC(=O)[*:1] CSc1ccccc1-c1ocnc1[*:1]
Cc1noc(C2CC[NH+](CCCS(=O)(=O)c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)C1CC[NH+](CCCS(=O)(=O)[*:1])CC1
Cc1noc(C2CC[NH+](CCCS(=O)(=O)c3ccccc3)CC2)n1 Cc1noc(n1)[*:1] O=S(=O)(CCC[NH+]1CCC(CC1)[*:1])c1ccccc1
COC(=O)/C=C1\S/C(=N\c2ccccc2OC)NC1=O COC(=O)[*:1] COc1ccccc1/N=C1/NC(=O)C(=C[*:1])S1
Cc1ccc([C@@H](C)NC(=O)c2c(Cl)cccc2Cl)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)c1c(Cl)cccc1Cl)[*:1]
C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cc2ccccc2o1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1cc2cccc(c2[nH]1)[*:1])c1cc2ccccc2o1
Cc1[nH]c(=O)sc1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1[nH]c(=O)sc1S(=O)(=O)N[C@@H]1CCCCC[C@H]1[*:1]
Cc1[nH]c(=O)sc1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] Cc1[nH]c(=O)sc1[*:1] O=C([O-])[C@H]1CCCCC[C@H]1NS(=O)(=O)[*:1]
CN1CCO[C@@H](c2noc(C3=C4CCC[C@@H]4SC3=N)n2)C1 CN1CCO[C@@H](C1)[*:1] N=C1S[C@H]2CCCC2=C1c1nc(no1)[*:1]
O=C(NCc1ccc(O)c(Br)c1)C(=O)Nc1ccc2c(c1)COC2 Oc1ccc(cc1Br)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2COCc2c1
COCCNC(=O)CNc1cc(Cl)c(Cl)cc1Cl COCC[*:1] O=C(CNc1cc(Cl)c(Cl)cc1Cl)N[*:1]
COCCNC(=O)CNc1cc(Cl)c(Cl)cc1Cl COC[*:1] O=C(CNc1cc(Cl)c(Cl)cc1Cl)NC[*:1]
O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1)N[*:1]
O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)NC1CCCC1 O=C(C[*:1])NC1CCCC1 O=S(=O)(c1ccc2CCCCc2c1)N1CCN(CC1)[*:1]
O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=S(=O)(c1ccc2CCCCc2c1)N1CCN(CC1)C[*:1]
C[C@@H]1OCC[C@@H]1[C@H](O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@@H]1OCC[C@@H]1[C@H](O)c1ccc(cc1)[*:1]
O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccccc1F FC(F)(F)[*:1] O=C(COC(=O)c1ccccc1[*:1])Nc1ccccc1F
O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccccc1F Fc1ccccc1[*:1] O=C(COC(=O)c1ccccc1C(F)(F)F)N[*:1]
CCCCn1c(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc(C)c1C CCC[*:1] Cc1nc(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)n(C[*:1])c1C
CCCCn1c(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc(C)c1C CCCC[*:1] Cc1nc(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)n(c1C)[*:1]
CCCCn1c(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc(C)c1C O=S1(=O)CC[C@H](C1)[*:1] CCCCn1c(nc(C)c1C)S[C@@H](C)C(=O)N[*:1]
Cc1cc(C)c(CS(=O)(=O)[C@H](C)C(=O)Nc2cc(C)ccc2C)c(C)c1 Cc1ccc(C)c(c1)[*:1] Cc1cc(C)c(CS(=O)(=O)[C@H](C)C(=O)N[*:1])c(C)c1
O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[*:1]
O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@H]1CCOC1 C1C[C@@H](CO1)C[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)N[*:1]
COC[C@H](C)Nc1ncnc(Nc2cc(F)ccc2F)c1N COC[*:1] C[C@H](Nc1ncnc(Nc2cc(F)ccc2F)c1N)[*:1]
COC[C@H](C)Nc1ncnc(Nc2cc(F)ccc2F)c1N COC[C@H](C)N[*:1] Nc1c(ncnc1[*:1])Nc1cc(F)ccc1F
COC[C@H](C)Nc1ncnc(Nc2cc(F)ccc2F)c1N COC[C@H](C)[*:1] Nc1c(ncnc1N[*:1])Nc1cc(F)ccc1F
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(C)nn3Cc3ccccc3)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N(C)[*:1])n(Cc2ccccc2)n1
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(C)nn3Cc3ccccc3)c2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)N(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1cc(C)nn1[*:1]
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(C)nn3Cc3ccccc3)c2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1cc(C)nn1C[*:1]
C[NH2+]C[C@H](C)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 O=C([O-])[*:1] C[NH2+]C[C@H](C)C(=O)N1CC[C@](C1)(C(F)(F)F)[*:1]
C[NH2+]C[C@H](C)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 FC(F)(F)[*:1] C[NH2+]C[C@H](C)C(=O)N1CC[C@](C1)(C(=O)[O-])[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](Sc2ccc(C)cn2)C(C)C)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@H](Sc1ccc(C)cn1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](Sc2ccc(C)cn2)C(C)C)cc1 Cc1ccc(nc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@H](S[*:1])C(C)C
CC(=O)Nc1ccc(NC(=O)[C@H](Sc2ccc(C)cn2)C(C)C)cc1 CC(=O)N[*:1] Cc1ccc(nc1)S[C@@H](C(=O)Nc1ccc(cc1)[*:1])C(C)C
CC(=O)Nc1ccc(NC(=O)[C@H](Sc2ccc(C)cn2)C(C)C)cc1 Cc1ccc(nc1)S[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@H](C(C)C)[*:1]
COc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)NC(=O)c1ccccc1NC(=O)CO[*:1]
COc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2F)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccccc1F)Nc1ccccc1C(=O)N[*:1]
COc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2F)cc1 Fc1ccccc1O[*:1] COc1ccc(cc1)NC(=O)c1ccccc1NC(=O)C[*:1]
COc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2F)cc1 Fc1ccccc1OC[*:1] COc1ccc(cc1)NC(=O)c1ccccc1NC(=O)[*:1]
O=S(=O)(c1cccc(/N=C/c2ccccc2O)c1)N1CCOCC1 Oc1ccccc1[*:1] O=S(=O)(c1cccc(c1)N=C[*:1])N1CCOCC1
O=C1CCC(=O)N1CCNc1c(F)cc([N+](=O)[O-])cc1Br O=C1CCC(=O)N1[*:1] O=[N+]([O-])c1cc(F)c(NCC[*:1])c(Br)c1
O=C1CCC(=O)N1CCNc1c(F)cc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] O=C1CCC(=O)N1CCNc1c(F)cc(cc1Br)[*:1]
C/[NH+]=C(/NCCOC[C@@H]1CCCO1)N1CCC(C)CC1 C1CO[C@@H](C1)[*:1] C/[NH+]=C(/NCCOC[*:1])N1CCC(C)CC1
C/[NH+]=C(/NCCOC[C@@H]1CCCO1)N1CCC(C)CC1 C1CO[C@@H](C1)C[*:1] C/[NH+]=C(/NCCO[*:1])N1CCC(C)CC1
c1ncn(C2CC[NH+](Cc3cc[nH]c3)CC2)n1 c1cc(c[nH]1)[*:1] c1ncn(n1)C1CC[NH+](CC1)C[*:1]
c1ncn(C2CC[NH+](Cc3cc[nH]c3)CC2)n1 c1ncn(n1)[*:1] c1cc(c[nH]1)C[NH+]1CCC(CC1)[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)Cc1ccccc1Cl CC(C)[*:1] O=C(Cc1ccccc1Cl)N1CCC[C@H]1c1nncn1C[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)Cc1ccccc1Cl Clc1ccccc1C[*:1] CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)Cc1ccccc1Cl Clc1ccccc1[*:1] CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)C[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)Cc1ccccc1Cl CC(C)C[*:1] O=C(Cc1ccccc1Cl)N1CCC[C@H]1c1nncn1[*:1]
Cc1ccc(S(=O)(=O)C[C@H](O)COc2ccc(F)cc2Cl)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(C[C@H](O)COc1ccc(F)cc1Cl)[*:1]
COc1cccc(N2CCC[C@H](NS(=O)(=O)CC3CCC3)C2)c1 C1CC(C1)[*:1] COc1cccc(c1)N1CCC[C@@H](C1)NS(=O)(=O)C[*:1]
COc1cccc(N2CCC[C@H](NS(=O)(=O)CC3CCC3)C2)c1 C1CC(C1)C[*:1] COc1cccc(c1)N1CCC[C@@H](C1)NS(=O)(=O)[*:1]
COCCc1ccc(OS(=O)(=O)Cc2cccc(C)c2)cc1 COC[*:1] Cc1cccc(c1)CS(=O)(=O)Oc1ccc(cc1)C[*:1]
COCCc1ccc(OS(=O)(=O)Cc2cccc(C)c2)cc1 COCC[*:1] Cc1cccc(c1)CS(=O)(=O)Oc1ccc(cc1)[*:1]
COCCc1ccc(OS(=O)(=O)Cc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] COCCc1ccc(cc1)OS(=O)(=O)C[*:1]
Cc1ccc(OCC(=O)Nc2ccnn2CC(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(OCC(=O)Nc2ccnn2C[*:1])c(C)c1
Cc1ccc(OCC(=O)Nc2ccnn2CC(C)C)c(C)c1 CC(C)C[*:1] Cc1ccc(OCC(=O)Nc2ccnn2[*:1])c(C)c1
Cc1cccc(/C([O-])=C(/C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 Cc1cccc(c1)[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)/C(C#N)=C(/[O-])[*:1]
Cc1cccc(/C([O-])=C(/C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 CN(C)C(=O)[*:1] Cc1cccc(c1)/C([O-])=C(/C#N)C(=O)Nc1ccc(cc1)[*:1]
COc1csc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1 COc1csc(c1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
COc1csc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1 c1cnc(nc1)[*:1] COc1csc(c1)C(=O)NC[C@@H]1CCCN(C1)[*:1]
CCCN(CCC)C(=O)Nc1cc(Cl)c(OC)cc1OC CCC[*:1] CCCN(C(=O)Nc1cc(Cl)c(cc1OC)OC)[*:1]
Cc1cccc(NC(=O)[C@H](C)N2CC[NH+](Cc3cccnc3)CC2)c1C Cc1cccc(c1C)[*:1] C[C@@H](C(=O)N[*:1])N1CC[NH+](CC1)Cc1cccnc1
Cc1cccc(NC(=O)[C@H](C)N2CC[NH+](Cc3cccnc3)CC2)c1C c1cncc(c1)[*:1] Cc1cccc(NC(=O)[C@H](C)N2CC[NH+](CC2)C[*:1])c1C
Cc1cccc(NC(=O)[C@H](C)N2CC[NH+](Cc3cccnc3)CC2)c1C c1cncc(c1)C[*:1] Cc1cccc(NC(=O)[C@H](C)N2CC[NH+](CC2)[*:1])c1C
COC(=O)c1ccc([C@@H]2[C@H]3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 c1coc(c1)[*:1] COC(=O)c1ccc(cc1)[C@@H]1[C@H]2C(=O)C[C@@H](CC2=Nc2ccccc2N1C(=O)C1CC1)[*:1]
COC(=O)c1ccc([C@@H]2[C@H]3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 C1CC1[*:1] COC(=O)c1ccc(cc1)[C@@H]1[C@H]2C(=O)C[C@H](CC2=Nc2ccccc2N1C(=O)[*:1])c1ccco1
COC(=O)c1ccc([C@@H]2[C@H]3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 COC(=O)c1ccc(cc1)[*:1] O=C1C[C@H](CC2=Nc3ccccc3N(C(=O)C3CC3)[C@@H]([C@@H]12)[*:1])c1ccco1
COC(=O)c1ccc([C@@H]2[C@H]3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 COC(=O)[*:1] O=C1C[C@H](CC2=Nc3ccccc3N(C(=O)C3CC3)[C@H](c3ccc(cc3)[*:1])[C@@H]12)c1ccco1
C[NH2+][C@H]1CC[C@@H](C(C)C)C[C@H]1Cc1nccs1 c1csc(n1)[*:1] C[NH2+][C@H]1CC[C@H](C[C@H]1C[*:1])C(C)C
C[NH2+][C@H]1CC[C@@H](C(C)C)C[C@H]1Cc1nccs1 CC(C)[*:1] C[NH2+][C@H]1CC[C@@H](C[C@H]1Cc1nccs1)[*:1]
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)Cc2ccccc2)c1 NC(=O)[*:1] O=C(Cc1ccccc1)Nc1cc(ccc1N1CCCCC1)[*:1]
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] NC(=O)c1ccc(c(c1)NC(=O)[*:1])N1CCCCC1
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] NC(=O)c1ccc(c(c1)NC(=O)C[*:1])N1CCCCC1
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)Cc2ccccc2)c1 C1CCN(CC1)[*:1] NC(=O)c1ccc(c(c1)NC(=O)Cc1ccccc1)[*:1]
C[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H]1[*:1]
COc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)S(=O)(=O)NC[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCCC[C@H]1C Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)NC[*:1])C(=O)N1CCCC[C@H]1C
CCOc1cc(C(=O)NN2CCOCC2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C(=O)NN1CCOCC1
CC(=O)c1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1 CC(=O)[*:1] O=[N+]([O-])c1c(Cl)ncnc1Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)c1ccc(cc1)Nc1ncnc(Cl)c1[*:1]
Cc1ccc(-n2nnnc2SCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)-n1nnnc1SC[*:1]
Cc1ccc(-n2nnnc2SCc2ccccc2Cl)cc1 Cc1ccc(cc1)[*:1] Clc1ccccc1CSc1nnnn1[*:1]
CCOC[C@@H](O)[C@@H]1CN2CCC[C@@H]2CO1 CCO[*:1] O[C@H](C[*:1])[C@@H]1CN2CCC[C@@H]2CO1
CCOC[C@@H](O)[C@@H]1CN2CCC[C@@H]2CO1 CCOC[*:1] O[C@@H]([C@@H]1CN2CCC[C@@H]2CO1)[*:1]
CNC(=O)c1cccc(C(=O)NCc2cn(-c3ccccc3)nn2)c1 c1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)C(=O)NCc1cn(nn1)[*:1]
CNC(=O)c1cccc(C(=O)NCc2cn(-c3ccccc3)nn2)c1 CNC(=O)[*:1] O=C(NCc1cn(nn1)-c1ccccc1)c1cccc(c1)[*:1]
COC(=O)[C@@H]1CCCCN1CC1(CO)COC1 COC(=O)[*:1] OCC1(COC1)CN1CCCC[C@H]1[*:1]
CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC2(C)C)c1 CC(=O)[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(CN1N=N[C@H]2C(=O)N(C(=O)[C@H]21)c1ccc(Cl)cc1)N[*:1]
Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)c(Cl)c1 Clc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(C(=O)[C@H]32)[*:1])c(Cl)c1
Cc1ccc2nc(C)c(C)c(C(=O)N3CCC4(CC[C@@H](CNC(=O)C5CCCCC5)O4)CC3)c2c1 C1CCC(CC1)[*:1] Cc1ccc2nc(C)c(C)c(C(=O)N3CCC4(CC[C@@H](CNC(=O)[*:1])O4)CC3)c2c1
Cc1ccc2nc(C)c(C)c(C(=O)N3CCC4(CC[C@@H](CNC(=O)C5CCCCC5)O4)CC3)c2c1 O=C(NC[*:1])C1CCCCC1 Cc1ccc2nc(C)c(C)c(C(=O)N3CCC4(CC[C@@H](O4)[*:1])CC3)c2c1
Cc1ccc2nc(C)c(C)c(C(=O)N3CCC4(CC[C@@H](CNC(=O)C5CCCCC5)O4)CC3)c2c1 O=C(N[*:1])C1CCCCC1 Cc1ccc2nc(C)c(C)c(C(=O)N3CCC4(CC[C@@H](C[*:1])O4)CC3)c2c1
NC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)cc1 NC(=O)N[*:1] O=C(N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)c1ccc(cc1)[*:1]
CCc1nn(C)c(CC)c1CNC(=O)Nc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] CCc1nn(C)c(CC)c1CNC(=O)Nc1cnn(c1)[*:1]
C[C@@H]1CC=CC[C@H]1COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CC=CC[C@H]1COC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H](C)C2)c1 COCCNS(=O)(=O)[*:1] C[C@H]1CCCN(C1)C(=O)c1cc(ccc1Br)[*:1]
COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H](C)C2)c1 COC[*:1] C[C@H]1CCCN(C1)C(=O)c1cc(ccc1Br)S(=O)(=O)NC[*:1]
COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H](C)C2)c1 COCC[*:1] C[C@H]1CCCN(C1)C(=O)c1cc(ccc1Br)S(=O)(=O)N[*:1]
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](O)C1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@@H](O)C1)[*:1]
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](O)C1 CC(C)(C)OC(=O)N[*:1] O=C([C@H](Cc1ccccc1)[*:1])N1CCC[C@@H](O)C1
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](O)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N[C@@H](C[*:1])C(=O)N1CCC[C@@H](O)C1
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](O)C1 CC(C)(C)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](O)C1)O[*:1]
C[C@H](CCc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)CS2 c1coc(c1)CC[*:1] C[C@H](NC(=O)c1ccc2SCC(=O)Nc2c1)[*:1]
C[C@H](CCc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)CS2 c1coc(c1)[*:1] C[C@H](CC[*:1])NC(=O)c1ccc2SCC(=O)Nc2c1
C[C@H](CCc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)CS2 c1coc(c1)C[*:1] C[C@H](C[*:1])NC(=O)c1ccc2SCC(=O)Nc2c1
O=C(CCC(F)(F)F)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)C[*:1] O=C(CCC(F)(F)F)N(c1ccccn1)[*:1]
O=C(CCC(F)(F)F)N(Cc1ccccc1)c1ccccn1 FC(F)(F)C[*:1] O=C(C[*:1])N(Cc1ccccc1)c1ccccn1
O=C(CCC(F)(F)F)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(CCC(F)(F)F)N(C[*:1])c1ccccn1
O=C(CCC(F)(F)F)N(Cc1ccccc1)c1ccccn1 FC(F)(F)CC[*:1] O=C(N(Cc1ccccc1)c1ccccn1)[*:1]
O=C(CCC(F)(F)F)N(Cc1ccccc1)c1ccccn1 FC(F)(F)[*:1] O=C(CC[*:1])N(Cc1ccccc1)c1ccccn1
O=C(CCC(F)(F)F)N(Cc1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(CCC(F)(F)F)N(Cc1ccccc1)[*:1]
O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] O=C(Cn1nc(oc1=O)[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(Cn1nc(oc1=O)-c1ccc(F)cc1)N1CCC[C@@H]1[*:1]
Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N[*:1]
Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)Nc1ccc(F)cc1 CC(C)C[*:1] Cc1oc2ncn(c(=O)c2c1C(=O)Nc1ccc(F)cc1)[*:1]
Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)Nc1ccc(F)cc1 CC(C)[*:1] Cc1oc2ncn(C[*:1])c(=O)c2c1C(=O)Nc1ccc(F)cc1
CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Oc1ccccc1C#N CCc1ccccc1[*:1] C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC(=O)N[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Oc1ccccc1C#N N#Cc1ccccc1O[*:1] CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Oc1ccccc1C#N N#Cc1ccccc1[*:1] CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)O[*:1]
CCCn1ncnc1C[C@@H]([NH2+]C)[C@@H]1CN(C(C)C)CCO1 CCC[*:1] C[NH2+][C@H](Cc1ncnn1[*:1])[C@@H]1CN(CCO1)C(C)C
CCCn1ncnc1C[C@@H]([NH2+]C)[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] CCCn1ncnc1C[C@@H]([NH2+]C)[C@@H]1CN(CCO1)[*:1]
O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(F)cc1)c1ccc(cc1)NS(=O)(=O)[*:1]
O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccc(Cl)cc1
COc1ccccc1N1CC[NH+](C/C([O-])=N/c2nnc(C3CC3)s2)CC1 COc1ccccc1[*:1] [O-]/C(C[NH+]1CCN(CC1)[*:1])=N\c1nnc(s1)C1CC1
COc1ccccc1N1CC[NH+](C/C([O-])=N/c2nnc(C3CC3)s2)CC1 C1CC1c1nnc(s1)[*:1] COc1ccccc1N1CC[NH+](CC1)CC([O-])=N[*:1]
COc1ccccc1N1CC[NH+](C/C([O-])=N/c2nnc(C3CC3)s2)CC1 C1CC1[*:1] COc1ccccc1N1CC[NH+](CC1)C/C([O-])=N/c1nnc(s1)[*:1]
C[C@@H](CCCl)C[NH2+]C[C@@H]1CSc2ccccc21 ClCC[*:1] C[C@@H](C[NH2+]C[C@@H]1CSc2ccccc21)[*:1]
C[C@@H](CCCl)C[NH2+]C[C@@H]1CSc2ccccc21 C[C@@H](CCCl)[*:1] c1ccc2c(c1)SC[C@H]2C[NH2+]C[*:1]
CC(C)c1nsc(N[C@@H](CO)C(C)C)n1 CC(C)[*:1] CC(C)[C@H](CO)Nc1nc(ns1)[*:1]
CC(C)c1nsc(N[C@@H](CO)C(C)C)n1 CC(C)[*:1] CC(C)c1nsc(n1)N[C@@H](CO)[*:1]
COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1C COc1ccc(Cl)cc1[*:1] C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1C Clc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(n1C)[*:1]
C[NH2+][C@]1(C(=O)OC)CCC[C@H](Sc2nc(C)n[nH]2)C1 COC(=O)[*:1] C[NH2+][C@@]1(CCC[C@@H](C1)Sc1nc(C)n[nH]1)[*:1]
C[NH2+][C@]1(C(=O)OC)CCC[C@H](Sc2nc(C)n[nH]2)C1 Cc1n[nH]c(n1)[*:1] C[NH2+][C@@]1(CCC[C@@H](C1)S[*:1])C(=O)OC
Cc1ccccc1-c1nnc(CS(=O)(=O)c2ccc3ccccc3c2)o1 Cc1ccccc1[*:1] O=S(=O)(Cc1nnc(o1)[*:1])c1ccc2ccccc2c1
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3nc(C)c(C)s3)ccc21 Cc1nc(sc1C)[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)NC[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3nc(C)c(C)s3)ccc21 Cc1nc(C[*:1])sc1C CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)N[*:1]
O=C(NCc1ccccc1F)c1csc(C#CCCO)c1 Fc1ccccc1[*:1] O=C(NC[*:1])c1csc(C#CCCO)c1
O=C(NCc1ccccc1F)c1csc(C#CCCO)c1 OCCC#C[*:1] O=C(NCc1ccccc1F)c1csc(c1)[*:1]
O=C(NCc1ccccc1F)c1csc(C#CCCO)c1 OCC[*:1] O=C(NCc1ccccc1F)c1csc(C#C[*:1])c1
COc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)NNC(=O)[*:1]
CCN(CC1CC1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 C1CC1[*:1] CCN(C[*:1])C(=O)Nc1ccc(cc1)C(=O)NC1CC1
CCN(CC1CC1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] CCN(CC1CC1)C(=O)Nc1ccc(cc1)[*:1]
CCN(CC1CC1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 C1CC1[*:1] CCN(CC1CC1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCN(CC1CC1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 C1CC1C[*:1] CCN(C(=O)Nc1ccc(cc1)C(=O)NC1CC1)[*:1]
O=C(COC(=O)c1ccc(F)c(F)c1)N[C@@H]1CCCc2ccccc21 Fc1ccc(cc1F)[*:1] O=C(COC(=O)[*:1])N[C@@H]1CCCc2ccccc21
CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(Cc3cccc4ccccc34)CC2)cc1 c1ccc2c(cccc2c1)C[*:1] CS(=O)(=O)c1ccc(cc1)-n1nnnc1CN1CCN(CC1)[*:1]
CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(Cc3cccc4ccccc34)CC2)cc1 CS(=O)(=O)[*:1] c1ccc2c(cccc2c1)CN1CCN(CC1)Cc1nnnn1-c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(Cc3cccc4ccccc34)CC2)cc1 c1ccc2c(cccc2c1)[*:1] CS(=O)(=O)c1ccc(cc1)-n1nnnc1CN1CCN(CC1)C[*:1]
CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(Cc3cccc4ccccc34)CC2)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] c1ccc2c(cccc2c1)CN1CCN(CC1)Cc1nnnn1[*:1]
COc1ccc(NC(=O)C(=O)NC2CC2)cc1C C1CC1[*:1] COc1ccc(cc1C)NC(=O)C(=O)N[*:1]
CC(C)Cc1ccc([C@H](NC(=O)[C@@H]2COCCO2)C2CC2)cc1 CC(C)[*:1] O=C(N[C@@H](c1ccc(cc1)C[*:1])C1CC1)[C@@H]1COCCO1
CC(C)Cc1ccc([C@H](NC(=O)[C@@H]2COCCO2)C2CC2)cc1 CC(C)C[*:1] O=C(N[C@@H](c1ccc(cc1)[*:1])C1CC1)[C@@H]1COCCO1
CC(C)Cc1ccc([C@H](NC(=O)[C@@H]2COCCO2)C2CC2)cc1 C1CC1[*:1] CC(C)Cc1ccc(cc1)[C@H](NC(=O)[C@@H]1COCCO1)[*:1]
CCCCOc1ccc(NC(=O)N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)cc1 CCCCO[*:1] O=C(Nc1ccc(cc1)[*:1])N1CC(=O)N2CCc3c(F)cccc3[C@@H]2C1
CCCCOc1ccc(NC(=O)N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)cc1 CCCC[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CC(=O)N2CCc3c(F)cccc3[C@@H]2C1
CCCCOc1ccc(NC(=O)N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)OC[*:1])N1CC(=O)N2CCc3c(F)cccc3[C@@H]2C1
CCCc1nnc(NC(=O)N2CCC(C)CC2)s1 CCC[*:1] CC1CCN(CC1)C(=O)Nc1nnc(s1)[*:1]
CCCC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)OC)CC1 CCC[*:1] COC(=O)c1ccccc1NC(=O)C1CCN(CC1)C(=O)[*:1]
CCCC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)OC)CC1 COC(=O)[*:1] CCCC(=O)N1CCC(CC1)C(=O)Nc1ccccc1[*:1]
C[C@@H]([NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H]([NH2+]C1CCCCCC1)c1ccc(cc1)[*:1]
COC(=O)c1cccc(C(=O)NNC(=O)COc2ccccc2Cl)c1 Clc1ccccc1O[*:1] COC(=O)c1cccc(c1)C(=O)NNC(=O)C[*:1]
COC(=O)c1cccc(C(=O)NNC(=O)COc2ccccc2Cl)c1 Clc1ccccc1[*:1] COC(=O)c1cccc(c1)C(=O)NNC(=O)CO[*:1]
COC(=O)c1cccc(C(=O)NNC(=O)COc2ccccc2Cl)c1 COC(=O)[*:1] O=C(COc1ccccc1Cl)NNC(=O)c1cccc(c1)[*:1]
C[C@@H](NC(=O)CC1(O)CCCCC1)c1nc(-c2ccc(Cl)cc2)no1 OC1(CCCCC1)C[*:1] C[C@@H](NC(=O)[*:1])c1nc(no1)-c1ccc(Cl)cc1
C[C@@H](NC(=O)CC1(O)CCCCC1)c1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)CC1(O)CCCCC1)c1nc(no1)[*:1]
C[C@@H](NC(=O)CC1(O)CCCCC1)c1nc(-c2ccc(Cl)cc2)no1 OC1(CCCCC1)[*:1] C[C@@H](NC(=O)C[*:1])c1nc(no1)-c1ccc(Cl)cc1
O=C([O-])CCS(=O)(=O)[N-]c1c(Cl)cc(Br)cc1Cl O=C([O-])[*:1] O=S(=O)(CC[*:1])[N-]c1c(Cl)cc(Br)cc1Cl
O=C([O-])CCS(=O)(=O)[N-]c1c(Cl)cc(Br)cc1Cl O=C([O-])CC[*:1] O=S(=O)([N-]c1c(Cl)cc(Br)cc1Cl)[*:1]
O=C([O-])CCS(=O)(=O)[N-]c1c(Cl)cc(Br)cc1Cl O=C([O-])C[*:1] O=S(=O)(C[*:1])[N-]c1c(Cl)cc(Br)cc1Cl
NS(=O)(=O)c1ccc(CCNC(=O)NCC2CC2)cc1 C1CC1C[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)N[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)NCC2CC2)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])NCC1CC1
NS(=O)(=O)c1ccc(CCNC(=O)NCC2CC2)cc1 C1CC1[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)NC[*:1]
CCC[NH2+][C@@H](CC)[C@H](C)c1cccc(OC)c1 CCC[*:1] CC[C@H]([NH2+][*:1])[C@H](C)c1cccc(c1)OC
CO[C@@H](C)c1noc(-c2nn(-c3ccccc3)cc2[O-])n1 c1ccc(cc1)[*:1] CO[C@@H](C)c1noc(n1)-c1nn(cc1[O-])[*:1]
CO[C@@H](C)c1noc(-c2nn(-c3ccccc3)cc2[O-])n1 CO[C@@H](C)[*:1] [O-]c1cn(nc1-c1nc(no1)[*:1])-c1ccccc1
CS(=O)(=O)NCCCNC(=O)c1cc2c([nH]c1=O)CCCC2=O CS(=O)(=O)N[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)NCCC[*:1]
CS(=O)(=O)NCCCNC(=O)c1cc2c([nH]c1=O)CCCC2=O CS(=O)(=O)NCC[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)NC[*:1]
CS(=O)(=O)NCCCNC(=O)c1cc2c([nH]c1=O)CCCC2=O CS(=O)(=O)NC[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)NCC[*:1]
CNC(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2C)ccc1Cl CNC(=O)[*:1] Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)c(c1)[*:1]
CC(C)(C)[C@H](OC(=O)CCc1ccsc1)C(F)(F)F c1cc(cs1)C[*:1] CC(C)(C)[C@H](OC(=O)C[*:1])C(F)(F)F
CC(C)(C)[C@H](OC(=O)CCc1ccsc1)C(F)(F)F c1cc(cs1)[*:1] CC(C)(C)[C@H](OC(=O)CC[*:1])C(F)(F)F
CC(C)(C)[C@H](OC(=O)CCc1ccsc1)C(F)(F)F CC(C)(C)[*:1] O=C(CCc1ccsc1)O[C@H](C(F)(F)F)[*:1]
CC(C)(C)[C@H](OC(=O)CCc1ccsc1)C(F)(F)F FC(F)(F)[*:1] CC(C)(C)[C@H](OC(=O)CCc1ccsc1)[*:1]
Cc1ccc2c(c1)=[NH+][C@H](SC[C@@H](O)c1ccccc1)[NH+]=2 c1ccc(cc1)[*:1] Cc1ccc2=[NH+][C@H]([NH+]=c2c1)SC[C@@H](O)[*:1]
COCCNC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(C)cc3)S[C@@H]21 Cc1ccc(cc1)[*:1] COCCNC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(N[*:1])S[C@@H]21
COCCNC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(C)cc3)S[C@@H]21 COC[*:1] Cc1ccc(cc1)NC1=N[C@H]2[C@@H](O)[C@H](O)C[C@H](C(=O)NC[*:1])[C@H]2S1
COCCNC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(C)cc3)S[C@@H]21 COCCNC(=O)[*:1] Cc1ccc(cc1)NC1=N[C@H]2[C@@H](O)[C@H](O)C[C@@H]([C@H]2S1)[*:1]
COCCNC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(C)cc3)S[C@@H]21 COCC[*:1] Cc1ccc(cc1)NC1=N[C@H]2[C@@H](O)[C@H](O)C[C@H](C(=O)N[*:1])[C@H]2S1
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nncs1 CC(C)[*:1] O=C(N[C@H](C(=O)Nc1nncs1)[*:1])c1ccccc1
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nncs1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1nncs1
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nncs1 c1nnc(s1)[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3C)c3ccc(Cl)cc32)cc1 COc1ccc(cc1)C(=O)[*:1] Cc1ccc(CN2C(=O)[C@](O)(C[*:1])c3cc(Cl)ccc32)c(C)c1
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3C)c3ccc(Cl)cc32)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(C[*:1])c2ccc(Cl)cc21
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3C)c3ccc(Cl)cc32)cc1 COc1ccc(cc1)[*:1] Cc1ccc(CN2C(=O)[C@](O)(CC(=O)[*:1])c3cc(Cl)ccc32)c(C)c1
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3C)c3ccc(Cl)cc32)cc1 Cc1ccc(C[*:1])c(C)c1 COc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(c2ccc(Cl)cc21)[*:1]
CCC[NH2+][C@H]1CCC[C@@H](N2CC[C@H]([NH+](C)C)C2)C1 CCC[*:1] C[NH+](C)[C@H]1CCN(C1)[C@@H]1CCC[C@@H](C1)[NH2+][*:1]
CC[NH2+]Cc1cc(F)c(O[C@H](C)C(=O)OC)c(F)c1 COC(=O)[C@@H](C)[*:1] CC[NH2+]Cc1cc(F)c(O[*:1])c(F)c1
CC[NH2+]Cc1cc(F)c(O[C@H](C)C(=O)OC)c(F)c1 COC(=O)[*:1] CC[NH2+]Cc1cc(F)c(O[C@H](C)[*:1])c(F)c1
Cc1ccc(NC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 Cc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[*:1]
Cc1ccc(NC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1)NC(=O)NCc1ccccc1[*:1]
CCCCN(CC(N)=O)S(=O)(=O)c1cccc(C#N)c1 NC(=O)C[*:1] CCCCN(S(=O)(=O)c1cccc(C#N)c1)[*:1]
CCCCN(CC(N)=O)S(=O)(=O)c1cccc(C#N)c1 NC(=O)[*:1] CCCCN(C[*:1])S(=O)(=O)c1cccc(C#N)c1
CCCCN(CC(N)=O)S(=O)(=O)c1cccc(C#N)c1 CCCC[*:1] N#Cc1cccc(c1)S(=O)(=O)N(CC(N)=O)[*:1]
CCCCN(CC(N)=O)S(=O)(=O)c1cccc(C#N)c1 CCC[*:1] N#Cc1cccc(c1)S(=O)(=O)N(CC(N)=O)C[*:1]
Cc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1cccc(Cl)c1
Cc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)n1 Clc1cccc(c1)[*:1] Cc1cccc(n1)NC(=O)c1cc(nc2ccccc12)[*:1]
CC[C@H](C)N(CCOC)c1ncnc(OC)c1N COCC[*:1] CC[C@H](C)N(c1ncnc(OC)c1N)[*:1]
CC[C@H](C)N(CCOC)c1ncnc(OC)c1N CC[C@H](C)[*:1] COCCN(c1ncnc(OC)c1N)[*:1]
CC[C@H](C)N(CCOC)c1ncnc(OC)c1N COC[*:1] CC[C@H](C)N(C[*:1])c1ncnc(OC)c1N
O=C([O-])[C@H]1CCCCN1C(=O)c1nc(C2CC2)n[nH]1 O=C([O-])[*:1] O=C(c1nc(n[nH]1)C1CC1)N1CCCC[C@@H]1[*:1]
O=C([O-])[C@H]1CCCCN1C(=O)c1nc(C2CC2)n[nH]1 C1CC1[*:1] O=C([O-])[C@H]1CCCCN1C(=O)c1nc(n[nH]1)[*:1]
CCCN1CCO[C@H](c2ccc(C)cc2C)C1 CCC[*:1] Cc1ccc(c(C)c1)[C@@H]1CN(CCO1)[*:1]
CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 CSc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 CC[C@H](C)[*:1] CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 CC[C@H](C)NC(=O)[*:1] CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
COCc1cccc(O[C@H]2CC[C@@](C#N)(NC(C)C)C2)c1 CC(C)N[*:1] COCc1cccc(c1)O[C@H]1CC[C@@](C#N)(C1)[*:1]
COCc1cccc(O[C@H]2CC[C@@](C#N)(NC(C)C)C2)c1 CC(C)[*:1] COCc1cccc(c1)O[C@H]1CC[C@](C#N)(C1)N[*:1]
COCc1cccc(O[C@H]2CC[C@@](C#N)(NC(C)C)C2)c1 COC[*:1] CC(C)N[C@]1(C#N)CC[C@@H](C1)Oc1cccc(c1)[*:1]
O=C(NCCN1CCOCC1)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]21 C1CN(CCO1)[*:1] O=C(NCC[*:1])N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]21
COCCN(Cc1ccncc1)S(=O)(=O)c1ccc(F)cc1F c1cc(ccn1)[*:1] COCCN(C[*:1])S(=O)(=O)c1ccc(F)cc1F
COCCN(Cc1ccncc1)S(=O)(=O)c1ccc(F)cc1F COC[*:1] O=S(=O)(c1ccc(F)cc1F)N(Cc1ccncc1)C[*:1]
COCCN(Cc1ccncc1)S(=O)(=O)c1ccc(F)cc1F COCC[*:1] O=S(=O)(c1ccc(F)cc1F)N(Cc1ccncc1)[*:1]
COCCN(Cc1ccncc1)S(=O)(=O)c1ccc(F)cc1F c1cc(ccn1)C[*:1] COCCN(S(=O)(=O)c1ccc(F)cc1F)[*:1]
CC[NH2+][C@@H](C(C)C)[C@H](C)c1cc(C)ccc1C CC(C)[*:1] CC[NH2+][C@@H]([C@H](C)c1cc(C)ccc1C)[*:1]
Cc1cccc(OCCNC(=O)[C@@H](C)N2CCc3c([nH+]cn3C)C2)c1 Cc1cccc(c1)[*:1] C[C@H](C(=O)NCCO[*:1])N1CCc2c(C1)[nH+]cn2C
Cc1cccc(OCCNC(=O)[C@@H](C)N2CCc3c([nH+]cn3C)C2)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)NCC[*:1])N1CCc2c(C1)[nH+]cn2C
COC(=O)c1cc(=O)[nH]c(SC)n1 COC(=O)[*:1] CSc1nc(cc(=O)[nH]1)[*:1]
CNC(=O)c1ccc(N[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(N[C@H]2CCCC[C@H]2C)c(c1)[*:1]
CNC(=O)c1ccc(N[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 CNC(=O)[*:1] C[C@@H]1CCCC[C@@H]1Nc1ccc(cc1[N+](=O)[O-])[*:1]
CCc1ncc(C(=O)N2CCCCC2)c(-c2ccc(OC)cc2)n1 O=C(N1CCCCC1)[*:1] CCc1ncc(c(n1)-c1ccc(cc1)OC)[*:1]
CCc1ncc(C(=O)N2CCCCC2)c(-c2ccc(OC)cc2)n1 COc1ccc(cc1)[*:1] CCc1ncc(C(=O)N2CCCCC2)c(n1)[*:1]
C[C@@H]1SCCC[C@@H]1Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] C[C@@H]1SCCC[C@@H]1Nc1cccc(c1)[*:1]
C[C@@H]1SCCC[C@@H]1Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] C[C@@H]1SCCC[C@@H]1Nc1cccc(c1)C(=O)N[*:1]
COCc1c(C(=O)Nc2cc(C)cc(C)c2)oc2ccccc12 COC[*:1] Cc1cc(C)cc(c1)NC(=O)c1oc2ccccc2c1[*:1]
O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC(c2nc(-c3ncccn3)no2)C1 Clc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CC(C1)c1nc(no1)-c1ncccn1
O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC(c2nc(-c3ncccn3)no2)C1 c1cnc(nc1)[*:1] O=C([C@H]1CC(=O)N(C1)c1ccc(Cl)cc1)N1CC(C1)c1nc(no1)[*:1]
CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)cc1 O=S(=O)(c1ccccc1)[*:1] CCOc1ccc2c(c1)c(=O)c(cn2CC(=O)Nc1ccc(C)cc1)[*:1]
CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)cc1 c1ccc(cc1)[*:1] CCOc1ccc2c(c1)c(=O)c(cn2CC(=O)Nc1ccc(C)cc1)S(=O)(=O)[*:1]
CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc2c(c1)c(=O)c(cn2CC(=O)N[*:1])S(=O)(=O)c1ccccc1
CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)NC(=O)[*:1] CCOc1ccc2c(c1)c(=O)c(cn2C[*:1])S(=O)(=O)c1ccccc1
CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)cc1 CCO[*:1] Cc1ccc(cc1)NC(=O)Cn1cc(c(=O)c2cc(ccc21)[*:1])S(=O)(=O)c1ccccc1
CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)NC(=O)C[*:1] CCOc1ccc2c(c1)c(=O)c(cn2[*:1])S(=O)(=O)c1ccccc1
CCn1c(C)cc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1C Cc1cccc(C)c1[*:1] CCn1c(C)cc(C(=O)N(C)CC(=O)N[*:1])c1C
Cn1ccs/c1=N\C(=O)CSCc1ccncc1 c1cc(ccn1)[*:1] Cn1ccs/c1=N\C(=O)CSC[*:1]
Nc1cnn(-c2ccncc2)c1C1CC1 C1CC1[*:1] Nc1cnn(-c2ccncc2)c1[*:1]
COc1ccc2[nH]c3c(=O)n(CCc4ccccc4OC)cnc3c2c1 COc1ccccc1[*:1] COc1ccc2[nH]c3c(=O)n(cnc3c2c1)CC[*:1]
O=C(NC[C@](O)(c1cccs1)C1CC1)c1cccc([N+](=O)[O-])c1 c1csc(c1)[*:1] O=C(NC[C@](O)(C1CC1)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(NC[C@](O)(c1cccs1)C1CC1)c1cccc([N+](=O)[O-])c1 C1CC1[*:1] O=C(NC[C@](O)(c1cccs1)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(NC[C@](O)(c1cccs1)C1CC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC[C@](O)(c1cccs1)C1CC1)c1cccc(c1)[*:1]
CCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 c1ccc(C[*:1])nc1 CCN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1)[*:1]
CCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1[*:1]
CCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1
Cc1cc2oc(=O)cc(CN3CCC[C@@H](CN4CCOCC4)C3)c2cc1C C1CN(CCO1)[*:1] Cc1cc2oc(=O)cc(CN3CCC[C@H](C3)C[*:1])c2cc1C
Cc1cc2oc(=O)cc(CN3CCC[C@@H](CN4CCOCC4)C3)c2cc1C C1CN(CCO1)C[*:1] Cc1cc2oc(=O)cc(CN3CCC[C@@H](C3)[*:1])c2cc1C
CC[C@@H](Cc1ccccc1)NC(=O)[C@@]1(C)CC1(Cl)Cl c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)[C@@]1(C)CC1(Cl)Cl
Cc1ccc(CNC(=O)c2ncccc2C(F)(F)F)c(C)c1 FC(F)(F)[*:1] Cc1ccc(CNC(=O)c2ncccc2[*:1])c(C)c1
CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] CN(Cc1cnn(c1)-c1ccccc1)S(=O)(=O)c1cccc(c1)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] CN(Cc1cnn(c1)-c1ccccc1)S(=O)(=O)c1cccc(c1)O[*:1]
CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])S(=O)(=O)c1cccc(c1)OC(F)(F)F
Cn1cc(C(N)=O)c(NC(=O)CC2CCC(c3ccccc3)CC2)n1 NC(=O)[*:1] Cn1cc(c(n1)NC(=O)CC1CCC(CC1)c1ccccc1)[*:1]
Cn1cc(C(N)=O)c(NC(=O)CC2CCC(c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cn1cc(C(N)=O)c(n1)NC(=O)CC1CCC(CC1)[*:1]
Cc1ccc(C)c([C@@H](C)N(CC(=O)[O-])CC(F)(F)F)c1 O=C([O-])C[*:1] Cc1ccc(C)c(c1)[C@@H](C)N(CC(F)(F)F)[*:1]
Cc1ccc(C)c([C@@H](C)N(CC(=O)[O-])CC(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(C)c(c1)[C@@H](C)N(CC(=O)[O-])C[*:1]
Cc1ccc(C)c([C@@H](C)N(CC(=O)[O-])CC(F)(F)F)c1 FC(F)(F)C[*:1] Cc1ccc(C)c(c1)[C@@H](C)N(CC(=O)[O-])[*:1]
Cc1ccc(C)c([C@@H](C)N(CC(=O)[O-])CC(F)(F)F)c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)[C@@H](C)N(CC(F)(F)F)C[*:1]
Cc1cc(C)n2c(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)nnc2n1 NC(=O)[*:1] Cc1cc(C)n2c(nnc2n1)SCC(=O)Nc1sc2C[C@H](C)CCc2c1[*:1]
COC(C)(C)c1noc(CCNS(=O)(=O)c2ccccc2)n1 COC(C)(C)[*:1] O=S(=O)(NCCc1nc(no1)[*:1])c1ccccc1
COC(C)(C)c1noc(CCNS(=O)(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] COC(C)(C)c1noc(CCNS(=O)(=O)[*:1])n1
O=C(Nc1nnc(C2=COCCO2)o1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1nnc(o1)C1=COCCO1)c1ccccc1[*:1]
Cc1nn(C)c(C)c1[C@@H](C)NCCc1nc2c(F)cccc2n1C Cc1nn(C)c(C)c1[*:1] C[C@@H](NCCc1nc2c(F)cccc2n1C)[*:1]
CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 CCO[*:1] C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(cc1)[*:1]
COc1ccccc1[C@H]1c2c(oc3c(ccc4ccccc43)c2=O)C(=O)N1CCN1CCOCC1 C1CN(CCO1)[*:1] COc1ccccc1[C@H]1c2c(oc3c(ccc4ccccc43)c2=O)C(=O)N1CC[*:1]
COc1ccccc1[C@H]1c2c(oc3c(ccc4ccccc43)c2=O)C(=O)N1CCN1CCOCC1 C1CN(CCO1)CC[*:1] COc1ccccc1[C@H]1c2c(oc3c(ccc4ccccc43)c2=O)C(=O)N1[*:1]
COc1ccccc1[C@H]1c2c(oc3c(ccc4ccccc43)c2=O)C(=O)N1CCN1CCOCC1 C1CN(CCO1)C[*:1] COc1ccccc1[C@H]1c2c(oc3c(ccc4ccccc43)c2=O)C(=O)N1C[*:1]
COc1ccccc1[C@H]1c2c(oc3c(ccc4ccccc43)c2=O)C(=O)N1CCN1CCOCC1 COc1ccccc1[*:1] O=C1c2oc3c(ccc4ccccc43)c(=O)c2[C@@H](N1CCN1CCOCC1)[*:1]
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 Cc1ccccc1[*:1] O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 C1CC1[*:1] Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1[*:1]
O=C1[C@@H]2CCCC[C@H]2C(=O)N1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C1[C@@H]2CCCC[C@H]2C(=O)N1CN1CCN(CC1)C(c1ccc(F)cc1)[*:1]
Cc1cccc(C(=O)NCCc2nc(-c3ccccn3)cs2)c1O Cc1cccc(c1O)[*:1] O=C(NCCc1nc(cs1)-c1ccccn1)[*:1]
Cc1cccc(C(=O)NCCc2nc(-c3ccccn3)cs2)c1O c1ccc(nc1)[*:1] Cc1cccc(C(=O)NCCc2nc(cs2)[*:1])c1O
Cn1cc[nH+]c1N1CCN(C(=O)C=C2CCSCC2)CC1 C(=C1CCSCC1)[*:1] Cn1cc[nH+]c1N1CCN(CC1)C(=O)[*:1]
CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)[C@@H](C)CNC(=O)C(=O)N[*:1]
CC1=NN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2)[C@@](C)(O)C1 CC(C)C[*:1] CC1C[C@](C)(O)N(N=1)C(=O)[C@@H](NC(=O)c1ccccc1)[*:1]
CC1=NN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2)[C@@](C)(O)C1 CC(C)[*:1] CC1C[C@](C)(O)N(N=1)C(=O)[C@@H](C[*:1])NC(=O)c1ccccc1
CC1=NN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2)[C@@](C)(O)C1 c1ccc(cc1)[*:1] CC1C[C@](C)(O)N(N=1)C(=O)[C@@H](CC(C)C)NC(=O)[*:1]
Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4F)c3)nc2c1 Fc1ccccc1OC[*:1] Cc1ccn2c(=O)cc(COc3cccc(c3)NC(=O)[*:1])nc2c1
Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4F)c3)nc2c1 Fc1ccccc1O[*:1] Cc1ccn2c(=O)cc(COc3cccc(c3)NC(=O)C[*:1])nc2c1
Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4F)c3)nc2c1 Fc1ccccc1[*:1] Cc1ccn2c(=O)cc(COc3cccc(c3)NC(=O)CO[*:1])nc2c1
CC[C@@H](CCO)CNc1nc2ccc(N)cc2s1 OCC[*:1] CC[C@@H](CNc1nc2ccc(N)cc2s1)[*:1]
CC[C@@H](CCO)CNc1nc2ccc(N)cc2s1 CC[C@@H](CCO)[*:1] Nc1ccc2nc(NC[*:1])sc2c1
CCCNC(=O)[C@H](C)[NH2+][C@@H](C)CCC CCC[*:1] CCCNC(=O)[C@H](C)[NH2+][C@@H](C)[*:1]
CCCNC(=O)[C@H](C)[NH2+][C@@H](C)CCC CCC[*:1] CCC[C@H](C)[NH2+][C@@H](C)C(=O)N[*:1]
COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 Brc1ccc(cc1)[*:1] COC(=O)c1ccc(/C=C2/SC(=O)N(C[*:1])C2=O)cc1
COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 Brc1ccc(cc1)C[*:1] COC(=O)c1ccc(/C=C2/SC(=O)N(C2=O)[*:1])cc1
COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 COC(=O)[*:1] O=C1S/C(=C/c2ccc(cc2)[*:1])C(=O)N1Cc1ccc(Br)cc1
O=C(NCCCCn1cc[nH+]c1)NCc1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(NCCCCn1cc[nH+]c1)NC[*:1]
Cn1nccc1C(=O)Nc1nc2ccccc2n1CC[NH+]1CCOCC1 Cn1nccc1[*:1] O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)[*:1]
Cc1ccc(S(=O)(=O)NC2(c3noc(C)n3)CCCCCC2)c(C)c1 Cc1nc(no1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)NC1(CCCCCC1)[*:1]
Cc1ccc(S(=O)(=O)NC2(c3noc(C)n3)CCCCCC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nc(no1)C1(CCCCCC1)NS(=O)(=O)[*:1]
C[C@@](O)(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@](O)(C[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
CCCN(C(=O)c1ccncc1F)C1CCC([NH3+])CC1 CCC[*:1] [NH3+]C1CCC(CC1)N(C(=O)c1ccncc1F)[*:1]
COc1ccc(C(=O)OCC(=O)NCc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)OCC(=O)NC[*:1]
COc1ccc(CN(C)C(=O)NC2CC[NH+](CCN(C)C)CC2)cc1F CN(C)[*:1] COc1ccc(cc1F)CN(C)C(=O)NC1CC[NH+](CC1)CC[*:1]
COc1ccc(CN(C)C(=O)NC2CC[NH+](CCN(C)C)CC2)cc1F CN(C)CC[*:1] COc1ccc(cc1F)CN(C)C(=O)NC1CC[NH+](CC1)[*:1]
COc1ccc(CN(C)C(=O)NC2CC[NH+](CCN(C)C)CC2)cc1F CN(C)C[*:1] COc1ccc(cc1F)CN(C)C(=O)NC1CC[NH+](CC1)C[*:1]
Cc1[nH]c(=O)c(C(=O)OC[C@@H]2C[C@H]2C)cc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(=O)c(cc1[*:1])C(=O)OC[C@@H]1C[C@H]1C
Cc1oc(-c2ccccc2)nc1C[S@@](=O)Cc1nc2ccccc2s1 c1ccc(cc1)[*:1] Cc1oc(nc1C[S@@](=O)Cc1nc2ccccc2s1)[*:1]
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCOCC3)cc2)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](NC(=O)c1ccc(cc1)CN1CCOCC1)[*:1]
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCOCC3)cc2)c1 C1CN(CCO1)C[*:1] Cc1ccc(C)c(c1)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCOCC3)cc2)c1 C1CN(CCO1)[*:1] Cc1ccc(C)c(c1)[C@H](C)NC(=O)c1ccc(cc1)C[*:1]
COc1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2cccc(C)n2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(n1)NC(=O)C(=C[*:1])NC(=O)C(C)(C)C
COc1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2cccc(C)n2)cc1 CC(C)(C)C(=O)N[*:1] COc1ccc(C=C(C(=O)Nc2cccc(C)n2)[*:1])cc1
COc1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2cccc(C)n2)cc1 CC(C)(C)[*:1] COc1ccc(/C=C(/NC(=O)[*:1])C(=O)Nc2cccc(C)n2)cc1
COc1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2cccc(C)n2)cc1 Cc1cccc(n1)[*:1] COc1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)N[*:1])cc1
CC[C@H](C)n1c([C@H](C)CC)nc2cc(C(=O)[O-])ccc21 CC[C@@H](C)[*:1] CC[C@H](C)n1c(nc2cc(ccc21)C(=O)[O-])[*:1]
CC[C@H](C)n1c([C@H](C)CC)nc2cc(C(=O)[O-])ccc21 CC[C@H](C)[*:1] CC[C@@H](C)c1nc2cc(ccc2n1[*:1])C(=O)[O-]
CC[C@H](C)n1c([C@H](C)CC)nc2cc(C(=O)[O-])ccc21 O=C([O-])[*:1] CC[C@H](C)n1c(nc2cc(ccc21)[*:1])[C@H](C)CC
Cc1oc(-c2ccco2)nc1CC(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O c1coc(c1)[*:1] Cc1oc(nc1CC(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O)[*:1]
Cc1oc(-c2ccco2)nc1CC(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1oc(nc1CC(=O)N(C1CC1)[C@H](C)[*:1])-c1ccco1
Cc1oc(-c2ccco2)nc1CC(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] Cc1oc(nc1CC(=O)N(C1CC1)[C@H](C)C[*:1])-c1ccco1
Cc1oc(-c2ccco2)nc1CC(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O C1CC1[*:1] Cc1oc(nc1CC(=O)N([C@H](C)CS(C)(=O)=O)[*:1])-c1ccco1
C#CCOc1ccc(N(C)C(=O)c2cccc(F)c2OCC)cc1 C#CCO[*:1] CCOc1c(F)cccc1C(=O)N(C)c1ccc(cc1)[*:1]
C#CCOc1ccc(N(C)C(=O)c2cccc(F)c2OCC)cc1 CCO[*:1] C#CCOc1ccc(cc1)N(C)C(=O)c1cccc(F)c1[*:1]
C#CCOc1ccc(N(C)C(=O)c2cccc(F)c2OCC)cc1 C#CC[*:1] CCOc1c(F)cccc1C(=O)N(C)c1ccc(cc1)O[*:1]
O=C(N[C@H](CO)c1ccco1)c1cc(F)ccc1Br c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1cc(F)ccc1Br
CC[NH2+][C@H](CCC(C)C)c1cc(C(F)(F)F)ccc1F CC(C)CC[*:1] CC[NH2+][C@H](c1cc(ccc1F)C(F)(F)F)[*:1]
CC[NH2+][C@H](CCC(C)C)c1cc(C(F)(F)F)ccc1F CC(C)C[*:1] CC[NH2+][C@H](C[*:1])c1cc(ccc1F)C(F)(F)F
CC[NH2+][C@H](CCC(C)C)c1cc(C(F)(F)F)ccc1F CC(C)[*:1] CC[NH2+][C@H](CC[*:1])c1cc(ccc1F)C(F)(F)F
CC[NH2+][C@H](CCC(C)C)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CC[NH2+][C@H](CCC(C)C)c1cc(ccc1F)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)NCc2cccc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)CNC(=O)N(C)[C@@H](C)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)NCc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)NC[*:1]
Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)Cc2cc(C#N)ccc2F)cn1 Cn1cc(cn1)[*:1] N#Cc1ccc(F)c(c1)CS(=O)(=O)N1CCC[C@@H]1CC(=O)[*:1]
Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)Cc2cc(C#N)ccc2F)cn1 Cn1cc(cn1)C(=O)[*:1] N#Cc1ccc(F)c(c1)CS(=O)(=O)N1CCC[C@@H]1C[*:1]
Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)Cc2cc(C#N)ccc2F)cn1 N#Cc1ccc(F)c(c1)[*:1] Cn1cc(cn1)C(=O)C[C@H]1CCCN1S(=O)(=O)C[*:1]
Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)Cc2cc(C#N)ccc2F)cn1 Cn1cc(cn1)C(=O)C[*:1] N#Cc1ccc(F)c(c1)CS(=O)(=O)N1CCC[C@@H]1[*:1]
CCN(C(=O)[C@@H](C)SC1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] CCN(C(=O)[C@@H](C)S[*:1])[C@@H]1CCS(=O)(=O)C1
CCN(C(=O)[C@@H](C)SC1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)S[*:1] CCN(C(=O)[C@@H](C)[*:1])[C@@H]1CCS(=O)(=O)C1
CCc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC2CC2)CC1 C1CC1[*:1] CCc1ccccc1NC(=O)[C@H](C)N1CCN(CC1)C(=O)C(=O)N[*:1]
CCc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC2CC2)CC1 CCc1ccccc1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)C(=O)NC1CC1
O=S1(=O)CCC[C@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 Fc1ccc(cc1)[*:1] O=S1(=O)CCC[C@H]1C[NH2+][C@H](C1CCCC1)[*:1]
O=S1(=O)CCC[C@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] O=S1(=O)CCC[C@H]1C[NH2+][C@H](c1ccc(F)cc1)[*:1]
C[C@H](c1ccccc1Cl)N(C(=O)c1cccc(OCC(N)=O)c1)C1CC1 C1CC1[*:1] C[C@H](c1ccccc1Cl)N(C(=O)c1cccc(c1)OCC(N)=O)[*:1]
C[C@H](c1ccccc1Cl)N(C(=O)c1cccc(OCC(N)=O)c1)C1CC1 Clc1ccccc1[*:1] C[C@H](N(C(=O)c1cccc(c1)OCC(N)=O)C1CC1)[*:1]
C[C@H](c1ccccc1Cl)N(C(=O)c1cccc(OCC(N)=O)c1)C1CC1 NC(=O)C[*:1] C[C@H](c1ccccc1Cl)N(C(=O)c1cccc(c1)O[*:1])C1CC1
C[C@H](c1ccccc1Cl)N(C(=O)c1cccc(OCC(N)=O)c1)C1CC1 NC(=O)CO[*:1] C[C@H](c1ccccc1Cl)N(C(=O)c1cccc(c1)[*:1])C1CC1
C[C@H](c1ccccc1Cl)N(C(=O)c1cccc(OCC(N)=O)c1)C1CC1 NC(=O)[*:1] C[C@H](c1ccccc1Cl)N(C(=O)c1cccc(c1)OC[*:1])C1CC1
Cc1ccc(NC(=O)Nc2c(C)n[nH]c2C)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)Nc1c(C)n[nH]c1C
Cc1ccc(NC(=O)Nc2c(C)n[nH]c2C)cc1C(N)=O Cc1n[nH]c(C)c1[*:1] Cc1ccc(cc1C(N)=O)NC(=O)N[*:1]
COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)c1 COC(=O)[*:1] COc1ccc(C(=O)N2CCC[C@H](C2)C(=O)Nc2cc(ccc2C)[*:1])c2ccccc12
COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)c1 COC(=O)c1ccc(C)c(c1)[*:1] COc1ccc(C(=O)N2CCC[C@H](C2)C(=O)N[*:1])c2ccccc12
[NH3+]CCN1CCN(S(=O)(=O)C2CC2)CC1 [NH3+]CC[*:1] O=S(=O)(C1CC1)N1CCN(CC1)[*:1]
[NH3+]CCN1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] [NH3+]CCN1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)Nc2nc3c(OC)ccc(Cl)c3s2)cc1 COc1ccc(cc1)[*:1] COc1ccc(Cl)c2sc(nc12)NS(=O)(=O)[*:1]
NNC(=O)c1cccc(COCC(F)(F)F)c1 FC(F)(F)C[*:1] NNC(=O)c1cccc(c1)CO[*:1]
NNC(=O)c1cccc(COCC(F)(F)F)c1 FC(F)(F)[*:1] NNC(=O)c1cccc(c1)COC[*:1]
NNC(=O)c1cccc(COCC(F)(F)F)c1 NNC(=O)[*:1] FC(F)(F)COCc1cccc(c1)[*:1]
C[C@H]1CCCC[C@H]1N(C)C(=O)CSc1nnc(N2CCOCC2)n1C C1CN(CCO1)[*:1] C[C@H]1CCCC[C@H]1N(C)C(=O)CSc1nnc(n1C)[*:1]
C[C@@H](Sc1cccc2cccnc12)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H](Sc1cccc2cccnc12)C(=O)O[*:1]
CC(C)NC(=O)c1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 CC(C)NC(=O)[*:1] O=C1N(CCCN1c1cccc(c1)[*:1])Cc1ccccc1F
CC(C)NC(=O)c1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 CC(C)[*:1] O=C(N[*:1])c1cccc(c1)N1CCCN(Cc2ccccc2F)C1=O
CC(C)NC(=O)c1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 Fc1ccccc1[*:1] CC(C)NC(=O)c1cccc(c1)N1CCCN(C[*:1])C1=O
CC(C)NC(=O)c1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 Fc1ccccc1C[*:1] CC(C)NC(=O)c1cccc(c1)N1CCCN(C1=O)[*:1]
Cc1ccc(NC(=O)CC(C)(C)C)c(C)c1 CC(C)(C)C[*:1] Cc1ccc(NC(=O)[*:1])c(C)c1
Cc1ccc(NC(=O)CC(C)(C)C)c(C)c1 CC(C)(C)[*:1] Cc1ccc(NC(=O)C[*:1])c(C)c1
C=CCOc1ccccc1[C@@H]1c2c(nc(NCc3ccc4c(c3)OCCCO4)[nH]c2=O)NC(=O)[C@H]1C#N C=CCO[*:1] N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4OCCCOc4c3)[nH]c(=O)c2[C@H]1c1ccccc1[*:1]
C=CCOc1ccccc1[C@@H]1c2c(nc(NCc3ccc4c(c3)OCCCO4)[nH]c2=O)NC(=O)[C@H]1C#N c1cc2OCCCOc2cc1[*:1] C=CCOc1ccccc1[C@@H]1c2c(nc(NC[*:1])[nH]c2=O)NC(=O)[C@H]1C#N
C=CCOc1ccccc1[C@@H]1c2c(nc(NCc3ccc4c(c3)OCCCO4)[nH]c2=O)NC(=O)[C@H]1C#N C=CCOc1ccccc1[*:1] N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4OCCCOc4c3)[nH]c(=O)c2[C@H]1[*:1]
C=CCOc1ccccc1[C@@H]1c2c(nc(NCc3ccc4c(c3)OCCCO4)[nH]c2=O)NC(=O)[C@H]1C#N C=CC[*:1] N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4OCCCOc4c3)[nH]c(=O)c2[C@H]1c1ccccc1O[*:1]
C=CCOc1ccccc1[C@@H]1c2c(nc(NCc3ccc4c(c3)OCCCO4)[nH]c2=O)NC(=O)[C@H]1C#N c1cc2OCCCOc2cc1C[*:1] C=CCOc1ccccc1[C@@H]1c2c(nc(N[*:1])[nH]c2=O)NC(=O)[C@H]1C#N
Cc1ccc(/C=C/C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] C[C@@](NC(=O)C=C[*:1])(C(=O)[O-])C(F)(F)F
Cc1ccc(/C=C/C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(/C=C/C(=O)N[C@](C)(C(=O)[O-])[*:1])cc1
Cn1ccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 O=S(=O)(N1CCOCC1)[*:1] Cn1ccnc1N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cn1ccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 Cn1ccnc1[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCOCC1)N1CCN(CC1)[*:1]
Cc1ccc([C@H]2CCCCN2C(=O)NCc2nnc3n2CCCCC3)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1nnc2CCCCCn21)N1CCCC[C@@H]1[*:1]
CC(=O)Nc1ccc(/C=C/C(=O)NCc2ncc(-c3ccccc3)o2)cc1 CC(=O)N[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NCc1ncc(o1)-c1ccccc1
CC(=O)Nc1ccc(/C=C/C(=O)NCc2ncc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(/C=C/C(=O)NCc2ncc(o2)[*:1])cc1
C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1noc(-c2ccc(Cl)cc2)n1 c1coc(c1)[*:1] C[C@@H](NC(=O)[C@H]1C[C@H]1[*:1])c1noc(n1)-c1ccc(Cl)cc1
C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1noc(n1)[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccc(F)cc1F COC(=O)[*:1] O=C(CCNC(=O)c1ccc(F)cc1F)N[C@H]1CCCC[C@H]1[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)[*:1]
Cc1cc(C)c(C[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)cc1C c1coc(c1)[*:1] Cc1cc(C)c(cc1C)C[NH2+]Cc1ccc(cc1)NC(=O)[*:1]
Cc1cc(C)c(C[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)cc1C O=C(N[*:1])c1ccco1 Cc1cc(C)c(cc1C)C[NH2+]Cc1ccc(cc1)[*:1]
CS[C@H]1CC[C@@H](NC(=O)c2cc(C)ccc2-n2ccnc2)C1 c1cn(cn1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1cc(C)ccc1[*:1]
CSC[C@@H](CCO)Nc1cc[nH+]c2cc(F)ccc12 CSC[*:1] OCC[C@@H](Nc1cc[nH+]c2cc(F)ccc12)[*:1]
CSC[C@@H](CCO)Nc1cc[nH+]c2cc(F)ccc12 OCC[*:1] CSC[C@@H](Nc1cc[nH+]c2cc(F)ccc12)[*:1]
O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Br)cc2)CC1 Clc1ccc(C[*:1])c(Cl)c1 O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(Br)cc1
O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Br)cc2)CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1ccc(Br)cc1
O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1Cl)C1CCN(CC1)C(=O)[*:1]
COc1ccc(COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1F O=[N+]([O-])[*:1] COc1ccc(cc1F)COC(=O)/C=C/c1cccc(c1)[*:1]
Cc1ccsc1-c1cccc(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1 CS(=O)(=O)N[*:1] Cc1ccsc1-c1cccc(c1)NC(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccsc1-c1cccc(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1 Cc1ccsc1[*:1] CS(=O)(=O)N[C@@H]1CCCN(C1)C(=O)Nc1cccc(c1)[*:1]
Cc1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CS3)no1 Cc1cc(no1)[*:1] O=C1CSc2ccc(cc2N1)C(=O)N1CCC[C@@H]1[*:1]
COCCN(CC(F)(F)F)C(=O)[C@H]1C[C@H]1c1ccccc1 FC(F)(F)C[*:1] COCCN(C(=O)[C@H]1C[C@H]1c1ccccc1)[*:1]
COCCN(CC(F)(F)F)C(=O)[C@H]1C[C@H]1c1ccccc1 COC[*:1] O=C([C@H]1C[C@H]1c1ccccc1)N(CC(F)(F)F)C[*:1]
COCCN(CC(F)(F)F)C(=O)[C@H]1C[C@H]1c1ccccc1 FC(F)(F)[*:1] COCCN(C[*:1])C(=O)[C@H]1C[C@H]1c1ccccc1
COCCN(CC(F)(F)F)C(=O)[C@H]1C[C@H]1c1ccccc1 COCC[*:1] O=C([C@H]1C[C@H]1c1ccccc1)N(CC(F)(F)F)[*:1]
COCCN(CC(F)(F)F)C(=O)[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COCCN(CC(F)(F)F)C(=O)[C@H]1C[C@@H]1[*:1]
CCN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1nc2ccccc2c(=O)[nH]1 O=c1[nH]c(nc2ccccc12)[*:1] CCN(CC(=O)N1N=C(C[C@@H]1c1ccco1)c1ccc(Cl)cc1)C[*:1]
CCN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1nc2ccccc2c(=O)[nH]1 c1coc(c1)[*:1] CCN(CC(=O)N1N=C(C[C@H]1[*:1])c1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1
CCN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1nc2ccccc2c(=O)[nH]1 Clc1ccc(cc1)[*:1] CCN(CC(=O)N1N=C(C[C@@H]1c1ccco1)[*:1])Cc1nc2ccccc2c(=O)[nH]1
COc1ccccc1N1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 COc1ccccc1[*:1] O[C@H](COc1ccc2OCOc2c1)CN1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] COc1ccccc1N1CCN(CC1)C[C@H](O)CO[*:1]
C[NH+](C)[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cn1)C1CC1 C1CC1[*:1] C[NH+](C)[C@H](CNc1ccc(cn1)S(=O)(=O)N1CCOCC1)[*:1]
NS(=O)(=O)c1ccc(-n2nc(-c3ccncc3)nc2[C@H]2CCOC2)cc1 NS(=O)(=O)[*:1] c1cc(ccn1)-c1nc([C@H]2CCOC2)n(n1)-c1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(-n2nc(-c3ccncc3)nc2[C@H]2CCOC2)cc1 c1cc(ccn1)[*:1] NS(=O)(=O)c1ccc(cc1)-n1nc(nc1[C@H]1CCOC1)[*:1]
COc1ccc(OC)c(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)c1 c1coc(c1)C[*:1] COc1ccc(OC)c(c1)NC(=O)CN1CC[NH+](CC1)[*:1]
COc1ccc(OC)c(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)c1 c1coc(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)CN1CC[NH+](CC1)C[*:1]
CCOc1cc(Nc2ccc(NC)[nH+]c2)ccc1[N+](=O)[O-] CCO[*:1] CNc1ccc(c[nH+]1)Nc1ccc(c(c1)[*:1])[N+](=O)[O-]
CCOc1cc(Nc2ccc(NC)[nH+]c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1cc(ccc1[*:1])Nc1ccc(NC)[nH+]c1
CCOc1cc(/C=C/C(=O)c2ccc(C)o2)cc(Cl)c1O CCO[*:1] Cc1ccc(o1)C(=O)/C=C/c1cc(Cl)c(O)c(c1)[*:1]
CCOc1cc(/C=C/C(=O)c2ccc(C)o2)cc(Cl)c1O Cc1ccc(o1)[*:1] CCOc1cc(/C=C/C(=O)[*:1])cc(Cl)c1O
C[C@H](C(=O)[O-])[NH+]1CCN(C[C@H]2COc3ccccc32)CC1 O=C([O-])[*:1] C[C@H]([NH+]1CCN(CC1)C[C@H]1COc2ccccc21)[*:1]
O=C(c1ccc(Cl)cc1F)N1CCC(CCc2ccc(O)cc2)CC1 Oc1ccc(cc1)C[*:1] O=C(c1ccc(Cl)cc1F)N1CCC(CC1)C[*:1]
O=C(c1ccc(Cl)cc1F)N1CCC(CCc2ccc(O)cc2)CC1 Fc1cc(Cl)ccc1[*:1] O=C(N1CCC(CCc2ccc(O)cc2)CC1)[*:1]
O=C(c1ccc(Cl)cc1F)N1CCC(CCc2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1F)N1CCC(CC1)CC[*:1]
Cc1ccc(C(=O)NCC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)NC[*:1]
Cc1ccc(C(=O)NCC(C)C)cc1 CC(C)C[*:1] Cc1ccc(cc1)C(=O)N[*:1]
Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC(C)(C)C[C@H](C)O C[C@H](O)C[*:1] Cc1nc(sc1[C@H](C)[NH2+]CC(C)(C)[*:1])-c1ccccc1F
Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC(C)(C)C[C@H](C)O Fc1ccccc1[*:1] Cc1nc(sc1[C@H](C)[NH2+]CC(C)(C)C[C@H](C)O)[*:1]
Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC(C)(C)C[C@H](C)O C[C@H](O)[*:1] Cc1nc(sc1[C@H](C)[NH2+]CC(C)(C)C[*:1])-c1ccccc1F
CC(=O)N[C@@H](C(=O)N1CCCC2(CCCCCC2)C1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)N1CCCC2(CCCCCC2)C1)[*:1]
CC(=O)N[C@@H](C(=O)N1CCCC2(CCCCCC2)C1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)N1CCCC2(CCCCCC2)C1)[*:1]
Cc1cccc(C)c1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 CN(C[*:1])S(C)(=O)=O Cc1cccc(C)c1NC(=O)COc1ccc(cc1)[*:1]
Cc1cccc(C)c1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 CN(S(C)(=O)=O)[*:1] Cc1cccc(C)c1NC(=O)COc1ccc(cc1)C[*:1]
Cc1cccc(C)c1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 Cc1cccc(C)c1[*:1] CN(Cc1ccc(cc1)OCC(=O)N[*:1])S(C)(=O)=O
Cc1ccc2cc(/C=C3\NC(=S)NC3=O)c(N3CCOCC3)[nH+]c2c1 C1CN(CCO1)[*:1] Cc1ccc2cc(/C=C3\NC(=S)NC3=O)c([nH+]c2c1)[*:1]
Cc1ccc2cc(/C=C3\NC(=S)NC3=O)c(N3CCOCC3)[nH+]c2c1 O=C1NC(=S)NC1=C[*:1] Cc1ccc2cc(c([nH+]c2c1)N1CCOCC1)[*:1]
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(C)C)C1=O CC(C)[*:1] CC[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(Cl)cc1
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(C)C)C1=O CC(C)C[*:1] CC[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(Cl)cc1
COc1ccccc1[C@H](NC(=O)[C@H](C)CC1CCCC1)c1ccccn1 C[C@H](CC1CCCC1)[*:1] COc1ccccc1[C@H](NC(=O)[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)[C@H](C)CC1CCCC1)c1ccccn1 C1CCC(C1)[*:1] COc1ccccc1[C@H](NC(=O)[C@H](C)C[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)[C@H](C)CC1CCCC1)c1ccccn1 C1CCC(C1)C[*:1] COc1ccccc1[C@H](NC(=O)[C@H](C)[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)[C@H](C)CC1CCCC1)c1ccccn1 COc1ccccc1[*:1] C[C@H](CC1CCCC1)C(=O)N[C@H](c1ccccn1)[*:1]
COc1ccccc1[C@H](NC(=O)[C@H](C)CC1CCCC1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)[C@H](C)CC1CCCC1)[*:1]
CCOC(=O)c1c(C)oc2c1c(/C=[NH+]/c1cc(C)ccn1)c([O-])c1ccccc12 CCOC(=O)[*:1] Cc1ccnc(c1)/[NH+]=C/c1c([O-])c2ccccc2c2oc(C)c(c12)[*:1]
CCOC(=O)c1c(C)oc2c1c(/C=[NH+]/c1cc(C)ccn1)c([O-])c1ccccc12 Cc1ccnc(c1)[*:1] CCOC(=O)c1c(C)oc2c1c(C=[NH+][*:1])c([O-])c1ccccc12
CC(C)C[C@H](NC(=O)N[C@H](C)C(C)(C)C)C(=O)N1CCC(CO)CC1 CC(C)[*:1] C[C@@H](NC(=O)N[C@@H](C[*:1])C(=O)N1CCC(CO)CC1)C(C)(C)C
CC(C)C[C@H](NC(=O)N[C@H](C)C(C)(C)C)C(=O)N1CCC(CO)CC1 CC(C)C[*:1] C[C@@H](NC(=O)N[C@H](C(=O)N1CCC(CO)CC1)[*:1])C(C)(C)C
CC(C)C[C@H](NC(=O)N[C@H](C)C(C)(C)C)C(=O)N1CCC(CO)CC1 CC(C)(C)[*:1] CC(C)C[C@H](NC(=O)N[C@H](C)[*:1])C(=O)N1CCC(CO)CC1
CC(C)C[C@H](NC(=O)N[C@H](C)C(C)(C)C)C(=O)N1CCC(CO)CC1 C[C@H](C(C)(C)C)[*:1] CC(C)C[C@H](NC(=O)N[*:1])C(=O)N1CCC(CO)CC1
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C)s3)n2)cc1 Cc1ccc(s1)[*:1] COc1ccc(cc1)-c1csc(n1)C(C#N)=C[*:1]
C#CCN(C(=O)Nc1cncc2ccccc12)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(Nc1cncc2ccccc12)N([C@H]1CCS(=O)(=O)C1)[*:1]
COc1cccc(C[C@H](C(=O)[O-])[C@H]2CCCCC[C@@H]2O)c1 O=C([O-])[*:1] COc1cccc(c1)C[C@H]([C@H]1CCCCC[C@@H]1O)[*:1]
CC(C)[C@@H](Sc1nnc(N)s1)C(=O)N[C@@H]1CCCC[C@H]1C CC(C)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Sc1nnc(N)s1)[*:1]
CC(C)[C@@H](Sc1nnc(N)s1)C(=O)N[C@@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@H]1[*:1] CC(C)[C@@H](Sc1nnc(N)s1)C(=O)N[*:1]
CC(C)[C@@H](Sc1nnc(N)s1)C(=O)N[C@@H]1CCCC[C@H]1C Nc1nnc(S[*:1])s1 CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[*:1]
CC(C)[C@@H](Sc1nnc(N)s1)C(=O)N[C@@H]1CCCC[C@H]1C Nc1nnc(s1)[*:1] CC(C)[C@@H](S[*:1])C(=O)N[C@@H]1CCCC[C@H]1C
N#CCN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CCCC1 Clc1ccc(cc1)[*:1] N#CCN(C(=O)Cn1nnc(n1)[*:1])C1CCCC1
N#CCN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CCCC1 C1CCC(C1)[*:1] N#CCN(C(=O)Cn1nnc(n1)-c1ccc(Cl)cc1)[*:1]
N#CCN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CCCC1 N#CC[*:1] O=C(Cn1nnc(n1)-c1ccc(Cl)cc1)N(C1CCCC1)[*:1]
CC(C)n1nccc1NS(=O)(=O)c1cc(Br)ccc1F CC(C)[*:1] O=S(=O)(Nc1ccnn1[*:1])c1cc(Br)ccc1F
Cc1noc([C@@H](C)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)n1 Cc1noc(n1)[*:1] C[C@@H](N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)[*:1]
Cc1noc([C@@H](C)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)n1 Clc1ccc(cc1)[*:1] Cc1noc(n1)[C@@H](C)N[C@H](C[*:1])c1ccccc1
Cc1noc([C@@H](C)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)n1 Clc1ccc(cc1)C[*:1] Cc1noc(n1)[C@@H](C)N[C@H](c1ccccc1)[*:1]
Cc1noc([C@@H](C)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@@H](C)N[C@H](Cc1ccc(Cl)cc1)[*:1]
Cc1ccccc1OCCNC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] Cc1ccccc1OCCNC(=O)[*:1]
Cc1ccccc1OCCNC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] Cc1ccccc1OCCNC(=O)C[*:1]
O=C(Nc1cc(Cl)ccn1)c1cc(N2CCCC2=O)ccc1Cl Clc1ccnc(c1)[*:1] O=C(N[*:1])c1cc(ccc1Cl)N1CCCC1=O
O=C(Nc1cc(Cl)ccn1)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] O=C(Nc1cc(Cl)ccn1)c1cc(ccc1Cl)[*:1]
CC1(C)CCC[C@H]1NC(=O)N1CCN(c2ncccc2C(N)=O)CC1 NC(=O)[*:1] CC1(C)CCC[C@H]1NC(=O)N1CCN(CC1)c1ncccc1[*:1]
C[C@@H]1CCCC[C@H]1C(=O)NCC(=O)[O-] O=C([O-])[*:1] C[C@@H]1CCCC[C@H]1C(=O)NC[*:1]
C[C@@H]1CCCC[C@H]1C(=O)NCC(=O)[O-] O=C([O-])C[*:1] C[C@@H]1CCCC[C@H]1C(=O)N[*:1]
COc1cccc(CN2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c1 FC(F)[*:1] COc1cccc(c1)CN1CCC[C@@H](C1)c1cc(n2ncnc2n1)[*:1]
COc1cccc(CN2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c1 COc1cccc(c1)C[*:1] FC(F)c1cc(nc2ncnn12)[C@H]1CCCN(C1)[*:1]
COc1cccc(CN2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c1 COc1cccc(c1)[*:1] FC(F)c1cc(nc2ncnn12)[C@H]1CCCN(C1)C[*:1]
C#CCNCC(=O)N[C@@H]1CCC[C@H]1C C#CC[*:1] C[C@@H]1CCC[C@H]1NC(=O)CN[*:1]
C#CCNCC(=O)N[C@@H]1CCC[C@H]1C C#CCN[*:1] C[C@@H]1CCC[C@H]1NC(=O)C[*:1]
COC(=O)c1ccccc1NCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O COC(=O)[*:1] O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CNc1ccccc1[*:1]
COC(=O)c1ccccc1NCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] COC(=O)c1ccccc1NCN1C(=O)SC(=C[*:1])C1=O
CC[C@H](O)CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 CC[C@H](O)C[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)[*:1]
CC[C@H](O)CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 CS(=O)(=O)[*:1] CC[C@H](O)CN1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CC[C@H](O)CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 CC[C@H](O)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)C[*:1]
Cc1ccc2[nH+]c(C(F)(F)F)c(C#N)c(N)c2c1 FC(F)(F)[*:1] Cc1ccc2[nH+]c(c(C#N)c(N)c2c1)[*:1]
Cc1ccc2[nH]cc(CCNC(=O)c3ccc(F)cc3)c2c1 Fc1ccc(cc1)[*:1] Cc1ccc2[nH]cc(CCNC(=O)[*:1])c2c1
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])o1)[C@H]1C=C[C@@H]2C12CC2 O=[N+]([O-])[*:1] O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(o1)[*:1])[C@H]1C=C[C@@H]2C12CC2
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])o1)[C@H]1C=C[C@@H]2C12CC2 O=[N+]([O-])c1ccc(o1)[*:1] O=C1[C@@H]2[C@@H](C(=O)N1N=C[*:1])[C@H]1C=C[C@@H]2C12CC2
Cn1ncnc1CCNC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 Cn1ncnc1[*:1] O=C(NCC[*:1])N1CCC(CC1)[C@H](O)c1ccc(F)cc1
Cn1ncnc1CCNC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cn1ncnc1CCNC(=O)N1CCC(CC1)[C@H](O)[*:1]
Cn1ncnc1CCNC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 Cn1ncnc1CC[*:1] O=C(N[*:1])N1CCC(CC1)[C@H](O)c1ccc(F)cc1
Cn1ncnc1CCNC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 Cn1ncnc1C[*:1] O=C(NC[*:1])N1CCC(CC1)[C@H](O)c1ccc(F)cc1
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CC2CCC2)cc1 C=CC[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)CC1CCC1)[*:1]
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CC2CCC2)cc1 C1CC(C1)C[*:1] C=CCN(C)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CC2CCC2)cc1 C1CC(C1)[*:1] C=CCN(C)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1Cl CC(C)(C)[*:1] Cc1ccc(cc1Cl)NC(=O)CNC(=O)O[*:1]
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Nc1cc[nH+]cc1 c1cncc(c1)CN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cc[nH+]cc1
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Nc1cc[nH+]cc1 c1cncc(c1)[*:1] O=[N+]([O-])c1c(ncnc1Nc1cc[nH+]cc1)NC[*:1]
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Nc1cc[nH+]cc1 c1cncc(c1)C[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1cc[nH+]cc1
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Nc1cc[nH+]cc1 O=[N+]([O-])[*:1] c1cncc(c1)CNc1ncnc(Nc2cc[nH+]cc2)c1[*:1]
COc1ccc(-c2noc(-c3cnn(C4CCCCC4)c3)n2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)-c1noc(n1)-c1cnn(c1)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)cc1 c1ccc2CN(CCc2c1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)NC[C@H](c1cccn1C)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)cc1 Cc1ccc(cc1)[*:1] Cn1cccc1[C@@H](CNC(=O)C(=O)N[*:1])N1CCc2ccccc2C1
Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)cc1 Cn1cccc1[*:1] Cc1ccc(cc1)NC(=O)C(=O)NC[C@H](N1CCc2ccccc2C1)[*:1]
O=C(c1cc2ccccc2oc1=O)N(CCc1cccs1)Cc1ccoc1 c1cc(co1)[*:1] O=C(c1cc2ccccc2oc1=O)N(CCc1cccs1)C[*:1]
O=C(c1cc2ccccc2oc1=O)N(CCc1cccs1)Cc1ccoc1 c1csc(c1)C[*:1] O=C(c1cc2ccccc2oc1=O)N(Cc1ccoc1)C[*:1]
O=C(c1cc2ccccc2oc1=O)N(CCc1cccs1)Cc1ccoc1 c1csc(c1)[*:1] O=C(c1cc2ccccc2oc1=O)N(CC[*:1])Cc1ccoc1
O=C(c1cc2ccccc2oc1=O)N(CCc1cccs1)Cc1ccoc1 c1csc(c1)CC[*:1] O=C(c1cc2ccccc2oc1=O)N(Cc1ccoc1)[*:1]
O=C(c1cc2ccccc2oc1=O)N(CCc1cccs1)Cc1ccoc1 c1cc(co1)C[*:1] O=C(c1cc2ccccc2oc1=O)N(CCc1cccs1)[*:1]
CC1(C)CCC(CCCO)(C(=O)[O-])CC1 O=C([O-])[*:1] CC1(C)CCC(CCCO)(CC1)[*:1]
CC1(C)CCC(CCCO)(C(=O)[O-])CC1 OCCC[*:1] CC1(C)CCC(CC1)(C(=O)[O-])[*:1]
CC1(C)CCC(CCCO)(C(=O)[O-])CC1 OCC[*:1] CC1(C)CCC(CC1)(C[*:1])C(=O)[O-]
CC(C)(C)SC[C@@H](O)C[C@@H]1CCCN(S(C)(=O)=O)C1 CC(C)(C)SC[*:1] CS(=O)(=O)N1CCC[C@@H](C[C@H](O)[*:1])C1
CC(C)(C)SC[C@@H](O)C[C@@H]1CCCN(S(C)(=O)=O)C1 CC(C)(C)[*:1] CS(=O)(=O)N1CCC[C@@H](C[C@H](O)CS[*:1])C1
CC(C)(C)SC[C@@H](O)C[C@@H]1CCCN(S(C)(=O)=O)C1 CC(C)(C)S[*:1] CS(=O)(=O)N1CCC[C@@H](C[C@H](O)C[*:1])C1
CC(C)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1C(N)=O CC(C)[*:1] C[C@H](C[*:1])Nc1nc(ccc1C(N)=O)C(F)(F)F
CC(C)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1C(N)=O NC(=O)[*:1] CC(C)C[C@@H](C)Nc1nc(ccc1[*:1])C(F)(F)F
CC(C)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1C(N)=O FC(F)(F)[*:1] CC(C)C[C@@H](C)Nc1nc(ccc1C(N)=O)[*:1]
CC(C)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1C(N)=O CC(C)C[C@@H](C)[*:1] NC(=O)c1ccc(nc1N[*:1])C(F)(F)F
CC(C)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1C(N)=O CC(C)C[*:1] C[C@@H](Nc1nc(ccc1C(N)=O)C(F)(F)F)[*:1]
[NH3+]CCCOC1CCN(C(=O)Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] [NH3+]CCCOC1CCN(CC1)C(=O)C[*:1]
Cc1nc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)sc1C c1ccc(cc1)[*:1] Cc1nc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2[*:1])sc1C
Cc1nc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)sc1C Cc1nc(sc1C)[*:1] CN1C(=O)CO[C@@H](C(=O)N[*:1])[C@@H]1c1ccccc1
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N[C@]1(C)CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=C/C(=O)N[C@]1(C)CCS(=O)(=O)C1)[*:1]
C#CC[NH+](CC(=O)[O-])C1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] C#CC[NH+](CC(=O)[O-])C1CCC(CC1)[*:1]
C#CC[NH+](CC(=O)[O-])C1CCC(c2ccccc2)CC1 O=C([O-])[*:1] C#CC[NH+](C[*:1])C1CCC(CC1)c1ccccc1
CC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1 C1C[C@H](CO1)C[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
CC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1 CC(=O)[*:1] O=S(=O)(NC[C@@H]1CCOC1)c1cccc(c1)[*:1]
CC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)NC[*:1]
CON(C)C(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1 CON(C)C(=O)C[*:1] Clc1ccc(cc1)OCCN1CCN(CC1)[*:1]
CON(C)C(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CON(C)C(=O)CN1CCN(CCO[*:1])CC1
CON(C)C(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1 CON(C)C(=O)[*:1] Clc1ccc(cc1)OCCN1CCN(CC1)C[*:1]
Cc1cc(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c(C)n1[*:1]
Cc1cc(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c(C)n1C1CC1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)CN(C)S(=O)(=O)[*:1])c(C)n1C1CC1
O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)N1CCC(Cc2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(Cn1c(=O)n(C[*:1])c(=O)c2ncccc21)N1CCC(CC1)Cc1ccccc1
O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)N1CCC(CC1)[*:1]
O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)N1CCC(CC1)C[*:1]
O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)N1CCC(Cc2ccccc2)CC1 Fc1ccc(cc1)C[*:1] O=C(Cn1c(=O)n(c(=O)c2ncccc21)[*:1])N1CCC(CC1)Cc1ccccc1
CN(CCc1ccccc1)S(=O)(=O)c1cncc(F)c1 c1ccc(cc1)[*:1] CN(CC[*:1])S(=O)(=O)c1cncc(F)c1
COc1cccc(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)c1F CN(S(C)(=O)=O)[*:1] COc1cccc(C(=O)NCc2ccc(cc2)[*:1])c1F
COC(=O)[C@H](NCc1cccc(OC)c1)c1cccc(C#N)c1 COC(=O)[*:1] COc1cccc(c1)CN[C@H](c1cccc(C#N)c1)[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[NH+](CC(N)=O)CC1 NC(=O)[*:1] Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[NH+](CC1)C[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[NH+](CC(N)=O)CC1 NC(=O)C[*:1] Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC[NH+](CC1)[*:1]
CCN(C(=O)[C@H]1C=C[C@@H]([NH3+])C1)[C@H](C)CC(=O)[O-] O=C([O-])C[*:1] CCN(C(=O)[C@H]1C=C[C@@H]([NH3+])C1)[C@H](C)[*:1]
CCN(C(=O)[C@H]1C=C[C@@H]([NH3+])C1)[C@H](C)CC(=O)[O-] O=C([O-])[*:1] CCN(C(=O)[C@H]1C=C[C@@H]([NH3+])C1)[C@H](C)C[*:1]
O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(I)cc1 O=C([O-])[*:1] O=C(Nc1ccc(I)cc1)[C@H]1C[C@@H]1[*:1]
COCCN(Cc1cccs1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 COC[*:1] O=C(c1cccc(c1)N1C(=O)CCC1=O)N(Cc1cccs1)C[*:1]
COCCN(Cc1cccs1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 COCC[*:1] O=C1CCC(=O)N1c1cccc(c1)C(=O)N(Cc1cccs1)[*:1]
COCCN(Cc1cccs1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 O=C1CCC(=O)N1[*:1] COCCN(Cc1cccs1)C(=O)c1cccc(c1)[*:1]
COCCN(Cc1cccs1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 c1csc(c1)[*:1] COCCN(C[*:1])C(=O)c1cccc(c1)N1C(=O)CCC1=O
COCCN(Cc1cccs1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 c1csc(c1)C[*:1] COCCN(C(=O)c1cccc(c1)N1C(=O)CCC1=O)[*:1]
Cc1ccc(CC/C([O-])=N/S(=O)(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])c1ccccc1
Cc1ccc(CC/C([O-])=N/S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CC/C([O-])=N/S(=O)(=O)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2
O=C(N/N=C/C=C\c1ccccc1[N+](=O)[O-])c1n[nH]c2c1CCc1ccccc1-2 O=[N+]([O-])[*:1] O=C(N/N=C/C=C\c1ccccc1[*:1])c1n[nH]c2-c3ccccc3CCc12
O=C(N/N=C/C=C\c1ccccc1[N+](=O)[O-])c1n[nH]c2c1CCc1ccccc1-2 O=[N+]([O-])c1ccccc1[*:1] O=C(N/N=C/C=C[*:1])c1n[nH]c2-c3ccccc3CCc12
CN(C)C(=O)CN(C(=O)CCC1CCCC1)c1ccccc1 C1CCC(C1)C[*:1] CN(C)C(=O)CN(C(=O)C[*:1])c1ccccc1
CN(C)C(=O)CN(C(=O)CCC1CCCC1)c1ccccc1 C1CCC(C1)[*:1] CN(C)C(=O)CN(C(=O)CC[*:1])c1ccccc1
CN(C)C(=O)CN(C(=O)CCC1CCCC1)c1ccccc1 C1CCC(C1)CC[*:1] CN(C)C(=O)CN(C(=O)[*:1])c1ccccc1
CN(C)C(=O)CN(C(=O)CCC1CCCC1)c1ccccc1 CN(C)C(=O)[*:1] O=C(CCC1CCCC1)N(C[*:1])c1ccccc1
CN(C)C(=O)CN(C(=O)CCC1CCCC1)c1ccccc1 CN(C)C(=O)C[*:1] O=C(CCC1CCCC1)N(c1ccccc1)[*:1]
CN(C)C(=O)CN(C(=O)CCC1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)CN(C(=O)CCC1CCCC1)[*:1]
O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)cc1C(F)(F)F O=[N+]([O-])[*:1] FC(F)(F)c1cc(ccc1[*:1])N1CC[NH+](CC1)C1CC1
O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)cc1C(F)(F)F C1CC1[*:1] O=[N+]([O-])c1ccc(cc1C(F)(F)F)N1CC[NH+](CC1)[*:1]
O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)cc1C(F)(F)F FC(F)(F)[*:1] O=[N+]([O-])c1ccc(cc1[*:1])N1CC[NH+](CC1)C1CC1
CNc1nnc(Sc2cnn(-c3ccccc3)c(=O)c2Cl)s1 CNc1nnc(s1)[*:1] O=c1c(Cl)c(cnn1-c1ccccc1)S[*:1]
CNc1nnc(Sc2cnn(-c3ccccc3)c(=O)c2Cl)s1 c1ccc(cc1)[*:1] CNc1nnc(Sc2cnn(c(=O)c2Cl)[*:1])s1
O=C(Nc1nc(CC(=O)N2CCCC2)cs1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])N1CCCC1
O=C(Nc1nc(CC(=O)N2CCCC2)cs1)c1ccc(Cl)cc1 O=C(N1CCCC1)[*:1] O=C(Nc1nc(cs1)C[*:1])c1ccc(Cl)cc1
Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(CC[*:1])C1
O=C1c2cccc3c([N+](=O)[O-])c([O-])cc(c23)C(=O)N1Nc1ccccc1 O=[N+]([O-])[*:1] O=C1c2cccc3c(c([O-])cc(C(=O)N1Nc1ccccc1)c23)[*:1]
O=C1c2cccc3c([N+](=O)[O-])c([O-])cc(c23)C(=O)N1Nc1ccccc1 c1ccc(cc1)[*:1] O=C1c2cccc3c(c([O-])cc(C(=O)N1N[*:1])c23)[N+](=O)[O-]
CC(C)c1ccccc1NC(=O)C(=O)N(C)Cc1ncnn1C CC(C)[*:1] CN(Cc1ncnn1C)C(=O)C(=O)Nc1ccccc1[*:1]
CC(C)c1ccccc1NC(=O)C(=O)N(C)Cc1ncnn1C Cn1ncnc1[*:1] CC(C)c1ccccc1NC(=O)C(=O)N(C)C[*:1]
CC(C)c1ccccc1NC(=O)C(=O)N(C)Cc1ncnn1C Cn1ncnc1C[*:1] CC(C)c1ccccc1NC(=O)C(=O)N(C)[*:1]
C#CCN(CC(=O)[O-])[C@H](C)c1nc2ccccc2s1 C#CC[*:1] C[C@H](c1nc2ccccc2s1)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])[C@H](C)c1nc2ccccc2s1 O=C([O-])C[*:1] C#CCN([C@H](C)c1nc2ccccc2s1)[*:1]
C#CCN(CC(=O)[O-])[C@H](C)c1nc2ccccc2s1 O=C([O-])[*:1] C#CCN(C[*:1])[C@H](C)c1nc2ccccc2s1
COC(C)(C)CNC(=O)c1ccc(F)cc1F COC(C)(C)[*:1] O=C(NC[*:1])c1ccc(F)cc1F
NC(=O)c1ccccc1[C@@H](N)C(F)(F)F FC(F)(F)[*:1] NC(=O)c1ccccc1[C@@H](N)[*:1]
NC(=O)c1ccccc1[C@@H](N)C(F)(F)F NC(=O)[*:1] N[C@H](c1ccccc1[*:1])C(F)(F)F
CCSc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1ccccn1 c1ccc(nc1)[*:1] CCSc1ccc(Cl)cc1C(=O)[C@@H](C#N)[*:1]
CCSc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1ccccn1 CCS[*:1] N#C[C@H](C(=O)c1cc(Cl)ccc1[*:1])c1ccccn1
O=C(Nc1ccn(Cc2ccccc2)n1)c1cc(Cl)ccc1Cl c1ccc(cc1)C[*:1] O=C(Nc1ccn(n1)[*:1])c1cc(Cl)ccc1Cl
O=C(Nc1ccn(Cc2ccccc2)n1)c1cc(Cl)ccc1Cl c1ccc(cc1)[*:1] O=C(Nc1ccn(C[*:1])n1)c1cc(Cl)ccc1Cl
C[C@H](O)[C@H](C)[NH2+]C1(C(=O)[O-])CC1 C[C@H](O)[*:1] C[C@H]([NH2+]C1(CC1)C(=O)[O-])[*:1]
C[C@H](O)[C@H](C)[NH2+]C1(C(=O)[O-])CC1 O=C([O-])[*:1] C[C@H](O)[C@H](C)[NH2+]C1(CC1)[*:1]
CCc1noc(CC)c1CNC(=O)Nc1cccc(-n2nnnc2C)c1 Cc1nnnn1[*:1] CCc1noc(CC)c1CNC(=O)Nc1cccc(c1)[*:1]
O=C([O-])c1ccc(-c2ccc3ccccc3n2)cc1 O=C([O-])[*:1] c1ccc2nc(ccc2c1)-c1ccc(cc1)[*:1]
COc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 COc1ccccc1[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC1)C(=O)N[*:1]
CCOC(=O)CCN1C(=O)NC2(CCCC2)C1=O CCOC(=O)C[*:1] O=C1NC2(CCCC2)C(=O)N1C[*:1]
CCOC(=O)CCN1C(=O)NC2(CCCC2)C1=O CCOC(=O)[*:1] O=C1NC2(CCCC2)C(=O)N1CC[*:1]
CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 CC(=O)[*:1] N#CC1(C#N)[C@H](c2ccc(F)cc2F)[C@H](N2C=Cc3ccccc3[C@@H]21)[*:1]
CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 Fc1ccc(c(F)c1)[*:1] CC(=O)[C@@H]1[C@@H](C(C#N)(C#N)[C@H]2c3ccccc3C=CN12)[*:1]
NC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1 NC(=O)C[*:1] O=C(N[*:1])c1ccc(cc1)CNC(=O)c1cc(nc2ccccc12)-c1ccc(Cl)s1
NC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1 Clc1ccc(s1)[*:1] NC(=O)CNC(=O)c1ccc(cc1)CNC(=O)c1cc(nc2ccccc12)[*:1]
NC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1 NC(=O)[*:1] O=C(NC[*:1])c1ccc(cc1)CNC(=O)c1cc(nc2ccccc12)-c1ccc(Cl)s1
NC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1 NC(=O)CNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc(nc2ccccc12)-c1ccc(Cl)s1
CCOC(=O)c1cc2c(ccn2C)n1Cc1ccc(Cl)cc1Cl CCOC(=O)[*:1] Cn1ccc2c1cc(n2Cc1ccc(Cl)cc1Cl)[*:1]
CC[C@H](C(=O)NCc1c(C)nn(-c2ccc(F)cc2)c1C)n1cccn1 c1cnn(c1)[*:1] CC[C@H](C(=O)NCc1c(C)nn(-c2ccc(F)cc2)c1C)[*:1]
CC[C@H](C(=O)NCc1c(C)nn(-c2ccc(F)cc2)c1C)n1cccn1 Fc1ccc(cc1)[*:1] CC[C@H](C(=O)NCc1c(C)nn(c1C)[*:1])n1cccn1
c1cncc(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 c1cncc(c1)[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@H]1N[*:1]
Cc1cc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)nc(N)[nH+]1 Fc1ccc(cc1)[*:1] Cc1cc(nc(N)[nH+]1)NC[C@@H]([NH+]1CCCC1)[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccc(Cl)cn1 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)c1ccc(Cl)cn1
NCC#Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cs1 FC(F)(F)[*:1] NCC#Cc1cc(cs1)C(=O)N1CCC[C@@H](C1)[*:1]
NCC#Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cs1 NCC#C[*:1] O=C(c1csc(c1)[*:1])N1CCC[C@H](C1)C(F)(F)F
Cc1c(C(=O)N2CC[C@H](OCCC(C)C)C2)cnn1C CC(C)[*:1] Cc1c(cnn1C)C(=O)N1CC[C@@H](C1)OCC[*:1]
Cc1c(C(=O)N2CC[C@H](OCCC(C)C)C2)cnn1C CC(C)CCO[*:1] Cc1c(cnn1C)C(=O)N1CC[C@H](C1)[*:1]
Cc1c(C(=O)N2CC[C@H](OCCC(C)C)C2)cnn1C CC(C)C[*:1] Cc1c(cnn1C)C(=O)N1CC[C@@H](C1)OC[*:1]
Cc1c(C(=O)N2CC[C@H](OCCC(C)C)C2)cnn1C CC(C)CC[*:1] Cc1c(cnn1C)C(=O)N1CC[C@@H](C1)O[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H]1CCCCC[C@H]1NS(=O)(=O)CCO[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)OCCS(=O)(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] CC(C)OC[*:1] O=C([O-])[C@@H]1CCCCC[C@H]1NS(=O)(=O)C[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] CC(C)O[*:1] O=C([O-])[C@@H]1CCCCC[C@H]1NS(=O)(=O)CC[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] CC(C)OCC[*:1] O=C([O-])[C@@H]1CCCCC[C@H]1NS(=O)(=O)[*:1]
COc1ccccc1-c1nn(-c2ccc(C(F)(F)F)cn2)c(=O)o1 COc1ccccc1[*:1] O=c1oc(nn1-c1ccc(cn1)C(F)(F)F)[*:1]
COc1ccccc1-c1nn(-c2ccc(C(F)(F)F)cn2)c(=O)o1 FC(F)(F)[*:1] COc1ccccc1-c1nn(-c2ccc(cn2)[*:1])c(=O)o1
Cc1cc(NC(=O)CO/N=C/c2ccc(F)cc2)ccc1Br Fc1ccc(cc1)[*:1] Cc1cc(ccc1Br)NC(=O)CON=C[*:1]
C[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1ccc(cc1)[*:1]
Cn1cc(NC(=O)NCC2(c3ccccc3)CCC2)cn1 Cn1cc(cn1)[*:1] O=C(NCC1(CCC1)c1ccccc1)N[*:1]
Cn1cc(NC(=O)NCC2(c3ccccc3)CCC2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)NC(=O)NCC1(CCC1)[*:1]
NC(=O)c1cccc(CNC(=O)Nc2cccc(-c3nccs3)c2)c1 c1csc(n1)[*:1] NC(=O)c1cccc(c1)CNC(=O)Nc1cccc(c1)[*:1]
NC(=O)c1cccc(CNC(=O)Nc2cccc(-c3nccs3)c2)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])Nc1cccc(c1)-c1nccs1
CCC[C@@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 O=C([O-])[*:1] CCC[C@@H](C(=O)N1CC[C@@](C)(C1)[*:1])c1ccccc1
CCC[C@@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 CCC[*:1] C[C@]1(CCN(C1)C(=O)[C@@H](c1ccccc1)[*:1])C(=O)[O-]
CCC[C@@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C(=O)N1CC[C@](C)(C1)C(=O)[O-])[*:1]
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N=c1[nH]c2ccccc2[nH]1 CC(=O)N[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)[C@H](Cc1c[nH]c2ccccc12)[*:1]
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N=c1[nH]c2ccccc2[nH]1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N[C@@H](C[*:1])C(=O)N=c1[nH]c2ccccc2[nH]1
Cc1cccc(Nc2ncnc(OC(C)C)c2N)c1C CC(C)[*:1] Cc1cccc(Nc2ncnc(O[*:1])c2N)c1C
Cc1cccc(Nc2ncnc(OC(C)C)c2N)c1C CC(C)O[*:1] Cc1cccc(Nc2ncnc(c2N)[*:1])c1C
CCc1nn(C)cc1CNC(=O)Cc1c(C)nc2ccccc2c1C CCc1nn(C)cc1[*:1] Cc1nc2ccccc2c(C)c1CC(=O)NC[*:1]
Cc1cccc(N2N=C(C(=O)Oc3ccccc3)CCC2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N1N=C(CCC1=O)C(=O)O[*:1]
Cc1cccc(N2N=C(C(=O)Oc3ccccc3)CCC2=O)c1 Cc1cccc(c1)[*:1] O=C(Oc1ccccc1)C1CCC(=O)N(N=1)[*:1]
COc1c(NC(=O)Nc2ccc(-c3nccs3)cc2)c(C)nn1C c1csc(n1)[*:1] COc1c(NC(=O)Nc2ccc(cc2)[*:1])c(C)nn1C
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)o1 Cc1ccc(o1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)o1 O=[N+]([O-])[*:1] Cc1ccc(o1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
Cc1ccc(-n2c(SCCN3C(=O)c4ccccc4S3(=O)=O)nc3ccccc3c2=O)nc1 Cc1ccc(nc1)[*:1] O=C1c2ccccc2S(=O)(=O)N1CCSc1nc2ccccc2c(=O)n1[*:1]
COC(C)(C)CCC[C@H](C)[C@@H](O)CO OC[C@H](O)[*:1] COC(C)(C)CCC[C@H](C)[*:1]
CCCNc1nccc(-c2cccc3ccccc23)n1 CCCN[*:1] c1ccc2c(cccc2c1)-c1ccnc(n1)[*:1]
CCCNc1nccc(-c2cccc3ccccc23)n1 CCC[*:1] c1ccc2c(cccc2c1)-c1ccnc(n1)N[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CC[NH+](C)CC2)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] C[NH+]1CCN(CC1)c1nc2ccccc2nc1[C@H](C#N)[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CC[NH+](C)CC2)cc1 Cc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)[*:1]
CCOCCCNC(=O)c1oc2ccc(OC)cc2c1C CCO[*:1] COc1ccc2oc(C(=O)NCCC[*:1])c(C)c2c1
CCOCCCNC(=O)c1oc2ccc(OC)cc2c1C CCOC[*:1] COc1ccc2oc(C(=O)NCC[*:1])c(C)c2c1
CCOCCCNC(=O)c1oc2ccc(OC)cc2c1C CCOCC[*:1] COc1ccc2oc(C(=O)NC[*:1])c(C)c2c1
CCOCCCNC(=O)c1oc2ccc(OC)cc2c1C CCOCCC[*:1] COc1ccc2oc(C(=O)N[*:1])c(C)c2c1
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)O[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(c(F)c1)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(O[*:1])c(F)c1
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(OC(F)F)c(F)c1 Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)Nc1ccc(OC(F)F)c(F)c1)[*:1]
COc1cc([C@H]([NH3+])c2ccc(Cl)s2)cc(Cl)c1OC Clc1ccc(s1)[*:1] COc1cc(cc(Cl)c1OC)[C@H]([NH3+])[*:1]
Cc1nc(C[NH2+][C@@H](C(C)C)C2CC2)c(C)s1 CC(C)[*:1] Cc1nc(C[NH2+][C@@H](C2CC2)[*:1])c(C)s1
Cc1nc(C[NH2+][C@@H](C(C)C)C2CC2)c(C)s1 C1CC1[*:1] Cc1nc(C[NH2+][C@@H](C(C)C)[*:1])c(C)s1
Cc1nc(-c2cc(S(=O)(=O)NCCC(C)C)c(C)s2)sc1C CC(C)C[*:1] Cc1nc(sc1C)-c1cc(c(C)s1)S(=O)(=O)NC[*:1]
Cc1nc(-c2cc(S(=O)(=O)NCCC(C)C)c(C)s2)sc1C CC(C)[*:1] Cc1nc(sc1C)-c1cc(c(C)s1)S(=O)(=O)NCC[*:1]
Cc1nc(-c2cc(S(=O)(=O)NCCC(C)C)c(C)s2)sc1C CC(C)CC[*:1] Cc1nc(sc1C)-c1cc(c(C)s1)S(=O)(=O)N[*:1]
Cc1nc(-c2cc(S(=O)(=O)NCCC(C)C)c(C)s2)sc1C Cc1nc(sc1C)[*:1] Cc1sc(cc1S(=O)(=O)NCCC(C)C)[*:1]
Cc1nn(C)c2ncnc(N(C)Cc3cccc(Cl)c3)c12 Clc1cccc(c1)[*:1] Cc1nn(C)c2ncnc(c12)N(C)C[*:1]
CCN(Cc1cccc(F)c1)C(=O)COc1cccc(C(=O)NC)c1 Fc1cccc(c1)C[*:1] CCN(C(=O)COc1cccc(c1)C(=O)NC)[*:1]
CCN(Cc1cccc(F)c1)C(=O)COc1cccc(C(=O)NC)c1 CNC(=O)[*:1] CCN(Cc1cccc(F)c1)C(=O)COc1cccc(c1)[*:1]
CCN(Cc1cccc(F)c1)C(=O)COc1cccc(C(=O)NC)c1 Fc1cccc(c1)[*:1] CCN(C[*:1])C(=O)COc1cccc(c1)C(=O)NC
CCc1nc2sc([C@@H](c3ccc(Cl)cc3)[NH+]3CCN(CC)CC3)c([O-])n2n1 Clc1ccc(cc1)[*:1] CCc1nc2sc(c([O-])n2n1)[C@@H]([NH+]1CCN(CC)CC1)[*:1]
Cc1ccc([C@H](C)CNC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1ccc([C@H](C)CNC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 Cc1ccc(cc1)[C@H](C)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)NC[*:1]
Cc1ccc([C@H](C)CNC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] Cc1ccc(cc1)[C@H](C)CNC(=O)NC[C@@H]1CCCN(C1)[*:1]
COc1ccc(OC)c([C@@H](c2nnnn2C(C)(C)C)N2CCC(C(N)=O)CC2)c1 NC(=O)[*:1] COc1ccc(OC)c(c1)[C@@H](c1nnnn1C(C)(C)C)N1CCC(CC1)[*:1]
COc1ccc(OC)c([C@@H](c2nnnn2C(C)(C)C)N2CCC(C(N)=O)CC2)c1 CC(C)(C)n1nnnc1[*:1] COc1ccc(OC)c(c1)[C@@H](N1CCC(CC1)C(N)=O)[*:1]
COc1ccc(OC)c([C@@H](c2nnnn2C(C)(C)C)N2CCC(C(N)=O)CC2)c1 CC(C)(C)[*:1] COc1ccc(OC)c(c1)[C@@H](c1nnnn1[*:1])N1CCC(CC1)C(N)=O
COc1ccc(OC)c([C@@H](c2nnnn2C(C)(C)C)N2CCC(C(N)=O)CC2)c1 NC(=O)C1CCN(CC1)[*:1] COc1ccc(OC)c(c1)[C@@H](c1nnnn1C(C)(C)C)[*:1]
COCCOCCC1(C(C)C)C[NH2+]C1 COC[*:1] CC(C)C1(CCOC[*:1])C[NH2+]C1
COCCOCCC1(C(C)C)C[NH2+]C1 CC(C)[*:1] COCCOCCC1(C[NH2+]C1)[*:1]
COCCOCCC1(C(C)C)C[NH2+]C1 COCC[*:1] CC(C)C1(CCO[*:1])C[NH2+]C1
CC(C)COc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 CC(C)[*:1] O=C(NCC[NH+]1CCCCC1)c1ccc(cc1)OC[*:1]
CC(C)COc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 CC(C)C[*:1] O=C(NCC[NH+]1CCCCC1)c1ccc(cc1)O[*:1]
CC(C)COc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 CC(C)CO[*:1] O=C(NCC[NH+]1CCCCC1)c1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)/C(=N\NC(C)(C)C)[C@@H]2C(=O)Nc3ccccc3[S@]2=O)cc1 CCOc1ccc(cc1)[*:1] CC(C)(C)N/N=C(\C(=O)N[*:1])[C@@H]1C(=O)Nc2ccccc2[S@]1=O
CCOc1ccc(NC(=O)/C(=N\NC(C)(C)C)[C@@H]2C(=O)Nc3ccccc3[S@]2=O)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)NC(=O)/C(=N\N[*:1])[C@@H]1C(=O)Nc2ccccc2[S@]1=O
CCOc1ccc(NC(=O)/C(=N\NC(C)(C)C)[C@@H]2C(=O)Nc3ccccc3[S@]2=O)cc1 CCO[*:1] CC(C)(C)N/N=C(\C(=O)Nc1ccc(cc1)[*:1])[C@@H]1C(=O)Nc2ccccc2[S@]1=O
CCOC(=O)c1c(NC(=O)c2nn(CC)cc2Br)sc(C)c1C CCOC(=O)[*:1] CCn1cc(Br)c(n1)C(=O)Nc1sc(C)c(C)c1[*:1]
Cc1ccc(-c2nc3ccccc3c(=O)n2CS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc2ccccc2c(=O)n1CS(=O)(=O)[*:1]
Cc1ccc(-c2nc3ccccc3c(=O)n2CS(=O)(=O)c2ccccc2)cc1 O=S(=O)(c1ccccc1)[*:1] Cc1ccc(cc1)-c1nc2ccccc2c(=O)n1C[*:1]
Cc1ccc(-c2nc3ccccc3c(=O)n2CS(=O)(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=c1c2ccccc2nc(n1CS(=O)(=O)c1ccccc1)[*:1]
C[NH+](CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCC1 C1CCC(C1)[*:1] C[NH+](CCNC(=O)NC1CCN(CC1)c1cccc[nH+]1)[*:1]
C[NH+](CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCC1 c1ccc([nH+]c1)[*:1] C[NH+](CCNC(=O)NC1CCN(CC1)[*:1])C1CCCC1
O=C1CC[C@@H](C(=O)N2CCCCC[C@H]2c2ccccc2)O1 c1ccc(cc1)[*:1] O=C1CC[C@H](O1)C(=O)N1CCCCC[C@@H]1[*:1]
O=C(NCc1ccco1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NCc1ccco1)[C@H](C1CCCC1)N1CCN(CC1)C(=O)[*:1]
O=C(NCc1ccco1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 O=C(NCc1ccco1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)[C@@H](C1CCCC1)[*:1]
O=C(NCc1ccco1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H](C1CCCC1)N1CCN(CC1)C(=O)c1cccc(c1)[N+](=O)[O-]
O=C(NCc1ccco1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] O=C(NCc1ccco1)[C@H](C1CCCC1)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
O=C(NCc1ccco1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H](C1CCCC1)N1CCN(CC1)C(=O)c1cccc(c1)[N+](=O)[O-]
O=C(NCc1ccco1)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 C1CCC(C1)[*:1] O=C(NCc1ccco1)[C@H](N1CCN(CC1)C(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
CC(C)c1nc(CC(=O)N(C2CCC(O)CC2)S(C)(=O)=O)cs1 OC1CCC(CC1)[*:1] CC(C)c1nc(cs1)CC(=O)N(S(C)(=O)=O)[*:1]
CC(C)c1nc(CC(=O)N(C2CCC(O)CC2)S(C)(=O)=O)cs1 CC(C)[*:1] CS(=O)(=O)N(C(=O)Cc1csc(n1)[*:1])C1CCC(O)CC1
CC(C)n1c[nH+]cc1CN1C[C@@H](C)C[C@H]([NH3+])C1 CC(C)[*:1] C[C@H]1C[C@H]([NH3+])CN(Cc2c[nH+]cn2[*:1])C1
C[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)C(N)=O c1ccn(c1)[*:1] C[C@@H](NC(=O)Cc1ccc(cc1)[*:1])C(N)=O
C[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)Cc1ccc(cc1)-n1cccc1)[*:1]
C[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)C(N)=O C[C@@H](C(N)=O)[*:1] O=C(Cc1ccc(cc1)-n1cccc1)N[*:1]
COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N[*:1]
COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)c(OC)c1 c1ccc(nc1)[*:1] COc1ccc(NC(=O)CSc2ccc3nnc(n3n2)[*:1])c(c1)OC
CCNC(=O)c1ccc(NCC(=O)Nc2cccc(NC(C)=O)c2)cc1 CCNC(=O)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CNc1ccc(cc1)[*:1]
CCNC(=O)c1ccc(NCC(=O)Nc2cccc(NC(C)=O)c2)cc1 CC(=O)N[*:1] CCNC(=O)c1ccc(cc1)NCC(=O)Nc1cccc(c1)[*:1]
COc1ccccc1NC(=O)N(Cc1ccc(C)cc1)C[C@H]1CCCO1 COc1ccccc1[*:1] Cc1ccc(cc1)CN(C[C@H]1CCCO1)C(=O)N[*:1]
COc1ccccc1NC(=O)N(Cc1ccc(C)cc1)C[C@H]1CCCO1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)N(C[C@H]1CCCO1)C[*:1]
COc1ccccc1NC(=O)N(Cc1ccc(C)cc1)C[C@H]1CCCO1 Cc1ccc(cc1)C[*:1] COc1ccccc1NC(=O)N(C[C@H]1CCCO1)[*:1]
C[C@H]1C[C@@H]1NC(=O)c1cccc(SCC#N)c1 N#CC[*:1] C[C@H]1C[C@@H]1NC(=O)c1cccc(c1)S[*:1]
C[C@H]1C[C@@H]1NC(=O)c1cccc(SCC#N)c1 N#CCS[*:1] C[C@H]1C[C@@H]1NC(=O)c1cccc(c1)[*:1]
C[C@H]1C[C@@H]1NC(=O)c1cccc(SCC#N)c1 C[C@H]1C[C@H]1[*:1] N#CCSc1cccc(c1)C(=O)N[*:1]
CC(C)c1cc(NC(=O)c2ccnc(OC(C)(C)C)c2)no1 CC(C)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)Nc1cc(on1)[*:1]
CC(C)c1cc(NC(=O)c2ccnc(OC(C)(C)C)c2)no1 CC(C)(C)[*:1] CC(C)c1cc(no1)NC(=O)c1ccnc(c1)O[*:1]
CC(C)c1cc(NC(=O)c2ccnc(OC(C)(C)C)c2)no1 CC(C)(C)O[*:1] CC(C)c1cc(no1)NC(=O)c1ccnc(c1)[*:1]
O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 c1nnnn1[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1)c1cccc2ccccc12
O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 c1ccc2c(cccc2c1)[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)[C@H]1CC(=O)N(C1)[*:1]
S=C1OCCN1CN1CC[NH+](Cc2ccccc2)CC1 S=C1OCCN1[*:1] c1ccc(cc1)C[NH+]1CCN(CC1)C[*:1]
S=C1OCCN1CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] S=C1OCCN1CN1CC[NH+](CC1)C[*:1]
CCC[C@H]1CN(C(=O)c2ccccc2OCCOC)CCO1 COCCO[*:1] CCC[C@H]1CN(CCO1)C(=O)c1ccccc1[*:1]
CCC[C@H]1CN(C(=O)c2ccccc2OCCOC)CCO1 COCC[*:1] CCC[C@H]1CN(CCO1)C(=O)c1ccccc1O[*:1]
CCC[C@H]1CN(C(=O)c2ccccc2OCCOC)CCO1 COC[*:1] CCC[C@H]1CN(CCO1)C(=O)c1ccccc1OC[*:1]
CCC[C@H]1CN(C(=O)c2ccccc2OCCOC)CCO1 CCC[*:1] COCCOc1ccccc1C(=O)N1CCO[C@H](C1)[*:1]
O=C(NC1CCCCCC1)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 C1CCCC(CC1)[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1
Cc1ccc(-c2nc(NC(=O)c3ccoc3C)sc2C)cc1C Cc1occc1[*:1] Cc1ccc(cc1C)-c1nc(NC(=O)[*:1])sc1C
Cc1cc(C)n(CCC(=O)N2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)c(=O)n1 Cc1cc(C)n(c(=O)n1)[*:1] Cc1cc2ncc3c(C[C@@H]4CC[C@H]3N4C(=O)CC[*:1])n2n1
COc1ccccc1CNC(=O)[C@H](C)N1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O COc1ccccc1C[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O
COc1ccccc1CNC(=O)[C@H](C)N1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O COc1ccccc1[*:1] C[C@@H](C(=O)NC[*:1])N1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O
Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc(O)cc1O Clc1ccccc1[*:1] Cn1c(CO[*:1])nnc1SCC(=O)c1ccc(O)cc1O
Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc(O)cc1O Oc1ccc(c(O)c1)[*:1] Cn1c(COc2ccccc2Cl)nnc1SCC(=O)[*:1]
Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc(O)cc1O Clc1ccccc1O[*:1] Cn1c(C[*:1])nnc1SCC(=O)c1ccc(O)cc1O
Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc(O)cc1O Clc1ccccc1OC[*:1] Cn1c(nnc1[*:1])SCC(=O)c1ccc(O)cc1O
COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc(OC)c1OC Cc1ccc(nc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
Cc1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] CN(Cc1nc(no1)-c1ccccc1)C(=O)CO[*:1]
Cc1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)c(Br)c1 c1ccc(cc1)[*:1] Cc1ccc(OCC(=O)N(C)Cc2nc(no2)[*:1])c(Br)c1
CC[NH+](CC)C(C)(C)C(=O)COC(C)C CC(C)OC[*:1] CC[NH+](CC)C(C)(C)C(=O)[*:1]
CC[NH+](CC)C(C)(C)C(=O)COC(C)C CC(C)[*:1] CC[NH+](CC)C(C)(C)C(=O)CO[*:1]
CC[NH+](CC)C(C)(C)C(=O)COC(C)C CC(C)O[*:1] CC[NH+](CC)C(C)(C)C(=O)C[*:1]
COC(=O)/C=C/C=C/C=C(\C)C(=O)OC COC(=O)[*:1] COC(=O)/C=C/C=C/C=C(C)[*:1]
COC(=O)/C=C/C=C/C=C(\C)C(=O)OC COC(=O)[*:1] COC(=O)/C(C)=C/C=C/C=C[*:1]
CC[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)[*:1]
CC[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1cccs1 O=C([O-])[*:1] CC[C@H](NC(=O)N1CCO[C@H](C1)C[*:1])c1cccs1
CC[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1cccs1 O=C([O-])C[*:1] CC[C@H](NC(=O)N1CCO[C@@H](C1)[*:1])c1cccs1
O=c1/c(=C/c2cccnc2)sc2n1CN(c1cccc(C(F)(F)F)c1)CN=2 FC(F)(F)[*:1] O=c1/c(=C/c2cccnc2)sc2=NCN(Cn21)c1cccc(c1)[*:1]
O=c1/c(=C/c2cccnc2)sc2n1CN(c1cccc(C(F)(F)F)c1)CN=2 c1cncc(c1)[*:1] O=c1c(=C[*:1])sc2=NCN(Cn21)c1cccc(c1)C(F)(F)F
Cc1cc(-c2csc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)c(C)s1 c1cc2OCOc2cc1[*:1] Cc1cc(-c2csc(n2)NC(=O)CNC(=O)[*:1])c(C)s1
Cc1cc(-c2csc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CNC(=O)c1ccc2OCOc2c1)Nc1nc(cs1)[*:1]
C[C@]1(NNC(=O)NCc2ccccc2)CCS(=O)(=O)C1 c1ccc(cc1)[*:1] C[C@@]1(CCS(=O)(=O)C1)NNC(=O)NC[*:1]
CC[NH2+][C@H](c1ncccc1C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 Cc1cccnc1[*:1] CC[NH2+][C@H]([C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC[NH2+][C@H](c1ncccc1C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[NH2+][C@H](c1ncccc1C)[C@H]1CCC[C@H](C1)[*:1]
COc1ccc(-n2ncc3c(SCC(=O)Nc4cc(C)cc(C)c4)ncnc32)cc1 Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1)-n1ncc2c(ncnc21)SCC(=O)N[*:1]
COc1ccc(-n2ncc3c(SCC(=O)Nc4cc(C)cc(C)c4)ncnc32)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1ncnc2c1cnn2[*:1]
CC(C)[C@H](C)NC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 c1ccc(cc1)C[*:1] CC(C)[C@H](C)NC(=O)N[C@H](C)c1nc(no1)[*:1]
CC(C)[C@H](C)NC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 CC(C)[*:1] C[C@H](NC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1)[*:1]
CC(C)[C@H](C)NC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 CC(C)[C@H](C)[*:1] C[C@@H](NC(=O)N[*:1])c1nc(Cc2ccccc2)no1
CC(C)[C@H](C)NC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)[C@H](C)NC(=O)N[C@H](C)c1nc(C[*:1])no1
CC(C)c1nc(NC(=O)NCc2nccn2C(F)F)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)NCc1nccn1C(F)F)[*:1]
CC(C)c1nc(NC(=O)NCc2nccn2C(F)F)n(C)n1 FC(F)[*:1] CC(C)c1nc(NC(=O)NCc2nccn2[*:1])n(C)n1
CC(C)S[C@H](C[NH3+])c1cccc(Cl)c1 CC(C)[*:1] [NH3+]C[C@@H](S[*:1])c1cccc(Cl)c1
CC(C)S[C@H](C[NH3+])c1cccc(Cl)c1 CC(C)S[*:1] [NH3+]C[C@H](c1cccc(Cl)c1)[*:1]
O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)OCC(=O)[*:1]
CC(=O)N(c1nc(CSc2ncn[nH]2)cs1)c1c(C)cc(C)cc1C c1n[nH]c(n1)[*:1] CC(=O)N(c1nc(cs1)CS[*:1])c1c(C)cc(C)cc1C
CC(=O)N(c1nc(CSc2ncn[nH]2)cs1)c1c(C)cc(C)cc1C c1n[nH]c(n1)SC[*:1] CC(=O)N(c1nc(cs1)[*:1])c1c(C)cc(C)cc1C
CC(=O)N(c1nc(CSc2ncn[nH]2)cs1)c1c(C)cc(C)cc1C c1n[nH]c(n1)S[*:1] CC(=O)N(c1nc(cs1)C[*:1])c1c(C)cc(C)cc1C
OCCOc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1 Clc1ccc(cc1)[*:1] OCCOc1cccc(c1)CN1CCC[C@@H](C1)c1n[nH]cc1[*:1]
OCCOc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1 OCCO[*:1] Clc1ccc(cc1)-c1c[nH]nc1[C@H]1CCCN(Cc2cccc(c2)[*:1])C1
OCCOc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1 OCC[*:1] Clc1ccc(cc1)-c1c[nH]nc1[C@H]1CCCN(Cc2cccc(c2)O[*:1])C1
Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)N[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Nc1ccc2c(c1)OCO2 Clc1ccccc1C[*:1] Cc1nn(c(C)c1CN(C)C(=O)Nc1ccc2OCOc2c1)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Nc1ccc2c(c1)OCO2 Clc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1CN(C)C(=O)Nc1ccc2OCOc2c1
CC(C)(C)OC(=O)N1CCC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](C1)Nc1[nH]c2ccccc2[nH+]1
CC(C)N(C(=O)[C@H](C)c1ccsc1)c1cccc(C#N)c1 CC(C)[*:1] C[C@@H](C(=O)N(c1cccc(C#N)c1)[*:1])c1ccsc1
CC(C)N(C(=O)[C@H](C)c1ccsc1)c1cccc(C#N)c1 c1cc(cs1)[*:1] CC(C)N(C(=O)[C@H](C)[*:1])c1cccc(C#N)c1
CCS[C@H]1CC[C@@H](NC(=O)c2ncccc2C(F)(F)F)C1 FC(F)(F)[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)c1ncccc1[*:1]
CCS[C@H]1CC[C@@H](NC(=O)c2ncccc2C(F)(F)F)C1 CCS[*:1] O=C(N[C@@H]1CC[C@@H](C1)[*:1])c1ncccc1C(F)(F)F
C[C@H]1Cc2cc(C[NH2+]Cc3cc(-c4ccc(F)cc4)c[nH]c3=O)ccc2O1 Fc1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2O1)C[NH2+]Cc1cc(c[nH]c1=O)[*:1]
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cc(-c2ccco2)nn1-c1ccccc1 c1coc(c1)[*:1] O=C(Nc1cc(ccc1O)S(=O)(=O)N1CCCC1)c1cc(nn1-c1ccccc1)[*:1]
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cc(-c2ccco2)nn1-c1ccccc1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1cc(ccc1O)[*:1])c1cc(nn1-c1ccccc1)-c1ccco1
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cc(-c2ccco2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cc(ccc1O)S(=O)(=O)N1CCCC1)c1cc(nn1[*:1])-c1ccco1
CC(=O)Nc1ccc(C)c(NC(=O)NC(C2CC2)C2CC2)c1 C1CC1C(C1CC1)[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)N[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)NC(C2CC2)C2CC2)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)NC(C1CC1)C1CC1)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)NC(C2CC2)C2CC2)c1 C1CC1[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)NC(C1CC1)[*:1]
CC[C@@H](C)C(=O)CN1C(=O)NC2(CCOCC2)C1=O CC[C@@H](C)C(=O)[*:1] O=C1NC2(CCOCC2)C(=O)N1C[*:1]
CC[C@@H](C)C(=O)CN1C(=O)NC2(CCOCC2)C1=O CC[C@@H](C)[*:1] O=C1NC2(CCOCC2)C(=O)N1CC(=O)[*:1]
O=S(=O)(NCCCn1cncn1)c1cc(Cl)cc(Cl)c1 c1ncn(C[*:1])n1 O=S(=O)(NCC[*:1])c1cc(Cl)cc(Cl)c1
O=S(=O)(NCCCn1cncn1)c1cc(Cl)cc(Cl)c1 c1ncn(n1)[*:1] O=S(=O)(NCCC[*:1])c1cc(Cl)cc(Cl)c1
Cc1nc(Br)ccc1NC(=O)NCCCC(=O)NC1CC1 C1CC1[*:1] Cc1nc(Br)ccc1NC(=O)NCCCC(=O)N[*:1]
Cc1nc(Br)ccc1NC(=O)NCCCC(=O)NC1CC1 O=C(C[*:1])NC1CC1 Cc1nc(Br)ccc1NC(=O)NCC[*:1]
Cc1nc(Br)ccc1NC(=O)NCCCC(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1nc(Br)ccc1NC(=O)NCCC[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)c1c[nH]nc1[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)/C=C/c1ccc2c(c1)CCO2 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)/C=C/c1ccc2OCCc2c1
C[C@@H](Cc1cccs1)N(C)C(=O)/C=C/c1ccc2c(c1)CCO2 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)/C=C/c1ccc2OCCc2c1)[*:1]
CN(C)c1nc(N)nc(C[NH+](C)C2CCC2)n1 C1CC(C1)[*:1] CN(C)c1nc(N)nc(C[NH+](C)[*:1])n1
CN(C)c1nc(N)nc(C[NH+](C)C2CCC2)n1 CN(C)[*:1] C[NH+](Cc1nc(N)nc(n1)[*:1])C1CCC1
CC(C)n1cnnc1SCC(=O)Nc1c(O)cccc1F CC(C)[*:1] O=C(CSc1nncn1[*:1])Nc1c(O)cccc1F
COc1ccc(-c2cc3nc(C)c(C)c(NCCN4CCOCC4)n3n2)cc1 COc1ccc(cc1)[*:1] Cc1nc2cc(nn2c(NCCN2CCOCC2)c1C)[*:1]
COc1ccc(-c2cc3nc(C)c(C)c(NCCN4CCOCC4)n3n2)cc1 C1CN(CCO1)CC[*:1] COc1ccc(cc1)-c1cc2nc(C)c(C)c(N[*:1])n2n1
COc1ccc(-c2cc3nc(C)c(C)c(NCCN4CCOCC4)n3n2)cc1 C(CN1CCOCC1)N[*:1] COc1ccc(cc1)-c1cc2nc(C)c(C)c(n2n1)[*:1]
COc1ccc(-c2cc3nc(C)c(C)c(NCCN4CCOCC4)n3n2)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)-c1cc2nc(C)c(C)c(NC[*:1])n2n1
COc1ccc(-c2cc3nc(C)c(C)c(NCCN4CCOCC4)n3n2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)-c1cc2nc(C)c(C)c(NCC[*:1])n2n1
CC(C)[NH+]1CCCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 CC(C)[*:1] CC(C)(C)n1nc(cc1C1CC1)C(=O)N1CCC[NH+](CC1)[*:1]
CC(C)[NH+]1CCCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 CC(C)(C)[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)c1cc(C2CC2)n(n1)[*:1]
CC(C)[NH+]1CCCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 C1CC1[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)c1cc(n(n1)C(C)(C)C)[*:1]
Cn1cc([C@H]2CN(Cc3ccc(-c4ccccc4Cl)o3)CCO2)cn1 Clc1ccccc1[*:1] Cn1cc(cn1)[C@H]1CN(CCO1)Cc1ccc(o1)[*:1]
Cn1cc([C@H]2CN(Cc3ccc(-c4ccccc4Cl)o3)CCO2)cn1 Cn1cc(cn1)[*:1] Clc1ccccc1-c1ccc(CN2CCO[C@H](C2)[*:1])o1
CC[C@H]1CC[C@@H](NS(=O)(=O)C[C@@H](C)CCl)[C@@H]1C C[C@@H](CCl)C[*:1] CC[C@H]1CC[C@@H](NS(=O)(=O)[*:1])[C@@H]1C
CC[C@H]1CC[C@@H](NS(=O)(=O)C[C@@H](C)CCl)[C@@H]1C C[C@@H](CCl)[*:1] CC[C@H]1CC[C@@H](NS(=O)(=O)C[*:1])[C@@H]1C
CCCCCC[C@H]([NH3+])C1([NH+]2CCCC2)CCCC1 CCCCC[*:1] [NH3+][C@@H](C[*:1])C1(CCCC1)[NH+]1CCCC1
CCCCCC[C@H]([NH3+])C1([NH+]2CCCC2)CCCC1 CCCC[*:1] [NH3+][C@@H](CC[*:1])C1(CCCC1)[NH+]1CCCC1
CCCCCC[C@H]([NH3+])C1([NH+]2CCCC2)CCCC1 CCC[*:1] [NH3+][C@@H](CCC[*:1])C1(CCCC1)[NH+]1CCCC1
CCCCCC[C@H]([NH3+])C1([NH+]2CCCC2)CCCC1 CCCCCC[*:1] [NH3+][C@H](C1(CCCC1)[NH+]1CCCC1)[*:1]
Cc1nc(CNC(=O)c2ncoc2-c2cccs2)sc1C c1csc(c1)[*:1] Cc1nc(CNC(=O)c2ncoc2[*:1])sc1C
Cc1nc(CNC(=O)c2ncoc2-c2cccs2)sc1C Cc1nc(sc1C)[*:1] O=C(NC[*:1])c1ncoc1-c1cccs1
O=C(c1c[nH]c2ccccc12)N(Cc1ccccn1)c1nc2ccccc2s1 c1ccc(nc1)[*:1] O=C(c1c[nH]c2ccccc12)N(C[*:1])c1nc2ccccc2s1
O=C(c1c[nH]c2ccccc12)N(Cc1ccccn1)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(c1c[nH]c2ccccc12)N(Cc1ccccn1)[*:1]
O=C(c1c[nH]c2ccccc12)N(Cc1ccccn1)c1nc2ccccc2s1 c1ccc(C[*:1])nc1 O=C(c1c[nH]c2ccccc12)N(c1nc2ccccc2s1)[*:1]
O=C(c1c[nH]c2ccccc12)N(Cc1ccccn1)c1nc2ccccc2s1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N(Cc1ccccn1)c1nc2ccccc2s1)[*:1]
CS[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 CC(C)(C)[*:1] CS[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1nn(cc1C#N)[*:1]
Cc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 CC(C)(C)NC(=O)[*:1] Cc1ccc(C)c(c1)OCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)(C)NC(=O)c1ccc(cc1)NC(=O)CO[*:1]
Cc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 CC(C)(C)[*:1] Cc1ccc(C)c(c1)OCC(=O)Nc1ccc(cc1)C(=O)N[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)C[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)C[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)CC[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCC2CCCC2)CC1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)CCC1CCCC1
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)CC[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] CC(=O)Nc1ccc(cc1)C[NH2+]C[C@@H]1CCCN(C1)[*:1]
CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)cc1 CC(=O)N[*:1] c1cnc(nc1)N1CCC[C@@H](C[NH2+]Cc2ccc(cc2)[*:1])C1
Cc1cc(N2CCC([NH3+])CC2)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] Cc1cc(nc(n1)[*:1])N1CCC([NH3+])CC1
C[C@@H](CN(C)C(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CN(C)C(=O)Nc1ccccc1C(=O)N1CCCCC1)[*:1]
C[C@@H](CN(C)C(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1 O=C(N1CCCCC1)[*:1] C[C@@H](CN(C)C(=O)Nc1ccccc1[*:1])c1ccccc1
Cc1c(C(=O)N(C)Cc2cccc3ncccc23)cnn1-c1nccc(-c2ccccc2F)n1 c1cc(C[*:1])c2cccnc2c1 Cc1c(cnn1-c1nccc(n1)-c1ccccc1F)C(=O)N(C)[*:1]
Cc1c(C(=O)N(C)Cc2cccc3ncccc23)cnn1-c1nccc(-c2ccccc2F)n1 Fc1ccccc1[*:1] Cc1c(cnn1-c1nccc(n1)[*:1])C(=O)N(C)Cc1cccc2ncccc12
Cc1c(C(=O)N(C)Cc2cccc3ncccc23)cnn1-c1nccc(-c2ccccc2F)n1 c1cc(c2cccnc2c1)[*:1] Cc1c(cnn1-c1nccc(n1)-c1ccccc1F)C(=O)N(C)C[*:1]
CCc1ncc(CN2CCO[C@@H](c3nccs3)C2)s1 c1csc(n1)[*:1] CCc1ncc(CN2CCO[C@@H](C2)[*:1])s1
O=C(Nc1cccnc1Cl)C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 Clc1ncccc1[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccc(F)cc1)C(=O)N[*:1]
O=C(Nc1cccnc1Cl)C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cccnc1Cl)C(=O)N[C@H]1CCC[C@H]1[*:1]
CCCC[C@@H](COC)NC(=O)N1CCOC[C@H]1C1CC1 CCCC[*:1] COC[C@@H](NC(=O)N1CCOC[C@H]1C1CC1)[*:1]
CCCC[C@@H](COC)NC(=O)N1CCOC[C@H]1C1CC1 CCC[*:1] COC[C@H](C[*:1])NC(=O)N1CCOC[C@H]1C1CC1
CCCC[C@@H](COC)NC(=O)N1CCOC[C@H]1C1CC1 COC[*:1] CCCC[C@@H](NC(=O)N1CCOC[C@H]1C1CC1)[*:1]
CCCC[C@@H](COC)NC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] CCCC[C@@H](COC)NC(=O)N1CCOC[C@@H]1[*:1]
Cc1oc(C(=O)OC[C@H]2CC=CCC2)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] Cc1oc(cc1[*:1])C(=O)OC[C@H]1CC=CCC1
O=[N+]([O-])c1ccc(Cl)c(/C=N/N2C(=S)[NH+]=N[C@@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(Cl)c(/C=N/N2C(=S)[NH+]=N[C@H]2[*:1])c1
O=[N+]([O-])c1ccc(Cl)c(/C=N/N2C(=S)[NH+]=N[C@@H]2c2ccccc2)c1 O=[N+]([O-])[*:1] S=C1[NH+]=N[C@H](c2ccccc2)N1/N=C/c1cc(ccc1Cl)[*:1]
CC(C)[C@H]1CSC(N[C@@H](C)C[NH+]2CCCC2)=[NH+]1 CC(C)[*:1] C[C@@H](C[NH+]1CCCC1)NC1=[NH+][C@H](CS1)[*:1]
NC(=O)c1cccc(CNC(=O)NCC2(N3CCOCC3)CCCCC2)c1 NC(=O)c1cccc(c1)[*:1] O=C(NCC1(CCCCC1)N1CCOCC1)NC[*:1]
NC(=O)c1cccc(CNC(=O)NCC2(N3CCOCC3)CCCCC2)c1 C1CN(CCO1)[*:1] NC(=O)c1cccc(c1)CNC(=O)NCC1(CCCCC1)[*:1]
NC(=O)c1cccc(CNC(=O)NCC2(N3CCOCC3)CCCCC2)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])NCC1(CCCCC1)N1CCOCC1
CCOC(=O)c1ccc(CNC(=O)Nc2nc3ccccc3s2)o1 CCOC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])Nc1nc2ccccc2s1
NC(=O)c1cc(NC(=O)C(=O)NCc2cccc(Cl)c2)ccc1F NC(=O)[*:1] O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(c1)[*:1]
NC(=O)c1cc(NC(=O)C(=O)NCc2cccc(Cl)c2)ccc1F Clc1cccc(c1)C[*:1] NC(=O)c1cc(ccc1F)NC(=O)C(=O)N[*:1]
NC(=O)c1cc(NC(=O)C(=O)NCc2cccc(Cl)c2)ccc1F Clc1cccc(c1)[*:1] NC(=O)c1cc(ccc1F)NC(=O)C(=O)NC[*:1]
CC(C)[C@@H](CCO)NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 CC(C)[C@@H](CCO)[*:1] O=C(N[C@@H](c1ccc2OCCOc2c1)C1CC1)N[*:1]
CC(C)[C@@H](CCO)NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 OCC[*:1] CC(C)[C@@H](NC(=O)N[C@@H](c1ccc2OCCOc2c1)C1CC1)[*:1]
CC(C)[C@@H](CCO)NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 CC(C)[*:1] O=C(N[C@@H](c1ccc2OCCOc2c1)C1CC1)N[C@H](CCO)[*:1]
CC(C)[C@@H](CCO)NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] CC(C)[C@@H](CCO)NC(=O)N[C@@H](c1ccc2OCCOc2c1)[*:1]
O=c1cc(C2CC[NH+](Cc3ccncc3)CC2)nc(-c2cccnc2)[nH]1 c1cc(ccn1)C[*:1] O=c1cc(nc([nH]1)-c1cccnc1)C1CC[NH+](CC1)[*:1]
O=c1cc(C2CC[NH+](Cc3ccncc3)CC2)nc(-c2cccnc2)[nH]1 c1cncc(c1)[*:1] O=c1cc(nc([nH]1)[*:1])C1CC[NH+](CC1)Cc1ccncc1
O=c1cc(C2CC[NH+](Cc3ccncc3)CC2)nc(-c2cccnc2)[nH]1 c1cc(ccn1)[*:1] O=c1cc(nc([nH]1)-c1cccnc1)C1CC[NH+](CC1)C[*:1]
c1cnn(C2CC[NH+](C3CCSCC3)CC2)c1 c1cnn(c1)[*:1] C1CC(CCS1)[NH+]1CCC(CC1)[*:1]
Cc1ccccc1/C=N/OCC(=O)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] Cc1ccccc1/C=N/OCC(=O)N[*:1]
Cc1ccccc1/C=N/OCC(=O)NC(C1CC1)C1CC1 C1CC1[*:1] Cc1ccccc1/C=N/OCC(=O)NC(C1CC1)[*:1]
Cc1ccccc1/C=N/OCC(=O)NC(C1CC1)C1CC1 Cc1ccccc1[*:1] O=C(CON=C[*:1])NC(C1CC1)C1CC1
O=C(Nc1cccc(Cl)c1Cl)c1nn(-c2ccccc2)c2c1CCC2 c1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1Cl)c1nn(c2CCCc12)[*:1]
O=C(Nc1cccc(Cl)c1Cl)c1nn(-c2ccccc2)c2c1CCC2 Clc1cccc(c1Cl)[*:1] O=C(N[*:1])c1nn(-c2ccccc2)c2CCCc12
CC(C)[C@H](CCO)NC(=O)NC1CCN(C(=O)c2ccco2)CC1 OCC[*:1] CC(C)[C@H](NC(=O)NC1CCN(CC1)C(=O)c1ccco1)[*:1]
CC(C)[C@H](CCO)NC(=O)NC1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CC(C)[C@H](CCO)NC(=O)NC1CCN(CC1)C(=O)[*:1]
CC(C)[C@H](CCO)NC(=O)NC1CCN(C(=O)c2ccco2)CC1 CC(C)[*:1] O=C(NC1CCN(CC1)C(=O)c1ccco1)N[C@@H](CCO)[*:1]
CCOc1cc2c(cc1/C=C/C(=O)N1CCOC[C@H]1C1CC1)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(/C=C/C(=O)N3CCOC[C@H]3C3CC3)cc2O1)[*:1]
CCOc1cc2c(cc1/C=C/C(=O)N1CCOC[C@H]1C1CC1)O[C@@H](C)C2 C1CC1[*:1] CCOc1cc2C[C@H](C)Oc2cc1/C=C/C(=O)N1CCOC[C@@H]1[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)CC2=O)cc1 Cc1ccnc(n1)NS(=O)(=O)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)CC2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)CC2=O)cc1 Cc1ccnc(n1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@@H](C)c2cc(C)oc2C)CC1 CCS(=O)(=O)N(C)[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)N1CCC(CC1)[*:1]
CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@@H](C)c2cc(C)oc2C)CC1 Cc1cc(c(C)o1)[*:1] CCS(=O)(=O)N(C)C1CCN(CC1)C(=O)N[C@@H](C)[*:1]
CN(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1C#N C1CC1[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccccc1C#N
CN(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1C#N O=C(NC1CC1)[*:1] CN(C[*:1])S(=O)(=O)c1ccccc1C#N
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1cc(ccc1NC(=O)c1ccnc(c1)[*:1])S(C)(=O)=O
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccnc(OC(C)(C)C)c1 CS(=O)(=O)[*:1] Cc1cc(ccc1NC(=O)c1ccnc(c1)OC(C)(C)C)[*:1]
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cc(ccc1NC(=O)c1ccnc(c1)O[*:1])S(C)(=O)=O
Cc1cc(C)cc(-n2nnc(C(=O)NC3CCCC3)c2N)c1 C1CCC(C1)[*:1] Cc1cc(C)cc(c1)-n1nnc(C(=O)N[*:1])c1N
Cc1nc(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)cs1 Cc1nc(cs1)[*:1] Cc1cccc(C)c1OC1CCN(CC1)C(=O)[*:1]
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(C3SCCCS3)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(Cl)cc(cc1[*:1])S(=O)(=O)[N-]c1cccc(c1)C1SCCCS1
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(C3SCCCS3)c2)cc1[N+](=O)[O-] C1CSC(SC1)[*:1] Cc1c(Cl)cc(cc1[N+](=O)[O-])S(=O)(=O)[N-]c1cccc(c1)[*:1]
CCCCCCNC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 CCCCCC[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)C(=O)N[*:1]
CCCCCCNC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 CCCCC[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)C(=O)NC[*:1]
CCCCCCNC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 CCC[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)C(=O)NCCC[*:1]
CCCCCCNC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 CCCC[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)C(=O)NCC[*:1]
CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)C12CCC2 CCO[*:1] O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H]1C[C@@H](C12CCC2)[*:1]
C[NH+](CCC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)cc1 Fc1ccc(cc1)[*:1] C[NH+](CCC(=O)N[*:1])Cc1ccc(C#N)cc1
COC(=O)c1ccc(NS(=O)(=O)c2c(C(=O)N3CCCCCC3)c(C)n(C)c2C)cc1 COC(=O)[*:1] Cc1c(C(=O)N2CCCCCC2)c(c(C)n1C)S(=O)(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NS(=O)(=O)c2c(C(=O)N3CCCCCC3)c(C)n(C)c2C)cc1 O=C(N1CCCCCC1)[*:1] COC(=O)c1ccc(cc1)NS(=O)(=O)c1c(c(C)n(C)c1C)[*:1]
COC(=O)c1ccc(NS(=O)(=O)c2c(C(=O)N3CCCCCC3)c(C)n(C)c2C)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1c(C(=O)N2CCCCCC2)c(c(C)n1C)S(=O)(=O)N[*:1]
N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3COc4ccccc43)c2)nc1 N#Cc1ccc(nc1)O[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1COc2ccccc21
N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3COc4ccccc43)c2)nc1 N#Cc1ccc(nc1)[*:1] O=C(Nc1cccc(c1)O[*:1])[C@@H]1COc2ccccc21
CCC[C@H]1C[C@H]1NC(=O)NCc1ccc(OC)c(NC(C)=O)c1 CC(=O)N[*:1] CCC[C@H]1C[C@H]1NC(=O)NCc1ccc(OC)c(c1)[*:1]
CCC[C@H]1C[C@H]1NC(=O)NCc1ccc(OC)c(NC(C)=O)c1 CCC[*:1] COc1ccc(cc1NC(C)=O)CNC(=O)N[C@@H]1C[C@@H]1[*:1]
CC(C)CC(C)(C)C(=O)NCc1nnc2ccccn12 CC(C)[*:1] CC(C)(C[*:1])C(=O)NCc1nnc2ccccn12
CC(C)CC(C)(C)C(=O)NCc1nnc2ccccn12 CC(C)C[*:1] CC(C)(C(=O)NCc1nnc2ccccn12)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)NCC(C)(C)[NH+]1CCCCC1
Cc1ccc(-n2cnnc2SC(C)C)cc1Cl CC(C)[*:1] Cc1ccc(cc1Cl)-n1cnnc1S[*:1]
Cc1ccc(-n2cnnc2SC(C)C)cc1Cl CC(C)S[*:1] Cc1ccc(cc1Cl)-n1cnnc1[*:1]
O=S(=O)(Nc1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(Nc1cc2nc3ccccc3nc2n1Cc1ccccc1)[*:1]
O=S(=O)(Nc1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=S(=O)(Nc1cc2nc3ccccc3nc2n1[*:1])c1ccc(F)cc1
O=S(=O)(Nc1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=S(=O)(Nc1cc2nc3ccccc3nc2n1C[*:1])c1ccc(F)cc1
O=C(c1c[nH]c2nccc(Cl)c12)N1CCC[C@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(c1c[nH]c2nccc(Cl)c12)N1CCC[C@@H]1[*:1]
CNC(=O)c1ccc(CS(=O)(=O)[C@@H](C)C(C)C)cc1 CNC(=O)[*:1] CC(C)[C@H](C)S(=O)(=O)Cc1ccc(cc1)[*:1]
CNC(=O)c1ccc(CS(=O)(=O)[C@@H](C)C(C)C)cc1 CC(C)[*:1] CNC(=O)c1ccc(cc1)CS(=O)(=O)[C@@H](C)[*:1]
C=CCCO[C@H](C)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C CC(C)(C)[*:1] C=CCCO[C@H](C)C(=O)N1C[C@H](C)N(C[C@@H]1C)C(=O)O[*:1]
C=CCCO[C@H](C)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C C=CCC[*:1] C[C@H]1CN(C(=O)[C@@H](C)O[*:1])[C@@H](C)CN1C(=O)OC(C)(C)C
C=CCCO[C@H](C)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C C=CCCO[*:1] C[C@H]1CN(C(=O)[C@@H](C)[*:1])[C@@H](C)CN1C(=O)OC(C)(C)C
C=CCCO[C@H](C)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C C=CCCO[C@H](C)[*:1] C[C@H]1CN(C(=O)[*:1])[C@@H](C)CN1C(=O)OC(C)(C)C
C=CCCO[C@H](C)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C C=CC[*:1] C[C@H]1CN(C(=O)[C@@H](C)OC[*:1])[C@@H](C)CN1C(=O)OC(C)(C)C
CCOCc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1 C1CCN(C1)[*:1] CCOCc1ccc(cc1)NC(=O)c1cccnc1[*:1]
CCOCc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cccnc1N1CCCC1
CCOCc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1 CCOC[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccnc1N1CCCC1
COc1cc2c(cc1OC)[C@@H](C(=O)N(C)c1ccc(C(C)C)cc1)[C@H](c1cccs1)N(C)C2=O CC(C)c1ccc(cc1)[*:1] COc1cc2C(=O)N(C)[C@@H](c3cccs3)[C@H](C(=O)N(C)[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@@H](C(=O)N(C)c1ccc(C(C)C)cc1)[C@H](c1cccs1)N(C)C2=O CC(C)[*:1] COc1cc2C(=O)N(C)[C@@H](c3cccs3)[C@H](C(=O)N(C)c3ccc(cc3)[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@@H](C(=O)N(C)c1ccc(C(C)C)cc1)[C@H](c1cccs1)N(C)C2=O c1csc(c1)[*:1] COc1cc2C(=O)N(C)[C@@H]([C@H](C(=O)N(C)c3ccc(cc3)C(C)C)c2cc1OC)[*:1]
Cc1nc2cccnc2n1C1CCN(C(=O)Nc2ccccc2Br)CC1 Brc1ccccc1[*:1] Cc1nc2cccnc2n1C1CCN(CC1)C(=O)N[*:1]
CCCCc1ccc(NCc2nnc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] CCCCc1ccc(cc1)NCc1nnc(o1)[*:1]
CCCCc1ccc(NCc2nnc(-c3ccccc3)o2)cc1 CCC[*:1] c1ccc(cc1)-c1nnc(CNc2ccc(cc2)C[*:1])o1
CCCCc1ccc(NCc2nnc(-c3ccccc3)o2)cc1 CCCC[*:1] c1ccc(cc1)-c1nnc(CNc2ccc(cc2)[*:1])o1
COc1ccc(-c2nn(-c3ccccc3)cc2CCl)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1CCl)[*:1]
Cc1n[nH]c([C@@H]2CN(C(=O)[C@H](C)c3cccs3)CCO2)n1 C[C@H](c1cccs1)[*:1] Cc1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)[*:1]
Cc1n[nH]c([C@@H]2CN(C(=O)[C@H](C)c3cccs3)CCO2)n1 c1csc(c1)[*:1] Cc1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)[C@H](C)[*:1]
Cc1n[nH]c([C@@H]2CN(C(=O)[C@H](C)c3cccs3)CCO2)n1 Cc1n[nH]c(n1)[*:1] C[C@@H](C(=O)N1CCO[C@@H](C1)[*:1])c1cccs1
C[C@@H]1CN(Cc2cc(F)c(O)c(F)c2)C[C@H](C(N)=O)O1 NC(=O)[*:1] C[C@@H]1CN(Cc2cc(F)c(O)c(F)c2)C[C@H](O1)[*:1]
c1ccc(N2CCC([NH2+]Cc3ccccc3OC3CCC3)CC2)[nH+]c1 C1CC(C1)O[*:1] c1ccc([nH+]c1)N1CCC(CC1)[NH2+]Cc1ccccc1[*:1]
c1ccc(N2CCC([NH2+]Cc3ccccc3OC3CCC3)CC2)[nH+]c1 C1CC(C1)[*:1] c1ccc([nH+]c1)N1CCC(CC1)[NH2+]Cc1ccccc1O[*:1]
O=C(NC1(C(=O)[O-])CCC(c2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21 c1ccc(cc1)[*:1] O=C(NC1(CCC(CC1)[*:1])C(=O)[O-])OCC1c2ccccc2-c2ccccc21
O=C(NC1(C(=O)[O-])CCC(c2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21 O=C([O-])[*:1] O=C(NC1(CCC(CC1)c1ccccc1)[*:1])OCC1c2ccccc2-c2ccccc21
Cc1cc(Cl)cc(C)c1CNc1cccc(C(N)=O)c1C NC(=O)[*:1] Cc1cc(Cl)cc(C)c1CNc1cccc(c1C)[*:1]
CC(C)c1cc(=O)[nH]c2cc(NC(=O)CSc3nc4ccccc4o3)ccc12 c1ccc2oc(nc2c1)[*:1] CC(C)c1cc(=O)[nH]c2cc(ccc12)NC(=O)CS[*:1]
CC(C)c1cc(=O)[nH]c2cc(NC(=O)CSc3nc4ccccc4o3)ccc12 CC(C)[*:1] O=C(CSc1nc2ccccc2o1)Nc1ccc2c(cc(=O)[nH]c2c1)[*:1]
C=CCn1c(SCC(F)F)nnc1-c1ccoc1C FC(F)C[*:1] C=CCn1c(nnc1-c1ccoc1C)S[*:1]
C=CCn1c(SCC(F)F)nnc1-c1ccoc1C FC(F)CS[*:1] C=CCn1c(nnc1[*:1])-c1ccoc1C
C=CCn1c(SCC(F)F)nnc1-c1ccoc1C FC(F)[*:1] C=CCn1c(nnc1-c1ccoc1C)SC[*:1]
C=CCn1c(SCC(F)F)nnc1-c1ccoc1C Cc1occc1[*:1] C=CCn1c(nnc1[*:1])SCC(F)F
C=CCn1c(SCC(F)F)nnc1-c1ccoc1C C=CC[*:1] Cc1occc1-c1nnc(SCC(F)F)n1[*:1]
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2ccco2)[nH]c1=O Fc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1C(=O)c1ccc([nH]c1=O)-c1ccco1)[*:1]
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(-c2ccco2)[nH]c1=O c1coc(c1)[*:1] C[C@@H]1C[C@H](CN1C(=O)c1ccc([nH]c1=O)[*:1])c1ccc(F)cc1
O=C(/C=C/N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H](Cc1c[nH]c2ccccc12)N/C=C/C(=O)[*:1]
O=C(/C=C/N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 O=C([O-])[*:1] O=C(/C=C/N[C@@H](Cc1c[nH]c2ccccc12)[*:1])c1ccccc1
O=C(/C=C/N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 O=C(c1ccccc1)[*:1] O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC=C[*:1]
C[C@@H](CO)NC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CO)NC(=O)N[C@@H](C)c1nc(C[*:1])no1
C[C@@H](CO)NC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 c1ccc(cc1)C[*:1] C[C@@H](CO)NC(=O)N[C@@H](C)c1nc(no1)[*:1]
C[C@@H](CO)NC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 C[C@@H](CO)[*:1] C[C@H](NC(=O)N[*:1])c1nc(Cc2ccccc2)no1
Cc1nnc2n1CCC[C@@H]2NC(=O)N[C@H](CC(C)C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N[C@H](CC(C)C)[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)N[C@H](CC(C)C)c1ccccc1 CC(C)C[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N[C@H](c1ccccc1)[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)N[C@H](CC(C)C)c1ccccc1 CC(C)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N[C@H](C[*:1])c1ccccc1
CS[C@H]1CC[C@H](NC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 CS[C@H]1CC[C@H](C1)[*:1] Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[*:1]
CO[C@@]1(C)C[C@@H](NC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)C1(C)C CC(C)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)c2cc(ccc2F)S(=O)(=O)[*:1])C1(C)C
CO[C@@]1(C)C[C@@H](NC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)C1(C)C CC(C)S(=O)(=O)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)c2cc(ccc2F)[*:1])C1(C)C
CC(C)c1cc(N2CCC[C@H](N3CCCC3=O)C2)nc(C(F)(F)F)n1 FC(F)(F)[*:1] CC(C)c1cc(nc(n1)[*:1])N1CCC[C@@H](C1)N1CCCC1=O
CC(C)c1cc(N2CCC[C@H](N3CCCC3=O)C2)nc(C(F)(F)F)n1 O=C1CCCN1[*:1] CC(C)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)[*:1]
CC(C)c1cc(N2CCC[C@H](N3CCCC3=O)C2)nc(C(F)(F)F)n1 CC(C)[*:1] O=C1CCCN1[C@H]1CCCN(C1)c1cc(nc(n1)C(F)(F)F)[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)CC2CCCC2)CC1 NC(=O)[*:1] O=C(CC1CCCC1)N1CCN(CC1)[C@H](c1ccccc1)[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)CC2CCCC2)CC1 C1CCC(C1)[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)C[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)CC2CCCC2)CC1 c1ccc(cc1)[*:1] NC(=O)[C@@H](N1CCN(CC1)C(=O)CC1CCCC1)[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)CC2CCCC2)CC1 C1CCC(C1)C[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCC2)CC1 CCC[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])N1CCC(CC1)[NH+]1CCCC1
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCC2)CC1 c1ccc(cc1)[*:1] CCC[C@H](C[*:1])NC(=O)N1CCC(CC1)[NH+]1CCCC1
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCC2)CC1 c1ccc(cc1)C[*:1] CCC[C@H](NC(=O)N1CCC(CC1)[NH+]1CCCC1)[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1cnn2c(-c3ccccc3)ccnc12 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1cnn2c(ccnc12)-c1ccccc1
O=C(NCc1ccc2c(c1)OCO2)c1cnn2c(-c3ccccc3)ccnc12 c1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)c1cnn2c(ccnc12)[*:1]
COc1ccc(C[C@](C)(O)CNC(=O)C(=O)Nc2ccccc2F)cc1 COc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1ccccc1F)C[*:1]
COc1ccc(C[C@](C)(O)CNC(=O)C(=O)Nc2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)C[C@](C)(O)CNC(=O)C(=O)N[*:1]
Cc1nn(C)cc1C(=O)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1nn(C)cc1C(=O)Nc1ccc(cc1)[*:1]
Cc1nn(C)cc1C(=O)Nc1ccc(-c2ccccc2)cc1 Cc1nn(C)cc1[*:1] O=C(Nc1ccc(cc1)-c1ccccc1)[*:1]
COc1ccccc1NC(=S)NCCc1cc2c(C)ccc(C)c2[nH]c1=O COc1ccccc1[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)CCNC(=S)N[*:1]
O=C(NNc1ncnc2ccccc12)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(NNc1ncnc2ccccc12)[*:1]
C[C@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccc2c(c1)NC(=O)CO2 Cn1cc(cn1)[*:1] C[C@H](NC(=O)c1csc(n1)[*:1])c1ccc2OCC(=O)Nc2c1
C[C@@H]([NH2+][C@H](CO)c1ccccc1F)c1cc(F)c(F)c(F)c1 Fc1ccccc1[*:1] C[C@@H]([NH2+][C@H](CO)[*:1])c1cc(F)c(F)c(F)c1
C[C@@H]1Sc2ccc(C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc2NC1=O C[C@@H]1C[C@H]1[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N(C)Cc1ccc(o1)[*:1]
C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C CC(C)(C)[*:1] C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
O=c1c2ccccc2c(-c2ccccc2)nn1C[C@@H](O)COCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=c1c2ccccc2c(nn1C[C@@H](O)COC[*:1])-c1ccccc1
O=c1c2ccccc2c(-c2ccccc2)nn1C[C@@H](O)COCc1ccc(Cl)cc1 Clc1ccc(cc1)CO[*:1] O=c1c2ccccc2c(nn1C[C@@H](O)C[*:1])-c1ccccc1
O=c1c2ccccc2c(-c2ccccc2)nn1C[C@@H](O)COCc1ccc(Cl)cc1 Clc1ccc(cc1)COC[*:1] O=c1c2ccccc2c(nn1C[C@@H](O)[*:1])-c1ccccc1
O=c1c2ccccc2c(-c2ccccc2)nn1C[C@@H](O)COCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=c1c2ccccc2c(nn1C[C@@H](O)CO[*:1])-c1ccccc1
O=c1c2ccccc2c(-c2ccccc2)nn1C[C@@H](O)COCc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=c1c2ccccc2c(nn1C[C@@H](O)COCc1ccc(Cl)cc1)[*:1]
CCc1csc(CNC(=O)[C@H](C)n2cnc3ccccc32)n1 CCc1csc(n1)[*:1] C[C@@H](C(=O)NC[*:1])n1cnc2ccccc21
Cc1ncc(C(=O)N2CCC[C@H]2c2[nH]ncc2C(=O)N(C)C)cn1 Cc1ncc(cn1)[*:1] CN(C)C(=O)c1cn[nH]c1[C@@H]1CCCN1C(=O)[*:1]
Cc1ncc(C(=O)N2CCC[C@H]2c2[nH]ncc2C(=O)N(C)C)cn1 CN(C)C(=O)[*:1] Cc1ncc(cn1)C(=O)N1CCC[C@H]1c1[nH]ncc1[*:1]
CC(C)Oc1cccnc1C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 CC(C)O[*:1] O=C(Nc1ccc(cc1)O[C@H]1CCCC[C@H]1O)c1ncccc1[*:1]
CC(C)Oc1cccnc1C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)O[C@H]1CCCC[C@H]1O)c1ncccc1O[*:1]
C[C@@H]([NH2+]C1(CNc2ncccc2F)CCOCC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] Fc1cccnc1NCC1(CCOCC1)[NH2+][*:1]
C[C@@H]([NH2+]C1(CNc2ncccc2F)CCOCC1)c1ccccc1 Fc1cccnc1N[*:1] C[C@@H]([NH2+]C1(CCOCC1)C[*:1])c1ccccc1
C[C@@H]([NH2+]C1(CNc2ncccc2F)CCOCC1)c1ccccc1 Fc1cccnc1[*:1] C[C@@H]([NH2+]C1(CCOCC1)CN[*:1])c1ccccc1
C[C@@H]([NH2+]C1(CNc2ncccc2F)CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]C1(CCOCC1)CNc1ncccc1F)[*:1]
CCCNC(=O)CC[NH2+][C@@H]1CSCCc2ccccc21 CCCNC(=O)[*:1] c1ccc2c(c1)CCSC[C@H]2[NH2+]CC[*:1]
CCCNC(=O)CC[NH2+][C@@H]1CSCCc2ccccc21 CCC[*:1] O=C(CC[NH2+][C@@H]1CSCCc2ccccc21)N[*:1]
COc1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cc1OC CN(C)C(=O)[*:1] COc1ccc(cc1OC)C(=O)Nc1cc(ccc1Cl)[*:1]
COc1ccc2c(c1)=C[C@@H](CN(C(=O)c1ccco1)c1ccc(C)c(C)c1)C(=O)[NH+]=2 Cc1ccc(cc1C)[*:1] COc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C(=O)c1ccco1)[*:1]
COc1ccc2c(c1)=C[C@@H](CN(C(=O)c1ccco1)c1ccc(C)c(C)c1)C(=O)[NH+]=2 c1coc(c1)[*:1] COc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C(=O)[*:1])c1ccc(C)c(C)c1
CCOC(=O)[C@@H](CC)[NH+]1C[C@H]2CC=CC[C@@H]2C1 CCOC(=O)[*:1] CC[C@@H]([NH+]1C[C@H]2CC=CC[C@@H]2C1)[*:1]
COC(=O)c1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 COC(=O)[*:1] Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(cc1)[*:1]
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](C[NH+](CC)CC)C1 CCC=C(C)[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C(=O)[C@H]1CSCN1C(=O)[*:1]
Cc1nc2sc(C(=O)N(C)Cc3ccccc3)c(N)c2c(C)c1C c1ccc(cc1)C[*:1] Cc1nc2sc(C(=O)N(C)[*:1])c(N)c2c(C)c1C
Cc1nc2sc(C(=O)N(C)Cc3ccccc3)c(N)c2c(C)c1C c1ccc(cc1)[*:1] Cc1nc2sc(C(=O)N(C)C[*:1])c(N)c2c(C)c1C
C[NH2+][C@H](Cc1ccc(OC)nc1)CC(C)C CC(C)C[*:1] C[NH2+][C@H](Cc1ccc(nc1)OC)[*:1]
C[NH2+][C@H](Cc1ccc(OC)nc1)CC(C)C CC(C)[*:1] C[NH2+][C@H](Cc1ccc(nc1)OC)C[*:1]
Cc1noc(C)c1CN1CCN(C(=O)CN2CCOC[C@H]2C)CC1 Cc1noc(C)c1C[*:1] C[C@@H]1COCCN1CC(=O)N1CCN(CC1)[*:1]
Cc1noc(C)c1CN1CCN(C(=O)CN2CCOC[C@H]2C)CC1 Cc1noc(C)c1[*:1] C[C@@H]1COCCN1CC(=O)N1CCN(CC1)C[*:1]
NC(=O)c1ccccc1OCCOc1ccc(F)cc1 NC(=O)[*:1] Fc1ccc(cc1)OCCOc1ccccc1[*:1]
Cc1ccc(NC(=O)C(=O)N(C)CCCc2n[nH]c(N)c2C#N)cc1 Cc1ccc(cc1)[*:1] CN(CCCc1n[nH]c(N)c1C#N)C(=O)C(=O)N[*:1]
Cc1cc(N2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CC2)nc(C(C)C)[nH+]1 c1coc(c1)[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CC[NH+](CC1)CC(=O)Nc1c(C#N)c(C)c(C)n1C[*:1]
Cc1cc(N2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CC[NH+](CC1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1
Cc1cc(N2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CC2)nc(C(C)C)[nH+]1 c1coc(c1)C[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CC[NH+](CC1)CC(=O)Nc1c(C#N)c(C)c(C)n1[*:1]
Cc1ccc(C)c(SCC(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1ccc(C)c(c1)SCC(=O)NC[*:1]
Cc1ccc(C)c(SCC(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1ccc(C)c(c1)SCC(=O)N[*:1]
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCCc4ccccc43)cc2c1 c1ccc2c(c1)CCCN2[*:1] COc1ccc2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1C[C@H]1CCCO1)[*:1]
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H]1C[C@@H](CN1C(=O)NC[*:1])c1ccc(F)cc1
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1cnn(C)c1 Cn1cc(cn1)C[*:1] C[C@H]1C[C@@H](CN1C(=O)N[*:1])c1ccc(F)cc1
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1cnn(C)c1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1C(=O)NCc1cnn(C)c1)[*:1]
CCN(C[C@H]1COc2ccccc2O1)C(=O)COc1ccccc1C#N N#Cc1ccccc1[*:1] CCN(C[C@H]1COc2ccccc2O1)C(=O)CO[*:1]
C[C@@H]([NH2+]CCCc1ccc(Cl)cc1)c1ccc([S@](C)=O)cc1 Clc1ccc(cc1)[*:1] C[C@@H]([NH2+]CCC[*:1])c1ccc(cc1)[S@](C)=O
C[C@@H]([NH2+]CCCc1ccc(Cl)cc1)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@@H]([NH2+]CCCc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
O=C(NCc1ccccc1OCC1CC1)N[C@H]1C[C@H]2CC[C@@H]1O2 C1CC1C[*:1] O=C(NCc1ccccc1O[*:1])N[C@H]1C[C@H]2CC[C@@H]1O2
O=C(NCc1ccccc1OCC1CC1)N[C@H]1C[C@H]2CC[C@@H]1O2 C1CC1CO[*:1] O=C(NCc1ccccc1[*:1])N[C@H]1C[C@H]2CC[C@@H]1O2
O=C(NCc1ccccc1OCC1CC1)N[C@H]1C[C@H]2CC[C@@H]1O2 C1CC1[*:1] O=C(NCc1ccccc1OC[*:1])N[C@H]1C[C@H]2CC[C@@H]1O2
Clc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 Clc1cccc(c1)[*:1] c1ccc(cc1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
Clc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 c1ccc(cc1)[*:1] Clc1cccc(c1)[C@@H]1C[C@@H](Nc2ncnn21)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)CCn1cc(C(=O)[O-])cn1 O=C([O-])[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CCn1cc(cn1)[*:1]
CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(F)cc(F)c3)ccc21 Fc1cc(F)cc(c1)[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)C(=O)N[*:1]
CCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 CCC[*:1] C[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)[*:1]
CCNC(=O)C[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 CCNC(=O)C[*:1] Oc1cc(cc2C[NH+](CCOc12)[*:1])-c1cccc(Cl)c1
CCNC(=O)C[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 CCNC(=O)[*:1] Oc1cc(cc2C[NH+](CCOc12)C[*:1])-c1cccc(Cl)c1
CCNC(=O)C[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 Clc1cccc(c1)[*:1] CCNC(=O)C[NH+]1CCOc2c(O)cc(cc2C1)[*:1]
CC(=O)NCC[NH2+]C[C@@H]1CSc2ccccc21 CC(=O)NC[*:1] c1ccc2c(c1)SC[C@H]2C[NH2+]C[*:1]
CC(=O)NCC[NH2+]C[C@@H]1CSc2ccccc21 CC(=O)N[*:1] c1ccc2c(c1)SC[C@H]2C[NH2+]CC[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC[C@@H]1C(=O)[O-] Clc1ccccc1[*:1] Cc1onc(c1C(=O)N1CCCC[C@@H]1C(=O)[O-])[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC[C@H]1[*:1]
COc1ccc(F)c(NC(=O)c2ccc(CNC(N)=O)cc2)c1 NC(=O)NC[*:1] COc1ccc(F)c(c1)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(F)c(NC(=O)c2ccc(CNC(N)=O)cc2)c1 NC(=O)N[*:1] COc1ccc(F)c(c1)NC(=O)c1ccc(cc1)C[*:1]
O=C(Cc1cccc(CNC(=O)c2ccnc3c2OCO3)c1)NCc1cccs1 c1csc(c1)[*:1] O=C(Cc1cccc(c1)CNC(=O)c1ccnc2OCOc12)NC[*:1]
O=C(Cc1cccc(CNC(=O)c2ccnc3c2OCO3)c1)NCc1cccs1 c1csc(c1)C[*:1] O=C(Cc1cccc(c1)CNC(=O)c1ccnc2OCOc12)N[*:1]
O=C(Cc1cccc(CNC(=O)c2ccnc3c2OCO3)c1)NCc1cccs1 O=C(NCc1cccs1)[*:1] O=C(NCc1cccc(c1)C[*:1])c1ccnc2OCOc12
CCOC(=O)c1cnc2c(C(=O)OCC)ncn2c1[O-] CCOC(=O)[*:1] CCOC(=O)c1ncn2c([O-])c(cnc12)[*:1]
CCOC(=O)c1cnc2c(C(=O)OCC)ncn2c1[O-] CCOC(=O)[*:1] CCOC(=O)c1cnc2c(ncn2c1[O-])[*:1]
CNc1cc(C)c(S(=O)(=O)N[C@H](C)C2CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1cc(C)c(cc1[*:1])S(=O)(=O)N[C@H](C)C1CC1
CNc1cc(C)c(S(=O)(=O)N[C@H](C)C2CC2)cc1[N+](=O)[O-] C1CC1[*:1] CNc1cc(C)c(cc1[N+](=O)[O-])S(=O)(=O)N[C@H](C)[*:1]
CNc1cc(C)c(S(=O)(=O)N[C@H](C)C2CC2)cc1[N+](=O)[O-] C[C@H](C1CC1)[*:1] CNc1cc(C)c(cc1[N+](=O)[O-])S(=O)(=O)N[*:1]
C/C(=C/C(=O)Nc1cn(C)nc1-c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=CC(=O)Nc1cn(C)nc1-c1ccccc1)[*:1]
C/C(=C/C(=O)Nc1cn(C)nc1-c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] C/C(=C/C(=O)Nc1cn(C)nc1[*:1])c1ccc(F)cc1
O=C(Cc1csc([C@H]2CSCCS2)n1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)[C@H]1CSCCS1)[*:1]
CSCc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] CSCc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CSCc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 CSC[*:1] NC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1O Clc1cccc(c1)[*:1] COc1ccc(cc1O)CNC(=O)[C@H](C)O[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cncn1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cncn1)[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cncn1)c1ccc(Cl)cc1 c1ncn(n1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccccc1[*:1])c1ccc(Cl)cc1
Cc1nc([C@@H]2CCCCN2C(=O)C[NH+](C)C)ncc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] Cc1nc(ncc1[*:1])[C@@H]1CCCCN1C(=O)C[NH+](C)C
O=C(c1cccc(Cl)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 Clc1cccc(c1)[*:1] O=C(N1CCC2(CC1)Nc1ccccc1-n1cccc12)[*:1]
O=c1c2nnc3c(-c4ccccc4)cnn3c2ccn1Cc1ccccc1Cl Clc1ccccc1C[*:1] O=c1c2nnc3c(cnn3c2ccn1[*:1])-c1ccccc1
O=c1c2nnc3c(-c4ccccc4)cnn3c2ccn1Cc1ccccc1Cl Clc1ccccc1[*:1] O=c1c2nnc3c(cnn3c2ccn1C[*:1])-c1ccccc1
O=c1c2nnc3c(-c4ccccc4)cnn3c2ccn1Cc1ccccc1Cl c1ccc(cc1)[*:1] O=c1c2nnc3c(cnn3c2ccn1Cc1ccccc1Cl)[*:1]
CCCCCN(C(=O)Nc1nnc(C2CC2)s1)C(C)C CCC[*:1] CC(C)N(CC[*:1])C(=O)Nc1nnc(s1)C1CC1
CCCCCN(C(=O)Nc1nnc(C2CC2)s1)C(C)C CCCCC[*:1] CC(C)N(C(=O)Nc1nnc(s1)C1CC1)[*:1]
CCCCCN(C(=O)Nc1nnc(C2CC2)s1)C(C)C CCCC[*:1] CC(C)N(C[*:1])C(=O)Nc1nnc(s1)C1CC1
CCCCCN(C(=O)Nc1nnc(C2CC2)s1)C(C)C CC(C)[*:1] CCCCCN(C(=O)Nc1nnc(s1)C1CC1)[*:1]
CCCCCN(C(=O)Nc1nnc(C2CC2)s1)C(C)C C1CC1[*:1] CCCCCN(C(=O)Nc1nnc(s1)[*:1])C(C)C
C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(CCS(C)(=O)=O)CC1)c1ccccc1 c1ccc2sc(nc2c1)[*:1] C[C@@](C[*:1])(C(=O)N1CCN(CC1)CCS(C)(=O)=O)c1ccccc1
C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(CCS(C)(=O)=O)CC1)c1ccccc1 CS(=O)(=O)C[*:1] C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(CC1)C[*:1])c1ccccc1
C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(CCS(C)(=O)=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(CC1)CCS(C)(=O)=O)[*:1]
C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(CCS(C)(=O)=O)CC1)c1ccccc1 CS(=O)(=O)[*:1] C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(CC1)CC[*:1])c1ccccc1
C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(CCS(C)(=O)=O)CC1)c1ccccc1 c1ccc2sc(C[*:1])nc2c1 C[C@@](C(=O)N1CCN(CC1)CCS(C)(=O)=O)(c1ccccc1)[*:1]
C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(CCS(C)(=O)=O)CC1)c1ccccc1 CS(=O)(=O)CC[*:1] C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(CC1)[*:1])c1ccccc1
Cc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)s1 O=C([O-])[*:1] Cc1cc(C(=O)N[C@H](C(C)C)[*:1])c(C)s1
Cc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)s1 CC(C)[*:1] Cc1cc(C(=O)N[C@H](C(=O)[O-])[*:1])c(C)s1
C[C@H]1CN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)CC(C)(C)O1 C1CC1[*:1] C[C@H]1CN(CC(C)(C)O1)C(=O)c1cc(nn1C(C)(C)C)[*:1]
C[C@H]1CN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)CC(C)(C)O1 CC(C)(C)[*:1] C[C@H]1CN(CC(C)(C)O1)C(=O)c1cc(nn1[*:1])C1CC1
CC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 CC(=O)N[*:1] C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2cc(ccc2Cl)[*:1])C1
Cc1nc(-c2ccsc2)sc1C(=O)NNC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1nc(sc1C(=O)NNC(=O)O[*:1])-c1ccsc1
Cc1nc(-c2ccsc2)sc1C(=O)NNC(=O)OC(C)(C)C c1cc(cs1)[*:1] Cc1nc(sc1C(=O)NNC(=O)OC(C)(C)C)[*:1]
CCOC(=O)c1ccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 CCOC(=O)[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccc2OCCOc2c1
COCCOc1cccc(CNC(=O)c2c(C)cc(C)[nH]c2=O)c1 COCC[*:1] Cc1cc(C)c(C(=O)NCc2cccc(c2)O[*:1])c(=O)[nH]1
COCCOc1cccc(CNC(=O)c2c(C)cc(C)[nH]c2=O)c1 COC[*:1] Cc1cc(C)c(C(=O)NCc2cccc(c2)OC[*:1])c(=O)[nH]1
COCCOc1cccc(CNC(=O)c2c(C)cc(C)[nH]c2=O)c1 COCCO[*:1] Cc1cc(C)c(C(=O)NCc2cccc(c2)[*:1])c(=O)[nH]1
Fc1ccc2ccnc(N3CCO[C@H](c4ccc(Br)cc4)C3)c2c1 Brc1ccc(cc1)[*:1] Fc1ccc2ccnc(c2c1)N1CCO[C@H](C1)[*:1]
Cc1cc(N(Cc2ccco2)C2CC2)c([C@@H](C)O)cc1F c1coc(c1)C[*:1] Cc1cc(c(cc1F)[C@@H](C)O)N(C1CC1)[*:1]
Cc1cc(N(Cc2ccco2)C2CC2)c([C@@H](C)O)cc1F C1CC1[*:1] Cc1cc(c(cc1F)[C@@H](C)O)N(Cc1ccco1)[*:1]
Cc1cc(N(Cc2ccco2)C2CC2)c([C@@H](C)O)cc1F C[C@@H](O)[*:1] Cc1cc(c(cc1F)[*:1])N(Cc1ccco1)C1CC1
Cc1cc(N(Cc2ccco2)C2CC2)c([C@@H](C)O)cc1F c1coc(c1)[*:1] Cc1cc(c(cc1F)[C@@H](C)O)N(C[*:1])C1CC1
C[C@@]([NH3+])(Cc1ccc(Br)s1)c1cc(F)cc(F)c1 Brc1ccc(s1)[*:1] C[C@@]([NH3+])(C[*:1])c1cc(F)cc(F)c1
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C)CC2)cc1 CC(C)C[*:1] C[NH+]1CCN(CC1)C(=O)CCc1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C)CC2)cc1 CC(C)CNS(=O)(=O)[*:1] C[NH+]1CCN(CC1)C(=O)CCc1ccc(cc1)[*:1]
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C)CC2)cc1 CC(C)[*:1] C[NH+]1CCN(CC1)C(=O)CCc1ccc(cc1)S(=O)(=O)NC[*:1]
C[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@H]1Cc1cccc(O)c1 CC(C)(C)[*:1] C[NH2+][C@H]1CC[C@H](C[C@H]1Cc1cccc(O)c1)[*:1]
COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccco1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccco1)[*:1]
COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccco1)c1ccccn1 c1coc(c1)[*:1] COc1ccccc1[C@@H](NC(=O)N[C@@H](C)[*:1])c1ccccn1
COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccco1)c1ccccn1 COc1ccccc1[*:1] C[C@H](NC(=O)N[C@@H](c1ccccn1)[*:1])c1ccco1
COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccco1)c1ccccn1 C[C@@H](c1ccco1)[*:1] COc1ccccc1[C@@H](NC(=O)N[*:1])c1ccccn1
C=CCN1C(=O)/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2ccccc21 C=CC[*:1] O=C1/C(c2ccccc2N1[*:1])=c1\sc2nc(nn2c1=O)-c1ccncc1
C=CCN1C(=O)/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2ccccc21 c1cc(ccn1)[*:1] C=CCN1C(=O)/C(c2ccccc21)=c1\sc2nc(nn2c1=O)[*:1]
COC(=O)C1(c2nc3cnccc3n2C(C)C)CC1 CC(C)[*:1] COC(=O)C1(CC1)c1nc2cnccc2n1[*:1]
COC(=O)C1(c2nc3cnccc3n2C(C)C)CC1 COC(=O)[*:1] CC(C)n1c(nc2cnccc21)C1(CC1)[*:1]
CCc1nc(CS(=O)(=O)[C@H](C)c2nc(C3CC3)no2)cs1 C1CC1[*:1] CCc1nc(cs1)CS(=O)(=O)[C@H](C)c1nc(no1)[*:1]
CCc1nc(CS(=O)(=O)[C@H](C)c2nc(C3CC3)no2)cs1 CCc1nc(cs1)[*:1] C[C@H](c1nc(no1)C1CC1)S(=O)(=O)C[*:1]
C[C@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)NCC[*:1]
C[C@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)NC[*:1]
CCN(CC)C(=O)c1ccc(C(=O)N2CC[C@@](F)(C(=O)OC)C2)cc1 COC(=O)[*:1] CCN(CC)C(=O)c1ccc(cc1)C(=O)N1CC[C@@](F)(C1)[*:1]
CCN(CC)C(=O)c1ccc(C(=O)N2CC[C@@](F)(C(=O)OC)C2)cc1 CCN(CC)C(=O)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1ccc(cc1)[*:1]
COc1ccc(CCC(=O)N2CCn3c2nc2ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])N1CCn2c1nc1ccccc12
CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 CCc1ccccc1[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
COCCNC(=O)CCc1ccc(F)c(F)c1 COC[*:1] O=C(CCc1ccc(F)c(F)c1)NC[*:1]
COCCNC(=O)CCc1ccc(F)c(F)c1 COCC[*:1] O=C(CCc1ccc(F)c(F)c1)N[*:1]
Fc1ccc2c(c1)C[C@@H](c1nc(C3CCCCC3)no1)CO2 C1CCC(CC1)[*:1] Fc1ccc2OC[C@@H](Cc2c1)c1nc(no1)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 CC(C)(C)[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)[*:1])C(=O)Nc1cccc(c1)S(N)(=O)=O
CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N[C@@H](C(=O)Nc1cccc(c1)S(N)(=O)=O)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 CC(C)(C)c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)Nc1cccc(c1)S(N)(=O)=O
CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)Nc1cccc(c1)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 NS(=O)(=O)c1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[*:1]
CCn1nc(C)c(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1C Fc1ccc(cc1F)[*:1] CCn1nc(C)c(NC(=O)N2CCO[C@H](C2)[*:1])c1C
CNC(=O)[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccc(F)c(F)c1 CNC(=O)[*:1] Cn1cc(cn1)S(=O)(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
CNC(=O)[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccc(F)c(F)c1 Cn1cc(cn1)[*:1] CNC(=O)[C@@H](NS(=O)(=O)[*:1])c1ccc(F)c(F)c1
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)C1 Fc1cccc(c1)[*:1] C[C@H]1C[C@@H](N(C1)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
C[C@@H]1CN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC(C)(C)O1 C1CC1[*:1] C[C@@H]1CN(CC(C)(C)O1)[C@H](C(=O)N[*:1])c1ccc(F)cc1
C[C@@H]1CN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC(C)(C)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(CC(C)(C)O1)[C@H](C(=O)NC1CC1)[*:1]
C[C@@H]1CN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC(C)(C)O1 O=C(NC1CC1)[*:1] C[C@@H]1CN(CC(C)(C)O1)[C@H](c1ccc(F)cc1)[*:1]
CC[C@H](SCc1ccnn1C)c1ccc(F)cc1F Cn1nccc1[*:1] CC[C@H](SC[*:1])c1ccc(F)cc1F
Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N[C@@H](C)c2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)[*:1]
Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N[C@@H](C)c2ccncc2)cc1 C[C@@H](c1ccncc1)[*:1] Cc1ccc(cc1)[C@@H]1OCCC[C@H]1NC(=O)N[*:1]
Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N[C@@H](C)c2ccncc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@@H]1CCCO[C@H]1[*:1])c1ccncc1
Cc1cc(CN2CC[NH+](CCOC(C)C)CC2)ccc1F CC(C)[*:1] Cc1cc(ccc1F)CN1CC[NH+](CCO[*:1])CC1
Cc1cc(CN2CC[NH+](CCOC(C)C)CC2)ccc1F CC(C)O[*:1] Cc1cc(ccc1F)CN1CC[NH+](CC1)CC[*:1]
Cc1cc(CN2CC[NH+](CCOC(C)C)CC2)ccc1F CC(C)OC[*:1] Cc1cc(ccc1F)CN1CC[NH+](CC1)C[*:1]
Cc1cc(CN2CC[NH+](CCOC(C)C)CC2)ccc1F CC(C)OCC[*:1] Cc1cc(ccc1F)CN1CC[NH+](CC1)[*:1]
C[C@H](NC(=O)c1cc(C(N)=O)cn1C)c1ccc(F)cc1F NC(=O)[*:1] C[C@H](NC(=O)c1cc(cn1C)[*:1])c1ccc(F)cc1F
c1ccc(-c2nc(CN3CC(n4cccn4)C3)cs2)cc1 c1cnn(c1)[*:1] c1ccc(cc1)-c1nc(cs1)CN1CC(C1)[*:1]
c1ccc(-c2nc(CN3CC(n4cccn4)C3)cs2)cc1 c1ccc(cc1)[*:1] c1cnn(c1)C1CN(Cc2csc(n2)[*:1])C1
C[S@@](=O)c1ccc(NC(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] C[S@@](=O)c1ccc(cc1)NC(=O)NC[*:1]
CC[C@@H](O)CN1CC[NH+](CC2CCOCC2)CC1 C1CC(CCO1)[*:1] CC[C@@H](O)CN1CC[NH+](CC1)C[*:1]
CC[C@@H](O)CN1CC[NH+](CC2CCOCC2)CC1 CC[C@@H](O)[*:1] C1CC(CCO1)C[NH+]1CCN(CC1)C[*:1]
CC[C@@H](O)CN1CC[NH+](CC2CCOCC2)CC1 CC[C@@H](O)C[*:1] C1CC(CCO1)C[NH+]1CCN(CC1)[*:1]
Cc1ccccc1OC(=O)[C@H](C)NC(=O)c1ccccc1 Cc1ccccc1[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)O[*:1]
Cc1ccccc1OC(=O)[C@H](C)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1OC(=O)[C@H](C)NC(=O)[*:1]
CCc1ccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)[*:1] O=C(N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)[*:1]
CCc1ccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 c1coc(c1)C[*:1] CCc1ccc(cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCc1ccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl O=[N+]([O-])[*:1] O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[*:1])c1ccc(Cl)cc1Cl
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])[*:1]
COC(=O)c1c(NC(=O)c2cc3cc(Br)ccc3o2)sc2c1CCC2 COC(=O)[*:1] O=C(Nc1sc2CCCc2c1[*:1])c1cc2cc(Br)ccc2o1
CCCN[C@]1(C#N)CCCCC1(C)C CCC[*:1] CC1(C)CCCC[C@@]1(C#N)N[*:1]
CCCN[C@]1(C#N)CCCCC1(C)C CCCN[*:1] CC1(C)CCCC[C@]1(C#N)[*:1]
Cc1cccc(CNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c1 Cc1cccc(c1)[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC[*:1]
O=C(NCC1(O)CCCCC1)c1cc(COc2ccc(F)cc2Cl)on1 OC1(CCCCC1)C[*:1] O=C(N[*:1])c1cc(COc2ccc(F)cc2Cl)on1
O=C(NCC1(O)CCCCC1)c1cc(COc2ccc(F)cc2Cl)on1 OC1(CCCCC1)[*:1] O=C(NC[*:1])c1cc(COc2ccc(F)cc2Cl)on1
O=C(NCC1(O)CCCCC1)c1cc(COc2ccc(F)cc2Cl)on1 Fc1ccc(c(Cl)c1)[*:1] O=C(NCC1(O)CCCCC1)c1cc(CO[*:1])on1
C=CCn1c(SCC(=O)NC(C)(C)C)nnc1C(C)(C)C CC(C)(C)NC(=O)[*:1] C=CCn1c(nnc1C(C)(C)C)SC[*:1]
C=CCn1c(SCC(=O)NC(C)(C)C)nnc1C(C)(C)C CC(C)(C)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)NC(C)(C)C
C=CCn1c(SCC(=O)NC(C)(C)C)nnc1C(C)(C)C C=CC[*:1] CC(C)(C)NC(=O)CSc1nnc(n1[*:1])C(C)(C)C
C=CCn1c(SCC(=O)NC(C)(C)C)nnc1C(C)(C)C CC(C)(C)[*:1] C=CCn1c(nnc1C(C)(C)C)SCC(=O)N[*:1]
N#Cc1c2ncn(CC(=O)c3ccc(Br)cc3)c(=O)c2c2n1CCC2 Brc1ccc(cc1)[*:1] N#Cc1c2ncn(CC(=O)[*:1])c(=O)c2c2CCCn12
COc1ccc(OC)c([C@H](N)C(F)(F)C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(OC)c(c1)[C@H](N)C(F)(F)[*:1]
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccccc1C#N c1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)OCC(=O)Nc1ccccc1C#N
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccccc1C#N N#Cc1ccccc1[*:1] N#C/C(=C\c1ccccc1)C(=O)OCC(=O)N[*:1]
Cc1ccccc1[C@H](O)CNC(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1ccccc1[C@H](O)CNC(=O)N[C@H](C)[*:1]
Cc1ccccc1[C@H](O)CNC(=O)N[C@H](C)CS(C)(=O)=O Cc1ccccc1[*:1] C[C@H](CS(C)(=O)=O)NC(=O)NC[C@@H](O)[*:1]
Cc1ccccc1[C@H](O)CNC(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccccc1[C@H](O)CNC(=O)N[C@H](C)C[*:1]
Cc1ccccc1[C@H](O)CNC(=O)N[C@H](C)CS(C)(=O)=O C[C@H](CS(C)(=O)=O)[*:1] Cc1ccccc1[C@H](O)CNC(=O)N[*:1]
O=C(c1[nH]nc(C2CC2)c1Cl)N1CC[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(c1[nH]nc(c1Cl)C1CC1)N1CC[C@H]1[*:1]
O=C(c1[nH]nc(C2CC2)c1Cl)N1CC[C@@H]1c1ccc(Cl)cc1 C1CC1[*:1] O=C(c1[nH]nc(c1Cl)[*:1])N1CC[C@@H]1c1ccc(Cl)cc1
Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1F C[S@@](=O)[*:1] Cc1ccc(cc1F)C(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
Cc1ccc(C2=C[C@@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)N=N2)c(O)c1 Cc1ccc(c(O)c1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)[C@@H]1C=C(N=N1)[*:1]
Cc1ccc(C2=C[C@@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)N=N2)c(O)c1 NS(=O)(=O)[*:1] Cc1ccc(C2=C[C@H](N=N2)C(=O)Nc2ccc(cc2)[*:1])c(O)c1
C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccc(F)cc2)C(=O)N1Cc1ccccc1 O=C(NCc1ccc(F)cc1)[*:1] C[C@@H]1c2nc3ccccc3n2[C@@H](C[*:1])C(=O)N1Cc1ccccc1
C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccc(F)cc2)C(=O)N1Cc1ccccc1 Fc1ccc(cc1)C[*:1] C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)N[*:1])C(=O)N1Cc1ccccc1
C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccc(F)cc2)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccc(F)cc2)C(=O)N1[*:1]
C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccc(F)cc2)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccc(F)cc2)C(=O)N1C[*:1]
C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCc2ccc(F)cc2)C(=O)N1Cc1ccccc1 Fc1ccc(cc1)[*:1] C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NC[*:1])C(=O)N1Cc1ccccc1
COc1ccc(OCCCn2c(C)nc([N+](=O)[O-])c2Br)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)OCCCn1c(C)nc(c1Br)[*:1]
CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCC(N)=O)CO2 CN(C)C(=O)[*:1] CN1c2cc(ccc2OC[C@@H]1CC(=O)NCC(N)=O)[*:1]
CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCC(N)=O)CO2 NC(=O)CNC(=O)[*:1] CN(C)C(=O)c1ccc2OC[C@H](C[*:1])N(C)c2c1
CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCC(N)=O)CO2 NC(=O)C[*:1] CN(C)C(=O)c1ccc2OC[C@H](CC(=O)N[*:1])N(C)c2c1
CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCC(N)=O)CO2 NC(=O)CNC(=O)C[*:1] CN(C)C(=O)c1ccc2OC[C@H](N(C)c2c1)[*:1]
CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCC(N)=O)CO2 NC(=O)[*:1] CN(C)C(=O)c1ccc2OC[C@H](CC(=O)NC[*:1])N(C)c2c1
COc1ccc(CCNC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)cc1OC c1cnn(c1)[*:1] COc1ccc(cc1OC)CCNC(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1c(CN(C)S(=O)(=O)c2ccccc2)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)CN(C)S(=O)(=O)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@H](C)Cc2cccs2)c(F)c1 c1csc(c1)[*:1] Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[*:1])c(F)c1
Cc1ccc(NC(=O)C(=O)NC[C@H](C)Cc2cccs2)c(F)c1 c1csc(c1)C[*:1] Cc1ccc(NC(=O)C(=O)NC[C@H](C)[*:1])c(F)c1
Cc1ccc([C@H]2CSCCN2C(=O)[C@H]2CCOC2)o1 Cc1ccc(o1)[*:1] O=C([C@H]1CCOC1)N1CCSC[C@@H]1[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)[C@H]2CCOC2)o1 C1C[C@@H](CO1)[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)[*:1]
CCn1ccc(C(=O)NCCC[NH3+])n1 [NH3+]CCC[*:1] CCn1ccc(n1)C(=O)N[*:1]
CCn1ccc(C(=O)NCCC[NH3+])n1 [NH3+]CC[*:1] CCn1ccc(n1)C(=O)NC[*:1]
CC(C)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)N1CCN(CC1)C[*:1]
CC(C)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] CC(C)c1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
CC(C)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(CC1)Cc1ccccc1
CCCCc1nnc(NC(=O)N(C)CC2CCCC2)s1 CCC[*:1] CN(CC1CCCC1)C(=O)Nc1nnc(C[*:1])s1
CCCCc1nnc(NC(=O)N(C)CC2CCCC2)s1 C1CCC(C1)C[*:1] CCCCc1nnc(NC(=O)N(C)[*:1])s1
CCCCc1nnc(NC(=O)N(C)CC2CCCC2)s1 CCCC[*:1] CN(CC1CCCC1)C(=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)N(C)CC2CCCC2)s1 C1CCC(C1)[*:1] CCCCc1nnc(NC(=O)N(C)C[*:1])s1
C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1 O=[N+]([O-])[*:1] C[NH+](CCn1cc(ccc1=O)[*:1])Cc1ccc(F)cc1
C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](CCn1cc(ccc1=O)[N+](=O)[O-])C[*:1]
CNC(=O)c1nnn(/N=C\c2ccc(C)cc2)c1OCC(=O)c1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(/C=N\n2nnc(c2OCC(=O)c2ccc(C)cc2)[*:1])cc1
CNC(=O)c1nnn(/N=C\c2ccc(C)cc2)c1OCC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNC(=O)c1nnn(N=C[*:1])c1OCC(=O)c1ccc(C)cc1
CNC(=O)c1nnn(/N=C\c2ccc(C)cc2)c1OCC(=O)c1ccc(C)cc1 Cc1ccc(cc1)C(=O)[*:1] CNC(=O)c1nnn(/N=C\c2ccc(C)cc2)c1OC[*:1]
CNC(=O)c1nnn(/N=C\c2ccc(C)cc2)c1OCC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNC(=O)c1nnn(/N=C\c2ccc(C)cc2)c1OCC(=O)[*:1]
CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCc3ccc(F)cc32)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
N#C/C(C(=O)N1CCN(Cc2ccccc2)CC1)=C1\C(=O)Nc2ccc(Br)cc21 c1ccc(cc1)[*:1] N#C/C(C(=O)N1CCN(CC1)C[*:1])=C1\C(=O)Nc2ccc(Br)cc21
N#C/C(C(=O)N1CCN(Cc2ccccc2)CC1)=C1\C(=O)Nc2ccc(Br)cc21 c1ccc(cc1)C[*:1] N#C/C(C(=O)N1CCN(CC1)[*:1])=C1\C(=O)Nc2ccc(Br)cc21
COCCN1C[C@@H](C(=O)OCc2nc(C)sc2C)CC1=O COCC[*:1] Cc1nc(COC(=O)[C@H]2CC(=O)N(C2)[*:1])c(C)s1
COCCN1C[C@@H](C(=O)OCc2nc(C)sc2C)CC1=O COC[*:1] Cc1nc(COC(=O)[C@H]2CC(=O)N(C2)C[*:1])c(C)s1
COCCN1C[C@@H](C(=O)OCc2nc(C)sc2C)CC1=O Cc1nc(c(C)s1)[*:1] COCCN1C[C@H](CC1=O)C(=O)OC[*:1]
CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCOc1ccccc1OCC(=O)NNC(=O)[*:1]
CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(C#N)cc1 CCO[*:1] N#Cc1ccc(cc1)C(=O)NNC(=O)COc1ccccc1[*:1]
Cc1csc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n1 Cc1csc(n1)[*:1] Cc1c(Cl)cnc(NC(=O)CS[*:1])c1Cl
N#C/C(C(=O)c1ccccc1)=C1/CCCCCN1 c1ccc(cc1)[*:1] N#C/C(C(=O)[*:1])=C1/CCCCCN1
CC(C)([NH3+])c1nc2ccc(Cl)cc2s1 CC(C)([NH3+])[*:1] Clc1ccc2nc(sc2c1)[*:1]
CCOCCCNC(=O)Nc1ccc(C(N)=O)c(C)c1 CCOCC[*:1] Cc1cc(ccc1C(N)=O)NC(=O)NC[*:1]
CCOCCCNC(=O)Nc1ccc(C(N)=O)c(C)c1 CCOCCC[*:1] Cc1cc(ccc1C(N)=O)NC(=O)N[*:1]
CCOCCCNC(=O)Nc1ccc(C(N)=O)c(C)c1 CCOC[*:1] Cc1cc(ccc1C(N)=O)NC(=O)NCC[*:1]
CCOCCCNC(=O)Nc1ccc(C(N)=O)c(C)c1 NC(=O)[*:1] CCOCCCNC(=O)Nc1ccc(c(C)c1)[*:1]
CCOCCCNC(=O)Nc1ccc(C(N)=O)c(C)c1 CCO[*:1] Cc1cc(ccc1C(N)=O)NC(=O)NCCC[*:1]
C#CCNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 C#CC[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NCCc1cccs1
C#CCNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 c1csc(c1)C[*:1] C#CCNC(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
C#CCNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 c1csc(c1)CC[*:1] C#CCNC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
C#CCNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 c1csc(c1)[*:1] C#CCNC(=O)c1ccc(cc1)S(=O)(=O)NCC[*:1]
C#CCNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 C#CCNC(=O)[*:1] O=S(=O)(NCCc1cccs1)c1ccc(cc1)[*:1]
C[C@H](SC[C@H](C)CO)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 C[C@H](CO)[*:1] C[C@H](SC[*:1])C(=O)N[C@@H](C)c1ccc2CCCCc2c1
C[C@H](SC[C@H](C)CO)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 C[C@H](CO)CS[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])c1ccc2CCCCc2c1
C[C@H](SC[C@H](C)CO)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 C[C@H](CO)C[*:1] C[C@H](S[*:1])C(=O)N[C@@H](C)c1ccc2CCCCc2c1
CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)c1 CCS(=O)(=O)N[*:1] CC(=O)N1N=C(C[C@H]1c1ccccc1)c1cccc(c1)[*:1]
CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)c1 c1ccc(cc1)[*:1] CCS(=O)(=O)Nc1cccc(c1)C1C[C@@H](N(N=1)C(C)=O)[*:1]
C[NH2+][C@H]1CCN([C@@H](C)c2cccs2)[C@@H](C)[C@@H]1C c1csc(c1)[*:1] C[NH2+][C@H]1CCN([C@@H](C)[C@@H]1C)[C@@H](C)[*:1]
COc1ccc(OC)c(-c2cc(C3CCN(c4[nH+]cccc4[N+](=O)[O-])CC3)[nH]n2)c1 O=[N+]([O-])[*:1] COc1ccc(OC)c(c1)-c1cc([nH]n1)C1CCN(CC1)c1[nH+]cccc1[*:1]
COc1ccc(OC)c(-c2cc(C3CCN(c4[nH+]cccc4[N+](=O)[O-])CC3)[nH]n2)c1 COc1ccc(OC)c(c1)[*:1] O=[N+]([O-])c1ccc[nH+]c1N1CCC(CC1)c1cc(n[nH]1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)NCc1nc2ccccc2n1C c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)NCc1nc2ccccc2n1C
C[C@@H](Sc1ccccn1)C(=O)NCc1nc2ccccc2n1C c1ccc(nc1)S[*:1] C[C@@H](C(=O)NCc1nc2ccccc2n1C)[*:1]
COc1cccc(N2CCC[C@@H](NC(=O)[C@@H](C)c3ccsc3)C2)c1 COc1cccc(c1)[*:1] C[C@H](C(=O)N[C@@H]1CCCN(C1)[*:1])c1ccsc1
COc1cccc(N2CCC[C@@H](NC(=O)[C@@H](C)c3ccsc3)C2)c1 c1cc(cs1)[*:1] COc1cccc(c1)N1CCC[C@H](C1)NC(=O)[C@@H](C)[*:1]
C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 C=CCNC(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1cccs1
C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 c1csc(c1)[*:1] C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[*:1]
C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 c1ccc(cc1)[*:1] C=CCNC(=O)[C@H](C[*:1])NC(=O)c1cccs1
C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 C=CC[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1cccs1
C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 c1ccc(cc1)C[*:1] C=CCNC(=O)[C@H](NC(=O)c1cccs1)[*:1]
CC(=O)c1ccc(NC(=O)N[C@H]2CCC[C@@H]3OCC[C@H]23)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@H]1CCC[C@@H]2OCC[C@H]12
O=S(=O)(c1ccc(Br)cc1)N1CCN=C1SCc1cccnc1 c1cncc(c1)[*:1] O=S(=O)(c1ccc(Br)cc1)N1CCN=C1SC[*:1]
O=S(=O)(c1ccc(Br)cc1)N1CCN=C1SCc1cccnc1 Brc1ccc(cc1)[*:1] O=S(=O)(N1CCN=C1SCc1cccnc1)[*:1]
O=S(=O)(c1ccc(Br)cc1)N1CCN=C1SCc1cccnc1 c1cncc(c1)C[*:1] O=S(=O)(c1ccc(Br)cc1)N1CCN=C1S[*:1]
C[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2C(C)(C)C)C[C@@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@@H](C)C(=O)Nc1ccccc1[*:1]
Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)c1nnc2n1CCC2 C1CN(CCO1)[*:1] Cc1nn(C)c(c1C[NH2+][C@@H](C)c1nnc2CCCn21)[*:1]
Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)c1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] Cc1nn(C)c(c1C[NH2+][C@@H](C)[*:1])N1CCOCC1
CCOc1ccccc1[C@H](CC)NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] CCOc1ccccc1[C@H](CC)NC(=O)N1CCC[C@@H]1[*:1]
CCOc1ccccc1[C@H](CC)NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C CCO[*:1] CC[C@H](NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)c1ccccc1[*:1]
CCOc1ccccc1[C@H](CC)NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C CCOc1ccccc1[*:1] CC[C@H](NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)[*:1]
CC(C)CNC(=O)CCNS(=O)(=O)c1cccs1 CC(C)[*:1] O=C(CCNS(=O)(=O)c1cccs1)NC[*:1]
CC(C)CNC(=O)CCNS(=O)(=O)c1cccs1 c1csc(c1)[*:1] CC(C)CNC(=O)CCNS(=O)(=O)[*:1]
CC(C)CNC(=O)CCNS(=O)(=O)c1cccs1 CC(C)C[*:1] O=C(CCNS(=O)(=O)c1cccs1)N[*:1]
CC[C@@](C)(NC(=O)c1cccc2ccccc12)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)c1cccc2ccccc12)[*:1]
CC(C)NC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 CC(C)[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(C)NC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 CC(C)[*:1] CC(C)NC(=O)c1cccc(c1)NC(=O)c1ccc(cc1)O[*:1]
CC(C)NC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 CC(C)NC(=O)[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
CC(C)NC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 CC(C)O[*:1] CC(C)NC(=O)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(-c2ccco2)n1CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C c1coc(c1)[*:1] COC(=O)c1ccc(n1CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[*:1]
COC(=O)c1ccc(-c2ccco2)n1CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C COC(=O)[*:1] C[C@@H]1CCC[C@H](NC(=O)Cn2c(ccc2[*:1])-c2ccco2)[C@@H]1C
O=C(Cn1cc[nH+]c1)Nc1cc([N+](=O)[O-])ccc1O O=[N+]([O-])[*:1] O=C(Cn1cc[nH+]c1)Nc1cc(ccc1O)[*:1]
Cc1cc(Cl)c2oc(C(=O)NCCc3csc(N)n3)c(C)c2c1 Nc1nc(cs1)[*:1] Cc1cc(Cl)c2oc(C(=O)NCC[*:1])c(C)c2c1
Cc1cc(Cl)c2oc(C(=O)NCCc3csc(N)n3)c(C)c2c1 Nc1nc(cs1)C[*:1] Cc1cc(Cl)c2oc(C(=O)NC[*:1])c(C)c2c1
Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 c1cncc(c1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)c1ccc(nn1)[*:1])-c1cccs1
Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 c1csc(c1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)c1ccc(nn1)-c1cccnc1)[*:1]
C=CCn1cc(CN2CC[NH+](C)C3(CCN(C(=O)OC(C)C)CC3)C2)cn1 C=CC[*:1] CC(C)OC(=O)N1CCC2(CC1)CN(CC[NH+]2C)Cc1cnn(c1)[*:1]
C=CCn1cc(CN2CC[NH+](C)C3(CCN(C(=O)OC(C)C)CC3)C2)cn1 CC(C)[*:1] C=CCn1cc(cn1)CN1CC[NH+](C)C2(CCN(CC2)C(=O)O[*:1])C1
C=CCn1cc(CN2CC[NH+](C)C3(CCN(C(=O)OC(C)C)CC3)C2)cn1 C=CCn1cc(cn1)[*:1] CC(C)OC(=O)N1CCC2(CC1)CN(CC[NH+]2C)C[*:1]
C=CCn1cc(CN2CC[NH+](C)C3(CCN(C(=O)OC(C)C)CC3)C2)cn1 C=CCn1cc(cn1)C[*:1] CC(C)OC(=O)N1CCC2(CC1)CN(CC[NH+]2C)[*:1]
C[C@H](NC(=O)c1cccnc1C(F)(F)F)c1ccc(Cl)s1 FC(F)(F)[*:1] C[C@H](NC(=O)c1cccnc1[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)c1cccnc1C(F)(F)F)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)c1cccnc1C(F)(F)F)[*:1]
O/N=C1\[C@H]2CC[C@H](C2)[C@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O/N=C1\[C@H]2CC[C@H](C2)[C@H]1[NH+]1CCN(CC1)[*:1]
CCC(CC)(NC(=O)Nc1c(C)n[nH]c1C)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)Nc1c(C)n[nH]c1C)[*:1]
CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)[*:1] CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(c1)O[*:1]
CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)O[*:1] CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(c1)[*:1]
CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(Oc2cnccn2)c1 CC(C)[*:1] O=C(Nc1cc(F)ccc1N[*:1])c1cccc(c1)Oc1cnccn1
CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(Oc2cnccn2)c1 CC(C)N[*:1] O=C(Nc1cc(F)ccc1[*:1])c1cccc(c1)Oc1cnccn1
CC(=O)N1CC[C@@H](C(=O)OCc2nnc(-c3ccccc3)o2)C1 c1ccc(cc1)[*:1] CC(=O)N1CC[C@H](C1)C(=O)OCc1nnc(o1)[*:1]
O=C1c2ccccc2S(=O)(=O)N1C[C@@H](c1ccco1)[NH+]1CCCCC1 c1coc(c1)[*:1] O=C1c2ccccc2S(=O)(=O)N1C[C@@H]([NH+]1CCCCC1)[*:1]
CC(C)C[C@H](C)CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CC(C)C[*:1] C[C@H](CC(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CC(C)C[C@H](C)CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CC(C)C[C@H](C)C[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CC(C)C[C@H](C)CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CC(C)C[C@H](C)[*:1] O=C(C[*:1])NCC1CCN(CC1)c1cc[nH+]cc1
CC(C)C[C@H](C)CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CC(C)[*:1] C[C@H](CC(=O)NCC1CCN(CC1)c1cc[nH+]cc1)C[*:1]
C[C@@H]1SCCC[C@@]1(CC(=O)[O-])[NH+]1CCCC1 O=C([O-])C[*:1] C[C@@H]1SCCC[C@]1([NH+]1CCCC1)[*:1]
C[C@@H]1SCCC[C@@]1(CC(=O)[O-])[NH+]1CCCC1 O=C([O-])[*:1] C[C@@H]1SCCC[C@@]1(C[*:1])[NH+]1CCCC1
CCCN1CCO[C@H]([C@H]([NH2+]C)c2ccc(F)c(F)c2)C1 CCC[*:1] C[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H]1CN(CCO1)[*:1]
Cc1nc2c3ccccc3nc(S[C@H](C)c3ccccc3)n2n1 c1ccc(cc1)[*:1] Cc1nc2c3ccccc3nc(S[C@H](C)[*:1])n2n1
Cc1ccccc1N1C(=O)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 Clc1ccc(cc1)[*:1] Cc1ccccc1N1C(=O)N([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
Cc1ccccc1N1C(=O)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 Cc1ccccc1[*:1] O=C1N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
C[C@@H](Sc1nnc(-c2ccccc2Br)n1N)C(=O)N[C@H]1CCCC[C@H]1C Brc1ccccc1[*:1] C[C@@H](Sc1nnc(n1N)[*:1])C(=O)N[C@H]1CCCC[C@H]1C
C[C@@H](Sc1nnc(-c2ccccc2Br)n1N)C(=O)N[C@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@@H]1[*:1] C[C@@H](Sc1nnc(-c2ccccc2Br)n1N)C(=O)N[*:1]
COc1ccnc(N2CCN(C(=O)[C@H](C)CCc3cccc(F)c3)CC2)n1 Fc1cccc(c1)CC[*:1] COc1ccnc(n1)N1CCN(CC1)C(=O)[C@H](C)[*:1]
COc1ccnc(N2CCN(C(=O)[C@H](C)CCc3cccc(F)c3)CC2)n1 COc1ccnc(n1)[*:1] C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(CC1)[*:1]
COc1ccnc(N2CCN(C(=O)[C@H](C)CCc3cccc(F)c3)CC2)n1 Fc1cccc(c1)[*:1] COc1ccnc(n1)N1CCN(CC1)C(=O)[C@H](C)CC[*:1]
COc1ccnc(N2CCN(C(=O)[C@H](C)CCc3cccc(F)c3)CC2)n1 Fc1cccc(c1)C[*:1] COc1ccnc(n1)N1CCN(CC1)C(=O)[C@H](C)C[*:1]
Cc1ccc2ncc(C(=O)NCc3nc(-c4ccncc4)cs3)n2c1 c1cc(ccn1)[*:1] Cc1ccc2ncc(C(=O)NCc3nc(cs3)[*:1])n2c1
CCOc1cccc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 CCOc1cccc(c1)[*:1] Cc1cc(C(=O)C(C#N)=C[*:1])c(C)n1CC(F)(F)F
CCOc1cccc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 CCO[*:1] Cc1cc(C(=O)/C(C#N)=C/c2cccc(c2)[*:1])c(C)n1CC(F)(F)F
CCOc1cccc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 FC(F)(F)[*:1] CCOc1cccc(/C=C(\C#N)C(=O)c2cc(C)n(C[*:1])c2C)c1
CCOc1cccc(/C=C(\C#N)C(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 FC(F)(F)C[*:1] CCOc1cccc(/C=C(\C#N)C(=O)c2cc(C)n(c2C)[*:1])c1
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1 c1ccc(cc1)[*:1] CCN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1ccc(cc1)C(=O)[O-]
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1 O=C([O-])[*:1] CCN1C(=O)C[C@H](S/C1=N\c1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1 O=C([O-])c1ccc(cc1)[*:1] CCN1C(=O)C[C@H](S/C1=N\c1ccccc1)C(=O)N[*:1]
Cc1cccc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)c1 Cc1cccc(c1)N[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1cccc(Cl)c1
Cc1cccc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)c1 Cc1cccc(c1)[*:1] Nc1c(ncnc1N[*:1])NNC(=O)c1cccc(Cl)c1
Cc1cccc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)Nc1ncnc(NNC(=O)[*:1])c1N
COC(=O)[C@@](O)(CC(=O)Nc1ccccc1C)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@@](O)(CC(=O)Nc1ccccc1C)[*:1]
COC(=O)[C@@](O)(CC(=O)Nc1ccccc1C)C(F)(F)F COC(=O)[*:1] Cc1ccccc1NC(=O)C[C@](O)(C(F)(F)F)[*:1]
COC(=O)[C@@](O)(CC(=O)Nc1ccccc1C)C(F)(F)F Cc1ccccc1[*:1] COC(=O)[C@@](O)(CC(=O)N[*:1])C(F)(F)F
CCC[NH2+][C@@H](c1ccnn1C)C1(N(C)C)CCCCC1 Cn1nccc1[*:1] CCC[NH2+][C@@H](C1(CCCCC1)N(C)C)[*:1]
CCC[NH2+][C@@H](c1ccnn1C)C1(N(C)C)CCCCC1 CN(C)[*:1] CCC[NH2+][C@@H](c1ccnn1C)C1(CCCCC1)[*:1]
CCC[NH2+][C@@H](c1ccnn1C)C1(N(C)C)CCCCC1 CCC[*:1] CN(C)C1(CCCCC1)[C@@H]([NH2+][*:1])c1ccnn1C
O[C@H]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2N2CCCC2)C1 C1CCN(C1)[*:1] O[C@H]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2[*:1])C1
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3ccccc3)CC2)cc1 O=C(NCc1ccccc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)CC(=O)N[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3ccccc3)CC2)cc1 CC(=O)N[*:1] O=C(CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1])NCc1ccccc1
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3ccccc3)CC2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(CC1CCN(CC1)S(=O)(=O)[*:1])NCc1ccccc1
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)CC(=O)NC[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 Cc1ccc(cc1Br)[*:1] CC[C@@H](C)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 CC[C@@H](C)NS(=O)(=O)[*:1] Cc1ccc(cc1Br)C(=O)Nc1ccc(cc1)[*:1]
COc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc(Cl)sc3Cl)nc12 c1cncc(c1)[*:1] COc1cccc2sc(nc12)N(C[*:1])C(=O)c1cc(Cl)sc1Cl
COc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc(Cl)sc3Cl)nc12 c1cncc(c1)C[*:1] COc1cccc2sc(nc12)N(C(=O)c1cc(Cl)sc1Cl)[*:1]
COc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc(Cl)sc3Cl)nc12 Clc1cc(c(Cl)s1)[*:1] COc1cccc2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
Cc1nnc(SCC(=O)N[C@H](CC(C)C)c2ncnn2C)s1 Cc1nnc(s1)[*:1] CC(C)C[C@@H](NC(=O)CS[*:1])c1ncnn1C
Cc1nnc(SCC(=O)N[C@H](CC(C)C)c2ncnn2C)s1 Cc1nnc(S[*:1])s1 CC(C)C[C@@H](NC(=O)C[*:1])c1ncnn1C
Cc1nnc(SCC(=O)N[C@H](CC(C)C)c2ncnn2C)s1 CC(C)C[*:1] Cc1nnc(SCC(=O)N[C@H](c2ncnn2C)[*:1])s1
Cc1nnc(SCC(=O)N[C@H](CC(C)C)c2ncnn2C)s1 Cn1ncnc1[*:1] Cc1nnc(SCC(=O)N[C@H](CC(C)C)[*:1])s1
Cc1nnc(SCC(=O)N[C@H](CC(C)C)c2ncnn2C)s1 CC(C)[*:1] Cc1nnc(SCC(=O)N[C@H](C[*:1])c2ncnn2C)s1
c1ccc(CCN(Cc2c[nH]c[nH+]2)[C@H]2CCOC2)cc1 C1C[C@@H](CO1)[*:1] c1ccc(cc1)CCN(Cc1c[nH]c[nH+]1)[*:1]
c1ccc(CCN(Cc2c[nH]c[nH+]2)[C@H]2CCOC2)cc1 c1ccc(cc1)[*:1] c1[nH]cc(CN(CC[*:1])[C@H]2CCOC2)[nH+]1
CCOc1ccc(NC(=S)N/N=C2\C3CN4CCN(C3)CC2(CC)C4)cc1 CCO[*:1] CCC12CN3CCN(CC(C3)/C1=N\NC(=S)Nc1ccc(cc1)[*:1])C2
CCOc1ccc(NC(=S)N/N=C2\C3CN4CCN(C3)CC2(CC)C4)cc1 CCOc1ccc(cc1)[*:1] CCC12CN3CCN(CC(C3)/C1=N\NC(=S)N[*:1])C2
CC1(C)CCc2ccccc2[C@@H]1NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CC1(C)CCc2ccccc2[C@@H]1NCC(=O)N1CCc2cc(ccc21)[*:1]
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(C)c2)n2nc(CCCO)nc2N1 OCC[*:1] CC1Nc2nc(C[*:1])nn2[C@@H](C=1C(=O)Nc1ccc(F)cc1)c1cccc(C)c1
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(C)c2)n2nc(CCCO)nc2N1 OCCC[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)Nc1ccc(F)cc1)c1cccc(C)c1)[*:1]
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(C)c2)n2nc(CCCO)nc2N1 O=C(Nc1ccc(F)cc1)[*:1] CC1Nc2nc(CCCO)nn2[C@@H](C=1[*:1])c1cccc(C)c1
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(C)c2)n2nc(CCCO)nc2N1 Cc1cccc(c1)[*:1] CC1Nc2nc(CCCO)nn2[C@H](C=1C(=O)Nc1ccc(F)cc1)[*:1]
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(C)c2)n2nc(CCCO)nc2N1 Fc1ccc(cc1)[*:1] CC1Nc2nc(CCCO)nn2[C@@H](C=1C(=O)N[*:1])c1cccc(C)c1
CCNC(=O)COC(=O)/C=C/c1ccccc1Cl CCNC(=O)C[*:1] O=C(/C=C/c1ccccc1Cl)O[*:1]
CCNC(=O)COC(=O)/C=C/c1ccccc1Cl CCNC(=O)[*:1] O=C(/C=C/c1ccccc1Cl)OC[*:1]
COc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(C=O)CC4)cc3C2=O)cc1 COc1ccc(cc1)[*:1] O=CN1CCN(CC1)C(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccc(cc1)C[NH+]1CCOCC1)c1ccc(cc1Cl)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)CSc1nnnn1C1CCCC1 C1CCC(C1)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)CSc1nnnn1[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)CSc1nnnn1C1CCCC1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)CSc1nnnn1C1CCCC1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)CSc1nnnn1C1CCCC1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)CSc1nnnn1C1CCCC1
COc1ccc(C2=C(O)C(=O)N(Cc3ccc(SC)cc3)[C@@H]2c2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)C1=C(O)C(=O)N(Cc2ccc(cc2)SC)[C@H]1[*:1]
COc1ccc(C2=C(O)C(=O)N(Cc3ccc(SC)cc3)[C@@H]2c2ccccc2F)cc1 CSc1ccc(cc1)C[*:1] COc1ccc(cc1)C1=C(O)C(=O)N([C@@H]1c1ccccc1F)[*:1]
COc1ccc(C2=C(O)C(=O)N(Cc3ccc(SC)cc3)[C@@H]2c2ccccc2F)cc1 COc1ccc(cc1)[*:1] CSc1ccc(cc1)CN1C(=O)C(O)=C([C@H]1c1ccccc1F)[*:1]
COc1ccc(C2=C(O)C(=O)N(Cc3ccc(SC)cc3)[C@@H]2c2ccccc2F)cc1 CSc1ccc(cc1)[*:1] COc1ccc(cc1)C1=C(O)C(=O)N(C[*:1])[C@@H]1c1ccccc1F
C=CCN1C(=O)N=C(N)[C@]12CCS(=O)(=O)C2 C=CC[*:1] NC1=NC(=O)N([C@@]12CCS(=O)(=O)C2)[*:1]
O=C(NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)o1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CC[NH+](CC1)C[*:1])c1ccc(Br)o1
O=C(NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)o1 c1ccc(cc1)C[*:1] O=C(NCC(=O)N1CC[NH+](CC1)[*:1])c1ccc(Br)o1
O=C(NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(CNC(=O)[*:1])N1CC[NH+](CC1)Cc1ccccc1
Cc1cc2c(cc1C)O[C@H](C(=O)NCCc1n[nH]c(=S)n1C)C2 Cn1c(n[nH]c1=S)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)NCC[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2cn(C)nc2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@@H](C)c1cn(C)nc1C
Cc1ccc(C(=O)N[C@@H](C)c2cn(C)nc2C)cc1[N+](=O)[O-] Cc1nn(C)cc1[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N[C@@H](C)[*:1]
CC(C)[C@@H](C)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 CC(C)[*:1] C[C@@H](NC(=O)Nc1ccc2nc(oc2c1)C1CC1)[*:1]
CC(C)[C@@H](C)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 CC(C)[C@@H](C)[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)N[*:1]
CC(C)[C@@H](C)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] CC(C)[C@@H](C)NC(=O)Nc1ccc2nc(oc2c1)[*:1]
Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3O)nc2c1 Clc1cccc(c1)[*:1] Cc1ccc2oc(nc2c1)-c1cc(ccc1O)NC(=S)NC(=O)[*:1]
Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3O)nc2c1 Cc1ccc2oc(nc2c1)[*:1] O=C(NC(=S)Nc1ccc(O)c(c1)[*:1])c1cccc(Cl)c1
CC(C)CC[C@]1(C[NH3+])CCC(C)(C)[C@H]1O CC(C)[*:1] CC1(C)CC[C@@](C[NH3+])(CC[*:1])[C@@H]1O
CC(C)CC[C@]1(C[NH3+])CCC(C)(C)[C@H]1O CC(C)C[*:1] CC1(C)CC[C@@](C[NH3+])(C[*:1])[C@@H]1O
CC(C)CC[C@]1(C[NH3+])CCC(C)(C)[C@H]1O CC(C)CC[*:1] CC1(C)CC[C@@](C[NH3+])([C@@H]1O)[*:1]
N#Cc1cccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)c1 C1CC1[*:1] N#Cc1cccc(c1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)N3CCNC3=O)CC2=O)cc1 CCO[*:1] O=C(OCC(=O)N1CCNC1=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)N3CCNC3=O)CC2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(OCC(=O)N1CCNC1=O)[C@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)N3CCNC3=O)CC2=O)cc1 O=C(C[*:1])N1CCNC1=O CCOc1ccc(cc1)N1C[C@H](CC1=O)C(=O)O[*:1]
CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)N3CCNC3=O)CC2=O)cc1 O=C1NCCN1C(=O)[*:1] CCOc1ccc(cc1)N1C[C@H](CC1=O)C(=O)OC[*:1]
COc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2csc3nc(C)cc(=O)n23)c1 COc1ccc(F)cc1[*:1] Cc1cc(=O)n2c(csc2n1)-c1cccc(c1)NS(=O)(=O)[*:1]
Cc1cc(C)c(-c2csc(NC(=O)CC3=c4ccccc4=[NH+]C3)n2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CC1C[NH+]=c2ccccc2=1)Nc1nc(cs1)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(C)o2)c1C Cc1ccc(o1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(C)o2)c1C COC(=O)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)c1[nH]c(C)c(c1C)[*:1]
COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(CC1)C(=O)[*:1]
COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)C(C)(C)C)CC1 COc1ccccc1[*:1] Cn1cc(C(=O)NC[*:1])c(CC2CCN(CC2)C(=O)C(C)(C)C)n1
COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)C(C)(C)C)CC1 COc1ccccc1C[*:1] Cn1cc(C(=O)N[*:1])c(CC2CCN(CC2)C(=O)C(C)(C)C)n1
COC(=O)c1ccc(N2C(=O)C=C(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)N1C(=O)C=C(C1=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(N2C(=O)C=C(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 COC(=O)[*:1] O=C1C=C(C(=O)N1c1ccc(cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O Clc1ccccc1[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O)[*:1]
C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O N#Cc1ccccc1[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1Cl
COc1ccc(COCCCC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 COc1ccc(cc1)[*:1] O=C(CCCOC[*:1])N1CCC[C@H]2CCC[C@@H]21
c1csc(CN2CCCN(c3ccc(Cn4cc[nH+]c4)cn3)CC2)c1 c1csc(c1)C[*:1] c1cn(c[nH+]1)Cc1ccc(nc1)N1CCCN(CC1)[*:1]
c1csc(CN2CCCN(c3ccc(Cn4cc[nH+]c4)cn3)CC2)c1 c1csc(c1)[*:1] c1cn(c[nH+]1)Cc1ccc(nc1)N1CCCN(CC1)C[*:1]
CCCCNc1nc2cc(F)ccc2s1 CCC[*:1] Fc1ccc2sc(nc2c1)NC[*:1]
CCCCNc1nc2cc(F)ccc2s1 CCCCN[*:1] Fc1ccc2sc(nc2c1)[*:1]
CCCCNc1nc2cc(F)ccc2s1 CCCC[*:1] Fc1ccc2sc(nc2c1)N[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 c1cc(ccn1)[*:1] CC[C@H](N(C)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
CCOC(=O)C1=C(C)[C@@H](C(=O)NCC(C)C)C(C)=N1 CC(C)[*:1] CCOC(=O)C1N=C(C)[C@H](C(=O)NC[*:1])C=1C
CCOC(=O)C1=C(C)[C@@H](C(=O)NCC(C)C)C(C)=N1 CCOC(=O)[*:1] CC1=NC(=C(C)[C@H]1C(=O)NCC(C)C)[*:1]
CCOC(=O)C1=C(C)[C@@H](C(=O)NCC(C)C)C(C)=N1 CC(C)C[*:1] CCOC(=O)C1N=C(C)[C@H](C(=O)N[*:1])C=1C
O=C(Nc1cccc(-n2cnnn2)c1)c1ccc2nccnc2c1 c1nnnn1[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2nccnc2c1
CC(C)NC(=O)Nc1ccc(CNC(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1 CC(C)[*:1] C[C@@H](c1cccc(O)c1)N(C)C(=O)NCc1ccc(cc1)NC(=O)N[*:1]
CC(C)NC(=O)Nc1ccc(CNC(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1 CC(C)NC(=O)N[*:1] C[C@@H](c1cccc(O)c1)N(C)C(=O)NCc1ccc(cc1)[*:1]
CC(C)NC(=O)Nc1ccc(CNC(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1 Oc1cccc(c1)[*:1] CC(C)NC(=O)Nc1ccc(cc1)CNC(=O)N(C)[C@@H](C)[*:1]
C[NH+](Cc1c[nH]nc1-c1ccccc1F)CC1CCOCC1 C1CC(CCO1)C[*:1] C[NH+](Cc1c[nH]nc1-c1ccccc1F)[*:1]
C[NH+](Cc1c[nH]nc1-c1ccccc1F)CC1CCOCC1 Fc1ccccc1[*:1] C[NH+](Cc1c[nH]nc1[*:1])CC1CCOCC1
C[NH+](Cc1c[nH]nc1-c1ccccc1F)CC1CCOCC1 C1CC(CCO1)[*:1] C[NH+](Cc1c[nH]nc1-c1ccccc1F)C[*:1]
Cc1ccccc1Cc1cnc(NC(=O)c2cnccn2)s1 c1cnc(cn1)[*:1] Cc1ccccc1Cc1cnc(NC(=O)[*:1])s1
Cc1ccccc1Cc1cnc(NC(=O)c2cnccn2)s1 Cc1ccccc1[*:1] O=C(Nc1ncc(C[*:1])s1)c1cnccn1
CC[C@@H](NC(=O)N[C@@H]1COc2ccccc21)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@@H](NC(=O)N[C@@H]1COc2ccccc21)[*:1]
NC(=O)c1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)C(=O)OCC(=O)[*:1]
NC(=O)c1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 NC(=O)[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])c1ccc(F)cc1
C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)c1ccc2c(c1)OCCO2 O=c1[nH]c2ccc(cc2[nH]1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)NS(=O)(=O)[*:1])c1ccc2OCCOc2c1
C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C[C@@H](NC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[*:1]
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CCCC(C)(C)C CC(C)(C)CC[*:1] C[C@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)C[*:1]
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CCCC(C)(C)C CC(C)(C)[*:1] C[C@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)CCC[*:1]
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CCCC(C)(C)C CC(C)(C)C[*:1] C[C@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)CC[*:1]
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CCCC(C)(C)C CC(C)(C)CCC[*:1] C[C@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)[*:1]
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CCCC(C)(C)C C[S@@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)CCCC(C)(C)C
CCc1nc(CNc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)no1 CCc1nc(no1)[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(cc1Cl)NC[*:1]
CCc1nc(CNc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)no1 CCc1nc(C[*:1])no1 C[C@@H]1CCCCN1C(=O)c1ccc(cc1Cl)N[*:1]
O=C(c1cnc(NCc2ccsc2)c(Cl)c1)N1CCOCC1 c1cc(cs1)CN[*:1] O=C(c1cnc(c(Cl)c1)[*:1])N1CCOCC1
O=C(c1cnc(NCc2ccsc2)c(Cl)c1)N1CCOCC1 c1cc(cs1)C[*:1] O=C(c1cnc(N[*:1])c(Cl)c1)N1CCOCC1
O=C(c1cnc(NCc2ccsc2)c(Cl)c1)N1CCOCC1 c1cc(cs1)[*:1] O=C(c1cnc(NC[*:1])c(Cl)c1)N1CCOCC1
CCOC(=O)c1ccc(NC(=O)N(CC)CCO)cc1 OCC[*:1] CCOC(=O)c1ccc(cc1)NC(=O)N(CC)[*:1]
CCOC(=O)c1ccc(NC(=O)N(CC)CCO)cc1 CCOC(=O)[*:1] CCN(CCO)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCCCOc1ccc(F)cc1)N[C@@H]1C=C[C@H](CO)C1 Fc1ccc(cc1)[*:1] O=C(NCCCO[*:1])N[C@@H]1C=C[C@H](CO)C1
O=C(NC1CCN(C(=O)CSc2cccs2)CC1)c1ccccc1 c1csc(c1)[*:1] O=C(NC1CCN(CC1)C(=O)CS[*:1])c1ccccc1
O=C(NC1CCN(C(=O)CSc2cccs2)CC1)c1ccccc1 c1csc(c1)SC[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])c1ccccc1
O=C(NC1CCN(C(=O)CSc2cccs2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1cccs1)N1CCC(CC1)NC(=O)[*:1]
O=C(NC1CCN(C(=O)CSc2cccs2)CC1)c1ccccc1 c1csc(c1)S[*:1] O=C(NC1CCN(CC1)C(=O)C[*:1])c1ccccc1
C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)Cc1nccn1C(F)F FC(F)n1ccnc1[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)C[*:1]
C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)Cc1nccn1C(F)F FC(F)[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)Cc1nccn1[*:1]
Cc1cc(=O)c(C(=O)NCC[C@@H]2C[C@H]3CC[C@@H]2C3)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1nc2ccc(cc2s1)[N+](=O)[O-])[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CC(=O)N(c2ccccc2)C1 O=[N+]([O-])[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
CC[NH2+][C@@H](C(C)C)[C@](C)(CC)[NH+]1CCCCC1 CC(C)[*:1] CC[NH2+][C@@H]([C@](C)(CC)[NH+]1CCCCC1)[*:1]
O=C(CCC(F)(F)F)N[C@@H]1CCN(c2ccccc2Br)C1 FC(F)(F)C[*:1] O=C(C[*:1])N[C@@H]1CCN(C1)c1ccccc1Br
O=C(CCC(F)(F)F)N[C@@H]1CCN(c2ccccc2Br)C1 Brc1ccccc1[*:1] O=C(CCC(F)(F)F)N[C@@H]1CCN(C1)[*:1]
O=C(CCC(F)(F)F)N[C@@H]1CCN(c2ccccc2Br)C1 FC(F)(F)[*:1] O=C(CC[*:1])N[C@@H]1CCN(C1)c1ccccc1Br
O=C(CCC(F)(F)F)N[C@@H]1CCN(c2ccccc2Br)C1 FC(F)(F)CC[*:1] O=C(N[C@@H]1CCN(C1)c1ccccc1Br)[*:1]
COc1cc(CNC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])CNC(=O)Nc1ccc2C(=O)N(C)C(=O)c2c1
COc1cc(CNC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])CNC(=O)Nc1ccc2C(=O)N(C)C(=O)c2c1
COc1cc(CNC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])CNC(=O)Nc1ccc2C(=O)N(C)C(=O)c2c1
Cc1nn2cc(C(=O)Nc3ccccc3CC(=O)Nc3ccccc3C)nc2s1 Cc1ccccc1[*:1] Cc1nn2cc(nc2s1)C(=O)Nc1ccccc1CC(=O)N[*:1]
O=C(Nc1ccccc1N1CCCC1)c1cc2ccccc2oc1=O C1CCN(C1)[*:1] O=C(Nc1ccccc1[*:1])c1cc2ccccc2oc1=O
COc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccncc4)n3C)[C@@H](c3ccco3)C2)cc1 COc1ccc(cc1)[*:1] Cn1c(nnc1-c1ccncc1)SCC(=O)N1N=C(C[C@@H]1c1ccco1)[*:1]
COc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccncc4)n3C)[C@@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C1C[C@H](N(N=1)C(=O)CSc1nnc(-c2ccncc2)n1C)[*:1]
COc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccncc4)n3C)[C@@H](c3ccco3)C2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)CSc1nnc(n1C)[*:1]
C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)c1nnc(-c2ccccc2)o1 C1CO[C@H](C1)C[*:1] C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1[*:1])c1nnc(o1)-c1ccccc1
C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)c1nnc(-c2ccccc2)o1 C1CO[C@H](C1)[*:1] C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[*:1])c1nnc(o1)-c1ccccc1
C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)c1nnc(o1)[*:1]
O=C(NCCSC1=c2ccccc2=[NH+][C@H]1c1ccc(F)cc1)c1cccs1 O=C(NC[*:1])c1cccs1 Fc1ccc(cc1)[C@@H]1[NH+]=c2ccccc2=C1SC[*:1]
O=C(NCCSC1=c2ccccc2=[NH+][C@H]1c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(NCCSC1=c2ccccc2=[NH+][C@@H]1[*:1])c1cccs1
O=C(NCCSC1=c2ccccc2=[NH+][C@H]1c1ccc(F)cc1)c1cccs1 O=C(N[*:1])c1cccs1 Fc1ccc(cc1)[C@@H]1[NH+]=c2ccccc2=C1SCC[*:1]
O=C(NCCSC1=c2ccccc2=[NH+][C@H]1c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] O=C(NCCSC1=c2ccccc2=[NH+][C@H]1c1ccc(F)cc1)[*:1]
COc1ccc([C@H](C)[NH2+][C@@H](C)C2CCC2)cc1Cn1cccn1 c1cnn(c1)[*:1] COc1ccc(cc1C[*:1])[C@H](C)[NH2+][C@@H](C)C1CCC1
COc1ccc([C@H](C)[NH2+][C@@H](C)C2CCC2)cc1Cn1cccn1 C1CC(C1)[*:1] COc1ccc(cc1Cn1cccn1)[C@H](C)[NH2+][C@@H](C)[*:1]
COc1ccc([C@H](C)[NH2+][C@@H](C)C2CCC2)cc1Cn1cccn1 c1cnn(c1)C[*:1] COc1ccc(cc1[*:1])[C@H](C)[NH2+][C@@H](C)C1CCC1
Cc1ccc(CNC(=O)CSc2nncn2Cc2ccco2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nncn1Cc1ccco1)NC[*:1]
Cc1ccc(CNC(=O)CSc2nncn2Cc2ccco2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)CNC(=O)CSc1nncn1[*:1]
Cc1ccc(CNC(=O)CSc2nncn2Cc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CNC(=O)CSc1nncn1C[*:1]
Cc1ccc(CNC(=O)CSc2nncn2Cc2ccco2)cc1 Cc1ccc(cc1)C[*:1] O=C(CSc1nncn1Cc1ccco1)N[*:1]
Cc1nc(Nc2ccc(C(=O)[O-])cc2)c2c(C)c(C)sc2n1 O=C([O-])[*:1] Cc1nc(Nc2ccc(cc2)[*:1])c2c(C)c(C)sc2n1
CC[C@H]1C(=O)NC(=O)CN1c1ccc(C#N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H]1C(=O)NC(=O)CN1c1ccc(C#N)c(c1)[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCc2ccccc21 c1coc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N[C@H]1CCCc2ccccc21
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCc2ccccc21 CC(C)[*:1] O=C(N[C@H](C(=O)N[C@H]1CCCc2ccccc21)[*:1])c1ccco1
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCc2ccccc21 O=C(N[*:1])c1ccco1 CC(C)[C@H](C(=O)N[C@H]1CCCc2ccccc21)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 FC(F)(F)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](C[S@@](=O)c2ccc(Cl)c(Cl)c2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H](C1)C[S@@](=O)c1ccc(Cl)c(Cl)c1
C[C@@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)NC(=O)CN1C(=O)c2ccccc2C1=O O=C1c2ccccc2C(=O)N1[*:1] C[C@@H](CNC(=O)C[*:1])NC(=O)CN1C(=O)c2ccccc2C1=O
C[C@@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)NC(=O)CN1C(=O)c2ccccc2C1=O O=C1c2ccccc2C(=O)N1[*:1] C[C@@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)NC(=O)C[*:1]
O=C([O-])c1sccc1[S@](=O)O O=[S@](O)[*:1] O=C([O-])c1sccc1[*:1]
O=C([O-])c1sccc1[S@](=O)O O=C([O-])[*:1] O=[S@](O)c1ccsc1[*:1]
COc1ccc(-c2csc(NC(=O)NC[C@@H]3CCCO3)n2)cc1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)NC[*:1]
COc1ccc(-c2csc(NC(=O)NC[C@@H]3CCCO3)n2)cc1 C1CO[C@@H](C1)C[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)N[*:1]
C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)C[*:1]
Cc1nc(-c2cccc(NC(=O)[C@@H]3CCO[C@@H]3C)c2)no1 Cc1nc(no1)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1cccc(c1)[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)Cn1ccc(=O)[nH]c1=O CC(C)[*:1] CNC(=O)[C@H](C[*:1])NC(=O)Cn1ccc(=O)[nH]c1=O
CNC(=O)[C@H](CC(C)C)NC(=O)Cn1ccc(=O)[nH]c1=O CC(C)C[*:1] CNC(=O)[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)Cn1ccc(=O)[nH]c1=O CNC(=O)[*:1] CC(C)C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)[*:1]
O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 Fc1cccc(c1)C[*:1] O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N(C[C@@H]1CCCO1)[*:1]
O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 Fc1cccc(c1)[*:1] O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N(C[C@@H]1CCCO1)C[*:1]
CCO[C@@H](C)c1nc(=O)c(-c2ccc(C)cc2)c([O-])[nH]1 CCO[*:1] Cc1ccc(cc1)-c1c([O-])[nH]c(nc1=O)[C@H](C)[*:1]
CCO[C@@H](C)c1nc(=O)c(-c2ccc(C)cc2)c([O-])[nH]1 CCO[C@@H](C)[*:1] Cc1ccc(cc1)-c1c([O-])[nH]c(nc1=O)[*:1]
CC(C)[C@H]1CN(C(=O)c2ccnn2C)CCC(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CC(C)[C@H]1CN(CCC(=O)N1[*:1])C(=O)c1ccnn1C
CC(C)[C@H]1CN(C(=O)c2ccnn2C)CCC(=O)N1Cc1ccc(F)cc1 Cn1nccc1[*:1] CC(C)[C@H]1CN(CCC(=O)N1Cc1ccc(F)cc1)C(=O)[*:1]
CC(C)[C@H]1CN(C(=O)c2ccnn2C)CCC(=O)N1Cc1ccc(F)cc1 CC(C)[*:1] Cn1nccc1C(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C1)[*:1]
CC(C)[C@H]1CN(C(=O)c2ccnn2C)CCC(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@H]1CN(CCC(=O)N1C[*:1])C(=O)c1ccnn1C
CN(Cc1ccc(Cl)s1)C[C@@H](O)c1ccc(F)c(F)c1 Clc1ccc(s1)[*:1] CN(C[C@@H](O)c1ccc(F)c(F)c1)C[*:1]
CC[C@@H](C)N(Cc1c[nH]c2ccccc12)C(=S)Nc1cccc(C)c1 Cc1cccc(c1)[*:1] CC[C@@H](C)N(Cc1c[nH]c2ccccc12)C(=S)N[*:1]
O=C(CN1CC[NH+](Cc2cccc(O)c2)CC1)Nc1ccncc1 Oc1cccc(c1)C[*:1] O=C(CN1CC[NH+](CC1)[*:1])Nc1ccncc1
O=C(CN1CC[NH+](Cc2cccc(O)c2)CC1)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(CN1CC[NH+](CC1)Cc1cccc(O)c1)N[*:1]
O=C(CN1CC[NH+](Cc2cccc(O)c2)CC1)Nc1ccncc1 Oc1cccc(c1)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])Nc1ccncc1
CN(C)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c[nH+]1 CN(C)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc([nH+]c1)[*:1]
CN(C)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c[nH+]1 O=[N+]([O-])[*:1] CN(C)c1ccc(c[nH+]1)[N-]S(=O)(=O)c1ccccc1[*:1]
NC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1 O=C(NC1CCCC1)N[*:1] NC(=O)c1ccccc1NC(=O)Cc1csc(n1)[*:1]
NC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1 C1CCC(C1)[*:1] NC(=O)c1ccccc1NC(=O)Cc1csc(n1)NC(=O)N[*:1]
NC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1 NC(=O)c1ccccc1[*:1] O=C(Cc1csc(n1)NC(=O)NC1CCCC1)N[*:1]
NC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1 NC(=O)[*:1] O=C(Cc1csc(n1)NC(=O)NC1CCCC1)Nc1ccccc1[*:1]
C=CCNC(=S)N/N=C1\C2CN3CCN(C2)CC1(C(C)C)C3 CC(C)[*:1] C=CCNC(=S)N/N=C1\C2CN3CCN(C2)CC1(C3)[*:1]
C=CCNC(=S)N/N=C1\C2CN3CCN(C2)CC1(C(C)C)C3 C=CC[*:1] CC(C)C12CN3CCN(CC(C3)/C1=N\NC(=S)N[*:1])C2
O=C(c1c(F)cccc1F)N1CCN(Cc2cnc3ccccn23)CC1 Fc1cccc(F)c1[*:1] O=C(N1CCN(CC1)Cc1cnc2ccccn12)[*:1]
Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)N1CCOCC1
Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C)c1 O=S(=O)(N1CCOCC1)[*:1] Cc1cc(C)c(NC(=O)c2cc(ccc2C)[*:1])c(C)c1
C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(F)cc1Cl c1ccc(cc1)[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)Nc1ccc(F)cc1Cl
C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] C[C@@H](Sc1nc(n[nH]1)-c1ccccc1)C(=O)N[*:1]
CCc1ccc(C(=O)NNC(=O)N[C@H](C)c2ccccc2C)cc1 CCc1ccc(cc1)[*:1] Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)[*:1]
CCc1ccc(C(=O)NNC(=O)N[C@H](C)c2ccccc2C)cc1 Cc1ccccc1[*:1] CCc1ccc(cc1)C(=O)NNC(=O)N[C@H](C)[*:1]
CSC[C@@H](C)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CSC[C@@H](C)C(=O)NCC(=O)N1CCN(CC1)[*:1]
CSC[C@@H](C)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 CSC[*:1] C[C@@H](C(=O)NCC(=O)N1CCN(CC1)c1ccc(Cl)cc1)[*:1]
CC[C@@H]1CCCCN1C(=O)CCc1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] CC[C@@H]1CCCCN1C(=O)CCc1nc(no1)[*:1]
O=C(NCc1ccccc1Cl)c1nn(-c2ccccc2)c2c1COC2 c1ccc(cc1)[*:1] O=C(NCc1ccccc1Cl)c1nn(c2COCc12)[*:1]
O=C(NCc1ccccc1Cl)c1nn(-c2ccccc2)c2c1COC2 Clc1ccccc1C[*:1] O=C(N[*:1])c1nn(-c2ccccc2)c2COCc12
O=C(NCc1ccccc1Cl)c1nn(-c2ccccc2)c2c1COC2 Clc1ccccc1[*:1] O=C(NC[*:1])c1nn(-c2ccccc2)c2COCc12
CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O c1ccc(cc1)C[*:1] CN(C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O)[*:1]
CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O c1coc(c1)[*:1] CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)[*:1])[C@@H](O)[C@H]1O
CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O O=C(N[*:1])c1ccco1 CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](C[*:1])[C@@H](O)[C@H]1O
CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O c1ccc(cc1)[*:1] CN(C[*:1])C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O
CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O O=C(NC[*:1])c1ccco1 CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H]([C@@H](O)[C@H]1O)[*:1]
O=C(c1cn[nH]n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1n[nH]nc1[*:1] O=C(N1CCN(CC1)Cc1ccc2OCCc2c1)[*:1]
Cc1nc([C@@H]2CCC[NH2+]C2)cc(N2CCC(C(=O)NCc3ccccn3)CC2)n1 c1ccc(nc1)[*:1] Cc1nc(cc(n1)N1CCC(CC1)C(=O)NC[*:1])[C@@H]1CCC[NH2+]C1
Cc1nc([C@@H]2CCC[NH2+]C2)cc(N2CCC(C(=O)NCc3ccccn3)CC2)n1 c1ccc(C[*:1])nc1 Cc1nc(cc(n1)N1CCC(CC1)C(=O)N[*:1])[C@@H]1CCC[NH2+]C1
COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)[C@@H]1CCC(=O)N([C@H]1c1ccc(F)cc1)[*:1]
COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 O=C(Nc1cccc(Cl)c1)[*:1] COc1ccc(cc1)N1C(=O)CC[C@@H]([C@@H]1c1ccc(F)cc1)[*:1]
COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)N1C(=O)CC[C@@H](C(=O)N[*:1])[C@@H]1c1ccc(F)cc1
COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(Cl)c3)[C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)CC[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H]1[*:1]
CCc1ccc(OCCCC(=O)NC(C)(C)C)c(Br)c1 CC(C)(C)[*:1] CCc1ccc(OCCCC(=O)N[*:1])c(Br)c1
CC[C@H](CSC)NC(=O)NCCc1ccccc1C CSC[*:1] CC[C@H](NC(=O)NCCc1ccccc1C)[*:1]
CC[C@H](C)C[NH2+]C[C@@H](C)c1c(C)noc1C CC[C@H](C)[*:1] Cc1noc(C)c1[C@H](C)C[NH2+]C[*:1]
CC[C@H](C)C[NH2+]C[C@@H](C)c1c(C)noc1C CC[C@H](C)C[*:1] Cc1noc(C)c1[C@H](C)C[NH2+][*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cc(C)ccc4OC)C3)c2)no1 COc1ccc(C)cc1[*:1] CCc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cc(C)ccc4OC)C3)c2)no1 CCc1nc(no1)[*:1] COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1cc(cs1)[*:1]
COCCN(Cc1cccnc1)C(=O)CC1(O)CCCCC1 c1cncc(c1)[*:1] COCCN(C[*:1])C(=O)CC1(O)CCCCC1
COCCN(Cc1cccnc1)C(=O)CC1(O)CCCCC1 c1cncc(c1)C[*:1] COCCN(C(=O)CC1(O)CCCCC1)[*:1]
COCCN(Cc1cccnc1)C(=O)CC1(O)CCCCC1 OC1(CCCCC1)[*:1] COCCN(Cc1cccnc1)C(=O)C[*:1]
COCCN(Cc1cccnc1)C(=O)CC1(O)CCCCC1 COCC[*:1] O=C(CC1(O)CCCCC1)N(Cc1cccnc1)[*:1]
COCCN(Cc1cccnc1)C(=O)CC1(O)CCCCC1 COC[*:1] O=C(CC1(O)CCCCC1)N(Cc1cccnc1)C[*:1]
COCCn1c(C(=O)N[C@H](CO)c2ccccc2F)cc2ccccc21 COCC[*:1] O=C(N[C@H](CO)c1ccccc1F)c1cc2ccccc2n1[*:1]
COCCn1c(C(=O)N[C@H](CO)c2ccccc2F)cc2ccccc21 Fc1ccccc1[*:1] COCCn1c(cc2ccccc21)C(=O)N[C@H](CO)[*:1]
COCCn1c(C(=O)N[C@H](CO)c2ccccc2F)cc2ccccc21 COC[*:1] O=C(N[C@H](CO)c1ccccc1F)c1cc2ccccc2n1C[*:1]
O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H]1c1cccc2c1OCCO2 Fc1cc(F)cc(c1)[*:1] O=S(=O)(N1CCC[C@H]1c1cccc2OCCOc21)[*:1]
COc1ccc2nc(Nc3nnc(-c4cccs4)o3)sc2c1 c1csc(c1)[*:1] COc1ccc2nc(Nc3nnc(o3)[*:1])sc2c1
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1)C1CC1 C1CC1[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C)[*:1]
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1)C1CC1 CC(=O)N(C1CC1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(cc1)C[*:1]
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1)C1CC1 CC(=O)N(C[*:1])C1CC1 C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CN(C(=O)c1ccc(NC(=O)CC2(O)CCCC2)cc1)C1CCCCC1 OC1(CCCC1)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)C[*:1])C1CCCCC1
CN(C(=O)c1ccc(NC(=O)CC2(O)CCCC2)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)CC1(O)CCCC1)[*:1]
CN(C(=O)c1ccc(NC(=O)CC2(O)CCCC2)cc1)C1CCCCC1 OC1(CCCC1)C[*:1] CN(C(=O)c1ccc(cc1)NC(=O)[*:1])C1CCCCC1
CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)N[C@@H](C)C[NH+](C)C)C1 Cc1ccccc1[*:1] CC(=O)N1CCC[C@@](C[C@@H]2CC(=NO2)[*:1])(C1)C(=O)N[C@@H](C)C[NH+](C)C
C[NH+](C)[C@@H]1CCCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)C1 C1CC1[*:1] C[NH+](C)[C@@H]1CCCN(C1)c1cc(C(=O)N[*:1])c2ccccc2n1
C[NH+](C)[C@@H]1CCCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)C1 O=C(NC1CC1)[*:1] C[NH+](C)[C@@H]1CCCN(C1)c1cc(c2ccccc2n1)[*:1]
COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(NC(=O)c3ccccc3OC)cc1)=C2 COc1ccccc1C(=O)N[*:1] COc1cc2C=C(C(=O)c3ccc(cc3)[*:1])N(C)CCc2cc1OC
COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(NC(=O)c3ccccc3OC)cc1)=C2 COc1ccccc1[*:1] COc1cc2C=C(C(=O)c3ccc(cc3)NC(=O)[*:1])N(C)CCc2cc1OC
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ccc(C(N)=O)cc2)C1 NC(=O)[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ccc(cc2)[*:1])C1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ccc(C(N)=O)cc2)C1 CC(C)C[*:1] NC(=O)c1ccc(cc1)NC(=O)C[C@@H]1CCCN(C1)C(=O)N[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ccc(C(N)=O)cc2)C1 CC(C)[*:1] NC(=O)c1ccc(cc1)NC(=O)C[C@@H]1CCCN(C1)C(=O)NC[*:1]
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)c1ccccc1-2 O=[N+]([O-])[*:1] O=S1(=O)c2ccccc2-c2ccc(cc21)[*:1]
CSc1nccn1-c1ccc(C(=O)Nc2ncc(Cl)s2)cc1 Clc1cnc(s1)[*:1] CSc1nccn1-c1ccc(cc1)C(=O)N[*:1]
CSc1nccn1-c1ccc(C(=O)Nc2ncc(Cl)s2)cc1 CSc1nccn1[*:1] O=C(Nc1ncc(Cl)s1)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)cc1 CCO[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccco1)c1nc2c(F)cccc2s1
CCOc1ccc(C(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)cc1 CCOc1ccc(cc1)[*:1] O=C(N(Cc1ccco1)c1nc2c(F)cccc2s1)[*:1]
CCOc1ccc(C(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)cc1 c1coc(c1)C[*:1] CCOc1ccc(cc1)C(=O)N(c1nc2c(F)cccc2s1)[*:1]
CCOc1ccc(C(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)cc1 c1coc(c1)[*:1] CCOc1ccc(cc1)C(=O)N(C[*:1])c1nc2c(F)cccc2s1
CNC(=O)c1[nH]cnc1C(=O)Nc1ccccn1 CNC(=O)[*:1] O=C(Nc1ccccn1)c1nc[nH]c1[*:1]
CNC(=O)c1[nH]cnc1C(=O)Nc1ccccn1 c1ccc(nc1)[*:1] CNC(=O)c1[nH]cnc1C(=O)N[*:1]
Cc1cc(NCC[C@@](O)(c2ccc(C)o2)C(F)(F)F)nc(C)n1 Cc1ccc(o1)[*:1] Cc1cc(nc(C)n1)NCC[C@@](O)(C(F)(F)F)[*:1]
Cc1cc(NCC[C@@](O)(c2ccc(C)o2)C(F)(F)F)nc(C)n1 FC(F)(F)[*:1] Cc1cc(nc(C)n1)NCC[C@@](O)(c1ccc(C)o1)[*:1]
COc1ccc2c(c1)[C@](O)(CCc1cccs1)CC2 c1csc(c1)C[*:1] COc1ccc2CC[C@@](O)(C[*:1])c2c1
COc1ccc2c(c1)[C@](O)(CCc1cccs1)CC2 c1csc(c1)[*:1] COc1ccc2CC[C@@](O)(CC[*:1])c2c1
C#CC[NH+](CC(=O)[O-])Cc1cccc2ccccc12 O=C([O-])[*:1] C#CC[NH+](Cc1cccc2ccccc12)C[*:1]
Cc1ccc(C(=O)NNC(=O)c2cccc(C(=O)OC(C)(C)C)c2)o1 CC(C)(C)OC(=O)[*:1] Cc1ccc(o1)C(=O)NNC(=O)c1cccc(c1)[*:1]
Cc1ccc(C(=O)NNC(=O)c2cccc(C(=O)OC(C)(C)C)c2)o1 Cc1ccc(o1)[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)c2cccc(C(=O)OC(C)(C)C)c2)o1 CC(C)(C)[*:1] Cc1ccc(o1)C(=O)NNC(=O)c1cccc(c1)C(=O)O[*:1]
CCOC(=O)C1(NC(=O)c2cccc(C[NH+](C)C)c2)Cc2ccccc2C1 CCOC(=O)[*:1] C[NH+](C)Cc1cccc(c1)C(=O)NC1(Cc2ccccc2C1)[*:1]
O[C@H](CNc1ncc(Cl)cc1F)C1CCCC1 C1CCC(C1)[*:1] O[C@H](CNc1ncc(Cl)cc1F)[*:1]
Cc1ccc(CC[C@H]2NC(=O)c3ccccc3O2)o1 Cc1ccc(o1)[*:1] O=C1N[C@H](CC[*:1])Oc2ccccc21
CC[C@H](C)[C@@H](Nc1ccc(Cl)c(Br)c1)C(=O)[O-] CC[C@H](C)[*:1] O=C([O-])[C@H](Nc1ccc(Cl)c(Br)c1)[*:1]
CC[C@H](C)[C@@H](Nc1ccc(Cl)c(Br)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@@H](Nc1ccc(Cl)c(Br)c1)[*:1]
CCn1ncc(C2=NO[C@H](C(=O)Nc3cccnc3Cl)C2)c1C Clc1ncccc1[*:1] CCn1ncc(C2C[C@H](ON=2)C(=O)N[*:1])c1C
C[C@H](Nc1ccc(N2CCOC2=O)cc1)C(=O)Nc1cccc(F)c1 O=C1OCCN1[*:1] C[C@H](Nc1ccc(cc1)[*:1])C(=O)Nc1cccc(F)c1
C[C@H](Nc1ccc(N2CCOC2=O)cc1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](Nc1ccc(cc1)N1CCOC1=O)C(=O)N[*:1]
Cc1c(C(=O)NNC(=O)c2cccn2C)cnn1-c1ccccc1F Fc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)NNC(=O)c1cccn1C
Cc1c(C(=O)NNC(=O)c2cccn2C)cnn1-c1ccccc1F Cn1cccc1[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)NNC(=O)[*:1]
CCn1cc(C(=O)N(C2CC2)[C@@H](C)c2ccccc2F)cn1 C1CC1[*:1] CCn1cc(cn1)C(=O)N([C@@H](C)c1ccccc1F)[*:1]
CCn1cc(C(=O)N(C2CC2)[C@@H](C)c2ccccc2F)cn1 Fc1ccccc1[*:1] CCn1cc(cn1)C(=O)N(C1CC1)[C@@H](C)[*:1]
CCn1cc(C(=O)N(C2CC2)[C@@H](C)c2ccccc2F)cn1 CCn1cc(cn1)[*:1] C[C@@H](c1ccccc1F)N(C(=O)[*:1])C1CC1
O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1cc2OCOc2cc1[*:1] O=C(C=C[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccc2OCOc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCc2ncnn2C)c1 Cn1ncnc1CC[*:1] CC(C)N(C)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCc2ncnn2C)c1 Cn1ncnc1C[*:1] CC(C)N(C)S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCc2ncnn2C)c1 CC(C)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)NCCc1ncnn1C)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCc2ncnn2C)c1 Cn1ncnc1[*:1] CC(C)N(C)S(=O)(=O)c1cccc(c1)C(=O)NCC[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCc2ncnn2C)c1 CC(C)N(C)S(=O)(=O)[*:1] Cn1ncnc1CCNC(=O)c1cccc(c1)[*:1]
N#Cc1ccc2ncc(CN(CCc3cccc(F)c3)C3CC3)n2c1 Fc1cccc(c1)C[*:1] N#Cc1ccc2ncc(CN(C[*:1])C3CC3)n2c1
N#Cc1ccc2ncc(CN(CCc3cccc(F)c3)C3CC3)n2c1 Fc1cccc(c1)[*:1] N#Cc1ccc2ncc(CN(CC[*:1])C3CC3)n2c1
N#Cc1ccc2ncc(CN(CCc3cccc(F)c3)C3CC3)n2c1 C1CC1[*:1] N#Cc1ccc2ncc(CN(CCc3cccc(F)c3)[*:1])n2c1
Cc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(S(C)(=O)=O)cc4)C3)o2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)c1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])o1
Cc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(S(C)(=O)=O)cc4)C3)o2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)C(=O)Nc1nnc(o1)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
Cc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(S(C)(=O)=O)cc4)C3)o2)c1 CS(=O)(=O)c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)Nc1nnc(o1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(S(C)(=O)=O)cc4)C3)o2)c1 Cc1cccc(c1)C(=O)N[*:1] CS(=O)(=O)c1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(o1)[*:1]
[NH3+][C@H]1[C@@H](C(=O)NCCc2ccccc2)c2nc3ccccc3nc2N1/N=C/C1=c2ccccc2=[NH+]C1 c1ccc(cc1)CC[*:1] [NH3+][C@H]1[C@@H](C(=O)N[*:1])c2nc3ccccc3nc2N1/N=C/C1C[NH+]=c2ccccc2=1
[NH3+][C@H]1[C@@H](C(=O)NCCc2ccccc2)c2nc3ccccc3nc2N1/N=C/C1=c2ccccc2=[NH+]C1 O=C(NCCc1ccccc1)[*:1] [NH3+][C@H]1[C@@H](c2nc3ccccc3nc2N1/N=C/C1C[NH+]=c2ccccc2=1)[*:1]
[NH3+][C@H]1[C@@H](C(=O)NCCc2ccccc2)c2nc3ccccc3nc2N1/N=C/C1=c2ccccc2=[NH+]C1 c1ccc(cc1)C[*:1] [NH3+][C@H]1[C@@H](C(=O)NC[*:1])c2nc3ccccc3nc2N1/N=C/C1C[NH+]=c2ccccc2=1
[NH3+][C@H]1[C@@H](C(=O)NCCc2ccccc2)c2nc3ccccc3nc2N1/N=C/C1=c2ccccc2=[NH+]C1 c1ccc(cc1)[*:1] [NH3+][C@H]1[C@@H](C(=O)NCC[*:1])c2nc3ccccc3nc2N1/N=C/C1C[NH+]=c2ccccc2=1
O=c1oc2ccccc2cc1C1=NN[C@@H](c2ccccc2Cl)C1 Clc1ccccc1[*:1] O=c1oc2ccccc2cc1C1C[C@H](NN=1)[*:1]
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NCCc1cccnc1 c1cncc(c1)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NCC[*:1]
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NCCc1cccnc1 c1cncc(c1)C[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NC[*:1]
O=C(c1ccc(N2CCC[C@H](O)C2)nc1)N1CCC(CCn2cccn2)CC1 c1cnn(c1)C[*:1] O=C(c1ccc(nc1)N1CCC[C@H](O)C1)N1CCC(CC1)C[*:1]
O=C(c1ccc(N2CCC[C@H](O)C2)nc1)N1CCC(CCn2cccn2)CC1 c1cnn(c1)[*:1] O=C(c1ccc(nc1)N1CCC[C@H](O)C1)N1CCC(CC1)CC[*:1]
O=C(c1ccc(N2CCC[C@H](O)C2)nc1)N1CCC(CCn2cccn2)CC1 c1cnn(c1)CC[*:1] O=C(c1ccc(nc1)N1CCC[C@H](O)C1)N1CCC(CC1)[*:1]
COC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C COC[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(C)c(c1)C(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C Cc1ccc(cc1)[*:1] COC[C@H](C)NC(=O)c1cc(ccc1C)S(=O)(=O)N[*:1]
COC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C COC[C@H](C)NC(=O)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(C)c(c1)[*:1]
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1cc(Cl)ccc1F C1CC1[*:1] O=C(CSc1nnc(n1Cc1ccco1)[*:1])Nc1cc(Cl)ccc1F
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1cc(Cl)ccc1F c1coc(c1)C[*:1] O=C(CSc1nnc(C2CC2)n1[*:1])Nc1cc(Cl)ccc1F
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1cc(Cl)ccc1F c1coc(c1)[*:1] O=C(CSc1nnc(C2CC2)n1C[*:1])Nc1cc(Cl)ccc1F
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1cc(Cl)ccc1F Fc1ccc(Cl)cc1[*:1] O=C(CSc1nnc(C2CC2)n1Cc1ccco1)N[*:1]
CCc1nc(=O)n([C@@H](CC)C(C)C)c(CC)c1CC(=O)[O-] CC[C@@H](C(C)C)[*:1] CCc1nc(=O)n(c(CC)c1CC(=O)[O-])[*:1]
CCc1nc(=O)n([C@@H](CC)C(C)C)c(CC)c1CC(=O)[O-] O=C([O-])C[*:1] CCc1nc(=O)n(c(CC)c1[*:1])[C@@H](CC)C(C)C
CCc1nc(=O)n([C@@H](CC)C(C)C)c(CC)c1CC(=O)[O-] O=C([O-])[*:1] CCc1nc(=O)n(c(CC)c1C[*:1])[C@@H](CC)C(C)C
CCc1nc(=O)n([C@@H](CC)C(C)C)c(CC)c1CC(=O)[O-] CC(C)[*:1] CCc1nc(=O)n(c(CC)c1CC(=O)[O-])[C@@H](CC)[*:1]
CC(=O)NCc1ccc(C(=O)COc2ccc(Cl)cc2C(N)=O)cc1 CC(=O)NC[*:1] NC(=O)c1cc(Cl)ccc1OCC(=O)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)COc2ccc(Cl)cc2C(N)=O)cc1 NC(=O)[*:1] CC(=O)NCc1ccc(cc1)C(=O)COc1ccc(Cl)cc1[*:1]
CC(=O)NCc1ccc(C(=O)COc2ccc(Cl)cc2C(N)=O)cc1 CC(=O)N[*:1] NC(=O)c1cc(Cl)ccc1OCC(=O)c1ccc(cc1)C[*:1]
CNC(=O)c1ccc(N2[C@H](C[NH3+])CCC[C@H]2C)nn1 CNC(=O)[*:1] C[C@@H]1CCC[C@@H](C[NH3+])N1c1ccc(nn1)[*:1]
O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCC(=O)N(CC1CC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCC(=O)N(CC1CC1)[*:1]
O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCC(=O)N(CC1CC1)C1CCCCC1 C1CC1[*:1] O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCC(=O)N(C[*:1])C1CCCCC1
O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCC(=O)N(CC1CC1)C1CCCCC1 C1CC1C[*:1] O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCC(=O)N(C1CCCCC1)[*:1]
COc1cccc(-n2cc[nH+]c2N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)-n1cc[nH+]c1N1CCN(CC1)CC(=O)N[*:1]
COc1cccc(-n2cc[nH+]c2N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c1 O=C(Nc1ccc(Cl)cc1)[*:1] COc1cccc(c1)-n1cc[nH+]c1N1CCN(CC1)C[*:1]
COc1cccc(-n2cc[nH+]c2N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c1 COc1cccc(c1)[*:1] O=C(CN1CCN(CC1)c1[nH+]ccn1[*:1])Nc1ccc(Cl)cc1
COc1ccc(/C=C\C(=O)c2ccccc2)cc1O c1ccc(cc1)[*:1] COc1ccc(/C=C\C(=O)[*:1])cc1O
CCCn1c(S[C@H]2CCCC(C)(C)[C@@H]2[NH2+]CC)n[nH]c1=O CCC[*:1] CC[NH2+][C@@H]1[C@H](CCCC1(C)C)Sc1n[nH]c(=O)n1[*:1]
C[C@@H](C(=O)[O-])N1C(=O)CSc2cccn2-c2ccccc21 O=C([O-])[*:1] C[C@@H](N1C(=O)CSc2cccn2-c2ccccc21)[*:1]
CCc1c(C)sc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)c1C#N c1cc2OCOc2cc1[*:1] CCc1c(C)sc(NC(=O)c2cc(on2)[*:1])c1C#N
O=C(COC(=O)c1cccnc1Cl)Nc1cc(F)ccc1F Clc1ncccc1[*:1] O=C(COC(=O)[*:1])Nc1cc(F)ccc1F
C[C@H](c1nnc(S[C@H]2CCCCC2=O)n1-c1ccc(Cl)cc1)[NH+](C)C O=C1CCCC[C@@H]1S[*:1] C[C@H](c1nnc(n1-c1ccc(Cl)cc1)[*:1])[NH+](C)C
C[C@H](c1nnc(S[C@H]2CCCCC2=O)n1-c1ccc(Cl)cc1)[NH+](C)C O=C1CCCC[C@@H]1[*:1] C[C@H](c1nnc(S[*:1])n1-c1ccc(Cl)cc1)[NH+](C)C
C[C@H](c1nnc(S[C@H]2CCCCC2=O)n1-c1ccc(Cl)cc1)[NH+](C)C Clc1ccc(cc1)[*:1] C[C@H](c1nnc(S[C@H]2CCCCC2=O)n1[*:1])[NH+](C)C
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2)cc1C Cc1ccc(cc1C)[*:1] N#CC1=C(NC(=O)C[C@@H]1c1ccccc1F)SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2)cc1C Fc1ccccc1[*:1] Cc1ccc(cc1C)NC(=O)CSC1NC(=O)C[C@H](C=1C#N)[*:1]
CC[C@@H]1c2cccn2CCN1C(=O)[C@@H]1C=C(COc2cccc(OC)c2)N=N1 COc1cccc(c1)O[*:1] CC[C@@H]1c2cccn2CCN1C(=O)[C@@H]1C=C(C[*:1])N=N1
CC[C@@H]1c2cccn2CCN1C(=O)[C@@H]1C=C(COc2cccc(OC)c2)N=N1 COc1cccc(c1)[*:1] CC[C@@H]1c2cccn2CCN1C(=O)[C@@H]1C=C(CO[*:1])N=N1
O=C(CN1CCN(Cc2ccccn2)CC1)Nc1nc(-c2ccco2)cs1 c1ccc(nc1)[*:1] O=C(CN1CCN(CC1)C[*:1])Nc1nc(cs1)-c1ccco1
O=C(CN1CCN(Cc2ccccn2)CC1)Nc1nc(-c2ccco2)cs1 c1ccc(C[*:1])nc1 O=C(CN1CCN(CC1)[*:1])Nc1nc(cs1)-c1ccco1
O=C(CN1CCN(Cc2ccccn2)CC1)Nc1nc(-c2ccco2)cs1 c1coc(c1)[*:1] O=C(CN1CCN(CC1)Cc1ccccn1)Nc1nc(cs1)[*:1]
O=C(NC1CCCCCC1)c1cccc(CN2CCOCC2)c1 C1CN(CCO1)[*:1] O=C(NC1CCCCCC1)c1cccc(c1)C[*:1]
O=C(NC1CCCCCC1)c1cccc(CN2CCOCC2)c1 C1CN(CCO1)C[*:1] O=C(NC1CCCCCC1)c1cccc(c1)[*:1]
O=C(NC1CCCCCC1)c1cccc(CN2CCOCC2)c1 C1CCCC(CC1)[*:1] O=C(N[*:1])c1cccc(c1)CN1CCOCC1
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3C(=O)[O-])c2)C[C@@H](C)O1 O=C([O-])[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)N1CCC[C@H]1[*:1]
COc1cccc(N2CC[C@@H](CNC(=O)c3c(C)oc(C)c3C)C2)c1 COc1cccc(c1)[*:1] Cc1oc(C)c(C(=O)NC[C@@H]2CCN(C2)[*:1])c1C
COc1cccc(N2CC[C@@H](CNC(=O)c3c(C)oc(C)c3C)C2)c1 Cc1oc(C)c(c1C)[*:1] COc1cccc(c1)N1CC[C@@H](CNC(=O)[*:1])C1
Cc1ccc([C@@H]2C[C@@H]2C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)s1 c1cnn(c1)[*:1] Cc1ccc(s1)[C@@H]1C[C@@H]1C(=O)N1C[C@H](Cc2ccccc21)[*:1]
Cc1ccc([C@@H]2C[C@@H]2C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)s1 Cc1ccc(s1)[*:1] O=C([C@H]1C[C@H]1[*:1])N1C[C@@H](Cc2ccccc21)n1cccn1
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1C[NH2+][*:1])[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]Cc1ccccc1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1nn(c(C)c1C[NH2+]Cc1ccccc1)[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C[NH2+]C[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(N)=O CC(C)[*:1] NC(=O)COC(=O)[C@@H](NC(=O)c1c(F)cccc1F)[*:1]
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(N)=O NC(=O)COC(=O)[*:1] CC(C)[C@H](NC(=O)c1c(F)cccc1F)[*:1]
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(N)=O NC(=O)C[*:1] CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)O[*:1]
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(N)=O NC(=O)[*:1] CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OC[*:1]
C=CCS(=O)(=O)/N=C([O-])/C=C/c1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] C=CCS(=O)(=O)/N=C([O-])/C=C/c1cc(ccc1Cl)[*:1]
C=CCS(=O)(=O)/N=C([O-])/C=C/c1cc(C(F)(F)F)ccc1Cl C=CC[*:1] O=S(=O)(/N=C([O-])/C=C/c1cc(ccc1Cl)C(F)(F)F)[*:1]
COCCN(Cc1ccco1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 COC[*:1] O=C(c1cnn2c(ccnc12)-c1ccccc1)N(Cc1ccco1)C[*:1]
COCCN(Cc1ccco1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 c1ccc(cc1)[*:1] COCCN(Cc1ccco1)C(=O)c1cnn2c(ccnc12)[*:1]
COCCN(Cc1ccco1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 c1coc(c1)C[*:1] COCCN(C(=O)c1cnn2c(ccnc12)-c1ccccc1)[*:1]
COCCN(Cc1ccco1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 COCC[*:1] O=C(c1cnn2c(ccnc12)-c1ccccc1)N(Cc1ccco1)[*:1]
COCCN(Cc1ccco1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 c1coc(c1)[*:1] COCCN(C[*:1])C(=O)c1cnn2c(ccnc12)-c1ccccc1
CC[C@H](C#N)NC(=O)C1(CC(C)C)CCCC1 CC[C@H](C#N)[*:1] CC(C)CC1(CCCC1)C(=O)N[*:1]
CC[C@H](C#N)NC(=O)C1(CC(C)C)CCCC1 CC(C)C[*:1] CC[C@H](C#N)NC(=O)C1(CCCC1)[*:1]
CC[C@H](C#N)NC(=O)C1(CC(C)C)CCCC1 CC(C)[*:1] CC[C@H](C#N)NC(=O)C1(CCCC1)C[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCN(c3cccc(O)c3)CC2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCN(CC2)c2cccc(O)c2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCN(c3cccc(O)c3)CC2)c1C1CC1 Oc1cccc(c1)[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCN(CC2)[*:1])c1C1CC1
N#CCN(Cc1ccccc1)C(=O)CCNC(=O)c1ccoc1 N#CC[*:1] O=C(NCCC(=O)N(Cc1ccccc1)[*:1])c1ccoc1
N#CCN(Cc1ccccc1)C(=O)CCNC(=O)c1ccoc1 c1ccc(cc1)[*:1] N#CCN(C[*:1])C(=O)CCNC(=O)c1ccoc1
N#CCN(Cc1ccccc1)C(=O)CCNC(=O)c1ccoc1 c1cc(co1)[*:1] N#CCN(Cc1ccccc1)C(=O)CCNC(=O)[*:1]
N#CCN(Cc1ccccc1)C(=O)CCNC(=O)c1ccoc1 c1ccc(cc1)C[*:1] N#CCN(C(=O)CCNC(=O)c1ccoc1)[*:1]
COc1ccc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 O=S1(=O)CC[C@H](C1)[*:1] COc1ccc(cc1)C(=O)N(Cc1ccc(o1)[C@@H]1C[C@@H]1C)[*:1]
COc1ccc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)[*:1])[C@@H]2CCS(=O)(=O)C2)o1
COC1CC[NH+](CCNC(=O)c2cc(C)n(-c3cc(C)on3)c2C)CC1 Cc1cc(no1)[*:1] COC1CC[NH+](CCNC(=O)c2cc(C)n(c2C)[*:1])CC1
Cc1ccccc1-n1c(Sc2ccc(C#N)cn2)nnc1-c1cccnc1 c1cncc(c1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])Sc1ccc(C#N)cn1
Cc1ccccc1-n1c(Sc2ccc(C#N)cn2)nnc1-c1cccnc1 N#Cc1ccc(nc1)S[*:1] Cc1ccccc1-n1c(nnc1[*:1])-c1cccnc1
Cc1ccccc1-n1c(Sc2ccc(C#N)cn2)nnc1-c1cccnc1 Cc1ccccc1[*:1] N#Cc1ccc(nc1)Sc1nnc(-c2cccnc2)n1[*:1]
Cc1ccccc1-n1c(Sc2ccc(C#N)cn2)nnc1-c1cccnc1 N#Cc1ccc(nc1)[*:1] Cc1ccccc1-n1c(nnc1-c1cccnc1)S[*:1]
CCCC[S@@](=O)Cc1nc(-c2cc(Br)cs2)no1 CCCC[S@@](=O)[*:1] Brc1csc(c1)-c1noc(C[*:1])n1
CCCC[S@@](=O)Cc1nc(-c2cc(Br)cs2)no1 CCCC[*:1] O=[S@@](Cc1nc(no1)-c1cc(Br)cs1)[*:1]
CCCC[S@@](=O)Cc1nc(-c2cc(Br)cs2)no1 Brc1csc(c1)[*:1] CCCC[S@@](=O)Cc1nc(no1)[*:1]
CCCC[S@@](=O)Cc1nc(-c2cc(Br)cs2)no1 CCC[*:1] O=[S@@](Cc1nc(no1)-c1cc(Br)cs1)C[*:1]
COC(=O)C1(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CCSCC1 FC(F)(F)[*:1] COC(=O)C1(CCSCC1)NC(=O)[C@@H]1CCCN(C1)C[*:1]
COC(=O)C1(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CCSCC1 FC(F)(F)C[*:1] COC(=O)C1(CCSCC1)NC(=O)[C@@H]1CCCN(C1)[*:1]
COC(=O)C1(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CCSCC1 COC(=O)[*:1] O=C(NC1(CCSCC1)[*:1])[C@@H]1CCCN(C1)CC(F)(F)F
O=C(CNC(=O)c1ccco1)OCCN1C(=O)c2ccccc2C1=O c1coc(c1)[*:1] O=C(CNC(=O)[*:1])OCCN1C(=O)c2ccccc2C1=O
O=C(CNC(=O)c1ccco1)OCCN1C(=O)c2ccccc2C1=O O=C(N[*:1])c1ccco1 O=C(C[*:1])OCCN1C(=O)c2ccccc2C1=O
CO[C@@H]1C[NH2+][C@@H](CN(C)CCS(C)(=O)=O)C1 CS(=O)(=O)C[*:1] CO[C@@H]1C[NH2+][C@H](C1)CN(C)C[*:1]
CO[C@@H]1C[NH2+][C@@H](CN(C)CCS(C)(=O)=O)C1 CS(=O)(=O)[*:1] CO[C@@H]1C[NH2+][C@H](C1)CN(C)CC[*:1]
COC(=O)Nc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] COC(=O)Nc1ccc(cc1)[*:1]
COC(=O)Nc1ccc(NC(C)=O)cc1 COC(=O)N[*:1] CC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1 CCO[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1nnc2CCCCCn21)c1ccc(cc1)[*:1]
CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CCOc1ccc(cc1)N(Cc1nnc2CCCCCn21)C(=O)N[*:1]
CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1nnc2CCCCCn21)[*:1]
CN(C(=O)c1cccc(NC(=O)NCc2cccnc2)c1)c1ccccc1 c1cncc(c1)[*:1] CN(C(=O)c1cccc(c1)NC(=O)NC[*:1])c1ccccc1
CN(C(=O)c1cccc(NC(=O)NCc2cccnc2)c1)c1ccccc1 c1cncc(c1)C[*:1] CN(C(=O)c1cccc(c1)NC(=O)N[*:1])c1ccccc1
CN(C(=O)c1cccc(NC(=O)NCc2cccnc2)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1cccc(c1)NC(=O)NCc1cccnc1)[*:1]
C[NH+](CC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)C1CCCCC1 O=C(N1CCCC1)[*:1] C[NH+](CC(=O)Nc1ccc(cc1)[*:1])C1CCCCC1
COc1cc(C)ccc1OCC(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 COc1cc(C)ccc1[*:1] O=C(CO[*:1])N1CCC[C@H](C1)c1cc2nc(ccc2[nH]1)C(F)(F)F
COc1cc(C)ccc1OCC(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 COc1cc(C)ccc1O[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1cc2nc(ccc2[nH]1)C(F)(F)F
COc1cc(C)ccc1OCC(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 FC(F)(F)[*:1] COc1cc(C)ccc1OCC(=O)N1CCC[C@H](C1)c1cc2nc(ccc2[nH]1)[*:1]
N#C[C@H](c1ccc(Br)cc1)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] N#C[C@H](c1ccc(Br)cc1)N1CCN(CC1)[C@@H](C#N)[*:1]
CC(=O)N1N=C(c2c(C)n(-c3ccccc3)n(-c3ccccc3)c2=O)O[C@@H]1c1csc2c1CCCC2 c1sc2CCCCc2c1[*:1] CC(=O)N1N=C(O[C@H]1[*:1])c1c(C)n(-c2ccccc2)n(-c2ccccc2)c1=O
CC(=O)N1N=C(c2c(C)n(-c3ccccc3)n(-c3ccccc3)c2=O)O[C@@H]1c1csc2c1CCCC2 c1ccc(cc1)[*:1] CC(=O)N1N=C(O[C@@H]1c1csc2CCCCc12)c1c(C)n(n(-c2ccccc2)c1=O)[*:1]
CC(=O)N1N=C(c2c(C)n(-c3ccccc3)n(-c3ccccc3)c2=O)O[C@@H]1c1csc2c1CCCC2 c1ccc(cc1)[*:1] CC(=O)N1N=C(O[C@@H]1c1csc2CCCCc12)c1c(C)n(-c2ccccc2)n(c1=O)[*:1]
CC[C@H](C)N(CC)c1ncccc1C(N)=[NH2+] NC(=[NH2+])[*:1] CC[C@H](C)N(CC)c1ncccc1[*:1]
CC[C@H](C)N(CC)c1ncccc1C(N)=[NH2+] CC[C@H](C)[*:1] CCN(c1ncccc1C(N)=[NH2+])[*:1]
O=C(c1cnc(Oc2ccccc2)cn1)N1CCC[C@H]1c1cccc(F)c1 c1ccc(cc1)O[*:1] O=C(c1cnc(cn1)[*:1])N1CCC[C@H]1c1cccc(F)c1
O=C(c1cnc(Oc2ccccc2)cn1)N1CCC[C@H]1c1cccc(F)c1 c1ccc(cc1)[*:1] O=C(c1cnc(cn1)O[*:1])N1CCC[C@H]1c1cccc(F)c1
O=C(c1cnc(Oc2ccccc2)cn1)N1CCC[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(c1cnc(cn1)Oc1ccccc1)N1CCC[C@@H]1[*:1]
O=C(NCc1cc(-c2cccs2)on1)c1ccc2nsnc2c1 c1csc(c1)[*:1] O=C(NCc1cc(on1)[*:1])c1ccc2nsnc2c1
C[C@@H](C(=O)NCc1ccc(F)cc1)[S@](=O)Cc1ncc(Cl)n1C Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])[S@](=O)Cc1ncc(Cl)n1C
C[C@@H](C(=O)NCc1ccc(F)cc1)[S@](=O)Cc1ncc(Cl)n1C Cn1c(Cl)cnc1[*:1] C[C@@H](C(=O)NCc1ccc(F)cc1)[S@](=O)C[*:1]
CCCNC(=O)[C@@H](C)S(=O)(=O)Cc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] CCCNC(=O)[C@@H](C)S(=O)(=O)Cc1cc(on1)[*:1]
CCCNC(=O)[C@@H](C)S(=O)(=O)Cc1cc(-c2ccccc2)on1 CCCNC(=O)[*:1] C[C@@H](S(=O)(=O)Cc1cc(on1)-c1ccccc1)[*:1]
CCCNC(=O)[C@@H](C)S(=O)(=O)Cc1cc(-c2ccccc2)on1 CCC[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1cc(on1)-c1ccccc1
C[C@@H](O/N=C(/N)CC(=O)Nc1ccccc1Cl)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@@H](O/N=C(/N)CC(=O)Nc1ccccc1Cl)[*:1]
C[C@@H](O/N=C(/N)CC(=O)Nc1ccccc1Cl)C(=O)NC1CC1 Clc1ccccc1[*:1] C[C@@H](O/N=C(/N)CC(=O)N[*:1])C(=O)NC1CC1
C[C@@H](O/N=C(/N)CC(=O)Nc1ccccc1Cl)C(=O)NC1CC1 C1CC1[*:1] C[C@@H](O/N=C(/N)CC(=O)Nc1ccccc1Cl)C(=O)N[*:1]
CC(C)[C@@H](C)NC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 CC(C)[C@@H](C)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCSCC1)N[*:1]
CC(C)[C@@H](C)NC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 CC(C)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)C(=O)N1CCSCC1)[*:1]
C=CCN(C)C(=O)c1cc2cccc3c2n1CCS3 C=CC[*:1] CN(C(=O)c1cc2cccc3SCCn1c32)[*:1]
C[C@]1(c2ccc(F)cc2F)NC(=O)N(Cc2nc(-c3cccs3)no2)C1=O Fc1ccc(c(F)c1)[*:1] C[C@@]1(NC(=O)N(Cc2nc(no2)-c2cccs2)C1=O)[*:1]
C[C@]1(c2ccc(F)cc2F)NC(=O)N(Cc2nc(-c3cccs3)no2)C1=O c1csc(c1)[*:1] C[C@@]1(NC(=O)N(Cc2nc(no2)[*:1])C1=O)c1ccc(F)cc1F
Cc1ccc(NC(=O)CN2c3ccccc3NC(=O)C2(C)C)cc1 Cc1ccc(cc1)[*:1] CC1(C)C(=O)Nc2ccccc2N1CC(=O)N[*:1]
COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc(F)cc(F)c2)c1=O COC[*:1] Nc1c(c(=O)n(CC(=O)Nc2cc(F)cc(F)c2)c(=O)n1C[*:1])N1CCCCC1
COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc(F)cc(F)c2)c1=O C1CCN(CC1)[*:1] COCCn1c(N)c(c(=O)n(CC(=O)Nc2cc(F)cc(F)c2)c1=O)[*:1]
COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc(F)cc(F)c2)c1=O COCC[*:1] Nc1c(c(=O)n(CC(=O)Nc2cc(F)cc(F)c2)c(=O)n1[*:1])N1CCCCC1
COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc(F)cc(F)c2)c1=O Fc1cc(F)cc(c1)[*:1] COCCn1c(N)c(c(=O)n(CC(=O)N[*:1])c1=O)N1CCCCC1
Cc1cccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1 Cc1cccc(c1)[*:1] C[NH+]1CCN(CC1)C(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
Cc1cccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)[*:1]
Cc1ccc(N2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)[*:1])N1CC[C@H](C1)Nc1ccccc1
Cc1ccc(N2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cc1ccc(c(c1)[N+](=O)[O-])N1CC[C@H](C1)N[*:1]
Cc1ccc(N2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 c1ccc(cc1)N[*:1] Cc1ccc(c(c1)[N+](=O)[O-])N1CC[C@@H](C1)[*:1]
Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])c1ccc(cc1)N1CCCCS1(=O)=O
Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)c1 O=S1(=O)CCCCN1[*:1] Cc1ccc(NC(=O)c2ccc(cc2)[*:1])c(C)c1
COc1ccc(OCCC(C)(C)O)c(N)c1 CC(C)(O)[*:1] COc1ccc(OCC[*:1])c(N)c1
COc1ccc(OCCC(C)(C)O)c(N)c1 CC(C)(O)C[*:1] COc1ccc(OC[*:1])c(N)c1
COc1cccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 FC(F)(F)C[*:1] COc1cccc(c1)C[NH2+]C[C@H]1CCN(C1)[*:1]
COc1cccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 FC(F)(F)[*:1] COc1cccc(c1)C[NH2+]C[C@H]1CCN(C1)C[*:1]
Cn1c(=O)c2c(nc(SCC(=O)Nc3nc4ccccc4s3)n2C)n(C)c1=O c1ccc2sc(nc2c1)[*:1] Cn1c(=O)c2c(nc(SCC(=O)N[*:1])n2C)n(C)c1=O
O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(CCc2ccccc2F)/C(=N/c2ccc(F)cc2)S1 Fc1ccccc1C[*:1] O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(C[*:1])/C(=N/c2ccc(F)cc2)S1
O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(CCc2ccccc2F)/C(=N/c2ccc(F)cc2)S1 Fc1ccccc1CC[*:1] O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(/C(=N/c2ccc(F)cc2)S1)[*:1]
O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(CCc2ccccc2F)/C(=N/c2ccc(F)cc2)S1 O=C(Nc1ccccc1F)[*:1] O=C1C[C@H](S/C(=N\c2ccc(F)cc2)N1CCc1ccccc1F)[*:1]
O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(CCc2ccccc2F)/C(=N/c2ccc(F)cc2)S1 Fc1ccccc1[*:1] O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(CC[*:1])/C(=N/c2ccc(F)cc2)S1
O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(CCc2ccccc2F)/C(=N/c2ccc(F)cc2)S1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(CCc2ccccc2F)C(=N[*:1])S1
O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(CCc2ccccc2F)/C(=N/c2ccc(F)cc2)S1 Fc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CCc2ccccc2F)/C(=N/c2ccc(F)cc2)S1
CCOC(=O)C[C@H]([NH3+])c1ccc(C)cc1 CCOC(=O)[*:1] Cc1ccc(cc1)[C@@H]([NH3+])C[*:1]
CN(CC(=O)NC[C@H]1C[C@@]12CCc1ccccc12)S(C)(=O)=O CN(C[*:1])S(C)(=O)=O O=C(NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
CN(CC(=O)NC[C@H]1C[C@@]12CCc1ccccc12)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(C[*:1])NC[C@H]1C[C@@]12CCc1ccccc12
CCc1nn(C)cc1CNc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 CCc1nn(C)cc1[*:1] O=C(C[NH+]1CCCCCC1)Nc1ccc(cc1)NC[*:1]
CCc1nn(C)cc1CNc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 CCc1nn(C)cc1C[*:1] O=C(C[NH+]1CCCCCC1)Nc1ccc(cc1)N[*:1]
CC[C@H]1CCCN(C(=O)c2csc(-c3ccc(C)o3)n2)C1 Cc1ccc(o1)[*:1] CC[C@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Oc3nc4c(F)cccc4s3)CC2)cc1 CN(C)S(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)Oc1nc2c(F)cccc2s1
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Oc3nc4c(F)cccc4s3)CC2)cc1 Fc1cccc2sc(nc12)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)O[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1ccc(cc1)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] Cc1ccc(OCC(=O)N(C)CC(=O)N[*:1])c(n1)[N+](=O)[O-]
Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)COc1ccc(C)nc1[*:1]
O=C(CCCS(=O)(=O)Cc1ccccc1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCCS(=O)(=O)Cc1ccccc1)N1CCN(CC1)[*:1]
O=C(CCCS(=O)(=O)Cc1ccccc1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CCCS(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(CCCS(=O)(=O)Cc1ccccc1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCCS(=O)(=O)C[*:1])N1CCN(CC1)c1ccccc1
Cc1ccccc1CN(C)C(=O)c1c(-c2c(F)cccc2Cl)noc1C Fc1cccc(Cl)c1[*:1] Cc1ccccc1CN(C)C(=O)c1c(noc1C)[*:1]
Cc1ccccc1CN(C)C(=O)c1c(-c2c(F)cccc2Cl)noc1C Cc1ccccc1[*:1] Cc1onc(c1C(=O)N(C)C[*:1])-c1c(F)cccc1Cl
Cc1ccccc1CN(C)C(=O)c1c(-c2c(F)cccc2Cl)noc1C Cc1ccccc1C[*:1] Cc1onc(c1C(=O)N(C)[*:1])-c1c(F)cccc1Cl
COC(=O)c1ccc(CN2C[C@@H]3C[C@H]2C(=O)N3c2ccccc2Cl)cc1 COC(=O)[*:1] O=C1[C@@H]2C[C@@H](CN2Cc2ccc(cc2)[*:1])N1c1ccccc1Cl
COC(=O)c1ccc(CN2C[C@@H]3C[C@H]2C(=O)N3c2ccccc2Cl)cc1 Clc1ccccc1[*:1] COC(=O)c1ccc(cc1)CN1C[C@@H]2C[C@H]1C(=O)N2[*:1]
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1scnc1C1CC1 C1CC1[*:1] O=C(Nc1cnn(c1)Cc1ccc(Cl)cc1)c1scnc1[*:1]
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1scnc1C1CC1 Clc1ccc(cc1)C[*:1] O=C(Nc1cnn(c1)[*:1])c1scnc1C1CC1
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1scnc1C1CC1 c1nc(c(s1)[*:1])C1CC1 O=C(Nc1cnn(c1)Cc1ccc(Cl)cc1)[*:1]
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1scnc1C1CC1 Clc1ccc(cc1)[*:1] O=C(Nc1cnn(c1)C[*:1])c1scnc1C1CC1
CCCn1c([O-])c(C(=O)c2cc(Cl)c(OC)c(Cl)c2)c(C)c(C#N)c1=O CCC[*:1] COc1c(Cl)cc(cc1Cl)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
FC(F)(F)c1ccccc1NNC(=S)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] FC(F)(F)c1ccccc1NNC(=S)N[*:1]
FC(F)(F)c1ccccc1NNC(=S)NC[C@H]1CCCO1 FC(F)(F)[*:1] S=C(NC[C@H]1CCCO1)NNc1ccccc1[*:1]
FC(F)(F)c1ccccc1NNC(=S)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] FC(F)(F)c1ccccc1NNC(=S)NC[*:1]
Cc1cnc2c(S(=O)(=O)/N=C(\[O-])[C@@H](C)OCC3CC3)cccc2c1 C1CC1CO[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)/N=C(\[O-])[C@@H](C)[*:1]
Cc1cnc2c(S(=O)(=O)/N=C(\[O-])[C@@H](C)OCC3CC3)cccc2c1 C1CC1[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)/N=C(\[O-])[C@@H](C)OC[*:1]
Cc1cnc2c(S(=O)(=O)/N=C(\[O-])[C@@H](C)OCC3CC3)cccc2c1 C1CC1C[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)/N=C(\[O-])[C@@H](C)O[*:1]
CC[C@H](C)[C@H](NC(=O)c1cc(Cl)ccc1OC)C(N)=O CC[C@H](C)[*:1] COc1ccc(Cl)cc1C(=O)N[C@H](C(N)=O)[*:1]
CC[C@H](C)[C@H](NC(=O)c1cc(Cl)ccc1OC)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)c1cc(Cl)ccc1OC)[*:1]
CSCC[C@@H](C)N(C)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 CSCC[*:1] C[C@@H](N(C)C(=O)NCc1cc(Cl)c2OCCOc2c1)[*:1]
CSCC[C@@H](C)N(C)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 CSC[*:1] C[C@H](C[*:1])N(C)C(=O)NCc1cc(Cl)c2OCCOc2c1
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccccc3)o2)CC1 c1ccc(cc1)-c1nnc(o1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1])C(C)(C)C
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccccc3)o2)CC1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1nnc(o1)[*:1])C(C)(C)C
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccccc3)o2)CC1 CC(C)(C)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1nnc(o1)-c1ccccc1)[*:1]
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccccc3)o2)CC1 Cc1ccc(cc1[*:1])C(C)(C)C O=C(Nc1nnc(o1)-c1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(-c2nnc(SCC(=O)N(C)C3=CCCC3)o2)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)CSc1nnc(o1)[*:1])C1=CCCC1
O=C(CSCc1ccccc1)Nc1ccc(C(=O)N2CCCC2)cc1 c1ccc(cc1)C[*:1] O=C(CS[*:1])Nc1ccc(cc1)C(=O)N1CCCC1
O=C(CSCc1ccccc1)Nc1ccc(C(=O)N2CCCC2)cc1 c1ccc(cc1)[*:1] O=C(CSC[*:1])Nc1ccc(cc1)C(=O)N1CCCC1
O=C(CSCc1ccccc1)Nc1ccc(C(=O)N2CCCC2)cc1 c1ccc(cc1)CS[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)N1CCCC1
O=C(CSCc1ccccc1)Nc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] O=C(CSCc1ccccc1)Nc1ccc(cc1)[*:1]
COC(=O)[C@@H]1CN(C(=O)CSC)CCN1C(=O)N1CCOCC1 CSC[*:1] COC(=O)[C@@H]1CN(CCN1C(=O)N1CCOCC1)C(=O)[*:1]
COC(=O)[C@@H]1CN(C(=O)CSC)CCN1C(=O)N1CCOCC1 COC(=O)[*:1] CSCC(=O)N1CCN(C(=O)N2CCOCC2)[C@@H](C1)[*:1]
O=C([O-])c1cnccc1C(=O)N1CCC(Cc2ccccc2)CC1 O=C([O-])[*:1] O=C(c1ccncc1[*:1])N1CCC(CC1)Cc1ccccc1
O=C([O-])c1cnccc1C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C([O-])c1cnccc1C(=O)N1CCC(CC1)[*:1]
O=C([O-])c1cnccc1C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([O-])c1cnccc1C(=O)N1CCC(CC1)C[*:1]
COc1cccc(/C=C(/C(=O)OC2CCCC2)n2nnnc2C)c1 C1CCC(C1)[*:1] COc1cccc(/C=C(/C(=O)O[*:1])n2nnnc2C)c1
COc1cccc(/C=C(/C(=O)OC2CCCC2)n2nnnc2C)c1 COc1cccc(c1)[*:1] Cc1nnnn1C(=C[*:1])C(=O)OC1CCCC1
COc1cccc(/C=C(/C(=O)OC2CCCC2)n2nnnc2C)c1 O=C(OC1CCCC1)[*:1] COc1cccc(/C=C(\n2nnnc2C)[*:1])c1
COc1cccc(/C=C(/C(=O)OC2CCCC2)n2nnnc2C)c1 Cc1nnnn1[*:1] COc1cccc(C=C(C(=O)OC2CCCC2)[*:1])c1
C#CCN([C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] C[C@H]1C[C@H](C[C@@H](C1)N([C@@H]1CCS(=O)(=O)C1)[*:1])c1ccccc1
C#CCN([C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN([C@@H]1C[C@@H](C)C[C@H](C1)c1ccccc1)[*:1]
C#CCN([C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] C#CCN([C@@H]1C[C@@H](C)C[C@@H](C1)[*:1])[C@@H]1CCS(=O)(=O)C1
CS[C@H]1CC[C@@H](NC(=O)c2cn(-c3nc(C)cc(C)n3)nc2C(C)C)C1 Cc1cc(C)nc(n1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1cn(nc1C(C)C)[*:1]
CS[C@H]1CC[C@@H](NC(=O)c2cn(-c3nc(C)cc(C)n3)nc2C(C)C)C1 CC(C)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1cn(nc1[*:1])-c1nc(C)cc(C)n1
CC(=O)N1CCN(c2ccccc2CN2CC[NH+](CCC(C)(C)C)CC2)CC1 CC(C)(C)C[*:1] CC(=O)N1CCN(CC1)c1ccccc1CN1CC[NH+](CC1)C[*:1]
CC(=O)N1CCN(c2ccccc2CN2CC[NH+](CCC(C)(C)C)CC2)CC1 CC(C)(C)[*:1] CC(=O)N1CCN(CC1)c1ccccc1CN1CC[NH+](CC1)CC[*:1]
CC(=O)N1CCN(c2ccccc2CN2CC[NH+](CCC(C)(C)C)CC2)CC1 CC(=O)N1CCN(CC1)[*:1] CC(C)(C)CC[NH+]1CCN(CC1)Cc1ccccc1[*:1]
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])C[C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] Cc1nc(C)c(s1)S(=O)(=O)/N=C(\[O-])C[*:1]
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])C[C@H]2CCCO2)s1 C1CO[C@H](C1)C[*:1] Cc1nc(C)c(s1)S(=O)(=O)/N=C(\[O-])[*:1]
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2ccco2)c1C c1coc(c1)CC[*:1] Cc1cc(cc(NC(=O)[*:1])c1C)S(=O)(=O)N(C)C
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2ccco2)c1C CN(C)S(=O)(=O)[*:1] Cc1cc(cc(NC(=O)CCc2ccco2)c1C)[*:1]
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2ccco2)c1C c1coc(c1)C[*:1] Cc1cc(cc(NC(=O)C[*:1])c1C)S(=O)(=O)N(C)C
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2ccco2)c1C c1coc(c1)[*:1] Cc1cc(cc(NC(=O)CC[*:1])c1C)S(=O)(=O)N(C)C
CNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)N1CCOC[C@H]1C)[*:1]
N#Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 O=S(=O)(N1CCCC1)[*:1] N#Cc1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
N#Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] CCS(=O)(=O)C[C@H](C)NC(=O)N1CCCC[C@@H]1CC[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] CCS(=O)(=O)C[C@H](C)NC(=O)N1CCCC[C@@H]1C[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N1CCCC[C@@H]1CCc1ccccc1 CCS(=O)(=O)[*:1] C[C@@H](C[*:1])NC(=O)N1CCCC[C@@H]1CCc1ccccc1
CCS(=O)(=O)C[C@H](C)NC(=O)N1CCCC[C@@H]1CCc1ccccc1 CCS(=O)(=O)C[*:1] C[C@H](NC(=O)N1CCCC[C@@H]1CCc1ccccc1)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] CCS(=O)(=O)C[C@H](C)NC(=O)N1CCCC[C@H]1[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccc(Oc3cccnc3)nc2)C1 c1cncc(c1)O[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)C(=O)Nc1ccc(nc1)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccc(Oc3cccnc3)nc2)C1 c1cncc(c1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)C(=O)Nc1ccc(nc1)O[*:1]
C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C c1ccc([nH+]c1)[*:1] C[C@H]([NH2+]CCC(=O)N1CCN(CC1)[*:1])C(C)(C)C
C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C CC(C)(C)[*:1] C[C@H]([NH2+]CCC(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccc(Br)cc1Cl
Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1S(=O)(=O)N1CCOCC1 Clc1cc(Br)ccc1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[*:1]
Clc1ccc2oc(C3CC[NH+](Cc4ccco4)CC3)nc2c1 c1coc(c1)C[*:1] Clc1ccc2oc(nc2c1)C1CC[NH+](CC1)[*:1]
Clc1ccc2oc(C3CC[NH+](Cc4ccco4)CC3)nc2c1 c1coc(c1)[*:1] Clc1ccc2oc(nc2c1)C1CC[NH+](CC1)C[*:1]
CCOc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 O=C(C(F)(F)F)[*:1] CCOc1ccc(cc1)NC(=O)[C@H]1CCCN1C=C[*:1]
CCOc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN1/C=C/C(=O)C(F)(F)F
CCOc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)NC(=O)[C@H]1CCCN1/C=C/C(=O)[*:1]
CC[C@H](NC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1nccs1 CC[S@](=O)[*:1] CC[C@H](NC(=O)N[C@@H]1CCC[C@H](C1)[*:1])c1nccs1
CC[C@H](NC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)N[C@@H]1CCC[C@@H](C1)[S@@](=O)CC)[*:1]
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1cccc2ncccc12 c1coc(c1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1C[*:1])C(=O)Nc1cccc2ncccc12
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1cccc2ncccc12 C1CC1[*:1] C[C@@H](Sc1nnc(n1Cc1ccco1)[*:1])C(=O)Nc1cccc2ncccc12
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1cccc2ncccc12 c1cc(c2cccnc2c1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)N[*:1]
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1cccc2ncccc12 c1coc(c1)C[*:1] C[C@@H](Sc1nnc(C2CC2)n1[*:1])C(=O)Nc1cccc2ncccc12
Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)C1)N2 C[C@@H](Oc1ccc(F)cc1)[*:1] Cc1cc2N[C@@H](C[C@H](C(F)F)n2n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)C1)N2 FC(F)[*:1] Cc1cc2N[C@@H](C[C@H](n2n1)[*:1])[C@@H]1CCCN(C1)C(=O)[C@@H](C)Oc1ccc(F)cc1
Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)C1)N2 Fc1ccc(cc1)[*:1] Cc1cc2N[C@@H](C[C@H](C(F)F)n2n1)[C@@H]1CCCN(C1)C(=O)[C@@H](C)O[*:1]
Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)C1)N2 Fc1ccc(cc1)O[*:1] Cc1cc2N[C@@H](C[C@H](C(F)F)n2n1)[C@@H]1CCCN(C1)C(=O)[C@@H](C)[*:1]
COC(=O)[C@H]1[NH+]=c2ccc(Br)cc2=C1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 COC(=O)[*:1] C[C@@H]1CN(CC(=O)NC2=c3cc(Br)ccc3=[NH+][C@@H]2[*:1])C[C@@H](C)O1
COC(=O)[C@H]1[NH+]=c2ccc(Br)cc2=C1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 C[C@@H]1CN(C[C@@H](C)O1)[*:1] COC(=O)[C@H]1[NH+]=c2ccc(Br)cc2=C1NC(=O)C[*:1]
CCN1C[C@@H](C(=O)Nc2ccccc2OCC2CC2)CC1=O C1CC1C[*:1] CCN1C[C@H](CC1=O)C(=O)Nc1ccccc1O[*:1]
CCN1C[C@@H](C(=O)Nc2ccccc2OCC2CC2)CC1=O C1CC1CO[*:1] CCN1C[C@H](CC1=O)C(=O)Nc1ccccc1[*:1]
CCN1C[C@@H](C(=O)Nc2ccccc2OCC2CC2)CC1=O C1CC1[*:1] CCN1C[C@H](CC1=O)C(=O)Nc1ccccc1OC[*:1]
O=c1c2nccnc2ncn1C[C@@H](c1ccccc1)[NH+]1CCCCC1 c1ccc(cc1)[*:1] O=c1c2nccnc2ncn1C[C@@H]([NH+]1CCCCC1)[*:1]
CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCCc3cc(C)cc(F)c32)cc1 CC(=O)N[*:1] Cc1cc(F)c2c(c1)CCCN2C(=O)[C@H](C)Sc1ccc(cc1)[*:1]
COc1ccccc1[C@@H]1CC(O)=Nc2sc3c(C)c(C#N)c(N)nc3c21 COc1ccccc1[*:1] Cc1c(C#N)c(N)nc2c3c(N=C(O)C[C@H]3[*:1])sc12
O=C(COC(=O)c1ccccc1O)NC12CC3CC(CC(C3)C1)C2 Oc1ccccc1[*:1] O=C(COC(=O)[*:1])NC12CC3CC(CC(C3)C1)C2
Cc1[nH+]c(C2CCN(C(=O)C[NH+](C)C)CC2)nc2c1CCCN2Cc1ccccn1 c1ccc(C[*:1])nc1 Cc1[nH+]c(nc2c1CCCN2[*:1])C1CCN(CC1)C(=O)C[NH+](C)C
Cc1[nH+]c(C2CCN(C(=O)C[NH+](C)C)CC2)nc2c1CCCN2Cc1ccccn1 c1ccc(nc1)[*:1] Cc1[nH+]c(nc2c1CCCN2C[*:1])C1CCN(CC1)C(=O)C[NH+](C)C
COCc1nn2c(C)c(C(=O)N3CC[NH+](C)CC3)nnc2c1-c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COCc1nn2c(C)c(nnc2c1[*:1])C(=O)N1CC[NH+](C)CC1
COCc1nn2c(C)c(C(=O)N3CC[NH+](C)CC3)nnc2c1-c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)-c1c(nn2c(C)c(nnc12)C(=O)N1CC[NH+](C)CC1)[*:1]
CCCc1[nH]nc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCc1[nH]nc(C(=O)N[C@@H]2CCC[C@@H](C2)C(F)(F)F)c1[*:1]
CCCc1[nH]nc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] CCC[*:1] O=C(N[C@@H]1CCC[C@@H](C1)C(F)(F)F)c1n[nH]c(c1[N+](=O)[O-])[*:1]
CCCc1[nH]nc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] FC(F)(F)[*:1] CCCc1[nH]nc(C(=O)N[C@@H]2CCC[C@H](C2)[*:1])c1[N+](=O)[O-]
Cc1nc(CNC(=O)c2ccccc2OC2CCN(S(C)(=O)=O)CC2)cs1 Cc1nc(cs1)C[*:1] CS(=O)(=O)N1CCC(CC1)Oc1ccccc1C(=O)N[*:1]
Cc1nc(CNC(=O)c2ccccc2OC2CCN(S(C)(=O)=O)CC2)cs1 Cc1nc(cs1)[*:1] CS(=O)(=O)N1CCC(CC1)Oc1ccccc1C(=O)NC[*:1]
C[C@@H](NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1nccs1 c1csc(n1)[*:1] C[C@@H](NC[C@@H](c1cccc(F)c1)[NH+](C)C)[*:1]
CC(C)[C@@H](CNC(=O)N1CCC1)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)N1CCC1)[*:1]
CC(C)(CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1)[*:1]
Cc1ccc(Cn2c([C@@H](C)Cl)nc3cccnc32)o1 Cc1ccc(o1)[*:1] C[C@@H](Cl)c1nc2cccnc2n1C[*:1]
Cc1ccc(Cn2c([C@@H](C)Cl)nc3cccnc32)o1 C[C@@H](Cl)[*:1] Cc1ccc(Cn2c(nc3cccnc32)[*:1])o1
Cc1ccc(C(=O)CCC(=O)Nc2ncccc2C)cc1 Cc1cccnc1[*:1] Cc1ccc(cc1)C(=O)CCC(=O)N[*:1]
Cc1ccc(C(=O)CCC(=O)Nc2ncccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccnc1NC(=O)CCC(=O)[*:1]
COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Br)c1OCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1cc(cc(Br)c1OC[*:1])[C@H]1SC(=NN1C(C)=O)NC(C)=O
COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Br)c1OCc1ccc(C)cc1 Cc1ccc(cc1)CO[*:1] COc1cc(cc(Br)c1[*:1])[C@H]1SC(=NN1C(C)=O)NC(C)=O
COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Br)c1OCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COc1cc(cc(Br)c1O[*:1])[C@H]1SC(=NN1C(C)=O)NC(C)=O
CCCC(=O)Nc1cccc(CNc2nc(-c3ccccn3)nc(C)c2C)c1 CCCC(=O)N[*:1] Cc1nc(nc(NCc2cccc(c2)[*:1])c1C)-c1ccccn1
CCCC(=O)Nc1cccc(CNc2nc(-c3ccccn3)nc(C)c2C)c1 CCC[*:1] Cc1nc(nc(NCc2cccc(c2)NC(=O)[*:1])c1C)-c1ccccn1
CCCC(=O)Nc1cccc(CNc2nc(-c3ccccn3)nc(C)c2C)c1 c1ccc(nc1)[*:1] CCCC(=O)Nc1cccc(c1)CNc1nc(nc(C)c1C)[*:1]
COc1ccc(OCC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)N[C@@H]([C@H]1CCCO1)[*:1]
COc1ccc(OCC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1
COC(=O)[C@]1(N)CCC[C@@H]1CCOc1ccccc1F COC(=O)[*:1] N[C@@]1(CCC[C@@H]1CCOc1ccccc1F)[*:1]
CC(=O)c1ccccc1C(=O)NCc1ccnc(OCC(F)F)c1 FC(F)C[*:1] CC(=O)c1ccccc1C(=O)NCc1ccnc(c1)O[*:1]
CC(=O)c1ccccc1C(=O)NCc1ccnc(OCC(F)F)c1 CC(=O)[*:1] O=C(NCc1ccnc(c1)OCC(F)F)c1ccccc1[*:1]
CC(=O)c1ccccc1C(=O)NCc1ccnc(OCC(F)F)c1 FC(F)[*:1] CC(=O)c1ccccc1C(=O)NCc1ccnc(c1)OC[*:1]
CC(=O)c1ccccc1C(=O)NCc1ccnc(OCC(F)F)c1 FC(F)CO[*:1] CC(=O)c1ccccc1C(=O)NCc1ccnc(c1)[*:1]
CC(C)(C)N1C[C@@H]([NH2+][C@H](CC2CCCCC2)c2ncccn2)CC1=O c1cnc(nc1)[*:1] CC(C)(C)N1C[C@H](CC1=O)[NH2+][C@H](CC1CCCCC1)[*:1]
CC(C)(C)N1C[C@@H]([NH2+][C@H](CC2CCCCC2)c2ncccn2)CC1=O C1CCC(CC1)C[*:1] CC(C)(C)N1C[C@H](CC1=O)[NH2+][C@H](c1ncccn1)[*:1]
CC(C)(C)N1C[C@@H]([NH2+][C@H](CC2CCCCC2)c2ncccn2)CC1=O C1CCC(CC1)[*:1] CC(C)(C)N1C[C@H](CC1=O)[NH2+][C@H](C[*:1])c1ncccn1
CC(C)(C)N1C[C@@H]([NH2+][C@H](CC2CCCCC2)c2ncccn2)CC1=O CC(C)(C)[*:1] O=C1C[C@@H](CN1[*:1])[NH2+][C@H](CC1CCCCC1)c1ncccn1
Cc1ccc(F)c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(F)c(c1)NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@H]1[*:1]
O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1F FC(F)(F)c1ccccc1[*:1] O=C(N[*:1])c1cc(ccc1F)S(=O)(=O)N1CCc2ccccc2C1
O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1F FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])c1cc(ccc1F)S(=O)(=O)N1CCc2ccccc2C1
CC(C)c1csc(/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)n1 Fc1ccc(cc1)[*:1] CC(C)c1csc(n1)/C(C#N)=C\c1csc(n1)[*:1]
CC(C)c1csc(/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)n1 CC(C)c1csc(n1)[*:1] N#CC(=Cc1csc(n1)-c1ccc(F)cc1)[*:1]
CC(C)c1csc(/C(C#N)=C\c2csc(-c3ccc(F)cc3)n2)n1 CC(C)[*:1] N#C/C(=C/c1csc(n1)-c1ccc(F)cc1)c1nc(cs1)[*:1]
N#Cc1ccc(NCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)NCC(=O)N1CCC[C@H](C1)[*:1]
Cc1cc(C)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)c(C)c1 N#Cc1ccccc1[*:1] Cc1cc(C)c(C(=O)N2CCCN(CC2)[*:1])c(C)c1
O=C(c1ccccc1F)N1CCCN(CC[NH+]2CCCC2)CC1 Fc1ccccc1[*:1] O=C(N1CCCN(CC1)CC[NH+]1CCCC1)[*:1]
Cc1cccc(OCCCC(=O)Nc2n[nH]c(-c3ccco3)n2)c1 c1coc(c1)[*:1] Cc1cccc(c1)OCCCC(=O)Nc1n[nH]c(n1)[*:1]
Cc1cccc(OCCCC(=O)Nc2n[nH]c(-c3ccco3)n2)c1 Cc1cccc(c1)[*:1] O=C(CCCO[*:1])Nc1n[nH]c(n1)-c1ccco1
Cc1cccc(OCCCC(=O)Nc2n[nH]c(-c3ccco3)n2)c1 Cc1cccc(c1)O[*:1] O=C(CCC[*:1])Nc1n[nH]c(n1)-c1ccco1
COc1ccc(OCC(=O)NCC#CCOc2ccccc2Cl)cc1 Clc1ccccc1O[*:1] COc1ccc(cc1)OCC(=O)NCC#CC[*:1]
COc1ccc(OCC(=O)NCC#CCOc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)OCC(=O)NCC#CCO[*:1]
COc1ccc(OCC(=O)NCC#CCOc2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])NCC#CCOc1ccccc1Cl
O=C([O-])[C@@H](c1ccc(-n2cccn2)cc1)[NH+]1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C([O-])[C@@H](c1ccc(cc1)-n1cccn1)[NH+]1CCN(CC1)[*:1]
O=C([O-])[C@@H](c1ccc(-n2cccn2)cc1)[NH+]1CCN(c2ncccn2)CC1 c1cnn(c1)[*:1] O=C([O-])[C@@H](c1ccc(cc1)[*:1])[NH+]1CCN(CC1)c1ncccn1
Nc1c([N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] Nc1c(cnn1-c1ccc(cn1)[*:1])[N+](=O)[O-]
Nc1c([N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cn1 O=[N+]([O-])[*:1] Nc1c(cnn1-c1ccc(cn1)C(F)(F)F)[*:1]
CN(C(=O)CSc1nc([O-])cc(-c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CSc1nc([O-])cc(n1)[*:1])c1ccccc1
CN(C(=O)CSc1nc([O-])cc(-c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CSc1nc([O-])cc(n1)-c1ccccc1)[*:1]
COC(=O)[C@@H](CNC(=O)c1c[nH]c2cccc(F)c12)CC(C)C COC(=O)[*:1] CC(C)C[C@H](CNC(=O)c1c[nH]c2cccc(F)c12)[*:1]
COC(=O)[C@@H](CNC(=O)c1c[nH]c2cccc(F)c12)CC(C)C CC(C)[*:1] COC(=O)[C@@H](CNC(=O)c1c[nH]c2cccc(F)c12)C[*:1]
COC(=O)[C@@H](CNC(=O)c1c[nH]c2cccc(F)c12)CC(C)C CC(C)C[*:1] COC(=O)[C@@H](CNC(=O)c1c[nH]c2cccc(F)c12)[*:1]
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@H](c2cccs2)N1C[C@H]1CCCO1)[*:1]
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1)c1ccccc1 C1CO[C@H](C1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccs1)c1ccccc1
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccs2)N1C[C@H]1CCCO1
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1)c1ccccc1 C1CO[C@H](C1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1cccs1)[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1)c1ccccc1 c1csc(c1)[*:1] O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@@H]1[*:1])c1ccccc1
CC(C)c1nc(C(=O)NCCC2CCCCC2)n[nH]1 C1CCC(CC1)[*:1] CC(C)c1nc(n[nH]1)C(=O)NCC[*:1]
CC(C)c1nc(C(=O)NCCC2CCCCC2)n[nH]1 CC(C)[*:1] O=C(NCCC1CCCCC1)c1n[nH]c(n1)[*:1]
CC(=O)Cn1c(C(=O)[O-])nc2cccnc21 CC(=O)C[*:1] O=C([O-])c1nc2cccnc2n1[*:1]
CC(=O)Cn1c(C(=O)[O-])nc2cccnc21 CC(=O)[*:1] O=C([O-])c1nc2cccnc2n1C[*:1]
CC(=O)Cn1c(C(=O)[O-])nc2cccnc21 O=C([O-])[*:1] CC(=O)Cn1c(nc2cccnc21)[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)c(c1)[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCCC1)[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCCCC1
Cc1ccc(NC(=O)N2C[C@H](C)CC[C@@H]2C)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N1C[C@H](C)CC[C@@H]1C
CS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 CS(=O)(=O)[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)c1cccc(c1)[*:1]
CS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 C1CC1[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc2nc(oc2c1)[*:1]
O=C(NCCc1ccncc1)c1cc2cccnn2n1 c1cc(ccn1)[*:1] O=C(NCC[*:1])c1cc2cccnn2n1
C[C@H](C(=O)OCc1nncn1C1CC1)c1ccc2ccccc2c1 c1nnc(n1C1CC1)[*:1] C[C@H](C(=O)OC[*:1])c1ccc2ccccc2c1
C[C@H](C(=O)OCc1nncn1C1CC1)c1ccc2ccccc2c1 C1CC1[*:1] C[C@H](C(=O)OCc1nncn1[*:1])c1ccc2ccccc2c1
CCC[C@@H]1[C@H](C)CCCN1C(=O)NCc1cnn(C)c1 Cn1cc(cn1)[*:1] CCC[C@@H]1[C@H](C)CCCN1C(=O)NC[*:1]
CCC[C@@H]1[C@H](C)CCCN1C(=O)NCc1cnn(C)c1 CCC[*:1] C[C@@H]1CCCN(C(=O)NCc2cnn(C)c2)[C@@H]1[*:1]
CN(C(=O)CC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(C(=O)CC1([NH3+])CCC1)c1ccc(cc1)[*:1]
C/C(=N\NC(=O)Cc1c(C)nc(C)[nH]c1=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=NNC(=O)Cc1c(C)nc(C)[nH]c1=O)[*:1]
CC(C)Oc1ccc(C(=O)NC(=S)NC(C)(C)C)cc1Br CC(C)O[*:1] CC(C)(C)NC(=S)NC(=O)c1ccc(c(Br)c1)[*:1]
CC(C)Oc1ccc(C(=O)NC(=S)NC(C)(C)C)cc1Br CC(C)[*:1] CC(C)(C)NC(=S)NC(=O)c1ccc(O[*:1])c(Br)c1
CC(C)Oc1ccc(C(=O)NC(=S)NC(C)(C)C)cc1Br CC(C)(C)[*:1] CC(C)Oc1ccc(cc1Br)C(=O)NC(=S)N[*:1]
C#CCn1/c(=N\C(=O)c2cccc(S(=O)(=O)CC)c2)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] C#CCn1/c(=N\C(=O)c2cccc(c2)S(=O)(=O)CC)sc2cc(ccc21)[*:1]
C#CCn1/c(=N\C(=O)c2cccc(S(=O)(=O)CC)c2)sc2cc(S(C)(=O)=O)ccc21 CCS(=O)(=O)[*:1] C#CCn1/c(=N\C(=O)c2cccc(c2)[*:1])sc2cc(ccc21)S(C)(=O)=O
C#CCn1/c(=N\C(=O)c2cccc(S(=O)(=O)CC)c2)sc2cc(S(C)(=O)=O)ccc21 C#CC[*:1] CCS(=O)(=O)c1cccc(c1)C(=O)/N=c1/sc2cc(ccc2n1[*:1])S(C)(=O)=O
CCc1ccc([C@H](CNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)[*:1]
Cc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)Nc1cccc(C#N)c1)[*:1]
Cc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2)N2CCOCC2)cc1 N#Cc1cccc(c1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)N[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)NC[C@@H](N1CCOCC1)[*:1]
Fc1ccc(Cc2nnc(CCCCl)o2)c(F)c1 ClCC[*:1] Fc1ccc(Cc2nnc(C[*:1])o2)c(F)c1
Fc1ccc(Cc2nnc(CCCCl)o2)c(F)c1 ClCCC[*:1] Fc1ccc(Cc2nnc(o2)[*:1])c(F)c1
CCCOCC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] CCCOCC(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCCOCC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 CCC[*:1] O=C(CO[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
CCCOCC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] CCCOCC(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
CCCOCC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 CCCO[*:1] O=C(C[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
CCCOCC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 CCCOC[*:1] O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
C[C@@H](C(=O)[O-])n1ccc(C(=O)NC2CCCCCCC2)n1 O=C([O-])[*:1] C[C@@H](n1ccc(n1)C(=O)NC1CCCCCCC1)[*:1]
Cc1cccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)c1 Cc1cccc(c1)[*:1] O=C(NC[C@H]1CCCO1)c1nn(c(=O)n(Cc2cccc(c2)C(F)(F)F)c1=O)[*:1]
Cc1cccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1cccc(c1)-n1nc(C(=O)NC[C@H]2CCCO2)c(=O)n(C[*:1])c1=O
Cc1cccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)c1 FC(F)(F)[*:1] Cc1cccc(c1)-n1nc(C(=O)NC[C@H]2CCCO2)c(=O)n(Cc2cccc(c2)[*:1])c1=O
Cc1cccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)c1 FC(F)(F)c1cccc(c1)C[*:1] Cc1cccc(c1)-n1nc(C(=O)NC[C@H]2CCCO2)c(=O)n(c1=O)[*:1]
COCCN(C)C(=O)Nc1ccc(Br)cc1Cl COCC[*:1] CN(C(=O)Nc1ccc(Br)cc1Cl)[*:1]
COCCN(C)C(=O)Nc1ccc(Br)cc1Cl COC[*:1] CN(C[*:1])C(=O)Nc1ccc(Br)cc1Cl
CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CCN1CCOCC1(C)C CC(C)[*:1] CC1(C)COCCN1CC[C@H]1CCC[C@@]1(CO)[NH2+][*:1]
CCn1/c(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)sc2c(OC)ccc(OC)c21 Fc1ccc(cc1)[*:1] CCn1/c(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)[*:1])sc2c(ccc(OC)c21)OC
O=C(Nc1cc(F)ccc1Cl)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cc(F)ccc1Cl)[C@@H](O)[*:1]
COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 c1ncn(n1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 CS(=O)(=O)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1cc(ccc1Cl)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 CN(C)S(=O)(=O)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)NC(=O)c1ccc(cc1)[*:1]
Cc1nn(CC(=O)NCc2cn(-c3ccccc3)nn2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] O=C(C[*:1])NCc1cn(nn1)-c1ccccc1
Cc1nn(CC(=O)NCc2cn(-c3ccccc3)nn2)c(C)c1Cl c1ccc(cc1)[*:1] Cc1nn(CC(=O)NCc2cn(nn2)[*:1])c(C)c1Cl
Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c(C)c1Sc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)[*:1])c(C)c1Sc1ccccc1
Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c(C)c1Sc1ccccc1 c1ccc(cc1)S[*:1] Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c(C)c1[*:1]
Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c(C)c1Sc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c(C)c1S[*:1]
O=S(=O)(CCCNc1ncccn1)Cc1ccccc1F c1cnc(nc1)N[*:1] O=S(=O)(CCC[*:1])Cc1ccccc1F
O=S(=O)(CCCNc1ncccn1)Cc1ccccc1F c1cnc(nc1)[*:1] O=S(=O)(CCCN[*:1])Cc1ccccc1F
O=S(=O)(CCCNc1ncccn1)Cc1ccccc1F Fc1ccccc1[*:1] O=S(=O)(CCCNc1ncccn1)C[*:1]
COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3cccc(F)c3)nc12 Fc1cccc(c1)[*:1] COc1cccc2sc(nc12)N(CCC[NH+](C)C)C(=O)[*:1]
C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO OCC[*:1] C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1S(=O)(=O)N(C)[*:1]
C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO CN(CCO)S(=O)(=O)[*:1] C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC(F)(F)F O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1Br)[*:1])NCC(F)(F)F
O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC(F)(F)F FC(F)(F)C[*:1] O=C(Cc1ccc(cc1Br)[N+](=O)[O-])N[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC(F)(F)F FC(F)(F)[*:1] O=C(Cc1ccc(cc1Br)[N+](=O)[O-])NC[*:1]
Cc1ccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)CNC(=O)NCC[NH+](C(C)C)[*:1]
Cc1ccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[NH+](CCNC(=O)NC[*:1])C(C)C
Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@H]([NH3+])C12CCCC2 O=[N+]([O-])[*:1] Cc1cc(Br)cc(c1O[C@@H]1C[C@H]([NH3+])C12CCCC2)[*:1]
CC(C)[C@@H](CO)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 CC(C)[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)N[C@H](CO)[*:1]
O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] O=C1CCC(=O)N1c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c(c1)[*:1]
O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 O=C1CCC(=O)N1[*:1] O=S(=O)(Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(cc1)[*:1]
O=c1c2cc(I)ccc2nc(/C=C/c2ccccn2)n1Cc1ccccc1 c1ccc(cc1)[*:1] O=c1c2cc(I)ccc2nc(/C=C/c2ccccn2)n1C[*:1]
O=c1c2cc(I)ccc2nc(/C=C/c2ccccn2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] O=c1c2cc(I)ccc2nc(/C=C/c2ccccn2)n1[*:1]
O=c1c2cc(I)ccc2nc(/C=C/c2ccccn2)n1Cc1ccccc1 c1ccc(nc1)[*:1] O=c1c2cc(I)ccc2nc(C=C[*:1])n1Cc1ccccc1
O=c1c2cc(I)ccc2nc(/C=C/c2ccccn2)n1Cc1ccccc1 C(=C[*:1])c1ccccn1 O=c1c2cc(I)ccc2nc(n1Cc1ccccc1)[*:1]
Cc1cccc(N2C(N)=[NH+]C[C@H]2c2cn(CCO)nn2)c1 OCC[*:1] Cc1cccc(c1)N1C(N)=[NH+]C[C@H]1c1cn(nn1)[*:1]
Cc1cccc(N2C(N)=[NH+]C[C@H]2c2cn(CCO)nn2)c1 Cc1cccc(c1)[*:1] NC1=[NH+]C[C@@H](c2cn(CCO)nn2)N1[*:1]
CCN1CC(=O)Nc2cc(C(=O)N[C@H](C)c3cccc(Cl)c3)ccc21 Clc1cccc(c1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[C@H](C)[*:1]
Cc1ccc2[nH]cc(CCC(=O)NNC(=O)C(=O)NC(C)C)c2c1 CC(C)[*:1] Cc1ccc2[nH]cc(CCC(=O)NNC(=O)C(=O)N[*:1])c2c1
COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)o2)c1OC CC1CCN(CC1)S(=O)(=O)[*:1] COc1cccc(-c2nnc(NC(=O)c3ccc(cc3)[*:1])o2)c1OC
COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)o2)c1OC COc1cccc(c1OC)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
COCCOCC(=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] COCCOCC(=O)N1CCN(CC1)[*:1]
COCCOCC(=O)N1CCN(c2ccccc2Cl)CC1 COCCOC[*:1] O=C(N1CCN(CC1)c1ccccc1Cl)[*:1]
COCCOCC(=O)N1CCN(c2ccccc2Cl)CC1 COCCO[*:1] O=C(C[*:1])N1CCN(CC1)c1ccccc1Cl
COCCOCC(=O)N1CCN(c2ccccc2Cl)CC1 COCC[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccccc1Cl
COCCOCC(=O)N1CCN(c2ccccc2Cl)CC1 COC[*:1] O=C(COC[*:1])N1CCN(CC1)c1ccccc1Cl
COc1ccccc1NC1CCN(C(=O)N[C@@H](C)C(C)C)CC1 CC(C)[*:1] COc1ccccc1NC1CCN(CC1)C(=O)N[C@@H](C)[*:1]
COc1ccccc1NC1CCN(C(=O)N[C@@H](C)C(C)C)CC1 CC(C)[C@H](C)[*:1] COc1ccccc1NC1CCN(CC1)C(=O)N[*:1]
CCn1cc(-c2ccn(-c3ccc(NC(=O)c4cc5c(C(F)(F)F)nn(C)c5s4)cc3)n2)c(C)n1 CCn1cc(c(C)n1)[*:1] Cn1nc(c2cc(sc21)C(=O)Nc1ccc(cc1)-n1ccc(n1)[*:1])C(F)(F)F
CCn1cc(-c2ccn(-c3ccc(NC(=O)c4cc5c(C(F)(F)F)nn(C)c5s4)cc3)n2)c(C)n1 FC(F)(F)[*:1] CCn1cc(-c2ccn(n2)-c2ccc(cc2)NC(=O)c2cc3c(nn(C)c3s2)[*:1])c(C)n1
OCCOCC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 OCC[*:1] Oc1cc(cc2C[NH+](CCOc12)CCO[*:1])-c1cccc(Cl)c1
OCCOCC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 OCCO[*:1] Oc1cc(cc2C[NH+](CCOc12)CC[*:1])-c1cccc(Cl)c1
OCCOCC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 OCCOCC[*:1] Oc1cc(cc2C[NH+](CCOc12)[*:1])-c1cccc(Cl)c1
OCCOCC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 OCCOC[*:1] Oc1cc(cc2C[NH+](CCOc12)C[*:1])-c1cccc(Cl)c1
OCCOCC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 Clc1cccc(c1)[*:1] OCCOCC[NH+]1CCOc2c(O)cc(cc2C1)[*:1]
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@@H](SCC(C)C)N3N2)cc1 CC(C)CS[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@@H](N2N1)[*:1]
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@@H](SCC(C)C)N3N2)cc1 CC(C)C[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@@H](S[*:1])N2N1
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@@H](SCC(C)C)N3N2)cc1 CC(C)[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@@H](SC[*:1])N2N1
C/C(=N/Nc1nc(C)cc(=O)[nH]1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C/C(=N/Nc1nc(C)cc(=O)[nH]1)c1ccc(cc1)[*:1]
Cc1cnc([C@@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 Cc1cnc(s1)[C@@H](C)[*:1] O=C(N[*:1])N1CCC[C@@H](C1)C[NH+]1CCCCCC1
Cc1cnc([C@@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)C[NH+]1CCCCCC1)[*:1]
C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C(\C)c1ccc(F)cc1 C=CC[*:1] C/C(=N\N=C1\S[C@H](Cc2ccccc2)C(=O)N1[*:1])c1ccc(F)cc1
C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C(\C)c1ccc(F)cc1 c1ccc(cc1)[*:1] C=CCN1C(=O)[C@@H](C[*:1])S/C1=N/N=C(\C)c1ccc(F)cc1
C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C(\C)c1ccc(F)cc1 c1ccc(cc1)C[*:1] C=CCN1C(=O)[C@@H](S/C1=N/N=C(\C)c1ccc(F)cc1)[*:1]
C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C(\C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C(C)[*:1]
CN(C)C(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 CN(C)C(=O)C[*:1] O=C1c2ccccc2[C@@H](c2c([nH]c3ccccc23)-c2ccccc2)N1[*:1]
CN(C)C(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 CN(C)C(=O)[*:1] O=C1c2ccccc2[C@@H](c2c([nH]c3ccccc23)-c2ccccc2)N1C[*:1]
CN(C)C(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 c1ccc(cc1)[*:1] CN(C)C(=O)CN1C(=O)c2ccccc2[C@H]1c1c([nH]c2ccccc12)[*:1]
COc1cccc(OCCNC(=O)Nc2cccnc2-n2cccn2)c1 c1cnn(c1)[*:1] COc1cccc(c1)OCCNC(=O)Nc1cccnc1[*:1]
COc1cccc(OCCNC(=O)Nc2cccnc2-n2cccn2)c1 COc1cccc(c1)[*:1] O=C(NCCO[*:1])Nc1cccnc1-n1cccn1
COc1ccccc1NC(=O)Nc1nnc(COc2cccc(C)c2)s1 Cc1cccc(c1)[*:1] COc1ccccc1NC(=O)Nc1nnc(CO[*:1])s1
COc1ccccc1NC(=O)Nc1nnc(COc2cccc(C)c2)s1 Cc1cccc(c1)O[*:1] COc1ccccc1NC(=O)Nc1nnc(C[*:1])s1
COc1ccccc1NC(=O)Nc1nnc(COc2cccc(C)c2)s1 COc1ccccc1[*:1] Cc1cccc(c1)OCc1nnc(NC(=O)N[*:1])s1
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sc(C)cc2OC)c1 COc1cc(C)sc1[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)[*:1]
O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C1c2cccc3cccc(C(=O)N1C[*:1])c23
CCOc1ccc2nc(SC(F)(F)C(=O)[O-])sc2c1 O=C([O-])[*:1] CCOc1ccc2nc(SC(F)(F)[*:1])sc2c1
CCOc1ccc2nc(SC(F)(F)C(=O)[O-])sc2c1 CCO[*:1] O=C([O-])C(F)(F)Sc1nc2ccc(cc2s1)[*:1]
CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1[*:1]
CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 CC(C)[*:1] O=S(=O)(c1ccc(cc1)C[*:1])N1CCC[C@@H]1c1ccc(F)cc1
CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 CC(C)C[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC[C@@H]1c1ccc(F)cc1
O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2F)s1 O=[N+]([O-])[*:1] O=S(=O)(Oc1ccccc1F)c1ccc(s1)[*:1]
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2nonc12 COC(=O)[*:1] O=S(=O)(N[C@@H](Cc1c[nH]c2ccccc12)[*:1])c1cccc2nonc12
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2nonc12 c1cc(c2nonc2c1)[*:1] COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)[*:1]
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2nonc12 c1ccc2c(c[nH]c2c1)[*:1] COC(=O)[C@H](C[*:1])NS(=O)(=O)c1cccc2nonc12
CS(=O)(=O)[N-]c1ccc(OC(=O)/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)[N-]c1ccc(cc1)OC(=O)C=C[*:1]
COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1 COC(=O)[*:1] Brc1ccc(cc1)[C@@H]1C[NH2+]C[C@@H]1[*:1]
CC(C)n1cc[nH+]c1C1CCN(C(=O)c2cc3ccccc3s2)CC1 CC(C)[*:1] O=C(c1cc2ccccc2s1)N1CCC(CC1)c1[nH+]ccn1[*:1]
CCc1cccc(N[C@H]2c3ncccc3C(=O)N2Cc2ccc(OC)cc2)c1 CCc1cccc(c1)N[*:1] COc1ccc(cc1)CN1C(=O)c2cccnc2[C@@H]1[*:1]
CCc1cccc(N[C@H]2c3ncccc3C(=O)N2Cc2ccc(OC)cc2)c1 CCc1cccc(c1)[*:1] COc1ccc(cc1)CN1C(=O)c2cccnc2[C@@H]1N[*:1]
CCc1cccc(N[C@H]2c3ncccc3C(=O)N2Cc2ccc(OC)cc2)c1 COc1ccc(cc1)C[*:1] CCc1cccc(c1)N[C@H]1c2ncccc2C(=O)N1[*:1]
CCc1cccc(N[C@H]2c3ncccc3C(=O)N2Cc2ccc(OC)cc2)c1 COc1ccc(cc1)[*:1] CCc1cccc(c1)N[C@H]1c2ncccc2C(=O)N1C[*:1]
C[C@@H](c1ccco1)N(C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)NC[C@H]1CCN(C1)c1ccc(F)cc1)[*:1]
C[C@@H](c1ccco1)N(C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)NC[C@H]1CCN(C1)c1ccc(F)cc1)C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)C1CC1 Fc1ccc(cc1)[*:1] C[C@@H](c1ccco1)N(C(=O)NC[C@H]1CCN(C1)[*:1])C1CC1
C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(C(N)=O)o3)cn2)CC1 NC(=O)c1ccc(o1)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)NC[*:1]
C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(C(N)=O)o3)cn2)CC1 NC(=O)c1ccc(C[*:1])o1 C[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)N[*:1]
C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(C(N)=O)o3)cn2)CC1 NC(=O)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)NCc1ccc(o1)[*:1]
Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CC(=O)N[*:1])[NH2+][C@H]1CCS(=O)(=O)C1
CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1c(F)cccc1Cl O=C([O-])[*:1] CC(=O)N1[C@H](SC[C@@H]1[*:1])c1c(F)cccc1Cl
N#Cc1ccc(C(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 c1cc2OCOc2cc1[*:1] N#Cc1ccc(cc1)C(=O)N1Cc2nc[nH]c2C[C@H]1c1nc(no1)[*:1]
N#Cc1ccc(C(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N1Cc2nc[nH]c2C[C@H]1c1nc(no1)-c1ccc2OCOc2c1)[*:1]
CNS(=O)(=O)CC(=O)N[C@H](C)Cc1c(Cl)cccc1Cl CNS(=O)(=O)C[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[*:1]
CNS(=O)(=O)CC(=O)N[C@H](C)Cc1c(Cl)cccc1Cl CNS(=O)(=O)[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C[*:1]
O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 c1ccc(cc1)[*:1] O=C(NCCc1cccs1)C1CC[NH+](CC1)Cc1ccc(o1)[*:1]
O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 c1csc(c1)CC[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1ccc(o1)-c1ccccc1
O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 c1csc(c1)C[*:1] O=C(NC[*:1])C1CC[NH+](CC1)Cc1ccc(o1)-c1ccccc1
O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 c1csc(c1)[*:1] O=C(NCC[*:1])C1CC[NH+](CC1)Cc1ccc(o1)-c1ccccc1
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1I C=CCO[*:1] CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(c(I)c1)[*:1]
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1I CN(C)C(=O)[*:1] C=CCOc1c(Br)cc(C=C(C#N)[*:1])cc1I
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1I C=CC[*:1] CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(O[*:1])c(I)c1
Cc1ccc(C[C@@H](Cc2cc(F)cc(Br)c2)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)C[C@@H](Cc1cc(F)cc(Br)c1)[*:1]
Cc1ccc(C[C@@H](Cc2cc(F)cc(Br)c2)C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C([O-])[C@H](Cc1cc(F)cc(Br)c1)C[*:1]
CN(CCOCC1CC1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 C1CC1CO[*:1] CN(CC[*:1])C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O
CN(CCOCC1CC1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 C1CC1COC[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O
CN(CCOCC1CC1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] CN(CCOCC1CC1)C(=O)Nc1ccc(cc1)[*:1]
CN(CCOCC1CC1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 C1CC1[*:1] CN(CCOC[*:1])C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O
CN(CCOCC1CC1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 C(C[*:1])OCC1CC1 CN(C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O)[*:1]
CN(CCOCC1CC1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 C1CC1C[*:1] CN(CCO[*:1])C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O
CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1 Fc1ccc(cc1)[*:1] CC(C)(C)c1cc(NC(=O)[*:1])n(n1)-c1ccccc1
CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1 CC(C)(C)[*:1] O=C(Nc1cc(nn1-c1ccccc1)[*:1])c1ccc(F)cc1
CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2)n(n1)[*:1]
C[C@H](N[C@H](CO)c1cnn(C)c1)c1cccc(F)c1 Cn1cc(cn1)[*:1] C[C@H](N[C@H](CO)[*:1])c1cccc(F)c1
CC[C@@H]1CCC[C@](C[NH3+])([C@@](O)(CC)C2CC2)C1 C1CC1[*:1] CC[C@@H]1CCC[C@@](C[NH3+])(C1)[C@@](O)(CC)[*:1]
CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NC1CCCC1 C1CCC(C1)[*:1] CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N[*:1]
CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] CN(C(=O)c1ccc(Br)o1)c1ccccc1[*:1]
CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NC1CCCC1 Brc1ccc(o1)[*:1] CN(C(=O)[*:1])c1ccccc1C(=O)NC1CCCC1
COc1cc(Cc2nc(Cc3ccc(F)cc3)no2)ccc1C Fc1ccc(cc1)[*:1] COc1cc(ccc1C)Cc1nc(C[*:1])no1
Cc1cc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(nc(n1)[*:1])OCC(=O)N1CCN(CC1)c1ccc(F)cc1
Cc1cc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(nc(n1)-c1ccc(F)cc1)OCC(=O)N1CCN(CC1)[*:1]
COc1ccc2c(c1)OC[C@@H](NC(=O)CCCn1ccnn1)C2 c1cn(nn1)[*:1] COc1ccc2C[C@@H](COc2c1)NC(=O)CCC[*:1]
COc1ccc2c(c1)OC[C@@H](NC(=O)CCCn1ccnn1)C2 c1cn(C[*:1])nn1 COc1ccc2C[C@@H](COc2c1)NC(=O)CC[*:1]
COc1ccc2c(c1)OC[C@@H](NC(=O)CCCn1ccnn1)C2 c1cn(CC[*:1])nn1 COc1ccc2C[C@@H](COc2c1)NC(=O)C[*:1]
CC(C)(C)Oc1ccccc1NC(=O)C[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(C)Oc1ccccc1NC(=O)C[C@H](O)[*:1]
CC(C)(C)Oc1ccccc1NC(=O)C[C@H](O)c1cccc(F)c1 CC(C)(C)[*:1] O=C(C[C@H](O)c1cccc(F)c1)Nc1ccccc1O[*:1]
CC(C)(C)Oc1ccccc1NC(=O)C[C@H](O)c1cccc(F)c1 CC(C)(C)O[*:1] O=C(C[C@H](O)c1cccc(F)c1)Nc1ccccc1[*:1]
CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)C1 CCc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1c[nH]c(c1)C(=O)N1CCCCCC1
CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)C1 O=C(N1CCCCCC1)[*:1] CCc1ccccc1NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1c[nH]c(c1)[*:1]
CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)C1 CCc1ccccc1NC(=O)[*:1] O=C(c1cc(c[nH]1)S(=O)(=O)N1CCC[C@H](C1)[*:1])N1CCCCCC1
N#C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCO1 Fc1cc(ccc1Cl)[*:1] N#C[C@@H]1CN(CCO1)C(=O)N[C@@H]1CCO[C@@H]1[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 CCCC[*:1] CC(C)(C)c1ncc(cn1)NC(=O)C(=O)N[C@H]1CCC[C@@H]1[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 CC(C)(C)[*:1] CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cnc(nc1)[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 CCC[*:1] CC(C)(C)c1ncc(cn1)NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[*:1]
O=S(=O)(/N=C(\[O-])COCC1CC1)c1ccccc1F C1CC1[*:1] O=S(=O)(/N=C(\[O-])COC[*:1])c1ccccc1F
O=S(=O)(/N=C(\[O-])COCC1CC1)c1ccccc1F C1CC1COC[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1ccccc1F
O=S(=O)(/N=C(\[O-])COCC1CC1)c1ccccc1F C1CC1C[*:1] O=S(=O)(/N=C(\[O-])CO[*:1])c1ccccc1F
O=S(=O)(/N=C(\[O-])COCC1CC1)c1ccccc1F C1CC1CO[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1ccccc1F
CCOc1ccccc1[C@@H](CC)NC(=O)[C@@H]1CSCN1C(=O)CC CCO[*:1] CCC(=O)N1CSC[C@H]1C(=O)N[C@H](CC)c1ccccc1[*:1]
CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2=O)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)[*:1])s1
CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2=O)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)c2ccc(cc2)[*:1])s1
O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccc(Cl)cc1 c1cncc(c1)[*:1] O=C(Oc1ccc2C(=O)C(=C[*:1])Oc2c1)c1ccc(Cl)cc1
O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1/C(=C/c2cccnc2)Oc2cc(ccc21)OC(=O)[*:1]
O=C(Nc1cc(-c2ccccc2)no1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(Nc1cc(no1)[*:1])c1ccc(F)cc1
O=C(Nc1cc(-c2ccccc2)no1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cc(no1)-c1ccccc1)[*:1]
Cc1nc(-c2cccc(NC(=O)C[C@@H]3COCC[NH2+]3)c2)cs1 Cc1nc(cs1)[*:1] O=C(C[C@@H]1COCC[NH2+]1)Nc1cccc(c1)[*:1]
O=C(/C=C/c1nc2ccccc2s1)OC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(/C=C/c1nc2ccccc2s1)O[*:1]
O=C(/C=C/c1nc2ccccc2s1)OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(/C=C/c1nc2ccccc2s1)OC[*:1]
O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(CSc1nc(c[nH]1)[*:1])Nc1cccc(Cl)c1
O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CSc1nc(c[nH]1)-c1ccccc1)N[*:1]
CCOC[C@]1(O)C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 CCOC[*:1] O[C@@]1(C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)[*:1]
CCOC[C@]1(O)C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 CCO[*:1] O[C@]1(C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)C[*:1]
COCCNC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C c1ccc(cc1)[*:1] COCCNC(=O)Cc1c(C)nc2c(c(C)nn2c1C)[*:1]
COCCNC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C COCCNC(=O)[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1C[*:1]
COCCNC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C COC[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)NC[*:1]
COCCNC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C COCC[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)N[*:1]
COCCNC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C COCCNC(=O)C[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1[*:1]
CCC[NH+](CCO)CC(=O)Nc1nc(C)cs1 CCC[*:1] Cc1csc(n1)NC(=O)C[NH+](CCO)[*:1]
CCC[NH+](CCO)CC(=O)Nc1nc(C)cs1 OCC[*:1] CCC[NH+](CC(=O)Nc1nc(C)cs1)[*:1]
O=C(CCCn1ccnn1)OC[C@H]1CC1(Cl)Cl c1cn(nn1)[*:1] O=C(CCC[*:1])OC[C@H]1CC1(Cl)Cl
O=C(CCCn1ccnn1)OC[C@H]1CC1(Cl)Cl ClC1(Cl)C[C@@H]1[*:1] O=C(CCCn1ccnn1)OC[*:1]
COc1ccccc1NC(=S)N(Cc1ccc(C)o1)C1CCCCC1 Cc1ccc(o1)[*:1] COc1ccccc1NC(=S)N(C[*:1])C1CCCCC1
COc1ccccc1NC(=S)N(Cc1ccc(C)o1)C1CCCCC1 C1CCC(CC1)[*:1] COc1ccccc1NC(=S)N(Cc1ccc(C)o1)[*:1]
COc1ccccc1NC(=S)N(Cc1ccc(C)o1)C1CCCCC1 COc1ccccc1[*:1] Cc1ccc(CN(C(=S)N[*:1])C2CCCCC2)o1
COc1ccccc1NC(=S)N(Cc1ccc(C)o1)C1CCCCC1 Cc1ccc(C[*:1])o1 COc1ccccc1NC(=S)N(C1CCCCC1)[*:1]
CCCc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)no1 Cc1ccccc1[*:1] CCCc1cc(no1)C(=O)N1CCC[C@H](C1)N1CCN(CC1)[*:1]
CCCc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)no1 CCCc1cc(no1)[*:1] Cc1ccccc1N1CCN(CC1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)no1 CCC[*:1] Cc1ccccc1N1CCN(CC1)[C@@H]1CCCN(C1)C(=O)c1cc(on1)[*:1]
CCNC(=O)COc1ccc(NC(=O)c2cccc(CC)c2O)cc1 CCNC(=O)CO[*:1] CCc1cccc(C(=O)Nc2ccc(cc2)[*:1])c1O
CCNC(=O)COc1ccc(NC(=O)c2cccc(CC)c2O)cc1 CCNC(=O)[*:1] CCc1cccc(C(=O)Nc2ccc(cc2)OC[*:1])c1O
CCNC(=O)COc1ccc(NC(=O)c2cccc(CC)c2O)cc1 CCNC(=O)C[*:1] CCc1cccc(C(=O)Nc2ccc(cc2)O[*:1])c1O
CC[C@@H](CSC)N(C)C(=O)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CC[C@@H](CSC)N(C)C(=O)[C@@H](C)C[*:1]
CC[C@@H](CSC)N(C)C(=O)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CC[C@@H](CSC)N(C)C(=O)[C@@H](C)[*:1]
CC[C@@H](CSC)N(C)C(=O)[C@@H](C)CS(C)(=O)=O CSC[*:1] CC[C@@H](N(C)C(=O)[C@@H](C)CS(C)(=O)=O)[*:1]
CCCn1ccnc1-c1cc(C)nc(NCC)n1 CCN[*:1] CCCn1ccnc1-c1cc(C)nc(n1)[*:1]
CCCn1ccnc1-c1cc(C)nc(NCC)n1 CCC[*:1] CCNc1nc(C)cc(n1)-c1nccn1[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] CCOC(=O)/C=C/c1ccc(cc1)NC(=O)NC[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1 CCOC(=O)C=C[*:1] O=C(NCC(=O)N1CCCC1)Nc1ccc(cc1)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1 O=C(C[*:1])N1CCCC1 CCOC(=O)/C=C/c1ccc(cc1)NC(=O)N[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1 CCOC(=O)[*:1] O=C(NCC(=O)N1CCCC1)Nc1ccc(C=C[*:1])cc1
CC(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1 C[C@H]1C[C@@H]1[*:1] CC(=O)N1CCCN(CC1)C(=O)[*:1]
O=C(CCC1=NC(=O)C2=C3CCC[C@@H]3SC2=N1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CCC1=NC(=O)C2C(=N1)S[C@H]1CCCC=21)NC[*:1]
O=C(CCC1=NC(=O)C2=C3CCC[C@@H]3SC2=N1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CCC1=NC(=O)C2C(=N1)S[C@H]1CCCC=21)N[*:1]
Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1 Fc1ccc(c(Cl)c1)[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1
Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1 Fc1ccc(C[*:1])c(Cl)c1 Cc1nn(c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1)[*:1]
Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)[C@H]1C[C@@H]1[*:1]
N#CCCN(Cc1cccnc1)Cc1ccc(O)c(N)c1 N#CC[*:1] Nc1cc(ccc1O)CN(Cc1cccnc1)C[*:1]
N#CCCN(Cc1cccnc1)Cc1ccc(O)c(N)c1 c1cncc(c1)C[*:1] N#CCCN(Cc1ccc(O)c(N)c1)[*:1]
N#CCCN(Cc1cccnc1)Cc1ccc(O)c(N)c1 c1cncc(c1)[*:1] N#CCCN(Cc1ccc(O)c(N)c1)C[*:1]
N#CCCN(Cc1cccnc1)Cc1ccc(O)c(N)c1 N#CCC[*:1] Nc1cc(ccc1O)CN(Cc1cccnc1)[*:1]
Cc1cc(C)cc(NC(=O)CSc2nc([O-])c(Cc3ccccc3)c(=O)[nH]2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nc([O-])c(C[*:1])c(=O)[nH]1
Cc1cc(C)cc(NC(=O)CSc2nc([O-])c(Cc3ccccc3)c(=O)[nH]2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CSc1nc([O-])c(Cc2ccccc2)c(=O)[nH]1)N[*:1]
Cc1cc(C)cc(NC(=O)CSc2nc([O-])c(Cc3ccccc3)c(=O)[nH]2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nc([O-])c(c(=O)[nH]1)[*:1]
CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2cc(C)no2)c(C)n1 Cc1cc(on1)[*:1] CCn1cc(c(C)n1)S(=O)(=O)N1CCCCC[C@@H]1[*:1]
CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2cc(C)no2)c(C)n1 CCn1cc(c(C)n1)[*:1] Cc1cc(on1)[C@@H]1CCCCCN1S(=O)(=O)[*:1]
O=C(Cc1ccc(NC(=O)C2CC2)cc1)Oc1ccc2nccnc2c1 O=C(N[*:1])C1CC1 O=C(Cc1ccc(cc1)[*:1])Oc1ccc2nccnc2c1
O=C(Cc1ccc(NC(=O)C2CC2)cc1)Oc1ccc2nccnc2c1 C1CC1[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])Oc1ccc2nccnc2c1
O=C(Cc1ccc(Cl)cc1F)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc(Cl)cc1F)NC[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)CCSc1nnnn1C Cn1nnnc1[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)CCS[*:1]
CCNC(=O)NC1CCC(OC(=O)c2csc(-c3ccccc3F)n2)CC1 Fc1ccccc1[*:1] CCNC(=O)NC1CCC(CC1)OC(=O)c1csc(n1)[*:1]
CCNC(=O)NC1CCC(OC(=O)c2csc(-c3ccccc3F)n2)CC1 CCNC(=O)N[*:1] O=C(OC1CCC(CC1)[*:1])c1csc(n1)-c1ccccc1F
Cc1cnn([C@H]2CCCN(C(=O)c3ccccc3OCC3CC3)C2)c1 C1CC1[*:1] Cc1cnn(c1)[C@H]1CCCN(C1)C(=O)c1ccccc1OC[*:1]
Cc1cnn([C@H]2CCCN(C(=O)c3ccccc3OCC3CC3)C2)c1 C1CC1C[*:1] Cc1cnn(c1)[C@H]1CCCN(C1)C(=O)c1ccccc1O[*:1]
Cc1cnn([C@H]2CCCN(C(=O)c3ccccc3OCC3CC3)C2)c1 C1CC1CO[*:1] Cc1cnn(c1)[C@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
Cc1cnn([C@H]2CCCN(C(=O)c3ccccc3OCC3CC3)C2)c1 Cc1cnn(c1)[*:1] O=C(c1ccccc1OCC1CC1)N1CCC[C@@H](C1)[*:1]
CCN(C(=O)CN1CCN(C(=O)c2ccccc2O)CC1)C1CCCCC1 Oc1ccccc1[*:1] CCN(C(=O)CN1CCN(CC1)C(=O)[*:1])C1CCCCC1
CCN(C(=O)CN1CCN(C(=O)c2ccccc2O)CC1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)CN1CCN(CC1)C(=O)c1ccccc1O)[*:1]
CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccccc1Br C[C@@H](O)C[*:1] CC[C@@H]([NH2+]CC(C)(C)[*:1])c1ccccc1Br
CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1ccccc1Br C[C@@H](O)[*:1] CC[C@@H]([NH2+]CC(C)(C)C[*:1])c1ccccc1Br
COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1[*:1]
COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1nc(C)c(C)s1 O=C(c1ccc(Cl)cc1)[*:1] COc1ccccc1[C@H]1C(=C([O-])C(=O)N1c1nc(C)c(C)s1)[*:1]
COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1nc(C)c(C)s1 COc1ccccc1[*:1] Cc1nc(sc1C)N1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1[*:1]
COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1nc(C)c(C)s1 Clc1ccc(cc1)[*:1] COc1ccccc1[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nc(C)c(C)s1
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c1C Clc1cccc(c1)[*:1] Cc1cccc(NC(=O)[C@H]2CCCN(C2)C(=O)c2nnc(s2)C(=O)N[*:1])c1C
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c1C Cc1cccc(NC(=O)[*:1])c1C O=C(Nc1cccc(Cl)c1)c1nnc(s1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c1C Cc1cccc(c1C)[*:1] O=C(Nc1cccc(Cl)c1)c1nnc(s1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c1C O=C(Nc1cccc(Cl)c1)[*:1] Cc1cccc(NC(=O)[C@H]2CCCN(C2)C(=O)c2nnc(s2)[*:1])c1C
Fc1cccc(CSCc2csc(-c3ccco3)n2)c1 c1coc(c1)[*:1] Fc1cccc(c1)CSCc1csc(n1)[*:1]
N#Cc1ccccc1OCc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4[nH+]3)CC2)o1 N#Cc1ccccc1O[*:1] O=C(c1ccc(C[*:1])o1)N1CCN(CC1)Cc1cc(=O)n2ccsc2[nH+]1
N#Cc1ccccc1OCc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4[nH+]3)CC2)o1 N#Cc1ccccc1[*:1] O=C(c1ccc(CO[*:1])o1)N1CCN(CC1)Cc1cc(=O)n2ccsc2[nH+]1
N#Cc1ccccc1OCc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4[nH+]3)CC2)o1 N#Cc1ccccc1OC[*:1] O=C(c1ccc(o1)[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2[nH+]1
C[C@H]1CC(C)(C)C[C@](CO)([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)C1 FC(F)(F)[*:1] C[C@H]1CC(C)(C)C[C@@](CO)(C1)[NH2+][C@@H]1CCN(C[*:1])C1=O
C[C@H]1CC(C)(C)C[C@](CO)([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)C1 FC(F)(F)C[*:1] C[C@H]1CC(C)(C)C[C@@](CO)(C1)[NH2+][C@@H]1CCN(C1=O)[*:1]
C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc(Cl)c2)CC1=O C[C@H](c1ccccc1)[*:1] O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(C1)[*:1]
C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc(Cl)c2)CC1=O c1ccc(cc1)[*:1] C[C@H](N1C[C@H](CC1=O)C(=O)Nc1cccc(Cl)c1)[*:1]
C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc(Cl)c2)CC1=O Clc1cccc(c1)[*:1] C[C@H](c1ccccc1)N1C[C@H](CC1=O)C(=O)N[*:1]
COc1cc(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)ccc1C CC(=O)[*:1] COc1cc(ccc1C)C(=O)OCC(=O)Nc1cccc(c1)[*:1]
CC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)Cc2cccs2)C1=O c1csc(c1)[*:1] CC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)C[*:1])C1=O
CC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)Cc2cccs2)C1=O c1csc(c1)C[*:1] CC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)[*:1])C1=O
N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2C#N)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 N#Cc1ccc(Cl)cc1[*:1] N#CC1=C(NC2CCCC(=O)C=2[C@@H]1c1cccnc1)SCC(=O)N[*:1]
N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2C#N)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 c1cncc(c1)[*:1] N#CC1=C(NC2CCCC(=O)C=2[C@H]1[*:1])SCC(=O)Nc1cc(Cl)ccc1C#N
NC(=O)c1ccccc1OCc1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] NC(=O)c1ccccc1OCc1ccc(cc1)OC[*:1]
NC(=O)c1ccccc1OCc1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] NC(=O)c1ccccc1OCc1ccc(cc1)[*:1]
NC(=O)c1ccccc1OCc1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] NC(=O)c1ccccc1OCc1ccc(cc1)O[*:1]
NC(=O)c1ccccc1OCc1ccc(OCC(F)(F)F)cc1 NC(=O)[*:1] FC(F)(F)COc1ccc(cc1)COc1ccccc1[*:1]
COc1cccc(Cn2ccc3ccc(NC(=O)NCc4ncn(C)n4)cc32)c1 COc1cccc(c1)C[*:1] Cn1cnc(CNC(=O)Nc2ccc3ccn(c3c2)[*:1])n1
COc1cccc(Cn2ccc3ccc(NC(=O)NCc4ncn(C)n4)cc32)c1 Cn1cnc(n1)[*:1] COc1cccc(c1)Cn1ccc2ccc(cc21)NC(=O)NC[*:1]
COc1cccc(Cn2ccc3ccc(NC(=O)NCc4ncn(C)n4)cc32)c1 COc1cccc(c1)[*:1] Cn1cnc(CNC(=O)Nc2ccc3ccn(C[*:1])c3c2)n1
C[C@@H](C(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](C(=O)NCCc1ccc(F)cc1)S(=O)(=O)[*:1]
C[C@@H](C(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1ccccc1Cl Fc1ccc(cc1)C[*:1] C[C@@H](C(=O)NC[*:1])S(=O)(=O)c1ccccc1Cl
C[C@@H](C(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1ccccc1Cl Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NCC[*:1])S(=O)(=O)c1ccccc1Cl
O=C(C[NH+]1CCCC1)Nc1ncc(Cc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] O=C(C[NH+]1CCCC1)Nc1ncc(C[*:1])s1
COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccc(Cl)c2)C1 COC[*:1] C[C@@H]1CC[C@@H](CN1C(=O)c1cccc(Cl)c1)C(=O)NC[*:1]
COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccc(Cl)c2)C1 COCCNC(=O)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)c1cccc(Cl)c1)[*:1]
COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccc(Cl)c2)C1 COCC[*:1] C[C@@H]1CC[C@@H](CN1C(=O)c1cccc(Cl)c1)C(=O)N[*:1]
COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] COCCNC(=O)[C@H]1CC[C@@H](C)N(C1)C(=O)[*:1]
Cc1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)sc1C O=C([O-])[*:1] Cc1cc(sc1C)C(=O)Nc1nc(cs1)C[*:1]
Cc1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)sc1C O=C([O-])C[*:1] Cc1cc(sc1C)C(=O)Nc1nc(cs1)[*:1]
CC(C)(C)[NH2+]CC[NH2+]C1(C)CCCC1 CC(C)(C)[*:1] CC1(CCCC1)[NH2+]CC[NH2+][*:1]
O=S(=O)(CCO)CCc1c(F)cccc1Cl OCC[*:1] O=S(=O)(CCc1c(F)cccc1Cl)[*:1]
Cc1ccc(Cn2cc(-n3c(S)nnc3[C@@H]3CCCN(S(=O)(=O)c4cnn(C)c4)C3)cn2)cc1 Cn1cc(cn1)[*:1] Cc1ccc(cc1)Cn1cc(cn1)-n1c(S)nnc1[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccc(Cn2cc(-n3c(S)nnc3[C@@H]3CCCN(S(=O)(=O)c4cnn(C)c4)C3)cn2)cc1 Cc1ccc(cc1)C[*:1] Cn1cc(cn1)S(=O)(=O)N1CCC[C@H](C1)c1nnc(S)n1-c1cnn(c1)[*:1]
Cc1ccc(Cn2cc(-n3c(S)nnc3[C@@H]3CCCN(S(=O)(=O)c4cnn(C)c4)C3)cn2)cc1 Cc1ccc(cc1)[*:1] Cn1cc(cn1)S(=O)(=O)N1CCC[C@H](C1)c1nnc(S)n1-c1cnn(c1)C[*:1]
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(CN2CCCC2=O)n1-c1ccccn1 O=C1CCCN1C[*:1] Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(n1-c1ccccn1)[*:1]
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(CN2CCCC2=O)n1-c1ccccn1 c1ccc(nc1)[*:1] Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(CN2CCCC2=O)n1[*:1]
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(CN2CCCC2=O)n1-c1ccccn1 Cc1[nH]c2ccccc2c1[*:1] C[C@H](Sc1nnc(CN2CCCC2=O)n1-c1ccccn1)C(=O)[*:1]
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(CN2CCCC2=O)n1-c1ccccn1 O=C1CCCN1[*:1] Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C[*:1])n1-c1ccccn1
CC(=O)Nc1c(C)cc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1C c1ccc(cc1)C[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)[C@H](NC(N)=O)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1C NC(=O)N[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)[C@H](Cc1ccccc1)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1C c1ccc(cc1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)[C@H](C[*:1])NC(N)=O
CC(=O)Nc1c(C)cc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)[C@H](Cc1ccccc1)NC(N)=O
CC[NH+]1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(C)cc2)CCC3)CC1 Cc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)C(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
CSCC[C@H](C)N(C)C(=O)c1cnc([C@H]2CCCO2)s1 CSCC[*:1] C[C@H](N(C)C(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
CSCC[C@H](C)N(C)C(=O)c1cnc([C@H]2CCCO2)s1 CSC[*:1] C[C@@H](C[*:1])N(C)C(=O)c1cnc(s1)[C@H]1CCCO1
CSCC[C@H](C)N(C)C(=O)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] CSCC[C@H](C)N(C)C(=O)c1cnc(s1)[*:1]
CSCC[C@H](C)N(C)C(=O)c1cnc([C@H]2CCCO2)s1 CSCC[C@H](C)[*:1] CN(C(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
Cc1nn(CN(C)Cc2c(F)cccc2Cl)c(=S)n1Cc1ccccc1 Fc1cccc(Cl)c1[*:1] Cc1nn(CN(C)C[*:1])c(=S)n1Cc1ccccc1
Cc1nn(CN(C)Cc2c(F)cccc2Cl)c(=S)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(CN(C)Cc2c(F)cccc2Cl)c(=S)n1C[*:1]
Cc1nn(CN(C)Cc2c(F)cccc2Cl)c(=S)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(CN(C)Cc2c(F)cccc2Cl)c(=S)n1[*:1]
COCC[NH2+]CC(=O)Nc1ccc(C(C)(C)C#N)cc1 COC[*:1] CC(C)(C#N)c1ccc(cc1)NC(=O)C[NH2+]C[*:1]
COCC[NH2+]CC(=O)Nc1ccc(C(C)(C)C#N)cc1 CC(C)(C#N)[*:1] COCC[NH2+]CC(=O)Nc1ccc(cc1)[*:1]
COCC[NH2+]CC(=O)Nc1ccc(C(C)(C)C#N)cc1 COCC[*:1] CC(C)(C#N)c1ccc(cc1)NC(=O)C[NH2+][*:1]
CCOC(=O)c1c(C=O)c2sc(C)cc2n1CC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CCOC(=O)c1c(C=O)c2sc(C)cc2n1C[*:1]
CCOC(=O)c1c(C=O)c2sc(C)cc2n1CC(=O)N1CCOCC1 CCOC(=O)[*:1] Cc1cc2c(s1)c(C=O)c(n2CC(=O)N1CCOCC1)[*:1]
COc1ncccc1C(=O)Nc1ccccc1-n1ncc2c(=O)[nH]cnc21 COc1ncccc1[*:1] O=C(Nc1ccccc1-n1ncc2c(=O)[nH]cnc21)[*:1]
CN(C)S(=O)(=O)c1ccc2oc(SCC(N)=O)nc2c1 NC(=O)CS[*:1] CN(C)S(=O)(=O)c1ccc2oc(nc2c1)[*:1]
CN(C)S(=O)(=O)c1ccc2oc(SCC(N)=O)nc2c1 CN(C)S(=O)(=O)[*:1] NC(=O)CSc1nc2cc(ccc2o1)[*:1]
CN(C)S(=O)(=O)c1ccc2oc(SCC(N)=O)nc2c1 NC(=O)C[*:1] CN(C)S(=O)(=O)c1ccc2oc(nc2c1)S[*:1]
CN(C)S(=O)(=O)c1ccc2oc(SCC(N)=O)nc2c1 NC(=O)[*:1] CN(C)S(=O)(=O)c1ccc2oc(nc2c1)SC[*:1]
Cc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)c(C)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(-c2csc(n2)NC(=O)CO[*:1])c(C)c1
Cc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(-c2csc(n2)NC(=O)COc2ccc(cc2)[*:1])c(C)c1
Cc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])Nc1nc(cs1)[*:1]
C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1 NC(=O)[*:1] C[C@H](NC(=O)CSc1ccc(cc1[N+](=O)[O-])[*:1])c1cccc(Cl)c1
C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)CSc1ccc(cc1[N+](=O)[O-])C(N)=O)[*:1]
C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1 O=[N+]([O-])[*:1] C[C@H](NC(=O)CSc1ccc(cc1[*:1])C(N)=O)c1cccc(Cl)c1
CC[NH2+][C@@H](CC1CCOCC1)[C@@](C)(CC)[NH+]1CCCCC1 C1CC(CCO1)[*:1] CC[NH2+][C@@H](C[*:1])[C@@](C)(CC)[NH+]1CCCCC1
CC[NH2+][C@@H](CC1CCOCC1)[C@@](C)(CC)[NH+]1CCCCC1 C1CC(CCO1)C[*:1] CC[NH2+][C@@H]([C@@](C)(CC)[NH+]1CCCCC1)[*:1]
Cc1ccccc1[C@H]1CN(Cc2cnc(N3CCOCC3)nc2)[C@H](C)CO1 C1CN(CCO1)[*:1] Cc1ccccc1[C@H]1CN(Cc2cnc(nc2)[*:1])[C@H](C)CO1
Cc1ccccc1[C@H]1CN(Cc2cnc(N3CCOCC3)nc2)[C@H](C)CO1 Cc1ccccc1[*:1] C[C@@H]1CO[C@H](CN1Cc1cnc(nc1)N1CCOCC1)[*:1]
COc1ccc(CNC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])c1cnc2sc(nn2c1=O)N1CCOCC1
COc1ccc(CNC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1cnc2sc(nn2c1=O)N1CCOCC1
COc1ccc(CNC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)CNC(=O)c1cnc2sc(nn2c1=O)[*:1]
C[C@H](OC[C@@H](O)CN1CCO[C@H](C(N)=O)C1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](OC[C@@H](O)CN1CCO[C@@H](C1)C(N)=O)[*:1]
C[C@H](OC[C@@H](O)CN1CCO[C@H](C(N)=O)C1)c1ccc(Cl)cc1 NC(=O)[*:1] C[C@H](OC[C@@H](O)CN1CCO[C@H](C1)[*:1])c1ccc(Cl)cc1
CCOc1ncccc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F O=[N+]([O-])[*:1] CCOc1ncccc1C(=O)Nc1cc(c(F)cc1F)[*:1]
CCOc1ncccc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F CCO[*:1] O=C(Nc1cc(c(F)cc1F)[N+](=O)[O-])c1cccnc1[*:1]
COCCOc1ccc(Br)cc1C(=O)N(C)Cc1ccccc1 COCCO[*:1] CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1[*:1]
COCCOc1ccc(Br)cc1C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] COCCOc1ccc(Br)cc1C(=O)N(C)[*:1]
COCCOc1ccc(Br)cc1C(=O)N(C)Cc1ccccc1 COCC[*:1] CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1O[*:1]
COCCOc1ccc(Br)cc1C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] COCCOc1ccc(Br)cc1C(=O)N(C)C[*:1]
COCCOc1ccc(Br)cc1C(=O)N(C)Cc1ccccc1 COC[*:1] CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1OC[*:1]
Cc1oc(S(N)(=O)=O)cc1C(=O)Nc1ccc(OC(C)C)cc1 NS(=O)(=O)[*:1] Cc1oc(cc1C(=O)Nc1ccc(cc1)OC(C)C)[*:1]
Cc1oc(S(N)(=O)=O)cc1C(=O)Nc1ccc(OC(C)C)cc1 CC(C)O[*:1] Cc1oc(cc1C(=O)Nc1ccc(cc1)[*:1])S(N)(=O)=O
Cc1oc(S(N)(=O)=O)cc1C(=O)Nc1ccc(OC(C)C)cc1 CC(C)[*:1] Cc1oc(cc1C(=O)Nc1ccc(cc1)O[*:1])S(N)(=O)=O
CN(C)c1ccc2[nH]c(CNc3ccc(O)cc3)nc2n1 CN(C)[*:1] Oc1ccc(cc1)NCc1nc2nc(ccc2[nH]1)[*:1]
CN(C)c1ccc2[nH]c(CNc3ccc(O)cc3)nc2n1 Oc1ccc(cc1)[*:1] CN(C)c1ccc2[nH]c(CN[*:1])nc2n1
CC[C@H](C(=O)N1CCCSC[C@H]1C[NH+](C)C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCCSC[C@H]1C[NH+](C)C)[*:1]
Cn1c(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc(=O)n(C)c1=O O=C(N1CCCC1)[*:1] Cn1c(cc(=O)n(C)c1=O)C[NH+]1CCC(CC1)[*:1]
Cc1cc2nc(C)n(CCOc3ccccc3)c2cc1C c1ccc(cc1)[*:1] Cc1cc2nc(C)n(CCO[*:1])c2cc1C
Cc1cc2nc(C)n(CCOc3ccccc3)c2cc1C c1ccc(cc1)O[*:1] Cc1cc2nc(C)n(CC[*:1])c2cc1C
Cc1ccc(C)c(OC[C@@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 Cc1ccc(C)c(c1)O[*:1] O=c1c2ccccc2c(nn1C[C@H](O)C[*:1])-c1ccc(F)cc1
Cc1ccc(C)c(OC[C@@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 Cc1ccc(C)c(c1)[*:1] O=c1c2ccccc2c(nn1C[C@H](O)CO[*:1])-c1ccc(F)cc1
Cc1ccc(C)c(OC[C@@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)OC[C@@H](O)Cn1nc(c2ccccc2c1=O)[*:1]
Cc1ccc(C)c(OC[C@@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 Cc1ccc(C)c(c1)OC[*:1] O=c1c2ccccc2c(nn1C[C@H](O)[*:1])-c1ccc(F)cc1
CCc1nc(C)c(C)c2nn(CC(=O)[O-])c(=O)n12 O=C([O-])C[*:1] CCc1nc(C)c(C)c2nn(c(=O)n12)[*:1]
CCc1nc(C)c(C)c2nn(CC(=O)[O-])c(=O)n12 O=C([O-])[*:1] CCc1nc(C)c(C)c2nn(C[*:1])c(=O)n12
O=C(CC1(Cc2nc3ccccc3s2)CCCCC1)NCc1ccncc1 c1cc(ccn1)C[*:1] O=C(CC1(CCCCC1)Cc1nc2ccccc2s1)N[*:1]
O=C(CC1(Cc2nc3ccccc3s2)CCCCC1)NCc1ccncc1 c1cc(ccn1)[*:1] O=C(CC1(CCCCC1)Cc1nc2ccccc2s1)NC[*:1]
O=C(CC1(Cc2nc3ccccc3s2)CCCCC1)NCc1ccncc1 c1ccc2sc(nc2c1)[*:1] O=C(CC1(CCCCC1)C[*:1])NCc1ccncc1
COC[C@@H](C)[NH2+]Cc1nc2c(s1)CCC2 COC[*:1] C[C@@H]([NH2+]Cc1nc2CCCc2s1)[*:1]
CN(CCO)C(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] CN(CCO)C(=O)Nc1cccn(c1=O)[*:1]
CN(CCO)C(=O)Nc1cccn(Cc2ccccc2)c1=O OCC[*:1] CN(C(=O)Nc1cccn(Cc2ccccc2)c1=O)[*:1]
CN(CCO)C(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] CN(CCO)C(=O)Nc1cccn(C[*:1])c1=O
COC(=O)Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 COC(=O)C[*:1] N#CC1=C(N)Oc2n[nH]c(c2[C@@H]1c1ccc(Cl)cc1)[*:1]
COC(=O)Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 COC(=O)[*:1] N#CC1=C(N)Oc2n[nH]c(C[*:1])c2[C@@H]1c1ccc(Cl)cc1
COC(=O)Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 Clc1ccc(cc1)[*:1] COC(=O)Cc1[nH]nc2OC(N)=C(C#N)[C@@H](c21)[*:1]
Cc1cc(NC(=O)c2ncn[n-]2)ccc1NC(=O)C(C)(C)C CC(C)(C)[*:1] Cc1cc(ccc1NC(=O)[*:1])NC(=O)c1ncn[n-]1
Cc1cc(NC(=O)c2ncn[n-]2)ccc1NC(=O)C(C)(C)C CC(C)(C)C(=O)N[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ncn[n-]1
CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCCC1)c1nc(C2CC2)no1 CC(C)[*:1] C[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](c1nc(no1)C1CC1)[*:1]
CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCCC1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCCC1)c1nc(no1)[*:1]
CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCCC1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCCC1)[*:1]
CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCCC1)c1nc(C2CC2)no1 C1CCC(CC1)[*:1] CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)[*:1])c1nc(no1)C1CC1
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](COC)c1ccc(CC)o1 COC[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N[C@H](c1ccc(CC)o1)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](COC)c1ccc(CC)o1 CCc1ccc(o1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N[C@H](COC)[*:1]
Cc1ccccc1C(=O)Nc1sc2c(c1C=O)CCCC2 Cc1ccccc1[*:1] O=Cc1c(NC(=O)[*:1])sc2CCCCc21
CC[C@H](C)OC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 CC[C@H](C)OC(=O)[*:1] CC(=O)Nc1ccc2nc(SC[*:1])sc2c1
CC[C@H](C)OC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 CC[C@H](C)[*:1] CC(=O)Nc1ccc2nc(SCC(=O)O[*:1])sc2c1
CC[C@H](C)OC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 CC(=O)N[*:1] CC[C@H](C)OC(=O)CSc1nc2ccc(cc2s1)[*:1]
O=S(=O)(CC1CCC1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 C1CC(C1)C[*:1] O=S(=O)(N1CCCC[C@@H]1c1cc2ccccc2[nH]1)[*:1]
O=S(=O)(CC1CCC1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 C1CC(C1)[*:1] O=S(=O)(C[*:1])N1CCCC[C@@H]1c1cc2ccccc2[nH]1
COc1cc(/C=C/C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)ccc1OC(C)C CC(C)[*:1] COc1cc(/C=C/C(=O)N[C@H]2CC[C@@H](C2)[NH+](C)C)ccc1O[*:1]
COc1cc(/C=C/C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)ccc1OC(C)C CC(C)O[*:1] COc1cc(/C=C/C(=O)N[C@H]2CC[C@@H](C2)[NH+](C)C)ccc1[*:1]
COc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)c(cc1OC)[*:1]
COc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)c([N+](=O)[O-])cc1OC Fc1cccc(Cl)c1[*:1] COc1cc(C(=O)N(C)C[*:1])c(cc1OC)[N+](=O)[O-]
COc1cccc(C[C@@H](C)NCc2csc(C)n2)c1 Cc1nc(cs1)[*:1] COc1cccc(c1)C[C@@H](C)NC[*:1]
CC[NH+](CC)[C@H]1CCN(C[C@@H](C)CS)C1 C[C@@H](CS)C[*:1] CC[NH+](CC)[C@H]1CCN(C1)[*:1]
CC[NH+](CC)[C@H]1CCN(C[C@@H](C)CS)C1 C[C@@H](CS)[*:1] CC[NH+](CC)[C@H]1CCN(C1)C[*:1]
CCOc1ccc(C(=O)Nc2cccn(C)c2=O)cc1 CCO[*:1] Cn1cccc(NC(=O)c2ccc(cc2)[*:1])c1=O
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3F)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1ccc(F)cc1F)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3F)CC2=O)cc1C Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)N[*:1]
C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)Nc3nc4ccccc4s3)cc2C1=O c1ccc2sc(nc2c1)[*:1] C[C@@H](c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)Nc3nc4ccccc4s3)cc2C1=O c1ccc(cc1)[*:1] C[C@@H](N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1nc2ccccc2s1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2F)cc1 Cc1ccc(cc1)[*:1] O=CN1CCN(CC1)C(=O)CN(c1ccccc1F)S(=O)(=O)[*:1]
Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccccc1Br
Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc1 Brc1ccccc1[*:1] Cc1ccc(cc1)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
N#Cc1ccc(NC2CCN(S(=O)(=O)C3CC3)CC2)cc1Cl C1CC1[*:1] N#Cc1ccc(cc1Cl)NC1CCN(CC1)S(=O)(=O)[*:1]
CCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1 CCNC(=O)[*:1] O=C(c1ccc(Cl)cc1)N1C[C@@H](CC[C@@H]1c1ccccc1)[*:1]
CCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C1)C(=O)[*:1]
CCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1 c1ccc(cc1)[*:1] CCNC(=O)[C@@H]1CC[C@H](N(C1)C(=O)c1ccc(Cl)cc1)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1cnc(C(C)(C)C)nc1 CC(C)(C)[*:1] CCN(C[C@H](C)C#N)C(=O)Nc1cnc(nc1)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1cnc(C(C)(C)C)nc1 C[C@H](C#N)C[*:1] CCN(C(=O)Nc1cnc(nc1)C(C)(C)C)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)c2cc(C3CC3)nc3c2c([O-])nn3C)C1 C1CC1[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1cc(nc2c1c([O-])nn2C)[*:1]
O=C([O-])c1ccc(-n2cnc3ccccc32)nc1 O=C([O-])[*:1] c1ccc2c(c1)ncn2-c1ccc(cn1)[*:1]
Cc1nc(Nc2ccccc2)cc(-c2cccnc2)n1 c1ccc(cc1)[*:1] Cc1nc(cc(n1)-c1cccnc1)N[*:1]
Cc1nc(Nc2ccccc2)cc(-c2cccnc2)n1 c1cncc(c1)[*:1] Cc1nc(cc(n1)[*:1])Nc1ccccc1
c1ccc(Cc2nnc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)o2)cc1 c1ccc(cc1)[*:1] C1CC[NH+](CC1)C[C@@H]1CCN(Cc2nnc(C[*:1])o2)C1
c1ccc(Cc2nnc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)o2)cc1 c1ccc(cc1)C[*:1] C1CC[NH+](CC1)C[C@@H]1CCN(Cc2nnc(o2)[*:1])C1
O=C([O-])[C@H]1CCCCN1C(=O)c1cn2ccccc2n1 O=C([O-])[*:1] O=C(c1cn2ccccc2n1)N1CCCC[C@@H]1[*:1]
FC(F)(F)Oc1cccc(CN2CC[C@@H](CN3CCOCC3)C2)c1 C1CN(CCO1)C[*:1] FC(F)(F)Oc1cccc(c1)CN1CC[C@@H](C1)[*:1]
FC(F)(F)Oc1cccc(CN2CC[C@@H](CN3CCOCC3)C2)c1 FC(F)(F)O[*:1] c1cc(cc(c1)[*:1])CN1CC[C@@H](CN2CCOCC2)C1
FC(F)(F)Oc1cccc(CN2CC[C@@H](CN3CCOCC3)C2)c1 C1CN(CCO1)[*:1] FC(F)(F)Oc1cccc(c1)CN1CC[C@H](C1)C[*:1]
FC(F)(F)Oc1cccc(CN2CC[C@@H](CN3CCOCC3)C2)c1 FC(F)(F)[*:1] c1cc(cc(c1)O[*:1])CN1CC[C@@H](CN2CCOCC2)C1
COc1ccc(F)c(NC(=O)C(=O)NC[C@H](O)C(C)(C)C)c1 CC(C)(C)[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)NC[C@H](O)[*:1]
O=C(NCc1ccc(COc2ccccc2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 c1ccc(cc1)OC[*:1] O=C(NCc1ccc(cc1)[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
O=C(NCc1ccc(COc2ccccc2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 c1ccc(cc1)O[*:1] O=C(NCc1ccc(cc1)C[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
O=C(NCc1ccc(COc2ccccc2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)CO[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
O=C([O-])CC1(NC(=O)c2ccc3cc[nH]c3c2)CCC1 O=C([O-])[*:1] O=C(NC1(CCC1)C[*:1])c1ccc2cc[nH]c2c1
O=C([O-])CC1(NC(=O)c2ccc3cc[nH]c3c2)CCC1 O=C([O-])C[*:1] O=C(NC1(CCC1)[*:1])c1ccc2cc[nH]c2c1
C=CCNC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 C=CC[*:1] O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N[*:1]
C=CCNC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C=CCNC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)c1nc([C@H](C)[NH2+][C@H](C)c2nccs2)cs1 CC(C)[*:1] C[C@H]([NH2+][C@H](C)c1nccs1)c1csc(n1)[*:1]
CC(C)c1nc([C@H](C)[NH2+][C@H](C)c2nccs2)cs1 c1csc(n1)[*:1] CC(C)c1nc(cs1)[C@H](C)[NH2+][C@H](C)[*:1]
CCC[C@@H]([NH2+]Cc1cc(Cl)cs1)C(=O)[O-] CCC[*:1] O=C([O-])[C@H]([NH2+]Cc1cc(Cl)cs1)[*:1]
CCC[C@@H]([NH2+]Cc1cc(Cl)cs1)C(=O)[O-] O=C([O-])[*:1] CCC[C@@H]([NH2+]Cc1cc(Cl)cs1)[*:1]
O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NCCC(F)(F)F FC(F)(F)C[*:1] O=C(CC[S@@](=O)c1ccc2OCCOc2c1)NC[*:1]
O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NCCC(F)(F)F FC(F)(F)CC[*:1] O=C(CC[S@@](=O)c1ccc2OCCOc2c1)N[*:1]
O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NCCC(F)(F)F FC(F)(F)[*:1] O=C(CC[S@@](=O)c1ccc2OCCOc2c1)NCC[*:1]
COc1ccc(NC(=S)NC(=O)C2CCC2)cc1 C1CC(C1)[*:1] COc1ccc(cc1)NC(=S)NC(=O)[*:1]
COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)[O-])S3)[C@H](c3ccc(Cl)cc3)C2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@@H](N(N=1)C1=NC(=O)[C@@H](CC(=O)[O-])S1)[*:1]
COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)[O-])S3)[C@H](c3ccc(Cl)cc3)C2)cc1 O=C([O-])[*:1] COc1ccc(cc1)C1C[C@@H](c2ccc(Cl)cc2)N(N=1)C1=NC(=O)[C@@H](C[*:1])S1
COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)[O-])S3)[C@H](c3ccc(Cl)cc3)C2)cc1 COc1ccc(cc1)[*:1] O=C([O-])C[C@H]1SC(=NC1=O)N1N=C(C[C@H]1c1ccc(Cl)cc1)[*:1]
COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)[O-])S3)[C@H](c3ccc(Cl)cc3)C2)cc1 O=C([O-])C[*:1] COc1ccc(cc1)C1C[C@@H](c2ccc(Cl)cc2)N(N=1)C1=NC(=O)[C@@H](S1)[*:1]
Cn1nnnc1SCC(=O)N1CCO[C@H](c2cccs2)C1 Cn1nnnc1S[*:1] O=C(C[*:1])N1CCO[C@@H](C1)c1cccs1
Cn1nnnc1SCC(=O)N1CCO[C@H](c2cccs2)C1 Cn1nnnc1[*:1] O=C(CS[*:1])N1CCO[C@@H](C1)c1cccs1
Cn1nnnc1SCC(=O)N1CCO[C@H](c2cccs2)C1 c1csc(c1)[*:1] Cn1nnnc1SCC(=O)N1CCO[C@H](C1)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)c3cc4cc(F)ccc4o3)ccc21 CCC[*:1] O=C(Nc1ccc2c(c1)CCC(=O)N2[*:1])c1cc2cc(F)ccc2o1
CCc1nn(C)cc1C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CCc1nn(C)cc1C(=O)NCCC[NH+]1CCN(CC1)[*:1]
CCc1nn(C)cc1C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 CCc1nn(C)cc1[*:1] Cc1cccc(c1)N1CC[NH+](CCCNC(=O)[*:1])CC1
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3N3CCCC3)C2)c1 C1CCN(C1)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@@H](C1)C(=O)N(C)Cc1ccccc1[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3N3CCCC3)C2)c1 Cc1cc(C)cc(c1)[*:1] CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ccccc3)C2)c1 Cn1cnc(c1)[*:1] O=C(CNS(=O)(=O)[*:1])N[C@@H]1CCN(C1)c1ccccc1
Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cn1cnc(c1)S(=O)(=O)NCC(=O)N[C@@H]1CCN(C1)[*:1]
CCc1ncc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)s1 CCc1ncc(s1)[*:1] O[C@H](CN(C[*:1])C1CC1)c1ccc(F)cc1
CCc1ncc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)s1 C1CC1[*:1] CCc1ncc(CN(C[C@@H](O)c2ccc(F)cc2)[*:1])s1
CCc1ncc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)s1 Fc1ccc(cc1)[*:1] CCc1ncc(CN(C[C@@H](O)[*:1])C2CC2)s1
Cc1ccc([C@@H](CNC(=O)N2CCC(C)(C)C2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)N1CCC(C)(C)C1)[*:1]
Cc1ccc([C@@H](CNC(=O)N2CCC(C)(C)C2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] CC1(C)CCN(C1)C(=O)NC[C@@H](N1CCOCC1)[*:1]
C[C@@H](NC(=O)[C@@](C)(N)C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@](C)(N)C(F)(F)F)[*:1]
C[C@@H](NC(=O)[C@@](C)(N)C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] C[C@@H](NC(=O)[C@@](C)(N)[*:1])c1ccccc1
CSC[C@@H](C)NC(=O)C(=O)Nc1ccccc1-n1cccn1 CSC[*:1] C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cccn1)[*:1]
CSC[C@@H](C)NC(=O)C(=O)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] CSC[C@@H](C)NC(=O)C(=O)Nc1ccccc1[*:1]
C/C=C/C(=O)Nc1ccccc1Br CC=C[*:1] O=C(Nc1ccccc1Br)[*:1]
O=[N+]([O-])c1ccc(CN2CCc3c(F)ccc(F)c3C2)o1 O=[N+]([O-])[*:1] Fc1ccc(F)c2CN(CCc12)Cc1ccc(o1)[*:1]
O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2CCCN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc2nc3ccccc3nc2n1CCC[*:1]
O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2CCCN2CCOCC2)cc1 O=[N+]([O-])[*:1] c1ccc2nc3c(nc(-c4ccc(cc4)[*:1])n3CCCN3CCOCC3)nc2c1
O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2CCCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc2nc3ccccc3nc2n1CC[*:1]
O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2CCCN2CCOCC2)cc1 C1CN(CCO1)CC[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc2nc3ccccc3nc2n1C[*:1]
O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2CCCN2CCOCC2)cc1 C(CN1CCOCC1)C[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc2nc3ccccc3nc2n1[*:1]
O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2CCCN2CCOCC2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] c1ccc2nc3c(nc(n3CCCN3CCOCC3)[*:1])nc2c1
COc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1C O=C([O-])[*:1] COc1ccc(cc1C)S(=O)(=O)N[C@@H](CO)[*:1]
CCCN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O CCC[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc2OCOc2c1
CCOC(=O)c1[nH]c2ncccc2c1N CCOC(=O)[*:1] Nc1c([nH]c2ncccc12)[*:1]
CC(=O)c1cccc(S(=O)(=O)Nc2ccc(-c3nncn3C)cc2)c1 Cn1cnnc1[*:1] CC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1cccc(S(=O)(=O)Nc2ccc(-c3nncn3C)cc2)c1 CC(=O)[*:1] Cn1cnnc1-c1ccc(cc1)NS(=O)(=O)c1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(N[C@@H]2CSCC(C)(C)C2)c1 CN(C)C(=O)[*:1] CC1(C)CSC[C@H](C1)Nc1cccc(c1)[*:1]
O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 Fc1ccc(cc1Cl)[*:1] O=C(N[*:1])[C@H]1CCCN1S(=O)(=O)c1ccccc1
O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1S(=O)(=O)[*:1]
CC(=O)c1cccc(NC(=O)CCc2nnc(-c3cc(C)nn3C)o2)c1 Cc1cc(n(C)n1)[*:1] CC(=O)c1cccc(c1)NC(=O)CCc1nnc(o1)[*:1]
CC(=O)c1cccc(NC(=O)CCc2nnc(-c3cc(C)nn3C)o2)c1 CC(=O)[*:1] Cc1cc(-c2nnc(CCC(=O)Nc3cccc(c3)[*:1])o2)n(C)n1
CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(CCCOC)CCS3(=O)=O)CC1 COCC[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1c(F)c(F)c2c(c1F)N(CCS2(=O)=O)C[*:1]
CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(CCCOC)CCS3(=O)=O)CC1 COC[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1c(F)c(F)c2c(c1F)N(CCS2(=O)=O)CC[*:1]
CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(CCCOC)CCS3(=O)=O)CC1 COCCC[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1c(F)c(F)c2c(c1F)N(CCS2(=O)=O)[*:1]
CSc1nnc(CSc2nnc(-c3ccccc3)n2C)n1-c1ccccc1 c1ccc(cc1)[*:1] CSc1nnc(CSc2nnc(n2C)[*:1])n1-c1ccccc1
CSc1nnc(CSc2nnc(-c3ccccc3)n2C)n1-c1ccccc1 c1ccc(cc1)[*:1] CSc1nnc(CSc2nnc(-c3ccccc3)n2C)n1[*:1]
CN(C)c1cccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1 FC(F)[*:1] CN(C)c1cccc(c1)C(=O)Nc1ccc(O[*:1])c(F)c1
CN(C)c1cccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1 FC(F)O[*:1] CN(C)c1cccc(c1)C(=O)Nc1ccc(c(F)c1)[*:1]
CN(C)c1cccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1 CN(C)[*:1] O=C(Nc1ccc(OC(F)F)c(F)c1)c1cccc(c1)[*:1]
COc1ccc(C(=O)N2CCc3[nH]nc(C(=O)N4CCN(c5ccccc5C)CC4)c3C2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ccccc1N1CCN(CC1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)[*:1]
COc1ccc(C(=O)N2CCc3[nH]nc(C(=O)N4CCN(c5ccccc5C)CC4)c3C2)c(OC)c1 Cc1ccccc1[*:1] COc1ccc(C(=O)N2CCc3[nH]nc(C(=O)N4CCN(CC4)[*:1])c3C2)c(c1)OC
CSCC[C@@H](C)[NH2+][C@H](C)c1nc2cc(Cl)ccc2n1C CSCC[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1nc2cc(Cl)ccc2n1C
CSCC[C@@H](C)[NH2+][C@H](C)c1nc2cc(Cl)ccc2n1C CSC[*:1] C[C@H](C[*:1])[NH2+][C@H](C)c1nc2cc(Cl)ccc2n1C
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(C)=O)CC2 c1csc(c1)[*:1] COc1cc2CCN(C(C)=O)[C@@H](c2cc1OC)[*:1]
O=C(Nc1cccnc1Cl)C(=O)N[C@@H]1c2ccccc2C[C@H]1O Clc1ncccc1[*:1] O=C(N[C@@H]1c2ccccc2C[C@H]1O)C(=O)N[*:1]
O=C(CC[C@@H]1CCCN(C(=O)C2CCOCC2)C1)NCc1ccccc1F Fc1ccccc1[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)C1CCOCC1)NC[*:1]
O=C(CC[C@@H]1CCCN(C(=O)C2CCOCC2)C1)NCc1ccccc1F C1CC(CCO1)[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)[*:1])NCc1ccccc1F
O=C(CC[C@@H]1CCCN(C(=O)C2CCOCC2)C1)NCc1ccccc1F Fc1ccccc1C[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)C1CCOCC1)N[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@@H]1[*:1] COc1cc(C)c(N)cc1S(=O)(=O)N[*:1]
N#Cc1ccc(COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)COC(=O)c1cc(nn1-c1ccccc1)[*:1]
N#Cc1ccc(COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)COC(=O)c1cc(nn1[*:1])-c1cccs1
N#Cc1ccc(COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(OC[*:1])c1cc(nn1-c1ccccc1)-c1cccs1
N#Cc1ccc(COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 N#Cc1ccc(cc1)C[*:1] O=C(O[*:1])c1cc(nn1-c1ccccc1)-c1cccs1
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)c1cc(O)cc(O)c1 Oc1cc(O)cc(c1)[*:1] O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)[*:1]
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)c1cc(O)cc(O)c1 Clc1ccc(cc1)[*:1] O=C(N/N=C/c1cn(C[*:1])nc1-c1ccccc1)c1cc(O)cc(O)c1
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)c1cc(O)cc(O)c1 c1ccc(cc1)[*:1] O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)nc1[*:1])c1cc(O)cc(O)c1
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)c1cc(O)cc(O)c1 Clc1ccc(cc1)C[*:1] O=C(N/N=C/c1cn(nc1-c1ccccc1)[*:1])c1cc(O)cc(O)c1
Cc1ccc([C@@H](C(=O)NC2CCCC2)[NH+]2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCCC1)[C@@H]([NH+]1CCCCC1)[*:1]
Cc1ccc([C@@H](C(=O)NC2CCCC2)[NH+]2CCCCC2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)[C@@H](C(=O)N[*:1])[NH+]1CCCCC1
C[NH2+][C@@H]1CCN(c2ccccc2OC(F)(F)F)C1 FC(F)(F)[*:1] C[NH2+][C@@H]1CCN(C1)c1ccccc1O[*:1]
C[NH2+][C@@H]1CCN(c2ccccc2OC(F)(F)F)C1 FC(F)(F)O[*:1] C[NH2+][C@@H]1CCN(C1)c1ccccc1[*:1]
C=C(CC)C[C@@]1(C(=O)[O-])C[C@H]2CC[C@@H]1C2 C=C(CC)C[*:1] O=C([O-])[C@]1(C[C@H]2CC[C@@H]1C2)[*:1]
C=C(CC)C[C@@]1(C(=O)[O-])C[C@H]2CC[C@@H]1C2 O=C([O-])[*:1] C=C(CC)C[C@]1(C[C@H]2CC[C@@H]1C2)[*:1]
C=C(CC)C[C@@]1(C(=O)[O-])C[C@H]2CC[C@@H]1C2 C=C(CC)[*:1] O=C([O-])[C@@]1(C[C@H]2CC[C@@H]1C2)C[*:1]
CCCN1CCN(C(=O)c2cncn2CC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O CCC[*:1] CCn1cncc1C(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2-c2ccccc2)C1)[*:1]
CCCN1CCN(C(=O)c2cncn2CC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O CCn1cncc1[*:1] CCCN1CCN(C[C@H](Cc2ccccc2-c2ccccc2)C1=O)C(=O)[*:1]
CCCN1CCN(C(=O)c2cncn2CC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O c1ccc(cc1)[*:1] CCCN1CCN(C[C@H](Cc2ccccc2[*:1])C1=O)C(=O)c1cncn1CC
CC(C)CCO[C@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3O2)C1 CC(C)C[*:1] O=C(NC[C@H]1Cc2ccccc2O1)N1CC[C@@H](C1)OC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3O2)C1 CC(C)CCO[*:1] O=C(NC[C@H]1Cc2ccccc2O1)N1CC[C@@H](C1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3O2)C1 CC(C)CC[*:1] O=C(NC[C@H]1Cc2ccccc2O1)N1CC[C@@H](C1)O[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3O2)C1 CC(C)[*:1] O=C(NC[C@H]1Cc2ccccc2O1)N1CC[C@@H](C1)OCC[*:1]
C[C@H]1CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H]1[NH+](C)C CS(=O)(=O)[*:1] C[C@H]1CN(C[C@@H]1[NH+](C)C)C(=O)c1ccc(Cl)c(c1)[*:1]
N#CCSc1cccc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 N#CC[*:1] O=C(c1cccc(c1)S[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
N#CCSc1cccc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 C1CO[C@@H](C1)CO[*:1] N#CCSc1cccc(c1)C(=O)N1CCC(CC1)[*:1]
N#CCSc1cccc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 N#CCS[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
CCOC(=O)CS[C@@H](C(N)=O)c1ccccc1 NC(=O)[*:1] CCOC(=O)CS[C@@H](c1ccccc1)[*:1]
CCOC(=O)CS[C@@H](C(N)=O)c1ccccc1 CCOC(=O)[*:1] NC(=O)[C@H](SC[*:1])c1ccccc1
CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C)nc1Cl CNC(=O)[*:1] Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2[*:1])c(Cl)n1
Cc1cc(Br)ccc1CNC(=O)NCCCC(C)(C)CO CC(C)(CO)[*:1] Cc1cc(Br)ccc1CNC(=O)NCCC[*:1]
Cc1cc(Br)ccc1CNC(=O)NCCCC(C)(C)CO CC(C)(CO)C[*:1] Cc1cc(Br)ccc1CNC(=O)NCC[*:1]
Cc1cc(Br)ccc1CNC(=O)NCCCC(C)(C)CO CC(C)(CO)CC[*:1] Cc1cc(Br)ccc1CNC(=O)NC[*:1]
Cc1nc(CNC(=O)C[C@H](C)c2cccc(F)c2)sc1C Cc1nc(sc1C)[*:1] C[C@@H](CC(=O)NC[*:1])c1cccc(F)c1
Cc1nc(CNC(=O)C[C@H](C)c2cccc(F)c2)sc1C Fc1cccc(c1)[*:1] Cc1nc(CNC(=O)C[C@H](C)[*:1])sc1C
COc1nc2ccccc2nc1N1CCC[C@H](C(=O)NCc2cccc(C)c2)C1 Cc1cccc(c1)C[*:1] COc1nc2ccccc2nc1N1CCC[C@@H](C1)C(=O)N[*:1]
COc1nc2ccccc2nc1N1CCC[C@H](C(=O)NCc2cccc(C)c2)C1 Cc1cccc(c1)[*:1] COc1nc2ccccc2nc1N1CCC[C@@H](C1)C(=O)NC[*:1]
COc1ccccc1[C@H](CNC(=O)N(C)Cc1ncnn1C)[NH+]1CCCC1 Cn1ncnc1C[*:1] COc1ccccc1[C@H](CNC(=O)N(C)[*:1])[NH+]1CCCC1
COc1ccccc1[C@H](CNC(=O)N(C)Cc1ncnn1C)[NH+]1CCCC1 Cn1ncnc1[*:1] COc1ccccc1[C@H](CNC(=O)N(C)C[*:1])[NH+]1CCCC1
COc1ccccc1[C@H](CNC(=O)N(C)Cc1ncnn1C)[NH+]1CCCC1 COc1ccccc1[*:1] CN(Cc1ncnn1C)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1cc(NC(=O)CCS[C@@H](C)[C@H](C)O)no1 C[C@H](O)[*:1] Cc1cc(no1)NC(=O)CCS[C@@H](C)[*:1]
C[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)NCC1CCC1 C1CC(C1)C[*:1] C[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)N[*:1]
C[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)NCC1CCC1 C1CC(C1)[*:1] C[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)NC[*:1]
Cc1nnc(SCc2ccc(C(=O)[O-])cc2)o1 O=C([O-])[*:1] Cc1nnc(o1)SCc1ccc(cc1)[*:1]
Cc1nc(S(=O)(=O)CC(=O)N[C@H](C)C(C)C)[n-]c1Cc1ccccc1 CC(C)[C@@H](C)[*:1] Cc1nc([n-]c1Cc1ccccc1)S(=O)(=O)CC(=O)N[*:1]
Cc1nc(S(=O)(=O)CC(=O)N[C@H](C)C(C)C)[n-]c1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc([n-]c1[*:1])S(=O)(=O)CC(=O)N[C@H](C)C(C)C
Cc1nc(S(=O)(=O)CC(=O)N[C@H](C)C(C)C)[n-]c1Cc1ccccc1 CC(C)[*:1] Cc1nc([n-]c1Cc1ccccc1)S(=O)(=O)CC(=O)N[C@H](C)[*:1]
Cc1nc(S(=O)(=O)CC(=O)N[C@H](C)C(C)C)[n-]c1Cc1ccccc1 CC(C)[C@@H](C)NC(=O)[*:1] Cc1nc([n-]c1Cc1ccccc1)S(=O)(=O)C[*:1]
Cc1nc(S(=O)(=O)CC(=O)N[C@H](C)C(C)C)[n-]c1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc([n-]c1C[*:1])S(=O)(=O)CC(=O)N[C@H](C)C(C)C
Cc1ccccc1OCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] Cc1ccccc1[*:1] O=[N+]([O-])c1cc(ccc1NCCO[*:1])C(F)(F)F
Cc1ccccc1OCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1OCCNc1ccc(cc1[*:1])C(F)(F)F
Cc1ccccc1OCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] Cc1ccccc1O[*:1] O=[N+]([O-])c1cc(ccc1NCC[*:1])C(F)(F)F
Cc1ccccc1OCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1ccccc1OCCNc1ccc(cc1[N+](=O)[O-])[*:1]
O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(COc1ccc2ccccc2c1)Nc1ccc(cc1N1CCOCC1)[*:1]
O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(COc1ccc2ccccc2c1)Nc1ccc(cc1[*:1])N1CCOCC1
O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 c1ccc2cc(ccc2c1)O[*:1] O=C(C[*:1])Nc1ccc(cc1N1CCOCC1)N1CCOCC1
O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 c1ccc2cc(ccc2c1)[*:1] O=C(CO[*:1])Nc1ccc(cc1N1CCOCC1)N1CCOCC1
O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccco1)c1ccc(F)cc1 c1coc(c1)[*:1] O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1[*:1])c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccco1)c1ccc(F)cc1 Clc1ccc2nc(sc2c1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccco1)[*:1])c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccco1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccco2)N1c1nc2ccc(Cl)cc2s1
O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccco1)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=C1C([O-])=C([C@H](c2ccco2)N1c1nc2ccc(Cl)cc2s1)[*:1]
Cc1csc([C@H](C)NC(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)n1 Cc1csc(n1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)C(=O)N[C@@H](C)[*:1]
COC[C@@H](NC(=O)c1occc1Br)c1ccco1 COC[*:1] O=C(N[C@@H](c1ccco1)[*:1])c1occc1Br
COC[C@@H](NC(=O)c1occc1Br)c1ccco1 c1coc(c1)[*:1] COC[C@@H](NC(=O)c1occc1Br)[*:1]
COC[C@@H](NC(=O)c1occc1Br)c1ccco1 Brc1ccoc1[*:1] COC[C@@H](NC(=O)[*:1])c1ccco1
CC(C)[C@@H](CC(=O)NCCc1nncn1C)c1ccccc1 Cn1cnnc1[*:1] CC(C)[C@@H](CC(=O)NCC[*:1])c1ccccc1
CC(C)[C@@H](CC(=O)NCCc1nncn1C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](CC(=O)NCCc1nncn1C)[*:1]
CC(C)[C@@H](CC(=O)NCCc1nncn1C)c1ccccc1 CC(C)[*:1] Cn1cnnc1CCNC(=O)C[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](CC(=O)NCCc1nncn1C)c1ccccc1 Cn1cnnc1C[*:1] CC(C)[C@@H](CC(=O)NC[*:1])c1ccccc1
C[C@@H]1C[C@H](NC(=O)Cc2ccccc2Cl)CN1c1ccccc1 Clc1ccccc1[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)C[*:1]
C[C@@H]1C[C@H](NC(=O)Cc2ccccc2Cl)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)Cc1ccccc1Cl
O=C(NCc1ccc(=O)[nH]c1)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] O=C(NCc1ccc(=O)[nH]c1)c1cnc(s1)[*:1]
O=C(NCc1ccc(=O)[nH]c1)c1cnc([C@H]2CCCO2)s1 O=c1ccc(c[nH]1)[*:1] O=C(NC[*:1])c1cnc(s1)[C@H]1CCCO1
CCO[C@H](C)c1nc(CN2CCN([C@H](C)c3nnc(C)o3)CC2)cs1 CCO[*:1] Cc1nnc(o1)[C@@H](C)N1CCN(CC1)Cc1csc(n1)[C@@H](C)[*:1]
CCO[C@H](C)c1nc(CN2CCN([C@H](C)c3nnc(C)o3)CC2)cs1 Cc1nnc(o1)[*:1] CCO[C@H](C)c1nc(cs1)CN1CCN(CC1)[C@H](C)[*:1]
CCO[C@H](C)c1nc(CN2CCN([C@H](C)c3nnc(C)o3)CC2)cs1 CCO[C@H](C)[*:1] Cc1nnc(o1)[C@@H](C)N1CCN(CC1)Cc1csc(n1)[*:1]
CCO[C@H](C)c1nc(CN2CCN([C@H](C)c3nnc(C)o3)CC2)cs1 Cc1nnc(o1)[C@@H](C)[*:1] CCO[C@H](C)c1nc(cs1)CN1CCN(CC1)[*:1]
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(-c2cnco2)cc1 c1ncc(o1)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(cc1)[*:1]
Cc1nc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n(C[C@@H]2CCCO2)c1C FC(F)(F)[*:1] Cc1nc(SCC(=O)Nc2ccc(Cl)cc2[*:1])n(C[C@@H]2CCCO2)c1C
CCOc1c(C)cc(S(=O)(=O)NCc2ccsc2)cc1C c1cc(cs1)C[*:1] CCOc1c(C)cc(cc1C)S(=O)(=O)N[*:1]
CCOc1c(C)cc(S(=O)(=O)NCc2ccsc2)cc1C c1cc(cs1)[*:1] CCOc1c(C)cc(cc1C)S(=O)(=O)NC[*:1]
CCOc1c(C)cc(S(=O)(=O)NCc2ccsc2)cc1C CCO[*:1] Cc1cc(cc(C)c1[*:1])S(=O)(=O)NCc1ccsc1
Cn1cc[nH+]c1CN1CCC(c2nc(-c3ccccn3)no2)CC1 c1ccc(nc1)[*:1] Cn1cc[nH+]c1CN1CCC(CC1)c1nc(no1)[*:1]
CSc1ncc(C(=O)N2CCC[C@@H](C)C2)n1-c1ccccc1 c1ccc(cc1)[*:1] CSc1ncc(C(=O)N2CCC[C@@H](C)C2)n1[*:1]
C[C@@H]1C[C@H]1C(=O)NC[C@H](O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H]1C[C@H]1C(=O)NC[C@H](O)c1ccccc1[*:1]
C[C@@H]1C[C@H]1C(=O)NC[C@H](O)c1ccccc1C(F)(F)F C[C@@H]1C[C@@H]1[*:1] O=C(NC[C@H](O)c1ccccc1C(F)(F)F)[*:1]
C=CCn1c(=O)c2c(nc3n(-c4ccccc4C)c(C)c(C)n23)n(C)c1=O Cc1ccccc1[*:1] C=CCn1c(=O)c2c(nc3n(c(C)c(C)n23)[*:1])n(C)c1=O
C=CCn1c(=O)c2c(nc3n(-c4ccccc4C)c(C)c(C)n23)n(C)c1=O C=CC[*:1] Cc1ccccc1-n1c(C)c(C)n2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
COc1ccc(N(Cc2cccs2)C(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 c1csc(c1)[*:1] COc1ccc(cc1)N(C[*:1])C(=O)CSc1nc(C)c(C)c(C)c1C#N
COc1ccc(N(Cc2cccs2)C(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 COc1ccc(cc1)[*:1] Cc1nc(SCC(=O)N(Cc2cccs2)[*:1])c(C#N)c(C)c1C
COc1ccc(N(Cc2cccs2)C(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 c1csc(c1)C[*:1] COc1ccc(cc1)N(C(=O)CSc1nc(C)c(C)c(C)c1C#N)[*:1]
CC(=O)Nc1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)cc1 Clc1ccc(cc1Cl)[*:1] CC(=O)Nc1ccc(cc1)OC(=O)[C@H](C)O[*:1]
CC(=O)Nc1ccc(OC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)cc1 CC(=O)N[*:1] C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Oc1ccc(cc1)[*:1]
COc1cccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)c1 Cc1ccc(Cl)cc1[*:1] COc1cccc(c1)NC(=O)[C@@H](C)Oc1ccc(=O)n(n1)[*:1]
COc1cccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)c1 COc1cccc(c1)[*:1] Cc1ccc(Cl)cc1-n1nc(ccc1=O)O[C@H](C)C(=O)N[*:1]
C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)C1CCC1 C1CC(C1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)C(=O)N1CCCCC1)[*:1]
CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccccc1 CC(C)(C)[*:1] CCn1c(nnc1-c1ccccc1)SCC(=O)NC(=O)N[*:1]
CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)NC(=O)NC(C)(C)C
CCOc1ccc2[nH]c(C3CC([O-])C3)nc2n1 [O-]C1CC(C1)[*:1] CCOc1ccc2[nH]c(nc2n1)[*:1]
CCOc1ccc2[nH]c(C3CC([O-])C3)nc2n1 CCO[*:1] [O-]C1CC(C1)c1nc2nc(ccc2[nH]1)[*:1]
CC1(C)CN(Cc2cccc(OCc3ccccn3)c2)CC[S@]1=O c1ccc(C[*:1])nc1 CC1(C)CN(CC[S@]1=O)Cc1cccc(c1)O[*:1]
CC1(C)CN(Cc2cccc(OCc3ccccn3)c2)CC[S@]1=O c1ccc(nc1)[*:1] CC1(C)CN(CC[S@]1=O)Cc1cccc(c1)OC[*:1]
CC1(C)CN(Cc2cccc(OCc3ccccn3)c2)CC[S@]1=O c1ccc(CO[*:1])nc1 CC1(C)CN(CC[S@]1=O)Cc1cccc(c1)[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)NCc2cc[nH]n2)cc1 C1CCC(CC1)[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)NCc1cc[nH]n1)[*:1]
CC(C)Oc1cccc([C@H]2CCCCC[C@@H]2[NH3+])c1 CC(C)[*:1] [NH3+][C@H]1CCCCC[C@@H]1c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@H]2CCCCC[C@@H]2[NH3+])c1 CC(C)O[*:1] [NH3+][C@H]1CCCCC[C@@H]1c1cccc(c1)[*:1]
CN(C)C(=O)[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1 CN(C)C(=O)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)O[C@@H](c1ccccc1)[*:1]
CN(C)C(=O)[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)[*:1]
O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1cccs1
O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(I)cc1 c1csc(c1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccc(I)cc1
O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(I)cc1 O=C(N[*:1])c1cccs1 O=C(Nc1ccc(cc1)[*:1])c1ccc(I)cc1
FC(F)(F)C[n+]1csc2ccccc21 FC(F)(F)[*:1] c1ccc2c(c1)sc[n+]2C[*:1]
Cc1ccn(-c2cc(NCCNC(=O)C(C)C)ncn2)n1 Cc1ccn(n1)[*:1] CC(C)C(=O)NCCNc1cc(ncn1)[*:1]
Cc1ccn(-c2cc(NCCNC(=O)C(C)C)ncn2)n1 CC(C)C(=O)NC[*:1] Cc1ccn(n1)-c1cc(ncn1)NC[*:1]
Cc1ccn(-c2cc(NCCNC(=O)C(C)C)ncn2)n1 CC(C)C(=O)N[*:1] Cc1ccn(n1)-c1cc(ncn1)NCC[*:1]
Cc1ccn(-c2cc(NCCNC(=O)C(C)C)ncn2)n1 CC(C)[*:1] Cc1ccn(n1)-c1cc(ncn1)NCCNC(=O)[*:1]
CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1=O Cc1cc(C)c(NC(=O)[*:1])c(C)c1 CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(c1=O)[C@@H](C)[*:1]
CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1=O Cc1cc(C)c(c(C)c1)[*:1] CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(c1=O)[C@@H](C)C(=O)N[*:1]
CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1=O CC(=O)Nc1ccc(C)cc1[*:1] Cc1cc(C)c(NC(=O)[C@H](C)n2c(=O)c(nc3ccccc32)[*:1])c(C)c1
CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1=O CC(=O)N[*:1] Cc1cc(C)c(NC(=O)[C@H](C)n2c(=O)c(nc3ccccc32)-c2cc(C)ccc2[*:1])c(C)c1
O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(CNC(=O)N1CCN(CC1)c1cccc(Cl)c1)N[*:1]
O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(O)cc1 Clc1cccc(c1)[*:1] O=C(CNC(=O)N1CCN(CC1)[*:1])Nc1ccc(O)cc1
CC(C)CC(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 CC(C)CC(=O)N[*:1] O=C(CSc1nc2ccc(cc2s1)[*:1])N1CCc2ccccc21
CC(C)CC(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 CC(C)[*:1] O=C(C[*:1])Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1
CC(C)CC(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 CC(C)C[*:1] O=C(CSc1nc2ccc(cc2s1)NC(=O)[*:1])N1CCc2ccccc21
C[C@@H]1CN(c2cccc(F)c2C(N)=S)S(=O)(=O)C1 NC(=S)[*:1] C[C@@H]1CN(c2cccc(F)c2[*:1])S(=O)(=O)C1
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C)c2C)CC1 c1ccc2c(c[nH]c2c1)C[*:1] CC(=O)N[C@H](C(=O)N1CCN(CC1)c1cccc(C)c1C)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C)c2C)CC1 Cc1cccc(c1C)[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(CC1)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C)c2C)CC1 CC(=O)N[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C)c2C)CC1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)N1CCN(CC1)c1cccc(C)c1C
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc2cc(F)ccc2s1 O=C([O-])[*:1] C[C@H]1[C@@H](CCN1C(=O)c1cc2cc(F)ccc2s1)[*:1]
CC(C)(C)c1cc(=O)[nH]c(-c2cccc(C[NH+]3CCN4CCC3CC4)c2)n1 CC(C)(C)[*:1] O=c1cc(nc([nH]1)-c1cccc(c1)C[NH+]1CCN2CCC1CC2)[*:1]
CC(C)S(=O)(=O)CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C CC(C)S(=O)(=O)[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C[*:1]
CC(C)S(=O)(=O)CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C CC(C)[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)CS(=O)(=O)[*:1]
COc1cccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)c1cccc(c1)Nc1cc(ncn1)[*:1]
COc1cccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)c1 COc1cccc(c1)C[*:1] O=C(N[*:1])c1cccc(c1)Nc1cc(ncn1)-c1ccc(F)cc1
COc1cccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])c1cccc(c1)Nc1cc(ncn1)-c1ccc(F)cc1
O=C(Nc1cccc(N2CCCC2=O)c1)C(=O)N[C@H]1CCC[C@@H](C2CC2)C1 C1CC1[*:1] O=C(Nc1cccc(c1)N1CCCC1=O)C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
O=C(Nc1cccc(N2CCCC2=O)c1)C(=O)N[C@H]1CCC[C@@H](C2CC2)C1 O=C1CCCN1[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N[C@H]1CCC[C@H](C1)C1CC1
CC(C)CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(Br)c1 c1ccc(cc1)[*:1] CC(C)CN1C(=O)c2[nH]nc(c2[C@H]1c1cccc(Br)c1)[*:1]
CC(C)CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(Br)c1 CC(C)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(Br)c2)N1C[*:1]
CC(C)CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] CC(C)CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1[*:1]
CC(C)CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(Br)c1 CC(C)C[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(Br)c2)N1[*:1]
Cc1cscc1[C@@H](O)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 Cc1cscc1[*:1] [NH3+]C[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 Cc1noc(C)c1[*:1] C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 NC(=O)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[C@@H](C)C(=O)Nc1sccc1[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 NC(=O)c1ccsc1[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
CS(=O)(=O)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)n2)cc1 CS(=O)(=O)[*:1] O=S(=O)(c1cccc2cccnc12)N1CCC(CC1)c1nc(no1)-c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)n2)cc1 c1cnc2c(cccc2c1)[*:1] CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)S(=O)(=O)[*:1]
CS(=O)(=O)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)n2)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=S(=O)(c1cccc2cccnc12)N1CCC(CC1)c1nc(no1)[*:1]
O=C(Nc1cccc(NC(=S)Nc2ccccc2)c1)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NC(=S)N[*:1])c1ccco1
O=C(Nc1cccc(NC(=S)Nc2ccccc2)c1)c1ccco1 O=C(N[*:1])c1ccco1 S=C(Nc1ccccc1)Nc1cccc(c1)[*:1]
O=C(Nc1cccc(NC(=S)Nc2ccccc2)c1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)NC(=S)Nc1ccccc1)[*:1]
CCSc1ncc(-c2nccn2-c2ccc(S(N)(=O)=O)cc2)cn1 NS(=O)(=O)[*:1] CCSc1ncc(cn1)-c1nccn1-c1ccc(cc1)[*:1]
CCSc1ncc(-c2nccn2-c2ccc(S(N)(=O)=O)cc2)cn1 CCS[*:1] NS(=O)(=O)c1ccc(cc1)-n1ccnc1-c1cnc(nc1)[*:1]
C[C@H]1C[C@H](C)C[NH+](C[C@@H](C)NC(=O)c2ccccc2O)C1 Oc1ccccc1[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C[C@@H](C)NC(=O)[*:1]
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1cc(Br)ccc1Cl CS(=O)(=O)[*:1] Cc1cc(ccc1NC(=O)c1cc(Br)ccc1Cl)[*:1]
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1cc(C(F)(F)F)ccc1=O CCOC(=O)[*:1] Cc1[nH]c(C)c(c1C(=O)Cn1cc(ccc1=O)C(F)(F)F)[*:1]
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1cc(C(F)(F)F)ccc1=O FC(F)(F)[*:1] CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1cc(ccc1=O)[*:1]
CCc1nn(C)cc1C(=O)O[C@H](C)c1nccs1 c1csc(n1)[*:1] CCc1nn(C)cc1C(=O)O[C@H](C)[*:1]
CCCCN1C(=O)[C@@H](C)Oc2ccc(N)cc21 CCC[*:1] C[C@H]1Oc2ccc(N)cc2N(C[*:1])C1=O
CCCCN1C(=O)[C@@H](C)Oc2ccc(N)cc21 CCCC[*:1] C[C@H]1Oc2ccc(N)cc2N(C1=O)[*:1]
Cc1ccc(-c2nc(CC(=O)Nc3cccc(F)c3C)cs2)cc1 Cc1c(F)cccc1[*:1] Cc1ccc(cc1)-c1nc(cs1)CC(=O)N[*:1]
Cc1ccc(-c2nc(CC(=O)Nc3cccc(F)c3C)cs2)cc1 Cc1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)Cc1csc(n1)[*:1]
CCC1=C2C(=O)N(CCOC)C(=S)N=C2S[C@@H]1C COCC[*:1] CCC1=C2C(=O)N(C(=S)N=C2S[C@@H]1C)[*:1]
CCC1=C2C(=O)N(CCOC)C(=S)N=C2S[C@@H]1C COC[*:1] CCC1=C2C(=O)N(C[*:1])C(=S)N=C2S[C@@H]1C
Cc1ccc(-c2nc(CCN(C)C(=O)c3c(F)cccc3F)no2)cc1 Cc1ccc(cc1)[*:1] CN(CCc1noc(n1)[*:1])C(=O)c1c(F)cccc1F
Cc1ccc(-c2nc(CCN(C)C(=O)c3c(F)cccc3F)no2)cc1 Fc1cccc(F)c1[*:1] Cc1ccc(cc1)-c1nc(CCN(C)C(=O)[*:1])no1
O=S1(=O)CCC2(CC[NH2+]C[C@@H]2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=S1(=O)CCC2(CC[NH2+]C[C@@H]2C[*:1])CC1
COc1ccccc1CNC(=O)C[S@](=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccccc1CNC(=O)C[S@](=O)C[*:1]
Cc1cn(CCC2OCCCO2)nc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cn(CCC2OCCCO2)nc1[*:1]
Oc1c(O)/c(=N\CC2CC2)c1=[N+]1CCN(c2ccccn2)CC1 C1CC1[*:1] Oc1c(O)/c(=N\C[*:1])c1=[N+]1CCN(CC1)c1ccccn1
Oc1c(O)/c(=N\CC2CC2)c1=[N+]1CCN(c2ccccn2)CC1 C1CC1C[*:1] Oc1c(O)c(=N[*:1])c1=[N+]1CCN(CC1)c1ccccn1
Oc1c(O)/c(=N\CC2CC2)c1=[N+]1CCN(c2ccccn2)CC1 c1ccc(nc1)[*:1] Oc1c(O)/c(=N\CC2CC2)c1=[N+]1CCN(CC1)[*:1]
CCc1ccc(C(=O)NNS(=O)(=O)c2ccsc2C(=O)OC)cc1 COC(=O)[*:1] CCc1ccc(cc1)C(=O)NNS(=O)(=O)c1ccsc1[*:1]
CCc1ccc(C(=O)NNS(=O)(=O)c2ccsc2C(=O)OC)cc1 CCc1ccc(cc1)[*:1] COC(=O)c1sccc1S(=O)(=O)NNC(=O)[*:1]
COc1cccc(CO[C@H](C)C(=O)Nc2cc(C)nn2C)c1 Cc1cc(n(C)n1)[*:1] COc1cccc(c1)CO[C@H](C)C(=O)N[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 CCS(=O)(=O)[*:1] C[C@H]([NH2+][C@H](C)C[*:1])c1ccc2ccccc2n1
CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 CCS(=O)(=O)C[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1ccc2ccccc2n1
CCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CCN(C)S(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccnc(NC(=O)[C@@H](c2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] COC(=O)c1ccnc(c1)NC(=O)[C@@H](C(C)C)[*:1]
COC(=O)c1ccnc(NC(=O)[C@@H](c2ccccc2)C(C)C)c1 CC(C)[*:1] COC(=O)c1ccnc(c1)NC(=O)[C@@H](c1ccccc1)[*:1]
COC(=O)c1ccnc(NC(=O)[C@@H](c2ccccc2)C(C)C)c1 COC(=O)[*:1] CC(C)[C@@H](C(=O)Nc1cc(ccn1)[*:1])c1ccccc1
CC1CCN(c2ccc(CNC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)C3CC3)c[nH+]2)CC1 CC1CCN(CC1)[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)NCc2ccc([nH+]c2)[*:1])C2CC2)o1
CC1CCN(c2ccc(CNC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)C3CC3)c[nH+]2)CC1 C1CC1[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)N(Cc1ccc(o1)[C@@H]1C[C@@H]1C)[*:1]
CCn1ccnc(SCCC(=O)OC)c1=O COC(=O)[*:1] CCn1ccnc(SCC[*:1])c1=O
CCn1ccnc(SCCC(=O)OC)c1=O COC(=O)C[*:1] CCn1ccnc(SC[*:1])c1=O
CCc1nsc(N2C[C@@H](C)[C@@H]2c2ccccc2)n1 c1ccc(cc1)[*:1] CCc1nsc(n1)N1C[C@@H](C)[C@H]1[*:1]
Cc1cncc(C(=O)N2CCCCc3cc(Br)ccc32)c1 Cc1cncc(c1)[*:1] O=C(N1CCCCc2cc(Br)ccc21)[*:1]
CC[C@H]1CC(=O)N(CCn2cc(C(=O)[O-])nn2)C1 O=C([O-])[*:1] CC[C@H]1CC(=O)N(CCn2cc(nn2)[*:1])C1
O=C(NCC1CCN(c2ncccn2)CC1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 c1cnc(nc1)[*:1] O=C(NCC1CCN(CC1)[*:1])C(=O)Nc1cc2CCCN3C(=O)CCc(c1)c23
C[C@@H]1C[C@@H]([NH3+])CN(C(=O)/C=C/c2cccs2)C1 c1csc(c1)[*:1] C[C@@H]1C[C@@H]([NH3+])CN(C1)C(=O)C=C[*:1]
CC(C)[C@@H](CCO)NC(=O)N[C@H](C)c1nc(C2CCCC2)no1 CC(C)[*:1] C[C@@H](NC(=O)N[C@H](CCO)[*:1])c1nc(no1)C1CCCC1
CC(C)[C@@H](CCO)NC(=O)N[C@H](C)c1nc(C2CCCC2)no1 OCC[*:1] CC(C)[C@@H](NC(=O)N[C@H](C)c1nc(no1)C1CCCC1)[*:1]
CC(C)[C@@H](CCO)NC(=O)N[C@H](C)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] CC(C)[C@@H](CCO)NC(=O)N[C@H](C)c1nc(no1)[*:1]
CC(C)[C@@H](CCO)NC(=O)N[C@H](C)c1nc(C2CCCC2)no1 CC(C)[C@@H](CCO)[*:1] C[C@@H](NC(=O)N[*:1])c1nc(no1)C1CCCC1
CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)Cn1c(=O)c2cccn2c2cccnc21
CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)Cn1c(=O)c2cccn2c2cccnc21
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 c1ccc(cc1)[*:1] N#C[C@H](C(=O)[C@@H]1C[C@@H]1[*:1])c1nc2sc3CCCCc3c2c(=O)[nH]1
C[C@@H](C1CC1)n1nccc1NC(=O)CSc1nncn1C1CC1 C[C@@H](C1CC1)[*:1] O=C(CSc1nncn1C1CC1)Nc1ccnn1[*:1]
C[C@@H](C1CC1)n1nccc1NC(=O)CSc1nncn1C1CC1 C1CC1[*:1] C[C@@H](n1nccc1NC(=O)CSc1nncn1C1CC1)[*:1]
C[C@@H](C1CC1)n1nccc1NC(=O)CSc1nncn1C1CC1 C1CC1[*:1] C[C@@H](C1CC1)n1nccc1NC(=O)CSc1nncn1[*:1]
COCc1ccccc1C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 COC[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)c1ccccc1[*:1]
C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)n1cncn1 C[C@H](n1cncn1)[*:1] O=C(NCc1ccccc1C[NH+]1CCCCC1)[*:1]
C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)[*:1]
Cc1nc(C)n([C@H](C)CC(=O)N[C@H](Cc2ccsc2)c2cccnc2)n1 c1cc(cs1)[*:1] Cc1nc(C)n(n1)[C@H](C)CC(=O)N[C@H](C[*:1])c1cccnc1
Cc1nc(C)n([C@H](C)CC(=O)N[C@H](Cc2ccsc2)c2cccnc2)n1 Cc1nc(C)n(n1)[*:1] C[C@H](CC(=O)N[C@H](Cc1ccsc1)c1cccnc1)[*:1]
Cc1nc(C)n([C@H](C)CC(=O)N[C@H](Cc2ccsc2)c2cccnc2)n1 c1cc(cs1)C[*:1] Cc1nc(C)n(n1)[C@H](C)CC(=O)N[C@H](c1cccnc1)[*:1]
Cc1nc(C)n([C@H](C)CC(=O)N[C@H](Cc2ccsc2)c2cccnc2)n1 c1cncc(c1)[*:1] Cc1nc(C)n(n1)[C@H](C)CC(=O)N[C@H](Cc1ccsc1)[*:1]
O=C1COc2cc(C(=O)NCc3ccccc3N3CCOCC3)ccc2N1 C1CN(CCO1)[*:1] O=C1COc2cc(ccc2N1)C(=O)NCc1ccccc1[*:1]
CC(C)COC1CCN(C(=O)NC[C@H](C)N(C)c2ccccc2)CC1 CC(C)C[*:1] C[C@@H](CNC(=O)N1CCC(CC1)O[*:1])N(C)c1ccccc1
CC(C)COC1CCN(C(=O)NC[C@H](C)N(C)c2ccccc2)CC1 CC(C)CO[*:1] C[C@@H](CNC(=O)N1CCC(CC1)[*:1])N(C)c1ccccc1
CC(C)COC1CCN(C(=O)NC[C@H](C)N(C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)COC1CCN(CC1)C(=O)NC[C@H](C)N(C)[*:1]
CC(C)COC1CCN(C(=O)NC[C@H](C)N(C)c2ccccc2)CC1 CN(c1ccccc1)[*:1] CC(C)COC1CCN(CC1)C(=O)NC[C@H](C)[*:1]
CC(C)COC1CCN(C(=O)NC[C@H](C)N(C)c2ccccc2)CC1 CC(C)[*:1] C[C@@H](CNC(=O)N1CCC(CC1)OC[*:1])N(C)c1ccccc1
CCCc1ccc([C@@H]([NH2+]C[C@@]2(O)CCOC2)C(C)C)cc1 CCC[*:1] CC(C)[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(cc1)[*:1]
CCCc1ccc([C@@H]([NH2+]C[C@@]2(O)CCOC2)C(C)C)cc1 CC(C)[*:1] CCCc1ccc(cc1)[C@@H]([NH2+]C[C@@]1(O)CCOC1)[*:1]
CCc1ncc2c(n1)C[NH+](CCCS(=O)(=O)c1ccccc1)CC2 c1ccc(cc1)[*:1] CCc1ncc2CC[NH+](CCCS(=O)(=O)[*:1])Cc2n1
Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2cc(C#N)ccc2Cl)s1 Cc1ccc(s1)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)[C@H]1C[C@H]1[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)OC1CCCCC1 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])OC1CCCCC1
O=C(Cn1nnc(-c2ccccc2)n1)OC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cn1nnc(n1)-c1ccccc1)O[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](O)C1CCCCC1 C1CCC(CC1)[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@H](O)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](O)C1CCCCC1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@H](O)C1CCCCC1)[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)N[*:1]
O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)NCc1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] O=C(CN1CCN(C1=O)c1ccc(Cl)cc1)NC[*:1]
O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)NCc1nc2ccccc2[nH]1 Clc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])NCc1nc2ccccc2[nH]1
Nn1c(Cc2cccc3ccccc23)nnc1SCc1nnc(-c2ccc(Cl)cc2)o1 c1ccc2c(cccc2c1)[*:1] Nn1c(C[*:1])nnc1SCc1nnc(o1)-c1ccc(Cl)cc1
Nn1c(Cc2cccc3ccccc23)nnc1SCc1nnc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] Nn1c(Cc2cccc3ccccc23)nnc1SCc1nnc(o1)[*:1]
CCn1nc(C(C)C)cc1C(=O)N[C@@H](CC(N)=O)C(=O)[O-] NC(=O)[*:1] CCn1nc(cc1C(=O)N[C@@H](C[*:1])C(=O)[O-])C(C)C
CCn1nc(C(C)C)cc1C(=O)N[C@@H](CC(N)=O)C(=O)[O-] O=C([O-])[*:1] CCn1nc(cc1C(=O)N[C@@H](CC(N)=O)[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)N[C@@H](CC(N)=O)C(=O)[O-] NC(=O)C[*:1] CCn1nc(cc1C(=O)N[C@@H](C(=O)[O-])[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)N[C@@H](CC(N)=O)C(=O)[O-] CC(C)[*:1] CCn1nc(cc1C(=O)N[C@@H](CC(N)=O)C(=O)[O-])[*:1]
Cc1ccc(Cl)cc1NC(=O)NCc1cccc(C(N)=O)c1 NC(=O)[*:1] Cc1ccc(Cl)cc1NC(=O)NCc1cccc(c1)[*:1]
Clc1ccc(C[NH2+]CCCn2cnc3ccccc32)o1 Clc1ccc(o1)[*:1] c1ccc2c(c1)ncn2CCC[NH2+]C[*:1]
CCc1noc(-c2ccc(CCNC(=O)c3cccc4c3OCO4)cc2)n1 CCc1noc(n1)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1cccc2OCOc21
CCc1noc(-c2ccc(CCNC(=O)c3cccc4c3OCO4)cc2)n1 c1cc2OCOc2c(c1)[*:1] CCc1noc(n1)-c1ccc(cc1)CCNC(=O)[*:1]
Cc1ccsc1/C=C/C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 Cc1ccsc1C=C[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccsc1/C=C/C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 Cc1ccsc1[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)C(=O)C=C[*:1]
Cc1ccsc1/C=C/C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] Cc1ccsc1/C=C/C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC[C@H](CC1CCCC1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 C1CCC(C1)[*:1] CC[C@H](C[*:1])C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
CC[C@H](CC1CCCC1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 C1CCC(C1)C[*:1] CC[C@H](C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
C[C@@H](C[NH3+])CN1C(=O)N[C@](C)(c2ccco2)C1=O c1coc(c1)[*:1] C[C@@H](C[NH3+])CN1C(=O)N[C@](C)(C1=O)[*:1]
CC(=O)[C@@H](O)[C@@H](c1ccccc1)c1c([O-])oc2ccccc2c1=O CC(=O)[*:1] O=c1c(c([O-])oc2ccccc12)[C@H](c1ccccc1)[C@H](O)[*:1]
CC(=O)[C@@H](O)[C@@H](c1ccccc1)c1c([O-])oc2ccccc2c1=O c1ccc(cc1)[*:1] CC(=O)[C@@H](O)[C@@H](c1c([O-])oc2ccccc2c1=O)[*:1]
CC(=O)[C@@H](O)[C@@H](c1ccccc1)c1c([O-])oc2ccccc2c1=O CC(=O)[C@@H](O)[*:1] O=c1c(c([O-])oc2ccccc12)[C@H](c1ccccc1)[*:1]
Cc1c(Br)cccc1C[S@@](=O)C[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1c(Br)cccc1C[S@@](=O)C[C@H](C)[*:1]
Cc1c(Br)cccc1C[S@@](=O)C[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] Cc1c(Br)cccc1C[S@@](=O)C[C@H](C)C[*:1]
Cc1csc([C@H](C)NC(=O)C2CCN(C(=O)c3cnoc3C)CC2)n1 Cc1oncc1[*:1] Cc1csc(n1)[C@H](C)NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1csc([C@H](C)NC(=O)C2CCN(C(=O)c3cnoc3C)CC2)n1 Cc1csc(n1)[*:1] Cc1oncc1C(=O)N1CCC(CC1)C(=O)N[C@@H](C)[*:1]
CCc1nn(C)c(OC)c1CNc1nc(C(C)C)no1 CC(C)[*:1] CCc1nn(C)c(OC)c1CNc1nc(no1)[*:1]
Cn1ccnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 Cn1ccnc1S[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
Cn1ccnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] Cn1ccnc1SCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
Cn1ccnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 Cn1ccnc1SC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
Cn1ccnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] Cn1ccnc1SCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cn1ccnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 Cn1ccnc1[*:1] O=C(CS[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1[*:1]
Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)cc1 Cc1ccc(cc1)[*:1] O=C1C(O)=C([C@@H](c2cccc(Cl)c2)N1Cc1cccnc1)[*:1]
Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)C1=C(O)C(=O)N(C[*:1])[C@@H]1c1cccc(Cl)c1
Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)C1=C(O)C(=O)N([C@@H]1c1cccc(Cl)c1)[*:1]
C[C@H]1CN(C(=O)c2cnsn2)C[C@H](C)S1 c1nsnc1[*:1] C[C@H]1CN(C[C@H](C)S1)C(=O)[*:1]
Cc1c(Br)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(Br)cc(c(C)c1[N+](=O)[O-])[*:1]
Cc1c(Br)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(Br)cc(c(C)c1[*:1])[N+](=O)[O-]
O=C(c1ccccn1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 c1ccc(nc1)[*:1] O=C(N1CCC[C@H](C1)c1nc(ncc1-c1cccnc1)N1CCOCC1)[*:1]
O=C(c1ccccn1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 c1cncc(c1)[*:1] O=C(c1ccccn1)N1CCC[C@H](C1)c1nc(ncc1[*:1])N1CCOCC1
O=C(c1ccccn1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 C1CN(CCO1)[*:1] O=C(c1ccccn1)N1CCC[C@H](C1)c1nc(ncc1-c1cccnc1)[*:1]
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 C[S@](=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)[C@@H]1CCCN(C1)C(N)=O
O=C(CSc1ccc(Cl)cc1)NNC(=O)C[C@H]1Sc2ccccc2NC1=O Clc1ccc(cc1)SC[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)[*:1]
O=C(CSc1ccc(Cl)cc1)NNC(=O)C[C@H]1Sc2ccccc2NC1=O Clc1ccc(cc1)[*:1] O=C(CS[*:1])NNC(=O)C[C@H]1Sc2ccccc2NC1=O
O=C(CSc1ccc(Cl)cc1)NNC(=O)C[C@H]1Sc2ccccc2NC1=O Clc1ccc(cc1)S[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)C[*:1]
CCOC(=O)C1CCN(c2ncnc(-n3cnc4ccccc43)c2N)CC1 c1ccc2c(c1)ncn2[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(c1N)[*:1]
CCOC(=O)C1CCN(c2ncnc(-n3cnc4ccccc43)c2N)CC1 CCOC(=O)[*:1] Nc1c(ncnc1-n1cnc2ccccc21)N1CCC(CC1)[*:1]
CNS(=O)(=O)c1ccc([C@H](C)NCCc2cc3ccccc3[nH]2)cc1 CNS(=O)(=O)[*:1] C[C@H](NCCc1cc2ccccc2[nH]1)c1ccc(cc1)[*:1]
COc1ccccc1/C=C\C1=N/C(=C\N(C)C)C(=O)O1 CN(C)[*:1] COc1ccccc1/C=C\C1=N/C(=C[*:1])/C(=O)O1
CCc1cccc2sc(NC(=O)C=Cc3ccc([N+](=O)[O-])s3)nc12 O=[N+]([O-])[*:1] CCc1cccc2sc(nc12)NC(=O)C=Cc1ccc(s1)[*:1]
CCc1cccc2sc(NC(=O)C=Cc3ccc([N+](=O)[O-])s3)nc12 O=[N+]([O-])c1ccc(s1)[*:1] CCc1cccc2sc(nc12)NC(=O)C=C[*:1]
CCCCS(=O)(=O)NCC(=O)N1CCC[C@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCCCS(=O)(=O)NCC(=O)N1CCC[C@@H]1[*:1]
CCCCS(=O)(=O)NCC(=O)N1CCC[C@H]1c1ccc(O)cc1 CCCC[*:1] O=C(CNS(=O)(=O)[*:1])N1CCC[C@H]1c1ccc(O)cc1
CCCCS(=O)(=O)NCC(=O)N1CCC[C@H]1c1ccc(O)cc1 CCC[*:1] O=C(CNS(=O)(=O)C[*:1])N1CCC[C@H]1c1ccc(O)cc1
CCNC(=O)c1cccc(NC(=O)C[S@](=O)Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] CCNC(=O)c1cccc(c1)NC(=O)C[S@](=O)C[*:1]
CCNC(=O)c1cccc(NC(=O)C[S@](=O)Cc2ccccc2Cl)c1 CCNC(=O)[*:1] O=C(C[S@](=O)Cc1ccccc1Cl)Nc1cccc(c1)[*:1]
CCNC(=O)c1cccc(NC(=O)C[S@](=O)Cc2ccccc2Cl)c1 Clc1ccccc1C[*:1] CCNC(=O)c1cccc(c1)NC(=O)C[S@](=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCNC(=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C[NH2+]CCNC(=O)c1ccc(Cl)cc1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCNC(=O)[*:1]
FC(F)(F)CCc1noc(C[C@@H]2CSCC[NH2+]2)n1 FC(F)(F)CC[*:1] C1CSC[C@@H](Cc2nc(no2)[*:1])[NH2+]1
FC(F)(F)CCc1noc(C[C@@H]2CSCC[NH2+]2)n1 FC(F)(F)[*:1] C1CSC[C@@H](Cc2nc(CC[*:1])no2)[NH2+]1
FC(F)(F)CCc1noc(C[C@@H]2CSCC[NH2+]2)n1 FC(F)(F)C[*:1] C1CSC[C@@H](Cc2nc(C[*:1])no2)[NH2+]1
CC(C)Oc1cccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)n1 CC(C)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1cccc(n1)O[*:1]
CC(C)Oc1cccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)n1 CC(C)O[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1cccc(n1)[*:1]
O=C(NCCc1nc2ccccc2s1)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] O=C(NCCc1nc2ccccc2s1)c1ccc(nc1)[*:1]
O=C(NCCc1nc2ccccc2s1)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] O=C(NCCc1nc2ccccc2s1)c1ccc(nc1)O[*:1]
O=C(NCCc1nc2ccccc2s1)c1ccc(OCC(F)F)nc1 FC(F)[*:1] O=C(NCCc1nc2ccccc2s1)c1ccc(nc1)OC[*:1]
CC(=O)Nc1cc(NC(=O)CCc2c(C)nn(C)c2C)ccc1Cl CC(=O)N[*:1] Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(=O)Nc1cc(NC(=O)CCc2c(C)nn(C)c2C)ccc1Cl Cc1nn(C)c(C)c1[*:1] CC(=O)Nc1cc(ccc1Cl)NC(=O)CC[*:1]
C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc2c(c1)C(C)(C)C(=O)N2 NC(=O)[*:1] C[C@H]([NH2+]C[C@H]1CC[C@H](O1)[*:1])c1ccc2NC(=O)C(C)(C)c2c1
Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H](n3nnc4cc(C(F)(F)F)ccc43)C2)n1 FC(F)(F)[*:1] Cc1cc(C)n(n1)[C@H](C)CC(=O)N1CCC[C@H](C1)n1nnc2cc(ccc21)[*:1]
Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H](n3nnc4cc(C(F)(F)F)ccc43)C2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CC(=O)N1CCC[C@H](C1)n1nnc2cc(ccc21)C(F)(F)F)[*:1]
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 CCOc1ccc(cc1)[*:1] O=C1C[C@@H](C2C(=O)C[C@H](CC=2N1)[*:1])c1cccc(c1)[N+](=O)[O-]
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1cccc(c1)[*:1]
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CCOc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@H]2[*:1]
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 CCO[*:1] O=C1C[C@@H](C2C(=O)C[C@H](CC=2N1)c1ccc(cc1)[*:1])c1cccc(c1)[N+](=O)[O-]
CCNc1ncc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)s1 CCN[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)c1cnc(s1)[*:1]
CCNc1ncc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)s1 CCNc1ncc(s1)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)cc1OC Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1OC)[C@@H]1NC(=S)NC(C)=C1C(=O)N[*:1]
O=[N+]([O-])C12CN3CCN(C[NH+](C3)C1)C2 O=[N+]([O-])[*:1] C1CN2C[NH+]3CN1CC(C2)(C3)[*:1]
O=C(CCc1ccccc1)NNC(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(CCc1ccccc1)NNC(=O)c1nc(n2ccccc12)[*:1]
O=C(CCc1ccccc1)NNC(=O)c1nc(C2CC2)n2ccccc12 c1ccc(cc1)CC[*:1] O=C(NNC(=O)[*:1])c1nc(C2CC2)n2ccccc12
O=C(CCc1ccccc1)NNC(=O)c1nc(C2CC2)n2ccccc12 c1ccc(cc1)[*:1] O=C(CC[*:1])NNC(=O)c1nc(C2CC2)n2ccccc12
O=C(CCc1ccccc1)NNC(=O)c1nc(C2CC2)n2ccccc12 c1ccc(cc1)C[*:1] O=C(C[*:1])NNC(=O)c1nc(C2CC2)n2ccccc12
CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3N=CC[C@@]3(O)C(F)(F)F)C2)c(C)n1 FC(F)(F)[*:1] CCn1cc(c(C)n1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N1N=CC[C@]1(O)[*:1]
CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3N=CC[C@@]3(O)C(F)(F)F)C2)c(C)n1 CCn1cc(c(C)n1)[*:1] O=C([C@H]1CCCN(C1)S(=O)(=O)[*:1])N1N=CC[C@@]1(O)C(F)(F)F
CC(C)NC(=O)Cc1ccc(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1 CC(C)NC(=O)[*:1] O=C(NCC1(CC1)c1ccc(Cl)cc1)Nc1ccc(cc1)C[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1 CC(C)NC(=O)C[*:1] O=C(NCC1(CC1)c1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] CC(C)NC(=O)Cc1ccc(cc1)NC(=O)NCC1(CC1)[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)NC(=O)NCC1(CC1)c1ccc(Cl)cc1)N[*:1]
Cc1ccccc1SC1CCN(C(=O)c2c(C)noc2C)CC1 Cc1ccccc1[*:1] Cc1noc(C)c1C(=O)N1CCC(CC1)S[*:1]
Cc1ccccc1SC1CCN(C(=O)c2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] Cc1ccccc1SC1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] O=C(Cc1ccc(Br)cc1)Nc1ccc(cc1)S(=O)(=O)N[*:1]
O=C(Cc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 Brc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC1CCCCC1)[*:1]
O=C(Cc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 Brc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)NC1CCCCC1
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)cn1 COc1ccc(cn1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)OCC(F)(F)F
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)cn1 FC(F)(F)[*:1] COc1ccc(cn1)NC(=O)[C@H]1CCCN1C(=O)OC[*:1]
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)cn1 FC(F)(F)C[*:1] COc1ccc(cn1)NC(=O)[C@H]1CCCN1C(=O)O[*:1]
CC(C)[NH2+]C1CC(C(C)C)C1 CC(C)[*:1] CC(C)[NH2+]C1CC(C1)[*:1]
CC(C)[NH2+]C1CC(C(C)C)C1 CC(C)[*:1] CC(C)C1CC(C1)[NH2+][*:1]
O=C(/C=C(\[O-])c1ccc2c(c1)OCO2)C(F)(F)F O=C(C(F)(F)F)[*:1] [O-]C(=C[*:1])c1ccc2OCOc2c1
O=C(/C=C(\[O-])c1ccc2c(c1)OCO2)C(F)(F)F FC(F)(F)[*:1] O=C(/C=C(\[O-])c1ccc2OCOc2c1)[*:1]
CCOc1ccc(N[C@H](C)C(=O)N[C@@H](C)CC)cn1 CC[C@H](C)[*:1] CCOc1ccc(cn1)N[C@H](C)C(=O)N[*:1]
CCOc1ccc(N[C@H](C)C(=O)N[C@@H](C)CC)cn1 CCO[*:1] CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(nc1)[*:1]
Cc1cc(C)cc(N(CC(=O)NCC(C)C)S(C)(=O)=O)c1 CC(C)CNC(=O)[*:1] Cc1cc(C)cc(c1)N(C[*:1])S(C)(=O)=O
Cc1cc(C)cc(N(CC(=O)NCC(C)C)S(C)(=O)=O)c1 CC(C)[*:1] Cc1cc(C)cc(c1)N(CC(=O)NC[*:1])S(C)(=O)=O
Cc1cc(C)cc(N(CC(=O)NCC(C)C)S(C)(=O)=O)c1 CC(C)C[*:1] Cc1cc(C)cc(c1)N(CC(=O)N[*:1])S(C)(=O)=O
Cc1ccc(Br)cc1C(=O)OCCn1cncn1 c1ncn(C[*:1])n1 Cc1ccc(Br)cc1C(=O)OC[*:1]
Cc1ccc(Br)cc1C(=O)OCCn1cncn1 c1ncn(n1)[*:1] Cc1ccc(Br)cc1C(=O)OCC[*:1]
COC(=O)N1CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)C1 CC(C)=CC[*:1] COC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)C[*:1]
COC(=O)N1CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)C1 CC(C)=CCC[*:1] COC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)[*:1]
COC(=O)N1CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)C1 CC(C)=C[*:1] COC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)CC[*:1]
CC(C)(C)OCCCOc1ccccc1C[NH3+] CC(C)(C)[*:1] [NH3+]Cc1ccccc1OCCCO[*:1]
CC(C)(C)OCCCOc1ccccc1C[NH3+] CC(C)(C)O[*:1] [NH3+]Cc1ccccc1OCCC[*:1]
Cc1nc(-c2ccc(C(=O)Nc3ccc(F)cc3C)cc2)cs1 Cc1nc(cs1)[*:1] Cc1cc(F)ccc1NC(=O)c1ccc(cc1)[*:1]
CC[C@H](C)[C@@H](C(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@@H](C(=O)N[C@@H](C)c1cccc(c1)N1CCOC1=O)[*:1]
CC[C@H](C)[C@@H](C(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1 CC[C@H](C)[*:1] C[C@H](NC(=O)[C@@H](c1ccccc1)[*:1])c1cccc(c1)N1CCOC1=O
CC[C@H](C)[C@@H](C(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1 O=C1OCCN1[*:1] CC[C@H](C)[C@@H](C(=O)N[C@@H](C)c1cccc(c1)[*:1])c1ccccc1
CC(C)(C)[C@H](NC(=O)c1cccnc1Cl)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NC(=O)c1cccnc1Cl)[*:1]
CC(C)(C)[C@H](NC(=O)c1cccnc1Cl)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NC(=O)c1cccnc1Cl)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)C2(C#N)CCCC2)c1 CNC(=O)[*:1] N#CC1(CCCC1)C(=O)Nc1cc(ccc1Cl)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)C2(C#N)CCCC2)c1 N#CC1(CCCC1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1nncn1C Cn1cnnc1[*:1] C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[*:1]
COC(=O)[C@H](C)CS(=O)(=O)[N-]c1ccc(F)c(NC(C)=O)c1 COC(=O)[C@H](C)[*:1] CC(=O)Nc1cc(ccc1F)[N-]S(=O)(=O)C[*:1]
COC(=O)[C@H](C)CS(=O)(=O)[N-]c1ccc(F)c(NC(C)=O)c1 COC(=O)[*:1] CC(=O)Nc1cc(ccc1F)[N-]S(=O)(=O)C[C@@H](C)[*:1]
COC(=O)[C@H](C)CS(=O)(=O)[N-]c1ccc(F)c(NC(C)=O)c1 CC(=O)N[*:1] COC(=O)[C@H](C)CS(=O)(=O)[N-]c1ccc(F)c(c1)[*:1]
C[C@@H](CNC(=O)NCc1cccc([N+]2=CCCC2)c1)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@H](CNC(=O)NCc1cccc(c1)[N+]1=CCCC1)[*:1]
C[C@@H](CNC(=O)NCc1cccc([N+]2=CCCC2)c1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NCc1cccc(c1)[N+]1=CCCC1)N(C)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)N1CCNC(=O)[C@@H]1CCO CC(C)(C)[*:1] COc1ccc(cc1NC(=O)N1CCNC(=O)[C@@H]1CCO)[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)N1CCNC(=O)[C@@H]1CCO OCC[*:1] COc1ccc(cc1NC(=O)N1CCNC(=O)[C@H]1[*:1])C(C)(C)C
Cc1ccc(CCC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)o1 c1cnn(c1)[*:1] Cc1ccc(CCC(=O)Nc2ccc(cc2C(F)(F)F)[*:1])o1
Cc1ccc(CCC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(CCC(=O)Nc2ccc(cc2[*:1])-n2cccn2)o1
Cc1ccc(CCC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)o1 Cc1ccc(CC[*:1])o1 O=C(Nc1ccc(cc1C(F)(F)F)-n1cccn1)[*:1]
Cc1ccc(CCC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)o1 Cc1ccc(o1)[*:1] O=C(CC[*:1])Nc1ccc(cc1C(F)(F)F)-n1cccn1
Cc1ccc(CCC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)o1 Cc1ccc(C[*:1])o1 O=C(C[*:1])Nc1ccc(cc1C(F)(F)F)-n1cccn1
CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)CC[C@H](C)O)CC1 C[C@H](O)CC[*:1] CC[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)N(C)[*:1]
CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)CC[C@H](C)O)CC1 C[C@H](O)[*:1] CC[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)N(C)CC[*:1]
CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)CC[C@H](C)O)CC1 C[C@H](O)C[*:1] CC[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)N(C)C[*:1]
Cc1ccc(CCNC(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NCC[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
CC[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)[*:1]
CN(C)C(=O)c1ccc(C[NH+](C)CCCc2n[nH]c(N)c2C#N)cc1 N#Cc1c(n[nH]c1N)[*:1] CN(C)C(=O)c1ccc(cc1)C[NH+](C)CCC[*:1]
CN(C)C(=O)c1ccc(C[NH+](C)CCCc2n[nH]c(N)c2C#N)cc1 CN(C)C(=O)[*:1] C[NH+](CCCc1n[nH]c(N)c1C#N)Cc1ccc(cc1)[*:1]
CC(C)c1cc(NC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)no1 CC(C)[*:1] O=C(Nc1cc(on1)[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
CC(C)c1cc(NC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)no1 CC(C)c1cc(no1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
COCCn1/c(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc2ccccc21 COCC[*:1] O=C(/N=c1\sc2ccccc2n1[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
COCCn1/c(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc2ccccc21 Fc1ccc(cc1)[*:1] COCCn1/c(=N/C(=O)C2CCN(CC2)S(=O)(=O)[*:1])sc2ccccc21
COCCn1/c(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc2ccccc21 COC[*:1] O=C(/N=c1\sc2ccccc2n1C[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
CC(C)(C)Oc1cc(CNC(=O)Cc2cn3ccccc3n2)ccn1 CC(C)(C)O[*:1] O=C(Cc1cn2ccccc2n1)NCc1ccnc(c1)[*:1]
CC(C)(C)Oc1cc(CNC(=O)Cc2cn3ccccc3n2)ccn1 CC(C)(C)[*:1] O=C(Cc1cn2ccccc2n1)NCc1ccnc(c1)O[*:1]
O=C(/C=C/c1csc(Br)c1)OCCNc1cccnn1 Brc1cc(cs1)[*:1] O=C(C=C[*:1])OCCNc1cccnn1
O=C(/C=C/c1csc(Br)c1)OCCNc1cccnn1 c1cnnc(c1)[*:1] O=C(/C=C/c1csc(Br)c1)OCCN[*:1]
Nc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)s1 Nc1nnc(s1)[*:1] O=C(CS[*:1])Nc1ccccc1Sc1ccccc1
Nc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)s1 Nc1nnc(SC[*:1])s1 O=C(Nc1ccccc1Sc1ccccc1)[*:1]
Nc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)s1 c1ccc(cc1)[*:1] Nc1nnc(SCC(=O)Nc2ccccc2S[*:1])s1
Nc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)s1 c1ccc(cc1)S[*:1] Nc1nnc(SCC(=O)Nc2ccccc2[*:1])s1
Nc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)s1 Nc1nnc(S[*:1])s1 O=C(C[*:1])Nc1ccccc1Sc1ccccc1
Cc1c(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)c(C(=O)N(C)C)nn1C c1ccc(cc1)[*:1] Cc1c(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2[*:1])c(nn1C)C(=O)N(C)C
Cc1c(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)c(C(=O)N(C)C)nn1C CN(C)C(=O)[*:1] Cc1c(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)c(nn1C)[*:1]
CCNC(=O)c1csc(COc2cccc(OC)c2)n1 CCNC(=O)[*:1] COc1cccc(c1)OCc1nc(cs1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)NCC(=O)N1CCCC1 c1csc(c1)C[*:1] C[C@@H](NC(=O)NCC(=O)N1CCCC1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)NCC(=O)N1CCCC1 c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)NCC(=O)N1CCCC1
O=C(COC(=O)COc1ccc2c(c1)CCC2)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(COC(=O)COc1ccc2CCCc2c1)N[*:1]
C[C@@H](CCc1ccccc1)CC(=O)N1CC[C@H](C)[C@H](O)C1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])CC(=O)N1CC[C@H](C)[C@H](O)C1
C[C@@H](CCc1ccccc1)CC(=O)N1CC[C@H](C)[C@H](O)C1 c1ccc(cc1)C[*:1] C[C@H](CC(=O)N1CC[C@H](C)[C@H](O)C1)C[*:1]
Cc1cccc2c(CC(=O)Nc3ccccc3C(=O)NC3CC3)c[nH]c12 C1CC1[*:1] Cc1cccc2c(c[nH]c12)CC(=O)Nc1ccccc1C(=O)N[*:1]
Cc1cccc2c(CC(=O)Nc3ccccc3C(=O)NC3CC3)c[nH]c12 O=C(NC1CC1)[*:1] Cc1cccc2c(c[nH]c12)CC(=O)Nc1ccccc1[*:1]
C[C@@H](C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)Nc1ccc(=O)n(c1)Cc1ccccc1Cl)[*:1]
C[C@@H](C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)n1cncn1 Clc1ccccc1[*:1] C[C@@H](C(=O)Nc1ccc(=O)n(c1)C[*:1])n1cncn1
C[C@@H](C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)n1cncn1 Clc1ccccc1C[*:1] C[C@@H](C(=O)Nc1ccc(=O)n(c1)[*:1])n1cncn1
C[C@@H](c1ccncc1)N(C)C(=O)c1cn(Cc2cccs2)nn1 c1csc(c1)[*:1] C[C@@H](c1ccncc1)N(C)C(=O)c1cn(C[*:1])nn1
C[C@@H](c1ccncc1)N(C)C(=O)c1cn(Cc2cccs2)nn1 c1cc(ccn1)[*:1] C[C@@H](N(C)C(=O)c1cn(Cc2cccs2)nn1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)c1cn(Cc2cccs2)nn1 c1csc(c1)C[*:1] C[C@@H](c1ccncc1)N(C)C(=O)c1cn(nn1)[*:1]
O=C(/C=C/c1ccccc1)OCC(=O)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(C=C[*:1])OCC(=O)N1CCCCCC1
CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1nccs1 c1csc(n1)[*:1] CCN1C(=O)/C(=C/c2ccc3OCOc3c2)SC1=N[*:1]
CCCc1nc(C)c(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)s1 CCC[*:1] Cc1nc(sc1C(=O)NCC1(CCOCC1)c1ccc2OCOc2c1)[*:1]
CCCc1nc(C)c(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)s1 c1cc2OCOc2cc1[*:1] CCCc1nc(C)c(s1)C(=O)NCC1(CCOCC1)[*:1]
CCCc1nc(C)c(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)s1 CCCc1nc(C)c(s1)[*:1] O=C(NCC1(CCOCC1)c1ccc2OCOc2c1)[*:1]
COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3[nH]nc(C4CC4)c3Cl)C2)cc1 COc1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1C(=O)c1[nH]nc(c1Cl)C1CC1)[*:1]
COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3[nH]nc(C4CC4)c3Cl)C2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H]1C[C@H](C)N(C1)C(=O)c1[nH]nc(c1Cl)[*:1]
CC(C)(C)Oc1cc(CNC(=O)NC[C@@H](O)C(C)(C)C)ccn1 CC(C)(C)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)NC[C@@H](O)[*:1]
CC(C)(C)Oc1cc(CNC(=O)NC[C@@H](O)C(C)(C)C)ccn1 CC(C)(C)O[*:1] CC(C)(C)[C@H](O)CNC(=O)NCc1ccnc(c1)[*:1]
CC(C)(C)Oc1cc(CNC(=O)NC[C@@H](O)C(C)(C)C)ccn1 CC(C)(C)[*:1] CC(C)(C)[C@H](O)CNC(=O)NCc1ccnc(c1)O[*:1]
CCCCNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 CCC[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)NC[*:1]
CCCCNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 CCCCNC(=O)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)[*:1]
CCCCNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 CCCC[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)N[*:1]
CCc1cc([C@H](c2ccc(OC)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] CCc1cc(c(NC(=O)[*:1])s1)[C@H](c1ccc(cc1)OC)N1CC[NH+](C)CC1
CCc1cc([C@H](c2ccc(OC)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 O=C(N[*:1])c1ccccc1 CCc1cc(c(s1)[*:1])[C@H](c1ccc(cc1)OC)N1CC[NH+](C)CC1
CCc1cc([C@H](c2ccc(OC)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 COc1ccc(cc1)[*:1] CCc1cc(c(NC(=O)c2ccccc2)s1)[C@H](N1CC[NH+](C)CC1)[*:1]
CC[C@H](C)n1nccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] CC[C@H](C)n1nccc1NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CC[C@H](C)n1nccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 CC[C@H](C)[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)Nc1ccnn1[*:1]
CC[C@H](C)n1nccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 Cc1ccc(cc1)C[*:1] CC[C@H](C)n1nccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2Cl)[C@H](C)C1=O Clc1ccccc1[*:1] COc1ccc(Cl)cc1N1CCN(C(=O)[*:1])[C@H](C)C1=O
Cc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)C2CCC2)cc1 Cc1ccc(cc1)[*:1] O=C(C1CCC1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1[*:1]
Cc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)C2CCC2)cc1 C1CC(C1)[*:1] Cc1ccc(cc1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
CC[C@@H](O)[C@@H](C)c1nc(C[NH+](C)C)no1 CC[C@@H](O)[*:1] C[C@@H](c1nc(C[NH+](C)C)no1)[*:1]
Cc1ccc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCO[*:1]
Cc1ccc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC[*:1]
Cc1ccc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)OCCn1c(nc2ccccc21)[C@@H](C)NC(=O)[*:1]
Cc1ccc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)OCCn1c(nc2ccccc21)[C@@H](C)[*:1]
Cc1ccc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 Cc1ccc(cc1)OC[*:1] C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1C[*:1]
CCN(CCO)C(=O)NCc1coc(-c2ccc(C)cc2)n1 OCC[*:1] CCN(C(=O)NCc1coc(n1)-c1ccc(C)cc1)[*:1]
CCN(CCO)C(=O)NCc1coc(-c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCN(CCO)C(=O)NCc1coc(n1)[*:1]
COc1ccccc1/C=C/C(=O)Nc1cccc(CCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] COc1ccccc1/C=C/C(=O)Nc1cccc(c1)C[*:1]
COc1ccccc1/C=C/C(=O)Nc1cccc(CCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] COc1ccccc1/C=C/C(=O)Nc1cccc(c1)CC[*:1]
COc1ccccc1/C=C/C(=O)Nc1cccc(CCC(=O)N(C)C)c1 CN(C)C(=O)CC[*:1] COc1ccccc1/C=C/C(=O)Nc1cccc(c1)[*:1]
COc1ccccc1/C=C/C(=O)Nc1cccc(CCC(=O)N(C)C)c1 COc1ccccc1[*:1] CN(C)C(=O)CCc1cccc(c1)NC(=O)C=C[*:1]
COc1ccc(C[C@H]([NH3+])c2ccc(C(C)(C)C)cc2)cn1 CC(C)(C)[*:1] COc1ccc(cn1)C[C@H]([NH3+])c1ccc(cc1)[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)NCc2ccccn2)CC1 CCOc1ccccc1[*:1] O=C(NCc1ccccn1)N1CCN(CC1)C(=O)[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)NCc2ccccn2)CC1 c1ccc(C[*:1])nc1 CCOc1ccccc1C(=O)N1CCN(CC1)C(=O)N[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)NCc2ccccn2)CC1 c1ccc(nc1)[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)C(=O)NC[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)NCc2ccccn2)CC1 CCO[*:1] O=C(NCc1ccccn1)N1CCN(CC1)C(=O)c1ccccc1[*:1]
COc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)OC23CCCC3)c1 COc1ccccc1[*:1] O=C1C[C@@H](C(=O)Nc2cccc(c2)C(=O)N[*:1])C2(CCCC2)O1
CC[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)[*:1]
C[C@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)[*:1]
CCc1ccc(CC)c(NC(=O)CCc2c(C)noc2Cl)c1 Cc1noc(Cl)c1[*:1] CCc1ccc(CC)c(c1)NC(=O)CC[*:1]
C[C@@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
C[C@@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1 C[C@@H](c1ccc(Cl)cc1)[*:1] Cn1c(=O)c2c(ncn2CCCC(=O)N[*:1])n(C)c1=O
COc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OCc2ccc(cc2)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OCc2ccc(cc2)[N+](=O)[O-])c(c1)[*:1]
c1ccc2nc(NCC[NH2+]C3CCN(c4nccs4)CC3)ccc2c1 c1csc(n1)[*:1] c1ccc2nc(ccc2c1)NCC[NH2+]C1CCN(CC1)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1cccc(C)c1 COC(=O)[*:1] Cc1cccc(/C=C/C(=O)N[C@H](CC(C)C)[*:1])c1
COC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1cccc(C)c1 CC(C)C[*:1] COC(=O)[C@@H](NC(=O)/C=C/c1cccc(C)c1)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1cccc(C)c1 CC(C)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)/C=C/c1cccc(C)c1
COC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1cccc(C)c1 Cc1cccc(c1)[*:1] COC(=O)[C@@H](CC(C)C)NC(=O)C=C[*:1]
CSc1cccc(NC(=O)C(=O)NCc2nncn2C2CC2)c1 C1CC1[*:1] CSc1cccc(c1)NC(=O)C(=O)NCc1nncn1[*:1]
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CO[*:1]
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cccc(Cl)c1 Clc1cccc(c1)O[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[*:1]
C=CCNC(=S)Nc1sc2c(c1C(N)=O)CCCC2 NC(=O)[*:1] C=CCNC(=S)Nc1sc2CCCCc2c1[*:1]
C=CCNC(=S)Nc1sc2c(c1C(N)=O)CCCC2 C=CC[*:1] NC(=O)c1c(NC(=S)N[*:1])sc2CCCCc21
O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1 Clc1ccc(cc1)[*:1] O=C(N[*:1])c1cc(ccc1Sc1nnnn1-c1ccccc1)[N+](=O)[O-]
O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1 O=C(Nc1ccc(Cl)cc1)[*:1] O=[N+]([O-])c1ccc(Sc2nnnn2-c2ccccc2)c(c1)[*:1]
O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1 O=[N+]([O-])[*:1] O=C(Nc1ccc(Cl)cc1)c1cc(ccc1Sc1nnnn1-c1ccccc1)[*:1]
O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)c1cc(ccc1Sc1nnnn1[*:1])[N+](=O)[O-]
CCc1ccsc1CNC(=O)Nc1ccc(NC(C)=O)c(OC)c1 CCc1ccsc1C[*:1] COc1cc(ccc1NC(C)=O)NC(=O)N[*:1]
CCc1ccsc1CNC(=O)Nc1ccc(NC(C)=O)c(OC)c1 CC(=O)N[*:1] CCc1ccsc1CNC(=O)Nc1ccc(c(c1)OC)[*:1]
CCc1ccsc1CNC(=O)Nc1ccc(NC(C)=O)c(OC)c1 CCc1ccsc1[*:1] COc1cc(ccc1NC(C)=O)NC(=O)NC[*:1]
C[NH2+][C@@H]1CCC[C@H]1CCSc1nnnn1C1CC1 C1CC1[*:1] C[NH2+][C@@H]1CCC[C@H]1CCSc1nnnn1[*:1]
CCOC(=O)c1cccc(NCCS(C)(=O)=O)n1 CS(=O)(=O)[*:1] CCOC(=O)c1cccc(n1)NCC[*:1]
CCOC(=O)c1cccc(NCCS(C)(=O)=O)n1 CS(=O)(=O)C[*:1] CCOC(=O)c1cccc(n1)NC[*:1]
CCOC(=O)c1cccc(NCCS(C)(=O)=O)n1 CS(=O)(=O)CC[*:1] CCOC(=O)c1cccc(n1)N[*:1]
CCOC(=O)c1cccc(NCCS(C)(=O)=O)n1 CCOC(=O)[*:1] CS(=O)(=O)CCNc1cccc(n1)[*:1]
CO/N=C(/C[NH+]1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO/N=C(/C[NH+]1CCN(CC1)c1ccccc1F)[*:1]
CO/N=C(/C[NH+]1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 Fc1ccccc1[*:1] CO/N=C(/C[NH+]1CCN(CC1)[*:1])c1ccc(F)cc1
CC(C)(C)c1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3F)CC2)cc1 CC(C)(C)[*:1] O=C(Nc1ccccc1F)C(=O)NC1CCN(CC1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] CC(C)(C)c1ccc(cc1)N1CCC(CC1)NC(=O)C(=O)N[*:1]
COc1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)NC(=O)c1cc([nH]n1)[*:1]
CCOC(OCC)[C@@H](O)[C@H]1CCCC[C@@H]1CC CCO[*:1] CCOC([C@@H](O)[C@H]1CCCC[C@@H]1CC)[*:1]
COCCNC(=O)N[C@H](C)c1c(C)noc1C COC[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)NC[*:1]
COCCNC(=O)N[C@H](C)c1c(C)noc1C COCC[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N[*:1]
CC(=O)NCCNC(=O)NCc1cccc(Oc2ccccc2)c1 CC(=O)NC[*:1] O=C(NCc1cccc(c1)Oc1ccccc1)NC[*:1]
CC(=O)NCCNC(=O)NCc1cccc(Oc2ccccc2)c1 CC(=O)NCC[*:1] O=C(NCc1cccc(c1)Oc1ccccc1)N[*:1]
CC(=O)NCCNC(=O)NCc1cccc(Oc2ccccc2)c1 CC(=O)N[*:1] O=C(NCC[*:1])NCc1cccc(c1)Oc1ccccc1
CC(=O)NCCNC(=O)NCc1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] CC(=O)NCCNC(=O)NCc1cccc(c1)[*:1]
CC(=O)NCCNC(=O)NCc1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)NCCNC(=O)NCc1cccc(c1)O[*:1]
COc1ccc(NC(=O)NCc2ccc(COC(C)C)cc2)cc1 COc1ccc(cc1)[*:1] CC(C)OCc1ccc(cc1)CNC(=O)N[*:1]
COc1ccc(NC(=O)NCc2ccc(COC(C)C)cc2)cc1 CC(C)O[*:1] COc1ccc(cc1)NC(=O)NCc1ccc(cc1)C[*:1]
COc1ccc(NC(=O)NCc2ccc(COC(C)C)cc2)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)NCc1ccc(cc1)CO[*:1]
COc1ccc(NC(=O)NCc2ccc(COC(C)C)cc2)cc1 CC(C)OC[*:1] COc1ccc(cc1)NC(=O)NCc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(N2CC[C@H](C(N)=O)C2)nc1 CCOC(=O)[*:1] NC(=O)[C@H]1CCN(C1)c1ccc(cn1)[*:1]
CCOC(=O)c1ccc(N2CC[C@H](C(N)=O)C2)nc1 NC(=O)[*:1] CCOC(=O)c1ccc(nc1)N1CC[C@H](C1)[*:1]
Cc1csc(C[C@]2(C[NH2+]CC(C)C)C[C@H]3CC[C@@H]2C3)n1 CC(C)C[*:1] Cc1csc(C[C@]2(C[NH2+][*:1])C[C@H]3CC[C@@H]2C3)n1
Cc1csc(C[C@]2(C[NH2+]CC(C)C)C[C@H]3CC[C@@H]2C3)n1 CC(C)[*:1] Cc1csc(C[C@]2(C[NH2+]C[*:1])C[C@H]3CC[C@@H]2C3)n1
Cc1csc(C[C@]2(C[NH2+]CC(C)C)C[C@H]3CC[C@@H]2C3)n1 Cc1csc(n1)[*:1] CC(C)C[NH2+]C[C@]1(C[C@H]2CC[C@@H]1C2)C[*:1]
ClCCCSc1nc2ccccc2o1 ClCCC[*:1] c1ccc2oc(nc2c1)S[*:1]
ClCCCSc1nc2ccccc2o1 ClCC[*:1] c1ccc2oc(nc2c1)SC[*:1]
CCCC[C@@H]1C[C@](C)(C(=O)CNc2cccc[nH+]2)OC1=O CCCC[*:1] C[C@@]1(C[C@H](C(=O)O1)[*:1])C(=O)CNc1cccc[nH+]1
CCCC[C@@H]1C[C@](C)(C(=O)CNc2cccc[nH+]2)OC1=O CCC[*:1] C[C@@]1(C[C@@H](C[*:1])C(=O)O1)C(=O)CNc1cccc[nH+]1
O=C(NCCOc1ccc(Cl)cc1)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 Clc1ccc(cc1)[*:1] O=C(NCCO[*:1])c1ccc(cc1)-c1nc(n[nH]1)C1CC1
O=C(NCCOc1ccc(Cl)cc1)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 Clc1ccc(cc1)O[*:1] O=C(NCC[*:1])c1ccc(cc1)-c1nc(n[nH]1)C1CC1
O=C(NCCOc1ccc(Cl)cc1)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 Clc1ccc(cc1)OC[*:1] O=C(NC[*:1])c1ccc(cc1)-c1nc(n[nH]1)C1CC1
O=C(NCCOc1ccc(Cl)cc1)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 C1CC1c1n[nH]c(n1)[*:1] O=C(NCCOc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
O=C(NCCOc1ccc(Cl)cc1)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 C1CC1[*:1] O=C(NCCOc1ccc(Cl)cc1)c1ccc(cc1)-c1nc(n[nH]1)[*:1]
CC(C)(C)CC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 CC(C)(C)[*:1] CC(C)(C[*:1])NC(=O)CCn1cc(cn1)[N+](=O)[O-]
CC(C)(C)CC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CC(C)(C)CC(C)(C)NC(=O)CCn1cc(cn1)[*:1]
CC(C)(C)CC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 CC(C)(C)C[*:1] CC(C)(NC(=O)CCn1cc(cn1)[N+](=O)[O-])[*:1]
NC(=O)COc1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1 NC(=O)C[*:1] O=C(/C=C/c1ccc(cc1)O[*:1])Nc1cccc(F)c1
NC(=O)COc1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)OC[*:1])Nc1cccc(F)c1
NC(=O)COc1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] NC(=O)COc1ccc(/C=C/C(=O)N[*:1])cc1
NC(=O)COc1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1 NC(=O)CO[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1cccc(F)c1
CNC(=O)c1ccc(OC)c(N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1 Cc1ccc(cc1)[*:1] CNC(=O)c1ccc(OC)c(c1)N[C@H]1CCN(C1=O)[*:1]
CNC(=O)c1ccc(OC)c(N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1 CNC(=O)[*:1] COc1ccc(cc1N[C@H]1CCN(C1=O)c1ccc(C)cc1)[*:1]
Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)Nc3ccccc3F)ccc12 Fc1ccccc1[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)NNC(=O)N[*:1]
CC1(NC(=O)c2ccc(S(C)(=O)=O)cc2)Cc2ccccc2C1 CS(=O)(=O)[*:1] CC1(Cc2ccccc2C1)NC(=O)c1ccc(cc1)[*:1]
CN(C)c1ccc(N)c(OCc2cccc(C#N)c2)c1 CN(C)[*:1] N#Cc1cccc(c1)COc1cc(ccc1N)[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC1(c2noc(C)n2)CCCCC1 Cc1nc(no1)[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC1(CCCCC1)[*:1]
C[C@H](NC(=O)CSC(C)(C)C)c1ccccc1Br CC(C)(C)SC[*:1] C[C@H](NC(=O)[*:1])c1ccccc1Br
C[C@H](NC(=O)CSC(C)(C)C)c1ccccc1Br CC(C)(C)[*:1] C[C@H](NC(=O)CS[*:1])c1ccccc1Br
C[C@H](NC(=O)CSC(C)(C)C)c1ccccc1Br CC(C)(C)S[*:1] C[C@H](NC(=O)C[*:1])c1ccccc1Br
C#CCn1c([C@H]2CC(=O)N(C3CC3)C2)nc2ccccc21 C#CC[*:1] O=C1C[C@@H](CN1C1CC1)c1nc2ccccc2n1[*:1]
C#CCn1c([C@H]2CC(=O)N(C3CC3)C2)nc2ccccc21 C1CC1[*:1] C#CCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
CC(C)OCCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F CC(C)OCC[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[*:1]
CC(C)OCCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F CC(C)O[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CC[*:1]
CC(C)OCCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F CC(C)OC[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C[*:1]
CC(C)OCCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F CC(C)[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CCO[*:1]
COc1cccc2cc(C(=O)OC[C@H]3CO3)oc12 C1O[C@H]1[*:1] COc1cccc2cc(oc12)C(=O)OC[*:1]
COc1cccc2cc(C(=O)OC[C@H]3CO3)oc12 C1O[C@H]1C[*:1] COc1cccc2cc(oc12)C(=O)O[*:1]
Cc1cnccc1CCN[C@H](C)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] Cc1cnccc1CCN[C@H](C)c1cccc(c1)[*:1]
Cc1cnccc1CCN[C@H](C)c1cccc(N2CCOC2=O)c1 Cc1cnccc1C[*:1] C[C@@H](NC[*:1])c1cccc(c1)N1CCOC1=O
Cc1cnccc1CCN[C@H](C)c1cccc(N2CCOC2=O)c1 Cc1cnccc1[*:1] C[C@@H](NCC[*:1])c1cccc(c1)N1CCOC1=O
C[C@@H](c1cccnc1)N1CCN(C(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)C[*:1] C[C@@H](c1cccnc1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](c1cccnc1)N1CCN(C(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)[*:1] C[C@@H](c1cccnc1)N1CCN(CC1)C(=O)C[*:1]
C[C@@H](c1cccnc1)N1CCN(C(=O)Cc2ccc[nH]2)CC1 c1cncc(c1)[*:1] C[C@@H](N1CCN(CC1)C(=O)Cc1ccc[nH]1)[*:1]
Cc1ccc(S(=O)(=O)CC[NH+]2CCC(n3cccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(CC[NH+]1CCC(CC1)n1cccc1)[*:1]
Cc1ccc(S(=O)(=O)CC[NH+]2CCC(n3cccc3)CC2)cc1 c1ccn(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)CC[NH+]1CCC(CC1)[*:1]
C[C@H](CC1CCCC1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 C[C@H](CC1CCCC1)[*:1] O=C(NNC(=O)[*:1])[C@H]1COc2ccccc2O1
C[C@H](CC1CCCC1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 C1CCC(C1)[*:1] C[C@H](C[*:1])C(=O)NNC(=O)[C@H]1COc2ccccc2O1
C[C@H](CC1CCCC1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 C1CCC(C1)C[*:1] C[C@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)[*:1]
O=C(N[C@@H]1CCOC1)c1ccc(S(=O)(=O)N2CCC(CO)CC2)cc1 O=C(N[C@@H]1CCOC1)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC(CO)CC1
CCOc1ccc([C@H](C)NC(=O)/C=C/c2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] CCOc1ccc(cc1)[C@H](C)NC(=O)C=C[*:1]
CCOc1ccc([C@H](C)NC(=O)/C=C/c2cnn(C)c2)cc1 CCO[*:1] C[C@H](NC(=O)/C=C/c1cnn(C)c1)c1ccc(cc1)[*:1]
Nc1ccc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 Fc1ccc(cc1)[*:1] Nc1ccc(cn1)C(=O)N1CCC[C@@H](CO[*:1])C1
Nc1ccc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 Fc1ccc(cc1)O[*:1] Nc1ccc(cn1)C(=O)N1CCC[C@H](C1)C[*:1]
Nc1ccc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 Nc1ccc(cn1)[*:1] O=C(N1CCC[C@@H](COc2ccc(F)cc2)C1)[*:1]
CCO[C@H](C)C(=O)N(C)C[C@H](C)C(=O)NC CCO[C@H](C)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)[*:1]
CCO[C@H](C)C(=O)N(C)C[C@H](C)C(=O)NC CCO[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](C)[*:1]
CCO[C@H](C)C(=O)N(C)C[C@H](C)C(=O)NC CNC(=O)[*:1] CCO[C@H](C)C(=O)N(C)C[C@H](C)[*:1]
Cc1ccccc1NC(=O)CS[C@@H]1N=NC(=O)[C@H]2CC(c3ccco3)=NN12 c1coc(c1)[*:1] Cc1ccccc1NC(=O)CS[C@@H]1N=NC(=O)[C@H]2CC(=NN12)[*:1]
Cc1ccccc1NC(=O)CS[C@@H]1N=NC(=O)[C@H]2CC(c3ccco3)=NN12 Cc1ccccc1[*:1] O=C(CS[C@@H]1N=NC(=O)[C@H]2CC(=NN12)c1ccco1)N[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)Nc1c(F)cc(F)cc1F c1cc(cs1)[*:1] C[C@H](C[*:1])N(C)C(=O)Nc1c(F)cc(F)cc1F
C[C@H](Cc1ccsc1)N(C)C(=O)Nc1c(F)cc(F)cc1F c1cc(cs1)C[*:1] C[C@H](N(C)C(=O)Nc1c(F)cc(F)cc1F)[*:1]
O=C(CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1)N1CCN(Cc2ccccc2)CC1 C1CC1[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)c1cc(n[nH]1)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)c1cc(n[nH]1)C1CC1)N1CCN(CC1)C[*:1]
O=C(CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)c1cc(n[nH]1)C1CC1)N1CCN(CC1)[*:1]
Cc1[nH]c2ccccc2c1C(=O)N1CC[C@@H](C(=O)Nc2ccccn2)C1 c1ccc(nc1)[*:1] Cc1[nH]c2ccccc2c1C(=O)N1CC[C@H](C1)C(=O)N[*:1]
Cn1nc(C(=O)Nc2ccc3ccccc3c2)cc1NC(=O)C1CCCC1 C1CCC(C1)[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)Nc1ccc2ccccc2c1
Cn1nc(C(=O)Nc2ccc3ccccc3c2)cc1NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 Cn1nc(cc1[*:1])C(=O)Nc1ccc2ccccc2c1
CS(=O)(=O)NC1CCN(C(=O)c2ccccc2[C@@H]2CC[NH2+]C2)CC1 CS(=O)(=O)N[*:1] O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CCC(CC1)[*:1]
C[C@@H](NC(=O)NCC(=O)Nc1ccccc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)NCC(=O)Nc1ccccc1)[*:1]
C[C@@H](NC(=O)NCC(=O)Nc1ccccc1)c1ccc(Cl)s1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NCC(=O)N[*:1])c1ccc(Cl)s1
Cc1cc(C)c(S(=O)(=O)N2CCOc3ccc(C(=O)NCc4ccccc4F)cc3C2)c(C)c1 O=C(NCc1ccccc1F)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCOc2ccc(cc2C1)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCOc3ccc(C(=O)NCc4ccccc4F)cc3C2)c(C)c1 Fc1ccccc1C[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCOc2ccc(cc2C1)C(=O)N[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCOc3ccc(C(=O)NCc4ccccc4F)cc3C2)c(C)c1 Fc1ccccc1[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCOc2ccc(cc2C1)C(=O)NC[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCOc3ccc(C(=O)NCc4ccccc4F)cc3C2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(NCc1ccccc1F)c1ccc2OCCN(Cc2c1)S(=O)(=O)[*:1]
C[C@H](Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@H](Sc1nc2nn(-c3ccccc3)c(=O)c-2c2CCCCCn12)[*:1]
C[C@H](Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)C(=O)NC1CC1 c1ccc(cc1)[*:1] C[C@H](Sc1nc2nn(c(=O)c-2c2CCCCCn12)[*:1])C(=O)NC1CC1
C[C@H](Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)C(=O)NC1CC1 C1CC1[*:1] C[C@H](Sc1nc2nn(-c3ccccc3)c(=O)c-2c2CCCCCn12)C(=O)N[*:1]
CC[C@H](NC(=O)C1(c2cccc(C)c2)CCCC1)C(=O)OC Cc1cccc(c1)[*:1] CC[C@H](NC(=O)C1(CCCC1)[*:1])C(=O)OC
CC[C@H](NC(=O)C1(c2cccc(C)c2)CCCC1)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)C1(CCCC1)c1cccc(C)c1)[*:1]
CC[C@H](NC(=O)C1(c2cccc(C)c2)CCCC1)C(=O)OC CC[C@H](C(=O)OC)[*:1] Cc1cccc(c1)C1(CCCC1)C(=O)N[*:1]
Cc1cc(NCc2nsc(N(C)C)n2)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])NCc1nsc(n1)N(C)C
Cc1cc(NCc2nsc(N(C)C)n2)ccc1-n1cnnn1 CN(C)[*:1] Cc1cc(ccc1-n1cnnn1)NCc1nsc(n1)[*:1]
O=C(CSc1nncs1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 c1nnc(S[*:1])s1 O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCC1
O=C(CSc1nncs1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 c1nnc(s1)[*:1] O=C(CS[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCC1
O=C(CSc1nncs1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 c1nnc(SC[*:1])s1 O=C(Nc1cccc(c1)S(=O)(=O)N1CCCCC1)[*:1]
C#CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc(C)cc1 C#CC[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)O[C@H](C)[*:1]
C#CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl COC[*:1] C#CCNC(=O)c1cc(ccc1Cl)S(=O)(=O)NC[*:1]
C#CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl COCC[*:1] C#CCNC(=O)c1cc(ccc1Cl)S(=O)(=O)N[*:1]
C#CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl C#CC[*:1] COCCNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
C#CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl C#CCNC(=O)[*:1] COCCNS(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CN1c2ccccc2S[C@H]2C=CC(C(=O)[O-])=C[C@@H]21 O=C([O-])[*:1] CN1c2ccccc2S[C@H]2C=CC(=C[C@@H]21)[*:1]
CCCN1C(=O)N=C(N)[C@H]1c1cccc(OC(C)C)c1 CCC[*:1] CC(C)Oc1cccc(c1)[C@@H]1C(N)=NC(=O)N1[*:1]
CCCN1C(=O)N=C(N)[C@H]1c1cccc(OC(C)C)c1 CC(C)O[*:1] CCCN1C(=O)N=C(N)[C@H]1c1cccc(c1)[*:1]
CCCN1C(=O)N=C(N)[C@H]1c1cccc(OC(C)C)c1 CC(C)[*:1] CCCN1C(=O)N=C(N)[C@H]1c1cccc(c1)O[*:1]
COc1ccc2c([O-])c(S(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1 Cc1ccc(cc1)[*:1] COc1ccc2c([O-])c(c(=O)oc2c1)S(=O)(=O)[*:1]
COC(=O)c1cccc(CCNC(=O)Nc2cc(F)ccc2C)c1 Cc1ccc(F)cc1[*:1] COC(=O)c1cccc(c1)CCNC(=O)N[*:1]
COC(=O)c1cccc(CCNC(=O)Nc2cc(F)ccc2C)c1 COC(=O)[*:1] Cc1ccc(F)cc1NC(=O)NCCc1cccc(c1)[*:1]
COc1cccc(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)c1F c1ccc(cc1)[*:1] COc1cccc(C(=O)N(C)[C@H](C(F)(F)F)[*:1])c1F
COc1cccc(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)c1F FC(F)(F)[*:1] COc1cccc(C(=O)N(C)[C@H](c2ccccc2)[*:1])c1F
CC(C)n1cc(NC(=O)N(C)[C@@H](C)c2ccccc2F)cn1 Fc1ccccc1[*:1] CC(C)n1cc(cn1)NC(=O)N(C)[C@@H](C)[*:1]
CC(C)n1cc(NC(=O)N(C)[C@@H](C)c2ccccc2F)cn1 CC(C)[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cnn(c1)[*:1]
Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)COC3)o1 Cc1ccc(o1)[*:1] O=C(C=C[*:1])Nc1ccc2COCc2c1
CN(CC(=O)Nc1cccc(Br)c1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)Nc1cccc(Br)c1)C(=O)[*:1]
CN(CC(=O)Nc1cccc(Br)c1)C(=O)c1ccccc1 Brc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccccc1
COC[C@H](O)CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 COC[*:1] CN(C[C@@H](O)[*:1])C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1
COC[C@H](O)CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 COC[C@H](O)C[*:1] CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)[*:1]
COC[C@H](O)CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 COC[C@H](O)[*:1] CN(C[*:1])C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1
Cc1ccc(OCCOc2ccccc2)c(C(=O)[O-])n1 c1ccc(cc1)[*:1] Cc1ccc(OCCO[*:1])c(n1)C(=O)[O-]
Cc1ccc(OCCOc2ccccc2)c(C(=O)[O-])n1 O=C([O-])[*:1] Cc1ccc(OCCOc2ccccc2)c(n1)[*:1]
O=C(c1ccn(-c2ccccc2)n1)N1CCc2ccc(O)cc2C1 c1ccc(cc1)[*:1] O=C(c1ccn(n1)[*:1])N1CCc2ccc(O)cc2C1
C[C@@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H](O)C1 C[C@@H](O)C[*:1] CC(C)(CNC(=O)N1CCC[C@@H](O)C1)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H](O)C1 C[C@@H](O)[*:1] CC(C)(CNC(=O)N1CCC[C@@H](O)C1)C[*:1]
CCCc1noc(CNc2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] CCCc1noc(CNc2ccccc2[*:1])n1
CCCc1noc(CNc2ccccc2C(F)(F)F)n1 CCC[*:1] FC(F)(F)c1ccccc1NCc1nc(no1)[*:1]
Cc1ccc2cccc(NC(=O)C(=O)NCc3ncc(C)s3)c2n1 Cc1cnc(s1)[*:1] Cc1ccc2cccc(NC(=O)C(=O)NC[*:1])c2n1
Cc1ccc2cccc(NC(=O)C(=O)NCc3ncc(C)s3)c2n1 Cc1cnc(C[*:1])s1 Cc1ccc2cccc(NC(=O)C(=O)N[*:1])c2n1
COC[C@H](NC(=O)NCCc1nnc2n1CCC2)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)NCCc1nnc2CCCn21)[*:1]
COC[C@H](NC(=O)NCCc1nnc2n1CCC2)c1ccc(F)c(F)c1 C1Cc2nnc(n2C1)[*:1] COC[C@H](NC(=O)NCC[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)NCCc1nnc2n1CCC2)c1ccc(F)c(F)c1 COC[*:1] O=C(NCCc1nnc2CCCn21)N[C@H](c1ccc(F)c(F)c1)[*:1]
CC1(C)CCC[C@H]1NC(=O)NNC(=O)CCSc1ccc(F)cc1 Fc1ccc(cc1)S[*:1] CC1(C)CCC[C@H]1NC(=O)NNC(=O)CC[*:1]
CC1(C)CCC[C@H]1NC(=O)NNC(=O)CCSc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC1(C)CCC[C@H]1NC(=O)NNC(=O)CCS[*:1]
CC[C@]1(C(=O)[O-])CCCN(C(=O)C[C@H](C)COC)C1 COC[C@@H](C)C[*:1] CC[C@@]1(CCCN(C1)C(=O)[*:1])C(=O)[O-]
CC[C@]1(C(=O)[O-])CCCN(C(=O)C[C@H](C)COC)C1 O=C([O-])[*:1] CC[C@@]1(CCCN(C1)C(=O)C[C@H](C)COC)[*:1]
CC[C@]1(C(=O)[O-])CCCN(C(=O)C[C@H](C)COC)C1 COC[C@@H](C)[*:1] CC[C@@]1(CCCN(C1)C(=O)C[*:1])C(=O)[O-]
CC[C@]1(C(=O)[O-])CCCN(C(=O)C[C@H](C)COC)C1 COC[*:1] CC[C@@]1(CCCN(C1)C(=O)C[C@H](C)[*:1])C(=O)[O-]
c1ccc(CN2CCO[C@@H](CNc3ccc4nnnn4n3)C2)cc1 c1ccc(cc1)[*:1] c1cc2nnnn2nc1NC[C@H]1CN(CCO1)C[*:1]
c1ccc(CN2CCO[C@@H](CNc3ccc4nnnn4n3)C2)cc1 c1ccc(cc1)C[*:1] c1cc2nnnn2nc1NC[C@H]1CN(CCO1)[*:1]
CSCC[C@H](C)NC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 CSC[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
CSCC[C@H](C)NC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 CSCC[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)N[C@@H](C)[*:1]
CSCC[C@H](C)NC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 Cc1cc(no1)[*:1] CSCC[C@H](C)NC(=O)N1CCC(CC1)C(=O)N[*:1]
CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3cc(-n4nc(C)cc4C)ncn3)C2)CC1 Cc1cc(C)n(n1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)[C@H]1CCCN(C1)c1cc(ncn1)[*:1]
CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3cc(-n4nc(C)cc4C)ncn3)C2)CC1 CCOC(=O)[*:1] Cc1cc(C)n(n1)-c1cc(ncn1)N1CCC[C@@H](C1)C(=O)N1CCC(CC1)[*:1]
CS(=O)(=O)CCC[NH2+][C@@H]1CCc2c(Br)cccc21 CS(=O)(=O)CC[*:1] Brc1cccc2c1CC[C@H]2[NH2+]C[*:1]
CS(=O)(=O)CCC[NH2+][C@@H]1CCc2c(Br)cccc21 CS(=O)(=O)[*:1] Brc1cccc2c1CC[C@H]2[NH2+]CCC[*:1]
CS(=O)(=O)CCC[NH2+][C@@H]1CCc2c(Br)cccc21 CS(=O)(=O)C[*:1] Brc1cccc2c1CC[C@H]2[NH2+]CC[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 CCCC[*:1] C[C@H](NC(=O)N[C@H]1CCC[C@@H]1[*:1])c1ccc(cc1)S(C)(=O)=O
CCCC[C@H]1CCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 CCC[*:1] C[C@H](NC(=O)N[C@H]1CCC[C@@H]1C[*:1])c1ccc(cc1)S(C)(=O)=O
CCCC[C@H]1CCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCCC[C@H]1CCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 CC(C)=CC(=O)N[*:1] O=C(Nc1ccc(Cl)nc1)c1ccc(cc1)C[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 CC(C)=C[*:1] O=C(Nc1ccc(Cl)nc1)c1ccc(cc1)CNC(=O)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 CC(C)=CC(=O)NC[*:1] O=C(Nc1ccc(Cl)nc1)c1ccc(cc1)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCCN2CCOCC2)c(Cl)n1 C1CN(CCO1)[*:1] Cc1ccc(NC(=O)C(=O)NCC[*:1])c(Cl)n1
Cc1ccc(NC(=O)C(=O)NCCN2CCOCC2)c(Cl)n1 C1CN(CCO1)C[*:1] Cc1ccc(NC(=O)C(=O)NC[*:1])c(Cl)n1
Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)c1 Cc1cccc(c1)[*:1] O=C(COc1ccccc1-c1nc(no1)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)-c1noc(n1)-c1ccccc1OCC(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cccc(c1)-c1noc(n1)-c1ccccc1OCC(=O)N[*:1]
CCCCC1CCC(C(=O)Nc2cccc3ccc(C)nc23)CC1 CCC[*:1] Cc1ccc2cccc(NC(=O)C3CCC(CC3)C[*:1])c2n1
CCCCC1CCC(C(=O)Nc2cccc3ccc(C)nc23)CC1 CCCC[*:1] Cc1ccc2cccc(NC(=O)C3CCC(CC3)[*:1])c2n1
FC(F)(F)c1ccccc1NC[C@@H]1CN2CCC[C@@H]2CO1 FC(F)(F)[*:1] c1ccc(c(c1)NC[C@@H]1CN2CCC[C@@H]2CO1)[*:1]
COc1nc(C)cc(C)c1CNC(=O)Cn1cccc(C(F)(F)F)c1=O FC(F)(F)[*:1] COc1nc(C)cc(C)c1CNC(=O)Cn1cccc(c1=O)[*:1]
COC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)N2CCOCC2)CC1 c1ccc(cc1)[*:1] COC(=O)[C@@H](N1CCN(CC1)C(=O)N1CCOCC1)[*:1]
COC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)N2CCOCC2)CC1 COC(=O)[*:1] O=C(N1CCOCC1)N1CCN(CC1)[C@H](c1ccccc1)[*:1]
Cc1[nH]ncc1CCCNC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1[nH]ncc1CCCNC(=O)N1C[C@@H](C)C[C@H]1[*:1]
Cc1[nH]ncc1CCCNC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 Cc1[nH]ncc1C[*:1] C[C@H]1C[C@H](c2cccc(F)c2)N(C1)C(=O)NCC[*:1]
Cc1[nH]ncc1CCCNC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 Cc1[nH]ncc1CC[*:1] C[C@H]1C[C@H](c2cccc(F)c2)N(C1)C(=O)NC[*:1]
Cc1[nH]ncc1CCCNC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 Cc1[nH]ncc1[*:1] C[C@H]1C[C@H](c2cccc(F)c2)N(C1)C(=O)NCCC[*:1]
CC(=O)c1c(C)nc(C)nc1SCc1csc(C(C)C)n1 CC(C)[*:1] CC(=O)c1c(C)nc(C)nc1SCc1csc(n1)[*:1]
CC(=O)c1c(C)nc(C)nc1SCc1csc(C(C)C)n1 CC(=O)[*:1] Cc1nc(C)c(c(n1)SCc1csc(n1)C(C)C)[*:1]
CCOc1cc([C@H]2C(C(C)=O)=C(C)Nc3nnnn32)cc(Br)c1OCc1cccc(C)c1 Cc1cccc(c1)C[*:1] CCOc1cc(cc(Br)c1O[*:1])[C@H]1C(C(C)=O)=C(C)Nc2nnnn21
CCOc1cc([C@H]2C(C(C)=O)=C(C)Nc3nnnn32)cc(Br)c1OCc1cccc(C)c1 Cc1cccc(c1)CO[*:1] CCOc1cc(cc(Br)c1[*:1])[C@H]1C(C(C)=O)=C(C)Nc2nnnn21
CCOc1cc([C@H]2C(C(C)=O)=C(C)Nc3nnnn32)cc(Br)c1OCc1cccc(C)c1 CC(=O)[*:1] CCOc1cc(cc(Br)c1OCc1cccc(C)c1)[C@H]1C(=C(C)Nc2nnnn21)[*:1]
CCOc1cc([C@H]2C(C(C)=O)=C(C)Nc3nnnn32)cc(Br)c1OCc1cccc(C)c1 CCO[*:1] CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)c(OCc2cccc(C)c2)c(c1)[*:1]
CCOc1cc([C@H]2C(C(C)=O)=C(C)Nc3nnnn32)cc(Br)c1OCc1cccc(C)c1 Cc1cccc(c1)[*:1] CCOc1cc(cc(Br)c1OC[*:1])[C@H]1C(C(C)=O)=C(C)Nc2nnnn21
CC(C)CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 c1cc2OCOc2cc1[*:1] CC(C)CNC(=O)COC(=O)c1c2CCC(=C[*:1])c2nc2ccccc12
CC(C)CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 CC(C)CNC(=O)C[*:1] O=C(O[*:1])c1c2CC/C(=C/c3ccc4OCOc4c3)c2nc2ccccc12
CC(C)CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 CC(C)CNC(=O)COC(=O)[*:1] C(=C1/CCc2c1nc1ccccc1c2[*:1])\c1ccc2OCOc2c1
CC(C)CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 CC(C)CNC(=O)[*:1] O=C(OC[*:1])c1c2CC/C(=C/c3ccc4OCOc4c3)c2nc2ccccc12
CC(C)CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 CC(C)[*:1] O=C(COC(=O)c1c2CC/C(=C/c3ccc4OCOc4c3)c2nc2ccccc12)NC[*:1]
CC(C)CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 CC(C)C[*:1] O=C(COC(=O)c1c2CC/C(=C/c3ccc4OCOc4c3)c2nc2ccccc12)N[*:1]
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 Clc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1ccc2OCOc2c1
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 CC(C)[*:1] O=C(N[C@H](C(=O)Nc1ccc2OCOc2c1)[*:1])c1ccccc1Cl
N/C(=N\c1ccccc1)NCC#Cc1ccccc1 c1ccc(cc1)[*:1] NC(=N[*:1])NCC#Cc1ccccc1
N/C(=N\c1ccccc1)NCC#Cc1ccccc1 c1ccc(cc1)[*:1] N/C(=N\c1ccccc1)NCC#C[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1Cl)n2Cc1ccccc1F Clc1ccccc1/C=N/N[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2Cc1ccccc1F)[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1Cl)n2Cc1ccccc1F Fc1ccccc1[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1Cl)n2C[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1Cl)n2Cc1ccccc1F Fc1ccccc1C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1Cl)n2[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1Cl)n2Cc1ccccc1F Clc1ccccc1[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NN=C[*:1])n2Cc1ccccc1F
Cc1ccc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CN1CCN(CC1)[*:1])Nc1ccc(Br)cc1
Cc1ccc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)c(C)c1 Brc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)N1CCN(CC1)CC(=O)N[*:1]
C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OC CC(=O)c1ccc(cc1)[*:1] C=CCOc1ccc(cc1OC)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OC C=CCOc1ccc(cc1OC)[*:1] CC(=O)c1ccc(cc1)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1[*:1]
C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OC CC(=O)[*:1] C=CCOc1ccc(cc1OC)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1ccc(cc1)[*:1]
C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1ccc(cc1)C(C)=O
C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1ccc(cc1)C(C)=O
O=S1(=O)CCCN1CC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 O=S1(=O)CCCN1[*:1] Clc1ccc2CCC[C@@H]([NH2+]CC[*:1])c2c1
COc1ccc([C@H](O)CNC(=O)NCCc2csc(C)n2)cc1 Cc1nc(cs1)C[*:1] COc1ccc(cc1)[C@H](O)CNC(=O)NC[*:1]
COc1ccc([C@H](O)CNC(=O)NCCc2csc(C)n2)cc1 Cc1nc(cs1)[*:1] COc1ccc(cc1)[C@H](O)CNC(=O)NCC[*:1]
Cc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)[*:1]
Cc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)S(=O)(=O)NC[C@H](N1CCc2ccccc2C1)[*:1]
C#CCN(CC#C)C/C([O-])=N/c1ccc(Cl)cc1C(F)(F)F C#CCN(CC#C)[*:1] [O-]/C(C[*:1])=N\c1ccc(Cl)cc1C(F)(F)F
C#CCN(CC#C)C/C([O-])=N/c1ccc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] C#CCN(CC#C)C/C([O-])=N/c1ccc(Cl)cc1[*:1]
C#CCN(CC#C)C/C([O-])=N/c1ccc(Cl)cc1C(F)(F)F C#CC[*:1] C#CCN(C/C([O-])=N/c1ccc(Cl)cc1C(F)(F)F)[*:1]
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC Cc1c(Cl)cccc1[*:1] COc1cc(Br)c(/C=C(\C#N)C(=O)N[*:1])cc1OC
CC(C)c1nnsc1CN1C[C@H](Cc2ccccc2)CC1=O c1ccc(cc1)C[*:1] CC(C)c1nnsc1CN1C[C@H](CC1=O)[*:1]
CC(C)c1nnsc1CN1C[C@H](Cc2ccccc2)CC1=O c1ccc(cc1)[*:1] CC(C)c1nnsc1CN1C[C@@H](CC1=O)C[*:1]
CC(C)c1nnsc1CN1C[C@H](Cc2ccccc2)CC1=O CC(C)[*:1] O=C1C[C@@H](Cc2ccccc2)CN1Cc1snnc1[*:1]
Brc1ccccc1CN1CCC([NH2+]C[C@H]2CCCO2)CC1 Brc1ccccc1[*:1] C1CO[C@H](C1)C[NH2+]C1CCN(CC1)C[*:1]
Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)C[C@H](O)[*:1])C[NH+](C)C
N#Cc1cccc(CSc2ccnc(C(=O)[O-])c2)c1 O=C([O-])[*:1] N#Cc1cccc(c1)CSc1ccnc(c1)[*:1]
C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccs1 c1csc(c1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)[*:1]
COC(=O)Cc1nnc2cc(C)ncn12 COC(=O)C[*:1] Cc1cc2nnc(n2cn1)[*:1]
COC(=O)Cc1nnc2cc(C)ncn12 COC(=O)[*:1] Cc1cc2nnc(C[*:1])n2cn1
O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](O)[C@H](O)C1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])N1C[C@H](O)[C@H](O)C1
O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccc(cc1)-c1cnc(o1)C1CC1)[*:1]
O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cccnc1 C1CC1[*:1] O=C(Nc1ccc(cc1)-c1cnc(o1)[*:1])c1cccnc1
Cc1ccc2nc(CNC(=O)c3cc(COc4ccccc4)n[nH]3)[nH]c2c1C c1ccc(cc1)[*:1] Cc1ccc2nc(CNC(=O)c3cc(CO[*:1])n[nH]3)[nH]c2c1C
Cc1ccc2nc(CNC(=O)c3cc(COc4ccccc4)n[nH]3)[nH]c2c1C c1ccc(cc1)OC[*:1] Cc1ccc2nc(CNC(=O)c3cc(n[nH]3)[*:1])[nH]c2c1C
Cc1ccc2nc(CNC(=O)c3cc(COc4ccccc4)n[nH]3)[nH]c2c1C c1ccc(cc1)O[*:1] Cc1ccc2nc(CNC(=O)c3cc(C[*:1])n[nH]3)[nH]c2c1C
C[C@@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)[*:1]
Cc1c([C@@H](C)NC(=O)N[C@H](CCCO)c2ccccc2)oc2ccccc12 c1ccc(cc1)[*:1] Cc1c(oc2ccccc12)[C@@H](C)NC(=O)N[C@H](CCCO)[*:1]
Cc1c([C@@H](C)NC(=O)N[C@H](CCCO)c2ccccc2)oc2ccccc12 OCC[*:1] Cc1c(oc2ccccc12)[C@@H](C)NC(=O)N[C@H](C[*:1])c1ccccc1
Cc1c([C@@H](C)NC(=O)N[C@H](CCCO)c2ccccc2)oc2ccccc12 OCCC[*:1] Cc1c(oc2ccccc12)[C@@H](C)NC(=O)N[C@H](c1ccccc1)[*:1]
COc1ccccc1S(=O)(=O)NNC(=O)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] COc1ccccc1S(=O)(=O)NNC(=O)[*:1]
Cc1cc(CC(=O)NC2(C(=O)NCC3CC3)CCCC2)n[nH]1 Cc1cc(n[nH]1)[*:1] O=C(C[*:1])NC1(CCCC1)C(=O)NCC1CC1
Cc1cc(CC(=O)NC2(C(=O)NCC3CC3)CCCC2)n[nH]1 Cc1cc(C[*:1])n[nH]1 O=C(NCC1CC1)C1(CCCC1)NC(=O)[*:1]
Cc1cc(CC(=O)NC2(C(=O)NCC3CC3)CCCC2)n[nH]1 C1CC1[*:1] Cc1cc(CC(=O)NC2(CCCC2)C(=O)NC[*:1])n[nH]1
Cc1cc(CC(=O)NC2(C(=O)NCC3CC3)CCCC2)n[nH]1 C1CC1C[*:1] Cc1cc(CC(=O)NC2(CCCC2)C(=O)N[*:1])n[nH]1
Cc1cc(CC(=O)NC2(C(=O)NCC3CC3)CCCC2)n[nH]1 O=C(NCC1CC1)[*:1] Cc1cc(CC(=O)NC2(CCCC2)[*:1])n[nH]1
Cc1cc(C(=O)N2CCC[C@H]2CO)sc1C#CCO OCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N1CCC[C@H]1CO
CC[C@@](C)([NH3+])c1nc2cc(C)ccc2n1C1CC1 C1CC1[*:1] CC[C@@](C)([NH3+])c1nc2cc(C)ccc2n1[*:1]
COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1Cl COc1ccc(cc1Cl)[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)N1CCC[C@@H]1C(=O)N[*:1]
CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1 CC(C)c1ccccc1[*:1] O=c1ccc2cc(ccc2o1)S(=O)(=O)NCCO[*:1]
CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1 CC(C)[*:1] O=c1ccc2cc(ccc2o1)S(=O)(=O)NCCOc1ccccc1[*:1]
CCc1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1 c1ccc(cc1)C[*:1] CCc1ccc(cc1)NC(=O)CSc1nc(C)c(c(=O)[nH]1)[*:1]
CCc1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1 CCc1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1Cc1ccccc1)SCC(=O)N[*:1]
CCc1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)CSc1nc(C)c(C[*:1])c(=O)[nH]1
O=C(c1cnccn1)N1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 Fc1cc(ccc1Cl)[*:1] O=C(c1cnccn1)N1CCC(CC1)[NH2+]C[*:1]
O=C(c1cnccn1)N1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 c1cnc(cn1)[*:1] O=C(N1CCC(CC1)[NH2+]Cc1ccc(Cl)c(F)c1)[*:1]
Cc1cc(SCC(=O)Nc2ccnn2C2CCCC2)nc2ccccc12 C1CCC(C1)[*:1] Cc1cc(nc2ccccc12)SCC(=O)Nc1ccnn1[*:1]
COc1ccc(-c2ccc(C=O)o2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])-c1ccc(C=O)o1
CCNc1cc(C(=O)N2CCO[C@@H](C#N)C2)ccn1 CCN[*:1] N#C[C@H]1CN(CCO1)C(=O)c1ccnc(c1)[*:1]
O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@@H](n2cccn2)C1 c1cnn(c1)[*:1] O=C(c1ccc(cc1)-n1ccnc1)N1CCC[C@@H](C1)[*:1]
O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@@H](n2cccn2)C1 c1cn(cn1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H](C1)n1cccn1
C[C@@H](Cn1cccn1)OC(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 c1cnn(c1)C[*:1] C[C@@H](OC(=O)[C@@H]1CC(=O)N(C1)C1CCCCCC1)[*:1]
C[C@@H](Cn1cccn1)OC(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 c1cnn(c1)[*:1] C[C@@H](C[*:1])OC(=O)[C@@H]1CC(=O)N(C1)C1CCCCCC1
C[C@@H](Cn1cccn1)OC(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 C1CCCC(CC1)[*:1] C[C@@H](Cn1cccn1)OC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](Cn1cccn1)OC(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 C[C@@H](Cn1cccn1)[*:1] O=C(O[*:1])[C@@H]1CC(=O)N(C1)C1CCCCCC1
CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2[*:1])s1
CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])s1 CCc1nnc(s1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]
CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])s1 O=[N+]([O-])c1ccccc1[*:1] CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)N[*:1])s1
COc1ccc(C(=O)N[C@@H](C)CC(C)C)c(O)c1 CC(C)C[C@H](C)[*:1] COc1ccc(C(=O)N[*:1])c(O)c1
COc1ccc(C(=O)N[C@@H](C)CC(C)C)c(O)c1 CC(C)[*:1] COc1ccc(C(=O)N[C@@H](C)C[*:1])c(O)c1
COc1ccc(C(=O)N[C@@H](C)CC(C)C)c(O)c1 CC(C)C[*:1] COc1ccc(C(=O)N[C@@H](C)[*:1])c(O)c1
CCC[C@H](C)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl CCC[*:1] C[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)[*:1]
CCC[C@H](C)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl CCC[C@H](C)[*:1] O[C@@H](C[NH2+][*:1])c1c(Cl)cccc1Cl
c1nncn1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 c1nncn1[*:1] C(CC[*:1])C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCC(C)C)o2)cc1 CC(C)CCNC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)[*:1]
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCC(C)C)o2)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCC(C)C)o2)cc1 CC(C)CC[*:1] Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCC(C)C)o2)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)NCC[*:1]
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCC(C)C)o2)cc1 Cc1ccc(cc1)[*:1] CC(C)CCNC(=O)c1ccc(CS(=O)(=O)[*:1])o1
CCc1nnc(NC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)s1 CCc1nnc(s1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)C(F)(F)F
CCc1nnc(NC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)s1 FC(F)(F)[*:1] CCc1nnc(NC(=O)N[C@@H](C)c2ccc(cc2)[*:1])s1
Cc1cccc(-c2nnc(-c3ccc(C(=O)NCc4cccnc4)cc3)o2)c1 Cc1cccc(c1)[*:1] O=C(NCc1cccnc1)c1ccc(cc1)-c1nnc(o1)[*:1]
Cc1cccc(-c2nnc(-c3ccc(C(=O)NCc4cccnc4)cc3)o2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)-c1nnc(o1)-c1ccc(cc1)C(=O)NC[*:1]
Cc1cccc(-c2nnc(-c3ccc(C(=O)NCc4cccnc4)cc3)o2)c1 c1cncc(c1)C[*:1] Cc1cccc(c1)-c1nnc(o1)-c1ccc(cc1)C(=O)N[*:1]
COc1ccc(C)cc1[C@@H]([NH2+]C(C)C)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] COc1ccc(C)cc1[C@@H]([NH2+]C(C)C)[*:1]
COc1ccc(C)cc1[C@@H]([NH2+]C(C)C)c1ccc(F)cn1 CC(C)[*:1] COc1ccc(C)cc1[C@@H]([NH2+][*:1])c1ccc(F)cn1
C[C@@H](CCCO)NC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 C[C@@H](CCCO)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)-n1ccnc1
C[C@@H](CCCO)NC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](CCCO)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
C[C@@H](CCCO)NC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 OCC[*:1] C[C@@H](C[*:1])NC(=O)N[C@H](C)c1ccc(cc1)-n1ccnc1
C[C@@H](CCCO)NC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 OCCC[*:1] C[C@@H](NC(=O)N[C@H](C)c1ccc(cc1)-n1ccnc1)[*:1]
CS[C@@H](C)C(=O)NC(C)(C)c1ccc(F)cc1Cl CS[C@@H](C)[*:1] CC(C)(NC(=O)[*:1])c1ccc(F)cc1Cl
C[C@@](O)(CNC(=O)c1ccccc1Cl)CSc1ccccc1 c1ccc(cc1)S[*:1] C[C@@](O)(CNC(=O)c1ccccc1Cl)C[*:1]
C[C@@](O)(CNC(=O)c1ccccc1Cl)CSc1ccccc1 Clc1ccccc1[*:1] C[C@@](O)(CNC(=O)[*:1])CSc1ccccc1
C[C@@](O)(CNC(=O)c1ccccc1Cl)CSc1ccccc1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)c1ccccc1Cl)CS[*:1]
N#Cc1ccc(Cl)c([N-]S(=O)(=O)CCC2CC2)c1 C1CC1C[*:1] N#Cc1ccc(Cl)c(c1)[N-]S(=O)(=O)C[*:1]
N#Cc1ccc(Cl)c([N-]S(=O)(=O)CCC2CC2)c1 C1CC1CC[*:1] N#Cc1ccc(Cl)c(c1)[N-]S(=O)(=O)[*:1]
N#Cc1ccc(Cl)c([N-]S(=O)(=O)CCC2CC2)c1 C1CC1[*:1] N#Cc1ccc(Cl)c(c1)[N-]S(=O)(=O)CC[*:1]
O=C(CSc1nnc2[nH]c(=O)c(-c3ccc(Cl)cc3)nn12)Nc1cccc(F)c1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc2[nH]c(=O)c(nn12)[*:1])Nc1cccc(F)c1
O=C(CSc1nnc2[nH]c(=O)c(-c3ccc(Cl)cc3)nn12)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CSc1nnc2[nH]c(=O)c(nn12)-c1ccc(Cl)cc1)N[*:1]
C[NH+]1CCN(c2ncnc(NCCCN3CCOCC3)c2N)CC1 C1CN(CCO1)[*:1] C[NH+]1CCN(CC1)c1ncnc(NCCC[*:1])c1N
C[NH+]1CCN(c2ncnc(NCCCN3CCOCC3)c2N)CC1 C1CN(CCO1)CC[*:1] C[NH+]1CCN(CC1)c1ncnc(NC[*:1])c1N
C[NH+]1CCN(c2ncnc(NCCCN3CCOCC3)c2N)CC1 C1CN(CCO1)C[*:1] C[NH+]1CCN(CC1)c1ncnc(NCC[*:1])c1N
CN1CCO[C@@H](CNC(=O)c2cccn2CC(=O)[O-])C1 O=C([O-])C[*:1] CN1CCO[C@@H](CNC(=O)c2cccn2[*:1])C1
CN1CCO[C@@H](CNC(=O)c2cccn2CC(=O)[O-])C1 O=C([O-])[*:1] CN1CCO[C@@H](CNC(=O)c2cccn2C[*:1])C1
COCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(C)cc1)C(=O)Nc1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)NC(=O)N(CC(=O)N1CCn2cccc2[C@H]1c1ccc(C)cc1)C[*:1]
COCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(C)cc1)C(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCCN(CC(=O)N1CCn2cccc2[C@@H]1[*:1])C(=O)Nc1ccc(C)cc1
COCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(C)cc1)C(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(C)cc1)C(=O)N[*:1]
COCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(C)cc1)C(=O)Nc1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)NC(=O)N(CC(=O)N1CCn2cccc2[C@H]1c1ccc(C)cc1)[*:1]
O=C([C@H]1CCCO1)N1CCC[C@@H]1c1cc[nH]n1 C1CO[C@H](C1)[*:1] O=C(N1CCC[C@@H]1c1cc[nH]n1)[*:1]
O=C([C@H]1CCCO1)N1CCC[C@@H]1c1cc[nH]n1 c1cc(n[nH]1)[*:1] O=C([C@H]1CCCO1)N1CCC[C@H]1[*:1]
Cc1ccc(NC(=O)C[NH+](CC(=O)[O-])C(C)(C)C)cc1F O=C([O-])[*:1] Cc1ccc(cc1F)NC(=O)C[NH+](C[*:1])C(C)(C)C
Cc1ccc(NC(=O)C[NH+](CC(=O)[O-])C(C)(C)C)cc1F CC(C)(C)[*:1] Cc1ccc(cc1F)NC(=O)C[NH+](CC(=O)[O-])[*:1]
CCOc1ccc(NC(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1 CCOc1ccc(cc1)[*:1] C[C@@H](NC(=O)N[*:1])c1noc(Cc2ccccc2)n1
CCOc1ccc(NC(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)NC(=O)N[C@H](C)c1noc(n1)[*:1]
CCOc1ccc(NC(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)N[C@H](C)c1noc(C[*:1])n1
CCOc1ccc(NC(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1 CCO[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1noc(Cc2ccccc2)n1
C#CCOc1ccc(F)cc1NCc1noc(-c2ccc(OC)cc2)n1 COc1ccc(cc1)[*:1] C#CCOc1ccc(F)cc1NCc1noc(n1)[*:1]
C#CCOc1ccc(F)cc1NCc1noc(-c2ccc(OC)cc2)n1 C#CCO[*:1] COc1ccc(cc1)-c1nc(CNc2cc(F)ccc2[*:1])no1
C#CCOc1ccc(F)cc1NCc1noc(-c2ccc(OC)cc2)n1 C#CC[*:1] COc1ccc(cc1)-c1nc(CNc2cc(F)ccc2O[*:1])no1
Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1F c1csc(c1)[*:1] Cc1ccc(cc1F)CNC(=O)[C@@H]1CCCN1C(=O)[*:1]
Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1F Cc1ccc(cc1F)[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)c1cccs1
Cc1ccn2/c(=N/C(=O)COc3ccccc3C)[nH]nc2c1 Cc1ccccc1[*:1] Cc1ccn2/c(=N/C(=O)CO[*:1])[nH]nc2c1
CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)cc3C)N([C@H](C)C(C)C)C2=O)cc1 CC(=O)[*:1] Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(cc3)[*:1])C(=O)N2[C@H](C)C(C)C)c(C)c1
CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)cc3C)N([C@H](C)C(C)C)C2=O)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1ccc(/N=C2\S[C@@H](CC(=O)N[*:1])C(=O)N2[C@H](C)C(C)C)c(C)c1
CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)cc3C)N([C@H](C)C(C)C)C2=O)cc1 Cc1ccc(c(C)c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)C[C@@H]1SC(=N[*:1])N(C1=O)[C@H](C)C(C)C
CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)cc3C)N([C@H](C)C(C)C)C2=O)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)NC(=O)C[C@@H]1S/C(=N\c2ccc(C)cc2C)N(C1=O)[C@H](C)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)CCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)CCc1ncc(o1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)CCc1ncc(-c2ccccc2)o1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)CCc1ncc(o1)-c1ccccc1
C[C@@H](Cc1cccs1)N(C)C(=O)CCc1ncc(-c2ccccc2)o1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)CCc1ncc(o1)-c1ccccc1)[*:1]
COc1cccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 Cc1ccc(cc1)[*:1] COc1cccc(/C=N/NC(=O)[C@@H]2CC(=O)N(C2)[*:1])c1
COc1cccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NN=C[*:1]
Cc1cc(C(=O)N2CCC[C@@H]2C(C)C)sc1/C=C/C(=O)[O-] O=C([O-])[*:1] Cc1cc(sc1C=C[*:1])C(=O)N1CCC[C@@H]1C(C)C
Cc1cc(C(=O)N2CCC[C@@H]2C(C)C)sc1/C=C/C(=O)[O-] CC(C)[*:1] Cc1cc(sc1/C=C/C(=O)[O-])C(=O)N1CCC[C@H]1[*:1]
O=C(Cc1ccc(F)cc1F)N(C1CC1)[C@H]1CCc2ccccc21 Fc1ccc(c(F)c1)[*:1] O=C(C[*:1])N(C1CC1)[C@H]1CCc2ccccc21
O=C(Cc1ccc(F)cc1F)N(C1CC1)[C@H]1CCc2ccccc21 C1CC1[*:1] O=C(Cc1ccc(F)cc1F)N([C@H]1CCc2ccccc21)[*:1]
C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)C(=O)NC[*:1]
C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)C(=O)N[*:1]
Cc1cccc(C(=O)Nc2ccccc2SC(F)F)c1C FC(F)S[*:1] Cc1cccc(C(=O)Nc2ccccc2[*:1])c1C
Cc1cccc(C(=O)Nc2ccccc2SC(F)F)c1C FC(F)[*:1] Cc1cccc(C(=O)Nc2ccccc2S[*:1])c1C
O=C([O-])c1ccc2c(=O)[nH][nH]c(=O)c2c1 O=C([O-])[*:1] O=c1[nH][nH]c(=O)c2cc(ccc12)[*:1]
CCOC(=O)N1CCC(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)CC1 CC1(C)CS(=O)(=O)N(C1=O)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)c1cccc(c1)[*:1]
Cc1ccc(NC(=O)NC[C@H](c2cccn2C)[NH+]2CCCC2)cc1C Cn1cccc1[*:1] Cc1ccc(cc1C)NC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1ccc(NC(=O)NC[C@H](c2cccn2C)[NH+]2CCCC2)cc1C Cc1ccc(cc1C)[*:1] Cn1cccc1[C@@H](CNC(=O)N[*:1])[NH+]1CCCC1
CCS(=O)(=O)CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 CCS(=O)(=O)[*:1] O=C(C[*:1])N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1
CCS(=O)(=O)CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 CCS(=O)(=O)C[*:1] O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
CCS(=O)(=O)CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 C1CC1[*:1] CCS(=O)(=O)CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
CS(=O)(=O)c1ccccc1NC[C@H]1CN2CCCC[C@@H]2CO1 CS(=O)(=O)[*:1] c1ccc(c(c1)NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
O=C(CN1C(=O)CNC1=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] O=C(CN1C(=O)CNC1=O)NC[C@@H]([NH+]1CCCC1)[*:1]
O=C(CN1C(=O)CNC1=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 O=C1CNC(=O)N1C[*:1] O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[*:1]
O=C(CN1C(=O)CNC1=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 O=C1CNC(=O)N1[*:1] O=C(C[*:1])NC[C@@H](c1ccccc1)[NH+]1CCCC1
CSc1ccc(NC(=O)C(=O)N(C)CC2CCC(C)CC2)cn1 CC1CCC(CC1)[*:1] CSc1ccc(cn1)NC(=O)C(=O)N(C)C[*:1]
O=C(N/N=C1/C=C(c2ccccc2)[C@](O)(c2ccccc2)C1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(N/N=C1/C=C([C@@](O)(C1)c1ccccc1)[*:1])c1cccc(Cl)c1
O=C(N/N=C1/C=C(c2ccccc2)[C@](O)(c2ccccc2)C1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(N/N=C1/C=C(c2ccccc2)[C@@](O)(C1)c1ccccc1)[*:1]
O=C(N/N=C1/C=C(c2ccccc2)[C@](O)(c2ccccc2)C1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(N/N=C1/C=C(c2ccccc2)[C@](O)(C1)[*:1])c1cccc(Cl)c1
CNC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2 CNC(=O)[*:1] O=C(Nc1sc2CCCc2c1[*:1])c1cccs1
CNC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2 c1csc(c1)[*:1] CNC(=O)c1c(NC(=O)[*:1])sc2CCCc21
COC(=O)c1ccc(F)c(N[C@H]2CSCCC2(C)C)c1 COC(=O)[*:1] CC1(C)CCSC[C@@H]1Nc1cc(ccc1F)[*:1]
Cc1cc(C(C)(C)C)cc(C)c1C[n+]1cc(Cl)n(C)c1 CC(C)(C)[*:1] Cc1cc(cc(C)c1C[n+]1cc(Cl)n(C)c1)[*:1]
CC(C)(C)CCSc1nnnn1-c1ccccc1 CC(C)(C)[*:1] c1ccc(cc1)-n1nnnc1SCC[*:1]
CC(C)(C)CCSc1nnnn1-c1ccccc1 CC(C)(C)C[*:1] c1ccc(cc1)-n1nnnc1SC[*:1]
CC(C)(C)CCSc1nnnn1-c1ccccc1 CC(C)(C)CC[*:1] c1ccc(cc1)-n1nnnc1S[*:1]
CC(C)(C)CCSc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)CCSc1nnnn1[*:1]
CSC[C@@H](C)NC(=O)N(C)C[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CSC[C@@H](C)NC(=O)N(C)C[C@H](C)[*:1]
CSC[C@@H](C)NC(=O)N(C)C[C@H](C)c1ccccc1 CSC[*:1] C[C@@H](CN(C)C(=O)N[C@H](C)[*:1])c1ccccc1
CSC[C@@H](C)NC(=O)N(C)C[C@H](C)c1ccccc1 CSC[C@@H](C)[*:1] C[C@@H](CN(C)C(=O)N[*:1])c1ccccc1
COc1ccc([N+](=O)[O-])cc1COC(=O)C1=NC=C(Br)C1 O=[N+]([O-])[*:1] COc1ccc(cc1COC(=O)C1CC(Br)=CN=1)[*:1]
COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)CC1=O c1csc(n1)[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)CC1=O COc1ccccc1[*:1] O=C(Nc1ccc(cc1)-c1nccs1)[C@H]1CC(=O)N(C1)[*:1]
CCOC(=O)N1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 C1CC1[*:1] CCOC(=O)N1CCC(CC1)[NH2+][C@H](c1ccc(Cl)cc1)[*:1]
CCOC(=O)N1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 Clc1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)[NH2+][C@H](C1CC1)[*:1]
COCCC[NH+](C)Cc1ccc(-c2ccccc2)o1 COCCC[*:1] C[NH+](Cc1ccc(o1)-c1ccccc1)[*:1]
COCCC[NH+](C)Cc1ccc(-c2ccccc2)o1 COCC[*:1] C[NH+](Cc1ccc(o1)-c1ccccc1)C[*:1]
COCCC[NH+](C)Cc1ccc(-c2ccccc2)o1 COC[*:1] C[NH+](CC[*:1])Cc1ccc(o1)-c1ccccc1
COCCC[NH+](C)Cc1ccc(-c2ccccc2)o1 c1ccc(cc1)[*:1] COCCC[NH+](C)Cc1ccc(o1)[*:1]
CC[C@H](C)Oc1ccc(-c2ccccc2)cc1C=O CC[C@H](C)O[*:1] O=Cc1cc(ccc1[*:1])-c1ccccc1
CC[C@H](C)Oc1ccc(-c2ccccc2)cc1C=O c1ccc(cc1)[*:1] CC[C@H](C)Oc1ccc(cc1C=O)[*:1]
CC[C@H](C)Oc1ccc(-c2ccccc2)cc1C=O CC[C@H](C)[*:1] O=Cc1cc(ccc1O[*:1])-c1ccccc1
O=C(C[NH2+][C@H](C1CCCC1)C(F)(F)F)Nc1cccc2nsnc12 C1CCC(C1)[*:1] O=C(C[NH2+][C@H](C(F)(F)F)[*:1])Nc1cccc2nsnc12
O=C(C[NH2+][C@H](C1CCCC1)C(F)(F)F)Nc1cccc2nsnc12 FC(F)(F)[*:1] O=C(C[NH2+][C@H](C1CCCC1)[*:1])Nc1cccc2nsnc12
Cc1ccccc1Cn1cc(SCC(N)=O)c2ccccc21 NC(=O)[*:1] Cc1ccccc1Cn1cc(SC[*:1])c2ccccc21
Cc1ccccc1Cn1cc(SCC(N)=O)c2ccccc21 Cc1ccccc1[*:1] NC(=O)CSc1cn(C[*:1])c2ccccc12
Cc1ccccc1Cn1cc(SCC(N)=O)c2ccccc21 NC(=O)CS[*:1] Cc1ccccc1Cn1cc(c2ccccc21)[*:1]
Cc1ccccc1Cn1cc(SCC(N)=O)c2ccccc21 NC(=O)C[*:1] Cc1ccccc1Cn1cc(S[*:1])c2ccccc21
CC/[NH+]=C(/NCC(=O)NC1CC1)N1CCN(c2ccc(F)cc2)CC1 O=C(NC1CC1)[*:1] CC/[NH+]=C(/NC[*:1])N1CCN(CC1)c1ccc(F)cc1
CC/[NH+]=C(/NCC(=O)NC1CC1)N1CCN(c2ccc(F)cc2)CC1 C1CC1[*:1] CC/[NH+]=C(/NCC(=O)N[*:1])N1CCN(CC1)c1ccc(F)cc1
CC/[NH+]=C(/NCC(=O)NC1CC1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC/[NH+]=C(/NCC(=O)NC1CC1)N1CCN(CC1)[*:1]
CC/[NH+]=C(/NCC(=O)NC1CC1)N1CCN(c2ccc(F)cc2)CC1 O=C(C[*:1])NC1CC1 CC/[NH+]=C(/N[*:1])N1CCN(CC1)c1ccc(F)cc1
Cc1ccc(N2C(=O)S/C(=C/c3cccc(O[C@H](C)C(=O)[O-])c3)C2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](Oc1cccc(/C=C2/SC(=O)N(C2=O)[*:1])c1)C(=O)[O-]
Cc1ccc(N2C(=O)S/C(=C/c3cccc(O[C@H](C)C(=O)[O-])c3)C2=O)c(C)c1 O=C([O-])[*:1] Cc1ccc(c(C)c1)N1C(=O)S/C(=C/c2cccc(c2)O[C@H](C)[*:1])C1=O
Cc1cc(-c2csc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2)on1 NS(=O)(=O)[*:1] Cc1cc(on1)-c1csc(c1)S(=O)(=O)NCCc1ccc(cc1)[*:1]
Cc1cc(-c2csc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2)on1 Cc1cc(on1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNS(=O)(=O)c1cc(cs1)[*:1]
COc1ccc2nc(N(C[C@H]3CCCO3)C(=O)/C=C/c3cccs3)sc2c1 C(=C[*:1])c1cccs1 COc1ccc2nc(sc2c1)N(C[C@H]1CCCO1)C(=O)[*:1]
COc1ccc2nc(N(C[C@H]3CCCO3)C(=O)/C=C/c3cccs3)sc2c1 c1csc(c1)[*:1] COc1ccc2nc(sc2c1)N(C[C@H]1CCCO1)C(=O)C=C[*:1]
NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCCO OCC[*:1] NC(=O)[C@@H]1C[C@H](O)CN1C(=O)O[*:1]
NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCCO NC(=O)[*:1] O=C(OCCO)N1C[C@@H](O)C[C@H]1[*:1]
CCOc1ccccc1NC(=O)CN1C[C@H](C)Oc2ccc(Cl)cc21 CCO[*:1] C[C@H]1CN(CC(=O)Nc2ccccc2[*:1])c2cc(Cl)ccc2O1
CC(C)C[C@](C)(O)CNC(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)(C)[*:1] CC(C)C[C@](C)(O)CNC(=O)c1nc(n[nH]1)[*:1]
CC(C)C[C@](C)(O)CNC(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)NC[C@@](C)(O)C[*:1]
CC(C)C[C@](C)(O)CNC(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)C[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)NC[C@](C)(O)[*:1]
Clc1cccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)c1 c1cncc(c1)[*:1] Clc1cccc(c1)-c1nc(cc(n1)[*:1])N[C@H]1CCC[NH2+]C1
Clc1cccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(-c3cccnc3)n2)c1 Clc1cccc(c1)[*:1] c1cncc(c1)-c1cc(nc(n1)[*:1])N[C@H]1CCC[NH2+]C1
COc1cccc(-c2cc3c(nc(C)n3[C@@H]3CCS(=O)(=O)C3)c(C(=O)N3CCC(C)CC3)n2)c1 CC1CCN(CC1)C(=O)[*:1] COc1cccc(c1)-c1cc2c(nc(C)n2[C@@H]2CCS(=O)(=O)C2)c(n1)[*:1]
COc1cccc(-c2cc3c(nc(C)n3[C@@H]3CCS(=O)(=O)C3)c(C(=O)N3CCC(C)CC3)n2)c1 COc1cccc(c1)[*:1] Cc1nc2c(nc(cc2n1[C@@H]1CCS(=O)(=O)C1)[*:1])C(=O)N1CCC(C)CC1
COc1cccc2cc(C(=O)Nc3ccccc3)/c(=[NH+]/NS(=O)(=O)c3ccc(C)cc3)oc12 O=C(Nc1ccccc1)[*:1] COc1cccc2cc(/c(=[NH+]/NS(=O)(=O)c3ccc(C)cc3)oc12)[*:1]
COc1cccc2cc(C(=O)Nc3ccccc3)/c(=[NH+]/NS(=O)(=O)c3ccc(C)cc3)oc12 Cc1ccc(cc1)[*:1] COc1cccc2cc(C(=O)Nc3ccccc3)/c(=[NH+]/NS(=O)(=O)[*:1])oc12
COc1cccc2cc(C(=O)Nc3ccccc3)/c(=[NH+]/NS(=O)(=O)c3ccc(C)cc3)oc12 c1ccc(cc1)[*:1] COc1cccc2cc(C(=O)N[*:1])/c(=[NH+]/NS(=O)(=O)c3ccc(C)cc3)oc12
CS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)C1 FC(F)S[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)C1 FC(F)[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)C(=O)Nc1ccc(cc1)S[*:1]
CC[NH2+][C@H](C)c1ccnc(N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] CC[NH2+][C@H](C)c1ccnc(c1)N(C)[*:1]
CC[C@@H](CC(=O)Nc1ccnc2ccnn12)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](CC(=O)Nc1ccnc2ccnn12)[*:1]
CC(CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(CNS(=O)(=O)c1ccc(cc1)S(C)(=O)=O)(c1ccccc1)[*:1]
CC(CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)(c1ccccc1)c1ccccc1 CS(=O)(=O)[*:1] CC(CNS(=O)(=O)c1ccc(cc1)[*:1])(c1ccccc1)c1ccccc1
O=C(c1n[nH]nc1Nc1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 Clc1ccc(cc1)[*:1] O=C(c1n[nH]nc1N[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(c1n[nH]nc1Nc1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 Clc1ccc(cc1)N[*:1] O=C(c1n[nH]nc1[*:1])N1CCN(CC1)c1cccc[nH+]1
N#C[C@@H](C(=O)CCCn1ccnn1)c1nc(-c2ccccc2)cs1 c1cn(nn1)[*:1] N#C[C@@H](C(=O)CCC[*:1])c1nc(cs1)-c1ccccc1
N#C[C@@H](C(=O)CCCn1ccnn1)c1nc(-c2ccccc2)cs1 c1cn(CC[*:1])nn1 N#C[C@@H](C(=O)C[*:1])c1nc(cs1)-c1ccccc1
N#C[C@@H](C(=O)CCCn1ccnn1)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] N#C[C@@H](C(=O)CCCn1ccnn1)c1nc(cs1)[*:1]
N#C[C@@H](C(=O)CCCn1ccnn1)c1nc(-c2ccccc2)cs1 c1cn(C[*:1])nn1 N#C[C@@H](C(=O)CC[*:1])c1nc(cs1)-c1ccccc1
N#C[C@@H](C(=O)CCCn1ccnn1)c1nc(-c2ccccc2)cs1 c1cn(CCC[*:1])nn1 N#C[C@@H](C(=O)[*:1])c1nc(cs1)-c1ccccc1
O=S(=O)(CCC1CC1)NC[C@@H]1COc2ccccc2O1 C1CC1C[*:1] O=S(=O)(C[*:1])NC[C@@H]1COc2ccccc2O1
O=S(=O)(CCC1CC1)NC[C@@H]1COc2ccccc2O1 C1CC1[*:1] O=S(=O)(CC[*:1])NC[C@@H]1COc2ccccc2O1
O=S(=O)(CCC1CC1)NC[C@@H]1COc2ccccc2O1 C1CC1CC[*:1] O=S(=O)(NC[C@@H]1COc2ccccc2O1)[*:1]
C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)CO C/C(=C\C[*:1])CO OC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1cnc2c(ncnc21)N[*:1]
C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)CO C/C(=C\CN[*:1])CO OC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1cnc2c(ncnc21)[*:1]
C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)CO CC(=C[*:1])CO OC[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1cnc2c(ncnc21)NC[*:1]
COC(=O)c1ccc2c(=O)n(-c3ccc4c(c3)OCO4)c(N3CC[NH+](Cc4ccccc4)CC3)nc2c1 c1cc2OCOc2cc1[*:1] COC(=O)c1ccc2c(=O)n(c(nc2c1)N1CC[NH+](CC1)Cc1ccccc1)[*:1]
COC(=O)c1ccc2c(=O)n(-c3ccc4c(c3)OCO4)c(N3CC[NH+](Cc4ccccc4)CC3)nc2c1 COC(=O)[*:1] O=c1c2ccc(cc2nc(N2CC[NH+](CC2)Cc2ccccc2)n1-c1ccc2OCOc2c1)[*:1]
COC(=O)c1ccc2c(=O)n(-c3ccc4c(c3)OCO4)c(N3CC[NH+](Cc4ccccc4)CC3)nc2c1 c1ccc(cc1)C[*:1] COC(=O)c1ccc2c(=O)n(-c3ccc4OCOc4c3)c(nc2c1)N1CC[NH+](CC1)[*:1]
COC(=O)c1ccc2c(=O)n(-c3ccc4c(c3)OCO4)c(N3CC[NH+](Cc4ccccc4)CC3)nc2c1 c1ccc(cc1)[*:1] COC(=O)c1ccc2c(=O)n(-c3ccc4OCOc4c3)c(nc2c1)N1CC[NH+](CC1)C[*:1]
CCOc1ccc(C2=CCN(C(=O)NCCC(=O)N3CCCC3)CC2)cc1 O=C(N1CCCC1)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)NCC[*:1]
CCOc1ccc(C2=CCN(C(=O)NCCC(=O)N3CCCC3)CC2)cc1 O=C(CC[*:1])N1CCCC1 CCOc1ccc(cc1)C1=CCN(CC1)C(=O)N[*:1]
CCOc1ccc(C2=CCN(C(=O)NCCC(=O)N3CCCC3)CC2)cc1 O=C(C[*:1])N1CCCC1 CCOc1ccc(cc1)C1=CCN(CC1)C(=O)NC[*:1]
CCOc1ccc(C2=CCN(C(=O)NCCC(=O)N3CCCC3)CC2)cc1 CCO[*:1] O=C(CCNC(=O)N1CC=C(CC1)c1ccc(cc1)[*:1])N1CCCC1
CCOc1ccc(C2=CCN(C(=O)NCCC(=O)N3CCCC3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(CCNC(=O)N1CC=C(CC1)[*:1])N1CCCC1
COc1ccccc1CNC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1 C1CCC(C1)[*:1] COc1ccccc1CNC(=O)c1cc(NC(=O)[*:1])n(C)n1
COc1ccccc1CNC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1 COc1ccccc1[*:1] Cn1nc(cc1NC(=O)C1CCCC1)C(=O)NC[*:1]
COc1ccccc1CNC(=O)c1cc(NC(=O)C2CCCC2)n(C)n1 O=C(N[*:1])C1CCCC1 COc1ccccc1CNC(=O)c1cc(n(C)n1)[*:1]
Cc1ccc([C@H](C)NC(=O)NCC(=O)Nc2cccnc2)cc1F c1cncc(c1)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)NCC(=O)N[*:1]
Cc1ccc([C@H](C)NC(=O)NCC(=O)Nc2cccnc2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](NC(=O)NCC(=O)Nc1cccnc1)[*:1]
COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1 OCc1ccc(o1)[*:1] COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(cc1)[*:1]
CNC(=O)c1[nH]c2ccccc2c1N1CCCC1=O O=C1CCCN1[*:1] CNC(=O)c1[nH]c2ccccc2c1[*:1]
CNC(=O)c1[nH]c2ccccc2c1N1CCCC1=O CNC(=O)[*:1] O=C1CCCN1c1c([nH]c2ccccc12)[*:1]
O=C([O-])/C=C\c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 O=C([O-])[*:1] O=C([O-])c1ccc(O)c(c1)S(=O)(=O)Nc1cccc(C=C[*:1])c1
O=C([O-])/C=C\c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 O=C([O-])C=C[*:1] O=C([O-])c1ccc(O)c(c1)S(=O)(=O)Nc1cccc(c1)[*:1]
O=C([O-])/C=C\c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 O=C([O-])[*:1] O=C([O-])/C=C\c1cccc(c1)NS(=O)(=O)c1cc(ccc1O)[*:1]
O=C(NC[C@H](O)c1ccco1)NC1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(NC[C@H](O)c1ccco1)NC1CCN(CC1)C(=O)[*:1]
O=C(NC[C@H](O)c1ccco1)NC1CCN(C(=O)C2CCCCC2)CC1 c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])NC1CCN(CC1)C(=O)C1CCCCC1
Cc1cc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)nn1C Cc1cc(nn1C)[*:1] CC(C)(C)OC(=O)Nc1ccc(cc1)CCNC(=O)[*:1]
Cc1cc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)nn1C CC(C)(C)[*:1] Cc1cc(nn1C)C(=O)NCCc1ccc(cc1)NC(=O)O[*:1]
Cc1cc(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)nn1C CC(C)(C)OC(=O)N[*:1] Cc1cc(nn1C)C(=O)NCCc1ccc(cc1)[*:1]
Cc1cc(=O)c(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)nn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C
CCCOc1cccc([C@@H]2NC(=O)NC2=N)c1 CCC[*:1] N=C1NC(=O)N[C@H]1c1cccc(c1)O[*:1]
CCCOc1cccc([C@@H]2NC(=O)NC2=N)c1 CCCO[*:1] N=C1NC(=O)N[C@H]1c1cccc(c1)[*:1]
CCOC(=O)C1=C2Sc3ccccc3N2C(=O)N[C@@]1(c1ccccc1)C(F)(F)F CCOC(=O)[*:1] O=C1N[C@@](C(=C2Sc3ccccc3N12)[*:1])(c1ccccc1)C(F)(F)F
CCOC(=O)C1=C2Sc3ccccc3N2C(=O)N[C@@]1(c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] CCOC(=O)C1=C2Sc3ccccc3N2C(=O)N[C@]1(C(F)(F)F)[*:1]
CCOC(=O)C1=C2Sc3ccccc3N2C(=O)N[C@@]1(c1ccccc1)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)C1=C2Sc3ccccc3N2C(=O)N[C@]1(c1ccccc1)[*:1]
CSC[C@@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)cs1 CSC[*:1] C[C@@H](C(=O)Nc1nc(cs1)-c1c(F)cccc1F)[*:1]
COc1ccccc1N(C)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 COc1ccccc1[*:1] CN(C(=O)c1ccc(cc1)C(=O)OC(C)(C)C)[*:1]
COc1ccccc1N(C)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)OC(=O)[*:1] COc1ccccc1N(C)C(=O)c1ccc(cc1)[*:1]
COc1ccccc1N(C)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccccc1N(C)C(=O)c1ccc(cc1)C(=O)O[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)N1CCC(CS(N)(=O)=O)CC1 NS(=O)(=O)[*:1] C[C@H](CCc1cccc(F)c1)C(=O)N1CCC(CC1)C[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)N1CCC(CS(N)(=O)=O)CC1 Fc1cccc(c1)[*:1] C[C@H](CC[*:1])C(=O)N1CCC(CC1)CS(N)(=O)=O
C[C@H](CCc1cccc(F)c1)C(=O)N1CCC(CS(N)(=O)=O)CC1 Fc1cccc(c1)C[*:1] C[C@H](C[*:1])C(=O)N1CCC(CC1)CS(N)(=O)=O
C[C@H](CCc1cccc(F)c1)C(=O)N1CCC(CS(N)(=O)=O)CC1 NS(=O)(=O)C[*:1] C[C@H](CCc1cccc(F)c1)C(=O)N1CCC(CC1)[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CC(C)C[*:1] CCCCNC(=O)[C@H]1CCCN(C1)C(=O)C(C)(C)[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CC(C)CC(C)(C)[*:1] CCCCNC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CCCCNC(=O)[*:1] CC(C)CC(C)(C)C(=O)N1CCC[C@@H](C1)[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CC(C)[*:1] CCCCNC(=O)[C@H]1CCCN(C1)C(=O)C(C)(C)C[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CCCC[*:1] CC(C)CC(C)(C)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CCC[*:1] CC(C)CC(C)(C)C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
CCn1c(NC(=O)c2ccccc2Cl)c(-c2ccccc2)c(=O)c2ccccc21 c1ccc(cc1)[*:1] CCn1c(NC(=O)c2ccccc2Cl)c(c(=O)c2ccccc21)[*:1]
CCn1c(NC(=O)c2ccccc2Cl)c(-c2ccccc2)c(=O)c2ccccc21 Clc1ccccc1[*:1] CCn1c(NC(=O)[*:1])c(-c2ccccc2)c(=O)c2ccccc21
O=C(NCc1cn(-c2ccccc2)nn1)N[C@@H]1C=CCCC1 c1ccc(cc1)[*:1] O=C(NCc1cn(nn1)[*:1])N[C@@H]1C=CCCC1
Cc1ccn(-c2c(C)nc3ccccc3c2CO)n1 Cc1ccn(n1)[*:1] Cc1nc2ccccc2c(CO)c1[*:1]
CN(C)c1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1 CN(C)[*:1] C(=N/C12CC3CC(CC(C3)C1)C2)\c1ccc(cc1)[*:1]
CCOC(=O)CN(CC)Cc1c[nH]nc1C CCOC(=O)[*:1] CCN(Cc1c[nH]nc1C)C[*:1]
Cc1nc(C)n(CCCn2cc(-c3ccc(CO)o3)nn2)n1 OCc1ccc(o1)[*:1] Cc1nc(C)n(CCCn2cc(nn2)[*:1])n1
Cc1nc(C)n(CCCn2cc(-c3ccc(CO)o3)nn2)n1 Cc1nc(C)n(n1)[*:1] OCc1ccc(o1)-c1cn(CCC[*:1])nn1
CC(C)[C@@](C)(O)CNC(=O)[C@@]1(C)CCCc2ccccc21 CC(C)[C@@](C)(O)[*:1] C[C@@]1(CCCc2ccccc21)C(=O)NC[*:1]
CC(C)[C@@](C)(O)CNC(=O)[C@@]1(C)CCCc2ccccc21 CC(C)[*:1] C[C@@]1(CCCc2ccccc21)C(=O)NC[C@@](C)(O)[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])c1ccc2ccccc2c1
CN(C)c1ccc2nc([C@]3(N)CCOC3)[nH]c2n1 CN(C)[*:1] N[C@]1(CCOC1)c1nc2ccc(nc2[nH]1)[*:1]
CNC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1 COC(=O)[*:1] CNC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CNC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1 CNC(=O)[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1ccccc1[*:1]
Cc1nn(C)c(N[C@@H]2C=C[C@H](C(=O)[O-])C2)c1C#N O=C([O-])[*:1] Cc1nn(C)c(N[C@@H]2C=C[C@H](C2)[*:1])c1C#N
Cc1nc(CC(=O)N[C@H](C)c2nnc(SCc3ccccc3C)n2C)cs1 Cc1nc(cs1)C[*:1] Cc1ccccc1CSc1nnc([C@@H](C)NC(=O)[*:1])n1C
Cc1nc(CC(=O)N[C@H](C)c2nnc(SCc3ccccc3C)n2C)cs1 Cc1ccccc1C[*:1] Cc1nc(cs1)CC(=O)N[C@H](C)c1nnc(S[*:1])n1C
Cc1nc(CC(=O)N[C@H](C)c2nnc(SCc3ccccc3C)n2C)cs1 Cc1nc(cs1)[*:1] Cc1ccccc1CSc1nnc([C@@H](C)NC(=O)C[*:1])n1C
Cc1nc(CC(=O)N[C@H](C)c2nnc(SCc3ccccc3C)n2C)cs1 Cc1ccccc1[*:1] Cc1nc(cs1)CC(=O)N[C@H](C)c1nnc(SC[*:1])n1C
Cc1nc(CC(=O)N[C@H](C)c2nnc(SCc3ccccc3C)n2C)cs1 Cc1ccccc1CS[*:1] Cc1nc(cs1)CC(=O)N[C@H](C)c1nnc(n1C)[*:1]
NC(=O)Cn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 NC(=O)C[*:1] O=C([C@H]1CC(=O)N(C1)C1CC1)N1CCC(CC1)c1[nH+]ccn1[*:1]
NC(=O)Cn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 C1CC1[*:1] NC(=O)Cn1cc[nH+]c1C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
NC(=O)Cn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 NC(=O)[*:1] O=C([C@H]1CC(=O)N(C1)C1CC1)N1CCC(CC1)c1[nH+]ccn1C[*:1]
CC(C)OCCC(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1 CC(C)OCC[*:1] CS(=O)(=O)[N-]c1ccc(cc1Cl)NC(=O)[*:1]
CC(C)OCCC(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1 CC(C)[*:1] CS(=O)(=O)[N-]c1ccc(cc1Cl)NC(=O)CCO[*:1]
CC(C)OCCC(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1 CC(C)OC[*:1] CS(=O)(=O)[N-]c1ccc(cc1Cl)NC(=O)C[*:1]
CC(C)OCCC(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1 CC(C)O[*:1] CS(=O)(=O)[N-]c1ccc(cc1Cl)NC(=O)CC[*:1]
O=C(NCC(=O)N1CCc2cc(F)ccc2C1)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCc2cc(F)ccc2C1)c1cc(on1)[*:1]
CCc1ccsc1-c1nnnn1C[C@H](CC(C)C)C(=O)[O-] O=C([O-])[*:1] CCc1ccsc1-c1nnnn1C[C@H](CC(C)C)[*:1]
CCc1ccsc1-c1nnnn1C[C@H](CC(C)C)C(=O)[O-] CC(C)[*:1] CCc1ccsc1-c1nnnn1C[C@H](C[*:1])C(=O)[O-]
CCc1ccsc1-c1nnnn1C[C@H](CC(C)C)C(=O)[O-] CCc1ccsc1[*:1] CC(C)C[C@@H](Cn1nnnc1[*:1])C(=O)[O-]
CCc1ccsc1-c1nnnn1C[C@H](CC(C)C)C(=O)[O-] CC(C)C[*:1] CCc1ccsc1-c1nnnn1C[C@H](C(=O)[O-])[*:1]
CC(C)c1cnc(CS(=O)(=O)Cc2ncoc2C(C)C)o1 CC(C)[*:1] CC(C)c1ocnc1CS(=O)(=O)Cc1ncc(o1)[*:1]
CC(C)c1cnc(CS(=O)(=O)Cc2ncoc2C(C)C)o1 CC(C)[*:1] CC(C)c1cnc(CS(=O)(=O)Cc2ncoc2[*:1])o1
COc1cccc(-c2cccnc2C(=O)[O-])c1F O=C([O-])[*:1] COc1cccc(-c2cccnc2[*:1])c1F
COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccco2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])[C@@H]1c2c(C)nn(C)c2NC(=O)[C@H]1NC(=O)c1ccco1
COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccco2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])[C@@H]1c2c(C)nn(C)c2NC(=O)[C@H]1NC(=O)c1ccco1
COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccco2)ccc1OC(F)F c1coc(c1)[*:1] COc1cc(ccc1OC(F)F)[C@@H]1c2c(C)nn(C)c2NC(=O)[C@H]1NC(=O)[*:1]
COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccco2)ccc1OC(F)F O=C(N[*:1])c1ccco1 COc1cc(ccc1OC(F)F)[C@@H]1c2c(C)nn(C)c2NC(=O)[C@@H]1[*:1]
C[C@H](CC#N)N(C)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](CC#N)N(C)Cc1ccc(cc1)[*:1]
C[C@H](CC#N)N(C)Cc1ccc(C(F)(F)F)cc1 N#CC[*:1] C[C@H](N(C)Cc1ccc(cc1)C(F)(F)F)[*:1]
CC(C)(C)n1cc(NC(=O)c2ccccc2SC[C@H]2CCCO2)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)[*:1])c1ccccc1SC[C@H]1CCCO1
CC(C)(C)n1cc(NC(=O)c2ccccc2SC[C@H]2CCCO2)cn1 C1CO[C@H](C1)CS[*:1] CC(C)(C)n1cc(cn1)NC(=O)c1ccccc1[*:1]
CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCO2)C(C)(C)O1 C1CO[C@@H](C1)[*:1] CC1(C)C[C@@H]([NH2+]C[*:1])C(C)(C)O1
COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NCc3ccc(C)o3)c3ccccc3C(=O)N1CC2 Cc1ccc(C[*:1])o1 COc1cc2CCN3C(=O)c4ccccc4[C@@H](C(=O)N[*:1])[C@H]3c2cc1OC
COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NCc3ccc(C)o3)c3ccccc3C(=O)N1CC2 Cc1ccc(CNC(=O)[*:1])o1 COc1cc2CCN3C(=O)c4ccccc4[C@@H]([C@H]3c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NCc3ccc(C)o3)c3ccccc3C(=O)N1CC2 Cc1ccc(o1)[*:1] COc1cc2CCN3C(=O)c4ccccc4[C@@H](C(=O)NC[*:1])[C@H]3c2cc1OC
CCC[C@@H]([NH2+]C)c1ccn(CC(N)=O)c1 CCC[*:1] C[NH2+][C@@H](c1ccn(c1)CC(N)=O)[*:1]
CCC[C@@H]([NH2+]C)c1ccn(CC(N)=O)c1 NC(=O)C[*:1] CCC[C@@H]([NH2+]C)c1ccn(c1)[*:1]
CCC[C@@H]([NH2+]C)c1ccn(CC(N)=O)c1 NC(=O)[*:1] CCC[C@@H]([NH2+]C)c1ccn(c1)C[*:1]
O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)Nc1nccs1 c1csc(n1)[*:1] O=C(CN1CCN(CC1)C(=O)Cc1ccccc1F)N[*:1]
O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)Nc1nccs1 Fc1ccccc1[*:1] O=C(CN1CCN(CC1)C(=O)C[*:1])Nc1nccs1
O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)Nc1nccs1 O=C(Nc1nccs1)[*:1] O=C(Cc1ccccc1F)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)Nc1nccs1 Fc1ccccc1C[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1nccs1
O=C(Nc1ccc(COc2ccccc2)cc1)[C@@H]1CCCS1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@@H]1CCCS1
O=C(Nc1ccc(COc2ccccc2)cc1)[C@@H]1CCCS1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)CO[*:1])[C@@H]1CCCS1
C[C@@]1(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)CCS(=O)(=O)C1 Fc1cccc(c1)[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)Cn1nnc(n1)[*:1]
O=C(COc1ccc(F)cc1)Nc1sc2c(c1C(=O)NC1CC1)CCC2 C1CC1[*:1] O=C(COc1ccc(F)cc1)Nc1sc2CCCc2c1C(=O)N[*:1]
O=C(COc1ccc(F)cc1)Nc1sc2c(c1C(=O)NC1CC1)CCC2 Fc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1sc2CCCc2c1C(=O)NC1CC1
O=C(COc1ccc(F)cc1)Nc1sc2c(c1C(=O)NC1CC1)CCC2 O=C(NC1CC1)[*:1] O=C(COc1ccc(F)cc1)Nc1sc2CCCc2c1[*:1]
O=C(COc1ccc(F)cc1)Nc1sc2c(c1C(=O)NC1CC1)CCC2 Fc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1sc2CCCc2c1C(=O)NC1CC1
CCc1cc(N2CCCC[C@@H]2CNC(N)=O)n2ncnc2n1 NC(=O)NC[*:1] CCc1cc(N2CCCC[C@H]2[*:1])n2ncnc2n1
CCc1cc(N2CCCC[C@@H]2CNC(N)=O)n2ncnc2n1 NC(=O)N[*:1] CCc1cc(N2CCCC[C@@H]2C[*:1])n2ncnc2n1
O=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1 Clc1ccccc1OC[*:1] O=C(c1ccc(o1)[*:1])N1CCN(CC1)c1ccccc1
O=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(CC1)[*:1]
O=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1 Clc1ccccc1[*:1] O=C(c1ccc(CO[*:1])o1)N1CCN(CC1)c1ccccc1
O=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1 Clc1ccccc1O[*:1] O=C(c1ccc(C[*:1])o1)N1CCN(CC1)c1ccccc1
Cc1ccc(C2=CC(=O)N(CC(=O)NCc3ccccc3)c3ccccc3N2)cc1C O=C(NCc1ccccc1)[*:1] Cc1ccc(cc1C)C1=CC(=O)N(C[*:1])c2ccccc2N1
Cc1ccc(C2=CC(=O)N(CC(=O)NCc3ccccc3)c3ccccc3N2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)C1=CC(=O)N(CC(=O)N[*:1])c2ccccc2N1
Cc1ccc(C2=CC(=O)N(CC(=O)NCc3ccccc3)c3ccccc3N2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)C1=CC(=O)N(CC(=O)NC[*:1])c2ccccc2N1
Cc1ccc(C2=CC(=O)N(CC(=O)NCc3ccccc3)c3ccccc3N2)cc1C Cc1ccc(cc1C)[*:1] O=C(CN1C(=O)C=C(Nc2ccccc21)[*:1])NCc1ccccc1
O=C1/C(=C/c2cccnc2)CCOc2ccc(F)cc21 c1cncc(c1)[*:1] O=C1C(=C[*:1])CCOc2ccc(F)cc21
C[C@H](NC(=O)N1CCc2ccccc21)c1nc(Cc2ccccc2)no1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N1CCc2ccccc21)c1nc(no1)[*:1]
C[C@H](NC(=O)N1CCc2ccccc21)c1nc(Cc2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCc2ccccc21)c1nc(C[*:1])no1
CSc1cccc(CN(C(=O)[C@H]2C[NH2+]CCO2)C(C)C)c1 CC(C)[*:1] CSc1cccc(c1)CN(C(=O)[C@H]1C[NH2+]CCO1)[*:1]
C[C@H](NC(=O)c1ccnc(OC2CCC2)c1)C(C)(C)C C1CC(C1)O[*:1] C[C@H](NC(=O)c1ccnc(c1)[*:1])C(C)(C)C
C[C@H](NC(=O)c1ccnc(OC2CCC2)c1)C(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)c1ccnc(c1)OC1CCC1)[*:1]
C[C@H](NC(=O)c1ccnc(OC2CCC2)c1)C(C)(C)C C1CC(C1)[*:1] C[C@H](NC(=O)c1ccnc(c1)O[*:1])C(C)(C)C
C[C@H](NC(=O)c1ccnc(OC2CCC2)c1)C(C)(C)C C[C@H](C(C)(C)C)[*:1] O=C(N[*:1])c1ccnc(c1)OC1CCC1
Cc1noc(C)c1CC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 Cc1noc(C)c1C[*:1] O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)[*:1]
Cc1noc(C)c1CC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 C1C[C@@H](CO1)[*:1] Cc1noc(C)c1CC(=O)NC[C@H](N1CCOCC1)[*:1]
Cc1noc(C)c1CC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 Cc1noc(C)c1[*:1] O=C(C[*:1])NC[C@H]([C@H]1CCOC1)N1CCOCC1
Cc1noc(C)c1CC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1 C1CN(CCO1)[*:1] Cc1noc(C)c1CC(=O)NC[C@H]([C@H]1CCOC1)[*:1]
CC(C)N(Cc1cccc(N)c1)C(=O)N1CCC[C@@H](C)C1 Nc1cccc(c1)[*:1] CC(C)N(C[*:1])C(=O)N1CCC[C@@H](C)C1
CC(C)N(Cc1cccc(N)c1)C(=O)N1CCC[C@@H](C)C1 CC(C)[*:1] C[C@@H]1CCCN(C1)C(=O)N(Cc1cccc(N)c1)[*:1]
O=C([O-])CSc1ccc(Br)cn1 O=C([O-])C[*:1] Brc1ccc(nc1)S[*:1]
O=C([O-])CSc1ccc(Br)cn1 O=C([O-])[*:1] Brc1ccc(nc1)SC[*:1]
CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(C)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(C)CCNC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(C)CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(C)C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
C[C@@H]1CN(CCOC(C)(C)C)CC(C)(C)O1 CC(C)(C)O[*:1] C[C@@H]1CN(CC[*:1])CC(C)(C)O1
C[C@@H]1CN(CCOC(C)(C)C)CC(C)(C)O1 CC(C)(C)[*:1] C[C@@H]1CN(CCO[*:1])CC(C)(C)O1
C#Cc1cc(F)c(NC(=O)NC[C@H](C)Nc2ccccc2)c(F)c1 c1ccc(cc1)N[*:1] C#Cc1cc(F)c(NC(=O)NC[C@H](C)[*:1])c(F)c1
C#Cc1cc(F)c(NC(=O)NC[C@H](C)Nc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] C#Cc1cc(F)c(NC(=O)NC[C@H](C)N[*:1])c(F)c1
CCC[C@H](O)CC[C@H](O)CC CCC[*:1] CC[C@@H](O)CC[C@@H](O)[*:1]
CCSc1nc2sc3c(c2c2nncn12)CCN(Cc1ccccc1)C3 c1ccc(cc1)C[*:1] CCSc1nc2sc3CN(CCc3c2c2nncn12)[*:1]
CCSc1nc2sc3c(c2c2nncn12)CCN(Cc1ccccc1)C3 CCS[*:1] c1ccc(cc1)CN1CCc2c(C1)sc1nc(n3cnnc3c21)[*:1]
CCSc1nc2sc3c(c2c2nncn12)CCN(Cc1ccccc1)C3 c1ccc(cc1)[*:1] CCSc1nc2sc3CN(CCc3c2c2nncn12)C[*:1]
C[C@H](CO)CSCc1cc(Br)ccc1F C[C@H](CO)[*:1] Fc1ccc(Br)cc1CSC[*:1]
C[C@H](CO)CSCc1cc(Br)ccc1F C[C@H](CO)C[*:1] Fc1ccc(Br)cc1CS[*:1]
Cc1ccc(C)c(Cn2nnc(C(=O)[O-])c2-c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] Cc1ccc(C)c(c1)Cn1nnc(C(=O)[O-])c1[*:1]
Cc1ccc(C)c(Cn2nnc(C(=O)[O-])c2-c2cccc(Cl)c2)c1 Cc1ccc(C)c(c1)[*:1] O=C([O-])c1nnn(C[*:1])c1-c1cccc(Cl)c1
Cc1ccc(C)c(Cn2nnc(C(=O)[O-])c2-c2cccc(Cl)c2)c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)Cn1nnc(c1-c1cccc(Cl)c1)[*:1]
O=C(Cn1nc(-c2ccccc2)ccc1=O)Oc1cccc2ccccc12 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Oc1cccc2ccccc12
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O C=CCNC(=O)[*:1] COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)[*:1]
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O C=CC[*:1] COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)N[*:1]
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O COc1ccccc1O[*:1] C=CCNC(=O)/C(C#N)=C/c1c(nc2c(C)cccn2c1=O)[*:1]
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O C=CCNC(=O)C(C#N)=C[*:1] COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1[*:1]
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O COc1ccccc1[*:1] C=CCNC(=O)/C(C#N)=C/c1c(nc2c(C)cccn2c1=O)O[*:1]
CC[C@H](C(=O)NC(C)(C)C)n1cccc(OC)c1=O CC(C)(C)[*:1] CC[C@H](C(=O)N[*:1])n1cccc(OC)c1=O
Cc1ccc2c(c1)CCN2C(=O)Cc1csc(NC(=O)C(C)(C)C)n1 CC(C)(C)[*:1] Cc1ccc2c(c1)CCN2C(=O)Cc1csc(n1)NC(=O)[*:1]
Cc1ccc2c(c1)CCN2C(=O)Cc1csc(NC(=O)C(C)(C)C)n1 CC(C)(C)C(=O)N[*:1] Cc1ccc2c(c1)CCN2C(=O)Cc1csc(n1)[*:1]
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccn2)c1C Cc1cccc(c1C)[*:1] O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccn1)N[*:1]
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccn2)c1C c1ccc(nc1)[*:1] Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[*:1])c1C
O=C(Nc1cc(-n2cccc2)ccc1F)c1ncoc1-c1ccco1 c1coc(c1)[*:1] O=C(Nc1cc(ccc1F)-n1cccc1)c1ncoc1[*:1]
O=C(Nc1cc(-n2cccc2)ccc1F)c1ncoc1-c1ccco1 c1ccn(c1)[*:1] O=C(Nc1cc(ccc1F)[*:1])c1ncoc1-c1ccco1
CCOCCn1c(-c2ccccn2)noc1=O CCO[*:1] O=c1onc(-c2ccccn2)n1CC[*:1]
CCOCCn1c(-c2ccccn2)noc1=O CCOC[*:1] O=c1onc(-c2ccccn2)n1C[*:1]
CCOCCn1c(-c2ccccn2)noc1=O CCOCC[*:1] O=c1onc(-c2ccccn2)n1[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)CSCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)CSC[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)CSCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)CS[*:1]
O=C(NCc1cccc(CN2CCCC2=O)c1)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1cccc(c1)CN1CCCC1=O)[C@H](O)[*:1]
O=C(NCc1cccc(CN2CCCC2=O)c1)[C@H](O)c1ccccc1 O=C1CCCN1[*:1] O=C(NCc1cccc(c1)C[*:1])[C@H](O)c1ccccc1
O=C(NCc1cccc(CN2CCCC2=O)c1)[C@H](O)c1ccccc1 O=C1CCCN1C[*:1] O=C(NCc1cccc(c1)[*:1])[C@H](O)c1ccccc1
O=C(NCc1cccc(CN2CCCC2=O)c1)[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] O=C1CCCN1Cc1cccc(c1)CNC(=O)[*:1]
CCc1ccc([C@@H](C)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 C1CC1[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCc1ccc([C@@H](C)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)C1CC1)[*:1]
CCc1ccc([C@@H](C)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 O=C(N[*:1])C1CC1 CCc1ccc(cc1)[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CSCc2cc(=O)n3ccccc3n2)cc1C Cc1ccc(cc1C)[*:1] O=C(CSCc1cc(=O)n2ccccc2n1)N[*:1]
COC(=O)C[C@H]1Cn2ncnc2NC1=O COC(=O)[*:1] O=C1Nc2ncnn2C[C@@H]1C[*:1]
COC(=O)C[C@H]1Cn2ncnc2NC1=O COC(=O)C[*:1] O=C1Nc2ncnn2C[C@@H]1[*:1]
CN(Cc1ccccc1-c1ccccc1)C(=O)Cc1cccc(OCC#N)c1 N#CC[*:1] CN(Cc1ccccc1-c1ccccc1)C(=O)Cc1cccc(c1)O[*:1]
CN(Cc1ccccc1-c1ccccc1)C(=O)Cc1cccc(OCC#N)c1 c1ccc(cc1)[*:1] CN(Cc1ccccc1[*:1])C(=O)Cc1cccc(c1)OCC#N
CN(Cc1ccccc1-c1ccccc1)C(=O)Cc1cccc(OCC#N)c1 N#CCO[*:1] CN(Cc1ccccc1-c1ccccc1)C(=O)Cc1cccc(c1)[*:1]
Cc1ccc(F)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 O=c1[nH]c2ccc(cc2[nH]1)[*:1] Cc1ccc(F)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)[*:1]
Cc1ccc(F)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 Cc1ccc(F)cc1[*:1] O=C(N[*:1])c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
CCOc1ccc(NC(=O)C(=O)NCCc2cccc(F)c2)c(C)c1 Fc1cccc(c1)[*:1] CCOc1ccc(NC(=O)C(=O)NCC[*:1])c(C)c1
CCOc1ccc(NC(=O)C(=O)NCCc2cccc(F)c2)c(C)c1 Fc1cccc(c1)C[*:1] CCOc1ccc(NC(=O)C(=O)NC[*:1])c(C)c1
CCOc1ccc(NC(=O)C(=O)NCCc2cccc(F)c2)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)C(=O)NCCc1cccc(F)c1)[*:1]
CCn1nnc2cc(C(=O)Oc3ccc(-n4cnnn4)cc3)ccc21 c1nnnn1[*:1] CCn1nnc2cc(ccc21)C(=O)Oc1ccc(cc1)[*:1]
O[C@H](Cn1nnc2cc(Cl)c(Cl)cc21)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](Cn1nnc2cc(Cl)c(Cl)cc21)[*:1]
Cn1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c1 Cn1ccc(c1)[*:1] O=C([O-])[C@@H]1C=C[C@@H](C1)NS(=O)(=O)[*:1]
Cn1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c1 O=C([O-])[*:1] Cn1ccc(c1)S(=O)(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CCCNC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(OC)cc3)=C2C)CC1 COc1ccc(cc1)[*:1] CCCNC(=O)C1CCN(CC1)C1=NS(=O)(=O)C(=C1C)[*:1]
CCCNC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(OC)cc3)=C2C)CC1 CCC[*:1] COc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCC(CC1)C(=O)N[*:1]
CCCNC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(OC)cc3)=C2C)CC1 CCCNC(=O)[*:1] COc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCC(CC1)[*:1]
COc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
COc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
COc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
COc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC(N)=O FC(F)(F)[*:1] COc1cc(ccc1OCC(N)=O)C(=O)Nc1ccc(Cl)c(c1)[*:1]
C[C@H](C(=O)Nc1ccc(I)cc1)[C@H]1Sc2ccccc2NC1=O Ic1ccc(cc1)[*:1] C[C@H](C(=O)N[*:1])[C@H]1Sc2ccccc2NC1=O
CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3C=c4ccccc4=[NH+]3)C2)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)[C@H]1C=c2ccccc2=[NH+]1
CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3C=c4ccccc4=[NH+]3)C2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CCCN(C1)C(=O)[C@H]1C=c2ccccc2=[NH+]1
C#CCN/C(NC[C@](C)(O)c1cnn(C)c1)=[NH+]/CC Cn1cc(cn1)[*:1] C#CCN/C(NC[C@](C)(O)[*:1])=[NH+]/CC
C#CCN/C(NC[C@](C)(O)c1cnn(C)c1)=[NH+]/CC C#CC[*:1] CC/[NH+]=C(\NC[C@](C)(O)c1cnn(C)c1)N[*:1]
CN1c2ccsc2/C(=N/Nc2ccc(F)cc2)CS1(=O)=O Fc1ccc(cc1)[*:1] CN1c2ccsc2/C(CS1(=O)=O)=N/N[*:1]
C=CCN1CCN(C(=O)c2csc(-c3cccc(OC)c3)n2)CC1 C=CC[*:1] COc1cccc(c1)-c1nc(cs1)C(=O)N1CCN(CC1)[*:1]
C=CCN1CCN(C(=O)c2csc(-c3cccc(OC)c3)n2)CC1 COc1cccc(c1)[*:1] C=CCN1CCN(CC1)C(=O)c1csc(n1)[*:1]
Cc1cc(N2C[C@H]3[C@@H](C2)OC(=O)N3CCc2ccccn2)c2ccccc2[nH+]1 c1ccc(CC[*:1])nc1 Cc1cc(c2ccccc2[nH+]1)N1C[C@H]2[C@@H](C1)OC(=O)N2[*:1]
Cc1cc(N2C[C@H]3[C@@H](C2)OC(=O)N3CCc2ccccn2)c2ccccc2[nH+]1 c1ccc(C[*:1])nc1 Cc1cc(c2ccccc2[nH+]1)N1C[C@H]2[C@@H](C1)OC(=O)N2C[*:1]
Cc1cc(N2C[C@H]3[C@@H](C2)OC(=O)N3CCc2ccccn2)c2ccccc2[nH+]1 c1ccc(nc1)[*:1] Cc1cc(c2ccccc2[nH+]1)N1C[C@H]2[C@@H](C1)OC(=O)N2CC[*:1]
C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CN(C)CCO1 c1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1cn(CCC#N)nc1[*:1])[C@@H]1CN(C)CCO1
C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CN(C)CCO1 N#CCC[*:1] C[C@H]([NH2+]Cc1cn(nc1-c1ccccc1)[*:1])[C@@H]1CN(C)CCO1
C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CN(C)CCO1 N#CC[*:1] C[C@H]([NH2+]Cc1cn(C[*:1])nc1-c1ccccc1)[C@@H]1CN(C)CCO1
Cc1ccccc1N1CCN(C(=O)c2cccc3ccccc23)CC1 Cc1ccccc1[*:1] O=C(c1cccc2ccccc12)N1CCN(CC1)[*:1]
CCc1nc2cc(NC(C)=O)cc(C(=O)N3CCC[C@H](c4ccccc4C)C3)c2n1Cc1cccnc1 CC(=O)N[*:1] CCc1nc2cc(cc(C(=O)N3CCC[C@@H](C3)c3ccccc3C)c2n1Cc1cccnc1)[*:1]
CCc1nc2cc(NC(C)=O)cc(C(=O)N3CCC[C@H](c4ccccc4C)C3)c2n1Cc1cccnc1 c1cncc(c1)[*:1] CCc1nc2cc(cc(C(=O)N3CCC[C@@H](C3)c3ccccc3C)c2n1C[*:1])NC(C)=O
CCc1nc2cc(NC(C)=O)cc(C(=O)N3CCC[C@H](c4ccccc4C)C3)c2n1Cc1cccnc1 c1cncc(c1)C[*:1] CCc1nc2cc(cc(C(=O)N3CCC[C@@H](C3)c3ccccc3C)c2n1[*:1])NC(C)=O
CCc1nc2cc(NC(C)=O)cc(C(=O)N3CCC[C@H](c4ccccc4C)C3)c2n1Cc1cccnc1 Cc1ccccc1[*:1] CCc1nc2cc(cc(C(=O)N3CCC[C@H](C3)[*:1])c2n1Cc1cccnc1)NC(C)=O
CCC[NH2+][C@H](c1cc(F)cc(F)c1)[C@]1(C)CCCO1 CCC[*:1] C[C@]1(CCCO1)[C@H]([NH2+][*:1])c1cc(F)cc(F)c1
CNS(=O)(=O)c1cc(-c2ccc(Nc3ccc(F)cc3F)nn2)ccc1C Fc1ccc(N[*:1])c(F)c1 CNS(=O)(=O)c1cc(ccc1C)-c1ccc(nn1)[*:1]
CNS(=O)(=O)c1cc(-c2ccc(Nc3ccc(F)cc3F)nn2)ccc1C CNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])-c1ccc(nn1)Nc1ccc(F)cc1F
CNS(=O)(=O)c1cc(-c2ccc(Nc3ccc(F)cc3F)nn2)ccc1C Fc1ccc(c(F)c1)[*:1] CNS(=O)(=O)c1cc(ccc1C)-c1ccc(nn1)N[*:1]
CONC(=O)c1ccccc1C(=O)c1ccccc1 CONC(=O)[*:1] O=C(c1ccccc1)c1ccccc1[*:1]
CONC(=O)c1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CONC(=O)c1ccccc1C(=O)[*:1]
Cn1nncc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] Cn1nncc1C[NH+]1CCC(CC1)C(=O)N[*:1]
Cn1nncc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 Cn1nncc1[*:1] O=C(Nc1ccc(Br)cc1)C1CC[NH+](CC1)C[*:1]
Cc1cccc(OCCBr)c1 BrCC[*:1] Cc1cccc(c1)O[*:1]
CCc1nn(C)cc1C(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C CC(C)[*:1] CCc1nn(C)cc1C(=O)N[C@@H]1C[C@@H](C)CC[C@H]1[*:1]
COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H](N(C)C(=O)C[C@@H]1NC(=O)NC1=O)[*:1]
COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 COc1ccc(cc1)[*:1] CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@@H](C(=O)N[*:1])c1ccccc1
O=C(NC[C@H]1CCC[C@H](O)C1)C(=O)Nc1cccc(SC(F)F)c1 FC(F)S[*:1] O=C(NC[C@H]1CCC[C@H](O)C1)C(=O)Nc1cccc(c1)[*:1]
O=C(NC[C@H]1CCC[C@H](O)C1)C(=O)Nc1cccc(SC(F)F)c1 FC(F)[*:1] O=C(NC[C@H]1CCC[C@H](O)C1)C(=O)Nc1cccc(c1)S[*:1]
COc1ccc(C(=O)NCCCC(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)CCCNC(=O)[*:1]
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2C(=O)c2cccs2)c1 O=C(c1cccs1)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccccc1[*:1]
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2C(=O)c2cccs2)c1 c1csc(c1)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccccc1C(=O)[*:1]
C[NH+](Cc1ccc(C(N)=[NH2+])cc1F)C1CC1 C1CC1[*:1] C[NH+](Cc1ccc(cc1F)C(N)=[NH2+])[*:1]
C[NH+](Cc1ccc(C(N)=[NH2+])cc1F)C1CC1 NC(=[NH2+])[*:1] C[NH+](Cc1ccc(cc1F)[*:1])C1CC1
O=C1[C@H]2CCCC[C@@H]2C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C1[C@H]2CCCC[C@@H]2C(=O)N1CN1CCN(CC1)[*:1]
CC1(C)[C@]2(C(=O)Nc3ccc(I)cc3)CC[C@@]1(C)/C(=N/O)C2 Ic1ccc(cc1)[*:1] CC1(C)[C@@]2(CC[C@@]1(C)/C(C2)=N/O)C(=O)N[*:1]
CC[C@@H](C)[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C(=O)[O-] FC(F)(F)[*:1] CC[C@@H](C)[C@H](NC(=O)Cn1ccc(n1)[*:1])C(=O)[O-]
CC[C@@H](C)[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C(=O)[O-] CC[C@@H](C)[*:1] O=C(Cn1ccc(n1)C(F)(F)F)N[C@H](C(=O)[O-])[*:1]
CC[C@@H](C)[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@H](NC(=O)Cn1ccc(n1)C(F)(F)F)[*:1]
CCOc1ccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)c1nc2ccccc2o1)C(=O)N[*:1]
CCOc1ccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1 CCO[*:1] O=C(NCC1CCN(CC1)c1nc2ccccc2o1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1 c1ccc2oc(nc2c1)[*:1] CCOc1ccc(cc1)NC(=O)C(=O)NCC1CCN(CC1)[*:1]
COc1cc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(/C=c2\sc3nc(nn3c2=O)[*:1])cc(OC)c1OC
CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)CC)cc2)sc2cc([N+](=O)[O-])ccc21 CCS(=O)(=O)[*:1] CCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cc(ccc21)[N+](=O)[O-]
CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)CC)cc2)sc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CCn1/c(=N/C(=O)c2ccc(cc2)S(=O)(=O)CC)sc2cc(ccc21)[*:1]
O=C(CCCc1nc2ccccc2s1)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCCc1nc2ccccc2s1)NC[*:1]
O=C(CCCc1nc2ccccc2s1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCCc1nc2ccccc2s1)NCC[*:1]
CCCCn1c(=O)c2sccc2n2c(CCC(=O)NC3CC3)nnc12 O=C(CC[*:1])NC1CC1 CCCCn1c(=O)c2sccc2n2c(nnc12)[*:1]
CCCCn1c(=O)c2sccc2n2c(CCC(=O)NC3CC3)nnc12 C1CC1[*:1] CCCCn1c(=O)c2sccc2n2c(CCC(=O)N[*:1])nnc12
CCCCn1c(=O)c2sccc2n2c(CCC(=O)NC3CC3)nnc12 O=C(NC1CC1)[*:1] CCCCn1c(=O)c2sccc2n2c(CC[*:1])nnc12
CCCCn1c(=O)c2sccc2n2c(CCC(=O)NC3CC3)nnc12 CCCC[*:1] O=C(CCc1nnc2n(c(=O)c3sccc3n12)[*:1])NC1CC1
CCCCn1c(=O)c2sccc2n2c(CCC(=O)NC3CC3)nnc12 O=C(C[*:1])NC1CC1 CCCCn1c(=O)c2sccc2n2c(C[*:1])nnc12
CCCCn1c(=O)c2sccc2n2c(CCC(=O)NC3CC3)nnc12 CCC[*:1] O=C(CCc1nnc2n(C[*:1])c(=O)c3sccc3n12)NC1CC1
O=S(=O)(c1ccccc1Br)N1CCN(c2nc3ccccc3s2)CC1 Brc1ccccc1[*:1] O=S(=O)(N1CCN(CC1)c1nc2ccccc2s1)[*:1]
COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCC[C@H](C)C1 NS(=O)(=O)[*:1] COc1ccc(cc1C(=O)N[C@@H]1CCC[C@H](C)C1)[*:1]
CC1=C(C#N)[C@@](NC(=O)c2cccc([N+](=O)[O-])c2)(C(F)(F)F)C([O-])=N1 FC(F)(F)[*:1] CC1N=C([O-])[C@](NC(=O)c2cccc(c2)[N+](=O)[O-])(C=1C#N)[*:1]
CC1=C(C#N)[C@@](NC(=O)c2cccc([N+](=O)[O-])c2)(C(F)(F)F)C([O-])=N1 O=[N+]([O-])[*:1] CC1N=C([O-])[C@@](NC(=O)c2cccc(c2)[*:1])(C=1C#N)C(F)(F)F
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 CCO[*:1] CC(C)c1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 CC(C)c1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 CCOc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 CC(C)[*:1] CCOc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
COCC[NH2+]Cc1cn([C@H]2CCO[C@@]3(CCOC3)C2)nn1 COC[*:1] c1c(C[NH2+]C[*:1])nnn1[C@H]1CCO[C@@]2(CCOC2)C1
COCC[NH2+]Cc1cn([C@H]2CCO[C@@]3(CCOC3)C2)nn1 COCC[*:1] c1c(C[NH2+][*:1])nnn1[C@H]1CCO[C@@]2(CCOC2)C1
COc1ccccc1C(=O)NCC(=O)NCc1ccc(NC(C)=O)cc1 COc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)CNC(=O)CNC(=O)[*:1]
COc1ccccc1C(=O)NCC(=O)NCc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] COc1ccccc1C(=O)NCC(=O)NCc1ccc(cc1)[*:1]
O=C1CC[C@@H](COC(=O)/C=C/c2ccco2)N1 c1coc(c1)[*:1] O=C1CC[C@@H](COC(=O)C=C[*:1])N1
C[NH2+]C[C@H](CCOC(C)C)c1cccc(C)c1 CC(C)O[*:1] C[NH2+]C[C@H](CC[*:1])c1cccc(C)c1
C[NH2+]C[C@H](CCOC(C)C)c1cccc(C)c1 CC(C)OC[*:1] C[NH2+]C[C@H](C[*:1])c1cccc(C)c1
C[NH2+]C[C@H](CCOC(C)C)c1cccc(C)c1 CC(C)[*:1] C[NH2+]C[C@H](CCO[*:1])c1cccc(C)c1
CCc1nn(-c2cc(F)c(F)c(F)c2)c(Cl)c1C(=O)[O-] O=C([O-])[*:1] CCc1nn(-c2cc(F)c(F)c(F)c2)c(Cl)c1[*:1]
CC(C)N(C)c1ccc(NC(=O)NCc2cn3ccsc3n2)cc1F c1cn2cc(nc2s1)[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)NC[*:1]
CC(C)N(C)c1ccc(NC(=O)NCc2cn3ccsc3n2)cc1F CC(C)N(C)[*:1] O=C(NCc1cn2ccsc2n1)Nc1ccc(c(F)c1)[*:1]
CC(C)N(C)c1ccc(NC(=O)NCc2cn3ccsc3n2)cc1F CC(C)[*:1] CN(c1ccc(cc1F)NC(=O)NCc1cn2ccsc2n1)[*:1]
CC(=O)c1ccc(S(=O)(=O)NCc2ccsc2)cc1 c1cc(cs1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
CC(=O)c1ccc(S(=O)(=O)NCc2ccsc2)cc1 c1cc(cs1)C[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CC(=O)c1ccc(S(=O)(=O)NCc2ccsc2)cc1 CC(=O)[*:1] O=S(=O)(NCc1ccsc1)c1ccc(cc1)[*:1]
N#Cc1csc(C(=O)Nc2ccccc2NCC(F)(F)F)c1 FC(F)(F)C[*:1] N#Cc1csc(c1)C(=O)Nc1ccccc1N[*:1]
N#Cc1csc(C(=O)Nc2ccccc2NCC(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1csc(c1)C(=O)Nc1ccccc1NC[*:1]
N#Cc1csc(C(=O)Nc2ccccc2NCC(F)(F)F)c1 FC(F)(F)CN[*:1] N#Cc1csc(c1)C(=O)Nc1ccccc1[*:1]
N#Cc1csc(C(=O)Nc2ccccc2NCC(F)(F)F)c1 N#Cc1csc(c1)[*:1] O=C(Nc1ccccc1NCC(F)(F)F)[*:1]
CC(C)C(=O)Nc1ccc(CNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 CC(C)C(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])[C@H]1CCCCN1C(=O)c1cccs1
CC(C)C(=O)Nc1ccc(CNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)NC(=O)[*:1])[C@H]1CCCCN1C(=O)c1cccs1
CC(C)C(=O)Nc1ccc(CNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 c1csc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)CNC(=O)[C@H]1CCCCN1C(=O)[*:1]
COCCCC(CO)(CO)c1ccc(C)cc1 COCCC[*:1] Cc1ccc(cc1)C(CO)(CO)[*:1]
COCCCC(CO)(CO)c1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)C(CO)(CO)C[*:1]
COCCCC(CO)(CO)c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)C(CO)(CO)CC[*:1]
CCCNC(=O)Nc1ccc(-c2noc(-c3sccc3C)n2)cc1 CCC[*:1] Cc1ccsc1-c1nc(no1)-c1ccc(cc1)NC(=O)N[*:1]
CCCNC(=O)Nc1ccc(-c2noc(-c3sccc3C)n2)cc1 Cc1ccsc1[*:1] CCCNC(=O)Nc1ccc(cc1)-c1noc(n1)[*:1]
CCCNC(=O)Nc1ccc(-c2noc(-c3sccc3C)n2)cc1 CCCNC(=O)N[*:1] Cc1ccsc1-c1nc(no1)-c1ccc(cc1)[*:1]
Cc1cccc2c1N(C(=O)c1cccc(CN3CCCC3=O)c1)CCC2 O=C1CCCN1[*:1] Cc1cccc2CCCN(C(=O)c3cccc(c3)C[*:1])c12
Cc1cccc2c1N(C(=O)c1cccc(CN3CCCC3=O)c1)CCC2 O=C1CCCN1C[*:1] Cc1cccc2CCCN(C(=O)c3cccc(c3)[*:1])c12
Cc1ccc(C[C@@H](C)NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)s1 CC(C)(C)[*:1] Cc1ccc(C[C@@H](C)NC(=O)[C@@H]2C[C@H](O)CN2C(=O)O[*:1])s1
Cc1ccc(C[C@@H](C)NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)s1 Cc1ccc(s1)[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C
Cc1ccc(C[C@@H](C)NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)s1 Cc1ccc(C[*:1])s1 C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)[*:1]
CC[C@](C)(NC(=O)Cc1ccc(F)cc1F)c1nccs1 c1csc(n1)[*:1] CC[C@](C)(NC(=O)Cc1ccc(F)cc1F)[*:1]
COc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)CC1 COc1ccccc1[*:1] C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1 Cc1ccc(cc1)[*:1] C[C@@]12C[C@@H](NC(=O)N1[*:1])c1cc(Br)ccc1O2
C/C(=C/CC[NH2+]C(C)C)C1C[C@@H](C)C[C@H](C)C1 CC(C)[*:1] C/C(=C/CC[NH2+][*:1])C1C[C@@H](C)C[C@H](C)C1
Cc1ccccc1-c1cc(C(=O)NCC(C)(C)C[NH+](C)C)c2cnn(C(C)C)c2n1 Cc1ccccc1[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)NCC(C)(C)C[NH+](C)C
Cc1ccccc1-c1cc(C(=O)NCC(C)(C)C[NH+](C)C)c2cnn(C(C)C)c2n1 CC(C)[*:1] Cc1ccccc1-c1cc(C(=O)NCC(C)(C)C[NH+](C)C)c2cnn(c2n1)[*:1]
C[S@@](=O)c1ccc(C(=O)O[C@@H](c2ccccc2)c2ccncc2)cc1 C[S@@](=O)[*:1] O=C(O[C@@H](c1ccccc1)c1ccncc1)c1ccc(cc1)[*:1]
C[S@@](=O)c1ccc(C(=O)O[C@@H](c2ccccc2)c2ccncc2)cc1 c1cc(ccn1)[*:1] C[S@@](=O)c1ccc(cc1)C(=O)O[C@@H](c1ccccc1)[*:1]
C[S@@](=O)c1ccc(C(=O)O[C@@H](c2ccccc2)c2ccncc2)cc1 c1ccc(cc1)[*:1] C[S@@](=O)c1ccc(cc1)C(=O)O[C@@H](c1ccncc1)[*:1]
CC(C)[C@H]1CCC[C@H]([C@@H](C)O)CC1 C[C@@H](O)[*:1] CC(C)[C@H]1CCC[C@H](CC1)[*:1]
CC(C)[C@H]1CCC[C@H]([C@@H](C)O)CC1 CC(C)[*:1] C[C@@H](O)[C@H]1CCC[C@@H](CC1)[*:1]
CCn1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] CCn1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c2nn(c(=O)c-2c1)[*:1]
COc1ccc(C(C)=O)c(OCC(=O)Nc2ccnn2C2CCCC2)c1 C1CCC(C1)[*:1] COc1ccc(C(C)=O)c(c1)OCC(=O)Nc1ccnn1[*:1]
COc1ccc(C(C)=O)c(OCC(=O)Nc2ccnn2C2CCCC2)c1 CC(=O)[*:1] COc1ccc(c(c1)OCC(=O)Nc1ccnn1C1CCCC1)[*:1]
CNC(=O)Cn1nc(C)c2cnn(-c3ccccc3)c2c1=O CNC(=O)C[*:1] Cc1nn(c(=O)c2c1cnn2-c1ccccc1)[*:1]
CNC(=O)Cn1nc(C)c2cnn(-c3ccccc3)c2c1=O CNC(=O)[*:1] Cc1nn(C[*:1])c(=O)c2c1cnn2-c1ccccc1
CNC(=O)Cn1nc(C)c2cnn(-c3ccccc3)c2c1=O c1ccc(cc1)[*:1] CNC(=O)Cn1nc(C)c2cnn(c2c1=O)[*:1]
CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccc(OC)c2)c1=O C1CCN(C1)[*:1] CCCn1c(=O)c2sc(nc2n(CC(=O)Nc2cccc(c2)OC)c1=O)[*:1]
CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccc(OC)c2)c1=O COc1cccc(c1)[*:1] CCCn1c(=O)c2sc(nc2n(CC(=O)N[*:1])c1=O)N1CCCC1
CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccc(OC)c2)c1=O CCC[*:1] COc1cccc(c1)NC(=O)Cn1c(=O)n(c(=O)c2sc(nc21)N1CCCC1)[*:1]
C/C(=C\C(=O)NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(=CC(=O)NCC(=O)N[C@H]1CCS(=O)(=O)C1)[*:1]
CC(C)Oc1ccc(NC(=O)Nc2cnn(C)c2)cc1Cl CC(C)[*:1] Cn1cc(cn1)NC(=O)Nc1ccc(O[*:1])c(Cl)c1
CC(C)Oc1ccc(NC(=O)Nc2cnn(C)c2)cc1Cl CC(C)O[*:1] Cn1cc(cn1)NC(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(C)Oc1ccc(NC(=O)Nc2cnn(C)c2)cc1Cl Cn1cc(cn1)[*:1] CC(C)Oc1ccc(cc1Cl)NC(=O)N[*:1]
C[C@H]1CCC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] C[C@H]1CCC[C@@H]1[NH2+]CCc1nc(cs1)[*:1]
O=C(OCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccco1 O=[N+]([O-])[*:1] O=C(OCc1ccc(o1)-c1cccc(c1)[*:1])c1ccco1
O=C(OCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccco1 c1coc(c1)[*:1] O=C(OCc1ccc(o1)-c1cccc(c1)[N+](=O)[O-])[*:1]
O=C(Nc1ccccn1)c1ccc2c(c1)S(=O)(=O)N(C1CCCCC1)C2=O C1CCC(CC1)[*:1] O=C(Nc1ccccn1)c1ccc2C(=O)N(S(=O)(=O)c2c1)[*:1]
O=C(Nc1ccccn1)c1ccc2c(c1)S(=O)(=O)N(C1CCCCC1)C2=O c1ccc(nc1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(C3CCCCC3)S(=O)(=O)c2c1
O=C(Nc1ccccn1)c1ccc2c(c1)S(=O)(=O)N(C1CCCCC1)C2=O O=C(Nc1ccccn1)[*:1] O=C1c2ccc(cc2S(=O)(=O)N1C1CCCCC1)[*:1]
COc1ncccc1C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] COc1ncccc1C(=O)N[C@@](C)(C(=O)[O-])[*:1]
CCCCCC(C)(C)CNC(=O)[C@@H]1CC[C@H]([NH3+])[C@H](C)C1 CCCCC[*:1] C[C@@H]1C[C@@H](CC[C@@H]1[NH3+])C(=O)NCC(C)(C)[*:1]
CCCCCC(C)(C)CNC(=O)[C@@H]1CC[C@H]([NH3+])[C@H](C)C1 CCC[*:1] C[C@@H]1C[C@@H](CC[C@@H]1[NH3+])C(=O)NCC(C)(C)CC[*:1]
CCCCCC(C)(C)CNC(=O)[C@@H]1CC[C@H]([NH3+])[C@H](C)C1 CCCC[*:1] C[C@@H]1C[C@@H](CC[C@@H]1[NH3+])C(=O)NCC(C)(C)C[*:1]
COc1ccc(OC)c([C@@H](O)CN2CCN(C(=O)c3cccc(F)c3)CC2)c1 Fc1cccc(c1)[*:1] COc1ccc(OC)c(c1)[C@@H](O)CN1CCN(CC1)C(=O)[*:1]
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c3O[C@H](C)[C@H]4C)cc2)nc(C)n1 Cc1cc(nc(C)n1)[*:1] C[C@H]1c2cccc(C(=O)Nc3ccc(cc3)S(=O)(=O)N[*:1])c2O[C@@H]1C
CC(C)(C)Oc1cc(CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])ccn1 O=[N+]([O-])[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)[C@H]1C[C@@H]1[*:1]
CC(C)(C)Oc1cc(CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])[C@H]1C[C@H]1[N+](=O)[O-]
CC(C)(C)Oc1cc(CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])[C@H]1C[C@H]1[N+](=O)[O-]
CCCc1nc(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)n[nH]1 CCC[*:1] CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1n[nH]c(n1)[*:1]
O=C1NN=C(c2ccccc2)C[C@@H]1Nc1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C1NN=C(C[C@@H]1Nc1ccc(Cl)cc1Cl)[*:1]
O=C(C1CC[NH+](Cc2cnc3cnccn23)CC1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(C1CC[NH+](CC1)Cc1cnc2cnccn12)N(C[*:1])C1CC1
O=C(C1CC[NH+](Cc2cnc3cnccn23)CC1)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(C1CC[NH+](CC1)Cc1cnc2cnccn12)N(Cc1ccccc1)[*:1]
O=C(C1CC[NH+](Cc2cnc3cnccn23)CC1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C(C1CC[NH+](CC1)Cc1cnc2cnccn12)N(C1CC1)[*:1]
O=C(C1CC[NH+](Cc2cnc3cnccn23)CC1)N(Cc1ccccc1)C1CC1 c1cn2c(cnc2cn1)[*:1] O=C(C1CC[NH+](CC1)C[*:1])N(Cc1ccccc1)C1CC1
Cc1cc(CC(=O)Nc2nc(C)c(SCC#N)s2)no1 N#CC[*:1] Cc1cc(CC(=O)Nc2nc(C)c(S[*:1])s2)no1
Cc1cc(CC(=O)Nc2nc(C)c(SCC#N)s2)no1 N#CCS[*:1] Cc1cc(CC(=O)Nc2nc(C)c(s2)[*:1])no1
Cc1cc(CC(=O)Nc2nc(C)c(SCC#N)s2)no1 Cc1cc(no1)[*:1] Cc1nc(NC(=O)C[*:1])sc1SCC#N
COCc1cccc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] COCc1cccc(c1)[N-]S(=O)(=O)C=C[*:1]
COCc1cccc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)c1 COC[*:1] O=S(=O)(/C=C/c1ccc(Br)cc1)[N-]c1cccc(c1)[*:1]
COc1cccc(Nc2nnc(S[C@@H](C)C(=O)N3CCc4ccccc43)s2)c1 COc1cccc(c1)N[*:1] C[C@H](Sc1nnc(s1)[*:1])C(=O)N1CCc2ccccc21
COc1cccc(Nc2nnc(S[C@@H](C)C(=O)N3CCc4ccccc43)s2)c1 COc1cccc(c1)[*:1] C[C@H](Sc1nnc(N[*:1])s1)C(=O)N1CCc2ccccc21
O=C(NCCO)N[C@@H]1CCN(c2cccc(Cl)c2)C1 OCC[*:1] O=C(N[C@@H]1CCN(C1)c1cccc(Cl)c1)N[*:1]
C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 C=CCOc1cccc(c1)[*:1] Cc1cc2oc3C(=O)N(C[C@H]4CCCO4)[C@H](c3c(=O)c2cc1C)[*:1]
C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 C=CCO[*:1] Cc1cc2oc3C(=O)N(C[C@H]4CCCO4)[C@@H](c4cccc(c4)[*:1])c3c(=O)c2cc1C
C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 C=CC[*:1] Cc1cc2oc3C(=O)N(C[C@H]4CCCO4)[C@@H](c4cccc(c4)O[*:1])c3c(=O)c2cc1C
C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] C=CCOc1cccc(c1)[C@H]1c2c(oc3cc(C)c(C)cc3c2=O)C(=O)N1[*:1]
C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] C=CCOc1cccc(c1)[C@H]1c2c(oc3cc(C)c(C)cc3c2=O)C(=O)N1C[*:1]
Cc1ccc(C)c(NC(=O)Cc2csc(NC(=O)OCC(C)C)n2)c1 CC(C)COC(=O)N[*:1] Cc1ccc(C)c(c1)NC(=O)Cc1csc(n1)[*:1]
Cc1ccc(C)c(NC(=O)Cc2csc(NC(=O)OCC(C)C)n2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)NC(=O)Cc1csc(n1)NC(=O)OC[*:1]
Cc1ccc(C)c(NC(=O)Cc2csc(NC(=O)OCC(C)C)n2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)COC(=O)Nc1nc(cs1)CC(=O)N[*:1]
Cc1ccc(C)c(NC(=O)Cc2csc(NC(=O)OCC(C)C)n2)c1 CC(C)C[*:1] Cc1ccc(C)c(c1)NC(=O)Cc1csc(n1)NC(=O)O[*:1]
CS(=O)(=O)c1cccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1 CS(=O)(=O)[*:1] O=C(NCc1nc2ccc(F)cc2[nH]1)c1cccc(c1)[*:1]
CC[NH2+]C[C@@H](c1cc(Cl)ccc1OC)[C@@H](C)CC CC[C@H](C)[*:1] CC[NH2+]C[C@@H](c1cc(Cl)ccc1OC)[*:1]
COCC[NH2+]Cc1nc([C@H]2CSCCO2)no1 COCC[*:1] C1CSC[C@@H](O1)c1noc(C[NH2+][*:1])n1
COCC[NH2+]Cc1nc([C@H]2CSCCO2)no1 COC[*:1] C1CSC[C@@H](O1)c1noc(C[NH2+]C[*:1])n1
C=C(C)C[NH+](CC)Cc1cc(=O)oc2cc(OC)ccc12 C=C(C)[*:1] CC[NH+](Cc1cc(=O)oc2cc(ccc12)OC)C[*:1]
COc1ccccc1[C@H](CC(C)C)NCc1[nH]cc[nH+]1 CC(C)[*:1] COc1ccccc1[C@H](C[*:1])NCc1[nH]cc[nH+]1
COc1ccccc1[C@H](CC(C)C)NCc1[nH]cc[nH+]1 CC(C)C[*:1] COc1ccccc1[C@H](NCc1[nH]cc[nH+]1)[*:1]
COCCO/C([O-])=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Br)OCO2 COC[*:1] CC1=NC2CC(C)(C)CC(=O)C=2[C@H](/C1=C(\[O-])OC[*:1])c1cc2OCOc2cc1Br
COCCO/C([O-])=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Br)OCO2 COCCO[*:1] CC1=NC2CC(C)(C)CC(=O)C=2[C@H](C1=C([O-])[*:1])c1cc2OCOc2cc1Br
COCCO/C([O-])=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Br)OCO2 Brc1cc2OCOc2cc1[*:1] COCCO/C([O-])=C1\C(C)=NC2CC(C)(C)CC(=O)C=2[C@@H]1[*:1]
COCCO/C([O-])=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Br)OCO2 COCC[*:1] CC1=NC2CC(C)(C)CC(=O)C=2[C@H](/C1=C(\[O-])O[*:1])c1cc2OCOc2cc1Br
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccccc1Cn1cncn1 O=C1OCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1Cn1cncn1
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccccc1Cn1cncn1 c1ncn(C[*:1])n1 O=C(Nc1ccc(cc1)N1CCOC1=O)c1ccccc1[*:1]
O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccccc1Cn1cncn1 c1ncn(n1)[*:1] O=C(Nc1ccc(cc1)N1CCOC1=O)c1ccccc1C[*:1]
CCOc1c(Br)cc(C(=O)N2CCN(c3cnccn3)CC2)cc1OC c1cnc(cn1)[*:1] CCOc1c(Br)cc(cc1OC)C(=O)N1CCN(CC1)[*:1]
CCOc1c(Br)cc(C(=O)N2CCN(c3cnccn3)CC2)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])C(=O)N1CCN(CC1)c1cnccn1
Cc1cccc2c(C(=O)[O-])cc(=O)[nH]c12 O=C([O-])[*:1] Cc1cccc2c(cc(=O)[nH]c12)[*:1]
COC(=O)[C@H](C)NC(=O)c1cc(C(C)=O)c[nH]1 COC(=O)[*:1] CC(=O)c1c[nH]c(c1)C(=O)N[C@@H](C)[*:1]
COC(=O)[C@H](C)NC(=O)c1cc(C(C)=O)c[nH]1 CC(=O)[*:1] COC(=O)[C@H](C)NC(=O)c1cc(c[nH]1)[*:1]
COc1ccc(-c2nnc([C@H](C)OC(=O)c3cnc(C)cn3)o2)cc1 Cc1cnc(cn1)[*:1] COc1ccc(cc1)-c1nnc(o1)[C@H](C)OC(=O)[*:1]
COc1ccc(-c2nnc([C@H](C)OC(=O)c3cnc(C)cn3)o2)cc1 COc1ccc(cc1)[*:1] Cc1cnc(cn1)C(=O)O[C@@H](C)c1nnc(o1)[*:1]
CC[C@H](C)NC(=O)Cn1c(=O)n(-c2ccc(F)c(Cl)c2)c(=O)c2ccccc21 Fc1ccc(cc1Cl)[*:1] CC[C@H](C)NC(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
CC[C@H](C)NC(=O)Cn1c(=O)n(-c2ccc(F)c(Cl)c2)c(=O)c2ccccc21 CC[C@H](C)NC(=O)C[*:1] O=c1c2ccccc2n(c(=O)n1-c1ccc(F)c(Cl)c1)[*:1]
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)s1 Cc1ccc(s1)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)NC(=O)[*:1]
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)Nc1cccc(c1)S(=O)(=O)N(C)[*:1]
CC(C)[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 C1CC1[*:1] CC(C)[NH2+][C@@H](c1ccc(Br)cc1)[*:1]
CC(C)[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 CC(C)[*:1] Brc1ccc(cc1)[C@H]([NH2+][*:1])C1CC1
CCNc1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)s1 CCN[*:1] O=C(CSc1nnc(s1)[*:1])N1c2ccccc2CCc2ccccc21
CCNc1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)s1 CCNc1nnc(S[*:1])s1 O=C(C[*:1])N1c2ccccc2CCc2ccccc21
CCNc1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)s1 CCNc1nnc(s1)[*:1] O=C(CS[*:1])N1c2ccccc2CCc2ccccc21
CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H]3CCCO3)ccc21 C1CO[C@H](C1)C[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)C(=O)N[*:1]
CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H]3CCCO3)ccc21 C1CO[C@H](C1)[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)C(=O)NC[*:1]
CCOC(=O)c1nnsc1NC(=O)c1ccc(C)cc1C CCOC(=O)[*:1] Cc1ccc(C(=O)Nc2snnc2[*:1])c(C)c1
CC1CC(NC(=O)c2cccc(CN3CCCC3=O)c2)C1 CC1CC(C1)[*:1] O=C(N[*:1])c1cccc(c1)CN1CCCC1=O
CC1CC(NC(=O)c2cccc(CN3CCCC3=O)c2)C1 O=C1CCCN1[*:1] CC1CC(C1)NC(=O)c1cccc(c1)C[*:1]
CC1CC(NC(=O)c2cccc(CN3CCCC3=O)c2)C1 O=C1CCCN1C[*:1] CC1CC(C1)NC(=O)c1cccc(c1)[*:1]
Cc1cc(NC(=O)c2cccc(-c3ccoc3)c2)ccc1C(=O)N(C)C c1cc(co1)[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)c1cccc(c1)[*:1]
Cc1cc(NC(=O)c2cccc(-c3ccoc3)c2)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1cccc(c1)-c1ccoc1
NC(=O)C1(CNC(=O)[C@H]2CCCc3ccccc32)CCOCC1 NC(=O)[*:1] O=C(NCC1(CCOCC1)[*:1])[C@H]1CCCc2ccccc21
CC(C)COc1ncc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1Cl CC(C)[*:1] O=C(NCc1cnc(OC[*:1])c(Cl)c1)[C@@H]1C[C@H]2CC[C@@H]1O2
CC(C)COc1ncc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1Cl CC(C)CO[*:1] O=C(NCc1cnc(c(Cl)c1)[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
CC(C)COc1ncc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1Cl CC(C)C[*:1] O=C(NCc1cnc(O[*:1])c(Cl)c1)[C@@H]1C[C@H]2CC[C@@H]1O2
Cc1ccc2nc(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)sc2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(NC(=O)c3c(C)nn(c3Cl)[*:1])sc2c1
COc1cc(CO)cc(Br)c1OCCC(C)(C)O CC(C)(O)C[*:1] COc1cc(cc(Br)c1OC[*:1])CO
COc1cc(CO)cc(Br)c1OCCC(C)(C)O CC(C)(O)[*:1] COc1cc(cc(Br)c1OCC[*:1])CO
COc1cc(CO)cc(Br)c1OCCC(C)(C)O CC(C)(O)CC[*:1] COc1cc(cc(Br)c1O[*:1])CO
CCCn1ncc2c1NC(=O)C[C@H]2c1cc2cc(C)ccc2[nH]c1=O CCC[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)[C@@H]1CC(=O)Nc2c1cnn2[*:1]
CCCCO[C@H]1CCc2ccccc2[C@H]1[NH3+] CCCCO[*:1] [NH3+][C@@H]1c2ccccc2CC[C@@H]1[*:1]
CCCCO[C@H]1CCc2ccccc2[C@H]1[NH3+] CCC[*:1] [NH3+][C@@H]1c2ccccc2CC[C@@H]1OC[*:1]
CCCCO[C@H]1CCc2ccccc2[C@H]1[NH3+] CCCC[*:1] [NH3+][C@@H]1c2ccccc2CC[C@@H]1O[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC[C@@H]1[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)[*:1]
C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2o1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2o1)C[*:1]
C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2o1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2o1)[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)C1CCN(C(=O)c2ccoc2)CC1 CC(C)CC[*:1] O=C(N[C@@H]1CCC[C@@H]1[*:1])C1CCN(CC1)C(=O)c1ccoc1
CC(C)CC[C@H]1CCC[C@H]1NC(=O)C1CCN(C(=O)c2ccoc2)CC1 CC(C)C[*:1] O=C(N[C@@H]1CCC[C@@H]1C[*:1])C1CCN(CC1)C(=O)c1ccoc1
CC(C)CC[C@H]1CCC[C@H]1NC(=O)C1CCN(C(=O)c2ccoc2)CC1 CC(C)[*:1] O=C(N[C@@H]1CCC[C@@H]1CC[*:1])C1CCN(CC1)C(=O)c1ccoc1
CC(C)CC[C@H]1CCC[C@H]1NC(=O)C1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] CC(C)CC[C@H]1CCC[C@H]1NC(=O)C1CCN(CC1)C(=O)[*:1]
C[C@@H]([NH3+])C(C)(C)CN(C)CCC(F)(F)F FC(F)(F)C[*:1] C[C@@H]([NH3+])C(C)(C)CN(C)C[*:1]
C[C@@H]([NH3+])C(C)(C)CN(C)CCC(F)(F)F FC(F)(F)[*:1] C[C@@H]([NH3+])C(C)(C)CN(C)CC[*:1]
C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[*:1]
C[C@@H]1CN(c2cc(CNC(=O)Cc3ccc[nH]3)cc[nH+]2)CCO1 c1c[nH]c(c1)C[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)[*:1]
C[C@@H]1CN(c2cc(CNC(=O)Cc3ccc[nH]3)cc[nH+]2)CCO1 c1c[nH]c(c1)[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)C[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(Nc1ccc2OCOc2c1)c1cc(ccc1Cl)[*:1]
CC1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 CC1CCC(CC1)[*:1] O=C(N[*:1])C1(CCCC1)S(=O)(=O)c1ccc(Cl)cc1
CC1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 Clc1ccc(cc1)[*:1] CC1CCC(CC1)NC(=O)C1(CCCC1)S(=O)(=O)[*:1]
CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1nccs1 CC(C)C[*:1] O=C(Nc1ccccc1)N[C@H](C(=O)Nc1nccs1)[*:1]
CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1nccs1 c1ccc(cc1)[*:1] CC(C)C[C@H](NC(=O)N[*:1])C(=O)Nc1nccs1
CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[*:1]
CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1nccs1 CC(C)[*:1] O=C(Nc1ccccc1)N[C@@H](C[*:1])C(=O)Nc1nccs1
COCc1nc(-c2ccc(Cl)cc2)nn1[C@@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] COCc1nc(nn1[C@@H]1CCS(=O)(=O)C1)[*:1]
COCc1nc(-c2ccc(Cl)cc2)nn1[C@@H]1CCS(=O)(=O)C1 COC[*:1] O=S1(=O)CC[C@H](C1)n1nc(nc1[*:1])-c1ccc(Cl)cc1
COc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1S(=O)(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1S(=O)(=O)N(C)[*:1])C(=O)N1CCC2(CC1)OCCO2
COc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1S(=O)(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N(C)C[*:1])C(=O)N1CCC2(CC1)OCCO2
O=C(N[C@H]1C=CCCC1)N1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(N[C@H]1C=CCCC1)N1CCN(CC1)C(=O)[*:1]
CC(=O)N1CCN(Cc2cc(N[C@@H](C)c3ccc(C)cc3)cc[nH+]2)CC1 Cc1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N[C@@H](C)[*:1]
CCn1cnc(S(=O)(=O)N2CCC(C(=O)OC)CC2)c1 COC(=O)[*:1] CCn1cnc(c1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1cnn([C@H]2CCCN(C(=O)c3cc(-c4cccs4)n[nH]3)C2)c1 c1csc(c1)[*:1] Cc1cnn(c1)[C@H]1CCCN(C1)C(=O)c1cc(n[nH]1)[*:1]
Cc1cnn([C@H]2CCCN(C(=O)c3cc(-c4cccs4)n[nH]3)C2)c1 Cc1cnn(c1)[*:1] O=C(c1cc(n[nH]1)-c1cccs1)N1CCC[C@@H](C1)[*:1]
NC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3ccccc3)ns2)CCO1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)Nc1cc(ns1)[*:1]
NC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3ccccc3)ns2)CCO1 NC(=O)[*:1] O=C(Nc1cc(ns1)-c1ccccc1)N1CCO[C@@H](C1)[*:1]
C[C@@H](C(=O)[O-])[C@@H](C)[S@@](=O)c1ccc2ccccc2c1 O=C([O-])[*:1] C[C@@H]([C@@H](C)[S@@](=O)c1ccc2ccccc2c1)[*:1]
O=C(Nc1nnc(Cc2ccccc2)s1)c1cncn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(C[*:1])s1)c1cncn1-c1ccccc1
O=C(Nc1nnc(Cc2ccccc2)s1)c1cncn1-c1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1nnc(s1)[*:1])c1cncn1-c1ccccc1
O=C(Nc1nnc(Cc2ccccc2)s1)c1cncn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(Cc2ccccc2)s1)c1cncn1[*:1]
C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1cccs1 c1ncn(n1)[*:1] C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[*:1])c1cccs1
C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1cccs1 c1csc(c1)[*:1] C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[*:1]
COc1cccc([C@H](CO)NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)c1 COc1cccc(c1)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H](CO)[*:1]
COc1cccc([C@H](CO)NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)c1 Cc1n[nH]c(C)c1C[*:1] COc1cccc(c1)[C@H](CO)NC(=O)[C@@H](C)[*:1]
COc1cccc([C@H](CO)NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)c1 Cc1n[nH]c(C)c1[*:1] COc1cccc(c1)[C@H](CO)NC(=O)[C@@H](C)C[*:1]
CCN(CC)C(=O)[C@@H](SCc1ccon1)c1ccccc1 c1cc(C[*:1])no1 CCN(CC)C(=O)[C@@H](S[*:1])c1ccccc1
CCN(CC)C(=O)[C@@H](SCc1ccon1)c1ccccc1 c1cc(no1)[*:1] CCN(CC)C(=O)[C@@H](SC[*:1])c1ccccc1
CCN(CC)C(=O)[C@@H](SCc1ccon1)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@@H](SCc1ccon1)[*:1]
CCN(CC)C(=O)[C@@H](SCc1ccon1)c1ccccc1 c1cc(CS[*:1])no1 CCN(CC)C(=O)[C@@H](c1ccccc1)[*:1]
CCN(CC)C(=O)[C@@H](SCc1ccon1)c1ccccc1 CCN(CC)C(=O)[*:1] c1ccc(cc1)[C@H](SCc1ccon1)[*:1]
CN(CC(C)(C)O)S(=O)(=O)c1sccc1Br CC(C)(O)[*:1] CN(C[*:1])S(=O)(=O)c1sccc1Br
CN(CC(C)(C)O)S(=O)(=O)c1sccc1Br CC(C)(O)C[*:1] CN(S(=O)(=O)c1sccc1Br)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)CO[*:1]
CCS(=O)(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1 CCS(=O)(=O)[*:1] Cc1cccc(c1)OCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2c(-n3cnnc3)nn(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c([N-]S(=O)(=O)[*:1])c(nn1C)-n1cnnc1
Cc1ccc(S(=O)(=O)[N-]c2c(-n3cnnc3)nn(C)c2C)cc1 c1nncn1[*:1] Cc1ccc(cc1)S(=O)(=O)[N-]c1c(nn(C)c1C)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NC2CC2)cc1 CC(C)C(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)NC1CC1
CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NC2CC2)cc1 C1CC1[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NC2CC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])C(=O)NC1CC1
O=C(CCNC(=O)Nc1ccc2c(c1)COC2)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCNC(=O)Nc1ccc2COCc2c1)NC[*:1]
O=C(CCNC(=O)Nc1ccc2c(c1)COC2)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCNC(=O)Nc1ccc2COCc2c1)N[*:1]
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@@H]2CC(=O)Nc1cc(Cl)ccc1OC Clc1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2cc(Cl)ccc2OC)c1[*:1]
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@@H]2CC(=O)Nc1cc(Cl)ccc1OC COc1ccc(Cl)cc1[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)N[*:1])c1-c1ccc(Cl)cc1
C[C@H](NC(=O)c1cccnc1N1CCCC1)[C@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccnc1N1CCCC1)[C@H](O)[*:1]
C[C@H](NC(=O)c1cccnc1N1CCCC1)[C@H](O)c1ccc(F)cc1 C1CCN(C1)[*:1] C[C@H](NC(=O)c1cccnc1[*:1])[C@H](O)c1ccc(F)cc1
COCC[NH2+]CCC[C@@H]1CCCc2cccnc21 COCC[*:1] c1cnc2c(c1)CCC[C@H]2CCC[NH2+][*:1]
COCC[NH2+]CCC[C@@H]1CCCc2cccnc21 COC[*:1] c1cnc2c(c1)CCC[C@H]2CCC[NH2+]C[*:1]
COCCNC(=O)C(=O)N[C@@H](C)Cc1ccco1 COCC[*:1] C[C@@H](Cc1ccco1)NC(=O)C(=O)N[*:1]
COCCNC(=O)C(=O)N[C@@H](C)Cc1ccco1 c1coc(c1)[*:1] COCCNC(=O)C(=O)N[C@@H](C)C[*:1]
COCCNC(=O)C(=O)N[C@@H](C)Cc1ccco1 COC[*:1] C[C@@H](Cc1ccco1)NC(=O)C(=O)NC[*:1]
COCCNC(=O)C(=O)N[C@@H](C)Cc1ccco1 c1coc(c1)C[*:1] COCCNC(=O)C(=O)N[C@@H](C)[*:1]
OCC1(CN2CCN(CC(F)(F)C(F)F)CC2)COC1 FC(F)C(F)(F)[*:1] OCC1(COC1)CN1CCN(CC1)C[*:1]
OCC1(CN2CCN(CC(F)(F)C(F)F)CC2)COC1 OCC1(COC1)[*:1] FC(F)C(F)(F)CN1CCN(CC1)C[*:1]
OCC1(CN2CCN(CC(F)(F)C(F)F)CC2)COC1 FC(F)[*:1] OCC1(COC1)CN1CCN(CC1)CC(F)(F)[*:1]
Cc1cccc(NCc2cc(=O)n3cc(C)ccc3n2)c1 Cc1cccc(c1)[*:1] Cc1ccc2nc(cc(=O)n2c1)CN[*:1]
Cc1ccn2/c(=N/C(=O)[C@@H](C)Oc3cccc(C#N)c3)[nH]nc2c1 N#Cc1cccc(c1)[*:1] Cc1ccn2/c(=N/C(=O)[C@@H](C)O[*:1])[nH]nc2c1
O=C([O-])C[C@H]1C[C@@H]1CC(=O)[O-] O=C([O-])[*:1] O=C([O-])C[C@H]1C[C@@H]1C[*:1]
Cc1ccc(C)c(OCc2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)o2)c1 Cc1ccc(C)c(c1)O[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(C[*:1])o3)sc2c1
Cc1ccc(C)c(OCc2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)o2)c1 CS(=O)(=O)[*:1] Cc1ccc(C)c(c1)OCc1ccc(o1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
Cc1ccc(C)c(OCc2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)o2)c1 Cc1ccc(C)c(c1)[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(CO[*:1])o3)sc2c1
Cc1ccc(C)c(OCc2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)o2)c1 Cc1ccc(C)c(c1)OC[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(o3)[*:1])sc2c1
COCCOc1c(Cl)cc(NC(=O)[C@@H]2CN(C)CCO2)cc1Cl COC[*:1] CN1CCO[C@@H](C1)C(=O)Nc1cc(Cl)c(OC[*:1])c(Cl)c1
COCCOc1c(Cl)cc(NC(=O)[C@@H]2CN(C)CCO2)cc1Cl COCC[*:1] CN1CCO[C@@H](C1)C(=O)Nc1cc(Cl)c(O[*:1])c(Cl)c1
COCCOc1c(Cl)cc(NC(=O)[C@@H]2CN(C)CCO2)cc1Cl COCCO[*:1] CN1CCO[C@@H](C1)C(=O)Nc1cc(Cl)c(c(Cl)c1)[*:1]
CCc1[nH+]ccn1CCC(=O)N1CCN(Cc2ncccc2C)CC1 Cc1cccnc1C[*:1] CCc1[nH+]ccn1CCC(=O)N1CCN(CC1)[*:1]
CCc1[nH+]ccn1CCC(=O)N1CCN(Cc2ncccc2C)CC1 Cc1cccnc1[*:1] CCc1[nH+]ccn1CCC(=O)N1CCN(CC1)C[*:1]
O=C(CCSc1ccccc1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 c1ccc(cc1)SC[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1nnc2ccc(cn12)C(F)(F)F
O=C(CCSc1ccccc1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 c1ccc(cc1)[*:1] O=C(CCS[*:1])N1CCC[C@H](C1)c1nnc2ccc(cn12)C(F)(F)F
O=C(CCSc1ccccc1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 FC(F)(F)[*:1] O=C(CCSc1ccccc1)N1CCC[C@H](C1)c1nnc2ccc(cn12)[*:1]
O=C(CCSc1ccccc1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 c1ccc(cc1)SCC[*:1] O=C(N1CCC[C@H](C1)c1nnc2ccc(cn12)C(F)(F)F)[*:1]
O=C(CCSc1ccccc1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 c1ccc(cc1)S[*:1] O=C(CC[*:1])N1CCC[C@H](C1)c1nnc2ccc(cn12)C(F)(F)F
CCSC1(CNC(=O)c2ccnc(Cl)c2)CCOCC1 CCS[*:1] O=C(NCC1(CCOCC1)[*:1])c1ccnc(Cl)c1
O=c1c(Cl)c(N2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)cnn1-c1ccccc1 Clc1ccccc1[*:1] O=c1c(Cl)c(cnn1-c1ccccc1)N1CC[NH+](CC1)Cc1nnc(o1)[*:1]
O=c1c(Cl)c(N2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c(Cl)c(cnn1[*:1])N1CC[NH+](CC1)Cc1nnc(o1)-c1ccccc1Cl
COC(=O)COC(=O)c1c2c(nc3ccc(C)cc13)CCCC2 COC(=O)[*:1] Cc1ccc2nc3CCCCc3c(C(=O)OC[*:1])c2c1
COC(=O)COC(=O)c1c2c(nc3ccc(C)cc13)CCCC2 COC(=O)C[*:1] Cc1ccc2nc3CCCCc3c(C(=O)O[*:1])c2c1
O=C(CCn1cnc2ccccc2c1=O)Nc1nc2ccccc2nc1N1CCCC1 C1CCN(C1)[*:1] O=C(CCn1cnc2ccccc2c1=O)Nc1nc2ccccc2nc1[*:1]
CSc1nc(NCCN2CCOCC2)c2sc3c(c2n1)COC(C)(C)C3 C1CN(CCO1)C[*:1] CSc1nc(NC[*:1])c2sc3CC(C)(C)OCc3c2n1
CSc1nc(NCCN2CCOCC2)c2sc3c(c2n1)COC(C)(C)C3 C1CN(CCO1)[*:1] CSc1nc(NCC[*:1])c2sc3CC(C)(C)OCc3c2n1
CSc1nc(NCCN2CCOCC2)c2sc3c(c2n1)COC(C)(C)C3 C1CN(CCO1)CC[*:1] CSc1nc(N[*:1])c2sc3CC(C)(C)OCc3c2n1
CCCC(=O)N1CCC(C(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] CCCC(=O)N1CCC(CC1)C(=O)N[*:1]
CCCC(=O)N1CCC(C(=O)NC(C)(C)C)CC1 CCC[*:1] CC(C)(C)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)Cc1cc(C(=O)N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)no1 CC(C)Cc1cc(no1)[*:1] O=C1NC(=O)[C@](CCc2ccccc2)(N1)C1CCN(CC1)C(=O)[*:1]
CC(C)Cc1cc(C(=O)N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)no1 c1ccc(cc1)C[*:1] CC(C)Cc1cc(no1)C(=O)N1CCC(CC1)[C@@]1(C[*:1])NC(=O)NC1=O
CC(C)Cc1cc(C(=O)N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)no1 c1ccc(cc1)CC[*:1] CC(C)Cc1cc(no1)C(=O)N1CCC(CC1)[C@]1(NC(=O)NC1=O)[*:1]
CC(C)Cc1cc(C(=O)N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)no1 c1ccc(cc1)[*:1] CC(C)Cc1cc(no1)C(=O)N1CCC(CC1)[C@@]1(CC[*:1])NC(=O)NC1=O
CC(C)Cc1cc(C(=O)N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)no1 CC(C)C[*:1] O=C1NC(=O)[C@](CCc2ccccc2)(N1)C1CCN(CC1)C(=O)c1cc(on1)[*:1]
CC(C)Cc1cc(C(=O)N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)no1 CC(C)[*:1] O=C1NC(=O)[C@](CCc2ccccc2)(N1)C1CCN(CC1)C(=O)c1cc(C[*:1])on1
C[C@@H](CCc1ccccc1)NC(=O)C(=O)NCc1ccccc1Cl c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)C(=O)NCc1ccccc1Cl
C[C@@H](CCc1ccccc1)NC(=O)C(=O)NCc1ccccc1Cl c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)C(=O)NCc1ccccc1Cl)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](CCc1ccccc1)NC(=O)C(=O)NC[*:1]
C[C@@H](CCc1ccccc1)NC(=O)C(=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] C[C@@H](CCc1ccccc1)NC(=O)C(=O)N[*:1]
C[C@@H](CCc1ccccc1)NC(=O)C(=O)NCc1ccccc1Cl c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)C(=O)NCc1ccccc1Cl
CN(C)c1ccccc1NC(=O)C(=O)NC[C@@H](O)c1ccco1 c1coc(c1)[*:1] CN(C)c1ccccc1NC(=O)C(=O)NC[C@@H](O)[*:1]
CN(C)c1ccccc1NC(=O)C(=O)NC[C@@H](O)c1ccco1 CN(C)[*:1] O=C(NC[C@@H](O)c1ccco1)C(=O)Nc1ccccc1[*:1]
C[C@@H](c1ccccc1)N1C(=O)C(=O)N(Cc2nnc(-c3ccccc3)o2)C1=O c1ccc(cc1)[*:1] C[C@@H](c1ccccc1)N1C(=O)C(=O)N(Cc2nnc(o2)[*:1])C1=O
C[C@@H](c1ccccc1)N1C(=O)C(=O)N(Cc2nnc(-c3ccccc3)o2)C1=O c1ccc(cc1)[*:1] C[C@@H](N1C(=O)C(=O)N(Cc2nnc(o2)-c2ccccc2)C1=O)[*:1]
C[C@@H](c1ccccc1)N1C(=O)C(=O)N(Cc2nnc(-c3ccccc3)o2)C1=O C[C@@H](c1ccccc1)[*:1] O=C1C(=O)N(C(=O)N1Cc1nnc(o1)-c1ccccc1)[*:1]
CCNC(=S)N(Cc1ccccc1)Cc1cccnc1 c1cncc(c1)[*:1] CCNC(=S)N(Cc1ccccc1)C[*:1]
CCNC(=S)N(Cc1ccccc1)Cc1cccnc1 c1ccc(cc1)[*:1] CCNC(=S)N(Cc1cccnc1)C[*:1]
O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 Fc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)-c1ccccc1)NC[C@@H](N1CCOCC1)[*:1]
O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(Cc1ccc(cc1)-c1ccccc1)NC[C@@H](c1ccc(F)cc1)[*:1]
O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[*:1])NC[C@@H](c1ccc(F)cc1)N1CCOCC1
Cc1cc(-c2cccc([C@@H]3C=CN=[NH+]3)c2)nc(-c2ccccc2O)n1 Oc1ccccc1[*:1] Cc1cc(nc(n1)[*:1])-c1cccc(c1)[C@@H]1C=CN=[NH+]1
CN1C(=O)CC[C@H](C(=O)Nc2ccc(F)cc2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)CC[C@H](C(=O)Nc2ccc(F)cc2)[C@H]1[*:1]
CN1C(=O)CC[C@H](C(=O)Nc2ccc(F)cc2)[C@@H]1c1ccccc1 Fc1ccc(cc1)[*:1] CN1C(=O)CC[C@H](C(=O)N[*:1])[C@@H]1c1ccccc1
O=C(NCc1ccc(-n2ccnc2)nc1)Nc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(NCc1ccc(nc1)-n1ccnc1)N[*:1]
O=C(NCc1ccc(-n2ccnc2)nc1)Nc1ccc(Cl)cc1Cl c1cn(cn1)[*:1] O=C(NCc1ccc(nc1)[*:1])Nc1ccc(Cl)cc1Cl
CCc1cccc(C(=O)NNC(=O)c2ccc(C)o2)c1O Cc1ccc(o1)[*:1] CCc1cccc(C(=O)NNC(=O)[*:1])c1O
Cc1ccccc1OCCN(c1ccccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 Cc1ccccc1[*:1] Cc1ccccc1N(CCO[*:1])S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccccc1OCCN(c1ccccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 Cc1ccccc1O[*:1] Cc1ccccc1N(CC[*:1])S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccccc1OCCN(c1ccccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] Cc1ccccc1OCCN(c1ccccc1C)S(=O)(=O)[*:1]
Cc1ccccc1OCCN(c1ccccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 Cc1ccccc1OCC[*:1] Cc1ccccc1N(S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
Cc1ccccc1OCCN(c1ccccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 Cc1ccccc1OC[*:1] Cc1ccccc1N(C[*:1])S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccccc1OCCN(c1ccccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 Cc1ccccc1[*:1] Cc1ccccc1OCCN(S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1-n1cncn1 c1ncn(n1)[*:1] CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1[*:1]
C[C@@](CO)(Nc1ccc2nnc(C(F)F)n2n1)C1CC1 FC(F)[*:1] C[C@@](CO)(Nc1ccc2nnc(n2n1)[*:1])C1CC1
C[C@@](CO)(Nc1ccc2nnc(C(F)F)n2n1)C1CC1 C1CC1[*:1] C[C@@](CO)(Nc1ccc2nnc(C(F)F)n2n1)[*:1]
Cc1ccc(C(C)(C)C(=O)O[C@H](C)c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)C(C)(C)C(=O)O[C@H](C)[*:1]
Cc1ccc(C(C)(C)C(=O)O[C@H](C)c2ccccn2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](OC(=O)C(C)(C)[*:1])c1ccccn1
COCc1ccc(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1 c1ccc(cc1)O[*:1] COCc1ccc(cc1)C(=O)N(C)c1ccc(cc1)[*:1]
COCc1ccc(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] COCc1ccc(cc1)C(=O)N(C)c1ccc(cc1)O[*:1]
COCc1ccc(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1 COC[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1ccc(cc1)Oc1ccccc1
O=c1n(Cc2ccc(F)cc2F)nc([C@@H]2CCC[NH2+]C2)n1-c1ccccc1 Fc1ccc(c(F)c1)[*:1] O=c1n(C[*:1])nc([C@@H]2CCC[NH2+]C2)n1-c1ccccc1
O=c1n(Cc2ccc(F)cc2F)nc([C@@H]2CCC[NH2+]C2)n1-c1ccccc1 Fc1ccc(C[*:1])c(F)c1 O=c1n(nc([C@@H]2CCC[NH2+]C2)n1-c1ccccc1)[*:1]
O=c1n(Cc2ccc(F)cc2F)nc([C@@H]2CCC[NH2+]C2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=c1n(Cc2ccc(F)cc2F)nc([C@@H]2CCC[NH2+]C2)n1[*:1]
Cc1cscc1CNC(=O)N[C@](C)(C(=O)[O-])C1CC1 O=C([O-])[*:1] Cc1cscc1CNC(=O)N[C@](C)(C1CC1)[*:1]
Cc1cscc1CNC(=O)N[C@](C)(C(=O)[O-])C1CC1 C1CC1[*:1] Cc1cscc1CNC(=O)N[C@](C)(C(=O)[O-])[*:1]
Cc1cscc1CNC(=O)N[C@](C)(C(=O)[O-])C1CC1 Cc1cscc1[*:1] C[C@@](NC(=O)NC[*:1])(C(=O)[O-])C1CC1
Cn1nnnc1SCCC(=O)Nc1cccc(Cl)c1Cl Cn1nnnc1[*:1] O=C(CCS[*:1])Nc1cccc(Cl)c1Cl
O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ncccc2F)CC1 O=[N+]([O-])[*:1] Fc1cccnc1N1CCN(CC1)c1ccc(Cl)cc1[*:1]
O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=[N+]([O-])c1cc(Cl)ccc1N1CCN(CC1)[*:1]
CC(C)CC(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1 CC(C)CC(=O)N[*:1] c1ccc(cc1)CCc1nc2cc(ccc2[nH]1)[*:1]
CC(C)CC(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1 CC(C)C[*:1] O=C(Nc1ccc2[nH]c(CCc3ccccc3)nc2c1)[*:1]
CC(C)CC(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1 c1ccc(cc1)CC[*:1] CC(C)CC(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CC(C)CC(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1 c1ccc(cc1)[*:1] CC(C)CC(=O)Nc1ccc2[nH]c(CC[*:1])nc2c1
CC(C)CC(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1 c1ccc(cc1)C[*:1] CC(C)CC(=O)Nc1ccc2[nH]c(C[*:1])nc2c1
CC(C)CC(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1 CC(C)[*:1] O=C(C[*:1])Nc1ccc2[nH]c(CCc3ccccc3)nc2c1
CN(CC(C)(C)O)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl CC(C)(O)[*:1] CN(C[*:1])S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl
CN(CC(C)(C)O)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl O=C([O-])[*:1] CN(CC(C)(C)O)S(=O)(=O)c1cc(Cl)cc(c1Cl)[*:1]
CN(CC(C)(C)O)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl CC(C)(O)C[*:1] CN(S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl)[*:1]
CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])[NH2+]C[C@@H]1CCN(C1)S(C)(=O)=O
CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 c1ccc(cc1)C[*:1] CC[C@@H]([NH2+]C[C@@H]1CCN(C1)S(C)(=O)=O)[*:1]
C=CCn1c(S[C@@H](C)C(=O)OC)nnc1[C@H]1COc2ccccc2O1 C=CC[*:1] COC(=O)[C@H](C)Sc1nnc([C@H]2COc3ccccc3O2)n1[*:1]
C=CCn1c(S[C@@H](C)C(=O)OC)nnc1[C@H]1COc2ccccc2O1 COC(=O)[C@H](C)[*:1] C=CCn1c(nnc1[C@H]1COc2ccccc2O1)S[*:1]
C=CCn1c(S[C@@H](C)C(=O)OC)nnc1[C@H]1COc2ccccc2O1 COC(=O)[C@H](C)S[*:1] C=CCn1c(nnc1[*:1])[C@H]1COc2ccccc2O1
C=CCn1c(S[C@@H](C)C(=O)OC)nnc1[C@H]1COc2ccccc2O1 COC(=O)[*:1] C=CCn1c(nnc1[C@H]1COc2ccccc2O1)S[C@@H](C)[*:1]
O=C(NC1CCCCC1)[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC2(CC1)OCCO2 O=[N+]([O-])[*:1] O=C(NC1CCCCC1)[C@H](c1cc2OCOc2cc1[*:1])N1CCC2(CC1)OCCO2
O=C(NC1CCCCC1)[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC2(CC1)OCCO2 O=C(NC1CCCCC1)[*:1] O=[N+]([O-])c1cc2OCOc2cc1[C@H](N1CCC2(CC1)OCCO2)[*:1]
O=C(NC1CCCCC1)[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC2(CC1)OCCO2 C1CCC(CC1)[*:1] O=C(N[*:1])[C@H](c1cc2OCOc2cc1[N+](=O)[O-])N1CCC2(CC1)OCCO2
C/C(=C/CC[NH2+]C(C)C)Cc1cc(Br)cs1 CC(C)[*:1] C/C(=C/CC[NH2+][*:1])Cc1cc(Br)cs1
COc1ccc(Cl)cc1C(=O)N1CCC(CCn2cccn2)CC1 c1cnn(c1)C[*:1] COc1ccc(Cl)cc1C(=O)N1CCC(CC1)C[*:1]
COc1ccc(Cl)cc1C(=O)N1CCC(CCn2cccn2)CC1 c1cnn(c1)[*:1] COc1ccc(Cl)cc1C(=O)N1CCC(CC1)CC[*:1]
COc1ccc(Cl)cc1C(=O)N1CCC(CCn2cccn2)CC1 c1cnn(c1)CC[*:1] COc1ccc(Cl)cc1C(=O)N1CCC(CC1)[*:1]
C[C@H](NC(=O)[C@@H](O)c1ccccc1)c1nnc2ccccn12 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](O)[*:1])c1nnc2ccccn12
CC[C@H](C)N(C)C(=O)[C@H](C)NC(C)=O CC[C@H](C)[*:1] CC(=O)N[C@@H](C)C(=O)N(C)[*:1]
CC[C@H](C)N(C)C(=O)[C@H](C)NC(C)=O CC(=O)N[*:1] CC[C@H](C)N(C)C(=O)[C@H](C)[*:1]
C=CCNCC(=O)OC1CC[NH+](C)CC1 C=CC[*:1] C[NH+]1CCC(CC1)OC(=O)CN[*:1]
C=CCNCC(=O)OC1CC[NH+](C)CC1 C=CCN[*:1] C[NH+]1CCC(CC1)OC(=O)C[*:1]
C=CCNCC(=O)OC1CC[NH+](C)CC1 C=CCNC[*:1] C[NH+]1CCC(CC1)OC(=O)[*:1]
COc1ccccc1-c1csc(NCC(C)C)n1 CC(C)C[*:1] COc1ccccc1-c1csc(n1)N[*:1]
COc1ccccc1-c1csc(NCC(C)C)n1 CC(C)CN[*:1] COc1ccccc1-c1csc(n1)[*:1]
COc1ccccc1-c1csc(NCC(C)C)n1 CC(C)[*:1] COc1ccccc1-c1csc(n1)NC[*:1]
CC[C@](C)(NC(=O)Nc1cc(CC(C)C)nn1C)c1nccs1 CC(C)[*:1] CC[C@](C)(NC(=O)Nc1cc(C[*:1])nn1C)c1nccs1
CC[C@](C)(NC(=O)Nc1cc(CC(C)C)nn1C)c1nccs1 c1csc(n1)[*:1] CC[C@](C)(NC(=O)Nc1cc(CC(C)C)nn1C)[*:1]
CC[C@](C)(NC(=O)Nc1cc(CC(C)C)nn1C)c1nccs1 CC(C)C[*:1] CC[C@](C)(NC(=O)Nc1cc(nn1C)[*:1])c1nccs1
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NC[C@@H]2CCCO2)CC1 O=C(NC1CC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)NC[C@@H]1CCCO1)[*:1]
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] C[C@@H](C(=O)NC1CC1)N1CCN(CC1)C(=O)N[*:1]
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NC[C@@H]2CCCO2)CC1 C1CC1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)NC[C@@H]1CCCO1
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] C[C@@H](C(=O)NC1CC1)N1CCN(CC1)C(=O)NC[*:1]
O=C(NCC[C@H]1CN(C2CCOCC2)CCO1)C1CCCCCC1 C1CC(CCO1)[*:1] O=C(NCC[C@H]1CN(CCO1)[*:1])C1CCCCCC1
O=C(NCC[C@H]1CN(C2CCOCC2)CCO1)C1CCCCCC1 C1CCCC(CC1)[*:1] O=C(NCC[C@H]1CN(CCO1)C1CCOCC1)[*:1]
C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(cc1)NC(=O)[*:1]
C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 O=C(N[*:1])c1ccncc1 C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CO[*:1])c1ccc(cc1)NC(=O)c1ccncc1
C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 Fc1ccc(cc1)O[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)NC(=O)c1ccncc1
C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(NC(=O)c2ccncc2)cc1 Fc1ccc(cc1)OC[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)NC(=O)c1ccncc1
CCNC(=O)CN(CC)c1ncncc1N CCNC(=O)[*:1] CCN(C[*:1])c1ncncc1N
CC(=O)Nc1ccccc1C[NH+]1CCC(c2nc(C)no2)CC1 Cc1noc(n1)[*:1] CC(=O)Nc1ccccc1C[NH+]1CCC(CC1)[*:1]
CC(=O)Nc1ccccc1C[NH+]1CCC(c2nc(C)no2)CC1 CC(=O)N[*:1] Cc1noc(n1)C1CC[NH+](CC1)Cc1ccccc1[*:1]
CC1CC[NH+](C2CCC([NH2+]Cc3cn(C)nc3-c3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CC1CC[NH+](CC1)C1CCC(CC1)[NH2+]Cc1cn(C)nc1[*:1]
COc1ccc(C)cc1NC(=O)CNC(=O)COc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COc1ccc(C)cc1NC(=O)CNC(=O)CO[*:1]
C/[NH+]=C(/NC[C@H](C)Oc1ccccc1F)N1CC[C@@H]([NH+]2CCCC2)C1 Fc1ccccc1[*:1] C/[NH+]=C(/NC[C@H](C)O[*:1])N1CC[C@H](C1)[NH+]1CCCC1
C/[NH+]=C(/NC[C@H](C)Oc1ccccc1F)N1CC[C@@H]([NH+]2CCCC2)C1 Fc1ccccc1O[*:1] C/[NH+]=C(/NC[C@H](C)[*:1])N1CC[C@H](C1)[NH+]1CCCC1
CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 CC(C)C[*:1] C[NH+](C)CCN(C(=O)Nc1cc(F)cc(c1)S(N)(=O)=O)[*:1]
CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(c1)[*:1]
CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 CC(C)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Nc1cc(F)cc(c1)S(N)(=O)=O
Cc1ccccc1NC(=O)NCCc1cn(C)c2ncccc12 Cc1ccccc1[*:1] Cn1cc(CCNC(=O)N[*:1])c2cccnc21
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SC)cc1Cl c1csc(c1)[*:1] COc1ccc(cc1Cl)N1C(=O)C(=C[*:1])N=C1SC
Cc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 Fc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)NC[C@H](N1CCOCC1)[*:1]
Cc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 Cc1ccc(Cl)cc1[*:1] O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)N[*:1]
Cc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccc(F)cc1)[*:1]
Cn1cc(/C=C/C(=O)c2cccc(O)c2)c(C(C)(C)C)n1 Oc1cccc(c1)[*:1] Cn1cc(/C=C/C(=O)[*:1])c(n1)C(C)(C)C
Cn1cc(/C=C/C(=O)c2cccc(O)c2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(/C=C/C(=O)c2cccc(O)c2)c(n1)[*:1]
CC(C)c1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 CC(C)[*:1] CC(C)(CNC(=O)c1ccc(cc1)[*:1])[NH+]1CCCCC1
CN(C)c1ccc(C(=O)NNC(=O)COCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CN(C)c1ccc(cc1)C(=O)NNC(=O)CO[*:1]
CN(C)c1ccc(C(=O)NNC(=O)COCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] CN(C)c1ccc(cc1)C(=O)NNC(=O)C[*:1]
CN(C)c1ccc(C(=O)NNC(=O)COCc2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)c1ccc(cc1)C(=O)NNC(=O)COC[*:1]
CN(C)c1ccc(C(=O)NNC(=O)COCc2ccccc2)cc1 CN(C)[*:1] O=C(COCc1ccccc1)NNC(=O)c1ccc(cc1)[*:1]
CCC(CC)C(=O)N[C@@H]1CC[C@@H](C)[NH2+][C@@H]1C CCC(CC)[*:1] C[C@@H]1CC[C@@H](NC(=O)[*:1])[C@@H](C)[NH2+]1
Cc1csc(CCCNC(=O)C2=Cc3cc(F)ccc3OC2)n1 Cc1csc(C[*:1])n1 O=C(NCC[*:1])C1=Cc2cc(F)ccc2OC1
Cc1csc(CCCNC(=O)C2=Cc3cc(F)ccc3OC2)n1 Cc1csc(n1)[*:1] O=C(NCCC[*:1])C1=Cc2cc(F)ccc2OC1
COc1ncccc1CNC(=O)CCC1CCCC1 C1CCC(C1)[*:1] COc1ncccc1CNC(=O)CC[*:1]
COc1ncccc1CNC(=O)CCC1CCCC1 C1CCC(C1)C[*:1] COc1ncccc1CNC(=O)C[*:1]
CCCC(=O)N1CCC[C@H](C(=O)N(C)Cc2cccs2)C1 CCC[*:1] CN(Cc1cccs1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CCCC(=O)N1CCC[C@H](C(=O)N(C)Cc2cccs2)C1 c1csc(c1)C[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)N(C)[*:1]
CCCC(=O)N1CCC[C@H](C(=O)N(C)Cc2cccs2)C1 c1csc(c1)[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)N(C)C[*:1]
CC(=O)c1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)n(C)c1 CC(C)(C)[*:1] CC(=O)c1cc(C(=O)Nc2cnc(nc2)[*:1])n(C)c1
CC(=O)c1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)n(C)c1 CC(=O)[*:1] Cn1cc(cc1C(=O)Nc1cnc(nc1)C(C)(C)C)[*:1]
Cc1ncsc1CC[C@@H](CO)c1cccc(Cl)c1 Cc1ncsc1[*:1] OC[C@H](CC[*:1])c1cccc(Cl)c1
Clc1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)cc1 Clc1ccc(cc1)[*:1] c1cc2OCOc2cc1C[NH2+]Cc1ccc(o1)[*:1]
O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=O)c2ccccc2Cl)cc1 O=C(N[*:1])c1ccccc1Cl O=C(NC[C@H]1COc2ccccc2O1)c1ccc(cc1)[*:1]
O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] O=C(NC[C@H]1COc2ccccc2O1)c1ccc(cc1)NC(=O)[*:1]
CNc1cc(C[C@@H](NC(=O)c2ncc[nH]2)c2cccc(C)c2)nc(C2CC2)n1 Cc1cccc(c1)[*:1] CNc1cc(C[C@@H](NC(=O)c2ncc[nH]2)[*:1])nc(n1)C1CC1
CNc1cc(C[C@@H](NC(=O)c2ncc[nH]2)c2cccc(C)c2)nc(C2CC2)n1 O=C(N[*:1])c1ncc[nH]1 CNc1cc(C[C@@H](c2cccc(C)c2)[*:1])nc(n1)C1CC1
CNc1cc(C[C@@H](NC(=O)c2ncc[nH]2)c2cccc(C)c2)nc(C2CC2)n1 C1CC1[*:1] CNc1cc(C[C@@H](NC(=O)c2ncc[nH]2)c2cccc(C)c2)nc(n1)[*:1]
CNc1cc(C[C@@H](NC(=O)c2ncc[nH]2)c2cccc(C)c2)nc(C2CC2)n1 c1c[nH]c(n1)[*:1] CNc1cc(C[C@@H](NC(=O)[*:1])c2cccc(C)c2)nc(n1)C1CC1
Cc1nnc(SCC(=O)Nc2sccc2C(N)=O)n1C1CC1 NC(=O)[*:1] Cc1nnc(SCC(=O)Nc2sccc2[*:1])n1C1CC1
Cc1nnc(SCC(=O)Nc2sccc2C(N)=O)n1C1CC1 C1CC1[*:1] Cc1nnc(SCC(=O)Nc2sccc2C(N)=O)n1[*:1]
NOc1ncc([N+](=O)[O-])cc1C(N)=O O=[N+]([O-])[*:1] NOc1ncc(cc1C(N)=O)[*:1]
NOc1ncc([N+](=O)[O-])cc1C(N)=O NC(=O)[*:1] NOc1ncc(cc1[*:1])[N+](=O)[O-]
O=C([C@H]1CSCN1C(=O)c1ccc(-n2ccnn2)cc1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CSC[C@@H]1[*:1]
O=C([C@H]1CSCN1C(=O)c1ccc(-n2ccnn2)cc1)N1CCCC1 c1cn(nn1)[*:1] O=C([C@H]1CSCN1C(=O)c1ccc(cc1)[*:1])N1CCCC1
COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[NH+]1CCCC1 O=[N+]([O-])[*:1] COc1ccccc1[C@@H](CNC(=O)c1ccc(c(C)c1)[*:1])[NH+]1CCCC1
COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[NH+]1CCCC1 COc1ccccc1[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
COc1ccc(Br)cc1CN(C)C(=O)CCc1c(C)nc2cc(C)nn2c1C COc1ccc(Br)cc1[*:1] Cc1cc2nc(C)c(CCC(=O)N(C)C[*:1])c(C)n2n1
Cc1cccc(NC(=O)CN(C)C(=O)COc2ccc(C#N)cc2)c1C N#Cc1ccc(cc1)[*:1] Cc1cccc(NC(=O)CN(C)C(=O)CO[*:1])c1C
Cc1cccc(NC(=O)CN(C)C(=O)COc2ccc(C#N)cc2)c1C Cc1cccc(c1C)[*:1] CN(CC(=O)N[*:1])C(=O)COc1ccc(C#N)cc1
COc1cc(/C=C/C(=O)Nc2ccc3c4c(cccc24)CC3)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(/C=C/C(=O)Nc2ccc3CCc4cccc2c43)ccc1OC[*:1]
COc1cc(/C=C/C(=O)Nc2ccc3c4c(cccc24)CC3)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(/C=C/C(=O)Nc2ccc3CCc4cccc2c43)ccc1O[*:1]
COc1cc(/C=C/C(=O)Nc2ccc3c4c(cccc24)CC3)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(/C=C/C(=O)Nc2ccc3CCc4cccc2c43)ccc1[*:1]
C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](Sc1nc(-c2ccccc2)c(o1)-c1ccccc1)C(=O)NC(=O)N[*:1]
C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC(=O)NC(C)(C)C c1ccc(cc1)[*:1] C[C@@H](Sc1nc(-c2ccccc2)c(o1)[*:1])C(=O)NC(=O)NC(C)(C)C
C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC(=O)NC(C)(C)C c1ccc(cc1)[*:1] C[C@@H](Sc1nc(c(o1)-c1ccccc1)[*:1])C(=O)NC(=O)NC(C)(C)C
C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC(=O)NC(C)(C)C CC(C)(C)NC(=O)NC(=O)[*:1] C[C@@H](Sc1nc(-c2ccccc2)c(o1)-c1ccccc1)[*:1]
CCN(CCS(C)(=O)=O)C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CCN(CCS(C)(=O)=O)C(=O)c1ccnc(c1)O[*:1]
CCN(CCS(C)(=O)=O)C(=O)c1ccnc(OC(C)(C)C)c1 CS(=O)(=O)C[*:1] CCN(C[*:1])C(=O)c1ccnc(c1)OC(C)(C)C
CCN(CCS(C)(=O)=O)C(=O)c1ccnc(OC(C)(C)C)c1 CS(=O)(=O)CC[*:1] CCN(C(=O)c1ccnc(c1)OC(C)(C)C)[*:1]
CCN(CCS(C)(=O)=O)C(=O)c1ccnc(OC(C)(C)C)c1 CS(=O)(=O)[*:1] CCN(CC[*:1])C(=O)c1ccnc(c1)OC(C)(C)C
CCN(CCS(C)(=O)=O)C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CCN(CCS(C)(=O)=O)C(=O)c1ccnc(c1)[*:1]
Cn1nnnc1SCC(=O)NCCOc1ccc(Cl)cc1 Cn1nnnc1S[*:1] O=C(C[*:1])NCCOc1ccc(Cl)cc1
Cn1nnnc1SCC(=O)NCCOc1ccc(Cl)cc1 Cn1nnnc1[*:1] O=C(CS[*:1])NCCOc1ccc(Cl)cc1
Cn1nnnc1SCC(=O)NCCOc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1nnnc1SCC(=O)NCCO[*:1]
CCc1ccc(NC(=O)c2nnc(CSc3nc(C)c(C)o3)s2)cc1 Cc1nc(oc1C)S[*:1] CCc1ccc(cc1)NC(=O)c1nnc(C[*:1])s1
CCc1ccc(NC(=O)c2nnc(CSc3nc(C)c(C)o3)s2)cc1 CCc1ccc(cc1)[*:1] Cc1nc(oc1C)SCc1nnc(s1)C(=O)N[*:1]
CCc1ccc(NC(=O)c2nnc(CSc3nc(C)c(C)o3)s2)cc1 Cc1nc(oc1C)[*:1] CCc1ccc(cc1)NC(=O)c1nnc(CS[*:1])s1
Cc1noc(C)c1[C@@H](C)NC(=O)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)c1nc(cs1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1nc(-c2ccccc2)cs1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)c1nc(cs1)-c1ccccc1)[*:1]
CSc1ccc(NC(=O)c2cn(C)nc2-c2ccccc2)cn1 c1ccc(cc1)[*:1] CSc1ccc(cn1)NC(=O)c1cn(C)nc1[*:1]
CC(C)[NH+](CCNC(=O)C1(c2ccc(F)cc2F)CCOCC1)C(C)C Fc1ccc(c(F)c1)[*:1] CC(C)[NH+](CCNC(=O)C1(CCOCC1)[*:1])C(C)C
CC(C)[NH+](CCNC(=O)C1(c2ccc(F)cc2F)CCOCC1)C(C)C CC(C)[*:1] CC(C)[NH+](CCNC(=O)C1(CCOCC1)c1ccc(F)cc1F)[*:1]
C[C@H](CCc1ccc(F)c(F)c1)[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 Fc1ccc(cc1F)[*:1] C[C@H](CC[*:1])[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1
CCn1c(C)cc(C[NH2+][C@H](c2ccccc2)C(C)C)c1C c1ccc(cc1)[*:1] CCn1c(C)cc(C[NH2+][C@H](C(C)C)[*:1])c1C
CCn1c(C)cc(C[NH2+][C@H](c2ccccc2)C(C)C)c1C CC(C)[*:1] CCn1c(C)cc(C[NH2+][C@H](c2ccccc2)[*:1])c1C
C[C@@H](C(=O)NC(C)(C)C)[S@](=O)Cc1csc(-c2ccccc2)n1 CC(C)(C)[*:1] C[C@@H](C(=O)N[*:1])[S@](=O)Cc1csc(n1)-c1ccccc1
C[C@@H](C(=O)NC(C)(C)C)[S@](=O)Cc1csc(-c2ccccc2)n1 CC(C)(C)NC(=O)[*:1] C[C@@H]([S@](=O)Cc1csc(n1)-c1ccccc1)[*:1]
C[C@@H](C(=O)NC(C)(C)C)[S@](=O)Cc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC(C)(C)C)[S@](=O)Cc1csc(n1)[*:1]
Cc1nc(C2CCN(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)CC2)no1 c1cn(cn1)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1nc(C2CCN(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)CC2)no1 Cc1nc(no1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(cc1)-n1ccnc1
NC(=O)[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 FC(F)(F)O[*:1] NC(=O)[C@H](NCc1ccc(cc1)[*:1])c1ccccc1
NC(=O)[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](NCc1ccc(cc1)OC(F)(F)F)[*:1]
NC(=O)[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 NC(=O)[*:1] FC(F)(F)Oc1ccc(cc1)CN[C@H](c1ccccc1)[*:1]
NC(=O)[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 FC(F)(F)[*:1] NC(=O)[C@H](NCc1ccc(cc1)O[*:1])c1ccccc1
CC(C)N1CCO[C@@H](CSC[C@H](O)CO)C1 CC(C)[*:1] OC[C@@H](O)CSC[C@H]1CN(CCO1)[*:1]
CC(C)N1CCO[C@@H](CSC[C@H](O)CO)C1 OC[C@@H](O)C[*:1] CC(C)N1CCO[C@@H](CS[*:1])C1
CC(C)N1CCO[C@@H](CSC[C@H](O)CO)C1 OC[C@@H](O)[*:1] CC(C)N1CCO[C@@H](CSC[*:1])C1
Cc1cc(=O)n(CC(=O)[O-])c(N2CCC(C)CC2)n1 O=C([O-])C[*:1] Cc1cc(=O)n(c(n1)N1CCC(C)CC1)[*:1]
Cc1cc(=O)n(CC(=O)[O-])c(N2CCC(C)CC2)n1 O=C([O-])[*:1] Cc1cc(=O)n(C[*:1])c(n1)N1CCC(C)CC1
COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CC[NH+](C)CC2)cc1 COc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1c(cnc2ccc(Cl)cc12)S(=O)(=O)[*:1]
CC(C)(C)Oc1cc(CNC(=O)c2ncncc2Cl)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])c1ncncc1Cl
CC(C)(C)Oc1cc(CNC(=O)c2ncncc2Cl)ccn1 Clc1cncnc1[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)[*:1]
CC(C)(C)Oc1cc(CNC(=O)c2ncncc2Cl)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])c1ncncc1Cl
C=CCOc1ccc(/C=C/C(=O)N2CCc3ccccc32)cc1OC C=CCO[*:1] COc1cc(/C=C/C(=O)N2CCc3ccccc32)ccc1[*:1]
C=CCOc1ccc(/C=C/C(=O)N2CCc3ccccc32)cc1OC C=CC[*:1] COc1cc(/C=C/C(=O)N2CCc3ccccc32)ccc1O[*:1]
CC1(C)NC(=O)N(CCC(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1=O CC1(C)NC(=O)N(C[*:1])C1=O O=C([C@H]1CN(C(=O)C[*:1])c2ccccc2O1)N1CCOCC1
CC1(C)NC(=O)N(CCC(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1=O CC1(C)NC(=O)N(C1=O)[*:1] O=C([C@H]1CN(C(=O)CC[*:1])c2ccccc2O1)N1CCOCC1
CC1(C)NC(=O)N(CCC(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1=O O=C(N1CCOCC1)[*:1] CC1(C)NC(=O)N(CCC(=O)N2C[C@H](Oc3ccccc32)[*:1])C1=O
Cc1c(C[NH2+]CC(=O)[O-])cnn1C O=C([O-])[*:1] Cc1c(cnn1C)C[NH2+]C[*:1]
Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4cccc(Br)c4)n3)nc2c1 Brc1cccc(c1)[*:1] Cc1ccc2[nH]c(nc2c1)SCc1noc(CCC(=O)N[*:1])n1
O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(CCO)cc1 OCC[*:1] O=C(CCc1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(CCO)cc1 O=[N+]([O-])[*:1] O=C(CCc1cccc(c1)[*:1])Nc1ccc(cc1)CCO
CN(C)S(=O)(=O)c1ccc(N2CCO[C@@H](C#N)C2)c(N)c1 CN(C)S(=O)(=O)[*:1] N#C[C@H]1CN(CCO1)c1ccc(cc1N)[*:1]
CCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2)CC1=O Clc1cccc(c1)[*:1] CCOc1ccccc1N1C[C@@H](CC1=O)C(=O)N[*:1]
CCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2)CC1=O CCO[*:1] O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(C1)c1ccccc1[*:1]
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc[nH]1 Clc1ccc(cc1)[*:1] O=C(Nc1cnn(c1)C[*:1])c1ccc[nH]1
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(Nc1cnn(c1)Cc1ccc(Cl)cc1)[*:1]
CC[NH+]1CCN([C@@H](C)CNC(=O)/C=C/c2c(C)nn(C)c2Cl)CC1 Cc1nn(C)c(Cl)c1[*:1] CC[NH+]1CCN(CC1)[C@@H](C)CNC(=O)C=C[*:1]
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1)c1ccco1 FC(F)(F)[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(nc1)[*:1])c1ccco1
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(nc1)C(F)(F)F)[*:1]
COCCCC(=O)NC1CCC(C(=O)[O-])CC1 COCCC[*:1] O=C([O-])C1CCC(CC1)NC(=O)[*:1]
COCCCC(=O)NC1CCC(C(=O)[O-])CC1 COCC[*:1] O=C(C[*:1])NC1CCC(CC1)C(=O)[O-]
COCCCC(=O)NC1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] COCCCC(=O)NC1CCC(CC1)[*:1]
COCCCC(=O)NC1CCC(C(=O)[O-])CC1 COC[*:1] O=C(CC[*:1])NC1CCC(CC1)C(=O)[O-]
CC1CC(=O)N(CC(=O)N(C)CCC#N)C(=O)C1 N#CCC[*:1] CC1CC(=O)N(CC(=O)N(C)[*:1])C(=O)C1
CC1CC(=O)N(CC(=O)N(C)CCC#N)C(=O)C1 N#CC[*:1] CC1CC(=O)N(CC(=O)N(C)C[*:1])C(=O)C1
CCC1=C2[C@H](c3ccc(OC(F)(F)F)cc3)C(C#N)=C(N)O[C@H]2N=N1 FC(F)(F)O[*:1] CCC1N=N[C@@H]2OC(N)=C(C#N)[C@H](C=12)c1ccc(cc1)[*:1]
CCC1=C2[C@H](c3ccc(OC(F)(F)F)cc3)C(C#N)=C(N)O[C@H]2N=N1 FC(F)(F)[*:1] CCC1N=N[C@@H]2OC(N)=C(C#N)[C@H](C=12)c1ccc(cc1)O[*:1]
Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccn2)n[nH]1 c1ccc(C[*:1])nc1 Cc1cc(n[nH]1)NC(=O)CSc1nc2ccsc2c(=O)n1[*:1]
Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccn2)n[nH]1 Cc1cc(n[nH]1)[*:1] O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccn1)N[*:1]
Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccn2)n[nH]1 c1ccc(nc1)[*:1] Cc1cc(n[nH]1)NC(=O)CSc1nc2ccsc2c(=O)n1C[*:1]
Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccn2)n[nH]1 Cc1cc(n[nH]1)NC(=O)[*:1] O=c1c2sccc2nc(SC[*:1])n1Cc1ccccn1
C/[NH+]=C(/NCCc1csc2ccccc12)NCc1ncc(C)s1 Cc1cnc(s1)[*:1] C/[NH+]=C(/NCCc1csc2ccccc12)NC[*:1]
C/[NH+]=C(/NCCc1csc2ccccc12)NCc1ncc(C)s1 Cc1cnc(C[*:1])s1 C/[NH+]=C(/NCCc1csc2ccccc12)N[*:1]
CCSCC[C@@H](C)N(C)C(=O)c1c[nH]c2nccc(Cl)c12 CCS[*:1] C[C@H](CC[*:1])N(C)C(=O)c1c[nH]c2nccc(Cl)c12
CCSCC[C@@H](C)N(C)C(=O)c1c[nH]c2nccc(Cl)c12 CCSC[*:1] C[C@H](C[*:1])N(C)C(=O)c1c[nH]c2nccc(Cl)c12
CCSCC[C@@H](C)N(C)C(=O)c1c[nH]c2nccc(Cl)c12 CCSCC[*:1] C[C@@H](N(C)C(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CN(CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1)[*:1]
CCc1ccc(-c2csc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)n2)cc1 O=C(N1CCCC1)[*:1] CCc1ccc(cc1)-c1csc(n1)NC(=O)c1ccccc1SC[*:1]
CCc1ccc(-c2csc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)n2)cc1 CCc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1SCC(=O)N1CCCC1
CCc1ccc(-c2csc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)n2)cc1 O=C(CS[*:1])N1CCCC1 CCc1ccc(cc1)-c1csc(n1)NC(=O)c1ccccc1[*:1]
CCc1ccc(-c2csc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)n2)cc1 O=C(C[*:1])N1CCCC1 CCc1ccc(cc1)-c1csc(n1)NC(=O)c1ccccc1S[*:1]
COc1ccccc1NC(=O)[C@@H]1CCCN(c2cnc3ccccc3n2)C1 COc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1cnc2ccccc2n1
CC(C)/C=C/C(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 CC(C)C=C[*:1] O=C(NC[C@H]1CCCN(C1)C(=O)[*:1])c1ccco1
CC(C)/C=C/C(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 c1coc(c1)[*:1] CC(C)/C=C/C(=O)N1CCC[C@H](CNC(=O)[*:1])C1
CC(C)/C=C/C(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 CC(C)[*:1] O=C(NC[C@H]1CCCN(C1)C(=O)C=C[*:1])c1ccco1
Cc1c(C[NH+](C)CCN2CCOCC2)cccc1[N+](=O)[O-] C1CN(CCO1)[*:1] Cc1c(cccc1[N+](=O)[O-])C[NH+](C)CC[*:1]
Cc1c(C[NH+](C)CCN2CCOCC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C[NH+](C)CCN1CCOCC1
Cc1c(C[NH+](C)CCN2CCOCC2)cccc1[N+](=O)[O-] C1CN(CCO1)C[*:1] Cc1c(cccc1[N+](=O)[O-])C[NH+](C)C[*:1]
Cc1ccc([C@H](C)NC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)s1 Cc1ccc(s1)[*:1] C[C@H](NC(=O)C=C1CN(C1)C(=O)OC(C)(C)C)[*:1]
Cc1ccc([C@H](C)NC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)s1 CC(C)(C)[*:1] Cc1ccc(s1)[C@H](C)NC(=O)C=C1CN(C1)C(=O)O[*:1]
CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C[NH3+])cc1F Fc1ccc(cc1)[*:1] CN(S(=O)(=O)c1ccc(cc1F)C[NH3+])[*:1]
Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(=O)c2c1 Cc1ccccc1[*:1] C[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N[*:1]
COc1ccc2cc([C@H]3CN(C(=O)c4ccnc(N)c4)CCO3)ccc2c1 Nc1cc(ccn1)[*:1] COc1ccc2cc(ccc2c1)[C@H]1CN(CCO1)C(=O)[*:1]
C[C@@H]([NH2+]C[C@H]1CCCN(c2ncccn2)C1)c1ccc([N+](=O)[O-])cc1 c1cnc(nc1)[*:1] C[C@@H]([NH2+]C[C@H]1CCCN(C1)[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@@H]([NH2+]C[C@H]1CCCN(c2ncccn2)C1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H]([NH2+]C[C@H]1CCCN(C1)c1ncccn1)c1ccc(cc1)[*:1]
C[C@@H](CCCO)[NH2+]Cc1cccc(Cl)c1 OCCC[*:1] C[C@@H]([NH2+]Cc1cccc(Cl)c1)[*:1]
C[C@@H](CCCO)[NH2+]Cc1cccc(Cl)c1 OCC[*:1] C[C@@H](C[*:1])[NH2+]Cc1cccc(Cl)c1
CCN(CC)S(=O)(=O)N1CCN(C(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)CC1 c1ccn(c1)[*:1] CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)c1sc2nc(C)cc(C)c2c1[*:1]
CCn1c(SCC(=O)N(C)Cc2ncnn2C)nc2ccccc21 Cn1ncnc1C[*:1] CCn1c(nc2ccccc21)SCC(=O)N(C)[*:1]
CCn1c(SCC(=O)N(C)Cc2ncnn2C)nc2ccccc21 Cn1ncnc1[*:1] CCn1c(nc2ccccc21)SCC(=O)N(C)C[*:1]
O=C(Nc1ccc(C2CC2)nn1)[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] O=C(Nc1ccc(nn1)C1CC1)[C@@H]1CN(CCO1)C[*:1]
O=C(Nc1ccc(C2CC2)nn1)[C@@H]1CN(Cc2ccccc2)CCO1 C1CC1[*:1] O=C(Nc1ccc(nn1)[*:1])[C@@H]1CN(CCO1)Cc1ccccc1
O=C(Nc1ccc(C2CC2)nn1)[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(nn1)C1CC1)[C@@H]1CN(CCO1)[*:1]
Cc1ccccc1CC(=O)N[C@H](C(=O)N1CCCC1)C(C)C CC(C)[*:1] Cc1ccccc1CC(=O)N[C@H](C(=O)N1CCCC1)[*:1]
Cc1ccccc1CC(=O)N[C@H](C(=O)N1CCCC1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)C[*:1])C(=O)N1CCCC1
Cc1ccccc1CC(=O)N[C@H](C(=O)N1CCCC1)C(C)C O=C(N1CCCC1)[*:1] Cc1ccccc1CC(=O)N[C@H](C(C)C)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2oc(C)nc2C)CC1 CCOC(=O)[*:1] Cc1nc(C)c(o1)C(=O)N1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2oc(C)nc2C)CC1 Cc1nc(C)c(o1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[*:1]
CCC1(CO)CCN(C(=O)Nc2cc(COC)ncn2)CC1 COC[*:1] CCC1(CO)CCN(CC1)C(=O)Nc1cc(ncn1)[*:1]
Cc1nc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)C2)cs1 O=C([O-])[*:1] Cc1nc(cs1)CC(=O)N1C[C@@H]([C@@H](C1)c1ccc2OCOc2c1)[*:1]
Cc1nc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)C2)cs1 Cc1nc(cs1)[*:1] O=C([O-])[C@@H]1CN(C[C@H]1c1ccc2OCOc2c1)C(=O)C[*:1]
Cc1nc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)C2)cs1 Cc1nc(cs1)C[*:1] O=C([O-])[C@@H]1CN(C[C@H]1c1ccc2OCOc2c1)C(=O)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)CN2CCO[C@@H](C)C2)c1 CCCC(=O)N[*:1] C[C@H]1CN(CCO1)CC(=O)NCc1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)CN2CCO[C@@H](C)C2)c1 CCC[*:1] C[C@H]1CN(CCO1)CC(=O)NCc1cccc(c1)NC(=O)[*:1]
O=C(NC[C@H]1CCOC1)Nc1cccc(-c2cccs2)c1 c1csc(c1)[*:1] O=C(NC[C@H]1CCOC1)Nc1cccc(c1)[*:1]
Cc1ccc(NC(=O)N2CCC[C@H]2CN2CCOCC2)c(N(C)C)[nH+]1 CN(C)[*:1] Cc1ccc(NC(=O)N2CCC[C@H]2CN2CCOCC2)c([nH+]1)[*:1]
Cc1ccc(NC(=O)N2CCC[C@H]2CN2CCOCC2)c(N(C)C)[nH+]1 C1CN(CCO1)C[*:1] Cc1ccc(NC(=O)N2CCC[C@@H]2[*:1])c([nH+]1)N(C)C
Cc1ccc(NC(=O)N2CCC[C@H]2CN2CCOCC2)c(N(C)C)[nH+]1 C1CN(CCO1)[*:1] Cc1ccc(NC(=O)N2CCC[C@H]2C[*:1])c([nH+]1)N(C)C
Cc1cccc(C(C)C)c1NC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 Cn1cc(cn1)C(=O)N[*:1] Cc1cccc(c1NC(=O)N1CCC(CC1)C[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] Cc1cccc(c1NC(=O)N1CCC(CC1)CNC(=O)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 CC(C)[*:1] Cc1cccc(c1NC(=O)N1CCC(CC1)CNC(=O)c1cnn(C)c1)[*:1]
C1Cc2nc(C[NH2+]CC[C@@H]3CCCO3)sc2C1 C1CO[C@@H](C1)[*:1] C1Cc2nc(C[NH2+]CC[*:1])sc2C1
C[C@H](C#N)CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 N#Cc1ccccc1[*:1] C[C@H](C#N)CNC(=O)c1ccc(O[*:1])c(Cl)c1
C[C@H](C#N)CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 C[C@H](C#N)CNC(=O)[*:1] N#Cc1ccccc1Oc1ccc(cc1Cl)[*:1]
C/C(CC(=O)NCc1ccccc1)=N/NC(N)=S c1ccc(cc1)[*:1] C/C(CC(=O)NC[*:1])=N/NC(N)=S
O=C(OCCCc1ccncc1)[C@@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(OCCCc1ccncc1)[C@@H]1C[C@H]1[*:1]
O=C(OCCCc1ccncc1)[C@@H]1C[C@@H]1c1ccccc1F c1cc(ccn1)[*:1] O=C(OCCC[*:1])[C@@H]1C[C@@H]1c1ccccc1F
O=C(OCCCc1ccncc1)[C@@H]1C[C@@H]1c1ccccc1F c1cc(ccn1)C[*:1] O=C(OCC[*:1])[C@@H]1C[C@@H]1c1ccccc1F
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NCC(=O)N1CCc2ccccc2C1 CCOC(=O)[*:1] O=C(CNc1scc(-c2ccc(Cl)cc2)c1[*:1])N1CCc2ccccc2C1
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NCC(=O)N1CCc2ccccc2C1 Clc1ccc(cc1)[*:1] CCOC(=O)c1c(csc1NCC(=O)N1CCc2ccccc2C1)[*:1]
COc1ccccc1[C@@H]1C(C#N)=C(N)OC2=c3ccccc3=[NH+]C(=O)[C@@H]21 COc1ccccc1[*:1] N#CC1=C(N)OC2=c3ccccc3=[NH+]C(=O)[C@@H]2[C@@H]1[*:1]
O=C(Cc1nc2ccccc2s1)c1ccsc1 c1cc(cs1)[*:1] O=C(Cc1nc2ccccc2s1)[*:1]
CC[C@H](NC(=O)c1nn(C)cc1C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)c1nn(C)cc1C(=O)[O-])[*:1]
CC[C@H](NC(=O)c1nn(C)cc1C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CC[C@H](NC(=O)c1nn(C)cc1[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccno3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(c1ccno1)N1CCC(CC1)CNS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccno3)CC2)c(C)c1 c1cc(on1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
Cc1ccc(NC(=S)NC(=O)C(C)(C)C)c(O)c1 CC(C)(C)[*:1] Cc1ccc(NC(=S)NC(=O)[*:1])c(O)c1
O=C(C1CCN(c2cccc(Cl)c2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 Clc1cccc(c1)[*:1] O=C(C1CCN(CC1)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(C1CCN(c2cccc(Cl)c2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(C1CCN(CC1)c1cccc(Cl)c1)N1CCN(CC1)C[*:1]
O=C(C1CCN(c2cccc(Cl)c2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] O=C(C1CCN(CC1)c1cccc(Cl)c1)N1CCN(CC1)[*:1]
CCOCCN(C)S(=O)(=O)c1ccc2c(c1)N(C)CCC2 CCOC[*:1] CN1CCCc2ccc(cc21)S(=O)(=O)N(C)C[*:1]
CCOCCN(C)S(=O)(=O)c1ccc2c(c1)N(C)CCC2 CCOCC[*:1] CN1CCCc2ccc(cc21)S(=O)(=O)N(C)[*:1]
CCOCCN(C)S(=O)(=O)c1ccc2c(c1)N(C)CCC2 CCO[*:1] CN1CCCc2ccc(cc21)S(=O)(=O)N(C)CC[*:1]
Cc1n[nH]c([O-])c1[C@H](c1c(C)[nH][nH]c1=O)[C@@H]1CN(Cc2cccc3ccccc23)c2ccccc21 c1ccc2c(cccc2c1)[*:1] Cc1n[nH]c([O-])c1[C@H](c1c(C)[nH][nH]c1=O)[C@@H]1CN(C[*:1])c2ccccc21
Cc1n[nH]c([O-])c1[C@H](c1c(C)[nH][nH]c1=O)[C@@H]1CN(Cc2cccc3ccccc23)c2ccccc21 c1ccc2c(cccc2c1)C[*:1] Cc1n[nH]c([O-])c1[C@H](c1c(C)[nH][nH]c1=O)[C@@H]1CN(c2ccccc21)[*:1]
Cc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cs2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1)-c1nc(cs1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cs2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1nc(cs1)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
Cc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(c1csc(n1)[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
CCCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(O)c(OCC)c1 CCC[*:1] CCOc1cc(ccc1O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)S[*:1]
CCCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(O)c(OCC)c1 CCO[*:1] CCCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(O)c(c1)[*:1]
Cc1ccc(/C=C/C(=O)Nc2ccc(CC#N)cc2)cc1 Cc1ccc(cc1)[*:1] N#CCc1ccc(cc1)NC(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)Nc2ccc(CC#N)cc2)cc1 N#CC[*:1] Cc1ccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])cc1
CN(CC(N)=O)c1ccccc1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] CN(CC(N)=O)c1ccccc1[*:1]
CN(CC(N)=O)c1ccccc1/C=C/C(=O)[O-] NC(=O)C[*:1] CN(c1ccccc1/C=C/C(=O)[O-])[*:1]
CN(CC(N)=O)c1ccccc1/C=C/C(=O)[O-] NC(=O)[*:1] CN(C[*:1])c1ccccc1/C=C/C(=O)[O-]
CN(CC(N)=O)c1ccccc1/C=C/C(=O)[O-] O=C([O-])[*:1] CN(CC(N)=O)c1ccccc1C=C[*:1]
Cc1nc(C)c(C(=O)N(Cc2ccccc2)[C@H](C)CCO)o1 c1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)N(C[*:1])[C@H](C)CCO
Cc1nc(C)c(C(=O)N(Cc2ccccc2)[C@H](C)CCO)o1 OCC[*:1] Cc1nc(C)c(o1)C(=O)N(Cc1ccccc1)[C@H](C)[*:1]
Cc1nc(C)c(C(=O)N(Cc2ccccc2)[C@H](C)CCO)o1 Cc1nc(C)c(o1)[*:1] C[C@H](CCO)N(Cc1ccccc1)C(=O)[*:1]
Cc1nc(C)c(C(=O)N(Cc2ccccc2)[C@H](C)CCO)o1 c1ccc(cc1)C[*:1] Cc1nc(C)c(o1)C(=O)N([C@H](C)CCO)[*:1]
COC(=O)CN(CC(=O)N1CCC[C@H](C)C1)Cc1ccc(Cl)cc1 COC(=O)[*:1] C[C@H]1CCCN(C1)C(=O)CN(Cc1ccc(Cl)cc1)C[*:1]
COC(=O)CN(CC(=O)N1CCC[C@H](C)C1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)CN(CC(=O)N1CCC[C@H](C)C1)C[*:1]
COC(=O)CN(CC(=O)N1CCC[C@H](C)C1)Cc1ccc(Cl)cc1 COC(=O)C[*:1] C[C@H]1CCCN(C1)C(=O)CN(Cc1ccc(Cl)cc1)[*:1]
COC(=O)CN(CC(=O)N1CCC[C@H](C)C1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COC(=O)CN(CC(=O)N1CCC[C@H](C)C1)[*:1]
Cc1nc(C(C)C)sc1[C@H](C)NCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1nc(sc1[C@H](C)NCC(=O)N[*:1])C(C)C
Cc1nc(C(C)C)sc1[C@H](C)NCC(=O)NC1CCCCC1 CC(C)[*:1] Cc1nc(sc1[C@H](C)NCC(=O)NC1CCCCC1)[*:1]
O=C(NC[C@H]1COc2ccccc2O1)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NC[C@H]1COc2ccccc2O1)c1cnn(c1)[*:1]
Cc1cccc2sc(Nc3ncnc(NNC(=O)Cc4ccccc4)c3[N+](=O)[O-])nc12 c1ccc(cc1)C[*:1] Cc1cccc2sc(nc12)Nc1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
Cc1cccc2sc(Nc3ncnc(NNC(=O)Cc4ccccc4)c3[N+](=O)[O-])nc12 c1ccc(cc1)[*:1] Cc1cccc2sc(nc12)Nc1ncnc(NNC(=O)C[*:1])c1[N+](=O)[O-]
Cc1cccc2sc(Nc3ncnc(NNC(=O)Cc4ccccc4)c3[N+](=O)[O-])nc12 O=[N+]([O-])[*:1] Cc1cccc2sc(nc12)Nc1ncnc(NNC(=O)Cc2ccccc2)c1[*:1]
Cc1cccc2sc(Nc3ncnc(NNC(=O)Cc4ccccc4)c3[N+](=O)[O-])nc12 Cc1cccc2sc(nc12)[*:1] O=C(Cc1ccccc1)NNc1ncnc(N[*:1])c1[N+](=O)[O-]
O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1 O=C([O-])CC[*:1] O=S(=O)(Nc1cccc(I)c1)c1ccc(cc1)[*:1]
O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1 O=C([O-])C[*:1] O=S(=O)(Nc1cccc(I)c1)c1ccc(cc1)C[*:1]
O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1 Ic1cccc(c1)[*:1] O=C([O-])CCc1ccc(cc1)S(=O)(=O)N[*:1]
O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1 O=C([O-])[*:1] O=S(=O)(Nc1cccc(I)c1)c1ccc(cc1)CC[*:1]
Cn1cc(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2ccc(cc2)-c2cn3CCCCc3[nH+]2)c(n1)[*:1]
O=C1C[C@@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 c1ccc(cc1)[*:1] O=C1C[C@H](C2C(=O)C[C@H](CC=2N1)[*:1])c1cccc(Br)c1
O=C1C[C@@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 Brc1cccc(c1)[*:1] O=C1C[C@@H](C2C(=O)C[C@@H](CC=2N1)c1ccccc1)[*:1]
CCCC/C=N/NC(=O)c1ccc(Cl)cc1Cl CCC[*:1] O=C(N/N=C/C[*:1])c1ccc(Cl)cc1Cl
CCCC/C=N/NC(=O)c1ccc(Cl)cc1Cl CCCC[*:1] O=C(NN=C[*:1])c1ccc(Cl)cc1Cl
CCOc1ccc(C(NC(=O)c2ccc(C)cc2)NC(=O)c2ccc(C)cc2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NC(NC(=O)c1ccc(C)cc1)[*:1]
CCOc1ccc(C(NC(=O)c2ccc(C)cc2)NC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)C(NC(=O)c1ccc(C)cc1)NC(=O)[*:1]
CCOc1ccc(C(NC(=O)c2ccc(C)cc2)NC(=O)c2ccc(C)cc2)cc1 CCO[*:1] Cc1ccc(cc1)C(=O)NC(NC(=O)c1ccc(C)cc1)c1ccc(cc1)[*:1]
CCOc1ccc(C(NC(=O)c2ccc(C)cc2)NC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)C(=O)N[*:1] CCOc1ccc(cc1)C(NC(=O)c1ccc(C)cc1)[*:1]
C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2ccc3c(c2)OCO3)c1 C#Cc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)CCc1ccc2OCOc2c1
C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1[*:1] C#Cc1cccc(c1)NC(=O)CN(C)C(=O)CC[*:1]
COCc1cccc(CNC(=O)Cc2ccc(C)c(O)c2)c1 COC[*:1] Cc1ccc(cc1O)CC(=O)NCc1cccc(c1)[*:1]
C[C@@H](c1ccco1)N(C(=O)NCc1ccccc1OC1CCC1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)NCc1ccccc1OC1CCC1)C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)NCc1ccccc1OC1CCC1)C1CC1 C1CC(C1)[*:1] C[C@@H](c1ccco1)N(C(=O)NCc1ccccc1O[*:1])C1CC1
C[C@@H](c1ccco1)N(C(=O)NCc1ccccc1OC1CCC1)C1CC1 C1CC(C1)O[*:1] C[C@@H](c1ccco1)N(C(=O)NCc1ccccc1[*:1])C1CC1
C[C@@H](c1ccco1)N(C(=O)NCc1ccccc1OC1CCC1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)NCc1ccccc1OC1CCC1)[*:1]
CC(=O)NC1(c2noc(CCC(=O)O[C@@H]3CCC[C@H](C)C3)n2)CCCCCC1 CC(=O)N[*:1] C[C@H]1CCC[C@H](C1)OC(=O)CCc1nc(no1)C1(CCCCCC1)[*:1]
COc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)c1ccc(cc1)[*:1] COc1ccc(cc1)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[*:1]
COc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 COc1ccc(cc1)C[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+][*:1]
COc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[*:1]
Nn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1-c1n[nH]c2c1CCC2 Clc1ccc(cc1Cl)[*:1] Nn1c(nnc1-c1n[nH]c2CCCc12)SCC(=O)[*:1]
Nn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1-c1n[nH]c2c1CCC2 C1Cc2[nH]nc(c2C1)[*:1] Nn1c(nnc1[*:1])SCC(=O)c1ccc(Cl)c(Cl)c1
CCc1cccc(OCCSc2nnc(C)s2)c1 Cc1nnc(s1)[*:1] CCc1cccc(c1)OCCS[*:1]
CC(C)[NH+](CC(=O)NC(=O)Nc1ccc(C#N)cc1)Cc1cccnc1 c1cncc(c1)C[*:1] CC(C)[NH+](CC(=O)NC(=O)Nc1ccc(C#N)cc1)[*:1]
CC(C)[NH+](CC(=O)NC(=O)Nc1ccc(C#N)cc1)Cc1cccnc1 c1cncc(c1)[*:1] CC(C)[NH+](CC(=O)NC(=O)Nc1ccc(C#N)cc1)C[*:1]
CC(C)[NH+](CC(=O)NC(=O)Nc1ccc(C#N)cc1)Cc1cccnc1 CC(C)[*:1] N#Cc1ccc(cc1)NC(=O)NC(=O)C[NH+](Cc1cccnc1)[*:1]
CC(C)[NH+](CC(=O)NC(=O)Nc1ccc(C#N)cc1)Cc1cccnc1 N#Cc1ccc(cc1)[*:1] CC(C)[NH+](CC(=O)NC(=O)N[*:1])Cc1cccnc1
Cc1nc2ccccc2nc1COC(=O)c1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc2ccccc2nc1COC(=O)c1cnn(n1)[*:1]
O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1cnns1 c1nnsc1[*:1] O=C(Nc1ccn(n1)-c1ccc(Cl)cc1Cl)[*:1]
CCc1ccc([C@H](CO)NC(=O)Cc2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] CCc1ccc(cc1)[C@H](CO)NC(=O)C[*:1]
CCc1ccc([C@H](CO)NC(=O)Cc2ccc(C)o2)cc1 Cc1ccc(C[*:1])o1 CCc1ccc(cc1)[C@H](CO)NC(=O)[*:1]
COCC[C@@H](C)/C([O-])=N/S(=O)(=O)C1=Cc2ccccc2CC1 COC[*:1] C[C@H](C[*:1])/C([O-])=N/S(=O)(=O)C1=Cc2ccccc2CC1
COCC[C@@H](C)/C([O-])=N/S(=O)(=O)C1=Cc2ccccc2CC1 COCC[*:1] C[C@@H](/C([O-])=N/S(=O)(=O)C1=Cc2ccccc2CC1)[*:1]
Cc1nn(C)c(C[C@@H](O)c2ccc(CC(C)C)cc2)c1Cl CC(C)C[*:1] Cc1nn(C)c(C[C@@H](O)c2ccc(cc2)[*:1])c1Cl
Cc1nn(C)c(C[C@@H](O)c2ccc(CC(C)C)cc2)c1Cl CC(C)[*:1] Cc1nn(C)c(C[C@@H](O)c2ccc(cc2)C[*:1])c1Cl
O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)NC1CC1 C1CC1[*:1] O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)N[*:1]
O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)NC1CC1 O=C(C[*:1])NC1CC1 Clc1ccccc1-c1nnc(S[*:1])n1Cc1ccccc1
O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)NC1CC1 c1ccc(cc1)C[*:1] O=C(CSc1nnc(-c2ccccc2Cl)n1[*:1])NC1CC1
O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)NC1CC1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2Cl)n1C[*:1])NC1CC1
O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)NC1CC1 Clc1ccccc1[*:1] O=C(CSc1nnc(n1Cc1ccccc1)[*:1])NC1CC1
O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)NC1CC1 O=C(NC1CC1)[*:1] Clc1ccccc1-c1nnc(SC[*:1])n1Cc1ccccc1
O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)NC1CC1 O=C(CS[*:1])NC1CC1 Clc1ccccc1-c1nnc(n1Cc1ccccc1)[*:1]
COc1ccc(NC(=O)C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)C(=O)NCCc1csc(n1)[*:1]
COc1ccc(NC(=O)C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 COc1ccc(cc1)[*:1] O=C(NCCc1csc(n1)-c1cccc(F)c1)C(=O)N[*:1]
Cc1ccccc1-c1nnc(NC(=O)[C@@H](C)Sc2ccccc2)s1 Cc1ccccc1[*:1] C[C@@H](Sc1ccccc1)C(=O)Nc1nnc(s1)[*:1]
Cc1ccccc1-c1nnc(NC(=O)[C@@H](C)Sc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccccc1-c1nnc(NC(=O)[C@@H](C)S[*:1])s1
Cc1ccccc1-c1nnc(NC(=O)[C@@H](C)Sc2ccccc2)s1 c1ccc(cc1)S[*:1] Cc1ccccc1-c1nnc(NC(=O)[C@@H](C)[*:1])s1
Cc1cc(C)c(NC(=O)CNC(=O)/C=C/c2ccccc2Br)c(C)c1 Brc1ccccc1[*:1] Cc1cc(C)c(NC(=O)CNC(=O)C=C[*:1])c(C)c1
C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)C1CCCC1 C1CCC(C1)[*:1] C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCN(C(N)=O)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)C1CCN(CC1)C(N)=O)[*:1]
Cc1sc(NC(=O)CN(Cc2ccccc2)C2CC[NH+](C)CC2)c(C#N)c1C c1ccc(cc1)C[*:1] Cc1sc(NC(=O)CN(C2CC[NH+](C)CC2)[*:1])c(C#N)c1C
Cc1sc(NC(=O)CN(Cc2ccccc2)C2CC[NH+](C)CC2)c(C#N)c1C Cc1sc(c(C#N)c1C)[*:1] C[NH+]1CCC(CC1)N(CC(=O)N[*:1])Cc1ccccc1
Cc1sc(NC(=O)CN(Cc2ccccc2)C2CC[NH+](C)CC2)c(C#N)c1C c1ccc(cc1)[*:1] Cc1sc(NC(=O)CN(C[*:1])C2CC[NH+](C)CC2)c(C#N)c1C
NC(=O)[C@@H]1CCN(C(=O)COc2cc(F)ccc2F)c2ccccc21 Fc1ccc(F)c(c1)[*:1] NC(=O)[C@@H]1CCN(C(=O)CO[*:1])c2ccccc21
NC(=O)[C@@H]1CCN(C(=O)COc2cc(F)ccc2F)c2ccccc21 NC(=O)[*:1] O=C(COc1cc(F)ccc1F)N1CC[C@H](c2ccccc21)[*:1]
CCCn1c(C)nnc1Sc1nccn(CC(C)C)c1=O CC(C)C[*:1] CCCn1c(C)nnc1Sc1nccn(c1=O)[*:1]
CCCn1c(C)nnc1Sc1nccn(CC(C)C)c1=O CCC[*:1] Cc1nnc(Sc2nccn(CC(C)C)c2=O)n1[*:1]
CCCn1c(C)nnc1Sc1nccn(CC(C)C)c1=O CC(C)[*:1] CCCn1c(C)nnc1Sc1nccn(C[*:1])c1=O
CC[NH2+]Cc1ccc(OC[C@H]2CNC(=O)O2)cn1 O=C1NC[C@@H](O1)[*:1] CC[NH2+]Cc1ccc(cn1)OC[*:1]
Cc1cc(N2CCN(C(=O)COc3ccccc3C#N)CC2)n2ncnc2n1 N#Cc1ccccc1[*:1] Cc1cc(N2CCN(CC2)C(=O)CO[*:1])n2ncnc2n1
Cc1cc(N2CCN(C(=O)COc3ccccc3C#N)CC2)n2ncnc2n1 N#Cc1ccccc1O[*:1] Cc1cc(N2CCN(CC2)C(=O)C[*:1])n2ncnc2n1
O=C(CCn1ccc(=O)[nH]c1=O)NCc1cc(-c2ccc(F)cc2)on1 O=c1ccn(c(=O)[nH]1)[*:1] O=C(CC[*:1])NCc1cc(on1)-c1ccc(F)cc1
O=C(CCn1ccc(=O)[nH]c1=O)NCc1cc(-c2ccc(F)cc2)on1 Fc1ccc(cc1)[*:1] O=C(CCn1ccc(=O)[nH]c1=O)NCc1cc(on1)[*:1]
Cc1nc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)cs1 O=[N+]([O-])[*:1] Cc1nc(cs1)-c1nnc(NC(=O)c2ccc(s2)[*:1])o1
Cc1nc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(s1)[N+](=O)[O-]
CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc[nH]n2)c1 CNS(=O)(=O)[*:1] O=C(Nc1nc[nH]n1)c1cc(ccc1Cl)[*:1]
O=[N+]([O-])c1ccc(F)c(/N=C2/CCCCCN2)c1 O=[N+]([O-])[*:1] Fc1ccc(cc1/N=C1/CCCCCN1)[*:1]
CCc1cc(Nc2ccc(CC(=O)N(C)C)cc2)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CCc1cc(nc(n1)[*:1])Nc1ccc(cc1)CC(=O)N(C)C
CCc1cc(Nc2ccc(CC(=O)N(C)C)cc2)nc(-c2ccncc2)n1 CN(C)C(=O)C[*:1] CCc1cc(nc(n1)-c1ccncc1)Nc1ccc(cc1)[*:1]
CCc1cc(Nc2ccc(CC(=O)N(C)C)cc2)nc(-c2ccncc2)n1 CN(C)C(=O)[*:1] CCc1cc(nc(n1)-c1ccncc1)Nc1ccc(cc1)C[*:1]
COc1cc(CN(C(=O)Nc2cccc(N(C)C(C)C)c2)C2CC2)ccc1O CC(C)N(C)[*:1] COc1cc(ccc1O)CN(C(=O)Nc1cccc(c1)[*:1])C1CC1
COc1cc(CN(C(=O)Nc2cccc(N(C)C(C)C)c2)C2CC2)ccc1O CC(C)[*:1] COc1cc(ccc1O)CN(C(=O)Nc1cccc(c1)N(C)[*:1])C1CC1
COc1cc(CN(C(=O)Nc2cccc(N(C)C(C)C)c2)C2CC2)ccc1O C1CC1[*:1] COc1cc(ccc1O)CN(C(=O)Nc1cccc(c1)N(C)C(C)C)[*:1]
COc1cc(CN(C(=O)Nc2cccc(N(C)C(C)C)c2)C2CC2)ccc1O COc1cc(ccc1O)[*:1] CC(C)N(C)c1cccc(c1)NC(=O)N(C[*:1])C1CC1
CSCC[C@@H](C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CSCC[C@@H](C)NC(=O)Cn1nnc(n1)[*:1]
CSCC[C@@H](C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 CSCC[*:1] C[C@@H](NC(=O)Cn1nnc(n1)-c1ccc(Cl)cc1)[*:1]
CSCC[C@@H](C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 CSC[*:1] C[C@H](C[*:1])NC(=O)Cn1nnc(n1)-c1ccc(Cl)cc1
CSCC[C@@H](C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 CSCC[C@@H](C)[*:1] O=C(Cn1nnc(n1)-c1ccc(Cl)cc1)N[*:1]
C[C@H](NC(=O)C1CCCC1)c1ccccc1N C1CCC(C1)[*:1] C[C@H](NC(=O)[*:1])c1ccccc1N
COc1ccc2c(c1)CCc1cc(C(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)sc1-2 NS(=O)(=O)c1cccc(c1)[*:1] COc1ccc2c(c1)CCc1cc(sc1-2)C(=O)OCC(=O)N[*:1]
COc1ccc2c(c1)CCc1cc(C(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)sc1-2 NS(=O)(=O)[*:1] COc1ccc2c(c1)CCc1cc(sc1-2)C(=O)OCC(=O)Nc1cccc(c1)[*:1]
CC(C)[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2S1 CC(C)[*:1] c1ccc2S[C@@H](Cc2c1)CN1CC[NH2+]C[C@H]1[*:1]
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1c(=O)cc(C)c2cccc(C)c21 O=S(=O)(N1CCCCC1)[*:1] CC[C@@H](C(=O)Nc1ccc(cc1)[*:1])n1c(=O)cc(C)c2cccc(C)c21
CCCN(C[C@H]1C=c2cccc(C)c2=[NH+]C1=O)C(=O)c1ccco1 CCC[*:1] Cc1cccc2=C[C@H](CN(C(=O)c3ccco3)[*:1])C(=O)[NH+]=c12
CCCN(C[C@H]1C=c2cccc(C)c2=[NH+]C1=O)C(=O)c1ccco1 c1coc(c1)[*:1] CCCN(C[C@H]1C=c2cccc(C)c2=[NH+]C1=O)C(=O)[*:1]
Cc1ccc(CNC(=O)N2C[C@@H](C)C[C@H](C)C2)s1 Cc1ccc(s1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)NC[*:1]
CC(=O)Nc1c(C)cc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1C CC(C)=C[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)[C@H]1[C@@H](C1(C)C)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1C CC(=O)N[*:1] CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(C)c(c(C)c2)[*:1])C1(C)C
O=C(Nc1ccc(-n2nccn2)cc1)C1=Cc2ccccc2OC1 c1cnn(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])C1=Cc2ccccc2OC1
CCn1cc(S(=O)(=O)N[C@H]2CCc3c(Br)cccc32)cn1 CCn1cc(cn1)[*:1] O=S(=O)(N[C@H]1CCc2c(Br)cccc21)[*:1]
CNC(=O)NCC(=O)N1CC[C@H](CC(C)C)C1 CC(C)[*:1] CNC(=O)NCC(=O)N1CC[C@@H](C1)C[*:1]
CNC(=O)NCC(=O)N1CC[C@H](CC(C)C)C1 CC(C)C[*:1] CNC(=O)NCC(=O)N1CC[C@H](C1)[*:1]
CNC(=O)NCC(=O)N1CC[C@H](CC(C)C)C1 CNC(=O)N[*:1] CC(C)C[C@H]1CCN(C1)C(=O)C[*:1]
COc1cc(-c2cc(-c3ccc(N(C)C)nc3)c(C#N)c(N)n2)ccc1O CN(C)c1ccc(cn1)[*:1] COc1cc(ccc1O)-c1cc(c(C#N)c(N)n1)[*:1]
COc1cc(-c2cc(-c3ccc(N(C)C)nc3)c(C#N)c(N)n2)ccc1O CN(C)[*:1] COc1cc(ccc1O)-c1cc(-c2ccc(nc2)[*:1])c(C#N)c(N)n1
COc1cc(-c2cc(-c3ccc(N(C)C)nc3)c(C#N)c(N)n2)ccc1O COc1cc(ccc1O)[*:1] CN(C)c1ccc(cn1)-c1cc(nc(N)c1C#N)[*:1]
C[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)N1CC[NH+](C)CC1 CC(C)(C)[*:1] C[C@H](CNC(=O)c1cn(C)nc1[*:1])N1CC[NH+](C)CC1
NC(=S)[C@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)CCO1 NC(=S)[*:1] O=C(c1cc(F)c(F)c(F)c1)N1CCO[C@H](C1)[*:1]
COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C(N)=O)cc1F NC(=O)[*:1] COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2[*:1])cc1F
C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)NC[*:1]
C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)N[*:1]
Cc1cc(C)c2c(c1)N(C(=O)CSc1nncs1)CCC2 c1nnc(SC[*:1])s1 Cc1cc(C)c2CCCN(C(=O)[*:1])c2c1
Cc1cc(C)c2c(c1)N(C(=O)CSc1nncs1)CCC2 c1nnc(S[*:1])s1 Cc1cc(C)c2CCCN(C(=O)C[*:1])c2c1
Cc1cc(C)c2c(c1)N(C(=O)CSc1nncs1)CCC2 c1nnc(s1)[*:1] Cc1cc(C)c2CCCN(C(=O)CS[*:1])c2c1
CN(C)C(=O)Cc1ccccc1NCC(=O)NC1(C#N)CCCC1 CN(C)C(=O)C[*:1] N#CC1(CCCC1)NC(=O)CNc1ccccc1[*:1]
CN(C)C(=O)Cc1ccccc1NCC(=O)NC1(C#N)CCCC1 CN(C)C(=O)[*:1] N#CC1(CCCC1)NC(=O)CNc1ccccc1C[*:1]
CN(C)C(=O)Cc1ccccc1NCC(=O)NC1(C#N)CCCC1 N#CC1(CCCC1)[*:1] CN(C)C(=O)Cc1ccccc1NCC(=O)N[*:1]
CO[C@@H](CN[C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1 c1nnnn1[*:1] CO[C@@H](CN[C@@H](C)c1ccc(cc1)[*:1])c1ccc(F)cc1
CO[C@@H](CN[C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CN[C@@H](C)c1ccc(cc1)-n1cnnn1)[*:1]
Cc1ccc([C@H](CNC(=O)c2cc3ccccc3nc2N2CCCC2)[NH+]2CCCC2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1cc2ccccc2nc1N1CCCC1
Cc1ccc([C@H](CNC(=O)c2cc3ccccc3nc2N2CCCC2)[NH+]2CCCC2)o1 C1CCN(C1)[*:1] Cc1ccc(o1)[C@H](CNC(=O)c1cc2ccccc2nc1[*:1])[NH+]1CCCC1
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1 CC(C)(C)[*:1] [NH3+]CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
COc1cccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)c1 COc1cccc(c1)[*:1] Cc1cc([O-])c(C2C[C@H](SCCN=2)[*:1])c(=O)o1
COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)[nH]n2)c1 COc1ccc(cc1OC)[*:1] COc1cccc(c1)-c1cc([nH]n1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)[nH]n2)c1 COc1cccc(c1)[*:1] COc1ccc(cc1OC)C(=O)N1CCN(CC1)C(=O)c1cc(n[nH]1)[*:1]
CC[C@@H](C)c1ccc(NC(=O)Cc2ccccc2OC)cc1 CC[C@@H](C)[*:1] COc1ccccc1CC(=O)Nc1ccc(cc1)[*:1]
C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCC1(c2ccc(F)cc2)CCC1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCC1(CCC1)[*:1]
CCc1cc(OC)c(OC)cc1C(=O)Nc1cccc(O)c1 Oc1cccc(c1)[*:1] CCc1cc(OC)c(cc1C(=O)N[*:1])OC
COc1ccc(N(C(=O)c2c[nH]c3nccc(Cl)c23)[C@H](C)C2CC2)cc1 COc1ccc(cc1)[*:1] C[C@H](C1CC1)N(C(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
COc1ccc(N(C(=O)c2c[nH]c3nccc(Cl)c23)[C@H](C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)N(C(=O)c1c[nH]c2nccc(Cl)c12)[C@H](C)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1C CC(C)(C)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)[C@H]1CCCN(C1)C(=O)C(C)(C)C
C=CCN1CCN(Cc2ccccn2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O C=CC[*:1] O=C1[C@@H](Cc2ccc(cc2)-c2ccncc2)CN(CCN1[*:1])Cc1ccccn1
C=CCN1CCN(Cc2ccccn2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O c1ccc(nc1)[*:1] C=CCN1CCN(C[C@H](Cc2ccc(cc2)-c2ccncc2)C1=O)C[*:1]
C=CCN1CCN(Cc2ccccn2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O c1ccc(C[*:1])nc1 C=CCN1CCN(C[C@H](Cc2ccc(cc2)-c2ccncc2)C1=O)[*:1]
C=CCN1CCN(Cc2ccccn2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O c1cc(ccn1)[*:1] C=CCN1CCN(Cc2ccccn2)C[C@H](Cc2ccc(cc2)[*:1])C1=O
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](C)Cl)c1 C[C@H](Cl)C(=O)N[*:1] CCN(CC)S(=O)(=O)c1ccc(OC)c(c1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](C)Cl)c1 C[C@H](Cl)[*:1] CCN(CC)S(=O)(=O)c1ccc(OC)c(c1)NC(=O)[*:1]
CCCn1nnnc1C[S@@](=O)Cc1cc(-c2cccs2)on1 CCC[*:1] O=[S@@](Cc1cc(on1)-c1cccs1)Cc1nnnn1[*:1]
CCCn1nnnc1C[S@@](=O)Cc1cc(-c2cccs2)on1 c1csc(c1)[*:1] CCCn1nnnc1C[S@@](=O)Cc1cc(on1)[*:1]
Cc1ncc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccnc2)s1 c1cncc(c1)[*:1] Cc1ncc(s1)[C@@H](C)[NH2+]CCNS(=O)(=O)[*:1]
Cc1ncc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccnc2)s1 Cc1ncc(s1)[*:1] C[C@@H]([NH2+]CCNS(=O)(=O)c1cccnc1)[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)N2CCOC[C@@H]2CC(C)C)n1 Cc1cc(C)n(n1)[*:1] CC(C)C[C@H]1COCCN1C(=O)Nc1ccccc1[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)N2CCOC[C@@H]2CC(C)C)n1 CC(C)C[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)N1CCOC[C@H]1[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)N2CCOC[C@@H]2CC(C)C)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)N1CCOC[C@@H]1C[*:1]
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C)c3)c2)CC1 Cc1cccc(c1)[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CC2)nc1 c1ccc(cc1)C[*:1] O=C(C[*:1])Nc1ccc(nc1)NC(=O)C1CC1
O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CC2)nc1 C1CC1[*:1] O=C(CCc1ccccc1)Nc1ccc(nc1)NC(=O)[*:1]
O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CC2)nc1 O=C(N[*:1])C1CC1 O=C(CCc1ccccc1)Nc1ccc(nc1)[*:1]
O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CC2)nc1 c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1ccc(nc1)NC(=O)C1CC1
C[C@@H]1Oc2c(cccc2C(=O)Nc2cccc(-c3nc[nH]n3)c2)NC1=O c1nc(n[nH]1)[*:1] C[C@@H]1Oc2c(cccc2C(=O)Nc2cccc(c2)[*:1])NC1=O
CCCCNC(=O)NNC(=O)c1ccc(C=O)cc1 CCCC[*:1] O=Cc1ccc(cc1)C(=O)NNC(=O)N[*:1]
CCCCNC(=O)NNC(=O)c1ccc(C=O)cc1 CCC[*:1] O=Cc1ccc(cc1)C(=O)NNC(=O)NC[*:1]
CC1(C)[C@@H]2CC[C@@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)C(=O)C2 N#Cc1ccc(cc1)[*:1] CC1(C)[C@@H]2CC[C@]1(C(=O)C2)C(=O)Oc1ccc(cc1)[*:1]
Cc1ccc(C(=O)N(C)Cc2ccn(-c3ccccc3)n2)c(=O)[nH]1 Cc1ccc(c(=O)[nH]1)[*:1] CN(Cc1ccn(n1)-c1ccccc1)C(=O)[*:1]
Cc1ccc(C(=O)N(C)Cc2ccn(-c3ccccc3)n2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)N(C)Cc2ccn(n2)[*:1])c(=O)[nH]1
COc1ccc([C@H]([NH2+]CC2(SC)CCOCC2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H]([NH2+]CC1(CCOCC1)SC)[*:1]
CC(C)[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc2c(c1)CCO2 O[C@H](c1ccsc1)[*:1] CC(C)[C@H]([NH2+]C[*:1])c1ccc2OCCc2c1
CC(C)[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc2c(c1)CCO2 CC(C)[*:1] O[C@@H](C[NH2+][C@H](c1ccc2OCCc2c1)[*:1])c1ccsc1
CC(C)[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc2c(c1)CCO2 c1cc(cs1)[*:1] CC(C)[C@H]([NH2+]C[C@H](O)[*:1])c1ccc2OCCc2c1
Cc1cccc(N2C(=O)S/C(=C\C=C\c3ccco3)C2=O)c1C c1coc(c1)[*:1] Cc1cccc(c1C)N1C(=O)S/C(=C\C=C[*:1])C1=O
Cc1cccc(N2C(=O)S/C(=C\C=C\c3ccco3)C2=O)c1C C(=C[*:1])c1ccco1 Cc1cccc(c1C)N1C(=O)SC(=C[*:1])C1=O
Cc1ccc2cc(C[NH2+]C(C)(C)C)c(=O)[nH]c2c1 CC(C)(C)[*:1] Cc1ccc2cc(C[NH2+][*:1])c(=O)[nH]c2c1
CCn1c(C(=O)NC[C@H](O)c2c(F)cccc2F)cc2ccccc21 Fc1cccc(F)c1[*:1] CCn1c(cc2ccccc21)C(=O)NC[C@H](O)[*:1]
CC(C)(C)c1ccc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
CC(C)(C)c1ccc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 c1ccc(cc1)C[*:1] CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)c1nn(c(=O)c2ccccc12)[*:1]
CC(C)(C)c1ccc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 c1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)c1nn(C[*:1])c(=O)c2ccccc12
CC(C)(C)c1ccc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 CC(C)(C)[*:1] O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(cc1)[*:1]
CC[NH+](Cc1cccc(C(=O)N2CCCCC2)c1)C1CCCCC1 O=C(N1CCCCC1)[*:1] CC[NH+](Cc1cccc(c1)[*:1])C1CCCCC1
Cc1ncc(/C=C/C(=O)OCCCn2nc3ccccn3c2=O)s1 Cc1ncc(C=C[*:1])s1 O=C(OCCCn1nc2ccccn2c1=O)[*:1]
Cc1ncc(/C=C/C(=O)OCCCn2nc3ccccn3c2=O)s1 Cc1ncc(s1)[*:1] O=C(C=C[*:1])OCCCn1nc2ccccn2c1=O
CC[NH2+][C@@H](C)c1ccnc(Oc2ccc(C(C)C)cc2)c1 CC(C)[*:1] CC[NH2+][C@@H](C)c1ccnc(c1)Oc1ccc(cc1)[*:1]
N=C(/N=C(\[O-])[C@H](Sc1ccccc1)c1ccccc1)Nc1nc2ccccc2o1 c1ccc(cc1)[*:1] N=C(/N=C(\[O-])[C@H](S[*:1])c1ccccc1)Nc1nc2ccccc2o1
N=C(/N=C(\[O-])[C@H](Sc1ccccc1)c1ccccc1)Nc1nc2ccccc2o1 c1ccc2oc(nc2c1)[*:1] N=C(/N=C(\[O-])[C@H](Sc1ccccc1)c1ccccc1)N[*:1]
N=C(/N=C(\[O-])[C@H](Sc1ccccc1)c1ccccc1)Nc1nc2ccccc2o1 c1ccc(cc1)[*:1] N=C(/N=C(\[O-])[C@H](Sc1ccccc1)[*:1])Nc1nc2ccccc2o1
N=C(/N=C(\[O-])[C@H](Sc1ccccc1)c1ccccc1)Nc1nc2ccccc2o1 c1ccc(cc1)S[*:1] N=C(/N=C(\[O-])[C@H](c1ccccc1)[*:1])Nc1nc2ccccc2o1
Cc1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1C C1CCC(C1)[*:1] Cc1cccc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])c1C
COc1cccc(-c2cc3c(N4CCCCC4)nccn3n2)c1 C1CCN(CC1)[*:1] COc1cccc(c1)-c1cc2c(nccn2n1)[*:1]
CCO[C@@H](C)c1nc(COc2ccc(F)cc2Cl)cs1 CCO[C@@H](C)[*:1] Fc1ccc(OCc2csc(n2)[*:1])c(Cl)c1
CCO[C@@H](C)c1nc(COc2ccc(F)cc2Cl)cs1 CCO[*:1] C[C@@H](c1nc(cs1)COc1ccc(F)cc1Cl)[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH3+] CC(C)[*:1] C[C@@H]1CC[C@H]([C@H]([NH3+])C1)[*:1]
O=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)Nc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] O=C(CSc1ccc(nn1)NC(=O)c1cccc(F)c1)Nc1cc(ccc1Cl)[*:1]
O=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)Nc1cc(C(F)(F)F)ccc1Cl O=C(N[*:1])c1cccc(F)c1 O=C(CSc1ccc(nn1)[*:1])Nc1cc(ccc1Cl)C(F)(F)F
O=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)Nc1cc(C(F)(F)F)ccc1Cl Fc1cccc(c1)[*:1] O=C(CSc1ccc(nn1)NC(=O)[*:1])Nc1cc(ccc1Cl)C(F)(F)F
O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N[C@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccc(Br)cc1)N[C@H](C(=O)[O-])[*:1]
O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N[C@H](C(=O)[O-])c1ccccc1 Brc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N[C@H](C(=O)[O-])c1ccccc1
O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N[C@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] O=C(Cn1nc(ccc1=O)-c1ccc(Br)cc1)N[C@H](c1ccccc1)[*:1]
S=c1scnn1CN(CCc1ccccc1)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] S=c1scnn1CN(CCc1ccccc1)[*:1]
S=c1scnn1CN(CCc1ccccc1)[C@H]1CCOC1 c1ccc(cc1)[*:1] S=c1scnn1CN(CC[*:1])[C@H]1CCOC1
S=c1scnn1CN(CCc1ccccc1)[C@H]1CCOC1 c1ccc(cc1)C[*:1] S=c1scnn1CN(C[*:1])[C@H]1CCOC1
CCOC(=O)c1coc(NC(=O)NCc2ccc(F)cc2)n1 CCOC(=O)[*:1] O=C(NCc1ccc(F)cc1)Nc1nc(co1)[*:1]
CCOC(=O)c1coc(NC(=O)NCc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCOC(=O)c1coc(n1)NC(=O)NC[*:1]
Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(S(C)(=O)=O)ccc1C CS(=O)(=O)[*:1] Cc1ccc(cc1OC(=O)c1cc(ccc1C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(S(C)(=O)=O)ccc1C O=[N+]([O-])[*:1] Cc1ccc(cc1OC(=O)c1cc(ccc1C)S(C)(=O)=O)[*:1]
CCN(CC)C(=O)N1CCN(Cc2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] CCN(CC)C(=O)N1CCN(CC1)C[*:1]
CCCCCc1ccc(N[C@H]2CC[NH2+]C2)cc1 CCC[*:1] c1cc(ccc1CC[*:1])N[C@H]1CC[NH2+]C1
CCCCCc1ccc(N[C@H]2CC[NH2+]C2)cc1 CCCCC[*:1] c1cc(ccc1N[C@H]1CC[NH2+]C1)[*:1]
CCCCCc1ccc(N[C@H]2CC[NH2+]C2)cc1 CCCC[*:1] c1cc(ccc1C[*:1])N[C@H]1CC[NH2+]C1
Cc1ccccc1N(CC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)S(C)(=O)=O Cc1ccccc1[*:1] CS(=O)(=O)N(CC(=O)Nc1nc(cs1)-c1ccc2NC(=O)CCc2c1)[*:1]
COC(=O)[C@H](NC(=O)Cc1ccc(C)cc1)c1ccc(Cl)c(F)c1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)C[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@H](NC(=O)Cc1ccc(C)cc1)c1ccc(Cl)c(F)c1 COC(=O)[*:1] Cc1ccc(cc1)CC(=O)N[C@H](c1ccc(Cl)c(F)c1)[*:1]
COC(=O)[C@H](NC(=O)Cc1ccc(C)cc1)c1ccc(Cl)c(F)c1 Cc1ccc(cc1)C[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@H](NC(=O)Cc1ccc(C)cc1)c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] COC(=O)[C@H](NC(=O)Cc1ccc(C)cc1)[*:1]
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@H](Oc1ccc(cc1)[N+](=O)[O-])C(=O)Nc1ccccc1[*:1]
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 O=[N+]([O-])[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)Nc1ccccc1C(=O)N1CCOCC1
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccccc1C(=O)N1CCOCC1
O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2[NH+]=c3ccccc3=C2C1 Fc1ccc(cc1)[*:1] O=S(=O)(N1CC[C@@H]2[NH+]=c3ccccc3=C2C1)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)c1cccc(OCc2cccnc2)c1 CCC[*:1] O=C(N[C@@H]1C[C@H]1[*:1])c1cccc(c1)OCc1cccnc1
CCC[C@@H]1C[C@H]1NC(=O)c1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] CCC[C@@H]1C[C@H]1NC(=O)c1cccc(c1)O[*:1]
CCC[C@@H]1C[C@H]1NC(=O)c1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] CCC[C@@H]1C[C@H]1NC(=O)c1cccc(c1)OC[*:1]
Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)[C@@H](C)NS(=O)(=O)[*:1]
Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[*:1]
Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC[*:1]
Cc1cccc(C(=O)NC[C@H](O)c2ccc(F)cc2)c1O Fc1ccc(cc1)[*:1] Cc1cccc(C(=O)NC[C@H](O)[*:1])c1O
O=C(Nc1cc(N2CCCCC2)ncn1)c1c[nH]c(=O)[nH]1 O=c1[nH]cc([nH]1)[*:1] O=C(Nc1cc(ncn1)N1CCCCC1)[*:1]
O=C(Nc1cc(N2CCCCC2)ncn1)c1c[nH]c(=O)[nH]1 C1CCN(CC1)[*:1] O=C(Nc1cc(ncn1)[*:1])c1c[nH]c(=O)[nH]1
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)[C@@H]2C=C(c3ccccn3)N=N2)C1 c1ccc(nc1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)[C@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)[C@@H]2C=C(c3ccccn3)N=N2)C1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)c1ccccn1
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)[C@@H]2C=C(c3ccccn3)N=N2)C1 FC(F)(F)c1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)c1ccccn1
CCOc1cccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C([O-])C(=O)N2C)c1 CCO[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C)[C@@H]1c1cccc(c1)[*:1]
CCOc1cccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C([O-])C(=O)N2C)c1 Cc1nn(C)c(C)c1[*:1] CCOc1cccc(c1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C
CCOc1cccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C([O-])C(=O)N2C)c1 CCOc1cccc(c1)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C)[C@@H]1[*:1]
COC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccccc1 COC(=O)[*:1] O=CN1CCN(CC1)C1=NC(=O)[C@@H]([C@@H](N1)c1ccccc1)[*:1]
COC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H]1C(=O)N=C(N[C@@H]1[*:1])N1CCN(C=O)CC1
Cc1ccn(-c2ccc(N(C)CCc3ccccn3)nn2)n1 c1ccc(C[*:1])nc1 Cc1ccn(n1)-c1ccc(nn1)N(C)C[*:1]
Cc1ccn(-c2ccc(N(C)CCc3ccccn3)nn2)n1 c1ccc(nc1)[*:1] Cc1ccn(n1)-c1ccc(nn1)N(C)CC[*:1]
Cc1ccn(-c2ccc(N(C)CCc3ccccn3)nn2)n1 Cc1ccn(n1)[*:1] CN(CCc1ccccn1)c1ccc(nn1)[*:1]
Cn1cc([C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)[NH+](C)C)cn1 C1CCC(C1)[*:1] Cn1cc(cn1)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1O[*:1])[NH+](C)C
Cn1cc([C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)[NH+](C)C)cn1 Cn1cc(cn1)[*:1] C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
Cn1cc([C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)[NH+](C)C)cn1 C1CCC(C1)O[*:1] Cn1cc(cn1)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[*:1])[NH+](C)C
CC(C)(C)c1noc(CCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)n1 NC(=O)[*:1] CC(C)(C)c1noc(CCCC(=O)N2Cc3ccccc3C[C@@H]2[*:1])n1
CC(C)(C)c1noc(CCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)n1 CC(C)(C)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCc1nc(no1)[*:1]
CC(C)(C)c1noc(CCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)n1 CC(C)(C)c1noc(n1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC[*:1]
O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(Cl)o1 Clc1ccc(o1)[*:1] O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[*:1]
O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(Cl)o1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[NH+]1CCCC1)[*:1])c1ccc(Cl)o1
COC(=O)[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)C(C)C COC(=O)[*:1] CC(C)[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)[*:1]
COC(=O)[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)[*:1]
CCOc1ccccc1OS(=O)(=O)c1sc(Cl)nc1Cl CCO[*:1] O=S(=O)(Oc1ccccc1[*:1])c1sc(Cl)nc1Cl
Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nn1c(S)nc2ccccc2c1=O FC(F)(F)[*:1] Cc1cc(nn1C[C@H](C)C(=O)Nn1c(S)nc2ccccc2c1=O)[*:1]
CCCNc1cccc(CN2CCO[C@@H]3CCC[C@@H]32)[nH+]1 CCC[*:1] c1cc(CN2CCO[C@@H]3CCC[C@@H]32)[nH+]c(c1)N[*:1]
CCCNc1cccc(CN2CCO[C@@H]3CCC[C@@H]32)[nH+]1 CCCN[*:1] c1cc(CN2CCO[C@@H]3CCC[C@@H]32)[nH+]c(c1)[*:1]
COc1ccc(-c2nc(Cn3ccccc3=O)no2)cc1 O=c1ccccn1[*:1] COc1ccc(cc1)-c1nc(C[*:1])no1
O=C(CS[C@H]1CCS(=O)(=O)C1)N(Cc1ccc(F)cc1)C1CC1 C1CC1[*:1] O=C(CS[C@H]1CCS(=O)(=O)C1)N(Cc1ccc(F)cc1)[*:1]
O=C(CS[C@H]1CCS(=O)(=O)C1)N(Cc1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] O=C(CS[C@H]1CCS(=O)(=O)C1)N(C[*:1])C1CC1
Cc1cc(SC(C)(C)C)ccc1NC(=O)N1C[C@H](C)O[C@H](C)C1 CC(C)(C)S[*:1] Cc1cc(ccc1NC(=O)N1C[C@H](C)O[C@H](C)C1)[*:1]
Cc1cc(SC(C)(C)C)ccc1NC(=O)N1C[C@H](C)O[C@H](C)C1 CC(C)(C)[*:1] Cc1cc(ccc1NC(=O)N1C[C@H](C)O[C@H](C)C1)S[*:1]
C=CCNC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl C=CC[*:1] Cc1cc(=O)oc2cc(OCC(=O)N[*:1])c(Cl)cc12
C=CCNC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl C=CCNC(=O)C[*:1] Cc1cc(=O)oc2cc(O[*:1])c(Cl)cc12
C=CCNC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl C=CCNC(=O)[*:1] Cc1cc(=O)oc2cc(OC[*:1])c(Cl)cc12
C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1nc[nH]n1 FC(F)(F)[*:1] C[C@H](NC(=O)C1(CC1)c1cccc(c1)[*:1])c1nc[nH]n1
CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc21 c1ccc(cc1)[*:1] CC(=O)N1C[C@H](C)Oc2ccc(cc21)S(=O)(=O)N[C@H](C)[*:1]
CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc21 C[C@H](c1ccccc1)[*:1] CC(=O)N1C[C@H](C)Oc2ccc(cc21)S(=O)(=O)N[*:1]
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@@H](c1ccc(cc1)S(C)(=O)=O)N(C)C(=O)[*:1]
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cccc(Br)c1 CS(=O)(=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)c1cccc(Br)c1
COc1cccc(C[C@H]([NH2+][C@H]2CC=CCC2)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)C[C@H]([NH2+][C@H]1CC=CCC1)[*:1]
Cn1c(=O)c2[nH]c(N3CCCCC3)nc2n(C)c1=O C1CCN(CC1)[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)[*:1]
COc1ccc(Cc2nn3c(-c4ccccc4Br)nnc3s2)cc1 COc1ccc(cc1)[*:1] Brc1ccccc1-c1nnc2sc(C[*:1])nn12
COc1ccc(Cc2nn3c(-c4ccccc4Br)nnc3s2)cc1 Brc1ccccc1[*:1] COc1ccc(cc1)Cc1nn2c(nnc2s1)[*:1]
Cc1ccc(CCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(CC[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
Cc1ccc(CCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 Cc1ccc(cc1)C[*:1] O=C(C[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
Cc1ccc(CCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] Cc1ccc(cc1)CCC(=O)NC[C@@H]1CCCN(C1)[*:1]
CN(Cc1ccc(Br)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 Brc1ccc(cc1)C[*:1] CN(C(=O)c1ccc(NC2CC2)c(c1)[N+](=O)[O-])[*:1]
CN(Cc1ccc(Br)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 Brc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc(NC2CC2)c(c1)[N+](=O)[O-]
CN(Cc1ccc(Br)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1N[*:1] CN(Cc1ccc(Br)cc1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN(Cc1ccc(Br)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(Cc1ccc(Br)cc1)C(=O)c1ccc(NC2CC2)c(c1)[*:1]
CN(Cc1ccc(Br)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] CN(Cc1ccc(Br)cc1)C(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
Cc1ccc2nc(N(CC[NH+](C)C)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)sc2c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc2nc(sc2c1)N(CC[NH+](C)C)C(=O)C=C[*:1]
Cc1ccc2nc(N(CC[NH+](C)C)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)sc2c1 O=[N+]([O-])[*:1] Cc1ccc2nc(sc2c1)N(CC[NH+](C)C)C(=O)/C=C\c1ccc(cc1)[*:1]
COCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(C)cc2)sc2cc(C)c(C)cc21 COC[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)/N=c1\sc2cc(C)c(C)cc2n1C[*:1]
COCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(C)cc2)sc2cc(C)c(C)cc21 COCC[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)/N=c1\sc2cc(C)c(C)cc2n1[*:1]
COCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(C)cc2)sc2cc(C)c(C)cc21 Cc1ccc(cc1)[*:1] COCCn1/c(=N/C(=O)CS(=O)(=O)[*:1])sc2cc(C)c(C)cc21
Cc1cc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4ccc(F)cc4)CC3)C2=O)c(C)o1 Fc1ccc(cc1)[*:1] Cc1cc(c(C)o1)[C@]1(C)NC(=O)N(CC(=O)N2CCN(CC2)[*:1])C1=O
Cc1cc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4ccc(F)cc4)CC3)C2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCN(CC2)c2ccc(F)cc2)C1=O)[*:1]
CC(=O)N[C@@H](C)c1nc2ccccc2n1CCOc1ccccc1Cl Clc1ccccc1[*:1] CC(=O)N[C@@H](C)c1nc2ccccc2n1CCO[*:1]
CC(=O)N[C@@H](C)c1nc2ccccc2n1CCOc1ccccc1Cl CC(=O)N[*:1] C[C@@H](c1nc2ccccc2n1CCOc1ccccc1Cl)[*:1]
CC(=O)N[C@@H](C)c1nc2ccccc2n1CCOc1ccccc1Cl Clc1ccccc1O[*:1] CC(=O)N[C@@H](C)c1nc2ccccc2n1CC[*:1]
Cc1nc([C@@H](C)NC(=O)c2ccc3ncsc3c2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@@H](NC(=O)c1ccc2ncsc2c1)[*:1]
COc1cc(/C(C#N)=C/c2cccc3c2OCCCO3)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])/C(C#N)=C/c1cccc2OCCCOc12
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@@H]1c1ccsc1 c1cc(cs1)[*:1] COC(=O)C1=C(C)N(C(=S)N[C@H]1[*:1])c1ccc(F)cc1
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@@H]1c1ccsc1 Fc1ccc(cc1)[*:1] COC(=O)C1=C(C)N(C(=S)N[C@@H]1c1ccsc1)[*:1]
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@@H]1c1ccsc1 COC(=O)[*:1] CC1=C([C@H](NC(=S)N1c1ccc(F)cc1)c1ccsc1)[*:1]
O=C([O-])c1ccc(C[C@H]2CCCN(C(=O)C3CCS(=O)(=O)CC3)C2)cc1 O=S1(=O)CCC(CC1)[*:1] O=C([O-])c1ccc(cc1)C[C@H]1CCCN(C1)C(=O)[*:1]
O=C([O-])c1ccc(C[C@H]2CCCN(C(=O)C3CCS(=O)(=O)CC3)C2)cc1 O=C([O-])[*:1] O=C(C1CCS(=O)(=O)CC1)N1CCC[C@H](Cc2ccc(cc2)[*:1])C1
Cc1ncsc1C(=O)N[C@@H]1CCCOc2c1ccc1ccccc21 Cc1ncsc1[*:1] O=C(N[C@@H]1CCCOc2c1ccc1ccccc21)[*:1]
CC(C)Cc1nc(CNC(=O)Cc2ccccc2)no1 CC(C)C[*:1] O=C(Cc1ccccc1)NCc1noc(n1)[*:1]
CC(C)Cc1nc(CNC(=O)Cc2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)Cc1nc(CNC(=O)C[*:1])no1
CC(C)Cc1nc(CNC(=O)Cc2ccccc2)no1 CC(C)[*:1] O=C(Cc1ccccc1)NCc1noc(C[*:1])n1
COc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3Cl)c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c2cnn(-c3ccccc3Cl)c2nc(-c2ccco2)n1[*:1]
COc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3Cl)c2=O)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-n1c(nc2c(cnn2[*:1])c1=O)-c1ccco1
COc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3Cl)c2=O)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-n1c(nc2c(cnn2-c2ccccc2Cl)c1=O)[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)/C=C/c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)C=C[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)/C=C/c1cccc(F)c1 c1ncn(n1)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)/C=C/c1cccc(F)c1
CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 Cc1nc2cc(ccc2[nH]1)[*:1] CCOC(=O)[C@@]1(CCCN(C1)C(=O)[*:1])Cc1cccc(c1)OC
CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 CCOC(=O)[*:1] COc1cccc(c1)C[C@@]1(CCCN(C1)C(=O)c1ccc2[nH]c(C)nc2c1)[*:1]
CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 COc1cccc(c1)[*:1] CCOC(=O)[C@@]1(CCCN(C1)C(=O)c1ccc2[nH]c(C)nc2c1)C[*:1]
CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 COc1cccc(c1)C[*:1] CCOC(=O)[C@@]1(CCCN(C1)C(=O)c1ccc2[nH]c(C)nc2c1)[*:1]
COc1ccccc1CNC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 COc1ccccc1[*:1] O=C(NC[*:1])Nc1cccc(c1)C(=O)N1CCc2ccccc21
COc1ccccc1CNC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 COc1ccccc1C[*:1] O=C(Nc1cccc(c1)C(=O)N1CCc2ccccc21)N[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccccc1C(F)(F)F FC(F)(F)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccccc1[*:1]
Cc1cc(NC(=O)COc2ccc3ccccc3c2C=O)n(C(C)(C)C)n1 CC(C)(C)[*:1] Cc1cc(NC(=O)COc2ccc3ccccc3c2C=O)n(n1)[*:1]
C/C(=C/C(=O)N[C@@H](CO)c1ccccc1F)c1ccc(F)cc1F Fc1ccccc1[*:1] C/C(=C/C(=O)N[C@@H](CO)[*:1])c1ccc(F)cc1F
C/C(=C/C(=O)N[C@@H](CO)c1ccccc1F)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(=CC(=O)N[C@@H](CO)c1ccccc1F)[*:1]
COC(=O)C1(N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCCC1 O=[N+]([O-])[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)c1cc(ccc1Cl)[*:1]
COC(=O)C1(N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCCC1 COC(=O)[*:1] CN(C(=O)c1cc(ccc1Cl)[N+](=O)[O-])C1(CCCCC1)[*:1]
COCC/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S1 COCC[*:1] O=C(C[C@@H]1SC(=N[*:1])NC1=O)Nc1cccc(Cl)c1
COCC/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S1 Clc1cccc(c1)[*:1] COCC/N=C1/NC(=O)[C@H](CC(=O)N[*:1])S1
COCC/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S1 COC[*:1] O=C(C[C@@H]1S/C(=N\C[*:1])NC1=O)Nc1cccc(Cl)c1
CC(=O)c1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccccc3)no2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(no1)-c1ccccc1
CC(=O)c1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccccc3)no2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(no1)[*:1]
CC(=O)c1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccccc3)no2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(no1)-c1ccccc1
C=CCn1ncc(CN2CC[C@H]3[NH2+]CCC[C@]3(C(=O)OCC)C2)c1C CCOC(=O)[*:1] C=CCn1ncc(CN2CC[C@H]3[NH2+]CCC[C@@]3(C2)[*:1])c1C
C=CCn1ncc(CN2CC[C@H]3[NH2+]CCC[C@]3(C(=O)OCC)C2)c1C C=CC[*:1] CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(Cc1cnn(c1C)[*:1])C2
C[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)c1cccs1 c1csc(c1)[*:1] C[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)CNC(=O)c2ccc(C)c(C)c2)C1 CC(=O)N[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N1CCC[C@@H](C1)C[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)CNC(=O)c2ccc(C)c(C)c2)C1 CC(=O)NC[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)CNC(=O)c2ccc(C)c(C)c2)C1 Cc1ccc(cc1C)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)CNC(=O)[*:1]
CCn1c(=O)[nH]c2cc(-c3noc(COc4ccc(OC)cc4)n3)ccc21 COc1ccc(cc1)O[*:1] CCn1c(=O)[nH]c2cc(ccc21)-c1noc(C[*:1])n1
CCn1c(=O)[nH]c2cc(-c3noc(COc4ccc(OC)cc4)n3)ccc21 COc1ccc(cc1)[*:1] CCn1c(=O)[nH]c2cc(ccc21)-c1noc(CO[*:1])n1
O=C(NCc1cccs1)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 c1csc(c1)[*:1] O=C(NC[*:1])c1cc2nc(cc(n2n1)C(F)(F)Cl)-c1cccs1
O=C(NCc1cccs1)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 c1csc(c1)C[*:1] O=C(N[*:1])c1cc2nc(cc(n2n1)C(F)(F)Cl)-c1cccs1
O=C(NCc1cccs1)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 FC(F)(Cl)[*:1] O=C(NCc1cccs1)c1cc2nc(cc(n2n1)[*:1])-c1cccs1
O=C(NCc1cccs1)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 c1csc(c1)[*:1] O=C(NCc1cccs1)c1cc2nc(cc(n2n1)C(F)(F)Cl)[*:1]
O=C(NCc1cccs1)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 O=C(NCc1cccs1)[*:1] FC(F)(Cl)c1cc(nc2cc(nn12)[*:1])-c1cccs1
COc1cccc([C@H](C)CC(=O)N2CCN(C(=O)c3ccoc3)CC2)c1 c1cc(co1)[*:1] COc1cccc(c1)[C@H](C)CC(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc([C@H](C)CC(=O)N2CCN(C(=O)c3ccoc3)CC2)c1 COc1cccc(c1)[*:1] C[C@H](CC(=O)N1CCN(CC1)C(=O)c1ccoc1)[*:1]
C[NH+]1CCN(c2ccc(F)cc2C[NH2+]C2CC2)CC1 C1CC1[*:1] C[NH+]1CCN(CC1)c1ccc(F)cc1C[NH2+][*:1]
C[NH+]1CCN(c2ccc(F)cc2C[NH2+]C2CC2)CC1 C1CC1[NH2+]C[*:1] C[NH+]1CCN(CC1)c1ccc(F)cc1[*:1]
CC[C@H](c1ccccc1)c1nnc(NC(=O)C(C)(C)C)s1 CC(C)(C)[*:1] CC[C@H](c1ccccc1)c1nnc(NC(=O)[*:1])s1
CC[C@H](c1ccccc1)c1nnc(NC(=O)C(C)(C)C)s1 c1ccc(cc1)[*:1] CC[C@H](c1nnc(NC(=O)C(C)(C)C)s1)[*:1]
CC[C@H](c1ccccc1)c1nnc(NC(=O)C(C)(C)C)s1 CC(C)(C)C(=O)N[*:1] CC[C@H](c1ccccc1)c1nnc(s1)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1nnc2n1CCC2)C(C)C C1Cc2nnc(n2C1)[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C(C)C)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1nnc2n1CCC2)C(C)C CCS[*:1] CC(C)[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[*:1])c1nnc2CCCn21
CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1nnc2n1CCC2)C(C)C CC(C)[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1nnc2CCCn21)[*:1]
Cc1nc(CCC[NH2+]C2(c3ccc(F)cc3)CCOCC2)cs1 Cc1nc(cs1)[*:1] Fc1ccc(cc1)C1(CCOCC1)[NH2+]CCC[*:1]
Cc1nc(CCC[NH2+]C2(c3ccc(F)cc3)CCOCC2)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)CCC[NH2+]C1(CCOCC1)[*:1]
Cc1nc(CCC[NH2+]C2(c3ccc(F)cc3)CCOCC2)cs1 Cc1nc(cs1)C[*:1] Fc1ccc(cc1)C1(CCOCC1)[NH2+]CC[*:1]
CC(C)c1nnc2n1CCN(C(=O)c1ccc([C@@H]3CCCO3)s1)CC2 CC(C)[*:1] O=C(c1ccc(s1)[C@@H]1CCCO1)N1CCc2nnc(n2CC1)[*:1]
C=C[C@@H](C)OC(=O)n1ccnc1 C=C[C@@H](C)[*:1] O=C(O[*:1])n1ccnc1
C[C@@H](C=O)Cc1ccc(Cl)cc1F C[C@@H](C=O)[*:1] Fc1cc(Cl)ccc1C[*:1]
CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](C)n3cncn3)cc2)CC1 c1ncn(n1)[*:1] CC[NH+]1CCN(CC1)Cc1ccc(cc1)CNC(=O)[C@@H](C)[*:1]
CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](C)n3cncn3)cc2)CC1 C[C@@H](n1cncn1)[*:1] CC[NH+]1CCN(CC1)Cc1ccc(cc1)CNC(=O)[*:1]
C[C@H](NC(=O)Nc1cccnc1-n1cccn1)c1nc[nH]n1 c1cnn(c1)[*:1] C[C@H](NC(=O)Nc1cccnc1[*:1])c1nc[nH]n1
CC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)c1ccc2CCCCc2c1)[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 CN(C)S(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(o1)-c1ccccc1F
CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 Fc1ccccc1[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(o1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)Nc1nnc(C(C)(C)C)s1 c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)Nc1nnc(s1)C(C)(C)C
C[C@@H](Cc1cccs1)NC(=O)Nc1nnc(C(C)(C)C)s1 c1csc(c1)C[*:1] C[C@@H](NC(=O)Nc1nnc(s1)C(C)(C)C)[*:1]
C[C@@H](Cc1cccs1)NC(=O)Nc1nnc(C(C)(C)C)s1 CC(C)(C)[*:1] C[C@@H](Cc1cccs1)NC(=O)Nc1nnc(s1)[*:1]
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1ccc(C#N)cc1)C2=O N#Cc1ccc(cc1)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(C[*:1])C2=O
C=C1C[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] C=C1C[C@H](C(=O)[O-])[C@@H](C1)[*:1]
CCC[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C1CCCCC1 C1CCC(CC1)[*:1] CCC[C@H]([NH2+]C1CCN(CC1)S(=O)(=O)c1cnn(C)c1)[*:1]
CCC[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C1CCCCC1 Cn1cc(cn1)[*:1] CCC[C@H]([NH2+]C1CCN(CC1)S(=O)(=O)[*:1])C1CCCCC1
CCC[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C1CCCCC1 CCC[*:1] Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)[NH2+][C@H](C1CCCCC1)[*:1]
O=C(COc1c(Cl)cc(Cl)cc1Br)Nc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] O=C(COc1c(Cl)cc(Cl)cc1Br)Nc1ccc(cc1)[*:1]
O=C(COc1c(Cl)cc(Cl)cc1Br)Nc1ccc(C(=O)N2CCCC2)cc1 Clc1cc(Cl)c(c(Br)c1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)C(=O)N1CCCC1
COc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2Cc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)c1cc2c(=O)n3ccccc3nc2n1C[*:1]
COc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2Cc2ccccc2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)NC(=O)c1cc2c(=O)n3ccccc3nc2n1[*:1]
COc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2Cc2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N[*:1])c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1
CCOC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 O=[N+]([O-])[*:1] CCOC[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(cc1Cl)[*:1]
CCOC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 CCO[*:1] O=C(Nc1ccc(cc1Cl)[N+](=O)[O-])C(=O)N1CCC[C@H](C1)C[*:1]
CCOC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 CCOC[*:1] O=C(Nc1ccc(cc1Cl)[N+](=O)[O-])C(=O)N1CCC[C@H](C1)[*:1]
C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1Br Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1ccccc1Br
C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1Br C[C@@H](c1ccccc1Br)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1Br Brc1ccccc1[*:1] C[C@@H](NC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1)[*:1]
CCOCc1ccccc1NC(=O)C1=Cc2cc(F)ccc2OC1 CCO[*:1] O=C(Nc1ccccc1C[*:1])C1=Cc2cc(F)ccc2OC1
CCOCc1ccccc1NC(=O)C1=Cc2cc(F)ccc2OC1 CCOC[*:1] O=C(Nc1ccccc1[*:1])C1=Cc2cc(F)ccc2OC1
CCc1ccc(C(=O)N(c2ccc(C[NH3+])cc2)C2CC2)o1 C1CC1[*:1] CCc1ccc(o1)C(=O)N(c1ccc(cc1)C[NH3+])[*:1]
CCc1ccc(C(=O)N(c2ccc(C[NH3+])cc2)C2CC2)o1 CCc1ccc(o1)[*:1] [NH3+]Cc1ccc(cc1)N(C(=O)[*:1])C1CC1
CCOC(=O)c1c(NC(=O)c2cc(CC)on2)sc(C(C)=O)c1C CC(=O)[*:1] CCOC(=O)c1c(NC(=O)c2cc(CC)on2)sc(c1C)[*:1]
CCOC(=O)c1c(NC(=O)c2cc(CC)on2)sc(C(C)=O)c1C CCc1cc(no1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc(C(C)=O)c1C
CCOC(=O)c1c(NC(=O)c2cc(CC)on2)sc(C(C)=O)c1C CCOC(=O)[*:1] CCc1cc(no1)C(=O)Nc1sc(C(C)=O)c(C)c1[*:1]
CC(C)[C@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)n1cncn1 Fc1ccc(cc1)[*:1] CC(C)[C@H](C(=O)N1CCO[C@@H](C1)[*:1])n1cncn1
CC(C)[C@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)n1cncn1 c1ncn(n1)[*:1] CC(C)[C@H](C(=O)N1CCO[C@H](C1)c1ccc(F)cc1)[*:1]
CC(C)[C@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)n1cncn1 CC(C)[*:1] O=C([C@H](n1cncn1)[*:1])N1CCO[C@H](C1)c1ccc(F)cc1
CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3cccc(Cl)c3)c(=O)c3ccccc32)cc1 CCOc1ccc(cc1)[*:1] O=C(Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21)N[*:1]
CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3cccc(Cl)c3)c(=O)c3ccccc32)cc1 Clc1cccc(c1)C[*:1] CCOc1ccc(cc1)NC(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3cccc(Cl)c3)c(=O)c3ccccc32)cc1 Clc1cccc(c1)[*:1] CCOc1ccc(cc1)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2ccccc21
CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3cccc(Cl)c3)c(=O)c3ccccc32)cc1 CCO[*:1] O=C(Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21)Nc1ccc(cc1)[*:1]
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccccc1Cl Clc1ccccc1C[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C[*:1]
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccccc1Cl CC(C)[*:1] O=C(CCc1ccccc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)[*:1]
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccccc1Cl Clc1ccccc1[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CC[*:1]
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccccc1Cl Clc1ccccc1CC[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[*:1]
Cc1cccc(OC[C@@H](C)[NH2+][C@H](C)c2cccnc2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)OC[C@@H](C)[NH2+][C@H](C)[*:1]
C=CCS(=O)(=O)/N=C([O-])/C(C)=C\c1ccc(F)cc1 C=CC[*:1] CC(=C/c1ccc(F)cc1)/C([O-])=N/S(=O)(=O)[*:1]
COC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O COC(=O)C[*:1] Cc1cccc(C)c1N(S(C)(=O)=O)[*:1]
COC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O COC(=O)[*:1] Cc1cccc(C)c1N(C[*:1])S(C)(=O)=O
CCC(C)(C)[NH+](C)CCC(C)(C)O CC(C)(O)[*:1] CCC(C)(C)[NH+](C)CC[*:1]
CCNC(=O)NC1CCC(OC(=O)c2ccc3c(c2)[nH]c(=O)n3C)CC1 CCNC(=O)N[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)OC1CCC(CC1)[*:1]
O=C(Nc1ccccc1F)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1F)N1CCN(CCO[*:1])CC1
O=C(Nc1ccccc1F)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(Nc1ccccc1F)N1CCN(CC1)CC[*:1]
O=C(Nc1ccccc1F)N1CCN(CCOc2ccccc2)CC1 Fc1ccccc1[*:1] O=C(N[*:1])N1CCN(CCOc2ccccc2)CC1
O=C(Nc1ccccc1F)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=C(Nc1ccccc1F)N1CCN(CC1)C[*:1]
Cc1cccc(O[C@H](C)C(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N(C)c1ccccc1C(=O)NC[*:1]
Cc1cccc(O[C@H](C)C(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)N(C)c1ccccc1C(=O)NCc1ccccc1)[*:1]
Cc1cccc(O[C@H](C)C(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N(C)c1ccccc1C(=O)N[*:1]
Cc1cccc(O[C@H](C)C(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N(C)c1ccccc1C(=O)NCc1ccccc1
Cc1cccc(O[C@H](C)C(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)c1 O=C(NCc1ccccc1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N(C)c1ccccc1[*:1]
CCOCc1nc(CCn2cnc3ccccc3c2=O)n(-c2ccccn2)n1 CCOC[*:1] O=c1c2ccccc2ncn1CCc1nc(nn1-c1ccccn1)[*:1]
CCOCc1nc(CCn2cnc3ccccc3c2=O)n(-c2ccccn2)n1 c1ccc(nc1)[*:1] CCOCc1nc(CCn2cnc3ccccc3c2=O)n(n1)[*:1]
CCOCc1nc(CCn2cnc3ccccc3c2=O)n(-c2ccccn2)n1 CCO[*:1] O=c1c2ccccc2ncn1CCc1nc(C[*:1])nn1-c1ccccn1
C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)cc1)Oc1ccccc1 C[C@H](Oc1ccccc1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)-n1cncn1
C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)cc1)Oc1ccccc1 c1ncn(n1)[*:1] C[C@H](CNC(=O)C(=O)Nc1ccc(cc1)[*:1])Oc1ccccc1
C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)cc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)C(=O)Nc1ccc(cc1)-n1cncn1)O[*:1]
C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)cc1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNC(=O)C(=O)Nc1ccc(cc1)-n1cncn1)[*:1]
COCCN(Cc1ccccn1)C(=O)NC1CCCCCCC1 COCC[*:1] O=C(NC1CCCCCCC1)N(Cc1ccccn1)[*:1]
COCCN(Cc1ccccn1)C(=O)NC1CCCCCCC1 c1ccc(C[*:1])nc1 COCCN(C(=O)NC1CCCCCCC1)[*:1]
COCCN(Cc1ccccn1)C(=O)NC1CCCCCCC1 c1ccc(nc1)[*:1] COCCN(C[*:1])C(=O)NC1CCCCCCC1
COCCN(Cc1ccccn1)C(=O)NC1CCCCCCC1 COC[*:1] O=C(NC1CCCCCCC1)N(Cc1ccccn1)C[*:1]
Cc1nnc(-c2ccc(C(=O)NCCc3ncc(C)s3)cc2)o1 Cc1cnc(s1)[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)NCC[*:1]
Cc1nnc(-c2ccc(C(=O)NCCc3ncc(C)s3)cc2)o1 Cc1cnc(C[*:1])s1 Cc1nnc(o1)-c1ccc(cc1)C(=O)NC[*:1]
Cc1nnc(-c2ccc(C(=O)NCCc3ncc(C)s3)cc2)o1 Cc1nnc(o1)[*:1] Cc1cnc(CCNC(=O)c2ccc(cc2)[*:1])s1
Cn1cc(NC(=O)c2cccc(CN3CCN(c4cnccn4)CC3)c2)cn1 Cn1cc(cn1)NC(=O)[*:1] c1cc(cc(c1)[*:1])CN1CCN(CC1)c1cnccn1
Cn1cc(NC(=O)c2cccc(CN3CCN(c4cnccn4)CC3)c2)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])c1cccc(c1)CN1CCN(CC1)c1cnccn1
Cn1cc(NC(=O)c2cccc(CN3CCN(c4cnccn4)CC3)c2)cn1 c1cnc(cn1)[*:1] Cn1cc(cn1)NC(=O)c1cccc(c1)CN1CCN(CC1)[*:1]
CCC[C@H]1C[C@]1(O)C1(CC(C)C)CCCC1 CCC[*:1] CC(C)CC1(CCCC1)[C@@]1(O)C[C@@H]1[*:1]
CCC[C@H]1C[C@]1(O)C1(CC(C)C)CCCC1 CC(C)C[*:1] CCC[C@H]1C[C@]1(O)C1(CCCC1)[*:1]
CCC[C@H]1C[C@]1(O)C1(CC(C)C)CCCC1 CC(C)[*:1] CCC[C@H]1C[C@]1(O)C1(CCCC1)C[*:1]
O=S(=O)(c1ccc(-c2ccno2)s1)N1C[C@H]2CC=CC[C@H]2C1 c1cc(on1)[*:1] O=S(=O)(c1ccc(s1)[*:1])N1C[C@H]2CC=CC[C@H]2C1
COCCOC1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)CC1 COCCO[*:1] CC(C)(C(=O)N1CCC(CC1)[*:1])c1cccc(Cl)c1
COCCOC1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)CC1 COC[*:1] CC(C)(C(=O)N1CCC(CC1)OC[*:1])c1cccc(Cl)c1
COCCOC1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)CC1 COCC[*:1] CC(C)(C(=O)N1CCC(CC1)O[*:1])c1cccc(Cl)c1
COCCOC1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COCCOC1CCN(CC1)C(=O)C(C)(C)[*:1]
CCNC(=O)CSc1nnc(N2CCOCC2)n1-c1ccc(C)cc1 CCNC(=O)C[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCOCC1)S[*:1]
CCNC(=O)CSc1nnc(N2CCOCC2)n1-c1ccc(C)cc1 CCNC(=O)CS[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])N1CCOCC1
CCNC(=O)CSc1nnc(N2CCOCC2)n1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCNC(=O)CSc1nnc(N2CCOCC2)n1[*:1]
CCNC(=O)CSc1nnc(N2CCOCC2)n1-c1ccc(C)cc1 C1CN(CCO1)[*:1] CCNC(=O)CSc1nnc(n1-c1ccc(C)cc1)[*:1]
CCNC(=O)CSc1nnc(N2CCOCC2)n1-c1ccc(C)cc1 CCNC(=O)[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCOCC1)SC[*:1]
Cc1cc(C[NH+](C)Cc2nc(-c3cccnc3)no2)ccc1-n1cncn1 c1cncc(c1)[*:1] Cc1cc(ccc1-n1cncn1)C[NH+](C)Cc1nc(no1)[*:1]
Cc1cc(C[NH+](C)Cc2nc(-c3cccnc3)no2)ccc1-n1cncn1 c1ncn(n1)[*:1] Cc1cc(ccc1[*:1])C[NH+](C)Cc1nc(no1)-c1cccnc1
CC[NH2+][C@@H](C)c1ccc(-c2ccc(Br)c([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] CC[NH2+][C@@H](C)c1ccc(o1)-c1ccc(Br)c(c1)[*:1]
CC1=C2C(=O)N(C[C@H]3CCCO3)C(=O)N=C2S[C@@H]1C(=O)[O-] C1CO[C@H](C1)C[*:1] CC1=C2C(=O)N(C(=O)N=C2S[C@@H]1C(=O)[O-])[*:1]
CC1=C2C(=O)N(C[C@H]3CCCO3)C(=O)N=C2S[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC1=C2C(=O)N(C[C@H]3CCCO3)C(=O)N=C2S[C@H]1[*:1]
CC1=C2C(=O)N(C[C@H]3CCCO3)C(=O)N=C2S[C@@H]1C(=O)[O-] C1CO[C@H](C1)[*:1] CC1=C2C(=O)N(C[*:1])C(=O)N=C2S[C@@H]1C(=O)[O-]
CCCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CCC[*:1] Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)N(C[*:1])c1c(N)n(CC(C)C)c(=O)[nH]c1=O
CCCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)[*:1] CCCCN(C(=O)c1sc2nc3CCCn3c(=O)c2c1C)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CCCC[*:1] Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)N(c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[*:1]
CCCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)C[*:1] CCCCN(C(=O)c1sc2nc3CCCn3c(=O)c2c1C)c1c(N)n(c(=O)[nH]c1=O)[*:1]
O=C(CN1CC[NH+](CCCO)CC1)N1CCN(Cc2ccsc2)CC1 OCC[*:1] O=C(CN1CC[NH+](CC1)C[*:1])N1CCN(CC1)Cc1ccsc1
O=C(CN1CC[NH+](CCCO)CC1)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)[*:1] O=C(CN1CC[NH+](CCCO)CC1)N1CCN(CC1)C[*:1]
O=C(CN1CC[NH+](CCCO)CC1)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)C[*:1] O=C(CN1CC[NH+](CCCO)CC1)N1CCN(CC1)[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])C(=O)NC(=S)Nc1ccc(C)c(C)c1
CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] Cc1ccc(cc1C)[*:1] CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)N[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] CCO[*:1] Cc1ccc(cc1C)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN(CC1CC1)C(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O C1CC1[*:1] CN(C[*:1])C(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O
CN(CC1CC1)C(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O C1CC1C[*:1] CN1C(=O)NC2(CC[NH+](CC2)CC(=O)N(C)[*:1])C1=O
Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CCC(=O)N[*:1])NNC(=O)c1ccc(Cl)cc1
Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CCC(=O)NNC(=O)[*:1]
CCc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] CCc1ccc(cc1)CN1CCN(CC1)S(=O)(=O)[*:1]
CCc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 CCc1ccc(cc1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
O=C([C@H]1COc2ccccc2O1)N1CC(c2nc(-c3cnccn3)no2)C1 c1cnc(cn1)[*:1] O=C([C@H]1COc2ccccc2O1)N1CC(C1)c1nc(no1)[*:1]
CCOC(=O)C[C@H](C)CNC(=O)c1cccc2cn[nH]c12 CCOC(=O)C[*:1] C[C@H](CNC(=O)c1cccc2cn[nH]c12)[*:1]
CCOC(=O)C[C@H](C)CNC(=O)c1cccc2cn[nH]c12 CCOC(=O)[*:1] C[C@H](CNC(=O)c1cccc2cn[nH]c12)C[*:1]
C[NH2+][C@H](Cc1ccsc1)[C@H]1CSCCO1 c1cc(cs1)[*:1] C[NH2+][C@H](C[*:1])[C@H]1CSCCO1
COC(=O)C[C@@H](NC(=O)c1cc2ccccc2o1)C1CC1 COC(=O)[*:1] O=C(N[C@H](C[*:1])C1CC1)c1cc2ccccc2o1
COC(=O)C[C@@H](NC(=O)c1cc2ccccc2o1)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)c1cc2ccccc2o1)[*:1]
COC(=O)C[C@@H](NC(=O)c1cc2ccccc2o1)C1CC1 COC(=O)C[*:1] O=C(N[C@@H](C1CC1)[*:1])c1cc2ccccc2o1
CCCOc1cccc([C@H]([NH3+])Cc2cccc(F)c2F)c1 CCCO[*:1] [NH3+][C@H](Cc1cccc(F)c1F)c1cccc(c1)[*:1]
CCCOc1cccc([C@H]([NH3+])Cc2cccc(F)c2F)c1 CCC[*:1] [NH3+][C@H](Cc1cccc(F)c1F)c1cccc(c1)O[*:1]
C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(F)cc1)C3=O c1ccc(cc1)[*:1] C[C@@H](N1COc2ccc3C(=O)/C(=C/c4ccc(F)cc4)Oc3c2C1)[*:1]
C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(F)cc1)C3=O C[C@@H](c1ccccc1)[*:1] O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1OCN(Cc12)[*:1]
C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(F)cc1)C3=O Fc1ccc(cc1)[*:1] C[C@@H](c1ccccc1)N1COc2ccc3C(=O)C(=C[*:1])Oc3c2C1
COc1ccccc1N1CC[C@@H](CNC(=O)c2cccc3cc[nH]c23)C1 COc1ccccc1[*:1] O=C(NC[C@@H]1CCN(C1)[*:1])c1cccc2cc[nH]c12
CC(=O)Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@H]2C(N)=O)cc1 NC(=O)[*:1] CC(=O)Nc1ccc(cc1)CCNC(=O)N[C@@H]1CCC[C@@H]1[*:1]
CC(=O)Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@H]2C(N)=O)cc1 CC(=O)N[*:1] NC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCc1ccc(cc1)[*:1]
Cc1csc([C@H](C)N(C)Cc2nc(NC3CCCCC3)c3ccccc3n2)n1 C1CCC(CC1)N[*:1] Cc1csc(n1)[C@H](C)N(C)Cc1nc(c2ccccc2n1)[*:1]
Cc1csc([C@H](C)N(C)Cc2nc(NC3CCCCC3)c3ccccc3n2)n1 Cc1csc(n1)[*:1] C[C@H](N(C)Cc1nc(NC2CCCCC2)c2ccccc2n1)[*:1]
Cc1csc([C@H](C)N(C)Cc2nc(NC3CCCCC3)c3ccccc3n2)n1 C1CCC(CC1)[*:1] Cc1csc(n1)[C@H](C)N(C)Cc1nc(N[*:1])c2ccccc2n1
CC(C)(C)c1n[nH]cc1CN1CCOC[C@@H]1C#N CC(C)(C)[*:1] N#C[C@H]1COCCN1Cc1c[nH]nc1[*:1]
C[NH+](C)Cc1cc(-c2cccnc2)ccc1OCC(=O)N[C@H]1CCOC(C)(C)C1 c1cncc(c1)[*:1] C[NH+](C)Cc1cc(ccc1OCC(=O)N[C@H]1CCOC(C)(C)C1)[*:1]
Cc1nc(CSc2ccccc2C(=O)NC2CCCCC2)no1 Cc1nc(no1)[*:1] O=C(NC1CCCCC1)c1ccccc1SC[*:1]
Cc1nc(CSc2ccccc2C(=O)NC2CCCCC2)no1 C1CCC(CC1)[*:1] Cc1nc(CSc2ccccc2C(=O)N[*:1])no1
Cc1nc(CSc2ccccc2C(=O)NC2CCCCC2)no1 Cc1nc(C[*:1])no1 O=C(NC1CCCCC1)c1ccccc1S[*:1]
CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1 CC(C)[*:1] CCCNC(=O)Nc1ccc(cc1)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1 CCC[*:1] CC(C)NC(=O)[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1)NC(=O)N[*:1]
CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1 CC(C)NC(=O)[*:1] CCCNC(=O)Nc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)[*:1]
CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1 CCCNC(=O)N[*:1] CC(C)NC(=O)[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(C(=O)n2cccc/c2=N\C2CCCCC2)nn1-c1ccc(F)cc1 C1CCC(CC1)[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)n1ccccc1=N[*:1]
Cc1nc(C(=O)n2cccc/c2=N\C2CCCCC2)nn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(nn1[*:1])C(=O)n1cccc/c1=N\C1CCCCC1
Cn1cc(C#N)cc1C(=O)OCc1cccnc1-n1cccn1 c1cnn(c1)[*:1] Cn1cc(C#N)cc1C(=O)OCc1cccnc1[*:1]
CC[C@@H](C)n1ncc(C(=O)NCc2ccccn2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NCc2ccccn2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)NCc2ccccn2)c1C1CC1 c1ccc(C[*:1])nc1 CC[C@@H](C)n1ncc(C(=O)N[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NCc2ccccn2)c1C1CC1 c1ccc(nc1)[*:1] CC[C@@H](C)n1ncc(C(=O)NC[*:1])c1C1CC1
CC(=O)NCC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] CC(=O)N[*:1] O=C(C[*:1])N[C@H]1CCCCC[C@@H]1C(=O)[O-]
CC(=O)NCC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] CC(=O)NC[*:1] O=C([O-])[C@H]1CCCCC[C@@H]1NC(=O)[*:1]
CC(=O)NCC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(=O)NCC(=O)N[C@H]1CCCCC[C@H]1[*:1]
C[C@H](C/C(N)=N/O)N(C)C(=O)C1C(C)(C)C1(C)C N/C(C[*:1])=N\O C[C@H](N(C)C(=O)C1C(C)(C)C1(C)C)[*:1]
C[C@H](C/C(N)=N/O)N(C)C(=O)C1C(C)(C)C1(C)C N/C(=N\O)[*:1] C[C@H](C[*:1])N(C)C(=O)C1C(C)(C)C1(C)C
CCC[C@H](C)CC(=O)N[C@@H](C)c1cccc(C#N)c1 CCC[*:1] C[C@H](NC(=O)C[C@@H](C)[*:1])c1cccc(C#N)c1
CCC[C@H](C)CC(=O)N[C@@H](C)c1cccc(C#N)c1 CCC[C@H](C)C[*:1] C[C@H](NC(=O)[*:1])c1cccc(C#N)c1
CCC[C@H](C)CC(=O)N[C@@H](C)c1cccc(C#N)c1 CCC[C@H](C)[*:1] C[C@H](NC(=O)C[*:1])c1cccc(C#N)c1
CN(C[C@@H](O)C1CC1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)[C@@H](Sc1ccccc1)c1ccccc1
CN(C[C@@H](O)C1CC1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C[C@@H](O)C1CC1)C(=O)[C@@H](Sc1ccccc1)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C[C@@H](O)C1CC1)C(=O)[C@@H](S[*:1])c1ccccc1
CN(C[C@@H](O)C1CC1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)S[*:1] CN(C[C@@H](O)C1CC1)C(=O)[C@@H](c1ccccc1)[*:1]
O=C(c1cccnc1Cl)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(c1cccnc1Cl)N1CCC(CC1)C[*:1]
O=C(c1cccnc1Cl)N1CCC(CN2CCOCC2)CC1 Clc1ncccc1[*:1] O=C(N1CCC(CC1)CN1CCOCC1)[*:1]
O=C(c1cccnc1Cl)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] O=C(c1cccnc1Cl)N1CCC(CC1)[*:1]
CN1C[C@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1=O FC(F)(F)C[*:1] CN1C[C@@H](CC1=O)C(=O)Nc1ccc(O[*:1])c(C#N)c1
CN1C[C@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1=O CN1C[C@H](CC1=O)[*:1] N#Cc1cc(ccc1OCC(F)(F)F)NC(=O)[*:1]
CN1C[C@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1=O FC(F)(F)[*:1] CN1C[C@@H](CC1=O)C(=O)Nc1ccc(OC[*:1])c(C#N)c1
CN1C[C@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1=O FC(F)(F)CO[*:1] CN1C[C@@H](CC1=O)C(=O)Nc1ccc(c(C#N)c1)[*:1]
CSc1ccc2nc(NC(=O)CSc3ccc(Cl)cc3)sc2c1 Clc1ccc(cc1)[*:1] CSc1ccc2nc(NC(=O)CS[*:1])sc2c1
CC(C)CC[C@H](C)NC(=O)c1ccncc1C#CC[NH3+] CC(C)[*:1] C[C@@H](CC[*:1])NC(=O)c1ccncc1C#CC[NH3+]
CC(C)CC[C@H](C)NC(=O)c1ccncc1C#CC[NH3+] CC(C)CC[*:1] C[C@H](NC(=O)c1ccncc1C#CC[NH3+])[*:1]
CC(C)CC[C@H](C)NC(=O)c1ccncc1C#CC[NH3+] CC(C)C[*:1] C[C@@H](C[*:1])NC(=O)c1ccncc1C#CC[NH3+]
COCCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 COCCC[*:1] O=C(N[*:1])[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12
COCCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 COCC[*:1] O=C(NC[*:1])[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12
COCCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 COC[*:1] O=C(NCC[*:1])[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12
COCCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 COCCCNC(=O)[*:1] O=C1c2ccccc2[C@@H]([C@@H]2c3ccccc3CCN12)[*:1]
C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)Nc3cccnc3)ccc2N1C(=O)C1CC1 C1CC1[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)[*:1])S(=O)(=O)NCCC(=O)Nc1cccnc1
C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)Nc3cccnc3)ccc2N1C(=O)C1CC1 O=C(Nc1cccnc1)[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)NCC[*:1]
C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)Nc3cccnc3)ccc2N1C(=O)C1CC1 c1cncc(c1)[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)NCCC(=O)N[*:1]
C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)Nc3cccnc3)ccc2N1C(=O)C1CC1 O=C(C[*:1])Nc1cccnc1 C[C@@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)NC[*:1]
CCCCCNC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] CCCC[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)NC[*:1]
CCCCCNC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] CCC[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)NCC[*:1]
CCCCCNC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] O=C([O-])[*:1] CCCCCNC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1[*:1]
CCCCCNC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] CCCCC[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)N[*:1]
C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] C[C@H](CC(=O)Nc1cccc(c1)N1CCCC1)NC(=O)NC[*:1]
C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NCc1ncn(C)n1 C1CCN(C1)[*:1] C[C@H](CC(=O)Nc1cccc(c1)[*:1])NC(=O)NCc1ncn(C)n1
C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NCc1ncn(C)n1 Cn1cnc(C[*:1])n1 C[C@H](CC(=O)Nc1cccc(c1)N1CCCC1)NC(=O)N[*:1]
CC[C@@H](CO)NC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] CC[C@@H](CO)NC(=O)N[C@@H](C)c1cnn(c1C)[*:1]
CC[C@@H](CO)NC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C CC[C@@H](CO)[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@H](C)NC(=O)N[*:1]
C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 C[C@H](O)C[*:1] CC(C)(C[NH2+][C@H]1CCCOc2cc(Br)ccc21)[*:1]
C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 C[C@H](O)[*:1] CC(C)(C[NH2+][C@H]1CCCOc2cc(Br)ccc21)C[*:1]
C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 C[C@H](O)CC(C)(C)[*:1] Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[*:1]
CC[C@H](CNC(=O)C1CCN(Cc2nccn2C)CC1)c1ccccc1 Cn1ccnc1C[*:1] CC[C@H](CNC(=O)C1CCN(CC1)[*:1])c1ccccc1
CC[C@H](CNC(=O)C1CCN(Cc2nccn2C)CC1)c1ccccc1 Cn1ccnc1[*:1] CC[C@H](CNC(=O)C1CCN(CC1)C[*:1])c1ccccc1
CC[C@H](CNC(=O)C1CCN(Cc2nccn2C)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CNC(=O)C1CCN(CC1)Cc1nccn1C)[*:1]
Cc1cc2cc(NC(=O)CN3CSCC3=O)ccc2[nH]1 O=C1CSCN1[*:1] Cc1cc2cc(ccc2[nH]1)NC(=O)C[*:1]
O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC[C@@H]1c1ccccc1 Clc1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCC[C@@H]1c1ccccc1
O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H]1[*:1]
CC[NH+]1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)c2nnnn2C2CCCC2)CC1 C1CCC(C1)n1nnnc1[*:1] CC[NH+]1CCN(CC1)[C@H](c1cc2cc3OCCOc3cc2[nH]c1=O)[*:1]
CC[NH+]1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)c2nnnn2C2CCCC2)CC1 C1CCC(C1)[*:1] CC[NH+]1CCN(CC1)[C@H](c1cc2cc3OCCOc3cc2[nH]c1=O)c1nnnn1[*:1]
O=C(CCC(=O)N1CCC([C@H](O)c2ccccc2)CC1)N1CCOCC1 O[C@H](c1ccccc1)[*:1] O=C(CCC(=O)N1CCC(CC1)[*:1])N1CCOCC1
O=C(CCC(=O)N1CCC([C@H](O)c2ccccc2)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(CC[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
O=C(CCC(=O)N1CCC([C@H](O)c2ccccc2)CC1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(CC1)[C@H](O)[*:1])N1CCOCC1
COc1ccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)OCC(=O)N1CCN(CC1)c1oc(C=C[*:1])nc1C#N
COc1ccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 COc1ccc(cc1)OC[*:1] N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(CC1)C(=O)[*:1]
COc1ccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 COc1ccc(cc1)[*:1] N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(CC1)C(=O)CO[*:1]
COc1ccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 Clc1ccccc1C=C[*:1] COc1ccc(cc1)OCC(=O)N1CCN(CC1)c1oc(nc1C#N)[*:1]
COc1ccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 COc1ccc(cc1)O[*:1] N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(CC1)C(=O)C[*:1]
Cc1ccccc1CC(=O)Nc1ccc(OC2CCCC2)cc1 Cc1ccccc1[*:1] O=C(C[*:1])Nc1ccc(cc1)OC1CCCC1
Cc1ccccc1CC(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] Cc1ccccc1CC(=O)Nc1ccc(cc1)O[*:1]
Cc1ccccc1CC(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] Cc1ccccc1CC(=O)Nc1ccc(cc1)[*:1]
O=C([O-])c1cc(NC(=O)c2ncccc2C(=O)[O-])ccc1O O=C([O-])[*:1] O=C([O-])c1cc(ccc1O)NC(=O)c1ncccc1[*:1]
O=C([O-])c1cc(NC(=O)c2ncccc2C(=O)[O-])ccc1O O=C([O-])[*:1] O=C([O-])c1cccnc1C(=O)Nc1ccc(O)c(c1)[*:1]
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cc(-c2ccc(F)cc2F)on1 Fc1ccc(c(F)c1)[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cc(on1)[*:1]
Cc1cccc(OCC[C@H](C)CCS)c1[N+](=O)[O-] SCC[*:1] Cc1cccc(OCC[C@H](C)[*:1])c1[N+](=O)[O-]
Cc1cccc(OCC[C@H](C)CCS)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(OCC[C@H](C)CCS)c1[*:1]
Cc1cccc(OCC[C@H](C)CCS)c1[N+](=O)[O-] C[C@H](CCS)C[*:1] Cc1cccc(OC[*:1])c1[N+](=O)[O-]
CC(C)C[C@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1Cl NC(=O)N[*:1] CC(C)C[C@H](C(=O)NCCc1ccc(Cl)cc1Cl)[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1Cl CC(C)[*:1] NC(=O)N[C@@H](C[*:1])C(=O)NCCc1ccc(Cl)cc1Cl
CC(C)C[C@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1Cl CC(C)C[*:1] NC(=O)N[C@H](C(=O)NCCc1ccc(Cl)cc1Cl)[*:1]
Cc1noc(CCC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)n1 Cc1noc(CC[*:1])n1 C[C@@H](NC(=O)[*:1])c1ccc(cc1)-c1ccncc1
Cc1noc(CCC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)n1 Cc1noc(n1)[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc(cc1)-c1ccncc1
Cc1noc(CCC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)n1 Cc1noc(C[*:1])n1 C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccncc1
Cc1noc(CCC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)n1 c1cc(ccn1)[*:1] Cc1noc(CCC(=O)N[C@H](C)c2ccc(cc2)[*:1])n1
C[C@H]1C[C@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 NC(=O)[*:1] C[C@H]1C[C@H]1C(=O)Nc1ccc(c(Cl)c1)[*:1]
C[C@H]1C[C@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 C[C@H]1C[C@@H]1[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)[*:1]
Cc1cc(NC(=O)CC[NH+]2CCN(Cc3nccn3C(F)F)CC2)no1 Cc1cc(no1)[*:1] O=C(CC[NH+]1CCN(CC1)Cc1nccn1C(F)F)N[*:1]
Cc1cc(NC(=O)CC[NH+]2CCN(Cc3nccn3C(F)F)CC2)no1 FC(F)n1ccnc1[*:1] Cc1cc(no1)NC(=O)CC[NH+]1CCN(CC1)C[*:1]
Cc1cc(NC(=O)CC[NH+]2CCN(Cc3nccn3C(F)F)CC2)no1 FC(F)[*:1] Cc1cc(no1)NC(=O)CC[NH+]1CCN(CC1)Cc1nccn1[*:1]
CCc1ccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+](C)CCNC(=O)C1CCN(CC1)C(=O)N[*:1]
CNC(=O)[C@@H]1CCCN(c2cc(C)ccc2[N+](=O)[O-])C1 CNC(=O)[*:1] Cc1ccc(c(c1)N1CCC[C@H](C1)[*:1])[N+](=O)[O-]
CNC(=O)[C@@H]1CCCN(c2cc(C)ccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CNC(=O)[C@@H]1CCCN(C1)c1cc(C)ccc1[*:1]
CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(Br)s2)ccc1Cl CN(C)S(=O)(=O)[*:1] O=C(NCc1ccc(Br)s1)c1ccc(Cl)c(c1)[*:1]
CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(Br)s2)ccc1Cl Brc1ccc(C[*:1])s1 CN(C)S(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(Br)s2)ccc1Cl Brc1ccc(s1)[*:1] CN(C)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC[*:1]
Cc1cccc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1 c1cncc(c1)[*:1] Cc1cccc(n1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cccc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1 Cc1cccc(n1)[*:1] O=S(=O)(c1cccnc1)N1CCC[C@H](C1)[*:1]
CCNc1ncnc(Oc2ccc(C)cc2)c1[N+](=O)[O-] CCN[*:1] Cc1ccc(cc1)Oc1ncnc(c1[N+](=O)[O-])[*:1]
CCNc1ncnc(Oc2ccc(C)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1ncnc(Oc2ccc(C)cc2)c1[*:1]
C#CC[C@@H](C)OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O C#CC[*:1] C[C@@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[*:1]
C#CC[C@@H](C)OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O C#CC[C@@H](C)[*:1] O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)O[*:1]
CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1F CCOC(=O)[*:1] Cc1ccc(C#N)c(n1)SCC1OC(N)=C(C#N)[C@@H](C=1[*:1])c1ccccc1F
CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1F Cc1ccc(C#N)c(n1)[*:1] CCOC(=O)C1=C(CS[*:1])OC(N)=C(C#N)[C@@H]1c1ccccc1F
CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1F Cc1ccc(C#N)c(n1)S[*:1] CCOC(=O)C1=C(C[*:1])OC(N)=C(C#N)[C@@H]1c1ccccc1F
CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@H]1[*:1]
C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(OC2CCOCC2)cc1 C1CC(CCO1)[*:1] C[C@H]([NH2+]C[C@@H](O)[*:1])c1ccc(cc1)OC1CCOCC1
C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(OC2CCOCC2)cc1 C1CC(CCO1)O[*:1] C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(cc1)[*:1]
C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(OC2CCOCC2)cc1 C1CC(CCO1)[*:1] C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(cc1)O[*:1]
C#CCOc1ccccc1CN1CCC(N2CCO[C@@H](C)C2)CC1 C#CC[*:1] C[C@H]1CN(CCO1)C1CCN(CC1)Cc1ccccc1O[*:1]
C#CCOc1ccccc1CN1CCC(N2CCO[C@@H](C)C2)CC1 C[C@H]1CN(CCO1)[*:1] C#CCOc1ccccc1CN1CCC(CC1)[*:1]
C#CCOc1ccccc1CN1CCC(N2CCO[C@@H](C)C2)CC1 C#CCO[*:1] C[C@H]1CN(CCO1)C1CCN(CC1)Cc1ccccc1[*:1]
Cc1occc1C(=O)Nc1scc(C2CCCCC2)c1C(N)=O C1CCC(CC1)[*:1] Cc1occc1C(=O)Nc1scc(c1C(N)=O)[*:1]
Cc1occc1C(=O)Nc1scc(C2CCCCC2)c1C(N)=O NC(=O)[*:1] Cc1occc1C(=O)Nc1scc(c1[*:1])C1CCCCC1
Cc1occc1C(=O)Nc1scc(C2CCCCC2)c1C(N)=O Cc1occc1[*:1] NC(=O)c1c(csc1NC(=O)[*:1])C1CCCCC1
Cn1cccc1C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 Cn1cccc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[*:1]
C[C@@H](C[NH+]1CCCC1)NC(=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C[NH+]1CCCC1)NC(=O)C(c1ccccc1)[*:1]
[NH3+]CCOCC(=O)N1CCC[C@@H]1C(=O)NC1CC1 O=C(NC1CC1)[*:1] [NH3+]CCOCC(=O)N1CCC[C@H]1[*:1]
[NH3+]CCOCC(=O)N1CCC[C@@H]1C(=O)NC1CC1 C1CC1[*:1] [NH3+]CCOCC(=O)N1CCC[C@@H]1C(=O)N[*:1]
C=CCN1C(=O)c2ccc(C(=O)OCc3cccc(C(F)(F)F)c3)cc2C1=O C=CC[*:1] O=C(OCc1cccc(c1)C(F)(F)F)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
C=CCN1C(=O)c2ccc(C(=O)OCc3cccc(C(F)(F)F)c3)cc2C1=O FC(F)(F)[*:1] C=CCN1C(=O)c2ccc(cc2C1=O)C(=O)OCc1cccc(c1)[*:1]
C/C(=C\CCCl)C(C)(C)C ClCC[*:1] CC(=C[*:1])C(C)(C)C
CC[C@H]([NH2+]C)c1ccn(Cc2ccsc2)c1 c1cc(cs1)[*:1] CC[C@H]([NH2+]C)c1ccn(c1)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1cccc2nsnc12 c1cc(c2nsnc2c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1cccc2nsnc12 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNS(=O)(=O)c1cccc2nsnc12)[*:1]
N#Cc1ccncc1NCCN1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] N#Cc1ccncc1NCCN1CCN(CC1)[*:1]
Cc1cccc(NC(=O)COC(=O)c2oc(C)cc2C)c1 Cc1cc(C)c(o1)[*:1] Cc1cccc(c1)NC(=O)COC(=O)[*:1]
Cc1cccc(NC(=O)COC(=O)c2oc(C)cc2C)c1 Cc1cccc(c1)[*:1] Cc1cc(C)c(o1)C(=O)OCC(=O)N[*:1]
COc1cccc(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 CN(C)C(=O)[*:1] COc1cccc(c1)SCC(=O)Nc1ccc(cc1)[*:1]
COc1cccc(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 COc1cccc(c1)[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)CS[*:1]
C[C@@H](O)CN(C)C(=O)N[C@H](C)c1ccccc1Cl C[C@@H](O)C[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccccc1Cl
C[C@@H](O)CN(C)C(=O)N[C@H](C)c1ccccc1Cl C[C@@H](O)[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1ccccc1Cl
Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)c2)no1 Cc1nc(no1)[*:1] O=C(Nc1ccc2OCCOc2c1)[C@H]1CCCN(C1)S(=O)(=O)c1cc(cs1)[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)c2)no1 c1cc2OCCOc2cc1[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OC)c(OC)c1 COC(=O)[*:1] COc1ccc(cc1OC)[C@@H]1c2c(O[C@@H]1[*:1])c1ccccc1oc2=O
CO[C@H]1CCCN(C(=O)NCc2ccccc2OC(F)(F)F)C1 FC(F)(F)O[*:1] CO[C@H]1CCCN(C1)C(=O)NCc1ccccc1[*:1]
CO[C@H]1CCCN(C(=O)NCc2ccccc2OC(F)(F)F)C1 FC(F)(F)[*:1] CO[C@H]1CCCN(C1)C(=O)NCc1ccccc1O[*:1]
C[C@H]1C[C@H]1n1c(N)nc2cc(Cl)c(Cl)cc21 C[C@H]1C[C@@H]1[*:1] Nc1nc2cc(Cl)c(Cl)cc2n1[*:1]
CS(=O)(=O)N1CCc2nc([C@H]3CCN(C(=O)CC4CCCCC4)C3)[nH]c(=O)c2C1 C1CCC(CC1)[*:1] CS(=O)(=O)N1CCc2nc([nH]c(=O)c2C1)[C@H]1CCN(C1)C(=O)C[*:1]
CS(=O)(=O)N1CCc2nc([C@H]3CCN(C(=O)CC4CCCCC4)C3)[nH]c(=O)c2C1 C1CCC(CC1)C[*:1] CS(=O)(=O)N1CCc2nc([nH]c(=O)c2C1)[C@H]1CCN(C1)C(=O)[*:1]
O=C(Nc1ccc2c(c1)CCC2)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)C[*:1] O=C(Nc1ccc2CCCc2c1)[C@@H](n1cnnn1)[*:1]
O=C(Nc1ccc2c(c1)CCC2)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)[*:1] O=C(Nc1ccc2CCCc2c1)[C@@H](C[*:1])n1cnnn1
O=C(Nc1ccc2c(c1)CCC2)[C@@H](Cc1ccccc1)n1cnnn1 c1nnnn1[*:1] O=C(Nc1ccc2CCCc2c1)[C@@H](Cc1ccccc1)[*:1]
COC(=O)c1c(NC(=O)CSc2ccc(C)cc2)sc2c1CCC2 Cc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)CS[*:1])sc2CCCc21
COC(=O)c1c(NC(=O)CSc2ccc(C)cc2)sc2c1CCC2 COC(=O)[*:1] Cc1ccc(cc1)SCC(=O)Nc1sc2CCCc2c1[*:1]
COC(=O)c1c(NC(=O)CSc2ccc(C)cc2)sc2c1CCC2 Cc1ccc(cc1)S[*:1] COC(=O)c1c(NC(=O)C[*:1])sc2CCCc21
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 CCO[*:1] Cc1ccc(cc1NC(=O)/C(C#N)=C/c1ccc(cc1)[*:1])[N+](=O)[O-]
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 O=[N+]([O-])[*:1] CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(ccc2C)[*:1])cc1
C=CCC(=O)Nc1c(C)cnn1C(CC)CC CCC(CC)[*:1] C=CCC(=O)Nc1c(C)cnn1[*:1]
C=CCC(=O)Nc1c(C)cnn1C(CC)CC C=CC[*:1] CCC(CC)n1ncc(C)c1NC(=O)[*:1]
Cc1nonc1Cn1ccc([C@H](C)O)c1 C[C@H](O)[*:1] Cc1nonc1Cn1ccc(c1)[*:1]
O=[N+]([O-])c1ccc2oc(SC[C@@H]3CCC[NH2+]3)nc2c1 O=[N+]([O-])[*:1] c1cc2oc(nc2cc1[*:1])SC[C@@H]1CCC[NH2+]1
NC(=S)Cc1cccc(O)c1 NC(=S)[*:1] Oc1cccc(c1)C[*:1]
C[NH+]1CCC(CCNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 N#Cc1ccccc1[*:1] C[NH+]1CCC(CCNC(=O)NCc2ccc(cc2)[*:1])CC1
COC(=O)[C@H]1C=CCN1C(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 COC(=O)[*:1] C[C@]12CC[C@H](C[C@@H]1C(=O)N1CC=C[C@@H]1[*:1])[C@@]1(C2)NC(=O)c2ccccc2O1
COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)Cc1cnc(NC(=O)C(C#N)=C[*:1])s1
COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC Cc1ccc(cc1)C[*:1] COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(s2)[*:1])cc1OC
COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(C[*:1])s2)cc1OC
C[C@H](Oc1c(Br)cccc1Br)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](Oc1c(Br)cccc1Br)[*:1]
C[C@H](Cc1cccs1)NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@H](Cc1cccs1)NC(=O)N[C@](C)(C(=O)[O-])[*:1]
C[C@H](Cc1cccs1)NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F c1csc(c1)C[*:1] C[C@H](NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)[*:1]
C[C@H](Cc1cccs1)NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F
C[C@H](Cc1cccs1)NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@H](Cc1cccs1)NC(=O)N[C@](C)(C(F)(F)F)[*:1]
CCC[C@@H](C)[NH2+]CC1CCCCC1 CCC[*:1] C[C@@H]([NH2+]CC1CCCCC1)[*:1]
Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(N3CCCCC3)o2)[C@@H]2CCS(=O)(=O)C2)c1 C1CCN(CC1)[*:1] Cc1cc(C)cc(c1)O[C@@H](C)C(=O)N(Cc1ccc(o1)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(N3CCCCC3)o2)[C@@H]2CCS(=O)(=O)C2)c1 Cc1cc(C)cc(c1)O[C@@H](C)[*:1] O=C(N(Cc1ccc(o1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(N3CCCCC3)o2)[C@@H]2CCS(=O)(=O)C2)c1 c1cc(oc1N1CCCCC1)[*:1] Cc1cc(C)cc(c1)O[C@@H](C)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(N3CCCCC3)o2)[C@@H]2CCS(=O)(=O)C2)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](O[*:1])C(=O)N(Cc1ccc(o1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1
Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(N3CCCCC3)o2)[C@@H]2CCS(=O)(=O)C2)c1 Cc1cc(C)cc(c1)O[*:1] C[C@@H](C(=O)N(Cc1ccc(o1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(C1CC1)N1CCS[C@]12C(=O)N(Cc1ccc(F)cc1F)c1ccccc12 C1CC1[*:1] O=C1N(Cc2ccc(F)cc2F)c2ccccc2[C@@]12SCCN2C(=O)[*:1]
O=C(C1CC1)N1CCS[C@]12C(=O)N(Cc1ccc(F)cc1F)c1ccccc12 Fc1ccc(c(F)c1)[*:1] O=C(C1CC1)N1CCS[C@]12C(=O)N(C[*:1])c1ccccc12
O=C(C1CC1)N1CCS[C@]12C(=O)N(Cc1ccc(F)cc1F)c1ccccc12 Fc1ccc(C[*:1])c(F)c1 O=C(C1CC1)N1CCS[C@]12C(=O)N(c1ccccc12)[*:1]
CCCCC(=O)Nc1ccc2nc(C)n(-c3ccc(Cl)cc3)c(=O)c2c1 Clc1ccc(cc1)[*:1] CCCCC(=O)Nc1ccc2nc(C)n(c(=O)c2c1)[*:1]
CCCCC(=O)Nc1ccc2nc(C)n(-c3ccc(Cl)cc3)c(=O)c2c1 CCCC[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccc(Cl)cc1)NC(=O)[*:1]
CCCCC(=O)Nc1ccc2nc(C)n(-c3ccc(Cl)cc3)c(=O)c2c1 CCC[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccc(Cl)cc1)NC(=O)C[*:1]
CCCCC(=O)Nc1ccc2nc(C)n(-c3ccc(Cl)cc3)c(=O)c2c1 CCCCC(=O)N[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccc(Cl)cc1)[*:1]
COc1ccc([C@@H](C)NC(=O)CC[C@@H](C)O)cc1OC C[C@@H](O)CC[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)[*:1]
COc1ccc([C@@H](C)NC(=O)CC[C@@H](C)O)cc1OC C[C@@H](O)[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)CC[*:1]
COc1ccc([C@@H](C)NC(=O)CC[C@@H](C)O)cc1OC C[C@@H](O)C[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)C[*:1]
C[C@H](C(=O)NCC1CC1)S(=O)(=O)c1ccc(F)cc1 C1CC1[*:1] C[C@H](C(=O)NC[*:1])S(=O)(=O)c1ccc(F)cc1
C[C@H](C(=O)NCC1CC1)S(=O)(=O)c1ccc(F)cc1 C1CC1C[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)c1ccc(F)cc1
CC(=C/c1cccc([N+](=O)[O-])c1)/C=N/NC(N)=S NC(=S)NN=C[*:1] CC(=Cc1cccc(c1)[N+](=O)[O-])[*:1]
CC(=C/c1cccc([N+](=O)[O-])c1)/C=N/NC(N)=S O=[N+]([O-])[*:1] CC(=C/c1cccc(c1)[*:1])/C=N/NC(N)=S
CCc1nc2ccccc2n1C1CC[NH+](CC(=O)NCC(C)C)CC1 CC(C)C[*:1] CCc1nc2ccccc2n1C1CC[NH+](CC1)CC(=O)N[*:1]
CCc1nc2ccccc2n1C1CC[NH+](CC(=O)NCC(C)C)CC1 CC(C)[*:1] CCc1nc2ccccc2n1C1CC[NH+](CC1)CC(=O)NC[*:1]
CCc1nc2ccccc2n1C1CC[NH+](CC(=O)NCC(C)C)CC1 CC(C)CNC(=O)C[*:1] CCc1nc2ccccc2n1C1CC[NH+](CC1)[*:1]
CCc1nc2ccccc2n1C1CC[NH+](CC(=O)NCC(C)C)CC1 CC(C)CNC(=O)[*:1] CCc1nc2ccccc2n1C1CC[NH+](CC1)C[*:1]
O=C(/C=C/c1cccs1)N1CCN(C[C@H](O)c2ccco2)CC1 O[C@H](c1ccco1)[*:1] O=C(/C=C/c1cccs1)N1CCN(CC1)C[*:1]
O=C(/C=C/c1cccs1)N1CCN(C[C@H](O)c2ccco2)CC1 C(=C[*:1])c1cccs1 O=C(N1CCN(CC1)C[C@H](O)c1ccco1)[*:1]
O=C(/C=C/c1cccs1)N1CCN(C[C@H](O)c2ccco2)CC1 c1csc(c1)[*:1] O=C(C=C[*:1])N1CCN(CC1)C[C@H](O)c1ccco1
O=C(/C=C/c1cccs1)N1CCN(C[C@H](O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(/C=C/c1cccs1)N1CCN(CC1)C[C@H](O)[*:1]
Cc1ccncc1NC(=O)NC[C@@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] Cc1ccncc1NC(=O)NC[C@@H](C)O[*:1]
Cc1ccncc1NC(=O)NC[C@@H](C)Oc1ccccc1 Cc1ccncc1[*:1] C[C@H](CNC(=O)N[*:1])Oc1ccccc1
Cc1ccncc1NC(=O)NC[C@@H](C)Oc1ccccc1 c1ccc(cc1)O[*:1] Cc1ccncc1NC(=O)NC[C@@H](C)[*:1]
Cc1ccnn1-c1ccc(C(=O)Nc2nncs2)cc1 Cc1ccnn1[*:1] O=C(Nc1nncs1)c1ccc(cc1)[*:1]
Cc1ccnn1-c1ccc(C(=O)Nc2nncs2)cc1 c1nnc(s1)[*:1] Cc1ccnn1-c1ccc(cc1)C(=O)N[*:1]
CC1=C(C#N)[C@@H](c2cc(I)ccc2F)C2=C(CC(C)(C)CC2=O)N1 Fc1ccc(I)cc1[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C#N)[*:1]
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1cc(C#N)cn1C c1ccc(cc1)[*:1] Cc1c(nn(c1NC(=O)c1cc(C#N)cn1C)[*:1])C(C)(C)C
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1cc(C#N)cn1C CC(C)(C)[*:1] Cc1c(nn(-c2ccccc2)c1NC(=O)c1cc(C#N)cn1C)[*:1]
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1cc(C#N)cn1C Cn1cc(C#N)cc1[*:1] Cc1c(nn(-c2ccccc2)c1NC(=O)[*:1])C(C)(C)C
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)cc(Br)c1OCc1cccc(C)c1 Cc1cccc(c1)CO[*:1] COc1cc(cc(Br)c1[*:1])[C@@H]1C2C(=O)CCCC=2Nc2ncnn21
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)cc(Br)c1OCc1cccc(C)c1 Cc1cccc(c1)C[*:1] COc1cc(cc(Br)c1O[*:1])[C@@H]1C2C(=O)CCCC=2Nc2ncnn21
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)cc(Br)c1OCc1cccc(C)c1 Cc1cccc(c1)[*:1] COc1cc(cc(Br)c1OC[*:1])[C@@H]1C2C(=O)CCCC=2Nc2ncnn21
COc1ccc(N2C(N)=[NH+]C[C@]2(C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)N1C(N)=[NH+]C[C@@]1(C)[*:1]
O=C(CSC1CCCC1)Nc1ccccc1N1CCCC1=O C1CCC(C1)[*:1] O=C(CS[*:1])Nc1ccccc1N1CCCC1=O
O=C(CSC1CCCC1)Nc1ccccc1N1CCCC1=O C1CCC(C1)S[*:1] O=C(C[*:1])Nc1ccccc1N1CCCC1=O
O=C(CSC1CCCC1)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(CSC1CCCC1)Nc1ccccc1[*:1]
O=C(CSC1CCCC1)Nc1ccccc1N1CCCC1=O C1CCC(C1)SC[*:1] O=C1CCCN1c1ccccc1NC(=O)[*:1]
CC(C)(C)N(C(=O)[O-])[C@H](C=O)Cc1ccccc1 CC(C)(C)[*:1] O=C[C@H](Cc1ccccc1)N(C(=O)[O-])[*:1]
CC(C)(C)N(C(=O)[O-])[C@H](C=O)Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)N(C(=O)[O-])[C@H](C=O)C[*:1]
CC(C)[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(F)cc3)CCN2C1=O Fc1ccc(cc1)[*:1] CC(C)[C@@H]1NC(=O)[C@H]2CN(CCN2C1=O)C(=O)O[*:1]
CC(C)[C@@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccc(F)cc3)CCN2C1=O CC(C)[*:1] O=C1N[C@H](C(=O)N2CCN(C[C@H]12)C(=O)Oc1ccc(F)cc1)[*:1]
C[C@H](C(=O)N1CCCN(Cc2cccs2)CC1)[NH+]1CCCCCC1 c1csc(c1)C[*:1] C[C@H](C(=O)N1CCCN(CC1)[*:1])[NH+]1CCCCCC1
C[C@H](C(=O)N1CCCN(Cc2cccs2)CC1)[NH+]1CCCCCC1 c1csc(c1)[*:1] C[C@H](C(=O)N1CCCN(CC1)C[*:1])[NH+]1CCCCCC1
CC[C@H](C)NC(=O)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1 CC[C@H](C)[*:1] O=C(N[*:1])c1ccc(cc1)NCC(=O)N1CCCc2ccccc21
CC[C@H](C)NC(=O)c1ccc(NCC(=O)N2CCCc3ccccc32)cc1 CC[C@H](C)NC(=O)[*:1] O=C(CNc1ccc(cc1)[*:1])N1CCCc2ccccc21
CCOC(=O)C[C@@H]1CCCN(c2ccc(Cl)nn2)C1 CCOC(=O)C[*:1] Clc1ccc(nn1)N1CCC[C@H](C1)[*:1]
CCOC(=O)C[C@@H]1CCCN(c2ccc(Cl)nn2)C1 CCOC(=O)[*:1] Clc1ccc(nn1)N1CCC[C@H](C1)C[*:1]
Cc1ccc(C(=O)/N=C(/[N-]Cc2c(C)nn(C)c2C)Nc2ccccc2)cc1F Cc1nn(C)c(C)c1[*:1] Cc1ccc(cc1F)C(=O)/N=C(/[N-]C[*:1])Nc1ccccc1
Cc1ccc(C(=O)/N=C(/[N-]Cc2c(C)nn(C)c2C)Nc2ccccc2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)C(=O)/N=C(/[N-]Cc1c(C)nn(C)c1C)N[*:1]
Cc1ccc(C(=O)/N=C(/[N-]Cc2c(C)nn(C)c2C)Nc2ccccc2)cc1F Cc1ccc(cc1F)[*:1] Cc1nn(C)c(C)c1C[N-]/C(=N/C(=O)[*:1])Nc1ccccc1
N#CC(C#N)=c1s/c(=C/c2ccsc2)c(=O)n1-c1ccc2c(c1)CCC2 c1cc(cs1)[*:1] N#CC(C#N)=c1sc(=C[*:1])c(=O)n1-c1ccc2CCCc2c1
O=C([C@H](O)c1ccccc1)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 O[C@H](c1ccccc1)[*:1] O=C(N1C[C@@H](O)C[C@@H]1c1ccc(cc1)C(F)(F)F)[*:1]
O=C([C@H](O)c1ccccc1)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C([C@H](O)[*:1])N1C[C@@H](O)C[C@@H]1c1ccc(cc1)C(F)(F)F
O=C([C@H](O)c1ccccc1)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C([C@H](O)c1ccccc1)N1C[C@@H](O)C[C@@H]1c1ccc(cc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCCCNC2=O)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)N[C@H]1CCCCNC1=O)[*:1]
O=C(C[C@H]1OC(=O)c2ccccc21)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)N[C@@H]1CCCC[C@@H]1O[*:1]
O=C(C[C@H]1OC(=O)c2ccccc21)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)N[C@@H]1CCCC[C@H]1[*:1]
CC(C)(COc1ccc2c(c1)OCC2=O)C(=O)NN NNC(=O)[*:1] CC(C)(COc1ccc2C(=O)COc2c1)[*:1]
Cc1cc(C)c2c(c1)N(C(=O)C[C@@H](O)c1ccccc1)CCC2 c1ccc(cc1)[*:1] Cc1cc(C)c2CCCN(C(=O)C[C@@H](O)[*:1])c2c1
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1 CC(C)C(=O)N[*:1] O=C(Nc1ccccc1)c1cccc(c1)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1 CC(C)[*:1] O=C(Nc1ccccc1)c1cccc(c1)NC(=O)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1cccc(C)c1OCC1=C[C@@H](C(=O)NCc2cc3ccccc3[nH]2)NO1 Cc1cccc(C)c1O[*:1] O=C(NCc1cc2ccccc2[nH]1)[C@@H]1C=C(C[*:1])ON1
Cc1cccc(C)c1OCC1=C[C@@H](C(=O)NCc2cc3ccccc3[nH]2)NO1 c1ccc2[nH]c(cc2c1)[*:1] Cc1cccc(C)c1OCC1=C[C@H](NO1)C(=O)NC[*:1]
Cc1cccc(C)c1OCC1=C[C@@H](C(=O)NCc2cc3ccccc3[nH]2)NO1 Cc1cccc(C)c1[*:1] O=C(NCc1cc2ccccc2[nH]1)[C@@H]1C=C(CO[*:1])ON1
O=[N+]([O-])c1ccc(NNS(=O)(=O)c2ccc(Br)cc2)nc1 Brc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(nc1)NNS(=O)(=O)[*:1]
O=[N+]([O-])c1ccc(NNS(=O)(=O)c2ccc(Br)cc2)nc1 O=[N+]([O-])[*:1] O=S(=O)(NNc1ccc(cn1)[*:1])c1ccc(Br)cc1
O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=c1c2cnn(-c3ccccc3Cl)c2ncn1C[*:1]
O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCCCC1 Clc1ccccc1[*:1] O=C(Cn1cnc2c(cnn2[*:1])c1=O)N1CCCCC1
Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3cccc(Cl)c3)CC2)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)CCNC(=O)N[*:1]
Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3cccc(Cl)c3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)[*:1])Nc1cccc(Cl)c1
COc1cc([C@@H](N)C(F)(F)F)c(Br)c(Br)c1O FC(F)(F)[*:1] COc1cc(c(Br)c(Br)c1O)[C@@H](N)[*:1]
O=C(NCc1ccccc1Cn1cccn1)NC[C@H]1CCC[C@H]1O c1cnn(c1)C[*:1] O=C(NCc1ccccc1[*:1])NC[C@H]1CCC[C@H]1O
O=C(NCc1ccccc1Cn1cccn1)NC[C@H]1CCC[C@H]1O c1cnn(c1)[*:1] O=C(NCc1ccccc1C[*:1])NC[C@H]1CCC[C@H]1O
CCc1ccsc1-c1nnc([C@@H](Br)CC)o1 CC[C@H](Br)[*:1] CCc1ccsc1-c1nnc(o1)[*:1]
CC(C)c1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)c1cc(Br)ccc1NC(=O)COc1ccc(cc1)[*:1]
CC(C)c1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 CC(C)[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])Nc1ccc(Br)cc1[*:1]
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] COC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)[*:1])N1CCC(C)CC1)N1CC[NH+](C)CC1
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 CC1CCN(CC1)[*:1] COC(=O)c1ccc(c(c1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1])N1CC[NH+](C)CC1
COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 COC(=O)[*:1] CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)Nc1cc(ccc1N1CC[NH+](C)CC1)[*:1]
COc1cccc([C@@H]2CN(Cc3cn(C)c(=O)n(C)c3=O)CCO2)c1 COc1cccc(c1)[*:1] Cn1cc(CN2CCO[C@@H](C2)[*:1])c(=O)n(C)c1=O
CC(C)c1cccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 C1CCC(C1)C[*:1] CC(C)c1cccc(c1)NC(=O)N1CCC(CC1)NC(=O)[*:1]
CC(C)c1cccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 O=C(CC1CCCC1)N[*:1] CC(C)c1cccc(c1)NC(=O)N1CCC(CC1)[*:1]
CC(C)c1cccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 C1CCC(C1)[*:1] CC(C)c1cccc(c1)NC(=O)N1CCC(CC1)NC(=O)C[*:1]
CC(C)c1cccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 CC(C)c1cccc(c1)[*:1] O=C(CC1CCCC1)NC1CCN(CC1)C(=O)N[*:1]
CC(C)c1cccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1 CC(C)[*:1] O=C(CC1CCCC1)NC1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
CCN(CCC#N)C(=O)c1occc1Br N#CC[*:1] CCN(C[*:1])C(=O)c1occc1Br
CCN(CCC#N)C(=O)c1occc1Br N#CCC[*:1] CCN(C(=O)c1occc1Br)[*:1]
CC(C)(C)OC(=O)N(CC[NH3+])C1CCCC1 C1CCC(C1)[*:1] CC(C)(C)OC(=O)N(CC[NH3+])[*:1]
CC(C)(C)OC(=O)N(CC[NH3+])C1CCCC1 CC(C)(C)[*:1] [NH3+]CCN(C(=O)O[*:1])C1CCCC1
CC(C)(C)OC(=O)N(CC[NH3+])C1CCCC1 [NH3+]CC[*:1] CC(C)(C)OC(=O)N(C1CCCC1)[*:1]
O=C(CSc1nccn1C1CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(CSc1nccn1C1CC1)N1CCN(CC1)c1cccc(c1)[*:1]
O=C(CSc1nccn1C1CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 C1CC1[*:1] O=C(CSc1nccn1[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C(CSc1nccn1C1CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 c1cn(c(n1)[*:1])C1CC1 O=C(CS[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C(CSc1nccn1C1CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 c1cn(c(n1)S[*:1])C1CC1 O=C(C[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
Cc1nn2c(C)c(C(=O)N[C@H](C)c3ccccc3)cnc2c1-c1ccccc1 C[C@H](c1ccccc1)[*:1] Cc1nn2c(C)c(cnc2c1-c1ccccc1)C(=O)N[*:1]
Cc1nn2c(C)c(C(=O)N[C@H](C)c3ccccc3)cnc2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn2c(C)c(cnc2c1-c1ccccc1)C(=O)N[C@H](C)[*:1]
Cc1nn2c(C)c(C(=O)N[C@H](C)c3ccccc3)cnc2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn2c(C)c(cnc2c1[*:1])C(=O)N[C@H](C)c1ccccc1
CCN(C[C@@H](C)C#N)C(=O)c1cscc1C C[C@@H](C#N)C[*:1] CCN(C(=O)c1cscc1C)[*:1]
CCN(C[C@@H](C)C#N)C(=O)c1cscc1C C[C@@H](C#N)[*:1] CCN(C[*:1])C(=O)c1cscc1C
O=C(CN1CCN(C(=O)CC(F)(F)F)CC1)N1CCCC1 FC(F)(F)[*:1] O=C(CN1CCN(CC1)C(=O)C[*:1])N1CCCC1
O=C(CN1CCN(C(=O)CC(F)(F)F)CC1)N1CCCC1 FC(F)(F)C[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])N1CCCC1
O=C(CN1CCN(C(=O)CC(F)(F)F)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(CC(F)(F)F)N1CCN(CC1)C[*:1]
C#Cc1cccc(N(C)C(=O)c2cnc(Oc3ccccc3)cn2)c1 C#Cc1cccc(c1)[*:1] CN(C(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
C#Cc1cccc(N(C)C(=O)c2cnc(Oc3ccccc3)cn2)c1 c1ccc(cc1)O[*:1] C#Cc1cccc(c1)N(C)C(=O)c1cnc(cn1)[*:1]
C#Cc1cccc(N(C)C(=O)c2cnc(Oc3ccccc3)cn2)c1 c1ccc(cc1)[*:1] C#Cc1cccc(c1)N(C)C(=O)c1cnc(cn1)O[*:1]
N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)[O-] c1csc(c1)[*:1] N#Cc1c(cc(nc1SCC(=O)[O-])[*:1])C(F)(F)F
N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)[O-] O=C([O-])[*:1] N#Cc1c(cc(nc1SC[*:1])-c1cccs1)C(F)(F)F
N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)[O-] FC(F)(F)[*:1] N#Cc1c(cc(nc1SCC(=O)[O-])-c1cccs1)[*:1]
N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)[O-] O=C([O-])CS[*:1] N#Cc1c(cc(nc1[*:1])-c1cccs1)C(F)(F)F
N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)[O-] O=C([O-])C[*:1] N#Cc1c(cc(nc1S[*:1])-c1cccs1)C(F)(F)F
Cc1nc([C@H]2CCCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)N[*:1])[C@H]1CCCCN1C(=O)c1ccc(=O)n(C)c1
Cc1nc([C@H]2CCCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] Cc1nc(ncc1[*:1])[C@H]1CCCCN1C(=O)c1ccc(=O)n(C)c1
Cc1nc([C@H]2CCCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)Nc1ccccc1 Cn1cc(ccc1=O)[*:1] Cc1nc(ncc1C(=O)Nc1ccccc1)[C@H]1CCCCN1C(=O)[*:1]
C[C@@H](OC(=O)C1(c2ccc(Cl)cc2)CCOCC1)[C@H]1CCOC1 Clc1ccc(cc1)[*:1] C[C@@H](OC(=O)C1(CCOCC1)[*:1])[C@H]1CCOC1
Cc1ccc(S(=O)(=O)CCC#N)cc1[N+](=O)[O-] N#CCC[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)CCC#N)cc1[N+](=O)[O-] N#CC[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)C[*:1]
Cc1ccc(S(=O)(=O)CCC#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)CCC#N
CCOC(=O)C1(C(=O)OCc2ccc(C#N)cc2)CC1 CCOC(=O)[*:1] N#Cc1ccc(cc1)COC(=O)C1(CC1)[*:1]
CCCCNC(=O)NNC(=O)c1cnc(Cc2ccccc2)s1 CCCC[*:1] O=C(NNC(=O)c1cnc(Cc2ccccc2)s1)N[*:1]
CCCCNC(=O)NNC(=O)c1cnc(Cc2ccccc2)s1 CCC[*:1] O=C(NC[*:1])NNC(=O)c1cnc(Cc2ccccc2)s1
CCCCNC(=O)NNC(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] CCCCNC(=O)NNC(=O)c1cnc(s1)[*:1]
CCCCNC(=O)NNC(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] CCCCNC(=O)NNC(=O)c1cnc(C[*:1])s1
Cn1cc(Nc2nc3ccc([N+](=O)[O-])cc3o2)cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)Nc1nc2ccc(cc2o1)[*:1]
Cn1cc(Nc2nc3ccc([N+](=O)[O-])cc3o2)cn1 Cn1cc(cn1)[*:1] O=[N+]([O-])c1ccc2nc(N[*:1])oc2c1
Cn1cc(CNCc2ccccc2-n2ccnc2)c(-c2cccnc2)n1 c1cn(cn1)[*:1] Cn1cc(CNCc2ccccc2[*:1])c(n1)-c1cccnc1
Cn1cc(CNCc2ccccc2-n2ccnc2)c(-c2cccnc2)n1 c1cncc(c1)[*:1] Cn1cc(CNCc2ccccc2-n2ccnc2)c(n1)[*:1]
N#Cc1cccc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)c1 N#Cc1cccc(c1)[*:1] O=C1c2ccc(cc2C(=O)N1[*:1])-c1nc2ccccc2c(=O)o1
COc1cc(CN(CCC#N)Cc2ccccn2)cc2c1OCO2 c1ccc(C[*:1])nc1 COc1cc(cc2OCOc12)CN(CCC#N)[*:1]
COc1cc(CN(CCC#N)Cc2ccccn2)cc2c1OCO2 N#CC[*:1] COc1cc(cc2OCOc12)CN(Cc1ccccn1)C[*:1]
COc1cc(CN(CCC#N)Cc2ccccn2)cc2c1OCO2 N#CCC[*:1] COc1cc(cc2OCOc12)CN(Cc1ccccn1)[*:1]
COc1cc(CN(CCC#N)Cc2ccccn2)cc2c1OCO2 c1ccc(nc1)[*:1] COc1cc(cc2OCOc12)CN(CCC#N)C[*:1]
Cc1cc(S(=O)(=O)NCC#N)sc1Br N#CC[*:1] Cc1cc(sc1Br)S(=O)(=O)N[*:1]
NC(=O)[C@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] NC(=O)[C@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccc(cc1)[*:1]
NC(=O)[C@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 NC(=O)[*:1] O=C([C@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)N1CCOC[C@@H]1[*:1]
C[C@H]1CCC[C@H](C(=O)N[C@@H](CO)c2ccco2)C1 c1coc(c1)[*:1] C[C@H]1CCC[C@@H](C1)C(=O)N[C@@H](CO)[*:1]
c1cncc(C[NH+]2CCN(c3nc4nonc4nc3N3CCCCCC3)CC2)c1 C1CCCN(CC1)[*:1] c1cncc(c1)C[NH+]1CCN(CC1)c1nc2nonc2nc1[*:1]
c1cncc(C[NH+]2CCN(c3nc4nonc4nc3N3CCCCCC3)CC2)c1 c1cncc(c1)[*:1] C1CCCN(CC1)c1nc2nonc2nc1N1CC[NH+](CC1)C[*:1]
c1cncc(C[NH+]2CCN(c3nc4nonc4nc3N3CCCCCC3)CC2)c1 c1cncc(c1)C[*:1] C1CCCN(CC1)c1nc2nonc2nc1N1CC[NH+](CC1)[*:1]
COc1ccc(F)c(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 C1CCC(CC1)[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
CS(=O)(=O)N1CC[C@]2(O)CCN(c3ncccn3)C[C@@H]2C1 c1cnc(nc1)[*:1] CS(=O)(=O)N1CC[C@]2(O)CCN(C[C@@H]2C1)[*:1]
O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)CN1CCc2ccccc2C1)[*:1]
O=C(CCc1cccnc1)Nc1nc2c(s1)C(=O)CCC2 c1cncc(c1)[*:1] O=C(CC[*:1])Nc1nc2CCCC(=O)c2s1
O=C(CCc1cccnc1)Nc1nc2c(s1)C(=O)CCC2 c1cncc(c1)C[*:1] O=C(C[*:1])Nc1nc2CCCC(=O)c2s1
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 C1CN(CCO1)[*:1] COC(=O)c1cc(ccc1NC(=O)c1ccc2c(=O)n3CCCCCc3nc2c1)[*:1]
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 COC(=O)[*:1] O=C(Nc1ccc(cc1[*:1])N1CCOCC1)c1ccc2c(=O)n3CCCCCc3nc2c1
Cc1ccnc([C@@H](O)[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] Cc1ccnc(c1)[C@@H](O)[C@H]1CCC[C@H](C1)[*:1]
Cc1ccc2sc(N(Cc3cccnc3)C(=O)CN3C(=O)c4ccccc4C3=O)nc2c1C c1cncc(c1)C[*:1] Cc1ccc2sc(nc2c1C)N(C(=O)CN1C(=O)c2ccccc2C1=O)[*:1]
Cc1ccc2sc(N(Cc3cccnc3)C(=O)CN3C(=O)c4ccccc4C3=O)nc2c1C Cc1ccc2sc(nc2c1C)[*:1] O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1cccnc1)[*:1]
Cc1ccc2sc(N(Cc3cccnc3)C(=O)CN3C(=O)c4ccccc4C3=O)nc2c1C c1cncc(c1)[*:1] Cc1ccc2sc(nc2c1C)N(C[*:1])C(=O)CN1C(=O)c2ccccc2C1=O
Cc1ccc2sc(N(Cc3cccnc3)C(=O)CN3C(=O)c4ccccc4C3=O)nc2c1C O=C1c2ccccc2C(=O)N1[*:1] Cc1ccc2sc(nc2c1C)N(Cc1cccnc1)C(=O)C[*:1]
Cc1cccn2c(=O)c(C(=O)OCC3(CC#N)CC3)cnc12 N#CCC1(CC1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)OC[*:1]
Cc1cccn2c(=O)c(C(=O)OCC3(CC#N)CC3)cnc12 N#CC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)OCC1(CC1)[*:1]
Cc1cccn2c(=O)c(C(=O)OCC3(CC#N)CC3)cnc12 N#CCC1(CC1)C[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)O[*:1]
COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCN(Cc1ccccc1)C2 CC(C)(C)[*:1] COC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)Cc1ccccc1
COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] COC(=O)c1c(NC(=O)C(C)(C)C)sc2CN(CCc21)[*:1]
COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCN(Cc1ccccc1)C2 CC(C)(C)C(=O)N[*:1] COC(=O)c1c(sc2CN(CCc21)Cc1ccccc1)[*:1]
COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)C(C)(C)C)sc2CN(CCc21)C[*:1]
COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCN(Cc1ccccc1)C2 COC(=O)[*:1] CC(C)(C)C(=O)Nc1sc2CN(CCc2c1[*:1])Cc1ccccc1
Cc1cnc(S(=O)(=O)[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc1 Cc1cnc(nc1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)S(=O)(=O)[*:1]
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1c([O-])n(-c2ccccc2)c2ccccc2c1=O Clc1ccc(cc1)[*:1] C/C(=N\NC(=O)[*:1])c1c([O-])n(-c2ccccc2)c2ccccc2c1=O
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1c([O-])n(-c2ccccc2)c2ccccc2c1=O c1ccc(cc1)[*:1] C/C(=N\NC(=O)c1ccc(Cl)cc1)c1c([O-])n(c2ccccc2c1=O)[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 C[C@H]1C[C@@H]1C(=O)N[*:1] c1ccc2sc(nc2c1)-c1ccc(cc1)[*:1]
N/C(=N/OC(=O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N/C(=N/OC(=O)c1ccc2ccccc2c1)c1cccc(c1)[*:1]
Cc1cc(C)c2c(c1)c(C)cc(=O)n2[C@@H](C)C(=O)Nc1nc(C)c(C(=O)OC(C)C)s1 CC(C)OC(=O)[*:1] Cc1cc(C)c2c(c1)c(C)cc(=O)n2[C@@H](C)C(=O)Nc1nc(C)c(s1)[*:1]
Cc1cc(C)c2c(c1)c(C)cc(=O)n2[C@@H](C)C(=O)Nc1nc(C)c(C(=O)OC(C)C)s1 CC(C)[*:1] Cc1cc(C)c2c(c1)c(C)cc(=O)n2[C@@H](C)C(=O)Nc1nc(C)c(s1)C(=O)O[*:1]
O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CSc1nnc(o1)-c1ccncc1)Nc1ccc(cc1)[*:1]
O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccc(C(F)(F)F)cc1 c1cc(ccn1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc(cc1)C(F)(F)F
CCOC[C@H]1CCCN(C(=O)c2ccc3c([O-])[nH]c(=S)nc3c2)C1 CCO[*:1] O=C(c1ccc2c([O-])[nH]c(=S)nc2c1)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)c2ccc3c([O-])[nH]c(=S)nc3c2)C1 CCOC[*:1] O=C(c1ccc2c([O-])[nH]c(=S)nc2c1)N1CCC[C@@H](C1)[*:1]
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)Oc1ccccc1)[C@@H](C[*:1])n1cnnn1
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@@H](Cc1ccccc1)n1cnnn1
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H](Cc1ccccc1)n1cnnn1 c1nnnn1[*:1] O=C(Nc1ccc(cc1)Oc1ccccc1)[C@@H](Cc1ccccc1)[*:1]
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H](Cc1ccccc1)n1cnnn1
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)Oc1ccccc1)[C@@H](n1cnnn1)[*:1]
CC[C@H](C)c1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CC[C@H](C)c1ccc(cc1)NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)[*:1]
CC[C@H](C)c1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 CC[C@H](C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1C(=O)CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)c1ccnc(N(C)C)c1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)c1ccnc(c1)N(C)C)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)c1ccnc(N(C)C)c1 CN(C)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)c1ccnc(c1)[*:1]
Cc1ccc(CN2C[C@H](C(=O)N(C(C)C)C3CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)N(C(=O)[C@@H]1CC(=O)N(C1)C[*:1])C1CC1
Cc1ccc(CN2C[C@H](C(=O)N(C(C)C)C3CC3)CC2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)N(C1CC1)[*:1]
Cc1ccc(CN2C[C@H](C(=O)N(C(C)C)C3CC3)CC2=O)cc1 C1CC1[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)N(C(C)C)[*:1]
Cc1cc(NC(=O)NC2CC[NH+](CC(N)=O)CC2)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)NC2CC[NH+](CC2)CC(N)=O)n(C[*:1])n1
Cc1cc(NC(=O)NC2CC[NH+](CC(N)=O)CC2)n(Cc2ccccc2)n1 NC(=O)[*:1] Cc1cc(NC(=O)NC2CC[NH+](CC2)C[*:1])n(Cc2ccccc2)n1
Cc1cc(NC(=O)NC2CC[NH+](CC(N)=O)CC2)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)NC2CC[NH+](CC2)CC(N)=O)n(n1)[*:1]
CCONC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O CCONC(=O)[*:1] Cc1ccc(C)c(c1)N1C(=O)c2ccc(cc2C1=O)[*:1]
CCONC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O Cc1ccc(C)c(c1)[*:1] CCONC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
C[C@@H](CCCO)NC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] C[C@@H](CCCO)NC(=O)N1CCN(CC1)c1ccc(cn1)[*:1]
C[C@@H](CCCO)NC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 OCCC[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
C[C@@H](CCCO)NC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 OCC[*:1] C[C@@H](C[*:1])NC(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
C[C@@H]1CN(C(=O)NCc2cccc(OCC(F)F)n2)C[C@@H]1C FC(F)CO[*:1] C[C@@H]1CN(C[C@@H]1C)C(=O)NCc1cccc(n1)[*:1]
C[C@@H]1CN(C(=O)NCc2cccc(OCC(F)F)n2)C[C@@H]1C FC(F)C[*:1] C[C@@H]1CN(C[C@@H]1C)C(=O)NCc1cccc(n1)O[*:1]
C[C@@H]1CN(C(=O)NCc2cccc(OCC(F)F)n2)C[C@@H]1C FC(F)[*:1] C[C@@H]1CN(C[C@@H]1C)C(=O)NCc1cccc(n1)OC[*:1]
CON(C)S(=O)(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 CON(C)S(=O)(=O)[*:1] Cc1c(oc2ccccc12)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)CSCc1ccncc1)c1cccc(-n2cccn2)c1 c1cc(ccn1)[*:1] C[C@H](NC(=O)CSC[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)CSCc1ccncc1)c1cccc(-n2cccn2)c1 c1cc(ccn1)C[*:1] C[C@H](NC(=O)CS[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)CSCc1ccncc1)c1cccc(-n2cccn2)c1 c1cc(ccn1)CS[*:1] C[C@H](NC(=O)C[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)CSCc1ccncc1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)CSCc1ccncc1)c1cccc(c1)[*:1]
Cc1ncccc1NC(=O)C(=O)NC[C@@H]1CCCc2ccccc21 Cc1ncccc1[*:1] O=C(NC[C@@H]1CCCc2ccccc21)C(=O)N[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)/C=C/c2ccccc2)CC3)no1 c1ccc(cc1)[*:1] Cc1cc(no1)C(=O)Nc1nc2CCN(Cc2s1)S(=O)(=O)C=C[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)/C=C/c2ccccc2)CC3)no1 Cc1cc(no1)C(=O)N[*:1] O=S(=O)(/C=C/c1ccccc1)N1CCc2nc(sc2C1)[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)/C=C/c2ccccc2)CC3)no1 Cc1cc(no1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)/C=C/c1ccccc1)[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)/C=C/c2ccccc2)CC3)no1 C(=C[*:1])c1ccccc1 Cc1cc(no1)C(=O)Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1]
Nc1c(Br)cc(C(=O)[O-])cc1Br O=C([O-])[*:1] Nc1c(Br)cc(cc1Br)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(cc1Cl)[*:1]
C[C@@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1nncn1C C[C@@H](c1nncn1C)[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)CNC(=O)N[*:1]
C[C@@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1nncn1C Cn1cnnc1[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)CN1CC[NH+](C)CC1)[*:1]
FC(F)(F)c1ccc(SCCC2OCCCO2)nc1 C1COC(OC1)[*:1] FC(F)(F)c1ccc(nc1)SCC[*:1]
FC(F)(F)c1ccc(SCCC2OCCCO2)nc1 FC(F)(F)[*:1] c1cc(ncc1[*:1])SCCC1OCCCO1
CC(=O)Nc1c(C)cc(C(c2cc(C)c(NC(C)=O)c(C)c2)c2ccco2)cc1C CC(=O)N[*:1] CC(=O)Nc1c(C)cc(cc1C)C(c1cc(C)c(c(C)c1)[*:1])c1ccco1
CC(=O)Nc1c(C)cc(C(c2cc(C)c(NC(C)=O)c(C)c2)c2ccco2)cc1C c1coc(c1)[*:1] CC(=O)Nc1c(C)cc(cc1C)C(c1cc(C)c(NC(C)=O)c(C)c1)[*:1]
C[C@H](N[C@H](C)[C@@H](C)N1CCOCC1)c1ccc2[nH]c(=O)[nH]c2c1 C1CN(CCO1)[*:1] C[C@H](N[C@H](C)[C@@H](C)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CCCn1nnnc1CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C O=S1(=O)CC[C@@H](C1)[*:1] CCCn1nnnc1CSc1nnc(n1C)[*:1]
CCCn1nnnc1CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C CCC[*:1] Cn1c(nnc1[C@H]1CCS(=O)(=O)C1)SCc1nnnn1[*:1]
CS(=O)(=O)Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 CS(=O)(=O)[*:1] O=C(Nc1nc(cs1)-c1ccc2CCCCc2c1)c1ccc(cc1)C[*:1]
CS(=O)(=O)Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 CS(=O)(=O)C[*:1] O=C(Nc1nc(cs1)-c1ccc2CCCCc2c1)c1ccc(cc1)[*:1]
CC(C)c1cccc2cc([C@@H](C)O)c(Cl)nc12 C[C@@H](O)[*:1] CC(C)c1cccc2cc(c(Cl)nc12)[*:1]
CC(C)c1cccc2cc([C@@H](C)O)c(Cl)nc12 CC(C)[*:1] C[C@@H](O)c1cc2cccc(c2nc1Cl)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1OC(F)F FC(F)[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1O[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1OC(F)F Fc1ccccc1O[*:1] C[C@H](C(=O)NNC(=O)c1ccccc1OC(F)F)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1OC(F)F FC(F)O[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1OC(F)F Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1ccccc1OC(F)F
CC/C(=C\c1cccc(C(F)(F)F)c1)C[NH3+] FC(F)(F)[*:1] CC/C(=C\c1cccc(c1)[*:1])C[NH3+]
CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@H](C)[C@H](O)C1 c1ccc(cc1)C[*:1] CSCC[C@@H](NC(=O)[*:1])C(=O)N1CC[C@H](C)[C@H](O)C1
CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@H](C)[C@H](O)C1 CSCC[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)[C@H](NC(=O)Cc1ccccc1)[*:1]
CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@H](C)[C@H](O)C1 c1ccc(cc1)[*:1] CSCC[C@@H](NC(=O)C[*:1])C(=O)N1CC[C@H](C)[C@H](O)C1
CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@H](C)[C@H](O)C1 CSC[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)[C@@H](C[*:1])NC(=O)Cc1ccccc1
COC(=O)c1ccc(OC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)OC(=O)[C@@H]1C[C@H]1[*:1]
COC(=O)c1ccc(OC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1 COC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])[C@@H]1C[C@@H]1[N+](=O)[O-]
C/[NH+]=C(/NCc1cccc(CO)c1)N[C@H]1CCC[C@H](C)C1 C[C@H]1CCC[C@@H](C1)[*:1] C/[NH+]=C(/NCc1cccc(c1)CO)N[*:1]
O=C(NCc1ccc(F)cc1)c1ccccc1-n1cnnn1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccccc1-n1cnnn1
O=C(NCc1ccc(F)cc1)c1ccccc1-n1cnnn1 c1nnnn1[*:1] O=C(NCc1ccc(F)cc1)c1ccccc1[*:1]
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ncccc2C#N)CC1 N#Cc1cccnc1[*:1] C[C@H](c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ncccc2C#N)CC1 O=[N+]([O-])[*:1] C[C@H](c1cccc(c1)[*:1])N1CCN(CC1)c1ncccc1C#N
O=C(CN1CC(=O)Oc2ccccc21)Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(CN1CC(=O)Oc2ccccc21)N[*:1]
CC(C)Oc1ccccc1C(=O)NC(=S)N1CCCCCC1 CC(C)[*:1] O=C(NC(=S)N1CCCCCC1)c1ccccc1O[*:1]
CC(C)Oc1ccccc1C(=O)NC(=S)N1CCCCCC1 CC(C)O[*:1] O=C(NC(=S)N1CCCCCC1)c1ccccc1[*:1]
CCOC(=O)[C@H]1[C@H](c2ccc(Br)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F CCOC(=O)[*:1] CN1C(=O)N[C@@H](c2ccc(Br)cc2)[C@@H]([C@@]1(O)C(F)(F)F)[*:1]
CCOC(=O)[C@H]1[C@H](c2ccc(Br)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F Brc1ccc(cc1)[*:1] CCOC(=O)[C@H]1[C@H](NC(=O)N(C)[C@]1(O)C(F)(F)F)[*:1]
CCOC(=O)[C@H]1[C@H](c2ccc(Br)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@H]1[C@@H](NC(=O)N(C)[C@@]1(O)[*:1])c1ccc(Br)cc1
C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCC1CC1 C1CC1C[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)N[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCC1CC1 C1CC1[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC[*:1]
CC(C)(O)CSCCNC(=O)N1CC[C@@H]2CCCC[C@@H]21 CC(C)(O)CS[*:1] O=C(NCC[*:1])N1CC[C@@H]2CCCC[C@@H]21
CC(C)(O)CSCCNC(=O)N1CC[C@@H]2CCCC[C@@H]21 CC(C)(O)C[*:1] O=C(NCCS[*:1])N1CC[C@@H]2CCCC[C@@H]21
CC(C)(O)CSCCNC(=O)N1CC[C@@H]2CCCC[C@@H]21 CC(C)(O)[*:1] O=C(NCCSC[*:1])N1CC[C@@H]2CCCC[C@@H]21
CC(C)Oc1ncccc1CNC(=O)N(C[C@@H]1C[C@@H]1C)C(C)C CC(C)O[*:1] CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCc1cccnc1[*:1]
CC(C)Oc1ncccc1CNC(=O)N(C[C@@H]1C[C@@H]1C)C(C)C CC(C)[*:1] CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCc1cccnc1O[*:1]
CC(C)Oc1ncccc1CNC(=O)N(C[C@@H]1C[C@@H]1C)C(C)C CC(C)[*:1] CC(C)Oc1ncccc1CNC(=O)N(C[C@@H]1C[C@@H]1C)[*:1]
C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] C[C@H]1C2C(=O)CC(C)(C)CC=2Nc2ccccc2N1CC(=O)NCC[*:1]
C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)C[*:1] C[C@H]1C2C(=O)CC(C)(C)CC=2Nc2ccccc2N1CC(=O)NC[*:1]
C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)CC[*:1] C[C@H]1C2C(=O)CC(C)(C)CC=2Nc2ccccc2N1CC(=O)N[*:1]
C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)[C@H](O)c1ccc(Br)cc1 O[C@H](c1ccc(Br)cc1)[*:1] C[C@@H](Nc1nc(nc2ccccc12)-c1ccncc1)[*:1]
C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)[C@H](O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](Nc1nc(nc2ccccc12)-c1ccncc1)[C@H](O)[*:1]
C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)[C@H](O)c1ccc(Br)cc1 c1cc(ccn1)[*:1] C[C@@H](Nc1nc(nc2ccccc12)[*:1])[C@H](O)c1ccc(Br)cc1
CN(C(=O)c1ccccc1NC(=O)[C@@H]1CCCS1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1ccccc1NC(=O)[C@@H]1CCCS1)[*:1]
CCc1ccccc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccco1 c1coc(c1)[*:1] CCc1ccccc1N[C@@H]1c2ccccc2C(=O)N1C[*:1]
CCc1ccccc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccco1 CCc1ccccc1[*:1] O=C1c2ccccc2[C@@H](N[*:1])N1Cc1ccco1
CCc1ccccc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccco1 c1coc(c1)C[*:1] CCc1ccccc1N[C@@H]1c2ccccc2C(=O)N1[*:1]
Cc1ccccc1CC(=O)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 Cc1ccccc1C[*:1] O=C(N1CCC[C@H](C1)c1nc(O)cc(n1)-c1ccncc1)[*:1]
Cc1ccccc1CC(=O)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 Cc1ccccc1[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1nc(O)cc(n1)-c1ccncc1
Cc1ccccc1CC(=O)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 c1cc(ccn1)[*:1] Cc1ccccc1CC(=O)N1CCC[C@H](C1)c1nc(O)cc(n1)[*:1]
O=C(NCc1ccccn1)N1CCCC[C@H]1CCc1ccccc1 c1ccc(nc1)[*:1] O=C(NC[*:1])N1CCCC[C@H]1CCc1ccccc1
O=C(NCc1ccccn1)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCc1ccccn1)N1CCCC[C@H]1C[*:1]
O=C(NCc1ccccn1)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(NCc1ccccn1)N1CCCC[C@@H]1[*:1]
O=C(NCc1ccccn1)N1CCCC[C@H]1CCc1ccccc1 c1ccc(C[*:1])nc1 O=C(N[*:1])N1CCCC[C@H]1CCc1ccccc1
O=C(NCc1ccccn1)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccccn1)N1CCCC[C@H]1CC[*:1]
COc1cccc(CCC(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 COc1cccc(c1)[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)c1nnc2CCCCCn21
COc1cccc(CCC(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 COc1cccc(c1)C[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1nnc2CCCCCn21
O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@@H](COc2ccccc2)C1 c1ccc(cc1)O[*:1] O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@H](C1)C[*:1]
O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@@H](COc2ccccc2)C1 c1ccc(cc1)OC[*:1] O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@@H](C1)[*:1]
O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@@H](COc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@@H](CO[*:1])C1
O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@@H](COc2ccccc2)C1 Fc1ccc(cc1)[*:1] O=C(CC=C[*:1])N1CCC[C@@H](COc2ccccc2)C1
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccco1 c1coc(c1)[*:1] CN(C)c1ccc(cc1NC(=O)NC[*:1])S(=O)(=O)N(C)C
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccco1 c1coc(c1)C[*:1] CN(C)c1ccc(cc1NC(=O)N[*:1])S(=O)(=O)N(C)C
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccco1 CN(C)S(=O)(=O)[*:1] CN(C)c1ccc(cc1NC(=O)NCc1ccco1)[*:1]
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccco1 CN(C)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)NC(=O)NCc1ccco1)[*:1]
CC(C)c1nnc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)o1 CC(C)[*:1] O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)Nc1nnc(o1)[*:1]
CC(C)c1nnc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)o1 c1coc(c1)[*:1] CC(C)c1nnc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C[*:1])o1
CC(C)c1nnc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)o1 CC(C)c1nnc(o1)[*:1] O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)N[*:1]
CC(C)c1nnc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)o1 c1coc(c1)C[*:1] CC(C)c1nnc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2[*:1])o1
CCOc1ccccc1C(=O)N1CC[NH+](CCNC(=O)c2ccc3c(c2)OCO3)CC1 CCOc1ccccc1[*:1] O=C(NCC[NH+]1CCN(CC1)C(=O)[*:1])c1ccc2OCOc2c1
CCOc1ccccc1C(=O)N1CC[NH+](CCNC(=O)c2ccc3c(c2)OCO3)CC1 CCO[*:1] O=C(NCC[NH+]1CCN(CC1)C(=O)c1ccccc1[*:1])c1ccc2OCOc2c1
CCOc1ccccc1C(=O)N1CC[NH+](CCNC(=O)c2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] CCOc1ccccc1C(=O)N1CC[NH+](CCNC(=O)[*:1])CC1
CN(Cc1ccc([N+](=O)[O-])o1)Cc1cc(Br)cs1 Brc1csc(c1)[*:1] CN(Cc1ccc(o1)[N+](=O)[O-])C[*:1]
CN(Cc1ccc([N+](=O)[O-])o1)Cc1cc(Br)cs1 O=[N+]([O-])[*:1] CN(Cc1ccc(o1)[*:1])Cc1cc(Br)cs1
COC(=O)C1CCN(c2ncnc(Nc3cc(Cl)ccc3Cl)c2N)CC1 Clc1ccc(Cl)c(c1)[*:1] COC(=O)C1CCN(CC1)c1ncnc(N[*:1])c1N
COC(=O)C1CCN(c2ncnc(Nc3cc(Cl)ccc3Cl)c2N)CC1 COC(=O)[*:1] Nc1c(ncnc1N1CCC(CC1)[*:1])Nc1cc(Cl)ccc1Cl
O=C(CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1)Nc1cccc(Br)c1 c1ccc2c(cccc2c1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])Nc1cccc(Br)c1
O=C(CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1cccc2ccccc12)N[*:1]
O=C(CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1)Nc1cccc(Br)c1 O=C(Nc1cccc(Br)c1)[*:1] C(=N/Nc1nc(n[nH]1)SC[*:1])\c1cccc2ccccc12
Cc1cc(C)nc(SCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)n1 Cc1cc(C)nc(n1)[*:1] CN1CCN(C(=O)CS[*:1])[C@H](C1)c1ccccc1
Cc1cc(C)nc(SCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)SCC(=O)N1CCN(C)C[C@H]1[*:1]
Cc1ccc(C[S@@](=O)Cc2ccc(S(=O)(=O)N(C)C)o2)cc1 Cc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(C[S@](=O)C[*:1])o1
Cc1ccc(C[S@@](=O)Cc2ccc(S(=O)(=O)N(C)C)o2)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1)C[S@@](=O)Cc1ccc(o1)[*:1]
CC(C)c1cc2[nH]ncc2cc1O CC(C)[*:1] Oc1cc2cn[nH]c2cc1[*:1]
Nc1ccc([N+](=O)[O-])c(-c2ccccc2F)n1 O=[N+]([O-])[*:1] Nc1ccc(c(n1)-c1ccccc1F)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Cn1cncn1 c1ncn(n1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H](C)C[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Cn1cncn1 c1ncn(C[*:1])n1 Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[*:1]
Nc1ccc(C(=O)N/N=C2\CCSc3ccc(F)cc32)cc1 Nc1ccc(cc1)[*:1] O=C(N/N=C1\CCSc2ccc(F)cc21)[*:1]
Cc1oc(-c2ccccc2)nc1CC(=O)NCCS(=O)(=O)N1CCc2ccccc21 c1ccc(cc1)[*:1] Cc1oc(nc1CC(=O)NCCS(=O)(=O)N1CCc2ccccc21)[*:1]
CC[C@H](C(=O)Nc1nnc(C2CC2)s1)c1ccccc1 C1CC1[*:1] CC[C@H](C(=O)Nc1nnc(s1)[*:1])c1ccccc1
CC[C@H](C(=O)Nc1nnc(C2CC2)s1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1nnc(s1)C1CC1)[*:1]
Cc1cnc([C@@H](C)NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)s1 c1ccc(cc1)C[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N[C@@H]1CCCN(C1=O)[*:1]
Cc1cnc([C@@H](C)NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
Cc1cnc([C@@H](C)NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N[C@@H]1CCCN(C[*:1])C1=O
Cc1ccc(-c2n[nH]c(NC(=O)c3nn(C(C)C)c(=O)c4ccccc34)n2)cc1 Cc1ccc(cc1)[*:1] CC(C)n1nc(C(=O)Nc2nc(n[nH]2)[*:1])c2ccccc2c1=O
Cc1ccc(-c2n[nH]c(NC(=O)c3nn(C(C)C)c(=O)c4ccccc34)n2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
Cc1n[nH]c(C)c1CCCNC(=O)c1cn(C2CCC([NH3+])CC2)nn1 Cc1n[nH]c(C)c1[*:1] [NH3+]C1CCC(CC1)n1cc(nn1)C(=O)NCCC[*:1]
Cc1n[nH]c(C)c1CCCNC(=O)c1cn(C2CCC([NH3+])CC2)nn1 Cc1n[nH]c(C)c1C[*:1] [NH3+]C1CCC(CC1)n1cc(nn1)C(=O)NCC[*:1]
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(F)c(C)c1 Cc1cc(ccc1F)[*:1] COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]CCCN1CCCC1=O)C2 O=C1CCCN1[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)[NH2+]CCC[*:1]
CC[C@@H](NC(=O)COc1ccc(OC)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)COc1ccc(cc1)OC)[*:1]
CCC[NH+](Cc1cncn1C)CC1CC[NH2+]CC1 Cn1cncc1[*:1] CCC[NH+](CC1CC[NH2+]CC1)C[*:1]
CCC[NH+](Cc1cncn1C)CC1CC[NH2+]CC1 CCC[*:1] Cn1cncc1C[NH+](CC1CC[NH2+]CC1)[*:1]
C#CCNC(=O)c1ccc(NC2CCSCC2)nc1 C#CC[*:1] O=C(N[*:1])c1ccc(nc1)NC1CCSCC1
C#CCNC(=O)c1ccc(NC2CCSCC2)nc1 C#CCNC(=O)[*:1] c1cc(ncc1[*:1])NC1CCSCC1
C#CCNC(=O)c1ccc(NC2CCSCC2)nc1 C1CC(CCS1)[*:1] C#CCNC(=O)c1ccc(nc1)N[*:1]
CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)OC1CCCC1)C(=O)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C=C(C1CC1)C1CC1 c1ccc(cc1)[*:1] N#C[C@@H]([C@@H]1CCCN1C(=O)C=C(C1CC1)C1CC1)[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C=C(C1CC1)C1CC1 C(=C(C1CC1)C1CC1)[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C=C(C1CC1)C1CC1 C1CC1[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C=C(C1CC1)[*:1]
CCCCN(C)S(=O)(=O)c1cc(F)c(F)cc1F CCCC[*:1] CN(S(=O)(=O)c1cc(F)c(F)cc1F)[*:1]
CCCCN(C)S(=O)(=O)c1cc(F)c(F)cc1F CCC[*:1] CN(C[*:1])S(=O)(=O)c1cc(F)c(F)cc1F
Cc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(=O)N1N=C(C[C@]1(O)[*:1])c1ccc(Cl)cc1
Cc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] O=C(N1N=C(C[C@@]1(O)C(F)(F)F)c1ccc(Cl)cc1)[*:1]
Cc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(Nc1ccc2OCCOc2c1)[C@H]1CC(=O)N(C1)[*:1]
CCCCN(C(=O)Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(Cc1cccc2ccccc12)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(Cc1cccc2ccccc12)N([C@H]1CCS(=O)(=O)C1)[*:1]
CC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 c1coc(c1)[*:1] CC(=O)c1ccc(cc1)N(C(=O)[*:1])[C@@H](C(=O)NC1CCCC1)c1cccs1
CC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 c1csc(c1)[*:1] CC(=O)c1ccc(cc1)N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)[*:1]
CC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1ccco1)[*:1]
CC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 O=C(NC1CCCC1)[*:1] CC(=O)c1ccc(cc1)N(C(=O)c1ccco1)[C@@H](c1cccs1)[*:1]
CC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 CC(=O)[*:1] O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1ccco1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 C1CCC(C1)[*:1] CC(=O)c1ccc(cc1)N(C(=O)c1ccco1)[C@@H](C(=O)N[*:1])c1cccs1
Cc1cc(=O)[nH]c(-c2ccc(N[C@H](C)c3nc4ccccc4[nH]3)nc2)n1 Cc1cc(=O)[nH]c(n1)[*:1] C[C@@H](Nc1ccc(cn1)[*:1])c1nc2ccccc2[nH]1
COCCn1ccc(NC(=O)C(=O)N2CC=C(c3ccccc3Cl)CC2)n1 COCCn1ccc(n1)[*:1] O=C(N[*:1])C(=O)N1CC=C(CC1)c1ccccc1Cl
COCCn1ccc(NC(=O)C(=O)N2CC=C(c3ccccc3Cl)CC2)n1 COC[*:1] O=C(Nc1ccn(C[*:1])n1)C(=O)N1CC=C(CC1)c1ccccc1Cl
COCCn1ccc(NC(=O)C(=O)N2CC=C(c3ccccc3Cl)CC2)n1 COCC[*:1] O=C(Nc1ccn(n1)[*:1])C(=O)N1CC=C(CC1)c1ccccc1Cl
COCCn1ccc(NC(=O)C(=O)N2CC=C(c3ccccc3Cl)CC2)n1 Clc1ccccc1[*:1] COCCn1ccc(n1)NC(=O)C(=O)N1CC=C(CC1)[*:1]
CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 C1CCC(C1)C[*:1] CC[C@@H](C(=O)Nc1ccc(OC)c(c1)NC(C)=O)[*:1]
CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 C1CCC(C1)[*:1] CC[C@@H](C[*:1])C(=O)Nc1ccc(OC)c(c1)NC(C)=O
CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 CC(=O)N[*:1] CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(OC)c(c1)[*:1]
COC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(SC(C)C)cc2)C1 CC(C)S[*:1] COC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)c1ccc(cc1)[*:1]
COC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(SC(C)C)cc2)C1 CC(C)[*:1] COC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)c1ccc(cc1)S[*:1]
Cc1cc(CC(=O)NCCc2ccc(F)cc2C)no1 Cc1cc(no1)[*:1] Cc1cc(F)ccc1CCNC(=O)C[*:1]
CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3nnc(C4CCCCC4)s3)CC2=O)cc1 CC(=O)N[*:1] O=C(Nc1nnc(s1)C1CCCCC1)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3nnc(C4CCCCC4)s3)CC2=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)C1CCCCC1)[C@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3nnc(C4CCCCC4)s3)CC2=O)cc1 C1CCC(CC1)[*:1] CC(=O)Nc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
O=C(NCCC(=O)N1CCCCC1)Nc1cccc(N2CCCCCC2)c1 O=C(N1CCCCC1)[*:1] O=C(NCC[*:1])Nc1cccc(c1)N1CCCCCC1
O=C(NCCC(=O)N1CCCCC1)Nc1cccc(N2CCCCCC2)c1 O=C(C[*:1])N1CCCCC1 O=C(NC[*:1])Nc1cccc(c1)N1CCCCCC1
O=C(NCCC(=O)N1CCCCC1)Nc1cccc(N2CCCCCC2)c1 C1CCCN(CC1)[*:1] O=C(NCCC(=O)N1CCCCC1)Nc1cccc(c1)[*:1]
C[C@H](Cl)[C@H](C)c1ccc(F)c(Br)c1 C[C@H](Cl)[*:1] C[C@H](c1ccc(F)c(Br)c1)[*:1]
Cc1cc(N2CCC([NH+](C)CCc3ccccc3Cl)CC2)nc(C)[nH+]1 Clc1ccccc1C[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)C[*:1]
Cc1cc(N2CCC([NH+](C)CCc3ccccc3Cl)CC2)nc(C)[nH+]1 Clc1ccccc1[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)CC[*:1]
Cc1cc(N2CCC([NH+](C)CCc3ccccc3Cl)CC2)nc(C)[nH+]1 Cc1cc(nc(C)[nH+]1)[*:1] C[NH+](CCc1ccccc1Cl)C1CCN(CC1)[*:1]
Cc1ccc([C@H](C)CNC(=O)[C@@H]2CCCN2C(N)=O)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[*:1]
Cc1nccc(-c2cccc(NC(=O)c3ccc(C)s3)c2)n1 Cc1ccc(s1)[*:1] Cc1nccc(n1)-c1cccc(c1)NC(=O)[*:1]
Cc1nccc(-c2cccc(NC(=O)c3ccc(C)s3)c2)n1 Cc1nccc(n1)[*:1] Cc1ccc(s1)C(=O)Nc1cccc(c1)[*:1]
COc1ccsc1CN1CCO[C@@H](c2nccs2)C1 c1csc(n1)[*:1] COc1ccsc1CN1CCO[C@@H](C1)[*:1]
COc1ccc(CCC(=O)NCc2cc(-c3cc4ccccc4o3)on2)cc1 COc1ccc(cc1)C[*:1] O=C(C[*:1])NCc1cc(on1)-c1cc2ccccc2o1
COc1ccc(CCC(=O)NCc2cc(-c3cc4ccccc4o3)on2)cc1 c1ccc2oc(cc2c1)[*:1] COc1ccc(cc1)CCC(=O)NCc1cc(on1)[*:1]
COc1ccc(CCC(=O)NCc2cc(-c3cc4ccccc4o3)on2)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])NCc1cc(on1)-c1cc2ccccc2o1
O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1 O=C([O-])[*:1] O=S(=O)(N[C@H]1CCCC[C@H]1[*:1])c1ccc2ccccc2c1
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1 FC(F)(F)[*:1] CC[C@@H](C)C(=O)N1CCC[C@@H](C1)C(=O)N(CCC#N)C[*:1]
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1 N#CC[*:1] CC[C@@H](C)C(=O)N1CCC[C@@H](C1)C(=O)N(CC(F)(F)F)C[*:1]
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1 FC(F)(F)C[*:1] CC[C@@H](C)C(=O)N1CCC[C@@H](C1)C(=O)N(CCC#N)[*:1]
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1 CC[C@@H](C)[*:1] N#CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1 N#CCC[*:1] CC[C@@H](C)C(=O)N1CCC[C@@H](C1)C(=O)N(CC(F)(F)F)[*:1]
CC(C)(C)C(=O)N1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 C1CCC(C1)[*:1] CC(C)(C)C(=O)N1CCN(CC1)C(=O)Nc1cccc(c1)O[*:1]
CC(C)(C)C(=O)N1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 C1CCC(C1)O[*:1] CC(C)(C)C(=O)N1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
CC(C)(C)C(=O)N1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)OC1CCCC1)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccon1 COC(=O)[C@H](C)[*:1] O=C(Cc1ccon1)N(Cc1ccccc1)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccon1 c1ccc(cc1)C[*:1] COC(=O)[C@H](C)N(C(=O)Cc1ccon1)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccon1 c1cc(C[*:1])no1 COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccon1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)N(C[*:1])C(=O)Cc1ccon1
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccon1 COC(=O)[*:1] C[C@H](N(Cc1ccccc1)C(=O)Cc1ccon1)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccon1 c1cc(no1)[*:1] COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C[*:1]
CC[C@@](C)(NCC(=O)N(C)OC)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@](C)(NCC(=O)N(C)OC)[*:1]
CC[C@@](C)(NCC(=O)N(C)OC)c1nc(C)cs1 CON(C)C(=O)[*:1] CC[C@@](C)(NC[*:1])c1nc(C)cs1
Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1C c1nc(oc1[*:1])C1CC1 Cc1ccc(cc1C)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1C Cc1ccc(cc1C)[*:1] O=S(=O)(N[*:1])c1ccc(cc1)-c1cnc(o1)C1CC1
Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1C C1CC1[*:1] Cc1ccc(cc1C)NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)[*:1]
Cn1cccc1[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] Cn1cccc1[C@@H]1CCCN1C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cn1cccc1[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 Cn1cccc1[*:1] N#Cc1cccc(c1)NC(=O)c1cccc(c1)NC(=O)N1CCC[C@H]1[*:1]
CN1C(=O)NC2(CC[NH+](CCSc3ccccc3)CC2)C1=O c1ccc(cc1)[*:1] CN1C(=O)NC2(CC[NH+](CCS[*:1])CC2)C1=O
CN1C(=O)NC2(CC[NH+](CCSc3ccccc3)CC2)C1=O c1ccc(cc1)S[*:1] CN1C(=O)NC2(CC[NH+](CC2)CC[*:1])C1=O
O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](Cc2ccncc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)O[*:1])C1CC[NH+](CC1)Cc1ccncc1
O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](Cc2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(Nc1ccc(nc1)Oc1ccccc1)C1CC[NH+](CC1)C[*:1]
O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] O=C(Nc1ccc(nc1)Oc1ccccc1)C1CC[NH+](CC1)[*:1]
O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](Cc2ccncc2)CC1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(nc1)[*:1])C1CC[NH+](CC1)Cc1ccncc1
Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F C1CC1[*:1] Nc1ccc(cc1C(F)(F)F)NC(=O)[*:1]
Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F FC(F)(F)[*:1] Nc1ccc(cc1[*:1])NC(=O)C1CC1
CC(C)(O)CCn1cc[nH+]c1CO CC(C)(O)[*:1] OCc1[nH+]ccn1CC[*:1]
C[C@H]1CN(c2nc(Cl)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@@H](C)O1)c1nc(Cl)nc(N)c1[*:1]
COc1cccc(CN2C(=O)C([O-])=C(S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CN1C(=O)C([O-])=C([C@@H]1c1ccccc1)S(=O)(=O)[*:1]
COc1cccc(CN2C(=O)C([O-])=C(S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 O=S(=O)(c1ccc(Cl)cc1)[*:1] COc1cccc(c1)CN1C(=O)C([O-])=C([C@@H]1c1ccccc1)[*:1]
COc1cccc(CN2C(=O)C([O-])=C(S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 COc1cccc(c1)[*:1] O=C1C([O-])=C([C@H](c2ccccc2)N1C[*:1])S(=O)(=O)c1ccc(Cl)cc1
COc1cccc(CN2C(=O)C([O-])=C(S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CN1C(=O)C([O-])=C([C@H]1[*:1])S(=O)(=O)c1ccc(Cl)cc1
COc1cccc(CN2C(=O)C([O-])=C(S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 COc1cccc(c1)C[*:1] O=C1C([O-])=C([C@H](c2ccccc2)N1[*:1])S(=O)(=O)c1ccc(Cl)cc1
O=C(NC1CCCC1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F FC(F)[*:1] O=C(NC1CCCC1)[C@H]1CCCN1C(=O)c1ccccc1O[*:1]
O=C(NC1CCCC1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F O=C(NC1CCCC1)[*:1] O=C(c1ccccc1OC(F)F)N1CCC[C@@H]1[*:1]
O=C(NC1CCCC1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F C1CCC(C1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1ccccc1OC(F)F
O=C(NC1CCCC1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F FC(F)O[*:1] O=C(NC1CCCC1)[C@H]1CCCN1C(=O)c1ccccc1[*:1]
COCCn1/c(=N/C(=O)c2ccc3nccnc3c2)sc2cc(F)ccc21 COC[*:1] O=C(/N=c1\sc2cc(F)ccc2n1C[*:1])c1ccc2nccnc2c1
COCCn1/c(=N/C(=O)c2ccc3nccnc3c2)sc2cc(F)ccc21 COCC[*:1] O=C(/N=c1\sc2cc(F)ccc2n1[*:1])c1ccc2nccnc2c1
CCC[NH2+]C[C@@H](Cc1csc(C)n1)c1cccc(Cl)c1 Cc1nc(cs1)[*:1] CCC[NH2+]C[C@@H](C[*:1])c1cccc(Cl)c1
CCC[NH2+]C[C@@H](Cc1csc(C)n1)c1cccc(Cl)c1 CCC[*:1] Cc1nc(cs1)C[C@H](C[NH2+][*:1])c1cccc(Cl)c1
CC(=O)O[C@@H]1CC[C@@]23C(=O)O[C@]4(CC[C@]2(O)C1)[C@H]1CC[C@@H](C(=O)[O-])[C@@]1(C)CC[C@@H]34 O=C([O-])[*:1] CC(=O)O[C@@H]1CC[C@@]23C(=O)O[C@]4(CC[C@]2(O)C1)[C@H]1CC[C@@H]([C@@]1(C)CC[C@@H]34)[*:1]
CC(=O)O[C@@H]1CC[C@@]23C(=O)O[C@]4(CC[C@]2(O)C1)[C@H]1CC[C@@H](C(=O)[O-])[C@@]1(C)CC[C@@H]34 CC(=O)O[*:1] C[C@]12CC[C@H]3[C@@]45CC[C@H](C[C@@]4(O)CC[C@@]3(OC5=O)[C@H]1CC[C@H]2C(=O)[O-])[*:1]
CNC(=O)[C@@H]1CCCCN1C(=O)c1ccoc1 CNC(=O)[*:1] O=C(c1ccoc1)N1CCCC[C@H]1[*:1]
CNC(=O)[C@@H]1CCCCN1C(=O)c1ccoc1 c1cc(co1)[*:1] CNC(=O)[C@@H]1CCCCN1C(=O)[*:1]
Cc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)cc1 O=S(=O)(/N=C1\CCCN1)[*:1] Cc1ccc(cc1)C[NH+](C)CC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)cc1 Cc1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1cccc(c1)S(=O)(=O)/N=C1\CCCN1)C[*:1]
Cc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)cc1 Cc1ccc(cc1)C[*:1] C[NH+](CC(=O)Nc1cccc(c1)S(=O)(=O)/N=C1\CCCN1)[*:1]
O=Cc1ccc(OCCC(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1 O=Cc1ccc(cc1)[*:1] O=C(CCO[*:1])N[C@H]1CCc2cc(Cl)ccc21
CCOC(=O)Cc1cccc2ccc(OC)cc12 CCOC(=O)C[*:1] COc1ccc2cccc(c2c1)[*:1]
CCOC(=O)Cc1cccc2ccc(OC)cc12 CCOC(=O)[*:1] COc1ccc2cccc(C[*:1])c2c1
CCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1C1CC1 C1CC1[*:1] CCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1[*:1]
CCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1C1CC1 O=C([O-])[*:1] CCN1C(=O)C[C@H]([C@H]1c1ccccc1C1CC1)[*:1]
O=C(NC[C@H]1COc2ccccc2C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@H]1COc2ccccc2C1)[*:1]
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 CC(C)(C)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)[*:1]
CC(C)[C@@H](C[NH2+]Cc1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] CC(C)[C@@H](C[NH2+]C[*:1])N1CCCC1
CC(C)[C@@H](C[NH2+]Cc1ccccc1)N1CCCC1 C1CCN(C1)[*:1] CC(C)[C@@H](C[NH2+]Cc1ccccc1)[*:1]
CC(C)[C@@H](C[NH2+]Cc1ccccc1)N1CCCC1 CC(C)[*:1] c1ccc(cc1)C[NH2+]C[C@@H](N1CCCC1)[*:1]
CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 c1ccc(cc1)[*:1] CC[C@H]([C@H]1CCCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)[*:1]
CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 CC[C@H](c1ccccc1)[*:1] O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[C@@H]1[*:1]
CC(C)N1CCC[C@H](O/N=C(/N)Cc2cccnc2)C1=O CC(C)[*:1] N/C(Cc1cccnc1)=N/O[C@H]1CCCN(C1=O)[*:1]
CC(C)N1CCC[C@H](O/N=C(/N)Cc2cccnc2)C1=O c1cncc(c1)[*:1] CC(C)N1CCC[C@H](O/N=C(/N)C[*:1])C1=O
CC(C)N1CCC[C@H](O/N=C(/N)Cc2cccnc2)C1=O c1cncc(c1)C[*:1] CC(C)N1CCC[C@H](O/N=C(/N)[*:1])C1=O
Cc1cccc(NC(=O)c2sc3c(c2C)[C@H](c2cccc(O)c2)CC(O)=N3)c1 Cc1cccc(c1)[*:1] Cc1c(sc2N=C(O)C[C@@H](c3cccc(O)c3)c21)C(=O)N[*:1]
Cc1cccc(NC(=O)c2sc3c(c2C)[C@H](c2cccc(O)c2)CC(O)=N3)c1 Oc1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)c1sc2N=C(O)C[C@@H](c2c1C)[*:1]
Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2cc(CN(S(C)(=O)=O)[*:1])c(=O)[nH]c2c1
COc1ccc(-c2noc(Cn3cnc(C4CCC4)cc3=O)n2)cc1 COc1ccc(cc1)[*:1] O=c1cc(ncn1Cc1nc(no1)[*:1])C1CCC1
COc1ccc(-c2noc(Cn3cnc(C4CCC4)cc3=O)n2)cc1 C1CC(C1)[*:1] COc1ccc(cc1)-c1noc(Cn2cnc(cc2=O)[*:1])n1
COc1ccc([C@H](CNS(=O)(=O)c2cc(Br)ccc2F)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(NC[C@H](N1CCOCC1)[*:1])c1cc(Br)ccc1F
COc1ccc([C@H](CNS(=O)(=O)c2cc(Br)ccc2F)N2CCOCC2)cc1 Fc1ccc(Br)cc1[*:1] COc1ccc(cc1)[C@H](CNS(=O)(=O)[*:1])N1CCOCC1
COc1ccc([C@H](CNS(=O)(=O)c2cc(Br)ccc2F)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNS(=O)(=O)c1cc(Br)ccc1F)[*:1]
CC(C)c1nc(C2(NC(=O)c3ccn(-c4ccccc4Cl)n3)CCCC2)no1 CC(C)c1nc(no1)[*:1] O=C(NC1(CCCC1)[*:1])c1ccn(n1)-c1ccccc1Cl
CC(C)c1nc(C2(NC(=O)c3ccn(-c4ccccc4Cl)n3)CCCC2)no1 Clc1ccccc1[*:1] CC(C)c1nc(no1)C1(CCCC1)NC(=O)c1ccn(n1)[*:1]
CC(C)c1nc(C2(NC(=O)c3ccn(-c4ccccc4Cl)n3)CCCC2)no1 CC(C)[*:1] O=C(NC1(CCCC1)c1noc(n1)[*:1])c1ccn(n1)-c1ccccc1Cl
CNS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)ccc2F)C1 CNS(=O)(=O)[*:1] Fc1ccc(Cl)cc1CN1CC[C@@H](C1)[*:1]
Cc1ccc(C(=O)N[C@H](C(=O)N2CCc3ccccc3C2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N[C@H](C(=O)N1CCc2ccccc2C1)[*:1]
Cc1ccc(C(=O)N[C@H](C(=O)N2CCc3ccccc3C2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCc2ccccc2C1
CS(=O)(=O)Cc1nc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cs1 CS(=O)(=O)[*:1] c1sc(C[*:1])nc1CN1CC[C@@H](C1)C[NH+]1CCCCC1
CS(=O)(=O)Cc1nc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cs1 CS(=O)(=O)C[*:1] c1sc(nc1CN1CC[C@@H](C1)C[NH+]1CCCCC1)[*:1]
C[C@H](Nc1ccc2nnnn2n1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H](Nc1ccc2nnnn2n1)c1cccc(c1)O[*:1]
C[C@H](Nc1ccc2nnnn2n1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H](Nc1ccc2nnnn2n1)c1cccc(c1)[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnnn2-c2ccc(O)cc2)c1 Oc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)CSc1nnnn1[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnnn2-c2ccc(O)cc2)c1 COc1ccc(OC)c(c1)[*:1] O=C(CSc1nnnn1-c1ccc(O)cc1)N1CCC[C@H]1[*:1]
CCc1[nH+]ccn1CC1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 c1ccc(cc1)O[*:1] CCc1[nH+]ccn1CC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCc1[nH+]ccn1CC1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] CCc1[nH+]ccn1CC1CCN(CC1)C(=O)c1ccc(cc1)O[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc(SCc3cccnc3)cc2)C1 c1cncc(c1)C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)S[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc(SCc3cccnc3)cc2)C1 c1cncc(c1)CS[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc(SCc3cccnc3)cc2)C1 c1cncc(c1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)SC[*:1]
COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2cc(C)cc(C)c2)C(C)C)c1 CC(C)[*:1] COc1cc(cc(c1)C(=O)N[C@H](C(=O)Nc1cc(C)cc(C)c1)[*:1])OC
COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2cc(C)cc(C)c2)C(C)C)c1 Cc1cc(C)cc(c1)[*:1] COc1cc(cc(c1)C(=O)N[C@H](C(=O)N[*:1])C(C)C)OC
CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2SCC)C1 CCCC(=O)N[*:1] CCS[C@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](C1)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2SCC)C1 CCS[*:1] CCCC(=O)N[C@@H]1CCCN(C1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2SCC)C1 CCC[*:1] CCS[C@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](C1)NC(=O)[*:1]
Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)ccc1F Cc1nnnn1[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1ccc(F)c(c1)[*:1]
CC[NH+]1CCN(c2ncc(C(=O)NCc3ccccc3OC)c(C)n2)CC1 COc1ccccc1C[*:1] CC[NH+]1CCN(CC1)c1ncc(C(=O)N[*:1])c(C)n1
CC[NH+]1CCN(c2ncc(C(=O)NCc3ccccc3OC)c(C)n2)CC1 COc1ccccc1[*:1] CC[NH+]1CCN(CC1)c1ncc(C(=O)NC[*:1])c(C)n1
C[C@H](NC(=O)[C@@H]1C[N+](C2CCCCC2)=C[C@H](C(=O)NC(C)(C)C)C1=O)c1nc2ccccc2[nH]1 C[C@H](c1nc2ccccc2[nH]1)[*:1] CC(C)(C)NC(=O)[C@H]1C=[N+](C[C@@H](C(=O)N[*:1])C1=O)C1CCCCC1
C[C@H](NC(=O)[C@@H]1C[N+](C2CCCCC2)=C[C@H](C(=O)NC(C)(C)C)C1=O)c1nc2ccccc2[nH]1 CC(C)(C)[*:1] C[C@H](NC(=O)[C@@H]1C[N+](=C[C@H](C(=O)N[*:1])C1=O)C1CCCCC1)c1nc2ccccc2[nH]1
C[C@H](NC(=O)[C@@H]1C[N+](C2CCCCC2)=C[C@H](C(=O)NC(C)(C)C)C1=O)c1nc2ccccc2[nH]1 C1CCC(CC1)[*:1] C[C@H](NC(=O)[C@@H]1C[N+](=C[C@H](C(=O)NC(C)(C)C)C1=O)[*:1])c1nc2ccccc2[nH]1
C[C@H](NC(=O)[C@@H]1C[N+](C2CCCCC2)=C[C@H](C(=O)NC(C)(C)C)C1=O)c1nc2ccccc2[nH]1 CC(C)(C)NC(=O)[*:1] C[C@H](NC(=O)[C@@H]1C[N+](=C[C@H](C1=O)[*:1])C1CCCCC1)c1nc2ccccc2[nH]1
C[C@H](NC(=O)[C@@H]1C[N+](C2CCCCC2)=C[C@H](C(=O)NC(C)(C)C)C1=O)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] C[C@H](NC(=O)[C@@H]1C[N+](=C[C@H](C(=O)NC(C)(C)C)C1=O)C1CCCCC1)[*:1]
CNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2c(C)nn(C(C)C)c2C)CCO1 Cc1nn(c(C)c1[*:1])C(C)C CNC(=O)c1sc2ccccc2c1[C@H]1CN(CCO1)C[*:1]
CNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2c(C)nn(C(C)C)c2C)CCO1 CC(C)[*:1] CNC(=O)c1sc2ccccc2c1[C@H]1CN(CCO1)Cc1c(C)nn(c1C)[*:1]
CNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2c(C)nn(C(C)C)c2C)CCO1 CNC(=O)[*:1] Cc1nn(c(C)c1CN1CCO[C@H](C1)c1c(sc2ccccc12)[*:1])C(C)C
CCC(=O)c1ccc(OC(=O)c2ccccc2-c2cncnc2)cc1 c1ncc(cn1)[*:1] CCC(=O)c1ccc(cc1)OC(=O)c1ccccc1[*:1]
CCC(=O)c1ccc(OC(=O)c2ccccc2-c2cncnc2)cc1 CCC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccccc1-c1cncnc1
O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)N[C@@H]1CCCC[C@@H]1CO C1CCCN(CC1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])N[C@@H]1CCCC[C@@H]1CO
COc1ccc(NC(=O)N[C@@H](C)c2nc(C)cs2)cc1OC Cc1csc(n1)[*:1] COc1ccc(cc1OC)NC(=O)N[C@@H](C)[*:1]
CS(=O)(=O)C[C@@H](Br)Cc1cccc(F)c1F CS(=O)(=O)C[*:1] Fc1cccc(C[C@H](Br)[*:1])c1F
CS(=O)(=O)C[C@@H](Br)Cc1cccc(F)c1F CS(=O)(=O)[*:1] Fc1cccc(C[C@H](Br)C[*:1])c1F
COc1cc(OC)c2[nH]c(C(=O)N[C@H](C)c3ccncc3)cc2c1 C[C@H](c1ccncc1)[*:1] COc1cc(OC)c2[nH]c(cc2c1)C(=O)N[*:1]
COc1cc(OC)c2[nH]c(C(=O)N[C@H](C)c3ccncc3)cc2c1 c1cc(ccn1)[*:1] COc1cc(OC)c2[nH]c(cc2c1)C(=O)N[C@H](C)[*:1]
Cn1nc(-c2ccccc2)cc1C(=O)NCC1(c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] Cn1nc(cc1C(=O)NCC1(CC1)c1ccc(F)cc1)[*:1]
Cn1nc(-c2ccccc2)cc1C(=O)NCC1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cn1nc(cc1C(=O)NCC1(CC1)[*:1])-c1ccccc1
COc1ccc(C(=O)Cn2nc(-c3ccc(SC)cc3)ccc2=O)cc1OC CSc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)Cn1nc(ccc1=O)[*:1]
CNC(=O)c1[nH]nc2c1CN(c1ncnc3sc(C)c(C)c13)CC2 CNC(=O)[*:1] Cc1sc2ncnc(c2c1C)N1CCc2n[nH]c(c2C1)[*:1]
Cn1cc(C(=O)Nc2ccccc2OC2CCCC2)ccc1=O C1CCC(C1)[*:1] Cn1cc(ccc1=O)C(=O)Nc1ccccc1O[*:1]
Cn1cc(C(=O)Nc2ccccc2OC2CCCC2)ccc1=O C1CCC(C1)O[*:1] Cn1cc(ccc1=O)C(=O)Nc1ccccc1[*:1]
COc1cc([C@H]2CC(=O)[C@H]3C(=Nc4ncnn4[C@H]3c3ccc(C)cc3)C2)cc(OC)c1OC Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CC(=O)[C@H]2C(C1)=Nc1ncnn1[C@@H]2[*:1]
Cc1c2c(cc3c1O/C(=C\c1cccc(Br)c1)C3=O)CN(Cc1ccncc1)CO2 Brc1cccc(c1)[*:1] Cc1c2OCN(Cc3ccncc3)Cc2cc2C(=O)C(=C[*:1])Oc21
Cc1c2c(cc3c1O/C(=C\c1cccc(Br)c1)C3=O)CN(Cc1ccncc1)CO2 c1cc(ccn1)[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3cccc(Br)c3)Oc21)C[*:1]
Cc1c2c(cc3c1O/C(=C\c1cccc(Br)c1)C3=O)CN(Cc1ccncc1)CO2 c1cc(ccn1)C[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3cccc(Br)c3)Oc21)[*:1]
O=C(c1ccnc(OC2CCC2)c1)N1CCOc2cc(F)ccc21 C1CC(C1)[*:1] O=C(c1ccnc(c1)O[*:1])N1CCOc2cc(F)ccc21
O=C(c1ccnc(OC2CCC2)c1)N1CCOc2cc(F)ccc21 C1CC(C1)O[*:1] O=C(c1ccnc(c1)[*:1])N1CCOc2cc(F)ccc21
CC(C)NC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1F CC(C)NC(=O)[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1ccc(F)cc1F
CC(C)NC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1F CC(C)NC(=O)C[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1F)[*:1]
CC(C)NC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1F CC(C)[*:1] C[C@H](CC(=O)N[*:1])NC(=O)C(=O)Nc1ccc(F)cc1F
CCc1ccc(C(=O)Nc2cc(C(=O)OC)ccn2)o1 COC(=O)[*:1] CCc1ccc(o1)C(=O)Nc1cc(ccn1)[*:1]
C=CCO[C@@H](C)C(=O)N[C@H](C)c1nc2ccccc2n1CC C=CC[*:1] CCn1c(nc2ccccc21)[C@@H](C)NC(=O)[C@H](C)O[*:1]
C=CCO[C@@H](C)C(=O)N[C@H](C)c1nc2ccccc2n1CC C=CCO[C@@H](C)[*:1] CCn1c(nc2ccccc21)[C@@H](C)NC(=O)[*:1]
C=CCO[C@@H](C)C(=O)N[C@H](C)c1nc2ccccc2n1CC C=CCO[*:1] CCn1c(nc2ccccc21)[C@@H](C)NC(=O)[C@H](C)[*:1]
COC[C@H](C)N1C[C@@H](C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)CC1=O COC[*:1] C[C@H](N1C[C@H](CC1=O)C(=O)N1CCC(CC1)c1nc2ccccc2cc1N)[*:1]
COC[C@H](C)N1C[C@@H](C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)CC1=O COC[C@H](C)[*:1] Nc1cc2ccccc2nc1C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CCCC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)s1 Cc1ccc(CC[*:1])s1 NC(=O)[C@@H]1CCN(C(=O)C[*:1])c2ccccc21
Cc1ccc(CCCC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)s1 Cc1ccc(C[*:1])s1 NC(=O)[C@@H]1CCN(C(=O)CC[*:1])c2ccccc21
Cc1ccc(CCCC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)s1 Cc1ccc(s1)[*:1] NC(=O)[C@@H]1CCN(C(=O)CCC[*:1])c2ccccc21
Cc1ccc(CCCC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)s1 NC(=O)[*:1] Cc1ccc(CCCC(=O)N2CC[C@@H](c3ccccc32)[*:1])s1
C[C@H](NC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1c2CSCc2nn1-c1cccc(Cl)c1)[*:1]
C[C@H](NC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccccc1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)C(=O)Nc1c2CSCc2nn1[*:1])c1ccccc1
C[C@H](NC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(Nc1c2CSCc2nn1-c1cccc(Cl)c1)C(=O)N[*:1]
CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 O=C1CCCN1[*:1] CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(Cl)c(c1)[*:1]
Cc1nn(C)c(C)c1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] Cc1nn(C)c(C)c1C(=O)N1CC[C@H]([C@@H]1C)[*:1]
CC(C)C[C@@H](C)[NH2+]CC(=O)N(C)C CC(C)[*:1] C[C@H](C[*:1])[NH2+]CC(=O)N(C)C
CC(C)C[C@@H](C)[NH2+]CC(=O)N(C)C CC(C)C[*:1] C[C@@H]([NH2+]CC(=O)N(C)C)[*:1]
CC(C)=C[C@@H]1[C@H](/C([O-])=N/S(=O)(=O)c2ccc3c(c2)OCCO3)C1(C)C CC(C)=C[*:1] CC1(C)[C@@H](/C([O-])=N/S(=O)(=O)c2ccc3OCCOc3c2)[C@H]1[*:1]
CCOc1cc(/C=C/c2nc3ccc(OC)cc3s2)ccc1OC CCO[*:1] COc1ccc2nc(/C=C/c3ccc(OC)c(c3)[*:1])sc2c1
CC[C@H](C)C(=O)NCCc1cn2c([nH+]1)CCCC2 CC[C@H](C)[*:1] O=C(NCCc1cn2CCCCc2[nH+]1)[*:1]
COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@@H]1Nn2c(nnc2-c2ccccc2)S[C@H]1C(=O)NC[*:1]
COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] COc1ccc(cc1)[C@@H]1Nn2c(nnc2-c2ccccc2)S[C@@H]1[*:1]
COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCc2ccco2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1Nn2c(nnc2[*:1])S[C@H]1C(=O)NCc1ccco1
COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCc2ccco2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccco1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1[*:1]
COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)[C@@H]1Nn2c(nnc2-c2ccccc2)S[C@H]1C(=O)N[*:1]
CCOc1ccc(N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 CCO[*:1] CN(C(=O)CCc1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
CCOc1ccc(N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)N(C)C(=O)CCc1cccc(c1)[*:1]
C[C@H]1CN(C(=O)c2csc(C#CCO)c2)[C@@H](C)CO1 OCC#C[*:1] C[C@H]1CN(C(=O)c2csc(c2)[*:1])[C@@H](C)CO1
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 Fc1cccc(c1)[*:1] Cc1cc(NC(=O)[*:1])sc1C(=O)Nc1cccc(c1)OC[C@H]1CCCO1
Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 O=C(N[*:1])c1cccc(F)c1 Cc1cc(sc1C(=O)Nc1cccc(c1)OC[C@H]1CCCO1)[*:1]
CCc1c[nH+]c(N)nc1N[C@H](C)c1nnc(C(C)C)o1 CC(C)[*:1] CCc1c[nH+]c(N)nc1N[C@H](C)c1nnc(o1)[*:1]
CC(C)CCNC(=O)[C@@H]1CC(=O)OC12CCCCC2 CC(C)C[*:1] O=C1C[C@@H](C(=O)NC[*:1])C2(CCCCC2)O1
CC(C)CCNC(=O)[C@@H]1CC(=O)OC12CCCCC2 CC(C)CC[*:1] O=C1C[C@@H](C(=O)N[*:1])C2(CCCCC2)O1
CC(C)CCNC(=O)[C@@H]1CC(=O)OC12CCCCC2 CC(C)[*:1] O=C1C[C@@H](C(=O)NCC[*:1])C2(CCCCC2)O1
Cc1cc2c(N3CC[C@@]4(CCCN(CCO)C4=O)C3)ncnc2s1 OCC[*:1] Cc1cc2c(ncnc2s1)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
O=C(NCc1ccn(C2CCCC2)n1)Nc1cncc2ccccc12 C1CCC(C1)[*:1] O=C(NCc1ccn(n1)[*:1])Nc1cncc2ccccc12
CC(C)c1nc(C(=O)N[C@H]2[C@H]3OCC[C@@H]3[C@H]2[NH3+])n[nH]1 CC(C)[*:1] [NH3+][C@@H]1[C@H]2CCO[C@@H]2[C@@H]1NC(=O)c1n[nH]c(n1)[*:1]
C=Cc1ccc(C(=O)F)cc1 O=C(F)[*:1] C=Cc1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 CCO[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 CCOc1ccc(cc1)[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1[*:1]
COc1ccc(OC)c([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)c1 CC(=O)[*:1] COc1ccc(OC)c(c1)[C@@H]1C(=C(O)C(=O)N1c1ccc(O)cc1)[*:1]
COc1ccc(OC)c([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)c1 Oc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1C(C(C)=O)=C(O)C(=O)N1[*:1]
COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1N1CCCCC1)[NH+]1CCCC1 C1CCN(CC1)[*:1] COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1N1CCCCC1)[NH+]1CCCC1 COc1ccccc1[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])Nc1ccccc1N1CCCCC1
CC1(C)S[C@H](c2ccc(Cl)cc2Cl)N[C@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)S[C@@H](N[C@@H]1[*:1])c1ccc(Cl)cc1Cl
C[C@H](Sc1ccccn1)C(=O)N[C@@H]1CCc2ccc(F)cc21 c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)N[C@@H]1CCc2ccc(F)cc21
C[C@H](Sc1ccccn1)C(=O)N[C@@H]1CCc2ccc(F)cc21 c1ccc(nc1)S[*:1] C[C@H](C(=O)N[C@@H]1CCc2ccc(F)cc21)[*:1]
O=C(Nc1nnc2n1CCCC2)c1cc(-c2cccnc2)on1 c1cncc(c1)[*:1] O=C(Nc1nnc2CCCCn21)c1cc(on1)[*:1]
COc1cc(NC(=O)N[C@@H](C)CCSC)c(OC)cc1Cl CSCC[*:1] COc1cc(NC(=O)N[C@@H](C)[*:1])c(cc1Cl)OC
COc1cc(NC(=O)N[C@@H](C)CCSC)c(OC)cc1Cl CSC[*:1] COc1cc(NC(=O)N[C@@H](C)C[*:1])c(cc1Cl)OC
COc1cc(NC(=O)N[C@@H](C)CCSC)c(OC)cc1Cl CSCC[C@H](C)[*:1] COc1cc(NC(=O)N[*:1])c(cc1Cl)OC
CC(C)[C@]1(O)CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C[C@H]1C CC(C)[*:1] C[C@@H]1CN(C[C@]1(O)[*:1])S(=O)(=O)c1ccc2NC(=O)CCc2c1
Cc1cccc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)C[NH3+])n2)n1 Cc1cccc(n1)N[*:1] Cc1cc(nc(n1)[C@H]1CCCCN1C(=O)C[NH3+])[*:1]
Cc1cccc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)C[NH3+])n2)n1 Cc1cccc(n1)[*:1] Cc1cc(nc(n1)[C@H]1CCCCN1C(=O)C[NH3+])N[*:1]
CC[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1C OCC[*:1] CC[C@H](CNc1ccc(cc1C)[N+](=O)[O-])[*:1]
CC[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] CC[C@H](CCO)CNc1ccc(cc1C)[*:1]
CC[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1C CC[C@H](CCO)[*:1] Cc1cc(ccc1NC[*:1])[N+](=O)[O-]
Cc1cccc(N2CCN(C(=O)c3c4c(nc5ccccc35)CCC4)CC2)c1C Cc1cccc(c1C)[*:1] O=C(c1c2CCCc2nc2ccccc12)N1CCN(CC1)[*:1]
Fc1nc(F)c(F)c(NCCC(F)(F)F)c1F FC(F)(F)[*:1] Fc1nc(F)c(F)c(NCC[*:1])c1F
Fc1nc(F)c(F)c(NCCC(F)(F)F)c1F FC(F)(F)C[*:1] Fc1nc(F)c(F)c(NC[*:1])c1F
Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ncccc1F)CCCO2 Fc1cccnc1[*:1] Cc1cc(Cl)c2OCCC[C@H]([NH2+]C[*:1])c2c1
O=C(C(=O)N1CCN(c2ccc(Cl)cn2)CC1)N1CCCC1 Clc1ccc(nc1)[*:1] O=C(C(=O)N1CCN(CC1)[*:1])N1CCCC1
COC(=O)[C@H]1CCN(C(=O)CCc2ccc(F)cc2F)c2ccccc21 Fc1ccc(c(F)c1)[*:1] COC(=O)[C@H]1CCN(C(=O)CC[*:1])c2ccccc21
COC(=O)[C@H]1CCN(C(=O)CCc2ccc(F)cc2F)c2ccccc21 COC(=O)[*:1] O=C(CCc1ccc(F)cc1F)N1CC[C@@H](c2ccccc21)[*:1]
O=C(Cn1nnc(-c2ccccc2F)n1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1nnc(n1)-c1ccccc1F)N[*:1]
O=C(Cn1nnc(-c2ccccc2F)n1)NC1CCCC1 Fc1ccccc1[*:1] O=C(Cn1nnc(n1)[*:1])NC1CCCC1
S=c1sc(SCc2ccccc2)nn1Cc1ccccc1 c1ccc(cc1)C[*:1] S=c1sc(nn1Cc1ccccc1)S[*:1]
S=c1sc(SCc2ccccc2)nn1Cc1ccccc1 c1ccc(cc1)C[*:1] S=c1sc(nn1[*:1])SCc1ccccc1
S=c1sc(SCc2ccccc2)nn1Cc1ccccc1 c1ccc(cc1)[*:1] S=c1sc(nn1C[*:1])SCc1ccccc1
S=c1sc(SCc2ccccc2)nn1Cc1ccccc1 c1ccc(cc1)[*:1] S=c1sc(nn1Cc1ccccc1)SC[*:1]
Cn1ccnc1[C@@H](NC(=O)[C@H]1COc2ccccc2C1)c1ccccc1 Cn1ccnc1[*:1] O=C(N[C@@H](c1ccccc1)[*:1])[C@H]1COc2ccccc2C1
Cn1ccnc1[C@@H](NC(=O)[C@H]1COc2ccccc2C1)c1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)[C@H]1COc2ccccc2C1)[*:1]
COc1ccc(-c2cc(C(=O)NNC=C3C(=O)Nc4ccc(Br)cc43)[nH]n2)cc1 COc1ccc(cc1)[*:1] O=C1Nc2ccc(Br)cc2C1=CNNC(=O)c1cc(n[nH]1)[*:1]
COC(=O)[C@@H]1CCN(c2cc(CSC)ccn2)C1 CSC[*:1] COC(=O)[C@@H]1CCN(C1)c1cc(ccn1)[*:1]
COC(=O)[C@@H]1CCN(c2cc(CSC)ccn2)C1 COC(=O)[*:1] CSCc1ccnc(c1)N1CC[C@H](C1)[*:1]
CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4ccccc4CC)c(C)c23)CC1 CCc1ccccc1[*:1] CCC[NH+]1CCN(CC1)c1ncnc2sc(C(=O)N[*:1])c(C)c12
CC(C)(CC(N)=O)C[C@@H]([NH3+])c1ccc(F)c(Br)c1 NC(=O)[*:1] CC(C)(C[C@@H]([NH3+])c1ccc(F)c(Br)c1)C[*:1]
CC(C)(CC(N)=O)C[C@@H]([NH3+])c1ccc(F)c(Br)c1 NC(=O)C[*:1] CC(C)(C[C@@H]([NH3+])c1ccc(F)c(Br)c1)[*:1]
Cc1ccccc1OCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1OCC(=O)N1C[C@H](O)C[C@@H]1[*:1]
CC1(C)OC[C@H]([C@@H]2O[C@@H](OC(=O)c3ccccc3)[C@H]3OC(C)(C)O[C@@H]32)O1 c1ccc(cc1)[*:1] CC1(C)OC[C@@H](O1)[C@@H]1O[C@@H](OC(=O)[*:1])[C@H]2OC(C)(C)O[C@@H]21
CC1(C)OC[C@H]([C@@H]2O[C@@H](OC(=O)c3ccccc3)[C@H]3OC(C)(C)O[C@@H]32)O1 CC1(C)OC[C@H](O1)[*:1] CC1(C)O[C@@H]2[C@H](OC(=O)c3ccccc3)O[C@H]([C@H]2O1)[*:1]
NS(=O)(=O)NCc1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] NS(=O)(=O)NCc1ccc(cc1)[*:1]
NS(=O)(=O)NCc1ccc(OCC(F)(F)F)cc1 NS(=O)(=O)N[*:1] FC(F)(F)COc1ccc(cc1)C[*:1]
NS(=O)(=O)NCc1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] NS(=O)(=O)NCc1ccc(cc1)O[*:1]
NS(=O)(=O)NCc1ccc(OCC(F)(F)F)cc1 NS(=O)(=O)NC[*:1] FC(F)(F)COc1ccc(cc1)[*:1]
NS(=O)(=O)NCc1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] NS(=O)(=O)NCc1ccc(cc1)OC[*:1]
CC(C)CC(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 CC(C)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)[NH+]1CCN(CC1)Cc1ccc2OCOc2c1
CC(C)CC(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 c1cc2OCOc2cc1[*:1] CC(C)CC(=O)N1CCC[C@@H](C1)[NH+]1CCN(CC1)C[*:1]
CC(C)CC(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 CC(C)C[*:1] O=C(N1CCC[C@@H](C1)[NH+]1CCN(CC1)Cc1ccc2OCOc2c1)[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)S(=O)(=O)Cc1nccn1C(F)F FC(F)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)S(=O)(=O)Cc1nccn1[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)S(=O)(=O)Cc1nccn1C(F)F FC(F)n1ccnc1[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)S(=O)(=O)C[*:1]
Cc1nnc(NCc2ccccc2OC(C)(C)C)c(C#N)c1C CC(C)(C)O[*:1] Cc1nnc(NCc2ccccc2[*:1])c(C#N)c1C
Cc1nnc(NCc2ccccc2OC(C)(C)C)c(C#N)c1C CC(C)(C)[*:1] Cc1nnc(NCc2ccccc2O[*:1])c(C#N)c1C
CC1(C)C(C(=O)NC[C@@H](C(=O)N2CCOCC2)c2ccccc2)C1(C)C c1ccc(cc1)[*:1] CC1(C)C(C(=O)NC[C@@H](C(=O)N2CCOCC2)[*:1])C1(C)C
CC1(C)C(C(=O)NC[C@@H](C(=O)N2CCOCC2)c2ccccc2)C1(C)C CC1(C)C(C1(C)C)[*:1] O=C([C@H](CNC(=O)[*:1])c1ccccc1)N1CCOCC1
CC1(C)C(C(=O)NC[C@@H](C(=O)N2CCOCC2)c2ccccc2)C1(C)C O=C(N1CCOCC1)[*:1] CC1(C)C(C(=O)NC[C@@H](c2ccccc2)[*:1])C1(C)C
CCc1nnc(NC(=O)CCn2cncn2)s1 c1ncn(n1)[*:1] CCc1nnc(NC(=O)CC[*:1])s1
Nc1ccc(-c2nnc(SCC(=O)c3sc4ccccc4c3[O-])o2)cc1 Nc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])c1sc2ccccc2c1[O-]
O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccccc1Cl O=C(C[*:1])N1CCCC1 O=C(Nc1ccc(cc1)C[*:1])c1ccccc1Cl
O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(CCc1ccc(cc1)NC(=O)[*:1])N1CCCC1
O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccccc1Cl O=C(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)CC[*:1])c1ccccc1Cl
COc1ccc(OC)c([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1NC(=O)C(C#N)=C(S)N1[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1C[C@H]1[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F c1csc(c1)C[*:1] C[C@H](N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F)[*:1]
COc1ccc(C(=O)C2CCN(C(=O)CCc3ccccc3Br)CC2)cc1 Brc1ccccc1[*:1] COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CC[*:1]
COc1ccc(C(=O)C2CCN(C(=O)CCc3ccccc3Br)CC2)cc1 Brc1ccccc1CC[*:1] COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)C2CCN(C(=O)CCc3ccccc3Br)CC2)cc1 Brc1ccccc1C[*:1] COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)C[*:1]
COc1ccc(C(=O)C2CCN(C(=O)CCc3ccccc3Br)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CCc1ccccc1Br)N1CCC(CC1)C(=O)[*:1]
Cc1cc(CS(=O)(=O)[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)no1 Cc1cc(no1)[*:1] C[C@H](C(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)C[*:1]
Cc1cc(CS(=O)(=O)[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)no1 Cc1cc(C[*:1])no1 C[C@H](C(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)[*:1]
CSCc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)ccc1F CSC[*:1] NC(=O)[C@H]1COCCN1C(=O)c1ccc(F)c(c1)[*:1]
CSCc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)ccc1F NC(=O)[*:1] CSCc1cc(ccc1F)C(=O)N1CCOC[C@H]1[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@@H](C)c2ccc(F)cc2Cl)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])c1ccc(F)cc1Cl
CCCCn1nccc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 CCC[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccnn1C[*:1]
CCCCn1nccc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 CCCC[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccnn1[*:1]
O=C(NCCOc1ccccc1F)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCCOc1ccccc1F)c1ccc(cc1)O[*:1]
O=C(NCCOc1ccccc1F)c1ccc(Oc2ccccc2)cc1 Fc1ccccc1[*:1] O=C(NCCO[*:1])c1ccc(cc1)Oc1ccccc1
O=C(NCCOc1ccccc1F)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(NCCOc1ccccc1F)c1ccc(cc1)[*:1]
O=C(NCCOc1ccccc1F)c1ccc(Oc2ccccc2)cc1 Fc1ccccc1O[*:1] O=C(NCC[*:1])c1ccc(cc1)Oc1ccccc1
C[C@H]1C[C@@H]([NH3+])CN([C@@H](C)CCc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]([NH3+])CN(C1)[C@@H](C)CC[*:1]
COCC[NH+](C)Cc1cc(C(=O)OC)sc1C COCC[*:1] COC(=O)c1cc(C[NH+](C)[*:1])c(C)s1
COCC[NH+](C)Cc1cc(C(=O)OC)sc1C COC(=O)[*:1] COCC[NH+](C)Cc1cc(sc1C)[*:1]
COCC[NH+](C)Cc1cc(C(=O)OC)sc1C COC[*:1] COC(=O)c1cc(C[NH+](C)C[*:1])c(C)s1
C[C@H](NS(=O)(=O)CCC(C)(C)C)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@H](NS(=O)(=O)CCC(C)(C)C)c1ccc(cc1)[*:1]
C[C@H](NS(=O)(=O)CCC(C)(C)C)c1ccc(-c2cccnc2)cc1 CC(C)(C)CC[*:1] C[C@H](NS(=O)(=O)[*:1])c1ccc(cc1)-c1cccnc1
C[C@H](NS(=O)(=O)CCC(C)(C)C)c1ccc(-c2cccnc2)cc1 CC(C)(C)C[*:1] C[C@H](NS(=O)(=O)C[*:1])c1ccc(cc1)-c1cccnc1
C[C@H](NS(=O)(=O)CCC(C)(C)C)c1ccc(-c2cccnc2)cc1 CC(C)(C)[*:1] C[C@H](NS(=O)(=O)CC[*:1])c1ccc(cc1)-c1cccnc1
Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3CCC[C@H](C)C3)n12 C[C@H]1CCCN(C1)C(=O)[*:1] Cc1cc(C)c2c(c1)c(C)cc1nnc(SC[*:1])n12
CC1=C(C(N)=O)[C@@H](c2ccccc2OCc2ccc(Cl)cc2Cl)n2nnnc2N1 Clc1ccc(C[*:1])c(Cl)c1 CC1Nc2nnnn2[C@@H](C=1C(N)=O)c1ccccc1O[*:1]
CC1=C(C(N)=O)[C@@H](c2ccccc2OCc2ccc(Cl)cc2Cl)n2nnnc2N1 Clc1ccc(c(Cl)c1)[*:1] CC1Nc2nnnn2[C@@H](C=1C(N)=O)c1ccccc1OC[*:1]
CC1=C(C(N)=O)[C@@H](c2ccccc2OCc2ccc(Cl)cc2Cl)n2nnnc2N1 NC(=O)[*:1] CC1Nc2nnnn2[C@@H](C=1[*:1])c1ccccc1OCc1ccc(Cl)cc1Cl
CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1C FC(F)(F)[*:1] CCn1nc(C)c(c1C)S(=O)(=O)[N-]c1ccc(nc1)[*:1]
Cc1ccc(-c2cc3cccnc3n2CCC(=O)[O-])cn1 O=C([O-])C[*:1] Cc1ccc(cn1)-c1cc2cccnc2n1C[*:1]
Cc1ccc(-c2cc3cccnc3n2CCC(=O)[O-])cn1 O=C([O-])CC[*:1] Cc1ccc(cn1)-c1cc2cccnc2n1[*:1]
Cc1ccc(-c2cc3cccnc3n2CCC(=O)[O-])cn1 O=C([O-])[*:1] Cc1ccc(cn1)-c1cc2cccnc2n1CC[*:1]
Cc1ccc(-c2cc3cccnc3n2CCC(=O)[O-])cn1 Cc1ccc(cn1)[*:1] O=C([O-])CCn1c(cc2cccnc21)[*:1]
CCCc1nc(Cn2ccc([C@H](O)CC)c2)cs1 CC[C@@H](O)[*:1] CCCc1nc(cs1)Cn1ccc(c1)[*:1]
CCCc1nc(Cn2ccc([C@H](O)CC)c2)cs1 CCC[*:1] CC[C@@H](O)c1ccn(c1)Cc1csc(n1)[*:1]
CC(C)NC(=O)C1CCN(c2nc3ncn(CC(=O)N[C@@H]4CCc5ccccc54)c(=O)c3s2)CC1 CC(C)NC(=O)[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCC(CC1)[*:1])N[C@@H]1CCc2ccccc21
CC(C)NC(=O)C1CCN(c2nc3ncn(CC(=O)N[C@@H]4CCc5ccccc54)c(=O)c3s2)CC1 CC(C)[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCC(CC1)C(=O)N[*:1])N[C@@H]1CCc2ccccc21
CCCNC(=S)NCc1ccc(F)cc1 CCC[*:1] Fc1ccc(cc1)CNC(=S)N[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC)CC2)cc1 COc1ccccc1[*:1] CC[C@H](C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC)CC2)cc1 CC[C@H](C)[*:1] COc1ccccc1C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)(NCC1(CCCCC1)N1CCOCC1)c1cccc(c1)[*:1]
O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1cccc(C(F)(F)F)c1 C1CN(CCO1)[*:1] O=S(=O)(NCC1(CCCCC1)[*:1])c1cccc(c1)C(F)(F)F
CC[C@@H](C)N(Cc1cccnc1)C(=O)c1cccc(-n2cnnc2)n1 c1nncn1[*:1] CC[C@@H](C)N(Cc1cccnc1)C(=O)c1cccc(n1)[*:1]
CC[C@@H](C)N(Cc1cccnc1)C(=O)c1cccc(-n2cnnc2)n1 CC[C@@H](C)[*:1] O=C(c1cccc(n1)-n1cnnc1)N(Cc1cccnc1)[*:1]
CC[C@@H](C)N(Cc1cccnc1)C(=O)c1cccc(-n2cnnc2)n1 c1cncc(c1)C[*:1] CC[C@@H](C)N(C(=O)c1cccc(n1)-n1cnnc1)[*:1]
CC[C@@H](C)N(Cc1cccnc1)C(=O)c1cccc(-n2cnnc2)n1 c1cncc(c1)[*:1] CC[C@@H](C)N(C[*:1])C(=O)c1cccc(n1)-n1cnnc1
O=C(NCc1ccoc1)NC[C@@H]1CCOC1 c1cc(co1)[*:1] O=C(NC[C@@H]1CCOC1)NC[*:1]
O=C(NCc1ccoc1)NC[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C(NCc1ccoc1)NC[*:1]
Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CCCCCCC2)CC1 Cc1ccccc1C[*:1] O=C(NC1CCCCCCC1)NC1CC[NH+](CC1)[*:1]
Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CCCCCCC2)CC1 C1CCCC(CCC1)[*:1] Cc1ccccc1C[NH+]1CCC(CC1)NC(=O)N[*:1]
Cc1ccccc1C[NH+]1CCC(NC(=O)NC2CCCCCCC2)CC1 Cc1ccccc1[*:1] O=C(NC1CCCCCCC1)NC1CC[NH+](CC1)C[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@H]2C[C@H]2c2cnn(C)c2)s1 Cc1ccc(s1)[*:1] Cn1cc(cn1)[C@@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@H]2C[C@H]2c2cnn(C)c2)s1 Cn1cc(cn1)[*:1] Cc1ccc(s1)S(=O)(=O)/N=C(\[O-])[C@H]1C[C@@H]1[*:1]
C[C@H](NC(=O)N[C@H]1CCC[C@@H]1CO)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H]1CCC[C@@H]1CO)c1noc(C[*:1])n1
C[C@H](NC(=O)N[C@H]1CCC[C@@H]1CO)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N[C@H]1CCC[C@@H]1CO)c1noc(n1)[*:1]
C[S@@](=O)c1ccc(CNC(=O)NC[C@H]2COc3ccccc3O2)cc1 C[S@@](=O)[*:1] O=C(NCc1ccc(cc1)[*:1])NC[C@H]1COc2ccccc2O1
CNC(=O)NC(=O)CNc1ccc(F)c(NC(C)=O)c1 CC(=O)N[*:1] CNC(=O)NC(=O)CNc1ccc(F)c(c1)[*:1]
c1ccc(Nc2cncc([C@@H]3CCCN(c4ncccn4)C3)n2)nc1 c1ccc(nc1)N[*:1] c1cnc(nc1)N1CCC[C@H](C1)c1cncc(n1)[*:1]
c1ccc(Nc2cncc([C@@H]3CCCN(c4ncccn4)C3)n2)nc1 c1ccc(nc1)[*:1] c1cnc(nc1)N1CCC[C@H](C1)c1cncc(n1)N[*:1]
c1ccc(Nc2cncc([C@@H]3CCCN(c4ncccn4)C3)n2)nc1 c1cnc(nc1)[*:1] c1ccc(nc1)Nc1cncc(n1)[C@@H]1CCCN(C1)[*:1]
COc1ccc(Br)c(C=O)c1NC(C)=O CC(=O)N[*:1] COc1ccc(Br)c(C=O)c1[*:1]
O=C(CCc1ccc(F)c(F)c1)NCCc1ccccn1 c1ccc(nc1)[*:1] O=C(CCc1ccc(F)c(F)c1)NCC[*:1]
O=C(CCc1ccc(F)c(F)c1)NCCc1ccccn1 c1ccc(C[*:1])nc1 O=C(CCc1ccc(F)c(F)c1)NC[*:1]
CCC[NH2+]Cc1ccc(C(C)(C)C)cc1 CCC[*:1] CC(C)(C)c1ccc(cc1)C[NH2+][*:1]
CCC[NH2+]Cc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCC[NH2+]Cc1ccc(cc1)[*:1]
C[C@H](CCC1CCCC1)NC(=O)NNC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CCC1CCCC1)NC(=O)NNC(=O)N[*:1]
C[C@H](CCC1CCCC1)NC(=O)NNC(=O)Nc1ccccc1 C1CCC(C1)CC[*:1] C[C@H](NC(=O)NNC(=O)Nc1ccccc1)[*:1]
C[C@H](CCC1CCCC1)NC(=O)NNC(=O)Nc1ccccc1 C1CCC(C1)[*:1] C[C@H](CC[*:1])NC(=O)NNC(=O)Nc1ccccc1
C[C@H](CCC1CCCC1)NC(=O)NNC(=O)Nc1ccccc1 C1CCC(C1)C[*:1] C[C@H](C[*:1])NC(=O)NNC(=O)Nc1ccccc1
Cc1ccccc1NC(=O)CSc1nc2nc(N3CCCC3)sc2c(=O)n1C Cc1ccccc1[*:1] Cn1c(nc2nc(sc2c1=O)N1CCCC1)SCC(=O)N[*:1]
Cc1ccccc1NC(=O)CSc1nc2nc(N3CCCC3)sc2c(=O)n1C C1CCN(C1)[*:1] Cc1ccccc1NC(=O)CSc1nc2nc(sc2c(=O)n1C)[*:1]
CN(CCCNC(=O)c1nc2ccccc2s1)C(=O)c1ccccn1 c1ccc(nc1)[*:1] CN(CCCNC(=O)c1nc2ccccc2s1)C(=O)[*:1]
COCCn1c(CNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21 COC[*:1] O=C(NCc1nc2cccnc2n1C[*:1])c1ccc2OCOc2c1
COCCn1c(CNC(=O)c2ccc3c(c2)OCO3)nc2cccnc21 COCC[*:1] O=C(NCc1nc2cccnc2n1[*:1])c1ccc2OCOc2c1
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)[*:1]
Cc1c(NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(=O)n(n1C)[*:1]
CCOC(=O)c1ccc(N(C)C[C@@H]2COc3ccccc3O2)nc1 CCOC(=O)[*:1] CN(C[C@@H]1COc2ccccc2O1)c1ccc(cn1)[*:1]
COc1cccc(Oc2c(C)oc3c4c(ccc3c2=O)OCN(C[C@H]2CCCO2)C4)c1 COc1cccc(c1)[*:1] Cc1oc2c3CN(COc3ccc2c(=O)c1O[*:1])C[C@H]1CCCO1
COc1cccc(Oc2c(C)oc3c4c(ccc3c2=O)OCN(C[C@H]2CCCO2)C4)c1 COc1cccc(c1)O[*:1] Cc1oc2c3CN(COc3ccc2c(=O)c1[*:1])C[C@H]1CCCO1
CC(=O)C1=C(C)C(C(=O)CSC2CCCC2)=N[C@@H]1C CC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)CSC1CCCC1
CC(=O)C1=C(C)C(C(=O)CSC2CCCC2)=N[C@@H]1C C1CCC(C1)[*:1] CC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)CS[*:1]
CC(=O)C1=C(C)C(C(=O)CSC2CCCC2)=N[C@@H]1C C1CCC(C1)S[*:1] CC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)C[*:1]
CC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)c1 Clc1ccc(c(Cl)c1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1cnn(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1cnn(c1)-c1ccc(Cl)cc1Cl
Cc1cccc(CNC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(nc1)NC(=O)C1CC1
Cc1cccc(CNC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1 O=C(N[*:1])C1CC1 Cc1cccc(c1)CNC(=O)C(=O)Nc1ccc(nc1)[*:1]
Cc1cccc(CNC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1 C1CC1[*:1] Cc1cccc(c1)CNC(=O)C(=O)Nc1ccc(nc1)NC(=O)[*:1]
Cc1cccc(CNC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1 Cc1cccc(c1)C[*:1] O=C(Nc1ccc(nc1)NC(=O)C1CC1)C(=O)N[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccccc2)cc1 CCO[*:1] O=C(NCC(=O)N1CCC[C@H]1c1ccc(cc1)[*:1])c1ccccc1
CCOc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H]1CCCN1C(=O)CNC(=O)[*:1]
Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2C)c(Cl)c1 Cc1ccccc1[*:1] Cc1ccc(NC(=O)CSc2nnnn2[*:1])c(Cl)c1
Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2C)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] Cc1ccccc1-n1nnnc1SCC(=O)N[*:1]
CCCCOc1ccc(NC(=O)CNC(=O)NC)c(C)c1 CCCC[*:1] CNC(=O)NCC(=O)Nc1ccc(cc1C)O[*:1]
CCCCOc1ccc(NC(=O)CNC(=O)NC)c(C)c1 CCCCO[*:1] CNC(=O)NCC(=O)Nc1ccc(cc1C)[*:1]
CCCCOc1ccc(NC(=O)CNC(=O)NC)c(C)c1 CNC(=O)NC[*:1] CCCCOc1ccc(NC(=O)[*:1])c(C)c1
CCCCOc1ccc(NC(=O)CNC(=O)NC)c(C)c1 CCC[*:1] CNC(=O)NCC(=O)Nc1ccc(cc1C)OC[*:1]
CCCCOc1ccc(NC(=O)CNC(=O)NC)c(C)c1 CNC(=O)N[*:1] CCCCOc1ccc(NC(=O)C[*:1])c(C)c1
CC1(C)CCC(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1 CC(C)(C)[*:1] CC1(C)CCC(CC1)CNC(=O)C1CCN(CC1)C(=O)[*:1]
CC1(C)CCC(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1 CC1(C)CCC(CC1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)NC[*:1]
COC[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 COC[C@@H](O)C[*:1] Cc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)N(C)[*:1]
COC[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 COC[*:1] Cc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)N(C)C[C@H](O)[*:1]
COC[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 Cc1ccc(Cl)cc1[*:1] COC[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COC[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 COC[C@@H](O)[*:1] Cc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)N(C)C[*:1]
CC[NH2+][C@@]1(CO)CCC[C@H](Oc2cccc(COC)c2)C1 COC[*:1] CC[NH2+][C@@]1(CO)CCC[C@@H](C1)Oc1cccc(c1)[*:1]
Cc1cc(C)c(C#N)c(SCc2nc([C@@H](C)OCC(C)C)no2)n1 CC(C)C[*:1] Cc1cc(C)c(C#N)c(n1)SCc1nc(no1)[C@@H](C)O[*:1]
Cc1cc(C)c(C#N)c(SCc2nc([C@@H](C)OCC(C)C)no2)n1 CC(C)CO[*:1] Cc1cc(C)c(C#N)c(n1)SCc1nc(no1)[C@@H](C)[*:1]
Cc1cc(C)c(C#N)c(SCc2nc([C@@H](C)OCC(C)C)no2)n1 CC(C)[*:1] Cc1cc(C)c(C#N)c(n1)SCc1nc(no1)[C@@H](C)OC[*:1]
Cc1cc(C)c(C#N)c(SCc2nc([C@@H](C)OCC(C)C)no2)n1 CC(C)CO[C@H](C)[*:1] Cc1cc(C)c(C#N)c(n1)SCc1nc(no1)[*:1]
CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H](C(=O)Nc3ccccc3C(F)(F)F)O[C@@H]2O1 FC(F)(F)[*:1] CC1(C)O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@H](O[C@@H]2O1)C(=O)Nc1ccccc1[*:1]
CCCCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]c1=O CCC[*:1] O=C(CSc1n[nH]c(=O)n1C[*:1])Nc1cccc(Cl)c1Cl
CCCCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]c1=O CCCC[*:1] O=C(CSc1n[nH]c(=O)n1[*:1])Nc1cccc(Cl)c1Cl
O=C(CSC1CCCC1)N1CCC(c2nc3ccccc3s2)CC1 C1CCC(C1)S[*:1] O=C(C[*:1])N1CCC(CC1)c1nc2ccccc2s1
O=C(CSC1CCCC1)N1CCC(c2nc3ccccc3s2)CC1 C1CCC(C1)SC[*:1] O=C(N1CCC(CC1)c1nc2ccccc2s1)[*:1]
O=C(CSC1CCCC1)N1CCC(c2nc3ccccc3s2)CC1 C1CCC(C1)[*:1] O=C(CS[*:1])N1CCC(CC1)c1nc2ccccc2s1
COc1ccc(Oc2cc(CNC(=O)c3ccc[n+]([O-])c3)ccn2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)O[*:1])c1ccc[n+]([O-])c1
COc1ccc(Oc2cc(CNC(=O)c3ccc[n+]([O-])c3)ccn2)cc1 [O-][n+]1cccc(c1)[*:1] COc1ccc(cc1)Oc1cc(ccn1)CNC(=O)[*:1]
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Br)n1 CCOC(=O)[*:1] CC1NC(=O)N[C@H](C=1[*:1])c1cccc(Br)n1
Cc1ccc(-c2nn3c(C(C)C)nnc3c3ccccc23)cc1S(=O)(=O)N1CCN(CCO)CC1 CC(C)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCN(CCO)CC1)-c1nn2c(nnc2c2ccccc12)[*:1]
Cc1ccc(-c2nn3c(C(C)C)nnc3c3ccccc23)cc1S(=O)(=O)N1CCN(CCO)CC1 OCC[*:1] Cc1ccc(cc1S(=O)(=O)N1CCN(CC1)[*:1])-c1nn2c(nnc2c2ccccc12)C(C)C
CC(C)(C)C(=O)CCc1ccncc1 CC(C)(C)[*:1] O=C(CCc1ccncc1)[*:1]
Clc1ccc(CNc2cccc3cccnc23)o1 Clc1ccc(o1)[*:1] c1cnc2c(cccc2c1)NC[*:1]
CC1CCN(c2ccc(CNC(=O)NCCn3cccc3)c[nH+]2)CC1 c1ccn(c1)C[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)NC[*:1]
CC1CCN(c2ccc(CNC(=O)NCCn3cccc3)c[nH+]2)CC1 c1ccn(c1)CC[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
CC1CCN(c2ccc(CNC(=O)NCCn3cccc3)c[nH+]2)CC1 c1ccn(c1)[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)NCC[*:1]
CC1CCN(c2ccc(CNC(=O)NCCn3cccc3)c[nH+]2)CC1 CC1CCN(CC1)[*:1] O=C(NCCn1cccc1)NCc1ccc([nH+]c1)[*:1]
CCC[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)[*:1]
CCC[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)[*:1]
C[C@@H](CC(=O)[O-])CC(=O)NC(=O)NC[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] C[C@@H](CC(=O)[O-])CC(=O)NC(=O)NC[*:1]
C[C@@H](CC(=O)[O-])CC(=O)NC(=O)NC[C@]1(C)CCCO1 O=C([O-])[*:1] C[C@H](CC(=O)NC(=O)NC[C@]1(C)CCCO1)C[*:1]
C[C@@H](CC(=O)[O-])CC(=O)NC(=O)NC[C@]1(C)CCCO1 C[C@@H](CC(=O)[O-])[*:1] C[C@]1(CCCO1)CNC(=O)NC(=O)C[*:1]
C[C@@H](CC(=O)[O-])CC(=O)NC(=O)NC[C@]1(C)CCCO1 O=C([O-])C[*:1] C[C@@H](CC(=O)NC(=O)NC[C@]1(C)CCCO1)[*:1]
COCCSc1ccc([C@@H](C)NC(=O)c2ccc[nH]2)cc1 COCCS[*:1] C[C@@H](NC(=O)c1ccc[nH]1)c1ccc(cc1)[*:1]
COCCSc1ccc([C@@H](C)NC(=O)c2ccc[nH]2)cc1 c1c[nH]c(c1)[*:1] COCCSc1ccc(cc1)[C@@H](C)NC(=O)[*:1]
COCCSc1ccc([C@@H](C)NC(=O)c2ccc[nH]2)cc1 COC[*:1] C[C@@H](NC(=O)c1ccc[nH]1)c1ccc(cc1)SC[*:1]
COCCSc1ccc([C@@H](C)NC(=O)c2ccc[nH]2)cc1 COCC[*:1] C[C@@H](NC(=O)c1ccc[nH]1)c1ccc(cc1)S[*:1]
OCC1CC[NH+](Cc2ccccc2NCc2ccc(Cl)o2)CC1 Clc1ccc(C[*:1])o1 OCC1CC[NH+](CC1)Cc1ccccc1N[*:1]
OCC1CC[NH+](Cc2ccccc2NCc2ccc(Cl)o2)CC1 Clc1ccc(o1)[*:1] OCC1CC[NH+](CC1)Cc1ccccc1NC[*:1]
COc1cccc(/C=C(/C(=O)O[C@H]2CCC[C@@H](C)C2)n2nnnc2C)c1 COc1cccc(c1)[*:1] Cc1nnnn1C(=C[*:1])C(=O)O[C@H]1CCC[C@@H](C)C1
COc1cccc(/C=C(/C(=O)O[C@H]2CCC[C@@H](C)C2)n2nnnc2C)c1 Cc1nnnn1[*:1] COc1cccc(C=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[*:1])c1
CCOC(=O)[C@@]1(C)CCN(C(=O)Nc2ccc3c(c2)COC3)C1 CCOC(=O)[*:1] C[C@]1(CCN(C1)C(=O)Nc1ccc2COCc2c1)[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1cc(F)cc(F)c1
CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 Fc1cc(F)cc(c1)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 CC(C)NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(F)cc(F)c1
Cc1nnc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)o1 Cc1nnc(C[*:1])o1 c1cc2OCOc2cc1C[NH+]1CCN(CC1)[*:1]
Cc1nnc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)o1 Cc1nnc(o1)[*:1] c1cc2OCOc2cc1C[NH+]1CCN(CC1)C[*:1]
Cc1n[nH]cc1CN1CCO[C@](C)(c2cnn(C)c2)C1 Cn1cc(cn1)[*:1] Cc1n[nH]cc1CN1CCO[C@](C)(C1)[*:1]
Cc1n[nH]cc1CN1CCO[C@](C)(c2cnn(C)c2)C1 Cc1n[nH]cc1[*:1] Cn1cc(cn1)[C@]1(C)CN(CCO1)C[*:1]
C=CCO/C([O-])=C1/C(C)=NC2=NC(=O)NC(=O)[C@H]2[C@H]1c1ccc(C)cc1 C=CCO[*:1] CC1=NC2=NC(=O)NC(=O)[C@H]2[C@H](C1=C([O-])[*:1])c1ccc(C)cc1
C=CCO/C([O-])=C1/C(C)=NC2=NC(=O)NC(=O)[C@H]2[C@H]1c1ccc(C)cc1 C=CC[*:1] CC1=NC2=NC(=O)NC(=O)[C@H]2[C@H](/C1=C(/[O-])O[*:1])c1ccc(C)cc1
C=CCO/C([O-])=C1/C(C)=NC2=NC(=O)NC(=O)[C@H]2[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] C=CCO/C([O-])=C1/C(C)=NC2=NC(=O)NC(=O)[C@H]2[C@@H]1[*:1]
CC(=O)c1ccc(NC(=O)/C=C/c2c(C)nn(C)c2Cl)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)/C=C/c1c(C)nn(C)c1Cl
CC(=O)S[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](CC[C@]34CCC(=O)O4)[C@H]12 CC(=O)S[*:1] C[C@]12CCC(=O)C=C1C[C@@H]([C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]21CCC(=O)O1)[*:1]
CC[NH2+][C@@H](CCS(C)(=O)=O)C1([NH+](C)C)CCCCCC1 CS(=O)(=O)[*:1] CC[NH2+][C@@H](CC[*:1])C1(CCCCCC1)[NH+](C)C
CC[NH2+][C@@H](CCS(C)(=O)=O)C1([NH+](C)C)CCCCCC1 CS(=O)(=O)C[*:1] CC[NH2+][C@@H](C[*:1])C1(CCCCCC1)[NH+](C)C
CC[NH2+][C@@H](CCS(C)(=O)=O)C1([NH+](C)C)CCCCCC1 CS(=O)(=O)CC[*:1] CC[NH2+][C@@H](C1(CCCCCC1)[NH+](C)C)[*:1]
C[C@@H](NC(=O)CCCN1C(=O)CNC1=O)c1cc2ccccc2o1 O=C1CNC(=O)N1C[*:1] C[C@@H](NC(=O)CC[*:1])c1cc2ccccc2o1
C[C@@H](NC(=O)CCCN1C(=O)CNC1=O)c1cc2ccccc2o1 O=C1CNC(=O)N1[*:1] C[C@@H](NC(=O)CCC[*:1])c1cc2ccccc2o1
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nn(Cc2ccccc2F)cc1Br Fc1ccccc1C[*:1] O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nn(cc1Br)[*:1]
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nn(Cc2ccccc2F)cc1Br Fc1ccccc1[*:1] O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nn(cc1Br)C[*:1]
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nn(Cc2ccccc2F)cc1Br O=C([O-])[*:1] O=C(Nc1nn(cc1Br)Cc1ccccc1F)[C@H]1CC=CC[C@@H]1[*:1]
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(=O)n(C)n2)o1 Cn1nc(ccc1=O)[*:1] CCc1ccc(o1)[C@@H]1C[C@@H](C)CCN1C(=O)[*:1]
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(=O)n(C)n2)o1 CCc1ccc(o1)[*:1] C[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@@H](C1)[*:1]
CCCC(=CC(=O)Nn1cnc2sc(C)c(C)c2c1=O)CCC CCC[*:1] CCCC(=CC(=O)Nn1cnc2sc(C)c(C)c2c1=O)[*:1]
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2OCC(=O)[O-])cc1F O=C([O-])CO[*:1] Cc1ccc(cc1F)C(=O)/C(C#N)=C/c1ccccc1[*:1]
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2OCC(=O)[O-])cc1F O=C([O-])C[*:1] Cc1ccc(cc1F)C(=O)/C(C#N)=C/c1ccccc1O[*:1]
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2OCC(=O)[O-])cc1F O=C([O-])[*:1] Cc1ccc(cc1F)C(=O)/C(C#N)=C/c1ccccc1OC[*:1]
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2OCC(=O)[O-])cc1F Cc1ccc(cc1F)[*:1] N#C/C(=C\c1ccccc1OCC(=O)[O-])C(=O)[*:1]
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=[NH+]/CCN1CCN(C(=O)c2cccc(F)c2)CC1 O=[N+]([O-])[*:1] Cc1nn(-c2ccc(cc2)[*:1])c(O)c1/C=[NH+]/CCN1CCN(CC1)C(=O)c1cccc(F)c1
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=[NH+]/CCN1CCN(C(=O)c2cccc(F)c2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1nn(c(O)c1/C=[NH+]/CCN1CCN(CC1)C(=O)c1cccc(F)c1)[*:1]
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=[NH+]/CCN1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] Cc1nn(-c2ccc(cc2)[N+](=O)[O-])c(O)c1/C=[NH+]/CCN1CCN(CC1)C(=O)[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)Nc2ccccc2)C1 O=C(C[*:1])Nc1ccccc1 C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)N[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)Nc2ccccc2)C1 O=C(Nc1ccccc1)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C[*:1]
O=C(c1ccc(I)cc1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(I)cc1)N1CCN(CC1)[*:1]
O=C(c1ccc(I)cc1)N1CCN(Cc2ccccc2)CC1 Ic1ccc(cc1)[*:1] O=C(N1CCN(CC1)Cc1ccccc1)[*:1]
O=C(c1ccc(I)cc1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(I)cc1)N1CCN(CC1)C[*:1]
CC(C)Oc1cccc(C[NH+](C)Cc2ccc(C#N)o2)c1 CC(C)[*:1] C[NH+](Cc1cccc(c1)O[*:1])Cc1ccc(C#N)o1
CC(C)Oc1cccc(C[NH+](C)Cc2ccc(C#N)o2)c1 N#Cc1ccc(o1)[*:1] CC(C)Oc1cccc(c1)C[NH+](C)C[*:1]
CC(C)Oc1cccc(C[NH+](C)Cc2ccc(C#N)o2)c1 CC(C)O[*:1] C[NH+](Cc1cccc(c1)[*:1])Cc1ccc(C#N)o1
CCCC1=C2[C@H](N=N1)OC(N)=C(C#N)[C@@H]2c1ccccc1 c1ccc(cc1)[*:1] CCCC1N=N[C@@H]2OC(N)=C(C#N)[C@H](C=12)[*:1]
CCCC1=C2[C@H](N=N1)OC(N)=C(C#N)[C@@H]2c1ccccc1 CCC[*:1] N#CC1=C(N)O[C@H]2N=NC(=C2[C@H]1c1ccccc1)[*:1]
Cc1c(Cl)ccc2sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)nc12 O=[N+]([O-])[*:1] Cc1c(Cl)ccc2sc(nc12)NC(=O)/C=C/c1ccc(s1)[*:1]
Cc1c(Cl)ccc2sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)nc12 O=[N+]([O-])c1ccc(s1)[*:1] Cc1c(Cl)ccc2sc(nc12)NC(=O)C=C[*:1]
O=C(CSc1cc(-c2ccccc2)ncn1)N1CCCC1 O=C(N1CCCC1)[*:1] c1ccc(cc1)-c1cc(ncn1)SC[*:1]
O=C(CSc1cc(-c2ccccc2)ncn1)N1CCCC1 c1ccc(cc1)[*:1] O=C(CSc1cc(ncn1)[*:1])N1CCCC1
C[C@@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)O[*:1]
C[C@@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H](C)[*:1]
C[C@@H](CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@H](C)NC(=O)N[*:1])Oc1ccccc1
Cc1ccc(-c2noc(C[NH+](CCO)C(C)C)n2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1noc(C[NH+](CCO)[*:1])n1
COc1ccc2[nH]cc(C(=O)CNc3nc(C)cs3)c2c1 Cc1csc(n1)N[*:1] COc1ccc2[nH]cc(C(=O)C[*:1])c2c1
COc1ccc2[nH]cc(C(=O)CNc3nc(C)cs3)c2c1 Cc1csc(n1)[*:1] COc1ccc2[nH]cc(C(=O)CN[*:1])c2c1
CSC[C@@H](C)C(=O)Nc1ccc(Nc2ccccc2)nc1 c1ccc(cc1)[*:1] CSC[C@@H](C)C(=O)Nc1ccc(nc1)N[*:1]
CSC[C@@H](C)C(=O)Nc1ccc(Nc2ccccc2)nc1 c1ccc(cc1)N[*:1] CSC[C@@H](C)C(=O)Nc1ccc(nc1)[*:1]
CSC[C@@H](C)C(=O)Nc1ccc(Nc2ccccc2)nc1 CSC[*:1] C[C@@H](C(=O)Nc1ccc(nc1)Nc1ccccc1)[*:1]
Cc1ccc(OCC(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] Cn1nc(C2CCN(CC2)C(=O)CO[*:1])n(-c2ccccc2)c1=O
Cc1ccc(OCC(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1 Cc1ccc(cc1)O[*:1] Cn1nc(C2CCN(CC2)C(=O)C[*:1])n(-c2ccccc2)c1=O
Cc1ccc(OCC(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OCC(=O)N1CCC(CC1)c1nn(C)c(=O)n1[*:1]
Cc1ccc(OCC(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1 Cc1ccc(cc1)OC[*:1] Cn1nc(C2CCN(CC2)C(=O)[*:1])n(-c2ccccc2)c1=O
Cc1cc(=O)n(C)cc1NC(=O)[C@H](C)OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1cc(=O)n(C)cc1NC(=O)[C@H](C)OC[*:1]
Cc1cc(=O)n(C)cc1NC(=O)[C@H](C)OC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1cc(=O)n(C)cc1NC(=O)[C@H](C)O[*:1]
Cc1cc(=O)n(C)cc1NC(=O)[C@H](C)OC[C@H]1CCCO1 C1CO[C@H](C1)CO[*:1] Cc1cc(=O)n(C)cc1NC(=O)[C@H](C)[*:1]
COc1cccc(/C(C)=C/C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] COc1cccc(c1)/C(C)=C/C(=O)N(C1CC1)[C@@H](C)C[*:1]
COc1cccc(/C(C)=C/C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c1 COc1cccc(c1)[*:1] CC(=CC(=O)N(C1CC1)[C@@H](C)CS(C)(=O)=O)[*:1]
COc1cccc(/C(C)=C/C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] COc1cccc(c1)/C(C)=C/C(=O)N(C1CC1)[C@@H](C)[*:1]
COc1cccc(/C(C)=C/C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c1 C1CC1[*:1] COc1cccc(c1)/C(C)=C/C(=O)N([C@@H](C)CS(C)(=O)=O)[*:1]
Cn1c(=O)c(C(=O)Nc2ccc3c(c2)OCCO3)nn(-c2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] Cn1c(=O)c(nn(c1=O)[*:1])C(=O)Nc1ccc2OCCOc2c1
Cc1ccc2nc(SCc3cc(C)no3)n(C)c(=O)c2c1 Cc1cc(on1)[*:1] Cc1ccc2nc(SC[*:1])n(C)c(=O)c2c1
Cc1ccc2nc(SCc3cc(C)no3)n(C)c(=O)c2c1 Cc1cc(C[*:1])on1 Cc1ccc2nc(S[*:1])n(C)c(=O)c2c1
Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cnccn3)CC2)n1 c1cnc(cn1)[*:1] Cc1ncc(-c2ccncc2)c(n1)C1CCN(CC1)C(=O)[*:1]
Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cnccn3)CC2)n1 c1cc(ccn1)[*:1] Cc1ncc(c(n1)C1CCN(CC1)C(=O)c1cnccn1)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)cc1 Fc1cccc(F)c1[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)OCC(=O)N[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(cc1)S(=O)(=O)N[*:1])Nc1c(F)cccc1F
O=c1ccc2cc3c(-c4ccc(F)cc4)coc3cc2o1 Fc1ccc(cc1)[*:1] O=c1ccc2cc3c(coc3cc2o1)[*:1]
O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)N1CCC[C@H](CCO)C1 Fc1cccc(F)c1[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])N1CCC[C@H](CCO)C1
O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)N1CCC[C@H](CCO)C1 OCC[*:1] O=C(N[C@H]1CCN(C1=O)c1c(F)cccc1F)N1CCC[C@H](C1)[*:1]
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 O=C(N1CCCC1)[*:1] Cc1cc(ccc1NC(=O)C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
C[C@H]1CCC[C@@H](NC(=O)CS(=O)(=O)c2ccc(O)cc2)[C@@H]1C Oc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](NC(=O)CS(=O)(=O)[*:1])[C@@H]1C
CS(=O)(=O)c1ccc(CBr)c(Cl)c1 CS(=O)(=O)[*:1] Clc1cc(ccc1CBr)[*:1]
C=CCOc1cccc([C@@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)c1 CCS[*:1] C=CCOc1cccc(c1)[C@@H]1Nc2ccccc2-c2nnc(nc2O1)[*:1]
C=CCOc1cccc([C@@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)c1 C=CCO[*:1] CCSc1nnc2-c3ccccc3N[C@H](Oc2n1)c1cccc(c1)[*:1]
C=CCOc1cccc([C@@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)c1 C=CC[*:1] CCSc1nnc2-c3ccccc3N[C@H](Oc2n1)c1cccc(c1)O[*:1]
CC[NH2+][C@H](c1cccc(C)c1)[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] CC[NH2+][C@H](c1cccc(C)c1)[C@@H](C)[*:1]
CC(C)Oc1ccc(C(=O)N2CCOc3ccccc3C2)cn1 CC(C)[*:1] O=C(c1ccc(nc1)O[*:1])N1CCOc2ccccc2C1
CC(C)Oc1ccc(C(=O)N2CCOc3ccccc3C2)cn1 CC(C)O[*:1] O=C(c1ccc(nc1)[*:1])N1CCOc2ccccc2C1
O=C(NC1CCCCC1)C1CCN(C(=O)c2cc3cc(Cl)cnc3[nH]2)CC1 C1CCC(CC1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cc2cc(Cl)cnc2[nH]1
O=C(NC1CCCCC1)C1CCN(C(=O)c2cc3cc(Cl)cnc3[nH]2)CC1 O=C(NC1CCCCC1)[*:1] O=C(c1cc2cc(Cl)cnc2[nH]1)N1CCC(CC1)[*:1]
O=C(Nc1cc(Cl)ccc1F)N1CCCC[C@H]1c1nnc2n1CCCC2 Fc1ccc(Cl)cc1[*:1] O=C(N[*:1])N1CCCC[C@H]1c1nnc2CCCCn21
CCCOc1cccc(NCc2ccc(Cl)s2)c1 CCCO[*:1] Clc1ccc(CNc2cccc(c2)[*:1])s1
CCCOc1cccc(NCc2ccc(Cl)s2)c1 CCC[*:1] Clc1ccc(CNc2cccc(c2)O[*:1])s1
CCCOc1cccc(NCc2ccc(Cl)s2)c1 Clc1ccc(s1)[*:1] CCCOc1cccc(c1)NC[*:1]
CCC[NH+]1CCCN(C(=O)Nc2ccc(Br)nc2C)CC1 CCC[*:1] Cc1nc(Br)ccc1NC(=O)N1CCC[NH+](CC1)[*:1]
COC(=O)c1ccc(C[NH+](CC(=O)[O-])C(C)(C)C)cc1 CC(C)(C)[*:1] COC(=O)c1ccc(cc1)C[NH+](CC(=O)[O-])[*:1]
COC(=O)c1ccc(C[NH+](CC(=O)[O-])C(C)(C)C)cc1 COC(=O)[*:1] CC(C)(C)[NH+](CC(=O)[O-])Cc1ccc(cc1)[*:1]
COC(=O)c1ccc(C[NH+](CC(=O)[O-])C(C)(C)C)cc1 O=C([O-])[*:1] COC(=O)c1ccc(cc1)C[NH+](C[*:1])C(C)(C)C
Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)cc1F Cc1ccc(cc1F)[*:1] O=C(NC[C@H](c1cccnc1)N1CCN(CC1)c1ccccc1F)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)cc1F Fc1ccccc1[*:1] Cc1ccc(cc1F)NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCN(c3ccccc3F)CC2)cc1F c1cncc(c1)[*:1] Cc1ccc(cc1F)NC(=O)C(=O)NC[C@H](N1CCN(CC1)c1ccccc1F)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1-n1cnnn1 c1nnnn1[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C
COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)NCc1ccco1 c1coc(c1)C[*:1] COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)NCc1ccco1 c1coc(c1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)NC[*:1]
C[C@H](Cc1nnc(SCc2cc3c(cc2Br)OCCO3)o1)c1ccccc1 C[C@H](c1ccccc1)[*:1] Brc1cc2OCCOc2cc1CSc1nnc(C[*:1])o1
C[C@H](Cc1nnc(SCc2cc3c(cc2Br)OCCO3)o1)c1ccccc1 C[C@H](C[*:1])c1ccccc1 Brc1cc2OCCOc2cc1CSc1nnc(o1)[*:1]
C[C@H](Cc1nnc(SCc2cc3c(cc2Br)OCCO3)o1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cc1nnc(o1)SCc1cc2OCCOc2cc1Br)[*:1]
O=C([C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C([C@@H]1CCCN(C1)c1ccc(nn1)-c1ccccc1)N1CCN(CC1)C[*:1]
O=C([C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCN(C1)c1ccc(nn1)-c1ccccc1)N1CCN(CC1)CC[*:1]
O=C([C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C([C@@H]1CCCN(C1)c1ccc(nn1)-c1ccccc1)N1CCN(CC1)[*:1]
O=C([C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCN(C1)c1ccc(nn1)[*:1])N1CCN(CCc2ccccc2)CC1
O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(CC1)[*:1]
O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(CC1)c1cccc(c1)[*:1]
O=C(NCCCN1CCOCC1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])[C@@H]1CC(=O)N(C1)c1n[nH]c2cc(Br)ccc12
O=C(NCCCN1CCOCC1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 C1CN(CCO1)CC[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(C1)c1n[nH]c2cc(Br)ccc12
O=C(NCCCN1CCOCC1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])[C@@H]1CC(=O)N(C1)c1n[nH]c2cc(Br)ccc12
O=C(NCCCN1CCOCC1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 C(CN1CCOCC1)C[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1n[nH]c2cc(Br)ccc12
CC(=O)N1CCC[C@@H](c2ccc(N3CCOCC3)cn2)C1 C1CN(CCO1)[*:1] CC(=O)N1CCC[C@H](C1)c1ccc(cn1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc4cccnc34)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=S(=O)(N1CCN(CC1)Cc1cccc2cccnc12)[*:1]
CC[C@H](CC#N)Nc1c(F)cccc1F N#CC[*:1] CC[C@H](Nc1c(F)cccc1F)[*:1]
C#CCN1CCC([NH2+][C@@H](C)c2c(C)noc2C)CC1 C#CC[*:1] Cc1noc(C)c1[C@H](C)[NH2+]C1CCN(CC1)[*:1]
C[C@@H](C(=O)N(Cc1cccs1)Cc1cccs1)n1cccn1 c1csc(c1)C[*:1] C[C@@H](C(=O)N(Cc1cccs1)[*:1])n1cccn1
C[C@@H](C(=O)N(Cc1cccs1)Cc1cccs1)n1cccn1 c1csc(c1)[*:1] C[C@@H](C(=O)N(Cc1cccs1)C[*:1])n1cccn1
C[C@@H](C(=O)N(Cc1cccs1)Cc1cccs1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N(Cc1cccs1)Cc1cccs1)[*:1]
Clc1cc2c(c(C[n+]3ccccc3)c1)OCOC2 c1cc[n+](cc1)[*:1] Clc1cc2COCOc2c(c1)C[*:1]
Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 c1cc2OCOc2cc1C[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3ccc4OCOc4c3)Oc21)[*:1]
Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 c1cc2OCOc2cc1[*:1] Cc1c2OCN(Cc3ccc4OCOc4c3)Cc2cc2C(=O)C(=C[*:1])Oc21
Cc1c2c(cc3c1O/C(=C\c1ccc4c(c1)OCO4)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 c1cc2OCOc2cc1[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3ccc4OCOc4c3)Oc21)C[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1sccc1C CC[C@H](C)NC(=O)[*:1] Cc1ccsc1C(=O)NNC(=O)N[C@@H](C)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1sccc1C Cc1ccsc1[*:1] CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1sccc1C CC[C@H](C)[*:1] Cc1ccsc1C(=O)NNC(=O)N[C@@H](C)C(=O)N[*:1]
COCc1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2ccc(Cl)cc2)n1 O=C([O-])[*:1] COCc1cc(nc(n1)-c1ccc(Cl)cc1)N1CCCC[C@@H]1[*:1]
COCc1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] COCc1cc(nc(n1)[*:1])N1CCCC[C@H]1C(=O)[O-]
COCc1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2ccc(Cl)cc2)n1 COC[*:1] O=C([O-])[C@@H]1CCCCN1c1cc(nc(n1)-c1ccc(Cl)cc1)[*:1]
Cc1ccc(-c2nc(NC(=O)c3cccc[n+]3[O-])sc2C)cc1 Cc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1cccc[n+]1[O-]
Cc1ccc(-c2nc(NC(=O)c3cccc[n+]3[O-])sc2C)cc1 [O-][n+]1ccccc1[*:1] Cc1ccc(cc1)-c1nc(NC(=O)[*:1])sc1C
CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1 CCC[*:1] CN1C(=O)C[C@@H](S/C1=N\c1ccccc1)C(=O)Nc1ccc(cc1)O[*:1]
CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1 c1ccc(cc1)[*:1] CCCOc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C)C(=N[*:1])S1
CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1 CCCO[*:1] CN1C(=O)C[C@@H](S/C1=N\c1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCCNc2ncccc2C(F)(F)F)C1 FC(F)(F)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCCNc1ncccc1[*:1]
CN1N/C(=C\C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1=O C1CC1[*:1] CN1N/C(=C\C(=O)N[C@H](c2cccc(c2)C(F)(F)F)[*:1])CC1=O
CN1N/C(=C\C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1=O FC(F)(F)[*:1] CN1N/C(=C\C(=O)N[C@H](c2cccc(c2)[*:1])C2CC2)CC1=O
COc1cc(C=O)ccc1OC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 c1ccc(cc1)[*:1] COc1cc(C=O)ccc1OC(=O)c1cc2c(C)nn(c2s1)[*:1]
O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OC(=O)C3CC3)ccc21 O=C(O[*:1])C1CC1 O=C1/C(=C/c2cccc(Br)c2)Oc2cc(ccc21)[*:1]
O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OC(=O)C3CC3)ccc21 C1CC1[*:1] O=C1/C(=C/c2cccc(Br)c2)Oc2cc(ccc21)OC(=O)[*:1]
O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OC(=O)C3CC3)ccc21 Brc1cccc(c1)[*:1] O=C1C(=C[*:1])Oc2cc(ccc21)OC(=O)C1CC1
Cc1n[nH]cc1CNC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 Cc1n[nH]cc1C[*:1] CN(C)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1n[nH]cc1CNC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 Cc1n[nH]cc1[*:1] CN(C)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CCN(CC)C(=O)CCNC(=O)Cn1ccc2ccccc2c1=O CCN(CC)C(=O)C[*:1] O=C(Cn1ccc2ccccc2c1=O)NC[*:1]
CCN(CC)C(=O)CCNC(=O)Cn1ccc2ccccc2c1=O CCN(CC)C(=O)[*:1] O=C(Cn1ccc2ccccc2c1=O)NCC[*:1]
Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)N1CCC[C@@H]1C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)[C@H]1CCCN1C(=O)N[*:1]
O=C1CN(C(=O)Cn2nc(-c3cccs3)oc2=O)c2ccccc2N1 c1csc(c1)[*:1] O=C1CN(C(=O)Cn2nc(oc2=O)[*:1])c2ccccc2N1
COc1cccc(CN(C)C(=O)NCc2nnc3n2CCC3)c1OC C1Cc2nnc(n2C1)[*:1] COc1cccc(CN(C)C(=O)NC[*:1])c1OC
O=C(CNS(=O)(=O)CCC1CC1)Nc1cccnc1 C1CC1[*:1] O=C(CNS(=O)(=O)CC[*:1])Nc1cccnc1
O=C(CNS(=O)(=O)CCC1CC1)Nc1cccnc1 C1CC1CC[*:1] O=C(CNS(=O)(=O)[*:1])Nc1cccnc1
O=C(CNS(=O)(=O)CCC1CC1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(CNS(=O)(=O)CCC1CC1)N[*:1]
O=C(CNS(=O)(=O)CCC1CC1)Nc1cccnc1 C1CC1C[*:1] O=C(CNS(=O)(=O)C[*:1])Nc1cccnc1
O=C(CSc1nnc(CCc2nc3ccccc3s2)o1)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(CSc1nnc(CCc2nc3ccccc3s2)o1)N[*:1]
O=C(CSc1nnc(CCc2nc3ccccc3s2)o1)Nc1cccc(Br)c1 c1ccc2sc(nc2c1)[*:1] O=C(CSc1nnc(CC[*:1])o1)Nc1cccc(Br)c1
CCC[C@@H]1CCc2nc(NC(=O)CN3C(=O)NC(=O)C3(C)C)sc2C1 CCC[*:1] CC1(C)C(=O)NC(=O)N1CC(=O)Nc1nc2CC[C@H](Cc2s1)[*:1]
COC(=O)c1cc(NC(=O)[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cc(cc(c1)[*:1])NC(=O)[C@H](C)[NH+](C)C
COC(=O)c1cc(NC(=O)[C@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 COC(=O)[*:1] C[C@@H](C(=O)Nc1cc(cc(c1)[*:1])[N+](=O)[O-])[NH+](C)C
CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(NCc1ccco1)[C@@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 O=C(NCc1ccco1)[*:1] CC(=O)Nc1ccc(cc1)N1C[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C1=O)[*:1]
CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 CC(=O)N[*:1] O=C(NCc1ccco1)[C@@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 c1coc(c1)[*:1] CC(=O)Nc1ccc(cc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NC[*:1])[C@@H]3C1=O
CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 c1coc(c1)C[*:1] CC(=O)Nc1ccc(cc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N[*:1])[C@@H]3C1=O
C[C@@H](C(=O)NCc1cccnc1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O O=C(NCc1cccnc1)[*:1] C[C@@H]([C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O)[*:1]
C[C@@H](C(=O)NCc1cccnc1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O Fc1ccc(c(Cl)c1)[*:1] C[C@@H](C(=O)NCc1cccnc1)[C@H]1Sc2ccccc2N(C[*:1])C1=O
C[C@@H](C(=O)NCc1cccnc1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O c1cncc(c1)C[*:1] C[C@@H](C(=O)N[*:1])[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O
C[C@@H](C(=O)NCc1cccnc1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O Fc1ccc(C[*:1])c(Cl)c1 C[C@@H](C(=O)NCc1cccnc1)[C@H]1Sc2ccccc2N(C1=O)[*:1]
C[C@@H](C(=O)NCc1cccnc1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O c1cncc(c1)[*:1] C[C@@H](C(=O)NC[*:1])[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O
C[NH2+][C@]1(C(N)=O)CC[C@H](n2nc(C)c(Br)c2C)C1 NC(=O)[*:1] C[NH2+][C@@]1(CC[C@@H](C1)n1nc(C)c(Br)c1C)[*:1]
[NH3+]CCc1ccc(OC[C@H]2CSc3ccccc32)c(Cl)c1 [NH3+]CC[*:1] Clc1cc(ccc1OC[C@H]1CSc2ccccc21)[*:1]
CNC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1 CNC(=O)[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1ccccc1Br
CNC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1 Brc1ccccc1[*:1] CNC(=O)c1ccc(cc1)NC(=S)NC(=O)[*:1]
C[C@@H]1CCN(C(=O)CSCC(F)(F)F)[C@H]2CCCC[C@@H]21 FC(F)(F)[*:1] C[C@@H]1CCN(C(=O)CSC[*:1])[C@H]2CCCC[C@@H]21
C[C@@H]1CCN(C(=O)CSCC(F)(F)F)[C@H]2CCCC[C@@H]21 FC(F)(F)CS[*:1] C[C@@H]1CCN(C(=O)C[*:1])[C@H]2CCCC[C@@H]21
C[C@@H]1CCN(C(=O)CSCC(F)(F)F)[C@H]2CCCC[C@@H]21 FC(F)(F)C[*:1] C[C@@H]1CCN(C(=O)CS[*:1])[C@H]2CCCC[C@@H]21
CC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 O=C1CCCN1[*:1] CC(=O)N1CCN(CC1)[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
O=C(CSCc1ccc(F)cc1Cl)Nn1c(=S)[nH]c2sc3c(c2c1=O)CCC3 Fc1ccc(C[*:1])c(Cl)c1 O=C(CS[*:1])Nn1c(=S)[nH]c2sc3CCCc3c2c1=O
O=C(CSCc1ccc(F)cc1Cl)Nn1c(=S)[nH]c2sc3c(c2c1=O)CCC3 Fc1ccc(c(Cl)c1)[*:1] O=C(CSC[*:1])Nn1c(=S)[nH]c2sc3CCCc3c2c1=O
CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ncc(-c2ccccc2)o1 CCS[*:1] O=C(NCc1ncc(o1)-c1ccccc1)N[C@@H]1CCCC[C@H]1[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ncc(o1)[*:1]
Cc1nc(-c2cccc(C(=O)Nc3ccn(CC[NH+](C)C)n3)c2)cs1 Cc1nc(cs1)[*:1] C[NH+](C)CCn1ccc(n1)NC(=O)c1cccc(c1)[*:1]
O=C(NC1CCN(c2cccc[nH+]2)CC1)C1(c2ccc(Br)cc2)CCC1 Brc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)c1cccc[nH+]1)C1(CCC1)[*:1]
COCCn1nc(C)c(CNC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2
COCCn1nc(C)c(CNC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)c1C COCC[*:1] Cc1nn(c(C)c1CNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)[*:1]
C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccccc1[*:1]
C[C@@H](NC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1CCN(CC1)C(=O)[*:1])c1ccccc1
C[C@@H](NC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1CCN(CC1)C(=O)c1ccccc1)[*:1]
C[C@@H](NC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(CN1CCN(CC1)C(=O)c1ccccc1)N[*:1]
CCn1cc[nH+]c1CN1CCN(C(=O)c2ccc(-c3cnco3)cc2)C[C@H]1C c1ncc(o1)[*:1] CCn1cc[nH+]c1CN1CCN(C[C@H]1C)C(=O)c1ccc(cc1)[*:1]
CCCC(=O)N1CCC(C(=O)N[C@H]2C[C@](C)(OC)C2(C)C)CC1 CCC[*:1] CO[C@@]1(C)C[C@H](NC(=O)C2CCN(CC2)C(=O)[*:1])C1(C)C
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(Cl)c1OC C1CCC(CC1)[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])cc(Cl)c1OC
Cc1cc(Cl)ncc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(Cl)ncc1NC(=O)NCCc1cccc(c1)[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)CCC2=c3ccccc3=[NH+]C2)cc1 NS(=O)(=O)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)NCCc1ccc(cc1)[*:1]
C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])c1ccc(cc1)CNS(=O)(=O)c1ccc(Br)cc1
C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)CNS(=O)(=O)c1ccc(Br)cc1)[*:1]
C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1 Brc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)CNS(=O)(=O)[*:1])c1ccccc1
COc1c(Cl)cc(Cl)cc1C[NH2+]CC(C)(C)NS(C)(=O)=O CS(=O)(=O)N[*:1] COc1c(Cl)cc(Cl)cc1C[NH2+]CC(C)(C)[*:1]
CCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1O CCO[*:1] O=C(CN1C(=O)N/C(=C\c2ccc(O)c(c2)[*:1])C1=O)Nc1ccc(Cl)cc1
CCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1O Clc1ccc(cc1)[*:1] CCOc1cc(/C=C2\NC(=O)N(CC(=O)N[*:1])C2=O)ccc1O
Cc1nonc1OCCNc1nc(-c2cccnc2)nc2c1C[NH2+]C2 c1cncc(c1)[*:1] Cc1nonc1OCCNc1nc(nc2C[NH2+]Cc21)[*:1]
Cc1nonc1OCCNc1nc(-c2cccnc2)nc2c1C[NH2+]C2 Cc1nonc1OC[*:1] c1cncc(c1)-c1nc2C[NH2+]Cc2c(n1)NC[*:1]
Cc1nonc1OCCNc1nc(-c2cccnc2)nc2c1C[NH2+]C2 Cc1nonc1O[*:1] c1cncc(c1)-c1nc2C[NH2+]Cc2c(n1)NCC[*:1]
Cc1nonc1OCCNc1nc(-c2cccnc2)nc2c1C[NH2+]C2 Cc1nonc1[*:1] c1cncc(c1)-c1nc2C[NH2+]Cc2c(n1)NCCO[*:1]
O=[N+]([O-])c1ccc(Sc2nnc(C3CC3)n2C2CC2)c(Cl)c1 C1CC1[*:1] O=[N+]([O-])c1ccc(Sc2nnc(n2C2CC2)[*:1])c(Cl)c1
O=[N+]([O-])c1ccc(Sc2nnc(C3CC3)n2C2CC2)c(Cl)c1 O=[N+]([O-])[*:1] Clc1cc(ccc1Sc1nnc(C2CC2)n1C1CC1)[*:1]
O=[N+]([O-])c1ccc(Sc2nnc(C3CC3)n2C2CC2)c(Cl)c1 C1CC1[*:1] O=[N+]([O-])c1ccc(Sc2nnc(C3CC3)n2[*:1])c(Cl)c1
COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)O[*:1] COc1ccc(cc1)-c1noc(CNC(=O)[C@@H](C)[*:1])n1
COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc(CNC(=O)[C@@H](C)O[*:1])n1
COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C)cc3)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)NCc1nc(no1)[*:1]
N#C/C(=C\c1cccc2[nH]ccc12)C(=O)NCc1cccnc1 c1cncc(c1)[*:1] N#C/C(=C\c1cccc2[nH]ccc12)C(=O)NC[*:1]
N#C/C(=C\c1cccc2[nH]ccc12)C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] N#C/C(=C\c1cccc2[nH]ccc12)C(=O)N[*:1]
C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)N1CCCC1=O)[*:1]
C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccsc1 O=C1CCCN1[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])c1ccsc1
CC(C)CCCNC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CC(C)CCCNC(=O)NC1CCN(CC1)C(=O)[*:1]
CC(C)CCCNC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 CC(C)[*:1] O=C(NCCC[*:1])NC1CCN(CC1)C(=O)c1ccccc1F
CC(C)CCCNC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 CC(C)CC[*:1] O=C(NC[*:1])NC1CCN(CC1)C(=O)c1ccccc1F
CC(C)CCCNC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 CC(C)C[*:1] O=C(NCC[*:1])NC1CCN(CC1)C(=O)c1ccccc1F
CC(C)CCCNC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 CC(C)CCC[*:1] O=C(NC1CCN(CC1)C(=O)c1ccccc1F)N[*:1]
N#C/C(=C\c1cccc2c1OCO2)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] N#C/C(=C\c1cccc2OCOc12)C(=O)N[*:1]
CCN1C[C@@H](CN(C)Cc2nnnn2C2CC2)Oc2ccccc21 C1CC1[*:1] CCN1C[C@@H](CN(C)Cc2nnnn2[*:1])Oc2ccccc21
CCN1C[C@@H](CN(C)Cc2nnnn2C2CC2)Oc2ccccc21 C1CC1n1nnnc1[*:1] CCN1C[C@@H](CN(C)C[*:1])Oc2ccccc21
CS[C@H]1CC[C@H](NC(=O)c2cc(-c3ccccc3F)on2)C1 Fc1ccccc1[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)c1cc(on1)[*:1]
CNC(SCc1cc2c(cc1Cl)OCO2)=C(C(C)=O)C(C)=O CC(=O)[*:1] CNC(SCc1cc2OCOc2cc1Cl)=C(C(C)=O)[*:1]
CCc1ccc(S(=O)(=O)CCC(=O)N2CCC(c3nn(C)c4ncccc34)CC2)cc1 Cn1nc(c2cccnc21)[*:1] CCc1ccc(cc1)S(=O)(=O)CCC(=O)N1CCC(CC1)[*:1]
CCc1ccc(S(=O)(=O)CCC(=O)N2CCC(c3nn(C)c4ncccc34)CC2)cc1 CCc1ccc(cc1)[*:1] Cn1nc(c2cccnc21)C1CCN(CC1)C(=O)CCS(=O)(=O)[*:1]
CCCn1c(NCc2ccc(OC)cc2)nc2c(C)nn(C)c2c1=O COc1ccc(cc1)[*:1] CCCn1c(nc2c(C)nn(C)c2c1=O)NC[*:1]
CCCn1c(NCc2ccc(OC)cc2)nc2c(C)nn(C)c2c1=O CCC[*:1] COc1ccc(cc1)CNc1nc2c(C)nn(C)c2c(=O)n1[*:1]
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H](C)c1cccs1 c1csc(c1)[*:1] CO[C@H]1CN(C[C@H]1N[C@H](C)[*:1])C(=O)OC(C)(C)C
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H](C)c1cccs1 CC(C)(C)[*:1] CO[C@H]1CN(C[C@H]1N[C@H](C)c1cccs1)C(=O)O[*:1]
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H](C)c1cccs1 C[C@H](c1cccs1)[*:1] CO[C@H]1CN(C[C@H]1N[*:1])C(=O)OC(C)(C)C
OCC1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)COC1 OCC1(COC1)[*:1] c1c2CCCCc2cc2c1OCCC[C@@H]2[NH2+]C[*:1]
COc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)N(C)C)c2)cc1F CN(C)C(=O)N[*:1] COc1ccc(cc1F)[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
COc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2C)c1 O=C([O-])[*:1] COc1cccc(c1)C(=O)Nc1cccc(c1C)[*:1]
Cn1/c(=N/C(=O)CCNS(=O)(=O)c2cccs2)[nH]c2cc(Cl)ccc21 c1csc(c1)[*:1] Cn1/c(=N/C(=O)CCNS(=O)(=O)[*:1])[nH]c2cc(Cl)ccc21
O=S(=O)(NCCSCc1ccco1)c1ccc2c(c1)OCCO2 c1coc(c1)CS[*:1] O=S(=O)(NCC[*:1])c1ccc2OCCOc2c1
O=S(=O)(NCCSCc1ccco1)c1ccc2c(c1)OCCO2 c1coc(c1)C[*:1] O=S(=O)(NCCS[*:1])c1ccc2OCCOc2c1
O=S(=O)(NCCSCc1ccco1)c1ccc2c(c1)OCCO2 c1coc(c1)[*:1] O=S(=O)(NCCSC[*:1])c1ccc2OCCOc2c1
CCCC[C@H]([NH3+])[C@H]1CCOC2(CCCC2)C1 CCCC[*:1] [NH3+][C@H]([C@H]1CCOC2(CCCC2)C1)[*:1]
CCCC[C@H]([NH3+])[C@H]1CCOC2(CCCC2)C1 CCC[*:1] [NH3+][C@@H](C[*:1])[C@H]1CCOC2(CCCC2)C1
O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[*:1]
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1sccc1-n1cnnn1 c1nnnn1[*:1] CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1sccc1[*:1]
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1sccc1-n1cnnn1 Cc1ccc(cc1)[*:1] CCN(C[C@H](O)[*:1])C(=O)c1sccc1-n1cnnn1
Cn1ncc2c(NCCSc3cnn[nH]3)nc(-c3ccncc3)nc21 c1cc(ccn1)[*:1] Cn1ncc2c(nc(nc21)[*:1])NCCSc1cnn[nH]1
CC(C)NC(=O)C[C@@H](C[NH3+])N(C)Cc1ccoc1 CC(C)[*:1] CN(Cc1ccoc1)[C@H](C[NH3+])CC(=O)N[*:1]
CC(C)NC(=O)C[C@@H](C[NH3+])N(C)Cc1ccoc1 CC(C)NC(=O)[*:1] CN(Cc1ccoc1)[C@H](C[NH3+])C[*:1]
CC(C)NC(=O)C[C@@H](C[NH3+])N(C)Cc1ccoc1 c1cc(co1)[*:1] CC(C)NC(=O)C[C@@H](C[NH3+])N(C)C[*:1]
CC(C)NC(=O)C[C@@H](C[NH3+])N(C)Cc1ccoc1 c1cc(co1)C[*:1] CC(C)NC(=O)C[C@@H](C[NH3+])N(C)[*:1]
O=C(NC[C@@H]1CC=CCC1)C(=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CC=CCC1)C(=O)c1cnn(c1)[*:1]
COC(=O)c1cnc(N(C(=O)c2sc(Cl)nc2C)C2CC2)s1 C1CC1[*:1] COC(=O)c1cnc(s1)N(C(=O)c1sc(Cl)nc1C)[*:1]
COC(=O)c1cnc(N(C(=O)c2sc(Cl)nc2C)C2CC2)s1 COC(=O)[*:1] Cc1nc(Cl)sc1C(=O)N(c1ncc(s1)[*:1])C1CC1
COC(=O)c1cnc(N(C(=O)c2sc(Cl)nc2C)C2CC2)s1 Cc1nc(Cl)sc1[*:1] COC(=O)c1cnc(s1)N(C(=O)[*:1])C1CC1
C[C@H](O)c1ccc(NC(=O)C2=C(Cl)C3=N[C@H](c4cccs4)C[C@H](C(F)(F)F)N3N2)cc1 C[C@H](O)c1ccc(cc1)[*:1] O=C(N[*:1])C1NN2C(=N[C@@H](C[C@@H]2C(F)(F)F)c2cccs2)C=1Cl
C[C@H](O)c1ccc(NC(=O)C2=C(Cl)C3=N[C@H](c4cccs4)C[C@H](C(F)(F)F)N3N2)cc1 c1csc(c1)[*:1] C[C@H](O)c1ccc(cc1)NC(=O)C1NN2C(=N[C@H](C[C@@H]2C(F)(F)F)[*:1])C=1Cl
C[C@H](O)c1ccc(NC(=O)C2=C(Cl)C3=N[C@H](c4cccs4)C[C@H](C(F)(F)F)N3N2)cc1 C[C@H](O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1NN2C(=N[C@@H](C[C@@H]2C(F)(F)F)c2cccs2)C=1Cl
C[C@H](O)c1ccc(NC(=O)C2=C(Cl)C3=N[C@H](c4cccs4)C[C@H](C(F)(F)F)N3N2)cc1 FC(F)(F)[*:1] C[C@H](O)c1ccc(cc1)NC(=O)C1NN2C(=N[C@@H](C[C@H]2[*:1])c2cccs2)C=1Cl
Cc1ccc([C@@H]2[NH+]=C(NCc3ccco3)Nc3nc(C)cc(=O)n32)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)[C@@H]1[NH+]=C(Nc2nc(C)cc(=O)n21)N[*:1]
Cc1ccc([C@@H]2[NH+]=C(NCc3ccco3)Nc3nc(C)cc(=O)n32)cc1 Cc1ccc(cc1)[*:1] Cc1cc(=O)n2c(n1)NC(NCc1ccco1)=[NH+][C@H]2[*:1]
Cc1ccc([C@@H]2[NH+]=C(NCc3ccco3)Nc3nc(C)cc(=O)n32)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@@H]1[NH+]=C(NC[*:1])Nc2nc(C)cc(=O)n21
O=C(COc1cccc2c1NC(=O)CO2)NCc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C(COc1cccc2OCC(=O)Nc12)NC[*:1]
CCOC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CCOC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCOC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 CCOC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(Cl)c1
COc1cccc([C@H]2CCCN2C(=O)c2cccc(CCC(C)(C)O)c2)c1 CC(C)(O)C[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)c1cccc(c1)C[*:1]
COc1cccc([C@H]2CCCN2C(=O)c2cccc(CCC(C)(C)O)c2)c1 CC(C)(O)[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)c1cccc(c1)CC[*:1]
COc1cccc([C@H]2CCCN2C(=O)c2cccc(CCC(C)(C)O)c2)c1 CC(C)(O)CC[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)c1cccc(c1)[*:1]
COc1cccc([C@H]2CCCN2C(=O)c2cccc(CCC(C)(C)O)c2)c1 COc1cccc(c1)[*:1] CC(C)(O)CCc1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
O=C(CCCSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=c1c2ccccc2n2c(nnc2n1-c1ccccc1)SCCC[*:1]
O=C(CCCSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CCCSc1nnc2n(c(=O)c3ccccc3n12)[*:1])c1ccc(F)cc1
O=C(CCCSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)c1ccc(F)cc1 O=C(C[*:1])c1ccc(F)cc1 O=c1c2ccccc2n2c(nnc2n1-c1ccccc1)SCC[*:1]
O=C(CCCSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)c1ccc(F)cc1 O=C(CC[*:1])c1ccc(F)cc1 O=c1c2ccccc2n2c(nnc2n1-c1ccccc1)SC[*:1]
O=C(CCCSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCCSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c(C)c1[*:1]
CC(C)CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] CN(C(=O)C[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 CC(C)C[*:1] CN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
COCCNC(=O)c1cc(Br)cn1C(C)C COC[*:1] CC(C)n1cc(Br)cc1C(=O)NC[*:1]
COCCNC(=O)c1cc(Br)cn1C(C)C CC(C)[*:1] COCCNC(=O)c1cc(Br)cn1[*:1]
COCCNC(=O)c1cc(Br)cn1C(C)C COCC[*:1] CC(C)n1cc(Br)cc1C(=O)N[*:1]
CCCSC/C([O-])=C(\C#N)C(=O)Nc1ccccc1F CCCSC[*:1] N#C/C(C(=O)Nc1ccccc1F)=C(/[O-])[*:1]
CCCSC/C([O-])=C(\C#N)C(=O)Nc1ccccc1F CCC[*:1] N#C/C(C(=O)Nc1ccccc1F)=C(/[O-])CS[*:1]
CCCSC/C([O-])=C(\C#N)C(=O)Nc1ccccc1F CCCS[*:1] N#C/C(C(=O)Nc1ccccc1F)=C(/[O-])C[*:1]
CCCCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 CCCC[*:1] C[C@@]1(NC(=O)N(CC(=O)c2ccc(cc2)[*:1])C1=O)c1ccccc1
CCCCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CCCCc1ccc(cc1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CCCCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 CCC[*:1] C[C@@]1(NC(=O)N(CC(=O)c2ccc(cc2)C[*:1])C1=O)c1ccccc1
CC(=O)N(CCc1ccccc1)CC(=O)N1C[C@@H](C)Oc2ncccc21 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)N1C[C@@H](C)Oc2ncccc21
CC(=O)N(CCc1ccccc1)CC(=O)N1C[C@@H](C)Oc2ncccc21 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)N1C[C@@H](C)Oc2ncccc21)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1C[C@@H](C)Oc2ncccc21 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)N1C[C@@H](C)Oc2ncccc21)C[*:1]
CC(C)=C/C([O-])=N/S(=O)(=O)c1cccc(C(F)(F)F)c1 CC(C)=C[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1cccc(c1)C(F)(F)F
CC(C)=C/C([O-])=N/S(=O)(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)=C/C([O-])=N/S(=O)(=O)c1cccc(c1)[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)N(C)CC(=O)N1CCOCC1 Fc1cccc(c1)C[*:1] C[C@@H](C[*:1])C(=O)N(C)CC(=O)N1CCOCC1
C[C@@H](CCc1cccc(F)c1)C(=O)N(C)CC(=O)N1CCOCC1 Fc1cccc(c1)[*:1] C[C@@H](CC[*:1])C(=O)N(C)CC(=O)N1CCOCC1
C[C@@H](CCc1cccc(F)c1)C(=O)N(C)CC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N(C)C[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2c(C)c3ccccc3[nH]c2=O)CC1 CCOC(=O)[*:1] Cc1c(C(=O)N2CCC(C)(CC2)[*:1])c(=O)[nH]c2ccccc12
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 c1cnc(nc1)[*:1] C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCN(Cc2cccc(C)c2)CC1 CC(=O)N[C@H](C)[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCN(Cc2cccc(C)c2)CC1 CC(=O)N[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)[C@@H](C)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCN(Cc2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CC(=O)N[C@H](C)C(=O)N1CCN(CC1)C[*:1]
CCCc1ccc(S(=O)(=O)Nc2cccc(C)c2O)cc1 CCC[*:1] Cc1cccc(NS(=O)(=O)c2ccc(cc2)[*:1])c1O
CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)cc1 c1ccc(cc1)C[*:1] CC(C)c1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2nc(nn21)S[*:1]
CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)cc1 c1ccc(cc1)CS[*:1] CC(C)c1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2nc(nn21)[*:1]
CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)cc1 CC(C)[*:1] O=C1C[C@H](C(=O)Nc2ccc(cc2)[*:1])n2nc(nc2N1)SCc1ccccc1
CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2nc(nn21)SC[*:1]
CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)nn32)cc1 CC(C)c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])n2nc(nc2N1)SCc1ccccc1
C[C@H](/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 c1csc(c1)[*:1] C[C@H](/C=N/NC(=O)c1ccccc1NS(=O)(=O)[*:1])c1ccccc1
C[C@H](/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 O=S(=O)(N[*:1])c1cccs1 C[C@H](/C=N/NC(=O)c1ccccc1[*:1])c1ccccc1
C[C@H](/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)[*:1]
O=C([O-])[C@H]1CC(=O)N(CCc2ccc3c(c2)OCO3)C1 O=C([O-])[*:1] O=C1C[C@@H](CN1CCc1ccc2OCOc2c1)[*:1]
CC(=O)c1c(C)cc(C)c(CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c1C CN(C)S(=O)(=O)[*:1] CC(=O)c1c(C)cc(C)c(CSc2nc3cc(ccc3o2)[*:1])c1C
CC(=O)c1c(C)cc(C)c(CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c1C CC(=O)[*:1] Cc1cc(C)c(c(C)c1CSc1nc2cc(ccc2o1)S(=O)(=O)N(C)C)[*:1]
Cc1cccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)C(=O)NC1CCN(CC1)C(=O)N[*:1]
Cc1cccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NC1CCCCC1)N1CCC(CC1)NC(=O)[*:1]
CC(C)NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ClC(Cl)=C[*:1] CC(C)NC(=O)[C@@H]1[C@@H](C1(C)C)[*:1]
CC(C)NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C CC(C)[*:1] CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[*:1]
CC(C)c1cc(N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)n2nccc2n1 CC(C)[*:1] O[C@H]1CN(C[C@@H]1[NH+]1CCCCC1)c1cc(nc2ccnn12)[*:1]
Cc1ccc(N2CCOC2=O)cc1NC(=O)Cc1cccc(F)c1F Fc1cccc(c1F)[*:1] Cc1ccc(cc1NC(=O)C[*:1])N1CCOC1=O
Cc1ccc(N2CCOC2=O)cc1NC(=O)Cc1cccc(F)c1F O=C1OCCN1[*:1] Cc1ccc(cc1NC(=O)Cc1cccc(F)c1F)[*:1]
O=C(CCSc1ccc(F)cc1)NCc1ccccc1Cl Fc1ccc(cc1)[*:1] O=C(CCS[*:1])NCc1ccccc1Cl
O=C(CCSc1ccc(F)cc1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CCSc1ccc(F)cc1)NC[*:1]
CCOc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(C(C)=O)cc3)nc12 CC(=O)c1ccc(cc1)[*:1] CCOc1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)[*:1]
CCOc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(C(C)=O)cc3)nc12 CCO[*:1] CC(=O)c1ccc(cc1)C(=O)N(C[C@@H]1CCCO1)c1nc2c(cccc2s1)[*:1]
CCOc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(C(C)=O)cc3)nc12 CC(=O)[*:1] CCOc1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)/C(C#N)=C2\NC(C)(C)Cc3ccccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC1(C)Cc2ccccc2/C(N1)=C(\C#N)C(=O)N[*:1]
O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(N[C@@H]1C[C@@H]1c1ccccc1)[*:1]
Cc1cccnc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 Cc1cccnc1[*:1] O=C(N[*:1])c1ccc(cc1)OC[C@@H]1CCCO1
Cc1cccnc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] Cc1cccnc1NC(=O)c1ccc(cc1)O[*:1]
Cc1cccnc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)CO[*:1] Cc1cccnc1NC(=O)c1ccc(cc1)[*:1]
Cn1cc(CNc2ccc(CCN3CCOCC3)cc2)c(C(C)(C)C)n1 C1CN(CCO1)C[*:1] Cn1cc(CNc2ccc(cc2)C[*:1])c(n1)C(C)(C)C
Cn1cc(CNc2ccc(CCN3CCOCC3)cc2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(CNc2ccc(cc2)CCN2CCOCC2)c(n1)[*:1]
Cn1cc(CNc2ccc(CCN3CCOCC3)cc2)c(C(C)(C)C)n1 C1CN(CCO1)CC[*:1] Cn1cc(CNc2ccc(cc2)[*:1])c(n1)C(C)(C)C
Cn1cc(CNc2ccc(CCN3CCOCC3)cc2)c(C(C)(C)C)n1 C1CN(CCO1)[*:1] Cn1cc(CNc2ccc(cc2)CC[*:1])c(n1)C(C)(C)C
CCc1ccc(-c2noc3c(=O)n(CCC(=O)Nc4cc(C)cc(C)c4)cnc23)cc1 Cc1cc(C)cc(c1)[*:1] CCc1ccc(cc1)-c1noc2c(=O)n(cnc12)CCC(=O)N[*:1]
CCc1ccc(-c2noc3c(=O)n(CCC(=O)Nc4cc(C)cc(C)c4)cnc23)cc1 CCc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CCn1cnc2c(noc2c1=O)[*:1]
O=C(NCc1ccon1)c1cc2ccccc2c(Cl)n1 c1cc(no1)[*:1] O=C(NC[*:1])c1cc2ccccc2c(Cl)n1
O=C(NCc1ccon1)c1cc2ccccc2c(Cl)n1 c1cc(C[*:1])no1 O=C(N[*:1])c1cc2ccccc2c(Cl)n1
CCOC(=O)CN(C)C(=O)N1CCC(C)CC1 CCOC(=O)[*:1] CC1CCN(CC1)C(=O)N(C)C[*:1]
CC(=O)c1cccc(NC(=O)CN(C)c2nc3c(C(F)(F)F)cccc3s2)c1 CC(=O)c1cccc(c1)[*:1] CN(CC(=O)N[*:1])c1nc2c(cccc2s1)C(F)(F)F
CC(=O)c1cccc(NC(=O)CN(C)c2nc3c(C(F)(F)F)cccc3s2)c1 FC(F)(F)[*:1] CC(=O)c1cccc(c1)NC(=O)CN(C)c1nc2c(cccc2s1)[*:1]
CC(=O)c1cccc(NC(=O)CN(C)c2nc3c(C(F)(F)F)cccc3s2)c1 CC(=O)[*:1] CN(CC(=O)Nc1cccc(c1)[*:1])c1nc2c(cccc2s1)C(F)(F)F
COCCNC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 COc1ccc(cc1OC)[*:1] COCCNC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
COCCNC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 COCC[*:1] COc1ccc(cc1OC)-n1c(N)c(C(=O)N[*:1])c2nc3ccccc3nc21
COCCNC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 COCCNC(=O)[*:1] COc1ccc(cc1OC)-n1c(N)c(c2nc3ccccc3nc21)[*:1]
COCCNC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 COC[*:1] COc1ccc(cc1OC)-n1c(N)c(C(=O)NC[*:1])c2nc3ccccc3nc21
C/[NH+]=C(/NCC1(C(=O)N(C)C)CCCC1)N[C@H]1CC[C@@H](SC)C1 CN(C)C(=O)[*:1] C/[NH+]=C(/NCC1(CCCC1)[*:1])N[C@H]1CC[C@H](C1)SC
Cc1cccc(OC[C@H](O)CNC(=O)c2n[nH]c(=O)c3ccccc23)c1 Cc1cccc(c1)[*:1] O=C(NC[C@@H](O)CO[*:1])c1n[nH]c(=O)c2ccccc12
Cc1cccc(OC[C@H](O)CNC(=O)c2n[nH]c(=O)c3ccccc23)c1 Cc1cccc(c1)O[*:1] O=C(NC[C@@H](O)C[*:1])c1n[nH]c(=O)c2ccccc12
CNC(=O)Cc1cc([O-])nc(SCC(=O)NCc2ccccc2)n1 CNC(=O)C[*:1] O=C(CSc1nc([O-])cc(n1)[*:1])NCc1ccccc1
CNC(=O)Cc1cc([O-])nc(SCC(=O)NCc2ccccc2)n1 c1ccc(cc1)C[*:1] CNC(=O)Cc1cc([O-])nc(n1)SCC(=O)N[*:1]
CNC(=O)Cc1cc([O-])nc(SCC(=O)NCc2ccccc2)n1 CNC(=O)[*:1] O=C(CSc1nc([O-])cc(C[*:1])n1)NCc1ccccc1
CNC(=O)Cc1cc([O-])nc(SCC(=O)NCc2ccccc2)n1 c1ccc(cc1)[*:1] CNC(=O)Cc1cc([O-])nc(n1)SCC(=O)NC[*:1]
[NH3+]CCc1ccc(CN2CCOCC2)s1 [NH3+]CC[*:1] c1cc(sc1CN1CCOCC1)[*:1]
COc1cc(OC)c(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1Cl c1ccc(cc1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)COc1cc(O)c2c(=O)cc(oc2c1)[*:1]
COc1cc(OC)c(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1Cl COc1cc(OC)c(cc1Cl)[*:1] O=C(COc1cc(O)c2c(=O)cc(oc2c1)-c1ccccc1)N[*:1]
C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)[O-])cn2)[C@@H]1C O=C([O-])[*:1] C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(cn2)[*:1])[C@@H]1C
CCN[C@@]1(C#N)CC[C@@H](Sc2cccs2)C1 CCN[*:1] N#C[C@]1(CC[C@H](C1)Sc1cccs1)[*:1]
CCN[C@@]1(C#N)CC[C@@H](Sc2cccs2)C1 c1csc(c1)[*:1] CCN[C@@]1(C#N)CC[C@H](C1)S[*:1]
CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cc(C)c(OC(C)=O)c(C)c3)c(=O)n2n1 CC(=O)O[*:1] CC(=O)Oc1c(C)cc(/C=c2\sc3nc(nn3c2=O)-c2ccccc2[*:1])cc1C
CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cc(C)c(OC(C)=O)c(C)c3)c(=O)n2n1 CC(=O)Oc1ccccc1[*:1] CC(=O)Oc1c(C)cc(/C=c2\sc3nc(nn3c2=O)[*:1])cc1C
CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cc(C)c(OC(C)=O)c(C)c3)c(=O)n2n1 CC(=O)O[*:1] CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cc(C)c(c(C)c3)[*:1])c(=O)n2n1
CC[C@@H](C(=O)Nc1ccccc1F)n1c(N)nnc1SC Fc1ccccc1[*:1] CC[C@@H](C(=O)N[*:1])n1c(N)nnc1SC
C[NH2+][C@@H](C)c1ccnc(Sc2nnnn2C2CCCC2)c1 C1CCC(C1)[*:1] C[NH2+][C@@H](C)c1ccnc(c1)Sc1nnnn1[*:1]
C[NH2+]C1CCC(N(C)c2ccc([N+](=O)[O-])cc2Br)CC1 O=[N+]([O-])[*:1] C[NH2+]C1CCC(CC1)N(C)c1ccc(cc1Br)[*:1]
CC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 Clc1ccccc1[*:1] CC(=O)Nc1cccc(c1)CNC(=O)N1CCC[C@H]1[*:1]
CC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 CC(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])N1CCC[C@@H]1c1ccccc1Cl
CCCC[C@@H](C)[NH2+]Cc1nc(C)sc1C CCC[*:1] Cc1nc(C[NH2+][C@H](C)C[*:1])c(C)s1
CCCC[C@@H](C)[NH2+]Cc1nc(C)sc1C CCCC[*:1] Cc1nc(C[NH2+][C@H](C)[*:1])c(C)s1
C[C@H](CNC(=O)NCCc1cccnc1)C[NH+]1CCCCC1 c1cncc(c1)[*:1] C[C@H](CNC(=O)NCC[*:1])C[NH+]1CCCCC1
C[C@H](CNC(=O)NCCc1cccnc1)C[NH+]1CCCCC1 c1cncc(c1)C[*:1] C[C@H](CNC(=O)NC[*:1])C[NH+]1CCCCC1
Cc1nc(N2CCCC2)nc(N2CCC3(CCC(=O)N(C)C3)CC2)c1C C1CCN(C1)[*:1] Cc1nc(nc(c1C)N1CCC2(CCC(=O)N(C)C2)CC1)[*:1]
CCc1nn(C)cc1C(=O)NCCc1csc(C)n1 Cc1nc(cs1)[*:1] CCc1nn(C)cc1C(=O)NCC[*:1]
COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CCN(C(=O)c3ccc(C)cc3)CC2)C1=O COCC[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)[C@]1(Cc2ccc(F)cc2)NC(=O)N(C1=O)[*:1]
COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CCN(C(=O)c3ccc(C)cc3)CC2)C1=O Cc1ccc(cc1)[*:1] COCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C1=O)C1CCN(CC1)C(=O)[*:1]
COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CCN(C(=O)c3ccc(C)cc3)CC2)C1=O COC[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)[C@]1(Cc2ccc(F)cc2)NC(=O)N(C[*:1])C1=O
COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CCN(C(=O)c3ccc(C)cc3)CC2)C1=O Fc1ccc(cc1)C[*:1] COCCN1C(=O)N[C@](C1=O)(C1CCN(CC1)C(=O)c1ccc(C)cc1)[*:1]
COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CCN(C(=O)c3ccc(C)cc3)CC2)C1=O Fc1ccc(cc1)[*:1] COCCN1C(=O)N[C@](C[*:1])(C1=O)C1CCN(CC1)C(=O)c1ccc(C)cc1
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccncc1 c1cc(ccn1)[*:1] Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[*:1]
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccncc1 O=C(N[*:1])c1ccco1 Cc1cc(sc1C(=O)NCc1ccncc1)[*:1]
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccncc1 c1cc(ccn1)C[*:1] Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[*:1]
Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccncc1 c1coc(c1)[*:1] Cc1cc(NC(=O)[*:1])sc1C(=O)NCc1ccncc1
CCNC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](C[NH3+])C2 CCNC(=O)[*:1] Cc1cc2C[C@H](C[NH3+])Oc2c(c1)-c1ccccc1[*:1]
O=C(NCc1ccco1)[C@H]1CCCN1c1nc(C2CC2)ns1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN1c1nc(ns1)C1CC1
O=C(NCc1ccco1)[C@H]1CCCN1c1nc(C2CC2)ns1 C1CC1[*:1] O=C(NCc1ccco1)[C@H]1CCCN1c1nc(ns1)[*:1]
O=C(NCc1ccco1)[C@H]1CCCN1c1nc(C2CC2)ns1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN1c1nc(ns1)C1CC1
COCC[C@@H](C)C(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 COC[*:1] C[C@H](C[*:1])C(=O)N(C)[C@H](C)c1ccc(cc1)[S@](C)=O
COCC[C@@H](C)C(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 COCC[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 COCC[C@@H](C)[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)[*:1]
COCC[C@@H](C)C(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] COCC[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
COc1ccc2[nH]c(=O)c(CNc3ccccc3-n3ccnc3)cc2c1 c1cn(cn1)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CNc1ccccc1[*:1]
COc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1ccc(Cl)s1 CC(=O)[*:1] COc1ccc(cc1CC(=O)N(C)Cc1ccc(Cl)s1)[*:1]
COc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 COc1ccc(cc1CC(=O)N(C)[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] COc1ccc(cc1CC(=O)N(C)C[*:1])C(C)=O
CC[C@H]([NH2+]CCn1cnnc1C1CC1)c1c(F)cccc1Cl C1CC1[*:1] CC[C@H]([NH2+]CCn1cnnc1[*:1])c1c(F)cccc1Cl
CCOc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 CS(=O)(=O)N[*:1] CCOc1ccc(cc1)CNC(=O)c1cccc(c1C)[*:1]
CCOc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 CCO[*:1] Cc1c(cccc1C(=O)NCc1ccc(cc1)[*:1])NS(C)(=O)=O
O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(Cl)ccc1[*:1]
COC(=O)C[C@@H]1CC2=C(CCC[C@H]2[NH3+])O1 COC(=O)C[*:1] [NH3+][C@@H]1CCCC2O[C@@H](CC=21)[*:1]
COC(=O)C[C@@H]1CC2=C(CCC[C@H]2[NH3+])O1 COC(=O)[*:1] [NH3+][C@@H]1CCCC2O[C@@H](CC=21)C[*:1]
COc1ccc(OCCN(C)C(=O)Nc2ccnn2C(C)C)cc1 CC(C)n1nccc1[*:1] COc1ccc(cc1)OCCN(C)C(=O)N[*:1]
COc1ccc(OCCN(C)C(=O)Nc2ccnn2C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)n1nccc1NC(=O)N(C)CCO[*:1]
COc1ccc(OCCN(C)C(=O)Nc2ccnn2C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)OCCN(C)C(=O)Nc1ccnn1[*:1]
CC[C@@H](C)NC(=O)c1cc2c(s1)-c1ccccc1SC2 CC[C@@H](C)[*:1] O=C(N[*:1])c1cc2CSc3ccccc3-c2s1
CCOc1ccc2[nH]c([C@H]3COc4ccccc43)nc2n1 CCO[*:1] c1ccc2c(c1)OC[C@@H]2c1nc2nc(ccc2[nH]1)[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CN1C(=O)NC(C)(C)C1=O Clc1ccc(cc1)[*:1] C[C@@H]([C@H](C)[*:1])N(C)C(=O)CN1C(=O)NC(C)(C)C1=O
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)Nc1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H](Sc1nnc(n1C[C@H]1CCCO1)[*:1])C(=O)Nc1ccccc1
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)N[*:1]
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)[*:1]
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)Nc1ccccc1 C1CO[C@H](C1)C[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1[*:1])C(=O)Nc1ccccc1
CC(C)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCC(CC1)CNS(=O)(=O)c1cccc2cccnc12
CC(C)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(N[*:1])C1CCC(CC1)CNS(=O)(=O)c1cccc2cccnc12
CC(C)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)cc1 c1cnc2c(cccc2c1)[*:1] CC(C)c1ccc(cc1)NC(=O)C1CCC(CC1)CNS(=O)(=O)[*:1]
C[C@@H](O)C[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc21 C[C@@H](O)[*:1] O=C([C@@H]1Cc2ccccc21)N1CCCC[C@H]1C[*:1]
C[C@@H](O)C[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc21 C[C@@H](O)C[*:1] O=C([C@@H]1Cc2ccccc21)N1CCCC[C@H]1[*:1]
CC(=O)N(C)c1cccc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)c1 CC(=O)N(C)[*:1] CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1cccc(c1)[*:1]
CC(=O)N(C)c1cccc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)c1 CC(C)[*:1] CC(=O)N(C)c1cccc(c1)N[C@H](C)C(=O)Nc1ccccc1[*:1]
O=C([C@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccon2)CC1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(N1CCN(CC1)Cc1ccon1)[*:1]
O=C([C@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccon2)CC1 c1cc(C[*:1])no1 O=C([C@H]1CCS(=O)(=O)C1)N1CCN(CC1)[*:1]
O=C([C@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccon2)CC1 c1cc(no1)[*:1] O=C([C@H]1CCS(=O)(=O)C1)N1CCN(CC1)C[*:1]
COCCN(C(=O)c1n[nH]c(C2CC2)n1)[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] COCCN(C(=O)c1n[nH]c(n1)C1CC1)[*:1]
COCCN(C(=O)c1n[nH]c(C2CC2)n1)[C@@H](C)C1CC1 COC[*:1] C[C@@H](C1CC1)N(C[*:1])C(=O)c1n[nH]c(n1)C1CC1
COCCN(C(=O)c1n[nH]c(C2CC2)n1)[C@@H](C)C1CC1 COCC[*:1] C[C@@H](C1CC1)N(C(=O)c1n[nH]c(n1)C1CC1)[*:1]
COCCN(C(=O)c1n[nH]c(C2CC2)n1)[C@@H](C)C1CC1 C1CC1[*:1] COCCN(C(=O)c1n[nH]c(n1)C1CC1)[C@@H](C)[*:1]
COCCN(C(=O)c1n[nH]c(C2CC2)n1)[C@@H](C)C1CC1 C1CC1[*:1] COCCN(C(=O)c1n[nH]c(n1)[*:1])[C@@H](C)C1CC1
CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccccc1Cl CCOC(=O)C[*:1] Cc1nn(c2N=C(O)CS[C@@H](c3ccccc3Cl)c12)[*:1]
CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccccc1Cl Clc1ccccc1[*:1] CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2[*:1]
CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccccc1Cl CCOC(=O)[*:1] Cc1nn(C[*:1])c2N=C(O)CS[C@@H](c3ccccc3Cl)c12
Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)c1 Cc1cc(C)cc(c1)[*:1] CC(C)CC(=O)Nc1nnc(SCC(=O)N[*:1])s1
Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)c1 CC(C)[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nnc(NC(=O)C[*:1])s1
Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)c1 CC(C)CC(=O)N[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nnc(s1)[*:1]
Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)c1 CC(C)C[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nnc(NC(=O)[*:1])s1
O=C(CCc1nc2ccccc2o1)Nc1ccnn1Cc1ccccc1Cl c1ccc2oc(nc2c1)[*:1] O=C(CC[*:1])Nc1ccnn1Cc1ccccc1Cl
O=C(CCc1nc2ccccc2o1)Nc1ccnn1Cc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CCc1nc2ccccc2o1)Nc1ccnn1[*:1]
O=C(CCc1nc2ccccc2o1)Nc1ccnn1Cc1ccccc1Cl Clc1ccccc1[*:1] O=C(CCc1nc2ccccc2o1)Nc1ccnn1C[*:1]
COc1ccc(NC(=O)Cn2c(-c3ccccc3Cl)nc3ccccc3c2=O)cc1OC COc1ccc(cc1OC)[*:1] O=C(Cn1c(nc2ccccc2c1=O)-c1ccccc1Cl)N[*:1]
COc1ccc(NC(=O)Cn2c(-c3ccccc3Cl)nc3ccccc3c2=O)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)NC(=O)Cn1c(nc2ccccc2c1=O)[*:1]
CC[NH2+]Cc1c(Cl)cccc1S[C@H](C)CCO C[C@H](CCO)[*:1] CC[NH2+]Cc1c(Cl)cccc1S[*:1]
CC[NH2+]Cc1c(Cl)cccc1S[C@H](C)CCO OCC[*:1] CC[NH2+]Cc1c(Cl)cccc1S[C@H](C)[*:1]
Cc1occc1-c1nnc(S[C@@H](C)C(=O)NC2CCCCC2)o1 C1CCC(CC1)[*:1] Cc1occc1-c1nnc(o1)S[C@@H](C)C(=O)N[*:1]
Cc1occc1-c1nnc(S[C@@H](C)C(=O)NC2CCCCC2)o1 Cc1occc1[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)NC1CCCCC1
C[C@H](CNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21)[*:1]
C[C@H](CNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21)N1CCOCC1 C1CC1[*:1] C[C@H](CNC(=O)N([C@H]1CCCc2ccccc21)[*:1])N1CCOCC1
C[C@H](CNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] O=C(NC[*:1])N(C1CC1)[C@H]1CCCc2ccccc21
O=C(COc1ccccc1)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 c1ccc(cc1)[*:1] O=C(CO[*:1])NC[C@@H]1Cc2cc(ccc2O1)-c1cnccn1
O=C(COc1ccccc1)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 c1cnc(cn1)[*:1] O=C(COc1ccccc1)NC[C@@H]1Cc2cc(ccc2O1)[*:1]
O=C(COc1ccccc1)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 c1ccc(cc1)OC[*:1] O=C(NC[C@@H]1Cc2cc(ccc2O1)-c1cnccn1)[*:1]
O=C(COc1ccccc1)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 c1ccc(cc1)O[*:1] O=C(C[*:1])NC[C@@H]1Cc2cc(ccc2O1)-c1cnccn1
Cc1ccc(NC(=O)N[C@H]2CCOc3c(Cl)cccc32)s1 Cc1ccc(s1)[*:1] O=C(N[C@H]1CCOc2c(Cl)cccc21)N[*:1]
Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)c(C)c3)CC2)c1 Cc1ccc(cc1C)[*:1] Cc1cccc(c1)C[NH+]1CCC(CC1)CNC(=O)N[*:1]
Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)c(C)c3)CC2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1C)NC(=O)NCC1CC[NH+](CC1)C[*:1]
Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)c(C)c3)CC2)c1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1C)NC(=O)NCC1CC[NH+](CC1)[*:1]
C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)C1=c2ccccc2=[NH+]C1 Fc1ccccc1[*:1] C[C@@H](OC(=O)[C@H]1CC(=O)N(C1)[*:1])C(=O)C1C[NH+]=c2ccccc2=1
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCOC2)cc1 c1coc(c1)[*:1] CNC(=O)c1ccc(cc1)CN(C[*:1])C(=O)[C@@H]1CCOC1
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCOC2)cc1 CNC(=O)[*:1] O=C([C@@H]1CCOC1)N(Cc1ccc(cc1)[*:1])Cc1ccco1
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCOC2)cc1 c1coc(c1)C[*:1] CNC(=O)c1ccc(cc1)CN(C(=O)[C@@H]1CCOC1)[*:1]
C[C@@H](CC(=O)NCCC(=O)N1CCCC1)NC(=O)c1ccccc1 O=C(C[*:1])N1CCCC1 C[C@@H](CC(=O)NC[*:1])NC(=O)c1ccccc1
C[C@@H](CC(=O)NCCC(=O)N1CCCC1)NC(=O)c1ccccc1 O=C(N1CCCC1)[*:1] C[C@@H](CC(=O)NCC[*:1])NC(=O)c1ccccc1
C[C@@H](CC(=O)NCCC(=O)N1CCCC1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)NCCC(=O)N1CCCC1)NC(=O)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 Clc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1
C[C@@H](Oc1ccccc1Cl)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)N(C)[*:1]
O=C(c1csnn1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 c1snnc1[*:1] O=C(N1CCC(CC1)c1nc2cc(Cl)ccc2o1)[*:1]
Cc1cc2oc(=O)cc(CC(=O)N3CCC(Cc4ccccc4)CC3)c2cc1C c1ccc(cc1)[*:1] Cc1cc2oc(=O)cc(CC(=O)N3CCC(CC3)C[*:1])c2cc1C
Cc1cc2oc(=O)cc(CC(=O)N3CCC(Cc4ccccc4)CC3)c2cc1C c1ccc(cc1)C[*:1] Cc1cc2oc(=O)cc(CC(=O)N3CCC(CC3)[*:1])c2cc1C
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(O)c(Cl)c1 Clc1cccc(c1)[*:1] O=C(N[C@@H]1CCN(C1)[*:1])c1ccc(O)c(Cl)c1
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1nc(sc1[*:1])C(C)(C)c1ccccc1
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NC(C)C c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NC(C)C)C(C)(C)[*:1]
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NC(C)C CC(C)[*:1] Cc1nc(sc1C(=O)N[*:1])C(C)(C)c1ccccc1
C#CCN1CCN(C(=O)NC[C@H](C)Cc2ccc(OC)cc2)CC1 C#CC[*:1] COc1ccc(cc1)C[C@@H](C)CNC(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)NC[C@H](C)Cc2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] C#CCN1CCN(CC1)C(=O)NC[C@H](C)C[*:1]
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cncc(Br)c1 CCS(=O)(=O)C[*:1] C[C@@H](N(C)C(=O)c1cncc(Br)c1)[*:1]
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cncc(Br)c1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)C(=O)c1cncc(Br)c1
Cc1nc2ncnn2c(C)c1CCC(=O)Oc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)Oc1ccc(cc1)[*:1]
C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H](NC(=O)N1CCC(CC1)CC[NH+](C)C)c1cccc(c1)O[*:1]
C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H](NC(=O)N1CCC(CC1)CC[NH+](C)C)c1cccc(c1)[*:1]
[NH3+][C@@H]1CCC[C@@H](OCc2ccc([N+](=O)[O-])c(F)c2)C1 O=[N+]([O-])[*:1] [NH3+][C@@H]1CCC[C@H](C1)OCc1ccc(c(F)c1)[*:1]
C[C@H](NC(=O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1)c1ccccc1 O=C([O-])[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)C=C[*:1])c1ccccc1
C[C@H](NC(=O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C([O-])/C=C/C(=O)Nc1cccc(c1)C(=O)N[*:1]
C[C@H](NC(=O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)/C=C/C(=O)[O-])[*:1]
C[C@H](NC(=O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1)c1ccccc1 O=C([O-])/C=C/C(=O)N[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])c1ccccc1
Cc1ccc(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c(=O)[nH]1 Cc1ccc(c(=O)[nH]1)[*:1] O=C(NCc1ccc(cc1)CN1CCc2ccccc21)[*:1]
Cc1ccc(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c(=O)[nH]1 c1ccc2c(c1)CCN2[*:1] Cc1ccc(C(=O)NCc2ccc(cc2)C[*:1])c(=O)[nH]1
CCOc1ccc2nc(C[C@H](C)[NH3+])sc2c1 CCO[*:1] C[C@H]([NH3+])Cc1nc2ccc(cc2s1)[*:1]
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CC[NH2+]CC2)[nH+]1 Cc1cccc(Cl)c1[*:1] Cc1nc(cc([nH+]1)N1CC[NH2+]CC1)Nc1ncc(s1)C(=O)N[*:1]
Cc1cc(OC(F)F)c(C(=O)O[C@@H](C)Cn2cccn2)s1 FC(F)[*:1] Cc1cc(O[*:1])c(s1)C(=O)O[C@@H](C)Cn1cccn1
Cc1cc(OC(F)F)c(C(=O)O[C@@H](C)Cn2cccn2)s1 c1cnn(c1)[*:1] Cc1cc(OC(F)F)c(s1)C(=O)O[C@@H](C)C[*:1]
Cc1cc(OC(F)F)c(C(=O)O[C@@H](C)Cn2cccn2)s1 c1cnn(c1)C[*:1] Cc1cc(OC(F)F)c(s1)C(=O)O[C@@H](C)[*:1]
Cc1cc(OC(F)F)c(C(=O)O[C@@H](C)Cn2cccn2)s1 FC(F)O[*:1] Cc1cc(c(s1)C(=O)O[C@@H](C)Cn1cccn1)[*:1]
CCOc1cc(Br)ccc1NC(=O)NNc1cnccn1 CCO[*:1] O=C(NNc1cnccn1)Nc1ccc(Br)cc1[*:1]
CCOc1cc(Br)ccc1NC(=O)NNc1cnccn1 c1cnc(cn1)[*:1] CCOc1cc(Br)ccc1NC(=O)NN[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 CC(C)C(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 CC(C)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
Cc1ccc(OCc2nonc2C)c(C[NH2+]C(C)C)n1 CC(C)[*:1] Cc1ccc(OCc2nonc2C)c(C[NH2+][*:1])n1
Cc1ccc(OCc2nonc2C)c(C[NH2+]C(C)C)n1 Cc1nonc1[*:1] Cc1ccc(OC[*:1])c(C[NH2+]C(C)C)n1
N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1[*:1]
Cc1cc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(c1)[*:1]
Cc1ncc([C@H](C)[NH2+][C@H]2CCC[C@H](C3CC3)C2)s1 Cc1ncc(s1)[*:1] C[C@H]([NH2+][C@H]1CCC[C@@H](C1)C1CC1)[*:1]
Cc1ncc([C@H](C)[NH2+][C@H]2CCC[C@H](C3CC3)C2)s1 C1CC1[*:1] Cc1ncc(s1)[C@H](C)[NH2+][C@H]1CCC[C@H](C1)[*:1]
CCn1c([C@H](C)NCCS(=O)(=O)c2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(nc2ccccc21)[C@H](C)NCCS(=O)(=O)[*:1]
COC(=O)[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC(=O)[C@H](NC(=O)c1ccc(cc1)NC(C)=O)[*:1]
COC(=O)[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 COC(=O)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
COC(=O)[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 CC(=O)N[*:1] COC(=O)[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(F)c(F)c1
O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 Fc1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc2cc(ccc2c1)[*:1] O=C(CCc1nc(no1)-c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
NC(=S)Cc1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] NC(=S)Cc1ccc(cc1)S(=O)(=O)NCC[*:1]
NC(=S)Cc1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] NC(=S)Cc1ccc(cc1)S(=O)(=O)NC[*:1]
NC(=S)Cc1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 NC(=S)[*:1] O=S(=O)(NCC[C@H]1CCCO1)c1ccc(cc1)C[*:1]
NC(=S)Cc1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 C1CO[C@H](C1)CC[*:1] NC(=S)Cc1ccc(cc1)S(=O)(=O)N[*:1]
NC(=S)Cc1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 NC(=S)C[*:1] O=S(=O)(NCC[C@H]1CCCO1)c1ccc(cc1)[*:1]
C/C=C/CS(=O)(=O)N[C@H](C(=O)OC)c1ccc(F)cc1F C/C=C/C[*:1] COC(=O)[C@@H](NS(=O)(=O)[*:1])c1ccc(F)cc1F
C/C=C/CS(=O)(=O)N[C@H](C(=O)OC)c1ccc(F)cc1F CC=C[*:1] COC(=O)[C@@H](NS(=O)(=O)C[*:1])c1ccc(F)cc1F
C/C=C/CS(=O)(=O)N[C@H](C(=O)OC)c1ccc(F)cc1F COC(=O)[*:1] C/C=C/CS(=O)(=O)N[C@H](c1ccc(F)cc1F)[*:1]
CCc1ccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1 c1cnn(c1)[*:1] CCc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(nc(C)n1)[*:1]
CCc1ccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1 CCc1ccc(cc1)[*:1] Cc1nc(cc(n1)-n1cccn1)N1CCN(CC1)C(=O)[*:1]
CCC[NH2+]Cc1c(C)nn(C)c1N(CC)C1CC1 C1CC1[*:1] CCC[NH2+]Cc1c(C)nn(C)c1N(CC)[*:1]
CCC[NH2+]Cc1c(C)nn(C)c1N(CC)C1CC1 CCN(C1CC1)[*:1] CCC[NH2+]Cc1c(C)nn(C)c1[*:1]
CCC[NH2+]Cc1c(C)nn(C)c1N(CC)C1CC1 CCC[*:1] CCN(c1c(C[NH2+][*:1])c(C)nn1C)C1CC1
CNC(=O)CN(C)C(=O)CCCNC(=O)c1ccco1 c1coc(c1)[*:1] CNC(=O)CN(C)C(=O)CCCNC(=O)[*:1]
CNC(=O)CN(C)C(=O)CCCNC(=O)c1ccco1 CNC(=O)[*:1] CN(C[*:1])C(=O)CCCNC(=O)c1ccco1
CNC(=O)CN(C)C(=O)CCCNC(=O)c1ccco1 CNC(=O)C[*:1] CN(C(=O)CCCNC(=O)c1ccco1)[*:1]
COc1ccc(-c2cc(C(=O)Nc3c(C(=O)NC(C)(C)C)oc4ccccc34)no2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)NC(=O)c1oc2ccccc2c1NC(=O)c1cc(on1)[*:1]
COc1ccc(-c2cc(C(=O)Nc3c(C(=O)NC(C)(C)C)oc4ccccc34)no2)cc1 CC(C)(C)NC(=O)[*:1] COc1ccc(cc1)-c1cc(no1)C(=O)Nc1c(oc2ccccc12)[*:1]
COc1ccc(-c2cc(C(=O)Nc3c(C(=O)NC(C)(C)C)oc4ccccc34)no2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)-c1cc(no1)C(=O)Nc1c(oc2ccccc12)C(=O)N[*:1]
CCC(CC)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1 CCC(CC)[*:1] CN1C[C@@H](CC1=O)C(=O)N[C@@H](c1ccccc1)[*:1]
CCC(CC)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1 CN1C[C@@H](CC1=O)[*:1] CCC(CC)[C@@H](NC(=O)[*:1])c1ccccc1
CCC(CC)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)[*:1]
Cc1cc(NC(=O)CCl)c([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(NC(=O)CCl)c(cc1[N+](=O)[O-])[*:1]
Cc1cc(NC(=O)CCl)c([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(NC(=O)CCl)c(cc1[*:1])[N+](=O)[O-]
Cc1cc(NC(=O)CCl)c([N+](=O)[O-])cc1[N+](=O)[O-] O=C(CCl)N[*:1] Cc1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCC3(O)CCOCC3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NCC1(O)CCOCC1)[C@H]1CCC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCC3(O)CCOCC3)CCC2=O)cc1C OC1(CCOCC1)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCC3(O)CCOCC3)CCC2=O)cc1C OC1(CCOCC1)C[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N[*:1]
COc1cc(C[NH2+][C@H]2CC[C@H]([NH+](C)C)C2)c(-c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1cc(C[NH2+][C@H]2CC[C@@H](C2)[NH+](C)C)c(cc1OC)[*:1]
CCC[C@H]1CC(=O)N(CN2CCN(c3ncccc3F)CC2)C1 CCC[*:1] O=C1C[C@@H](CN1CN1CCN(CC1)c1ncccc1F)[*:1]
CCC[C@H]1CC(=O)N(CN2CCN(c3ncccc3F)CC2)C1 Fc1cccnc1[*:1] CCC[C@H]1CC(=O)N(C1)CN1CCN(CC1)[*:1]
COc1ccccc1N/C(=N\C(=O)c1ccc(C)c(C)c1)NCc1ccncc1 c1cc(ccn1)[*:1] COc1ccccc1N/C(=N\C(=O)c1ccc(C)c(C)c1)NC[*:1]
COc1ccccc1N/C(=N\C(=O)c1ccc(C)c(C)c1)NCc1ccncc1 c1cc(ccn1)C[*:1] COc1ccccc1N/C(=N\C(=O)c1ccc(C)c(C)c1)N[*:1]
COc1ccccc1N/C(=N\C(=O)c1ccc(C)c(C)c1)NCc1ccncc1 COc1ccccc1[*:1] Cc1ccc(cc1C)C(=O)/N=C(/NCc1ccncc1)N[*:1]
COc1ccccc1N/C(=N\C(=O)c1ccc(C)c(C)c1)NCc1ccncc1 Cc1ccc(cc1C)[*:1] COc1ccccc1N/C(=N\C(=O)[*:1])NCc1ccncc1
Cc1ccn2c(C[NH+](C)CC(C)(C)C)cnc2c1 CC(C)(C)[*:1] Cc1ccn2c(cnc2c1)C[NH+](C)C[*:1]
Cc1ccn2c(C[NH+](C)CC(C)(C)C)cnc2c1 CC(C)(C)C[*:1] Cc1ccn2c(cnc2c1)C[NH+](C)[*:1]
O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH+]1CCSCC1 Fc1ccc(cc1)[*:1] O=C1N(CCC[C@@]1(O)C[NH+]1CCSCC1)C[*:1]
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1 c1csc(c1)[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCCCC1
Cc1ccc([C@](O)(CC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C(F)(F)F)o1 NC(=O)[C@H]1CC[C@H](O1)[*:1] Cc1ccc(o1)[C@](O)(CC(=O)NC[*:1])C(F)(F)F
Cc1ccc([C@](O)(CC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C(F)(F)F)o1 NC(=O)[*:1] Cc1ccc(o1)[C@](O)(CC(=O)NC[C@@H]1CC[C@H](O1)[*:1])C(F)(F)F
Cc1ccc([C@](O)(CC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@](O)(CC(=O)NC[C@@H]1CC[C@@H](O1)C(N)=O)[*:1]
Cc1ccc([C@](O)(CC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)C(F)(F)F)o1 Cc1ccc(o1)[*:1] NC(=O)[C@H]1CC[C@@H](CNC(=O)C[C@@](O)(C(F)(F)F)[*:1])O1
CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(c1)[*:1]
CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 FC(F)(F)C[*:1] CC[C@H](N[C@H]1CCN(C1=O)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc([N+](=O)[O-])c1 FC(F)(F)[*:1] CC[C@H](N[C@H]1CCN(C[*:1])C1=O)c1cccc(c1)[N+](=O)[O-]
CC(C)Oc1cccc(C[NH2+]Cc2ccccc2N2C[C@H](C)O[C@H](C)C2)c1 CC(C)O[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccccc1C[NH2+]Cc1cccc(c1)[*:1]
CC(C)Oc1cccc(C[NH2+]Cc2ccccc2N2C[C@H](C)O[C@H](C)C2)c1 CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccccc1C[NH2+]Cc1cccc(c1)O[*:1]
Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1C(C)(C)CC(=O)CC1(C)C O=[N+]([O-])[*:1] Cc1cccc(c1C(=O)OCC(=O)N1C(C)(C)CC(=O)CC1(C)C)[*:1]
O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(N[C@H]1CCCc2ccccc21)[*:1]
CS[C@H]1CC[C@H](Nc2ccc(C(=O)N(C)C)cn2)C1 CN(C)C(=O)[*:1] CS[C@H]1CC[C@@H](C1)Nc1ccc(cn1)[*:1]
Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCc2ccccc2Cl)CC1 Clc1ccccc1C[*:1] Cc1oc(nc1C[NH+]1CCC(CC1)C(=O)N[*:1])-c1ccc(Cl)cc1
Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCc2ccccc2Cl)CC1 Clc1ccc(cc1)[*:1] Cc1oc(nc1C[NH+]1CCC(CC1)C(=O)NCc1ccccc1Cl)[*:1]
Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCc2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1oc(nc1C[NH+]1CCC(CC1)C(=O)NC[*:1])-c1ccc(Cl)cc1
C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(-n2cnnn2)cc1 N#CC[*:1] C[C@@H](N[C@H](C[*:1])c1ccccc1)c1ccc(cc1)-n1cnnn1
C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(-n2cnnn2)cc1 c1ccc(cc1)[*:1] C[C@@H](N[C@H](CCC#N)[*:1])c1ccc(cc1)-n1cnnn1
C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(-n2cnnn2)cc1 N#CCC[*:1] C[C@@H](N[C@H](c1ccccc1)[*:1])c1ccc(cc1)-n1cnnn1
C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(cc1)[*:1]
O=C(CCCn1cccn1)Nc1ccc2oc(C3CC3)nc2c1 C1CC1[*:1] O=C(CCCn1cccn1)Nc1ccc2oc(nc2c1)[*:1]
O=C(CCCn1cccn1)Nc1ccc2oc(C3CC3)nc2c1 c1cnn(c1)[*:1] O=C(CCC[*:1])Nc1ccc2oc(nc2c1)C1CC1
O=C(CCCn1cccn1)Nc1ccc2oc(C3CC3)nc2c1 c1cnn(c1)C[*:1] O=C(CC[*:1])Nc1ccc2oc(nc2c1)C1CC1
O=C(CCCn1cccn1)Nc1ccc2oc(C3CC3)nc2c1 c1cnn(c1)CC[*:1] O=C(C[*:1])Nc1ccc2oc(nc2c1)C1CC1
CC(C)[NH2+][C@]1(CO)CCC[C@H](Sc2ccc(Br)cn2)C1 CC(C)[*:1] OC[C@]1(CCC[C@@H](C1)Sc1ccc(Br)cn1)[NH2+][*:1]
NC(=[NH2+])c1ccccc1CSc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] NC(=[NH2+])c1ccccc1CSc1ccc(cc1)[*:1]
NC(=[NH2+])c1ccccc1CSc1ccc([N+](=O)[O-])cc1 NC(=[NH2+])[*:1] O=[N+]([O-])c1ccc(cc1)SCc1ccccc1[*:1]
Cn1c(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c(Br)c2ccccc21 C1CO[C@@H](C1)CO[*:1] Cn1c(C(=O)Nc2cccc(c2)[*:1])c(Br)c2ccccc21
CC[C@@H](NC(=O)CNC(=O)OC)c1c(C)nn(C)c1C COC(=O)NC[*:1] CC[C@@H](NC(=O)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)CNC(=O)OC)c1c(C)nn(C)c1C COC(=O)N[*:1] CC[C@@H](NC(=O)C[*:1])c1c(C)nn(C)c1C
COc1ccccc1N1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 COc1ccccc1[*:1] O=S(=O)(CCC[NH+]1CCN(CC1)[*:1])c1ccc(F)cc1
COc1ccccc1N1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccccc1N1CC[NH+](CCCS(=O)(=O)[*:1])CC1
OCC1(C[NH2+]Cc2csc(-c3cccs3)n2)CC1 OCC1(CC1)C[*:1] c1csc(c1)-c1nc(cs1)C[NH2+][*:1]
OCC1(C[NH2+]Cc2csc(-c3cccs3)n2)CC1 OCC1(CC1)[*:1] c1csc(c1)-c1nc(cs1)C[NH2+]C[*:1]
OCC1(C[NH2+]Cc2csc(-c3cccs3)n2)CC1 c1csc(c1)[*:1] OCC1(CC1)C[NH2+]Cc1csc(n1)[*:1]
CCCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCCC(C)(C)NS(=O)(=O)c1ccc(cc1)[*:1]
CCCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 CCC[*:1] CC(C)(NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 CCCC(C)(C)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N[*:1]
CCC(CC)N(C)C(=O)Cc1ccc(NC(C)=O)cc1 CCC(CC)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)N(C)[*:1]
CCC(CC)N(C)C(=O)Cc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCC(CC)N(C)C(=O)Cc1ccc(cc1)[*:1]
CCN(Cc1ccccn1)c1nc(Cl)nc(Cl)n1 c1ccc(nc1)[*:1] CCN(C[*:1])c1nc(Cl)nc(Cl)n1
CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)C[C@@H](C)O)CC1 C[C@@H](O)[*:1] CCN1CC[NH+](CC1)C[C@H](C)CNC(=O)N(C)C[*:1]
CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)C[C@@H](C)O)CC1 C[C@@H](O)C[*:1] CCN1CC[NH+](CC1)C[C@H](C)CNC(=O)N(C)[*:1]
CN1C(=O)C[C@H](C(=O)NNc2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 c1cnc(cn1)[*:1] CN1C(=O)C[C@H](C(=O)NN[*:1])[C@H]1c1ccc(Cl)c(F)c1
CN1C(=O)C[C@H](C(=O)NNc2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CN1C(=O)C[C@H](C(=O)NNc2cnccn2)[C@@H]1[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CN1CC[S@](=O)C(C)(C)C1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CN1CC[S@](=O)C(C)(C)C1
Cc1nn(Cc2ccccc2)c(C)c1CN1CC[S@](=O)C(C)(C)C1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CN1CC[S@](=O)C(C)(C)C1)[*:1]
Cc1nc(-c2cccc(C(=O)NCC(C)(C)O)c2)no1 Cc1nc(no1)[*:1] CC(C)(O)CNC(=O)c1cccc(c1)[*:1]
Cc1nc(-c2cccc(C(=O)NCC(C)(C)O)c2)no1 CC(C)(O)[*:1] Cc1nc(no1)-c1cccc(c1)C(=O)NC[*:1]
Cc1nc(-c2cccc(C(=O)NCC(C)(C)O)c2)no1 CC(C)(O)C[*:1] Cc1nc(no1)-c1cccc(c1)C(=O)N[*:1]
CCc1cnc(NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)s1 CCc1cnc(s1)[*:1] Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[*:1]
CCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CSCCO1 CCC[*:1] Clc1ccc(Cl)c(c1)[C@@H]([NH2+][*:1])[C@H]1CSCCO1
CCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cc4ccccc4n3C)n2)C1 CCOC(=O)[*:1] Cn1c(cc2ccccc21)-c1nc(cs1)C(=O)N1CCC[C@@H](C1)[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1F O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])Nc1ccc(F)cc1F
COCCn1cnnc1CN(C)C(=O)c1cc(Cl)c(C)c(Cl)c1 COCC[*:1] Cc1c(Cl)cc(cc1Cl)C(=O)N(C)Cc1nncn1[*:1]
COCCn1cnnc1CN(C)C(=O)c1cc(Cl)c(C)c(Cl)c1 COC[*:1] Cc1c(Cl)cc(cc1Cl)C(=O)N(C)Cc1nncn1C[*:1]
CCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3Cl)CC2=O)cc1 CCO[*:1] O=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3Cl)CC2=O)cc1 Clc1ccccc1[*:1] CCOc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
CCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3Cl)CC2=O)cc1 Clc1ccccc1C[*:1] CCOc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
C=CCOc1cccc(NC(=O)NC2(c3noc(C)n3)CCCCCC2)c1 C=CC[*:1] Cc1nc(no1)C1(CCCCCC1)NC(=O)Nc1cccc(c1)O[*:1]
C=CCOc1cccc(NC(=O)NC2(c3noc(C)n3)CCCCCC2)c1 Cc1nc(no1)[*:1] C=CCOc1cccc(c1)NC(=O)NC1(CCCCCC1)[*:1]
C=CCOc1cccc(NC(=O)NC2(c3noc(C)n3)CCCCCC2)c1 C=CCO[*:1] Cc1nc(no1)C1(CCCCCC1)NC(=O)Nc1cccc(c1)[*:1]
C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O FC(F)(F)[*:1] C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCN(CC2)c2ccc(cn2)[*:1])C1=O
C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O FC(F)(F)c1ccc(nc1)[*:1] C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCN(CC2)[*:1])C1=O
C[C@@H](C#N)CNc1cccc(Cl)c1Cl C[C@@H](C#N)[*:1] Clc1cccc(NC[*:1])c1Cl
Cc1noc(CC[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)n1 Cc1noc(n1)[*:1] O=C1Nc2ccccc2C12CCC(CC2)[NH2+]CC[*:1]
Cc1noc(CC[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)n1 Cc1noc(CC[*:1])n1 O=C1Nc2ccccc2C12CCC(CC2)[NH2+][*:1]
Cc1noc(CC[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)n1 Cc1noc(C[*:1])n1 O=C1Nc2ccccc2C12CCC(CC2)[NH2+]C[*:1]
COC(=O)[C@H](c1ccc(OC)cc1)[C@@H]1C=C[C@@H](NC(=O)c2ccccc2Cl)C1 Clc1ccccc1[*:1] COC(=O)[C@H](c1ccc(cc1)OC)[C@@H]1C=C[C@H](C1)NC(=O)[*:1]
COC(=O)[C@H](c1ccc(OC)cc1)[C@@H]1C=C[C@@H](NC(=O)c2ccccc2Cl)C1 COC(=O)[*:1] COc1ccc(cc1)[C@H]([C@@H]1C=C[C@H](C1)NC(=O)c1ccccc1Cl)[*:1]
COC(=O)[C@H](c1ccc(OC)cc1)[C@@H]1C=C[C@@H](NC(=O)c2ccccc2Cl)C1 COc1ccc(cc1)[*:1] COC(=O)[C@H]([C@@H]1C=C[C@H](C1)NC(=O)c1ccccc1Cl)[*:1]
C[C@@H]1CN(c2cc(CNC(=O)Cc3ccc(F)cc3)cc[nH+]2)CCO1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)C[*:1]
C[C@@H]1CN(c2cc(CNC(=O)Cc3ccc(F)cc3)cc[nH+]2)CCO1 Fc1ccc(cc1)C[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)[*:1]
Cn1cc(C#N)cc1C(=O)[C@H](C#N)c1nnc(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cn1cc(C#N)cc1C(=O)[C@H](C#N)c1nnc(n1C)[*:1]
Cn1cc(C#N)cc1C(=O)[C@H](C#N)c1nnc(-c2ccccc2)n1C Cn1cc(C#N)cc1[*:1] Cn1c(nnc1[C@@H](C#N)C(=O)[*:1])-c1ccccc1
COCCCN(C(=O)NCC1CCC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 COCCC[*:1] CC1(C)CCC(CC1)CNC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COCCCN(C(=O)NCC1CCC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] COCCCN(C(=O)NCC1CCC(C)(C)CC1)[*:1]
COCCCN(C(=O)NCC1CCC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 CC1(C)CCC(CC1)[*:1] COCCCN(C(=O)NC[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)NCC1CCC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 COC[*:1] CC1(C)CCC(CC1)CNC(=O)N(CC[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)NCC1CCC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] CC1(C)CCC(CC1)CNC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1c(NC(=O)N2CCOC[C@H]2C2CC2)cnn1CCC(C)C C1CC1[*:1] Cc1c(cnn1CCC(C)C)NC(=O)N1CCOC[C@@H]1[*:1]
Cc1c(NC(=O)N2CCOC[C@H]2C2CC2)cnn1CCC(C)C CC(C)C[*:1] Cc1c(cnn1C[*:1])NC(=O)N1CCOC[C@H]1C1CC1
Cc1c(NC(=O)N2CCOC[C@H]2C2CC2)cnn1CCC(C)C CC(C)[*:1] Cc1c(cnn1CC[*:1])NC(=O)N1CCOC[C@H]1C1CC1
Cc1c(NC(=O)N2CCOC[C@H]2C2CC2)cnn1CCC(C)C CC(C)CC[*:1] Cc1c(cnn1[*:1])NC(=O)N1CCOC[C@H]1C1CC1
CCn1c(CC(C)(C)O)[nH+]c2ccccc21 CC(C)(O)C[*:1] CCn1c([nH+]c2ccccc21)[*:1]
CCn1c(CC(C)(C)O)[nH+]c2ccccc21 CC(C)(O)[*:1] CCn1c(C[*:1])[nH+]c2ccccc21
Cc1ccc(C(=O)NCC[C@@H](O)c2cccs2)cc1[N+](=O)[O-] c1csc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NCC[C@@H](O)[*:1]
Cc1ccc(C(=O)NCC[C@@H](O)c2cccs2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NCC[C@@H](O)c1cccs1
CCC(CC)(Nc1nc(Cl)nc(OC)n1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(Nc1nc(Cl)nc(n1)OC)[*:1]
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 CC(C)(C)[*:1] N#C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccc(cc1)[*:1]
CCNc1ccnc(N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)n1 CCN[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)Nc1nccc(n1)[*:1])N1CCOCC1
CCNc1ccnc(N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)n1 C1CN(CCO1)[*:1] CCNc1ccnc(n1)N[C@@H]1CC(C)(C)Cc2nc(ncc21)[*:1]
CCNc1ccnc(N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)n1 CCNc1ccnc(n1)[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)N[*:1])N1CCOCC1
CC(C)COc1cncc(N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)n1 CC(C)C[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)c1cncc(n1)O[*:1]
CC(C)COc1cncc(N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)n1 CC(C)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)c1cncc(n1)OC[*:1]
CC(C)COc1cncc(N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)n1 CC(C)CO[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)c1cncc(n1)[*:1]
Cc1ccccc1Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] Cc1ccccc1Cn1cccc(C(=O)N[*:1])c1=O
Cc1ccccc1Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O Cc1ccccc1C[*:1] O=C(Nc1ccc(F)cc1)c1cccn(c1=O)[*:1]
Cc1ccccc1Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O Cc1ccccc1[*:1] O=C(Nc1ccc(F)cc1)c1cccn(C[*:1])c1=O
O=C(N[C@H]1CC(=O)N(C2CC2)C1)N[C@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)N[C@H](c1ccccc1)[*:1]
O=C(N[C@H]1CC(=O)N(C2CC2)C1)N[C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)N[C@H](C1CC1)[*:1]
O=C(N[C@H]1CC(=O)N(C2CC2)C1)N[C@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])N[C@H](c1ccccc1)C1CC1
COc1cc(C(C)=O)ccc1OCC(=O)NC1CC1 O=C(NC1CC1)[*:1] COc1cc(ccc1OC[*:1])C(C)=O
COc1cc(C(C)=O)ccc1OCC(=O)NC1CC1 CC(=O)[*:1] COc1cc(ccc1OCC(=O)NC1CC1)[*:1]
COc1cc(C(C)=O)ccc1OCC(=O)NC1CC1 C1CC1[*:1] COc1cc(ccc1OCC(=O)N[*:1])C(C)=O
CC(C)COc1ncc(C[NH2+]Cc2cccc3[nH]ccc23)cc1Cl CC(C)C[*:1] Clc1cc(cnc1O[*:1])C[NH2+]Cc1cccc2[nH]ccc12
CC(C)COc1ncc(C[NH2+]Cc2cccc3[nH]ccc23)cc1Cl CC(C)CO[*:1] Clc1cc(cnc1[*:1])C[NH2+]Cc1cccc2[nH]ccc12
CC(C)COc1ncc(C[NH2+]Cc2cccc3[nH]ccc23)cc1Cl CC(C)[*:1] Clc1cc(cnc1OC[*:1])C[NH2+]Cc1cccc2[nH]ccc12
Cc1ccccc1Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)CCC3 c1ccc(cc1)C[*:1] Cc1ccccc1Cn1c(=O)n(c(=O)c2c3CCCc3sc21)[*:1]
Cc1ccccc1Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)CCC3 Cc1ccccc1[*:1] O=c1c2c3CCCc3sc2n(C[*:1])c(=O)n1Cc1ccccc1
Cc1ccccc1Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)CCC3 c1ccc(cc1)[*:1] Cc1ccccc1Cn1c(=O)n(C[*:1])c(=O)c2c3CCCc3sc21
Cc1ccccc1Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)CCC3 Cc1ccccc1C[*:1] O=c1c2c3CCCc3sc2n(c(=O)n1Cc1ccccc1)[*:1]
C[C@@H](NC(=O)CCc1nc[nH]n1)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCc1nc[nH]n1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 Clc1cccc(c1Cl)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N[C@@H]1CCCOc2ccc(F)cc21
Fc1ccc(CCNCc2ccccc2-n2cccn2)c(F)c1 c1cnn(c1)[*:1] Fc1ccc(CCNCc2ccccc2[*:1])c(F)c1
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC[NH+]1CCCCC1 CS(=O)(=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)CC[NH+]1CCCCC1
CC(C)(C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 CC(C)(C)C(=O)[*:1] N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)[*:1]
CC(C)(C)C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 CC(C)(C)[*:1] N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[*:1]
O=C(CCNC(=O)c1ccc(F)cc1F)NC[C@H](O)c1ccc(F)cc1 Fc1ccc(c(F)c1)[*:1] O=C(CCNC(=O)[*:1])NC[C@H](O)c1ccc(F)cc1
O=C(CCNC(=O)c1ccc(F)cc1F)NC[C@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCNC(=O)c1ccc(F)cc1F)NC[C@H](O)[*:1]
Cc1ccc(N2C(=O)N(CC(=O)NC[C@H](c3cccs3)N3CCOCC3)C(=O)[C@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1C(=O)N(CC(=O)NC[C@H](c2cccs2)N2CCOCC2)C(=O)N1[*:1]
Cc1ccc(N2C(=O)N(CC(=O)NC[C@H](c3cccs3)N3CCOCC3)C(=O)[C@H]2C)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)N(CC(=O)NC[C@H](N2CCOCC2)[*:1])C(=O)[C@H]1C
Cc1ccc(N2C(=O)N(CC(=O)NC[C@H](c3cccs3)N3CCOCC3)C(=O)[C@H]2C)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)N1C(=O)N(CC(=O)NC[C@H](c2cccs2)[*:1])C(=O)[C@H]1C
[NH3+][C@@]1(Cc2nccs2)CCc2ccccc2C1 c1csc(n1)[*:1] [NH3+][C@]1(CCc2ccccc2C1)C[*:1]
CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 CCN(CC)S(=O)(=O)[*:1] N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[*:1]
CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]1[C@H](C#N)[*:1]
CCn1c(SCC(=O)OC)nnc1-c1ccccc1OC COC(=O)[*:1] CCn1c(nnc1-c1ccccc1OC)SC[*:1]
CCn1c(SCC(=O)OC)nnc1-c1ccccc1OC COC(=O)C[*:1] CCn1c(nnc1-c1ccccc1OC)S[*:1]
CCn1c(SCC(=O)OC)nnc1-c1ccccc1OC COC(=O)CS[*:1] CCn1c(nnc1[*:1])-c1ccccc1OC
Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1N1CCc2sccc2C1 Cc1nn(C)c(C)c1C[*:1] O=C(Nc1ccccc1N1CCc2sccc2C1)[*:1]
Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1N1CCc2sccc2C1 c1cc2CN(CCc2s1)[*:1] Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1[*:1]
Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1N1CCc2sccc2C1 Cc1nn(C)c(C)c1[*:1] O=C(C[*:1])Nc1ccccc1N1CCc2sccc2C1
O=C1C(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)=CO[C@H]2C=CC=C[C@H]12 Fc1ccccc1C[*:1] O=C1C(=CO[C@H]2C=CC=C[C@H]12)/C=C1/SC(=O)N(C1=O)[*:1]
O=C1C(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)=CO[C@H]2C=CC=C[C@H]12 Fc1ccccc1[*:1] O=C1C(=CO[C@H]2C=CC=C[C@H]12)/C=C1/SC(=O)N(C[*:1])C1=O
CC(C)C[C@@H]1C[NH+]=C(N)N1C1CCCC1 CC(C)C[*:1] NC1=[NH+]C[C@H](N1C1CCCC1)[*:1]
CC(C)C[C@@H]1C[NH+]=C(N)N1C1CCCC1 CC(C)[*:1] NC1=[NH+]C[C@@H](C[*:1])N1C1CCCC1
CC(C)C[C@@H]1C[NH+]=C(N)N1C1CCCC1 C1CCC(C1)[*:1] CC(C)C[C@@H]1C[NH+]=C(N)N1[*:1]
Cc1csc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)n1 Cc1csc(n1)S[*:1] C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[*:1]
Cc1csc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)n1 Cc1csc(n1)[*:1] C[C@@H](S[*:1])C(=O)N1CC(=O)Nc2ccccc21
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]C[C@@H]2COCCO2)C1 CC(C)(C)[*:1] O=C(N[C@@H]1CC[C@H](C1)[NH2+]C[C@@H]1COCCO1)O[*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]C[C@@H]2COCCO2)C1 C1CO[C@@H](CO1)[*:1] CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+]C[*:1]
CN(Cc1ccccc1)C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 c1ncn(n1)[*:1] CN(Cc1ccccc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[*:1]
CN(Cc1ccccc1)C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 FC(F)(F)[*:1] CN(Cc1ccccc1)C(=O)Nc1ccc(c(c1)[*:1])-n1cncn1
CN(Cc1ccccc1)C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)Nc1ccc(c(c1)C(F)(F)F)-n1cncn1
CN(Cc1ccccc1)C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 c1ccc(cc1)C[*:1] CN(C(=O)Nc1ccc(c(c1)C(F)(F)F)-n1cncn1)[*:1]
C[C@H]1Sc2nnc(-c3ccncc3)n2N=C1c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H]1Sc2nnc(-c3ccncc3)n2N=C1[*:1]
C[C@H]1Sc2nnc(-c3ccncc3)n2N=C1c1ccc(F)c(F)c1 c1cc(ccn1)[*:1] C[C@H]1Sc2nnc(n2N=C1c1ccc(F)c(F)c1)[*:1]
N#Cc1ccc(OC(F)F)cc1OC(F)F FC(F)O[*:1] N#Cc1ccc(cc1OC(F)F)[*:1]
N#Cc1ccc(OC(F)F)cc1OC(F)F FC(F)O[*:1] N#Cc1ccc(cc1[*:1])OC(F)F
N#Cc1ccc(OC(F)F)cc1OC(F)F FC(F)[*:1] N#Cc1ccc(cc1OC(F)F)O[*:1]
N#Cc1ccc(OC(F)F)cc1OC(F)F FC(F)[*:1] N#Cc1ccc(cc1O[*:1])OC(F)F
COc1cccc(CNC(=O)C[C@@H]2CSc3nc4c(cnn4-c4cccc(Cl)c4)c(=O)n32)c1 COc1cccc(c1)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)NC[*:1]
COc1cccc(CNC(=O)C[C@@H]2CSc3nc4c(cnn4-c4cccc(Cl)c4)c(=O)n32)c1 COc1cccc(c1)C[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)N[*:1]
COc1cccc(CNC(=O)C[C@@H]2CSc3nc4c(cnn4-c4cccc(Cl)c4)c(=O)n32)c1 Clc1cccc(c1)[*:1] COc1cccc(c1)CNC(=O)C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
C=CCn1c(SCc2nc3sc(C(C)=O)c(C)c3c(=O)[nH]2)nnc1-c1ccoc1C Cc1occc1[*:1] C=CCn1c(nnc1[*:1])SCc1nc2sc(C(C)=O)c(C)c2c(=O)[nH]1
C=CCn1c(SCc2nc3sc(C(C)=O)c(C)c3c(=O)[nH]2)nnc1-c1ccoc1C C=CC[*:1] CC(=O)c1sc2nc(CSc3nnc(-c4ccoc4C)n3[*:1])[nH]c(=O)c2c1C
C=CCn1c(SCc2nc3sc(C(C)=O)c(C)c3c(=O)[nH]2)nnc1-c1ccoc1C CC(=O)[*:1] C=CCn1c(nnc1-c1ccoc1C)SCc1nc2sc(c(C)c2c(=O)[nH]1)[*:1]
CCOc1ccc(C(=O)N(c2ccc(C#N)cc2)C2CC2)cc1 C1CC1[*:1] CCOc1ccc(cc1)C(=O)N(c1ccc(C#N)cc1)[*:1]
CCOc1ccc(C(=O)N(c2ccc(C#N)cc2)C2CC2)cc1 CCO[*:1] N#Cc1ccc(cc1)N(C(=O)c1ccc(cc1)[*:1])C1CC1
CCc1ccsc1CNC(=O)NCc1ccc(COC)cc1 COC[*:1] CCc1ccsc1CNC(=O)NCc1ccc(cc1)[*:1]
CCc1ccsc1CNC(=O)NCc1ccc(COC)cc1 CCc1ccsc1[*:1] COCc1ccc(cc1)CNC(=O)NC[*:1]
CC(C)(C)OC(=O)N1CC[C@H](COc2cccc3cccnc23)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H](COc2cccc3cccnc23)C1
O=C(NCC1([O-])CCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(NCC1([O-])CCC1)C1CCN(CC1)c1ccccc1[*:1]
O=S(=O)(NC[C@H](O)C1CCCCC1)c1cccc2cccnc12 C1CCC(CC1)[*:1] O=S(=O)(NC[C@H](O)[*:1])c1cccc2cccnc12
CCCC(CCC)C(=O)Nc1ccc2c(c1)C(=O)NCC2 CCCC(CCC)[*:1] O=C1NCCc2ccc(cc21)NC(=O)[*:1]
CCCC(CCC)C(=O)Nc1ccc2c(c1)C(=O)NCC2 CCC[*:1] CCCC(C(=O)Nc1ccc2CCNC(=O)c2c1)[*:1]
Cc1ccc(F)cc1NC(=O)[C@@H](C)O/N=C/c1ccccc1OC(C)C Cc1ccc(F)cc1[*:1] CC(C)Oc1ccccc1/C=N/O[C@H](C)C(=O)N[*:1]
Cc1ccc(F)cc1NC(=O)[C@@H](C)O/N=C/c1ccccc1OC(C)C CC(C)O[*:1] Cc1ccc(F)cc1NC(=O)[C@@H](C)O/N=C/c1ccccc1[*:1]
Cc1ccc(F)cc1NC(=O)[C@@H](C)O/N=C/c1ccccc1OC(C)C CC(C)[*:1] Cc1ccc(F)cc1NC(=O)[C@@H](C)O/N=C/c1ccccc1O[*:1]
C[C@H](c1cccc(Cl)c1)N(C)C(=O)CNC(=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H](c1cccc(Cl)c1)N(C)C(=O)CNC(=O)[*:1]
C[C@H](c1cccc(Cl)c1)N(C)C(=O)CNC(=O)c1ccc(F)cc1F Clc1cccc(c1)[*:1] C[C@H](N(C)C(=O)CNC(=O)c1ccc(F)cc1F)[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CC[C@H](C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 CC[C@H](C)NC(=O)[*:1] O=C(Cc1ccc(F)cc1)Nc1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1ccc(cc1)NC(=O)C[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 CC[C@H](C)[*:1] O=C(Cc1ccc(F)cc1)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(c2nc[nH]n2)CC1 CC(C)(C)[*:1] c1ccc(cc1)-n1cc(C[NH+]2CCC(CC2)c2nc[nH]n2)c(n1)[*:1]
CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(c2nc[nH]n2)CC1 c1ccc(cc1)[*:1] CC(C)(C)c1nn(cc1C[NH+]1CCC(CC1)c1nc[nH]n1)[*:1]
CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(c2nc[nH]n2)CC1 c1nc(n[nH]1)[*:1] CC(C)(C)c1nn(cc1C[NH+]1CCC(CC1)[*:1])-c1ccccc1
C[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)[C@@H](O)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)[C@@H](O)[*:1]
C[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)[C@@H](O)Cc1ccccc1 C1CC1[*:1] C[C@@H](NC(=O)c1nc(n2ccccc12)[*:1])[C@@H](O)Cc1ccccc1
C[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)[C@@H](O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)[C@@H](O)C[*:1]
COC(=O)c1ccccc1NC(=O)CN1CCN(c2ccccc2)C1=O COC(=O)[*:1] O=C(CN1CCN(C1=O)c1ccccc1)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NC(=O)CN1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)CN1CCN(C1=O)[*:1]
O=C([O-])C1(Cc2ccccc2Cl)CCN(c2ncnc3[nH]ccc23)CC1 Clc1ccccc1C[*:1] O=C([O-])C1(CCN(CC1)c1ncnc2[nH]ccc12)[*:1]
O=C([O-])C1(Cc2ccccc2Cl)CCN(c2ncnc3[nH]ccc23)CC1 Clc1ccccc1[*:1] O=C([O-])C1(CCN(CC1)c1ncnc2[nH]ccc12)C[*:1]
O=C([O-])C1(Cc2ccccc2Cl)CCN(c2ncnc3[nH]ccc23)CC1 O=C([O-])[*:1] Clc1ccccc1CC1(CCN(CC1)c1ncnc2[nH]ccc12)[*:1]
Cc1ccc([C@H]2CN(C(=O)C[C@H](O)c3ccccc3)CCO2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@H]1CN(CCO1)C(=O)C[C@H](O)[*:1]
Cc1ccc([C@H]2CN(C(=O)C[C@H](O)c3ccccc3)CCO2)o1 Cc1ccc(o1)[*:1] O=C(C[C@H](O)c1ccccc1)N1CCO[C@H](C1)[*:1]
CC(C)CCSc1ncnc2[nH]cnc12 CC(C)CC[*:1] c1nc(S[*:1])c2nc[nH]c2n1
CC(C)CCSc1ncnc2[nH]cnc12 CC(C)[*:1] c1nc(SCC[*:1])c2nc[nH]c2n1
CC(C)CCSc1ncnc2[nH]cnc12 CC(C)C[*:1] c1nc(SC[*:1])c2nc[nH]c2n1
Nc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C(=O)[O-])n1 O=C([O-])[*:1] Nc1cc(=O)[nH]c(n1)SCC(=O)Nc1ccccc1[*:1]
Cc1[nH]nc2c1[C@@H](c1ccc(C(C)C)cc1)c1c([nH]c(=O)[nH]c1=O)N2 CC(C)[*:1] Cc1[nH]nc2Nc3[nH]c(=O)[nH]c(=O)c3[C@H](c3ccc(cc3)[*:1])c21
CC(C)Oc1ccc(-c2noc(CCl)n2)cc1 CC(C)[*:1] ClCc1nc(no1)-c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(-c2noc(CCl)n2)cc1 CC(C)O[*:1] ClCc1nc(no1)-c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1ccncc1F)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@@H](NC(=O)c1ccncc1F)C(=O)N[*:1]
C[C@@H](NC(=O)c1ccncc1F)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)c1ccncc1F)C(=O)NC[*:1]
C[C@@H](NC(=O)c1ccncc1F)C(=O)NCc1ccco1 Fc1cnccc1[*:1] C[C@@H](NC(=O)[*:1])C(=O)NCc1ccco1
COC[C@@H](NC(=O)N(C)c1c(C)noc1C)c1ccc(F)c(F)c1 COC[*:1] Cc1noc(C)c1N(C)C(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COC[C@@H](NC(=O)N(C)c1c(C)noc1C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)N(C)c1c(C)noc1C)[*:1]
COC[C@@H](NC(=O)N(C)c1c(C)noc1C)c1ccc(F)c(F)c1 Cc1noc(C)c1[*:1] COC[C@@H](NC(=O)N(C)[*:1])c1ccc(F)c(F)c1
CC(C)(C)NC(=O)CSc1nnc(C(C)(C)C)n1N CC(C)(C)[*:1] CC(C)(C)NC(=O)CSc1nnc(n1N)[*:1]
CC(C)(C)NC(=O)CSc1nnc(C(C)(C)C)n1N CC(C)(C)[*:1] CC(C)(C)c1nnc(SCC(=O)N[*:1])n1N
CC(C)(CNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1)[NH+]1CCCCC1 Fc1cc(ccc1Cl)[*:1] CC(C)(CNC(=O)N[C@H](CO)[*:1])[NH+]1CCCCC1
CCn1nccc1/C=C/C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CCn1nccc1/C=C/C(=O)Nc1cnc(s1)[*:1]
CCn1nccc1/C=C/C(=O)Nc1cnc(-c2ccccc2)s1 CCn1nccc1[*:1] O=C(C=C[*:1])Nc1cnc(s1)-c1ccccc1
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)C(C)(C)C)nnc12 CC(C)(C)C(=O)[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)SC[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)C(C)(C)C)nnc12 CC(C)(C)C(=O)CS[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)C(C)(C)C)nnc12 C=CC[*:1] CC(C)(C)C(=O)CSc1nnc2n(c(=O)c3ccccc3n12)[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)C(C)(C)C)nnc12 CC(C)(C)C(=O)C[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)S[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)C(C)(C)C)nnc12 CC(C)(C)[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)SCC(=O)[*:1]
CC[C@H](C)[C@H](C(=O)Nc1nnc(C)s1)c1ccccc1 CC[C@H](C)[*:1] Cc1nnc(NC(=O)[C@H](c2ccccc2)[*:1])s1
CC[C@H](C)[C@H](C(=O)Nc1nnc(C)s1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](C(=O)Nc1nnc(C)s1)[*:1]
CC[C@H](C)[C@H](C(=O)Nc1nnc(C)s1)c1ccccc1 Cc1nnc(s1)[*:1] CC[C@H](C)[C@H](C(=O)N[*:1])c1ccccc1
COc1ccc(CCNC(=O)COc2cc(=O)n3ccccc3n2)cc1 COc1ccc(cc1)[*:1] O=C(COc1cc(=O)n2ccccc2n1)NCC[*:1]
O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc2ncsc2c1 FC(F)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[*:1])c1ccc2ncsc2c1
O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc2ncsc2c1 O=S(=O)(C(F)F)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2ncsc2c1
CC(C)[C@@](C)(C#N)NC(=O)CSc1nc([O-])c2cnn(-c3ccccc3)c2n1 CC(C)[*:1] C[C@@](C#N)(NC(=O)CSc1nc([O-])c2cnn(-c3ccccc3)c2n1)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CSc1nc([O-])c2cnn(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] CC(C)[C@@](C)(C#N)NC(=O)CSc1nc([O-])c2cnn(c2n1)[*:1]
CCOCC(=O)Nc1ccc(S(=O)(=O)/N=C(/C)[O-])cc1 CCO[*:1] C/C([O-])=N/S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
CCOCC(=O)Nc1ccc(S(=O)(=O)/N=C(/C)[O-])cc1 CCOC[*:1] C/C([O-])=N/S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@@H]([NH2+]Cc1cccc(NC(=O)N(C)C)c1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[C@@H]([NH2+]Cc1cccc(c1)NC(=O)N(C)C)[*:1]
CC[C@@H]([NH2+]Cc1cccc(NC(=O)N(C)C)c1)c1ccc(Cl)s1 CN(C)C(=O)N[*:1] CC[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1ccc(Cl)s1
COC(=O)[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccc(F)cc1F COC(=O)[*:1] O=C(N[C@H](c1ccc(F)cc1F)[*:1])[C@@H]1CCCc2sccc21
COC(=O)[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)[C@H](NC(=O)[C@@H]1CCCc2sccc21)[*:1]
C/C=C/COC(=O)C1=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1C C/C=C/C[*:1] C[C@H]1C(=NC2C[C@H](CC(=O)C=21)c1ccccc1Cl)C(=O)O[*:1]
C/C=C/COC(=O)C1=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1C CC=C[*:1] C[C@H]1C(=NC2C[C@H](CC(=O)C=21)c1ccccc1Cl)C(=O)OC[*:1]
C/C=C/COC(=O)C1=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1C Clc1ccccc1[*:1] C/C=C/COC(=O)C1=NC2C[C@@H](CC(=O)C=2[C@H]1C)[*:1]
FC(F)(F)Oc1ccccc1C[NH2+]C1CCCC1 C1CCC(C1)[*:1] FC(F)(F)Oc1ccccc1C[NH2+][*:1]
FC(F)(F)Oc1ccccc1C[NH2+]C1CCCC1 FC(F)(F)[*:1] c1ccc(O[*:1])c(c1)C[NH2+]C1CCCC1
FC(F)(F)Oc1ccccc1C[NH2+]C1CCCC1 FC(F)(F)O[*:1] c1ccc(c(c1)C[NH2+]C1CCCC1)[*:1]
CCN(CC)C(=O)C1CCN(Cc2cnc(CC(C)C)s2)CC1 CC(C)C[*:1] CCN(CC)C(=O)C1CCN(CC1)Cc1cnc(s1)[*:1]
CCN(CC)C(=O)C1CCN(Cc2cnc(CC(C)C)s2)CC1 CCN(CC)C(=O)[*:1] CC(C)Cc1ncc(CN2CCC(CC2)[*:1])s1
CCN(CC)C(=O)C1CCN(Cc2cnc(CC(C)C)s2)CC1 CC(C)[*:1] CCN(CC)C(=O)C1CCN(CC1)Cc1cnc(C[*:1])s1
C[C@H]1CN(CCCNC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C[C@@H](C)O1 Fc1ccc(cc1F)[*:1] C[C@H]1CN(CCCNC(=O)N(C)[C@@H](C)[*:1])C[C@@H](C)O1
CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N1C[C@H](C)c2ccccc21 CCS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)C(=O)N1C[C@H](C)c2ccccc21
CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N1C[C@H](C)c2ccccc21 CCS(=O)(=O)C[*:1] C[C@H]1CN(C(=O)C(=O)N[C@H](C)[*:1])c2ccccc21
CCn1ncc2c(C(=O)Nc3cc(C)ccc3C)cc(-c3cccs3)nc21 c1csc(c1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)Nc1cc(C)ccc1C
CCn1ncc2c(C(=O)Nc3cc(C)ccc3C)cc(-c3cccs3)nc21 Cc1ccc(C)c(c1)[*:1] CCn1ncc2c(cc(nc21)-c1cccs1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)NC(=O)n2cc(-c3ccnc4ccccc34)c(-c3ccccn3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(NS(=O)(=O)[*:1])n1cc(c(n1)-c1ccccn1)-c1ccnc2ccccc12
Cc1ccc(S(=O)(=O)NC(=O)n2cc(-c3ccnc4ccccc34)c(-c3ccccn3)n2)cc1 c1ccc2c(ccnc2c1)[*:1] Cc1ccc(cc1)S(=O)(=O)NC(=O)n1cc(c(n1)-c1ccccn1)[*:1]
Cc1ccc(S(=O)(=O)NC(=O)n2cc(-c3ccnc4ccccc34)c(-c3ccccn3)n2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)S(=O)(=O)NC(=O)n1cc(c(n1)[*:1])-c1ccnc2ccccc12
CCCC(=O)Nc1ccc(/N=C/c2ccccc2)cc1 CCCC(=O)N[*:1] C(=N/c1ccc(cc1)[*:1])\c1ccccc1
CCCC(=O)Nc1ccc(/N=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] CCCC(=O)Nc1ccc(cc1)N=C[*:1]
CCCC(=O)Nc1ccc(/N=C/c2ccccc2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)/N=C/c1ccccc1)[*:1]
COCCn1c(S[C@H]2CCCCC2=O)nc2ccc(Br)cc2c1=O COCC[*:1] O=C1CCCC[C@@H]1Sc1nc2ccc(Br)cc2c(=O)n1[*:1]
COCCn1c(S[C@H]2CCCCC2=O)nc2ccc(Br)cc2c1=O COC[*:1] O=C1CCCC[C@@H]1Sc1nc2ccc(Br)cc2c(=O)n1C[*:1]
COc1ccc(Cn2ccc3c(cnc4nc(-c5ccc6c(c5)OCCCO6)nn43)c2=O)cc1 COc1ccc(cc1)C[*:1] O=c1c2cnc3nc(nn3c2ccn1[*:1])-c1ccc2OCCCOc2c1
COc1ccc(Cn2ccc3c(cnc4nc(-c5ccc6c(c5)OCCCO6)nn43)c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c2cnc3nc(nn3c2ccn1C[*:1])-c1ccc2OCCCOc2c1
COc1ccc(Cn2ccc3c(cnc4nc(-c5ccc6c(c5)OCCCO6)nn43)c2=O)cc1 c1cc2OCCCOc2cc1[*:1] COc1ccc(cc1)Cn1ccc2c(cnc3nc(nn32)[*:1])c1=O
Cn1cccc1C(=O)N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 Cn1cccc1[*:1] O=C(N1CCCN(CC1)c1[nH]c2ccccc2[nH+]1)[*:1]
COc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1[O-] c1ccc(cc1)[*:1] COc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[C@H](C)[*:1]
COc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1[O-] COc1ccccc1[*:1] Cc1c(C(=O)CO[*:1])c([O-])n(c(=O)c1C#N)[C@H](C)c1ccccc1
COc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1[O-] COc1ccccc1OC[*:1] Cc1c(C(=O)[*:1])c([O-])n(c(=O)c1C#N)[C@H](C)c1ccccc1
COc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1[O-] COc1ccccc1O[*:1] Cc1c(C(=O)C[*:1])c([O-])n(c(=O)c1C#N)[C@H](C)c1ccccc1
C[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCCc1ccc(F)cc1F)Nc1cccc(NC(=O)c2ccccc2)c1 O=C(N[*:1])c1ccccc1 O=C(NCCc1ccc(F)cc1F)Nc1cccc(c1)[*:1]
O=C(NCCc1ccc(F)cc1F)Nc1cccc(NC(=O)c2ccccc2)c1 Fc1ccc(C[*:1])c(F)c1 O=C(NC[*:1])Nc1cccc(c1)NC(=O)c1ccccc1
O=C(NCCc1ccc(F)cc1F)Nc1cccc(NC(=O)c2ccccc2)c1 Fc1ccc(c(F)c1)[*:1] O=C(NCC[*:1])Nc1cccc(c1)NC(=O)c1ccccc1
O=C(NCCc1ccc(F)cc1F)Nc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NCCc1ccc(F)cc1F)Nc1cccc(c1)NC(=O)[*:1]
Nc1ccc([C@@H](O)[C@H](CO)NC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] Nc1ccc(cc1)[C@@H](O)[C@H](CO)NC(=O)[*:1]
Nc1ccc([C@@H](O)[C@H](CO)NC(=O)c2ccccc2Cl)cc1 Nc1ccc(cc1)[*:1] O=C(N[C@@H](CO)[C@H](O)[*:1])c1ccccc1Cl
Cc1ccc(Nc2nc(-c3ccccc3)cs2)nc1 c1ccc(cc1)[*:1] Cc1ccc(nc1)Nc1nc(cs1)[*:1]
CCC[C@@H]1CN(Cc2cc(C)n(CCOC)c2C)CC[NH2+]1 COC[*:1] CCC[C@@H]1CN(CC[NH2+]1)Cc1cc(C)n(C[*:1])c1C
CCC[C@@H]1CN(Cc2cc(C)n(CCOC)c2C)CC[NH2+]1 CCC[*:1] COCCn1c(C)cc(CN2CC[NH2+][C@@H](C2)[*:1])c1C
CCC[C@@H]1CN(Cc2cc(C)n(CCOC)c2C)CC[NH2+]1 COCC[*:1] CCC[C@@H]1CN(CC[NH2+]1)Cc1cc(C)n(c1C)[*:1]
CCOC(=O)c1cnc2sc3cc(OC)ccc3n2c1=O CCOC(=O)[*:1] COc1ccc2c(c1)sc1ncc(c(=O)n12)[*:1]
CCN(C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)c(F)c1)[*:1]
CCN(C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 Fc1ccc(cc1F)[*:1] CCN(C(=O)[C@@H](C)S(=O)(=O)[*:1])c1ccccc1
CN(C)C(=O)c1ccc(CSc2nncn2C2CC2)cc1 C1CC1[*:1] CN(C)C(=O)c1ccc(cc1)CSc1nncn1[*:1]
CN(C)C(=O)c1ccc(CSc2nncn2C2CC2)cc1 CN(C)C(=O)[*:1] c1cc(ccc1CSc1nncn1C1CC1)[*:1]
Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN2C(=O)C2CCOCC2)n1 c1ccc(nc1)[*:1] Cc1nc(cc(n1)[C@@H]1CCCN1C(=O)C1CCOCC1)N[*:1]
Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN2C(=O)C2CCOCC2)n1 c1ccc(nc1)N[*:1] Cc1nc(cc(n1)[*:1])[C@@H]1CCCN1C(=O)C1CCOCC1
Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN2C(=O)C2CCOCC2)n1 C1CC(CCO1)[*:1] Cc1nc(cc(n1)[C@@H]1CCCN1C(=O)[*:1])Nc1ccccn1
CC1=C(C)C[C@H](C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC1C[C@H](C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)[C@@H](CC=1C)[*:1]
CC1=C(C)C[C@H](C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)[C@@H](C(=O)[O-])C1 Cc1ccc(cc1)[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)C(=O)Nc1nc(c(C)s1)[*:1]
Cc1ccc(C)c(OCn2ccc(C(=O)N3CC[NH+](Cc4c(F)cccc4Cl)CC3)n2)c1 Cc1ccc(C)c(c1)O[*:1] O=C(c1ccn(C[*:1])n1)N1CC[NH+](CC1)Cc1c(F)cccc1Cl
Cc1ccc(C)c(OCn2ccc(C(=O)N3CC[NH+](Cc4c(F)cccc4Cl)CC3)n2)c1 Fc1cccc(Cl)c1[*:1] Cc1ccc(C)c(c1)OCn1ccc(n1)C(=O)N1CC[NH+](CC1)C[*:1]
Cc1ccc(C)c(OCn2ccc(C(=O)N3CC[NH+](Cc4c(F)cccc4Cl)CC3)n2)c1 Cc1ccc(C)c(c1)OC[*:1] O=C(c1ccn(n1)[*:1])N1CC[NH+](CC1)Cc1c(F)cccc1Cl
Cc1ccc(C)c(OCn2ccc(C(=O)N3CC[NH+](Cc4c(F)cccc4Cl)CC3)n2)c1 Fc1cccc(Cl)c1C[*:1] Cc1ccc(C)c(c1)OCn1ccc(n1)C(=O)N1CC[NH+](CC1)[*:1]
Cc1ccc(C)c(OCn2ccc(C(=O)N3CC[NH+](Cc4c(F)cccc4Cl)CC3)n2)c1 Cc1ccc(C)c(c1)[*:1] O=C(c1ccn(CO[*:1])n1)N1CC[NH+](CC1)Cc1c(F)cccc1Cl
COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)c1 COc1ccc(OC)c(c1)[*:1] O=C1C[C@@H](CN1[*:1])c1nc2ccccc2n1Cc1cccc(Cl)c1
COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)c1 Clc1cccc(c1)[*:1] COc1ccc(OC)c(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)c1 Clc1cccc(c1)C[*:1] COc1ccc(OC)c(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
CC[C@@H](C)NC(=O)CCCc1nc2ccccc2s1 CC[C@@H](C)[*:1] O=C(CCCc1nc2ccccc2s1)N[*:1]
N#Cc1ccccc1NC(=O)C[NH+]1CCN(Cc2ccccc2)CC1 N#Cc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)Cc1ccccc1)N[*:1]
N#Cc1ccccc1NC(=O)C[NH+]1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] N#Cc1ccccc1NC(=O)C[NH+]1CCN(CC1)C[*:1]
N#Cc1ccccc1NC(=O)C[NH+]1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] N#Cc1ccccc1NC(=O)C[NH+]1CCN(CC1)[*:1]
COc1ccc(C(=O)N=c2c(C#N)cc3c(=O)n4cccc(C)c4nc3n2C(C)C)cc1OC COc1ccc(cc1OC)[*:1] Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)[*:1])n(c3nc12)C(C)C
COc1ccc(C(=O)N=c2c(C#N)cc3c(=O)n4cccc(C)c4nc3n2C(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)C(=O)N=c1c(C#N)cc2c(=O)n3cccc(C)c3nc2n1[*:1]
N#CCS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] N#CCS[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1[*:1]
N#CCS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] N#CCS[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1C[*:1]
N#CCS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C[C@@H]1CCCO1 N#CCS[*:1] c1ccc2=C(C[NH+]=c2c1)C1=NN[C@@H](N1C[C@@H]1CCCO1)[*:1]
N#CCS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C[C@@H]1CCCO1 N#CC[*:1] c1ccc2=C(C[NH+]=c2c1)C1=NN[C@H](S[*:1])N1C[C@@H]1CCCO1
Cc1ccccc1CNC(=O)[C@H](CC(C)C)NC(N)=O CC(C)[*:1] Cc1ccccc1CNC(=O)[C@H](C[*:1])NC(N)=O
Cc1ccccc1CNC(=O)[C@H](CC(C)C)NC(N)=O NC(=O)N[*:1] Cc1ccccc1CNC(=O)[C@H](CC(C)C)[*:1]
Cc1ccccc1CNC(=O)[C@H](CC(C)C)NC(N)=O CC(C)C[*:1] Cc1ccccc1CNC(=O)[C@H](NC(N)=O)[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)C2CCN(c3cnccn3)CC2)CC1 CC(C)(C)[*:1] O=C(NC1CCC(CC1)C(=O)O[*:1])C1CCN(CC1)c1cnccn1
CC(C)(C)OC(=O)C1CCC(NC(=O)C2CCN(c3cnccn3)CC2)CC1 c1cnc(cn1)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)C1CCN(CC1)[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)C2CCN(c3cnccn3)CC2)CC1 CC(C)(C)OC(=O)[*:1] O=C(NC1CCC(CC1)[*:1])C1CCN(CC1)c1cnccn1
CNC(=O)[C@H](C)CN(C)C(=O)[C@@]1(C)CC1(Cl)Cl CNC(=O)[*:1] C[C@H](CN(C)C(=O)[C@@]1(C)CC1(Cl)Cl)[*:1]
CC[C@@](C)([NH3+])c1nc(C2CC2)nn1C C1CC1[*:1] CC[C@@](C)([NH3+])c1nc(nn1C)[*:1]
Cc1cccc(N[C@H](C)C(=O)NC2(C#N)CCCCC2)c1 Cc1cccc(c1)[*:1] C[C@@H](N[*:1])C(=O)NC1(C#N)CCCCC1
CCCn1cc(-c2ccncc2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] CCCn1cc(cc1[*:1])-c1ccncc1
CCCn1cc(-c2ccncc2)cc1C(=O)N(C)C c1cc(ccn1)[*:1] CCCn1cc(cc1C(=O)N(C)C)[*:1]
CCCn1cc(-c2ccncc2)cc1C(=O)N(C)C CCC[*:1] CN(C)C(=O)c1cc(cn1[*:1])-c1ccncc1
CCOc1ncccc1C(=O)O[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 CCOc1ncccc1[*:1] C[C@H](OC(=O)[*:1])C(=O)N[C@@H]1CCOc2ccccc21
CCOc1ncccc1C(=O)O[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 CCO[*:1] C[C@H](OC(=O)c1cccnc1[*:1])C(=O)N[C@@H]1CCOc2ccccc21
O=C1C[C@@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CN1CC(F)(F)F FC(F)(F)[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCC[C@@H](C1)n1cc[nH+]c1
O=C1C[C@@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CN1CC(F)(F)F FC(F)(F)C[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC[C@@H](C1)n1cc[nH+]c1
CCc1sc(C(=O)Nc2ccc(OC(F)F)cc2)cc1C FC(F)[*:1] CCc1sc(cc1C)C(=O)Nc1ccc(cc1)O[*:1]
CCc1sc(C(=O)Nc2ccc(OC(F)F)cc2)cc1C FC(F)O[*:1] CCc1sc(cc1C)C(=O)Nc1ccc(cc1)[*:1]
CC[C@](C)(C#N)[C@H](O)C(=O)OC COC(=O)[*:1] CC[C@](C)(C#N)[C@H](O)[*:1]
CC(C)[NH+]1CCCN(C(=O)c2cc3ccccc3cc2OC(F)F)CC1 FC(F)O[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)c1cc2ccccc2cc1[*:1]
CC(C)[NH+]1CCCN(C(=O)c2cc3ccccc3cc2OC(F)F)CC1 CC(C)[*:1] O=C(c1cc2ccccc2cc1OC(F)F)N1CCC[NH+](CC1)[*:1]
CC(C)[NH+]1CCCN(C(=O)c2cc3ccccc3cc2OC(F)F)CC1 FC(F)[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)c1cc2ccccc2cc1O[*:1]
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cnc2c(C)cccn2c1=O COC(=O)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N[C@H]1CCCCC[C@H]1[*:1]
N#Cc1cccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c1 N#Cc1cccc(c1)[*:1] O=C(CNc1ccccc1C(=O)NCc1ccco1)N[*:1]
N#Cc1cccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c1 O=C(NCc1ccco1)[*:1] N#Cc1cccc(c1)NC(=O)CNc1ccccc1[*:1]
N#Cc1cccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] N#Cc1cccc(c1)NC(=O)CNc1ccccc1C(=O)N[*:1]
N#Cc1cccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] N#Cc1cccc(c1)NC(=O)CNc1ccccc1C(=O)NC[*:1]
C[NH+](C/C([O-])=N/c1nncs1)Cc1ccccc1Cl c1nnc(s1)[*:1] C[NH+](CC([O-])=N[*:1])Cc1ccccc1Cl
COCC[NH2+]C[C@@H](C)c1cc(Cl)ccc1Cl COC[*:1] C[C@H](C[NH2+]C[*:1])c1cc(Cl)ccc1Cl
COCC[NH2+]C[C@@H](C)c1cc(Cl)ccc1Cl COCC[*:1] C[C@H](C[NH2+][*:1])c1cc(Cl)ccc1Cl
CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccncc1Cl)C1CC1 Clc1cnccc1[*:1] CC(C)(C)OC(=O)NC[C@](C)(NC(=O)[*:1])C1CC1
CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccncc1Cl)C1CC1 C1CC1[*:1] CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccncc1Cl)[*:1]
CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccncc1Cl)C1CC1 CC(C)(C)[*:1] C[C@@](CNC(=O)O[*:1])(NC(=O)c1ccncc1Cl)C1CC1
CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccncc1Cl)C1CC1 CC(C)(C)OC(=O)N[*:1] C[C@@](C[*:1])(NC(=O)c1ccncc1Cl)C1CC1
Cc1cc(C(=O)[C@@H](C)S[C@H](C)[C@@H](C)O)c(C)n1Cc1ccco1 C[C@@H](O)[*:1] Cc1cc(C(=O)[C@@H](C)S[C@H](C)[*:1])c(C)n1Cc1ccco1
Cc1cc(C(=O)[C@@H](C)S[C@H](C)[C@@H](C)O)c(C)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1cc(C(=O)[C@@H](C)S[C@H](C)[C@@H](C)O)c(C)n1[*:1]
Cc1cc(C(=O)[C@@H](C)S[C@H](C)[C@@H](C)O)c(C)n1Cc1ccco1 c1coc(c1)[*:1] Cc1cc(C(=O)[C@@H](C)S[C@H](C)[C@@H](C)O)c(C)n1C[*:1]
CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H](C)c3n[nH]c(=O)[nH]3)cnn2c1 O=c1[nH]nc([nH]1)[*:1] CC[NH+](CC)Cc1cnc2c(cnn2c1)C(=O)N[C@H](C)[*:1]
CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H](C)c3n[nH]c(=O)[nH]3)cnn2c1 C[C@H](c1n[nH]c(=O)[nH]1)[*:1] CC[NH+](CC)Cc1cnc2c(cnn2c1)C(=O)N[*:1]
CCSCc1cccc(NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)c1 CCS[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cccc(c1)C[*:1]
CCSCc1cccc(NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)c1 Cc1n[nH]c(C)c1[*:1] CCSCc1cccc(c1)NC(=O)[C@@H](C)C[*:1]
CCSCc1cccc(NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)c1 CCSC[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C(=O)Nc2ccccc2[C@H]2[NH+]=c3ccccc3=[NH+]C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C1[NH+]=c2ccccc2=[NH+][C@@H]1c1ccccc1NC(=O)[*:1]
N/N=C(\Cc1nc2ccccc2[nH]1)c1ccccc1 c1ccc(cc1)[*:1] NN=C(Cc1nc2ccccc2[nH]1)[*:1]
CCOc1ccc(CN2CCC[C@H](c3nnc4ccccn34)C2)nc1 CCO[*:1] c1ccn2c(nnc2c1)[C@H]1CCCN(Cc2ccc(cn2)[*:1])C1
O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)C1CC1 O=S1(=O)CCC(CC1)[*:1] O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[*:1])C1CC1
O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)C1CC1 C1CC1[*:1] O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)[*:1]
O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)C1CC1 O=[N+]([O-])[*:1] O=S1(=O)CCC(CC1)C[NH2+][C@@H](Cc1ccccc1[*:1])C1CC1
Cc1ccc(NC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)cc1C OC[C@@H](O)[*:1] Cc1ccc(cc1C)NC(=O)[C@@H](O)[C@@H](O)[*:1]
COc1cccc(NC(=O)C[NH+]2CCC(c3nnc(-c4ccco4)o3)CC2)c1 c1coc(c1)[*:1] COc1cccc(c1)NC(=O)C[NH+]1CCC(CC1)c1nnc(o1)[*:1]
COc1cccc(NC(=O)C[NH+]2CCC(c3nnc(-c4ccco4)o3)CC2)c1 COc1cccc(c1)[*:1] O=C(C[NH+]1CCC(CC1)c1nnc(o1)-c1ccco1)N[*:1]
Cc1nc(C2CC2)nc(Cl)c1F C1CC1[*:1] Cc1nc(nc(Cl)c1F)[*:1]
CC[C@H]1CCC[C@@H]([NH2+]CCCC(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] CC[C@H]1CCC[C@H](CC1)[NH2+]CCC[*:1]
CC[C@H]1CCC[C@@H]([NH2+]CCCC(=O)NC2CC2)CC1 C1CC1[*:1] CC[C@H]1CCC[C@H](CC1)[NH2+]CCCC(=O)N[*:1]
COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc(OC)c1OC CC(C)[*:1] COc1cc(cc(OC)c1OC)[C@H]1C(C(=O)O[*:1])=C(C)NC2CCCC(=O)C=21
COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc(OC)c1OC CC(C)OC(=O)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
COCc1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 FC(F)(F)[*:1] COCc1nn2c(nnc2s1)-c1ccc(cc1)[*:1]
COCc1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 COC[*:1] FC(F)(F)c1ccc(cc1)-c1nnc2sc(nn12)[*:1]
N/C(=N/OC(=O)Nc1csc(-c2cccc(Cl)c2Cl)n1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N/C(=N/OC(=O)Nc1csc(n1)-c1cccc(Cl)c1Cl)[*:1]
N/C(=N/OC(=O)Nc1csc(-c2cccc(Cl)c2Cl)n1)c1ccc(Cl)cc1 Clc1cccc(c1Cl)[*:1] N/C(=N/OC(=O)Nc1csc(n1)[*:1])c1ccc(Cl)cc1
CC(=O)N1CCCc2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc21 O=[N+]([O-])[*:1] CC(=O)N1CCCc2cc(ccc21)NC(=O)c1ccc(c(C)c1)[*:1]
CC[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)c1c(C)nn(C)c1C Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)CCC(=O)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[*:1]
CCNC(=O)[C@H](C)n1c([C@@H](C)Cl)nc2cc(C)cnc21 CCNC(=O)[*:1] Cc1cnc2c(c1)nc([C@@H](C)Cl)n2[C@@H](C)[*:1]
CCNC(=O)[C@H](C)n1c([C@@H](C)Cl)nc2cc(C)cnc21 C[C@@H](Cl)[*:1] CCNC(=O)[C@H](C)n1c(nc2cc(C)cnc21)[*:1]
C[C@H](COc1ccccc1)OC(=O)[C@H]1CCCN1C(=O)c1ccco1 c1ccc(cc1)OC[*:1] C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccco1)[*:1]
C[C@H](COc1ccccc1)OC(=O)[C@H]1CCCN1C(=O)c1ccco1 c1coc(c1)[*:1] C[C@H](COc1ccccc1)OC(=O)[C@H]1CCCN1C(=O)[*:1]
C[C@H](COc1ccccc1)OC(=O)[C@H]1CCCN1C(=O)c1ccco1 c1ccc(cc1)O[*:1] C[C@H](C[*:1])OC(=O)[C@H]1CCCN1C(=O)c1ccco1
C[C@H](COc1ccccc1)OC(=O)[C@H]1CCCN1C(=O)c1ccco1 c1ccc(cc1)[*:1] C[C@H](CO[*:1])OC(=O)[C@H]1CCCN1C(=O)c1ccco1
CCC[C@@H](NC(N)=O)C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 NC(=O)N[*:1] CCC[C@@H](C(=O)Nc1ccc(F)c(c1)-c1nnc2CCCCCn21)[*:1]
CCC[C@@H](NC(N)=O)C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 CCC[*:1] NC(=O)N[C@@H](C(=O)Nc1ccc(F)c(c1)-c1nnc2CCCCCn21)[*:1]
CO[C@@H](C)COC(=O)c1nc(C2CC2)n2ccccc12 CO[C@@H](C)[*:1] O=C(OC[*:1])c1nc(C2CC2)n2ccccc12
CO[C@@H](C)COC(=O)c1nc(C2CC2)n2ccccc12 CO[C@@H](C)C[*:1] O=C(O[*:1])c1nc(C2CC2)n2ccccc12
CO[C@@H](C)COC(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] CO[C@@H](C)COC(=O)c1nc(n2ccccc12)[*:1]
Cc1cccc(OCC(=O)Nc2cccc3c2CCCC3)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])Nc1cccc2CCCCc21
CC1CCN(S(=O)(=O)c2ccccc2-c2ccno2)CC1 c1cc(on1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
Cc1ccc(F)cc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 Cc1ccc(F)cc1N[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1
Cc1ccc(F)cc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 Cc1ccc(F)cc1[*:1] O=C(CN[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1
Cc1ccc(F)cc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 Cc1ccc(F)cc1NC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1)[*:1]
Cc1ccc(F)cc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 c1cc2CCCc2cc1[*:1] Cc1ccc(F)cc1NCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(CC#N)cc1 N#CC[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(cc1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc(CC#N)cc1 Cc1ccccc1[*:1] C[C@H](NC(=O)[C@@H](C)Nc1ccc(cc1)CC#N)[*:1]
CC(=O)NCCNC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 CC(=O)N[*:1] CN1C(=O)[C@](CC(=O)NCC[*:1])(Cc2ccccc2)c2ccccc21
CC(=O)NCCNC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 c1ccc(cc1)[*:1] CC(=O)NCCNC(=O)C[C@]1(C[*:1])C(=O)N(C)c2ccccc21
CC(=O)NCCNC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 c1ccc(cc1)C[*:1] CC(=O)NCCNC(=O)C[C@@]1(C(=O)N(C)c2ccccc21)[*:1]
CC(=O)NCCNC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 CC(=O)NCCNC(=O)[*:1] CN1C(=O)[C@@](Cc2ccccc2)(C[*:1])c2ccccc21
CC(=O)NCCNC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 CC(=O)NCC[*:1] CN1C(=O)[C@](CC(=O)N[*:1])(Cc2ccccc2)c2ccccc21
CC(=O)NCCNC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 CC(=O)NC[*:1] CN1C(=O)[C@](CC(=O)NC[*:1])(Cc2ccccc2)c2ccccc21
COC(=O)[C@]1(NC(C)C)CC[C@@H](Sc2nc(C)n[nH]2)C1 CC(C)[*:1] COC(=O)[C@@]1(CC[C@H](C1)Sc1nc(C)n[nH]1)N[*:1]
COC(=O)[C@]1(NC(C)C)CC[C@@H](Sc2nc(C)n[nH]2)C1 CC(C)N[*:1] COC(=O)[C@@]1(CC[C@H](C1)Sc1nc(C)n[nH]1)[*:1]
COC(=O)[C@]1(NC(C)C)CC[C@@H](Sc2nc(C)n[nH]2)C1 COC(=O)[*:1] Cc1n[nH]c(n1)S[C@@H]1CC[C@](C1)(NC(C)C)[*:1]
COC(=O)[C@]1(NC(C)C)CC[C@@H](Sc2nc(C)n[nH]2)C1 Cc1n[nH]c(n1)[*:1] COC(=O)[C@@]1(CC[C@H](C1)S[*:1])NC(C)C
CC(C)[C@@H](C)[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C)[NH2+][C@H](C)[C@H](OC1CCOCC1)[*:1]
CC(C)[C@@H](C)[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 CC(C)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])[C@H](OC1CCOCC1)c1ccccc1
CC(C)[C@@H](C)[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 C1CC(CCO1)O[*:1] CC(C)[C@@H](C)[NH2+][C@H](C)[C@H](c1ccccc1)[*:1]
CC(C)[C@@H](C)[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 C1CC(CCO1)[*:1] CC(C)[C@@H](C)[NH2+][C@H](C)[C@H](O[*:1])c1ccccc1
C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2c2ccc[nH]2)CN1c1ccccc1 c1c[nH]c(c1)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)N1CCC[C@H]1[*:1]
C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2c2ccc[nH]2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)N1CCC[C@@H]1c1ccc[nH]1
C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1cccc(C#N)c1 Fc1ccccc1[*:1] C[C@@H](NC(=O)c1cnc(s1)[*:1])c1cccc(C#N)c1
C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](NC(=O)c1cnc(s1)-c1ccccc1F)[*:1]
Cc1ccc(NCC(=O)n2nc(C)c(CC(C)C)c2C)c(C)c1 CC(C)C[*:1] Cc1ccc(NCC(=O)n2nc(C)c(c2C)[*:1])c(C)c1
Cc1ccc(NCC(=O)n2nc(C)c(CC(C)C)c2C)c(C)c1 CC(C)[*:1] Cc1ccc(NCC(=O)n2nc(C)c(C[*:1])c2C)c(C)c1
COc1ccc(-c2csc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1csc(n1)[*:1]
O=C(Nc1cnc(-c2ccccc2)nc1)[C@@H]1CC=CCC1 c1ccc(cc1)[*:1] O=C(Nc1cnc(nc1)[*:1])[C@@H]1CC=CCC1
CS[C@@H]1CS(=O)(=O)C/C1=N\OC(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CS[C@@H]1CS(=O)(=O)C/C1=N\OC(=O)N[*:1]
CC(C)Oc1ccc([C@@H](C)[C@H](C)O)cc1 CC(C)[*:1] C[C@H](O)[C@H](C)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@@H](C)[C@H](C)O)cc1 C[C@H](O)[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)[*:1]
CC(C)Oc1ccc([C@@H](C)[C@H](C)O)cc1 CC(C)O[*:1] C[C@H](O)[C@H](C)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@@H](C)[C@H](C)O)cc1 C[C@H](O)[C@H](C)[*:1] CC(C)Oc1ccc(cc1)[*:1]
CCOc1ccc(C(=O)Cl)cc1OCC O=C(Cl)[*:1] CCOc1ccc(cc1OCC)[*:1]
CCOc1ccc(C(=O)Cl)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)Cl
CCOc1ccc(C(=O)Cl)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)Cl
CC(C)(C)c1ccc2c(c1)C[C@@H](CNC(=O)c1c(F)cccc1F)O2 CC(C)(C)[*:1] O=C(NC[C@@H]1Cc2cc(ccc2O1)[*:1])c1c(F)cccc1F
CC(C)(C)c1ccc2c(c1)C[C@@H](CNC(=O)c1c(F)cccc1F)O2 Fc1cccc(F)c1[*:1] CC(C)(C)c1ccc2O[C@H](CNC(=O)[*:1])Cc2c1
CN(C(=O)c1ccccc1Cl)C1CCC2(CC1)OCCO2 Clc1ccccc1[*:1] CN(C(=O)[*:1])C1CCC2(CC1)OCCO2
O=C(NCc1cc(F)ccc1F)N1CCC[C@@H](CCO)C1 OCC[*:1] O=C(NCc1cc(F)ccc1F)N1CCC[C@@H](C1)[*:1]
CCN(C(=O)c1cccc2cc[nH]c12)[C@@H](C)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCN(C(=O)c1cccc2cc[nH]c12)[C@@H](C)[*:1]
Cc1cccc([C@@H](NS(=O)(=O)CC2CCC2)c2ccccn2)c1 C1CC(C1)[*:1] Cc1cccc(c1)[C@@H](NS(=O)(=O)C[*:1])c1ccccn1
Cc1cccc([C@@H](NS(=O)(=O)CC2CCC2)c2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)[C@@H](NS(=O)(=O)CC1CCC1)[*:1]
Cc1cccc([C@@H](NS(=O)(=O)CC2CCC2)c2ccccn2)c1 C1CC(C1)C[*:1] Cc1cccc(c1)[C@@H](NS(=O)(=O)[*:1])c1ccccn1
Cc1cccc([C@@H](NS(=O)(=O)CC2CCC2)c2ccccn2)c1 Cc1cccc(c1)[*:1] O=S(=O)(CC1CCC1)N[C@@H](c1ccccn1)[*:1]
Cc1oc(C(=O)NCc2cc[nH]n2)cc1S(=O)(=O)N(C)C c1cc(C[*:1])n[nH]1 Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)N[*:1]
Cc1oc(C(=O)NCc2cc[nH]n2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)NCc1cc[nH]n1
Cc1oc(C(=O)NCc2cc[nH]n2)cc1S(=O)(=O)N(C)C c1cc(n[nH]1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)NC[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)C(=O)NC[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)C(=O)N[*:1]
O[C@@H](C[C@H]1CCCc2ccccc21)c1c[nH+]cn1C1CC1 C1CC1[*:1] O[C@@H](C[C@H]1CCCc2ccccc21)c1c[nH+]cn1[*:1]
COC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(C)(=O)=O)CC2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)N2CCN(CC2)S(C)(=O)=O)c(C)c1[*:1]
CC(C)NC(=O)c1cc2ccc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2oc1=O O=[N+]([O-])c1cccc(c1)[*:1] CC(C)NC(=O)c1cc2ccc(cc2oc1=O)OC(=O)C=C[*:1]
CC(C)NC(=O)c1cc2ccc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2oc1=O O=[N+]([O-])[*:1] CC(C)NC(=O)c1cc2ccc(cc2oc1=O)OC(=O)/C=C/c1cccc(c1)[*:1]
CC(C)NC(=O)c1cc2ccc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2oc1=O CC(C)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])Oc1ccc2cc(C(=O)N[*:1])c(=O)oc2c1
CC(C)NC(=O)c1cc2ccc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2oc1=O CC(C)NC(=O)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])Oc1ccc2cc(c(=O)oc2c1)[*:1]
CCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)C[C@H](O)C3CC3)cc(C3CC3)nc21 C1CC1[*:1] CCn1c(=O)[nH]c(=O)c2c(cc(nc21)[*:1])C(=O)N(C)C[C@H](O)C1CC1
CCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)C[C@H](O)C3CC3)cc(C3CC3)nc21 C1CC1[*:1] CCn1c(=O)[nH]c(=O)c2c(cc(nc21)C1CC1)C(=O)N(C)C[C@H](O)[*:1]
COc1ccc(-c2noc(CCC(=O)N[C@H]3CCC[C@@H](C)C3)n2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)CCc1nc(no1)[*:1]
CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12 CCC[*:1] Cn1c(=O)c2c(n(C)c1=O)n1c(nnc1n2C[*:1])-c1ccc(Cl)cc1
CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12 CCCC[*:1] Cn1c(=O)c2c(n(C)c1=O)n1c(nnc1n2[*:1])-c1ccc(Cl)cc1
CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12 Clc1ccc(cc1)[*:1] CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(nnc12)[*:1]
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccc(O)c1)c1c(ccc3ccccc13)N2 c1coc(c1)[*:1] O=C1C[C@H](CC2Nc3ccc4ccccc4c3[C@@H](C=21)c1cccc(O)c1)[*:1]
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccc(O)c1)c1c(ccc3ccccc13)N2 Oc1cccc(c1)[*:1] O=C1C[C@@H](CC2Nc3ccc4ccccc4c3[C@H](C=21)[*:1])c1ccco1
COc1ccc(OC)c(N2C(SCC(=O)N(C)C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 CN(C)C(=O)[*:1] COc1ccc(OC)c(c1)N1C(=N[C@@H]2CS(=O)(=O)C[C@@H]21)SC[*:1]
COc1ccc(OC)c(N2C(SCC(=O)N(C)C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 CN(C)C(=O)C[*:1] COc1ccc(OC)c(c1)N1C(=N[C@@H]2CS(=O)(=O)C[C@@H]21)S[*:1]
Cc1cnc(-c2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C(C)C)c2)o1 CC(C)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cc1cnc(-c2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C(C)C)c2)o1 Cc1cnc(o1)[*:1] CC(C)[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
CN(Cc1ccccc1)C(=O)c1ccc2[nH]nnc2c1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc2[nH]nnc2c1
CCn1nc(C(=O)NNC(=O)CCC2CCCC2)c2ccccc2c1=O C1CCC(C1)CC[*:1] CCn1nc(C(=O)NNC(=O)[*:1])c2ccccc2c1=O
CCn1nc(C(=O)NNC(=O)CCC2CCCC2)c2ccccc2c1=O C1CCC(C1)C[*:1] CCn1nc(C(=O)NNC(=O)C[*:1])c2ccccc2c1=O
CCn1nc(C(=O)NNC(=O)CCC2CCCC2)c2ccccc2c1=O C1CCC(C1)[*:1] CCn1nc(C(=O)NNC(=O)CC[*:1])c2ccccc2c1=O
COCC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 Cn1cc(cn1)[*:1] COCC[NH2+]C[C@@H]1CCCO[C@@H]1[*:1]
COCC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 COC[*:1] Cn1cc(cn1)[C@@H]1OCCC[C@H]1C[NH2+]C[*:1]
COCC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 COCC[*:1] Cn1cc(cn1)[C@@H]1OCCC[C@H]1C[NH2+][*:1]
CN1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 O=[N+]([O-])[*:1] CN1CC[NH+](CC(=O)N(C)c2ccc(cc2)[*:1])Cc2ccccc21
CCOc1c(F)cccc1C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] CCOc1c(F)cccc1C(=O)N[C@@H](C[*:1])c1ccccc1
CCOc1c(F)cccc1C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 C1CN(CCO1)C[*:1] CCOc1c(F)cccc1C(=O)N[C@@H](c1ccccc1)[*:1]
CCOc1c(F)cccc1C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CCOc1c(F)cccc1C(=O)N[C@@H](CN1CCOCC1)[*:1]
CCOc1c(F)cccc1C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 CCO[*:1] O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(F)c1[*:1]
O=C([O-])c1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1 O=C([O-])[*:1] O=[N+]([O-])c1cc(F)ccc1Nc1ccc(cc1)[*:1]
O=C([O-])c1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C([O-])c1ccc(cc1)Nc1ccc(F)cc1[*:1]
Cc1nn(CCc2nnc(-c3cc(C(F)(F)F)nn3C)o2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] Cn1nc(cc1-c1nnc(CC[*:1])o1)C(F)(F)F
Cc1nn(CCc2nnc(-c3cc(C(F)(F)F)nn3C)o2)c(C)c1Cl FC(F)(F)[*:1] Cc1nn(CCc2nnc(o2)-c2cc(nn2C)[*:1])c(C)c1Cl
COC(=O)CN(Cc1ccccc1Cl)CN1C(=O)[C@H]2CC[C@@H]1C2 COC(=O)C[*:1] O=C1[C@H]2CC[C@H](C2)N1CN(Cc1ccccc1Cl)[*:1]
COC(=O)CN(Cc1ccccc1Cl)CN1C(=O)[C@H]2CC[C@@H]1C2 Clc1ccccc1[*:1] COC(=O)CN(CN1C(=O)[C@H]2CC[C@@H]1C2)C[*:1]
COC(=O)CN(Cc1ccccc1Cl)CN1C(=O)[C@H]2CC[C@@H]1C2 COC(=O)[*:1] O=C1[C@H]2CC[C@H](C2)N1CN(Cc1ccccc1Cl)C[*:1]
Cc1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3F)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C([C@H]1C[C@@H]1c1ccccc1F)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3F)CC2)c(C)o1 Fc1ccccc1[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)[C@H]2C[C@H]2[*:1])c(C)o1
Cc1nn(-c2ccccc2)c(C)c1CNCCc1nncn1C1CC1 C1CC1[*:1] Cc1nn(-c2ccccc2)c(C)c1CNCCc1nncn1[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNCCc1nncn1C1CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNCCc1nncn1C1CC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNCCc1nncn1C1CC1 c1nnc(n1C1CC1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNCC[*:1]
Cc1ccccc1CNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 Cc1ccccc1[*:1] C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[*:1]
Cc1ccccc1CNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1CNC(=O)[C@@H](C)NC(=O)[*:1]
CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cs1 CC(C)[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)c1csc(n1)[*:1]
CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cs1 c1ccc(cc1)C[*:1] CC(C)c1nc(cs1)[C@H](C)[NH2+][C@@H]1CC(=O)N([C@H]1C)[*:1]
CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cs1 c1ccc(cc1)[*:1] CC(C)c1nc(cs1)[C@H](C)[NH2+][C@@H]1CC(=O)N(C[*:1])[C@H]1C
CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cs1 CC(C)c1nc(cs1)[*:1] C[C@H]1[C@@H](CC(=O)N1Cc1ccccc1)[NH2+][C@@H](C)[*:1]
COc1cc(F)cc(CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1cc(F)cc(c1)CNC(=O)N1CCN(CC1)C(=O)[*:1]
COc1cc(F)cc(CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 COc1cc(F)cc(c1)[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)c1ccccc1
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NCC[NH+]1CCCCC1 CC(C)[*:1] C[C@H]1C[C@@H]1CN(C(=O)NCC[NH+]1CCCCC1)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NCC[NH+]1CCCCC1 C[C@H]1C[C@@H]1[*:1] CC(C)N(C[*:1])C(=O)NCC[NH+]1CCCCC1
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NCC[NH+]1CCCCC1 C[C@H]1C[C@@H]1C[*:1] CC(C)N(C(=O)NCC[NH+]1CCCCC1)[*:1]
O=C([O-])[C@H]1[NH2+]CC[C@H]1c1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] O=C([O-])[C@H]1[NH2+]CC[C@H]1c1cccc(c1)[*:1]
O=C([O-])[C@H]1[NH2+]CC[C@H]1c1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] O=C([O-])[C@H]1[NH2+]CC[C@H]1c1cccc(c1)O[*:1]
NC(=O)c1c(O)cc(Br)c(O)c1Br NC(=O)[*:1] Oc1cc(Br)c(O)c(Br)c1[*:1]
CC(C)c1cc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)on1 CC(C)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)NCc1cc(no1)[*:1]
O=C(CCC(=O)c1ccccc1)NCCn1cccc1 c1ccn(c1)C[*:1] O=C(CCC(=O)c1ccccc1)NC[*:1]
O=C(CCC(=O)c1ccccc1)NCCn1cccc1 c1ccn(c1)[*:1] O=C(CCC(=O)c1ccccc1)NCC[*:1]
O=C(CCC(=O)c1ccccc1)NCCn1cccc1 c1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])NCCn1cccc1
CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(C)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(C)c1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CC(C)c1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cs1 O=C1CCCN1[*:1] CC(C)c1nc(cs1)[C@@H](C)[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CC(C)c1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cs1 CC(C)c1nc(cs1)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1ccc(cc1)N1CCCC1=O
CC(C)c1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cs1 CC(C)[*:1] C[C@H]([NH2+][C@H](C)c1csc(n1)[*:1])c1ccc(cc1)N1CCCC1=O
CCCCn1nc(C)c(CN2CCOC[C@H]2C2CC2)c1Cl C1CC1[*:1] CCCCn1nc(C)c(CN2CCOC[C@@H]2[*:1])c1Cl
CCCCn1nc(C)c(CN2CCOC[C@H]2C2CC2)c1Cl CCCC[*:1] Cc1nn(c(Cl)c1CN1CCOC[C@H]1C1CC1)[*:1]
CCCCn1nc(C)c(CN2CCOC[C@H]2C2CC2)c1Cl CCC[*:1] Cc1nn(C[*:1])c(Cl)c1CN1CCOC[C@H]1C1CC1
COC[C@@H](C)CNc1cc(C)c(N)c(C(=O)[O-])c1 COC[C@@H](C)C[*:1] Cc1cc(cc(C(=O)[O-])c1N)N[*:1]
COC[C@@H](C)CNc1cc(C)c(N)c(C(=O)[O-])c1 COC[C@@H](C)[*:1] Cc1cc(cc(C(=O)[O-])c1N)NC[*:1]
COC[C@@H](C)CNc1cc(C)c(N)c(C(=O)[O-])c1 COC[*:1] Cc1cc(cc(C(=O)[O-])c1N)NC[C@H](C)[*:1]
COC[C@@H](C)CNc1cc(C)c(N)c(C(=O)[O-])c1 O=C([O-])[*:1] COC[C@@H](C)CNc1cc(C)c(N)c(c1)[*:1]
C=C(C)CN1CCN(/C=C/C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 C=C(C)[*:1] O=C(/C=C/N1CCN(CC1)C[*:1])Nc1ccc(cc1)Cn1cncn1
C=C(C)CN1CCN(/C=C/C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 c1ncn(n1)[*:1] C=C(C)CN1CCN(/C=C/C(=O)Nc2ccc(cc2)C[*:1])CC1
C=C(C)CN1CCN(/C=C/C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 c1ncn(C[*:1])n1 C=C(C)CN1CCN(/C=C/C(=O)Nc2ccc(cc2)[*:1])CC1
C=C(C)CN1CCN(/C=C/C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 C=C(C)C[*:1] O=C(/C=C/N1CCN(CC1)[*:1])Nc1ccc(cc1)Cn1cncn1
Cc1nc(Cl)sc1C(=O)N(CC(F)F)c1cccc(Cl)c1 FC(F)[*:1] Cc1nc(Cl)sc1C(=O)N(C[*:1])c1cccc(Cl)c1
Cc1nc(Cl)sc1C(=O)N(CC(F)F)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nc(Cl)sc1C(=O)N(CC(F)F)[*:1]
Cc1nc(Cl)sc1C(=O)N(CC(F)F)c1cccc(Cl)c1 FC(F)C[*:1] Cc1nc(Cl)sc1C(=O)N(c1cccc(Cl)c1)[*:1]
Cc1nc(Cl)sc1C(=O)N(CC(F)F)c1cccc(Cl)c1 Cc1nc(Cl)sc1[*:1] O=C(N(CC(F)F)c1cccc(Cl)c1)[*:1]
Cc1ccc(N(CCC#N)C(=O)COC(=O)C2=COCCO2)cc1 N#CCC[*:1] Cc1ccc(cc1)N(C(=O)COC(=O)C1=COCCO1)[*:1]
Cc1ccc(N(CCC#N)C(=O)COC(=O)C2=COCCO2)cc1 Cc1ccc(cc1)[*:1] N#CCCN(C(=O)COC(=O)C1=COCCO1)[*:1]
Cc1ccc(N(CCC#N)C(=O)COC(=O)C2=COCCO2)cc1 N#CC[*:1] Cc1ccc(cc1)N(C[*:1])C(=O)COC(=O)C1=COCCO1
O=c1c2ccc(F)cc2ncn1CCOCCOc1ccccc1 c1ccc(cc1)O[*:1] O=c1c2ccc(F)cc2ncn1CCOCC[*:1]
O=c1c2ccc(F)cc2ncn1CCOCCOc1ccccc1 c1ccc(cc1)[*:1] O=c1c2ccc(F)cc2ncn1CCOCCO[*:1]
O=c1c2ccc(F)cc2ncn1CCOCCOc1ccccc1 c1ccc(cc1)OC[*:1] O=c1c2ccc(F)cc2ncn1CCOC[*:1]
Cc1nc(-c2ccc(CCNC(=O)CN(C)C(=O)c3ccco3)s2)cs1 c1coc(c1)[*:1] Cc1nc(cs1)-c1ccc(CCNC(=O)CN(C)C(=O)[*:1])s1
Cc1nc(-c2ccc(CCNC(=O)CN(C)C(=O)c3ccco3)s2)cs1 Cc1nc(cs1)[*:1] CN(CC(=O)NCCc1ccc(s1)[*:1])C(=O)c1ccco1
Cc1cc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CCO[C@H](C1)c1ccc(F)c(F)c1
Cc1cc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)ncc1[N+](=O)[O-] Fc1ccc(cc1F)[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCO[C@@H](C1)[*:1]
O=C([O-])[C@H]1CC(c2ccccc2C(F)(F)F)=NO1 FC(F)(F)[*:1] O=C([O-])[C@H]1CC(=NO1)c1ccccc1[*:1]
O=C([O-])[C@H]1CC(c2ccccc2C(F)(F)F)=NO1 O=C([O-])[*:1] FC(F)(F)c1ccccc1C1C[C@@H](ON=1)[*:1]
COc1ccc(OC)c(-c2cc(C(=O)[O-])c3ccc(C)c(C)c3n2)c1 O=C([O-])[*:1] COc1ccc(OC)c(c1)-c1cc(c2ccc(C)c(C)c2n1)[*:1]
CCOc1ccc(NC(=O)N[C@H](C)[C@H](O)c2ccc(OC)cc2)cc1F COc1ccc(cc1)[*:1] CCOc1ccc(cc1F)NC(=O)N[C@H](C)[C@H](O)[*:1]
CCOc1ccc(NC(=O)N[C@H](C)[C@H](O)c2ccc(OC)cc2)cc1F CCO[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)Nc1ccc(c(F)c1)[*:1]
CCOC(=O)c1ccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)o1 CCOC(=O)[*:1] C[C@@H]1C[NH+](Cc2ccc(o2)[*:1])C[C@@H](C)S1
CC[C@@H](CSC)N(C)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 CN(C)C(=O)[*:1] CC[C@@H](CSC)N(C)C(=O)Nc1ccc(c(C)c1)[*:1]
CC[C@@H](CSC)N(C)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 CSC[*:1] CC[C@@H](N(C)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)[*:1]
O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(CSCC(=O)N[*:1])N/N=C/c1ccc(Cl)cc1
O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSCC(=O)Nc1ccccc1)NN=C[*:1]
COC(=O)C1(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)CCCC1 c1ccc(cc1)[*:1] COC(=O)C1(CCCC1)NC(=O)Cc1c(C)nn(c1C)[*:1]
COC(=O)C1(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)CCCC1 COC(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC1(CCCC1)[*:1]
CC(C)c1ocnc1CN1C[C@H](C)S[C@@H](C)C1 CC(C)[*:1] C[C@H]1CN(Cc2ncoc2[*:1])C[C@H](C)S1
O=C(NCc1ccco1)C1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] O=C(NCc1ccco1)C1CC[NH+](CC1)Cc1noc(n1)[*:1]
O=C(NCc1ccco1)C1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 c1coc(c1)[*:1] O=C(NC[*:1])C1CC[NH+](CC1)Cc1noc(n1)-c1ccccc1
O=C(NCc1ccco1)C1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 O=C(NCc1ccco1)[*:1] c1ccc(cc1)-c1nc(C[NH+]2CCC(CC2)[*:1])no1
O=C(NCc1ccco1)C1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 c1coc(c1)C[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1noc(n1)-c1ccccc1
Cc1cc(C)n(C[C@H](C)CNC(=O)NCCO)n1 OCC[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)N[*:1])n1
O=C(COc1ccc(I)cc1)NCCc1c[nH]c2ccccc12 Ic1ccc(cc1)[*:1] O=C(CO[*:1])NCCc1c[nH]c2ccccc12
CCC[C@](C)([NH3+])C(=O)N(C)CCc1cccs1 c1csc(c1)[*:1] CCC[C@](C)([NH3+])C(=O)N(C)CC[*:1]
CCC[C@](C)([NH3+])C(=O)N(C)CCc1cccs1 CCC[*:1] CN(CCc1cccs1)C(=O)[C@](C)([NH3+])[*:1]
CCC[C@@H](C#N)NC(=O)C1(c2ccc(Br)cc2)CCOCC1 CCC[*:1] N#C[C@@H](NC(=O)C1(CCOCC1)c1ccc(Br)cc1)[*:1]
CCC[C@@H](C#N)NC(=O)C1(c2ccc(Br)cc2)CCOCC1 Brc1ccc(cc1)[*:1] CCC[C@@H](C#N)NC(=O)C1(CCOCC1)[*:1]
CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)CC1 Clc1ccccc1C[*:1] CCOC(=O)N1CCN(CC1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)CC1 Clc1ccccc1[*:1] CCOC(=O)N1CCN(CC1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)CC1 CCOC(=O)N1CCN(CC1)[*:1] Cn1c(=O)c2c(nc(C[*:1])n2Cc2ccccc2Cl)n(C)c1=O
Cc1cc(C[S@@](=O)[C@@H](C)C(=O)NCc2ccc(F)cc2)on1 Cc1cc(on1)[*:1] C[C@@H](C(=O)NCc1ccc(F)cc1)[S@](=O)C[*:1]
Cc1cc(C[S@@](=O)[C@@H](C)C(=O)NCc2ccc(F)cc2)on1 Cc1cc(C[*:1])on1 C[C@@H](C(=O)NCc1ccc(F)cc1)[S@](=O)[*:1]
Cc1cc(C[S@@](=O)[C@@H](C)C(=O)NCc2ccc(F)cc2)on1 Fc1ccc(cc1)[*:1] Cc1cc(C[S@@](=O)[C@@H](C)C(=O)NC[*:1])on1
CC(=O)c1ccc(NCCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 CC(=O)[*:1] O=[N+]([O-])c1cc(ccc1NCCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CC(=O)c1ccc(NCCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(NCCC2CCN(CC2)c2cc[nH+]cc2)c(c1)[*:1]
CCCc1nnc(NC(=O)c2ccc3cc(OC)ccc3n2)s1 CCC[*:1] COc1ccc2nc(ccc2c1)C(=O)Nc1nnc(s1)[*:1]
Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccccc3[nH]2)n(-c2ccccc2)c1C c1ccc2[nH]c(cc2c1)[*:1] Cc1c(C#N)c(NC(=O)COC(=O)[*:1])n(-c2ccccc2)c1C
Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccccc3[nH]2)n(-c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccccc3[nH]2)n(c1C)[*:1]
O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCC(OCCCO)CC1 OCC[*:1] O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCC(CC1)OC[*:1]
O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCC(OCCCO)CC1 OCCCO[*:1] O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCC(CC1)[*:1]
O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCC(OCCCO)CC1 OCCC[*:1] O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCC(CC1)O[*:1]
CCC1(CC)[C@@H](NC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)[C@H](C)[C@@H]1OC CC(C)[*:1] CCC1(CC)[C@@H](NC(=O)N2CCC(CC2)C(=O)N(C)[*:1])[C@H](C)[C@@H]1OC
CCC1(CC)[C@@H](NC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)[C@H](C)[C@@H]1OC CC(C)N(C)C(=O)[*:1] CCC1(CC)[C@@H](NC(=O)N2CCC(CC2)[*:1])[C@H](C)[C@@H]1OC
CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)nc1 c1coc(c1)[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc(nc1)N1CCN(CC1)C(=O)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)nc1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1ccc(nc1)N1CCN(CC1)C(=O)c1ccco1)[*:1]
O=C(NCCCn1cc[nH+]c1)NNS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCn1cc[nH+]c1)NNS(=O)(=O)[*:1]
O=C(Cc1cccc(F)c1)Nc1cc(Cl)ccc1N1CCCCC1 Fc1cccc(c1)[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1N1CCCCC1
O=C(Cc1cccc(F)c1)Nc1cc(Cl)ccc1N1CCCCC1 Fc1cccc(c1)C[*:1] O=C(Nc1cc(Cl)ccc1N1CCCCC1)[*:1]
O=C(Cc1cccc(F)c1)Nc1cc(Cl)ccc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(Cc1cccc(F)c1)Nc1cc(Cl)ccc1[*:1]
CCc1nc2c(=O)n(CC(=O)N3CCCC3)nc(C)c2s1 O=C(N1CCCC1)[*:1] CCc1nc2c(=O)n(C[*:1])nc(C)c2s1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H](c1ccccc1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1
COC[C@H]([NH2+]Cc1cscn1)c1ccc(C)o1 COC[*:1] Cc1ccc(o1)[C@@H]([NH2+]Cc1cscn1)[*:1]
COC[C@H]([NH2+]Cc1cscn1)c1ccc(C)o1 c1nc(cs1)[*:1] COC[C@H]([NH2+]C[*:1])c1ccc(C)o1
C[S@](=O)CCC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C[S@](=O)CC[*:1] O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
C[S@](=O)CCC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C[S@](=O)[*:1] O=C(CC[*:1])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
C[S@](=O)CCC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C[S@](=O)C[*:1] O=C(C[*:1])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
CCCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1cccc(OC)c1 CCC[*:1] COc1cccc(c1)NC(=O)C[C@@H]1CSc2nc(cc(=O)n21)[*:1]
CCCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1cccc(OC)c1 COc1cccc(c1)[*:1] CCCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N[*:1]
Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc(Sc4ccccn4)c(Cl)c3)cc21 c1ccc(nc1)S[*:1] Cn1c(=O)oc2ccc(cc21)S(=O)(=O)Nc1ccc(c(Cl)c1)[*:1]
Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc(Sc4ccccn4)c(Cl)c3)cc21 c1ccc(nc1)[*:1] Cn1c(=O)oc2ccc(cc21)S(=O)(=O)Nc1ccc(S[*:1])c(Cl)c1
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)c2)n1 Cc1cc(C)n(n1)[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(ccc1Cl)[*:1]
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)c2)n1 Cc1nn(C)c(C)c1C[*:1] Cc1cc(C)n(n1)-c1ccc(Cl)c(c1)C(=O)N[C@@H](C)[*:1]
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)c2)n1 Cc1nn(C)c(C)c1[*:1] Cc1cc(C)n(n1)-c1ccc(Cl)c(c1)C(=O)N[C@@H](C)C[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(cc1)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@](C)(O)c2ccsc2)c1 c1cc(cs1)[*:1] Cc1ccc(c(c1)O[C@@H](C)C(=O)NC[C@](C)(O)[*:1])C(C)C
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@](C)(O)c2ccsc2)c1 CC(C)[*:1] Cc1ccc(c(c1)O[C@@H](C)C(=O)NC[C@](C)(O)c1ccsc1)[*:1]
CCS(=O)(=O)NCc1cc(-c2ccccn2)n(C)n1 CCS(=O)(=O)N[*:1] Cn1nc(cc1-c1ccccn1)C[*:1]
CCS(=O)(=O)NCc1cc(-c2ccccn2)n(C)n1 c1ccc(nc1)[*:1] CCS(=O)(=O)NCc1cc(n(C)n1)[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCC(F)(F)F CC(C)(C)NC(=O)[*:1] O=C(NCCC(F)(F)F)C(=O)Nc1ccccc1[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCC(F)(F)F FC(F)(F)CC[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)N[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCC(F)(F)F CC(C)(C)[*:1] O=C(NCCC(F)(F)F)C(=O)Nc1ccccc1C(=O)N[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCC(F)(F)F FC(F)(F)[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)NCC[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCC(F)(F)F FC(F)(F)C[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)NC[*:1]
COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)COC(=O)[*:1]
Cc1nc2ncnn2c(NCCC[NH+](C(C)C)C(C)C)c1C CC(C)[*:1] Cc1nc2ncnn2c(NCCC[NH+](C(C)C)[*:1])c1C
C[C@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] C[C@H](OC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1)[*:1]
C[C@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N1CCCCCC1 Fc1ccc(cc1)[*:1] C[C@H](OC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1])C(=O)N1CCCCCC1
Cc1ccc(NC(=O)C(=O)NCCc2ccccc2F)c(C)c1 Fc1ccccc1[*:1] Cc1ccc(NC(=O)C(=O)NCC[*:1])c(C)c1
NS(=O)(=O)c1cccc(NC(=O)CSCC2CCCCC2)c1 C1CCC(CC1)C[*:1] NS(=O)(=O)c1cccc(c1)NC(=O)CS[*:1]
NS(=O)(=O)c1cccc(NC(=O)CSCC2CCCCC2)c1 NS(=O)(=O)[*:1] O=C(CSCC1CCCCC1)Nc1cccc(c1)[*:1]
NS(=O)(=O)c1cccc(NC(=O)CSCC2CCCCC2)c1 C1CCC(CC1)[*:1] NS(=O)(=O)c1cccc(c1)NC(=O)CSC[*:1]
CCN(C[C@H](C)C#N)C(=O)CNc1cccc(Cl)c1C(N)=O C[C@H](C#N)C[*:1] CCN(C(=O)CNc1cccc(Cl)c1C(N)=O)[*:1]
CCN(C[C@H](C)C#N)C(=O)CNc1cccc(Cl)c1C(N)=O NC(=O)[*:1] CCN(C[C@H](C)C#N)C(=O)CNc1cccc(Cl)c1[*:1]
CC(C)SCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CS[*:1]
CC(C)SCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)SCC(=O)N1Cc2ccccc2C[C@@H]1[*:1]
CC(C)SCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] CC(C)S[*:1] O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[*:1]
CC(C)SCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] CC(C)SC[*:1] O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N2CCc3ccccc32)c1 CNS(=O)(=O)[*:1] C[C@@H](NC(=O)N1CCc2ccccc21)c1cccc(c1)[*:1]
O=C([O-])Cc1cccc(Oc2ncnc3c2CCCC3)c1 O=C([O-])[*:1] c1cc(cc(c1)Oc1ncnc2CCCCc21)C[*:1]
O=C([O-])Cc1cccc(Oc2ncnc3c2CCCC3)c1 O=C([O-])C[*:1] c1cc(cc(c1)[*:1])Oc1ncnc2CCCCc21
Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)CC1 Cc1ccccc1[*:1] O=C1CCC(CCC(=O)N2CCC[C@H](C2)[NH+]2CCN(CC2)[*:1])=NN1
COc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc1OC c1cnc(nc1)[*:1] COc1ccc(cc1OC)C(=O)Nc1ccc2[nH+]c(cc(C)c2c1)N1CCN(CC1)[*:1]
COc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc1OC c1cnc(nc1)N1CCN(CC1)[*:1] COc1ccc(cc1OC)C(=O)Nc1ccc2[nH+]c(cc(C)c2c1)[*:1]
COc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)[*:1])N1CCN(CC1)c1ncccn1
COCC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2s1 COC[*:1] O=C(N(Cc1ccc(F)cc1)c1nc2ccccc2s1)[*:1]
COCC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2s1 Fc1ccc(cc1)[*:1] COCC(=O)N(C[*:1])c1nc2ccccc2s1
COc1ccc(CCNC(=O)C(=O)Nc2cncc(C)c2)cc1 Cc1cncc(c1)[*:1] COc1ccc(cc1)CCNC(=O)C(=O)N[*:1]
CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2ccc(Br)s2)CC1 C1CCC(CC1)[*:1] CN(S(=O)(=O)N1CCN(CC1)C(=O)c1ccc(Br)s1)[*:1]
CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] CN(C1CCCCC1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)-c1cn2ccsc2n1)c1cccc(c1)S(=O)(=O)N[*:1]
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 O=S(=O)(NCc1ccccc1)[*:1] O=C(Nc1ccc(cc1)-c1cn2ccsc2n1)c1cccc(c1)[*:1]
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 c1cn2cc(nc2s1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)S(=O)(=O)NCc1ccccc1
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1cn2ccsc2n1)c1cccc(c1)S(=O)(=O)NC[*:1]
CCOc1ccc2nc(S[C@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)nc(C)c2c1 CCO[*:1] COc1ccc(cc1)N1C(=O)C[C@H](Sc2nc(C)c3cc(ccc3n2)[*:1])C1=O
CCOc1ccc2nc(S[C@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)nc(C)c2c1 COc1ccc(cc1)[*:1] CCOc1ccc2nc(nc(C)c2c1)S[C@H]1CC(=O)N(C1=O)[*:1]
O=C(C(=O)N1CCN(c2ccc(F)cc2)CC1)c1cn(CC(=O)N2CCOCC2)c2ccccc12 O=C(C[*:1])N1CCOCC1 O=C(C(=O)N1CCN(CC1)c1ccc(F)cc1)c1cn(c2ccccc12)[*:1]
O=C(C(=O)N1CCN(c2ccc(F)cc2)CC1)c1cn(CC(=O)N2CCOCC2)c2ccccc12 O=C(N1CCOCC1)[*:1] O=C(C(=O)N1CCN(CC1)c1ccc(F)cc1)c1cn(C[*:1])c2ccccc12
O=C(C(=O)N1CCN(c2ccc(F)cc2)CC1)c1cn(CC(=O)N2CCOCC2)c2ccccc12 Fc1ccc(cc1)[*:1] O=C(C(=O)N1CCN(CC1)[*:1])c1cn(CC(=O)N2CCOCC2)c2ccccc12
CC(C)c1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 CC(C)[*:1] O=C(CCc1ccc2OCCOc2c1)Nc1ccccc1[*:1]
COc1ccc(CNC(=O)[C@@H](C)n2c(C(F)(F)F)nc3ccccc32)cc1 COc1ccc(cc1)C[*:1] C[C@H](C(=O)N[*:1])n1c(nc2ccccc21)C(F)(F)F
COc1ccc(CNC(=O)[C@@H](C)n2c(C(F)(F)F)nc3ccccc32)cc1 COc1ccc(cc1)[*:1] C[C@H](C(=O)NC[*:1])n1c(nc2ccccc21)C(F)(F)F
COc1ccc(CNC(=O)[C@@H](C)n2c(C(F)(F)F)nc3ccccc32)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CNC(=O)[C@@H](C)n1c(nc2ccccc21)[*:1]
Cc1ccc(NC(=O)C2([NH+](C)C)CCC2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C1(CCC1)[NH+](C)C
N#Cc1cccc(CS(=O)(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 N#Cc1cccc(c1)[*:1] O=S(=O)(C[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
N#Cc1cccc(CS(=O)(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 C1CO[C@@H](C1)CO[*:1] N#Cc1cccc(c1)CS(=O)(=O)N1CCC(CC1)[*:1]
Cc1cc(C)nc(N2CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC2)n1 Cc1cc(C)nc(n1)[*:1] O[C@H](CN1CCN(CC1)[*:1])c1ccc2OCCCOc2c1
C[C@H](CCBr)CCn1ccnc1C#N BrCC[*:1] C[C@H](CCn1ccnc1C#N)[*:1]
C#CCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(F)ccc21 c1ccc(cc1)[*:1] C#CCn1/c(=N/C(=O)CCO[*:1])sc2cc(F)ccc21
C#CCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(F)ccc21 c1ccc(cc1)OC[*:1] C#CCn1/c(=N/C(=O)C[*:1])sc2cc(F)ccc21
C#CCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(F)ccc21 c1ccc(cc1)O[*:1] C#CCn1/c(=N/C(=O)CC[*:1])sc2cc(F)ccc21
C#CCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(F)ccc21 C#CC[*:1] O=C(CCOc1ccccc1)/N=c1\sc2cc(F)ccc2n1[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)Cc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)NC(=O)C[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCCC2)c1 N#CCC[*:1] Cc1cc(C)cc(c1)N(C(=O)[C@@H](C)[NH+]1CCCC1)[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCCC2)c1 N#CC[*:1] Cc1cc(C)cc(c1)N(C[*:1])C(=O)[C@@H](C)[NH+]1CCCC1
CC1=C(C(=O)N(C)C)[C@@H](c2cscn2)NC(=S)N1c1cc(C)cc(C)c1 c1nc(cs1)[*:1] CC1=C(C(=O)N(C)C)[C@@H](NC(=S)N1c1cc(C)cc(C)c1)[*:1]
CC1=C(C(=O)N(C)C)[C@@H](c2cscn2)NC(=S)N1c1cc(C)cc(C)c1 CN(C)C(=O)[*:1] CC1=C([C@H](NC(=S)N1c1cc(C)cc(C)c1)c1cscn1)[*:1]
CC1=C(C(=O)N(C)C)[C@@H](c2cscn2)NC(=S)N1c1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] CC1=C(C(=O)N(C)C)[C@H](NC(=S)N1[*:1])c1cscn1
C[NH+](CCNC(=O)c1ccc2[nH]cnc2c1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCNC(=O)c1ccc2[nH]cnc2c1)[*:1]
CCOc1ccc2c(c1)C[C@H](C(=O)NC[C@@H]1CCC[C@@H]1O)CO2 O[C@H]1CCC[C@H]1C[*:1] CCOc1ccc2OC[C@H](Cc2c1)C(=O)N[*:1]
CCOc1ccc2c(c1)C[C@H](C(=O)NC[C@@H]1CCC[C@@H]1O)CO2 CCO[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H]1COc2ccc(cc2C1)[*:1]
O=C(CCC1CCCC1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CCC1CCCC1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
O=C(CCC1CCCC1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 C1CCC(C1)CC[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1)[*:1]
O=C(CCC1CCCC1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 C1CCC(C1)[*:1] O=C(CC[*:1])/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1
O=C(CCC1CCCC1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 C1CCC(C1)C[*:1] O=C(C[*:1])/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1
CCOC(=O)[C@@H](C)Sc1nnc2n1CCN2c1ccc(F)cc1 CCOC(=O)[*:1] C[C@@H](Sc1nnc2N(CCn12)c1ccc(F)cc1)[*:1]
CCOC(=O)[C@@H](C)Sc1nnc2n1CCN2c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)[C@@H](C)Sc1nnc2N(CCn12)[*:1]
CCOC(=O)[C@@H](C)Sc1nnc2n1CCN2c1ccc(F)cc1 CCOC(=O)[C@@H](C)[*:1] Fc1ccc(cc1)N1CCn2c(nnc21)S[*:1]
O=C(CC[C@H]1CCCO1)N1CCC[C@H]1CCc1ccccc1 C1CO[C@H](C1)CC[*:1] O=C(N1CCC[C@H]1CCc1ccccc1)[*:1]
O=C(CC[C@H]1CCCO1)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(CC[C@H]1CCCO1)N1CCC[C@H]1CC[*:1]
O=C(CC[C@H]1CCCO1)N1CCC[C@H]1CCc1ccccc1 C1CO[C@H](C1)[*:1] O=C(CC[*:1])N1CCC[C@H]1CCc1ccccc1
O=C(CC[C@H]1CCCO1)N1CCC[C@H]1CCc1ccccc1 C1CO[C@H](C1)C[*:1] O=C(C[*:1])N1CCC[C@H]1CCc1ccccc1
O=C(CC[C@H]1CCCO1)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CC[C@H]1CCCO1)N1CCC[C@H]1C[*:1]
Cc1sc2nc(CSc3ccc(C(C)C)cc3)[nH]c(=O)c2c1C CC(C)[*:1] Cc1sc2nc(CSc3ccc(cc3)[*:1])[nH]c(=O)c2c1C
Cc1cc(F)cc([C@@H](O)c2ccc([C@@H]3C[C@@H]3C)o2)c1 C[C@H]1C[C@H]1[*:1] Cc1cc(F)cc(c1)[C@@H](O)c1ccc(o1)[*:1]
CCCC(=O)Nc1cc(C(=O)N2CCCCCC2)cn(C)c1=O CCC[*:1] Cn1cc(cc(NC(=O)[*:1])c1=O)C(=O)N1CCCCCC1
CCCC(=O)Nc1cc(C(=O)N2CCCCCC2)cn(C)c1=O CCCC(=O)N[*:1] Cn1cc(cc(c1=O)[*:1])C(=O)N1CCCCCC1
N#Cc1csc(C(=O)N2CCC(C(=O)c3cccs3)CC2)c1 O=C(c1cccs1)[*:1] N#Cc1csc(c1)C(=O)N1CCC(CC1)[*:1]
N#Cc1csc(C(=O)N2CCC(C(=O)c3cccs3)CC2)c1 c1csc(c1)[*:1] N#Cc1csc(c1)C(=O)N1CCC(CC1)C(=O)[*:1]
N#Cc1csc(C(=O)N2CCC(C(=O)c3cccs3)CC2)c1 N#Cc1csc(c1)[*:1] O=C(c1cccs1)C1CCN(CC1)C(=O)[*:1]
NNC(=O)c1coc(CSc2cccc(F)c2)c1 NNC(=O)[*:1] Fc1cccc(c1)SCc1cc(co1)[*:1]
CCc1nn(C)cc1CNC(=O)NNC(=O)Cc1cn2ccccc2n1 CCc1nn(C)cc1[*:1] O=C(Cc1cn2ccccc2n1)NNC(=O)NC[*:1]
O=C(c1ccc(Cl)cc1)[C@H]1CCCN(C[C@H]2C=c3ccccc3=[NH+]2)C1 Clc1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)C[C@H]1C=c2ccccc2=[NH+]1)[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)c(F)c2)cc1 COc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@H](c2ccc(F)c(F)c2)N1[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] COc1ccc(cc1)N1C(=O)c2ccccc2N[C@H]1[*:1]
CCc1ccc(NC(=O)C(=O)NCC#N)cc1 N#CC[*:1] CCc1ccc(cc1)NC(=O)C(=O)N[*:1]
Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1nc(sc1C(=O)N[C@@H](C)c1ccc(cc1)[*:1])-c1cccs1
Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 c1csc(c1)[*:1] Cc1nc(sc1C(=O)N[C@@H](C)c1ccc(cc1)S(C)(=O)=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNc1ncccc1F c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNc1ncccc1F)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNc1ncccc1F Fc1cccnc1[*:1] Cc1nn(-c2ccccc2)c(C)c1CN[*:1]
CCn1nc(C)cc1C(=O)/N=c1/sc2cc(F)ccc2n1CCSC CSCC[*:1] CCn1nc(C)cc1C(=O)/N=c1/sc2cc(F)ccc2n1[*:1]
CCn1nc(C)cc1C(=O)/N=c1/sc2cc(F)ccc2n1CCSC CCn1nc(C)cc1[*:1] CSCCn1/c(=N\C(=O)[*:1])sc2cc(F)ccc21
CCn1nc(C)cc1C(=O)/N=c1/sc2cc(F)ccc2n1CCSC CSC[*:1] CCn1nc(C)cc1C(=O)/N=c1/sc2cc(F)ccc2n1C[*:1]
C[NH+](C)C[C@H](N)CCC(F)(F)F FC(F)(F)[*:1] C[NH+](C)C[C@H](N)CC[*:1]
CCOc1ccc(NC(=O)NCCc2cc(C)no2)cc1 Cc1cc(C[*:1])on1 CCOc1ccc(cc1)NC(=O)NC[*:1]
CCOc1ccc(NC(=O)NCCc2cc(C)no2)cc1 CCO[*:1] Cc1cc(CCNC(=O)Nc2ccc(cc2)[*:1])on1
CCOc1ccc(NC(=O)NCCc2cc(C)no2)cc1 Cc1cc(on1)[*:1] CCOc1ccc(cc1)NC(=O)NCC[*:1]
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccccc2Br)C1=O Brc1ccccc1[*:1] CC[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(F)cc1
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccccc2Br)C1=O Fc1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CC(=O)Nc2ccccc2Br)C1=O)[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(NC(=O)Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(cc1)NC(=O)O[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(NC(=O)Oc2ccccc2)cc1 O=C(N[*:1])Oc1ccccc1 CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(cc1)[*:1]
C[NH+](C)C1(C(=O)Cc2ccc(C(C)(C)C)cc2)CCCC1 CC(C)(C)[*:1] C[NH+](C)C1(CCCC1)C(=O)Cc1ccc(cc1)[*:1]
CC(C)n1cc2cc(NC(=O)C(=O)N[C@@H](CCO)C3CC3)ccc2n1 CC(C)[*:1] O=C(Nc1ccc2nn(cc2c1)[*:1])C(=O)N[C@@H](CCO)C1CC1
CC(C)n1cc2cc(NC(=O)C(=O)N[C@@H](CCO)C3CC3)ccc2n1 C1CC1[*:1] CC(C)n1cc2cc(ccc2n1)NC(=O)C(=O)N[C@@H](CCO)[*:1]
CC(C)n1cc2cc(NC(=O)C(=O)N[C@@H](CCO)C3CC3)ccc2n1 OCC[*:1] CC(C)n1cc2cc(ccc2n1)NC(=O)C(=O)N[C@@H](C1CC1)[*:1]
Cc1noc(-c2ccc3c(c2)OCO3)c1C(=O)NCCc1cccc(Cl)c1 c1cc2OCOc2cc1[*:1] Cc1noc(c1C(=O)NCCc1cccc(Cl)c1)[*:1]
Cc1noc(-c2ccc3c(c2)OCO3)c1C(=O)NCCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] Cc1noc(-c2ccc3OCOc3c2)c1C(=O)NC[*:1]
Cc1noc(-c2ccc3c(c2)OCO3)c1C(=O)NCCc1cccc(Cl)c1 Clc1cccc(c1)CC[*:1] Cc1noc(-c2ccc3OCOc3c2)c1C(=O)N[*:1]
Cc1noc(-c2ccc3c(c2)OCO3)c1C(=O)NCCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1noc(-c2ccc3OCOc3c2)c1C(=O)NCC[*:1]
CC(C)[C@@]1(C)CC(=O)N(CC[C@@H]2CCCC[NH2+]2)C1=O CC(C)[*:1] C[C@]1(CC(=O)N(CC[C@@H]2CCCC[NH2+]2)C1=O)[*:1]
Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 c1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3cncc(Br)c3)c21)C(=O)N[*:1]
Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 Brc1cncc(c1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)Nc1ccccc1
Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 O=C(Nc1ccccc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3cncc(Br)c3)c21)[*:1]
C[C@H]1[C@@H](SC[C@H](O)CO)CC[C@H]1[NH3+] OC[C@@H](O)[*:1] C[C@H]1[C@H](CC[C@H]1[NH3+])SC[*:1]
O=S(=O)(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(F)cc(F)c1 Clc1ccccc1[*:1] O=S(=O)(NC[C@@H]([NH+]1CCCC1)[*:1])c1cc(F)cc(F)c1
O=S(=O)(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=S(=O)(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[*:1]
O=C(OC[C@@H]1CC[NH2+]C1)C1CCC1 C1CC(C1)[*:1] O=C(OC[C@@H]1CC[NH2+]C1)[*:1]
N#Cc1cc(Oc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])cc1C#N O=[N+]([O-])[*:1] N#Cc1cc(Oc2cc(ccc2Cl)[N+](=O)[O-])c(cc1C#N)[*:1]
N#Cc1cc(Oc2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])cc1C#N O=[N+]([O-])[*:1] N#Cc1cc(Oc2cc(ccc2Cl)[*:1])c(cc1C#N)[N+](=O)[O-]
C[C@H](CC#N)N(C)Cc1nnc(C2CC2)n1C C1CC1[*:1] C[C@H](CC#N)N(C)Cc1nnc(n1C)[*:1]
C[C@H](CC#N)N(C)Cc1nnc(C2CC2)n1C N#CC[*:1] C[C@H](N(C)Cc1nnc(C2CC2)n1C)[*:1]
C[C@H](CC#N)N(C)Cc1nnc(C2CC2)n1C C[C@H](CC#N)[*:1] CN(Cc1nnc(C2CC2)n1C)[*:1]
COc1ccc([C@H]2CCCN2C(=O)NCCc2cnn(C)c2)cc1 Cn1cc(cn1)CC[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)N[*:1]
COc1ccc([C@H]2CCCN2C(=O)NCCc2cnn(C)c2)cc1 Cn1cc(cn1)C[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)NC[*:1]
COc1ccc([C@H]2CCCN2C(=O)NCCc2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)NCC[*:1]
COc1ccc([C@H]2CCCN2C(=O)NCCc2cnn(C)c2)cc1 COc1ccc(cc1)[*:1] Cn1cc(cn1)CCNC(=O)N1CCC[C@@H]1[*:1]
O=c1cc(C2CCC2)ncn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F FC(F)(F)[*:1] O=c1cc(ncn1Cc1ccc(cc1[*:1])[N+](=O)[O-])C1CCC1
O=c1cc(C2CCC2)ncn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F O=[N+]([O-])[*:1] O=c1cc(ncn1Cc1ccc(cc1C(F)(F)F)[*:1])C1CCC1
O=c1cc(C2CCC2)ncn1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F C1CC(C1)[*:1] O=c1cc(ncn1Cc1ccc(cc1C(F)(F)F)[N+](=O)[O-])[*:1]
COc1ccc(CN(C)C(=O)Nc2ccc(CSC)cc2)cc1O CSC[*:1] COc1ccc(cc1O)CN(C)C(=O)Nc1ccc(cc1)[*:1]
CN(C)c1cccc(C(=O)N2CCC[C@@H](c3ncccc3C(=O)NCc3ccccc3)C2)c1 CN(C)[*:1] O=C(NCc1ccccc1)c1cccnc1[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)N2CCC[C@@H](c3ncccc3C(=O)NCc3ccccc3)C2)c1 O=C(NCc1ccccc1)[*:1] CN(C)c1cccc(c1)C(=O)N1CCC[C@H](C1)c1ncccc1[*:1]
CN(C)c1cccc(C(=O)N2CCC[C@@H](c3ncccc3C(=O)NCc3ccccc3)C2)c1 c1ccc(cc1)[*:1] CN(C)c1cccc(c1)C(=O)N1CCC[C@H](C1)c1ncccc1C(=O)NC[*:1]
CN(C)c1cccc(C(=O)N2CCC[C@@H](c3ncccc3C(=O)NCc3ccccc3)C2)c1 CN(C)c1cccc(c1)[*:1] O=C(NCc1ccccc1)c1cccnc1[C@@H]1CCCN(C1)C(=O)[*:1]
CN(C)c1cccc(C(=O)N2CCC[C@@H](c3ncccc3C(=O)NCc3ccccc3)C2)c1 c1ccc(cc1)C[*:1] CN(C)c1cccc(c1)C(=O)N1CCC[C@H](C1)c1ncccc1C(=O)N[*:1]
CC[C@@H](NS(=O)(=O)Cc1ccon1)c1ccc(OC)cc1 c1cc(C[*:1])no1 CC[C@@H](NS(=O)(=O)[*:1])c1ccc(cc1)OC
CC[C@@H](NS(=O)(=O)Cc1ccon1)c1ccc(OC)cc1 c1cc(no1)[*:1] CC[C@@H](NS(=O)(=O)C[*:1])c1ccc(cc1)OC
CCOCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 C1CCC(C1)[*:1] CCOCC(=O)N(Cc1ccc2OCCc2c1)[*:1]
CCOCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 CCO[*:1] O=C(C[*:1])N(Cc1ccc2OCCc2c1)C1CCCC1
CCOCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 CCOC[*:1] O=C(N(Cc1ccc2OCCc2c1)C1CCCC1)[*:1]
CCN(CC)c1nc(C(C)(C)C)nc(=O)n1-c1ccccc1 CCN(CC)[*:1] CC(C)(C)c1nc(n(-c2ccccc2)c(=O)n1)[*:1]
CCN(CC)c1nc(C(C)(C)C)nc(=O)n1-c1ccccc1 CC(C)(C)[*:1] CCN(CC)c1nc(nc(=O)n1-c1ccccc1)[*:1]
CCN(CC)c1nc(C(C)(C)C)nc(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)c1nc(nc(=O)n1[*:1])C(C)(C)C
COC(=O)c1ccc(CNCC(F)(F)F)[nH]1 COC(=O)[*:1] FC(F)(F)CNCc1ccc([nH]1)[*:1]
COC(=O)c1ccc(CNCC(F)(F)F)[nH]1 FC(F)(F)[*:1] COC(=O)c1ccc(CNC[*:1])[nH]1
COC(=O)c1ccc(CNCC(F)(F)F)[nH]1 FC(F)(F)C[*:1] COC(=O)c1ccc(CN[*:1])[nH]1
C=CCNC(=O)c1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 C=CCNC(=O)[*:1] O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(cc1)[*:1]
C=CCNC(=O)c1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 C=CC[*:1] O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(cc1)C(=O)N[*:1]
O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 c1csc(c1)[*:1] O=C(CSc1nnc(n1Cc1ccccc1)[*:1])Nc1ccc2OCOc2c1
O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] O=C(CSc1nnc(-c2cccs2)n1[*:1])Nc1ccc2OCOc2c1
O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2cccs2)n1C[*:1])Nc1ccc2OCOc2c1
O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)N[*:1]
CSc1ccccc1Oc1cc(N)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] CSc1ccccc1Oc1cc(N)cc(c1C)[*:1]
O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N[C@H]1CCCc2ccccc21 Brc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)[*:1])N[C@H]1CCCc2ccccc21
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccco2)C1 c1coc(c1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)[C@H]1C[C@H]1[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccco2)C1 CCNS(=O)(=O)[*:1] O=C([C@H]1C[C@@H]1c1ccco1)N1CC[C@H](C1)[*:1]
C#CCN1CCN(C(=O)CNc2cccc(C)c2C(=O)NC)CC1 CNC(=O)[*:1] C#CCN1CCN(CC1)C(=O)CNc1cccc(C)c1[*:1]
C#CCN1CCN(C(=O)CNc2cccc(C)c2C(=O)NC)CC1 C#CC[*:1] CNC(=O)c1c(C)cccc1NCC(=O)N1CCN(CC1)[*:1]
COc1ccc(OC)c(-c2csc(NC(=O)Nc3ccccc3)n2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)-c1csc(n1)NC(=O)N[*:1]
CCc1cc(CNC(=O)c2cnc(-c3ccccc3Cl)s2)on1 CCc1cc(on1)[*:1] O=C(NC[*:1])c1cnc(s1)-c1ccccc1Cl
CCc1cc(CNC(=O)c2cnc(-c3ccccc3Cl)s2)on1 Clc1ccccc1[*:1] CCc1cc(CNC(=O)c2cnc(s2)[*:1])on1
COc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2cccnc2)CN3)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)-n1c2NCN(Cc2c(=O)[nH]c1=O)C[*:1]
COc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2cccnc2)CN3)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)-n1c2NCN(Cc2c(=O)[nH]c1=O)[*:1]
COc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(Cc2cccnc2)CN3)cc1 COc1ccc(cc1)[*:1] O=c1[nH]c(=O)n(c2NCN(Cc3cccnc3)Cc21)[*:1]
CNS(=O)(=O)c1ccc(N(C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 c1ccc(nc1)[*:1] CNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)[C@H](C)[*:1]
CNS(=O)(=O)c1ccc(N(C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 C[C@H](c1ccccn1)[*:1] CNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)[*:1]
CNS(=O)(=O)c1ccc(N(C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 CNS(=O)(=O)[*:1] C[C@H](c1ccccn1)N(C)c1ccc(cc1[N+](=O)[O-])[*:1]
CNS(=O)(=O)c1ccc(N(C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNS(=O)(=O)c1ccc(c(c1)[*:1])N(C)[C@H](C)c1ccccn1
CCN[C@]1(C(=O)OC)CC[C@@H](N2CC[NH+](C)CC2)C1 COC(=O)[*:1] CCN[C@@]1(CC[C@H](C1)N1CC[NH+](C)CC1)[*:1]
CCN[C@]1(C(=O)OC)CC[C@@H](N2CC[NH+](C)CC2)C1 CCN[*:1] COC(=O)[C@@]1(CC[C@H](C1)N1CC[NH+](C)CC1)[*:1]
COC(=O)c1ccccc1N(C)C(=O)CN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)c1ccccc1N(C)C(=O)CN1CCN(CC1)[*:1]
COC(=O)c1ccccc1N(C)C(=O)CN1CCN(c2ccccc2)CC1 COC(=O)[*:1] CN(C(=O)CN1CCN(CC1)c1ccccc1)c1ccccc1[*:1]
O=C(c1cccnc1N1CC[C@@H](Cc2ccccc2)C1)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1ccc(cc1)C[C@@H]1CCN(C1)c1ncccc1[*:1]
O=C(c1cccnc1N1CC[C@@H](Cc2ccccc2)C1)N1CCCCC1 c1ccc(cc1)C[*:1] O=C(c1cccnc1N1CC[C@@H](C1)[*:1])N1CCCCC1
O=C(c1cccnc1N1CC[C@@H](Cc2ccccc2)C1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(c1cccnc1N1CC[C@H](C1)C[*:1])N1CCCCC1
CC1CCN(C(=O)c2ccccc2NC(=O)N(C)[C@H]2CCc3ccccc32)CC1 CC1CCN(CC1)C(=O)[*:1] CN(C(=O)Nc1ccccc1[*:1])[C@H]1CCc2ccccc21
O=C(NCc1cc[nH]n1)NCC1(c2ccc(F)cc2F)CC1 c1cc(n[nH]1)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1F)NC[*:1]
O=C(NCc1cc[nH]n1)NCC1(c2ccc(F)cc2F)CC1 c1cc(C[*:1])n[nH]1 O=C(NCC1(CC1)c1ccc(F)cc1F)N[*:1]
CN(C(=O)c1cccnc1OCC(F)F)C1CCOCC1 FC(F)C[*:1] CN(C(=O)c1cccnc1O[*:1])C1CCOCC1
CN(C(=O)c1cccnc1OCC(F)F)C1CCOCC1 FC(F)CO[*:1] CN(C(=O)c1cccnc1[*:1])C1CCOCC1
CN(C(=O)c1cccnc1OCC(F)F)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)c1cccnc1OCC(F)F)[*:1]
CN(C(=O)c1cccnc1OCC(F)F)C1CCOCC1 FC(F)[*:1] CN(C(=O)c1cccnc1OC[*:1])C1CCOCC1
CC(C)[C@H](Nc1cc[nH+]cc1Cl)C(=O)N1CCOCC1 CC(C)[*:1] O=C([C@@H](Nc1cc[nH+]cc1Cl)[*:1])N1CCOCC1
C#CCN(CC(=O)[O-])Cc1cn(CC)c2ccccc12 C#CC[*:1] CCn1cc(CN(CC(=O)[O-])[*:1])c2ccccc21
C#CCN(CC(=O)[O-])Cc1cn(CC)c2ccccc12 O=C([O-])[*:1] C#CCN(Cc1cn(CC)c2ccccc12)C[*:1]
C#CCN(CC(=O)[O-])Cc1cn(CC)c2ccccc12 O=C([O-])C[*:1] C#CCN(Cc1cn(CC)c2ccccc12)[*:1]
O=C(Nc1cc(F)ccc1F)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1 Fc1ccc(F)c(c1)[*:1] O=C(N[*:1])c1cc(-c2cccnc2)n(n1)-c1ccc(F)cc1
O=C(Nc1cc(F)ccc1F)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=C(Nc1cc(F)ccc1F)c1cc(-c2cccnc2)n(n1)[*:1]
O=C(Nc1cc(F)ccc1F)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1 c1cncc(c1)[*:1] O=C(Nc1cc(F)ccc1F)c1cc(n(n1)-c1ccc(F)cc1)[*:1]
CCc1nnsc1C(=O)N1CCC[C@H](c2nc3c(C)cccc3[nH]2)C1 CCc1nnsc1[*:1] Cc1cccc2[nH]c(nc12)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 c1cc2OCCOc2cc1[*:1] CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21)[*:1]
CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 CC(C)(C)[*:1] O=C1[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)[*:1])[C@@H]2C(=O)N1c1ccc2OCCOc2c1
CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 CC(C)(C)C(=O)[*:1] O=C1[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H]([C@@H]2C(=O)N1c1ccc2OCCOc2c1)[*:1]
O=C(Oc1cccc(F)c1)C1(c2ccc(F)cc2F)CCOCC1 Fc1ccc(c(F)c1)[*:1] O=C(Oc1cccc(F)c1)C1(CCOCC1)[*:1]
O=C(Oc1cccc(F)c1)C1(c2ccc(F)cc2F)CCOCC1 Fc1cccc(c1)[*:1] O=C(O[*:1])C1(CCOCC1)c1ccc(F)cc1F
Cc1cc2ncn(C[C@H](O)CN(C)CC#N)c2cc1C CN(CC#N)[*:1] Cc1cc2ncn(C[C@H](O)C[*:1])c2cc1C
Cc1cc2ncn(C[C@H](O)CN(C)CC#N)c2cc1C CN(CC#N)C[*:1] Cc1cc2ncn(C[C@H](O)[*:1])c2cc1C
Cc1cc2ncn(C[C@H](O)CN(C)CC#N)c2cc1C N#CC[*:1] Cc1cc2ncn(C[C@H](O)CN(C)[*:1])c2cc1C
CCCc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)[C@@H]1CCCN(C1)C(=O)c1ccncc1)[*:1]
CCCc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)n(C)n1 c1cc(ccn1)[*:1] CCCc1cc(NC(=O)[C@@H]2CCCN(C2)C(=O)[*:1])n(C)n1
O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(CC1)C(=O)[*:1]
CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1Br CN(C)C(=O)[*:1] Brc1ccccc1[C@H]1C[C@@H]1[*:1]
C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CCO[C@@H]1C C[C@@H](O)[*:1] C[C@H]1OCC[C@@H]1[NH2+]CC(C)(C)C[*:1]
C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CCO[C@@H]1C C[C@@H](O)C[*:1] C[C@H]1OCC[C@@H]1[NH2+]CC(C)(C)[*:1]
Cn1c(=O)[nH]c2cc(C(=O)OCC(F)F)ccc21 FC(F)[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)OC[*:1]
Cn1c(=O)[nH]c2cc(C(=O)OCC(F)F)ccc21 FC(F)C[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)O[*:1]
C[C@@H](O)CCC(=O)NCCNS(C)(=O)=O C[C@@H](O)C[*:1] CS(=O)(=O)NCCNC(=O)C[*:1]
C[C@@H](O)CCC(=O)NCCNS(C)(=O)=O C[C@@H](O)[*:1] CS(=O)(=O)NCCNC(=O)CC[*:1]
C[C@@H](O)CCC(=O)NCCNS(C)(=O)=O CS(=O)(=O)N[*:1] C[C@@H](O)CCC(=O)NCC[*:1]
C[C@@H](O)CCC(=O)NCCNS(C)(=O)=O C[C@@H](O)CC[*:1] CS(=O)(=O)NCCNC(=O)[*:1]
CCCCC1CCC(CCC2CC2)(C(=O)[O-])CC1 CCC[*:1] O=C([O-])C1(CCC2CC2)CCC(CC1)C[*:1]
CCCCC1CCC(CCC2CC2)(C(=O)[O-])CC1 C1CC1[*:1] CCCCC1CCC(CC1)(CC[*:1])C(=O)[O-]
CCCCC1CCC(CCC2CC2)(C(=O)[O-])CC1 C1CC1CC[*:1] CCCCC1CCC(CC1)(C(=O)[O-])[*:1]
CCCCC1CCC(CCC2CC2)(C(=O)[O-])CC1 C1CC1C[*:1] CCCCC1CCC(CC1)(C[*:1])C(=O)[O-]
CCCCC1CCC(CCC2CC2)(C(=O)[O-])CC1 CCCC[*:1] O=C([O-])C1(CCC2CC2)CCC(CC1)[*:1]
CCCCC1CCC(CCC2CC2)(C(=O)[O-])CC1 O=C([O-])[*:1] CCCCC1CCC(CCC2CC2)(CC1)[*:1]
CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCc1ccccc1F Fc1ccccc1[*:1] CCC(=O)N1c2ccc(cc2C[C@H]1C(=O)NC[*:1])S(=O)(=O)N1CCCCC1
CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCc1ccccc1F O=C(NCc1ccccc1F)[*:1] CCC(=O)N1c2ccc(cc2C[C@@H]1[*:1])S(=O)(=O)N1CCCCC1
CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCc1ccccc1F O=S(=O)(N1CCCCC1)[*:1] CCC(=O)N1c2ccc(cc2C[C@H]1C(=O)NCc1ccccc1F)[*:1]
CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCc1ccccc1F Fc1ccccc1C[*:1] CCC(=O)N1c2ccc(cc2C[C@H]1C(=O)N[*:1])S(=O)(=O)N1CCCCC1
C[C@H]1Cc2cc(/C=C(\C#N)C(=O)NCCCn3ccnc3)ccc2O1 c1cn(cn1)[*:1] C[C@H]1Cc2cc(/C=C(\C#N)C(=O)NCCC[*:1])ccc2O1
C[C@H]1Cc2cc(/C=C(\C#N)C(=O)NCCCn3ccnc3)ccc2O1 c1cn(cn1)C[*:1] C[C@H]1Cc2cc(/C=C(\C#N)C(=O)NCC[*:1])ccc2O1
C[C@H]1Cc2cc(/C=C(\C#N)C(=O)NCCCn3ccnc3)ccc2O1 c1cn(cn1)CC[*:1] C[C@H]1Cc2cc(/C=C(\C#N)C(=O)NC[*:1])ccc2O1
C[C@H]1Cc2cc(/C=C(\C#N)C(=O)NCCCn3ccnc3)ccc2O1 c1cn(cn1)CCC[*:1] C[C@H]1Cc2cc(/C=C(\C#N)C(=O)N[*:1])ccc2O1
CCCc1noc([C@@H](C)S(=O)(=O)c2nc(-c3ccccc3)c[n-]2)n1 CCC[*:1] C[C@H](c1nc(no1)[*:1])S(=O)(=O)c1nc(c[n-]1)-c1ccccc1
CCCc1noc([C@@H](C)S(=O)(=O)c2nc(-c3ccccc3)c[n-]2)n1 c1ccc(cc1)[*:1] CCCc1noc(n1)[C@@H](C)S(=O)(=O)c1nc(c[n-]1)[*:1]
CCCc1noc([C@@H](C)S(=O)(=O)c2nc(-c3ccccc3)c[n-]2)n1 CCCc1noc(n1)[*:1] C[C@@H](S(=O)(=O)c1nc(c[n-]1)-c1ccccc1)[*:1]
CCC(CC)N(CC(C)C)C(=O)c1cc(N)ccc1C CC(C)[*:1] CCC(CC)N(C[*:1])C(=O)c1cc(N)ccc1C
CCC(CC)N(CC(C)C)C(=O)c1cc(N)ccc1C CC(C)C[*:1] CCC(CC)N(C(=O)c1cc(N)ccc1C)[*:1]
CCC(CC)N(CC(C)C)C(=O)c1cc(N)ccc1C CCC(CC)[*:1] Cc1ccc(N)cc1C(=O)N(CC(C)C)[*:1]
O=C(CSCC(F)(F)F)N1CCC[C@H]2CCC[C@H]21 FC(F)(F)[*:1] O=C(CSC[*:1])N1CCC[C@H]2CCC[C@H]21
O=C(CSCC(F)(F)F)N1CCC[C@H]2CCC[C@H]21 FC(F)(F)C[*:1] O=C(CS[*:1])N1CCC[C@H]2CCC[C@H]21
O=C(CSCC(F)(F)F)N1CCC[C@H]2CCC[C@H]21 FC(F)(F)CS[*:1] O=C(C[*:1])N1CCC[C@H]2CCC[C@H]21
CNS(=O)(=O)Cc1cccc(CNC(=O)c2cc(F)ccc2O)c1 Oc1ccc(F)cc1[*:1] CNS(=O)(=O)Cc1cccc(c1)CNC(=O)[*:1]
CNS(=O)(=O)Cc1cccc(CNC(=O)c2cc(F)ccc2O)c1 CNS(=O)(=O)[*:1] O=C(NCc1cccc(c1)C[*:1])c1cc(F)ccc1O
CNS(=O)(=O)Cc1cccc(CNC(=O)c2cc(F)ccc2O)c1 CNS(=O)(=O)C[*:1] O=C(NCc1cccc(c1)[*:1])c1cc(F)ccc1O
C[C@@H](CCO)C[NH2+]Cc1ncc(-c2ccccc2)s1 c1ccc(cc1)[*:1] C[C@@H](CCO)C[NH2+]Cc1ncc(s1)[*:1]
C[C@@H](CCO)C[NH2+]Cc1ncc(-c2ccccc2)s1 OCC[*:1] C[C@@H](C[NH2+]Cc1ncc(s1)-c1ccccc1)[*:1]
CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H](C)c2cc(C)oc2C)cc1 CCN(CC)C(=O)[*:1] Cc1cc(c(C)o1)[C@@H](C)NS(=O)(=O)c1ccc(cc1)[*:1]
CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H](C)c2cc(C)oc2C)cc1 Cc1cc(c(C)o1)[*:1] CCN(CC)C(=O)c1ccc(cc1)S(=O)(=O)N[C@H](C)[*:1]
COC(=O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@]3(C)O2)ccc1Cl COC(=O)[*:1] C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(C(=O)[C@@H]12)c1ccc(Cl)c(c1)[*:1]
CCc1nn2cc3c(nc2c1-c1ccc(OC)cc1)C[C@@H](c1ccc(OC)cc1OC)CC3=O COc1ccc(cc1)[*:1] CCc1nn2cc3C(=O)C[C@@H](Cc3nc2c1[*:1])c1ccc(cc1OC)OC
CCc1nn2cc3c(nc2c1-c1ccc(OC)cc1)C[C@@H](c1ccc(OC)cc1OC)CC3=O COc1ccc(c(c1)OC)[*:1] CCc1nn2cc3C(=O)C[C@H](Cc3nc2c1-c1ccc(cc1)OC)[*:1]
Cc1cccc(NC(=S)N[C@H](C)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=S)N[C@H](C)[C@@H](N2CC[NH+](C)CC2)[*:1])c1C
Cc1cccc(NC(=S)N[C@H](C)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1C Cc1cccc(c1C)[*:1] C[C@@H](NC(=S)N[*:1])[C@@H](c1ccccc1)N1CC[NH+](C)CC1
[O-][n+]1ccccc1OCC#Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] [O-][n+]1ccccc1OCC#Cc1ccc(cc1)[*:1]
[O-][n+]1ccccc1OCC#Cc1ccc(OC(F)(F)F)cc1 [O-][n+]1ccccc1[*:1] FC(F)(F)Oc1ccc(C#CCO[*:1])cc1
[O-][n+]1ccccc1OCC#Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] [O-][n+]1ccccc1OCC#Cc1ccc(cc1)O[*:1]
CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1C(=O)c2ccccc2C1=O c1ccc(cc1)[*:1] CC(C)[C@H](C(=O)NC[C@@H]([NH+]1CCCC1)[*:1])N1C(=O)c2ccccc2C1=O
CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(C2CC2)nc2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(NN=C[*:1])c1cc(nc2ccccc12)C1CC1
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(C2CC2)nc2ccccc12 C1CC1[*:1] O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(nc2ccccc12)[*:1]
CCOc1ccc(C(=O)N[C@@H](CO)c2ccco2)cn1 CCO[*:1] O=C(N[C@@H](CO)c1ccco1)c1ccc(nc1)[*:1]
CCOc1ccc(C(=O)N[C@@H](CO)c2ccco2)cn1 c1coc(c1)[*:1] CCOc1ccc(cn1)C(=O)N[C@@H](CO)[*:1]
CCC[C@@H](O)C[C@H]1CCOC2(CCOCC2)C1 CCC[C@@H](O)[*:1] C1CC2(CCO1)C[C@H](CCO2)C[*:1]
CCC[C@@H](O)C[C@H]1CCOC2(CCOCC2)C1 CCC[*:1] O[C@@H](C[C@H]1CCOC2(CCOCC2)C1)[*:1]
CSC[C@H](C)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 CSC[*:1] C[C@H](C(=O)N1CCC(CC1)c1ccc(cc1)C(F)(F)F)[*:1]
CSC[C@H](C)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] CSC[C@H](C)C(=O)N1CCC(CC1)c1ccc(cc1)[*:1]
COc1ccc(SCCC(=O)Nc2nc3cc(C)cc(C)c3s2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c2sc(nc2c1)NC(=O)CCS[*:1]
CCC[C@H](CS)Cn1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCC[C@H](CS)Cn1nnc(n1)[*:1]
CCC[C@H](CS)Cn1nnc(-c2ccccc2)n1 CCC[*:1] SC[C@H](Cn1nnc(n1)-c1ccccc1)[*:1]
CSCc1cc(NC(=O)CN2CCCOC2=O)ccc1Cl CSC[*:1] O=C(CN1CCCOC1=O)Nc1ccc(Cl)c(c1)[*:1]
CSCc1cc(NC(=O)CN2CCCOC2=O)ccc1Cl O=C1OCCCN1[*:1] CSCc1cc(ccc1Cl)NC(=O)C[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N(C)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 CCN(CC)S(=O)(=O)[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1ccccc1
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1cccc(c1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 c1ccc2[nH]c(nc2c1)[*:1] CCN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
Cc1cc(N2CC[C@@H](NC(=O)NC3CCCCC3)C2=O)ccc1F C1CCC(CC1)[*:1] Cc1cc(ccc1F)N1CC[C@@H](NC(=O)N[*:1])C1=O
Cc1cc(N2CC[C@@H](NC(=O)NC3CCCCC3)C2=O)ccc1F Cc1cc(ccc1F)[*:1] O=C(NC1CCCCC1)N[C@@H]1CCN(C1=O)[*:1]
CC(C)(CCCOc1ccc(F)cc1)C(=O)[O-] O=C([O-])[*:1] CC(C)(CCCOc1ccc(F)cc1)[*:1]
CCN(CC)C(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 FC(F)(F)[*:1] CCN(CC)C(=O)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
CCN(CC)C(=O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 FC(F)(F)c1nc(no1)[*:1] CCN(CC)C(=O)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)N(C)Cc1ccc(C#N)cc1 CC(C)C[*:1] CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C[NH3+])[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)N(C)Cc1ccc(C#N)cc1 CC(C)[*:1] CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C[NH3+])C[*:1]
CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2F)N3)C1 Fc1ccccc1[*:1] CC[C@H]1CCc2c(C1)sc1N[C@@H](N=C(O)c12)[*:1]
CCCCC1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 c1ccc(cc1)C[*:1] CCCCC1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
CCCCC1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 CCCC[*:1] O=C(C1CCC(CC1)[*:1])N1CCN(CC1)Cc1ccccc1
CCCCC1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CCCCC1CCC(CC1)C(=O)N1CCN(CC1)C[*:1]
CCCCC1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 CCC[*:1] O=C(C1CCC(CC1)C[*:1])N1CCN(CC1)Cc1ccccc1
O=C(c1ncncc1Cl)N(Cc1cc(F)ccc1F)C1CCCC1 C1CCC(C1)[*:1] O=C(c1ncncc1Cl)N(Cc1cc(F)ccc1F)[*:1]
O=C(c1ncncc1Cl)N(Cc1cc(F)ccc1F)C1CCCC1 Clc1cncnc1[*:1] O=C(N(Cc1cc(F)ccc1F)C1CCCC1)[*:1]
O=C(c1ncncc1Cl)N(Cc1cc(F)ccc1F)C1CCCC1 Fc1ccc(F)c(c1)[*:1] O=C(c1ncncc1Cl)N(C[*:1])C1CCCC1
Cc1ccc([C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1ccccc1
Cc1ccc([C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](NC(=O)c1ccccc1)[*:1]
Cc1ccc([C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](NC(=O)[*:1])c1ccccc1
Cn1cnnc1C1CC[NH+](Cc2cc(C#N)cs2)CC1 Cn1cnnc1[*:1] N#Cc1csc(c1)C[NH+]1CCC(CC1)[*:1]
O=C(Cc1ccccc1Cl)N1CCc2c(F)ccc(F)c2C1 Clc1ccccc1[*:1] O=C(C[*:1])N1CCc2c(F)ccc(F)c2C1
CC(C)(C)N(C(=O)[O-])[C@@H]1CCCCC1=O CC(C)(C)[*:1] O=C1CCCC[C@H]1N(C(=O)[O-])[*:1]
CCc1ccc([C@@H](C)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)NNC(=O)[*:1]
CCc1ccc([C@@H](C)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](C(=O)NNC(=O)Cc1ccc(F)cc1)[*:1]
CCc1ccc([C@@H](C)C(=O)NNC(=O)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)NNC(=O)C[*:1]
O=C(c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1cccc(c1)N1CCCN(Cc2ccccc2)C1=O)N1CCN(CC1)[*:1]
O=C(c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1)N1CCN(c2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)N1CCCN(C[*:1])C1=O)N1CCN(CC1)c1ccccc1F
O=C(c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1)N1CCN(c2ccccc2F)CC1 c1ccc(cc1)C[*:1] O=C(c1cccc(c1)N1CCCN(C1=O)[*:1])N1CCN(CC1)c1ccccc1F
Cn1cc(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)N[C@@H]2CCN(C2)C(=O)C2CCCC2)c(n1)[*:1]
Cn1cc(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c(C(C)(C)C)n1 C1CCC(C1)[*:1] Cn1cc(C(=O)N[C@@H]2CCN(C2)C(=O)[*:1])c(n1)C(C)(C)C
CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 c1ccc(cc1)O[*:1] CCS(=O)(=O)N1CCc2cc(ccc21)C(=O)Nc1ccc(cc1)[*:1]
CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 c1ccc(cc1)[*:1] CCS(=O)(=O)N1CCc2cc(ccc21)C(=O)Nc1ccc(cc1)O[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc2c(cc1O)OCO2 CCC[*:1] C[C@H]1CCCN(C(=O)c2cc3OCOc3cc2O)[C@@H]1[*:1]
COc1cccc2c1OC[C@H](N[C@@H](C)c1cnc(C)s1)C2 Cc1ncc(s1)[*:1] COc1cccc2C[C@H](COc21)N[C@@H](C)[*:1]
CN(C)C(=O)N1CCN(CC#N)CC1 N#CC[*:1] CN(C)C(=O)N1CCN(CC1)[*:1]
C[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CSCc1ccccc1Cl)[*:1]
C[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccccc1 Clc1ccccc1[*:1] C[C@@H](NC(=O)CSC[*:1])c1ccccc1
c1ccc(Cn2c(N3CCCCC3)nc3ccccc32)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)nc(N1CCCCC1)n2C[*:1]
c1ccc(Cn2c(N3CCCCC3)nc3ccccc32)cc1 c1ccc(cc1)C[*:1] c1ccc2c(c1)nc(N1CCCCC1)n2[*:1]
c1ccc(Cn2c(N3CCCCC3)nc3ccccc32)cc1 C1CCN(CC1)[*:1] c1ccc(cc1)Cn1c(nc2ccccc21)[*:1]
CC[C@@H]1CCC[C@](C#N)(Cc2nccs2)C1 c1csc(n1)[*:1] CC[C@@H]1CCC[C@@](C#N)(C1)C[*:1]
O[C@H](Cc1nc(-c2ccccc2)cs1)c1ccco1 c1coc(c1)[*:1] O[C@H](Cc1nc(cs1)-c1ccccc1)[*:1]
O[C@H](Cc1nc(-c2ccccc2)cs1)c1ccco1 c1ccc(cc1)[*:1] O[C@H](Cc1nc(cs1)[*:1])c1ccco1
COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2cccc(Cl)c2)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)-c1n[nH]c(c1NC(=O)c1cccc(Cl)c1)[*:1]
COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2cccc(Cl)c2)cc1OC Clc1cccc(c1)[*:1] COc1ccc(cc1OC)-c1n[nH]c(CC(C)C)c1NC(=O)[*:1]
COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2cccc(Cl)c2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)-c1n[nH]c(C[*:1])c1NC(=O)c1cccc(Cl)c1
COc1ccc2c(=O)c(-c3ccc(N)cc3)c(C)oc2c1 Nc1ccc(cc1)[*:1] COc1ccc2c(=O)c(c(C)oc2c1)[*:1]
CCOc1cc(C(=O)NCC(=O)OC)nn1-c1ccccc1 CCO[*:1] COC(=O)CNC(=O)c1cc(n(n1)-c1ccccc1)[*:1]
CCOc1cc(C(=O)NCC(=O)OC)nn1-c1ccccc1 COC(=O)[*:1] CCOc1cc(nn1-c1ccccc1)C(=O)NC[*:1]
CCOc1cc(C(=O)NCC(=O)OC)nn1-c1ccccc1 COC(=O)C[*:1] CCOc1cc(nn1-c1ccccc1)C(=O)N[*:1]
CCOc1cc(C(=O)NCC(=O)OC)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCOc1cc(nn1[*:1])C(=O)NCC(=O)OC
CSc1ccc(C[NH+](CCO)Cc2ccc(C#CC(C)(C)O)s2)cc1 CSc1ccc(cc1)[*:1] CC(C)(O)C#Cc1ccc(C[NH+](CCO)C[*:1])s1
CSc1ccc(C[NH+](CCO)Cc2ccc(C#CC(C)(C)O)s2)cc1 CC(C)(O)[*:1] CSc1ccc(cc1)C[NH+](CCO)Cc1ccc(C#C[*:1])s1
CSc1ccc(C[NH+](CCO)Cc2ccc(C#CC(C)(C)O)s2)cc1 CC(C)(O)C#C[*:1] CSc1ccc(cc1)C[NH+](CCO)Cc1ccc(s1)[*:1]
CSC[C@H]1CCCN1C(=O)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] CSC[C@H]1CCCN1C(=O)Nc1c[nH]nc1[*:1]
CSC[C@H]1CCCN1C(=O)Nc1c[nH]nc1-c1ccccn1 CSC[*:1] O=C(Nc1c[nH]nc1-c1ccccn1)N1CCC[C@@H]1[*:1]
Cc1c(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(cnn1[*:1])C(=O)[C@H](C#N)c1nnc2CCCCCn21
C[S@@](=O)c1ccc(NC(=O)N[C@H](CO)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] C[S@@](=O)c1ccc(cc1)NC(=O)N[C@H](CO)[*:1]
C[S@@](=O)c1ccc(NC(=O)N[C@H](CO)c2ccc(Cl)cc2)cc1 C[S@@](=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H](CO)c1ccc(Cl)cc1
Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)N1CCO[C@H](C1)[*:1]
Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CCO[C@@H](C1)c1ccc(Cl)cc1
CC[C@@H](C)NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 Cc1cc(Cl)ccc1[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)CO[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 CC[C@@H](C)[*:1] Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 CC[C@@H](C)NC(=O)[*:1] Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)[*:1]
Cc1cnn(CCCNC(=O)NC[C@H]2CCC[C@@H]2O)c1 Cc1cnn(c1)[*:1] O=C(NCCC[*:1])NC[C@H]1CCC[C@@H]1O
O=C(Cn1cc(Br)ccc1=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(Cn1cc(Br)ccc1=O)NC[*:1]
O=C(Cn1cc(Br)ccc1=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(Cn1cc(Br)ccc1=O)N[*:1]
CCc1onc(C)c1NC(=O)/C=C/c1ccc(OCc2ccccn2)cc1 c1ccc(nc1)[*:1] CCc1onc(C)c1NC(=O)/C=C/c1ccc(cc1)OC[*:1]
CCc1onc(C)c1NC(=O)/C=C/c1ccc(OCc2ccccn2)cc1 c1ccc(CO[*:1])nc1 CCc1onc(C)c1NC(=O)/C=C/c1ccc(cc1)[*:1]
CCc1onc(C)c1NC(=O)/C=C/c1ccc(OCc2ccccn2)cc1 c1ccc(C[*:1])nc1 CCc1onc(C)c1NC(=O)/C=C/c1ccc(cc1)O[*:1]
CCc1onc(C)c1NC(=O)/C=C/c1ccc(OCc2ccccn2)cc1 CCc1onc(C)c1[*:1] O=C(/C=C/c1ccc(cc1)OCc1ccccn1)N[*:1]
Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(Br)o3)nc2c1C Brc1ccc(o1)[*:1] Cc1ccc2sc(nc2c1C)N(CC[NH+](C)C)C(=O)[*:1]
COc1cc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)cc(OC)c1OC Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)c1ccc(=O)n(n1)[*:1]
CCOC(=O)[C@H](C)n1nnc2ccccc21 CCOC(=O)[*:1] C[C@H](n1nnc2ccccc21)[*:1]
Cc1cccc(Cn2c(=O)c3c(nc4n(-c5ccc(C(N)=O)cc5)c(C)cn34)n(C)c2=O)c1 Cc1cccc(c1)[*:1] Cc1cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1-c1ccc(cc1)C(N)=O
Cc1cccc(Cn2c(=O)c3c(nc4n(-c5ccc(C(N)=O)cc5)c(C)cn34)n(C)c2=O)c1 Cc1cccc(c1)C[*:1] Cc1cn2c3c(=O)n(c(=O)n(C)c3nc2n1-c1ccc(cc1)C(N)=O)[*:1]
Cc1cccc(Cn2c(=O)c3c(nc4n(-c5ccc(C(N)=O)cc5)c(C)cn34)n(C)c2=O)c1 NC(=O)c1ccc(cc1)[*:1] Cc1cccc(c1)Cn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
Cc1cccc(Cn2c(=O)c3c(nc4n(-c5ccc(C(N)=O)cc5)c(C)cn34)n(C)c2=O)c1 NC(=O)[*:1] Cc1cccc(c1)Cn1c(=O)c2c(nc3n(-c4ccc(cc4)[*:1])c(C)cn23)n(C)c1=O
CCc1nc2ccc(C(=O)Nc3ccc(C)cn3)cc2nc1CC Cc1ccc(nc1)[*:1] CCc1nc2ccc(cc2nc1CC)C(=O)N[*:1]
Fc1ccc(CCn2c(CCCl)nc3cnccc32)cc1 ClCC[*:1] Fc1ccc(cc1)CCn1c(nc2cnccc21)[*:1]
Fc1ccc(CCn2c(CCCl)nc3cnccc32)cc1 Fc1ccc(cc1)[*:1] ClCCc1nc2cnccc2n1CC[*:1]
COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)Cc1ccsc1)CC2 c1cc(cs1)C[*:1] COCc1nc2CC[C@H](Cn2n1)[NH2+][C@H](C)[*:1]
COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)Cc1ccsc1)CC2 COC[*:1] C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCc2nc(nn2C1)[*:1]
COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)Cc1ccsc1)CC2 c1cc(cs1)[*:1] COCc1nc2CC[C@H](Cn2n1)[NH2+][C@H](C)C[*:1]
Cc1cc(C)nc(N/N=C/c2ccc(N3CCOCC3)s2)n1 C1CN(CCO1)[*:1] Cc1cc(C)nc(n1)N/N=C/c1ccc(s1)[*:1]
C[C@H](C1CC1)N(C)C(=O)NCC[NH+]1CCCCC1 C[C@H](C1CC1)[*:1] CN(C(=O)NCC[NH+]1CCCCC1)[*:1]
C[C@H](C1CC1)N(C)C(=O)NCC[NH+]1CCCCC1 C1CC1[*:1] C[C@H](N(C)C(=O)NCC[NH+]1CCCCC1)[*:1]
CCCc1nc(C)c(C(=O)Oc2cccc(C(=O)N(C)C)c2)s1 CCC[*:1] Cc1nc(sc1C(=O)Oc1cccc(c1)C(=O)N(C)C)[*:1]
CCCc1nc(C)c(C(=O)Oc2cccc(C(=O)N(C)C)c2)s1 CN(C)C(=O)[*:1] CCCc1nc(C)c(s1)C(=O)Oc1cccc(c1)[*:1]
Cc1cc(C)c(OC(=O)c2cn(Cc3cccnc3)nn2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C)c(OC(=O)c2cn(Cc3cccnc3)nn2)c(c1)[*:1]
Cc1cc(C)c(OC(=O)c2cn(Cc3cccnc3)nn2)c([N+](=O)[O-])c1 c1cncc(c1)[*:1] Cc1cc(C)c(OC(=O)c2cn(C[*:1])nn2)c(c1)[N+](=O)[O-]
Cc1cc(C)c(OC(=O)c2cn(Cc3cccnc3)nn2)c([N+](=O)[O-])c1 c1cncc(c1)C[*:1] Cc1cc(C)c(OC(=O)c2cn(nn2)[*:1])c(c1)[N+](=O)[O-]
O=C(Cc1ccc(F)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(Cc1ccc(F)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
O=C(Cc1ccc(F)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 Fc1ccc(cc1)[*:1] O=C(C[*:1])/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1
O=C(Cc1ccc(F)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 Fc1ccc(cc1)C[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1)[*:1]
Cc1ccc(NC(=O)Nc2nnc(CSCc3ccccc3Cl)s2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nnc(CSCc2ccccc2Cl)s1)N[*:1]
Cc1ccc(NC(=O)Nc2nnc(CSCc3ccccc3Cl)s2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)Nc1nnc(CSC[*:1])s1
Cc1ccc(NC(=O)Nc2nnc(CSCc3ccccc3Cl)s2)cc1 Clc1ccccc1C[*:1] Cc1ccc(cc1)NC(=O)Nc1nnc(CS[*:1])s1
CN(C)C(=O)c1cn(-c2cccc(Br)c2)nn1 CN(C)C(=O)[*:1] Brc1cccc(c1)-n1cc(nn1)[*:1]
CC[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)[C@H](C)C(=O)Nc1cccc(c1)[*:1]
C[NH+](C)CC(=O)NNC(=O)c1occc1-c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)CC(=O)NNC(=O)c1occc1[*:1]
O=C(NC(=S)Nc1ccccc1C(=O)[O-])c1ccc2ccccc2c1 O=C([O-])[*:1] O=C(NC(=S)Nc1ccccc1[*:1])c1ccc2ccccc2c1
CC(=O)Nc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1 Cn1nccc1[*:1] CC(=O)Nc1ccc(cc1)-c1nc(no1)-c1cccc(c1)[*:1]
CC(=O)Nc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1 CC(=O)N[*:1] Cn1nccc1-c1cccc(c1)-c1noc(n1)-c1ccc(cc1)[*:1]
Cc1cc(C)cc(-c2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CCSc1nnc(o1)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
Cc1cc(C)cc(-c2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)-c1nnc(o1)SCCC(=O)N[*:1]
Cc1cc(C)cc(-c2nnc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)-c1nnc(o1)SCCC(=O)Nc1ccc(cc1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 c1ccc(cc1)OC[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)c1ccccc1OC[*:1]
NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)c1ccccc1OCCO[*:1]
NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 NC(=O)[*:1] O=C(c1ccccc1OCCOc1ccccc1)N1CCC[C@@H](C1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 c1ccc(cc1)OCC[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)c1ccccc1O[*:1]
NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 c1ccc(cc1)O[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)c1ccccc1OCC[*:1]
C[C@@H](CS(C)(=O)=O)N(CC1=Cc2ccccc2OC1)C1CC1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(CC1=Cc2ccccc2OC1)C1CC1
C[C@@H](CS(C)(=O)=O)N(CC1=Cc2ccccc2OC1)C1CC1 C1CC1[*:1] C[C@@H](CS(C)(=O)=O)N(CC1=Cc2ccccc2OC1)[*:1]
C[C@@H](CS(C)(=O)=O)N(CC1=Cc2ccccc2OC1)C1CC1 CS(=O)(=O)C[*:1] C[C@@H](N(CC1=Cc2ccccc2OC1)C1CC1)[*:1]
C[C@@H](CSc1ccccc1)C(=O)NCc1ccc([S@@](C)=O)cc1 c1ccc(cc1)S[*:1] C[C@@H](C[*:1])C(=O)NCc1ccc(cc1)[S@@](C)=O
C[C@@H](CSc1ccccc1)C(=O)NCc1ccc([S@@](C)=O)cc1 c1ccc(cc1)[*:1] C[C@@H](CS[*:1])C(=O)NCc1ccc(cc1)[S@@](C)=O
C[C@@H](CSc1ccccc1)C(=O)NCc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] C[C@@H](CSc1ccccc1)C(=O)NCc1ccc(cc1)[*:1]
CCOc1ccccc1N1CCN(C(=O)Nc2cc(OC)ccc2F)CC1 CCOc1ccccc1[*:1] COc1ccc(F)c(c1)NC(=O)N1CCN(CC1)[*:1]
CCOc1ccccc1N1CCN(C(=O)Nc2cc(OC)ccc2F)CC1 CCO[*:1] COc1ccc(F)c(c1)NC(=O)N1CCN(CC1)c1ccccc1[*:1]
CCOc1ccccc1N1CCN(C(=O)Nc2cc(OC)ccc2F)CC1 COc1ccc(F)c(c1)[*:1] CCOc1ccccc1N1CCN(CC1)C(=O)N[*:1]
CNC(=O)C1=CCN(C(=O)NC2CCCC2)CC1 CNC(=O)[*:1] O=C(NC1CCCC1)N1CC=C(CC1)[*:1]
CNC(=O)C1=CCN(C(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] CNC(=O)C1=CCN(CC1)C(=O)N[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc2c(c1)OCCO2 NC(=O)[*:1] O=C(CN1Cc2ccccc2C[C@H]1[*:1])Nc1ccc2OCCOc2c1
CC[C@H](NC(=O)N1CCC(Cc2cccc(F)c2)CC1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)N1CCC(CC1)Cc1cccc(F)c1)[*:1]
CC[C@H](NC(=O)N1CCC(Cc2cccc(F)c2)CC1)c1ccncc1 Fc1cccc(c1)[*:1] CC[C@H](NC(=O)N1CCC(CC1)C[*:1])c1ccncc1
CC[C@H](NC(=O)N1CCC(Cc2cccc(F)c2)CC1)c1ccncc1 Fc1cccc(c1)C[*:1] CC[C@H](NC(=O)N1CCC(CC1)[*:1])c1ccncc1
CCN(C(=O)c1cc(F)ccc1F)[C@@H]1CCN(c2ccccc2)C1=O Fc1ccc(F)c(c1)[*:1] CCN(C(=O)[*:1])[C@@H]1CCN(C1=O)c1ccccc1
CCN(C(=O)c1cc(F)ccc1F)[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCN(C(=O)c1cc(F)ccc1F)[C@@H]1CCN(C1=O)[*:1]
Cn1cncc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 Cn1cncc1[*:1] O=C(N1CCC[C@@H](CCc2ccc(F)cc2)C1)[*:1]
Cn1cncc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] Cn1cncc1C(=O)N1CCC[C@@H](CC[*:1])C1
CCCCn1c([S@@](=O)CCc2scnc2C)n[nH]c1=O CCCC[*:1] Cc1ncsc1CC[S@](=O)c1n[nH]c(=O)n1[*:1]
CCCCn1c([S@@](=O)CCc2scnc2C)n[nH]c1=O Cc1ncsc1[*:1] CCCCn1c(n[nH]c1=O)[S@@](=O)CC[*:1]
CCCCn1c([S@@](=O)CCc2scnc2C)n[nH]c1=O CCC[*:1] Cc1ncsc1CC[S@](=O)c1n[nH]c(=O)n1C[*:1]
CCOC(=O)c1coc(NC(=O)NCCOC)n1 CCOC(=O)[*:1] COCCNC(=O)Nc1nc(co1)[*:1]
CCOC(=O)c1coc(NC(=O)NCCOC)n1 COC[*:1] CCOC(=O)c1coc(n1)NC(=O)NC[*:1]
CCOC(=O)c1coc(NC(=O)NCCOC)n1 COCC[*:1] CCOC(=O)c1coc(n1)NC(=O)N[*:1]
C[C@@H](CCc1ccccc1)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)Cn1ncc2c(=O)oc3ccccc3c21)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)Cn1ncc2c(=O)oc3ccccc3c21
C[C@@H](CCc1ccccc1)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)Cn1ncc2c(=O)oc3ccccc3c21
CCC(C)(C)C1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 CCC(C)(C)[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CCC(CC1)[*:1]
CCC(C)(C)C1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 CS(=O)(=O)[*:1] CCC(C)(C)C1CCC(CC1)NS(=O)(=O)c1ccc(cc1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)[C@@H](C[*:1])n1cnnn1
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 c1nnnn1[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)[C@@H](Cc1ccccc1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)[C@@H](n1cnnn1)[*:1]
C=CC(=O)NCCNC(=O)c1ccccc1C(C)=O C=CC(=O)N[*:1] CC(=O)c1ccccc1C(=O)NCC[*:1]
C=CC(=O)NCCNC(=O)c1ccccc1C(C)=O C=CC(=O)NC[*:1] CC(=O)c1ccccc1C(=O)NC[*:1]
C=CC(=O)NCCNC(=O)c1ccccc1C(C)=O CC(=O)[*:1] C=CC(=O)NCCNC(=O)c1ccccc1[*:1]
CCOC(=O)N1CCC[C@@H](C(=O)OC)C1 COC(=O)[*:1] CCOC(=O)N1CCC[C@@H](C1)[*:1]
CC[C@H](C)Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)[*:1]
CC[C@H](C)Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 CC[C@H](C)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
CC[C@H](C)Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 CC[C@H](C)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccc(Cl)cc1
CC(C)c1nc2cc(NC(=O)C(=O)NC[C@H]3CCC[C@@H](C)C3)ccc2o1 CC(C)[*:1] C[C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc3oc(nc3c2)[*:1])C1
O=C(Nc1cccc(NC(=O)c2cccs2)c1)C(=O)NC1CCCCCCC1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])C(=O)NC1CCCCCCC1
O=C(Nc1cccc(NC(=O)c2cccs2)c1)C(=O)NC1CCCCCCC1 O=C(N[*:1])c1cccs1 O=C(Nc1cccc(c1)[*:1])C(=O)NC1CCCCCCC1
O=C(Nc1cccc(NC(=O)c2cccs2)c1)C(=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] O=C(Nc1cccc(c1)NC(=O)c1cccs1)C(=O)N[*:1]
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 Fc1ccc(cc1)O[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc(nc1)[*:1]
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 Fc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc(nc1)O[*:1]
COC(=O)[C@@H](CSc1ccncc1)NC(C)C COC(=O)[*:1] CC(C)N[C@H](CSc1ccncc1)[*:1]
COC(=O)[C@@H](CSc1ccncc1)NC(C)C CC(C)N[*:1] COC(=O)[C@@H](CSc1ccncc1)[*:1]
COC(=O)[C@@H](CSc1ccncc1)NC(C)C CC(C)[*:1] COC(=O)[C@@H](CSc1ccncc1)N[*:1]
C[C@@H]1C[C@@H]1C(=O)NCC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1C(=O)NCC(=O)NCc1ccc(cc1)O[*:1]
C[C@@H]1C[C@@H]1C(=O)NCC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)O[*:1] C[C@@H]1C[C@@H]1C(=O)NCC(=O)NCc1ccc(cc1)[*:1]
C=CCNC(=S)NNC(=O)Cn1ccc2ccccc21 C=CC[*:1] O=C(Cn1ccc2ccccc21)NNC(=S)N[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3cccnc3)CC2)c1 c1cncc(c1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)C1CCN(CC1)C(=O)[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3cccnc3)CC2)c1 COc1ccc(OC)c(c1)[*:1] O=C(c1cccnc1)N1CCC(CC1)C(=O)N1CCC[C@H]1[*:1]
CC(C)Nc1cccc(CNC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)c1 CC(C)N[*:1] O=C(NCc1cccc(c1)[*:1])N1C[C@H](O)C[C@@H]1C1CCCCC1
CC(C)Nc1cccc(CNC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)c1 C1CCC(CC1)[*:1] CC(C)Nc1cccc(c1)CNC(=O)N1C[C@H](O)C[C@H]1[*:1]
CC(C)Nc1cccc(CNC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)c1 CC(C)[*:1] O=C(NCc1cccc(c1)N[*:1])N1C[C@H](O)C[C@@H]1C1CCCCC1
C/C(=N/NC(=S)Nc1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1 c1ccc(cc1)[*:1] C/C(=N/NC(=S)N[*:1])c1ccc(cc1)NC(=O)C(F)(F)F
C/C(=N/NC(=S)Nc1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1 FC(F)(F)[*:1] C/C(=N/NC(=S)Nc1ccccc1)c1ccc(cc1)NC(=O)[*:1]
C/C(=N/NC(=S)Nc1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1 O=C(N[*:1])C(F)(F)F C/C(=N/NC(=S)Nc1ccccc1)c1ccc(cc1)[*:1]
CC[NH2+][C@H](CC)[C@H](C)Cc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[NH2+][C@H](CC)[C@H](C)Cc1cc(Cl)ccc1[*:1]
CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 CC(C)S[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2C[C@@H](O)COc1ccc(Cl)cc1)[*:1]
CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)CO[*:1]
CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 Clc1ccc(cc1)OC[*:1] CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)[*:1]
CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)C[*:1]
CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 CC(C)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(S[*:1])n2C[C@@H](O)COc1ccc(Cl)cc1
O=C(CSc1ccc(Br)cc1)NC[C@H]1COc2ccccc2O1 Brc1ccc(cc1)[*:1] O=C(CS[*:1])NC[C@H]1COc2ccccc2O1
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])cc1F O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)c1ccc(cc1F)[N+](=O)[O-])[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] C[C@@H]1[C@H](CCN1C(=O)c1ccc(cc1F)[*:1])C(=O)[O-]
CCC[C@H](C)NC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1 Clc1ccccc1[*:1] CCC[C@H](C)NC(=O)c1cn2cc(n(C)c(=O)c2n1)[*:1]
CCC[C@H](C)NC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1 CCC[C@H](C)NC(=O)[*:1] Cn1c(cn2cc(nc2c1=O)[*:1])-c1ccccc1Cl
CCC[C@H](C)NC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1 CCC[*:1] C[C@H](NC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1)[*:1]
CCC[C@H](C)NC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1 CCC[C@H](C)[*:1] Cn1c(cn2cc(nc2c1=O)C(=O)N[*:1])-c1ccccc1Cl
CCc1ccc([C@H](C)CC(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1 C[C@@H](CS(C)(=O)=O)[*:1] CCc1ccc(cc1)[C@H](C)CC(=O)N(C)[*:1]
CCc1ccc([C@H](C)CC(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCc1ccc(cc1)[C@H](C)CC(=O)N(C)[C@@H](C)C[*:1]
CCc1ccc([C@H](C)CC(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] CCc1ccc(cc1)[C@H](C)CC(=O)N(C)[C@@H](C)[*:1]
COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 CC(=O)[*:1] COc1cc(ccc1OCC(=O)N[C@@H]1CCC[C@H](C1)C(F)(F)F)[*:1]
COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] COc1cc(ccc1OCC(=O)N[C@@H]1CCC[C@@H](C1)[*:1])C(C)=O
CNS(=O)(=O)c1cccc(CNC(=O)N(C)[C@H](C)c2ccco2)c1 c1coc(c1)[*:1] CNS(=O)(=O)c1cccc(c1)CNC(=O)N(C)[C@H](C)[*:1]
CNS(=O)(=O)c1cccc(CNC(=O)N(C)[C@H](C)c2ccco2)c1 CNS(=O)(=O)[*:1] C[C@H](c1ccco1)N(C)C(=O)NCc1cccc(c1)[*:1]
COc1ccccc1OCC(=O)N1CC[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 COc1ccccc1O[*:1] CN(C)C(=O)c1cc(nc2ccccc12)[C@H]1CCN(C1)C(=O)C[*:1]
COc1ccccc1OCC(=O)N1CC[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 COc1ccccc1OC[*:1] CN(C)C(=O)c1cc(nc2ccccc12)[C@H]1CCN(C1)C(=O)[*:1]
COc1ccccc1OCC(=O)N1CC[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 CN(C)C(=O)[*:1] COc1ccccc1OCC(=O)N1CC[C@@H](C1)c1cc(c2ccccc2n1)[*:1]
COc1ccccc1OCC(=O)N1CC[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 COc1ccccc1[*:1] CN(C)C(=O)c1cc(nc2ccccc12)[C@H]1CCN(C1)C(=O)CO[*:1]
Cc1csc2nc(CSc3nnc(C4CC4)n3Cc3ccco3)cc(=O)n12 C1CC1[*:1] Cc1csc2nc(cc(=O)n12)CSc1nnc(n1Cc1ccco1)[*:1]
Cc1csc2nc(CSc3nnc(C4CC4)n3Cc3ccco3)cc(=O)n12 c1coc(c1)[*:1] Cc1csc2nc(cc(=O)n12)CSc1nnc(C2CC2)n1C[*:1]
Cc1csc2nc(CSc3nnc(C4CC4)n3Cc3ccco3)cc(=O)n12 c1coc(c1)C[*:1] Cc1csc2nc(cc(=O)n12)CSc1nnc(C2CC2)n1[*:1]
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(ccc1[*:1])[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(F)F CCO[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@@H](c3ccc(OC(F)F)c(c3)[*:1])c12
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(F)F FC(F)[*:1] CCOc1cc(ccc1O[*:1])[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21
C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Cn1ccnc1 c1cn(cn1)C[*:1] C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)[*:1]
C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Cn1ccnc1 c1cn(cn1)[*:1] C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C[*:1]
C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Cn1ccnc1 CC(C)(C)[*:1] C[C@@H](CNC(=O)O[*:1])N(C)C(=O)Cn1ccnc1
COC(=O)NCC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F COC(=O)NC[*:1] O=C(N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)[*:1]
COC(=O)NCC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F COC(=O)N[*:1] O=C(C[*:1])N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F
N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] N#Cc1ccccc1S(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccoc1[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 Cc1ccoc1[*:1] C[C@@H]([NH2+][C@@H](c1ccc2OCCOc2c1)C1CC1)[*:1]
Cc1ccoc1[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] Cc1ccoc1[C@@H](C)[NH2+][C@@H](c1ccc2OCCOc2c1)[*:1]
CC[C@@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)[*:1]
CC[C@@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 O=C(N1CCCC1)[*:1] CC[C@@H](C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
C[C@@H](Cc1ccco1)NC(=O)N1CCN(c2nccs2)CC1 c1coc(c1)C[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1nccs1)[*:1]
C[C@@H](Cc1ccco1)NC(=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] C[C@@H](Cc1ccco1)NC(=O)N1CCN(CC1)[*:1]
C[C@@H](Cc1ccco1)NC(=O)N1CCN(c2nccs2)CC1 c1coc(c1)[*:1] C[C@@H](C[*:1])NC(=O)N1CCN(CC1)c1nccs1
CC(C)[C@@H](C)N(C(=O)NCc1ccnc(OC2CCC2)c1)C1CC1 C1CC(C1)O[*:1] CC(C)[C@@H](C)N(C(=O)NCc1ccnc(c1)[*:1])C1CC1
CC(C)[C@@H](C)N(C(=O)NCc1ccnc(OC2CCC2)c1)C1CC1 C1CC(C1)[*:1] CC(C)[C@@H](C)N(C(=O)NCc1ccnc(c1)O[*:1])C1CC1
CC(C)[C@@H](C)N(C(=O)NCc1ccnc(OC2CCC2)c1)C1CC1 C1CC1[*:1] CC(C)[C@@H](C)N(C(=O)NCc1ccnc(c1)OC1CCC1)[*:1]
CC(C)[C@@H](C)N(C(=O)NCc1ccnc(OC2CCC2)c1)C1CC1 CC(C)[*:1] C[C@@H](N(C(=O)NCc1ccnc(c1)OC1CCC1)C1CC1)[*:1]
CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1COc2ccccc21 CC[C@H](C)[*:1] C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)[*:1]
CNC(=O)c1ccc(OCc2cc(=O)n3ccccc3n2)cc1 CNC(=O)[*:1] O=c1cc(COc2ccc(cc2)[*:1])nc2ccccn12
CCCNC(=O)[C@@H](C)n1c(=S)[nH]c2cc(Br)cnc21 CCC[*:1] C[C@H](C(=O)N[*:1])n1c(=S)[nH]c2cc(Br)cnc21
CCCNC(=O)[C@@H](C)n1c(=S)[nH]c2cc(Br)cnc21 CCCNC(=O)[*:1] C[C@@H](n1c(=S)[nH]c2cc(Br)cnc21)[*:1]
CC1(C)C(C(=O)NC[C@@H](O)c2ccccc2)C1(C)C c1ccc(cc1)[*:1] CC1(C)C(C(=O)NC[C@@H](O)[*:1])C1(C)C
CCC[C@@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c(F)c1 CCC[C@@H](C)[*:1] Cc1ccc(cc1F)[C@H](C)N[C@@H](C)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c(F)c1 CCC[*:1] Cc1ccc(cc1F)[C@H](C)N[C@@H](C)C(=O)N[C@H](C)[*:1]
Cc1ccccc1OCC(=O)N/N=C\c1ccccn1 c1ccc(nc1)[*:1] Cc1ccccc1OCC(=O)NN=C[*:1]
CCC[C@H]1C[C@@H]1NC(=O)N1CC[C@H](CSC)C1 CCC[*:1] CSC[C@H]1CCN(C1)C(=O)N[C@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@@H]1NC(=O)N1CC[C@H](CSC)C1 CSC[*:1] CCC[C@H]1C[C@@H]1NC(=O)N1CC[C@H](C1)[*:1]
N#CCc1cccc(C(=O)Nc2cc(C(N)=O)c(F)cc2F)c1 N#CC[*:1] NC(=O)c1cc(NC(=O)c2cccc(c2)[*:1])c(F)cc1F
N#CCc1cccc(C(=O)Nc2cc(C(N)=O)c(F)cc2F)c1 NC(=O)[*:1] N#CCc1cccc(c1)C(=O)Nc1cc(c(F)cc1F)[*:1]
CC(C)[C@@H]([NH3+])CCc1ccccc1Br CC(C)[*:1] [NH3+][C@@H](CCc1ccccc1Br)[*:1]
Cc1nc(/C=C/C[NH2+]C(C)C)cs1 CC(C)[*:1] Cc1nc(/C=C/C[NH2+][*:1])cs1
C=C(C)CN(CC)C(=O)CS/C(N)=N/c1ccccc1 C=C(C)[*:1] CCN(C[*:1])C(=O)CS/C(N)=N/c1ccccc1
C=C(C)CN(CC)C(=O)CS/C(N)=N/c1ccccc1 c1ccc(cc1)[*:1] C=C(C)CN(CC)C(=O)CSC(N)=N[*:1]
C=C(C)CN(CC)C(=O)CS/C(N)=N/c1ccccc1 C=C(C)C[*:1] CCN(C(=O)CS/C(N)=N/c1ccccc1)[*:1]
O=C(Nc1ccc(F)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)c1c(O)c2ccccc2n(c1=O)[*:1]
O=C(Nc1ccc(F)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O Fc1ccc(cc1)[*:1] O=C(N[*:1])c1c(O)c2ccccc2n(-c2ccccc2)c1=O
C=CCCC[C@H](C)N1CCO[C@H]([C@@H]2CCCO2)C1 C=CC[*:1] C[C@@H](CC[*:1])N1CCO[C@@H](C1)[C@@H]1CCCO1
C=CCCC[C@H](C)N1CCO[C@H]([C@@H]2CCCO2)C1 C=CCC[*:1] C[C@@H](C[*:1])N1CCO[C@@H](C1)[C@@H]1CCCO1
C=CCCC[C@H](C)N1CCO[C@H]([C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] C=CCCC[C@H](C)N1CCO[C@H](C1)[*:1]
C=CCCC[C@H](C)N1CCO[C@H]([C@@H]2CCCO2)C1 C=CCCC[*:1] C[C@H](N1CCO[C@@H](C1)[C@@H]1CCCO1)[*:1]
COc1ccc(-n2cc(CNC(=O)c3ccc(C)c(C)c3)nn2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)NCc1cn(nn1)[*:1]
COc1ccc(-n2cc(CNC(=O)c3ccc(C)c(C)c3)nn2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)-n1cc(CNC(=O)[*:1])nn1
CC(C)CCOc1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1 CC(C)CC[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CCC(CC1)N1CCCC1=O
CC(C)CCOc1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1 O=C1CCCN1[*:1] CC(C)CCOc1ccc(cc1)NC(=O)N1CCC(CC1)[*:1]
CC(C)CCOc1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)OCC[*:1])N1CCC(CC1)N1CCCC1=O
CC(C)CCOc1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)OC[*:1])N1CCC(CC1)N1CCCC1=O
CC(C)CCOc1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1 CC(C)CCO[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC(CC1)N1CCCC1=O
O=C1c2ccccc2C(=O)N1CCSc1ccc(-c2ccncc2)nn1 c1cc(ccn1)[*:1] O=C1c2ccccc2C(=O)N1CCSc1ccc(nn1)[*:1]
COc1ccccc1Oc1ncnc(Nc2ccccc2C)c1[N+](=O)[O-] COc1ccccc1[*:1] Cc1ccccc1Nc1ncnc(O[*:1])c1[N+](=O)[O-]
COc1ccccc1Oc1ncnc(Nc2ccccc2C)c1[N+](=O)[O-] Cc1ccccc1[*:1] COc1ccccc1Oc1ncnc(N[*:1])c1[N+](=O)[O-]
COc1ccccc1Oc1ncnc(Nc2ccccc2C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1Oc1ncnc(Nc2ccccc2C)c1[*:1]
COc1ccccc1Oc1ncnc(Nc2ccccc2C)c1[N+](=O)[O-] Cc1ccccc1N[*:1] COc1ccccc1Oc1ncnc(c1[N+](=O)[O-])[*:1]
CC(C)[C@H](C)NC(=O)CCCN1C(=O)COc2ccccc21 CC(C)[*:1] C[C@H](NC(=O)CCCN1C(=O)COc2ccccc21)[*:1]
CC(C)[C@H](C)NC(=O)CCCN1C(=O)COc2ccccc21 CC(C)[C@H](C)[*:1] O=C(CCCN1C(=O)COc2ccccc21)N[*:1]
CNC(=O)Nc1ccc(NC(=O)C2=Cc3cc(F)ccc3OC2)cc1 CNC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])C1=Cc2cc(F)ccc2OC1
COC(=O)c1sc2ncn(CC(=O)Nc3ccccc3)c(=O)c2c1C c1ccc(cc1)[*:1] COC(=O)c1sc2ncn(CC(=O)N[*:1])c(=O)c2c1C
COC(=O)c1sc2ncn(CC(=O)Nc3ccccc3)c(=O)c2c1C COC(=O)[*:1] Cc1c(sc2ncn(CC(=O)Nc3ccccc3)c(=O)c12)[*:1]
Cn1cnnc1C1CC[NH+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 CC(C)(C)[*:1] Cn1cnnc1C1CC[NH+](CC1)Cc1cccc2CCN(C(=O)O[*:1])c21
Cn1cnnc1C1CC[NH+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 Cn1cnnc1[*:1] CC(C)(C)OC(=O)N1CCc2cccc(C[NH+]3CCC(CC3)[*:1])c21
C[C@@H]1CN(C(=O)c2csc(CC[NH3+])n2)C[C@H]1C [NH3+]CC[*:1] C[C@@H]1CN(C[C@H]1C)C(=O)c1csc(n1)[*:1]
C[C@H]1Cc2cc(-c3cc(CC(=O)Nc4ccc(Br)cc4)no3)ccc2O1 Brc1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2O1)-c1cc(CC(=O)N[*:1])no1
COC(=O)NC(C)(C)C(=O)N(C)Cc1c(C)nc2sc(C)cn12 COC(=O)N[*:1] Cc1cn2c(CN(C)C(=O)C(C)(C)[*:1])c(C)nc2s1
COCCCCn1nnc(-c2cc(OC)ccc2Br)n1 COCC[*:1] COc1ccc(Br)c(c1)-c1nnn(CC[*:1])n1
COCCCCn1nnc(-c2cc(OC)ccc2Br)n1 COCCCC[*:1] COc1ccc(Br)c(c1)-c1nnn(n1)[*:1]
COCCCCn1nnc(-c2cc(OC)ccc2Br)n1 COCCC[*:1] COc1ccc(Br)c(c1)-c1nnn(C[*:1])n1
COCCCCn1nnc(-c2cc(OC)ccc2Br)n1 COC[*:1] COc1ccc(Br)c(c1)-c1nnn(CCC[*:1])n1
O=C(c1ccccn1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 c1ccc(nc1)[*:1] O=C(N1CCC[C@@H](CCc2ccc(F)cc2)C1)[*:1]
O=C(c1ccccn1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(c1ccccn1)N1CCC[C@@H](CC[*:1])C1
Cc1noc(C)c1CCCNC(=O)c1cnn(C)c1-n1cccc1 Cc1noc(C)c1C[*:1] Cn1ncc(C(=O)NCC[*:1])c1-n1cccc1
Cc1noc(C)c1CCCNC(=O)c1cnn(C)c1-n1cccc1 c1ccn(c1)[*:1] Cc1noc(C)c1CCCNC(=O)c1cnn(C)c1[*:1]
Cc1noc(C)c1CCCNC(=O)c1cnn(C)c1-n1cccc1 Cc1noc(C)c1[*:1] Cn1ncc(C(=O)NCCC[*:1])c1-n1cccc1
CC[C@H](C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1C CC[C@H](C)[*:1] C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)C[*:1]
CC[C@H](C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1C CC[C@H](C)C[*:1] C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)[*:1]
C[C@]1(C[NH2+]Cc2cncn2C2CC2)CCCO1 C1CC1[*:1] C[C@@]1(CCCO1)C[NH2+]Cc1cncn1[*:1]
CCc1c(C)sc(NC(=S)NC(=O)c2ccccc2)c1C(=O)OC c1ccc(cc1)[*:1] CCc1c(C)sc(NC(=S)NC(=O)[*:1])c1C(=O)OC
CCc1c(C)sc(NC(=S)NC(=O)c2ccccc2)c1C(=O)OC COC(=O)[*:1] CCc1c(C)sc(NC(=S)NC(=O)c2ccccc2)c1[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 CC(C)[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 c1ccc(cc1)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 CC(C)N(C)S(=O)(=O)[*:1] O=C(Nc1nc(cs1)-c1ccccc1)c1ccc(cc1)[*:1]
NC(=O)c1ccc(N[C@@H]2CCCN(c3ccccc3F)C2=O)nn1 Fc1ccccc1[*:1] NC(=O)c1ccc(nn1)N[C@@H]1CCCN(C1=O)[*:1]
NC(=O)c1ccc(N[C@@H]2CCCN(c3ccccc3F)C2=O)nn1 NC(=O)[*:1] O=C1[C@@H](CCCN1c1ccccc1F)Nc1ccc(nn1)[*:1]
CC[C@@H](C)[NH2+][C@H]1C=C[C@@H](C(=O)[O-])C1 CC[C@@H](C)[*:1] O=C([O-])[C@@H]1C=C[C@@H](C1)[NH2+][*:1]
CC[C@@H](C)[NH2+][C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H](C)[NH2+][C@H]1C=C[C@@H](C1)[*:1]
O=C(CCc1nc(CSc2nc3ccccc3o2)no1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1nc(CSc2nc3ccccc3o2)no1)N[*:1]
O=C(CCc1nc(CSc2nc3ccccc3o2)no1)Nc1ccccc1 c1ccc2oc(nc2c1)[*:1] O=C(CCc1nc(CS[*:1])no1)Nc1ccccc1
O=C(CCc1nc(CSc2nc3ccccc3o2)no1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] c1ccc2oc(nc2c1)SCc1noc(CC[*:1])n1
CC[NH2+][C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cnccn1 c1cnc(cn1)[*:1] CC[NH2+][C@H](C[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
COCCN(Cc1ccsc1)S(=O)(=O)c1ccc(F)cc1F COC[*:1] O=S(=O)(c1ccc(F)cc1F)N(Cc1ccsc1)C[*:1]
COCCN(Cc1ccsc1)S(=O)(=O)c1ccc(F)cc1F c1cc(cs1)C[*:1] COCCN(S(=O)(=O)c1ccc(F)cc1F)[*:1]
COCCN(Cc1ccsc1)S(=O)(=O)c1ccc(F)cc1F COCC[*:1] O=S(=O)(c1ccc(F)cc1F)N(Cc1ccsc1)[*:1]
COCCN(Cc1ccsc1)S(=O)(=O)c1ccc(F)cc1F c1cc(cs1)[*:1] COCCN(C[*:1])S(=O)(=O)c1ccc(F)cc1F
Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc(-n2cncn2)cc1)C1CC1 Cc1nn(C)c(C)c1[*:1] O=C(Nc1ccc(cc1)-n1cncn1)N(C[*:1])C1CC1
Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc(-n2cncn2)cc1)C1CC1 C1CC1[*:1] Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc(cc1)-n1cncn1)[*:1]
Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc(-n2cncn2)cc1)C1CC1 Cc1nn(C)c(C)c1C[*:1] O=C(Nc1ccc(cc1)-n1cncn1)N(C1CC1)[*:1]
Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc(-n2cncn2)cc1)C1CC1 c1ncn(n1)[*:1] Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc(cc1)[*:1])C1CC1
O=C(Oc1ccc(-n2ccnn2)cc1)C1CC=CC1 c1cn(nn1)[*:1] O=C(Oc1ccc(cc1)[*:1])C1CC=CC1
CCOc1ccc(C(=O)Nc2cc(C(=O)N3CCCCC3)cn(C)c2=O)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)Nc1cc(cn(C)c1=O)C(=O)N1CCCCC1
CCOc1ccc(C(=O)Nc2cc(C(=O)N3CCCCC3)cn(C)c2=O)cc1OCC O=C(N1CCCCC1)[*:1] CCOc1ccc(cc1OCC)C(=O)Nc1cc(cn(C)c1=O)[*:1]
CCOc1ccc(C(=O)Nc2cc(C(=O)N3CCCCC3)cn(C)c2=O)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)Nc1cc(cn(C)c1=O)C(=O)N1CCCCC1
CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(N)=O CC[C@@H](C)[*:1] NC(=O)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)[*:1]
CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)[*:1]
CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(N)=O c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])C(N)=O
Cc1cc(OC(F)F)c(C(=O)N(C)[C@H](C)Cc2cccs2)s1 FC(F)[*:1] Cc1cc(O[*:1])c(s1)C(=O)N(C)[C@H](C)Cc1cccs1
Cc1cc(OC(F)F)c(C(=O)N(C)[C@H](C)Cc2cccs2)s1 FC(F)O[*:1] Cc1cc(c(s1)C(=O)N(C)[C@H](C)Cc1cccs1)[*:1]
Cc1cc(OC(F)F)c(C(=O)N(C)[C@H](C)Cc2cccs2)s1 c1csc(c1)C[*:1] Cc1cc(OC(F)F)c(s1)C(=O)N(C)[C@H](C)[*:1]
Cc1cc(OC(F)F)c(C(=O)N(C)[C@H](C)Cc2cccs2)s1 c1csc(c1)[*:1] Cc1cc(OC(F)F)c(s1)C(=O)N(C)[C@H](C)C[*:1]
CCC[NH2+][C@@H](C(C)(C)C)[C@](C)(CC)[NH+](C)C CC(C)(C)[*:1] CCC[NH2+][C@@H]([C@](C)(CC)[NH+](C)C)[*:1]
CCC[NH2+][C@@H](C(C)(C)C)[C@](C)(CC)[NH+](C)C CCC[*:1] CC[C@@](C)([C@@H]([NH2+][*:1])C(C)(C)C)[NH+](C)C
Cc1ccc(-c2cc(C(=O)Nc3cccc([C@]4(C)NC(=O)NC4=O)c3)c3ccccc3n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@]1(NC(=O)NC1=O)c1cccc(c1)NC(=O)c1cc(nc2ccccc12)[*:1]
COC[C@H](C)[NH+]1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1 C[C@@H]1CCCC[C@@H]1[*:1] COC[C@H](C)[NH+]1CCN(CC1)CC(=O)N[*:1]
COC[C@H](C)[NH+]1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1 COC[*:1] C[C@H]([NH+]1CCN(CC1)CC(=O)N[C@H]1CCCC[C@H]1C)[*:1]
CC[C@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1ccccc1C CC[C@H](C)OC(=O)C[*:1] Cc1ccccc1CC(=O)N1CCNC(=O)[C@@H]1[*:1]
CC[C@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1ccccc1C CC[C@H](C)OC(=O)[*:1] Cc1ccccc1CC(=O)N1CCNC(=O)[C@@H]1C[*:1]
CC[C@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1ccccc1C Cc1ccccc1C[*:1] CC[C@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)[*:1]
CC[C@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1ccccc1C Cc1ccccc1[*:1] CC[C@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)C[*:1]
CC[C@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1ccccc1C CC[C@H](C)[*:1] Cc1ccccc1CC(=O)N1CCNC(=O)[C@@H]1CC(=O)O[*:1]
Cc1cc(F)c([C@@H](C)[NH2+][C@H](C)CCCO)cc1F OCCC[*:1] Cc1cc(F)c(cc1F)[C@@H](C)[NH2+][C@H](C)[*:1]
Cc1cc(F)c([C@@H](C)[NH2+][C@H](C)CCCO)cc1F OCC[*:1] Cc1cc(F)c(cc1F)[C@@H](C)[NH2+][C@H](C)C[*:1]
Cc1cc(F)c([C@@H](C)[NH2+][C@H](C)CCCO)cc1F C[C@H](CCCO)[*:1] Cc1cc(F)c(cc1F)[C@@H](C)[NH2+][*:1]
CC(C)(C)C[C@@H](CO)NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 CC(C)(C)[*:1] O=C(N[C@H](CO)C[*:1])[C@H]1CCCN(C1)C(=O)c1ccncc1
CC(C)(C)C[C@@H](CO)NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 c1cc(ccn1)[*:1] CC(C)(C)C[C@@H](CO)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)(C)C[C@@H](CO)NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 CC(C)(C)C[*:1] O=C(N[C@H](CO)[*:1])[C@H]1CCCN(C1)C(=O)c1ccncc1
Cc1ccc(C(=O)Nc2cc(C)cc3cccnc23)nc1 Cc1ccc(nc1)[*:1] Cc1cc(NC(=O)[*:1])c2ncccc2c1
C[C@@](N)(C(=O)Nc1cc(C(=O)[O-])ccc1F)C(F)(F)F O=C([O-])[*:1] C[C@@](N)(C(=O)Nc1cc(ccc1F)[*:1])C(F)(F)F
C[C@@](N)(C(=O)Nc1cc(C(=O)[O-])ccc1F)C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(C(=O)Nc1cc(ccc1F)C(=O)[O-])[*:1]
CNC(=O)Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 Clc1ccc(cc1)[*:1] CNC(=O)Cc1cn(C[*:1])c2ccccc12
CNC(=O)Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 CNC(=O)C[*:1] Clc1ccc(cc1)Cn1cc(c2ccccc21)[*:1]
CNC(=O)Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 CNC(=O)[*:1] Clc1ccc(cc1)Cn1cc(C[*:1])c2ccccc21
C[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])c1ccc(Cl)cc1Cl
C[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1cccs1 C[C@H](c1cccs1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(Cl)cc1Cl
N#Cc1ccsc1NC(=O)CCSc1nnnn1C1CC1 C1CC1[*:1] N#Cc1ccsc1NC(=O)CCSc1nnnn1[*:1]
N#Cc1ccsc1NC(=O)CCSc1nnnn1C1CC1 N#Cc1ccsc1[*:1] O=C(CCSc1nnnn1C1CC1)N[*:1]
Cc1c(CCC(=O)NCc2ccnc(OC3CCC3)c2)cnn1C C1CC(C1)O[*:1] Cc1c(cnn1C)CCC(=O)NCc1ccnc(c1)[*:1]
Cc1c(CCC(=O)NCc2ccnc(OC3CCC3)c2)cnn1C Cc1c(cnn1C)[*:1] O=C(CC[*:1])NCc1ccnc(c1)OC1CCC1
Cc1c(CCC(=O)NCc2ccnc(OC3CCC3)c2)cnn1C Cc1c(cnn1C)C[*:1] O=C(C[*:1])NCc1ccnc(c1)OC1CCC1
Cc1c(CCC(=O)NCc2ccnc(OC3CCC3)c2)cnn1C C1CC(C1)[*:1] Cc1c(cnn1C)CCC(=O)NCc1ccnc(c1)O[*:1]
CCN(CC)c1ncc(-c2nc3ccccc3o2)cn1 CCN(CC)[*:1] c1ccc2oc(nc2c1)-c1cnc(nc1)[*:1]
COC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] COC(=O)N1CCC[C@@H](C1)C(=O)N[C@H](C)c1cccc(c1)[*:1]
COc1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] COc1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1]
COc1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 COc1ccccc1[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1
Cc1ccsc1C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccsc1C(=O)NC[C@H]([C@@H]1CCOC1)[*:1]
Cc1ccsc1C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 Cc1ccsc1[*:1] O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)[*:1]
Cc1ccsc1C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 C1C[C@H](CO1)[*:1] Cc1ccsc1C(=O)NC[C@H](N1CCOCC1)[*:1]
O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc(cc1)[*:1] O=C(CCO[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc(cc1)OCC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)[*:1]
O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc2cc(ccc2c1)[*:1] O=C(CCOc1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc(cc1)OC[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc(cc1)O[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)NC[*:1])c1ccccn1
O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccccn1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1ccccn1
O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(NCc1ccccc1)c1ccccc1NC(=O)[*:1]
C[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)N1CCC[C@@H]1c1ccc2OCCOc2c1
C[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 c1ccc(cc1)S[*:1] C[C@@H](C(=O)N1CCC[C@@H]1c1ccc2OCCOc2c1)[*:1]
Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)c3cc(C)oc3C)nc2c1 c1cncc(c1)[*:1] Cc1cc(C)c2sc(nc2c1)N(C[*:1])C(=O)c1cc(C)oc1C
Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)c3cc(C)oc3C)nc2c1 Cc1cc(c(C)o1)[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1cccnc1)C(=O)[*:1]
Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)c3cc(C)oc3C)nc2c1 c1cncc(c1)C[*:1] Cc1cc(C)c2sc(nc2c1)N(C(=O)c1cc(C)oc1C)[*:1]
CN(C(=O)c1ccc(S(N)(=O)=O)c(F)c1)[C@H]1CCc2ccccc2C1 NS(=O)(=O)[*:1] CN(C(=O)c1ccc(c(F)c1)[*:1])[C@H]1CCc2ccccc2C1
C#CCOC(=O)c1sc(-c2ccc(F)cc2)nc1C C#CC[*:1] Cc1nc(sc1C(=O)O[*:1])-c1ccc(F)cc1
C#CCOC(=O)c1sc(-c2ccc(F)cc2)nc1C C#CCOC(=O)[*:1] Cc1nc(sc1[*:1])-c1ccc(F)cc1
O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(CNC(c1ccccc1)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CNC(c1ccccc1)c1ccccc1)N[*:1]
O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(cc1)[*:1]
CCOC(=O)c1c(NC(C)=O)sc2c1CCN(C(=O)OC)C2 CC(=O)N[*:1] CCOC(=O)c1c(sc2CN(CCc21)C(=O)OC)[*:1]
CCOC(=O)c1c(NC(C)=O)sc2c1CCN(C(=O)OC)C2 CCOC(=O)[*:1] COC(=O)N1CCc2c(C1)sc(NC(C)=O)c2[*:1]
CC(C)(CSc1ccc(Br)cn1)C(=O)NN NNC(=O)[*:1] CC(C)(CSc1ccc(Br)cn1)[*:1]
COc1cccc([C@@H](CO)NC(=O)Cc2c(C)nn(C(F)F)c2C)c1 FC(F)[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)Cc1c(C)nn(c1C)[*:1]
COc1cccc([C@@H](CO)NC(=O)Cc2c(C)nn(C(F)F)c2C)c1 COc1cccc(c1)[*:1] Cc1nn(c(C)c1CC(=O)N[C@H](CO)[*:1])C(F)F
COc1ccccc1-n1c(=O)[nH]c([O-])c(C(=O)/C=C/c2ccncc2)c1=O COc1ccccc1[*:1] O=C(/C=C/c1ccncc1)c1c([O-])[nH]c(=O)n(c1=O)[*:1]
COc1ccccc1-n1c(=O)[nH]c([O-])c(C(=O)/C=C/c2ccncc2)c1=O c1cc(ccn1)[*:1] COc1ccccc1-n1c(=O)[nH]c([O-])c(C(=O)C=C[*:1])c1=O
COc1ccccc1-n1c(=O)[nH]c([O-])c(C(=O)/C=C/c2ccncc2)c1=O C(=C[*:1])c1ccncc1 COc1ccccc1-n1c(=O)[nH]c([O-])c(C(=O)[*:1])c1=O
CCOc1ccc(C2=CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 CCO[*:1] O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC=C(CC1)c1ccc(cc1)[*:1]
CCc1ccc([C@@H](CO)NC(=O)Cc2cc(C)on2)cc1 Cc1cc(no1)[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)C[*:1]
CCc1ccc([C@@H](CO)NC(=O)Cc2cc(C)on2)cc1 Cc1cc(C[*:1])no1 CCc1ccc(cc1)[C@@H](CO)NC(=O)[*:1]
CCOc1cc(CNc2cccc(N(C)C(C)=O)c2)cc(Cl)c1OC CC(=O)N(C)[*:1] CCOc1cc(cc(Cl)c1OC)CNc1cccc(c1)[*:1]
CCOc1cc(CNc2cccc(N(C)C(C)=O)c2)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(cc1[*:1])CNc1cccc(c1)N(C)C(C)=O
O=C(CCCc1ccccc1)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 c1ccc(cc1)[*:1] O=C(CCCc1ccccc1)Nc1nnc(o1)[C@H]1CC(=O)N(C1)[*:1]
O=C(CCCc1ccccc1)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 c1ccc(cc1)CC[*:1] O=C(C[*:1])Nc1nnc(o1)[C@H]1CC(=O)N(C1)c1ccccc1
O=C(CCCc1ccccc1)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 c1ccc(cc1)C[*:1] O=C(CC[*:1])Nc1nnc(o1)[C@H]1CC(=O)N(C1)c1ccccc1
O=C(CCCc1ccccc1)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 c1ccc(cc1)CCC[*:1] O=C1C[C@@H](CN1c1ccccc1)c1nnc(NC(=O)[*:1])o1
O=C(CCCc1ccccc1)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 c1ccc(cc1)[*:1] O=C(CCC[*:1])Nc1nnc(o1)[C@H]1CC(=O)N(C1)c1ccccc1
C[C@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)[*:1] O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@H]1C[*:1]
Cc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCC[C@@H](C1)C(=O)[O-]
Cc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(C(C)C)[nH+]1 O=C([O-])[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCC[C@H](C1)[*:1]
Fc1ccc(-c2nnn(Cc3coc(-c4ccccc4)n3)n2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)-c1nnn(Cc2coc(n2)[*:1])n1
Fc1ccc(-c2nnn(Cc3coc(-c4ccccc4)n3)n2)cc1 Fc1ccc(cc1)[*:1] c1ccc(cc1)-c1nc(co1)Cn1nnc(n1)[*:1]
C[C@](NC(=O)N[C@@H]1CCC(=O)NC1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@](NC(=O)N[C@@H]1CCC(=O)NC1)(C(F)(F)F)[*:1]
C[C@](NC(=O)N[C@@H]1CCC(=O)NC1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](NC(=O)N[C@@H]1CCC(=O)NC1)(C(=O)[O-])[*:1]
C[C@@H]1CN(C)c2ccccc2CN1C(=O)Cn1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H]1CN(C)c2ccccc2CN1C(=O)Cn1nnc(n1)[*:1]
OCCC[NH+](Cc1ccccc1)Cc1ccsc1 c1cc(cs1)C[*:1] OCCC[NH+](Cc1ccccc1)[*:1]
OCCC[NH+](Cc1ccccc1)Cc1ccsc1 c1cc(cs1)[*:1] OCCC[NH+](Cc1ccccc1)C[*:1]
OCCC[NH+](Cc1ccccc1)Cc1ccsc1 c1ccc(cc1)[*:1] OCCC[NH+](Cc1ccsc1)C[*:1]
OCCC[NH+](Cc1ccccc1)Cc1ccsc1 OCC[*:1] c1ccc(cc1)C[NH+](Cc1ccsc1)C[*:1]
OCCC[NH+](Cc1ccccc1)Cc1ccsc1 OCCC[*:1] c1ccc(cc1)C[NH+](Cc1ccsc1)[*:1]
CCC(CC)NC(=O)[C@H](C)[NH2+]C[C@]1(C)CCCO1 CCC(CC)[*:1] C[C@H]([NH2+]C[C@]1(C)CCCO1)C(=O)N[*:1]
CCC(CC)NC(=O)[C@H](C)[NH2+]C[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] CCC(CC)NC(=O)[C@H](C)[NH2+]C[*:1]
C/[NH+]=C(\N[C@@H]1CCN(c2ccccc2)C1)N[C@@H]1C[C@H]1C c1ccc(cc1)[*:1] C/[NH+]=C(\N[C@@H]1CCN(C1)[*:1])N[C@@H]1C[C@H]1C
CCCOC(=O)c1c(N)cccc1Cn1cnnc1 CCCOC(=O)[*:1] Nc1cccc(Cn2cnnc2)c1[*:1]
CCCOC(=O)c1c(N)cccc1Cn1cnnc1 c1nncn1[*:1] CCCOC(=O)c1c(N)cccc1C[*:1]
CCCOC(=O)c1c(N)cccc1Cn1cnnc1 c1nncn1C[*:1] CCCOC(=O)c1c(N)cccc1[*:1]
CCCOC(=O)c1c(N)cccc1Cn1cnnc1 CCC[*:1] Nc1cccc(Cn2cnnc2)c1C(=O)O[*:1]
O=C([C@H]1C[C@H]1c1ccccc1F)N(Cc1cccnc1)c1ccc(F)cc1 c1cncc(c1)C[*:1] O=C([C@H]1C[C@H]1c1ccccc1F)N(c1ccc(F)cc1)[*:1]
O=C([C@H]1C[C@H]1c1ccccc1F)N(Cc1cccnc1)c1ccc(F)cc1 Fc1ccccc1[*:1] O=C([C@H]1C[C@@H]1[*:1])N(Cc1cccnc1)c1ccc(F)cc1
O=C([C@H]1C[C@H]1c1ccccc1F)N(Cc1cccnc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C([C@H]1C[C@H]1c1ccccc1F)N(Cc1cccnc1)[*:1]
O=C([C@H]1C[C@H]1c1ccccc1F)N(Cc1cccnc1)c1ccc(F)cc1 c1cncc(c1)[*:1] O=C([C@H]1C[C@H]1c1ccccc1F)N(C[*:1])c1ccc(F)cc1
O=C(C[C@@H](O)c1ccccc1)NC[C@@H](O)c1c(Cl)cccc1Cl c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])NC[C@@H](O)c1c(Cl)cccc1Cl
CCOC(=O)c1nnc2ccccc2c1N1CC[NH+](C(C)C)CC1 CCOC(=O)[*:1] CC(C)[NH+]1CCN(CC1)c1c(nnc2ccccc12)[*:1]
CCOC(=O)c1nnc2ccccc2c1N1CC[NH+](C(C)C)CC1 CC(C)[*:1] CCOC(=O)c1nnc2ccccc2c1N1CC[NH+](CC1)[*:1]
COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3F)c(=O)c3sccc32)cc1OC Fc1ccccc1C[*:1] COc1ccc(cc1OC)NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3F)c(=O)c3sccc32)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3F)c(=O)c3sccc32)cc1OC COc1ccc(cc1OC)[*:1] O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)N[*:1]
N#Cc1nc(COc2cccc(Cl)c2)oc1N1CCCCCC1 C1CCCN(CC1)[*:1] N#Cc1nc(COc2cccc(Cl)c2)oc1[*:1]
N#Cc1nc(COc2cccc(Cl)c2)oc1N1CCCCCC1 Clc1cccc(c1)[*:1] N#Cc1nc(CO[*:1])oc1N1CCCCCC1
C[C@H](C[NH+]1CCCCC1)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 c1ccc(cc1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)C1=NN(C(=O)[C@@H](C)N1)[*:1]
C[C@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1cccc(C#N)c1 C1CC1[*:1] C[C@H]([NH2+][C@H](C)c1ccc(cc1)NC(=O)N[*:1])C(=O)Nc1cccc(C#N)c1
C[C@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H]([NH2+][C@H](C)c1ccc(cc1)NC(=O)NC1CC1)C(=O)N[*:1]
C[C@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1cccc(C#N)c1 O=C(NC1CC1)N[*:1] C[C@H]([NH2+][C@H](C)c1ccc(cc1)[*:1])C(=O)Nc1cccc(C#N)c1
NC(=O)CCN1CCC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)CCN1CCC[NH+](CC1)C[*:1]
NC(=O)CCN1CCC[NH+](Cc2ccccc2)CC1 NC(=O)CC[*:1] c1ccc(cc1)C[NH+]1CCCN(CC1)[*:1]
NC(=O)CCN1CCC[NH+](Cc2ccccc2)CC1 NC(=O)C[*:1] c1ccc(cc1)C[NH+]1CCCN(CC1)C[*:1]
NC(=O)CCN1CCC[NH+](Cc2ccccc2)CC1 NC(=O)[*:1] c1ccc(cc1)C[NH+]1CCCN(CC1)CC[*:1]
CC[C@@H]1CC(=O)N(Cc2ccc(/C=C/C(=O)[O-])cc2F)C1 O=C([O-])C=C[*:1] CC[C@@H]1CC(=O)N(Cc2ccc(cc2F)[*:1])C1
CC[C@@H]1CC(=O)N(Cc2ccc(/C=C/C(=O)[O-])cc2F)C1 O=C([O-])[*:1] CC[C@@H]1CC(=O)N(Cc2ccc(C=C[*:1])cc2F)C1
CNC(=O)N[C@@H](C)C(=O)N1CCc2ccccc21 CNC(=O)N[*:1] C[C@@H](C(=O)N1CCc2ccccc21)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)c1cc(ccc1C)[*:1]
Cc1nc2cc(C(=O)[O-])ccc2n1CCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1nc2cc(ccc2n1CCC[*:1])C(=O)[O-]
Cc1nc2cc(C(=O)[O-])ccc2n1CCCN1CCOCC1 O=C([O-])[*:1] Cc1nc2cc(ccc2n1CCCN1CCOCC1)[*:1]
Cc1nc2cc(C(=O)[O-])ccc2n1CCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1nc2cc(ccc2n1CC[*:1])C(=O)[O-]
Cc1[nH+]ccn1CCNC(=O)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] Cc1[nH+]ccn1CCNC(=O)c1cc(on1)[*:1]
COC(=O)c1ccc(OC(=O)c2cncc(Br)c2)cc1 COC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1cncc(Br)c1
Cc1cccc(NC(=O)Nc2cnn(CC(=O)N(C)C)c2)c1Cl CN(C)C(=O)C[*:1] Cc1cccc(NC(=O)Nc2cnn(c2)[*:1])c1Cl
Cc1cccc(NC(=O)Nc2cnn(CC(=O)N(C)C)c2)c1Cl CN(C)C(=O)[*:1] Cc1cccc(NC(=O)Nc2cnn(c2)C[*:1])c1Cl
O=C(/C=C/c1cnccn1)NCC1(c2ccc(Cl)cc2)CCOCC1 Clc1ccc(cc1)[*:1] O=C(/C=C/c1cnccn1)NCC1(CCOCC1)[*:1]
O=C(/C=C/c1cnccn1)NCC1(c2ccc(Cl)cc2)CCOCC1 c1cnc(cn1)[*:1] O=C(C=C[*:1])NCC1(CCOCC1)c1ccc(Cl)cc1
O=C(/C=C/c1cnccn1)NCC1(c2ccc(Cl)cc2)CCOCC1 C(=C[*:1])c1cnccn1 O=C(NCC1(CCOCC1)c1ccc(Cl)cc1)[*:1]
CC(C)CCNC(=O)CC1CCN(C(=O)[C@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1 CC(C)[*:1] O=C(CC1CCN(CC1)C(=O)[C@H]1C=c2cc(Cl)ccc2=[NH+]1)NCC[*:1]
CC(C)CCNC(=O)CC1CCN(C(=O)[C@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1 CC(C)CCNC(=O)[*:1] O=C([C@H]1C=c2cc(Cl)ccc2=[NH+]1)N1CCC(CC1)C[*:1]
CC(C)CCNC(=O)CC1CCN(C(=O)[C@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1 CC(C)CC[*:1] O=C(CC1CCN(CC1)C(=O)[C@H]1C=c2cc(Cl)ccc2=[NH+]1)N[*:1]
CC(C)CCNC(=O)CC1CCN(C(=O)[C@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1 CC(C)CCNC(=O)C[*:1] O=C([C@H]1C=c2cc(Cl)ccc2=[NH+]1)N1CCC(CC1)[*:1]
CC(C)CCNC(=O)CC1CCN(C(=O)[C@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1 CC(C)C[*:1] O=C(CC1CCN(CC1)C(=O)[C@H]1C=c2cc(Cl)ccc2=[NH+]1)NC[*:1]
C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F c1cc2CCCc2cc1[*:1] C[C@@H](N[*:1])C(=O)Nc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F O=[N+]([O-])[*:1] C[C@@H](Nc1ccc2CCCc2c1)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](Nc1ccc2CCCc2c1)C(=O)Nc1ccc(cc1[*:1])[N+](=O)[O-]
O=C(Nc1ccc(F)cc1OCC(F)F)c1n[nH]cc1[N+](=O)[O-] FC(F)[*:1] O=C(Nc1ccc(F)cc1OC[*:1])c1n[nH]cc1[N+](=O)[O-]
O=C(Nc1ccc(F)cc1OCC(F)F)c1n[nH]cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)c1n[nH]cc1[*:1]
O=C(Nc1ccc(F)cc1OCC(F)F)c1n[nH]cc1[N+](=O)[O-] FC(F)CO[*:1] O=C(Nc1ccc(F)cc1[*:1])c1n[nH]cc1[N+](=O)[O-]
O=C(Nc1ccc(F)cc1OCC(F)F)c1n[nH]cc1[N+](=O)[O-] FC(F)C[*:1] O=C(Nc1ccc(F)cc1O[*:1])c1n[nH]cc1[N+](=O)[O-]
CCn1cc(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)ccc1=O c1ccc(cc1)C[*:1] CCn1cc(ccc1=O)NC(=O)C(=O)N[C@H](C)C[*:1]
CCn1cc(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)ccc1=O c1ccc(cc1)CC[*:1] CCn1cc(ccc1=O)NC(=O)C(=O)N[C@H](C)[*:1]
CCn1cc(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)ccc1=O c1ccc(cc1)[*:1] CCn1cc(ccc1=O)NC(=O)C(=O)N[C@H](C)CC[*:1]
N#Cc1ccc(-c2noc(/C=C/c3ccccc3OC(F)(F)F)n2)nc1 FC(F)(F)O[*:1] N#Cc1ccc(nc1)-c1noc(/C=C/c2ccccc2[*:1])n1
N#Cc1ccc(-c2noc(/C=C/c3ccccc3OC(F)(F)F)n2)nc1 FC(F)(F)[*:1] N#Cc1ccc(nc1)-c1noc(/C=C/c2ccccc2O[*:1])n1
N#Cc1ccc(-c2noc(/C=C/c3ccccc3OC(F)(F)F)n2)nc1 N#Cc1ccc(nc1)[*:1] FC(F)(F)Oc1ccccc1/C=C/c1nc(no1)[*:1]
CNC(=O)c1cccc(OC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)c1 CNC(=O)[*:1] Cc1ccc(Cl)c(c1)O[C@H](C)C(=O)Oc1cccc(c1)[*:1]
CNC(=O)c1cccc(OC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)c1 Cc1ccc(Cl)c(c1)[*:1] CNC(=O)c1cccc(c1)OC(=O)[C@@H](C)O[*:1]
O=C1NC[C@@H](c2ccc(F)cc2)Cc2[nH]c(Cc3ccccc3)nc21 Fc1ccc(cc1)[*:1] O=C1NC[C@@H](Cc2[nH]c(Cc3ccccc3)nc21)[*:1]
O=C1NC[C@@H](c2ccc(F)cc2)Cc2[nH]c(Cc3ccccc3)nc21 c1ccc(cc1)[*:1] O=C1NC[C@H](Cc2[nH]c(C[*:1])nc21)c1ccc(F)cc1
O=C1NC[C@@H](c2ccc(F)cc2)Cc2[nH]c(Cc3ccccc3)nc21 c1ccc(cc1)C[*:1] O=C1NC[C@H](Cc2[nH]c(nc21)[*:1])c1ccc(F)cc1
CC(=O)c1c(F)cccc1N[C@@H]1CCN(C(=O)c2ccccn2)C1 CC(=O)[*:1] O=C(c1ccccn1)N1CC[C@H](C1)Nc1cccc(F)c1[*:1]
CC(=O)c1c(F)cccc1N[C@@H]1CCN(C(=O)c2ccccn2)C1 c1ccc(nc1)[*:1] CC(=O)c1c(F)cccc1N[C@@H]1CCN(C1)C(=O)[*:1]
CC1=c2cc(F)ccc2=[NH+][C@H]1CN1CCN(c2cc(N)nc(N)n2)CC1 Nc1cc(nc(N)n1)[*:1] CC1=c2cc(F)ccc2=[NH+][C@H]1CN1CCN(CC1)[*:1]
Cc1cncc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 Cc1cncc(c1)[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCOCC1
Cc1cncc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 O=C(N1CCOCC1)[*:1] Cc1cncc(c1)C(=O)Nc1ccccc1[*:1]
CC[C@@H](C)N(C)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 O=C1CCCN1[*:1] CC[C@@H](C)N(C)C(=O)Nc1ccc(c(c1)OC)[*:1]
O=C(CCc1ccc(-c2ccccc2)o1)N1CCOc2ccccc2C1 c1ccc(cc1)[*:1] O=C(CCc1ccc(o1)[*:1])N1CCOc2ccccc2C1
Nc1nnc(CCNc2nccc(C3CCCC3)n2)s1 Nc1nnc(s1)[*:1] c1cc(nc(n1)NCC[*:1])C1CCCC1
Nc1nnc(CCNc2nccc(C3CCCC3)n2)s1 C1CCC(C1)[*:1] Nc1nnc(CCNc2nccc(n2)[*:1])s1
COc1ccc(C)cc1C[S@@](=O)CC(=O)NCC(C)C CC(C)C[*:1] COc1ccc(C)cc1C[S@@](=O)CC(=O)N[*:1]
COc1ccc(C)cc1C[S@@](=O)CC(=O)NCC(C)C CC(C)[*:1] COc1ccc(C)cc1C[S@@](=O)CC(=O)NC[*:1]
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 CCCCC[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)O[*:1])c1ccccn1
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 CCCC[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)OC[*:1])c1ccccn1
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 c1ccc(nc1)[*:1] CCCCCOC(=O)C1=C(C)NC2CC(C)(C)CC(=O)C=2[C@H]1[*:1]
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 CCCCCOC(=O)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1[*:1])c1ccccn1
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 CCC[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)OCC[*:1])c1ccccn1
CSc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 CC(=O)N[*:1] CSc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H]1c2cccn2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc2cc(ccc2c1)[*:1] C[C@@H]1c2cccn2CCN1CC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)[C@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)C(=O)N1CCOCC1 Fc1cccc(c1)C[*:1] CC(C)[C@H](NC(=O)[C@@H](C)C[*:1])C(=O)N1CCOCC1
CC(C)[C@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)[*:1]
CC(C)[C@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)C(=O)N1CCOCC1 Fc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)[C@@H](C)CC[*:1])C(=O)N1CCOCC1
CC(C)[C@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)C(=O)N1CCOCC1 CC(C)[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N[C@H](C(=O)N1CCOCC1)[*:1]
Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(-c2ccncc2)n1 c1cc(ccn1)[*:1] Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(n1)[*:1]
Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(-c2ccncc2)n1 Fc1ccccc1[*:1] Cn1cc(/C=C(/C#N)C(=O)N[*:1])c(n1)-c1ccncc1
O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1ccccc1 Clc1ccc(Cl)c(c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1ccccc1
O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl)N[*:1]
O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(CC1)C[*:1]
CC(=O)N1CCc2cc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)ccc21 Clc1ccc(cc1Cl)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)C=C[*:1]
CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2F)c1 Cc1ccc(c(F)c1)[*:1] CON(C)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2F)c1 CON(C)S(=O)(=O)[*:1] Cc1ccc(NC(=O)c2cccc(c2)[*:1])c(F)c1
O=C(c1cncs1)N1CCc2c(c(C(=O)N3CCOCC3)nn2CCc2ccccc2)C1 c1ncc(s1)[*:1] O=C(c1nn(CCc2ccccc2)c2CCN(Cc12)C(=O)[*:1])N1CCOCC1
O=C(c1cncs1)N1CCc2c(c(C(=O)N3CCOCC3)nn2CCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cncs1)N1CCc2c(C1)c(nn2CC[*:1])C(=O)N1CCOCC1
O=C(c1cncs1)N1CCc2c(c(C(=O)N3CCOCC3)nn2CCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1cncs1)N1CCc2c(C1)c(nn2C[*:1])C(=O)N1CCOCC1
O=C(c1cncs1)N1CCc2c(c(C(=O)N3CCOCC3)nn2CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(c1cncs1)N1CCc2c(C1)c(nn2[*:1])C(=O)N1CCOCC1
O=C(c1cncs1)N1CCc2c(c(C(=O)N3CCOCC3)nn2CCc2ccccc2)C1 O=C(N1CCOCC1)[*:1] O=C(c1cncs1)N1CCc2c(C1)c(nn2CCc1ccccc1)[*:1]
C[C@H](NC(=O)[C@H](Cc1ccccc1)n1cnnn1)c1ccc(Cl)s1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)[C@H](n1cnnn1)[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)[C@H](Cc1ccccc1)n1cnnn1)c1ccc(Cl)s1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H](C[*:1])n1cnnn1)c1ccc(Cl)s1
C[C@H](NC(=O)[C@H](Cc1ccccc1)n1cnnn1)c1ccc(Cl)s1 C[C@H](c1ccc(Cl)s1)[*:1] O=C(N[*:1])[C@H](Cc1ccccc1)n1cnnn1
C[C@H](NC(=O)[C@H](Cc1ccccc1)n1cnnn1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)[C@H](Cc1ccccc1)n1cnnn1)[*:1]
C[C@H](NC(=O)[C@H](Cc1ccccc1)n1cnnn1)c1ccc(Cl)s1 c1nnnn1[*:1] C[C@H](NC(=O)[C@H](Cc1ccccc1)[*:1])c1ccc(Cl)s1
COc1ccc2nc(NC[C@H](C(C)C)N3CC[NH+](C)CC3)c(C)cc2c1 CC(C)[*:1] COc1ccc2nc(NC[C@H](N3CC[NH+](C)CC3)[*:1])c(C)cc2c1
C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C[C@@H]1O C1CCN(C1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1ccc(c(F)c1)[*:1]
O=C(Cc1cc(F)ccc1F)N1CCC[C@H](C(=O)N2CCOCC2)C1 Fc1ccc(F)c(c1)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)C(=O)N1CCOCC1
O=C(Cc1cc(F)ccc1F)N1CCC[C@H](C(=O)N2CCOCC2)C1 O=C(N1CCOCC1)[*:1] O=C(Cc1cc(F)ccc1F)N1CCC[C@H](C1)[*:1]
COc1ccccc1[C@@H]1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21 Clc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1CC(=O)Nc2n[nH]c(c21)[*:1]
COc1ccccc1[C@@H]1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21 COc1ccccc1[*:1] O=C1C[C@H](c2c(n[nH]c2-c2ccc(Cl)cc2)N1)[*:1]
C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)CNC(=O)[*:1])c1cccc(Cl)c1
C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)[*:1]
CCc1nc([C@@H](C)NC(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)cs1 Cc1ccccc1[*:1] CCc1nc(cs1)[C@@H](C)NC(=O)N1C[C@H](OC[C@@H]1C)[*:1]
CCc1nc([C@@H](C)NC(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)cs1 CCc1nc(cs1)[*:1] Cc1ccccc1[C@H]1CN(C(=O)N[C@H](C)[*:1])[C@@H](C)CO1
CN(CCc1ccccn1)C(=O)c1cncn1-c1ccccc1 c1ccc(cc1)[*:1] CN(CCc1ccccn1)C(=O)c1cncn1[*:1]
CN(CCc1ccccn1)C(=O)c1cncn1-c1ccccc1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)c1cncn1-c1ccccc1
CN(CCc1ccccn1)C(=O)c1cncn1-c1ccccc1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)c1cncn1-c1ccccc1
CC(=O)NCCNC(=O)NCc1ccccc1Oc1ccccc1 CC(=O)NC[*:1] O=C(NCc1ccccc1Oc1ccccc1)NC[*:1]
CC(=O)NCCNC(=O)NCc1ccccc1Oc1ccccc1 CC(=O)N[*:1] O=C(NCC[*:1])NCc1ccccc1Oc1ccccc1
CC(=O)NCCNC(=O)NCc1ccccc1Oc1ccccc1 CC(=O)NCC[*:1] O=C(NCc1ccccc1Oc1ccccc1)N[*:1]
CC(=O)NCCNC(=O)NCc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] CC(=O)NCCNC(=O)NCc1ccccc1O[*:1]
CC(=O)NCCNC(=O)NCc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] CC(=O)NCCNC(=O)NCc1ccccc1[*:1]
Cn1nc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c(=O)n(C)c1=O c1coc(c1)[*:1] Cn1nc(NC[C@H]([NH+]2CCCCC2)[*:1])c(=O)n(C)c1=O
C[NH2+][C@H](Cc1ccn(C2CCCCC2)n1)[C@@H](C)OC CO[C@H](C)[*:1] C[NH2+][C@H](Cc1ccn(n1)C1CCCCC1)[*:1]
C[NH2+][C@H](Cc1ccn(C2CCCCC2)n1)[C@@H](C)OC C1CCC(CC1)[*:1] C[NH2+][C@H](Cc1ccn(n1)[*:1])[C@@H](C)OC
COC(=O)C1CCN(c2ncnc(N)c2N)CC1 COC(=O)[*:1] Nc1ncnc(c1N)N1CCC(CC1)[*:1]
Cc1ccc(-n2ncc3c(=O)n(Cc4ccc(Cl)c(Cl)c4)cnc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=c1c2cnn(c2ncn1Cc1ccc(Cl)c(Cl)c1)[*:1]
Cc1ccc(-n2ncc3c(=O)n(Cc4ccc(Cl)c(Cl)c4)cnc32)c(C)c1 Clc1ccc(cc1Cl)C[*:1] Cc1ccc(c(C)c1)-n1ncc2c(=O)n(cnc21)[*:1]
Cc1ccc(-n2ncc3c(=O)n(Cc4ccc(Cl)c(Cl)c4)cnc32)c(C)c1 Clc1ccc(cc1Cl)[*:1] Cc1ccc(c(C)c1)-n1ncc2c(=O)n(cnc21)C[*:1]
Cc1nc2ncnn2c(N2CCC[C@H](C)C2)c1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2ncnn2c(c1C[*:1])N1CCC[C@H](C)C1
Cc1nc2ncnn2c(N2CCC[C@H](C)C2)c1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc2ncnn2c(c1[*:1])N1CCC[C@H](C)C1
CC(C)NC(=O)Nc1ccccc1NC(=O)c1cc2ccccc2oc1=O CC(C)NC(=O)N[*:1] O=C(Nc1ccccc1[*:1])c1cc2ccccc2oc1=O
CC(C)NC(=O)Nc1ccccc1NC(=O)c1cc2ccccc2oc1=O CC(C)[*:1] O=C(Nc1ccccc1NC(=O)c1cc2ccccc2oc1=O)N[*:1]
CC(=O)C1=C(C)[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)N=C1C CC(=O)[*:1] CC1=N[C@H](C(=O)N2CCN(CC2)c2ccc(Cl)cc2)C(C)=C1[*:1]
CC(=O)C1=C(C)[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)N=C1C Clc1ccc(cc1)[*:1] CC(=O)C1C(C)=N[C@H](C(=O)N2CCN(CC2)[*:1])C=1C
C[NH2+]Cc1ccc(OCc2c[nH+]cn2C)c([N+](=O)[O-])c1 C[NH2+]C[*:1] Cn1c[nH+]cc1COc1ccc(cc1[N+](=O)[O-])[*:1]
C[NH2+]Cc1ccc(OCc2c[nH+]cn2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[NH2+]Cc1ccc(OCc2c[nH+]cn2C)c(c1)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 N#CC[*:1] C[C@@H](N(C)C(=O)c1csc(n1)-c1ccc2OCOc2c1)[*:1]
C[C@H](NC(=O)CCC(=O)NC1CCCC1)C(N)=O NC(=O)[*:1] C[C@H](NC(=O)CCC(=O)NC1CCCC1)[*:1]
C[C@H](NC(=O)CCC(=O)NC1CCCC1)C(N)=O C1CCC(C1)[*:1] C[C@H](NC(=O)CCC(=O)N[*:1])C(N)=O
C[C@H](NC(=O)CCC(=O)NC1CCCC1)C(N)=O C[C@H](C(N)=O)[*:1] O=C(CCC(=O)N[*:1])NC1CCCC1
Cc1cccn2cc(COc3cccc(C(=O)Nc4cc(F)cc(F)c4)c3)nc12 Fc1cc(F)cc(c1)[*:1] Cc1cccn2cc(COc3cccc(c3)C(=O)N[*:1])nc12
O=C(NCC1(O)CCOCC1)C1=Cc2cc(F)ccc2OC1 OC1(CCOCC1)[*:1] O=C(NC[*:1])C1=Cc2cc(F)ccc2OC1
CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3cccnc3)ccc21 CC(C)[*:1] CN(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc2c(c1)nnn2[*:1]
CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3cccnc3)ccc21 c1cncc(c1)C[*:1] CC(C)n1nnc2cc(ccc21)S(=O)(=O)N(C)CC(=O)N[*:1]
CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3cccnc3)ccc21 c1cncc(c1)[*:1] CC(C)n1nnc2cc(ccc21)S(=O)(=O)N(C)CC(=O)NC[*:1]
CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccncc2F)ccc1OC Fc1cnccc1[*:1] CC[C@@H](C#N)Oc1cc(ccc1OC)CNC(=O)[*:1]
O=C([C@@H](Sc1nncn1-c1ccccc1)c1ccccc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1ccc(cc1)[C@H](Sc1nncn1-c1ccccc1)[*:1]
O=C([C@@H](Sc1nncn1-c1ccccc1)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@@H](Sc1nncn1-c1ccccc1)[*:1])N1CCOCC1
O=C([C@@H](Sc1nncn1-c1ccccc1)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@@H](Sc1nncn1[*:1])c1ccccc1)N1CCOCC1
CCOc1cccc([C@@H](O)C(C)(C)c2ccc(F)cc2)c1 CCO[*:1] CC(C)(c1ccc(F)cc1)[C@H](O)c1cccc(c1)[*:1]
CCOc1cccc([C@@H](O)C(C)(C)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CCOc1cccc(c1)[C@@H](O)C(C)(C)[*:1]
NNc1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] NNc1ccc(F)c(c1)[*:1]
CCCc1nnc(C(=O)N2CCN[C@H](c3ccccc3)C2)o1 c1ccc(cc1)[*:1] CCCc1nnc(o1)C(=O)N1CCN[C@H](C1)[*:1]
CCCc1nnc(C(=O)N2CCN[C@H](c3ccccc3)C2)o1 CCC[*:1] O=C(c1nnc(o1)[*:1])N1CCN[C@@H](C1)c1ccccc1
O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)c2ccccc12 O=C([O-])[*:1] O=S(=O)(c1ccc(Br)c2ccccc12)N1CCC[C@H]1[*:1]
Nc1ccc(CSc2nncs2)cc1F c1nnc(s1)[*:1] Nc1ccc(cc1F)CS[*:1]
CNC(=O)CN(C)C(=O)c1n[nH]c(C2CC2)n1 CNC(=O)C[*:1] CN(C(=O)c1n[nH]c(n1)C1CC1)[*:1]
CNC(=O)CN(C)C(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] CNC(=O)CN(C)C(=O)c1n[nH]c(n1)[*:1]
CNC(=O)CN(C)C(=O)c1n[nH]c(C2CC2)n1 CNC(=O)[*:1] CN(C[*:1])C(=O)c1n[nH]c(n1)C1CC1
O=C(C[n+]1c(-c2ccccc2)cn2ccccc21)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(C[n+]1c(cn2ccccc21)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(C[n+]1c(-c2ccccc2)cn2ccccc21)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(C[n+]1c(cn2ccccc21)-c1ccccc1)c1cccc(c1)[*:1]
O=C(C[n+]1c(-c2ccccc2)cn2ccccc21)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(C[n+]1c(cn2ccccc21)-c1ccccc1)[*:1]
C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](NCc3cccs3)CN2C1=O c1csc(c1)C[*:1] C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@@H](CN2C1=O)N[*:1]
C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](NCc3cccs3)CN2C1=O c1csc(c1)CN[*:1] C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](CN2C1=O)[*:1]
C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](NCc3cccs3)CN2C1=O c1csc(c1)[*:1] C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@@H](CN2C1=O)NC[*:1]
C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H](NCc3cccs3)CN2C1=O C[C@H](O)[*:1] O=C1N[C@@H](C(=O)N2C[C@H](C[C@@H]12)NCc1cccs1)[*:1]
O=C([O-])/C=C\C(F)(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] O=C([O-])/C=C\C(F)(C(F)(F)F)[*:1]
O=C([O-])/C=C\C(F)(C(F)(F)F)C(F)(F)F O=C([O-])[*:1] FC(F)(F)C(F)(C=C[*:1])C(F)(F)F
COc1cccc([C@H]2C[NH+]=C(N)N2CC(C)C)c1OC CC(C)[*:1] COc1cccc(c1OC)[C@H]1C[NH+]=C(N)N1C[*:1]
COc1cccc([C@H]2C[NH+]=C(N)N2CC(C)C)c1OC CC(C)C[*:1] COc1cccc(c1OC)[C@H]1C[NH+]=C(N)N1[*:1]
COc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-n4nc(C)cc4C)nn3)C2)cc(OC)c1 Cc1cc(C)n(n1)[*:1] COc1cc(cc(c1)OC)NC(=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
COc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-n4nc(C)cc4C)nn3)C2)cc(OC)c1 COc1cc(cc(c1)[*:1])OC Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC[C@H](C1)C(=O)N[*:1]
C=CCc1c(C)nn(CC(=O)[O-])c1-c1ccccc1 C=CC[*:1] Cc1nn(CC(=O)[O-])c(-c2ccccc2)c1[*:1]
C=CCc1c(C)nn(CC(=O)[O-])c1-c1ccccc1 c1ccc(cc1)[*:1] C=CCc1c(C)nn(CC(=O)[O-])c1[*:1]
C=CCc1c(C)nn(CC(=O)[O-])c1-c1ccccc1 O=C([O-])C[*:1] C=CCc1c(C)nn(c1-c1ccccc1)[*:1]
C=CCc1c(C)nn(CC(=O)[O-])c1-c1ccccc1 O=C([O-])[*:1] C=CCc1c(C)nn(C[*:1])c1-c1ccccc1
COc1ccccc1[C@H](C#N)NC(=O)CSc1ccc(F)c(F)c1 COc1ccccc1[*:1] N#C[C@H](NC(=O)CSc1ccc(F)c(F)c1)[*:1]
COc1ccccc1[C@H](C#N)NC(=O)CSc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COc1ccccc1[C@H](C#N)NC(=O)CS[*:1]
CC[C@H](C)NC(=O)c1ccccc1C CC[C@H](C)[*:1] Cc1ccccc1C(=O)N[*:1]
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)c(C(F)(F)F)c3)n2)c1 COc1cccc(c1)[*:1] N#C/C(=C/Nc1ccc(Cl)c(c1)C(F)(F)F)c1nc(cs1)[*:1]
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)c(C(F)(F)F)c3)n2)c1 FC(F)(F)[*:1] COc1cccc(c1)-c1csc(n1)/C(C#N)=C\Nc1ccc(Cl)c(c1)[*:1]
N#Cc1ccc(/C=C/C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1 FC(F)(F)C[*:1] N#Cc1ccc(/C=C/C[NH2+][C@H]2CCN(C2)[*:1])cc1
N#Cc1ccc(/C=C/C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1 FC(F)(F)[*:1] N#Cc1ccc(/C=C/C[NH2+][C@H]2CCN(C2)C[*:1])cc1
CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CCl)n1 c1csc(c1)[*:1] CCCc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)CCl)[*:1]
CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CCl)n1 O=C(CCl)N[*:1] CCCc1cc(=O)[nH]c(n1)-n1nc(cc1[*:1])-c1cccs1
CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CCl)n1 CCC[*:1] O=C(CCl)Nc1cc(nn1-c1nc(cc(=O)[nH]1)[*:1])-c1cccs1
Cc1noc([C@H](OC(=O)c2nc3nccc(C)n3n2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@H](OC(=O)c1nc2nccc(C)n2n1)[*:1]
Cc1noc([C@H](OC(=O)c2nc3nccc(C)n3n2)c2ccccc2)n1 Cc1noc(n1)[*:1] Cc1ccnc2nc(nn12)C(=O)O[C@H](c1ccccc1)[*:1]
CC(C)N(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 CC(C)[*:1] O=C(CSc1nnc(o1)-c1ccc(Cl)cc1)N(C1CCCC1)[*:1]
CC(C)N(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 C1CCC(C1)[*:1] CC(C)N(C(=O)CSc1nnc(o1)-c1ccc(Cl)cc1)[*:1]
CC(C)N(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 Clc1ccc(cc1)[*:1] CC(C)N(C(=O)CSc1nnc(o1)[*:1])C1CCCC1
CCCNc1ncc(CO[C@@H]2CCCc3ccccc32)s1 CCCN[*:1] c1ccc2c(c1)CCC[C@H]2OCc1cnc(s1)[*:1]
CCCNc1ncc(CO[C@@H]2CCCc3ccccc32)s1 CCC[*:1] c1ccc2c(c1)CCC[C@H]2OCc1cnc(N[*:1])s1
Cc1nc(-c2ccc(CNC(=O)C[C@@H]3CCc4ccccc43)cc2)no1 Cc1nc(no1)[*:1] O=C(C[C@@H]1CCc2ccccc21)NCc1ccc(cc1)[*:1]
CC(C)CCNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 CC(C)[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)NCC[*:1])c2C(N)=O
CC(C)CCNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 CC(C)C[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)NC[*:1])c2C(N)=O
CC(C)CCNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 CC(C)CC[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)N[*:1])c2C(N)=O
CC(C)CCNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 NC(=O)[*:1] CC(C)CCNC(=O)Nc1sc2COC(C)(C)Cc2c1[*:1]
Cc1nc(COc2ccc(/C=C/C(=O)Nc3cccc(C#N)c3)cc2)cs1 N#Cc1cccc(c1)[*:1] Cc1nc(cs1)COc1ccc(/C=C/C(=O)N[*:1])cc1
Cc1nc(COc2ccc(/C=C/C(=O)Nc3cccc(C#N)c3)cc2)cs1 Cc1nc(cs1)[*:1] N#Cc1cccc(c1)NC(=O)/C=C/c1ccc(cc1)OC[*:1]
Cc1nc(COc2ccc(/C=C/C(=O)Nc3cccc(C#N)c3)cc2)cs1 Cc1nc(cs1)C[*:1] N#Cc1cccc(c1)NC(=O)/C=C/c1ccc(cc1)O[*:1]
Cc1nc(COc2ccc(/C=C/C(=O)Nc3cccc(C#N)c3)cc2)cs1 Cc1nc(cs1)CO[*:1] N#Cc1cccc(c1)NC(=O)/C=C/c1ccc(cc1)[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 FC(F)[*:1] N#Cc1ccc(O[*:1])c(c1)NC(=O)C[C@@H]1OC(=O)c2ccccc21
N#Cc1ccc(OC(F)F)c(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 FC(F)O[*:1] N#Cc1ccc(c(c1)NC(=O)C[C@@H]1OC(=O)c2ccccc21)[*:1]
CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(Cl)cn1 CCC[*:1] C[C@@H]1CCCN(C(=O)c2ccc(Cl)cn2)[C@@H]1[*:1]
Cc1cc(-c2cc(C(=O)N[C@H](C(=O)N(C)C)c3ccccc3)c3c(C)noc3n2)c(C)o1 CN(C)C(=O)[*:1] Cc1cc(-c2cc(C(=O)N[C@H](c3ccccc3)[*:1])c3c(C)noc3n2)c(C)o1
Cc1cc(-c2cc(C(=O)N[C@H](C(=O)N(C)C)c3ccccc3)c3c(C)noc3n2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(-c2cc(C(=O)N[C@H](C(=O)N(C)C)[*:1])c3c(C)noc3n2)c(C)o1
Cc1cc(-c2cc(C(=O)N[C@H](C(=O)N(C)C)c3ccccc3)c3c(C)noc3n2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1noc2nc(cc(C(=O)N[C@H](C(=O)N(C)C)c3ccccc3)c12)[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)C[C@H]3OC(=O)c4ccccc43)c2)n1 Cc1n[nH]c(n1)[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)NCc1cccc(c1)[*:1]
CCc1ccc(-c2cc(NC(C)=O)c(=O)n([C@@H](C)C(=O)Nc3ccccc3Cl)n2)cc1 O=C(Nc1ccccc1Cl)[*:1] CCc1ccc(cc1)-c1cc(NC(C)=O)c(=O)n(n1)[C@@H](C)[*:1]
CCc1ccc(-c2cc(NC(C)=O)c(=O)n([C@@H](C)C(=O)Nc3ccccc3Cl)n2)cc1 CC(=O)N[*:1] CCc1ccc(cc1)-c1cc(c(=O)n(n1)[C@@H](C)C(=O)Nc1ccccc1Cl)[*:1]
CCc1ccc(-c2cc(NC(C)=O)c(=O)n([C@@H](C)C(=O)Nc3ccccc3Cl)n2)cc1 CCc1ccc(cc1)[*:1] CC(=O)Nc1cc(nn(c1=O)[C@@H](C)C(=O)Nc1ccccc1Cl)[*:1]
CCc1ccc(-c2cc(NC(C)=O)c(=O)n([C@@H](C)C(=O)Nc3ccccc3Cl)n2)cc1 Clc1ccccc1[*:1] CCc1ccc(cc1)-c1cc(NC(C)=O)c(=O)n(n1)[C@@H](C)C(=O)N[*:1]
Cc1cc(C)nc(S[C@@H]2CC[C@]([NH3+])(C(N)=O)C2)n1 NC(=O)[*:1] Cc1cc(C)nc(n1)S[C@@H]1CC[C@]([NH3+])(C1)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)COc2ccccc2Cl)nn1 Clc1ccccc1[*:1] Cc1ccc(nn1)-n1nc(C)cc1NC(=O)CO[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)COc2ccccc2Cl)nn1 Cc1ccc(nn1)[*:1] Cc1cc(NC(=O)COc2ccccc2Cl)n(n1)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)COc2ccccc2Cl)nn1 Clc1ccccc1O[*:1] Cc1ccc(nn1)-n1nc(C)cc1NC(=O)C[*:1]
CN(CCOCC1CC1)C(=O)c1cnn(C)c1-n1cccc1 C(C[*:1])OCC1CC1 CN(C(=O)c1cnn(C)c1-n1cccc1)[*:1]
CN(CCOCC1CC1)C(=O)c1cnn(C)c1-n1cccc1 c1ccn(c1)[*:1] CN(CCOCC1CC1)C(=O)c1cnn(C)c1[*:1]
CN(CCOCC1CC1)C(=O)c1cnn(C)c1-n1cccc1 C1CC1CO[*:1] CN(CC[*:1])C(=O)c1cnn(C)c1-n1cccc1
CN(CCOCC1CC1)C(=O)c1cnn(C)c1-n1cccc1 C1CC1[*:1] CN(CCOC[*:1])C(=O)c1cnn(C)c1-n1cccc1
CN(CCOCC1CC1)C(=O)c1cnn(C)c1-n1cccc1 C1CC1COC[*:1] CN(C[*:1])C(=O)c1cnn(C)c1-n1cccc1
CN(CCOCC1CC1)C(=O)c1cnn(C)c1-n1cccc1 C1CC1C[*:1] CN(CCO[*:1])C(=O)c1cnn(C)c1-n1cccc1
CCn1nc(C)cc1C(=O)NCCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCn1nc(C)cc1C(=O)NCCc1cccc(c1)[*:1]
Cn1ncnc1CCNC(=O)NCC1(c2cccc(Cl)c2)CCCC1 Clc1cccc(c1)[*:1] Cn1ncnc1CCNC(=O)NCC1(CCCC1)[*:1]
Cn1ncnc1CCNC(=O)NCC1(c2cccc(Cl)c2)CCCC1 Cn1ncnc1[*:1] O=C(NCC[*:1])NCC1(CCCC1)c1cccc(Cl)c1
Cn1ncnc1CCNC(=O)NCC1(c2cccc(Cl)c2)CCCC1 Cn1ncnc1CC[*:1] O=C(NCC1(CCCC1)c1cccc(Cl)c1)N[*:1]
Cn1ncnc1CCNC(=O)NCC1(c2cccc(Cl)c2)CCCC1 Cn1ncnc1C[*:1] O=C(NCC1(CCCC1)c1cccc(Cl)c1)NC[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(C)nc1 Cc1ccc(cn1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)C[*:1]
CC[C@H]([NH2+]C[C@H](O)c1ccncc1)C1CCCCC1 c1cc(ccn1)[*:1] CC[C@H]([NH2+]C[C@H](O)[*:1])C1CCCCC1
CC[C@H]([NH2+]C[C@H](O)c1ccncc1)C1CCCCC1 C1CCC(CC1)[*:1] CC[C@H]([NH2+]C[C@H](O)c1ccncc1)[*:1]
CC/C(=N\Cc1cc(OC)cc(OC)c1)C1C(=O)N(c2ccccc2C)C(=O)N=C1O Cc1ccccc1[*:1] CC/C(=N\Cc1cc(cc(c1)OC)OC)C1C(=O)N(C(=O)N=C1O)[*:1]
CC/C(=N\Cc1cc(OC)cc(OC)c1)C1C(=O)N(c2ccccc2C)C(=O)N=C1O COc1cc(cc(c1)[*:1])OC CC/C(=N\C[*:1])C1C(=O)N(C(=O)N=C1O)c1ccccc1C
COc1ccc(-[n+]2noc([O-])c2C(=O)CSc2nc3ccccc3[nH]2)cc1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(cc1)-[n+]1noc([O-])c1C(=O)CS[*:1]
COc1ccc(-[n+]2noc([O-])c2C(=O)CSc2nc3ccccc3[nH]2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2[nH]1)c1c([O-])on[n+]1[*:1]
CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)N1N=C(C[C@H]1c1cccc(c1)[*:1])c1ccc(cc1)NS(C)(=O)=O
CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC(=O)N1N=C(C[C@@H]1[*:1])c1ccc(cc1)NS(C)(=O)=O
CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 CS(=O)(=O)N[*:1] CC(=O)N1N=C(C[C@H]1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
CCOCC[NH+](C)CC(=O)Nc1ccc(F)c(F)c1 CCOCC[*:1] C[NH+](CC(=O)Nc1ccc(F)c(F)c1)[*:1]
CCOCC[NH+](C)CC(=O)Nc1ccc(F)c(F)c1 CCOC[*:1] C[NH+](CC(=O)Nc1ccc(F)c(F)c1)C[*:1]
CCOCC[NH+](C)CC(=O)Nc1ccc(F)c(F)c1 CCO[*:1] C[NH+](CC[*:1])CC(=O)Nc1ccc(F)c(F)c1
NC(=S)Cc1ccc(O[C@@H]2CCOC3(CCCC3)C2)cc1 NC(=S)[*:1] c1cc(ccc1C[*:1])O[C@@H]1CCOC2(CCCC2)C1
NC(=S)Cc1ccc(O[C@@H]2CCOC3(CCCC3)C2)cc1 NC(=S)C[*:1] c1cc(ccc1O[C@@H]1CCOC2(CCCC2)C1)[*:1]
CCOC(=O)c1ccc(NC(=O)C[C@H]2CSc3nc(CC)cc(=O)n32)cc1 CCOC(=O)[*:1] CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccc(cc1)[*:1]
Cn1cc([C@@H]2CN(Cc3ccc(-c4ccccc4)s3)CCO2)cn1 Cn1cc(cn1)[*:1] c1ccc(cc1)-c1ccc(CN2CCO[C@@H](C2)[*:1])s1
Cn1cc([C@@H]2CN(Cc3ccc(-c4ccccc4)s3)CCO2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)[C@@H]1CN(CCO1)Cc1ccc(s1)[*:1]
Cc1cc(C(=O)NCCNC(=O)C(C)C)c(C)o1 CC(C)[*:1] Cc1cc(C(=O)NCCNC(=O)[*:1])c(C)o1
Cc1cc(C(=O)NCCNC(=O)C(C)C)c(C)o1 CC(C)C(=O)N[*:1] Cc1cc(C(=O)NCC[*:1])c(C)o1
Cc1ccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)cc1 Cc1ccc(cc1)[*:1] S=c1[nH]nc(-c2cccc(Cl)c2)n1N=C[*:1]
Cc1ccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)cc1 Clc1cccc(c1)[*:1] Cc1ccc(/C=N/n2c(n[nH]c2=S)[*:1])cc1
CO[C@@]1(C)C[C@@H](NC(=O)NCCCSC)C1(C)C CSC[*:1] CO[C@@]1(C)C[C@@H](NC(=O)NCC[*:1])C1(C)C
CO[C@@]1(C)C[C@@H](NC(=O)NCCCSC)C1(C)C CSCC[*:1] CO[C@@]1(C)C[C@@H](NC(=O)NC[*:1])C1(C)C
CO[C@@]1(C)C[C@@H](NC(=O)NCCCSC)C1(C)C CSCCC[*:1] CO[C@@]1(C)C[C@@H](NC(=O)N[*:1])C1(C)C
C=CCCO[C@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O C=CC[*:1] C[C@@H](OC[*:1])C(=O)NNC(=O)c1cc(Cl)ccc1O
C=CCCO[C@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O C=CCC[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)c1cc(Cl)ccc1O
C=CCCO[C@H](C)C(=O)NNC(=O)c1cc(Cl)ccc1O C=CCCO[*:1] C[C@H](C(=O)NNC(=O)c1cc(Cl)ccc1O)[*:1]
O=C(N[C@H]1CCCc2ccc(F)cc21)c1ncoc1-c1ccco1 c1coc(c1)[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)c1ncoc1[*:1]
CCOC(=O)C1CCC([NH+](C)CCS(C)(=O)=O)CC1 CCOC(=O)[*:1] C[NH+](CCS(C)(=O)=O)C1CCC(CC1)[*:1]
CCOC(=O)C1CCC([NH+](C)CCS(C)(=O)=O)CC1 CS(=O)(=O)[*:1] CCOC(=O)C1CCC(CC1)[NH+](C)CC[*:1]
CCOC(=O)C1CCC([NH+](C)CCS(C)(=O)=O)CC1 CS(=O)(=O)C[*:1] CCOC(=O)C1CCC(CC1)[NH+](C)C[*:1]
CCOC(=O)C1CCC([NH+](C)CCS(C)(=O)=O)CC1 CS(=O)(=O)CC[*:1] CCOC(=O)C1CCC(CC1)[NH+](C)[*:1]
C[C@H](N[C@H](C)c1nccs1)c1cc(F)ccc1N1CCC(O)CC1 C[C@H](c1nccs1)[*:1] C[C@H](N[*:1])c1cc(F)ccc1N1CCC(O)CC1
C[C@H](N[C@H](C)c1nccs1)c1cc(F)ccc1N1CCC(O)CC1 c1csc(n1)[*:1] C[C@H](N[C@H](C)[*:1])c1cc(F)ccc1N1CCC(O)CC1
C[C@H](N[C@H](C)c1nccs1)c1cc(F)ccc1N1CCC(O)CC1 OC1CCN(CC1)[*:1] C[C@H](N[C@H](C)c1nccs1)c1cc(F)ccc1[*:1]
COc1ccc(-c2nc3s/c(=C\c4ccc(Br)cc4)c(=O)n3n2)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nc2sc(=C[*:1])c(=O)n2n1
COC[C@H](C)OC(=O)c1ccc(NC(=O)c2cccs2)cc1 COC[*:1] C[C@H](OC(=O)c1ccc(cc1)NC(=O)c1cccs1)[*:1]
COC[C@H](C)OC(=O)c1ccc(NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] COC[C@H](C)OC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)(C)CCNC(=O)CN1CCN(C2=[NH+]CC(C)(C)S2)CC1 CC(C)(C)CC[*:1] CC1(C)C[NH+]=C(S1)N1CCN(CC1)CC(=O)N[*:1]
CC(C)(C)CCNC(=O)CN1CCN(C2=[NH+]CC(C)(C)S2)CC1 CC(C)(C)[*:1] CC1(C)C[NH+]=C(S1)N1CCN(CC1)CC(=O)NCC[*:1]
CC(C)(C)CCNC(=O)CN1CCN(C2=[NH+]CC(C)(C)S2)CC1 CC(C)(C)C[*:1] CC1(C)C[NH+]=C(S1)N1CCN(CC1)CC(=O)NC[*:1]
c1ccc(-c2ccc(C3[NH+]=c4ccccc4=[NH+]3)o2)cc1 c1ccc(cc1)[*:1] c1ccc2=[NH+]C([NH+]=c2c1)c1ccc(o1)[*:1]
CC(C)(C)[C@H]1CC[C@@H](O)[C@H]([C@@H]2CCOC3(CCC3)C2)C1 CC(C)(C)[*:1] O[C@@H]1CC[C@@H](C[C@H]1[C@@H]1CCOC2(CCC2)C1)[*:1]
CCCc1cc(N2CCC(C(=O)[O-])CC2)nc(CC)[nH+]1 CCC[*:1] CCc1nc(cc([nH+]1)[*:1])N1CCC(CC1)C(=O)[O-]
CCCc1cc(N2CCC(C(=O)[O-])CC2)nc(CC)[nH+]1 O=C([O-])[*:1] CCCc1cc(nc(CC)[nH+]1)N1CCC(CC1)[*:1]
Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)S(=O)(=O)NCCC#N
Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)c1ccc(cc1)S(=O)(=O)NCCC#N)[*:1]
Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)o1 N#CCCNS(=O)(=O)[*:1] Cc1ccc(CN(C)C(=O)c2ccc(cc2)[*:1])o1
Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)o1 N#CCC[*:1] Cc1ccc(CN(C)C(=O)c2ccc(cc2)S(=O)(=O)N[*:1])o1
Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)o1 N#CC[*:1] Cc1ccc(CN(C)C(=O)c2ccc(cc2)S(=O)(=O)NC[*:1])o1
COc1ccccc1-c1nc(-c2ccccc2)nc(N2CC[NH+](C)CC2)c1C#N COc1ccccc1[*:1] C[NH+]1CCN(CC1)c1nc(nc(c1C#N)[*:1])-c1ccccc1
COc1ccccc1-c1nc(-c2ccccc2)nc(N2CC[NH+](C)CC2)c1C#N c1ccc(cc1)[*:1] COc1ccccc1-c1nc(nc(c1C#N)N1CC[NH+](C)CC1)[*:1]
C[C@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)[*:1]
C[C@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)C(=O)NC(N)=O c1coc(c1)C[*:1] C[C@H](Sc1nnc(N2CCCCC2)n1[*:1])C(=O)NC(N)=O
C[C@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)C(=O)NC(N)=O C1CCN(CC1)[*:1] C[C@H](Sc1nnc(n1Cc1ccco1)[*:1])C(=O)NC(N)=O
C[C@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)C(=O)NC(N)=O c1coc(c1)[*:1] C[C@H](Sc1nnc(N2CCCCC2)n1C[*:1])C(=O)NC(N)=O
CCn1ccnc1SCC(=O)c1ccc2ccccc2c1 CCn1ccnc1[*:1] O=C(CS[*:1])c1ccc2ccccc2c1
CCO/N=C(/C)c1c([O-])cc(C(C)(C)C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] CCO/N=C(/C)c1c([O-])cc(n(c1=O)[*:1])C(C)(C)C
CCO/N=C(/C)c1c([O-])cc(C(C)(C)C)n(-c2ccccc2)c1=O CC(C)(C)[*:1] CCO/N=C(/C)c1c([O-])cc(n(-c2ccccc2)c1=O)[*:1]
CCO/N=C(/C)c1c([O-])cc(C(C)(C)C)n(-c2ccccc2)c1=O CCON=C(C)[*:1] CC(C)(C)c1cc([O-])c(c(=O)n1-c1ccccc1)[*:1]
CC[C@@H](CC#N)N[C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 N#CC[*:1] CC[C@@H](N[C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[*:1]
CC[C@@H](CC#N)N[C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 CC[C@@H](CC#N)[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@@H]1N[*:1]
C[C@@H]1CN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C[C@H]1C(=O)[O-] O=C([O-])[*:1] C[C@@H]1CN(C[C@@H]1[*:1])C(=O)[C@@H]1CCCCC[C@@H]1[NH3+]
Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1])C(C)C
Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1 CC(C)[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@H]1CC(=O)N(C1)C1CC1)[*:1]
CCc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nc(N)nc3N2)cc1 Clc1ccccc1[*:1] CCc1ccc(cc1)[C@@H]1C[C@@H](n2nc(N)nc2N1)[*:1]
CCc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nc(N)nc3N2)cc1 CCc1ccc(cc1)[*:1] Nc1nc2N[C@@H](C[C@@H](c3ccccc3Cl)n2n1)[*:1]
Cc1cccc(/C=N/NC(=O)C(C)(C)C)n1 CC(C)(C)[*:1] Cc1cccc(/C=N/NC(=O)[*:1])n1
Cc1c(NC(=O)N[C@H]2C[C@@H]2C)cccc1N1C(=O)CCC1=O O=C1CCC(=O)N1[*:1] Cc1c(cccc1[*:1])NC(=O)N[C@H]1C[C@@H]1C
C[C@@H]([NH2+]CC(=O)NC1CCCCC1)c1cccs1 c1csc(c1)[*:1] C[C@@H]([NH2+]CC(=O)NC1CCCCC1)[*:1]
C[C@@H]([NH2+]CC(=O)NC1CCCCC1)c1cccs1 C1CCC(CC1)[*:1] C[C@@H]([NH2+]CC(=O)N[*:1])c1cccs1
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCCN1CCOCC1 Fc1ccc(cc1)[*:1] O=C(CCc1c([nH]c2ccc(F)cc12)[*:1])NCCN1CCOCC1
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CCc1c([nH]c2ccc(F)cc12)-c1ccc(F)cc1)NC[*:1]
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C(CCc1c([nH]c2ccc(F)cc12)-c1ccc(F)cc1)N[*:1]
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(CCc1c([nH]c2ccc(F)cc12)-c1ccc(F)cc1)NCC[*:1]
COc1ccc(C(=O)/C=C/NNC(=O)c2ccccc2O)cc1 Oc1ccccc1[*:1] COc1ccc(cc1)C(=O)/C=C/NNC(=O)[*:1]
O=C(CC[S@](=O)Cc1ccccc1Cl)NC1CCCCC1 Clc1ccccc1[*:1] O=C(CC[S@](=O)C[*:1])NC1CCCCC1
O=C(CC[S@](=O)Cc1ccccc1Cl)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CC[S@](=O)Cc1ccccc1Cl)N[*:1]
COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C COc1ccccc1[*:1] Cn1cc(cc1C(=O)N[*:1])S(=O)(=O)N1CCCC1
COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C O=S(=O)(N1CCCC1)[*:1] COc1ccccc1NC(=O)c1cc(cn1C)[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)[C@@H]1C(C(=O)c2ccncc2)=C([O-])C(=O)N1[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2Cc2ccccc2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccccc1
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2Cc2ccccc2)c1 O=C(c1ccncc1)[*:1] COc1cccc(c1)[C@@H]1C(=C([O-])C(=O)N1Cc1ccccc1)[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2Cc2ccccc2)c1 COc1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1[*:1])c1ccncc1
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1C(C(=O)c2ccncc2)=C([O-])C(=O)N1C[*:1]
Cc1cc(C)c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)c1 N#Cc1cccc(c1)[*:1] Cc1cc(C)c(C(=O)N2CCC(CC2)O[*:1])c(C)c1
C=CCSc1nnc(NC(=O)COC)s1 C=CCS[*:1] COCC(=O)Nc1nnc(s1)[*:1]
C=CCSc1nnc(NC(=O)COC)s1 C=CC[*:1] COCC(=O)Nc1nnc(S[*:1])s1
C=CCSc1nnc(NC(=O)COC)s1 COC[*:1] C=CCSc1nnc(NC(=O)[*:1])s1
O=C(c1ccc2ccccc2n1)N1CCC(C(=O)N2CCCCCC2)CC1 O=C(N1CCCCCC1)[*:1] O=C(c1ccc2ccccc2n1)N1CCC(CC1)[*:1]
CCc1c(C(=O)N(C)CCc2cccs2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)N(C)CCc1cccs1
CCc1c(C(=O)N(C)CCc2cccs2)cnn1-c1ccccc1 c1csc(c1)[*:1] CCc1c(cnn1-c1ccccc1)C(=O)N(C)CC[*:1]
CCc1c(C(=O)N(C)CCc2cccs2)cnn1-c1ccccc1 c1csc(c1)C[*:1] CCc1c(cnn1-c1ccccc1)C(=O)N(C)C[*:1]
CCc1c(C(=O)N(C)CCc2cccs2)cnn1-c1ccccc1 c1csc(c1)CC[*:1] CCc1c(cnn1-c1ccccc1)C(=O)N(C)[*:1]
CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2SCCc3ccccc32)C1 CCOC(=O)N[*:1] O=C([C@H]1SCCc2ccccc21)N1CCC[C@H](C1)[*:1]
CC(=O)Nc1ccc(NC(=O)CSC2=NC(=O)CC(N)=N2)cc1 CC(=O)N[*:1] NC1CC(=O)N=C(N=1)SCC(=O)Nc1ccc(cc1)[*:1]
NC(=O)c1c(NC(=O)C[C@H]2CCCO2)sc2c1CCCC2 NC(=O)[*:1] O=C(C[C@H]1CCCO1)Nc1sc2CCCCc2c1[*:1]
NC(=O)c1c(NC(=O)C[C@H]2CCCO2)sc2c1CCCC2 C1CO[C@H](C1)C[*:1] NC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
NC(=O)c1c(NC(=O)C[C@H]2CCCO2)sc2c1CCCC2 C1CO[C@H](C1)[*:1] NC(=O)c1c(NC(=O)C[*:1])sc2CCCCc21
COCc1cc(NCc2cc(F)cc(OC)c2)n2ncnc2n1 COC[*:1] COc1cc(F)cc(c1)CNc1cc(nc2ncnn12)[*:1]
Cc1cccc(C[NH+]2CCC(NC/C=C/c3ccc(C#N)cc3)CC2)c1 N#Cc1ccc(cc1)[*:1] Cc1cccc(c1)C[NH+]1CCC(CC1)NCC=C[*:1]
Cc1cccc(C[NH+]2CCC(NC/C=C/c3ccc(C#N)cc3)CC2)c1 Cc1cccc(c1)C[*:1] N#Cc1ccc(/C=C/CNC2CC[NH+](CC2)[*:1])cc1
Cc1cccc(C[NH+]2CCC(NC/C=C/c3ccc(C#N)cc3)CC2)c1 Cc1cccc(c1)[*:1] N#Cc1ccc(/C=C/CNC2CC[NH+](CC2)C[*:1])cc1
Cc1nc(C)c(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)s1 C1CCCC(CC1)[*:1] Cc1nc(C)c(s1)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
Cc1nc(C)c(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)s1 Cc1nc(C)c(s1)[*:1] O=C1C[C@@H](CN1C1CCCCCC1)NC(=O)[*:1]
CCC1(CO)CCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)CC1 CS(=O)(=O)[*:1] CCC1(CO)CCN(CC1)c1nc(C)c2ccc(cc2n1)[*:1]
Cc1c(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cnn1C Cc1c(cnn1C)[*:1] CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(n1)[*:1]
Cc1c(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cnn1C Clc1cccc(c1)[*:1] Cc1c(cnn1C)-c1nc(no1)C(C)(C)NC(=O)[*:1]
CC(C)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O NC(=O)N[*:1] CC(C)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CC(C)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O CC(C)[*:1] C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O)[*:1]
CC(C)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O CC(C)[C@H](C)[*:1] NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1]
Cc1cc(N2CCC[C@H](OC(=O)Cc3ccccc3C)C2)nc(C)[nH+]1 Cc1ccccc1C[*:1] Cc1cc(nc(C)[nH+]1)N1CCC[C@@H](C1)OC(=O)[*:1]
Cc1cc(N2CCC[C@H](OC(=O)Cc3ccccc3C)C2)nc(C)[nH+]1 Cc1ccccc1[*:1] Cc1cc(nc(C)[nH+]1)N1CCC[C@@H](C1)OC(=O)C[*:1]
NC(=O)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2cccc(F)c2)c2ccccc21 NC(=O)[*:1] O=C1N(C[*:1])c2ccccc2[C@@]12CC(O)=Nc1c2cnn1-c1cccc(F)c1
NC(=O)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2cccc(F)c2)c2ccccc21 Fc1cccc(c1)[*:1] NC(=O)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3[*:1])c2ccccc21
NC(=O)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2cccc(F)c2)c2ccccc21 NC(=O)C[*:1] O=C1N(c2ccccc2[C@@]12CC(O)=Nc1c2cnn1-c1cccc(F)c1)[*:1]
COc1c(C)cnc(CNC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccnc2)c1C c1cncc(c1)[*:1] COc1c(C)cnc(CNC(=O)C2=C(C)NC(=O)N[C@H]2[*:1])c1C
CCOC(=O)N1CCc2c(sc(NC(=O)C3CCC3)c2-c2nc3ccccc3s2)C1 O=C(N[*:1])C1CCC1 CCOC(=O)N1CCc2c(C1)sc(c2-c1nc2ccccc2s1)[*:1]
CCOC(=O)N1CCc2c(sc(NC(=O)C3CCC3)c2-c2nc3ccccc3s2)C1 C1CC(C1)[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2-c1nc2ccccc2s1
CCOC(=O)N1CCc2c(sc(NC(=O)C3CCC3)c2-c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)C1CCC1)c2[*:1]
CNC(=O)[C@@H](C)NC(=O)C=C1CCSCC1 CNC(=O)[*:1] C[C@@H](NC(=O)C=C1CCSCC1)[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)O[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)C[C@@H](C)O1 FC(F)(F)O[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCc2ccccc2C1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)NS(=O)(=O)[*:1])N1CCc2ccccc2C1
CN(C(=O)CCCCC(=O)[O-])C1CC[NH+](C)CC1 O=C([O-])CCC[*:1] CN(C(=O)C[*:1])C1CC[NH+](C)CC1
CN(C(=O)CCCCC(=O)[O-])C1CC[NH+](C)CC1 O=C([O-])CC[*:1] CN(C(=O)CC[*:1])C1CC[NH+](C)CC1
CN(C(=O)CCCCC(=O)[O-])C1CC[NH+](C)CC1 O=C([O-])[*:1] CN(C(=O)CCCC[*:1])C1CC[NH+](C)CC1
CN(C(=O)CCCCC(=O)[O-])C1CC[NH+](C)CC1 O=C([O-])C[*:1] CN(C(=O)CCC[*:1])C1CC[NH+](C)CC1
O=C(c1cc(F)cc(F)c1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 c1csc(c1)[*:1] O=C(c1cc(F)cc(F)c1)N1CCC[C@H]1Cn1nnc(n1)[*:1]
O=C(c1cc(F)cc(F)c1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 Fc1cc(F)cc(c1)[*:1] O=C(N1CCC[C@H]1Cn1nnc(n1)-c1cccs1)[*:1]
O=C([O-])c1ccc2c(c1)[C@@H](C1CCOCC1)C(=O)N2 O=C([O-])[*:1] O=C1Nc2ccc(cc2[C@H]1C1CCOCC1)[*:1]
O=C([O-])c1ccc2c(c1)[C@@H](C1CCOCC1)C(=O)N2 C1CC(CCO1)[*:1] O=C([O-])c1ccc2NC(=O)[C@H](c2c1)[*:1]
CCNC(=O)CCc1ccc(OC)cc1 CCNC(=O)[*:1] COc1ccc(cc1)CC[*:1]
C=CCSc1ccccc1N[C@@H]1CC[C@@H]([NH3+])C1 C=CCS[*:1] [NH3+][C@@H]1CC[C@H](C1)Nc1ccccc1[*:1]
C=CCSc1ccccc1N[C@@H]1CC[C@@H]([NH3+])C1 C=CC[*:1] [NH3+][C@@H]1CC[C@H](C1)Nc1ccccc1S[*:1]
CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1cc2ccccc2[nH]1 O=C([O-])[*:1] CN1C(=O)c2ccccc2[C@@H]([C@@H]1c1cc2ccccc2[nH]1)[*:1]
CCn1nc(C(=O)NC[C@H](C)Oc2ccccc2F)ccc1=O Fc1ccccc1[*:1] CCn1nc(ccc1=O)C(=O)NC[C@H](C)O[*:1]
COc1ccc(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 O=C(N1CCCCC1)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)N1CCCCC1
O=C(c1ccc(-n2cccn2)cc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 c1cnn(c1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCO[C@H](C1)c1ccc(F)c(Cl)c1
O=C(c1ccc(-n2cccn2)cc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1Cl)[*:1] O=C(c1ccc(cc1)-n1cccn1)N1CCO[C@@H](C1)[*:1]
CC[C@@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)c1cccs1 Clc1ccc(cc1)[*:1] CC[C@@H](NC(=O)N[C@H](CO)[*:1])c1cccs1
CC[C@@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)[*:1]
Cc1cccc(-c2nc(CSC3=N[C@@H]4C(=O)N=CN=C4N3C[C@@H]3CCCO3)c(C)o2)c1 C1CO[C@@H](C1)[*:1] Cc1cccc(c1)-c1nc(CSC2=N[C@@H]3C(=O)N=CN=C3N2C[*:1])c(C)o1
Cc1cccc(-c2nc(CSC3=N[C@@H]4C(=O)N=CN=C4N3C[C@@H]3CCCO3)c(C)o2)c1 Cc1cccc(c1)[*:1] Cc1oc(nc1CSC1=N[C@@H]2C(=O)N=CN=C2N1C[C@@H]1CCCO1)[*:1]
Cc1cccc(-c2nc(CSC3=N[C@@H]4C(=O)N=CN=C4N3C[C@@H]3CCCO3)c(C)o2)c1 C1CO[C@@H](C1)C[*:1] Cc1cccc(c1)-c1nc(CSC2=N[C@@H]3C(=O)N=CN=C3N2[*:1])c(C)o1
C[NH+](C)[C@@H](CNC(=O)Nc1cccnc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1cccnc1)[*:1]
C[NH+](C)[C@@H](CNC(=O)Nc1cccnc1)c1ccc(F)cc1 c1cncc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)N[*:1])c1ccc(F)cc1
Cc1c(F)cccc1-n1nnc(C(=O)NCc2cccc(Cl)c2)c1-c1ccccn1 Clc1cccc(c1)C[*:1] Cc1c(F)cccc1-n1nnc(C(=O)N[*:1])c1-c1ccccn1
Cc1c(F)cccc1-n1nnc(C(=O)NCc2cccc(Cl)c2)c1-c1ccccn1 Clc1cccc(c1)[*:1] Cc1c(F)cccc1-n1nnc(C(=O)NC[*:1])c1-c1ccccn1
Cc1c(F)cccc1-n1nnc(C(=O)NCc2cccc(Cl)c2)c1-c1ccccn1 Cc1c(F)cccc1[*:1] O=C(NCc1cccc(Cl)c1)c1nnn(c1-c1ccccn1)[*:1]
Cc1c(F)cccc1-n1nnc(C(=O)NCc2cccc(Cl)c2)c1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(F)cccc1-n1nnc(C(=O)NCc2cccc(Cl)c2)c1[*:1]
CSc1c(C#N)c(NC(=O)[C@@H]2CCCO2)nn1-c1ccccc1 C1CO[C@@H](C1)[*:1] CSc1c(C#N)c(nn1-c1ccccc1)NC(=O)[*:1]
CSc1c(C#N)c(NC(=O)[C@@H]2CCCO2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CSc1c(C#N)c(nn1[*:1])NC(=O)[C@@H]1CCCO1
[NH3+][C@H](c1nnn[n-]1)c1ccccc1C1CC1 C1CC1[*:1] [NH3+][C@H](c1nnn[n-]1)c1ccccc1[*:1]
O=C(CSc1nnnn1C1CC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl O=S(=O)(N1CCCCC1)[*:1] O=C(CSc1nnnn1C1CC1)Nc1cc(ccc1Cl)[*:1]
O=C(CSc1nnnn1C1CC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl C1CC1n1nnnc1S[*:1] O=C(C[*:1])Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
O=C(CSc1nnnn1C1CC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl C1CC1n1nnnc1[*:1] O=C(CS[*:1])Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
O=C(CSc1nnnn1C1CC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl C1CC1[*:1] O=C(CSc1nnnn1[*:1])Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
COc1cccc(CNC(=O)C/C=C/c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)CC=C[*:1]
O=C(c1ccc(N2CC[NH+]([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)cc1)c1cccs1 c1csc(c1)[*:1] O=C1C[C@@H](C(=O)N1c1ccccc1)[NH+]1CCN(CC1)c1ccc(cc1)C(=O)[*:1]
O=C(c1ccc(N2CC[NH+]([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)cc1)c1cccs1 O=C(c1cccs1)[*:1] O=C1C[C@@H](C(=O)N1c1ccccc1)[NH+]1CCN(CC1)c1ccc(cc1)[*:1]
O=C(c1ccc(N2CC[NH+]([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)cc1)c1cccs1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)N1CC[NH+](CC1)[C@H]1CC(=O)N(C1=O)[*:1])c1cccs1
O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H]1CCOC1 C1C[C@@H](CO1)C[*:1] O=C(Cn1ccc(=O)[nH]c1=O)N[*:1]
O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] O=C(Cn1ccc(=O)[nH]c1=O)NC[*:1]
CC(=O)Nc1cccc(C(=O)Nc2c(C)cnn2[C@H](C)C2CC2)c1 CC(=O)N[*:1] Cc1cnn(c1NC(=O)c1cccc(c1)[*:1])[C@H](C)C1CC1
CC(=O)Nc1cccc(C(=O)Nc2c(C)cnn2[C@H](C)C2CC2)c1 C1CC1[*:1] CC(=O)Nc1cccc(c1)C(=O)Nc1c(C)cnn1[C@H](C)[*:1]
O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cc(Cl)ccc1O Oc1ccc(Cl)cc1[*:1] O=C(Nc1ccccc1NC(=O)[*:1])N1CCCC1
O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cc(Cl)ccc1O O=C(N[*:1])N1CCCC1 O=C(Nc1ccccc1[*:1])c1cc(Cl)ccc1O
CSc1nnc(CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)s1 CC(C)[*:1] CSc1nnc(CN2C(=O)NC3(CCC(CC3)[*:1])C2=O)s1
CSc1nnc(CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)s1 CSc1nnc(s1)[*:1] CC(C)C1CCC2(CC1)NC(=O)N(C[*:1])C2=O
CCOC(=O)[C@H](C)NC(=O)c1noc2c1COc1ccc(C)cc1-2 CCOC(=O)[C@H](C)[*:1] Cc1ccc2OCc3c(noc3-c2c1)C(=O)N[*:1]
CCOC(=O)[C@H](C)NC(=O)c1noc2c1COc1ccc(C)cc1-2 CCOC(=O)[*:1] Cc1ccc2OCc3c(noc3-c2c1)C(=O)N[C@@H](C)[*:1]
COc1c(F)cc(NC(=O)NCc2ccccc2Cl)cc1F Clc1ccccc1[*:1] COc1c(F)cc(cc1F)NC(=O)NC[*:1]
CCOc1ccc2[nH]c([C@H](C[NH3+])c3ccccc3)nc2n1 c1ccc(cc1)[*:1] CCOc1ccc2[nH]c(nc2n1)[C@H](C[NH3+])[*:1]
CCOc1ccc2[nH]c([C@H](C[NH3+])c3ccccc3)nc2n1 CCO[*:1] [NH3+]C[C@H](c1ccccc1)c1nc2nc(ccc2[nH]1)[*:1]
O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1C1=NCCS1 O=[N+]([O-])[*:1] O=C1c2ccc(cc2C(=O)N1C1=NCCS1)Oc1cccc(c1)[*:1]
CC[C@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1nccs1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)C[C@H](O)[*:1])c1nccs1
CC[C@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)[*:1]
COc1ccccc1-c1nnc2sc(CCc3c(C)nn(-c4ccccc4)c3C)nn12 c1ccc(cc1)[*:1] COc1ccccc1-c1nnc2sc(CCc3c(C)nn(c3C)[*:1])nn12
COc1ccccc1-c1nnc2sc(CCc3c(C)nn(-c4ccccc4)c3C)nn12 COc1ccccc1[*:1] Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(nnc2s1)[*:1]
O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)c(Cl)c1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCN(C1=O)[*:1])c1ccc(F)c(Cl)c1
COc1ccc(C2=NN=C3OC(=O)[C@H](CCO)C(C)=C32)cc1 OCC[*:1] COc1ccc(cc1)C1=NN=C2OC(=O)[C@H](C(C)=C21)[*:1]
CC(C)c1nc(NC(=O)NCc2csc(-c3ccccc3)n2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)NCc1csc(n1)-c1ccccc1)[*:1]
CC(C)c1nc(NC(=O)NCc2csc(-c3ccccc3)n2)n(C)n1 c1ccc(cc1)[*:1] CC(C)c1nc(NC(=O)NCc2csc(n2)[*:1])n(C)n1
O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ClC(Cl)(Cl)[*:1] O=C(N[C@H](N1CCOCC1)[*:1])c1ccc(Cl)cc1Cl
O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl C1CN(CCO1)[*:1] O=C(N[C@H](C(Cl)(Cl)Cl)[*:1])c1ccc(Cl)cc1Cl
CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 c1csc(c1)[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C(=O)[C@H](C)[*:1]
CC(=O)N[C@@H](C)C(=O)OCc1ccccc1Cl CC(=O)N[*:1] C[C@@H](C(=O)OCc1ccccc1Cl)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(Cl)cc1Cl CC[C@H](C)[*:1] C[C@H](NCc1ccc(Cl)cc1Cl)C(=O)N[*:1]
CCSCC[C@H](C)NC(=O)N1CCn2c(nnc2C(F)(F)F)C1 CCSC[*:1] C[C@@H](C[*:1])NC(=O)N1CCn2c(C1)nnc2C(F)(F)F
CCSCC[C@H](C)NC(=O)N1CCn2c(nnc2C(F)(F)F)C1 CCSCC[*:1] C[C@H](NC(=O)N1CCn2c(C1)nnc2C(F)(F)F)[*:1]
CCSCC[C@H](C)NC(=O)N1CCn2c(nnc2C(F)(F)F)C1 CCSCC[C@H](C)[*:1] O=C(N[*:1])N1CCn2c(C1)nnc2C(F)(F)F
CCSCC[C@H](C)NC(=O)N1CCn2c(nnc2C(F)(F)F)C1 CCS[*:1] C[C@@H](CC[*:1])NC(=O)N1CCn2c(C1)nnc2C(F)(F)F
CCSCC[C@H](C)NC(=O)N1CCn2c(nnc2C(F)(F)F)C1 FC(F)(F)[*:1] CCSCC[C@H](C)NC(=O)N1CCn2c(C1)nnc2[*:1]
C[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=S)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=S)NC(=O)[*:1]
Cc1ncc(CN(C)C(=O)c2cccc3[nH]ncc23)s1 Cc1ncc(s1)[*:1] CN(C[*:1])C(=O)c1cccc2[nH]ncc12
CCCNC(=O)C(=O)Nc1ccc(F)cc1Cl CCC[*:1] O=C(Nc1ccc(F)cc1Cl)C(=O)N[*:1]
Cc1cncc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 Cc1cncc(c1)[*:1] O=C(N1CC[C@H](C1)C[NH+]1CCCCC1)[*:1]
Cn1ncnc1NC(=O)NCc1nc(-c2ccccc2)cs1 Cn1ncnc1[*:1] O=C(NCc1nc(cs1)-c1ccccc1)N[*:1]
Cn1ncnc1NC(=O)NCc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] Cn1ncnc1NC(=O)NCc1nc(cs1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(Cl)nn1 Clc1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)Nc1ccc(Cl)nn1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(Cl)nn1 Clc1ccc(nn1)[*:1] Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[*:1]
FC(F)(F)c1csc([C@H]2CCCN(Cc3ccc(-n4cncn4)cc3)C2)n1 FC(F)(F)c1csc(n1)[*:1] c1ncn(n1)-c1ccc(cc1)CN1CCC[C@@H](C1)[*:1]
FC(F)(F)c1csc([C@H]2CCCN(Cc3ccc(-n4cncn4)cc3)C2)n1 c1ncn(n1)[*:1] FC(F)(F)c1csc(n1)[C@H]1CCCN(Cc2ccc(cc2)[*:1])C1
FC(F)(F)c1csc([C@H]2CCCN(Cc3ccc(-n4cncn4)cc3)C2)n1 FC(F)(F)[*:1] c1ncn(n1)-c1ccc(cc1)CN1CCC[C@@H](C1)c1nc(cs1)[*:1]
Cc1ccsc1[C@H]1OCCC[C@@H]1C[NH2+]C(C)(C)C CC(C)(C)[*:1] Cc1ccsc1[C@H]1OCCC[C@@H]1C[NH2+][*:1]
Cc1ccsc1[C@H]1OCCC[C@@H]1C[NH2+]C(C)(C)C Cc1ccsc1[*:1] CC(C)(C)[NH2+]C[C@H]1CCCO[C@@H]1[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2nc3c(nc2c1)[C@H]1CC[C@@H]3C1 Clc1ccc(cc1Cl)[*:1] O=C(N[*:1])c1ccc2nc3c(nc2c1)[C@H]1CC[C@@H]3C1
CCN(Cc1cc(=O)n(C)c(=O)n1C)[C@@H](C)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(Cc1cc(=O)n(C)c(=O)n1C)[C@@H](C)[*:1]
CCCC[C@@H](C(=O)[O-])[C@](C)(O)c1cccc(Br)c1 CCCC[*:1] C[C@@](O)(c1cccc(Br)c1)[C@H](C(=O)[O-])[*:1]
CCCC[C@@H](C(=O)[O-])[C@](C)(O)c1cccc(Br)c1 CCC[*:1] C[C@@](O)(c1cccc(Br)c1)[C@@H](C[*:1])C(=O)[O-]
CCCC[C@@H](C(=O)[O-])[C@](C)(O)c1cccc(Br)c1 O=C([O-])[*:1] CCCC[C@@H]([C@](C)(O)c1cccc(Br)c1)[*:1]
CC(C)c1noc(CCNC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n1 CC(C)c1noc(n1)[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccc(Cl)c(Cl)c1
CC(C)c1noc(CCNC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n1 CC(C)[*:1] C[C@@H](NC(=O)NCCc1nc(no1)[*:1])c1ccc(Cl)c(Cl)c1
CC(C)c1noc(CCNC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n1 Clc1ccc(cc1Cl)[*:1] CC(C)c1noc(CCNC(=O)N[C@H](C)[*:1])n1
C[C@@H](C(=O)N1CC[C@H](C(N)=O)c2ccccc21)c1ccc(Cl)s1 NC(=O)[*:1] C[C@@H](C(=O)N1CC[C@H](c2ccccc21)[*:1])c1ccc(Cl)s1
C[C@@H](C(=O)N1CC[C@H](C(N)=O)c2ccccc21)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](C(=O)N1CC[C@H](C(N)=O)c2ccccc21)[*:1]
Cc1noc(C)c1COC(=O)Cn1c(C(F)(F)F)nc2ccccc21 Cc1noc(C)c1C[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)O[*:1]
Cc1noc(C)c1COC(=O)Cn1c(C(F)(F)F)nc2ccccc21 Cc1noc(C)c1[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)OC[*:1]
Cc1noc(C)c1COC(=O)Cn1c(C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] Cc1noc(C)c1COC(=O)Cn1c(nc2ccccc21)[*:1]
CCN(CC)C(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)cc2C)CC1 CCN(CC)C(=O)[*:1] Cc1cc(F)ccc1NC(=O)C(=O)N1CCC(CC1)[*:1]
CCN(CC)C(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)cc2C)CC1 Cc1cc(F)ccc1[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)C(=O)N[*:1]
CC1CCN(C(=O)Nc2cnc(-c3ccccc3)s2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)Nc1cnc(s1)[*:1]
C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCCCC2)C1=O Clc1ccc(c(Cl)c1)[*:1] C[C@]1(NC(=O)N(CC(=O)N2CCCCC2)C1=O)[*:1]
C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCCCC2)C1=O O=C(N1CCCCC1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(Cl)cc1Cl
COC(=O)Cc1csc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1 CC(C)(C)[*:1] COC(=O)Cc1csc(n1)NC(=O)c1cc2C[C@@H](CCc2s1)[*:1]
COC(=O)Cc1csc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1 COC(=O)C[*:1] CC(C)(C)[C@H]1CCc2sc(cc2C1)C(=O)Nc1nc(cs1)[*:1]
COC(=O)Cc1csc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1 COC(=O)[*:1] CC(C)(C)[C@H]1CCc2sc(cc2C1)C(=O)Nc1nc(cs1)C[*:1]
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)n1nnc(N2CCOCC2)n1 Clc1ccc(cc1)[*:1] C[C@@H](C(=O)NNC(=O)[*:1])n1nnc(n1)N1CCOCC1
C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)n1nnc(N2CCOCC2)n1 C1CN(CCO1)[*:1] C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)n1nnc(n1)[*:1]
Cc1ccc(NC(=O)c2cnc([C@H]3CCCO3)s2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cnc(s1)[C@H]1CCCO1
CCn1nc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1C CCn1nc(cc1C)[*:1] Cc1ccc(-c2csc(n2)NC(=O)[*:1])c(C)c1
CCn1nc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1C Cc1ccc(c(C)c1)[*:1] CCn1nc(cc1C)C(=O)Nc1nc(cs1)[*:1]
Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)[C@H]2CCCCO2)CC1 Cc1ccccc1[*:1] O=C([C@H]1CCCCO1)N1CCC(CC1)(O[*:1])C(=O)[O-]
Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)[C@H]2CCCCO2)CC1 O=C([O-])[*:1] Cc1ccccc1OC1(CCN(CC1)C(=O)[C@H]1CCCCO1)[*:1]
Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)[C@H]2CCCCO2)CC1 Cc1ccccc1O[*:1] O=C([C@H]1CCCCO1)N1CCC(CC1)(C(=O)[O-])[*:1]
Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)[C@H]2CCCCO2)CC1 C1CC[C@@H](OC1)[*:1] Cc1ccccc1OC1(CCN(CC1)C(=O)[*:1])C(=O)[O-]
O=C(NCCc1ccc(-n2cccn2)cc1)Nc1ccc2c(c1)CCO2 c1cnn(c1)[*:1] O=C(NCCc1ccc(cc1)[*:1])Nc1ccc2OCCc2c1
Cn1c(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)nnc1-c1cccs1 c1csc(c1)[*:1] Cn1c(nnc1[*:1])SCc1nc2ccc(Cl)cc2c(=O)[nH]1
Cc1noc(C)c1[C@@H](C)NC(=O)CC[NH2+]C(C)C CC(C)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)CC[NH2+][*:1]
Cc1ccc([C@]2(C)NC(=O)N(Cc3cn4c(C)cccc4n3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cccc2nc(cn12)CN1C(=O)N[C@@](C)(C1=O)[*:1]
O=C(NCCn1nc(-c2cccs2)ccc1=O)c1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(NCCn1nc(ccc1=O)-c1cccs1)[*:1]
O=C(NCCn1nc(-c2cccs2)ccc1=O)c1ccc(I)cc1 c1csc(c1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])c1ccc(I)cc1
O=C(Nc1ccccc1C(F)(F)F)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1 c1cc2OCOc2cc1[*:1] O=C(Nc1ccccc1C(F)(F)F)C1(CC1)c1cc(on1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1 FC(F)(F)c1ccccc1[*:1] O=C(N[*:1])C1(CC1)c1cc(on1)-c1ccc2OCOc2c1
O=C(Nc1ccccc1C(F)(F)F)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])C1(CC1)c1cc(on1)-c1ccc2OCOc2c1
COc1ccc(C)cc1CCNC(=O)Cc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(C)cc1CCNC(=O)Cc1ccc(cc1)[*:1]
CCOCC(=O)NNC(=O)Cc1ccc(F)c(Br)c1 CCO[*:1] O=C(Cc1ccc(F)c(Br)c1)NNC(=O)C[*:1]
CCOCC(=O)NNC(=O)Cc1ccc(F)c(Br)c1 CCOC[*:1] O=C(Cc1ccc(F)c(Br)c1)NNC(=O)[*:1]
O=C(Nc1ccccc1)c1csc(Nc2ncccn2)n1 c1ccc(cc1)[*:1] O=C(N[*:1])c1csc(n1)Nc1ncccn1
O=C(Nc1ccccc1)c1csc(Nc2ncccn2)n1 c1cnc(nc1)N[*:1] O=C(Nc1ccccc1)c1csc(n1)[*:1]
O=C(Nc1ccccc1)c1csc(Nc2ncccn2)n1 c1cnc(nc1)[*:1] O=C(Nc1ccccc1)c1csc(n1)N[*:1]
CC(C)[C@@H](C#N)N1CCN(CCOC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] CC(C)[C@@H](C#N)N1CCN(CCO[*:1])CC1
CC(C)[C@@H](C#N)N1CCN(CCOC[C@@H]2CCCO2)CC1 CC(C)[C@@H](C#N)[*:1] C1CO[C@@H](C1)COCCN1CCN(CC1)[*:1]
CC(C)[C@@H](C#N)N1CCN(CCOC[C@@H]2CCCO2)CC1 CC(C)[*:1] N#C[C@@H](N1CCN(CCOC[C@@H]2CCCO2)CC1)[*:1]
CC(C)[C@@H](C#N)N1CCN(CCOC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)CO[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)CC[*:1]
CC(C)[C@@H](C#N)N1CCN(CCOC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] CC(C)[C@@H](C#N)N1CCN(CCOC[*:1])CC1
CSC1(CNC(=O)N[C@H](C)[C@H](C)CO)CCOCC1 C[C@H](CO)[*:1] CSC1(CCOCC1)CNC(=O)N[C@H](C)[*:1]
CSC1(CNC(=O)N[C@H](C)[C@H](C)CO)CCOCC1 C[C@H](CO)[C@@H](C)[*:1] CSC1(CCOCC1)CNC(=O)N[*:1]
COc1cccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)c1 O=S(=O)(c1cccs1)[*:1] COc1cccc(c1)CCN[C@H]1CS(=O)(=O)C[C@H]1[*:1]
COc1cccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)c1 c1csc(c1)[*:1] COc1cccc(c1)CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[*:1]
COc1cccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)c1 COc1cccc(c1)[*:1] O=S1(=O)C[C@H](NCC[*:1])[C@H](C1)S(=O)(=O)c1cccs1
O=C(N[C@H]1CCCc2ccccc21)N(CCCCO)C1CC1 OCC[*:1] O=C(N[C@H]1CCCc2ccccc21)N(CC[*:1])C1CC1
O=C(N[C@H]1CCCc2ccccc21)N(CCCCO)C1CC1 OCCCC[*:1] O=C(N[C@H]1CCCc2ccccc21)N(C1CC1)[*:1]
O=C(N[C@H]1CCCc2ccccc21)N(CCCCO)C1CC1 OCCC[*:1] O=C(N[C@H]1CCCc2ccccc21)N(C[*:1])C1CC1
O=C(N[C@H]1CCCc2ccccc21)N(CCCCO)C1CC1 C1CC1[*:1] O=C(N[C@H]1CCCc2ccccc21)N(CCCCO)[*:1]
O=C1CCN([C@@H]2CCCOC2)C(=O)[C@@H]2CCCCN12 C1COC[C@@H](C1)[*:1] O=C1CCN(C(=O)[C@@H]2CCCCN12)[*:1]
Cc1ncoc1C(=O)N1CCc2c(c(C(=O)N(C)Cc3cscn3)nn2Cc2ccccc2)C1 CN(Cc1cscn1)C(=O)[*:1] Cc1ncoc1C(=O)N1CCc2c(C1)c(nn2Cc1ccccc1)[*:1]
Cc1ncoc1C(=O)N1CCc2c(c(C(=O)N(C)Cc3cscn3)nn2Cc2ccccc2)C1 Cc1ncoc1[*:1] CN(Cc1cscn1)C(=O)c1nn(Cc2ccccc2)c2CCN(Cc12)C(=O)[*:1]
Cc1ncoc1C(=O)N1CCc2c(c(C(=O)N(C)Cc3cscn3)nn2Cc2ccccc2)C1 c1nc(cs1)C[*:1] Cc1ncoc1C(=O)N1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)N(C)[*:1]
Cc1ncoc1C(=O)N1CCc2c(c(C(=O)N(C)Cc3cscn3)nn2Cc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ncoc1C(=O)N1CCc2c(C1)c(nn2C[*:1])C(=O)N(C)Cc1cscn1
Cc1ncoc1C(=O)N1CCc2c(c(C(=O)N(C)Cc3cscn3)nn2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] Cc1ncoc1C(=O)N1CCc2c(C1)c(nn2[*:1])C(=O)N(C)Cc1cscn1
Cc1ncoc1C(=O)N1CCc2c(c(C(=O)N(C)Cc3cscn3)nn2Cc2ccccc2)C1 c1nc(cs1)[*:1] Cc1ncoc1C(=O)N1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)N(C)C[*:1]
Cc1ccc(CNc2c3c(nc4nc(-c5ccco5)nn24)CCC3)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CNc1c2CCCc2nc2nc(nn12)[*:1]
Cc1ccc(CNc2c3c(nc4nc(-c5ccco5)nn24)CCC3)cc1 Cc1ccc(cc1)[*:1] c1coc(c1)-c1nc2nc3CCCc3c(NC[*:1])n2n1
Cc1ccc(CNc2c3c(nc4nc(-c5ccco5)nn24)CCC3)cc1 Cc1ccc(cc1)C[*:1] c1coc(c1)-c1nc2nc3CCCc3c(N[*:1])n2n1
C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1[*:1]
NS(=O)(=O)Cc1cccc(CNc2ncccc2[N+](=O)[O-])c1 NS(=O)(=O)[*:1] O=[N+]([O-])c1cccnc1NCc1cccc(c1)C[*:1]
NS(=O)(=O)Cc1cccc(CNc2ncccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] NS(=O)(=O)Cc1cccc(c1)CNc1ncccc1[*:1]
NS(=O)(=O)Cc1cccc(CNc2ncccc2[N+](=O)[O-])c1 NS(=O)(=O)C[*:1] O=[N+]([O-])c1cccnc1NCc1cccc(c1)[*:1]
[NH3+]Cc1n[nH]c2cccc(C(F)(F)F)c12 FC(F)(F)[*:1] [NH3+]Cc1n[nH]c2cccc(c12)[*:1]
O=C(CCc1ccc2c(c1)OCCO2)N[C@H](c1ccccc1)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] O=C(CCc1ccc2OCCOc2c1)N[C@H](c1ccccc1)[*:1]
O=C(CCc1ccc2c(c1)OCCO2)N[C@H](c1ccccc1)c1cc2ccccc2o1 c1cc2OCCOc2cc1[*:1] O=C(CC[*:1])N[C@H](c1ccccc1)c1cc2ccccc2o1
O=C(CCc1ccc2c(c1)OCCO2)N[C@H](c1ccccc1)c1cc2ccccc2o1 c1ccc(cc1)[*:1] O=C(CCc1ccc2OCCOc2c1)N[C@H](c1cc2ccccc2o1)[*:1]
Cc1c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cnn1-c1ccccc1 O=[N+]([O-])[*:1] Cc1c(cnn1-c1ccccc1)C(=O)Nc1cc(c(F)cc1F)[*:1]
Cc1c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cc(c(F)cc1F)[N+](=O)[O-]
Cc1noc(-c2cccn3c(=O)n(C[C@H]4CCCO4)nc23)n1 C1CO[C@H](C1)[*:1] Cc1noc(n1)-c1cccn2c(=O)n(C[*:1])nc12
Cc1noc(-c2cccn3c(=O)n(C[C@H]4CCCO4)nc23)n1 C1CO[C@H](C1)C[*:1] Cc1noc(n1)-c1cccn2c(=O)n(nc12)[*:1]
Cc1noc(-c2cccn3c(=O)n(C[C@H]4CCCO4)nc23)n1 Cc1noc(n1)[*:1] O=c1n(C[C@H]2CCCO2)nc2c(cccn12)[*:1]
CC(C)Cc1ncc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)s1 CC(C)[*:1] c1nc(C[*:1])sc1CN1CCC[C@H](C1)c1nnc2CCCn21
CC(C)Cc1ncc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)s1 C1Cc2nnc(n2C1)[*:1] CC(C)Cc1ncc(CN2CCC[C@@H](C2)[*:1])s1
CC(C)Cc1ncc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)s1 CC(C)C[*:1] c1nc(sc1CN1CCC[C@H](C1)c1nnc2CCCn21)[*:1]
CC[C@@H](C)CC(=O)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 c1cc(ccn1)[*:1] CC[C@@H](C)CC(=O)NC[C@H]1Cc2cccc(c2O1)[*:1]
CC[C@@H](C)CC(=O)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 CC[C@@H](C)C[*:1] O=C(NC[C@H]1Cc2cccc(-c3ccncc3)c2O1)[*:1]
CC[C@@H](C)CC(=O)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 CC[C@@H](C)[*:1] O=C(C[*:1])NC[C@H]1Cc2cccc(-c3ccncc3)c2O1
CC[C@@H](C)CC(=O)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 CC[C@@H](C)CC(=O)N[*:1] c1cc2C[C@H](C[*:1])Oc2c(c1)-c1ccncc1
CCOc1ccc(F)c(C(=O)N(C)Cc2nc3ccccc3o2)c1F CCO[*:1] CN(Cc1nc2ccccc2o1)C(=O)c1c(F)ccc(c1F)[*:1]
O=C([O-])c1cccc(Nc2cc[nH+]c3ccc(F)cc23)c1 O=C([O-])[*:1] Fc1ccc2[nH+]ccc(Nc3cccc(c3)[*:1])c2c1
Cc1ccc(/C=C/C(=O)N(C2CCCC2)C2CC2)cc1 C1CCC(C1)[*:1] Cc1ccc(/C=C/C(=O)N(C2CC2)[*:1])cc1
Cc1ccc(/C=C/C(=O)N(C2CCCC2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(/C=C/C(=O)N(C2CCCC2)[*:1])cc1
O=C(Nc1ccc(Cl)cc1)N[C@@H]1c2ccccc2C[C@@H]1O Clc1ccc(cc1)[*:1] O=C(N[C@@H]1c2ccccc2C[C@@H]1O)N[*:1]
O=c1cc(-c2ccccc2)c2ccc(O[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)cc2o1 c1ccc(cc1)[*:1] O=c1cc(c2ccc(cc2o1)O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)[*:1]
COc1ccc2ccc(OC)c(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2c1 Brc1ccc(cc1)[*:1] COc1ccc2ccc(OC)c(/C=C3/NC(=O)N(C[*:1])C3=O)c2c1
COc1ccc2ccc(OC)c(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2c1 Brc1ccc(cc1)C[*:1] COc1ccc2ccc(OC)c(/C=C3/NC(=O)N(C3=O)[*:1])c2c1
COC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1OC)CC2 COc1ccccc1[*:1] COC(=O)Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1]
COC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1OC)CC2 COC(=O)N[*:1] COc1ccccc1S(=O)(=O)N1CCc2nc(sc2C1)[*:1]
CC[C@H](NC(=O)NCC1(C(=O)N(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 CN(C)C(=O)[*:1] CC[C@H](NC(=O)NCC1(CCCC1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)NCC1(C(=O)N(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC[C@H](NC(=O)NCC1(CCCC1)C(=O)N(C)C)[*:1]
CC[C@H](NC(=O)NCC1(C(=O)N(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)NCC1(CCCC1)C(=O)N(C)C)c1cccc(c1)[*:1]
C[NH2+][C@H](C)c1cccc(-n2cncn2)c1 c1ncn(n1)[*:1] C[NH2+][C@H](C)c1cccc(c1)[*:1]
CCCCN1C(=O)c2ccccc2[C@@H]1Nc1ccccc1[N+](=O)[O-] CCC[*:1] O=C1c2ccccc2[C@H](Nc2ccccc2[N+](=O)[O-])N1C[*:1]
CCCCN1C(=O)c2ccccc2[C@@H]1Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCCN1C(=O)c2ccccc2[C@@H]1Nc1ccccc1[*:1]
CCCCN1C(=O)c2ccccc2[C@@H]1Nc1ccccc1[N+](=O)[O-] CCCC[*:1] O=C1c2ccccc2[C@H](Nc2ccccc2[N+](=O)[O-])N1[*:1]
CC(C)n1cnc2nc(CSc3ccc(NC(=O)C4CCCCC4)cc3)cc(=O)n21 CC(C)[*:1] O=C(Nc1ccc(cc1)SCc1cc(=O)n2c(ncn2[*:1])n1)C1CCCCC1
CC(C)n1cnc2nc(CSc3ccc(NC(=O)C4CCCCC4)cc3)cc(=O)n21 O=C(N[*:1])C1CCCCC1 CC(C)n1cnc2nc(cc(=O)n21)CSc1ccc(cc1)[*:1]
CC(C)n1cnc2nc(CSc3ccc(NC(=O)C4CCCCC4)cc3)cc(=O)n21 C1CCC(CC1)[*:1] CC(C)n1cnc2nc(cc(=O)n21)CSc1ccc(cc1)NC(=O)[*:1]
CO[C@@H](C)c1nc2c(s1)[C@H]([NH3+])CC(C)(C)C2 CO[C@@H](C)[*:1] CC1(C)Cc2nc(sc2[C@H]([NH3+])C1)[*:1]
CC(=O)Nc1ccc([C@@H]2C3=C(NC4=NC(=O)NC(=O)[C@@H]42)C(=O)CC(C)(C)C3)cc1 CC(=O)N[*:1] CC1(C)CC(=O)C2NC3=NC(=O)NC(=O)[C@@H]3[C@@H](C=2C1)c1ccc(cc1)[*:1]
[O-]c1nc(CSC2CCCC2)nc2c(Br)cc(Br)cc12 C1CCC(C1)S[*:1] [O-]c1nc(C[*:1])nc2c(Br)cc(Br)cc12
[O-]c1nc(CSC2CCCC2)nc2c(Br)cc(Br)cc12 C1CCC(C1)[*:1] [O-]c1nc(CS[*:1])nc2c(Br)cc(Br)cc12
CCOc1cc(/C=C(/F)C(=O)[O-])ccc1O O=C([O-])[*:1] CCOc1cc(/C=C(/F)[*:1])ccc1O
CCOc1cc(/C=C(/F)C(=O)[O-])ccc1O CCO[*:1] O=C([O-])/C(F)=C\c1ccc(O)c(c1)[*:1]
C[C@H](OC(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCOC1 c1ccc(cc1)[*:1] C[C@H](OC(=O)c1cnn(c1)C[*:1])[C@H]1CCOC1
C[C@H](OC(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCOC1 c1ccc(cc1)C[*:1] C[C@H](OC(=O)c1cnn(c1)[*:1])[C@H]1CCOC1
CCCOc1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C([O-])C(=O)N2C)cc1OC Cc1nn(C)c(C)c1[*:1] CCCOc1ccc(cc1OC)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C
CCCOc1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C([O-])C(=O)N2C)cc1OC CCCO[*:1] COc1cc(ccc1[*:1])[C@H]1C(C(=O)c2c(C)nn(C)c2C)=C([O-])C(=O)N1C
CCCOc1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C([O-])C(=O)N2C)cc1OC CCC[*:1] COc1cc(ccc1O[*:1])[C@H]1C(C(=O)c2c(C)nn(C)c2C)=C([O-])C(=O)N1C
CCCOc1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C([O-])C(=O)N2C)cc1OC Cc1nn(C)c(C)c1C(=O)[*:1] CCCOc1ccc(cc1OC)[C@H]1C(=C([O-])C(=O)N1C)[*:1]
COC(=O)C[C@@H](NC(=O)c1cc(C2CC2)on1)c1cccc(Cl)c1 COC(=O)C[*:1] O=C(N[C@@H](c1cccc(Cl)c1)[*:1])c1cc(on1)C1CC1
COC(=O)C[C@@H](NC(=O)c1cc(C2CC2)on1)c1cccc(Cl)c1 COC(=O)[*:1] O=C(N[C@H](C[*:1])c1cccc(Cl)c1)c1cc(on1)C1CC1
COC(=O)C[C@@H](NC(=O)c1cc(C2CC2)on1)c1cccc(Cl)c1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)c1cc(on1)[*:1])c1cccc(Cl)c1
COC(=O)C[C@@H](NC(=O)c1cc(C2CC2)on1)c1cccc(Cl)c1 c1c(noc1C1CC1)[*:1] COC(=O)C[C@@H](NC(=O)[*:1])c1cccc(Cl)c1
COC(=O)C[C@@H](NC(=O)c1cc(C2CC2)on1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)C[C@@H](NC(=O)c1cc(on1)C1CC1)[*:1]
CCOc1ccc([C@H]([NH3+])c2n[nH]c(-c3ccc(I)cc3)n2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])[C@H]([NH3+])c1n[nH]c(n1)-c1ccc(I)cc1
CCOc1ccc([C@H]([NH3+])c2n[nH]c(-c3ccc(I)cc3)n2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])[C@H]([NH3+])c1n[nH]c(n1)-c1ccc(I)cc1
CCOc1ccc([C@H]([NH3+])c2n[nH]c(-c3ccc(I)cc3)n2)cc1OCC Ic1ccc(cc1)[*:1] CCOc1ccc(cc1OCC)[C@H]([NH3+])c1n[nH]c(n1)[*:1]
CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC=CCC2)cc1Cl CCC[*:1] O=C(Nc1ccc(C(=O)N[*:1])c(Cl)c1)C(=O)N[C@H]1CC=CCC1
CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC=CCC2)cc1Cl CCCNC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])C(=O)N[C@H]1CC=CCC1
O=C(NCC(C1CC1)C1CC1)c1ccc(Cn2ccccc2=O)o1 C1CC1C(C[*:1])C1CC1 O=C(N[*:1])c1ccc(Cn2ccccc2=O)o1
O=C(NCC(C1CC1)C1CC1)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1[*:1] O=C(NCC(C1CC1)C1CC1)c1ccc(C[*:1])o1
O=C(NCC(C1CC1)C1CC1)c1ccc(Cn2ccccc2=O)o1 C1CC1C(C1CC1)[*:1] O=C(NC[*:1])c1ccc(Cn2ccccc2=O)o1
O=C(NCC(C1CC1)C1CC1)c1ccc(Cn2ccccc2=O)o1 C1CC1[*:1] O=C(NCC(C1CC1)[*:1])c1ccc(Cn2ccccc2=O)o1
O=C(NCC(C1CC1)C1CC1)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1C[*:1] O=C(NCC(C1CC1)C1CC1)c1ccc(o1)[*:1]
COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccc(F)c(Cl)c3)C2)c1 COc1cccc(c1)C[*:1] C[C@@]1(CCCN(C1)C(=O)Nc1ccc(F)c(Cl)c1)C(=O)N[*:1]
COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccc(F)c(Cl)c3)C2)c1 COc1cccc(c1)[*:1] C[C@@]1(CCCN(C1)C(=O)Nc1ccc(F)c(Cl)c1)C(=O)NC[*:1]
COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccc(F)c(Cl)c3)C2)c1 Fc1ccc(cc1Cl)[*:1] COc1cccc(c1)CNC(=O)[C@@]1(C)CCCN(C1)C(=O)N[*:1]
C[C@H]([NH2+][C@H](C)c1cccc([N-]S(C)(=O)=O)c1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H]([NH2+][C@H](C)c1cccc(c1)[N-]S(C)(=O)=O)[*:1]
CC[NH2+][C@H](Cc1ccccn1)[C@@](C)(CC)[NH+]1CCCC1 c1ccc(nc1)[*:1] CC[NH2+][C@H](C[*:1])[C@@](C)(CC)[NH+]1CCCC1
O=C(c1cscn1)N(Cc1cccs1)C12CC3CC(CC(C3)C1)C2 c1csc(c1)C[*:1] O=C(c1cscn1)N(C12CC3CC(CC(C3)C1)C2)[*:1]
O=C(c1cscn1)N(Cc1cccs1)C12CC3CC(CC(C3)C1)C2 c1csc(c1)[*:1] O=C(c1cscn1)N(C[*:1])C12CC3CC(CC(C3)C1)C2
O=C(c1cscn1)N(Cc1cccs1)C12CC3CC(CC(C3)C1)C2 c1nc(cs1)[*:1] O=C(N(Cc1cccs1)C12CC3CC(CC(C3)C1)C2)[*:1]
CC[C@](C)(NC(=O)c1c(C)oc(C)c1C)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)c1c(C)oc(C)c1C)[*:1]
O=C(Cn1nnc2ccccc21)Nc1nc(-c2ccc3c(c2)CCC3)cs1 c1ccc2c(c1)nnn2[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc2CCCc2c1
O=C(Cn1nnc2ccccc21)Nc1nc(-c2ccc3c(c2)CCC3)cs1 c1cc2CCCc2cc1[*:1] O=C(Cn1nnc2ccccc21)Nc1nc(cs1)[*:1]
CCN(C(=O)Nc1ccc(C)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)Nc1ccc(C)cc1)[*:1]
CCc1ccc(C2=CCN(C(=O)CCc3nnc(C(C)C)o3)CC2)cc1 CCc1ccc(cc1)[*:1] CC(C)c1nnc(CCC(=O)N2CC=C(CC2)[*:1])o1
CCc1ccc(C2=CCN(C(=O)CCc3nnc(C(C)C)o3)CC2)cc1 CC(C)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)CCc1nnc(o1)[*:1]
CCc1ccc(C2=CCN(C(=O)CCc3nnc(C(C)C)o3)CC2)cc1 CC(C)c1nnc(o1)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)CC[*:1]
CCCc1cc(NC(=O)C(=O)N[C@H](C)c2cc(C)c(CC)s2)n(C)n1 CCc1sc(cc1C)[*:1] CCCc1cc(NC(=O)C(=O)N[C@H](C)[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N[C@H](C)c2cc(C)c(CC)s2)n(C)n1 CCC[*:1] CCc1sc(cc1C)[C@@H](C)NC(=O)C(=O)Nc1cc(nn1C)[*:1]
O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(COc1ccc(Cl)cc1)Nc1cccc(c1)C(=O)N[*:1]
O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccccc2)c1 Clc1ccc(cc1)OC[*:1] O=C(NCc1ccccc1)c1cccc(c1)NC(=O)[*:1]
O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccccc2)c1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1cccc(c1)C(=O)NCc1ccccc1
O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)Nc1cccc(c1)C(=O)NC[*:1]
O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccccc2)c1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)NCc1ccccc1
CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 CCCC[*:1] CC1NC(=O)N[C@H](C=1C(=O)O[*:1])c1ccc(cc1)[N+](=O)[O-]
CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(cc1)[*:1]
CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 CCCCOC(=O)[*:1] CC1NC(=O)N[C@H](C=1[*:1])c1ccc(cc1)[N+](=O)[O-]
CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 CCC[*:1] CC1NC(=O)N[C@H](C=1C(=O)OC[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C([O-])c1sc(Nc2ccccn2)nc1-c1ccccc1 O=C([O-])[*:1] c1ccc(cc1)-c1nc(Nc2ccccn2)sc1[*:1]
O=C([O-])c1sc(Nc2ccccn2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1sc(nc1[*:1])Nc1ccccn1
O=C([O-])c1sc(Nc2ccccn2)nc1-c1ccccc1 c1ccc(nc1)N[*:1] O=C([O-])c1sc(nc1-c1ccccc1)[*:1]
O=C([O-])c1sc(Nc2ccccn2)nc1-c1ccccc1 c1ccc(nc1)[*:1] O=C([O-])c1sc(nc1-c1ccccc1)N[*:1]
COC(=O)c1sccc1-n1cc(C#N)c(=O)n(Cc2ccccc2)c1=O COC(=O)[*:1] N#Cc1cn(-c2ccsc2[*:1])c(=O)n(Cc2ccccc2)c1=O
COC(=O)c1sccc1-n1cc(C#N)c(=O)n(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] COC(=O)c1sccc1-n1cc(C#N)c(=O)n(c1=O)[*:1]
COC(=O)c1sccc1-n1cc(C#N)c(=O)n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] COC(=O)c1sccc1-n1cc(C#N)c(=O)n(C[*:1])c1=O
Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1C Clc1ccc(nc1)N[*:1] Cc1ccc(cc1C)Nc1ncnc(c1N)[*:1]
Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1C Clc1ccc(nc1)[*:1] Cc1ccc(cc1C)Nc1ncnc(N[*:1])c1N
Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1C Cc1ccc(cc1C)[*:1] Nc1c(ncnc1N[*:1])Nc1ccc(Cl)cn1
Cc1cc(C(=O)N[C@H]2CCCNC2=O)sc1C#CCN NCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N[C@H]1CCCNC1=O
COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C)C1 COc1ccccc1[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C1)[*:1]
COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C)C1 Cc1ccc(Cl)cc1[*:1] COc1ccccc1[C@@H]1CCN(C1)S(=O)(=O)[*:1]
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccccc1C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccccc1[*:1]
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccccc1C(=O)Nc1nccs1 c1csc(n1)[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccccc1C(=O)N[*:1]
CCCCC[C@]1(O)CS[C@H](C)C1 CCC[*:1] C[C@@H]1C[C@](O)(CC[*:1])CS1
CCCCC[C@]1(O)CS[C@H](C)C1 CCCC[*:1] C[C@@H]1C[C@@](O)(CS1)C[*:1]
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](C1CCCCC1)SCC(O)=N2 O=S1(=O)CC[C@H](C1)[*:1] Cc1nn(c2N=C(O)CS[C@@H](c12)C1CCCCC1)[*:1]
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](C1CCCCC1)SCC(O)=N2 C1CCC(CC1)[*:1] Cc1nn(c2N=C(O)CS[C@H](c12)[*:1])[C@@H]1CCS(=O)(=O)C1
COC(=O)[C@@H](NC(=O)[C@@H]1CCO[C@@H]1C)C(C)C COC(=O)[*:1] CC(C)[C@H](NC(=O)[C@@H]1CCO[C@@H]1C)[*:1]
COC(=O)[C@@H](NC(=O)[C@@H]1CCO[C@@H]1C)C(C)C CC(C)[*:1] COC(=O)[C@@H](NC(=O)[C@@H]1CCO[C@@H]1C)[*:1]
CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(C)C)no1 CC(C)c1cc(on1)[*:1] CCOc1ccc(cc1NC(=O)[*:1])C(F)(F)F
CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(C)C)no1 FC(F)(F)[*:1] CCOc1ccc(cc1NC(=O)c1cc(no1)C(C)C)[*:1]
CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(C)C)no1 CCO[*:1] CC(C)c1cc(on1)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(C)C)no1 CC(C)[*:1] CCOc1ccc(cc1NC(=O)c1cc(no1)[*:1])C(F)(F)F
O=C(NCc1cnn(Cc2ccccc2)c1)c1csc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(NCc1cnn(c1)C[*:1])c1csc(c1)[N+](=O)[O-]
O=C(NCc1cnn(Cc2ccccc2)c1)c1csc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)c1csc(c1)[*:1]
O=C(NCc1cnn(Cc2ccccc2)c1)c1csc([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] O=C(NCc1cnn(c1)[*:1])c1csc(c1)[N+](=O)[O-]
O=C(NCc1cnn(Cc2ccccc2)c1)c1csc([N+](=O)[O-])c1 O=[N+]([O-])c1cc(cs1)[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)[*:1]
CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccccc3Cl)c(C)cc2NC1=O Clc1ccccc1C[*:1] CC[C@@H]1Oc2cc(c(C)cc2NC1=O)S(=O)(=O)N(C)CC(=O)N[*:1]
CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccccc3Cl)c(C)cc2NC1=O Clc1ccccc1[*:1] CC[C@@H]1Oc2cc(c(C)cc2NC1=O)S(=O)(=O)N(C)CC(=O)NC[*:1]
C[C@@H](CN/C(N)=[NH+]/Cc1ccco1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CN/C(N)=[NH+]/Cc1ccco1)O[*:1]
C[C@@H](CN/C(N)=[NH+]/Cc1ccco1)Oc1ccccc1 c1coc(c1)C[*:1] C[C@@H](CNC(N)=[NH+][*:1])Oc1ccccc1
C[C@@H](CN/C(N)=[NH+]/Cc1ccco1)Oc1ccccc1 c1coc(c1)[*:1] C[C@@H](CN/C(N)=[NH+]/C[*:1])Oc1ccccc1
COc1ccc(-n2cc(CNC(=O)c3nc4nccc(C)n4n3)nn2)cc1 COc1ccc(cc1)[*:1] Cc1ccnc2nc(nn12)C(=O)NCc1cn(nn1)[*:1]
COCCC1(C(=O)N(C)C[C@@H]2CCCCO2)CCC1 COCC[*:1] CN(C[C@@H]1CCCCO1)C(=O)C1(CCC1)[*:1]
COCCC1(C(=O)N(C)C[C@@H]2CCCCO2)CCC1 COC[*:1] CN(C[C@@H]1CCCCO1)C(=O)C1(CCC1)C[*:1]
COCCC1(C(=O)N(C)C[C@@H]2CCCCO2)CCC1 C1CC[C@H](OC1)[*:1] COCCC1(CCC1)C(=O)N(C)C[*:1]
CSCC[C@H](C)N(C)C(=O)NCCC(=O)N(C)C CSCC[C@H](C)[*:1] CN(C)C(=O)CCNC(=O)N(C)[*:1]
CSCC[C@H](C)N(C)C(=O)NCCC(=O)N(C)C CSC[*:1] C[C@@H](C[*:1])N(C)C(=O)NCCC(=O)N(C)C
CSCC[C@H](C)N(C)C(=O)NCCC(=O)N(C)C CSCC[*:1] C[C@H](N(C)C(=O)NCCC(=O)N(C)C)[*:1]
CSCC[C@H](C)N(C)C(=O)NCCC(=O)N(C)C CN(C)C(=O)[*:1] CSCC[C@H](C)N(C)C(=O)NCC[*:1]
CSCC[C@H](C)N(C)C(=O)NCCC(=O)N(C)C CN(C)C(=O)C[*:1] CSCC[C@H](C)N(C)C(=O)NC[*:1]
COC(=O)c1cccc(OC(=O)c2cc3ccccc3oc2=O)c1 COC(=O)[*:1] O=C(Oc1cccc(c1)[*:1])c1cc2ccccc2oc1=O
O=C(CSCc1cc(=O)n2ccsc2n1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSCc1cc(=O)n2ccsc2n1)O[*:1]
COc1ccc(C(=O)NCCN2CCN(C(=O)C(C)(C)CCl)CC2)cc1 CC(C)(CCl)[*:1] COc1ccc(cc1)C(=O)NCCN1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)NCCN2CCN(C(=O)C(C)(C)CCl)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)(CCl)C(=O)N1CCN(CCNC(=O)[*:1])CC1
COc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)N[C@@H]1CCCN(C[*:1])C1=O
COc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
CCc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1 c1nc(cs1)[*:1] CCc1ncc(cn1)C[NH+]1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
CCc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1 CCc1ncc(cn1)[*:1] O=C(Nc1cccc(c1)-c1cscn1)C1CC[NH+](CC1)C[*:1]
O=C(Cc1cn2ccsc2n1)N[C@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cn2ccsc2n1)N[C@H]1CCC[C@H]1C[*:1]
O=C(Cc1cn2ccsc2n1)N[C@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1cn2ccsc2n1)N[C@H]1CCC[C@@H]1[*:1]
O=C(Cc1cn2ccsc2n1)N[C@H]1CCC[C@H]1Cc1ccccc1 c1cn2cc(nc2s1)[*:1] O=C(C[*:1])N[C@H]1CCC[C@H]1Cc1ccccc1
CCC[NH2+][C@H](c1cncc(Br)c1)[C@@H]1CC[C@H](C)[C@H](C)C1 CCC[*:1] C[C@H]1CC[C@H](C[C@H]1C)[C@H]([NH2+][*:1])c1cncc(Br)c1
CCCOc1cc(C)ccc1NC(=O)N(CC(F)F)C1CC1 CCCO[*:1] Cc1ccc(NC(=O)N(CC(F)F)C2CC2)c(c1)[*:1]
CCCOc1cc(C)ccc1NC(=O)N(CC(F)F)C1CC1 FC(F)[*:1] CCCOc1cc(C)ccc1NC(=O)N(C[*:1])C1CC1
CCCOc1cc(C)ccc1NC(=O)N(CC(F)F)C1CC1 C1CC1[*:1] CCCOc1cc(C)ccc1NC(=O)N(CC(F)F)[*:1]
CCCOc1cc(C)ccc1NC(=O)N(CC(F)F)C1CC1 CCC[*:1] Cc1ccc(NC(=O)N(CC(F)F)C2CC2)c(c1)O[*:1]
CCCOc1cc(C)ccc1NC(=O)N(CC(F)F)C1CC1 FC(F)C[*:1] CCCOc1cc(C)ccc1NC(=O)N(C1CC1)[*:1]
COc1ccc(-c2nc(NC(=O)[C@H]3CCCCN3C(=O)c3cccs3)sc2C)cc1 c1csc(c1)[*:1] COc1ccc(cc1)-c1nc(NC(=O)[C@H]2CCCCN2C(=O)[*:1])sc1C
COc1ccc(-c2nc(NC(=O)[C@H]3CCCCN3C(=O)c3cccs3)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)[C@H]1CCCCN1C(=O)c1cccs1
CC[C@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1c(C)nn(C)c1C Cc1cccc(c1)[*:1] CC[C@H]([NH2+]C[C@@H](O)[*:1])c1c(C)nn(C)c1C
O=C(CNC(=O)c1ccccc1Br)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccccc1Br)Nc1ccc(cc1)OC[*:1]
O=C(CNC(=O)c1ccccc1Br)Nc1ccc(OCc2ccccc2)cc1 Brc1ccccc1[*:1] O=C(CNC(=O)[*:1])Nc1ccc(cc1)OCc1ccccc1
O=C(CNC(=O)c1ccccc1Br)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] O=C(CNC(=O)c1ccccc1Br)Nc1ccc(cc1)[*:1]
O=C(CNC(=O)c1ccccc1Br)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)c1ccccc1Br)Nc1ccc(cc1)O[*:1]
CCCc1cc(NC(=O)CCc2nc(C(C)(C)C)no2)n(C)n1 CC(C)(C)[*:1] CCCc1cc(NC(=O)CCc2nc(no2)[*:1])n(C)n1
CCCc1cc(NC(=O)CCc2nc(C(C)(C)C)no2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)CCc1nc(no1)C(C)(C)C)[*:1]
C[NH+]1CCN(Cc2ccc(CNC(=O)CCc3ccc4c(c3)OCO4)cc2)CC1 c1cc2OCOc2cc1[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)CNC(=O)CC[*:1]
CC(C)CC(CO)(CO)Cc1ccc(F)cc1 CC(C)[*:1] OCC(CO)(Cc1ccc(F)cc1)C[*:1]
CC(C)CC(CO)(CO)Cc1ccc(F)cc1 CC(C)C[*:1] OCC(CO)(Cc1ccc(F)cc1)[*:1]
O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)CO2 O=C(N1CCCC1)[*:1] O=C(NCCC[NH+]1CCCC1)c1ccc2OCC(=O)N(C[*:1])c2c1
O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)CO2 O=C(C[*:1])N1CCCC1 O=C(NCCC[NH+]1CCCC1)c1ccc2OCC(=O)N(c2c1)[*:1]
CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(CO)nn2)CC1 CC(C)C[*:1] CC(=O)N[C@@H](C(=O)N1CCC(CC1)n1cc(CO)nn1)[*:1]
CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(CO)nn2)CC1 OCc1cn(nn1)[*:1] CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(CC1)[*:1]
CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(CO)nn2)CC1 CC(=O)N[*:1] CC(C)C[C@@H](C(=O)N1CCC(CC1)n1cc(CO)nn1)[*:1]
CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(CO)nn2)CC1 CC(C)[*:1] CC(=O)N[C@@H](C[*:1])C(=O)N1CCC(CC1)n1cc(CO)nn1
CC(C)(C)[C@@H](CS)COc1cccnc1[N+](=O)[O-] CC(C)(C)[*:1] O=[N+]([O-])c1ncccc1OC[C@H](CS)[*:1]
CC(C)(C)[C@@H](CS)COc1cccnc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)[C@@H](CS)COc1cccnc1[*:1]
CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2cccs2)cc1 c1csc(c1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)C(=O)NCC[*:1]
CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2cccs2)cc1 c1csc(c1)CC[*:1] CC(C)(C)c1ccc(cc1)NC(=O)C(=O)N[*:1]
CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2cccs2)cc1 c1csc(c1)C[*:1] CC(C)(C)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2cccs2)cc1 CC(C)(C)[*:1] O=C(NCCc1cccs1)C(=O)Nc1ccc(cc1)[*:1]
COc1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)NC[C@@H]([NH+](C)C)[*:1]
CCC(=O)N1CCC([NH2+]CCCc2nc(-c3ccncc3)cs2)CC1 c1cc(ccn1)[*:1] CCC(=O)N1CCC(CC1)[NH2+]CCCc1nc(cs1)[*:1]
C[C@H]1CCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1NN FC(F)(F)[*:1] C[C@H]1CCC[C@H]1NC(=O)c1cc(ccc1NN)[*:1]
C[C@H]1CCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1NN C[C@H]1CCC[C@@H]1[*:1] NNc1ccc(cc1C(=O)N[*:1])C(F)(F)F
COCC[NH2+]CC(=O)N1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] COCC[NH2+]CC(=O)N1CCC(CC1)[*:1]
COCC[NH2+]CC(=O)N1CCC(c2ccccc2)CC1 COC[*:1] O=C(C[NH2+]C[*:1])N1CCC(CC1)c1ccccc1
CCN(C(=O)COc1cc(C)c(Cl)c(C)c1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)COc1cc(C)c(Cl)c(C)c1)[*:1]
Cc1ccc(NC(=O)Cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1nc(cs1)CSc1nnc(o1)-c1ccc2OCOc2c1)N[*:1]
Cc1ccc(NC(=O)Cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)NC(=O)Cc1nc(cs1)CSc1nnc(o1)[*:1]
Cc1ccc(NC(=O)Cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1 Cc1ccc(cc1)NC(=O)[*:1] c1cc2OCOc2cc1-c1nnc(o1)SCc1csc(C[*:1])n1
CN(C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)CSc1nnc(-c2ccc(cc2)[N+](=O)[O-])n1C)[*:1]
CN(C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)C1CCCCC1 O=[N+]([O-])c1ccc(cc1)[*:1] CN(C(=O)CSc1nnc(n1C)[*:1])C1CCCCC1
CN(C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)C1CCCCC1 O=[N+]([O-])[*:1] CN(C(=O)CSc1nnc(-c2ccc(cc2)[*:1])n1C)C1CCCCC1
Cc1cccc(-n2nc(C)cc2NC(=O)[C@H]2CCCO2)c1 Cc1cccc(c1)[*:1] Cc1cc(NC(=O)[C@H]2CCCO2)n(n1)[*:1]
Cc1cccc(-n2nc(C)cc2NC(=O)[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1cccc(c1)-n1nc(C)cc1NC(=O)[*:1]
O=c1[nH]c2ccccc2cc1-c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C1CCCC1 O=c1[nH]c2ccccc2cc1[*:1] Oc1ccc2c(c1)oc1c(c3c(O)nn(c3nc12)C1CCCC1)[*:1]
O=c1[nH]c2ccccc2cc1-c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C1CCCC1 C1CCC(C1)[*:1] O=c1[nH]c2ccccc2cc1-c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2[*:1]
CC(C)C[C@H](C)N(C)C(=O)COc1cccc(F)c1 CC(C)[*:1] C[C@@H](C[*:1])N(C)C(=O)COc1cccc(F)c1
CC(C)C[C@H](C)N(C)C(=O)COc1cccc(F)c1 CC(C)C[C@H](C)[*:1] CN(C(=O)COc1cccc(F)c1)[*:1]
CC(C)C[C@H](C)N(C)C(=O)COc1cccc(F)c1 CC(C)C[*:1] C[C@H](N(C)C(=O)COc1cccc(F)c1)[*:1]
CO[C@@H](C(=O)NCc1n[nH]c(=S)n1C(C)C)c1ccccc1 CC(C)[*:1] CO[C@@H](C(=O)NCc1n[nH]c(=S)n1[*:1])c1ccccc1
CO[C@@H](C(=O)NCc1n[nH]c(=S)n1C(C)C)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)NCc1n[nH]c(=S)n1C(C)C)[*:1]
O=C(COC(=O)c1cc2ccccc2oc1=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COC(=O)c1cc2ccccc2oc1=O)N[*:1]
Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)N3CCCC3)c1)NC(=O)CCC2=O O=S(=O)(N1CCCC1)[*:1] Cc1nn2C(=O)CCC(=O)Nc2c1-c1ccc(Cl)c(c1)[*:1]
CC(=O)Nc1ccc(OC(=O)CSCc2ccc(C)cc2)cc1 CC(=O)N[*:1] Cc1ccc(cc1)CSCC(=O)Oc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(OC(=O)CSCc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)OC(=O)CSC[*:1]
COc1ccc([C@@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@@H](c4ccc(OC)c(OC)c4)[C@@H]32)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1[C@H]2C(=Nc3ncnn31)c1cc(C)ccc1O[C@H]2[*:1]
COc1ccc([C@@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@@H](c4ccc(OC)c(OC)c4)[C@@H]32)cc1 COc1ccc(cc1OC)[*:1] COc1ccc(cc1)[C@@H]1Oc2ccc(C)cc2C2=Nc3ncnn3[C@@H]([C@@H]21)[*:1]
CC(C)C(=O)NCCCNC(=O)N[C@@H]1CCCc2ccc(F)cc21 CC(C)[*:1] O=C(NCCCNC(=O)[*:1])N[C@@H]1CCCc2ccc(F)cc21
CC(C)C(=O)NCCCNC(=O)N[C@@H]1CCCc2ccc(F)cc21 CC(C)C(=O)NCC[*:1] O=C(NC[*:1])N[C@@H]1CCCc2ccc(F)cc21
CC(C)C(=O)NCCCNC(=O)N[C@@H]1CCCc2ccc(F)cc21 CC(C)C(=O)NC[*:1] O=C(NCC[*:1])N[C@@H]1CCCc2ccc(F)cc21
CC(C)C(=O)NCCCNC(=O)N[C@@H]1CCCc2ccc(F)cc21 CC(C)C(=O)N[*:1] O=C(NCCC[*:1])N[C@@H]1CCCc2ccc(F)cc21
CN(C)c1nc(N)nc(COC(=O)c2cccc(S(C)(=O)=O)c2)n1 CS(=O)(=O)[*:1] CN(C)c1nc(N)nc(COC(=O)c2cccc(c2)[*:1])n1
CN(C)c1nc(N)nc(COC(=O)c2cccc(S(C)(=O)=O)c2)n1 CN(C)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)OCc1nc(N)nc(n1)[*:1]
COc1ccc(NC(=O)/C(C#N)=C(/[O-])COc2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)NC(=O)/C(C#N)=C(/[O-])CO[*:1]
COc1ccc(NC(=O)/C(C#N)=C(/[O-])COc2ccc(C)c(C)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)OC/C([O-])=C(/C#N)C(=O)N[*:1]
COCCOC(=O)c1c(C)[nH]c(C(N)=O)c1C NC(=O)[*:1] COCCOC(=O)c1c(C)[nH]c(c1C)[*:1]
COCCOC(=O)c1c(C)[nH]c(C(N)=O)c1C COCC[*:1] Cc1[nH]c(C(N)=O)c(C)c1C(=O)O[*:1]
COCCOC(=O)c1c(C)[nH]c(C(N)=O)c1C COC[*:1] Cc1[nH]c(C(N)=O)c(C)c1C(=O)OC[*:1]
COc1ccc(COCCCC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 COc1ccc(cc1)[*:1] O=C(CCCOC[*:1])N1CC[C@@H]2CCCC[C@@H]21
O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@H](O)C1 C1CC1[*:1] O=C(c1cc([nH]n1)[*:1])N1CCC[C@H](O)C1
Cc1ccc2oc(C(=O)NCc3cccc(OCC(=O)N(C)C)c3)cc2c1 CN(C)C(=O)C[*:1] Cc1ccc2oc(cc2c1)C(=O)NCc1cccc(c1)O[*:1]
Cc1ccc2oc(C(=O)NCc3cccc(OCC(=O)N(C)C)c3)cc2c1 CN(C)C(=O)[*:1] Cc1ccc2oc(cc2c1)C(=O)NCc1cccc(c1)OC[*:1]
Cc1ccc2oc(C(=O)NCc3cccc(OCC(=O)N(C)C)c3)cc2c1 CN(C)C(=O)CO[*:1] Cc1ccc2oc(cc2c1)C(=O)NCc1cccc(c1)[*:1]
CN(C)/C=C(\C#N)c1c(Cl)cccc1Cl CN(C)[*:1] N#CC(=C[*:1])c1c(Cl)cccc1Cl
Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1 c1nnnn1[*:1] Cc1cccc(c1)OC[C@@H](C)NC(=O)Nc1ccc(c(C)c1)[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1 Cc1cccc(c1)OC[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)N[C@H](C)[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1 Cc1cccc(c1)O[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)N[C@H](C)C[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1 Cc1cccc(c1)[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)N[C@H](C)CO[*:1]
C[C@H]1CN(CCCCNC(=O)c2ccccc2-n2cnnn2)C[C@H](C)O1 c1nnnn1[*:1] C[C@H]1CN(CCCCNC(=O)c2ccccc2[*:1])C[C@H](C)O1
O=C([O-])CN(CC(F)(F)F)C(=O)CC[C@H]1CCC[NH2+]C1 FC(F)(F)C[*:1] O=C([O-])CN(C(=O)CC[C@H]1CCC[NH2+]C1)[*:1]
O=C([O-])CN(CC(F)(F)F)C(=O)CC[C@H]1CCC[NH2+]C1 O=C([O-])[*:1] O=C(CC[C@H]1CCC[NH2+]C1)N(CC(F)(F)F)C[*:1]
O=C([O-])CN(CC(F)(F)F)C(=O)CC[C@H]1CCC[NH2+]C1 O=C([O-])C[*:1] O=C(CC[C@H]1CCC[NH2+]C1)N(CC(F)(F)F)[*:1]
O=C([O-])CN(CC(F)(F)F)C(=O)CC[C@H]1CCC[NH2+]C1 FC(F)(F)[*:1] O=C([O-])CN(C[*:1])C(=O)CC[C@H]1CCC[NH2+]C1
O=S(=O)([N-]c1nc2c(s1)COc1ccccc1-2)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)([N-]c1nc2-c3ccccc3OCc2s1)[*:1]
O=C(NCCCc1cccc(F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCCCc1cccc(F)c1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
O=C(NCCCc1cccc(F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 Fc1cccc(c1)[*:1] O=C(NCCC[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
O=C(NCCCc1cccc(F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 Fc1cccc(c1)C[*:1] O=C(NCC[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1ccccc1C#N N#Cc1ccccc1[*:1] C[C@@H]([NH2+]CC1(CCOCC1)c1cccc(Cl)c1)C(=O)N[*:1]
C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)Nc1ccccc1C#N Clc1cccc(c1)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)[*:1])C(=O)Nc1ccccc1C#N
COC(=O)[C@]1(F)CCN(C(=O)Cc2c(C)nn(C)c2C)C1 COC(=O)[*:1] Cc1nn(C)c(C)c1CC(=O)N1CC[C@@](F)(C1)[*:1]
CC[C@H](C)C(=O)Nc1cc(Br)ccc1I CC[C@H](C)[*:1] O=C(Nc1cc(Br)ccc1I)[*:1]
COc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCN(CC1)c1ccccc1)[*:1]
COc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NCCC[NH+]1CCN(CC1)[*:1]
COCc1nn(C)c(N)c1-c1cccc(F)c1 COC[*:1] Cn1nc(c(-c2cccc(F)c2)c1N)[*:1]
O=C1N=C([O-])C[C@@H]1N(C(=O)c1ccc(Oc2ccccc2)cc1)C1CC1 c1ccc(cc1)[*:1] O=C1N=C([O-])C[C@@H]1N(C(=O)c1ccc(cc1)O[*:1])C1CC1
O=C1N=C([O-])C[C@@H]1N(C(=O)c1ccc(Oc2ccccc2)cc1)C1CC1 C1CC1[*:1] O=C1N=C([O-])C[C@@H]1N(C(=O)c1ccc(cc1)Oc1ccccc1)[*:1]
O=C1N=C([O-])C[C@@H]1N(C(=O)c1ccc(Oc2ccccc2)cc1)C1CC1 c1ccc(cc1)O[*:1] O=C1N=C([O-])C[C@@H]1N(C(=O)c1ccc(cc1)[*:1])C1CC1
COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)cc1 O=C([O-])[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)Cn1nc(c2ccccc2c1=O)[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)cc1 COc1ccccc1[*:1] O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)cc1 COc1ccccc1NC(=O)[*:1] O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)Nc1ccc(cc1)[*:1]
CCN(C(=O)[C@H](C)[S@@](=O)Cc1ccc(F)cc1F)c1ccccc1 Fc1ccc(c(F)c1)[*:1] CCN(C(=O)[C@H](C)[S@@](=O)C[*:1])c1ccccc1
CCN(C(=O)[C@H](C)[S@@](=O)Cc1ccc(F)cc1F)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@H](C)[S@@](=O)Cc1ccc(F)cc1F)[*:1]
CC(C)[C@H](NC(=O)NNC(=O)c1ccc2ccccc2n1)c1ccccn1 CC(C)[*:1] O=C(NNC(=O)c1ccc2ccccc2n1)N[C@H](c1ccccn1)[*:1]
CC(C)[C@H](NC(=O)NNC(=O)c1ccc2ccccc2n1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)NNC(=O)c1ccc2ccccc2n1)[*:1]
C=CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)c2cc[nH]n2)C1 C=CCNC(=O)[*:1] Cc1ccc(cc1)-c1cccc(c1)C[C@]1(CCN(C1)C(=O)c1cc[nH]n1)[*:1]
C=CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)c2cc[nH]n2)C1 Cc1ccc(cc1)[*:1] C=CCNC(=O)[C@]1(CCN(C1)C(=O)c1cc[nH]n1)Cc1cccc(c1)[*:1]
C=CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)c2cc[nH]n2)C1 C=CC[*:1] Cc1ccc(cc1)-c1cccc(c1)C[C@@]1(CCN(C1)C(=O)c1cc[nH]n1)C(=O)N[*:1]
COc1cccc(-c2cc3c(SCc4ccccc4)nccn3n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1cc2c(nccn2n1)SC[*:1]
COc1cccc(-c2cc3c(SCc4ccccc4)nccn3n2)c1 c1ccc(cc1)CS[*:1] COc1cccc(c1)-c1cc2c(nccn2n1)[*:1]
COc1cccc(-c2cc3c(SCc4ccccc4)nccn3n2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)-c1cc2c(nccn2n1)S[*:1]
COc1cccc(-c2cc3c(SCc4ccccc4)nccn3n2)c1 COc1cccc(c1)[*:1] c1ccc(cc1)CSc1nccn2nc(cc12)[*:1]
COc1ccc(CC(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)ccc2C)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(Cl)cc1N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
COc1ccc(CC(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
COc1ccc(CC(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)ccc2C)cc1 Cc1ccc(Cl)cc1[*:1] COc1ccc(cc1)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cn1cc([C@H]2C[C@H]2C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cn1 Cn1cc(cn1)[*:1] N#C[C@H](NC(=O)[C@@H]1C[C@@H]1[*:1])c1ccc(Cl)c(Cl)c1
O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N1 O=[N+]([O-])[*:1] O=C1CC[C@@H]([C@@H](N1)c1ccc(Cl)cc1)[*:1]
COCCNC(=O)CNc1cccc(F)c1C(C)=O CC(=O)[*:1] COCCNC(=O)CNc1cccc(F)c1[*:1]
COCCNC(=O)CNc1cccc(F)c1C(C)=O COCC[*:1] CC(=O)c1c(F)cccc1NCC(=O)N[*:1]
COCCNC(=O)CNc1cccc(F)c1C(C)=O COC[*:1] CC(=O)c1c(F)cccc1NCC(=O)NC[*:1]
COC(=O)c1ccccc1NC(=O)O[C@@H]1CCN2Cc3ccccc3N=C12 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])O[C@@H]1CCN2Cc3ccccc3N=C12
CS(=O)(=O)CCN1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 CS(=O)(=O)[*:1] O[C@H](CN1CCN(CC1)CC[*:1])c1ccc(F)c(F)c1
CS(=O)(=O)CCN1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 CS(=O)(=O)C[*:1] O[C@H](CN1CCN(CC1)C[*:1])c1ccc(F)c(F)c1
CS(=O)(=O)CCN1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 CS(=O)(=O)CC[*:1] O[C@H](CN1CCN(CC1)[*:1])c1ccc(F)c(F)c1
CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)COc1ccc(C)cc1 Cc1ccc(cc1)O[*:1] CC(/C=C/c1ccc2OCOc2c1)=N/NC(=O)C[*:1]
CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)COc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(/C=C/c1ccc2OCOc2c1)=N/NC(=O)CO[*:1]
COCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3ccccn3)n2)C1 c1ccc(nc1)N[*:1] COCC(=O)N1CCC[C@H](C1)c1nc(C)cc(n1)[*:1]
COCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3ccccn3)n2)C1 COC[*:1] Cc1cc(nc(n1)[C@@H]1CCCN(C1)C(=O)[*:1])Nc1ccccn1
COCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3ccccn3)n2)C1 c1ccc(nc1)[*:1] COCC(=O)N1CCC[C@H](C1)c1nc(C)cc(n1)N[*:1]
COc1ccc(NC(=O)N2CCN(c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)cc1OC COc1ccc(cc1OC)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
CSc1ccc(C)c(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 C[S@@](=O)[*:1] CSc1ccc(C)c(c1)C(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
CCNC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(OC)c(OC)c2)C1 c1ccc(cc1)[*:1] CCNC(=O)[C@H]1C[C@H](CN(C1)C(=O)c1ccc(OC)c(c1)OC)[*:1]
CCNC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(OC)c(OC)c2)C1 CCNC(=O)[*:1] COc1ccc(cc1OC)C(=O)N1C[C@H](C[C@@H](C1)c1ccccc1)[*:1]
Cc1nn(C)c2c1nc(CCCl)n2[C@@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1nn(C)c2c1nc(CCCl)n2[C@@H](C)[*:1]
Cc1nn(C)c2c1nc(CCCl)n2[C@@H](C)[C@@H]1CCCO1 ClCC[*:1] Cc1nn(C)c2c1nc(n2[C@@H](C)[C@@H]1CCCO1)[*:1]
Cc1ccc(CCCC(=O)N(CC(=O)N(C)C)c2ccccc2)s1 CN(C)C(=O)C[*:1] Cc1ccc(CCCC(=O)N(c2ccccc2)[*:1])s1
Cc1ccc(CCCC(=O)N(CC(=O)N(C)C)c2ccccc2)s1 Cc1ccc(CC[*:1])s1 CN(C)C(=O)CN(C(=O)C[*:1])c1ccccc1
Cc1ccc(CCCC(=O)N(CC(=O)N(C)C)c2ccccc2)s1 Cc1ccc(C[*:1])s1 CN(C)C(=O)CN(C(=O)CC[*:1])c1ccccc1
Cc1ccc(CCCC(=O)N(CC(=O)N(C)C)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(CCCC(=O)N(CC(=O)N(C)C)[*:1])s1
Cc1ccc(CCCC(=O)N(CC(=O)N(C)C)c2ccccc2)s1 CN(C)C(=O)[*:1] Cc1ccc(CCCC(=O)N(C[*:1])c2ccccc2)s1
Cc1ccc(CCCC(=O)N(CC(=O)N(C)C)c2ccccc2)s1 Cc1ccc(s1)[*:1] CN(C)C(=O)CN(C(=O)CCC[*:1])c1ccccc1
Cc1ccc([C@H](CNC(=O)c2cccc(Br)c2)N2CCOCC2)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)[*:1])N1CCOCC1
Cc1ccc([C@H](CNC(=O)c2cccc(Br)c2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1cccc(Br)c1
Cc1ccc([C@H](CNC(=O)c2cccc(Br)c2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)c1cccc(Br)c1)[*:1]
C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1[*:1])Nc1ccc(cc1C#N)[N+](=O)[O-]
C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)CN1c1ccccc1 O=[N+]([O-])[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)Nc1ccc(cc1C#N)[*:1]
Cc1[nH+]cccc1[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] Cc1[nH+]cccc1[N-]S(=O)(=O)[C@@H](C)[*:1]
Cc1[nH+]cccc1[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] C[C@@H](C(=O)[O-])[*:1] Cc1[nH+]cccc1[N-]S(=O)(=O)[*:1]
Cc1ccc(C)c(C(=O)NC[C@H](O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C(=O)NC[C@H](O)C[*:1]
Cc1ccc(C)c(C(=O)NC[C@H](O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)C(=O)NC[C@H](O)[*:1]
COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCCC1 NS(=O)(=O)[*:1] COc1ccc(cc1C(=O)N1CCCCC1)[*:1]
Cc1ccc(S/C(=C(\C(=O)N2CCCC2)[N+](=O)[O-])C(Cl)Cl)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)SC(=C(C(=O)N1CCCC1)[*:1])C(Cl)Cl
Cc1ccc(S/C(=C(\C(=O)N2CCCC2)[N+](=O)[O-])C(Cl)Cl)cc1 ClC(Cl)[*:1] Cc1ccc(cc1)S/C(=C(\C(=O)N1CCCC1)[N+](=O)[O-])[*:1]
Cc1ccc(S/C(=C(\C(=O)N2CCCC2)[N+](=O)[O-])C(Cl)Cl)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)S/C(=C(/[N+](=O)[O-])[*:1])C(Cl)Cl
Cc1ccc(S/C(=C(\C(=O)N2CCCC2)[N+](=O)[O-])C(Cl)Cl)cc1 Cc1ccc(cc1)[*:1] O=C(/C(=C(\S[*:1])C(Cl)Cl)[N+](=O)[O-])N1CCCC1
COc1cccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3)c2=O)CCCC4)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-n1c(=O)c2c3CCCCc3sc2n(C[*:1])c1=O
COc1cccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3)c2=O)CCCC4)c1 COc1cccc(c1)[*:1] O=c1c2c3CCCCc3sc2n(Cc2ccccc2)c(=O)n1[*:1]
COc1cccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3)c2=O)CCCC4)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)-n1c(=O)c2c3CCCCc3sc2n(c1=O)[*:1]
CC1(C)CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 c1csc(c1)[*:1] CC1(C)CCN(C1)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)sc2c1CCCC2 COC(=O)[*:1] Cc1ccc(cc1)N(CC(=O)Nc1sc2CCCCc2c1[*:1])S(C)(=O)=O
COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)sc2c1CCCC2 Cc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)CN(S(C)(=O)=O)[*:1])sc2CCCCc21
CCOc1ccc(-c2nc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3)no2)cc1 c1cc2OCCOc2cc1[*:1] CCOc1ccc(cc1)-c1nc(no1)-c1cccc(c1)NC(=O)[*:1]
CCOc1ccc(-c2nc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3)no2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1noc(n1)[*:1])c1ccc2OCCOc2c1
CCOc1ccc(-c2nc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3)no2)cc1 CCO[*:1] O=C(Nc1cccc(c1)-c1noc(n1)-c1ccc(cc1)[*:1])c1ccc2OCCOc2c1
CC[C@H](C)NC(=O)CCNC(=O)NCc1cccc(C)n1 CC[C@H](C)[*:1] Cc1cccc(CNC(=O)NCCC(=O)N[*:1])n1
CC[C@H](C)NC(=O)CCNC(=O)NCc1cccc(C)n1 CC[C@H](C)NC(=O)[*:1] Cc1cccc(CNC(=O)NCC[*:1])n1
CC[C@H](C)NC(=O)CCNC(=O)NCc1cccc(C)n1 Cc1cccc(n1)[*:1] CC[C@H](C)NC(=O)CCNC(=O)NC[*:1]
CC(C)[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O CC(C)[*:1] O=C(NCc1ccc2OCOc2c1)[C@H](N1Cc2ccccc2C1=O)[*:1]
CC(C)[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O c1cc2OCOc2cc1[*:1] CC(C)[C@H](C(=O)NC[*:1])N1Cc2ccccc2C1=O
COc1ccc(C(=O)[C@H]2[C@@H](c3ccccc3)N2C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)[C@H]1[C@@H](N1C)[*:1]
Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 CC(C)(C)NS(=O)(=O)[*:1] Cc1cccc(c1NC(=O)c1ccc(Cl)c(c1)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 CC(C)[*:1] Cc1cccc(c1NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)NC(C)(C)C)[*:1]
Cc1c(OCC(=O)c2ccc(Br)cc2)ccc2c(=O)c(Cl)coc12 Brc1ccc(cc1)[*:1] Cc1c(ccc2c(=O)c(Cl)coc12)OCC(=O)[*:1]
CCOC(=O)c1ccccc1OC(=O)c1ccc(-n2cncn2)c(C)c1 c1ncn(n1)[*:1] CCOC(=O)c1ccccc1OC(=O)c1ccc(c(C)c1)[*:1]
CCOC(=O)c1ccccc1OC(=O)c1ccc(-n2cncn2)c(C)c1 CCOC(=O)[*:1] Cc1cc(ccc1-n1cncn1)C(=O)Oc1ccccc1[*:1]
C[C@@H]([NH2+][C@H](CO)c1ccc(Cl)cc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H]([NH2+][C@H](CO)c1ccc(Cl)cc1)[*:1]
CCOC(=O)N1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1 c1coc(c1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]CC(C)(C)C(=O)[O-])C1CC1 C1CC1[*:1] C[C@@H]([NH2+]CC(C)(C)C(=O)[O-])[*:1]
C[C@@H]([NH2+]CC(C)(C)C(=O)[O-])C1CC1 O=C([O-])[*:1] C[C@@H]([NH2+]CC(C)(C)[*:1])C1CC1
O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccs1 c1csc(c1)[*:1] O=C(NC(=S)Nc1ccc(cc1)NC(=O)[*:1])c1ccc(Cl)cc1Cl
O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccs1 Clc1ccc(c(Cl)c1)[*:1] O=C(Nc1ccc(cc1)NC(=S)NC(=O)[*:1])c1cccs1
O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(NC(=S)Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1Cl
CC(=O)c1ccc(NC(=O)NCC(=O)Nc2cccc(F)c2)cc1C Fc1cccc(c1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)NCC(=O)N[*:1]
CC(=O)c1ccc(NC(=O)NCC(=O)Nc2cccc(F)c2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NCC(=O)Nc1cccc(F)c1
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C/C=C/c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CC=C[*:1]
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C/C=C/c1ccc(F)cc1 CS(=O)(=O)[*:1] C[C@H]([C@@H](C)[*:1])N(C)C(=O)C/C=C/c1ccc(F)cc1
CC(C)(NC(=O)c1scnc1C1CC1)c1ccc(F)cc1Cl C1CC1[*:1] CC(C)(NC(=O)c1scnc1[*:1])c1ccc(F)cc1Cl
O=C(c1cccc(F)c1F)N1CCN(Cc2ccc(-c3noc(-c4cccnc4)n3)cc2)CC1 c1cncc(c1)-c1nc(no1)[*:1] O=C(c1cccc(F)c1F)N1CCN(CC1)Cc1ccc(cc1)[*:1]
O=C(c1cccc(F)c1F)N1CCN(Cc2ccc(-c3noc(-c4cccnc4)n3)cc2)CC1 Fc1cccc(c1F)[*:1] O=C(N1CCN(CC1)Cc1ccc(cc1)-c1noc(n1)-c1cccnc1)[*:1]
O=C(c1cccc(F)c1F)N1CCN(Cc2ccc(-c3noc(-c4cccnc4)n3)cc2)CC1 c1cncc(c1)[*:1] O=C(c1cccc(F)c1F)N1CCN(CC1)Cc1ccc(cc1)-c1noc(n1)[*:1]
O=C(C[NH+]1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1)Nc1cccc(F)c1 O=C(Nc1cccc(F)c1)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])N1N=C(C[C@@H]1c1ccco1)c1cccs1
O=C(C[NH+]1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1)Nc1cccc(F)c1 c1csc(c1)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N1N=C(C[C@@H]1c1ccco1)[*:1])Nc1cccc(F)c1
O=C(C[NH+]1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1)Nc1cccc(F)c1 c1coc(c1)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N1N=C(C[C@H]1[*:1])c1cccs1)Nc1cccc(F)c1
O=C(C[NH+]1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N1N=C(C[C@@H]1c1ccco1)c1cccs1)N[*:1]
O=C(C[NH+]1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1)Nc1cccc(F)c1 O=C(C[*:1])Nc1cccc(F)c1 O=C(CN1CC[NH+](CC1)[*:1])N1N=C(C[C@@H]1c1ccco1)c1cccs1
CCn1cc(C(=O)C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cn1 CCn1cc(cn1)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)C(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2OCCC(N)=O)cc1F NC(=O)[*:1] Cc1ccc(cc1F)S(=O)(=O)Nc1ccccc1OCC[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2OCCC(N)=O)cc1F Cc1ccc(cc1F)[*:1] NC(=O)CCOc1ccccc1NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2OCCC(N)=O)cc1F NC(=O)C[*:1] Cc1ccc(cc1F)S(=O)(=O)Nc1ccccc1OC[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2OCCC(N)=O)cc1F NC(=O)CC[*:1] Cc1ccc(cc1F)S(=O)(=O)Nc1ccccc1O[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2OCCC(N)=O)cc1F NC(=O)CCO[*:1] Cc1ccc(cc1F)S(=O)(=O)Nc1ccccc1[*:1]
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CC(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] CCOc1ccc(/C=C(\C#N)C(=O)N(C)C[*:1])cc1
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CC(=O)NC(C)C)cc1 CC(C)[*:1] CCOc1ccc(/C=C(\C#N)C(=O)N(C)CC(=O)N[*:1])cc1
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CC(=O)NC(C)C)cc1 CC(C)NC(=O)C[*:1] CCOc1ccc(/C=C(\C#N)C(=O)N(C)[*:1])cc1
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CC(=O)NC(C)C)cc1 CCO[*:1] CC(C)NC(=O)CN(C)C(=O)/C(C#N)=C/c1ccc(cc1)[*:1]
CCOC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O O=C(Nc1ccccc1)[*:1] CCOC(=O)[C@H](C)n1cnc2sc(c(C)c2c1=O)[*:1]
CCOC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O c1ccc(cc1)[*:1] CCOC(=O)[C@H](C)n1cnc2sc(C(=O)N[*:1])c(C)c2c1=O
CCOC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O CCOC(=O)[*:1] Cc1c(sc2ncn(c(=O)c12)[C@@H](C)[*:1])C(=O)Nc1ccccc1
CN(C(=O)c1csnn1)C1CCC([NH3+])CC1 c1snnc1[*:1] CN(C(=O)[*:1])C1CCC([NH3+])CC1
COc1cc(C)sc1C(=O)O[C@@H](C)c1nc(C)no1 Cc1noc(n1)[*:1] COc1cc(C)sc1C(=O)O[C@@H](C)[*:1]
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1O O=[N+]([O-])[*:1] CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(c2)[*:1])c(Br)cc1O
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1O O=[N+]([O-])c1cccc(c1)[*:1] CCOc1cc(/C=C(\C#N)C(=O)N[*:1])c(Br)cc1O
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1O CCO[*:1] N#C/C(=C\c1cc(c(O)cc1Br)[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
CCn1nc(C)c(NC(=O)NCC2([C@H](O)c3ccccc3)CC2)c1C O[C@H](c1ccccc1)[*:1] CCn1nc(C)c(NC(=O)NCC2(CC2)[*:1])c1C
CCn1nc(C)c(NC(=O)NCC2([C@H](O)c3ccccc3)CC2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)NCC2(CC2)[C@H](O)[*:1])c1C
CC(C)(C)c1nc2ccc(NC(=O)c3cccc4ncccc34)cc2[nH]1 CC(C)(C)[*:1] O=C(Nc1ccc2nc([nH]c2c1)[*:1])c1cccc2ncccc12
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(C)on2)c1 CNS(=O)(=O)[*:1] Cc1cc(no1)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(C)on2)c1 Cc1cc(no1)[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)NC(=O)[*:1]
C[C@H](N[C@H](C)CC(=O)N1CCCCCC1)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H](N[C@H](C)CC(=O)N1CCCCCC1)C(=O)O[*:1]
C[C@H](N[C@H](C)CC(=O)N1CCCCCC1)C(=O)OC(C)(C)C CC(C)(C)OC(=O)[*:1] C[C@H](N[C@H](C)CC(=O)N1CCCCCC1)[*:1]
CCCNc1nc([C@H](C)OC)nc2c1CCCC2 CCCN[*:1] CO[C@@H](C)c1nc2CCCCc2c(n1)[*:1]
CCCNc1nc([C@H](C)OC)nc2c1CCCC2 CCC[*:1] CO[C@@H](C)c1nc2CCCCc2c(n1)N[*:1]
CCCNc1nc([C@H](C)OC)nc2c1CCCC2 CO[C@@H](C)[*:1] CCCNc1nc(nc2CCCCc21)[*:1]
COc1ccc(C(=O)N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)c2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)C(=O)N(C[C@@H]1C=c2ccccc2=[NH+]C1=O)[*:1]
COc1ccc(C(=O)N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)c2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1N(C[C@@H]1C=c2ccccc2=[NH+]C1=O)C(=O)[*:1]
Cc1cccc(-n2nnnc2S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c1 Cc1cccc(c1)[*:1] C[C@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)[C@H](C)Sc1nnnn1[*:1]
C[C@H]1CCC[C@@H](CCNC(=O)c2ccccc2Cn2cncn2)C1 c1ncn(n1)[*:1] C[C@H]1CCC[C@@H](CCNC(=O)c2ccccc2C[*:1])C1
C[C@H]1CCC[C@@H](CCNC(=O)c2ccccc2Cn2cncn2)C1 c1ncn(C[*:1])n1 C[C@H]1CCC[C@@H](CCNC(=O)c2ccccc2[*:1])C1
Cn1cc(NC(=O)Cc2c[nH]c3ccccc23)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(NC(=O)Cc2c[nH]c3ccccc23)c(n1)[*:1]
C[C@H](OC[C@H]1CCCO1)/C([O-])=N/S(=O)(=O)c1ccc(Br)cc1 C1CO[C@H](C1)[*:1] C[C@H](OC[*:1])/C([O-])=N/S(=O)(=O)c1ccc(Br)cc1
C[C@H](OC[C@H]1CCCO1)/C([O-])=N/S(=O)(=O)c1ccc(Br)cc1 C1CO[C@H](C1)C[*:1] C[C@H](O[*:1])/C([O-])=N/S(=O)(=O)c1ccc(Br)cc1
C[C@H](OC[C@H]1CCCO1)/C([O-])=N/S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](OC[C@H]1CCCO1)/C([O-])=N/S(=O)(=O)[*:1]
C[C@H](OC[C@H]1CCCO1)/C([O-])=N/S(=O)(=O)c1ccc(Br)cc1 C1CO[C@H](C1)CO[*:1] C[C@H](/C([O-])=N/S(=O)(=O)c1ccc(Br)cc1)[*:1]
CNC(=O)c1ccc(CNC[C@H](c2ccc(Cl)cc2)n2cccn2)cc1 Clc1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)CNC[C@H](n1cccn1)[*:1]
CNC(=O)c1ccc(CNC[C@H](c2ccc(Cl)cc2)n2cccn2)cc1 c1cnn(c1)[*:1] CNC(=O)c1ccc(cc1)CNC[C@H](c1ccc(Cl)cc1)[*:1]
CNC(=O)c1ccc(CNC[C@H](c2ccc(Cl)cc2)n2cccn2)cc1 CNC(=O)[*:1] Clc1ccc(cc1)[C@@H](CNCc1ccc(cc1)[*:1])n1cccn1
C[C@H]1C(=O)N[C@@](C)(C2CC2)C(=O)N1c1ccn(C)n1 Cn1ccc(n1)[*:1] C[C@H]1C(=O)N[C@](C)(C(=O)N1[*:1])C1CC1
C[C@H]1C(=O)N[C@@](C)(C2CC2)C(=O)N1c1ccn(C)n1 C1CC1[*:1] C[C@H]1C(=O)N[C@@](C)(C(=O)N1c1ccn(C)n1)[*:1]
O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)NC1CCCC1 C1CCC(C1)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N[*:1]
CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1ccco1 c1coc(c1)[*:1] CC[NH+](CC)[C@@H](CNC(=O)N1CCN(CC1)c1ncccn1)[*:1]
CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1ccco1 c1cnc(nc1)[*:1] CC[NH+](CC)[C@@H](CNC(=O)N1CCN(CC1)[*:1])c1ccco1
CCO[C@@H]1CCCN(C(=O)NCc2ccc(C)cc2N(C)C)C1 CN(C)[*:1] CCO[C@@H]1CCCN(C1)C(=O)NCc1ccc(C)cc1[*:1]
CCO[C@@H]1CCCN(C(=O)NCc2ccc(C)cc2N(C)C)C1 CCO[*:1] Cc1ccc(CNC(=O)N2CCC[C@H](C2)[*:1])c(c1)N(C)C
O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 C(=C[*:1])c1ccccc1 O=C(Nc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCO1)[*:1]
O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCO1
CCc1ccc(-n2c(CCC(F)(F)F)n[nH]c2=O)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)-n1c(CC[*:1])n[nH]c1=O
CCc1ccc(-n2c(CCC(F)(F)F)n[nH]c2=O)cc1 FC(F)(F)C[*:1] CCc1ccc(cc1)-n1c(C[*:1])n[nH]c1=O
CCc1ccc(-n2c(CCC(F)(F)F)n[nH]c2=O)cc1 FC(F)(F)CC[*:1] CCc1ccc(cc1)-n1c(n[nH]c1=O)[*:1]
CCCC[C@H]([NH3+])C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1 CN(C)[*:1] CCCC[C@H]([NH3+])C(=O)N1CCc2c(C1)nc(nc2[*:1])-c1ccccn1
CCCC[C@H]([NH3+])C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1 CCC[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)[C@@H]([NH3+])C[*:1])-c1ccccn1
CCCC[C@H]([NH3+])C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1 c1ccc(nc1)[*:1] CCCC[C@H]([NH3+])C(=O)N1CCc2c(C1)nc(nc2N(C)C)[*:1]
CCCC[C@H]([NH3+])C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1 CCCC[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)[C@@H]([NH3+])[*:1])-c1ccccn1
O=C(c1csc(C#CCCO)c1)N1CCc2ccccc21 OCCC#C[*:1] O=C(c1csc(c1)[*:1])N1CCc2ccccc21
O=C(c1csc(C#CCCO)c1)N1CCc2ccccc21 OCC[*:1] O=C(c1csc(C#C[*:1])c1)N1CCc2ccccc21
COc1cccc(O[C@H](C)CNC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1 COc1cccc(c1)[*:1] C[C@H](CNC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)O[*:1]
CC[C@H](C)N(CC)C(=O)c1cc(Br)ccc1F CC[C@H](C)[*:1] CCN(C(=O)c1cc(Br)ccc1F)[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCOC[C@H]1C1CC1 C1CC1[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCOC[C@@H]1[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCOC[C@H]1C1CC1 Fc1ccc(c(F)c1)[*:1] Cc1nn(c(C)c1CN1CCOC[C@H]1C1CC1)[*:1]
O=C(NC(C1CC1)C1CC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 C1CC1C(C1CC1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)Nc1ccc(F)cc1
O=C(NC(C1CC1)C1CC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] O=C(NC(C1CC1)C1CC1)c1cccc(c1)S(=O)(=O)N[*:1]
O=C(NC(C1CC1)C1CC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 C1CC1[*:1] O=C(NC(C1CC1)[*:1])c1cccc(c1)S(=O)(=O)Nc1ccc(F)cc1
COc1cccc(OC)c1C(=O)OCc1nnc(-c2ccccc2Br)o1 Brc1ccccc1[*:1] COc1cccc(OC)c1C(=O)OCc1nnc(o1)[*:1]
Cc1nc2ccc(N(C)[C@@H]3CCN(CC(F)(F)F)C3=O)cc2s1 FC(F)(F)C[*:1] Cc1nc2ccc(cc2s1)N(C)[C@@H]1CCN(C1=O)[*:1]
Cc1nc2ccc(N(C)[C@@H]3CCN(CC(F)(F)F)C3=O)cc2s1 FC(F)(F)[*:1] Cc1nc2ccc(cc2s1)N(C)[C@@H]1CCN(C[*:1])C1=O
CSC[C@@H](CCO)NC(=O)Nc1c(C)cc(Br)cc1C OCC[*:1] CSC[C@@H](NC(=O)Nc1c(C)cc(Br)cc1C)[*:1]
CSC[C@@H](CCO)NC(=O)Nc1c(C)cc(Br)cc1C CSC[*:1] Cc1cc(Br)cc(C)c1NC(=O)N[C@H](CCO)[*:1]
C/C(=C\C(=O)Nc1ccc2c(c1)OCCO2)NNC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C/C(=C\C(=O)Nc1ccc2OCCOc2c1)NNC(=O)[*:1]
COc1ccc([C@H]2C[C@H]2/C(C)=N\O)cc1 CC(=NO)[*:1] COc1ccc(cc1)[C@H]1C[C@@H]1[*:1]
CC(C)OCCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 CC(C)OC[*:1] O=S(=O)(c1cccc(Cl)c1)N1CN(CC[*:1])c2nc3ccccc3nc21
CC(C)OCCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 CC(C)OCC[*:1] O=S(=O)(c1cccc(Cl)c1)N1CN(C[*:1])c2nc3ccccc3nc21
CC(C)OCCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 CC(C)O[*:1] O=S(=O)(c1cccc(Cl)c1)N1CN(CCC[*:1])c2nc3ccccc3nc21
CC(C)OCCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 CC(C)[*:1] O=S(=O)(c1cccc(Cl)c1)N1CN(CCCO[*:1])c2nc3ccccc3nc21
CC(C)OCCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 CC(C)OCCC[*:1] O=S(=O)(c1cccc(Cl)c1)N1CN(c2nc3ccccc3nc21)[*:1]
CC(C)OCCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 Clc1cccc(c1)[*:1] CC(C)OCCCN1CN(c2nc3ccccc3nc21)S(=O)(=O)[*:1]
CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccccc2C)C1=O Cc1ccccc1[*:1] CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2[*:1])C1=O
CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccccc2C)C1=O CCC[*:1] Cc1ccccc1[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(C#N)cc2)cs1 N#Cc1ccc(cc1)[*:1] CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)[*:1])cs1
CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(C#N)cc2)cs1 Cc1ccc(cc1)[*:1] CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C#N)cc2)cs1)[*:1]
C[C@@H](CC1CCOCC1)[NH2+][C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@@H](CC1CCOCC1)[NH2+][C@H](C)[*:1]
C[C@@H](CC1CCOCC1)[NH2+][C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](CC1CCOCC1)[NH2+][C@H](C)C[*:1]
C[C@@H](CCl)CS(=O)(=O)NC1C(C)(C)C1(C)C C[C@@H](CCl)[*:1] CC1(C)C(NS(=O)(=O)C[*:1])C1(C)C
C[C@@H](CCl)CS(=O)(=O)NC1C(C)(C)C1(C)C C[C@@H](CCl)C[*:1] CC1(C)C(NS(=O)(=O)[*:1])C1(C)C
Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2nc(-c3ccc(F)cc3)cn12 Fc1ccc(cc1)[*:1] Cc1c(sc2nc(cn12)[*:1])C(=O)N1CCC2(CC1)OCCO2
CCn1c(C(=O)N(C(C)C)C2CCOCC2)cc2ccccc21 C1CC(CCO1)[*:1] CCn1c(cc2ccccc21)C(=O)N(C(C)C)[*:1]
CCn1c(C(=O)N(C(C)C)C2CCOCC2)cc2ccccc21 CC(C)[*:1] CCn1c(cc2ccccc21)C(=O)N(C1CCOCC1)[*:1]
CCN(Cc1cccc(NC(=O)NC2CCCCCC2)c1)C(C)=O CCN(C[*:1])C(C)=O O=C(Nc1cccc(c1)[*:1])NC1CCCCCC1
CCN(Cc1cccc(NC(=O)NC2CCCCCC2)c1)C(C)=O CCN(C(C)=O)[*:1] O=C(Nc1cccc(c1)C[*:1])NC1CCCCCC1
CCN(Cc1cccc(NC(=O)NC2CCCCCC2)c1)C(C)=O C1CCCC(CC1)[*:1] CCN(Cc1cccc(c1)NC(=O)N[*:1])C(C)=O
C[C@@H](NC(=O)Nc1ccc(OCCC(N)=O)cc1)c1ccc(Cl)cc1 NC(=O)CCO[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
C[C@@H](NC(=O)Nc1ccc(OCCC(N)=O)cc1)c1ccc(Cl)cc1 NC(=O)CC[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)O[*:1])c1ccc(Cl)cc1
C[C@@H](NC(=O)Nc1ccc(OCCC(N)=O)cc1)c1ccc(Cl)cc1 NC(=O)C[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)OC[*:1])c1ccc(Cl)cc1
C[C@@H](NC(=O)Nc1ccc(OCCC(N)=O)cc1)c1ccc(Cl)cc1 NC(=O)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)OCC[*:1])c1ccc(Cl)cc1
C[C@@H](NC(=O)Nc1ccc(OCCC(N)=O)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)OCCC(N)=O)[*:1]
COc1ncccc1CN1C(=O)CNC(=O)[C@H]1C1CC1 C1CC1[*:1] COc1ncccc1CN1C(=O)CNC(=O)[C@@H]1[*:1]
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCCN1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCCN1C(=O)[*:1]
O=C(NC1CC1)c1nc(-c2cn(-c3ccc(Cl)cc3)nn2)no1 O=C(NC1CC1)[*:1] Clc1ccc(cc1)-n1cc(nn1)-c1noc(n1)[*:1]
O=C(NC1CC1)c1nc(-c2cn(-c3ccc(Cl)cc3)nn2)no1 Clc1ccc(cc1)[*:1] O=C(NC1CC1)c1nc(no1)-c1cn(nn1)[*:1]
O=C(NC1CC1)c1nc(-c2cn(-c3ccc(Cl)cc3)nn2)no1 C1CC1[*:1] O=C(N[*:1])c1nc(no1)-c1cn(nn1)-c1ccc(Cl)cc1
COc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@H]2CCCO2)cc1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(cc1)C(=O)Nc1c(c(C)c(C)n1C[C@H]1CCCO1)[*:1]
COc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@H]2CCCO2)cc1 COc1ccc(cc1)C(=O)N[*:1] Cc1c(-c2nc3ccccc3[nH]2)c(n(C[C@H]2CCCO2)c1C)[*:1]
COc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@H]2CCCO2)cc1 COc1ccc(cc1)[*:1] Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)[*:1])n(C[C@H]2CCCO2)c1C
C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)c1ccc2nnc(C(F)(F)F)n2n1 c1ccc2c(c1)ncn2[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)c1ccc2nnc(n2n1)C(F)(F)F
C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)c1ccc2nnc(C(F)(F)F)n2n1 FC(F)(F)[*:1] C[C@H](c1ccc(cc1)-n1cnc2ccccc21)N(C)c1ccc2nnc(n2n1)[*:1]
CSc1nc2nc(C(F)(F)F)cc(-c3ccco3)n2n1 c1coc(c1)[*:1] CSc1nc2nc(cc(n2n1)[*:1])C(F)(F)F
CSc1nc2nc(C(F)(F)F)cc(-c3ccco3)n2n1 FC(F)(F)[*:1] CSc1nc2nc(cc(-c3ccco3)n2n1)[*:1]
Cc1c(C#N)c(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)n(C[C@H]2CCCO2)c1C Clc1ccc(cc1)[*:1] Cc1c(C#N)c(NC(=O)CSc2nccn2[*:1])n(C[C@H]2CCCO2)c1C
CN(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](CCO)S2)cc1 OCC[*:1] CN(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](S2)[*:1])cc1
CN(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](CCO)S2)cc1 CN(C)[*:1] O=C1N/C(=N\N=C/c2ccc(cc2)[*:1])S[C@H]1CCO
C[C@H](C[NH2+]Cc1ccccc1Br)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](C[NH2+]Cc1ccccc1Br)[*:1]
C[C@H](C[NH2+]Cc1ccccc1Br)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](C[NH2+]Cc1ccccc1Br)C[*:1]
COC(=O)C1=C(C)C(C(=O)c2cc3ccccc3o2)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)c1cc2ccccc2o1
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1 CC[C@@H](C)[*:1] O=S(=O)([N-]c1ccn(n1)-c1ccccc1)c1ccc(cc1)[*:1]
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CC[C@@H](C)c1ccc(cc1)S(=O)(=O)[N-]c1ccn(n1)[*:1]
Cc1cc/c(=N/S(=O)(=O)C[C@H](C)CCl)[nH]c1 C[C@H](CCl)C[*:1] Cc1cc/c(=N/S(=O)(=O)[*:1])[nH]c1
Cc1cc/c(=N/S(=O)(=O)C[C@H](C)CCl)[nH]c1 C[C@H](CCl)[*:1] Cc1cc/c(=N/S(=O)(=O)C[*:1])[nH]c1
C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1nncs1 Fc1ccc(cc1)[*:1] C[C@H](SCC(=O)N[*:1])C(=O)Nc1nncs1
C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1nncs1 c1nnc(s1)[*:1] C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N[*:1]
COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=S)NC(=O)c1ccncc1 Cc1ccc(cc1)[*:1] COC(=O)c1c(csc1NC(=S)NC(=O)c1ccncc1)[*:1]
COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=S)NC(=O)c1ccncc1 COC(=O)[*:1] Cc1ccc(cc1)-c1csc(NC(=S)NC(=O)c2ccncc2)c1[*:1]
COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=S)NC(=O)c1ccncc1 c1cc(ccn1)[*:1] COC(=O)c1c(csc1NC(=S)NC(=O)[*:1])-c1ccc(C)cc1
C[C@@H](CC(=O)NCCc1cccc(O)c1)NC(=O)C1CCCCC1 Oc1cccc(c1)C[*:1] C[C@@H](CC(=O)NC[*:1])NC(=O)C1CCCCC1
C[C@@H](CC(=O)NCCc1cccc(O)c1)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](CC(=O)NCCc1cccc(O)c1)NC(=O)[*:1]
C[C@@H](CC(=O)NCCc1cccc(O)c1)NC(=O)C1CCCCC1 Oc1cccc(c1)[*:1] C[C@@H](CC(=O)NCC[*:1])NC(=O)C1CCCCC1
Cc1cc(Nc2ccn(C)n2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])Nc1ccn(C)n1
CCOc1ccccc1N1C[C@@H]([C@@H]2[NH+]=c3ccc(C)cc3=[NH+]2)CC1=O CCO[*:1] Cc1ccc2=[NH+][C@H]([NH+]=c2c1)[C@H]1CC(=O)N(C1)c1ccccc1[*:1]
CCn1cc[nH+]c(N2CCO[C@H](c3cccc(O)c3)C2)c1=O Oc1cccc(c1)[*:1] CCn1cc[nH+]c(c1=O)N1CCO[C@H](C1)[*:1]
COc1ccc(C(=O)Nc2[nH]ncc2N)cc1F Nc1cn[nH]c1[*:1] COc1ccc(cc1F)C(=O)N[*:1]
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)cc1Cl c1cc2OCCOc2cc1[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccc(Cl)cc1Cl
Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2cc(C)c(C)cc2C)n1 C1CCN(CC1)[*:1] Cc1cc(nc(n1)NCCNS(=O)(=O)c1cc(C)c(C)cc1C)[*:1]
Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2cc(C)c(C)cc2C)n1 Cc1cc(C)c(cc1C)[*:1] Cc1cc(nc(n1)NCCNS(=O)(=O)[*:1])N1CCCCC1
Cn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)cn1 FC(F)(F)[*:1] Cn1cc(cn1)-c1cc(c2c(nn(CC(=O)[O-])c2n1)C1CC1)[*:1]
Cn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)cn1 Cn1cc(cn1)[*:1] O=C([O-])Cn1nc(c2c(cc(nc21)[*:1])C(F)(F)F)C1CC1
Cn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)cn1 O=C([O-])C[*:1] Cn1cc(cn1)-c1cc(c2c(nn(c2n1)[*:1])C1CC1)C(F)(F)F
Cn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)cn1 C1CC1[*:1] Cn1cc(cn1)-c1cc(c2c(nn(CC(=O)[O-])c2n1)[*:1])C(F)(F)F
Cn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)cn1 O=C([O-])[*:1] Cn1cc(cn1)-c1cc(c2c(nn(C[*:1])c2n1)C1CC1)C(F)(F)F
C=CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)C[*:1] C=CCOc1ccc(cc1)NC(=O)C1CC[NH+](CC1)[*:1]
C=CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 C=CC[*:1] O=C(Nc1ccc(cc1)O[*:1])C1CC[NH+](CC1)Cc1ccc(F)cc1
C=CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 C=CCO[*:1] O=C(Nc1ccc(cc1)[*:1])C1CC[NH+](CC1)Cc1ccc(F)cc1
C=CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] C=CCOc1ccc(cc1)NC(=O)C1CC[NH+](CC1)C[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[*:1]
O=C(Oc1ccc2c(c1)CCC2)c1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] O=C(Oc1ccc2CCCc2c1)c1ccc(cc1)[*:1]
COc1cc(C)c2occ(C(C)=O)c2c1 CC(=O)[*:1] COc1cc(C)c2occ(c2c1)[*:1]
COc1ccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccccn4)c3C2=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1nn(-c2ccccn2)c2ncc3C(=O)N(C(=O)c3c12)[*:1]
COc1ccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccccn4)c3C2=O)c(OC)c1 c1ccc(nc1)[*:1] COc1ccc(c(c1)OC)N1C(=O)c2cnc3c(c(C)nn3[*:1])c2C1=O
CC(C)CCn1c(CCCC(=O)N2CCC3(CC2)OCCO3)nc2cccnc21 CC(C)[*:1] O=C(CCCc1nc2cccnc2n1CC[*:1])N1CCC2(CC1)OCCO2
CC(C)CCn1c(CCCC(=O)N2CCC3(CC2)OCCO3)nc2cccnc21 CC(C)C[*:1] O=C(CCCc1nc2cccnc2n1C[*:1])N1CCC2(CC1)OCCO2
CC(C)CCn1c(CCCC(=O)N2CCC3(CC2)OCCO3)nc2cccnc21 CC(C)CC[*:1] O=C(CCCc1nc2cccnc2n1[*:1])N1CCC2(CC1)OCCO2
C/[NH+]=C(/NCc1nc(C)c(C)s1)NCc1ccc(C)cc1C Cc1nc(sc1C)[*:1] C/[NH+]=C(\NCc1ccc(C)cc1C)NC[*:1]
COc1ccccc1[C@H]([NH2+]Cc1nncn1C)C1CCCC1 C1CCC(C1)[*:1] COc1ccccc1[C@H]([NH2+]Cc1nncn1C)[*:1]
COc1ccccc1[C@H]([NH2+]Cc1nncn1C)C1CCCC1 Cn1cnnc1[*:1] COc1ccccc1[C@H]([NH2+]C[*:1])C1CCCC1
O=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(N1CCCCC1)N1CCN(C1)S(=O)(=O)[*:1]
Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 Fc1ccc(cc1)[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)c1ccccc1)C[*:1]
Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 Fc1ccc(cc1)C[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)c1ccccc1)[*:1]
Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 c1ccc(cc1)[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)[*:1])Cc1ccc(F)cc1
COc1cccc(OC)c1C(=O)N1CCN(Cc2c[nH]c3ccccc23)CC1 c1ccc2c(c[nH]c2c1)[*:1] COc1cccc(OC)c1C(=O)N1CCN(CC1)C[*:1]
CC(C)[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1)N1CC[NH+](C)CC1 c1ccc(cc1)[*:1] CC(C)[C@@H](CNC(=O)c1cnn(c1)[*:1])N1CC[NH+](C)CC1
CC(C)[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)c1cnn(c1)-c1ccccc1)[*:1]
Cc1nc2c(C(=O)N3CCC(=O)N(CC4CC4)[C@@H](C(C)C)C3)cccc2[nH]1 C1CC1C[*:1] Cc1nc2c(cccc2[nH]1)C(=O)N1CCC(=O)N([C@H](C1)C(C)C)[*:1]
Cc1nc2c(C(=O)N3CCC(=O)N(CC4CC4)[C@@H](C(C)C)C3)cccc2[nH]1 C1CC1[*:1] Cc1nc2c(cccc2[nH]1)C(=O)N1CCC(=O)N(C[*:1])[C@H](C1)C(C)C
Cc1nc2c(C(=O)N3CCC(=O)N(CC4CC4)[C@@H](C(C)C)C3)cccc2[nH]1 CC(C)[*:1] Cc1nc2c(cccc2[nH]1)C(=O)N1CCC(=O)N(CC2CC2)[C@@H](C1)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)Cc2cnn(-c3ccccc3)c2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)Cc1cnn(c1)-c1ccccc1)[C@@H](O)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)Cc2cnn(-c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)Cc1cnn(c1)[*:1]
Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)NC[C@@H]1CCCO1
CC(C)N1CC[C@@H](N[C@H]2CC3(CCCC3)Oc3ccccc32)C1=O CC(C)[*:1] O=C1[C@@H](CCN1[*:1])N[C@H]1CC2(CCCC2)Oc2ccccc21
N#CCNC(=O)C[NH+]1CCC(n2cncn2)CC1 N#CC[*:1] O=C(C[NH+]1CCC(CC1)n1cncn1)N[*:1]
N#CCNC(=O)C[NH+]1CCC(n2cncn2)CC1 c1ncn(n1)[*:1] N#CCNC(=O)C[NH+]1CCC(CC1)[*:1]
N#CCNC(=O)C[NH+]1CCC(n2cncn2)CC1 N#CCNC(=O)[*:1] c1ncn(n1)C1CC[NH+](CC1)C[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 CC(C)(C)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCOCC1
Cc1cnn(C[C@@H](C)[NH2+]Cc2nc(-c3ccc4c(c3)OCO4)no2)c1 Cc1cnn(c1)C[*:1] C[C@@H]([NH2+]Cc1nc(no1)-c1ccc2OCOc2c1)[*:1]
Cc1cnn(C[C@@H](C)[NH2+]Cc2nc(-c3ccc4c(c3)OCO4)no2)c1 Cc1cnn(c1)[*:1] C[C@H](C[*:1])[NH2+]Cc1nc(no1)-c1ccc2OCOc2c1
Cc1cnccc1CCNCc1cn(C)nc1-c1ccccc1 Cc1cnccc1[*:1] Cn1cc(CNCC[*:1])c(n1)-c1ccccc1
Cc1cnccc1CCNCc1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cnccc1CCNCc1cn(C)nc1[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc2OCOc2c1)Nc1ccc(cc1)[*:1]
C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 O=c1[nH]c2ccc(cc2[nH]1)[*:1] C[C@H](Sc1nc(nc2ccccc12)-c1ccco1)C(=O)N[*:1]
C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 c1coc(c1)[*:1] C[C@H](Sc1nc(nc2ccccc12)[*:1])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
C[C@]1(c2nnc(CCCl)o2)CCCO1 ClCC[*:1] C[C@@]1(CCCO1)c1nnc(o1)[*:1]
Cc1ccccc1C(=O)N1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 CS(=O)(=O)[*:1] Cc1ccccc1C(=O)N1CCN(CC1)c1nc2c(cccc2s1)[*:1]
Cc1ccccc1C(=O)N1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 Cc1ccccc1[*:1] CS(=O)(=O)c1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C1CCCN1Cc1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc(Cl)c(Cl)c1
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 O=C1CCCN1C[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)c(Cl)c1
CC(C)(C)CC(C)(C)NC(=O)c1ccccc1F CC(C)(C)[*:1] CC(C)(C[*:1])NC(=O)c1ccccc1F
CC(C)(C)CC(C)(C)NC(=O)c1ccccc1F CC(C)(C)C[*:1] CC(C)(NC(=O)c1ccccc1F)[*:1]
CC[C@H]1CN(Cc2ccccc2)[C@H](CC)CN1C(=O)[C@@H]1COCCO1 c1ccc(cc1)[*:1] CC[C@H]1CN(C[*:1])[C@H](CC)CN1C(=O)[C@@H]1COCCO1
CC[C@H]1CN(Cc2ccccc2)[C@H](CC)CN1C(=O)[C@@H]1COCCO1 c1ccc(cc1)C[*:1] CC[C@H]1CN([C@H](CC)CN1C(=O)[C@@H]1COCCO1)[*:1]
CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)OCO3)c(=O)n2C c1cc2OCOc2cc1[*:1] CCOc1c(cnc2c1c(=O)n(CC(=O)N[*:1])c(=O)n2C)CC
CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)OCO3)c(=O)n2C CCO[*:1] CCc1cnc2c(c1[*:1])c(=O)n(CC(=O)Nc1ccc3OCOc3c1)c(=O)n2C
NC(=O)N1CCC[C@@H](C(=O)NCc2noc(Cc3ccccc3)n2)C1 c1ccc(cc1)C[*:1] NC(=O)N1CCC[C@H](C1)C(=O)NCc1noc(n1)[*:1]
NC(=O)N1CCC[C@@H](C(=O)NCc2noc(Cc3ccccc3)n2)C1 c1ccc(cc1)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)NCc1noc(C[*:1])n1
Cc1cccc(C)c1NC(=O)CCCc1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CCC[*:1]
COCCNC(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C C1CO[C@H](C1)C[*:1] COCCNC(=O)c1sc2ncnc(N[*:1])c2c1C
COCCNC(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C C1CO[C@H](C1)CN[*:1] COCCNC(=O)c1sc2ncnc(c2c1C)[*:1]
COCCNC(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C C1CO[C@H](C1)[*:1] COCCNC(=O)c1sc2ncnc(NC[*:1])c2c1C
COCCNC(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C COCCNC(=O)[*:1] Cc1c(sc2ncnc(NC[C@H]3CCCO3)c12)[*:1]
COCCNC(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C COCC[*:1] Cc1c(sc2ncnc(NC[C@H]3CCCO3)c12)C(=O)N[*:1]
COCCNC(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C COC[*:1] Cc1c(sc2ncnc(NC[C@H]3CCCO3)c12)C(=O)NC[*:1]
Cc1nc(CCCN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cs1 Cc1nc(cs1)C[*:1] O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC[*:1]
Cc1nc(CCCN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cs1 Cc1nc(cs1)[*:1] O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CCC[*:1]
Cc1nc(CCCN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cs1 Cc1nc(cs1)CC[*:1] O=C1N[C@@]2(CCc3ccccc32)C(=O)N1C[*:1]
O=C(C1CC1)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)o2)=NO1 Fc1ccccc1C[*:1] O=C(C1CC1)N(C[C@H]1CC(=NO1)c1ccc(Cl)o1)[*:1]
O=C(C1CC1)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)o2)=NO1 Clc1ccc(o1)[*:1] O=C(C1CC1)N(Cc1ccccc1F)C[C@H]1CC(=NO1)[*:1]
O=C(C1CC1)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)o2)=NO1 C1CC1[*:1] O=C(N(Cc1ccccc1F)C[C@H]1CC(=NO1)c1ccc(Cl)o1)[*:1]
O=C(C1CC1)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)o2)=NO1 Fc1ccccc1[*:1] O=C(C1CC1)N(C[C@H]1CC(=NO1)c1ccc(Cl)o1)C[*:1]
CCS[C@H]1CC[C@H](NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)C1 CCS[*:1] CN(Cc1nc(cs1)C(F)(F)F)C(=O)N[C@H]1CC[C@@H](C1)[*:1]
CCS[C@H]1CC[C@H](NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)C1 FC(F)(F)[*:1] CCS[C@H]1CC[C@@H](C1)NC(=O)N(C)Cc1nc(cs1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)C[C@@H]2CCOc3ccccc32)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)C[C@@H]1CCOc2ccccc21)[C@H](O)[*:1]
Cc1ccc(Sc2ccc(C(=O)NC3CC3)cn2)cc1 C1CC1[*:1] Cc1ccc(cc1)Sc1ccc(cn1)C(=O)N[*:1]
Cc1ccc(Sc2ccc(C(=O)NC3CC3)cn2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)Sc1ccc(cn1)[*:1]
C[C@@H](CCc1ccccc1F)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 Fc1ccccc1C[*:1] C[C@@H](C[*:1])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1
C[C@@H](CCc1ccccc1F)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 Fc1ccccc1[*:1] C[C@@H](CC[*:1])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1
O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1cc2ccccc2o1 C1CN(CCO1)[*:1] O=C(NC[C@@H]([C@@H]1CCOC1)[*:1])c1cc2ccccc2o1
O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1cc2ccccc2o1 C1C[C@H](CO1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1cc2ccccc2o1
CCN(CC(=O)NC)c1cc(N)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] CCN(CC(=O)NC)c1cc(N)cc(c1C)[*:1]
CCN(CC(=O)NC)c1cc(N)cc(S(N)(=O)=O)c1C CNC(=O)C[*:1] CCN(c1cc(N)cc(c1C)S(N)(=O)=O)[*:1]
CCN(CC(=O)NC)c1cc(N)cc(S(N)(=O)=O)c1C CNC(=O)[*:1] CCN(C[*:1])c1cc(N)cc(c1C)S(N)(=O)=O
O=C1c2ccccc2C(=O)N1CSc1nnc2ccc(C(F)(F)F)cn12 FC(F)(F)[*:1] O=C1c2ccccc2C(=O)N1CSc1nnc2ccc(cn12)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(C)C CC(C)[*:1] COc1ccc(cc1NC(=S)N[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(C)C O=[N+]([O-])[*:1] COc1ccc(cc1NC(=S)NC(C)C)[*:1]
Cc1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)on1 Cc1cc(on1)[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)[*:1]
Cc1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)on1 c1ccc(cc1)C[*:1] Cc1cc(on1)C(=O)NCc1cnn(c1)[*:1]
Cc1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)on1 c1ccc(cc1)[*:1] Cc1cc(on1)C(=O)NCc1cnn(c1)C[*:1]
Nc1c(C(=O)Nc2ccccc2O)cc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1c(cc(F)cc1[*:1])C(=O)Nc1ccccc1O
Nc1c(C(=O)Nc2ccccc2O)cc(F)cc1[N+](=O)[O-] Oc1ccccc1[*:1] Nc1c(cc(F)cc1[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)o1 Cc1ccc(C=C[*:1])o1 CC(C)(C)OC(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)o1 CC(C)(C)OC(=O)N[*:1] Cc1ccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])o1
Cc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)o1 Cc1ccc(o1)[*:1] CC(C)(C)OC(=O)Nc1ccc(cc1)NC(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)o1 CC(C)(C)[*:1] Cc1ccc(/C=C/C(=O)Nc2ccc(cc2)NC(=O)O[*:1])o1
CCNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N CCN[*:1] N#Cc1nc(oc1[*:1])-c1ccc(cc1)OCc1ccccc1
CCNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N c1ccc(cc1)[*:1] CCNc1oc(nc1C#N)-c1ccc(cc1)OC[*:1]
CCNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N c1ccc(cc1)C[*:1] CCNc1oc(nc1C#N)-c1ccc(cc1)O[*:1]
CCNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N c1ccc(cc1)CO[*:1] CCNc1oc(nc1C#N)-c1ccc(cc1)[*:1]
Cc1cnc(C[S@](=O)Cc2cc(-c3ccccc3)on2)o1 Cc1cnc(o1)[*:1] O=[S@](Cc1cc(on1)-c1ccccc1)C[*:1]
Cc1cnc(C[S@](=O)Cc2cc(-c3ccccc3)on2)o1 c1ccc(cc1)[*:1] Cc1cnc(C[S@](=O)Cc2cc(on2)[*:1])o1
Cc1cnc(C[S@](=O)Cc2cc(-c3ccccc3)on2)o1 Cc1cnc(C[*:1])o1 O=[S@](Cc1cc(on1)-c1ccccc1)[*:1]
C#C[C@H](C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C#C[C@H](C)OC(=O)c1ccc(Br)cc1[*:1]
Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NC3CCCCC3)n2)o1 C1CCC(CC1)[*:1] Cc1ccc(o1)-c1cc(N)c(=O)n(n1)[C@H](C)C(=O)N[*:1]
Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NC3CCCCC3)n2)o1 Cc1ccc(o1)[*:1] C[C@H](C(=O)NC1CCCCC1)n1nc(cc(N)c1=O)[*:1]
Oc1ccc(CC[NH2+]C[C@H](c2ccc(O)cc2)C2(O)CCCCC2)cc1 OC1(CCCCC1)[*:1] Oc1ccc(cc1)CC[NH2+]C[C@H](c1ccc(O)cc1)[*:1]
Oc1ccc(CC[NH2+]C[C@H](c2ccc(O)cc2)C2(O)CCCCC2)cc1 Oc1ccc(cc1)C[*:1] Oc1ccc(cc1)[C@@H](C[NH2+]C[*:1])C1(O)CCCCC1
Oc1ccc(CC[NH2+]C[C@H](c2ccc(O)cc2)C2(O)CCCCC2)cc1 Oc1ccc(cc1)[*:1] Oc1ccc(cc1)[C@@H](C[NH2+]CC[*:1])C1(O)CCCCC1
Oc1ccc(CC[NH2+]C[C@H](c2ccc(O)cc2)C2(O)CCCCC2)cc1 Oc1ccc(cc1)[*:1] Oc1ccc(cc1)CC[NH2+]C[C@H](C1(O)CCCCC1)[*:1]
C[NH+](C)CCn1ccc(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)n1 CC(C)(C)[*:1] C[NH+](C)CCn1ccc(n1)NC(=O)c1cc(ccc1F)NC(=O)[*:1]
C[NH+](C)CCn1ccc(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)n1 CC(C)(C)C(=O)N[*:1] C[NH+](C)CCn1ccc(n1)NC(=O)c1cc(ccc1F)[*:1]
CCc1ccsc1Cn1cccc1C(=O)[O-] O=C([O-])[*:1] CCc1ccsc1Cn1cccc1[*:1]
CC[C@H](C)S(=O)(=O)N[C@H](c1ccc(OC)cc1)C1CCOCC1 C1CC(CCO1)[*:1] CC[C@H](C)S(=O)(=O)N[C@H](c1ccc(cc1)OC)[*:1]
CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@H]2CCCC2(C)C)c1 CC1(C)CCC[C@@H]1[*:1] CC[C@@H]([NH3+])c1cccc(c1)S(=O)(=O)N[*:1]
COc1ccc(O)c(C(=O)N[C@H](C)CCc2ccc(O)cc2)c1 Oc1ccc(cc1)[*:1] COc1ccc(O)c(c1)C(=O)N[C@H](C)CC[*:1]
CCOc1ccc([C@@H](C[NH3+])N(C)[C@@H]2CCSC2)cc1 CCO[*:1] CN([C@H](C[NH3+])c1ccc(cc1)[*:1])[C@@H]1CCSC1
CCOc1ccc([C@@H](C[NH3+])N(C)[C@@H]2CCSC2)cc1 C1C[C@H](CS1)[*:1] CCOc1ccc(cc1)[C@@H](C[NH3+])N(C)[*:1]
Cc1cnc(NC(=O)c2ccc(Oc3ccc(F)cc3Br)nc2)s1 Fc1ccc(c(Br)c1)[*:1] Cc1cnc(NC(=O)c2ccc(nc2)O[*:1])s1
Cc1cnc(NC(=O)c2ccc(Oc3ccc(F)cc3Br)nc2)s1 Cc1cnc(s1)[*:1] O=C(N[*:1])c1ccc(nc1)Oc1ccc(F)cc1Br
CN(C(=O)Nc1cnn(C(C)(C)C)c1)[C@@H]1CCCc2c1cnn2C CC(C)(C)[*:1] CN(C(=O)Nc1cnn(c1)[*:1])[C@@H]1CCCc2c1cnn2C
CCc1nn(C)cc1CNC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 CCc1nn(C)cc1[*:1] COc1cccc(c1)N1CCC[C@@H](C1)NC(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 COc1cccc(c1)[*:1] CCc1nn(C)cc1CNC(=O)N[C@H]1CCCN(C1)[*:1]
CCc1nn(C)cc1CNC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 CCc1nn(C)cc1C[*:1] COc1cccc(c1)N1CCC[C@@H](C1)NC(=O)N[*:1]
COC(=O)c1ccc([C@@H]2NC(=O)c3oc4cc(C)c(Cl)cc4c(=O)c32)cc1 COC(=O)[*:1] Cc1cc2oc3C(=O)N[C@@H](c4ccc(cc4)[*:1])c3c(=O)c2cc1Cl
Cc1cc(OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl c1csc(c1)C[*:1] Cc1cc(cc(C)c1Cl)OCC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] O=C(CO[*:1])N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1
Cc1cc(OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl c1csc(c1)[*:1] Cc1cc(cc(C)c1Cl)OCC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C1[C@@H](NCc2cc(F)ccc2Br)CCN1C1CCCCC1 C1CCC(CC1)[*:1] O=C1[C@H](CCN1[*:1])NCc1cc(F)ccc1Br
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2S(C)(=O)=O)cc1F Cc1ccc(cc1F)[*:1] C[C@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2S(C)(=O)=O)cc1F CS(=O)(=O)[*:1] Cc1ccc(cc1F)NC(=O)[C@H](C)OC(=O)c1ccccc1[*:1]
COc1cccc([C@H](CO)NC(=O)c2cc(C)nc3ccc(OC)cc23)c1 COc1cccc(c1)[*:1] COc1ccc2nc(C)cc(C(=O)N[C@@H](CO)[*:1])c2c1
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCc2c(F)ccc(F)c2C1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCc2c(F)ccc(F)c2C1
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCc2c(F)ccc(F)c2C1 CC(C)(C)C(=O)N[*:1] C[C@@H](C(=O)N1CCc2c(F)ccc(F)c2C1)[*:1]
CNC(=O)[C@H](C)Oc1ccc(C[NH2+]C(C)C)cc1[N+](=O)[O-] CNC(=O)[C@H](C)O[*:1] CC(C)[NH2+]Cc1ccc(c(c1)[N+](=O)[O-])[*:1]
CNC(=O)[C@H](C)Oc1ccc(C[NH2+]C(C)C)cc1[N+](=O)[O-] CNC(=O)[*:1] CC(C)[NH2+]Cc1ccc(O[C@@H](C)[*:1])c(c1)[N+](=O)[O-]
CNC(=O)[C@H](C)Oc1ccc(C[NH2+]C(C)C)cc1[N+](=O)[O-] CC(C)[*:1] CNC(=O)[C@H](C)Oc1ccc(cc1[N+](=O)[O-])C[NH2+][*:1]
CNC(=O)[C@H](C)Oc1ccc(C[NH2+]C(C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNC(=O)[C@H](C)Oc1ccc(cc1[*:1])C[NH2+]C(C)C
CNC(=O)[C@H](C)Oc1ccc(C[NH2+]C(C)C)cc1[N+](=O)[O-] CNC(=O)[C@H](C)[*:1] CC(C)[NH2+]Cc1ccc(O[*:1])c(c1)[N+](=O)[O-]
Cc1cc(=O)n2nc(-c3ccccc3)nc2n1CC(=O)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] Cc1cc(=O)n2nc(nc2n1CC(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
Cc1cc(=O)n2nc(-c3ccccc3)nc2n1CC(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1cc(=O)n2nc(nc2n1CC(=O)N[*:1])-c1ccccc1
Cc1cc(=O)n2nc(-c3ccccc3)nc2n1CC(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(=O)n2nc(nc2n1CC(=O)Nc1cccc(c1)[*:1])-c1ccccc1
CC[C@@H]1CCC[C@@H]([C@H](O)c2cncn2C(C)C)C1 CC(C)[*:1] CC[C@@H]1CCC[C@H](C1)[C@H](O)c1cncn1[*:1]
CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C CCO[*:1] Cc1cc(c(cc1Cl)S(=O)(=O)N[C@@H]1CCCC[C@H]1C)[*:1]
Cc1ccnn1-c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 c1ccc2sc(nc2c1)[*:1] Cc1ccnn1-c1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccnn1-c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 Cc1ccnn1[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@@H](C1)c1nc2ccccc2s1
CS(=O)(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)c2ccc(N)nc2)C1 Nc1ccc(cn1)[*:1] CS(=O)(=O)N1C[C@H](C2CC2)[C@H](C1)NC(=O)[*:1]
CS(=O)(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)c2ccc(N)nc2)C1 C1CC1[*:1] CS(=O)(=O)N1C[C@H]([C@H](C1)NC(=O)c1ccc(N)nc1)[*:1]
C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)CCc1cccc(c1)[*:1])[C@H]1CCCO1
C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)CCc1cccc(c1)[N+](=O)[O-])[*:1]
CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cn(C)cn2)C12CCCC2 CCO[*:1] CN([C@@H]1C[C@H](C12CCCC2)[*:1])S(=O)(=O)c1cn(C)cn1
CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cn(C)cn2)C12CCCC2 Cn1cnc(c1)[*:1] CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)[*:1])C12CCCC2
Cc1ccc(SCc2n[nH]c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)SCc1n[nH]c2OC(N)=C(C#N)[C@@H](c12)[*:1]
Cc1ccc(SCc2n[nH]c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]nc(CS[*:1])c2[C@@H]1c1cccs1
Cc1ccc(SCc2n[nH]c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 Cc1ccc(cc1)S[*:1] N#CC1=C(N)Oc2[nH]nc(C[*:1])c2[C@@H]1c1cccs1
Oc1ccccc1NC[C@@H](O)Cn1ccc2ccccc21 Oc1ccccc1[*:1] O[C@H](CN[*:1])Cn1ccc2ccccc21
O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cc(C2CC2)on1 c1c(noc1C1CC1)[*:1] O=C(Nc1cccc(c1)OCc1ccc(F)cc1)[*:1]
O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cc(C2CC2)on1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)OC[*:1])c1cc(on1)C1CC1
O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cc(C2CC2)on1 Fc1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)O[*:1])c1cc(on1)C1CC1
O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cc(C2CC2)on1 C1CC1[*:1] O=C(Nc1cccc(c1)OCc1ccc(F)cc1)c1cc(on1)[*:1]
CNC(=O)NCC(=O)NCCC(=O)Nc1ccc(Br)cc1 CNC(=O)N[*:1] O=C(C[*:1])NCCC(=O)Nc1ccc(Br)cc1
CNC(=O)NCC(=O)NCCC(=O)Nc1ccc(Br)cc1 CNC(=O)NC[*:1] O=C(CCNC(=O)[*:1])Nc1ccc(Br)cc1
CNC(=O)NCC(=O)NCCC(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CNC(=O)NCC(=O)NCCC(=O)N[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCCN(c2ncccc2F)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(N1CCCN(CC1)c1ncccc1F)[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=S(=O)(c1ccc(F)cc1)N1CCCN(CC1)[*:1]
C[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1ccc(NC(=O)C2CC2)cc1 Clc1ccccc1[*:1] C[C@@H](N(C)C(=O)Cc1ccc(cc1)NC(=O)C1CC1)[*:1]
C[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1ccc(cc1)NC(=O)[*:1]
C[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1ccc(cc1)[*:1]
CC(=O)N1CCc2cc(NC(=O)N(C)CCCOc3ccccc3)ccc21 c1ccc(cc1)OCC[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)N(C)C[*:1]
CC(=O)N1CCc2cc(NC(=O)N(C)CCCOc3ccccc3)ccc21 c1ccc(cc1)O[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)N(C)CCC[*:1]
CC(=O)N1CCc2cc(NC(=O)N(C)CCCOc3ccccc3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)N(C)CCCO[*:1]
CC(=O)N1CCc2cc(NC(=O)N(C)CCCOc3ccccc3)ccc21 c1ccc(cc1)OC[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)N(C)CC[*:1]
O=C(Nc1cnc(C2CC2)nc1)c1cnc([C@@H]2CCCO2)s1 C1CC1[*:1] O=C(Nc1cnc(nc1)[*:1])c1cnc(s1)[C@@H]1CCCO1
CC(C)OCCCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 CC(C)[*:1] N#Cc1ccc(cc1Cl)NC(=O)C(=O)NCCCO[*:1]
CC(C)OCCCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 CC(C)OCC[*:1] N#Cc1ccc(cc1Cl)NC(=O)C(=O)NC[*:1]
CC(C)OCCCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 CC(C)OCCC[*:1] N#Cc1ccc(cc1Cl)NC(=O)C(=O)N[*:1]
CC(C)OCCCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 CC(C)OC[*:1] N#Cc1ccc(cc1Cl)NC(=O)C(=O)NCC[*:1]
CC(C)OCCCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 CC(C)O[*:1] N#Cc1ccc(cc1Cl)NC(=O)C(=O)NCCC[*:1]
COc1ccccc1C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 c1ccc(cc1)[*:1] COc1ccccc1C(=O)N1CCC[C@@H](C1)c1nnc(s1)C(=O)N[*:1]
COc1ccccc1C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 O=C(Nc1ccccc1)[*:1] COc1ccccc1C(=O)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
COc1ccccc1C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 COc1ccccc1[*:1] O=C(Nc1ccccc1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)[*:1]
CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(C)cc(F)c2)cc1 Cc1cc(F)cc(c1)[*:1] CNS(=O)(=O)Cc1ccc(cc1)CNC(=O)[*:1]
CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(C)cc(F)c2)cc1 CNS(=O)(=O)C[*:1] Cc1cc(F)cc(c1)C(=O)NCc1ccc(cc1)[*:1]
CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(C)cc(F)c2)cc1 CNS(=O)(=O)[*:1] Cc1cc(F)cc(c1)C(=O)NCc1ccc(cc1)C[*:1]
CC(C)(C)/[NH+]=C(\N)SCCOc1cccc(C#N)c1 CC(C)(C)[*:1] N#Cc1cccc(c1)OCCSC(N)=[NH+][*:1]
O=C(NCc1ccccc1Cl)[C@H]1CCCN(c2cnccn2)C1 Clc1ccccc1[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1cnccn1
O=C(NCc1ccccc1Cl)[C@H]1CCCN(c2cnccn2)C1 c1cnc(cn1)[*:1] O=C(NCc1ccccc1Cl)[C@H]1CCCN(C1)[*:1]
Cc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccc(cc1)-c1cc[nH]n1
Cc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-] c1cc(n[nH]1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)CCSc1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CCS[*:1]
CC(=O)Nc1cccc(NC(=O)C[NH+](C)Cc2ccc(F)cc2F)c1 CC(=O)N[*:1] C[NH+](CC(=O)Nc1cccc(c1)[*:1])Cc1ccc(F)cc1F
CC(=O)Nc1cccc(NC(=O)C[NH+](C)Cc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)C[NH+](C)C[*:1]
CSCC[C@H](C)N(C)C(=O)NCCC(F)(F)F CSCC[*:1] C[C@H](N(C)C(=O)NCCC(F)(F)F)[*:1]
CSCC[C@H](C)N(C)C(=O)NCCC(F)(F)F FC(F)(F)C[*:1] CSCC[C@H](C)N(C)C(=O)NC[*:1]
CSCC[C@H](C)N(C)C(=O)NCCC(F)(F)F FC(F)(F)[*:1] CSCC[C@H](C)N(C)C(=O)NCC[*:1]
CSCC[C@H](C)N(C)C(=O)NCCC(F)(F)F CSC[*:1] C[C@@H](C[*:1])N(C)C(=O)NCCC(F)(F)F
Cc1cc(Cl)ccc1OCc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)sc1C Cc1cc(Cl)ccc1[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@@H](c3cc(CO[*:1])c(C)s3)c12
Cc1cc(Cl)ccc1OCc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)sc1C Cc1cc(Cl)ccc1O[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@@H](c3cc(C[*:1])c(C)s3)c12
Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 Cc1ccccc1[*:1] Cn1c(cc(=O)n(C)c1=O)C(=O)N1CCC[C@@H](CC[*:1])C1
Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 Cc1ccccc1C[*:1] Cn1c(cc(=O)n(C)c1=O)C(=O)N1CCC[C@H](C1)C[*:1]
Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 Cc1ccccc1CC[*:1] Cn1c(cc(=O)n(C)c1=O)C(=O)N1CCC[C@H](C1)[*:1]
CCCOC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 CCCOC(=O)[*:1] FC(F)(F)COc1cc(nc2ccccc12)[*:1]
CCCOC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)[*:1] CCCOC(=O)c1cc(OC[*:1])c2ccccc2n1
CCCOC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 CCC[*:1] O=C(O[*:1])c1cc(OCC(F)(F)F)c2ccccc2n1
CCCOC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)CO[*:1] CCCOC(=O)c1cc(c2ccccc2n1)[*:1]
CCCOC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)C[*:1] CCCOC(=O)c1cc(O[*:1])c2ccccc2n1
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2SCC)sc2c1CCCCC2 CCS[*:1] CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2[*:1])sc2CCCCCc21
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2SCC)sc2c1CCCCC2 CCSc1ccccc1[*:1] CCOC(=O)NC(=O)c1c(NC(=O)[*:1])sc2CCCCCc21
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2SCC)sc2c1CCCCC2 CCOC(=O)NC(=O)[*:1] CCSc1ccccc1C(=O)Nc1sc2CCCCCc2c1[*:1]
O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)c(c1)[*:1]
O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(C=C[*:1])NC(=S)Nc1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 C(=C[*:1])c1ccccc1 O=C(NC(=S)Nc1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 CCn1cnnc1[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(Cc2ccccn2)C1
CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 CCn1cnnc1C[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(Cc2ccccn2)C1
C[C@@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] C[C@@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)[*:1]
CC(C)CC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC(C)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)C[*:1]
CC(C)CC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC(C)C[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)[*:1]
CC(C)CC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC(C)CC(=O)Nc1ccc(F)c(c1)[*:1]
COC1CC[NH+](CCNC(=O)Nc2cccnc2)CC1 c1cncc(c1)[*:1] COC1CC[NH+](CCNC(=O)N[*:1])CC1
C[NH+](C)[C@@H]1CC[C@H](NC(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)C1 CC(C)(C)NS(=O)(=O)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)Nc1cccc(c1)C[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)C1 CC(C)(C)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)Nc1cccc(c1)CS(=O)(=O)N[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)C1 CC(C)(C)NS(=O)(=O)C[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)n(Cc2cccc(NC(=O)C(=O)NCCc3cccc(F)c3)c2)n1 Fc1cccc(c1)[*:1] Cc1cc(C)n(Cc2cccc(c2)NC(=O)C(=O)NCC[*:1])n1
Cc1cc(C)n(Cc2cccc(NC(=O)C(=O)NCCc3cccc(F)c3)c2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCCc1cccc(F)c1)C(=O)Nc1cccc(c1)C[*:1]
Cc1cc(C)n(Cc2cccc(NC(=O)C(=O)NCCc3cccc(F)c3)c2)n1 Fc1cccc(c1)CC[*:1] Cc1cc(C)n(Cc2cccc(c2)NC(=O)C(=O)N[*:1])n1
Cc1cc(C)n(Cc2cccc(NC(=O)C(=O)NCCc3cccc(F)c3)c2)n1 Fc1cccc(c1)C[*:1] Cc1cc(C)n(Cc2cccc(c2)NC(=O)C(=O)NC[*:1])n1
Cc1cc(C)n(Cc2cccc(NC(=O)C(=O)NCCc3cccc(F)c3)c2)n1 Cc1cc(C)n(C[*:1])n1 O=C(NCCc1cccc(F)c1)C(=O)Nc1cccc(c1)[*:1]
COc1ccc([C@H]2[C@@H]3SC(=O)N=C3S[C@@H](C(=O)[O-])[C@@H]2C(=O)c2cccc3c2CCCC3)cc1 COc1ccc(cc1)[*:1] O=C1N=C2S[C@@H](C(=O)[O-])[C@H](C(=O)c3cccc4CCCCc43)[C@H]([C@@H]2S1)[*:1]
COc1ccc([C@H]2[C@@H]3SC(=O)N=C3S[C@@H](C(=O)[O-])[C@@H]2C(=O)c2cccc3c2CCCC3)cc1 c1cc2CCCCc2c(c1)[*:1] COc1ccc(cc1)[C@H]1[C@@H]2SC(=O)N=C2S[C@@H](C(=O)[O-])[C@@H]1C(=O)[*:1]
C[C@@H](NC(=O)N(C)Cc1cccc2ccccc12)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)N(C)Cc1cccc2ccccc12)[*:1]
C=CCn1c([C@H](C)NC(=O)COc2cc(C)ccc2C)nc2ccccc21 Cc1ccc(C)c(c1)[*:1] C=CCn1c(nc2ccccc21)[C@H](C)NC(=O)CO[*:1]
C=CCn1c([C@H](C)NC(=O)COc2cc(C)ccc2C)nc2ccccc21 Cc1ccc(C)c(c1)O[*:1] C=CCn1c(nc2ccccc21)[C@H](C)NC(=O)C[*:1]
C=CCn1c([C@H](C)NC(=O)COc2cc(C)ccc2C)nc2ccccc21 C=CC[*:1] Cc1ccc(C)c(c1)OCC(=O)N[C@@H](C)c1nc2ccccc2n1[*:1]
COc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)C[NH+](C)CC(=O)N[*:1]
COc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2)cc1 COc1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1ccccc1)CC(=O)N[*:1]
O=CN1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 Fc1ccc(cc1)[*:1] O=CN1CC[NH+](CC1)[C@H]1CC(=O)N(C1=O)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)CO/N=C(/N)[C@H]1CCOC1 c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)CO/N=C(/N)[C@H]1CCOC1)[*:1]
COc1ccccc1CNC(=O)c1nc(COc2ccc3c(c2)N=C(O)CC3)no1 COc1ccccc1[*:1] O=C(NC[*:1])c1nc(COc2ccc3CCC(O)=Nc3c2)no1
COc1ccccc1CNC(=O)c1nc(COc2ccc3c(c2)N=C(O)CC3)no1 COc1ccccc1C[*:1] O=C(N[*:1])c1nc(COc2ccc3CCC(O)=Nc3c2)no1
O=C(c1ccc(F)cc1)c1ccc(OCC(=O)N2CCc3ccccc32)cc1 O=C(c1ccc(F)cc1)[*:1] O=C(COc1ccc(cc1)[*:1])N1CCc2ccccc21
O=C(c1ccc(F)cc1)c1ccc(OCC(=O)N2CCc3ccccc32)cc1 Fc1ccc(cc1)[*:1] O=C(COc1ccc(cc1)C(=O)[*:1])N1CCc2ccccc21
Cn1ncc2c(=O)n(CC(=O)OC3CCCC3)cnc21 C1CCC(C1)[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)O[*:1]
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc(CO)o2)CC1 OCc1ccc(C[*:1])o1 O=C(COc1ccc(Cl)cc1)N1CCN(CC1)[*:1]
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc(CO)o2)CC1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)Cc1ccc(CO)o1
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc(CO)o2)CC1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccc(CO)o1
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc(CO)o2)CC1 OCc1ccc(o1)[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
O=C(Cl)c1cc([N+](=O)[O-])cc2nc(-c3ccc(Cl)cc3)oc12 Clc1ccc(cc1)[*:1] O=C(Cl)c1cc(cc2nc(oc12)[*:1])[N+](=O)[O-]
O=C(Cl)c1cc([N+](=O)[O-])cc2nc(-c3ccc(Cl)cc3)oc12 O=C(Cl)[*:1] O=[N+]([O-])c1cc(c2oc(nc2c1)-c1ccc(Cl)cc1)[*:1]
O=C(Cl)c1cc([N+](=O)[O-])cc2nc(-c3ccc(Cl)cc3)oc12 O=[N+]([O-])[*:1] O=C(Cl)c1cc(cc2nc(oc12)-c1ccc(Cl)cc1)[*:1]
CCC[C@@H]1CNc2ccc(Br)cc2NC1=O CCC[*:1] O=C1Nc2cc(Br)ccc2NC[C@H]1[*:1]
COc1ccccc1COC1CCN(C(=O)c2c(C)nn(C)c2C)CC1 Cc1nn(C)c(C)c1[*:1] COc1ccccc1COC1CCN(CC1)C(=O)[*:1]
COc1ccccc1COC1CCN(C(=O)c2c(C)nn(C)c2C)CC1 COc1ccccc1[*:1] Cc1nn(C)c(C)c1C(=O)N1CCC(CC1)OC[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc(-c2cccnc2)n[nH]1 CC(C)[*:1] C[C@H](Sc1nc(n[nH]1)-c1cccnc1)C(=O)Nc1ccnn1[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc(-c2cccnc2)n[nH]1 CC(C)n1nccc1[*:1] C[C@H](Sc1nc(n[nH]1)-c1cccnc1)C(=O)N[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc(-c2cccnc2)n[nH]1 c1cncc(c1)[*:1] CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc(n[nH]1)[*:1]
CCCN1C(=O)NC(=N)[C@@]1(CC)C[C@@H](C)CC CCC[*:1] CC[C@H](C)C[C@]1(CC)C(=N)NC(=O)N1[*:1]
CCCN1C(=O)NC(=N)[C@@]1(CC)C[C@@H](C)CC CC[C@H](C)C[*:1] CCCN1C(=O)NC(=N)[C@]1(CC)[*:1]
CCCN1C(=O)NC(=N)[C@@]1(CC)C[C@@H](C)CC CC[C@H](C)[*:1] CCCN1C(=O)NC(=N)[C@@]1(CC)C[*:1]
O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCN(CC2CC2)CC1 c1nnnn1[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCN(CC1)CC1CC1
O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCN(CC2CC2)CC1 C1CC1[*:1] O=S(=O)(c1cccc(c1)-n1cnnn1)N1CCN(CC1)C[*:1]
O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCN(CC2CC2)CC1 C1CC1C[*:1] O=S(=O)(c1cccc(c1)-n1cnnn1)N1CCN(CC1)[*:1]
C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 C[C@H](c1cccc(O)c1)[*:1] CN(C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)[*:1]
C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 Oc1cccc(c1)[*:1] C[C@H](N(C)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)[*:1]
C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@@H](N1CCOCC1)[*:1]
C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@@H](c1ccccc1)[*:1]
Cc1ccc([C@@H]2CSCCN2Cc2nc(-c3ccsc3)no2)o1 Cc1ccc(o1)[*:1] c1cc(cs1)-c1noc(CN2CCSC[C@H]2[*:1])n1
Cc1ccc([C@@H]2CSCCN2Cc2nc(-c3ccsc3)no2)o1 c1cc(cs1)[*:1] Cc1ccc(o1)[C@@H]1CSCCN1Cc1nc(no1)[*:1]
CC[C@H](O)C[C@H]1C[C@H](C(C)C)CCC1=O CC(C)[*:1] CC[C@H](O)C[C@H]1C[C@H](CCC1=O)[*:1]
CC[C@H](O)C[C@H]1C[C@H](C(C)C)CCC1=O CC[C@H](O)[*:1] CC(C)[C@@H]1CCC(=O)[C@H](C1)C[*:1]
CC[C@H](O)C[C@H]1C[C@H](C(C)C)CCC1=O CC[C@H](O)C[*:1] CC(C)[C@@H]1CCC(=O)[C@H](C1)[*:1]
CC(C)(C)c1ccc(=O)n(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 FC(F)(F)[*:1] CC(C)(C)c1ccc(=O)n(Cc2nc(no2)-c2cccc(c2)[*:1])n1
CC(C)(C)c1ccc(=O)n(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 CC(C)(C)[*:1] O=c1ccc(nn1Cc1nc(no1)-c1cccc(c1)C(F)(F)F)[*:1]
CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CC(C)[*:1] C[NH+](C)C[C@@H](C[*:1])NC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CC(C)C[*:1] C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CN(C)NC(=O)c1ccsc1NC(=O)c1cccs1 CN(C)NC(=O)[*:1] O=C(Nc1sccc1[*:1])c1cccs1
CN(C)NC(=O)c1ccsc1NC(=O)c1cccs1 c1csc(c1)[*:1] CN(C)NC(=O)c1ccsc1NC(=O)[*:1]
COc1cccc(NC(=O)NCCc2csc(-c3cccc(F)c3)n2)c1OC Fc1cccc(c1)[*:1] COc1cccc(NC(=O)NCCc2csc(n2)[*:1])c1OC
CCCS(=O)(=O)[C@H](C)C(=O)N(C)C1c2ccccc2-c2ccccc21 CCC[*:1] C[C@H](C(=O)N(C)C1c2ccccc2-c2ccccc21)S(=O)(=O)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N(C)C1c2ccccc2-c2ccccc21 CCCS(=O)(=O)[*:1] C[C@H](C(=O)N(C)C1c2ccccc2-c2ccccc21)[*:1]
COc1cc(-c2cccc(-c3cc[nH]n3)c2)ncn1 c1cc(n[nH]1)[*:1] COc1cc(ncn1)-c1cccc(c1)[*:1]
N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nc1N c1ccc(cc1)[*:1] N#Cc1cc(C#N)c(nc1N)SCC(=O)Nc1ccc(cc1)[*:1]
CSCC[C@@H](C)NC(=O)Nc1cccn(Cc2ccccc2)c1=O CSCC[*:1] C[C@@H](NC(=O)Nc1cccn(Cc2ccccc2)c1=O)[*:1]
CSCC[C@@H](C)NC(=O)Nc1cccn(Cc2ccccc2)c1=O CSC[*:1] C[C@H](C[*:1])NC(=O)Nc1cccn(Cc2ccccc2)c1=O
CSCC[C@@H](C)NC(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] CSCC[C@@H](C)NC(=O)Nc1cccn(C[*:1])c1=O
CSCC[C@@H](C)NC(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] CSCC[C@@H](C)NC(=O)Nc1cccn(c1=O)[*:1]
O=S(=O)(NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)(NCCN1CCOCC1)c1ccc(Cl)c(c1)[*:1]
O=S(=O)(NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 C1CN(CCO1)C[*:1] O=S(=O)(NC[*:1])c1ccc(Cl)c(c1)C(F)(F)F
O=S(=O)(NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 C1CN(CCO1)[*:1] O=S(=O)(NCC[*:1])c1ccc(Cl)c(c1)C(F)(F)F
CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] CCOC(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)NCCc1cccc(O)c1 Oc1cccc(c1)[*:1] CN(CC(F)(F)F)C(=O)CNC(=O)NCC[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)NCCc1cccc(O)c1 FC(F)(F)C[*:1] CN(C(=O)CNC(=O)NCCc1cccc(O)c1)[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)NCCc1cccc(O)c1 FC(F)(F)[*:1] CN(C[*:1])C(=O)CNC(=O)NCCc1cccc(O)c1
COc1ccc2[nH]cc(CC(=O)NCc3ccc(F)c(Cl)c3)c2c1 Fc1ccc(cc1Cl)[*:1] COc1ccc2[nH]cc(CC(=O)NC[*:1])c2c1
OCC1CCC2(CC1)C[NH+](Cc1ccsc1)Cc1ccccc1O2 c1cc(cs1)[*:1] OCC1CCC2(CC1)C[NH+](Cc1ccccc1O2)C[*:1]
OCC1CCC2(CC1)C[NH+](Cc1ccsc1)Cc1ccccc1O2 c1cc(cs1)C[*:1] OCC1CCC2(CC1)C[NH+](Cc1ccccc1O2)[*:1]
CCOC(=O)c1sc2nc(CSc3ccccc3Br)nc(N)c2c1C CCOC(=O)[*:1] Cc1c(sc2nc(CSc3ccccc3Br)nc(N)c12)[*:1]
CCOC(=O)c1sc2nc(CSc3ccccc3Br)nc(N)c2c1C Brc1ccccc1S[*:1] CCOC(=O)c1sc2nc(C[*:1])nc(N)c2c1C
CCOC(=O)c1sc2nc(CSc3ccccc3Br)nc(N)c2c1C Brc1ccccc1[*:1] CCOC(=O)c1sc2nc(CS[*:1])nc(N)c2c1C
C[C@H](CCc1ccccc1F)C(=O)N(C)Cc1[nH+]ccn1C Fc1ccccc1[*:1] C[C@H](CC[*:1])C(=O)N(C)Cc1[nH+]ccn1C
CCN(CCO)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 OCC[*:1] CCN(C(=O)Nc1ccc(C)c(c1)-n1cnnn1)[*:1]
CCN(CCO)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 c1nnnn1[*:1] CCN(CCO)C(=O)Nc1ccc(C)c(c1)[*:1]
NC(=O)c1nc(-c2ccc(Br)cc2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1 Brc1ccc(cc1)[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2-c1cccc(Cl)c1)[*:1]
NC(=O)c1nc(-c2ccc(Br)cc2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1 NC(=O)[*:1] O=c1[nH]c2c(nc(nc2n1-c1cccc(Cl)c1)-c1ccc(Br)cc1)[*:1]
NC(=O)c1nc(-c2ccc(Br)cc2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2[*:1])-c1ccc(Br)cc1
CCCSCC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 CCCS[*:1] O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C1)C(=O)C[*:1]
CCCSCC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 CCC[*:1] O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C1)C(=O)CS[*:1]
CCCSCC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCCSCC(=O)N1CC[C@@H](C1)NC(=O)N[*:1]
CCCSCC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 CCCSC[*:1] O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C1)C(=O)[*:1]
O=C(Nc1nncs1)c1cn(Cc2ccccc2)c2ccccc12 c1ccc(cc1)[*:1] O=C(Nc1nncs1)c1cn(C[*:1])c2ccccc12
O=C(Nc1nncs1)c1cn(Cc2ccccc2)c2ccccc12 c1nnc(s1)[*:1] O=C(N[*:1])c1cn(Cc2ccccc2)c2ccccc12
O=C(Nc1nncs1)c1cn(Cc2ccccc2)c2ccccc12 c1ccc(cc1)C[*:1] O=C(Nc1nncs1)c1cn(c2ccccc12)[*:1]
O=C(Nc1nncs1)c1cn(Cc2ccccc2)c2ccccc12 O=C(Nc1nncs1)[*:1] c1ccc(cc1)Cn1cc(c2ccccc21)[*:1]
Cc1nc(C[NH+]2CCC(C(=O)NCCOc3ccc(F)c(F)c3)CC2)cs1 Fc1ccc(cc1F)O[*:1] Cc1nc(cs1)C[NH+]1CCC(CC1)C(=O)NCC[*:1]
Cc1nc(C[NH+]2CCC(C(=O)NCCOc3ccc(F)c(F)c3)CC2)cs1 Fc1ccc(cc1F)[*:1] Cc1nc(cs1)C[NH+]1CCC(CC1)C(=O)NCCO[*:1]
Cc1nc(C[NH+]2CCC(C(=O)NCCOc3ccc(F)c(F)c3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(NCCOc1ccc(F)c(F)c1)C1CC[NH+](CC1)C[*:1]
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1N(C)C CN(C)[*:1] Cc1ccc(cc1[*:1])NS(=O)(=O)c1ccc2S[C@@H](C)CC(=O)Nc2c1
C[C@@H](C(=O)N(C)CCC#N)n1cnc2c1c(=O)n(C)c(=O)n2C N#CC[*:1] C[C@@H](C(=O)N(C)C[*:1])n1cnc2c1c(=O)n(C)c(=O)n2C
C[C@@H](C(=O)N(C)CCC#N)n1cnc2c1c(=O)n(C)c(=O)n2C N#CCC[*:1] C[C@@H](C(=O)N(C)[*:1])n1cnc2c1c(=O)n(C)c(=O)n2C
CC[C@H](NC(=O)c1ccccc1SCC=C(C)C)c1nccs1 CC(C)=C[*:1] CC[C@H](NC(=O)c1ccccc1SC[*:1])c1nccs1
CC[C@H](NC(=O)c1ccccc1SCC=C(C)C)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)c1ccccc1SCC=C(C)C)[*:1]
CC[C@H](NC(=O)c1ccccc1SCC=C(C)C)c1nccs1 CC(C)=CCS[*:1] CC[C@H](NC(=O)c1ccccc1[*:1])c1nccs1
CC[C@H](NC(=O)c1ccccc1SCC=C(C)C)c1nccs1 CC(C)=CC[*:1] CC[C@H](NC(=O)c1ccccc1S[*:1])c1nccs1
Cn1cc(C(=O)NCc2cccc(OCC(N)=O)c2)ccc1=O NC(=O)CO[*:1] Cn1cc(ccc1=O)C(=O)NCc1cccc(c1)[*:1]
Cn1cc(C(=O)NCc2cccc(OCC(N)=O)c2)ccc1=O NC(=O)C[*:1] Cn1cc(ccc1=O)C(=O)NCc1cccc(c1)O[*:1]
Cn1cc(C(=O)NCc2cccc(OCC(N)=O)c2)ccc1=O NC(=O)[*:1] Cn1cc(ccc1=O)C(=O)NCc1cccc(c1)OC[*:1]
CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C)C2)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)N1CCO[C@@H](C)C1)[*:1]
O=C(CSc1nnc2ccc(-c3ccco3)nn12)c1cccs1 O=C(c1cccs1)[*:1] c1coc(c1)-c1ccc2nnc(SC[*:1])n2n1
O=C(CSc1nnc2ccc(-c3ccco3)nn12)c1cccs1 c1coc(c1)[*:1] O=C(CSc1nnc2ccc(nn12)[*:1])c1cccs1
O=C(CSc1nnc2ccc(-c3ccco3)nn12)c1cccs1 c1csc(c1)[*:1] O=C(CSc1nnc2ccc(nn12)-c1ccco1)[*:1]
O=C(Nc1cccc(OCCn2cccn2)c1)c1ccc(C(F)(F)F)nc1[O-] c1cnn(c1)CC[*:1] O=C(Nc1cccc(c1)O[*:1])c1ccc(nc1[O-])C(F)(F)F
O=C(Nc1cccc(OCCn2cccn2)c1)c1ccc(C(F)(F)F)nc1[O-] FC(F)(F)[*:1] O=C(Nc1cccc(c1)OCCn1cccn1)c1ccc(nc1[O-])[*:1]
O=C(Nc1cccc(OCCn2cccn2)c1)c1ccc(C(F)(F)F)nc1[O-] c1cnn(c1)C[*:1] O=C(Nc1cccc(c1)OC[*:1])c1ccc(nc1[O-])C(F)(F)F
O=C(Nc1cccc(OCCn2cccn2)c1)c1ccc(C(F)(F)F)nc1[O-] c1cnn(c1)CCO[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(nc1[O-])C(F)(F)F
O=C(Nc1cccc(OCCn2cccn2)c1)c1ccc(C(F)(F)F)nc1[O-] c1cnn(c1)[*:1] O=C(Nc1cccc(c1)OCC[*:1])c1ccc(nc1[O-])C(F)(F)F
Cc1nc(N)cc([C@@H]2CN(C(=O)c3scnc3C)CCO2)n1 Cc1ncsc1[*:1] Cc1nc(N)cc(n1)[C@@H]1CN(CCO1)C(=O)[*:1]
Cc1cccc(CS(=O)(=O)NCCn2nc(C)cc2C)c1 Cc1cccc(c1)[*:1] Cc1cc(C)n(CCNS(=O)(=O)C[*:1])n1
Cc1cccc(CS(=O)(=O)NCCn2nc(C)cc2C)c1 Cc1cc(C)n(n1)[*:1] Cc1cccc(c1)CS(=O)(=O)NCC[*:1]
Cc1cc(OC(=O)c2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccncc1)O2 Fc1ccc(cc1)[*:1] Cc1cc(cc2O/C(=C\c3ccncc3)C(=O)c12)OC(=O)[*:1]
Cc1cc(OC(=O)c2ccc(F)cc2)cc2c1C(=O)/C(=C/c1ccncc1)O2 c1cc(ccn1)[*:1] Cc1cc(cc2OC(=C[*:1])C(=O)c12)OC(=O)c1ccc(F)cc1
COc1ccc(NC2=NC(=O)[C@@H](CC(=O)Nc3ccc4c(c3)OCCO4)N2)cc1 COc1ccc(cc1)[*:1] O=C(C[C@H]1NC(=NC1=O)N[*:1])Nc1ccc2OCCOc2c1
N[C@H](c1cc(F)c(F)cc1C(=O)[O-])C(F)(F)F O=C([O-])[*:1] N[C@H](c1cc(F)c(F)cc1[*:1])C(F)(F)F
N[C@H](c1cc(F)c(F)cc1C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] N[C@H](c1cc(F)c(F)cc1C(=O)[O-])[*:1]
Cc1ccccc1NCc1noc(Cc2ccc(Br)cc2)n1 Cc1ccccc1[*:1] Brc1ccc(cc1)Cc1nc(CN[*:1])no1
Cc1ccccc1NCc1noc(Cc2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] Cc1ccccc1NCc1noc(C[*:1])n1
Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)N1CCCCCCC1 Cc1noc(C)c1[*:1] CN(CC(=O)N1CCCCCCC1)S(=O)(=O)[*:1]
Nc1cccc(-c2nc(CCNc3cccc(C(F)(F)F)c3)n[nH]2)c1 FC(F)(F)[*:1] Nc1cccc(c1)-c1nc(CCNc2cccc(c2)[*:1])n[nH]1
Nc1cccc(-c2nc(CCNc3cccc(C(F)(F)F)c3)n[nH]2)c1 Nc1cccc(c1)[*:1] FC(F)(F)c1cccc(c1)NCCc1n[nH]c(n1)[*:1]
CCOC(=O)CS[C@H](C)C(=O)Nc1cc(C)ccc1C CCOC(=O)C[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](C)S[*:1]
CCOC(=O)CS[C@H](C)C(=O)Nc1cc(C)ccc1C CCOC(=O)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](C)SC[*:1]
Cc1cccc(C(=O)NCC(=O)OC2CCCCC2)c1C C1CCC(CC1)[*:1] Cc1cccc(C(=O)NCC(=O)O[*:1])c1C
Cc1ocnc1CNC(=O)NCc1[nH+]ccn1CC(C)C Cc1ocnc1C[*:1] CC(C)Cn1cc[nH+]c1CNC(=O)N[*:1]
Cc1ocnc1CNC(=O)NCc1[nH+]ccn1CC(C)C CC(C)C[*:1] Cc1ocnc1CNC(=O)NCc1[nH+]ccn1[*:1]
Cc1ocnc1CNC(=O)NCc1[nH+]ccn1CC(C)C Cc1ocnc1[*:1] CC(C)Cn1cc[nH+]c1CNC(=O)NC[*:1]
Cc1ocnc1CNC(=O)NCc1[nH+]ccn1CC(C)C CC(C)[*:1] Cc1ocnc1CNC(=O)NCc1[nH+]ccn1C[*:1]
CC[C@H]1CCc2c(sc3ncn4nc(-c5cc(C(F)(F)F)nn5C)nc4c23)C1 FC(F)(F)[*:1] CC[C@H]1CCc2c(C1)sc1ncn3nc(nc3c21)-c1cc(nn1C)[*:1]
Cc1cc(S(=O)(=O)NCC2CCC(C(N)=O)CC2)sc1C NC(=O)[*:1] Cc1cc(sc1C)S(=O)(=O)NCC1CCC(CC1)[*:1]
Cc1cc(S(=O)(=O)NCC2CCC(C(N)=O)CC2)sc1C Cc1cc(sc1C)[*:1] NC(=O)C1CCC(CC1)CNS(=O)(=O)[*:1]
CCN(CC)C(=O)N(Cc1cccc(N)c1)C(C)C CC(C)[*:1] CCN(CC)C(=O)N(Cc1cccc(N)c1)[*:1]
Cc1noc(C(C)C)c1C(=O)NC[C@H]1COc2ccccc2C1 CC(C)[*:1] Cc1noc(c1C(=O)NC[C@H]1COc2ccccc2C1)[*:1]
Cc1cc(F)ccc1S(=O)(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] Cc1cc(F)ccc1S(=O)(=O)NCC(C)(C)[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)CCc2ccc(C)o2)cc1 Cc1ccc(CC[*:1])o1 CC[C@H](C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)CCc2ccc(C)o2)cc1 CC[C@H](C)NC(=O)[*:1] Cc1ccc(CCC(=O)Nc2ccc(cc2)[*:1])o1
CC[C@H](C)NC(=O)c1ccc(NC(=O)CCc2ccc(C)o2)cc1 Cc1ccc(C[*:1])o1 CC[C@H](C)NC(=O)c1ccc(cc1)NC(=O)C[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)CCc2ccc(C)o2)cc1 CC[C@H](C)[*:1] Cc1ccc(CCC(=O)Nc2ccc(cc2)C(=O)N[*:1])o1
CC[C@H](C)NC(=O)c1ccc(NC(=O)CCc2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] CC[C@H](C)NC(=O)c1ccc(cc1)NC(=O)CC[*:1]
COc1cccc(CNC(=O)NC[C@@H]2COc3ccccc3O2)c1 COc1cccc(c1)[*:1] O=C(NC[C@@H]1COc2ccccc2O1)NC[*:1]
Cc1ccccc1NC(=O)N[C@@H]1CCCc2ccccc21 Cc1ccccc1[*:1] O=C(N[C@@H]1CCCc2ccccc21)N[*:1]
Cc1cc(C(=O)NCC2CCN(C(=O)c3ccno3)CC2)no1 Cc1cc(no1)[*:1] O=C(c1ccno1)N1CCC(CC1)CNC(=O)[*:1]
Cc1cc(C(=O)NCC2CCN(C(=O)c3ccno3)CC2)no1 c1cc(on1)[*:1] Cc1cc(no1)C(=O)NCC1CCN(CC1)C(=O)[*:1]
Cc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Br)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccccc1Br)N(Cc1ccco1)C[*:1]
Cc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Br)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CN(C[*:1])C(=O)c1ccccc1Br
Cc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Br)cc1 Cc1ccc(cc1)C[*:1] O=C(c1ccccc1Br)N(Cc1ccco1)[*:1]
Cc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Br)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)CN(C(=O)c1ccccc1Br)[*:1]
Cc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Br)cc1 Brc1ccccc1[*:1] Cc1ccc(cc1)CN(Cc1ccco1)C(=O)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(CC1)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ncccc2F)CC1 CC(C)(C)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCN(CC1)c1ncccc1F
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ncccc2F)CC1 CC(C)(C)C(=O)N[*:1] C[C@H](C(=O)N1CCN(CC1)c1ncccc1F)[*:1]
C[NH2+][C@@H](Cc1nccs1)Cc1ccccc1Cl c1csc(n1)[*:1] C[NH2+][C@H](Cc1ccccc1Cl)C[*:1]
Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc(N2CCCC2)n1 Clc1ccc(cc1)[*:1] Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc(N2CCCC2)n1 C1CCN(C1)[*:1] Cc1cc(nc(n1)[*:1])N1CCN(CC1)C(=O)c1ccc(Cl)cc1
COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1csc(Br)c1 Brc1cc(cs1)[*:1] COc1ccc(C)cc1[C@@H](C)[NH2+]C[*:1]
CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] CC(C)(C)[*:1] CC[C@@H](C)[C@H](NC(=O)C1CCN(CC1)C(=O)O[*:1])C(=O)[O-]
CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@H](NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] CC[C@@H](C)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)[O-])[*:1]
COCCCOc1ccccc1NC(=O)c1occc1Br COCCCO[*:1] O=C(Nc1ccccc1[*:1])c1occc1Br
COCCCOc1ccccc1NC(=O)c1occc1Br COCC[*:1] O=C(Nc1ccccc1OC[*:1])c1occc1Br
COCCCOc1ccccc1NC(=O)c1occc1Br Brc1ccoc1[*:1] COCCCOc1ccccc1NC(=O)[*:1]
COCCCOc1ccccc1NC(=O)c1occc1Br COC[*:1] O=C(Nc1ccccc1OCC[*:1])c1occc1Br
COCCCOc1ccccc1NC(=O)c1occc1Br COCCC[*:1] O=C(Nc1ccccc1O[*:1])c1occc1Br
CCOc1cc2c(cc1OCC)C[NH+](Cn1nc3n(c1=S)CCCCC3)CC2 CCO[*:1] CCOc1cc2CC[NH+](Cc2cc1[*:1])Cn1nc2CCCCCn2c1=S
CCOc1cc2c(cc1OCC)C[NH+](Cn1nc3n(c1=S)CCCCC3)CC2 CCO[*:1] CCOc1cc2C[NH+](CCc2cc1[*:1])Cn1nc2CCCCCn2c1=S
O=C([O-])c1ccccc1C(=O)Nc1ccc(Cl)cn1 O=C([O-])[*:1] O=C(Nc1ccc(Cl)cn1)c1ccccc1[*:1]
Cc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)s1 Cc1ccc(s1)[*:1] N#CC(=C[*:1])C(=O)c1cc2ccccc2o1
O=C(Nc1cccc(Cl)c1SC(F)F)c1scnc1C1CC1 C1CC1[*:1] O=C(Nc1cccc(Cl)c1SC(F)F)c1scnc1[*:1]
O=C(Nc1cccc(Cl)c1SC(F)F)c1scnc1C1CC1 FC(F)S[*:1] O=C(Nc1cccc(Cl)c1[*:1])c1scnc1C1CC1
O=C(Nc1cccc(Cl)c1SC(F)F)c1scnc1C1CC1 FC(F)[*:1] O=C(Nc1cccc(Cl)c1S[*:1])c1scnc1C1CC1
Cc1nc(C2CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)no1 FC(F)SC[*:1] Cc1nc(no1)C1CC[NH+](CC1)Cc1ccc(o1)[*:1]
Cc1nc(C2CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)no1 FC(F)[*:1] Cc1nc(no1)C1CC[NH+](CC1)Cc1ccc(CS[*:1])o1
Cc1nc(C2CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)no1 FC(F)S[*:1] Cc1nc(no1)C1CC[NH+](CC1)Cc1ccc(C[*:1])o1
Cc1nc(C2CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)no1 Cc1nc(no1)[*:1] FC(F)SCc1ccc(C[NH+]2CCC(CC2)[*:1])o1
[NH3+][C@@H]1C=C[C@@H](C(=O)NCc2ccc(-c3ccn[nH]3)cc2)C1 c1cc([nH]n1)[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)NCc1ccc(cc1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)O[C@@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)O[C@@H](C)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)O[C@@H](C)[C@H]1CCCO1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)O[C@@H](C)[C@H]1CCCO1
O=C(Nc1ccccc1F)c1ccnc(-c2ccsc2)c1 Fc1ccccc1[*:1] O=C(N[*:1])c1ccnc(c1)-c1ccsc1
O=C(Nc1ccccc1F)c1ccnc(-c2ccsc2)c1 c1cc(cs1)[*:1] O=C(Nc1ccccc1F)c1ccnc(c1)[*:1]
C[C@H](CC(=O)N[C@H]1CCC[NH2+][C@H]1C)CC(C)(C)C CC(C)(C)C[*:1] C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C[C@@H](C)[*:1]
C[C@H](CC(=O)N[C@H]1CCC[NH2+][C@H]1C)CC(C)(C)C CC(C)(C)[*:1] C[C@H](CC(=O)N[C@H]1CCC[NH2+][C@H]1C)C[*:1]
COC(=O)c1cnc(N(C(=O)Cc2ccc(F)cc2F)C2CC2)s1 Fc1ccc(c(F)c1)[*:1] COC(=O)c1cnc(s1)N(C(=O)C[*:1])C1CC1
COC(=O)c1cnc(N(C(=O)Cc2ccc(F)cc2F)C2CC2)s1 COC(=O)[*:1] O=C(Cc1ccc(F)cc1F)N(c1ncc(s1)[*:1])C1CC1
COC(=O)c1cnc(N(C(=O)Cc2ccc(F)cc2F)C2CC2)s1 C1CC1[*:1] COC(=O)c1cnc(s1)N(C(=O)Cc1ccc(F)cc1F)[*:1]
Fc1cccc(F)c1-c1n[nH]cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 Fc1cccc(F)c1[*:1] c1[nH]nc(c1CN1CCC[C@H](C1)[NH+]1CCCC1)[*:1]
CC(C)n1c([C@H](O)CC(=O)[O-])nc2cc(Cl)ccc21 CC(C)[*:1] O=C([O-])C[C@@H](O)c1nc2cc(Cl)ccc2n1[*:1]
CC(C)n1c([C@H](O)CC(=O)[O-])nc2cc(Cl)ccc21 O=C([O-])[*:1] CC(C)n1c(nc2cc(Cl)ccc21)[C@H](O)C[*:1]
CC(C)n1c([C@H](O)CC(=O)[O-])nc2cc(Cl)ccc21 O=C([O-])C[*:1] CC(C)n1c(nc2cc(Cl)ccc21)[C@H](O)[*:1]
O=C1c2ccccc2N[C@H](C2=C(c3cccnc3)N=NC2)N1c1ccccc1 c1cncc(c1)[*:1] O=C1c2ccccc2N[C@H](C2CN=NC=2[*:1])N1c1ccccc1
O=C1c2ccccc2N[C@H](C2=C(c3cccnc3)N=NC2)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2N[C@H](C2CN=NC=2c2cccnc2)N1[*:1]
C[C@@]1(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CCCO1 C1CC1[*:1] C[C@]1(CCCO1)C[NH2+][C@H](c1ccc(F)cc1)[*:1]
C/C(=N/NC(=O)CCC(=O)Nc1cccc(Cl)c1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=NNC(=O)CCC(=O)Nc1cccc(Cl)c1C)[*:1]
C/C(=N/NC(=O)CCC(=O)Nc1cccc(Cl)c1C)c1ccc(Cl)cc1 Cc1c(Cl)cccc1[*:1] C/C(=N/NC(=O)CCC(=O)N[*:1])c1ccc(Cl)cc1
O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CNc1cccc(c1)S(=O)(=O)N1CCCCC1)N[*:1]
O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(F)c(F)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(CNc1cccc(c1)[*:1])Nc1ccc(F)c(F)c1
CC(=O)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N c1csc(c1)[*:1] CC(=O)CSc1nc(cc(c1C#N)[*:1])-c1ccccc1
CC(=O)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N CC(=O)CS[*:1] N#Cc1c(cc(nc1[*:1])-c1ccccc1)-c1cccs1
CC(=O)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N c1ccc(cc1)[*:1] CC(=O)CSc1nc(cc(-c2cccs2)c1C#N)[*:1]
CC(=O)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N CC(=O)C[*:1] N#Cc1c(cc(nc1S[*:1])-c1ccccc1)-c1cccs1
CC(=O)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N CC(=O)[*:1] N#Cc1c(cc(nc1SC[*:1])-c1ccccc1)-c1cccs1
CC1CCN(C2=CC(=O)N(c3ccc(C(=O)NCC[NH+]4CCCCCC4)cc3)C2=O)CC1 CC1CCN(CC1)[*:1] O=C(NCC[NH+]1CCCCCC1)c1ccc(cc1)N1C(=O)C=C(C1=O)[*:1]
Cc1ccc(C)c(C(=O)N[C@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)c1 Cc1ccc(C)c(c1)[*:1] NC(=O)c1cc2c(CCC[C@@H]2NC(=O)[*:1])[nH]c1=O
Cc1ccc(C)c(C(=O)N[C@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)c1 NC(=O)[*:1] Cc1ccc(C)c(c1)C(=O)N[C@H]1CCCc2[nH]c(=O)c(cc21)[*:1]
COc1ccc(C[NH+]2CCCN(c3ncnc4sc5c(c34)CCCC5)CC2)cc1 COc1ccc(cc1)C[*:1] c1nc(c2c3CCCCc3sc2n1)N1CCC[NH+](CC1)[*:1]
COc1ccc(C[NH+]2CCCN(c3ncnc4sc5c(c34)CCCC5)CC2)cc1 COc1ccc(cc1)[*:1] c1nc(c2c3CCCCc3sc2n1)N1CCC[NH+](CC1)C[*:1]
COc1ccc(Cl)c(NNC(=O)NCc2ncn(C)n2)c1 Cn1cnc(n1)[*:1] COc1ccc(Cl)c(c1)NNC(=O)NC[*:1]
COc1ccc(Cl)c(NNC(=O)NCc2ncn(C)n2)c1 Cn1cnc(C[*:1])n1 COc1ccc(Cl)c(c1)NNC(=O)N[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 CC(C)[*:1] Cc1cc(ccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1)C(=O)NC[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 CC(C)CNC(=O)[*:1] Cc1cc(ccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1)[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)N1CCC[C@@H]1[*:1])C(=O)NCC(C)C
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 CC(C)C[*:1] Cc1cc(ccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1)C(=O)N[*:1]
CCC[C@@H]([NH3+])c1ccn(Cc2cncn2C)c1 CCC[*:1] Cn1cncc1Cn1ccc(c1)[C@H]([NH3+])[*:1]
Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 Cc1cccnc1N[*:1] Cc1cc(cc(n1)[C@@H]1CCCN1S(=O)(=O)c1c(C)noc1C)[*:1]
Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 Cc1noc(C)c1[*:1] Cc1cc(cc(n1)[C@@H]1CCCN1S(=O)(=O)[*:1])Nc1ncccc1C
Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 Cc1cccnc1[*:1] Cc1cc(cc(n1)[C@@H]1CCCN1S(=O)(=O)c1c(C)noc1C)N[*:1]
Cc1ccc(CC(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1O c1nnc(s1)[*:1] Cc1ccc(cc1O)CC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(CC(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1O O=C(Nc1nncs1)[*:1] Cc1ccc(cc1O)CC(=O)N1CCC(CC1)[*:1]
Cc1ccc(CC(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1O Cc1ccc(cc1O)[*:1] O=C(Nc1nncs1)C1CCN(CC1)C(=O)C[*:1]
CCOCCN(C)C(=O)[C@H](C)Oc1cccc(F)c1 CCO[*:1] C[C@H](Oc1cccc(F)c1)C(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)[C@H](C)Oc1cccc(F)c1 CCOCC[*:1] C[C@H](Oc1cccc(F)c1)C(=O)N(C)[*:1]
CCOCCN(C)C(=O)[C@H](C)Oc1cccc(F)c1 CCOC[*:1] C[C@H](Oc1cccc(F)c1)C(=O)N(C)C[*:1]
CCOc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C[NH2+]Cc1ccc(Cl)o1
CCOc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1OC Clc1ccc(o1)[*:1] CCOc1ccc(cc1OC)C[NH2+]C[*:1]
CC(=O)c1cc2c(cc1N/C=C\C(=O)c1ccc(Cl)c(Cl)c1)OCO2 Clc1ccc(cc1Cl)[*:1] CC(=O)c1cc2OCOc2cc1N/C=C\C(=O)[*:1]
CC(=O)c1cc2c(cc1N/C=C\C(=O)c1ccc(Cl)c(Cl)c1)OCO2 CC(=O)[*:1] O=C(/C=C\Nc1cc2OCOc2cc1[*:1])c1ccc(Cl)c(Cl)c1
c1ccc(-c2cc(N3CCC4(CC3)OCCO4)nc(-c3cccnc3)n2)nc1 c1ccc(nc1)[*:1] c1cncc(c1)-c1nc(cc(n1)[*:1])N1CCC2(CC1)OCCO2
c1ccc(-c2cc(N3CCC4(CC3)OCCO4)nc(-c3cccnc3)n2)nc1 c1cncc(c1)[*:1] c1ccc(nc1)-c1cc(nc(n1)[*:1])N1CCC2(CC1)OCCO2
C#Cc1cccc(N(C(=O)c2ccc(NC(C)=O)cc2)C(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(C(=O)c1ccc(cc1)NC(C)=O)[*:1]
C#Cc1cccc(N(C(=O)c2ccc(NC(C)=O)cc2)C(C)C)c1 C#Cc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N(C(C)C)[*:1]
C#Cc1cccc(N(C(=O)c2ccc(NC(C)=O)cc2)C(C)C)c1 CC(=O)N[*:1] C#Cc1cccc(c1)N(C(=O)c1ccc(cc1)[*:1])C(C)C
Cc1ccc2nc(CN3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)oc2c1 Brc1ccc(s1)[*:1] Cc1ccc2nc(CN3CCN(CC3)S(=O)(=O)[*:1])oc2c1
[NH3+]C1(CC(=O)NCCCO)CCC1 OCCC[*:1] [NH3+]C1(CCC1)CC(=O)N[*:1]
[NH3+]C1(CC(=O)NCCCO)CCC1 OCC[*:1] [NH3+]C1(CCC1)CC(=O)NC[*:1]
CO[C@H](CNCc1c[nH]nc1-c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] CO[C@H](CNCc1c[nH]nc1-c1ccc(F)cc1)[*:1]
CO[C@H](CNCc1c[nH]nc1-c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] CO[C@H](CNCc1c[nH]nc1[*:1])c1cccs1
CC[C@H](O)C(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 CC[C@H](O)[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1CCCn1cc[nH+]c1
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 c1cncc(c1)C[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N(c1nc2ccc(Br)cc2s1)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])N(Cc1cccnc1)c1nc2ccc(Br)cc2s1
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 c1cncc(c1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N(C[*:1])c1nc2ccc(Br)cc2s1
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(N(Cc1cccnc1)c1nc2ccc(Br)cc2s1)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)n2ncnc2N1 c1ccc(cc1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)N[*:1])c1cccc(c1)OCc1ccccc1
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)n2ncnc2N1 c1ccc(cc1)C[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)Nc1ccccc1)c1cccc(c1)O[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)n2ncnc2N1 c1ccc(cc1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)Nc1ccccc1)c1cccc(c1)OC[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)n2ncnc2N1 O=C(Nc1ccccc1)[*:1] CC1Nc2ncnn2[C@@H](C=1[*:1])c1cccc(c1)OCc1ccccc1
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)n2ncnc2N1 c1ccc(cc1)CO[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)Nc1ccccc1)c1cccc(c1)[*:1]
Cc1[nH]ncc1CCCNC(=O)CNC(=O)c1ccc(F)cc1F Cc1[nH]ncc1[*:1] O=C(CNC(=O)c1ccc(F)cc1F)NCCC[*:1]
Cc1[nH]ncc1CCCNC(=O)CNC(=O)c1ccc(F)cc1F Cc1[nH]ncc1CC[*:1] O=C(CNC(=O)c1ccc(F)cc1F)NC[*:1]
Cc1[nH]ncc1CCCNC(=O)CNC(=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cc1[nH]ncc1CCCNC(=O)CNC(=O)[*:1]
Cc1[nH]ncc1CCCNC(=O)CNC(=O)c1ccc(F)cc1F Cc1[nH]ncc1C[*:1] O=C(CNC(=O)c1ccc(F)cc1F)NCC[*:1]
CC(C)N1CCO[C@H](c2n[n-]c(Cl)n2)C1 CC(C)[*:1] Clc1nc(n[n-]1)[C@@H]1CN(CCO1)[*:1]
O=C(NCc1cccnc1)c1ccc2ccccc2n1 c1cncc(c1)[*:1] O=C(NC[*:1])c1ccc2ccccc2n1
COc1ccc(OC)c(NC(=O)C[C@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)C[C@H](C)[*:1]
[NH3+]C[C@H]1OCCN(C2CC2)[C@H]1c1cncn1C1CC1 C1CC1[*:1] [NH3+]C[C@H]1OCCN([C@H]1c1cncn1C1CC1)[*:1]
[NH3+]C[C@H]1OCCN(C2CC2)[C@H]1c1cncn1C1CC1 C1CC1[*:1] [NH3+]C[C@H]1OCCN(C2CC2)[C@H]1c1cncn1[*:1]
Cn1cc(/C=C\C(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cn1cc(/C=C\C(=O)c2ccccc2)c(n1)-c1ccc(cc1)[*:1]
Cn1cc(/C=C\C(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 O=C(c1ccccc1)[*:1] Cn1cc(C=C[*:1])c(n1)-c1ccc(cc1)[N+](=O)[O-]
Cn1cc(/C=C\C(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 c1ccc(cc1)[*:1] Cn1cc(/C=C\C(=O)[*:1])c(n1)-c1ccc(cc1)[N+](=O)[O-]
Cc1nc(-c2ccccc2)sc1CNC(=O)C(=O)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1nc(sc1CNC(=O)C(=O)Nc1ccc(F)cc1)[*:1]
Cc1nc(-c2ccccc2)sc1CNC(=O)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(sc1CNC(=O)C(=O)N[*:1])-c1ccccc1
CO/C([O-])=C1/C(C)=NC2=NC(SCc3ccccc3F)=NC(=O)[C@@H]2[C@H]1c1ccccc1 Fc1ccccc1[*:1] CO/C([O-])=C1/C(C)=NC2=NC(=NC(=O)[C@@H]2[C@H]1c1ccccc1)SC[*:1]
CO/C([O-])=C1/C(C)=NC2=NC(SCc3ccccc3F)=NC(=O)[C@@H]2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CO/C([O-])=C1/C(C)=NC2=NC(=NC(=O)[C@@H]2[C@@H]1[*:1])SCc1ccccc1F
CO/C([O-])=C1/C(C)=NC2=NC(SCc3ccccc3F)=NC(=O)[C@@H]2[C@H]1c1ccccc1 Fc1ccccc1C[*:1] CO/C([O-])=C1/C(C)=NC2=NC(=NC(=O)[C@@H]2[C@H]1c1ccccc1)S[*:1]
C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc2c(c1)OCCO2 c1ccc2sc(nc2c1)[*:1] C[C@@H](NC(=O)c1ccc(o1)[*:1])c1ccc2OCCOc2c1
COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccccc1Cl O=C1NC(=O)C(=C[*:1])S1 COc1cc(ccc1OCc1ccccc1Cl)[*:1]
COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccccc1Cl Clc1ccccc1C[*:1] COc1cc(/C=C2\SC(=O)NC2=O)ccc1O[*:1]
COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccccc1Cl Clc1ccccc1[*:1] COc1cc(/C=C2\SC(=O)NC2=O)ccc1OC[*:1]
CCc1nc(Cl)c(C)c(NCc2ccc([S@](C)=O)cc2)n1 C[S@](=O)[*:1] CCc1nc(Cl)c(C)c(n1)NCc1ccc(cc1)[*:1]
COC(=O)[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1CO COC(=O)[C@@H](C)[*:1] C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1CO)[*:1]
COC(=O)[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1CO COC(=O)[*:1] C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1CO)[C@H](C)[*:1]
Cc1cc(C)c(NC(=O)Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(NC(=O)Nc2cc(cc(c2)[*:1])[N+](=O)[O-])c(C)c1
Cc1nccn1Cc1cccc(CNC(=O)Cc2ccc[nH]2)c1 c1c[nH]c(c1)C[*:1] Cc1nccn1Cc1cccc(c1)CNC(=O)[*:1]
Cc1nccn1Cc1cccc(CNC(=O)Cc2ccc[nH]2)c1 Cc1nccn1[*:1] O=C(Cc1ccc[nH]1)NCc1cccc(c1)C[*:1]
Cc1nccn1Cc1cccc(CNC(=O)Cc2ccc[nH]2)c1 c1c[nH]c(c1)[*:1] Cc1nccn1Cc1cccc(c1)CNC(=O)C[*:1]
Cc1nccn1Cc1cccc(CNC(=O)Cc2ccc[nH]2)c1 Cc1nccn1C[*:1] O=C(Cc1ccc[nH]1)NCc1cccc(c1)[*:1]
CCN(CC1CCN(c2cccc(C(=O)NC)n2)CC1)C(=O)OC(C)(C)C CNC(=O)[*:1] CCN(CC1CCN(CC1)c1cccc(n1)[*:1])C(=O)OC(C)(C)C
CCN(CC1CCN(c2cccc(C(=O)NC)n2)CC1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CCN(CC1CCN(CC1)c1cccc(n1)C(=O)NC)C(=O)O[*:1]
O=C(COc1ccc(F)cc1)NNC(=O)Cc1ccc(F)c(F)c1 Fc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=O)Cc1ccc(F)c(F)c1
O=C(COc1ccc(F)cc1)NNC(=O)Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(COc1ccc(F)cc1)NNC(=O)C[*:1]
O=C(COc1ccc(F)cc1)NNC(=O)Cc1ccc(F)c(F)c1 Fc1ccc(cc1)O[*:1] O=C(Cc1ccc(F)c(F)c1)NNC(=O)C[*:1]
CCOc1cc(CN2CCN(c3cccc(C)c3C)CC2)ccc1O CCO[*:1] Cc1cccc(c1C)N1CCN(CC1)Cc1ccc(O)c(c1)[*:1]
CCOc1cc(CN2CCN(c3cccc(C)c3C)CC2)ccc1O Cc1cccc(c1C)[*:1] CCOc1cc(ccc1O)CN1CCN(CC1)[*:1]
CNC(=O)NCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 CNC(=O)NC[*:1] O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[*:1]
CNC(=O)NCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 Fc1cccc(Cl)c1[*:1] CNC(=O)NCC(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
CNC(=O)NCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 CNC(=O)N[*:1] O=C(C[*:1])NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1
Cc1cc(C)c(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(C)n1 Cc1cc(C)c(c(C)n1)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N[*:1]
Cc1cc(C)c(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(C)n1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)c2cc3c(C)nn(c3s2)[*:1])c(C)n1
CCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cc(F)ccc21 O=[N+]([O-])[*:1] CCn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2cc(F)ccc21
CC[C@@H](NC(=O)N(C)C[C@@H](C)O)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N(C)C[C@@H](C)O)[*:1]
CC[C@@H](NC(=O)N(C)C[C@@H](C)O)c1ccncc1 C[C@@H](O)C[*:1] CC[C@@H](NC(=O)N(C)[*:1])c1ccncc1
CC[C@@H](NC(=O)N(C)C[C@@H](C)O)c1ccncc1 C[C@@H](O)[*:1] CC[C@@H](NC(=O)N(C)C[*:1])c1ccncc1
Cc1cccc(N2CCN(S(=O)(=O)c3cc4[nH]c(=O)[nH]c4cc3Cl)CC2)c1C Cc1cccc(c1C)[*:1] O=c1[nH]c2cc(Cl)c(cc2[nH]1)S(=O)(=O)N1CCN(CC1)[*:1]
C[C@@H](NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1cc(ccc1=O)S(=O)(=O)N1CCCC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(-c2ccccc2)cc1 O=S(=O)(N1CCCC1)[*:1] C[C@@H](NC(=O)Cn1cc(ccc1=O)[*:1])c1ccc(cc1)-c1ccccc1
CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc([S@](C)=O)c1 CCS[*:1] C[S@](=O)c1cccc(c1)NC(=O)N[C@H]1CCCC[C@@H]1[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc([S@](C)=O)c1 C[S@](=O)[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1)[*:1]
C[C@H](C#N)[C@H](O)c1ccccn1 C[C@H](C#N)[*:1] O[C@H](c1ccccn1)[*:1]
COc1cc([C@@H](C)NC(=O)c2cc(C(C)=O)c[nH]2)ccc1OC(C)C CC(=O)c1c[nH]c(c1)[*:1] COc1cc(ccc1OC(C)C)[C@@H](C)NC(=O)[*:1]
COc1cc([C@@H](C)NC(=O)c2cc(C(C)=O)c[nH]2)ccc1OC(C)C CC(=O)[*:1] COc1cc(ccc1OC(C)C)[C@@H](C)NC(=O)c1cc(c[nH]1)[*:1]
COc1cc([C@@H](C)NC(=O)c2cc(C(C)=O)c[nH]2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)c1cc(c[nH]1)C(C)=O
COc1cc([C@@H](C)NC(=O)c2cc(C(C)=O)c[nH]2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[C@@H](C)NC(=O)c1cc(c[nH]1)C(C)=O
CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1csc(-c2cnccn2)n1 Cc1ccc(cc1)C[*:1] CC[C@@H](NC(=O)c1csc(n1)-c1cnccn1)[*:1]
CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1csc(-c2cnccn2)n1 Cc1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)c1csc(n1)-c1cnccn1
CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1csc(-c2cnccn2)n1 c1cnc(cn1)[*:1] CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1csc(n1)[*:1]
O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc([O-])nn1 [O-]c1ccc(nn1)[*:1] O=C(Nc1ccc2CCc3cccc1c32)[*:1]
Cc1cccc(CN2CCN(C(=O)c3cc(C#N)cn3C)CC2)c1 Cc1cccc(c1)C[*:1] Cn1cc(C#N)cc1C(=O)N1CCN(CC1)[*:1]
Cc1cccc(CN2CCN(C(=O)c3cc(C#N)cn3C)CC2)c1 Cn1cc(C#N)cc1[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)[*:1]
Cc1cccc(CN2CCN(C(=O)c3cc(C#N)cn3C)CC2)c1 Cc1cccc(c1)[*:1] Cn1cc(C#N)cc1C(=O)N1CCN(CC1)C[*:1]
O=C(CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1)N[*:1]
O=C(CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=c1c2ccccc2nc(SC[*:1])n1CCn1cc(Cl)cn1
O=C(CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1)NC1CCCCC1 Clc1cnn(c1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1CC[*:1])NC1CCCCC1
O=C(CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1)NC1CCCCC1 Clc1cnn(c1)CC[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])NC1CCCCC1
O=C(CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1)NC1CCCCC1 Clc1cnn(c1)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1C[*:1])NC1CCCCC1
O=C(CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1)NC1CCCCC1 O=C(C[*:1])NC1CCCCC1 O=c1c2ccccc2nc(S[*:1])n1CCn1cc(Cl)cn1
CC[NH2+]C(C)(C)C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] CC[NH2+]C(C)(C)C(=O)N[C@@](C)(C(=O)[O-])[*:1]
CC[NH2+]C(C)(C)C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] CC[NH2+]C(C)(C)C(=O)N[C@@](C)(C(F)(F)F)[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@@H](Cc2ccccc2)C2CC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)N[C@@H](C[*:1])C1CC1
Cc1csc([C@@H](C)NC(=O)N[C@@H](Cc2ccccc2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@@H](Cc2ccccc2)C2CC2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)[C@@H](C)NC(=O)N[C@@H](C1CC1)[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@@H](Cc2ccccc2)C2CC2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C1CC1)[*:1]
O=S(=O)(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccs1 c1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](c1c[nH]c2ccccc12)[*:1])c1cccs1
O=S(=O)(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccs1 c1csc(c1)[*:1] O=S(=O)(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc[nH]1)c1ccccc1 CC(C)(C)OC(=O)N[*:1] O=C(NCc1ccc[nH]1)[C@H](c1ccccc1)[*:1]
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc[nH]1)c1ccccc1 CC(C)(C)[*:1] O=C(N[C@H](C(=O)NCc1ccc[nH]1)c1ccccc1)O[*:1]
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc[nH]1)c1ccccc1 c1c[nH]c(c1)[*:1] CC(C)(C)OC(=O)N[C@H](C(=O)NC[*:1])c1ccccc1
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc[nH]1)c1ccccc1 c1c[nH]c(c1)C[*:1] CC(C)(C)OC(=O)N[C@H](C(=O)N[*:1])c1ccccc1
CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc[nH]1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc[nH]1)[*:1]
CC1(C)C[C@@]2(CCO1)OC(=O)C[C@@H]2C(N)=S NC(=S)[*:1] CC1(C)C[C@@]2(CCO1)OC(=O)C[C@H]2[*:1]
COc1ccc(Nc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)cc1 COc1ccc(cc1)N[*:1] Nc1c(ncnc1[*:1])Nc1ccc(cc1)C(F)(F)F
COc1ccc(Nc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)cc1 COc1ccc(cc1)[*:1] Nc1c(ncnc1N[*:1])Nc1ccc(cc1)C(F)(F)F
COc1ccc(Nc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)cc1 FC(F)(F)[*:1] COc1ccc(cc1)Nc1ncnc(Nc2ccc(cc2)[*:1])c1N
CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1 CC(C)(C)NC(=O)[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1cccc(c1)[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1 CC(C)(C)[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1cccc(c1)C(=O)N[*:1]
NC(=O)NC1(CO)CCCCC1 NC(=O)N[*:1] OCC1(CCCCC1)[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)Cc1nc2ccc(Cl)cc2o1)[*:1]
COc1ccccc1C(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2 Cc1ccc(cc1)[*:1] COc1ccccc1C(=O)NCc1ccc2CCN(C(=O)[*:1])c2c1
COc1ccccc1C(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2 COc1ccccc1[*:1] Cc1ccc(cc1)C(=O)N1CCc2ccc(cc21)CNC(=O)[*:1]
O=C(CNC(=O)C1CC1)NC1=NN=C(C2=CC[C@@H](Br)S2)C1 O=C(NC[*:1])C1CC1 O=C(NC1CC(=NN=1)C1=CC[C@@H](Br)S1)[*:1]
O=C(CNC(=O)C1CC1)NC1=NN=C(C2=CC[C@@H](Br)S2)C1 O=C(N[*:1])C1CC1 O=C(C[*:1])NC1CC(=NN=1)C1=CC[C@@H](Br)S1
O=C(CNC(=O)C1CC1)NC1=NN=C(C2=CC[C@@H](Br)S2)C1 C1CC1[*:1] O=C(CNC(=O)[*:1])NC1CC(=NN=1)C1=CC[C@@H](Br)S1
CCN(C)C(=O)Cn1cnc2ccc(N)cc2c1=O CCN(C)C(=O)[*:1] Nc1ccc2ncn(C[*:1])c(=O)c2c1
CCNc1cc(C)[nH+]c(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 Fc1ccccc1[*:1] CCNc1cc(C)[nH+]c(n1)N1CCN(CC1)C(=O)N[*:1]
CCNc1cc(C)[nH+]c(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 CCN[*:1] Cc1cc(nc([nH+]1)N1CCN(CC1)C(=O)Nc1ccccc1F)[*:1]
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc(F)cc1F O=[N+]([O-])[*:1] Cc1cccc(c1S(=O)(=O)Oc1ccc(F)cc1F)[*:1]
CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(O)cc1
CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1OC Oc1ccc(cc1)[*:1] CCOc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2[*:1]
CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1OC CCOc1ccc(cc1OC)[*:1] O=C1C[C@@H](CC2Nc3ccccc3N[C@@H](C=21)c1ccc(O)cc1)[*:1]
C[NH+](CCC#N)CC(=O)Nc1ccc(Cl)cc1 N#CC[*:1] C[NH+](CC(=O)Nc1ccc(Cl)cc1)C[*:1]
CCOC(=O)[C@H]1C(O)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(O)=Nc2nc3ccccc3n2[C@H]1[*:1]
CCOC(=O)[C@H]1C(O)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1 CCOC(=O)[*:1] OC1=Nc2nc3ccccc3n2[C@H](c2ccccc2)[C@H]1[*:1]
CCC[NH2+][C@@H](CC)c1ccn(Cc2cncn2C)c1 CCC[*:1] CC[C@H]([NH2+][*:1])c1ccn(c1)Cc1cncn1C
CCC[NH2+][C@@H](CC)c1ccn(Cc2cncn2C)c1 Cn1cncc1[*:1] CCC[NH2+][C@@H](CC)c1ccn(c1)C[*:1]
CCCNC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C CC(C)(C)[*:1] CCCNC(=O)N1CCC[C@@H]1CNC(=O)O[*:1]
CCCNC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C CCC[*:1] CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)N[*:1]
Cc1csc2nc(COC(=O)c3ccccc3C(=O)c3cccs3)cc(=O)n12 c1csc(c1)[*:1] Cc1csc2nc(cc(=O)n12)COC(=O)c1ccccc1C(=O)[*:1]
Cc1csc2nc(COC(=O)c3ccccc3C(=O)c3cccs3)cc(=O)n12 O=C(c1cccs1)[*:1] Cc1csc2nc(cc(=O)n12)COC(=O)c1ccccc1[*:1]
COC(=O)c1cc(-c2ccc(O)c(Cl)c2)cs1 COC(=O)[*:1] Oc1ccc(cc1Cl)-c1csc(c1)[*:1]
O=c1c2cn[nH]c2nc(SCc2cn3ccccc3n2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c2cn[nH]c2nc(SCc2cn3ccccc3n2)n1[*:1]
O=c1c2cn[nH]c2nc(SCc2cn3ccccc3n2)n1-c1ccccc1 c1ccn2cc(nc2c1)[*:1] O=c1c2cn[nH]c2nc(SC[*:1])n1-c1ccccc1
CN(C)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] CN(C)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
CN(C)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 CN(C)C(=O)[*:1] O=C(OC[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F
CN(C)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 CN(C)C(=O)C[*:1] O=C(O[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F
CN(C)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 CN(C)C(=O)COC(=O)[*:1] O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(CC1)[*:1]
C#Cc1cccc(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2Cl)c1 Clc1ccccc1[*:1] C#Cc1cccc(c1)NC(=O)C(=O)NC[C@@H](C)O[*:1]
C#Cc1cccc(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2Cl)c1 Clc1ccccc1O[*:1] C#Cc1cccc(c1)NC(=O)C(=O)NC[C@@H](C)[*:1]
C#Cc1cccc(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2Cl)c1 C#Cc1cccc(c1)[*:1] C[C@H](CNC(=O)C(=O)N[*:1])Oc1ccccc1Cl
Cn1nnnc1SCC[NH2+]C1CCN(c2ncnc3[nH]cnc23)CC1 Cn1nnnc1S[*:1] c1nc(c2nc[nH]c2n1)N1CCC(CC1)[NH2+]CC[*:1]
Cn1nnnc1SCC[NH2+]C1CCN(c2ncnc3[nH]cnc23)CC1 Cn1nnnc1SC[*:1] c1nc(c2nc[nH]c2n1)N1CCC(CC1)[NH2+]C[*:1]
Cn1nnnc1SCC[NH2+]C1CCN(c2ncnc3[nH]cnc23)CC1 Cn1nnnc1[*:1] c1nc(c2nc[nH]c2n1)N1CCC(CC1)[NH2+]CCS[*:1]
Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c1 Cc1cccc(c1)[*:1] O=C(N[C@@H]1CCN(C1)c1c(F)cccc1F)C(=O)N[*:1]
Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c1 Fc1cccc(F)c1[*:1] Cc1cccc(c1)NC(=O)C(=O)N[C@@H]1CCN(C1)[*:1]
[NH3+][C@@H]1CCCCC[C@H]1C(=O)NCC(=O)[O-] O=C([O-])[*:1] [NH3+][C@@H]1CCCCC[C@H]1C(=O)NC[*:1]
[NH3+][C@@H]1CCCCC[C@H]1C(=O)NCC(=O)[O-] O=C([O-])C[*:1] [NH3+][C@@H]1CCCCC[C@H]1C(=O)N[*:1]
C[NH+](C)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O CC(C)(C)[*:1] C[NH+](C)C[C@@H]1C[C@H](CCC1=O)[*:1]
CC(C)N1CCO[C@H](c2nc(C[NH2+]C3CC3)cs2)C1 C1CC1[*:1] CC(C)N1CCO[C@@H](C1)c1nc(cs1)C[NH2+][*:1]
CC(C)N1CCO[C@H](c2nc(C[NH2+]C3CC3)cs2)C1 CC(C)[*:1] c1sc(nc1C[NH2+]C1CC1)[C@@H]1CN(CCO1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H]1c1ccc(Cl)cc1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])N1CC[C@@H]1c1ccc(Cl)cc1
O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H]1[*:1]
CCn1cnnc1[C@@H]1CCCN(c2cc[nH+]c3ccccc23)C1 CCn1cnnc1[*:1] c1ccc2c(cc[nH+]c2c1)N1CCC[C@H](C1)[*:1]
C[C@@H](CN[C@@H]1CCOc2c(F)cccc21)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CN[C@@H]1CCOc2c(F)cccc21)c1nc(no1)[*:1]
C[C@@H]1CCN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c2ccccc21 CN(C)S(=O)(=O)[*:1] C[C@@H]1CCN(CC(=O)Nc2cccc(c2)[*:1])c2ccccc21
COc1ccc(OC)c(CN2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CN1CCN(CC1)C(=O)C[C@H](C)[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ccc(c(C)n2)[N+](=O)[O-])c1[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1C1CC1 O=[N+]([O-])[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ccc(c(C)n2)[*:1])c1C1CC1
CCn1c(SCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc21 O=[N+]([O-])c1ccccc1[*:1] CCn1c(nc2ccccc21)SCC(=O)N1CCN(CC1)[*:1]
CCn1c(SCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc21 O=[N+]([O-])[*:1] CCn1c(nc2ccccc21)SCC(=O)N1CCN(CC1)c1ccccc1[*:1]
CN(C)S(=O)(=O)NCc1ccccc1N1CC[NH+](C)CC1 CN(C)S(=O)(=O)N[*:1] C[NH+]1CCN(CC1)c1ccccc1C[*:1]
CS(=O)(=O)c1ccc(CN[C@H]2CC[C@H]([NH3+])C2)cc1 CS(=O)(=O)[*:1] [NH3+][C@H]1CC[C@@H](C1)NCc1ccc(cc1)[*:1]
O=C(Cc1ccc(Cl)cc1)NCc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(Cc1ccc(Cl)cc1)NCc1ccc(cc1)C[*:1]
O=C(Cc1ccc(Cl)cc1)NCc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] O=C(Cc1ccc(Cl)cc1)NCc1ccc(cc1)[*:1]
O=C(Cc1ccc(Cl)cc1)NCc1ccc(CN2CCCC2=O)cc1 Clc1ccc(cc1)[*:1] O=C(C[*:1])NCc1ccc(cc1)CN1CCCC1=O
O=C(Cc1ccc(Cl)cc1)NCc1ccc(CN2CCCC2=O)cc1 Clc1ccc(cc1)C[*:1] O=C1CCCN1Cc1ccc(cc1)CNC(=O)[*:1]
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCCc1ccccc1 c1ccc(cc1)CCC[*:1] CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N[*:1]
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCCc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCC[*:1]
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCCc1ccccc1 CC(C)(C)[*:1] O=C(C[C@@H]1CSc2nc(cc(=O)n21)[*:1])NCCCc1ccccc1
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCCc1ccccc1 c1ccc(cc1)CC[*:1] CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NC[*:1]
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCCc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCC[*:1]
COCCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] COCCC[*:1] COc1ccc2CC[C@H]([C@H]([NH3+])c2c1)S(=O)(=O)[*:1]
COCCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] COC[*:1] COc1ccc2CC[C@H]([C@H]([NH3+])c2c1)S(=O)(=O)CC[*:1]
COCCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] COCC[*:1] COc1ccc2CC[C@H]([C@H]([NH3+])c2c1)S(=O)(=O)C[*:1]
COc1cccc(CN(C)C(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c1 Cn1ccnc1[*:1] COc1cccc(c1)CN(C)C(=O)C[C@](O)(C(F)(F)F)[*:1]
COc1cccc(CN(C)C(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c1 FC(F)(F)[*:1] COc1cccc(c1)CN(C)C(=O)C[C@](O)(c1nccn1C)[*:1]
COc1cccc(CN(C)C(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c1 COc1cccc(c1)[*:1] CN(C[*:1])C(=O)C[C@](O)(c1nccn1C)C(F)(F)F
CC1=C(C(=O)Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2C)SCCO1 c1ccc(cc1)[*:1] CC1OCCSC=1C(=O)Nc1cc(ccc1C)C(=O)N1CCN(CC1)[*:1]
CNC(=O)c1ccc(NC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 CNC(=O)[*:1] O=C(NCCc1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)[*:1]
CNC(=O)c1ccc(NC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] CNC(=O)c1ccc(cc1)NC(=O)NCCc1ccc(cc1)[*:1]
Cc1cnc(N[C@H](C)c2cnn(C)c2)nc1N[C@H](C)c1cnn(C)c1 C[C@H](c1cnn(C)c1)[*:1] Cc1cnc(nc1N[*:1])N[C@H](C)c1cnn(C)c1
Cc1cnc(N[C@H](C)c2cnn(C)c2)nc1N[C@H](C)c1cnn(C)c1 C[C@H](c1cnn(C)c1)[*:1] Cc1cnc(nc1N[C@H](C)c1cnn(C)c1)N[*:1]
Cc1cnc(N[C@H](C)c2cnn(C)c2)nc1N[C@H](C)c1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1cnc(nc1N[C@H](C)[*:1])N[C@H](C)c1cnn(C)c1
Cc1cnc(N[C@H](C)c2cnn(C)c2)nc1N[C@H](C)c1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1cnc(nc1N[C@H](C)c1cnn(C)c1)N[C@H](C)[*:1]
C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc(I)c2)c1 Ic1cccc(c1)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)N[*:1]
CC(C)Cn1c(N2CCC[C@@H](C(=O)NC(C)C)C2)[nH+]c2ccccc21 CC(C)[*:1] CC(C)NC(=O)[C@@H]1CCCN(C1)c1[nH+]c2ccccc2n1C[*:1]
CC(C)Cn1c(N2CCC[C@@H](C(=O)NC(C)C)C2)[nH+]c2ccccc21 CC(C)C[*:1] CC(C)NC(=O)[C@@H]1CCCN(C1)c1[nH+]c2ccccc2n1[*:1]
CC(C)Cn1c(N2CCC[C@@H](C(=O)NC(C)C)C2)[nH+]c2ccccc21 CC(C)NC(=O)[*:1] CC(C)Cn1c([nH+]c2ccccc21)N1CCC[C@@H](C1)[*:1]
CC(C)Cn1c(N2CCC[C@@H](C(=O)NC(C)C)C2)[nH+]c2ccccc21 CC(C)[*:1] CC(C)Cn1c([nH+]c2ccccc21)N1CCC[C@H](C1)C(=O)N[*:1]
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CNC(=O)c1ccccn1 C[C@H](c1ccccc1)[*:1] O=C(NCC(=O)N(CC1CCC1)[*:1])c1ccccn1
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CNC(=O)c1ccccn1 C1CC(C1)C[*:1] C[C@H](c1ccccc1)N(C(=O)CNC(=O)c1ccccn1)[*:1]
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CNC(=O)c1ccccn1 C1CC(C1)[*:1] C[C@H](c1ccccc1)N(C[*:1])C(=O)CNC(=O)c1ccccn1
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CNC(=O)c1ccccn1 c1ccc(cc1)[*:1] C[C@H](N(CC1CCC1)C(=O)CNC(=O)c1ccccn1)[*:1]
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CNC(=O)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CNC(=O)[*:1]
O=C(Nc1ccc(-n2ccnn2)cc1)N[C@H]1CCCc2ccc(F)cc21 c1cn(nn1)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H]1CCCc2ccc(F)cc21
COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(C)Cc1cccnc1 c1cncc(c1)[*:1] COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(C)C[*:1]
COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(C)Cc1cccnc1 c1cncc(c1)C[*:1] COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(C)[*:1]
COc1c(F)cc(NC(=O)[C@@H](C)NC(N)=O)cc1F C[C@@H](NC(N)=O)[*:1] COc1c(F)cc(cc1F)NC(=O)[*:1]
COc1c(F)cc(NC(=O)[C@@H](C)NC(N)=O)cc1F NC(=O)N[*:1] COc1c(F)cc(cc1F)NC(=O)[C@@H](C)[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2cn[nH]c2N)C1 Nc1[nH]ncc1[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)NC[*:1]
N#Cc1ccc(CS(=O)(=O)Cc2nccn2Cc2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(Cc1nccn1Cc1ccccc1)C[*:1]
N#Cc1ccc(CS(=O)(=O)Cc2nccn2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)CS(=O)(=O)Cc1nccn1C[*:1]
N#Cc1ccc(CS(=O)(=O)Cc2nccn2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] N#Cc1ccc(cc1)CS(=O)(=O)Cc1nccn1[*:1]
CCOC(=O)Nc1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1 CCOC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc[n+]([O-])c1
CCOC(=O)Nc1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1 [O-][n+]1cccc(c1)[*:1] CCOC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CN(C)c1cc(C(=O)N2CCC[C@H](n3cccn3)C2)ccn1 c1cnn(c1)[*:1] CN(C)c1cc(ccn1)C(=O)N1CCC[C@H](C1)[*:1]
CN(C)c1cc(C(=O)N2CCC[C@H](n3cccn3)C2)ccn1 CN(C)[*:1] O=C(c1ccnc(c1)[*:1])N1CCC[C@@H](C1)n1cccn1
CC(=O)NCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 CC(=O)NCC[*:1] O=C(N[*:1])c1nn(-c2ccc(F)cc2)c2CCCCCc12
CC(=O)NCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 Fc1ccc(cc1)[*:1] CC(=O)NCCNC(=O)c1nn(c2CCCCCc12)[*:1]
CC(=O)NCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 CC(=O)NC[*:1] O=C(NC[*:1])c1nn(-c2ccc(F)cc2)c2CCCCCc12
CC(=O)NCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 CC(=O)N[*:1] O=C(NCC[*:1])c1nn(-c2ccc(F)cc2)c2CCCCCc12
CCCc1nc(N2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)cc(C)[nH+]1 CC(C)c1ccn(n1)[*:1] CCCc1nc(cc(C)[nH+]1)N1CCC(CC1)(C(=O)[O-])[*:1]
CCCc1nc(N2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)cc(C)[nH+]1 CCC[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCC(CC1)(C(=O)[O-])n1ccc(n1)C(C)C
CCCc1nc(N2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)cc(C)[nH+]1 O=C([O-])[*:1] CCCc1nc(cc(C)[nH+]1)N1CCC(CC1)(n1ccc(n1)C(C)C)[*:1]
CCCc1nc(N2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)cc(C)[nH+]1 CC(C)[*:1] CCCc1nc(cc(C)[nH+]1)N1CCC(CC1)(C(=O)[O-])n1ccc(n1)[*:1]
Cc1nc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)c(=O)[nH]c1C Fc1ccc(cc1F)[*:1] Cc1nc(C(=O)N2CCC[C@@H]2[*:1])c(=O)[nH]c1C
NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)cc1 c1csc(c1)[*:1] NC(=O)c1ccc(cc1)NC(=O)COC(=O)c1c2CCC(=C[*:1])c2nc2ccccc12
NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)cc1 NC(=O)[*:1] O=C(COC(=O)c1c2CC/C(=C\c3cccs3)c2nc2ccccc12)Nc1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(COC(=O)c1c2CC/C(=C\c3cccs3)c2nc2ccccc12)N[*:1]
CO[C@]1(C)C[C@H]([NH2+]CCNS(=O)(=O)c2cccnc2)C1(C)C c1cncc(c1)[*:1] CO[C@]1(C)C[C@H]([NH2+]CCNS(=O)(=O)[*:1])C1(C)C
N#Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1N C1CC1C[*:1] N#Cc1ccc(cc1N)N1CC[NH+](CC1)[*:1]
N#Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1N C1CC1[*:1] N#Cc1ccc(cc1N)N1CC[NH+](CC1)C[*:1]
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1-c1ccc(/C=N/NC(=O)[*:1])o1)[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] Cc1ccc(cc1-c1ccc(/C=N/NC(=O)c2ccc(cc2)[*:1])o1)[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] Cc1ccc(cc1-c1ccc(/C=N/NC(=O)c2ccc(cc2)[N+](=O)[O-])o1)[*:1]
COc1cc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc(OC)c1OC O=C(NCc1ccccc1)[*:1] COc1cc(cc(OC)c1OC)-n1c(N)c(c2nc3ccccc3nc21)[*:1]
COc1cc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-n1c(N)c(C(=O)NC[*:1])c2nc3ccccc3nc21
COc1cc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc(OC)c1OC c1ccc(cc1)C[*:1] COc1cc(cc(OC)c1OC)-n1c(N)c(C(=O)N[*:1])c2nc3ccccc3nc21
COc1cc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc(OC)c1OC COc1cc(cc(OC)c1OC)[*:1] Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1[*:1]
CC(=O)CCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 CC(=O)CC[*:1] Cc1ccc(cc1)NC(=O)COc1ccc(cc1)[*:1]
CC(=O)CCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 CC(=O)[*:1] Cc1ccc(cc1)NC(=O)COc1ccc(cc1)CC[*:1]
CC(=O)CCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 CC(=O)C[*:1] Cc1ccc(cc1)NC(=O)COc1ccc(cc1)C[*:1]
CC(=O)CCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CC(=O)CCc1ccc(cc1)OCC(=O)N[*:1]
COc1ccc(C[NH+](C)Cn2nc(-c3ccc(C)cc3)[nH]c2=S)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)C[NH+](C)Cn1nc([nH]c1=S)[*:1]
Cc1ccc([O-])c(CNc2ccc(-n3cccn3)nc2)[nH+]1 c1cnn(c1)[*:1] Cc1ccc([O-])c(CNc2ccc(nc2)[*:1])[nH+]1
C[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 CS(=O)(=O)[*:1] C[C@H](Oc1ccc(cc1)[*:1])c1cccc(c1)[N+](=O)[O-]
C[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](Oc1ccc(cc1)S(C)(=O)=O)c1cccc(c1)[*:1]
CCN1C[C@H](C(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)CC1=O CCC(C)(C)[*:1] CCN1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCN1C[C@H](C(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)CC1=O CCC(C)(C)NC(=O)[*:1] CCN1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](NC(=O)N[C@@H](CCCO)c1ccccc1)[C@H]1CCCO1 OCCC[*:1] C[C@@H](NC(=O)N[C@@H](c1ccccc1)[*:1])[C@H]1CCCO1
C[C@@H](NC(=O)N[C@@H](CCCO)c1ccccc1)[C@H]1CCCO1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@@H](CCCO)[*:1])[C@H]1CCCO1
C[C@@H](NC(=O)N[C@@H](CCCO)c1ccccc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)N[C@@H](CCCO)c1ccccc1)[*:1]
C[C@@H](NC(=O)N[C@@H](CCCO)c1ccccc1)[C@H]1CCCO1 OCC[*:1] C[C@@H](NC(=O)N[C@@H](C[*:1])c1ccccc1)[C@H]1CCCO1
CC(C)(O)C#Cc1ccc(C[NH+]2CCn3cncc3C2)s1 CC(C)(O)C#C[*:1] c1cc(sc1C[NH+]1CCn2cncc2C1)[*:1]
CC(C)(O)C#Cc1ccc(C[NH+]2CCn3cncc3C2)s1 CC(C)(O)[*:1] C(#C[*:1])c1ccc(C[NH+]2CCn3cncc3C2)s1
Cc1noc(CCC(=O)Nc2ccccc2F)n1 Cc1noc(n1)[*:1] O=C(CC[*:1])Nc1ccccc1F
CC(C)(C)c1csc(C[C@H](O)c2cc(F)cc(Br)c2)n1 CC(C)(C)[*:1] O[C@@H](Cc1nc(cs1)[*:1])c1cc(F)cc(Br)c1
COc1ccc(CC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 COc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(CC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 COc1ccc(cc1)C[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CS[C@H]1CCC[C@H]1NC(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 C1C[C@H](CO1)C[*:1] CS[C@H]1CCC[C@H]1NC(=O)NCc1ccc(C)cc1O[*:1]
CS[C@H]1CCC[C@H]1NC(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CS[C@H]1CCC[C@H]1NC(=O)NCc1ccc(C)cc1OC[*:1]
CS[C@H]1CCC[C@H]1NC(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1 C1C[C@H](CO1)CO[*:1] CS[C@H]1CCC[C@H]1NC(=O)NCc1ccc(C)cc1[*:1]
[O-]C(/C=C/c1ccc(F)cc1)=N\c1nc(C(F)(F)F)n[nH]1 Fc1ccc(cc1)[*:1] [O-]/C(C=C[*:1])=N\c1nc(n[nH]1)C(F)(F)F
[O-]C(/C=C/c1ccc(F)cc1)=N\c1nc(C(F)(F)F)n[nH]1 FC(F)(F)[*:1] [O-]C(/C=C/c1ccc(F)cc1)=N\c1nc(n[nH]1)[*:1]
Cn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)C1 Cn1cnnc1S[*:1] O=C(C[*:1])N1CCN(C1)S(=O)(=O)c1ccccc1
Cn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)C1 Cn1cnnc1SC[*:1] O=C(N1CCN(C1)S(=O)(=O)c1ccccc1)[*:1]
Cn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)C1 Cn1cnnc1[*:1] O=C(CS[*:1])N1CCN(C1)S(=O)(=O)c1ccccc1
Cn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] Cn1cnnc1SCC(=O)N1CCN(C1)S(=O)(=O)[*:1]
O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1cnc(-c2ncccn2)s1 c1cnc(nc1)[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1cnc(s1)[*:1]
CCC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCC[NH2+][C@@H](C(=O)N[*:1])c1ccccc1
CCC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCC[NH2+][C@@H](C(=O)Nc1ccccc1)[*:1]
CC(C)N(C(=O)CN1C[C@H](C)OCC1(C)C)C1CCCC1 C1CCC(C1)[*:1] CC(C)N(C(=O)CN1C[C@H](C)OCC1(C)C)[*:1]
CC(C)N(C(=O)CN1C[C@H](C)OCC1(C)C)C1CCCC1 CC(C)[*:1] C[C@H]1CN(CC(=O)N(C2CCCC2)[*:1])C(C)(C)CO1
CC/C(=N\NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccccc1 c1ccc(cc1)[*:1] CCC(=NNC(=O)COc1cc(C)c(Cl)c(C)c1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)C(=O)NCc1ccc(F)cc1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N(C)C(=O)C(=O)NCc1ccc(F)cc1
C[C@@H](Cc1ccsc1)N(C)C(=O)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)C(=O)NC[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)C(=O)NCc1ccc(F)cc1 c1cc(cs1)C[*:1] C[C@@H](N(C)C(=O)C(=O)NCc1ccc(F)cc1)[*:1]
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)C=C2CCSCC2)C1 Fc1ccc(cc1)[*:1] O=C(C=C1CCSCC1)N1CCC[C@@H](C1)C(=O)[*:1]
Cc1cc(C)c(NC(=O)CSc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)c(C)c1 Clc1ccc(O[*:1])c(Cl)c1 Cc1cc(C)c(NC(=O)CSc2nnc(CCC[*:1])o2)c(C)c1
Cc1cc(C)c(NC(=O)CSc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)c(C)c1 Clc1ccc(OC[*:1])c(Cl)c1 Cc1cc(C)c(NC(=O)CSc2nnc(CC[*:1])o2)c(C)c1
Cc1cc(C)c(NC(=O)CSc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)N[*:1]
Cc1cc(C)c(NC(=O)CSc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)c(C)c1 Clc1ccc(c(Cl)c1)[*:1] Cc1cc(C)c(NC(=O)CSc2nnc(CCCO[*:1])o2)c(C)c1
Clc1ccc(C[NH2+]Cc2ccc(-n3cccn3)cc2)o1 c1cnn(c1)[*:1] Clc1ccc(C[NH2+]Cc2ccc(cc2)[*:1])o1
Clc1ccc(C[NH2+]Cc2ccc(-n3cccn3)cc2)o1 Clc1ccc(o1)[*:1] c1cnn(c1)-c1ccc(cc1)C[NH2+]C[*:1]
O=C(CC[C@H]1NC(=O)NC1=O)NCc1cnn(-c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] O=C(CC[C@H]1NC(=O)NC1=O)NCc1cnn(c1)[*:1]
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)C=C[*:1]
CN(CCc1cnn(C)c1)c1nc2nonc2nc1NC1CCCC1 C1CCC(C1)[*:1] CN(CCc1cnn(C)c1)c1nc2nonc2nc1N[*:1]
CN(CCc1cnn(C)c1)c1nc2nonc2nc1NC1CCCC1 Cn1cc(cn1)CC[*:1] CN(c1nc2nonc2nc1NC1CCCC1)[*:1]
CN(CCc1cnn(C)c1)c1nc2nonc2nc1NC1CCCC1 C1CCC(C1)N[*:1] CN(CCc1cnn(C)c1)c1nc2nonc2nc1[*:1]
CN(CCc1cnn(C)c1)c1nc2nonc2nc1NC1CCCC1 Cn1cc(cn1)[*:1] CN(CC[*:1])c1nc2nonc2nc1NC1CCCC1
CN(CCc1cnn(C)c1)c1nc2nonc2nc1NC1CCCC1 Cn1cc(cn1)C[*:1] CN(C[*:1])c1nc2nonc2nc1NC1CCCC1
COc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@@H]1C=C(c2ccccc2)N=N1 c1ccc(cc1)[*:1] COc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@@H]1C=C(N=N1)[*:1]
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)C3CCCC3)sc2c1 C1CO[C@@H](C1)C[*:1] Cc1ccc2nc(sc2c1)N(C(=O)C1CCCC1)[*:1]
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)C3CCCC3)sc2c1 C1CCC(C1)[*:1] Cc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)[*:1]
CCOc1ccc([C@H]2[C@H](n3cnnn3)C(=O)N2Cc2ccc(C)cc2)cc1 c1nnnn1[*:1] CCOc1ccc(cc1)[C@H]1[C@H](C(=O)N1Cc1ccc(C)cc1)[*:1]
CCOc1ccc([C@H]2[C@H](n3cnnn3)C(=O)N2Cc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1[C@@H](C(=O)N1C[*:1])n1cnnn1
CCOc1ccc([C@H]2[C@H](n3cnnn3)C(=O)N2Cc2ccc(C)cc2)cc1 Cc1ccc(cc1)C[*:1] CCOc1ccc(cc1)[C@H]1[C@@H](C(=O)N1[*:1])n1cnnn1
CCOc1ccc([C@H]2[C@H](n3cnnn3)C(=O)N2Cc2ccc(C)cc2)cc1 CCO[*:1] Cc1ccc(cc1)CN1C(=O)[C@H]([C@@H]1c1ccc(cc1)[*:1])n1cnnn1
CCOc1ccc([C@H]2[C@H](n3cnnn3)C(=O)N2Cc2ccc(C)cc2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)[C@H]([C@@H]1[*:1])n1cnnn1
CC1(C)CCC(C(=O)[O-])(C2CCCCC2)CC1 O=C([O-])[*:1] CC1(C)CCC(CC1)(C1CCCCC1)[*:1]
O=C(NC[C@H]1CC[C@H](C(=O)[O-])O1)c1ccccc1O O=C([O-])[*:1] O=C(NC[C@H]1CC[C@H](O1)[*:1])c1ccccc1O
CO[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C CO[C@H](C)[*:1] Cc1cccc(O[C@H](C)C(=O)NNC(=O)[*:1])c1C
C[C@H](OCc1cc(F)ccc1N)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](OCc1cc(F)ccc1N)[*:1]
CN1c2ccccc2C(=O)N[C@H]1c1cccs1 c1csc(c1)[*:1] CN1c2ccccc2C(=O)N[C@@H]1[*:1]
O=C(NCc1cccnc1)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 c1cncc(c1)C[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)N[*:1]
O=C(NCc1cccnc1)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1cccnc1)N[C@@H]1CCC[C@H]1[*:1]
O=C(NCc1cccnc1)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 c1cncc(c1)[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@@H]1c1ccc(F)cc1
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCC[C@@H](O)c1ccccc1 Clc1ccc(cc1)[*:1] Cc1nn(cc1C(=O)NCC[C@@H](O)c1ccccc1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCC[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] Cc1nn(cc1C(=O)NCC[*:1])-c1ccc(Cl)cc1
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCC[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(cc1C(=O)NCC[C@@H](O)[*:1])-c1ccc(Cl)cc1
C[C@H](c1ccncc1)[C@@H]([NH3+])c1ccco1 c1coc(c1)[*:1] C[C@H](c1ccncc1)[C@@H]([NH3+])[*:1]
O=C(Nc1ccc2c(c1)COC2)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 Clc1ccc(cc1Cl)[*:1] O=C(Nc1ccc2COCc2c1)c1ccn(n1)[*:1]
COC(=O)[C@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)C(C)C COC(=O)[*:1] CC(C)[C@@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)[*:1]
COC(=O)[C@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)C(C)C Fc1cccc(c1)[*:1] COC(=O)[C@H](NC(=O)[C@@H](C)O[*:1])C(C)C
COC(=O)[C@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)[*:1]
COc1ccccc1OCC(=O)N1CCCc2cc(C(F)(F)F)ccc21 COc1ccccc1[*:1] O=C(CO[*:1])N1CCCc2cc(ccc21)C(F)(F)F
COc1ccccc1OCC(=O)N1CCCc2cc(C(F)(F)F)ccc21 FC(F)(F)[*:1] COc1ccccc1OCC(=O)N1CCCc2cc(ccc21)[*:1]
COc1ccccc1-n1cnnc1SCc1cc2ccc(C)cc2nc1Cl COc1ccccc1[*:1] Cc1ccc2cc(CSc3nncn3[*:1])c(Cl)nc2c1
COC(=O)c1ccc(S(=O)(=O)NCCc2nc(C)no2)cc1 COC(=O)[*:1] Cc1noc(CCNS(=O)(=O)c2ccc(cc2)[*:1])n1
COC(=O)c1ccc(S(=O)(=O)NCCc2nc(C)no2)cc1 Cc1noc(n1)[*:1] COC(=O)c1ccc(cc1)S(=O)(=O)NCC[*:1]
COC(=O)c1ccc(S(=O)(=O)NCCc2nc(C)no2)cc1 Cc1noc(C[*:1])n1 COC(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
COc1ccc(-c2nc(C(=O)NCC3(O)CCOCC3)cs2)cc1 OC1(CCOCC1)C[*:1] COc1ccc(cc1)-c1nc(cs1)C(=O)N[*:1]
COc1ccc(-c2nc(C(=O)NCC3(O)CCOCC3)cs2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1(O)CCOCC1)c1csc(n1)[*:1]
COc1ccc(-c2nc(C(=O)NCC3(O)CCOCC3)cs2)cc1 OC1(CCOCC1)[*:1] COc1ccc(cc1)-c1nc(cs1)C(=O)NC[*:1]
C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)[C@@H]1C CN(C)C(=O)[*:1] C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2[*:1])[C@@H]1C
Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](C(=O)c1cc3ccccc3o1)CC(=O)N2 Brc1ccc(cc1)[*:1] Cc1nn(c2NC(=O)C[C@H](C(=O)c3cc4ccccc4o3)c12)[*:1]
Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](C(=O)c1cc3ccccc3o1)CC(=O)N2 c1ccc2oc(cc2c1)[*:1] Cc1nn(-c2ccc(Br)cc2)c2NC(=O)C[C@H](C(=O)[*:1])c12
COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n12 O=[N+]([O-])c1ccc([O-])c(c1)[*:1] COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1sc(=C[*:1])c(=O)n12
COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n12 COC(=O)[*:1] C[C@@]12N=c3s/c(=C\c4cc(ccc4[O-])[N+](=O)[O-])c(=O)n3[C@@H](c3ccccc3O1)[C@@H]2[*:1]
COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n12 O=[N+]([O-])[*:1] COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cc(ccc3[O-])[*:1])c(=O)n12
CC(C)c1nnc(NC(=O)[C@@H]2CCO[C@H]2C)s1 CC(C)[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1nnc(s1)[*:1]
O=C(c1cccc(NCc2c(Cl)cccc2Cl)c1)N1CCC[C@@H](O)C1 Clc1cccc(Cl)c1[*:1] O=C(c1cccc(c1)NC[*:1])N1CCC[C@@H](O)C1
CC(=O)N1CC[C@@H](NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CC(=O)N1CC[C@@H](NC(=O)[C@@H](O)[*:1])c2ccccc21
CC(=O)N1CC[C@@H](NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 O[C@@H](c1ccccc1)[*:1] CC(=O)N1CC[C@@H](NC(=O)[*:1])c2ccccc21
Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2C(C)C)n1 Cc1cc(C)n(n1)[*:1] CC(C)n1c(nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C)[*:1]
Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2C(C)C)n1 Clc1cccc(c1)[*:1] Cc1cc(C)n(n1)-c1nc2c(c(=O)n(C[*:1])c(=O)n2C)n1C(C)C
Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2C(C)C)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1nc2c(c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)n1[*:1]
Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2C(C)C)n1 Clc1cccc(c1)C[*:1] Cc1cc(C)n(n1)-c1nc2c(c(=O)n(c(=O)n2C)[*:1])n1C(C)C
CSc1cccc(NC(=O)CN2C(=O)C(C)(C)c3ccccc32)c1 CSc1cccc(c1)[*:1] CC1(C)C(=O)N(CC(=O)N[*:1])c2ccccc21
CO[C@@]1(C)C[C@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)C1(C)C CS(=O)(=O)[*:1] CO[C@@]1(C)C[C@H](NC(=O)c2ccc(cc2)C[*:1])C1(C)C
CO[C@@]1(C)C[C@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)C1(C)C CS(=O)(=O)C[*:1] CO[C@@]1(C)C[C@H](NC(=O)c2ccc(cc2)[*:1])C1(C)C
Cc1ccc(N(C)C(=O)COc2cccc(NC(=O)C3CC3)c2)cc1 O=C(N[*:1])C1CC1 Cc1ccc(cc1)N(C)C(=O)COc1cccc(c1)[*:1]
Cc1ccc(N(C)C(=O)COc2cccc(NC(=O)C3CC3)c2)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)COc1cccc(c1)NC(=O)C1CC1)[*:1]
Cc1ccc(N(C)C(=O)COc2cccc(NC(=O)C3CC3)c2)cc1 C1CC1[*:1] Cc1ccc(cc1)N(C)C(=O)COc1cccc(c1)NC(=O)[*:1]
COCc1cccc(CNC(=O)N2CCO[C@@H](C)C2)c1 COC[*:1] C[C@H]1CN(CCO1)C(=O)NCc1cccc(c1)[*:1]
Cc1cc(-c2cc(NCc3ccncc3)nc3[nH]ccc23)cnc1N c1cc(ccn1)C[*:1] Cc1cc(cnc1N)-c1cc(nc2[nH]ccc12)N[*:1]
Cc1cc(-c2cc(NCc3ccncc3)nc3[nH]ccc23)cnc1N c1cc(ccn1)CN[*:1] Cc1cc(cnc1N)-c1cc(nc2[nH]ccc12)[*:1]
Cc1cc(-c2cc(NCc3ccncc3)nc3[nH]ccc23)cnc1N c1cc(ccn1)[*:1] Cc1cc(cnc1N)-c1cc(nc2[nH]ccc12)NC[*:1]
Cc1cc(-c2cc(NCc3ccncc3)nc3[nH]ccc23)cnc1N Cc1cc(cnc1N)[*:1] c1cc(ccn1)CNc1cc(c2cc[nH]c2n1)[*:1]
COCC[C@H](C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 COC[*:1] C[C@H]1CCC[C@](CNC(=O)[C@@H](C)C[*:1])(C1)[NH+](C)C
COCC[C@H](C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 COCC[C@H](C)[*:1] C[C@H]1CCC[C@](CNC(=O)[*:1])(C1)[NH+](C)C
COCC[C@H](C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 COCC[*:1] C[C@H]1CCC[C@](CNC(=O)[C@@H](C)[*:1])(C1)[NH+](C)C
CC(=O)Nc1cccc(NC(=O)CSc2nc(-c3ccccc3)c3nc(C)sc3n2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nc(c2nc(C)sc2n1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc(-c3ccccc3)c3nc(C)sc3n2)c1 CC(=O)N[*:1] Cc1nc2c(nc(nc2s1)SCC(=O)Nc1cccc(c1)[*:1])-c1ccccc1
CC(=O)Nc1cccc(NC(=O)CSc2nc(-c3ccccc3)c3nc(C)sc3n2)c1 CC(=O)Nc1cccc(c1)[*:1] Cc1nc2c(nc(nc2s1)SCC(=O)N[*:1])-c1ccccc1
CC1(C)CC(=O)C2=C(C1)NC1=NC(SCc3ccccc3)=NC(=O)[C@@H]1[C@H]2c1ccncc1 c1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)NC1=NC(=NC(=O)[C@@H]1[C@H]2c1ccncc1)SC[*:1]
CC1(C)CC(=O)C2=C(C1)NC1=NC(SCc3ccccc3)=NC(=O)[C@@H]1[C@H]2c1ccncc1 c1ccc(cc1)C[*:1] CC1(C)CC(=O)C2=C(C1)NC1=NC(=NC(=O)[C@@H]1[C@H]2c1ccncc1)S[*:1]
CC1(C)CC(=O)C2=C(C1)NC1=NC(SCc3ccccc3)=NC(=O)[C@@H]1[C@H]2c1ccncc1 c1cc(ccn1)[*:1] CC1(C)CC(=O)C2=C(C1)NC1=NC(=NC(=O)[C@@H]1[C@@H]2[*:1])SCc1ccccc1
CC(C)CCNc1[nH+]cccc1N CC(C)C[*:1] Nc1ccc[nH+]c1NC[*:1]
CC(C)CCNc1[nH+]cccc1N CC(C)[*:1] Nc1ccc[nH+]c1NCC[*:1]
CC(C)c1ccc2c(c1)=C1CCC/C(=N\O)[C@H]1[NH+]=2 CC(C)[*:1] O/N=C1\CCCC2=c3cc(ccc3=[NH+][C@@H]21)[*:1]
COc1ccccc1C(=O)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 COc1ccccc1[*:1] O=C(N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1)[*:1]
COc1ccccc1C(=O)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 c1cncc(c1)[*:1] COc1ccccc1C(=O)N(C[*:1])c1nc2c(F)cc(F)cc2s1
COc1ccccc1C(=O)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 c1cncc(c1)C[*:1] COc1ccccc1C(=O)N(c1nc2c(F)cc(F)cc2s1)[*:1]
O=C(NC[C@H]1CCC[C@@H]1O)c1cccnc1SCC1CCCCC1 C1CCC(CC1)[*:1] O=C(NC[C@H]1CCC[C@@H]1O)c1cccnc1SC[*:1]
O=C(NC[C@H]1CCC[C@@H]1O)c1cccnc1SCC1CCCCC1 C1CCC(CC1)CS[*:1] O=C(NC[C@H]1CCC[C@@H]1O)c1cccnc1[*:1]
O=C(NC[C@H]1CCC[C@@H]1O)c1cccnc1SCC1CCCCC1 C1CCC(CC1)C[*:1] O=C(NC[C@H]1CCC[C@@H]1O)c1cccnc1S[*:1]
C[NH+](C)C(C)(C)CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] C[NH+](C)C(C)(C)CNC(=O)NCc1ccc(cc1)NC(=O)[*:1]
C[NH+](C)C(C)(C)CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 C[NH+](C)C(C)(C)CNC(=O)NCc1ccc(cc1)[*:1]
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(OC2CCCCC2)cc1 C1CCC(CC1)O[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(OC2CCCCC2)cc1 C1CCC(CC1)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(cc1)O[*:1]
O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)Nc1cccc(F)c1 O=C(Nc1cccc(F)c1)[*:1] O=c1c2SCCc2nc(SC[*:1])n1-c1ccc(cc1)[N+](=O)[O-]
O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)Nc1cccc(F)c1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CSc1nc2CCSc2c(=O)n1[*:1])Nc1cccc(F)c1
O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CSc1nc2CCSc2c(=O)n1-c1ccc(cc1)[N+](=O)[O-])N[*:1]
O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)Nc1cccc(F)c1 O=[N+]([O-])[*:1] O=C(CSc1nc2CCSc2c(=O)n1-c1ccc(cc1)[*:1])Nc1cccc(F)c1
Cc1nnc(NCCCC(=O)NC2CC2)c(C(N)=S)c1C C1CC1[*:1] Cc1nnc(NCCCC(=O)N[*:1])c(C(N)=S)c1C
Cc1nnc(NCCCC(=O)NC2CC2)c(C(N)=S)c1C O=C(NC1CC1)[*:1] Cc1nnc(NCCC[*:1])c(C(N)=S)c1C
Cc1nnc(NCCCC(=O)NC2CC2)c(C(N)=S)c1C NC(=S)[*:1] Cc1nnc(NCCCC(=O)NC2CC2)c(c1C)[*:1]
Cc1nnc(NCCCC(=O)NC2CC2)c(C(N)=S)c1C O=C(C[*:1])NC1CC1 Cc1nnc(NCC[*:1])c(C(N)=S)c1C
CCn1cc(C)c(C(=O)[O-])c1CC(=O)N1CC[NH+](C)CC1 O=C([O-])[*:1] CCn1cc(C)c(c1CC(=O)N1CC[NH+](C)CC1)[*:1]
CCCc1nnc(NC(=O)CCc2c[nH]c3ccc(C)cc23)s1 CCC[*:1] Cc1ccc2[nH]cc(CCC(=O)Nc3nnc(s3)[*:1])c2c1
CCCC[NH+](C)Cc1cccc(C(F)(F)F)c1 CCCC[*:1] C[NH+](Cc1cccc(c1)C(F)(F)F)[*:1]
CCCC[NH+](C)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCCC[NH+](C)Cc1cccc(c1)[*:1]
CCCC[NH+](C)Cc1cccc(C(F)(F)F)c1 CCC[*:1] C[NH+](Cc1cccc(c1)C(F)(F)F)C[*:1]
O=C(Nc1nc2c(s1)CN(CC(=O)N1CCOCC1)CC2)c1ccco1 O=C(N1CCOCC1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C[*:1])c1ccco1
O=C(Nc1nc2c(s1)CN(CC(=O)N1CCOCC1)CC2)c1ccco1 c1coc(c1)[*:1] O=C(CN1CCc2nc(NC(=O)[*:1])sc2C1)N1CCOCC1
O=C(Nc1nc2c(s1)CN(CC(=O)N1CCOCC1)CC2)c1ccco1 O=C(N[*:1])c1ccco1 O=C(CN1CCc2nc(sc2C1)[*:1])N1CCOCC1
Fc1ccc2c(c1)CCN(c1nnc(-c3ccccc3)s1)C2 c1ccc(cc1)[*:1] Fc1ccc2CN(CCc2c1)c1nnc(s1)[*:1]
CCN(c1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1)S(C)(=O)=O C1CO[C@H](C1)CN[*:1] CCN(c1ccc(cc1)-c1csc(n1)[*:1])S(C)(=O)=O
CCN(c1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] c1cc(ccc1-c1csc(n1)NC[C@H]1CCCO1)[*:1]
CCN(c1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1)S(C)(=O)=O C1CO[C@H](C1)[*:1] CCN(c1ccc(cc1)-c1csc(n1)NC[*:1])S(C)(=O)=O
CC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)cn1N c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)CSc1nc(cn1N)[*:1]
CC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)cn1N CC[C@@H](C)NC(=O)[*:1] Nn1cc(nc1SC[*:1])-c1ccccc1
CC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)cn1N CC[C@@H](C)[*:1] Nn1cc(nc1SCC(=O)N[*:1])-c1ccccc1
COC[C@@H](C)[NH2+][C@@H](C)[C@@H](C)O C[C@@H](O)[*:1] COC[C@@H](C)[NH2+][C@@H](C)[*:1]
COC[C@@H](C)[NH2+][C@@H](C)[C@@H](C)O COC[*:1] C[C@H]([NH2+][C@H](C)[*:1])[C@@H](C)O
CCn1c(SCCOc2ccc(C)cc2)nc2ccccc21 Cc1ccc(cc1)[*:1] CCn1c(nc2ccccc21)SCCO[*:1]
COCCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(C)c(C)cc21 COCC[*:1] Cc1cc2s/c(=N\C(=O)c3ccn(C)n3)n(c2cc1C)[*:1]
COCCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(C)c(C)cc21 COC[*:1] Cc1cc2s/c(=N\C(=O)c3ccn(C)n3)n(C[*:1])c2cc1C
COCCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(C)c(C)cc21 Cn1ccc(n1)[*:1] COCCn1/c(=N/C(=O)[*:1])sc2cc(C)c(C)cc21
C[C@H](NC(=O)CCc1ccc(F)cc1)c1nc2ccccc2[nH]1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CC[*:1])c1nc2ccccc2[nH]1
CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 c1coc(c1)[*:1] CSC1NC(C)=C(C(=O)Nc2ccccc2)[C@H](C=1C#N)[*:1]
CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 c1ccc(cc1)[*:1] CSC1NC(C)=C(C(=O)N[*:1])[C@@H](C=1C#N)c1ccco1
CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 CC(=O)N[*:1] CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 CCOc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 CCO[*:1] CC(=O)Nc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1ccccc1[*:1]
C[C@@H](NC(=O)[C@@H]1COc2ccccc21)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)[C@@H]1COc2ccccc21)c1ccc(cc1)[*:1]
CS(=O)(=O)Nc1cccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 CS(=O)(=O)N[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(=O)NCc1cnc([C@@H]2CCCN2CC(=O)Nc2nccs2)cc1C(F)(F)F O=C(C[*:1])Nc1nccs1 CC(=O)NCc1cnc(cc1C(F)(F)F)[C@@H]1CCCN1[*:1]
CC(=O)NCc1cnc([C@@H]2CCCN2CC(=O)Nc2nccs2)cc1C(F)(F)F O=C(Nc1nccs1)[*:1] CC(=O)NCc1cnc(cc1C(F)(F)F)[C@@H]1CCCN1C[*:1]
CC(=O)NCc1cnc([C@@H]2CCCN2CC(=O)Nc2nccs2)cc1C(F)(F)F FC(F)(F)[*:1] CC(=O)NCc1cnc(cc1[*:1])[C@@H]1CCCN1CC(=O)Nc1nccs1
CC(=O)NCc1cnc([C@@H]2CCCN2CC(=O)Nc2nccs2)cc1C(F)(F)F CC(=O)N[*:1] O=C(CN1CCC[C@H]1c1cc(c(cn1)C[*:1])C(F)(F)F)Nc1nccs1
CC(=O)NCc1cnc([C@@H]2CCCN2CC(=O)Nc2nccs2)cc1C(F)(F)F c1csc(n1)[*:1] CC(=O)NCc1cnc(cc1C(F)(F)F)[C@@H]1CCCN1CC(=O)N[*:1]
CC(=O)NCc1cnc([C@@H]2CCCN2CC(=O)Nc2nccs2)cc1C(F)(F)F CC(=O)NC[*:1] O=C(CN1CCC[C@H]1c1cc(c(cn1)[*:1])C(F)(F)F)Nc1nccs1
O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1 C1CN(CCO1)[*:1] O=C([O-])c1cccc(c1)S(=O)(=O)Nc1ccccc1[*:1]
O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c1 O=C([O-])[*:1] O=S(=O)(Nc1ccccc1N1CCOCC1)c1cccc(c1)[*:1]
Cc1nc2ccccc2c2oc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)cc12 c1ccc(cc1)C[*:1] Cc1nc2ccccc2c2oc(cc12)C(=O)NCCC[NH+]1CCN(CC1)[*:1]
Cc1nc2ccccc2c2oc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)cc12 c1ccc(cc1)[*:1] Cc1nc2ccccc2c2oc(cc12)C(=O)NCCC[NH+]1CCN(CC1)C[*:1]
Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 Cc1ccccc1[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1cnccn1
Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 c1cnc(cn1)[*:1] Cc1ccccc1CNC(=O)[C@@H]1CCCN(C1)[*:1]
CCNC(=O)CO/N=C/c1cc(Cl)c(OC)c(OC)c1 CCNC(=O)[*:1] COc1cc(/C=N/OC[*:1])cc(Cl)c1OC
CCNC(=O)CO/N=C/c1cc(Cl)c(OC)c(OC)c1 CCNC(=O)C[*:1] COc1cc(/C=N/O[*:1])cc(Cl)c1OC
Cc1cc2c(c3c1C(=O)/C(=C/c1ccccn1)O3)CN(Cc1ccc(Cl)c(Cl)c1)CO2 c1ccc(nc1)[*:1] Cc1cc2OCN(Cc3ccc(Cl)c(Cl)c3)Cc2c2OC(=C[*:1])C(=O)c12
Cc1cc2c(c3c1C(=O)/C(=C/c1ccccn1)O3)CN(Cc1ccc(Cl)c(Cl)c1)CO2 Clc1ccc(cc1Cl)C[*:1] Cc1cc2OCN(Cc2c2O/C(=C\c3ccccn3)C(=O)c12)[*:1]
Cc1cc2c(c3c1C(=O)/C(=C/c1ccccn1)O3)CN(Cc1ccc(Cl)c(Cl)c1)CO2 Clc1ccc(cc1Cl)[*:1] Cc1cc2OCN(Cc2c2O/C(=C\c3ccccn3)C(=O)c12)C[*:1]
Cc1cccn2cc(-c3ccc(NC(=O)CNC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc12 Cc1cccn2cc(nc12)[*:1] O=C(CNC(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
Cc1cccn2cc(-c3ccc(NC(=O)CNC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc12 O=[N+]([O-])c1cccc(c1)[*:1] Cc1cccn2cc(nc12)-c1ccc(cc1)NC(=O)CNC(=O)[*:1]
Cc1cccn2cc(-c3ccc(NC(=O)CNC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc12 O=[N+]([O-])[*:1] Cc1cccn2cc(nc12)-c1ccc(cc1)NC(=O)CNC(=O)c1cccc(c1)[*:1]
COCc1c(Cl)cccc1NC(=O)N1CCOC[C@H]1C1CC1 COC[*:1] O=C(Nc1cccc(Cl)c1[*:1])N1CCOC[C@H]1C1CC1
COCc1c(Cl)cccc1NC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] COCc1c(Cl)cccc1NC(=O)N1CCOC[C@@H]1[*:1]
CN(CCCc1ccccc1)C(=O)CC1(O)CCCC1 OC1(CCCC1)[*:1] CN(CCCc1ccccc1)C(=O)C[*:1]
CN(CCCc1ccccc1)C(=O)CC1(O)CCCC1 c1ccc(cc1)[*:1] CN(CCC[*:1])C(=O)CC1(O)CCCC1
C[C@@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N12 O=[N+]([O-])[*:1] C[C@@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](c3ccc(cc3)[*:1])N12
C[C@@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N12 Ic1ccc(cc1)[*:1] C[C@@H]1N=C([C@H]2[C@@H](c3ccc(cc3)[N+](=O)[O-])N12)[*:1]
CCCC(=O)NCCN1CCN(c2nc3ccc(OC)cc3s2)CC1 CCCC(=O)NC[*:1] COc1ccc2nc(sc2c1)N1CCN(CC1)C[*:1]
CCCC(=O)NCCN1CCN(c2nc3ccc(OC)cc3s2)CC1 CCC[*:1] COc1ccc2nc(sc2c1)N1CCN(CCNC(=O)[*:1])CC1
CCCC(=O)NCCN1CCN(c2nc3ccc(OC)cc3s2)CC1 CCCC(=O)NCC[*:1] COc1ccc2nc(sc2c1)N1CCN(CC1)[*:1]
CCCC(=O)NCCN1CCN(c2nc3ccc(OC)cc3s2)CC1 CCCC(=O)N[*:1] COc1ccc2nc(sc2c1)N1CCN(CC1)CC[*:1]
CCOc1ccc(N)c(SCC(=O)NC(=O)NC(C)C)c1 CCO[*:1] CC(C)NC(=O)NC(=O)CSc1cc(ccc1N)[*:1]
CCOc1ccc(N)c(SCC(=O)NC(=O)NC(C)C)c1 CC(C)[*:1] CCOc1ccc(N)c(c1)SCC(=O)NC(=O)N[*:1]
COc1ccc(COC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OC[*:1]
COc1ccc(COC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1 COc1ccc(cc1)C[*:1] CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[*:1]
CC(C)[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F CC(C)[*:1] C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)[*:1]
CC(C)[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F CC(C)[C@@H](C)[*:1] C[C@](NC(=O)[*:1])(C(=O)[O-])C(F)(F)F
CC(C)[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] CC(C)[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])[*:1]
CC(C)[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] CC(C)[C@@H](C)C(=O)N[C@@](C)(C(F)(F)F)[*:1]
COc1cccc(CNS(=O)(=O)c2ccc(Br)s2)c1 Brc1ccc(s1)[*:1] COc1cccc(c1)CNS(=O)(=O)[*:1]
COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cscc2C)C1 Cc1cscc1[*:1] COCCNC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)[*:1]
COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cscc2C)C1 COCC[*:1] Cc1cscc1C(=O)N1C[C@@H](CC[C@H]1C)C(=O)N[*:1]
COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cscc2C)C1 COC[*:1] Cc1cscc1C(=O)N1C[C@@H](CC[C@H]1C)C(=O)NC[*:1]
COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cscc2C)C1 COCCNC(=O)[*:1] Cc1cscc1C(=O)N1C[C@@H](CC[C@H]1C)[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 Clc1ccc(cc1)[*:1] CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1cc(n2CCCc21)[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 CC(C)[*:1] C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2CCCc21)[*:1]
COc1ccccc1C(=O)Nc1cc(C(=O)N2CCOCC2)cn(C)c1=O O=C(N1CCOCC1)[*:1] COc1ccccc1C(=O)Nc1cc(cn(C)c1=O)[*:1]
COc1ccccc1C(=O)Nc1cc(C(=O)N2CCOCC2)cn(C)c1=O COc1ccccc1[*:1] Cn1cc(cc(NC(=O)[*:1])c1=O)C(=O)N1CCOCC1
COc1ccc(N2C(N)=[NH+]C[C@@H]2c2ccccc2C)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)N1C(N)=[NH+]C[C@H]1[*:1]
O=C(Cc1ccccn1)N1CCC(O)(Cn2ncc3ccccc32)CC1 c1ccc(nc1)[*:1] O=C(C[*:1])N1CCC(O)(CC1)Cn1ncc2ccccc21
O=C(Cc1ccccn1)N1CCC(O)(Cn2ncc3ccccc32)CC1 c1ccc(C[*:1])nc1 O=C(N1CCC(O)(CC1)Cn1ncc2ccccc21)[*:1]
Cc1ncccc1N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 Cc1ncccc1[*:1] C[C@H](N[*:1])c1ccc2OCC(=O)Nc2c1
C[C@H](SCc1nc(-c2cccs2)no1)C(=O)Nc1cc(F)ccc1F c1csc(c1)[*:1] C[C@H](SCc1nc(no1)[*:1])C(=O)Nc1cc(F)ccc1F
C[C@H](SCc1nc(-c2cccs2)no1)C(=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] C[C@H](SCc1nc(no1)-c1cccs1)C(=O)N[*:1]
Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(Oc1ccc(/C=N/NC(=O)[*:1])cc1)c1ccc(Cl)cc1Cl
Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)[nH]n1 Clc1ccc(c(Cl)c1)[*:1] Cc1cc([nH]n1)C(=O)N/N=C/c1ccc(cc1)OC(=O)[*:1]
O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1OC[C@H]1CCCO1 FC(F)(F)[*:1] O=C(NCc1cccc(c1)[*:1])c1ccccc1OC[C@H]1CCCO1
CCc1ccsc1CNC(=O)N1CCC(COC)CC1 COC[*:1] CCc1ccsc1CNC(=O)N1CCC(CC1)[*:1]
Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)no1 Cc1cc(no1)[*:1] O=C(N1CCC[C@@H]2CCCC[C@H]21)[*:1]
CCC(=O)N1CCCC[C@H]1C(=O)NCc1cc(CC)no1 CCc1cc(on1)[*:1] CCC(=O)N1CCCC[C@H]1C(=O)NC[*:1]
Cc1c(Cl)ccc2sc(N(CC[NH+]3CCOCC3)C(=O)[C@@H]3COc4ccccc4O3)nc12 c1ccc2O[C@@H](COc2c1)[*:1] Cc1c(Cl)ccc2sc(nc12)N(CC[NH+]1CCOCC1)C(=O)[*:1]
Cc1ccc(C2(O)CCN(C(=O)c3cc(N)ccn3)CC2)nc1 Nc1ccnc(c1)[*:1] Cc1ccc(nc1)C1(O)CCN(CC1)C(=O)[*:1]
Cc1ccc(C2(O)CCN(C(=O)c3cc(N)ccn3)CC2)nc1 Cc1ccc(nc1)[*:1] Nc1ccnc(c1)C(=O)N1CCC(O)(CC1)[*:1]
Cc1cc(C)n2nc(CC(=O)NCC(C3CC3)C3CC3)nc2n1 C1CC1C(C1CC1)[*:1] Cc1cc(C)n2nc(CC(=O)NC[*:1])nc2n1
Cc1cc(C)n2nc(CC(=O)NCC(C3CC3)C3CC3)nc2n1 C1CC1[*:1] Cc1cc(C)n2nc(CC(=O)NCC(C3CC3)[*:1])nc2n1
Cc1ccc2nc(NC(=O)CNC(=O)C3CCCCC3)sc2c1 C1CCC(CC1)[*:1] Cc1ccc2nc(NC(=O)CNC(=O)[*:1])sc2c1
C[C@H](COc1ccccc1C(=O)[O-])C(N)=O O=C([O-])[*:1] C[C@H](COc1ccccc1[*:1])C(N)=O
C[C@H](COc1ccccc1C(=O)[O-])C(N)=O C[C@H](C(N)=O)[*:1] O=C([O-])c1ccccc1OC[*:1]
C[C@H](COc1ccccc1C(=O)[O-])C(N)=O NC(=O)[*:1] C[C@H](COc1ccccc1C(=O)[O-])[*:1]
CC[C@H](C)N(C)C(=O)c1c(O)cc(F)cc1F CC[C@H](C)[*:1] CN(C(=O)c1c(O)cc(F)cc1F)[*:1]
C[C@H](NC(=O)C1=Cc2ccccc2OC1)C(N)=O NC(=O)[*:1] C[C@H](NC(=O)C1=Cc2ccccc2OC1)[*:1]
C[C@H](NC(=O)C1=Cc2ccccc2OC1)C(N)=O C[C@H](C(N)=O)[*:1] O=C(N[*:1])C1=Cc2ccccc2OC1
O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)Nc1ccccc1 c1csc(c1)[*:1] O=C(NC[C@@H](N1CCc2ccccc2C1)[*:1])Nc1ccccc1
O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)N[*:1]
CC[NH2+][C@@H](CC)c1ccn(CC(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC[NH2+][C@@H](CC)c1ccn(c1)C[*:1]
Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)NCc1ccccc1Cl FC(F)(F)[*:1] Cc1noc(-c2cccc(c2)[*:1])c1C(=O)NCc1ccccc1Cl
Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] Cc1noc(-c2cccc(c2)C(F)(F)F)c1C(=O)N[*:1]
Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] Cc1noc(-c2cccc(c2)C(F)(F)F)c1C(=O)NC[*:1]
O=C1c2cccc3cccc(c23)N1C[NH+]1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] O=C1c2cccc3cccc(c23)N1C[NH+]1CCC(CC1)[*:1]
O=C1c2cccc3cccc(c23)N1C[NH+]1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C1c2cccc3cccc(c23)N1C[NH+]1CCC(CC1)C[*:1]
C[NH2+]Cc1cnn(C2CCCC2)c1C(C)C C1CCC(C1)[*:1] C[NH2+]Cc1cnn(c1C(C)C)[*:1]
C[NH2+]Cc1cnn(C2CCCC2)c1C(C)C CC(C)[*:1] C[NH2+]Cc1cnn(c1[*:1])C1CCCC1
CC(C)C(=O)N1CCN(S(=O)(=O)C[C@@H](C)CCl)CC1 CC(C)[*:1] C[C@@H](CCl)CS(=O)(=O)N1CCN(CC1)C(=O)[*:1]
COCc1cccc(NC(=O)c2cccc(C)c2)c1 COC[*:1] Cc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
COc1cccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c1 COc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)-c1noc(n1)[*:1]
N#C[C@@H](C(=O)CCCNC(=O)NC1CCCCC1)c1ccccn1 C1CCC(CC1)[*:1] N#C[C@@H](C(=O)CCCNC(=O)N[*:1])c1ccccn1
N#C[C@@H](C(=O)CCCNC(=O)NC1CCCCC1)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@@H](C(=O)CCCNC(=O)NC1CCCCC1)[*:1]
O=C1CC[C@@]2(C(=O)Nc3nnc(SCc4ccccc4)s3)Sc3ccccc3N12 c1ccc(cc1)CS[*:1] O=C1CC[C@]2(Sc3ccccc3N12)C(=O)Nc1nnc(s1)[*:1]
O=C1CC[C@@]2(C(=O)Nc3nnc(SCc4ccccc4)s3)Sc3ccccc3N12 c1ccc(cc1)C[*:1] O=C1CC[C@]2(Sc3ccccc3N12)C(=O)Nc1nnc(S[*:1])s1
O=C1CC[C@@]2(C(=O)Nc3nnc(SCc4ccccc4)s3)Sc3ccccc3N12 c1ccc(cc1)[*:1] O=C1CC[C@]2(Sc3ccccc3N12)C(=O)Nc1nnc(SC[*:1])s1
NNC(=O)c1cnc2c(F)ccc(F)c2c1[O-] NNC(=O)[*:1] [O-]c1c(cnc2c(F)ccc(F)c12)[*:1]
CCCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4c(C)cccc4C)c(=O)c3s2)C1 Cc1cccc(C)c1NC(=O)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)c1nc2ncn(C[*:1])c(=O)c2s1
CCCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4c(C)cccc4C)c(=O)c3s2)C1 CCC[*:1] Cc1cccc(C)c1NC(=O)Cn1cnc2nc(sc2c1=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4c(C)cccc4C)c(=O)c3s2)C1 Cc1cccc(C)c1[*:1] CCCNC(=O)[C@@H]1CCCN(C1)c1nc2ncn(CC(=O)N[*:1])c(=O)c2s1
CCCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4c(C)cccc4C)c(=O)c3s2)C1 CCCNC(=O)[*:1] Cc1cccc(C)c1NC(=O)Cn1cnc2nc(sc2c1=O)N1CCC[C@H](C1)[*:1]
Cc1c(C)c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2oc1=O c1ccc(cc1)[*:1] Cc1c(C)c2ccc(cc2oc1=O)OCC(=O)N1CCN(CC1)[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H]1CCCC[C@@H]1C Cc1n[nH]c(C)c1[*:1] C[C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H]1[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@@H]1[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[*:1]
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3)S/C2=N\c2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)CN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1ccccc1
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3)S/C2=N\c2ccc(F)cc2)cc1OC COc1ccc(cc1OC)[*:1] O=C(Nc1ccccc1)[C@@H]1CC(=O)N(C[*:1])/C(=N/c2ccc(F)cc2)S1
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3)S/C2=N\c2ccc(F)cc2)cc1OC O=C(Nc1ccccc1)[*:1] COc1ccc(cc1OC)CN1C(=O)C[C@@H](S/C1=N\c1ccc(F)cc1)[*:1]
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3)S/C2=N\c2ccc(F)cc2)cc1OC COc1ccc(cc1OC)C[*:1] O=C(Nc1ccccc1)[C@@H]1CC(=O)N(/C(=N/c2ccc(F)cc2)S1)[*:1]
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3)S/C2=N\c2ccc(F)cc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CN1C(=O)C[C@H](S/C1=N\c1ccc(F)cc1)C(=O)N[*:1]
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(C)cc1C COC[C@@H](C)[*:1] Cc1ccc(/C=C(\C#N)C(=O)O[*:1])c(C)c1
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(C)cc1C COC[*:1] Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)[*:1])c(C)c1
COc1ccc(CNC(=O)COC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 COc1ccc(cc1)[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)OCC(=O)NC[*:1]
COc1ccc(CNC(=O)COC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 COc1ccc(cc1)C[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)OCC(=O)N[*:1]
O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1cc(ccc1F)[*:1]
O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N[C@@H]1CCc2ccccc21 c1ccc(cc1)[*:1] O=C(Cn1c(=O)n(c(=O)c2sccc21)[*:1])N[C@@H]1CCc2ccccc21
Cc1cccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)Nc1ccc(Cl)cc1Cl
Cc1cccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 Clc1ccc(c(Cl)c1)[*:1] Cc1cccc(c1)C(=O)Nc1nnc(SCC(=O)N[*:1])s1
CC(C)[C@H]([NH2+][C@H](C)[C@H](C)c1ccccc1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H]([NH2+][C@H](C)[C@H](C)c1ccccc1)[*:1]
CC(C)[C@H]([NH2+][C@H](C)[C@H](C)c1ccccc1)C(=O)N1CCCC1 CC(C)[*:1] C[C@@H]([NH2+][C@H](C(=O)N1CCCC1)[*:1])[C@H](C)c1ccccc1
CC(C)[C@H]([NH2+][C@H](C)[C@H](C)c1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)[*:1] CC(C)[C@H]([NH2+][C@H](C)[C@H](C)[*:1])C(=O)N1CCCC1
CC(C)(C)OC(=O)N1CCCC[C@@H]1c1nc(-c2ccc(Cl)cc2)cs1 CC(C)(C)[*:1] O=C(O[*:1])N1CCCC[C@@H]1c1nc(cs1)-c1ccc(Cl)cc1
CC(C)(C)OC(=O)N1CCCC[C@@H]1c1nc(-c2ccc(Cl)cc2)cs1 Clc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCCC[C@@H]1c1nc(cs1)[*:1]
CC1=C(CCN(C)C(=O)CN2Cc3ccccc3O[C@H](c3ccsc3)C2)[C@@H](C)N=N1 c1cc(cs1)[*:1] CC1N=N[C@H](C)C=1CCN(C)C(=O)CN1Cc2ccccc2O[C@H](C1)[*:1]
C#CCN(CC(F)(F)F)C(=O)c1cc2ccccc2n1CCOC C#CC[*:1] COCCn1c(cc2ccccc21)C(=O)N(CC(F)(F)F)[*:1]
C#CCN(CC(F)(F)F)C(=O)c1cc2ccccc2n1CCOC FC(F)(F)C[*:1] C#CCN(C(=O)c1cc2ccccc2n1CCOC)[*:1]
C#CCN(CC(F)(F)F)C(=O)c1cc2ccccc2n1CCOC COC[*:1] C#CCN(CC(F)(F)F)C(=O)c1cc2ccccc2n1C[*:1]
C#CCN(CC(F)(F)F)C(=O)c1cc2ccccc2n1CCOC COCC[*:1] C#CCN(CC(F)(F)F)C(=O)c1cc2ccccc2n1[*:1]
C#CCN(CC(F)(F)F)C(=O)c1cc2ccccc2n1CCOC FC(F)(F)[*:1] C#CCN(C[*:1])C(=O)c1cc2ccccc2n1CCOC
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 Clc1cccc(c1Cl)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 COc1ccc(cc1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1Cl)[*:1]
C[C@@H](Cc1cccs1)NC(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] C[C@@H](Cc1cccs1)NC(=O)N(C)[C@H](C)[*:1]
C[C@@H](Cc1cccs1)NC(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] C[C@@H](NC(=O)N(C)[C@H](C)Cc1cccs1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)N(C)[C@H](C)Cc1cccs1
C[C@@H](Cc1cccs1)NC(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] C[C@@H](Cc1cccs1)NC(=O)N(C)[C@H](C)C[*:1]
O=S(=O)(OCC(F)(F)C(F)F)c1cc(F)ccc1F FC(F)C(F)(F)[*:1] O=S(=O)(OC[*:1])c1cc(F)ccc1F
O=S(=O)(OCC(F)(F)C(F)F)c1cc(F)ccc1F FC(F)[*:1] O=S(=O)(OCC(F)(F)[*:1])c1cc(F)ccc1F
COc1ccc(-c2n[nH]cc2CN2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C(=O)N1CCN(CC1)Cc1c[nH]nc1[*:1])N1CCCC1
CC(C)CNC(=O)C1(NC(=O)c2ccc(N3CCCOC3=O)cc2)CCCC1 CC(C)[*:1] O=C(NC1(CCCC1)C(=O)NC[*:1])c1ccc(cc1)N1CCCOC1=O
CC(C)CNC(=O)C1(NC(=O)c2ccc(N3CCCOC3=O)cc2)CCCC1 O=C1OCCCN1[*:1] CC(C)CNC(=O)C1(CCCC1)NC(=O)c1ccc(cc1)[*:1]
CC(C)CNC(=O)C1(NC(=O)c2ccc(N3CCCOC3=O)cc2)CCCC1 CC(C)C[*:1] O=C(NC1(CCCC1)C(=O)N[*:1])c1ccc(cc1)N1CCCOC1=O
CC(C)CNC(=O)C1(NC(=O)c2ccc(N3CCCOC3=O)cc2)CCCC1 CC(C)CNC(=O)[*:1] O=C(NC1(CCCC1)[*:1])c1ccc(cc1)N1CCCOC1=O
O=C(CSc1ccc(F)cc1)NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ccc(F)cc1)NC(=O)N[*:1]
O=C(CSc1ccc(F)cc1)NC(=O)Nc1ccccc1 Fc1ccc(cc1)[*:1] O=C(CS[*:1])NC(=O)Nc1ccccc1
C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O c1ccc(cc1)CC[*:1] C[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[*:1]
C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O
C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O
CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCc3n[nH]cc3C2)CC1 CC(C)(C)[*:1] O=C(CN1CCN(CC1)C(=O)C[NH+]1CCc2n[nH]cc2C1)N[*:1]
CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCc3n[nH]cc3C2)CC1 CC(C)(C)NC(=O)C[*:1] O=C(C[NH+]1CCc2n[nH]cc2C1)N1CCN(CC1)[*:1]
CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCc3n[nH]cc3C2)CC1 CC(C)(C)NC(=O)[*:1] O=C(C[NH+]1CCc2n[nH]cc2C1)N1CCN(CC1)C[*:1]
COc1ccc([C@H](O)CNC(=O)c2cc(C)n(C3CCCCC3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C(=O)NC[C@@H](O)[*:1])c(C)n1C1CCCCC1
COc1ccc([C@H](O)CNC(=O)c2cc(C)n(C3CCCCC3)c2C)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)[C@H](O)CNC(=O)c1cc(C)n(c1C)[*:1]
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-n2cccn2)cc1 Clc1ccc(cc1)[*:1] O=C(N[C@H](C1CC1)[*:1])c1ccc(cc1)-n1cccn1
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-n2cccn2)cc1 C1CC1[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])c1ccc(cc1)-n1cccn1
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(cc1)[*:1]
Cc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1 CC(C)[*:1] Cc1ccc(/C=C(/C#N)C(=O)N[*:1])cc1
COC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O Cc1cccc(c1)NC(=O)C[*:1] COC(=O)c1ccc2c(c1)N(C(=O)c1ccccc1S2(=O)=O)[*:1]
COC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O Cc1cccc(c1)[*:1] COC(=O)c1ccc2c(c1)N(CC(=O)N[*:1])C(=O)c1ccccc1S2(=O)=O
COC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O Cc1cccc(c1)NC(=O)[*:1] COC(=O)c1ccc2c(c1)N(C[*:1])C(=O)c1ccccc1S2(=O)=O
COC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O COC(=O)[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)c2ccccc2S(=O)(=O)c2ccc(cc21)[*:1]
CC/[NH+]=C(/NCc1ccc(F)c(C)c1)NCC1([O-])CCC1 [O-]C1(CCC1)[*:1] CC/[NH+]=C(/NCc1ccc(F)c(C)c1)NC[*:1]
CC/[NH+]=C(/NCc1ccc(F)c(C)c1)NCC1([O-])CCC1 [O-]C1(CCC1)C[*:1] CC/[NH+]=C(/NCc1ccc(F)c(C)c1)N[*:1]
O=C(NNC1=CCCC(O)=C1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] O=C(NNC1C=C(O)CCC=1)c1ccc(cc1)Cn1nnc(n1)[*:1]
CNC(=O)COc1ccc(OCc2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CNC(=O)COc1ccc(cc1)OC[*:1]
CNC(=O)COc1ccc(OCc2c(C)noc2C)cc1 CNC(=O)C[*:1] Cc1noc(C)c1COc1ccc(cc1)O[*:1]
CNC(=O)COc1ccc(OCc2c(C)noc2C)cc1 CNC(=O)CO[*:1] Cc1noc(C)c1COc1ccc(cc1)[*:1]
CNC(=O)COc1ccc(OCc2c(C)noc2C)cc1 CNC(=O)[*:1] Cc1noc(C)c1COc1ccc(cc1)OC[*:1]
CCOC1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC1 CCO[*:1] O=C(Nc1ccc2CCCC(=O)c2c1)C(=O)N1CCC(CC1)[*:1]
O=C([O-])c1ccc2c(=O)[nH]c(N3CC[NH2+]CC3)nc2c1 O=C([O-])[*:1] O=c1[nH]c(nc2cc(ccc12)[*:1])N1CC[NH2+]CC1
CC(C)(C)NC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2cccnc2)c1=O O=C(NCc1cccnc1)[*:1] CC(C)(C)NC(=O)c1cn(cc(c1=O)[*:1])C1CCCCC1
CC(C)(C)NC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2cccnc2)c1=O CC(C)(C)NC(=O)[*:1] O=C(NCc1cccnc1)c1cn(cc(c1=O)[*:1])C1CCCCC1
CC(C)(C)NC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2cccnc2)c1=O C1CCC(CC1)[*:1] CC(C)(C)NC(=O)c1cn(cc(C(=O)NCc2cccnc2)c1=O)[*:1]
CC(C)(C)NC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2cccnc2)c1=O CC(C)(C)[*:1] O=C(NCc1cccnc1)c1cn(cc(C(=O)N[*:1])c1=O)C1CCCCC1
CC(C)(C)NC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2cccnc2)c1=O c1cncc(c1)[*:1] CC(C)(C)NC(=O)c1cn(cc(C(=O)NC[*:1])c1=O)C1CCCCC1
CC(C)(C)NC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2cccnc2)c1=O c1cncc(c1)C[*:1] CC(C)(C)NC(=O)c1cn(cc(C(=O)N[*:1])c1=O)C1CCCCC1
Nc1ccnc(CN(Cc2ccncc2)C2CC2)n1 C1CC1[*:1] Nc1ccnc(CN(Cc2ccncc2)[*:1])n1
Nc1ccnc(CN(Cc2ccncc2)C2CC2)n1 c1cc(ccn1)[*:1] Nc1ccnc(CN(C[*:1])C2CC2)n1
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)c(Cl)c3N2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)[C@H]1C[C@@H](n2nc(C(=O)N[*:1])c(Cl)c2N1)C(F)(F)F
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)c(Cl)c3N2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)c1nn2c(N[C@H](C[C@@H]2C(F)(F)F)[*:1])c1Cl
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)c(Cl)c3N2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H]1C[C@H](n2nc(C(=O)Nc3ccc4OCOc4c3)c(Cl)c2N1)[*:1]
N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N[C@@H](C[*:1])C(=O)NCc1ccccc1
N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N[C@@H](Cc1ccccc1)C(=O)NC[*:1]
Cc1cc([C@H]2CCCN(C(=O)[C@H]3Oc4ccccc4O[C@H]3C)C2)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC[C@@H](C1)[*:1]
Cc1cc(C)c(C(=O)N(C)CCc2cccs2)c(=O)[nH]1 c1csc(c1)[*:1] Cc1cc(C)c(C(=O)N(C)CC[*:1])c(=O)[nH]1
Cc1cc(C)c(C(=O)N(C)CCc2cccs2)c(=O)[nH]1 c1csc(c1)C[*:1] Cc1cc(C)c(C(=O)N(C)C[*:1])c(=O)[nH]1
CC(C)c1cc(C(=O)N2CC(OCc3cccc4ccccc34)C2)on1 CC(C)[*:1] O=C(c1cc(no1)[*:1])N1CC(C1)OCc1cccc2ccccc12
CC(C)c1cc(C(=O)N2CC(OCc3cccc4ccccc34)C2)on1 CC(C)c1cc(on1)[*:1] O=C(N1CC(C1)OCc1cccc2ccccc12)[*:1]
Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)cs1 CC(C)(C)[*:1] Cc1cc(cs1)C(=O)N1CCC[C@@H](C1)c1nc2ccccn2c1N[*:1]
Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)cs1 Cc1cc(cs1)[*:1] CC(C)(C)Nc1c(nc2ccccn12)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)cs1 CC(C)(C)N[*:1] Cc1cc(cs1)C(=O)N1CCC[C@@H](C1)c1nc2ccccn2c1[*:1]
CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2cccc(OC)c2)ccc1OC COc1cccc(c1)[*:1] CCOc1cc(ccc1OC)[C@H]1CC(=O)N2C(SC[C@@]2(O)[*:1])=C1C#N
CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2cccc(OC)c2)ccc1OC CCO[*:1] COc1cccc(c1)[C@@]1(O)CSC2=C(C#N)[C@H](CC(=O)N21)c1ccc(OC)c(c1)[*:1]
COc1ccc(/C=N/c2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)cc1 COc1ccc(cc1)[*:1] C(=Nc1[nH+]c2ccccc2n1CC[NH+]1CCCCC1)[*:1]
N#Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1F N#Cc1ccccc1[*:1] O=C(CO[*:1])NNC(=O)[C@@H]1C[C@H]1c1ccccc1F
N#Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1F Fc1ccccc1[*:1] N#Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@@H]1[*:1]
Cc1ccc(Cn2nc3ccc(S(=O)(=O)N4CCCCCC4)cn3c2=O)cc1 Cc1ccc(cc1)C[*:1] O=c1n(nc2ccc(cn12)S(=O)(=O)N1CCCCCC1)[*:1]
Cc1ccc(Cn2nc3ccc(S(=O)(=O)N4CCCCCC4)cn3c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1n(C[*:1])nc2ccc(cn12)S(=O)(=O)N1CCCCCC1
Cc1ccc(C(=O)NC[C@H](C)C#N)cc1Cl C[C@H](C#N)[*:1] Cc1ccc(cc1Cl)C(=O)NC[*:1]
Cc1ccc(C(=O)NC[C@H](C)C#N)cc1Cl C[C@H](C#N)C[*:1] Cc1ccc(cc1Cl)C(=O)N[*:1]
Cc1cc(=O)c(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)Nc1cc(ccc1N1CCCC1)C(N)=O
Cc1cc(=O)c(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)nn1-c1ccccc1 C1CCN(C1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)Nc1cc(ccc1[*:1])C(N)=O
Cc1cc(=O)c(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)nn1-c1ccccc1 NC(=O)[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)Nc1cc(ccc1N1CCCC1)[*:1]
Cc1oc(-c2ccccc2)nc1C/C(O)=N/c1ccc(Br)cc1F c1ccc(cc1)[*:1] Cc1oc(nc1C/C(O)=N/c1ccc(Br)cc1F)[*:1]
Cc1oc(-c2ccccc2)nc1C/C(O)=N/c1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] Cc1oc(nc1CC(O)=N[*:1])-c1ccccc1
COc1cccc(CCc2nc(-c3ccc(=O)[nH]c3)no2)c1 O=c1ccc(c[nH]1)[*:1] COc1cccc(c1)CCc1nc(no1)[*:1]
O=C(Nc1ccc(F)cc1F)C(=O)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1F)C(=O)N1CCO[C@H](C1)[*:1]
O=C(Nc1ccc(F)cc1F)C(=O)N1CCO[C@H](c2ccccc2)C1 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])C(=O)N1CCO[C@@H](C1)c1ccccc1
Cc1csc(SCc2ccc(C(=O)N3CCNC(=O)C3)cc2)n1 Cc1csc(n1)[*:1] O=C1CN(CCN1)C(=O)c1ccc(cc1)CS[*:1]
Cc1csc(SCc2ccc(C(=O)N3CCNC(=O)C3)cc2)n1 Cc1csc(n1)S[*:1] O=C1CN(CCN1)C(=O)c1ccc(cc1)C[*:1]
O=C(Nc1ccc(F)cc1F)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])c1cc2CS(=O)(=O)c3ccccc3-c2s1
CC(=O)Nc1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 CC(=O)N[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(cc1)[*:1]
CC(C)(CC(=O)[O-])c1c(F)cc(F)cc1F O=C([O-])C[*:1] CC(C)(c1c(F)cc(F)cc1F)[*:1]
CC(C)(CC(=O)[O-])c1c(F)cc(F)cc1F O=C([O-])[*:1] CC(C)(C[*:1])c1c(F)cc(F)cc1F
CC(C)c1ccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)cc1 CC(C)[*:1] CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(cc1)[*:1]
CC(C)c1ccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)cc1 C1CCC(CC1)[*:1] CC(C)c1ccc(cc1)N(CC(=O)N[*:1])S(C)(=O)=O
CC(C)N(C)S(=O)(=O)N[C@@H](C)c1nnc2ccccn12 CC(C)[*:1] C[C@H](NS(=O)(=O)N(C)[*:1])c1nnc2ccccn12
CCCCN(C)S(=O)(=O)[N-]c1cc(OC)ccc1Cl CCCC[*:1] COc1ccc(Cl)c(c1)[N-]S(=O)(=O)N(C)[*:1]
CCCCN(C)S(=O)(=O)[N-]c1cc(OC)ccc1Cl CCC[*:1] COc1ccc(Cl)c(c1)[N-]S(=O)(=O)N(C)C[*:1]
Cc1cc(NC(=O)Cn2ncc3cc(-c4ccccc4Cl)ccc32)n(C)n1 Clc1ccccc1[*:1] Cc1cc(NC(=O)Cn2ncc3cc(ccc32)[*:1])n(C)n1
Cc1cc(NC(=O)Cn2ncc3cc(-c4ccccc4Cl)ccc32)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(Cn1ncc2cc(ccc21)-c1ccccc1Cl)N[*:1]
Cc1nc(NC(=O)c2cccc(Cl)c2)sc1-c1nc(-c2ccc(F)cc2)no1 Clc1cccc(c1)[*:1] Cc1nc(NC(=O)[*:1])sc1-c1nc(no1)-c1ccc(F)cc1
Cc1nc(NC(=O)c2cccc(Cl)c2)sc1-c1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] Cc1nc(NC(=O)c2cccc(Cl)c2)sc1-c1nc(no1)[*:1]
Cc1csc2nc(COC(=O)CNC(=O)c3ccccc3)cc(=O)n12 c1ccc(cc1)[*:1] Cc1csc2nc(cc(=O)n12)COC(=O)CNC(=O)[*:1]
CC(C)(C)n1cc(NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cn1 FC(F)(F)[*:1] CC(C)(C)n1cc(cn1)NC(=O)N[C@@H](Cc1ccccc1)[*:1]
CC(C)(C)n1cc(NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cn1 c1ccc(cc1)[*:1] CC(C)(C)n1cc(cn1)NC(=O)N[C@@H](C[*:1])C(F)(F)F
CC(C)(C)n1cc(NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cn1 c1ccc(cc1)C[*:1] CC(C)(C)n1cc(cn1)NC(=O)N[C@@H](C(F)(F)F)[*:1]
CC(C)(C)n1cc(NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)[*:1])N[C@@H](Cc1ccccc1)C(F)(F)F
COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccccc1C COC[*:1] Cc1ccccc1[C@@H]1[C@@H](CCC(=O)N1C[*:1])C(=O)[O-]
COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccccc1C Cc1ccccc1[*:1] COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1[*:1]
COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccccc1C COCC[*:1] Cc1ccccc1[C@@H]1[C@@H](CCC(=O)N1[*:1])C(=O)[O-]
COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccccc1C O=C([O-])[*:1] COCCN1C(=O)CC[C@@H]([C@H]1c1ccccc1C)[*:1]
CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br FC(F)(F)[*:1] CCOc1ccc(cc1Br)C(=O)Nc1cccc(c1)[*:1]
CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br CCO[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1ccc(c(Br)c1)[*:1]
O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)N[C@@H]1CCCC[C@@H]1CO C1CCC(C1)[*:1] O=C(N[C@H]1CCCC[C@@H]1O[*:1])N[C@@H]1CCCC[C@@H]1CO
O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)N[C@@H]1CCCC[C@@H]1CO OC[C@H]1CCCC[C@H]1[*:1] O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)N[*:1]
O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)N[C@@H]1CCCC[C@@H]1CO C1CCC(C1)O[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])N[C@@H]1CCCC[C@@H]1CO
Cc1cc(Br)ccc1NC(=O)C(=O)NCc1cc[nH+]c(N(C)C)c1 Cc1cc(Br)ccc1[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)C(=O)N[*:1]
Cc1cc(Br)ccc1NC(=O)C(=O)NCc1cc[nH+]c(N(C)C)c1 CN(C)[*:1] Cc1cc(Br)ccc1NC(=O)C(=O)NCc1cc[nH+]c(c1)[*:1]
CCOc1cccc([C@@H](C)NC(=O)c2ccc(C(=O)N(C)C)cc2)c1 CCO[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(=O)N(C)C)c1cccc(c1)[*:1]
CCOc1cccc([C@@H](C)NC(=O)c2ccc(C(=O)N(C)C)cc2)c1 CN(C)C(=O)[*:1] CCOc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
C[C@@H](SCc1ccnn1C)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] C[C@@H](SCc1ccnn1C)c1cn(nn1)[*:1]
C[C@@H](SCc1ccnn1C)c1cn(-c2ccccc2)nn1 Cn1nccc1C[*:1] C[C@@H](S[*:1])c1cn(nn1)-c1ccccc1
C[C@@H](SCc1ccnn1C)c1cn(-c2ccccc2)nn1 Cn1nccc1[*:1] C[C@@H](SC[*:1])c1cn(nn1)-c1ccccc1
O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(CCc1nnc(o1)[*:1])Nc1ccc2OCOc2c1
COc1ccc(C(=O)N2CCN(Cn3ccc(C(F)(F)F)n3)CC2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)C(=O)N1CCN(CC1)Cn1ccc(n1)[*:1]
COc1ccc(C(=O)N2CCN(Cn3ccc(C(F)(F)F)n3)CC2)cc1OC FC(F)(F)c1ccn(n1)[*:1] COc1ccc(cc1OC)C(=O)N1CCN(CC1)C[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)Cn2cnnn2)cc1 c1nnnn1C[*:1] CC(C)CC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)Cn2cnnn2)cc1 CC(C)CC(=O)N[*:1] O=C(Cn1cnnn1)Nc1ccc(cc1)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)Cn2cnnn2)cc1 CC(C)C[*:1] O=C(Cn1cnnn1)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)Cn2cnnn2)cc1 c1nnnn1[*:1] CC(C)CC(=O)Nc1ccc(cc1)NC(=O)C[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)Cn2cnnn2)cc1 CC(C)[*:1] O=C(Cn1cnnn1)Nc1ccc(cc1)NC(=O)C[*:1]
Cc1c(C)n(Cc2ccncc2)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 Clc1ccc(c(Cl)c1)[*:1] Cc1c(C)n(Cc2ccncc2)c2ncn3nc(nc3c12)[*:1]
Cc1c(C)n(Cc2ccncc2)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 c1cc(ccn1)C[*:1] Cc1c(C)n(c2ncn3nc(nc3c12)-c1ccc(Cl)cc1Cl)[*:1]
Cc1c(C)n(Cc2ccncc2)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 c1cc(ccn1)[*:1] Cc1c(C)n(C[*:1])c2ncn3nc(nc3c12)-c1ccc(Cl)cc1Cl
C[C@H](NC(=O)CSc1nnc2ccccn12)C1CC1 C1CC1[*:1] C[C@H](NC(=O)CSc1nnc2ccccn12)[*:1]
C[C@H](NC(=O)CSc1nnc2ccccn12)C1CC1 C[C@H](C1CC1)[*:1] O=C(CSc1nnc2ccccn12)N[*:1]
COCCn1cnn(CN2CCN(C(=O)c3ccccc3)CC2)c1=S c1ccc(cc1)[*:1] COCCn1cnn(CN2CCN(CC2)C(=O)[*:1])c1=S
COCCn1cnn(CN2CCN(C(=O)c3ccccc3)CC2)c1=S COC[*:1] O=C(c1ccccc1)N1CCN(CC1)Cn1ncn(C[*:1])c1=S
COCCn1cnn(CN2CCN(C(=O)c3ccccc3)CC2)c1=S COCC[*:1] O=C(c1ccccc1)N1CCN(CC1)Cn1ncn(c1=S)[*:1]
C=CC[NH2+][C@@H]1CCOC2(CCC2)C1 C=CC[*:1] C1CC2(C1)C[C@@H](CCO2)[NH2+][*:1]
CCN[C@@H]1c2cc(OC)ccc2CC[C@H]1[NH+](CC)CC CCN[*:1] CC[NH+](CC)[C@@H]1CCc2ccc(cc2[C@H]1[*:1])OC
CC(C)CCNc1ncnc(N2CCC[C@H](C)C2)c1[N+](=O)[O-] CC(C)[*:1] C[C@H]1CCCN(C1)c1ncnc(NCC[*:1])c1[N+](=O)[O-]
CC(C)CCNc1ncnc(N2CCC[C@H](C)C2)c1[N+](=O)[O-] C[C@H]1CCCN(C1)[*:1] CC(C)CCNc1ncnc(c1[N+](=O)[O-])[*:1]
CC(C)CCNc1ncnc(N2CCC[C@H](C)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)CCNc1ncnc(c1[*:1])N1CCC[C@H](C)C1
CC(C)CCNc1ncnc(N2CCC[C@H](C)C2)c1[N+](=O)[O-] CC(C)C[*:1] C[C@H]1CCCN(C1)c1ncnc(NC[*:1])c1[N+](=O)[O-]
CC(C)CCNc1ncnc(N2CCC[C@H](C)C2)c1[N+](=O)[O-] CC(C)CC[*:1] C[C@H]1CCCN(C1)c1ncnc(N[*:1])c1[N+](=O)[O-]
CC(C)CCNc1ncnc(N2CCC[C@H](C)C2)c1[N+](=O)[O-] CC(C)CCN[*:1] C[C@H]1CCCN(C1)c1ncnc(c1[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)NCCNC(=O)Nc2ccc(F)c(F)c2F)cc1F Cc1ccc(cc1F)[*:1] O=C(NCCNC(=O)[*:1])Nc1ccc(F)c(F)c1F
COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccncc3)nn1-c1ccccc1F)C2 c1cc(ccn1)C[*:1] COc1cc2Cc3c(nn(-c4ccccc4F)c3-c2cc1OC)C(=O)N[*:1]
COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccncc3)nn1-c1ccccc1F)C2 Fc1ccccc1[*:1] COc1cc2Cc3c(nn(c3-c2cc1OC)[*:1])C(=O)NCc1ccncc1
COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccncc3)nn1-c1ccccc1F)C2 O=C(NCc1ccncc1)[*:1] COc1cc2Cc3c(nn(-c4ccccc4F)c3-c2cc1OC)[*:1]
COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccncc3)nn1-c1ccccc1F)C2 c1cc(ccn1)[*:1] COc1cc2Cc3c(nn(-c4ccccc4F)c3-c2cc1OC)C(=O)NC[*:1]
Cc1ccccc1O[C@@H](C)C(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccccc1O[C@@H](C)C(=O)O/N=C(\N)c1cccc(c1)[*:1]
Cc1ccccc1O[C@@H](C)C(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1 Cc1ccccc1O[*:1] C[C@@H](C(=O)O/N=C(\N)c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccccc1O[C@@H](C)C(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1 Cc1ccccc1[*:1] C[C@H](O[*:1])C(=O)O/N=C(\N)c1cccc(c1)[N+](=O)[O-]
COc1cccc(-c2nc3ccc(C(=O)N(C)CC[C@@H]4CCCCO4)cc3o2)c1 COc1cccc(c1)[*:1] CN(CC[C@@H]1CCCCO1)C(=O)c1ccc2nc(oc2c1)[*:1]
COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc5ccccc5c4)n3C)oc12 c1ccc2cc(ccc2c1)[*:1] COc1cccc2cc(oc12)-c1nnc(SCC(=O)N[*:1])n1C
O=C1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CN1 C1CN(CCO1)[*:1] O=C1CC[C@@H](CN1)C(=O)NCc1ccc([nH+]c1)[*:1]
O=C1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CN1 O=C1CC[C@H](CN1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCOCC1)[*:1]
C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)[*:1]
C[C@@H]1C[C@H](NC(=O)C2CCN(C(=O)NC3CC3)CC2)CC(C)(C)C1 C1CC1[*:1] C[C@@H]1C[C@@H](CC(C)(C)C1)NC(=O)C1CCN(CC1)C(=O)N[*:1]
Cn1cc(CCOC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])cn1 Cn1cc(cn1)[*:1] O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])OCC[*:1]
Cn1cc(CCOC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])cn1 Cn1cc(cn1)C[*:1] O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])OC[*:1]
Cn1cc(CCOC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)CCOC(=O)/C=C/c1ccc(F)cc1[*:1]
CCOc1cccc2c1OCC(C(=O)N(CC)[C@H]1CC([O-])=NC1=O)=C2 CCO[*:1] CCN(C(=O)C1=Cc2cccc(c2OC1)[*:1])[C@H]1CC([O-])=NC1=O
C[C@@H](C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)c1ccc2ccccc2c1 CN(C)C(=O)[*:1] C[C@@H](C(=O)Nc1ccc(F)c(c1)[*:1])c1ccc2ccccc2c1
CC[C@@H](C)C[C@H](C)NC(=O)N1CCC(c2nc(C)no2)CC1 Cc1noc(n1)[*:1] CC[C@@H](C)C[C@H](C)NC(=O)N1CCC(CC1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)N1CCC(c2nc(C)no2)CC1 CC[C@@H](C)[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)N1CCC(c2nc(C)no2)CC1 CC[C@@H](C)C[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)N[C@@H](C)[*:1]
Cc1c(C(=O)NCCNC(=O)c2cccnc2)cnn1-c1ccncc1 c1cncc(c1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)NCCNC(=O)[*:1]
Cc1c(C(=O)NCCNC(=O)c2cccnc2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)NCCNC(=O)c1cccnc1
COC(=O)c1cncc(C(=O)N[C@H](C)c2cccc(F)c2F)c1 COC(=O)[*:1] C[C@@H](NC(=O)c1cncc(c1)[*:1])c1cccc(F)c1F
O=C(Cn1c(SC(F)F)nc2ccccc21)N1CCCS1(=O)=O FC(F)S[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCCS1(=O)=O
O=C(Cn1c(SC(F)F)nc2ccccc21)N1CCCS1(=O)=O FC(F)[*:1] O=C(Cn1c(nc2ccccc21)S[*:1])N1CCCS1(=O)=O
COc1ccc(CCNC(=O)CCn2ccc3c(Br)cccc32)cc1 COc1ccc(cc1)[*:1] O=C(CCn1ccc2c(Br)cccc21)NCC[*:1]
Cc1cc(NC(=O)[C@H](C)Sc2ncc(-c3ccc(Cl)cc3)o2)no1 Cc1cc(no1)[*:1] C[C@H](Sc1ncc(o1)-c1ccc(Cl)cc1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@H](C)Sc2ncc(-c3ccc(Cl)cc3)o2)no1 Clc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)Sc1ncc(o1)[*:1]
C/[NH+]=C(/NCc1ncnn1C)N[C@@H](C)c1cccc(-n2cccn2)c1 Cn1ncnc1C[*:1] C/[NH+]=C(\N[C@@H](C)c1cccc(c1)-n1cccn1)N[*:1]
C/[NH+]=C(/NCc1ncnn1C)N[C@@H](C)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C/[NH+]=C(/NCc1ncnn1C)N[C@@H](C)c1cccc(c1)[*:1]
C/[NH+]=C(/NCc1ncnn1C)N[C@@H](C)c1cccc(-n2cccn2)c1 Cn1ncnc1[*:1] C/[NH+]=C(/NC[*:1])N[C@@H](C)c1cccc(c1)-n1cccn1
Cc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3)n2)c1 Cc1cccc(c1)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1ccccc1)N[*:1]
Cc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CSc1n[nH]c(n1)NN=C[*:1]
COc1ccc([C@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C2)cc1 COc1ccc(cc1)[*:1] O=C([C@@H]1COc2ccccc2O1)N1CC[C@@H](C1)[*:1]
Cc1cc(F)cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] Cc1cc(F)cc(c1)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
Cc1cc(F)cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] Cc1cc(F)cc(c1)C(=O)N[C@@H]1CCCN(C[*:1])C1=O
Cc1cc(F)cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 Cc1cc(F)cc(c1)[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)NC(=O)[*:1]
CCCC[C@H](CC1CCCC1)[NH2+]C(C)C C1CCC(C1)[*:1] CCCC[C@H](C[*:1])[NH2+]C(C)C
CCCC[C@H](CC1CCCC1)[NH2+]C(C)C CCC[*:1] CC(C)[NH2+][C@@H](CC1CCCC1)C[*:1]
CCCC[C@H](CC1CCCC1)[NH2+]C(C)C CC(C)[*:1] CCCC[C@H](CC1CCCC1)[NH2+][*:1]
CCCC[C@H](CC1CCCC1)[NH2+]C(C)C CCCC[*:1] CC(C)[NH2+][C@@H](CC1CCCC1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 Cc1noc(C)c1[*:1] C[C@H]1CCN(C(=O)CN2CCN(CC2)S(=O)(=O)[*:1])c2ccccc2S1
C#Cc1cccc(NC(=O)NCCCOC)c1 COCC[*:1] C#Cc1cccc(c1)NC(=O)NC[*:1]
C#Cc1cccc(NC(=O)NCCCOC)c1 COCCC[*:1] C#Cc1cccc(c1)NC(=O)N[*:1]
C#Cc1cccc(NC(=O)NCCCOC)c1 COC[*:1] C#Cc1cccc(c1)NC(=O)NCC[*:1]
COCCOc1cc(C)ccc1NC(=O)c1ccc2cc[nH]c2c1 COCC[*:1] Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2)c(c1)O[*:1]
COCCOc1cc(C)ccc1NC(=O)c1ccc2cc[nH]c2c1 COC[*:1] Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2)c(c1)OC[*:1]
COCCOc1cc(C)ccc1NC(=O)c1ccc2cc[nH]c2c1 COCCO[*:1] Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2)c(c1)[*:1]
COCCc1nsc(N2CCC(Nc3ccc(F)cc3)CC2)n1 COC[*:1] Fc1ccc(cc1)NC1CCN(CC1)c1nc(C[*:1])ns1
COCCc1nsc(N2CCC(Nc3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] COCCc1nsc(n1)N1CCC(CC1)N[*:1]
COCCc1nsc(N2CCC(Nc3ccc(F)cc3)CC2)n1 COCC[*:1] Fc1ccc(cc1)NC1CCN(CC1)c1nc(ns1)[*:1]
C[NH+](CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[NH+](CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc(cc1)[*:1]
C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)c1cccnc1Cl Clc1ncccc1[*:1] C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)[*:1]
CN(C)C(=O)Cn1cc(Nc2ccc([N+](=O)[O-])c3cnccc23)cn1 O=[N+]([O-])[*:1] CN(C)C(=O)Cn1cc(cn1)Nc1ccc(c2cnccc12)[*:1]
CN(C)C(=O)Cn1cc(Nc2ccc([N+](=O)[O-])c3cnccc23)cn1 CN(C)C(=O)C[*:1] O=[N+]([O-])c1ccc(Nc2cnn(c2)[*:1])c2ccncc12
CN(C)C(=O)Cn1cc(Nc2ccc([N+](=O)[O-])c3cnccc23)cn1 CN(C)C(=O)[*:1] O=[N+]([O-])c1ccc(Nc2cnn(c2)C[*:1])c2ccncc12
CC[C@H](CO)NC(=O)Nc1ccccc1OC(F)(F)F FC(F)(F)O[*:1] CC[C@H](CO)NC(=O)Nc1ccccc1[*:1]
CC[C@H](CO)NC(=O)Nc1ccccc1OC(F)(F)F CC[C@H](CO)[*:1] O=C(Nc1ccccc1OC(F)(F)F)N[*:1]
CC[C@H](CO)NC(=O)Nc1ccccc1OC(F)(F)F FC(F)(F)[*:1] CC[C@H](CO)NC(=O)Nc1ccccc1O[*:1]
Cc1cc(C)c(NC(=O)C2(C)CCCC2)c(C(=O)[O-])c1 O=C([O-])[*:1] Cc1cc(C)c(NC(=O)C2(C)CCCC2)c(c1)[*:1]
Cc1cc(C)c(NC(=O)C2(C)CCCC2)c(C(=O)[O-])c1 CC1(CCCC1)[*:1] Cc1cc(C)c(NC(=O)[*:1])c(c1)C(=O)[O-]
COC(=O)N1CC[C@@H](NC(=O)/C=C(/C)C(C)(C)C)C1 CC(C)(C)[*:1] COC(=O)N1CC[C@H](C1)NC(=O)C=C(C)[*:1]
O=C1COc2cc(NCc3ccccc3F)c(Cl)cc2N1 Fc1ccccc1[*:1] O=C1COc2cc(NC[*:1])c(Cl)cc2N1
O=C(NCCCC(=O)N1CCCC1)c1cc2ccoc2cn1 O=C(N1CCCC1)[*:1] O=C(NCCC[*:1])c1cc2ccoc2cn1
C[C@H](Cc1ccsc1)NC(=O)c1cn(C2C[NH2+]C2)nn1 c1cc(cs1)[*:1] C[C@H](C[*:1])NC(=O)c1cn(nn1)C1C[NH2+]C1
C[C@H](Cc1ccsc1)NC(=O)c1cn(C2C[NH2+]C2)nn1 c1cc(cs1)C[*:1] C[C@H](NC(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
OC1=Nc2c(c(O)nn2C2CCCCC2)[C@H](c2cccnc2)SC1 c1cncc(c1)[*:1] OC1CS[C@@H](c2c(O)nn(c2N=1)C1CCCCC1)[*:1]
OC1=Nc2c(c(O)nn2C2CCCCC2)[C@H](c2cccnc2)SC1 C1CCC(CC1)[*:1] OC1CS[C@@H](c2cccnc2)c2c(O)nn(c2N=1)[*:1]
CCOC(=O)Nc1cccc(NCc2c(Cl)nc3sccn23)c1C CCOC(=O)N[*:1] Cc1c(cccc1[*:1])NCc1c(Cl)nc2sccn12
CC[C@@H](Nc1ccc(CC(N)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](Nc1ccc(cc1)CC(N)=O)[*:1]
CC[C@@H](Nc1ccc(CC(N)=O)cc1)c1ccccc1 NC(=O)[*:1] CC[C@@H](Nc1ccc(cc1)C[*:1])c1ccccc1
CC[C@@H](Nc1ccc(CC(N)=O)cc1)c1ccccc1 NC(=O)C[*:1] CC[C@@H](Nc1ccc(cc1)[*:1])c1ccccc1
C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)S(=O)(=O)Cc1noc(C(C)(C)C)n1 CC(C)(C)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)S(=O)(=O)Cc1noc(n1)[*:1]
Cc1nc([C@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)c2ccccc2)n[nH]1 c1coc(c1)[*:1] Cc1nc(n[nH]1)[C@H](NC(=O)c1ccc([nH]c1=O)[*:1])c1ccccc1
Cc1nc([C@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@H](NC(=O)c1ccc([nH]c1=O)-c1ccco1)[*:1]
Cc1nc([C@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1ccc([nH]c1=O)-c1ccco1
COc1ccccc1CCC(=O)NNC(=O)c1ccncc1 c1cc(ccn1)[*:1] COc1ccccc1CCC(=O)NNC(=O)[*:1]
COc1ccc(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 CC(=O)[*:1] COc1ccc(cc1)CC(=O)N1CCN(CC1)c1ccc(cc1F)[*:1]
COc1ccc(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 COc1ccc(cc1)C[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)C[*:1]
O=C(/C=C/c1c(F)cccc1F)NNC(=O)COc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(/C=C/c1c(F)cccc1F)NNC(=O)CO[*:1]
O=C(/C=C/c1c(F)cccc1F)NNC(=O)COc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] O=C(/C=C/c1c(F)cccc1F)NNC(=O)C[*:1]
O=C(/C=C/c1c(F)cccc1F)NNC(=O)COc1ccc(F)cc1 Fc1cccc(F)c1[*:1] O=C(C=C[*:1])NNC(=O)COc1ccc(F)cc1
CCOC(=O)c1csc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)n1 CCOC(=O)[*:1] O=C(NCc1nc(cs1)[*:1])[C@@H]1C[C@H]1c1ccccc1F
CCOC(=O)c1csc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)n1 Fc1ccccc1[*:1] CCOC(=O)c1csc(CNC(=O)[C@@H]2C[C@@H]2[*:1])n1
Cc1cc(NC(=O)C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)n(C)n1 Cc1cc(n(C)n1)[*:1] C[C@@H]1C[C@H](CN1C(=O)C(=O)N[*:1])c1ccc(F)cc1
Cc1cc(NC(=O)C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)n(C)n1 Fc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)N2C[C@H](C[C@H]2C)[*:1])n(C)n1
Cc1ccc(CNC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)S[C@@H](C)C3)cc1 Cc1ccc(cc1)C[*:1] C[C@H]1Cc2nc(SCC(=O)N[*:1])n(-c3ccccc3)c(=O)c2S1
Cc1ccc(CNC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)S[C@@H](C)C3)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)CSc1nc2C[C@H](C)Sc2c(=O)n1[*:1]
Cc1ccc(CNC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)S[C@@H](C)C3)cc1 Cc1ccc(cc1)[*:1] C[C@H]1Cc2nc(SCC(=O)NC[*:1])n(-c3ccccc3)c(=O)c2S1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnn1C Cn1nccc1[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnn1C CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])C(=O)NCc1ccnn1C
C[S@@](=O)c1ccc(CN(CC#N)C2CCCC2)cc1 C[S@@](=O)[*:1] N#CCN(Cc1ccc(cc1)[*:1])C1CCCC1
C[S@@](=O)c1ccc(CN(CC#N)C2CCCC2)cc1 N#CC[*:1] C[S@@](=O)c1ccc(cc1)CN(C1CCCC1)[*:1]
C[S@@](=O)c1ccc(CN(CC#N)C2CCCC2)cc1 C1CCC(C1)[*:1] C[S@@](=O)c1ccc(cc1)CN(CC#N)[*:1]
CS[C@H](C)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] CS[C@H](C)C[NH2+][C@H](C)c1ccc(c(F)c1)[*:1]
CCn1c(SCC(=O)N(C)Cc2c(F)cccc2Cl)nc2sc(C)c(C)c2c1=O Fc1cccc(Cl)c1[*:1] CCn1c(nc2sc(C)c(C)c2c1=O)SCC(=O)N(C)C[*:1]
CCn1c(SCC(=O)N(C)Cc2c(F)cccc2Cl)nc2sc(C)c(C)c2c1=O Fc1cccc(Cl)c1C[*:1] CCn1c(nc2sc(C)c(C)c2c1=O)SCC(=O)N(C)[*:1]
CCCc1cc(=O)nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 O=[N+]([O-])c1cc(ccc1Cl)[*:1] CCCc1cc(=O)nc([nH]1)-n1nc(cc1NC(=O)[*:1])-c1cccs1
CCCc1cc(=O)nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 CCCc1cc(=O)nc([nH]1)[*:1] O=C(Nc1cc(nn1[*:1])-c1cccs1)c1ccc(Cl)c(c1)[N+](=O)[O-]
CCCc1cc(=O)nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 O=[N+]([O-])[*:1] CCCc1cc(=O)nc([nH]1)-n1nc(cc1NC(=O)c1ccc(Cl)c(c1)[*:1])-c1cccs1
CCCc1cc(=O)nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 c1csc(c1)[*:1] CCCc1cc(=O)nc([nH]1)-n1nc(cc1NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
CCCc1cc(=O)nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 CCC[*:1] O=C(Nc1cc(nn1-c1nc(=O)cc([nH]1)[*:1])-c1cccs1)c1ccc(Cl)c(c1)[N+](=O)[O-]
CC(C)[C@@H](C[NH+](C)C)NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] CC(C)[C@@H](C[NH+](C)C)NC(=O)N[C@@](C)(C(F)(F)F)[*:1]
CC(C)[C@@H](C[NH+](C)C)NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] CC(C)[C@@H](C[NH+](C)C)NC(=O)N[C@@](C)(C(=O)[O-])[*:1]
CC(C)[C@@H](C[NH+](C)C)NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F CC(C)[*:1] C[NH+](C)C[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)[*:1]
CC(C)CCSCc1nc(-c2ccc(C#N)cn2)no1 CC(C)C[*:1] N#Cc1ccc(nc1)-c1noc(CSC[*:1])n1
CC(C)CCSCc1nc(-c2ccc(C#N)cn2)no1 CC(C)[*:1] N#Cc1ccc(nc1)-c1noc(CSCC[*:1])n1
CC(C)CCSCc1nc(-c2ccc(C#N)cn2)no1 CC(C)CC[*:1] N#Cc1ccc(nc1)-c1noc(CS[*:1])n1
CC(C)CCSCc1nc(-c2ccc(C#N)cn2)no1 CC(C)CCS[*:1] N#Cc1ccc(nc1)-c1noc(C[*:1])n1
CCCc1c(N)noc1-c1ccc(C)c(OC)c1 CCC[*:1] COc1cc(ccc1C)-c1onc(N)c1[*:1]
O=C(CSc1ccc(F)cc1)NNC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CSc1ccc(F)cc1)NNC(=O)[*:1]
O=C(CSc1ccc(F)cc1)NNC(=O)c1ccc(Br)cc1 Fc1ccc(cc1)[*:1] O=C(CS[*:1])NNC(=O)c1ccc(Br)cc1
CCO/C=C/C(=O)C(F)(F)F CCO[*:1] O=C(C=C[*:1])C(F)(F)F
Cc1c(CC(=O)N2CCN(C)C(=O)C2)c2c(n1CC(C)C)CC(C)(C)CC2=O CC(C)[*:1] Cc1c(CC(=O)N2CCN(C)C(=O)C2)c2C(=O)CC(C)(C)Cc2n1C[*:1]
Cc1c(CC(=O)N2CCN(C)C(=O)C2)c2c(n1CC(C)C)CC(C)(C)CC2=O CC(C)C[*:1] Cc1c(CC(=O)N2CCN(C)C(=O)C2)c2C(=O)CC(C)(C)Cc2n1[*:1]
Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 Cc1ccccc1[*:1] Nc1nc(C[NH+]2CCC(CC2)Cc2ccccc2)nc(n1)N[*:1]
Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 Cc1ccccc1N[*:1] Nc1nc(C[NH+]2CCC(CC2)Cc2ccccc2)nc(n1)[*:1]
Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(CC2)C[*:1])n1
Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(CC2)[*:1])n1
C#CCn1/c(=N/C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc(F)cc(F)c21 c1csc(c1)[*:1] C#CCn1/c(=N/C(=O)[C@H]2CCCN2S(=O)(=O)[*:1])sc2cc(F)cc(F)c21
C#CCn1/c(=N/C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc(F)cc(F)c21 C#CC[*:1] O=C(/N=c1\sc2cc(F)cc(F)c2n1[*:1])[C@H]1CCCN1S(=O)(=O)c1cccs1
COc1ccc(C)cc1CN1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 COc1ccc(C)cc1[*:1] c1csc(c1)-c1cc(C[NH+]2CCN(CC2)C[*:1])no1
COc1ccc(C)cc1CN1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 c1csc(c1)[*:1] COc1ccc(C)cc1CN1CC[NH+](CC1)Cc1cc(on1)[*:1]
Cc1nccc2c1=C[C@@H](C(=O)N[C@@H](C)c1ccccc1)C(=O)[NH+]=2 c1ccc(cc1)[*:1] Cc1nccc2=[NH+]C(=O)[C@@H](C=c12)C(=O)N[C@@H](C)[*:1]
Cn1c(C(=O)N(C/C=C/c2ccccc2)CCO)cc2ccccc21 c1ccc(cc1)[*:1] Cn1c(cc2ccccc21)C(=O)N(CC=C[*:1])CCO
Cn1c(C(=O)N(C/C=C/c2ccccc2)CCO)cc2ccccc21 C(=C[*:1])c1ccccc1 Cn1c(cc2ccccc21)C(=O)N(CCO)C[*:1]
Cn1c(C(=O)N(C/C=C/c2ccccc2)CCO)cc2ccccc21 OCC[*:1] Cn1c(cc2ccccc21)C(=O)N(C/C=C/c1ccccc1)[*:1]
O=C(c1ccnn1C(F)F)N1CCN(c2nc3ccccc3s2)CC1 FC(F)n1nccc1[*:1] O=C(N1CCN(CC1)c1nc2ccccc2s1)[*:1]
O=C(c1ccnn1C(F)F)N1CCN(c2nc3ccccc3s2)CC1 FC(F)[*:1] O=C(c1ccnn1[*:1])N1CCN(CC1)c1nc2ccccc2s1
Cc1cscc1-c1nnc([C@H](N)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cscc1-c1nnc(s1)[C@H](N)[*:1]
Cc1cscc1-c1nnc([C@H](N)c2ccccc2)s1 Cc1cscc1[*:1] N[C@H](c1ccccc1)c1nnc(s1)[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)NCCC(=O)N1CCC[C@@H]1c1nc(no1)[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)[*:1])N1CCC[C@@H]1c1nc(no1)-c1ccc(Cl)cc1
CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(NC(C)(C)C)c2[N+](=O)[O-])C1 CC(C)(C)N[*:1] CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(c2[N+](=O)[O-])[*:1])C1
CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(NC(C)(C)C)c2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(NC(C)(C)C)c2[*:1])C1
CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(NC(C)(C)C)c2[N+](=O)[O-])C1 CC(C)(C)[*:1] CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(N[*:1])c2[N+](=O)[O-])C1
COC(=O)[C@@H](Oc1ccc(C=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](Oc1ccc(C=O)cc1)[*:1]
COC(=O)[C@@H](Oc1ccc(C=O)cc1)c1ccccc1 COC(=O)[*:1] O=Cc1ccc(cc1)O[C@@H](c1ccccc1)[*:1]
C#CCN(CC1CC1)C(=O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] C#CCN(CC1CC1)C(=O)c1cccc(n1)[*:1]
C#CCN(CC1CC1)C(=O)c1cccc(OCC(F)F)n1 FC(F)[*:1] C#CCN(CC1CC1)C(=O)c1cccc(n1)OC[*:1]
C#CCN(CC1CC1)C(=O)c1cccc(OCC(F)F)n1 C1CC1[*:1] C#CCN(C[*:1])C(=O)c1cccc(n1)OCC(F)F
C#CCN(CC1CC1)C(=O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] C#CCN(CC1CC1)C(=O)c1cccc(n1)O[*:1]
C#CCN(CC1CC1)C(=O)c1cccc(OCC(F)F)n1 C#CC[*:1] O=C(c1cccc(n1)OCC(F)F)N(CC1CC1)[*:1]
C#CCN(CC1CC1)C(=O)c1cccc(OCC(F)F)n1 C1CC1C[*:1] C#CCN(C(=O)c1cccc(n1)OCC(F)F)[*:1]
C[C@@H]1CCCCN1C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] C[C@@H]1CCCCN1C(=O)/C=C/c1cn(nc1[*:1])-c1ccccc1
C[C@@H]1CCCCN1C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)/C=C/c1cn(nc1-c1cccnc1)[*:1]
O=C(CSCC(F)(F)F)N[C@H](C1CCCC1)C(F)(F)F FC(F)(F)[*:1] O=C(CSCC(F)(F)F)N[C@H](C1CCCC1)[*:1]
O=C(CSCC(F)(F)F)N[C@H](C1CCCC1)C(F)(F)F FC(F)(F)C[*:1] O=C(CS[*:1])N[C@H](C1CCCC1)C(F)(F)F
O=C(CSCC(F)(F)F)N[C@H](C1CCCC1)C(F)(F)F FC(F)(F)[*:1] O=C(CSC[*:1])N[C@H](C1CCCC1)C(F)(F)F
O=C(CSCC(F)(F)F)N[C@H](C1CCCC1)C(F)(F)F C1CCC(C1)[*:1] O=C(CSCC(F)(F)F)N[C@H](C(F)(F)F)[*:1]
O=C(CSCC(F)(F)F)N[C@H](C1CCCC1)C(F)(F)F FC(F)(F)CS[*:1] O=C(C[*:1])N[C@H](C1CCCC1)C(F)(F)F
Cc1ccc(OCC(=O)NN)c(C(C)C)c1 NNC(=O)[*:1] Cc1ccc(OC[*:1])c(c1)C(C)C
Cc1ccc(OCC(=O)NN)c(C(C)C)c1 CC(C)[*:1] Cc1ccc(OCC(=O)NN)c(c1)[*:1]
Cc1ccc(OCC(=O)NN)c(C(C)C)c1 NNC(=O)C[*:1] Cc1ccc(O[*:1])c(c1)C(C)C
CC(C)c1nc(N2CCC[C@@H](C)C2)sc1C=O CC(C)[*:1] C[C@@H]1CCCN(C1)c1nc(c(C=O)s1)[*:1]
CCc1ccc(C(=O)CCC(=O)Nc2cc(C(C)C)n[nH]2)cc1 CC(C)[*:1] CCc1ccc(cc1)C(=O)CCC(=O)Nc1cc(n[nH]1)[*:1]
CCc1ccc([C@H](C)C(=O)NNc2ccc(-c3ccccc3)nn2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)[C@H](C)C(=O)NNc1ccc(nn1)[*:1]
CCc1ccc([C@H](C)C(=O)NNc2ccc(-c3ccccc3)nn2)cc1 CCc1ccc(cc1)[*:1] C[C@H](C(=O)NNc1ccc(nn1)-c1ccccc1)[*:1]
COC(=O)c1cc(F)cc(-c2ccc(C(=O)[O-])cc2C)c1 O=C([O-])[*:1] COC(=O)c1cc(F)cc(c1)-c1ccc(cc1C)[*:1]
COC(=O)c1cc(F)cc(-c2ccc(C(=O)[O-])cc2C)c1 COC(=O)[*:1] Cc1cc(ccc1-c1cc(F)cc(c1)[*:1])C(=O)[O-]
Cc1cscc1C(=O)N1CCC[C@@H]1C(N)=S NC(=S)[*:1] Cc1cscc1C(=O)N1CCC[C@H]1[*:1]
O=C(OCc1ccccc1)N1CCC[C@H]2c3ccccc3N[C@@H]2C1 c1ccc(cc1)C[*:1] O=C(O[*:1])N1CCC[C@H]2c3ccccc3N[C@@H]2C1
O=C(OCc1ccccc1)N1CCC[C@H]2c3ccccc3N[C@@H]2C1 c1ccc(cc1)[*:1] O=C(OC[*:1])N1CCC[C@H]2c3ccccc3N[C@@H]2C1
O=C(NCCN1CCOCC1)c1cc(N2CCCC2=O)ccc1Cl C1CN(CCO1)CC[*:1] O=C(N[*:1])c1cc(ccc1Cl)N1CCCC1=O
O=C(NCCN1CCOCC1)c1cc(N2CCCC2=O)ccc1Cl C1CN(CCO1)C[*:1] O=C(NC[*:1])c1cc(ccc1Cl)N1CCCC1=O
O=C(NCCN1CCOCC1)c1cc(N2CCCC2=O)ccc1Cl C1CN(CCO1)[*:1] O=C(NCC[*:1])c1cc(ccc1Cl)N1CCCC1=O
O=C(NCCN1CCOCC1)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] O=C(NCCN1CCOCC1)c1cc(ccc1Cl)[*:1]
CC(=O)NCC1(c2ccccc2)CCCC1 CC(=O)N[*:1] c1ccc(cc1)C1(CCCC1)C[*:1]
CC(=O)NCC1(c2ccccc2)CCCC1 CC(=O)NC[*:1] c1ccc(cc1)C1(CCCC1)[*:1]
COc1cc(C(=O)N(C)CCOc2ccc(C)cc2)cc(Cl)c1OC Cc1ccc(cc1)[*:1] COc1cc(cc(Cl)c1OC)C(=O)N(C)CCO[*:1]
COc1cc(C(=O)N(C)CCOc2ccc(C)cc2)cc(Cl)c1OC Cc1ccc(cc1)O[*:1] COc1cc(cc(Cl)c1OC)C(=O)N(C)CC[*:1]
COc1ccc(NC(=O)C=C(C)C)cc1S(=O)(=O)Nc1ccccc1Cl CC(C)=CC(=O)N[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccccc1Cl)[*:1]
COc1ccc(NC(=O)C=C(C)C)cc1S(=O)(=O)Nc1ccccc1Cl CC(C)=C[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccccc1Cl)NC(=O)[*:1]
COc1ccc(NC(=O)C=C(C)C)cc1S(=O)(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])NC(=O)C=C(C)C
CC(C)[C@@H](CO)NC(=O)c1ccncc1 CC(C)[*:1] O=C(N[C@H](CO)[*:1])c1ccncc1
CCc1cccc(C)c1NC(=O)[C@H](CC)n1nc(C)c2sc3ccccc3c2c1=O CCc1cccc(C)c1[*:1] CC[C@@H](C(=O)N[*:1])n1nc(C)c2sc3ccccc3c2c1=O
COc1cccc(CC(=O)Nc2ccc3c(c2)CN(Cc2ccc(Cl)cc2)C(=O)CO3)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)Nc1ccc2OCC(=O)N(Cc2c1)C[*:1]
COc1cccc(CC(=O)Nc2ccc3c(c2)CN(Cc2ccc(Cl)cc2)C(=O)CO3)c1 COc1cccc(c1)[*:1] O=C(C[*:1])Nc1ccc2OCC(=O)N(Cc3ccc(Cl)cc3)Cc2c1
COc1cccc(CC(=O)Nc2ccc3c(c2)CN(Cc2ccc(Cl)cc2)C(=O)CO3)c1 COc1cccc(c1)C[*:1] O=C1COc2ccc(cc2CN1Cc1ccc(Cl)cc1)NC(=O)[*:1]
COc1cccc(CC(=O)Nc2ccc3c(c2)CN(Cc2ccc(Cl)cc2)C(=O)CO3)c1 Clc1ccc(cc1)C[*:1] COc1cccc(c1)CC(=O)Nc1ccc2OCC(=O)N(Cc2c1)[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCC[C@@H](OCC(F)(F)F)C3)cnc21 FC(F)(F)[*:1] CCCn1c(=O)[nH]c(=O)c2cc(cnc21)C(=O)N[C@H]1CCC[C@H](C1)OC[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCC[C@@H](OCC(F)(F)F)C3)cnc21 CCC[*:1] O=C(N[C@H]1CCC[C@H](C1)OCC(F)(F)F)c1cnc2c(c1)c(=O)[nH]c(=O)n2[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCC[C@@H](OCC(F)(F)F)C3)cnc21 FC(F)(F)CO[*:1] CCCn1c(=O)[nH]c(=O)c2cc(cnc21)C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCC[C@@H](OCC(F)(F)F)C3)cnc21 FC(F)(F)C[*:1] CCCn1c(=O)[nH]c(=O)c2cc(cnc21)C(=O)N[C@H]1CCC[C@H](C1)O[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] COc1ccc(cc1NC(=O)N[C@H]1CCC[C@@H](C1)[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)N[C@H]1CCC[C@H](C1)C(F)(F)F)[*:1]
CCO[C@@H]1C[C@@H](N(C)C(=O)CSc2nnnn2C)C12CCC2 CCO[*:1] CN(C(=O)CSc1nnnn1C)[C@@H]1C[C@H](C12CCC2)[*:1]
CCO[C@@H]1C[C@@H](N(C)C(=O)CSc2nnnn2C)C12CCC2 Cn1nnnc1S[*:1] CCO[C@@H]1C[C@@H](N(C)C(=O)C[*:1])C12CCC2
CCO[C@@H]1C[C@@H](N(C)C(=O)CSc2nnnn2C)C12CCC2 Cn1nnnc1[*:1] CCO[C@@H]1C[C@@H](N(C)C(=O)CS[*:1])C12CCC2
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1)[*:1]
O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(Cl)c(Cl)c2)n1 c1ccc(cc1)[*:1] O=C([O-])COc1cc(nc(n1)NCc1ccc(Cl)c(Cl)c1)[*:1]
O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(Cl)c(Cl)c2)n1 Clc1ccc(cc1Cl)[*:1] O=C([O-])COc1cc(nc(n1)NC[*:1])-c1ccccc1
O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(Cl)c(Cl)c2)n1 O=C([O-])C[*:1] Clc1ccc(cc1Cl)CNc1nc(cc(n1)-c1ccccc1)O[*:1]
O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(Cl)c(Cl)c2)n1 O=C([O-])[*:1] Clc1ccc(cc1Cl)CNc1nc(cc(n1)-c1ccccc1)OC[*:1]
O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(Cl)c(Cl)c2)n1 Clc1ccc(cc1Cl)C[*:1] O=C([O-])COc1cc(nc(n1)N[*:1])-c1ccccc1
O=C([O-])COc1cc(-c2ccccc2)nc(NCc2ccc(Cl)c(Cl)c2)n1 O=C([O-])CO[*:1] Clc1ccc(cc1Cl)CNc1nc(cc(n1)[*:1])-c1ccccc1
CCC(CC)[C@H](CNC(C)=O)[NH+](C)C CC(=O)N[*:1] CCC(CC)[C@H](C[*:1])[NH+](C)C
Cc1ccc(Cl)cc1NC(=O)CCn1c(=O)n(C)c2ccccc21 Cc1ccc(Cl)cc1[*:1] Cn1c(=O)n(CCC(=O)N[*:1])c2ccccc21
Cc1ccc(CNC(=O)Cc2ccon2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)Cc2ccon2)c(c1)[*:1]
Cc1ccc(CNC(=O)Cc2ccon2)c(N(C)C)c1 c1cc(C[*:1])no1 Cc1ccc(CNC(=O)[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)Cc2ccon2)c(N(C)C)c1 c1cc(no1)[*:1] Cc1ccc(CNC(=O)C[*:1])c(c1)N(C)C
Cc1ncc([N+](=O)[O-])n1CCOC(=O)C1CCCCC1 C1CCC(CC1)[*:1] Cc1ncc(n1CCOC(=O)[*:1])[N+](=O)[O-]
Cc1ncc([N+](=O)[O-])n1CCOC(=O)C1CCCCC1 O=[N+]([O-])[*:1] Cc1ncc(n1CCOC(=O)C1CCCCC1)[*:1]
COc1ccc(NC(=O)CCC(=O)N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)CCC(=O)N2CCCC2)c(c1)[*:1]
COc1ccc(NC(=O)CCC(=O)N2CCCC2)c([N+](=O)[O-])c1 O=C(N1CCCC1)[*:1] COc1ccc(NC(=O)CC[*:1])c(c1)[N+](=O)[O-]
C[C@@H](NC(=O)[C@@H](C)[n+]1cccc([O-])c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](C(=O)N[C@H](C)[*:1])[n+]1cccc([O-])c1
Cc1cccc(OCC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)c1 Cc1cccc(c1)O[*:1] C[C@]1(CCCN(C1)C(=O)C[*:1])C(=O)NCc1ccc(F)cc1
Cc1cccc(OCC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)c1 Cc1cccc(c1)[*:1] C[C@]1(CCCN(C1)C(=O)CO[*:1])C(=O)NCc1ccc(F)cc1
Cc1cccc(OCC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)N1CCC[C@](C)(C1)C(=O)NC[*:1]
Cc1cccc(OCC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)c1 Fc1ccc(cc1)C[*:1] Cc1cccc(c1)OCC(=O)N1CCC[C@](C)(C1)C(=O)N[*:1]
Cc1cccc(OCC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)c1 Cc1cccc(c1)OC[*:1] C[C@]1(CCCN(C1)C(=O)[*:1])C(=O)NCc1ccc(F)cc1
Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)n(n1)[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(=O)C[C@H]1CCCCN1C(=O)CC[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 CC(=O)[*:1] O=C(CC[C@@H]1CCCO1)N1CCCC[C@@H]1C[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 CC(=O)C[*:1] O=C(CC[C@@H]1CCCO1)N1CCCC[C@@H]1[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC(=O)C[C@H]1CCCCN1C(=O)C[*:1]
CC[C@H](Nc1ncc(Cl)cc1F)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](Nc1ncc(Cl)cc1F)[*:1]
C[C@@H](NC(=O)N[C@H]1CC=CCC1)C(C)(C)C CC(C)(C)[*:1] C[C@@H](NC(=O)N[C@H]1CC=CCC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)s1 Cc1ccc(cc1C)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)s1 Cc1ccc(s1)[*:1] Cc1ccc(cc1C)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CN(C)C(=O)[C@@H]1CCCN(c2cncc(Cl)n2)C1 CN(C)C(=O)[*:1] Clc1cncc(n1)N1CCC[C@H](C1)[*:1]
C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)CC2)S1 Fc1ccc(F)c(c1)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
CCOc1ccccc1/C=C/C(=O)Oc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCOc1ccccc1/C=C/C(=O)O[*:1]
CCOc1ccccc1/C=C/C(=O)Oc1ccc(Br)cc1 CCO[*:1] O=C(/C=C/c1ccccc1[*:1])Oc1ccc(Br)cc1
O=C(COC(=O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(COC(=O)c1ccccc1Br)c1cccc(c1)[*:1]
O=C(COC(=O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 Brc1ccccc1[*:1] O=C(COC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@@H](C(=O)N1CCN(C(=O)N2CCOCC2)CC1)n1cccn1 c1cnn(c1)[*:1] CC[C@@H](C(=O)N1CCN(CC1)C(=O)N1CCOCC1)[*:1]
COc1cc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O c1csc(c1)[*:1] COc1cc(ccc1O)[C@H]1Nc2nonc2NC2C[C@@H](CC(=O)C=21)[*:1]
COc1cc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O COc1cc(ccc1O)[*:1] O=C1C[C@@H](CC2Nc3nonc3N[C@@H](C=21)[*:1])c1cccs1
Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCC3)c(=O)[nH]c2c1C C1CO[C@@H](C1)C[*:1] Cc1ccc2cc(c(=O)[nH]c2c1C)[C@@H](c1nnnn1[*:1])[NH+]1CCCC1
Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCC3)c(=O)[nH]c2c1C C1CO[C@@H](C1)[*:1] Cc1ccc2cc(c(=O)[nH]c2c1C)[C@@H](c1nnnn1C[*:1])[NH+]1CCCC1
CN(C)C(=O)CNC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 CN(C)C(=O)C[*:1] O=C(Nc1ccc(nc1)Oc1ccc(F)cc1)N[*:1]
CN(C)C(=O)CNC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)O[*:1] CN(C)C(=O)CNC(=O)Nc1ccc(nc1)[*:1]
CN(C)C(=O)CNC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)[*:1] CN(C)C(=O)CNC(=O)Nc1ccc(nc1)O[*:1]
CN(C)C(=O)CNC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 CN(C)C(=O)[*:1] O=C(NC[*:1])Nc1ccc(nc1)Oc1ccc(F)cc1
CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 c1ccc(cc1)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@H](C)[C@@H]1CN(CCO1)C[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 c1ccc(cc1)C[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@H](C)[C@@H]1CN(CCO1)[*:1]
CC(C)(C)CC(=O)NCc1cccc(F)c1 CC(C)(C)C[*:1] O=C(NCc1cccc(F)c1)[*:1]
CC(C)(C)CC(=O)NCc1cccc(F)c1 CC(C)(C)[*:1] O=C(C[*:1])NCc1cccc(F)c1
C=CCn1/c(=N/C(=O)C(C)C)sc2cccc(C)c21 C=CC[*:1] Cc1cccc2s/c(=N\C(=O)C(C)C)n(c12)[*:1]
C=CCn1/c(=N/C(=O)C(C)C)sc2cccc(C)c21 CC(C)[*:1] C=CCn1/c(=N/C(=O)[*:1])sc2cccc(C)c21
Cc1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1Cl O=C(N[*:1])c1ccccn1 Cc1ccc(cc1Cl)NC(=O)CN1CCc2nc(sc2C1)[*:1]
Cc1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(CN1CCc2nc(NC(=O)c3ccccn3)sc2C1)N[*:1]
Cc1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1Cl c1ccc(nc1)[*:1] Cc1ccc(cc1Cl)NC(=O)CN1CCc2nc(NC(=O)[*:1])sc2C1
C=COCC[NH2+]CCc1ccccn1 C=CO[*:1] c1ccc(CC[NH2+]CC[*:1])nc1
C=COCC[NH2+]CCc1ccccn1 C=COC[*:1] c1ccc(CC[NH2+]C[*:1])nc1
C[C@@H]1C[C@H]1[C@H](NC(=O)NCC1(O)CCSCC1)c1ccc(Cl)cc1 OC1(CCSCC1)C[*:1] C[C@@H]1C[C@H]1[C@H](NC(=O)N[*:1])c1ccc(Cl)cc1
C[C@@H]1C[C@H]1[C@H](NC(=O)NCC1(O)CCSCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H]1C[C@H]1[C@H](NC(=O)NCC1(O)CCSCC1)[*:1]
C[C@@H]1C[C@H]1[C@H](NC(=O)NCC1(O)CCSCC1)c1ccc(Cl)cc1 OC1(CCSCC1)[*:1] C[C@@H]1C[C@H]1[C@H](NC(=O)NC[*:1])c1ccc(Cl)cc1
O=C(c1ccc(=O)[nH]c1)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 O=c1ccc(c[nH]1)[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1C1CC1
O=C(c1ccc(=O)[nH]c1)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 C1CC1[*:1] O=C(c1ccc(=O)[nH]c1)N1CCC2(CCC(=O)N(C2)[*:1])CC1
O=C1[C@H](Nc2ncc(Br)cn2)CCCN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@@H](CCCN1[*:1])Nc1ncc(Br)cn1
O=C1[C@H](Nc2ncc(Br)cn2)CCCN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](CCCN1C[*:1])Nc1ncc(Br)cn1
O=C1[C@H](Nc2ncc(Br)cn2)CCCN1Cc1ccccc1 Brc1cnc(nc1)[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)N[*:1]
Cc1ccc([C@H](C)NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCC(CC1)C(=O)N1CCOCC1)[*:1]
Cc1ccc([C@H](C)NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)[C@H](C)NC(=O)N1CCC(CC1)[*:1]
O=C([O-])c1ccc(OCc2cc(Cl)ccc2[N+](=O)[O-])cc1 O=C([O-])[*:1] O=[N+]([O-])c1ccc(Cl)cc1COc1ccc(cc1)[*:1]
O=C([O-])c1ccc(OCc2cc(Cl)ccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C([O-])c1ccc(cc1)OCc1cc(Cl)ccc1[*:1]
C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C1=O Clc1ccc(cc1)[*:1] C=CCN1C(=O)C(=O)N(Cc2nc(no2)[*:1])C1=O
C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C1=O C=CC[*:1] O=C1C(=O)N(C(=O)N1Cc1nc(no1)-c1ccc(Cl)cc1)[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)Cn1ccc(=O)n(C)c1=O CC(C)C[*:1] Cn1c(=O)ccn(CC(=O)NC[C@](C)(O)C[*:1])c1=O
CC(C)CC[C@@](C)(O)CNC(=O)Cn1ccc(=O)n(C)c1=O CC(C)[*:1] Cn1c(=O)ccn(CC(=O)NC[C@](C)(O)CC[*:1])c1=O
CC(C)CC[C@@](C)(O)CNC(=O)Cn1ccc(=O)n(C)c1=O CC(C)CC[*:1] Cn1c(=O)ccn(CC(=O)NC[C@@](C)(O)[*:1])c1=O
O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 c1coc(c1)[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(CC1)C(=O)[*:1]
CC(C)(C)[C@H](O)CCNC(=O)CCc1ccc2c(c1)OCO2 CC(C)(C)[*:1] O=C(CCc1ccc2OCOc2c1)NCC[C@@H](O)[*:1]
O=C(c1ccccc1F)N1CCN(c2ccc(-n3cccn3)nn2)CC1 Fc1ccccc1[*:1] O=C(N1CCN(CC1)c1ccc(nn1)-n1cccn1)[*:1]
O=C(c1ccccc1F)N1CCN(c2ccc(-n3cccn3)nn2)CC1 c1cnn(c1)[*:1] O=C(c1ccccc1F)N1CCN(CC1)c1ccc(nn1)[*:1]
O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)oc1NC[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] O=S(=O)(c1nc(oc1NC[C@@H]1CCCO1)-c1ccc(Br)cc1)[*:1]
O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)oc1NC[C@@H]1CCCO1 Brc1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)cc1)c1nc(oc1NC[C@@H]1CCCO1)[*:1]
OCC(CO)(Cc1ccsc1)c1cccc(Cl)c1 c1cc(cs1)C[*:1] OCC(CO)(c1cccc(Cl)c1)[*:1]
OCC(CO)(Cc1ccsc1)c1cccc(Cl)c1 c1cc(cs1)[*:1] OCC(CO)(C[*:1])c1cccc(Cl)c1
C[C@@H](Cn1cccn1)Nc1nc2ccccc2o1 c1cnn(c1)[*:1] C[C@@H](C[*:1])Nc1nc2ccccc2o1
C[C@@H](Cn1cccn1)Nc1nc2ccccc2o1 c1cnn(c1)C[*:1] C[C@@H](Nc1nc2ccccc2o1)[*:1]
Cc1noc(C)c1CCC(=O)NCC1(C(N)=O)CCOCC1 Cc1noc(C)c1[*:1] NC(=O)C1(CCOCC1)CNC(=O)CC[*:1]
Cc1noc(C)c1CCC(=O)NCC1(C(N)=O)CCOCC1 NC(=O)[*:1] Cc1noc(C)c1CCC(=O)NCC1(CCOCC1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](CS(=O)(=O)c2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)CS(=O)(=O)c1nc2cc(ccc2[n-]1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](CS(=O)(=O)c2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)CS(=O)(=O)c1nc2cc(ccc2[n-]1)[N+](=O)[O-]
C[C@H](Cc1ccsc1)NC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O O=C(NC1CCCCCC1)[*:1] C[C@H](Cc1ccsc1)NC(=O)c1cn(cc(c1=O)[*:1])C1CC1
C[C@H](Cc1ccsc1)NC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O c1cc(cs1)[*:1] C[C@H](C[*:1])NC(=O)c1cn(cc(C(=O)NC2CCCCCC2)c1=O)C1CC1
C[C@H](Cc1ccsc1)NC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O C1CC1[*:1] C[C@H](Cc1ccsc1)NC(=O)c1cn(cc(C(=O)NC2CCCCCC2)c1=O)[*:1]
C[C@H](Cc1ccsc1)NC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O C1CCCC(CC1)[*:1] C[C@H](Cc1ccsc1)NC(=O)c1cn(cc(C(=O)N[*:1])c1=O)C1CC1
C[C@H](Cc1ccsc1)NC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O c1cc(cs1)C[*:1] C[C@H](NC(=O)c1cn(cc(C(=O)NC2CCCCCC2)c1=O)C1CC1)[*:1]
C=C(C)[C@H](CSc1cccc(Cl)c1)[NH2+]CC C=C(C)[*:1] CC[NH2+][C@@H](CSc1cccc(Cl)c1)[*:1]
O=C(COCc1ccccc1Cl)N[C@@H]1CCSc2ccc(F)cc21 Clc1ccccc1C[*:1] O=C(CO[*:1])N[C@@H]1CCSc2ccc(F)cc21
O=C(COCc1ccccc1Cl)N[C@@H]1CCSc2ccc(F)cc21 Clc1ccccc1[*:1] O=C(COC[*:1])N[C@@H]1CCSc2ccc(F)cc21
Cc1cc(CNc2ccc(C(=O)NCC[C@@H]3COc4ccccc4O3)cn2)no1 Cc1cc(CN[*:1])no1 O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(nc1)[*:1]
Cc1cc(CNc2ccc(C(=O)NCC[C@@H]3COc4ccccc4O3)cn2)no1 Cc1cc(no1)[*:1] O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(nc1)NC[*:1]
Cc1cc(CNc2ccc(C(=O)NCC[C@@H]3COc4ccccc4O3)cn2)no1 Cc1cc(C[*:1])no1 O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(nc1)N[*:1]
Cc1c([C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cnn1C Cc1c(cnn1C)[*:1] C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)[*:1]
O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(cc1)S[*:1]
O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(cc1)[*:1]
C#CCN(CC(=O)[O-])C(=O)CCOc1ccc(C)cc1 C#CC[*:1] Cc1ccc(cc1)OCCC(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)CCOc1ccc(C)cc1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)CCOc1ccc(C)cc1
C#CCN(CC(=O)[O-])C(=O)CCOc1ccc(C)cc1 O=C([O-])C[*:1] C#CCN(C(=O)CCOc1ccc(C)cc1)[*:1]
O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sccn12 c1ccc(cc1)C[*:1] O=c1cc(CSc2nnc(-c3cccs3)n2[*:1])nc2sccn12
O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sccn12 c1csc(c1)[*:1] O=c1cc(CSc2nnc(n2Cc2ccccc2)[*:1])nc2sccn12
O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sccn12 c1ccc(cc1)[*:1] O=c1cc(CSc2nnc(-c3cccs3)n2C[*:1])nc2sccn12
CC[C@H]1CN(C(=O)c2ccc(-n3nc(C)nc3C)cc2)c2ccccc2O1 Cc1nc(C)n(n1)[*:1] CC[C@H]1CN(C(=O)c2ccc(cc2)[*:1])c2ccccc2O1
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ncc(Cl)c(Cl)c1Cl CN(C)S(=O)(=O)[*:1] COc1ccc(cc1NC(=O)c1ncc(Cl)c(Cl)c1Cl)[*:1]
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1 CC(C)NS(=O)(=O)C[*:1] O=C(NCc1ccccc1[*:1])c1ccccc1
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1 CC(C)[*:1] O=C(NCc1ccccc1CS(=O)(=O)N[*:1])c1ccccc1
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[*:1]
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1 CC(C)NS(=O)(=O)[*:1] O=C(NCc1ccccc1C[*:1])c1ccccc1
C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NCCOc1cccnc1 c1cncc(c1)O[*:1] C[C@H]1[C@@H](OCCN1C(=O)NCC[*:1])c1ccc(Br)cc1
C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NCCOc1cccnc1 Brc1ccc(cc1)[*:1] C[C@H]1[C@H](OCCN1C(=O)NCCOc1cccnc1)[*:1]
C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NCCOc1cccnc1 c1cncc(c1)[*:1] C[C@H]1[C@@H](OCCN1C(=O)NCCO[*:1])c1ccc(Br)cc1
C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NCCOc1cccnc1 c1cncc(c1)OC[*:1] C[C@H]1[C@@H](OCCN1C(=O)NC[*:1])c1ccc(Br)cc1
COc1cc(Cl)c(C)cc1NC(=O)[C@H](NC(=O)c1cccs1)C(C)C O=C(N[*:1])c1cccs1 COc1cc(Cl)c(C)cc1NC(=O)[C@H](C(C)C)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)[C@H](NC(=O)c1cccs1)C(C)C CC(C)[*:1] COc1cc(Cl)c(C)cc1NC(=O)[C@H](NC(=O)c1cccs1)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)[C@H](NC(=O)c1cccs1)C(C)C c1csc(c1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)[C@H](NC(=O)[*:1])C(C)C
Cc1ccc([C@H](NC(=O)CC/N=C(\O)c2ncccc2O)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CC/N=C(\O)c1ncccc1O)N[C@H](C1CC1)[*:1]
Cc1ccc([C@H](NC(=O)CC/N=C(\O)c2ncccc2O)C2CC2)cc1 Oc1cccnc1[*:1] Cc1ccc(cc1)[C@H](NC(=O)CC/N=C(\O)[*:1])C1CC1
Cc1ccc([C@H](NC(=O)CC/N=C(\O)c2ncccc2O)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](NC(=O)CC/N=C(\O)c1ncccc1O)[*:1]
COc1ccccc1O[C@@H](C)CNC(=O)CC(C)C CC(C)[*:1] COc1ccccc1O[C@@H](C)CNC(=O)C[*:1]
COc1ccccc1O[C@@H](C)CNC(=O)CC(C)C CC(C)C[*:1] COc1ccccc1O[C@@H](C)CNC(=O)[*:1]
O=C(NCc1ccccn1)c1ccc(F)cc1-n1cnnn1 c1ccc(C[*:1])nc1 O=C(N[*:1])c1ccc(F)cc1-n1cnnn1
O=C(NCc1ccccn1)c1ccc(F)cc1-n1cnnn1 c1ccc(nc1)[*:1] O=C(NC[*:1])c1ccc(F)cc1-n1cnnn1
O=C(NCc1ccccn1)c1ccc(F)cc1-n1cnnn1 c1nnnn1[*:1] O=C(NCc1ccccn1)c1ccc(F)cc1[*:1]
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCC(=O)N[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCC(=O)N[*:1]
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCC(=O)N[C@H]1CCS(=O)(=O)C1 Fc1ccc(cc1F)[*:1] C[C@@H](O[*:1])C(=O)NCC(=O)N[C@H]1CCS(=O)(=O)C1
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1 CC(=O)N[*:1] COc1ccc(cc1)C[C@@H](C(=O)NC1CCN(CC1)c1c2CCCc2nc2ncnn12)[*:1]
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)NC1CCN(CC1)c1c2CCCc2nc2ncnn12
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1 COc1ccc(cc1)C[*:1] CC(=O)N[C@@H](C(=O)NC1CCN(CC1)c1c2CCCc2nc2ncnn12)[*:1]
Cc1nc(N2CCOCC2)nc(N2CCOCC2)c1Br C1CN(CCO1)[*:1] Cc1nc(nc(c1Br)[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)nc(N2CCOCC2)c1Br C1CN(CCO1)[*:1] Cc1nc(nc(c1Br)N1CCOCC1)[*:1]
CCn1ccnc1C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] CCn1ccnc1C[NH2+]Cc1csc(n1)-c1ccc(cc1)[*:1]
CCn1ccnc1C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 CCn1ccnc1[*:1] FC(F)(F)c1ccc(cc1)-c1nc(cs1)C[NH2+]C[*:1]
O=C(NCCNc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl)c1cccnc1 O=C(N[*:1])c1cccnc1 O=c1c(Cl)c(Cl)cnn1-c1ccc(NCC[*:1])c(Cl)c1
O=C(NCCNc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl)c1cccnc1 c1cncc(c1)[*:1] O=C(NCCNc1ccc(cc1Cl)-n1ncc(Cl)c(Cl)c1=O)[*:1]
O=C(NCCNc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl)c1cccnc1 O=c1c(Cl)c(Cl)cnn1[*:1] O=C(NCCNc1ccc(cc1Cl)[*:1])c1cccnc1
C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1 O=C(N1CCc2ccccc21)[*:1] C[C@@H](Oc1ccccc1)c1nnc(SC[*:1])n1-c1ccccc1
C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1[*:1]
C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](c1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1)[*:1]
C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])c1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1
O=C(COc1ccccc1-c1ccccc1)O[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(COc1ccccc1[*:1])O[C@@H]1CCS(=O)(=O)C1
Cc1nc(NCCN(C)C(=O)OC(C)(C)C)c2cc[nH]c2n1 CC(C)(C)[*:1] Cc1nc(NCCN(C)C(=O)O[*:1])c2cc[nH]c2n1
O=C(Nc1ccccc1)c1nnc(CNC(=O)C2CC2)s1 C1CC1[*:1] O=C(Nc1ccccc1)c1nnc(CNC(=O)[*:1])s1
O=C(Nc1ccccc1)c1nnc(CNC(=O)C2CC2)s1 O=C(NC[*:1])C1CC1 O=C(Nc1ccccc1)c1nnc(s1)[*:1]
O=C(Nc1ccccc1)c1nnc(CNC(=O)C2CC2)s1 O=C(N[*:1])C1CC1 O=C(Nc1ccccc1)c1nnc(C[*:1])s1
O=C(Nc1ccccc1)c1nnc(CNC(=O)C2CC2)s1 c1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(CNC(=O)C2CC2)s1
O=C(Nc1ccc(-n2cccn2)nc1)c1cc2ccccc2oc1=O c1cnn(c1)[*:1] O=C(Nc1ccc(nc1)[*:1])c1cc2ccccc2oc1=O
O=C1CCCC[C@H]1c1nc(-c2ncc[nH]2)no1 c1c[nH]c(n1)[*:1] O=C1CCCC[C@H]1c1nc(no1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)NCc2cccnc2Oc2cccc(F)c2)C1 Fc1cccc(c1)O[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)NCc1cccnc1[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)NCc2cccnc2Oc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)NCc1cccnc1O[*:1]
Cc1cc(C)nc(SCc2c(C(=O)Nc3ccc(C(N)=O)cc3)nnn2-c2ccc(F)cc2)n1 NC(=O)[*:1] Cc1cc(C)nc(n1)SCc1c(nnn1-c1ccc(F)cc1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C)nc(SCc2c(C(=O)Nc3ccc(C(N)=O)cc3)nnn2-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(C)nc(n1)SCc1c(nnn1[*:1])C(=O)Nc1ccc(cc1)C(N)=O
Cc1cc(C)nc(SCc2c(C(=O)Nc3ccc(C(N)=O)cc3)nnn2-c2ccc(F)cc2)n1 Cc1cc(C)nc(n1)S[*:1] NC(=O)c1ccc(cc1)NC(=O)c1nnn(-c2ccc(F)cc2)c1C[*:1]
Cc1cc(C)nc(SCc2c(C(=O)Nc3ccc(C(N)=O)cc3)nnn2-c2ccc(F)cc2)n1 Cc1cc(C)nc(n1)SC[*:1] NC(=O)c1ccc(cc1)NC(=O)c1nnn(-c2ccc(F)cc2)c1[*:1]
Cc1cc(C)nc(SCc2c(C(=O)Nc3ccc(C(N)=O)cc3)nnn2-c2ccc(F)cc2)n1 NC(=O)c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)SCc1c(nnn1-c1ccc(F)cc1)C(=O)N[*:1]
Cc1cc(C)nc(SCc2c(C(=O)Nc3ccc(C(N)=O)cc3)nnn2-c2ccc(F)cc2)n1 Cc1cc(C)nc(n1)[*:1] NC(=O)c1ccc(cc1)NC(=O)c1nnn(-c2ccc(F)cc2)c1CS[*:1]
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CNc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(CNc1ccccc1)N1N=C(C[C@H]1[*:1])c1ccccc1
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CNc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)CNc1ccccc1)[*:1]
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CNc2ccccc2)cc1 c1ccc(cc1)N[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)C[*:1])c1ccccc1
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CNc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)CN[*:1])c1ccccc1
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CNc2ccccc2)cc1 c1ccc(cc1)NC[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)[*:1])c1ccccc1
Cc1ccncc1NC(=O)N(C)[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] Cc1ccncc1NC(=O)N(C)[C@@H](C)[*:1]
O=C([O-])[C@H]1CC[C@@H](CNc2ncccn2)O1 O=C([O-])[*:1] c1cnc(nc1)NC[C@@H]1CC[C@@H](O1)[*:1]
C#CCNC(=O)c1cnn(-c2ccc(F)cc2)c1CC C#CCNC(=O)[*:1] CCc1c(cnn1-c1ccc(F)cc1)[*:1]
C#CCNC(=O)c1cnn(-c2ccc(F)cc2)c1CC C#CC[*:1] CCc1c(cnn1-c1ccc(F)cc1)C(=O)N[*:1]
C[C@H]1CN(C(=O)c2cn3c(n2)CC[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3)C[C@H](C)O1 FC(F)(F)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1cn2C[C@H](CCc2n1)c1cc(cc(c1)[*:1])C(F)(F)F
C#Cc1cc(F)c(NC(=O)[C@@H](C)n2cccc2)c(F)c1 c1ccn(c1)[*:1] C#Cc1cc(F)c(NC(=O)[C@@H](C)[*:1])c(F)c1
O=C1O[C@@](Nc2ccccn2)(c2ccccc2)c2ccccc21 c1ccc(nc1)[*:1] O=C1O[C@@](N[*:1])(c2ccccc2)c2ccccc21
O=C1O[C@@](Nc2ccccn2)(c2ccccc2)c2ccccc21 c1ccc(nc1)N[*:1] O=C1O[C@@](c2ccccc2)(c2ccccc21)[*:1]
O=C1O[C@@](Nc2ccccn2)(c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] O=C1O[C@@](Nc2ccccn2)(c2ccccc21)[*:1]
Cc1cccc2c(=O)n(CCCC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)cnc12 c1ccc(cc1)[*:1] Cc1cccc2c(=O)n(cnc12)CCCC(=O)N1CCc2sccc2[C@H]1[*:1]
COc1ccc([C@@H](C)NS(=O)(=O)c2cc(C)ccc2F)cc1OC Cc1ccc(F)c(c1)[*:1] COc1ccc(cc1OC)[C@@H](C)NS(=O)(=O)[*:1]
CC(C)C[C@@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CC(C)C[*:1] O=C(NC1CC1)c1cccc(c1)NC(=O)[C@@H](N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[*:1]
CC(C)C[C@@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O O=C(NC1CC1)[*:1] CC(C)C[C@@H](C(=O)Nc1cccc(c1)[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
CC(C)C[C@@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CC(C)[*:1] O=C(NC1CC1)c1cccc(c1)NC(=O)[C@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
CC(C)C[C@@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O C1CC1[*:1] CC(C)C[C@@H](C(=O)Nc1cccc(c1)C(=O)N[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
C[C@]1(c2ccc(F)cc2F)NC(=O)N(Cc2ccc(F)c(F)c2)C1=O Fc1ccc(c(F)c1)[*:1] C[C@@]1(NC(=O)N(Cc2ccc(F)c(F)c2)C1=O)[*:1]
C[C@]1(c2ccc(F)cc2F)NC(=O)N(Cc2ccc(F)c(F)c2)C1=O Fc1ccc(cc1F)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1F
C=CCN1C(=O)N[C@@H](c2csc(Br)c2)C(C(=O)OCC)=C1C Brc1cc(cs1)[*:1] C=CCN1C(=O)N[C@@H](C(C(=O)OCC)=C1C)[*:1]
C=CCN1C(=O)N[C@@H](c2csc(Br)c2)C(C(=O)OCC)=C1C CCOC(=O)[*:1] C=CCN1C(=O)N[C@H](C(=C1C)[*:1])c1csc(Br)c1
C=CCN1C(=O)N[C@@H](c2csc(Br)c2)C(C(=O)OCC)=C1C C=CC[*:1] CCOC(=O)C1=C(C)N(C(=O)N[C@H]1c1csc(Br)c1)[*:1]
CC(C)[C@H]([NH2+]Cc1cccc(Br)c1)c1ccc2c(c1)OCCO2 Brc1cccc(c1)[*:1] CC(C)[C@H]([NH2+]C[*:1])c1ccc2OCCOc2c1
CC(C)[C@H]([NH2+]Cc1cccc(Br)c1)c1ccc2c(c1)OCCO2 CC(C)[*:1] Brc1cccc(c1)C[NH2+][C@H](c1ccc2OCCOc2c1)[*:1]
CN(CCS(C)(=O)=O)C(=O)Nc1ccccc1F CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)Nc1ccccc1F
CN(CCS(C)(=O)=O)C(=O)Nc1ccccc1F CS(=O)(=O)CC[*:1] CN(C(=O)Nc1ccccc1F)[*:1]
CN(CCS(C)(=O)=O)C(=O)Nc1ccccc1F CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)Nc1ccccc1F
CN1C(=O)c2ccccc2N[C@@H]1c1cnc(C2CCC2)s1 C1CC(C1)[*:1] CN1C(=O)c2ccccc2N[C@@H]1c1cnc(s1)[*:1]
Cc1occc1-c1nnc(SCC(=O)Nc2cccc(Oc3ccccc3)c2)n1C c1ccc(cc1)[*:1] Cc1occc1-c1nnc(SCC(=O)Nc2cccc(c2)O[*:1])n1C
Cc1occc1-c1nnc(SCC(=O)Nc2cccc(Oc3ccccc3)c2)n1C c1ccc(cc1)O[*:1] Cc1occc1-c1nnc(SCC(=O)Nc2cccc(c2)[*:1])n1C
Cc1occc1-c1nnc(SCC(=O)Nc2cccc(Oc3ccccc3)c2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1cccc(c1)Oc1ccccc1
COc1cccc(C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 O=C(N1CCCCC1)[*:1] COc1cccc(c1)C(=O)N1C[C@H](Oc2ccccc21)[*:1]
COc1cccc(C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 COc1cccc(c1)[*:1] O=C([C@H]1CN(C(=O)[*:1])c2ccccc2O1)N1CCCCC1
NC(=O)[C@@H]1CCN(C(=O)/C=C/c2cccc(Cl)c2)C1 NC(=O)[*:1] O=C(/C=C/c1cccc(Cl)c1)N1CC[C@H](C1)[*:1]
FC(F)(F)c1ccn(Cc2ccccc2)n1 FC(F)(F)[*:1] c1ccc(cc1)Cn1ccc(n1)[*:1]
O=C1CC[NH+](Cc2cccn2-c2ccccn2)CCN1CCOc1ccccc1 c1ccc(cc1)[*:1] O=C1CC[NH+](CCN1CCO[*:1])Cc1cccn1-c1ccccn1
O=C1CC[NH+](Cc2cccn2-c2ccccn2)CCN1CCOc1ccccc1 c1ccc(cc1)OC[*:1] O=C1CC[NH+](CCN1C[*:1])Cc1cccn1-c1ccccn1
O=C1CC[NH+](Cc2cccn2-c2ccccn2)CCN1CCOc1ccccc1 c1ccc(cc1)O[*:1] O=C1CC[NH+](CCN1CC[*:1])Cc1cccn1-c1ccccn1
O=C1CC[NH+](Cc2cccn2-c2ccccn2)CCN1CCOc1ccccc1 c1ccc(nc1)[*:1] O=C1CC[NH+](CCN1CCOc1ccccc1)Cc1cccn1[*:1]
O=C1CC[NH+](Cc2cccn2-c2ccccn2)CCN1CCOc1ccccc1 c1ccc(cc1)OCC[*:1] O=C1CC[NH+](CCN1[*:1])Cc1cccn1-c1ccccn1
C[C@H](CC(=O)N1C[C@@H](C)OCC1(C)C)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N1C[C@@H](C)OCC1(C)C)NC(=O)[*:1]
CCCCc1ccc(Nc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c2N)cc1 CCCCc1ccc(cc1)[*:1] Nc1c(ncnc1N1CCN(CC1)c1cccc[nH+]1)N[*:1]
CCCCc1ccc(Nc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c2N)cc1 CCC[*:1] Nc1c(ncnc1N1CCN(CC1)c1cccc[nH+]1)Nc1ccc(cc1)C[*:1]
CCCCc1ccc(Nc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c2N)cc1 CCCC[*:1] Nc1c(ncnc1N1CCN(CC1)c1cccc[nH+]1)Nc1ccc(cc1)[*:1]
CCOC(=O)c1cc(Cl)cc2n[nH]nc12 CCOC(=O)[*:1] Clc1cc(c2n[nH]nc2c1)[*:1]
CC(C)(C)[C@@H]1C(=O)N[C@@H](c2ccccc2)c2ccccc21 CC(C)(C)[*:1] O=C1N[C@@H](c2ccccc2)c2ccccc2[C@@H]1[*:1]
CC(C)(C)[C@@H]1C(=O)N[C@@H](c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CC(C)(C)[C@@H]1C(=O)N[C@@H](c2ccccc21)[*:1]
CC(C)c1nc2cc(NC(=O)CN(C)S(=O)(=O)c3cccnc3)ccc2o1 c1cncc(c1)[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)CN(C)S(=O)(=O)[*:1]
CC(C)c1nc2cc(NC(=O)CN(C)S(=O)(=O)c3cccnc3)ccc2o1 CC(C)[*:1] CN(CC(=O)Nc1ccc2oc(nc2c1)[*:1])S(=O)(=O)c1cccnc1
Cc1cc(CC(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)no1 Cc1cc(C[*:1])no1 O=C(Nc1ccc(cc1)-c1cn2CCCCc2[nH+]1)[*:1]
Cc1cc(CC(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)no1 Cc1cc(no1)[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1cn2CCCCc2[nH+]1
O=C1CN(C(=O)c2ccc(C3SCCS3)cc2)CCN1 C1CSC(S1)[*:1] O=C1CN(CCN1)C(=O)c1ccc(cc1)[*:1]
C=CCCC(=O)N(CC)[C@H](c1cccnc1)c1ccc2c(c1)CCO2 c1cncc(c1)[*:1] C=CCCC(=O)N(CC)[C@H](c1ccc2OCCc2c1)[*:1]
C=CCCC(=O)N(CC)[C@H](c1cccnc1)c1ccc2c(c1)CCO2 C=CC[*:1] CCN(C(=O)C[*:1])[C@H](c1cccnc1)c1ccc2OCCc2c1
C=CCCC(=O)N(CC)[C@H](c1cccnc1)c1ccc2c(c1)CCO2 C=CCC[*:1] CCN(C(=O)[*:1])[C@H](c1cccnc1)c1ccc2OCCc2c1
CC(C)c1ccc(NC(=O)CCCC(=O)[O-])cc1 O=C([O-])CCC[*:1] CC(C)c1ccc(cc1)NC(=O)[*:1]
CC(C)c1ccc(NC(=O)CCCC(=O)[O-])cc1 O=C([O-])CC[*:1] CC(C)c1ccc(cc1)NC(=O)C[*:1]
CC(C)c1ccc(NC(=O)CCCC(=O)[O-])cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)NC(=O)CCC[*:1]
CC(C)c1ccc(NC(=O)CCCC(=O)[O-])cc1 CC(C)[*:1] O=C([O-])CCCC(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)CCCC(=O)[O-])cc1 O=C([O-])C[*:1] CC(C)c1ccc(cc1)NC(=O)CC[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)c1n[nH]c(=O)c2ccccc12 CCC[*:1] C[C@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)[C@H]1[*:1]
C[C@@H]([C@@H](C)N(C)C(=O)c1ccc(-c2cscn2)cc1)S(C)(=O)=O c1nc(cs1)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)c1ccc(cc1)[*:1])S(C)(=O)=O
C[C@@H]([C@@H](C)N(C)C(=O)c1ccc(-c2cscn2)cc1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)c1ccc(cc1)-c1cscn1)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H](C)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H](C)Cc1cccs1 CC(C)[*:1] C[C@@H](Cc1cccs1)NC(=O)N(C[C@H]1C[C@@H]1C)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H](C)Cc1cccs1 C[C@H]1C[C@@H]1C[*:1] CC(C)N(C(=O)N[C@@H](C)Cc1cccs1)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H](C)Cc1cccs1 C[C@H]1C[C@@H]1[*:1] CC(C)N(C[*:1])C(=O)N[C@@H](C)Cc1cccs1
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H](C)C[*:1]
CC[C@@H]1CN(CCSc2ccccc2)[C@H](C2CC2)C[NH2+]1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CCS[*:1])[C@@H](C[NH2+]1)C1CC1
CC[C@@H]1CN(CCSc2ccccc2)[C@H](C2CC2)C[NH2+]1 C1CC1[*:1] CC[C@@H]1CN(CCSc2ccccc2)[C@H](C[NH2+]1)[*:1]
CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)on1 CC(C)[*:1] N#Cc1c(NC(=O)c2cc(no2)[*:1])sc2CCCCc21
C[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(=O)NC[*:1]
C[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(=O)N[*:1]
C[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)C[C@@H](O)[*:1])C(=O)NCc1ccccc1
NC(=O)COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)nc([O-])c32)cc1 c1ccc(cc1)[*:1] NC(=O)COc1ccc(cc1)[C@H]1CC(=O)Nc2nc(nc([O-])c21)SC[*:1]
NC(=O)COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)nc([O-])c32)cc1 NC(=O)CO[*:1] O=C1C[C@H](c2ccc(cc2)[*:1])c2c([O-])nc(nc2N1)SCc1ccccc1
NC(=O)COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)nc([O-])c32)cc1 c1ccc(cc1)C[*:1] NC(=O)COc1ccc(cc1)[C@H]1CC(=O)Nc2nc(nc([O-])c21)S[*:1]
NC(=O)COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)nc([O-])c32)cc1 c1ccc(cc1)CS[*:1] NC(=O)COc1ccc(cc1)[C@H]1CC(=O)Nc2nc(nc([O-])c21)[*:1]
NC(=O)COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)nc([O-])c32)cc1 NC(=O)C[*:1] O=C1C[C@H](c2ccc(cc2)O[*:1])c2c([O-])nc(nc2N1)SCc1ccccc1
NC(=O)COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)nc([O-])c32)cc1 NC(=O)[*:1] O=C1C[C@H](c2ccc(cc2)OC[*:1])c2c([O-])nc(nc2N1)SCc1ccccc1
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(C)C)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)CNC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(C)C)C2=O)cc1 CC(C)CNC(=O)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(C[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(C)C)C2=O)cc1 CC(C)C[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(C)C)C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)NC[*:1])C1=O
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1 COc1ccccc1[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)N[*:1])=C(C)Nc2nnnn21
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1 COc1ccc(cc1)[*:1] COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1[*:1]
CC1(C)CN(C[C@@H](CS)c2ccccc2)CCO1 c1ccc(cc1)[*:1] CC1(C)CN(CCO1)C[C@@H](CS)[*:1]
CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 CCCC[*:1] O=S(=O)(c1ccc(cc1)O[*:1])N1CCN(CC1)c1ccccc1
CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 CCCCO[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccccc1
CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 CCC[*:1] O=S(=O)(c1ccc(cc1)OC[*:1])N1CCN(CC1)c1ccccc1
CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CCCCOc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
O=C(NCCCNC(=O)c1ccnc2ncccc12)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCCNC(=O)[*:1])c1ccnc2ncccc12
Cc1ccn2c(C[NH+](C)Cc3cc(C)on3)cnc2c1 Cc1cc(no1)[*:1] Cc1ccn2c(cnc2c1)C[NH+](C)C[*:1]
COc1ccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccccc4C)c3C2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1-n1nc(C)c2c3C(=O)N(C(=O)c3cnc21)[*:1]
COc1ccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccccc4C)c3C2=O)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)N1C(=O)c2cnc3c(c(C)nn3[*:1])c2C1=O
O=C([O-])c1cnn(Cc2ccccc2)c1-n1cccc1 O=C([O-])[*:1] c1ccc(cc1)Cn1ncc(c1-n1cccc1)[*:1]
O=C([O-])c1cnn(Cc2ccccc2)c1-n1cccc1 c1ccc(cc1)[*:1] O=C([O-])c1cnn(C[*:1])c1-n1cccc1
O=C([O-])c1cnn(Cc2ccccc2)c1-n1cccc1 c1ccn(c1)[*:1] O=C([O-])c1cnn(Cc2ccccc2)c1[*:1]
CN(C)C(=O)c1ccc(N(C)C)c(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(c(c1)NC(=O)[*:1])N(C)C
CN(C)C(=O)c1ccc(N(C)C)c(NC(=O)c2ccccc2)c1 CN(C)[*:1] CN(C)C(=O)c1ccc(c(c1)NC(=O)c1ccccc1)[*:1]
CN(C)C(=O)c1ccc(N(C)C)c(NC(=O)c2ccccc2)c1 CN(C)C(=O)[*:1] CN(C)c1ccc(cc1NC(=O)c1ccccc1)[*:1]
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)C1(CC1)[*:1]
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](c1ccc(cc1)S(C)(=O)=O)N(C)C(=O)Cc1ccc(cc1)[*:1]
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1 CS(=O)(=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)Cc1ccc(cc1)-c1ccccc1
CCCNC(=O)C[S@@](=O)Cc1nc(-c2cccc(Cl)c2)oc1C CCCNC(=O)[*:1] Cc1oc(nc1C[S@](=O)C[*:1])-c1cccc(Cl)c1
CCCNC(=O)C[S@@](=O)Cc1nc(-c2cccc(Cl)c2)oc1C CCC[*:1] Cc1oc(nc1C[S@](=O)CC(=O)N[*:1])-c1cccc(Cl)c1
CCCNC(=O)C[S@@](=O)Cc1nc(-c2cccc(Cl)c2)oc1C CCCNC(=O)C[*:1] Cc1oc(nc1C[S@](=O)[*:1])-c1cccc(Cl)c1
CCCNC(=O)C[S@@](=O)Cc1nc(-c2cccc(Cl)c2)oc1C Clc1cccc(c1)[*:1] CCCNC(=O)C[S@@](=O)Cc1nc(oc1C)[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+](C)Cc1nnc(C)n1C Fc1ccc(c(F)c1)[*:1] Cc1nn(c(C)c1C[NH+](C)Cc1nnc(C)n1C)[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+](C)Cc1nnc(C)n1C Cc1nnc(n1C)[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+](C)C[*:1]
CC(C)(C)c1ccc(S(=O)(=O)CC(=O)Nc2ccc(Br)cc2)cc1 CC(C)(C)[*:1] O=C(CS(=O)(=O)c1ccc(cc1)[*:1])Nc1ccc(Br)cc1
CC(C)(C)c1ccc(S(=O)(=O)CC(=O)Nc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)CC(=O)N[*:1]
COC(=O)CCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O COC(=O)[*:1] O=C1[C@H]2Cc3ccccc3CN2C(=O)N1CCC[*:1]
COC(=O)CCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O COC(=O)CC[*:1] O=C1[C@H]2Cc3ccccc3CN2C(=O)N1C[*:1]
COC(=O)CCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O COC(=O)C[*:1] O=C1[C@H]2Cc3ccccc3CN2C(=O)N1CC[*:1]
COC(=O)CCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O COC(=O)CCC[*:1] O=C1[C@H]2Cc3ccccc3CN2C(=O)N1[*:1]
CC[C@H](C)[C@H](NC(=O)CCOC)C(=O)[O-] CC[C@H](C)[*:1] COCCC(=O)N[C@H](C(=O)[O-])[*:1]
CC[C@H](C)[C@H](NC(=O)CCOC)C(=O)[O-] COC[*:1] CC[C@H](C)[C@H](NC(=O)C[*:1])C(=O)[O-]
CC[C@H](C)[C@H](NC(=O)CCOC)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@H](NC(=O)CCOC)[*:1]
CC[C@H](C)[C@H](NC(=O)CCOC)C(=O)[O-] COCC[*:1] CC[C@H](C)[C@H](NC(=O)[*:1])C(=O)[O-]
CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 COc1ccc(cc1)[*:1] CCCc1nnc2S[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@@H](Nn12)[*:1]
CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 Cc1ccc(cc1Cl)[*:1] CCCc1nnc2S[C@@H](C(=O)N[*:1])[C@H](Nn12)c1ccc(cc1)OC
CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 CCC[*:1] COc1ccc(cc1)[C@H]1Nn2c(nnc2[*:1])S[C@H]1C(=O)Nc1ccc(C)c(Cl)c1
CCc1ccsc1CNC(=O)Cc1c(C)nn(CC(C)C)c1C CC(C)C[*:1] CCc1ccsc1CNC(=O)Cc1c(C)nn(c1C)[*:1]
CCc1ccsc1CNC(=O)Cc1c(C)nn(CC(C)C)c1C CC(C)[*:1] CCc1ccsc1CNC(=O)Cc1c(C)nn(C[*:1])c1C
CCc1ccsc1CNC(=O)Cc1c(C)nn(CC(C)C)c1C CCc1ccsc1[*:1] Cc1nn(CC(C)C)c(C)c1CC(=O)NC[*:1]
FC(F)(F)CN1CCCN(Cc2ncn(-c3ccccc3)n2)CC1 FC(F)(F)[*:1] c1ccc(cc1)-n1cnc(CN2CCCN(CC2)C[*:1])n1
FC(F)(F)CN1CCCN(Cc2ncn(-c3ccccc3)n2)CC1 FC(F)(F)C[*:1] c1ccc(cc1)-n1cnc(CN2CCCN(CC2)[*:1])n1
FC(F)(F)CN1CCCN(Cc2ncn(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] FC(F)(F)CN1CCCN(CC1)Cc1ncn(n1)[*:1]
Cc1cccc(NC(=O)[C@@H](SC2=NCCS2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)[C@@H](SC1=NCCS1)[*:1]
Cc1cc(NC(=O)c2ccc(C[NH+]3CCNC(=O)C3)cc2)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C1C[NH+](CCN1)Cc1ccc(cc1)C(=O)N[*:1]
CNC(=O)C1CC[NH+](CC(=O)Nc2cc(C)c(Cl)cc2OC)CC1 CNC(=O)[*:1] COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(CC1)[*:1]
Cc1cc(CN(C)C(=O)N[C@@H](C)Cc2ccc3ccccc3c2)no1 Cc1cc(no1)[*:1] C[C@@H](Cc1ccc2ccccc2c1)NC(=O)N(C)C[*:1]
Cc1cc(CN(C)C(=O)N[C@@H](C)Cc2ccc3ccccc3c2)no1 Cc1cc(C[*:1])no1 C[C@@H](Cc1ccc2ccccc2c1)NC(=O)N(C)[*:1]
Cn1ccc(NC(=O)C(=O)N2CCc3ccccc3C2)n1 Cn1ccc(n1)[*:1] O=C(N[*:1])C(=O)N1CCc2ccccc2C1
O=C(NCCc1nc2ccccc2n1C/C=C/c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(NCCc1nc2ccccc2n1C/C=C/c1ccccc1)[*:1]
O=C(NCCc1nc2ccccc2n1C/C=C/c1ccccc1)c1ccccn1 O=C(N[*:1])c1ccccn1 C(=C/c1ccccc1)\Cn1c(CC[*:1])nc2ccccc21
O=C(NCCc1nc2ccccc2n1C/C=C/c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(NCCc1nc2ccccc2n1CC=C[*:1])c1ccccn1
O=C(NCCc1nc2ccccc2n1C/C=C/c1ccccc1)c1ccccn1 C(=C/c1ccccc1)\C[*:1] O=C(NCCc1nc2ccccc2n1[*:1])c1ccccn1
O=C(NCCc1nc2ccccc2n1C/C=C/c1ccccc1)c1ccccn1 C(=C[*:1])c1ccccc1 O=C(NCCc1nc2ccccc2n1C[*:1])c1ccccn1
CON(C)Cn1nnn(C(C)(C)C)c1=S CON(C)[*:1] CC(C)(C)n1nnn(C[*:1])c1=S
CON(C)Cn1nnn(C(C)(C)C)c1=S CC(C)(C)[*:1] CON(C)Cn1nnn(c1=S)[*:1]
CON(C)Cn1nnn(C(C)(C)C)c1=S CON(C)C[*:1] CC(C)(C)n1nnn(c1=S)[*:1]
CCC([NH3+])(CC)CN1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CCC([NH3+])(CC)CN1CCC[C@H](C1)[*:1]
C/C=C(/C)C(=O)N(Cc1cccc(C)c1)C1CC1 CC=C(C)[*:1] Cc1cccc(c1)CN(C(=O)[*:1])C1CC1
C/C=C(/C)C(=O)N(Cc1cccc(C)c1)C1CC1 C1CC1[*:1] C/C=C(/C)C(=O)N(Cc1cccc(C)c1)[*:1]
O=C1N/C(=N\N=C\c2ccccc2OCc2ccccc2)S[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1N/C(=N\N=C\c2ccccc2OC[*:1])S[C@H]1Cc1ccccc1
O=C1N/C(=N\N=C\c2ccccc2OCc2ccccc2)S[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1N/C(=N\N=C\c2ccccc2O[*:1])S[C@H]1Cc1ccccc1
O=C1N/C(=N\N=C\c2ccccc2OCc2ccccc2)S[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1N/C(=N\N=C\c2ccccc2OCc2ccccc2)S[C@@H]1[*:1]
O=C1N/C(=N\N=C\c2ccccc2OCc2ccccc2)S[C@H]1Cc1ccccc1 c1ccc(cc1)CO[*:1] O=C1N/C(=N\N=C\c2ccccc2[*:1])S[C@H]1Cc1ccccc1
O=C1N/C(=N\N=C\c2ccccc2OCc2ccccc2)S[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1N/C(=N\N=C\c2ccccc2OCc2ccccc2)S[C@H]1C[*:1]
CCN(CCNC(=O)N(C)C(C)C)C(=O)OC(C)(C)C CC(C)(C)[*:1] CCN(CCNC(=O)N(C)C(C)C)C(=O)O[*:1]
CCN(CCNC(=O)N(C)C(C)C)C(=O)OC(C)(C)C CC(C)[*:1] CCN(CCNC(=O)N(C)[*:1])C(=O)OC(C)(C)C
CCC(O)(CC)CNC(=O)NCc1sc(C)nc1C CCC(O)(CC)[*:1] Cc1nc(C)c(CNC(=O)NC[*:1])s1
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)[nH]n2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] C/C(=N\NC(=O)c1cc(n[nH]1)[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)[nH]n2)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(-c2cc([nH]n2)C(=O)N/N=C(\C)c2ccc(cc2)[*:1])c(c1)OC
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)[nH]n2)c(OC)c1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(-c2cc([nH]n2)C(=O)NN=C(C)[*:1])c(c1)OC
CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CCCCl)c1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)NC(=O)CCCCl
CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CCCCl)c1 c1ccc(cc1)C[*:1] CN(C(=O)c1cccc(c1)NC(=O)CCCCl)[*:1]
CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CCCCl)c1 ClCCC[*:1] CN(Cc1ccccc1)C(=O)c1cccc(c1)NC(=O)[*:1]
CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CCCCl)c1 O=C(CCCCl)N[*:1] CN(Cc1ccccc1)C(=O)c1cccc(c1)[*:1]
CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CCCCl)c1 ClCC[*:1] CN(Cc1ccccc1)C(=O)c1cccc(c1)NC(=O)C[*:1]
CN(C)c1ncc(CN2CCC[C@H]2COc2ccccc2)s1 CN(C)[*:1] c1ccc(cc1)OC[C@@H]1CCCN1Cc1cnc(s1)[*:1]
CN(C)c1ncc(CN2CCC[C@H]2COc2ccccc2)s1 c1ccc(cc1)O[*:1] CN(C)c1ncc(CN2CCC[C@H]2C[*:1])s1
CN(C)c1ncc(CN2CCC[C@H]2COc2ccccc2)s1 c1ccc(cc1)[*:1] CN(C)c1ncc(CN2CCC[C@H]2CO[*:1])s1
CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 CCCC[*:1] O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCCCS(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 CCC[*:1] O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)c1ccccc1C CCC(C)(C)[*:1] Cc1ccccc1S(=O)(=O)[C@@H](C)C(=O)N[*:1]
O=S(=O)(CC1CCC1)NCc1nc(C(F)(F)F)cs1 C1CC(C1)C[*:1] O=S(=O)(NCc1nc(cs1)C(F)(F)F)[*:1]
O=S(=O)(CC1CCC1)NCc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] O=S(=O)(CC1CCC1)NCc1nc(cs1)[*:1]
O=S(=O)(CC1CCC1)NCc1nc(C(F)(F)F)cs1 C1CC(C1)[*:1] O=S(=O)(C[*:1])NCc1nc(cs1)C(F)(F)F
COc1ccc(-c2nc(NC(=O)CCN3C(=O)[C@H](C)Oc4ccccc43)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21
O=C(Nc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccc(cc1)[*:1]
O=C(Nc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 c1csc(c1)[*:1] O=C(Nc1ccc(cc1)C(=O)Nc1ccccc1[N-]S(=O)(=O)[*:1])c1ccccc1
C[C@@H](c1ccccc1F)[NH+]1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 Fc1ccccc1[*:1] C[C@@H]([NH+]1CCN(CC1)[C@@H]1CCN(C1=O)c1cnn(C)c1)[*:1]
C[C@@H](c1ccccc1F)[NH+]1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 C[C@@H](c1ccccc1F)[*:1] Cn1cc(cn1)N1CC[C@H](C1=O)N1CC[NH+](CC1)[*:1]
C[C@@H](c1ccccc1F)[NH+]1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 Cn1cc(cn1)[*:1] C[C@@H](c1ccccc1F)[NH+]1CCN(CC1)[C@@H]1CCN(C1=O)[*:1]
COc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2N)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nnc(SCC=C[*:1])n1N
COc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2N)cc1OC C(=C[*:1])c1ccccc1 COc1ccc(cc1OC)-c1nnc(SC[*:1])n1N
O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Br)ccc1F C1CC1[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N[*:1])c1cc(Br)ccc1F
O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Br)ccc1F Fc1ccc(Br)cc1[*:1] O=C(Nc1cccc(c1)S(=O)(=O)NC1CC1)[*:1]
O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Br)ccc1F O=S(=O)(NC1CC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(Br)ccc1F
Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(C)c3cc2c1C Clc1ccc(cc1)C[*:1] Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@H](C(=O)[O-])[*:1])c(C)c3cc2c1C
Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(C)c3cc2c1C Clc1ccc(cc1)[*:1] Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@H](C[*:1])C(=O)[O-])c(C)c3cc2c1C
Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(C)c3cc2c1C O=C([O-])[*:1] Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@H](Cc4ccc(Cl)cc4)[*:1])c(C)c3cc2c1C
C[NH2+][C@H](c1cccc(C)c1)[C@H]1CCOC2(CCSCC2)C1 Cc1cccc(c1)[*:1] C[NH2+][C@H]([C@H]1CCOC2(CCSCC2)C1)[*:1]
COc1ccccc1[C@H](CNC(=O)Cc1c[nH]c2ccccc12)[NH+]1CCCC1 COc1ccccc1[*:1] O=C(Cc1c[nH]c2ccccc12)NC[C@H]([NH+]1CCCC1)[*:1]
COc1ccccc1[C@H](CNC(=O)Cc1c[nH]c2ccccc12)[NH+]1CCCC1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccccc1[C@H](CNC(=O)C[*:1])[NH+]1CCCC1
CC[C@@H](C)N(CC)C(=O)c1cc(Cl)ccc1O CC[C@@H](C)[*:1] CCN(C(=O)c1cc(Cl)ccc1O)[*:1]
Cc1cc([C@H]2OCCC[C@@H]2C[NH2+]C(C)C)ccc1F CC(C)[*:1] Cc1cc(ccc1F)[C@H]1OCCC[C@@H]1C[NH2+][*:1]
Cc1ccc(S(=O)(=O)N2CCn3c(nc4ccccc43)C2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CCn2c(C1)nc1ccccc12)[*:1]
CCN(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)[*:1]
CC(=O)Nc1ccc(C2=NN=C(NCc3ccc(F)cc3)SC2)cc1 CC(=O)N[*:1] Fc1ccc(cc1)CNC1=NN=C(CS1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C2=NN=C(NCc3ccc(F)cc3)SC2)cc1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C1CSC(=NN=1)NC[*:1]
CC(=O)Nc1ccc(C2=NN=C(NCc3ccc(F)cc3)SC2)cc1 Fc1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)C1CSC(=NN=1)N[*:1]
CCc1ncc(C[NH+](C)CC(=O)Nc2ccc(S(C)(=O)=O)cc2)s1 CCc1ncc(s1)[*:1] C[NH+](CC(=O)Nc1ccc(cc1)S(C)(=O)=O)C[*:1]
CCc1ncc(C[NH+](C)CC(=O)Nc2ccc(S(C)(=O)=O)cc2)s1 CS(=O)(=O)[*:1] CCc1ncc(C[NH+](C)CC(=O)Nc2ccc(cc2)[*:1])s1
CCOC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCOC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCOC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 CCOC(=O)N[*:1] O=C(Cc1ccccc1)Nc1ccc(cc1)[*:1]
CCOC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CCOC(=O)Nc1ccc(cc1)NC(=O)C[*:1]
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(F)c(F)c2)n2nnnc2N1 CC(C)(C)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)O[*:1])c1ccc(F)c(F)c1
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(F)c(F)c2)n2nnnc2N1 CC(C)(C)OC(=O)[*:1] CC1Nc2nnnn2[C@H](C=1[*:1])c1ccc(F)c(F)c1
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(F)c(F)c2)n2nnnc2N1 Fc1ccc(cc1F)[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)OC(C)(C)C)[*:1]
CCCNc1ncnc(N[C@H](C)c2ccccc2)c1N CCC[*:1] C[C@@H](Nc1ncnc(N[*:1])c1N)c1ccccc1
CCCNc1ncnc(N[C@H](C)c2ccccc2)c1N CCCN[*:1] C[C@@H](Nc1ncnc(c1N)[*:1])c1ccccc1
CCCNc1ncnc(N[C@H](C)c2ccccc2)c1N c1ccc(cc1)[*:1] CCCNc1ncnc(N[C@H](C)[*:1])c1N
CCCn1ncnc1CNn1c(C)ccc1C CCC[*:1] Cc1ccc(C)n1NCc1ncnn1[*:1]
Cc1nn(C)c(C(=O)N2CCn3nc(CCC(=O)NC(C)C)cc3C2)c1Cl Cc1nn(C)c(c1Cl)[*:1] CC(C)NC(=O)CCc1cc2CN(CCn2n1)C(=O)[*:1]
Cc1nn(C)c(C(=O)N2CCn3nc(CCC(=O)NC(C)C)cc3C2)c1Cl CC(C)[*:1] Cc1nn(C)c(C(=O)N2CCn3nc(cc3C2)CCC(=O)N[*:1])c1Cl
Cc1nn(C)c(C(=O)N2CCn3nc(CCC(=O)NC(C)C)cc3C2)c1Cl CC(C)NC(=O)[*:1] Cc1nn(C)c(C(=O)N2CCn3nc(cc3C2)CC[*:1])c1Cl
Cc1nn(C)c(C(=O)N2CCn3nc(CCC(=O)NC(C)C)cc3C2)c1Cl CC(C)NC(=O)CC[*:1] Cc1nn(C)c(C(=O)N2CCn3nc(cc3C2)[*:1])c1Cl
Cc1nn(C)c(C(=O)N2CCn3nc(CCC(=O)NC(C)C)cc3C2)c1Cl CC(C)NC(=O)C[*:1] Cc1nn(C)c(C(=O)N2CCn3nc(cc3C2)C[*:1])c1Cl
O=C(Cc1cccc(O)c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Cc1cccc(O)c1)N1CCO[C@H](C1)[*:1]
O=C(Cc1cccc(O)c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 Oc1cccc(c1)[*:1] O=C(C[*:1])N1CCO[C@@H](C1)c1ccc(Cl)cc1
CC[C@H](C)NC(=O)C(=O)NC[C@H]1CCCO1 CC[C@H](C)[*:1] O=C(NC[C@H]1CCCO1)C(=O)N[*:1]
CC[C@H](C)NC(=O)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@H](C)NC(=O)C(=O)NC[*:1]
CCn1c([C@@H](C)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(nc2ccccc21)[C@@H](C)N[C@@H](c1n[nH]c(C)n1)[*:1]
CCn1c([C@@H](C)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)nc2ccccc21 Cc1nc(n[nH]1)[*:1] CCn1c(nc2ccccc21)[C@@H](C)N[C@@H](c1ccccc1)[*:1]
O=C(NCCC1CCCC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 C1CCC(C1)C[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)[C@@H]1CCS(=O)(=O)C1
O=C(NCCC1CCCC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(NCCC1CCCC1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCC1CCCC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 C1CCC(C1)[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(C1)[C@@H]1CCS(=O)(=O)C1
O=C(NCCC1CCCC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 C1CCC(C1)CC[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)[C@@H]1CCS(=O)(=O)C1
CC(C)Oc1cccc(CN2CCOC[C@H]2C2CC2)c1 CC(C)O[*:1] c1cc(cc(c1)[*:1])CN1CCOC[C@H]1C1CC1
CC(C)Oc1cccc(CN2CCOC[C@H]2C2CC2)c1 C1CC1[*:1] CC(C)Oc1cccc(c1)CN1CCOC[C@@H]1[*:1]
CC(C)Oc1cccc(CN2CCOC[C@H]2C2CC2)c1 CC(C)[*:1] c1cc(cc(c1)O[*:1])CN1CCOC[C@H]1C1CC1
CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)CC2=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(Nc1nc2ccc(cc2s1)[N+](=O)[O-])[C@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)CC2=O)cc1 CC(=O)N[*:1] O=C(Nc1nc2ccc(cc2s1)[N+](=O)[O-])[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)CC2=O)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nc2ccc(cc2s1)[*:1]
O=C(Nc1ccccc1C(=O)[O-])c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O O=C([O-])c1ccccc1[*:1] O=C(N[*:1])c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
O=C(Nc1ccccc1C(=O)[O-])c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O O=C([O-])[*:1] O=C(Nc1ccccc1[*:1])c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
O=C(Nc1ccccc1C(=O)[O-])c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)[O-])c1ccc2C(=O)N(C[*:1])C(=O)c2c1
O=C(Nc1ccccc1C(=O)[O-])c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O c1ccc(cc1)C[*:1] O=C(Nc1ccccc1C(=O)[O-])c1ccc2C(=O)N(C(=O)c2c1)[*:1]
C[C@H](CNC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)[C@@H]1CCN(C1=O)c1ccc(F)c(F)c1)[*:1]
C[C@H](CNC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] O=C(NC[*:1])[C@@H]1CCN(C1=O)c1ccc(F)c(F)c1
C[C@H](CNC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCOCC1 Fc1ccc(cc1F)[*:1] C[C@H](CNC(=O)[C@@H]1CCN(C1=O)[*:1])N1CCOCC1
Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1F Cc1ccc(cc1F)[*:1] C[C@H]([NH2+][C@H](C)C(=O)N[*:1])c1ccc2OCOc2c1
COc1ccc(-c2noc(CNc3cc(C)ccc3C)n2)c(OC)c1 Cc1ccc(C)c(c1)[*:1] COc1ccc(-c2noc(CN[*:1])n2)c(c1)OC
CCCn1c(=O)n(CCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c2ccccc21 CCC[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)N1CCN(CC1)C(=O)CCn1c(=O)n(c2ccccc21)[*:1]
CC(C)[NH+](Cc1ccccc1)Cc1noc(C2CC2)n1 C1CC1[*:1] CC(C)[NH+](Cc1ccccc1)Cc1noc(n1)[*:1]
CC(C)[NH+](Cc1ccccc1)Cc1noc(C2CC2)n1 c1ccc(cc1)[*:1] CC(C)[NH+](Cc1noc(n1)C1CC1)C[*:1]
CC(C)[NH+](Cc1ccccc1)Cc1noc(C2CC2)n1 CC(C)[*:1] c1ccc(cc1)C[NH+](Cc1noc(n1)C1CC1)[*:1]
CC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1C[NH+]2CCN1CC2 FC(F)(F)C[*:1] CC[NH2+][C@@H](C[*:1])[C@@H]1C[NH+]2CCN1CC2
CC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1C[NH+]2CCN1CC2 FC(F)(F)[*:1] CC[NH2+][C@@H](CC[*:1])[C@@H]1C[NH+]2CCN1CC2
CC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1C[NH+]2CCN1CC2 FC(F)(F)CC[*:1] CC[NH2+][C@@H]([C@@H]1C[NH+]2CCN1CC2)[*:1]
CS(=O)(=O)NCCn1ncc2c(N3CCCCC3)ncnc21 CS(=O)(=O)NCC[*:1] c1nc(c2cnn(c2n1)[*:1])N1CCCCC1
CS(=O)(=O)NCCn1ncc2c(N3CCCCC3)ncnc21 CS(=O)(=O)NC[*:1] c1nc(c2cnn(C[*:1])c2n1)N1CCCCC1
CS(=O)(=O)NCCn1ncc2c(N3CCCCC3)ncnc21 C1CCN(CC1)[*:1] CS(=O)(=O)NCCn1ncc2c(ncnc21)[*:1]
CS(=O)(=O)NCCn1ncc2c(N3CCCCC3)ncnc21 CS(=O)(=O)N[*:1] c1nc(c2cnn(CC[*:1])c2n1)N1CCCCC1
CC(C)/C=C1/CCCC/C1=N/NC(N)=O CC(C)[*:1] NC(=O)N/N=C1/CCCCC1=C[*:1]
CC[C@H](C)N(Cc1ccsc1)C(=O)c1ccnn1CC c1cc(cs1)C[*:1] CC[C@H](C)N(C(=O)c1ccnn1CC)[*:1]
CC[C@H](C)N(Cc1ccsc1)C(=O)c1ccnn1CC c1cc(cs1)[*:1] CC[C@H](C)N(C[*:1])C(=O)c1ccnn1CC
CC[C@H](C)N(Cc1ccsc1)C(=O)c1ccnn1CC CC[C@H](C)[*:1] CCn1nccc1C(=O)N(Cc1ccsc1)[*:1]
CC1(C)CCN(C(=O)[C@H](c2ccccc2)N2CCSCC2)C1 c1ccc(cc1)[*:1] CC1(C)CCN(C1)C(=O)[C@H](N1CCSCC1)[*:1]
CC1(C)CCN(C(=O)[C@H](c2ccccc2)N2CCSCC2)C1 C1CN(CCS1)[*:1] CC1(C)CCN(C1)C(=O)[C@H](c1ccccc1)[*:1]
COc1ccccc1[C@@H](NC(=O)N(C)Cc1cccnc1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)N(C)Cc1cccnc1)[*:1]
COc1ccccc1[C@@H](NC(=O)N(C)Cc1cccnc1)c1ccccn1 COc1ccccc1[*:1] CN(Cc1cccnc1)C(=O)N[C@@H](c1ccccn1)[*:1]
COc1ccccc1[C@@H](NC(=O)N(C)Cc1cccnc1)c1ccccn1 c1cncc(c1)[*:1] COc1ccccc1[C@@H](NC(=O)N(C)C[*:1])c1ccccn1
COc1ccccc1[C@@H](NC(=O)N(C)Cc1cccnc1)c1ccccn1 c1cncc(c1)C[*:1] COc1ccccc1[C@@H](NC(=O)N(C)[*:1])c1ccccn1
C[C@H](C1CC1)N(C(=O)c1cc([N-]S(C)(=O)=O)ccc1O)C1CC1 C[C@H](C1CC1)[*:1] CS(=O)(=O)[N-]c1ccc(O)c(c1)C(=O)N(C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)c1cc([N-]S(C)(=O)=O)ccc1O)C1CC1 C1CC1[*:1] C[C@H](C1CC1)N(C(=O)c1cc(ccc1O)[N-]S(C)(=O)=O)[*:1]
C[C@H](C1CC1)N(C(=O)c1cc([N-]S(C)(=O)=O)ccc1O)C1CC1 C1CC1[*:1] C[C@H](N(C(=O)c1cc(ccc1O)[N-]S(C)(=O)=O)C1CC1)[*:1]
C=CCOc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 C=CCO[*:1] O=C([O-])c1cc(c[nH]1)S(=O)(=O)[N-]c1cccc(c1)[*:1]
C=CCOc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 C=CC[*:1] O=C([O-])c1cc(c[nH]1)S(=O)(=O)[N-]c1cccc(c1)O[*:1]
C=CCOc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 O=C([O-])[*:1] C=CCOc1cccc(c1)[N-]S(=O)(=O)c1c[nH]c(c1)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 c1ccc2c(cccc2c1)[*:1] CCOC(=O)/C=C/c1ccc(cc1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(C=C[*:1])cc1)[C@H]1CCCN(C1)C(=O)c1cccc2ccccc12
CCOC(=O)/C=C/c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 CCOC(=O)C=C[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN(C1)C(=O)c1cccc2ccccc12
NC(=O)c1cccc(CCNC(=O)Cc2cnn(-c3ccccc3)c2)c1 c1ccc(cc1)[*:1] NC(=O)c1cccc(c1)CCNC(=O)Cc1cnn(c1)[*:1]
NC(=O)c1cccc(CCNC(=O)Cc2cnn(-c3ccccc3)c2)c1 NC(=O)[*:1] O=C(Cc1cnn(c1)-c1ccccc1)NCCc1cccc(c1)[*:1]
CCC(=O)Nc1nc2ccc([C@H](C)CC)cc2s1 CCC(=O)N[*:1] CC[C@@H](C)c1ccc2nc(sc2c1)[*:1]
CCC(=O)Nc1nc2ccc([C@H](C)CC)cc2s1 CC[C@@H](C)[*:1] CCC(=O)Nc1nc2ccc(cc2s1)[*:1]
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1[*:1]
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1ccccc1 Cc1ccc(cc1)NC(=O)[*:1] COc1ccc(C=C(C#N)[*:1])cc1OCc1ccccc1
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1O[*:1]
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1ccccc1 Cc1ccc(cc1)[*:1] COc1ccc(/C=C(\C#N)C(=O)N[*:1])cc1OCc1ccccc1
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC[*:1]
Cc1cncc(C(=O)Nc2c(/C(N)=N/O)cnn2C)c1 N/C(=N\O)[*:1] Cc1cncc(c1)C(=O)Nc1c(cnn1C)[*:1]
COc1ccc2c(C)cc3nnc(SCC(=O)NC4CCCCC4)n3c2c1 O=C(NC1CCCCC1)[*:1] COc1ccc2c(C)cc3nnc(SC[*:1])n3c2c1
COc1ccc2c(C)cc3nnc(SCC(=O)NC4CCCCC4)n3c2c1 C1CCC(CC1)[*:1] COc1ccc2c(C)cc3nnc(SCC(=O)N[*:1])n3c2c1
CC[NH2+][C@@H](CCC(F)(F)F)[C@H]1CCOC2(CCC2)C1 FC(F)(F)[*:1] CC[NH2+][C@@H](CC[*:1])[C@H]1CCOC2(CCC2)C1
CC[NH2+][C@@H](CCC(F)(F)F)[C@H]1CCOC2(CCC2)C1 FC(F)(F)C[*:1] CC[NH2+][C@@H](C[*:1])[C@H]1CCOC2(CCC2)C1
CC[NH2+][C@@H](CCC(F)(F)F)[C@H]1CCOC2(CCC2)C1 FC(F)(F)CC[*:1] CC[NH2+][C@@H]([C@H]1CCOC2(CCC2)C1)[*:1]
CCC[NH2+][C@@H](C(C)(C)C)C(C)(C)N1CCOCC1 CC(C)(C)[*:1] CCC[NH2+][C@@H](C(C)(C)N1CCOCC1)[*:1]
CCC[NH2+][C@@H](C(C)(C)C)C(C)(C)N1CCOCC1 CCC[*:1] CC(C)(C)[C@H]([NH2+][*:1])C(C)(C)N1CCOCC1
CCC[NH2+][C@@H](C(C)(C)C)C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] CCC[NH2+][C@@H](C(C)(C)C)C(C)(C)[*:1]
Cc1cc(C(C)(C)C)cc(S(=O)(=O)Oc2ccccc2N)c1C Nc1ccccc1[*:1] Cc1cc(cc(c1C)S(=O)(=O)O[*:1])C(C)(C)C
Cc1cc(C(C)(C)C)cc(S(=O)(=O)Oc2ccccc2N)c1C CC(C)(C)[*:1] Cc1cc(cc(c1C)S(=O)(=O)Oc1ccccc1N)[*:1]
Cc1c(C(=O)NCc2cccnc2-n2cccn2)oc2ccccc12 c1cnn(c1)[*:1] Cc1c(oc2ccccc12)C(=O)NCc1cccnc1[*:1]
Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cccc(C)c1C c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1cccc(C)c1C)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cccc(C)c1C Cc1cccc(c1C)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])C(=O)Nc1ccccc1
Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cccc(C)c1C O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1cccc(C)c1C)[*:1]
CCCN(CC(=O)OC)C(=O)c1cc(Cl)cc(Cl)c1 COC(=O)[*:1] CCCN(C[*:1])C(=O)c1cc(Cl)cc(Cl)c1
CCCN(CC(=O)OC)C(=O)c1cc(Cl)cc(Cl)c1 COC(=O)C[*:1] CCCN(C(=O)c1cc(Cl)cc(Cl)c1)[*:1]
CCCN(CC(=O)OC)C(=O)c1cc(Cl)cc(Cl)c1 CCC[*:1] COC(=O)CN(C(=O)c1cc(Cl)cc(Cl)c1)[*:1]
Cn1nccc1C[NH2+][C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 Cn1nccc1[*:1] CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+]C[*:1]
Cn1nccc1C[NH2+][C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 Cn1nccc1C[*:1] CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+][*:1]
Cn1nccc1C[NH2+][C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cn1nccc1C[NH2+][C@@H]1CC[C@H](C1)NC(=O)O[*:1]
O=[N+]([O-])c1cnn(CCN(CC2CC2)c2ccccc2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cnn(c1)CCN(CC1CC1)[*:1]
O=[N+]([O-])c1cnn(CCN(CC2CC2)c2ccccc2)c1 O=[N+]([O-])[*:1] c1ccc(cc1)N(CCn1cc(cn1)[*:1])CC1CC1
O=[N+]([O-])c1cnn(CCN(CC2CC2)c2ccccc2)c1 C1CC1C[*:1] O=[N+]([O-])c1cnn(c1)CCN(c1ccccc1)[*:1]
O=[N+]([O-])c1cnn(CCN(CC2CC2)c2ccccc2)c1 C1CC1[*:1] O=[N+]([O-])c1cnn(c1)CCN(C[*:1])c1ccccc1
CC(=O)Nc1ccc(C(=O)/N=c2/sccn2C)cc1 CC(=O)N[*:1] Cn1ccs/c1=N/C(=O)c1ccc(cc1)[*:1]
O=C(CSCc1nc2cccnc2n1C1CCCCC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSCc1nc2cccnc2n1C1CCCCC1)N[*:1]
O=C(CSCc1nc2cccnc2n1C1CCCCC1)Nc1ccc(F)cc1 C1CCC(CC1)[*:1] O=C(CSCc1nc2cccnc2n1[*:1])Nc1ccc(F)cc1
CC(C)COc1ccc(C(C)(C)CNC(=O)c2n[nH]c(=O)[nH]2)cc1 CC(C)C[*:1] CC(C)(CNC(=O)c1n[nH]c(=O)[nH]1)c1ccc(cc1)O[*:1]
CC(C)COc1ccc(C(C)(C)CNC(=O)c2n[nH]c(=O)[nH]2)cc1 CC(C)CO[*:1] CC(C)(CNC(=O)c1n[nH]c(=O)[nH]1)c1ccc(cc1)[*:1]
CC(C)COc1ccc(C(C)(C)CNC(=O)c2n[nH]c(=O)[nH]2)cc1 O=c1[nH]nc([nH]1)[*:1] CC(C)COc1ccc(cc1)C(C)(C)CNC(=O)[*:1]
CC(C)COc1ccc(C(C)(C)CNC(=O)c2n[nH]c(=O)[nH]2)cc1 CC(C)[*:1] CC(C)(CNC(=O)c1n[nH]c(=O)[nH]1)c1ccc(cc1)OC[*:1]
COC[C@@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] COC[C@@H](C)NC(=O)C(=O)Nc1cc(ccc1F)[*:1]
COC[C@@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F COC[C@@H](C)[*:1] O=C(Nc1cc(ccc1F)C(F)(F)F)C(=O)N[*:1]
COC[C@@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F COC[*:1] C[C@@H](NC(=O)C(=O)Nc1cc(ccc1F)C(F)(F)F)[*:1]
CC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)[nH]n1 O=S(=O)(NC1CC1)[*:1] CC(C)(C)c1cc(NC(=O)c2ccc(cc2)[*:1])[nH]n1
CC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)[nH]n1 C1CC1[*:1] CC(C)(C)c1cc(NC(=O)c2ccc(cc2)S(=O)(=O)N[*:1])[nH]n1
CC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)[nH]n1 CC(C)(C)[*:1] O=C(Nc1cc(n[nH]1)[*:1])c1ccc(cc1)S(=O)(=O)NC1CC1
CC(C)Oc1cccc(C(=O)Oc2ccc3nccnc3c2)n1 CC(C)[*:1] O=C(Oc1ccc2nccnc2c1)c1cccc(n1)O[*:1]
CC(C)Oc1cccc(C(=O)Oc2ccc3nccnc3c2)n1 CC(C)O[*:1] O=C(Oc1ccc2nccnc2c1)c1cccc(n1)[*:1]
C[C@H]1CN(C(=O)[C@@H](C)n2cccn2)c2ccccc2S1 c1cnn(c1)[*:1] C[C@H]1CN(C(=O)[C@@H](C)[*:1])c2ccccc2S1
COC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O COC(=O)[*:1] O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1C[*:1]
COC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O COC(=O)C[*:1] O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1[*:1]
Cc1cc(NC(=O)NCCc2ccc(OC(C)C)cc2)no1 Cc1cc(no1)[*:1] CC(C)Oc1ccc(cc1)CCNC(=O)N[*:1]
Cc1cc(NC(=O)NCCc2ccc(OC(C)C)cc2)no1 CC(C)[*:1] Cc1cc(no1)NC(=O)NCCc1ccc(cc1)O[*:1]
Cc1cc(NC(=O)NCCc2ccc(OC(C)C)cc2)no1 CC(C)O[*:1] Cc1cc(no1)NC(=O)NCCc1ccc(cc1)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 CC(C)C[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 CC(C)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)Nc1ccc(cc1)NC(=O)C[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 CC(C)CC(=O)N[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(/C=C(\C#N)C(=O)N[*:1])cc1
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1 CC(=O)N[*:1] N#C/C(=C\c1ccc(cc1)[*:1])C(=O)Nc1ccccc1
O=C1c2ccccc2N[C@H](c2cccnc2)N1c1ccccc1F c1cncc(c1)[*:1] O=C1c2ccccc2N[C@H](N1c1ccccc1F)[*:1]
O=C1c2ccccc2N[C@H](c2cccnc2)N1c1ccccc1F Fc1ccccc1[*:1] O=C1c2ccccc2N[C@H](c2cccnc2)N1[*:1]
Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(NC(=O)NC3CC3)cc1)CO2 C1CC1[*:1] Cc1ccc2OC[C@@H]([NH2+][C@H](C)c3ccc(cc3)NC(=O)N[*:1])c2c1
Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(NC(=O)NC3CC3)cc1)CO2 O=C(NC1CC1)N[*:1] Cc1ccc2OC[C@@H]([NH2+][C@H](C)c3ccc(cc3)[*:1])c2c1
C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(cc1)O[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])sc1Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])sc1C[*:1]
Cc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])sc1Cc1ccccc1Cl Clc1ccccc1C[*:1] Cc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])sc1[*:1]
Cc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])sc1Cc1ccccc1Cl O=[N+]([O-])c1ccccc1[*:1] Cc1nc(NC(=O)C[*:1])sc1Cc1ccccc1Cl
Cc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])sc1Cc1ccccc1Cl O=[N+]([O-])[*:1] Cc1nc(NC(=O)Cc2ccccc2[*:1])sc1Cc1ccccc1Cl
COc1ccc(-c2nnc(-c3ccccc3N)o2)cc1OC Nc1ccccc1[*:1] COc1ccc(cc1OC)-c1nnc(o1)[*:1]
CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc(ccc21)[*:1]
CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc([N+](=O)[O-])ccc21 CS(=O)(=O)[*:1] CCn1/c(=N/C(=O)c2ccccc2[*:1])sc2cc(ccc21)[N+](=O)[O-]
O=C(CS(=O)(=O)c1ccc(Br)s1)Nc1nccs1 Brc1ccc(s1)[*:1] O=C(CS(=O)(=O)[*:1])Nc1nccs1
O=C(CS(=O)(=O)c1ccc(Br)s1)Nc1nccs1 c1csc(n1)[*:1] O=C(CS(=O)(=O)c1ccc(Br)s1)N[*:1]
Cn1cc[nH+]c1-c1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1 CC(C)(C)[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)COc1ccccc1[*:1]
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1[*:1]
COCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C COC[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(ccc2-c2ccco2)C(=O)N1CC[*:1]
COCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C COCC[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(ccc2-c2ccco2)C(=O)N1C[*:1]
COCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C c1coc(c1)[*:1] COCCCN1C(=O)c2ccc(n2C[C@@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C)[*:1]
COCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C COCCC[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(ccc2-c2ccco2)C(=O)N1[*:1]
COC(=O)c1cc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cc(cc(c1)[*:1])C(=O)Nc1cccc(c1)Cn1ccnc1
COC(=O)c1cc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc([N+](=O)[O-])c1 c1cn(cn1)[*:1] COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1cccc(c1)C[*:1]
COC(=O)c1cc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc([N+](=O)[O-])c1 c1cn(cn1)C[*:1] COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1cc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc([N+](=O)[O-])c1 COC(=O)[*:1] O=C(Nc1cccc(c1)Cn1ccnc1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
COCCNC(=O)[C@@H](C)Sc1nnnn1C(C)(C)C COCC[*:1] C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)N[*:1]
COCCNC(=O)[C@@H](C)Sc1nnnn1C(C)(C)C COC[*:1] C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)NC[*:1]
COCCNC(=O)[C@@H](C)Sc1nnnn1C(C)(C)C CC(C)(C)[*:1] COCCNC(=O)[C@@H](C)Sc1nnnn1[*:1]
CC(=O)N[C@@H](C(=O)Nc1nc(-c2cccc(F)c2)cs1)C(C)C Fc1cccc(c1)[*:1] CC(=O)N[C@@H](C(=O)Nc1nc(cs1)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)Nc1nc(-c2cccc(F)c2)cs1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)Nc1nc(cs1)-c1cccc(F)c1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1nc(-c2cccc(F)c2)cs1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)Nc1nc(cs1)-c1cccc(F)c1)[*:1]
COC[C@H](O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 COC[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[C@@H](O)[*:1]
COC[C@H](O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 COC[C@H](O)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[*:1]
COC[C@H](O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] COC[C@H](O)[C@H]1CCC[C@H](C1)[*:1]
CCC[NH+](CC(=O)NC)Cc1nnnn1-c1ccccc1 CCC[*:1] CNC(=O)C[NH+](Cc1nnnn1-c1ccccc1)[*:1]
CCC[NH+](CC(=O)NC)Cc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] CCC[NH+](CC(=O)NC)Cc1nnnn1[*:1]
CCC[NH+](CC(=O)NC)Cc1nnnn1-c1ccccc1 CNC(=O)C[*:1] CCC[NH+](Cc1nnnn1-c1ccccc1)[*:1]
CCC[NH+](CC(=O)NC)Cc1nnnn1-c1ccccc1 CNC(=O)[*:1] CCC[NH+](Cc1nnnn1-c1ccccc1)C[*:1]
CC[C@@H](CO)NC(=O)N[C@H](C)c1cc2cccc(OC)c2o1 CC[C@@H](CO)[*:1] COc1cccc2cc(oc12)[C@@H](C)NC(=O)N[*:1]
CNC(=O)c1cc(NC(=O)N[C@@H]2CCc3ccccc32)ccc1F CNC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])N[C@@H]1CCc2ccccc21
CSC[C@@H](C)N(C)C(=O)c1ccncc1Cl CSC[*:1] C[C@@H](N(C)C(=O)c1ccncc1Cl)[*:1]
CSC[C@@H](C)N(C)C(=O)c1ccncc1Cl CSC[C@@H](C)[*:1] CN(C(=O)c1ccncc1Cl)[*:1]
C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1cccc(C(N)=O)c1 NC(=O)[*:1] C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1cccc(c1)[*:1]
O=C(NCc1ccc2nonc2c1)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 c1cc2nonc2cc1[*:1] O=C(NC[*:1])[C@@H]1CCC(=O)N(Cc2ccccn2)C1
O=C(NCc1ccc2nonc2c1)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 O=C(NCc1ccc2nonc2c1)[C@@H]1CCC(=O)N(C1)[*:1]
O=C(NCc1ccc2nonc2c1)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(NCc1ccc2nonc2c1)[C@@H]1CCC(=O)N(C1)C[*:1]
CCCOc1ccccc1O[C@@H]1CC[C@@]([NH3+])(C(=O)[O-])C1 CCC[*:1] [NH3+][C@]1(CC[C@H](C1)Oc1ccccc1O[*:1])C(=O)[O-]
CCCOc1ccccc1O[C@@H]1CC[C@@]([NH3+])(C(=O)[O-])C1 CCCO[*:1] [NH3+][C@]1(CC[C@H](C1)Oc1ccccc1[*:1])C(=O)[O-]
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc2[C@H](CCCn2n1)NC(=O)N[C@@H](CC(F)(F)F)[*:1]
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] Cc1nc2[C@H](CCCn2n1)NC(=O)N[C@@H](C[*:1])c1ccc(F)cc1
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] Cc1nc2[C@H](CCCn2n1)NC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)NC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H](C1)O2 CC(C)[*:1] O=C(N[*:1])N1C[C@H]2CN(C[C@@H](C1)O2)S(=O)(=O)c1ccccc1
CC(C)NC(=O)N1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H](C1)O2 c1ccc(cc1)[*:1] CC(C)NC(=O)N1C[C@H]2CN(C[C@@H](C1)O2)S(=O)(=O)[*:1]
C[C@H](OC(=O)CCC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](OC(=O)CCC1C[NH+]=c2ccccc2=1)C(=O)N[*:1]
CCn1nnc2cc(C(=O)N3CCCC[C@H]3c3nc4ccccc4s3)ccc21 c1ccc2sc(nc2c1)[*:1] CCn1nnc2cc(ccc21)C(=O)N1CCCC[C@@H]1[*:1]
Cc1ccnc(N(C)OCc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccnc(c1[N+](=O)[O-])N(C)OC[*:1]
Cc1ccnc(N(C)OCc2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccnc(c1[*:1])N(C)OCc1ccccc1
N#Cc1cccc(/C=C/C(=O)NCC(=O)[O-])c1 O=C([O-])[*:1] N#Cc1cccc(/C=C/C(=O)NC[*:1])c1
N#Cc1cccc(/C=C/C(=O)NCC(=O)[O-])c1 O=C([O-])C[*:1] N#Cc1cccc(/C=C/C(=O)N[*:1])c1
Cc1noc(CCCC(=O)NCc2csc(C3CC3)n2)n1 Cc1noc(n1)[*:1] O=C(CCC[*:1])NCc1csc(n1)C1CC1
Cc1noc(CCCC(=O)NCc2csc(C3CC3)n2)n1 C1CC1[*:1] Cc1noc(CCCC(=O)NCc2csc(n2)[*:1])n1
Cc1noc(CCCC(=O)NCc2csc(C3CC3)n2)n1 Cc1noc(C[*:1])n1 O=C(CC[*:1])NCc1csc(n1)C1CC1
CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 CC(C)[*:1] C[C@H]([NH2+][C@H](CO)[*:1])c1ccc(cc1)OC(F)(F)F
CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(cc1)O[*:1]
Cc1ccccc1CNC(=O)c1cnn2cc(Br)cnc12 Cc1ccccc1[*:1] O=C(NC[*:1])c1cnn2cc(Br)cnc12
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(cs1)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cccnc2)cs1 CC(C)(C)OC(=O)N[*:1] C[C@@H](C(=O)Nc1nc(cs1)-c1cccnc1)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(-c2cccnc2)cs1 CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])C(=O)Nc1nc(cs1)-c1cccnc1
CC[C@@H](C)C1(C[NH2+]C(C)C)CC1 CC(C)[*:1] CC[C@@H](C)C1(CC1)C[NH2+][*:1]
CC[C@@H](C)C1(C[NH2+]C(C)C)CC1 CC[C@@H](C)[*:1] CC(C)[NH2+]CC1(CC1)[*:1]
Cc1cccn2cc(CSc3nnnn3C)nc12 Cn1nnnc1[*:1] Cc1cccn2cc(CS[*:1])nc12
Cc1cccc(C[NH+]2CCC(OCC(=O)[O-])CC2)n1 O=C([O-])CO[*:1] Cc1cccc(C[NH+]2CCC(CC2)[*:1])n1
Cc1cccc(C[NH+]2CCC(OCC(=O)[O-])CC2)n1 O=C([O-])[*:1] Cc1cccc(C[NH+]2CCC(CC2)OC[*:1])n1
Cc1cccc(C[NH+]2CCC(OCC(=O)[O-])CC2)n1 O=C([O-])C[*:1] Cc1cccc(C[NH+]2CCC(CC2)O[*:1])n1
CON(C)C(=O)CN1CCCC[C@@H]1c1[nH]cc[nH+]1 CON(C)C(=O)[*:1] c1c[nH+]c([nH]1)[C@H]1CCCCN1C[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 FC(F)(F)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(cc2NC(=O)COc21)[*:1]
O=C1Nc2cc(S(=O)(=O)NC3CCCCC3)ccc2S[C@@H]1C(=O)N1CCOCC1 C1CCC(CC1)[*:1] O=C1Nc2cc(ccc2S[C@@H]1C(=O)N1CCOCC1)S(=O)(=O)N[*:1]
O=C1Nc2cc(S(=O)(=O)NC3CCCCC3)ccc2S[C@@H]1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C1Nc2cc(ccc2S[C@H]1[*:1])S(=O)(=O)NC1CCCCC1
NC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 O=[N+]([O-])[*:1] NC(=O)c1ccc(o1)-c1cc(ccc1Cl)[*:1]
NC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 NC(=O)[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)-c1ccc(o1)[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1cccc(Cl)c1-n1cccn1 c1cnn(c1)[*:1] CC[C@H](CSC)N(C)C(=O)Nc1cccc(Cl)c1[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1cccc(Cl)c1-n1cccn1 CSC[*:1] CC[C@H](N(C)C(=O)Nc1cccc(Cl)c1-n1cccn1)[*:1]
N#Cc1cccc(OCc2ccc(SC(F)F)cc2)c1 FC(F)[*:1] N#Cc1cccc(c1)OCc1ccc(cc1)S[*:1]
N#Cc1cccc(OCc2ccc(SC(F)F)cc2)c1 FC(F)S[*:1] N#Cc1cccc(c1)OCc1ccc(cc1)[*:1]
COc1ccc(F)cc1NC(=O)[C@H](c1ccccc1)N1CCCCC1=O c1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)[C@H](N1CCCCC1=O)[*:1]
COc1ccc(F)cc1NC(=O)[C@H](c1ccccc1)N1CCCCC1=O O=C1CCCCN1[*:1] COc1ccc(F)cc1NC(=O)[C@H](c1ccccc1)[*:1]
CCCc1nnsc1C(=O)N1CCC(Cn2cnc3cc(C)c(C)cc32)CC1 CCC[*:1] Cc1cc2ncn(CC3CCN(CC3)C(=O)c3snnc3[*:1])c2cc1C
CCCc1nnsc1C(=O)N1CCC(Cn2cnc3cc(C)c(C)cc32)CC1 CCCc1nnsc1[*:1] Cc1cc2ncn(CC3CCN(CC3)C(=O)[*:1])c2cc1C
CNC(=O)C(=O)NC[C@@](O)(CCOC)c1cccs1 c1csc(c1)[*:1] CNC(=O)C(=O)NC[C@@](O)(CCOC)[*:1]
CNC(=O)C(=O)NC[C@@](O)(CCOC)c1cccs1 COC[*:1] CNC(=O)C(=O)NC[C@@](O)(C[*:1])c1cccs1
CNC(=O)C(=O)NC[C@@](O)(CCOC)c1cccs1 COCC[*:1] CNC(=O)C(=O)NC[C@@](O)(c1cccs1)[*:1]
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2ccccc2[nH]1 CN(C)S(=O)(=O)[*:1] COc1ccc(cc1NC(=O)CSc1nc2ccccc2[nH]1)[*:1]
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(cc1NC(=O)CS[*:1])S(=O)(=O)N(C)C
COc1ncnc(N2[C@@H](C)CCC[C@H]2C[NH3+])c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ncnc(c1[*:1])N1[C@@H](C)CCC[C@H]1C[NH3+]
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)cc2)cc1 Cc1cc(C)cc(c1)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)cc2)cc1 Cc1ccc(cc1)NS(=O)(=O)[*:1] Cc1cc(C)cc(c1)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
c1ccc2c(c1)CCSC[C@@H]2NCc1nncn1C1CC1 C1CC1[*:1] c1ccc2c(c1)CCSC[C@@H]2NCc1nncn1[*:1]
Cc1ccc(C2=NO[C@H]([C@H]3C=C(c4ccc(C(C)C)cc4)N=N3)N2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)C1=C[C@@H](N=N1)[C@@H]1NC(=NO1)[*:1]
Cc1ccc(C2=NO[C@H]([C@H]3C=C(c4ccc(C(C)C)cc4)N=N3)N2)cc1 CC(C)[*:1] Cc1ccc(cc1)C1=NO[C@@H](N1)[C@H]1C=C(N=N1)c1ccc(cc1)[*:1]
CC(C)c1ccc(OCc2nc(-c3ccc(C#N)cn3)no2)cc1 CC(C)[*:1] N#Cc1ccc(nc1)-c1noc(COc2ccc(cc2)[*:1])n1
CC(C)c1ccc(OCc2nc(-c3ccc(C#N)cn3)no2)cc1 N#Cc1ccc(nc1)[*:1] CC(C)c1ccc(cc1)OCc1nc(no1)[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)NC1CCN(CC1)C(=O)[*:1]
C[C@@H](CNC(=O)c1c(Cl)ccc(Cl)c1Cl)N1CCOC[C@@H]1C C[C@H]1COCCN1[*:1] C[C@@H](CNC(=O)c1c(Cl)ccc(Cl)c1Cl)[*:1]
CC(C)Cc1ccc([C@@H](C#N)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)Cc1ccc(cc1)[C@@H](C#N)N[*:1]
CC(C)Cc1ccc([C@@H](C#N)Nc2ccccc2)cc1 CC(C)C[*:1] N#C[C@@H](Nc1ccccc1)c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H](C#N)Nc2ccccc2)cc1 CC(C)[*:1] N#C[C@@H](Nc1ccccc1)c1ccc(cc1)C[*:1]
Cc1cc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[*:1]
CC(C)[NH2+][C@]1(C(N)=O)CCCS[C@@H]1C NC(=O)[*:1] CC(C)[NH2+][C@@]1(CCCS[C@@H]1C)[*:1]
CC(C)[NH2+][C@]1(C(N)=O)CCCS[C@@H]1C CC(C)[*:1] C[C@H]1SCCC[C@]1([NH2+][*:1])C(N)=O
COc1ccc2c(c1)CCN(C(=O)[C@@H]1CCCN(C(=O)NCc3cccs3)C1)C2 c1csc(c1)[*:1] COc1ccc2CN(CCc2c1)C(=O)[C@@H]1CCCN(C1)C(=O)NC[*:1]
COc1ccc2c(c1)CCN(C(=O)[C@@H]1CCCN(C(=O)NCc3cccs3)C1)C2 c1csc(c1)C[*:1] COc1ccc2CN(CCc2c1)C(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CCCCN(CC(N)=O)C(=O)C1CCN(C(=O)c2ccoc2)CC1 NC(=O)C[*:1] CCCCN(C(=O)C1CCN(CC1)C(=O)c1ccoc1)[*:1]
CCCCN(CC(N)=O)C(=O)C1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] CCCCN(CC(N)=O)C(=O)C1CCN(CC1)C(=O)[*:1]
CCCCN(CC(N)=O)C(=O)C1CCN(C(=O)c2ccoc2)CC1 CCC[*:1] NC(=O)CN(C[*:1])C(=O)C1CCN(CC1)C(=O)c1ccoc1
CCCCN(CC(N)=O)C(=O)C1CCN(C(=O)c2ccoc2)CC1 NC(=O)[*:1] CCCCN(C[*:1])C(=O)C1CCN(CC1)C(=O)c1ccoc1
CCCCN(CC(N)=O)C(=O)C1CCN(C(=O)c2ccoc2)CC1 CCCC[*:1] NC(=O)CN(C(=O)C1CCN(CC1)C(=O)c1ccoc1)[*:1]
C[C@@H]1Cc2cc(-c3cc(COC(=O)CSc4ncccn4)no3)ccc2O1 c1cnc(nc1)[*:1] C[C@@H]1Cc2cc(ccc2O1)-c1cc(COC(=O)CS[*:1])no1
C[C@@H]1Cc2cc(-c3cc(COC(=O)CSc4ncccn4)no3)ccc2O1 c1cnc(nc1)S[*:1] C[C@@H]1Cc2cc(ccc2O1)-c1cc(COC(=O)C[*:1])no1
C[C@@H]1Cc2cc(-c3cc(COC(=O)CSc4ncccn4)no3)ccc2O1 c1cnc(nc1)SC[*:1] C[C@@H]1Cc2cc(ccc2O1)-c1cc(COC(=O)[*:1])no1
N#CCc1ccc(C(=O)Oc2ccc(C#N)cc2F)cc1 N#CC[*:1] N#Cc1ccc(OC(=O)c2ccc(cc2)[*:1])c(F)c1
CCOc1cc(C)ccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 CCOc1cc(C)ccc1NC(=O)c1cccc(c1)[*:1]
CCOc1cc(C)ccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 CCO[*:1] Cc1ccc(NC(=O)c2cccc(c2)NC(=O)c2cccs2)c(c1)[*:1]
CCOc1cc(C)ccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] CCOc1cc(C)ccc1NC(=O)c1cccc(c1)NC(=O)[*:1]
COC(=O)c1[nH]c(C)cc1NC(=O)c1cnn(-c2ccccn2)c1C c1ccc(nc1)[*:1] COC(=O)c1[nH]c(C)cc1NC(=O)c1cnn(c1C)[*:1]
COC(=O)c1[nH]c(C)cc1NC(=O)c1cnn(-c2ccccn2)c1C COC(=O)[*:1] Cc1cc(NC(=O)c2cnn(-c3ccccn3)c2C)c([nH]1)[*:1]
COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C)c(C)nc2c1 Cc1cc(Cl)ccc1[*:1] COc1ccc2cc(C(=O)N[*:1])c(C)nc2c1
COc1ccccc1NC(=O)/C(C#N)=C/c1sccc1C Cc1ccsc1[*:1] COc1ccccc1NC(=O)C(C#N)=C[*:1]
C[C@H](NC(=O)[C@H](C)CC(=O)c1ccccc1F)c1ccc(F)c(Cl)c1 Fc1ccccc1[*:1] C[C@H](NC(=O)[C@H](C)CC(=O)[*:1])c1ccc(F)c(Cl)c1
C[C@H](NC(=O)[C@H](C)CC(=O)c1ccccc1F)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] C[C@H](NC(=O)[C@H](C)CC(=O)c1ccccc1F)[*:1]
Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)c3)nn12 c1ccc(cc1)[*:1] Cc1nnc2sc(nn12)-c1cccc(c1)NC(=S)NC(=O)c1ccc(cc1)[*:1]
C=CCSc1ccccc1NC(=O)CN1CCC([NH3+])CC1 C=CC[*:1] [NH3+]C1CCN(CC1)CC(=O)Nc1ccccc1S[*:1]
C=CCSc1ccccc1NC(=O)CN1CCC([NH3+])CC1 C=CCS[*:1] [NH3+]C1CCN(CC1)CC(=O)Nc1ccccc1[*:1]
C=CCSc1ccccc1NC(=O)CN1CCC([NH3+])CC1 [NH3+]C1CCN(CC1)[*:1] C=CCSc1ccccc1NC(=O)C[*:1]
O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc2c(c1)nnn2C[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc2c(c1)nnn2[*:1] O=C(c1ccc(cc1)C[*:1])N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)Cn1nnc2ccccc21)N1CCN(CC1)S(=O)(=O)C=C[*:1]
O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(c1ccc(cc1)Cn1nnc2ccccc21)N1CCN(CC1)S(=O)(=O)[*:1]
CCc1nn(C)c2c1nc(N)n2[C@H](c1cccs1)C(C)C c1csc(c1)[*:1] CCc1nn(C)c2c1nc(N)n2[C@H](C(C)C)[*:1]
CCc1nn(C)c2c1nc(N)n2[C@H](c1cccs1)C(C)C CC(C)[*:1] CCc1nn(C)c2c1nc(N)n2[C@H](c1cccs1)[*:1]
CCCn1cncc1[C@H](O)CC[NH3+] CCC[*:1] [NH3+]CC[C@@H](O)c1cncn1[*:1]
CC(C)CC[C@](C)(O)CNC(=O)c1ccc(F)cc1F CC(C)[*:1] C[C@](O)(CC[*:1])CNC(=O)c1ccc(F)cc1F
CC(C)CC[C@](C)(O)CNC(=O)c1ccc(F)cc1F CC(C)CC[*:1] C[C@](O)(CNC(=O)c1ccc(F)cc1F)[*:1]
CC(C)CC[C@](C)(O)CNC(=O)c1ccc(F)cc1F CC(C)C[*:1] C[C@@](O)(CNC(=O)c1ccc(F)cc1F)C[*:1]
O=C(c1ccccc1OC(F)F)N1CCN(C(=O)[C@H]2CCCO2)CC1 FC(F)O[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
O=C(c1ccccc1OC(F)F)N1CCN(C(=O)[C@H]2CCCO2)CC1 FC(F)[*:1] O=C(c1ccccc1O[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
C[C@H](O)c1ccn(Cc2ccc(Cl)cc2Cl)c1 C[C@H](O)[*:1] Clc1ccc(Cn2ccc(c2)[*:1])c(Cl)c1
C[NH+](C)CCN(C(=O)Cc1ccc(Cl)cc1)c1nc2c(S(C)(=O)=O)cccc2s1 Clc1ccc(cc1)[*:1] C[NH+](C)CCN(C(=O)C[*:1])c1nc2c(cccc2s1)S(C)(=O)=O
C[NH+](C)CCN(C(=O)Cc1ccc(Cl)cc1)c1nc2c(S(C)(=O)=O)cccc2s1 Clc1ccc(cc1)C[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2c(cccc2s1)S(C)(=O)=O
C[NH+](C)CCN(C(=O)Cc1ccc(Cl)cc1)c1nc2c(S(C)(=O)=O)cccc2s1 CS(=O)(=O)[*:1] C[NH+](C)CCN(C(=O)Cc1ccc(Cl)cc1)c1nc2c(cccc2s1)[*:1]
COc1ccc2cc(/C(C)=N/Nc3ccccn3)ccc2c1 c1ccc(nc1)[*:1] COc1ccc2cc(ccc2c1)/C(C)=N/N[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)NC(C)(C)c1nc(C)cs1 Cc1csc(n1)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)NC(C)(C)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)NC(C)(C)c1nc(C)cs1 CCC[*:1] Cc1csc(n1)C(C)(C)NC(=O)N[C@H]1C[C@H]1[*:1]
Brc1cc2c(cc1/C=N\Nc1ccccn1)OCO2 c1ccc(nc1)[*:1] Brc1cc2OCOc2cc1/C=N\N[*:1]
COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 COC(=O)[*:1] CSCC[C@]1([NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@@H]21)c1ccccc1)[*:1]
COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 c1ccc(cc1)[*:1] COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1]
COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 Cc1ccccc1[*:1] COC(=O)[C@@]1(CCSC)[NH2+][C@H]([C@H]2C(=O)N(C(=O)[C@@H]21)c1ccccc1)[*:1]
COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 CSC[*:1] COC(=O)[C@@]1(C[*:1])[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@@H]21)c1ccccc1
COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 CSCC[*:1] COC(=O)[C@]1([NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@@H]21)c1ccccc1)[*:1]
CCCn1cc(NC(=O)Nc2cc(C(=O)NC)ccc2Cl)cn1 CCC[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)Nc1cnn(c1)[*:1]
CCCn1cc(NC(=O)Nc2cc(C(=O)NC)ccc2Cl)cn1 CNC(=O)[*:1] CCCn1cc(cn1)NC(=O)Nc1cc(ccc1Cl)[*:1]
COC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(cc1)[N+](=O)[O-]
COC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@H]1CC=CC[C@H]1C(=O)N[*:1]
COC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(cc1)[N+](=O)[O-]
C=CCOc1ccc(CN2CCOCC23CCC3)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])CN1CCOCC12CCC2
C=CCOc1ccc(CN2CCOCC23CCC3)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])CN1CCOCC12CCC2
Cc1ccsc1C[NH2+]Cc1nc2ccccc2n1C Cc1ccsc1[*:1] Cn1c(C[NH2+]C[*:1])nc2ccccc21
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COCC(F)(F)F FC(F)(F)COC[*:1] COc1ccc(cc1[*:1])[C@@H]1C(C#N)=C(N)OC2CCCC(=O)C=21
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COCC(F)(F)F FC(F)(F)C[*:1] COc1ccc(cc1CO[*:1])[C@@H]1C(C#N)=C(N)OC2CCCC(=O)C=21
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COCC(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1COC[*:1])[C@@H]1C(C#N)=C(N)OC2CCCC(=O)C=21
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COCC(F)(F)F FC(F)(F)CO[*:1] COc1ccc(cc1C[*:1])[C@@H]1C(C#N)=C(N)OC2CCCC(=O)C=21
COCCn1cc(NC(=O)N2CCC(COc3ccccc3)CC2)cn1 c1ccc(cc1)[*:1] COCCn1cc(cn1)NC(=O)N1CCC(CC1)CO[*:1]
COCCn1cc(NC(=O)N2CCC(COc3ccccc3)CC2)cn1 COCC[*:1] O=C(Nc1cnn(c1)[*:1])N1CCC(CC1)COc1ccccc1
COCCn1cc(NC(=O)N2CCC(COc3ccccc3)CC2)cn1 c1ccc(cc1)O[*:1] COCCn1cc(cn1)NC(=O)N1CCC(CC1)C[*:1]
COCCn1cc(NC(=O)N2CCC(COc3ccccc3)CC2)cn1 c1ccc(cc1)OC[*:1] COCCn1cc(cn1)NC(=O)N1CCC(CC1)[*:1]
COCCn1cc(NC(=O)N2CCC(COc3ccccc3)CC2)cn1 COC[*:1] O=C(Nc1cnn(c1)C[*:1])N1CCC(CC1)COc1ccccc1
COCC[NH+]1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 COCC[*:1] O=C(CN1CC[NH+](CC1)[*:1])NCc1ccc(Cl)s1
COCC[NH+]1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 Clc1ccc(C[*:1])s1 COCC[NH+]1CCN(CC1)CC(=O)N[*:1]
COCC[NH+]1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] COCC[NH+]1CCN(CC1)CC(=O)NC[*:1]
COCC[NH+]1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 COC[*:1] O=C(CN1CC[NH+](CC1)C[*:1])NCc1ccc(Cl)s1
CCCNC(=O)[C@H](C)[S@](=O)c1ccc(Br)cc1[N+](=O)[O-] CCCNC(=O)[*:1] C[C@H]([S@](=O)c1ccc(Br)cc1[N+](=O)[O-])[*:1]
CCCNC(=O)[C@H](C)[S@](=O)c1ccc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCNC(=O)[C@H](C)[S@](=O)c1ccc(Br)cc1[*:1]
CCCNC(=O)[C@H](C)[S@](=O)c1ccc(Br)cc1[N+](=O)[O-] CCC[*:1] C[C@@H](C(=O)N[*:1])[S@](=O)c1ccc(Br)cc1[N+](=O)[O-]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[*:1]
C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c2ccccc21 O=S(=O)(N1CCOCC1)[*:1] C[C@@H]1CCN(C(=O)c2cc(ccc2F)[*:1])c2ccccc21
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2)cc1 C=CC[*:1] CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] C=CCNS(=O)(=O)c1ccc(cc1)C(=O)N(C)C[*:1]
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] C=CCNS(=O)(=O)c1ccc(cc1)C(=O)N(C)[*:1]
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2)cc1 C=CCNS(=O)(=O)[*:1] CN(Cc1ccccc1)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(-c2nnc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n2C)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(CC2)[*:1])n1C
Cc1ccc(-c2nnc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n2C)cc1 Cc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)N1CCN(CC1)Cc1ccccc1
Cc1ccc(-c2nnc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(CC2)C[*:1])n1C
Cc1ccc(C)c(S(=O)(=O)N(C)CCc2noc(C3CCCCC3)n2)c1 C1CCC(CC1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N(C)CCc1noc(n1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N(C)CCc2noc(C3CCCCC3)n2)c1 Cc1ccc(C)c(c1)[*:1] CN(CCc1noc(n1)C1CCCCC1)S(=O)(=O)[*:1]
CCN(CC)C(=O)[C@H](C)Nc1ccc(N2CCCS2(=O)=O)cc1 CCN(CC)C(=O)[*:1] C[C@H](Nc1ccc(cc1)N1CCCS1(=O)=O)[*:1]
CCN(CC)C(=O)[C@H](C)Nc1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] CCN(CC)C(=O)[C@H](C)Nc1ccc(cc1)[*:1]
CC(C)OC(=O)N1CCC(OC(=O)c2ccoc2)CC1 CC(C)[*:1] O=C(OC1CCN(CC1)C(=O)O[*:1])c1ccoc1
CC(C)OC(=O)N1CCC(OC(=O)c2ccoc2)CC1 c1cc(co1)[*:1] CC(C)OC(=O)N1CCC(CC1)OC(=O)[*:1]
N/C(COc1ccc(C2SCCS2)cc1)=N\OC(=O)c1ccc(Cl)cc1 C1CSC(S1)[*:1] N/C(COc1ccc(cc1)[*:1])=N\OC(=O)c1ccc(Cl)cc1
N/C(COc1ccc(C2SCCS2)cc1)=N\OC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N/C(COc1ccc(cc1)C1SCCS1)=N\OC(=O)[*:1]
O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)N1CCN(C(=O)c2ccco2)CC1 Clc1ccc(s1)[*:1] O=C(CC1CCN(CC1)S(=O)(=O)[*:1])N1CCN(CC1)C(=O)c1ccco1
O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(CC1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(N2CCN(CC(=O)NC3CCCC3)C2=O)cc1OC O=C(NC1CCCC1)[*:1] COc1ccc(cc1OC)N1CCN(C[*:1])C1=O
COc1ccc(N2CCN(CC(=O)NC3CCCC3)C2=O)cc1OC C1CCC(C1)[*:1] COc1ccc(cc1OC)N1CCN(CC(=O)N[*:1])C1=O
COc1ccccc1Cc1nnc(NC(=O)c2ccc(C)cc2)s1 COc1ccccc1[*:1] Cc1ccc(cc1)C(=O)Nc1nnc(C[*:1])s1
COc1ccccc1Cc1nnc(NC(=O)c2ccc(C)cc2)s1 Cc1ccc(cc1)[*:1] COc1ccccc1Cc1nnc(NC(=O)[*:1])s1
CC(C)C(=O)N1CC[C@@H](NC(=O)c2cccnc2OCC(F)F)C1 FC(F)C[*:1] CC(C)C(=O)N1CC[C@H](C1)NC(=O)c1cccnc1O[*:1]
CC(C)C(=O)N1CC[C@@H](NC(=O)c2cccnc2OCC(F)F)C1 FC(F)[*:1] CC(C)C(=O)N1CC[C@H](C1)NC(=O)c1cccnc1OC[*:1]
CC(C)C(=O)N1CC[C@@H](NC(=O)c2cccnc2OCC(F)F)C1 CC(C)[*:1] O=C(N[C@@H]1CCN(C1)C(=O)[*:1])c1cccnc1OCC(F)F
CC(C)C(=O)N1CC[C@@H](NC(=O)c2cccnc2OCC(F)F)C1 FC(F)CO[*:1] CC(C)C(=O)N1CC[C@H](C1)NC(=O)c1cccnc1[*:1]
Cc1cc(C)cc(/N=C2\N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCCN4CCOCC4)[C@H]3S2)c1 C1CN(CCO1)C[*:1] Cc1cc(C)cc(c1)/N=C1\N[C@H]2[C@@H](O)[C@H](O)C[C@H](C(=O)NC[*:1])[C@H]2S1
Cc1cc(C)cc(/N=C2\N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCCN4CCOCC4)[C@H]3S2)c1 C1CN(CCO1)CC[*:1] Cc1cc(C)cc(c1)/N=C1\N[C@H]2[C@@H](O)[C@H](O)C[C@H](C(=O)N[*:1])[C@H]2S1
Cc1cc(C)cc(/N=C2\N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCCN4CCOCC4)[C@H]3S2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCN1CCOCC1)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2NC(=N[*:1])S[C@@H]21
Cc1cc(C)cc(/N=C2\N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCCN4CCOCC4)[C@H]3S2)c1 C1CN(CCO1)[*:1] Cc1cc(C)cc(c1)/N=C1\N[C@H]2[C@@H](O)[C@H](O)C[C@H](C(=O)NCC[*:1])[C@H]2S1
COc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2)c1 COc1cccc(c1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)CNS(=O)(=O)[*:1]
COc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2)c1 CC(C)(C)[*:1] COc1cccc(c1)S(=O)(=O)NCC(=O)Nc1ccc(cc1)[*:1]
N#Cc1ccc(/C=C/CN2CCO[C@H](c3ccsc3)C2)cc1 c1cc(cs1)[*:1] N#Cc1ccc(/C=C/CN2CCO[C@H](C2)[*:1])cc1
Cc1ccc(CC(=O)Nc2ccnc(N(C)C)n2)s1 Cc1ccc(s1)[*:1] CN(C)c1nccc(n1)NC(=O)C[*:1]
Cc1ccc(CC(=O)Nc2ccnc(N(C)C)n2)s1 CN(C)[*:1] Cc1ccc(CC(=O)Nc2ccnc(n2)[*:1])s1
Cc1ccc(C(=O)N2CCCC[C@H]2C(N)=O)c(F)c1 NC(=O)[*:1] Cc1ccc(C(=O)N2CCCC[C@@H]2[*:1])c(F)c1
CC(C)[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CN(C)CCO1 CN1CCO[C@H](C1)[*:1] CC(C)[NH2+]Cc1cc(Cl)ccc1OC[*:1]
CC(C)[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CN(C)CCO1 CC(C)[*:1] CN1CCO[C@@H](COc2ccc(Cl)cc2C[NH2+][*:1])C1
CCCc1nnc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)s1 CCC[*:1] O=C(Nc1nnc(s1)[*:1])c1c(Cl)ccc(Cl)c1Cl
NC(=O)N[C@@H](Cc1ccc2c(c1)CCCC2)C(=O)[O-] O=C([O-])[*:1] NC(=O)N[C@@H](Cc1ccc2CCCCc2c1)[*:1]
NC(=O)N[C@@H](Cc1ccc2c(c1)CCCC2)C(=O)[O-] NC(=O)N[*:1] O=C([O-])[C@H](Cc1ccc2CCCCc2c1)[*:1]
CC[NH2+][C@@H](Cc1ccc(F)c(F)c1)C1CCC1 C1CC(C1)[*:1] CC[NH2+][C@@H](Cc1ccc(F)c(F)c1)[*:1]
OCCc1ccc(-c2ccc(Cl)cc2)o1 OCC[*:1] Clc1ccc(cc1)-c1ccc(o1)[*:1]
CCn1cc(C(=O)N[C@@H](C)C(=O)N2CCN(C)CC2)c(=O)c2cc3c(cc21)OCO3 CN1CCN(CC1)C(=O)[*:1] CCn1cc(C(=O)N[C@@H](C)[*:1])c(=O)c2cc3OCOc3cc21
CCNc1nc(-c2ccc(C)c(C)c2)cs1 CCN[*:1] Cc1ccc(cc1C)-c1csc(n1)[*:1]
COc1cc(C)ccc1OC(=O)[C@@H](C)NC(=O)c1ccoc1 c1cc(co1)[*:1] COc1cc(C)ccc1OC(=O)[C@@H](C)NC(=O)[*:1]
C[C@]1(C(=O)Nc2ccnn2Cc2ccsc2)CC1(Cl)Cl c1cc(cs1)C[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)Nc1ccnn1[*:1]
C[C@]1(C(=O)Nc2ccnn2Cc2ccsc2)CC1(Cl)Cl c1cc(cs1)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)Nc1ccnn1C[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](n2cc[nH+]c2)C1 CC(C)[*:1] NC(=O)[C@@]1(CC[C@H](C1)n1cc[nH+]c1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](n2cc[nH+]c2)C1 CC(C)[NH2+][*:1] NC(=O)[C@]1(CC[C@H](C1)n1cc[nH+]c1)[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](n2cc[nH+]c2)C1 NC(=O)[*:1] CC(C)[NH2+][C@]1(CC[C@H](C1)n1cc[nH+]c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)C2)cc1 c1ccc2oc(cc2c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1nc(cs1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1cc2ccccc2o1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)C1 c1cncc(c1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1cc(nc2ccc(Cl)cc12)[*:1]
Cc1cccc(C(=O)NCc2noc(-c3ccccc3)n2)c1 Cc1cccc(c1)[*:1] O=C(NCc1noc(n1)-c1ccccc1)[*:1]
Cc1cccc(C(=O)NCc2noc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NCc1noc(n1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccc[nH]1 c1c[nH]c(c1)C[*:1] Cc1nn(cc1C(=O)N[*:1])-c1ccc(Cl)cc1
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccc[nH]1 c1c[nH]c(c1)[*:1] Cc1nn(cc1C(=O)NC[*:1])-c1ccc(Cl)cc1
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccc[nH]1 Clc1ccc(cc1)[*:1] Cc1nn(cc1C(=O)NCc1ccc[nH]1)[*:1]
CC(C)c1nc(NC(=O)c2[nH]ncc2Br)n(C)n1 Brc1cn[nH]c1[*:1] CC(C)c1nc(NC(=O)[*:1])n(C)n1
CC(C)c1nc(NC(=O)c2[nH]ncc2Br)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)c1[nH]ncc1Br)[*:1]
COCC[C@@H](C)C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 COC[*:1] C[C@H](C[*:1])C(=O)N1CCC[C@H]1c1nnc2CCCCCn21
COCC[C@@H](C)C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 COCC[C@@H](C)[*:1] O=C(N1CCC[C@H]1c1nnc2CCCCCn21)[*:1]
COCC[C@@H](C)C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 COCC[*:1] C[C@@H](C(=O)N1CCC[C@H]1c1nnc2CCCCCn21)[*:1]
CC(C)c1ccc(-c2nnn(CC(=O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 CS(=O)(=O)N[*:1] CC(C)c1ccc(cc1)-c1nnn(CC(=O)c2ccc(cc2)[*:1])n1
CC(C)c1ccc(-c2nnn(CC(=O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 CC(C)[*:1] CS(=O)(=O)Nc1ccc(cc1)C(=O)Cn1nnc(n1)-c1ccc(cc1)[*:1]
CC(C)c1ccc(-c2nnn(CC(=O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 CC(C)c1ccc(cc1)[*:1] CS(=O)(=O)Nc1ccc(cc1)C(=O)Cn1nnc(n1)[*:1]
CC(C)c1ccc(-c2csc3ncn(N)c(=O)c23)cc1 CC(C)[*:1] Nn1cnc2scc(-c3ccc(cc3)[*:1])c2c1=O
O=C(NCCC1=CCCCC1)N1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(NCCC1=CCCCC1)N1CCN(CC1)C(=O)[*:1]
COC(=O)C[C@@H](C=O)C(=O)OC COC(=O)[*:1] COC(=O)C[C@@H](C=O)[*:1]
COC(=O)C[C@@H](C=O)C(=O)OC COC(=O)[*:1] COC(=O)[C@H](C=O)C[*:1]
OCC[NH+](C/C=C/c1ccc(F)cc1)Cc1cccnc1 c1cncc(c1)C[*:1] OCC[NH+](C/C=C/c1ccc(F)cc1)[*:1]
OCC[NH+](C/C=C/c1ccc(F)cc1)Cc1cccnc1 Fc1ccc(cc1)[*:1] OCC[NH+](CC=C[*:1])Cc1cccnc1
OCC[NH+](C/C=C/c1ccc(F)cc1)Cc1cccnc1 c1cncc(c1)[*:1] OCC[NH+](C/C=C/c1ccc(F)cc1)C[*:1]
COc1ccccc1[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)[NH+]1CCCC1 COc1ccccc1[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H]([NH+]1CCCC1)[*:1]
CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(C)cc(Cl)cc4s3)CC2)cc1 CSc1ccc(cc1)[*:1] Cc1cc(Cl)cc2sc(nc12)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)[C@H]1[C@H](c2c(F)cccc2F)NC(=S)N(c2ccc3c(c2)OCCO3)[C@@]1(O)C(C)C COC(=O)[*:1] CC(C)[C@@]1(O)[C@H]([C@@H](NC(=S)N1c1ccc2OCCOc2c1)c1c(F)cccc1F)[*:1]
COC(=O)[C@H]1[C@H](c2c(F)cccc2F)NC(=S)N(c2ccc3c(c2)OCCO3)[C@@]1(O)C(C)C c1cc2OCCOc2cc1[*:1] COC(=O)[C@H]1[C@@H](NC(=S)N([C@@]1(O)C(C)C)[*:1])c1c(F)cccc1F
COC(=O)[C@H]1[C@H](c2c(F)cccc2F)NC(=S)N(c2ccc3c(c2)OCCO3)[C@@]1(O)C(C)C Fc1cccc(F)c1[*:1] COC(=O)[C@H]1[C@H](NC(=S)N(c2ccc3OCCOc3c2)[C@@]1(O)C(C)C)[*:1]
COC(=O)[C@H]1[C@H](c2c(F)cccc2F)NC(=S)N(c2ccc3c(c2)OCCO3)[C@@]1(O)C(C)C CC(C)[*:1] COC(=O)[C@H]1[C@@H](NC(=S)N(c2ccc3OCCOc3c2)[C@]1(O)[*:1])c1c(F)cccc1F
C[C@H](O)C[C@H]1CCCCN1C(=O)c1cc(F)c(F)c(F)c1 C[C@H](O)C[*:1] O=C(c1cc(F)c(F)c(F)c1)N1CCCC[C@@H]1[*:1]
C[C@H](O)C[C@H]1CCCCN1C(=O)c1cc(F)c(F)c(F)c1 C[C@H](O)[*:1] O=C(c1cc(F)c(F)c(F)c1)N1CCCC[C@@H]1C[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)Cn1cnc2c(cnn2C)c1=O)[*:1]
CCOC(=O)C1(c2nncn2-c2ccccc2)CCCC1 c1ccc(cc1)[*:1] CCOC(=O)C1(CCCC1)c1nncn1[*:1]
CCOC(=O)C1(c2nncn2-c2ccccc2)CCCC1 CCOC(=O)[*:1] c1ccc(cc1)-n1cnnc1C1(CCCC1)[*:1]
O=C([O-])c1ccc(NC(=O)N2CCOCC2)c([N+](=O)[O-])c1 O=C([O-])[*:1] O=C(Nc1ccc(cc1[N+](=O)[O-])[*:1])N1CCOCC1
O=C([O-])c1ccc(NC(=O)N2CCOCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C([O-])c1ccc(NC(=O)N2CCOCC2)c(c1)[*:1]
CC(C)c1nnc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)s1 CC(C)[*:1] Cn1c(=O)c2c(ncn2CCC(=O)Nc2nnc(s2)[*:1])n(C)c1=O
CC(C)c1nnc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)s1 CC(C)c1nnc(s1)[*:1] Cn1c(=O)c2c(ncn2CCC(=O)N[*:1])n(C)c1=O
COCC[NH+](C)CC(=O)N(C)Cc1cccs1 c1csc(c1)[*:1] COCC[NH+](C)CC(=O)N(C)C[*:1]
COCC[NH+](C)CC(=O)N(C)Cc1cccs1 COC[*:1] CN(Cc1cccs1)C(=O)C[NH+](C)C[*:1]
COCC[NH+](C)CC(=O)N(C)Cc1cccs1 COCC[*:1] CN(Cc1cccs1)C(=O)C[NH+](C)[*:1]
Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cccc(N(C)C)c1 O=C(NC1CCCCC1)[*:1] Cc1cc(ccc1NC(=O)c1cccc(c1)N(C)C)[*:1]
Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cccc(N(C)C)c1 C1CCC(CC1)[*:1] Cc1cc(ccc1NC(=O)c1cccc(c1)N(C)C)C(=O)N[*:1]
Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cccc(N(C)C)c1 CN(C)c1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)[*:1])C(=O)NC1CCCCC1
Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cccc(N(C)C)c1 CN(C)[*:1] Cc1cc(ccc1NC(=O)c1cccc(c1)[*:1])C(=O)NC1CCCCC1
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N(C)C[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(F)cc3)CC2)cc1 CC(C)c1ccc(cc1)[*:1] CN(Cc1ccc(F)cc1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(F)cc3)CC2)cc1 CC(C)[*:1] CN(Cc1ccc(F)cc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)C[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N(C)[*:1]
Fc1ccc(Nc2ncnc3onc(-c4ccc(Cl)cc4)c23)c(F)c1 Fc1ccc(c(F)c1)[*:1] Clc1ccc(cc1)-c1noc2ncnc(N[*:1])c12
Fc1ccc(Nc2ncnc3onc(-c4ccc(Cl)cc4)c23)c(F)c1 Clc1ccc(cc1)[*:1] Fc1ccc(Nc2ncnc3onc(c23)[*:1])c(F)c1
O=C(O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(O/N=C(/c1ccncc1)c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 O=[N+]([O-])[*:1] O=C(O/N=C(/c1ccncc1)c1ccc(cc1)[*:1])c1cccc(Br)c1
O=C(O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 c1cc(ccn1)[*:1] O=C(ON=C(c1ccc(cc1)[N+](=O)[O-])[*:1])c1cccc(Br)c1
O=C(O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(O/N=C(/c1ccncc1)[*:1])c1cccc(Br)c1
Cc1sc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] CC(C)(C)C[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)N1CCN(CC1)C[*:1]
Cc1sc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] CC(C)(C)CC[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)N1CCN(CC1)[*:1]
Cc1sc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] CC(C)(C)[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)N1CCN(CC1)CC[*:1]
Cc1sc(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1sc(cc1[*:1])C(=O)N1CCN(CC1)CCC(C)(C)C
C[C@H](NC(=O)C[NH+]1CCC2(CC1)OCCO2)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@H](NC(=O)C[NH+]1CCC2(CC1)OCCO2)[*:1]
C[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 C[C@H]1CCCCN1C(=O)[*:1] FC(F)(F)[C@H]1C[C@@H](Nc2cc(nn21)[*:1])c1cccs1
C[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 c1csc(c1)[*:1] C[C@H]1CCCCN1C(=O)c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
C[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 FC(F)(F)[*:1] C[C@H]1CCCCN1C(=O)c1cc2N[C@H](C[C@H](n2n1)[*:1])c1cccs1
Cc1c(Cl)cccc1NC(=O)CSc1nnc2nc([O-])c(C(C)(C)C)nn12 CC(C)(C)[*:1] Cc1c(Cl)cccc1NC(=O)CSc1nnc2nc([O-])c(nn12)[*:1]
Cc1c(Cl)cccc1NC(=O)CSc1nnc2nc([O-])c(C(C)(C)C)nn12 Cc1c(Cl)cccc1[*:1] CC(C)(C)c1nn2c(nnc2nc1[O-])SCC(=O)N[*:1]
O=C([O-])CCNC(=O)c1ccccc1OC(F)F O=C([O-])[*:1] O=C(NCC[*:1])c1ccccc1OC(F)F
O=C([O-])CCNC(=O)c1ccccc1OC(F)F FC(F)[*:1] O=C([O-])CCNC(=O)c1ccccc1O[*:1]
O=C([O-])CCNC(=O)c1ccccc1OC(F)F O=C([O-])CC[*:1] O=C(N[*:1])c1ccccc1OC(F)F
O=C([O-])CCNC(=O)c1ccccc1OC(F)F O=C([O-])C[*:1] O=C(NC[*:1])c1ccccc1OC(F)F
O=C([O-])CCNC(=O)c1ccccc1OC(F)F FC(F)O[*:1] O=C([O-])CCNC(=O)c1ccccc1[*:1]
NC(=O)c1nn(C[C@H](O)c2ccc(F)c(F)c2)c(=O)c2ccccc12 Fc1ccc(cc1F)[*:1] NC(=O)c1nn(C[C@H](O)[*:1])c(=O)c2ccccc12
NC(=O)c1nn(C[C@H](O)c2ccc(F)c(F)c2)c(=O)c2ccccc12 NC(=O)[*:1] O=c1c2ccccc2c(nn1C[C@H](O)c1ccc(F)c(F)c1)[*:1]
[NH3+][C@H](COc1ccccc1)[C@@H]1CCOC2(CCCC2)C1 c1ccc(cc1)[*:1] [NH3+][C@H](CO[*:1])[C@@H]1CCOC2(CCCC2)C1
CC(C)CNC(=O)Cn1c(=O)c(C#N)cn(C2CC2)c1=O CC(C)[*:1] N#Cc1cn(c(=O)n(CC(=O)NC[*:1])c1=O)C1CC1
CC(C)CNC(=O)Cn1c(=O)c(C#N)cn(C2CC2)c1=O CC(C)C[*:1] N#Cc1cn(c(=O)n(CC(=O)N[*:1])c1=O)C1CC1
CC(C)CNC(=O)Cn1c(=O)c(C#N)cn(C2CC2)c1=O C1CC1[*:1] CC(C)CNC(=O)Cn1c(=O)c(C#N)cn(c1=O)[*:1]
CC(C)CNC(=O)Cn1c(=O)c(C#N)cn(C2CC2)c1=O CC(C)CNC(=O)[*:1] N#Cc1cn(c(=O)n(C[*:1])c1=O)C1CC1
CCOC(=O)NCC/C([O-])=N/S(=O)(=O)c1ccc(C)cc1 CCOC(=O)N[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])CC[*:1]
CCOC(=O)NCC/C([O-])=N/S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCOC(=O)NCC/C([O-])=N/S(=O)(=O)[*:1]
CCOC(=O)NCC/C([O-])=N/S(=O)(=O)c1ccc(C)cc1 CCOC(=O)NC[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])C[*:1]
Cn1cc(C[NH2+][C@H]2CCC[C@]2(C)CO)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C[NH2+][C@H]2CCC[C@]2(C)CO)c(n1)[*:1]
[NH3+]CCCNC(=O)Cn1cc(Cl)c(C(F)(F)F)n1 [NH3+]CC[*:1] O=C(Cn1cc(Cl)c(n1)C(F)(F)F)NC[*:1]
[NH3+]CCCNC(=O)Cn1cc(Cl)c(C(F)(F)F)n1 [NH3+]CCC[*:1] O=C(Cn1cc(Cl)c(n1)C(F)(F)F)N[*:1]
[NH3+]CCCNC(=O)Cn1cc(Cl)c(C(F)(F)F)n1 FC(F)(F)[*:1] [NH3+]CCCNC(=O)Cn1cc(Cl)c(n1)[*:1]
CC(=O)N(Cc1ccc(NC(=O)N2CCCC[C@H]2CO)cc1)C(C)C CC(=O)N(C(C)C)[*:1] O=C(Nc1ccc(cc1)C[*:1])N1CCCC[C@H]1CO
CC(=O)N(Cc1ccc(NC(=O)N2CCCC[C@H]2CO)cc1)C(C)C CC(C)[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)N1CCCC[C@H]1CO)[*:1]
CC(=O)N(Cc1ccc(NC(=O)N2CCCC[C@H]2CO)cc1)C(C)C CC(=O)N(C[*:1])C(C)C O=C(Nc1ccc(cc1)[*:1])N1CCCC[C@H]1CO
Cc1ccc(SCC[NH2+]Cc2cscn2)cc1 c1nc(cs1)[*:1] Cc1ccc(cc1)SCC[NH2+]C[*:1]
CCOc1ccc([C@H](C)NCc2cc(=O)oc3c(C)c(O)ccc23)cc1 CCO[*:1] Cc1c(O)ccc2c(cc(=O)oc12)CN[C@@H](C)c1ccc(cc1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H]1CCC[C@@H](C2CC2)C1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H]1CCC[C@H](C1)C1CC1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H]1CCC[C@@H](C2CC2)C1 C1CC1[*:1] Cc1ccc(cc1NC(=O)N[C@@H]1CCC[C@@H](C1)[*:1])-c1ncco1
C[C@@H](SCc1ccccc1)/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 c1ccc(cc1)[*:1] C[C@@H](SC[*:1])/C([O-])=N/c1nc(n[nH]1)C(F)(F)F
C[C@@H](SCc1ccccc1)/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 FC(F)(F)[*:1] C[C@@H](SCc1ccccc1)/C([O-])=N/c1nc(n[nH]1)[*:1]
C[C@@H](SCc1ccccc1)/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 c1ccc(cc1)C[*:1] C[C@@H](S[*:1])/C([O-])=N/c1nc(n[nH]1)C(F)(F)F
O=C(NC1CCCC1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 C1CCC(C1)[*:1] O=C(N[C@H](c1ccccc1)c1nnc(o1)-c1ccccc1Cl)N[*:1]
O=C(NC1CCCC1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 c1ccc(cc1)[*:1] O=C(NC1CCCC1)N[C@H](c1nnc(o1)-c1ccccc1Cl)[*:1]
O=C(NC1CCCC1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 O=C(NC1CCCC1)N[*:1] Clc1ccccc1-c1nnc(o1)[C@@H](c1ccccc1)[*:1]
O=C(NC1CCCC1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 Clc1ccccc1[*:1] O=C(NC1CCCC1)N[C@H](c1ccccc1)c1nnc(o1)[*:1]
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2Cc2ccccc2)cc1 COC(=O)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1ccc(cc1)[*:1]
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1C(C(=O)c2ccc3O[C@@H](C)Cc3c2)=C([O-])C(=O)N1C[*:1]
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2Cc2ccccc2)cc1 COC(=O)c1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1[*:1]
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(cc1)[C@H]1C(C(=O)c2ccc3O[C@@H](C)Cc3c2)=C([O-])C(=O)N1[*:1]
CC(C)[NH2+]Cc1cnc([C@@H]2C[NH+]3CCN2CC3)[nH]1 CC(C)[NH2+]C[*:1] c1nc([nH]c1[*:1])[C@@H]1C[NH+]2CCN1CC2
CC(C)[NH2+]Cc1cnc([C@@H]2C[NH+]3CCN2CC3)[nH]1 CC(C)[NH2+][*:1] c1nc([nH]c1C[*:1])[C@@H]1C[NH+]2CCN1CC2
CC(C)[NH2+]Cc1cnc([C@@H]2C[NH+]3CCN2CC3)[nH]1 CC(C)[*:1] c1nc([nH]c1C[NH2+][*:1])[C@@H]1C[NH+]2CCN1CC2
Cc1cc(CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)no1 Cc1cc(C[*:1])no1 O=C(N[*:1])N(Cc1cc(F)ccc1F)C1CCCC1
Cc1cc(CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)no1 Fc1ccc(F)c(c1)[*:1] Cc1cc(CNC(=O)N(C[*:1])C2CCCC2)no1
Cc1cc(CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)no1 Cc1cc(no1)[*:1] O=C(NC[*:1])N(Cc1cc(F)ccc1F)C1CCCC1
Cc1cc(CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)no1 C1CCC(C1)[*:1] Cc1cc(CNC(=O)N(Cc2cc(F)ccc2F)[*:1])no1
NS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3F)cc21 Fc1ccccc1[*:1] NS(=O)(=O)N1CCc2ccc(cc21)NC(=O)[C@@H]1C[C@H]1[*:1]
CCOc1ccc([C@H](C)NC(=O)NCc2nnc3nc(C)cc(C)n23)cc1 CCO[*:1] Cc1cc(C)n2c(CNC(=O)N[C@@H](C)c3ccc(cc3)[*:1])nnc2n1
CCOc1ccc([C@H](C)NC(=O)NCc2nnc3nc(C)cc(C)n23)cc1 CCOc1ccc(cc1)[*:1] Cc1cc(C)n2c(CNC(=O)N[C@@H](C)[*:1])nnc2n1
Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)CCC3)ccc1OC(C)C c1cc2CCCc2cc1[*:1] Cc1cc(ccc1OC(C)C)NC(=O)C(=O)NC[*:1]
Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)CCC3)ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])NC(=O)C(=O)NCc1ccc2CCCc2c1
Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)CCC3)ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])NC(=O)C(=O)NCc1ccc2CCCc2c1
CCOc1nn(CN[C@H](c2cccs2)C(C)(C)C)c(=S)s1 CC(C)(C)[*:1] CCOc1nn(CN[C@H](c2cccs2)[*:1])c(=S)s1
CCOc1nn(CN[C@H](c2cccs2)C(C)(C)C)c(=S)s1 CCO[*:1] CC(C)(C)[C@H](NCn1nc(sc1=S)[*:1])c1cccs1
CCOc1nn(CN[C@H](c2cccs2)C(C)(C)C)c(=S)s1 c1csc(c1)[*:1] CCOc1nn(CN[C@H](C(C)(C)C)[*:1])c(=S)s1
Cc1c(N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])N[C@@H](C)C[C@@H]1CCCCC[NH2+]1
CCC/C=C/C=C/[C@@H]1C[C@@H](O)[C@H](O)[C@H](O)[C@@H]1CO CCC[*:1] OC[C@@H]1[C@H](/C=C/C=C[*:1])C[C@@H](O)[C@H](O)[C@@H]1O
CCC/C=C/C=C/[C@@H]1C[C@@H](O)[C@H](O)[C@H](O)[C@@H]1CO CCCC=C[*:1] OC[C@@H]1[C@H](C=C[*:1])C[C@@H](O)[C@H](O)[C@@H]1O
C[C@@H]1C[C@@H](C)CN(C(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)C1 CC(C)(C)NC(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CNc1cccc(c1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)C1 CC(C)(C)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CNc1cccc(c1)C(=O)N[*:1]
CC[C@@H](NC(=O)/C=C/c1cccc(Cl)c1)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)/C=C/c1cccc(Cl)c1)[*:1]
Cc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)o2)c(N(C)C)c1 NS(=O)(=O)[*:1] Cc1ccc(CNC(=O)c2ccc(o2)[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)o2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)c2ccc(o2)S(N)(=O)=O)c(c1)[*:1]
CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1 Ic1ccccc1[*:1] CCOc1ccc(/C=N/NC(=O)CNC(=O)[*:1])cc1
CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1 CCO[*:1] O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(cc1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CCc2nc(C3CCCC3)no2)C1 COC(=O)C(C)(C)[*:1] O=C(CCc1nc(no1)C1CCCC1)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CCc2nc(C3CCCC3)no2)C1 C1CCC(C1)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)CCc1nc(no1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CCc2nc(C3CCCC3)no2)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)C(=O)CCc1nc(no1)C1CCCC1)[*:1]
COc1ccccc1CC(=O)N1CCC(NC(=O)CC2CCC2)CC1 C1CC(C1)[*:1] COc1ccccc1CC(=O)N1CCC(CC1)NC(=O)C[*:1]
COc1ccccc1CC(=O)N1CCC(NC(=O)CC2CCC2)CC1 C1CC(C1)C[*:1] COc1ccccc1CC(=O)N1CCC(CC1)NC(=O)[*:1]
COc1ccccc1CC(=O)N1CCC(NC(=O)CC2CCC2)CC1 COc1ccccc1[*:1] O=C(CC1CCC1)NC1CCN(CC1)C(=O)C[*:1]
COc1ccccc1CC(=O)N1CCC(NC(=O)CC2CCC2)CC1 O=C(CC1CCC1)N[*:1] COc1ccccc1CC(=O)N1CCC(CC1)[*:1]
C[NH2+]Cc1sc(N(C)CCc2ccccc2)nc1C(C)C c1ccc(cc1)C[*:1] C[NH2+]Cc1sc(nc1C(C)C)N(C)C[*:1]
C[NH2+]Cc1sc(N(C)CCc2ccccc2)nc1C(C)C CC(C)[*:1] C[NH2+]Cc1sc(nc1[*:1])N(C)CCc1ccccc1
C[NH2+]Cc1sc(N(C)CCc2ccccc2)nc1C(C)C c1ccc(cc1)[*:1] C[NH2+]Cc1sc(nc1C(C)C)N(C)CC[*:1]
FC(F)n1ccnc1CSCc1coc(-c2cccs2)n1 FC(F)[*:1] c1csc(c1)-c1nc(co1)CSCc1nccn1[*:1]
FC(F)n1ccnc1CSCc1coc(-c2cccs2)n1 c1csc(c1)[*:1] FC(F)n1ccnc1CSCc1coc(n1)[*:1]
CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1Br CCO[*:1] NC(=O)c1c(NC(=O)c2ccc(c(Br)c2)[*:1])sc2CCCCCc21
CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1Br NC(=O)[*:1] CCOc1ccc(cc1Br)C(=O)Nc1sc2CCCCCc2c1[*:1]
O=C(COc1ccc(-c2nnco2)cc1)NC(=O)NCCC1=CCCCC1 c1nnc(o1)[*:1] O=C(COc1ccc(cc1)[*:1])NC(=O)NCCC1=CCCCC1
C[C@H]1CCCCN1C(=O)CNc1cccc(-c2nnnn2C)c1 Cn1nnnc1[*:1] C[C@H]1CCCCN1C(=O)CNc1cccc(c1)[*:1]
Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)oc2ccccc12 NC(=O)[*:1] Cc1c(oc2ccccc12)C(=O)Nc1sc2CCCCc2c1[*:1]
CCC[C@H]1CCCN(C(=O)c2c(F)ccc(N)c2F)CC1 CCC[*:1] Nc1ccc(F)c(C(=O)N2CCC[C@@H](CC2)[*:1])c1F
CCO[C@@H]1C[C@H]1C(=O)NCc1ccnc(OC2CCCC2)c1 CCO[*:1] O=C(NCc1ccnc(c1)OC1CCCC1)[C@@H]1C[C@H]1[*:1]
CCO[C@@H]1C[C@H]1C(=O)NCc1ccnc(OC2CCCC2)c1 C1CCC(C1)[*:1] CCO[C@@H]1C[C@H]1C(=O)NCc1ccnc(c1)O[*:1]
CCO[C@@H]1C[C@H]1C(=O)NCc1ccnc(OC2CCCC2)c1 C1CCC(C1)O[*:1] CCO[C@@H]1C[C@H]1C(=O)NCc1ccnc(c1)[*:1]
Cc1sc(C(=O)NC[C@H](O)c2ccccc2F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1sc(cc1[*:1])C(=O)NC[C@H](O)c1ccccc1F
Cc1sc(C(=O)NC[C@H](O)c2ccccc2F)cc1[N+](=O)[O-] Fc1ccccc1[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)NC[C@H](O)[*:1]
COCC[NH2+]C[C@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 COCC[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[C@@H](O)C[NH2+][*:1]
COCC[NH2+]C[C@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 COC[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[C@@H](O)C[NH2+]C[*:1]
COCC[NH2+]C[C@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] COCC[NH2+]C[C@H](O)[C@@H]1CCC[C@H](C1)[*:1]
CNC(=O)CCOc1ccc(NC(=O)NC(C)(C)c2cccc(C)c2)cc1 CNC(=O)CCO[*:1] Cc1cccc(c1)C(C)(C)NC(=O)Nc1ccc(cc1)[*:1]
CNC(=O)CCOc1ccc(NC(=O)NC(C)(C)c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CNC(=O)CCOc1ccc(cc1)NC(=O)NC(C)(C)[*:1]
CNC(=O)CCOc1ccc(NC(=O)NC(C)(C)c2cccc(C)c2)cc1 CNC(=O)CC[*:1] Cc1cccc(c1)C(C)(C)NC(=O)Nc1ccc(cc1)O[*:1]
CNC(=O)CCOc1ccc(NC(=O)NC(C)(C)c2cccc(C)c2)cc1 CNC(=O)C[*:1] Cc1cccc(c1)C(C)(C)NC(=O)Nc1ccc(cc1)OC[*:1]
CNC(=O)CCOc1ccc(NC(=O)NC(C)(C)c2cccc(C)c2)cc1 CNC(=O)[*:1] Cc1cccc(c1)C(C)(C)NC(=O)Nc1ccc(cc1)OCC[*:1]
CCc1ccc(-c2nc(C)c(C(=O)NC3(C(N)=O)CCCC3)s2)cc1 NC(=O)C1(CCCC1)[*:1] CCc1ccc(cc1)-c1nc(C)c(s1)C(=O)N[*:1]
CCc1ccc(-c2nc(C)c(C(=O)NC3(C(N)=O)CCCC3)s2)cc1 CCc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NC1(CCCC1)C(N)=O)[*:1]
CCc1ccc(-c2nc(C)c(C(=O)NC3(C(N)=O)CCCC3)s2)cc1 NC(=O)[*:1] CCc1ccc(cc1)-c1nc(C)c(s1)C(=O)NC1(CCCC1)[*:1]
CN(Cc1ccsc1)C(=O)CCc1nnc(-c2ccccc2)o1 c1cc(cs1)C[*:1] CN(C(=O)CCc1nnc(o1)-c1ccccc1)[*:1]
CN(Cc1ccsc1)C(=O)CCc1nnc(-c2ccccc2)o1 c1cc(cs1)[*:1] CN(C[*:1])C(=O)CCc1nnc(o1)-c1ccccc1
CN(Cc1ccsc1)C(=O)CCc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] CN(Cc1ccsc1)C(=O)CCc1nnc(o1)[*:1]
CCNC(=S)N/N=c1/nc(N2CCOCC2)nc(N2CCOCC2)[nH]1 C1CN(CCO1)[*:1] CCNC(=S)N/N=c1/nc(nc([nH]1)N1CCOCC1)[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1ccc(C)s1 Cc1ccc(C[*:1])s1 CC(=O)N/C(=C\c1ccccc1)C(=O)N[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1ccc(C)s1 Cc1ccc(s1)[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)NC[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1ccc(C)s1 c1ccc(cc1)[*:1] CC(=O)NC(=C[*:1])C(=O)NCc1ccc(C)s1
CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1ccc(C)s1 CC(=O)N[*:1] Cc1ccc(CNC(=O)C(=Cc2ccccc2)[*:1])s1
Cc1ccccc1[C@H]1CN(C[C@H](O)COCc2ccccc2)[C@H](C)CO1 c1ccc(cc1)CO[*:1] Cc1ccccc1[C@H]1CN(C[C@H](O)C[*:1])[C@H](C)CO1
Cc1ccccc1[C@H]1CN(C[C@H](O)COCc2ccccc2)[C@H](C)CO1 c1ccc(cc1)C[*:1] Cc1ccccc1[C@H]1CN(C[C@H](O)CO[*:1])[C@H](C)CO1
Cc1ccccc1[C@H]1CN(C[C@H](O)COCc2ccccc2)[C@H](C)CO1 c1ccc(cc1)[*:1] Cc1ccccc1[C@H]1CN(C[C@H](O)COC[*:1])[C@H](C)CO1
Cc1ccccc1[C@H]1CN(C[C@H](O)COCc2ccccc2)[C@H](C)CO1 Cc1ccccc1[*:1] C[C@@H]1CO[C@H](CN1C[C@H](O)COCc1ccccc1)[*:1]
Cn1cc[nH+]c1[C@@H](O)C1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 Clc1cc(Cl)cc(c1)[*:1] Cn1cc[nH+]c1[C@@H](O)C1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2cccs2)c1 c1csc(c1)[*:1] CC(C)C(=O)Nc1cccc(c1)NC(=O)C=C[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2cccs2)c1 CC(C)C(=O)N[*:1] O=C(/C=C/c1cccs1)Nc1cccc(c1)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2cccs2)c1 CC(C)[*:1] O=C(/C=C/c1cccs1)Nc1cccc(c1)NC(=O)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2cccs2)c1 C(=C[*:1])c1cccs1 CC(C)C(=O)Nc1cccc(c1)NC(=O)[*:1]
CC(C)c1ccc(C(=O)NC[C@H]2CC[C@@H](C(=O)[O-])O2)cc1 CC(C)[*:1] O=C(NC[C@H]1CC[C@H](O1)C(=O)[O-])c1ccc(cc1)[*:1]
CC(C)c1ccc(C(=O)NC[C@H]2CC[C@@H](C(=O)[O-])O2)cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](O1)[*:1]
Cc1ccc(C)c(N2C(=O)S[C@@H](CC(=O)NCC(=O)[O-])C2=O)c1 O=C([O-])C[*:1] Cc1ccc(C)c(c1)N1C(=O)S[C@@H](CC(=O)N[*:1])C1=O
Cc1ccc(C)c(N2C(=O)S[C@@H](CC(=O)NCC(=O)[O-])C2=O)c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)N1C(=O)S[C@@H](CC(=O)NC[*:1])C1=O
Cc1ccc(C)c(N2C(=O)S[C@@H](CC(=O)NCC(=O)[O-])C2=O)c1 O=C([O-])CNC(=O)[*:1] Cc1ccc(C)c(c1)N1C(=O)S[C@@H](C[*:1])C1=O
CCCNC(=S)NNC(=O)c1ccc2ccc(Cl)cc2n1 CCC[*:1] O=C(NNC(=S)N[*:1])c1ccc2ccc(Cl)cc2n1
COc1ccc([C@H]2CCN(C(=O)N[C@@H](c3nccs3)C3CC3)C2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H]1CCN(C1)C(=O)N[C@@H](c1nccs1)[*:1]
COc1ccc([C@H]2CCN(C(=O)N[C@@H](c3nccs3)C3CC3)C2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H](c1nccs1)C1CC1)N1CC[C@@H](C1)[*:1]
COc1ccc([C@H]2CCN(C(=O)N[C@@H](c3nccs3)C3CC3)C2)cc1 c1csc(n1)[*:1] COc1ccc(cc1)[C@H]1CCN(C1)C(=O)N[C@@H](C1CC1)[*:1]
COc1cc(CN2CCNC(=O)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1O c1ccc(cc1)[*:1] COc1cc(cc(c1O)[N+](=O)[O-])CN1CCNC(=O)C[C@H]1[*:1]
COc1cc(CN2CCNC(=O)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(cc(c1O)[*:1])CN1CCNC(=O)C[C@@H]1c1ccccc1
CCC[C@H](C[NH3+])C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] CCC[C@H](C[NH3+])C(=O)N(C)[C@@H](C)C[*:1]
CCC[C@H](C[NH3+])C(=O)N(C)[C@@H](C)Cc1cccs1 CCC[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](C[NH3+])[*:1]
CCC[C@H](C[NH3+])C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] CCC[C@H](C[NH3+])C(=O)N(C)[C@@H](C)[*:1]
COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)c3ccccc3C(=O)N2C)cc1 COc1ccc(cc1OC)[*:1] COc1ccc(cc1)[C@H]1[C@@H](C(=O)N[*:1])c2ccccc2C(=O)N1C
COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)c3ccccc3C(=O)N2C)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1[*:1]
C[C@@H]1Sc2ccc(S(=O)(=O)[C@H](C)CC(=O)N[C@@H]3CCCC[C@H]3C)cc2NC1=O C[C@@H]1CCCC[C@H]1[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)[C@H](C)CC(=O)N[*:1]
C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1nccs1 O=C1CCCN1C[*:1] C[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1nccs1
C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1nccs1 O=C1CCCN1[*:1] C[C@@H]([NH2+]Cc1cccc(c1)C[*:1])c1nccs1
C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1nccs1 c1csc(n1)[*:1] C[C@@H]([NH2+]Cc1cccc(c1)CN1CCCC1=O)[*:1]
CC[C@@H](CCCl)C[NH2+]C[C@H]1Cc2ccccc21 ClCC[*:1] CC[C@@H](C[NH2+]C[C@H]1Cc2ccccc21)[*:1]
CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 CNC(=O)[*:1] COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
CN(C)C(=O)c1ccc([C@H]2CCCN2C(=O)CCc2ccccn2)s1 c1ccc(nc1)[*:1] CN(C)C(=O)c1ccc(s1)[C@H]1CCCN1C(=O)CC[*:1]
CN(C)C(=O)c1ccc([C@H]2CCCN2C(=O)CCc2ccccn2)s1 c1ccc(C[*:1])nc1 CN(C)C(=O)c1ccc(s1)[C@H]1CCCN1C(=O)C[*:1]
CN(C)C(=O)c1ccc([C@H]2CCCN2C(=O)CCc2ccccn2)s1 c1ccc(CC[*:1])nc1 CN(C)C(=O)c1ccc(s1)[C@H]1CCCN1C(=O)[*:1]
CN(C)C(=O)c1ccc([C@H]2CCCN2C(=O)CCc2ccccn2)s1 CN(C)C(=O)[*:1] O=C(CCc1ccccn1)N1CCC[C@@H]1c1ccc(s1)[*:1]
COCCCC(=O)N1CCC[C@]1(C)C(=O)[O-] COCCC[*:1] C[C@@]1(CCCN1C(=O)[*:1])C(=O)[O-]
COCCCC(=O)N1CCC[C@]1(C)C(=O)[O-] COC[*:1] C[C@@]1(CCCN1C(=O)CC[*:1])C(=O)[O-]
COCCCC(=O)N1CCC[C@]1(C)C(=O)[O-] COCC[*:1] C[C@@]1(CCCN1C(=O)C[*:1])C(=O)[O-]
COCCCC(=O)N1CCC[C@]1(C)C(=O)[O-] O=C([O-])[*:1] COCCCC(=O)N1CCC[C@@]1(C)[*:1]
COC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)cs2)c2ccccc21 N#Cc1csc(c1)[*:1] COC(=O)[C@@H]1CCN(C(=O)[*:1])c2ccccc21
COC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)cs2)c2ccccc21 COC(=O)[*:1] N#Cc1csc(c1)C(=O)N1CC[C@H](c2ccccc21)[*:1]
CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2F)c1 CCCC(=O)N[*:1] O=C(NC(=S)Nc1cccc(c1)[*:1])c1ccccc1F
CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2F)c1 CCC[*:1] O=C(NC(=S)Nc1cccc(c1)NC(=O)[*:1])c1ccccc1F
CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] CCCC(=O)Nc1cccc(c1)NC(=S)NC(=O)[*:1]
C[C@H]1CCC[C@H](N(C)C(=O)CCCN2C(=O)CNC2=O)C1 O=C1CNC(=O)N1[*:1] C[C@H]1CCC[C@@H](C1)N(C)C(=O)CCC[*:1]
COc1ccccc1CC(=O)NNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 COc1ccccc1C[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C[C@@H](C)NC(=O)NNC(=O)[*:1]
COc1ccccc1CC(=O)NNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 COc1ccccc1[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C[C@@H](C)NC(=O)NNC(=O)C[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CSc1nnnn1C1CC1 CC(C)[*:1] C[C@@](C#N)(NC(=O)CSc1nnnn1C1CC1)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CSc1nnnn1C1CC1 C1CC1[*:1] CC(C)[C@@](C)(C#N)NC(=O)CSc1nnnn1[*:1]
CC(C)[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 O=[N+]([O-])[*:1] CC(C)[C@@H](C(=O)N1CCc2ccc(cc2C1)[*:1])[NH+]1CCCCC1
CC(C)[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCCCC1 CC(C)[*:1] O=C([C@@H]([NH+]1CCCCC1)[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
CC(C)c1ccc(OCC(=O)NNC(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)OCC(=O)NNC(=O)N[*:1]
CC(C)c1ccc(OCC(=O)NNC(=O)Nc2ccc(F)cc2)cc1 CC(C)[*:1] O=C(COc1ccc(cc1)[*:1])NNC(=O)Nc1ccc(F)cc1
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(CC)cc1 CCOC(=O)[*:1] CCc1ccc(cc1)[C@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(CC)cc1 CCc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)NC2CCCC(=O)C=2[C@H]1[*:1]
COc1ccc(-c2noc(CSc3nc4[nH]ncc4c(=O)n3-c3ccc(F)c(F)c3)n2)cc1OC Fc1ccc(cc1F)[*:1] COc1ccc(cc1OC)-c1noc(CSc2nc3[nH]ncc3c(=O)n2[*:1])n1
COc1ccc(-c2noc(CSc3nc4[nH]ncc4c(=O)n3-c3ccc(F)c(F)c3)n2)cc1OC COc1ccc(cc1OC)[*:1] O=c1c2cn[nH]c2nc(SCc2nc(no2)[*:1])n1-c1ccc(F)c(F)c1
Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccnc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccnc(c1)[*:1]
Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccnc(Oc2ccccc2)c1 Fc1ccc(cc1)[*:1] Cc1onc(c1C(=O)NCc1ccnc(c1)Oc1ccccc1)[*:1]
Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccnc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccnc(c1)O[*:1]
CC(C)CCOC(=O)[C@H](C)S[C@H]1N=NC(=O)NC1=O CC(C)CC[*:1] C[C@H](S[C@H]1N=NC(=O)NC1=O)C(=O)O[*:1]
CC(C)CCOC(=O)[C@H](C)S[C@H]1N=NC(=O)NC1=O CC(C)[*:1] C[C@H](S[C@H]1N=NC(=O)NC1=O)C(=O)OCC[*:1]
CC(C)CCOC(=O)[C@H](C)S[C@H]1N=NC(=O)NC1=O CC(C)C[*:1] C[C@H](S[C@H]1N=NC(=O)NC1=O)C(=O)OC[*:1]
Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCCO)CC2 OCCO[*:1] Cc1ccc2CC[C@H]([NH2+]Cc3ccccc3[*:1])c2c1
Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCCO)CC2 OCC[*:1] Cc1ccc2CC[C@H]([NH2+]Cc3ccccc3O[*:1])c2c1
Cc1cc2c(Oc3cccc(C(F)(F)F)c3)ncnc2s1 FC(F)(F)[*:1] Cc1cc2c(ncnc2s1)Oc1cccc(c1)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1 CCS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCc2cc(F)ccc2C1
CN(Cc1ccccc1)c1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 CN(Cc1ccccc1)[*:1] O=C(Nc1ccccc1[*:1])N1CC[C@H](C1)[NH+]1CCCC1
CN(Cc1ccccc1)c1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 c1ccc(cc1)C[*:1] CN(c1ccccc1NC(=O)N1CC[C@H](C1)[NH+]1CCCC1)[*:1]
CN(Cc1ccccc1)c1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 c1ccc(cc1)[*:1] CN(C[*:1])c1ccccc1NC(=O)N1CC[C@H](C1)[NH+]1CCCC1
Cc1ccnc(N2CCC3=NN=C(c4ccccc4Cl)[C@H]3C2)n1 Clc1ccccc1[*:1] Cc1ccnc(n1)N1CCC2=NN=C([C@H]2C1)[*:1]
Cc1ccnc(N2CCC3=NN=C(c4ccccc4Cl)[C@H]3C2)n1 Cc1ccnc(n1)[*:1] Clc1ccccc1C1=NN=C2CCN(C[C@@H]21)[*:1]
CC(C)(C(=O)Nc1cccnc1)c1ccc2c(c1)OCCO2 c1cncc(c1)[*:1] CC(C)(C(=O)N[*:1])c1ccc2OCCOc2c1
O=C(Nc1cccnn1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 c1cnnc(c1)[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
CC(C)C(=O)Nc1cccc(Br)c1 CC(C)[*:1] O=C(Nc1cccc(Br)c1)[*:1]
Cc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NC1CC1)[C@@H](Sc1nnnn1[*:1])c1ccccc1
Cc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)-n1nnnc1S[C@H](C(=O)NC1CC1)[*:1]
Cc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 C1CC1[*:1] Cc1ccc(c(C)c1)-n1nnnc1S[C@H](C(=O)N[*:1])c1ccccc1
Cc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 O=C(NC1CC1)[*:1] Cc1ccc(c(C)c1)-n1nnnc1S[C@H](c1ccccc1)[*:1]
C[C@H]1CCCN(c2nnc(S[C@@H](C)C(=O)N3CCNC3=O)n2Cc2ccco2)C1 O=C1NCCN1C(=O)[*:1] C[C@H]1CCCN(C1)c1nnc(S[C@@H](C)[*:1])n1Cc1ccco1
C[C@H]1CCCN(c2nnc(S[C@@H](C)C(=O)N3CCNC3=O)n2Cc2ccco2)C1 C[C@H]1CCCN(C1)[*:1] C[C@H](Sc1nnc(n1Cc1ccco1)[*:1])C(=O)N1CCNC1=O
C[C@H]1CCCN(c2nnc(S[C@@H](C)C(=O)N3CCNC3=O)n2Cc2ccco2)C1 c1coc(c1)[*:1] C[C@H]1CCCN(C1)c1nnc(S[C@@H](C)C(=O)N2CCNC2=O)n1C[*:1]
C[C@H]1CCCN(c2nnc(S[C@@H](C)C(=O)N3CCNC3=O)n2Cc2ccco2)C1 c1coc(c1)C[*:1] C[C@H]1CCCN(C1)c1nnc(S[C@@H](C)C(=O)N2CCNC2=O)n1[*:1]
Cc1cc(NC(=O)[C@H](C)Sc2ccc(Cl)c(Cl)c2)no1 Cc1cc(no1)[*:1] C[C@H](Sc1ccc(Cl)c(Cl)c1)C(=O)N[*:1]
Cn1c(CCC(N)=O)nnc1S[C@@H]1CCCc2ccccc21 NC(=O)C[*:1] Cn1c(C[*:1])nnc1S[C@@H]1CCCc2ccccc21
Cn1c(CCC(N)=O)nnc1S[C@@H]1CCCc2ccccc21 NC(=O)[*:1] Cn1c(CC[*:1])nnc1S[C@@H]1CCCc2ccccc21
Cn1c(CCC(N)=O)nnc1S[C@@H]1CCCc2ccccc21 NC(=O)CC[*:1] Cn1c(nnc1[*:1])S[C@@H]1CCCc2ccccc21
Cc1ccc(CNC(=O)c2cc(COc3c(F)cccc3F)on2)cc1F Fc1cccc(F)c1[*:1] Cc1ccc(cc1F)CNC(=O)c1cc(CO[*:1])on1
Cc1ccc(CNC(=O)c2cc(COc3c(F)cccc3F)on2)cc1F Fc1cccc(F)c1O[*:1] Cc1ccc(cc1F)CNC(=O)c1cc(C[*:1])on1
Cc1ccc(CNC(=O)c2cc(COc3c(F)cccc3F)on2)cc1F Cc1ccc(cc1F)C[*:1] O=C(N[*:1])c1cc(COc2c(F)cccc2F)on1
Cc1ccc(CNC(=O)c2cc(COc3c(F)cccc3F)on2)cc1F Cc1ccc(cc1F)[*:1] O=C(NC[*:1])c1cc(COc2c(F)cccc2F)on1
CCc1ccc(CN(C(=O)c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 Clc1ccccc1[*:1] CCc1ccc(cc1)CN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
CCc1ccc(CN(C(=O)c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)[*:1] O=C(c1ccccc1Cl)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cscc1C(=O)c1cc2[nH]c(=O)[nH]c2cc1Br Cc1cscc1[*:1] O=C(c1cc2[nH]c(=O)[nH]c2cc1Br)[*:1]
O=C([O-])c1cc(O)cc(-c2cc(O)ccc2Cl)c1 O=C([O-])[*:1] Oc1cc(cc(c1)[*:1])-c1cc(O)ccc1Cl
C[C@@H](NC(=O)c1csc(-c2cccs2)n1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)c1csc(n1)-c1cccs1)[*:1]
C[C@@H](NC(=O)c1csc(-c2cccs2)n1)[C@H]1CCCO1 c1csc(c1)[*:1] C[C@@H](NC(=O)c1csc(n1)[*:1])[C@H]1CCCO1
Cc1ccsc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] Cc1ccsc1C[NH2+][C@@H]1CCC[C@H](C1)[*:1]
Cc1ccsc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 Cc1ccsc1[*:1] FC(F)(F)[C@H]1CCC[C@H](C1)[NH2+]C[*:1]
CCC1(CC)[C@@H](NC(=O)C[C@@H]2CCCO2)[C@@H](C)[C@@H]1OC C1CO[C@@H](C1)C[*:1] CCC1(CC)[C@@H](NC(=O)[*:1])[C@@H](C)[C@@H]1OC
CCC1(CC)[C@@H](NC(=O)C[C@@H]2CCCO2)[C@@H](C)[C@@H]1OC C1CO[C@@H](C1)[*:1] CCC1(CC)[C@@H](NC(=O)C[*:1])[C@@H](C)[C@@H]1OC
Cc1cnn(CCCNC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 Fc1ccccc1[*:1] Cc1cnn(c1)CCCNC(=O)N[C@@H]1CCCN(C1=O)[*:1]
Cc1cnn(CCCNC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 Cc1cnn(c1)[*:1] O=C(NCCC[*:1])N[C@@H]1CCCN(C1=O)c1ccccc1F
Cc1cnn(CCCNC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 Cc1cnn(c1)CC[*:1] O=C(NC[*:1])N[C@@H]1CCCN(C1=O)c1ccccc1F
Cc1cnn(CCCNC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 Cc1cnn(c1)C[*:1] O=C(NCC[*:1])N[C@@H]1CCCN(C1=O)c1ccccc1F
Cc1cnn(CCCNC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 Cc1cnn(c1)CCC[*:1] O=C(N[C@@H]1CCCN(C1=O)c1ccccc1F)N[*:1]
C=C(C)CNC(=O)c1coc(COc2ccc(C)cc2OC)n1 C=C(C)C[*:1] COc1cc(C)ccc1OCc1nc(co1)C(=O)N[*:1]
C=C(C)CNC(=O)c1coc(COc2ccc(C)cc2OC)n1 C=C(C)[*:1] COc1cc(C)ccc1OCc1nc(co1)C(=O)NC[*:1]
C=C(C)CNC(=O)c1coc(COc2ccc(C)cc2OC)n1 C=C(C)CNC(=O)[*:1] COc1cc(C)ccc1OCc1nc(co1)[*:1]
O[C@H](CN[C@@H]1CCOc2cc3c(cc21)OCO3)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O[C@H](CN[C@@H]1CCOc2cc3OCOc3cc21)[*:1]
O=C1SCCN1CN1CCO[C@@H](c2ccc(Br)cc2)C1 O=C1SCCN1[*:1] Brc1ccc(cc1)[C@H]1CN(CCO1)C[*:1]
Cc1nonc1N1CCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)CC1 c1csc(c1)[*:1] Cc1nonc1N1CCN(CC1)C(=O)C[C@@]1(CC(=O)N(C[*:1])C1=O)c1ccccc1
Cc1nonc1N1CCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)CC1 c1ccc(cc1)[*:1] Cc1nonc1N1CCN(CC1)C(=O)C[C@@]1(CC(=O)N(Cc2cccs2)C1=O)[*:1]
Cc1nonc1N1CCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)CC1 c1csc(c1)C[*:1] Cc1nonc1N1CCN(CC1)C(=O)C[C@@]1(CC(=O)N(C1=O)[*:1])c1ccccc1
Cc1nonc1N1CCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccs3)C2=O)CC1 Cc1nonc1[*:1] O=C(C[C@@]1(CC(=O)N(Cc2cccs2)C1=O)c1ccccc1)N1CCN(CC1)[*:1]
Cn1c(=O)c2c(nc(N/N=C/c3ccccc3)n2C)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(NN=C[*:1])n2C)n(C)c1=O
O=C(N1CCN(Cc2nnnn2-c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 c1ccc(cc1)[*:1] O=C(N1CCN(CC1)Cc1nnnn1[*:1])C12CC3CC(CC(C3)C1)C2
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1C Cc1cccc(c1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c(c2)S(=O)(=O)N[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1C CC(=O)c1c(C)[nH]c(c1C)[*:1] Cc1cccc(c1)NS(=O)(=O)c1cc(ccc1C)NC(=O)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1C CC(=O)[*:1] Cc1cccc(c1)NS(=O)(=O)c1cc(ccc1C)NC(=O)c1[nH]c(C)c(c1C)[*:1]
COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1 COC(=O)[*:1] Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(cc2)[*:1])c(C)c1
COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1 Cc1ccc(c(C)c1)[*:1] COC(=O)c1ccc(/C=C(/C#N)C(=O)N[*:1])cc1
CC[C@H](C)OCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 CC[C@H](C)OC[*:1] Cc1nc(no1)[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
CC[C@H](C)OCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@H](C)OCC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CC[C@H](C)OCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 CC[C@H](C)O[*:1] Cc1nc(no1)[C@H](NC(=O)C[*:1])c1ccc(Cl)cc1
CC[C@H](C)OCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 Clc1ccc(cc1)[*:1] CC[C@H](C)OCC(=O)N[C@H](c1noc(C)n1)[*:1]
CC[C@H](C)OCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 CC[C@H](C)[*:1] Cc1nc(no1)[C@H](NC(=O)CO[*:1])c1ccc(Cl)cc1
C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccccc1N(C)C c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)Nc1ccccc1N(C)C
C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccccc1N(C)C CN(C)[*:1] C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccccc1[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccccc1N(C)C c1csc(c1)C[*:1] C[C@H](N(C)C(=O)Nc1ccccc1N(C)C)[*:1]
CCOC(=O)C1CC[NH+](CC(=O)Nc2cc(C)ccc2C)CC1 CCOC(=O)[*:1] Cc1ccc(C)c(c1)NC(=O)C[NH+]1CCC(CC1)[*:1]
Cc1ccc([C@H](C)NC(=O)CCl)cc1C O=C(CCl)N[*:1] Cc1ccc(cc1C)[C@H](C)[*:1]
CCCc1cc(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)n(C)n1 Cc1cccc(c1)[*:1] CCCc1cc(NC(=O)C(=O)N2CCN(CC2)[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)n(C)n1 CCCc1cc(n(C)n1)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)C(=O)N[*:1]
CCCc1cc(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)n(C)n1 CCC[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)C(=O)Nc1cc(nn1C)[*:1]
CC(C)(C)NC(=O)Cn1nc(C(=O)Nc2ccccc2)ccc1=O CC(C)(C)NC(=O)C[*:1] O=C(Nc1ccccc1)c1ccc(=O)n(n1)[*:1]
CC(C)(C)NC(=O)Cn1nc(C(=O)Nc2ccccc2)ccc1=O c1ccc(cc1)[*:1] CC(C)(C)NC(=O)Cn1nc(ccc1=O)C(=O)N[*:1]
CC(C)(C)NC(=O)Cn1nc(C(=O)Nc2ccccc2)ccc1=O CC(C)(C)[*:1] O=C(Cn1nc(ccc1=O)C(=O)Nc1ccccc1)N[*:1]
CC(C)(C)NC(=O)Cn1nc(C(=O)Nc2ccccc2)ccc1=O CC(C)(C)NC(=O)[*:1] O=C(Nc1ccccc1)c1ccc(=O)n(C[*:1])n1
CC[C@@H](C)CN(CC)C(=O)c1cncc(C#CCCO)c1 OCCC#C[*:1] CC[C@@H](C)CN(CC)C(=O)c1cncc(c1)[*:1]
CC[C@@H](C)CN(CC)C(=O)c1cncc(C#CCCO)c1 OCC[*:1] CC[C@@H](C)CN(CC)C(=O)c1cncc(C#C[*:1])c1
CC[C@@H](C)CN(CC)C(=O)c1cncc(C#CCCO)c1 CC[C@@H](C)C[*:1] CCN(C(=O)c1cncc(C#CCCO)c1)[*:1]
CC[C@@H](C)CN(CC)C(=O)c1cncc(C#CCCO)c1 CC[C@@H](C)[*:1] CCN(C[*:1])C(=O)c1cncc(C#CCCO)c1
C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC1(O)CCSCC1 OC1(CCSCC1)[*:1] C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC1(O)CCSCC1 Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)NCC1(O)CCSCC1
NC(=O)Cn1cc(C(=O)O[C@H]2CCC[C@@H](C(F)(F)F)C2)nn1 NC(=O)[*:1] O=C(O[C@H]1CCC[C@H](C1)C(F)(F)F)c1cn(C[*:1])nn1
NC(=O)Cn1cc(C(=O)O[C@H]2CCC[C@@H](C(F)(F)F)C2)nn1 NC(=O)C[*:1] O=C(O[C@H]1CCC[C@H](C1)C(F)(F)F)c1cn(nn1)[*:1]
NC(=O)Cn1cc(C(=O)O[C@H]2CCC[C@@H](C(F)(F)F)C2)nn1 FC(F)(F)[*:1] NC(=O)Cn1cc(nn1)C(=O)O[C@H]1CCC[C@@H](C1)[*:1]
N#Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1N N#Cc1ccccc1C[*:1] Nn1c(Cc2cccc3ccccc23)nnc1S[*:1]
N#Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1N N#Cc1ccccc1[*:1] Nn1c(Cc2cccc3ccccc23)nnc1SC[*:1]
CCCOc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1Br CC(C)(C)[*:1] CCCOc1cc(N[*:1])c(cc1Br)[N+](=O)[O-]
CCCOc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1Br CCC[*:1] CC(C)(C)Nc1cc(O[*:1])c(Br)cc1[N+](=O)[O-]
CCCOc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1Br CCCO[*:1] CC(C)(C)Nc1cc(c(Br)cc1[N+](=O)[O-])[*:1]
CCCOc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1Br CC(C)(C)N[*:1] CCCOc1cc(c(cc1Br)[N+](=O)[O-])[*:1]
CCCOc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] CCCOc1cc(NC(C)(C)C)c(cc1Br)[*:1]
O=C(c1ccn2cncc2c1)N1CC[C@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(c1ccn2cncc2c1)N1CC[C@@H](C1)O[*:1]
O=C(c1ccn2cncc2c1)N1CC[C@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)O[*:1] O=C(c1ccn2cncc2c1)N1CC[C@H](C1)[*:1]
CCC(CC)(NC(=O)NC[C@@H]1CCCOC1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)NC[C@@H]1CCCOC1)[*:1]
CCC(CC)(NC(=O)NC[C@@H]1CCCOC1)C(=O)[O-] C1COC[C@@H](C1)[*:1] CCC(CC)(NC(=O)NC[*:1])C(=O)[O-]
C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCCCC2)C1=O Fc1ccc(cc1F)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCCCC2)C1=O)[*:1]
C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCCCC2)C1=O O=C(N1CCCCC1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)c(F)c1
Cc1cc(=O)c(C(=O)NCC#Cc2ccccc2)nn1-c1ccccc1F C(#Cc1ccccc1)C[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)N[*:1]
Cc1cc(=O)c(C(=O)NCC#Cc2ccccc2)nn1-c1ccccc1F Fc1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)NCC#Cc1ccccc1
Cc1cc(=O)c(C(=O)NCC#Cc2ccccc2)nn1-c1ccccc1F c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)NCC#C[*:1]
Cc1cc(=O)c(C(=O)NCC#Cc2ccccc2)nn1-c1ccccc1F C(#C[*:1])c1ccccc1 Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)NC[*:1]
C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(N)cc1 Clc1ccc(s1)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1ccc(N)cc1
O=C(Cn1nnc2ccccc21)NCCN1C(=O)CSC1=O O=C1CSC(=O)N1[*:1] O=C(Cn1nnc2ccccc21)NCC[*:1]
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CCOc1ccc(cc1)N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1[*:1]
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 CCO[*:1] O=C(C1=C([O-])C(=O)N(c2ccc(cc2)[*:1])[C@@H]1c1cccc(c1)[N+](=O)[O-])c1ccccc1
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 CCOc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1cccc(c1)[N+](=O)[O-])[*:1])c1ccccc1
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccc(c1)[N+](=O)[O-]
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@H]1c1cccc(c1)[*:1]
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 O=C(c1ccccc1)[*:1] CCOc1ccc(cc1)N1C(=O)C([O-])=C([C@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1c(C(=O)[O-])c[nH]c(=O)c1C(=O)[O-] O=C([O-])[*:1] Cc1c(c[nH]c(=O)c1[*:1])C(=O)[O-]
Cc1c(C(=O)[O-])c[nH]c(=O)c1C(=O)[O-] O=C([O-])[*:1] Cc1c(c[nH]c(=O)c1C(=O)[O-])[*:1]
CC(C)[C@H](O)CCNC(=O)NCc1cccc([N+]2=CCCC2)c1 CC(C)[C@H](O)C[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)NC[*:1]
CC(C)[C@H](O)CCNC(=O)NCc1cccc([N+]2=CCCC2)c1 CC(C)[*:1] O=C(NCC[C@@H](O)[*:1])NCc1cccc(c1)[N+]1=CCCC1
CC(C)[C@H](O)CCNC(=O)NCc1cccc([N+]2=CCCC2)c1 CC(C)[C@H](O)CC[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)N[*:1]
CC(C)[C@H](O)CCNC(=O)NCc1cccc([N+]2=CCCC2)c1 CC(C)[C@H](O)[*:1] O=C(NCC[*:1])NCc1cccc(c1)[N+]1=CCCC1
C[C@H](NC(=O)NCCOC[C@H]1CCCO1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)NCCOC[C@H]1CCCO1)[*:1]
C[C@H](NC(=O)NCCOC[C@H]1CCCO1)c1ccc(Cl)s1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)NCCOC[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NCCOC[C@H]1CCCO1)c1ccc(Cl)s1 C1CO[C@H](C1)CO[*:1] C[C@H](NC(=O)NCC[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NCCOC[C@H]1CCCO1)c1ccc(Cl)s1 C1CO[C@H](C1)C[*:1] C[C@H](NC(=O)NCCO[*:1])c1ccc(Cl)s1
COc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3C)C2)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@H]1CCN(C1)S(=O)(=O)c1ccc(cc1C)[*:1]
COc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3C)C2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc(c(C)c1)S(=O)(=O)N1CC[C@@H](C1)[*:1]
COc1ccccc1Cn1c(CN2C(=O)c3ccccc3C2=O)nc2cccnc21 COc1ccccc1[*:1] O=C1c2ccccc2C(=O)N1Cc1nc2cccnc2n1C[*:1]
COc1ccccc1Cn1c(CN2C(=O)c3ccccc3C2=O)nc2cccnc21 COc1ccccc1C[*:1] O=C1c2ccccc2C(=O)N1Cc1nc2cccnc2n1[*:1]
CCOC(=O)c1cccc(NC(=O)Cc2ccccc2F)c1 Fc1ccccc1[*:1] CCOC(=O)c1cccc(c1)NC(=O)C[*:1]
CCOC(=O)c1cccc(NC(=O)Cc2ccccc2F)c1 CCOC(=O)[*:1] O=C(Cc1ccccc1F)Nc1cccc(c1)[*:1]
C[C@H](C[NH2+][C@H](C)c1ccc(F)cn1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C[NH2+][C@H](C)c1ccc(F)cn1)[*:1]
Cc1ccc([C@H]([NH2+]CC2(N(C)C)CCOCC2)C2CC2)cc1 Cc1ccc(cc1)[*:1] CN(C)C1(CCOCC1)C[NH2+][C@H](C1CC1)[*:1]
Cc1ccc([C@H]([NH2+]CC2(N(C)C)CCOCC2)C2CC2)cc1 CN(C)[*:1] Cc1ccc(cc1)[C@H]([NH2+]CC1(CCOCC1)[*:1])C1CC1
Cc1ccc([C@H]([NH2+]CC2(N(C)C)CCOCC2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H]([NH2+]CC1(CCOCC1)N(C)C)[*:1]
Cn1c(C2CC2)[nH+]c2c1CCN(C[C@H](C#N)CCC#N)C2 C1CC1[*:1] Cn1c([nH+]c2CN(CCc21)C[C@H](C#N)CCC#N)[*:1]
Cn1c(C2CC2)[nH+]c2c1CCN(C[C@H](C#N)CCC#N)C2 N#CCC[*:1] Cn1c([nH+]c2CN(CCc21)C[C@H](C#N)[*:1])C1CC1
Cn1c(C2CC2)[nH+]c2c1CCN(C[C@H](C#N)CCC#N)C2 N#CCC[C@@H](C#N)[*:1] Cn1c([nH+]c2CN(CCc21)C[*:1])C1CC1
Cn1c(C2CC2)[nH+]c2c1CCN(C[C@H](C#N)CCC#N)C2 N#CC[*:1] Cn1c([nH+]c2CN(CCc21)C[C@H](C#N)C[*:1])C1CC1
CC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccn2)C2CC2)C1 c1ccc(nc1)[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C[*:1])C1CC1
CC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccn2)C2CC2)C1 C1CC1[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](Cc1ccccn1)[*:1]
COc1ccc2c(c1)[C@H](C(=O)NCCc1ccc(C)o1)CC(=O)N2 Cc1ccc(C[*:1])o1 COc1ccc2NC(=O)C[C@@H](C(=O)NC[*:1])c2c1
COc1ccc2c(c1)[C@H](C(=O)NCCc1ccc(C)o1)CC(=O)N2 Cc1ccc(o1)[*:1] COc1ccc2NC(=O)C[C@@H](C(=O)NCC[*:1])c2c1
COc1ccc2c(c1)[C@H](C(=O)NCCc1ccc(C)o1)CC(=O)N2 Cc1ccc(CC[*:1])o1 COc1ccc2NC(=O)C[C@@H](C(=O)N[*:1])c2c1
C=CCNC(=O)[C@]12CC[C@](C)([C@H]1Br)C2(C)C C=CC[*:1] CC1(C)[C@]2(C)CC[C@@]1(C(=O)N[*:1])[C@@H]2Br
CC(C)Oc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 CC(C)O[*:1] O=c1c(coc2cc(O)ccc12)-c1ccc(cc1)[*:1]
CC(C)Oc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 CC(C)[*:1] O=c1c(coc2cc(O)ccc12)-c1ccc(cc1)O[*:1]
O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(COc2ccccc2)o1 Fc1ccc(cc1Cl)[*:1] O=C(NNS(=O)(=O)[*:1])c1ccc(COc2ccccc2)o1
O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(COc2ccccc2)o1 c1ccc(cc1)[*:1] O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(CO[*:1])o1
O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(COc2ccccc2)o1 c1ccc(cc1)O[*:1] O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(C[*:1])o1
O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(COc2ccccc2)o1 c1ccc(cc1)OC[*:1] O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(o1)[*:1]
COc1ccc(-c2nnc(N3CCC(C(=O)N(C)C)CC3)o2)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)-c1nnc(o1)N1CCC(CC1)[*:1]
COc1ccc(-c2nnc(N3CCC(C(=O)N(C)C)CC3)o2)cc1 COc1ccc(cc1)[*:1] CN(C)C(=O)C1CCN(CC1)c1nnc(o1)[*:1]
COC(=O)c1cccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@H](C1)c1nc2ccccc2s1
COC(=O)c1cccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 c1ccc2sc(nc2c1)[*:1] COC(=O)c1cccc(c1)NC(=O)N1CCC[C@@H](C1)[*:1]
OCC[NH+](Cc1cccnc1)Cc1cccc2c1OCCCO2 c1cncc(c1)[*:1] OCC[NH+](Cc1cccc2OCCCOc12)C[*:1]
OCC[NH+](Cc1cccnc1)Cc1cccc2c1OCCCO2 c1cncc(c1)C[*:1] OCC[NH+](Cc1cccc2OCCCOc12)[*:1]
COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)Nc2ccc(C)cc2C)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)C(=O)Nc1nc2c(CCC[C@H]2C(=O)N[*:1])s1
COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)Nc2ccc(C)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@@H]2CCCc3sc(nc32)NC(=O)[*:1])c(C)c1
CC(=O)NCC(=O)N1CCC[C@H]1c1cccc(Br)c1 CC(=O)NC[*:1] O=C(N1CCC[C@H]1c1cccc(Br)c1)[*:1]
CC(=O)NCC(=O)N1CCC[C@H]1c1cccc(Br)c1 CC(=O)N[*:1] O=C(C[*:1])N1CCC[C@H]1c1cccc(Br)c1
Cc1ccc(-c2cnc(C[NH2+]C[C@H]3CCCO3)s2)o1 Cc1ccc(o1)[*:1] c1nc(C[NH2+]C[C@H]2CCCO2)sc1[*:1]
Cc1ccc(-c2cnc(C[NH2+]C[C@H]3CCCO3)s2)o1 C1CO[C@H](C1)[*:1] Cc1ccc(o1)-c1cnc(C[NH2+]C[*:1])s1
NC(=O)[C@H]1CCN(C(=O)Nc2ccc(-n3cncn3)nc2)C1 c1ncn(n1)[*:1] NC(=O)[C@H]1CCN(C1)C(=O)Nc1ccc(nc1)[*:1]
NC(=O)[C@H]1CCN(C(=O)Nc2ccc(-n3cncn3)nc2)C1 NC(=O)[*:1] O=C(Nc1ccc(nc1)-n1cncn1)N1CC[C@@H](C1)[*:1]
COC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(N)=O)cc2)cc1 COC(=O)[*:1] NC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)[*:1]
COC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(N)=O)cc2)cc1 NC(=O)N[*:1] COC(=O)c1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)[*:1]
CNC(=O)COc1cccc(CC(=O)N2C[C@H](C)OCC2(C)C)c1 CNC(=O)CO[*:1] C[C@H]1CN(C(=O)Cc2cccc(c2)[*:1])C(C)(C)CO1
CNC(=O)COc1cccc(CC(=O)N2C[C@H](C)OCC2(C)C)c1 CNC(=O)[*:1] C[C@H]1CN(C(=O)Cc2cccc(c2)OC[*:1])C(C)(C)CO1
CNC(=O)COc1cccc(CC(=O)N2C[C@H](C)OCC2(C)C)c1 CNC(=O)C[*:1] C[C@H]1CN(C(=O)Cc2cccc(c2)O[*:1])C(C)(C)CO1
CC[C@H](NC(=O)CCc1cccc(Cl)c1)C(=O)N1CCOCC1 Clc1cccc(c1)[*:1] CC[C@H](NC(=O)CC[*:1])C(=O)N1CCOCC1
COC(=O)[C@@H](C(C)C)[C@@H](O)c1c[nH+]cn1C1CC1 C1CC1[*:1] COC(=O)[C@@H](C(C)C)[C@@H](O)c1c[nH+]cn1[*:1]
COC(=O)[C@@H](C(C)C)[C@@H](O)c1c[nH+]cn1C1CC1 COC(=O)[*:1] CC(C)[C@@H]([C@@H](O)c1c[nH+]cn1C1CC1)[*:1]
COC(=O)[C@@H](C(C)C)[C@@H](O)c1c[nH+]cn1C1CC1 CC(C)[*:1] COC(=O)[C@@H]([C@@H](O)c1c[nH+]cn1C1CC1)[*:1]
CCn1ccnc(N(C)Cc2ccc(C(=O)NC)cc2)c1=O CNC(=O)[*:1] CCn1ccnc(c1=O)N(C)Cc1ccc(cc1)[*:1]
O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cc2ccccc2c(=O)[nH]1 FC(F)(F)[*:1] O=C(NCCNc1ncc(cc1Cl)[*:1])c1cc2ccccc2c(=O)[nH]1
CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cnc(C)s1 CC[C@H](C)[*:1] Cc1ncc(s1)[C@@H](C)[NH2+]CCC(=O)N[*:1]
CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cnc(C)s1 Cc1ncc(s1)[*:1] CC[C@H](C)NC(=O)CC[NH2+][C@H](C)[*:1]
CC[C@H](O)CN1CCN(C(=O)c2c(C)oc3nc[nH]c(=O)c23)CC1 CC[C@H](O)C[*:1] Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(CC1)[*:1]
CC[C@H](O)CN1CCN(C(=O)c2c(C)oc3nc[nH]c(=O)c23)CC1 CC[C@H](O)[*:1] Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(CC1)C[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CNC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)O[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](CNC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)O[C@@H](C)CNC(=O)C1CCN(CC1)C(=O)O[*:1]
COC(=O)c1cccc(C(=O)Nc2ccc(Br)nc2C)n1 COC(=O)[*:1] Cc1nc(Br)ccc1NC(=O)c1cccc(n1)[*:1]
COc1ccc(C)cc1NCc1ccc(C(=O)[O-])cn1 O=C([O-])[*:1] COc1ccc(C)cc1NCc1ccc(cn1)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)CC(C)(C)C CC(C)(C)C[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)CC(C)(C)C CC(C)(C)[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)C[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)CC(C)(C)C CCS[*:1] CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCCC[C@H]1[*:1]
CC(C)C[C@H](C)[NH2+][C@H]1CCN(c2ccccn2)C1 CC(C)[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CCN(C1)c1ccccn1
CC(C)C[C@H](C)[NH2+][C@H]1CCN(c2ccccn2)C1 CC(C)C[*:1] C[C@H]([NH2+][C@H]1CCN(C1)c1ccccn1)[*:1]
CC(C)C[C@H](C)[NH2+][C@H]1CCN(c2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)C[C@H](C)[NH2+][C@H]1CCN(C1)[*:1]
CC(C)C[C@H](C)[NH2+][C@H]1CCN(c2ccccn2)C1 CC(C)C[C@H](C)[*:1] c1ccc(nc1)N1CC[C@@H](C1)[NH2+][*:1]
CN(C)c1cccc(C(=O)N2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)c1 CN(C)c1cccc(c1)[*:1] Cn1c(C[NH+](C)C)nnc1[C@H]1CCCN(C1)C(=O)[*:1]
CN(C)c1cccc(C(=O)N2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)c1 CN(C)[*:1] Cn1c(C[NH+](C)C)nnc1[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
OCC1(CNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCOCC1 OCC1(CCOCC1)[*:1] Clc1ccc(cc1)C[NH+]1CCC(CC1)NC[*:1]
OCC1(CNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCOCC1 Clc1ccc(cc1)C[*:1] OCC1(CCOCC1)CNC1CC[NH+](CC1)[*:1]
OCC1(CNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCOCC1 Clc1ccc(cc1)[*:1] OCC1(CCOCC1)CNC1CC[NH+](CC1)C[*:1]
O=C(NCCc1ccc(F)cc1)Nc1cccc(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 O=C(NCCc1ccc(F)cc1)Nc1cccc(c1)[*:1]
O=C(NCCc1ccc(F)cc1)Nc1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] O=C(NCCc1ccc(F)cc1)Nc1cccc(c1)NC(=O)[*:1]
O=C(NCCc1ccc(F)cc1)Nc1cccc(NC(=O)c2cccs2)c1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])Nc1cccc(c1)NC(=O)c1cccs1
O=C(NCCc1ccc(F)cc1)Nc1cccc(NC(=O)c2cccs2)c1 Fc1ccc(cc1)CC[*:1] O=C(Nc1cccc(c1)NC(=O)c1cccs1)N[*:1]
O=C(NCCc1ccc(F)cc1)Nc1cccc(NC(=O)c2cccs2)c1 Fc1ccc(cc1)C[*:1] O=C(NC[*:1])Nc1cccc(c1)NC(=O)c1cccs1
CCOC[C@@H](C)NC(=O)c1csc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] CCOC[C@@H](C)NC(=O)c1csc(c1C)[*:1]
CCOC[C@@H](C)NC(=O)c1csc(S(N)(=O)=O)c1C CCOC[*:1] Cc1c(csc1S(N)(=O)=O)C(=O)N[C@H](C)[*:1]
CCOC[C@@H](C)NC(=O)c1csc(S(N)(=O)=O)c1C CCO[*:1] Cc1c(csc1S(N)(=O)=O)C(=O)N[C@H](C)C[*:1]
CCOC[C@@H](C)NC(=O)c1csc(S(N)(=O)=O)c1C CCOC[C@@H](C)[*:1] Cc1c(csc1S(N)(=O)=O)C(=O)N[*:1]
Cc1nc([C@]2(C)CCCO2)nc(C)c1C(=O)[O-] O=C([O-])[*:1] Cc1nc(nc(C)c1[*:1])[C@]1(C)CCCO1
C#CCCS[C@H](C)CCO C#CC[*:1] C[C@H](CCO)SC[*:1]
C#CCCS[C@H](C)CCO OCC[*:1] C#CCCS[C@H](C)[*:1]
C[C@@H]1CCc2c(sc3nc(CSc4n[nH]c(N)n4)[nH]c(=O)c23)C1 Nc1nc(n[nH]1)S[*:1] C[C@@H]1CCc2c(C1)sc1nc(C[*:1])[nH]c(=O)c21
C[C@@H]1CCc2c(sc3nc(CSc4n[nH]c(N)n4)[nH]c(=O)c23)C1 Nc1nc(n[nH]1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(CS[*:1])[nH]c(=O)c21
CCc1ccc([C@@H](CO)[NH2+]C2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)[C@@H](CO)[NH2+]C1CCN(CC1)[*:1]
CCc1ccc([C@@H](CO)[NH2+]C2CCN(c3ccccc3)CC2)cc1 CCc1ccc(cc1)[*:1] OC[C@@H]([NH2+]C1CCN(CC1)c1ccccc1)[*:1]
O=C(Cn1cccn1)N1CCC[NH+](CCCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1cccn1)N1CCC[NH+](CCC[*:1])CC1
O=C(Cn1cccn1)N1CCC[NH+](CCCc2ccccc2)CC1 c1cnn(c1)C[*:1] O=C(N1CCC[NH+](CCCc2ccccc2)CC1)[*:1]
O=C(Cn1cccn1)N1CCC[NH+](CCCc2ccccc2)CC1 c1cnn(c1)[*:1] O=C(C[*:1])N1CCC[NH+](CCCc2ccccc2)CC1
O=C(Cn1cccn1)N1CCC[NH+](CCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Cn1cccn1)N1CCC[NH+](CC1)CC[*:1]
O=C(Cn1cccn1)N1CCC[NH+](CCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(Cn1cccn1)N1CCC[NH+](CC1)C[*:1]
CCCCNc1ccc(N)c(OC)n1 CCC[*:1] COc1nc(ccc1N)NC[*:1]
CCCCNc1ccc(N)c(OC)n1 CCCC[*:1] COc1nc(ccc1N)N[*:1]
C[C@@]12CCC(=O)N1[C@@H](C(=O)N(Cc1ccsc1)C1CC1)CS2 c1cc(cs1)[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)N(C[*:1])C1CC1
C[C@@]12CCC(=O)N1[C@@H](C(=O)N(Cc1ccsc1)C1CC1)CS2 c1cc(cs1)C[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)N(C1CC1)[*:1]
C[C@@]12CCC(=O)N1[C@@H](C(=O)N(Cc1ccsc1)C1CC1)CS2 C1CC1[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)N(Cc1ccsc1)[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)NC[C@H]1CCC(=O)N1 O=C1CC[C@@H](N1)[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)NC[*:1]
CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(CC[NH3+])nc2ccccc12 CC(C)(C)[*:1] CN(Cc1cc(n[nH]1)[*:1])c1nc(CC[NH3+])nc2ccccc12
CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(CC[NH3+])nc2ccccc12 [NH3+]CC[*:1] CN(Cc1cc(n[nH]1)C(C)(C)C)c1nc(nc2ccccc12)[*:1]
C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1nc2cc(Cl)ccc2n1C C1CN(CCO1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H](C)c1nc2cc(Cl)ccc2n1C
C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1nc2cc(Cl)ccc2n1C C1CN(CCO1)C[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1nc2cc(Cl)ccc2n1C
C=CCn1cnc2cccc(Br)c2c1=O C=CC[*:1] O=c1c2c(Br)cccc2ncn1[*:1]
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)cc1 Clc1ccc(c(Cl)c1)[*:1] Cc1ccc(cc1)-n1nc(C)c(/C=N/NC(=O)CO[*:1])c1C
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=N/NC(=O)COc1ccc(Cl)cc1Cl)[*:1]
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c2C)cc1 Clc1ccc(O[*:1])c(Cl)c1 Cc1ccc(cc1)-n1nc(C)c(/C=N/NC(=O)C[*:1])c1C
Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCO3)CC2)c1[N+](=O)[O-] C1CO[C@H](C1)[*:1] Cc1nn(C)c(c1[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCO3)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)c(c1[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
C=C(C)[C@@H]([NH3+])[C@@H]1CCC[C@H](C)C1 C=C(C)[*:1] C[C@H]1CCC[C@H](C1)[C@H]([NH3+])[*:1]
O=C(NC[C@@H]1CCCc2ccccc21)C(=O)Nc1cccc(Cl)c1F Fc1c(Cl)cccc1[*:1] O=C(NC[C@@H]1CCCc2ccccc21)C(=O)N[*:1]
COc1ccc(/C=C/C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)Nc2cccnc2)cc1 O=C(Nc1cccnc1)[*:1] COc1ccc(/C=C/C(=O)N/C(=C\c2ccc3OCOc3c2)[*:1])cc1
COc1ccc(/C=C/C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)Nc2cccnc2)cc1 c1cncc(c1)[*:1] COc1ccc(/C=C/C(=O)N/C(=C\c2ccc3OCOc3c2)C(=O)N[*:1])cc1
COc1ccc(/C=C/C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)Nc2cccnc2)cc1 COc1ccc(cc1)[*:1] O=C(C=C[*:1])N/C(=C\c1ccc2OCOc2c1)C(=O)Nc1cccnc1
COc1ccc(/C=C/C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)Nc2cccnc2)cc1 COc1ccc(C=C[*:1])cc1 O=C(Nc1cccnc1)/C(=C/c1ccc2OCOc2c1)NC(=O)[*:1]
COc1ccc(/C=C/C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)Nc2cccnc2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(/C=C/C(=O)NC(=C[*:1])C(=O)Nc2cccnc2)cc1
CCOc1ccc([C@]2(CC)NC(=O)c3ccccc3N2)cc1 CCO[*:1] CC[C@]1(NC(=O)c2ccccc2N1)c1ccc(cc1)[*:1]
O=C(COc1ccc(F)cc1Br)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(COc1ccc(F)cc1Br)NC[*:1]
CC(C)c1nc(NC(=O)NCc2cnn(-c3ccccc3)c2)n(C)n1 c1ccc(cc1)[*:1] CC(C)c1nc(NC(=O)NCc2cnn(c2)[*:1])n(C)n1
CC(C)c1nc(NC(=O)NCc2cnn(-c3ccccc3)c2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)NCc1cnn(c1)-c1ccccc1)[*:1]
CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc3c(c2)OCO3)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccc2OCOc2c1
CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc3c(c2)OCO3)cc1OC c1cc2OCOc2cc1[*:1] CCOc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
CC(=O)N1CC[C@H](C(=O)Nc2c(C)cnn2-c2ccccc2)C1 c1ccc(cc1)[*:1] CC(=O)N1CC[C@@H](C1)C(=O)Nc1c(C)cnn1[*:1]
Cc1ccc(CN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C(C)C)o1 c1ccc2c(c1)ncn2[*:1] Cc1ccc(CN(C(=O)c2ccc(nc2)[*:1])C(C)C)o1
Cc1ccc(CN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C(C)C)o1 CC(C)[*:1] Cc1ccc(CN(C(=O)c2ccc(nc2)-n2cnc3ccccc32)[*:1])o1
Cc1ccc(CN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C(C)C)o1 Cc1ccc(o1)[*:1] CC(C)N(C[*:1])C(=O)c1ccc(nc1)-n1cnc2ccccc21
Cc1ccc(CN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C(C)C)o1 Cc1ccc(C[*:1])o1 CC(C)N(C(=O)c1ccc(nc1)-n1cnc2ccccc21)[*:1]
C[C@H]1CCCN1C(=O)CCN1C(=O)N[C@@](C)(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@H]1CCCN1C(=O)CCN1C(=O)N[C@@](C)(C1=O)[*:1]
C[C@H]1CCCN1C(=O)CCN1C(=O)N[C@@](C)(c2ccccc2)C1=O C[C@H]1CCCN1C(=O)[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1ccccc1
Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)C(=O)NCc1ccc(F)cc1)[*:1]
Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1NC(=O)C(=O)N[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[*:1])C(F)(F)F
CS[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CS[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1[*:1]
COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc(ccc1C)[*:1]
COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C COc1ccc(C)cc1[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)[NH2+][C@H](C)[*:1])[N+](=O)[O-]
CCOCc1ccccc1NCC(=O)Nc1ccc(F)cc1F CCOC[*:1] O=C(CNc1ccccc1[*:1])Nc1ccc(F)cc1F
CCOCc1ccccc1NCC(=O)Nc1ccc(F)cc1F CCO[*:1] O=C(CNc1ccccc1C[*:1])Nc1ccc(F)cc1F
COc1cccc2c1OC[C@@H](C(=O)N1CCC[C@H](c3ccn[nH]3)C1)C2 c1cc([nH]n1)[*:1] COc1cccc2C[C@@H](COc21)C(=O)N1CCC[C@H](C1)[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2ccccc2)C2CC2)C1 c1ccc(cc1)[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N[C@@H](C[*:1])C1CC1
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2ccccc2)C2CC2)C1 CC(C)[*:1] O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@H]1CCCN(C1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2ccccc2)C2CC2)C1 c1ccc(cc1)C[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N[C@@H](C1CC1)[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2ccccc2)C2CC2)C1 C1CC1[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N[C@@H](Cc1ccccc1)[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2ccccc2)C2CC2)C1 CC(C)C[*:1] O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@H]1CCCN(C1)C(=O)N[*:1]
CS(=O)(=O)c1cccc(-c2ccc(C(=O)[O-])nc2)c1 CS(=O)(=O)[*:1] O=C([O-])c1ccc(cn1)-c1cccc(c1)[*:1]
CS(=O)(=O)c1cccc(-c2ccc(C(=O)[O-])nc2)c1 O=C([O-])[*:1] CS(=O)(=O)c1cccc(c1)-c1ccc(nc1)[*:1]
Cn1c(=O)/c(=C\c2ccsc2)s/c1=C(\C#N)C(=O)c1ccccc1F c1cc(cs1)[*:1] Cn1c(=O)c(=C[*:1])s/c1=C(\C#N)C(=O)c1ccccc1F
Cn1c(=O)/c(=C\c2ccsc2)s/c1=C(\C#N)C(=O)c1ccccc1F Fc1ccccc1[*:1] Cn1c(=O)/c(=C\c2ccsc2)s/c1=C(\C#N)C(=O)[*:1]
Cc1ccc(OCC2(O)CCCC2)c(C[NH2+]C2CC2)n1 C1CC1[*:1] Cc1ccc(OCC2(O)CCCC2)c(C[NH2+][*:1])n1
Cc1ccc(OCC2(O)CCCC2)c(C[NH2+]C2CC2)n1 OC1(CCCC1)[*:1] Cc1ccc(OC[*:1])c(C[NH2+]C2CC2)n1
CN(Cc1ccccc1)C(=O)[C@@H]1CSc2nccc(=O)n2C1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@@H]1CSc2nccc(=O)n2C1
CN(Cc1ccccc1)C(=O)[C@@H]1CSc2nccc(=O)n2C1 c1ccc(cc1)C[*:1] CN(C(=O)[C@@H]1CSc2nccc(=O)n2C1)[*:1]
C[C@@H](Sc1nnc(N2CCOCC2)n1CC(F)(F)F)C(N)=O NC(=O)[*:1] C[C@@H](Sc1nnc(N2CCOCC2)n1CC(F)(F)F)[*:1]
C[C@@H](Sc1nnc(N2CCOCC2)n1CC(F)(F)F)C(N)=O FC(F)(F)C[*:1] C[C@@H](Sc1nnc(N2CCOCC2)n1[*:1])C(N)=O
C[C@@H](Sc1nnc(N2CCOCC2)n1CC(F)(F)F)C(N)=O C[C@@H](S[*:1])C(N)=O FC(F)(F)Cn1c(nnc1[*:1])N1CCOCC1
C[C@@H](Sc1nnc(N2CCOCC2)n1CC(F)(F)F)C(N)=O C1CN(CCO1)[*:1] C[C@@H](Sc1nnc(n1CC(F)(F)F)[*:1])C(N)=O
C[C@@H](Sc1nnc(N2CCOCC2)n1CC(F)(F)F)C(N)=O C[C@@H](C(N)=O)[*:1] FC(F)(F)Cn1c(nnc1N1CCOCC1)S[*:1]
C[C@@H](Sc1nnc(N2CCOCC2)n1CC(F)(F)F)C(N)=O FC(F)(F)[*:1] C[C@@H](Sc1nnc(N2CCOCC2)n1C[*:1])C(N)=O
CCO[C@@H]1C[C@H]([O-])C12CCN(C(=O)c1cn(C)nc1C)CC2 CCO[*:1] Cc1nn(C)cc1C(=O)N1CCC2(CC1)[C@@H]([O-])C[C@H]2[*:1]
CCO[C@@H]1C[C@H]([O-])C12CCN(C(=O)c1cn(C)nc1C)CC2 Cc1nn(C)cc1[*:1] CCO[C@@H]1C[C@H]([O-])C12CCN(CC2)C(=O)[*:1]
CCOc1ccc2nc(N[C@@H]3CC3(C)C)sc2c1 CCO[*:1] CC1(C)C[C@H]1Nc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(N[C@@H]3CC3(C)C)sc2c1 CC1(C)C[C@H]1N[*:1] CCOc1ccc2nc(sc2c1)[*:1]
C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1ccc2OCC(=O)Nc2c1
CC(C)CCO[C@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)C1 Clc1ccc(s1)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)[C@@H](C)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)C1 CC(C)C[*:1] C[C@H](C(=O)N1CC[C@@H](C1)OC[*:1])c1ccc(Cl)s1
CC(C)CCO[C@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)C1 CC(C)[*:1] C[C@H](C(=O)N1CC[C@@H](C1)OCC[*:1])c1ccc(Cl)s1
CC(C)CCO[C@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)C1 CC(C)CC[*:1] C[C@H](C(=O)N1CC[C@@H](C1)O[*:1])c1ccc(Cl)s1
CC(C)CCO[C@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)C1 CC(C)CCO[*:1] C[C@H](C(=O)N1CC[C@@H](C1)[*:1])c1ccc(Cl)s1
CC(C)C1CCC(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 NC(=O)[*:1] CC(C)C1CCC(CC1)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
CC(C)C1CCC(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 CC(C)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)C1CCC(CC1)[*:1]
COc1cccc2cc(C(=O)NCC#CCOc3cccc(NC(C)=O)c3)oc12 CC(=O)N[*:1] COc1cccc2cc(oc12)C(=O)NCC#CCOc1cccc(c1)[*:1]
CC(=O)N1CCOc2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc21 c1cc2OCOc2cc1[*:1] CC(=O)N1CCOc2ccc(cc21)S(=O)(=O)NC[*:1]
CC[C@@](C)(C(=O)c1cc(C)cc(C)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)(C(=O)c1cc(C)cc(C)c1)[*:1]
CS(C)(=O)=NC(=O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12 CS(C)(=O)=NC(=O)[*:1] FC(F)(F)c1cc(n2ncc(c2n1)[*:1])C(F)(F)F
CS(C)(=O)=NC(=O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12 FC(F)(F)[*:1] CS(C)(=O)=NC(=O)c1cnn2c(cc(nc12)C(F)(F)F)[*:1]
CS(C)(=O)=NC(=O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12 FC(F)(F)[*:1] CS(C)(=O)=NC(=O)c1cnn2c(cc(nc12)[*:1])C(F)(F)F
Cn1cnnc1C1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 Cn1cnnc1[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCC(CC1)[*:1]
Cc1c(C(=O)NCCc2nnc3n2CCC3)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(nnn1[*:1])C(=O)NCCc1nnc2CCCn21
Cc1c(C(=O)NCCc2nnc3n2CCC3)nnn1-c1cccc(Cl)c1 C1Cc2nnc(n2C1)[*:1] Cc1c(nnn1-c1cccc(Cl)c1)C(=O)NCC[*:1]
CCCCCN(C(C)C)S(=O)(=O)c1cnn(C)c1 CCC[*:1] CC(C)N(CC[*:1])S(=O)(=O)c1cnn(C)c1
CCCCCN(C(C)C)S(=O)(=O)c1cnn(C)c1 CCCCC[*:1] CC(C)N(S(=O)(=O)c1cnn(C)c1)[*:1]
CCCCCN(C(C)C)S(=O)(=O)c1cnn(C)c1 CCCC[*:1] CC(C)N(C[*:1])S(=O)(=O)c1cnn(C)c1
CCCCCN(C(C)C)S(=O)(=O)c1cnn(C)c1 CC(C)[*:1] CCCCCN(S(=O)(=O)c1cnn(C)c1)[*:1]
CCCCCN(C(C)C)S(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] CCCCCN(C(C)C)S(=O)(=O)[*:1]
CCOC[C@@H]1CCN(C(=O)[C@H](C)Sc2nncn2C)C1 Cn1cnnc1[*:1] CCOC[C@@H]1CCN(C1)C(=O)[C@H](C)S[*:1]
CCOC[C@@H]1CCN(C(=O)[C@H](C)Sc2nncn2C)C1 CCO[*:1] C[C@H](Sc1nncn1C)C(=O)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)[C@H](C)Sc2nncn2C)C1 CCOC[*:1] C[C@H](Sc1nncn1C)C(=O)N1CC[C@H](C1)[*:1]
COc1ccc(F)cc1NC(=O)NCc1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] COc1ccc(F)cc1NC(=O)NCc1ccc(cc1)[*:1]
CSCc1cccc(N[C@H](C)C(=O)N2CCCC2)c1 CSC[*:1] C[C@@H](Nc1cccc(c1)[*:1])C(=O)N1CCCC1
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCCO3)cc1 COc1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)Nc1ccc2OCCCOc2c1
Cc1ccc([S@](=O)Cc2nnc(-c3ccccc3C)o2)c(C)c1 Cc1ccccc1[*:1] Cc1ccc(c(C)c1)[S@](=O)Cc1nnc(o1)[*:1]
CCN(CC)c1nc2sc(C(=O)OCc3nc4ccccc4[nH]3)cc2s1 CCN(CC)[*:1] O=C(OCc1nc2ccccc2[nH]1)c1cc2sc(nc2s1)[*:1]
O=C(C[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(C[NH+]1CCC(CC1)CN1C(=O)c2ccccc2C1=O)N[*:1]
CCc1cccc(C)c1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)CO[*:1] CCc1cccc(C)c1NC(=O)c1ccc(cc1)[*:1]
CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 COc1ccc(cc1OC)[*:1] CCN(C[*:1])C(=O)C1CCN(CC1)C(=O)c1cccc2ccccc12
CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 c1ccc2c(cccc2c1)[*:1] CCN(Cc1ccc(OC)c(c1)OC)C(=O)C1CCN(CC1)C(=O)[*:1]
CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 COc1ccc(cc1OC)C[*:1] CCN(C(=O)C1CCN(CC1)C(=O)c1cccc2ccccc12)[*:1]
CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 O=[N+]([O-])[*:1] CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(c(O)c1)[*:1]
C[NH+](CCOc1ccc(Cl)cc1)CC(=O)NC1(C#N)CCCCC1 N#CC1(CCCCC1)[*:1] C[NH+](CCOc1ccc(Cl)cc1)CC(=O)N[*:1]
C[NH+](CCOc1ccc(Cl)cc1)CC(=O)NC1(C#N)CCCCC1 Clc1ccc(cc1)O[*:1] C[NH+](CC[*:1])CC(=O)NC1(C#N)CCCCC1
C[NH+](CCOc1ccc(Cl)cc1)CC(=O)NC1(C#N)CCCCC1 Clc1ccc(cc1)[*:1] C[NH+](CCO[*:1])CC(=O)NC1(C#N)CCCCC1
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc4ccccc4o3)C2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1C(=O)c1cc2ccccc2o1)[*:1]
Cc1noc(C)c1CCCNC(=O)CN1CCN(c2cccc[nH+]2)CC1 Cc1noc(C)c1C[*:1] O=C(CN1CCN(CC1)c1cccc[nH+]1)NCC[*:1]
Cc1noc(C)c1CCCNC(=O)CN1CCN(c2cccc[nH+]2)CC1 Cc1noc(C)c1[*:1] O=C(CN1CCN(CC1)c1cccc[nH+]1)NCCC[*:1]
COCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 COC[*:1] O=C(NC[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1
COCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 COCCNC(=O)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCCC[C@@H]1[*:1]
COCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCCNC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1]
COCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 COCC[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1
C[NH+](C)[C@H](CNC(=O)NNc1ccccc1Cl)c1ccc(F)cc1 Clc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)NN[*:1])c1ccc(F)cc1
C[NH+](C)[C@H](CNC(=O)NNc1ccccc1Cl)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)NNc1ccccc1Cl)[*:1]
CC(=O)Nc1ccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 CN(C)S(=O)(=O)[*:1] CC(=O)Nc1ccc(cc1)OCC(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(=O)Nc1ccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 CC(=O)N[*:1] CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)COc1ccc(cc1)[*:1]
O=C1C[C@H](Nc2cccc[n+]2[C@H]2CC(=O)N(Cc3ccccc3)C2=O)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](Nc2cccc[n+]2[C@H]2CC(=O)N(Cc3ccccc3)C2=O)C(=O)N1C[*:1]
O=C1C[C@H](Nc2cccc[n+]2[C@H]2CC(=O)N(Cc3ccccc3)C2=O)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@H](Nc2cccc[n+]2[C@H]2CC(=O)N(C2=O)[*:1])C(=O)N1Cc1ccccc1
O=C1C[C@H](Nc2cccc[n+]2[C@H]2CC(=O)N(Cc3ccccc3)C2=O)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](Nc2cccc[n+]2[C@H]2CC(=O)N(C[*:1])C2=O)C(=O)N1Cc1ccccc1
O=C1C[C@H](Nc2cccc[n+]2[C@H]2CC(=O)N(Cc3ccccc3)C2=O)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@@H](C(=O)N1Cc1ccccc1)[n+]1ccccc1N[C@H]1CC(=O)N(C1=O)[*:1]
COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2scc3c2OCCO3)C1 O=C([O-])[*:1] COCC[C@]1(CCCN(C1)C(=O)c1scc2OCCOc21)[*:1]
COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2scc3c2OCCO3)C1 COCC[*:1] O=C(c1scc2OCCOc21)N1CCC[C@@](C1)(C(=O)[O-])[*:1]
COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2scc3c2OCCO3)C1 COC[*:1] O=C(c1scc2OCCOc21)N1CCC[C@@](C1)(C[*:1])C(=O)[O-]
Cc1cccc(C(C)C)c1NC(=O)CS[C@@H]1NN[C@H]([C@@H]2C=C(c3ccc(Cl)cc3)N=N2)N1N Cc1cccc(c1[*:1])C(C)C NN1[C@H](NN[C@H]1SCC(=O)N[*:1])[C@@H]1C=C(N=N1)c1ccc(Cl)cc1
Cc1cccc(C(C)C)c1NC(=O)CS[C@@H]1NN[C@H]([C@@H]2C=C(c3ccc(Cl)cc3)N=N2)N1N Clc1ccc(cc1)[*:1] Cc1cccc(c1NC(=O)CS[C@@H]1NN[C@H]([C@@H]2C=C(N=N2)[*:1])N1N)C(C)C
Cc1cccc(C(C)C)c1NC(=O)CS[C@@H]1NN[C@H]([C@@H]2C=C(c3ccc(Cl)cc3)N=N2)N1N CC(C)[*:1] Cc1cccc(c1NC(=O)CS[C@@H]1NN[C@H]([C@@H]2C=C(N=N2)c2ccc(Cl)cc2)N1N)[*:1]
CC(C)[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)N1CCC[C@H](C)C1 CC(C)[*:1] C[C@H]1CCCN(C1)C(=O)[C@@H](Sc1nc2ccccc2c(=O)n1C)[*:1]
C[C@H]1CCC[C@@H]([NH2+]Cc2cc(C(N)=O)ccc2F)C1 NC(=O)[*:1] C[C@H]1CCC[C@H](C1)[NH2+]Cc1cc(ccc1F)[*:1]
c1ccc([C@H]2CN(Cc3nc(-c4cccnc4)no3)CCO2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)-c1noc(CN2CCO[C@H](C2)[*:1])n1
c1ccc([C@H]2CN(Cc3nc(-c4cccnc4)no3)CCO2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)[C@H]1CN(CCO1)Cc1nc(no1)[*:1]
CC(C)Cc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)[nH]n1 CC(C)[*:1] O=C(c1cc(C[*:1])n[nH]1)N1CCC[C@H]1Cn1cccn1
CC(C)Cc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)[nH]n1 c1cnn(c1)[*:1] CC(C)Cc1cc([nH]n1)C(=O)N1CCC[C@H]1C[*:1]
CC(C)Cc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)[nH]n1 c1cnn(c1)C[*:1] CC(C)Cc1cc([nH]n1)C(=O)N1CCC[C@@H]1[*:1]
CC(C)Cc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)[nH]n1 CC(C)C[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCC[C@H]1Cn1cccn1
CCOc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1S(=O)(=O)N1CCOCC1 CCO[*:1] O=C(Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)[*:1])c1cc2CCCCCc2s1
CCOc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1S(=O)(=O)N1CCOCC1 c1c(sc2CCCCCc12)[*:1] CCOc1ccc(cc1S(=O)(=O)N1CCOCC1)NC(=O)[*:1]
CCOc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] CCOc1ccc(cc1[*:1])NC(=O)c1cc2CCCCCc2s1
CC(=O)c1cc(CC(=O)NCc2cc(F)c(F)cc2F)cs1 CC(=O)[*:1] O=C(Cc1csc(c1)[*:1])NCc1cc(F)c(F)cc1F
Cc1cnc(C[S@@](=O)Cc2nc3ccccc3s2)o1 Cc1cnc(o1)[*:1] O=[S@@](Cc1nc2ccccc2s1)C[*:1]
CCCc1cc(NC(=O)c2c(Cl)nc3ccccn23)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)c1c(Cl)nc2ccccn12)[*:1]
Cc1ccc2c(Cn3nnnc3CCCc3ccccc3)cc(=O)oc2c1 c1ccc(cc1)CCC[*:1] Cc1ccc2c(cc(=O)oc2c1)Cn1nnnc1[*:1]
Cc1ccc2c(Cn3nnnc3CCCc3ccccc3)cc(=O)oc2c1 c1ccc(cc1)[*:1] Cc1ccc2c(cc(=O)oc2c1)Cn1nnnc1CCC[*:1]
Cc1ccc2c(Cn3nnnc3CCCc3ccccc3)cc(=O)oc2c1 c1ccc(cc1)CC[*:1] Cc1ccc2c(cc(=O)oc2c1)Cn1nnnc1C[*:1]
Cc1ccc2c(Cn3nnnc3CCCc3ccccc3)cc(=O)oc2c1 c1ccc(cc1)C[*:1] Cc1ccc2c(cc(=O)oc2c1)Cn1nnnc1CC[*:1]
Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 Cc1noc(C)c1[*:1] C[C@H](C[NH2+][C@@H]1CCc2cc(Br)ccc2C1)[*:1]
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2Cl)C1 CC[C@@H](C)[*:1] O=C(Nc1cc(F)ccc1Cl)[C@H]1CCCN(C1)C(=O)[*:1]
COc1cccc(CCC[NH2+][C@H](C)c2cnccn2)c1 c1cnc(cn1)[*:1] COc1cccc(c1)CCC[NH2+][C@H](C)[*:1]
Cc1ccc(O[C@@H](C)c2[nH]nc(C)c2C(=O)NN)cc1 NNC(=O)[*:1] Cc1ccc(cc1)O[C@@H](C)c1[nH]nc(C)c1[*:1]
CN(C[C@@H](O)C1CC1)C(=O)Cc1ccc(OC(F)(F)F)cc1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)Cc1ccc(cc1)OC(F)(F)F
CN(C[C@@H](O)C1CC1)C(=O)Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CN(C[C@@H](O)C1CC1)C(=O)Cc1ccc(cc1)O[*:1]
CN(C[C@@H](O)C1CC1)C(=O)Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CN(C[C@@H](O)C1CC1)C(=O)Cc1ccc(cc1)[*:1]
Cc1cc(Br)cnc1N1CCN(C(C)(C)C[NH3+])CC1 CC(C)(C[NH3+])[*:1] Cc1cc(Br)cnc1N1CCN(CC1)[*:1]
O=C(NC1(C(=O)[O-])CC[NH2+]CC1)OCC1c2ccccc2-c2ccccc21 O=C([O-])[*:1] O=C(NC1(CC[NH2+]CC1)[*:1])OCC1c2ccccc2-c2ccccc21
CC(C)(C)c1nc(NCc2ccccc2)c2nnn(Cc3ccccc3)c2n1 c1ccc(cc1)C[*:1] CC(C)(C)c1nc(NCc2ccccc2)c2nnn(c2n1)[*:1]
CC(C)(C)c1nc(NCc2ccccc2)c2nnn(Cc3ccccc3)c2n1 c1ccc(cc1)[*:1] CC(C)(C)c1nc(NCc2ccccc2)c2nnn(C[*:1])c2n1
CC(C)(C)c1nc(NCc2ccccc2)c2nnn(Cc3ccccc3)c2n1 c1ccc(cc1)CN[*:1] CC(C)(C)c1nc(c2nnn(Cc3ccccc3)c2n1)[*:1]
CC(C)(C)c1nc(NCc2ccccc2)c2nnn(Cc3ccccc3)c2n1 c1ccc(cc1)C[*:1] CC(C)(C)c1nc(N[*:1])c2nnn(Cc3ccccc3)c2n1
CC(C)(C)c1nc(NCc2ccccc2)c2nnn(Cc3ccccc3)c2n1 c1ccc(cc1)[*:1] CC(C)(C)c1nc(NC[*:1])c2nnn(Cc3ccccc3)c2n1
CC(C)(C)c1nc(NCc2ccccc2)c2nnn(Cc3ccccc3)c2n1 CC(C)(C)[*:1] c1ccc(cc1)CNc1nc(nc2c1nnn2Cc1ccccc1)[*:1]
OCC1(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)COC1 OCC1(COC1)[*:1] Clc1ccc(cc1)C1(CCC1)[NH2+]C[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC(C)=O)cc1 COc1ccccc1[*:1] COC(=O)C1=C(C)NC2C[C@@H](CC(=O)C=2[C@@H]1c1ccc(cc1)OC(C)=O)[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC(C)=O)cc1 COC(=O)[*:1] COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C([C@H]2c1ccc(cc1)OC(C)=O)[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC(C)=O)cc1 CC(=O)O[*:1] COC(=O)C1=C(C)NC2C[C@H](CC(=O)C=2[C@@H]1c1ccc(cc1)[*:1])c1ccccc1OC
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC(C)=O)cc1 CC(=O)Oc1ccc(cc1)[*:1] COC(=O)C1=C(C)NC2C[C@H](CC(=O)C=2[C@H]1[*:1])c1ccccc1OC
CCN(CCNS(=O)(=O)c1cccnc1)c1cccc(C)c1 c1cncc(c1)[*:1] CCN(CCNS(=O)(=O)[*:1])c1cccc(C)c1
CCN(CCNS(=O)(=O)c1cccnc1)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(CCNS(=O)(=O)c1cccnc1)[*:1]
CCOC(=O)/C=C/CSc1ccc(F)cc1 CCOC(=O)[*:1] Fc1ccc(cc1)SCC=C[*:1]
C[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)NNC(=O)[*:1]
CCOC(=O)c1c(S(=O)(=O)[N-]c2cccc(OC)c2)n[nH]c1C CCOC(=O)[*:1] COc1cccc(c1)[N-]S(=O)(=O)c1n[nH]c(C)c1[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)CCn2cnc3ccccc32)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)CCn1cnc2ccccc21
Cc1ccncc1NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] Cc1ccncc1NC(=O)N[C@@H]1C[C@H]1[*:1]
CN(C)C(=O)c1cn(C)nc1CC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 c1cc2OCCOc2cc1[*:1] CN(C)C(=O)c1cn(C)nc1CC1CCN(CC1)S(=O)(=O)[*:1]
CN(C)C(=O)c1cn(C)nc1CC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 CN(C)C(=O)[*:1] Cn1cc(c(CC2CCN(CC2)S(=O)(=O)c2ccc3OCCOc3c2)n1)[*:1]
O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCc1ccccc1 Brc1ccc(cc1)[*:1] O=C(CSc1nc2CCSc2c(=O)n1[*:1])NCc1ccccc1
O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1nc2CCSc2c(=O)n1-c1ccc(Br)cc1)N[*:1]
O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc2CCSc2c(=O)n1-c1ccc(Br)cc1)NC[*:1]
NNc1ncnc(Nc2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] NNc1ncnc(Nc2ccccc2)c1[*:1]
NNc1ncnc(Nc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] NNc1ncnc(N[*:1])c1[N+](=O)[O-]
C[S@@](=O)c1ccc(C[NH2+][C@H](c2cc3ccccc3o2)C2CC2)cc1 C1CC1[*:1] C[S@@](=O)c1ccc(cc1)C[NH2+][C@H](c1cc2ccccc2o1)[*:1]
C[S@@](=O)c1ccc(C[NH2+][C@H](c2cc3ccccc3o2)C2CC2)cc1 C[S@@](=O)[*:1] c1ccc2oc(cc2c1)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])C1CC1
COC(=O)CNS(=O)(=O)c1c(C)ccc(N)c1C COC(=O)C[*:1] Cc1ccc(N)c(C)c1S(=O)(=O)N[*:1]
COC(=O)CNS(=O)(=O)c1c(C)ccc(N)c1C COC(=O)[*:1] Cc1ccc(N)c(C)c1S(=O)(=O)NC[*:1]
CCOC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1ccc(F)c(Cl)c1)CC2 CCOC(=O)N[*:1] O=C(CN1CCc2nc(sc2C1)[*:1])Nc1ccc(F)c(Cl)c1
CCOC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1ccc(F)c(Cl)c1)CC2 Fc1ccc(cc1Cl)[*:1] CCOC(=O)Nc1nc2CCN(CC(=O)N[*:1])Cc2s1
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C(=O)N[*:1])S(=O)(=O)N1CCCCC1
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)Nc1ccc(F)cc1Cl O=S(=O)(N1CCCCC1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C(=O)Nc1ccc(F)cc1Cl)[*:1]
CCc1nc(N2CCOCC2)ncc1C(=O)NC1(c2ccccc2)CCCC1 C1CN(CCO1)[*:1] CCc1nc(ncc1C(=O)NC1(CCCC1)c1ccccc1)[*:1]
CCc1nc(N2CCOCC2)ncc1C(=O)NC1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] CCc1nc(ncc1C(=O)NC1(CCCC1)[*:1])N1CCOCC1
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)cc2F)cc1 NS(=O)(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(Br)cc1F
COc1cc(F)c([N+](=O)[O-])c(NCCc2nc3ccc(F)cc3n2C)c1 O=[N+]([O-])[*:1] COc1cc(F)c(c(c1)NCCc1nc2ccc(F)cc2n1C)[*:1]
O=C(CN1CSCC1=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(CN1CSCC1=O)OCC(=O)c1c([nH]c2ccccc12)[*:1]
O=C(CN1CSCC1=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 O=C1CSCN1C[*:1] O=C(COC(=O)[*:1])c1c([nH]c2ccccc12)-c1ccccc1
O=C(CN1CSCC1=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 O=C1CSCN1[*:1] O=C(C[*:1])OCC(=O)c1c([nH]c2ccccc12)-c1ccccc1
CC[C@H]1CCC[C@H](NC(=O)NCc2ccccc2Oc2cnccn2)C1 c1cnc(cn1)O[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)NCc1ccccc1[*:1]
CC[C@H]1CCC[C@H](NC(=O)NCc2ccccc2Oc2cnccn2)C1 c1cnc(cn1)[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)NCc1ccccc1O[*:1]
COc1cc(OC)c([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc1OC CC(C)[*:1] COc1cc(OC)c(cc1OC)[C@H]1SCC(O)=Nc2c1c(=O)[nH]n2[*:1]
COc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)ccc1O COc1cc(ccc1O)[*:1] Cc1cc(O)c(cc1Cl)-c1n[nH]c2C(=O)N(Cc3cccnc3)[C@H](c12)[*:1]
COc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)ccc1O c1cncc(c1)[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1cc(Cl)c(C)cc1O
COc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)ccc1O c1cncc(c1)C[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1cc(Cl)c(C)cc1O
COc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)ccc1O Cc1cc(O)c(cc1Cl)[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1Cc1cccnc1)[*:1]
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 COc1ccc(Br)cc1[*:1] O=C(NN=C[*:1])C(=O)Nc1ccccc1C(=O)Nc1ccccc1
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1[*:1]
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)N[*:1]
O=C(NCCc1cccs1)NC[C@H]1CCC[C@@H](O)C1 c1csc(c1)C[*:1] O=C(NC[C@H]1CCC[C@@H](O)C1)NC[*:1]
O=C(NCCc1cccs1)NC[C@H]1CCC[C@@H](O)C1 c1csc(c1)[*:1] O=C(NCC[*:1])NC[C@H]1CCC[C@@H](O)C1
C#CCN(CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] C#CCN(CCN(C)[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(CCN(C)c1ccccc1)[*:1]
C#CCN(CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] CN(CCN([C@@H]1CCS(=O)(=O)C1)[*:1])c1ccccc1
CC(C)OCCCNC(=O)Nc1cccc(I)c1 CC(C)O[*:1] O=C(NCCC[*:1])Nc1cccc(I)c1
CC(C)OCCCNC(=O)Nc1cccc(I)c1 CC(C)OCC[*:1] O=C(NC[*:1])Nc1cccc(I)c1
CC(C)OCCCNC(=O)Nc1cccc(I)c1 CC(C)[*:1] O=C(NCCCO[*:1])Nc1cccc(I)c1
CC(C)OCCCNC(=O)Nc1cccc(I)c1 CC(C)OC[*:1] O=C(NCC[*:1])Nc1cccc(I)c1
CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 CC(C)OC(=O)[C@H](C#N)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1nc2ccccc2nc1[*:1]
CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 CC(C)OC(=O)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1nc2ccccc2nc1[C@@H](C#N)[*:1]
CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1nc2ccccc2nc1[C@@H](C#N)C(=O)O[*:1]
Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3nnc(Cc4ccccc4)s3)CCCC2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)C1(CCCC1)C(=O)Nc1nnc(s1)[*:1]
Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3nnc(Cc4ccccc4)s3)CCCC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Nc1nnc(Cc2ccccc2)s1)C1(CCCC1)S(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3nnc(Cc4ccccc4)s3)CCCC2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)C1(CCCC1)C(=O)Nc1nnc(C[*:1])s1
C[NH2+][C@@H](CCC[C@@H]1CCCO1)c1ncc[nH]1 C1CO[C@@H](C1)[*:1] C[NH2+][C@@H](CCC[*:1])c1ncc[nH]1
C[NH2+][C@@H](CCC[C@@H]1CCCO1)c1ncc[nH]1 c1c[nH]c(n1)[*:1] C[NH2+][C@@H](CCC[C@@H]1CCCO1)[*:1]
COC(=O)[C@H]1CN(Cc2cnc(N(C)C)s2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(Cc2cnc(s2)N(C)C)C[C@@H]1[*:1]
COC(=O)[C@H]1CN(Cc2cnc(N(C)C)s2)C[C@H]1C CN(C)[*:1] COC(=O)[C@H]1CN(Cc2cnc(s2)[*:1])C[C@H]1C
C[C@@]1(C(=O)NCC#Cc2cccc(NS(C)(=O)=O)c2)CC1(Cl)Cl CS(=O)(=O)N[*:1] C[C@]1(CC1(Cl)Cl)C(=O)NCC#Cc1cccc(c1)[*:1]
C[NH2+][C@H](COC(C)C)c1ccsc1 CC(C)[*:1] C[NH2+][C@H](CO[*:1])c1ccsc1
C[NH2+][C@H](COC(C)C)c1ccsc1 CC(C)O[*:1] C[NH2+][C@H](C[*:1])c1ccsc1
COC(=O)c1ccc(OC(=O)CC(C)(C)C)cc1 CC(C)(C)[*:1] COC(=O)c1ccc(cc1)OC(=O)C[*:1]
COC(=O)c1ccc(OC(=O)CC(C)(C)C)cc1 CC(C)(C)C[*:1] COC(=O)c1ccc(cc1)OC(=O)[*:1]
COC(=O)c1ccc(OC(=O)CC(C)(C)C)cc1 COC(=O)[*:1] CC(C)(C)CC(=O)Oc1ccc(cc1)[*:1]
Cc1cccc(OC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 FC(F)(F)[*:1] Cc1cccc(c1)OC(=O)[C@@H]1CCC[C@H](C1)[*:1]
CC[NH+](Cn1c(=O)oc2ccc(C)cc21)C1CCCC1 C1CCC(C1)[*:1] CC[NH+](Cn1c(=O)oc2ccc(C)cc21)[*:1]
O=C([O-])C#Cc1ccncc1Cl O=C([O-])[*:1] Clc1cnccc1C#C[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)NC2CCCCCC2)n1 C1CCCC(CC1)[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)N[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)NC2CCCCCC2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNC(=O)NC1CCCCCC1)C[*:1]
CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(O)cc2)n2ncnc2N1 Oc1ccc(cc1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)Nc1ccccc1Cl)[*:1]
CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(O)cc2)n2ncnc2N1 Clc1ccccc1[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)N[*:1])c1ccc(O)cc1
NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 NC(=O)[*:1] O=S(=O)(NC1CCCCC1)c1ccc(cc1)OC[*:1]
NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 NC(=O)CO[*:1] O=S(=O)(NC1CCCCC1)c1ccc(cc1)[*:1]
NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 NC(=O)C[*:1] O=S(=O)(NC1CCCCC1)c1ccc(cc1)O[*:1]
NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] NC(=O)COc1ccc(cc1)S(=O)(=O)N[*:1]
C[C@H](NC(=O)c1ccccc1OCC(N)=O)c1cccc(C#N)c1 NC(=O)[*:1] C[C@H](NC(=O)c1ccccc1OC[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)c1ccccc1OCC(N)=O)c1cccc(C#N)c1 NC(=O)C[*:1] C[C@H](NC(=O)c1ccccc1O[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)c1ccccc1OCC(N)=O)c1cccc(C#N)c1 NC(=O)CO[*:1] C[C@H](NC(=O)c1ccccc1[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)c1ccccc1OCC(N)=O)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)c1ccccc1OCC(N)=O)[*:1]
CCc1nn(C)cc1C(=O)N[C@H](CC)c1ccncc1 c1cc(ccn1)[*:1] CCc1nn(C)cc1C(=O)N[C@H](CC)[*:1]
COC[C@@H](C)NC(=O)Nc1cccc(Cl)c1OC COC[*:1] COc1c(Cl)cccc1NC(=O)N[C@H](C)[*:1]
COC[C@@H](C)NC(=O)Nc1cccc(Cl)c1OC COC[C@@H](C)[*:1] COc1c(Cl)cccc1NC(=O)N[*:1]
Cc1ccccc1-n1nc(C)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1-n1nc(C)c2c1NC(=O)CS[C@H]2[*:1]
Cc1ccccc1-n1nc(C)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1 Cc1ccccc1[*:1] Cc1nn(c2NC(=O)CS[C@H](c3ccc(Cl)cc3)c12)[*:1]
N#Cc1ccc(-c2noc(CCn3nc4ccccn4c3=O)n2)nc1 N#Cc1ccc(nc1)[*:1] O=c1n(CCc2nc(no2)[*:1])nc2ccccn12
C[C@@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccc(F)cc1F Cn1cc(cn1)[*:1] C[C@@H](NC(=O)c1csc(n1)[*:1])c1ccc(F)cc1F
C[C@@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](NC(=O)c1csc(n1)-c1cnn(C)c1)[*:1]
CCC[C@H]1CCCN(C(=O)c2csc(NC(C)=O)n2)CC1 CC(=O)N[*:1] CCC[C@H]1CCCN(CC1)C(=O)c1csc(n1)[*:1]
CCC[C@H]1CCCN(C(=O)c2csc(NC(C)=O)n2)CC1 CCC[*:1] CC(=O)Nc1nc(cs1)C(=O)N1CCC[C@@H](CC1)[*:1]
CC(=O)Nc1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)ccc1Cl CC(=O)N[*:1] Cc1oc(nc1CC(=O)Nc1ccc(Cl)c(c1)[*:1])-c1ccccc1
CC(=O)Nc1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)ccc1Cl c1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1Cl)NC(=O)Cc1nc(oc1C)[*:1]
COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)c1cc([nH]n1)[*:1]
COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(Cl)cc2Cl)c(OC)c1 COc1ccc(c(c1)OC)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)N[*:1])c1ccc(Cl)cc1Cl
COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(Cl)cc2Cl)c(OC)c1 Clc1ccc(c(Cl)c1)[*:1] COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2[*:1])c(c1)OC
Cc1cc(NC(=O)COc2ccc(S(N)(=O)=O)cc2)no1 Cc1cc(no1)[*:1] NS(=O)(=O)c1ccc(cc1)OCC(=O)N[*:1]
Cc1cc(NC(=O)COc2ccc(S(N)(=O)=O)cc2)no1 NS(=O)(=O)[*:1] Cc1cc(no1)NC(=O)COc1ccc(cc1)[*:1]
CC(C)c1nnc(CCC(=O)N2CC=C(c3ccccc3Cl)CC2)o1 Clc1ccccc1[*:1] CC(C)c1nnc(CCC(=O)N2CC=C(CC2)[*:1])o1
CC(C)c1nnc(CCC(=O)N2CC=C(c3ccccc3Cl)CC2)o1 CC(C)c1nnc(o1)[*:1] O=C(CC[*:1])N1CC=C(CC1)c1ccccc1Cl
CC(C)c1nnc(CCC(=O)N2CC=C(c3ccccc3Cl)CC2)o1 CC(C)[*:1] O=C(CCc1nnc(o1)[*:1])N1CC=C(CC1)c1ccccc1Cl
COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(F)c2)C1 COCC[*:1] Cc1ccc(cc1F)C(=O)N1C[C@@H](CC[C@H]1C)C(=O)N[*:1]
COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(F)c2)C1 Cc1ccc(cc1F)[*:1] COCCNC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)[*:1]
COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(F)c2)C1 COCCNC(=O)[*:1] Cc1ccc(cc1F)C(=O)N1C[C@@H](CC[C@H]1C)[*:1]
COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C)c(F)c2)C1 COC[*:1] Cc1ccc(cc1F)C(=O)N1C[C@@H](CC[C@H]1C)C(=O)NC[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1 CCNC(=O)[*:1] O=C(Cc1cccc2ccccc12)N1CCC[C@@H](C1)[*:1]
O=C(c1sc(=S)n2c1nc([O-])c1cc(Cl)ccc12)N1CCOCC1 O=C(N1CCOCC1)[*:1] [O-]c1nc2c(sc(=S)n2c2ccc(Cl)cc12)[*:1]
CN(C1CCCCC1)[C@@H](C[NH3+])CC(=O)NC1CC1 C1CC1[*:1] CN(C1CCCCC1)[C@@H](C[NH3+])CC(=O)N[*:1]
CN(C1CCCCC1)[C@@H](C[NH3+])CC(=O)NC1CC1 C1CCC(CC1)[*:1] CN([C@@H](C[NH3+])CC(=O)NC1CC1)[*:1]
CN(C1CCCCC1)[C@@H](C[NH3+])CC(=O)NC1CC1 O=C(NC1CC1)[*:1] CN(C1CCCCC1)[C@@H](C[NH3+])C[*:1]
CCC(CC)NC(=O)N(C)Cc1cccs1 CCC(CC)[*:1] CN(Cc1cccs1)C(=O)N[*:1]
CCC(CC)NC(=O)N(C)Cc1cccs1 c1csc(c1)[*:1] CCC(CC)NC(=O)N(C)C[*:1]
Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)no1 Cc1cc(no1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)no1 CC(C)[*:1] Cc1cc(no1)NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)no1 CC(C)c1ccc(cc1)[*:1] Cc1cc(no1)NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
O=C(NC1CCC(CO)CC1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(NC1CCC(CO)CC1)c1nc(n2ccccc12)[*:1]
O=C(NCCCn1nnc2ccccc21)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(NCCCn1nnc2ccccc21)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(NCCCn1nnc2ccccc21)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 O=C(NCCCn1nnc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCCn1nnc2ccccc21)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc2c(c1)nnn2[*:1] O=C(NCCC[*:1])[C@@H]1CC(=O)N(Cc2ccccn2)C1
CNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC O=[N+]([O-])[*:1] CNS(=O)(=O)c1cc(ccc1OC)C(=O)Nc1cccc(c1C)[*:1]
CNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC CNS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cccc(c1C)[N+](=O)[O-]
COc1cccc([C@H](C)CC(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1 Oc1cccc(c1)[*:1] COc1cccc(c1)[C@H](C)CC(=O)Nc1cnc(nc1)[*:1]
COc1cccc([C@H](C)CC(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1 COc1cccc(c1)[*:1] C[C@H](CC(=O)Nc1cnc(nc1)-c1cccc(O)c1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(Cl)o1 Clc1ccc(o1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)[*:1]
CCO[C@@H]1CCCN(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)C1 CCO[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)N1CCC[C@H](C1)[*:1]
CCO[C@@H]1CCCN(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)C1 CC[C@H](C)[*:1] CCO[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1)O[*:1]
CCO[C@@H]1CCCN(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)C1 CC[C@H](C)O[*:1] CCO[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
[NH3+][C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H]1CN(C[C@H]1[*:1])C(=O)OCC1c2ccccc2-c2ccccc21
CCc1ccc([C@@H](CO)NC(=O)c2cc3c([nH]c2=O)CCCC3)cc1 CCc1ccc(cc1)[*:1] O=C(N[C@H](CO)[*:1])c1cc2CCCCc2[nH]c1=O
C=C(Cl)CSc1nnc(COc2ccccc2Cl)n1C C=C(Cl)C[*:1] Cn1c(COc2ccccc2Cl)nnc1S[*:1]
C=C(Cl)CSc1nnc(COc2ccccc2Cl)n1C C=C(Cl)[*:1] Cn1c(COc2ccccc2Cl)nnc1SC[*:1]
C=C(Cl)CSc1nnc(COc2ccccc2Cl)n1C C=C(Cl)CS[*:1] Cn1c(COc2ccccc2Cl)nnc1[*:1]
O=C(/C=C/c1ccccc1)N1CCN(C2=NC=NC3=NC=N[C@@H]32)CC1 c1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCN(CC1)C1=NC=NC2=NC=N[C@@H]21
O=C(/C=C/c1ccccc1)N1CCN(C2=NC=NC3=NC=N[C@@H]32)CC1 C(=C[*:1])c1ccccc1 O=C(N1CCN(CC1)C1=NC=NC2=NC=N[C@@H]21)[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=S(=O)(Nc1cccc(c1)-c1ccc(nn1)N1CCOCC1)[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c(C)c1 C1CN(CCO1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1cccc(c1)-c1ccc(nn1)[*:1]
CC[C@@H](C)n1ncc2[nH]c(-c3cnn(C)c3)nc21 Cn1cc(cn1)[*:1] CC[C@@H](C)n1ncc2[nH]c(nc21)[*:1]
CC[C@@H](C)n1ncc2[nH]c(-c3cnn(C)c3)nc21 CC[C@@H](C)[*:1] Cn1cc(cn1)-c1nc2c(cnn2[*:1])[nH]1
CC[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)CCCO OCCC[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)[*:1]
CC[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)CCCO C[C@@H](CCCO)[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)N[*:1]
CC[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)CCCO OCC[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[*:1]
CC1=C(/C=C/C(=O)OCC2=NC(=O)[C@H]3SC=CC3=N2)[C@@H](C)N(c2ccccc2)N1 c1ccc(cc1)[*:1] CC1NN([C@H](C)C=1/C=C/C(=O)OCC1=NC(=O)[C@H]2SC=CC2=N1)[*:1]
O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] c1ccc(C[NH+]2CCC(CC2)Oc2ccc(cc2)[*:1])nc1
O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCCCCC1 c1ccc(nc1)[*:1] O=C(c1ccc(cc1)OC1CC[NH+](CC1)C[*:1])N1CCCCCC1
O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCCCCC1 c1ccc(C[*:1])nc1 O=C(c1ccc(cc1)OC1CC[NH+](CC1)[*:1])N1CCCCCC1
COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H](O)c1ccccc1Cl COC(=O)[*:1] O=C(NC[C@H](O)c1ccccc1Cl)[C@@H]1C[C@H]1[*:1]
C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccn1 c1ccc(nc1)[*:1] C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[*:1]
C[C@@H](Cl)[C@H](C)C1CCCC1 C[C@@H](Cl)[*:1] C[C@H](C1CCCC1)[*:1]
NC(=O)CCSc1ccccc1NC(=O)Cc1cccc(F)c1 NC(=O)C[*:1] O=C(Cc1cccc(F)c1)Nc1ccccc1SC[*:1]
NC(=O)CCSc1ccccc1NC(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] NC(=O)CCSc1ccccc1NC(=O)C[*:1]
NC(=O)CCSc1ccccc1NC(=O)Cc1cccc(F)c1 NC(=O)[*:1] O=C(Cc1cccc(F)c1)Nc1ccccc1SCC[*:1]
NC(=O)CCSc1ccccc1NC(=O)Cc1cccc(F)c1 NC(=O)CC[*:1] O=C(Cc1cccc(F)c1)Nc1ccccc1S[*:1]
NC(=O)CCSc1ccccc1NC(=O)Cc1cccc(F)c1 NC(=O)CCS[*:1] O=C(Cc1cccc(F)c1)Nc1ccccc1[*:1]
CCCCN(C)C(=O)NCc1ccc(C[NH+](C)C)cc1 CCCC[*:1] CN(C(=O)NCc1ccc(cc1)C[NH+](C)C)[*:1]
CCCCN(C)C(=O)NCc1ccc(C[NH+](C)C)cc1 CCC[*:1] CN(C[*:1])C(=O)NCc1ccc(cc1)C[NH+](C)C
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2cccc(Br)c2)s1 Brc1cccc(c1)[*:1] COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(s1)[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2cccc(Br)c2)s1 COC(=O)[*:1] O[C@@H]1C[C@H](N(Cc2ccc(s2)-c2cccc(Br)c2)C1)[*:1]
COc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2ccccc2F)cc1OC Fc1ccccc1C[*:1] COc1ccc(cc1OC)NC(=O)[C@H](C)[S@](=O)[*:1]
COc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2ccccc2F)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)NC(=O)[C@H](C)[S@](=O)C[*:1]
COc1cccc(CNC(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn23)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-c1ccc2nnc(SCC(=O)NC[*:1])n2n1
COc1cccc(CNC(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn23)c1 COc1cccc(c1)C[*:1] Cc1ccc(cc1)-c1ccc2nnc(SCC(=O)N[*:1])n2n1
COc1cccc(CNC(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn23)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)CSc1nnc2ccc(nn12)[*:1]
CC(C)(CNC(=O)c1csc2c1CCCC2)C(N)=O CC(C)(C(N)=O)[*:1] O=C(NC[*:1])c1csc2CCCCc12
CC(C)(CNC(=O)c1csc2c1CCCC2)C(N)=O NC(=O)[*:1] CC(C)(CNC(=O)c1csc2CCCCc12)[*:1]
CCCCCn1nc(C(=O)N[C@@H](C#N)c2ccccc2C)c2ccccc2c1=O CCCCC[*:1] Cc1ccccc1[C@H](C#N)NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
CCCCCn1nc(C(=O)N[C@@H](C#N)c2ccccc2C)c2ccccc2c1=O CCC[*:1] Cc1ccccc1[C@H](C#N)NC(=O)c1nn(CC[*:1])c(=O)c2ccccc12
CCCCCn1nc(C(=O)N[C@@H](C#N)c2ccccc2C)c2ccccc2c1=O Cc1ccccc1[*:1] CCCCCn1nc(C(=O)N[C@@H](C#N)[*:1])c2ccccc2c1=O
CCCCCn1nc(C(=O)N[C@@H](C#N)c2ccccc2C)c2ccccc2c1=O CCCC[*:1] Cc1ccccc1[C@H](C#N)NC(=O)c1nn(C[*:1])c(=O)c2ccccc12
O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)Nc1ccc(Cl)cc1 c1ccc2c(c1)CCN2[*:1] O=C(NC[C@H](c1ccco1)[*:1])Nc1ccc(Cl)cc1
O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)Nc1ccc(Cl)cc1 c1coc(c1)[*:1] O=C(NC[C@H](N1CCc2ccccc21)[*:1])Nc1ccc(Cl)cc1
O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)N[*:1]
CC(=O)Nc1nc2c(s1)C[NH2+]C2 CC(=O)N[*:1] C1[NH2+]Cc2sc(nc21)[*:1]
COc1ccc(OC)c(CN(C(=O)c2cc(C)n(C3CC3)c2C)C2CC2)c1 C1CC1[*:1] COc1ccc(OC)c(c1)CN(C(=O)c1cc(C)n(c1C)C1CC1)[*:1]
COc1ccc(OC)c(CN(C(=O)c2cc(C)n(C3CC3)c2C)C2CC2)c1 C1CC1[*:1] COc1ccc(OC)c(c1)CN(C(=O)c1cc(C)n(c1C)[*:1])C1CC1
C[C@H]1C[C@H]1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 Fc1cccc(Cl)c1[*:1] C[C@H]1C[C@H]1NC(=O)NC[C@@H](N1CCO[C@H](C)C1)[*:1]
C[C@H]1C[C@H]1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 C[C@H]1C[C@@H]1[*:1] C[C@@H]1CN(CCO1)[C@@H](CNC(=O)N[*:1])c1c(F)cccc1Cl
C[C@H]1C[C@H]1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 C[C@@H]1CN(CCO1)[*:1] C[C@H]1C[C@H]1NC(=O)NC[C@@H](c1c(F)cccc1Cl)[*:1]
C[C@H]1C[C@H]1NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 C[C@H]1C[C@H]1NC(=O)N[*:1] C[C@@H]1CN(CCO1)[C@@H](C[*:1])c1c(F)cccc1Cl
O=C([C@@H]1C=C(COc2ccccc2)N=N1)N1CCC(Oc2cccnc2)CC1 c1cncc(c1)O[*:1] O=C([C@@H]1C=C(COc2ccccc2)N=N1)N1CCC(CC1)[*:1]
O=C([C@@H]1C=C(COc2ccccc2)N=N1)N1CCC(Oc2cccnc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1C=C(CO[*:1])N=N1)N1CCC(CC1)Oc1cccnc1
O=C([C@@H]1C=C(COc2ccccc2)N=N1)N1CCC(Oc2cccnc2)CC1 c1ccc(cc1)O[*:1] O=C([C@@H]1C=C(C[*:1])N=N1)N1CCC(CC1)Oc1cccnc1
O=C([C@@H]1C=C(COc2ccccc2)N=N1)N1CCC(Oc2cccnc2)CC1 c1ccc(cc1)OC[*:1] O=C([C@@H]1C=C(N=N1)[*:1])N1CCC(CC1)Oc1cccnc1
O=C([C@@H]1C=C(COc2ccccc2)N=N1)N1CCC(Oc2cccnc2)CC1 c1cncc(c1)[*:1] O=C([C@@H]1C=C(COc2ccccc2)N=N1)N1CCC(CC1)O[*:1]
O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccc(F)cc3)ccc2c1 O=[N+]([O-])[*:1] O[C@H](CNc1ccc2cc(ccc2n1)[*:1])c1ccc(F)cc1
O=[N+]([O-])c1ccc2nc(NC[C@@H](O)c3ccc(F)cc3)ccc2c1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc2nc(ccc2c1)NC[C@@H](O)[*:1]
C/C(=N/NC(=O)C1=NNC(c2ccccc2)(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C(=N/NC(=O)C1CC(NN=1)(c1ccccc1)c1ccccc1)c1cccc(c1)[*:1]
C/C(=N/NC(=O)C1=NNC(c2ccccc2)(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC(=NNC(=O)C1CC(NN=1)(c1ccccc1)c1ccccc1)[*:1]
C/C(=N/NC(=O)C1=NNC(c2ccccc2)(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] C/C(=N/NC(=O)C1CC(NN=1)(c1ccccc1)[*:1])c1cccc(c1)[N+](=O)[O-]
COc1ccc2c(ccn2CC(=O)NNc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] COc1ccc2c(ccn2CC(=O)NN[*:1])c1
O=C([O-])CSc1ncnc2sc3c(c12)CCC3 O=C([O-])CS[*:1] c1nc(c2c3CCCc3sc2n1)[*:1]
O=C([O-])CSc1ncnc2sc3c(c12)CCC3 O=C([O-])C[*:1] c1nc(S[*:1])c2c3CCCc3sc2n1
O=C([O-])CSc1ncnc2sc3c(c12)CCC3 O=C([O-])[*:1] c1nc(SC[*:1])c2c3CCCc3sc2n1
CCOC(=O)c1cnn2ccc(NC(=O)c3ccccc3Br)cc12 Brc1ccccc1[*:1] CCOC(=O)c1cnn2ccc(cc12)NC(=O)[*:1]
CCOC(=O)c1cnn2ccc(NC(=O)c3ccccc3Br)cc12 CCOC(=O)[*:1] O=C(Nc1ccn2ncc(c2c1)[*:1])c1ccccc1Br
C[C@@H]1CCCC[C@@H]1NC(=O)Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Cn1nnc(n1)-c1ccc(cc1)[*:1]
CC(C)n1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nnc1N(C)C CN(C)[*:1] CC(C)n1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1cccc(C#N)c1
CC(C)n1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nnc1N(C)C CC(C)[*:1] C[C@H](Sc1nnc(N(C)C)n1[*:1])C(=O)Nc1cccc(C#N)c1
CC(C)n1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nnc1N(C)C N#Cc1cccc(c1)[*:1] CC(C)n1c(nnc1N(C)C)S[C@@H](C)C(=O)N[*:1]
CCc1nsc(N2CCN(Cc3ccc(Cl)o3)CC2)n1 Clc1ccc(o1)[*:1] CCc1nsc(n1)N1CCN(CC1)C[*:1]
CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ncc(C)s1 Cc1cnc(s1)[*:1] CCCC(=O)N1CCCC[C@H]1C(=O)N[*:1]
CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ncc(C)s1 CCC[*:1] Cc1cnc(NC(=O)[C@@H]2CCCCN2C(=O)[*:1])s1
CCc1ccc(O)c(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)c1 NC(=O)N[*:1] CCc1ccc(O)c(c1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
N#C/C(=C\c1cccn1-c1ccc(O)cc1)c1ccc(Br)cc1 Oc1ccc(cc1)[*:1] N#C/C(=C\c1cccn1[*:1])c1ccc(Br)cc1
N#C/C(=C\c1cccn1-c1ccc(O)cc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] N#C/C(=C\c1cccn1-c1ccc(O)cc1)[*:1]
Cc1ccc(-c2noc(CSCc3nc(C(C)(C)C)no3)n2)cc1F Cc1ccc(cc1F)[*:1] CC(C)(C)c1noc(CSCc2nc(no2)[*:1])n1
Cc1ccc(-c2noc(CSCc3nc(C(C)(C)C)no3)n2)cc1F CC(C)(C)[*:1] Cc1ccc(cc1F)-c1noc(CSCc2nc(no2)[*:1])n1
Cc1ccc2nc(CCCl)n([C@H]3CCCOC3)c2c1 C1COC[C@H](C1)[*:1] Cc1ccc2nc(CCCl)n(c2c1)[*:1]
Cc1ccc2nc(CCCl)n([C@H]3CCCOC3)c2c1 ClCC[*:1] Cc1ccc2nc(n(c2c1)[C@H]1CCCOC1)[*:1]
Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(CCO)CC1 OCC[*:1] Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2[N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])N(C)[*:1]
Cc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)N[*:1] CN(Cc1ccccc1)c1ncnc(c1[N+](=O)[O-])[*:1]
Cc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2[N+](=O)[O-])cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])N(C)C[*:1]
Cc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)Nc1ncnc(c1[*:1])N(C)Cc1ccccc1
Cc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] CN(Cc1ccccc1)c1ncnc(N[*:1])c1[N+](=O)[O-]
CC(C)(C)[C@@H]1CCC2=C3C(=O)N=C(CCC(=O)NCc4cccs4)N=C3S[C@@H]2C1 O=C(NCc1cccs1)[*:1] CC(C)(C)[C@@H]1CCC2=C3C(=O)N=C(CC[*:1])N=C3S[C@@H]2C1
CC(C)(C)[C@@H]1CCC2=C3C(=O)N=C(CCC(=O)NCc4cccs4)N=C3S[C@@H]2C1 CC(C)(C)[*:1] O=C(CCC1=NC(=O)C2C(=N1)S[C@@H]1C[C@@H](CCC=21)[*:1])NCc1cccs1
CC(C)(C)[C@@H]1CCC2=C3C(=O)N=C(CCC(=O)NCc4cccs4)N=C3S[C@@H]2C1 c1csc(c1)[*:1] CC(C)(C)[C@@H]1CCC2=C3C(=O)N=C(CCC(=O)NC[*:1])N=C3S[C@@H]2C1
CC(C)(C)[C@@H]1CCC2=C3C(=O)N=C(CCC(=O)NCc4cccs4)N=C3S[C@@H]2C1 c1csc(c1)C[*:1] CC(C)(C)[C@@H]1CCC2=C3C(=O)N=C(CCC(=O)N[*:1])N=C3S[C@@H]2C1
Cc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)c1cccc[nH+]1)N[*:1]
CC(=O)N(CCC(=O)NC[C@]1(O)CCSC1)Cc1ccccc1 c1ccc(cc1)C[*:1] CC(=O)N(CCC(=O)NC[C@]1(O)CCSC1)[*:1]
CC(=O)N(CCC(=O)NC[C@]1(O)CCSC1)Cc1ccccc1 c1ccc(cc1)[*:1] CC(=O)N(CCC(=O)NC[C@]1(O)CCSC1)C[*:1]
COC1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 CC(C)(C)[*:1] COC1CCN(CC1)C(=O)Cc1cccc(c1)NC(=O)O[*:1]
COC1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 CC(C)(C)OC(=O)N[*:1] COC1CCN(CC1)C(=O)Cc1cccc(c1)[*:1]
O=C(c1cccc(N2CCCC2=O)c1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 C1CCC(CC1)[*:1] O=C(c1cccc(c1)N1CCCC1=O)N1CC(=O)N(C[C@H](C1)OCc1ccccn1)[*:1]
O=C(c1cccc(N2CCCC2=O)c1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 O=C1CCCN1c1cccc(c1)[*:1] O=C1CN(C[C@@H](CN1C1CCCCC1)OCc1ccccn1)C(=O)[*:1]
O=C(c1cccc(N2CCCC2=O)c1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 c1ccc(CO[*:1])nc1 O=C(c1cccc(c1)N1CCCC1=O)N1CC(=O)N(C[C@@H](C1)[*:1])C1CCCCC1
O=C(c1cccc(N2CCCC2=O)c1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(c1cccc(c1)N1CCCC1=O)N1CC(=O)N(C[C@H](C1)OC[*:1])C1CCCCC1
O=C(c1cccc(N2CCCC2=O)c1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 O=C1CCCN1[*:1] O=C(c1cccc(c1)[*:1])N1CC(=O)N(C[C@H](C1)OCc1ccccn1)C1CCCCC1
O=C(c1cccc(N2CCCC2=O)c1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 c1ccc(C[*:1])nc1 O=C(c1cccc(c1)N1CCCC1=O)N1CC(=O)N(C[C@H](C1)O[*:1])C1CCCCC1
CC[NH+](CCn1cccn1)CC1CC[NH2+]CC1 c1cnn(c1)[*:1] CC[NH+](CC[*:1])CC1CC[NH2+]CC1
CC[C@H](C)c1ccc(O[C@H]2O[C@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)cc1 c1ccc(cc1)[*:1] CC[C@H](C)c1ccc(cc1)O[C@H]1O[C@H]2CO[C@H](O[C@@H]2[C@@H](O)[C@H]1NC(C)=O)[*:1]
CC[C@H](C)c1ccc(O[C@H]2O[C@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)cc1 CC[C@H](C)[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@H](OC[C@@H]2O[C@@H]1Oc1ccc(cc1)[*:1])c1ccccc1
CC[C@H](C)c1ccc(O[C@H]2O[C@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)cc1 CC(=O)N[*:1] CC[C@H](C)c1ccc(cc1)O[C@H]1O[C@H]2CO[C@@H](O[C@@H]2[C@@H](O)[C@@H]1[*:1])c1ccccc1
CC[C@H](C)c1ccc(O[C@H]2O[C@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)cc1 CC[C@H](C)c1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@H](OC[C@@H]2O[C@@H]1O[*:1])c1ccccc1
Cc1ccc(NC(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC(=O)O[C@@H]4CC[C@@H]3[C@]2(C)CO)cc1 Cc1ccc(cc1)[*:1] C[C@]12CC[C@@H](OC(=O)N[*:1])[C@@](C)(CO)[C@H]1CC[C@H]1OC(=O)C[C@H]12
CCOc1ccc(C(=O)N2Cc3nn(-c4ccc(C)cc4C)c(-n4cccc4)c3C2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)N1Cc2nn(-c3ccc(C)cc3C)c(c2C1)-n1cccc1
CCOc1ccc(C(=O)N2Cc3nn(-c4ccc(C)cc4C)c(-n4cccc4)c3C2)cc1OCC c1ccn(c1)[*:1] CCOc1ccc(cc1OCC)C(=O)N1Cc2nn(-c3ccc(C)cc3C)c(c2C1)[*:1]
CCOc1ccc(C(=O)N2Cc3nn(-c4ccc(C)cc4C)c(-n4cccc4)c3C2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)N1Cc2nn(-c3ccc(C)cc3C)c(c2C1)-n1cccc1
CCOc1ccc(C(=O)N2Cc3nn(-c4ccc(C)cc4C)c(-n4cccc4)c3C2)cc1OCC Cc1ccc(c(C)c1)[*:1] CCOc1ccc(cc1OCC)C(=O)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccccc1Cl Clc1ccccc1[*:1] O=C1C[C@H](C(=O)N1[*:1])N1CCC2(CC1)OCCO2
CS[C@@H](C)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CS[C@@H](C)C(=O)N1CCC(CC1)C(=O)NC[*:1]
CC(C)Cn1c([O-])nc2c(C(=O)N3CCc4ccccc4C3)snc2c1=O CC(C)C[*:1] O=C(c1snc2c(=O)n(c([O-])nc12)[*:1])N1CCc2ccccc2C1
CC(C)Cn1c([O-])nc2c(C(=O)N3CCc4ccccc4C3)snc2c1=O CC(C)[*:1] O=C(c1snc2c(=O)n(C[*:1])c([O-])nc12)N1CCc2ccccc2C1
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(Br)ccc1Br Brc1ccc(Br)c(c1)[*:1] CCN(Cc1ccc2OCOc2c1)C(=O)N[*:1]
Cc1nc(C)n(-c2ccc(C(=O)N(C3CCCC3)C3CC3)cc2)n1 Cc1nc(C)n(n1)[*:1] O=C(c1ccc(cc1)[*:1])N(C1CCCC1)C1CC1
Cc1nc(C)n(-c2ccc(C(=O)N(C3CCCC3)C3CC3)cc2)n1 C1CCC(C1)[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)N(C1CC1)[*:1]
Cc1nc(C)n(-c2ccc(C(=O)N(C3CCCC3)C3CC3)cc2)n1 C1CC1[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)N(C1CCCC1)[*:1]
CCCc1cc([O-])nc(SCC2=NC(=O)C3=C4CC[C@@H](C)C[C@H]4SC3=N2)n1 CCC[*:1] C[C@@H]1CCC2=C3C(=O)N=C(CSc4nc([O-])cc(n4)[*:1])N=C3S[C@@H]2C1
CCc1nnc(NC(=O)Nc2ccc3oc(COC)nc3c2)s1 CCc1nnc(s1)[*:1] COCc1nc2cc(ccc2o1)NC(=O)N[*:1]
CCc1nnc(NC(=O)Nc2ccc3oc(COC)nc3c2)s1 COC[*:1] CCc1nnc(NC(=O)Nc2ccc3oc(nc3c2)[*:1])s1
N#CCSc1ccccc1NC(=O)COc1ccccc1C=O N#CCS[*:1] O=Cc1ccccc1OCC(=O)Nc1ccccc1[*:1]
N#CCSc1ccccc1NC(=O)COc1ccccc1C=O N#CC[*:1] O=Cc1ccccc1OCC(=O)Nc1ccccc1S[*:1]
O=C(NC[C@@H]1CCCO1)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 Fc1cccc(c1)[*:1] O=C(NC[C@@H]1CCCO1)c1ccc(cc1)Nc1cc(ncn1)[*:1]
O=C(NC[C@@H]1CCCO1)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 O=C(NC[C@@H]1CCCO1)[*:1] Fc1cccc(c1)-c1cc(ncn1)Nc1ccc(cc1)[*:1]
Nc1nnc(SC(Sc2nnc(N)s2)C(=O)c2ccccc2)s1 Nc1nnc(S[*:1])s1 Nc1nnc(SC(C(=O)c2ccccc2)[*:1])s1
Nc1nnc(SC(Sc2nnc(N)s2)C(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] Nc1nnc(SC(Sc2nnc(N)s2)C(=O)[*:1])s1
Nc1nnc(SC(Sc2nnc(N)s2)C(=O)c2ccccc2)s1 Nc1nnc(s1)[*:1] Nc1nnc(SC(S[*:1])C(=O)c2ccccc2)s1
CC[C@@H](C)NC(=O)[C@@H](C)N1CCOC(C)(C)C1 CC[C@@H](C)[*:1] C[C@H](C(=O)N[*:1])N1CCOC(C)(C)C1
Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 Cc1cc(Br)cc(C)c1[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)C(=O)N1CCOCC1
Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 O=C(N1CCOCC1)[*:1] Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(I)cc2)cc1 CC(C)[*:1] O=C(Nc1ccc(I)cc1)c1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(I)cc2)cc1 CC(C)NS(=O)(=O)[*:1] O=C(Nc1ccc(I)cc1)c1ccc(cc1)[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(I)cc2)cc1 Ic1ccc(cc1)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@H]1CCCN(C(=O)c2cccnc2)C1 CS(=O)(=O)[*:1] O=C(c1cccnc1)N1CCC[C@@H](C1)c1nc(ncc1[*:1])-c1ccncc1
CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@H]1CCCN(C(=O)c2cccnc2)C1 c1cncc(c1)[*:1] CS(=O)(=O)c1cnc(nc1[C@H]1CCCN(C1)C(=O)[*:1])-c1ccncc1
CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@H]1CCCN(C(=O)c2cccnc2)C1 c1cc(ccn1)[*:1] CS(=O)(=O)c1cnc(nc1[C@H]1CCCN(C1)C(=O)c1cccnc1)[*:1]
O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC[C@H]1c1cccs1 O=S(=O)(N1CCCCCC1)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCC[C@H]1c1cccs1
O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(/C=C/c1ccc(cc1)S(=O)(=O)N1CCCCCC1)N1CCC[C@@H]1[*:1]
CC(C)(C)Oc1ccc(NC(=O)C(=O)NOCc2ccccc2)cc1 CC(C)(C)O[*:1] O=C(NOCc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)Oc1ccc(NC(=O)C(=O)NOCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)(C)Oc1ccc(cc1)NC(=O)C(=O)NO[*:1]
CC(C)(C)Oc1ccc(NC(=O)C(=O)NOCc2ccccc2)cc1 CC(C)(C)[*:1] O=C(NOCc1ccccc1)C(=O)Nc1ccc(cc1)O[*:1]
CC(C)(C)Oc1ccc(NC(=O)C(=O)NOCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)(C)Oc1ccc(cc1)NC(=O)C(=O)NOC[*:1]
CO[C@@H](C)C(=O)Nc1cc(-c2ccccc2Br)n[nH]1 CO[C@@H](C)[*:1] O=C(Nc1cc(n[nH]1)-c1ccccc1Br)[*:1]
Cn1ccnc1S/C=C\C(=O)c1ccc(Br)cc1 Cn1ccnc1[*:1] O=C(/C=C\S[*:1])c1ccc(Br)cc1
O=C(NCCCc1nc2ccccc2s1)c1cccc(F)n1 Fc1cccc(n1)[*:1] O=C(NCCCc1nc2ccccc2s1)[*:1]
O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1ccc(F)cc1 Clc1ccccc1C[*:1] O=C(Nc1nnc(S[*:1])s1)c1ccc(F)cc1
O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(SCc2ccccc2Cl)s1)[*:1]
O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1ccc(F)cc1 Clc1ccccc1[*:1] O=C(Nc1nnc(SC[*:1])s1)c1ccc(F)cc1
COc1cc(CN(C)C(=O)[C@]2(C)CC2(Cl)Cl)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])CN(C)C(=O)[C@]1(C)CC1(Cl)Cl
COc1cc(CN(C)C(=O)[C@]2(C)CC2(Cl)Cl)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])CN(C)C(=O)[C@]1(C)CC1(Cl)Cl
COc1cc(CN(C)C(=O)[C@]2(C)CC2(Cl)Cl)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])CN(C)C(=O)[C@]1(C)CC1(Cl)Cl
CCC(CC)(CC)[NH2+]Cc1noc(C(C)(C)C)n1 CC(C)(C)[*:1] CCC(CC)(CC)[NH2+]Cc1noc(n1)[*:1]
CN(C)c1ncccc1C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 FC(F)(F)[*:1] CN(C)c1ncccc1C(=O)N(Cc1ccccc1[*:1])C1CC1
CN(C)c1ncccc1C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 CN(C)[*:1] O=C(c1cccnc1[*:1])N(Cc1ccccc1C(F)(F)F)C1CC1
CN(C)c1ncccc1C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 C1CC1[*:1] CN(C)c1ncccc1C(=O)N(Cc1ccccc1C(F)(F)F)[*:1]
COC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1[NH3+] COC(=O)[*:1] [NH3+][C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1[*:1]
Cc1ccccc1[C@@H](CC(=O)NCCC(=O)N1CCCC1)NC(N)=O NC(=O)N[*:1] Cc1ccccc1[C@@H](CC(=O)NCCC(=O)N1CCCC1)[*:1]
Cc1ccccc1[C@@H](CC(=O)NCCC(=O)N1CCCC1)NC(N)=O Cc1ccccc1[*:1] NC(=O)N[C@H](CC(=O)NCCC(=O)N1CCCC1)[*:1]
Cc1ccccc1[C@@H](CC(=O)NCCC(=O)N1CCCC1)NC(N)=O O=C(N1CCCC1)[*:1] Cc1ccccc1[C@@H](CC(=O)NCC[*:1])NC(N)=O
Cc1ccccc1[C@@H](CC(=O)NCCC(=O)N1CCCC1)NC(N)=O O=C(C[*:1])N1CCCC1 Cc1ccccc1[C@@H](CC(=O)NC[*:1])NC(N)=O
COC(=O)C1(NC(=O)Cc2csc(-c3cccnc3)n2)CCCC1 COC(=O)[*:1] O=C(Cc1csc(n1)-c1cccnc1)NC1(CCCC1)[*:1]
COC(=O)C1(NC(=O)Cc2csc(-c3cccnc3)n2)CCCC1 c1cncc(c1)[*:1] COC(=O)C1(CCCC1)NC(=O)Cc1csc(n1)[*:1]
COc1c(NC(=O)Nc2cccc(C(=O)N3CCCC3)c2)c(C)nn1C O=C(N1CCCC1)[*:1] COc1c(NC(=O)Nc2cccc(c2)[*:1])c(C)nn1C
CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] CN(C(=O)CSc1nnc(-c2ccco2)n1[*:1])C1CC1
CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)C1CC1 c1coc(c1)[*:1] CN(C(=O)CSc1nnc(n1Cc1ccccc1)[*:1])C1CC1
CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)C1CC1 CN(C(=O)C[*:1])C1CC1 c1ccc(cc1)Cn1c(nnc1-c1ccco1)S[*:1]
CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] CN(C(=O)CSc1nnc(-c2ccco2)n1C[*:1])C1CC1
CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)C1CC1 C1CC1[*:1] CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)[*:1]
CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)C1CC1 CN(C(=O)[*:1])C1CC1 c1ccc(cc1)Cn1c(nnc1-c1ccco1)SC[*:1]
Cc1n[nH]c(=S)n1CCNC(=O)CCOc1ccccc1F Fc1ccccc1[*:1] Cc1n[nH]c(=S)n1CCNC(=O)CCO[*:1]
Cc1n[nH]c(=S)n1CCNC(=O)CCOc1ccccc1F Cc1n[nH]c(=S)n1[*:1] O=C(CCOc1ccccc1F)NCC[*:1]
Cc1cc(CNC(=O)CCOc2ccc([N+](=O)[O-])cc2)c(C)o1 O=[N+]([O-])[*:1] Cc1cc(CNC(=O)CCOc2ccc(cc2)[*:1])c(C)o1
Cc1cc(CNC(=O)CCOc2ccc([N+](=O)[O-])cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(CCOc1ccc(cc1)[N+](=O)[O-])NC[*:1]
CN(C)C(=O)NCC(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 Fc1ccc(cc1F)[*:1] CN(C)C(=O)NCC(=O)N1CCc2[nH]nc(c2C1)[*:1]
CN(C)C(=O)NCC(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 CN(C)C(=O)NC[*:1] O=C(N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)[*:1]
CN(C)C(=O)NCC(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 CN(C)C(=O)N[*:1] O=C(C[*:1])N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
CSc1ccc(CNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 CSc1ccc(cc1)[*:1] O=C(NC(=S)NC[*:1])c1ccc(cc1)[N+](=O)[O-]
CSc1ccc(CNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CSc1ccc(cc1)CNC(=S)NC(=O)c1ccc(cc1)[*:1]
Cc1csc(NC(=O)NCc2ccc(Cn3cncn3)cc2)n1 c1ncn(n1)[*:1] Cc1csc(n1)NC(=O)NCc1ccc(cc1)C[*:1]
Cc1csc(NC(=O)NCc2ccc(Cn3cncn3)cc2)n1 c1ncn(C[*:1])n1 Cc1csc(n1)NC(=O)NCc1ccc(cc1)[*:1]
Cc1csc(NC(=O)NCc2ccc(Cn3cncn3)cc2)n1 Cc1csc(n1)[*:1] O=C(NCc1ccc(cc1)Cn1cncn1)N[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cnc(N)nc2C)C1 COCC[*:1] Cc1nc(N)ncc1C(=O)N1CC[C@@H](C1)c1c(sc2ccccc12)C(=O)N[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cnc(N)nc2C)C1 COCCNC(=O)[*:1] Cc1nc(N)ncc1C(=O)N1CC[C@@H](C1)c1c(sc2ccccc12)[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cnc(N)nc2C)C1 COC[*:1] Cc1nc(N)ncc1C(=O)N1CC[C@@H](C1)c1c(sc2ccccc12)C(=O)NC[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cnc(N)nc2C)C1 Cc1nc(N)ncc1[*:1] COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C1)C(=O)[*:1]
Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)cn2CC(=O)N2CCOCC2)n1 Cc1ccc(cc1C)[*:1] Cc1csc(n1)-c1cc(cn1CC(=O)N1CCOCC1)S(=O)(=O)N[*:1]
Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)cn2CC(=O)N2CCOCC2)n1 Cc1csc(n1)[*:1] Cc1ccc(cc1C)NS(=O)(=O)c1cc(n(c1)CC(=O)N1CCOCC1)[*:1]
Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)cn2CC(=O)N2CCOCC2)n1 O=C(C[*:1])N1CCOCC1 Cc1csc(n1)-c1cc(cn1[*:1])S(=O)(=O)Nc1ccc(C)c(C)c1
Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)cn2CC(=O)N2CCOCC2)n1 O=C(N1CCOCC1)[*:1] Cc1csc(n1)-c1cc(cn1C[*:1])S(=O)(=O)Nc1ccc(C)c(C)c1
Cc1cc(C)c(C#N)c(N(C)Cc2nccs2)n1 c1csc(n1)[*:1] Cc1cc(C)c(C#N)c(n1)N(C)C[*:1]
Cc1cc(C)c(C#N)c(N(C)Cc2nccs2)n1 c1csc(C[*:1])n1 Cc1cc(C)c(C#N)c(n1)N(C)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccccc1C Cc1ccccc1[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NC[C@H]1CCS(=O)(=O)C1
C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)NC[*:1]
Cn1c(CCCCC[NH3+])nc2ccccc21 [NH3+]CCCC[*:1] Cn1c(C[*:1])nc2ccccc21
Cn1c(CCCCC[NH3+])nc2ccccc21 [NH3+]CC[*:1] Cn1c(CCC[*:1])nc2ccccc21
Cn1c(CCCCC[NH3+])nc2ccccc21 [NH3+]CCC[*:1] Cn1c(CC[*:1])nc2ccccc21
C[C@@]1(CNC(=O)c2cc(N3CCCC3=O)ccc2Cl)CCCC[C@@H]1O O=C1CCCN1[*:1] C[C@]1(CCCC[C@@H]1O)CNC(=O)c1cc(ccc1Cl)[*:1]
CCc1ccc(N2C[C@@H](C(=O)n3nnc4ccccc43)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C1C[C@@H](CN1[*:1])C(=O)n1nnc2ccccc21
O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@@H]1[*:1]
CCc1nn(C)cc1C(=O)NCc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CCc1nn(C)cc1C(=O)NCc1ccc(cc1)[*:1]
C[C@H](NC(=O)NCc1cccc(OCC(F)F)n1)[C@@H]1COc2ccccc21 FC(F)[*:1] C[C@H](NC(=O)NCc1cccc(n1)OC[*:1])[C@@H]1COc2ccccc21
C[C@H](NC(=O)NCc1cccc(OCC(F)F)n1)[C@@H]1COc2ccccc21 c1ccc2c(c1)OC[C@H]2[*:1] C[C@H](NC(=O)NCc1cccc(n1)OCC(F)F)[*:1]
C[C@H](NC(=O)NCc1cccc(OCC(F)F)n1)[C@@H]1COc2ccccc21 FC(F)CO[*:1] C[C@H](NC(=O)NCc1cccc(n1)[*:1])[C@@H]1COc2ccccc21
C[C@H](NC(=O)NCc1cccc(OCC(F)F)n1)[C@@H]1COc2ccccc21 FC(F)C[*:1] C[C@H](NC(=O)NCc1cccc(n1)O[*:1])[C@@H]1COc2ccccc21
CC(C)[C@@H](C)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] CC(C)[C@@H](C)N[*:1] O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1
CC(C)[C@@H](C)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)[C@@H](C)Nc1ccc(cc1[*:1])S(=O)(=O)N1CCOCC1
CC(C)[C@@H](C)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] CC(C)[*:1] C[C@@H](Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCOCC1)[*:1]
C/[NH+]=C(/NCc1ncc(C)s1)NCC(C)(C)[NH+]1CCc2ccccc2C1 Cc1cnc(C[*:1])s1 C/[NH+]=C(\NCC(C)(C)[NH+]1CCc2ccccc2C1)N[*:1]
C/[NH+]=C(/NCc1ncc(C)s1)NCC(C)(C)[NH+]1CCc2ccccc2C1 Cc1cnc(s1)[*:1] C/[NH+]=C(\NCC(C)(C)[NH+]1CCc2ccccc2C1)NC[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccnc2)cc1F c1cncc(c1)[*:1] COc1ccc(cc1F)C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccnc2)cc1F c1csc(n1)[*:1] COc1ccc(cc1F)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccnc1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccnc2)cc1F COc1ccc(cc1F)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccnc2)N1c1nccs1
Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(Cn1c(=O)n(c(=O)c2sccc21)[*:1])NCCCc1ccccc1
Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c1 c1ccc(cc1)CC[*:1] Cc1cc(C)cc(c1)-n1c(=O)c2sccc2n(CC(=O)NC[*:1])c1=O
Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)-n1c(=O)c2sccc2n(CC(=O)NCC[*:1])c1=O
Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c1 c1ccc(cc1)CCC[*:1] Cc1cc(C)cc(c1)-n1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)-n1c(=O)c2sccc2n(CC(=O)NCCC[*:1])c1=O
COCCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] COCC[*:1] O=C([O-])CC[C@H]1CCCCN1C(=O)C[*:1]
COCCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] O=C([O-])CC[*:1] COCCCC(=O)N1CCCC[C@H]1[*:1]
COCCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] COC[*:1] O=C([O-])CC[C@H]1CCCCN1C(=O)CC[*:1]
COCCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] O=C([O-])C[*:1] COCCCC(=O)N1CCCC[C@@H]1C[*:1]
COCCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] O=C([O-])[*:1] COCCCC(=O)N1CCCC[C@@H]1CC[*:1]
COCCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] COCCC[*:1] O=C([O-])CC[C@H]1CCCCN1C(=O)[*:1]
Cc1nnc(NC(=O)c2cccc(C(N)=O)c2)s1 Cc1nnc(s1)[*:1] NC(=O)c1cccc(c1)C(=O)N[*:1]
Cc1nnc(NC(=O)c2cccc(C(N)=O)c2)s1 NC(=O)[*:1] Cc1nnc(NC(=O)c2cccc(c2)[*:1])s1
Cc1nc(SCC(=O)NCc2nc(-c3cccs3)n[nH]2)c(C#N)c(C)c1C c1csc(c1)[*:1] Cc1nc(SCC(=O)NCc2nc(n[nH]2)[*:1])c(C#N)c(C)c1C
C=CCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C=CCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2[*:1]
C=CCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 C=CC[*:1] CCc1nc2c(c(=O)n1[*:1])c1nc3ccccc3nc1n2-c1ccc(Br)cc1
CC[C@H](CO)N1CCN(C(=O)Nc2cccc(CN(C)C(C)=O)c2)CC1 CC(=O)N(C)[*:1] CC[C@H](CO)N1CCN(CC1)C(=O)Nc1cccc(c1)C[*:1]
CC[C@H](CO)N1CCN(C(=O)Nc2cccc(CN(C)C(C)=O)c2)CC1 CC(=O)N(C)C[*:1] CC[C@H](CO)N1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
NC(=O)CCNC(=O)Nc1ccccc1I NC(=O)C[*:1] O=C(NC[*:1])Nc1ccccc1I
NC(=O)CCNC(=O)Nc1ccccc1I NC(=O)CC[*:1] O=C(Nc1ccccc1I)N[*:1]
NC(=O)CCNC(=O)Nc1ccccc1I NC(=O)[*:1] O=C(NCC[*:1])Nc1ccccc1I
C[C@H](C#N)CSc1ccccc1NCc1nnc(-c2ccccc2)n1C c1ccc(cc1)[*:1] C[C@H](C#N)CSc1ccccc1NCc1nnc(n1C)[*:1]
Cc1ccn2c(NC(=O)c3ccc4c(c3)OCCCO4)c(-c3ccc(F)cc3)nc2c1 Fc1ccc(cc1)[*:1] Cc1ccn2c(NC(=O)c3ccc4OCCCOc4c3)c(nc2c1)[*:1]
Oc1ccc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1Cl C1CC1[*:1] Oc1ccc(cc1Cl)CN(C[C@@H](O)c1ccc(F)cc1)[*:1]
Oc1ccc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1Cl Fc1ccc(cc1)[*:1] Oc1ccc(cc1Cl)CN(C[C@@H](O)[*:1])C1CC1
CCc1nnc(N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)s1 ClC(Cl)(Cl)[*:1] CCc1nnc(N[C@H](NC(=O)N(C)C)[*:1])s1
CCc1nnc(N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)s1 CN(C)C(=O)N[*:1] CCc1nnc(N[C@H](C(Cl)(Cl)Cl)[*:1])s1
CC[C@@H](C)Oc1ccc(C(=O)NCc2cccnc2)cc1 CC[C@@H](C)O[*:1] O=C(NCc1cccnc1)c1ccc(cc1)[*:1]
CC[C@@H](C)Oc1ccc(C(=O)NCc2cccnc2)cc1 c1cncc(c1)[*:1] CC[C@@H](C)Oc1ccc(cc1)C(=O)NC[*:1]
CC[C@@H](C)Oc1ccc(C(=O)NCc2cccnc2)cc1 c1cncc(c1)C[*:1] CC[C@@H](C)Oc1ccc(cc1)C(=O)N[*:1]
CC[C@@H](C)Oc1ccc(C(=O)NCc2cccnc2)cc1 CC[C@@H](C)[*:1] O=C(NCc1cccnc1)c1ccc(cc1)O[*:1]
COc1ccccc1CNC[C@@H]1CN(CC(C)C)CCO1 CC(C)C[*:1] COc1ccccc1CNC[C@@H]1CN(CCO1)[*:1]
COc1ccccc1CNC[C@@H]1CN(CC(C)C)CCO1 CC(C)[*:1] COc1ccccc1CNC[C@@H]1CN(CCO1)C[*:1]
COc1ccc(NC(=O)CNC(=O)c2ccc(C)o2)cc1Cl Cc1ccc(o1)[*:1] COc1ccc(cc1Cl)NC(=O)CNC(=O)[*:1]
COc1cc(CN2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)ccc1O COc1cc(ccc1O)[*:1] O=c1[nH]c(nc2CN(CCc21)C[*:1])N1CCCCC1
COc1cc(CN2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)ccc1O C1CCN(CC1)[*:1] COc1cc(ccc1O)CN1CCc2c(C1)nc([nH]c2=O)[*:1]
CCOCC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[nH]1 CCOC[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)[*:1])-c1cccs1
CCOCC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[nH]1 CCO[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)C[*:1])-c1cccs1
CCOCC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[nH]1 CCOCC(=O)N[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1[*:1])-c1cccs1
CCOCC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(C)c(=O)[nH]1 c1csc(c1)[*:1] CCOCC(=O)Nc1cc(nn1-c1nc(C)c(C)c(=O)[nH]1)[*:1]
O=C(Nc1cccnc1)N[C@@H](CO)c1ccc(Cl)c(F)c1 c1cncc(c1)[*:1] O=C(N[C@@H](CO)c1ccc(Cl)c(F)c1)N[*:1]
O=C(C[C@H]1CCCO1)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 C1CO[C@H](C1)[*:1] O=C(C[*:1])N[C@@H]1C=C[C@H](C1)C(=O)[O-]
O=C(C[C@H]1CCCO1)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(C[C@H]1CCCO1)N[C@@H]1C=C[C@@H](C1)[*:1]
CCOC(=O)[C@@H](NC(=O)c1cccc(F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C Fc1cccc(c1)[*:1] CCOC(=O)[C@@H](NC(=O)[*:1])c1c(C)nn(-c2ccc(F)cc2)c1C
CCOC(=O)[C@@H](NC(=O)c1cccc(F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C O=C(N[*:1])c1cccc(F)c1 CCOC(=O)[C@@H](c1c(C)nn(-c2ccc(F)cc2)c1C)[*:1]
CCOC(=O)[C@@H](NC(=O)c1cccc(F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C CCOC(=O)[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)c1cccc(F)c1)[*:1]
CCOC(=O)[C@@H](NC(=O)c1cccc(F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] CCOC(=O)[C@@H](NC(=O)c1cccc(F)c1)c1c(C)nn(c1C)[*:1]
COc1ccc(-c2nc(C[NH+]3CCN(Cc4ccc(F)cc4)C(=O)C3)c(C)o2)cc1C Fc1ccc(cc1)[*:1] COc1ccc(cc1C)-c1nc(C[NH+]2CCN(C[*:1])C(=O)C2)c(C)o1
COc1ccc(-c2nc(C[NH+]3CCN(Cc4ccc(F)cc4)C(=O)C3)c(C)o2)cc1C COc1ccc(cc1C)[*:1] Cc1oc(nc1C[NH+]1CCN(Cc2ccc(F)cc2)C(=O)C1)[*:1]
COc1ccc(-c2nc(C[NH+]3CCN(Cc4ccc(F)cc4)C(=O)C3)c(C)o2)cc1C Fc1ccc(cc1)C[*:1] COc1ccc(cc1C)-c1nc(C[NH+]2CCN(C(=O)C2)[*:1])c(C)o1
Cc1cc(C)n(CC2=NN=C(C(=O)NC[C@@H]3CCCCO3)C2)n1 C1CC[C@H](OC1)[*:1] Cc1cc(C)n(CC2CC(=NN=2)C(=O)NC[*:1])n1
Cc1cc(C)n(CC2=NN=C(C(=O)NC[C@@H]3CCCCO3)C2)n1 Cc1cc(C)n(n1)[*:1] O=C(NC[C@@H]1CCCCO1)C1CC(C[*:1])=NN=1
Cc1cc(C)n(CC2=NN=C(C(=O)NC[C@@H]3CCCCO3)C2)n1 C1CC[C@@H](C[*:1])OC1 Cc1cc(C)n(CC2CC(=NN=2)C(=O)N[*:1])n1
Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)s2)o1 Cc1nnc(o1)[*:1] O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(s1)[*:1]
Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)s2)o1 Clc1cccc(c1)[*:1] Cc1nnc(o1)-c1ccc(s1)S(=O)(=O)[N-][*:1]
CC[C@@H]1CCC[C@@H](NC(=O)Cc2csc(-c3nc[nH]n3)n2)C1 c1nc(n[nH]1)[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)Cc1csc(n1)[*:1]
C=CCSc1nc2ccccc2n1CN1CCC(OC)CC1 C=CCS[*:1] COC1CCN(CC1)Cn1c(nc2ccccc21)[*:1]
C=CCSc1nc2ccccc2n1CN1CCC(OC)CC1 C=CC[*:1] COC1CCN(CC1)Cn1c(nc2ccccc21)S[*:1]
c1ccc(N2CC[C@H](C[NH2+]Cc3cccc4cccnc34)C2)cc1 c1ccc(cc1)[*:1] c1cnc2c(cccc2c1)C[NH2+]C[C@H]1CCN(C1)[*:1]
CCOc1ccc(NC(=O)Cn2c(N3CCCCC3)nc(C)cc2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1cc(=O)n(CC(=O)N[*:1])c(n1)N1CCCCC1
CCOc1ccc(NC(=O)Cn2c(N3CCCCC3)nc(C)cc2=O)cc1 CCO[*:1] Cc1cc(=O)n(CC(=O)Nc2ccc(cc2)[*:1])c(n1)N1CCCCC1
CCOc1ccc(NC(=O)Cn2c(N3CCCCC3)nc(C)cc2=O)cc1 C1CCN(CC1)[*:1] CCOc1ccc(cc1)NC(=O)Cn1c(nc(C)cc1=O)[*:1]
O=C1[C@H](Cc2nc3ccccc3o2)n2nc(-c3ccccc3)nc2[C@H]2CCCN12 c1ccc(cc1)[*:1] O=C1[C@H](Cc2nc3ccccc3o2)n2nc(nc2[C@H]2CCCN12)[*:1]
O=C1[C@H](Cc2nc3ccccc3o2)n2nc(-c3ccccc3)nc2[C@H]2CCCN12 c1ccc2oc(nc2c1)[*:1] O=C1[C@H](C[*:1])n2nc(nc2[C@H]2CCCN12)-c1ccccc1
CC1(CNC(=O)c2ccc(C(N)=O)cn2)Cc2ccccc2C1 NC(=O)[*:1] CC1(CNC(=O)c2ccc(cn2)[*:1])Cc2ccccc2C1
CCOc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)NC[C@@H](C)[*:1]
CCOc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1 CCO[*:1] C[C@H](CNC(=O)c1ccc(cc1)[*:1])c1ccccc1
CCCN1C(=O)CCc2cc(NC(=O)[C@H]3COc4ccccc43)ccc21 CCC[*:1] O=C(Nc1ccc2c(c1)CCC(=O)N2[*:1])[C@H]1COc2ccccc21
Cc1ccc2c(CNC(=O)Cc3cccs3)cc(=O)oc2c1 c1csc(c1)C[*:1] Cc1ccc2c(cc(=O)oc2c1)CNC(=O)[*:1]
Cc1ccc2c(CNC(=O)Cc3cccs3)cc(=O)oc2c1 c1csc(c1)[*:1] Cc1ccc2c(cc(=O)oc2c1)CNC(=O)C[*:1]
N/C(NC1CCCCCC1)=[NH+]/CCc1cc(F)cc2c1OCOC2 C1CCCC(CC1)[*:1] N/C(N[*:1])=[NH+]/CCc1cc(F)cc2COCOc12
O=C(c1cccc(-n2cccn2)n1)N1CCC(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(c1cccc(n1)-n1cccn1)N1CCC(CC1)[*:1]
O=C(c1cccc(-n2cccn2)n1)N1CCC(c2ccc(O)cc2)CC1 c1cnn(c1)[*:1] O=C(c1cccc(n1)[*:1])N1CCC(CC1)c1ccc(O)cc1
Cn1ccnc1COc1cccc2c1NC(=O)CO2 Cn1ccnc1[*:1] O=C1COc2cccc(OC[*:1])c2N1
COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OCc2ccccc2)c1 COc1cccc(c1)[*:1] O=C1C[C@@H](C2C(=O)C[C@@H](CC=2N1)[*:1])c1ccccc1OCc1ccccc1
COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] COc1cccc(c1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccccc1[*:1]
COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OCc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccccc1OC[*:1]
COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OCc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccccc1O[*:1]
C[NH+](C)[C@H]1CC[C@H](NCc2cnc(C3CCCC3)s2)C1 C1CCC(C1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NCc1cnc(s1)[*:1]
C[C@H]1C[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] C[C@H]1C[C@H]1C(=O)NNC(=O)c1cccc(c1)[*:1]
CC[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)C(=O)N1CCOCC1 c1cn(nn1)[*:1] CC[C@H](NC(=O)c1ccc(cc1)[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)N=C3C[C@H](c4ccco4)CC([O-])=C32)cc1 c1coc(c1)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CC(=O)N=C2C[C@H](CC([O-])=C21)[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)N=C3C[C@H](c4ccco4)CC([O-])=C32)cc1 COc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])C2C(C[C@@H](CC=2[O-])c2ccco2)=N1
CC(C)[C@@H](C)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 CC(C)(C)[*:1] CC(C)[C@@H](C)NC(=O)c1ccc(CNC(=O)O[*:1])o1
CC(C)[C@@H](C)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 CC(C)[C@@H](C)[*:1] CC(C)(C)OC(=O)NCc1ccc(o1)C(=O)N[*:1]
CC(C)[C@@H](C)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 CC(C)[*:1] C[C@@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)[*:1]
N#CCc1nc(-c2ccccc2)c(CC(=O)[O-])s1 N#CC[*:1] O=C([O-])Cc1sc(nc1-c1ccccc1)[*:1]
N#CCc1nc(-c2ccccc2)c(CC(=O)[O-])s1 c1ccc(cc1)[*:1] N#CCc1nc(c(CC(=O)[O-])s1)[*:1]
N#CCc1nc(-c2ccccc2)c(CC(=O)[O-])s1 O=C([O-])[*:1] N#CCc1nc(-c2ccccc2)c(C[*:1])s1
N#CCc1nc(-c2ccccc2)c(CC(=O)[O-])s1 O=C([O-])C[*:1] N#CCc1nc(-c2ccccc2)c(s1)[*:1]
N#CCC(=O)c1ccc(F)cc1F N#CC[*:1] O=C(c1ccc(F)cc1F)[*:1]
CCC(CC)[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 CCC(CC)[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCCC[C@H]1[NH2+][*:1]
C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1 C=CC[*:1] O=C(Nc1ccc(F)cc1)N(Cc1cccs1)[*:1]
C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1 c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)Nc1ccc(F)cc1
C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1 c1csc(c1)C[*:1] C=CCN(C(=O)Nc1ccc(F)cc1)[*:1]
O=C(OCc1cc2ccccc2o1)[C@@H]1CCCN1C(=O)c1cccs1 c1csc(c1)[*:1] O=C(OCc1cc2ccccc2o1)[C@@H]1CCCN1C(=O)[*:1]
COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c(OC)c1 COc1ccccc1[*:1] COc1ccc(c(c1)OC)[C@@H]1NC(=O)NC(C)=C1C(=O)N[*:1]
O=C(Nc1ccccc1O)C1CC[NH+](Cc2cccc(F)c2Cl)CC1 Fc1cccc(c1Cl)[*:1] O=C(Nc1ccccc1O)C1CC[NH+](CC1)C[*:1]
O=C(Nc1ccccc1O)C1CC[NH+](Cc2cccc(F)c2Cl)CC1 Oc1ccccc1[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1cccc(F)c1Cl
CCOC[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C1 CCOC[*:1] O=C(COc1ccccc1)N1CCC[C@@H](C1)C(=O)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C1 c1ccc(cc1)[*:1] CCOC[C@H]1CCN(C1)C(=O)[C@H]1CCCN(C1)C(=O)CO[*:1]
CCOC[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C1 CCO[*:1] O=C(COc1ccccc1)N1CCC[C@@H](C1)C(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C1 c1ccc(cc1)O[*:1] CCOC[C@H]1CCN(C1)C(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
CCOC[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C1 c1ccc(cc1)OC[*:1] CCOC[C@H]1CCN(C1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
O=C1C[C@H](c2ccccc2)N(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCN1 C1CN(CCO1)[*:1] O=C1C[C@H](c2ccccc2)N(CCN1)C(=O)NCc1ccc([nH+]c1)[*:1]
O=C1C[C@H](c2ccccc2)N(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCN1 c1ccc(cc1)[*:1] O=C1C[C@H](N(CCN1)C(=O)NCc1ccc([nH+]c1)N1CCOCC1)[*:1]
CNC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2 CNC(=O)[*:1] O=S(=O)(c1ccccc1)N1CCc2ccc(cc21)[*:1]
CNC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2 c1ccc(cc1)[*:1] CNC(=O)c1ccc2CCN(c2c1)S(=O)(=O)[*:1]
COc1ccc(N(Cc2cc3cccc4c3n(c2=O)CCC4)C(=O)c2c(F)cccc2F)cc1 COc1ccc(cc1)[*:1] O=C(c1c(F)cccc1F)N(Cc1cc2cccc3CCCn(c1=O)c32)[*:1]
COc1ccc(N(Cc2cc3cccc4c3n(c2=O)CCC4)C(=O)c2c(F)cccc2F)cc1 Fc1cccc(F)c1[*:1] COc1ccc(cc1)N(Cc1cc2cccc3CCCn(c1=O)c32)C(=O)[*:1]
C[NH2+]CCCNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 C[NH2+]CCC[*:1] O=C(N[*:1])c1ccc(cc1)[C@@H]1CCC[NH2+]C1
CCC(C)(C)[NH2+]CC1=Cc2cc(Cl)ccc2OC1 CCC(C)(C)[*:1] Clc1ccc2OCC(=Cc2c1)C[NH2+][*:1]
Cc1cccc(C2=CC[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)c1 Cc1cccc(c1)[*:1] O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CC=C(CC1)[*:1]
O=C(COc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 FC(F)(F)[*:1] O=C(COc1ccc(cc1)[*:1])N1CCC[C@@H]1c1ccc2OCCOc2c1
CNC(=O)c1ccc(OC)c(NC(=O)N(Cc2ccncc2)C2CC2)c1 c1cc(ccn1)[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N(C[*:1])C1CC1
CNC(=O)c1ccc(OC)c(NC(=O)N(Cc2ccncc2)C2CC2)c1 C1CC1[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N(Cc1ccncc1)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N(Cc2ccncc2)C2CC2)c1 c1cc(ccn1)C[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N(C1CC1)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N(Cc2ccncc2)C2CC2)c1 CNC(=O)[*:1] COc1ccc(cc1NC(=O)N(Cc1ccncc1)C1CC1)[*:1]
COc1ccc(CNC[C@H](O)c2cccc(F)c2)c(Cl)c1OC Fc1cccc(c1)[*:1] COc1ccc(CNC[C@H](O)[*:1])c(Cl)c1OC
Cc1c(CNC(=O)Cn2cnc(C(C)C)cc2=O)sc2nc(-c3ccc(F)cc3)cn12 CC(C)[*:1] Cc1c(CNC(=O)Cn2cnc(cc2=O)[*:1])sc2nc(cn12)-c1ccc(F)cc1
Cc1c(CNC(=O)Cn2cnc(C(C)C)cc2=O)sc2nc(-c3ccc(F)cc3)cn12 Fc1ccc(cc1)[*:1] Cc1c(CNC(=O)Cn2cnc(cc2=O)C(C)C)sc2nc(cn12)[*:1]
Cc1c(CNC(=O)Cn2cnc(C(C)C)cc2=O)sc2nc(-c3ccc(F)cc3)cn12 CC(C)c1cc(=O)n(cn1)[*:1] Cc1c(CNC(=O)C[*:1])sc2nc(cn12)-c1ccc(F)cc1
C[C@H]1CCN(C(=O)Cc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1O Fc1ccc(cc1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Cc1ccn(n1)[*:1]
COc1ccc(OCC(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 FC(F)[*:1] COc1ccc(cc1)OCC(=O)N1CCC[C@H](C1)c1cc(c2c(C)noc2n1)[*:1]
COc1ccc(OCC(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 COc1ccc(cc1)O[*:1] Cc1noc2nc(cc(c12)C(F)F)[C@@H]1CCCN(C1)C(=O)C[*:1]
COc1ccc(OCC(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 COc1ccc(cc1)[*:1] Cc1noc2nc(cc(c12)C(F)F)[C@@H]1CCCN(C1)C(=O)CO[*:1]
COc1ccc(OCC(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 COc1ccc(cc1)OC[*:1] Cc1noc2nc(cc(c12)C(F)F)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(c1c(O)cc(Cl)cc1Cl)N(C[C@H](O)c1ccccc1)C1CC1 C1CC1[*:1] O=C(c1c(O)cc(Cl)cc1Cl)N(C[C@H](O)c1ccccc1)[*:1]
O=C(c1c(O)cc(Cl)cc1Cl)N(C[C@H](O)c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(c1c(O)cc(Cl)cc1Cl)N(C[C@H](O)[*:1])C1CC1
O=C(c1c(O)cc(Cl)cc1Cl)N(C[C@H](O)c1ccccc1)C1CC1 O[C@H](c1ccccc1)[*:1] O=C(c1c(O)cc(Cl)cc1Cl)N(C[*:1])C1CC1
CC[C@@H](C)n1ncc(C(=O)NCCN2CCCS2(=O)=O)c1C1CC1 O=S1(=O)CCCN1[*:1] CC[C@@H](C)n1ncc(C(=O)NCC[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NCCN2CCCS2(=O)=O)c1C1CC1 CC[C@@H](C)[*:1] O=C(NCCN1CCCS1(=O)=O)c1cnn(c1C1CC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)NCCN2CCCS2(=O)=O)c1C1CC1 O=S1(=O)CCCN1C[*:1] CC[C@@H](C)n1ncc(C(=O)NC[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NCCN2CCCS2(=O)=O)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NCCN2CCCS2(=O)=O)c1[*:1]
CC(C)=C[C@H]1[C@@H](C(=O)NCC(C)(C)N2CCOCC2)C1(C)C C1CN(CCO1)[*:1] CC(C)=C[C@H]1[C@@H](C(=O)NCC(C)(C)[*:1])C1(C)C
CC(C)=C[C@H]1[C@@H](C(=O)NCC(C)(C)N2CCOCC2)C1(C)C CC(C)=C[*:1] CC1(C)[C@H]([C@H]1C(=O)NCC(C)(C)N1CCOCC1)[*:1]
O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cc(=O)c2cc(Cl)ccc2o1 O=C(NC1CC1)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])c1cc(=O)c2cc(Cl)ccc2o1
O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cc(=O)c2cc(Cl)ccc2o1 c1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)NC1CC1)[*:1])c1cc(=O)c2cc(Cl)ccc2o1
O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cc(=O)c2cc(Cl)ccc2o1 C1CC1[*:1] O=C(O[C@@H](C(=O)N[*:1])c1ccccc1)c1cc(=O)c2cc(Cl)ccc2o1
COC(=O)CCN(C)C(=O)Cn1cnnn1 COC(=O)C[*:1] CN(C[*:1])C(=O)Cn1cnnn1
COC(=O)CCN(C)C(=O)Cn1cnnn1 c1nnnn1[*:1] COC(=O)CCN(C)C(=O)C[*:1]
COC(=O)CCN(C)C(=O)Cn1cnnn1 COC(=O)[*:1] CN(CC[*:1])C(=O)Cn1cnnn1
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCc1ccccc1)c1ccc(C)cc12 c1ccc(cc1)[*:1] CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CC[*:1])c1ccc(C)cc12
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCc1ccccc1)c1ccc(C)cc12 c1ccc(cc1)C[*:1] CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(C[*:1])c1ccc(C)cc12
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCc1ccccc1)c1ccc(C)cc12 c1ccc(cc1)CC[*:1] CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(c1ccc(C)cc12)[*:1]
O=C(C[C@H]1CCCCO1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 C1CC[C@@H](OC1)[*:1] O=C(C[*:1])N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1
Cc1[nH]c2ccccc2c1C(=O)N1CCC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1[nH]c2ccccc2c1C(=O)N1CCC[NH+](CC1)C[*:1]
Cc1[nH]c2ccccc2c1C(=O)N1CCC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1[nH]c2ccccc2c1C(=O)N1CCC[NH+](CC1)[*:1]
CCc1cccc(C)c1NC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 CC(C)[*:1] CCc1cccc(C)c1NC(=O)N1CCN(CC1)C(=O)C(=O)N[*:1]
N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)[*:1]
N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccccc1 Fc1ccc(cc1)C[*:1] N#C/C(=C/c1cn(c2ccccc12)[*:1])C(=O)Nc1ccccc1
N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)N[*:1]
N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccccc1 Fc1ccc(cc1)[*:1] N#C/C(=C/c1cn(C[*:1])c2ccccc12)C(=O)Nc1ccccc1
O=C(NCC[C@H](O)c1ccccc1)Nc1nnc(-c2ccsc2)s1 c1ccc(cc1)[*:1] O=C(NCC[C@H](O)[*:1])Nc1nnc(s1)-c1ccsc1
O=C(NCC[C@H](O)c1ccccc1)Nc1nnc(-c2ccsc2)s1 c1cc(cs1)[*:1] O=C(NCC[C@H](O)c1ccccc1)Nc1nnc(s1)[*:1]
O=C(NCC[C@H](O)c1ccccc1)Nc1nnc(-c2ccsc2)s1 O[C@H](c1ccccc1)[*:1] O=C(NCC[*:1])Nc1nnc(s1)-c1ccsc1
CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)C=C[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1 CN(C)S(=O)(=O)[*:1] O=C(/C=C/c1ccc(F)cc1F)c1ccc(cc1)[*:1]
N#Cc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 FC(F)(F)[*:1] N#Cc1cccc(c1)CN1CCN(CC1)c1cccc(c1)[*:1]
N#Cc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 N#Cc1cccc(c1)[*:1] FC(F)(F)c1cccc(c1)N1CCN(CC1)C[*:1]
C[NH2+]CC(=O)NC[C@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] C[NH2+]CC(=O)NC[C@H]1CC[C@H](O1)[*:1]
C[C@H]1CC[C@@H](O)[C@H](CCO)C1 OCC[*:1] C[C@H]1CC[C@@H](O)[C@H](C1)[*:1]
C[C@@H](CNc1ccc2cc(C#N)ccc2n1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNc1ccc2cc(C#N)ccc2n1)c1nc(no1)[*:1]
C/[NH+]=C(/NCCc1sc(C)nc1C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 Cc1nc(C)c(s1)[*:1] C/[NH+]=C(/NCC[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
C/[NH+]=C(/NCCc1sc(C)nc1C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 Cc1nc(C)c(C[*:1])s1 C/[NH+]=C(/NC[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
C/[NH+]=C(/NCCc1sc(C)nc1C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] C/[NH+]=C(/NCCc1sc(C)nc1C)N[C@@H]1CCC[C@H](C1)[*:1]
CCN(CC)C(=O)N1CCC(C(=O)Oc2ccc(SC)cc2)CC1 CSc1ccc(cc1)[*:1] CCN(CC)C(=O)N1CCC(CC1)C(=O)O[*:1]
Cc1nc(CN2CCN(c3ccc4nncn4n3)CC2)oc1C Cc1nc(oc1C)[*:1] c1cc2nncn2nc1N1CCN(CC1)C[*:1]
C[NH+](CCCCC(=O)[O-])CC(C)(C)O CC(C)(O)[*:1] C[NH+](CCCCC(=O)[O-])C[*:1]
C[NH+](CCCCC(=O)[O-])CC(C)(C)O O=C([O-])C[*:1] C[NH+](CCC[*:1])CC(C)(C)O
C[NH+](CCCCC(=O)[O-])CC(C)(C)O O=C([O-])[*:1] C[NH+](CCCC[*:1])CC(C)(C)O
C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1 O=S1(=O)CC[C@H](C1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[*:1])c1cccc(F)c1
C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)[*:1]
C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1 O=S1(=O)CC[C@H](C1)C[*:1] C[NH+](C)[C@@H](CNC(=O)N[*:1])c1cccc(F)c1
CCCN[C@@H](c1cc(Cl)cnc1N)[C@H]1C[NH+]2CCN1CC2 CCCN[*:1] Nc1ncc(Cl)cc1[C@@H]([C@H]1C[NH+]2CCN1CC2)[*:1]
CCCN[C@@H](c1cc(Cl)cnc1N)[C@H]1C[NH+]2CCN1CC2 CCC[*:1] Nc1ncc(Cl)cc1[C@H](N[*:1])[C@H]1C[NH+]2CCN1CC2
CC(=O)Nc1cccc(C(=O)OCc2nc3ccccc3s2)c1 CC(=O)N[*:1] O=C(OCc1nc2ccccc2s1)c1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH3+])C1 CC(C)(C)[*:1] C[C@@]1(C[NH3+])CCN(C1)C(=O)O[*:1]
COc1ccc(CNC(=O)Nc2ccc(SC(F)F)cc2)cc1 FC(F)S[*:1] COc1ccc(cc1)CNC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(CNC(=O)Nc2ccc(SC(F)F)cc2)cc1 FC(F)[*:1] COc1ccc(cc1)CNC(=O)Nc1ccc(cc1)S[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])[C@H]1COc2ccc(Cl)cc2C1
COCCOc1cccc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c1 C1CCN(C1)[*:1] COCCOc1cccc(c1)CN1CCc2nc([nH]c(=O)c2CC1)[*:1]
COCCOc1cccc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c1 COCCO[*:1] O=c1[nH]c(nc2CCN(CCc21)Cc1cccc(c1)[*:1])N1CCCC1
COCCOc1cccc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c1 COCC[*:1] O=c1[nH]c(nc2CCN(CCc21)Cc1cccc(c1)O[*:1])N1CCCC1
COCCOc1cccc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c1 COC[*:1] O=c1[nH]c(nc2CCN(CCc21)Cc1cccc(c1)OC[*:1])N1CCCC1
CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1ccc(F)cc1 Cc1ccc(cc1)[*:1] CC(=O)N(CC[C@@H](c1ccco1)[*:1])Cc1ccc(F)cc1
CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)[*:1]
CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)C[*:1]
CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1ccc(F)cc1 c1coc(c1)[*:1] CC(=O)N(CC[C@@H](c1ccc(C)cc1)[*:1])Cc1ccc(F)cc1
COCCN(C)C(=O)Nc1ccc2c(ccn2CC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] COCCN(C)C(=O)Nc1ccc2c(ccn2[*:1])c1
COCCN(C)C(=O)Nc1ccc2c(ccn2CC(=O)N(C)C)c1 COCC[*:1] CN(C)C(=O)Cn1ccc2cc(ccc21)NC(=O)N(C)[*:1]
COCCN(C)C(=O)Nc1ccc2c(ccn2CC(=O)N(C)C)c1 COC[*:1] CN(C)C(=O)Cn1ccc2cc(ccc21)NC(=O)N(C)C[*:1]
COCCN(C)C(=O)Nc1ccc2c(ccn2CC(=O)N(C)C)c1 CN(C)C(=O)[*:1] COCCN(C)C(=O)Nc1ccc2c(ccn2C[*:1])c1
COc1ccc2[nH]cc(C3=CCN(Cc4[nH+]ccn4CC(F)(F)F)CC3)c2c1 FC(F)(F)[*:1] COc1ccc2[nH]cc(C3=CCN(CC3)Cc3[nH+]ccn3C[*:1])c2c1
COc1ccc2[nH]cc(C3=CCN(Cc4[nH+]ccn4CC(F)(F)F)CC3)c2c1 FC(F)(F)C[*:1] COc1ccc2[nH]cc(C3=CCN(CC3)Cc3[nH+]ccn3[*:1])c2c1
CC[C@H](C)CN(C)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] FC(F)(F)[*:1] CC[C@H](C)CN(C)c1nc(ccc1C(N)=[NH2+])[*:1]
CC[C@H](C)CN(C)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] NC(=[NH2+])[*:1] CC[C@H](C)CN(C)c1nc(ccc1[*:1])C(F)(F)F
CC[C@H](C)CN(C)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] CC[C@H](C)C[*:1] CN(c1nc(ccc1C(N)=[NH2+])C(F)(F)F)[*:1]
CC[C@H](C)CN(C)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] CC[C@H](C)[*:1] CN(C[*:1])c1nc(ccc1C(N)=[NH2+])C(F)(F)F
CCCCC[C@H](Br)CC CCC[*:1] CC[C@@H](Br)CC[*:1]
CONC(=O)NC[C@@H]1CCO[C@@H]1C(C)C CC(C)[*:1] CONC(=O)NC[C@@H]1CCO[C@H]1[*:1]
Cc1cccc(OCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 Cc1cccc(c1)[*:1] C[NH+](C)[C@@H]1CCCN(C1)C(=O)NCCO[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1 O=C(NC1CCCC1)[*:1] CC[C@H](C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[C@H](C)[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1 C1CCC(C1)[*:1] CC[C@H](C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1 CC[C@H](C)[*:1] C[C@H](C(=O)NC1CCCC1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
O=C([O-])[C@@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1CN(C[C@@H]1[*:1])C(=O)CCn1ccc(=O)[nH]c1=O
O=C([O-])[C@@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)C[C@H]1c1ccccc1 O=c1ccn(c(=O)[nH]1)[*:1] O=C([O-])[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)CC[*:1]
O=C([O-])[C@@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)C[C@H]1c1ccccc1 O=C([O-])[*:1] O=C(CCn1ccc(=O)[nH]c1=O)N1C[C@H]([C@@H](C1)c1ccccc1)[*:1]
CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 c1cc2CCCc2cc1[*:1] CC[C@@H](C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
CSC[C@@H](C)NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] CSC[C@@H](C)NC(=O)Nc1c(C)n(C)n(c1=O)[*:1]
CSC[C@@H](C)NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O CSC[*:1] Cc1c(NC(=O)N[C@H](C)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1cscc1CNC(=O)CC(C)(C)C(=O)[O-] O=C([O-])[*:1] Cc1cscc1CNC(=O)CC(C)(C)[*:1]
[NH3+]CCCC[NH+]1CCCCC1 [NH3+]CC[*:1] C1CC[NH+](CC1)CC[*:1]
Cc1ccc(OCC[S@@](=O)Cc2nc(-c3ccco3)no2)cc1 Cc1ccc(cc1)[*:1] O=[S@](CCO[*:1])Cc1nc(no1)-c1ccco1
Cc1ccc(OCC[S@@](=O)Cc2nc(-c3ccco3)no2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)OCC[S@@](=O)Cc1nc(no1)[*:1]
CC[C@H](C)c1ccc([C@@H](O)c2cscc2C)cc1 CC[C@H](C)[*:1] Cc1cscc1[C@H](O)c1ccc(cc1)[*:1]
CC[C@H](C)c1ccc([C@@H](O)c2cscc2C)cc1 Cc1cscc1[*:1] CC[C@H](C)c1ccc(cc1)[C@@H](O)[*:1]
COC(=O)CC1CC[NH+](Cc2ccc(Cl)o2)CC1 COC(=O)C[*:1] Clc1ccc(C[NH+]2CCC(CC2)[*:1])o1
COC(=O)CC1CC[NH+](Cc2ccc(Cl)o2)CC1 COC(=O)[*:1] Clc1ccc(C[NH+]2CCC(CC2)C[*:1])o1
COC(=O)CC1CC[NH+](Cc2ccc(Cl)o2)CC1 Clc1ccc(o1)[*:1] COC(=O)CC1CC[NH+](CC1)C[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C([C@H]1CCC(=O)N1S(=O)(=O)c1ccc(F)cc1)N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 CC(=O)[*:1] O=C([C@H]1CCC(=O)N1S(=O)(=O)c1ccc(F)cc1)N1CCN(CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)[C@H]1CCC(=O)N1S(=O)(=O)[*:1]
C[C@@H]1CCc2c(sc3nc(CCC(=O)NCc4ccc(Cl)cc4)[nH]c(=O)c23)C1 Clc1ccc(cc1)C[*:1] C[C@@H]1CCc2c(C1)sc1nc(CCC(=O)N[*:1])[nH]c(=O)c21
C[C@@H]1CCc2c(sc3nc(CCC(=O)NCc4ccc(Cl)cc4)[nH]c(=O)c23)C1 Clc1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(CCC(=O)NC[*:1])[nH]c(=O)c21
COC(=O)c1sccc1-n1nnc(C(=O)OC(C)(C)C)c1C CC(C)(C)OC(=O)[*:1] COC(=O)c1sccc1-n1nnc(c1C)[*:1]
COC(=O)c1sccc1-n1nnc(C(=O)OC(C)(C)C)c1C COC(=O)[*:1] Cc1c(nnn1-c1ccsc1[*:1])C(=O)OC(C)(C)C
COC(=O)c1sccc1-n1nnc(C(=O)OC(C)(C)C)c1C CC(C)(C)[*:1] COC(=O)c1sccc1-n1nnc(C(=O)O[*:1])c1C
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2NS(=O)(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2NS(=O)(=O)C[*:1])c1
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2NS(=O)(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2NS(=O)(=O)[*:1])c1
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2NS(=O)(=O)Cc2ccccc2)c1 O=[N+]([O-])[*:1] O=S(=O)(Cc1ccccc1)Nc1ccccc1/N=C/c1cc(ccc1[O-])[*:1]
COCC[NH+]1CCC(CNC(=O)c2nccc3ccccc23)CC1 COCC[*:1] O=C(NCC1CC[NH+](CC1)[*:1])c1nccc2ccccc12
COCC[NH+]1CCC(CNC(=O)c2nccc3ccccc23)CC1 COC[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])c1nccc2ccccc12
CN(C)C(=O)[C@H](Sc1nc2ccccc2n1C(F)F)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](Sc1nc2ccccc2n1C(F)F)[*:1]
CN(C)C(=O)[C@H](Sc1nc2ccccc2n1C(F)F)c1ccccc1 CN(C)C(=O)[*:1] FC(F)n1c(nc2ccccc21)S[C@H](c1ccccc1)[*:1]
CN(C)C(=O)[C@H](Sc1nc2ccccc2n1C(F)F)c1ccccc1 FC(F)[*:1] CN(C)C(=O)[C@H](Sc1nc2ccccc2n1[*:1])c1ccccc1
C[NH+](CCO)Cc1cccc(OCC(F)(F)F)c1 OCC[*:1] C[NH+](Cc1cccc(c1)OCC(F)(F)F)[*:1]
C[NH+](CCO)Cc1cccc(OCC(F)(F)F)c1 FC(F)(F)C[*:1] C[NH+](CCO)Cc1cccc(c1)O[*:1]
C[NH+](CCO)Cc1cccc(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] C[NH+](CCO)Cc1cccc(c1)[*:1]
C[NH+](CCO)Cc1cccc(OCC(F)(F)F)c1 FC(F)(F)[*:1] C[NH+](CCO)Cc1cccc(c1)OC[*:1]
COCCCOC1CN(C(=O)c2cnn(C)c2)C1 COC[*:1] Cn1cc(cn1)C(=O)N1CC(C1)OCC[*:1]
COCCCOC1CN(C(=O)c2cnn(C)c2)C1 COCC[*:1] Cn1cc(cn1)C(=O)N1CC(C1)OC[*:1]
COCCCOC1CN(C(=O)c2cnn(C)c2)C1 COCCC[*:1] Cn1cc(cn1)C(=O)N1CC(C1)O[*:1]
COCCCOC1CN(C(=O)c2cnn(C)c2)C1 Cn1cc(cn1)[*:1] COCCCOC1CN(C1)C(=O)[*:1]
COCCCOC1CN(C(=O)c2cnn(C)c2)C1 COCCCO[*:1] Cn1cc(cn1)C(=O)N1CC(C1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)Cn1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@@H](C)C[C@H](C)NC(=O)Cn1nnc(n1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)Cn1nnc(-c2ccccc2)n1 CC[C@@H](C)C[*:1] C[C@H](NC(=O)Cn1nnc(n1)-c1ccccc1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)Cn1nnc(-c2ccccc2)n1 CC[C@@H](C)[*:1] C[C@@H](C[*:1])NC(=O)Cn1nnc(n1)-c1ccccc1
CC(C)N1CCN(C(=O)c2nccnc2NC(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)N1CCN(CC1)C(=O)c1nccnc1NC(=O)[*:1]
CC(C)N1CCN(C(=O)c2nccnc2NC(=O)c2ccccc2)CC1 CC(C)[*:1] O=C(Nc1nccnc1C(=O)N1CCN(CC1)[*:1])c1ccccc1
C=CC[NH2+]Cc1nc(Cc2cccs2)no1 c1csc(c1)[*:1] C=CC[NH2+]Cc1nc(C[*:1])no1
C=CC[NH2+]Cc1nc(Cc2cccs2)no1 C=CC[*:1] c1csc(c1)Cc1noc(C[NH2+][*:1])n1
CSC[C@H]1CCN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)C1 CSC[*:1] O=C(c1cc(ccc1Cl)N1CCCC1=O)N1CC[C@@H](C1)[*:1]
CSC[C@H]1CCN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)C1 O=C1CCCN1[*:1] CSC[C@H]1CCN(C1)C(=O)c1cc(ccc1Cl)[*:1]
CC[NH+]1CCC(N(C)C(=O)Cc2nc(-c3ccsc3)oc2C)CC1 c1cc(cs1)[*:1] CC[NH+]1CCC(CC1)N(C)C(=O)Cc1nc(oc1C)[*:1]
O=c1cc(C[C@H]2NN=C(SCc3ccc([N+](=O)[O-])cc3)N2c2ccc(Cl)cc2)[nH]c(=O)[nH]1 O=[N+]([O-])[*:1] O=c1cc(C[C@H]2NN=C(SCc3ccc(cc3)[*:1])N2c2ccc(Cl)cc2)[nH]c(=O)[nH]1
O=c1cc(C[C@H]2NN=C(SCc3ccc([N+](=O)[O-])cc3)N2c2ccc(Cl)cc2)[nH]c(=O)[nH]1 O=[N+]([O-])c1ccc(cc1)C[*:1] O=c1cc(C[C@H]2NN=C(S[*:1])N2c2ccc(Cl)cc2)[nH]c(=O)[nH]1
O=c1cc(C[C@H]2NN=C(SCc3ccc([N+](=O)[O-])cc3)N2c2ccc(Cl)cc2)[nH]c(=O)[nH]1 O=c1cc([nH]c(=O)[nH]1)[*:1] O=[N+]([O-])c1ccc(cc1)CSC1=NN[C@H](C[*:1])N1c1ccc(Cl)cc1
O=c1cc(C[C@H]2NN=C(SCc3ccc([N+](=O)[O-])cc3)N2c2ccc(Cl)cc2)[nH]c(=O)[nH]1 O=[N+]([O-])c1ccc(cc1)[*:1] O=c1cc(C[C@H]2NN=C(SC[*:1])N2c2ccc(Cl)cc2)[nH]c(=O)[nH]1
O=c1cc(C[C@H]2NN=C(SCc3ccc([N+](=O)[O-])cc3)N2c2ccc(Cl)cc2)[nH]c(=O)[nH]1 Clc1ccc(cc1)[*:1] O=c1cc(C[C@H]2NN=C(SCc3ccc(cc3)[N+](=O)[O-])N2[*:1])[nH]c(=O)[nH]1
C[C@@H]1c2ccsc2CCN1C(=O)CC[C@@H]1NC(=O)NC1=O O=C1NC(=O)[C@@H](N1)[*:1] C[C@@H]1c2ccsc2CCN1C(=O)CC[*:1]
CC(C)n1ncnc1C[C@H](CBr)c1cccc(F)c1 CC(C)[*:1] Fc1cccc(c1)[C@@H](CBr)Cc1ncnn1[*:1]
O=C(CCCn1nnnc1C[NH+]1CCOCC1)N1CC[C@@H](c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(CCCn1nnnc1C[NH+]1CCOCC1)N1CC[C@@H](C1)[*:1]
CC(C)C[C@@H]1NC(=O)C[C@@H]1c1ccc(C2CC2)cc1 CC(C)[*:1] O=C1C[C@H](c2ccc(cc2)C2CC2)[C@H](C[*:1])N1
CC(C)C[C@@H]1NC(=O)C[C@@H]1c1ccc(C2CC2)cc1 C1CC1[*:1] CC(C)C[C@@H]1NC(=O)C[C@@H]1c1ccc(cc1)[*:1]
CC(C)C[C@@H]1NC(=O)C[C@@H]1c1ccc(C2CC2)cc1 CC(C)C[*:1] O=C1C[C@H](c2ccc(cc2)C2CC2)[C@@H](N1)[*:1]
N#Cc1ccc2nc(N3CCC[C@H](CNC(=O)c4ccccc4)C3)ccc2c1 c1ccc(cc1)[*:1] N#Cc1ccc2nc(ccc2c1)N1CCC[C@H](CNC(=O)[*:1])C1
N#Cc1ccc2nc(N3CCC[C@H](CNC(=O)c4ccccc4)C3)ccc2c1 O=C(N[*:1])c1ccccc1 N#Cc1ccc2nc(ccc2c1)N1CCC[C@@H](C1)C[*:1]
O[C@@H](C[NH2+]C[C@@H]1CC=CCC1)COc1ccccc1 c1ccc(cc1)[*:1] O[C@@H](C[NH2+]C[C@@H]1CC=CCC1)CO[*:1]
[NH3+]C1(CC(=O)N(Cc2ccccc2)C2CC2)CCC1 C1CC1[*:1] [NH3+]C1(CCC1)CC(=O)N(Cc1ccccc1)[*:1]
[NH3+]C1(CC(=O)N(Cc2ccccc2)C2CC2)CCC1 c1ccc(cc1)[*:1] [NH3+]C1(CCC1)CC(=O)N(C[*:1])C1CC1
Cc1ccc(S(=O)(=O)NCCc2cn3ccc(C)cc3n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccn2cc(CCNS(=O)(=O)[*:1])nc2c1
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccn(C)n1 Fc1ccccc1[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)Nc1ccn(C)n1
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccn(C)n1 Cn1ccc(n1)[*:1] C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[*:1]
CCn1c(C)cc(C[NH2+]Cc2scnc2C)c1C Cc1ncsc1[*:1] CCn1c(C)cc(C[NH2+]C[*:1])c1C
Cc1cscc1[C@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 Cc1cscc1[*:1] [NH3+][C@H]([C@@H]1CCOC2(CCSCC2)C1)[*:1]
C[C@@H](CNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)Cn1cc[nH+]c1 C1CC1c1noc(n1)[*:1] C[C@@H](CNC(=O)c1ccc(cc1)[*:1])Cn1cc[nH+]c1
C[C@@H](CNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)Cn1cc[nH+]c1 C1CC1[*:1] C[C@@H](CNC(=O)c1ccc(cc1)-c1nc(no1)[*:1])Cn1cc[nH+]c1
O=C(NCc1ccc(Cl)cc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 Clc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(=O)n(Cc2ccc(F)cc2)n1
O=C(NCc1ccc(Cl)cc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(=O)n(Cc2ccc(F)cc2)n1
O=C(NCc1ccc(Cl)cc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)C[*:1] O=C(NCc1ccc(Cl)cc1)c1ccc(=O)n(n1)[*:1]
O=C(NCc1ccc(Cl)cc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)c1ccc(=O)n(C[*:1])n1
COc1ccc(CNC(=O)NC(C2CC2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CNC(=O)NC(C1CC1)[*:1]
Cc1ccccc1-n1nnnc1SCC(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 Cc1ccccc1[*:1] CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CSc1nnnn1[*:1]
C=C(C)CN/C(N)=[NH+]/Cc1noc(C)n1 C=C(C)C[*:1] Cc1nc(C/[NH+]=C(\N)N[*:1])no1
C=C(C)CN/C(N)=[NH+]/Cc1noc(C)n1 C=C(C)[*:1] Cc1nc(C/[NH+]=C(\N)NC[*:1])no1
CC(=O)NC1(c2ccc(F)cc2)CCN(C(=O)C2CCCCC2)CC1 CC(=O)N[*:1] O=C(C1CCCCC1)N1CCC(CC1)(c1ccc(F)cc1)[*:1]
CC(=O)NC1(c2ccc(F)cc2)CCN(C(=O)C2CCCCC2)CC1 Fc1ccc(cc1)[*:1] CC(=O)NC1(CCN(CC1)C(=O)C1CCCCC1)[*:1]
CC(=O)NC1(c2ccc(F)cc2)CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] CC(=O)NC1(CCN(CC1)C(=O)[*:1])c1ccc(F)cc1
Cc1ccc2c(c1)N(C(=O)c1ccoc1)C[C@@H](C)O2 c1cc(co1)[*:1] Cc1ccc2O[C@H](C)CN(C(=O)[*:1])c2c1
CC(C)CCNC(=O)[C@@H](C)Oc1c(F)cc(C[NH3+])cc1F CC(C)[*:1] C[C@@H](Oc1c(F)cc(cc1F)C[NH3+])C(=O)NCC[*:1]
CC(C)CCNC(=O)[C@@H](C)Oc1c(F)cc(C[NH3+])cc1F CC(C)C[*:1] C[C@@H](Oc1c(F)cc(cc1F)C[NH3+])C(=O)NC[*:1]
CC(C)CCNC(=O)[C@@H](C)Oc1c(F)cc(C[NH3+])cc1F CC(C)CC[*:1] C[C@@H](Oc1c(F)cc(cc1F)C[NH3+])C(=O)N[*:1]
COCCCNC(=O)C(=O)NC1=CC=C[C@@H]2N=CC=C12 COCCC[*:1] O=C(NC1=CC=C[C@@H]2N=CC=C12)C(=O)N[*:1]
COCCCNC(=O)C(=O)NC1=CC=C[C@@H]2N=CC=C12 COC[*:1] O=C(NCC[*:1])C(=O)NC1=CC=C[C@@H]2N=CC=C12
COCCCNC(=O)C(=O)NC1=CC=C[C@@H]2N=CC=C12 COCC[*:1] O=C(NC[*:1])C(=O)NC1=CC=C[C@@H]2N=CC=C12
CC(C)CC[C@@H](C)[NH2+]CCn1cc(Cl)c(=O)[nH]c1=O CC(C)CC[*:1] C[C@@H]([NH2+]CCn1cc(Cl)c(=O)[nH]c1=O)[*:1]
CC(C)CC[C@@H](C)[NH2+]CCn1cc(Cl)c(=O)[nH]c1=O CC(C)[*:1] C[C@H](CC[*:1])[NH2+]CCn1cc(Cl)c(=O)[nH]c1=O
CC(C)CC[C@@H](C)[NH2+]CCn1cc(Cl)c(=O)[nH]c1=O CC(C)C[*:1] C[C@H](C[*:1])[NH2+]CCn1cc(Cl)c(=O)[nH]c1=O
Cc1ccc(N)c(C(=O)O[C@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(N)c(c1)C(=O)O[C@H](C)[*:1]
C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] C[C@H](NC(=O)C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(S(C)(=O)=O)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)c1ccc(cc1)[*:1]
C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(S(C)(=O)=O)cc1 O=[N+]([O-])[*:1] C[C@H](NC(=O)C1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F)c1ccc(cc1)S(C)(=O)=O
O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccsc1 c1cc(cs1)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)[*:1]
O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccsc1 FC(F)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)[*:1])c1ccsc1
CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 CC(=O)N[*:1] O=C(Cc1csc2nc(cn12)-c1ccccc1)Nc1cc(Br)ccc1[*:1]
CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1csc2nc(cn12)[*:1]
CC(=O)c1ccc(-c2ccc(C(=O)N3CCCCCC3)o2)cc1 CC(=O)[*:1] O=C(c1ccc(o1)-c1ccc(cc1)[*:1])N1CCCCCC1
C[C@H](C(=O)Nc1nccn(C)c1=O)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1nccn(C)c1=O)S(=O)(=O)[*:1]
O=C([C@H]1CCCc2cccnc21)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C([C@H]1CCCc2cccnc21)[*:1]
C[C@H](NC(=O)NCc1ccc(F)cc1)c1ccc(F)c(Cl)c1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(F)c(Cl)c1
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C(C)C)C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N(c2ccccc2)[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C(C)C)C2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N(C(C)C)[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C(C)C)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)N(C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1])c1ccccc1
Cc1[nH]ncc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 Cc1[nH]ncc1[*:1] O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[*:1]
Cc1[nH]ncc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] Cc1[nH]ncc1C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CCOc1cccc(C(=O)Nc2cccc(N(C)C(C)=O)c2)c1 CCO[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CCOc1cccc(C(=O)Nc2cccc(N(C)C(C)=O)c2)c1 CC(=O)N(C)[*:1] CCOc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
CSc1ccccc1C(=O)NCC(=O)c1ccccc1 c1ccc(cc1)[*:1] CSc1ccccc1C(=O)NCC(=O)[*:1]
CCc1ccc(-n2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 CCc1ccc(cc1)[*:1] Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2n1 Clc1ccc(c(Cl)c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc2ccccc2n1
CC(C)Cc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)[nH]n1 CC(C)C[*:1] Cn1cc(C(=O)NNC(=O)c2cc(n[nH]2)[*:1])c2ccccc21
CC(C)Cc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)[nH]n1 CC(C)[*:1] Cn1cc(C(=O)NNC(=O)c2cc(C[*:1])n[nH]2)c2ccccc21
CC(C)[C@@H](NC(=O)CSC1=NCCN1)c1ccc2c(c1)OCCO2 CC(C)[*:1] O=C(CSC1=NCCN1)N[C@@H](c1ccc2OCCOc2c1)[*:1]
C[C@@H](NC(=O)C1(c2ccccc2F)CC1)c1ccc(-n2ccnc2)cc1 Fc1ccccc1[*:1] C[C@@H](NC(=O)C1(CC1)[*:1])c1ccc(cc1)-n1ccnc1
C[C@@H](NC(=O)C1(c2ccccc2F)CC1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](NC(=O)C1(CC1)c1ccccc1F)c1ccc(cc1)[*:1]
NC(=O)c1ccc(C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(Nc1cc[nH]n1)[C@@H](NC(=O)[*:1])c1ccccc1
NC(=O)c1ccc(C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)Nc1cc[nH]n1)[*:1]
NC(=O)c1ccc(C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cc1 NC(=O)[*:1] O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc(cc1)[*:1]
CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)COC2)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)Nc1ccc2COCc2c1)[*:1]
C=CC[C@H](CNC(=O)OC(C)(C)C)C(=O)[O-] O=C([O-])[*:1] C=CC[C@H](CNC(=O)OC(C)(C)C)[*:1]
C=CC[C@H](CNC(=O)OC(C)(C)C)C(=O)[O-] C=CC[*:1] CC(C)(C)OC(=O)NC[C@H](C(=O)[O-])[*:1]
C=CC[C@H](CNC(=O)OC(C)(C)C)C(=O)[O-] CC(C)(C)[*:1] C=CC[C@H](CNC(=O)O[*:1])C(=O)[O-]
CCN1C[C@H](CN(C)C(=O)CN2CCCC2=O)Oc2ccccc21 O=C1CCCN1[*:1] CCN1C[C@H](CN(C)C(=O)C[*:1])Oc2ccccc21
CCN1C[C@H](CN(C)C(=O)CN2CCCC2=O)Oc2ccccc21 O=C1CCCN1C[*:1] CCN1C[C@H](CN(C)C(=O)[*:1])Oc2ccccc21
NNc1c(C(=O)N2CCOCC2)cccc1C(F)(F)F FC(F)(F)[*:1] NNc1c(cccc1[*:1])C(=O)N1CCOCC1
CC1=c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2=[NH+][C@H]1C Clc1ccc(cc1)[*:1] CC1=c2cc(ccc2=[NH+][C@H]1C)C(=O)NC[*:1]
COc1ccccc1-c1nnc(SCCC(=O)[O-])o1 O=C([O-])CC[*:1] COc1ccccc1-c1nnc(o1)S[*:1]
COc1ccccc1-c1nnc(SCCC(=O)[O-])o1 O=C([O-])C[*:1] COc1ccccc1-c1nnc(o1)SC[*:1]
COc1ccccc1-c1nnc(SCCC(=O)[O-])o1 O=C([O-])[*:1] COc1ccccc1-c1nnc(o1)SCC[*:1]
COc1ccccc1-c1nnc(SCCC(=O)[O-])o1 O=C([O-])CCS[*:1] COc1ccccc1-c1nnc(o1)[*:1]
Cc1cc(C)c2nc(N(CC[NH+](C)C)C(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 O=C1CCC(=O)N1[*:1] Cc1cc(C)c2nc(sc2c1)N(CC[NH+](C)C)C(=O)c1cccc(c1)[*:1]
COC(=O)c1ccc(NC(=O)C(=O)NCC2(CO)CC2)cc1 OCC1(CC1)C[*:1] COC(=O)c1ccc(cc1)NC(=O)C(=O)N[*:1]
COC(=O)c1ccc(NC(=O)C(=O)NCC2(CO)CC2)cc1 COC(=O)[*:1] O=C(NCC1(CO)CC1)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)C(=O)NCC2(CO)CC2)cc1 OCC1(CC1)[*:1] COC(=O)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
COC[C@@H](NC(=O)N(C)CCc1ncc(C)s1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)N(C)CCc1ncc(C)s1)[*:1]
COC[C@@H](NC(=O)N(C)CCc1ncc(C)s1)c1ccc(F)c(F)c1 Cc1cnc(C[*:1])s1 COC[C@@H](NC(=O)N(C)C[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)N(C)CCc1ncc(C)s1)c1ccc(F)c(F)c1 Cc1cnc(s1)[*:1] COC[C@@H](NC(=O)N(C)CC[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)N(C)CCc1ncc(C)s1)c1ccc(F)c(F)c1 COC[*:1] Cc1cnc(CCN(C)C(=O)N[C@@H](c2ccc(F)c(F)c2)[*:1])s1
COC[C@@H](NC(=O)N(C)CCc1ncc(C)s1)c1ccc(F)c(F)c1 Cc1cnc(CC[*:1])s1 COC[C@@H](NC(=O)N(C)[*:1])c1ccc(F)c(F)c1
Cc1c(C(=O)c2oc3ccc(F)cc3c2C)c([O-])n([C@@H](C)c2ccccc2)c(=O)c1C#N C[C@@H](c1ccccc1)[*:1] Cc1c(C(=O)c2oc3ccc(F)cc3c2C)c([O-])n(c(=O)c1C#N)[*:1]
Cc1c(C(=O)c2oc3ccc(F)cc3c2C)c([O-])n([C@@H](C)c2ccccc2)c(=O)c1C#N c1ccc(cc1)[*:1] Cc1c(C(=O)c2oc3ccc(F)cc3c2C)c([O-])n(c(=O)c1C#N)[C@@H](C)[*:1]
Cc1ccccc1C(=O)NCCC(=O)NC1(c2cccc(Cl)c2)CC1 Cc1ccccc1[*:1] O=C(CCNC(=O)[*:1])NC1(CC1)c1cccc(Cl)c1
Cc1ccccc1C(=O)NCCC(=O)NC1(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] Cc1ccccc1C(=O)NCCC(=O)NC1(CC1)[*:1]
COCCOc1ccc(CNc2c(C)cc(C)cc2C)cc1 COCC[*:1] Cc1cc(C)c(NCc2ccc(cc2)O[*:1])c(C)c1
COCCOc1ccc(CNc2c(C)cc(C)cc2C)cc1 COC[*:1] Cc1cc(C)c(NCc2ccc(cc2)OC[*:1])c(C)c1
COCCOc1ccc(CNc2c(C)cc(C)cc2C)cc1 COCCO[*:1] Cc1cc(C)c(NCc2ccc(cc2)[*:1])c(C)c1
CSC[C@@H](C)N(C)C(=O)Nc1ccccc1S(=O)(=O)C(C)C CC(C)S(=O)(=O)[*:1] CSC[C@@H](C)N(C)C(=O)Nc1ccccc1[*:1]
CSC[C@@H](C)N(C)C(=O)Nc1ccccc1S(=O)(=O)C(C)C CSC[*:1] CC(C)S(=O)(=O)c1ccccc1NC(=O)N(C)[C@H](C)[*:1]
CSC[C@@H](C)N(C)C(=O)Nc1ccccc1S(=O)(=O)C(C)C CC(C)[*:1] CSC[C@@H](C)N(C)C(=O)Nc1ccccc1S(=O)(=O)[*:1]
CCC(=O)c1ccc(OCCCN2C[C@H](C)O[C@@H](C)C2)cc1 CCC(=O)[*:1] C[C@H]1CN(CCCOc2ccc(cc2)[*:1])C[C@H](C)O1
Cc1cc(C)n(-c2ccc(CNc3cncc(OCC(C)C)n3)cn2)n1 Cc1cc(C)n(n1)[*:1] CC(C)COc1cncc(n1)NCc1ccc(nc1)[*:1]
Cc1cc(C)n(-c2ccc(CNc3cncc(OCC(C)C)n3)cn2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)CNc1cncc(n1)OC[*:1]
Cc1cc(C)n(-c2ccc(CNc3cncc(OCC(C)C)n3)cn2)n1 CC(C)C[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)CNc1cncc(n1)O[*:1]
Cc1cc(C)n(-c2ccc(CNc3cncc(OCC(C)C)n3)cn2)n1 CC(C)CO[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)CNc1cncc(n1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1 c1cc(co1)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc([C@@H](C)NC(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)C(=O)c1ccoc1)[*:1]
O=C1N[C@@H](c2cccs2)Nc2c1sc1ccccc21 c1csc(c1)[*:1] O=C1N[C@@H](Nc2c1sc1ccccc21)[*:1]
C[C@H](CCCO)NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] C[C@H](CCCO)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
C[C@H](CCCO)NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 OCCC[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)[*:1]
C[C@H](CCCO)NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 OCC[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1
C[C@H](CCCO)NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 C[C@H](CCCO)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CC2CC2)C1
C[C@H](CCCO)NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] C[C@H](CCCO)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCc1cccc(S(=O)(=O)NCCCOC)c1 COCCC[*:1] CCc1cccc(c1)S(=O)(=O)N[*:1]
CCc1cccc(S(=O)(=O)NCCCOC)c1 COC[*:1] CCc1cccc(c1)S(=O)(=O)NCC[*:1]
CCc1cccc(S(=O)(=O)NCCCOC)c1 COCC[*:1] CCc1cccc(c1)S(=O)(=O)NC[*:1]
COc1ccsc1CN1CCC[C@@H](c2nncn2C)C1 Cn1cnnc1[*:1] COc1ccsc1CN1CCC[C@@H](C1)[*:1]
O=C(Nc1ccnn1Cc1cccc2ccccc12)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1Cc1cccc2ccccc12)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Nc1ccnn1Cc1cccc2ccccc12)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 c1ccc2c(cccc2c1)C[*:1] O=C(Nc1ccnn1[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1
O=C(Nc1ccnn1Cc1cccc2ccccc12)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 c1ccc2c(cccc2c1)[*:1] O=C(Nc1ccnn1C[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1
CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C C1CN(CCO1)[*:1] CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(C[*:1])on2)C1(C)C
CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C CC(C)C(=O)N[*:1] CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1[*:1]
CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C C1CN(CCO1)C[*:1] CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(on2)[*:1])C1(C)C
CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C CC(C)[*:1] CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NC(=O)[*:1]
CN(C(=O)[C@@H]1CCCN1C(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] CN(C(=O)[C@@H]1CCCN1C(=O)[*:1])[C@H]1CCS(=O)(=O)C1
CN(C(=O)[C@@H]1CCCN1C(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CN(C(=O)[C@@H]1CCCN1C(=O)c1ccco1)[*:1]
C[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)c1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)[*:1]
CCOc1cc(NCc2ccc(C(=O)OC)o2)ccc1C CCO[*:1] COC(=O)c1ccc(CNc2ccc(C)c(c2)[*:1])o1
CCOc1cc(NCc2ccc(C(=O)OC)o2)ccc1C COC(=O)[*:1] CCOc1cc(ccc1C)NCc1ccc(o1)[*:1]
COc1ccc(NC(=O)c2ccco2)cc1-c1ccc(CO)o1 c1coc(c1)[*:1] COc1ccc(cc1-c1ccc(CO)o1)NC(=O)[*:1]
COc1ccc(NC(=O)c2ccco2)cc1-c1ccc(CO)o1 OCc1ccc(o1)[*:1] COc1ccc(cc1[*:1])NC(=O)c1ccco1
CN(Cc1ncnn1C)Cc1nnnn1-c1ccccc1 Cn1ncnc1[*:1] CN(Cc1nnnn1-c1ccccc1)C[*:1]
CN(Cc1ncnn1C)Cc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ncnn1C)Cc1nnnn1[*:1]
CN(Cc1ncnn1C)Cc1nnnn1-c1ccccc1 Cn1ncnc1C[*:1] CN(Cc1nnnn1-c1ccccc1)[*:1]
Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(C(F)(F)F)c2)C3)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H]1NC(=O)N(C)C2CN(C(=O)C=21)c1cccc(c1)[*:1]
Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(C(F)(F)F)c2)C3)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)c1cccc(c1)C(F)(F)F)[*:1]
COC(=O)c1cc(NC(=O)NC[C@@H](O)c2ccccc2F)ccc1Cl COC(=O)[*:1] O=C(NC[C@@H](O)c1ccccc1F)Nc1ccc(Cl)c(c1)[*:1]
COC(=O)c1cc(NC(=O)NC[C@@H](O)c2ccccc2F)ccc1Cl Fc1ccccc1[*:1] COC(=O)c1cc(ccc1Cl)NC(=O)NC[C@@H](O)[*:1]
C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NNC(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NNC(=O)[*:1])C1
COc1ccc(F)cc1NC(=O)NC[C@](C)(O)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] COc1ccc(F)cc1NC(=O)NC[C@](C)(O)[*:1]
CN(C(=O)CN1CCN(CC(=O)N2CCCc3ccccc32)CC1)C1CC1 C1CC1[*:1] CN(C(=O)CN1CCN(CC1)CC(=O)N1CCCc2ccccc21)[*:1]
CN(C(=O)CN1CCN(CC(=O)N2CCCc3ccccc32)CC1)C1CC1 CN(C(=O)C[*:1])C1CC1 O=C(CN1CCN(CC1)[*:1])N1CCCc2ccccc21
CN(C(=O)CN1CCN(CC(=O)N2CCCc3ccccc32)CC1)C1CC1 CN(C(=O)[*:1])C1CC1 O=C(CN1CCN(CC1)C[*:1])N1CCCc2ccccc21
C[C@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)[*:1]
C[C@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)[C@@H]1CCCO1 O=C([O-])[*:1] C[C@H](NC(=O)N(CC(F)(F)F)C[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)[C@@H]1CCCO1 FC(F)(F)[*:1] C[C@H](NC(=O)N(CC(=O)[O-])C[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)[C@@H]1CCCO1 O=C([O-])C[*:1] C[C@H](NC(=O)N(CC(F)(F)F)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)[C@@H]1CCCO1 FC(F)(F)C[*:1] C[C@H](NC(=O)N(CC(=O)[O-])[*:1])[C@@H]1CCCO1
O=C(CNc1cccc(Cl)c1F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 O=[N+]([O-])[*:1] O=C(CNc1cccc(Cl)c1F)Nc1cc2OCOc2cc1[*:1]
O=C(CNc1cccc(Cl)c1F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 Fc1c(Cl)cccc1[*:1] O=C(CN[*:1])Nc1cc2OCOc2cc1[N+](=O)[O-]
CCOc1cc([C@H]2C(C(C)=O)=C(C)Nc3nnnn32)ccc1OCc1ccc(C)cc1 CC(=O)[*:1] CCOc1cc(ccc1OCc1ccc(C)cc1)[C@H]1C(=C(C)Nc2nnnn21)[*:1]
CCOc1cc([C@H]2C(C(C)=O)=C(C)Nc3nnnn32)ccc1OCc1ccc(C)cc1 CCO[*:1] CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccc(C)cc2)c(c1)[*:1]
CCOc1cc([C@H]2C(C(C)=O)=C(C)Nc3nnnn32)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCOc1cc(ccc1OC[*:1])[C@H]1C(C(C)=O)=C(C)Nc2nnnn21
CCOc1cc([C@H]2C(C(C)=O)=C(C)Nc3nnnn32)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] CCOc1cc(ccc1O[*:1])[C@H]1C(C(C)=O)=C(C)Nc2nnnn21
CCOc1cc([C@H]2C(C(C)=O)=C(C)Nc3nnnn32)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)CO[*:1] CCOc1cc(ccc1[*:1])[C@H]1C(C(C)=O)=C(C)Nc2nnnn21
C[C@@H](NCc1nnc(-c2ccccc2)s1)c1nc2c(s1)CCCC2 c1ccc(cc1)[*:1] C[C@@H](NCc1nnc(s1)[*:1])c1nc2CCCCc2s1
CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccc(C(C)(C)C)cc1)C2 CC(C)(C)[*:1] CC(=O)Nc1cccc2CN(CCc21)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccc(C(C)(C)C)cc1)C2 CC(=O)N[*:1] CC(C)(C)c1ccc(cc1)NC(=O)N1CCc2c(cccc2[*:1])C1
Cc1cccc(C2=CCN(C(=O)NCc3nc(C)sc3C)CC2)c1 Cc1cccc(c1)[*:1] Cc1nc(CNC(=O)N2CC=C(CC2)[*:1])c(C)s1
Cc1cccc(C2=CCN(C(=O)NCc3nc(C)sc3C)CC2)c1 Cc1nc(C[*:1])c(C)s1 Cc1cccc(c1)C1=CCN(CC1)C(=O)N[*:1]
Cc1cccc(C2=CCN(C(=O)NCc3nc(C)sc3C)CC2)c1 Cc1nc(c(C)s1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NC[*:1]
N#CCCNS(=O)(=O)c1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1 N#CCCNS(=O)(=O)[*:1] O=C(NNc1ccc(F)c(F)c1F)c1ccc(cc1)[*:1]
N#CCCNS(=O)(=O)c1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1 Fc1ccc(c(F)c1F)[*:1] N#CCCNS(=O)(=O)c1ccc(cc1)C(=O)NN[*:1]
N#CCCNS(=O)(=O)c1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1 N#CC[*:1] O=C(NNc1ccc(F)c(F)c1F)c1ccc(cc1)S(=O)(=O)NC[*:1]
N#CCCNS(=O)(=O)c1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1 N#CCC[*:1] O=C(NNc1ccc(F)c(F)c1F)c1ccc(cc1)S(=O)(=O)N[*:1]
CC[C@@H](c1ccc(F)cc1F)N(C)CCC#N N#CC[*:1] CC[C@@H](c1ccc(F)cc1F)N(C)C[*:1]
CC[C@@H](c1ccc(F)cc1F)N(C)CCC#N N#CCC[*:1] CC[C@@H](c1ccc(F)cc1F)N(C)[*:1]
COc1c(C(=O)NCC(=O)OC(C)(C)C)sc(C)c1Br CC(C)(C)[*:1] COc1c(sc(C)c1Br)C(=O)NCC(=O)O[*:1]
COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2nncn2C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](C)[C@H](C)[NH2+]Cc1nncn1[*:1]
Cc1n[nH]c(SCC(=O)N2CCN(C)c3ccccc32)n1 Cc1n[nH]c(n1)S[*:1] CN1CCN(C(=O)C[*:1])c2ccccc21
Cc1n[nH]c(SCC(=O)N2CCN(C)c3ccccc32)n1 Cc1n[nH]c(n1)[*:1] CN1CCN(C(=O)CS[*:1])c2ccccc21
O=C(Nc1nnc(C(F)(F)F)s1)c1ccc2[nH]cnc2c1 FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc2[nH]cnc2c1
CC(=O)N1CCC[C@@H](c2nccnc2Nc2nc(C)cc(C)n2)C1 Cc1cc(C)nc(n1)[*:1] CC(=O)N1CCC[C@H](C1)c1nccnc1N[*:1]
O=C(CCNC(=O)N1CCCN(c2nccs2)CC1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C(NCC[*:1])N1CCCN(CC1)c1nccs1
O=C(CCNC(=O)N1CCCN(c2nccs2)CC1)NC1CCCC1 c1csc(n1)[*:1] O=C(CCNC(=O)N1CCCN(CC1)[*:1])NC1CCCC1
O=C(CCNC(=O)N1CCCN(c2nccs2)CC1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CCNC(=O)N1CCCN(CC1)c1nccs1)N[*:1]
CC(C)(CNC(=O)c1cc(C2CC2)[nH]n1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)c1cc([nH]n1)C1CC1)[*:1]
CC(C)(CNC(=O)c1cc(C2CC2)[nH]n1)c1ccncc1 C1CC1[*:1] CC(C)(CNC(=O)c1cc([nH]n1)[*:1])c1ccncc1
COc1ccc(CCCC(=O)Nc2nnc(C(C)(C)C)s2)cc1F CC(C)(C)[*:1] COc1ccc(cc1F)CCCC(=O)Nc1nnc(s1)[*:1]
c1cncc(CN2CCC([NH2+][C@@H]3CCc4n[nH]cc4C3)CC2)c1 c1cncc(c1)[*:1] c1[nH]nc2CC[C@H](Cc12)[NH2+]C1CCN(CC1)C[*:1]
c1cncc(CN2CCC([NH2+][C@@H]3CCc4n[nH]cc4C3)CC2)c1 c1cncc(c1)C[*:1] c1[nH]nc2CC[C@H](Cc12)[NH2+]C1CCN(CC1)[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(Cc2ccccn2)CC1 c1ccc(nc1)[*:1] C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(CC1)C[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(Cc2ccccn2)CC1 Fc1cccc(c1)C[*:1] C[C@H](C[*:1])C(=O)N1CCN(CC1)Cc1ccccn1
C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(Cc2ccccn2)CC1 Fc1cccc(c1)[*:1] C[C@H](CC[*:1])C(=O)N1CCN(CC1)Cc1ccccn1
C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(CC1)[*:1]
CCc1ccc([C@H](C)NCC(=O)NC(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@H](C)NCC(=O)N[*:1]
CCc1ccc([C@H](C)NCC(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] CCc1ccc(cc1)[C@H](C)NC[*:1]
COc1ccc(C(=O)OCC(=O)Nc2ccccc2C)c(C)c1 Cc1ccccc1[*:1] COc1ccc(C(=O)OCC(=O)N[*:1])c(C)c1
COc1cccc(/C(C)=C/C(=O)N2CCN(Cc3csc(C)n3)CC2)c1 Cc1nc(cs1)C[*:1] COc1cccc(c1)/C(C)=C/C(=O)N1CCN(CC1)[*:1]
COc1cccc(/C(C)=C/C(=O)N2CCN(Cc3csc(C)n3)CC2)c1 COc1cccc(c1)[*:1] CC(=CC(=O)N1CCN(CC1)Cc1csc(C)n1)[*:1]
COc1cccc(/C(C)=C/C(=O)N2CCN(Cc3csc(C)n3)CC2)c1 Cc1nc(cs1)[*:1] COc1cccc(c1)/C(C)=C/C(=O)N1CCN(CC1)C[*:1]
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)cc1Cl O=S(=O)(N1CCCC1)[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])Nc1ccc(F)cc1Cl
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C(COC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1)N[*:1]
COc1ccc(OC)c(N2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)c1 O=C(NCC(F)(F)F)[*:1] COc1ccc(OC)c(c1)N1C[C@@H](CC1=O)[*:1]
COc1ccc(OC)c(N2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)c1 FC(F)(F)[*:1] COc1ccc(OC)c(c1)N1C[C@H](CC1=O)C(=O)NC[*:1]
COc1ccc(OC)c(N2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)c1 FC(F)(F)C[*:1] COc1ccc(OC)c(c1)N1C[C@H](CC1=O)C(=O)N[*:1]
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)OC2CCN(S(C)(=O)=O)CC2)cc1 CC(C)[*:1] CS(=O)(=O)N1CCC(CC1)OC(=O)[C@@H]1C[C@H]1c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 CCO[*:1] O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(cc1)[*:1]
C[C@@H](O)C[C@@H]1CCCN1c1cc(Br)cc(F)c1C(N)=O C[C@@H](O)[*:1] NC(=O)c1c(F)cc(Br)cc1N1CCC[C@H]1C[*:1]
C[C@@H](O)C[C@@H]1CCCN1c1cc(Br)cc(F)c1C(N)=O C[C@@H](O)C[*:1] NC(=O)c1c(F)cc(Br)cc1N1CCC[C@H]1[*:1]
C[C@@H](O)C[C@@H]1CCCN1c1cc(Br)cc(F)c1C(N)=O NC(=O)[*:1] C[C@@H](O)C[C@@H]1CCCN1c1cc(Br)cc(F)c1[*:1]
NC(=O)c1ccc(N[C@H]2CCN(c3c(F)cccc3F)C2=O)cc1 Fc1cccc(F)c1[*:1] NC(=O)c1ccc(cc1)N[C@H]1CCN(C1=O)[*:1]
NC(=O)c1ccc(N[C@H]2CCN(c3c(F)cccc3F)C2=O)cc1 NC(=O)[*:1] O=C1[C@H](CCN1c1c(F)cccc1F)Nc1ccc(cc1)[*:1]
COc1cc(C)ccc1OS(=O)(=O)c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] COc1cc(C)ccc1OS(=O)(=O)c1cccc(c1)[*:1]
COc1cc(C)ccc1OS(=O)(=O)c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] COc1cc(C)ccc1OS(=O)(=O)c1cccc(c1)O[*:1]
Cc1cccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)c1 C1CCN(C1)[*:1] Cc1cccc(c1)-n1ccc2nc(ncc2c1=O)[*:1]
Cc1cccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)c1 Cc1cccc(c1)[*:1] O=c1c2cnc(nc2ccn1[*:1])N1CCCC1
N#C[C@]1([C@H](O)c2ccccc2Br)CCOc2ccccc21 Brc1ccccc1[*:1] N#C[C@@]1(CCOc2ccccc21)[C@H](O)[*:1]
COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1sccc1C Cc1ccsc1C[*:1] COC(=O)[C@H](c1cccc(C#N)c1)N(C)[*:1]
COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1sccc1C COC(=O)[*:1] Cc1ccsc1CN(C)[C@@H](c1cccc(C#N)c1)[*:1]
COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1sccc1C Cc1ccsc1[*:1] COC(=O)[C@H](c1cccc(C#N)c1)N(C)C[*:1]
Cc1cccn2cc(C)[n+](CC(=O)c3ccc(I)c([N+](=O)[O-])c3)c12 O=[N+]([O-])[*:1] Cc1cccn2cc(C)[n+](CC(=O)c3ccc(I)c(c3)[*:1])c12
O=C(c1cccnc1)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 Fc1cccc(Cl)c1[*:1] O=C(c1cccnc1)C1CCN(CC1)C(=O)C[*:1]
O=C(c1cccnc1)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 O=C(c1cccnc1)[*:1] O=C(Cc1c(F)cccc1Cl)N1CCC(CC1)[*:1]
O=C(c1cccnc1)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 c1cncc(c1)[*:1] O=C(Cc1c(F)cccc1Cl)N1CCC(CC1)C(=O)[*:1]
CSc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cn1 CSc1ccc(cn1)[*:1] O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)[*:1]
CCn1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cn1 O=[N+]([O-])[*:1] CCn1cc(cn1)C(=O)Nc1ccc(C)c(c1)[*:1]
COc1cc(NC(=O)[C@@H]2CC(=O)N(C)C2)c(OC)cc1Cl CN1C[C@@H](CC1=O)[*:1] COc1cc(NC(=O)[*:1])c(cc1Cl)OC
C/C(=C\c1ccc(F)cc1)C(=O)O[C@@H](C)c1ccccn1 Fc1ccc(cc1)[*:1] CC(=C[*:1])C(=O)O[C@@H](C)c1ccccn1
C/C(=C\c1ccc(F)cc1)C(=O)O[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] C/C(=C\c1ccc(F)cc1)C(=O)O[C@@H](C)[*:1]
CN(C)c1ccccc1NC(=O)CNS(=O)(=O)c1cnn(C)c1 CN(C)[*:1] Cn1cc(cn1)S(=O)(=O)NCC(=O)Nc1ccccc1[*:1]
CN(C)c1ccccc1NC(=O)CNS(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] CN(C)c1ccccc1NC(=O)CNS(=O)(=O)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O c1ccc(cc1)CC[*:1] C[C@@]1(NC(=O)N(Cc2cc(Cl)c3OCCOc3c2)C1=O)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O c1ccc(cc1)C[*:1] C[C@]1(C[*:1])NC(=O)N(Cc2cc(Cl)c3OCCOc3c2)C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O c1ccc(cc1)[*:1] C[C@]1(CC[*:1])NC(=O)N(Cc2cc(Cl)c3OCCOc3c2)C1=O
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)cc1 Cc1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(c(c1)NS(=O)(=O)[*:1])N1CC[NH2+]CC1
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CC[NH2+]CC1)[*:1]
CCOC(=O)C1(CC2CC2)CCN(C(=O)[C@H]2[NH+]=c3ccc(Cl)cc3=C2C)CC1 CCOC(=O)[*:1] CC1=c2cc(Cl)ccc2=[NH+][C@@H]1C(=O)N1CCC(CC1)(CC1CC1)[*:1]
CCOC(=O)C1(CC2CC2)CCN(C(=O)[C@H]2[NH+]=c3ccc(Cl)cc3=C2C)CC1 C1CC1C[*:1] CCOC(=O)C1(CCN(CC1)C(=O)[C@H]1[NH+]=c2ccc(Cl)cc2=C1C)[*:1]
CCOC(=O)C1(CC2CC2)CCN(C(=O)[C@H]2[NH+]=c3ccc(Cl)cc3=C2C)CC1 C1CC1[*:1] CCOC(=O)C1(CCN(CC1)C(=O)[C@H]1[NH+]=c2ccc(Cl)cc2=C1C)C[*:1]
C[C@@H]1CCCN(C(=O)Nc2ccc3nc(N(C)C)oc3c2)[C@H]1CO CN(C)[*:1] C[C@@H]1CCCN(C(=O)Nc2ccc3nc(oc3c2)[*:1])[C@H]1CO
O=C(NCc1ccco1)C(=O)Nc1ccnn1C1CCCCC1 C1CCC(CC1)[*:1] O=C(NCc1ccco1)C(=O)Nc1ccnn1[*:1]
O=C(NCc1ccco1)C(=O)Nc1ccnn1C1CCCCC1 c1coc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccnn1C1CCCCC1
O=C(NCc1ccco1)C(=O)Nc1ccnn1C1CCCCC1 c1coc(c1)C[*:1] O=C(Nc1ccnn1C1CCCCC1)C(=O)N[*:1]
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C2CC2)no1 N#Cc1ccc(cc1)[*:1] C[C@@H](Nc1ccc(cc1)O[*:1])c1nc(no1)C1CC1
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] C[C@@H](Nc1ccc(cc1)Oc1ccc(C#N)cc1)[*:1]
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C2CC2)no1 C1CC1[*:1] C[C@@H](Nc1ccc(cc1)Oc1ccc(C#N)cc1)c1nc(no1)[*:1]
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)(Oc1ccc(C#N)cc1)C(=O)N[*:1]
CCN[C@@H](c1cc(C)cnc1N)C(C)(C)[NH+](CC)CC CCN[*:1] CC[NH+](CC)C(C)(C)[C@H](c1cc(C)cnc1N)[*:1]
CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2ncccn2)cc1 c1cnc(nc1)[*:1] CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(cc1)O[*:1]
CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2ncccn2)cc1 c1cnc(nc1)O[*:1] CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CNc2cc(C(N)=O)ccc2N2CCCC2)cc1F NC(=O)[*:1] Cc1ccc(cc1F)NC(=O)CNc1cc(ccc1N1CCCC1)[*:1]
Cc1ccc(NC(=O)CNc2cc(C(N)=O)ccc2N2CCCC2)cc1F C1CCN(C1)[*:1] Cc1ccc(cc1F)NC(=O)CNc1cc(ccc1[*:1])C(N)=O
Cc1ccc(NC(=O)CNc2cc(C(N)=O)ccc2N2CCCC2)cc1F Cc1ccc(cc1F)[*:1] NC(=O)c1ccc(c(c1)NCC(=O)N[*:1])N1CCCC1
COC(=O)c1sc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)nc1C COC(=O)[*:1] Cc1nc(NC(=O)Cn2cc(ccc2=O)C(F)(F)F)sc1[*:1]
COC(=O)c1sc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)nc1C FC(F)(F)[*:1] COC(=O)c1sc(nc1C)NC(=O)Cn1cc(ccc1=O)[*:1]
CC(C)OCC[C@@H]1CCCCN1C(=O)c1cnc(Cc2ccccc2)s1 CC(C)OCC[*:1] O=C(c1cnc(Cc2ccccc2)s1)N1CCCC[C@H]1[*:1]
CC(C)OCC[C@@H]1CCCCN1C(=O)c1cnc(Cc2ccccc2)s1 CC(C)O[*:1] O=C(c1cnc(Cc2ccccc2)s1)N1CCCC[C@H]1CC[*:1]
CC(C)OCC[C@@H]1CCCCN1C(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] CC(C)OCC[C@@H]1CCCCN1C(=O)c1cnc(s1)[*:1]
CC(C)OCC[C@@H]1CCCCN1C(=O)c1cnc(Cc2ccccc2)s1 CC(C)[*:1] O=C(c1cnc(Cc2ccccc2)s1)N1CCCC[C@H]1CCO[*:1]
CC(C)OCC[C@@H]1CCCCN1C(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)OCC[C@@H]1CCCCN1C(=O)c1cnc(C[*:1])s1
CC(C)OCC[C@@H]1CCCCN1C(=O)c1cnc(Cc2ccccc2)s1 CC(C)OC[*:1] O=C(c1cnc(Cc2ccccc2)s1)N1CCCC[C@H]1C[*:1]
O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCCO3)c(Cl)c1 O=[N+]([O-])[*:1] Clc1cc(ccc1NCc1ccc2OCCOc2c1)[*:1]
Cc1cc(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2[O-])cc(C)c1Cl Cc1cc(cc(C)c1Cl)O[*:1] Cc1c(C(=O)[C@H](C)[*:1])c([O-])n(c(=O)c1C#N)C1CCCC1
Cc1cc(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2[O-])cc(C)c1Cl C1CCC(C1)[*:1] Cc1cc(cc(C)c1Cl)O[C@@H](C)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
Cc1cc(O[C@@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2[O-])cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] Cc1c(C(=O)[C@H](C)O[*:1])c([O-])n(c(=O)c1C#N)C1CCCC1
COc1ccc([C@H]([NH2+]C[C@H](O)C(C)(C)C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H]([NH2+]C[C@H](O)C(C)(C)C)[*:1]
COc1ccc([C@H]([NH2+]C[C@H](O)C(C)(C)C)C(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@H]([NH2+]C[C@H](O)[*:1])C(C)C
COc1ccc([C@H]([NH2+]C[C@H](O)C(C)(C)C)C(C)C)cc1 CC(C)(C)[C@@H](O)[*:1] COc1ccc(cc1)[C@H]([NH2+]C[*:1])C(C)C
CC[C@H](C#N)Oc1ccc(F)cc1[C@H](C)[NH3+] CC[C@H](C#N)[*:1] C[C@H]([NH3+])c1cc(F)ccc1O[*:1]
CC(C)(C)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2 CC(C)(C)[*:1] O=C(NNC(=O)[*:1])c1cc2CCCCCCc2s1
C[C@H](CNC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)Cn1cc[nH+]c1 O=C1NCCN1[*:1] C[C@H](CNC(=O)c1ccc(Cl)c(c1)[*:1])Cn1cc[nH+]c1
NC(=O)C[NH+]1CCCN(CC2CCCCC2)CC1 NC(=O)C[*:1] C1CCC(CC1)CN1CCC[NH+](CC1)[*:1]
NC(=O)C[NH+]1CCCN(CC2CCCCC2)CC1 C1CCC(CC1)[*:1] NC(=O)C[NH+]1CCCN(CC1)C[*:1]
NC(=O)C[NH+]1CCCN(CC2CCCCC2)CC1 NC(=O)[*:1] C1CCC(CC1)CN1CCC[NH+](CC1)C[*:1]
C=CCN(CCSc1ccccc1)C(=O)c1ccncc1Cl c1ccc(cc1)S[*:1] C=CCN(CC[*:1])C(=O)c1ccncc1Cl
C=CCN(CCSc1ccccc1)C(=O)c1ccncc1Cl c1ccc(cc1)[*:1] C=CCN(CCS[*:1])C(=O)c1ccncc1Cl
C=CCN(CCSc1ccccc1)C(=O)c1ccncc1Cl C=CC[*:1] O=C(c1ccncc1Cl)N(CCSc1ccccc1)[*:1]
C=CCN(CCSc1ccccc1)C(=O)c1ccncc1Cl Clc1cnccc1[*:1] C=CCN(CCSc1ccccc1)C(=O)[*:1]
C[C@H]1CCN(C(=O)c2ccc(OCC3CC3)nc2)[C@@H](C)C1 C1CC1C[*:1] C[C@H]1CCN(C(=O)c2ccc(nc2)O[*:1])[C@@H](C)C1
C[C@H]1CCN(C(=O)c2ccc(OCC3CC3)nc2)[C@@H](C)C1 C1CC1CO[*:1] C[C@H]1CCN(C(=O)c2ccc(nc2)[*:1])[C@@H](C)C1
C[C@H]1CCN(C(=O)c2ccc(OCC3CC3)nc2)[C@@H](C)C1 C1CC1[*:1] C[C@H]1CCN(C(=O)c2ccc(nc2)OC[*:1])[C@@H](C)C1
Cc1ccc(-n2nnc(C(=O)N3CCOCC3)c2CSc2nc(C)cc(C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)nc(n1)SCc1c(nnn1[*:1])C(=O)N1CCOCC1
Cc1ccc(-n2nnc(C(=O)N3CCOCC3)c2CSc2nc(C)cc(C)n2)cc1 Cc1cc(C)nc(n1)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N2CCOCC2)c1CS[*:1]
Cc1ccc(-n2nnc(C(=O)N3CCOCC3)c2CSc2nc(C)cc(C)n2)cc1 Cc1cc(C)nc(n1)S[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N2CCOCC2)c1C[*:1]
Cc1ccc(-n2nnc(C(=O)N3CCOCC3)c2CSc2nc(C)cc(C)n2)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)-n1nnc(c1CSc1nc(C)cc(C)n1)[*:1]
Cc1ccc(-n2nnc(C(=O)N3CCOCC3)c2CSc2nc(C)cc(C)n2)cc1 Cc1cc(C)nc(n1)SC[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N2CCOCC2)c1[*:1]
CO[C@@H]1CCC[C@@H](OC(=O)c2csc(S(N)(=O)=O)c2C)C1 NS(=O)(=O)[*:1] CO[C@@H]1CCC[C@H](C1)OC(=O)c1csc(c1C)[*:1]
O=C(N[C@@H](CO)C(=O)[O-])[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(N[C@@H](CO)C(=O)[O-])[C@H]1CC(=O)N(C1)[*:1]
O=C(N[C@@H](CO)C(=O)[O-])[C@H]1CC(=O)N(CC(F)(F)F)C1 O=C([O-])[*:1] O=C(N[C@@H](CO)[*:1])[C@H]1CC(=O)N(C1)CC(F)(F)F
O=C(N[C@@H](CO)C(=O)[O-])[C@H]1CC(=O)N(CC(F)(F)F)C1 O=C([O-])[C@H](CO)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)CC(F)(F)F
O=C(N[C@@H](CO)C(=O)[O-])[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(N[C@@H](CO)C(=O)[O-])[C@H]1CC(=O)N(C1)C[*:1]
COC(=O)CC1CCN(C(=O)CCc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)CC1 COC(=O)C[*:1] Cc1c(CCC(=O)N2CCC(CC2)[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
COC(=O)CC1CCN(C(=O)CCc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)CC1 COC(=O)[*:1] Cc1c(CCC(=O)N2CCC(CC2)C[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[*:1]
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[*:1]
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc(C)c(C)c3)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)NNc1ccc(cc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc(C)c(C)c3)cc2)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NNC(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1c[nH]nc1C1CCN(CC1)S(=O)(=O)[*:1])N1CCCCCC1
COc1ccc(S(=O)(=O)N2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)cc1 O=C(N1CCCCCC1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1n[nH]cc1[*:1]
CCNC(=O)c1ccc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 CCNC(=O)[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(cc1)[*:1]
CCc1ncc(CN2CCN([C@@H](CC)CO)CC2)s1 CC[C@@H](CO)[*:1] CCc1ncc(CN2CCN(CC2)[*:1])s1
COC(=O)c1ccccc1C#N COC(=O)[*:1] N#Cc1ccccc1[*:1]
Cc1onc(-c2cccnc2)c1C(=O)NCCc1ccccc1 c1cncc(c1)[*:1] Cc1onc(c1C(=O)NCCc1ccccc1)[*:1]
Cc1onc(-c2cccnc2)c1C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] Cc1onc(-c2cccnc2)c1C(=O)NCC[*:1]
Cc1onc(-c2cccnc2)c1C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] Cc1onc(-c2cccnc2)c1C(=O)NC[*:1]
CC1=CC(=O)CC(C)(C)[C@]1(O)CC[C@H](C)O C[C@H](O)[*:1] CC1=CC(=O)CC(C)(C)[C@]1(O)CC[*:1]
CC1=CC(=O)CC(C)(C)[C@]1(O)CC[C@H](C)O C[C@H](O)CC[*:1] CC1=CC(=O)CC(C)(C)[C@@]1(O)[*:1]
CC1=CC(=O)CC(C)(C)[C@]1(O)CC[C@H](C)O C[C@H](O)C[*:1] CC1=CC(=O)CC(C)(C)[C@]1(O)C[*:1]
O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 O=[N+]([O-])[*:1] O=C(CSc1ccc(cc1[*:1])C(F)(F)F)N1CCOCC1
O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 FC(F)(F)[*:1] O=C(CSc1ccc(cc1[N+](=O)[O-])[*:1])N1CCOCC1
Cc1nc(C)c(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)N1CCC[C@@H]1C(=O)N[*:1]
Cc1nc(C)c(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)s1 Cc1nc(C)c(s1)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)[*:1]
CCC(CC)c1cc(CNC(=O)Nc2cccc(NC(C)=O)c2)on1 CCC(CC)[*:1] CC(=O)Nc1cccc(c1)NC(=O)NCc1cc(no1)[*:1]
CCC(CC)c1cc(CNC(=O)Nc2cccc(NC(C)=O)c2)on1 CC(=O)N[*:1] CCC(CC)c1cc(CNC(=O)Nc2cccc(c2)[*:1])on1
Cc1cc([C@H](C)NC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c(C)s1 O=C([O-])[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)N1CC[C@H]([C@@H]1C)[*:1]
Cc1cc([C@H](C)NC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H]1[C@H](CCN1C(=O)N[C@@H](C)[*:1])C(=O)[O-]
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](C)NC(N)=O c1ccc(cc1)[*:1] CC[C@H]([C@@H]1CCCN1C(=O)[C@@H](C)NC(N)=O)[*:1]
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](C)NC(N)=O C[C@@H](NC(N)=O)[*:1] CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](C)NC(N)=O NC(=O)N[*:1] CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](C)[*:1]
Cc1n[nH]c2ncc(NC(=O)NCc3ccnc(OCC4CC4)c3)cc12 C1CC1C[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NCc1ccnc(c1)O[*:1]
Cc1n[nH]c2ncc(NC(=O)NCc3ccnc(OCC4CC4)c3)cc12 C1CC1[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NCc1ccnc(c1)OC[*:1]
Cc1n[nH]c2ncc(NC(=O)NCc3ccnc(OCC4CC4)c3)cc12 C1CC1CO[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NCc1ccnc(c1)[*:1]
CCCC[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C CCC[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CC(C)(C)OC1(C)C
CCCC[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C CCCC[*:1] C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)[*:1]
Cc1c(Cl)ccc2s/c(=N/C(=O)c3cccc(S(C)(=O)=O)c3)n(C)c12 CS(=O)(=O)[*:1] Cc1c(Cl)ccc2s/c(=N/C(=O)c3cccc(c3)[*:1])n(C)c12
Cc1nn(C[C@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)c(C)c1Cl Cc1nn(C[*:1])c(C)c1Cl C[C@H](c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)[*:1]
Cc1nn(C[C@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)c(C)c1Cl c1ccc(cc1)C[*:1] Cc1nn(C[C@H](C)c2nnc(Nc3ccn(n3)[*:1])s2)c(C)c1Cl
Cc1nn(C[C@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] C[C@@H](C[*:1])c1nnc(Nc2ccn(Cc3ccccc3)n2)s1
Cc1nn(C[C@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)c(C)c1Cl c1ccc(cc1)[*:1] Cc1nn(C[C@H](C)c2nnc(Nc3ccn(C[*:1])n3)s2)c(C)c1Cl
COc1ccc(NC(=O)CCc2c(C)[nH]n(-c3nc(-c4ccc(F)cc4)cs3)c2=O)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)CCc1c(C)[nH]n(-c2nc(cs2)[*:1])c1=O
COc1ccc(NC(=O)CCc2c(C)[nH]n(-c3nc(-c4ccc(F)cc4)cs3)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1[nH]n(-c2nc(cs2)-c2ccc(F)cc2)c(=O)c1CCC(=O)N[*:1]
C[C@@H](CC(=O)N[C@H]1CCC[C@@H]1CO)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)N[C@H]1CCC[C@@H]1CO)C[*:1]
CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(N2CCCC2=O)CC1 CC(C)[*:1] Cn1nc(c(C[NH+]2CCC(CC2)N2CCCC2=O)c1Cl)[*:1]
CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(N2CCCC2=O)CC1 O=C1CCCN1[*:1] CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(CC1)[*:1]
COc1nn(C)cc1C(=O)N1CCC[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 C1CCC(CC1)[*:1] COc1nn(C)cc1C(=O)N1CCC[C@@H](C1)C(=O)N1CC[NH+](CC1)[*:1]
COc1nn(C)cc1C(=O)N1CCC[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 COc1nn(C)cc1[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N1CC[NH+](CC1)C1CCCCC1
Cc1cc(NC[C@](C)(O)CO)ncc1[N+](=O)[O-] C[C@](O)(CO)[*:1] Cc1cc(ncc1[N+](=O)[O-])NC[*:1]
Cc1cc(NC[C@](C)(O)CO)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])NC[C@](C)(O)CO
CCCCN(C)C(=O)C(=O)NCC[NH3+] CCCC[*:1] CN(C(=O)C(=O)NCC[NH3+])[*:1]
CCCCN(C)C(=O)C(=O)NCC[NH3+] [NH3+]CC[*:1] CCCCN(C)C(=O)C(=O)N[*:1]
CCCCN(C)C(=O)C(=O)NCC[NH3+] CCC[*:1] CN(C[*:1])C(=O)C(=O)NCC[NH3+]
Cc1n[nH]cc1C[NH+](Cc1ccc(F)cc1)C(C)(C)C CC(C)(C)[*:1] Cc1n[nH]cc1C[NH+](Cc1ccc(F)cc1)[*:1]
Cc1n[nH]cc1C[NH+](Cc1ccc(F)cc1)C(C)(C)C Cc1n[nH]cc1[*:1] CC(C)(C)[NH+](Cc1ccc(F)cc1)C[*:1]
C=CCOc1ccc(C(=O)N[C@H](CC)c2ccccc2)cc1Br c1ccc(cc1)[*:1] C=CCOc1ccc(cc1Br)C(=O)N[C@H](CC)[*:1]
C=CCOc1ccc(C(=O)N[C@H](CC)c2ccccc2)cc1Br C=CCO[*:1] CC[C@@H](NC(=O)c1ccc(c(Br)c1)[*:1])c1ccccc1
C=CCOc1ccc(C(=O)N[C@H](CC)c2ccccc2)cc1Br C=CC[*:1] CC[C@@H](NC(=O)c1ccc(O[*:1])c(Br)c1)c1ccccc1
C#CCN(CC#C)CCCS(=O)(=O)CC CCS(=O)(=O)[*:1] C#CCN(CC#C)CCC[*:1]
C#CCN(CC#C)CCCS(=O)(=O)CC C#CC[*:1] C#CCN(CCCS(=O)(=O)CC)[*:1]
Cc1csc2nc(COC(=O)C(c3ccccc3)c3ccccc3)cc(=O)n12 c1ccc(cc1)[*:1] Cc1csc2nc(cc(=O)n12)COC(=O)C(c1ccccc1)[*:1]
COc1cccc(C[C@]2(c3ccc(C)cc3)NC(N)=NC2=O)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)C[C@@]1(NC(N)=NC1=O)[*:1]
C[C@H]1OCC[C@H]1C(=O)Nc1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1cccc(c1)[*:1]
C[C@H]1OCC[C@H]1C(=O)Nc1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1cccc(c1)C[*:1]
Cc1cc(C)cc(NC(=O)C[C@@H]([NH2+]Cc2ccccc2)C(=O)[O-])c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)C[C@@H]([NH2+][*:1])C(=O)[O-]
Cc1cc(C)cc(NC(=O)C[C@@H]([NH2+]Cc2ccccc2)C(=O)[O-])c1 Cc1cc(C)cc(c1)[*:1] O=C(C[C@@H]([NH2+]Cc1ccccc1)C(=O)[O-])N[*:1]
Cc1cc(C)cc(NC(=O)C[C@@H]([NH2+]Cc2ccccc2)C(=O)[O-])c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)C[C@@H]([NH2+]C[*:1])C(=O)[O-]
C[C@@H]1CCCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 CS(=O)(=O)[*:1] C[C@@H]1CCCN(C1)C(=O)N[C@@H](C[*:1])c1ccccc1
C[C@@H]1CCCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)N[C@@H](CS(C)(=O)=O)[*:1]
C[C@@H]1CCCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 CS(=O)(=O)C[*:1] C[C@@H]1CCCN(C1)C(=O)N[C@@H](c1ccccc1)[*:1]
O=C1C[C@H](c2ccc(F)cc2F)[C@H]2C(=O)N=C(SCc3ccccc3Cl)N=C2N1 Fc1ccc(c(F)c1)[*:1] O=C1C[C@H]([C@H]2C(=O)N=C(N=C2N1)SCc1ccccc1Cl)[*:1]
O=C1C[C@H](c2ccc(F)cc2F)[C@H]2C(=O)N=C(SCc3ccccc3Cl)N=C2N1 Clc1ccccc1C[*:1] O=C1C[C@H](c2ccc(F)cc2F)[C@H]2C(=O)N=C(N=C2N1)S[*:1]
O=C1C[C@H](c2ccc(F)cc2F)[C@H]2C(=O)N=C(SCc3ccccc3Cl)N=C2N1 Clc1ccccc1[*:1] O=C1C[C@H](c2ccc(F)cc2F)[C@H]2C(=O)N=C(N=C2N1)SC[*:1]
CC(C)(C)OC(=O)N[C@@H](CS)C(=O)CO CC(C)(C)[*:1] O=C(N[C@@H](CS)C(=O)CO)O[*:1]
CC(C)(C)OC(=O)N[C@@H](CS)C(=O)CO O=C(CO)[*:1] CC(C)(C)OC(=O)N[C@@H](CS)[*:1]
O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] O=C(C[*:1])NCC(=O)NNC(=O)c1cc(nc2ccccc12)-c1ccccc1
O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 O=C(Cc1ccccc1)N[*:1] O=C(C[*:1])NNC(=O)c1cc(nc2ccccc12)-c1ccccc1
O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)C[*:1] O=C(CNC(=O)[*:1])NNC(=O)c1cc(nc2ccccc12)-c1ccccc1
O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1cc(nc2ccccc12)[*:1]
O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 O=C(Cc1ccccc1)NC[*:1] O=C(NNC(=O)[*:1])c1cc(nc2ccccc12)-c1ccccc1
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@H](Sc2ccccn2)C1 O=C([O-])[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)Sc1ccccn1)[*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@H](Sc2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)S[*:1])C(=O)[O-]
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@H](Sc2ccccn2)C1 CC(C)[*:1] O=C([O-])[C@@]1(CC[C@@H](C1)Sc1ccccn1)[NH2+][*:1]
CCCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc(C)cc1 CC(C)[*:1] CCCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)O[*:1])[C@@H]2c1ccc(C)cc1
CCCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc(C)cc1 CC(C)OC(=O)[*:1] CCCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C([C@@H]2c1ccc(C)cc1)[*:1]
CCCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OC(C)C)[C@H]2[*:1]
CCCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc(C)cc1 CCC[*:1] CC1NC2=NC(=NC(=O)[C@@H]2[C@H](C=1C(=O)OC(C)C)c1ccc(C)cc1)S[*:1]
CC(C)(C)c1csc(C[C@H]2CCc3ccccc3[C@H]2O)n1 CC(C)(C)[*:1] O[C@@H]1c2ccccc2CC[C@@H]1Cc1nc(cs1)[*:1]
Cc1nc(N2CCN(c3cccc(C)c3C)CC2)c2oc3ccccc3c2n1 Cc1cccc(c1C)[*:1] Cc1nc(c2oc3ccccc3c2n1)N1CCN(CC1)[*:1]
O=C(CCCc1ccccc1)NNC(=O)c1csc(-c2ncccn2)n1 c1ccc(cc1)C[*:1] O=C(CC[*:1])NNC(=O)c1csc(n1)-c1ncccn1
O=C(CCCc1ccccc1)NNC(=O)c1csc(-c2ncccn2)n1 c1ccc(cc1)[*:1] O=C(CCC[*:1])NNC(=O)c1csc(n1)-c1ncccn1
O=C(CCCc1ccccc1)NNC(=O)c1csc(-c2ncccn2)n1 c1cnc(nc1)[*:1] O=C(CCCc1ccccc1)NNC(=O)c1csc(n1)[*:1]
O=C(CCCc1ccccc1)NNC(=O)c1csc(-c2ncccn2)n1 c1ccc(cc1)CC[*:1] O=C(C[*:1])NNC(=O)c1csc(n1)-c1ncccn1
O=C(c1cccc(Cl)c1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(c1cccc(Cl)c1)N1CCC2(CC1)SCC(=O)N2[*:1]
O=C(c1cccc(Cl)c1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1 Clc1cccc(c1)[*:1] O=C1CSC2(CCN(CC2)C(=O)[*:1])N1c1ccc(F)cc1
Cc1cc(NCCS(C)(=O)=O)[nH+]c2ccccc12 CS(=O)(=O)CC[*:1] Cc1cc(N[*:1])[nH+]c2ccccc12
Cc1cc(NCCS(C)(=O)=O)[nH+]c2ccccc12 CS(=O)(=O)[*:1] Cc1cc(NCC[*:1])[nH+]c2ccccc12
Cc1cc(NCCS(C)(=O)=O)[nH+]c2ccccc12 CS(=O)(=O)C[*:1] Cc1cc(NC[*:1])[nH+]c2ccccc12
O=C([C@@H]1CCCN(c2ncnc3[nH]cnc23)C1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCN(C1)c1ncnc2[nH]cnc12)N1CCC(CC1)C[*:1]
O=C([C@@H]1CCCN(c2ncnc3[nH]cnc23)C1)N1CCC(Cc2ccccc2)CC1 c1nc(c2nc[nH]c2n1)[*:1] O=C([C@@H]1CCCN(C1)[*:1])N1CCC(CC1)Cc1ccccc1
O=C([C@@H]1CCCN(c2ncnc3[nH]cnc23)C1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C([C@@H]1CCCN(C1)c1ncnc2[nH]cnc12)N1CCC(CC1)[*:1]
COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cc(=O)c5ccccc5o4)ccc32)cc1 O=c1cc(oc2ccccc12)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc21)NC(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cc(=O)c5ccccc5o4)ccc32)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1])c1cc(=O)c2ccccc2o1
COc1ccc(CN(C(=O)Cn2c(-c3cscn3)nc3ccccc32)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)Cn1c(nc2ccccc21)-c1cscn1)[*:1]
COc1ccc(CN(C(=O)Cn2c(-c3cscn3)nc3ccccc32)C2CC2)cc1 c1nc(cs1)[*:1] COc1ccc(cc1)CN(C(=O)Cn1c(nc2ccccc21)[*:1])C1CC1
COc1ccc(CN(C(=O)Cn2c(-c3cscn3)nc3ccccc32)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1c(nc2ccccc21)-c1cscn1)N(C[*:1])C1CC1
COc1ccc(CN(C(=O)Cn2c(-c3cscn3)nc3ccccc32)C2CC2)cc1 COc1ccc(cc1)C[*:1] O=C(Cn1c(nc2ccccc21)-c1cscn1)N(C1CC1)[*:1]
CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)c3)nn12 COc1c(Cl)cc(cc1Cl)[*:1] CCc1nnc2sc(nn12)-c1ccc(OC)c(c1)NC(=O)[*:1]
CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)c3)nn12 CCc1nnc2sc(nn12)[*:1] COc1ccc(cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1)[*:1]
CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)NC(=O)N[C@H](C)C(=O)N[*:1]
CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(OC)cc1 CCCNC(=O)[*:1] COc1ccc(cc1)NC(=O)N[C@H](C)[*:1]
COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)ccc1O Cc1ccc(cc1Cl)[*:1] COc1cc(ccc1O)[C@H]1SCC(=O)Nc2c1c(C)nn2[*:1]
COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)ccc1O COc1cc(ccc1O)[*:1] Cc1ccc(cc1Cl)-n1nc(C)c2c1NC(=O)CS[C@@H]2[*:1]
CCN1CCC(C(=O)C(F)(F)F)=C1[O-] FC(F)(F)[*:1] CCN1CCC(C(=O)[*:1])=C1[O-]
CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC[NH+]1CCCCC1 CCC[*:1] O=C(NCC[NH+]1CCCCC1)[C@@H]1CCCN1S(=O)(=O)[*:1]
CCOc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1CC(=O)Nc2c1c(nn2[*:1])-c1ccccc1
CCOc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 CCO[*:1] O=C1C[C@H](c2ccc(cc2)[*:1])c2c(nn(-c3ccccc3)c2N1)-c1ccccc1
CCOc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1CC(=O)Nc2c1c(nn2-c1ccccc1)[*:1]
CCOc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 CCOc1ccc(cc1)[*:1] O=C1C[C@@H](c2c(nn(-c3ccccc3)c2N1)-c1ccccc1)[*:1]
Cc1nccn1-c1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)cn1 Cc1nccn1[*:1] O=C(Nc1ccc(nc1)[*:1])c1cnc(s1)[C@@H]1CCCO1
C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 Clc1ccccc1C[*:1] C[C@H](Oc1ccccc1Cl)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 Clc1ccccc1[*:1] C[C@H](Oc1ccccc1Cl)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 Clc1ccccc1[*:1] C[C@H](O[*:1])C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1
C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 Clc1ccccc1O[*:1] C[C@H](C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1)[*:1]
COC(=O)c1ccc(Cl)c(-c2ccc(F)cc2C(=O)[O-])c1 COC(=O)[*:1] O=C([O-])c1cc(F)ccc1-c1cc(ccc1Cl)[*:1]
COC(=O)c1ccc(Cl)c(-c2ccc(F)cc2C(=O)[O-])c1 O=C([O-])[*:1] COC(=O)c1ccc(Cl)c(c1)-c1ccc(F)cc1[*:1]
O=C1NCCN(C(=O)C[C@@H]2C=CCC2)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C1NCCN(C(=O)C[C@@H]2C=CCC2)[C@@H]1[*:1]
COC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1 COC(=O)[*:1] O=S(=O)(NC1CC[NH+](CC1)C1CC1)c1ccc(cc1)[*:1]
COC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1 C1CC1[*:1] COC(=O)c1ccc(cc1)S(=O)(=O)NC1CC[NH+](CC1)[*:1]
Nc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 O=[N+]([O-])[*:1] Nc1ccc(cc1)C(=O)N/N=C/c1cc(ccc1[O-])[*:1]
Nc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 Nc1ccc(cc1)[*:1] O=C(N/N=C/c1cc(ccc1[O-])[N+](=O)[O-])[*:1]
COC[C@H](C)CNC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] COC[C@H](C)[*:1] O=C(NC[*:1])N[C@@H]1CCCCC[C@@H]1C(=O)[O-]
COC[C@H](C)CNC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] COC[C@H](C)CNC(=O)N[C@@H]1CCCCC[C@H]1[*:1]
COC[C@H](C)CNC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] COC[*:1] C[C@H](CNC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-])[*:1]
COC[C@H](C)CNC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] COC[C@H](C)C[*:1] O=C(N[C@@H]1CCCCC[C@@H]1C(=O)[O-])N[*:1]
CC(C)NC(=O)[C@@H]1SC(=S)n2c1nc(=O)c1cc(Br)ccc12 CC(C)NC(=O)[*:1] O=c1nc2[C@@H](SC(=S)n2c2ccc(Br)cc12)[*:1]
CC(C)NC(=O)[C@@H]1SC(=S)n2c1nc(=O)c1cc(Br)ccc12 CC(C)[*:1] O=C(N[*:1])[C@@H]1SC(=S)n2c1nc(=O)c1cc(Br)ccc12
O=C(Nc1ccccc1)Nc1cnc2c(C(=O)NCc3ccco3)cccn2c1=O c1ccc(cc1)[*:1] O=C(Nc1cnc2c(cccn2c1=O)C(=O)NCc1ccco1)N[*:1]
O=C(Nc1ccccc1)Nc1cnc2c(C(=O)NCc3ccco3)cccn2c1=O c1coc(c1)[*:1] O=C(Nc1ccccc1)Nc1cnc2c(cccn2c1=O)C(=O)NC[*:1]
O=C(Nc1ccccc1)Nc1cnc2c(C(=O)NCc3ccco3)cccn2c1=O c1coc(c1)C[*:1] O=C(Nc1ccccc1)Nc1cnc2c(cccn2c1=O)C(=O)N[*:1]
O=C(Nc1ccccc1)Nc1cnc2c(C(=O)NCc3ccco3)cccn2c1=O O=C(NCc1ccco1)[*:1] O=C(Nc1ccccc1)Nc1cnc2c(cccn2c1=O)[*:1]
O=C(Nc1ccccc1)Nc1cnc2c(C(=O)NCc3ccco3)cccn2c1=O O=C(Nc1ccccc1)N[*:1] O=C(NCc1ccco1)c1cccn2c(=O)c(cnc12)[*:1]
CCC[NH2+][C@@H]([C@@H]1COCCO1)[C@H]1CCc2cccnc21 C1CO[C@@H](CO1)[*:1] CCC[NH2+][C@@H]([C@H]1CCc2cccnc21)[*:1]
CCC[NH2+][C@@H]([C@@H]1COCCO1)[C@H]1CCc2cccnc21 CCC[*:1] c1cnc2c(c1)CC[C@@H]2[C@@H]([NH2+][*:1])[C@@H]1COCCO1
COCC[C@H](C)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 COC[*:1] C[C@@H](C[*:1])C(=O)Nc1ccc(cc1)C(=O)N1CCCC[C@H]1C
COCC[C@H](C)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 COCC[C@H](C)[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)[*:1]
COCC[C@H](C)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 COCC[*:1] C[C@H](C(=O)Nc1ccc(cc1)C(=O)N1CCCC[C@H]1C)[*:1]
Cn1cc(C(=O)Nc2cccc(OCCCC#N)c2)c(-c2ccccc2)n1 N#CCCCO[*:1] Cn1cc(C(=O)Nc2cccc(c2)[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)Nc2cccc(OCCCC#N)c2)c(-c2ccccc2)n1 N#CCCC[*:1] Cn1cc(C(=O)Nc2cccc(c2)O[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)Nc2cccc(OCCCC#N)c2)c(-c2ccccc2)n1 N#CC[*:1] Cn1cc(C(=O)Nc2cccc(c2)OCC[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)Nc2cccc(OCCCC#N)c2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)Nc2cccc(c2)OCCCC#N)c(n1)[*:1]
Cn1cc(C(=O)Nc2cccc(OCCCC#N)c2)c(-c2ccccc2)n1 N#CCC[*:1] Cn1cc(C(=O)Nc2cccc(c2)OC[*:1])c(n1)-c1ccccc1
CCN(C(=O)CSc1cc(C#N)ccn1)[C@H](C)c1ccc(F)cc1 N#Cc1ccnc(c1)[*:1] CCN(C(=O)CS[*:1])[C@H](C)c1ccc(F)cc1
CCN(C(=O)CSc1cc(C#N)ccn1)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)CSc1cc(C#N)ccn1)[C@H](C)[*:1]
Cc1ccc(C)c(OCC2=C[C@@H](C(=O)NC[C@H]3N=NC4=C3CCC4)NO2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NC[C@H]1N=NC2CCCC=21)[C@@H]1C=C(CO[*:1])ON1
Cc1ccc(C)c(OCC2=C[C@@H](C(=O)NC[C@H]3N=NC4=C3CCC4)NO2)c1 Cc1ccc(C)c(c1)O[*:1] O=C(NC[C@H]1N=NC2CCCC=21)[C@@H]1C=C(C[*:1])ON1
C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[*:1]
C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)[*:1]
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 Cc1cc(cc(C)c1Cl)[*:1] COc1ccc(cc1NC(=O)CO[*:1])-c1ccc(CO)o1
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 OCc1ccc(o1)[*:1] COc1ccc(cc1NC(=O)COc1cc(C)c(Cl)c(C)c1)[*:1]
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(F)c1)c1cccc2ccccc12 Fc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1cccc2ccccc12
C[C@H](NC(=O)c1ccc(Cl)o1)c1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(Cl)o1)c1nc(no1)[*:1]
C[C@H](NC(=O)c1ccc(Cl)o1)c1nc(-c2ccc(F)cc2)no1 Clc1ccc(o1)[*:1] C[C@H](NC(=O)[*:1])c1nc(no1)-c1ccc(F)cc1
CC[NH+]1CCN(c2ncc3c(n2)CN(c2ccccc2)C3=O)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)c1ncc2C(=O)N(Cc2n1)[*:1]
CCc1nn(C)cc1CNS(=O)(=O)c1cc(OC)c(OC)cc1C CCc1nn(C)cc1[*:1] COc1cc(C)c(cc1OC)S(=O)(=O)NC[*:1]
CC[NH2+]CC/C=C/c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] CC[NH2+]CC/C=C/c1cccc(c1)O[*:1]
CC[NH2+]CC/C=C/c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] CC[NH2+]CC/C=C/c1cccc(c1)[*:1]
CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 CCS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1cc(ccc1Cl)[*:1]
CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] CCS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(cc1)[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)n1 CCc1ccccc1[*:1] O=C(c1nn(cc1[O-])[*:1])N1C[C@H]2CCCC[C@@H]2C1
Cc1ccnc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 c1n[nH]cc1[*:1] Cc1ccnc(n1)[C@H]1CCCN1S(=O)(=O)[*:1]
O=C1CCc2cc(S(=O)(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)ccc2N1 FC(F)(F)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N[C@H]1CCC[C@H](C1)[*:1]
Cc1c(NC(=O)CC2CCCC2)c(=O)n(-c2ccccc2)n1C C1CCC(C1)C[*:1] Cc1c(NC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)CC2CCCC2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)CC2CCCC2)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)CC2CCCC2)c(=O)n(-c2ccccc2)n1C C1CCC(C1)[*:1] Cc1c(NC(=O)C[*:1])c(=O)n(-c2ccccc2)n1C
CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)C2CCOCC2)C1=O CCCC[*:1] O=C(CN1C(=O)N[C@](C1=O)(c1ccccc1)[*:1])C1CCOCC1
CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)C2CCOCC2)C1=O O=C(C1CCOCC1)[*:1] CCCC[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)C2CCOCC2)C1=O CCC[*:1] O=C(CN1C(=O)N[C@@](C[*:1])(C1=O)c1ccccc1)C1CCOCC1
CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)C2CCOCC2)C1=O C1CC(CCO1)[*:1] CCCC[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccccc1
CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)C2CCOCC2)C1=O c1ccc(cc1)[*:1] CCCC[C@@]1(NC(=O)N(CC(=O)C2CCOCC2)C1=O)[*:1]
CC(=O)c1cc[n+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 CC(=O)[*:1] C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[n+]1ccc(cc1)[*:1]
Cc1occc1C(=O)NCC(=O)Nc1c[nH]cc(Br)c1=O Cc1occc1[*:1] O=C(CNC(=O)[*:1])Nc1c[nH]cc(Br)c1=O
Cc1ccccc1[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H](C)CO1 Cc1ccccc1[*:1] CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](OC[C@@H]1C)[*:1]
Cc1ccccc1[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H](C)CO1 CC(C)[*:1] Cc1ccccc1[C@H]1CN(C(=O)CCn2cc[nH+]c2[*:1])[C@@H](C)CO1
C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 O=C(N[*:1])N1CCCC1 C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(c1)[*:1]
CC(=O)N1CCC(C(=O)NCC[C@H](C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)C(=O)NCC[C@H](C)[*:1]
Cc1ccccc1C(=O)NCC#CC[NH+](C(C)C)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)NCC#CC[NH+](C(C)C)[*:1]
Cc1ccccc1C(=O)NCC#CC[NH+](C(C)C)C(C)C Cc1ccccc1[*:1] CC(C)[NH+](CC#CCNC(=O)[*:1])C(C)C
C(/C=C/c1sc(N2CCCC2)nc1[NH+]1CCCC1)=C1/SC(=[N+]2CCCC2)N=C1N1CCCC1 C1CCN(C1)[*:1] C(/C=C/c1sc(nc1[NH+]1CCCC1)[*:1])=C1/SC(N=C1N1CCCC1)=[N+]1CCCC1
O=C(c1ccc[nH]c1=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1 C1CC1[*:1] O=C(c1ccc[nH]c1=O)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
O=C(c1ccc[nH]c1=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1 O=c1[nH]cccc1[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C1CC1)[*:1]
O=C(c1ccc[nH]c1=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1 C1CC1c1nc(no1)[*:1] O=C(c1ccc[nH]c1=O)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CS(=O)(=O)CCSCc1cc(=O)n2cc(Cl)ccc2n1 CS(=O)(=O)[*:1] O=c1cc(CSCC[*:1])nc2ccc(Cl)cn12
CS(=O)(=O)CCSCc1cc(=O)n2cc(Cl)ccc2n1 CS(=O)(=O)CC[*:1] O=c1cc(CS[*:1])nc2ccc(Cl)cn12
CS(=O)(=O)CCSCc1cc(=O)n2cc(Cl)ccc2n1 CS(=O)(=O)C[*:1] O=c1cc(CSC[*:1])nc2ccc(Cl)cn12
COc1ccc(C)cc1[C@@H](C)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 COc1ccc(C)cc1[*:1] C[C@@H](NC(=O)CCC(=O)c1ccc2OCCOc2c1)[*:1]
CNC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1 CNC(=O)N[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccccc1[*:1]
NC(=O)[C@H]1CCC[C@H]1NC(=O)C1=Cc2cc(F)ccc2OC1 NC(=O)[*:1] O=C(N[C@@H]1CCC[C@@H]1[*:1])C1=Cc2cc(F)ccc2OC1
O=C(Nc1nc2c(s1)CN(C(=O)C1CC1)CC2)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(C1CC1)N1CCc2nc(NC(=O)[*:1])sc2C1
O=C(Nc1nc2c(s1)CN(C(=O)C1CC1)CC2)[C@@H]1CCCO1 C1CC1[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])[C@@H]1CCCO1
COc1ccc([C@]2(C)NC(=O)N(/N=C/c3c(C)nn(-c4ccccc4)c3C)C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@]1(C)NC(=O)N(/N=C/c2c(C)nn(c2C)[*:1])C1=O
COc1ccc([C@]2(C)NC(=O)N(/N=C/c3c(C)nn(-c4ccccc4)c3C)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=N/N1C(=O)N[C@@](C)(C1=O)[*:1]
COc1cc(Cl)ccc1C(=O)N[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cc(Cl)ccc1C(=O)N[C@@H](C)[*:1]
Cc1cccc([C@H]2CCCN2C(=O)NCc2cccc(CO)c2)c1C Cc1cccc(c1C)[*:1] O=C(NCc1cccc(c1)CO)N1CCC[C@@H]1[*:1]
Cc1cccc([C@H]2CCCN2C(=O)NCc2cccc(CO)c2)c1C OCc1cccc(c1)[*:1] Cc1cccc(c1C)[C@H]1CCCN1C(=O)NC[*:1]
CN1CC2(CC[NH+](C3CCN(c4ccc(F)c(F)c4)CC3)CC2)CC1=O Fc1ccc(cc1F)[*:1] CN1CC2(CC[NH+](CC2)C2CCN(CC2)[*:1])CC1=O
CCOC(=O)c1noc2nc(C)nc(NCCC3=CCCCC3)c12 CCOC(=O)[*:1] Cc1nc(NCCC2=CCCCC2)c2c(noc2n1)[*:1]
COc1ccc(CCC(=O)NCc2ccccc2Cl)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)CCC(=O)NC[*:1]
CSc1ccccc1[C@H](Cl)[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] CSc1ccccc1[C@H](Cl)[C@@H](C)[*:1]
CCn1ccnc1/C=C/C(=O)N[C@H]1[C@@H](C)[C@H](OC)C1(CC)CC CCn1ccnc1[*:1] CCC1(CC)[C@@H](NC(=O)C=C[*:1])[C@@H](C)[C@@H]1OC
COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCc1cccc(F)c1 Fc1cccc(c1)C[*:1] COc1ccc(cc1C(=O)NCC[*:1])S(N)(=O)=O
COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCc1cccc(F)c1 NS(=O)(=O)[*:1] COc1ccc(cc1C(=O)NCCCc1cccc(F)c1)[*:1]
COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCc1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccc(cc1C(=O)NCCC[*:1])S(N)(=O)=O
C#CCNCC(=O)N(C)Cc1ccccn1 C#CCNC[*:1] CN(Cc1ccccn1)C(=O)[*:1]
C#CCNCC(=O)N(C)Cc1ccccn1 C#CCN[*:1] CN(Cc1ccccn1)C(=O)C[*:1]
C#CCNCC(=O)N(C)Cc1ccccn1 C#CC[*:1] CN(Cc1ccccn1)C(=O)CN[*:1]
CC(C)Cc1nnc(NC(=O)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)s1 CC(C)[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)C(=O)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)s1 CC(C)Cc1nnc(s1)[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)C(=O)N[*:1]
CC(C)Cc1nnc(NC(=O)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)s1 c1ccc(cc1)[*:1] CC(C)Cc1nnc(NC(=O)C(=O)NC[C@@H]2CCN(C2)[*:1])s1
CC(C)Cc1nnc(NC(=O)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)s1 CC(C)C[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)C(=O)Nc1nnc(s1)[*:1]
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(Oc2ccccc2)c1 c1coc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1cccc(c1)Oc1ccccc1
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(c1)O[*:1]
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(c1)[*:1]
COc1ccc(-c2nnn(CC(=O)NCc3cccs3)n2)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)-c1nnn(CC(=O)NC[*:1])n1
COc1ccc(-c2nnn(CC(=O)NCc3cccs3)n2)cc1OC c1csc(c1)C[*:1] COc1ccc(cc1OC)-c1nnn(CC(=O)N[*:1])n1
COC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1NC(=O)Nc1c(C)nn(C(C)C)c1C COC(=O)[*:1] Cc1nn(c(C)c1NC(=O)N[C@H]1[C@H]([C@H]2CC[C@@H]1C2)[*:1])C(C)C
COC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1NC(=O)Nc1c(C)nn(C(C)C)c1C CC(C)[*:1] COC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1NC(=O)Nc1c(C)nn(c1C)[*:1]
CCc1onc(C)c1NC(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1onc(C)c1NC(=O)c1ccccc1[*:1]
CSCC[C@H](NC(=O)CC1=c2ccccc2=[NH+]C1)C(=O)[O-] CSC[*:1] O=C(CC1C[NH+]=c2ccccc2=1)N[C@@H](C[*:1])C(=O)[O-]
CSCC[C@H](NC(=O)CC1=c2ccccc2=[NH+]C1)C(=O)[O-] O=C([O-])[*:1] CSCC[C@H](NC(=O)CC1C[NH+]=c2ccccc2=1)[*:1]
CSCC[C@H](NC(=O)CC1=c2ccccc2=[NH+]C1)C(=O)[O-] CSCC[*:1] O=C(CC1C[NH+]=c2ccccc2=1)N[C@H](C(=O)[O-])[*:1]
NO[S@@](=O)c1ccc(/N=C/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] NO[S@@](=O)c1ccc(cc1)/N=C/C=C[*:1]
Cc1ccc(CNc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Cn1cc(cn1)NC[*:1]
COC(=O)[C@H]1CN(C(=O)c2cscn2)C[C@@H]1c1ccc(F)cc1 c1nc(cs1)[*:1] COC(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)[*:1]
COC(=O)[C@H]1CN(C(=O)c2cscn2)C[C@@H]1c1ccc(F)cc1 COC(=O)[*:1] O=C(c1cscn1)N1C[C@H](c2ccc(F)cc2)[C@H](C1)[*:1]
COC(=O)[C@H]1CN(C(=O)c2cscn2)C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@H]1CN(C[C@H]1[*:1])C(=O)c1cscn1
CCn1c(C[C@H](O)c2ncccc2C)nc2ccccc21 Cc1cccnc1[*:1] CCn1c(C[C@H](O)[*:1])nc2ccccc21
NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 NC(=O)[*:1] O=C(/C=C/c1ccccc1)Nc1nc(cs1)C[*:1]
NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 NC(=O)C[*:1] O=C(/C=C/c1ccccc1)Nc1nc(cs1)[*:1]
NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 c1ccc(cc1)[*:1] NC(=O)Cc1csc(n1)NC(=O)C=C[*:1]
CC(C)[C@@H](C)NC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](C)NC(=O)N[C@@H]1CCCCC[C@H]1[*:1]
CC(C)[C@@H](C)NC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] CC(C)[C@@H](C)[*:1] O=C(N[C@@H]1CCCCC[C@@H]1C(=O)[O-])N[*:1]
CC(C)[C@@H](C)NC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] CC(C)[*:1] C[C@@H](NC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-])[*:1]
C[C@@]1(C(=O)NCc2ccccc2)CCC(=O)N1Cc1ccccc1Cl Clc1ccccc1[*:1] C[C@]1(CCC(=O)N1C[*:1])C(=O)NCc1ccccc1
C[C@@]1(C(=O)NCc2ccccc2)CCC(=O)N1Cc1ccccc1Cl c1ccc(cc1)C[*:1] C[C@]1(CCC(=O)N1Cc1ccccc1Cl)C(=O)N[*:1]
C[C@@]1(C(=O)NCc2ccccc2)CCC(=O)N1Cc1ccccc1Cl c1ccc(cc1)[*:1] C[C@]1(CCC(=O)N1Cc1ccccc1Cl)C(=O)NC[*:1]
C[C@@]1(C(=O)NCc2ccccc2)CCC(=O)N1Cc1ccccc1Cl Clc1ccccc1C[*:1] C[C@]1(CCC(=O)N1[*:1])C(=O)NCc1ccccc1
CCOC(=O)N1CCC([NH2+]C[C@@]2(O)CCCN(CC(C)(C)C)C2=O)CC1 CC(C)(C)C[*:1] CCOC(=O)N1CCC(CC1)[NH2+]C[C@@]1(O)CCCN(C1=O)[*:1]
CCOC(=O)N1CCC([NH2+]C[C@@]2(O)CCCN(CC(C)(C)C)C2=O)CC1 CC(C)(C)[*:1] CCOC(=O)N1CCC(CC1)[NH2+]C[C@@]1(O)CCCN(C[*:1])C1=O
Cc1nc(CC(C)C)c(NC(=O)N[C@H](CO)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1nc(CC(C)C)c(NC(=O)N[C@H](CO)[*:1])s1
Cc1nc(CC(C)C)c(NC(=O)N[C@H](CO)c2ccc(Cl)cc2)s1 CC(C)C[*:1] Cc1nc(c(NC(=O)N[C@H](CO)c2ccc(Cl)cc2)s1)[*:1]
Cc1nc(CC(C)C)c(NC(=O)N[C@H](CO)c2ccc(Cl)cc2)s1 CC(C)[*:1] Cc1nc(C[*:1])c(NC(=O)N[C@H](CO)c2ccc(Cl)cc2)s1
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)C[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 Clc1ccc(O[*:1])c(Cl)c1 C[C@@H](C(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 Clc1ccc(c(Cl)c1)[*:1] C[C@@H](O[*:1])C(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1
CC[C@H](C)c1ccccc1NC(=O)c1snnc1C CC[C@H](C)[*:1] Cc1nnsc1C(=O)Nc1ccccc1[*:1]
CC[C@H](C)c1ccccc1NC(=O)c1snnc1C Cc1nnsc1[*:1] CC[C@H](C)c1ccccc1NC(=O)[*:1]
Cc1nc(CN(C)[C@H](C[NH3+])c2cccc(C3CC3)c2)cs1 Cc1nc(cs1)C[*:1] CN([C@H](C[NH3+])c1cccc(c1)C1CC1)[*:1]
Cc1nc(CN(C)[C@H](C[NH3+])c2cccc(C3CC3)c2)cs1 Cc1nc(cs1)[*:1] CN(C[*:1])[C@H](C[NH3+])c1cccc(c1)C1CC1
Cc1nc(CN(C)[C@H](C[NH3+])c2cccc(C3CC3)c2)cs1 C1CC1[*:1] Cc1nc(cs1)CN(C)[C@H](C[NH3+])c1cccc(c1)[*:1]
COC(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 COC(=O)[*:1] O=c1c2ccccc2nc(SC[*:1])n1CCC1=CCCCC1
COC(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 COC(=O)CS[*:1] O=c1c2ccccc2nc(n1CCC1=CCCCC1)[*:1]
COC(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 COC(=O)C[*:1] O=c1c2ccccc2nc(S[*:1])n1CCC1=CCCCC1
Cc1ccc(C2=NN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)[C@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[*:1]
Cc1ccc(C2=NN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)[C@H](c3ccco3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1N=C(C[C@H]1c1ccco1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1 COC(=O)C(C)(C)[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)C(=O)c1cc(=O)[nH]c2ccccc12)[*:1]
COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3C)cc1 COCC[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3C)cc1 COCCNS(=O)(=O)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(cc1)[*:1]
COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3C)cc1 COC[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
CC1([C@H]([NH3+])Cc2nc3ccccc3s2)CCCC1 CC1(CCCC1)[*:1] [NH3+][C@H](Cc1nc2ccccc2s1)[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1Br O=C([O-])[*:1] C[C@H]1[C@@H](CCN1C(=O)c1cc(ccc1Br)[N+](=O)[O-])[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])ccc1Br O=[N+]([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)c1cc(ccc1Br)[*:1])C(=O)[O-]
CCCCS(=O)(=O)NCC(=O)N1CCO[C@@]2(CCc3ccccc32)C1 CCCCS(=O)(=O)N[*:1] O=C(C[*:1])N1CCO[C@@]2(CCc3ccccc32)C1
CCCCS(=O)(=O)NCC(=O)N1CCO[C@@]2(CCc3ccccc32)C1 CCC[*:1] O=C(CNS(=O)(=O)C[*:1])N1CCO[C@@]2(CCc3ccccc32)C1
CCCCS(=O)(=O)NCC(=O)N1CCO[C@@]2(CCc3ccccc32)C1 CCCC[*:1] O=C(CNS(=O)(=O)[*:1])N1CCO[C@@]2(CCc3ccccc32)C1
CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1cccs1 c1csc(c1)[*:1] CC[C@H](NS(=O)(=O)c1ccc(C)cc1)[*:1]
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccc(F)cc1)C(=O)N[*:1]
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)[*:1])C(=O)Nc1ccc2OCCOc2c1
O=c1[nH]cnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] O=c1[nH]cnc(Nc2cc(Cl)ccc2Cl)c1[*:1]
CNC(=O)c1cc(N(C)C(=O)Cc2csc(C(C)(C)C)n2)ccn1 CNC(=O)[*:1] CN(C(=O)Cc1csc(n1)C(C)(C)C)c1ccnc(c1)[*:1]
CNC(=O)c1cc(N(C)C(=O)Cc2csc(C(C)(C)C)n2)ccn1 CC(C)(C)[*:1] CNC(=O)c1cc(ccn1)N(C)C(=O)Cc1csc(n1)[*:1]
CC[C@@H](C)CN(C)C(=O)NCCc1csc(C(C)C)n1 CC[C@@H](C)C[*:1] CC(C)c1nc(cs1)CCNC(=O)N(C)[*:1]
CC[C@@H](C)CN(C)C(=O)NCCc1csc(C(C)C)n1 CC(C)[*:1] CC[C@@H](C)CN(C)C(=O)NCCc1csc(n1)[*:1]
CC[C@@H](C)CN(C)C(=O)NCCc1csc(C(C)C)n1 CC[C@@H](C)[*:1] CC(C)c1nc(cs1)CCNC(=O)N(C)C[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)NCc2ccsc2)o1 c1cc(cs1)[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)NC[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)NCc2ccsc2)o1 Cc1ccc(o1)[*:1] O=C(NCc1ccsc1)N1CCSC[C@@H]1[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)NCc2ccsc2)o1 c1cc(cs1)C[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)N[*:1]
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1cnc([C@H]2CCCO2)s1 CS(=O)(=O)[*:1] Cc1cc(ccc1NC(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)CSc2nncs2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nncs1)N1CCC(CC1)C(=O)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)CSc2nncs2)CC1 c1nnc(S[*:1])s1 O=C(c1ccccc1)C1CCN(CC1)C(=O)C[*:1]
O=C(c1ccccc1)C1CCN(C(=O)CSc2nncs2)CC1 c1nnc(s1)[*:1] O=C(c1ccccc1)C1CCN(CC1)C(=O)CS[*:1]
O=C(c1ccccc1)C1CCN(C(=O)CSc2nncs2)CC1 c1nnc(SC[*:1])s1 O=C(c1ccccc1)C1CCN(CC1)C(=O)[*:1]
COC(=O)c1sc2nc(C)nc(SCc3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)c2c1C COC(=O)[*:1] Cc1nc(SCc2nc3sc4C[C@@H](C)CCc4c3c(=O)[nH]2)c2c(C)c(sc2n1)[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)[*:1])c1cccc(Br)c1
C#CCOC(=O)c1ccc(COc2ccc(C#N)cc2)o1 C#CC[*:1] N#Cc1ccc(cc1)OCc1ccc(o1)C(=O)O[*:1]
C#CCOC(=O)c1ccc(COc2ccc(C#N)cc2)o1 C#CCOC(=O)[*:1] N#Cc1ccc(cc1)OCc1ccc(o1)[*:1]
C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1cnn(C)c1 c1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H]1CCCN(C[*:1])C1=O)c1cnn(C)c1
C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1cnn(C)c1 c1ccc(cc1)C[*:1] C[C@@H]([NH2+][C@@H]1CCCN(C1=O)[*:1])c1cnn(C)c1
C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2c1 CC(=O)N[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1ccc(cc1)Cc1ccccc1
CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc2nc(NC(=O)c3ccc(cc3)C[*:1])sc2c1
CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2c1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc2nc(NC(=O)c3ccc(cc3)[*:1])sc2c1
CCc1ncc(CN(C)C(=O)c2c[nH]nc2-c2ccc(OC)cc2)s1 COc1ccc(cc1)[*:1] CCc1ncc(CN(C)C(=O)c2c[nH]nc2[*:1])s1
CCc1ncc(CN(C)C(=O)c2c[nH]nc2-c2ccc(OC)cc2)s1 CCc1ncc(s1)[*:1] COc1ccc(cc1)-c1n[nH]cc1C(=O)N(C)C[*:1]
CCc1ncc(CN(C)C(=O)c2c[nH]nc2-c2ccc(OC)cc2)s1 CCc1ncc(C[*:1])s1 COc1ccc(cc1)-c1n[nH]cc1C(=O)N(C)[*:1]
Cc1sc2nc(CS[C@H](C)C(=O)NC(C)(C)C)[nH]c(=O)c2c1C CC(C)(C)[*:1] Cc1sc2nc(CS[C@H](C)C(=O)N[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CS[C@H](C)C(=O)NC(C)(C)C)[nH]c(=O)c2c1C CC(C)(C)NC(=O)[*:1] Cc1sc2nc(CS[C@H](C)[*:1])[nH]c(=O)c2c1C
C[NH+]1CCc2c(c3ccccc3n2C#Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+]1CCc2c(C1)c1ccccc1n2C#C[*:1]
Cc1nc(CC(CO)(CO)Cc2ccccc2)sc1C c1ccc(cc1)[*:1] Cc1nc(CC(CO)(CO)C[*:1])sc1C
N#Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 FC(F)(F)C[*:1] N#Cc1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
N#Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCC(F)(F)F)c1ccc(cc1)S(=O)(=O)NC[*:1]
N#Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 O=C(NCC(F)(F)F)[*:1] N#Cc1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)[*:1]
N#Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
N#Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 N#Cc1ccc(cc1)C[*:1] O=C(NCC(F)(F)F)c1ccc(cc1)S(=O)(=O)N[*:1]
C[C@@H](O)[C@@H](NC(=O)CSc1ccncc1)C(=O)[O-] C[C@@H](O)[*:1] O=C(CSc1ccncc1)N[C@@H](C(=O)[O-])[*:1]
C[C@@H](O)[C@@H](NC(=O)CSc1ccncc1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](O)[C@@H](NC(=O)CSc1ccncc1)[*:1]
C[C@@H](O)[C@@H](NC(=O)CSc1ccncc1)C(=O)[O-] c1cc(ccn1)[*:1] C[C@@H](O)[C@@H](NC(=O)CS[*:1])C(=O)[O-]
Cc1ccc2ncc(C(=O)N[C@@H](CC(N)=O)C3CCCCC3)c(=O)n2c1 C1CCC(CC1)[*:1] Cc1ccc2ncc(C(=O)N[C@@H](CC(N)=O)[*:1])c(=O)n2c1
Cc1ccc2ncc(C(=O)N[C@@H](CC(N)=O)C3CCCCC3)c(=O)n2c1 NC(=O)C[*:1] Cc1ccc2ncc(C(=O)N[C@@H](C3CCCCC3)[*:1])c(=O)n2c1
Cc1ccc2ncc(C(=O)N[C@@H](CC(N)=O)C3CCCCC3)c(=O)n2c1 NC(=O)[*:1] Cc1ccc2ncc(C(=O)N[C@@H](C[*:1])C3CCCCC3)c(=O)n2c1
O=C1Cc2cc(C(=O)CSc3nnc(-c4ccncc4)o3)c(Cl)cc2N1 c1cc(ccn1)[*:1] O=C1Cc2cc(C(=O)CSc3nnc(o3)[*:1])c(Cl)cc2N1
C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCOc2c(F)cc(Br)cc21 CS(=O)(=O)[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCOc2c(F)cc(Br)cc21
C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCOc2c(F)cc(Br)cc21 CS(=O)(=O)C[*:1] C[C@H]([NH2+][C@H]1CCOc2c(F)cc(Br)cc21)[*:1]
CC(C)C[C@H]1NC(=O)N(CC(=O)N[C@H](C)C(C)C)C1=O CC(C)[*:1] CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@H](C[*:1])C1=O
CC(C)C[C@H]1NC(=O)N(CC(=O)N[C@H](C)C(C)C)C1=O CC(C)C[*:1] CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@H](C1=O)[*:1]
CC(C)C[C@H]1NC(=O)N(CC(=O)N[C@H](C)C(C)C)C1=O CC(C)[C@@H](C)[*:1] CC(C)C[C@H]1NC(=O)N(CC(=O)N[*:1])C1=O
CC(C)C[C@H]1NC(=O)N(CC(=O)N[C@H](C)C(C)C)C1=O CC(C)[*:1] CC(C)C[C@H]1NC(=O)N(CC(=O)N[C@H](C)[*:1])C1=O
CC(=O)c1cccc(NC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1 CC(C)N(C)C(=O)[*:1] CC(=O)c1cccc(c1)NC(=O)N1CCC(CC1)[*:1]
CC(=O)c1cccc(NC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1 CC(=O)[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1 CC(C)[*:1] CC(=O)c1cccc(c1)NC(=O)N1CCC(CC1)C(=O)N(C)[*:1]
O=C1COc2ccc(S(=O)(=O)Nc3ccccc3F)cc2N1 Fc1ccccc1[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)N[*:1]
C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO O=[N+]([O-])[*:1] C[C@H](NC(=O)NCc1ccc(cc1)[*:1])[C@@H](C)CO
C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO C[C@@H](CO)[*:1] C[C@H](NC(=O)NCc1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)CSc1ncn[nH]1)c1sc2c(cccc2c1Cl)[*:1]
O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl c1n[nH]c(n1)S[*:1] O=C(Nc1ccc(cc1)C[*:1])c1sc2c(cccc2c1Cl)[N+](=O)[O-]
O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl c1n[nH]c(n1)SC[*:1] O=C(Nc1ccc(cc1)[*:1])c1sc2c(cccc2c1Cl)[N+](=O)[O-]
O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl c1n[nH]c(n1)[*:1] O=C(Nc1ccc(cc1)CS[*:1])c1sc2c(cccc2c1Cl)[N+](=O)[O-]
NC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)[O-] C1CC1[*:1] NC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[*:1])C(=O)[O-]
NC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)[O-] NC(=O)C[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])[C@@H]1CCCN1C(=O)C1CC1
NC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)[O-] O=C([O-])[*:1] NC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)[*:1]
NC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)[O-] NC(=O)[*:1] O=C(N[C@H](C[*:1])C(=O)[O-])[C@@H]1CCCN1C(=O)C1CC1
O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 O=[N+]([O-])[*:1] Brc1cccc(c1)C[NH2+]Cc1ccc(cc1)[*:1]
CN(CCCNC(=O)c1cnns1)c1ccccc1 c1nnsc1[*:1] CN(CCCNC(=O)[*:1])c1ccccc1
CN(CCCNC(=O)c1cnns1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCNC(=O)c1cnns1)[*:1]
CCCCC[C@H](C)N1CC(=O)N2CCCC[C@@H]2C1=O CCC[*:1] C[C@@H](CC[*:1])N1CC(=O)N2CCCC[C@@H]2C1=O
CCCCC[C@H](C)N1CC(=O)N2CCCC[C@@H]2C1=O CCCCC[*:1] C[C@H](N1CC(=O)N2CCCC[C@@H]2C1=O)[*:1]
CCCCC[C@H](C)N1CC(=O)N2CCCC[C@@H]2C1=O CCCC[*:1] C[C@@H](C[*:1])N1CC(=O)N2CCCC[C@@H]2C1=O
O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN1C(=O)C1CC1 c1csc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1CCCN1C(=O)C1CC1
O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] O=C(Nc1nc(cs1)-c1cccs1)[C@H]1CCCN1C(=O)[*:1]
CCc1nn(C)cc1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C CCc1nn(C)cc1[*:1] CC(C)[C@@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
CCc1nn(C)cc1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C CC(C)[*:1] CCc1nn(C)cc1C(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
O=C(CCC1CCCCC1)NCCN1CCN(C(=O)c2ccsc2)CC1 C1CCC(CC1)C[*:1] O=C(C[*:1])NCCN1CCN(CC1)C(=O)c1ccsc1
O=C(CCC1CCCCC1)NCCN1CCN(C(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] O=C(CCC1CCCCC1)NCCN1CCN(CC1)C(=O)[*:1]
O=C(CCC1CCCCC1)NCCN1CCN(C(=O)c2ccsc2)CC1 C1CCC(CC1)[*:1] O=C(CC[*:1])NCCN1CCN(CC1)C(=O)c1ccsc1
O=C(CCC1CCCCC1)NCCN1CCN(C(=O)c2ccsc2)CC1 C1CCC(CC1)CC[*:1] O=C(c1ccsc1)N1CCN(CCNC(=O)[*:1])CC1
CCC[C@@H]([NH2+]CC)c1cc(F)c(C)cc1F CCC[*:1] CC[NH2+][C@@H](c1cc(F)c(C)cc1F)[*:1]
COc1ccc2nc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)cn2n1 c1ccc(cc1)[*:1] COc1ccc2nc(cn2n1)-c1cccc(c1)NC(=O)C(c1ccccc1)[*:1]
C[C@H](CNC(=O)CN1CCN(c2cccc[nH+]2)CC1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CN1CCN(CC1)c1cccc[nH+]1)NC[*:1]
C[C@H](CNC(=O)CN1CCN(c2cccc[nH+]2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)CN1CCN(CC1)c1cccc[nH+]1)[*:1]
CCCNc1nnc(SCC(=O)Nc2ccccc2C)s1 CCC[*:1] Cc1ccccc1NC(=O)CSc1nnc(N[*:1])s1
CCCNc1nnc(SCC(=O)Nc2ccccc2C)s1 CCCN[*:1] Cc1ccccc1NC(=O)CSc1nnc(s1)[*:1]
CCCNc1nnc(SCC(=O)Nc2ccccc2C)s1 Cc1ccccc1[*:1] CCCNc1nnc(SCC(=O)N[*:1])s1
CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CC[C@@H](C)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 CC[C@@H](C)NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Br)cc1
Cc1cc2c(NC[C@H]([C@@H]3CCOC3)N3CCOCC3)ncnc2s1 C1C[C@H](CO1)[*:1] Cc1cc2c(ncnc2s1)NC[C@H](N1CCOCC1)[*:1]
Cc1cc2c(NC[C@H]([C@@H]3CCOC3)N3CCOCC3)ncnc2s1 C1CN(CCO1)[*:1] Cc1cc2c(ncnc2s1)NC[C@H]([C@@H]1CCOC1)[*:1]
C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)NCc1ccc(cc1)[*:1]
CSc1ccccc1-c1nnc(NC(=O)c2ccc(C)cc2)o1 Cc1ccc(cc1)[*:1] CSc1ccccc1-c1nnc(NC(=O)[*:1])o1
C=CCOC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 C=CCOC(=O)[*:1] CC1=C([C@]2(C(=O)N1CC(N)=O)C(C#N)=C(N)Oc1ccccc12)[*:1]
C=CCOC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 NC(=O)C[*:1] C=CCOC(=O)C1=C(C)N(C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12)[*:1]
C=CCOC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 NC(=O)[*:1] C=CCOC(=O)C1=C(C)N(C[*:1])C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12
C=CCOC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 C=CC[*:1] CC1=C(C(=O)O[*:1])[C@]2(C(=O)N1CC(N)=O)C(C#N)=C(N)Oc1ccccc12
O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(c(c1)[*:1])-n1ccnc1)N1CCN(CC1)c1cccc[nH+]1
O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 c1cn(cn1)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])[*:1])N1CCN(CC1)c1cccc[nH+]1
CC[NH2+]Cc1cc(CN2CCOCC2)ccc1OC C1CN(CCO1)[*:1] CC[NH2+]Cc1cc(ccc1OC)C[*:1]
O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1Br Fc1ccccc1[*:1] O=C(CN1CCN(CC1)[*:1])Nc1ccc(cc1Br)[N+](=O)[O-]
O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] O=C(CN1CCN(CC1)c1ccccc1F)Nc1ccc(cc1Br)[*:1]
CC(=O)Nc1ccc(CC(=O)NC[C@H](O)c2ccco2)cc1 CC(=O)N[*:1] O=C(Cc1ccc(cc1)[*:1])NC[C@H](O)c1ccco1
CC(=O)Nc1ccc(CC(=O)NC[C@H](O)c2ccco2)cc1 c1coc(c1)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)NC[C@H](O)[*:1]
O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3ccco3)CO[C@H]12 c1coc(c1)[*:1] O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)[*:1]
O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3ccco3)CO[C@H]12 c1ccc2c(cccc2c1)[*:1] O=C(N[*:1])O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)c1ccco1
O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3ccco3)CO[C@H]12 O=C(N[*:1])c1ccco1 O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2[*:1]
COc1ncccc1C(=O)NCc1ccco1 c1coc(c1)[*:1] COc1ncccc1C(=O)NC[*:1]
CCOc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC Clc1ccc(cc1Cl)[*:1] CCOc1cc(ccc1OC)C(=O)N(C)CC(=O)N[*:1]
CCOc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
Cc1ccc(C)c(N2CC[NH+]([C@H](c3ccc(Cl)cc3)c3nnnn3C(C)C)CC2)c1 CC(C)n1nnnc1[*:1] Cc1ccc(C)c(c1)N1CC[NH+](CC1)[C@H](c1ccc(Cl)cc1)[*:1]
Cc1ccc(C)c(N2CC[NH+]([C@H](c3ccc(Cl)cc3)c3nnnn3C(C)C)CC2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC1)[*:1]
Cc1ccc(C)c(N2CC[NH+]([C@H](c3ccc(Cl)cc3)c3nnnn3C(C)C)CC2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)N1CC[NH+](CC1)[C@H](c1ccc(Cl)cc1)c1nnnn1[*:1]
Cc1ccc(C)c(N2CC[NH+]([C@H](c3ccc(Cl)cc3)c3nnnn3C(C)C)CC2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N1CC[NH+](CC1)[C@H](c1nnnn1C(C)C)[*:1]
Cc1ccc([C@H](CNC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)[NH+](C)C)cc1 CC(C)(C)C[*:1] Cc1ccc(cc1)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)[*:1]
Cc1ccc([C@H](CNC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)[NH+](C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C[*:1])[NH+](C)C
O=C(C[NH+]1CCN(Cc2nc3ccccc3s2)CC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 c1ccc2sc(nc2c1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1
O=C(C[NH+]1CCN(Cc2nc3ccccc3s2)CC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(CC1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc2ccccc2s1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(C[NH+]1CCN(Cc2nc3ccccc3s2)CC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 c1ccc2sc(C[*:1])nc2c1 O=C(C[NH+]1CCN(CC1)[*:1])N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1
COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21 Clc1cccc(c1)[*:1] COc1ccc2NC(=O)[C@]3(c2c1)[C@H]1C(=O)N(C(=O)[C@@H]1[C@H]1CCCN13)[*:1]
COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 c1ccc(cc1)C[*:1] COc1ccccc1NC(=O)[C@H](N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)[*:1]
COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 COc1ccccc1NC(=O)[*:1] O=C1[C@@H]2[C@H](C(=O)N1[C@@H](Cc1ccccc1)[*:1])[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@H](C[*:1])N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 COc1ccccc1[*:1] O=C(N[*:1])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
COC(=O)CCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 COC(=O)CC[*:1] Cc1cc(ccc1[N+](=O)[O-])N1CCN(C[C@@H]1C)[*:1]
COC(=O)CCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 COC(=O)[*:1] Cc1cc(ccc1[N+](=O)[O-])N1CCN(CC[*:1])C[C@@H]1C
COC(=O)CCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 O=[N+]([O-])[*:1] COC(=O)CCN1CCN(c2ccc(c(C)c2)[*:1])[C@@H](C)C1
COC(=O)CCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 COC(=O)C[*:1] Cc1cc(ccc1[N+](=O)[O-])N1CCN(C[C@@H]1C)C[*:1]
C[C@H](c1ccccc1Cl)N(C)c1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] C[C@H](c1ccccc1Cl)N(C)c1cccc(F)c1[*:1]
C[C@H](c1ccccc1Cl)N(C)c1cccc(F)c1C(=O)[O-] Clc1ccccc1[*:1] C[C@H](N(C)c1cccc(F)c1C(=O)[O-])[*:1]
Cc1nn(C)c2sc(C(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)cc12 Clc1cccc(c1)C[*:1] Cc1nn(C)c2sc(cc12)C(=O)N(CC[NH+](C)C)[*:1]
Cc1nn(C)c2sc(C(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)cc12 Clc1cccc(c1)[*:1] Cc1nn(C)c2sc(cc12)C(=O)N(CC[NH+](C)C)C[*:1]
NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1 NS(=O)(=O)[*:1] O=C(c1cc2cccc(Cl)c2o1)N1CCC[C@H](C1)C[*:1]
NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1 NS(=O)(=O)C[*:1] O=C(c1cc2cccc(Cl)c2o1)N1CCC[C@H](C1)[*:1]
CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 Cc1ccc(cc1C)[*:1] CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCCC1=NN=C2OC(N)=C(C#N)[C@@H](C3=C(C)NN(c4ccccc4)[C@@H]3Cl)[C@H]12 c1ccc(cc1)[*:1] CCCC1=NN=C2OC(N)=C(C#N)[C@@H](C3=C(C)NN([C@@H]3Cl)[*:1])[C@H]12
CCCC1=NN=C2OC(N)=C(C#N)[C@@H](C3=C(C)NN(c4ccccc4)[C@@H]3Cl)[C@H]12 CCC[*:1] CC1NN(c2ccccc2)[C@H](Cl)C=1[C@@H]1C(C#N)=C(N)OC2=NN=C([C@H]21)[*:1]
C[C@H]1CC(C(=O)Nc2scnc2-c2ccccc2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1scnc1[*:1]
CN(CCc1ccccc1)c1nc([C@@H]2CC(=O)N(Cc3ccccn3)C2)cc(=O)[nH]1 c1ccc(C[*:1])nc1 CN(CCc1ccccc1)c1nc(cc(=O)[nH]1)[C@@H]1CC(=O)N(C1)[*:1]
CN(CCc1ccccc1)c1nc([C@@H]2CC(=O)N(Cc3ccccn3)C2)cc(=O)[nH]1 CN(CCc1ccccc1)[*:1] O=C1C[C@H](CN1Cc1ccccn1)c1cc(=O)[nH]c(n1)[*:1]
CN(CCc1ccccc1)c1nc([C@@H]2CC(=O)N(Cc3ccccn3)C2)cc(=O)[nH]1 c1ccc(cc1)C[*:1] CN(C[*:1])c1nc(cc(=O)[nH]1)[C@@H]1CC(=O)N(Cc2ccccn2)C1
CN(CCc1ccccc1)c1nc([C@@H]2CC(=O)N(Cc3ccccn3)C2)cc(=O)[nH]1 c1ccc(cc1)CC[*:1] CN(c1nc(cc(=O)[nH]1)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[*:1]
CN(CCc1ccccc1)c1nc([C@@H]2CC(=O)N(Cc3ccccn3)C2)cc(=O)[nH]1 c1ccc(cc1)[*:1] CN(CC[*:1])c1nc(cc(=O)[nH]1)[C@@H]1CC(=O)N(Cc2ccccn2)C1
CN(CCc1ccccc1)c1nc([C@@H]2CC(=O)N(Cc3ccccn3)C2)cc(=O)[nH]1 c1ccc(nc1)[*:1] CN(CCc1ccccc1)c1nc(cc(=O)[nH]1)[C@@H]1CC(=O)N(C1)C[*:1]
CC[C@H](C)[C@H](C[NH3+])Cc1ccccc1F CC[C@H](C)[*:1] [NH3+]C[C@H](Cc1ccccc1F)[*:1]
COc1cc(CNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc(OC)c1 Cc1nn(c(C)c1Cl)[*:1] COc1cc(cc(c1)OC)CNC(=O)c1ccc(C[*:1])o1
COc1cc(CNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc(OC)c1 Cc1nn(C[*:1])c(C)c1Cl COc1cc(cc(c1)OC)CNC(=O)c1ccc(o1)[*:1]
O=C(CSc1nnnn1C1CCCC1)N(CC1CC1)c1ccccc1 C1CCC(C1)[*:1] O=C(CSc1nnnn1[*:1])N(CC1CC1)c1ccccc1
O=C(CSc1nnnn1C1CCCC1)N(CC1CC1)c1ccccc1 C1CC1[*:1] O=C(CSc1nnnn1C1CCCC1)N(C[*:1])c1ccccc1
O=C(CSc1nnnn1C1CCCC1)N(CC1CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnnn1C1CCCC1)N(CC1CC1)[*:1]
O=C(CSc1nnnn1C1CCCC1)N(CC1CC1)c1ccccc1 C1CC1C[*:1] O=C(CSc1nnnn1C1CCCC1)N(c1ccccc1)[*:1]
O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(-c2cnco2)c1 c1ncc(o1)[*:1] O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(c1)[*:1]
CCC1(CC)CCN(c2nnc(C)c(C)c2C(N)=[NH2+])C1 NC(=[NH2+])[*:1] CCC1(CC)CCN(C1)c1nnc(C)c(C)c1[*:1]
C[C@@H](C1CC1)N(C)C(=O)C[C@H]1C[NH2+]CCO1 C1CC1[*:1] C[C@@H](N(C)C(=O)C[C@H]1C[NH2+]CCO1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)C[C@H]1C[NH2+]CCO1 C[C@@H](C1CC1)[*:1] CN(C(=O)C[C@H]1C[NH2+]CCO1)[*:1]
CCC[NH2+]Cc1sc([C@@H]2CN(CC)CCO2)nc1C CCC[*:1] CCN1CCO[C@@H](C1)c1nc(C)c(C[NH2+][*:1])s1
O=C(CN1CCN(c2ccccc2)C1=O)Nc1cccc2cccnc12 c1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])Nc1cccc2cccnc12
CCC[NH2+]Cc1cncc(O[C@@H]2CCC[C@@H](C)C2)n1 CCC[*:1] C[C@@H]1CCC[C@H](C1)Oc1cncc(C[NH2+][*:1])n1
O=C([O-])c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O O=[N+]([O-])[*:1] O=C([O-])c1cccn(Cc2cccc(c2)[*:1])c1=O
O=C([O-])c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O O=C([O-])[*:1] O=c1c(cccn1Cc1cccc(c1)[N+](=O)[O-])[*:1]
Nc1cccc(Oc2ncc(-c3ccc(F)cc3)cn2)c1 Nc1cccc(c1)[*:1] Fc1ccc(cc1)-c1cnc(nc1)O[*:1]
Nc1cccc(Oc2ncc(-c3ccc(F)cc3)cn2)c1 Fc1ccc(cc1)[*:1] Nc1cccc(c1)Oc1ncc(cn1)[*:1]
CC[NH+]1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 O=C(N1CCCC1)[*:1] CC[NH+]1CCN(CC1)CC(=O)N1CCC(CC1)[*:1]
CN(C)C(=O)CN(C)c1nc2cc(N)ccc2o1 CN(C)C(=O)C[*:1] CN(c1nc2cc(N)ccc2o1)[*:1]
CN(C)C(=O)CN(C)c1nc2cc(N)ccc2o1 CN(C)C(=O)[*:1] CN(C[*:1])c1nc2cc(N)ccc2o1
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@@H]1C=CCC1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)C[C@@H]1C=CCC1)[*:1]
CCOc1ccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C)cc1 C1CCN(C1)[*:1] CCOc1ccc(cc1)NC(=O)CSc1nc2nc(sc2c(=O)n1C)[*:1]
CCOc1ccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C)cc1 CCO[*:1] Cn1c(nc2nc(sc2c1=O)N1CCCC1)SCC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)CSc2nc3nc(N4CCCC4)sc3c(=O)n2C)cc1 CCOc1ccc(cc1)[*:1] Cn1c(nc2nc(sc2c1=O)N1CCCC1)SCC(=O)N[*:1]
CCCOC(=O)c1cccc(CC(=O)OC)c1N COC(=O)C[*:1] CCCOC(=O)c1cccc(c1N)[*:1]
CCCOC(=O)c1cccc(CC(=O)OC)c1N CCC[*:1] COC(=O)Cc1cccc(C(=O)O[*:1])c1N
CCCOC(=O)c1cccc(CC(=O)OC)c1N COC(=O)[*:1] CCCOC(=O)c1cccc(C[*:1])c1N
CCCOC(=O)c1cccc(CC(=O)OC)c1N CCCOC(=O)[*:1] COC(=O)Cc1cccc(c1N)[*:1]
N#CCCn1cc(CN2CCO[C@@H](c3cccc(O)c3)C2)c(-c2ccccc2)n1 N#CC[*:1] Oc1cccc(c1)[C@H]1CN(CCO1)Cc1cn(C[*:1])nc1-c1ccccc1
N#CCCn1cc(CN2CCO[C@@H](c3cccc(O)c3)C2)c(-c2ccccc2)n1 Oc1cccc(c1)[*:1] N#CCCn1cc(CN2CCO[C@@H](C2)[*:1])c(n1)-c1ccccc1
N#CCCn1cc(CN2CCO[C@@H](c3cccc(O)c3)C2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] N#CCCn1cc(CN2CCO[C@H](C2)c2cccc(O)c2)c(n1)[*:1]
N#CCCn1cc(CN2CCO[C@@H](c3cccc(O)c3)C2)c(-c2ccccc2)n1 N#CCC[*:1] Oc1cccc(c1)[C@H]1CN(CCO1)Cc1cn(nc1-c1ccccc1)[*:1]
O=C(CCn1nnc(-c2ccc(Br)cc2)n1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCn1nnc(n1)-c1ccc(Br)cc1)N[*:1]
O=C(CCn1nnc(-c2ccc(Br)cc2)n1)Nc1ccc(F)cc1 Brc1ccc(cc1)[*:1] O=C(CCn1nnc(n1)[*:1])Nc1ccc(F)cc1
C=C(C)C[NH+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] C=C(C)[*:1] CC[NH+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[*:1]
C=C(C)C[NH+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C=C(C)C[NH+](CC)CC(=O)Nc1ccccc1[*:1]
CC(C)c1cc(NC(=O)CN2CCOCC2)on1 C1CN(CCO1)[*:1] CC(C)c1cc(NC(=O)C[*:1])on1
CC(C)c1cc(NC(=O)CN2CCOCC2)on1 CC(C)[*:1] O=C(CN1CCOCC1)Nc1cc(no1)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)N2CCN(CC2)c2ncnc3c2cnn3C)c(C)c1[*:1]
COc1cccc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)c1 COc1cccc(c1)[*:1] O=C(c1ccc2OCOc2c1)N1CCC[C@@H]1[*:1]
Cc1nnc(SCC[C@H]2CCC[C@]2([NH3+])C(=O)[O-])o1 Cc1nnc(o1)[*:1] [NH3+][C@@]1(CCC[C@@H]1CCS[*:1])C(=O)[O-]
Cc1nnc(SCC[C@H]2CCC[C@]2([NH3+])C(=O)[O-])o1 O=C([O-])[*:1] Cc1nnc(o1)SCC[C@H]1CCC[C@@]1([NH3+])[*:1]
COc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1I C1CO[C@H](C1)CO[*:1] COc1ccc(cc1I)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)NC(=O)N[*:1]
O=C1C[C@@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)CN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCN(CC1)C(=O)C1CCCCC1
O=C1C[C@@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)CN1Cc1ccccc1 C1CCC(CC1)[*:1] O=C1C[C@H](CN1Cc1ccccc1)C(=O)N1CCN(CC1)C(=O)[*:1]
O=C1C[C@@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)CN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccncc3F)[nH]c2c1 Fc1cnccc1[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)[*:1]
COc1ccc(NC(=O)COc2coc(C[NH+]3CCCCCC3)cc2=O)cc1 COc1ccc(cc1)[*:1] O=C(COc1coc(cc1=O)C[NH+]1CCCCCC1)N[*:1]
COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1Cl Clc1ccccc1[*:1] COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)[*:1]
COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1Cl COc1ccccc1[*:1] O=C(c1ccccc1Cl)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1[*:1]
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)N1CCc2ccccc2C1 O=S(=O)(N1CCCCC1)[*:1] O=C(CSc1nnc(o1)-c1cccc(c1)[*:1])N1CCc2ccccc2C1
C[C@@H](C#N)C(=O)NC[C@]1(C)CCCO1 C[C@@H](C#N)[*:1] C[C@]1(CCCO1)CNC(=O)[*:1]
CCOc1ccc(NC(=O)NCC[C@H](O)C(C)(C)C)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)NC(=O)NCC[C@H](O)[*:1]
CCOc1ccc(NC(=O)NCC[C@H](O)C(C)(C)C)cc1 CCO[*:1] CC(C)(C)[C@@H](O)CCNC(=O)Nc1ccc(cc1)[*:1]
CCN(Cc1noc(C2CC2)n1)C(=O)c1cc(C)ccc1F C1CC1[*:1] CCN(Cc1noc(n1)[*:1])C(=O)c1cc(C)ccc1F
CC(C)[C@@H]1C[C@H](CO)OC1=O CC(C)[*:1] O=C1O[C@@H](CO)C[C@H]1[*:1]
C[n+]1noc([O-])c1[C@@H]1NC[C@@H](C(=O)[O-])S1 O=C([O-])[*:1] C[n+]1noc([O-])c1[C@@H]1NC[C@@H](S1)[*:1]
N#Cc1cc(Cl)nc(NNC(=O)c2cccc(-n3nc([O-])ccc3=O)c2)c1 O=c1ccc([O-])nn1[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1cccc(c1)[*:1]
N#Cc1cc(Cl)nc(NNC(=O)c2cccc(-n3nc([O-])ccc3=O)c2)c1 N#Cc1cc(Cl)nc(c1)[*:1] O=C(NN[*:1])c1cccc(c1)-n1nc([O-])ccc1=O
CSC1=NC(=O)[C@H]2C(=N1)N=C1CCCC([O-])=C1[C@H]2c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CSC1=NC(=O)[C@H]2C(N=C3CCCC([O-])=C3[C@@H]2[*:1])=N1
C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1Br NS(=O)(=O)[*:1] C[C@@H](c1cccc(c1)[*:1])N(C)Cc1ccccc1Br
C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1Br Brc1ccccc1[*:1] C[C@@H](c1cccc(c1)S(N)(=O)=O)N(C)C[*:1]
COCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 COCCO[*:1] C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(cc2)[*:1])[C@@H]1C
COCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 COC[*:1] C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(cc2)OC[*:1])[C@@H]1C
COCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 COCC[*:1] C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(cc2)O[*:1])[C@@H]1C
CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)[C@H](C#N)c1nc(cs1)C(C)C)[*:1]
CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccc(C)cc1 CC(C)c1csc(n1)[*:1] CC(=O)N[C@H](CC(=O)[C@H](C#N)[*:1])c1ccc(C)cc1
CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccc(C)cc1 CC(C)[*:1] CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(cs1)[*:1])c1ccc(C)cc1
CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(C(C)C)cs1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)[C@H](C#N)c1nc(cs1)C(C)C)[*:1]
C#CC[C@@H](C)OC(=O)c1ccc(-n2cccc2)nc1 C#CC[*:1] C[C@@H](OC(=O)c1ccc(nc1)-n1cccc1)[*:1]
C#CC[C@@H](C)OC(=O)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] C#CC[C@@H](C)OC(=O)c1ccc(nc1)[*:1]
CNC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCCC2 Ic1ccccc1[*:1] CNC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
CNC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCCC2 CNC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])c1ccccc1I
O=C(CNc1ccccc1)Nc1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(CNc1ccccc1)Nc1cccc(c1)O[*:1]
O=C(CNc1ccccc1)Nc1cccc(OCc2ccccc2)c1 c1ccc(cc1)NC[*:1] O=C(Nc1cccc(c1)OCc1ccccc1)[*:1]
O=C(CNc1ccccc1)Nc1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(CN[*:1])Nc1cccc(c1)OCc1ccccc1
O=C(CNc1ccccc1)Nc1cccc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] O=C(CNc1ccccc1)Nc1cccc(c1)[*:1]
O=C(CNc1ccccc1)Nc1cccc(OCc2ccccc2)c1 c1ccc(cc1)N[*:1] O=C(C[*:1])Nc1cccc(c1)OCc1ccccc1
O=C(CNc1ccccc1)Nc1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(CNc1ccccc1)Nc1cccc(c1)OC[*:1]
C=CC[C@]1(CO)CCCN(C(=O)CCC(F)(F)F)C1 FC(F)(F)C[*:1] C=CC[C@]1(CO)CCCN(C1)C(=O)C[*:1]
C=CC[C@]1(CO)CCCN(C(=O)CCC(F)(F)F)C1 FC(F)(F)[*:1] C=CC[C@]1(CO)CCCN(C1)C(=O)CC[*:1]
C=CC[C@]1(CO)CCCN(C(=O)CCC(F)(F)F)C1 C=CC[*:1] O=C(CCC(F)(F)F)N1CCC[C@@](CO)(C1)[*:1]
C=CC[C@]1(CO)CCCN(C(=O)CCC(F)(F)F)C1 FC(F)(F)CC[*:1] C=CC[C@]1(CO)CCCN(C1)C(=O)[*:1]
COc1cc(C[NH2+][C@@H](C)Cn2cnc(C)c2C)ccc1O Cc1ncn(c1C)[*:1] COc1cc(ccc1O)C[NH2+][C@@H](C)C[*:1]
Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@H]4CC(=O)NCc2ccc(F)cc2)c1 Cc1cccc(c1)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21)NCc1ccc(F)cc1
Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@H]4CC(=O)NCc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@H]3CC(=O)NC[*:1]
Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@H]4CC(=O)NCc2ccc(F)cc2)c1 Fc1ccc(cc1)C[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@H]3CC(=O)N[*:1]
Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCC#N)C(F)(F)F N#CCN[*:1] Cc1nn(-c2ccccc2)c(C)c1[C@@H](C(F)(F)F)[*:1]
Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCC#N)C(F)(F)F c1ccc(cc1)[*:1] Cc1nn(c(C)c1[C@@H](NCC#N)C(F)(F)F)[*:1]
Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCC#N)C(F)(F)F N#CC[*:1] Cc1nn(-c2ccccc2)c(C)c1[C@@H](N[*:1])C(F)(F)F
Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCC#N)C(F)(F)F FC(F)(F)[*:1] Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCC#N)[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)[C@H]2CCO[C@@H]2C)o1 CCc1ccc(o1)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCOC[C@H]1[*:1]
CC(C)c1nnc2n1N=C(c1cc3ccccc3o1)CS2 CC(C)[*:1] c1ccc2oc(cc2c1)C1CSc2nnc(n2N=1)[*:1]
O=C(Nc1cccc2ncccc12)c1sccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc2ncccc12)c1sccc1[*:1]
O[C@@H](CNCc1cccnc1)c1ccco1 c1coc(c1)[*:1] O[C@@H](CNCc1cccnc1)[*:1]
COCC[C@H](NC(=O)N1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] COCC[*:1] O=C([O-])[C@@H](NC(=O)N1CCN2C(=O)NC[C@H]2C1)[*:1]
COCC[C@H](NC(=O)N1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] O=C([O-])[*:1] COCC[C@H](NC(=O)N1CCN2C(=O)NC[C@H]2C1)[*:1]
COCC[C@H](NC(=O)N1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] COC[*:1] O=C([O-])[C@H](C[*:1])NC(=O)N1CCN2C(=O)NC[C@H]2C1
COc1cc(/C=C2\SC(=O)NC2=O)ccc1OC(=O)C[C@@H]1SC(=O)NC1=O O=C1NC(=O)C(=C[*:1])S1 COc1cc(ccc1OC(=O)C[C@@H]1SC(=O)NC1=O)[*:1]
CC[C@H]1CC[C@](C[NH3+])([C@]2(O)CCO[C@H](C(C)C)C2)C1 CC(C)[*:1] CC[C@H]1CC[C@@](C[NH3+])(C1)[C@]1(O)CCO[C@H](C1)[*:1]
C[C@H]1Cc2ccccc2N1CC(=O)N(C)CC(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H]1Cc2ccccc2N1CC(=O)N(C)CC(=O)N[*:1]
C[C@H]1Cc2ccccc2N1CC(=O)N(C)CC(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H]1Cc2ccccc2N1CC(=O)N(C)CC(=O)NC[*:1]
CCOC(=O)CSc1nc(C2CC2)ns1 C1CC1[*:1] CCOC(=O)CSc1nc(ns1)[*:1]
CCOC(=O)CSc1nc(C2CC2)ns1 CCOC(=O)[*:1] C1CC1c1nsc(n1)SC[*:1]
C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1nncs1 c1nnc(s1)[*:1] C[C@H]1C[C@@H]1C(=O)NCCC(=O)N[*:1]
C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1nncs1 C[C@H]1C[C@H]1[*:1] O=C(CCNC(=O)[*:1])Nc1nncs1
CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](CO)C(C)C CC(C)[*:1] CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](CO)[*:1]
COC(=O)CNC(=O)CCc1c[nH]c2ccc(C)cc12 COC(=O)[*:1] Cc1ccc2[nH]cc(CCC(=O)NC[*:1])c2c1
COC(=O)CNC(=O)CCc1c[nH]c2ccc(C)cc12 COC(=O)C[*:1] Cc1ccc2[nH]cc(CCC(=O)N[*:1])c2c1
CN(c1ccsc1C(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 Clc1ccc(cc1)CC[*:1] CN(c1ccsc1C(=O)N[*:1])S(=O)(=O)c1ccccc1
CN(c1ccsc1C(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 Clc1ccc(cc1)C[*:1] CN(c1ccsc1C(=O)NC[*:1])S(=O)(=O)c1ccccc1
CN(c1ccsc1C(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(c1ccsc1C(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)[*:1]
CN(c1ccsc1C(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 Clc1ccc(cc1)[*:1] CN(c1ccsc1C(=O)NCC[*:1])S(=O)(=O)c1ccccc1
Cc1cc(-c2nnc(C[NH2+][C@@H]3CCCC[C@H]3C(C)(C)C)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(o1)[*:1]
Cc1cc(-c2nnc(C[NH2+][C@@H]3CCCC[C@H]3C(C)(C)C)o2)c(C)o1 CC(C)(C)[*:1] Cc1cc(-c2nnc(C[NH2+][C@@H]3CCCC[C@@H]3[*:1])o2)c(C)o1
CC[C@]1(C(=O)[O-])CCN(C(=O)N(C)CCc2cccs2)C1 c1csc(c1)CC[*:1] CC[C@@]1(CCN(C1)C(=O)N(C)[*:1])C(=O)[O-]
CC[C@]1(C(=O)[O-])CCN(C(=O)N(C)CCc2cccs2)C1 O=C([O-])[*:1] CC[C@@]1(CCN(C1)C(=O)N(C)CCc1cccs1)[*:1]
CC[C@]1(C(=O)[O-])CCN(C(=O)N(C)CCc2cccs2)C1 c1csc(c1)C[*:1] CC[C@@]1(CCN(C1)C(=O)N(C)C[*:1])C(=O)[O-]
CC[C@]1(C(=O)[O-])CCN(C(=O)N(C)CCc2cccs2)C1 c1csc(c1)[*:1] CC[C@@]1(CCN(C1)C(=O)N(C)CC[*:1])C(=O)[O-]
C[C@H](CCNC(=O)NC[C@@H]1CCC[C@H](O)C1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](CCNC(=O)NC[C@@H]1CCC[C@H](O)C1)c1cccc(c1)[*:1]
CCOC(=O)CC[C@H](C)NC(=O)Nc1cccc(Cl)c1 CCOC(=O)C[*:1] C[C@@H](C[*:1])NC(=O)Nc1cccc(Cl)c1
CCOC(=O)CC[C@H](C)NC(=O)Nc1cccc(Cl)c1 CCOC(=O)[*:1] C[C@@H](CC[*:1])NC(=O)Nc1cccc(Cl)c1
O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1cc(Cl)c2c(c1)OCO2 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC[*:1])c1cc(Cl)c2OCOc2c1
O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1cc(Cl)c2c(c1)OCO2 FC(F)(F)C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1cc(Cl)c2OCOc2c1
O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1cc(Cl)c2c(c1)OCO2 O=S(=O)(NCC(F)(F)F)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(Cl)c2OCOc2c1
C=CC[C@]1(O)CCO[C@](C)(CC)C1 C=CC[*:1] CC[C@]1(C)C[C@](O)(CCO1)[*:1]
Cc1ccc(NC(=O)c2ccc(N(C)C)nc2)c(Cl)c1 CN(C)[*:1] Cc1ccc(NC(=O)c2ccc(nc2)[*:1])c(Cl)c1
COc1ccc(C[S@](=O)CCC(=O)Nc2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] COc1ccc(C[S@](=O)CCC(=O)N[*:1])c(Cl)c1
O=S(=O)(NCC#CCOc1cccc(Br)c1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=S(=O)(NCC#CCOc1cccc(Br)c1)[*:1]
O=S(=O)(NCC#CCOc1cccc(Br)c1)c1cc(F)ccc1F Brc1cccc(c1)O[*:1] O=S(=O)(NCC#CC[*:1])c1cc(F)ccc1F
O=S(=O)(NCC#CCOc1cccc(Br)c1)c1cc(F)ccc1F Brc1cccc(c1)[*:1] O=S(=O)(NCC#CCO[*:1])c1cc(F)ccc1F
C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)[*:1]
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNS(=O)(=O)c1ccc(s1)[N+](=O)[O-])[*:1]
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNS(=O)(=O)c1ccc(s1)[N+](=O)[O-])O[*:1]
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1 O=[N+]([O-])[*:1] C[C@@H](CNS(=O)(=O)c1ccc(s1)[*:1])Oc1ccccc1
Cc1c(C(=O)NCCc2ccc[nH]2)cnn1C1CCCC1 c1c[nH]c(c1)C[*:1] Cc1c(cnn1C1CCCC1)C(=O)NC[*:1]
Cc1c(C(=O)NCCc2ccc[nH]2)cnn1C1CCCC1 C1CCC(C1)[*:1] Cc1c(cnn1[*:1])C(=O)NCCc1ccc[nH]1
Cc1c(C(=O)NCCc2ccc[nH]2)cnn1C1CCCC1 c1c[nH]c(c1)CC[*:1] Cc1c(cnn1C1CCCC1)C(=O)N[*:1]
Cc1c(C(=O)NCCc2ccc[nH]2)cnn1C1CCCC1 c1c[nH]c(c1)[*:1] Cc1c(cnn1C1CCCC1)C(=O)NCC[*:1]
CC(C)n1cnnc1[C@H]1CCCN(Cc2noc(C3CCCCC3)n2)C1 CC(C)n1cnnc1[*:1] C1CCC(CC1)c1nc(CN2CCC[C@@H](C2)[*:1])no1
CC(C)n1cnnc1[C@H]1CCCN(Cc2noc(C3CCCCC3)n2)C1 CC(C)[*:1] c1nnc([C@H]2CCCN(Cc3noc(n3)C3CCCCC3)C2)n1[*:1]
CC(C)n1cnnc1[C@H]1CCCN(Cc2noc(C3CCCCC3)n2)C1 C1CCC(CC1)[*:1] CC(C)n1cnnc1[C@H]1CCCN(Cc2noc(n2)[*:1])C1
COCCOC(=O)c1c(C)nc2ccccc2c1C COC[*:1] Cc1nc2ccccc2c(C)c1C(=O)OC[*:1]
COCCOC(=O)c1c(C)nc2ccccc2c1C COCC[*:1] Cc1nc2ccccc2c(C)c1C(=O)O[*:1]
CCc1nc(CNc2ccc(C(=O)N3CCCC3)cc2)no1 CCc1nc(no1)[*:1] O=C(c1ccc(cc1)NC[*:1])N1CCCC1
CCc1nc(CNc2ccc(C(=O)N3CCCC3)cc2)no1 O=C(N1CCCC1)[*:1] CCc1nc(CNc2ccc(cc2)[*:1])no1
O=C(Cn1nnnc1C[NH+]1CCCC1)N1CCN(C2CCCC2)C(=O)C1 C1CCC(C1)[*:1] O=C(Cn1nnnc1C[NH+]1CCCC1)N1CCN(C(=O)C1)[*:1]
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 Cc1ccccc1[*:1] CC[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@H](CNC(=O)NCCc1cc(F)ccc1F)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)NCCc1cc(F)ccc1F)[*:1]
O=C1CCc2cc(OC(=O)CCCc3cccs3)ccc2N1 c1csc(c1)[*:1] O=C1CCc2cc(ccc2N1)OC(=O)CCC[*:1]
O=C1CCc2cc(OC(=O)CCCc3cccs3)ccc2N1 c1csc(c1)CC[*:1] O=C1CCc2cc(ccc2N1)OC(=O)C[*:1]
O=C1CCc2cc(OC(=O)CCCc3cccs3)ccc2N1 c1csc(c1)C[*:1] O=C1CCc2cc(ccc2N1)OC(=O)CC[*:1]
O=C(Cc1cc2ccccc2[nH]c1=O)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cc2ccccc2[nH]c1=O)N1CCC[C@H]1CC[*:1]
O=C(Cc1cc2ccccc2[nH]c1=O)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(Cc1cc2ccccc2[nH]c1=O)N1CCC[C@@H]1[*:1]
O=C(Cc1cc2ccccc2[nH]c1=O)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1cc2ccccc2[nH]c1=O)N1CCC[C@H]1C[*:1]
O=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1ccccc1O Oc1ccccc1[*:1] O=C1c2cccc3c(ccc(C(=O)N1[*:1])c23)NCCO
O=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1ccccc1O OCCN[*:1] O=C1c2cccc3c(ccc(C(=O)N1c1ccccc1O)c23)[*:1]
O=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1c1ccccc1O OCC[*:1] O=C1c2cccc3c(ccc(C(=O)N1c1ccccc1O)c23)N[*:1]
C[C@H](C(=O)NCc1cccc(COC2CCOCC2)c1)[NH+]1CCCCCC1 C1CC(CCO1)[*:1] C[C@H](C(=O)NCc1cccc(c1)CO[*:1])[NH+]1CCCCCC1
C[C@H](C(=O)NCc1cccc(COC2CCOCC2)c1)[NH+]1CCCCCC1 C1CC(CCO1)O[*:1] C[C@H](C(=O)NCc1cccc(c1)C[*:1])[NH+]1CCCCCC1
C[C@H](C(=O)NCc1cccc(COC2CCOCC2)c1)[NH+]1CCCCCC1 C1CC(CCO1)OC[*:1] C[C@H](C(=O)NCc1cccc(c1)[*:1])[NH+]1CCCCCC1
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1c[nH]c2ccccc12 O=S(=O)(N1CCCCC1)[*:1] CN(C)c1ccc(cc1NC(=O)CCc1c[nH]c2ccccc12)[*:1]
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1c[nH]c2ccccc12 CN(C)[*:1] O=C(CCc1c[nH]c2ccccc12)Nc1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)C[*:1] CN(C)c1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N1CCCCC1
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] CN(C)c1ccc(cc1NC(=O)CC[*:1])S(=O)(=O)N1CCCCC1
CCc1cc(C#N)c(NC(=O)C2CCN(C(=O)C(C)C)CC2)s1 CC(C)[*:1] CCc1cc(C#N)c(NC(=O)C2CCN(CC2)C(=O)[*:1])s1
Cc1cc(C(=O)NCc2nnc3n2CC[NH+](Cc2c(F)ccc(F)c2F)CC3)c(C)o1 Fc1ccc(F)c(c1F)[*:1] Cc1cc(C(=O)NCc2nnc3CC[NH+](CCn32)C[*:1])c(C)o1
Cc1cc(C(=O)NCc2nnc3n2CC[NH+](Cc2c(F)ccc(F)c2F)CC3)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NCc1nnc2CC[NH+](CCn21)Cc1c(F)ccc(F)c1F)[*:1]
Cc1cc(C(=O)NCc2nnc3n2CC[NH+](Cc2c(F)ccc(F)c2F)CC3)c(C)o1 Cc1cc(C(=O)N[*:1])c(C)o1 Fc1ccc(F)c(C[NH+]2CCc3nnc(C[*:1])n3CC2)c1F
Cc1cc(C(=O)NCc2nnc3n2CC[NH+](Cc2c(F)ccc(F)c2F)CC3)c(C)o1 Fc1ccc(F)c(C[*:1])c1F Cc1cc(C(=O)NCc2nnc3CC[NH+](CCn32)[*:1])c(C)o1
CC1=C(C(=O)N(C)C)[C@H](c2ccc(OC(F)(F)F)cc2)NC(=S)N1C FC(F)(F)[*:1] CC1=C(C(=O)N(C)C)[C@@H](NC(=S)N1C)c1ccc(cc1)O[*:1]
CC1=C(C(=O)N(C)C)[C@H](c2ccc(OC(F)(F)F)cc2)NC(=S)N1C CN(C)C(=O)[*:1] CC1=C([C@@H](NC(=S)N1C)c1ccc(cc1)OC(F)(F)F)[*:1]
CC1=C(C(=O)N(C)C)[C@H](c2ccc(OC(F)(F)F)cc2)NC(=S)N1C FC(F)(F)O[*:1] CC1=C(C(=O)N(C)C)[C@@H](NC(=S)N1C)c1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 CN(C)S(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H]1c1nc2ccccc2s1
O=[N+]([O-])C1(Cc2ccccc2)CCCCC1 O=[N+]([O-])[*:1] c1ccc(cc1)CC1(CCCCC1)[*:1]
Cc1cc(C(=O)COC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)c(C)s1 FC(F)(F)[*:1] Cc1cc(C(=O)COC(=O)[C@@H]2CCCN(C2)c2ncccc2[*:1])c(C)s1
Cc1cc(C(=O)COC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(OCC(=O)[*:1])[C@@H]1CCCN(C1)c1ncccc1C(F)(F)F
Cc1cc(C(=O)COC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)c(C)s1 Cc1cc(C(=O)[*:1])c(C)s1 O=C(OC[*:1])[C@@H]1CCCN(C1)c1ncccc1C(F)(F)F
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4Cl)CC3)cc2)c1C Clc1ccccc1[*:1] Cc1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N2CCN(CC2)[*:1])c1C
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4Cl)CC3)cc2)c1C Cc1cccc(c1C)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCN(CC1)c1ccccc1Cl
COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cnccc1Cl COC(=O)[*:1] CC(C)(C)OC(=O)N1C[C@H](c2cnccc2Cl)[C@H](C1)[*:1]
COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cnccc1Cl CC(C)(C)[*:1] COC(=O)[C@H]1CN(C[C@@H]1c1cnccc1Cl)C(=O)O[*:1]
COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cnccc1Cl Clc1ccncc1[*:1] COC(=O)[C@H]1CN(C[C@H]1[*:1])C(=O)OC(C)(C)C
Cc1cc(=O)[nH]c(-c2ccccc2CN2CCC[NH+](C3CCCC3)CC2)n1 C1CCC(C1)[*:1] Cc1cc(=O)[nH]c(n1)-c1ccccc1CN1CCC[NH+](CC1)[*:1]
Cc1cc(=O)[nH]c(-c2ccccc2CN2CCC[NH+](C3CCCC3)CC2)n1 Cc1cc(=O)[nH]c(n1)[*:1] c1ccc(c(c1)CN1CCC[NH+](CC1)C1CCCC1)[*:1]
CCOc1cc(CN2CCC[C@H](c3nc(CC)cc(=O)[nH]3)C2)ccc1OC CCc1cc(=O)[nH]c(n1)[*:1] CCOc1cc(ccc1OC)CN1CCC[C@H](C1)[*:1]
CCOc1cc(CN2CCC[C@H](c3nc(CC)cc(=O)[nH]3)C2)ccc1OC CCO[*:1] CCc1cc(=O)[nH]c(n1)[C@H]1CCCN(Cc2ccc(OC)c(c2)[*:1])C1
Cc1ccc(NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NCCCc2n[nH]c(=O)[nH]2)c(c1)[*:1]
Cc1ccc(NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 O=c1[nH]nc([nH]1)[*:1] Cc1ccc(NCCC[*:1])c(c1)[N+](=O)[O-]
CC(C)[NH2+][C@H](C)[C@@H](C)Cc1ncnn1C(C)C CC(C)[*:1] CC(C)n1ncnc1C[C@H](C)[C@@H](C)[NH2+][*:1]
CC(C)[NH2+][C@H](C)[C@@H](C)Cc1ncnn1C(C)C CC(C)[*:1] CC(C)[NH2+][C@H](C)[C@@H](C)Cc1ncnn1[*:1]
O[C@@H](c1ccc(F)cc1)C(F)(F)C(F)F FC(F)[*:1] O[C@@H](c1ccc(F)cc1)C(F)(F)[*:1]
O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N1CCN(CC1)[*:1]
O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N1CCN(c2ccccc2F)CC1 c1cc(co1)[*:1] O=C1NCCN(C[*:1])[C@H]1CC(=O)N1CCN(CC1)c1ccccc1F
O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N1CCN(c2ccccc2F)CC1 c1cc(co1)C[*:1] O=C1NCCN([C@H]1CC(=O)N1CCN(CC1)c1ccccc1F)[*:1]
COC(=O)[C@@H](C)NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1 COC(=O)[*:1] C[C@@H](NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1)[*:1]
COC(=O)[C@@H](C)NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1 c1ccc(cc1)CC[*:1] COC(=O)[C@@H](C)NC(=O)c1ccc2oc(nc2c1)[*:1]
COC(=O)[C@@H](C)NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1 c1ccc(cc1)C[*:1] COC(=O)[C@@H](C)NC(=O)c1ccc2oc(C[*:1])nc2c1
COC(=O)[C@@H](C)NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)NC(=O)c1ccc2oc(CC[*:1])nc2c1
CCCCCC[C@@H]1C(=N)NC(=O)N1CC CCC[*:1] CCN1C(=O)NC(=N)[C@H]1CCC[*:1]
CCCCCC[C@@H]1C(=N)NC(=O)N1CC CCCCC[*:1] CCN1C(=O)NC(=N)[C@H]1C[*:1]
CCCCCC[C@@H]1C(=N)NC(=O)N1CC CCCC[*:1] CCN1C(=O)NC(=N)[C@H]1CC[*:1]
COC(=O)c1cc(CNC(=O)C2C(C)(C)C2(C)C)oc1C CC1(C)C(C1(C)C)[*:1] COC(=O)c1cc(CNC(=O)[*:1])oc1C
COC(=O)c1cc(CNC(=O)C2C(C)(C)C2(C)C)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)C1C(C)(C)C1(C)C
Oc1cccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 Oc1cccc(c1)[*:1] c1ccc(nc1)-c1noc(n1)C1CC[NH+](CC1)C[*:1]
Oc1cccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 c1ccc(nc1)[*:1] Oc1cccc(c1)C[NH+]1CCC(CC1)c1nc(no1)[*:1]
Oc1cccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 Oc1cccc(c1)C[*:1] c1ccc(nc1)-c1noc(n1)C1CC[NH+](CC1)[*:1]
O=C(OCCN1CCCC1=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 O=C1CCCN1[*:1] O=C(OCC[*:1])c1cnn(c1)-c1ccc(cc1)[N+](=O)[O-]
O=C(OCCN1CCCC1=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 O=C1CCCN1CC[*:1] O=C(O[*:1])c1cnn(c1)-c1ccc(cc1)[N+](=O)[O-]
O=C(OCCN1CCCC1=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 O=C1CCCN1C[*:1] O=C(OC[*:1])c1cnn(c1)-c1ccc(cc1)[N+](=O)[O-]
O=C(OCCN1CCCC1=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] O=C(OCCN1CCCC1=O)c1cnn(c1)-c1ccc(cc1)[*:1]
CCOC(=O)C(F)(F)[C@@]1(O)CS[C@H](C)C1 CCOC(=O)[*:1] C[C@@H]1C[C@](O)(CS1)C(F)(F)[*:1]
CCOC[C@@H](C)[NH2+]Cc1nncn1C1CC1 CCOC[*:1] C[C@@H]([NH2+]Cc1nncn1C1CC1)[*:1]
CCOC[C@@H](C)[NH2+]Cc1nncn1C1CC1 C1CC1[*:1] CCOC[C@@H](C)[NH2+]Cc1nncn1[*:1]
CCOC[C@@H](C)[NH2+]Cc1nncn1C1CC1 CCO[*:1] C[C@H](C[*:1])[NH2+]Cc1nncn1C1CC1
C[NH+]1CCN(Cc2ccc(CNC(=O)c3cn4cccnc4n3)cc2)CC1 c1cnc2nc(cn2c1)[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)CNC(=O)[*:1]
COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C([C@@H]1CC=CCC1)N1CCN(CC1)C(=O)[*:1]
Nc1cc(Br)ccc1NC(=O)CCC1CCCC1 C1CCC(C1)[*:1] Nc1cc(Br)ccc1NC(=O)CC[*:1]
Nc1cc(Br)ccc1NC(=O)CCC1CCCC1 C1CCC(C1)C[*:1] Nc1cc(Br)ccc1NC(=O)C[*:1]
CN(CCN1CCOCC1)C(=O)Nc1cc(C#N)ccc1Cl C1CN(CCO1)[*:1] CN(CC[*:1])C(=O)Nc1cc(C#N)ccc1Cl
CN(CCN1CCOCC1)C(=O)Nc1cc(C#N)ccc1Cl C1CN(CCO1)C[*:1] CN(C[*:1])C(=O)Nc1cc(C#N)ccc1Cl
C[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O NC(=O)N[*:1] C[C@@H](Cc1c[nH]c2ccccc12)[*:1]
O=C(NCc1ncc(-c2ccccc2)o1)NNc1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(NCc1ncc(o1)-c1ccccc1)NN[*:1]
O=C(NCc1ncc(-c2ccccc2)o1)NNc1cccc(F)c1F c1ccc(cc1)[*:1] O=C(NCc1ncc(o1)[*:1])NNc1cccc(F)c1F
CN(C)C(=O)c1ccc(Cl)c(NCc2cccnc2Cl)c1 Clc1ncccc1[*:1] CN(C)C(=O)c1ccc(Cl)c(c1)NC[*:1]
CN(C)C(=O)c1ccc(Cl)c(NCc2cccnc2Cl)c1 CN(C)C(=O)[*:1] Clc1ccc(cc1NCc1cccnc1Cl)[*:1]
COc1ccc(CN(C)C(=O)Nc2cccc(F)c2C)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CN(C)C(=O)Nc1cccc(F)c1C
COc1ccc(CN(C)C(=O)Nc2cccc(F)c2C)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CN(C)C(=O)Nc1cccc(F)c1C
COc1ccc(CN(C)C(=O)Nc2cccc(F)c2C)cc1OC(F)F Cc1c(F)cccc1[*:1] COc1ccc(cc1OC(F)F)CN(C)C(=O)N[*:1]
COCCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 COC[*:1] O=C(NCc1ccc2OCOc2c1)c1cn(C[*:1])c2ccccc12
COCCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 COCC[*:1] O=C(NCc1ccc2OCOc2c1)c1cn(c2ccccc12)[*:1]
O=C1CCCC[C@@H]1[C@H](Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCC[C@@H]1[C@H](Nc1ccccc1)[*:1]
O=C1CCCC[C@@H]1[C@H](Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCC[C@@H]1[C@H](N[*:1])c1ccccc1
O=C1CCCC[C@@H]1[C@H](Nc1ccccc1)c1ccccc1 c1ccc(cc1)N[*:1] O=C1CCCC[C@@H]1[C@H](c1ccccc1)[*:1]
COc1ccc(O)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 Fc1cccc(c1)[*:1] COc1ccc(O)c(c1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)C(=O)Nc1ncccn1 c1cnc(nc1)[*:1] C[C@H](Sc1nc2sc3CCCCc3c2c(=O)n1-c1ccccc1)C(=O)N[*:1]
C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)C(=O)Nc1ncccn1 O=C(Nc1ncccn1)[*:1] C[C@H](Sc1nc2sc3CCCCc3c2c(=O)n1-c1ccccc1)[*:1]
C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)C(=O)Nc1ncccn1 c1ccc(cc1)[*:1] C[C@H](Sc1nc2sc3CCCCc3c2c(=O)n1[*:1])C(=O)Nc1ncccn1
Cc1c(/C=C(/C#N)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc(C#N)n1C c1csc(c1)[*:1] Cc1c(/C=C(/C#N)C(=O)NC[C@@H]([NH+](C)C)[*:1])cc(C#N)n1C
C[C@H](NCc1cc(C#N)ccc1F)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] C[C@H](NCc1cc(C#N)ccc1F)c1ccc(cc1)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)O[*:1]
CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2coc(C)n2)CC1 Cc1nc(co1)C[*:1] CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](CC1)[*:1]
CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2coc(C)n2)CC1 Cc1nc(co1)[*:1] CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](CC1)C[*:1]
C=CCn1c(SCc2noc(C3CC3)n2)nc2sc(C)c(C)c2c1=O C1CC1[*:1] C=CCn1c(nc2sc(C)c(C)c2c1=O)SCc1noc(n1)[*:1]
C=CCn1c(SCc2noc(C3CC3)n2)nc2sc(C)c(C)c2c1=O C1CC1c1nc(no1)[*:1] C=CCn1c(nc2sc(C)c(C)c2c1=O)SC[*:1]
C=CCn1c(SCc2noc(C3CC3)n2)nc2sc(C)c(C)c2c1=O C=CC[*:1] Cc1sc2nc(SCc3noc(n3)C3CC3)n(c(=O)c2c1C)[*:1]
C[C@@H]1CCN(S(=O)(=O)c2cnoc2)C[C@@H]1O c1nocc1[*:1] C[C@@H]1CCN(C[C@@H]1O)S(=O)(=O)[*:1]
C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)C1CCCC1 C1CCC(C1)[*:1] C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[*:1]
COCC(=O)Nc1cccc(CNC(=O)N[C@H](C)c2ccccc2Cl)c1 COC[*:1] C[C@@H](NC(=O)NCc1cccc(c1)NC(=O)[*:1])c1ccccc1Cl
COCC(=O)Nc1cccc(CNC(=O)N[C@H](C)c2ccccc2Cl)c1 COCC(=O)N[*:1] C[C@@H](NC(=O)NCc1cccc(c1)[*:1])c1ccccc1Cl
COCC(=O)Nc1cccc(CNC(=O)N[C@H](C)c2ccccc2Cl)c1 Clc1ccccc1[*:1] COCC(=O)Nc1cccc(c1)CNC(=O)N[C@H](C)[*:1]
C[NH+](C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])o2)C1 O=[N+]([O-])[*:1] C[NH+](C)[C@@H]1CCCN(Cc2ccc(o2)[*:1])C1
CCC(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 Fc1ccc(cc1F)[*:1] CCC(=O)Nc1c(oc2ccccc12)C(=O)N[*:1]
CCC(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 CCC(=O)N[*:1] O=C(Nc1ccc(F)c(F)c1)c1oc2ccccc2c1[*:1]
CCC(=O)N1CC[C@@H](C(=O)O[C@@H]2C=C(c3ccc(Cl)cc3)CC2)C1 Clc1ccc(cc1)[*:1] CCC(=O)N1CC[C@H](C1)C(=O)O[C@@H]1C=C(CC1)[*:1]
Cc1cc(OCC(=O)N2CCC[C@@H](C)C2)cc2oc(=O)c3ccccc3c12 C[C@@H]1CCCN(C1)C(=O)[*:1] Cc1cc(cc2oc(=O)c3ccccc3c12)OC[*:1]
O=c1nc2n(Cc3ccccc3)c3ccccc3nc-2c(=O)[nH]1 c1ccc(cc1)C[*:1] O=c1nc2-c(nc3ccccc3n2[*:1])c(=O)[nH]1
O=c1nc2n(Cc3ccccc3)c3ccccc3nc-2c(=O)[nH]1 c1ccc(cc1)[*:1] O=c1nc2-c(nc3ccccc3n2C[*:1])c(=O)[nH]1
Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(c1)[*:1]
Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 Cc1cc(Cl)ccc1[*:1] O=C(CO[*:1])Nc1cccc(c1)OC[C@@H]1CCCO1
O=c1n(CCn2cccc2)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 c1ccn(c1)[*:1] O=c1n(CC[*:1])nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1
O=c1n(CCn2cccc2)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 c1ccn(c1)CC[*:1] O=c1n(nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1)[*:1]
O=c1n(CCn2cccc2)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=c1n(CCn2cccc2)nc([C@H]2CCC[NH2+]C2)n1[*:1]
O=c1n(CCn2cccc2)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 c1ccn(c1)C[*:1] O=c1n(C[*:1])nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1
CC(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 CC(=O)N[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCC1)c1ccc(cc1)[*:1]
Cc1nc2c(SCC(=O)N3C[C@H](C)O[C@H](C)C3)nnc(-c3ccccc3)c2s1 c1ccc(cc1)[*:1] Cc1nc2c(nnc(c2s1)[*:1])SCC(=O)N1C[C@H](C)O[C@H](C)C1
CCCn1cc(CC[NH3+])c2ccc(C)cc21 CCC[*:1] Cc1ccc2c(cn(c2c1)[*:1])CC[NH3+]
CCCn1cc(CC[NH3+])c2ccc(C)cc21 [NH3+]CC[*:1] CCCn1cc(c2ccc(C)cc21)[*:1]
COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)CC1CCOCC1)C2 C1CC(CCO1)C[*:1] COc1ccc2C[C@H](COc2c1)[NH2+][C@@H](C)[*:1]
COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)CC1CCOCC1)C2 C1CC(CCO1)[*:1] COc1ccc2C[C@H](COc2c1)[NH2+][C@@H](C)C[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1ccc(N2CCCC2)[nH+]c1C C1CCN(C1)[*:1] CC[C@H](CSC)N(C)C(=O)Nc1ccc([nH+]c1C)[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1ccc(N2CCCC2)[nH+]c1C CSC[*:1] CC[C@H](N(C)C(=O)Nc1ccc([nH+]c1C)N1CCCC1)[*:1]
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccccc1 Clc1ccc(cc1)[*:1] CC(C)N(Cc1nc(no1)[*:1])C(=O)Cc1ccccc1
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)N(Cc1nc(no1)-c1ccc(Cl)cc1)C(=O)C[*:1]
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccccc1 CC(C)[*:1] O=C(Cc1ccccc1)N(Cc1nc(no1)-c1ccc(Cl)cc1)[*:1]
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)N(Cc1nc(no1)-c1ccc(Cl)cc1)C(=O)[*:1]
CN(CC(C)(CO)CO)c1ccc(C#N)cc1F CC(CO)(CO)[*:1] CN(C[*:1])c1ccc(C#N)cc1F
Cc1ccc(NC(=O)c2ccc(NC[C@H](C)Cn3cccn3)nc2)cc1 c1cnn(c1)C[*:1] Cc1ccc(cc1)NC(=O)c1ccc(nc1)NC[C@H](C)[*:1]
Cc1ccc(NC(=O)c2ccc(NC[C@H](C)Cn3cccn3)nc2)cc1 c1cnn(c1)[*:1] Cc1ccc(cc1)NC(=O)c1ccc(nc1)NC[C@H](C)C[*:1]
Cc1ccc(NC(=O)c2ccc(NC[C@H](C)Cn3cccn3)nc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CNc1ccc(cn1)C(=O)N[*:1])Cn1cccn1
CC(C)S(=O)(=O)CC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 CC(C)S(=O)(=O)[*:1] O=C(C[*:1])N[C@H](c1ccccc1)c1cccc(F)c1
CC(C)S(=O)(=O)CC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 CC(C)S(=O)(=O)C[*:1] O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[*:1]
CC(C)S(=O)(=O)CC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 CC(C)[*:1] O=C(CS(=O)(=O)[*:1])N[C@H](c1ccccc1)c1cccc(F)c1
CC(C)S(=O)(=O)CC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)S(=O)(=O)CC(=O)N[C@H](c1ccccc1)[*:1]
CC(C)S(=O)(=O)CC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] CC(C)S(=O)(=O)CC(=O)N[C@H](c1cccc(F)c1)[*:1]
CCCC[C@H]([NH3+])[C@H](C)c1ccncc1 CCCC[*:1] C[C@H](c1ccncc1)[C@@H]([NH3+])[*:1]
CCCC[C@H]([NH3+])[C@H](C)c1ccncc1 CCC[*:1] C[C@H](c1ccncc1)[C@@H]([NH3+])C[*:1]
CCCc1cc(NC(=O)N2C[C@H]3[C@@H](C2)OCCN3C)n(C)n1 CCC[*:1] CN1CCO[C@@H]2CN(C[C@@H]21)C(=O)Nc1cc(nn1C)[*:1]
CCn1ncc(C(=O)C(Cl)(Cl)Cl)c1C ClC(Cl)(Cl)[*:1] CCn1ncc(C(=O)[*:1])c1C
CC[C@@H](C)C[S@@](=O)Cc1ccc(OC)cc1Cl CC[C@@H](C)[*:1] COc1ccc(C[S@](=O)C[*:1])c(Cl)c1
CC[C@@H](C)C[S@@](=O)Cc1ccc(OC)cc1Cl CC[C@@H](C)C[*:1] COc1ccc(C[S@](=O)[*:1])c(Cl)c1
CCOCCN1CC[NH+](C[C@H]2CCCCO2)CC1 CCOC[*:1] C1CC[C@H](C[NH+]2CCN(CC2)C[*:1])OC1
CCOCCN1CC[NH+](C[C@H]2CCCCO2)CC1 CCO[*:1] C1CC[C@H](C[NH+]2CCN(CC2)CC[*:1])OC1
CCOCCN1CC[NH+](C[C@H]2CCCCO2)CC1 CCOCC[*:1] C1CC[C@H](C[NH+]2CCN(CC2)[*:1])OC1
CCOCCN1CC[NH+](C[C@H]2CCCCO2)CC1 C1CC[C@@H](OC1)[*:1] CCOCCN1CC[NH+](CC1)C[*:1]
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OC O=[N+]([O-])[*:1] COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(c2)[*:1])c1OC
CN(C)c1ccc([C@@H]2OCCn3c(-c4ccc(Cl)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1 CN(C)c1ccc(cc1)[*:1] Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3CCO[C@H](c3c2n(C)c1=O)[*:1]
CN(C)c1ccc([C@@H]2OCCn3c(-c4ccc(Cl)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1 CN(C)[*:1] Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3CCO[C@@H](c4ccc(cc4)[*:1])c3c2n(C)c1=O
CN(C)c1ccc([C@@H]2OCCn3c(-c4ccc(Cl)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1 Clc1ccc(cc1)[*:1] CN(C)c1ccc(cc1)[C@@H]1OCCn2c(c3c(=O)n(C)c(=O)n(C)c3c21)[*:1]
c1cnc(-c2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)cn1 c1cnc(cn1)[*:1] c1cc2OCOc2cc1OCc1nnc2sc(nn12)[*:1]
O=C(Nc1cnn(CC(F)F)c1)c1ccccc1Cn1cncn1 FC(F)C[*:1] O=C(Nc1cnn(c1)[*:1])c1ccccc1Cn1cncn1
O=C(Nc1cnn(CC(F)F)c1)c1ccccc1Cn1cncn1 FC(F)[*:1] O=C(Nc1cnn(c1)C[*:1])c1ccccc1Cn1cncn1
O=C(Nc1cnn(CC(F)F)c1)c1ccccc1Cn1cncn1 c1ncn(n1)[*:1] O=C(Nc1cnn(c1)CC(F)F)c1ccccc1C[*:1]
O=C(Nc1cnn(CC(F)F)c1)c1ccccc1Cn1cncn1 c1ncn(C[*:1])n1 O=C(Nc1cnn(c1)CC(F)F)c1ccccc1[*:1]
CCCNC(=O)C[S@@](=O)Cc1nc2ccccc2s1 CCC[*:1] O=C(C[S@@](=O)Cc1nc2ccccc2s1)N[*:1]
CCCNC(=O)C[S@@](=O)Cc1nc2ccccc2s1 CCCNC(=O)[*:1] O=[S@@](Cc1nc2ccccc2s1)C[*:1]
CN1C(=O)c2sccc2N2[C@@H](CCCC(=O)NCCc3c[nH]c4ccccc34)NN[C@@H]12 c1ccc2c(c[nH]c2c1)C[*:1] CN1C(=O)c2sccc2N2[C@@H](CCCC(=O)NC[*:1])NN[C@@H]12
CN1C(=O)c2sccc2N2[C@@H](CCCC(=O)NCCc3c[nH]c4ccccc34)NN[C@@H]12 c1ccc2c(c[nH]c2c1)[*:1] CN1C(=O)c2sccc2N2[C@@H](CCCC(=O)NCC[*:1])NN[C@@H]12
COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccnc1 COc1ccccc1[*:1] CC1NC(=O)N[C@@H](C=1C(=O)N[*:1])c1cccnc1
COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccnc1 c1cncc(c1)[*:1] COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1[*:1]
CC1CC[NH+](CCNC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1 C1CCC(CC1)[*:1] CC1CC[NH+](CCNC(=O)NC2CCN(CC2)C(=O)[*:1])CC1
C[C@H](C1CC1)N(C)c1nc(C(F)(F)F)ccc1C(=O)[O-] O=C([O-])[*:1] C[C@H](C1CC1)N(C)c1nc(ccc1[*:1])C(F)(F)F
C[C@H](C1CC1)N(C)c1nc(C(F)(F)F)ccc1C(=O)[O-] FC(F)(F)[*:1] C[C@H](C1CC1)N(C)c1nc(ccc1C(=O)[O-])[*:1]
C[C@H](C1CC1)N(C)c1nc(C(F)(F)F)ccc1C(=O)[O-] C1CC1[*:1] C[C@H](N(C)c1nc(ccc1C(=O)[O-])C(F)(F)F)[*:1]
C[C@H](C1CC1)N(C)c1nc(C(F)(F)F)ccc1C(=O)[O-] C[C@H](C1CC1)[*:1] CN(c1nc(ccc1C(=O)[O-])C(F)(F)F)[*:1]
CC(C)c1nnnn1CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 CC(C)c1nnnn1[*:1] CN(C)C(=O)c1cc(ccc1Cl)NC(=O)C[*:1]
CC(C)c1nnnn1CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 CC(C)[*:1] CN(C)C(=O)c1cc(ccc1Cl)NC(=O)Cn1nnnc1[*:1]
CC(C)c1nnnn1CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC(C)c1nnnn1CC(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(=O)N1CCc2cc(NC(=O)c3coc(Br)c3)ccc21 Brc1cc(co1)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 CC(C)(C)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)c1cc(n[nH]1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 CNC(=O)[C@H](C)[*:1] CN(C[*:1])C(=O)c1cc(n[nH]1)C(C)(C)C
CNC(=O)[C@H](C)CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 CNC(=O)[*:1] C[C@H](CN(C)C(=O)c1cc(n[nH]1)C(C)(C)C)[*:1]
[NH3+]CCOCC(=O)N1CCC[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] [NH3+]CCOCC(=O)N1CCC[C@H]1[*:1]
CNS(=O)(=O)c1ccc([C@H](C)NCCc2ccccn2)cc1 CNS(=O)(=O)[*:1] C[C@H](NCCc1ccccn1)c1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc([C@H](C)NCCc2ccccn2)cc1 c1ccc(C[*:1])nc1 CNS(=O)(=O)c1ccc(cc1)[C@H](C)NC[*:1]
CNS(=O)(=O)c1ccc([C@H](C)NCCc2ccccn2)cc1 c1ccc(nc1)[*:1] CNS(=O)(=O)c1ccc(cc1)[C@H](C)NCC[*:1]
FCCC[NH2+][C@H]1CCc2c(Br)cc(Cl)cc21 FCC[*:1] Clc1cc(Br)c2CC[C@H]([NH2+]C[*:1])c2c1
FCCC[NH2+][C@H]1CCc2c(Br)cc(Cl)cc21 FCCC[*:1] Clc1cc(Br)c2CC[C@H]([NH2+][*:1])c2c1
CCOc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1Cl CCO[*:1] Nc1c(cc(F)cc1[N+](=O)[O-])C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCOc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1Cl O=[N+]([O-])[*:1] CCOc1ccc(cc1Cl)NC(=O)c1cc(F)cc(c1N)[*:1]
O=C(NCC1([NH+]2CCCCC2)CCCC1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 C1CCCC(CC1)[*:1] O=C(NCC1(CCCC1)[NH+]1CCCCC1)[C@@H]1CCC(=O)N(C1)[*:1]
Nc1nnc(CC(=O)NCCN2CCCc3ccccc32)s1 Nc1nnc(C[*:1])s1 O=C(NCCN1CCCc2ccccc21)[*:1]
Nc1nnc(CC(=O)NCCN2CCCc3ccccc32)s1 Nc1nnc(s1)[*:1] O=C(C[*:1])NCCN1CCCc2ccccc21
C[NH+]1CCN(C(C)(C)C(=O)NCC(C)(C)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)NCC(C)(C)[*:1]
CC1=C(C(=O)N/N=C/c2ccccc2)[C@H](c2ccccc2)NC(=S)N1 c1ccc(cc1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N/N=C/c1ccccc1)[*:1]
CC1=C(C(=O)N/N=C/c2ccccc2)[C@H](c2ccccc2)NC(=S)N1 c1ccc(cc1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)NN=C[*:1])c1ccccc1
COC(=O)[C@H](C1CC1)N1C(=O)C(=O)c2cccc(F)c21 C1CC1[*:1] COC(=O)[C@H](N1C(=O)C(=O)c2cccc(F)c21)[*:1]
COC(=O)[C@H](C1CC1)N1C(=O)C(=O)c2cccc(F)c21 COC(=O)[*:1] O=C1C(=O)N(c2c(F)cccc21)[C@@H](C1CC1)[*:1]
Nc1nc(N2CCOC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(ccc1[*:1])N1CCOC[C@H]1C(=O)[O-]
Nc1nc(N2CCOC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] O=C([O-])[*:1] Nc1nc(ccc1[N+](=O)[O-])N1CCOC[C@@H]1[*:1]
C[C@H]1CCN(C(=O)C(C2CC2)C2CC2)C[C@H]1O C1CC1[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)C(C1CC1)[*:1]
CC[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(NN)cc1C CC[C@@H](C)C[*:1] Cc1cc(NN)c(cc1S(=O)(=O)N[*:1])[N+](=O)[O-]
CC[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(NN)cc1C O=[N+]([O-])[*:1] CC[C@@H](C)CNS(=O)(=O)c1cc(c(cc1C)NN)[*:1]
CC[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(NN)cc1C CC[C@@H](C)[*:1] Cc1cc(NN)c(cc1S(=O)(=O)NC[*:1])[N+](=O)[O-]
CCc1ccc([C@H](C)NC(=O)[C@H](C)[S@@](=O)c2ccc(C)cn2)cc1 Cc1ccc(nc1)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)[C@H](C)[S@@](=O)[*:1]
CCc1ccc([C@H](C)NC(=O)[C@H](C)[S@@](=O)c2ccc(C)cn2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(nc1)[S@](=O)[C@@H](C)C(=O)N[C@@H](C)[*:1]
C[C@@](O)(CNC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1ccco1 C[C@@](O)(c1ccco1)[*:1] O=C(NC[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
C[C@@](O)(CNC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1ccco1 c1coc(c1)[*:1] C[C@@](O)(CNC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2 Clc1cccc(c1)[*:1] CSc1nc2NC3CC(C)(C)CC(=O)C=3[C@H](n2n1)[*:1]
C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]C/C=C/c1ccccc1)[*:1]
C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]CC=C[*:1])c1ccccc1
C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCc1ccc(F)cc1)CS2 Fc1ccc(cc1)[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)NCC[*:1]
CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1 CCOCCC[*:1] COc1cccc(c1)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1 CCOCC[*:1] COc1cccc(c1)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1C[*:1]
CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1 CCOC[*:1] COc1cccc(c1)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1CC[*:1]
CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1 CCO[*:1] COc1cccc(c1)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCC[*:1]
CC[NH+]1CCN([C@@H](c2ccccc2F)c2c([O-])cc(C)n(CCOC)c2=O)CC1 COC[*:1] CC[NH+]1CCN(CC1)[C@@H](c1ccccc1F)c1c([O-])cc(C)n(C[*:1])c1=O
CC[NH+]1CCN([C@@H](c2ccccc2F)c2c([O-])cc(C)n(CCOC)c2=O)CC1 Fc1ccccc1[*:1] CC[NH+]1CCN(CC1)[C@@H](c1c([O-])cc(C)n(CCOC)c1=O)[*:1]
CC[NH+]1CCN([C@@H](c2ccccc2F)c2c([O-])cc(C)n(CCOC)c2=O)CC1 COCC[*:1] CC[NH+]1CCN(CC1)[C@@H](c1ccccc1F)c1c([O-])cc(C)n(c1=O)[*:1]
Cn1c(-c2ccccc2)c([C@H]2c3ccccc3C(=O)N2CC(=O)N2CCN(C=O)CC2)c2ccccc21 c1ccc(cc1)[*:1] Cn1c(c(c2ccccc21)[C@H]1c2ccccc2C(=O)N1CC(=O)N1CCN(C=O)CC1)[*:1]
COc1ccc(-c2noc(COC(=O)c3cc4cc(F)ccc4s3)n2)cc1 COc1ccc(cc1)[*:1] O=C(OCc1nc(no1)[*:1])c1cc2cc(F)ccc2s1
C[C@H]1CN(CCCCNC(=O)c2cn(C)nc2C(C)(C)C)C[C@@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(CCCCNC(=O)c2cn(C)nc2[*:1])C[C@@H](C)O1
CCOc1ccc(O)c(/C=[NH+]/Cc2noc(-c3ccco3)n2)c1 CCO[*:1] Oc1ccc(cc1/C=[NH+]/Cc1noc(n1)-c1ccco1)[*:1]
CCOc1ccc(O)c(/C=[NH+]/Cc2noc(-c3ccco3)n2)c1 c1coc(c1)[*:1] CCOc1ccc(O)c(/C=[NH+]/Cc2noc(n2)[*:1])c1
O=C(c1cccc(Cl)c1)N1CCN(Cc2cccc(Br)c2)CC1 Clc1cccc(c1)[*:1] O=C(N1CCN(CC1)Cc1cccc(Br)c1)[*:1]
O=C(c1cccc(Cl)c1)N1CCN(Cc2cccc(Br)c2)CC1 Brc1cccc(c1)[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)C[*:1]
N#CCCCC[NH2+]Cc1nc2c(s1)CCC2 N#CCCC[*:1] C1Cc2nc(C[NH2+]C[*:1])sc2C1
N#CCCCC[NH2+]Cc1nc2c(s1)CCC2 N#CC[*:1] C1Cc2nc(C[NH2+]CCC[*:1])sc2C1
N#CCCCC[NH2+]Cc1nc2c(s1)CCC2 N#CCC[*:1] C1Cc2nc(C[NH2+]CC[*:1])sc2C1
CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1 CC(=O)[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1 O=C(Nc1ccc(F)cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)c1nnc(s1)C(=O)N[*:1]
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)c1ccc(cc1)[*:1] CN1CCC/C1=N\S(=O)(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@H]1[*:1]
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 CN1CCC/C1=N\S(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F
CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] CN1CCC/C1=N\S(=O)(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@@H]1c1ccc(cc1)[*:1]
CN(C(=O)COC1CCCC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)COC1CCCC1)[C@@H]1CCCC[C@@H]1[*:1]
CN(C(=O)COC1CCCC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O C1CCC(C1)OC[*:1] CN(C(=O)[*:1])[C@@H]1CCCC[C@H]1S(C)(=O)=O
CN(C(=O)COC1CCCC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O C1CCC(C1)[*:1] CN(C(=O)CO[*:1])[C@@H]1CCCC[C@H]1S(C)(=O)=O
CN(C(=O)COC1CCCC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O C1CCC(C1)O[*:1] CN(C(=O)C[*:1])[C@@H]1CCCC[C@H]1S(C)(=O)=O
CC(C)c1ccc2c(c1)[C@@]1(CC(O)=Nc3c1cnn3Cc1ccc(Cl)cc1)C(=O)N2 Clc1ccc(cc1)[*:1] CC(C)c1ccc2NC(=O)[C@]3(CC(O)=Nc4c3cnn4C[*:1])c2c1
CC(C)c1ccc2c(c1)[C@@]1(CC(O)=Nc3c1cnn3Cc1ccc(Cl)cc1)C(=O)N2 CC(C)[*:1] O=C1Nc2ccc(cc2[C@@]12CC(O)=Nc1c2cnn1Cc1ccc(Cl)cc1)[*:1]
CC(C)c1ccc2c(c1)[C@@]1(CC(O)=Nc3c1cnn3Cc1ccc(Cl)cc1)C(=O)N2 Clc1ccc(cc1)C[*:1] CC(C)c1ccc2NC(=O)[C@]3(CC(O)=Nc4c3cnn4[*:1])c2c1
CCN(C(=O)C(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)c(F)c1 c1ccc(cc1)[*:1] CCN(C(=O)C(=O)c1cnn(c1)[*:1])c1ccc(F)c(F)c1
CCN(C(=O)C(=O)c1cnn(-c2ccccc2)c1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCN(C(=O)C(=O)c1cnn(c1)-c1ccccc1)[*:1]
C[C@H]1CN(Cc2cnc3cnccn23)C[C@H](c2ccc(F)cc2)O1 Fc1ccc(cc1)[*:1] C[C@H]1CN(Cc2cnc3cnccn23)C[C@H](O1)[*:1]
O=C(CCc1ccsc1)NCCS(=O)(=O)c1ccccc1 c1cc(cs1)[*:1] O=C(CC[*:1])NCCS(=O)(=O)c1ccccc1
O=C(CCc1ccsc1)NCCS(=O)(=O)c1ccccc1 c1cc(cs1)C[*:1] O=C(C[*:1])NCCS(=O)(=O)c1ccccc1
O=C(CCc1ccsc1)NCCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1ccsc1)NCCS(=O)(=O)[*:1]
O=C(CCc1ccsc1)NCCS(=O)(=O)c1ccccc1 c1cc(cs1)CC[*:1] O=C(NCCS(=O)(=O)c1ccccc1)[*:1]
CCOc1ccc([C@H](c2c([O-])cc(=O)[nH]c2C)c2c([O-])cc(C)[nH]c2=O)cc1 CCO[*:1] Cc1cc([O-])c(c(=O)[nH]1)[C@H](c1ccc(cc1)[*:1])c1c([O-])cc(=O)[nH]c1C
CCOc1ccc([C@H](c2c([O-])cc(=O)[nH]c2C)c2c([O-])cc(C)[nH]c2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1cc([O-])c(c(=O)[nH]1)[C@@H](c1c([O-])cc(=O)[nH]c1C)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc2c(c1)COC2 CC(C)(C)C(=O)N[*:1] C[C@@H](C(=O)Nc1ccc2COCc2c1)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc2c(c1)COC2 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1ccc2COCc2c1
CCSc1ccc(NC(=O)NCCCO)cn1 CCS[*:1] O=C(NCCCO)Nc1ccc(nc1)[*:1]
CCSc1ccc(NC(=O)NCCCO)cn1 OCCC[*:1] CCSc1ccc(cn1)NC(=O)N[*:1]
CCSc1ccc(NC(=O)NCCCO)cn1 OCC[*:1] CCSc1ccc(cn1)NC(=O)NC[*:1]
C=C(C)C[C@@H]1C(Br)=CCC[N+]1(C)C C=C(C)[*:1] C[N+]1(C)CCC=C(Br)[C@H]1C[*:1]
C=C(C)C[C@@H]1C(Br)=CCC[N+]1(C)C C=C(C)C[*:1] C[N+]1(C)CCC=C(Br)[C@H]1[*:1]
C[C@@H]([NH3+])Cc1ccc(OCC(=O)NCCC#N)cn1 N#CC[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)OCC(=O)NC[*:1]
C[C@@H]([NH3+])Cc1ccc(OCC(=O)NCCC#N)cn1 N#CCC[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)OCC(=O)N[*:1]
O=C(Cc1cccc2ccccc12)NNC(=O)Nc1cccnc1 c1cncc(c1)[*:1] O=C(Cc1cccc2ccccc12)NNC(=O)N[*:1]
COC(=O)[C@H]1CCN(C(=O)N[C@H](C(=O)[O-])C2CC2)C1 O=C([O-])[*:1] COC(=O)[C@H]1CCN(C1)C(=O)N[C@H](C1CC1)[*:1]
COC(=O)[C@H]1CCN(C(=O)N[C@H](C(=O)[O-])C2CC2)C1 C1CC1[*:1] COC(=O)[C@H]1CCN(C1)C(=O)N[C@H](C(=O)[O-])[*:1]
COC(=O)[C@H]1CCN(C(=O)N[C@H](C(=O)[O-])C2CC2)C1 COC(=O)[*:1] O=C([O-])[C@@H](NC(=O)N1CC[C@@H](C1)[*:1])C1CC1
C[NH+]1CCN(C(=O)CN2CCN(CC3CCCC3)C(=O)C2)CC1 C1CCC(C1)[*:1] C[NH+]1CCN(CC1)C(=O)CN1CCN(C[*:1])C(=O)C1
C[NH+]1CCN(C(=O)CN2CCN(CC3CCCC3)C(=O)C2)CC1 C1CCC(C1)C[*:1] C[NH+]1CCN(CC1)C(=O)CN1CCN(C(=O)C1)[*:1]
Cc1cccc(NC(=O)CN2CC[NH+](CC3CCCCC3)CC2)c1C C1CCC(CC1)[*:1] Cc1cccc(NC(=O)CN2CC[NH+](CC2)C[*:1])c1C
Cc1cccc(NC(=O)CN2CC[NH+](CC3CCCCC3)CC2)c1C C1CCC(CC1)C[*:1] Cc1cccc(NC(=O)CN2CC[NH+](CC2)[*:1])c1C
Cc1cccc(NC(=O)CN2CC[NH+](CC3CCCCC3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(CN1CC[NH+](CC1)CC1CCCCC1)N[*:1]
Cc1c(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cnn1C Cc1c(cnn1C)C[*:1] CN(C)c1ncc(-c2ccccc2)c(n1)[C@H]1CCCN(C1)[*:1]
Cc1c(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cnn1C Cc1c(cnn1C)[*:1] CN(C)c1ncc(-c2ccccc2)c(n1)[C@H]1CCCN(C1)C[*:1]
Cc1c(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)CN1CCC[C@@H](C1)c1nc(ncc1[*:1])N(C)C
Cc1c(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cnn1C CN(C)[*:1] Cc1c(cnn1C)CN1CCC[C@@H](C1)c1nc(ncc1-c1ccccc1)[*:1]
CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccccc1OC COc1ccccc1[*:1] CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N[*:1]
CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)O[*:1])cc1
CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)OCc2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)OC[*:1])cc1
CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)OCc2ccccc2)cc1 CN(C)S(=O)(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])OCc1ccccc1
CCN(Cc1cn(C)nc1C)[C@@H](C)CS(=O)(=O)CC CCS(=O)(=O)[*:1] CCN(Cc1cn(C)nc1C)[C@@H](C)C[*:1]
CCN(Cc1cn(C)nc1C)[C@@H](C)CS(=O)(=O)CC CCS(=O)(=O)C[*:1] CCN(Cc1cn(C)nc1C)[C@@H](C)[*:1]
C[C@H](Cn1cncn1)NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] C[C@H](Cn1cncn1)NC(=O)c1cnc(cn1)[*:1]
C[C@H](Cn1cncn1)NC(=O)c1cnc(Oc2ccccc2)cn1 c1ncn(C[*:1])n1 C[C@H](NC(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
C[C@H](Cn1cncn1)NC(=O)c1cnc(Oc2ccccc2)cn1 c1ncn(n1)[*:1] C[C@H](C[*:1])NC(=O)c1cnc(cn1)Oc1ccccc1
C[C@H](Cn1cncn1)NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] C[C@H](Cn1cncn1)NC(=O)c1cnc(cn1)O[*:1]
CCCCS[C@@H](C)C(=O)N1CCOC[C@H]1C1CC1 CCC[*:1] C[C@H](SC[*:1])C(=O)N1CCOC[C@H]1C1CC1
CCCCS[C@@H](C)C(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] CCCCS[C@@H](C)C(=O)N1CCOC[C@@H]1[*:1]
CCCCS[C@@H](C)C(=O)N1CCOC[C@H]1C1CC1 CCCCS[*:1] C[C@@H](C(=O)N1CCOC[C@H]1C1CC1)[*:1]
CCCCS[C@@H](C)C(=O)N1CCOC[C@H]1C1CC1 CCCC[*:1] C[C@H](S[*:1])C(=O)N1CCOC[C@H]1C1CC1
CO[C@@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 CO[C@@H]1CCCC[C@@H]1[*:1] CN1CCC(CC1)(CNC(=O)N[*:1])[NH+]1CCCCC1
Cc1nc(C)c(C(=O)NCC(=O)Nc2cccc3cccnc23)s1 Cc1nc(C)c(s1)[*:1] O=C(CNC(=O)[*:1])Nc1cccc2cccnc12
C[C@](O)(CNc1cc(Br)cc(F)c1C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNc1cc(Br)cc(F)c1C(N)=O)[*:1]
C[C@](O)(CNc1cc(Br)cc(F)c1C(N)=O)c1ccccc1 NC(=O)[*:1] C[C@](O)(CNc1cc(Br)cc(F)c1[*:1])c1ccccc1
CC(C)NC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 CC(C)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)NC(=O)N[*:1]
CC(C)NC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 C1CC1[*:1] CC(C)NC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[*:1]
CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 CCCC[*:1] COc1cc(cc(Br)c1O)[C@H]1NC(=O)N(C)C(C)=C1C(=O)O[*:1]
CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 CCCCOC(=O)[*:1] COc1cc(cc(Br)c1O)[C@H]1NC(=O)N(C)C(C)=C1[*:1]
CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 CCC[*:1] COc1cc(cc(Br)c1O)[C@H]1NC(=O)N(C)C(C)=C1C(=O)OC[*:1]
CCc1ncsc1NC(=O)c1cnn(-c2ccncc2)c1C CCc1ncsc1[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N[*:1]
CCc1ncsc1NC(=O)c1cnn(-c2ccncc2)c1C c1cc(ccn1)[*:1] CCc1ncsc1NC(=O)c1cnn(c1C)[*:1]
O=C(c1coc(=O)c(Br)c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 O=c1occ(cc1Br)[*:1] O=C(N1CCC(CC1)C(O)(c1ccccc1)c1ccccc1)[*:1]
O=C(c1coc(=O)c(Br)c1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1coc(=O)c(Br)c1)N1CCC(CC1)C(O)(c1ccccc1)[*:1]
FC(F)n1ccnc1COc1ccc2c(c1)OCO2 FC(F)[*:1] c1cn(c(COc2ccc3OCOc3c2)n1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 c1ccc(nc1)[*:1] C[C@@H](N(C)C(=O)[C@H]1CCCN(C1)C(=O)NC1CCCC1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 C[C@@H](c1ccccn1)[*:1] CN(C(=O)[C@H]1CCCN(C1)C(=O)NC1CCCC1)[*:1]
O[C@H](CN(Cc1ncccc1C(F)(F)F)C1CC1)c1ccccc1 O[C@H](c1ccccc1)[*:1] FC(F)(F)c1cccnc1CN(C[*:1])C1CC1
O[C@H](CN(Cc1ncccc1C(F)(F)F)C1CC1)c1ccccc1 FC(F)(F)[*:1] O[C@H](CN(Cc1ncccc1[*:1])C1CC1)c1ccccc1
O[C@H](CN(Cc1ncccc1C(F)(F)F)C1CC1)c1ccccc1 C1CC1[*:1] O[C@H](CN(Cc1ncccc1C(F)(F)F)[*:1])c1ccccc1
O[C@H](CN(Cc1ncccc1C(F)(F)F)C1CC1)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](CN(Cc1ncccc1C(F)(F)F)C1CC1)[*:1]
CCOC(=O)[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)COC3)C1 CCOC(=O)[*:1] O=C(Nc1ccc2COCc2c1)N[C@H]1CC[C@H](C1)[*:1]
C=CCn1/c(=N/C(=O)c2sc(C)nc2C)sc2cc(Br)ccc21 C=CC[*:1] Cc1nc(C)c(s1)C(=O)/N=c1\sc2cc(Br)ccc2n1[*:1]
C=CCn1/c(=N/C(=O)c2sc(C)nc2C)sc2cc(Br)ccc21 Cc1nc(C)c(s1)[*:1] C=CCn1/c(=N/C(=O)[*:1])sc2cc(Br)ccc21
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CCS[C@@H]1CCCC[C@@H]1NC(=O)NC[*:1]
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1ncn(C)n1 CCS[*:1] Cn1cnc(CNC(=O)N[C@H]2CCCC[C@H]2[*:1])n1
COc1ccccc1CNS(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1 O=C(N1CCCCCC1)[*:1] COc1ccccc1CNS(=O)(=O)c1cc(cs1)[*:1]
COc1ccccc1CNS(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1 COc1ccccc1[*:1] O=C(c1csc(c1)S(=O)(=O)NC[*:1])N1CCCCCC1
COc1ccccc1CNS(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1 COc1ccccc1C[*:1] O=C(c1csc(c1)S(=O)(=O)N[*:1])N1CCCCCC1
O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)c(/C=[NH+]\CCN3CC[NH2+]CC3)c2O)cc1 O=[N+]([O-])[*:1] Oc1c(/C=[NH+]\CCN2CC[NH2+]CC2)c(nn1-c1ccc(cc1)[*:1])-c1ccccc1
O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)c(/C=[NH+]\CCN3CC[NH2+]CC3)c2O)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-n1nc(c(/C=[NH+]\CCN2CC[NH2+]CC2)c1O)[*:1]
O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)c(/C=[NH+]\CCN3CC[NH2+]CC3)c2O)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Oc1c(/C=[NH+]\CCN2CC[NH2+]CC2)c(nn1[*:1])-c1ccccc1
C=CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 C=CCOc1ccc(cc1)[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](N1[C@H]1CCS(=O)(=O)C1)[*:1]
C=CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 C=CCO[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(cc2)[*:1])N1[C@H]1CCS(=O)(=O)C1
C=CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 Oc1ccccc1[*:1] C=CCOc1ccc(cc1)[C@H]1c2c(n[nH]c2C(=O)N1[C@H]1CCS(=O)(=O)C1)[*:1]
C=CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 C=CC[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(cc2)O[*:1])N1[C@H]1CCS(=O)(=O)C1
O[C@@H](CN[C@H]1CCc2sc(Cl)cc21)c1ccncc1 c1cc(ccn1)[*:1] O[C@@H](CN[C@H]1CCc2sc(Cl)cc21)[*:1]
C=C(C)CN(CC)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 C=C(C)[*:1] CCN(C[*:1])C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O
C=C(C)CN(CC)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 C=C(C)C[*:1] CCN(C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)C1 C1CCC(C1)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H](c1ccccc1F)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)C1 CC(=O)N[*:1] O=C(N[C@H](c1ccccc1F)C1CCCC1)N1CCC[C@H](C1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)C1 Fc1ccccc1[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H](C1CCCC1)[*:1]
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc(s1)S(=O)(=O)N1CCCCC1)N[*:1]
CCN1C[C@H](CN(C)c2ccc(C(N)=O)cc2[N+](=O)[O-])Oc2ccccc21 NC(=O)[*:1] CCN1C[C@H](CN(C)c2ccc(cc2[N+](=O)[O-])[*:1])Oc2ccccc21
CCN1C[C@H](CN(C)c2ccc(C(N)=O)cc2[N+](=O)[O-])Oc2ccccc21 O=[N+]([O-])[*:1] CCN1C[C@H](CN(C)c2ccc(cc2[*:1])C(N)=O)Oc2ccccc21
Cc1sc(NC(=O)C[C@H]2CCCO2)c(C(N)=O)c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(NC(=O)C[C@H]2CCCO2)c(C(N)=O)c1[*:1]
Cc1sc(NC(=O)C[C@H]2CCCO2)c(C(N)=O)c1-c1ccccc1 NC(=O)[*:1] Cc1sc(NC(=O)C[C@H]2CCCO2)c(c1-c1ccccc1)[*:1]
CC(C)OCC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 CC(C)OC[*:1] C[C@H](c1cccc(F)c1)N1CC[NH+](CC1)C[*:1]
CC(C)OCC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)OCC[NH+]1CCN(CC1)[C@H](C)[*:1]
CC(C)OCC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 CC(C)O[*:1] C[C@H](c1cccc(F)c1)N1CC[NH+](CC1)CC[*:1]
CC(C)OCC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 CC(C)[*:1] C[C@H](c1cccc(F)c1)N1CC[NH+](CCO[*:1])CC1
CC(C)OCC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 CC(C)OCC[*:1] C[C@H](c1cccc(F)c1)N1CC[NH+](CC1)[*:1]
CC1(C)CCC[C@H]1[NH2+]C[C@H](C#N)c1ccccc1 c1ccc(cc1)[*:1] CC1(C)CCC[C@H]1[NH2+]C[C@H](C#N)[*:1]
CCOCCCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 CCOC[*:1] C[C@@H](NC(=O)CC[*:1])[C@@H]1CCC[NH2+]C1
CCOCCCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 CCOCC[*:1] C[C@@H](NC(=O)C[*:1])[C@@H]1CCC[NH2+]C1
CCOCCCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 CCO[*:1] C[C@@H](NC(=O)CCC[*:1])[C@@H]1CCC[NH2+]C1
O=C(Cn1[nH]c(=O)ccc1=O)Nc1ccc(-c2cc3ccccc3o2)cc1 O=c1ccc(=O)n([nH]1)[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1cc2ccccc2o1
O=C(Cn1[nH]c(=O)ccc1=O)Nc1ccc(-c2cc3ccccc3o2)cc1 c1ccc2oc(cc2c1)[*:1] O=C(Cn1[nH]c(=O)ccc1=O)Nc1ccc(cc1)[*:1]
O=C(Cn1[nH]c(=O)ccc1=O)Nc1ccc(-c2cc3ccccc3o2)cc1 O=c1ccc(=O)n(C[*:1])[nH]1 O=C(Nc1ccc(cc1)-c1cc2ccccc2o1)[*:1]
CC(C)n1nccc1NC(=O)CCOc1cccc(Br)c1 CC(C)[*:1] O=C(CCOc1cccc(Br)c1)Nc1ccnn1[*:1]
CC(C)n1nccc1NC(=O)CCOc1cccc(Br)c1 Brc1cccc(c1)[*:1] CC(C)n1nccc1NC(=O)CCO[*:1]
CC(C)c1nc(C[NH2+]CCCN2CCc3ccccc3C2)cs1 CC(C)[*:1] c1ccc2CN(CCC[NH2+]Cc3csc(n3)[*:1])CCc2c1
COC(=O)Nc1cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1F FC(F)(F)[*:1] COC(=O)Nc1cc(ccc1F)NCC(=O)Nc1cccc(c1)[*:1]
COC(=O)Nc1cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1F COC(=O)N[*:1] O=C(CNc1ccc(F)c(c1)[*:1])Nc1cccc(c1)C(F)(F)F
Cc1cccc(N2CC[NH+](CC[C@@H](C)NC(=O)N3CCC(C)CC3)CC2)c1 Cc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)N[C@H](C)CC[NH+]1CCN(CC1)[*:1]
O=C(C[C@@H]1CCCO1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F C1CO[C@@H](C1)C[*:1] O=C(N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)[*:1]
O=C(C[C@@H]1CCCO1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F C1CO[C@@H](C1)[*:1] O=C(C[*:1])N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F
CC/C(=C/[C@@H](C)CC)C[NH2+]C(C)(C)C CC[C@H](C)[*:1] CCC(=C[*:1])C[NH2+]C(C)(C)C
CC/C(=C/[C@@H](C)CC)C[NH2+]C(C)(C)C CC(C)(C)[*:1] CC/C(=C/[C@@H](C)CC)C[NH2+][*:1]
COc1ccc2cc(/C=N/NC(=O)c3ccccc3C)c(Cl)nc2c1 Cc1ccccc1[*:1] COc1ccc2cc(/C=N/NC(=O)[*:1])c(Cl)nc2c1
Cc1c(S(=O)(=O)NCc2ccccc2C(F)(F)F)cnn1C FC(F)(F)[*:1] Cc1c(cnn1C)S(=O)(=O)NCc1ccccc1[*:1]
Cc1c(S(=O)(=O)NCc2ccccc2C(F)(F)F)cnn1C Cc1c(cnn1C)[*:1] O=S(=O)(NCc1ccccc1C(F)(F)F)[*:1]
N#Cc1c(F)cccc1NC(=O)c1scnc1C1CC1 C1CC1[*:1] N#Cc1c(F)cccc1NC(=O)c1scnc1[*:1]
CNS(=O)(=O)c1ccc([C@@H](C)NCc2nnnn2C2CC2)cc1 C1CC1[*:1] CNS(=O)(=O)c1ccc(cc1)[C@@H](C)NCc1nnnn1[*:1]
CNS(=O)(=O)c1ccc([C@@H](C)NCc2nnnn2C2CC2)cc1 CNS(=O)(=O)[*:1] C[C@@H](NCc1nnnn1C1CC1)c1ccc(cc1)[*:1]
CC(=O)N1CC[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 c1ccc(cc1)[*:1] CC(=O)N1CC[C@H](C1)[NH2+][C@H](C[*:1])C1CC1
CC(=O)N1CC[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 C1CC1[*:1] CC(=O)N1CC[C@H](C1)[NH2+][C@H](Cc1ccccc1)[*:1]
Cc1cc(C)nc(N/N=C/c2c[nH]nc2-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)N/N=C/c1c[nH]nc1[*:1]
COc1ccccc1CN1C[C@H](C(=O)NCCc2cnccn2)CCC1=O c1cnc(cn1)CC[*:1] COc1ccccc1CN1C[C@@H](CCC1=O)C(=O)N[*:1]
COc1ccccc1CN1C[C@H](C(=O)NCCc2cnccn2)CCC1=O COc1ccccc1[*:1] O=C(NCCc1cnccn1)[C@@H]1CCC(=O)N(C1)C[*:1]
COc1ccccc1CN1C[C@H](C(=O)NCCc2cnccn2)CCC1=O COc1ccccc1C[*:1] O=C(NCCc1cnccn1)[C@@H]1CCC(=O)N(C1)[*:1]
COc1ccccc1CN1C[C@H](C(=O)NCCc2cnccn2)CCC1=O c1cnc(cn1)C[*:1] COc1ccccc1CN1C[C@@H](CCC1=O)C(=O)NC[*:1]
COc1ccccc1CN1C[C@H](C(=O)NCCc2cnccn2)CCC1=O c1cnc(cn1)[*:1] COc1ccccc1CN1C[C@@H](CCC1=O)C(=O)NCC[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2C)c1 Cc1ccc(c(C)c1)[*:1] C=CCNC(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2C)c1 C=CC[*:1] Cc1ccc(c(C)c1)N(C)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2C)c1 C=CCNC(=O)[*:1] Cc1ccc(c(C)c1)N(C)S(=O)(=O)c1cccc(c1)[*:1]
C=C(C)COc1ccc(NC(=S)NCC)cc1 C=C(C)[*:1] CCNC(=S)Nc1ccc(cc1)OC[*:1]
C=C(C)COc1ccc(NC(=S)NCC)cc1 C=C(C)CO[*:1] CCNC(=S)Nc1ccc(cc1)[*:1]
C=C(C)COc1ccc(NC(=S)NCC)cc1 C=C(C)C[*:1] CCNC(=S)Nc1ccc(cc1)O[*:1]
Cc1cc(CC(=O)N2CCNC[C@@H]2C(=O)Nc2ccc(F)cc2)on1 Cc1cc(C[*:1])on1 O=C(Nc1ccc(F)cc1)[C@H]1CNCCN1C(=O)[*:1]
Cc1cc(CC(=O)N2CCNC[C@@H]2C(=O)Nc2ccc(F)cc2)on1 Cc1cc(on1)[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CNCCN1C(=O)C[*:1]
Cc1cc(CC(=O)N2CCNC[C@@H]2C(=O)Nc2ccc(F)cc2)on1 Fc1ccc(cc1)[*:1] Cc1cc(CC(=O)N2CCNC[C@@H]2C(=O)N[*:1])on1
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[*:1]
Cc1ccc([C@H](C[NH3+])CCOc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](C[NH3+])CCO[*:1]
O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCCC1)N[*:1]
O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)Nc1ccc(Cl)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(CSc1nnc(o1)-c1ccc(cc1)[*:1])Nc1ccc(Cl)cc1
O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] O=S(=O)(c1ccc(cc1)-c1nnc(o1)SC[*:1])N1CCCC1
COc1cccc2c1OC[C@H](NC(=O)Nc1nc(C)cs1)C2 Cc1csc(n1)[*:1] COc1cccc2C[C@H](COc21)NC(=O)N[*:1]
NC(=O)c1cccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c1 NC(=O)[*:1] O=S(=O)(NCc1ccc(Cl)cc1Cl)c1cccc(c1)[*:1]
COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(-c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1n[nH]c(=S)n1/N=C/c1ccc(cc1)[*:1]
COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(-c3ccccc3)cc2)cc1 COc1ccc(cc1)[*:1] S=c1[nH]nc(n1/N=C/c1ccc(cc1)-c1ccccc1)[*:1]
CC[C@@H](C[C@@H](C)CO)Nc1cncc(Br)c1 C[C@@H](CO)C[*:1] CC[C@@H](Nc1cncc(Br)c1)[*:1]
CC[C@@H](C[C@@H](C)CO)Nc1cncc(Br)c1 C[C@@H](CO)[*:1] CC[C@@H](C[*:1])Nc1cncc(Br)c1
C=CC[NH+](CC(=O)[O-])Cc1ccccc1C#N C=CC[*:1] N#Cc1ccccc1C[NH+](CC(=O)[O-])[*:1]
C=CC[NH+](CC(=O)[O-])Cc1ccccc1C#N O=C([O-])[*:1] C=CC[NH+](Cc1ccccc1C#N)C[*:1]
CC1(C)CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CCS1 CS(=O)(=O)NC[*:1] CC1(C)CN(CCS1)C(=O)c1ccc(o1)[*:1]
CC1(C)CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CCS1 CS(=O)(=O)N[*:1] CC1(C)CN(CCS1)C(=O)c1ccc(C[*:1])o1
COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2cnc(C#N)n2)c1 N#Cc1ncn(n1)[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)C[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2cnc(C#N)n2)c1 N#Cc1ncn(C[*:1])n1 COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)[*:1]
Cc1nnc(SCC(=O)Nc2ccccc2SCc2ccccc2Cl)n1N Clc1ccccc1C[*:1] Cc1nnc(SCC(=O)Nc2ccccc2S[*:1])n1N
Cc1nnc(SCC(=O)Nc2ccccc2SCc2ccccc2Cl)n1N Cc1nnc(S[*:1])n1N O=C(C[*:1])Nc1ccccc1SCc1ccccc1Cl
Cc1nnc(SCC(=O)Nc2ccccc2SCc2ccccc2Cl)n1N Cc1nnc(SC[*:1])n1N O=C(Nc1ccccc1SCc1ccccc1Cl)[*:1]
Cc1nnc(SCC(=O)Nc2ccccc2SCc2ccccc2Cl)n1N Cc1nnc(n1N)[*:1] O=C(CS[*:1])Nc1ccccc1SCc1ccccc1Cl
Cc1nnc(SCC(=O)Nc2ccccc2SCc2ccccc2Cl)n1N Clc1ccccc1CS[*:1] Cc1nnc(SCC(=O)Nc2ccccc2[*:1])n1N
Cc1nnc(SCC(=O)Nc2ccccc2SCc2ccccc2Cl)n1N Clc1ccccc1[*:1] Cc1nnc(SCC(=O)Nc2ccccc2SC[*:1])n1N
C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)[*:1]
C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cccs1 O=S1(=O)CC[C@H](C1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[*:1])c1cccs1
CC(C)Oc1ccc(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)cc1CO C1CN(CCO1)[*:1] CC(C)Oc1ccc(cc1CO)CN1CC[C@@H]([C@H](O)C1)[*:1]
CC(C)Oc1ccc(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)cc1CO CC(C)[*:1] OCc1cc(ccc1O[*:1])CN1CC[C@H]([C@H](O)C1)N1CCOCC1
CC(C)Oc1ccc(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)cc1CO CC(C)O[*:1] OCc1cc(ccc1[*:1])CN1CC[C@H]([C@H](O)C1)N1CCOCC1
CC[C@@H](C)NC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 c1cc2OCOc2cc1[*:1] CC[C@@H](C)NC(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
CC[C@@H](C)NC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 c1cc2OCOc2cc1C[*:1] CC[C@@H](C)NC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
O=C(CCCOc1cccnc1)N1CCC[C@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] O=C(CCCOc1cccnc1)N1CCC[C@@H](C1)C[*:1]
O=C(CCCOc1cccnc1)N1CCC[C@H](CN2CCOCC2)C1 c1cncc(c1)O[*:1] O=C(CCC[*:1])N1CCC[C@H](CN2CCOCC2)C1
O=C(CCCOc1cccnc1)N1CCC[C@H](CN2CCOCC2)C1 c1cncc(c1)OC[*:1] O=C(CC[*:1])N1CCC[C@H](CN2CCOCC2)C1
O=C(CCCOc1cccnc1)N1CCC[C@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] O=C(CCCOc1cccnc1)N1CCC[C@H](C1)[*:1]
O=C(CCCOc1cccnc1)N1CCC[C@H](CN2CCOCC2)C1 c1cncc(c1)[*:1] O=C(CCCO[*:1])N1CCC[C@H](CN2CCOCC2)C1
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccncc1 O=[N+]([O-])[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)c1ccncc1)[*:1]
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccncc1 c1cc(ccn1)[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)[*:1])[N+](=O)[O-]
CCN(CC)S(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1 O=C1C[C@H](CN1)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)[*:1]
CNC(=O)CC1CCN(C(=O)[C@H](C)NC(=O)CC2CCCCC2)CC1 CNC(=O)[*:1] C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)[C@H](C)NC(=O)CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] CNC(=O)CC1CCN(CC1)C(=O)[C@H](C)NC(=O)[*:1]
CNC(=O)CC1CCN(C(=O)[C@H](C)NC(=O)CC2CCCCC2)CC1 CNC(=O)C[*:1] C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)[C@H](C)NC(=O)CC2CCCCC2)CC1 C1CCC(CC1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)[C@H](C)NC(=O)C[*:1]
C[S@@](=O)c1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)CO[*:1]
C[C@H]1CN(Cc2nc(CCc3ccccc3)no2)[C@H](C)CO1 c1ccc(cc1)[*:1] C[C@H]1CN(Cc2nc(CC[*:1])no2)[C@H](C)CO1
C[C@H]1CN(Cc2nc(CCc3ccccc3)no2)[C@H](C)CO1 c1ccc(cc1)C[*:1] C[C@H]1CN(Cc2nc(C[*:1])no2)[C@H](C)CO1
CC(C)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)NC2CC2)C1 C1CC1[*:1] CC(C)c1ccccc1NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CC(C)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)NC2CC2)C1 CC(C)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CCCN(C1)C(=O)NC1CC1
Cn1cc[nH+]c1C[C@H](N)c1ccc(Br)cc1C(F)(F)F FC(F)(F)[*:1] Cn1cc[nH+]c1C[C@H](N)c1ccc(Br)cc1[*:1]
CCOCCCn1/c(=N/C(=O)c2scnc2C)[nH]c2ccccc21 CCOC[*:1] Cc1ncsc1C(=O)/N=c1\[nH]c2ccccc2n1CC[*:1]
CCOCCCn1/c(=N/C(=O)c2scnc2C)[nH]c2ccccc21 CCOCC[*:1] Cc1ncsc1C(=O)/N=c1\[nH]c2ccccc2n1C[*:1]
CCOCCCn1/c(=N/C(=O)c2scnc2C)[nH]c2ccccc21 Cc1ncsc1[*:1] CCOCCCn1/c(=N/C(=O)[*:1])[nH]c2ccccc21
CCOCCCn1/c(=N/C(=O)c2scnc2C)[nH]c2ccccc21 CCOCCC[*:1] Cc1ncsc1C(=O)/N=c1\[nH]c2ccccc2n1[*:1]
CCOCCCn1/c(=N/C(=O)c2scnc2C)[nH]c2ccccc21 CCO[*:1] Cc1ncsc1C(=O)/N=c1\[nH]c2ccccc2n1CCC[*:1]
CC(C)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)cnc2[O-])c1 FC(F)(F)[*:1] CC(C)c1cccc(c1)S(=O)(=O)Nc1cc(cnc1[O-])[*:1]
CC(C)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)cnc2[O-])c1 CC(C)[*:1] O=S(=O)(Nc1cc(cnc1[O-])C(F)(F)F)c1cccc(c1)[*:1]
COc1ccc(Br)cc1CNC(=O)CCN1CCCC1=O O=C1CCCN1C[*:1] COc1ccc(Br)cc1CNC(=O)C[*:1]
COc1ccc(Br)cc1CNC(=O)CCN1CCCC1=O O=C1CCCN1[*:1] COc1ccc(Br)cc1CNC(=O)CC[*:1]
O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)[C@H]1CCCO1 FC(F)(F)CO[*:1] O=C(Nc1cc(ccc1[*:1])S(=O)(=O)N1CCCCCC1)[C@H]1CCCO1
O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)[C@H]1CCCO1 FC(F)(F)[*:1] O=C(Nc1cc(ccc1OC[*:1])S(=O)(=O)N1CCCCCC1)[C@H]1CCCO1
O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)[C@H]1CCCO1 FC(F)(F)C[*:1] O=C(Nc1cc(ccc1O[*:1])S(=O)(=O)N1CCCCCC1)[C@H]1CCCO1
O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)[C@H]1CCCO1 O=S(=O)(N1CCCCCC1)[*:1] O=C(Nc1cc(ccc1OCC(F)(F)F)[*:1])[C@H]1CCCO1
NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2COc3ccc(F)cc3C2)C1 NC(=O)[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N1CCC[C@H](C1)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(S(N)(=O)=O)c1 c1ccc(cc1)C[*:1] CCC[C@@H](NC(=O)Nc1cccc(c1)S(N)(=O)=O)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(S(N)(=O)=O)c1 CCC[*:1] NS(=O)(=O)c1cccc(c1)NC(=O)N[C@H](Cc1ccccc1)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(S(N)(=O)=O)c1 c1ccc(cc1)[*:1] CCC[C@@H](C[*:1])NC(=O)Nc1cccc(c1)S(N)(=O)=O
CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(c1)[*:1]
CCOc1ccc(C(=O)N2CCC(O)(C(F)(F)F)CC2)cc1 CCO[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(O)(CC1)C(F)(F)F
CCOc1ccc(C(=O)N2CCC(O)(C(F)(F)F)CC2)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)C(=O)N1CCC(O)(CC1)[*:1]
O=C(NCc1csc(-c2cccs2)n1)[C@H]1CSCN1C(=O)C1CCC1 C1CC(C1)[*:1] O=C(NCc1csc(n1)-c1cccs1)[C@H]1CSCN1C(=O)[*:1]
O=C(NCc1csc(-c2cccs2)n1)[C@H]1CSCN1C(=O)C1CCC1 c1csc(c1)[*:1] O=C(NCc1csc(n1)[*:1])[C@H]1CSCN1C(=O)C1CCC1
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCO2)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc2OCCc2c1)[*:1]
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Cn2ccnc2C)cc1 Cc1nccn1C[*:1] CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Cn2ccnc2C)cc1 Cc1nccn1[*:1] CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(cc1)C[*:1]
CC(C)Cc1noc(C[NH+]2CCC(CC(=O)[O-])CC2)n1 CC(C)C[*:1] O=C([O-])CC1CC[NH+](CC1)Cc1nc(no1)[*:1]
CC(C)Cc1noc(C[NH+]2CCC(CC(=O)[O-])CC2)n1 CC(C)[*:1] O=C([O-])CC1CC[NH+](CC1)Cc1nc(C[*:1])no1
CC(C)Cc1noc(C[NH+]2CCC(CC(=O)[O-])CC2)n1 O=C([O-])[*:1] CC(C)Cc1noc(C[NH+]2CCC(CC2)C[*:1])n1
CC(C)Cc1noc(C[NH+]2CCC(CC(=O)[O-])CC2)n1 O=C([O-])C[*:1] CC(C)Cc1noc(C[NH+]2CCC(CC2)[*:1])n1
CCN(Cc1ccccn1)C(=O)[C@@H](C)c1ccc(OC)c(OC)c1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)[C@@H](C)c1ccc(OC)c(c1)OC
CCN(Cc1ccccn1)C(=O)[C@@H](C)c1ccc(OC)c(OC)c1 c1ccc(C[*:1])nc1 CCN(C(=O)[C@@H](C)c1ccc(OC)c(c1)OC)[*:1]
CC(=O)Nc1cccc(NC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1
O=C(Nc1ccccc1OCC(F)(F)F)C(=O)N[C@@H]1CCc2ccccc21 FC(F)(F)CO[*:1] O=C(Nc1ccccc1[*:1])C(=O)N[C@@H]1CCc2ccccc21
O=C(Nc1ccccc1OCC(F)(F)F)C(=O)N[C@@H]1CCc2ccccc21 FC(F)(F)[*:1] O=C(Nc1ccccc1OC[*:1])C(=O)N[C@@H]1CCc2ccccc21
O=C(Nc1ccccc1OCC(F)(F)F)C(=O)N[C@@H]1CCc2ccccc21 FC(F)(F)C[*:1] O=C(Nc1ccccc1O[*:1])C(=O)N[C@@H]1CCc2ccccc21
O=C(Nc1ccccc1OCC(F)(F)F)C(=O)N[C@@H]1CCc2ccccc21 c1ccc2c(c1)CC[C@H]2[*:1] O=C(Nc1ccccc1OCC(F)(F)F)C(=O)N[*:1]
CC[C@@H](O)CC[NH2+]Cc1nc2c(s1)CCC2 CC[C@@H](O)C[*:1] C1Cc2nc(C[NH2+]C[*:1])sc2C1
CC[C@@H](O)CC[NH2+]Cc1nc2c(s1)CCC2 CC[C@@H](O)[*:1] C1Cc2nc(C[NH2+]CC[*:1])sc2C1
C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1=O)[C@H](C)C(=O)[O-] C[C@H](C(=O)[O-])[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1=O)[*:1]
C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1=O)[C@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1=O)[C@H](C)[*:1]
Cc1cc(C(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccco2)no1 FC(F)(F)[*:1] Cc1cc(no1)C(=O)N(CC(=O)Nc1ccc(Cl)c(c1)[*:1])Cc1ccco1
Cc1cc(C(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccco2)no1 c1coc(c1)C[*:1] Cc1cc(no1)C(=O)N(CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)[*:1]
Cc1cc(C(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccco2)no1 Cc1cc(no1)[*:1] O=C(CN(Cc1ccco1)C(=O)[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
Cc1cc(C(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccco2)no1 c1coc(c1)[*:1] Cc1cc(no1)C(=O)N(CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)C[*:1]
Nc1nc(NCCNC(=O)c2ccccc2Cl)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(ncc1[*:1])NCCNC(=O)c1ccccc1Cl
Nc1nc(NCCNC(=O)c2ccccc2Cl)ncc1[N+](=O)[O-] Clc1ccccc1[*:1] Nc1nc(ncc1[N+](=O)[O-])NCCNC(=O)[*:1]
CN(C[C@@H]1CCCO1)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 C1CO[C@@H](C1)[*:1] CN(C[*:1])C(=O)NCC1(CCOCC1)c1ccc(F)cc1
CN(C[C@@H]1CCCO1)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 Fc1ccc(cc1)[*:1] CN(C[C@@H]1CCCO1)C(=O)NCC1(CCOCC1)[*:1]
C=C(CC)C[C@H](C(=O)[O-])c1ccccc1C C=C(CC)[*:1] Cc1ccccc1[C@H](C[*:1])C(=O)[O-]
C=C(CC)C[C@H](C(=O)[O-])c1ccccc1C C=C(CC)C[*:1] Cc1ccccc1[C@@H](C(=O)[O-])[*:1]
C=C(CC)C[C@H](C(=O)[O-])c1ccccc1C O=C([O-])[*:1] C=C(CC)C[C@H](c1ccccc1C)[*:1]
COc1cccc(/C=N\NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)c1 Clc1ccccc1[*:1] COc1cccc(/C=N\NC(=O)c2cccc(c2)NC(=O)[*:1])c1
COc1cccc(/C=N\NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)c1 COc1cccc(c1)[*:1] O=C(NN=C[*:1])c1cccc(c1)NC(=O)c1ccccc1Cl
CCOC(=O)CCOc1ccccc1N CCOC(=O)[*:1] Nc1ccccc1OCC[*:1]
COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)C1 COC(=O)[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)N1CC[C@H](C1)[*:1]
COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)C1 COc1ccc(cc1)[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)c1cc(C)n(n1)[*:1]
Cc1nc(-c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)C1(CC1)[*:1]
Cc1nc(-c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1ccc(cc1)[*:1])C1(CC1)c1ccccc1
O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)OCc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)OCc1cc(on1)[*:1]
COc1ccccc1/C=C/C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 O=C([O-])[*:1] COc1ccccc1/C=C/C(=O)Nc1cccc(c1)C(=O)Nc1ccccc1[*:1]
COc1ccccc1/C=C/C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 O=C([O-])c1ccccc1[*:1] COc1ccccc1/C=C/C(=O)Nc1cccc(c1)C(=O)N[*:1]
COc1ccccc1/C=C/C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 COc1ccccc1C=C[*:1] O=C(Nc1ccccc1C(=O)[O-])c1cccc(c1)NC(=O)[*:1]
COc1ccccc1/C=C/C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 COc1ccccc1[*:1] O=C(C=C[*:1])Nc1cccc(c1)C(=O)Nc1ccccc1C(=O)[O-]
CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 c1ccc(cc1)[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@H](C=1C#N)c1cccc(c1)[N+](=O)[O-])[*:1]
CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 O=[N+]([O-])[*:1] CC1NC2C[C@H](CC(=O)C=2[C@H](C=1C#N)c1cccc(c1)[*:1])c1ccccc1
CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 O=[N+]([O-])c1cccc(c1)[*:1] CC1NC2C[C@H](CC(=O)C=2[C@@H](C=1C#N)[*:1])c1ccccc1
C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1 N#CCC[*:1] C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1 N#CC[*:1] C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1]
O=C(NCC[C@H](O)c1cccc2ccccc12)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(NCC[C@H](O)c1cccc2ccccc12)[*:1]
O=C(CN1CCc2ccccc21)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] O=C(CN1CCc2ccccc21)N([C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(-c2n[nH]c(SCc3cn4cc(Cl)ccc4n3)n2)cc1 COc1ccc(cc1)[*:1] Clc1ccc2nc(cn2c1)CSc1nc(n[nH]1)[*:1]
O=C(c1cnco1)N1CC[C@@H](Cc2cccc3ncccc23)C1 c1ncc(o1)[*:1] O=C(N1CC[C@@H](Cc2cccc3ncccc23)C1)[*:1]
COC[C@H](C)NC(=O)NCC(C)(C)c1ccccc1F COC[*:1] C[C@H](NC(=O)NCC(C)(C)c1ccccc1F)[*:1]
COC[C@H](C)NC(=O)NCC(C)(C)c1ccccc1F COC[C@H](C)[*:1] CC(C)(CNC(=O)N[*:1])c1ccccc1F
CCn1nc(C(C)C)cc1C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] CCn1nc(cc1C(=O)N1CCC(CC1)OC[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)N1CCC(OCc2ccccc2F)CC1 CC(C)[*:1] CCn1nc(cc1C(=O)N1CCC(CC1)OCc1ccccc1F)[*:1]
CCn1nc(C(C)C)cc1C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] CCn1nc(cc1C(=O)N1CCC(CC1)[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] CCn1nc(cc1C(=O)N1CCC(CC1)O[*:1])C(C)C
CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)o2)cc1 CC(C)S(=O)(=O)[*:1] O=C(Nc1nnc(o1)[C@@H]1CC(=O)N(C1)c1ccccc1)c1ccc(cc1)[*:1]
CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)o2)cc1 c1ccc(cc1)[*:1] CC(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)o2)cc1 CC(C)[*:1] O=C(Nc1nnc(o1)[C@@H]1CC(=O)N(C1)c1ccccc1)c1ccc(cc1)S(=O)(=O)[*:1]
Cc1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)s1 Cc1nnc(S[*:1])s1 C[C@H](NC(=O)[C@@H](C)[*:1])c1ccc2CCCCc2c1
Cc1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)s1 Cc1nnc(s1)[*:1] C[C@H](NC(=O)[C@@H](C)S[*:1])c1ccc2CCCCc2c1
O=C(c1ccco1)N1CCC[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 c1coc(c1)[*:1] O=C(N1CCC[C@@H](C1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1)[*:1]
COC[C@@H](C)[NH+]1CCN(Cc2cc(Cl)ccc2F)CC1 COC[*:1] C[C@@H]([NH+]1CCN(CC1)Cc1cc(Cl)ccc1F)[*:1]
NC(=O)C[C@@H]1CCCN(C(=O)c2cccc(OCC(F)F)n2)C1 FC(F)C[*:1] NC(=O)C[C@@H]1CCCN(C1)C(=O)c1cccc(n1)O[*:1]
NC(=O)C[C@@H]1CCCN(C(=O)c2cccc(OCC(F)F)n2)C1 NC(=O)[*:1] O=C(c1cccc(n1)OCC(F)F)N1CCC[C@H](C1)C[*:1]
NC(=O)C[C@@H]1CCCN(C(=O)c2cccc(OCC(F)F)n2)C1 FC(F)[*:1] NC(=O)C[C@@H]1CCCN(C1)C(=O)c1cccc(n1)OC[*:1]
NC(=O)C[C@@H]1CCCN(C(=O)c2cccc(OCC(F)F)n2)C1 NC(=O)C[*:1] O=C(c1cccc(n1)OCC(F)F)N1CCC[C@H](C1)[*:1]
NC(=O)C[C@@H]1CCCN(C(=O)c2cccc(OCC(F)F)n2)C1 FC(F)CO[*:1] NC(=O)C[C@@H]1CCCN(C1)C(=O)c1cccc(n1)[*:1]
O=C(CSc1nnc2ccc(-c3cccnc3)nn12)c1cccc([N+](=O)[O-])c1 c1cncc(c1)[*:1] O=C(CSc1nnc2ccc(nn12)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(CSc1nnc2ccc(-c3cccnc3)nn12)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(CSc1nnc2ccc(nn12)-c1cccnc1)[*:1]
O=C(CSc1nnc2ccc(-c3cccnc3)nn12)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CSc1nnc2ccc(nn12)-c1cccnc1)c1cccc(c1)[*:1]
COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)cc1 C1CC1[*:1] COc1ccc(cc1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(C(=O)c2c1)C1CC1
Cc1cc(N(C)Cc2nccn2Cc2ccccc2)n2ncnc2n1 c1ccc(cc1)[*:1] Cc1cc(N(C)Cc2nccn2C[*:1])n2ncnc2n1
Cc1cc(N(C)Cc2nccn2Cc2ccccc2)n2ncnc2n1 c1ccc(cc1)C[*:1] Cc1cc(N(C)Cc2nccn2[*:1])n2ncnc2n1
CC(C)c1nn(C)cc1C[NH2+]C[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] CC(C)c1nn(C)cc1C[NH2+]C[*:1]
CC(C)c1nn(C)cc1C[NH2+]C[C@]1(C)CCCO1 CC(C)[*:1] Cn1cc(C[NH2+]C[C@]2(C)CCCO2)c(n1)[*:1]
CC(C)C(=O)CC[C@@H]1CCc2cccnc21 CC(C)[*:1] O=C(CC[C@@H]1CCc2cccnc21)[*:1]
CC(C)C(=O)CC[C@@H]1CCc2cccnc21 CC(C)C(=O)[*:1] c1cnc2c(c1)CC[C@H]2CC[*:1]
COC(=O)C1(NC(=O)[C@H]2CC(=O)N(C)C2)CCCC1 COC(=O)[*:1] CN1C[C@H](CC1=O)C(=O)NC1(CCCC1)[*:1]
CCCC[C@@H](Sc1nnc(C)n1N)C(=O)OC CCCC[*:1] COC(=O)[C@H](Sc1nnc(C)n1N)[*:1]
CCCC[C@@H](Sc1nnc(C)n1N)C(=O)OC COC(=O)[*:1] CCCC[C@@H](Sc1nnc(C)n1N)[*:1]
CCCC[C@@H](Sc1nnc(C)n1N)C(=O)OC CCC[*:1] COC(=O)[C@@H](C[*:1])Sc1nnc(C)n1N
Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(CSc1nncn1[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
CS(=O)(=O)c1cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)ccc1Cl Clc1ccc(cc1)[*:1] CS(=O)(=O)c1cc(ccc1Cl)C(=O)OCc1nnc(o1)[*:1]
CS(=O)(=O)c1cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)ccc1Cl CS(=O)(=O)[*:1] O=C(OCc1nnc(o1)-c1ccc(Cl)cc1)c1ccc(Cl)c(c1)[*:1]
O=C(CCn1ccc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] O=C(CCn1ccc2ccccc21)N1CCc2ccc(cc2C1)[*:1]
FC(F)(F)CN(Cc1cn2cc(Cl)ccc2n1)CC1CC1 FC(F)(F)C[*:1] Clc1ccc2nc(cn2c1)CN(CC1CC1)[*:1]
FC(F)(F)CN(Cc1cn2cc(Cl)ccc2n1)CC1CC1 C1CC1C[*:1] FC(F)(F)CN(Cc1cn2cc(Cl)ccc2n1)[*:1]
FC(F)(F)CN(Cc1cn2cc(Cl)ccc2n1)CC1CC1 C1CC1[*:1] FC(F)(F)CN(Cc1cn2cc(Cl)ccc2n1)C[*:1]
FC(F)(F)CN(Cc1cn2cc(Cl)ccc2n1)CC1CC1 FC(F)(F)[*:1] Clc1ccc2nc(cn2c1)CN(CC1CC1)C[*:1]
O=C(COC(=O)c1cccc(NC(=O)c2cccs2)c1)NC1CC1 O=C(N[*:1])c1cccs1 O=C(COC(=O)c1cccc(c1)[*:1])NC1CC1
O=C(COC(=O)c1cccc(NC(=O)c2cccs2)c1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(O[*:1])c1cccc(c1)NC(=O)c1cccs1
O=C(COC(=O)c1cccc(NC(=O)c2cccs2)c1)NC1CC1 C1CC1[*:1] O=C(COC(=O)c1cccc(c1)NC(=O)c1cccs1)N[*:1]
O=C(COC(=O)c1cccc(NC(=O)c2cccs2)c1)NC1CC1 c1csc(c1)[*:1] O=C(COC(=O)c1cccc(c1)NC(=O)[*:1])NC1CC1
O=C(COC(=O)c1cccc(NC(=O)c2cccs2)c1)NC1CC1 O=C(NC1CC1)[*:1] O=C(OC[*:1])c1cccc(c1)NC(=O)c1cccs1
Cc1cc(C)n(Cc2cccc(C(=O)NCc3cccc(NC(C)C)c3)c2)n1 Cc1cc(C)n(C[*:1])n1 CC(C)Nc1cccc(c1)CNC(=O)c1cccc(c1)[*:1]
Cc1cc(C)n(Cc2cccc(C(=O)NCc3cccc(NC(C)C)c3)c2)n1 Cc1cc(C)n(n1)[*:1] CC(C)Nc1cccc(c1)CNC(=O)c1cccc(c1)C[*:1]
Cc1cc(C)n(Cc2cccc(C(=O)NCc3cccc(NC(C)C)c3)c2)n1 CC(C)N[*:1] Cc1cc(C)n(Cc2cccc(c2)C(=O)NCc2cccc(c2)[*:1])n1
Cc1cc(C)n(Cc2cccc(C(=O)NCc3cccc(NC(C)C)c3)c2)n1 CC(C)[*:1] Cc1cc(C)n(Cc2cccc(c2)C(=O)NCc2cccc(c2)N[*:1])n1
CC(C)COC[C@@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1Cl CC(C)C[*:1] C[C@H](CO[*:1])NC(=O)c1cc(ccc1Cl)N1CCCC1=O
CC(C)COC[C@@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CC(C)COC[C@@H](C)NC(=O)c1cc(ccc1Cl)[*:1]
CC(C)COC[C@@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1Cl CC(C)[*:1] C[C@H](COC[*:1])NC(=O)c1cc(ccc1Cl)N1CCCC1=O
CC(C)COC[C@@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1Cl CC(C)CO[*:1] C[C@H](C[*:1])NC(=O)c1cc(ccc1Cl)N1CCCC1=O
CC(C)COC[C@@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1Cl CC(C)COC[*:1] C[C@@H](NC(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
O=C(NCc1ccco1)c1ccc2oc3ccccc3c2c1 c1coc(c1)[*:1] O=C(NC[*:1])c1ccc2oc3ccccc3c2c1
O=C(NCc1ccco1)c1ccc2oc3ccccc3c2c1 c1coc(c1)C[*:1] O=C(N[*:1])c1ccc2oc3ccccc3c2c1
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)C1/C=N/C1CC[NH+](Cc2ccccc2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C1NC(=S)N(C(=O)C1/C=N/C1CC[NH+](CC1)Cc1ccccc1)[*:1]
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)C1/C=N/C1CC[NH+](Cc2ccccc2)CC1 FC(F)(F)[*:1] O=C1NC(=S)N(C(=O)C1/C=N/C1CC[NH+](CC1)Cc1ccccc1)c1cccc(c1)[*:1]
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)C1/C=N/C1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C1NC(=S)N(C(=O)C1/C=N/C1CC[NH+](CC1)C[*:1])c1cccc(c1)C(F)(F)F
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)C1/C=N/C1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C1NC(=S)N(C(=O)C1/C=N/C1CC[NH+](CC1)[*:1])c1cccc(c1)C(F)(F)F
NS(=O)(=O)N1CCc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc21 Clc1cc(c(Cl)s1)[*:1] NS(=O)(=O)N1CCc2ccc(cc21)NC(=O)[*:1]
Cc1ccc2oc(SCCCS(C)(=O)=O)nc2c1 CS(=O)(=O)C[*:1] Cc1ccc2oc(nc2c1)SCC[*:1]
Cc1ccc2oc(SCCCS(C)(=O)=O)nc2c1 CS(=O)(=O)[*:1] Cc1ccc2oc(nc2c1)SCCC[*:1]
Cc1ccc2oc(SCCCS(C)(=O)=O)nc2c1 CS(=O)(=O)CC[*:1] Cc1ccc2oc(nc2c1)SC[*:1]
Cc1nn(C(C)C)c(C)c1-c1n[nH]cc1C[NH2+]CC(C)C CC(C)[*:1] Cc1nn(c(C)c1-c1n[nH]cc1C[NH2+]C[*:1])C(C)C
Cc1nn(C(C)C)c(C)c1-c1n[nH]cc1C[NH2+]CC(C)C CC(C)C[*:1] Cc1nn(c(C)c1-c1n[nH]cc1C[NH2+][*:1])C(C)C
Cc1nn(C(C)C)c(C)c1-c1n[nH]cc1C[NH2+]CC(C)C CC(C)[*:1] Cc1nn(c(C)c1-c1n[nH]cc1C[NH2+]CC(C)C)[*:1]
CN(C(=O)c1ccc(-c2ccncc2)[nH]c1=O)c1ccccc1F Fc1ccccc1[*:1] CN(C(=O)c1ccc([nH]c1=O)-c1ccncc1)[*:1]
CN(C(=O)c1ccc(-c2ccncc2)[nH]c1=O)c1ccccc1F c1cc(ccn1)[*:1] CN(C(=O)c1ccc([nH]c1=O)[*:1])c1ccccc1F
Cc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)OCc1nc(cs1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1csc(CO[*:1])n1
Cc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)O[*:1] Cc1ccc(cc1)NC(=O)c1csc(C[*:1])n1
Cc1c(C(=O)N2CCCN(C(=O)C3CCC3)CC2)nc2cccc(Cl)n12 C1CC(C1)[*:1] Cc1c(nc2cccc(Cl)n12)C(=O)N1CCCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)NNc1ccccc1 O=C(N1CCOCC1)[*:1] Cc1cc(ccc1NC(=O)NNc1ccccc1)[*:1]
Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)NNc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)NN[*:1])C(=O)N1CCOCC1
C[C@@H]1C[C@H]1N1C[C@H](NC(=O)Cc2cccc(O)c2)CC1=O Oc1cccc(c1)[*:1] C[C@@H]1C[C@H]1N1C[C@@H](CC1=O)NC(=O)C[*:1]
C[C@@H]1C[C@H]1N1C[C@H](NC(=O)Cc2cccc(O)c2)CC1=O C[C@@H]1C[C@@H]1[*:1] O=C(Cc1cccc(O)c1)N[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)c1csc(NC(=O)c2cnc([C@H]3CCCO3)s2)c1 COC(=O)[*:1] O=C(Nc1cc(cs1)[*:1])c1cnc(s1)[C@H]1CCCO1
COC(=O)c1csc(NC(=O)c2cnc([C@H]3CCCO3)s2)c1 C1CO[C@H](C1)[*:1] COC(=O)c1csc(c1)NC(=O)c1cnc(s1)[*:1]
C[C@@H](O)[C@@H](C)Sc1cc2ccccc2[nH]1 C[C@@H](O)[*:1] C[C@@H](Sc1cc2ccccc2[nH]1)[*:1]
COC(=O)c1cc(C)sc1NC(=O)N1CCCC1 COC(=O)[*:1] Cc1cc(c(NC(=O)N2CCCC2)s1)[*:1]
CC[C@@](C)(NC(=O)CSCc1cccs1)C(=O)[O-] c1csc(c1)[*:1] CC[C@@](C)(NC(=O)CSC[*:1])C(=O)[O-]
CC[C@@](C)(NC(=O)CSCc1cccs1)C(=O)[O-] c1csc(c1)C[*:1] CC[C@@](C)(NC(=O)CS[*:1])C(=O)[O-]
CC[C@@](C)(NC(=O)CSCc1cccs1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)CSCc1cccs1)[*:1]
CCOc1cc(Cl)c(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] CCOc1cc(Cl)c(cc1Cl)S(=O)(=O)N[C@@H](C)[*:1]
CCOc1cc(Cl)c(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl CCO[*:1] C[C@H](NS(=O)(=O)c1cc(Cl)c(cc1Cl)[*:1])c1ccccc1
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cccc2ccccc12 O=[N+]([O-])[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@@H]1c1cccc2ccccc12
COC[C@H](C)N1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 COC[C@H](C)[*:1] O=C(c1cnc(s1)-c1ccccc1)N1CCN(CC1)[*:1]
COC[C@H](C)N1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 COC[*:1] C[C@H](N1CCN(CC1)C(=O)c1cnc(s1)-c1ccccc1)[*:1]
COC[C@H](C)N1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 c1ccc(cc1)[*:1] COC[C@H](C)N1CCN(CC1)C(=O)c1cnc(s1)[*:1]
CC[C@@H](NC(=O)c1cccn(Cc2cccc(C)c2)c1=O)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)c1cccn(Cc2cccc(C)c2)c1=O)[*:1]
CC[C@@H](NC(=O)c1cccn(Cc2cccc(C)c2)c1=O)C(=O)OC CC[C@@H](C(=O)OC)[*:1] Cc1cccc(c1)Cn1cccc(C(=O)N[*:1])c1=O
CC[C@@H](NC(=O)c1cccn(Cc2cccc(C)c2)c1=O)C(=O)OC Cc1cccc(c1)C[*:1] CC[C@@H](NC(=O)c1cccn(c1=O)[*:1])C(=O)OC
CC[C@@H](NC(=O)c1cccn(Cc2cccc(C)c2)c1=O)C(=O)OC Cc1cccc(c1)[*:1] CC[C@@H](NC(=O)c1cccn(C[*:1])c1=O)C(=O)OC
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2C)C(C#N)=C(N)O1 CCOC(=O)[*:1] CCCC1OC(N)=C(C#N)[C@H](C=1[*:1])c1ccccc1C
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2C)C(C#N)=C(N)O1 Cc1ccccc1[*:1] CCCC1OC(N)=C(C#N)[C@@H](C=1C(=O)OCC)[*:1]
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2C)C(C#N)=C(N)O1 CCC[*:1] CCOC(=O)C1=C(OC(N)=C(C#N)[C@H]1c1ccccc1C)[*:1]
c1ccc(-c2cc(CN(Cc3cccnc3)C[C@H]3CCCO3)on2)cc1 c1cncc(c1)C[*:1] c1ccc(cc1)-c1cc(CN(C[C@H]2CCCO2)[*:1])on1
c1ccc(-c2cc(CN(Cc3cccnc3)C[C@H]3CCCO3)on2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)CN(Cc1cc(no1)[*:1])C[C@H]1CCCO1
c1ccc(-c2cc(CN(Cc3cccnc3)C[C@H]3CCCO3)on2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)-c1cc(CN(C[C@H]2CCCO2)C[*:1])on1
CC[C@H](C)c1c(C)nn(C(=O)c2ccc(Cl)cc2)c1C CC[C@H](C)[*:1] Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1[*:1]
CC(C)[C@@H](CO)NC(=O)c1c(N)cnn1C CC(C)[*:1] Cn1ncc(N)c1C(=O)N[C@H](CO)[*:1]
CCNC(=O)NNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] CCNC(=O)NNC(=O)c1c(C)nn(c1C)[*:1]
CC[C@@](C)(NC(=O)CCc1ccccc1Cl)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)CCc1ccccc1Cl)[*:1]
C[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)[C@H](O)C[*:1])c1cccc(c1)[N+](=O)[O-]
C[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1cccc(c1)[*:1]
C[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] C[C@H]([NH2+][C@H](C)[C@H](O)[*:1])c1cccc(c1)[N+](=O)[O-]
COC(=O)c1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1F COC(=O)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])c1cccc(c1)-c1ccoc1
COC(=O)c1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1F c1cc(co1)[*:1] COC(=O)c1ccc(cc1F)NC(=O)c1cccc(c1)[*:1]
CCCCN(C(=O)c1cccc2[nH]ccc12)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCCN(C(=O)c1cccc2[nH]ccc12)[*:1]
CCCCN(C(=O)c1cccc2[nH]ccc12)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(c1cccc2[nH]ccc12)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)c1cccc2[nH]ccc12)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(c1cccc2[nH]ccc12)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCOc1ncccc1C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 CCO[*:1] CC[C@@]1(CCCN(C1)C(=O)c1cccnc1[*:1])C(=O)[O-]
CCOc1ncccc1C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 O=C([O-])[*:1] CCOc1ncccc1C(=O)N1CCC[C@](CC)(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)N3CCN(c4c(C)nn(-c5ccccn5)c4C)CC3)CC2=O)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)c1c(C)nn(c1C)[*:1]
Cc1ccc(N2C[C@H](C(=O)N3CCN(c4c(C)nn(-c5ccccn5)c4C)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1nn(-c2ccccn2)c(C)c1N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
c1ccc([C@H](Nc2nc3ccccc3s2)n2nnc3ccccc32)cc1 c1ccc(cc1)[*:1] c1ccc2sc(nc2c1)N[C@H](n1nnc2ccccc21)[*:1]
COCCN1CCC[C@](O)(CN2CCN(c3[nH+]cccc3C)CC2)C1=O COCC[*:1] Cc1ccc[nH+]c1N1CCN(CC1)C[C@@]1(O)CCCN(C1=O)[*:1]
COCCN1CCC[C@](O)(CN2CCN(c3[nH+]cccc3C)CC2)C1=O COC[*:1] Cc1ccc[nH+]c1N1CCN(CC1)C[C@@]1(O)CCCN(C[*:1])C1=O
O=C(Nc1ccc(OCCc2ccccc2)nc1)C(=O)N[C@@H]1CC=CCC1 c1ccc(cc1)CCO[*:1] O=C(Nc1ccc(nc1)[*:1])C(=O)N[C@@H]1CC=CCC1
O=C(Nc1ccc(OCCc2ccccc2)nc1)C(=O)N[C@@H]1CC=CCC1 c1ccc(cc1)CC[*:1] O=C(Nc1ccc(nc1)O[*:1])C(=O)N[C@@H]1CC=CCC1
O=C(Nc1ccc(OCCc2ccccc2)nc1)C(=O)N[C@@H]1CC=CCC1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(nc1)OC[*:1])C(=O)N[C@@H]1CC=CCC1
O=C(Nc1ccc(OCCc2ccccc2)nc1)C(=O)N[C@@H]1CC=CCC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)OCC[*:1])C(=O)N[C@@H]1CC=CCC1
COC(=O)[C@]1(F)CCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 COC(=O)[*:1] O=C(COc1ccc(cc1)C(F)(F)F)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 FC(F)(F)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)COc1ccc(cc1)[*:1]
CC[C@H](NC(=O)NC)c1ccc(OC)cc1 CNC(=O)N[*:1] CC[C@H](c1ccc(cc1)OC)[*:1]
C[C@@H](OC(=O)c1cccnc1)C(=O)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cccnc1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](OC(=O)c1cccnc1)C(=O)Nc1ccc(-c2ccccc2)cc1 c1cncc(c1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1ccc(cc1)-c1ccccc1
O=C1CCCN1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C1CCCN1c1ccc(cc1)[*:1]
CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCc3cccc(C)n3)c21 Cc1cccc(CNC(=O)[*:1])n1 CCn1c(nc2cc(cc(c21)[*:1])NC(C)=O)-c1cccc(c1)OC
CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCc3cccc(C)n3)c21 Cc1cccc(C[*:1])n1 CCn1c(nc2cc(cc(C(=O)N[*:1])c21)NC(C)=O)-c1cccc(c1)OC
CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCc3cccc(C)n3)c21 CC(=O)N[*:1] CCn1c(nc2cc(cc(C(=O)NCc3cccc(C)n3)c21)[*:1])-c1cccc(c1)OC
CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCc3cccc(C)n3)c21 Cc1cccc(n1)[*:1] CCn1c(nc2cc(cc(C(=O)NC[*:1])c21)NC(C)=O)-c1cccc(c1)OC
CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCc3cccc(C)n3)c21 COc1cccc(c1)[*:1] CCn1c(nc2cc(cc(C(=O)NCc3cccc(C)n3)c21)NC(C)=O)[*:1]
O=C(Cc1ccc(Cl)c(Cl)c1)NC1COC1 C1OCC1[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)N[*:1]
Cc1cccc(OC[C@H](C)NC(=O)NCc2ncn(C)n2)c1 Cn1cnc(C[*:1])n1 Cc1cccc(c1)OC[C@H](C)NC(=O)N[*:1]
Cc1cccc(OC[C@H](C)NC(=O)NCc2ncn(C)n2)c1 Cn1cnc(n1)[*:1] Cc1cccc(c1)OC[C@H](C)NC(=O)NC[*:1]
Cc1cccc(OC[C@H](C)NC(=O)NCc2ncn(C)n2)c1 Cc1cccc(c1)[*:1] C[C@@H](CO[*:1])NC(=O)NCc1ncn(C)n1
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O c1ccc(cc1)[*:1] C[C@H](C(=O)Nc1ccc2OCOc2c1)N(c1ccc(cc1)O[*:1])S(C)(=O)=O
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O c1cc2OCOc2cc1[*:1] C[C@H](C(=O)N[*:1])N(c1ccc(cc1)Oc1ccccc1)S(C)(=O)=O
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O c1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1ccc2OCOc2c1)N(c1ccc(cc1)[*:1])S(C)(=O)=O
C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(cc1)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)c2cccc4ccccc24)CS(=O)(=O)C3)c(C)c1 c1ccc2c(cccc2c1)[*:1] Cc1ccc(c(C)c1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)c2cccc4ccccc24)CS(=O)(=O)C3)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1[*:1])c1cccc2ccccc12
CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 FC(F)(F)[*:1] CCOC(=O)C1=C(NC(=O)C[C@@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 CCOC(=O)[*:1] O=C1C[C@@H](C(=C(N1)C(F)(F)F)[*:1])c1ccc(cc1)[N+](=O)[O-]
CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCOC(=O)C1=C(NC(=O)C[C@@H]1c1ccc(cc1)[*:1])C(F)(F)F
COC(=O)[C@@H](C)O/N=C1\C=C[C@@](C)(C(Cl)(Cl)Cl)C=C1C ClC(Cl)(Cl)[*:1] COC(=O)[C@@H](C)O/N=C1\C=C[C@@](C)(C=C1C)[*:1]
COC(=O)[C@@H](C)O/N=C1\C=C[C@@](C)(C(Cl)(Cl)Cl)C=C1C COC(=O)[*:1] CC1=C[C@@](C)(C=C/C1=N\O[C@H](C)[*:1])C(Cl)(Cl)Cl
COC(=O)[C@@H](C)O/N=C1\C=C[C@@](C)(C(Cl)(Cl)Cl)C=C1C COC(=O)[C@@H](C)[*:1] CC1=C[C@@](C)(C=C/C1=N\O[*:1])C(Cl)(Cl)Cl
COc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC Cc1cc(ccc1[N+](=O)[O-])[*:1] COc1ccc(cc1OC)-c1noc(CN(C)C(=O)[*:1])n1
COc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N(C)Cc1nc(no1)[*:1]
COc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)-c1noc(CN(C)C(=O)c2ccc(c(C)c2)[*:1])n1
Cc1ncc(C(=O)NCCCc2scnc2C)c(C)n1 Cc1ncsc1[*:1] Cc1ncc(C(=O)NCCC[*:1])c(C)n1
O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cc([N+](=O)[O-])cs1 O=[N+]([O-])c1csc(c1)[*:1] O=C(COc1ccc2ccccc2c1Br)NN=C[*:1]
O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cc([N+](=O)[O-])cs1 O=[N+]([O-])[*:1] O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cc(cs1)[*:1]
C[C@H]1CN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 FC(F)(F)O[*:1] C[C@H]1CN(CC(=O)NCCc2ccc(cc2)[*:1])C[C@@H](C)O1
C[C@H]1CN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@H]1CN(CC(=O)NCCc2ccc(cc2)O[*:1])C[C@@H](C)O1
CCOc1ccc2nc(NC(=O)CSc3nnc(-c4ccccc4C)o3)sc2c1 CCO[*:1] Cc1ccccc1-c1nnc(o1)SCC(=O)Nc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(NC(=O)CSc3nnc(-c4ccccc4C)o3)sc2c1 Cc1ccccc1[*:1] CCOc1ccc2nc(NC(=O)CSc3nnc(o3)[*:1])sc2c1
CSC[C@H](C)NC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 CSC[C@H](C)[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)N[*:1]
CSC[C@H](C)NC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 CSC[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)N[C@@H](C)[*:1]
CSC[C@H](C)NC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CSC[C@H](C)NC(=O)N1C[C@H](C)O[C@H](C1)[*:1]
CCCc1cc(NC(=O)c2ccc(OCC3CC3)cc2)n(C)n1 C1CC1CO[*:1] CCCc1cc(NC(=O)c2ccc(cc2)[*:1])n(C)n1
CCCc1cc(NC(=O)c2ccc(OCC3CC3)cc2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)c1ccc(cc1)OCC1CC1)[*:1]
CCCc1cc(NC(=O)c2ccc(OCC3CC3)cc2)n(C)n1 C1CC1C[*:1] CCCc1cc(NC(=O)c2ccc(cc2)O[*:1])n(C)n1
CCCc1cc(NC(=O)c2ccc(OCC3CC3)cc2)n(C)n1 C1CC1[*:1] CCCc1cc(NC(=O)c2ccc(cc2)OC[*:1])n(C)n1
COC(=O)[C@H]1C([O-])=NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@H]1C(C#N)=C(N=C([O-])[C@@H]1[*:1])SCC(=O)Nc1ccc2ccccc2c1
COC(=O)[C@H]1C([O-])=NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H]1C([O-])=NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@H]1[*:1]
COC(=O)[C@H]1C([O-])=NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(C)cc1 c1ccc2cc(ccc2c1)[*:1] COC(=O)[C@H]1C([O-])=NC(SCC(=O)N[*:1])=C(C#N)[C@@H]1c1ccc(C)cc1
CC[C@@H](COC)Nc1ccc(S(N)(=O)=O)c(N)c1 NS(=O)(=O)[*:1] CC[C@@H](COC)Nc1ccc(c(N)c1)[*:1]
CC[C@@H](COC)Nc1ccc(S(N)(=O)=O)c(N)c1 CC[C@@H](COC)[*:1] Nc1cc(ccc1S(N)(=O)=O)N[*:1]
CC[C@@H](COC)Nc1ccc(S(N)(=O)=O)c(N)c1 COC[*:1] CC[C@@H](Nc1ccc(c(N)c1)S(N)(=O)=O)[*:1]
C[NH2+]C[C@@H](CCC(C)(C)C)c1cccc(F)c1 CC(C)(C)C[*:1] C[NH2+]C[C@@H](C[*:1])c1cccc(F)c1
C[NH2+]C[C@@H](CCC(C)(C)C)c1cccc(F)c1 CC(C)(C)[*:1] C[NH2+]C[C@@H](CC[*:1])c1cccc(F)c1
C[C@@H](Sc1nncs1)C(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] C[C@@H](Sc1nncs1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Sc1nncs1)C(=O)Nc1ccc(Oc2ccccc2)cc1 c1nnc(s1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(cc1)Oc1ccccc1
C[C@@H](Sc1nncs1)C(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nncs1)C(=O)Nc1ccc(cc1)O[*:1]
C[C@@H](Sc1nncs1)C(=O)Nc1ccc(Oc2ccccc2)cc1 c1nnc(S[*:1])s1 C[C@@H](C(=O)Nc1ccc(cc1)Oc1ccccc1)[*:1]
CCn1nnc2c(N3CCN(S(=O)(=O)c4ccccc4)CC3)ncnc21 c1ccc(cc1)[*:1] CCn1nnc2c(ncnc21)N1CCN(CC1)S(=O)(=O)[*:1]
COCCOc1ccccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 COCCO[*:1] N#Cc1cnn(-c2ccc(cc2)C(=O)Nc2ccccc2[*:1])c1N
COCCOc1ccccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 N#Cc1cnn(c1N)[*:1] COCCOc1ccccc1NC(=O)c1ccc(cc1)[*:1]
COCCOc1ccccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 COC[*:1] N#Cc1cnn(-c2ccc(cc2)C(=O)Nc2ccccc2OC[*:1])c1N
COCCOc1ccccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 COCC[*:1] N#Cc1cnn(-c2ccc(cc2)C(=O)Nc2ccccc2O[*:1])c1N
C[C@@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(cc1)[*:1]
CC1=C(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)C(=O)OC1(C)C CC(C)O[*:1] CC1=C(C(=O)N[C@@H](C)c2cccc(c2)[*:1])C(=O)OC1(C)C
CC1=C(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)C(=O)OC1(C)C CC(C)[*:1] CC1=C(C(=O)N[C@@H](C)c2cccc(c2)O[*:1])C(=O)OC1(C)C
O=C(NCC1CC1)C1([NH2+]Cc2cnn(-c3ccccc3)c2)CCCC1 C1CC1[*:1] O=C(NC[*:1])C1(CCCC1)[NH2+]Cc1cnn(c1)-c1ccccc1
O=C(NCC1CC1)C1([NH2+]Cc2cnn(-c3ccccc3)c2)CCCC1 c1ccc(cc1)[*:1] O=C(NCC1CC1)C1(CCCC1)[NH2+]Cc1cnn(c1)[*:1]
O=C(NCC1CC1)C1([NH2+]Cc2cnn(-c3ccccc3)c2)CCCC1 C1CC1C[*:1] O=C(N[*:1])C1(CCCC1)[NH2+]Cc1cnn(c1)-c1ccccc1
O=C(NCC1CC1)C1([NH2+]Cc2cnn(-c3ccccc3)c2)CCCC1 O=C(NCC1CC1)[*:1] c1ccc(cc1)-n1cc(cn1)C[NH2+]C1(CCCC1)[*:1]
O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]12)c1cnccn1 c1cnc(cn1)[*:1] O=C1Nc2ccc(cc2C(=O)N2CC[C@H](NC(=O)[*:1])[C@@H]12)-c1ccccc1F
O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]12)c1cnccn1 O=C(N[*:1])c1cnccn1 O=C1Nc2ccc(cc2C(=O)N2CC[C@@H]([C@@H]12)[*:1])-c1ccccc1F
O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]12)c1cnccn1 Fc1ccccc1[*:1] O=C(N[C@H]1CCN2C(=O)c3cc(ccc3NC(=O)[C@H]12)[*:1])c1cnccn1
C[C@@H](C[NH2+]C1CC1)[C@@H](C)n1nnc2ccccc21 C1CC1[*:1] C[C@@H](C[NH2+][*:1])[C@@H](C)n1nnc2ccccc21
COC(=O)Cn1/c(=N/C(=O)c2cccc(SC)c2)sc2cc(OC)c(OC)cc21 COC(=O)C[*:1] COc1cc2s/c(=N\C(=O)c3cccc(c3)SC)n(c2cc1OC)[*:1]
COC(=O)Cn1/c(=N/C(=O)c2cccc(SC)c2)sc2cc(OC)c(OC)cc21 COC(=O)[*:1] COc1cc2s/c(=N\C(=O)c3cccc(c3)SC)n(C[*:1])c2cc1OC
COC(=O)Cn1/c(=N/C(=O)c2cccc(SC)c2)sc2cc(OC)c(OC)cc21 CSc1cccc(c1)[*:1] COC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc(OC)c(cc21)OC
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Cl)c1O c1ccc(cc1)CC[*:1] CCOc1cc(/C=C(\C#N)C(=O)N[*:1])cc(Cl)c1O
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Cl)c1O c1ccc(cc1)[*:1] CCOc1cc(/C=C(\C#N)C(=O)NCC[*:1])cc(Cl)c1O
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Cl)c1O CCO[*:1] N#C/C(=C\c1cc(Cl)c(O)c(c1)[*:1])C(=O)NCCc1ccccc1
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Cl)c1O c1ccc(cc1)C[*:1] CCOc1cc(/C=C(\C#N)C(=O)NC[*:1])cc(Cl)c1O
COc1ccc2c(c1)=C[C@@H](C(=O)NC1CC1)[NH+]=2 C1CC1[*:1] COc1ccc2=[NH+][C@@H](C=c2c1)C(=O)N[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1 O=C(c1ccccc1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1 NC(=O)[*:1] O=C(CCC(=O)N1Cc2ccccc2C[C@H]1[*:1])c1ccccc1
COc1cc(S(=O)(=O)NC(C)C)ccc1Cl CC(C)[*:1] COc1cc(ccc1Cl)S(=O)(=O)N[*:1]
C#CCOc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 C#CC[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
C#CCOc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 C#CCO[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
CC(C)(CNC(=O)Nc1cnn(-c2ccccc2F)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)Nc1cnn(c1)-c1ccccc1F)[*:1]
CC(C)(CNC(=O)Nc1cnn(-c2ccccc2F)c1)N1CCOCC1 Fc1ccccc1[*:1] CC(C)(CNC(=O)Nc1cnn(c1)[*:1])N1CCOCC1
O=c1oc2ccccc2n1Cc1noc(-c2ccc(Br)o2)n1 Brc1ccc(o1)[*:1] O=c1oc2ccccc2n1Cc1noc(n1)[*:1]
CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
O=C1CN(C(=O)Cc2ccc(F)cc2)[C@H](c2ccccc2)c2cc(F)ccc2N1 c1ccc(cc1)[*:1] O=C1CN(C(=O)Cc2ccc(F)cc2)[C@H](c2cc(F)ccc2N1)[*:1]
O=C1CN(C(=O)Cc2ccc(F)cc2)[C@H](c2ccccc2)c2cc(F)ccc2N1 Fc1ccc(cc1)C[*:1] O=C1CN(C(=O)[*:1])[C@H](c2ccccc2)c2cc(F)ccc2N1
O=C1CN(C(=O)Cc2ccc(F)cc2)[C@H](c2ccccc2)c2cc(F)ccc2N1 Fc1ccc(cc1)[*:1] O=C1CN(C(=O)C[*:1])[C@H](c2ccccc2)c2cc(F)ccc2N1
O=C(Nc1ccn(CC(F)(F)F)n1)c1cnc([C@@H]2CCCO2)s1 FC(F)(F)[*:1] O=C(Nc1ccn(C[*:1])n1)c1cnc(s1)[C@@H]1CCCO1
O=C(Nc1ccn(CC(F)(F)F)n1)c1cnc([C@@H]2CCCO2)s1 FC(F)(F)C[*:1] O=C(Nc1ccn(n1)[*:1])c1cnc(s1)[C@@H]1CCCO1
O=C(Nc1ccn(CC(F)(F)F)n1)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] O=C(Nc1ccn(CC(F)(F)F)n1)c1cnc(s1)[*:1]
O=C(/C=C/c1ccnn1C1CCCC1)c1cccc(O)c1 Oc1cccc(c1)[*:1] O=C(/C=C/c1ccnn1C1CCCC1)[*:1]
O=C(/C=C/c1ccnn1C1CCCC1)c1cccc(O)c1 C1CCC(C1)[*:1] O=C(/C=C/c1ccnn1[*:1])c1cccc(O)c1
O=C(NNC(=O)c1cccc2cn[nH]c12)c1ccc(CSc2nc3ccccc3[nH]2)cc1 c1ccc2[nH]c(nc2c1)S[*:1] O=C(NNC(=O)c1cccc2cn[nH]c12)c1ccc(cc1)C[*:1]
O=C(NNC(=O)c1cccc2cn[nH]c12)c1ccc(CSc2nc3ccccc3[nH]2)cc1 c1cc(c2[nH]ncc2c1)[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)CSc1nc2ccccc2[nH]1
O=C(NNC(=O)c1cccc2cn[nH]c12)c1ccc(CSc2nc3ccccc3[nH]2)cc1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NNC(=O)c1cccc2cn[nH]c12)c1ccc(cc1)CS[*:1]
C#CCn1/c(=N/S(=O)(=O)c2ccc(Cl)cc2)sc2cc(S(C)(=O)=O)ccc21 C#CC[*:1] CS(=O)(=O)c1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccc(Cl)cc1)n2[*:1]
C#CCn1/c(=N/S(=O)(=O)c2ccc(Cl)cc2)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] C#CCn1/c(=N/S(=O)(=O)c2ccc(Cl)cc2)sc2cc(ccc21)[*:1]
C#CCn1/c(=N/S(=O)(=O)c2ccc(Cl)cc2)sc2cc(S(C)(=O)=O)ccc21 Clc1ccc(cc1)[*:1] C#CCn1/c(=N/S(=O)(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
CN1C(=O)C[C@H](Nc2ccc3cc(C#N)ccc3n2)[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1C(=O)C[C@H](Nc2ccc3cc(C#N)ccc3n2)[C@@H]1[*:1]
CN(Cc1ccc(C#N)cc1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(Cc1ccc(C#N)cc1)c1ccccc1[*:1]
Cc1c(C(=O)O[C@H](c2ccccc2)c2ccncc2)cnn1C(C)C c1cc(ccn1)[*:1] Cc1c(cnn1C(C)C)C(=O)O[C@H](c1ccccc1)[*:1]
Cc1c(C(=O)O[C@H](c2ccccc2)c2ccncc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)O[C@H](c1ccccc1)c1ccncc1
Cc1c(C(=O)O[C@H](c2ccccc2)c2ccncc2)cnn1C(C)C c1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)O[C@H](c1ccncc1)[*:1]
Cc1cc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2cccc(C(F)(F)F)c2)no1 Cc1cc(no1)NC(=O)C[*:1] O=c1c2[nH]c3ccccc3c2nc(S[*:1])n1-c1cccc(c1)C(F)(F)F
Cc1cc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2cccc(C(F)(F)F)c2)no1 Cc1cc(no1)NC(=O)CS[*:1] O=c1c2[nH]c3ccccc3c2nc(n1-c1cccc(c1)C(F)(F)F)[*:1]
Cc1cc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] Cc1cc(no1)NC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(c1)[*:1]
Cc1cc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2cccc(C(F)(F)F)c2)no1 Cc1cc(no1)[*:1] O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(c1)C(F)(F)F)N[*:1]
Cc1cc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2cccc(C(F)(F)F)c2)no1 Cc1cc(no1)NC(=O)[*:1] O=c1c2[nH]c3ccccc3c2nc(SC[*:1])n1-c1cccc(c1)C(F)(F)F
Cc1cc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2cccc(C(F)(F)F)c2)no1 FC(F)(F)c1cccc(c1)[*:1] Cc1cc(no1)NC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1[*:1]
C[C@H](Cc1ccc(Cl)cc1)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 Clc1ccc(cc1)C[*:1] C[C@H](NCc1cccc(c1)NC(=O)[C@H]1CCCO1)[*:1]
C[C@H](Cc1ccc(Cl)cc1)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 Clc1ccc(cc1)[*:1] C[C@H](C[*:1])NCc1cccc(c1)NC(=O)[C@H]1CCCO1
C[C@H](Cc1ccc(Cl)cc1)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 O=C(N[*:1])[C@H]1CCCO1 C[C@H](Cc1ccc(Cl)cc1)NCc1cccc(c1)[*:1]
C[C@H](Cc1ccc(Cl)cc1)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] C[C@H](Cc1ccc(Cl)cc1)NCc1cccc(c1)NC(=O)[*:1]
COC(=O)c1cccc(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 COC(=O)[*:1] N#Cc1ccc(cc1C(F)(F)F)NC(=O)Cc1cccc(c1)[*:1]
COC(=O)c1cccc(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 FC(F)(F)[*:1] COC(=O)c1cccc(c1)CC(=O)Nc1ccc(C#N)c(c1)[*:1]
Cc1nnc(Sc2ccc(F)cc2[N+](=O)[O-])n1N O=[N+]([O-])[*:1] Cc1nnc(Sc2ccc(F)cc2[*:1])n1N
COc1ccc(-c2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c(OC)c1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(-c2nnc(NC(=O)[*:1])s2)c(c1)OC
COc1ccc(-c2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(-c2nnc(NC(=O)c3ccccc3[*:1])s2)c(c1)OC
CCc1cccc(NC(=S)N2CCCN(Cc3ccc(F)cc3)C2)c1 Fc1ccc(cc1)C[*:1] CCc1cccc(c1)NC(=S)N1CCCN(C1)[*:1]
CCc1cccc(NC(=S)N2CCCN(Cc3ccc(F)cc3)C2)c1 CCc1cccc(c1)[*:1] Fc1ccc(cc1)CN1CCCN(C1)C(=S)N[*:1]
CCc1cccc(NC(=S)N2CCCN(Cc3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] CCc1cccc(c1)NC(=S)N1CCCN(C1)C[*:1]
Cc1cnc(C(C)(C)NC(=O)c2ccc(NC(=O)C3CC3)cc2)s1 C1CC1[*:1] Cc1cnc(s1)C(C)(C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1cnc(C(C)(C)NC(=O)c2ccc(NC(=O)C3CC3)cc2)s1 O=C(N[*:1])C1CC1 Cc1cnc(s1)C(C)(C)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1C c1cnn(c1)[*:1] Cc1ccc(cc1C)C(=O)Nc1cccc(c1)NC(=O)[C@H](C)[*:1]
Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](C(=O)Nc1cccc(c1)NC(=O)[*:1])n1cccn1
CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 CCc1noc(C)c1[*:1] O=C(N1CCC[C@@H]1c1nc2ccccc2s1)[*:1]
C=CCNC(=O)c1coc(NC(=O)c2ccco2)n1 C=CC[*:1] O=C(N[*:1])c1coc(n1)NC(=O)c1ccco1
C=CCNC(=O)c1coc(NC(=O)c2ccco2)n1 C=CCNC(=O)[*:1] O=C(Nc1nc(co1)[*:1])c1ccco1
C=CCNC(=O)c1coc(NC(=O)c2ccco2)n1 c1coc(c1)[*:1] C=CCNC(=O)c1coc(n1)NC(=O)[*:1]
CC(C)(C)c1ccc(C2(C(=O)N3CCNC(=O)C3)CC2)cc1 CC(C)(C)[*:1] O=C1CN(CCN1)C(=O)C1(CC1)c1ccc(cc1)[*:1]
COCCN(Cc1cccnc1)C(=O)Cc1c[nH]c2ccccc12 c1cncc(c1)C[*:1] COCCN(C(=O)Cc1c[nH]c2ccccc12)[*:1]
COCCN(Cc1cccnc1)C(=O)Cc1c[nH]c2ccccc12 COC[*:1] O=C(Cc1c[nH]c2ccccc12)N(Cc1cccnc1)C[*:1]
COCCN(Cc1cccnc1)C(=O)Cc1c[nH]c2ccccc12 c1cncc(c1)[*:1] COCCN(C[*:1])C(=O)Cc1c[nH]c2ccccc12
COCCN(Cc1cccnc1)C(=O)Cc1c[nH]c2ccccc12 COCC[*:1] O=C(Cc1c[nH]c2ccccc12)N(Cc1cccnc1)[*:1]
CCOC(=O)c1nc(Cn2nc(-c3ccc(C)cc3)ccc2=O)no1 Cc1ccc(cc1)[*:1] CCOC(=O)c1nc(Cn2nc(ccc2=O)[*:1])no1
CCOC(=O)c1nc(Cn2nc(-c3ccc(C)cc3)ccc2=O)no1 CCOC(=O)[*:1] Cc1ccc(cc1)-c1ccc(=O)n(Cc2noc(n2)[*:1])n1
CCCCN(C)C(=O)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1 CCC[*:1] CN(C[*:1])C(=O)C1CCN(CC1)C(=O)Nc1cccc(C#N)c1
CCCCN(C)C(=O)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1 CCCC[*:1] CN(C(=O)C1CCN(CC1)C(=O)Nc1cccc(C#N)c1)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1 CCCCN(C)C(=O)[*:1] N#Cc1cccc(c1)NC(=O)N1CCC(CC1)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1 N#Cc1cccc(c1)[*:1] CCCCN(C)C(=O)C1CCN(CC1)C(=O)N[*:1]
Cc1ccnc(NNC(=O)CCc2ncc(-c3ccccc3F)o2)c1 Fc1ccccc1[*:1] Cc1ccnc(c1)NNC(=O)CCc1ncc(o1)[*:1]
Cc1ccnc(NNC(=O)CCc2ncc(-c3ccccc3F)o2)c1 Cc1ccnc(c1)[*:1] O=C(CCc1ncc(o1)-c1ccccc1F)NN[*:1]
Cc1cc(=O)c(C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(C(=O)NCC(=O)Nc2cccc3c2CCCC3)cc1 Cc1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])Nc1cccc2CCCCc21
CN(C)c1ncc(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cn1 CC(C)(C)NC(=O)[*:1] CN(C)c1ncc(cn1)CN1Cc2ccccc2C[C@@H]1[*:1]
CN(C)c1ncc(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cn1 CN(C)[*:1] CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cnc(nc1)[*:1]
CN(C)c1ncc(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cn1 CN(C)c1ncc(cn1)[*:1] CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C[*:1]
CN(C)c1ncc(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cn1 CC(C)(C)[*:1] CN(C)c1ncc(cn1)CN1Cc2ccccc2C[C@H]1C(=O)N[*:1]
N=C(N)[N-]C1=NC(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S1 FC(F)(F)[*:1] N=C(N)[N-]C1=NC(=O)[C@@H](CC(=O)Nc2ccccc2[*:1])S1
CCSCC[C@H](C)N(C)C(=O)c1cc(=O)c2ccccc2o1 CCS[*:1] C[C@@H](CC[*:1])N(C)C(=O)c1cc(=O)c2ccccc2o1
CCSCC[C@H](C)N(C)C(=O)c1cc(=O)c2ccccc2o1 CCSCC[*:1] C[C@H](N(C)C(=O)c1cc(=O)c2ccccc2o1)[*:1]
CCSCC[C@H](C)N(C)C(=O)c1cc(=O)c2ccccc2o1 CCSC[*:1] C[C@@H](C[*:1])N(C)C(=O)c1cc(=O)c2ccccc2o1
COc1ccc(S(=O)(=O)N(C[C@H](C)O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C[C@H](C)O)[*:1]
O=C1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C[C@@H]2c3ccccc3CCN12 c1cc2OCOc2cc1[*:1] O=C1CN(C[C@@H]2c3ccccc3CCN12)S(=O)(=O)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)N1CCC[C@@H]1[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 CCO[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)N1CCC[C@@H]1c1ccc(cc1)[*:1]
CCS(=O)(=O)c1ccc(CCC(=O)N2CCc3cc(F)ccc3C2)cc1 CCS(=O)(=O)[*:1] O=C(CCc1ccc(cc1)[*:1])N1CCc2cc(F)ccc2C1
O=C(Nc1cc2c(cc1C(=O)Cc1ccccc1)OCCO2)c1cccs1 O=C(N[*:1])c1cccs1 O=C(Cc1ccccc1)c1cc2OCCOc2cc1[*:1]
O=C(Nc1cc2c(cc1C(=O)Cc1ccccc1)OCCO2)c1cccs1 c1ccc(cc1)C[*:1] O=C(Nc1cc2OCCOc2cc1C(=O)[*:1])c1cccs1
O=C(Nc1cc2c(cc1C(=O)Cc1ccccc1)OCCO2)c1cccs1 c1ccc(cc1)[*:1] O=C(Nc1cc2OCCOc2cc1C(=O)C[*:1])c1cccs1
O=C(Nc1cc2c(cc1C(=O)Cc1ccccc1)OCCO2)c1cccs1 c1csc(c1)[*:1] O=C(Cc1ccccc1)c1cc2OCCOc2cc1NC(=O)[*:1]
O=C(Nc1cc2c(cc1C(=O)Cc1ccccc1)OCCO2)c1cccs1 O=C(Cc1ccccc1)[*:1] O=C(Nc1cc2OCCOc2cc1[*:1])c1cccs1
Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)c2ccc([O-])nn2)CC1 Cc1ncccc1O[*:1] O=C(c1ccc([O-])nn1)N1CCC(CC1)(C(=O)[O-])[*:1]
Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)c2ccc([O-])nn2)CC1 [O-]c1ccc(nn1)[*:1] Cc1ncccc1OC1(CCN(CC1)C(=O)[*:1])C(=O)[O-]
Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)c2ccc([O-])nn2)CC1 Cc1ncccc1[*:1] O=C(c1ccc([O-])nn1)N1CCC(CC1)(O[*:1])C(=O)[O-]
Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)c2ccc([O-])nn2)CC1 O=C([O-])[*:1] Cc1ncccc1OC1(CCN(CC1)C(=O)c1ccc([O-])nn1)[*:1]
Cc1cc(C)n(Cn2ccc(C(=O)NC[C@@H]3CCCO3)n2)n1 C1CO[C@@H](C1)[*:1] Cc1cc(C)n(Cn2ccc(n2)C(=O)NC[*:1])n1
Cc1cc(C)n(Cn2ccc(C(=O)NC[C@@H]3CCCO3)n2)n1 Cc1cc(C)n(n1)[*:1] O=C(NC[C@@H]1CCCO1)c1ccn(C[*:1])n1
Cc1cc(C)n(Cn2ccc(C(=O)NC[C@@H]3CCCO3)n2)n1 C1CO[C@@H](C1)C[*:1] Cc1cc(C)n(Cn2ccc(n2)C(=O)N[*:1])n1
COC(=O)c1ccc(COc2nnc(-c3ccccc3)o2)cc1 COC(=O)[*:1] c1ccc(cc1)-c1nnc(OCc2ccc(cc2)[*:1])o1
COC(=O)c1ccc(COc2nnc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)COc1nnc(o1)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)c3cc(OC)cc(OC)c3)c2)n1 CCc1noc(n1)[*:1] COc1cc(cc(c1)C(=O)Nc1cc(ccc1C)[*:1])OC
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(F)c1 CN(C)C(=O)C(C#N)=C[*:1] COc1cc(cc(I)c1OCc1cccc(F)c1)[*:1]
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(F)c1 Fc1cccc(c1)C[*:1] COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1O[*:1]
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(F)c1 Fc1cccc(c1)CO[*:1] COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1[*:1]
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(F)c1 CN(C)C(=O)[*:1] COc1cc(C=C(C#N)[*:1])cc(I)c1OCc1cccc(F)c1
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1cccc(F)c1 Fc1cccc(c1)[*:1] COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OC[*:1]
CCN(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)NC1CC1 O=C(NC1CC1)[*:1] CCN(C)c1nc(ncc1[*:1])-c1ccc(F)cc1
CCN(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)NC1CC1 C1CC1[*:1] CCN(C)c1nc(ncc1C(=O)N[*:1])-c1ccc(F)cc1
CCN(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)NC1CC1 Fc1ccc(cc1)[*:1] CCN(C)c1nc(ncc1C(=O)NC1CC1)[*:1]
CCN(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)NC1CC1 CCN(C)[*:1] O=C(NC1CC1)c1cnc(nc1[*:1])-c1ccc(F)cc1
Cc1nc(-c2cccc(NC(=O)C3=Cc4cc(F)ccc4OC3)c2)no1 Cc1nc(no1)[*:1] O=C(Nc1cccc(c1)[*:1])C1=Cc2cc(F)ccc2OC1
Cc1noc(-c2cccnc2N2CCC[C@@H](NC(=O)C(C)C)C2)n1 Cc1noc(n1)[*:1] CC(C)C(=O)N[C@@H]1CCCN(C1)c1ncccc1[*:1]
Cc1noc(-c2cccnc2N2CCC[C@@H](NC(=O)C(C)C)C2)n1 CC(C)C(=O)N[*:1] Cc1noc(n1)-c1cccnc1N1CCC[C@@H](C1)[*:1]
Cc1noc(-c2cccnc2N2CCC[C@@H](NC(=O)C(C)C)C2)n1 CC(C)[*:1] Cc1noc(n1)-c1cccnc1N1CCC[C@H](C1)NC(=O)[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)c1 c1c(n[nH]c1C1CC1)[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)c1 C1CC1[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)c1cc([nH]n1)[*:1]
C[C@@H](C(=O)NC1CCC1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 C1CC(C1)[*:1] C[C@@H](C(=O)N[*:1])N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2
C[C@@H](C(=O)NC1CCC1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 C[C@@H](C(=O)NC1CCC1)[*:1] O=C1N[C@]2(CCC(=O)N(CC2)[*:1])Nc2ncccc21
C[C@@H](C(=O)NC1CCC1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 O=C(NC1CCC1)[*:1] C[C@@H](N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)[*:1]
CC(C)(C)C[NH2+]CC1C(C)(C)C1(C)C CC(C)(C)[*:1] CC1(C)C(C[NH2+]C[*:1])C1(C)C
Cn1cnnc1S[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 O=C([O-])[*:1] Cn1cnnc1S[C@@H]1CCC[C@]([NH3+])(C1)[*:1]
CN(CC1CCCC1)C(=O)c1csc(C#CCCO)c1 OCC[*:1] CN(CC1CCCC1)C(=O)c1csc(C#C[*:1])c1
CN(CC1CCCC1)C(=O)c1csc(C#CCCO)c1 C1CCC(C1)C[*:1] CN(C(=O)c1csc(C#CCCO)c1)[*:1]
CN(CC1CCCC1)C(=O)c1csc(C#CCCO)c1 OCCC#C[*:1] CN(CC1CCCC1)C(=O)c1csc(c1)[*:1]
CN(CC1CCCC1)C(=O)c1csc(C#CCCO)c1 C1CCC(C1)[*:1] CN(C[*:1])C(=O)c1csc(C#CCCO)c1
c1ccc(-c2cnc(SC3CCCC3)n2Cc2ccco2)cc1 c1ccc(cc1)[*:1] c1coc(c1)Cn1c(cnc1SC1CCCC1)[*:1]
c1ccc(-c2cnc(SC3CCCC3)n2Cc2ccco2)cc1 C1CCC(C1)S[*:1] c1ccc(cc1)-c1cnc(n1Cc1ccco1)[*:1]
c1ccc(-c2cnc(SC3CCCC3)n2Cc2ccco2)cc1 c1coc(c1)C[*:1] c1ccc(cc1)-c1cnc(SC2CCCC2)n1[*:1]
c1ccc(-c2cnc(SC3CCCC3)n2Cc2ccco2)cc1 c1coc(c1)[*:1] c1ccc(cc1)-c1cnc(SC2CCCC2)n1C[*:1]
c1ccc(-c2cnc(SC3CCCC3)n2Cc2ccco2)cc1 C1CCC(C1)[*:1] c1ccc(cc1)-c1cnc(S[*:1])n1Cc1ccco1
COc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(C)nc2)cc1OC Cc1ccc(cn1)[*:1] COc1ccc(cc1OC)[C@@H]1CCCN1C(=O)C[*:1]
COc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(C)nc2)cc1OC Cc1ccc(cn1)C[*:1] COc1ccc(cc1OC)[C@@H]1CCCN1C(=O)[*:1]
CCOc1ccc(/C=C(\C#N)[C@H]2[NH+]=c3cc(Br)cnc3=[NH+]2)cc1OC CCO[*:1] COc1cc(/C=C(\C#N)[C@H]2[NH+]=c3cc(Br)cnc3=[NH+]2)ccc1[*:1]
C[C@@H](NC(=O)[C@H](O)CN1CCOCC1)[C@H]1COc2ccccc2O1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)[C@H](O)C[*:1])[C@H]1COc2ccccc2O1
C[C@@H](NC(=O)[C@H](O)CN1CCOCC1)[C@H]1COc2ccccc2O1 C1CN(CCO1)C[*:1] C[C@@H](NC(=O)[C@H](O)[*:1])[C@H]1COc2ccccc2O1
Cc1nc(CN2C[C@](C)(C3CC3)[NH2+]CC[C@@H]2C)sc1C C1CC1[*:1] Cc1nc(CN2C[C@](C)([NH2+]CC[C@@H]2C)[*:1])sc1C
CC(=O)c1cccc(OCC(=O)NC2CCOCC2)c1 CC(=O)[*:1] O=C(COc1cccc(c1)[*:1])NC1CCOCC1
CC(=O)c1cccc(OCC(=O)NC2CCOCC2)c1 C1CC(CCO1)[*:1] CC(=O)c1cccc(c1)OCC(=O)N[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COc1ccc(cc1C(=O)N1CCN(CC1)[*:1])[N+](=O)[O-]
Cc1cccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)c1C Cc1cccc(c1C)[*:1] C[C@H](O[*:1])C(=O)Nc1sc2CCCc2c1C(=O)NCc1cccnc1
Cc1cccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)c1C c1cncc(c1)C[*:1] Cc1cccc(O[C@@H](C)C(=O)Nc2sc3CCCc3c2C(=O)N[*:1])c1C
Cc1cccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)c1C O=C(NCc1cccnc1)[*:1] Cc1cccc(O[C@@H](C)C(=O)Nc2sc3CCCc3c2[*:1])c1C
Cc1cccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)c1C c1cncc(c1)[*:1] Cc1cccc(O[C@@H](C)C(=O)Nc2sc3CCCc3c2C(=O)NC[*:1])c1C
Cc1cccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)c1C Cc1cccc(O[*:1])c1C C[C@@H](C(=O)Nc1sc2CCCc2c1C(=O)NCc1cccnc1)[*:1]
COc1ccc(NC(=O)N(C)C2CCCCC2)cc1C C1CCC(CC1)[*:1] COc1ccc(cc1C)NC(=O)N(C)[*:1]
Cc1cncc(NC(=O)N(C)CCOc2cc(C)cc(C)c2)c1 Cc1cncc(c1)[*:1] Cc1cc(C)cc(c1)OCCN(C)C(=O)N[*:1]
CCn1cc(CC(=O)NNc2cccc(F)c2F)c2ccccc21 Fc1cccc(c1F)[*:1] CCn1cc(CC(=O)NN[*:1])c2ccccc21
COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1ccc(C)c(Cl)c1 Cc1ccc(cc1Cl)[*:1] COc1cc(=O)n(nc1C(=O)N[*:1])-c1ccc(C)cc1
COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1ccc(C)c(Cl)c1 Cc1ccc(cc1)[*:1] COc1cc(=O)n(nc1C(=O)Nc1ccc(C)c(Cl)c1)[*:1]
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)cc1 CC(C)c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C[C@@H]1SC(=N[*:1])N(C)C1=O
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)C[C@@H]1S/C(=N/c2ccc(cc2)[*:1])N(C)C1=O
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)/N=C1/S[C@@H](CC(=O)N[*:1])C(=O)N1C
CO[C@H](C)c1ncc(CO)cn1 CO[C@H](C)[*:1] OCc1cnc(nc1)[*:1]
COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCOC12CCN(CC2)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
O=C(NCc1ccc(N2CCCC2=O)cc1)NCc1cccnc1-n1ccnc1 O=C1CCCN1[*:1] O=C(NCc1ccc(cc1)[*:1])NCc1cccnc1-n1ccnc1
O=C(NCc1ccc(N2CCCC2=O)cc1)NCc1cccnc1-n1ccnc1 c1cn(cn1)[*:1] O=C(NCc1ccc(cc1)N1CCCC1=O)NCc1cccnc1[*:1]
C=COCCCNC(=O)[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 C=COCCC[*:1] O=C(N[*:1])[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
C=COCCCNC(=O)[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 C=COCC[*:1] O=C(NC[*:1])[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
C=COCCCNC(=O)[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 C=CO[*:1] O=C(NCCC[*:1])[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
C=COCCCNC(=O)[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 C=COC[*:1] O=C(NCC[*:1])[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
CCN[C@H](c1cnccc1C)[C@@](C)(CC)[NH+]1CCCCC1 CCN[*:1] CC[C@](C)([C@@H](c1cnccc1C)[*:1])[NH+]1CCCCC1
CCN[C@H](c1cnccc1C)[C@@](C)(CC)[NH+]1CCCCC1 Cc1ccncc1[*:1] CCN[C@H]([C@@](C)(CC)[NH+]1CCCCC1)[*:1]
C/C(=C\CC[NH2+]C1CC1)Cc1ccc(Br)cc1 C1CC1[*:1] C/C(=C\CC[NH2+][*:1])Cc1ccc(Br)cc1
CC[C@@H](C#N)NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] CC[C@@H](C#N)NC(=O)c1ccnc(c1)O[*:1]
CC[C@@H](C#N)NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] CC[C@@H](C#N)NC(=O)c1ccnc(c1)[*:1]
CC[C@@H](C#N)NC(=O)c1ccnc(OC2CCC2)c1 CC[C@@H](C#N)[*:1] O=C(N[*:1])c1ccnc(c1)OC1CCC1
Cc1ccccc1CCNC(=O)c1cccc2[nH]ccc12 Cc1ccccc1[*:1] O=C(NCC[*:1])c1cccc2[nH]ccc12
Cc1cc(C)cc(NC(=O)CSc2nnc(NCc3ccccc3)s2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nnc(N[*:1])s1
Cc1cc(C)cc(NC(=O)CSc2nnc(NCc3ccccc3)s2)c1 c1ccc(cc1)CN[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nnc(s1)[*:1]
Cc1cc(C)cc(NC(=O)CSc2nnc(NCc3ccccc3)s2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CSc1nnc(NCc2ccccc2)s1)N[*:1]
Cc1cc(C)cc(NC(=O)CSc2nnc(NCc3ccccc3)s2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nnc(NC[*:1])s1
O=C1[C@@H]2[NH+]=c3ccccc3=C2[C@@H](c2cccc(Cl)c2)OCCN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@@H]2[NH+]=c3ccccc3=C2[C@H](OCCN1[*:1])c1cccc(Cl)c1
O=C1[C@@H]2[NH+]=c3ccccc3=C2[C@@H](c2cccc(Cl)c2)OCCN1Cc1ccccc1 Clc1cccc(c1)[*:1] O=C1[C@@H]2[NH+]=c3ccccc3=C2[C@@H](OCCN1Cc1ccccc1)[*:1]
O=C1[C@@H]2[NH+]=c3ccccc3=C2[C@@H](c2cccc(Cl)c2)OCCN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H]2[NH+]=c3ccccc3=C2[C@H](OCCN1C[*:1])c1cccc(Cl)c1
CN(Cc1ccc(Br)o1)C(=O)Cn1ccc(=O)n(C)c1=O Brc1ccc(o1)[*:1] CN(C[*:1])C(=O)Cn1ccc(=O)n(C)c1=O
CN(Cc1ccc(Br)o1)C(=O)Cn1ccc(=O)n(C)c1=O Brc1ccc(C[*:1])o1 CN(C(=O)Cn1ccc(=O)n(C)c1=O)[*:1]
CNC(=O)c1cc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)ccc1F Cc1ccc(cc1C)[*:1] CNC(=O)c1cc(ccc1F)NC(=O)CNC(=O)[*:1]
CNC(=O)c1cc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)ccc1F CNC(=O)[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)Nc1ccc(F)c(c1)[*:1]
CCCc1nn(C)c2c1NC(=O)[C@H](C)CN2CC CCC[*:1] CCN1C[C@@H](C)C(=O)Nc2c(nn(C)c21)[*:1]
C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)[*:1]
COc1ccc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)nn1 CC(C)[*:1] COc1ccc(nn1)C(=O)N1CCC[C@@H]1c1noc(n1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N[C@H]1c2ccccc2C[C@H]1C c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N[C@H]1c2ccccc2C[C@H]1C)[*:1]
COCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCO2 COCC[*:1] Cn1cc(C[NH2+][*:1])c(n1)-c1ccc2OCOc2c1
COCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCO2 COC[*:1] Cn1cc(C[NH2+]C[*:1])c(n1)-c1ccc2OCOc2c1
Cc1nc(C2CC2)nc2sc(C(=O)OCC(=O)c3ccc4c(c3)CCC(=O)N4)c(C)c12 C1CC1[*:1] Cc1nc(nc2sc(C(=O)OCC(=O)c3ccc4NC(=O)CCc4c3)c(C)c12)[*:1]
O=C(CCC(=O)N1CCOc2ccccc21)NCCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C(CCC(=O)N1CCOc2ccccc21)NC[*:1]
O=C(CCC(=O)N1CCOc2ccccc21)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CCC(=O)N1CCOc2ccccc21)NCC[*:1]
O=C(CCC(=O)N1CCOc2ccccc21)NCCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(CCC(=O)N1CCOc2ccccc21)NCCC[*:1]
COc1cc(F)c([C@H](C)NC(=O)c2cccc(C)c2C)cc1OC Cc1cccc(c1C)[*:1] COc1cc(F)c(cc1OC)[C@H](C)NC(=O)[*:1]
CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCN(Cc2ccccc2)CC1 O=C(N[*:1])c1cccs1 CC(C)[C@H](C(=O)N1CCN(CC1)Cc1ccccc1)[*:1]
CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCN(CC1)[*:1]
CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCN(Cc2ccccc2)CC1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCN(CC1)Cc1ccccc1)[*:1])c1cccs1
CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCN(Cc2ccccc2)CC1 c1csc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCN(CC1)Cc1ccccc1
CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCN(CC1)C[*:1]
c1ccc(-c2cc(CNc3cnn(-c4ccccc4)c3)n[nH]2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1cc(CNc2cnn(c2)[*:1])n[nH]1
c1ccc(-c2cc(CNc3cnn(-c4ccccc4)c3)n[nH]2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-n1cc(cn1)NCc1cc([nH]n1)[*:1]
C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cccnc2)C[C@@H](C)O1 c1cncc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ncnc2c1cnn2CCNC(=O)[*:1]
C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cccnc2)C[C@@H](C)O1 O=C(N[*:1])c1cccnc1 C[C@@H]1CN(C[C@@H](C)O1)c1ncnc2c1cnn2CC[*:1]
COC(=O)Nc1ccc(OCc2nc(-c3cccs3)oc2C)cc1 c1csc(c1)[*:1] COC(=O)Nc1ccc(cc1)OCc1nc(oc1C)[*:1]
COC(=O)Nc1ccc(OCc2nc(-c3cccs3)oc2C)cc1 COC(=O)N[*:1] Cc1oc(nc1COc1ccc(cc1)[*:1])-c1cccs1
C[C@@H](C1CC1)n1c(CCCl)nc2cc(Br)cnc21 C1CC1[*:1] C[C@@H](n1c(CCCl)nc2cc(Br)cnc21)[*:1]
C[C@@H](C1CC1)n1c(CCCl)nc2cc(Br)cnc21 C[C@@H](C1CC1)[*:1] ClCCc1nc2cc(Br)cnc2n1[*:1]
C[C@@H](C1CC1)n1c(CCCl)nc2cc(Br)cnc21 ClCC[*:1] C[C@@H](C1CC1)n1c(nc2cc(Br)cnc21)[*:1]
CCc1nn(C)cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CCc1nn(C)cc1NC(=O)Nc1ccc(cc1)[*:1]
CCc1nn(C)cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CCc1nn(C)cc1NC(=O)Nc1ccc(cc1)O[*:1]
C#CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1C C#CC[*:1] Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1O[*:1]
C#CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1C C#CCO[*:1] Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1[*:1]
C#CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1C Cc1ccccc1[*:1] C#CCOc1ccc(Cl)cc1/C=N/NC(=O)[*:1]
COc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1OC c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1OC)NC(=O)C(=O)NCC[*:1]
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C1CC1 O=C([O-])[*:1] C[C@@H]1[C@H](CCN1C(=O)C1CC1)[*:1]
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C1CC1 C1CC1[*:1] C[C@@H]1[C@@H](CCN1C(=O)[*:1])C(=O)[O-]
O=C(COc1cccc(Br)c1)NNC(=O)c1cnn(Cc2ccccc2Cl)c1 Brc1cccc(c1)[*:1] O=C(CO[*:1])NNC(=O)c1cnn(c1)Cc1ccccc1Cl
O=C(COc1cccc(Br)c1)NNC(=O)c1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1C[*:1] O=C(COc1cccc(Br)c1)NNC(=O)c1cnn(c1)[*:1]
O=C(COc1cccc(Br)c1)NNC(=O)c1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] O=C(COc1cccc(Br)c1)NNC(=O)c1cnn(c1)C[*:1]
O=C(COc1cccc(Br)c1)NNC(=O)c1cnn(Cc2ccccc2Cl)c1 Brc1cccc(c1)OC[*:1] O=C(NNC(=O)[*:1])c1cnn(c1)Cc1ccccc1Cl
O=C(COc1cccc(Br)c1)NNC(=O)c1cnn(Cc2ccccc2Cl)c1 Brc1cccc(c1)O[*:1] O=C(C[*:1])NNC(=O)c1cnn(c1)Cc1ccccc1Cl
Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@H]1C[C@@H]1C CC(C)NC(=O)[*:1] Cc1cc(=O)n(C[*:1])c(C)c1C(=O)N[C@H]1C[C@@H]1C
Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@H]1C[C@@H]1C CC(C)[*:1] Cc1cc(=O)n(CC(=O)N[*:1])c(C)c1C(=O)N[C@H]1C[C@@H]1C
Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@H]1C[C@@H]1C CC(C)NC(=O)C[*:1] Cc1cc(=O)n(c(C)c1C(=O)N[C@H]1C[C@@H]1C)[*:1]
CSCCCCNC(=O)c1c(Cl)ccc(Cl)c1Cl CSCC[*:1] O=C(NCC[*:1])c1c(Cl)ccc(Cl)c1Cl
CSCCCCNC(=O)c1c(Cl)ccc(Cl)c1Cl CSCCC[*:1] O=C(NC[*:1])c1c(Cl)ccc(Cl)c1Cl
CSCCCCNC(=O)c1c(Cl)ccc(Cl)c1Cl CSC[*:1] O=C(NCCC[*:1])c1c(Cl)ccc(Cl)c1Cl
CSCCCCNC(=O)c1c(Cl)ccc(Cl)c1Cl CSCCCC[*:1] O=C(N[*:1])c1c(Cl)ccc(Cl)c1Cl
NC(=O)[C@@H](NC(=O)CCCc1cccs1)c1ccccc1 c1csc(c1)C[*:1] NC(=O)[C@@H](NC(=O)CC[*:1])c1ccccc1
NC(=O)[C@@H](NC(=O)CCCc1cccs1)c1ccccc1 c1csc(c1)[*:1] NC(=O)[C@@H](NC(=O)CCC[*:1])c1ccccc1
NC(=O)[C@@H](NC(=O)CCCc1cccs1)c1ccccc1 c1csc(c1)CC[*:1] NC(=O)[C@@H](NC(=O)C[*:1])c1ccccc1
NC(=O)[C@@H](NC(=O)CCCc1cccs1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)CCCc1cccs1)[*:1]
NC(=O)[C@@H](NC(=O)CCCc1cccs1)c1ccccc1 NC(=O)[*:1] O=C(CCCc1cccs1)N[C@@H](c1ccccc1)[*:1]
[NH3+][C@H](Cc1ccncc1)Cc1nc2ccccc2s1 c1cc(ccn1)[*:1] [NH3+][C@@H](Cc1nc2ccccc2s1)C[*:1]
Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)Cc1nc2ccccc2s1 CC(C)(C)[*:1] Cc1cccc(c1NC(=O)C(=O)Cc1nc2ccccc2s1)[*:1]
Cc1ncc([C@@H](C)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c(C)n1 c1ccc(cc1)[*:1] Cc1ncc(c(C)n1)[C@@H](C)N[C@H](C[C@@H]1CCOC1)[*:1]
Cc1ncc([C@@H](C)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c(C)n1 C1C[C@H](CO1)C[*:1] Cc1ncc(c(C)n1)[C@@H](C)N[C@H](c1ccccc1)[*:1]
Cc1ncc([C@@H](C)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c(C)n1 Cc1ncc(c(C)n1)[*:1] C[C@@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)[*:1]
Cc1ncc([C@@H](C)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c(C)n1 C1C[C@H](CO1)[*:1] Cc1ncc(c(C)n1)[C@@H](C)N[C@H](C[*:1])c1ccccc1
CC(C)(O)CCn1cccnc1=O CC(C)(O)[*:1] O=c1ncccn1CC[*:1]
CN(C[C@@H](O)C1CC1)C(=O)c1ccc(Br)cc1Cl O[C@@H](C1CC1)[*:1] CN(C[*:1])C(=O)c1ccc(Br)cc1Cl
CN(C[C@@H](O)C1CC1)C(=O)c1ccc(Br)cc1Cl O[C@H](C[*:1])C1CC1 CN(C(=O)c1ccc(Br)cc1Cl)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)c1ccc(Br)cc1Cl C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)c1ccc(Br)cc1Cl
Cc1cccc(NC(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])N1CCC(CC1)Oc1cnc2ccccc2n1
CCCC[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2OC)C1=O CCC[*:1] COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)C[*:1])C1=O
CCCC[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2OC)C1=O CCCC[*:1] COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)[*:1])C1=O
O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C1(c2cccs2)CCCC1 c1coc(c1)[*:1] O=C(NC[C@H](N1CCc2ccccc2C1)[*:1])C1(CCCC1)c1cccs1
O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C1(c2cccs2)CCCC1 c1csc(c1)[*:1] O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C1(CCCC1)[*:1]
O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C1(c2cccs2)CCCC1 c1ccc2CN(CCc2c1)[*:1] O=C(NC[C@H](c1ccco1)[*:1])C1(CCCC1)c1cccs1
O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C1(c2cccs2)CCCC1 c1csc(c1)C1(CCCC1)[*:1] O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)[*:1]
CC(C)OCCCNC(=O)Nc1ccc(F)cc1Br CC(C)[*:1] O=C(NCCCO[*:1])Nc1ccc(F)cc1Br
CC(C)OCCCNC(=O)Nc1ccc(F)cc1Br CC(C)O[*:1] O=C(NCCC[*:1])Nc1ccc(F)cc1Br
CC(C)OCCCNC(=O)Nc1ccc(F)cc1Br CC(C)OCC[*:1] O=C(NC[*:1])Nc1ccc(F)cc1Br
CC(C)OCCCNC(=O)Nc1ccc(F)cc1Br CC(C)OC[*:1] O=C(NCC[*:1])Nc1ccc(F)cc1Br
O=C(NC[C@@H]1CCCN1c1cccnn1)c1cccc(-n2cccc2)c1 c1cnnc(c1)[*:1] O=C(NC[C@@H]1CCCN1[*:1])c1cccc(c1)-n1cccc1
O=C(NC[C@@H]1CCCN1c1cccnn1)c1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] O=C(NC[C@@H]1CCCN1c1cccnn1)c1cccc(c1)[*:1]
Cc1ccc([C@H]2C[C@H]2C(=O)NCC(=O)NC2CC2)s1 O=C(NC1CC1)[*:1] Cc1ccc(s1)[C@H]1C[C@H]1C(=O)NC[*:1]
Cc1ccc([C@H]2C[C@H]2C(=O)NCC(=O)NC2CC2)s1 Cc1ccc(s1)[*:1] O=C(CNC(=O)[C@@H]1C[C@@H]1[*:1])NC1CC1
Cc1ccc([C@H]2C[C@H]2C(=O)NCC(=O)NC2CC2)s1 C1CC1[*:1] Cc1ccc(s1)[C@H]1C[C@H]1C(=O)NCC(=O)N[*:1]
CC(C)CN(C(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1)[*:1]
CC(C)CN(C(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CC1 O=C(N1CCOCC1)[*:1] CC(C)CN(C(=O)NC[C@H](c1ccccc1)[*:1])C1CC1
CC(C)CN(C(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CC1 CC(C)[*:1] O=C([C@@H](CNC(=O)N(C[*:1])C1CC1)c1ccccc1)N1CCOCC1
CC(C)CN(C(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CC1 CC(C)C[*:1] O=C([C@@H](CNC(=O)N(C1CC1)[*:1])c1ccccc1)N1CCOCC1
CC(C)CN(C(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CC1 c1ccc(cc1)[*:1] CC(C)CN(C(=O)NC[C@H](C(=O)N1CCOCC1)[*:1])C1CC1
CC[C@H]1CCCC[C@H]1NC(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1 Cc1cccc(C[*:1])n1 CC[C@H]1CCCC[C@H]1NC(=O)N(Cc1cccc(C)n1)[*:1]
CC[C@H]1CCCC[C@H]1NC(=O)N(Cc1cccc(C)n1)Cc1cccc(C)n1 Cc1cccc(n1)[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N(Cc1cccc(C)n1)C[*:1]
CC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1cccc(Cl)c1 C1CC1[*:1] CC[C@@H](NC(=O)NNC(=O)C(=O)N[*:1])c1cccc(Cl)c1
CC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)[*:1]
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)Cc1ccccc1 Cc1cccc(c1)[*:1] CC[C@H](O[*:1])C(=O)NNC(=O)Cc1ccccc1
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)C[*:1]
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)[*:1]
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)Cc1ccccc1 Cc1cccc(c1)O[*:1] CC[C@H](C(=O)NNC(=O)Cc1ccccc1)[*:1]
NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(F)c(Cl)c1 NC(=O)[*:1] O=C(CN1CCOC[C@@H]1[*:1])Nc1ccc(F)c(Cl)c1
CCC[C@@H]1CN(C(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)CCO1 Fc1ccc(cc1)[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@@H](C)S(=O)(=O)[*:1]
CCC[C@@H]1CN(C(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)CCO1 CCC[*:1] C[C@H](C(=O)N1CCO[C@@H](C1)[*:1])S(=O)(=O)c1ccc(F)cc1
Cc1ccc(CNC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1F O=C1CCCN1[*:1] Cc1ccc(cc1F)CNC(=O)N[C@@H](C[*:1])c1ccccc1
Cc1ccc(CNC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1F O=C1CCCN1C[*:1] Cc1ccc(cc1F)CNC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(CNC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1F Cc1ccc(cc1F)C[*:1] O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)N[*:1]
Cc1ccc(CNC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1F Cc1ccc(cc1F)[*:1] O=C(NC[*:1])N[C@@H](CN1CCCC1=O)c1ccccc1
Cc1ccc(CNC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)CNC(=O)N[C@@H](CN1CCCC1=O)[*:1]
Cn1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1=O N#Cc1cccc(c1)C[*:1] Cn1ccc(cc1=O)C(=O)Nc1ccc(cc1)O[*:1]
Cn1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1=O N#Cc1cccc(c1)[*:1] Cn1ccc(cc1=O)C(=O)Nc1ccc(cc1)OC[*:1]
Cn1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1=O Cn1ccc(cc1=O)[*:1] N#Cc1cccc(c1)COc1ccc(cc1)NC(=O)[*:1]
COc1ccccc1N1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 Fc1ccc(cc1Cl)[*:1] COc1ccccc1N1CCN(CC1)C(=S)N[*:1]
COc1ccccc1N1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 COc1ccccc1[*:1] Fc1ccc(cc1Cl)NC(=S)N1CCN(CC1)[*:1]
O=C1CC2(CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)CN1Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)C[*:1] O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC2(CC1)CC(=O)N(C2)[*:1]
O=C1CC2(CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)CN1Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C1CC2(CCN(CC2)C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CN1C[*:1]
COc1cccc(-c2noc([C@@H](C)NC(=O)N(C)[C@H](C)c3ccco3)n2)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)N(C)[C@H](C)c1ccco1)c1nc(no1)[*:1]
COc1cccc(-c2noc([C@@H](C)NC(=O)N(C)[C@H](C)c3ccco3)n2)c1 c1coc(c1)[*:1] COc1cccc(c1)-c1noc(n1)[C@@H](C)NC(=O)N(C)[C@H](C)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C)C(=O)[O-] CC(C)[*:1] C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12)[*:1])C(=O)[O-]
CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C)C(=O)[O-] C[C@@H](NC(=O)[*:1])C(=O)[O-] CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C)C(=O)[O-] CC(C)[C@H](C(=O)N[C@H](C)C(=O)[O-])[*:1] O=C(N[*:1])[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12
Cc1ccc(C)c(NC(=O)Cn2cnc(S(=O)(=O)N3CCc4ccccc43)c2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cn1cnc(c1)S(=O)(=O)N1CCc2ccccc21)N[*:1]
NC(=O)c1c(NC(=O)CSc2ccc(Br)cc2)sc2c1CCC2 NC(=O)[*:1] O=C(CSc1ccc(Br)cc1)Nc1sc2CCCc2c1[*:1]
NC(=O)c1c(NC(=O)CSc2ccc(Br)cc2)sc2c1CCC2 Brc1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)CS[*:1])sc2CCCc21
COc1ccc2c(CC(=O)Nc3ccc(-c4cc[nH]n4)cc3)coc2c1 c1cc(n[nH]1)[*:1] COc1ccc2c(coc2c1)CC(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2CCN(C(=O)c3cccs3)c2c1)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 c1csc(c1)[*:1] O=C(Nc1ccc2CCN(C(=O)[*:1])c2c1)[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S[C@@H]2NN=C3C(Cl)=CC(C(F)(F)F)=CN32)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)S[C@@H]2NN=C3C(Cl)=CC(=CN32)C(F)(F)F)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S[C@@H]2NN=C3C(Cl)=CC(C(F)(F)F)=CN32)c1C FC(F)(F)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S[C@@H]2NN=C3C(Cl)=CC(=CN32)[*:1])c1C
O=C(Nc1cnc2ccccc2c1)c1sccc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cnc2ccccc2c1)c1sccc1[*:1]
COC(=O)c1c(NC(C)=O)c2cc(NC3CCCCCC3)cnc2n1C[C@H]1CCCO1 C1CCCC(CC1)[*:1] COC(=O)c1c(NC(C)=O)c2cc(cnc2n1C[C@H]1CCCO1)N[*:1]
COC(=O)c1c(NC(C)=O)c2cc(NC3CCCCCC3)cnc2n1C[C@H]1CCCO1 CC(=O)N[*:1] COC(=O)c1c(c2cc(cnc2n1C[C@H]1CCCO1)NC1CCCCCC1)[*:1]
COC(=O)c1c(NC(C)=O)c2cc(NC3CCCCCC3)cnc2n1C[C@H]1CCCO1 COC(=O)[*:1] CC(=O)Nc1c(n(C[C@H]2CCCO2)c2ncc(cc12)NC1CCCCCC1)[*:1]
COC(=O)c1c(NC(C)=O)c2cc(NC3CCCCCC3)cnc2n1C[C@H]1CCCO1 C1CCCC(CC1)N[*:1] COC(=O)c1c(NC(C)=O)c2cc(cnc2n1C[C@H]1CCCO1)[*:1]
CN1CCOc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2C1=O Clc1ccc(cc1)[*:1] CN1CCOc2ccc(cc2C1=O)NC(=O)NC[*:1]
CN1CCOc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2C1=O Clc1ccc(cc1)C[*:1] CN1CCOc2ccc(cc2C1=O)NC(=O)N[*:1]
O=C1[C@@H](N[C@H]2CCOc3ccccc32)CCN1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] O=C1[C@H](CCN1[*:1])N[C@H]1CCOc2ccccc21
C[NH+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 c1ccc(cc1)C[*:1] C[NH+](CC1CC[NH+](CC1)Cc1cc(cs1)C(N)=O)[*:1]
C[NH+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 c1ccc(cc1)[*:1] C[NH+](CC1CC[NH+](CC1)Cc1cc(cs1)C(N)=O)C[*:1]
C[NH+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 NC(=O)[*:1] C[NH+](Cc1ccccc1)CC1CC[NH+](CC1)Cc1cc(cs1)[*:1]
C[NH+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 NC(=O)c1csc(c1)[*:1] C[NH+](Cc1ccccc1)CC1CC[NH+](CC1)C[*:1]
CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccccc4OC)cc3)ccc21 COc1ccccc1[*:1] CCC(=O)N1CCc2cc(ccc21)-c1ccc(cc1)C(=O)NC[*:1]
CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccccc4OC)cc3)ccc21 COc1ccccc1C[*:1] CCC(=O)N1CCc2cc(ccc21)-c1ccc(cc1)C(=O)N[*:1]
O=C(NCCOCC(F)(F)F)Nc1cccc(N2CCCC2=O)c1 FC(F)(F)C[*:1] O=C(NCCO[*:1])Nc1cccc(c1)N1CCCC1=O
O=C(NCCOCC(F)(F)F)Nc1cccc(N2CCCC2=O)c1 FC(F)(F)COCC[*:1] O=C(Nc1cccc(c1)N1CCCC1=O)N[*:1]
O=C(NCCOCC(F)(F)F)Nc1cccc(N2CCCC2=O)c1 FC(F)(F)COC[*:1] O=C(NC[*:1])Nc1cccc(c1)N1CCCC1=O
O=C(NCCOCC(F)(F)F)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(NCCOCC(F)(F)F)Nc1cccc(c1)[*:1]
O=C(NCCOCC(F)(F)F)Nc1cccc(N2CCCC2=O)c1 FC(F)(F)[*:1] O=C(NCCOC[*:1])Nc1cccc(c1)N1CCCC1=O
O=C(NCCOCC(F)(F)F)Nc1cccc(N2CCCC2=O)c1 FC(F)(F)CO[*:1] O=C(NCC[*:1])Nc1cccc(c1)N1CCCC1=O
O=C(CSC1CCCC1)N[C@H]1CCCc2ccccc21 C1CCC(C1)S[*:1] O=C(C[*:1])N[C@H]1CCCc2ccccc21
O=C(CSC1CCCC1)N[C@H]1CCCc2ccccc21 C1CCC(C1)[*:1] O=C(CS[*:1])N[C@H]1CCCc2ccccc21
Cc1ccc(-c2nc(C(=O)OCc3cc(=O)n4ccsc4n3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(OCc1cc(=O)n2ccsc2n1)c1csc(n1)[*:1]
C[C@@H](Cn1cccn1)NC(=O)[C@H]1CCCN1S(C)(=O)=O c1cnn(c1)C[*:1] C[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)[*:1]
C[C@@H](Cn1cccn1)NC(=O)[C@H]1CCCN1S(C)(=O)=O c1cnn(c1)[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1CCCN1S(C)(=O)=O
CCNC(=O)Cc1c(OC)ccc2cc(Br)ccc12 CCNC(=O)C[*:1] COc1ccc2cc(Br)ccc2c1[*:1]
CCNC(=O)Cc1c(OC)ccc2cc(Br)ccc12 CCNC(=O)[*:1] COc1ccc2cc(Br)ccc2c1C[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccccc2-n2cccn2)C1 CC(C)CCO[*:1] O=C(Nc1ccccc1-n1cccn1)N1CC[C@@H](C1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccccc2-n2cccn2)C1 c1cnn(c1)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)Nc1ccccc1[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccccc2-n2cccn2)C1 CC(C)CC[*:1] O=C(Nc1ccccc1-n1cccn1)N1CC[C@@H](C1)O[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccccc2-n2cccn2)C1 CC(C)C[*:1] O=C(Nc1ccccc1-n1cccn1)N1CC[C@@H](C1)OC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccccc2-n2cccn2)C1 CC(C)[*:1] O=C(Nc1ccccc1-n1cccn1)N1CC[C@@H](C1)OCC[*:1]
C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1CO)Oc1ccccc1F Fc1ccccc1[*:1] C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1CO)O[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(C)c(O)c2)C1 CCC[*:1] Cc1ccc(cc1O)CC(=O)N1CCC[C@H](C1)NC(=O)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(C)c(O)c2)C1 CCCC(=O)N[*:1] Cc1ccc(cc1O)CC(=O)N1CCC[C@H](C1)[*:1]
Nc1nc(NC2(CO)CCCCC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(ccc1[*:1])NC1(CO)CCCCC1
CSc1nc2ccc(NC(=O)N(C)Cc3ccco3)cc2s1 c1coc(c1)C[*:1] CSc1nc2ccc(cc2s1)NC(=O)N(C)[*:1]
CSc1nc2ccc(NC(=O)N(C)Cc3ccco3)cc2s1 c1coc(c1)[*:1] CSc1nc2ccc(cc2s1)NC(=O)N(C)C[*:1]
O=C(C[C@@H](O)c1ccc(Cl)cc1)NCCc1ccccn1 Clc1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])NCCc1ccccn1
O=C(C[C@@H](O)c1ccc(Cl)cc1)NCCc1ccccn1 c1ccc(C[*:1])nc1 O=C(C[C@@H](O)c1ccc(Cl)cc1)NC[*:1]
O=C(C[C@@H](O)c1ccc(Cl)cc1)NCCc1ccccn1 c1ccc(nc1)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)NCC[*:1]
Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccc4c(c3)OCC(=O)N4)cn2)c1 Cc1ccc(C)c(c1)[*:1] O=C1COc2cc(ccc2N1)C(=O)NCc1ccc(nc1)O[*:1]
Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccc4c(c3)OCC(=O)N4)cn2)c1 Cc1ccc(C)c(c1)O[*:1] O=C1COc2cc(ccc2N1)C(=O)NCc1ccc(nc1)[*:1]
O=C1OC(/C=C\c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccccc1 O=[N+]([O-])[*:1] O=C1OC(/C=C\c2cccc(c2)[*:1])=N/C1=C\c1ccccc1
O=C1OC(/C=C\c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccccc1 c1ccc(cc1)[*:1] O=C1OC(/C=C\c2cccc(c2)[N+](=O)[O-])=N/C/1=C[*:1]
COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc[nH]n1)CC2 c1cc(n[nH]1)[*:1] COCC(=O)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc[nH]n1)CC2 COC[*:1] O=C(c1cc[nH]n1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
O=C(CC1(O)CCCC1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)[*:1] O=C(CC1(O)CCCC1)N1CCO[C@H](C1)c1cccc(c1)O[*:1]
O=C(CC1(O)CCCC1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] O=C(CC1(O)CCCC1)N1CCO[C@H](C1)c1cccc(c1)[*:1]
O=C(CC1(O)CCCC1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 OC1(CCCC1)[*:1] O=C(C[*:1])N1CCO[C@H](C1)c1cccc(c1)OC(F)F
O=C(CC1(O)CCCC1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 OC1(CCCC1)C[*:1] O=C(N1CCO[C@H](C1)c1cccc(c1)OC(F)F)[*:1]
Cc1cccc(C(=O)N2CCCC[C@H]2C[C@H](C)O)c1O C[C@H](O)[*:1] Cc1cccc(C(=O)N2CCCC[C@H]2C[*:1])c1O
Cc1cccc(C(=O)N2CCCC[C@H]2C[C@H](C)O)c1O C[C@H](O)C[*:1] Cc1cccc(C(=O)N2CCCC[C@@H]2[*:1])c1O
Cc1ccc(CN(C(=O)NCc2ccc3c(c2)OCO3)C(C)C)o1 Cc1ccc(C[*:1])o1 CC(C)N(C(=O)NCc1ccc2OCOc2c1)[*:1]
Cc1ccc(CN(C(=O)NCc2ccc3c(c2)OCO3)C(C)C)o1 Cc1ccc(o1)[*:1] CC(C)N(C[*:1])C(=O)NCc1ccc2OCOc2c1
Cc1ccc(CN(C(=O)NCc2ccc3c(c2)OCO3)C(C)C)o1 CC(C)[*:1] Cc1ccc(CN(C(=O)NCc2ccc3OCOc3c2)[*:1])o1
Cc1ccc([C@H]2CCCN2C(=O)CCSc2ccccn2)cc1C Cc1ccc(cc1C)[*:1] O=C(CCSc1ccccn1)N1CCC[C@@H]1[*:1]
Cc1ccc([C@H]2CCCN2C(=O)CCSc2ccccn2)cc1C c1ccc(nc1)[*:1] Cc1ccc(cc1C)[C@H]1CCCN1C(=O)CCS[*:1]
Cc1ccc([C@H]2CCCN2C(=O)CCSc2ccccn2)cc1C c1ccc(nc1)S[*:1] Cc1ccc(cc1C)[C@H]1CCCN1C(=O)CC[*:1]
Cc1ccc([C@H]2CCCN2C(=O)CCSc2ccccn2)cc1C c1ccc(nc1)SC[*:1] Cc1ccc(cc1C)[C@H]1CCCN1C(=O)C[*:1]
CSC1=NS[C@@H](NC(=O)c2ncn[nH]2)N1 c1n[nH]c(n1)[*:1] CSC1=NS[C@@H](NC(=O)[*:1])N1
C[C@H](NC(=O)[C@@H]1CCCS1)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@H](NC(=O)[C@@H]1CCCS1)c1ccc(cc1)[*:1]
Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCN(Cc2noc3ccccc23)CC1 c1ccc2c(noc2c1)[*:1] Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCN(CC1)C[*:1]
C=CCN(CC=C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 C=CC[*:1] C=CCN(C(=O)NC[C@@]1(CCC[C@H](C)C1)[NH+](C)C)[*:1]
CC(C)CCCNC(=O)OCCO OCC[*:1] CC(C)CCCNC(=O)O[*:1]
CC(C)CCCNC(=O)OCCO CC(C)[*:1] O=C(NCCC[*:1])OCCO
CC(C)CCCNC(=O)OCCO CC(C)C[*:1] O=C(NCC[*:1])OCCO
CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1[C@H]2c1ccccc1 c1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1[C@@H]2[*:1]
CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(Cc1nc(no1)-c1cccs1)S(=O)(=O)[*:1]
CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(Cl)cc1 c1csc(c1)[*:1] CN(Cc1nc(no1)[*:1])S(=O)(=O)c1ccc(Cl)cc1
CC[C@H](C)N1C(N)=[NH+]C[C@H]1[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CC[C@H](C)N1C(N)=[NH+]C[C@@H]1[*:1]
CC[C@H](C)N1C(N)=[NH+]C[C@H]1[C@@H]1CCOC1 CC[C@H](C)[*:1] NC1=[NH+]C[C@@H]([C@@H]2CCOC2)N1[*:1]
[NH3+][C@H](Cc1cnc2[nH]cccc1-2)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H](Cc1cnc2[nH]cccc1-2)[*:1]
O=C(Nc1ccccc1C(=O)N1CCCCC1)C(=O)NC1CC1 C1CC1[*:1] O=C(Nc1ccccc1C(=O)N1CCCCC1)C(=O)N[*:1]
NC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F c1ccc(cc1)[*:1] NC(=O)c1cnn2c1N[C@H](C[C@@H]2C(F)(F)F)[*:1]
NC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F NC(=O)[*:1] FC(F)(F)[C@H]1C[C@H](Nc2c(cnn21)[*:1])c1ccccc1
NC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F FC(F)(F)[*:1] NC(=O)c1cnn2c1N[C@@H](C[C@H]2[*:1])c1ccccc1
Cc1c([N+](=O)[O-])cc(C(=O)NC2CCCCCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[*:1])C(=O)NC1CCCCCCC1)[N+](=O)[O-]
Cc1c([N+](=O)[O-])cc(C(=O)NC2CCCCCCC2)cc1[N+](=O)[O-] C1CCCC(CCC1)[*:1] Cc1c(cc(cc1[N+](=O)[O-])C(=O)N[*:1])[N+](=O)[O-]
COC[C@@H]1CCN(c2cncc(C[NH2+]C(C)(C)C)n2)C1 COC[*:1] CC(C)(C)[NH2+]Cc1cncc(n1)N1CC[C@H](C1)[*:1]
COC[C@@H]1CCN(c2cncc(C[NH2+]C(C)(C)C)n2)C1 CC(C)(C)[*:1] COC[C@@H]1CCN(C1)c1cncc(C[NH2+][*:1])n1
C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCO[C@H](c3ccccc3)C2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCO[C@H](C2)[*:1])C1
Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc2c(c1)NC(=O)CO2 C1CCC(C1)[*:1] Cc1nc(sc1C(=O)Nc1ccc2OCC(=O)Nc2c1)[*:1]
C[C@@H]1CCCN(C(=O)c2cn(C)nc2C(C)(C)C)[C@@H]1C CC(C)(C)[*:1] C[C@@H]1CCCN(C(=O)c2cn(C)nc2[*:1])[C@@H]1C
COc1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[NH2+][C@]1(C(=O)[O-])CC[C@H](Sc2ccc(Cl)cn2)C1 O=C([O-])[*:1] C[NH2+][C@@]1(CC[C@@H](C1)Sc1ccc(Cl)cn1)[*:1]
O=C(CN1CCCc2ccccc21)Nc1ccccc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCCc2ccccc21)Nc1ccccc1C(=O)N[*:1]
O=C(CN1CCCc2ccccc21)Nc1ccccc1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(CN1CCCc2ccccc21)Nc1ccccc1[*:1]
CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccc(Cl)cc2)CCO1 Clc1ccc(cc1)[*:1] CC1(C)C[C@@H](CCO1)n1nc(O)c2c1NC(=O)CS[C@H]2[*:1]
CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2coc(-c3cccs3)n2)cc1 CC(C)(C)[*:1] N#C[C@H](NC(=O)Cc1coc(n1)-c1cccs1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2coc(-c3cccs3)n2)cc1 c1csc(c1)[*:1] CC(C)(C)c1ccc(cc1)[C@H](C#N)NC(=O)Cc1coc(n1)[*:1]
CCCCOC(=O)c1sc2[nH+]c(C)cc(C)c2c1N CCCC[*:1] Cc1cc(C)c2c(N)c(sc2[nH+]1)C(=O)O[*:1]
CCCCOC(=O)c1sc2[nH+]c(C)cc(C)c2c1N CCC[*:1] Cc1cc(C)c2c(N)c(sc2[nH+]1)C(=O)OC[*:1]
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3csc(-c4ccccc4)n3)nc21 CCOC(=O)[*:1] O=C(Nc1nc2c(CC[C@@H]2[*:1])s1)c1csc(n1)-c1ccccc1
CCOC(=O)[C@H]1CCc2sc(NC(=O)c3csc(-c4ccccc4)n3)nc21 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCc2sc(nc21)NC(=O)c1csc(n1)[*:1]
CC(C)C[C@](C)(O)C[NH2+][C@H]1CCOC2(CCCC2)C1 CC(C)C[*:1] C[C@](O)(C[NH2+][C@H]1CCOC2(CCCC2)C1)[*:1]
CC(C)C[C@](C)(O)C[NH2+][C@H]1CCOC2(CCCC2)C1 CC(C)[*:1] C[C@@](O)(C[NH2+][C@H]1CCOC2(CCCC2)C1)C[*:1]
Cc1cccc(-n2cc(CN3CCc4[nH]ncc4C3)c(-c3cccc(F)c3)n2)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1)-n1cc(CN2CCc3[nH]ncc3C2)c(n1)[*:1]
Cc1cccc(-n2cc(CN3CCc4[nH]ncc4C3)c(-c3cccc(F)c3)n2)c1 Cc1cccc(c1)[*:1] Fc1cccc(c1)-c1nn(cc1CN1CCc2[nH]ncc2C1)[*:1]
O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)C1CCCC1)N1CCC(CC1)NS(=O)(=O)[*:1]
O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 C1CCC(C1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC(CC1)NS(=O)(=O)c1ccc(Cl)cc1
NNc1nc(Nc2cccc(Cl)c2)nc(N2CCOCC2)n1 Clc1cccc(c1)[*:1] NNc1nc(nc(n1)N1CCOCC1)N[*:1]
NNc1nc(Nc2cccc(Cl)c2)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] NNc1nc(nc(n1)[*:1])Nc1cccc(Cl)c1
Cc1ccc(S(=O)(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NNS(=O)(=O)[*:1]
C[C@H]1OCC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] C[C@H]1OCC[C@H]1C(=O)N(C)Cc1cc(ccc1Cl)[*:1]
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=[NH+]/Cc1ccccc1 c1ccc(cc1)[*:1] O=C1NC(=S)N(C(=O)[C@H]1/C=[NH+]/C[*:1])c1ccccc1
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=[NH+]/Cc1ccccc1 c1ccc(cc1)[*:1] O=C1NC(=S)N(C(=O)[C@H]1/C=[NH+]/Cc1ccccc1)[*:1]
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=[NH+]/Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1NC(=S)N(C(=O)[C@H]1C=[NH+][*:1])c1ccccc1
COc1cc([C@H](C)NC(=O)C2CC2)ccc1OC(C)C C1CC1[*:1] COc1cc(ccc1OC(C)C)[C@H](C)NC(=O)[*:1]
COc1cc([C@H](C)NC(=O)C2CC2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[C@H](C)NC(=O)C1CC1
COc1cc([C@H](C)NC(=O)C2CC2)ccc1OC(C)C O=C(N[*:1])C1CC1 COc1cc(ccc1OC(C)C)[C@H](C)[*:1]
COc1cc([C@H](C)NC(=O)C2CC2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[C@H](C)NC(=O)C1CC1
Cc1noc(C)c1CN1CCN(C(=O)c2ccc(N(C)C)nc2)CC1 CN(C)[*:1] Cc1noc(C)c1CN1CCN(CC1)C(=O)c1ccc(nc1)[*:1]
Cc1noc(C)c1CN1CCN(C(=O)c2ccc(N(C)C)nc2)CC1 Cc1noc(C)c1[*:1] CN(C)c1ccc(cn1)C(=O)N1CCN(CC1)C[*:1]
Cc1noc(C)c1CN1CCN(C(=O)c2ccc(N(C)C)nc2)CC1 Cc1noc(C)c1C[*:1] CN(C)c1ccc(cn1)C(=O)N1CCN(CC1)[*:1]
O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCC[C@@H](OCc2cccnc2)C1 c1cncc(c1)[*:1] O=C(c1cc(n[nH]1)-c1ccccc1F)N1CCC[C@H](C1)OC[*:1]
O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCC[C@@H](OCc2cccnc2)C1 c1cncc(c1)C[*:1] O=C(c1cc(n[nH]1)-c1ccccc1F)N1CCC[C@H](C1)O[*:1]
O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCC[C@@H](OCc2cccnc2)C1 Fc1ccccc1[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCC[C@H](C1)OCc1cccnc1
O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCC[C@@H](OCc2cccnc2)C1 c1cncc(c1)CO[*:1] O=C(c1cc(n[nH]1)-c1ccccc1F)N1CCC[C@@H](C1)[*:1]
Cc1ccc2c(c1)N(C(=O)Cn1cccc(S(=O)(=O)N3CCCCCC3)c1=O)CCO2 O=S(=O)(N1CCCCCC1)[*:1] Cc1ccc2OCCN(C(=O)Cn3cccc(c3=O)[*:1])c2c1
CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(SC(F)F)cc2)CC1 FC(F)[*:1] CC[NH+]1CCN(CC1)[C@@H](C)CNC(=O)c1ccc(cc1)S[*:1]
CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(SC(F)F)cc2)CC1 FC(F)S[*:1] CC[NH+]1CCN(CC1)[C@@H](C)CNC(=O)c1ccc(cc1)[*:1]
O=C(CCNC(=O)c1ccccc1Cl)NCCc1ccc2c(c1)OCO2 Clc1ccccc1[*:1] O=C(CCNC(=O)[*:1])NCCc1ccc2OCOc2c1
O=C(NCc1cccc2ccccc12)c1ccc(Br)nc1 Brc1ccc(cn1)[*:1] O=C(NCc1cccc2ccccc12)[*:1]
CC(=O)N1CCN(C(=O)[C@H](C)Sc2ccc(-c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H](C)Sc1ccc(cc1)[*:1]
Cc1cccc(NC(=O)CSCC(=O)Nc2cn(C)c(=O)cc2C)c1 Cc1cccc(c1)[*:1] Cc1cc(=O)n(C)cc1NC(=O)CSCC(=O)N[*:1]
CCNc1cc(C(=O)N2CCCC2)ccc1OC CCN[*:1] COc1ccc(cc1[*:1])C(=O)N1CCCC1
CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(-n3cccn3)cc1)CC2 c1cnn(c1)[*:1] CC(C)c1nc2CC[C@@H](Cn2n1)[NH2+]Cc1ccc(cc1)[*:1]
CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(-n3cccn3)cc1)CC2 CC(C)[*:1] c1cnn(c1)-c1ccc(cc1)C[NH2+][C@H]1CCc2nc(nn2C1)[*:1]
CC(C)Cc1cc(NC(=O)Cc2coc(-c3cccs3)n2)n(C)n1 c1csc(c1)[*:1] CC(C)Cc1cc(NC(=O)Cc2coc(n2)[*:1])n(C)n1
CC(C)Cc1cc(NC(=O)Cc2coc(-c3cccs3)n2)n(C)n1 CC(C)[*:1] Cn1nc(cc1NC(=O)Cc1coc(n1)-c1cccs1)C[*:1]
CC(C)Cc1cc(NC(=O)Cc2coc(-c3cccs3)n2)n(C)n1 CC(C)C[*:1] Cn1nc(cc1NC(=O)Cc1coc(n1)-c1cccs1)[*:1]
CN(C)/C=C\C(=O)c1cnc(-c2ccccc2)s1 CN(C)C=C[*:1] O=C(c1cnc(s1)-c1ccccc1)[*:1]
CN(C)/C=C\C(=O)c1cnc(-c2ccccc2)s1 CN(C)[*:1] O=C(C=C[*:1])c1cnc(s1)-c1ccccc1
CN(C)/C=C\C(=O)c1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CN(C)/C=C\C(=O)c1cnc(s1)[*:1]
C[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)[C@@H](C)CN1C(=O)/C=C/c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H]1CN(C(=O)C=C[*:1])[C@@H](C)CN1C(=O)/C=C/c1ccc2OCOc2c1
C[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)[C@@H](C)CN1C(=O)/C=C/c1ccc2c(c1)OCO2 C(=C[*:1])c1ccc2OCOc2c1 C[C@H]1CN(C(=O)[*:1])[C@@H](C)CN1C(=O)/C=C/c1ccc2OCOc2c1
C[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@@H](Sc1nnc(-c2ccccc2F)n1C)[*:1]
C[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1c(F)cccc1F Fc1ccccc1[*:1] C[C@@H](Sc1nnc(n1C)[*:1])c1c(F)cccc1F
Cc1cccc(-c2[nH]ncc2CN(C)[C@H](C)CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] Cc1cccc(c1)-c1[nH]ncc1CN(C)[C@H](C)[*:1]
Cc1cccc(-c2[nH]ncc2CN(C)[C@H](C)CS(C)(=O)=O)c1 Cc1cccc(c1)[*:1] C[C@H](CS(C)(=O)=O)N(C)Cc1cn[nH]c1[*:1]
Cc1cccc(-c2[nH]ncc2CN(C)[C@H](C)CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)-c1[nH]ncc1CN(C)[C@H](C)C[*:1]
CCCn1cnc2nc(CSc3ccccc3NC(=O)c3ccc(C)c(F)c3)cc(=O)n21 Cc1ccc(cc1F)[*:1] CCCn1cnc2nc(cc(=O)n21)CSc1ccccc1NC(=O)[*:1]
CCCn1cnc2nc(CSc3ccccc3NC(=O)c3ccc(C)c(F)c3)cc(=O)n21 CCC[*:1] Cc1ccc(cc1F)C(=O)Nc1ccccc1SCc1cc(=O)n2c(ncn2[*:1])n1
Cc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@H](C)C[C@H]2C(F)(F)F FC(F)(F)[*:1] Cc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@H](C)C[C@@H]2[*:1]
Cc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@H](C)C[C@H]2C(F)(F)F Cc1ccccc1[*:1] C[C@@H]1C[C@H](n2ncc(C(=O)NNC(=S)N[*:1])c2N1)C(F)(F)F
C[C@H](CNC(=O)[C@@H]1CCOc2ccccc21)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@H](CNC(=O)[C@@H]1CCOc2ccccc21)[*:1]
C[C@H](CNC(=O)[C@@H]1CCOc2ccccc21)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@@H]1CCOc2ccccc21)N[*:1]
Cc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C)c(C)c4)c3n2)c1 NC(=O)[*:1] Cc1cccc(c1)-c1nc(c2[nH]c(=O)n(-c3ccc(C)c(C)c3)c2n1)[*:1]
Cc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C)c(C)c4)c3n2)c1 Cc1ccc(cc1C)[*:1] Cc1cccc(c1)-c1nc(C(N)=O)c2[nH]c(=O)n(c2n1)[*:1]
Cc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C)c(C)c4)c3n2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1C)-n1c(=O)[nH]c2c(nc(nc21)[*:1])C(N)=O
COc1ccc(-n2c(C)cn3c4c(=O)n(Cc5ccccc5F)c(=O)n(C)c4nc23)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)-n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
COc1ccc(-n2c(C)cn3c4c(=O)n(Cc5ccccc5F)c(=O)n(C)c4nc23)cc1 COc1ccc(cc1)[*:1] Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1[*:1]
COc1ccc(-n2c(C)cn3c4c(=O)n(Cc5ccccc5F)c(=O)n(C)c4nc23)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C)c(-n2cccc2)c1 c1ccn(c1)[*:1] CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C)c(c1)[*:1]
CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C)c(-n2cccc2)c1 CCC[*:1] Cc1ccc(cc1-n1cccc1)C(=O)N(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[*:1]
CC[C@@H](C)NC(=O)Nc1c(-c2ccc(F)cc2)[nH]c2ccccc12 CC[C@@H](C)[*:1] O=C(Nc1c([nH]c2ccccc12)-c1ccc(F)cc1)N[*:1]
CC[C@@H](C)NC(=O)Nc1c(-c2ccc(F)cc2)[nH]c2ccccc12 Fc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)Nc1c([nH]c2ccccc12)[*:1]
COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] COc1ccc(cc1)N1C(=O)[C@H](Cc2ccc(C)cc2)SC1=C(C#N)[*:1]
COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)C[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(C1=O)[*:1]
COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)N1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=C(/C#N)C(=O)NC[*:1]
COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)N1C(=O)[C@H](S/C1=C(/C#N)C(=O)NCc1ccco1)[*:1]
COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)[C@H](C[*:1])S/C1=C(/C#N)C(=O)NCc1ccco1
COc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)N1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=C(/C#N)C(=O)N[*:1]
CCO[C@H](C)C(=O)N[C@@H](CC)Cc1ccccc1 CCO[*:1] CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)[*:1]
CCO[C@H](C)C(=O)N[C@@H](CC)Cc1ccccc1 CCO[C@H](C)[*:1] CC[C@@H](Cc1ccccc1)NC(=O)[*:1]
CCO[C@H](C)C(=O)N[C@@H](CC)Cc1ccccc1 c1ccc(cc1)[*:1] CCO[C@H](C)C(=O)N[C@@H](CC)C[*:1]
COC(=O)CSc1nnc(NN)s1 COC(=O)[*:1] NNc1nnc(SC[*:1])s1
C[NH2+][C@H](c1ccn(Cc2ccccc2)c1)C(C)C c1ccc(cc1)[*:1] C[NH2+][C@H](c1ccn(c1)C[*:1])C(C)C
C[NH2+][C@H](c1ccn(Cc2ccccc2)c1)C(C)C CC(C)[*:1] C[NH2+][C@H](c1ccn(c1)Cc1ccccc1)[*:1]
C[C@@H]1CC(C(=O)N(C)CCC#N)C[C@@H](C)O1 N#CC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N(C)C[*:1]
C[C@@H]1CC(C(=O)N(C)CCC#N)C[C@@H](C)O1 N#CCC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N(C)[*:1]
CC(=O)N1CCc2c(NCCOC(C)C)nc(C)[nH+]c2C1 CC(C)OCC[*:1] CC(=O)N1CCc2c(nc(C)[nH+]c2C1)N[*:1]
CC(=O)N1CCc2c(NCCOC(C)C)nc(C)[nH+]c2C1 CC(C)OCCN[*:1] CC(=O)N1CCc2c(nc(C)[nH+]c2C1)[*:1]
CC(=O)N1CCc2c(NCCOC(C)C)nc(C)[nH+]c2C1 CC(C)[*:1] CC(=O)N1CCc2c(nc(C)[nH+]c2C1)NCCO[*:1]
CC(=O)N1CCc2c(NCCOC(C)C)nc(C)[nH+]c2C1 CC(C)OC[*:1] CC(=O)N1CCc2c(nc(C)[nH+]c2C1)NC[*:1]
CC(=O)N1CCc2c(NCCOC(C)C)nc(C)[nH+]c2C1 CC(C)O[*:1] CC(=O)N1CCc2c(nc(C)[nH+]c2C1)NCC[*:1]
CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 CC[C@H](C)[*:1] C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)[*:1]
CCOc1ccccc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)cc(=O)[nH]1 CCOc1ccccc1[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)[*:1])-c1ccco1
CCOc1ccccc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)cc(=O)[nH]1 Cc1cc(=O)[nH]c(n1)[*:1] CCOc1ccccc1C(=O)Nc1cc(nn1[*:1])-c1ccco1
CCOc1ccccc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)cc(=O)[nH]1 CCO[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)c1ccccc1[*:1])-c1ccco1
CCOc1ccccc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)cc(=O)[nH]1 c1coc(c1)[*:1] CCOc1ccccc1C(=O)Nc1cc(nn1-c1nc(C)cc(=O)[nH]1)[*:1]
CC1(C)CCC[C@@]1([NH3+])Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC1(C)CCC[C@@]1([NH3+])Cc1ccc(cc1)[*:1]
COc1ccccc1N1C(SCc2ccc(F)cc2Cl)=N[C@@H]2CS(=O)(=O)C[C@H]21 Fc1ccc(c(Cl)c1)[*:1] COc1ccccc1N1C(=N[C@@H]2CS(=O)(=O)C[C@H]21)SC[*:1]
COc1ccccc1N1C(SCc2ccc(F)cc2Cl)=N[C@@H]2CS(=O)(=O)C[C@H]21 Fc1ccc(C[*:1])c(Cl)c1 COc1ccccc1N1C(=N[C@@H]2CS(=O)(=O)C[C@H]21)S[*:1]
COc1ccccc1N1C(SCc2ccc(F)cc2Cl)=N[C@@H]2CS(=O)(=O)C[C@H]21 COc1ccccc1[*:1] O=S1(=O)C[C@H]2N=C(SCc3ccc(F)cc3Cl)N([C@@H]2C1)[*:1]
Cc1ccc2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cn2c1 c1ccc(cc1)C[*:1] Cc1ccc2nc(cn2c1)C(=O)N1CCC(CC1)[*:1]
Cc1ccc2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cn2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(cn2c1)C(=O)N1CCC(CC1)C[*:1]
FC(F)(F)c1ccc(C2=NO[C@@H]([C@H]3C=C(C4CC4)N=N3)N2)cc1 C1CC1[*:1] FC(F)(F)c1ccc(cc1)C1=NO[C@H](N1)[C@H]1C=C(N=N1)[*:1]
FC(F)(F)c1ccc(C2=NO[C@@H]([C@H]3C=C(C4CC4)N=N3)N2)cc1 FC(F)(F)[*:1] C1=C(N=N[C@H]1[C@H]1NC(=NO1)c1ccc(cc1)[*:1])C1CC1
Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)o1 CC(C)(C)[*:1] Cc1ccc(o1)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)o1 Cc1ccc(o1)[*:1] CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccnc1 c1cncc(c1)[*:1] N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccnc1 c1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@@H]1c1cccnc1)[*:1]
CCc1cccc(NC(=O)CNS(=O)(=O)c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CCc1cccc(c1)NC(=O)CNS(=O)(=O)[*:1]
CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C(N)=O)c2ccccc21 NC(=O)[*:1] CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](c2ccccc21)[*:1]
CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C(N)=O)c2ccccc21 CC(C)[*:1] NC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[*:1])c2ccccc21
CC1=C([C@@H](c2cc(Cl)ccc2OCc2cccc(Cl)c2)c2c(C)n[nH]c2[O-])[C@@H](O)N=N1 Clc1cccc(c1)CO[*:1] CC1N=N[C@H](O)C=1[C@@H](c1cc(Cl)ccc1[*:1])c1c(C)n[nH]c1[O-]
CC1=C([C@@H](c2cc(Cl)ccc2OCc2cccc(Cl)c2)c2c(C)n[nH]c2[O-])[C@@H](O)N=N1 Clc1cccc(c1)C[*:1] CC1N=N[C@H](O)C=1[C@@H](c1cc(Cl)ccc1O[*:1])c1c(C)n[nH]c1[O-]
CC1=C([C@@H](c2cc(Cl)ccc2OCc2cccc(Cl)c2)c2c(C)n[nH]c2[O-])[C@@H](O)N=N1 Clc1cccc(c1)[*:1] CC1N=N[C@H](O)C=1[C@@H](c1cc(Cl)ccc1OC[*:1])c1c(C)n[nH]c1[O-]
CCCNC(=O)[C@H](C)Sc1nc2c(cc1C#N)CCCC2 CCCNC(=O)[*:1] C[C@H](Sc1nc2CCCCc2cc1C#N)[*:1]
CCCNC(=O)[C@H](C)Sc1nc2c(cc1C#N)CCCC2 CCC[*:1] C[C@H](Sc1nc2CCCCc2cc1C#N)C(=O)N[*:1]
Cn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1C(F)(F)F FC(F)(F)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccc(F)cc1Cl
CCCCOc1ccc(C(=O)N2CCN(C3=[NH+]N=C(c4ccccc4)CS3)CC2)cc1 CCC[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCN(CC1)C1=[NH+]N=C(CS1)c1ccccc1
CCCCOc1ccc(C(=O)N2CCN(C3=[NH+]N=C(c4ccccc4)CS3)CC2)cc1 CCCCO[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)C1=[NH+]N=C(CS1)c1ccccc1
CCCCOc1ccc(C(=O)N2CCN(C3=[NH+]N=C(c4ccccc4)CS3)CC2)cc1 c1ccc(cc1)[*:1] CCCCOc1ccc(cc1)C(=O)N1CCN(CC1)C1=[NH+]N=C(CS1)[*:1]
CCCCOc1ccc(C(=O)N2CCN(C3=[NH+]N=C(c4ccccc4)CS3)CC2)cc1 CCCC[*:1] O=C(c1ccc(cc1)O[*:1])N1CCN(CC1)C1=[NH+]N=C(CS1)c1ccccc1
CCN(C(=O)c1ccc2ccccc2n1)[C@@H](C)CS(=O)(=O)CC CCS(=O)(=O)C[*:1] CCN(C(=O)c1ccc2ccccc2n1)[C@@H](C)[*:1]
CCN(C(=O)c1ccc2ccccc2n1)[C@@H](C)CS(=O)(=O)CC CCS(=O)(=O)[*:1] CCN(C(=O)c1ccc2ccccc2n1)[C@@H](C)C[*:1]
c1cc(C[NH2+]C2CC2)ncc1OC[C@H]1CCOC1 C1C[C@@H](CO1)C[*:1] c1cc(C[NH2+]C2CC2)ncc1O[*:1]
c1cc(C[NH2+]C2CC2)ncc1OC[C@H]1CCOC1 C1CC1[*:1] c1cc(C[NH2+][*:1])ncc1OC[C@H]1CCOC1
c1cc(C[NH2+]C2CC2)ncc1OC[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] c1cc(C[NH2+]C2CC2)ncc1OC[*:1]
Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccc3c(c2)OCCO3)cc1 c1cc2OCCOc2cc1[*:1] Cc1ccc(cc1)-c1nc2ccccc2n1CCNC(=O)N[*:1]
Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] O=C(NCCn1c(nc2ccccc21)[*:1])Nc1ccc2OCCOc2c1
CC[NH+]1CCN([C@@H](c2ccncc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 c1coc(c1)[*:1] CC[NH+]1CCN(CC1)[C@@H](c1ccncc1)c1c(NC(=O)[*:1])sc2CCCCc21
CC[NH+]1CCN([C@@H](c2ccncc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 c1cc(ccn1)[*:1] CC[NH+]1CCN(CC1)[C@@H](c1c(NC(=O)c2ccco2)sc2CCCCc21)[*:1]
CC[NH+]1CCN([C@@H](c2ccncc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 O=C(N[*:1])c1ccco1 CC[NH+]1CCN(CC1)[C@@H](c1ccncc1)c1c(sc2CCCCc21)[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)cs2)cc1 COc1ccccc1[*:1] Cc1csc(n1)NC(=O)c1ccc(cc1)S(=O)(=O)N(C)[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)cs2)cc1 Cc1csc(n1)[*:1] COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)cs2)cc1 Cc1csc(n1)NC(=O)[*:1] COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)c(C)s2)n1 Cc1ccc(cc1C)[*:1] Cc1csc(n1)-c1cc(c(C)s1)S(=O)(=O)N[*:1]
Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)c(C)s2)n1 Cc1csc(n1)[*:1] Cc1ccc(cc1C)NS(=O)(=O)c1cc(sc1C)[*:1]
Cc1cccc2[nH]c(C3CCN(C(=O)Cc4c[nH]c(=O)[nH]c4=O)CC3)nc12 O=c1[nH]cc(C[*:1])c(=O)[nH]1 Cc1cccc2[nH]c(nc12)C1CCN(CC1)C(=O)[*:1]
Cc1cccc2[nH]c(C3CCN(C(=O)Cc4c[nH]c(=O)[nH]c4=O)CC3)nc12 O=c1[nH]cc(c(=O)[nH]1)[*:1] Cc1cccc2[nH]c(nc12)C1CCN(CC1)C(=O)C[*:1]
CC[C@@H](C)N(CC)C(=O)c1csc(C#CCCO)c1 CC[C@@H](C)[*:1] CCN(C(=O)c1csc(C#CCCO)c1)[*:1]
CC[C@@H](C)N(CC)C(=O)c1csc(C#CCCO)c1 OCCC#C[*:1] CC[C@@H](C)N(CC)C(=O)c1csc(c1)[*:1]
CC[C@@H](C)N(CC)C(=O)c1csc(C#CCCO)c1 OCC[*:1] CC[C@@H](C)N(CC)C(=O)c1csc(C#C[*:1])c1
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N1CCC[C@H]2CCC[C@@H]21 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)N1CCC[C@H]2CCC[C@@H]21)[*:1]
Cc1cccc(CS(=O)(=O)CC(=O)Nc2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cccc(c1)CS(=O)(=O)CC(=O)Nc1ccccc1[*:1]
Cc1cccc(CS(=O)(=O)CC(=O)Nc2ccccc2C(F)(F)F)c1 Cc1cccc(c1)[*:1] O=C(CS(=O)(=O)C[*:1])Nc1ccccc1C(F)(F)F
Cc1cccc(CS(=O)(=O)CC(=O)Nc2ccccc2C(F)(F)F)c1 Cc1cccc(c1)C[*:1] O=C(CS(=O)(=O)[*:1])Nc1ccccc1C(F)(F)F
O=C(NCc1cccc(Cl)c1)c1snc2c(=O)n(Cc3ccccc3)cnc12 Clc1cccc(c1)[*:1] O=C(NC[*:1])c1snc2c(=O)n(cnc12)Cc1ccccc1
O=C(NCc1cccc(Cl)c1)c1snc2c(=O)n(Cc3ccccc3)cnc12 Clc1cccc(c1)C[*:1] O=C(N[*:1])c1snc2c(=O)n(cnc12)Cc1ccccc1
O=C(NCc1cccc(Cl)c1)c1snc2c(=O)n(Cc3ccccc3)cnc12 c1ccc(cc1)C[*:1] O=C(NCc1cccc(Cl)c1)c1snc2c(=O)n(cnc12)[*:1]
O=C(NCc1cccc(Cl)c1)c1snc2c(=O)n(Cc3ccccc3)cnc12 c1ccc(cc1)[*:1] O=C(NCc1cccc(Cl)c1)c1snc2c(=O)n(cnc12)C[*:1]
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(Cl)c2)cc1 CCO[*:1] N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1cn(C)nc1-c1cccs1 CC(C)(C)[*:1] CO[C@H]1CN(C[C@H]1NCc1cn(C)nc1-c1cccs1)C(=O)O[*:1]
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1cn(C)nc1-c1cccs1 c1csc(c1)[*:1] CO[C@H]1CN(C[C@H]1NCc1cn(C)nc1[*:1])C(=O)OC(C)(C)C
Cc1ccnc(NNC(=O)c2cc(-c3ccccc3)c(C)[nH]c2=O)c1 c1ccc(cc1)[*:1] Cc1ccnc(c1)NNC(=O)c1cc(c(C)[nH]c1=O)[*:1]
Cc1ccnc(NNC(=O)c2cc(-c3ccccc3)c(C)[nH]c2=O)c1 Cc1ccnc(c1)[*:1] Cc1[nH]c(=O)c(cc1-c1ccccc1)C(=O)NN[*:1]
CC(C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)NC(=O)c1cccnc1Oc1ccc(cc1)NS(=O)(=O)[*:1]
CC(C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccccc2)cc1 CC(C)[*:1] O=C(N[*:1])c1cccnc1Oc1ccc(cc1)NS(=O)(=O)c1ccccc1
CC(C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccccc2)cc1 CC(C)NC(=O)[*:1] O=S(=O)(Nc1ccc(cc1)Oc1ncccc1[*:1])c1ccccc1
CS(=O)(=O)c1cccc(NS(=O)(=O)CCCC(=O)[O-])c1 O=C([O-])CC[*:1] CS(=O)(=O)c1cccc(c1)NS(=O)(=O)C[*:1]
CS(=O)(=O)c1cccc(NS(=O)(=O)CCCC(=O)[O-])c1 O=C([O-])CCC[*:1] CS(=O)(=O)c1cccc(c1)NS(=O)(=O)[*:1]
CS(=O)(=O)c1cccc(NS(=O)(=O)CCCC(=O)[O-])c1 O=C([O-])C[*:1] CS(=O)(=O)c1cccc(c1)NS(=O)(=O)CC[*:1]
CS(=O)(=O)c1cccc(NS(=O)(=O)CCCC(=O)[O-])c1 CS(=O)(=O)[*:1] O=C([O-])CCCS(=O)(=O)Nc1cccc(c1)[*:1]
CS(=O)(=O)c1cccc(NS(=O)(=O)CCCC(=O)[O-])c1 O=C([O-])[*:1] CS(=O)(=O)c1cccc(c1)NS(=O)(=O)CCC[*:1]
N#Cc1ccccc1CSc1nc(C(F)(F)F)nc2ccccc12 FC(F)(F)[*:1] N#Cc1ccccc1CSc1nc(nc2ccccc12)[*:1]
N#Cc1ccccc1CSc1nc(C(F)(F)F)nc2ccccc12 N#Cc1ccccc1[*:1] FC(F)(F)c1nc(SC[*:1])c2ccccc2n1
CC(C)(C)CC(=O)N1CCC([NH2+]CCCN2CCOCC2)CC1 C1CN(CCO1)[*:1] CC(C)(C)CC(=O)N1CCC(CC1)[NH2+]CCC[*:1]
CC(C)(C)CC(=O)N1CCC([NH2+]CCCN2CCOCC2)CC1 C1CN(CCO1)C[*:1] CC(C)(C)CC(=O)N1CCC(CC1)[NH2+]CC[*:1]
CC(C)(C)CC(=O)N1CCC([NH2+]CCCN2CCOCC2)CC1 CC(C)(C)[*:1] O=C(C[*:1])N1CCC(CC1)[NH2+]CCCN1CCOCC1
CC(C)(C)CC(=O)N1CCC([NH2+]CCCN2CCOCC2)CC1 CC(C)(C)C[*:1] O=C(N1CCC(CC1)[NH2+]CCCN1CCOCC1)[*:1]
Cc1ccccc1OCCCN(C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 Cc1ccccc1O[*:1] CN(CCC[*:1])C(=O)[C@@H]1CC(=O)N(C1)C1CCCC1
Cc1ccccc1OCCCN(C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 C1CCC(C1)[*:1] Cc1ccccc1OCCCN(C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1OCCCN(C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 Cc1ccccc1[*:1] CN(CCCO[*:1])C(=O)[C@@H]1CC(=O)N(C1)C1CCCC1
O=C(NCc1cccs1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12 c1csc(c1)C[*:1] O=C(N[*:1])c1cnn2c(cc(nc12)-c1ccc(Br)cc1)C(F)(F)F
O=C(NCc1cccs1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12 O=C(NCc1cccs1)[*:1] FC(F)(F)c1cc(nc2c(cnn12)[*:1])-c1ccc(Br)cc1
O=C(NCc1cccs1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12 c1csc(c1)[*:1] O=C(NC[*:1])c1cnn2c(cc(nc12)-c1ccc(Br)cc1)C(F)(F)F
O=C(NCc1cccs1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12 Brc1ccc(cc1)[*:1] O=C(NCc1cccs1)c1cnn2c(cc(nc12)[*:1])C(F)(F)F
O=C(NCc1cccs1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12 FC(F)(F)[*:1] O=C(NCc1cccs1)c1cnn2c(cc(nc12)-c1ccc(Br)cc1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)NCC(C)(C)NS(C)(=O)=O Cc1noc(C)c1[*:1] C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)NCC(C)(C)NS(C)(=O)=O CS(=O)(=O)N[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)NCC(C)(C)[*:1]
Cc1cccc(C(=O)NCCc2ncc(C)s2)c1 Cc1cnc(s1)[*:1] Cc1cccc(c1)C(=O)NCC[*:1]
COC(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2nc(C)ccc2c1=O Clc1ccccc1[*:1] COC(=O)c1cn(CC(=O)N[*:1])c2nc(C)ccc2c1=O
COC(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2nc(C)ccc2c1=O COC(=O)[*:1] Cc1ccc2c(=O)c(cn(CC(=O)Nc3ccccc3Cl)c2n1)[*:1]
CCN(C(=O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O)C1CC1 C1CC1[*:1] CCN(C(=O)Cn1cc(cc(C(=O)OC)c1=O)[N+](=O)[O-])[*:1]
CCN(C(=O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O)C1CC1 O=[N+]([O-])[*:1] CCN(C(=O)Cn1cc(cc(C(=O)OC)c1=O)[*:1])C1CC1
CCN(C(=O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O)C1CC1 COC(=O)[*:1] CCN(C(=O)Cn1cc(cc(c1=O)[*:1])[N+](=O)[O-])C1CC1
COC(=O)N1CCC([NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)CC1 CC(=O)NC[*:1] COC(=O)N1CCC(CC1)[NH2+][C@H](C)c1ccc(cc1)C[*:1]
COC(=O)N1CCC([NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)CC1 CC(=O)N[*:1] COC(=O)N1CCC(CC1)[NH2+][C@H](C)c1ccc(cc1)CC[*:1]
COC(=O)N1CCC([NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)CC1 CC(=O)NCC[*:1] COC(=O)N1CCC(CC1)[NH2+][C@H](C)c1ccc(cc1)[*:1]
CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1 FC(F)(F)CO[*:1] CC(C)(C)C(=O)Nc1cccc(c1)NC(=O)c1ccc(nc1)[*:1]
CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1 CC(C)(C)C(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(nc1)OCC(F)(F)F
CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1 FC(F)(F)[*:1] CC(C)(C)C(=O)Nc1cccc(c1)NC(=O)c1ccc(nc1)OC[*:1]
CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1 FC(F)(F)C[*:1] CC(C)(C)C(=O)Nc1cccc(c1)NC(=O)c1ccc(nc1)O[*:1]
CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1ccc(nc1)OCC(F)(F)F
Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2cn(C)nc2C)c1 Cc1cccc(c1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H](C)O[*:1]
Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2cn(C)nc2C)c1 Cc1nn(C)cc1[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)N[C@H](C)[*:1]
C/[NH+]=C(/NCc1cc(C(C)C)no1)N1CCc2cc(OC)c(OC)cc2C1 CC(C)c1cc(C[*:1])on1 C/[NH+]=C(/N[*:1])N1CCc2cc(OC)c(cc2C1)OC
C/[NH+]=C(/NCc1cc(C(C)C)no1)N1CCc2cc(OC)c(OC)cc2C1 CC(C)[*:1] C/[NH+]=C(/NCc1cc(no1)[*:1])N1CCc2cc(OC)c(cc2C1)OC
C/[NH+]=C(/NCc1cc(C(C)C)no1)N1CCc2cc(OC)c(OC)cc2C1 CC(C)c1cc(on1)[*:1] C/[NH+]=C(/NC[*:1])N1CCc2cc(OC)c(cc2C1)OC
O=C(CCC1CCCCC1)Nc1ccccc1C(=O)NC1CC1 C1CCC(CC1)C[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NC1CC1
O=C(CCC1CCCCC1)Nc1ccccc1C(=O)NC1CC1 C1CCC(CC1)[*:1] O=C(CC[*:1])Nc1ccccc1C(=O)NC1CC1
O=C(CCC1CCCCC1)Nc1ccccc1C(=O)NC1CC1 O=C(NC1CC1)[*:1] O=C(CCC1CCCCC1)Nc1ccccc1[*:1]
O=C(CCC1CCCCC1)Nc1ccccc1C(=O)NC1CC1 C1CC1[*:1] O=C(CCC1CCCCC1)Nc1ccccc1C(=O)N[*:1]
O=C(OCc1nc(C2CC2)cs1)[C@H]1CN(Cc2ccccc2)CCO1 C1CC1[*:1] O=C(OCc1nc(cs1)[*:1])[C@H]1CN(CCO1)Cc1ccccc1
O=C(OCc1nc(C2CC2)cs1)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] O=C(OCc1nc(cs1)C1CC1)[C@H]1CN(CCO1)[*:1]
O=C(OCc1nc(C2CC2)cs1)[C@H]1CN(Cc2ccccc2)CCO1 c1sc(nc1C1CC1)[*:1] O=C(OC[*:1])[C@H]1CN(CCO1)Cc1ccccc1
O=C(OCc1nc(C2CC2)cs1)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] O=C(OCc1nc(cs1)C1CC1)[C@H]1CN(CCO1)C[*:1]
C[C@H](NC(=O)NCCc1ccc(O)cc1)c1nc(C(C)(C)C)no1 Oc1ccc(cc1)[*:1] C[C@H](NC(=O)NCC[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)NCCc1ccc(O)cc1)c1nc(C(C)(C)C)no1 Oc1ccc(cc1)C[*:1] C[C@H](NC(=O)NC[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)NCCc1ccc(O)cc1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)NCCc1ccc(O)cc1)c1nc(no1)[*:1]
Cc1cc(Sc2ccncc2)c([C@@H](C)[NH3+])cc1F c1cc(ccn1)[*:1] Cc1cc(S[*:1])c(cc1F)[C@@H](C)[NH3+]
COc1ccc(CCNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
COc1ccc(CCNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 COc1ccc(cc1)C[*:1] O=C(NC[*:1])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
COc1ccc(CCNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)CCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)[*:1]
COc1ccc(CCNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 COc1ccc(cc1)CC[*:1] O=C(N[*:1])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
CCOc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1]
CCOc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 Fc1ccc(cc1)[*:1] CCOc1ccc(NC(=O)N2CCN(CC2)[*:1])c(C)c1
COc1cccc2cc(C(=O)N(Cc3ccsc3)CC(F)(F)F)oc12 c1cc(cs1)C[*:1] COc1cccc2cc(oc12)C(=O)N(CC(F)(F)F)[*:1]
COc1cccc2cc(C(=O)N(Cc3ccsc3)CC(F)(F)F)oc12 FC(F)(F)C[*:1] COc1cccc2cc(oc12)C(=O)N(Cc1ccsc1)[*:1]
COc1cccc2cc(C(=O)N(Cc3ccsc3)CC(F)(F)F)oc12 FC(F)(F)[*:1] COc1cccc2cc(oc12)C(=O)N(Cc1ccsc1)C[*:1]
COc1cccc2cc(C(=O)N(Cc3ccsc3)CC(F)(F)F)oc12 c1cc(cs1)[*:1] COc1cccc2cc(oc12)C(=O)N(CC(F)(F)F)C[*:1]
COC(=O)C[C@H]1NCCNC1=O COC(=O)[*:1] O=C1NCCN[C@@H]1C[*:1]
CC(C)c1[nH+]ccn1CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 CC(C)[*:1] FC(F)(F)c1ccc(cc1)C[NH+]1CCC(CC1)Cn1cc[nH+]c1[*:1]
CC(C)c1[nH+]ccn1CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] CC(C)c1[nH+]ccn1CC1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(C)Cc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)[nH]n1 c1ncn(n1)[*:1] CC(C)Cc1cc([nH]n1)C(=O)N1CCC[C@@H](C1)[*:1]
CC(C)Cc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)[nH]n1 CC(C)C[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCC[C@H](C1)n1cncn1
CC(C)Cc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)[nH]n1 CC(C)[*:1] O=C(c1cc(C[*:1])n[nH]1)N1CCC[C@H](C1)n1cncn1
CCOC(=O)c1ccc(N2CCC[C@@H]2c2cc(C)on2)nc1 Cc1cc(no1)[*:1] CCOC(=O)c1ccc(nc1)N1CCC[C@H]1[*:1]
CCOC(=O)c1ccc(N2CCC[C@@H]2c2cc(C)on2)nc1 CCOC(=O)[*:1] Cc1cc(no1)[C@H]1CCCN1c1ccc(cn1)[*:1]
CCCNC(=O)c1cccc(C(=O)NCc2ccc(C(N)=O)o2)c1 CCC[*:1] NC(=O)c1ccc(CNC(=O)c2cccc(c2)C(=O)N[*:1])o1
CCCNC(=O)c1cccc(C(=O)NCc2ccc(C(N)=O)o2)c1 CCCNC(=O)[*:1] NC(=O)c1ccc(CNC(=O)c2cccc(c2)[*:1])o1
CCCNC(=O)c1cccc(C(=O)NCc2ccc(C(N)=O)o2)c1 NC(=O)[*:1] CCCNC(=O)c1cccc(c1)C(=O)NCc1ccc(o1)[*:1]
CCCNC(=O)c1cccc(C(=O)NCc2ccc(C(N)=O)o2)c1 NC(=O)c1ccc(o1)[*:1] CCCNC(=O)c1cccc(c1)C(=O)NC[*:1]
Cc1ccccc1CN(C)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 Cc1ccccc1C[*:1] CN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)[*:1]
Cc1ccccc1CN(C)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 C1CC1[*:1] Cc1ccccc1CN(C)C(=O)CSc1nnc(-c2cccs2)n1[*:1]
Cc1ccccc1CN(C)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)CSc1nnc(-c2cccs2)n1C1CC1
Cc1ccccc1CN(C)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 c1csc(c1)[*:1] Cc1ccccc1CN(C)C(=O)CSc1nnc(n1C1CC1)[*:1]
C[C@@H](Sc1nnnn1C1CC1)C(=O)N[C@@H]1C[C@H]1C C1CC1[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)N[C@@H]1C[C@H]1C
C[C@@H](Sc1nnnn1C1CC1)C(=O)N[C@@H]1C[C@H]1C C[C@@H]1C[C@H]1[*:1] C[C@@H](Sc1nnnn1C1CC1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(C)c2)c1=O c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)c1nn(c(=O)n(Cc2cccc(C)c2)c1=O)[*:1]
CC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(C)c2)c1=O Cc1cccc(c1)[*:1] CC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(=O)n(C[*:1])c1=O
CC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(C)c2)c1=O Cc1cccc(c1)C[*:1] CC[C@@H](C)NC(=O)c1nn(-c2ccccc2)c(=O)n(c1=O)[*:1]
CCNC(=O)c1cc(-c2cccc(OC[C@H]3CCCO3)c2)nc(N)n1 C1CO[C@H](C1)CO[*:1] CCNC(=O)c1cc(nc(N)n1)-c1cccc(c1)[*:1]
CCNC(=O)c1cc(-c2cccc(OC[C@H]3CCCO3)c2)nc(N)n1 C1CO[C@H](C1)C[*:1] CCNC(=O)c1cc(nc(N)n1)-c1cccc(c1)O[*:1]
CCNC(=O)c1cc(-c2cccc(OC[C@H]3CCCO3)c2)nc(N)n1 C1CO[C@H](C1)[*:1] CCNC(=O)c1cc(nc(N)n1)-c1cccc(c1)OC[*:1]
CCNC(=O)c1cc(-c2cccc(OC[C@H]3CCCO3)c2)nc(N)n1 CCNC(=O)[*:1] Nc1nc(cc(n1)[*:1])-c1cccc(c1)OC[C@H]1CCCO1
O=S(=O)(Nc1cc(F)ccc1F)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=S(=O)(Nc1cc(F)ccc1F)c1ccccc1[*:1]
CCO[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2ccccc2OC)cs1 CCO[*:1] COc1ccccc1-c1csc(n1)NC(=O)[C@H]1C[C@H]1[*:1]
O=C(Cc1csc(-c2cnccn2)n1)NC1(c2ccc(Cl)cc2)CCC1 Clc1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1cnccn1)NC1(CCC1)[*:1]
O=C(Cc1csc(-c2cnccn2)n1)NC1(c2ccc(Cl)cc2)CCC1 c1cnc(cn1)[*:1] O=C(Cc1csc(n1)[*:1])NC1(CCC1)c1ccc(Cl)cc1
Cc1c(C(=O)NCCc2ccc(OC(F)(F)F)cc2)sc2nc3n(c(=O)c12)CCCCC3 FC(F)(F)[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)NCCc1ccc(cc1)O[*:1]
Cc1c(C(=O)NCCc2ccc(OC(F)(F)F)cc2)sc2nc3n(c(=O)c12)CCCCC3 FC(F)(F)O[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)NCCc1ccc(cc1)[*:1]
C=CCNC(=O)NC(=O)[C@H](C)Nc1cccc(CC)c1 C=CC[*:1] CCc1cccc(c1)N[C@@H](C)C(=O)NC(=O)N[*:1]
O=C(NCC[C@@H](O)c1cccs1)C(=O)NCc1ccccc1 c1csc(c1)[*:1] O=C(NCC[C@@H](O)[*:1])C(=O)NCc1ccccc1
O=C(NCC[C@@H](O)c1cccs1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCC[C@@H](O)c1cccs1)C(=O)N[*:1]
O=C(NCC[C@@H](O)c1cccs1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[C@@H](O)c1cccs1)C(=O)NC[*:1]
Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](C)Cc4c[nH]c5ccccc45)c(C)c3cc12 c1ccc2c(c[nH]c2c1)C[*:1] Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](C)[*:1])c(C)c3cc12
Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](C)Cc4c[nH]c5ccccc45)c(C)c3cc12 c1ccc2c(c[nH]c2c1)[*:1] Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](C)C[*:1])c(C)c3cc12
Cc1cnc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cn1 Cc1cnc(cn1)[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)[*:1]
CN(C(=O)c1cc(N2CCNC2=O)ccc1Cl)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)c1cc(ccc1Cl)N1CCNC1=O)[*:1]
CN(C(=O)c1cc(N2CCNC2=O)ccc1Cl)C1CCOCC1 O=C1NCCN1[*:1] CN(C(=O)c1cc(ccc1Cl)[*:1])C1CCOCC1
N#CCS(=O)(=O)NC[C@H]1CC[C@H](C(=O)[O-])O1 N#CC[*:1] O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)[*:1])O1
N#CCS(=O)(=O)NC[C@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] N#CCS(=O)(=O)NC[C@H]1CC[C@H](O1)[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccn2)cc1 Cc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1[*:1])c1ccccc1
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccn2)cc1 O=C(c1ccccc1)[*:1] Cc1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1c1ccccn1)[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccn2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1ccccn1
NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 NC(=O)C[*:1] O=C1[C@@H]2[C@H](C[*:1])N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1Cc1ccc(F)cc1
NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 NC(=O)CC[*:1] O=C1[C@@H]2[C@@H](N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1Cc1ccc(F)cc1)[*:1]
NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 Fc1ccc(cc1)C[*:1] NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 NC(=O)[*:1] O=C1[C@@H]2[C@H](CC[*:1])N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1Cc1ccc(F)cc1
NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 Fc1ccc(cc1)[*:1] NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
CCO[C@H]1CCCN(C(=O)N[C@H]2CCc3c(Br)cccc32)C1 CCO[*:1] O=C(N[C@H]1CCc2c(Br)cccc21)N1CCC[C@@H](C1)[*:1]
CC(=O)N[C@H](CC(=O)N(C(C)C)C1CCOCC1)c1ccccc1 CC(=O)N[*:1] CC(C)N(C(=O)C[C@H](c1ccccc1)[*:1])C1CCOCC1
CC(=O)N[C@H](CC(=O)N(C(C)C)C1CCOCC1)c1ccccc1 C1CC(CCO1)[*:1] CC(=O)N[C@H](CC(=O)N(C(C)C)[*:1])c1ccccc1
CC(=O)N[C@H](CC(=O)N(C(C)C)C1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N(C(C)C)C1CCOCC1)[*:1]
CC(=O)N[C@H](CC(=O)N(C(C)C)C1CCOCC1)c1ccccc1 CC(C)[*:1] CC(=O)N[C@H](CC(=O)N(C1CCOCC1)[*:1])c1ccccc1
COc1ccc([C@H](C(C)C)N(C(C)=O)[C@@H]2CCOC(C)(C)C2)cc1 COc1ccc(cc1)[*:1] CC(=O)N([C@@H](C(C)C)[*:1])[C@@H]1CCOC(C)(C)C1
COc1ccc([C@H](C(C)C)N(C(C)=O)[C@@H]2CCOC(C)(C)C2)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](N(C(C)=O)[C@@H]1CCOC(C)(C)C1)[*:1]
O=C1CCN(C2CC2)c2cc[nH+]cc2N1 C1CC1[*:1] O=C1CCN(c2cc[nH+]cc2N1)[*:1]
COC[C@@H](C)N1CC[NH+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)CC1 CC(=O)N[*:1] COC[C@@H](C)N1CC[NH+](CC1)Cc1cc(=O)oc2cc(ccc12)[*:1]
COC[C@@H](C)N1CC[NH+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)CC1 COC[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)C[NH+]1CCN(CC1)[C@H](C)[*:1]
COC[C@@H](C)N1CC[NH+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)CC1 COC[C@@H](C)[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)C[NH+]1CCN(CC1)[*:1]
CCCOc1ccc(C[NH+]2CCC(c3n[nH]c(C)n3)CC2)cc1OC CCCO[*:1] COc1cc(ccc1[*:1])C[NH+]1CCC(CC1)c1n[nH]c(C)n1
CCCOc1ccc(C[NH+]2CCC(c3n[nH]c(C)n3)CC2)cc1OC CCC[*:1] COc1cc(ccc1O[*:1])C[NH+]1CCC(CC1)c1n[nH]c(C)n1
CCCOc1ccc(C[NH+]2CCC(c3n[nH]c(C)n3)CC2)cc1OC Cc1nc(n[nH]1)[*:1] CCCOc1ccc(cc1OC)C[NH+]1CCC(CC1)[*:1]
CCCOc1ccc2cc(C(=O)NC(C)(C)C)c(=O)oc2c1 CCCO[*:1] CC(C)(C)NC(=O)c1cc2ccc(cc2oc1=O)[*:1]
CCCOc1ccc2cc(C(=O)NC(C)(C)C)c(=O)oc2c1 CCC[*:1] CC(C)(C)NC(=O)c1cc2ccc(cc2oc1=O)O[*:1]
CCCOc1ccc2cc(C(=O)NC(C)(C)C)c(=O)oc2c1 CC(C)(C)NC(=O)[*:1] CCCOc1ccc2cc(c(=O)oc2c1)[*:1]
CCCOc1ccc2cc(C(=O)NC(C)(C)C)c(=O)oc2c1 CC(C)(C)[*:1] CCCOc1ccc2cc(C(=O)N[*:1])c(=O)oc2c1
COc1ccc(Cl)c(C[C@H]([NH3+])C(=O)[O-])c1F O=C([O-])[*:1] COc1ccc(Cl)c(C[C@H]([NH3+])[*:1])c1F
BrCC[C@@H]1OCCc2ccccc21 BrCC[*:1] c1ccc2c(c1)CCO[C@H]2[*:1]
C/C(=C/C(=O)NC[C@@](C)(O)c1cnn(C)c1)c1ccccc1F Cn1cc(cn1)[*:1] C/C(=C/C(=O)NC[C@@](C)(O)[*:1])c1ccccc1F
C/C(=C/C(=O)NC[C@@](C)(O)c1cnn(C)c1)c1ccccc1F Fc1ccccc1[*:1] CC(=CC(=O)NC[C@@](C)(O)c1cnn(C)c1)[*:1]
C/C(=C\C(=O)NCc1nc(-c2ccco2)n[nH]1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)NCc1nc(n[nH]1)-c1ccco1)[*:1]
C/C(=C\C(=O)NCc1nc(-c2ccco2)n[nH]1)C(C)(C)C c1coc(c1)[*:1] C/C(=C\C(=O)NCc1nc(n[nH]1)[*:1])C(C)(C)C
C/C(=C\C(=O)NCc1nc(-c2ccco2)n[nH]1)C(C)(C)C CC(=C[*:1])C(C)(C)C O=C(NCc1nc(n[nH]1)-c1ccco1)[*:1]
Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 Cc1cccc(c1)O[*:1] O=C(CCl)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1[*:1]
Cc1cccc(Oc2ccc(Cl)cc2N2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 Cc1cccc(c1)[*:1] O=C(CCl)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1O[*:1]
CC(C)OCC[NH+]1CCN(CCn2cncn2)CC1 CC(C)OC[*:1] c1ncn(CCN2CC[NH+](CC2)C[*:1])n1
CC(C)OCC[NH+]1CCN(CCn2cncn2)CC1 CC(C)O[*:1] c1ncn(CCN2CC[NH+](CC2)CC[*:1])n1
CC(C)OCC[NH+]1CCN(CCn2cncn2)CC1 c1ncn(C[*:1])n1 CC(C)OCC[NH+]1CCN(CC1)C[*:1]
CC(C)OCC[NH+]1CCN(CCn2cncn2)CC1 CC(C)OCC[*:1] c1ncn(CCN2CC[NH+](CC2)[*:1])n1
CC(C)OCC[NH+]1CCN(CCn2cncn2)CC1 CC(C)[*:1] c1ncn(CCN2CC[NH+](CCO[*:1])CC2)n1
CC(C)OCC[NH+]1CCN(CCn2cncn2)CC1 c1ncn(n1)[*:1] CC(C)OCC[NH+]1CCN(CC1)CC[*:1]
COCc1nc(C)c(C(=O)N[C@H]2CCCc3ccc(F)cc32)s1 COC[*:1] Cc1nc(sc1C(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
CCc1ccc(NC(=O)N2CCN(Cc3ccc4nccnc4c3)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)Cc1ccc2nccnc2c1
CCOC(CNC(=O)[C@H]1C[NH2+]C[C@@H]1C)OCC CCO[*:1] CCOC(CNC(=O)[C@H]1C[NH2+]C[C@@H]1C)[*:1]
FC(F)(F)c1csc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 C1CO[C@@H](C1)C[*:1] FC(F)(F)c1csc(CN([C@@H]2CCSC2)[*:1])n1
FC(F)(F)c1csc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 C1CO[C@@H](C1)[*:1] FC(F)(F)c1csc(CN(C[*:1])[C@@H]2CCSC2)n1
FC(F)(F)c1csc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 FC(F)(F)[*:1] c1sc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)nc1[*:1]
FC(F)(F)c1csc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)n1 C1C[C@H](CS1)[*:1] FC(F)(F)c1csc(CN(C[C@@H]2CCCO2)[*:1])n1
CC[C@H](Nc1ccc(CC(N)=O)cc1)c1ccccc1 NC(=O)[*:1] CC[C@H](Nc1ccc(cc1)C[*:1])c1ccccc1
CC[C@H](Nc1ccc(CC(N)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](Nc1ccc(cc1)CC(N)=O)[*:1]
CC[C@H](Nc1ccc(CC(N)=O)cc1)c1ccccc1 NC(=O)C[*:1] CC[C@H](Nc1ccc(cc1)[*:1])c1ccccc1
CCN(CC)C(=O)N[C@@H](c1ccccc1)C(C)(C)C c1ccc(cc1)[*:1] CCN(CC)C(=O)N[C@@H](C(C)(C)C)[*:1]
CCN(CC)C(=O)N[C@@H](c1ccccc1)C(C)(C)C CC(C)(C)[*:1] CCN(CC)C(=O)N[C@@H](c1ccccc1)[*:1]
CN(C)C(=O)C(C)(C)[NH2+]CC(=O)NC(=O)NCC(F)(F)F FC(F)(F)C[*:1] CN(C)C(=O)C(C)(C)[NH2+]CC(=O)NC(=O)N[*:1]
CN(C)C(=O)C(C)(C)[NH2+]CC(=O)NC(=O)NCC(F)(F)F FC(F)(F)[*:1] CN(C)C(=O)C(C)(C)[NH2+]CC(=O)NC(=O)NC[*:1]
CN(C)C(=O)C(C)(C)[NH2+]CC(=O)NC(=O)NCC(F)(F)F CN(C)C(=O)[*:1] CC(C)([NH2+]CC(=O)NC(=O)NCC(F)(F)F)[*:1]
O=C(Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(Br)cc1)N[C@@H](C(=O)N1CCCCC1)[*:1]
O=C(Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)[*:1]
O=C(Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cc1)N[C@@H](C[*:1])C(=O)N1CCCCC1
O=C(Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 Brc1ccc(cc1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N[*:1]
CC(C)(CNC(=O)c1cnc(Oc2ccccc2)cn1)C(N)=O CC(C)(C(N)=O)[*:1] O=C(NC[*:1])c1cnc(cn1)Oc1ccccc1
CC(C)(CNC(=O)c1cnc(Oc2ccccc2)cn1)C(N)=O NC(=O)[*:1] CC(C)(CNC(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
CC(C)(CNC(=O)c1cnc(Oc2ccccc2)cn1)C(N)=O CC(C)(C[*:1])C(N)=O O=C(N[*:1])c1cnc(cn1)Oc1ccccc1
CC(C)(CNC(=O)c1cnc(Oc2ccccc2)cn1)C(N)=O c1ccc(cc1)O[*:1] CC(C)(CNC(=O)c1cnc(cn1)[*:1])C(N)=O
CC(C)(CNC(=O)c1cnc(Oc2ccccc2)cn1)C(N)=O c1ccc(cc1)[*:1] CC(C)(CNC(=O)c1cnc(cn1)O[*:1])C(N)=O
Cc1ccc(NC(=O)[C@H]2C(=O)N[C@]3(C)C[C@H]2c2ccccc2O3)cc1 Cc1ccc(cc1)[*:1] C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)N2)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)NCCc2ccsc2)c2ccccc2n1 c1cc(cs1)C[*:1] Cc1cc(NC(=O)C(=O)NC[*:1])c2ccccc2n1
Cc1cc(NC(=O)C(=O)NCCc2ccsc2)c2ccccc2n1 c1cc(cs1)CC[*:1] Cc1cc(NC(=O)C(=O)N[*:1])c2ccccc2n1
Cc1cc(NC(=O)C(=O)NCCc2ccsc2)c2ccccc2n1 c1cc(cs1)[*:1] Cc1cc(NC(=O)C(=O)NCC[*:1])c2ccccc2n1
Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4cccs4)C3)c2)cs1 c1csc(c1)[*:1] Cc1nc(cs1)-c1cccc(c1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4cccs4)C3)c2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CCCN(C1)C(=O)Nc1cccs1
CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CC[C@@H](C1)C[NH+]1CCCCC1
O=C(C[NH+]1CCS(=O)(=O)CC1)N/N=C/c1cccs1 c1csc(c1)[*:1] O=C(C[NH+]1CCS(=O)(=O)CC1)NN=C[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 CC(C)(C)[*:1] O=C(Nc1ccc(Br)cc1F)C1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CCNC(=O)C(C)(C)C CC(C)(C)[*:1] Cc1cc(ccc1NC(=O)CCNC(=O)[*:1])C(=O)N1CCC[C@@H](C)C1
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CCNC(=O)C(C)(C)C CC(C)(C)C(=O)NC[*:1] Cc1cc(ccc1NC(=O)C[*:1])C(=O)N1CCC[C@@H](C)C1
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CCNC(=O)C(C)(C)C CC(C)(C)C(=O)N[*:1] Cc1cc(ccc1NC(=O)CC[*:1])C(=O)N1CCC[C@@H](C)C1
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CCNC(=O)C(C)(C)C C[C@@H]1CCCN(C1)C(=O)[*:1] Cc1cc(ccc1NC(=O)CCNC(=O)C(C)(C)C)[*:1]
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)CCNC(=O)C(C)(C)C CC(C)(C)C(=O)NCC[*:1] Cc1cc(ccc1NC(=O)[*:1])C(=O)N1CCC[C@@H](C)C1
CC(C)CCC(=O)NNC(=O)N1CC[C@H](C)C[C@@H]1C CC(C)C[*:1] C[C@H]1CCN(C(=O)NNC(=O)C[*:1])[C@@H](C)C1
CC(C)CCC(=O)NNC(=O)N1CC[C@H](C)C[C@@H]1C CC(C)[*:1] C[C@H]1CCN(C(=O)NNC(=O)CC[*:1])[C@@H](C)C1
CC(C)CCC(=O)NNC(=O)N1CC[C@H](C)C[C@@H]1C CC(C)CC[*:1] C[C@H]1CCN(C(=O)NNC(=O)[*:1])[C@@H](C)C1
COC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] COC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
COC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 COC[*:1] C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)C(C)(C)C)[*:1]
COC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 COC[C@H](C)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[*:1]
O=C(O[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccnc1)C1=Cc2ccccc2OC1 C1CO[C@@H](C1)[*:1] O=C(O[C@@H](C(=O)NC[*:1])c1cccnc1)C1=Cc2ccccc2OC1
O=C(O[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccnc1)C1=Cc2ccccc2OC1 C1CO[C@@H](C1)C[*:1] O=C(O[C@@H](C(=O)N[*:1])c1cccnc1)C1=Cc2ccccc2OC1
O=C(O[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccnc1)C1=Cc2ccccc2OC1 O=C(NC[C@@H]1CCCO1)[*:1] O=C(O[C@@H](c1cccnc1)[*:1])C1=Cc2ccccc2OC1
O=C(O[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccnc1)C1=Cc2ccccc2OC1 c1cncc(c1)[*:1] O=C(O[C@@H](C(=O)NC[C@@H]1CCCO1)[*:1])C1=Cc2ccccc2OC1
CC(C)CCNc1ncc([N+](=O)[O-])c(N)n1 CC(C)C[*:1] Nc1nc(ncc1[N+](=O)[O-])NC[*:1]
CC(C)CCNc1ncc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] CC(C)CCNc1ncc(c(N)n1)[*:1]
CC(C)CCNc1ncc([N+](=O)[O-])c(N)n1 CC(C)CC[*:1] Nc1nc(ncc1[N+](=O)[O-])N[*:1]
CC(C)CCNc1ncc([N+](=O)[O-])c(N)n1 CC(C)[*:1] Nc1nc(ncc1[N+](=O)[O-])NCC[*:1]
O=Cc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] O=Cc1ccc(cc1)C(=O)OCC(=O)N[*:1]
O=Cc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] O=Cc1ccc(cc1)C(=O)OCC(=O)NC[*:1]
O=C(Nc1ccccc1F)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 Fc1ccccc1[*:1] O=C(N[*:1])c1ccc(cc1)-n1nncc1-c1ccc(Cl)cc1
O=C(Nc1ccccc1F)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1F)c1ccc(cc1)-n1nncc1[*:1]
Cc1ccc(NC(=O)[C@@H]2C=C(c3ccncc3)N=N2)cc1C c1cc(ccn1)[*:1] Cc1ccc(cc1C)NC(=O)[C@@H]1C=C(N=N1)[*:1]
Cc1ccc([C@H](C)[NH2+]C[C@H](O)COC2CCCC2)cc1F C1CCC(C1)OC[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+]C[C@H](O)[*:1]
Cc1ccc([C@H](C)[NH2+]C[C@H](O)COC2CCCC2)cc1F C1CCC(C1)O[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+]C[C@H](O)C[*:1]
Cc1ccc([C@H](C)[NH2+]C[C@H](O)COC2CCCC2)cc1F C1CCC(C1)[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+]C[C@H](O)CO[*:1]
CC(C)[NH2+][C@@H](C(=O)[O-])c1c[nH]c2ccc(Br)cc12 O=C([O-])[*:1] CC(C)[NH2+][C@@H](c1c[nH]c2ccc(Br)cc12)[*:1]
CC(C)[NH2+][C@@H](C(=O)[O-])c1c[nH]c2ccc(Br)cc12 CC(C)[*:1] O=C([O-])[C@H]([NH2+][*:1])c1c[nH]c2ccc(Br)cc12
Cc1ccc(O[C@H](C)C(=O)NC2CC2)c(C)c1 C1CC1[*:1] Cc1ccc(O[C@H](C)C(=O)N[*:1])c(C)c1
CC(=O)N[C@@H](C)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] CC(=O)N[C@@H](C)C(=O)NCc1ccccc1-c1ccc(cc1)C[*:1]
CC(=O)N[C@@H](C)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 CC(=O)N[*:1] C[C@@H](C(=O)NCc1ccccc1-c1ccc(cc1)CN1CCCC1=O)[*:1]
CC(=O)N[C@@H](C)C(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] CC(=O)N[C@@H](C)C(=O)NCc1ccccc1-c1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3S2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3S2)c(c1)[*:1]
Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 Cc1noc(C)c1[*:1] O=C(C[*:1])N1CCC[C@@H]1c1nc2ccccc2s1
Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 Cc1noc(C)c1C[*:1] O=C(N1CCC[C@@H]1c1nc2ccccc2s1)[*:1]
CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@@H](n2cc(Cl)c(C)n2)C1 Cc1nn(cc1Cl)[*:1] CCOC(=O)[C@@]1(CC[C@@H](C1)[*:1])[NH2+]C(C)C
CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@@H](n2cc(Cl)c(C)n2)C1 CCOC(=O)[*:1] Cc1nn(cc1Cl)[C@@H]1CC[C@](C1)([NH2+]C(C)C)[*:1]
CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@@H](n2cc(Cl)c(C)n2)C1 CC(C)[*:1] CCOC(=O)[C@@]1(CC[C@H](C1)n1cc(Cl)c(C)n1)[NH2+][*:1]
Cc1c(C(=O)Nc2ncc(Cl)cc2Cl)oc2c1C1(CCC2)SCCS1 Clc1cnc(c(Cl)c1)[*:1] Cc1c(oc2CCCC3(SCCS3)c21)C(=O)N[*:1]
CCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[*:1]
C[C@H](NC(=O)N1CCC2(CCCCC2)C1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)N1CCC2(CCCCC2)C1)c1nc(no1)[*:1]
CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(CCl)cn1 CS(=O)(=O)[*:1] CN(CC[*:1])S(=O)(=O)c1ccc(cn1)CCl
CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(CCl)cn1 CS(=O)(=O)CC[*:1] CN(S(=O)(=O)c1ccc(cn1)CCl)[*:1]
CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(CCl)cn1 CS(=O)(=O)C[*:1] CN(C[*:1])S(=O)(=O)c1ccc(cn1)CCl
Cc1csc(NC(=O)CN[C@H](C2CCCC2)C(F)(F)F)n1 Cc1csc(n1)[*:1] O=C(CN[C@H](C1CCCC1)C(F)(F)F)N[*:1]
Cc1csc(NC(=O)CN[C@H](C2CCCC2)C(F)(F)F)n1 FC(F)(F)[*:1] Cc1csc(n1)NC(=O)CN[C@H](C1CCCC1)[*:1]
Cc1csc(NC(=O)CN[C@H](C2CCCC2)C(F)(F)F)n1 C1CCC(C1)[*:1] Cc1csc(n1)NC(=O)CN[C@H](C(F)(F)F)[*:1]
OC/C=C/c1cn2ccccc2n1 OCC=C[*:1] c1ccn2cc(nc2c1)[*:1]
Cc1cccc([C@@H]2C(=O)NC(=O)C[C@@H]2C2CCOCC2)c1 Cc1cccc(c1)[*:1] O=C1C[C@H](C2CCOCC2)[C@@H](C(=O)N1)[*:1]
Cc1cccc([C@@H]2C(=O)NC(=O)C[C@@H]2C2CCOCC2)c1 C1CC(CCO1)[*:1] Cc1cccc(c1)[C@@H]1C(=O)NC(=O)C[C@H]1[*:1]
O=c1occ(CN2CCN(c3ccccc3)CC2)c([O-])c1CN1CCOCC1 C1CN(CCO1)[*:1] O=c1occ(CN2CCN(CC2)c2ccccc2)c([O-])c1C[*:1]
O=c1occ(CN2CCN(c3ccccc3)CC2)c([O-])c1CN1CCOCC1 c1ccc(cc1)[*:1] O=c1occ(CN2CCN(CC2)[*:1])c([O-])c1CN1CCOCC1
O=c1occ(CN2CCN(c3ccccc3)CC2)c([O-])c1CN1CCOCC1 C1CN(CCO1)C[*:1] O=c1occ(CN2CCN(CC2)c2ccccc2)c([O-])c1[*:1]
COC(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 c1nnnn1[*:1] COC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
COC(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)-n1cnnn1
C[C@H]1CCc2nc3ncn(CC(=O)NCc4cccc(F)c4)c(=O)c3cc2C1 Fc1cccc(c1)C[*:1] C[C@H]1CCc2nc3ncn(CC(=O)N[*:1])c(=O)c3cc2C1
C[C@H]1CCc2nc3ncn(CC(=O)NCc4cccc(F)c4)c(=O)c3cc2C1 Fc1cccc(c1)[*:1] C[C@H]1CCc2nc3ncn(CC(=O)NC[*:1])c(=O)c3cc2C1
CSc1ccc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cn1 CSc1ccc(cn1)[*:1] O=C(N1CCC[C@@H]1c1cccc2OCCOc21)[*:1]
CCn1ncc(CNCc2ccccc2C(F)(F)F)c1C FC(F)(F)[*:1] CCn1ncc(CNCc2ccccc2[*:1])c1C
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc4c3C(=O)NC4=O)C2)cc1 COc1ccc(cc1)[*:1] O=C1NC(=O)c2c(cccc21)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)Cc1csc(N2CCNC2=O)n1 O=C1NCCN1[*:1] C[C@H](c1ccccn1)N(C)C(=O)Cc1csc(n1)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)Cc1csc(N2CCNC2=O)n1 c1ccc(nc1)[*:1] C[C@H](N(C)C(=O)Cc1csc(n1)N1CCNC1=O)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)Cc1csc(N2CCNC2=O)n1 C[C@H](c1ccccn1)[*:1] CN(C(=O)Cc1csc(n1)N1CCNC1=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N(C)CC(=O)NC(C)C c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)C(=O)N(C)CC(=O)NC(C)C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N(C)CC(=O)NC(C)C CC(C)NC(=O)C[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N(C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N(C)CC(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N(C)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N(C)CC(=O)NC(C)C CC(C)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N(C)CC(=O)N[*:1]
CCC[NH2+][C@H](c1cccc(OC)c1)c1cscc1Br Brc1cscc1[*:1] CCC[NH2+][C@H](c1cccc(c1)OC)[*:1]
CCC[NH2+][C@H](c1cccc(OC)c1)c1cscc1Br CCC[*:1] COc1cccc(c1)[C@@H]([NH2+][*:1])c1cscc1Br
CCC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCN(c5cccc(OC)c5)CC4)cc3)ccc21 COc1cccc(c1)[*:1] CCC(=O)N1CCc2cc(ccc21)-c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
O=C(Cc1cccs1)N1CC[NH+](Cc2nnnn2-c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Cc1cccs1)N1CC[NH+](CC1)Cc1nnnn1[*:1]
O=C(Cc1cccs1)N1CC[NH+](Cc2nnnn2-c2ccc(Cl)cc2)CC1 c1csc(c1)[*:1] O=C(C[*:1])N1CC[NH+](CC1)Cc1nnnn1-c1ccc(Cl)cc1
O=C(Cc1cccs1)N1CC[NH+](Cc2nnnn2-c2ccc(Cl)cc2)CC1 c1csc(c1)C[*:1] O=C(N1CC[NH+](CC1)Cc1nnnn1-c1ccc(Cl)cc1)[*:1]
CCc1ccc([C@H](C)CC(=O)Nc2nonc2C)cc1 Cc1nonc1[*:1] CCc1ccc(cc1)[C@H](C)CC(=O)N[*:1]
CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2c(C)noc2C)C1 Cc1noc(C)c1[*:1] CCS[C@@H]1CCC[C@@H](C1)NC(=O)N[C@@H](C)[*:1]
CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2c(C)noc2C)C1 CCS[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N[C@H]1CCC[C@H](C1)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)CCC(=O)OC)c1 COC(=O)C[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)C[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)CCC(=O)OC)c1 COC(=O)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)CC[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)CCC(=O)OC)c1 COC(=O)CC[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)CCC(=O)OC)c1 CNC(=O)[*:1] COC(=O)CCC(=O)Nc1cc(ccc1Cl)[*:1]
Nn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCC(=O)N1CCCCC1
CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CN(CCCc1cc(n[nH]1)-c1ccccc1)C(=O)C[*:1]
CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cc1ccc(F)cc1F c1ccc(cc1)[*:1] CN(CCCc1cc(n[nH]1)[*:1])C(=O)Cc1ccc(F)cc1F
CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cc1ccc(F)cc1F Fc1ccc(C[*:1])c(F)c1 CN(CCCc1cc(n[nH]1)-c1ccccc1)C(=O)[*:1]
CS[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)OC(C)C)CC1 CC(C)[*:1] CS[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC1)C(=O)O[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)O[C@@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)O[C@@H](C)[*:1]
CCC(=O)N1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)[NH2+]C[C@H](O)[*:1]
CCC(CC)([C@H]([NH3+])Cc1c(Br)c(C)nn1C)N(C)C CN(C)[*:1] CCC(CC)([C@H]([NH3+])Cc1c(Br)c(C)nn1C)[*:1]
Cc1cc(C=O)ccc1OCCOC(C)C CC(C)OC[*:1] Cc1cc(C=O)ccc1OC[*:1]
Cc1cc(C=O)ccc1OCCOC(C)C CC(C)O[*:1] Cc1cc(C=O)ccc1OCC[*:1]
Cc1cc(C=O)ccc1OCCOC(C)C CC(C)[*:1] Cc1cc(C=O)ccc1OCCO[*:1]
NC(=O)NCc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 NC(=O)NC[*:1] O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(cc1)[*:1]
NC(=O)NCc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 c1ccc(cc1)[*:1] NC(=O)NCc1ccc(cc1)C(=O)Nc1nnc(C[*:1])s1
NC(=O)NCc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 NC(=O)N[*:1] O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(cc1)C[*:1]
NC(=O)NCc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 c1ccc(cc1)C[*:1] NC(=O)NCc1ccc(cc1)C(=O)Nc1nnc(s1)[*:1]
C[C@@]1(c2ccccc2)NC(=O)N(CCc2ccccn2)C1=O c1ccc(C[*:1])nc1 C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
C[C@@]1(c2ccccc2)NC(=O)N(CCc2ccccn2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CCc2ccccn2)C1=O)[*:1]
C[C@@]1(c2ccccc2)NC(=O)N(CCc2ccccn2)C1=O c1ccc(nc1)[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H]2CCCNC2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1C(=O)N[C@@H]1CCCNC1=O)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H]2CCCNC2=O)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H]1CCCNC1=O)c1cn(nc1[*:1])-c1ccccc1
COc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1ccnc(n1)N[*:1]
COc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1 c1ccc(cc1)N[*:1] COc1ccc(cc1)-c1ccnc(n1)[*:1]
C[C@@H](NC(=O)c1scnc1C1CC1)C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)c1scnc1C1CC1)[*:1]
C[C@@H](NC(=O)c1scnc1C1CC1)C(N)=O C1CC1[*:1] C[C@@H](NC(=O)c1scnc1[*:1])C(N)=O
C[C@@H](NC(=O)c1scnc1C1CC1)C(N)=O C[C@@H](C(N)=O)[*:1] O=C(N[*:1])c1scnc1C1CC1
Cc1ccc([C@H]([NH3+])Cn2cccn2)cc1 c1cnn(c1)[*:1] Cc1ccc(cc1)[C@H]([NH3+])C[*:1]
O=C(NCc1cc(Br)cs1)NC[C@@H](O)c1ccco1 c1coc(c1)[*:1] O=C(NCc1cc(Br)cs1)NC[C@@H](O)[*:1]
O=C(NCc1cc(Br)cs1)NC[C@@H](O)c1ccco1 Brc1csc(c1)[*:1] O=C(NC[C@@H](O)c1ccco1)NC[*:1]
COc1cc([C@@H]2N=C3C=NN(Cc4cccs4)[C@@H]3N2)ccc1O c1csc(c1)[*:1] COc1cc(ccc1O)[C@@H]1N=C2C=NN(C[*:1])[C@@H]2N1
COc1cc([C@@H]2N=C3C=NN(Cc4cccs4)[C@@H]3N2)ccc1O c1csc(c1)C[*:1] COc1cc(ccc1O)[C@@H]1N=C2C=NN([C@@H]2N1)[*:1]
CC1(C)CCC[C@@H](S(=O)(=O)C2CCCCC2)[C@H]1[NH3+] C1CCC(CC1)[*:1] CC1(C)CCC[C@H]([C@H]1[NH3+])S(=O)(=O)[*:1]
Cc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C(=O)[O-])cc3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(-c2nncc(n2)[*:1])c2NC(=O)C[C@H](c3ccc(cc3)C(=O)[O-])c12
Cc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C(=O)[O-])cc3)n2)cc1 O=C([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cnnc(n1)-n1nc(C)c2c1NC(=O)C[C@H]2[*:1]
Cc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C(=O)[O-])cc3)n2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1cnnc(n1)-n1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(cc1)[*:1]
C[C@]12C[C@H](NC(=S)N1c1cccc(Cl)c1)c1cccc(Cl)c1O2 Clc1cccc(c1)[*:1] C[C@]12C[C@H](NC(=S)N1[*:1])c1cccc(Cl)c1O2
COc1ccc(C)cc1NC(=O)C(=O)NCC1CC[NH+](Cc2cc(C)oc2C)CC1 COc1ccc(C)cc1[*:1] Cc1cc(C[NH+]2CCC(CC2)CNC(=O)C(=O)N[*:1])c(C)o1
COc1ccc(C)cc1NC(=O)C(=O)NCC1CC[NH+](Cc2cc(C)oc2C)CC1 Cc1cc(c(C)o1)[*:1] COc1ccc(C)cc1NC(=O)C(=O)NCC1CC[NH+](CC1)C[*:1]
CCC[NH2+][C@@H](Cc1cccc(F)c1F)c1ccoc1C Cc1occc1[*:1] CCC[NH2+][C@@H](Cc1cccc(F)c1F)[*:1]
CCC[NH2+][C@@H](Cc1cccc(F)c1F)c1ccoc1C CCC[*:1] Cc1occc1[C@H](Cc1cccc(F)c1F)[NH2+][*:1]
O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1Sc2ccc(cc2NC1=O)C(F)(F)F)NCC[*:1]
O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@@H]1Sc2ccc(cc2NC1=O)C(F)(F)F)NC[*:1]
O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCCc1ccccc1 FC(F)(F)[*:1] O=C(C[C@@H]1Sc2ccc(cc2NC1=O)[*:1])NCCc1ccccc1
O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(C[C@@H]1Sc2ccc(cc2NC1=O)C(F)(F)F)N[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@H](CO)c3ccc(Cl)cc3)cc12 Clc1ccc(cc1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@H](CO)[*:1]
COc1cccc(OCCNC(=O)Nc2nnc(C)s2)c1 Cc1nnc(s1)[*:1] COc1cccc(c1)OCCNC(=O)N[*:1]
COC(=O)[C@@H]1C[C@H](O)CN1Cc1c(C#N)c(C)nn1-c1ccccc1 COC(=O)[*:1] Cc1nn(-c2ccccc2)c(CN2C[C@@H](O)C[C@H]2[*:1])c1C#N
COC(=O)[C@@H]1C[C@H](O)CN1Cc1c(C#N)c(C)nn1-c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H]1C[C@H](O)CN1Cc1c(C#N)c(C)nn1[*:1]
CCCc1nc(C(=O)NCc2ccc(F)cc2)n[nH]1 CCC[*:1] O=C(NCc1ccc(F)cc1)c1n[nH]c(n1)[*:1]
COc1cccc2c1OC[C@@H](C(=O)NCCCn1nc(C)nc1C)C2 Cc1nc(C)n(n1)[*:1] COc1cccc2C[C@@H](COc21)C(=O)NCCC[*:1]
COc1cccc2c1OC[C@@H](C(=O)NCCCn1nc(C)nc1C)C2 Cc1nc(C)n(C[*:1])n1 COc1cccc2C[C@@H](COc21)C(=O)NCC[*:1]
Cc1ccc(-n2c(N)c(C(=O)NCCc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1c(N)c(C(=O)NC[*:1])c2nc3ccccc3nc21
Cc1ccc(-n2c(N)c(C(=O)NCCc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 Cc1ccc(cc1)[*:1] Nc1c(C(=O)NCCc2ccc(F)cc2)c2nc3ccccc3nc2n1[*:1]
Cc1ccc(-n2c(N)c(C(=O)NCCc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 Fc1ccc(cc1)CC[*:1] Cc1ccc(cc1)-n1c(N)c(C(=O)N[*:1])c2nc3ccccc3nc21
Cc1ccc(-n2c(N)c(C(=O)NCCc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(N)c(C(=O)NCC[*:1])c2nc3ccccc3nc21
CC(C)[C@H](CO)NC(=O)CCC1CC[NH2+]CC1 CC(C)[*:1] O=C(CCC1CC[NH2+]CC1)N[C@@H](CO)[*:1]
O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCC[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCC[C@@H]1[*:1]
CCn1cc(S(=O)(=O)N2CCc3cccc(F)c32)c([N+](=O)[O-])n1 O=[N+]([O-])[*:1] CCn1cc(c(n1)[*:1])S(=O)(=O)N1CCc2cccc(F)c21
CCS(=O)(=O)CCN(C)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 CCS(=O)(=O)[*:1] C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)CC[*:1]
CCS(=O)(=O)CCN(C)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 CCS(=O)(=O)C[*:1] C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)C[*:1]
CCS(=O)(=O)CCN(C)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 CCS(=O)(=O)CC[*:1] C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 CC(C)[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)Cc1csc2nc(cn12)-c1ccccc1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 c1ccc(cc1)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)NC(=O)Cc1csc2nc(cn12)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 CC(C)N(C)S(=O)(=O)[*:1] O=C(Cc1csc2nc(cn12)-c1ccccc1)Nc1ccc(cc1)[*:1]
CCN(CCC#N)C(=O)c1ccc(Br)s1 N#CCC[*:1] CCN(C(=O)c1ccc(Br)s1)[*:1]
CCN(CCC#N)C(=O)c1ccc(Br)s1 N#CC[*:1] CCN(C[*:1])C(=O)c1ccc(Br)s1
CCOCC(=O)NNC(=O)c1cccc(C)n1 CCOC[*:1] Cc1cccc(n1)C(=O)NNC(=O)[*:1]
CCOCC(=O)NNC(=O)c1cccc(C)n1 CCO[*:1] Cc1cccc(n1)C(=O)NNC(=O)C[*:1]
CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@@H](C)C(=O)NC1CC1 C1CC1[*:1] CCn1c(nnc1S(=O)(=O)[C@@H](C)C(=O)N[*:1])-c1ccccc1
CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@@H](C)C(=O)NC1CC1 O=C(NC1CC1)[*:1] CCn1c(nnc1S(=O)(=O)[C@@H](C)[*:1])-c1ccccc1
CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@@H](C)C(=O)NC1CC1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])S(=O)(=O)[C@@H](C)C(=O)NC1CC1
COCCn1c(C)cc(CN2CC[NH+](Cc3ccon3)CC2)c1C c1cc(no1)[*:1] COCCn1c(C)cc(CN2CC[NH+](CC2)C[*:1])c1C
COCCn1c(C)cc(CN2CC[NH+](Cc3ccon3)CC2)c1C COC[*:1] Cc1cc(CN2CC[NH+](CC2)Cc2ccon2)c(C)n1C[*:1]
COCCn1c(C)cc(CN2CC[NH+](Cc3ccon3)CC2)c1C COCC[*:1] Cc1cc(CN2CC[NH+](CC2)Cc2ccon2)c(C)n1[*:1]
C[C@H]1CCC(CC(=O)[O-])(CC(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CCC(CC(=O)[O-])(C1)C[*:1]
C[C@H]1CCC(CC(=O)[O-])(CC(=O)[O-])C1 O=C([O-])C[*:1] C[C@H]1CCC(CC(=O)[O-])(C1)[*:1]
CNC(=O)c1ccccc1-c1cccc2ccccc12 CNC(=O)[*:1] c1ccc(c(c1)-c1cccc2ccccc12)[*:1]
Cc1nc(-c2cccc(C(=O)N[C@H]3CCC[C@H]3C)c2)cs1 Cc1nc(cs1)[*:1] C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(c1)[*:1]
CN1CCO[C@@H](CN(C(=O)CCCn2cccn2)c2nccs2)C1 c1cnn(c1)CC[*:1] CN1CCO[C@H](C1)CN(C(=O)C[*:1])c1nccs1
CN1CCO[C@@H](CN(C(=O)CCCn2cccn2)c2nccs2)C1 c1cnn(c1)C[*:1] CN1CCO[C@H](C1)CN(C(=O)CC[*:1])c1nccs1
CN1CCO[C@@H](CN(C(=O)CCCn2cccn2)c2nccs2)C1 c1cnn(c1)CCC[*:1] CN1CCO[C@H](C1)CN(C(=O)[*:1])c1nccs1
CN1CCO[C@@H](CN(C(=O)CCCn2cccn2)c2nccs2)C1 c1csc(n1)[*:1] CN1CCO[C@H](C1)CN(C(=O)CCCn1cccn1)[*:1]
CN1CCO[C@@H](CN(C(=O)CCCn2cccn2)c2nccs2)C1 c1cnn(c1)[*:1] CN1CCO[C@H](C1)CN(C(=O)CCC[*:1])c1nccs1
COCCC[C@H]([NH2+][C@H]1CCN(C(C)=O)C1)c1ccc(Br)cc1 COC[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](CC[*:1])c1ccc(Br)cc1
COCCC[C@H]([NH2+][C@H]1CCN(C(C)=O)C1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COCCC[C@H]([NH2+][C@H]1CCN(C1)C(C)=O)[*:1]
COCCC[C@H]([NH2+][C@H]1CCN(C(C)=O)C1)c1ccc(Br)cc1 COCCC[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@H](c1ccc(Br)cc1)[*:1]
COCCC[C@H]([NH2+][C@H]1CCN(C(C)=O)C1)c1ccc(Br)cc1 COCC[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C[*:1])c1ccc(Br)cc1
CCCOc1ccc(/C=N/n2cnnc2)cc1OCC CCCO[*:1] CCOc1cc(/C=N/n2cnnc2)ccc1[*:1]
CCCOc1ccc(/C=N/n2cnnc2)cc1OCC CCC[*:1] CCOc1cc(/C=N/n2cnnc2)ccc1O[*:1]
CCCOc1ccc(/C=N/n2cnnc2)cc1OCC CCO[*:1] CCCOc1ccc(/C=N/n2cnnc2)cc1[*:1]
O=C(CCc1ccccc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 c1ccc(cc1)CC[*:1] O=C1CC[C@H]2CN(CC[C@H]2N1CCc1c[nH]c[nH+]1)C(=O)[*:1]
O=C(CCc1ccccc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 c1ccc(cc1)C[*:1] O=C(C[*:1])N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1
O=C(CCc1ccccc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 c1ccc(cc1)[*:1] O=C(CC[*:1])N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1
CC[C@@H](C#N)Oc1cc(CNc2nccn(C)c2=O)ccc1OC Cn1ccnc(c1=O)[*:1] CC[C@@H](C#N)Oc1cc(ccc1OC)CN[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nc3ncc(Cl)cc3[n-]2)C1=O c1ccc(cc1)C[*:1] C[C@]1(C[*:1])NC(=O)N(NC(=O)CSc2nc3ncc(Cl)cc3[n-]2)C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nc3ncc(Cl)cc3[n-]2)C1=O c1ccc(cc1)CC[*:1] C[C@@]1(NC(=O)N(NC(=O)CSc2nc3ncc(Cl)cc3[n-]2)C1=O)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nc3ncc(Cl)cc3[n-]2)C1=O c1ccc(cc1)[*:1] C[C@]1(CC[*:1])NC(=O)N(NC(=O)CSc2nc3ncc(Cl)cc3[n-]2)C1=O
Cc1csc(SCc2ccc(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)cc2)n1 C1CO[C@@H](C1)C[*:1] Cc1csc(n1)SCc1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
Cc1csc(SCc2ccc(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)cc2)n1 Cc1csc(n1)[*:1] O=C(c1ccc(cc1)CS[*:1])N1CCN(CC1)C[C@@H]1CCCO1
Cc1csc(SCc2ccc(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)cc2)n1 Cc1csc(n1)SC[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)C[C@@H]1CCCO1
Cc1csc(SCc2ccc(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)cc2)n1 Cc1csc(n1)S[*:1] O=C(c1ccc(cc1)C[*:1])N1CCN(CC1)C[C@@H]1CCCO1
CC(C)(C(=O)NC[C@](C)(O)c1ccc(F)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)(C(=O)NC[C@](C)(O)c1ccc(F)cc1)[*:1]
CC(C)(C(=O)NC[C@](C)(O)c1ccc(F)cc1)c1cccc(Cl)c1 Fc1ccc(cc1)[*:1] CC(C)(C(=O)NC[C@](C)(O)[*:1])c1cccc(Cl)c1
COCCOc1ncccc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C COCC[*:1] COc1ccc(cc1)[C@@H]1C[C@H](C)N(C1)C(=O)c1cccnc1O[*:1]
COCCOc1ncccc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C COC[*:1] COc1ccc(cc1)[C@@H]1C[C@H](C)N(C1)C(=O)c1cccnc1OC[*:1]
COCCOc1ncccc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C COCCO[*:1] COc1ccc(cc1)[C@@H]1C[C@H](C)N(C1)C(=O)c1cccnc1[*:1]
COCCOc1ncccc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C COc1ccc(cc1)[*:1] COCCOc1ncccc1C(=O)N1C[C@H](C[C@@H]1C)[*:1]
N#Cc1ccnc(Sc2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1ccnc(c1)Sc1ccccc1[*:1]
C[C@H](CCO)Sc1ccc(C(N)=O)cc1N C[C@H](CCO)[*:1] NC(=O)c1ccc(S[*:1])c(N)c1
C[C@H](CCO)Sc1ccc(C(N)=O)cc1N OCC[*:1] C[C@H](Sc1ccc(cc1N)C(N)=O)[*:1]
C[C@H](CCO)Sc1ccc(C(N)=O)cc1N NC(=O)[*:1] C[C@H](CCO)Sc1ccc(cc1N)[*:1]
CCOc1cccc([C@](C)(O)C2(C)CC2)c1 CCO[*:1] CC1(CC1)[C@@](C)(O)c1cccc(c1)[*:1]
CCOc1cccc([C@](C)(O)C2(C)CC2)c1 CC1(CC1)[*:1] CCOc1cccc(c1)[C@](C)(O)[*:1]
CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C)C CN(C)[*:1] CCC(C)(C)NC(=O)[C@H](c1ccccc1F)[*:1]
CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C)C CCC(C)(C)[*:1] CN(C)[C@H](C(=O)N[*:1])c1ccccc1F
COCCCNc1nc(=S)[nH]c2ccccc12 COCC[*:1] S=c1nc(NC[*:1])c2ccccc2[nH]1
COCCCNc1nc(=S)[nH]c2ccccc12 COCCC[*:1] S=c1nc(N[*:1])c2ccccc2[nH]1
COCCCNc1nc(=S)[nH]c2ccccc12 COC[*:1] S=c1nc(NCC[*:1])c2ccccc2[nH]1
CC[C@@H](C[NH3+])c1nc(C[NH+](C)C)no1 C[NH+](C)C[*:1] CC[C@@H](C[NH3+])c1nc(no1)[*:1]
CCCCC(=O)Nc1ccc(C(=O)NCC)cc1 CCCC[*:1] CCNC(=O)c1ccc(cc1)NC(=O)[*:1]
CCCCC(=O)Nc1ccc(C(=O)NCC)cc1 CCC[*:1] CCNC(=O)c1ccc(cc1)NC(=O)C[*:1]
CCCCC(=O)Nc1ccc(C(=O)NCC)cc1 CCNC(=O)[*:1] CCCCC(=O)Nc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 c1coc(c1)[*:1] NS(=O)(=O)c1ccc(Br)c(c1)C(=O)Nc1cccc(c1)NC(=O)[*:1]
NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 NS(=O)(=O)[*:1] O=C(Nc1cccc(c1)NC(=O)c1cc(ccc1Br)[*:1])c1ccco1
NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 O=C(N[*:1])c1ccco1 NS(=O)(=O)c1ccc(Br)c(c1)C(=O)Nc1cccc(c1)[*:1]
O=C(C1CCC1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 FC(F)(F)[*:1] O=C(C1CCC1)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
O=C(C1CCC1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 FC(F)(F)c1nc(no1)[*:1] O=C(C1CCC1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
O=C(C1CCC1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 C1CC(C1)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C(F)(F)F)[*:1]
Cc1cc(NC(=O)C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)c2ccccc2n1 c1coc(c1)[*:1] Cc1cc(NC(=O)C(=O)NCC2CCN(CC2)C(=O)C=C[*:1])c2ccccc2n1
Cc1cc(NC(=O)C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)c2ccccc2n1 Cc1cc(c2ccccc2n1)[*:1] O=C(NCC1CCN(CC1)C(=O)/C=C/c1ccco1)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)c2ccccc2n1 C(=C[*:1])c1ccco1 Cc1cc(NC(=O)C(=O)NCC2CCN(CC2)C(=O)[*:1])c2ccccc2n1
CC(C)COCC[C@H]1CCCC1=O CC(C)[*:1] O=C1CCC[C@@H]1CCOC[*:1]
CC(C)COCC[C@H]1CCCC1=O CC(C)C[*:1] O=C1CCC[C@@H]1CCO[*:1]
COc1ccc(CNCc2cc[nH+]c(N3CCCCC3)c2)cc1 C1CCN(CC1)[*:1] COc1ccc(cc1)CNCc1cc[nH+]c(c1)[*:1]
CNc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])CN[C@@H](c1ccccc1)c1ccccn1
CNc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] CNc1ccc(cc1[N+](=O)[O-])CN[C@@H](c1ccccn1)[*:1]
CNc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] c1ccc(nc1)[*:1] CNc1ccc(cc1[N+](=O)[O-])CN[C@@H](c1ccccc1)[*:1]
CCc1nnc(CN2CCN(C(=O)c3ccccc3F)CC2)o1 Fc1ccccc1[*:1] CCc1nnc(CN2CCN(CC2)C(=O)[*:1])o1
CCc1nnc(CN2CCN(C(=O)c3ccccc3F)CC2)o1 CCc1nnc(o1)[*:1] O=C(c1ccccc1F)N1CCN(CC1)C[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1cccnc1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@H]1c1cccnc1
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])N1CCC[C@@H]1[*:1]
O=C(NCCOC(=O)N(O)c1ccc(Cl)cc1)Oc1ccc(Cl)cc1Cl Clc1ccc(cc1)[*:1] O=C(NCCOC(=O)N(O)[*:1])Oc1ccc(Cl)cc1Cl
O=C(NCCOC(=O)N(O)c1ccc(Cl)cc1)Oc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(NCCOC(=O)N(O)c1ccc(Cl)cc1)O[*:1]
CCOc1ccc(N([C@H](C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1 CCO[*:1] CC1CCN(CC1)C(=O)[C@@H](C)N(c1ccc(cc1)[*:1])S(C)(=O)=O
O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1F
O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(Nc1ccc(F)c(c1)S(=O)(=O)N1CCOCC1)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H]1CCN(C(=O)c2cc3c(cc2O)OCO3)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H]1CCN(C(=O)c2cc3OCOc3cc2O)[C@@H]1[*:1]
CCCNS(=O)(=O)c1cc(C(N)=O)ccc1N1CCCC1 CCCNS(=O)(=O)[*:1] NC(=O)c1ccc(c(c1)[*:1])N1CCCC1
CCCNS(=O)(=O)c1cc(C(N)=O)ccc1N1CCCC1 NC(=O)[*:1] CCCNS(=O)(=O)c1cc(ccc1N1CCCC1)[*:1]
CCCNS(=O)(=O)c1cc(C(N)=O)ccc1N1CCCC1 CCC[*:1] NC(=O)c1ccc(c(c1)S(=O)(=O)N[*:1])N1CCCC1
CCCNS(=O)(=O)c1cc(C(N)=O)ccc1N1CCCC1 C1CCN(C1)[*:1] CCCNS(=O)(=O)c1cc(ccc1[*:1])C(N)=O
C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccc(OCC2CC2)c(F)c1 C1CC1C[*:1] C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccc(O[*:1])c(F)c1
C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccc(OCC2CC2)c(F)c1 C1CC1CO[*:1] C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccc(c(F)c1)[*:1]
C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccc(OCC2CC2)c(F)c1 C1CC1[*:1] C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccc(OC[*:1])c(F)c1
Cc1cc(C(=O)N(C)CCOCC2CC2)c(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C(=O)N(C)CCOCC2CC2)c(N)c(c1)[*:1]
Cc1cc(C(=O)N(C)CCOCC2CC2)c(N)c([N+](=O)[O-])c1 C1CC1COC[*:1] Cc1cc(C(=O)N(C)C[*:1])c(N)c(c1)[N+](=O)[O-]
Cc1cc(C(=O)N(C)CCOCC2CC2)c(N)c([N+](=O)[O-])c1 C1CC1C[*:1] Cc1cc(C(=O)N(C)CCO[*:1])c(N)c(c1)[N+](=O)[O-]
Cc1cc(C(=O)N(C)CCOCC2CC2)c(N)c([N+](=O)[O-])c1 C1CC1[*:1] Cc1cc(C(=O)N(C)CCOC[*:1])c(N)c(c1)[N+](=O)[O-]
Cc1cc(C(=O)N(C)CCOCC2CC2)c(N)c([N+](=O)[O-])c1 C1CC1CO[*:1] Cc1cc(C(=O)N(C)CC[*:1])c(N)c(c1)[N+](=O)[O-]
Cc1cc(C(=O)N(C)CCOCC2CC2)c(N)c([N+](=O)[O-])c1 C(C[*:1])OCC1CC1 Cc1cc(C(=O)N(C)[*:1])c(N)c(c1)[N+](=O)[O-]
Cc1cc(C[NH+]2CCC(CNS(=O)(=O)Cc3ccccc3Cl)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=S(=O)(Cc1ccccc1Cl)NCC1CC[NH+](CC1)C[*:1]
Cc1cc(C[NH+]2CCC(CNS(=O)(=O)Cc3ccccc3Cl)CC2)c(C)o1 Clc1ccccc1C[*:1] Cc1cc(C[NH+]2CCC(CC2)CNS(=O)(=O)[*:1])c(C)o1
Cc1cc(C[NH+]2CCC(CNS(=O)(=O)Cc3ccccc3Cl)CC2)c(C)o1 Cc1cc(C[*:1])c(C)o1 O=S(=O)(Cc1ccccc1Cl)NCC1CC[NH+](CC1)[*:1]
Cc1cc(C[NH+]2CCC(CNS(=O)(=O)Cc3ccccc3Cl)CC2)c(C)o1 Clc1ccccc1[*:1] Cc1cc(C[NH+]2CCC(CC2)CNS(=O)(=O)C[*:1])c(C)o1
CCCc1cc(N2CC[NH2+]CC2)c2ccc(OC)cc2[nH+]1 CCC[*:1] COc1ccc2c(cc([nH+]c2c1)[*:1])N1CC[NH2+]CC1
COC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@H](C(C)(C)C)C2 COC(=O)[*:1] Cc1ccc(o1)C(=O)Nc1sc2C[C@H](CCc2c1[*:1])C(C)(C)C
COC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@H](C(C)(C)C)C2 CC(C)(C)[*:1] COC(=O)c1c(NC(=O)c2ccc(C)o2)sc2C[C@@H](CCc21)[*:1]
COC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@H](C(C)(C)C)C2 Cc1ccc(o1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc2C[C@H](CCc21)C(C)(C)C
CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2ccccc2F)CC1 Fc1ccccc1[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)C(=O)N[*:1]
CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2ccccc2F)CC1 CN(C)C(=O)[*:1] O=C(Nc1ccccc1F)C(=O)N1CCC(CC1)[*:1]
Cc1cccc(C)c1OCCOC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C)c1OCCOC(=O)[C@@H]1C[C@H]1[*:1]
CC[C@H](C)Sc1ccc(Cl)nn1 CC[C@H](C)[*:1] Clc1ccc(nn1)S[*:1]
C[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](NC(=O)/C=C/c1ccc(s1)-c1ccccc1Cl)[*:1]
C[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1ccccn1 C[C@H](c1ccccn1)[*:1] O=C(/C=C/c1ccc(s1)-c1ccccc1Cl)N[*:1]
C[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)c1ccccn1 Clc1ccccc1[*:1] C[C@H](NC(=O)/C=C/c1ccc(s1)[*:1])c1ccccn1
COc1cc(OC)cc(C(=O)Nc2nc(-c3nnn(-c4ccc(C)c(C)c4)c3C)ns2)c1 COc1cc(cc(c1)[*:1])OC Cc1ccc(cc1C)-n1nnc(-c2nsc(n2)NC(=O)[*:1])c1C
COc1cc(OC)cc(C(=O)Nc2nc(-c3nnn(-c4ccc(C)c(C)c4)c3C)ns2)c1 Cc1ccc(cc1C)[*:1] COc1cc(cc(c1)C(=O)Nc1nc(ns1)-c1nnn(c1C)[*:1])OC
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N[C@H](C)c1sc(C)nc1C Cc1nc(C)c(s1)[*:1] C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N[C@H](C)[*:1]
Cc1c(C(=O)N(C)C)c(C(F)(F)F)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(C(=O)N(C)C)c(nn1[*:1])C(F)(F)F
Cc1c(C(=O)N(C)C)c(C(F)(F)F)nn1-c1ccccc1 CN(C)C(=O)[*:1] Cc1c(c(nn1-c1ccccc1)C(F)(F)F)[*:1]
Cc1c(C(=O)N(C)C)c(C(F)(F)F)nn1-c1ccccc1 FC(F)(F)[*:1] Cc1c(C(=O)N(C)C)c(nn1-c1ccccc1)[*:1]
CCC[C@@H](c1cccc(C(=O)[O-])c1)[C@H]1C[NH2+]CCN1 CCC[*:1] O=C([O-])c1cccc(c1)[C@@H]([C@H]1C[NH2+]CCN1)[*:1]
CCC[C@@H](c1cccc(C(=O)[O-])c1)[C@H]1C[NH2+]CCN1 O=C([O-])[*:1] CCC[C@@H](c1cccc(c1)[*:1])[C@H]1C[NH2+]CCN1
COC(=O)c1c(NC(=O)[C@@H](C)n2c(C)cc(C)nc2=O)sc(C)c1C COC(=O)[*:1] Cc1cc(C)n(c(=O)n1)[C@H](C)C(=O)Nc1sc(C)c(C)c1[*:1]
C[C@@H](CNc1ccccc1OC(F)(F)F)C(N)=O NC(=O)[*:1] C[C@@H](CNc1ccccc1OC(F)(F)F)[*:1]
C[C@@H](CNc1ccccc1OC(F)(F)F)C(N)=O FC(F)(F)O[*:1] C[C@@H](CNc1ccccc1[*:1])C(N)=O
C[C@@H](CNc1ccccc1OC(F)(F)F)C(N)=O FC(F)(F)[*:1] C[C@@H](CNc1ccccc1O[*:1])C(N)=O
C[C@@H](CNc1ccccc1OC(F)(F)F)C(N)=O C[C@@H](C(N)=O)[*:1] FC(F)(F)Oc1ccccc1NC[*:1]
C[C@@H](CNc1ccccc1OC(F)(F)F)C(N)=O C[C@@H](C[*:1])C(N)=O FC(F)(F)Oc1ccccc1N[*:1]
CCC[NH+]1CCC(NC(=O)/C=C(/C)C(C)(C)C)CC1 CCC[*:1] C/C(=C/C(=O)NC1CC[NH+](CC1)[*:1])C(C)(C)C
CCC[NH+]1CCC(NC(=O)/C=C(/C)C(C)(C)C)CC1 CC(C)(C)[*:1] CCC[NH+]1CCC(CC1)NC(=O)C=C(C)[*:1]
C[C@@H](C(=O)NC(N)=O)N1C(=O)N[C@@](C)(c2ccccc2)C1=O NC(=O)NC(=O)[*:1] C[C@@H](N1C(=O)N[C@](C)(C1=O)c1ccccc1)[*:1]
C[C@@H](C(=O)NC(N)=O)N1C(=O)N[C@@](C)(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H](C(=O)NC(N)=O)N1C(=O)N[C@@](C)(C1=O)[*:1]
COCc1cc(=O)[nH]c2cc(NC(=O)c3ccc(C)c(C)c3)ccc12 Cc1ccc(cc1C)[*:1] COCc1cc(=O)[nH]c2cc(ccc12)NC(=O)[*:1]
COCc1cc(=O)[nH]c2cc(NC(=O)c3ccc(C)c(C)c3)ccc12 COC[*:1] Cc1ccc(cc1C)C(=O)Nc1ccc2c(cc(=O)[nH]c2c1)[*:1]
Cc1c(F)cccc1NC(=O)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C CC(C)[*:1] Cc1c(F)cccc1NC(=O)C(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
Cc1c(F)cccc1NC(=O)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C Cc1c(F)cccc1[*:1] CC(C)[C@@H](NC(=O)C(=O)N[*:1])c1nc2ccccc2[nH]1
Cc1c(F)cccc1NC(=O)C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C c1ccc2[nH]c(nc2c1)[*:1] Cc1c(F)cccc1NC(=O)C(=O)N[C@@H](C(C)C)[*:1]
COC(=O)[C@H](C)NC(=O)N1CCC2=NC=N[C@@H]2[C@@H]1c1ccc(F)c(F)c1F COC(=O)[C@H](C)[*:1] O=C(N[*:1])N1CCC2=NC=N[C@@H]2[C@@H]1c1ccc(F)c(F)c1F
COC(=O)[C@H](C)NC(=O)N1CCC2=NC=N[C@@H]2[C@@H]1c1ccc(F)c(F)c1F Fc1ccc(c(F)c1F)[*:1] COC(=O)[C@H](C)NC(=O)N1CCC2=NC=N[C@@H]2[C@H]1[*:1]
COC(=O)[C@H](C)NC(=O)N1CCC2=NC=N[C@@H]2[C@@H]1c1ccc(F)c(F)c1F COC(=O)[*:1] C[C@H](NC(=O)N1CCC2=NC=N[C@@H]2[C@@H]1c1ccc(F)c(F)c1F)[*:1]
CO[C@@H](C)C(=O)Oc1cccc(F)c1F CO[C@@H](C)[*:1] O=C(Oc1cccc(F)c1F)[*:1]
COc1ccccc1[C@@H]1CCN(C(=O)c2cccc(OCC(F)F)n2)C1 FC(F)C[*:1] COc1ccccc1[C@@H]1CCN(C1)C(=O)c1cccc(n1)O[*:1]
COc1ccccc1[C@@H]1CCN(C(=O)c2cccc(OCC(F)F)n2)C1 FC(F)[*:1] COc1ccccc1[C@@H]1CCN(C1)C(=O)c1cccc(n1)OC[*:1]
COc1ccccc1[C@@H]1CCN(C(=O)c2cccc(OCC(F)F)n2)C1 COc1ccccc1[*:1] O=C(c1cccc(n1)OCC(F)F)N1CC[C@H](C1)[*:1]
COc1ccccc1[C@@H]1CCN(C(=O)c2cccc(OCC(F)F)n2)C1 FC(F)CO[*:1] COc1ccccc1[C@@H]1CCN(C1)C(=O)c1cccc(n1)[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)CCc2nnc(-c3ccsc3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1nnc(o1)-c1ccsc1)N(Cc1ccco1)[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)CCc2nnc(-c3ccsc3)o2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N(C[*:1])C(=O)CCc1nnc(o1)-c1ccsc1
Cc1ccc(N(Cc2ccco2)C(=O)CCc2nnc(-c3ccsc3)o2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)N(C(=O)CCc1nnc(o1)-c1ccsc1)[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)CCc2nnc(-c3ccsc3)o2)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)N(Cc1ccco1)C(=O)CCc1nnc(o1)[*:1]
CCN(c1ccccc1)c1ncnc(NNc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)NN[*:1] CCN(c1ccccc1)c1ncnc(c1[N+](=O)[O-])[*:1]
CCN(c1ccccc1)c1ncnc(NNc2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(c1ccccc1)c1ncnc(NNc2ccccc2)c1[*:1]
CCN(c1ccccc1)c1ncnc(NNc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CCN(c1ncnc(NNc2ccccc2)c1[N+](=O)[O-])[*:1]
CCN(c1ccccc1)c1ncnc(NNc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CCN(c1ccccc1)c1ncnc(NN[*:1])c1[N+](=O)[O-]
CSc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cn1 c1ccc(cc1)[*:1] CSc1ccc(cn1)C(=O)Nc1nc(cs1)[*:1]
Cn1cnc([N+](=O)[O-])c1SC[C@H](O)CCl O[C@H](CCl)C[*:1] Cn1cnc(c1S[*:1])[N+](=O)[O-]
Cn1cnc([N+](=O)[O-])c1SC[C@H](O)CCl O[C@H](CCl)[*:1] Cn1cnc(c1SC[*:1])[N+](=O)[O-]
Cn1cnc([N+](=O)[O-])c1SC[C@H](O)CCl O=[N+]([O-])[*:1] Cn1cnc(c1SC[C@H](O)CCl)[*:1]
CCOc1ccc(Oc2ccccc2NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1nn(CC(=O)Nc2ccccc2O[*:1])c(=O)c2ccccc12
CCOc1ccc(Oc2ccccc2NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 CCO[*:1] Cc1nn(CC(=O)Nc2ccccc2Oc2ccc(cc2)[*:1])c(=O)c2ccccc12
CCOc1ccc(Oc2ccccc2NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 CCOc1ccc(cc1)O[*:1] Cc1nn(CC(=O)Nc2ccccc2[*:1])c(=O)c2ccccc12
COc1ccc(Cl)cc1NC(=O)N(C)CC(=O)Nc1cccc(C)c1C Cc1cccc(c1C)[*:1] COc1ccc(Cl)cc1NC(=O)N(C)CC(=O)N[*:1]
Cc1oc(-c2cccs2)nc1Cn1nnc(C(=O)Nc2cccc(Cl)c2)c1C Clc1cccc(c1)[*:1] Cc1oc(nc1Cn1nnc(C(=O)N[*:1])c1C)-c1cccs1
Cc1oc(-c2cccs2)nc1Cn1nnc(C(=O)Nc2cccc(Cl)c2)c1C c1csc(c1)[*:1] Cc1oc(nc1Cn1nnc(C(=O)Nc2cccc(Cl)c2)c1C)[*:1]
CC(C)n1ncc2c(C(=O)N[C@H](C)c3ccc(NC(=O)c4ccc(F)cc4)cc3)cc(C3CC3)nc21 O=C(N[*:1])c1ccc(F)cc1 CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CC(C)n1ncc2c(C(=O)N[C@H](C)c3ccc(NC(=O)c4ccc(F)cc4)cc3)cc(C3CC3)nc21 C1CC1[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)N[C@H](C)c1ccc(cc1)NC(=O)c1ccc(F)cc1
CC(C)n1ncc2c(C(=O)N[C@H](C)c3ccc(NC(=O)c4ccc(F)cc4)cc3)cc(C3CC3)nc21 Fc1ccc(cc1)[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)N[C@H](C)c1ccc(cc1)NC(=O)[*:1]
CC(C)n1ncc2c(C(=O)N[C@H](C)c3ccc(NC(=O)c4ccc(F)cc4)cc3)cc(C3CC3)nc21 CC(C)[*:1] C[C@@H](NC(=O)c1cc(nc2c1cnn2[*:1])C1CC1)c1ccc(cc1)NC(=O)c1ccc(F)cc1
O=[N+]([O-])c1cccc(S(=O)(=O)/N=C(\[O-])c2ccc(F)cc2)c1 O=[N+]([O-])[*:1] O=S(=O)(/N=C(\[O-])c1ccc(F)cc1)c1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)/N=C(\[O-])c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)/N=C(\[O-])[*:1]
O=C(c1ccc(NC(=O)N2CCCCc3ccccc32)cc1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(cc1)NC(=O)N1CCCCc2ccccc21)N1CCN(CC1)[*:1]
O=C(c1ccc(NC(=O)N2CCCCc3ccccc32)cc1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)NC(=O)N1CCCCc2ccccc21)N1CCN(CC1)C[*:1]
C[C@@H](N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1nccs1 c1csc(n1)[*:1] C[C@@H](N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)[*:1]
C[C@@H](N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1nccs1 Clc1cccc(c1)[*:1] C[C@@H](N[C@@H](c1cccc(F)c1)[*:1])c1nccs1
C[C@@H](N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1nccs1 Fc1cccc(c1)[*:1] C[C@@H](N[C@@H](c1cccc(Cl)c1)[*:1])c1nccs1
CC(=O)Nc1cccc2c1CCN(C(=O)N[C@@H](C)c1ccc(Cl)cc1)C2 CC(=O)N[*:1] C[C@H](NC(=O)N1CCc2c(cccc2[*:1])C1)c1ccc(Cl)cc1
CC(=O)Nc1cccc2c1CCN(C(=O)N[C@@H](C)c1ccc(Cl)cc1)C2 Clc1ccc(cc1)[*:1] CC(=O)Nc1cccc2CN(CCc21)C(=O)N[C@@H](C)[*:1]
Cc1cccc(C(=O)N2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)n1 CC(C)(C)[*:1] Cc1cccc(n1)C(=O)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
Cc1cccc(C(=O)N2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)n1 CC(C)(C)C[*:1] Cc1cccc(n1)C(=O)N1CC[C@]2(CCCN(C2=O)[*:1])C1
Cc1cccc(C(=O)N2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)n1 Cc1cccc(n1)[*:1] CC(C)(C)CN1CCC[C@]2(CCN(C2)C(=O)[*:1])C1=O
Cc1ccc(O[C@@H](C)C(=O)N(C)CC(=O)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N(C)CC(=O)N1CCOCC1
CCc1c(C)nn(C[C@H](CS)C(C)C)c1C CC(C)[*:1] CCc1c(C)nn(C[C@H](CS)[*:1])c1C
CCc1cccc(NC(=O)[C@H](C)[S@](=O)Cc2cc(C)no2)c1 Cc1cc(on1)[*:1] CCc1cccc(c1)NC(=O)[C@H](C)[S@](=O)C[*:1]
CCc1cccc(NC(=O)[C@H](C)[S@](=O)Cc2cc(C)no2)c1 Cc1cc(C[*:1])on1 CCc1cccc(c1)NC(=O)[C@H](C)[S@](=O)[*:1]
C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)c1ccc(cc1)[*:1] C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCN(CC1)C[*:1]
C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCN(CC1)Cc1ccc(cc1)[*:1]
CC(C)CN(C(=O)Nc1ccc2c(c1)oc(=O)n2C)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)Nc1ccc2c(c1)oc(=O)n2C)[*:1]
CC(C)CN(C(=O)Nc1ccc2c(c1)oc(=O)n2C)C1CC1 CC(C)[*:1] Cn1c(=O)oc2cc(ccc21)NC(=O)N(C[*:1])C1CC1
CC(C)CN(C(=O)Nc1ccc2c(c1)oc(=O)n2C)C1CC1 CC(C)C[*:1] Cn1c(=O)oc2cc(ccc21)NC(=O)N(C1CC1)[*:1]
Cc1cccc(N2C[NH+](Cc3ccco3)CN=C2S)c1 c1coc(c1)[*:1] Cc1cccc(c1)N1C[NH+](CN=C1S)C[*:1]
Cc1cccc(N2C[NH+](Cc3ccco3)CN=C2S)c1 c1coc(c1)C[*:1] Cc1cccc(c1)N1C[NH+](CN=C1S)[*:1]
COC(=O)N(C)c1ccc(NCc2cccc3[nH]ccc23)cc1 COC(=O)N(C)[*:1] c1cc(CNc2ccc(cc2)[*:1])c2cc[nH]c2c1
CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCC[*:1]
CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)CC[*:1] CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[*:1]
CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NC[*:1]
O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCc1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])NCc1ccc2OCOc2c1
C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncc(C(=O)[O-])n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncc(C(=O)[O-])n1[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncc(C(=O)[O-])n1-c1ccc(F)cc1 O=C([O-])[*:1] C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncc(n1-c1ccc(F)cc1)[*:1]
CC(C)N(C)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C)C(=O)N[C@H](COCc1ccccc1)[*:1]
CC(C)N(C)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C)C(=O)N[C@H](COC[*:1])c1ccccc1
CC(C)N(C)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 c1ccc(cc1)CO[*:1] CC(C)N(C)C(=O)N[C@H](C[*:1])c1ccccc1
CC(C)N(C)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] CC(C)N(C)C(=O)N[C@H](CO[*:1])c1ccccc1
CC(C)N(C)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 CC(C)N(C)C(=O)N[*:1] c1ccc(cc1)COC[C@H](c1ccccc1)[*:1]
CC(C)N(C)C(=O)N[C@H](COCc1ccccc1)c1ccccc1 CC(C)[*:1] CN(C(=O)N[C@H](COCc1ccccc1)c1ccccc1)[*:1]
Cc1nc(C(C)(C)C)sc1C(=O)NCCNC(=O)c1ccco1 c1coc(c1)[*:1] Cc1nc(sc1C(=O)NCCNC(=O)[*:1])C(C)(C)C
Cc1nc(C(C)(C)C)sc1C(=O)NCCNC(=O)c1ccco1 CC(C)(C)[*:1] Cc1nc(sc1C(=O)NCCNC(=O)c1ccco1)[*:1]
CNS(=O)(=O)c1cc(NC(=O)/C=C/c2ccccc2)ccc1OC c1ccc(cc1)[*:1] CNS(=O)(=O)c1cc(ccc1OC)NC(=O)C=C[*:1]
CNS(=O)(=O)c1cc(NC(=O)/C=C/c2ccccc2)ccc1OC CNS(=O)(=O)[*:1] COc1ccc(cc1[*:1])NC(=O)/C=C/c1ccccc1
CNS(=O)(=O)c1cc(NC(=O)/C=C/c2ccccc2)ccc1OC C(=C[*:1])c1ccccc1 CNS(=O)(=O)c1cc(ccc1OC)NC(=O)[*:1]
COC(=O)Cc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 COC(=O)[*:1] O=C(COc1ccc2CCCc2c1)Nc1ccc(cc1)C[*:1]
COC(=O)Cc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 COC(=O)C[*:1] O=C(COc1ccc2CCCc2c1)Nc1ccc(cc1)[*:1]
Cc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@H](C)[NH2+][C@H]1CCOc2ccc(F)cc21
C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)Cc1nc(-c2ccoc2)no1 CC(C)(C)[*:1] C[C@H](c1ncc(o1)[*:1])S(=O)(=O)Cc1nc(no1)-c1ccoc1
C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)Cc1nc(-c2ccoc2)no1 c1cc(co1)[*:1] C[C@H](c1ncc(o1)C(C)(C)C)S(=O)(=O)Cc1nc(no1)[*:1]
O=C(c1ccc2c(c1)CCO2)N1CCN(Cc2ccc(-c3noc(-c4cccnc4)n3)cc2)CC1 c1cncc(c1)-c1nc(no1)[*:1] O=C(c1ccc2OCCc2c1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
O=C(c1ccc2c(c1)CCO2)N1CCN(Cc2ccc(-c3noc(-c4cccnc4)n3)cc2)CC1 c1cc2OCCc2cc1[*:1] O=C(N1CCN(CC1)Cc1ccc(cc1)-c1noc(n1)-c1cccnc1)[*:1]
O=C(c1ccc2c(c1)CCO2)N1CCN(Cc2ccc(-c3noc(-c4cccnc4)n3)cc2)CC1 c1cncc(c1)[*:1] O=C(c1ccc2OCCc2c1)N1CCN(CC1)Cc1ccc(cc1)-c1noc(n1)[*:1]
CC(C)c1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)no1 CC(C)[*:1] C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(on1)[*:1]
Cc1cc(NC(=O)c2cc(C#N)cn2C)n(-c2ccc([N+](=O)[O-])cc2)n1 Cn1cc(C#N)cc1[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ccc(cc1)[N+](=O)[O-]
Cc1cc(NC(=O)c2cc(C#N)cn2C)n(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cc1cc(NC(=O)c2cc(C#N)cn2C)n(n1)-c1ccc(cc1)[*:1]
C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-n2cc[nH]c2=S)cc1)C1CC1 C[C@H](c1ccc(Cl)cc1)[*:1] O=C(c1ccc(cc1)-n1cc[nH]c1=S)N(C1CC1)[*:1]
C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-n2cc[nH]c2=S)cc1)C1CC1 S=c1[nH]ccn1[*:1] C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(cc1)[*:1])C1CC1
C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-n2cc[nH]c2=S)cc1)C1CC1 C1CC1[*:1] C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(cc1)-n1cc[nH]c1=S)[*:1]
C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(-n2cc[nH]c2=S)cc1)C1CC1 Clc1ccc(cc1)[*:1] C[C@H](N(C(=O)c1ccc(cc1)-n1cc[nH]c1=S)C1CC1)[*:1]
CC1(C)CCCC[C@]1(CO)[NH2+]C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC1(C)CCCC[C@]1(CO)[NH2+]C[*:1]
C[C@H](OC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccc(I)cc1 O=[N+]([O-])[*:1] C[C@H](OC(=O)[C@H]1C[C@H]1[*:1])c1ccc(I)cc1
CCOc1ccc(NC(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc2OCc3cnn(CC(=O)N[*:1])c3-c2c1
CCOc1ccc(NC(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)cc1 CCO[*:1] Cc1ccc2OCc3cnn(CC(=O)Nc4ccc(cc4)[*:1])c3-c2c1
CN(Cc1ccn[nH]1)C[C@@H]1C=NN=C1c1ccc(-c2ccccc2)cc1 CN(Cc1ccn[nH]1)[*:1] C1=NN=C(c2ccc(cc2)-c2ccccc2)[C@@H]1C[*:1]
CN(Cc1ccn[nH]1)C[C@@H]1C=NN=C1c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(Cc1ccn[nH]1)C[C@@H]1C=NN=C1c1ccc(cc1)[*:1]
CN(Cc1ccn[nH]1)C[C@@H]1C=NN=C1c1ccc(-c2ccccc2)cc1 c1cc(C[*:1])[nH]n1 CN(C[C@@H]1C=NN=C1c1ccc(cc1)-c1ccccc1)[*:1]
CN(Cc1ccn[nH]1)C[C@@H]1C=NN=C1c1ccc(-c2ccccc2)cc1 c1cc([nH]n1)[*:1] CN(C[C@@H]1C=NN=C1c1ccc(cc1)-c1ccccc1)C[*:1]
N#Cc1ccc(C(=O)NC[C@H](O)c2ccsc2)cc1 c1cc(cs1)[*:1] N#Cc1ccc(cc1)C(=O)NC[C@H](O)[*:1]
Cc1[nH]n(-c2ncc(-c3ccccc3)s2)c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N Brc1ccc(cc1)[*:1] Cc1[nH]n(-c2ncc(s2)-c2ccccc2)c(=O)c1[C@H](C(C#N)C#N)[*:1]
Cc1[nH]n(-c2ncc(-c3ccccc3)s2)c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N c1ccc(cc1)[*:1] Cc1[nH]n(-c2ncc(s2)[*:1])c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N
CC(C)c1ocnc1C(=O)O[C@H](C)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CC(C)c1ocnc1C(=O)O[C@H](C)[*:1]
CC(C)c1ocnc1C(=O)O[C@H](C)[C@@H]1CCOC1 CC(C)[*:1] C[C@@H](OC(=O)c1ncoc1[*:1])[C@@H]1CCOC1
O=[S@@](Cc1ncc2cnccn12)c1ccccc1 c1ccc(cc1)[*:1] O=[S@@](Cc1ncc2cnccn12)[*:1]
Cc1c(C(=O)NC2CCN(c3cccc(F)c3)CC2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NC1CCN(CC1)c1cccc(F)c1
Cc1c(C(=O)NC2CCN(c3cccc(F)c3)CC2)cnn1C(C)C Fc1cccc(c1)[*:1] Cc1c(cnn1C(C)C)C(=O)NC1CCN(CC1)[*:1]
OCC1(C[C@H]2CSc3ccccc32)CC1 OCC1(CC1)[*:1] c1ccc2c(c1)SC[C@@H]2C[*:1]
COCC[C@H](NC(=O)N1CC[C@H](C(=O)OC)C1)C(=O)[O-] COC(=O)[*:1] COCC[C@H](NC(=O)N1CC[C@H](C1)[*:1])C(=O)[O-]
COCC[C@H](NC(=O)N1CC[C@H](C(=O)OC)C1)C(=O)[O-] O=C([O-])[*:1] COCC[C@H](NC(=O)N1CC[C@@H](C1)C(=O)OC)[*:1]
COCC[C@H](NC(=O)N1CC[C@H](C(=O)OC)C1)C(=O)[O-] COCC[*:1] COC(=O)[C@H]1CCN(C1)C(=O)N[C@H](C(=O)[O-])[*:1]
COCC[C@H](NC(=O)N1CC[C@H](C(=O)OC)C1)C(=O)[O-] COC[*:1] COC(=O)[C@H]1CCN(C1)C(=O)N[C@@H](C[*:1])C(=O)[O-]
C[C@H](NC(=S)NNC(=O)c1ccccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=S)NNC(=O)c1ccccc1Cl)[*:1]
C[C@H](NC(=S)NNC(=O)c1ccccc1Cl)c1ccccc1 Clc1ccccc1[*:1] C[C@H](NC(=S)NNC(=O)[*:1])c1ccccc1
CCS(=O)(=O)NCC(=O)NCc1cc(C)c(F)c(C)c1 CCS(=O)(=O)N[*:1] Cc1cc(cc(C)c1F)CNC(=O)C[*:1]
CCNC(=O)c1cccc(CNC(=O)c2cc(-c3cccs3)n[nH]2)c1 CCNC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])c1cc(n[nH]1)-c1cccs1
CCNC(=O)c1cccc(CNC(=O)c2cc(-c3cccs3)n[nH]2)c1 c1csc(c1)[*:1] CCNC(=O)c1cccc(c1)CNC(=O)c1cc(n[nH]1)[*:1]
CCN(CC)C(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cc(C#N)cs1 CCN(CC)C(=O)[*:1] CC1=C([C@H](NC(=S)N1C)c1cc(C#N)cs1)[*:1]
CCN(CC)C(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cc(C#N)cs1 N#Cc1csc(c1)[*:1] CCN(CC)C(=O)C1=C(C)N(C)C(=S)N[C@H]1[*:1]
CC(C)OCCN1CCN(C(=O)C2(c3ccccc3F)CC2)CC1 Fc1ccccc1[*:1] CC(C)OCCN1CCN(CC1)C(=O)C1(CC1)[*:1]
CC(C)OCCN1CCN(C(=O)C2(c3ccccc3F)CC2)CC1 CC(C)O[*:1] O=C(N1CCN(CC1)CC[*:1])C1(CC1)c1ccccc1F
CC(C)OCCN1CCN(C(=O)C2(c3ccccc3F)CC2)CC1 CC(C)OC[*:1] O=C(N1CCN(CC1)C[*:1])C1(CC1)c1ccccc1F
CC(C)OCCN1CCN(C(=O)C2(c3ccccc3F)CC2)CC1 CC(C)OCC[*:1] O=C(N1CCN(CC1)[*:1])C1(CC1)c1ccccc1F
CC(C)OCCN1CCN(C(=O)C2(c3ccccc3F)CC2)CC1 CC(C)[*:1] O=C(N1CCN(CCO[*:1])CC1)C1(CC1)c1ccccc1F
C[C@@H]1CCc2c(sc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 NC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)c2[*:1]
C[C@@H]1CCc2c(sc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 Clc1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CCCS(=O)(=O)[*:1])c2C(N)=O
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Cc1cccc(F)c1F Fc1cccc(C[*:1])c1F C[C@@H](CN1CCN(CC1)c1ccccc1)NC(=O)[*:1]
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Cc1cccc(F)c1F Fc1cccc(c1F)[*:1] C[C@@H](CN1CCN(CC1)c1ccccc1)NC(=O)C[*:1]
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Cc1cccc(F)c1F c1ccc(cc1)[*:1] C[C@@H](CN1CCN(CC1)[*:1])NC(=O)Cc1cccc(F)c1F
CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)C1 CC(C)(C)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)C1 Fc1ccc(cc1)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H](C(C)(C)C)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)C1 CC(=O)N[*:1] CC(C)(C)[C@H](NC(=O)N1CCC[C@H](C1)[*:1])c1ccc(F)cc1
C[C@H](O)c1cccc(OCc2nc(-c3ccoc3)no2)c1 c1cc(co1)[*:1] C[C@H](O)c1cccc(c1)OCc1nc(no1)[*:1]
C[C@H](O)c1cccc(OCc2nc(-c3ccoc3)no2)c1 C[C@H](O)[*:1] c1cc(cc(c1)[*:1])OCc1nc(no1)-c1ccoc1
NC(=O)[C@H]1CCCN1c1nc(-c2ccccc2)c2ccccc2n1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CCCN1c1nc(c2ccccc2n1)[*:1]
NC(=O)[C@H]1CCCN1c1nc(-c2ccccc2)c2ccccc2n1 NC(=O)[*:1] c1ccc(cc1)-c1nc(nc2ccccc12)N1CCC[C@@H]1[*:1]
Cc1ccccc1CN1CCCN(Cc2ccccc2Cl)S1(=O)=O Clc1ccccc1C[*:1] Cc1ccccc1CN1CCCN(S1(=O)=O)[*:1]
Cc1ccccc1CN1CCCN(Cc2ccccc2Cl)S1(=O)=O Cc1ccccc1C[*:1] O=S1(=O)N(CCCN1[*:1])Cc1ccccc1Cl
Cc1ccccc1CN1CCCN(Cc2ccccc2Cl)S1(=O)=O Clc1ccccc1[*:1] Cc1ccccc1CN1CCCN(C[*:1])S1(=O)=O
Cc1ccccc1CN1CCCN(Cc2ccccc2Cl)S1(=O)=O Cc1ccccc1[*:1] O=S1(=O)N(CCCN1C[*:1])Cc1ccccc1Cl
CN(CC#N)[C@H]1CCOC2(CCCCC2)C1 CN(CC#N)[*:1] C1CCC2(CC1)C[C@H](CCO2)[*:1]
CN(CC#N)[C@H]1CCOC2(CCCCC2)C1 N#CC[*:1] CN([C@H]1CCOC2(CCCCC2)C1)[*:1]
COc1ccc([C@H]([NH2+]CCc2c(C)noc2C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H]([NH2+]CCc1c(C)noc1C)[*:1]
COc1ccc([C@H]([NH2+]CCc2c(C)noc2C)C2CC2)cc1 Cc1noc(C)c1[*:1] COc1ccc(cc1)[C@H]([NH2+]CC[*:1])C1CC1
CN(C)c1ncccc1N(C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl CN(C)[*:1] CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)c1cccnc1[*:1]
CN(C)c1ncccc1N(C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] CN(C)c1ncccc1N(C)C(=O)[C@H]1C[C@@H]1[*:1]
CCn1c(N2CCOCC2)nn(CN(C)Cc2ccc(C#N)cc2)c1=S N#Cc1ccc(cc1)[*:1] CCn1c(nn(CN(C)C[*:1])c1=S)N1CCOCC1
CCn1c(N2CCOCC2)nn(CN(C)Cc2ccc(C#N)cc2)c1=S C1CN(CCO1)[*:1] CCn1c(nn(CN(C)Cc2ccc(C#N)cc2)c1=S)[*:1]
Cc1csc2c(=O)n3c(nc12)CCN(Cc1cncn1C)CC3 Cn1cncc1[*:1] Cc1csc2c(=O)n3CCN(CCc3nc12)C[*:1]
Cc1csc2c(=O)n3c(nc12)CCN(Cc1cncn1C)CC3 Cn1cncc1C[*:1] Cc1csc2c(=O)n3CCN(CCc3nc12)[*:1]
CCCC[C@@H](C(=O)OC)c1ccc(OC)cc1 CCCC[*:1] COC(=O)[C@@H](c1ccc(cc1)OC)[*:1]
CCCC[C@@H](C(=O)OC)c1ccc(OC)cc1 COC(=O)[*:1] CCCC[C@@H](c1ccc(cc1)OC)[*:1]
CCCC[C@@H](C(=O)OC)c1ccc(OC)cc1 CCC[*:1] COC(=O)[C@H](C[*:1])c1ccc(cc1)OC
O=C(Nc1cnc(-c2ccccc2)s1)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] O=C(Nc1cnc(s1)-c1ccccc1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)[C@H]1CC(=O)N(CC2CC2)C1 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])[C@H]1CC(=O)N(CC2CC2)C1
O=C(Nc1cnc(-c2ccccc2)s1)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] O=C(Nc1cnc(s1)-c1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
CC[C@@H]1CCC[C@@](CC[NH+]2CCOCC2)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H]1CCC[C@@](CC[NH+]2CCOCC2)(C1)[*:1]
O=C(NCCc1ccccn1)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1ccccn1)[C@@H](S[*:1])c1ccccc1
O=C(NCCc1ccccn1)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1ccccn1)[C@@H](Sc1ccccc1)[*:1]
O=C(NCCc1ccccn1)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(nc1)[*:1] O=C(NCC[*:1])[C@@H](Sc1ccccc1)c1ccccc1
O=C(NCCc1ccccn1)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(C[*:1])nc1 O=C(NC[*:1])[C@@H](Sc1ccccc1)c1ccccc1
O=C(NCCc1ccccn1)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)S[*:1] O=C(NCCc1ccccn1)[C@@H](c1ccccc1)[*:1]
O=C(NCCc1ccccn1)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(CC[*:1])nc1 O=C(N[*:1])[C@@H](Sc1ccccc1)c1ccccc1
Cc1cnn(-c2ccc([C@H](C)[NH2+][C@H]3CCCc4[nH]c(=O)ccc43)cc2F)c1 Cc1cnn(c1)[*:1] C[C@H]([NH2+][C@H]1CCCc2[nH]c(=O)ccc21)c1ccc(c(F)c1)[*:1]
COC[C@H](O)CCc1cc(Cl)ccc1[N+](=O)[O-] COC[*:1] O=[N+]([O-])c1ccc(Cl)cc1CC[C@@H](O)[*:1]
COC[C@H](O)CCc1cc(Cl)ccc1[N+](=O)[O-] COC[C@H](O)[*:1] O=[N+]([O-])c1ccc(Cl)cc1CC[*:1]
COC[C@H](O)CCc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC[C@H](O)CCc1cc(Cl)ccc1[*:1]
O=C(OCCCc1ccncc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 c1cc(ccn1)[*:1] O=C(OCCC[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
O=C(OCCCc1ccncc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] O=C(OCCCc1ccncc1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(OCCCc1ccncc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 c1cc(ccn1)CC[*:1] O=C(OC[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
O=C(OCCCc1ccncc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 c1cc(ccn1)C[*:1] O=C(OCC[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2cccc[nH+]2)CC1 Cc1cc(Cl)ccc1[*:1] C[C@@H](O[*:1])C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(CC1)c1cccc[nH+]1
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2cccc[nH+]2)CC1 Cc1cc(Cl)ccc1O[C@H](C)[*:1] O=C([C@H]1CC12CCN(CC2)C(=O)[*:1])N1CCN(CC1)c1cccc[nH+]1
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2cccc[nH+]2)CC1 Cc1cc(Cl)ccc1O[*:1] C[C@H](C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
CN(Cc1cccs1)C(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 c1csc(c1)C[*:1] CN(C(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21)[*:1]
CN(Cc1cccs1)C(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 c1csc(c1)[*:1] CN(C[*:1])C(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21
O=C(Oc1ccccc1Br)C1CCC1 C1CC(C1)[*:1] O=C(Oc1ccccc1Br)[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)c1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)NCc1nn(c2CCCc12)[*:1]
O=C(c1ccc(-c2ccc(F)cc2)o1)N(Cc1ccccn1)C1CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(o1)[*:1])N(Cc1ccccn1)C1CC1
O=C(c1ccc(-c2ccc(F)cc2)o1)N(Cc1ccccn1)C1CC1 C1CC1[*:1] O=C(c1ccc(o1)-c1ccc(F)cc1)N(Cc1ccccn1)[*:1]
O=C(c1ccc(-c2ccc(F)cc2)o1)N(Cc1ccccn1)C1CC1 c1ccc(C[*:1])nc1 O=C(c1ccc(o1)-c1ccc(F)cc1)N(C1CC1)[*:1]
O=C(c1ccc(-c2ccc(F)cc2)o1)N(Cc1ccccn1)C1CC1 c1ccc(nc1)[*:1] O=C(c1ccc(o1)-c1ccc(F)cc1)N(C[*:1])C1CC1
Cc1ccc(C(=O)NNC(=O)N[C@@H](c2ccccn2)C(C)C)o1 CC(C)[*:1] Cc1ccc(o1)C(=O)NNC(=O)N[C@@H](c1ccccn1)[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@@H](c2ccccn2)C(C)C)o1 c1ccc(nc1)[*:1] Cc1ccc(o1)C(=O)NNC(=O)N[C@@H](C(C)C)[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@@H](c2ccccn2)C(C)C)o1 Cc1ccc(o1)[*:1] CC(C)[C@@H](NC(=O)NNC(=O)[*:1])c1ccccn1
O=C(NCCc1ccccn1)[C@@H]1CCCN1C(=O)Nc1ccccc1 c1ccc(CC[*:1])nc1 O=C(N[*:1])[C@@H]1CCCN1C(=O)Nc1ccccc1
O=C(NCCc1ccccn1)[C@@H]1CCCN1C(=O)Nc1ccccc1 c1ccc(C[*:1])nc1 O=C(NC[*:1])[C@@H]1CCCN1C(=O)Nc1ccccc1
O=C(NCCc1ccccn1)[C@@H]1CCCN1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1ccccn1)[C@@H]1CCCN1C(=O)N[*:1]
O=C(NCCc1ccccn1)[C@@H]1CCCN1C(=O)Nc1ccccc1 c1ccc(nc1)[*:1] O=C(NCC[*:1])[C@@H]1CCCN1C(=O)Nc1ccccc1
CNC(=O)c1c(C)cccc1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CNC(=O)c1c(C)cccc1NC(=O)CCC[S@](=O)[*:1]
CNC(=O)c1c(C)cccc1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 CNC(=O)[*:1] Cc1cccc(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)c1[*:1]
O=C(NNc1ncccc1Cl)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] O=C(NNc1ncccc1Cl)c1ccc(nc1)[*:1]
O=C(NNc1ncccc1Cl)c1ccc(-n2cccc2)nc1 Clc1cccnc1[*:1] O=C(NN[*:1])c1ccc(nc1)-n1cccc1
CCCn1c(=O)c2sccc2n2c(SC)nnc12 CCC[*:1] CSc1nnc2n(c(=O)c3sccc3n12)[*:1]
Cc1cccc(/C=C/C(=O)N[C@H](c2ccc(Cl)cc2)c2noc(C)n2)c1 Cc1cccc(c1)[*:1] Cc1nc(no1)[C@H](NC(=O)C=C[*:1])c1ccc(Cl)cc1
Cc1cccc(/C=C/C(=O)N[C@H](c2ccc(Cl)cc2)c2noc(C)n2)c1 Cc1nc(no1)[*:1] Cc1cccc(/C=C/C(=O)N[C@H](c2ccc(Cl)cc2)[*:1])c1
Cc1cccc(/C=C/C(=O)N[C@H](c2ccc(Cl)cc2)c2noc(C)n2)c1 Clc1ccc(cc1)[*:1] Cc1cccc(/C=C/C(=O)N[C@H](c2noc(C)n2)[*:1])c1
Cn1nc(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)ccc1=O Fc1cccc(c1)[*:1] Cn1nc(ccc1=O)C(=O)N1CCC[C@H](CC[*:1])C1
Cn1nc(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)ccc1=O Fc1cccc(c1)C[*:1] Cn1nc(ccc1=O)C(=O)N1CCC[C@@H](C1)C[*:1]
Cn1nc(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)ccc1=O Cn1nc(ccc1=O)[*:1] O=C(N1CCC[C@H](CCc2cccc(F)c2)C1)[*:1]
CC(C)C[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1 c1csc(c1)C[*:1] CC(C)C[C@@H](c1nnnn1[*:1])N1CCN(CC1)c1ccccc1
CC(C)C[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1 c1csc(c1)[*:1] CC(C)C[C@@H](c1nnnn1C[*:1])N1CCN(CC1)c1ccccc1
CC(C)C[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1 CC(C)[*:1] c1ccc(cc1)N1CCN(CC1)[C@@H](C[*:1])c1nnnn1Cc1cccs1
CC(C)C[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)C[C@@H](c1nnnn1Cc1cccs1)N1CCN(CC1)[*:1]
CC(C)C[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1 CC(C)C[*:1] c1ccc(cc1)N1CCN(CC1)[C@H](c1nnnn1Cc1cccs1)[*:1]
O=C(NCC[NH+]1CCOCC1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[NH+]1CCOCC1)C(c1ccccc1)[*:1]
CC(C)Oc1ncccc1NC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] CC(C)Oc1ncccc1NC(=O)N1CCOC[C@@H]1[*:1]
CC(C)Oc1ncccc1NC(=O)N1CCOC[C@H]1C1CC1 CC(C)[*:1] O=C(Nc1cccnc1O[*:1])N1CCOC[C@H]1C1CC1
CC(C)Oc1ncccc1NC(=O)N1CCOC[C@H]1C1CC1 CC(C)O[*:1] O=C(Nc1cccnc1[*:1])N1CCOC[C@H]1C1CC1
C[C@]1(CNc2ccc([N+](=O)[O-])c3ncccc23)CCCO1 O=[N+]([O-])[*:1] C[C@@]1(CCCO1)CNc1ccc(c2ncccc12)[*:1]
CS(=O)(=O)NC1CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 CS(=O)(=O)N[*:1] C1CC2(CC[NH2+]1)CCC(CC2)[NH+]1CCC(CC1)[*:1]
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2 CC(=O)O[*:1] CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@@H](O)[C@@H]([C@]2(C)[C@]12CO2)[*:1]
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2 CC(=O)O[*:1] CC(=O)O[C@@H]1[C@H](O)[C@@H]2O[C@@H]3C=C(C)CC[C@]3(C[*:1])[C@@]1(C)[C@]21CO1
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2 CC(=O)OC[*:1] CC(=O)O[C@@H]1[C@H](O)[C@@H]2O[C@@H]3C=C(C)CC[C@]3([C@@]1(C)[C@]21CO1)[*:1]
O=C(Cn1c(COc2ccc3ccccc3c2)nc2ccccc21)Nc1ccc2c(c1)OCCO2 c1ccc2cc(ccc2c1)[*:1] O=C(Cn1c(CO[*:1])nc2ccccc21)Nc1ccc2OCCOc2c1
O=C(Cn1c(COc2ccc3ccccc3c2)nc2ccccc21)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(Cn1c(COc2ccc3ccccc3c2)nc2ccccc21)N[*:1]
O=C(Cn1c(COc2ccc3ccccc3c2)nc2ccccc21)Nc1ccc2c(c1)OCCO2 c1ccc2cc(ccc2c1)O[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)Nc1ccc2OCCOc2c1
Cc1ccc(Cn2c(=O)[nH]c(N(C)C)[nH+]c2=O)cc1 CN(C)[*:1] Cc1ccc(cc1)Cn1c(=O)[nH]c([nH+]c1=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2cccs2)C1 c1csc(c1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2cccs2)C1 CC(C)(C)[*:1] O=C(c1cccs1)[C@@H]1CCCN(C1)C(=O)O[*:1]
CC[C@@H](C)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 Clc1ccc(s1)[*:1] CC[C@@H](C)NC(=O)Cc1csc(n1)[*:1]
CC[C@@H](C)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 CC[C@@H](C)[*:1] O=C(Cc1csc(n1)-c1ccc(Cl)s1)N[*:1]
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)cc1 C[C@@H](c1cccc(Cl)c1)[*:1] COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)[*:1])cc1
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)[*:1])cc1
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)C=C[*:1])C(=O)N(C)[C@@H](C)c1cccc(Cl)c1
CSCc1nnc(SCCc2ccccc2Cl)o1 CSC[*:1] Clc1ccccc1CCSc1nnc(o1)[*:1]
Cc1ccccc1C(=O)NCCC(=O)Nc1cccc(NC(N)=O)c1 NC(=O)N[*:1] Cc1ccccc1C(=O)NCCC(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1C(=O)NCCC(=O)Nc1cccc(NC(N)=O)c1 Cc1ccccc1[*:1] NC(=O)Nc1cccc(c1)NC(=O)CCNC(=O)[*:1]
COC(=O)c1cc(NC(=O)N2CCc3[nH]c[nH+]c3[C@@H]2c2cccc(F)c2F)ccc1Cl COC(=O)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])N1CCc2[nH]c[nH+]c2[C@@H]1c1cccc(F)c1F
COC(=O)c1cc(NC(=O)N2CCc3[nH]c[nH+]c3[C@@H]2c2cccc(F)c2F)ccc1Cl Fc1cccc(c1F)[*:1] COC(=O)c1cc(ccc1Cl)NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1[*:1]
Cc1nc2c(s1)[C@@H](NC[C@@H](O)c1cccc(OC(F)F)c1)CCC2 FC(F)[*:1] Cc1nc2CCC[C@H](NC[C@@H](O)c3cccc(c3)O[*:1])c2s1
Cc1nc2c(s1)[C@@H](NC[C@@H](O)c1cccc(OC(F)F)c1)CCC2 FC(F)O[*:1] Cc1nc2CCC[C@H](NC[C@@H](O)c3cccc(c3)[*:1])c2s1
O=C(CCNC(=O)C1=Cc2cc(F)ccc2OC1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCNC(=O)C1=Cc2cc(F)ccc2OC1)N[*:1]
Cc1ccc(NC(=O)c2cccc(-n3ccnc3)c2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cccc(c1)-n1ccnc1
Cc1ccc(NC(=O)c2cccc(-n3ccnc3)c2)cc1C(=O)N(C)C c1cn(cn1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)c1cccc(c1)[*:1]
COc1ccccc1NC(=O)c1ccc(Cn2cnc3ccccc3c2=O)o1 COc1ccccc1[*:1] O=C(N[*:1])c1ccc(Cn2cnc3ccccc3c2=O)o1
Nc1ncccc1C(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 c1ccc(cc1)O[*:1] Nc1ncccc1C(=O)N1CCC[C@@H](C1)c1cncc(n1)[*:1]
Nc1ncccc1C(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 c1ccc(cc1)[*:1] Nc1ncccc1C(=O)N1CCC[C@@H](C1)c1cncc(n1)O[*:1]
Nc1ncccc1C(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 Nc1ncccc1[*:1] O=C(N1CCC[C@@H](C1)c1cncc(n1)Oc1ccccc1)[*:1]
COc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1OC CC(=O)O[*:1] COc1ccc(cc1OC)C(=O)c1ccc(cc1)[*:1]
CCc1ccc(NC(=S)N(C)C2CCCCC2)cc1 C1CCC(CC1)[*:1] CCc1ccc(cc1)NC(=S)N(C)[*:1]
CCOC(=O)N[C@H](C(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)C CC(C)[C@@H](C#N)[*:1] CCOC(=O)N[C@H](C(=O)N1CCN(CC1)[*:1])C(C)C
CCOC(=O)N[C@H](C(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)C CCOC(=O)N[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)[C@H](C(C)C)[*:1]
CCOC(=O)N[C@H](C(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)C CC(C)[*:1] CCOC(=O)N[C@H](C(=O)N1CCN(CC1)[C@H](C#N)[*:1])C(C)C
CCOC(=O)N[C@H](C(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(C)C CC(C)[*:1] CCOC(=O)N[C@H](C(=O)N1CCN(CC1)[C@H](C#N)C(C)C)[*:1]
Cc1c(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCCC[C@@H]1c1nnc2CCCCn21
CC[S@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(n1)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(-c2ccccc2)n1 CC[S@](=O)[*:1] c1ccc(cc1)-n1ncc(C[NH2+][C@H]2CCCC[C@H]2[*:1])n1
Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc3c(c2)OCCO3)c1 N#CC[*:1] Cc1cc(C)cc(c1)N(C[*:1])C(=O)COC(=O)c1ccc2OCCOc2c1
Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc3c(c2)OCCO3)c1 N#CCC[*:1] Cc1cc(C)cc(c1)N(C(=O)COC(=O)c1ccc2OCCOc2c1)[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc3c(c2)OCCO3)c1 Cc1cc(C)cc(c1)[*:1] N#CCCN(C(=O)COC(=O)c1ccc2OCCOc2c1)[*:1]
CCCCN(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCN(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[*:1]
CCCCN(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)C[*:1] CCCCN(C(=O)[C@H]1CC(=O)N(C1)[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C1C[C@@H](CN1Cc1ccco1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C1C[C@@H](CN1Cc1ccco1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] CCCCN(C(=O)[C@H]1CC(=O)N(C1)C[*:1])[C@H]1CCS(=O)(=O)C1
FC(F)c1nnc2ccc(Sc3nc4ccccc4s3)nn12 FC(F)[*:1] c1ccc2sc(nc2c1)Sc1ccc2nnc(n2n1)[*:1]
CC(=O)c1ccc2cc(OCCn3cc[nH+]c3)ccc2c1 CC(=O)[*:1] c1cn(c[nH+]1)CCOc1ccc2cc(ccc2c1)[*:1]
O=C(NC[C@@H](O)c1ccc(F)cc1)NCC1(c2ccccc2F)CC1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](O)[*:1])NCC1(CC1)c1ccccc1F
O=C(NC[C@@H](O)c1ccc(F)cc1)NCC1(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(NC[C@@H](O)c1ccc(F)cc1)NCC1(CC1)[*:1]
COC(=O)[C@H]1Cc2ccccc2N1C(=O)[C@H](C)Oc1ccccc1 c1ccc(cc1)O[*:1] COC(=O)[C@H]1Cc2ccccc2N1C(=O)[C@H](C)[*:1]
COC(=O)[C@H]1Cc2ccccc2N1C(=O)[C@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H]1Cc2ccccc2N1C(=O)[C@H](C)O[*:1]
COC(=O)[C@H]1Cc2ccccc2N1C(=O)[C@H](C)Oc1ccccc1 COC(=O)[*:1] C[C@H](Oc1ccccc1)C(=O)N1c2ccccc2C[C@@H]1[*:1]
COc1ccccc1Oc1cncc([C@H]2CCCN(Cc3cn(C)nc3C)C2)n1 Cc1nn(C)cc1[*:1] COc1ccccc1Oc1cncc(n1)[C@H]1CCCN(C1)C[*:1]
COc1ccccc1Oc1cncc([C@H]2CCCN(Cc3cn(C)nc3C)C2)n1 COc1ccccc1[*:1] Cc1nn(C)cc1CN1CCC[C@@H](C1)c1cncc(n1)O[*:1]
COc1ccccc1Oc1cncc([C@H]2CCCN(Cc3cn(C)nc3C)C2)n1 Cc1nn(C)cc1C[*:1] COc1ccccc1Oc1cncc(n1)[C@H]1CCCN(C1)[*:1]
COc1ccccc1Oc1cncc([C@H]2CCCN(Cc3cn(C)nc3C)C2)n1 COc1ccccc1O[*:1] Cc1nn(C)cc1CN1CCC[C@@H](C1)c1cncc(n1)[*:1]
CC(C)[C@H]1CC[C@H](O)[C@H](Cc2ccc3ccccc3n2)C1 CC(C)[*:1] O[C@H]1CC[C@@H](C[C@H]1Cc1ccc2ccccc2n1)[*:1]
O=C(Nc1ccc(Oc2ccccc2)cn1)c1ccncc1F c1ccc(cc1)[*:1] O=C(Nc1ccc(cn1)O[*:1])c1ccncc1F
O=C(Nc1ccc(Oc2ccccc2)cn1)c1ccncc1F c1ccc(cc1)O[*:1] O=C(Nc1ccc(cn1)[*:1])c1ccncc1F
O=C(Nc1ccc(Oc2ccccc2)cn1)c1ccncc1F Fc1cnccc1[*:1] O=C(Nc1ccc(cn1)Oc1ccccc1)[*:1]
CCC(=O)CC[C@@H]1CCc2cccnc21 CCC(=O)[*:1] c1cnc2c(c1)CC[C@H]2CC[*:1]
CCC(=O)CC[C@@H]1CCc2cccnc21 CCC(=O)C[*:1] c1cnc2c(c1)CC[C@H]2C[*:1]
Cc1ccc(CNC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)CSc1nc(cs1)CC(=O)N[*:1]
Cc1ccc(CNC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CSc1nc(cs1)CC(=O)NC[*:1]
Cc1ccc(CNC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)Cc1csc(n1)SC[*:1]
Cc1ccc(CNC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)CNC(=O)Cc1csc(n1)S[*:1]
COC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 COC(=O)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)Nc1cc(Cl)ccc1[*:1]
COCCCNC(=O)CN1CCN(C(=O)c2oc3ccccc3c2C)CC1 COC[*:1] Cc1c(oc2ccccc12)C(=O)N1CCN(CC1)CC(=O)NCC[*:1]
COCCCNC(=O)CN1CCN(C(=O)c2oc3ccccc3c2C)CC1 COCCC[*:1] Cc1c(oc2ccccc12)C(=O)N1CCN(CC1)CC(=O)N[*:1]
COCCCNC(=O)CN1CCN(C(=O)c2oc3ccccc3c2C)CC1 COCC[*:1] Cc1c(oc2ccccc12)C(=O)N1CCN(CC1)CC(=O)NC[*:1]
COCCCNC(=O)CN1CCN(C(=O)c2oc3ccccc3c2C)CC1 COCCCNC(=O)[*:1] Cc1c(oc2ccccc12)C(=O)N1CCN(CC1)C[*:1]
COCCCNC(=O)CN1CCN(C(=O)c2oc3ccccc3c2C)CC1 COCCCNC(=O)C[*:1] Cc1c(oc2ccccc12)C(=O)N1CCN(CC1)[*:1]
COc1cccc(CN(C)C(=O)CNc2cccc(F)c2)c1OC Fc1cccc(c1)N[*:1] COc1cccc(CN(C)C(=O)C[*:1])c1OC
COc1cccc(CN(C)C(=O)CNc2cccc(F)c2)c1OC Fc1cccc(c1)[*:1] COc1cccc(CN(C)C(=O)CN[*:1])c1OC
CC[C@@H](C)c1ccccc1Oc1nc(Cl)ncc1F CC[C@@H](C)[*:1] Fc1cnc(Cl)nc1Oc1ccccc1[*:1]
c1ccc(CCc2nc(CCn3cc[nH+]c3)n(-c3ccc4c(c3)OCO4)n2)cc1 c1ccc(cc1)CC[*:1] c1cn(c[nH+]1)CCc1nc(nn1-c1ccc2OCOc2c1)[*:1]
c1ccc(CCc2nc(CCn3cc[nH+]c3)n(-c3ccc4c(c3)OCO4)n2)cc1 c1ccc(cc1)[*:1] c1cn(c[nH+]1)CCc1nc(CC[*:1])nn1-c1ccc2OCOc2c1
c1ccc(CCc2nc(CCn3cc[nH+]c3)n(-c3ccc4c(c3)OCO4)n2)cc1 c1cc2OCOc2cc1[*:1] c1ccc(cc1)CCc1nc(CCn2cc[nH+]c2)n(n1)[*:1]
c1ccc(CCc2nc(CCn3cc[nH+]c3)n(-c3ccc4c(c3)OCO4)n2)cc1 c1ccc(cc1)C[*:1] c1cn(c[nH+]1)CCc1nc(C[*:1])nn1-c1ccc2OCOc2c1
CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1 c1cc(ccn1)[*:1] CC(C)NC(=O)NCc1ccc(cc1)C(=O)N[C@H](C)[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1 C[C@H](c1ccncc1)[*:1] CC(C)NC(=O)NCc1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1 CC(C)[*:1] C[C@@H](NC(=O)c1ccc(cc1)CNC(=O)N[*:1])c1ccncc1
CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1 CC(C)NC(=O)N[*:1] C[C@@H](NC(=O)c1ccc(cc1)C[*:1])c1ccncc1
CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](C)c2ccncc2)cc1 CC(C)NC(=O)NC[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccncc1
COC(=O)Cn1c2ccc(OC)cc2c2nc(C)sc21 COC(=O)C[*:1] COc1ccc2c(c1)c1nc(C)sc1n2[*:1]
COC(=O)Cn1c2ccc(OC)cc2c2nc(C)sc21 COC(=O)[*:1] COc1ccc2c(c1)c1nc(C)sc1n2C[*:1]
COC(=O)[C@]1(C)C[C@H](C(=O)N(C)Cc2cc(C)no2)[C@H](c2ccccc2C)N1C Cc1ccccc1[*:1] COC(=O)[C@]1(C)C[C@H](C(=O)N(C)Cc2cc(C)no2)[C@H](N1C)[*:1]
COC(=O)[C@]1(C)C[C@H](C(=O)N(C)Cc2cc(C)no2)[C@H](c2ccccc2C)N1C COC(=O)[*:1] Cc1cc(CN(C)C(=O)[C@H]2C[C@@](C)(N(C)[C@H]2c2ccccc2C)[*:1])on1
COC(=O)[C@]1(C)C[C@H](C(=O)N(C)Cc2cc(C)no2)[C@H](c2ccccc2C)N1C Cc1cc(on1)[*:1] COC(=O)[C@]1(C)C[C@H](C(=O)N(C)C[*:1])[C@H](c2ccccc2C)N1C
COC(=O)[C@]1(C)C[C@H](C(=O)N(C)Cc2cc(C)no2)[C@H](c2ccccc2C)N1C Cc1cc(C[*:1])on1 COC(=O)[C@]1(C)C[C@H](C(=O)N(C)[*:1])[C@H](c2ccccc2C)N1C
O=C(Nc1ccc(F)cc1OCC(F)F)[C@@H]1Cc2cc(F)ccc2O1 FC(F)C[*:1] O=C(Nc1ccc(F)cc1O[*:1])[C@@H]1Cc2cc(F)ccc2O1
O=C(Nc1ccc(F)cc1OCC(F)F)[C@@H]1Cc2cc(F)ccc2O1 FC(F)[*:1] O=C(Nc1ccc(F)cc1OC[*:1])[C@@H]1Cc2cc(F)ccc2O1
O=C(Nc1ccc(F)cc1OCC(F)F)[C@@H]1Cc2cc(F)ccc2O1 FC(F)CO[*:1] O=C(Nc1ccc(F)cc1[*:1])[C@@H]1Cc2cc(F)ccc2O1
O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(CC1)[*:1]
O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@H]1C[C@H]1[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(CC1)OC[*:1]
O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(CC1)O[*:1]
C[C@H]1C[C@H]1c1ccc([C@H](O)Cc2ccc(O)cc2)o1 C[C@H]1C[C@@H]1[*:1] Oc1ccc(cc1)C[C@@H](O)c1ccc(o1)[*:1]
NC1=NC(=O)[C@@H](CC(=O)N2CCCCC[C@H]2c2ccncc2)S1 c1cc(ccn1)[*:1] NC1=NC(=O)[C@@H](CC(=O)N2CCCCC[C@@H]2[*:1])S1
O=C(CCl)NNC(=O)Cn1nnc(N2CCCCC2)n1 C1CCN(CC1)[*:1] O=C(CCl)NNC(=O)Cn1nnc(n1)[*:1]
C=CCN1CCN(C(=O)COc2ccc(OC)cc2)c2cccnc21 COc1ccc(cc1)[*:1] C=CCN1CCN(C(=O)CO[*:1])c2cccnc21
C=CCN1CCN(C(=O)COc2ccc(OC)cc2)c2cccnc21 C=CC[*:1] COc1ccc(cc1)OCC(=O)N1CCN(c2ncccc21)[*:1]
CN(C)C(=O)CCn1ccc2cc[nH+]cc21 CN(C)C(=O)[*:1] c1cc2ccn(CC[*:1])c2c[nH+]1
CCC[C@H]1CN(Cc2cccc(O)c2)CCO1 CCC[*:1] Oc1cccc(c1)CN1CCO[C@H](C1)[*:1]
Cc1nccn1-c1cc(N2CCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)ncn1 c1coc(c1)[*:1] Cc1nccn1-c1cc(ncn1)N1CCC(CC1)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1nccn1-c1cc(N2CCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)ncn1 Cc1nccn1[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)C1CCN(CC1)c1cc(ncn1)[*:1]
O=C(C[C@@H]1CCCO1)NCCNC(=O)C1CC1 C1CO[C@@H](C1)[*:1] O=C(C[*:1])NCCNC(=O)C1CC1
O=C(C[C@@H]1CCCO1)NCCNC(=O)C1CC1 C1CC1[*:1] O=C(C[C@@H]1CCCO1)NCCNC(=O)[*:1]
Cc1ccc(C)c(NC(=O)c2cccn2Cc2noc(C3CC3)n2)c1 C1CC1c1nc(no1)[*:1] Cc1ccc(C)c(c1)NC(=O)c1cccn1C[*:1]
Cc1ccc(C)c(NC(=O)c2cccn2Cc2noc(C3CC3)n2)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[*:1])c1cccn1Cc1noc(n1)C1CC1
Cc1ccc(C)c(NC(=O)c2cccn2Cc2noc(C3CC3)n2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)NC(=O)c1cccn1Cc1noc(n1)[*:1]
CCN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 CC(C)(C)[*:1] CCN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
CCN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 c1cnn(c1)CC[*:1] CCN(C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)C(C)(C)C)O2)[*:1]
CCN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 c1cnn(c1)C[*:1] CCN(C[*:1])C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)C(C)(C)C)O2
CCN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 c1cnn(c1)[*:1] CCN(CC[*:1])C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)C(C)(C)C)O2
C[NH2+][C@@H](C)c1ccc(Sc2nnnn2C2CC2)c(F)c1 C1CC1[*:1] C[NH2+][C@@H](C)c1ccc(Sc2nnnn2[*:1])c(F)c1
N#C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1nnc2n1CCCCC2 Clc1ccc(cc1Cl)[*:1] N#C[C@@H](C(=O)N[*:1])c1nnc2CCCCCn21
Cn1cc(NC(=O)N[C@H](c2cccs2)C(C)(C)C)cn1 c1csc(c1)[*:1] Cn1cc(cn1)NC(=O)N[C@H](C(C)(C)C)[*:1]
Cn1cc(NC(=O)N[C@H](c2cccs2)C(C)(C)C)cn1 CC(C)(C)[*:1] Cn1cc(cn1)NC(=O)N[C@H](c1cccs1)[*:1]
Cn1cc(NC(=O)N[C@H](c2cccs2)C(C)(C)C)cn1 Cn1cc(cn1)[*:1] CC(C)(C)[C@H](NC(=O)N[*:1])c1cccs1
c1cncc(C[NH2+]Cc2ccc(OCc3cccs3)cc2)c1 c1csc(c1)C[*:1] c1cncc(c1)C[NH2+]Cc1ccc(cc1)O[*:1]
c1cncc(C[NH2+]Cc2ccc(OCc3cccs3)cc2)c1 c1cncc(c1)C[*:1] c1csc(c1)COc1ccc(cc1)C[NH2+][*:1]
c1cncc(C[NH2+]Cc2ccc(OCc3cccs3)cc2)c1 c1csc(c1)[*:1] c1cncc(c1)C[NH2+]Cc1ccc(cc1)OC[*:1]
c1cncc(C[NH2+]Cc2ccc(OCc3cccs3)cc2)c1 c1csc(c1)CO[*:1] c1cncc(c1)C[NH2+]Cc1ccc(cc1)[*:1]
c1cncc(C[NH2+]Cc2ccc(OCc3cccs3)cc2)c1 c1cncc(c1)[*:1] c1csc(c1)COc1ccc(cc1)C[NH2+]C[*:1]
CCC(CC)(CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCC(CC)(CO)Nc1ccc(cc1[*:1])[N+](=O)[O-]
CCC(CC)(CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCC(CC)(CO)Nc1ccc(cc1[N+](=O)[O-])[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NCCC[NH+]2CCCCC2)c1 CC(=O)N(C)[*:1] O=C(NCCC[NH+]1CCCCC1)Nc1cccc(c1)C[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NCCC[NH+]2CCCCC2)c1 CC(=O)N(C)C[*:1] O=C(NCCC[NH+]1CCCCC1)Nc1cccc(c1)[*:1]
OC1(C(F)(F)F)CC[NH+](CCCCC(F)(F)F)CC1 FC(F)(F)[*:1] OC1(CC[NH+](CCCCC(F)(F)F)CC1)[*:1]
OC1(C(F)(F)F)CC[NH+](CCCCC(F)(F)F)CC1 FC(F)(F)[*:1] OC1(CC[NH+](CCCC[*:1])CC1)C(F)(F)F
OC1(C(F)(F)F)CC[NH+](CCCCC(F)(F)F)CC1 FC(F)(F)CC[*:1] OC1(CC[NH+](CC1)CC[*:1])C(F)(F)F
OC1(C(F)(F)F)CC[NH+](CCCCC(F)(F)F)CC1 FC(F)(F)C[*:1] OC1(CC[NH+](CCC[*:1])CC1)C(F)(F)F
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3ccccn23)cc1 NS(=O)(=O)[*:1] O=C(CSc1nnc2ccccn12)Nc1ccc(cc1)[*:1]
CCN(CC(C)(C)O)C(=O)C(C)(C)/C(N)=N/O CC(C)(O)[*:1] CCN(C[*:1])C(=O)C(C)(C)/C(N)=N/O
CCN(CC(C)(C)O)C(=O)C(C)(C)/C(N)=N/O N/C(=N\O)[*:1] CCN(CC(C)(C)O)C(=O)C(C)(C)[*:1]
CCN(CC(C)(C)O)C(=O)C(C)(C)/C(N)=N/O CC(C)(O)C[*:1] CCN(C(=O)C(C)(C)/C(N)=N/O)[*:1]
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(C(=O)NC2CCCCC2)c1 Clc1ccc(cc1)[*:1] O=C(C=C[*:1])NC(=S)Nc1cccc(c1)C(=O)NC1CCCCC1
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(C(=O)NC2CCCCC2)c1 Clc1ccc(C=C[*:1])cc1 O=C(NC1CCCCC1)c1cccc(c1)NC(=S)NC(=O)[*:1]
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(C(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(c1)C(=O)N[*:1]
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(C(=O)NC2CCCCC2)c1 O=C(NC1CCCCC1)[*:1] O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(c1)[*:1]
O=C(NCCNC(=O)c1ccco1)NCCC12CC3CC(CC(C3)C1)C2 O=C(N[*:1])c1ccco1 O=C(NCCC12CC3CC(CC(C3)C1)C2)NCC[*:1]
O=C(NCCNC(=O)c1ccco1)NCCC12CC3CC(CC(C3)C1)C2 c1coc(c1)[*:1] O=C(NCCNC(=O)[*:1])NCCC12CC3CC(CC(C3)C1)C2
CCCC(=O)Nc1ccccc1NC(=O)c1cc(OC)cc(OC)c1 CCCC(=O)N[*:1] COc1cc(cc(c1)C(=O)Nc1ccccc1[*:1])OC
CCCC(=O)Nc1ccccc1NC(=O)c1cc(OC)cc(OC)c1 CCC[*:1] COc1cc(cc(c1)C(=O)Nc1ccccc1NC(=O)[*:1])OC
O=C(NCCc1cccc(F)c1)N[C@H](CCO)c1ccccc1 OCC[*:1] O=C(NCCc1cccc(F)c1)N[C@H](c1ccccc1)[*:1]
O=C(NCCc1cccc(F)c1)N[C@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1cccc(F)c1)N[C@H](CCO)[*:1]
O=C(NCCc1cccc(F)c1)N[C@H](CCO)c1ccccc1 Fc1cccc(c1)[*:1] O=C(NCC[*:1])N[C@H](CCO)c1ccccc1
C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(C)Cc2cccs2)CC1=O c1csc(c1)C[*:1] C[C@H](c1ccccc1)N1C[C@H](CC1=O)C(=O)N(C)[*:1]
C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(C)Cc2cccs2)CC1=O c1ccc(cc1)[*:1] C[C@H](N1C[C@H](CC1=O)C(=O)N(C)Cc1cccs1)[*:1]
C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(C)Cc2cccs2)CC1=O c1csc(c1)[*:1] C[C@H](c1ccccc1)N1C[C@H](CC1=O)C(=O)N(C)C[*:1]
C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(C)Cc2cccs2)CC1=O C[C@H](c1ccccc1)[*:1] CN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CCN[C@@]1(C(=O)OC)CC[C@H](Sc2n[nH]c(=O)n2C)C1 COC(=O)[*:1] CCN[C@]1(CC[C@@H](C1)Sc1n[nH]c(=O)n1C)[*:1]
CCN[C@@]1(C(=O)OC)CC[C@H](Sc2n[nH]c(=O)n2C)C1 CCN[*:1] COC(=O)[C@]1(CC[C@@H](C1)Sc1n[nH]c(=O)n1C)[*:1]
Cc1ccsc1C(=O)NNC(=O)NCCc1cc(F)ccc1F Cc1ccsc1[*:1] O=C(NCCc1cc(F)ccc1F)NNC(=O)[*:1]
CCOC(=O)CCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 CCOC(=O)C[*:1] O=C(NCC[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CCOC(=O)CCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 CCOC(=O)[*:1] O=C(NCCC[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CCOC(=O)CCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 CCOC(=O)CC[*:1] O=C(NC[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
O=C(NCc1cccc(Cn2ccnc2)c1)[C@H]1Cc2ccccc2O1 c1cn(cn1)[*:1] O=C(NCc1cccc(c1)C[*:1])[C@H]1Cc2ccccc2O1
O=C(NCc1cccc(Cn2ccnc2)c1)[C@H]1Cc2ccccc2O1 c1cn(cn1)C[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1Cc2ccccc2O1
N#CCCN(CCC#N)S(=O)(=O)c1cccs1 N#CC[*:1] N#CCCN(C[*:1])S(=O)(=O)c1cccs1
N#CCCN(CCC#N)S(=O)(=O)c1cccs1 N#CCC[*:1] N#CCCN(S(=O)(=O)c1cccs1)[*:1]
N#CCCN(CCC#N)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] N#CCCN(CCC#N)S(=O)(=O)[*:1]
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@](C)(O)c1ccc(F)cc1 O=C(N[*:1])c1ccco1 CC(C)[C@@H](C(=O)NC[C@](C)(O)c1ccc(F)cc1)[*:1]
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@](C)(O)c1ccc(F)cc1 CC(C)[*:1] C[C@](O)(CNC(=O)[C@H](NC(=O)c1ccco1)[*:1])c1ccc(F)cc1
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@](C)(O)[*:1]
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@](C)(O)c1ccc(F)cc1 c1coc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NC[C@](C)(O)c1ccc(F)cc1
C[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)Nc1ccc2c(c1)OCCO2 Fc1cccc(c1)[*:1] C[C@H](Sc1nccn1[*:1])C(=O)Nc1ccc2OCCOc2c1
COc1ccccc1CCC(=O)Nc1nc(-c2ccccn2)cs1 COc1ccccc1[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1ccccn1
COc1ccccc1CCC(=O)Nc1nc(-c2ccccn2)cs1 c1ccc(nc1)[*:1] COc1ccccc1CCC(=O)Nc1nc(cs1)[*:1]
CS(=O)(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CS(=O)(=O)NCc1cccc(c1)NC(=O)[*:1]
CS(=O)(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 CS(=O)(=O)N[*:1] O=C(Nc1cccc(c1)C[*:1])c1cccc(F)c1
CS(=O)(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 CS(=O)(=O)NC[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(F)c1
CCc1ccccc1NC(=O)CNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 CCc1ccccc1[*:1] O=C(CNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21)N[*:1]
COc1ccc2c(c1)C(=O)CC21CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] COc1ccc2c(c1)C(=O)CC21CCN(CC1)C(=O)O[*:1]
CN(C)c1cccc(C[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 CN(C)[*:1] c1cc(cc(c1)[*:1])C[NH2+]Cc1cnc(nc1)N1CCOCC1
CN(C)c1cccc(C[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 C1CN(CCO1)[*:1] CN(C)c1cccc(c1)C[NH2+]Cc1cnc(nc1)[*:1]
CC(C)c1cccc(N[C@@H]2CCOC3(CCOCC3)C2)c1 CC(C)[*:1] c1cc(cc(c1)[*:1])N[C@@H]1CCOC2(CCOCC2)C1
O=C(Cl)C1CCSCC1 O=C(Cl)[*:1] C1CC(CCS1)[*:1]
CN(CCc1cn[nH]c1)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 c1n[nH]cc1[*:1] CN(CC[*:1])C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1
CN(CCc1cn[nH]c1)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 c1n[nH]cc1CC[*:1] CN(C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1)[*:1]
CN(CCc1cn[nH]c1)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CN(CCc1cn[nH]c1)C(=O)C[C@H](c1ccc(Cl)cc1)[*:1]
CN(CCc1cn[nH]c1)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(CCc1cn[nH]c1)C(=O)C[C@H](c1ccccc1)[*:1]
CN(CCc1cn[nH]c1)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 c1n[nH]cc1C[*:1] CN(C[*:1])C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1
C#Cc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] C#Cc1cccc(c1)NS(=O)(=O)c1ccc(F)c(c1)[*:1]
O=C(c1ccsc1)N(CCc1cccc(F)c1)C1CC1 C1CC1[*:1] O=C(c1ccsc1)N(CCc1cccc(F)c1)[*:1]
O=C(c1ccsc1)N(CCc1cccc(F)c1)C1CC1 c1cc(cs1)[*:1] O=C(N(CCc1cccc(F)c1)C1CC1)[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)N1C[C@@H](O)C[C@H]1C1CCCCC1 FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])N1C[C@@H](O)C[C@H]1C1CCCCC1
O=C(Nc1nnc(C(F)(F)F)s1)N1C[C@@H](O)C[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1nnc(s1)C(F)(F)F)N1C[C@@H](O)C[C@@H]1[*:1]
COc1ccc(Br)cc1CNC(=O)Nc1cc(C)nn1C Cc1cc(n(C)n1)[*:1] COc1ccc(Br)cc1CNC(=O)N[*:1]
CCn1nc(C)c([C@H](C)n2cnc(-c3ccccc3)c2-c2cccnc2)c1C CCn1nc(C)c(c1C)[*:1] C[C@H](n1cnc(-c2ccccc2)c1-c1cccnc1)[*:1]
CCn1nc(C)c([C@H](C)n2cnc(-c3ccccc3)c2-c2cccnc2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(c1C)[C@H](C)n1cnc(c1-c1cccnc1)[*:1]
CCn1nc(C)c([C@H](C)n2cnc(-c3ccccc3)c2-c2cccnc2)c1C c1cncc(c1)[*:1] CCn1nc(C)c(c1C)[C@H](C)n1cnc(-c2ccccc2)c1[*:1]
Cc1ccccc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1C(=O)Nc1ccc(Cl)cc1[*:1]
O=C(NCCC(=O)N1CCOC[C@@H]1C1CC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(CCNC(=O)[*:1])N1CCOC[C@@H]1C1CC1
O=C(NCCC(=O)N1CCOC[C@@H]1C1CC1)C1CCCCC1 C1CC1[*:1] O=C(NCCC(=O)N1CCOC[C@H]1[*:1])C1CCCCC1
Cc1ccc(-c2nnn(C[C@H](O)COCc3cccs3)n2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)-c1nnn(C[C@H](O)COC[*:1])n1
Cc1ccc(-c2nnn(C[C@H](O)COCc3cccs3)n2)cc1 Cc1ccc(cc1)[*:1] O[C@H](COCc1cccs1)Cn1nnc(n1)[*:1]
Cc1ccc(-c2nnn(C[C@H](O)COCc3cccs3)n2)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)-c1nnn(C[C@H](O)CO[*:1])n1
Cc1ccc(-c2nnn(C[C@H](O)COCc3cccs3)n2)cc1 c1csc(c1)CO[*:1] Cc1ccc(cc1)-c1nnn(C[C@H](O)C[*:1])n1
CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1 Fc1ccc(cc1)CN[*:1] CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1[*:1]
CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N[*:1]
CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NC[*:1]
CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1 CCN(CC)C(=O)[*:1] Fc1ccc(cc1)CNc1c(cnc2ccc(Cl)cc12)[*:1]
CC(C)[NH2+]C[C@H]1CCO[C@@H]1c1ccc(F)c(Br)c1 CC(C)[*:1] Fc1ccc(cc1Br)[C@H]1OCC[C@@H]1C[NH2+][*:1]
CC(C)[C@@H](C)NC(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 CC(C)[*:1] C[C@@H](NC(=O)Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
CC(C)[C@@H](C)NC(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 CC(C)[C@@H](C)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N[*:1]
CCCCCNC(=O)C[NH+]1CCCNCC1 CCCC[*:1] O=C(C[NH+]1CCCNCC1)NC[*:1]
CCCCCNC(=O)C[NH+]1CCCNCC1 CCCCC[*:1] O=C(C[NH+]1CCCNCC1)N[*:1]
CCCCCNC(=O)C[NH+]1CCCNCC1 CCC[*:1] O=C(C[NH+]1CCCNCC1)NCC[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)C1 C[C@H]1C[C@H]1C(=O)N[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)C1 CC(=O)N[*:1] C[C@H]1C[C@H]1C(=O)Nc1cccc(c1)C(=O)N1CCC[C@@H](C1)C[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)C1 CC(=O)NC[*:1] C[C@H]1C[C@H]1C(=O)Nc1cccc(c1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1cc(OCCCC(N)=S)cc(C)c1Cl NC(=S)[*:1] Cc1cc(cc(C)c1Cl)OCCC[*:1]
Cc1cc(OCCCC(N)=S)cc(C)c1Cl NC(=S)CC[*:1] Cc1cc(cc(C)c1Cl)OC[*:1]
Cc1cc(OCCCC(N)=S)cc(C)c1Cl NC(=S)C[*:1] Cc1cc(cc(C)c1Cl)OCC[*:1]
CC[NH+]1CCN(C(=O)NC[C@@H](C)Oc2ccccc2C)CC1 Cc1ccccc1[*:1] CC[NH+]1CCN(CC1)C(=O)NC[C@@H](C)O[*:1]
CCn1c(=O)c(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(N)n(Cc2ccccc2)c1=O Fc1ccc(cc1)[*:1] CCn1c(=O)c(C(=O)Cn2nnc(n2)[*:1])c(N)n(Cc2ccccc2)c1=O
CCn1c(=O)c(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(N)n(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] CCn1c(=O)c(C(=O)Cn2nnc(n2)-c2ccc(F)cc2)c(N)n(c1=O)[*:1]
CCn1c(=O)c(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(N)n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] CCn1c(=O)c(C(=O)Cn2nnc(n2)-c2ccc(F)cc2)c(N)n(C[*:1])c1=O
CNC(=O)CN(C)C(=O)[C@H](C)Oc1ccc(SC)cc1 CNC(=O)[*:1] CSc1ccc(cc1)O[C@@H](C)C(=O)N(C)C[*:1]
CNC(=O)CN(C)C(=O)[C@H](C)Oc1ccc(SC)cc1 CNC(=O)C[*:1] CSc1ccc(cc1)O[C@@H](C)C(=O)N(C)[*:1]
O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2cccc(F)c2)CC1 Clc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccc(F)c1
O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(Nc1ccccc1Cl)C1CCN(CC1)C(=O)[*:1]
CCCCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccco2)CC1 CCCC[*:1] C[C@@H](C[*:1])NC(=O)C1CCN(CC1)C(=O)c1ccco1
CCCCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccco2)CC1 CCCCC[*:1] C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccco1)[*:1]
CCCCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccco2)CC1 CCCCC[C@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccco1
CCCCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CCCCC[C@H](C)NC(=O)C1CCN(CC1)C(=O)[*:1]
CCCCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccco2)CC1 CCC[*:1] C[C@@H](CC[*:1])NC(=O)C1CCN(CC1)C(=O)c1ccco1
C[C@H]1CCc2ccc(OC(F)F)cc2C(=O)[C@H]1C FC(F)[*:1] C[C@H]1CCc2ccc(cc2C(=O)[C@H]1C)O[*:1]
C[C@H]1CCc2ccc(OC(F)F)cc2C(=O)[C@H]1C FC(F)O[*:1] C[C@H]1CCc2ccc(cc2C(=O)[C@H]1C)[*:1]
CCCCNC(=O)N1CCCC[C@H]1c1nc(CCCC)no1 CCC[*:1] CCCCc1noc(n1)[C@@H]1CCCCN1C(=O)NC[*:1]
CCCCNC(=O)N1CCCC[C@H]1c1nc(CCCC)no1 CCCC[*:1] CCCCNC(=O)N1CCCC[C@H]1c1nc(no1)[*:1]
CCCCNC(=O)N1CCCC[C@H]1c1nc(CCCC)no1 CCC[*:1] CCCCNC(=O)N1CCCC[C@H]1c1nc(C[*:1])no1
CCCCNC(=O)N1CCCC[C@H]1c1nc(CCCC)no1 CCCC[*:1] CCCCc1noc(n1)[C@@H]1CCCCN1C(=O)N[*:1]
CC[C@@H](C)N(Cc1ccsc1)C(=O)c1cnn(CC)c1 c1cc(cs1)C[*:1] CC[C@@H](C)N(C(=O)c1cnn(c1)CC)[*:1]
CC[C@@H](C)N(Cc1ccsc1)C(=O)c1cnn(CC)c1 CC[C@@H](C)[*:1] CCn1cc(cn1)C(=O)N(Cc1ccsc1)[*:1]
CC[C@@H](C)N(Cc1ccsc1)C(=O)c1cnn(CC)c1 c1cc(cs1)[*:1] CC[C@@H](C)N(C[*:1])C(=O)c1cnn(c1)CC
C[C@@H](C(=O)Nc1ccnn1Cc1ccsc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)Nc1ccnn1C[*:1])c1ccsc1
C[C@@H](C(=O)Nc1ccnn1Cc1ccsc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)Nc1ccnn1Cc1ccsc1)[*:1]
C[C@@H](C(=O)Nc1ccnn1Cc1ccsc1)c1ccsc1 c1cc(cs1)C[*:1] C[C@@H](C(=O)Nc1ccnn1[*:1])c1ccsc1
C[C@@H](C(=O)Nc1ccnn1Cc1ccsc1)c1ccsc1 C[C@@H](c1ccsc1)[*:1] O=C(Nc1ccnn1Cc1ccsc1)[*:1]
Cc1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)C4CCC4)C3)c2n1 C1CC(C1)[*:1] Cc1nc(O)c2nnn(C[C@@H]3CCCN(C3)C(=O)[*:1])c2n1
CC(C)C[C@@H](C)OC(=O)CCc1nc2c(F)cccc2[nH]1 CC(C)[*:1] C[C@H](C[*:1])OC(=O)CCc1nc2c(F)cccc2[nH]1
CC(C)C[C@@H](C)OC(=O)CCc1nc2c(F)cccc2[nH]1 CC(C)C[*:1] C[C@@H](OC(=O)CCc1nc2c(F)cccc2[nH]1)[*:1]
CC(C)C[C@@H](C)OC(=O)CCc1nc2c(F)cccc2[nH]1 CC(C)C[C@@H](C)[*:1] O=C(CCc1nc2c(F)cccc2[nH]1)O[*:1]
Nc1c([N+](=O)[O-])cnn1-c1ncnc2[nH]cnc12 O=[N+]([O-])[*:1] Nc1c(cnn1-c1ncnc2[nH]cnc12)[*:1]
CC(=O)Nc1cccc(NC(=O)N2CCN(Cc3cccs3)CC2)c1C c1csc(c1)[*:1] CC(=O)Nc1cccc(NC(=O)N2CCN(CC2)C[*:1])c1C
CC(=O)Nc1cccc(NC(=O)N2CCN(Cc3cccs3)CC2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)N1CCN(CC1)Cc1cccs1
CC(=O)Nc1cccc(NC(=O)N2CCN(Cc3cccs3)CC2)c1C c1csc(c1)C[*:1] CC(=O)Nc1cccc(NC(=O)N2CCN(CC2)[*:1])c1C
CCCS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 CCC[*:1] O=S(=O)(c1ccc(F)cc1)N1CCCc2ccc(cc21)NS(=O)(=O)[*:1]
CCCS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 CCCS(=O)(=O)N[*:1] O=S(=O)(c1ccc(F)cc1)N1CCCc2ccc(cc21)[*:1]
CCCS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 Fc1ccc(cc1)[*:1] CCCS(=O)(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)[*:1]
CCn1c2ccccc2c2cc(NC(=O)COC(=O)Cc3ccccc3F)ccc21 Fc1ccccc1[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)COC(=O)C[*:1]
CCn1c2ccccc2c2cc(NC(=O)COC(=O)Cc3ccccc3F)ccc21 Fc1ccccc1C[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)COC(=O)[*:1]
O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N[C@@H]1CCCC[C@@H]1CO Fc1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)O[*:1])N[C@@H]1CCCC[C@@H]1CO
O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N[C@@H]1CCCC[C@@H]1CO Fc1ccc(cc1)O[*:1] O=C(NCc1ccnc(c1)[*:1])N[C@@H]1CCCC[C@@H]1CO
CC(=O)Nc1ccc(CC(=O)N(C)Cc2nccs2)cc1 c1csc(C[*:1])n1 CC(=O)Nc1ccc(cc1)CC(=O)N(C)[*:1]
CC(=O)Nc1ccc(CC(=O)N(C)Cc2nccs2)cc1 c1csc(n1)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)N(C)C[*:1]
CC(=O)Nc1ccc(CC(=O)N(C)Cc2nccs2)cc1 CC(=O)N[*:1] CN(Cc1nccs1)C(=O)Cc1ccc(cc1)[*:1]
O=C(Nc1ccccc1)N[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)N[C@@H]1CCCC[C@@H]1NC(=O)N[*:1]
CC(C)Oc1cccc(CNc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] CC(C)Oc1cccc(c1)CNc1cccc(c1)[*:1]
CC(C)Oc1cccc(CNc2cccc(C(F)(F)F)c2)c1 CC(C)O[*:1] FC(F)(F)c1cccc(c1)NCc1cccc(c1)[*:1]
CC(C)Oc1cccc(CNc2cccc(C(F)(F)F)c2)c1 CC(C)[*:1] FC(F)(F)c1cccc(c1)NCc1cccc(c1)O[*:1]
O=C(NCCC[NH+]1CCc2ccccc2C1)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 Fc1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCc2ccccc2C1)c1cnn(c1C1CC[NH2+]CC1)[*:1]
O=c1ccc(OCc2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=c1ccc(nn1[*:1])OCc1ccccc1
O=c1ccc(OCc2ccccc2)nn1-c1ccccc1 c1ccc(cc1)C[*:1] O=c1ccc(nn1-c1ccccc1)O[*:1]
O=c1ccc(OCc2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=c1ccc(nn1-c1ccccc1)OC[*:1]
COC[C@H](C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 COC[C@H](C)[*:1] C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[*:1]
COC[C@H](C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 COC[*:1] C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](C)[*:1]
Brc1cc(CN[C@@H](c2ccccc2)c2ccccn2)cc2c1OCO2 c1ccc(cc1)[*:1] Brc1cc(cc2OCOc12)CN[C@@H](c1ccccn1)[*:1]
Brc1cc(CN[C@@H](c2ccccc2)c2ccccn2)cc2c1OCO2 c1ccc(nc1)[*:1] Brc1cc(cc2OCOc12)CN[C@@H](c1ccccc1)[*:1]
CSc1nc(C)c(CCC(=O)Nc2cc[nH]n2)c(C)n1 c1cc(n[nH]1)[*:1] CSc1nc(C)c(CCC(=O)N[*:1])c(C)n1
N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)CN(C[*:1])C(=O)C[C@H]1OC(=O)c2ccccc21
N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 N#Cc1ccc(cc1)[*:1] O=C1O[C@H](CC(=O)N(CC(F)(F)F)C[*:1])c2ccccc21
N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 FC(F)(F)C[*:1] N#Cc1ccc(cc1)CN(C(=O)C[C@H]1OC(=O)c2ccccc21)[*:1]
N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 N#Cc1ccc(cc1)C[*:1] O=C1O[C@H](CC(=O)N(CC(F)(F)F)[*:1])c2ccccc21
C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](C)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](C)[*:1]
C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H](C)C1CCCCC1 Fc1ccccc1[*:1] C[C@@H](CC(=O)[*:1])C(=O)N[C@@H](C)C1CCCCC1
CN1CCN(C(=O)c2cn(C)nc2-c2cccs2)CC1 c1csc(c1)[*:1] CN1CCN(CC1)C(=O)c1cn(C)nc1[*:1]
CC(C)[C@@H](Sc1ccc(O)cc1)C(=O)Nc1ccc(F)c(F)c1F Oc1ccc(cc1)[*:1] CC(C)[C@@H](S[*:1])C(=O)Nc1ccc(F)c(F)c1F
CC(C)[C@@H](Sc1ccc(O)cc1)C(=O)Nc1ccc(F)c(F)c1F Oc1ccc(cc1)S[*:1] CC(C)[C@@H](C(=O)Nc1ccc(F)c(F)c1F)[*:1]
CC(C)[C@@H](Sc1ccc(O)cc1)C(=O)Nc1ccc(F)c(F)c1F CC(C)[*:1] O=C(Nc1ccc(F)c(F)c1F)[C@H](Sc1ccc(O)cc1)[*:1]
COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1[*:1])N1CCCCS1(=O)=O
COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F O=S1(=O)CCCCN1[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F)[*:1]
C[C@H](NC(=O)N[C@@H](c1ccccc1)c1nccn1C)c1nccs1 C[C@H](c1nccs1)[*:1] Cn1ccnc1[C@@H](NC(=O)N[*:1])c1ccccc1
C[C@H](NC(=O)N[C@@H](c1ccccc1)c1nccn1C)c1nccs1 c1csc(n1)[*:1] C[C@H](NC(=O)N[C@@H](c1ccccc1)c1nccn1C)[*:1]
C[C@H](NC(=O)N[C@@H](c1ccccc1)c1nccn1C)c1nccs1 Cn1ccnc1[*:1] C[C@H](NC(=O)N[C@@H](c1ccccc1)[*:1])c1nccs1
C[C@H](NC(=O)N[C@@H](c1ccccc1)c1nccn1C)c1nccs1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@@H](c1nccn1C)[*:1])c1nccs1
Cc1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)c([N+](=O)[O-])n1 Fc1ccc(cc1)[*:1] Cc1ccc(Oc2ncnc3scc(c23)[*:1])c(n1)[N+](=O)[O-]
Cc1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)c([N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)c(n1)[*:1]
CCN(c1cccc(C)c1)c1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N Cc1cccc(c1)[*:1] CCN(c1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N)[*:1]
CCN(c1cccc(C)c1)c1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N Clc1ccc(c(Cl)c1)[*:1] CCN(c1cccc(C)c1)c1ncnc(NNC(=O)[*:1])c1N
COC(=O)[C@@H](NC(=O)c1ocnc1C)C(C)C CC(C)[*:1] COC(=O)[C@@H](NC(=O)c1ocnc1C)[*:1]
COC(=O)[C@@H](NC(=O)c1ocnc1C)C(C)C COC(=O)[*:1] Cc1ncoc1C(=O)N[C@@H](C(C)C)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 CC(C)(C)[*:1] O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN(C1)C(=O)O[*:1]
Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1ccccc1C(=O)Nc1cc(ccc1N1CC[NH+](CC1)CC(=O)N[*:1])C(=O)[O-]
Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 O=C([O-])[*:1] Cc1ccccc1C(=O)Nc1cc(ccc1N1CC[NH+](CC1)CC(=O)Nc1ccc(F)cc1)[*:1]
Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 Cc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(cc1NC(=O)[*:1])C(=O)[O-])Nc1ccc(F)cc1
Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccccc1C(=O)Nc1cc(ccc1N1CC[NH+](CC1)C[*:1])C(=O)[O-]
Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 Cc1ccccc1C(=O)N[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(cc1[*:1])C(=O)[O-])Nc1ccc(F)cc1
Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 O=C(C[*:1])Nc1ccc(F)cc1 Cc1ccccc1C(=O)Nc1cc(ccc1N1CC[NH+](CC1)[*:1])C(=O)[O-]
CCOc1cc(OCC)c([N+](=O)[O-])nc1Br CCO[*:1] CCOc1cc(c(Br)nc1[N+](=O)[O-])[*:1]
CCOc1cc(OCC)c([N+](=O)[O-])nc1Br O=[N+]([O-])[*:1] CCOc1cc(OCC)c(nc1Br)[*:1]
CCOc1cc(OCC)c([N+](=O)[O-])nc1Br CCO[*:1] CCOc1cc(c(nc1Br)[N+](=O)[O-])[*:1]
O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 c1cc2OCOc2cc1C[*:1] O=C(N[*:1])C1CCC(CC1)CNS(=O)(=O)c1ccc(Cl)cc1
O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)C1CCC(CC1)CNS(=O)(=O)[*:1]
O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])C1CCC(CC1)CNS(=O)(=O)c1ccc(Cl)cc1
C/C(=N\O)c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 CC(=NO)[*:1] O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ccc(cc1)[*:1]
CC[C@H]1C(=O)NCCN1S(=O)(=O)CCCCC#N N#CCCC[*:1] CC[C@H]1C(=O)NCCN1S(=O)(=O)C[*:1]
CC[C@H]1C(=O)NCCN1S(=O)(=O)CCCCC#N N#CCCCC[*:1] CC[C@H]1C(=O)NCCN1S(=O)(=O)[*:1]
CC[C@H]1C(=O)NCCN1S(=O)(=O)CCCCC#N N#CCC[*:1] CC[C@H]1C(=O)NCCN1S(=O)(=O)CC[*:1]
CC[C@H]1C(=O)NCCN1S(=O)(=O)CCCCC#N N#CC[*:1] CC[C@H]1C(=O)NCCN1S(=O)(=O)CCC[*:1]
C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1[C@H](C)c1ccccc1 O=C(N[*:1])c1ccco1 C[C@H](c1nc2ccccc2n1[C@H](C)c1ccccc1)[*:1]
C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1[C@H](C)c1ccccc1 c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2n1[C@H](C)c1ccccc1
C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1[C@H](C)[*:1]
C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1[*:1]
N#CC1(C#N)[C@H](C(=O)c2ccc(Br)cc2)C12CCCCC2 Brc1ccc(cc1)[*:1] N#CC1(C#N)[C@H](C(=O)[*:1])C12CCCCC2
CCOC(=O)c1s/c(=N/C(=O)CC2(Cn3cnnn3)CCCCC2)[nH]c1C c1nnnn1[*:1] CCOC(=O)c1s/c(=N/C(=O)CC2(CCCCC2)C[*:1])[nH]c1C
CCOC(=O)c1s/c(=N/C(=O)CC2(Cn3cnnn3)CCCCC2)[nH]c1C CCOC(=O)[*:1] Cc1[nH]/c(=N\C(=O)CC2(CCCCC2)Cn2cnnn2)sc1[*:1]
CCOC(=O)c1s/c(=N/C(=O)CC2(Cn3cnnn3)CCCCC2)[nH]c1C c1nnnn1C[*:1] CCOC(=O)c1s/c(=N/C(=O)CC2(CCCCC2)[*:1])[nH]c1C
CC[C@@H](C)N(CC)S(=O)(=O)c1c(Cl)cc(N)cc1Cl CC[C@@H](C)[*:1] CCN(S(=O)(=O)c1c(Cl)cc(N)cc1Cl)[*:1]
COc1ccc(Br)c(CN2CCn3c(nnc3-c3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1ccc(Br)c(c1)CN1CCn2c(C1)nnc2[*:1]
COc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cn1ccnc1)CCC2 c1cn(cn1)[*:1] COc1ccc2CCC[C@@H]([NH2+][C@H](C)C[*:1])c2c1
COc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cn1ccnc1)CCC2 c1cn(cn1)C[*:1] COc1ccc2CCC[C@@H]([NH2+][C@H](C)[*:1])c2c1
C[C@@H]1NC(C(=O)N=c2[nH]c3ccccc3[nH]2)=NN(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H]1NC(=NN(C1=O)[*:1])C(=O)N=c1[nH]c2ccccc2[nH]1
CCc1c(C(=O)NCC(=O)NCC(C)C)cnn1-c1ccccn1 CC(C)CNC(=O)[*:1] CCc1c(cnn1-c1ccccn1)C(=O)NC[*:1]
CCc1c(C(=O)NCC(=O)NCC(C)C)cnn1-c1ccccn1 CC(C)C[*:1] CCc1c(cnn1-c1ccccn1)C(=O)NCC(=O)N[*:1]
CCc1c(C(=O)NCC(=O)NCC(C)C)cnn1-c1ccccn1 CC(C)CNC(=O)C[*:1] CCc1c(cnn1-c1ccccn1)C(=O)N[*:1]
CCc1c(C(=O)NCC(=O)NCC(C)C)cnn1-c1ccccn1 CC(C)[*:1] CCc1c(cnn1-c1ccccn1)C(=O)NCC(=O)NC[*:1]
CCc1c(C(=O)NCC(=O)NCC(C)C)cnn1-c1ccccn1 c1ccc(nc1)[*:1] CCc1c(cnn1[*:1])C(=O)NCC(=O)NCC(C)C
C/C(=C1/SC(=O)N(c2ccccc2F)C1=O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CC(=C1SC(=O)N(C1=O)c1ccccc1F)[*:1]
C/C(=C1/SC(=O)N(c2ccccc2F)C1=O)c1ccc(O)cc1 Fc1ccccc1[*:1] C/C(=C1/SC(=O)N(C1=O)[*:1])c1ccc(O)cc1
O=C1CCSc2ccc(C(=O)Nc3cccc(N4CCCC4=O)c3)cc2N1 O=C1CCCN1[*:1] O=C1CCSc2ccc(cc2N1)C(=O)Nc1cccc(c1)[*:1]
COc1cccc([C@@H](CNC(=O)c2ccc(O)c(Cl)c2)[NH+](C)C)c1 Oc1ccc(cc1Cl)[*:1] COc1cccc(c1)[C@@H](CNC(=O)[*:1])[NH+](C)C
COc1cccc([C@@H](CNC(=O)c2ccc(O)c(Cl)c2)[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(O)c(Cl)c1)[*:1]
COc1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 COc1ccccc1[*:1] C[C@H]1CCc2c(C1)sc1ncn(CC(=O)N[*:1])c(=O)c21
CC(C)C1C[NH+](CCCOC2CC[NH2+]CC2)C1 CC(C)[*:1] C(COC1CC[NH2+]CC1)C[NH+]1CC(C1)[*:1]
C[NH+]1CCN(c2nc(-c3ccccc3)nnc2-c2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1nc(nnc1-c1ccc(Cl)cc1)[*:1]
C[NH+]1CCN(c2nc(-c3ccccc3)nnc2-c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1nc(nnc1[*:1])-c1ccccc1
CCc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2[N+](=O)[O-])cc1 CN(Cc1ccccc1)[*:1] CCc1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
CCc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2[N+](=O)[O-])cc1 CCc1ccc(cc1)N[*:1] CN(Cc1ccccc1)c1ncnc(c1[N+](=O)[O-])[*:1]
CCc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2[N+](=O)[O-])cc1 CCc1ccc(cc1)[*:1] CN(Cc1ccccc1)c1ncnc(N[*:1])c1[N+](=O)[O-]
CCc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)Nc1ncnc(c1[*:1])N(C)Cc1ccccc1
CCc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2[N+](=O)[O-])cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])N(C)C[*:1]
CCc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2[N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] CCc1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])N(C)[*:1]
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N1C[C@H]2CCCC[C@@H]2C1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCCN(C[*:1])C1=O)N1C[C@H]2CCCC[C@@H]2C1
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N1C[C@H]2CCCC[C@@H]2C1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CCCN(C1=O)[*:1])N1C[C@H]2CCCC[C@@H]2C1
O=C(NCC1(O)CCSCC1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(NCC1(O)CCSCC1)c1ccc(cc1)[*:1]
O=C(NCC1(O)CCSCC1)c1ccc(OC(F)(F)F)cc1 OC1(CCSCC1)[*:1] O=C(NC[*:1])c1ccc(cc1)OC(F)(F)F
O=C(NCC1(O)CCSCC1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCC1(O)CCSCC1)c1ccc(cc1)O[*:1]
CCC[NH2+][C@H](Cc1ccc(CC)s1)c1ccc(F)cn1 CCC[*:1] CCc1ccc(C[C@@H]([NH2+][*:1])c2ccc(F)cn2)s1
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CCOC C#CC[*:1] COCCN(C)C(=O)C(=O)Nc1ccc(F)cc1O[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CCOC COCC[*:1] C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CCOC C#CCO[*:1] COCCN(C)C(=O)C(=O)Nc1ccc(F)cc1[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CCOC COC[*:1] C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)C[*:1]
Cc1ccc(NC(=O)N2CCC(Oc3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])N1CCC(CC1)Oc1ccccc1
Cc1ccc(NC(=O)N2CCC(Oc3ccccc3)CC2)cc1 c1ccc(cc1)O[*:1] Cc1ccc(cc1)NC(=O)N1CCC(CC1)[*:1]
Cc1ccc(NC(=O)N2CCC(Oc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)N1CCC(CC1)O[*:1]
COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1F)C(=O)N2Cc1cccc(C#N)c1 N#Cc1cccc(c1)C[*:1] COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1F)C(=O)N2[*:1]
COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1F)C(=O)N2Cc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1F)C(=O)N2C[*:1]
COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1F)C(=O)N2Cc1cccc(C#N)c1 Fc1ccccc1[*:1] COc1ccc2c(c1)[C@@]1(SCCN1C(=O)[*:1])C(=O)N2Cc1cccc(C#N)c1
C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CCOCC2)C1=O C1CN(CCO1)C[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])c1ccc(Cl)s1
C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CCOCC2)C1=O C1CN(CCO1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(Cl)s1
C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CCOCC2)C1=O Clc1ccc(s1)[*:1] C[C@@]1(NC(=O)N(CN2CCOCC2)C1=O)[*:1]
CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cn[nH]c2C)cc1 CCN(CC)C(=O)[*:1] Cc1[nH]ncc1S(=O)(=O)[N-]c1ccc(cc1)[*:1]
CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cn[nH]c2C)cc1 Cc1[nH]ncc1[*:1] CCN(CC)C(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2cc(F)ccc2O)C1 CC(C)CCO[*:1] O=C(c1cc(F)ccc1O)N1CC[C@H](C1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2cc(F)ccc2O)C1 CC(C)C[*:1] O=C(c1cc(F)ccc1O)N1CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2cc(F)ccc2O)C1 CC(C)CC[*:1] O=C(c1cc(F)ccc1O)N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2cc(F)ccc2O)C1 CC(C)[*:1] O=C(c1cc(F)ccc1O)N1CC[C@H](C1)OCC[*:1]
Cc1ccc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2Cl)cc1 Cc1ccc(cc1)[*:1] NNc1nc2c(Cl)cc(NC(=O)[*:1])c(Cl)c2s1
COc1ccc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1O Clc1ccc(cc1)[*:1] COc1ccc(cc1O)CN[C@H]1CC(=O)N(C)[C@H]1[*:1]
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccco1 c1coc(c1)[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC[*:1]
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N[*:1]
C/C(=C/C(=O)NC[C@H](O)C1CCCC1)c1ccc(F)cc1F C1CCC(C1)[*:1] C/C(=C/C(=O)NC[C@H](O)[*:1])c1ccc(F)cc1F
C/C(=C/C(=O)NC[C@H](O)C1CCCC1)c1ccc(F)cc1F O[C@H](C1CCCC1)[*:1] C/C(=C/C(=O)NC[*:1])c1ccc(F)cc1F
CN(CCc1cccs1)c1cnc(C(=O)[O-])cn1 c1csc(c1)C[*:1] CN(C[*:1])c1cnc(cn1)C(=O)[O-]
CN(CCc1cccs1)c1cnc(C(=O)[O-])cn1 c1csc(c1)[*:1] CN(CC[*:1])c1cnc(cn1)C(=O)[O-]
CN(CCc1cccs1)c1cnc(C(=O)[O-])cn1 O=C([O-])[*:1] CN(CCc1cccs1)c1cnc(cn1)[*:1]
COc1cc(NC(=O)Cn2nc(C)cc2C)ccc1NC(=O)OC(C)(C)C Cc1cc(C)n(C[*:1])n1 COc1cc(ccc1NC(=O)OC(C)(C)C)NC(=O)[*:1]
COc1cc(NC(=O)Cn2nc(C)cc2C)ccc1NC(=O)OC(C)(C)C Cc1cc(C)n(n1)[*:1] COc1cc(ccc1NC(=O)OC(C)(C)C)NC(=O)C[*:1]
COc1cc(NC(=O)Cn2nc(C)cc2C)ccc1NC(=O)OC(C)(C)C CC(C)(C)[*:1] COc1cc(ccc1NC(=O)O[*:1])NC(=O)Cn1nc(C)cc1C
COc1cc(NC(=O)Cn2nc(C)cc2C)ccc1NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)Cn1nc(C)cc1C
COc1ccccc1Oc1ccc(NC(=O)c2oc(C)nc2C)cc1F COc1ccccc1[*:1] Cc1nc(C)c(o1)C(=O)Nc1ccc(O[*:1])c(F)c1
COc1ccccc1Oc1ccc(NC(=O)c2oc(C)nc2C)cc1F Cc1nc(C)c(o1)[*:1] COc1ccccc1Oc1ccc(cc1F)NC(=O)[*:1]
Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C([C@H]1CCCN(C1)c1ccc(nn1)[*:1])N1CCN(CC1)c1ccccc1Cl
Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)nn2)n1 Clc1ccccc1[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)[*:1]
CCC[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCO[C@]2(CCSC2)C1 CCC[*:1] C1C[C@H]([NH2+][*:1])[C@H](C1)[C@@H]1CCO[C@]2(CCSC2)C1
Cc1cc(N)ccc1SCC(=O)Nc1nccs1 c1csc(n1)[*:1] Cc1cc(N)ccc1SCC(=O)N[*:1]
CS(=O)(=O)c1ccc2nc(NC(=O)c3csnn3)sc2c1 CS(=O)(=O)[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1csnn1
CS(=O)(=O)c1ccc2nc(NC(=O)c3csnn3)sc2c1 c1snnc1[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)[*:1])sc2c1
COC(=O)[C@@]1(N)CCc2ccc(OC)cc21 COC(=O)[*:1] COc1ccc2CC[C@](N)(c2c1)[*:1]
Cn1cccc(NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1=O FC(F)(F)[*:1] Cn1cccc(NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2[*:1])c1=O
Cn1cccc(NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1=O Cn1cccc(c1=O)[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)N[*:1]
COC[C@H](C)CC(=O)N[C@@H](C(=O)[O-])C(C)C CC(C)[*:1] COC[C@H](C)CC(=O)N[C@@H](C(=O)[O-])[*:1]
COC[C@H](C)CC(=O)N[C@@H](C(=O)[O-])C(C)C O=C([O-])[*:1] COC[C@H](C)CC(=O)N[C@@H](C(C)C)[*:1]
COC[C@H](C)CC(=O)N[C@@H](C(=O)[O-])C(C)C COC[*:1] CC(C)[C@@H](NC(=O)C[C@@H](C)[*:1])C(=O)[O-]
COC[C@H](C)CC(=O)N[C@@H](C(=O)[O-])C(C)C COC[C@H](C)[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)[O-]
C[C@H](c1ccccc1Cl)N(C(=O)c1ccoc1)C1CC1 C1CC1[*:1] C[C@H](c1ccccc1Cl)N(C(=O)c1ccoc1)[*:1]
C[C@H](c1ccccc1Cl)N(C(=O)c1ccoc1)C1CC1 c1cc(co1)[*:1] C[C@H](c1ccccc1Cl)N(C(=O)[*:1])C1CC1
O=C1NCCCC[C@H]1Oc1ccc(OC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 O=C1NCCCC[C@H]1O[*:1] O=C(Oc1ccc(cc1)[*:1])[C@@H]1CCCC[C@@H]1C(F)(F)F
O=C1NCCCC[C@H]1Oc1ccc(OC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 FC(F)(F)[*:1] O=C1NCCCC[C@H]1Oc1ccc(cc1)OC(=O)[C@@H]1CCCC[C@H]1[*:1]
O=C1NCCCC[C@H]1Oc1ccc(OC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 O=C1NCCCC[C@@H]1[*:1] O=C(Oc1ccc(cc1)O[*:1])[C@@H]1CCCC[C@@H]1C(F)(F)F
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2Cl)cc1Cl Clc1ccccc1[*:1] Cc1ccc(cc1Cl)NC(=O)C(=O)N[C@H](C)[*:1]
CC[C@H]1CN(C(=O)NCCC(=O)OC)c2ccccc2O1 COC(=O)C[*:1] CC[C@H]1CN(C(=O)NC[*:1])c2ccccc2O1
CC[C@H]1CN(C(=O)NCCC(=O)OC)c2ccccc2O1 COC(=O)CC[*:1] CC[C@H]1CN(C(=O)N[*:1])c2ccccc2O1
CC[C@H]1CN(C(=O)NCCC(=O)OC)c2ccccc2O1 COC(=O)[*:1] CC[C@H]1CN(C(=O)NCC[*:1])c2ccccc2O1
CCN(C(=O)c1nc(C(C)(C)C)n[nH]1)[C@@H](C)CC(=O)[O-] CC(C)(C)[*:1] CCN(C(=O)c1nc(n[nH]1)[*:1])[C@@H](C)CC(=O)[O-]
CCN(C(=O)c1nc(C(C)(C)C)n[nH]1)[C@@H](C)CC(=O)[O-] O=C([O-])C[*:1] CCN(C(=O)c1nc(n[nH]1)C(C)(C)C)[C@@H](C)[*:1]
CCN(C(=O)c1nc(C(C)(C)C)n[nH]1)[C@@H](C)CC(=O)[O-] O=C([O-])[*:1] CCN(C(=O)c1nc(n[nH]1)C(C)(C)C)[C@@H](C)C[*:1]
CC[C@H](C)Oc1cccc(C(=O)N2CCC(C(=O)NN)CC2)c1 CC[C@H](C)O[*:1] NNC(=O)C1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CC[C@H](C)Oc1cccc(C(=O)N2CCC(C(=O)NN)CC2)c1 NNC(=O)[*:1] CC[C@H](C)Oc1cccc(c1)C(=O)N1CCC(CC1)[*:1]
CC[C@H](C)Oc1cccc(C(=O)N2CCC(C(=O)NN)CC2)c1 CC[C@H](C)[*:1] NNC(=O)C1CCN(CC1)C(=O)c1cccc(c1)O[*:1]
Cc1noc(CCC(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)n1 Cc1noc(CC[*:1])n1 C[C@H]1CN(Cc2cccc(c2)NC(=O)[*:1])C[C@@H](C)O1
Cc1noc(CCC(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)n1 Cc1noc(C[*:1])n1 C[C@H]1CN(Cc2cccc(c2)NC(=O)C[*:1])C[C@@H](C)O1
Cc1noc(CCC(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)n1 Cc1noc(n1)[*:1] C[C@H]1CN(Cc2cccc(c2)NC(=O)CC[*:1])C[C@@H](C)O1
CC(C)c1cc(C(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)n[nH]1 C1CC1[*:1] CC(C)c1cc(n[nH]1)C(=O)N1CCN(CC1)Cc1noc(n1)[*:1]
CC(C)c1cc(C(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)n[nH]1 C1CC1c1nc(no1)[*:1] CC(C)c1cc(n[nH]1)C(=O)N1CCN(CC1)C[*:1]
CC(C)c1cc(C(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)n[nH]1 CC(C)[*:1] O=C(c1cc([nH]n1)[*:1])N1CCN(CC1)Cc1noc(n1)C1CC1
CC(C)c1cc(C(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)n[nH]1 CC(C)c1cc(n[nH]1)[*:1] O=C(N1CCN(CC1)Cc1noc(n1)C1CC1)[*:1]
O=C1[C@H]2[C@@H](C(=O)N3CCC3)[C@H]3C=C[C@]2(CN1CC[NH+]1CCCCC1)O3 O=C(N1CCC1)[*:1] O=C1[C@H]2[C@@H]([C@H]3C=C[C@]2(CN1CC[NH+]1CCCCC1)O3)[*:1]
COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)N(S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)[*:1]
COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N(C[*:1])S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N(Cc1ccccc1)[*:1]
CC[C@@H]1CO[C@@H](C)CN1C(=O)c1csc(C#CCO)c1 OCC#C[*:1] CC[C@@H]1CO[C@@H](C)CN1C(=O)c1csc(c1)[*:1]
CC(=O)N[C@H](CC(=O)Nc1ccccc1C)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)Nc1ccccc1C)[*:1]
CC(=O)N[C@H](CC(=O)Nc1ccccc1C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Nc1ccccc1C)[*:1]
CC(=O)N[C@H](CC(=O)Nc1ccccc1C)c1ccc(C)cc1 Cc1ccccc1[*:1] CC(=O)N[C@H](CC(=O)N[*:1])c1ccc(C)cc1
CNc1ncc(C(=O)NCCC(=O)NC2CC2)cc1Cl C1CC1[*:1] CNc1ncc(cc1Cl)C(=O)NCCC(=O)N[*:1]
CNc1ncc(C(=O)NCCC(=O)NC2CC2)cc1Cl O=C(NC1CC1)[*:1] CNc1ncc(cc1Cl)C(=O)NCC[*:1]
COC(=O)c1ccc(F)c(F)c1 COC(=O)[*:1] Fc1ccc(cc1F)[*:1]
CO[C@@H](c1ccccc1)c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 c1ccc(cc1)[*:1] CO[C@@H](c1nc(no1)-c1c(C)ncc2C[NH2+]CCc21)[*:1]
O=C(Cn1cc(NC(=O)Nc2cccc3c2CCCC3)cn1)NCCO O=C(C[*:1])NCCO O=C(Nc1cnn(c1)[*:1])Nc1cccc2CCCCc21
O=C(Cn1cc(NC(=O)Nc2cccc3c2CCCC3)cn1)NCCO O=C(NCCO)[*:1] O=C(Nc1cnn(c1)C[*:1])Nc1cccc2CCCCc21
O=C(Cn1cc(NC(=O)Nc2cccc3c2CCCC3)cn1)NCCO OCC[*:1] O=C(Cn1cc(cn1)NC(=O)Nc1cccc2CCCCc21)N[*:1]
CC(C)(C)[C@H](NCc1cccc(Cl)c1)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NCc1cccc(Cl)c1)[*:1]
CC(C)(C)[C@H](NCc1cccc(Cl)c1)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NCc1cccc(Cl)c1)[*:1]
CC1CCC(C(=O)OCc2nc(Cc3ccc(F)cc3)no2)CC1 Fc1ccc(cc1)[*:1] CC1CCC(CC1)C(=O)OCc1nc(C[*:1])no1
CC1CCC(C(=O)OCc2nc(Cc3ccc(F)cc3)no2)CC1 Fc1ccc(cc1)C[*:1] CC1CCC(CC1)C(=O)OCc1nc(no1)[*:1]
CC1CCC(C(=O)OCc2nc(Cc3ccc(F)cc3)no2)CC1 CC1CCC(CC1)[*:1] O=C(OCc1nc(Cc2ccc(F)cc2)no1)[*:1]
CCC[C@@](C)(O)C(=O)Nc1nn(-c2ccccc2Cl)cc1C CCC[*:1] Cc1cn(nc1NC(=O)[C@@](C)(O)[*:1])-c1ccccc1Cl
CCC[C@@](C)(O)C(=O)Nc1nn(-c2ccccc2Cl)cc1C Clc1ccccc1[*:1] CCC[C@@](C)(O)C(=O)Nc1nn(cc1C)[*:1]
Cc1cccc(CC(=O)NCc2ccc(-c3nc(N(C)C)ncc3-c3ccccn3)cc2)c1 Cc1cccc(c1)CC(=O)N[*:1] CN(C)c1ncc(-c2ccccn2)c(n1)-c1ccc(cc1)C[*:1]
Cc1cccc(CC(=O)NCc2ccc(-c3nc(N(C)C)ncc3-c3ccccn3)cc2)c1 CN(C)[*:1] Cc1cccc(c1)CC(=O)NCc1ccc(cc1)-c1nc(ncc1-c1ccccn1)[*:1]
Cc1cccc(CC(=O)NCc2ccc(-c3nc(N(C)C)ncc3-c3ccccn3)cc2)c1 Cc1cccc(c1)C[*:1] CN(C)c1ncc(-c2ccccn2)c(n1)-c1ccc(cc1)CNC(=O)[*:1]
Cc1cccc(CC(=O)NCc2ccc(-c3nc(N(C)C)ncc3-c3ccccn3)cc2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)CC(=O)NCc1ccc(cc1)-c1nc(ncc1[*:1])N(C)C
Cc1cccc(CC(=O)NCc2ccc(-c3nc(N(C)C)ncc3-c3ccccn3)cc2)c1 Cc1cccc(c1)[*:1] CN(C)c1ncc(-c2ccccn2)c(n1)-c1ccc(cc1)CNC(=O)C[*:1]
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2N)c(C)c1 Brc1ccccc1[*:1] COc1ccc(NC(=O)CSc2nnc(n2N)[*:1])c(C)c1
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2N)c(C)c1 COc1ccc(c(C)c1)[*:1] Nn1c(nnc1-c1ccccc1Br)SCC(=O)N[*:1]
Cc1ncccc1NC(=O)C(=O)NCCSc1ccccc1F Fc1ccccc1[*:1] Cc1ncccc1NC(=O)C(=O)NCCS[*:1]
Cc1ncccc1NC(=O)C(=O)NCCSc1ccccc1F Cc1ncccc1[*:1] O=C(NCCSc1ccccc1F)C(=O)N[*:1]
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 CC(C)(C)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)NC[C@H]1CCCN(C1)c1ncccn1
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] C[C@@H](Oc1ccc(cc1)C(C)(C)C)C(=O)NC[C@H]1CCCN(C1)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1 Cc1noc(C)c1[*:1] C[C@H]1C[C@@H]1NC(=O)c1ccc(cc1)OC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1 C[C@H]1C[C@@H]1NC(=O)[*:1] Cc1noc(C)c1COc1ccc(cc1)[*:1]
C[C@H](NC(=O)CSc1cccc2cccc(Cl)c12)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)CSc1cccc2cccc(Cl)c12)[*:1]
C[C@H](NC(=O)CSc1cccc2cccc(Cl)c12)c1ccncc1 C[C@H](c1ccncc1)[*:1] O=C(CSc1cccc2cccc(Cl)c12)N[*:1]
NC(=O)c1cccc(OCC(=O)NC[C@H](O)c2ccco2)c1 c1coc(c1)[*:1] NC(=O)c1cccc(c1)OCC(=O)NC[C@H](O)[*:1]
NC(=O)c1cccc(OCC(=O)NC[C@H](O)c2ccco2)c1 NC(=O)[*:1] O=C(COc1cccc(c1)[*:1])NC[C@H](O)c1ccco1
CN(C)C(=O)C[NH+]1CCCN(C(=O)NCc2ccsc2)CC1 c1cc(cs1)C[*:1] CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)N[*:1]
CN(C)C(=O)C[NH+]1CCCN(C(=O)NCc2ccsc2)CC1 CN(C)C(=O)[*:1] O=C(NCc1ccsc1)N1CCC[NH+](CC1)C[*:1]
CN(C)C(=O)C[NH+]1CCCN(C(=O)NCc2ccsc2)CC1 c1cc(cs1)[*:1] CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)NC[*:1]
CN(C)C(=O)C[NH+]1CCCN(C(=O)NCc2ccsc2)CC1 CN(C)C(=O)C[*:1] O=C(NCc1ccsc1)N1CCC[NH+](CC1)[*:1]
CN(C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)[C@@H]1CCCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[C@@H]1CCCN(C1=O)[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(OCC)cc2)cc1 CCOc1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(OCC)cc2)cc1 CCO[*:1] CCOc1ccc(cc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(OCC)cc2)cc1 CCO[*:1] CCOc1ccc(cc1)[C@@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(OCC)cc2)cc1 CCOc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
CCCc1nc(C(=O)Nc2c(Cl)ccc3scnc23)n[nH]1 CCC[*:1] O=C(Nc1c(Cl)ccc2scnc12)c1n[nH]c(n1)[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 Cc1cccc(c1)O[*:1] C[C@@H](CNC(=O)N1CCC(CC1)C(=O)N1CCCC1)[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)O[C@@H](C)CNC(=O)N1CCC(CC1)[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)N1CCC(CC1)C(=O)N1CCCC1)O[*:1]
COCCOc1ccc(Nc2snc(Cl)c2C#N)cc1F COCCO[*:1] N#Cc1c(Cl)nsc1Nc1ccc(c(F)c1)[*:1]
COCCOc1ccc(Nc2snc(Cl)c2C#N)cc1F COCC[*:1] N#Cc1c(Cl)nsc1Nc1ccc(O[*:1])c(F)c1
COCCOc1ccc(Nc2snc(Cl)c2C#N)cc1F COC[*:1] N#Cc1c(Cl)nsc1Nc1ccc(OC[*:1])c(F)c1
COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(Cl)cc2)ccc1O Clc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1C[*:1]
COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(Cl)cc2)ccc1O Clc1ccc(cc1)C[*:1] COc1cc(ccc1O)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(Cl)cc2)ccc1O COc1cc(ccc1O)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1Cc1ccc(Cl)cc1)[*:1]
O=C(CSc1ccc(F)cc1F)NC1COC1 C1OCC1[*:1] O=C(CSc1ccc(F)cc1F)N[*:1]
CCC[C@H]1SCCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 CS(=O)(=O)NC[*:1] CCC[C@H]1SCCN1C(=O)c1ccc(o1)[*:1]
CCC[C@H]1SCCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 CS(=O)(=O)N[*:1] CCC[C@H]1SCCN1C(=O)c1ccc(C[*:1])o1
CCC[C@H]1SCCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 CCC[*:1] CS(=O)(=O)NCc1ccc(o1)C(=O)N1CCS[C@@H]1[*:1]
COc1cccc(NC(=O)N2CCC(c3nc4cc(OC)ccc4[nH]3)CC2)c1 COc1cccc(c1)[*:1] COc1ccc2[nH]c(nc2c1)C1CCN(CC1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 CC[C@@H](C)[*:1] O=C(Cc1ccc(Cl)cc1)N[*:1]
COc1cccc(-c2n[nH]c3c2CN(C(=O)[C@@]2(C)CC(C)=NO2)CC3)c1 COc1cccc(c1)[*:1] CC1C[C@@](C)(ON=1)C(=O)N1CCc2[nH]nc(c2C1)[*:1]
CC(C)CCC(=O)NNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 CC(C)CC[*:1] O=C(NNC(=O)[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
CC(C)CCC(=O)NNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 CC(C)[*:1] O=C(CC[*:1])NNC(=O)N1CCO[C@@H](C1)c1ccc(F)cc1
CC(C)CCC(=O)NNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 CC(C)C[*:1] O=C(C[*:1])NNC(=O)N1CCO[C@@H](C1)c1ccc(F)cc1
CC(C)CCC(=O)NNC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC(C)CCC(=O)NNC(=O)N1CCO[C@H](C1)[*:1]
Cc1cccc(-n2nnnc2SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1C c1csc(c1)[*:1] Cc1cccc(c1C)-n1nnnc1SCC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1cccc(-n2nnnc2SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1C Cc1cccc(c1C)[*:1] O=C(CSc1nnnn1[*:1])N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1
Cc1cccc(-n2nnnc2SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1C c1csc(c1)C[*:1] Cc1cccc(c1C)-n1nnnc1SCC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(Nc1cccc(NC(=O)c2cccs2)c1)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] O=C(Nc1cccc(c1)NC(=O)c1cccs1)N[*:1]
O=C(Nc1cccc(NC(=O)c2cccs2)c1)NC(C1CC1)C1CC1 O=C(N[*:1])c1cccs1 O=C(Nc1cccc(c1)[*:1])NC(C1CC1)C1CC1
O=C(Nc1cccc(NC(=O)c2cccs2)c1)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)NC(=O)c1cccs1)NC(C1CC1)[*:1]
O=C(Nc1cccc(NC(=O)c2cccs2)c1)NC(C1CC1)C1CC1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])NC(C1CC1)C1CC1
CC(C)(C)c1cc(C(=O)NNS(=O)(=O)c2cccnc2)[nH]n1 CC(C)(C)[*:1] O=C(NNS(=O)(=O)c1cccnc1)c1cc(n[nH]1)[*:1]
CC(C)(C)c1cc(C(=O)NNS(=O)(=O)c2cccnc2)[nH]n1 c1cncc(c1)[*:1] CC(C)(C)c1cc([nH]n1)C(=O)NNS(=O)(=O)[*:1]
O=C(c1ccco1)N1CCN(C(=O)[C@@H]2N=NC3=C2CCCC3)CC1 c1coc(c1)[*:1] O=C([C@@H]1N=NC2CCCCC=21)N1CCN(CC1)C(=O)[*:1]
C[NH+](C)[C@H]1CC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NS(=O)(=O)CCc1ccccc1[*:1]
O=C(NCCc1nc2ccccc2s1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCc1nc2ccccc2s1)C(=O)NC[*:1]
O=C(NCCc1nc2ccccc2s1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(NCCc1nc2ccccc2s1)C(=O)N[*:1]
CCOc1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] CCOc1ccc(cc1)C(=O)NNC(=O)[*:1]
CCOc1ccc(C(=O)NNC(=O)c2cc[nH]n2)cc1 CCO[*:1] O=C(NNC(=O)c1cc[nH]n1)c1ccc(cc1)[*:1]
Cc1nc([C@@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)cs1 CC(C)(O)C[*:1] Cc1nc(cs1)[C@@H](C)NC(=O)c1cccc(c1)C[*:1]
Cc1nc([C@@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)cs1 CC(C)(O)[*:1] Cc1nc(cs1)[C@@H](C)NC(=O)c1cccc(c1)CC[*:1]
Cc1nc([C@@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)cs1 Cc1nc(cs1)[*:1] C[C@@H](NC(=O)c1cccc(c1)CCC(C)(C)O)[*:1]
Cc1nc([C@@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)cs1 CC(C)(O)CC[*:1] Cc1nc(cs1)[C@@H](C)NC(=O)c1cccc(c1)[*:1]
Cc1noc(CNC(=O)C2CCN(C(=O)CCC(=O)c3ccccc3)CC2)n1 O=C(c1ccccc1)[*:1] Cc1noc(CNC(=O)C2CCN(CC2)C(=O)CC[*:1])n1
Cc1noc(CNC(=O)C2CCN(C(=O)CCC(=O)c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1noc(CNC(=O)C2CCN(CC2)C(=O)CCC(=O)[*:1])n1
Cc1noc(CNC(=O)C2CCN(C(=O)CCC(=O)c3ccccc3)CC2)n1 O=C(C[*:1])c1ccccc1 Cc1noc(CNC(=O)C2CCN(CC2)C(=O)C[*:1])n1
Cc1noc(CNC(=O)C2CCN(C(=O)CCC(=O)c3ccccc3)CC2)n1 Cc1noc(n1)[*:1] O=C(CCC(=O)N1CCC(CC1)C(=O)NC[*:1])c1ccccc1
Cc1noc(CNC(=O)C2CCN(C(=O)CCC(=O)c3ccccc3)CC2)n1 Cc1noc(C[*:1])n1 O=C(CCC(=O)N1CCC(CC1)C(=O)N[*:1])c1ccccc1
COc1cccc([C@@H]2c3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)NC(=O)[C@@H]2C#N)c1OC C[C@H]1CCCCN1[*:1] COc1cccc(c1OC)[C@@H]1c2c(nc([nH]c2=O)[*:1])NC(=O)[C@@H]1C#N
COc1cccc([C@@H]2c3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)NC(=O)[C@@H]2C#N)c1OC COc1cccc(c1OC)[*:1] C[C@H]1CCCCN1c1nc2NC(=O)[C@H](C#N)[C@@H](c2c(=O)[nH]1)[*:1]
C[C@H]1CCC[C@@]([C@H](O)CCCS(C)(=O)=O)([NH+](C)C)C1 CS(=O)(=O)[*:1] C[C@H]1CCC[C@@](C1)([C@H](O)CCC[*:1])[NH+](C)C
C[C@H]1CCC[C@@]([C@H](O)CCCS(C)(=O)=O)([NH+](C)C)C1 CS(=O)(=O)CC[*:1] C[C@H]1CCC[C@@](C1)([C@H](O)C[*:1])[NH+](C)C
C[C@H]1CCC[C@@]([C@H](O)CCCS(C)(=O)=O)([NH+](C)C)C1 CS(=O)(=O)C[*:1] C[C@H]1CCC[C@@](C1)([C@H](O)CC[*:1])[NH+](C)C
CCOc1cc(/C=C/C(=O)N[C@H](C)C(N)=O)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(/C=C/C(=O)N[C@H](C)C(N)=O)cc1[*:1]
CCOc1cc(/C=C/C(=O)N[C@H](C)C(N)=O)cc(Cl)c1OC C[C@H](C(N)=O)[*:1] CCOc1cc(/C=C/C(=O)N[*:1])cc(Cl)c1OC
CCOc1cc(/C=C/C(=O)N[C@H](C)C(N)=O)cc(Cl)c1OC NC(=O)[*:1] CCOc1cc(/C=C/C(=O)N[C@H](C)[*:1])cc(Cl)c1OC
CCN(C[C@@H](C)C#N)C(=O)c1cnc2sc(C)cn2c1=O C[C@@H](C#N)[*:1] CCN(C[*:1])C(=O)c1cnc2sc(C)cn2c1=O
CCN(C[C@@H](C)C#N)C(=O)c1cnc2sc(C)cn2c1=O C[C@@H](C#N)C[*:1] CCN(C(=O)c1cnc2sc(C)cn2c1=O)[*:1]
Cc1ccn(CCC(=O)N2CCC(c3noc4nc(C(C)C)cc(C(F)(F)F)c34)CC2)n1 Cc1ccn(CC[*:1])n1 CC(C)c1cc(c2c(noc2n1)C1CCN(CC1)C(=O)[*:1])C(F)(F)F
Cc1ccn(CCC(=O)N2CCC(c3noc4nc(C(C)C)cc(C(F)(F)F)c34)CC2)n1 Cc1ccn(C[*:1])n1 CC(C)c1cc(c2c(noc2n1)C1CCN(CC1)C(=O)C[*:1])C(F)(F)F
Cc1ccn(CCC(=O)N2CCC(c3noc4nc(C(C)C)cc(C(F)(F)F)c34)CC2)n1 CC(C)[*:1] Cc1ccn(CCC(=O)N2CCC(CC2)c2noc3nc(cc(c23)C(F)(F)F)[*:1])n1
Cc1ccn(CCC(=O)N2CCC(c3noc4nc(C(C)C)cc(C(F)(F)F)c34)CC2)n1 FC(F)(F)[*:1] Cc1ccn(CCC(=O)N2CCC(CC2)c2noc3nc(cc(c23)[*:1])C(C)C)n1
Cc1ccn(CCC(=O)N2CCC(c3noc4nc(C(C)C)cc(C(F)(F)F)c34)CC2)n1 Cc1ccn(n1)[*:1] CC(C)c1cc(c2c(noc2n1)C1CCN(CC1)C(=O)CC[*:1])C(F)(F)F
CC[NH2+][C@H](C)c1cc(C)ccc1OCc1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] CC[NH2+][C@H](C)c1cc(C)ccc1OC[*:1]
CCN(Cc1ccccc1)c1nc([O-])c(C#N)c(-c2ccc(OC)cc2)n1 COc1ccc(cc1)[*:1] CCN(Cc1ccccc1)c1nc([O-])c(C#N)c(n1)[*:1]
CCN(Cc1ccccc1)c1nc([O-])c(C#N)c(-c2ccc(OC)cc2)n1 c1ccc(cc1)[*:1] CCN(C[*:1])c1nc([O-])c(C#N)c(n1)-c1ccc(cc1)OC
CCN(Cc1ccccc1)c1nc([O-])c(C#N)c(-c2ccc(OC)cc2)n1 c1ccc(cc1)C[*:1] CCN(c1nc([O-])c(C#N)c(n1)-c1ccc(cc1)OC)[*:1]
CSC[C@H](C)C(=O)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] CSC[C@H](C)C(=O)N[C@@H](CO)[*:1]
CSC[C@H](C)C(=O)N[C@@H](CO)c1ccco1 CSC[C@H](C)[*:1] O=C(N[C@@H](CO)c1ccco1)[*:1]
CSC[C@H](C)C(=O)N[C@@H](CO)c1ccco1 CSC[*:1] C[C@H](C(=O)N[C@@H](CO)c1ccco1)[*:1]
CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(OC)c1OCC CCO[*:1] CCCSc1nc(=O)c2c(NC(=O)C[C@H]2c2cccc(OC)c2[*:1])n1C
CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(OC)c1OCC CCCS[*:1] CCOc1c(cccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(n2C)[*:1])OC
CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(OC)c1OCC CCC[*:1] CCOc1c(cccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(S[*:1])n2C)OC
Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)N(C)CCC3)CC1=O Cc1ccccc1[*:1] CN1CCCc2ccc(cc21)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 CC(C)N(C)[*:1] Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 CC(C)[*:1] Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(c(F)c1)N(C)[*:1]
Cc1cc(/C=C/C(=O)NNC(=O)[C@@H]2CCCO2)c(C)n1C1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(/C=C/C(=O)NNC(=O)[C@@H]2CCCO2)c(C)n1[*:1]
C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O Clc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(Cc2cc(Cl)c3OCCCOc3c2)C1=O)[*:1]
COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@H]2c2ccc(C)cc2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)[C@@H]1C[C@H](c2ccccc2)n2ncnc2N1C(=O)[*:1]
COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@H]2c2ccc(C)cc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N1c2ncnn2[C@@H](C[C@H]1c1ccc(C)cc1)[*:1]
COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@H]2c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N1c2ncnn2[C@H](C[C@@H]1[*:1])c1ccccc1
Cc1cc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)ccc1C(N)=O NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CC[C@@H](C)C[C@@H]1C
CC(C)c1nc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)n(C)n1 CC(C)[*:1] Cn1cc(C(=O)Nc2nc(nn2C)[*:1])c(n1)-c1ccc(F)cc1F
CC(C)c1nc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)n(C)n1 Fc1ccc(c(F)c1)[*:1] CC(C)c1nc(NC(=O)c2cn(C)nc2[*:1])n(C)n1
Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H]3Cc4ccccc43)cc2)o1 Cc1nnc(o1)[*:1] O=C(NC[C@@H]1Cc2ccccc21)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)o1 Cc1cccc(c1C)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)NNC(=O)[C@@H](C)O[*:1]
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)o1 Cc1ccc(o1)[*:1] Cc1cccc(O[C@H](C)C(=O)NNC(=O)N[C@@H](C)[*:1])c1C
Cc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)o1 Cc1ccc(o1)[C@H](C)[*:1] Cc1cccc(O[C@H](C)C(=O)NNC(=O)N[*:1])c1C
O=C(NCc1ccc([N+]2=CCCC2)cc1)C(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)C(=O)N[*:1]
CCCN(C)c1ccc(C(=O)N2CCOC(C)(C)C2)cc1 CCCN(C)[*:1] CC1(C)CN(CCO1)C(=O)c1ccc(cc1)[*:1]
CCCN(C)c1ccc(C(=O)N2CCOC(C)(C)C2)cc1 CCC[*:1] CN(c1ccc(cc1)C(=O)N1CCOC(C)(C)C1)[*:1]
Cc1ccc(NC(=O)NC[C@H](C)C[C@@H](C)O)c(F)c1 C[C@@H](O)[*:1] Cc1ccc(NC(=O)NC[C@H](C)C[*:1])c(F)c1
Cc1ccc(NC(=O)NC[C@H](C)C[C@@H](C)O)c(F)c1 C[C@@H](O)C[*:1] Cc1ccc(NC(=O)NC[C@H](C)[*:1])c(F)c1
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCC1CC[NH+](C)CC1 CN(C)C(=O)[*:1] CCOc1ccc(cc1NC(=O)NCC1CC[NH+](C)CC1)[*:1]
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCC1CC[NH+](C)CC1 CCO[*:1] CN(C)C(=O)c1ccc(c(c1)NC(=O)NCC1CC[NH+](C)CC1)[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(C#N)c1 C[C@@H](C#N)[*:1] N#Cc1cccc(c1)NC(=O)C(=O)NC[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(C#N)c1 C[C@@H](C#N)C[*:1] N#Cc1cccc(c1)NC(=O)C(=O)N[*:1]
Brc1ccc(-c2csc3ncnc(N4CCCCC4)c23)cc1 C1CCN(CC1)[*:1] Brc1ccc(cc1)-c1csc2ncnc(c12)[*:1]
Brc1ccc(-c2csc3ncnc(N4CCCCC4)c23)cc1 Brc1ccc(cc1)[*:1] c1nc(c2c(csc2n1)[*:1])N1CCCCC1
CC(C)[NH2+][C@@H](c1ccccc1)C1CC1 CC(C)[*:1] c1ccc(cc1)[C@H]([NH2+][*:1])C1CC1
CC(C)[NH2+][C@@H](c1ccccc1)C1CC1 C1CC1[*:1] CC(C)[NH2+][C@@H](c1ccccc1)[*:1]
CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(C)nc32)cc1 CCOc1ccc(cc1)[*:1] Cc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2[*:1]
CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(C)nc32)cc1 CCO[*:1] Cc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(cc1)[*:1]
CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(C)nc32)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)-n1c2nc3ccccc3nc2c2c(=O)n(c(C)nc21)[*:1]
CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(C)nc32)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1c2nc3ccccc3nc2c2c(=O)n(C[*:1])c(C)nc21
COc1ccc(OC)c(S(=O)(=O)NN)c1 NNS(=O)(=O)[*:1] COc1ccc(OC)c(c1)[*:1]
COc1ccccc1COc1cccc(NC(=O)c2ccnn2C)c1C COc1ccccc1[*:1] Cc1c(cccc1OC[*:1])NC(=O)c1ccnn1C
COc1ccccc1COc1cccc(NC(=O)c2ccnn2C)c1C Cn1nccc1[*:1] COc1ccccc1COc1cccc(NC(=O)[*:1])c1C
Cc1nnc(N(C)CCCOc2ccc(Cl)cc2)s1 Cc1nnc(s1)[*:1] CN(CCCOc1ccc(Cl)cc1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C#N)C1 CC(C)(C)[*:1] N#C[C@H]1CCCN(C1)C(=O)O[*:1]
CCC(=O)N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 CCC(=O)N[C@@H](C)[*:1] Cc1cccc(c1)COc1ccc(cc1)[*:1]
CCC(=O)N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CCC(=O)N[C@@H](C)c1ccc(cc1)OC[*:1]
CCC(=O)N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 CCC(=O)N[*:1] Cc1cccc(c1)COc1ccc(cc1)[C@H](C)[*:1]
CCCn1nccc1NC(=O)[C@H]1SCCc2sccc21 CCC[*:1] O=C(Nc1ccnn1[*:1])[C@H]1SCCc2sccc21
C[C@@H]1CC[C@@](C#N)([C@](C)(O)C2(C)CC2)C1 CC1(CC1)[*:1] C[C@@H]1CC[C@](C#N)(C1)[C@](C)(O)[*:1]
C#CCn1/c(=N\C(=O)COc2cccc(C)c2)sc2cc(S(C)(=O)=O)ccc21 Cc1cccc(c1)OC[*:1] C#CCn1/c(=N\C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
C#CCn1/c(=N\C(=O)COc2cccc(C)c2)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] C#CCn1/c(=N\C(=O)COc2cccc(C)c2)sc2cc(ccc21)[*:1]
C#CCn1/c(=N\C(=O)COc2cccc(C)c2)sc2cc(S(C)(=O)=O)ccc21 C#CC[*:1] Cc1cccc(c1)OCC(=O)/N=c1/sc2cc(ccc2n1[*:1])S(C)(=O)=O
C#CCn1/c(=N\C(=O)COc2cccc(C)c2)sc2cc(S(C)(=O)=O)ccc21 Cc1cccc(c1)O[*:1] C#CCn1/c(=N\C(=O)C[*:1])sc2cc(ccc21)S(C)(=O)=O
C#CCn1/c(=N\C(=O)COc2cccc(C)c2)sc2cc(S(C)(=O)=O)ccc21 Cc1cccc(c1)[*:1] C#CCn1/c(=N\C(=O)CO[*:1])sc2cc(ccc21)S(C)(=O)=O
CCc1nc(-c2ccccn2)cc(N2CC[NH2+]CC2)n1 c1ccc(nc1)[*:1] CCc1nc(cc(n1)[*:1])N1CC[NH2+]CC1
CC(=O)N1CCN(C(=O)CCc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)CC1 O=c1ccc(c[nH]1)[*:1] CC(=O)N1CCN(CC1)C(=O)CCc1csc(n1)NC(=O)[*:1]
Cc1cc(NC[C@H](O)c2cccc(OC(C)C)c2)ncc1[N+](=O)[O-] CC(C)[*:1] Cc1cc(ncc1[N+](=O)[O-])NC[C@H](O)c1cccc(c1)O[*:1]
Cc1cc(NC[C@H](O)c2cccc(OC(C)C)c2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])NC[C@H](O)c1cccc(c1)OC(C)C
Cc1cc(NC[C@H](O)c2cccc(OC(C)C)c2)ncc1[N+](=O)[O-] CC(C)O[*:1] Cc1cc(ncc1[N+](=O)[O-])NC[C@H](O)c1cccc(c1)[*:1]
Cc1c(Cl)cnc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccco2)c1Cl Cc1c(Cl)cnc(c1Cl)[*:1] O=C(CSc1nnc(C2CC2)n1Cc1ccco1)N[*:1]
Cc1c(Cl)cnc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccco2)c1Cl c1coc(c1)[*:1] Cc1c(Cl)cnc(NC(=O)CSc2nnc(C3CC3)n2C[*:1])c1Cl
Cc1c(Cl)cnc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccco2)c1Cl C1CC1[*:1] Cc1c(Cl)cnc(NC(=O)CSc2nnc(n2Cc2ccco2)[*:1])c1Cl
Cc1c(Cl)cnc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccco2)c1Cl c1coc(c1)C[*:1] Cc1c(Cl)cnc(NC(=O)CSc2nnc(C3CC3)n2[*:1])c1Cl
O=C(N[C@H](Cc1ccccc1)C1CC1)c1scnc1C1CC1 C1CC1[*:1] O=C(N[C@H](Cc1ccccc1)C1CC1)c1scnc1[*:1]
O=C(N[C@H](Cc1ccccc1)C1CC1)c1scnc1C1CC1 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C1CC1)c1scnc1C1CC1
O=C(N[C@H](Cc1ccccc1)C1CC1)c1scnc1C1CC1 c1ccc(cc1)C[*:1] O=C(N[C@H](C1CC1)[*:1])c1scnc1C1CC1
O=C(N[C@H](Cc1ccccc1)C1CC1)c1scnc1C1CC1 C1CC1[*:1] O=C(N[C@H](Cc1ccccc1)[*:1])c1scnc1C1CC1
C[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 Clc1ccc(cc1Cl)[*:1] C[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1nc(c[nH]1)[*:1]
CCCC1CCC(O)(Cc2[nH+]ccn2CCC)CC1 CCC[*:1] CCCC1CCC(O)(CC1)Cc1[nH+]ccn1[*:1]
CCCC1CCC(O)(Cc2[nH+]ccn2CCC)CC1 CCC[*:1] CCCn1cc[nH+]c1CC1(O)CCC(CC1)[*:1]
O=C(Nc1ccc(Cl)nn1)c1cc(=O)[nH]c2ccccc12 Clc1ccc(nn1)[*:1] O=C(N[*:1])c1cc(=O)[nH]c2ccccc12
Nc1nc2n(n1)C(=O)[C@@H](c1ccccc1)C([O-])=N2 c1ccc(cc1)[*:1] Nc1nc2N=C([O-])[C@H](C(=O)n2n1)[*:1]
CC[C@@H](OC(=O)c1ccc([S@](C)=O)cc1)c1ccc(C)cc1 C[S@](=O)[*:1] CC[C@@H](OC(=O)c1ccc(cc1)[*:1])c1ccc(C)cc1
CC[C@@H](OC(=O)c1ccc([S@](C)=O)cc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](OC(=O)c1ccc(cc1)[S@](C)=O)[*:1]
CC(C)c1nc(N(C)CCc2ccccn2)sc1C(=O)[O-] c1ccc(nc1)[*:1] CC(C)c1nc(sc1C(=O)[O-])N(C)CC[*:1]
CC(C)c1nc(N(C)CCc2ccccn2)sc1C(=O)[O-] O=C([O-])[*:1] CC(C)c1nc(sc1[*:1])N(C)CCc1ccccn1
CC(C)c1nc(N(C)CCc2ccccn2)sc1C(=O)[O-] c1ccc(C[*:1])nc1 CC(C)c1nc(sc1C(=O)[O-])N(C)C[*:1]
CC(C)c1nc(N(C)CCc2ccccn2)sc1C(=O)[O-] CC(C)[*:1] CN(CCc1ccccn1)c1nc(c(s1)C(=O)[O-])[*:1]
CC[C@H]1CN(CC(=O)N[C@@H](C)c2ccco2)CCO1 c1coc(c1)[*:1] CC[C@H]1CN(CCO1)CC(=O)N[C@@H](C)[*:1]
CC(C)Oc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 CC(C)[*:1] O=C1CCCc2cc(ccc2N1)S(=O)(=O)NCc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 CC(C)O[*:1] O=C1CCCc2cc(ccc2N1)S(=O)(=O)NCc1ccc(cc1)[*:1]
O=C(NNS(=O)(=O)c1cc(F)ccc1F)c1ccc2ccccc2n1 Fc1ccc(F)c(c1)[*:1] O=C(NNS(=O)(=O)[*:1])c1ccc2ccccc2n1
CC(C)N[C@@]1(C(N)=O)CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 CC(C)[*:1] CC(C)N[C@]1(CC[C@H](C1)[NH+]1CCN(CC1)[*:1])C(N)=O
CC(C)N[C@@]1(C(N)=O)CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 NC(=O)[*:1] CC(C)N[C@]1(CC[C@H](C1)[NH+]1CCN(CC1)C(C)C)[*:1]
CC(C)N[C@@]1(C(N)=O)CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 CC(C)[*:1] CC(C)N1CC[NH+](CC1)[C@@H]1CC[C@@](C1)(N[*:1])C(N)=O
CC(C)N[C@@]1(C(N)=O)CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 CC(C)N[*:1] CC(C)N1CC[NH+](CC1)[C@@H]1CC[C@@](C1)(C(N)=O)[*:1]
COc1ccc(OC(F)F)c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 FC(F)O[*:1] COc1ccc(c(c1)C[NH+]1C[C@@H]2CCC[C@H]2C1)[*:1]
COc1ccc(OC(F)F)c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 FC(F)[*:1] COc1ccc(O[*:1])c(c1)C[NH+]1C[C@@H]2CCC[C@H]2C1
CCOc1ncnc(NCc2cc(Br)ccc2F)c1N CCO[*:1] Nc1c(ncnc1[*:1])NCc1cc(Br)ccc1F
O=S1(=O)c2cccc3cccc(c23)N1C[C@@H](O)COc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=S1(=O)c2cccc3cccc(c23)N1C[C@@H](O)CO[*:1]
O=S1(=O)c2cccc3cccc(c23)N1C[C@@H](O)COc1ccc(Cl)cc1Cl Clc1ccc(O[*:1])c(Cl)c1 O=S1(=O)c2cccc3cccc(c23)N1C[C@@H](O)C[*:1]
COc1ccc(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)c(OC)c1 c1cc(ncn1)[*:1] COc1ccc(C(=O)N2CCC(CC2)c2nc(C)c(s2)[*:1])c(c1)OC
COc1ccc(C(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1nc(sc1-c1ccncn1)C1CCN(CC1)C(=O)[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)C1 CC(C)(C)[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)Nc1cccc(c1)CS(=O)(=O)[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)C1 CC(C)(C)S(=O)(=O)C[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)Nc1cccc(c1)[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)C1 CC(C)(C)S(=O)(=O)[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)Nc1cccc(c1)C[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H]([NH+]1CCSCC1)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H](c1ccccc1)[NH+]1CCSCC1
O=C(c1cc(Cl)cc(Cl)c1)N1CC(c2nc(-c3cccnc3)no2)C1 c1cncc(c1)[*:1] O=C(c1cc(Cl)cc(Cl)c1)N1CC(C1)c1nc(no1)[*:1]
O=C(c1cc(Cl)cc(Cl)c1)N1CC(c2nc(-c3cccnc3)no2)C1 Clc1cc(Cl)cc(c1)[*:1] O=C(N1CC(C1)c1nc(no1)-c1cccnc1)[*:1]
Cc1ccccc1[C@H]1C[C@H]1C(=O)OC(C)C CC(C)[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)O[*:1]
C/C(=N/NC(=O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C/C(=N/NC(=O)c1cccc(Cl)c1)c1ccc(cc1)[*:1]
C/C(=N/NC(=O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 Clc1cccc(c1)[*:1] C/C(=N/NC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1ccc(CCNC(=O)C2CN(C(=O)c3cc(C)on3)C2)cc1OC Cc1cc(no1)[*:1] COc1ccc(cc1OC)CCNC(=O)C1CN(C1)C(=O)[*:1]
CCc1ccc(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)NC(=O)[C@H]1CCN(C1)C(=O)O[*:1]
CCN(Cc1ccccn1)C(=O)NCc1ccc(C(C)(C)C)cc1 c1ccc(C[*:1])nc1 CCN(C(=O)NCc1ccc(cc1)C(C)(C)C)[*:1]
CCN(Cc1ccccn1)C(=O)NCc1ccc(C(C)(C)C)cc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)NCc1ccc(cc1)C(C)(C)C
CCN(Cc1ccccn1)C(=O)NCc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCN(Cc1ccccn1)C(=O)NCc1ccc(cc1)[*:1]
CC(=O)c1csc(N(C)Cc2cccc(C)n2)n1 CC(=O)[*:1] Cc1cccc(CN(C)c2nc(cs2)[*:1])n1
CCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC c1ccc(cc1)[*:1] CCSc1ncnc2c1c(cn2-c1ccccc1OC)[*:1]
CCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC CCS[*:1] COc1ccccc1-n1cc(-c2ccccc2)c2c(ncnc21)[*:1]
CCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC COc1ccccc1[*:1] CCSc1ncnc2c1c(cn2[*:1])-c1ccccc1
Cc1nc(C2CCN(C(=O)C[C@H](C)Cc3ccc(Cl)cc3)CC2)no1 Clc1ccc(cc1)C[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)C[C@H](C)[*:1]
Cc1nc(C2CCN(C(=O)C[C@H](C)Cc3ccc(Cl)cc3)CC2)no1 Cc1nc(no1)[*:1] C[C@@H](CC(=O)N1CCC(CC1)[*:1])Cc1ccc(Cl)cc1
Cc1nc(C2CCN(C(=O)C[C@H](C)Cc3ccc(Cl)cc3)CC2)no1 Clc1ccc(cc1)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)C[C@H](C)C[*:1]
Cc1cc([C@@H](C)NC(=O)CCCC(=O)N(C)C)cc(C)c1F CN(C)C(=O)CC[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)C[*:1]
Cc1cc([C@@H](C)NC(=O)CCCC(=O)N(C)C)cc(C)c1F CN(C)C(=O)[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)CCC[*:1]
Cc1cc([C@@H](C)NC(=O)CCCC(=O)N(C)C)cc(C)c1F CN(C)C(=O)C[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)CC[*:1]
C[C@H](CCS)CCn1c(=O)oc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] C[C@H](CCS)CCn1c(=O)oc2ccc(cc21)[*:1]
C[C@H](CCS)CCn1c(=O)oc2ccc([N+](=O)[O-])cc21 SCC[*:1] C[C@H](CCn1c(=O)oc2ccc(cc21)[N+](=O)[O-])[*:1]
COc1cccc(CN[C@@H](c2cc(=O)n3nc(C4CCOCC4)cc3[nH]2)C(C)C)c1 CC(C)[*:1] COc1cccc(c1)CN[C@@H](c1cc(=O)n2nc(cc2[nH]1)C1CCOCC1)[*:1]
COc1cccc(CN[C@@H](c2cc(=O)n3nc(C4CCOCC4)cc3[nH]2)C(C)C)c1 COc1cccc(c1)CN[*:1] CC(C)[C@H](c1cc(=O)n2nc(cc2[nH]1)C1CCOCC1)[*:1]
COc1cccc(CN[C@@H](c2cc(=O)n3nc(C4CCOCC4)cc3[nH]2)C(C)C)c1 COc1cccc(c1)C[*:1] CC(C)[C@@H](N[*:1])c1cc(=O)n2nc(cc2[nH]1)C1CCOCC1
COc1cccc(CN[C@@H](c2cc(=O)n3nc(C4CCOCC4)cc3[nH]2)C(C)C)c1 C1CC(CCO1)[*:1] COc1cccc(c1)CN[C@@H](c1cc(=O)n2nc(cc2[nH]1)[*:1])C(C)C
COc1cccc(CN[C@@H](c2cc(=O)n3nc(C4CCOCC4)cc3[nH]2)C(C)C)c1 COc1cccc(c1)[*:1] CC(C)[C@@H](NC[*:1])c1cc(=O)n2nc(cc2[nH]1)C1CCOCC1
COCCN(Cc1ccc(C#N)cc1)C(=O)NNC(=O)c1sccc1C Cc1ccsc1[*:1] COCCN(Cc1ccc(C#N)cc1)C(=O)NNC(=O)[*:1]
COCCN(Cc1ccc(C#N)cc1)C(=O)NNC(=O)c1sccc1C COCC[*:1] Cc1ccsc1C(=O)NNC(=O)N(Cc1ccc(C#N)cc1)[*:1]
COCCN(Cc1ccc(C#N)cc1)C(=O)NNC(=O)c1sccc1C N#Cc1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)NNC(=O)c1sccc1C
COCCN(Cc1ccc(C#N)cc1)C(=O)NNC(=O)c1sccc1C COC[*:1] Cc1ccsc1C(=O)NNC(=O)N(Cc1ccc(C#N)cc1)C[*:1]
COc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)CN(C)C(=O)c1ccccc1C(=O)[*:1]
COc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)cc1OC O=C(c1cccs1)[*:1] COc1ccc(cc1OC)CN(C)C(=O)c1ccccc1[*:1]
COc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Br)cc2)cc1 COc1ccc(cc1)[*:1] Cc1nn(-c2ccc(Br)cc2)c2NC(=O)C[C@H](C(=O)[*:1])c12
COc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)[C@H]1CC(=O)Nc2c1c(C)nn2[*:1]
CN(CCCNC(=O)[C@@H]1CCCN1C(N)=O)c1ccccc1F Fc1ccccc1[*:1] CN(CCCNC(=O)[C@@H]1CCCN1C(N)=O)[*:1]
COC(=O)[C@H]1CCCN1Cc1cccc(F)c1 COC(=O)[*:1] Fc1cccc(c1)CN1CCC[C@@H]1[*:1]
Cc1cc(NC(=O)Cn2cc(-c3cccc(F)c3F)cn2)n(-c2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(NC(=O)Cn2cc(cn2)-c2cccc(F)c2F)n(n1)[*:1]
Cc1cc(NC(=O)Cn2cc(-c3cccc(F)c3F)cn2)n(-c2ccccn2)n1 Fc1cccc(c1F)[*:1] Cc1cc(NC(=O)Cn2cc(cn2)[*:1])n(n1)-c1ccccn1
Cc1ccc(N2C(=O)c3cccnc3[C@@H]2CC(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)N1C(=O)c2cccnc2[C@@H]1C[*:1]
Cc1ccc(N2C(=O)c3cccnc3[C@@H]2CC(=O)N2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@H]1c2ncccc2C(=O)N1[*:1])N1CCCCC1
Cc1cccc(NCC(=O)N[C@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NCC(=O)N[C@H](C)[*:1]
COc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc3[nH]ncc23)cc1 COc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1nc(N[*:1])c2cn[nH]c2n1
CCO[C@H]1C[C@@H](NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)C12CCC2 CCO[*:1] COC[C@H](NC(=O)N[C@@H]1C[C@@H](C12CCC2)[*:1])c1ccc(F)c(F)c1
CCO[C@H]1C[C@@H](NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)C12CCC2 COC[*:1] CCO[C@H]1C[C@@H](NC(=O)N[C@@H](c2ccc(F)c(F)c2)[*:1])C12CCC2
CCO[C@H]1C[C@@H](NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)C12CCC2 Fc1ccc(cc1F)[*:1] CCO[C@H]1C[C@@H](NC(=O)N[C@@H](COC)[*:1])C12CCC2
Cc1cccnc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] Cc1cccnc1NC(=O)c1ccn(n1)-c1cccc(c1)[*:1]
Cc1cccnc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 Cc1cccnc1[*:1] O=C(N[*:1])c1ccn(n1)-c1cccc(c1)[N+](=O)[O-]
CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2ccc(C#N)cc2)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)C(=O)NCc1ccc(C#N)cc1)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)C(=O)NC[*:1]
CC(C)CCN(C(=O)OCCO)C1CC1 OCC[*:1] CC(C)CCN(C(=O)O[*:1])C1CC1
CC(C)CCN(C(=O)OCCO)C1CC1 C1CC1[*:1] CC(C)CCN(C(=O)OCCO)[*:1]
CC(C)CCN(C(=O)OCCO)C1CC1 CC(C)CC[*:1] O=C(OCCO)N(C1CC1)[*:1]
CC(C)CCN(C(=O)OCCO)C1CC1 CC(C)[*:1] O=C(OCCO)N(CC[*:1])C1CC1
CC(C)CCN(C(=O)OCCO)C1CC1 CC(C)C[*:1] O=C(OCCO)N(C[*:1])C1CC1
O=C(NCc1ccc(N2CCCC2=O)cc1)N1CCOCC1 O=C1CCCN1[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCOCC1
C[C@@H]1CCN(C(=O)CCc2nc(-c3ccccn3)no2)C[C@H]1O c1ccc(nc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)CCc1nc(no1)[*:1]
CNC(=O)c1ccc(NC(=O)c2cnn(CC(C)C)c2C2CC2)c(Cl)c1 CC(C)C[*:1] CNC(=O)c1ccc(NC(=O)c2cnn(c2C2CC2)[*:1])c(Cl)c1
CNC(=O)c1ccc(NC(=O)c2cnn(CC(C)C)c2C2CC2)c(Cl)c1 CNC(=O)[*:1] CC(C)Cn1ncc(C(=O)Nc2ccc(cc2Cl)[*:1])c1C1CC1
CNC(=O)c1ccc(NC(=O)c2cnn(CC(C)C)c2C2CC2)c(Cl)c1 C1CC1[*:1] CNC(=O)c1ccc(NC(=O)c2cnn(CC(C)C)c2[*:1])c(Cl)c1
CNC(=O)c1ccc(NC(=O)c2cnn(CC(C)C)c2C2CC2)c(Cl)c1 CC(C)[*:1] CNC(=O)c1ccc(NC(=O)c2cnn(C[*:1])c2C2CC2)c(Cl)c1
CC(C)(C)OC(=O)N1CCC[C@H](O)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](O)CC1
CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(C(=O)NC2CCCCC2)cc1 O=C(NC1CCCCC1)[*:1] CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(cc1)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(C(=O)NC2CCCCC2)cc1 CC(C)[*:1] C[C@@](C#N)(NC(=O)CNc1ccc(cc1)C(=O)NC1CCCCC1)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(cc1)C(=O)N[*:1]
CCc1c(C(=O)N[C@@H]2CCC[C@H]2C)cnn1-c1ccccn1 c1ccc(nc1)[*:1] CCc1c(cnn1[*:1])C(=O)N[C@@H]1CCC[C@H]1C
O=C(Cc1cccs1)NC[C@@]1(O)CCSC1 c1csc(c1)[*:1] O=C(C[*:1])NC[C@@]1(O)CCSC1
CC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1nncs1 c1nnc(S[*:1])s1 CC[NH2+][C@]1(CCC[C@H]1CC[*:1])C(N)=O
CC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1nncs1 NC(=O)[*:1] CC[NH2+][C@]1(CCC[C@H]1CCSc1nncs1)[*:1]
CC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1nncs1 c1nnc(s1)[*:1] CC[NH2+][C@]1(CCC[C@H]1CCS[*:1])C(N)=O
C[C@H]1C[C@H]1C(=O)Nc1cccc(Oc2ncccn2)c1 c1cnc(nc1)[*:1] C[C@H]1C[C@H]1C(=O)Nc1cccc(c1)O[*:1]
C[C@H](CCCO)NC(=O)c1cccc(OC(F)F)c1 OCC[*:1] C[C@H](C[*:1])NC(=O)c1cccc(c1)OC(F)F
C[C@H](CCCO)NC(=O)c1cccc(OC(F)F)c1 C[C@H](CCCO)[*:1] O=C(N[*:1])c1cccc(c1)OC(F)F
C[C@H](CCCO)NC(=O)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H](CCCO)NC(=O)c1cccc(c1)O[*:1]
C[C@H](CCCO)NC(=O)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H](CCCO)NC(=O)c1cccc(c1)[*:1]
C[C@H](CCCO)NC(=O)c1cccc(OC(F)F)c1 OCCC[*:1] C[C@H](NC(=O)c1cccc(c1)OC(F)F)[*:1]
Cc1noc(CCCC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)n1 CS(=O)(=O)NC[*:1] Cc1noc(CCCC(=O)N2CCC[C@H](C2)[*:1])n1
Cc1noc(CCCC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)n1 CS(=O)(=O)N[*:1] Cc1noc(CCCC(=O)N2CCC[C@@H](C2)C[*:1])n1
Cc1noc(CCCC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)n1 Cc1noc(C[*:1])n1 CS(=O)(=O)NC[C@H]1CCCN(C1)C(=O)CC[*:1]
Cc1noc(CCCC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)n1 Cc1noc(n1)[*:1] CS(=O)(=O)NC[C@H]1CCCN(C1)C(=O)CCC[*:1]
CC(C)(C)c1ccc(C2(/C([O-])=N/c3ncn[nH]3)CC2)cc1 CC(C)(C)[*:1] [O-]/C(=N\c1ncn[nH]1)C1(CC1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C2(/C([O-])=N/c3ncn[nH]3)CC2)cc1 c1n[nH]c(n1)[*:1] CC(C)(C)c1ccc(cc1)C1(CC1)C([O-])=N[*:1]
Cc1ccc(-n2nnnc2CNS(=O)(=O)c2cccc(F)c2)cc1C Cc1ccc(cc1C)[*:1] O=S(=O)(NCc1nnnn1[*:1])c1cccc(F)c1
Cc1ccc(-n2nnnc2CNS(=O)(=O)c2cccc(F)c2)cc1C Fc1cccc(c1)[*:1] Cc1ccc(cc1C)-n1nnnc1CNS(=O)(=O)[*:1]
CCCCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12 CCCC[*:1] CCN(C(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(cc3[C@@H]12)OC)[*:1]
CCCCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12 CCCCN(CC)C(=O)[*:1] COc1cc2CCN3C(=O)c4ccccc4[C@H]([C@@H]3c2cc1OC)[*:1]
CCCCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12 CCC[*:1] CCN(C[*:1])C(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(cc3[C@@H]12)OC
[NH3+]C[C@@H](Cc1ccsc1)c1ccccc1Cl c1cc(cs1)[*:1] [NH3+]C[C@@H](C[*:1])c1ccccc1Cl
CCOC(=O)C(C#N)=C1CCCCC[C@H]1/C(SC)=C(/C#N)C(=O)OC CCOC(=O)[*:1] COC(=O)/C(C#N)=C(/SC)[C@@H]1CCCCCC1=C(C#N)[*:1]
CCOC(=O)C(C#N)=C1CCCCC[C@H]1/C(SC)=C(/C#N)C(=O)OC COC(=O)[*:1] CCOC(=O)C(C#N)=C1CCCCC[C@H]1C(SC)=C(C#N)[*:1]
C[C@@H](Cc1ccccc1F)C(=O)NCc1cccc2cccnc12 Fc1ccccc1[*:1] C[C@@H](C[*:1])C(=O)NCc1cccc2cccnc12
C[C@@H](Cc1ccccc1F)C(=O)NCc1cccc2cccnc12 Fc1ccccc1C[*:1] C[C@@H](C(=O)NCc1cccc2cccnc12)[*:1]
CC(C)c1ccc(CNC(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@H](CC1C[NH+]=c2ccccc2=1)C(=O)[O-]
CC(C)c1ccc(CNC(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)CNC(=O)N[C@H](CC1C[NH+]=c2ccccc2=1)[*:1]
CC(C)c1ccc(CNC(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])cc1 CC(C)c1ccc(cc1)[*:1] O=C(NC[*:1])N[C@H](CC1C[NH+]=c2ccccc2=1)C(=O)[O-]
CCc1nc([C@@H]2CCCN2Cc2ccc(C#N)cc2F)no1 CCc1nc(no1)[*:1] N#Cc1ccc(CN2CCC[C@H]2[*:1])c(F)c1
[NH3+]CCOCC(=O)N[C@]1(C(=O)[O-])CCOC1 O=C([O-])[*:1] [NH3+]CCOCC(=O)N[C@@]1(CCOC1)[*:1]
[NH3+]CCOCC(=O)N[C@]1(C(=O)[O-])CCOC1 [NH3+]CCO[*:1] O=C(C[*:1])N[C@@]1(CCOC1)C(=O)[O-]
[NH3+]CCOCC(=O)N[C@]1(C(=O)[O-])CCOC1 [NH3+]CCOC[*:1] O=C([O-])[C@]1(CCOC1)NC(=O)[*:1]
[NH3+]CCOCC(=O)N[C@]1(C(=O)[O-])CCOC1 [NH3+]CC[*:1] O=C(CO[*:1])N[C@@]1(CCOC1)C(=O)[O-]
CN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)NCc3ccccn3)ccc21 c1ccc(nc1)[*:1] CN1C(=O)C(=C2CCCC2)c2cc(ccc21)S(=O)(=O)NC[*:1]
CN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)NCc3ccccn3)ccc21 c1ccc(C[*:1])nc1 CN1C(=O)C(=C2CCCC2)c2cc(ccc21)S(=O)(=O)N[*:1]
CC(C)[C@H](C(=O)NCCN1CCOCC1)n1nnc2ccccc2c1=O CC(C)[*:1] O=C(NCCN1CCOCC1)[C@H](n1nnc2ccccc2c1=O)[*:1]
CC(C)[C@H](C(=O)NCCN1CCOCC1)n1nnc2ccccc2c1=O C1CN(CCO1)C[*:1] CC(C)[C@H](C(=O)NC[*:1])n1nnc2ccccc2c1=O
CC(C)[C@H](C(=O)NCCN1CCOCC1)n1nnc2ccccc2c1=O C1CN(CCO1)CC[*:1] CC(C)[C@H](C(=O)N[*:1])n1nnc2ccccc2c1=O
CC(C)[C@H](C(=O)NCCN1CCOCC1)n1nnc2ccccc2c1=O C1CN(CCO1)[*:1] CC(C)[C@H](C(=O)NCC[*:1])n1nnc2ccccc2c1=O
C[C@@H]([NH2+]CCNS(=O)(=O)c1ccn(C)c1)c1cc(F)cc(F)c1 Cn1ccc(c1)[*:1] C[C@@H]([NH2+]CCNS(=O)(=O)[*:1])c1cc(F)cc(F)c1
CC(=O)c1cccc(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1cccc(c1)Nc1ncnc(Oc2cccnc2)c1[*:1]
CC(=O)c1cccc(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])c1 CC(=O)[*:1] O=[N+]([O-])c1c(ncnc1Oc1cccnc1)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])c1 c1cncc(c1)O[*:1] CC(=O)c1cccc(c1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
CC(=O)c1cccc(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])c1 c1cncc(c1)[*:1] CC(=O)c1cccc(c1)Nc1ncnc(O[*:1])c1[N+](=O)[O-]
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(c2ncccc2F)C1 Fc1cccnc1[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C1)[*:1]
Cc1nc(C[S@@](=O)[C@H](C)C(=O)N2CCCc3ccccc32)sc1C Cc1nc(sc1C)[*:1] C[C@H](C(=O)N1CCCc2ccccc21)[S@](=O)C[*:1]
Cc1nc(C[S@@](=O)[C@H](C)C(=O)N2CCCc3ccccc32)sc1C Cc1nc(C[*:1])sc1C C[C@H](C(=O)N1CCCc2ccccc21)[S@](=O)[*:1]
Cc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2[N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Oc1ccc(C=O)cc1[*:1]
Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3C=CCCC3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(N[C@@H]1C=CCCC1)[C@H]1CCC(=O)N(C1)[*:1]
COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 FC(F)(F)[*:1] COc1ccc(NC(=O)Nc2cccc(c2)[*:1])c(c1)OC
CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccccc1C Cc1ccccc1[*:1] CCN(CC)C(=O)[C@H]1CCCN1C(=O)[*:1]
CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccccc1C CCN(CC)C(=O)[*:1] Cc1ccccc1C(=O)N1CCC[C@@H]1[*:1]
CCOc1cc(SC(=S)N2CCCC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1cc(ccc1[*:1])SC(=S)N1CCCC1
CCOc1cc(SC(=S)N2CCCC2)ccc1[N+](=O)[O-] CCO[*:1] O=[N+]([O-])c1ccc(cc1[*:1])SC(=S)N1CCCC1
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccco3)sc2c1 O=C(c1ccccc1)[*:1] CCOc1ccc2nc(sc2c1)N1C(=O)C([O-])=C([C@H]1c1ccco1)[*:1]
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccco3)sc2c1 CCO[*:1] O=C(C1=C([O-])C(=O)N(c2nc3ccc(cc3s2)[*:1])[C@@H]1c1ccco1)c1ccccc1
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccco3)sc2c1 c1ccc(cc1)[*:1] CCOc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccco1
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccco3)sc2c1 c1coc(c1)[*:1] CCOc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1[*:1]
O=C(CSc1ccc(F)cc1)Nc1nnc(-c2ccccn2)o1 c1ccc(nc1)[*:1] O=C(CSc1ccc(F)cc1)Nc1nnc(o1)[*:1]
O=C(CSc1ccc(F)cc1)Nc1nnc(-c2ccccn2)o1 Fc1ccc(cc1)[*:1] O=C(CS[*:1])Nc1nnc(o1)-c1ccccn1
[NH3+][C@@]1(C(=O)[O-])CCC[C@@H]1CCOC1CCCCC1 C1CCC(CC1)[*:1] [NH3+][C@]1(CCC[C@@H]1CCO[*:1])C(=O)[O-]
[NH3+][C@@]1(C(=O)[O-])CCC[C@@H]1CCOC1CCCCC1 O=C([O-])[*:1] [NH3+][C@]1(CCC[C@@H]1CCOC1CCCCC1)[*:1]
O=C1C[C@@H](NS(=O)(=O)c2ccccc2)CN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1Cc1ccccc1)NS(=O)(=O)[*:1]
O=C1C[C@@H](NS(=O)(=O)c2ccccc2)CN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1C[*:1])NS(=O)(=O)c1ccccc1
O=C1C[C@@H](NS(=O)(=O)c2ccccc2)CN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@H](CN1[*:1])NS(=O)(=O)c1ccccc1
O=C([C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1)N1CCCCC1 c1ccc(cc1)S[*:1] O=C([C@@H]1CCCN(C1)c1nccnc1[*:1])N1CCCCC1
O=C([C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1ccc(cc1)Sc1nccnc1N1CCC[C@H](C1)[*:1]
O=C([C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1)N1CCCCC1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCN(C1)c1nccnc1S[*:1])N1CCCCC1
CCCN(C(=O)c1cn2cc(-c3ccc(OC)cc3)n(C)c(=O)c2n1)C1CC1 COc1ccc(cc1)[*:1] CCCN(C(=O)c1cn2cc(n(C)c(=O)c2n1)[*:1])C1CC1
CCCN(C(=O)c1cn2cc(-c3ccc(OC)cc3)n(C)c(=O)c2n1)C1CC1 CCC[*:1] COc1ccc(cc1)-c1cn2cc(nc2c(=O)n1C)C(=O)N(C1CC1)[*:1]
CCCN(C(=O)c1cn2cc(-c3ccc(OC)cc3)n(C)c(=O)c2n1)C1CC1 CCCN(C(=O)[*:1])C1CC1 COc1ccc(cc1)-c1cn2cc(nc2c(=O)n1C)[*:1]
CCCN(C(=O)c1cn2cc(-c3ccc(OC)cc3)n(C)c(=O)c2n1)C1CC1 C1CC1[*:1] CCCN(C(=O)c1cn2cc(-c3ccc(cc3)OC)n(C)c(=O)c2n1)[*:1]
Cc1cccc2cc(C#N)c(NCCCNC(=O)c3cccs3)nc12 c1csc(c1)[*:1] Cc1cccc2cc(C#N)c(nc12)NCCCNC(=O)[*:1]
Cc1cccc2cc(C#N)c(NCCCNC(=O)c3cccs3)nc12 O=C(N[*:1])c1cccs1 Cc1cccc2cc(C#N)c(nc12)NCCC[*:1]
CCC(CC)N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CCC(CC)N(C)S(=O)(=O)c1ccc(cc1)[*:1]
CCC(CC)N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 CCC(CC)[*:1] CN(S(=O)(=O)c1ccc(cc1)S(N)(=O)=O)[*:1]
CCCN[C@@]1(C#N)CCC[C@@H](Sc2ncn[nH]2)C1 c1n[nH]c(n1)S[*:1] CCCN[C@@]1(C#N)CCC[C@@H](C1)[*:1]
CCCN[C@@]1(C#N)CCC[C@@H](Sc2ncn[nH]2)C1 CCCN[*:1] N#C[C@]1(CCC[C@H](C1)Sc1ncn[nH]1)[*:1]
CCCN[C@@]1(C#N)CCC[C@@H](Sc2ncn[nH]2)C1 CCC[*:1] N#C[C@@]1(CCC[C@H](C1)Sc1ncn[nH]1)N[*:1]
CCCN[C@@]1(C#N)CCC[C@@H](Sc2ncn[nH]2)C1 c1n[nH]c(n1)[*:1] CCCN[C@@]1(C#N)CCC[C@H](C1)S[*:1]
Cc1nnnn1-c1cccc(C(=O)NCc2ccccc2)c1 Cc1nnnn1[*:1] O=C(NCc1ccccc1)c1cccc(c1)[*:1]
Cc1nnnn1-c1cccc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1nnnn1-c1cccc(c1)C(=O)NC[*:1]
Cc1nnnn1-c1cccc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1nnnn1-c1cccc(c1)C(=O)N[*:1]
CCc1ccsc1CNC(=O)Nc1nc(C(C)C)nn1C CC(C)[*:1] CCc1ccsc1CNC(=O)Nc1nc(nn1C)[*:1]
CCc1ccsc1CNC(=O)Nc1nc(C(C)C)nn1C CCc1ccsc1[*:1] CC(C)c1nc(NC(=O)NC[*:1])n(C)n1
Cc1cc(C)cc(OCCNC(=O)CCN2C(=O)c3ccccc3C2=O)c1 Cc1cc(C)cc(c1)O[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)NCC[*:1]
Cc1cc(C)cc(OCCNC(=O)CCN2C(=O)c3ccccc3C2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)NCCO[*:1]
COc1ccc(OC)c(/C=C/C(=O)NCC(C)(C)OC)c1 COC(C)(C)[*:1] COc1ccc(OC)c(/C=C/C(=O)NC[*:1])c1
COc1ccc(OC)c(/C=C/C(=O)NCC(C)(C)OC)c1 COC(C)(C)C[*:1] COc1ccc(OC)c(/C=C/C(=O)N[*:1])c1
CSCc1nnc(SCc2ccccn2)o1 CSC[*:1] c1ccc(CSc2nnc(o2)[*:1])nc1
COc1cc(CCNC(=O)NCc2cccc(C)n2)ccc1F Cc1cccc(n1)[*:1] COc1cc(ccc1F)CCNC(=O)NC[*:1]
O=C([O-])c1ccc(C[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 O=C([O-])[*:1] O=C1S[C@H](Cc2ccc(cc2)[*:1])C(=O)N1c1ccccc1
O=C([O-])c1ccc(C[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)C[C@H]1SC(=O)N(C1=O)[*:1]
Cn1ncc(N)c1NC(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cn1ncc(N)c1NC(=O)c1ccccc1[*:1]
CO[C@@]1(C)C[C@@H](NC(=O)c2ccc(Br)o2)C1(C)C Brc1ccc(o1)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)[*:1])C1(C)C
Cc1c(Cl)cccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1 Cc1c(Cl)cccc1[*:1] CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)[*:1])C(=O)C2
NC(=S)COc1ccc(NC(=O)c2ccc(F)cc2)cc1 NC(=S)C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccc(F)cc1
NC(=S)COc1ccc(NC(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] NC(=S)COc1ccc(cc1)NC(=O)[*:1]
NC(=S)COc1ccc(NC(=O)c2ccc(F)cc2)cc1 NC(=S)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(F)cc1
NC(=S)COc1ccc(NC(=O)c2ccc(F)cc2)cc1 NC(=S)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1ccc(F)cc1
CN(CCc1cn[nH]c1)C(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2 c1n[nH]cc1C[*:1] CN(C[*:1])C(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2
CN(CCc1cn[nH]c1)C(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2 c1n[nH]cc1[*:1] CN(CC[*:1])C(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2
CN(CCc1cn[nH]c1)C(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2 c1n[nH]cc1CC[*:1] CN(C(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2)[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CS[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSc1ccc(Cl)cc1 Cc1cc(Br)ccc1[*:1] CN(CC(=O)N[*:1])C(=O)CSc1ccc(Cl)cc1
CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1Cl Cc1ccc(cc1)[*:1] CCOc1ccc(cc1Cl)C(=O)NC(=S)Nc1cc2nn(nc2cc1C)[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1Cl CCO[*:1] Cc1ccc(cc1)-n1nc2cc(C)c(cc2n1)NC(=S)NC(=O)c1ccc(c(Cl)c1)[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1Cl CCOc1ccc(cc1Cl)[*:1] Cc1ccc(cc1)-n1nc2cc(C)c(cc2n1)NC(=S)NC(=O)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)C[C@H](O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)C[C@H](O)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)C[C@H](O)c2cccc(F)c2)C1 CCS[*:1] O=C(C[C@H](O)c1cccc(F)c1)N[C@@H]1CC[C@@H](C1)[*:1]
COCC(=O)N1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 COC[*:1] O=C(N1CCN(CC1)Cc1cc(Cl)c2OCCOc2c1)[*:1]
CC[C@H](C(C)C)[C@](C)(O)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C(C)C)[C@](C)(O)[*:1]
CC[C@H](C(C)C)[C@](C)(O)C(=O)[O-] CC(C)[*:1] CC[C@H]([C@](C)(O)C(=O)[O-])[*:1]
CCc1ccc(CCC(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)CCC(=O)N1CC[C@](O)(C1)[*:1]
CNC(=O)[C@H]1CCCN(Cc2nc3c(s2)C[C@H](C)CC3)C1 CNC(=O)[*:1] C[C@@H]1CCc2nc(CN3CCC[C@@H](C3)[*:1])sc2C1
Cc1cncc(C(=O)NCC(C2CC2)C2CC2)c1 C1CC1[*:1] Cc1cncc(c1)C(=O)NCC(C1CC1)[*:1]
C[C@H](NC/C=C/c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)c(F)c1 N#Cc1ccc(cc1)[*:1] C[C@H](NCC=C[*:1])c1ccc(c(F)c1)S(C)(=O)=O
C[C@H](NC/C=C/c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] C[C@H](NC/C=C/c1ccc(C#N)cc1)c1ccc(c(F)c1)[*:1]
Cc1cc(C(=O)N(Cc2ccco2)c2nc3c(C)cccc3s2)on1 c1coc(c1)C[*:1] Cc1cc(on1)C(=O)N(c1nc2c(C)cccc2s1)[*:1]
Cc1cc(C(=O)N(Cc2ccco2)c2nc3c(C)cccc3s2)on1 c1coc(c1)[*:1] Cc1cc(on1)C(=O)N(C[*:1])c1nc2c(C)cccc2s1
Cc1cc(C(=O)N(Cc2ccco2)c2nc3c(C)cccc3s2)on1 Cc1cc(on1)[*:1] Cc1cccc2sc(nc12)N(Cc1ccco1)C(=O)[*:1]
CCOc1cccc2sc(N3CCN(C(=O)/C=C/c4ccccc4Cl)CC3)nc12 Clc1ccccc1C=C[*:1] CCOc1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
CCOc1cccc2sc(N3CCN(C(=O)/C=C/c4ccccc4Cl)CC3)nc12 Clc1ccccc1[*:1] CCOc1cccc2sc(nc12)N1CCN(CC1)C(=O)C=C[*:1]
CCOc1cccc2sc(N3CCN(C(=O)/C=C/c4ccccc4Cl)CC3)nc12 CCO[*:1] O=C(/C=C/c1ccccc1Cl)N1CCN(CC1)c1nc2c(cccc2s1)[*:1]
CCOc1cc([C@@H]2Nc3ccccc3-c3cc(C)nn32)ccc1O CCO[*:1] Cc1cc2-c3ccccc3N[C@@H](c3ccc(O)c(c3)[*:1])n2n1
CC(C)N(CC1CC1)S(=O)(=O)c1ccccc1Br C1CC1C[*:1] CC(C)N(S(=O)(=O)c1ccccc1Br)[*:1]
CC(C)N(CC1CC1)S(=O)(=O)c1ccccc1Br C1CC1[*:1] CC(C)N(C[*:1])S(=O)(=O)c1ccccc1Br
CC(C)N(CC1CC1)S(=O)(=O)c1ccccc1Br CC(C)[*:1] O=S(=O)(c1ccccc1Br)N(CC1CC1)[*:1]
Cc1ccc(N2C[C@H](C(=O)NCc3nnc4n3CCC4)CC2=O)c(F)c1 C1Cc2nnc(n2C1)[*:1] Cc1ccc(c(F)c1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@H](C(=O)NCc3nnc4n3CCC4)CC2=O)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(NCc1nnc2CCCn21)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NNc1ccccc1)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)[*:1] O=C(NN[*:1])c1cn(Cc2ccccc2)nc1-c1cccs1
O=C(NNc1ccccc1)c1cn(Cc2ccccc2)nc1-c1cccs1 c1csc(c1)[*:1] O=C(NNc1ccccc1)c1cn(Cc2ccccc2)nc1[*:1]
O=C(NNc1ccccc1)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)[*:1] O=C(NNc1ccccc1)c1cn(C[*:1])nc1-c1cccs1
O=C(NNc1ccccc1)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)C[*:1] O=C(NNc1ccccc1)c1cn(nc1-c1cccs1)[*:1]
O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@@H](Sc2ncn[nH]2)C1 c1n[nH]c(n1)S[*:1] O=C([O-])[C@]1(CCC[C@@H](C1)[*:1])[NH2+]C1CC1
O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@@H](Sc2ncn[nH]2)C1 C1CC1[*:1] O=C([O-])[C@]1(CCC[C@H](C1)Sc1ncn[nH]1)[NH2+][*:1]
O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@@H](Sc2ncn[nH]2)C1 c1n[nH]c(n1)[*:1] O=C([O-])[C@]1(CCC[C@H](C1)S[*:1])[NH2+]C1CC1
O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@@H](Sc2ncn[nH]2)C1 O=C([O-])[*:1] c1n[nH]c(n1)S[C@@H]1CCC[C@@](C1)([NH2+]C1CC1)[*:1]
COc1cc(OC)cc(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 c1coc(c1)C[*:1] COc1cc(cc(c1)C(=O)N(Cc1cccnc1)[*:1])OC
COc1cc(OC)cc(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 c1coc(c1)[*:1] COc1cc(cc(c1)C(=O)N(Cc1cccnc1)C[*:1])OC
COc1cc(OC)cc(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 c1cncc(c1)[*:1] COc1cc(cc(c1)C(=O)N(Cc1ccco1)C[*:1])OC
COc1cc(OC)cc(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 c1cncc(c1)C[*:1] COc1cc(cc(c1)C(=O)N(Cc1ccco1)[*:1])OC
COc1ccc(O[C@@H](C)C(=O)NCc2ccncc2)cc1 c1cc(ccn1)C[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)N[*:1]
COc1ccc(O[C@@H](C)C(=O)NCc2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)NC[*:1]
COc1cc(OC)cc(C(=O)N(Cc2ccco2)c2nc3ccc(F)cc3s2)c1 c1coc(c1)[*:1] COc1cc(cc(c1)C(=O)N(C[*:1])c1nc2ccc(F)cc2s1)OC
COc1cc(OC)cc(C(=O)N(Cc2ccco2)c2nc3ccc(F)cc3s2)c1 c1coc(c1)C[*:1] COc1cc(cc(c1)C(=O)N(c1nc2ccc(F)cc2s1)[*:1])OC
Cc1nc(NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)sc1C Cc1nc(sc1C)[*:1] O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N[*:1]
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C c1csc(n1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(cc2)S(=O)(=O)N[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C O=S(=O)(Nc1nccs1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(cc2)[*:1])c1C
CC[C@H]1CCC[C@@H](NC(=O)NCc2cccc(NC(C)=O)c2)C1 CC(=O)N[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)NCc1cccc(c1)[*:1]
Cc1cc(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)no1 O=C1CC[C@H](N1)[*:1] Cc1cc(no1)NC(=O)CNC(=O)[*:1]
Cc1cc(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)no1 Cc1cc(no1)[*:1] O=C1CC[C@H](N1)C(=O)NCC(=O)N[*:1]
COc1ccc(-c2ccc(N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)nn2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
COc1ccc(-c2ccc(N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)nn2)cc1 COc1ccc(cc1)[*:1] O=C(C1CCN(CC1)c1ccc(nn1)[*:1])N1CCN(CC1)c1ccc(F)cc1
COc1ccc2oc(C(=O)NNC(=S)Nc3cc(C)ccc3F)c(C)c2c1 Cc1ccc(F)c(c1)[*:1] COc1ccc2oc(C(=O)NNC(=S)N[*:1])c(C)c2c1
COCc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1 COC[*:1] Cc1c(cccc1NC(=O)c1ccc(cc1)[*:1])C[NH+]1CCSCC1
C[C@@H]1C[C@H](NC(=O)CCCNC(=O)c2ccccc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)CCCNC(=O)[*:1]
C[C@@H]1C[C@H](NC(=O)CCCNC(=O)c2ccccc2)CN1c1ccccc1 O=C(N[*:1])c1ccccc1 C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)CCC[*:1]
C[C@@H]1C[C@H](NC(=O)CCCNC(=O)c2ccccc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)CCCNC(=O)c1ccccc1
CCSc1ccccc1C(=O)N1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 CS(=O)(=O)[*:1] CCSc1ccccc1C(=O)N1CCN(CC1)c1nc2c(cccc2s1)[*:1]
CCSc1ccccc1C(=O)N1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 CCSc1ccccc1[*:1] CS(=O)(=O)c1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
CCSc1ccccc1C(=O)N1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 CCS[*:1] CS(=O)(=O)c1cccc2sc(nc12)N1CCN(CC1)C(=O)c1ccccc1[*:1]
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCS[C@@H](C)[C@@H]1C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1C(=O)N1CCS[C@@H](C)[C@@H]1C)[*:1]
O=C(Cn1cnnn1)NNc1cccc(Cl)c1 c1nnnn1[*:1] O=C(C[*:1])NNc1cccc(Cl)c1
CC(C)N(C)C(=O)NCc1cccnc1OCc1ccccc1 CC(C)[*:1] CN(C(=O)NCc1cccnc1OCc1ccccc1)[*:1]
CC(C)N(C)C(=O)NCc1cccnc1OCc1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C)C(=O)NCc1cccnc1OC[*:1]
CC(C)N(C)C(=O)NCc1cccnc1OCc1ccccc1 c1ccc(cc1)C[*:1] CC(C)N(C)C(=O)NCc1cccnc1O[*:1]
C[C@H](C(=O)Nc1nc2ccccc2s1)n1c(N)nnc1SCCc1ccccc1 c1ccc(cc1)CCS[*:1] C[C@H](C(=O)Nc1nc2ccccc2s1)n1c(N)nnc1[*:1]
C[C@H](C(=O)Nc1nc2ccccc2s1)n1c(N)nnc1SCCc1ccccc1 c1ccc2sc(nc2c1)[*:1] C[C@H](C(=O)N[*:1])n1c(N)nnc1SCCc1ccccc1
C[C@H](C(=O)Nc1nc2ccccc2s1)n1c(N)nnc1SCCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](C(=O)Nc1nc2ccccc2s1)n1c(N)nnc1SCC[*:1]
C[C@H](C(=O)Nc1nc2ccccc2s1)n1c(N)nnc1SCCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](C(=O)Nc1nc2ccccc2s1)n1c(N)nnc1SC[*:1]
C[C@H](C(=O)Nc1nc2ccccc2s1)n1c(N)nnc1SCCc1ccccc1 c1ccc(cc1)CC[*:1] C[C@H](C(=O)Nc1nc2ccccc2s1)n1c(N)nnc1S[*:1]
O=[N+]([O-])c1ccc(Nc2nc(-c3ccncc3)cs2)cc1 O=[N+]([O-])[*:1] c1cc(ccn1)-c1csc(n1)Nc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(Nc2nc(-c3ccncc3)cs2)cc1 c1cc(ccn1)[*:1] O=[N+]([O-])c1ccc(cc1)Nc1nc(cs1)[*:1]
CCC[C@]1(C)CCCN(C(=O)N[C@H]2CCCc3c2cnn3C)C1 CCC[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC[C@@](C)(C1)[*:1]
CCOC[C@@H]1CCCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1 CCO[*:1] CC(C)N(C)c1cccc(c1)NC(=O)N1CCC[C@H](C1)C[*:1]
CCOC[C@@H]1CCCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1 CC(C)N(C)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)Nc1cccc(c1)[*:1]
CCOC[C@@H]1CCCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1 CCOC[*:1] CC(C)N(C)c1cccc(c1)NC(=O)N1CCC[C@H](C1)[*:1]
CCOC[C@@H]1CCCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1 CC(C)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)Nc1cccc(c1)N(C)[*:1]
COC[C@@](C)(NC(=O)NCc1ccc(C(N)=O)o1)c1ccccc1 NC(=O)[*:1] COC[C@@](C)(NC(=O)NCc1ccc(o1)[*:1])c1ccccc1
COC[C@@](C)(NC(=O)NCc1ccc(C(N)=O)o1)c1ccccc1 COC[*:1] C[C@@](NC(=O)NCc1ccc(o1)C(N)=O)(c1ccccc1)[*:1]
COC[C@@](C)(NC(=O)NCc1ccc(C(N)=O)o1)c1ccccc1 NC(=O)c1ccc(o1)[*:1] COC[C@@](C)(NC(=O)NC[*:1])c1ccccc1
COC[C@@](C)(NC(=O)NCc1ccc(C(N)=O)o1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@](C)(NC(=O)NCc1ccc(o1)C(N)=O)[*:1]
O=C(NC[C@H](O)c1ccsc1)c1cc(C2CC2)nc2ccc(F)cc12 c1cc(cs1)[*:1] O=C(NC[C@H](O)[*:1])c1cc(nc2ccc(F)cc12)C1CC1
O=C(NC[C@H](O)c1ccsc1)c1cc(C2CC2)nc2ccc(F)cc12 C1CC1[*:1] O=C(NC[C@H](O)c1ccsc1)c1cc(nc2ccc(F)cc12)[*:1]
CS[C@@H](C)C(=O)NC[C@@H](C)N(C)c1ccccc1 CS[C@@H](C)[*:1] C[C@H](CNC(=O)[*:1])N(C)c1ccccc1
CS[C@@H](C)C(=O)NC[C@@H](C)N(C)c1ccccc1 c1ccc(cc1)[*:1] CS[C@@H](C)C(=O)NC[C@@H](C)N(C)[*:1]
Cc1ccncc1NC(=O)c1ccccc1COc1cccc(C=O)c1 O=Cc1cccc(c1)[*:1] Cc1ccncc1NC(=O)c1ccccc1CO[*:1]
Cc1ccncc1NC(=O)c1ccccc1COc1cccc(C=O)c1 Cc1ccncc1[*:1] O=Cc1cccc(c1)OCc1ccccc1C(=O)N[*:1]
C[C@@H](Oc1ccccc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H](Oc1ccccc1)C(=O)NC[C@H](c1ccccc1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)O[*:1] C[C@@H](C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
C[C@@H](Oc1ccccc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12
C[C@@H](Oc1ccccc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 C[C@@H](Oc1ccccc1)[*:1] O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
C[C@@H](Oc1ccccc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1)C(=O)NC[C@H](c1c[nH]c2ccccc12)[*:1]
Cn1ncc([C@H](O)Cc2nccs2)c1N c1csc(n1)[*:1] Cn1ncc(c1N)[C@H](O)C[*:1]
O=C(CCn1ccc(=O)[nH]c1=O)Nc1cccc(-c2cn3ccsc3n2)c1 O=c1ccn(c(=O)[nH]1)[*:1] O=C(CC[*:1])Nc1cccc(c1)-c1cn2ccsc2n1
O=C(CCn1ccc(=O)[nH]c1=O)Nc1cccc(-c2cn3ccsc3n2)c1 O=c1ccn(C[*:1])c(=O)[nH]1 O=C(C[*:1])Nc1cccc(c1)-c1cn2ccsc2n1
O=C(CCn1ccc(=O)[nH]c1=O)Nc1cccc(-c2cn3ccsc3n2)c1 c1cn2cc(nc2s1)[*:1] O=C(CCn1ccc(=O)[nH]c1=O)Nc1cccc(c1)[*:1]
CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 CCN(CC)S(=O)(=O)[*:1] O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(c1)[*:1]
CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)N1C[C@H](O)C[C@@H]1[*:1]
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)C1CCCCC1 N#Cc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])C1CCCCC1
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[*:1]
C[C@H](CCCO)NC(=O)c1cc(Br)cnc1Cl OCC[*:1] C[C@H](C[*:1])NC(=O)c1cc(Br)cnc1Cl
C[C@H](CCCO)NC(=O)c1cc(Br)cnc1Cl OCCC[*:1] C[C@H](NC(=O)c1cc(Br)cnc1Cl)[*:1]
CC[NH+](CCC(F)(F)F)Cc1ccc(Cl)o1 FC(F)(F)C[*:1] CC[NH+](Cc1ccc(Cl)o1)C[*:1]
CC[NH+](CCC(F)(F)F)Cc1ccc(Cl)o1 FC(F)(F)[*:1] CC[NH+](CC[*:1])Cc1ccc(Cl)o1
COc1c(Cl)cccc1NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] COc1c(Cl)cccc1NC(=O)[C@H]1CCN(C1=O)[*:1]
Cc1cc(C(=O)Nc2cc(-c3c(F)cccc3F)[nH]n2)on1 Cc1cc(on1)[*:1] O=C(Nc1cc([nH]n1)-c1c(F)cccc1F)[*:1]
COCCOc1ccc(CNC(=O)NC2CC2)cn1 COCC[*:1] O=C(NCc1ccc(nc1)O[*:1])NC1CC1
COCCOc1ccc(CNC(=O)NC2CC2)cn1 COCCO[*:1] O=C(NCc1ccc(nc1)[*:1])NC1CC1
COCCOc1ccc(CNC(=O)NC2CC2)cn1 COC[*:1] O=C(NCc1ccc(nc1)OC[*:1])NC1CC1
COCCOc1ccc(CNC(=O)NC2CC2)cn1 C1CC1[*:1] COCCOc1ccc(cn1)CNC(=O)N[*:1]
CC(C)C[C@H]1COCCN1C(=O)N[C@H](c1nnc2ccccn12)C(C)C CC(C)[*:1] CC(C)[C@H](NC(=O)N1CCOC[C@@H]1C[*:1])c1nnc2ccccn12
CC(C)C[C@H]1COCCN1C(=O)N[C@H](c1nnc2ccccn12)C(C)C CC(C)C[*:1] CC(C)[C@H](NC(=O)N1CCOC[C@@H]1[*:1])c1nnc2ccccn12
CC(C)C[C@H]1COCCN1C(=O)N[C@H](c1nnc2ccccn12)C(C)C CC(C)[*:1] CC(C)C[C@H]1COCCN1C(=O)N[C@H](c1nnc2ccccn12)[*:1]
Cc1cc(C)c(CN(CCC#N)CCC(F)(F)F)cc1C N#CC[*:1] Cc1cc(C)c(cc1C)CN(CCC(F)(F)F)C[*:1]
Cc1cc(C)c(CN(CCC#N)CCC(F)(F)F)cc1C FC(F)(F)CC[*:1] Cc1cc(C)c(cc1C)CN(CCC#N)[*:1]
Cc1cc(C)c(CN(CCC#N)CCC(F)(F)F)cc1C FC(F)(F)C[*:1] Cc1cc(C)c(cc1C)CN(CCC#N)C[*:1]
Cc1cc(C)c(CN(CCC#N)CCC(F)(F)F)cc1C N#CCC[*:1] Cc1cc(C)c(cc1C)CN(CCC(F)(F)F)[*:1]
Cc1cc(C)c(CN(CCC#N)CCC(F)(F)F)cc1C FC(F)(F)[*:1] Cc1cc(C)c(cc1C)CN(CCC#N)CC[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCSCC1 C1CN(CCS1)[*:1] O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)Nc1ccccc1
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCSCC1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1N1CCSCC1)S(=O)(=O)N[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCSCC1 O=[N+]([O-])[*:1] O=S(=O)(Nc1ccccc1)c1ccc(c(c1)[*:1])N1CCSCC1
Cn1ncnc1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 Cn1ncnc1[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)OC(F)(F)F
Cn1ncnc1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] Cn1ncnc1CNC(=O)C(=O)Nc1ccc(cc1)O[*:1]
Cn1ncnc1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 Cn1ncnc1C[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)C(=O)N[*:1]
Cn1ncnc1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] Cn1ncnc1CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)n1cc(C(=O)Nc2cnn(-c3ccccc3F)c2)cn1 Fc1ccccc1[*:1] CC(C)(C)n1cc(cn1)C(=O)Nc1cnn(c1)[*:1]
CC(C)(C)n1cc(C(=O)Nc2cnn(-c3ccccc3F)c2)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)-c1ccccc1F)c1cnn(c1)[*:1]
CC1CC(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)C1 CC1CC(C1)[*:1] O=C1CN(C(=O)CCC(=O)N[*:1])c2ccccc2N1
C[C@@H](C#N)N1CCN(C(=O)N[C@@H]2CCOC2)CC1 C[C@@H](C#N)[*:1] O=C(N[C@@H]1CCOC1)N1CCN(CC1)[*:1]
C[C@@H](C#N)N1CCN(C(=O)N[C@@H]2CCOC2)CC1 C1C[C@H](CO1)[*:1] C[C@@H](C#N)N1CCN(CC1)C(=O)N[*:1]
NC(=O)C1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 FC(F)(F)[*:1] NC(=O)C1CCN(CC1)C(=O)N[C@@H]1CCN(C1)C[*:1]
NC(=O)C1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 FC(F)(F)C[*:1] NC(=O)C1CCN(CC1)C(=O)N[C@@H]1CCN(C1)[*:1]
NC(=O)C1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 NC(=O)[*:1] O=C(N[C@@H]1CCN(C1)CC(F)(F)F)N1CCC(CC1)[*:1]
Cc1c([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)oc2ccccc12 Cn1cc(cn1)[*:1] Cc1c(oc2ccccc12)[C@H](C)[NH2+][C@@H](C)[*:1]
Cn1cc(C(=O)NCCOc2ccccc2Cl)c(-c2ccccc2)n1 Clc1ccccc1[*:1] Cn1cc(C(=O)NCCO[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)NCCOc2ccccc2Cl)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)NCCOc2ccccc2Cl)c(n1)[*:1]
Cn1cc(C(=O)NCCOc2ccccc2Cl)c(-c2ccccc2)n1 Clc1ccccc1O[*:1] Cn1cc(C(=O)NCC[*:1])c(n1)-c1ccccc1
Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)o1 Cc1ccc(C[*:1])o1 C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)o1 Cc1ccc(o1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N(C)C[*:1]
COc1ccc2c(c1)CCC1=C2N=N[C@@H]1c1nc(-c2ccc(OC)c(OC)c2)no1 COc1ccc(cc1OC)[*:1] COc1ccc2C3N=N[C@@H](C=3CCc2c1)c1nc(no1)[*:1]
COC(=O)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)cc1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)NC(=O)[*:1]
COC(=O)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)NC(=O)C[*:1]
COC(=O)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)cc1 COC(=O)[*:1] O=C(Cc1ccccc1)Nc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
O=C(NCc1cn2ccsc2n1)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1cn2ccsc2n1)C(=O)N[*:1]
COc1ccccc1N1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 O=S(=O)(c1ccc(Cl)cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)C1(CCCC1)[*:1]
COc1ccccc1N1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 COc1ccccc1[*:1] O=C(N1CCN(CC1)[*:1])C1(CCCC1)S(=O)(=O)c1ccc(Cl)cc1
COc1ccccc1N1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 Clc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)C1(CCCC1)S(=O)(=O)[*:1]
CN(C(=O)CCc1ccco1)[C@@H]1CCc2ccccc21 c1coc(c1)C[*:1] CN(C(=O)C[*:1])[C@@H]1CCc2ccccc21
CN(C(=O)CCc1ccco1)[C@@H]1CCc2ccccc21 c1coc(c1)[*:1] CN(C(=O)CC[*:1])[C@@H]1CCc2ccccc21
COc1cccc(CCNC(=O)c2cc3c(OC)cccc3n2C)c1 COc1cccc(c1)[*:1] COc1cccc2c1cc(C(=O)NCC[*:1])n2C
Cc1cccc(-c2[nH]ncc2C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 Cc1cccc(c1)[*:1] CN1CCN(CC1)C(=O)CC1CC[NH+](CC1)Cc1cn[nH]c1[*:1]
Cc1cccc(-c2[nH]ncc2C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 CN1CCN(CC1)C(=O)[*:1] Cc1cccc(c1)-c1[nH]ncc1C[NH+]1CCC(CC1)C[*:1]
Cc1sc2nc(CSc3nnc(NC4CC4)s3)[nH]c(=O)c2c1C C1CC1[*:1] Cc1sc2nc(CSc3nnc(N[*:1])s3)[nH]c(=O)c2c1C
Cc1sc2nc(CSc3nnc(NC4CC4)s3)[nH]c(=O)c2c1C C1CC1N[*:1] Cc1sc2nc(CSc3nnc(s3)[*:1])[nH]c(=O)c2c1C
Cc1ccc([C@H](C)NC(=O)N(C2CC2)[C@H](C)C(C)C)cc1[N+](=O)[O-] CC(C)[C@@H](C)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)NC(=O)N(C1CC1)[*:1]
Cc1ccc([C@H](C)NC(=O)N(C2CC2)[C@H](C)C(C)C)cc1[N+](=O)[O-] CC(C)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)NC(=O)N(C1CC1)[C@H](C)[*:1]
Cc1ccc([C@H](C)NC(=O)N(C2CC2)[C@H](C)C(C)C)cc1[N+](=O)[O-] C1CC1[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)NC(=O)N([C@H](C)C(C)C)[*:1]
Cc1ccc([C@H](C)NC(=O)N(C2CC2)[C@H](C)C(C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@H](C)NC(=O)N(C1CC1)[C@H](C)C(C)C
C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1-n1cnnn1 c1nnnn1[*:1] C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1-n1cnnn1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccccc1-n1cnnn1
C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1-n1cnnn1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1ccccc1-n1cnnn1)[*:1]
CC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccc(F)cc2C1 CC(=O)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1COc2ccc(F)cc2C1
COc1cccc(C[C@H](NC(C)=O)C(=O)Nc2cc(F)ccc2Cl)c1 CC(=O)N[*:1] COc1cccc(c1)C[C@H](C(=O)Nc1cc(F)ccc1Cl)[*:1]
COc1cccc(C[C@H](NC(C)=O)C(=O)Nc2cc(F)ccc2Cl)c1 Fc1ccc(Cl)c(c1)[*:1] COc1cccc(c1)C[C@H](NC(C)=O)C(=O)N[*:1]
COc1cccc(C[C@H](NC(C)=O)C(=O)Nc2cc(F)ccc2Cl)c1 COc1cccc(c1)[*:1] CC(=O)N[C@@H](C[*:1])C(=O)Nc1cc(F)ccc1Cl
CC(C)(NC(=O)[C@]1(C)CCCO1)C(C)(C)C(=O)[O-] O=C([O-])[*:1] CC(C)(NC(=O)[C@]1(C)CCCO1)C(C)(C)[*:1]
CC(C)(NC(=O)[C@]1(C)CCCO1)C(C)(C)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] CC(C)(NC(=O)[C@]1(C)CCCO1)[*:1]
CC(C)(NC(=O)[C@]1(C)CCCO1)C(C)(C)C(=O)[O-] C[C@@]1(CCCO1)[*:1] CC(C)(NC(=O)[*:1])C(C)(C)C(=O)[O-]
Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1 Fc1ccc(cc1)[*:1] Clc1ccc2O[C@H](C3=C(N=C4N=CNN4[C@H]3c3cccnc3)c2c1)[*:1]
Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1 c1cncc(c1)[*:1] Fc1ccc(cc1)[C@@H]1Oc2ccc(Cl)cc2C2N=C3N=CNN3[C@@H](C=21)[*:1]
CCn1c(SCC(=O)Nc2cc(C)nn2-c2ccccc2)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cc(C)nn1-c1ccccc1
CCn1c(SCC(=O)Nc2cc(C)nn2-c2ccccc2)nnc1-c1cccs1 c1ccc(cc1)[*:1] CCn1c(nnc1-c1cccs1)SCC(=O)Nc1cc(C)nn1[*:1]
CC(C)[NH2+]CCS(=O)(=O)NCC1C(C)(C)C1(C)C CC(C)[*:1] CC1(C)C(CNS(=O)(=O)CC[NH2+][*:1])C1(C)C
CC(C)Cn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O Fc1ccc(cc1)[*:1] CC(C)Cn1c(nc2ccccc2c1=O)S[C@H](C)C(=O)N[C@H](C)[*:1]
CC(C)Cn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O C[C@H](c1ccc(F)cc1)[*:1] CC(C)Cn1c(nc2ccccc2c1=O)S[C@H](C)C(=O)N[*:1]
CC(C)Cn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O CC(C)C[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)N[C@H](C)c1ccc(F)cc1
CC(C)Cn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O CC(C)[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1C[*:1])C(=O)N[C@H](C)c1ccc(F)cc1
Cc1ccc2cnn(CCC(=O)N[C@H](C)c3ccccc3)c2c1 c1ccc(cc1)[*:1] Cc1ccc2cnn(CCC(=O)N[C@H](C)[*:1])c2c1
COCC[NH2+]Cc1ncoc1-c1cc(C)nn1C COC[*:1] Cc1cc(-c2ocnc2C[NH2+]C[*:1])n(C)n1
COCC[NH2+]Cc1ncoc1-c1cc(C)nn1C COCC[*:1] Cc1cc(-c2ocnc2C[NH2+][*:1])n(C)n1
COc1ccc(CNc2ncnc(Nc3ccccc3OC)c2N)cc1 COc1ccccc1[*:1] COc1ccc(cc1)CNc1ncnc(N[*:1])c1N
COc1ccc(CNc2ncnc(Nc3ccccc3OC)c2N)cc1 COc1ccc(cc1)[*:1] COc1ccccc1Nc1ncnc(NC[*:1])c1N
O=C(COc1cc(Cl)ccc1Cl)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C(COc1cc(Cl)ccc1Cl)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CN1CC[NH+](Cc2ccc(C(N)=S)cc2)C(C)(C)C1=O NC(=S)[*:1] CN1CC[NH+](Cc2ccc(cc2)[*:1])C(C)(C)C1=O
Fc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Fc1ccc(cc1)[C@@H]1c2cccn2CCN1C(=S)N[*:1]
Fc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Fc1ccc(cc1)NC(=S)N1CCn2cccc2[C@@H]1[*:1]
C=CCCCN(C)C(=O)c1ccc2ncccc2c1 C=CCC[*:1] CN(C[*:1])C(=O)c1ccc2ncccc2c1
C=CCCCN(C)C(=O)c1ccc2ncccc2c1 C=CC[*:1] CN(CC[*:1])C(=O)c1ccc2ncccc2c1
C=CCCCN(C)C(=O)c1ccc2ncccc2c1 C=CCCC[*:1] CN(C(=O)c1ccc2ncccc2c1)[*:1]
CCOC(=O)c1c(NC(=O)N2CC[C@H](C)[C@H](O)C2)sc(C)c1CC CCOC(=O)[*:1] CCc1c(C)sc(NC(=O)N2CC[C@H](C)[C@H](O)C2)c1[*:1]
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccccc1[*:1]
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] N#C[C@@H]([C@H]1CCCN1Cc1ccccc1[N+](=O)[O-])[*:1]
COCC[C@H](N[C@@H](C)c1scnc1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCC[C@H](N[C@@H](C)c1scnc1C)[*:1]
COCC[C@H](N[C@@H](C)c1scnc1C)c1ccc(Cl)cc1 COCC[*:1] Cc1ncsc1[C@H](C)N[C@H](c1ccc(Cl)cc1)[*:1]
COCC[C@H](N[C@@H](C)c1scnc1C)c1ccc(Cl)cc1 Cc1ncsc1[*:1] COCC[C@H](N[C@@H](C)[*:1])c1ccc(Cl)cc1
COCC[C@H](N[C@@H](C)c1scnc1C)c1ccc(Cl)cc1 COC[*:1] Cc1ncsc1[C@H](C)N[C@@H](C[*:1])c1ccc(Cl)cc1
O=C(NCc1ccc2c(c1)OCO2)c1cc2sccc2n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)c1cc2sccc2n1C[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1cc2sccc2n1Cc1ccc(F)cc1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1cc2sccc2n1Cc1ccc(F)cc1
O=C(NCc1ccc2c(c1)OCO2)c1cc2sccc2n1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(NCc1ccc2OCOc2c1)c1cc2sccc2n1[*:1]
CCOc1cc(NC(=O)N[C@H]2CCC[C@@H]([S@@](=O)CC)C2)ccc1C CCO[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)Nc1ccc(C)c(c1)[*:1]
O=c1[nH]c(NCc2ccccc2)nc2nccc(-c3ccccc3)c12 c1ccc(cc1)[*:1] O=c1[nH]c(nc2nccc(-c3ccccc3)c12)NC[*:1]
O=c1[nH]c(NCc2ccccc2)nc2nccc(-c3ccccc3)c12 c1ccc(cc1)C[*:1] O=c1[nH]c(nc2nccc(-c3ccccc3)c12)N[*:1]
O=c1[nH]c(NCc2ccccc2)nc2nccc(-c3ccccc3)c12 c1ccc(cc1)CN[*:1] O=c1[nH]c(nc2nccc(-c3ccccc3)c12)[*:1]
O=c1[nH]c(NCc2ccccc2)nc2nccc(-c3ccccc3)c12 c1ccc(cc1)[*:1] O=c1[nH]c(nc2nccc(c12)[*:1])NCc1ccccc1
CC[C@@H](C)[C@H](C[NH2+]C(C)C)c1cc(C)ccc1OC CC[C@@H](C)[*:1] COc1ccc(C)cc1[C@@H](C[NH2+]C(C)C)[*:1]
CC[C@@H](C)[C@H](C[NH2+]C(C)C)c1cc(C)ccc1OC CC(C)[*:1] CC[C@@H](C)[C@H](C[NH2+][*:1])c1cc(C)ccc1OC
CCOc1ccc(NC(=O)N(C)Cc2ccccc2)cc1Cl CCO[*:1] CN(Cc1ccccc1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCOc1ccc(NC(=O)N(C)Cc2ccccc2)cc1Cl c1ccc(cc1)[*:1] CCOc1ccc(cc1Cl)NC(=O)N(C)C[*:1]
CCOc1ccc(NC(=O)N(C)Cc2ccccc2)cc1Cl c1ccc(cc1)C[*:1] CCOc1ccc(cc1Cl)NC(=O)N(C)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](n2cncn2)C1 c1ncn(n1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](n2cncn2)C1 CS(=O)(=O)[*:1] c1ncn(n1)[C@H]1CCC[C@H](C1)[*:1]
C[NH+](C)Cc1cccc(C(=O)NCCc2ccc(S(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] C[NH+](C)Cc1cccc(c1)C(=O)NCCc1ccc(cc1)[*:1]
O=C(Nc1cccnc1)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1cccnc1)Nc1ccn(C[*:1])n1
O=C(Nc1cccnc1)Nc1ccn(Cc2ccccc2)n1 c1cncc(c1)[*:1] O=C(Nc1ccn(Cc2ccccc2)n1)N[*:1]
O=C(Nc1cccnc1)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(Nc1cccnc1)Nc1ccn(n1)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCc4ccccc4)[C@H]3c3ccc(F)cc3)ccc2O1 Fc1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCc4ccccc4)[C@H]3c3ccc(F)cc3)ccc2O1 c1ccc(cc1)CC[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(F)cc1)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCc4ccccc4)[C@H]3c3ccc(F)cc3)ccc2O1 c1ccc(cc1)C[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(F)cc1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCc4ccccc4)[C@H]3c3ccc(F)cc3)ccc2O1 c1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccc(F)cc1
CCC[C@@](C)(NC(=O)N1CCN(C)C(=O)C1(C)C)C(=O)[O-] CCC[*:1] CN1CCN(C(=O)N[C@](C)(C(=O)[O-])[*:1])C(C)(C)C1=O
CCC[C@@](C)(NC(=O)N1CCN(C)C(=O)C1(C)C)C(=O)[O-] O=C([O-])[*:1] CCC[C@@](C)(NC(=O)N1CCN(C)C(=O)C1(C)C)[*:1]
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 CC(=O)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(cc1)[*:1]
Cc1ccc2nc(N3CCC[C@H](C(=O)N4CCN(C(=O)[C@@H]5CCCO5)CC4)C3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] O=C([C@H]1CCCN(C1)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
CCOc1ccc(S(=O)(=O)NC[C@H](C)C#N)cc1 CCO[*:1] C[C@H](C#N)CNS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(C)c(S(=O)(=O)N(CCO)CCO)cc1C OCC[*:1] Cc1cc(C)c(cc1C)S(=O)(=O)N(CCO)[*:1]
CSCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 CSCC(=O)N[*:1] CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](C1)[*:1]
CSCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2[*:1]
CSCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 CSC[*:1] CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](C1)NC(=O)[*:1]
N#Cc1cn(C(=O)Nc2ccc(Cl)cc2)nc1C(F)(F)F Clc1ccc(cc1)[*:1] N#Cc1cn(nc1C(F)(F)F)C(=O)N[*:1]
N#Cc1cn(C(=O)Nc2ccc(Cl)cc2)nc1C(F)(F)F FC(F)(F)[*:1] N#Cc1cn(nc1[*:1])C(=O)Nc1ccc(Cl)cc1
CC[C@H](C)[C@@H]1CN(C2C(C)(C)C2(C)C)[C@H](CC)C[NH2+]1 CC[C@H](C)[*:1] CC[C@@H]1C[NH2+][C@@H](CN1C1C(C)(C)C1(C)C)[*:1]
CCCc1ccc(NC(=O)c2ccco2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccco1
CCCc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CCCc1ccc(cc1)NC(=O)[*:1]
C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ncn[nH]1 c1n[nH]c(n1)[*:1] C[C@@H](C[C@H]1CCCCC[NH2+]1)NC[*:1]
COc1ccc(CN(C)C(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CN(C)C(=O)[C@H]1C[C@@H]2C=C[C@H]1C2
Cc1ccc(-n2cnnc2SCC(=O)O[C@H](C)C2CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)-n1cnnc1SCC(=O)O[C@H](C)[*:1]
C[C@@H](SCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](SCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)[*:1]
C[C@@H](SCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] C[C@@H](SCC(=O)N1c2ccccc2SC[C@@H]1[*:1])C(=O)[O-]
CCc1ccccc1NCC(=O)Nc1cc(C)no1 Cc1cc(on1)[*:1] CCc1ccccc1NCC(=O)N[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)c1 c1csc(c1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nc(n[nH]1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)c1 CC(=O)N[*:1] O=C(CSc1nc(n[nH]1)-c1cccs1)Nc1cccc(c1)[*:1]
COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1cc(Cl)c(OC)cc1OC COC(=O)[*:1] COc1cc(OC)c(cc1Cl)NS(=O)(=O)c1c(sc2cccc(F)c12)[*:1]
O=C(NC[C@@H](O)c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(NC[C@@H](O)c1ccc(F)cc1)[*:1]
O=C(Cc1cccc(F)c1)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O C1CC1C[*:1] O=C(Cc1cccc(F)c1)Nc1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C(Cc1cccc(F)c1)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O Fc1cccc(c1)C[*:1] O=C1c2ccc(cc2C(=O)N1CC1CC1)NC(=O)[*:1]
O=C(Cc1cccc(F)c1)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O Fc1cccc(c1)[*:1] O=C(C[*:1])Nc1ccc2C(=O)N(CC3CC3)C(=O)c2c1
O=C(Cc1cccc(F)c1)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O C1CC1[*:1] O=C(Cc1cccc(F)c1)Nc1ccc2C(=O)N(C[*:1])C(=O)c2c1
CCc1nn(C)cc1NC(=O)NC[C@](C)(O)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] CCc1nn(C)cc1NC(=O)NC[C@](C)(O)[*:1]
C[C@H](CC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1 c1cc(ccn1)[*:1] C[C@H](CC(=O)Nc1nc(cs1)[*:1])c1ccccc1
C[C@H](CC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)Nc1nc(cs1)-c1ccncc1)[*:1]
Cc1cc(C)cc(CS[C@@H](C)[C@H](C)C(=O)NN)c1 NNC(=O)[*:1] Cc1cc(C)cc(c1)CS[C@@H](C)[C@H](C)[*:1]
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(Sc3ccccn3)c2)CC1 c1ccc(nc1)[*:1] CS(=O)(=O)N1CCN(CC1)c1ccc(c(c1)S[*:1])[N+](=O)[O-]
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(Sc3ccccn3)c2)CC1 O=[N+]([O-])[*:1] CS(=O)(=O)N1CCN(CC1)c1ccc(c(c1)Sc1ccccn1)[*:1]
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(Sc3ccccn3)c2)CC1 c1ccc(nc1)S[*:1] CS(=O)(=O)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
O=C(Cn1cnc(-c2ccccc2)cc1=O)Nc1nc2ccccc2s1 c1ccc(cc1)[*:1] O=C(Cn1cnc(cc1=O)[*:1])Nc1nc2ccccc2s1
CCn1cc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 CCn1cc(cn1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
CCn1cc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 O=[N+]([O-])c1ccc(cc1)[*:1] CCn1cc(cn1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CCn1cc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 O=[N+]([O-])[*:1] CCn1cc(cn1)NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC(C)NC(=O)COc1c(C(=O)[O-])ccc2ccccc12 CC(C)NC(=O)C[*:1] O=C([O-])c1ccc2ccccc2c1O[*:1]
CC(C)NC(=O)COc1c(C(=O)[O-])ccc2ccccc12 O=C([O-])[*:1] CC(C)NC(=O)COc1c(ccc2ccccc12)[*:1]
CC(C)NC(=O)COc1c(C(=O)[O-])ccc2ccccc12 CC(C)[*:1] O=C(COc1c(ccc2ccccc12)C(=O)[O-])N[*:1]
CC(C)NC(=O)COc1c(C(=O)[O-])ccc2ccccc12 CC(C)NC(=O)[*:1] O=C([O-])c1ccc2ccccc2c1OC[*:1]
CCn1c(SCC(=O)N/N=C/c2ccccc2Br)nc2ccccc21 Brc1ccccc1[*:1] CCn1c(nc2ccccc21)SCC(=O)NN=C[*:1]
COCC[C@H](C)C(=O)NCC(C)(C)c1cccc(Cl)c1 COC[*:1] C[C@@H](C[*:1])C(=O)NCC(C)(C)c1cccc(Cl)c1
COCC[C@H](C)C(=O)NCC(C)(C)c1cccc(Cl)c1 COCC[*:1] C[C@H](C(=O)NCC(C)(C)c1cccc(Cl)c1)[*:1]
COCC[C@H](C)C(=O)NCC(C)(C)c1cccc(Cl)c1 COCC[C@H](C)[*:1] CC(C)(CNC(=O)[*:1])c1cccc(Cl)c1
O=C(Nc1ccnc(Cl)c1)C(=O)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccnc(Cl)c1)C(=O)NC(c1ccccc1)[*:1]
O=C(Nc1ccnc(Cl)c1)C(=O)NC(c1ccccc1)c1ccccc1 Clc1cc(ccn1)[*:1] O=C(NC(c1ccccc1)c1ccccc1)C(=O)N[*:1]
CCCC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O CCCC[*:1] C[C@@H]([NH2+][C@@H]1CCCN(C1=O)c1ccn(C)n1)[*:1]
CCCC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O CCCC[C@@H](C)[*:1] Cn1ccc(n1)N1CCC[C@@H]([NH2+][*:1])C1=O
CCCC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O CCC[*:1] C[C@H](C[*:1])[NH2+][C@@H]1CCCN(C1=O)c1ccn(C)n1
CCCC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O Cn1ccc(n1)[*:1] CCCC[C@@H](C)[NH2+][C@@H]1CCCN(C1=O)[*:1]
CCC[C@@H](C)C(=O)OCC(=O)Nc1nc2ccccc2s1 CCC[C@@H](C)[*:1] O=C(COC(=O)[*:1])Nc1nc2ccccc2s1
CCC[C@@H](C)C(=O)OCC(=O)Nc1nc2ccccc2s1 CCC[*:1] C[C@@H](C(=O)OCC(=O)Nc1nc2ccccc2s1)[*:1]
CC[C@@H](C)NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 CC[C@@H](C)[*:1] CN1C(=O)CO[C@H](C(=O)N[*:1])[C@@H]1c1ccccc1
CC[C@@H](C)NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1[*:1]
CC[C@@H](C)NC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 CC[C@@H](C)NC(=O)[*:1] CN1C(=O)CO[C@@H]([C@@H]1c1ccccc1)[*:1]
CC(C)c1ccc(N2C(=O)/C(=C\c3cc(Br)cs3)NC2=S)cc1 Brc1csc(c1)[*:1] CC(C)c1ccc(cc1)N1C(=O)C(=C[*:1])NC1=S
CC(C)c1ccc(N2C(=O)/C(=C\c3cc(Br)cs3)NC2=S)cc1 CC(C)[*:1] O=C1/C(=C\c2cc(Br)cs2)NC(=S)N1c1ccc(cc1)[*:1]
CCCOc1ccc(CNC(=O)N2CCN(Cc3ccncc3)CC2)cc1 CCC[*:1] O=C(NCc1ccc(cc1)O[*:1])N1CCN(CC1)Cc1ccncc1
CCCOc1ccc(CNC(=O)N2CCN(Cc3ccncc3)CC2)cc1 CCCO[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCN(CC1)Cc1ccncc1
CCCOc1ccc(CNC(=O)N2CCN(Cc3ccncc3)CC2)cc1 c1cc(ccn1)[*:1] CCCOc1ccc(cc1)CNC(=O)N1CCN(CC1)C[*:1]
CCCOc1ccc(CNC(=O)N2CCN(Cc3ccncc3)CC2)cc1 c1cc(ccn1)C[*:1] CCCOc1ccc(cc1)CNC(=O)N1CCN(CC1)[*:1]
COC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(OC3CCOCC3)cc2)C1 C1CC(CCO1)[*:1] COC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)c1ccc(cc1)O[*:1]
COC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(OC3CCOCC3)cc2)C1 C1CC(CCO1)O[*:1] COC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)c1ccc(cc1)[*:1]
Cc1cncc(NC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 C1CN(CCO1)C[*:1] Cc1cncc(c1)NC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1cncc(NC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)N[C@@H](CN1CCOCC1)[*:1]
Cc1cncc(NC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 Cc1cncc(c1)[*:1] O=C(N[C@@H](CN1CCOCC1)c1ccccc1)N[*:1]
Cc1cncc(NC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 C1CN(CCO1)[*:1] Cc1cncc(c1)NC(=O)N[C@@H](C[*:1])c1ccccc1
CC[C@@H](CC1CCCC1)C(=O)NO[C@@H]1CCCCO1 C1CCC(C1)C[*:1] CC[C@@H](C(=O)NO[C@@H]1CCCCO1)[*:1]
CC[C@@H](CC1CCCC1)C(=O)NO[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] CC[C@@H](CC1CCCC1)C(=O)NO[*:1]
CC[C@@H](CC1CCCC1)C(=O)NO[C@@H]1CCCCO1 C1CCC(C1)[*:1] CC[C@@H](C[*:1])C(=O)NO[C@@H]1CCCCO1
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1F)n2Cc1ccccc1OC CCC[*:1] COc1ccccc1Cn1c(nc2c1c(=O)[nH]c(=O)n2C[*:1])-c1ccccc1F
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1F)n2Cc1ccccc1OC CCCC[*:1] COc1ccccc1Cn1c(nc2c1c(=O)[nH]c(=O)n2[*:1])-c1ccccc1F
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1F)n2Cc1ccccc1OC COc1ccccc1[*:1] CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1F)n2C[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1F)n2Cc1ccccc1OC Fc1ccccc1[*:1] CCCCn1c(=O)[nH]c(=O)c2c1nc(n2Cc1ccccc1OC)[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1F)n2Cc1ccccc1OC COc1ccccc1C[*:1] CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1F)n2[*:1]
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 C1C[C@H](CO1)[*:1] O=C(Nc1ccc(cc1)O[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)C1CC1
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 C1C[C@H](CO1)O[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)C1CC1
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] O=C(Nc1ccc(cc1)O[C@@H]1CCOC1)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CSC[C@H](C)N(C)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 CSC[*:1] C[C@H](N(C)C(=O)N[C@@H](c1ccc2OCCOc2c1)C1CC1)[*:1]
CSC[C@H](C)N(C)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] CSC[C@H](C)N(C)C(=O)N[C@@H](c1ccc2OCCOc2c1)[*:1]
CSc1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1]
CSc1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 CSc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccccc1
C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)NC1CCCC1 O=C(N[*:1])c1ccco1 C[C@@H](c1nc2ccccc2n1CC(=O)NC1CCCC1)[*:1]
C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)NC1CCCC1 c1coc(c1)[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)NC1CCCC1
C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)NC1CCCC1 O=C(C[*:1])NC1CCCC1 C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1[*:1]
C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)N[*:1]
C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1C[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(-c2ncon2)c1 Oc1cccc(c1)[*:1] C[C@@H](N(C)C(=O)Nc1cccc(c1)-c1ncon1)[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(-c2ncon2)c1 c1nc(no1)[*:1] C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(c1)[*:1]
O=C(CC1CCCC1)NC1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1 C1CCC(C1)C[*:1] O=C(Nc1ccc(F)cc1Cl)N1CCC(CC1)NC(=O)[*:1]
O=C(CC1CCCC1)NC1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1 C1CCC(C1)[*:1] O=C(C[*:1])NC1CCN(CC1)C(=O)Nc1ccc(F)cc1Cl
O=C(CC1CCCC1)NC1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1 Fc1ccc(c(Cl)c1)[*:1] O=C(CC1CCCC1)NC1CCN(CC1)C(=O)N[*:1]
CCCNc1cccc(C(=O)N[C@@H]2CCCC2(C)C)n1 CCC[*:1] CC1(C)CCC[C@H]1NC(=O)c1cccc(n1)N[*:1]
CCCNc1cccc(C(=O)N[C@@H]2CCCC2(C)C)n1 CCCN[*:1] CC1(C)CCC[C@H]1NC(=O)c1cccc(n1)[*:1]
O=C(NCC(O)(c1cccs1)c1cccs1)c1ccc2nsnc2c1 c1csc(c1)[*:1] O=C(NCC(O)(c1cccs1)[*:1])c1ccc2nsnc2c1
COC(=O)c1c(C)c(C(=O)CN(C)C(=O)c2ccco2)c(C)n1C c1coc(c1)[*:1] COC(=O)c1c(C)c(C(=O)CN(C)C(=O)[*:1])c(C)n1C
COC(=O)c1c(C)c(C(=O)CN(C)C(=O)c2ccco2)c(C)n1C COC(=O)[*:1] Cc1c(C(=O)CN(C)C(=O)c2ccco2)c(C)n(C)c1[*:1]
CC[C@H](C)n1ncc(C[NH2+]C)c1C(F)F FC(F)[*:1] CC[C@H](C)n1ncc(C[NH2+]C)c1[*:1]
CC[C@H](C)n1ncc(C[NH2+]C)c1C(F)F CC[C@H](C)[*:1] C[NH2+]Cc1cnn(c1C(F)F)[*:1]
O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1SC(F)F FC(F)[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1S[*:1]
O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1SC(F)F FC(F)S[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1[*:1]
CCc1ccc(CNC(=O)COc2nc(C)nc3onc(-c4ccc(C)c(C)c4)c23)cc1 CCc1ccc(cc1)[*:1] Cc1nc(OCC(=O)NC[*:1])c2c(noc2n1)-c1ccc(C)c(C)c1
CCc1ccc(CNC(=O)COc2nc(C)nc3onc(-c4ccc(C)c(C)c4)c23)cc1 Cc1ccc(cc1C)[*:1] CCc1ccc(cc1)CNC(=O)COc1nc(C)nc2onc(c12)[*:1]
CCc1ccc(CNC(=O)COc2nc(C)nc3onc(-c4ccc(C)c(C)c4)c23)cc1 CCc1ccc(cc1)C[*:1] Cc1nc(OCC(=O)N[*:1])c2c(noc2n1)-c1ccc(C)c(C)c1
Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H](COc2ccccc2F)C1 Fc1ccccc1OC[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H](C1)[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H](COc2ccccc2F)C1 Fc1ccccc1O[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@@H](C1)C[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H](COc2ccccc2F)C1 Fc1ccccc1[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H](CO[*:1])C1
Cc1occc1C(=O)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 Cc1occc1[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
Cc1occc1C(=O)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] Cc1occc1C(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)[*:1]
Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(Cl)ccc1F ClCC[*:1] Cc1nn(c(C)c1C(=O)Nc1cc(Cl)ccc1F)[*:1]
O=C(COC(=O)CSc1ccccc1F)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COC(=O)CSc1ccccc1F)N[*:1]
O=C(COC(=O)CSc1ccccc1F)NC1CCCCC1 Fc1ccccc1[*:1] O=C(COC(=O)CS[*:1])NC1CCCCC1
COc1c(C(=O)NN)ccc(C)c1C NNC(=O)[*:1] COc1c(ccc(C)c1C)[*:1]
COCc1nc(C[NH+](C)Cc2ccc(C)o2)cs1 COC[*:1] Cc1ccc(C[NH+](C)Cc2csc(n2)[*:1])o1
COCc1nc(C[NH+](C)Cc2ccc(C)o2)cs1 Cc1ccc(o1)[*:1] COCc1nc(cs1)C[NH+](C)C[*:1]
COC(=O)c1ccccc1NS(=O)(=O)c1cc(N2C(=O)CCC2=O)ccc1OC O=C1CCC(=O)N1[*:1] COC(=O)c1ccccc1NS(=O)(=O)c1cc(ccc1OC)[*:1]
COC(=O)c1ccccc1NS(=O)(=O)c1cc(N2C(=O)CCC2=O)ccc1OC COC(=O)[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccccc1[*:1])N1C(=O)CCC1=O
Nc1nc(COC(=O)c2cccc(F)c2)nc2ccccc12 Fc1cccc(c1)[*:1] Nc1nc(COC(=O)[*:1])nc2ccccc12
CCc1ncsc1NC(=O)N1CCC(c2nncn2C)CC1 CCc1ncsc1[*:1] Cn1cnnc1C1CCN(CC1)C(=O)N[*:1]
CCc1ncsc1NC(=O)N1CCC(c2nncn2C)CC1 Cn1cnnc1[*:1] CCc1ncsc1NC(=O)N1CCC(CC1)[*:1]
CN(C)c1cc(O[C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)ncn1 CN(C)[*:1] O=S(=O)(c1ccccc1)N1CC[C@H](C1)Oc1cc(ncn1)[*:1]
CN(C)c1cc(O[C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)ncn1 c1ccc(cc1)[*:1] CN(C)c1cc(ncn1)O[C@@H]1CCN(C1)S(=O)(=O)[*:1]
Cc1cc(Br)ccc1NC(=O)Cn1c(C)nc2c(c1=O)CCCC2 Cc1cc(Br)ccc1[*:1] Cc1nc2CCCCc2c(=O)n1CC(=O)N[*:1]
Cc1cc(C)n(CCCNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)n1 Cc1cc(C)n(CC[*:1])n1 O=c1c(Cl)c(Cl)cnn1-c1ccc(cc1)S(=O)(=O)NC[*:1]
Cc1cc(C)n(CCCNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)n1 O=c1c(Cl)c(Cl)cnn1[*:1] Cc1cc(C)n(CCCNS(=O)(=O)c2ccc(cc2)[*:1])n1
Cc1cc(C)n(CCCNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)n1 Cc1cc(C)n(C[*:1])n1 O=c1c(Cl)c(Cl)cnn1-c1ccc(cc1)S(=O)(=O)NCC[*:1]
Cc1cc(C)n(CCCNS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)n1 Cc1cc(C)n(n1)[*:1] O=c1c(Cl)c(Cl)cnn1-c1ccc(cc1)S(=O)(=O)NCCC[*:1]
Cc1cc(CN2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)on1 Fc1ccc(cc1)[*:1] Cc1cc(CN2CCN(CC2)C[C@@H](O)[*:1])on1
Cc1cc(CN2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)on1 Cc1cc(on1)[*:1] O[C@H](CN1CCN(CC1)C[*:1])c1ccc(F)cc1
Cc1cc(CN2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)on1 Cc1cc(C[*:1])on1 O[C@H](CN1CCN(CC1)[*:1])c1ccc(F)cc1
C=C(C)COc1cccc(C(=O)NCc2cn3cc(C)ccc3n2)c1 C=C(C)CO[*:1] Cc1ccc2nc(cn2c1)CNC(=O)c1cccc(c1)[*:1]
C=C(C)COc1cccc(C(=O)NCc2cn3cc(C)ccc3n2)c1 C=C(C)[*:1] Cc1ccc2nc(cn2c1)CNC(=O)c1cccc(c1)OC[*:1]
C=C(C)COc1cccc(C(=O)NCc2cn3cc(C)ccc3n2)c1 C=C(C)C[*:1] Cc1ccc2nc(cn2c1)CNC(=O)c1cccc(c1)O[*:1]
O=C(Nn1cnnc1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] O=C(Nn1cnnc1)[C@@H]1C[C@H]1c1ccccc1[*:1]
O=C(Nn1cnnc1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)[*:1] O=C(Nn1cnnc1)[C@@H]1C[C@H]1c1ccccc1O[*:1]
CNC(=O)c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CNC(=O)c1cccc(c1)NC(=O)CSC[*:1]
CNC(=O)c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 CNC(=O)[*:1] O=C(CSCc1cccc(Cl)c1)Nc1cccc(c1)[*:1]
Cc1ccc([C@H]2[C@@H]3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1[C@@H]2C(=O)C[C@@H](CC2=Nc2ncnn21)[*:1]
Cc1ccc([C@H]2[C@@H]3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](CC2=Nc3ncnn3[C@H]([C@H]12)[*:1])c1ccccc1
COc1ccc(CCC(=O)N[C@H](C)C(=O)N2CCC3(CC2)NCCc2[nH+]c[nH]c23)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)CC[*:1])C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12
COc1ccc(CCC(=O)N[C@H](C)C(=O)N2CCC3(CC2)NCCc2[nH+]c[nH]c23)cc1 COc1ccc(cc1)CC[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12
COc1ccc(CCC(=O)N[C@H](C)C(=O)N2CCC3(CC2)NCCc2[nH+]c[nH]c23)cc1 COc1ccc(cc1)C[*:1] C[C@@H](NC(=O)C[*:1])C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12
CC[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CC[C@H](Sc1cc(ncn1)-c1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 c1ccc(cc1)[*:1] CC[C@H](Sc1cc(ncn1)[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
CNC(=O)COc1ccccc1CN(C)[C@@H]1CCCc2nc(C)sc21 CNC(=O)C[*:1] Cc1nc2CCC[C@H](c2s1)N(C)Cc1ccccc1O[*:1]
CNC(=O)COc1ccccc1CN(C)[C@@H]1CCCc2nc(C)sc21 CNC(=O)CO[*:1] Cc1nc2CCC[C@H](c2s1)N(C)Cc1ccccc1[*:1]
CNC(=O)COc1ccccc1CN(C)[C@@H]1CCCc2nc(C)sc21 CNC(=O)[*:1] Cc1nc2CCC[C@H](c2s1)N(C)Cc1ccccc1OC[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@H](Cc1ccccc1)c1ccccc1)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@H](c1ccccc1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@H](Cc1ccccc1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@H](C[*:1])c1ccccc1
CCc1nn2c(C)c(CCC(=O)[O-])c(C)nc2c1-c1ccccc1 O=C([O-])[*:1] CCc1nn2c(C)c(CC[*:1])c(C)nc2c1-c1ccccc1
CCc1nn2c(C)c(CCC(=O)[O-])c(C)nc2c1-c1ccccc1 c1ccc(cc1)[*:1] CCc1nn2c(C)c(CCC(=O)[O-])c(C)nc2c1[*:1]
CCc1nn2c(C)c(CCC(=O)[O-])c(C)nc2c1-c1ccccc1 O=C([O-])CC[*:1] CCc1nn2c(C)c(c(C)nc2c1-c1ccccc1)[*:1]
CCc1nn2c(C)c(CCC(=O)[O-])c(C)nc2c1-c1ccccc1 O=C([O-])C[*:1] CCc1nn2c(C)c(C[*:1])c(C)nc2c1-c1ccccc1
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)/N=C1/NCCS1 CC(C)C[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)/N=C1/NCCS1)[*:1]
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)/N=C1/NCCS1 Cc1ccccc1[*:1] CC(C)C[C@@H](NC(=O)[*:1])C(=O)/N=C1/NCCS1
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)/N=C1/NCCS1 CC(C)[*:1] Cc1ccccc1C(=O)N[C@H](C[*:1])C(=O)/N=C1/NCCS1
O=C(NCc1ccccn1)C(=O)Nc1ccc2cc[nH]c2c1 c1ccc(nc1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2cc[nH]c2c1
O=C(NCc1ccccn1)C(=O)Nc1ccc2cc[nH]c2c1 c1ccc(C[*:1])nc1 O=C(Nc1ccc2cc[nH]c2c1)C(=O)N[*:1]
Cc1ccc(CC(=O)NCC[S@](=O)c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])NCC[S@](=O)c1ccc(Cl)cc1
Cc1ccc(CC(=O)NCC[S@](=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)CC(=O)NCC[S@](=O)[*:1]
CNC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C CC(C)[*:1] CNC(=O)[C@H](NC(=O)c1ccccc1Cl)[*:1]
CNC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C CNC(=O)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1Cl)[*:1]
CN(C)c1cccc(CNC(=O)C(=O)Nc2ccn(C)n2)c1 Cn1ccc(n1)[*:1] CN(C)c1cccc(c1)CNC(=O)C(=O)N[*:1]
CN(C)c1cccc(CNC(=O)C(=O)Nc2ccn(C)n2)c1 CN(C)[*:1] Cn1ccc(n1)NC(=O)C(=O)NCc1cccc(c1)[*:1]
CCn1cc(C(=O)Nc2cccc(OC)c2)c(=O)c2ccc(Cl)c(C)c21 COc1cccc(c1)[*:1] CCn1cc(C(=O)N[*:1])c(=O)c2ccc(Cl)c(C)c21
Cc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Cl)cc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN1C(=O)[C@@](O)(CC(=O)[*:1])c2cc(Cl)ccc21
C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@@H]1CCO[C@@H]1C C[C@H]1OCC[C@H]1[*:1] C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)[*:1]
NC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)sc2c1CCC2 Fc1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)CSc2nnc(c3ccccc23)[*:1])sc2CCCc21
NC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)sc2c1CCC2 NC(=O)[*:1] O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1sc2CCCc2c1[*:1]
NC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)sc2c1CCC2 NC(=O)c1c(sc2CCCc21)[*:1] O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N[*:1]
CC(C)(C[N+](C)(C)C)[C@@H]1O[C@H]2CCCC[C@@H]2C2=C1CCCC2 C[N+](C)(C)C[*:1] CC(C)([C@@H]1O[C@H]2CCCC[C@@H]2C2CCCCC=21)[*:1]
CC(C)(C[N+](C)(C)C)[C@@H]1O[C@H]2CCCC[C@@H]2C2=C1CCCC2 C[N+](C)(C)[*:1] CC(C)(C[*:1])[C@@H]1O[C@H]2CCCC[C@@H]2C2CCCCC=21
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc2c(C)n[nH]c2c1 Clc1ccc(cc1)[*:1] Cc1nn(cc1C(=O)Nc1ccc2c(C)n[nH]c2c1)[*:1]
CC(C)c1ocnc1C[S@@](=O)CC(=O)N[C@H](C)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)c1ocnc1C[S@@](=O)CC(=O)N[C@H](C)[*:1]
CC(C)c1ocnc1C[S@@](=O)CC(=O)N[C@H](C)c1ccccc1Cl CC(C)[*:1] C[C@@H](NC(=O)C[S@](=O)Cc1ncoc1[*:1])c1ccccc1Cl
C=C[C@H](C)NC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)O[*:1] C=C[C@H](C)NC(=O)Nc1ccc(cc1)C[*:1]
C=C[C@H](C)NC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)[*:1] C=C[C@H](C)NC(=O)Nc1ccc(cc1)CO[*:1]
CCOC(=O)N1CCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)CC1 CS(=O)(=O)[*:1] CCOC(=O)N1CCN(CC1)Cc1cnc(n1CC1CCCCC1)[*:1]
CCOC(=O)N1CCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)CC1 C1CCC(CC1)[*:1] CCOC(=O)N1CCN(CC1)Cc1cnc(n1C[*:1])S(C)(=O)=O
CCOC(=O)N1CCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] CCOC(=O)N1CCN(CC1)Cc1cnc(n1[*:1])S(C)(=O)=O
CCOc1cc(/C=[NH+]/CCN2Cc3ccccc3C2=O)ccc1O CCO[*:1] O=C1c2ccccc2CN1CC/[NH+]=C/c1ccc(O)c(c1)[*:1]
O=C(NCc1ccc(OCC(F)(F)F)nc1)C(=O)Nc1cc(F)cc(F)c1 FC(F)(F)[*:1] O=C(NCc1ccc(nc1)OC[*:1])C(=O)Nc1cc(F)cc(F)c1
O=C(NCc1ccc(OCC(F)(F)F)nc1)C(=O)Nc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C(NCc1ccc(nc1)OCC(F)(F)F)C(=O)N[*:1]
O=C(NCc1ccc(OCC(F)(F)F)nc1)C(=O)Nc1cc(F)cc(F)c1 FC(F)(F)C[*:1] O=C(NCc1ccc(nc1)O[*:1])C(=O)Nc1cc(F)cc(F)c1
O=C(NCc1ccc(OCC(F)(F)F)nc1)C(=O)Nc1cc(F)cc(F)c1 FC(F)(F)CO[*:1] O=C(NCc1ccc(nc1)[*:1])C(=O)Nc1cc(F)cc(F)c1
CC(C)c1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1 CC(C)[*:1] O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(cc1)[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1 O=S(=O)(c1ccccc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(o1)[*:1])c1ccc(Cl)cc1
C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(o1)S(=O)(=O)[*:1])c1ccc(Cl)cc1
C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(o1)S(=O)(=O)c1ccccc1)[*:1]
N#CCc1ccc2[nH]ccc2n1 N#CC[*:1] c1cc2nc(ccc2[nH]1)[*:1]
Cc1cccc(C(NC(=O)N(C)Cc2cnccn2)c2cccc(C)c2)c1 c1cnc(cn1)[*:1] Cc1cccc(c1)C(NC(=O)N(C)C[*:1])c1cccc(C)c1
Cc1cccc(C(NC(=O)N(C)Cc2cnccn2)c2cccc(C)c2)c1 c1cnc(cn1)C[*:1] Cc1cccc(c1)C(NC(=O)N(C)[*:1])c1cccc(C)c1
Cc1cccc(C(NC(=O)N(C)Cc2cnccn2)c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)C(NC(=O)N(C)Cc1cnccn1)[*:1]
CCCCNC(=O)CSc1nc(-c2ccccc2)no1 CCCC[*:1] O=C(CSc1nc(no1)-c1ccccc1)N[*:1]
CCCCNC(=O)CSc1nc(-c2ccccc2)no1 CCC[*:1] O=C(CSc1nc(no1)-c1ccccc1)NC[*:1]
CCCCNC(=O)CSc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CCCCNC(=O)CSc1nc(no1)[*:1]
C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccccc1F Fc1ccccc1[*:1] C[C@H](NC(=O)c1ccc2OCC(=O)Nc2c1)[*:1]
CCC[C@@H](C#N)[C@@H](O)c1cc(C)nc2ccccc12 CCC[*:1] Cc1cc(c2ccccc2n1)[C@H](O)[C@H](C#N)[*:1]
COC[C@H](C)Cc1nnc(-c2cccc(C(=O)[O-])c2)o1 O=C([O-])[*:1] COC[C@H](C)Cc1nnc(o1)-c1cccc(c1)[*:1]
COC[C@H](C)Cc1nnc(-c2cccc(C(=O)[O-])c2)o1 COC[C@H](C)[*:1] O=C([O-])c1cccc(c1)-c1nnc(C[*:1])o1
COC[C@H](C)Cc1nnc(-c2cccc(C(=O)[O-])c2)o1 COC[C@H](C)C[*:1] O=C([O-])c1cccc(c1)-c1nnc(o1)[*:1]
COC[C@H](C)Cc1nnc(-c2cccc(C(=O)[O-])c2)o1 COC[*:1] C[C@H](Cc1nnc(o1)-c1cccc(c1)C(=O)[O-])[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCOC(C)(C)C2)c1 CC(=O)[*:1] C[C@H](Oc1cccc(c1)[*:1])C(=O)N1CCOC(C)(C)C1
CCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 Clc1ccc(cc1)OC[*:1] CCCn1nc(NC(=O)[*:1])c2cc3cc(C)ccc3nc21
CCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 Clc1ccc(cc1)O[*:1] CCCn1nc(NC(=O)C[*:1])c2cc3cc(C)ccc3nc21
CCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 Clc1ccc(cc1)[*:1] CCCn1nc(NC(=O)CO[*:1])c2cc3cc(C)ccc3nc21
CCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 CCC[*:1] Cc1ccc2nc3c(cc2c1)c(nn3[*:1])NC(=O)COc1ccc(Cl)cc1
Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(cc1)OC(C)C
Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] CC(C)[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] CC(C)O[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(C[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]2O)c1 O=C([O-])[*:1] Cc1cccc(c1)C[C@H]([C@@H]1CCCC[C@@H]1O)[*:1]
COc1ccc(Br)cc1C[NH2+]CC(=O)NC(C)C CC(C)NC(=O)[*:1] COc1ccc(Br)cc1C[NH2+]C[*:1]
COc1ccc(Br)cc1C[NH2+]CC(=O)NC(C)C CC(C)[*:1] COc1ccc(Br)cc1C[NH2+]CC(=O)N[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]([NH3+])C(=O)[O-] O=C([O-])[*:1] Cc1nn(c(C)c1[C@@H]([NH3+])[*:1])[C@H]1CCS(=O)(=O)C1
CS(=O)(=O)c1ccc2[nH]/c(=N\C(=O)c3ccccc3)sc2c1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc2[nH]/c(=N\C(=O)[*:1])sc2c1
CS(=O)(=O)c1ccc2[nH]/c(=N\C(=O)c3ccccc3)sc2c1 CS(=O)(=O)[*:1] O=C(/N=c1\[nH]c2ccc(cc2s1)[*:1])c1ccccc1
CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]([NH2+][C@H](C)c1ccc2OCOc2c1)[*:1]
CN1CCc2c(sc3nc(SCCO)n(-c4ccccc4)c(=O)c23)C1 OCC[*:1] CN1CCc2c(C1)sc1nc(S[*:1])n(-c3ccccc3)c(=O)c21
CN1CCc2c(sc3nc(SCCO)n(-c4ccccc4)c(=O)c23)C1 OCCS[*:1] CN1CCc2c(C1)sc1nc(n(-c3ccccc3)c(=O)c21)[*:1]
CN1CCc2c(sc3nc(SCCO)n(-c4ccccc4)c(=O)c23)C1 c1ccc(cc1)[*:1] CN1CCc2c(C1)sc1nc(SCCO)n(c(=O)c21)[*:1]
CC(C)(C)OC(=O)NCc1cn2cc(Br)ccc2n1 CC(C)(C)[*:1] O=C(NCc1cn2cc(Br)ccc2n1)O[*:1]
Cc1noc(CNC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)n1 Cc1noc(n1)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccc(F)cc1)NC[*:1]
Cc1noc(CNC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)n1 Fc1ccc(cc1)[*:1] Cc1noc(CNC(=O)Cc2csc(n2)NC(=O)[*:1])n1
Cc1noc(CNC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)n1 Cc1noc(C[*:1])n1 O=C(Cc1csc(n1)NC(=O)c1ccc(F)cc1)N[*:1]
COC(=O)c1ccccc1NC(=O)NCc1c(-n2cccc2)sc2c1CCCC2 COC(=O)[*:1] O=C(NCc1c(sc2CCCCc21)-n1cccc1)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NC(=O)NCc1c(-n2cccc2)sc2c1CCCC2 c1ccn(c1)[*:1] COC(=O)c1ccccc1NC(=O)NCc1c(sc2CCCCc21)[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)C1 COc1ccc(cc1)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)c1cc(C)n(n1)[*:1]
C#CCN(CC(=O)[O-])C(=O)C(C)(C)[NH2+]CC C#CC[*:1] CC[NH2+]C(C)(C)C(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)C(C)(C)[NH2+]CC O=C([O-])[*:1] C#CCN(C[*:1])C(=O)C(C)(C)[NH2+]CC
C#CCN(CC(=O)[O-])C(=O)C(C)(C)[NH2+]CC O=C([O-])C[*:1] C#CCN(C(=O)C(C)(C)[NH2+]CC)[*:1]
CN(CCS(C)(=O)=O)[C@@H](C[NH3+])c1cccc(C2CC2)c1 C1CC1[*:1] CN(CCS(C)(=O)=O)[C@@H](C[NH3+])c1cccc(c1)[*:1]
CN(CCS(C)(=O)=O)[C@@H](C[NH3+])c1cccc(C2CC2)c1 CS(=O)(=O)C[*:1] CN(C[*:1])[C@@H](C[NH3+])c1cccc(c1)C1CC1
CN(CCS(C)(=O)=O)[C@@H](C[NH3+])c1cccc(C2CC2)c1 CS(=O)(=O)CC[*:1] CN([C@@H](C[NH3+])c1cccc(c1)C1CC1)[*:1]
CN(CCS(C)(=O)=O)[C@@H](C[NH3+])c1cccc(C2CC2)c1 CS(=O)(=O)[*:1] CN(CC[*:1])[C@@H](C[NH3+])c1cccc(c1)C1CC1
O=C(CCc1ccccc1O)NCCCn1cccn1 c1cnn(c1)[*:1] O=C(CCc1ccccc1O)NCCC[*:1]
O=C(CCc1ccccc1O)NCCCn1cccn1 c1cnn(c1)C[*:1] O=C(CCc1ccccc1O)NCC[*:1]
CC(=O)CCc1ccc(OC/C(Cl)=C/Cl)cc1 CC(=O)C[*:1] Cl/C=C(\Cl)COc1ccc(cc1)C[*:1]
CC(=O)CCc1ccc(OC/C(Cl)=C/Cl)cc1 CC(=O)[*:1] Cl/C=C(\Cl)COc1ccc(cc1)CC[*:1]
CC(=O)CCc1ccc(OC/C(Cl)=C/Cl)cc1 CC(=O)CC[*:1] Cl/C=C(\Cl)COc1ccc(cc1)[*:1]
CC(=O)CCc1ccc(OC/C(Cl)=C/Cl)cc1 Cl/C=C(\Cl)[*:1] CC(=O)CCc1ccc(cc1)OC[*:1]
CC(=O)CCc1ccc(OC/C(Cl)=C/Cl)cc1 Cl/C=C(\Cl)C[*:1] CC(=O)CCc1ccc(cc1)O[*:1]
CCCc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C4CCC4)s3)ccc12 CCC[*:1] O=C(COc1ccc2c(cc(=O)oc2c1)[*:1])Nc1nnc(s1)C1CCC1
CCCc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C4CCC4)s3)ccc12 C1CC(C1)[*:1] CCCc1cc(=O)oc2cc(ccc12)OCC(=O)Nc1nnc(s1)[*:1]
CCCc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C4CCC4)s3)ccc12 C1CC(C1)c1nnc(s1)[*:1] CCCc1cc(=O)oc2cc(ccc12)OCC(=O)N[*:1]
C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ncn(C)n2)cc1 Cn1cnc(n1)[*:1] C=C(Cl)COc1ccc(cc1)[C@@H](C)[NH2+]C[*:1]
C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ncn(C)n2)cc1 C=C(Cl)[*:1] C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(cc1)OC[*:1]
C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ncn(C)n2)cc1 C=C(Cl)C[*:1] C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(cc1)O[*:1]
C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ncn(C)n2)cc1 C=C(Cl)CO[*:1] C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(cc1)[*:1]
O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCN(CCn2ccnc2)CC1 c1cn(cn1)C[*:1] O=C(c1ccc(s1)[C@H]1CCC[NH2+]1)N1CCN(CC1)C[*:1]
O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCN(CCn2ccnc2)CC1 c1cn(cn1)CC[*:1] O=C(c1ccc(s1)[C@H]1CCC[NH2+]1)N1CCN(CC1)[*:1]
O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCN(CCn2ccnc2)CC1 c1cn(cn1)[*:1] O=C(c1ccc(s1)[C@H]1CCC[NH2+]1)N1CCN(CC1)CC[*:1]
CCC/C(=N/NC(=O)c1cccs1)c1ccc(C)s1 CCC[*:1] Cc1ccc(s1)/C(=N\NC(=O)c1cccs1)[*:1]
CCC/C(=N/NC(=O)c1cccs1)c1ccc(C)s1 c1csc(c1)[*:1] CCC/C(=N/NC(=O)[*:1])c1ccc(C)s1
CCC/C(=N/NC(=O)c1cccs1)c1ccc(C)s1 Cc1ccc(s1)[*:1] CCCC(=NNC(=O)c1cccs1)[*:1]
CSc1ncccc1C(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 CSc1ncccc1[*:1] O=C(N1CCC[C@@H]1c1nc(no1)-c1ccc(F)cc1F)[*:1]
CSc1ncccc1C(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 Fc1ccc(c(F)c1)[*:1] CSc1ncccc1C(=O)N1CCC[C@@H]1c1nc(no1)[*:1]
COc1cc(F)cc(CNC(=O)NC[C@@H](O)c2ccccc2F)c1 Fc1ccccc1[*:1] COc1cc(F)cc(c1)CNC(=O)NC[C@@H](O)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H]2CCCC[C@@H]21 C[C@@H]1OCC[C@@H]1[*:1] O=C(N1CCO[C@H]2CCCC[C@@H]21)[*:1]
C[C@H](CCc1ccccc1)Oc1cccnc1[N+](=O)[O-] c1ccc(cc1)[*:1] C[C@H](CC[*:1])Oc1cccnc1[N+](=O)[O-]
C[C@H](CCc1ccccc1)Oc1cccnc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](CCc1ccccc1)Oc1cccnc1[*:1]
O=C(Nc1ccccc1OC(F)F)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 FC(F)O[*:1] O=C(Nc1ccccc1[*:1])C(=O)N1CC[C@H](C1)[NH+]1CCCC1
O=C(Nc1ccccc1OC(F)F)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 FC(F)[*:1] O=C(Nc1ccccc1O[*:1])C(=O)N1CC[C@H](C1)[NH+]1CCCC1
N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@@H]1NN=C(N)[C@@H]1C#N Clc1ccc(cc1Cl)[*:1] N#C/C(=C/c1ccc(o1)[*:1])[C@@H]1NN=C(N)[C@@H]1C#N
CCCC(=O)N1CCC[C@H](C(=O)Nc2nc3ccc(C)cc3s2)C1 CCC[*:1] Cc1ccc2nc(NC(=O)[C@H]3CCCN(C3)C(=O)[*:1])sc2c1
Cc1cccc(Cn2ccn(-c3ccc(Cl)cc3)c(=O)c2=O)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)Cn1ccn(c(=O)c1=O)[*:1]
Cc1cccc(Cn2ccn(-c3ccc(Cl)cc3)c(=O)c2=O)c1 Cc1cccc(c1)[*:1] O=c1c(=O)n(ccn1C[*:1])-c1ccc(Cl)cc1
CNC(=O)CC1CCN(S(=O)(=O)c2cc(Cl)ccc2C#N)CC1 CNC(=O)[*:1] N#Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(S(=O)(=O)c2cc(Cl)ccc2C#N)CC1 CNC(=O)C[*:1] N#Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)[*:1]
C[C@@H](NC(=O)CSCC(F)(F)F)c1c(F)cccc1Cl FC(F)(F)C[*:1] C[C@@H](NC(=O)CS[*:1])c1c(F)cccc1Cl
C[C@@H](NC(=O)CSCC(F)(F)F)c1c(F)cccc1Cl FC(F)(F)CS[*:1] C[C@@H](NC(=O)C[*:1])c1c(F)cccc1Cl
C[C@@H](NC(=O)CSCC(F)(F)F)c1c(F)cccc1Cl FC(F)(F)[*:1] C[C@@H](NC(=O)CSC[*:1])c1c(F)cccc1Cl
CC[C@H](C)NC(=O)c1cnn2c3c(cnc12)C[C@H](C)CC3 CC[C@H](C)NC(=O)[*:1] C[C@@H]1CCc2c(cnc3c(cnn23)[*:1])C1
CC[C@H](C)NC(=O)c1cnn2c3c(cnc12)C[C@H](C)CC3 CC[C@H](C)[*:1] C[C@@H]1CCc2c(cnc3c(cnn23)C(=O)N[*:1])C1
Cc1cc(C)cc(N2C(=O)CS[C@H]2c2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1cc(C)cc(c1)N1C(=O)CS[C@@H]1[*:1]
COCCn1c(C)cc(CN(C)CC(F)F)c1C CN(CC(F)F)[*:1] COCCn1c(C)cc(C[*:1])c1C
COCCn1c(C)cc(CN(C)CC(F)F)c1C COC[*:1] Cc1cc(CN(C)CC(F)F)c(C)n1C[*:1]
COCCn1c(C)cc(CN(C)CC(F)F)c1C FC(F)C[*:1] COCCn1c(C)cc(CN(C)[*:1])c1C
COCCn1c(C)cc(CN(C)CC(F)F)c1C COCC[*:1] Cc1cc(CN(C)CC(F)F)c(C)n1[*:1]
COCCn1c(C)cc(CN(C)CC(F)F)c1C FC(F)[*:1] COCCn1c(C)cc(CN(C)C[*:1])c1C
CCc1nc(CC[NH2+]Cc2cc(=O)c3cc(F)ccc3[nH]2)cs1 CCc1nc(cs1)[*:1] O=c1cc(C[NH2+]CC[*:1])[nH]c2ccc(F)cc12
CCOc1ccc(OCC)c(NC(=O)Cc2cccc(Br)c2)c1 CCO[*:1] CCOc1ccc(c(c1)NC(=O)Cc1cccc(Br)c1)[*:1]
CCOc1ccc(OCC)c(NC(=O)Cc2cccc(Br)c2)c1 CCO[*:1] CCOc1ccc(cc1NC(=O)Cc1cccc(Br)c1)[*:1]
CCOc1ccc(OCC)c(NC(=O)Cc2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] CCOc1ccc(OCC)c(c1)NC(=O)C[*:1]
COc1ccc(C(=O)NNC(=O)c2ccccc2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)C(=O)NNC(=O)[*:1]
CCC1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 O=[N+]([O-])[*:1] CCC1CCC(CC1)Nc1ncc(c(N)n1)[*:1]
C[C@@](O)(CNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1)c1ccco1 c1cnn(c1)[*:1] C[C@@](O)(CNC(=O)N[C@H]1CCCC[C@H]1[*:1])c1ccco1
C[C@@](O)(CNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1)c1ccco1 C[C@@](O)(c1ccco1)[*:1] O=C(NC[*:1])N[C@H]1CCCC[C@@H]1n1cccn1
C[C@@](O)(CNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1)c1ccco1 c1coc(c1)[*:1] C[C@@](O)(CNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1)[*:1]
COc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3cccs3)sc2c1 c1csc(c1)[*:1] COc1ccc2nc(NC(=O)CN(C)S(=O)(=O)[*:1])sc2c1
CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 CC[C@@H](O)C[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCN(CC1)[*:1]
CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 CC[C@@H](O)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCN(CC1)C[*:1]
CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 O=S1(=O)CC[C@H](C1)[*:1] CC[C@@H](O)CN1CCN(CC1)C(=O)N[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1sc(C)nc1C)n2CCOC COCC[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1sc(C)nc1C)n2[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1sc(C)nc1C)n2CCOC CCOC(=O)[*:1] COCCn1/c(=N/C(=O)c2sc(C)nc2C)sc2cc(ccc21)[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1sc(C)nc1C)n2CCOC Cc1nc(C)c(s1)[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)[*:1])n2CCOC
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1sc(C)nc1C)n2CCOC COC[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1sc(C)nc1C)n2C[*:1]
CCOc1ccccc1CN(C)C(=O)N[C@H]1CCc2ccccc21 CCO[*:1] CN(Cc1ccccc1[*:1])C(=O)N[C@H]1CCc2ccccc21
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 Oc1ccc(cc1)C[*:1] C[C@@H](N(C)C(=O)Nc1ccc(c(Cl)c1)[N+](=O)[O-])[*:1]
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 Oc1ccc(cc1)[*:1] C[C@@H](C[*:1])N(C)C(=O)Nc1ccc(c(Cl)c1)[N+](=O)[O-]
C[NH+](C)CC/N=C/c1c(O)n(-c2ccccc2Cl)c(=O)[nH]c1=O Clc1ccccc1[*:1] C[NH+](C)CC/N=C/c1c(O)n(c(=O)[nH]c1=O)[*:1]
CCC(=O)N1CCN(Cc2cnc(-c3ccc(C)cc3)s2)CC1 Cc1ccc(cc1)[*:1] CCC(=O)N1CCN(CC1)Cc1cnc(s1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N(Cc1ccco1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N(Cc1ccco1)c1ccc(F)cc1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)S(=O)(=O)N(c1ccc(F)cc1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccc(F)cc1
COc1ccc(N2C(=O)[C@H]3[C@H](CC4=c5ccccc5=[NH+]C4)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 COc1ccc(cc1)[*:1] O=C1[C@H]2[C@H](CC3C[NH+]=c4ccccc4=3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1[*:1]
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1 Fc1ccc2nc(sc2c1)[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C[C@@H]1CCCO1)[*:1]
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1 C1CO[C@@H](C1)[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C[*:1])c1nc2ccc(F)cc2s1
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1 C1CO[C@@H](C1)C[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(c1nc2ccc(F)cc2s1)[*:1]
CCO[C@H]1C[C@@H](N(C)C(=O)Cc2c(C)nc(C)[nH]c2=O)C1(CC)CC CCO[*:1] CCC1(CC)[C@H](C[C@H]1N(C)C(=O)Cc1c(C)nc(C)[nH]c1=O)[*:1]
C=CCN1C(N)=[NH+]C[C@H]1CC(C)(C)C CC(C)(C)[*:1] C=CCN1C(N)=[NH+]C[C@H]1C[*:1]
C=CCN1C(N)=[NH+]C[C@H]1CC(C)(C)C C=CC[*:1] CC(C)(C)C[C@@H]1C[NH+]=C(N)N1[*:1]
O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(O)c1)CC2 Oc1cccc(c1)C[*:1] O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](CC2)[*:1]
O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(O)c1)CC2 C1CC(C1)[*:1] O=C(N1CCc2[nH]cnc2C12CC[NH+](CC2)Cc1cccc(O)c1)[*:1]
O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(O)c1)CC2 Oc1cccc(c1)[*:1] O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](CC2)C[*:1]
CC(C)[C@H]([NH3+])c1noc(C2C(C)(C)C2(C)C)n1 CC(C)[*:1] CC1(C)C(c2nc(no2)[C@@H]([NH3+])[*:1])C1(C)C
CC(C)(C)NS(=O)(=O)c1cc(C(=O)OCc2nc3ccccc3s2)ccc1Cl CC(C)(C)[*:1] O=C(OCc1nc2ccccc2s1)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
CC(C)(C)NS(=O)(=O)c1cc(C(=O)OCc2nc3ccccc3s2)ccc1Cl c1ccc2sc(nc2c1)[*:1] CC(C)(C)NS(=O)(=O)c1cc(ccc1Cl)C(=O)OC[*:1]
CC(C)(C)NS(=O)(=O)c1cc(C(=O)OCc2nc3ccccc3s2)ccc1Cl CC(C)(C)NS(=O)(=O)[*:1] O=C(OCc1nc2ccccc2s1)c1ccc(Cl)c(c1)[*:1]
COCCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 COCCC[*:1] C[C@H]1CCc2c(C1)sc1nc(CCC(=O)N[*:1])[nH]c(=O)c21
COCCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 COCC[*:1] C[C@H]1CCc2c(C1)sc1nc(CCC(=O)NC[*:1])[nH]c(=O)c21
COCCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 COC[*:1] C[C@H]1CCc2c(C1)sc1nc(CCC(=O)NCC[*:1])[nH]c(=O)c21
COCCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 COCCCNC(=O)[*:1] C[C@H]1CCc2c(C1)sc1nc(CC[*:1])[nH]c(=O)c21
COC(=O)C(C)(C)Cn1cccc1[C@@H](C)[NH3+] COC(=O)[*:1] C[C@@H]([NH3+])c1cccn1CC(C)(C)[*:1]
Cc1nnccc1C(=O)O[C@@H](C)c1ccccc1N(C)C CN(C)[*:1] Cc1nnccc1C(=O)O[C@@H](C)c1ccccc1[*:1]
Cc1nnccc1C(=O)O[C@@H](C)c1ccccc1N(C)C Cc1nnccc1[*:1] C[C@H](OC(=O)[*:1])c1ccccc1N(C)C
COc1ccc(OC)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c1 c1coc(c1)[*:1] COc1ccc(OC)c(c1)C(=O)Nc1ccc(cc1C(F)(F)F)NC(=O)[*:1]
COc1ccc(OC)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c1 COc1ccc(OC)c(c1)[*:1] O=C(Nc1ccc(NC(=O)[*:1])c(c1)C(F)(F)F)c1ccco1
COc1ccc(OC)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(OC)c(c1)C(=O)Nc1ccc(cc1[*:1])NC(=O)c1ccco1
COc1ccc(OC)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c1 O=C(N[*:1])c1ccco1 COc1ccc(OC)c(c1)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
CCC1(CNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 CCC1(CC1)C[*:1] O=C(Nc1cc(Cl)ccc1N1CCOCC1)N[*:1]
CCC1(CNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])Nc1cc(Cl)ccc1N1CCOCC1
CCC1(CNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] CCC1(CC1)CNC(=O)Nc1cc(Cl)ccc1[*:1]
Cc1nc(COc2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)no1 Cc1nc(no1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(cc1)OC[*:1]
Cc1nc(COc2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)no1 Cc1nc(C[*:1])no1 C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(cc1)O[*:1]
Cc1nc(COc2ccc(C(=O)N[C@@H]3CCCC[C@H]3C)cc2)no1 Cc1nc(CO[*:1])no1 C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(cc1)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(O)c2[C@H]3c2ccc(Br)cc2)cc1OC COc1ccc(cc1OC)[*:1] O=C1C[C@H](CC2Nc3[nH]nc(O)c3[C@H](C=21)c1ccc(Br)cc1)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(O)c2[C@H]3c2ccc(Br)cc2)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2[*:1]
Cc1nn(C)c(C)c1CC(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl Cc1nn(C)c(C)c1[*:1] N#C[C@H](C(=O)C[*:1])c1ncc(cc1Cl)C(F)(F)F
Cc1nn(C)c(C)c1CC(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] Cc1nn(C)c(C)c1CC(=O)[C@@H](C#N)c1ncc(cc1Cl)[*:1]
CC#CCOC(=O)[C@@H](SCC)C(C)C CC#C[*:1] CCS[C@H](C(=O)OC[*:1])C(C)C
CC#CCOC(=O)[C@@H](SCC)C(C)C CC#CC[*:1] CCS[C@H](C(=O)O[*:1])C(C)C
CC#CCOC(=O)[C@@H](SCC)C(C)C CC(C)[*:1] CC#CCOC(=O)[C@@H](SCC)[*:1]
CC#CCOC(=O)[C@@H](SCC)C(C)C CCS[*:1] CC#CCOC(=O)[C@@H](C(C)C)[*:1]
Nc1nn(COc2cccc(C(F)(F)F)c2)cc1Cl FC(F)(F)[*:1] Nc1nn(cc1Cl)COc1cccc(c1)[*:1]
COc1cc(C)ccc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CC(C)[*:1] COc1cc(C)ccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
c1ccc2nc(NCC[C@@H]3CCCO3)cnc2c1 C1CO[C@@H](C1)[*:1] c1ccc2nc(cnc2c1)NCC[*:1]
c1ccc2nc(NCC[C@@H]3CCCO3)cnc2c1 C1CO[C@@H](C1)C[*:1] c1ccc2nc(cnc2c1)NC[*:1]
COc1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)N[*:1]
COc1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@@H](C)NC(=O)[C@H]1CCO[C@@H]1C
CC[C@@H](NC(=O)N1CCCC[C@@H]1CN1CCOCC1)c1cccs1 C1CN(CCO1)C[*:1] CC[C@@H](NC(=O)N1CCCC[C@H]1[*:1])c1cccs1
CC[C@@H](NC(=O)N1CCCC[C@@H]1CN1CCOCC1)c1cccs1 C1CN(CCO1)[*:1] CC[C@@H](NC(=O)N1CCCC[C@@H]1C[*:1])c1cccs1
CC[C@@H](NC(=O)N1CCCC[C@@H]1CN1CCOCC1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)N1CCCC[C@@H]1CN1CCOCC1)[*:1]
CC[C@@H](NC(=O)N1CCCC[C@@H]1CN1CCOCC1)c1cccs1 CC[C@@H](c1cccs1)[*:1] O=C(N[*:1])N1CCCC[C@@H]1CN1CCOCC1
CC(=O)c1cccc(NC(=O)[C@@H](C)n2c(=O)cc(C)c3cc(C)cc(C)c32)c1 CC(=O)[*:1] Cc1cc(C)c2c(c1)c(C)cc(=O)n2[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)n2c(=O)cc(C)c3cc(C)cc(C)c32)c1 CC(=O)c1cccc(c1)[*:1] Cc1cc(C)c2c(c1)c(C)cc(=O)n2[C@H](C)C(=O)N[*:1]
COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCCC3)=C2)cc1OC O=C(N1CCCCC1)[*:1] COc1ccc(cc1OC)C1C=C(N(C)S(=O)(=O)N=1)[*:1]
O=C(C[NH2+]C1CCCC1)N[C@@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(C[NH2+]C1CCCC1)N[C@@H]1CCCCC[C@@H]1[*:1]
O=C(C[NH2+]C1CCCC1)N[C@@H]1CCCCC[C@H]1C(=O)[O-] C1CCC(C1)[*:1] O=C(C[NH2+][*:1])N[C@@H]1CCCCC[C@H]1C(=O)[O-]
CCC[C@H]1C[C@H]1NC(=O)Cn1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCC[C@H]1C[C@H]1NC(=O)Cn1nnc(n1)[*:1]
CCC[C@H]1C[C@H]1NC(=O)Cn1nnc(-c2ccccc2)n1 CCC[*:1] O=C(Cn1nnc(n1)-c1ccccc1)N[C@@H]1C[C@@H]1[*:1]
C[NH+](C)[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNc1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
C[NH+](C)[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 FC(F)(F)[*:1] C[NH+](C)[C@@H](CNc1ccc(cc1[N+](=O)[O-])[*:1])c1ccco1
C[NH+](C)[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 O=[N+]([O-])[*:1] C[NH+](C)[C@@H](CNc1ccc(cc1[*:1])C(F)(F)F)c1ccco1
CN(Cc1ccc(F)c(F)c1)C[C@H](O)c1ccccc1Cl Clc1ccccc1[*:1] CN(Cc1ccc(F)c(F)c1)C[C@H](O)[*:1]
Cc1csc([C@@H]2CCCN(C(=O)Nc3cnccc3C)C2)n1 Cc1csc(n1)[*:1] Cc1ccncc1NC(=O)N1CCC[C@H](C1)[*:1]
Cc1csc([C@@H]2CCCN(C(=O)Nc3cnccc3C)C2)n1 Cc1ccncc1[*:1] Cc1csc(n1)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)C(=O)NNC(=O)c1ccc(cc1Cl)[*:1]
N#Cc1nc(N2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1Cl Clc1ccc(cc1)[*:1] N#Cc1nc(ccc1Cl)N1CCO[C@H](C1)[*:1]
CCCC(=O)N1CCC[C@H](C(=O)O[C@H](c2ccccc2)c2ccncc2)C1 c1cc(ccn1)[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)O[C@H](c1ccccc1)[*:1]
CCCC(=O)N1CCC[C@H](C(=O)O[C@H](c2ccccc2)c2ccncc2)C1 CCC[*:1] O=C(O[C@H](c1ccccc1)c1ccncc1)[C@H]1CCCN(C1)C(=O)[*:1]
CCCC(=O)N1CCC[C@H](C(=O)O[C@H](c2ccccc2)c2ccncc2)C1 c1ccc(cc1)[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)O[C@H](c1ccncc1)[*:1]
C[C@H](NC(=O)N[C@H](C)[C@@H]1CCCO1)c1cccc(-n2cccn2)c1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)N[C@H](C)[C@@H]1CCCO1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)N[C@H](C)[C@@H]1CCCO1)c1cccc(c1)[*:1]
CC(C)C[NH2+]C[C@H]1CCO[C@H]1c1cccc(F)c1 CC(C)C[*:1] Fc1cccc(c1)[C@@H]1OCC[C@@H]1C[NH2+][*:1]
CC(C)C[NH2+]C[C@H]1CCO[C@H]1c1cccc(F)c1 CC(C)[*:1] Fc1cccc(c1)[C@@H]1OCC[C@@H]1C[NH2+]C[*:1]
Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)nn1C Cc1cc(nn1C)[*:1] N#C[C@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)nn1C c1ccc(cc1)[*:1] Cc1cc(nn1C)C(=O)N1CCN(CC1)[C@H](C#N)[*:1]
CC(C)Nc1cccc(CNC(=O)c2cc(-c3ccco3)[nH]n2)c1 CC(C)N[*:1] O=C(NCc1cccc(c1)[*:1])c1cc([nH]n1)-c1ccco1
CC(C)Nc1cccc(CNC(=O)c2cc(-c3ccco3)[nH]n2)c1 CC(C)[*:1] O=C(NCc1cccc(c1)N[*:1])c1cc([nH]n1)-c1ccco1
CC(C)Nc1cccc(CNC(=O)c2cc(-c3ccco3)[nH]n2)c1 c1coc(c1)[*:1] CC(C)Nc1cccc(c1)CNC(=O)c1cc([nH]n1)[*:1]
Cc1ccc2ccc3cc(C(=O)NCc4ccc(F)cc4)[nH]c3c2n1 Fc1ccc(cc1)[*:1] Cc1ccc2ccc3cc([nH]c3c2n1)C(=O)NC[*:1]
Cc1ccc2ccc3cc(C(=O)NCc4ccc(F)cc4)[nH]c3c2n1 Fc1ccc(cc1)C[*:1] Cc1ccc2ccc3cc([nH]c3c2n1)C(=O)N[*:1]
Cc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@@H]3CCCc4ccccc43)c(C)o2)cc1 c1ccc2c(c1)CCC[C@H]2[*:1] Cc1ccc(cc1)-c1nc(C[S@@](=O)CC(=O)N[*:1])c(C)o1
Cc1ccc(-c2nc(C[S@@](=O)CC(=O)N[C@@H]3CCCc4ccccc43)c(C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1oc(nc1C[S@@](=O)CC(=O)N[C@@H]1CCCc2ccccc21)[*:1]
CC(C)(C)c1ccc(NC(=O)N2CCC(C3OCCO3)CC2)cc1 C1COC(O1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)N1CCC(CC1)[*:1]
CC(C)(C)c1ccc(NC(=O)N2CCC(C3OCCO3)CC2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC(CC1)C1OCCO1
COc1cccc(C(=O)NCCC(=O)Nc2ccccc2C)c1 Cc1ccccc1[*:1] COc1cccc(c1)C(=O)NCCC(=O)N[*:1]
CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 CC(C)[*:1] O=C(c1cccs1)N1CCc2ccc(cc21)NS(=O)(=O)c1ccc(cc1)OC[*:1]
CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 CC(C)CO[*:1] O=C(c1cccs1)N1CCc2ccc(cc21)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 CC(C)C[*:1] O=C(c1cccs1)N1CCc2ccc(cc21)NS(=O)(=O)c1ccc(cc1)O[*:1]
CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 c1csc(c1)[*:1] CC(C)COc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
Cc1nn(CC(=O)OCCOc2ccc(C#N)cc2)c(=O)c2ccccc12 N#Cc1ccc(cc1)[*:1] Cc1nn(CC(=O)OCCO[*:1])c(=O)c2ccccc12
Cc1nn(CC(=O)OCCOc2ccc(C#N)cc2)c(=O)c2ccccc12 N#Cc1ccc(cc1)O[*:1] Cc1nn(CC(=O)OCC[*:1])c(=O)c2ccccc12
O=C([O-])CCCNc1ccccc1SC(F)F O=C([O-])[*:1] FC(F)Sc1ccccc1NCCC[*:1]
O=C([O-])CCCNc1ccccc1SC(F)F FC(F)S[*:1] O=C([O-])CCCNc1ccccc1[*:1]
O=C([O-])CCCNc1ccccc1SC(F)F O=C([O-])CC[*:1] FC(F)Sc1ccccc1NC[*:1]
O=C([O-])CCCNc1ccccc1SC(F)F FC(F)[*:1] O=C([O-])CCCNc1ccccc1S[*:1]
O=C([O-])CCCNc1ccccc1SC(F)F O=C([O-])C[*:1] FC(F)Sc1ccccc1NCC[*:1]
CCCc1ccc(/C=C/CC[NH2+]C)cc1 CCC[*:1] C[NH2+]CC/C=C/c1ccc(cc1)[*:1]
CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](CC1)[*:1]
CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 C1CO[C@@H](C1)C[*:1] CC(C)C[C@@H](c1nnnn1[*:1])N1CC[NH+](CC1)C1CCCC1
CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 CC(C)C[*:1] C1CCC(C1)[NH+]1CCN(CC1)[C@H](c1nnnn1C[C@@H]1CCCO1)[*:1]
CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 C1CO[C@@H](C1)[*:1] CC(C)C[C@@H](c1nnnn1C[*:1])N1CC[NH+](CC1)C1CCCC1
CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](C2CCCC2)CC1 CC(C)[*:1] C1CCC(C1)[NH+]1CCN(CC1)[C@@H](C[*:1])c1nnnn1C[C@@H]1CCCO1
Cc1c(NCC(=O)Nc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] FC(F)O[*:1] Cc1c(cccc1[N+](=O)[O-])NCC(=O)Nc1ccc(cc1)[*:1]
Cc1c(NCC(=O)Nc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] FC(F)[*:1] Cc1c(cccc1[N+](=O)[O-])NCC(=O)Nc1ccc(cc1)O[*:1]
Cc1c(NCC(=O)Nc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NCC(=O)Nc1ccc(cc1)OC(F)F
O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1C1CCCC1 C1CCC(C1)[*:1] O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1[*:1]
C[C@H]1CN(Cc2nnc(C3CC3)o2)C(C)(C)CO1 C1CC1[*:1] C[C@H]1CN(Cc2nnc(o2)[*:1])C(C)(C)CO1
CCS[C@@H]1CCC[C@@H](NC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)C1 CCS[*:1] O=C(N[C@@H]1CCC[C@H](C1)[*:1])N1CCC(CC1)OC[C@@H]1CCCCO1
CCS[C@@H]1CCC[C@@H](NC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)C1 C1CC[C@@H](C[*:1])OC1 CCS[C@@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)O[*:1]
CCS[C@@H]1CCC[C@@H](NC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)C1 C1CC[C@@H](CO[*:1])OC1 CCS[C@@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)[*:1]
CCS[C@@H]1CCC[C@@H](NC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)C1 C1CC[C@H](OC1)[*:1] CCS[C@@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)OC[*:1]
Cc1csc([C@H](NC(=O)N(C)CCc2ccccc2)C2CC2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)[C@H](NC(=O)N(C)C[*:1])C1CC1
Cc1csc([C@H](NC(=O)N(C)CCc2ccccc2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](NC(=O)N(C)CCc1ccccc1)[*:1]
Cc1csc([C@H](NC(=O)N(C)CCc2ccccc2)C2CC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@H](NC(=O)N(C)CC[*:1])C1CC1
Cc1csc([C@H](NC(=O)N(C)CCc2ccccc2)C2CC2)n1 Cc1csc(n1)[*:1] CN(CCc1ccccc1)C(=O)N[C@H](C1CC1)[*:1]
O=C(Nc1ccc2cn[nH]c2c1)c1csc(Nc2ccccn2)n1 c1ccc(nc1)[*:1] O=C(Nc1ccc2cn[nH]c2c1)c1csc(n1)N[*:1]
O=C(Nc1ccc2cn[nH]c2c1)c1csc(Nc2ccccn2)n1 c1ccc(nc1)N[*:1] O=C(Nc1ccc2cn[nH]c2c1)c1csc(n1)[*:1]
Cc1cccc(NC(=O)C[NH+]2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)c1C C1CCC(C1)[*:1] Cc1cccc(NC(=O)C[NH+]2CCC(CC2)c2nn(C)c(=O)n2[*:1])c1C
Cc1cccc(NC(=O)C[NH+]2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)c1C Cc1cccc(c1C)[*:1] Cn1nc(C2CC[NH+](CC2)CC(=O)N[*:1])n(c1=O)C1CCCC1
C=CCNC(=O)C(=O)Nc1c(C)cccc1C(C)C C=CC[*:1] Cc1cccc(c1NC(=O)C(=O)N[*:1])C(C)C
C=CCNC(=O)C(=O)Nc1c(C)cccc1C(C)C CC(C)[*:1] C=CCNC(=O)C(=O)Nc1c(C)cccc1[*:1]
Cc1noc(C)c1COc1ccc(CN2CCO[C@H](c3ccsc3)C2)cc1 Cc1noc(C)c1CO[*:1] c1cc(cs1)[C@@H]1CN(CCO1)Cc1ccc(cc1)[*:1]
Cc1noc(C)c1COc1ccc(CN2CCO[C@H](c3ccsc3)C2)cc1 c1cc(cs1)[*:1] Cc1noc(C)c1COc1ccc(cc1)CN1CCO[C@H](C1)[*:1]
Cc1noc(C)c1COc1ccc(CN2CCO[C@H](c3ccsc3)C2)cc1 Cc1noc(C)c1[*:1] c1cc(cs1)[C@@H]1CN(CCO1)Cc1ccc(cc1)OC[*:1]
Cc1noc(C)c1COc1ccc(CN2CCO[C@H](c3ccsc3)C2)cc1 Cc1noc(C)c1C[*:1] c1cc(cs1)[C@@H]1CN(CCO1)Cc1ccc(cc1)O[*:1]
Cn1nc2c(c1NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CCC2 O=[N+]([O-])[*:1] Cn1nc2CCCc2c1NC(=O)c1cc2cc(ccc2s1)[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1 C1CCc2nnc(n2CC1)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(c1)[*:1]
CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(F)cc2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN1C(=O)c1ccc(F)cc1
CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)[C@H]1CCCN1C(=O)[*:1]
O=S(=O)(Cc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 c1ccc(cc1)C[*:1] O=S(=O)(N1CCC[C@@H](C1)c1cccc(Cc2ccc(F)cc2)n1)[*:1]
O=S(=O)(Cc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])N1CCC[C@@H](C1)c1cccc(Cc2ccc(F)cc2)n1
O=S(=O)(Cc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 Fc1ccc(cc1)[*:1] O=S(=O)(Cc1ccccc1)N1CCC[C@@H](C1)c1cccc(C[*:1])n1
O=S(=O)(Cc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 Fc1ccc(cc1)C[*:1] O=S(=O)(Cc1ccccc1)N1CCC[C@@H](C1)c1cccc(n1)[*:1]
C[C@H](Nc1nc2ccc(Cl)cn2n1)c1nncn1C Cn1cnnc1[*:1] C[C@H](Nc1nc2ccc(Cl)cn2n1)[*:1]
COc1ccc(NC(=O)CNc2ccc(F)cc2)c(OC)c1 Fc1ccc(cc1)[*:1] COc1ccc(NC(=O)CN[*:1])c(c1)OC
Cc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(c4ccc(F)cc4)CC3)c2c1 Fc1ccc(cc1)[*:1] Cc1ccc2[nH]cc(c2c1)[C@@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
Cc1nc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc(-n2cnc(C)c2C)n1 Cc1ncn(c1C)[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)c1cccc(F)c1
Cc1nc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc(-n2cnc(C)c2C)n1 Fc1cccc(c1)[*:1] Cc1nc(cc(n1)-n1cnc(C)c1C)N1CCN(CC1)C(=O)[*:1]
O=C(C[NH+]1CCC(C(=O)N2CCCC2)CC1)Nc1ccc(I)cc1 O=C(N1CCCC1)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1ccc(I)cc1
O=C(C[NH+]1CCC(C(=O)N2CCCC2)CC1)Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)N1CCCC1)N[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)CC(=O)N[*:1]
O=c1c2ccccc2[nH]c2ccc(Oc3ccc(S(=O)(=O)N4CCCC4)cn3)cc12 O=S(=O)(N1CCCC1)[*:1] O=c1c2ccccc2[nH]c2ccc(cc12)Oc1ccc(cn1)[*:1]
N#C/C(=C\c1cc(Br)cs1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 Brc1csc(c1)[*:1] N#CC(=C[*:1])C(=O)Nc1cc2OCCOc2cc1[N+](=O)[O-]
N#C/C(=C\c1cc(Br)cs1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 O=[N+]([O-])[*:1] N#C/C(=C\c1cc(Br)cs1)C(=O)Nc1cc2OCCOc2cc1[*:1]
CCOc1ccc(NC(=O)N2CCC(Cn3cc[nH+]c3CC)CC2)cc1 CCO[*:1] CCc1[nH+]ccn1CC1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
COc1cccc(C(=O)N2CCC(c3nc(=O)c4nnn(Cc5cccc(F)c5)c4[nH]3)CC2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)C(=O)N1CCC(CC1)c1nc(=O)c2nnn(C[*:1])c2[nH]1
COc1cccc(C(=O)N2CCC(c3nc(=O)c4nnn(Cc5cccc(F)c5)c4[nH]3)CC2)c1 COc1cccc(c1)[*:1] O=C(N1CCC(CC1)c1nc(=O)c2nnn(Cc3cccc(F)c3)c2[nH]1)[*:1]
COc1cccc(C(=O)N2CCC(c3nc(=O)c4nnn(Cc5cccc(F)c5)c4[nH]3)CC2)c1 Fc1cccc(c1)C[*:1] COc1cccc(c1)C(=O)N1CCC(CC1)c1nc(=O)c2nnn(c2[nH]1)[*:1]
CCOc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(S(=O)(=O)N(C)C)cc32)cc1 CCOc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N[*:1])C(=O)[C@@H]1CCCCN21
CCOc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(S(=O)(=O)N(C)C)cc32)cc1 CN(C)S(=O)(=O)[*:1] CCOc1ccc(cc1)NC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)[*:1]
CCOc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(S(=O)(=O)N(C)C)cc32)cc1 CCO[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(cc1)[*:1])C(=O)[C@@H]1CCCCN21
O=c1c(C(F)(F)F)cccn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 FC(F)(F)[*:1] O=c1c(cccn1Cc1nc(no1)-c1cccc(c1)[N+](=O)[O-])[*:1]
O=c1c(C(F)(F)F)cccn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 O=[N+]([O-])[*:1] O=c1c(cccn1Cc1nc(no1)-c1cccc(c1)[*:1])C(F)(F)F
COc1ccc(NC(C)=O)cc1NC(=O)c1csc(Nc2nc(C)cc(C)n2)n1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)c1csc(n1)Nc1nc(C)cc(C)n1)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)c1csc(Nc2nc(C)cc(C)n2)n1 Cc1cc(C)nc(n1)N[*:1] COc1ccc(cc1NC(=O)c1csc(n1)[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)c1csc(Nc2nc(C)cc(C)n2)n1 Cc1cc(C)nc(n1)[*:1] COc1ccc(cc1NC(=O)c1csc(n1)N[*:1])NC(C)=O
CCc1ccccc1NC(=O)CNC(=O)N[C@@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCc1ccccc1NC(=O)CNC(=O)N[C@@H](C)[*:1]
CCOc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)c(C(N)=O)c1 CCO[*:1] NC(=O)c1cc(ccc1NC(=O)c1cccc(c1)-c1ccoc1)[*:1]
CCOc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)c(C(N)=O)c1 c1cc(co1)[*:1] CCOc1ccc(NC(=O)c2cccc(c2)[*:1])c(c1)C(N)=O
CCOc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)c(C(N)=O)c1 NC(=O)[*:1] CCOc1ccc(NC(=O)c2cccc(c2)-c2ccoc2)c(c1)[*:1]
CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C(=O)N(CC(C)(C)C)C[C@]23C=C[C@H]1O3 CC(C)(C)C[*:1] CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C(=O)N(CC(C)(C)C)C[C@]23C=C[C@H]1O3 CC(C)(C)[*:1] CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)C[*:1]
CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C(=O)N(CC(C)(C)C)C[C@]23C=C[C@H]1O3 c1cc(no1)[*:1] CN(C[*:1])C(=O)[C@@H]1[C@@H]2C(=O)N(CC(C)(C)C)C[C@]23C=C[C@H]1O3
CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C(=O)N(CC(C)(C)C)C[C@]23C=C[C@H]1O3 c1cc(C[*:1])no1 CN(C(=O)[C@@H]1[C@@H]2C(=O)N(CC(C)(C)C)C[C@]23C=C[C@H]1O3)[*:1]
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C2CCCCC2)cc1 COc1ccc(cc1)[*:1] COc1cc2CCN(C(=O)C3CCCCC3)[C@@H](c2cc1OC)[*:1]
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)[C@@H]1c2cc(OC)c(cc2CCN1C(=O)[*:1])OC
NS(=O)(=O)c1ccc(NC(=O)C2=C([O-])Nc3ccccc3O2)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1Oc2ccccc2NC=1[O-]
Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccco2)n1 Cc1ccccc1[*:1] C[C@@H](NC(=O)c1ccco1)c1nc(no1)[*:1]
Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccco2)n1 c1coc(c1)[*:1] Cc1ccccc1-c1noc(n1)[C@@H](C)NC(=O)[*:1]
CS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 O=[N+]([O-])[*:1] CS[C@@H]1CCC[C@H](C1)Nc1ccc(cc1N1CCOC1=O)[*:1]
CS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 O=C1OCCN1[*:1] CS[C@@H]1CCC[C@H](C1)Nc1ccc(cc1[*:1])[N+](=O)[O-]
N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1NCCN1CCOCC1 C1CN(CCO1)CC[*:1] N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1N[*:1]
N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1NCCN1CCOCC1 Clc1ccc(c(Cl)c1)[*:1] N#Cc1nc(CO[*:1])oc1NCCN1CCOCC1
N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1NCCN1CCOCC1 C1CN(CCO1)[*:1] N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1NCC[*:1]
N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1NCCN1CCOCC1 C1CN(CCO1)C[*:1] N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1NC[*:1]
COc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] Cn1cccc1[C@@H](CNC(=O)C(=O)N[*:1])[NH+]1CCCC1
COc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+]2CCCC2)cc1 Cn1cccc1[*:1] COc1ccc(cc1)NC(=O)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
COc1ccc([C@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C1[C@@H]2[C@H](C(=O)N1C1CCCCC1)[C@H](NN2Cc1ccccc1)[*:1]
COc1ccc([C@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1NN(C[*:1])[C@@H]2C(=O)N(C(=O)[C@H]12)C1CCCCC1
COc1ccc([C@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)c(OC)c1 c1ccc(cc1)C[*:1] COc1ccc(c(c1)OC)[C@H]1NN([C@@H]2C(=O)N(C(=O)[C@H]12)C1CCCCC1)[*:1]
COc1ccc([C@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)c(OC)c1 C1CCC(CC1)[*:1] COc1ccc(c(c1)OC)[C@H]1NN(Cc2ccccc2)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
CCCOc1cccc(CN[C@H](C)C(=O)N2CCOCC2)c1 CCCO[*:1] C[C@@H](NCc1cccc(c1)[*:1])C(=O)N1CCOCC1
CCCOc1cccc(CN[C@H](C)C(=O)N2CCOCC2)c1 CCC[*:1] C[C@@H](NCc1cccc(c1)O[*:1])C(=O)N1CCOCC1
CC(C)CC(=O)Nc1cc(Cl)ccc1C#N CC(C)[*:1] N#Cc1ccc(Cl)cc1NC(=O)C[*:1]
CC(C)CC(=O)Nc1cc(Cl)ccc1C#N CC(C)C[*:1] N#Cc1ccc(Cl)cc1NC(=O)[*:1]
CC[C@@H](C)NC(=O)N[C@@H](C)CCc1ccc(O)cc1 CC[C@@H](C)[*:1] C[C@@H](CCc1ccc(O)cc1)NC(=O)N[*:1]
Cc1cc(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)no1 FC(F)(F)[*:1] Cc1cc(CN2CCN(CC2)S(=O)(=O)c2cccc(c2)[*:1])no1
Cc1cc(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)no1 Cc1cc(no1)[*:1] O=S(=O)(c1cccc(c1)C(F)(F)F)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)no1 Cc1cc(C[*:1])no1 O=S(=O)(c1cccc(c1)C(F)(F)F)N1CCN(CC1)[*:1]
CC[C@@H](CC[NH3+])CCc1nnc2cc(C)nc(C)n12 [NH3+]CC[*:1] CC[C@@H](CCc1nnc2cc(C)nc(C)n12)[*:1]
CC[NH2+][C@]1(C(=O)[O-])CC[C@H](SC2COC2)C1 C1OCC1S[*:1] CC[NH2+][C@@]1(CC[C@H](C1)[*:1])C(=O)[O-]
CC[NH2+][C@]1(C(=O)[O-])CC[C@H](SC2COC2)C1 O=C([O-])[*:1] CC[NH2+][C@@]1(CC[C@@H](C1)SC1COC1)[*:1]
CC[NH2+][C@]1(C(=O)[O-])CC[C@H](SC2COC2)C1 C1OCC1[*:1] CC[NH2+][C@@]1(CC[C@@H](C1)S[*:1])C(=O)[O-]
CCCCc1nc(C)c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)s1 CCC[*:1] Cc1nc(C[*:1])sc1C(=O)N1CCN(CC1)Cc1ccc2OCCc2c1
CCCCc1nc(C)c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)s1 CCCC[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)Cc1ccc2OCCc2c1)[*:1]
CCCCc1nc(C)c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)s1 c1cc2OCCc2cc1[*:1] CCCCc1nc(C)c(s1)C(=O)N1CCN(CC1)C[*:1]
CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc(Br)cc1F CN(C)C(=O)S[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Br)cc1F
O=C(CSc1ccccc1Cl)NC[C@@H]1CCCN(c2ncccn2)C1 Clc1ccccc1S[*:1] O=C(C[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
O=C(CSc1ccccc1Cl)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(CSc1ccccc1Cl)NC[C@@H]1CCCN(C1)[*:1]
O=C(CSc1ccccc1Cl)NC[C@@H]1CCCN(c2ncccn2)C1 Clc1ccccc1[*:1] O=C(CS[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc1 CCC[*:1] C[C@@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)OC[*:1]
CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc1 CCCC[*:1] C[C@@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)O[*:1]
CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc1 CCCCO[*:1] C[C@@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
FC(F)(F)c1ccccc1CCBr FC(F)(F)[*:1] BrCCc1ccccc1[*:1]
FC(F)(F)c1ccccc1CCBr BrCC[*:1] FC(F)(F)c1ccccc1[*:1]
CCN(Cc1cccc(NCc2ccc(F)cc2C)c1)C(C)=O CCN(C(C)=O)[*:1] Cc1cc(F)ccc1CNc1cccc(c1)C[*:1]
CCN(Cc1cccc(NCc2ccc(F)cc2C)c1)C(C)=O CCN(C[*:1])C(C)=O Cc1cc(F)ccc1CNc1cccc(c1)[*:1]
Cc1ccc(C)n1N[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1ccc(C)n1N[C@H](C)[*:1]
Cc1ccc(C)n1N[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(C)n1N[C@H](C)C[*:1]
Cc1c(C(=O)Nc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1
Cc1c(C(=O)Nc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cccc1[N+](=O)[O-] Cc1c(cccc1[*:1])[N+](=O)[O-] O=C1c2ccc(cc2C(=O)N1C[C@@H]1CCCO1)NC(=O)[*:1]
C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)NC[*:1]
C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)N[*:1]
O=C(CNC(=O)NCc1ccccc1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CNC(=O)NCc1ccccc1)N[*:1]
O=C(CNC(=O)NCc1ccccc1)Nc1cccc(F)c1 c1ccc(cc1)C[*:1] O=C(CNC(=O)N[*:1])Nc1cccc(F)c1
O=C(CNC(=O)NCc1ccccc1)Nc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(CNC(=O)NC[*:1])Nc1cccc(F)c1
Cc1ccc(-n2cc(C[NH+]3CCNC(=O)CC3)c(-c3cccc(C)c3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)-c1nn(cc1C[NH+]1CCNC(=O)CC1)[*:1]
Cc1ccc(-n2cc(C[NH+]3CCNC(=O)CC3)c(-c3cccc(C)c3)n2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)-n1cc(C[NH+]2CCNC(=O)CC2)c(n1)[*:1]
OC[C@H]1CCCO[C@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] OC[C@H]1CCCO[C@H]1c1cccc(c1)[*:1]
CN1CCO[C@@H](c2noc(CC[NH2+]C3CC3)n2)C1 C1CC1[*:1] CN1CCO[C@H](C1)c1noc(CC[NH2+][*:1])n1
NC(=O)c1cnc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c(Cl)c1 C1CN(CCO1)[*:1] NC(=O)c1cnc(NC[C@H]([C@@H]2CCOC2)[*:1])c(Cl)c1
NC(=O)c1cnc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c(Cl)c1 NC(=O)[*:1] Clc1cc(cnc1NC[C@H]([C@@H]1CCOC1)N1CCOCC1)[*:1]
NC(=O)c1cnc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c(Cl)c1 C1C[C@H](CO1)[*:1] NC(=O)c1cnc(NC[C@H](N2CCOCC2)[*:1])c(Cl)c1
O=C(c1cnc(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1cnc(nc1-c1ccccc1)-c1ccccc1)N1CCN(CC1)[*:1]
O=C(c1cnc(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(c1cnc(nc1[*:1])-c1ccccc1)N1CCN(CC1)c1ccccc1F
O=C(c1cnc(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(c1cnc(nc1-c1ccccc1)[*:1])N1CCN(CC1)c1ccccc1F
COc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cc(C)c(I)cc1C
Cc1cc(C)nc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)NC(=O)c1cc(nc2ccccc12)[*:1]
Cc1cc(C)nc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n1 Cc1cc(C)nc(n1)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccccc1
CCOCCN(C)S(=O)(=O)c1cc(OC)ccc1Br CCOCC[*:1] COc1ccc(Br)c(c1)S(=O)(=O)N(C)[*:1]
CCOCCN(C)S(=O)(=O)c1cc(OC)ccc1Br CCOC[*:1] COc1ccc(Br)c(c1)S(=O)(=O)N(C)C[*:1]
CCOCCN(C)S(=O)(=O)c1cc(OC)ccc1Br CCO[*:1] COc1ccc(Br)c(c1)S(=O)(=O)N(C)CC[*:1]
CC(C)N(C)S(=O)(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 CC(C)[*:1] C[C@@H](NS(=O)(=O)N(C)[*:1])c1ccc2OCCCOc2c1
O=C(Nc1ccc(Oc2cccnc2)nc1)N(CC1CC1)C1CCCCC1 c1cncc(c1)[*:1] O=C(Nc1ccc(nc1)O[*:1])N(CC1CC1)C1CCCCC1
O=C(Nc1ccc(Oc2cccnc2)nc1)N(CC1CC1)C1CCCCC1 c1cncc(c1)O[*:1] O=C(Nc1ccc(nc1)[*:1])N(CC1CC1)C1CCCCC1
O=C(Nc1ccc(Oc2cccnc2)nc1)N(CC1CC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccc(nc1)Oc1cccnc1)N(CC1CC1)[*:1]
O=C(Nc1ccc(Oc2cccnc2)nc1)N(CC1CC1)C1CCCCC1 C1CC1[*:1] O=C(Nc1ccc(nc1)Oc1cccnc1)N(C[*:1])C1CCCCC1
O=C(Nc1ccc(Oc2cccnc2)nc1)N(CC1CC1)C1CCCCC1 C1CC1C[*:1] O=C(Nc1ccc(nc1)Oc1cccnc1)N(C1CCCCC1)[*:1]
Cc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1Cl C1CCC(C1)[*:1] Cc1ccc(cc1Cl)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
C#CCN(Cc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(Cc1ccc(cc1)SC(=O)N(C)C)[*:1]
C#CCN(Cc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 CN(C)C(=O)S[*:1] C#CCN(Cc1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(Cc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] CN(C)C(=O)Sc1ccc(cc1)CN([C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(OC)c(-c2cc(C(=O)NCC3CCN(S(C)(=O)=O)CC3)n(C)n2)c1 COc1ccc(OC)c(c1)[*:1] Cn1nc(cc1C(=O)NCC1CCN(CC1)S(C)(=O)=O)[*:1]
COc1ccc(OC)c(-c2cc(C(=O)NCC3CCN(S(C)(=O)=O)CC3)n(C)n2)c1 CS(=O)(=O)N1CCC(CC1)[*:1] COc1ccc(OC)c(c1)-c1cc(C(=O)NC[*:1])n(C)n1
CC(C)(O)C#Cc1ccc(CN2CCc3nncn3CC2)cc1 CC(C)(O)[*:1] C(#C[*:1])c1ccc(cc1)CN1CCc2nncn2CC1
CC(C)(O)C#Cc1ccc(CN2CCc3nncn3CC2)cc1 CC(C)(O)C#C[*:1] c1cc(ccc1CN1CCc2nncn2CC1)[*:1]
CC[C@@H](Oc1ccccc1)C(=O)N1C[C@H](C)O[C@H](C)C1 c1ccc(cc1)[*:1] CC[C@@H](O[*:1])C(=O)N1C[C@H](C)O[C@H](C)C1
COc1ccccc1[C@H]1C[C@H]1C(=O)NNC(=O)CSC CSC[*:1] COc1ccccc1[C@H]1C[C@H]1C(=O)NNC(=O)[*:1]
C[C@@H](O)CCNC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 C1CCC(C1)[*:1] C[C@@H](O)CCNC(=O)Nc1cccc(c1)S(=O)(=O)[*:1]
C[C@@H](O)CCNC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 C[C@@H](O)[*:1] O=C(NCC[*:1])Nc1cccc(c1)S(=O)(=O)C1CCCC1
C[C@@H](O)CCNC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 C[C@@H](O)CC[*:1] O=C(Nc1cccc(c1)S(=O)(=O)C1CCCC1)N[*:1]
C[C@@H](O)CCNC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 C[C@@H](O)C[*:1] O=C(NC[*:1])Nc1cccc(c1)S(=O)(=O)C1CCCC1
CC1CC[NH+](CCCNC(=O)NCc2ccc(Cl)nc2)CC1 Clc1ccc(cn1)[*:1] CC1CC[NH+](CCCNC(=O)NC[*:1])CC1
C[C@H](C(=O)NCc1ccccc1)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 c1ccc(cc1)C[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C1=[NH+]CC(C)(C)S1
C[C@H](C(=O)NCc1ccccc1)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 c1ccc(cc1)[*:1] C[C@H](C(=O)NC[*:1])N1CCN(CC1)C1=[NH+]CC(C)(C)S1
O=C(CNc1cccc(F)c1)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] O=C(CNc1cccc(F)c1)Nc1ccc(cc1)[*:1]
O=C(CNc1cccc(F)c1)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] O=C(CNc1cccc(F)c1)Nc1ccc(cc1)S[*:1]
O=C(CNc1cccc(F)c1)Nc1ccc(SC(F)F)cc1 Fc1cccc(c1)[*:1] O=C(CN[*:1])Nc1ccc(cc1)SC(F)F
c1ccc(SCCSc2ncnc3ccccc23)cc1 c1ccc(cc1)[*:1] c1ccc2c(ncnc2c1)SCCS[*:1]
C[NH+](C)CCCNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12 c1ccc(cc1)[*:1] C[NH+](C)CCCNC(=O)c1cc(nc2onc(-c3ccc(F)cc3)c12)[*:1]
C[NH+](C)CCCNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12 Fc1ccc(cc1)[*:1] C[NH+](C)CCCNC(=O)c1cc(nc2onc(c12)[*:1])-c1ccccc1
O=C(Cc1ccon1)Nc1cccc(C(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Cc1ccon1)Nc1cccc(c1)C(=O)[*:1]
O=C(Cc1ccon1)Nc1cccc(C(=O)c2ccccc2)c1 c1cc(no1)[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)c1ccccc1
O=C(Cc1ccon1)Nc1cccc(C(=O)c2ccccc2)c1 c1cc(C[*:1])no1 O=C(c1ccccc1)c1cccc(c1)NC(=O)[*:1]
CN(C[C@H](O)C(F)(F)F)c1ncccc1[N+](=O)[O-] FC(F)(F)[*:1] CN(C[C@H](O)[*:1])c1ncccc1[N+](=O)[O-]
CN(C[C@H](O)C(F)(F)F)c1ncccc1[N+](=O)[O-] O[C@H](C(F)(F)F)[*:1] CN(C[*:1])c1ncccc1[N+](=O)[O-]
CN(C[C@H](O)C(F)(F)F)c1ncccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C[C@H](O)C(F)(F)F)c1ncccc1[*:1]
Cc1cc(C(=O)[O-])ccc1N[C@H](C)c1cc(F)cc(F)c1 O=C([O-])[*:1] Cc1cc(ccc1N[C@H](C)c1cc(F)cc(F)c1)[*:1]
CC(C)c1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)N(CC(=O)NC1CC1)S(=O)(=O)[*:1]
CC(C)c1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccccc2)cc1 O=C(C[*:1])NC1CC1 CC(C)c1ccc(cc1)N(S(=O)(=O)c1ccccc1)[*:1]
CC(C)c1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccccc2)cc1 O=C(NC1CC1)[*:1] CC(C)c1ccc(cc1)N(C[*:1])S(=O)(=O)c1ccccc1
CC(C)c1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccccc2)cc1 CC(C)[*:1] O=C(CN(c1ccc(cc1)[*:1])S(=O)(=O)c1ccccc1)NC1CC1
CC(C)c1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccccc2)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)N(CC(=O)N[*:1])S(=O)(=O)c1ccccc1
c1cnc(N2CCC[C@H](C[NH2+]Cc3cnc4ccsc4c3)C2)nc1 c1cnc(nc1)[*:1] c1cc2ncc(cc2s1)C[NH2+]C[C@H]1CCCN(C1)[*:1]
CC[C@@H](C)NC(=O)[C@@H]1CC(c2cccc(OC)c2)=NO1 CC[C@@H](C)[*:1] COc1cccc(c1)C1C[C@H](ON=1)C(=O)N[*:1]
O=C(CCSc1nncn1-c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCSc1nncn1-c1ccccc1)N[*:1]
O=C(CCSc1nncn1-c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCSc1nncn1[*:1])Nc1ccccc1
CCn1/c(=N/C(=O)[C@H](C)OCC(F)(F)F)[nH]c2cc(Cl)ccc21 FC(F)(F)C[*:1] CCn1/c(=N/C(=O)[C@H](C)O[*:1])[nH]c2cc(Cl)ccc21
CCn1/c(=N/C(=O)[C@H](C)OCC(F)(F)F)[nH]c2cc(Cl)ccc21 FC(F)(F)[*:1] CCn1/c(=N/C(=O)[C@H](C)OC[*:1])[nH]c2cc(Cl)ccc21
CCn1/c(=N/C(=O)[C@H](C)OCC(F)(F)F)[nH]c2cc(Cl)ccc21 FC(F)(F)CO[*:1] CCn1/c(=N/C(=O)[C@H](C)[*:1])[nH]c2cc(Cl)ccc21
COc1cccc(Cn2c(=O)n(-c3ccccc3)c(=O)c3c2c2cc(C)ccc2n3C)c1 c1ccc(cc1)[*:1] COc1cccc(c1)Cn1c(=O)n(c(=O)c2c1c1cc(C)ccc1n2C)[*:1]
COc1cccc(Cn2c(=O)n(-c3ccccc3)c(=O)c3c2c2cc(C)ccc2n3C)c1 COc1cccc(c1)C[*:1] Cc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1[*:1])n2C
COc1cccc(Cn2c(=O)n(-c3ccccc3)c(=O)c3c2c2cc(C)ccc2n3C)c1 COc1cccc(c1)[*:1] Cc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1C[*:1])n2C
Cc1cc(NC(=O)N(C)C[C@@H](O)C(F)(F)F)n(C)n1 O[C@@H](C(F)(F)F)[*:1] Cc1cc(NC(=O)N(C)C[*:1])n(C)n1
Cc1cc(NC(=O)N(C)C[C@@H](O)C(F)(F)F)n(C)n1 FC(F)(F)[*:1] Cc1cc(NC(=O)N(C)C[C@@H](O)[*:1])n(C)n1
CCCCOC(=O)[C@H](C)NC(=O)c1cc2c([nH]c1=O)CCCC2 CCC[*:1] C[C@H](NC(=O)c1cc2CCCCc2[nH]c1=O)C(=O)OC[*:1]
CCCCOC(=O)[C@H](C)NC(=O)c1cc2c([nH]c1=O)CCCC2 CCCCOC(=O)[*:1] C[C@H](NC(=O)c1cc2CCCCc2[nH]c1=O)[*:1]
CCCCOC(=O)[C@H](C)NC(=O)c1cc2c([nH]c1=O)CCCC2 CCCC[*:1] C[C@H](NC(=O)c1cc2CCCCc2[nH]c1=O)C(=O)O[*:1]
CCCn1cncc1[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCCn1cncc1[C@@H]1CC[NH2+]C[C@H]1[*:1]
CCCn1cncc1[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1 CCC[*:1] c1ccc(cc1)[C@H]1C[NH2+]CC[C@H]1c1cncn1[*:1]
C[C@@]1(C[NH2+]CCc2ccsc2)CCCO1 c1cc(cs1)[*:1] C[C@]1(CCCO1)C[NH2+]CC[*:1]
C[C@@H](CCCO)[NH2+][C@@H]1CCC[C@@H]1C OCCC[*:1] C[C@H]1CCC[C@H]1[NH2+][C@H](C)[*:1]
C[C@@H](CCCO)[NH2+][C@@H]1CCC[C@@H]1C OCC[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCC[C@@H]1C
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](O)c2ccc(Cl)cc2)C1 CC(C)(C)[*:1] O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCC[C@H](C1)C(=O)NC[C@H](O)[*:1]
O[C@H](COCc1ccccc1)CSc1ccc2ccccc2n1 c1ccc(cc1)[*:1] O[C@H](COC[*:1])CSc1ccc2ccccc2n1
O[C@H](COCc1ccccc1)CSc1ccc2ccccc2n1 c1ccc(cc1)C[*:1] O[C@H](CO[*:1])CSc1ccc2ccccc2n1
CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@@H]2C2CC2)c1 C1CC1[*:1] CN(C)C(=O)c1cccc(c1)C(=O)N1CCOC[C@H]1[*:1]
CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@@H]2C2CC2)c1 CN(C)C(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCOC[C@@H]1C1CC1
COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2Cc2ccccc2)ccc1O c1ccc(cc1)C[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)c2ccc(C)o2)=C([O-])C(=O)N1[*:1]
COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2Cc2ccccc2)ccc1O Cc1ccc(o1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccccc1
COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2Cc2ccccc2)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)c2ccc(C)o2)=C([O-])C(=O)N1C[*:1]
COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2Cc2ccccc2)ccc1O Cc1ccc(o1)C(=O)[*:1] COc1cc(ccc1O)[C@H]1C(=C([O-])C(=O)N1Cc1ccccc1)[*:1]
COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2Cc2ccccc2)ccc1O COc1cc(ccc1O)[*:1] Cc1ccc(o1)C(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1[*:1]
C[C@H]1Sc2ccc(C(=O)OCCc3cccnc3)cc2NC1=O c1cncc(c1)C[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)OC[*:1]
C[C@H]1Sc2ccc(C(=O)OCCc3cccnc3)cc2NC1=O c1cncc(c1)[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)OCC[*:1]
COC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 COC[C@@H](C)N[*:1] O=C([O-])c1cc(ccc1[N+](=O)[O-])[*:1]
COC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 COC[C@@H](C)[*:1] O=C([O-])c1cc(ccc1[N+](=O)[O-])N[*:1]
COC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 O=[N+]([O-])[*:1] COC[C@@H](C)Nc1ccc(c(c1)C(=O)[O-])[*:1]
COC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 COC[*:1] C[C@@H](Nc1ccc(c(c1)C(=O)[O-])[N+](=O)[O-])[*:1]
COC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 O=C([O-])[*:1] COC[C@@H](C)Nc1ccc(c(c1)[*:1])[N+](=O)[O-]
C/C(=C1/SC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(O)cc1 FC(F)(F)[*:1] C/C(=C1/SC(=O)N(C1=O)c1cccc(c1)[*:1])c1ccc(O)cc1
C/C(=C1/SC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CC(=C1SC(=O)N(C1=O)c1cccc(c1)C(F)(F)F)[*:1]
CC(C)c1cc(C(=O)NCCC(=O)NCc2ccncc2)n(C)n1 c1cc(ccn1)[*:1] CC(C)c1cc(C(=O)NCCC(=O)NC[*:1])n(C)n1
CC(C)c1cc(C(=O)NCCC(=O)NCc2ccncc2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)NCCC(=O)NCc1ccncc1)[*:1]
CC(C)c1cc(C(=O)NCCC(=O)NCc2ccncc2)n(C)n1 c1cc(ccn1)C[*:1] CC(C)c1cc(C(=O)NCCC(=O)N[*:1])n(C)n1
COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CS(=O)(=O)C2 COc1ccc(Cl)cc1[*:1] Cc1ccc(c(C)c1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)[*:1]
COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CS(=O)(=O)C2 Cc1ccc(c(C)c1)[*:1] COc1ccc(Cl)cc1C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
CCC[NH2+][C@H](CSC(C)(C)C)[C@@H]1CCc2cccnc21 CC(C)(C)[*:1] CCC[NH2+][C@H](CS[*:1])[C@@H]1CCc2cccnc21
CCC[NH2+][C@H](CSC(C)(C)C)[C@@H]1CCc2cccnc21 CC(C)(C)SC[*:1] CCC[NH2+][C@H]([C@@H]1CCc2cccnc21)[*:1]
CCC[NH2+][C@H](CSC(C)(C)C)[C@@H]1CCc2cccnc21 CC(C)(C)S[*:1] CCC[NH2+][C@H](C[*:1])[C@@H]1CCc2cccnc21
CCC[NH2+][C@H](CSC(C)(C)C)[C@@H]1CCc2cccnc21 CCC[*:1] CC(C)(C)SC[C@@H]([NH2+][*:1])[C@@H]1CCc2cccnc21
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])Nc1ccc(Cl)c(c1)[*:1]
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 O=[N+]([O-])[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
COc1ccc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)N1C(=O)CS[C@@H]1[*:1]
COc1ccc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1SCC(=O)N1c1c(C)n(C)n(c1=O)[*:1]
Cc1c(C(=O)Nc2ccc(Br)cn2)c(=O)oc2ccccc12 Brc1ccc(nc1)[*:1] Cc1c(C(=O)N[*:1])c(=O)oc2ccccc12
Cc1sc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O
CN(Cc1nc(-c2ccccn2)no1)C[C@H](O)c1ccccc1 c1ccc(nc1)[*:1] CN(Cc1nc(no1)[*:1])C[C@H](O)c1ccccc1
CN(Cc1nc(-c2ccccn2)no1)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1nc(no1)-c1ccccn1)C[C@H](O)[*:1]
Cc1ccc(-c2csc(NC(=O)c3ccc4nncn4c3)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc2nncn2c1
C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(F)c(c1)[*:1]
Cc1ccc([C@H](C)NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[*:1]
CNc1cc(CN2C[C@@H](C)CC2=O)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1cc(ccc1[*:1])CN1C[C@@H](C)CC1=O
Cn1cc([C@H]2CC(=O)NC(=O)[C@H]2Cc2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)[C@H]1CC(=O)NC(=O)[C@H]1C[*:1]
Cn1cc([C@H]2CC(=O)NC(=O)[C@H]2Cc2ccccc2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)[C@H]1CC(=O)NC(=O)[C@@H]1[*:1]
Cn1cc([C@H]2CC(=O)NC(=O)[C@H]2Cc2ccccc2)cn1 Cn1cc(cn1)[*:1] O=C1C[C@@H]([C@H](Cc2ccccc2)C(=O)N1)[*:1]
N#Cc1ccc(NC(=O)C(=O)NCC2CCC2)cc1 C1CC(C1)C[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)N[*:1]
N#Cc1ccc(NC(=O)C(=O)NCC2CCC2)cc1 C1CC(C1)[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)NC[*:1]
Clc1snnc1C[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Clc1snnc1C[NH+]1CCN(CC1)[*:1]
Clc1snnc1C[NH+]1CCN(c2ccccc2)CC1 Clc1snnc1[*:1] c1ccc(cc1)N1CC[NH+](CC1)C[*:1]
N#Cc1cccnc1NCc1ccnc(OCC(F)F)c1 FC(F)CO[*:1] N#Cc1cccnc1NCc1ccnc(c1)[*:1]
N#Cc1cccnc1NCc1ccnc(OCC(F)F)c1 FC(F)C[*:1] N#Cc1cccnc1NCc1ccnc(c1)O[*:1]
N#Cc1cccnc1NCc1ccnc(OCC(F)F)c1 FC(F)[*:1] N#Cc1cccnc1NCc1ccnc(c1)OC[*:1]
O=C1COCCN1C/C=C/CCl ClCC=C[*:1] O=C1COCCN1C[*:1]
Cn1cc(CN2CCSC(C)(C)C2)c(-c2ccncc2)n1 c1cc(ccn1)[*:1] Cn1cc(CN2CCSC(C)(C)C2)c(n1)[*:1]
COc1cccc([C@H]2CCCN2C(=O)Nc2cc(Cl)ccc2N(C)C)c1 COc1cccc(c1)[*:1] CN(C)c1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1[*:1]
COc1cccc([C@H]2CCCN2C(=O)Nc2cc(Cl)ccc2N(C)C)c1 CN(C)[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1[*:1]
CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H]1CCCN1C(=O)c1cccc(C)c1 O=C(NC1CCCC1)[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)c1cccc(C)c1)SC[*:1]
CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H]1CCCN1C(=O)c1cccc(C)c1 O=C(C[*:1])NC1CCCC1 CCn1c(nnc1[C@H]1CCCN1C(=O)c1cccc(C)c1)S[*:1]
CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H]1CCCN1C(=O)c1cccc(C)c1 O=C(CS[*:1])NC1CCCC1 CCn1c(nnc1[*:1])[C@H]1CCCN1C(=O)c1cccc(C)c1
CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H]1CCCN1C(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)[*:1])SCC(=O)NC1CCCC1
CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H]1CCCN1C(=O)c1cccc(C)c1 C1CCC(C1)[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)c1cccc(C)c1)SCC(=O)N[*:1]
CCc1nn(C)cc1CNC(=O)Nc1cc(C)ccc1-n1cc(C)cn1 CCc1nn(C)cc1[*:1] Cc1ccc(c(c1)NC(=O)NC[*:1])-n1cc(C)cn1
CCc1nn(C)cc1CNC(=O)Nc1cc(C)ccc1-n1cc(C)cn1 Cc1cnn(c1)[*:1] CCc1nn(C)cc1CNC(=O)Nc1cc(C)ccc1[*:1]
CCN(CC)c1ccc(-c2nnc(SCc3cn4ccccc4n3)o2)cc1 c1ccn2cc(nc2c1)[*:1] CCN(CC)c1ccc(cc1)-c1nnc(o1)SC[*:1]
CCN(CC)c1ccc(-c2nnc(SCc3cn4ccccc4n3)o2)cc1 CCN(CC)[*:1] c1ccn2cc(CSc3nnc(o3)-c3ccc(cc3)[*:1])nc2c1
CCc1ccc2nc(NC3=NCN(C[C@H]4CCCO4)CN3)nc(C)c2c1 C1CO[C@H](C1)[*:1] CCc1ccc2nc(nc(C)c2c1)NC1=NCN(CN1)C[*:1]
CCc1ccc2nc(NC3=NCN(C[C@H]4CCCO4)CN3)nc(C)c2c1 C1CO[C@H](C1)C[*:1] CCc1ccc2nc(nc(C)c2c1)NC1=NCN(CN1)[*:1]
COc1ccc(C)c2sc(NC(=O)CCSc3ccccc3)nc12 c1ccc(cc1)[*:1] COc1ccc(C)c2sc(nc12)NC(=O)CCS[*:1]
COc1ccc(C)c2sc(NC(=O)CCSc3ccccc3)nc12 c1ccc(cc1)SC[*:1] COc1ccc(C)c2sc(nc12)NC(=O)C[*:1]
COc1ccc(C)c2sc(NC(=O)CCSc3ccccc3)nc12 c1ccc(cc1)S[*:1] COc1ccc(C)c2sc(nc12)NC(=O)CC[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 CN(C)S(=O)(=O)[*:1] O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 c1ccc2c(n[nH]c2c1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)COC(=O)[*:1]
O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1cccnc1N1CCCC1 C1CCN(C1)[*:1] O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1cccnc1[*:1]
O=C([O-])c1ccc(CSc2ccc(Cl)cn2)nc1 O=C([O-])[*:1] Clc1ccc(nc1)SCc1ccc(cn1)[*:1]
CO[C@H](C)C(=O)Nc1ccccc1-n1ncc2c(=O)[nH]cnc21 CO[C@H](C)[*:1] O=C(Nc1ccccc1-n1ncc2c(=O)[nH]cnc21)[*:1]
CO[C@H](C)C(=O)Nc1ccccc1-n1ncc2c(=O)[nH]cnc21 CO[C@H](C)C(=O)N[*:1] O=c1[nH]cnc2c1cnn2-c1ccccc1[*:1]
CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCOCC3)CC2=O)cc1 O=C(N1CCOCC1)[*:1] CC(=O)Nc1ccc(cc1)N1C[C@H](CC1=O)[*:1]
CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCOCC3)CC2=O)cc1 CC(=O)N[*:1] O=C([C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1])N1CCOCC1
Cc1cccc(CN2CCC[C@@](O)(C[NH2+]CC[NH+]3CCCCC3)C2=O)c1 Cc1cccc(c1)[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]CC[NH+]1CCCCC1)C[*:1]
Cc1cccc(CN2CCC[C@@](O)(C[NH2+]CC[NH+]3CCCCC3)C2=O)c1 Cc1cccc(c1)C[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]CC[NH+]1CCCCC1)[*:1]
CCN(CC)C(=O)c1cccc(N/C=C(/C#N)C(=O)OC)c1 CCN(CC)C(=O)[*:1] COC(=O)/C(C#N)=C\Nc1cccc(c1)[*:1]
CCN(CC)C(=O)c1cccc(N/C=C(/C#N)C(=O)OC)c1 COC(=O)[*:1] CCN(CC)C(=O)c1cccc(c1)NC=C(C#N)[*:1]
O=C(NCc1ccnc(OCc2ccccc2)c1)N[C@@H]1CCC[C@@H]1CO c1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)OC[*:1])N[C@@H]1CCC[C@@H]1CO
O=C(NCc1ccnc(OCc2ccccc2)c1)N[C@@H]1CCC[C@@H]1CO c1ccc(cc1)C[*:1] O=C(NCc1ccnc(c1)O[*:1])N[C@@H]1CCC[C@@H]1CO
O=C(NCc1ccnc(OCc2ccccc2)c1)N[C@@H]1CCC[C@@H]1CO c1ccc(cc1)CO[*:1] O=C(NCc1ccnc(c1)[*:1])N[C@@H]1CCC[C@@H]1CO
Cc1cccc(C(C)C)c1NC(=O)NCCc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1NC(=O)NCC[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)NCCc1cccc(F)c1 CC(C)[*:1] Cc1cccc(c1NC(=O)NCCc1cccc(F)c1)[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)OC[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)O[*:1]
Cc1cc(F)cc(C(=O)NCC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cc(F)cc(c1)C(=O)NC[*:1]
Cc1cc(F)cc(C(=O)NCC(C)(C)C)c1 CC(C)(C)C[*:1] Cc1cc(F)cc(c1)C(=O)N[*:1]
COCCn1cc(NC(=O)C(=O)N(C)Cc2ccc(Cl)s2)cn1 COCC[*:1] CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cnn(c1)[*:1]
COCCn1cc(NC(=O)C(=O)N(C)Cc2ccc(Cl)s2)cn1 Clc1ccc(s1)[*:1] COCCn1cc(cn1)NC(=O)C(=O)N(C)C[*:1]
COCCn1cc(NC(=O)C(=O)N(C)Cc2ccc(Cl)s2)cn1 Clc1ccc(C[*:1])s1 COCCn1cc(cn1)NC(=O)C(=O)N(C)[*:1]
COCCn1cc(NC(=O)C(=O)N(C)Cc2ccc(Cl)s2)cn1 COC[*:1] CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cnn(c1)C[*:1]
COc1cc(/C=C/C(=O)NC2CCCC2)ccc1OC(F)F FC(F)O[*:1] COc1cc(/C=C/C(=O)NC2CCCC2)ccc1[*:1]
COc1cc(/C=C/C(=O)NC2CCCC2)ccc1OC(F)F FC(F)[*:1] COc1cc(/C=C/C(=O)NC2CCCC2)ccc1O[*:1]
COc1cc(/C=C/C(=O)NC2CCCC2)ccc1OC(F)F C1CCC(C1)[*:1] COc1cc(/C=C/C(=O)N[*:1])ccc1OC(F)F
COc1ccc([C@H](O)[C@@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1 COc1ccc(cc1)[*:1] Cc1nc(C)c(CC(=O)N[C@H](C)[C@@H](O)[*:1])c(=O)[nH]1
CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4nc(-c5ccccc5OC)oc4C)CC3)c2c1 COc1ccccc1[*:1] CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC3)Cc3nc(oc3C)[*:1])c2c1
CC(C)c1ccc(C(=O)N(C)CCS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] CC(C)c1ccc(cc1)C(=O)N(C)C[*:1]
CC(C)c1ccc(C(=O)N(C)CCS(C)(=O)=O)cc1 CC(C)[*:1] CN(CCS(C)(=O)=O)C(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(C(=O)N(C)CCS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CC(C)c1ccc(cc1)C(=O)N(C)CC[*:1]
CC(C)c1ccc(C(=O)N(C)CCS(C)(=O)=O)cc1 CS(=O)(=O)CC[*:1] CC(C)c1ccc(cc1)C(=O)N(C)[*:1]
O=C(c1ccccc1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 C1CN(CCO1)[*:1] O=C(c1ccccc1C(F)(F)F)N1CCN(CC1)c1cc(ncn1)[*:1]
O=C(c1ccccc1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 FC(F)(F)c1ccccc1[*:1] O=C(N1CCN(CC1)c1cc(ncn1)N1CCOCC1)[*:1]
O=C(c1ccccc1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 FC(F)(F)[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)c1cc(ncn1)N1CCOCC1
CC(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] CC(C)C(=O)Nc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)[*:1]
CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)S(=O)(=O)Cc1ccccc1
CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] CC(C)c1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)C[*:1]
CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)Cc1ccccc1
Cc1ccc(OCCNS(=O)(=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)OCCNS(=O)(=O)[*:1]
CN1CCO[C@H](C[NH2+]Cc2cncn2C2CC2)C1 C1CC1[*:1] CN1CCO[C@H](C[NH2+]Cc2cncn2[*:1])C1
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCCc1ncc(CC)s1 CCc1cnc(s1)[*:1] CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCC[*:1]
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCCc1ncc(CC)s1 CCc1cnc(C[*:1])s1 CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NC[*:1]
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCCc1ncc(CC)s1 CCC=C(C)[*:1] CCc1cnc(CCNC(=O)[C@@H]2CSCN2C(=O)[*:1])s1
Cc1ncsc1CCOC(=O)Cn1cnc2c(C)cccc2c1=O Cc1ncsc1C[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)OC[*:1]
Cc1ncsc1CCOC(=O)Cn1cnc2c(C)cccc2c1=O Cc1ncsc1[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)OCC[*:1]
Cc1ncsc1CCOC(=O)Cn1cnc2c(C)cccc2c1=O Cc1ncsc1CC[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)O[*:1]
Cc1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(Nc1ccccc1)c1ccc(cc1)NC(=O)[*:1]
Cc1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c(C)s1 c1ccc(cc1)[*:1] Cc1cc(C(=O)Nc2ccc(cc2)C(=O)N[*:1])c(C)s1
O=C(Cc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(C[*:1])N/N=C/c1ccc(Cl)cc1Cl
CC(C)c1nnsc1CN1C[C@@H](C(=O)[O-])[C@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CC(C)c1nnsc1CN1C[C@@H](C(=O)[O-])[C@H](C1)[*:1]
CC(C)c1nnsc1CN1C[C@@H](C(=O)[O-])[C@H](c2cccc(F)c2)C1 CC(C)c1nnsc1[*:1] O=C([O-])[C@@H]1CN(C[C@H]1c1cccc(F)c1)C[*:1]
CC(C)c1nnsc1CN1C[C@@H](C(=O)[O-])[C@H](c2cccc(F)c2)C1 CC(C)[*:1] O=C([O-])[C@@H]1CN(Cc2snnc2[*:1])C[C@H]1c1cccc(F)c1
CC(C)c1nnsc1CN1C[C@@H](C(=O)[O-])[C@H](c2cccc(F)c2)C1 O=C([O-])[*:1] CC(C)c1nnsc1CN1C[C@@H]([C@@H](C1)c1cccc(F)c1)[*:1]
CC(C)=C[C@H]1[C@@H](C(=O)N2CCC[C@@H](n3cc[nH+]c3C)C2)C1(C)C CC(C)=C[*:1] Cc1[nH+]ccn1[C@@H]1CCCN(C1)C(=O)[C@@H]1[C@@H](C1(C)C)[*:1]
O=C1N=C([O-])C[C@H]1N(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CC1 c1nnnn1[*:1] O=C1N=C([O-])C[C@H]1N(C(=O)Cc1ccc(cc1)[*:1])C1CC1
O=C1N=C([O-])C[C@H]1N(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CC1 C1CC1[*:1] O=C1N=C([O-])C[C@H]1N(C(=O)Cc1ccc(cc1)-n1cnnn1)[*:1]
COC(=O)c1sc(NC(=O)c2c[nH]c(=O)cc2C)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)c1c[nH]c(=O)cc1C
COC(=O)c1sc(NC(=O)c2c[nH]c(=O)cc2C)nc1C1CC1 COC(=O)[*:1] Cc1cc(=O)[nH]cc1C(=O)Nc1nc(c(s1)[*:1])C1CC1
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(c2ccccc21)[*:1]
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C1[C@H]2[C@H](C(=O)N1[*:1])C1c3ccccc3C2(c2ccccc21)[N+](=O)[O-]
Cc1ccc([C@](C)(O)CNc2cnn(C)c(=O)c2Cl)o1 Cc1ccc(o1)[*:1] Cn1ncc(NC[C@](C)(O)[*:1])c(Cl)c1=O
C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(Cl)cn2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(NC(=O)c2ccc(Cl)cn2)C1=O)[*:1]
C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(Cl)cn2)C1=O Clc1ccc(nc1)[*:1] C[C@]1(NC(=O)N(NC(=O)[*:1])C1=O)c1ccccc1
Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@H](C)[C@H]3C)cc1 Cc1ccc(cc1)[*:1] Cc1cc2c(C(=O)[C@H](C)[C@H]2C)n1S(=O)(=O)[*:1]
C=CCn1c(S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)nc2sccc2c1=O C=CC[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](C)Sc1nc2sccc2c(=O)n1[*:1]
COC[C@@H](C)Nc1ncnc(N2CC[NH+](Cc3ccccc3)CC2)c1N COC[C@@H](C)[*:1] Nc1c(ncnc1N1CC[NH+](CC1)Cc1ccccc1)N[*:1]
COC[C@@H](C)Nc1ncnc(N2CC[NH+](Cc3ccccc3)CC2)c1N COC[*:1] C[C@@H](Nc1ncnc(c1N)N1CC[NH+](CC1)Cc1ccccc1)[*:1]
COC[C@@H](C)Nc1ncnc(N2CC[NH+](Cc3ccccc3)CC2)c1N c1ccc(cc1)C[*:1] COC[C@@H](C)Nc1ncnc(c1N)N1CC[NH+](CC1)[*:1]
COC[C@@H](C)Nc1ncnc(N2CC[NH+](Cc3ccccc3)CC2)c1N c1ccc(cc1)[*:1] COC[C@@H](C)Nc1ncnc(c1N)N1CC[NH+](CC1)C[*:1]
COC[C@@H](C)Nc1ncnc(N2CC[NH+](Cc3ccccc3)CC2)c1N COC[C@@H](C)N[*:1] Nc1c(ncnc1[*:1])N1CC[NH+](CC1)Cc1ccccc1
COC(=O)N1CCC(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 Cc1ccc(cc1C)[*:1] COC(=O)N1CCC(CC1)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
CN(C)S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)C[*:1] CN(C)S(=O)(=O)Nc1cccc(c1)O[*:1]
CN(C)S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)[*:1] CN(C)S(=O)(=O)Nc1cccc(c1)OC[*:1]
CN(C)S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] CN(C)S(=O)(=O)Nc1cccc(c1)[*:1]
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1OC(C)C CC(C)O[*:1] Cc1ccc(cc1C(=O)Nc1cc(F)ccc1[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1OC(C)C CC(C)[*:1] Cc1ccc(cc1C(=O)Nc1cc(F)ccc1O[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1OC(C)C O=[N+]([O-])[*:1] Cc1ccc(cc1C(=O)Nc1cc(F)ccc1OC(C)C)[*:1]
N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 N#Cc1ccccc1[*:1] O=C(CO[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
Cc1cc(C)cc(C[S@](=O)CCC#N)c1 N#CC[*:1] Cc1cc(C)cc(c1)C[S@](=O)C[*:1]
Cc1cc(C)cc(C[S@](=O)CCC#N)c1 N#CCC[*:1] Cc1cc(C)cc(c1)C[S@](=O)[*:1]
CCOC(=O)c1ccc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)o1 CCOC(=O)[*:1] C[C@@H]1CN(Cc2ccc(o2)[*:1])C[C@H](O1)c1ccccc1
CCOC(=O)c1ccc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)o1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C2)[*:1])o1
CCc1nnsc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] CCc1nnsc1[*:1] CN(Cc1ccccc1[N+](=O)[O-])C(=O)[*:1]
CCc1nnsc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nnsc1C(=O)N(C)Cc1ccccc1[*:1]
CCOc1ccc2[n-]c([C@H](O)C[NH3+])nc2n1 CCO[*:1] [NH3+]C[C@@H](O)c1nc2nc(ccc2[n-]1)[*:1]
CCN(CC)S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 C1CCN(C1)[*:1] CCN(CC)S(=O)(=O)NCc1ccc([nH+]c1)[*:1]
O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(CCO)CC1 c1ccc(cc1)[*:1] O=C(c1cc([nH]n1)[*:1])N1CCN(CCO)CC1
O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN(CCO)CC1 OCC[*:1] O=C(c1cc([nH]n1)-c1ccccc1)N1CCN(CC1)[*:1]
CCC[C@@H](C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)c1ccccc1 CCC[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@@H](c1ccccc1)[*:1]
CCC[C@@H](C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CC(C)c1nccn1Cc1cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)n[nH]1 CC(C)c1nccn1[*:1] O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cc(C[*:1])[nH]n1
CC(C)c1nccn1Cc1cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)n[nH]1 FC(F)(F)[*:1] CC(C)c1nccn1Cc1cc(n[nH]1)C(=O)N[C@@H](c1cccnc1)[*:1]
CC(C)c1nccn1Cc1cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)n[nH]1 c1cncc(c1)[*:1] CC(C)c1nccn1Cc1cc(n[nH]1)C(=O)N[C@@H](C(F)(F)F)[*:1]
CC(C)c1nccn1Cc1cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)n[nH]1 CC(C)[*:1] O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cc(Cn2ccnc2[*:1])[nH]n1
CC(C)c1nccn1Cc1cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)n[nH]1 CC(C)c1nccn1C[*:1] O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cc([nH]n1)[*:1]
Cc1cccc2nc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cn12 c1cn2cc(nc2s1)[*:1] Cc1cccc2nc(cn12)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(OCC(=O)OCc2nncn2C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)OCC(=O)OCc1nncn1[*:1]
Cc1ccc(OCC(=O)OCc2nncn2C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])OCc1nncn1C1CC1
COC[C@H](NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1)c1ccco1 CS(=O)(=O)[*:1] COC[C@H](NC(=O)Nc1ccc(C)c(c1)[*:1])c1ccco1
COC[C@H](NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1)c1ccco1 COC[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[C@H](c1ccco1)[*:1]
COC[C@H](NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1)c1ccco1 c1coc(c1)[*:1] COC[C@H](NC(=O)Nc1ccc(C)c(c1)S(C)(=O)=O)[*:1]
C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 O=C(N1CCCC1)[*:1] C[C@H](N1CCN(CC1)C(=O)Nc1ccc(F)c(C#N)c1)[*:1]
C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 C[C@H](C(=O)N1CCCC1)[*:1] N#Cc1cc(ccc1F)NC(=O)N1CCN(CC1)[*:1]
C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 N#Cc1cc(ccc1F)[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)N[*:1]
CC(=O)Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1 CC(=O)O[*:1] CC(=O)Oc1ccc(cc1)C(C)(c1ccccc1)c1ccc(cc1)[*:1]
CC(=O)Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(C)=O)cc2)cc1 c1ccc(cc1)[*:1] CC(=O)Oc1ccc(cc1)C(C)(c1ccc(cc1)OC(C)=O)[*:1]
CCN(C(=O)c1cccc(NC(=S)NC(=O)c2ccc(C)cc2)c1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1cccc(c1)NC(=S)NC(=O)c1ccc(C)cc1)[*:1]
CCN(C(=O)c1cccc(NC(=S)NC(=O)c2ccc(C)cc2)c1)c1ccccc1 Cc1ccc(cc1)[*:1] CCN(C(=O)c1cccc(c1)NC(=S)NC(=O)[*:1])c1ccccc1
C[C@@H](NC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)-c1nc2ccccc2o1)[*:1]
C[C@@H](NC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccncc1 c1ccc2oc(nc2c1)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccncc1
CNC(=O)c1cccc(NC(=O)NC[C@H](O)c2ccco2)c1C c1coc(c1)[*:1] CNC(=O)c1cccc(NC(=O)NC[C@H](O)[*:1])c1C
CNC(=O)c1cccc(NC(=O)NC[C@H](O)c2ccco2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)NC[C@H](O)c1ccco1
COc1ccc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1O O=C([O-])[*:1] COc1ccc(/C=C2\CCc3oc(c(C)c3C2=O)[*:1])cc1O
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c(C)c1 c1ccc2c(c[nH]c2c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)CCC[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CCCc1c[nH]c2ccccc12)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c(C)c1 c1ccc2c(c[nH]c2c1)C[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)CC[*:1]
CC[C@H]1C(=O)NCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC[C@H]1C(=O)NCCN1C(=O)Cc1ccc(cc1)[*:1]
C[C@@H](CCl)CS(=O)(=O)NCCS(C)(=O)=O C[C@@H](CCl)[*:1] CS(=O)(=O)CCNS(=O)(=O)C[*:1]
C[C@@H](CCl)CS(=O)(=O)NCCS(C)(=O)=O C[C@@H](CCl)C[*:1] CS(=O)(=O)CCNS(=O)(=O)[*:1]
C[C@@H](CCl)CS(=O)(=O)NCCS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@@H](CCl)CS(=O)(=O)NC[*:1]
C[C@@H](CCl)CS(=O)(=O)NCCS(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](CCl)CS(=O)(=O)NCC[*:1]
C[C@@H]1NC(=O)c2ccccc2N(CC(=O)Nc2nc3ccccc3s2)C1=O c1ccc2sc(nc2c1)[*:1] C[C@@H]1NC(=O)c2ccccc2N(CC(=O)N[*:1])C1=O
C[C@@H](CNc1ccc(-c2nc(C3CC3)no2)c[nH+]1)Oc1cccnc1 c1cncc(c1)O[*:1] C[C@@H](CNc1ccc(c[nH+]1)-c1nc(no1)C1CC1)[*:1]
C[C@@H](CNc1ccc(-c2nc(C3CC3)no2)c[nH+]1)Oc1cccnc1 c1cncc(c1)[*:1] C[C@@H](CNc1ccc(c[nH+]1)-c1nc(no1)C1CC1)O[*:1]
C[C@@H](CNc1ccc(-c2nc(C3CC3)no2)c[nH+]1)Oc1cccnc1 C1CC1[*:1] C[C@@H](CNc1ccc(c[nH+]1)-c1nc(no1)[*:1])Oc1cccnc1
C[C@@H](CNc1ccc(-c2nc(C3CC3)no2)c[nH+]1)Oc1cccnc1 C1CC1c1noc(n1)[*:1] C[C@@H](CNc1ccc(c[nH+]1)[*:1])Oc1cccnc1
COc1ccccc1O[C@@H](C)CNC(=O)c1ccccc1C(F)(F)F COc1ccccc1[*:1] C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)O[*:1]
COc1ccccc1O[C@@H](C)CNC(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] COc1ccccc1O[C@@H](C)CNC(=O)c1ccccc1[*:1]
COc1cccc([C@H](CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)Cc1cc(Cl)c2OCCCOc2c1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)C1 O=C(N1CCCC1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)C(=O)c1cn(C[*:1])c2ccccc12
C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)C1 O=C(C[*:1])N1CCCC1 C[C@@H]1C[C@@H](C)CN(C1)C(=O)C(=O)c1cn(c2ccccc12)[*:1]
CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 CNC(=O)[*:1] O=S(=O)(c1cc(ccc1Cl)[*:1])N1CCCC1
CC[S@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C)nn(c1C)[*:1]
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Br)cc(c1[O-])[*:1]
COCCCOC1CN(C(=O)NCc2ccccc2Br)C1 COCCCO[*:1] O=C(NCc1ccccc1Br)N1CC(C1)[*:1]
COCCCOC1CN(C(=O)NCc2ccccc2Br)C1 COCC[*:1] O=C(NCc1ccccc1Br)N1CC(C1)OC[*:1]
COCCCOC1CN(C(=O)NCc2ccccc2Br)C1 COC[*:1] O=C(NCc1ccccc1Br)N1CC(C1)OCC[*:1]
COCCCOC1CN(C(=O)NCc2ccccc2Br)C1 COCCC[*:1] O=C(NCc1ccccc1Br)N1CC(C1)O[*:1]
COCCCOC1CN(C(=O)NCc2ccccc2Br)C1 Brc1ccccc1[*:1] COCCCOC1CN(C1)C(=O)NC[*:1]
CC(C)(C)c1ccc([S@](=O)Cc2cc(Cl)ccc2N)cc1 CC(C)(C)[*:1] Nc1ccc(Cl)cc1C[S@@](=O)c1ccc(cc1)[*:1]
C[C@H](Oc1ccc(Cl)cc1)C(=O)NC(C)(C)C#N CC(C)(C#N)[*:1] C[C@H](Oc1ccc(Cl)cc1)C(=O)N[*:1]
O=C1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cccs3)CC2)N1 O=C1CC[C@@H](N1)[*:1] O=C([C@H]1C[C@H]1c1cccs1)N1CCN(CC1)C(=O)[*:1]
O=C1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cccs3)CC2)N1 c1csc(c1)[*:1] O=C1CC[C@H](N1)C(=O)N1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
C[C@@H](NC(=O)c1nccnc1C(N)=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@@H](NC(=O)c1nccnc1C(N)=O)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1nccnc1C(N)=O)c1ccc(C(C)(C)C)cc1 NC(=O)[*:1] C[C@@H](NC(=O)c1nccnc1[*:1])c1ccc(cc1)C(C)(C)C
Nc1cc(N)nc(SCC#Cc2ccccc2)n1 c1ccc(cc1)[*:1] Nc1cc(N)nc(n1)SCC#C[*:1]
C[C@H](C(=O)[O-])[NH+]1CCN(C(=O)N[C@H]2CCOC2)CC1 O=C([O-])[*:1] C[C@H]([NH+]1CCN(CC1)C(=O)N[C@H]1CCOC1)[*:1]
C[C@H](C(=O)[O-])[NH+]1CCN(C(=O)N[C@H]2CCOC2)CC1 C1C[C@@H](CO1)[*:1] C[C@H](C(=O)[O-])[NH+]1CCN(CC1)C(=O)N[*:1]
Cc1nc2ccccc2c2c(NC(=O)c3ccco3)c3ccccc3n12 O=C(N[*:1])c1ccco1 Cc1nc2ccccc2c2c(c3ccccc3n12)[*:1]
Cc1nc2ccccc2c2c(NC(=O)c3ccco3)c3ccccc3n12 c1coc(c1)[*:1] Cc1nc2ccccc2c2c(NC(=O)[*:1])c3ccccc3n12
O=C(Nc1ccc(F)cc1F)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)/C=C/c1ccccc1
O=C(Nc1ccc(F)cc1F)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1F)c1ccc(cc1)NS(=O)(=O)C=C[*:1]
O=C(Nc1ccc(F)cc1F)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 C(=C[*:1])c1ccccc1 O=C(Nc1ccc(F)cc1F)c1ccc(cc1)NS(=O)(=O)[*:1]
CCCS(=O)(=O)CC(=O)N(C)[C@H](C)Cc1ccsc1 c1cc(cs1)C[*:1] CCCS(=O)(=O)CC(=O)N(C)[C@H](C)[*:1]
CCCS(=O)(=O)CC(=O)N(C)[C@H](C)Cc1ccsc1 CCC[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)CS(=O)(=O)[*:1]
CCCS(=O)(=O)CC(=O)N(C)[C@H](C)Cc1ccsc1 CCCS(=O)(=O)[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)C[*:1]
CCCS(=O)(=O)CC(=O)N(C)[C@H](C)Cc1ccsc1 c1cc(cs1)[*:1] CCCS(=O)(=O)CC(=O)N(C)[C@H](C)C[*:1]
Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccncc1)CC(O)=N2 c1cc(ccn1)[*:1] Cc1nn(-c2ccc3nnc(C)n3n2)c2N=C(O)C[C@@H](c12)[*:1]
C[S@](=O)c1ccc(NC(=O)C(=O)NCC[C@H]2CCCO2)cc1F C1CO[C@H](C1)CC[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)N[*:1]
C[S@](=O)c1ccc(NC(=O)C(=O)NCC[C@H]2CCCO2)cc1F C1CO[C@H](C1)C[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)NC[*:1]
C[S@](=O)c1ccc(NC(=O)C(=O)NCC[C@H]2CCCO2)cc1F C[S@](=O)[*:1] O=C(NCC[C@H]1CCCO1)C(=O)Nc1ccc(c(F)c1)[*:1]
C[S@](=O)c1ccc(NC(=O)C(=O)NCC[C@H]2CCCO2)cc1F C1CO[C@H](C1)[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)NCC[*:1]
O=C(COc1ccc(Br)cc1)Nc1ccc(NC(=O)c2cccs2)cc1 Brc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccc(cc1)NC(=O)c1cccs1
O=C(COc1ccc(Br)cc1)Nc1ccc(NC(=O)c2cccs2)cc1 O=C(N[*:1])c1cccs1 O=C(COc1ccc(Br)cc1)Nc1ccc(cc1)[*:1]
O=C(COc1ccc(Br)cc1)Nc1ccc(NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] O=C(COc1ccc(Br)cc1)Nc1ccc(cc1)NC(=O)[*:1]
O=C(COc1ccc(Br)cc1)Nc1ccc(NC(=O)c2cccs2)cc1 Brc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)NC(=O)c1cccs1
O=C(c1cn(C[C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)nn1)N1CCCC1 Fc1ccccc1[*:1] O=C(c1cn(C[C@H]2CCCN(C2)S(=O)(=O)[*:1])nn1)N1CCCC1
O=C(c1cn(C[C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)nn1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(c1ccccc1F)N1CCC[C@@H](C1)Cn1cc(nn1)[*:1]
CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CCCCC2)CC1 CC(C)(C)[*:1] O=C(C[NH+]1CCC(CC1)C[NH2+]C1CCCCC1)N[*:1]
CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CCCCC2)CC1 C1CCC(CC1)[NH2+][*:1] CC(C)(C)NC(=O)C[NH+]1CCC(CC1)C[*:1]
CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CCCCC2)CC1 C1CCC(CC1)[*:1] CC(C)(C)NC(=O)C[NH+]1CCC(CC1)C[NH2+][*:1]
CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CCCCC2)CC1 CC(C)(C)NC(=O)[*:1] C1CCC(CC1)[NH2+]CC1CC[NH+](CC1)C[*:1]
Cn1nc(C(=O)N2CCC[C@H](C(=O)N3CCCCC3)C2)c2c1CC[NH2+]C2 O=C(N1CCCCC1)[*:1] Cn1nc(C(=O)N2CCC[C@H](C2)[*:1])c2C[NH2+]CCc21
CCOc1c(Cl)cc(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1OC O=C1CCCCN1[*:1] CCOc1c(Cl)cc(cc1OC)C[NH+]1CCC(CC1)[*:1]
CCOc1c(Cl)cc(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])C[NH+]1CCC(CC1)N1CCCCC1=O
C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc2c(c1)OCCO2 Fc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc2OCCOc2c1
CO[C@H](CNCc1cc2ccccc2[nH]c1=O)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](CNCc1cc2ccccc2[nH]c1=O)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 CC(=O)c1cccc(c1)NC(=O)[C@@H](Cc1ccccc1)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)c1 CC(=O)[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc(c1)[*:1])c1ccco1
CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)c1 CC(=O)c1cccc(c1)[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N[*:1])c1ccco1
CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](C[*:1])NC(=O)c1ccco1
CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)c1 c1ccc(cc1)C[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](NC(=O)c1ccco1)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)c1 c1coc(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[*:1]
COc1ccc(CCN2C[C@H](C(=O)Nc3ccccc3C)CC2=O)cc1OC Cc1ccccc1[*:1] COc1ccc(cc1OC)CCN1C[C@@H](CC1=O)C(=O)N[*:1]
CCC[C@H](C)NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CCC[C@H](C)NC(=O)[C@H](C)N1CCN(CC1)C(=O)[*:1]
CCC[C@H](C)NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 CCC[C@H](C)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1ccco1
CCC[C@H](C)NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 CCC[*:1] C[C@@H](C(=O)N[C@@H](C)[*:1])N1CCN(CC1)C(=O)c1ccco1
O=C1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCN1 O=C1CN(CCN1)C(=O)[*:1] O=S(=O)(c1ccc(cc1)CC[*:1])N1CCCCCC1
NC(=O)[C@@H](CC(=O)N1CCCC1)[NH2+]C1CCCC1 NC(=O)[*:1] O=C(C[C@@H]([NH2+]C1CCCC1)[*:1])N1CCCC1
NC(=O)[C@@H](CC(=O)N1CCCC1)[NH2+]C1CCCC1 C1CCC(C1)[*:1] NC(=O)[C@@H](CC(=O)N1CCCC1)[NH2+][*:1]
CCCC(=O)N1CCC(c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)CC1 Fc1ccc(cc1)[*:1] CCCC(=O)N1CCC(CC1)c1ncc(C(=O)NC[*:1])c(C)n1
CCCC(=O)N1CCC(c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)CC1 Fc1ccc(cc1)C[*:1] CCCC(=O)N1CCC(CC1)c1ncc(C(=O)N[*:1])c(C)n1
CCCC(=O)N1CCC(c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)CC1 CCC[*:1] Cc1nc(ncc1C(=O)NCc1ccc(F)cc1)C1CCN(CC1)C(=O)[*:1]
CN(CCc1ccccc1)Cc1cccc(C#N)c1 c1ccc(cc1)[*:1] CN(CC[*:1])Cc1cccc(C#N)c1
COc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1F CC(C)[*:1] COc1ccc(cc1F)C(=O)Nc1nnc(s1)[*:1]
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccccc1[*:1]
CCn1c(C[NH+]2CCOCC2)nnc1SCC(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] CCn1c(C[NH+]2CCOCC2)nnc1SCC(=O)N[*:1]
Cc1cc(OCC(=O)NCCNC(=O)c2cccs2)ccc1Cl c1csc(c1)[*:1] Cc1cc(ccc1Cl)OCC(=O)NCCNC(=O)[*:1]
COc1ccccc1OCC(=O)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 COc1ccccc1O[*:1] O=C(C[*:1])Nc1ccc(cc1)Sc1nc2ccccc2[nH]1
COc1ccccc1OCC(=O)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccccc1OCC(=O)Nc1ccc(cc1)S[*:1]
COc1ccccc1OCC(=O)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 COc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc(cc1)Sc1nc2ccccc2[nH]1
Cn1cc(NCc2nnc(-c3ccccc3Br)o2)cn1 Cn1cc(cn1)[*:1] Brc1ccccc1-c1nnc(CN[*:1])o1
COc1cccc(CN2CCN(CCO)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 OCC[*:1] COc1cccc(c1)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CCCCc1nnc(NC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)s1 CCCC[*:1] CCOc1ccc(cc1)[C@@H]1CCCN1C(=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)s1 CCC[*:1] CCOc1ccc(cc1)[C@@H]1CCCN1C(=O)Nc1nnc(C[*:1])s1
CCCCc1nnc(NC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)s1 CCO[*:1] CCCCc1nnc(NC(=O)N2CCC[C@H]2c2ccc(cc2)[*:1])s1
O=C(Nc1nc2c(s1)C(=O)CCC2)c1cc([N+](=O)[O-])ccc1Br O=[N+]([O-])[*:1] O=C(Nc1nc2CCCC(=O)c2s1)c1cc(ccc1Br)[*:1]
CCOC(=O)C1CCN(C(=O)Cn2nc(C)n3c(cc4sccc43)c2=O)CC1 CCOC(=O)[*:1] Cc1nn(CC(=O)N2CCC(CC2)[*:1])c(=O)c2cc3sccc3n12
Nc1c(Oc2ccc(Br)cc2)ncnc1N1CCN(c2ccc(F)cc2)CC1 Brc1ccc(cc1)O[*:1] Nc1c(ncnc1[*:1])N1CCN(CC1)c1ccc(F)cc1
Nc1c(Oc2ccc(Br)cc2)ncnc1N1CCN(c2ccc(F)cc2)CC1 Brc1ccc(cc1)[*:1] Nc1c(ncnc1N1CCN(CC1)c1ccc(F)cc1)O[*:1]
Nc1c(Oc2ccc(Br)cc2)ncnc1N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Nc1c(ncnc1N1CCN(CC1)[*:1])Oc1ccc(Br)cc1
O=C(CCn1cncn1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 c1ncn(C[*:1])n1 O=C(C[*:1])N[C@@H]1CCCC[C@@H]1Cc1ccccc1
O=C(CCn1cncn1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1cncn1)N[C@@H]1CCCC[C@@H]1C[*:1]
O=C(CCn1cncn1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 c1ncn(CC[*:1])n1 O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)[*:1]
O=C(CCn1cncn1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCn1cncn1)N[C@@H]1CCCC[C@H]1[*:1]
O=C(CCn1cncn1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 c1ncn(n1)[*:1] O=C(CC[*:1])N[C@@H]1CCCC[C@@H]1Cc1ccccc1
CCCc1nnc(S)n1-c1ccc(C)c(Cl)c1 CCC[*:1] Cc1ccc(cc1Cl)-n1c(S)nnc1[*:1]
CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)c1nccnc1NC(=O)c1ccc(C)cc1 CC[C@@H](C)NC(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1nccnc1[*:1]
CC[C@@H](C)NC(=O)c1nccnc1NC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)c1nccnc1NC(=O)[*:1]
CC[C@@H](C)NC(=O)c1nccnc1NC(=O)c1ccc(C)cc1 CC[C@@H](C)[*:1] Cc1ccc(cc1)C(=O)Nc1nccnc1C(=O)N[*:1]
COc1cc(CNC(=O)N2CCC[C@H](NC(C)=O)C2)c2ccccc2n1 CC(=O)N[*:1] COc1cc(CNC(=O)N2CCC[C@H](C2)[*:1])c2ccccc2n1
CC(C)Oc1ccc([C@H](C)[NH2+][C@H](CO)c2ccc(Cl)cc2)cc1 CC(C)O[*:1] C[C@H]([NH2+][C@H](CO)c1ccc(Cl)cc1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@H](C)[NH2+][C@H](CO)c2ccc(Cl)cc2)cc1 CC(C)[*:1] C[C@H]([NH2+][C@H](CO)c1ccc(Cl)cc1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H](C)[NH2+][C@H](CO)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)[C@H](C)[NH2+][C@H](CO)[*:1]
C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC[C@](C)(O)c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC[C@](C)(O)[*:1])o1
C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC[C@](C)(O)c2ccc(F)cc2)o1 C[C@H]1C[C@H]1[*:1] C[C@](O)(CNC(=O)/C=C/c1ccc(o1)[*:1])c1ccc(F)cc1
O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)CC(F)(F)F FC(F)(F)[*:1] O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)C[*:1]
O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)CC(F)(F)F FC(F)(F)C[*:1] O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1OC)[*:1]
CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 CC(C)C[*:1] C[NH+](C)CCN(C(=O)N[C@H]1CCS(=O)(=O)C1)[*:1]
CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] C[NH+](C)CCN(C[*:1])C(=O)N[C@H]1CCS(=O)(=O)C1
CC(C)(O)CNC(=O)c1cc(Cl)cc(Cl)c1 CC(C)(O)C[*:1] O=C(N[*:1])c1cc(Cl)cc(Cl)c1
CC(C)(O)CNC(=O)c1cc(Cl)cc(Cl)c1 CC(C)(O)[*:1] O=C(NC[*:1])c1cc(Cl)cc(Cl)c1
Cc1cc(NC(=O)C[NH+](CC(C)C)C2CC2)no1 Cc1cc(no1)[*:1] CC(C)C[NH+](CC(=O)N[*:1])C1CC1
Cc1cc(NC(=O)C[NH+](CC(C)C)C2CC2)no1 CC(C)C[*:1] Cc1cc(no1)NC(=O)C[NH+](C1CC1)[*:1]
Cc1cc(NC(=O)C[NH+](CC(C)C)C2CC2)no1 C1CC1[*:1] Cc1cc(no1)NC(=O)C[NH+](CC(C)C)[*:1]
Cc1cc(NC(=O)C[NH+](CC(C)C)C2CC2)no1 CC(C)[*:1] Cc1cc(no1)NC(=O)C[NH+](C[*:1])C1CC1
COc1ccc(OC)c([C@H](O)c2cscc2Br)c1 Brc1cscc1[*:1] COc1ccc(OC)c(c1)[C@H](O)[*:1]
Cc1noc(C)c1CCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O Cc1noc(C)c1[*:1] C[C@H](C(=O)NCCC[*:1])N1C(=O)c2ccccc2C1=O
Cc1noc(C)c1CCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O Cc1noc(C)c1C[*:1] C[C@H](C(=O)NCC[*:1])N1C(=O)c2ccccc2C1=O
CCc1ccccc1NC(=S)NCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CCc1ccccc1NC(=S)NCc1ccc(cc1)[*:1]
CCN(C(=O)c1ccc2c(c1)SCC(=O)N2)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1ccc2NC(=O)CSc2c1)[*:1]
C[NH2+][C@](CSc1cccc(F)c1)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[NH2+][C@](CSc1cccc(F)c1)(C(=O)[O-])[*:1]
C[NH2+][C@](CSc1cccc(F)c1)(C(=O)[O-])c1ccccc1 Fc1cccc(c1)[*:1] C[NH2+][C@](CS[*:1])(C(=O)[O-])c1ccccc1
Cc1ccc(OCC(C)(C)C[NH2+]C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)OCC(C)(C)C[NH2+][*:1]
O=C1C[C@H](c2ccsc2)[C@@H](c2cccc(F)c2)C(=O)N1 c1cc(cs1)[*:1] O=C1C[C@H]([C@H](C(=O)N1)c1cccc(F)c1)[*:1]
COC[C@@H](O)CC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 COC[C@@H](O)[*:1] C[C@@H]([NH2+]CC[*:1])c1cc(F)c(F)c(F)c1
COC[C@@H](O)CC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 COC[*:1] C[C@@H]([NH2+]CC[C@H](O)[*:1])c1cc(F)c(F)c(F)c1
COC[C@@H](O)CC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 COC[C@@H](O)C[*:1] C[C@@H]([NH2+]C[*:1])c1cc(F)c(F)c(F)c1
O=C(c1ccccc1)N1CCC(C(=O)N2CCc3[nH]c(=O)ccc3C2)CC1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCc2[nH]c(=O)ccc2C1
COCCn1nc([C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)n(C2CC2)c1=O COC[*:1] Cn1cc(nn1)C(=O)N1CCC[C@H](C1)c1nn(C[*:1])c(=O)n1C1CC1
COCCn1nc([C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)n(C2CC2)c1=O C1CC1[*:1] COCCn1nc([C@@H]2CCCN(C2)C(=O)c2cn(C)nn2)n(c1=O)[*:1]
COCCn1nc([C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)n(C2CC2)c1=O Cn1cc(nn1)[*:1] COCCn1nc([C@@H]2CCCN(C2)C(=O)[*:1])n(c1=O)C1CC1
COCCn1nc([C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)n(C2CC2)c1=O COCC[*:1] Cn1cc(nn1)C(=O)N1CCC[C@H](C1)c1nn(c(=O)n1C1CC1)[*:1]
COc1cc(CCC(=O)Nc2ccnn2C(C)C)cc(OC)c1 CC(C)[*:1] COc1cc(cc(c1)OC)CCC(=O)Nc1ccnn1[*:1]
O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cccc2cc[nH]c12 c1cc(c2[nH]ccc2c1)[*:1] O=C(Nc1ccc(nc1)-n1cnc2ccccc21)[*:1]
O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cccc2cc[nH]c12 c1ccc2c(c1)ncn2[*:1] O=C(Nc1ccc(nc1)[*:1])c1cccc2cc[nH]c12
CC(C)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)OCCCO2 N#Cc1c(sc2CCCc21)[*:1] CC(C)[C@H]([NH2+]CC(=O)N[*:1])c1ccc2OCCCOc2c1
CC(C)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)OCCCO2 CC(C)[*:1] N#Cc1c(NC(=O)C[NH2+][C@H](c2ccc3OCCCOc3c2)[*:1])sc2CCCc21
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCN(CC1)[*:1])-c1onc(C)c1C
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(c2ncccn2)CC1 Cc1noc(c1C)[*:1] COc1ccc(cc1S(=O)(=O)N1CCN(CC1)c1ncccn1)[*:1]
CCCn1c(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)nc2ccccc21 FC(F)(F)[*:1] CCCn1c(C[NH2+][C@H]2CCC[C@H](C2)[*:1])nc2ccccc21
CCCn1c(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)nc2ccccc21 CCC[*:1] FC(F)(F)[C@H]1CCC[C@@H](C1)[NH2+]Cc1nc2ccccc2n1[*:1]
C[C@H](C/C(O)=N/c1ccc(F)cc1F)S(=O)(=O)c1ccc2c(c1)N=C(O)CO2 Fc1ccc(c(F)c1)[*:1] C[C@H](CC(O)=N[*:1])S(=O)(=O)c1ccc2OCC(O)=Nc2c1
CS(=O)(=O)c1ccccc1NC1CCN(c2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] CS(=O)(=O)c1ccccc1NC1CCN(CC1)[*:1]
CS(=O)(=O)c1ccccc1NC1CCN(c2ccc(C#N)cc2)CC1 CS(=O)(=O)[*:1] N#Cc1ccc(cc1)N1CCC(CC1)Nc1ccccc1[*:1]
O=C(NNS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccoc1 c1cc(co1)[*:1] O=C(NNS(=O)(=O)c1ccc(cc1)C1CCCCC1)[*:1]
O=C(NNS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccoc1 C1CCC(CC1)[*:1] O=C(NNS(=O)(=O)c1ccc(cc1)[*:1])c1ccoc1
Cc1nc(C)c(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)o1 CC(C)(C)[*:1] Cc1nc(C)c(o1)C(=O)N1CCC(CC1)c1nc2ccccn2c1N[*:1]
Cc1nc(C)c(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)o1 CC(C)(C)N[*:1] Cc1nc(C)c(o1)C(=O)N1CCC(CC1)c1nc2ccccn2c1[*:1]
Cc1nc(C)c(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)o1 Cc1nc(C)c(o1)[*:1] CC(C)(C)Nc1c(nc2ccccn12)C1CCN(CC1)C(=O)[*:1]
O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)C1(c2ccc(F)cc2)CC1 FC(F)(F)[*:1] O=C(COc1cccc(c1)[*:1])NNC(=O)C1(CC1)c1ccc(F)cc1
O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(COc1cccc(c1)C(F)(F)F)NNC(=O)C1(CC1)[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCCSCC(C)(C)O CC(C)(O)[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCCSC[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCCSCC(C)(C)O CC(C)(O)CS[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCC[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCCSCC(C)(C)O CC(C)(O)CSC[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NC[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCCSCC(C)(C)O CC(C)(O)C[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCCS[*:1]
C[C@H](NC(=O)NC[C@H](C)c1ccsc1)c1ccc2c(c1)NC(=O)CO2 c1cc(cs1)[*:1] C[C@H](NC(=O)NC[C@H](C)[*:1])c1ccc2OCC(=O)Nc2c1
C[C@H](NC(=O)NC[C@H](C)c1ccsc1)c1ccc2c(c1)NC(=O)CO2 C[C@@H](C[*:1])c1ccsc1 C[C@H](NC(=O)N[*:1])c1ccc2OCC(=O)Nc2c1
C[C@H](NC(=O)NC[C@H](C)c1ccsc1)c1ccc2c(c1)NC(=O)CO2 C[C@H](c1ccsc1)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc2OCC(=O)Nc2c1
CN(C(=O)[C@@H]1COCCO1)C1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN(C(=O)[C@@H]1COCCO1)C1CCN(CC1)[*:1]
CCn1cc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 CCn1cc(cn1)[*:1] O=S(=O)(N1CCC(CC1)[NH2+]C[*:1])C(F)(F)F
CCn1cc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 FC(F)(F)[*:1] CCn1cc(cn1)C[NH2+]C1CCN(CC1)S(=O)(=O)[*:1]
C[C@H]1[C@@H]([NH3+])CC[C@H]1Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[C@H]1[C@@H]([NH3+])CC[C@H]1Cc1nc(cs1)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] Cc1ccccc1[C@@H](C)NC(=O)N1CCC(CC1)O[*:1]
Cc1ccccc1[C@@H](C)NC(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] Cc1ccccc1[C@@H](C)NC(=O)N1CCC(CC1)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1ccccc1[C@@H](C)NC(=O)N1CCC(CC1)OC[*:1]
Cc1ccccc1[C@@H](C)NC(=O)N1CCC(OCc2ccccc2F)CC1 Cc1ccccc1[*:1] C[C@@H](NC(=O)N1CCC(CC1)OCc1ccccc1F)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)N1CCC(OCc2ccccc2F)CC1 Cc1ccccc1[C@@H](C)[*:1] O=C(N[*:1])N1CCC(CC1)OCc1ccccc1F
CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 Fc1ccc(cc1)[*:1] CN(Cc1c[nH]nc1[*:1])C(=O)c1ccccc1[C@@H]1CC[NH2+]C1
Cc1ccc([C@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCCC(C)C)=NC(=O)[C@@H]32)o1 CC(C)CC[*:1] Cc1ccc(o1)[C@H]1C2C(CC(C)(C)CC=2[O-])=NC2=NC(=NC(=O)[C@@H]21)S[*:1]
Cc1ccc([C@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCCC(C)C)=NC(=O)[C@@H]32)o1 Cc1ccc(o1)[*:1] CC(C)CCSC1=NC(=O)[C@H]2C(N=C3CC(C)(C)CC([O-])=C3[C@@H]2[*:1])=N1
Cc1ccc([C@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCCC(C)C)=NC(=O)[C@@H]32)o1 CC(C)C[*:1] Cc1ccc(o1)[C@H]1C2C(CC(C)(C)CC=2[O-])=NC2=NC(=NC(=O)[C@@H]21)SC[*:1]
Cc1ccc([C@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCCC(C)C)=NC(=O)[C@@H]32)o1 CC(C)[*:1] Cc1ccc(o1)[C@H]1C2C(CC(C)(C)CC=2[O-])=NC2=NC(=NC(=O)[C@@H]21)SCC[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc2c(c1)OCCCO2 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)Nc1ccc2OCCCOc2c1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccco2)C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)S(=O)(=O)N(C[C@@H]1C=c2ccc(C)cc2=[NH+]C1=O)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccco2)C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)cc1 c1coc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C[C@@H]1C=c2ccc(C)cc2=[NH+]C1=O)C[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccco2)C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc2=C[C@@H](CN(Cc3ccco3)S(=O)(=O)[*:1])C(=O)[NH+]=c2c1
Cc1cnn(-c2ccc(C(=O)Nc3c(F)cc(F)cc3F)cc2)c1 Cc1cnn(c1)[*:1] O=C(Nc1c(F)cc(F)cc1F)c1ccc(cc1)[*:1]
O=C(NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1cc(Br)c[nH]1 Fc1cccc(c1)[*:1] O=C(NNC(=O)[C@@H]1CC(=NO1)[*:1])c1cc(Br)c[nH]1
O=C(NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1cc(Br)c[nH]1 Brc1c[nH]c(c1)[*:1] O=C(NNC(=O)[*:1])[C@@H]1CC(=NO1)c1cccc(F)c1
COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1cnccc1C Cc1ccncc1[*:1] COCCN(Cc1ccc(F)cc1Cl)C(=O)N[*:1]
COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1cnccc1C Fc1ccc(c(Cl)c1)[*:1] COCCN(C[*:1])C(=O)Nc1cnccc1C
COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1cnccc1C COC[*:1] Cc1ccncc1NC(=O)N(Cc1ccc(F)cc1Cl)C[*:1]
COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1cnccc1C COCC[*:1] Cc1ccncc1NC(=O)N(Cc1ccc(F)cc1Cl)[*:1]
CCCCC1=NN(C(=O)[C@H](O)c2ccccc2)[C@@](O)(C(F)(F)F)C1 CCC[*:1] O=C([C@H](O)c1ccccc1)N1N=C(C[C@]1(O)C(F)(F)F)C[*:1]
CCCCC1=NN(C(=O)[C@H](O)c2ccccc2)[C@@](O)(C(F)(F)F)C1 O[C@H](c1ccccc1)[*:1] CCCCC1C[C@@](O)(N(N=1)C(=O)[*:1])C(F)(F)F
CCCCC1=NN(C(=O)[C@H](O)c2ccccc2)[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CCCCC1C[C@](O)(N(N=1)C(=O)[C@H](O)c1ccccc1)[*:1]
CCCCC1=NN(C(=O)[C@H](O)c2ccccc2)[C@@](O)(C(F)(F)F)C1 c1ccc(cc1)[*:1] CCCCC1C[C@@](O)(N(N=1)C(=O)[C@H](O)[*:1])C(F)(F)F
CCCCC1=NN(C(=O)[C@H](O)c2ccccc2)[C@@](O)(C(F)(F)F)C1 CCCC[*:1] O=C([C@H](O)c1ccccc1)N1N=C(C[C@]1(O)C(F)(F)F)[*:1]
O=C1NC(=O)[C@@H](CCC(=O)N2CCC[C@H]3CCCC[C@H]32)N1 O=C1NC(=O)[C@@H](N1)[*:1] O=C(CC[*:1])N1CCC[C@H]2CCCC[C@H]21
C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2ccccc2c1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)COc1ccc2ccccc2c1
C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2ccccc2c1 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)COc1ccc2ccccc2c1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2ccccc2c1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)COc1ccc2ccccc2c1
CCNC(=O)c1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CCNC(=O)c1ccc(cc1)CNC(=O)C[*:1]
CCNC(=O)c1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1 CCNC(=O)[*:1] O=C(Cc1cccc(Cl)c1)NCc1ccc(cc1)[*:1]
C[C@@H]1COCCN1CC(=O)N(Cc1ccccc1)C(C)(C)C c1ccc(cc1)C[*:1] C[C@@H]1COCCN1CC(=O)N(C(C)(C)C)[*:1]
C[C@@H]1COCCN1CC(=O)N(Cc1ccccc1)C(C)(C)C c1ccc(cc1)[*:1] C[C@@H]1COCCN1CC(=O)N(C[*:1])C(C)(C)C
C[C@@H]1COCCN1CC(=O)N(Cc1ccccc1)C(C)(C)C CC(C)(C)[*:1] C[C@@H]1COCCN1CC(=O)N(Cc1ccccc1)[*:1]
CCCN(C)C(=O)Nc1cccc(CS(C)(=O)=O)c1 CCC[*:1] CN(C(=O)Nc1cccc(c1)CS(C)(=O)=O)[*:1]
CCCN(C)C(=O)Nc1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] CCCN(C)C(=O)Nc1cccc(c1)[*:1]
CCCN(C)C(=O)Nc1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCCN(C)C(=O)Nc1cccc(c1)C[*:1]
C[C@H]1C[C@H](C)C[NH+](C[C@@H](C)NCc2cnc(-c3ccccn3)s2)C1 c1ccc(nc1)[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C[C@@H](C)NCc1cnc(s1)[*:1]
Cc1ccc2cccc(Oc3ncnc(-n4ccnc4)c3[N+](=O)[O-])c2n1 c1cn(cn1)[*:1] Cc1ccc2cccc(Oc3ncnc(c3[N+](=O)[O-])[*:1])c2n1
Cc1ccc2cccc(Oc3ncnc(-n4ccnc4)c3[N+](=O)[O-])c2n1 O=[N+]([O-])[*:1] Cc1ccc2cccc(Oc3ncnc(c3[*:1])-n3ccnc3)c2n1
CC(C)CN(CC(C)C)c1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] CC(C)CN(CC(C)C)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCc2ccccc21
CC(C)CN(CC(C)C)c1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] CC(C)C[*:1] CC(C)CN(c1ncnc(c1[N+](=O)[O-])N1CCc2ccccc21)[*:1]
CC(C)CN(CC(C)C)c1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)CN(CC(C)C)c1ncnc(c1[*:1])N1CCc2ccccc21
CC(C)CN(CC(C)C)c1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] c1ccc2c(c1)CCN2[*:1] CC(C)CN(CC(C)C)c1ncnc(c1[N+](=O)[O-])[*:1]
CC(C)CN(CC(C)C)c1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] CC(C)[*:1] CC(C)CN(C[*:1])c1ncnc(c1[N+](=O)[O-])N1CCc2ccccc21
CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 CC(=O)N[*:1] O=C(COC(=O)c1cccc(c1)[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
CC[NH+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[NH+](CC(=O)N1CCN(CC1)Cc1ccco1)C[*:1]
CC[NH+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1cccc(F)c1 c1coc(c1)[*:1] CC[NH+](CC(=O)N1CCN(CC1)C[*:1])Cc1cccc(F)c1
CC[NH+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] CC[NH+](CC(=O)N1CCN(CC1)Cc1ccco1)[*:1]
CC[NH+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1cccc(F)c1 c1coc(c1)C[*:1] CC[NH+](CC(=O)N1CCN(CC1)[*:1])Cc1cccc(F)c1
C[C@H](NC(=O)N(C)C)c1ccc(/C=C/C(=O)[O-])cc1 O=C([O-])[*:1] C[C@H](NC(=O)N(C)C)c1ccc(C=C[*:1])cc1
C[C@H](NC(=O)N(C)C)c1ccc(/C=C/C(=O)[O-])cc1 O=C([O-])C=C[*:1] C[C@H](NC(=O)N(C)C)c1ccc(cc1)[*:1]
C[C@H](NC(=O)N(C)C)c1ccc(/C=C/C(=O)[O-])cc1 CN(C)C(=O)N[*:1] C[C@H](c1ccc(/C=C/C(=O)[O-])cc1)[*:1]
CSCC(=O)NNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C Clc1ccc(cc1)[*:1] CSCC(=O)NNC(=O)NC[C@H]([NH+](C)C)[*:1]
CSCC(=O)NNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C CSC[*:1] C[NH+](C)[C@H](CNC(=O)NNC(=O)[*:1])c1ccc(Cl)cc1
O=C(Cc1ccc2c(c1)CCC2)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1cc2CCCc2cc1[*:1] O=C(C[*:1])Nc1nc2CC[NH+](Cc3ccccc3)Cc2s1
O=C(Cc1ccc2c(c1)CCC2)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1ccc(cc1)C[*:1] O=C(Cc1ccc2CCCc2c1)Nc1nc2CC[NH+](Cc2s1)[*:1]
O=C(Cc1ccc2c(c1)CCC2)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1ccc(cc1)[*:1] O=C(Cc1ccc2CCCc2c1)Nc1nc2CC[NH+](Cc2s1)C[*:1]
Cn1ccc(C[NH+](C)Cc2cccc(OC(F)(F)F)c2)c1 FC(F)(F)O[*:1] Cn1ccc(c1)C[NH+](C)Cc1cccc(c1)[*:1]
Cn1ccc(C[NH+](C)Cc2cccc(OC(F)(F)F)c2)c1 Cn1ccc(c1)[*:1] C[NH+](Cc1cccc(c1)OC(F)(F)F)C[*:1]
Cn1ccc(C[NH+](C)Cc2cccc(OC(F)(F)F)c2)c1 FC(F)(F)[*:1] Cn1ccc(c1)C[NH+](C)Cc1cccc(c1)O[*:1]
Cn1ccc(C[NH+](C)Cc2cccc(OC(F)(F)F)c2)c1 Cn1ccc(c1)C[*:1] C[NH+](Cc1cccc(c1)OC(F)(F)F)[*:1]
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)N[C@H](C)c1ccc2CCCCc2c1
C[C@@H](c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C)N1C(=O)COc2ccccc21 O=C(Nc1cccc(Cl)c1)[*:1] C[C@@H](c1nnc(SC[*:1])n1C)N1C(=O)COc2ccccc21
C[C@@H](c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C)N1C(=O)COc2ccccc21 Clc1cccc(c1)[*:1] C[C@@H](c1nnc(SCC(=O)N[*:1])n1C)N1C(=O)COc2ccccc21
COc1ccc(CN2C[C@@H](C(=O)Oc3ccc4cn[nH]c4c3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Oc1ccc2cn[nH]c2c1)[C@H]1CC(=O)N(C1)C[*:1]
COc1ccc(CN2C[C@@H](C(=O)Oc3ccc4cn[nH]c4c3)CC2=O)cc1 c1cc2cn[nH]c2cc1[*:1] COc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)O[*:1]
COc1ccc(CN2C[C@@H](C(=O)Oc3ccc4cn[nH]c4c3)CC2=O)cc1 COc1ccc(cc1)C[*:1] O=C(Oc1ccc2cn[nH]c2c1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1ccc(cc1)-c1nc2ccccc2o1
Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] O=C(CC[*:1])Nc1ccc(cc1)-c1nc2ccccc2o1
Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 c1ccc2oc(nc2c1)[*:1] Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 CCO[*:1] CN(C)c1ccc(/C=N/NC(=O)c2ccc(cc2)[*:1])cc1
CCOc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 CN(C)[*:1] CCOc1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 Cc1ccc(cc1)[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccc(c1)[N+](=O)[O-]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 O=[N+]([O-])c1cccc(c1)[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@@H]1[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(c1)[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 Cc1ccc(cc1)C(=O)[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C([C@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 CCc1nnc(s1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
CCn1c2ccccc2c2nnc(N/N=C/c3cccc([N+](=O)[O-])c3[O-])nc21 O=[N+]([O-])[*:1] CCn1c2ccccc2c2nnc(nc21)N/N=C/c1cccc(c1[O-])[*:1]
CSc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CSc1cccc(c1)NC(=O)C(=O)N[C@H](C)[*:1]
COC(=O)C[C@@H]1CN(C/C=C/c2ccc(C#N)cc2)CCO1 COC(=O)C[*:1] N#Cc1ccc(/C=C/CN2CCO[C@@H](C2)[*:1])cc1
COC(=O)C[C@@H]1CN(C/C=C/c2ccc(C#N)cc2)CCO1 COC(=O)[*:1] N#Cc1ccc(/C=C/CN2CCO[C@@H](C2)C[*:1])cc1
CSc1ccc(CNC(=O)C(=O)Nc2nnc(CC(C)C)s2)cc1 CC(C)[*:1] CSc1ccc(cc1)CNC(=O)C(=O)Nc1nnc(C[*:1])s1
CSc1ccc(CNC(=O)C(=O)Nc2nnc(CC(C)C)s2)cc1 CSc1ccc(cc1)[*:1] CC(C)Cc1nnc(NC(=O)C(=O)NC[*:1])s1
CSc1ccc(CNC(=O)C(=O)Nc2nnc(CC(C)C)s2)cc1 CC(C)C[*:1] CSc1ccc(cc1)CNC(=O)C(=O)Nc1nnc(s1)[*:1]
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(C)c2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cccc(c1)C(=O)Nc1c(oc2ccccc12)C(=O)N[*:1]
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(C)c2)c(OC)c1 Cc1cccc(c1)[*:1] COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[*:1])c(c1)OC
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(C)c2)c(OC)c1 Cc1cccc(c1)C(=O)N[*:1] COc1ccc(NC(=O)c2oc3ccccc3c2[*:1])c(c1)OC
COc1ccc(-c2nc(COC(=O)c3cc(C#N)cn3C)no2)cc1 Cn1cc(C#N)cc1[*:1] COc1ccc(cc1)-c1nc(COC(=O)[*:1])no1
COc1ccc(-c2nc(COC(=O)c3cc(C#N)cn3C)no2)cc1 COc1ccc(cc1)[*:1] Cn1cc(C#N)cc1C(=O)OCc1noc(n1)[*:1]
CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 CC(C)S(=O)(=O)[*:1] NC(=O)c1c(NC(=O)c2cccc(c2)[*:1])sc2CCCCCc21
CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 CC(C)[*:1] NC(=O)c1c(NC(=O)c2cccc(c2)S(=O)(=O)[*:1])sc2CCCCCc21
CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 NC(=O)[*:1] CC(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1sc2CCCCCc2c1[*:1]
Cc1csc([C@@H](NC(=O)N[C@H](C)c2ccc3ccccc3c2)C2CC2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)N[C@@H](C1CC1)[*:1])c1ccc2ccccc2c1
Cc1csc([C@@H](NC(=O)N[C@H](C)c2ccc3ccccc3c2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)N[C@H](C)c1ccc2ccccc2c1)[*:1]
O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(OC(F)F)c1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1cccc(c1)OC(F)F
O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(OC(F)F)c1 O=C(N[*:1])c1cccs1 O=C(Nc1cccc(c1)[*:1])c1cccc(c1)OC(F)F
O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(OC(F)F)c1 FC(F)[*:1] O=C(Nc1cccc(c1)NC(=O)c1cccs1)c1cccc(c1)O[*:1]
O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(Nc1cccc(c1)NC(=O)c1cccs1)c1cccc(c1)[*:1]
Cc1nc2ccc3nc(NC(=O)CN4C(=O)CCC4=O)sc3c2s1 O=C1CCC(=O)N1[*:1] Cc1nc2ccc3nc(NC(=O)C[*:1])sc3c2s1
Cc1nc2ccc3nc(NC(=O)CN4C(=O)CCC4=O)sc3c2s1 O=C1CCC(=O)N1C[*:1] Cc1nc2ccc3nc(NC(=O)[*:1])sc3c2s1
Cc1csc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1csc(n1)[C@@H](C)NC(=O)[C@@H]1C[C@H]1[*:1]
Cc1csc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)[*:1]
C=CC[NH2+]Cc1cccc(OC(C)C)c1 CC(C)O[*:1] C=CC[NH2+]Cc1cccc(c1)[*:1]
C=CC[NH2+]Cc1cccc(OC(C)C)c1 CC(C)[*:1] C=CC[NH2+]Cc1cccc(c1)O[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1ccc[nH]1 COC(=O)[C@H](C)[*:1] O=C(Nc1cc(F)ccc1C(=O)N[*:1])c1ccc[nH]1
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1ccc[nH]1 O=C(N[*:1])c1ccc[nH]1 COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1ccc[nH]1 c1c[nH]c(c1)[*:1] COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1ccc[nH]1 COC(=O)[*:1] C[C@H](NC(=O)c1ccc(F)cc1NC(=O)c1ccc[nH]1)[*:1]
COC(=O)C[C@@H](C)NC(=O)Nc1ccc2c(c1)COC2 COC(=O)[*:1] C[C@H](C[*:1])NC(=O)Nc1ccc2COCc2c1
COC(=O)C[C@@H](C)NC(=O)Nc1ccc2c(c1)COC2 COC(=O)C[*:1] C[C@@H](NC(=O)Nc1ccc2COCc2c1)[*:1]
COc1cccc(Nc2ccccc2C(=O)N2C[C@H](CO)OC[C@@H]2C)c1 COc1cccc(c1)[*:1] C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccccc1N[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)C3(C#N)CCCC3)CC2)no1 N#CC1(CCCC1)[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)C3(C#N)CCCC3)CC2)no1 Cc1cc(no1)[*:1] N#CC1(CCCC1)C(=O)N1CCC(CC1)C(=O)N[*:1]
COCCC(=O)Nc1cccc(Cl)c1NC(C)C CC(C)N[*:1] COCCC(=O)Nc1cccc(Cl)c1[*:1]
COCCC(=O)Nc1cccc(Cl)c1NC(C)C CC(C)[*:1] COCCC(=O)Nc1cccc(Cl)c1N[*:1]
COCCC(=O)Nc1cccc(Cl)c1NC(C)C COC[*:1] CC(C)Nc1c(Cl)cccc1NC(=O)C[*:1]
COCCC(=O)Nc1cccc(Cl)c1NC(C)C COCC[*:1] CC(C)Nc1c(Cl)cccc1NC(=O)[*:1]
CC(=O)Nc1on[n+](Cc2ccc(C)cc2)c1[C@H](C)O CC(=O)N[*:1] Cc1ccc(cc1)C[n+]1noc(c1[C@H](C)O)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)c1ccc(cc1)-n1nnnc1SC[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccc2OCCOc2c1)c1ccc(cc1)-n1nnnc1S[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1 Fc1ccc(cc1)CS[*:1] O=C(Nc1ccc2OCCOc2c1)c1ccc(cc1)-n1nnnc1[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1 c1cc2OCCOc2cc1[*:1] O=C(N[*:1])c1ccc(cc1)-n1nnnc1SCc1ccc(F)cc1
O=C(NCCN1CCCc2ccccc21)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 c1ccc2c(c1)CCCN2[*:1] O=C(NCC[*:1])C1CCN(CC1)c1nnc(s1)N1CCCCC1=O
O=C(NCCN1CCCc2ccccc21)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 c1ccc2c(c1)CCCN2C[*:1] O=C(NC[*:1])C1CCN(CC1)c1nnc(s1)N1CCCCC1=O
O=C(NCCN1CCCc2ccccc21)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 O=C1CCCCN1[*:1] O=C(NCCN1CCCc2ccccc21)C1CCN(CC1)c1nnc(s1)[*:1]
C[C@H](NC(=O)NNc1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NC(=O)NNc1ccc(F)cc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NNc1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)NN[*:1])c1ccc(cc1)-n1ccnc1
CS(=O)(=O)CCNC(=O)Cn1c(=O)[nH]c2ccccc21 CS(=O)(=O)CC[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)N[*:1]
CS(=O)(=O)CCNC(=O)Cn1c(=O)[nH]c2ccccc21 CS(=O)(=O)[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)NCC[*:1]
CS(=O)(=O)CCNC(=O)Cn1c(=O)[nH]c2ccccc21 CS(=O)(=O)C[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)NC[*:1]
Clc1ccc(OC2CC[NH+](CCn3cncn3)CC2)cc1 c1ncn(n1)[*:1] Clc1ccc(cc1)OC1CC[NH+](CC1)CC[*:1]
Clc1ccc(OC2CC[NH+](CCn3cncn3)CC2)cc1 Clc1ccc(cc1)[*:1] c1ncn(CC[NH+]2CCC(CC2)O[*:1])n1
Clc1ccc(OC2CC[NH+](CCn3cncn3)CC2)cc1 c1ncn(CC[*:1])n1 Clc1ccc(cc1)OC1CC[NH+](CC1)[*:1]
Clc1ccc(OC2CC[NH+](CCn3cncn3)CC2)cc1 c1ncn(C[*:1])n1 Clc1ccc(cc1)OC1CC[NH+](CC1)C[*:1]
NC(=O)[C@H]1CC(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)=NN1c1ccccc1 NC(=O)[*:1] O=C(Nc1cc(CC2CCCCC2)n[nH]1)C1C[C@@H](N(N=1)c1ccccc1)[*:1]
NC(=O)[C@H]1CC(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)=NN1c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CC(=NN1[*:1])C(=O)Nc1cc(CC2CCCCC2)n[nH]1
NC(=O)[C@H]1CC(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)=NN1c1ccccc1 C1CCC(CC1)C[*:1] NC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)Nc1cc(n[nH]1)[*:1]
NC(=O)[C@H]1CC(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)=NN1c1ccccc1 C1CCC(CC1)[*:1] NC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)Nc1cc(C[*:1])n[nH]1
CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3cccc(C)c3)cc2C[C@@H]1C Cc1cccc(c1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)N(C)CC(=O)N[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)C(=O)NC2CC2)cc1 Cc1nccn1[*:1] C[C@H](NC(=O)C(=O)NC1CC1)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)C(=O)NC2CC2)cc1 C1CC1[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)C(=O)N[*:1]
Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccn1)O2 Clc1ccc(cc1)[*:1] Cc1cc(cc2O/C(=C\c3ccccn3)C(=O)c12)OC(=O)[*:1]
Cc1cc(OC(=O)c2ccc(Cl)cc2)cc2c1C(=O)/C(=C/c1ccccn1)O2 c1ccc(nc1)[*:1] Cc1cc(cc2OC(=C[*:1])C(=O)c12)OC(=O)c1ccc(Cl)cc1
O=C1CN(C(=O)c2ccc(CNC(=O)c3c(F)cccc3Cl)cc2)CCN1 Fc1cccc(Cl)c1[*:1] O=C1CN(CCN1)C(=O)c1ccc(cc1)CNC(=O)[*:1]
O=C1CN(C(=O)c2ccc(CNC(=O)c3c(F)cccc3Cl)cc2)CCN1 O=C1CN(CCN1)C(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1c(F)cccc1Cl
CCS[C@H]1CCCCN(C(=O)C(=O)Nc2c(C)ccn(C)c2=O)C1 CCS[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCCC[C@@H](C1)[*:1]
CCC[C@H](C)NS(=O)(=O)c1ccc(N)cc1Br CCC[C@H](C)[*:1] Nc1ccc(c(Br)c1)S(=O)(=O)N[*:1]
CCC[C@H](C)NS(=O)(=O)c1ccc(N)cc1Br CCC[*:1] C[C@H](NS(=O)(=O)c1ccc(N)cc1Br)[*:1]
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@@H]2C=C[C@H]1C2 O=C([O-])[*:1] O=C([C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1[*:1])N1CCN(C/C=C/c2ccccc2)CC1
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@@H]2C=C[C@H]1C2 C(=C[*:1])c1ccccc1 O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(CC2)C[*:1])[C@@H]2C=C[C@H]1C2
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@@H]2C=C[C@H]1C2 C(=C/c1ccccc1)\C[*:1] O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(CC2)[*:1])[C@@H]2C=C[C@H]1C2
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@@H]2C=C[C@H]1C2 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(CC=C[*:1])CC2)[C@@H]2C=C[C@H]1C2
O=C(NNc1ccc(F)cc1Br)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(NNc1ccc(F)cc1Br)N[C@H]1CCN(C1)C[*:1]
O=C(NNc1ccc(F)cc1Br)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(NNc1ccc(F)cc1Br)N[C@H]1CCN(C1)[*:1]
Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nnnn2C2CCCCC2)c(C)c1 C1CCC(CC1)[*:1] Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nnnn2[*:1])c(C)c1
Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nnnn2C2CCCCC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](Sc1nnnn1C1CCCCC1)C(=O)NC(=O)N[*:1]
CCc1cc(=O)[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc12 O=[N+]([O-])[*:1] CCc1cc(=O)[nH]c2cc(ccc12)NC(=O)c1ccc(o1)[*:1]
CCc1cc(=O)[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc12 O=[N+]([O-])c1ccc(o1)[*:1] CCc1cc(=O)[nH]c2cc(ccc12)NC(=O)[*:1]
COc1ccc(O)c(C(=O)NNC(=O)c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] COc1ccc(O)c(c1)C(=O)NNC(=O)[*:1]
CC(C)CC(=O)Nc1ccnn1C1CCN(c2ccnc(N)n2)CC1 CC(C)[*:1] Nc1nccc(n1)N1CCC(CC1)n1nccc1NC(=O)C[*:1]
CC(C)CC(=O)Nc1ccnn1C1CCN(c2ccnc(N)n2)CC1 CC(C)C[*:1] Nc1nccc(n1)N1CCC(CC1)n1nccc1NC(=O)[*:1]
CC(C)CC(=O)Nc1ccnn1C1CCN(c2ccnc(N)n2)CC1 CC(C)CC(=O)N[*:1] Nc1nccc(n1)N1CCC(CC1)n1nccc1[*:1]
CC(C)CC(=O)Nc1ccnn1C1CCN(c2ccnc(N)n2)CC1 Nc1nccc(n1)[*:1] CC(C)CC(=O)Nc1ccnn1C1CCN(CC1)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1ccc(OC)c(C)c1 C[C@H](C#N)C[*:1] CCN(C(=O)Nc1ccc(OC)c(C)c1)[*:1]
Cc1n[nH]c(Sc2c(Cl)cc(C(N)=O)cc2[N+](=O)[O-])n1 NC(=O)[*:1] Cc1n[nH]c(n1)Sc1c(Cl)cc(cc1[N+](=O)[O-])[*:1]
Cc1n[nH]c(Sc2c(Cl)cc(C(N)=O)cc2[N+](=O)[O-])n1 Cc1n[nH]c(n1)[*:1] NC(=O)c1cc(Cl)c(S[*:1])c(c1)[N+](=O)[O-]
Cc1n[nH]c(Sc2c(Cl)cc(C(N)=O)cc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1n[nH]c(n1)Sc1c(Cl)cc(cc1[*:1])C(N)=O
O=C(CCn1cc(C(F)(F)F)ccc1=O)NCCc1c[nH]c2ccccc12 FC(F)(F)[*:1] O=C(CCn1cc(ccc1=O)[*:1])NCCc1c[nH]c2ccccc12
O=C(CCn1cc(C(F)(F)F)ccc1=O)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(CCn1cc(ccc1=O)C(F)(F)F)NCC[*:1]
CC[NH2+][C@@H](c1cccs1)[C@H]1CCOC2(CCC2)C1 c1csc(c1)[*:1] CC[NH2+][C@@H]([C@H]1CCOC2(CCC2)C1)[*:1]
CCn1c(C)cc(C[NH2+][C@H](C)Cc2ccco2)c1C c1coc(c1)[*:1] CCn1c(C)cc(C[NH2+][C@H](C)C[*:1])c1C
CCn1c(C)cc(C[NH2+][C@H](C)Cc2ccco2)c1C c1coc(c1)C[*:1] CCn1c(C)cc(C[NH2+][C@H](C)[*:1])c1C
O=C(NC[C@@H](O)c1cccs1)Nc1ccc(F)cc1 c1csc(c1)[*:1] O=C(NC[C@@H](O)[*:1])Nc1ccc(F)cc1
O=C(CCN1CCOC[C@@H]1C1CC1)NCc1ccccc1Cl C1CC1[*:1] O=C(CCN1CCOC[C@H]1[*:1])NCc1ccccc1Cl
O=C(CCN1CCOC[C@@H]1C1CC1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CCN1CCOC[C@@H]1C1CC1)NC[*:1]
CCOc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)no2)cc1 Cc1ccc(cc1C)[*:1] CCOc1ccc(cc1)-c1nc(no1)NC(=O)[C@@H](C)O[*:1]
CCOc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)no2)cc1 Cc1ccc(cc1C)O[*:1] CCOc1ccc(cc1)-c1nc(no1)NC(=O)[C@@H](C)[*:1]
CCOc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)no2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1C)O[C@H](C)C(=O)Nc1noc(n1)[*:1]
CCOc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)no2)cc1 CCO[*:1] Cc1ccc(cc1C)O[C@H](C)C(=O)Nc1noc(n1)-c1ccc(cc1)[*:1]
CC[C@H](c1ccc(F)cc1)N1CC[NH+](CCCO)CC1 OCCC[*:1] CC[C@H](c1ccc(F)cc1)N1CC[NH+](CC1)[*:1]
CC[C@H](c1ccc(F)cc1)N1CC[NH+](CCCO)CC1 OCC[*:1] CC[C@H](c1ccc(F)cc1)N1CC[NH+](CC1)C[*:1]
Cc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)c2ccc(Cl)c(c2)[*:1])c(Cl)c1
O=C(Nc1cccc2ccccc12)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=C(Nc1cccc2ccccc12)N1CCO[C@@H](C1)[*:1]
C[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)c2cc(F)ccc2C(=O)N1 C1CC1[*:1] C[C@@H]1CN(C(=O)Cn2cc(nn2)[*:1])c2cc(F)ccc2C(=O)N1
C[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)c2cc(F)ccc2C(=O)N1 c1c(nnn1[*:1])C1CC1 C[C@@H]1CN(C(=O)C[*:1])c2cc(F)ccc2C(=O)N1
COCc1nccc([C@H]2CCCN(Cc3nnc(C)o3)C2)n1 Cc1nnc(o1)[*:1] COCc1nccc(n1)[C@H]1CCCN(C1)C[*:1]
COCc1nccc([C@H]2CCCN(Cc3nnc(C)o3)C2)n1 COC[*:1] Cc1nnc(CN2CCC[C@@H](C2)c2ccnc(n2)[*:1])o1
COCc1nccc([C@H]2CCCN(Cc3nnc(C)o3)C2)n1 Cc1nnc(C[*:1])o1 COCc1nccc(n1)[C@H]1CCCN(C1)[*:1]
CC(=O)NC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 C1CC1[*:1] CC(=O)NC1CC[NH+](CC1)Cc1cnc(s1)[*:1]
CC(=O)NC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 CC(=O)N[*:1] c1nc(sc1C[NH+]1CCC(CC1)[*:1])C1CC1
CCOC(=O)CC[C@@H](C)NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 CCOC(=O)[*:1] C[C@H](CC[*:1])NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1
CCOC(=O)CC[C@@H](C)NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 CCOC(=O)C[*:1] C[C@H](C[*:1])NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1
CCOC(=O)CC[C@@H](C)NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 CCOC(=O)CC[*:1] C[C@@H](NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)[*:1]
C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCNC(=O)[*:1])c1ccc(cc1)-n1ccnc1
Cc1ocnc1CNC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 Cc1ocnc1C[*:1] C[C@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)N[*:1]
Cc1ocnc1CNC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] Cc1ocnc1CNC(=O)N1C[C@H](C)O[C@@H](C1)[*:1]
Cc1ocnc1CNC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 Cc1ocnc1[*:1] C[C@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)NC[*:1]
CCCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)NCC)C1 CCCC[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@H](C)[*:1]
CCCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)NCC)C1 CCC[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@H](C)C[*:1]
CCN(CC)S(=O)(=O)[C@H]1S[C@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCC2=C1C(=O)OC CCN(CC)S(=O)(=O)[*:1] COC(=O)C1=C2CCN(C[C@@H]2S[C@@H]1[*:1])C(=O)c1cc2ccccc2[nH]1
CCN(CC)S(=O)(=O)[C@H]1S[C@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCC2=C1C(=O)OC c1ccc2[nH]c(cc2c1)[*:1] CCN(CC)S(=O)(=O)[C@H]1S[C@H]2CN(CCC2=C1C(=O)OC)C(=O)[*:1]
CCN(CC)S(=O)(=O)[C@H]1S[C@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCC2=C1C(=O)OC COC(=O)[*:1] CCN(CC)S(=O)(=O)[C@H]1S[C@H]2CN(CCC2=C1[*:1])C(=O)c1cc2ccccc2[nH]1
Cc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CC3)cc2c1 Fc1ccc(cc1)[*:1] Cc1ccc2nc(Cl)c(cc2c1)CN(C[*:1])C(=O)C1CC1
Cc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CC3)cc2c1 C1CC1[*:1] Cc1ccc2nc(Cl)c(cc2c1)CN(Cc1ccc(F)cc1)C(=O)[*:1]
Cc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CC3)cc2c1 Fc1ccc(cc1)C[*:1] Cc1ccc2nc(Cl)c(cc2c1)CN(C(=O)C1CC1)[*:1]
CCOc1ccc2c(c1)s/c(=N\C(=O)C1CC1)n2C C1CC1[*:1] CCOc1ccc2c(c1)s/c(=N\C(=O)[*:1])n2C
CCOc1ccc2c(c1)s/c(=N\C(=O)C1CC1)n2C CCO[*:1] Cn1/c(=N/C(=O)C2CC2)sc2cc(ccc21)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)[C@@H]1CCCN1S(=O)(=O)[*:1]
CCn1cc(C(=O)Nc2ccc(O)cc2C)c(=O)c2ccc(C)nc21 Cc1cc(O)ccc1[*:1] CCn1cc(C(=O)N[*:1])c(=O)c2ccc(C)nc21
CC[C@H]([NH2+][C@@H](C)c1c(C)noc1C)C(=O)[O-] O=C([O-])[*:1] CC[C@H]([NH2+][C@@H](C)c1c(C)noc1C)[*:1]
COCCNC(=O)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 COCC[*:1] O=C(N[*:1])c1cccc(n1)N1CC[NH2+][C@H](C1)c1ccccc1
COCCNC(=O)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 c1ccc(cc1)[*:1] COCCNC(=O)c1cccc(n1)N1CC[NH2+][C@@H](C1)[*:1]
COCCNC(=O)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 COC[*:1] O=C(NC[*:1])c1cccc(n1)N1CC[NH2+][C@H](C1)c1ccccc1
COCCNC(=O)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 COCCNC(=O)[*:1] c1ccc(cc1)[C@H]1CN(CC[NH2+]1)c1cccc(n1)[*:1]
Cc1nc(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cs1 Cc1nc(cs1)[*:1] C[C@H]1Cc2cc(ccc2N1C[*:1])[N+](=O)[O-]
Cc1nc(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cs1 O=[N+]([O-])[*:1] Cc1nc(cs1)CN1c2ccc(cc2C[C@@H]1C)[*:1]
CC(C)Oc1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1 CC(C)O[*:1] O=C(Nc1cccc(c1)-c1cc[nH]n1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1 CC(C)[*:1] O=C(Nc1cccc(c1)-c1cc[nH]n1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1 c1cc(n[nH]1)[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1 COc1ccc(cc1)C[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1 COc1ccc(cc1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1 Cn1cnc(c1)[*:1] COc1ccc(cc1)CNC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COc1cc(CNC(=O)Cc2c(Cl)cccc2Cl)cc(OC)c1OC Clc1cccc(Cl)c1[*:1] COc1cc(cc(OC)c1OC)CNC(=O)C[*:1]
COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](O)C2CCCC2)cc1 O[C@H](C1CCCC1)[*:1] COc1ccc(cc1)[C@H](C)[C@H](C)[NH2+]C[*:1]
COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](O)C2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)[C@H](C)[C@H](C)[NH2+]C[C@H](O)[*:1]
NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1Cl c1cc2OCOc2cc1[*:1] NC(=O)N[C@@H](CC(=O)NNC(=O)[*:1])c1ccccc1Cl
NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1Cl Clc1ccccc1[*:1] NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc2OCOc2c1)[*:1]
NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1Cl NC(=O)N[*:1] O=C(C[C@@H](c1ccccc1Cl)[*:1])NNC(=O)c1ccc2OCOc2c1
CCCSCC(=O)NNC(=O)c1ccc(Cl)nc1 CCCSC[*:1] O=C(NNC(=O)[*:1])c1ccc(Cl)nc1
CCCSCC(=O)NNC(=O)c1ccc(Cl)nc1 CCC[*:1] O=C(CS[*:1])NNC(=O)c1ccc(Cl)nc1
CCCSCC(=O)NNC(=O)c1ccc(Cl)nc1 CCCS[*:1] O=C(C[*:1])NNC(=O)c1ccc(Cl)nc1
Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc2cc(CN(C(=O)c3ccccc3)[*:1])c(=O)[nH]c2c1
Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)[*:1]
Cc1cc2oc(C(=O)N(C)Cc3ccccc3)c(C)c2cc1C c1ccc(cc1)C[*:1] Cc1cc2oc(C(=O)N(C)[*:1])c(C)c2cc1C
Cc1cc2oc(C(=O)N(C)Cc3ccccc3)c(C)c2cc1C c1ccc(cc1)[*:1] Cc1cc2oc(C(=O)N(C)C[*:1])c(C)c2cc1C
CCC[NH2+][C@@H](C)c1ccnc(Sc2ncccc2Cl)c1 CCC[*:1] C[C@H]([NH2+][*:1])c1ccnc(c1)Sc1ncccc1Cl
CCOCC1CCN(C(=O)N[C@H]2CCCn3nc(CC)nc32)CC1 CCO[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N1CCC(CC1)C[*:1]
CCOCC1CCN(C(=O)N[C@H]2CCCn3nc(CC)nc32)CC1 CCOC[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N1CCC(CC1)[*:1]
Cc1c(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cnn1C Cc1c(cnn1C)[*:1] O=C(C[C@@H]1C(=O)N(C(=S)N1C[*:1])c1ccccc1)Nc1ccc(Cl)cc1
Cc1c(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cnn1C Cc1c(cnn1C)C[*:1] O=C(C[C@@H]1C(=O)N(C(=S)N1[*:1])c1ccccc1)Nc1ccc(Cl)cc1
Cc1c(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)CN1C(=S)N(C(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1)[*:1]
Cc1c(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cnn1C Clc1ccc(cc1)[*:1] Cc1c(cnn1C)CN1C(=S)N(C(=O)[C@H]1CC(=O)N[*:1])c1ccccc1
Cc1c(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cnn1C O=C(Nc1ccc(Cl)cc1)[*:1] Cc1c(cnn1C)CN1C(=S)N(C(=O)[C@H]1C[*:1])c1ccccc1
CCC(CC)C(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@@H]2C1 CCC(CC)[*:1] O=C1Nc2ccc(cc2C(=O)N2CC[C@@H](C[C@@H]12)NC(=O)[*:1])-c1ccc(Cl)cc1
CCC(CC)C(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@@H]2C1 Clc1ccc(cc1)[*:1] CCC(CC)C(=O)N[C@H]1CCN2C(=O)c3cc(ccc3NC(=O)[C@@H]2C1)[*:1]
CCC(CC)C(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@@H]2C1 CCC(CC)C(=O)N[*:1] O=C1Nc2ccc(cc2C(=O)N2CC[C@@H](C[C@@H]12)[*:1])-c1ccc(Cl)cc1
Cc1nc(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1 C(=C[*:1])c1ccccc1 Cc1nc(cs1)CC(=O)N1CCN(CC1)C[*:1]
Cc1nc(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N1CCN(C/C=C/c2ccccc2)CC1
Cc1nc(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(N1CCN(C/C=C/c2ccccc2)CC1)[*:1]
Cc1nc(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)N1CCN(CC=C[*:1])CC1
COc1ccc(C2(C(=O)N3CCO[C@H](c4ccccc4)C3)CCOCC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1(CCOCC1)C(=O)N1CCO[C@H](C1)[*:1]
COc1ccc(C2(C(=O)N3CCO[C@H](c4ccccc4)C3)CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N1CCO[C@@H](C1)c1ccccc1)C1(CCOCC1)[*:1]
C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+]CCc1ccsc1 c1cc(cs1)[*:1] C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+]CC[*:1]
CCOC(=O)[C@]1(NC)CC[C@@H](Oc2cc(C)ccc2C)C1 CCOC(=O)[*:1] CN[C@@]1(CC[C@H](C1)Oc1cc(C)ccc1C)[*:1]
COc1cc2ccccc2cc1C(=O)Nc1cc(C(=O)[O-])ccc1C O=C([O-])[*:1] COc1cc2ccccc2cc1C(=O)Nc1cc(ccc1C)[*:1]
CCC[C@H]1CN(C(=O)CCc2ccccc2OC(F)(F)F)CCO1 FC(F)(F)[*:1] CCC[C@H]1CN(CCO1)C(=O)CCc1ccccc1O[*:1]
CCC[C@H]1CN(C(=O)CCc2ccccc2OC(F)(F)F)CCO1 FC(F)(F)O[*:1] CCC[C@H]1CN(CCO1)C(=O)CCc1ccccc1[*:1]
CCC[C@H]1CN(C(=O)CCc2ccccc2OC(F)(F)F)CCO1 CCC[*:1] O=C(CCc1ccccc1OC(F)(F)F)N1CCO[C@H](C1)[*:1]
N#Cc1ccc(COC(=O)c2cccc(Oc3cnccn3)c2)cc1 c1cnc(cn1)[*:1] N#Cc1ccc(cc1)COC(=O)c1cccc(c1)O[*:1]
N#Cc1ccc(COC(=O)c2cccc(Oc3cnccn3)c2)cc1 c1cnc(cn1)O[*:1] N#Cc1ccc(cc1)COC(=O)c1cccc(c1)[*:1]
N#Cc1ccc(COC(=O)c2cccc(Oc3cnccn3)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(OC[*:1])c1cccc(c1)Oc1cnccn1
C[C@H]1CN(c2ccnc(C(C)(C)C)n2)C[C@@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccnc(n1)[*:1]
O=C(Cc1ccc(F)cc1)NNC(=O)Nc1cccc(Cl)c1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NNC(=O)Nc1cccc(Cl)c1
O=C(Cc1ccc(F)cc1)NNC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cc1ccc(F)cc1)NNC(=O)N[*:1]
CCOCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)oc2ccccc12 CCO[*:1] Cc1ccc(cc1NC(=O)c1oc2ccccc2c1C[*:1])[N+](=O)[O-]
CCOCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)oc2ccccc12 CCOC[*:1] Cc1ccc(cc1NC(=O)c1oc2ccccc2c1[*:1])[N+](=O)[O-]
CCOCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)oc2ccccc12 O=[N+]([O-])[*:1] CCOCc1c(oc2ccccc12)C(=O)Nc1cc(ccc1C)[*:1]
C[C@H](O)C[C@@H]1CCCN1C(=O)c1coc2ccccc12 C[C@H](O)C[*:1] O=C(c1coc2ccccc12)N1CCC[C@H]1[*:1]
C[C@H](O)C[C@@H]1CCCN1C(=O)c1coc2ccccc12 C[C@H](O)[*:1] O=C(c1coc2ccccc12)N1CCC[C@H]1C[*:1]
COC[C@H](C)NC(=O)[C@H](C)Sc1nncn1C COC[C@H](C)[*:1] C[C@H](Sc1nncn1C)C(=O)N[*:1]
COC[C@H](C)NC(=O)[C@H](C)Sc1nncn1C COC[*:1] C[C@H](Sc1nncn1C)C(=O)N[C@@H](C)[*:1]
Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(SCCO)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(SCCO)c(c1)[*:1]
Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(SCCO)c([N+](=O)[O-])c1 OCC[*:1] Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(S[*:1])c(c1)[N+](=O)[O-]
Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(SCCO)c([N+](=O)[O-])c1 OCCS[*:1] Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(Nc1c(F)cccc1F)N1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(Nc1c(F)cccc1F)N1CCN(CC1)C(=O)[*:1]
O=C(Nc1c(F)cccc1F)N1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(F)c1[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1cccc(F)c1
COC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@]1(C)O COC(=O)[*:1] C[C@]1(O)Cc2[nH]nc(O)c2[C@@H](c2ccc(F)cc2)[C@H]1[*:1]
COC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@]1(C)O Fc1ccc(cc1)[*:1] COC(=O)[C@@H]1[C@H](c2c(O)n[nH]c2C[C@]1(C)O)[*:1]
Cc1ccc(CC(=O)N2CCN(Cc3ccc([N+](=O)[O-])c(O)c3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccc(c(O)c1)[N+](=O)[O-]
Cc1ccc(CC(=O)N2CCN(Cc3ccc([N+](=O)[O-])c(O)c3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(N1CCN(CC1)Cc1ccc(c(O)c1)[N+](=O)[O-])[*:1]
Cc1ccc(CC(=O)N2CCN(Cc3ccc([N+](=O)[O-])c(O)c3)CC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CC(=O)N1CCN(CC1)Cc1ccc(c(O)c1)[*:1]
N#Cc1ccccc1N1CCCN(C(=O)NCC(=O)N2CCCCC2)CC1 O=C(C[*:1])N1CCCCC1 N#Cc1ccccc1N1CCCN(CC1)C(=O)N[*:1]
N#Cc1ccccc1N1CCCN(C(=O)NCC(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)NC[*:1]
N#Cc1ccccc1N1CCCN(C(=O)NCC(=O)N2CCCCC2)CC1 N#Cc1ccccc1[*:1] O=C(CNC(=O)N1CCCN(CC1)[*:1])N1CCCCC1
CN(C[C@@H](O)C1CC1)C(=O)CCCn1ccnn1 O[C@@H](C1CC1)[*:1] CN(C[*:1])C(=O)CCCn1ccnn1
CN(C[C@@H](O)C1CC1)C(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 CN(C[C@@H](O)C1CC1)C(=O)CC[*:1]
CN(C[C@@H](O)C1CC1)C(=O)CCCn1ccnn1 O[C@H](C[*:1])C1CC1 CN(C(=O)CCCn1ccnn1)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)CCCn1ccnn1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)CCCn1ccnn1
CN(C[C@@H](O)C1CC1)C(=O)CCCn1ccnn1 c1cn(nn1)[*:1] CN(C[C@@H](O)C1CC1)C(=O)CCC[*:1]
COc1ccc(CCCCc2nc(-c3ccc(C#N)cn3)no2)cc1 COc1ccc(cc1)[*:1] N#Cc1ccc(nc1)-c1noc(CCCC[*:1])n1
COc1ccc(CCCCc2nc(-c3ccc(C#N)cn3)no2)cc1 N#Cc1ccc(nc1)[*:1] COc1ccc(cc1)CCCCc1nc(no1)[*:1]
C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCCN(c2cccnn2)C1 c1cnnc(c1)[*:1] C[C@H](CCc1ccc2OCOc2c1)[NH2+][C@H]1CCCN(C1)[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1cccc(Cl)c1 CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)N[C@H](C)c1cccc(Cl)c1
Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)[*:1]
CCCN1CCO[C@H]([C@@H](Cc2cccc(Br)c2)[NH2+]C)C1 CCC[*:1] C[NH2+][C@H](Cc1cccc(Br)c1)[C@@H]1CN(CCO1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 COC(=O)C(C)(C)[*:1] O=C(N1CCC[C@H](C1)[*:1])C1(CCC1)c1ccc(F)cc1
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 Fc1ccc(cc1)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)C1(CCC1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)C(=O)C1(CCC1)c1ccc(F)cc1)[*:1]
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 CC[C@H](C)NS(=O)(=O)[*:1] O=C(c1ccccc1)N1CCCc2cc(ccc21)[*:1]
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[*:1]
CC(C)OCCS(=O)(=O)[N-]c1ccccc1[C@@H](C)Cl CC(C)OC[*:1] C[C@@H](Cl)c1ccccc1[N-]S(=O)(=O)C[*:1]
CC(C)OCCS(=O)(=O)[N-]c1ccccc1[C@@H](C)Cl CC(C)O[*:1] C[C@@H](Cl)c1ccccc1[N-]S(=O)(=O)CC[*:1]
CC(C)OCCS(=O)(=O)[N-]c1ccccc1[C@@H](C)Cl CC(C)[*:1] C[C@@H](Cl)c1ccccc1[N-]S(=O)(=O)CCO[*:1]
CC(C)OCCS(=O)(=O)[N-]c1ccccc1[C@@H](C)Cl CC(C)OCC[*:1] C[C@@H](Cl)c1ccccc1[N-]S(=O)(=O)[*:1]
CC(C)OCCS(=O)(=O)[N-]c1ccccc1[C@@H](C)Cl C[C@@H](Cl)[*:1] CC(C)OCCS(=O)(=O)[N-]c1ccccc1[*:1]
CCOc1ccc(NC(=O)[C@@H](C)O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOc1ccc(NC(=O)[C@@H](C)O)c(c1)[*:1]
CCOc1ccc(NC(=O)[C@@H](C)O)c([N+](=O)[O-])c1 C[C@@H](O)C(=O)N[*:1] CCOc1ccc(c(c1)[N+](=O)[O-])[*:1]
CCOc1ccc(NC(=O)[C@@H](C)O)c([N+](=O)[O-])c1 C[C@@H](O)[*:1] CCOc1ccc(NC(=O)[*:1])c(c1)[N+](=O)[O-]
CCOc1ccc(NC(=O)[C@@H](C)O)c([N+](=O)[O-])c1 CCO[*:1] C[C@@H](O)C(=O)Nc1ccc(cc1[N+](=O)[O-])[*:1]
Nc1ccc2c(N3CCN(c4ccc(F)cn4)CC3)ncnc2n1 Fc1ccc(nc1)[*:1] Nc1ccc2c(ncnc2n1)N1CCN(CC1)[*:1]
Cc1ccc2c(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)coc2c1 c1ccc(cc1)[*:1] Cc1ccc2c(coc2c1)CC(=O)N1CCN(CC1)C(=O)[*:1]
CCN(CC(C)(C)O)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CCN(CC(C)(C)O)C(=O)[C@@H]1CC[C@@H](C1)NC(=O)O[*:1]
CCN(CC(C)(C)O)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 CC(C)(O)C[*:1] CCN(C(=O)[C@@H]1CC[C@@H](C1)NC(=O)OC(C)(C)C)[*:1]
CCN(CC(C)(C)O)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)[C@@H]1CC[C@@H](C1)NC(=O)OC(C)(C)C
COc1cc(-c2nc3c(s2)CN(C(=S)NC2CC2)CC3)cc(OC)c1OC C1CC1[*:1] COc1cc(cc(OC)c1OC)-c1nc2CCN(Cc2s1)C(=S)N[*:1]
C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C O=[N+]([O-])[*:1] C[C@@H](Oc1cc(F)ccc1[*:1])C(=O)N1c2ccccc2C[C@H]1C
CNc1cc(C(=O)NC2C(C)(C)C2(C)C)ccc1[N+](=O)[O-] CC1(C)C(C1(C)C)[*:1] CNc1cc(ccc1[N+](=O)[O-])C(=O)N[*:1]
CNc1cc(C(=O)NC2C(C)(C)C2(C)C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1cc(ccc1[*:1])C(=O)NC1C(C)(C)C1(C)C
N#Cc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(Cn1cc(cn1)NC(=O)[*:1])NC1CCCC1
N#Cc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1 O=C(NC1CCCC1)[*:1] N#Cc1ccc(cc1)C(=O)Nc1cnn(c1)C[*:1]
N#Cc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1 C1CCC(C1)[*:1] N#Cc1ccc(cc1)C(=O)Nc1cnn(c1)CC(=O)N[*:1]
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCn1c(=O)oc2ccccc21 O=c1oc2ccccc2n1[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC[*:1]
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCn1c(=O)oc2ccccc21 CN(C)S(=O)(=O)[*:1] O=C(CCCn1c(=O)oc2ccccc21)N1CCc2cc(ccc21)[*:1]
COC(=O)c1cc(C)sc1NC(=S)Nc1cc(C)ccc1O COC(=O)[*:1] Cc1ccc(O)c(c1)NC(=S)Nc1sc(C)cc1[*:1]
CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C(=O)c2ccccc2)cc1 Fc1ccc(c(F)c1F)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(cc1)C(=O)c1ccccc1
CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(cc1)[*:1]
CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(cc1)C(=O)[*:1]
CC(C)c1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 CC(C)[*:1] O=C(Nc1cccc(c1)[*:1])C1=CC=CN2CCS(=O)(=O)N=C12
C[C@H]1CN2CCCC[C@@H]2CN1C(=O)[C@H]([NH3+])CC(=O)[O-] O=C([O-])[*:1] C[C@H]1CN2CCCC[C@@H]2CN1C(=O)[C@H]([NH3+])C[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 CS(=O)(=O)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
COc1ccccc1[C@@H](C)N(C)C(=O)CCCn1ccnn1 c1cn(CC[*:1])nn1 COc1ccccc1[C@@H](C)N(C)C(=O)C[*:1]
COc1ccccc1[C@@H](C)N(C)C(=O)CCCn1ccnn1 c1cn(nn1)[*:1] COc1ccccc1[C@@H](C)N(C)C(=O)CCC[*:1]
COc1ccccc1[C@@H](C)N(C)C(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 COc1ccccc1[C@@H](C)N(C)C(=O)CC[*:1]
CCOc1ncccc1C(=O)NNC(=O)CSc1nc2ccccc2s1 CCO[*:1] O=C(CSc1nc2ccccc2s1)NNC(=O)c1cccnc1[*:1]
CC(C)C[C@@H]1COCCN1C(=O)CSc1ccc(C#N)cc1 CC(C)[*:1] N#Cc1ccc(cc1)SCC(=O)N1CCOC[C@H]1C[*:1]
CC(C)C[C@@H]1COCCN1C(=O)CSc1ccc(C#N)cc1 CC(C)C[*:1] N#Cc1ccc(cc1)SCC(=O)N1CCOC[C@H]1[*:1]
COC(C)(C)CNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 COC(C)(C)C[*:1] C[C@@H](CC(=O)N[*:1])c1cccc(c1)C(F)(F)F
COC(C)(C)CNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 COC(C)(C)[*:1] C[C@@H](CC(=O)NC[*:1])c1cccc(c1)C(F)(F)F
COC(C)(C)CNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COC(C)(C)CNC(=O)C[C@H](C)c1cccc(c1)[*:1]
CCCN(CC(F)F)C(=O)N[C@@H]1C[C@H]1C CCC[*:1] C[C@@H]1C[C@H]1NC(=O)N(CC(F)F)[*:1]
CCCN(CC(F)F)C(=O)N[C@@H]1C[C@H]1C C[C@@H]1C[C@H]1[*:1] CCCN(CC(F)F)C(=O)N[*:1]
CCCN(CC(F)F)C(=O)N[C@@H]1C[C@H]1C FC(F)[*:1] CCCN(C[*:1])C(=O)N[C@@H]1C[C@H]1C
CCCN(CC(F)F)C(=O)N[C@@H]1C[C@H]1C FC(F)C[*:1] CCCN(C(=O)N[C@@H]1C[C@H]1C)[*:1]
Cc1c(Cl)cccc1NC(=O)C[NH+](CCO)Cc1ccsc1 c1cc(cs1)C[*:1] Cc1c(Cl)cccc1NC(=O)C[NH+](CCO)[*:1]
Cc1c(Cl)cccc1NC(=O)C[NH+](CCO)Cc1ccsc1 c1cc(cs1)[*:1] Cc1c(Cl)cccc1NC(=O)C[NH+](CCO)C[*:1]
CCOc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1C c1ccc(cc1)[*:1] CCOc1ccc(cc1C)NC(=O)C(=O)NC(c1ccccc1)[*:1]
CCOc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)C(=O)NC(c1ccccc1)c1ccccc1
C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)[*:1]
C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)[C@H](C)c1ccccc1 C1CN(CCO1)C[*:1] C[C@H](NC(=O)N(C)C[C@H](O)[*:1])[C@H](C)c1ccccc1
C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)[C@H](C)[*:1]
C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)[C@H](C)c1ccccc1 C1CN(CCO1)[*:1] C[C@H](NC(=O)N(C)C[C@H](O)C[*:1])[C@H](C)c1ccccc1
Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)c3ccc(C)c(C)c3)cc2c1 Cc1ccc(cc1C)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)c1ccncc1)[*:1]
Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)c3ccc(C)c(C)c3)cc2c1 c1cc(ccn1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)[*:1])c1ccc(C)c(C)c1
O=C(NCCSc1ccccc1)NCCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(NCCSc1ccccc1)NCC[*:1]
O=C(NCCSc1ccccc1)NCCC(=O)N1CCCC1 c1ccc(cc1)S[*:1] O=C(NCCC(=O)N1CCCC1)NCC[*:1]
O=C(NCCSc1ccccc1)NCCC(=O)N1CCCC1 c1ccc(cc1)[*:1] O=C(NCCS[*:1])NCCC(=O)N1CCCC1
O=C(N/C(=C/c1ccco1)C(=O)N1CCOCC1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(/C(=C\c1ccco1)NC(=O)[*:1])N1CCOCC1
O=C(N/C(=C/c1ccco1)C(=O)N1CCOCC1)c1ccccc1Cl O=C(N1CCOCC1)[*:1] O=C(N/C(=C/c1ccco1)[*:1])c1ccccc1Cl
O=C(N/C(=C/c1ccco1)C(=O)N1CCOCC1)c1ccccc1Cl c1coc(c1)[*:1] O=C(NC(=C[*:1])C(=O)N1CCOCC1)c1ccccc1Cl
Cc1ccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccccc2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)NC(=O)c1ccc2c(c1)nnn2[*:1]
Cc1ccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)c1ccc2c(c1)nnn2C[*:1]
Cc1ccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccccc2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])c1ccc2c(c1)nnn2Cc1ccccc1
Cc1c(C(=O)NCC2(C)CCCC2)cnn1-c1ccc([O-])nn1 [O-]c1ccc(nn1)[*:1] Cc1c(cnn1[*:1])C(=O)NCC1(C)CCCC1
Cc1c(C(=O)NCC2(C)CCCC2)cnn1-c1ccc([O-])nn1 CC1(CCCC1)C[*:1] Cc1c(cnn1-c1ccc([O-])nn1)C(=O)N[*:1]
Cc1c(C(=O)NCC2(C)CCCC2)cnn1-c1ccc([O-])nn1 CC1(CCCC1)[*:1] Cc1c(cnn1-c1ccc([O-])nn1)C(=O)NC[*:1]
Cc1cc(C)n(C(=O)CSc2nnc(NC(=O)c3ccccc3)s2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)C(=O)CSc1nnc(NC(=O)[*:1])s1
Cc1ccc(C)c(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 Cc1ccc(C)c(c1)[*:1] O=C(CO[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
Cc1ccc(C)c(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 Cc1ccc(C)c(c1)O[*:1] O=C(C[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
O=C(N/N=C/[C@@H]1C=NN=C1c1ccccc1)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=C(N/N=C/[C@@H]1C=NN=C1[*:1])c1ccc2ccccc2c1
Cc1cnn(CC(=O)N2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1 Cc1cnn(c1)[*:1] C[C@@H]1C[C@@H](n2nc(cc2N1)[C@@H]1CCCN1C(=O)C[*:1])C(F)(F)F
Cc1cnn(CC(=O)N2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1 Cc1cnn(c1)C[*:1] C[C@@H]1C[C@@H](n2nc(cc2N1)[C@@H]1CCCN1C(=O)[*:1])C(F)(F)F
Cc1cnn(CC(=O)N2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1 FC(F)(F)[*:1] Cc1cnn(c1)CC(=O)N1CCC[C@H]1c1cc2N[C@H](C)C[C@H](n2n1)[*:1]
C[C@@H](CCNC(=O)N1CCC[C@H]1CN1CCOCC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NCC[*:1])N1CCC[C@H]1CN1CCOCC1
C[C@@H](CCNC(=O)N1CCC[C@H]1CN1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] C[C@@H](CCNC(=O)N1CCC[C@H]1C[*:1])c1ccccc1
C[C@@H](CCNC(=O)N1CCC[C@H]1CN1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CCNC(=O)N1CCC[C@H]1CN1CCOCC1)[*:1]
C[C@@H](CCNC(=O)N1CCC[C@H]1CN1CCOCC1)c1ccccc1 C1CN(CCO1)C[*:1] C[C@@H](CCNC(=O)N1CCC[C@@H]1[*:1])c1ccccc1
N#Cc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)Oc1ccc(cc1N)[*:1]
CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCC(C)(C)C[C@@H](C)O c1ccc(cc1)[*:1] CC(C)[C@@H](N(C)C(=O)NCC(C)(C)C[C@@H](C)O)[*:1]
CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCC(C)(C)C[C@@H](C)O C[C@@H](O)CC(C)(C)[*:1] CC(C)[C@@H](c1ccccc1)N(C)C(=O)NC[*:1]
CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCC(C)(C)C[C@@H](C)O C[C@@H](O)[*:1] CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCC(C)(C)C[*:1]
CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCC(C)(C)C[C@@H](C)O C[C@@H](O)C[*:1] CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCC(C)(C)[*:1]
CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCC(C)(C)C[C@@H](C)O CC(C)[*:1] C[C@@H](O)CC(C)(C)CNC(=O)N(C)[C@H](c1ccccc1)[*:1]
CC[C@@H](NC(=O)N[C@H]1CC[C@H](SC)C1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NC(=O)N[C@H]1CC[C@@H](C1)SC)c1nc(cs1)[*:1]
CC(C)COCCNC(=O)Nc1ccc(Cl)cc1Cl CC(C)COC[*:1] O=C(NC[*:1])Nc1ccc(Cl)cc1Cl
CC(C)COCCNC(=O)Nc1ccc(Cl)cc1Cl CC(C)C[*:1] O=C(NCCO[*:1])Nc1ccc(Cl)cc1Cl
CC(C)COCCNC(=O)Nc1ccc(Cl)cc1Cl CC(C)[*:1] O=C(NCCOC[*:1])Nc1ccc(Cl)cc1Cl
CC(C)COCCNC(=O)Nc1ccc(Cl)cc1Cl CC(C)CO[*:1] O=C(NCC[*:1])Nc1ccc(Cl)cc1Cl
CC(=O)Nc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 O=C(N[*:1])c1ccccc1 CC(=O)Nc1ccc(cc1)NC(=O)Cc1csc(n1)[*:1]
CC(=O)Nc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)Cc1csc(n1)NC(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 CC(=O)N[*:1] O=C(Cc1csc(n1)NC(=O)c1ccccc1)Nc1ccc(cc1)[*:1]
Cc1cc([N+](=O)[O-])cnc1Nc1cccc(C[S@](C)=O)c1 C[S@](=O)C[*:1] Cc1cc(cnc1Nc1cccc(c1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1Nc1cccc(C[S@](C)=O)c1 O=[N+]([O-])[*:1] Cc1cc(cnc1Nc1cccc(c1)C[S@](C)=O)[*:1]
CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)C1 CC(C)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)C1 CC(C)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)C1 FC(F)(F)CO[*:1] CC(C)CNC(=O)[C@H]1CCCN(C1)C(=O)c1cnc(c(Cl)c1)[*:1]
CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)C1 FC(F)(F)[*:1] CC(C)CNC(=O)[C@H]1CCCN(C1)C(=O)c1cnc(OC[*:1])c(Cl)c1
CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)C1 FC(F)(F)C[*:1] CC(C)CNC(=O)[C@H]1CCCN(C1)C(=O)c1cnc(O[*:1])c(Cl)c1
CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)C1 CC(C)CNC(=O)[*:1] O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCC[C@@H](C1)[*:1]
CCNc1cncc(N[C@@H](C)c2cccc(F)c2)n1 CCN[*:1] C[C@H](Nc1cncc(n1)[*:1])c1cccc(F)c1
Cc1cc2nc(C)c(=O)n(CCC(=O)N3CCC(Cc4ccccc4)CC3)c2cc1C c1ccc(cc1)C[*:1] Cc1cc2nc(C)c(=O)n(CCC(=O)N3CCC(CC3)[*:1])c2cc1C
Cc1cc2nc(C)c(=O)n(CCC(=O)N3CCC(Cc4ccccc4)CC3)c2cc1C c1ccc(cc1)[*:1] Cc1cc2nc(C)c(=O)n(CCC(=O)N3CCC(CC3)C[*:1])c2cc1C
CC(C)C[NH2+]C[C@@H](Cc1cnn(C)c1)c1ccccc1Cl CC(C)[*:1] Cn1cc(cn1)C[C@H](C[NH2+]C[*:1])c1ccccc1Cl
CC(C)C[NH2+]C[C@@H](Cc1cnn(C)c1)c1ccccc1Cl CC(C)C[*:1] Cn1cc(cn1)C[C@H](C[NH2+][*:1])c1ccccc1Cl
CC(C)C[NH2+]C[C@@H](Cc1cnn(C)c1)c1ccccc1Cl Cn1cc(cn1)[*:1] CC(C)C[NH2+]C[C@@H](C[*:1])c1ccccc1Cl
CC(C)C[NH2+]C[C@@H](Cc1cnn(C)c1)c1ccccc1Cl Cn1cc(cn1)C[*:1] CC(C)C[NH2+]C[C@@H](c1ccccc1Cl)[*:1]
CC(C)C[NH2+]C[C@@H](Cc1cnn(C)c1)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)C[NH2+]C[C@@H](Cc1cnn(C)c1)[*:1]
COc1ccc(-c2csc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)n2)cc1C c1csc(c1)[*:1] COc1ccc(cc1C)-c1csc(n1)NC(=O)[C@@H]1CCCCN1S(=O)(=O)[*:1]
COc1ccc(-c2csc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)n2)cc1C COc1ccc(cc1C)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CCCCN1S(=O)(=O)c1cccs1
Cc1cc(C(=O)NCC[C@@H](O)c2ccoc2)no1 Cc1cc(no1)[*:1] O=C(NCC[C@@H](O)c1ccoc1)[*:1]
Cc1cc(C(=O)NCC[C@@H](O)c2ccoc2)no1 c1cc(co1)[*:1] Cc1cc(no1)C(=O)NCC[C@@H](O)[*:1]
O=C(Cc1cccc2ccccc12)NCc1nnnn1-c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(Cc1cccc2ccccc12)NCc1nnnn1[*:1]
Cc1cc(C)n2c(CN(CC(F)F)C3CC3)cnc2n1 C1CC1[*:1] Cc1cc(C)n2c(cnc2n1)CN(CC(F)F)[*:1]
Cc1cc(C)n2c(CN(CC(F)F)C3CC3)cnc2n1 FC(F)[*:1] Cc1cc(C)n2c(cnc2n1)CN(C[*:1])C1CC1
Cc1cc(C)n2c(CN(CC(F)F)C3CC3)cnc2n1 FC(F)C[*:1] Cc1cc(C)n2c(cnc2n1)CN(C1CC1)[*:1]
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CCCC[C@@H]1[*:1]
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CCCC[C@H]1C[*:1]
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 c1cc(ccn1)[*:1] O=C(C[*:1])NNC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1
O=C(Cc1ccncc1)NNC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 c1cc(ccn1)C[*:1] O=C(NNC(=O)[*:1])N[C@@H]1CCCC[C@H]1Cc1ccccc1
CC(C)(CN[C@H]1CC[C@H]([NH3+])C1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CN[C@H]1CC[C@H]([NH3+])C1)[*:1]
O=S1(=O)CCN(C[C@H](CS)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=S1(=O)CCN(CC1)C[C@H](CS)[*:1]
CCCC[C@@H](C(=O)[O-])[C@H](O)c1ccc(OC)c(O)c1 CCCC[*:1] COc1ccc(cc1O)[C@@H](O)[C@H](C(=O)[O-])[*:1]
CCCC[C@@H](C(=O)[O-])[C@H](O)c1ccc(OC)c(O)c1 O=C([O-])[*:1] CCCC[C@@H]([C@H](O)c1ccc(OC)c(O)c1)[*:1]
CCCC[C@@H](C(=O)[O-])[C@H](O)c1ccc(OC)c(O)c1 CCC[*:1] COc1ccc(cc1O)[C@@H](O)[C@@H](C[*:1])C(=O)[O-]
CCn1ncc(-c2cc(C(F)F)nc(NC)n2)c1C FC(F)[*:1] CCn1ncc(-c2cc(nc(n2)NC)[*:1])c1C
CC[C@@H]1CCC[C@@](C[C@@H]2CSc3ccccc32)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H]1CCC[C@@](C[C@@H]2CSc3ccccc32)(C1)[*:1]
CC(C)(C)c1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1cccc(c1)C(=O)[O-]
CC(C)(C)c1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)cc1 O=C([O-])[*:1] CC(C)(C)c1ccc(cc1)NC(=O)Nc1cccc(c1)[*:1]
CCn1cncc1-c1c(-c2ccccc2)ncn1CC1(O)CCCCC1 CCn1cncc1[*:1] OC1(CCCCC1)Cn1cnc(-c2ccccc2)c1[*:1]
CCn1cncc1-c1c(-c2ccccc2)ncn1CC1(O)CCCCC1 OC1(CCCCC1)C[*:1] CCn1cncc1-c1c(ncn1[*:1])-c1ccccc1
CCn1cncc1-c1c(-c2ccccc2)ncn1CC1(O)CCCCC1 c1ccc(cc1)[*:1] CCn1cncc1-c1c(ncn1CC1(O)CCCCC1)[*:1]
CCn1cncc1-c1c(-c2ccccc2)ncn1CC1(O)CCCCC1 OC1(CCCCC1)[*:1] CCn1cncc1-c1c(ncn1C[*:1])-c1ccccc1
O=C(Cc1ccc([N+](=O)[O-])cc1)NCC#CCOc1cccc2ccccc12 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C[*:1])NCC#CCOc1cccc2ccccc12
O=C(Cc1ccc([N+](=O)[O-])cc1)NCC#CCOc1cccc2ccccc12 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])NCC#CCOc1cccc2ccccc12
CCc1nc(C(=O)N2C[C@H](C)OC[C@@H]2C)nn1-c1ccccc1Cl Clc1ccccc1[*:1] CCc1nc(nn1[*:1])C(=O)N1C[C@H](C)OC[C@@H]1C
C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCn2nc(C(=O)[O-])cc2C1 O=C([O-])[*:1] C[C@@H](Oc1ccc2OCOc2c1)C(=O)N1CCn2nc(cc2C1)[*:1]
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(CC1)[*:1]
CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CS(=O)(=O)N(CC(=O)Nc1ccc(cc1)C(N)=O)[*:1]
CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(Br)cc1 NC(=O)[*:1] CS(=O)(=O)N(CC(=O)Nc1ccc(cc1)[*:1])c1ccc(Br)cc1
O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2F)cc1)C1CC1 O=C(N[*:1])C1CC1 O=C1CS[C@@H](c2ccc(cc2)[*:1])N1c1ccccc1F
O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2F)cc1)C1CC1 Fc1ccccc1[*:1] O=C(Nc1ccc(cc1)[C@@H]1SCC(=O)N1[*:1])C1CC1
O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2F)cc1)C1CC1 C1CC1[*:1] O=C1CS[C@@H](c2ccc(cc2)NC(=O)[*:1])N1c1ccccc1F
CC[C@@H](C)Oc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1 O=[N+]([O-])[*:1] CC[C@@H](C)Oc1ccc(/C=N\Nc2ccc(cn2)[*:1])cc1
CC[C@@H](C)Oc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1 CC[C@@H](C)O[*:1] O=[N+]([O-])c1ccc(nc1)N/N=C\c1ccc(cc1)[*:1]
CC[C@@H](C)Oc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1 CC[C@@H](C)[*:1] O=[N+]([O-])c1ccc(nc1)N/N=C\c1ccc(cc1)O[*:1]
Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)[C@H](C)C(=O)N1CCCCC1 Cc1cccc(C)c1[*:1] C[C@H](C(=O)N1CCCCC1)S(=O)(=O)CCCC(=O)N[*:1]
Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)[C@H](C)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)[C@H](C)[*:1]
N#CCOc1ccc(CC(=O)N2CC=C(c3ccccc3Cl)CC2)cc1 N#CC[*:1] O=C(Cc1ccc(cc1)O[*:1])N1CC=C(CC1)c1ccccc1Cl
N#CCOc1ccc(CC(=O)N2CC=C(c3ccccc3Cl)CC2)cc1 N#CCO[*:1] O=C(Cc1ccc(cc1)[*:1])N1CC=C(CC1)c1ccccc1Cl
N#CCOc1ccc(CC(=O)N2CC=C(c3ccccc3Cl)CC2)cc1 Clc1ccccc1[*:1] N#CCOc1ccc(cc1)CC(=O)N1CC=C(CC1)[*:1]
C[NH+](C)C[C@@H](NC(=O)c1cccc([N-]S(C)(=O)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)C[C@@H](NC(=O)c1cccc(c1)[N-]S(C)(=O)=O)[*:1]
Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1[*:1]
Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Cc1nn(C)c(Cl)c1[*:1] CN1C(=O)C[C@@H](NC(=O)[*:1])[C@H]1c1ccc(Cl)cc1
COc1ccc(F)cc1CS[C@H](C)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] COc1ccc(F)cc1CS[C@H](C)C(=O)N[*:1]
CCN(C(=O)C[C@H](C)CC(C)(C)C)c1ccc(C[NH3+])cc1 C[C@H](CC(C)(C)C)[*:1] CCN(C(=O)C[*:1])c1ccc(cc1)C[NH3+]
CCN(C(=O)C[C@H](C)CC(C)(C)C)c1ccc(C[NH3+])cc1 CC(C)(C)[*:1] CCN(C(=O)C[C@H](C)C[*:1])c1ccc(cc1)C[NH3+]
CCN(C(=O)C[C@H](C)CC(C)(C)C)c1ccc(C[NH3+])cc1 CC(C)(C)C[*:1] CCN(C(=O)C[C@H](C)[*:1])c1ccc(cc1)C[NH3+]
COC(=O)c1ccc(CNC(=O)c2ccc3oc(C(C)C)nc3c2)cc1 CC(C)[*:1] COC(=O)c1ccc(cc1)CNC(=O)c1ccc2oc(nc2c1)[*:1]
COC(=O)c1ccc(CNC(=O)c2ccc3oc(C(C)C)nc3c2)cc1 COC(=O)[*:1] CC(C)c1nc2cc(ccc2o1)C(=O)NCc1ccc(cc1)[*:1]
CC[C@](O)(C(=O)[O-])[C@H](C)c1ccc(F)cc1F O=C([O-])[*:1] CC[C@](O)([C@H](C)c1ccc(F)cc1F)[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1cccc(C#N)c1
CCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1cc(OC)c(O)c(OC)c1 CCC[*:1] COc1cc(cc(OC)c1O)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccc(C)cc1
CCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1cc(OC)c(O)c(OC)c1 Cc1ccc(cc1)[*:1] CCCN1C(=O)c2[nH]nc(c2[C@@H]1c1cc(OC)c(O)c(c1)OC)[*:1]
CC(=O)CC(=O)Nc1ccc(Cl)cn1 CC(=O)[*:1] O=C(C[*:1])Nc1ccc(Cl)cn1
CC(=O)CC(=O)Nc1ccc(Cl)cn1 CC(=O)C[*:1] O=C(Nc1ccc(Cl)cn1)[*:1]
C[C@H](CCc1ccco1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 c1cc(c2nsnc2c1)[*:1] C[C@H](CCc1ccco1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
C[C@H](CCc1ccco1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 c1coc(c1)CC[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1cccc2nsnc12)[*:1]
C[C@H](CCc1ccco1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 C[C@H](CCc1ccco1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1cccc2nsnc12
C[C@H](CCc1ccco1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 c1coc(c1)C[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1cccc2nsnc12
C[C@H](CCc1ccco1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 c1coc(c1)[*:1] C[C@H](CC[*:1])NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1cccc2nsnc12
Cc1cc(Br)ccc1CN(C)Cc1nnc(C2CC2)n1C C1CC1[*:1] Cc1cc(Br)ccc1CN(C)Cc1nnc(n1C)[*:1]
CC[C@H](C(=O)N(C)Cc1ccc(C)o1)n1cccc1 c1ccn(c1)[*:1] CC[C@H](C(=O)N(C)Cc1ccc(C)o1)[*:1]
CC[C@H](C(=O)N(C)Cc1ccc(C)o1)n1cccc1 Cc1ccc(o1)[*:1] CC[C@H](C(=O)N(C)C[*:1])n1cccc1
C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 c1cnn(c1)[*:1] C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@@H]1CCCN(C1)c1cc(ncn1)[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 c1coc(c1)[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1C[C@H](O)[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 O[C@@H](C[*:1])c1ccco1 Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@H]1[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 O[C@H](c1ccco1)[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1C[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 Cc1ccccc1[*:1] O=C([C@H]1C[C@H]1[*:1])N1CCCCC[C@@H]1C[C@H](O)c1ccco1
Cc1ccc2nc(C[C@@H](O)C(F)(F)F)sc2c1 FC(F)(F)[*:1] Cc1ccc2nc(C[C@@H](O)[*:1])sc2c1
COc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] COc1ncccc1[N-]S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccsc1C(=O)N1CCC2(CC1)Cc1ccccc1C2=O Cc1ccsc1[*:1] O=C1c2ccccc2CC12CCN(CC2)C(=O)[*:1]
O=C(/C=C/c1ccccc1OC(F)(F)F)Nc1cccc(NC(=O)NC2CC2)c1 O=C(NC1CC1)N[*:1] O=C(/C=C/c1ccccc1OC(F)(F)F)Nc1cccc(c1)[*:1]
O=C(/C=C/c1ccccc1OC(F)(F)F)Nc1cccc(NC(=O)NC2CC2)c1 FC(F)(F)[*:1] O=C(/C=C/c1ccccc1O[*:1])Nc1cccc(c1)NC(=O)NC1CC1
O=C(/C=C/c1ccccc1OC(F)(F)F)Nc1cccc(NC(=O)NC2CC2)c1 FC(F)(F)O[*:1] O=C(/C=C/c1ccccc1[*:1])Nc1cccc(c1)NC(=O)NC1CC1
O=C(/C=C/c1ccccc1OC(F)(F)F)Nc1cccc(NC(=O)NC2CC2)c1 C1CC1[*:1] O=C(/C=C/c1ccccc1OC(F)(F)F)Nc1cccc(c1)NC(=O)N[*:1]
O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccccc1Cl Clc1ccccc1[*:1] O=C(CNC(=O)c1sc2ccccc2c1Cl)NN=C[*:1]
C=CCn1c(SCCOCC)nc2sc3c(c2c1=O)CCC3 CCOCCS[*:1] C=CCn1c(nc2sc3CCCc3c2c1=O)[*:1]
C=CCn1c(SCCOCC)nc2sc3c(c2c1=O)CCC3 CCOCC[*:1] C=CCn1c(nc2sc3CCCc3c2c1=O)S[*:1]
C=CCn1c(SCCOCC)nc2sc3c(c2c1=O)CCC3 C=CC[*:1] CCOCCSc1nc2sc3CCCc3c2c(=O)n1[*:1]
C=CCn1c(SCCOCC)nc2sc3c(c2c1=O)CCC3 CCOC[*:1] C=CCn1c(nc2sc3CCCc3c2c1=O)SC[*:1]
C=CCn1c(SCCOCC)nc2sc3c(c2c1=O)CCC3 CCO[*:1] C=CCn1c(nc2sc3CCCc3c2c1=O)SCC[*:1]
CCNc1ccc([N+](=O)[O-])c(-c2ccc(C#N)s2)n1 CCN[*:1] N#Cc1ccc(s1)-c1nc(ccc1[N+](=O)[O-])[*:1]
CCNc1ccc([N+](=O)[O-])c(-c2ccc(C#N)s2)n1 O=[N+]([O-])[*:1] CCNc1ccc(c(n1)-c1ccc(C#N)s1)[*:1]
CC[C@H](Cc1ccccc1)NCc1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] CC[C@H](Cc1ccccc1)NCc1cnc(s1)[*:1]
CC[C@H](Cc1ccccc1)NCc1cnc(-c2ccccn2)s1 c1ccc(cc1)C[*:1] CC[C@H](NCc1cnc(s1)-c1ccccn1)[*:1]
CC[C@H](Cc1ccccc1)NCc1cnc(-c2ccccn2)s1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])NCc1cnc(s1)-c1ccccn1
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)N1CCO[C@@H](C)C1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1/C=C/C(=O)N1CCO[C@@H](C)C1
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)N1CCO[C@@H](C)C1 c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)N1CCO[C@@H](C)C1)[*:1]
CN(Cc1cccc(F)c1)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)[*:1] CN(Cc1cccc(F)c1)C(=O)N[C@@H](C[*:1])c1ccccc1
CN(Cc1cccc(F)c1)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cccc(F)c1)C(=O)N[C@@H](CS(C)(=O)=O)[*:1]
CN(Cc1cccc(F)c1)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)C[*:1] CN(Cc1cccc(F)c1)C(=O)N[C@@H](c1ccccc1)[*:1]
CN(Cc1cccc(F)c1)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 Fc1cccc(c1)C[*:1] CN(C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[*:1]
CN(Cc1cccc(F)c1)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 Fc1cccc(c1)[*:1] CN(C[*:1])C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1
C[C@]1(CO)CCC[C@@H]1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@]1(CO)CCC[C@@H]1NC(=O)N[C@@H]1CCCN(C[*:1])C1=O
C[C@]1(CO)CCC[C@@H]1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] C[C@]1(CO)CCC[C@@H]1NC(=O)N[C@@H]1CCCN(C1=O)[*:1]
Cc1ccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1O Cc1ccc(cc1O)[*:1] C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[*:1]
Cc1ccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1O Clc1cccc(c1)C[*:1] Cc1ccc(cc1O)CC(=O)N(CC[NH+](C)C)[*:1]
Cc1ccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1O Clc1cccc(c1)[*:1] Cc1ccc(cc1O)CC(=O)N(CC[NH+](C)C)C[*:1]
C[C@H](O)c1cc[nH+]c(N(C)Cc2cccc(C#N)c2)c1 C[C@H](O)[*:1] CN(Cc1cccc(C#N)c1)c1cc(cc[nH+]1)[*:1]
COc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)cc1F Fc1cccc(c1)[*:1] COc1ccc(cc1F)NC(=S)NNC(=O)[C@@H]1C[C@@H]1[*:1]
COCCCOc1cccc(NC(=O)Nc2ccc(C)cc2C)c1 Cc1ccc(c(C)c1)[*:1] COCCCOc1cccc(c1)NC(=O)N[*:1]
COCCCOc1cccc(NC(=O)Nc2ccc(C)cc2C)c1 COCCCO[*:1] Cc1ccc(NC(=O)Nc2cccc(c2)[*:1])c(C)c1
COCCCOc1cccc(NC(=O)Nc2ccc(C)cc2C)c1 COCC[*:1] Cc1ccc(NC(=O)Nc2cccc(c2)OC[*:1])c(C)c1
COCCCOc1cccc(NC(=O)Nc2ccc(C)cc2C)c1 COC[*:1] Cc1ccc(NC(=O)Nc2cccc(c2)OCC[*:1])c(C)c1
COCCCOc1cccc(NC(=O)Nc2ccc(C)cc2C)c1 COCCC[*:1] Cc1ccc(NC(=O)Nc2cccc(c2)O[*:1])c(C)c1
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@H](NS(=O)(=O)[*:1])C(=O)N1CCC(CC1)[NH+]1CCCC1
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)N1CCC(CC1)[NH+]1CCCC1)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C[*:1])C(=O)N1CCC(CC1)[NH+]1CCCC1
O=c1c(-c2ccc3ccccc3n2)coc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)ccc12 c1ccc2nc(ccc2c1)[*:1] O=c1c(coc2cc(ccc12)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[*:1]
Cc1nc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)sc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1nc(NC(=O)CN2CCN(CC2)C(=O)[C@H]2CCCO2)sc1[*:1]
CC(=C/c1ccccc1)/C=N/NC(=O)CSc1nnc([O-])[nH]c1=O c1ccc(cc1)[*:1] CC(=C[*:1])/C=N/NC(=O)CSc1nnc([O-])[nH]c1=O
O=C(c1cc(C2CC2)on1)N1CCCCCCC1 C1CC1[*:1] O=C(c1cc(on1)[*:1])N1CCCCCCC1
CN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1ccnc1 c1cn(cn1)C[*:1] CN(C)C(=O)[C@@H]1CSCN1C(=O)[*:1]
CN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1ccnc1 c1cn(cn1)[*:1] CN(C)C(=O)[C@@H]1CSCN1C(=O)C[*:1]
CN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1ccnc1 CN(C)C(=O)[*:1] O=C(Cn1ccnc1)N1CSC[C@H]1[*:1]
CC(C)c1nc(C(=O)NC[C@H](C)C[C@@H](C)O)nn1-c1cccc(F)c1 C[C@@H](O)C[*:1] CC(C)c1nc(nn1-c1cccc(F)c1)C(=O)NC[C@H](C)[*:1]
CC(C)c1nc(C(=O)NC[C@H](C)C[C@@H](C)O)nn1-c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)c1nc(nn1[*:1])C(=O)NC[C@H](C)C[C@@H](C)O
CC(C)c1nc(C(=O)NC[C@H](C)C[C@@H](C)O)nn1-c1cccc(F)c1 C[C@@H](O)[*:1] CC(C)c1nc(nn1-c1cccc(F)c1)C(=O)NC[C@H](C)C[*:1]
CC(C)c1nc(C(=O)NC[C@H](C)C[C@@H](C)O)nn1-c1cccc(F)c1 CC(C)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)c1nc(n(n1)-c1cccc(F)c1)[*:1]
CN(C)c1nc(CNCc2cccc(Cl)c2Cl)cs1 CN(C)[*:1] Clc1cccc(CNCc2csc(n2)[*:1])c1Cl
CCOc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=N3)cc1 CCO[*:1] COc1ccc(cc1OC)[C@H]1C2=C(N=C3N=CNN31)c1cc(C)ccc1O[C@H]2c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=N3)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1C2=C(N=C3N=CNN31)c1cc(C)ccc1O[C@H]2[*:1]
CCOc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=N3)cc1 COc1ccc(cc1OC)[*:1] CCOc1ccc(cc1)[C@@H]1Oc2ccc(C)cc2C2N=C3N=CNN3[C@@H](C=21)[*:1]
CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O Fc1ccc(c(F)c1F)[*:1] CN(CC(=O)N[*:1])C(=O)CCN1C(=O)NC2(CCCCC2)C1=O
CCOc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)NC1CCCCC1
CCOc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] CCOc1ccc(cc1)NC(=O)C(=O)N[*:1]
CCCn1nc(C(=O)N2CCN(CC)CC2)c2ccccc2c1=O CCC[*:1] CCN1CCN(CC1)C(=O)c1nn(c(=O)c2ccccc12)[*:1]
CSc1ccccc1NC(=O)c1csc(-c2cc3ccccc3n2C)n1 CSc1ccccc1[*:1] Cn1c(cc2ccccc21)-c1nc(cs1)C(=O)N[*:1]
CN(C)NC(=O)c1ccsc1NC(=O)Cc1ccccc1 CN(C)NC(=O)[*:1] O=C(Cc1ccccc1)Nc1sccc1[*:1]
CN(C)NC(=O)c1ccsc1NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CN(C)NC(=O)c1ccsc1NC(=O)C[*:1]
CN(C)NC(=O)c1ccsc1NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] CN(C)NC(=O)c1ccsc1NC(=O)[*:1]
CC(C)n1cnnc1CN[C@H]1CCSc2ccc(F)cc21 CC(C)[*:1] Fc1ccc2SCC[C@H](NCc3nncn3[*:1])c2c1
CN(C(=O)NCCn1cccc1)[C@H]1CCN(c2ccccc2)C1=O c1ccn(c1)CC[*:1] CN(C(=O)N[*:1])[C@H]1CCN(C1=O)c1ccccc1
CN(C(=O)NCCn1cccc1)[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(C(=O)NCCn1cccc1)[C@H]1CCN(C1=O)[*:1]
CN(C(=O)NCCn1cccc1)[C@H]1CCN(c2ccccc2)C1=O c1ccn(c1)[*:1] CN(C(=O)NCC[*:1])[C@H]1CCN(C1=O)c1ccccc1
CN(C(=O)NCCn1cccc1)[C@H]1CCN(c2ccccc2)C1=O c1ccn(c1)C[*:1] CN(C(=O)NC[*:1])[C@H]1CCN(C1=O)c1ccccc1
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C)c1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCCC[C@@H]1C)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C)c1 C[C@H]1CCCCN1C(=O)[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CCc1ccc(C(=O)NNC(=O)c2ccc(C(=O)N(C)C)cc2)cc1 CN(C)C(=O)[*:1] CCc1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)[*:1]
CCc1ccc(C(=O)NNC(=O)c2ccc(C(=O)N(C)C)cc2)cc1 CCc1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)NNC(=O)[*:1]
O=C(CCc1cc(Cl)no1)N1CCC[NH+](C2CCCC2)CC1 Clc1cc(C[*:1])on1 O=C(C[*:1])N1CCC[NH+](CC1)C1CCCC1
O=C(CCc1cc(Cl)no1)N1CCC[NH+](C2CCCC2)CC1 Clc1cc(on1)[*:1] O=C(CC[*:1])N1CCC[NH+](CC1)C1CCCC1
O=C(CCc1cc(Cl)no1)N1CCC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(CCc1cc(Cl)no1)N1CCC[NH+](CC1)[*:1]
Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccc(=O)n(C)n3)ccc1O2 Cn1nc(ccc1=O)[*:1] Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)NC(=O)[*:1]
CCC[C@H](C)C(=O)Nc1ccccc1C(=O)Nc1nnc(CC)s1 CCC[*:1] CCc1nnc(NC(=O)c2ccccc2NC(=O)[C@@H](C)[*:1])s1
CCC[C@H](C)C(=O)Nc1ccccc1C(=O)Nc1nnc(CC)s1 CCc1nnc(s1)[*:1] CCC[C@H](C)C(=O)Nc1ccccc1C(=O)N[*:1]
CCC[C@H](C)C(=O)Nc1ccccc1C(=O)Nc1nnc(CC)s1 CCC[C@H](C)[*:1] CCc1nnc(NC(=O)c2ccccc2NC(=O)[*:1])s1
CCC[C@H](C)C(=O)Nc1ccccc1C(=O)Nc1nnc(CC)s1 CCC[C@H](C)C(=O)N[*:1] CCc1nnc(NC(=O)c2ccccc2[*:1])s1
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)CN(C)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NC[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C)cc2)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N[*:1]
CN(C(=O)[C@@H]1CSCN1C(=O)c1cc(C#N)cn1C)C1CC1 CN(C(=O)[*:1])C1CC1 Cn1cc(C#N)cc1C(=O)N1CSC[C@H]1[*:1]
CN(C(=O)[C@@H]1CSCN1C(=O)c1cc(C#N)cn1C)C1CC1 C1CC1[*:1] CN(C(=O)[C@@H]1CSCN1C(=O)c1cc(C#N)cn1C)[*:1]
NC(=O)CSC1=NC=NC2=NC=N[C@H]21 NC(=O)[*:1] C1=NC2=NC=N[C@H]2C(=N1)SC[*:1]
NC(=O)CSC1=NC=NC2=NC=N[C@H]21 NC(=O)C[*:1] C1=NC2=NC=N[C@H]2C(=N1)S[*:1]
CCOc1ccc(F)c(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)c1F CCO[*:1] CC[C@H](NC(=O)c1c(F)ccc(c1F)[*:1])c1cccc(c1)[N+](=O)[O-]
CCOc1ccc(F)c(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)c1F O=[N+]([O-])[*:1] CCOc1ccc(F)c(C(=O)N[C@@H](CC)c2cccc(c2)[*:1])c1F
Cc1ccc(CC2(CC(C)C)C[NH2+]C2)cc1C CC(C)[*:1] Cc1ccc(cc1C)CC1(C[NH2+]C1)C[*:1]
Cc1ccc(CC2(CC(C)C)C[NH2+]C2)cc1C CC(C)C[*:1] Cc1ccc(cc1C)CC1(C[NH2+]C1)[*:1]
CC(C)(C)c1nn(C2CCCCC2)c(N)c1[N+](=O)[O-] CC(C)(C)[*:1] Nc1c(c(nn1C1CCCCC1)[*:1])[N+](=O)[O-]
CC(C)(C)c1nn(C2CCCCC2)c(N)c1[N+](=O)[O-] C1CCC(CC1)[*:1] CC(C)(C)c1nn(c(N)c1[N+](=O)[O-])[*:1]
CC(C)(C)c1nn(C2CCCCC2)c(N)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)c1nn(c(N)c1[*:1])C1CCCCC1
Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(nc1)[*:1]
O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1noc(-c2cccs2)n1 c1csc(c1)[*:1] O=c1oc2cc(ccc2n1Cc1noc(n1)[*:1])[N+](=O)[O-]
O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1noc(-c2cccs2)n1 O=[N+]([O-])[*:1] O=c1oc2cc(ccc2n1Cc1noc(n1)-c1cccs1)[*:1]
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C)[C@H](C)C1CCCCC1 C[C@H](C1CCCCC1)[*:1] C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C)[*:1]
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C)[C@H](C)C1CCCCC1 Cn1cc(cn1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)N[C@H](C)[C@H](C)C1CCCCC1
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C)[C@H](C)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C)[C@H](C)[*:1]
COc1ncnc2c1nc(N)n2[C@@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1ncnc2c1nc(N)n2[C@@H](C)[*:1]
Cc1ccccc1NC(=O)c1n[nH]c(C(C)C)n1 CC(C)[*:1] Cc1ccccc1NC(=O)c1n[nH]c(n1)[*:1]
Cc1cc(C)cc(-c2nnc(Sc3cc(C)c([N+](=O)[O-])cn3)o2)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc(ncc1[N+](=O)[O-])Sc1nnc(o1)[*:1]
Cc1cc(C)cc(-c2nnc(Sc3cc(C)c([N+](=O)[O-])cn3)o2)c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)-c1nnc(o1)Sc1cc(C)c(cn1)[*:1]
CCOC(=O)c1cccc(NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)n1 CCOC(=O)[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNc1cccc(n1)[*:1]
CCOC(=O)NCC[C@H](O)c1cccc2ccccc12 CCOC(=O)N[*:1] O[C@@H](CC[*:1])c1cccc2ccccc12
CC(=O)N1CC[C@@H]([NH2+][C@@H](C)[C@H](C)c2ccccc2)C1 c1ccc(cc1)[*:1] CC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)[C@H](C)[*:1]
O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1ccccc1)SCC(O)=N2 c1ccc(cc1)[*:1] O=c1[nH]n(c2N=C(O)CS[C@H](c21)[*:1])C1CCCCC1
O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1ccccc1)SCC(O)=N2 C1CCC(CC1)[*:1] O=c1[nH]n(c2N=C(O)CS[C@H](c3ccccc3)c21)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
Cc1cccc([C@@H](CNS(=O)(=O)c2c(C)nn(C)c2C)N2CCOCC2)c1 Cc1cccc(c1)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1cccc([C@@H](CNS(=O)(=O)c2c(C)nn(C)c2C)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H](CNS(=O)(=O)c1c(C)nn(C)c1C)[*:1]
Cc1cccc([C@@H](CNS(=O)(=O)c2c(C)nn(C)c2C)N2CCOCC2)c1 Cc1nn(C)c(C)c1[*:1] Cc1cccc(c1)[C@@H](CNS(=O)(=O)[*:1])N1CCOCC1
C=C(Cl)CN1CCN(c2ccccc2O)CC1 C=C(Cl)C[*:1] Oc1ccccc1N1CCN(CC1)[*:1]
C=C(Cl)CN1CCN(c2ccccc2O)CC1 C=C(Cl)[*:1] Oc1ccccc1N1CCN(CC1)C[*:1]
CCCOc1ccc([C@@H]([NH2+]C)c2c(F)cccc2F)cc1 CCC[*:1] C[NH2+][C@H](c1ccc(cc1)O[*:1])c1c(F)cccc1F
CCCOc1ccc([C@@H]([NH2+]C)c2c(F)cccc2F)cc1 CCCO[*:1] C[NH2+][C@H](c1ccc(cc1)[*:1])c1c(F)cccc1F
CC1=C2[C@H](N=N1)NC(=O)C[C@@H]2c1ccc(OCc2cccc(C)c2)cc1 Cc1cccc(c1)C[*:1] CC1N=N[C@@H]2NC(=O)C[C@@H](C=12)c1ccc(cc1)O[*:1]
CC1=C2[C@H](N=N1)NC(=O)C[C@@H]2c1ccc(OCc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CC1N=N[C@@H]2NC(=O)C[C@@H](C=12)c1ccc(cc1)OC[*:1]
CC1(C)[C@@](C)(C(=O)[O-])CC[C@]1(C)C(=O)Nc1ccc(Cl)cc1Cl O=C([O-])[*:1] CC1(C)[C@](C)(CC[C@@]1(C)[*:1])C(=O)Nc1ccc(Cl)cc1Cl
Cc1csc(N(C(=O)/C=C/c2cnc(C(C)(C)C)s2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)N(C(=O)/C=C/c1cnc(s1)C(C)(C)C)[*:1]
Cc1csc(N(C(=O)/C=C/c2cnc(C(C)(C)C)s2)C2CC2)n1 CC(C)(C)[*:1] Cc1csc(n1)N(C(=O)/C=C/c1cnc(s1)[*:1])C1CC1
Cc1csc(N(C(=O)/C=C/c2cnc(C(C)(C)C)s2)C2CC2)n1 Cc1csc(n1)[*:1] CC(C)(C)c1ncc(/C=C/C(=O)N(C2CC2)[*:1])s1
CCCOc1cccc(NC(=O)N(CC(C)C)C2CC2)c1 CC(C)[*:1] CCCOc1cccc(c1)NC(=O)N(C[*:1])C1CC1
CCCOc1cccc(NC(=O)N(CC(C)C)C2CC2)c1 CCC[*:1] CC(C)CN(C(=O)Nc1cccc(c1)O[*:1])C1CC1
CCCOc1cccc(NC(=O)N(CC(C)C)C2CC2)c1 CC(C)C[*:1] CCCOc1cccc(c1)NC(=O)N(C1CC1)[*:1]
CCCOc1cccc(NC(=O)N(CC(C)C)C2CC2)c1 C1CC1[*:1] CCCOc1cccc(c1)NC(=O)N(CC(C)C)[*:1]
CCCOc1cccc(NC(=O)N(CC(C)C)C2CC2)c1 CCCO[*:1] CC(C)CN(C(=O)Nc1cccc(c1)[*:1])C1CC1
CC(C)[C@H]1CN(C(=O)c2cncc(Br)c2)c2ccccc2N1 Brc1cncc(c1)[*:1] CC(C)[C@H]1CN(C(=O)[*:1])c2ccccc2N1
CC(C)[C@H]1CN(C(=O)c2cncc(Br)c2)c2ccccc2N1 CC(C)[*:1] O=C(c1cncc(Br)c1)N1C[C@@H](Nc2ccccc21)[*:1]
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)Cn1cnc3ccccc3c1=O)C2 c1ccn(c1)[*:1] CC(C)(C)n1nc2CN(Cc2c1[*:1])C(=O)Cn1cnc2ccccc2c1=O
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)Cn1cnc3ccccc3c1=O)C2 CC(C)(C)[*:1] O=C(Cn1cnc2ccccc2c1=O)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
CC[C@@H](Nc1ccc([N+](=O)[O-])c(N)n1)C(=O)[O-] O=[N+]([O-])[*:1] CC[C@@H](Nc1ccc(c(N)n1)[*:1])C(=O)[O-]
CC[C@@H](Nc1ccc([N+](=O)[O-])c(N)n1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](Nc1ccc(c(N)n1)[N+](=O)[O-])[*:1]
C[C@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)/C=C/c1nc2ccccc2s1)[*:1]
COc1cc(C=O)cc(I)c1OCC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] COc1cc(C=O)cc(I)c1OCC(=O)N[*:1]
CN(C)C(=O)[C@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@@]12CCc1ccccc1C(=O)N2 c1ccc(cc1)C[*:1] CN(C)C(=O)[C@H]1CN(C[C@@]12CCc1ccccc1C(=O)N2)C(=O)[C@H]([NH3+])[*:1]
CN(C)C(=O)[C@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@@]12CCc1ccccc1C(=O)N2 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H]1CN(C[C@@]12CCc1ccccc1C(=O)N2)C(=O)[C@H]([NH3+])C[*:1]
CN(C)C(=O)[C@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@@]12CCc1ccccc1C(=O)N2 CN(C)C(=O)[*:1] [NH3+][C@H](Cc1ccccc1)C(=O)N1C[C@@H]([C@]2(CCc3ccccc3C(=O)N2)C1)[*:1]
Cc1cc([C@H](CO)[NH2+]C2CCCC2)ccc1Br C1CCC(C1)[*:1] Cc1cc(ccc1Br)[C@H](CO)[NH2+][*:1]
C/C(=N/Nc1ccccc1C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 O=C([O-])[*:1] C/C(=N/Nc1ccccc1[*:1])c1ccc(cc1)S(C)(=O)=O
C/C(=N/Nc1ccccc1C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C/C(=N/Nc1ccccc1C(=O)[O-])c1ccc(cc1)[*:1]
CC1(C)CCC[C@@]1(NC(=O)OCc1ccccc1)C(=O)[O-] c1ccc(cc1)C[*:1] CC1(C)CCC[C@@]1(NC(=O)O[*:1])C(=O)[O-]
CC1(C)CCC[C@@]1(NC(=O)OCc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CC1(C)CCC[C@@]1(NC(=O)OC[*:1])C(=O)[O-]
CC(=O)Nc1cccc(OCCNC(=O)N2CCOC(C)(C)C2)c1 CC(=O)N[*:1] CC1(C)CN(CCO1)C(=O)NCCOc1cccc(c1)[*:1]
Cn1/c(=N/C(=O)c2ccc(F)cc2)sc2ccc([N+](=O)[O-])cc21 Fc1ccc(cc1)[*:1] Cn1/c(=N/C(=O)[*:1])sc2ccc(cc21)[N+](=O)[O-]
Cn1/c(=N/C(=O)c2ccc(F)cc2)sc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] Cn1/c(=N/C(=O)c2ccc(F)cc2)sc2ccc(cc21)[*:1]
COc1ccc(CCCNC(=O)N2CCOC[C@@H]2C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CCCNC(=O)N1CCOC[C@H]1[*:1]
C/N=c1\scc(-c2cccs2)n1/N=C/c1ccccc1 c1csc(c1)[*:1] C/N=c1\scc(n1/N=C/c1ccccc1)[*:1]
C/N=c1\scc(-c2cccs2)n1/N=C/c1ccccc1 c1ccc(cc1)[*:1] C/N=c1\scc(-c2cccs2)n1N=C[*:1]
CCOc1ccc(Br)cc1C(=O)NC(=S)N1CCc2ccccc21 CCO[*:1] O=C(NC(=S)N1CCc2ccccc21)c1cc(Br)ccc1[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)NCCn1c(C)nc2ccccc21 Cc1noc(C)c1[*:1] Cc1nc2ccccc2n1CCNC(=O)c1ccccc1OC[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)NCCn1c(C)nc2ccccc21 Cc1noc(C)c1CO[*:1] Cc1nc2ccccc2n1CCNC(=O)c1ccccc1[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)NCCn1c(C)nc2ccccc21 Cc1nc2ccccc2n1[*:1] Cc1noc(C)c1COc1ccccc1C(=O)NCC[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)NCCn1c(C)nc2ccccc21 Cc1noc(C)c1C[*:1] Cc1nc2ccccc2n1CCNC(=O)c1ccccc1O[*:1]
CC[C@@H](CSC)N(C)C(=O)Cc1cccnc1 CSC[*:1] CC[C@@H](N(C)C(=O)Cc1cccnc1)[*:1]
Fc1ccc([C@@H](CC[C@H]2CCCO2)C[NH2+]C2CC2)cc1 C1CO[C@H](C1)[*:1] Fc1ccc(cc1)[C@@H](CC[*:1])C[NH2+]C1CC1
Fc1ccc([C@@H](CC[C@H]2CCCO2)C[NH2+]C2CC2)cc1 C1CC1[*:1] Fc1ccc(cc1)[C@@H](CC[C@H]1CCCO1)C[NH2+][*:1]
Fc1ccc([C@@H](CC[C@H]2CCCO2)C[NH2+]C2CC2)cc1 C1CO[C@H](C1)C[*:1] Fc1ccc(cc1)[C@H](C[NH2+]C1CC1)C[*:1]
CC(C)[NH+](CCCO)CC1(CS)CCC1 OCCC[*:1] CC(C)[NH+](CC1(CS)CCC1)[*:1]
CC(C)[NH+](CCCO)CC1(CS)CCC1 OCC[*:1] CC(C)[NH+](CC1(CS)CCC1)C[*:1]
CC(C)[NH+](CCCO)CC1(CS)CCC1 CC(C)[*:1] OCCC[NH+](CC1(CS)CCC1)[*:1]
Cc1nn(Cc2csc(C=O)c2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(Cc2csc(C=O)c2)c(C)c1[*:1]
N#CCOc1ccc(C(=O)/C=C/c2c(Cl)nc3sccn23)cc1 N#CC[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)c1ccc(cc1)O[*:1]
N#CCOc1ccc(C(=O)/C=C/c2c(Cl)nc3sccn23)cc1 N#CCO[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)c1ccc(cc1)[*:1]
Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc4cccc5c4c3CC5)CC2)n1 C1CCN(CC1)[*:1] Cc1cc(nc(n1)N1CCN(CC1)S(=O)(=O)c1ccc2cccc3CCc1c32)[*:1]
Cc1ccc(C[NH+]2CCC(c3nnc(Cn4cncn4)n3C)CC2)s1 c1ncn(n1)[*:1] Cc1ccc(C[NH+]2CCC(CC2)c2nnc(C[*:1])n2C)s1
Cc1ccc(C[NH+]2CCC(c3nnc(Cn4cncn4)n3C)CC2)s1 c1ncn(C[*:1])n1 Cc1ccc(C[NH+]2CCC(CC2)c2nnc(n2C)[*:1])s1
Cc1ccc(C[NH+]2CCC(c3nnc(Cn4cncn4)n3C)CC2)s1 Cc1ccc(C[*:1])s1 Cn1c(Cn2cncn2)nnc1C1CC[NH+](CC1)[*:1]
Cc1ccc(C[NH+]2CCC(c3nnc(Cn4cncn4)n3C)CC2)s1 Cc1ccc(s1)[*:1] Cn1c(Cn2cncn2)nnc1C1CC[NH+](CC1)C[*:1]
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OCCc2ccccc2)c1 c1ccc(cc1)CCO[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCCCC1)c1cccc(c1)[*:1]
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OCCc2ccccc2)c1 O=C(N1CCCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)OCCc1ccccc1
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OCCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCCCC1)c1cccc(c1)OCC[*:1]
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OCCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCCCC1)c1cccc(c1)OC[*:1]
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OCCc2ccccc2)c1 c1ccc(cc1)CC[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCCCC1)c1cccc(c1)O[*:1]
CC1(C)CN(Cc2ccc(-c3nc([C@H]4CCC[NH2+]C4)cc(=O)[nH]3)cc2)CCO1 CC1(C)CN(CCO1)[*:1] O=c1cc(nc([nH]1)-c1ccc(cc1)C[*:1])[C@H]1CCC[NH2+]C1
CC1(C)CN(Cc2ccc(-c3nc([C@H]4CCC[NH2+]C4)cc(=O)[nH]3)cc2)CCO1 CC1(C)CN(CCO1)C[*:1] O=c1cc(nc([nH]1)-c1ccc(cc1)[*:1])[C@H]1CCC[NH2+]C1
COc1ccc(NC(=O)C[S@@](=O)CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)C[S@](=O)CC(=O)N[*:1]
COc1ccc(NC(=O)C[S@@](=O)CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 Cc1cccc(c1C)[*:1] COc1ccc(cc1)NC(=O)C[S@@](=O)CC(=O)N1CCN(CC1)[*:1]
COc1ccc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c(OC)c1 C1CC1[*:1] COc1ccc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c(c1)OC
CN(C(=O)CCSc1ccccn1)C1CCC1 C1CC(C1)[*:1] CN(C(=O)CCSc1ccccn1)[*:1]
CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(F)c(F)c1F CC(C)[*:1] O=c1[nH]n(c2N=C(O)CS[C@H](c3ccc(F)c(F)c3F)c21)[*:1]
CS(=O)(=O)Cc1cccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c1 c1ccc(cc1)C[*:1] CS(=O)(=O)Cc1cccc(c1)C(=O)N1CCN(C2(CCCCC2)C1)[*:1]
CS(=O)(=O)Cc1cccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c1 CS(=O)(=O)C[*:1] O=C(c1cccc(c1)[*:1])N1CCN(Cc2ccccc2)C2(CCCCC2)C1
CS(=O)(=O)Cc1cccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c1 c1ccc(cc1)[*:1] CS(=O)(=O)Cc1cccc(c1)C(=O)N1CCN(C[*:1])C2(CCCCC2)C1
CS(=O)(=O)Cc1cccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c1 CS(=O)(=O)[*:1] O=C(c1cccc(c1)C[*:1])N1CCN(Cc2ccccc2)C2(CCCCC2)C1
C[C@@H](CCO)SCC(=O)N1CC[NH2+]CC1 C[C@@H](CCO)[*:1] O=C(CS[*:1])N1CC[NH2+]CC1
C[C@@H](CCO)SCC(=O)N1CC[NH2+]CC1 OCC[*:1] C[C@@H](SCC(=O)N1CC[NH2+]CC1)[*:1]
CCCCc1ccc(C(=O)c2ccc(C)nc2)cc1 CCC[*:1] Cc1ccc(cn1)C(=O)c1ccc(cc1)C[*:1]
CCCCc1ccc(C(=O)c2ccc(C)nc2)cc1 CCCC[*:1] Cc1ccc(cn1)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(CC(=O)N2CCC[C@H](c3n[nH]c(=S)n3C)C2)cc1O Cc1ccc(cc1O)[*:1] Cn1c(n[nH]c1=S)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccc(CC(=O)N2CCC[C@H](c3n[nH]c(=S)n3C)C2)cc1O Cn1c(n[nH]c1=S)[*:1] Cc1ccc(cc1O)CC(=O)N1CCC[C@H](C1)[*:1]
Cc1cccc(Nc2nc3nccc(-c4cccs4)c3c(=O)[nH]2)c1 Cc1cccc(c1)N[*:1] O=c1[nH]c(nc2nccc(-c3cccs3)c12)[*:1]
Cc1cccc(Nc2nc3nccc(-c4cccs4)c3c(=O)[nH]2)c1 Cc1cccc(c1)[*:1] O=c1[nH]c(nc2nccc(-c3cccs3)c12)N[*:1]
Cc1cccc(Nc2nc3nccc(-c4cccs4)c3c(=O)[nH]2)c1 c1csc(c1)[*:1] Cc1cccc(c1)Nc1nc2nccc(c2c(=O)[nH]1)[*:1]
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(O)c(OC)c2)C1=O CCOC(=O)[C@H](C)[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)[*:1])cc(Cl)c1O
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(O)c(OC)c2)C1=O CCOC(=O)[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)[C@@H](C)[*:1])cc(Cl)c1O
O=C(Nc1ccc(Br)cc1F)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cc1F)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(Br)cc1F)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1cc(Br)ccc1[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1ccc(F)cc1)N[*:1]
CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)cc1 COc1ccc(OC)c(c1)[*:1] CCOc1ccc(cc1)[C@@H]1CC(=O)NC2C[C@H](CC(=O)C=21)[*:1]
CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)cc1 CCO[*:1] COc1ccc(OC)c(c1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@H]2[*:1]
CN(C)C(=O)c1ccc(NC(=O)CN[C@H](c2ccccc2)c2cccs2)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)CN[C@H](c1cccs1)[*:1]
CN(C)C(=O)c1ccc(NC(=O)CN[C@H](c2ccccc2)c2cccs2)cc1 c1csc(c1)[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)CN[C@H](c1ccccc1)[*:1]
CN(C)C(=O)c1ccc(NC(=O)CN[C@H](c2ccccc2)c2cccs2)cc1 CN(C)C(=O)[*:1] O=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccc(cc1)[*:1]
Cc1cccc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 Cc1cccc(c1)[*:1] C[NH+](C)CCNC(=O)C1CCN(CC1)C(=O)N[*:1]
CSc1nc2ncn(CC(=O)NCC3CCCCC3)c(=O)c2s1 C1CCC(CC1)C[*:1] CSc1nc2ncn(CC(=O)N[*:1])c(=O)c2s1
CSc1nc2ncn(CC(=O)NCC3CCCCC3)c(=O)c2s1 C1CCC(CC1)[*:1] CSc1nc2ncn(CC(=O)NC[*:1])c(=O)c2s1
O=C(c1cccnc1Cl)N1CCC(c2ccccc2)CC1 Clc1ncccc1[*:1] O=C(N1CCC(CC1)c1ccccc1)[*:1]
O=C(c1cccnc1Cl)N1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccnc1Cl)N1CCC(CC1)[*:1]
COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 O=[N+]([O-])[*:1] COc1cccc(/C=C(\C#N)C(=O)Nc2cc(ccc2Cl)[*:1])c1
COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 COc1cccc(c1)[*:1] N#CC(=C[*:1])C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]
COCc1ccc(C[NH+]2CCCN(C(=O)c3ccsc3)CC2)cc1 c1cc(cs1)[*:1] COCc1ccc(cc1)C[NH+]1CCCN(CC1)C(=O)[*:1]
COCc1ccc(C[NH+]2CCCN(C(=O)c3ccsc3)CC2)cc1 COC[*:1] O=C(c1ccsc1)N1CCC[NH+](CC1)Cc1ccc(cc1)[*:1]
COc1ccc(C(=O)Nc2c(-c3ccc(C)cc3)nc3ccc(C)cn23)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc2ccc(C)cn2c1NC(=O)[*:1]
COc1ccc(C(=O)Nc2c(-c3ccc(C)cc3)nc3ccc(C)cn23)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1c(nc2ccc(C)cn12)[*:1]
C[NH2+]C[C@H]1CCN(C(C)C)[C@H]1c1ccccc1C1CC1 CC(C)[*:1] C[NH2+]C[C@H]1CCN([C@H]1c1ccccc1C1CC1)[*:1]
C[NH2+]C[C@H]1CCN(C(C)C)[C@H]1c1ccccc1C1CC1 C1CC1[*:1] C[NH2+]C[C@H]1CCN(C(C)C)[C@H]1c1ccccc1[*:1]
C[NH+](C)Cc1cccc(NC(=O)NCC2(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)NCC1(CC1)[*:1]
COc1cc(C)c(S(=O)(=O)NCc2ccccc2Cl)cc1C Clc1ccccc1[*:1] COc1cc(C)c(cc1C)S(=O)(=O)NC[*:1]
COc1ccc(-c2csc(NC(=O)c3oc4c(c3C)C(=O)CCC4)n2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)Nc1nc(cs1)[*:1]
CCCO[C@@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 CCCO[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCC[C@H](CC1)[*:1]
CCCO[C@@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 CCC[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCC[C@H](CC1)O[*:1]
CCc1nn(C)cc1C(=O)NNC(=S)NCc1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)NNC(=S)NC[*:1]
CCc1nn(C)cc1C(=O)NNC(=S)NCc1ccccc1 c1ccc(cc1)C[*:1] CCc1nn(C)cc1C(=O)NNC(=S)N[*:1]
CC(C)N(C)C(=O)CSc1nncs1 CC(C)[*:1] CN(C(=O)CSc1nncs1)[*:1]
CCc1c(C)sc(NC(=O)c2ccccc2Cl)c1C(N)=O Clc1ccccc1[*:1] CCc1c(C)sc(NC(=O)[*:1])c1C(N)=O
CCc1c(C)sc(NC(=O)c2ccccc2Cl)c1C(N)=O NC(=O)[*:1] CCc1c(C)sc(NC(=O)c2ccccc2Cl)c1[*:1]
COCC[NH2+]C[C@H]1CCO[C@H]1c1ccc(OC)c(F)c1 COCC[*:1] COc1ccc(cc1F)[C@@H]1OCC[C@@H]1C[NH2+][*:1]
COCC[NH2+]C[C@H]1CCO[C@H]1c1ccc(OC)c(F)c1 COC[*:1] COc1ccc(cc1F)[C@@H]1OCC[C@@H]1C[NH2+]C[*:1]
O=C(Oc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 O=C(Oc1ccc(Cl)cc1)[*:1] O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1c1cccc(c1)[*:1])[C@@H]1C[C@H]31
O=C(Oc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 Clc1ccc(cc1)[*:1] O=C(O[*:1])c1cccc(c1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31
CCC(CC)(CC)NC(=O)N[C@@H](C)CSC CSC[C@H](C)[*:1] CCC(CC)(CC)NC(=O)N[*:1]
CCC(CC)(CC)NC(=O)N[C@@H](C)CSC CSC[*:1] CCC(CC)(CC)NC(=O)N[C@@H](C)[*:1]
C[C@H](NC(=O)C1CCCCC1)C(=O)OCCc1cccs1 C1CCC(CC1)[*:1] C[C@H](NC(=O)[*:1])C(=O)OCCc1cccs1
C[C@H](NC(=O)C1CCCCC1)C(=O)OCCc1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)C1CCCCC1)C(=O)OCC[*:1]
C[C@H](NC(=O)C1CCCCC1)C(=O)OCCc1cccs1 c1csc(c1)C[*:1] C[C@H](NC(=O)C1CCCCC1)C(=O)OC[*:1]
C[C@H](NC(=O)C1CCCCC1)C(=O)OCCc1cccs1 c1csc(c1)CC[*:1] C[C@H](NC(=O)C1CCCCC1)C(=O)O[*:1]
COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc(F)ccc3F)C2)c1 Fc1ccc(F)c(c1)[*:1] COc1cc(cc(c1)[C@@H]1CCN(C1)C(=O)[*:1])OC
CCOC(=O)C1=C(N)OC2=C(COC(C)=C2)[C@H]1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] CCOC(=O)C1=C(N)OC2C=C(C)OCC=2[C@@H]1[*:1]
CCOC(=O)C1=C(N)OC2=C(COC(C)=C2)[C@H]1c1ccc(Cl)cc1Cl CCOC(=O)[*:1] CC1=CC2OC(N)=C([C@@H](C=2CO1)c1ccc(Cl)cc1Cl)[*:1]
O=C1N=C(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)N=C2CCN(Cc3ccccc3)C[C@@H]12 c1ccc(cc1)[*:1] O=C1N=C(N=C2CCN(C[C@@H]12)C[*:1])SCC(=O)N1CCN(CC1)c1ccc(F)cc1
O=C1N=C(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)N=C2CCN(Cc3ccccc3)C[C@@H]12 c1ccc(cc1)C[*:1] O=C1N=C(N=C2CCN(C[C@@H]12)[*:1])SCC(=O)N1CCN(CC1)c1ccc(F)cc1
O=C1N=C(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)N=C2CCN(Cc3ccccc3)C[C@@H]12 Fc1ccc(cc1)[*:1] O=C1N=C(N=C2CCN(Cc3ccccc3)C[C@@H]12)SCC(=O)N1CCN(CC1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1cccc(C(N)=O)c1 NC(=O)[*:1] Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1cccc(c1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1cccc(C(N)=O)c1 Clc1ccc(cc1)[*:1] Cc1nn(c(C)c1C[NH2+]Cc1cccc(c1)C(N)=O)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)Cc2ccc(F)c(F)c2)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)Cc1ccc(F)c(F)c1)[*:1]
O=c1[nH]nc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)[nH]1 O=c1[nH]nc([nH]1)[*:1] Clc1ccc(cc1)-c1n[nH]c(n1)SC[*:1]
COc1ccc(Cl)cc1NC(=O)Cn1nc2c(-c3nc(-c4ccc(C)cc4)no3)cccn2c1=O Cc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)Cn1nc2c(cccn2c1=O)-c1nc(no1)[*:1]
COc1ccc(Cl)cc1NC(=O)Cn1nc2c(-c3nc(-c4ccc(C)cc4)no3)cccn2c1=O COc1ccc(Cl)cc1[*:1] Cc1ccc(cc1)-c1noc(n1)-c1cccn2c(=O)n(CC(=O)N[*:1])nc12
O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccccc1-c1nc2ccccc2s1 c1csc(c1)[*:1] O=C(Cn1nnn(c1=O)[*:1])Nc1ccccc1-c1nc2ccccc2s1
O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccccc1-c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccccc1[*:1]
O=C(Nc1cc(-c2cccc(Cl)c2)no1)c1noc2c1COc1ccccc1-2 Clc1cccc(c1)[*:1] O=C(Nc1cc(no1)[*:1])c1noc2-c3ccccc3OCc12
N#CCCN(CC1CC1)S(=O)(=O)c1cc(F)ccc1Cl N#CC[*:1] O=S(=O)(c1cc(F)ccc1Cl)N(CC1CC1)C[*:1]
N#CCCN(CC1CC1)S(=O)(=O)c1cc(F)ccc1Cl C1CC1[*:1] N#CCCN(C[*:1])S(=O)(=O)c1cc(F)ccc1Cl
N#CCCN(CC1CC1)S(=O)(=O)c1cc(F)ccc1Cl N#CCC[*:1] O=S(=O)(c1cc(F)ccc1Cl)N(CC1CC1)[*:1]
N#CCCN(CC1CC1)S(=O)(=O)c1cc(F)ccc1Cl C1CC1C[*:1] N#CCCN(S(=O)(=O)c1cc(F)ccc1Cl)[*:1]
O=C(CCC(=O)c1cccs1)NC1(c2cccc(Cl)c2)CC1 c1csc(c1)[*:1] O=C(CCC(=O)[*:1])NC1(CC1)c1cccc(Cl)c1
O=C(CCC(=O)c1cccs1)NC1(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(CCC(=O)c1cccs1)NC1(CC1)[*:1]
O=C(CCC(=O)c1cccs1)NC1(c2cccc(Cl)c2)CC1 O=C(c1cccs1)[*:1] O=C(CC[*:1])NC1(CC1)c1cccc(Cl)c1
CC(C)[C@H](C/[NH+]=C(/N)N[C@H]1CCOc2ccccc21)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C/[NH+]=C(/N)N[C@H]1CCOc2ccccc21)N[*:1]
CC(C)[C@H](C/[NH+]=C(/N)N[C@H]1CCOc2ccccc21)Nc1ccccc1 CC(C)[*:1] N/C(N[C@H]1CCOc2ccccc21)=[NH+]/C[C@H](Nc1ccccc1)[*:1]
CC(C)[C@H](C/[NH+]=C(/N)N[C@H]1CCOc2ccccc21)Nc1ccccc1 c1ccc(cc1)N[*:1] CC(C)[C@H](C/[NH+]=C(/N)N[C@H]1CCOc2ccccc21)[*:1]
COc1ccc(Br)cc1/C=N/NC(=O)C[C@H](C)O C[C@H](O)C[*:1] COc1ccc(Br)cc1/C=N/NC(=O)[*:1]
COc1ccc(Br)cc1/C=N/NC(=O)C[C@H](C)O C[C@H](O)[*:1] COc1ccc(Br)cc1/C=N/NC(=O)C[*:1]
CCC(=O)N1CCC([NH+]2CC=C(c3ccc(Cl)cc3)CC2)CC1 Clc1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)[NH+]1CC=C(CC1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C3CC3)cn2)n1 Cc1cc(C)n(n1)[*:1] O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(nc1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C3CC3)cn2)n1 C1CC1[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C3CC3)cn2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N[C@@H](C[*:1])C1CC1
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C3CC3)cn2)n1 c1ccc(cc1)C[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N[C@@H](C1CC1)[*:1]
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCCCc1nc(C)cs1 CCS[*:1] Cc1csc(CCCNC(=O)N[C@H]2CCCC[C@H]2[*:1])n1
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCCCc1nc(C)cs1 Cc1csc(n1)[*:1] CCS[C@@H]1CCCC[C@@H]1NC(=O)NCCC[*:1]
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCCCc1nc(C)cs1 Cc1csc(C[*:1])n1 CCS[C@@H]1CCCC[C@@H]1NC(=O)NCC[*:1]
O=C(NCC[NH+]1CCN(c2nc3c(Cl)cccc3s2)CC1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCC[NH+]1CCN(CC1)c1nc2c(Cl)cccc2s1)[*:1]
Cc1cccc(C2=CCN(C(=O)CC3(CS(C)(=O)=O)CC3)CC2)c1 CS(=O)(=O)CC1(CC1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)C[*:1]
Cc1cccc(C2=CCN(C(=O)CC3(CS(C)(=O)=O)CC3)CC2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)CC1(CC1)CC(=O)N1CC=C(CC1)[*:1]
Cc1cccc(C2=CCN(C(=O)CC3(CS(C)(=O)=O)CC3)CC2)c1 CS(=O)(=O)C[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)CC1(CC1)[*:1]
Cc1cccc(C2=CCN(C(=O)CC3(CS(C)(=O)=O)CC3)CC2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)CC1(CC1)C[*:1]
CC[C@@H](C)NC(=O)CSc1nnc(C(C)C)n1N CC[C@@H](C)[*:1] CC(C)c1nnc(SCC(=O)N[*:1])n1N
CC[C@@H](C)NC(=O)CSc1nnc(C(C)C)n1N CC(C)[*:1] CC[C@@H](C)NC(=O)CSc1nnc(n1N)[*:1]
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CSc1nnc(o1)-c1cccc(c1)[N+](=O)[O-])Nc1cccc(c1)[*:1]
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc(C(F)(F)F)c1 O=[N+]([O-])[*:1] O=C(CSc1nnc(o1)-c1cccc(c1)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc(C(F)(F)F)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(Cn1ccnc1)N1c2ccccc2SC[C@@H]1c1ccccc1 c1cn(cn1)[*:1] O=C(C[*:1])N1c2ccccc2SC[C@@H]1c1ccccc1
O=C(Cn1ccnc1)N1c2ccccc2SC[C@@H]1c1ccccc1 c1cn(cn1)C[*:1] O=C(N1c2ccccc2SC[C@@H]1c1ccccc1)[*:1]
O=C(Cn1ccnc1)N1c2ccccc2SC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1ccnc1)N1c2ccccc2SC[C@H]1[*:1]
Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+]C[C@H]2C[NH+]3CCN2CC3)cc1 Cc1c[nH]c(=O)n1[*:1] C[C@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)c1ccc(cc1)[*:1]
CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Cl)ncn1 CC(C)(C)[*:1] CN(C[C@H]1CCCN1C(=O)O[*:1])c1cc(Cl)ncn1
CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Cl)ncn1 Clc1cc(ncn1)[*:1] CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)[*:1]
CCCCCCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 CCCC[*:1] O=C(NCC[*:1])C1=CC=CN2CCS(=O)(=O)N=C12
CCCCCCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 CCCCCC[*:1] O=C(N[*:1])C1=CC=CN2CCS(=O)(=O)N=C12
CCCCCCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 CCCCC[*:1] O=C(NC[*:1])C1=CC=CN2CCS(=O)(=O)N=C12
CCCCCCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 CCC[*:1] O=C(NCCC[*:1])C1=CC=CN2CCS(=O)(=O)N=C12
CCc1nn(C)cc1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 CCc1nn(C)cc1[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C(C)(C)CNC(=O)NC[*:1]
CC(C)NC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 Fc1cccc(c1)[*:1] CC(C)NC(=O)Nc1ccc(nc1)O[*:1]
CC(C)NC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 CC(C)NC(=O)N[*:1] Fc1cccc(c1)Oc1ccc(cn1)[*:1]
CC(C)NC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 CC(C)[*:1] O=C(Nc1ccc(nc1)Oc1cccc(F)c1)N[*:1]
CC/[NH+]=C(/NCC1CC1)N[C@H]1C[C@H](C)N(c2ccccc2)C1 C1CC1C[*:1] CC/[NH+]=C(\N[C@H]1C[C@H](C)N(C1)c1ccccc1)N[*:1]
CC/[NH+]=C(/NCC1CC1)N[C@H]1C[C@H](C)N(c2ccccc2)C1 C1CC1[*:1] CC/[NH+]=C(/NC[*:1])N[C@H]1C[C@H](C)N(C1)c1ccccc1
CC/[NH+]=C(/NCC1CC1)N[C@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CC/[NH+]=C(/NCC1CC1)N[C@H]1C[C@H](C)N(C1)[*:1]
O=C1N(CCO)C2=CCCC[C@]23c2[nH]c4ccccc4c2CCN13 OCC[*:1] O=C1N2CCc3c([nH]c4ccccc34)[C@]23CCCC=C3N1[*:1]
C=C(C)COc1ccccc1NC(=O)c1cccc(C(=O)OC)c1 COC(=O)[*:1] C=C(C)COc1ccccc1NC(=O)c1cccc(c1)[*:1]
C=C(C)COc1ccccc1NC(=O)c1cccc(C(=O)OC)c1 C=C(C)[*:1] COC(=O)c1cccc(c1)C(=O)Nc1ccccc1OC[*:1]
C=C(C)COc1ccccc1NC(=O)c1cccc(C(=O)OC)c1 C=C(C)C[*:1] COC(=O)c1cccc(c1)C(=O)Nc1ccccc1O[*:1]
C=C(C)COc1ccccc1NC(=O)c1cccc(C(=O)OC)c1 C=C(C)CO[*:1] COC(=O)c1cccc(c1)C(=O)Nc1ccccc1[*:1]
CC(C)C(=O)/C(C#N)=c1\s/c(=C/c2cc(-c3ccccc3)cs2)c(=O)n1C c1ccc(cc1)[*:1] CC(C)C(=O)/C(C#N)=c1\s/c(=C/c2cc(cs2)[*:1])c(=O)n1C
CC(C)C(=O)/C(C#N)=c1\s/c(=C/c2cc(-c3ccccc3)cs2)c(=O)n1C CC(C)[*:1] Cn1c(=O)/c(=C\c2cc(cs2)-c2ccccc2)s/c1=C(/C#N)C(=O)[*:1]
CC(C)C(=O)/C(C#N)=c1\s/c(=C/c2cc(-c3ccccc3)cs2)c(=O)n1C CC(C)C(=O)[*:1] Cn1c(=O)/c(=C\c2cc(cs2)-c2ccccc2)sc1=C(C#N)[*:1]
O=C1CN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)CCN1 c1cncc(c1)C[*:1] O=C1CN(CCN1)C(=O)/C=C/c1ccc(cc1)O[*:1]
O=C1CN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)CCN1 c1cncc(c1)CO[*:1] O=C1CN(CCN1)C(=O)/C=C/c1ccc(cc1)[*:1]
O=C1CN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)CCN1 c1cncc(c1)[*:1] O=C1CN(CCN1)C(=O)/C=C/c1ccc(cc1)OC[*:1]
COc1ccc(NC(C)=O)c(NC(=O)c2cc(F)ccc2O)c1 CC(=O)N[*:1] COc1ccc(c(c1)NC(=O)c1cc(F)ccc1O)[*:1]
Cc1ccc(C)c2sc(N3CCN(CCNC(=O)CN4C(=O)c5ccccc5C4=O)CC3)nc12 Cc1ccc(C)c2sc(nc12)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)NCCN1CCN(CC1)[*:1]
Cc1ccc(C)c2sc(N3CCN(CCNC(=O)CN4C(=O)c5ccccc5C4=O)CC3)nc12 O=C1c2ccccc2C(=O)N1[*:1] Cc1ccc(C)c2sc(nc12)N1CCN(CCNC(=O)C[*:1])CC1
Cc1ncnc2c1CCN(C(=O)NC1CCCCC1)C2 C1CCC(CC1)[*:1] Cc1ncnc2CN(CCc12)C(=O)N[*:1]
Cc1nc(C[C@@H]2CCCN(C(=O)CCc3ccccc3)C2)cc(Nc2ncc(C)s2)n1 c1ccc(cc1)CC[*:1] Cc1nc(cc(n1)Nc1ncc(C)s1)C[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1nc(C[C@@H]2CCCN(C(=O)CCc3ccccc3)C2)cc(Nc2ncc(C)s2)n1 Cc1cnc(s1)[*:1] Cc1nc(cc(n1)N[*:1])C[C@@H]1CCCN(C1)C(=O)CCc1ccccc1
Cc1nc(C[C@@H]2CCCN(C(=O)CCc3ccccc3)C2)cc(Nc2ncc(C)s2)n1 Cc1cnc(N[*:1])s1 Cc1nc(cc(n1)[*:1])C[C@@H]1CCCN(C1)C(=O)CCc1ccccc1
Cc1nc(C[C@@H]2CCCN(C(=O)CCc3ccccc3)C2)cc(Nc2ncc(C)s2)n1 c1ccc(cc1)C[*:1] Cc1nc(cc(n1)Nc1ncc(C)s1)C[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1nc(C[C@@H]2CCCN(C(=O)CCc3ccccc3)C2)cc(Nc2ncc(C)s2)n1 c1ccc(cc1)[*:1] Cc1nc(cc(n1)Nc1ncc(C)s1)C[C@@H]1CCCN(C1)C(=O)CC[*:1]
CC[C@@H](C)CN(C)C(=O)CC1CN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC[C@@H](C)CN(C)C(=O)CC1CN(C1)C(=O)O[*:1]
CC[C@@H](C)CN(C)C(=O)CC1CN(C(=O)OC(C)(C)C)C1 CC[C@@H](C)[*:1] CN(C[*:1])C(=O)CC1CN(C1)C(=O)OC(C)(C)C
CC[C@@H](C)CN(C)C(=O)CC1CN(C(=O)OC(C)(C)C)C1 CC[C@@H](C)C[*:1] CN(C(=O)CC1CN(C1)C(=O)OC(C)(C)C)[*:1]
CCOC(=O)CC(=O)COc1ccccc1I CCOC(=O)[*:1] O=C(COc1ccccc1I)C[*:1]
CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1ccc(Cl)cc1Cl
CCOc1c(Cl)cc(/C=C/C(=O)NC(C)(C)C)cc1OC CC(C)(C)NC(=O)[*:1] CCOc1c(Cl)cc(C=C[*:1])cc1OC
CCOc1c(Cl)cc(/C=C/C(=O)NC(C)(C)C)cc1OC CC(C)(C)[*:1] CCOc1c(Cl)cc(/C=C/C(=O)N[*:1])cc1OC
CCOc1c(Cl)cc(/C=C/C(=O)NC(C)(C)C)cc1OC CCO[*:1] COc1cc(/C=C/C(=O)NC(C)(C)C)cc(Cl)c1[*:1]
CCC[C@@H]1CCC(=O)[C@H](C(C)C)C1 CC(C)[*:1] CCC[C@@H]1CCC(=O)[C@H](C1)[*:1]
CCC[C@@H]1CCC(=O)[C@H](C(C)C)C1 CCC[*:1] CC(C)[C@@H]1C[C@@H](CCC1=O)[*:1]
O=C(CCn1cncn1)N1CCCCc2cc(Br)ccc21 c1ncn(CC[*:1])n1 O=C(N1CCCCc2cc(Br)ccc21)[*:1]
O=C(CCn1cncn1)N1CCCCc2cc(Br)ccc21 c1ncn(n1)[*:1] O=C(CC[*:1])N1CCCCc2cc(Br)ccc21
O=C(CCn1cncn1)N1CCCCc2cc(Br)ccc21 c1ncn(C[*:1])n1 O=C(C[*:1])N1CCCCc2cc(Br)ccc21
CCc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(Cl)nc2)[NH+](C)C)cc1 Clc1ccc(cn1)[*:1] CCc1ccc(cc1)[C@@H](CNC(=O)N(C)C[*:1])[NH+](C)C
CCc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(Cl)nc2)[NH+](C)C)cc1 Clc1ccc(cn1)C[*:1] CCc1ccc(cc1)[C@@H](CNC(=O)N(C)[*:1])[NH+](C)C
CCc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(Cl)nc2)[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] CN(Cc1ccc(Cl)nc1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
C[C@@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)S[*:1]
C[C@@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)Sc1ccccc1 c1ccc(cc1)S[*:1] C[C@@H](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)[*:1]
Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(NC2CCCCCC2)n1 Cc1nn(C)cc1[*:1] FC(F)(F)c1cc(nc(n1)NC1CCCCCC1)[*:1]
Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(NC2CCCCCC2)n1 FC(F)(F)[*:1] Cc1nn(C)cc1-c1cc(nc(n1)NC1CCCCCC1)[*:1]
Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(NC2CCCCCC2)n1 C1CCCC(CC1)[*:1] Cc1nn(C)cc1-c1cc(nc(n1)N[*:1])C(F)(F)F
Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(NC2CCCCCC2)n1 C1CCCC(CC1)N[*:1] Cc1nn(C)cc1-c1cc(nc(n1)[*:1])C(F)(F)F
COCC1CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] COCC1CC[NH+](CC1)Cc1ccc(Cl)c(c1)[*:1]
COCC1CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 COC[*:1] FC(F)(F)c1cc(ccc1Cl)C[NH+]1CCC(CC1)[*:1]
Cc1cc(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)nc(C(C)C)[nH+]1 C1CC1[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CC[C@H]2[C@H](CCC(=O)N2[*:1])C1
Cc1cc(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1
Cc1noc(-c2ccccc2C(=O)NC[C@](C)(O)c2ccc(F)cc2)n1 Cc1noc(n1)[*:1] C[C@](O)(CNC(=O)c1ccccc1[*:1])c1ccc(F)cc1
Cc1noc(-c2ccccc2C(=O)NC[C@](C)(O)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1noc(n1)-c1ccccc1C(=O)NC[C@](C)(O)[*:1]
O=C(CNCc1ccc(OC(F)F)c(Br)c1)NC1CCCCC1 FC(F)O[*:1] O=C(CNCc1ccc(c(Br)c1)[*:1])NC1CCCCC1
O=C(CNCc1ccc(OC(F)F)c(Br)c1)NC1CCCCC1 FC(F)[*:1] O=C(CNCc1ccc(O[*:1])c(Br)c1)NC1CCCCC1
O=C(CNCc1ccc(OC(F)F)c(Br)c1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CNCc1ccc(OC(F)F)c(Br)c1)N[*:1]
CCc1cccc(OCCn2nnc(-c3ccc(C)cc3)n2)c1 Cc1ccc(cc1)[*:1] CCc1cccc(c1)OCCn1nnc(n1)[*:1]
CC1(C)C(=O)N=C(S)N2C(=O)C[C@@H](C(=O)NCCc3ccccc3)N21 c1ccc(cc1)[*:1] CC1(C)C(=O)N=C(S)N2C(=O)C[C@@H](C(=O)NCC[*:1])N21
CC1(C)C(=O)N=C(S)N2C(=O)C[C@@H](C(=O)NCCc3ccccc3)N21 c1ccc(cc1)CC[*:1] CC1(C)C(=O)N=C(S)N2C(=O)C[C@@H](C(=O)N[*:1])N21
CC1(C)C(=O)N=C(S)N2C(=O)C[C@@H](C(=O)NCCc3ccccc3)N21 c1ccc(cc1)C[*:1] CC1(C)C(=O)N=C(S)N2C(=O)C[C@@H](C(=O)NC[*:1])N21
CCNC(=O)Nc1ccc(OCC(=O)N(CC)CC)nc1 CCN(CC)C(=O)[*:1] CCNC(=O)Nc1ccc(nc1)OC[*:1]
CCNC(=O)Nc1ccc(OCC(=O)N(CC)CC)nc1 CCNC(=O)N[*:1] CCN(CC)C(=O)COc1ccc(cn1)[*:1]
CCOc1ccc(-n2ccn3c(S[C@H](C)C(=O)c4ccc(C)c(C)c4)nnc3c2=O)cc1 CCO[*:1] Cc1ccc(cc1C)C(=O)[C@@H](C)Sc1nnc2c(=O)n(ccn12)-c1ccc(cc1)[*:1]
CCOc1ccc(-n2ccn3c(S[C@H](C)C(=O)c4ccc(C)c(C)c4)nnc3c2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)[C@@H](C)Sc1nnc2c(=O)n(ccn12)[*:1]
CCOc1ccc(-n2ccn3c(S[C@H](C)C(=O)c4ccc(C)c(C)c4)nnc3c2=O)cc1 Cc1ccc(cc1C)C(=O)[*:1] CCOc1ccc(cc1)-n1ccn2c(nnc2c1=O)S[C@H](C)[*:1]
CCOc1ccc(-n2ccn3c(S[C@H](C)C(=O)c4ccc(C)c(C)c4)nnc3c2=O)cc1 Cc1ccc(cc1C)[*:1] CCOc1ccc(cc1)-n1ccn2c(nnc2c1=O)S[C@H](C)C(=O)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@@H]1C(=O)N[C@H](C)c1ccccc1 C[C@@H](NC(=O)[*:1])c1ccccc1 CC(=O)N1c2ccc(cc2C[C@H]1[*:1])S(=O)(=O)N1CCCCCC1
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@@H]1C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C(=O)N[C@H](C)[*:1])S(=O)(=O)N1CCCCCC1
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@@H]1C(=O)N[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C(=O)N[*:1])S(=O)(=O)N1CCCCCC1
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@@H]1C(=O)N[C@H](C)c1ccccc1 O=S(=O)(N1CCCCCC1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C(=O)N[C@H](C)c1ccccc1)[*:1]
CS[C@@H]1CC[C@@H](NC(=O)c2cc(C(C)(C)C)on2)C1 CC(C)(C)[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)c1cc(on1)[*:1]
COc1c(Cl)cc(C(=O)NC(C)C)cc1Cl CC(C)[*:1] COc1c(Cl)cc(cc1Cl)C(=O)N[*:1]
Cc1cccn2c(C[NH+]3CCc4sccc4C3)c(C(=O)N(C)CCc3ccccc3)nc12 c1ccc(cc1)CC[*:1] Cc1cccn2c(C[NH+]3CCc4sccc4C3)c(nc12)C(=O)N(C)[*:1]
Cc1cccn2c(C[NH+]3CCc4sccc4C3)c(C(=O)N(C)CCc3ccccc3)nc12 c1ccc(cc1)C[*:1] Cc1cccn2c(C[NH+]3CCc4sccc4C3)c(nc12)C(=O)N(C)C[*:1]
Cc1cccn2c(C[NH+]3CCc4sccc4C3)c(C(=O)N(C)CCc3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1cccn2c(C[NH+]3CCc4sccc4C3)c(nc12)C(=O)N(C)CC[*:1]
Cc1c(CCC(=O)NC2(C(=O)[O-])CCCCC2)c(=O)oc2c(C)c(O)ccc12 O=C([O-])[*:1] Cc1c(CCC(=O)NC2(CCCCC2)[*:1])c(=O)oc2c(C)c(O)ccc12
Cc1c(CCC(=O)NC2(C(=O)[O-])CCCCC2)c(=O)oc2c(C)c(O)ccc12 O=C([O-])C1(CCCCC1)[*:1] Cc1c(CCC(=O)N[*:1])c(=O)oc2c(C)c(O)ccc12
CC(=O)NCc1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1 CC(=O)NC[*:1] Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1 CC(=O)N[*:1] Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1 Cn1cccc1[*:1] CC(=O)NCc1ccc(cc1)C(=O)N1CCCCC[C@H]1[*:1]
C=C1C=C(C)[C@@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C(=O)N1 O=[N+]([O-])[*:1] C=C1C=C(C)[C@@H](CNC(=O)c2ccc(SC)c(c2)[*:1])C(=O)N1
Cn1cc[nH+]c1-c1ccc(N2CCC[NH+](C3Cc4ccccc4C3)CC2)nn1 c1ccc2CC(Cc2c1)[*:1] Cn1cc[nH+]c1-c1ccc(nn1)N1CCC[NH+](CC1)[*:1]
COC(=O)c1cc2n(n1)CCCN(C(=O)[C@H]1CCOC(C)(C)C1)C2 COC(=O)[*:1] CC1(C)C[C@H](CCO1)C(=O)N1CCCn2nc(cc2C1)[*:1]
O=C(NCC[NH+]1CCc2ccccc2C1)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 FC(F)(F)[*:1] O=C(NCC[NH+]1CCc2ccccc2C1)c1nc2nc(cc(n2n1)[*:1])-c1ccco1
O=C(NCC[NH+]1CCc2ccccc2C1)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 c1coc(c1)[*:1] O=C(NCC[NH+]1CCc2ccccc2C1)c1nc2nc(cc(n2n1)C(F)(F)F)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)C[*:1] CC(C)[C@@H]([NH2+]Cc1ccccc1[*:1])c1ccccc1
CC(C)[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)[*:1] CC(C)[C@@H]([NH2+]Cc1ccccc1C[*:1])c1ccccc1
CC(C)[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccccc1 CC(C)[*:1] CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](c1ccccc1)[*:1]
COCc1ccccc1[N-]S(=O)(=O)CCc1ccccc1 c1ccc(cc1)[*:1] COCc1ccccc1[N-]S(=O)(=O)CC[*:1]
COCc1ccccc1[N-]S(=O)(=O)CCc1ccccc1 COC[*:1] O=S(=O)(CCc1ccccc1)[N-]c1ccccc1[*:1]
COCc1ccccc1[N-]S(=O)(=O)CCc1ccccc1 c1ccc(cc1)C[*:1] COCc1ccccc1[N-]S(=O)(=O)C[*:1]
C=CCCC[C@H](C)[NH+]1CCN(C(=O)N(C)C)CC1 C=CCCC[*:1] C[C@H]([NH+]1CCN(CC1)C(=O)N(C)C)[*:1]
C=CCCC[C@H](C)[NH+]1CCN(C(=O)N(C)C)CC1 C=CCC[*:1] C[C@@H](C[*:1])[NH+]1CCN(CC1)C(=O)N(C)C
C=CCCC[C@H](C)[NH+]1CCN(C(=O)N(C)C)CC1 C=CC[*:1] C[C@@H](CC[*:1])[NH+]1CCN(CC1)C(=O)N(C)C
Cc1ccccc1C[S@](=O)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccccc1C[S@](=O)Cc1coc(n1)[*:1]
Cc1ccccc1C[S@](=O)Cc1coc(-c2ccccc2)n1 Cc1ccccc1[*:1] O=[S@](Cc1coc(n1)-c1ccccc1)C[*:1]
Cc1cccnc1CNC(=O)C[C@H](O)c1ccc(Cl)cc1 Cc1cccnc1[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)NC[*:1]
Cc1cccnc1CNC(=O)C[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1cccnc1CNC(=O)C[C@H](O)[*:1]
O=C([C@H]1CSCN1C(=O)Cc1ccc[nH]1)N1CCSCC1 c1c[nH]c(c1)[*:1] O=C([C@H]1CSCN1C(=O)C[*:1])N1CCSCC1
O=C([C@H]1CSCN1C(=O)Cc1ccc[nH]1)N1CCSCC1 c1c[nH]c(c1)C[*:1] O=C([C@H]1CSCN1C(=O)[*:1])N1CCSCC1
CC(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccnc1Cl
COCC(=O)Nn1ccc2nc3ccn(Cc4ccc5c(c4)OCCCO5)c(=O)c3cc2c1=O COC[*:1] O=C(Nn1ccc2nc3ccn(Cc4ccc5OCCCOc5c4)c(=O)c3cc2c1=O)[*:1]
COCC(=O)Nn1ccc2nc3ccn(Cc4ccc5c(c4)OCCCO5)c(=O)c3cc2c1=O c1cc2OCCCOc2cc1[*:1] COCC(=O)Nn1ccc2nc3ccn(C[*:1])c(=O)c3cc2c1=O
Cc1nn(CC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] CC(C)(NC(=O)C[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1nn(CC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c1Cl O=[N+]([O-])[*:1] Cc1nn(CC(=O)NC(C)(C)c2ccc(cc2)[*:1])c(C)c1Cl
C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccccc2C#N)C1 N#Cc1ccccc1[*:1] C[C@@]1(CCCN(C1)C(=O)[*:1])Cc1ccc2OCOc2c1
C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccccc2C#N)C1 c1cc2OCOc2cc1[*:1] C[C@@]1(CCCN(C1)C(=O)c1ccccc1C#N)C[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Cc1cc(C)on1 COC(=O)[*:1] Cc1cc(CC(=O)N[C@@H]2CCCCC[C@H]2[*:1])no1
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Cc1cc(C)on1 Cc1cc(C[*:1])no1 COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Cc1cc(C)on1 Cc1cc(no1)[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)C[*:1]
CC(C)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 CC(C)[*:1] O=[N+]([O-])c1cccnc1N1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 CC(C)C[*:1] O=[N+]([O-])c1cccnc1N1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC(C)C[NH+]1CCN(CC1)c1ncccc1[*:1]
Cc1nc(CNC(=O)Nc2cc(Cl)c(C)cc2Cl)c(C)s1 Cc1nc(c(C)s1)[*:1] Cc1cc(Cl)c(cc1Cl)NC(=O)NC[*:1]
Cc1[nH]c2ccc(OC(=O)N3CCOCC3)cc2c1C(=O)OC(C)C CC(C)[*:1] Cc1[nH]c2ccc(cc2c1C(=O)O[*:1])OC(=O)N1CCOCC1
Cc1[nH]c2ccc(OC(=O)N3CCOCC3)cc2c1C(=O)OC(C)C CC(C)OC(=O)[*:1] Cc1[nH]c2ccc(cc2c1[*:1])OC(=O)N1CCOCC1
O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1ccccn1 c1ccc(nc1)[*:1] O=c1c2scc(-c3cccc(F)c3)c2ncn1C[*:1]
O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1ccccn1 c1ccc(C[*:1])nc1 O=c1c2scc(-c3cccc(F)c3)c2ncn1[*:1]
O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1ccccn1 Fc1cccc(c1)[*:1] O=c1c2scc(c2ncn1Cc1ccccn1)[*:1]
O=C(CCSc1ccccc1)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 c1ccc(cc1)SC[*:1] O=C(C[*:1])Nc1ccc(cc1)CC(=O)N1CCC(O)CC1
O=C(CCSc1ccccc1)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 c1ccc(cc1)[*:1] O=C(CCS[*:1])Nc1ccc(cc1)CC(=O)N1CCC(O)CC1
O=C(CCSc1ccccc1)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 O=C(N1CCC(O)CC1)[*:1] O=C(CCSc1ccccc1)Nc1ccc(cc1)C[*:1]
O=C(CCSc1ccccc1)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 c1ccc(cc1)S[*:1] O=C(CC[*:1])Nc1ccc(cc1)CC(=O)N1CCC(O)CC1
O=C(CCSc1ccccc1)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 c1ccc(cc1)SCC[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])N1CCC(O)CC1
Cn1cccc1-c1csc(NC(=O)C2(c3cccc(Br)c3)CC2)n1 Cn1cccc1[*:1] O=C(Nc1nc(cs1)[*:1])C1(CC1)c1cccc(Br)c1
Cn1cccc1-c1csc(NC(=O)C2(c3cccc(Br)c3)CC2)n1 Brc1cccc(c1)[*:1] Cn1cccc1-c1csc(n1)NC(=O)C1(CC1)[*:1]
CCCCNC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 CCCC[*:1] Nc1c(C(=O)N[*:1])c2nc3ccccc3nc2n1-c1ccc(Br)cc1
CCCCNC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 Brc1ccc(cc1)[*:1] CCCCNC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
CCCCNC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 CCC[*:1] Nc1c(C(=O)NC[*:1])c2nc3ccccc3nc2n1-c1ccc(Br)cc1
CCCCNC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 CCCCNC(=O)[*:1] Nc1c(c2nc3ccccc3nc2n1-c1ccc(Br)cc1)[*:1]
O=C(c1cncc(-c2ccsc2)c1)N1CCC2(CC1)OCc1ccccc12 c1cc(cs1)[*:1] O=C(c1cncc(c1)[*:1])N1CCC2(CC1)OCc1ccccc12
NNC(=O)C1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1 NNC(=O)[*:1] FC(F)(F)c1c[nH+]c(c(Cl)c1)N1CCC(CC1)[*:1]
NNC(=O)C1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] NNC(=O)C1CCN(CC1)c1[nH+]cc(cc1Cl)[*:1]
O=S(=O)(CC1CCC1)NCc1cccnc1-n1cncn1 C1CC(C1)[*:1] O=S(=O)(C[*:1])NCc1cccnc1-n1cncn1
O=S(=O)(CC1CCC1)NCc1cccnc1-n1cncn1 C1CC(C1)C[*:1] O=S(=O)(NCc1cccnc1-n1cncn1)[*:1]
O=S(=O)(CC1CCC1)NCc1cccnc1-n1cncn1 c1ncn(n1)[*:1] O=S(=O)(CC1CCC1)NCc1cccnc1[*:1]
C[C@@H](NC(=O)c1cccc2cn[nH]c12)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@@H](NC(=O)c1cccc2cn[nH]c12)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1cccc2cn[nH]c12)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)c1cccc2cn[nH]c12)c1ccc(cc1)O[*:1]
CCOC(=O)C1(C)CCN(C(=O)N[C@H](CC)c2c(C)nn(C)c2C)CC1 Cc1nn(C)c(C)c1[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)N[C@H](CC)[*:1]
CCOC(=O)C1(C)CCN(C(=O)N[C@H](CC)c2c(C)nn(C)c2C)CC1 CCOC(=O)[*:1] CC[C@@H](NC(=O)N1CCC(C)(CC1)[*:1])c1c(C)nn(C)c1C
C[C@@H]1CCc2c(F)cccc2[C@@H]1NS(=O)(=O)c1cccc(C(N)=O)c1 NC(=O)[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NS(=O)(=O)c1cccc(c1)[*:1]
C=CCNC(=O)[C@H](C)N1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] C=CCNC(=O)[C@H](C)N1CCO[C@H](C1)[*:1]
C=CCNC(=O)[C@H](C)N1CCO[C@H](c2ccccc2F)C1 C=CCNC(=O)[*:1] C[C@H](N1CCO[C@@H](C1)c1ccccc1F)[*:1]
C=CCNC(=O)[C@H](C)N1CCO[C@H](c2ccccc2F)C1 C=CC[*:1] C[C@@H](C(=O)N[*:1])N1CCO[C@@H](C1)c1ccccc1F
O=C(Nc1ccccc1)Nc1nonc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O c1ccc(cc1)[*:1] O=C(Nc1nonc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O)N[*:1]
CC(C)c1ccc(CN2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(C1CC1)N1CCC(CC1)C(=O)N1CCN(CC1)C[*:1]
CC(C)c1ccc(CN2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc1 CC(C)[*:1] O=C(C1CC1)N1CCC(CC1)C(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CC(C)c1ccc(CN2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)[*:1]
Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=O)CC(C)(C)C2 Clc1ccc(c(Cl)c1)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)N[*:1]
Cc1cc(N2CCN(Cc3ccc(F)cc3)C(=O)C2)[nH+]c(N)n1 Fc1ccc(cc1)[*:1] Cc1cc([nH+]c(N)n1)N1CCN(C[*:1])C(=O)C1
C[C@@](NC(=O)c1ccc(C[NH3+])o1)(C(=O)[O-])C1CC1 O=C([O-])[*:1] C[C@@](NC(=O)c1ccc(C[NH3+])o1)(C1CC1)[*:1]
C[C@@](NC(=O)c1ccc(C[NH3+])o1)(C(=O)[O-])C1CC1 C1CC1[*:1] C[C@@](NC(=O)c1ccc(C[NH3+])o1)(C(=O)[O-])[*:1]
Cc1ccc(F)cc1NC(=O)NCc1cccs1 c1csc(c1)[*:1] Cc1ccc(F)cc1NC(=O)NC[*:1]
Cc1ccc(F)cc1NC(=O)NCc1cccs1 c1csc(c1)C[*:1] Cc1ccc(F)cc1NC(=O)N[*:1]
COc1ccc(N)c(N2CC(C(C)C)C2)c1 CC(C)[*:1] COc1ccc(N)c(c1)N1CC(C1)[*:1]
CCCOC(=O)c1cn(C)nc1-c1cccs1 CCC[*:1] Cn1cc(C(=O)O[*:1])c(n1)-c1cccs1
CCCOC(=O)c1cn(C)nc1-c1cccs1 c1csc(c1)[*:1] CCCOC(=O)c1cn(C)nc1[*:1]
N#Cc1ccc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CSCc1coc(n1)-c1ccccc1)N[*:1]
N#Cc1ccc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)CSCc1coc(n1)[*:1]
CCN(CC(=O)OC(C)C)Cc1ccccn1 CC(C)[*:1] CCN(CC(=O)O[*:1])Cc1ccccn1
CCOC(=O)c1ccsc1NC(=O)C[C@@H]1SC(N2CCOCC2)=NC1=O CCOC(=O)[*:1] O=C(C[C@@H]1SC(=NC1=O)N1CCOCC1)Nc1sccc1[*:1]
O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCC1 O=C(N1CCCC1)[*:1] FC(F)(F)c1nn(-c2ccc(cc2)[*:1])c2CCCCc12
O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)-n1nc(c2CCCCc21)[*:1])N1CCCC1
CC(C)(C)C(=O)/C=C\c1ccncc1 CC(C)(C)[*:1] O=C(/C=C\c1ccncc1)[*:1]
[NH3+][C@H]1CCCCC[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 O=[N+]([O-])[*:1] [NH3+][C@H]1CCCCC[C@H]1Nc1nc2cc(ccc2[nH]1)[*:1]
O=C(/C=C/c1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 FC(F)(F)[*:1] O=C(/C=C/c1ccco1)Nc1cc(ccc1N1CCOCC1)[*:1]
O=C(/C=C/c1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 C(=C[*:1])c1ccco1 O=C(Nc1cc(ccc1N1CCOCC1)C(F)(F)F)[*:1]
O=C(/C=C/c1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(/C=C/c1ccco1)Nc1cc(ccc1[*:1])C(F)(F)F
O=C(/C=C/c1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 c1coc(c1)[*:1] O=C(C=C[*:1])Nc1cc(ccc1N1CCOCC1)C(F)(F)F
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)[C@@H]1C O=C1NCCN1[*:1] C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(cc2)[*:1])[C@@H]1C
COc1ccc2[nH]cc([C@@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)c2c1 CS(=O)(=O)N[*:1] COc1ccc2[nH]cc(c2c1)[C@@H](C)[NH2+]CC(C)(C)[*:1]
Cc1cccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1C Cc1cccc(c1C)[*:1] O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)N[*:1]
Cc1cccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1C c1ccc2c(c[nH]c2c1)[*:1] Cc1cccc(NC(=O)CSc2nnc(o2)[*:1])c1C
CCCSCC(=O)Nc1cc(F)ccc1N CCCSC[*:1] Nc1ccc(F)cc1NC(=O)[*:1]
CCCSCC(=O)Nc1cc(F)ccc1N CCCS[*:1] Nc1ccc(F)cc1NC(=O)C[*:1]
CCCSCC(=O)Nc1cc(F)ccc1N CCC[*:1] Nc1ccc(F)cc1NC(=O)CS[*:1]
O=C(Nc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1)c1ccco1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)C[NH2+][*:1])c1ccco1
O=C(Nc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)C[NH2+]Cc1ccc(F)cc1)[*:1]
O=C(Nc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1)c1ccco1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C[NH2+]C[*:1])c1ccco1
O=C(Nc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1)c1ccco1 O=C(N[*:1])c1ccco1 Fc1ccc(cc1)C[NH2+]Cc1ccc(cc1)[*:1]
COc1cccc(CCC(=O)NCc2coc(-c3ccc(C)cc3)n2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)CC[*:1]
COc1cccc(CCC(=O)NCc2coc(-c3ccc(C)cc3)n2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)CCC(=O)NCc1coc(n1)[*:1]
CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 CC(C)[*:1] CC(C)C(=O)NC(=S)Nc1ccc2oc(nc2c1)-c1ccc(cc1)[*:1]
CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 CC(C)[*:1] CC(C)c1ccc(cc1)-c1nc2cc(ccc2o1)NC(=S)NC(=O)[*:1]
CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 CC(C)C(=O)NC(=S)N[*:1] CC(C)c1ccc(cc1)-c1nc2cc(ccc2o1)[*:1]
CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 CC(C)c1ccc(cc1)[*:1] CC(C)C(=O)NC(=S)Nc1ccc2oc(nc2c1)[*:1]
CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H]3COc4ccccc4O3)ccc21 CC(C)CC[*:1] CC1(C)COc2cc(ccc2N(C1=O)[*:1])NC(=O)[C@@H]1COc2ccccc2O1
CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H]3COc4ccccc4O3)ccc21 CC(C)C[*:1] CC1(C)COc2cc(ccc2N(C[*:1])C1=O)NC(=O)[C@@H]1COc2ccccc2O1
CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H]3COc4ccccc4O3)ccc21 CC(C)[*:1] CC1(C)COc2cc(ccc2N(CC[*:1])C1=O)NC(=O)[C@@H]1COc2ccccc2O1
CCO[C@H](C[NH2+]C)c1ccc(OC)c(OC)c1 CCO[*:1] C[NH2+]C[C@H](c1ccc(OC)c(c1)OC)[*:1]
COC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] COC(=O)c1cccc(c1)NC(=O)C(=O)N(C)C[*:1]
COC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2cccc(Cl)c2)c1 COC(=O)[*:1] CN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2cccc(Cl)c2)c1 Clc1cccc(c1)C[*:1] COC(=O)c1cccc(c1)NC(=O)C(=O)N(C)[*:1]
O=C(c1cccnc1-c1cc(NC2CCCC2)nc2[nH]ccc12)N1CCCCC1 C1CCC(C1)N[*:1] O=C(c1cccnc1-c1cc(nc2[nH]ccc12)[*:1])N1CCCCC1
O=C(c1cccnc1-c1cc(NC2CCCC2)nc2[nH]ccc12)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1cnc(c(c1)[*:1])-c1cc(nc2[nH]ccc12)NC1CCCC1
O=C(c1cccnc1-c1cc(NC2CCCC2)nc2[nH]ccc12)N1CCCCC1 C1CCC(C1)[*:1] O=C(c1cccnc1-c1cc(nc2[nH]ccc12)N[*:1])N1CCCCC1
COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)NC(=O)CCS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)[*:1]
COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)CCC(=O)N[*:1]
CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(OC)cc3)N2C1=O CC(C)[*:1] CC[C@@H]1SC2=NC(C)=C(C(=O)OC[*:1])[C@H](c3ccc(cc3)OC)N2C1=O
CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(OC)cc3)N2C1=O CC(C)COC(=O)[*:1] CC[C@@H]1SC2=NC(C)=C([C@H](c3ccc(cc3)OC)N2C1=O)[*:1]
CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(OC)cc3)N2C1=O COc1ccc(cc1)[*:1] CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](N2C1=O)[*:1]
CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(OC)cc3)N2C1=O CC(C)C[*:1] CC[C@@H]1SC2=NC(C)=C(C(=O)O[*:1])[C@H](c3ccc(cc3)OC)N2C1=O
COc1ccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 NS(=O)(=O)[*:1] COc1ccc2nc([nH]c2c1)SCC(=O)Nc1ccc(cc1)[*:1]
O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CC1CCCC1 O=C([O-])C[*:1] O=C1NCCN(C(=O)CC2CCCC2)[C@H]1[*:1]
O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CC1CCCC1 O=C([O-])[*:1] O=C1NCCN(C(=O)CC2CCCC2)[C@H]1C[*:1]
O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CC1CCCC1 C1CCC(C1)C[*:1] O=C([O-])C[C@H]1C(=O)NCCN1C(=O)[*:1]
O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CC1CCCC1 C1CCC(C1)[*:1] O=C([O-])C[C@H]1C(=O)NCCN1C(=O)C[*:1]
CCn1/c(=N/C(=O)c2cccnc2Cl)[nH]c2cc(Cl)ccc21 Clc1ncccc1[*:1] CCn1/c(=N/C(=O)[*:1])[nH]c2cc(Cl)ccc21
CN(CC[NH+](C)C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 O=C([O-])[*:1] CN(CC[NH+](C)C)C(=O)N1CC(C1)n1cc(nn1)[*:1]
C[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1cccc(C#N)c1 C[C@H]1C[C@H]1[*:1] C[C@H](OC(=O)[*:1])c1cccc(C#N)c1
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 O=[N+]([O-])[*:1] N#C/C(=C\c1ccccc1[*:1])C(=O)N1CCCC1
O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(F)c(c1)C(F)(F)F)c1ccc(=O)n(n1)[*:1]
O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccccc2)n1 FC(F)(F)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1ccc(=O)n(Cc2ccccc2)n1
O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(c1)C(F)(F)F)c1ccc(=O)n(C[*:1])n1
OCc1cccc2c1ccn2CC1CC1 C1CC1[*:1] OCc1cccc2c1ccn2C[*:1]
OCc1cccc2c1ccn2CC1CC1 C1CC1C[*:1] OCc1cccc2c1ccn2[*:1]
N#C/C(C(=O)c1cc2c(s1)CCCCC2)=C(/[O-])Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] N#C/C(C(=O)c1cc2CCCCCc2s1)=C(/[O-])N[*:1]
CC(C)(C)C(=O)Nc1ccn([C@H]2C[C@H](O)[C@@H](COC(=O)C(C)(C)C)O2)c(=O)n1 CC(C)(C)[*:1] CC(C)(C)C(=O)Nc1ccn(c(=O)n1)[C@H]1C[C@H](O)[C@@H](COC(=O)[*:1])O1
CC(C)(C)C(=O)Nc1ccn([C@H]2C[C@H](O)[C@@H](COC(=O)C(C)(C)C)O2)c(=O)n1 CC(C)(C)[*:1] CC(C)(C)C(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(nc1=O)NC(=O)[*:1]
CC(C)(C)C(=O)Nc1ccn([C@H]2C[C@H](O)[C@@H](COC(=O)C(C)(C)C)O2)c(=O)n1 CC(C)(C)C(=O)OC[*:1] CC(C)(C)C(=O)Nc1ccn(c(=O)n1)[C@H]1C[C@H](O)[C@@H](O1)[*:1]
CC(C)(C)C(=O)Nc1ccn([C@H]2C[C@H](O)[C@@H](COC(=O)C(C)(C)C)O2)c(=O)n1 CC(C)(C)C(=O)N[*:1] CC(C)(C)C(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(nc1=O)[*:1]
CC(C)(C)C(=O)Nc1ccn([C@H]2C[C@H](O)[C@@H](COC(=O)C(C)(C)C)O2)c(=O)n1 CC(C)(C)C(=O)O[*:1] CC(C)(C)C(=O)Nc1ccn(c(=O)n1)[C@H]1C[C@H](O)[C@@H](C[*:1])O1
COc1ccc(OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 COc1ccc(cc1)OC[*:1] O=C([C@@H]1COc2ccccc2O1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1
COc1ccc(OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 COc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1
Cc1cc(C)cc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)N1CC[C@H](C1)[*:1]
CC(C)N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O CC(C)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(C1)[*:1]
C=CC[C@H]([NH2+]CCC)c1cncc(Br)c1 CCC[*:1] C=CC[C@H]([NH2+][*:1])c1cncc(Br)c1
C=CC[C@H]([NH2+]CCC)c1cncc(Br)c1 C=CC[*:1] CCC[NH2+][C@H](c1cncc(Br)c1)[*:1]
COc1ccc(-c2n[nH]cc2C(=O)NCC(C)(C)C[C@H](C)O)cc1 COc1ccc(cc1)[*:1] C[C@H](O)CC(C)(C)CNC(=O)c1c[nH]nc1[*:1]
Cc1ccc(OCc2cccc(C(=O)N[C@@H](C)Cn3cncn3)c2)cn1 c1ncn(n1)[*:1] Cc1ccc(cn1)OCc1cccc(c1)C(=O)N[C@@H](C)C[*:1]
Cc1ccc(OCc2cccc(C(=O)N[C@@H](C)Cn3cncn3)c2)cn1 Cc1ccc(cn1)O[*:1] C[C@@H](Cn1cncn1)NC(=O)c1cccc(c1)C[*:1]
Cc1ccc(OCc2cccc(C(=O)N[C@@H](C)Cn3cncn3)c2)cn1 c1ncn(C[*:1])n1 Cc1ccc(cn1)OCc1cccc(c1)C(=O)N[C@@H](C)[*:1]
Cc1ccc(OCc2cccc(C(=O)N[C@@H](C)Cn3cncn3)c2)cn1 Cc1ccc(cn1)[*:1] C[C@@H](Cn1cncn1)NC(=O)c1cccc(c1)CO[*:1]
CC(=O)c1cnc([C@H]2CSCCS2)nc1C CC(=O)[*:1] Cc1nc(ncc1[*:1])[C@H]1CSCCS1
Cc1cccc(NC(=O)C[C@H]([NH2+]C(C)C)C(=O)[O-])c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)C[C@H]([NH2+][*:1])C(=O)[O-]
CCN(CC(=O)NC(C)(C)C)C(=O)Cc1csc(N2CCCC2=O)n1 CC(C)(C)[*:1] CCN(CC(=O)N[*:1])C(=O)Cc1csc(n1)N1CCCC1=O
CCN(CC(=O)NC(C)(C)C)C(=O)Cc1csc(N2CCCC2=O)n1 CC(C)(C)NC(=O)[*:1] CCN(C[*:1])C(=O)Cc1csc(n1)N1CCCC1=O
CCN(CC(=O)NC(C)(C)C)C(=O)Cc1csc(N2CCCC2=O)n1 CC(C)(C)NC(=O)C[*:1] CCN(C(=O)Cc1csc(n1)N1CCCC1=O)[*:1]
CCN(CC(=O)NC(C)(C)C)C(=O)Cc1csc(N2CCCC2=O)n1 O=C1CCCN1[*:1] CCN(CC(=O)NC(C)(C)C)C(=O)Cc1csc(n1)[*:1]
CC[C@@H](NS(=O)(=O)c1cccc(F)c1)c1nc(-c2ccccc2)c[nH]1 Fc1cccc(c1)[*:1] CC[C@@H](NS(=O)(=O)[*:1])c1nc(c[nH]1)-c1ccccc1
CC[C@@H](NS(=O)(=O)c1cccc(F)c1)c1nc(-c2ccccc2)c[nH]1 c1ccc(cc1)[*:1] CC[C@@H](NS(=O)(=O)c1cccc(F)c1)c1nc(c[nH]1)[*:1]
CCOc1ccc(CN2CCN(C(=O)NCCC(=O)N(C)C)CC2)cc1 CN(C)C(=O)C[*:1] CCOc1ccc(cc1)CN1CCN(CC1)C(=O)NC[*:1]
CCOc1ccc(CN2CCN(C(=O)NCCC(=O)N(C)C)CC2)cc1 CN(C)C(=O)[*:1] CCOc1ccc(cc1)CN1CCN(CC1)C(=O)NCC[*:1]
CCOc1ccc(CN2CCN(C(=O)NCCC(=O)N(C)C)CC2)cc1 CCO[*:1] CN(C)C(=O)CCNC(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CCOc1ccc(CN2CCN(C(=O)NCCC(=O)N(C)C)CC2)cc1 CN(C)C(=O)CC[*:1] CCOc1ccc(cc1)CN1CCN(CC1)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)NCCC2=c3ccccc3=[NH+]C2)n(-c2nc(C)c(C)c([O-])n2)n1 Cc1nc(nc([O-])c1C)[*:1] Cc1cc(NC(=O)C(=O)NCCC2C[NH+]=c3ccccc3=2)n(n1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)Nc3cccc(C)c3)C(C)C)cc2C[C@H]1C Cc1cccc(c1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@@H](C(=O)N[*:1])C(C)C
CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)Nc3cccc(C)c3)C(C)C)cc2C[C@H]1C Cc1cccc(c1)NC(=O)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@@H](C(C)C)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)Nc3cccc(C)c3)C(C)C)cc2C[C@H]1C CC(C)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@@H](C(=O)Nc1cccc(C)c1)[*:1]
CCOc1ccc2c(c1)[C@@H]([NH2+]CCN1C(=O)CCC1=O)CCO2 CCO[*:1] O=C1CCC(=O)N1CC[NH2+][C@H]1CCOc2ccc(cc21)[*:1]
CCOc1ccc2c(c1)[C@@H]([NH2+]CCN1C(=O)CCC1=O)CCO2 O=C1CCC(=O)N1[*:1] CCOc1ccc2OCC[C@H]([NH2+]CC[*:1])c2c1
FC(F)(F)Oc1ccccc1NCc1ccccc1N1CCOCC1 FC(F)(F)O[*:1] c1ccc(c(c1)CNc1ccccc1[*:1])N1CCOCC1
FC(F)(F)Oc1ccccc1NCc1ccccc1N1CCOCC1 FC(F)(F)[*:1] c1ccc(c(c1)CNc1ccccc1O[*:1])N1CCOCC1
FC(F)(F)Oc1ccccc1NCc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] FC(F)(F)Oc1ccccc1NCc1ccccc1[*:1]
Cc1ccc(Oc2ccccc2)c(NC(=O)CCn2cncn2)c1 c1ccc(cc1)[*:1] Cc1ccc(O[*:1])c(c1)NC(=O)CCn1cncn1
Cc1ccc(Oc2ccccc2)c(NC(=O)CCn2cncn2)c1 c1ncn(n1)[*:1] Cc1ccc(Oc2ccccc2)c(c1)NC(=O)CC[*:1]
Cc1ccc(Oc2ccccc2)c(NC(=O)CCn2cncn2)c1 c1ncn(CC[*:1])n1 Cc1ccc(Oc2ccccc2)c(c1)NC(=O)[*:1]
Cc1ccc(Oc2ccccc2)c(NC(=O)CCn2cncn2)c1 c1ccc(cc1)O[*:1] Cc1ccc(c(c1)NC(=O)CCn1cncn1)[*:1]
Cc1ccc(Oc2ccccc2)c(NC(=O)CCn2cncn2)c1 c1ncn(C[*:1])n1 Cc1ccc(Oc2ccccc2)c(c1)NC(=O)C[*:1]
C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(c1)NC(=O)[*:1]
Cc1cccc(O[C@H](C)C(=O)OCC(=O)N2CCCC2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)OCC(=O)N1CCCC1
Cc1cccc(O[C@H](C)C(=O)OCC(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)OC[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)CNC(=O)c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)CNC(=O)[*:1]
CCOC1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 CCO[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCC(CC1)[*:1]
COc1cccc(/C=C/C(=O)Nc2cccc(S(C)(=O)=O)c2)c1 CS(=O)(=O)[*:1] COc1cccc(/C=C/C(=O)Nc2cccc(c2)[*:1])c1
CC(C)c1ccc(/C=N/NC(N)=O)cc1 CC(C)[*:1] NC(=O)N/N=C/c1ccc(cc1)[*:1]
COc1cc(CNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(ccc1[*:1])CNC(=O)c1cc2cc(Br)ccc2o1
COc1cc(CNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OC[*:1])CNC(=O)c1cc2cc(Br)ccc2o1
COc1cc(CNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(ccc1O[*:1])CNC(=O)c1cc2cc(Br)ccc2o1
COc1ccccc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 COc1ccccc1[*:1] O=S(=O)(c1ccccc1)N1CCOC12CCN(CC2)S(=O)(=O)[*:1]
COc1ccccc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
COc1ccc(CNC(=O)CN2C(=O)C[C@@](C)(c3ccsc3)C2=O)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)CNC(=O)CN1C(=O)C[C@@](C)(C1=O)[*:1]
COc1ccc(CNC(=O)CN2C(=O)C[C@@](C)(c3ccsc3)C2=O)cc1 COc1ccc(cc1)[*:1] C[C@]1(CC(=O)N(CC(=O)NC[*:1])C1=O)c1ccsc1
CS(=O)(=O)CC1(CC(=O)OCc2ccc3[nH]nnc3c2)CC1 CS(=O)(=O)C[*:1] O=C(CC1(CC1)[*:1])OCc1ccc2[nH]nnc2c1
CS(=O)(=O)CC1(CC(=O)OCc2ccc3[nH]nnc3c2)CC1 CS(=O)(=O)[*:1] O=C(CC1(CC1)C[*:1])OCc1ccc2[nH]nnc2c1
CCOc1ccc(OCC)c(NC(=O)[C@H]2CCCO2)c1 CCO[*:1] CCOc1ccc(c(c1)NC(=O)[C@H]1CCCO1)[*:1]
CCOc1ccc(OCC)c(NC(=O)[C@H]2CCCO2)c1 CCO[*:1] CCOc1ccc(cc1NC(=O)[C@H]1CCCO1)[*:1]
CCOc1ccc(OCC)c(NC(=O)[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CCOc1ccc(OCC)c(c1)NC(=O)[*:1]
Cc1nsnc1COc1ccc(C(=O)N2CCc3ccccc3C2)cc1 Cc1nsnc1CO[*:1] O=C(c1ccc(cc1)[*:1])N1CCc2ccccc2C1
Cc1nsnc1COc1ccc(C(=O)N2CCc3ccccc3C2)cc1 Cc1nsnc1[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCc2ccccc2C1
Cc1nsnc1COc1ccc(C(=O)N2CCc3ccccc3C2)cc1 Cc1nsnc1C[*:1] O=C(c1ccc(cc1)O[*:1])N1CCc2ccccc2C1
Cc1ccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1 FC(F)(F)O[*:1] Cc1ccc(cc1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
Cc1ccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(=O)Nc1nc2ccc(cc2s1)O[*:1]
Cc1ccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc2ccc(cc2s1)OC(F)(F)F)[*:1]
COCc1cc(C(=O)Nc2cccc(CN(C)C(C)=O)c2)ccc1F CC(=O)N(C)C[*:1] COCc1cc(ccc1F)C(=O)Nc1cccc(c1)[*:1]
COCc1cc(C(=O)Nc2cccc(CN(C)C(C)=O)c2)ccc1F CC(=O)N(C)[*:1] COCc1cc(ccc1F)C(=O)Nc1cccc(c1)C[*:1]
COCc1cc(C(=O)Nc2cccc(CN(C)C(C)=O)c2)ccc1F COC[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)c1ccc(F)c(c1)[*:1]
Cc1cc(=O)c(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)c(C)[nH]1 C1CCCC(CC1)[*:1] Cc1cc(=O)c(C(=O)N[C@H]2CC(=O)N(C2)[*:1])c(C)[nH]1
O=C(COc1ccccc1Cl)NCCCN1CCOCC1 Clc1ccccc1[*:1] O=C(CO[*:1])NCCCN1CCOCC1
O=C(COc1ccccc1Cl)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(COc1ccccc1Cl)NCC[*:1]
O=C(COc1ccccc1Cl)NCCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(COc1ccccc1Cl)NCCC[*:1]
C[C@H]1C[C@H](C)C[NH+](C[C@@H](C)NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 Oc1ccc(Cl)cc1[*:1] O=C(N[*:1])c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)c1ccc2OCOc2c1
O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 O=C(Nc1cc(Cl)ccc1O)[*:1] FC(F)(F)[C@H]1C[C@@H](Nc2cc(nn21)[*:1])c1ccc2OCOc2c1
O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 c1cc2OCOc2cc1[*:1] O=C(Nc1cc(Cl)ccc1O)c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 FC(F)(F)[*:1] O=C(Nc1cc(Cl)ccc1O)c1cc2N[C@H](C[C@H](n2n1)[*:1])c1ccc2OCOc2c1
Cc1nn(C)c(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1C FC(F)(F)[*:1] Cc1nn(C)c(NS(=O)(=O)Cc2cccc(c2)[*:1])c1C
CCc1ccc(CC)c(NC(=O)c2cc(OC)c(S(N)(=O)=O)s2)c1 NS(=O)(=O)[*:1] CCc1ccc(CC)c(c1)NC(=O)c1cc(OC)c(s1)[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)CC1 c1ccc2c(c1)ncn2[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)CC1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)-n1cnc2ccccc21)C1CCN(CC1)C(=O)O[*:1]
CC(=O)Nc1cc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)ccc1F CC(=O)N[*:1] C[C@H]1CN(CCCNC(=O)c2ccc(F)c(c2)[*:1])C[C@H](C)O1
COc1ncnc(N2CCC[C@H]2C2CCCC2)c1N C1CCC(C1)[*:1] COc1ncnc(c1N)N1CCC[C@@H]1[*:1]
CC(=O)N[C@H](C)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CC(=O)N[C@H](C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(=O)N[C@H](C)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 CC(=O)N[*:1] C[C@H](C(=O)Nc1cccc(c1)C(=O)Nc1cccc(F)c1)[*:1]
CCC(CC)c1cc[n+](CCN2C(=O)c3ccccc3C2=O)cc1 CCC(CC)[*:1] O=C1c2ccccc2C(=O)N1CC[n+]1ccc(cc1)[*:1]
CC(C)(C)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 CC(C)(C)[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
CC(C)(C)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 CC(C)(C)C[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
CC(C)(C)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 CC(C)(C)CNC(=O)[*:1] O=C1C[C@@H](CN1c1ccc2OCCOc2c1)[*:1]
CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)cc1 CCO[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1
CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)cc1 Cc1nc(n[nH]1)[*:1] CCOc1ccc(cc1)C(=O)N[C@@H](c1ccccc1)[*:1]
CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)N[C@@H](c1n[nH]c(C)n1)[*:1]
CC(C)[C@@H](Sc1cc(F)ccc1N)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](Sc1cc(F)ccc1N)[*:1]
CC(C)[C@@H](Sc1cc(F)ccc1N)C(=O)[O-] CC(C)[*:1] Nc1ccc(F)cc1S[C@@H](C(=O)[O-])[*:1]
CCCCNc1ccccc1OC(C)C CC(C)[*:1] CCCCNc1ccccc1O[*:1]
CCCCNc1ccccc1OC(C)C CCCC[*:1] CC(C)Oc1ccccc1N[*:1]
CCCCNc1ccccc1OC(C)C CCCCN[*:1] CC(C)Oc1ccccc1[*:1]
CCCCNc1ccccc1OC(C)C CCC[*:1] CC(C)Oc1ccccc1NC[*:1]
CCCCNc1ccccc1OC(C)C CC(C)O[*:1] CCCCNc1ccccc1[*:1]
CCCNC(=O)CCn1cc(C#N)c([O-])nc1=O CCCNC(=O)[*:1] N#Cc1cn(CC[*:1])c(=O)nc1[O-]
CCCNC(=O)CCn1cc(C#N)c([O-])nc1=O CCC[*:1] N#Cc1cn(CCC(=O)N[*:1])c(=O)nc1[O-]
Cc1noc(COCC(=O)OCc2cc3ccccc3o2)n1 Cc1noc(n1)[*:1] O=C(COC[*:1])OCc1cc2ccccc2o1
Cc1noc(COCC(=O)OCc2cc3ccccc3o2)n1 Cc1noc(C[*:1])n1 O=C(CO[*:1])OCc1cc2ccccc2o1
C[NH+]1CCN(c2cc(CN[C@H](C(N)=O)c3ccccc3)cc[nH+]2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1cc(cc[nH+]1)CN[C@H](C(N)=O)[*:1]
C[NH+]1CCN(c2cc(CN[C@H](C(N)=O)c3ccccc3)cc[nH+]2)CC1 NC(=O)[*:1] C[NH+]1CCN(CC1)c1cc(cc[nH+]1)CN[C@H](c1ccccc1)[*:1]
CCc1ccc(C(=O)N2CCN([C@@H](C(=O)OC)c3ccccc3)CC2)cc1 COC(=O)[*:1] CCc1ccc(cc1)C(=O)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
CCc1ccc(C(=O)N2CCN([C@@H](C(=O)OC)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)C(=O)N1CCN(CC1)[C@@H](C(=O)OC)[*:1]
CCc1ccc(C(=O)N2CCN([C@@H](C(=O)OC)c3ccccc3)CC2)cc1 CCc1ccc(cc1)[*:1] COC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
CC[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] CC[C@H](NC(=O)C=C[*:1])c1ccc2OCCOc2c1
CCOc1cc(Br)ccc1C(=O)NC1CCCCC1 CCO[*:1] O=C(NC1CCCCC1)c1ccc(Br)cc1[*:1]
CCOc1cc(Br)ccc1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CCOc1cc(Br)ccc1C(=O)N[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1cccs1 C[C@@H]1CCCC[C@H]1[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1cccs1
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(ccc1[*:1])[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OC[*:1])[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(ccc1O[*:1])[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21
Cn1c(SCC(=O)NCc2cccc(Cl)c2)nnc1-c1ccccc1Cl Clc1cccc(c1)[*:1] Cn1c(nnc1-c1ccccc1Cl)SCC(=O)NC[*:1]
Cn1c(SCC(=O)NCc2cccc(Cl)c2)nnc1-c1ccccc1Cl Clc1cccc(c1)C[*:1] Cn1c(nnc1-c1ccccc1Cl)SCC(=O)N[*:1]
Cn1c(SCC(=O)NCc2cccc(Cl)c2)nnc1-c1ccccc1Cl Clc1ccccc1[*:1] Cn1c(nnc1[*:1])SCC(=O)NCc1cccc(Cl)c1
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@@H]1C(=O)NCCc1ccco1 c1coc(c1)CC[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C(=O)N[*:1])S(=O)(=O)N1CCCCCC1
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@@H]1C(=O)NCCc1ccco1 c1coc(c1)C[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C(=O)NC[*:1])S(=O)(=O)N1CCCCCC1
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@@H]1C(=O)NCCc1ccco1 c1coc(c1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C(=O)NCC[*:1])S(=O)(=O)N1CCCCCC1
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@@H]1C(=O)NCCc1ccco1 O=S(=O)(N1CCCCCC1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C(=O)NCCc1ccco1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@@H]1C(=O)NCCc1ccco1 O=C(NCCc1ccco1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1[*:1])S(=O)(=O)N1CCCCCC1
Cc1nc(-c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)CN1CCCC1=O
Cc1nc(-c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)cs1 O=C1CCCN1[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)c1ccc(cc1)C[*:1]
Cc1nc(-c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)cs1 O=C1CCCN1C[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CO/N=C(/c1ccccc1)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1 FC(F)(F)[*:1] CO/N=C(/c1ccccc1)c1cc(no1)-c1ncc(cc1Cl)[*:1]
CO/N=C(/c1ccccc1)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1 c1ccc(cc1)[*:1] CO/N=C(\c1cc(no1)-c1ncc(cc1Cl)C(F)(F)F)[*:1]
COc1cccc([C@H](CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)C1CCN(CC1)C(=O)c1ccc(Br)cc1)[*:1]
COc1cccc([C@H](CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)[NH+](C)C)c1 Brc1ccc(cc1)[*:1] COc1cccc(c1)[C@H](CNC(=O)C1CCN(CC1)C(=O)[*:1])[NH+](C)C
Cc1nn(CN(C)Cc2nccs2)c(=S)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(CN(C)Cc2nccs2)c(=S)n1C[*:1]
Cc1nn(CN(C)Cc2nccs2)c(=S)n1Cc1ccccc1 c1csc(n1)[*:1] Cc1nn(CN(C)C[*:1])c(=S)n1Cc1ccccc1
Cc1nn(CN(C)Cc2nccs2)c(=S)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(CN(C)Cc2nccs2)c(=S)n1[*:1]
Cc1nn(CN(C)Cc2nccs2)c(=S)n1Cc1ccccc1 c1csc(C[*:1])n1 Cc1nn(CN(C)[*:1])c(=S)n1Cc1ccccc1
CCC[C@H](C)[C@H](O)C(CC)CC CCC[*:1] CCC(CC)[C@@H](O)[C@@H](C)[*:1]
Cc1cc(C(=O)CN(C)CCOc2ccccc2)c(C)[nH]1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CN(C)CCO[*:1])c(C)[nH]1
Cc1cc(C(=O)CN(C)CCOc2ccccc2)c(C)[nH]1 Cc1cc(c(C)[nH]1)[*:1] CN(CCOc1ccccc1)CC(=O)[*:1]
Cc1cc(C(=O)CN(C)CCOc2ccccc2)c(C)[nH]1 c1ccc(cc1)O[*:1] Cc1cc(C(=O)CN(C)CC[*:1])c(C)[nH]1
COc1cc([C@@H](C)NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OC1CCCC1 c1cc2OCCOc2cc1[*:1] COc1cc(ccc1OC1CCCC1)[C@@H](C)NC(=O)C[*:1]
COc1cc([C@@H](C)NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OC1CCCC1 C1CCC(C1)O[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)Cc1ccc2OCCOc2c1
COc1cc([C@@H](C)NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OC1CCCC1 C1CCC(C1)[*:1] COc1cc(ccc1O[*:1])[C@@H](C)NC(=O)Cc1ccc2OCCOc2c1
CC[NH+](CC)C1([C@H](O)c2ccco2)CCCC1 c1coc(c1)[*:1] CC[NH+](CC)C1(CCCC1)[C@H](O)[*:1]
CCN1C(=O)[C@@](C)(C(=O)N2CCN(c3ccc(F)cc3)CC2)Oc2ccccc21 Fc1ccc(cc1)[*:1] CCN1C(=O)[C@](C)(Oc2ccccc21)C(=O)N1CCN(CC1)[*:1]
O=C(CCC1CC[NH+](C2CSCCSC2)CC1)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(CCC1CC[NH+](CC1)C1CSCCSC1)N[*:1]
CCN(CC)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)n(Cc2cccc(F)c2)c1=O CCN(CC)C(=O)[*:1] COc1ccc(cc1)-n1nc(c(=O)n(Cc2cccc(F)c2)c1=O)[*:1]
CCN(CC)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)n(Cc2cccc(F)c2)c1=O Fc1cccc(c1)[*:1] CCN(CC)C(=O)c1nn(-c2ccc(cc2)OC)c(=O)n(C[*:1])c1=O
CCN(CC)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)n(Cc2cccc(F)c2)c1=O Fc1cccc(c1)C[*:1] CCN(CC)C(=O)c1nn(-c2ccc(cc2)OC)c(=O)n(c1=O)[*:1]
CCN(CC)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)n(Cc2cccc(F)c2)c1=O COc1ccc(cc1)[*:1] CCN(CC)C(=O)c1nn(c(=O)n(Cc2cccc(F)c2)c1=O)[*:1]
Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 Cc1c(Cl)cccc1[*:1] C[C@H](C(=O)N[*:1])N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)c(O)c1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2[*:1])c(O)c1
COc1ccc(-c2nnc([C@H](C)Sc3n[nH]c(=O)n3Cc3ccccc3)o2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1nnc(o1)[C@H](C)Sc1n[nH]c(=O)n1[*:1]
COc1ccc(-c2nnc([C@H](C)Sc3n[nH]c(=O)n3Cc3ccccc3)o2)cc1 COc1ccc(cc1)[*:1] C[C@H](Sc1n[nH]c(=O)n1Cc1ccccc1)c1nnc(o1)[*:1]
COc1ccc(-c2nnc([C@H](C)Sc3n[nH]c(=O)n3Cc3ccccc3)o2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nnc(o1)[C@H](C)Sc1n[nH]c(=O)n1C[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])N1CCC[C@@H]1c1cccc(Cl)c1
Cc1noc(C)c1CCCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 Cc1noc(C)c1C[*:1] O=C(NCC[*:1])N1CCC[C@@H]1c1cccc(Cl)c1
Cc1noc(C)c1CCCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1noc(C)c1CCCNC(=O)N1CCC[C@H]1[*:1]
CCCc1nc(CSCc2coc(-c3cccc(F)c3)n2)no1 Fc1cccc(c1)[*:1] CCCc1nc(CSCc2coc(n2)[*:1])no1
CCCc1nc(CSCc2coc(-c3cccc(F)c3)n2)no1 CCC[*:1] Fc1cccc(c1)-c1nc(co1)CSCc1noc(n1)[*:1]
Cc1cc2nn(CC(=O)Nc3cc(F)ccc3F)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)c1ccc(cc1)[*:1] Cc1cc2nn(CC(=O)Nc3cc(F)ccc3F)c(=O)n2c(n1)[*:1]
Cc1cc2nn(CC(=O)Nc3cc(F)ccc3F)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] Cc1cc2nn(CC(=O)Nc3cc(F)ccc3F)c(=O)n2c(n1)-c1ccc(cc1)[*:1]
Cc1cc2nn(CC(=O)Nc3cc(F)ccc3F)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 Fc1ccc(F)c(c1)[*:1] Cc1cc2nn(CC(=O)N[*:1])c(=O)n2c(n1)-c1ccc(cc1)C(F)(F)F
Cc1cc2nn(CC(=O)Nc3cc(F)ccc3F)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 O=C(Nc1cc(F)ccc1F)[*:1] Cc1cc2nn(C[*:1])c(=O)n2c(n1)-c1ccc(cc1)C(F)(F)F
C[C@H]1C[NH+](C[C@H](O)[C@H](N)Cc2ccccc2)C[C@@H]1C c1ccc(cc1)[*:1] C[C@H]1C[NH+](C[C@H](O)[C@H](N)C[*:1])C[C@@H]1C
COCCC[NH2+]Cc1c([O-])on[n+]1C COCC[*:1] C[n+]1noc([O-])c1C[NH2+]C[*:1]
COCCC[NH2+]Cc1c([O-])on[n+]1C COC[*:1] C[n+]1noc([O-])c1C[NH2+]CC[*:1]
COC(C)(C)CNC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] COC(C)(C)CNC(=O)N1CCC(CC1)C(=O)N[*:1]
COC(C)(C)CNC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 COC(C)(C)[*:1] O=C(Nc1ccc(Cl)cn1)C1CCN(CC1)C(=O)NC[*:1]
COC(C)(C)CNC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 COC(C)(C)C[*:1] O=C(Nc1ccc(Cl)cn1)C1CCN(CC1)C(=O)N[*:1]
COc1ccc(C(=O)N2CCC[C@H]2CC(C)=O)cc1O CC(=O)C[*:1] COc1ccc(cc1O)C(=O)N1CCC[C@@H]1[*:1]
COc1ccc(C(=O)N2CCC[C@H]2CC(C)=O)cc1O CC(=O)[*:1] COc1ccc(cc1O)C(=O)N1CCC[C@H]1C[*:1]
Fc1ccc(OCc2nnc(SC/C=C/Cl)o2)cc1 ClC=C[*:1] Fc1ccc(cc1)OCc1nnc(o1)SC[*:1]
Fc1ccc(OCc2nnc(SC/C=C/Cl)o2)cc1 Cl/C=C/C[*:1] Fc1ccc(cc1)OCc1nnc(o1)S[*:1]
Fc1ccc(OCc2nnc(SC/C=C/Cl)o2)cc1 Cl/C=C/CS[*:1] Fc1ccc(cc1)OCc1nnc(o1)[*:1]
Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(C)c(Cl)c3)S2)c(C)c1 Cc1ccc(cc1Cl)[*:1] Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=N[*:1])S2)c(C)c1
Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(C)c(Cl)c3)S2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(cc1Cl)/N=C1/S[C@H](CC(=O)N1C)C(=O)N[*:1]
COC(=O)c1c(S(=O)(=O)NC2CC2)sc2c1CCN(Cc1ccc3ccccc3c1)C2 C1CC1[*:1] COC(=O)c1c(sc2CN(CCc21)Cc1ccc2ccccc2c1)S(=O)(=O)N[*:1]
COC(=O)c1c(S(=O)(=O)NC2CC2)sc2c1CCN(Cc1ccc3ccccc3c1)C2 COC(=O)[*:1] O=S(=O)(NC1CC1)c1sc2CN(CCc2c1[*:1])Cc1ccc2ccccc2c1
COC(=O)c1c(S(=O)(=O)NC2CC2)sc2c1CCN(Cc1ccc3ccccc3c1)C2 c1ccc2cc(ccc2c1)[*:1] COC(=O)c1c(sc2CN(CCc21)C[*:1])S(=O)(=O)NC1CC1
COC(=O)c1c(S(=O)(=O)NC2CC2)sc2c1CCN(Cc1ccc3ccccc3c1)C2 O=S(=O)(NC1CC1)[*:1] COC(=O)c1c(sc2CN(CCc21)Cc1ccc2ccccc2c1)[*:1]
CCOC(=O)c1ccc(N2C(=S)NC(C)(C)C=C2C)cc1 CCOC(=O)[*:1] CC1=CC(C)(C)NC(=S)N1c1ccc(cc1)[*:1]
CC(C)[NH2+]CCCOC(=O)Nc1cccc(C#N)c1 CC(C)[*:1] N#Cc1cccc(c1)NC(=O)OCCC[NH2+][*:1]
COc1ccc2[nH]cc(CCN3C(=O)[C@@H]4N=N[C@H](C)[C@@H]4[C@@H]3c3ccccc3)c2c1 c1ccc(cc1)[*:1] COc1ccc2[nH]cc(CCN3C(=O)[C@@H]4N=N[C@H](C)[C@@H]4[C@H]3[*:1])c2c1
CC(C)OC(=O)[C@@H](C)CNC(=O)/C(C#N)=C\c1ccco1 CC(C)OC(=O)[*:1] C[C@@H](CNC(=O)/C(C#N)=C\c1ccco1)[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)/C(C#N)=C\c1ccco1 CC(C)[*:1] C[C@@H](CNC(=O)/C(C#N)=C\c1ccco1)C(=O)O[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)/C(C#N)=C\c1ccco1 c1coc(c1)[*:1] CC(C)OC(=O)[C@@H](C)CNC(=O)C(C#N)=C[*:1]
COc1ccc(C2(NC(=O)c3cnn(C(C)C)c3)CCCCC2)cc1 COc1ccc(cc1)[*:1] CC(C)n1cc(cn1)C(=O)NC1(CCCCC1)[*:1]
COc1ccc(C2(NC(=O)c3cnn(C(C)C)c3)CCCCC2)cc1 CC(C)n1cc(cn1)[*:1] COc1ccc(cc1)C1(CCCCC1)NC(=O)[*:1]
COc1ccc(C2(NC(=O)c3cnn(C(C)C)c3)CCCCC2)cc1 CC(C)[*:1] COc1ccc(cc1)C1(CCCCC1)NC(=O)c1cnn(c1)[*:1]
COC[C@H](C)N[C@H](C(N)=O)c1ccc(Br)cc1F NC(=O)[*:1] COC[C@H](C)N[C@H](c1ccc(Br)cc1F)[*:1]
COC[C@H](C)N[C@H](C(N)=O)c1ccc(Br)cc1F COC[*:1] C[C@H](N[C@H](C(N)=O)c1ccc(Br)cc1F)[*:1]
COC[C@H](C)N[C@H](C(N)=O)c1ccc(Br)cc1F COC[C@H](C)[*:1] NC(=O)[C@@H](N[*:1])c1ccc(Br)cc1F
COC[C@H](C)N[C@H](C(N)=O)c1ccc(Br)cc1F COC[C@H](C)N[*:1] NC(=O)[C@H](c1ccc(Br)cc1F)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)N(C)Cc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] COc1ccc(cc1NC(=O)N(C)C[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)N(C)Cc1cccc(C#N)c1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)N(C)Cc1cccc(C#N)c1)[*:1]
COCc1ccccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 O=[N+]([O-])[*:1] COCc1ccccc1NCc1nc(no1)-c1ccc(cc1)[*:1]
COCc1ccccc1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 COC[*:1] O=[N+]([O-])c1ccc(cc1)-c1noc(CNc2ccccc2[*:1])n1
Cc1ccc(C)c(OCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 c1csc(c1)[*:1] Cc1ccc(C)c(c1)OCC(=O)NC[C@@H]([NH+](C)C)[*:1]
CCN(CC)C(=O)CN1CC[NH+](C2CCC(C)(C)CC2)CC1 CCN(CC)C(=O)[*:1] CC1(C)CCC(CC1)[NH+]1CCN(CC1)C[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1 Fc1ccc(c(F)c1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1ccc(Cl)cc1
O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1
O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)Nc1ccc(F)cc1F)[*:1])c1ccc(Cl)cc1
O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1F)[C@H](Cc1ccccc1)NC(=O)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)[*:1] CC[C@H](Cc1ccc(C)cc1)NC(=O)c1cccc(c1)O[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)c1cccc(Oc2cnccn2)c1 Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)c1cccc(c1)Oc1cnccn1
CC[C@H](Cc1ccc(C)cc1)NC(=O)c1cccc(Oc2cnccn2)c1 Cc1ccc(cc1)C[*:1] CC[C@H](NC(=O)c1cccc(c1)Oc1cnccn1)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)O[*:1] CC[C@H](Cc1ccc(C)cc1)NC(=O)c1cccc(c1)[*:1]
CCc1nc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)cs1 CCc1nc(cs1)[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[*:1]
CC[C@@H](C)N/C([O-])=C/n1ccc2sccc2c1=O CC[C@@H](C)[*:1] O=c1c2ccsc2ccn1/C=C(\[O-])N[*:1]
CC[C@@H](C)N/C([O-])=C/n1ccc2sccc2c1=O CC[C@@H](C)N[*:1] O=c1c2ccsc2ccn1/C=C(\[O-])[*:1]
Cc1c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)oc2ccc(Br)cc12 O=C(NC1CC1)[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)N1CCN(CC1)C[*:1]
Cc1c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)oc2ccc(Br)cc12 O=C(C[*:1])NC1CC1 Cc1c(oc2ccc(Br)cc12)C(=O)N1CCN(CC1)[*:1]
Cc1c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)oc2ccc(Br)cc12 C1CC1[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)N1CCN(CC1)CC(=O)N[*:1]
COc1ccc(-c2nc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)cs2)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)c2c(ncn2Cc2csc(n2)[*:1])n(C)c1=O
COC(=O)[C@@H](NC(=O)CO[C@@H]1CCCC[C@H]1C)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)[C@@H](NC(=O)CO[C@@H]1CCCC[C@H]1C)[*:1]
COC(=O)[C@@H](NC(=O)CO[C@@H]1CCCC[C@H]1C)c1ccc(F)cc1F COC(=O)[*:1] C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](c1ccc(F)cc1F)[*:1]
CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)N3CCOCC3)c12 O=C(N1CCOCC1)[*:1] CCc1cccc2c(cn(C[*:1])c12)C(=O)C(F)(F)F
CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)N3CCOCC3)c12 O=C(C(F)(F)F)[*:1] CCc1cccc2c(cn(CC(=O)N3CCOCC3)c12)[*:1]
CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)N3CCOCC3)c12 FC(F)(F)[*:1] CCc1cccc2c(cn(CC(=O)N3CCOCC3)c12)C(=O)[*:1]
CCOc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 CCO[*:1] C[C@H](N[C@H](C)c1cccc(c1)[*:1])C(=O)Nc1ccc2OCOc2c1
CSc1nnc(CN(C)[C@H]2CCSC2)s1 C1C[C@@H](CS1)[*:1] CSc1nnc(CN(C)[*:1])s1
O=C(/C=C/c1cccs1)NCc1nc2ccccc2[nH]1 c1csc(c1)[*:1] O=C(C=C[*:1])NCc1nc2ccccc2[nH]1
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2nccs2)cc1OC c1csc(n1)[*:1] COc1cc(Br)c(/C=C(\C#N)C(=O)N[*:1])cc1OC
COc1ccc(NC(=O)[C@@H](C)SC(C)(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)[C@@H](C)SC(C)(C)C)c(c1)[*:1]
COc1ccc(NC(=O)[C@@H](C)SC(C)(C)C)c([N+](=O)[O-])c1 CC(C)(C)[*:1] COc1ccc(NC(=O)[C@@H](C)S[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)[C@@H](C)SC(C)(C)C)c([N+](=O)[O-])c1 CC(C)(C)S[*:1] COc1ccc(NC(=O)[C@@H](C)[*:1])c(c1)[N+](=O)[O-]
CC(C)c1noc([C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1 O=C1CCCN1CC[*:1] CC(C)c1noc(n1)[C@@H]1CCC(=O)N(C1)C[*:1]
CC(C)c1noc([C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1 O=C1CCCN1C[*:1] CC(C)c1noc(n1)[C@@H]1CCC(=O)N(CC[*:1])C1
CC(C)c1noc([C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1 O=C1CCCN1[*:1] CC(C)c1noc(n1)[C@@H]1CCC(=O)N(CCC[*:1])C1
CC(C)c1noc([C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1 CC(C)[*:1] O=C1CCCN1CCCN1C[C@@H](CCC1=O)c1nc(no1)[*:1]
CC(C)c1noc([C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1 CC(C)c1noc(n1)[*:1] O=C1CCCN1CCCN1C[C@@H](CCC1=O)[*:1]
O=S(=O)([N-]c1ccc(Oc2ccc(F)cc2)cn1)c1cccnc1 Fc1ccc(cc1)[*:1] O=S(=O)([N-]c1ccc(cn1)O[*:1])c1cccnc1
O=S(=O)([N-]c1ccc(Oc2ccc(F)cc2)cn1)c1cccnc1 Fc1ccc(cc1)O[*:1] O=S(=O)([N-]c1ccc(cn1)[*:1])c1cccnc1
O=S(=O)([N-]c1ccc(Oc2ccc(F)cc2)cn1)c1cccnc1 c1cncc(c1)[*:1] O=S(=O)([N-]c1ccc(cn1)Oc1ccc(F)cc1)[*:1]
CCCn1nc(C(=O)NNc2ccccc2[N+](=O)[O-])c2ccccc2c1=O O=[N+]([O-])c1ccccc1[*:1] CCCn1nc(C(=O)NN[*:1])c2ccccc2c1=O
CCCn1nc(C(=O)NNc2ccccc2[N+](=O)[O-])c2ccccc2c1=O CCC[*:1] O=C(NNc1ccccc1[N+](=O)[O-])c1nn(c(=O)c2ccccc12)[*:1]
CCCn1nc(C(=O)NNc2ccccc2[N+](=O)[O-])c2ccccc2c1=O O=[N+]([O-])[*:1] CCCn1nc(C(=O)NNc2ccccc2[*:1])c2ccccc2c1=O
C#CCN(Cc1cc(=O)oc2cc(OC)ccc12)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] COc1ccc2c(cc(=O)oc2c1)CN([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)(O)CCSc1nnnn1Cc1cccs1 CC(C)(O)[*:1] c1csc(c1)Cn1nnnc1SCC[*:1]
CC(C)(O)CCSc1nnnn1Cc1cccs1 c1csc(c1)[*:1] CC(C)(O)CCSc1nnnn1C[*:1]
CC(C)(O)CCSc1nnnn1Cc1cccs1 c1csc(c1)C[*:1] CC(C)(O)CCSc1nnnn1[*:1]
CC(C)(O)CCSc1nnnn1Cc1cccs1 CC(C)(O)C[*:1] c1csc(c1)Cn1nnnc1SC[*:1]
CC(C)(O)CCSc1nnnn1Cc1cccs1 CC(C)(O)CC[*:1] c1csc(c1)Cn1nnnc1S[*:1]
Cc1cc(C)n(-c2cc(Nc3ccccc3C)nc(C)n2)n1 Cc1cc(C)n(n1)[*:1] Cc1nc(cc(n1)[*:1])Nc1ccccc1C
Cc1cc(C)n(-c2cc(Nc3ccccc3C)nc(C)n2)n1 Cc1ccccc1[*:1] Cc1cc(C)n(n1)-c1cc(nc(C)n1)N[*:1]
CCC1(CC)CN(c2ccc(C(C)=O)cc2)C1 CC(=O)[*:1] CCC1(CC)CN(C1)c1ccc(cc1)[*:1]
COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 COc1ccccc1[*:1] Cc1cc(ccc1C(C)C)O[C@H](C)C(=O)N[*:1]
COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 CC(C)[*:1] COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(c(C)c1)[*:1]
COc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(/C=N/NC(=O)c2nc(cc(n2)[*:1])-c2ccccc2)c(c1)OC
COc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(NN=C[*:1])c1nc(cc(n1)-c1ccccc1)-c1ccccc1
N#CCCc1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O N#CC[*:1] Oc1c(C[*:1])c(nn1-c1nc2ccccc2s1)-c1ccccc1
N#CCCc1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O N#CCC[*:1] Oc1c(c(nn1-c1nc2ccccc2s1)-c1ccccc1)[*:1]
N#CCCc1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O c1ccc(cc1)[*:1] N#CCCc1c(nn(-c2nc3ccccc3s2)c1O)[*:1]
CCOCC/C([O-])=N/S(=O)(=O)c1ccccc1 CCOCC[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1ccccc1
CCOCC/C([O-])=N/S(=O)(=O)c1ccccc1 CCOC[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1ccccc1
CCOCC/C([O-])=N/S(=O)(=O)c1ccccc1 CCO[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])c1ccccc1
O=C(NCc1ccccc1CN1CCCC1=O)N[C@@H]1CCCC[C@H]1CO O=C1CCCN1C[*:1] O=C(NCc1ccccc1[*:1])N[C@@H]1CCCC[C@H]1CO
O=C(NCc1ccccc1CN1CCCC1=O)N[C@@H]1CCCC[C@H]1CO O=C1CCCN1[*:1] O=C(NCc1ccccc1C[*:1])N[C@@H]1CCCC[C@H]1CO
Cn1ncc(/C(N)=N/O)c1NS(=O)(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1ncc(/C(N)=N/O)c1NS(=O)(=O)[*:1]
Cn1ncc(/C(N)=N/O)c1NS(=O)(=O)c1cccc(F)c1 N/C(=N\O)[*:1] Cn1ncc(c1NS(=O)(=O)c1cccc(F)c1)[*:1]
Cc1ccc2ncc(C(=O)OC[C@@H]3CC(=O)N(C4CC4)C3)c(=O)n2c1 C1CC1[*:1] Cc1ccc2ncc(C(=O)OC[C@@H]3CC(=O)N(C3)[*:1])c(=O)n2c1
NS(=O)(=O)c1ccc2c(c1)N(CN1CCCCC1=O)CCC2 NS(=O)(=O)[*:1] O=C1CCCCN1CN1CCCc2ccc(cc21)[*:1]
NS(=O)(=O)c1ccc2c(c1)N(CN1CCCCC1=O)CCC2 O=C1CCCCN1[*:1] NS(=O)(=O)c1ccc2CCCN(C[*:1])c2c1
COc1ccc(-c2csc(NC(=O)COC(=O)C3CC3)n2)cc1 C1CC1[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)COC(=O)[*:1]
COc1ccc(-c2csc(NC(=O)COC(=O)C3CC3)n2)cc1 O=C(OC[*:1])C1CC1 COc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
COc1ccc(-c2csc(NC(=O)COC(=O)C3CC3)n2)cc1 O=C(O[*:1])C1CC1 COc1ccc(cc1)-c1csc(n1)NC(=O)C[*:1]
O=C([C@H]1CCOC1)N1CCc2c(ncnc2N2CCOCC2)C1 C1CN(CCO1)[*:1] O=C([C@H]1CCOC1)N1CCc2c(C1)ncnc2[*:1]
C[C@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1ccccc1Cl CC(C)(C)[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1ccccc1Cl
CCc1ccc(O)c(C(=O)Nc2cc(C(N)=O)c(F)cc2F)c1 NC(=O)[*:1] CCc1ccc(O)c(c1)C(=O)Nc1cc(c(F)cc1F)[*:1]
COc1ccc(CN(C)C(=O)COc2ccc(C#N)cc2)cc1OC N#Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)CN(C)C(=O)CO[*:1]
CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4CC[NH+](C)CC4)ncnc32)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1cc(c2c(ncnc21)N1CC[NH+](C)CC1)[*:1]
CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4CC[NH+](C)CC4)ncnc32)cc1 CCO[*:1] C[NH+]1CCN(CC1)c1ncnc2c1c(cn2-c1ccc(cc1)[*:1])-c1ccccc1
CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4CC[NH+](C)CC4)ncnc32)cc1 CCOc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ncnc2c1c(cn2[*:1])-c1ccccc1
Cc1cccc(-c2noc(CN(C)C(=O)Cc3ccccc3)n2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)-c1noc(CN(C)C(=O)[*:1])n1
Cc1cccc(-c2noc(CN(C)C(=O)Cc3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1noc(CN(C)C(=O)C[*:1])n1
Cc1cccc(-c2noc(CN(C)C(=O)Cc3ccccc3)n2)c1 Cc1cccc(c1)[*:1] CN(Cc1nc(no1)[*:1])C(=O)Cc1ccccc1
COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cc(Cl)ccc2OC)c1 COc1ccc(Cl)cc1[*:1] COc1cccc(c1)NC(=O)N(Cc1nnc2CCCCCn21)[*:1]
COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cc(Cl)ccc2OC)c1 COc1cccc(c1)[*:1] COc1ccc(Cl)cc1N(Cc1nnc2CCCCCn21)C(=O)N[*:1]
CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2cc(C)ccc2C)=N1 c1ccc(cc1)[*:1] CCN1CC(=NC(=N1)SCC(=O)Nc1cc(C)ccc1C)O[*:1]
CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2cc(C)ccc2C)=N1 Cc1ccc(C)c(c1)[*:1] CCN1CC(=NC(=N1)SCC(=O)N[*:1])Oc1ccccc1
O=C(/C=C/C1CC1)N[C@H]1CCC[C@@H]1Cc1ccccc1 C1CC1[*:1] O=C(C=C[*:1])N[C@H]1CCC[C@@H]1Cc1ccccc1
O=C(/C=C/C1CC1)N[C@H]1CCC[C@@H]1Cc1ccccc1 C(=C[*:1])C1CC1 O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)[*:1]
O=C(/C=C/C1CC1)N[C@H]1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/C1CC1)N[C@H]1CCC[C@@H]1C[*:1]
Cc1nc(NCC(C)(C)NC(=O)OC(C)(C)C)c2cc[nH]c2n1 CC(C)(C)[*:1] Cc1nc(NCC(C)(C)NC(=O)O[*:1])c2cc[nH]c2n1
Cc1ccnc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 Cc1ccnc(c1)[*:1] O=C(CCc1ncc(o1)-c1ccc(Cl)cc1)N[*:1]
Cc1ccnc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 Clc1ccc(cc1)[*:1] Cc1ccnc(c1)NC(=O)CCc1ncc(o1)[*:1]
CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(F)c(F)c3)n2)cc1 Fc1ccc(cc1F)[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)N[*:1]
CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(F)c(F)c3)n2)cc1 CCO[*:1] C[C@H](C(=O)Nc1ccc(F)c(F)c1)n1nc(ccc1=O)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(F)c(F)c3)n2)cc1 CCOc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1ccc(F)c(F)c1)n1nc(ccc1=O)[*:1]
COC(=O)C(C)(C)C(C)(C)NC(=O)C[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)C(C)(C)C(C)(C)NC(=O)C[C@H](O)[*:1]
COC(=O)C(C)(C)C(C)(C)NC(=O)C[C@H](O)c1ccc(Cl)cc1 COC(=O)[*:1] CC(C)(NC(=O)C[C@H](O)c1ccc(Cl)cc1)C(C)(C)[*:1]
COC(=O)C(C)(C)C(C)(C)NC(=O)C[C@H](O)c1ccc(Cl)cc1 COC(=O)C(C)(C)[*:1] CC(C)(NC(=O)C[C@H](O)c1ccc(Cl)cc1)[*:1]
COc1ccccc1OCC(=O)Nc1ccc(Cc2nnc(C)o2)cc1 COc1ccccc1[*:1] Cc1nnc(Cc2ccc(cc2)NC(=O)CO[*:1])o1
COc1ccccc1OCC(=O)Nc1ccc(Cc2nnc(C)o2)cc1 Cc1nnc(C[*:1])o1 COc1ccccc1OCC(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1OCC(=O)Nc1ccc(Cc2nnc(C)o2)cc1 Cc1nnc(o1)[*:1] COc1ccccc1OCC(=O)Nc1ccc(cc1)C[*:1]
CC(C)(C)C(=O)NC[C@H]1CCCN(c2ncccc2Cl)C1 CC(C)(C)C(=O)N[*:1] Clc1cccnc1N1CCC[C@@H](C1)C[*:1]
CC(C)(C)C(=O)NC[C@H]1CCCN(c2ncccc2Cl)C1 CC(C)(C)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccc1Cl)[*:1]
CC(C)(C)C(=O)NC[C@H]1CCCN(c2ncccc2Cl)C1 Clc1cccnc1[*:1] CC(C)(C)C(=O)NC[C@H]1CCCN(C1)[*:1]
C[C@@H]1CCCN(C(=O)NCC(C)(C)c2ccncc2)CC1 c1cc(ccn1)[*:1] C[C@@H]1CCCN(CC1)C(=O)NCC(C)(C)[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N[C@H](C)[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)o1 Cc1ccc(o1)[C@@H](C)[*:1] C[C@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(c1)[*:1]
O=C(C[NH+]1CCN(Cc2ccccc2)CC1)Nc1cccc(C(=O)N2CCCC2)c1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])Nc1cccc(c1)C(=O)N1CCCC1
O=C(C[NH+]1CCN(Cc2ccccc2)CC1)Nc1cccc(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1ccccc1)Nc1cccc(c1)[*:1]
O=C(C[NH+]1CCN(Cc2ccccc2)CC1)Nc1cccc(C(=O)N2CCCC2)c1 c1ccc(cc1)C[*:1] O=C(C[NH+]1CCN(CC1)[*:1])Nc1cccc(c1)C(=O)N1CCCC1
Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc2ccccc2c1 O=C(Nc1ccccc1)[*:1] Cn1c(nnc1-c1ccc2ccccc2c1)SC[*:1]
Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc2ccccc2c1 c1ccc(cc1)[*:1] Cn1c(nnc1-c1ccc2ccccc2c1)SCC(=O)N[*:1]
COC(=O)[C@@]1(NC(C)C)CCC[C@@H]([NH+]2C[C@@H](C)[C@H](C)C2)C1 CC(C)[*:1] COC(=O)[C@]1(CCC[C@H](C1)[NH+]1C[C@@H](C)[C@H](C)C1)N[*:1]
COC(=O)[C@@]1(NC(C)C)CCC[C@@H]([NH+]2C[C@@H](C)[C@H](C)C2)C1 COC(=O)[*:1] CC(C)N[C@]1(CCC[C@H](C1)[NH+]1C[C@@H](C)[C@H](C)C1)[*:1]
COC(=O)[C@@]1(NC(C)C)CCC[C@@H]([NH+]2C[C@@H](C)[C@H](C)C2)C1 CC(C)N[*:1] COC(=O)[C@]1(CCC[C@H](C1)[NH+]1C[C@@H](C)[C@H](C)C1)[*:1]
C[NH+]1CCC(NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 C[NH+]1CCC(CC1)[*:1] O=C(N[*:1])N1CCC(CC1)[NH+]1CCCC1
COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccccc2)cc1 C[C@@H](c1ccccc1)[*:1] COc1ccc(cc1)-c1n[nH]cc1C(=O)N[*:1]
COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccccc2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)c1c[nH]nc1[*:1])c1ccccc1
COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1n[nH]cc1C(=O)N[C@@H](C)[*:1]
CCCCc1noc([C@H]([NH3+])CCCC)n1 CCC[*:1] CCCC[C@@H]([NH3+])c1nc(C[*:1])no1
CCCCc1noc([C@H]([NH3+])CCCC)n1 CCCC[*:1] CCCC[C@@H]([NH3+])c1nc(no1)[*:1]
CCCCc1noc([C@H]([NH3+])CCCC)n1 CCCC[*:1] CCCCc1noc(n1)[C@H]([NH3+])[*:1]
CCCCc1noc([C@H]([NH3+])CCCC)n1 CCC[*:1] CCCCc1noc(n1)[C@H]([NH3+])C[*:1]
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NC1CC1 C1CC1[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])-c1onc(C)c1C
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NC1CC1 Cc1noc(c1C)[*:1] COc1ccc(cc1S(=O)(=O)NC1CC1)[*:1]
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NC1CC1 O=S(=O)(NC1CC1)[*:1] COc1ccc(cc1[*:1])-c1onc(C)c1C
Cc1ccccc1-n1cccc1/C=C1\NC(=O)N(c2cccc(Cl)c2)C1=O Cc1ccccc1[*:1] O=C1N/C(=C\c2cccn2[*:1])C(=O)N1c1cccc(Cl)c1
Cc1ccccc1-n1cccc1/C=C1\NC(=O)N(c2cccc(Cl)c2)C1=O Clc1cccc(c1)[*:1] Cc1ccccc1-n1cccc1/C=C1\NC(=O)N(C1=O)[*:1]
CCc1cc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)on1 CCc1cc(C[*:1])on1 O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NC1CC1
CCc1cc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)on1 C1CC1[*:1] CCc1cc(CNC(=O)c2ccc(cc2)S(=O)(=O)N[*:1])on1
CCc1cc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)on1 CCc1cc(on1)[*:1] O=C(NC[*:1])c1ccc(cc1)S(=O)(=O)NC1CC1
CCc1cc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)on1 O=S(=O)(NC1CC1)[*:1] CCc1cc(CNC(=O)c2ccc(cc2)[*:1])on1
CC(C)C[C@H](C)CC(=O)OCC(N)=O CC(C)C[*:1] C[C@H](CC(=O)OCC(N)=O)[*:1]
CC(C)C[C@H](C)CC(=O)OCC(N)=O NC(=O)[*:1] CC(C)C[C@H](C)CC(=O)OC[*:1]
CC(C)C[C@H](C)CC(=O)OCC(N)=O NC(=O)C[*:1] CC(C)C[C@H](C)CC(=O)O[*:1]
CC(C)C[C@H](C)CC(=O)OCC(N)=O CC(C)[*:1] C[C@H](CC(=O)OCC(N)=O)C[*:1]
C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)N(C)C)ccn1 CN(C)C(=O)[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1cc(ccn1)[*:1]
CSCc1ccnc(N[C@H]2CCc3cc(F)ccc32)c1 CSC[*:1] Fc1ccc2c(c1)CC[C@@H]2Nc1cc(ccn1)[*:1]
N#Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CC2)cc1 Brc1ccc(cc1)[*:1] N#Cc1ccc(cc1)C(=O)NC1(CC1)[*:1]
Cc1sc2nc(S[C@H](C)C(=O)Nc3ccccc3C#N)n(C)c(=O)c2c1C N#Cc1ccccc1[*:1] Cc1sc2nc(S[C@H](C)C(=O)N[*:1])n(C)c(=O)c2c1C
Cn1nccc1CNC(=O)NC1(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] Cn1nccc1CNC(=O)NC1(CC1)[*:1]
Cn1nccc1CNC(=O)NC1(c2cccc(Cl)c2)CC1 Cn1nccc1[*:1] O=C(NC[*:1])NC1(CC1)c1cccc(Cl)c1
Cn1nccc1CNC(=O)NC1(c2cccc(Cl)c2)CC1 Cn1nccc1C[*:1] O=C(NC1(CC1)c1cccc(Cl)c1)N[*:1]
c1cnc([C@H](CC2CCCCC2)[NH2+]C[C@H]2CCCN(c3ncccn3)C2)nc1 c1cnc(nc1)[*:1] c1cnc(nc1)[C@H](CC1CCCCC1)[NH2+]C[C@H]1CCCN(C1)[*:1]
c1cnc([C@H](CC2CCCCC2)[NH2+]C[C@H]2CCCN(c3ncccn3)C2)nc1 C1CCC(CC1)[*:1] c1cnc(nc1)[C@H](C[*:1])[NH2+]C[C@H]1CCCN(C1)c1ncccn1
c1cnc([C@H](CC2CCCCC2)[NH2+]C[C@H]2CCCN(c3ncccn3)C2)nc1 C1CCC(CC1)C[*:1] c1cnc(nc1)[C@H]([NH2+]C[C@H]1CCCN(C1)c1ncccn1)[*:1]
c1cnc([C@H](CC2CCCCC2)[NH2+]C[C@H]2CCCN(c3ncccn3)C2)nc1 c1cnc(nc1)[*:1] c1cnc(nc1)N1CCC[C@H](C[NH2+][C@@H](CC2CCCCC2)[*:1])C1
CCOc1ccc(CNC(=O)c2cc(=O)c3ccc(OC)cc3o2)cc1 CCO[*:1] COc1ccc2c(=O)cc(oc2c1)C(=O)NCc1ccc(cc1)[*:1]
Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2nc(-c3ccco3)nc2n1 c1coc(c1)[*:1] Cc1cc(N2CCN(CC2)c2cccc(Cl)c2)n2nc(nc2n1)[*:1]
Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2nc(-c3ccco3)nc2n1 Clc1cccc(c1)[*:1] Cc1cc(N2CCN(CC2)[*:1])n2nc(nc2n1)-c1ccco1
CN(CCS(C)(=O)=O)c1ncc(C[NH2+]C(C)(C)C)s1 CS(=O)(=O)C[*:1] CN(C[*:1])c1ncc(C[NH2+]C(C)(C)C)s1
CN(CCS(C)(=O)=O)c1ncc(C[NH2+]C(C)(C)C)s1 CC(C)(C)[*:1] CN(CCS(C)(=O)=O)c1ncc(C[NH2+][*:1])s1
CN(CCS(C)(=O)=O)c1ncc(C[NH2+]C(C)(C)C)s1 CS(=O)(=O)[*:1] CN(CC[*:1])c1ncc(C[NH2+]C(C)(C)C)s1
CN(CCS(C)(=O)=O)c1ncc(C[NH2+]C(C)(C)C)s1 CS(=O)(=O)CC[*:1] CN(c1ncc(C[NH2+]C(C)(C)C)s1)[*:1]
CCN(CC)CCC/N=C/C1=C([O-])CC(C)(C)CC1=O CCN(CC)[*:1] CC1(C)CC(=O)C(/C=N/CCC[*:1])=C([O-])C1
CCN(CC)CCC/N=C/C1=C([O-])CC(C)(C)CC1=O CCN(CC)C[*:1] CC1(C)CC(=O)C(/C=N/CC[*:1])=C([O-])C1
CC[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1c(C)nn(C)c1C C[C@]1(CC1(Cl)Cl)[*:1] CC[C@@H](NC(=O)[*:1])c1c(C)nn(C)c1C
CC(=O)c1ccc(NC(=O)N[C@H]2CCOC3(CCCC3)C2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@H]1CCOC2(CCCC2)C1
O=C(c1ccc(N2CCCC2)nn1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] O=C(c1ccc(nn1)N1CCCC1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccc(N2CCCC2)nn1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 C1CCN(C1)[*:1] O=C(c1ccc(nn1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
Cc1noc(CCNC(=O)c2cccc(C#N)c2)n1 Cc1noc(n1)[*:1] N#Cc1cccc(c1)C(=O)NCC[*:1]
CC(C)(C)Oc1cc(CNC(=O)N2CCC2)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])N1CCC1
CC(C)(C)Oc1cc(CNC(=O)N2CCC2)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])N1CCC1
CCCN1C(N)=[NH+]C[C@H]1c1ccc(F)cc1C CCC[*:1] Cc1cc(F)ccc1[C@@H]1C[NH+]=C(N)N1[*:1]
O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)c1cc[nH]n1 O=C(N[*:1])c1cc[nH]n1 Oc1cccc2ccc(/C=C/c3ccccc3[*:1])nc12
O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)c1cc[nH]n1 c1cc(n[nH]1)[*:1] O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)[*:1]
Cc1cccc(NC(=O)NNC(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)NNC(=O)N[*:1]
Cc1cccc(NC(=O)NNC(=O)Nc2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(NNC(=O)N[*:1])Nc1ccccc1
CC(C)N(CCC#N)C(=O)c1csc(-c2ccccc2)n1 CC(C)[*:1] N#CCCN(C(=O)c1csc(n1)-c1ccccc1)[*:1]
CC(C)N(CCC#N)C(=O)c1csc(-c2ccccc2)n1 N#CC[*:1] CC(C)N(C[*:1])C(=O)c1csc(n1)-c1ccccc1
CC(C)N(CCC#N)C(=O)c1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)N(CCC#N)C(=O)c1csc(n1)[*:1]
CC(C)N(CCC#N)C(=O)c1csc(-c2ccccc2)n1 N#CCC[*:1] CC(C)N(C(=O)c1csc(n1)-c1ccccc1)[*:1]
C[C@@H]1CCC[C@H](NS(=O)(=O)/C=C/c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] C[C@@H]1CCC[C@H](NS(=O)(=O)C=C[*:1])[C@@H]1C
Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1nc2ccc(F)cc2s1 Cc1ccccc1[*:1] Cc1nnc(SCC(=O)Nc2nc3ccc(F)cc3s2)n1[*:1]
O=C(Oc1ccc2c(c1)OCO2)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(Oc1ccc2OCOc2c1)C1(CCOCC1)[*:1]
CCS[C@H]1CCC[C@@H](NC(=O)N(C)Cc2csc([C@@H](C)OC)n2)C1 CCS[*:1] CO[C@H](C)c1nc(cs1)CN(C)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
CCS[C@H]1CCC[C@@H](NC(=O)N(C)Cc2csc([C@@H](C)OC)n2)C1 CO[C@H](C)[*:1] CCS[C@H]1CCC[C@H](C1)NC(=O)N(C)Cc1csc(n1)[*:1]
CC[S@@](=O)c1ccccc1C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] CC[S@@](=O)c1ccccc1C(=O)NCC[*:1]
CC[S@@](=O)c1ccccc1C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] CC[S@@](=O)c1ccccc1C(=O)NC[*:1]
CC(C)c1nc(C(=O)Nc2ccc3c(c2)OCCO3)n[nH]1 CC(C)[*:1] O=C(Nc1ccc2OCCOc2c1)c1n[nH]c(n1)[*:1]
CCc1c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cnn1-c1ccccn1 O=S(=O)(Nc1ccc(Cl)cc1)[*:1] CCc1c(cnn1-c1ccccn1)C(=O)Nc1ccc(C)c(c1)[*:1]
CCc1c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] CCc1c(cnn1[*:1])C(=O)Nc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(Cl)cc1
CCc1c(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cnn1-c1ccccn1 Clc1ccc(cc1)[*:1] CCc1c(cnn1-c1ccccn1)C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N[*:1]
Cc1ccc(-c2n[nH]c(CNC(=O)NCc3ccccc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccccc1)NCc1nc(n[nH]1)[*:1]
Cc1ccc(-c2n[nH]c(CNC(=O)NCc3ccccc3)n2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1n[nH]c(CNC(=O)N[*:1])n1
Cc1ccc(-c2n[nH]c(CNC(=O)NCc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1n[nH]c(CNC(=O)NC[*:1])n1
N#CCCCC[NH+]1CC2(CCCCC2)C1 N#CCC[*:1] C1CCC2(CC1)C[NH+](CC[*:1])C2
N#CCCCC[NH+]1CC2(CCCCC2)C1 N#CC[*:1] C1CCC2(CC1)C[NH+](CCC[*:1])C2
N#CCCCC[NH+]1CC2(CCCCC2)C1 N#CCCC[*:1] C1CCC2(CC1)C[NH+](C2)C[*:1]
O=C(Cc1coc(-c2cccs2)n1)N1CCOC[C@@H]1C1CC1 c1csc(c1)[*:1] O=C(Cc1coc(n1)[*:1])N1CCOC[C@@H]1C1CC1
O=C(Cc1coc(-c2cccs2)n1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(Cc1coc(n1)-c1cccs1)N1CCOC[C@H]1[*:1]
O=S(=O)(Oc1ccccc1C(F)(F)F)c1cc(F)ccc1Cl FC(F)(F)[*:1] O=S(=O)(Oc1ccccc1[*:1])c1cc(F)ccc1Cl
Cc1c(C(=O)N[C@H](C)c2ccncc2)nnn1-c1cccc([N+](=O)[O-])c1 C[C@H](c1ccncc1)[*:1] Cc1c(nnn1-c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
Cc1c(C(=O)N[C@H](C)c2ccncc2)nnn1-c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1c(nnn1-c1cccc(c1)[*:1])C(=O)N[C@H](C)c1ccncc1
Cc1c(C(=O)N[C@H](C)c2ccncc2)nnn1-c1cccc([N+](=O)[O-])c1 c1cc(ccn1)[*:1] Cc1c(nnn1-c1cccc(c1)[N+](=O)[O-])C(=O)N[C@H](C)[*:1]
CCCn1cc(C(=O)c2ncc(Cl)cc2Cl)cn1 CCC[*:1] O=C(c1cnn(c1)[*:1])c1ncc(Cl)cc1Cl
C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(-n2cncn2)cc1 Fc1ccc(c(Cl)c1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-n1cncn1
C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(cc1)[*:1]
C[C@@H](CNC(=O)Cn1ncn2nc(-c3ccco3)cc2c1=O)c1ccccc1 C[C@@H](C[*:1])c1ccccc1 O=C(Cn1ncn2nc(cc2c1=O)-c1ccco1)N[*:1]
C[C@@H](CNC(=O)Cn1ncn2nc(-c3ccco3)cc2c1=O)c1ccccc1 c1coc(c1)[*:1] C[C@@H](CNC(=O)Cn1ncn2nc(cc2c1=O)[*:1])c1ccccc1
C[C@@H](CNC(=O)Cn1ncn2nc(-c3ccco3)cc2c1=O)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(Cn1ncn2nc(cc2c1=O)-c1ccco1)NC[*:1]
C[C@@H](CNC(=O)Cn1ncn2nc(-c3ccco3)cc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)Cn1ncn2nc(cc2c1=O)-c1ccco1)[*:1]
O=C([C@@H]1CN(C(=O)c2ccccc2Cl)c2ccccc2O1)N1CCOCC1 Clc1ccccc1[*:1] O=C([C@@H]1CN(C(=O)[*:1])c2ccccc2O1)N1CCOCC1
O=C([C@@H]1CN(C(=O)c2ccccc2Cl)c2ccccc2O1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(c1ccccc1Cl)N1C[C@H](Oc2ccccc21)[*:1]
Cc1nc(C)c(CNCC2(c3ccc(F)cc3F)CC2)s1 Cc1nc(C)c(s1)[*:1] Fc1ccc(c(F)c1)C1(CC1)CNC[*:1]
C[C@@H](O)C[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2O1 C[C@@H](O)[*:1] O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@@H]1C[*:1]
C[C@@H](O)C[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2O1 C[C@@H](O)C[*:1] O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@@H]1[*:1]
CC(C)(C)CNC(=O)NCCc1csc(N2CCCC2)n1 CC(C)(C)C[*:1] O=C(NCCc1csc(n1)N1CCCC1)N[*:1]
CC(C)(C)CNC(=O)NCCc1csc(N2CCCC2)n1 CC(C)(C)[*:1] O=C(NCCc1csc(n1)N1CCCC1)NC[*:1]
CC(C)(C)CNC(=O)NCCc1csc(N2CCCC2)n1 C1CCN(C1)[*:1] CC(C)(C)CNC(=O)NCCc1csc(n1)[*:1]
C=CCNC(=O)NC(=O)[C@@H](C)Sc1nccn1-c1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] C=CCNC(=O)NC(=O)[C@@H](C)Sc1nccn1[*:1]
C=CCNC(=O)NC(=O)[C@@H](C)Sc1nccn1-c1cc(C)cc(C)c1 C=CC[*:1] Cc1cc(C)cc(c1)-n1ccnc1S[C@H](C)C(=O)NC(=O)N[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1cc(ccc1F)[N+](=O)[O-]
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])Nc1cc(ccc1F)[*:1]
CN1C(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@H]1c1cccnc1 Brc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](C(=O)NCC(C)(C)[*:1])[C@H]1c1cccnc1
CN1C(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@H]1c1cccnc1 c1cncc(c1)[*:1] CN1C(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@@H]1[*:1]
CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 c1ccc2CC(Cc2c1)[*:1] CC(C)CN1C(=O)N(C(=O)C12CC[NH+](CC2)Cc1ccc(O)cc1)[*:1]
CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 CC(C)C[*:1] O=C1N(C(=O)C2(CC[NH+](CC2)Cc2ccc(O)cc2)N1[*:1])C1Cc2ccccc2C1
CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 Oc1ccc(cc1)[*:1] CC(C)CN1C(=O)N(C(=O)C12CC[NH+](CC2)C[*:1])C1Cc2ccccc2C1
CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 Oc1ccc(cc1)C[*:1] CC(C)CN1C(=O)N(C(=O)C12CC[NH+](CC2)[*:1])C1Cc2ccccc2C1
CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 CC(C)[*:1] O=C1N(C(=O)C2(CC[NH+](CC2)Cc2ccc(O)cc2)N1C[*:1])C1Cc2ccccc2C1
[NH3+][C@H](CO)c1ccc(Cl)c(C(=O)[O-])c1 O=C([O-])[*:1] [NH3+][C@H](CO)c1ccc(Cl)c(c1)[*:1]
C[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)[C@@H](c1cccs1)N1CC[NH+](C)CC1 Fc1ccc(cc1)C[*:1] C[C@@H](NC(=O)C(=O)N[*:1])[C@@H](c1cccs1)N1CC[NH+](C)CC1
C[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)[C@@H](c1cccs1)N1CC[NH+](C)CC1 c1csc(c1)[*:1] C[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)[C@@H](N1CC[NH+](C)CC1)[*:1]
C[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)[C@@H](c1cccs1)N1CC[NH+](C)CC1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)NC[*:1])[C@@H](c1cccs1)N1CC[NH+](C)CC1
C[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cc2)CC1 C1CC1[*:1] C[NH+]1CCN(CC1)c1ccc(cc1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C1)[*:1]
C[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cc2)CC1 O=C([O-])[*:1] C[NH+]1CCN(CC1)c1ccc(cc1)C(=O)N1C[C@@H](C2CC2)[C@H](C1)[*:1]
Cc1ccc(N2CCC[C@H](NC(=O)c3cnn(CC(C)C)c3C3CC3)C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)N1CCC[C@H](NC(=O)c2cnn(C[*:1])c2C2CC2)C1=O
Cc1ccc(N2CCC[C@H](NC(=O)c3cnn(CC(C)C)c3C3CC3)C2=O)cc1 C1CC1[*:1] Cc1ccc(cc1)N1CCC[C@H](NC(=O)c2cnn(CC(C)C)c2[*:1])C1=O
Cc1ccc(N2CCC[C@H](NC(=O)c3cnn(CC(C)C)c3C3CC3)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)Cn1ncc(C(=O)N[C@H]2CCCN(C2=O)[*:1])c1C1CC1
Cc1ccc(N2CCC[C@H](NC(=O)c3cnn(CC(C)C)c3C3CC3)C2=O)cc1 CC(C)C[*:1] Cc1ccc(cc1)N1CCC[C@H](NC(=O)c2cnn(c2C2CC2)[*:1])C1=O
CCOc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2O1 CCO[*:1] Cc1ccc(cc1)S(=O)(=O)N1C[C@H](Oc2cc(C)ccc21)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2O1 CCOc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1C[C@H](Oc2cc(C)ccc21)C(=O)N[*:1]
CCOc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2O1 Cc1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)[C@@H]1CN(c2ccc(C)cc2O1)S(=O)(=O)[*:1]
O=C(CSc1ncn[nH]1)NCCOc1cccc(Cl)c1 c1n[nH]c(n1)[*:1] O=C(CS[*:1])NCCOc1cccc(Cl)c1
O=C(CSc1ncn[nH]1)NCCOc1cccc(Cl)c1 c1n[nH]c(n1)S[*:1] O=C(C[*:1])NCCOc1cccc(Cl)c1
NC(=O)c1c(NC(=O)COC(=O)c2ccc(Br)cc2)sc2c1CCCC2 NC(=O)[*:1] O=C(COC(=O)c1ccc(Br)cc1)Nc1sc2CCCCc2c1[*:1]
NC(=O)c1c(NC(=O)COC(=O)c2ccc(Br)cc2)sc2c1CCCC2 Brc1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)COC(=O)[*:1])sc2CCCCc21
CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCC(C(=O)NCc2ccco2)CC1 c1coc(c1)C[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(C)c(C)c1)N1CCC(CC1)C(=O)N[*:1]
CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCC(C(=O)NCc2ccco2)CC1 Cc1ccc(cc1C)[*:1] CC1C(=NS(=O)(=O)C=1[*:1])N1CCC(CC1)C(=O)NCc1ccco1
CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCC(C(=O)NCc2ccco2)CC1 O=C(NCc1ccco1)[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(C)c(C)c1)N1CCC(CC1)[*:1]
CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCC(C(=O)NCc2ccco2)CC1 c1coc(c1)[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(C)c(C)c1)N1CCC(CC1)C(=O)NC[*:1]
CCS(=O)(=O)NCCSc1cc(C)c2ccccc2n1 CCS(=O)(=O)N[*:1] Cc1cc(nc2ccccc12)SCC[*:1]
C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1cccc(c1)[*:1]
C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)C=C[*:1])c1cccc(c1)S(N)(=O)=O
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccnc2OCC)C1 CCC[*:1] CCOc1ncccc1C(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccnc2OCC)C1 CCC[C@@H](C)[*:1] CCOc1ncccc1C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccnc2OCC)C1 CCC[C@@H](C)NC(=O)[*:1] CCOc1ncccc1C(=O)N1CCC[C@H](C1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccnc2OCC)C1 CCO[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)c1cccnc1[*:1]
C[C@H](O)CCNC(=O)c1coc(COc2ccc3ncccc3c2)n1 C[C@H](O)CCNC(=O)[*:1] c1cnc2ccc(cc2c1)OCc1nc(co1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccccc2F)cc1 CC(C)[*:1] CN(S(=O)(=O)c1ccc(cc1)NCC(=O)Nc1ccccc1F)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccccc2F)cc1 CC(C)N(C)S(=O)(=O)[*:1] O=C(CNc1ccc(cc1)[*:1])Nc1ccccc1F
CC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccccc2F)cc1 Fc1ccccc1[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)NCC(=O)N[*:1]
O=S(=O)(NC[C@@H](CCO)c1ccccc1)c1cc(F)c(F)cc1F c1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](CCO)[*:1])c1cc(F)c(F)cc1F
O=S(=O)(NC[C@@H](CCO)c1ccccc1)c1cc(F)c(F)cc1F OCC[*:1] O=S(=O)(NC[C@@H](c1ccccc1)[*:1])c1cc(F)c(F)cc1F
COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)C(N)=O NC(=O)[*:1] COc1cn(nc1C(=O)N[C@@H](C)[*:1])-c1ccccc1
COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)C(N)=O c1ccc(cc1)[*:1] COc1cn(nc1C(=O)N[C@@H](C)C(N)=O)[*:1]
COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)C(N)=O C[C@@H](C(N)=O)[*:1] COc1cn(nc1C(=O)N[*:1])-c1ccccc1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 O=C(c1ccccc1)[*:1] COCCCN1C(=O)C([O-])=C([C@@H]1c1ccccc1)[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccc1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 COCCC[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccccc1)[*:1])c1ccccc1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 COC[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccccc1)c1ccccc1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@H]1[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 COCC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1)c1ccccc1
COc1ccc(C)cc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] Brc1ccccc1[*:1] COc1ccc(C)cc1Nc1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
COc1ccc(C)cc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(C)cc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[*:1]
COc1ccc(C)cc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] COc1ccc(C)cc1[*:1] O=C(NNc1ncnc(N[*:1])c1[N+](=O)[O-])c1ccccc1Br
COc1ccc(C)cc1Nc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] COc1ccc(C)cc1N[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1ccccc1Br
Cc1csc(C2=C(N)N(c3ccccc3C(C)C)CC2=O)n1 Cc1csc(n1)[*:1] CC(C)c1ccccc1N1CC(=O)C(=C1N)[*:1]
Cc1csc(C2=C(N)N(c3ccccc3C(C)C)CC2=O)n1 CC(C)[*:1] Cc1csc(n1)C1C(=O)CN(C=1N)c1ccccc1[*:1]
Cc1csc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)o3)n2N)n1 Cc1csc(n1)[*:1] Cc1ccc(/C=N/Nc2nnc(SCC(=O)N[*:1])n2N)o1
Cc1csc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)o3)n2N)n1 Cc1ccc(o1)[*:1] Cc1csc(n1)NC(=O)CSc1nnc(NN=C[*:1])n1N
Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(-n3cc(NC(=O)c4cccnc4)cn3)cc2)CC1 c1cncc(c1)[*:1] Cn1cc[nH+]c1CN1CCN(CC1)C(=O)c1ccc(cc1)-n1cc(cn1)NC(=O)[*:1]
Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(-n3cc(NC(=O)c4cccnc4)cn3)cc2)CC1 O=C(N[*:1])c1cccnc1 Cn1cc[nH+]c1CN1CCN(CC1)C(=O)c1ccc(cc1)-n1cc(cn1)[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)C1 Cc1ccc(cc1)[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N[C@@H](C1CC1)[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)C1 C1CC1[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N[C@@H](c1ccc(C)cc1)[*:1]
CCc1cc(OCC(C)(C)C[NH2+]C2CC2)ccc1Cl C1CC1[*:1] CCc1cc(ccc1Cl)OCC(C)(C)C[NH2+][*:1]
CN(CCS(C)(=O)=O)CC(=O)c1ccc2c(c1)CCC2 CS(=O)(=O)C[*:1] CN(CC(=O)c1ccc2CCCc2c1)C[*:1]
CN(CCS(C)(=O)=O)CC(=O)c1ccc2c(c1)CCC2 CS(=O)(=O)CC[*:1] CN(CC(=O)c1ccc2CCCc2c1)[*:1]
CN(CCS(C)(=O)=O)CC(=O)c1ccc2c(c1)CCC2 CS(=O)(=O)[*:1] CN(CC[*:1])CC(=O)c1ccc2CCCc2c1
Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccnc2Cl)c1 Cc1cccc(c1)[*:1] O=C(Nc1cccnc1Cl)N1CCC[C@H]1[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccnc2Cl)c1 Clc1ncccc1[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)N[*:1]
O=C(N[C@H](Cn1cncn1)c1ccccc1)[C@@H]1SCCc2ccccc21 c1ncn(n1)[*:1] O=C(N[C@H](C[*:1])c1ccccc1)[C@@H]1SCCc2ccccc21
O=C(N[C@H](Cn1cncn1)c1ccccc1)[C@@H]1SCCc2ccccc21 c1ccc(cc1)[*:1] O=C(N[C@H](Cn1cncn1)[*:1])[C@@H]1SCCc2ccccc21
O=C(N[C@H](Cn1cncn1)c1ccccc1)[C@@H]1SCCc2ccccc21 c1ncn(C[*:1])n1 O=C(N[C@H](c1ccccc1)[*:1])[C@@H]1SCCc2ccccc21
CCS[C@@H]1CC[C@H](NC(=O)c2n[nH]c(=O)[nH]2)C1 CCS[*:1] O=C(N[C@H]1CC[C@H](C1)[*:1])c1n[nH]c(=O)[nH]1
Cn1c([O-])c(C(c2ccccc2)c2ccccc2)c(=O)n(C)c1=S c1ccc(cc1)[*:1] Cn1c([O-])c(c(=O)n(C)c1=S)C(c1ccccc1)[*:1]
c1cncc(-c2n[nH]cc2C[NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)c1 C1C[C@H](CO1)[*:1] c1cncc(c1)-c1n[nH]cc1C[NH2+]C[C@H](N1CCOCC1)[*:1]
c1cncc(-c2n[nH]cc2C[NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)c1 c1cncc(c1)[*:1] c1[nH]nc(c1C[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1)[*:1]
c1cncc(-c2n[nH]cc2C[NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)c1 C1CN(CCO1)[*:1] c1cncc(c1)-c1n[nH]cc1C[NH2+]C[C@H]([C@@H]1CCOC1)[*:1]
CN1CCO[C@H](COc2ccc(C#CCCCl)c(F)c2)C1 ClCCC#C[*:1] CN1CCO[C@H](COc2ccc(c(F)c2)[*:1])C1
CN1CCO[C@H](COc2ccc(C#CCCCl)c(F)c2)C1 CN1CCO[C@H](C1)[*:1] Fc1cc(ccc1C#CCCCl)OC[*:1]
CN1CCO[C@H](COc2ccc(C#CCCCl)c(F)c2)C1 ClCC[*:1] CN1CCO[C@H](COc2ccc(C#C[*:1])c(F)c2)C1
CCOCc1ccc(NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc1 FC(F)[*:1] CCOCc1ccc(cc1)NC(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CCOCc1ccc(NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)C[*:1])Nc1ccc2[nH]c(nc2c1)C(F)F
CCOCc1ccc(NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc1 CCOC[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1ccc2[nH]c(nc2c1)C(F)F
Cc1cc(C)c(C)c(OCc2ccc([N+](=O)[O-])c(N)c2)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(C)c(c1)OCc1ccc(c(N)c1)[*:1]
CCc1cnc(CCNC(=O)N2CCCN(C(C)=O)CC2)s1 CCc1cnc(s1)[*:1] CC(=O)N1CCCN(CC1)C(=O)NCC[*:1]
C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N(C2=CCCCC2)C2CC2)C1=O C1CC1[*:1] C[C@@]1(NC(=O)N(CC(=O)N(C2=CCCCC2)[*:1])C1=O)c1ccc2OCOc2c1
C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N(C2=CCCCC2)C2CC2)C1=O c1cc2OCOc2cc1[*:1] C[C@@]1(NC(=O)N(CC(=O)N(C2=CCCCC2)C2CC2)C1=O)[*:1]
CN1C(=O)[C@@H](/C(N)=[NH+]\NC(=O)c2ccccc2)[C@H]2C[C@]1(C)Oc1ccccc12 c1ccc(cc1)[*:1] CN1C(=O)[C@@H](/C(N)=[NH+]\NC(=O)[*:1])[C@H]2C[C@]1(C)Oc1ccccc12
COc1ccc(OC)c([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCc2ccc(F)cc2)c1 COc1ccc(OC)c(c1)[*:1] O=C(NCc1ccc(F)cc1)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1cccc(Cl)c1
COc1ccc(OC)c([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCc2ccc(F)cc2)c1 O=C(NCc1ccc(F)cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cccc(Cl)c1
COc1ccc(OC)c([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCc2ccc(F)cc2)c1 Clc1cccc(c1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@H]1C(=O)NCc1ccc(F)cc1)C(=O)[*:1]
COc1ccc(OC)c([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCc2ccc(F)cc2)c1 Fc1ccc(cc1)C[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@H]1C(=O)N[*:1])C(=O)c1cccc(Cl)c1
COc1ccc(OC)c([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@H]1C(=O)NC[*:1])C(=O)c1cccc(Cl)c1
Cc1ccc(O[C@H](C)CNc2ccc3nnc(C(F)(F)F)n3n2)cc1 Cc1ccc(cc1)O[*:1] C[C@H](CNc1ccc2nnc(n2n1)C(F)(F)F)[*:1]
Cc1ccc(O[C@H](C)CNc2ccc3nnc(C(F)(F)F)n3n2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)O[C@H](C)CNc1ccc2nnc(n2n1)[*:1]
Cc1ccc(O[C@H](C)CNc2ccc3nnc(C(F)(F)F)n3n2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNc1ccc2nnc(n2n1)C(F)(F)F)O[*:1]
Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1cn(C)nc1C(F)(F)F FC(F)(F)[*:1] Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1cn(C)nc1[*:1]
Cc1nc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)n(C)c2)cs1 C1CN(CCO1)[*:1] Cc1nc(cs1)-c1cc(C(=O)NCc2ccc([nH+]c2)[*:1])n(C)c1
Cc1nc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)n(C)c2)cs1 Cc1nc(cs1)[*:1] Cn1cc(cc1C(=O)NCc1ccc([nH+]c1)N1CCOCC1)[*:1]
CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N[C@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@@H]1[*:1] CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N[*:1]
O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 Fc1ccc(cc1)[*:1] O=C(c1c[nH]c(=S)n1[*:1])N1CCC[C@@H](C1)c1nnc2ccccn12
O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 c1ccn2c(nnc2c1)[*:1] O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCC[C@H](C1)[*:1]
CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc([S@@](C)=O)cc1 CC(C)[*:1] Cn1nc(c(C(=O)Nc2ccc(cc2)[S@@](C)=O)c1Cl)[*:1]
O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccccc1Br
O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1)c1ccc(F)cc1 Brc1ccccc1[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccc(F)cc1
O=C(CSc1cn[nH]n1)N[C@H]1Nc2ccc([N+](=O)[O-])cc2S1 c1n[nH]nc1S[*:1] O=C(C[*:1])N[C@H]1Nc2ccc(cc2S1)[N+](=O)[O-]
O=C(CSc1cn[nH]n1)N[C@H]1Nc2ccc([N+](=O)[O-])cc2S1 O=[N+]([O-])[*:1] O=C(CSc1cn[nH]n1)N[C@H]1Nc2ccc(cc2S1)[*:1]
O=C(CSc1cn[nH]n1)N[C@H]1Nc2ccc([N+](=O)[O-])cc2S1 c1n[nH]nc1[*:1] O=C(CS[*:1])N[C@H]1Nc2ccc(cc2S1)[N+](=O)[O-]
O=C(CSc1cn[nH]n1)N[C@H]1Nc2ccc([N+](=O)[O-])cc2S1 c1n[nH]nc1SC[*:1] O=C(N[C@H]1Nc2ccc(cc2S1)[N+](=O)[O-])[*:1]
CN(CC(N)=S)[C@@H]1CCO[C@]2(CCSC2)C1 NC(=S)C[*:1] CN([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CN(CC(N)=S)[C@@H]1CCO[C@]2(CCSC2)C1 NC(=S)[*:1] CN(C[*:1])[C@@H]1CCO[C@]2(CCSC2)C1
COCC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3[nH+]ccn3C)[C@@H]2CO)cc1 COC[*:1] Cn1cc[nH+]c1CN1C(=O)CO[C@H](c2ccc(cc2)NC(=O)[*:1])[C@H]1CO
COCC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3[nH+]ccn3C)[C@@H]2CO)cc1 COCC(=O)N[*:1] Cn1cc[nH+]c1CN1C(=O)CO[C@H](c2ccc(cc2)[*:1])[C@H]1CO
O=C(CN1C(=O)CNC1=O)N[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H]1C1CC1 O=C1CNC(=O)N1C[*:1] O=C(N[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H]1C1CC1)[*:1]
O=C(CN1C(=O)CNC1=O)N[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H]1C1CC1 C1CC1[*:1] O=C(CN1C(=O)CNC1=O)N[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@H]1[*:1]
O=C(CN1C(=O)CNC1=O)N[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H]1C1CC1 O=C1CNC(=O)N1[*:1] O=C(C[*:1])N[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H]1C1CC1
Cc1nc(C2CC[NH+](Cc3cc(C)n(Cc4ccco4)c3C)CC2)no1 c1coc(c1)[*:1] Cc1nc(no1)C1CC[NH+](CC1)Cc1cc(C)n(C[*:1])c1C
Cc1nc(C2CC[NH+](Cc3cc(C)n(Cc4ccco4)c3C)CC2)no1 c1coc(c1)C[*:1] Cc1nc(no1)C1CC[NH+](CC1)Cc1cc(C)n(c1C)[*:1]
Cc1nc(C2CC[NH+](Cc3cc(C)n(Cc4ccco4)c3C)CC2)no1 Cc1nc(no1)[*:1] Cc1cc(C[NH+]2CCC(CC2)[*:1])c(C)n1Cc1ccco1
FC(F)(F)c1ccc(-n2cc(NCc3[nH]cc[nH+]3)cn2)cc1 FC(F)(F)[*:1] c1c[nH+]c(CNc2cnn(c2)-c2ccc(cc2)[*:1])[nH]1
Cc1ccc([C@@H](C)Nc2ccc(NC(N)=O)cc2)cc1F NC(=O)N[*:1] Cc1ccc(cc1F)[C@@H](C)Nc1ccc(cc1)[*:1]
C[C@@]1(C(=O)OCc2nc(C3CC3)cs2)CC1(Cl)Cl C1CC1[*:1] C[C@]1(CC1(Cl)Cl)C(=O)OCc1nc(cs1)[*:1]
C[C@@]1(C(=O)OCc2nc(C3CC3)cs2)CC1(Cl)Cl C[C@]1(CC1(Cl)Cl)[*:1] O=C(OCc1nc(cs1)C1CC1)[*:1]
N#Cc1nc(-c2ccccc2)oc1N1CC[NH+](CCc2ccccn2)CC1 c1ccc(nc1)[*:1] N#Cc1nc(oc1N1CC[NH+](CC1)CC[*:1])-c1ccccc1
N#Cc1nc(-c2ccccc2)oc1N1CC[NH+](CCc2ccccn2)CC1 c1ccc(C[*:1])nc1 N#Cc1nc(oc1N1CC[NH+](CC1)C[*:1])-c1ccccc1
N#Cc1nc(-c2ccccc2)oc1N1CC[NH+](CCc2ccccn2)CC1 c1ccc(cc1)[*:1] N#Cc1nc(oc1N1CC[NH+](CCc2ccccn2)CC1)[*:1]
N#Cc1nc(-c2ccccc2)oc1N1CC[NH+](CCc2ccccn2)CC1 c1ccc(CC[*:1])nc1 N#Cc1nc(oc1N1CC[NH+](CC1)[*:1])-c1ccccc1
CCOc1ccc2[nH]c([C@H]3Cc4ccccc4S3)nc2n1 CCO[*:1] c1ccc2S[C@H](Cc2c1)c1nc2nc(ccc2[nH]1)[*:1]
Cc1sc2c(c1C)C(=O)/C(=C\Nc1ccc(Cl)cn1)S(=O)(=O)N2C Clc1ccc(nc1)[*:1] Cc1sc2c(C(=O)/C(=C\N[*:1])S(=O)(=O)N2C)c1C
Cc1sc2c(c1C)C(=O)/C(=C\Nc1ccc(Cl)cn1)S(=O)(=O)N2C Clc1ccc(nc1)N[*:1] Cc1sc2c(C(=O)C(=C[*:1])S(=O)(=O)N2C)c1C
COc1ccc(-c2nn(C[NH+]3CCC(c4nc5ccccc5o4)CC3)c(=S)n2C)cc1 c1ccc2oc(nc2c1)[*:1] COc1ccc(cc1)-c1nn(C[NH+]2CCC(CC2)[*:1])c(=S)n1C
COc1ccc(-c2nn(C[NH+]3CCC(c4nc5ccccc5o4)CC3)c(=S)n2C)cc1 COc1ccc(cc1)[*:1] Cn1c(nn(C[NH+]2CCC(CC2)c2nc3ccccc3o2)c1=S)[*:1]
O=[N+]([O-])c1cccc2oc(NC[C@@H]3CCCC[C@H]3O)nc12 O=[N+]([O-])[*:1] O[C@@H]1CCCC[C@H]1CNc1nc2c(cccc2o1)[*:1]
Cc1cnc(-c2cccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)c2)o1 Cc1cnc(o1)[*:1] C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(c1)[*:1]
Cc1cnc(-c2cccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)c2)o1 N#Cc1ccc(cc1)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)[C@H](C)O[*:1]
O[C@H]1CCCN(c2cc(-c3ccccc3)nc3ncnn23)C1 c1ccc(cc1)[*:1] O[C@H]1CCCN(C1)c1cc(nc2ncnn12)[*:1]
O[C@H]1CCCN(c2cc(-c3ccccc3)nc3ncnn23)C1 O[C@H]1CCCN(C1)[*:1] c1ccc(cc1)-c1cc(n2ncnc2n1)[*:1]
Cc1ccc(C(=O)[O-])cc1N1CC(C)C1 CC1CN(C1)[*:1] Cc1ccc(cc1[*:1])C(=O)[O-]
Cc1ccc(C(=O)[O-])cc1N1CC(C)C1 O=C([O-])[*:1] Cc1ccc(cc1N1CC(C)C1)[*:1]
C[C@]12C(=O)N(Cc3ccccc3)CC(=O)N1C[C@H](c1ccc(Cl)cc1)C1=c3ccccc3=[NH+][C@@H]12 Clc1ccc(cc1)[*:1] C[C@]12C(=O)N(CC(=O)N1C[C@H](C1=c3ccccc3=[NH+][C@@H]12)[*:1])Cc1ccccc1
C[C@]12C(=O)N(Cc3ccccc3)CC(=O)N1C[C@H](c1ccc(Cl)cc1)C1=c3ccccc3=[NH+][C@@H]12 c1ccc(cc1)C[*:1] C[C@]12C(=O)N(CC(=O)N1C[C@@H](C1=c3ccccc3=[NH+][C@@H]12)c1ccc(Cl)cc1)[*:1]
C[C@]12C(=O)N(Cc3ccccc3)CC(=O)N1C[C@H](c1ccc(Cl)cc1)C1=c3ccccc3=[NH+][C@@H]12 c1ccc(cc1)[*:1] C[C@]12C(=O)N(CC(=O)N1C[C@@H](C1=c3ccccc3=[NH+][C@@H]12)c1ccc(Cl)cc1)C[*:1]
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1C CCOC(=O)[*:1] Cc1[nH]c(c(C)c1S(=O)(=O)NCc1ccc2OCOc2c1)[*:1]
COc1ccc(-c2nc(NCCSC)sc2C)cc1OC CSCCN[*:1] COc1ccc(cc1OC)-c1nc(sc1C)[*:1]
COc1ccc(-c2nc(NCCSC)sc2C)cc1OC CSCC[*:1] COc1ccc(cc1OC)-c1nc(N[*:1])sc1C
COc1ccc(-c2nc(NCCSC)sc2C)cc1OC CSC[*:1] COc1ccc(cc1OC)-c1nc(NC[*:1])sc1C
Cc1noc([C@@H](OC(=O)CCn2ccccc2=O)c2ccccc2)n1 O=c1ccccn1[*:1] Cc1noc(n1)[C@@H](OC(=O)CC[*:1])c1ccccc1
Cc1noc([C@@H](OC(=O)CCn2ccccc2=O)c2ccccc2)n1 Cc1noc(n1)[*:1] O=C(CCn1ccccc1=O)O[C@@H](c1ccccc1)[*:1]
Cc1noc([C@@H](OC(=O)CCn2ccccc2=O)c2ccccc2)n1 O=c1ccccn1C[*:1] Cc1noc(n1)[C@@H](OC(=O)C[*:1])c1ccccc1
Cc1noc([C@@H](OC(=O)CCn2ccccc2=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@@H](OC(=O)CCn1ccccc1=O)[*:1]
C[C@H]1CCC[C@@](CNc2cc(-n3ccnc3)ncn2)([NH+](C)C)C1 c1cn(cn1)[*:1] C[C@H]1CCC[C@](CNc2cc(ncn2)[*:1])(C1)[NH+](C)C
CCn1ccc2c(ccn2CC(=O)Nc2c(C)cccc2C)c1=O Cc1cccc(C)c1[*:1] CCn1ccc2c(ccn2CC(=O)N[*:1])c1=O
C/C(=C/C(=O)N1CCN(Cc2ccco2)CC1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(=CC(=O)N1CCN(CC1)Cc1ccco1)[*:1]
C/C(=C/C(=O)N1CCN(Cc2ccco2)CC1)c1ccc(F)cc1F c1coc(c1)[*:1] C/C(=C/C(=O)N1CCN(CC1)C[*:1])c1ccc(F)cc1F
C/C(=C/C(=O)N1CCN(Cc2ccco2)CC1)c1ccc(F)cc1F c1coc(c1)C[*:1] C/C(=C/C(=O)N1CCN(CC1)[*:1])c1ccc(F)cc1F
COc1cccc([C@H](CO)Nc2ccc(-n3ccc(C)n3)nn2)c1 Cc1ccn(n1)[*:1] COc1cccc(c1)[C@H](CO)Nc1ccc(nn1)[*:1]
COc1cccc([C@H](CO)Nc2ccc(-n3ccc(C)n3)nn2)c1 COc1cccc(c1)[*:1] Cc1ccn(n1)-c1ccc(nn1)N[C@@H](CO)[*:1]
Cc1ccnc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 O=[N+]([O-])[*:1] Cc1ccnc(c1)NC(=S)NC(=O)c1ccc(o1)-c1ccccc1[*:1]
Cc1ccnc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 Cc1ccnc(c1)[*:1] O=C(NC(=S)N[*:1])c1ccc(o1)-c1ccccc1[N+](=O)[O-]
Cc1ccnc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 O=[N+]([O-])c1ccccc1[*:1] Cc1ccnc(c1)NC(=S)NC(=O)c1ccc(o1)[*:1]
CCn1c(COC(=O)c2nn(C)c(=O)c3ccccc23)nc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] CCn1c(COC(=O)c2nn(C)c(=O)c3ccccc23)nc2cc(ccc21)[*:1]
O=C(Nc1cccc(-n2cnnc2)c1)[C@@H]1C[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1cccc(c1)-n1cnnc1)[C@@H]1C[C@H]1[*:1]
O=C(Nc1cccc(-n2cnnc2)c1)[C@@H]1C[C@@H]1c1ccccc1Cl c1nncn1[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1C[C@@H]1c1ccccc1Cl
C[S@](=O)CCNC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] C[S@](=O)CCNC(=O)c1cnc(cn1)O[*:1]
C[S@](=O)CCNC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] C[S@](=O)CCNC(=O)c1cnc(cn1)[*:1]
C=CC[C@@]1(Cl)C([O-])=C(Cl)/C(=N\CCO)C1(OC)OC OCC[*:1] C=CC[C@@]1(Cl)C([O-])=C(Cl)C(=N[*:1])C1(OC)OC
C=CC[C@@]1(Cl)C([O-])=C(Cl)/C(=N\CCO)C1(OC)OC C=CC[*:1] COC1(OC)/C(=N/CCO)C(Cl)=C([O-])[C@@]1(Cl)[*:1]
O=[N+]([O-])c1cc(NC2CCSCC2)ccc1Br O=[N+]([O-])[*:1] Brc1ccc(cc1[*:1])NC1CCSCC1
Fc1ccc(CNC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 c1csc(c1)[*:1] Fc1ccc(cc1)CNC[C@@H]([NH+]1CCCC1)[*:1]
Fc1ccc(CNC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 Fc1ccc(cc1)[*:1] c1csc(c1)[C@H](CNC[*:1])[NH+]1CCCC1
Cc1ccc(C)c(C[S@@](=O)[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C[S@@](=O)[C@@H](C)[*:1]
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccccc1)c1cc(ccc1S[*:1])[N+](=O)[O-]
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)Sc1ccc(cc1C(=O)N[*:1])[N+](=O)[O-]
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Sc1ccc(cc1C(=O)NC[*:1])[N+](=O)[O-]
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2)cc1 Cc1ccc(cc1)S[*:1] O=C(NCc1ccccc1)c1cc(ccc1[*:1])[N+](=O)[O-]
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)Sc1ccc(cc1C(=O)NCc1ccccc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)NCC3(OC)CCOCC3)CC2)cc1 CCOc1ccc(cc1)[*:1] COC1(CCOCC1)CNC(=O)N1CC=C(CC1)[*:1]
CCOc1ccc(C2=CCN(C(=O)NCC3(OC)CCOCC3)CC2)cc1 CCO[*:1] COC1(CCOCC1)CNC(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
CC(C)(C)[S@@](=O)CCNC(=O)Cc1cc(F)ccc1F CC(C)(C)[*:1] O=C(Cc1cc(F)ccc1F)NCC[S@](=O)[*:1]
NC(=O)c1ccccc1OCC#CCNC(=O)CCC1CCCCC1 C1CCC(CC1)[*:1] NC(=O)c1ccccc1OCC#CCNC(=O)CC[*:1]
NC(=O)c1ccccc1OCC#CCNC(=O)CCC1CCCCC1 C1CCC(CC1)C[*:1] NC(=O)c1ccccc1OCC#CCNC(=O)C[*:1]
NC(=O)c1ccccc1OCC#CCNC(=O)CCC1CCCCC1 C1CCC(CC1)CC[*:1] NC(=O)c1ccccc1OCC#CCNC(=O)[*:1]
NC(=O)c1ccccc1OCC#CCNC(=O)CCC1CCCCC1 NC(=O)[*:1] O=C(CCC1CCCCC1)NCC#CCOc1ccccc1[*:1]
CCCCS(=O)(=O)N[C@@H](C)c1cc(C)oc1C CCCC[*:1] Cc1cc(c(C)o1)[C@H](C)NS(=O)(=O)[*:1]
CCCCS(=O)(=O)N[C@@H](C)c1cc(C)oc1C CCC[*:1] Cc1cc(c(C)o1)[C@H](C)NS(=O)(=O)C[*:1]
CC[C@@H](C)NC(=O)N[C@H](CCSC)c1nnc2ccccn12 CSCC[*:1] CC[C@@H](C)NC(=O)N[C@H](c1nnc2ccccn12)[*:1]
CC[C@@H](C)NC(=O)N[C@H](CCSC)c1nnc2ccccn12 CSC[*:1] CC[C@@H](C)NC(=O)N[C@H](C[*:1])c1nnc2ccccn12
CC[C@@H](C)NC(=O)N[C@H](CCSC)c1nnc2ccccn12 CC[C@@H](C)[*:1] CSCC[C@@H](NC(=O)N[*:1])c1nnc2ccccn12
CNC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CNC(=O)CSc1nc(cc(n1)[*:1])-c1ccccc1
CNC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 CNC(=O)CS[*:1] c1ccc(cc1)-c1cc(nc(n1)[*:1])-c1ccccc1
CNC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 CNC(=O)[*:1] c1ccc(cc1)-c1cc(nc(n1)SC[*:1])-c1ccccc1
CNC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 CNC(=O)C[*:1] c1ccc(cc1)-c1cc(nc(n1)S[*:1])-c1ccccc1
Cc1ccc2nc(CSCC(=O)N3CCC(Cc4ccccc4)CC3)cc(=O)n2c1 c1ccc(cc1)C[*:1] Cc1ccc2nc(cc(=O)n2c1)CSCC(=O)N1CCC(CC1)[*:1]
Cc1ccc2nc(CSCC(=O)N3CCC(Cc4ccccc4)CC3)cc(=O)n2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(cc(=O)n2c1)CSCC(=O)N1CCC(CC1)C[*:1]
CCCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)C[*:1] CCCC[C@H]1S/C(=N/N=C/c2ccco2)N(C1=O)[*:1]
CCCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O CCCC[*:1] O=C1[C@H](S/C(=N/N=C/c2ccco2)N1Cc1ccc(F)cc1)[*:1]
CCCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O c1coc(c1)[*:1] CCCC[C@H]1S/C(=N/N=C[*:1])N(Cc2ccc(F)cc2)C1=O
CCCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] CCCC[C@H]1S/C(=N/N=C/c2ccco2)N(C[*:1])C1=O
CCCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O CCC[*:1] O=C1[C@@H](C[*:1])S/C(=N/N=C/c2ccco2)N1Cc1ccc(F)cc1
Cc1ccc(C)c(OCC(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)NNC(=O)CO[*:1]
Cc1ccc(C)c(OCC(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 Cc1ccc(C)c(c1)O[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)NNC(=O)C[*:1]
Cc1ccc(C)c(OCC(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)OCC(=O)NNC(=O)C(C)(C)O[*:1]
Cc1ccc(C)c(OCC(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 Clc1ccc(cc1)O[*:1] Cc1ccc(C)c(c1)OCC(=O)NNC(=O)C(C)(C)[*:1]
COc1cccc2ccc(C[NH+]3CCN(c4nc(C)cnc4C)CC3)nc12 Cc1cnc(C)c(n1)[*:1] COc1cccc2ccc(C[NH+]3CCN(CC3)[*:1])nc12
CCN1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(C)cc4)ccc3[nH+]2)CC1 Cc1ccc(cc1)[*:1] CCN1CCN(CC1)c1cc(C)c2cc(ccc2[nH+]1)NC(=O)CO[*:1]
CCN1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(C)cc4)ccc3[nH+]2)CC1 CCN1CCN(CC1)[*:1] Cc1ccc(cc1)OCC(=O)Nc1ccc2[nH+]c(cc(C)c2c1)[*:1]
CCN1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(C)cc4)ccc3[nH+]2)CC1 Cc1ccc(cc1)OC[*:1] CCN1CCN(CC1)c1cc(C)c2cc(ccc2[nH+]1)NC(=O)[*:1]
CCN1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(C)cc4)ccc3[nH+]2)CC1 Cc1ccc(cc1)O[*:1] CCN1CCN(CC1)c1cc(C)c2cc(ccc2[nH+]1)NC(=O)C[*:1]
C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)[C@H](C)Cc1cccs1 Brc1ccccc1[*:1] C[C@@H]([NH3+])[C@H](N(C)[C@H](C)Cc1cccs1)[*:1]
C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)[C@H](C)[*:1]
C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)[C@H](C)C[*:1]
CCCn1cc([C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)c2ccccc21 Cc1cccc(c1)[*:1] CCCn1cc(c2ccccc21)[C@@H]1CC(=O)N(C1=O)[*:1]
CCCn1cc([C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)c2ccccc21 CCC[*:1] Cc1cccc(c1)N1C(=O)C[C@H](C1=O)c1cn(c2ccccc12)[*:1]
COCCn1c(SCC#N)nnc1-c1ccc(OC)cc1 COCC[*:1] COc1ccc(cc1)-c1nnc(SCC#N)n1[*:1]
COCCn1c(SCC#N)nnc1-c1ccc(OC)cc1 N#CCS[*:1] COCCn1c(nnc1[*:1])-c1ccc(cc1)OC
COCCn1c(SCC#N)nnc1-c1ccc(OC)cc1 N#CC[*:1] COCCn1c(nnc1-c1ccc(cc1)OC)S[*:1]
COCCn1c(SCC#N)nnc1-c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)-c1nnc(SCC#N)n1C[*:1]
O=C([O-])c1ccc2nc(-n3cccc3)sc2c1 c1ccn(c1)[*:1] O=C([O-])c1ccc2nc(sc2c1)[*:1]
O=C([O-])c1ccc2nc(-n3cccc3)sc2c1 O=C([O-])[*:1] c1ccn(c1)-c1nc2ccc(cc2s1)[*:1]
CCN1CCO[C@H](C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 CCN1CCO[C@H](C1)[*:1] COc1cc[nH+]c(c1)N1CCN(CC1)C(=O)[*:1]
CCCn1cc(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c(C)n1 CCC[*:1] Cc1ccc(nc1)C1(O)CCN(CC1)C(=O)c1cn(nc1C)[*:1]
CCCn1cc(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c(C)n1 Cc1ccc(nc1)[*:1] CCCn1cc(C(=O)N2CCC(O)(CC2)[*:1])c(C)n1
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Br)cc2)NC(=O)N1 c1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)OCC[*:1])c1ccc(Br)cc1
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Br)cc2)NC(=O)N1 c1ccc(cc1)C[*:1] CC1NC(=O)N[C@H](C=1C(=O)OC[*:1])c1ccc(Br)cc1
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Br)cc2)NC(=O)N1 c1ccc(cc1)CC[*:1] CC1NC(=O)N[C@H](C=1C(=O)O[*:1])c1ccc(Br)cc1
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Br)cc2)NC(=O)N1 Brc1ccc(cc1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OCCc1ccccc1)[*:1]
CCOC(=O)c1c(CSc2ncn[nH]2)nc2ccccc2c1-c1ccccc1 c1n[nH]c(n1)SC[*:1] CCOC(=O)c1c(nc2ccccc2c1-c1ccccc1)[*:1]
CCOC(=O)c1c(CSc2ncn[nH]2)nc2ccccc2c1-c1ccccc1 CCOC(=O)[*:1] c1ccc(cc1)-c1c(c(CSc2ncn[nH]2)nc2ccccc12)[*:1]
CCOC(=O)c1c(CSc2ncn[nH]2)nc2ccccc2c1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1c(CSc2ncn[nH]2)nc2ccccc2c1[*:1]
CCOC(=O)c1c(CSc2ncn[nH]2)nc2ccccc2c1-c1ccccc1 c1n[nH]c(n1)S[*:1] CCOC(=O)c1c(C[*:1])nc2ccccc2c1-c1ccccc1
CCOC(=O)c1c(CSc2ncn[nH]2)nc2ccccc2c1-c1ccccc1 c1n[nH]c(n1)[*:1] CCOC(=O)c1c(CS[*:1])nc2ccccc2c1-c1ccccc1
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C1 O=C(c1ccccc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1ccc(cc1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1ccc(cc1)C(=O)[*:1]
CC[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)C(C)C c1ccc(cc1)[*:1] CC[C@H]([NH2+][C@@H](C)[C@H](O)C[*:1])C(C)C
CC[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)C(C)C CC(C)[*:1] CC[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)[*:1]
CC[C@@H](NC(=O)N(C)[C@@H](C)Cc1ccsc1)c1ccncc1 c1cc(cs1)C[*:1] CC[C@@H](NC(=O)N(C)[C@@H](C)[*:1])c1ccncc1
CC[C@@H](NC(=O)N(C)[C@@H](C)Cc1ccsc1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N(C)[C@@H](C)Cc1ccsc1)[*:1]
CC[C@@H](NC(=O)N(C)[C@@H](C)Cc1ccsc1)c1ccncc1 c1cc(cs1)[*:1] CC[C@@H](NC(=O)N(C)[C@@H](C)C[*:1])c1ccncc1
CC(C)(C)[C@H](C#N)NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] CC(C)(C)[C@H](C#N)NC(=O)c1ccnc(c1)[*:1]
CC(C)(C)[C@H](C#N)NC(=O)c1ccnc(OC2CCC2)c1 CC(C)(C)[*:1] N#C[C@H](NC(=O)c1ccnc(c1)OC1CCC1)[*:1]
CC(C)(C)[C@H](C#N)NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] CC(C)(C)[C@H](C#N)NC(=O)c1ccnc(c1)O[*:1]
CCc1ccc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)o1 CCc1ccc(o1)[*:1] C[S@](=O)Cc1cc(ccc1Cl)NC(=O)[*:1]
CCc1ccc(-c2ccc(N3CCC(C(=O)[O-])CC3)nn2)cc1 O=C([O-])[*:1] CCc1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](C)N=C1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 CC(C)[*:1] CC1C(=N[C@H](C)C=1C(=O)O[*:1])C(=O)Nc1ccc2O[C@H](C)C(=O)Nc2c1
CC1=C(C(=O)OC(C)C)[C@@H](C)N=C1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 CC(C)OC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)Nc1ccc2O[C@H](C)C(=O)Nc2c1
O=S(=O)(c1ccccc1N1CC[NH+](CCCO)CC1)C(F)(F)F O=S(=O)(C(F)(F)F)[*:1] OCCC[NH+]1CCN(CC1)c1ccccc1[*:1]
O=S(=O)(c1ccccc1N1CC[NH+](CCCO)CC1)C(F)(F)F OCC[*:1] O=S(=O)(c1ccccc1N1CC[NH+](CC1)C[*:1])C(F)(F)F
O=S(=O)(c1ccccc1N1CC[NH+](CCCO)CC1)C(F)(F)F FC(F)(F)[*:1] O=S(=O)(c1ccccc1N1CC[NH+](CCCO)CC1)[*:1]
O=S(=O)(c1ccccc1N1CC[NH+](CCCO)CC1)C(F)(F)F OCCC[*:1] O=S(=O)(c1ccccc1N1CC[NH+](CC1)[*:1])C(F)(F)F
CC(C)[C@@H](C[NH+](C)C)NCc1ccc(C2CC2)cc1 CC(C)[*:1] C[NH+](C)C[C@@H](NCc1ccc(cc1)C1CC1)[*:1]
CC(C)[C@@H](C[NH+](C)C)NCc1ccc(C2CC2)cc1 C1CC1[*:1] CC(C)[C@@H](C[NH+](C)C)NCc1ccc(cc1)[*:1]
CCC[C@@H](CC)n1c([C@H](C)Cl)nc2c(C)ccnc21 C[C@H](Cl)[*:1] CCC[C@@H](CC)n1c(nc2c(C)ccnc21)[*:1]
CCC[C@@H](CC)n1c([C@H](C)Cl)nc2c(C)ccnc21 CCC[C@@H](CC)[*:1] Cc1ccnc2c1nc([C@H](C)Cl)n2[*:1]
CCC[C@@H](CC)n1c([C@H](C)Cl)nc2c(C)ccnc21 CCC[*:1] CC[C@@H](n1c(nc2c(C)ccnc21)[C@H](C)Cl)[*:1]
COc1ccccc1N1C[C@H](C(=O)N(C(C)C)C2CCC2)CC1=O COc1ccccc1[*:1] CC(C)N(C(=O)[C@@H]1CC(=O)N(C1)[*:1])C1CCC1
COc1ccccc1N1C[C@H](C(=O)N(C(C)C)C2CCC2)CC1=O CC(C)[*:1] COc1ccccc1N1C[C@@H](CC1=O)C(=O)N(C1CCC1)[*:1]
COc1ccccc1N1C[C@H](C(=O)N(C(C)C)C2CCC2)CC1=O C1CC(C1)[*:1] COc1ccccc1N1C[C@@H](CC1=O)C(=O)N(C(C)C)[*:1]
O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)nc13)CCC2)Nc1cc(F)ccc1F c1ccc(cc1)[*:1] O=C(Cn1c2CCCc2c(=O)n2nc(nc12)[*:1])Nc1cc(F)ccc1F
O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)nc13)CCC2)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(Cn1c2CCCc2c(=O)n2nc(nc12)-c1ccccc1)N[*:1]
C[C@H](NCc1ccc(F)c(CO)c1)c1nccs1 c1csc(n1)[*:1] C[C@H](NCc1ccc(F)c(c1)CO)[*:1]
Cc1ccccc1-n1nc2c(c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)CS(=O)(=O)C2 Cc1ccccc1[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
Cc1ccccc1-n1nc2c(c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)CS(=O)(=O)C2 O=[N+]([O-])[*:1] Cc1ccccc1-n1nc2CS(=O)(=O)Cc2c1NC(=O)c1cc(ccc1Cl)[*:1]
Cc1ccccc1-n1nc2c(c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)CS(=O)(=O)C2 O=[N+]([O-])c1ccc(Cl)c(c1)[*:1] Cc1ccccc1-n1nc2CS(=O)(=O)Cc2c1NC(=O)[*:1]
Cc1ccccc1COc1cccc(CC(=O)N(C)Cc2nccs2)c1 c1csc(C[*:1])n1 Cc1ccccc1COc1cccc(c1)CC(=O)N(C)[*:1]
Cc1ccccc1COc1cccc(CC(=O)N(C)Cc2nccs2)c1 Cc1ccccc1C[*:1] CN(Cc1nccs1)C(=O)Cc1cccc(c1)O[*:1]
Cc1ccccc1COc1cccc(CC(=O)N(C)Cc2nccs2)c1 Cc1ccccc1[*:1] CN(Cc1nccs1)C(=O)Cc1cccc(c1)OC[*:1]
Cc1ccccc1COc1cccc(CC(=O)N(C)Cc2nccs2)c1 c1csc(n1)[*:1] Cc1ccccc1COc1cccc(c1)CC(=O)N(C)C[*:1]
N#Cc1ccc(CNC(=O)N2CCCCC[C@@H]2c2ccco2)cc1 c1coc(c1)[*:1] N#Cc1ccc(cc1)CNC(=O)N1CCCCC[C@H]1[*:1]
N#Cc1ccc(CNC(=O)N2CCCCC[C@@H]2c2ccco2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NC[*:1])N1CCCCC[C@@H]1c1ccco1
CNC(=O)CC[NH+](C)Cc1ccccc1 CNC(=O)C[*:1] C[NH+](Cc1ccccc1)C[*:1]
CNC(=O)CC[NH+](C)Cc1ccccc1 CNC(=O)[*:1] C[NH+](CC[*:1])Cc1ccccc1
NC(=O)[C@H]1COCCN1C(=O)c1csc(-c2ccoc2)n1 NC(=O)[*:1] O=C(c1csc(n1)-c1ccoc1)N1CCOC[C@@H]1[*:1]
NC(=O)[C@H]1COCCN1C(=O)c1csc(-c2ccoc2)n1 c1cc(co1)[*:1] NC(=O)[C@H]1COCCN1C(=O)c1csc(n1)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CO)CC1 CCC(CC)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])N[C@H]1CCCC[C@@H]1CO
CN(C)C(=O)c1ccc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)nc1 CN(C)C(=O)[*:1] O[C@@H]1CN(CC[C@H]1c1ccc2ccccc2c1)c1ccc(cn1)[*:1]
CC[C@H](C)NC(=O)Cn1cnc2c(sc3ccccc32)c1=O CC[C@H](C)NC(=O)[*:1] O=c1c2sc3ccccc3c2ncn1C[*:1]
CC[C@H](C)NC(=O)Cn1cnc2c(sc3ccccc32)c1=O CC[C@H](C)[*:1] O=C(Cn1cnc2c(sc3ccccc32)c1=O)N[*:1]
O=C(NC[C@H](O)c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(NC[C@H](O)c1ccc(F)cc1)c1ccc(cc1)[*:1]
O=C(NC[C@H](O)c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@H](O)[*:1])c1ccc(cc1)N1CCCC1=O
O=C(CCn1cncn1)Nc1ccnn1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1cncn1)Nc1ccnn1C[*:1]
O=C(CCn1cncn1)Nc1ccnn1Cc1ccccc1 c1ncn(n1)[*:1] O=C(CC[*:1])Nc1ccnn1Cc1ccccc1
O=C(CCn1cncn1)Nc1ccnn1Cc1ccccc1 c1ncn(C[*:1])n1 O=C(C[*:1])Nc1ccnn1Cc1ccccc1
O=C(CCn1cncn1)Nc1ccnn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCn1cncn1)Nc1ccnn1[*:1]
O=C(CCn1cncn1)Nc1ccnn1Cc1ccccc1 c1ncn(CC[*:1])n1 O=C(Nc1ccnn1Cc1ccccc1)[*:1]
Cc1nc(Cl)sc1C(=O)N[C@H](Cc1ccccc1)C1CC1 C1CC1[*:1] Cc1nc(Cl)sc1C(=O)N[C@H](Cc1ccccc1)[*:1]
Cc1nc(Cl)sc1C(=O)N[C@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] Cc1nc(Cl)sc1C(=O)N[C@H](C[*:1])C1CC1
Cc1nc(Cl)sc1C(=O)N[C@H](Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] Cc1nc(Cl)sc1C(=O)N[C@H](C1CC1)[*:1]
Cc1nc(Cl)sc1C(=O)N[C@H](Cc1ccccc1)C1CC1 Cc1nc(Cl)sc1[*:1] O=C(N[C@H](Cc1ccccc1)C1CC1)[*:1]
CC(C)[C@@H](CCC(=O)[O-])CC[NH+]1CC2(CC2)C1 O=C([O-])CC[*:1] CC(C)[C@@H](CC[NH+]1CC2(CC2)C1)[*:1]
CC(C)[C@@H](CCC(=O)[O-])CC[NH+]1CC2(CC2)C1 O=C([O-])C[*:1] CC(C)[C@H](CC[NH+]1CC2(CC2)C1)C[*:1]
CC(C)[C@@H](CCC(=O)[O-])CC[NH+]1CC2(CC2)C1 O=C([O-])[*:1] CC(C)[C@H](CC[NH+]1CC2(CC2)C1)CC[*:1]
CC(C)[C@@H](CCC(=O)[O-])CC[NH+]1CC2(CC2)C1 CC(C)[*:1] O=C([O-])CC[C@@H](CC[NH+]1CC2(CC2)C1)[*:1]
CCCC1=NC(SCC(=O)Nc2cc(C(C)(C)C)no2)=NC(=O)C1 CCC[*:1] CC(C)(C)c1cc(NC(=O)CSC2=NC(=O)CC(=N2)[*:1])on1
CCCC1=NC(SCC(=O)Nc2cc(C(C)(C)C)no2)=NC(=O)C1 CC(C)(C)[*:1] CCCC1CC(=O)N=C(N=1)SCC(=O)Nc1cc(no1)[*:1]
Cc1cc(-c2noc([C@H](C)N(C)Cc3nccn3C(F)F)n2)ccc1F FC(F)[*:1] Cc1cc(ccc1F)-c1noc(n1)[C@H](C)N(C)Cc1nccn1[*:1]
Cc1cc(-c2noc([C@H](C)N(C)Cc3nccn3C(F)F)n2)ccc1F Cc1cc(ccc1F)[*:1] C[C@@H](c1nc(no1)[*:1])N(C)Cc1nccn1C(F)F
Cc1cc(-c2noc([C@H](C)N(C)Cc3nccn3C(F)F)n2)ccc1F FC(F)n1ccnc1[*:1] Cc1cc(ccc1F)-c1noc(n1)[C@H](C)N(C)C[*:1]
CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2N(C)C)c1 CN(C)c1ccccc1[*:1] CC(C)CC(=O)Nc1cccc(c1)CNC(=O)N[*:1]
CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2N(C)C)c1 CN(C)[*:1] CC(C)CC(=O)Nc1cccc(c1)CNC(=O)Nc1ccccc1[*:1]
CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2N(C)C)c1 CC(C)CC(=O)N[*:1] CN(C)c1ccccc1NC(=O)NCc1cccc(c1)[*:1]
CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2N(C)C)c1 CC(C)[*:1] CN(C)c1ccccc1NC(=O)NCc1cccc(c1)NC(=O)C[*:1]
CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2N(C)C)c1 CC(C)C[*:1] CN(C)c1ccccc1NC(=O)NCc1cccc(c1)NC(=O)[*:1]
COc1cccc(NC(=O)[C@H]2COC3(CCN(C(=O)c4ccco4)CC3)N2C(=O)c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1COC2(CCN(CC2)C(=O)c2ccco2)N1C(=O)c1ccccc1
COc1cccc(NC(=O)[C@H]2COC3(CCN(C(=O)c4ccco4)CC3)N2C(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@H]1COC2(CCN(CC2)C(=O)c2ccco2)N1C(=O)[*:1]
COc1cccc(NC(=O)[C@H]2COC3(CCN(C(=O)c4ccco4)CC3)N2C(=O)c2ccccc2)c1 COc1cccc(c1)NC(=O)[*:1] O=C(c1ccco1)N1CCC2(CC1)OC[C@@H](N2C(=O)c1ccccc1)[*:1]
COc1cccc(NC(=O)[C@H]2COC3(CCN(C(=O)c4ccco4)CC3)N2C(=O)c2ccccc2)c1 c1coc(c1)[*:1] COc1cccc(c1)NC(=O)[C@H]1COC2(CCN(CC2)C(=O)[*:1])N1C(=O)c1ccccc1
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1Cl
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)C2=c3ccccc3=[NH+]C2)C1=O Clc1ccc(c(Cl)c1)[*:1] C[C@]1(NC(=O)N(CC(=O)C2C[NH+]=c3ccccc3=2)C1=O)[*:1]
O=C([O-])c1cnccc1-c1cccc(C(F)(F)F)c1 O=C([O-])[*:1] FC(F)(F)c1cccc(c1)-c1ccncc1[*:1]
O=C([O-])c1cnccc1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C([O-])c1cnccc1-c1cccc(c1)[*:1]
CCOC(=O)[C@@H](C)NC(=O)C[C@@H]1CCCCO1 CCOC(=O)[*:1] C[C@@H](NC(=O)C[C@@H]1CCCCO1)[*:1]
C[C@H](Nc1ccc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1)c1ccccc1 C1CC1C[*:1] C[C@H](Nc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccccc1
C[C@H](Nc1ccc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1)c1ccccc1 C[C@H](N[*:1])c1ccccc1 O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(CC2CC2)C1
C[C@H](Nc1ccc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)[*:1]
C[C@H](Nc1ccc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(Nc1ccc(cc1)N[*:1])[C@H]1CC(=O)N(CC2CC2)C1
C[C@H](Nc1ccc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1)c1ccccc1 C1CC1[*:1] C[C@H](Nc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)C[*:1])c1ccccc1
C[C@H]1OCC[C@@H]1N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H]1OCC[C@@H]1N[C@H](c1cccnc1)c1cccc(c1)[*:1]
C[C@H]1OCC[C@@H]1N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 c1cncc(c1)[*:1] C[C@H]1OCC[C@@H]1N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
O=C(Oc1cc(=O)oc2c1c(=O)n1c3c(cccc23)CC1)c1ccco1 c1coc(c1)[*:1] O=C(Oc1cc(=O)oc2c1c(=O)n1CCc3cccc2c31)[*:1]
O=C(Oc1cc(=O)oc2c1c(=O)n1c3c(cccc23)CC1)c1ccco1 O=C(O[*:1])c1ccco1 O=c1cc(c2c(=O)n3CCc4cccc(c2o1)c43)[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c1 Cn1cc(ccc1=O)[*:1] COc1ccc(OC)c(c1)CN1CCN(CC1)C(=O)[*:1]
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCC[*:1]
COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(F)cc2)c1 COc1cccc(c1)[*:1] CC(=O)C1=C(O)C(=O)N([C@@H]1c1ccc(F)cc1)[*:1]
COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)N1C(=O)C(O)=C(C(C)=O)[C@@H]1[*:1]
COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(F)cc2)c1 CC(=O)[*:1] COc1cccc(c1)N1C(=O)C(O)=C([C@H]1c1ccc(F)cc1)[*:1]
C/C(=N/NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccc2c(c1)OCCO2 Brc1ccccc1[*:1] C/C(=N/NC(=O)CN(S(C)(=O)=O)[*:1])c1ccc2OCCOc2c1
O=C(c1cccc(F)c1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 Fc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1ccc(cc1)-c1noc(n1)C1CC1)[*:1]
O=C(c1cccc(F)c1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 C1CC1c1nc(no1)[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)c1ccc(cc1)[*:1]
O=C(c1cccc(F)c1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 C1CC1[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)c1ccc(cc1)-c1noc(n1)[*:1]
CCCCN(C)S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 C1CC1[*:1] CCCCN(C)S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)[*:1]
CCCCN(C)S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 CCCC[*:1] CN(S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)[*:1]
CCCCN(C)S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 CCC[*:1] CN(C[*:1])S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1
O=C1N=C2NC3=C(C(=O)CCC3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1 O=[N+]([O-])[*:1] O=C1N=C2NC3CCCC(=O)C=3[C@H](c3ccc(cc3)[*:1])[C@H]2C(=O)N1
CC(=O)Oc1cc2c(cc1Cl)[C@]1(C[C@H](c3ccccc3)O2)CC(C)(C)NC(=S)N1 c1ccc(cc1)[*:1] CC(=O)Oc1cc2O[C@@H](C[C@]3(CC(C)(C)NC(=S)N3)c2cc1Cl)[*:1]
CC(=O)Oc1cc2c(cc1Cl)[C@]1(C[C@H](c3ccccc3)O2)CC(C)(C)NC(=S)N1 CC(=O)O[*:1] CC1(C)C[C@]2(C[C@@H](Oc3cc(c(Cl)cc32)[*:1])c2ccccc2)NC(=S)N1
CCn1c(NS(=O)(=O)c2cnn(C)c2)nc2cc(Cl)ccc21 Cn1cc(cn1)[*:1] CCn1c(nc2cc(Cl)ccc21)NS(=O)(=O)[*:1]
COc1cccc(C(=O)Oc2cccc(-n3cccn3)c2)c1F c1cnn(c1)[*:1] COc1cccc(C(=O)Oc2cccc(c2)[*:1])c1F
CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CS(=O)(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
CC[C@@H](CCO)CNc1cc[nH+]c2ccccc12 CC[C@@H](CCO)[*:1] c1ccc2c(cc[nH+]c2c1)NC[*:1]
CC[C@@H](CCO)CNc1cc[nH+]c2ccccc12 OCC[*:1] CC[C@@H](CNc1cc[nH+]c2ccccc12)[*:1]
C=CCCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 C=CCC[*:1] O=C(N[C@H]1CCN(C1)c1c(F)cccc1F)[*:1]
C=CCCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 C=CC[*:1] O=C(C[*:1])N[C@H]1CCN(C1)c1c(F)cccc1F
CC[C@H]1CN(Cc2ccc(OCC(F)(F)F)c(OC)c2)C[C@H](C)O1 FC(F)(F)CO[*:1] CC[C@H]1CN(Cc2ccc(c(c2)OC)[*:1])C[C@H](C)O1
CC[C@H]1CN(Cc2ccc(OCC(F)(F)F)c(OC)c2)C[C@H](C)O1 FC(F)(F)[*:1] CC[C@H]1CN(Cc2ccc(OC[*:1])c(c2)OC)C[C@H](C)O1
CC[C@H]1CN(Cc2ccc(OCC(F)(F)F)c(OC)c2)C[C@H](C)O1 FC(F)(F)C[*:1] CC[C@H]1CN(Cc2ccc(O[*:1])c(c2)OC)C[C@H](C)O1
CCn1cc(-c2cc(C(F)(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cn1 CC(C)[*:1] CCn1cc(cn1)-c1cc(c2c(nn(-c3ccc(F)cc3)c2n1)[*:1])C(F)(F)F
CCn1cc(-c2cc(C(F)(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cn1 FC(F)(F)[*:1] CCn1cc(cn1)-c1cc(c2c(nn(-c3ccc(F)cc3)c2n1)C(C)C)[*:1]
CCn1cc(-c2cc(C(F)(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cn1 CCn1cc(cn1)[*:1] CC(C)c1nn(-c2ccc(F)cc2)c2nc(cc(c12)C(F)(F)F)[*:1]
CCn1cc(-c2cc(C(F)(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cn1 Fc1ccc(cc1)[*:1] CCn1cc(cn1)-c1cc(c2c(nn(c2n1)[*:1])C(C)C)C(F)(F)F
C[C@@H](NC(=O)c1ccc(F)c(F)c1F)C(N)=S C[C@@H](C(N)=S)[*:1] O=C(N[*:1])c1ccc(F)c(F)c1F
C[C@@H](NC(=O)c1ccc(F)c(F)c1F)C(N)=S NC(=S)[*:1] C[C@@H](NC(=O)c1ccc(F)c(F)c1F)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)C1 CC(=O)N[*:1] C[C@@H]1C[C@H]1[C@H](NC(=O)N1CCC[C@@H](C1)C[*:1])c1ccc(Cl)cc1
CC(=O)NC[C@H]1CCCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)C1 CC(=O)NC[*:1] C[C@@H]1C[C@H]1[C@H](NC(=O)N1CCC[C@@H](C1)[*:1])c1ccc(Cl)cc1
CC(=O)NC[C@H]1CCCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)C1 Clc1ccc(cc1)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)N[C@H]([C@@H]1C[C@H]1C)[*:1]
O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1cccc(F)c1)N[*:1]
O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(F)cc1 Fc1cccc(c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1ccc(F)cc1
CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1OC Cc1ccc(cc1)[*:1] CCCOc1ccc(cc1OC)[C@@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)[*:1]
CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1OC CCC[*:1] COc1cc(ccc1O[*:1])[C@@H]1CC(=O)NC2C[C@H](CC(=O)C=21)c1ccc(C)cc1
CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1OC CCCO[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(=O)NC2C[C@H](CC(=O)C=21)c1ccc(C)cc1
C=CCS(=O)(=O)/N=C(\[O-])[C@@H](C)Oc1cccc(Br)c1 C=CC[*:1] C[C@@H](Oc1cccc(Br)c1)/C([O-])=N/S(=O)(=O)[*:1]
CCC[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CCC[*:1] C[C@@H](C(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])[*:1]
CCC[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CCC[C@@H](C)[*:1] O=C(Nc1ccc(F)c(c1)[N+](=O)[O-])[*:1]
CCC[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC[C@@H](C)C(=O)Nc1ccc(F)c(c1)[*:1]
O=C(c1cnsn1)N1CCOc2ccc([C@H](O)CCc3ccccc3)cc2C1 c1ccc(cc1)CC[*:1] O=C(c1cnsn1)N1CCOc2ccc(cc2C1)[C@H](O)[*:1]
O=C(c1cnsn1)N1CCOc2ccc([C@H](O)CCc3ccccc3)cc2C1 c1nsnc1[*:1] O=C(N1CCOc2ccc(cc2C1)[C@H](O)CCc1ccccc1)[*:1]
O=C(c1cnsn1)N1CCOc2ccc([C@H](O)CCc3ccccc3)cc2C1 c1ccc(cc1)C[*:1] O=C(c1cnsn1)N1CCOc2ccc(cc2C1)[C@H](O)C[*:1]
O=C(c1cnsn1)N1CCOc2ccc([C@H](O)CCc3ccccc3)cc2C1 c1ccc(cc1)[*:1] O=C(c1cnsn1)N1CCOc2ccc(cc2C1)[C@H](O)CC[*:1]
CCSc1cncc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C(C)C)n1 CCS[*:1] CC(C)n1c(nnc1[C@H]1CCC[NH2+]C1)Sc1cncc(n1)[*:1]
CCSc1cncc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C(C)C)n1 CC(C)[*:1] CCSc1cncc(n1)Sc1nnc([C@H]2CCC[NH2+]C2)n1[*:1]
Cc1cccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)c1 Cc1cccc(c1)[*:1] Nc1cccc(Cl)c1N1CCN(CC1)C(=O)[*:1]
COc1ccc(-c2nc(CC(=O)Nc3ccc(C)cc3Br)cs2)cc1OC Cc1ccc(c(Br)c1)[*:1] COc1ccc(cc1OC)-c1nc(cs1)CC(=O)N[*:1]
Cc1cccc2ncnc(N3CCN(C(=O)c4ccco4)CC3)c12 c1coc(c1)[*:1] Cc1cccc2ncnc(c12)N1CCN(CC1)C(=O)[*:1]
C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccco3)ccc2N1 c1coc(c1)C[*:1] C[C@@H]1Cc2cc(ccc2N1)S(=O)(=O)N[*:1]
C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccco3)ccc2N1 c1coc(c1)[*:1] C[C@@H]1Cc2cc(ccc2N1)S(=O)(=O)NC[*:1]
C[C@H](COc1ccc(F)cc1)NC(=O)c1[nH]nc(C2CC2)c1Cl Fc1ccc(cc1)[*:1] C[C@H](CO[*:1])NC(=O)c1[nH]nc(c1Cl)C1CC1
C[C@H](COc1ccc(F)cc1)NC(=O)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] C[C@H](COc1ccc(F)cc1)NC(=O)c1[nH]nc(c1Cl)[*:1]
CCc1nsc(NC2CN(C(=O)OC(C)(C)C)C2)n1 CC(C)(C)[*:1] CCc1nsc(n1)NC1CN(C1)C(=O)O[*:1]
CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 CC[C@@H](C)[*:1] C[C@H]([NH2+]C[C@@](C)(O)[*:1])c1ccc(cc1)S(N)(=O)=O
CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(cc1)[*:1]
Cc1cccc(CC(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2C[NH+](C)C)c1 Cc1cccc(c1)C[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C
Cc1cccc(CC(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2C[NH+](C)C)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)C[*:1])C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C
CCOCC[NH+](C)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S CCOC[*:1] Cn1c(nn(C[NH+](C)C[*:1])c1=S)-c1ccc(Cl)cc1
CCOCC[NH+](C)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S CCOCC[*:1] Cn1c(nn(C[NH+](C)[*:1])c1=S)-c1ccc(Cl)cc1
CCOCC[NH+](C)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S Clc1ccc(cc1)[*:1] CCOCC[NH+](C)Cn1nc(n(C)c1=S)[*:1]
CCOCC[NH+](C)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S CCO[*:1] Cn1c(nn(C[NH+](C)CC[*:1])c1=S)-c1ccc(Cl)cc1
C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1Cc1cn(C)nc1-c1ccncc1 c1cc(ccn1)[*:1] C[C@H]1[C@@H](OC[C@@H](C)N1Cc1cn(C)nc1[*:1])c1ccccc1
C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1Cc1cn(C)nc1-c1ccncc1 c1ccc(cc1)[*:1] C[C@H]1[C@H](OC[C@@H](C)N1Cc1cn(C)nc1-c1ccncc1)[*:1]
Cc1c(Cl)cccc1NC(=O)c1ncccc1OCC(F)(F)F FC(F)(F)[*:1] Cc1c(Cl)cccc1NC(=O)c1ncccc1OC[*:1]
Cc1c(Cl)cccc1NC(=O)c1ncccc1OCC(F)(F)F FC(F)(F)C[*:1] Cc1c(Cl)cccc1NC(=O)c1ncccc1O[*:1]
Cc1c(Cl)cccc1NC(=O)c1ncccc1OCC(F)(F)F FC(F)(F)CO[*:1] Cc1c(Cl)cccc1NC(=O)c1ncccc1[*:1]
CCCN(CC#N)C[C@H]1C[C@@H]1c1ccccc1 N#CC[*:1] CCCN(C[C@H]1C[C@@H]1c1ccccc1)[*:1]
CCCN(CC#N)C[C@H]1C[C@@H]1c1ccccc1 CCC[*:1] N#CCN(C[C@H]1C[C@@H]1c1ccccc1)[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC Cc1cccc(c1)C(=O)O[*:1] COc1ccc(cc1OC)[C@@H]1C(C#N)=C(N)Oc2cc(ccc21)[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC Cc1cccc(c1)[*:1] COc1ccc(cc1OC)[C@@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC COc1ccc(cc1OC)[*:1] Cc1cccc(c1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2[*:1]
O=C(NC1CC=CC1)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] O=C(NC1CC=CC1)c1cnc(s1)[*:1]
O=C(c1ccc(-n2cccc2)c(F)c1)N1CCC(O)(C(F)(F)F)CC1 c1ccn(c1)[*:1] O=C(c1ccc(c(F)c1)[*:1])N1CCC(O)(CC1)C(F)(F)F
O=C(c1ccc(-n2cccc2)c(F)c1)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccc(c(F)c1)-n1cccc1)N1CCC(O)(CC1)[*:1]
Cn1cc(CC(=O)NCc2cccc(C(F)(F)F)c2)c2cccnc21 FC(F)(F)[*:1] Cn1cc(CC(=O)NCc2cccc(c2)[*:1])c2cccnc21
CCN(CC)C(=O)N1CCC(C(=O)Oc2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] CCN(CC)C(=O)N1CCC(CC1)C(=O)O[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3nc4ccccc4s3)cc2)C1 C[C@@H]1CCCN(C1)S(=O)(=O)[*:1] CN(Cc1nc2ccccc2s1)C(=O)c1ccc(cc1)[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3nc4ccccc4s3)cc2)C1 c1ccc2sc(C[*:1])nc2c1 C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N(C)[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3nc4ccccc4s3)cc2)C1 c1ccc2sc(nc2c1)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N(C)C[*:1]
CCC1(CNC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 CCC1(CC1)C[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)N[*:1]
CCC1(CNC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 CN(C)S(=O)(=O)[*:1] CCC1(CC1)CNC(=O)Nc1cccc(c1)[*:1]
CCC1(CNC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 CCC1(CC1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)NC[*:1]
C[C@H]([NH3+])c1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H]([NH3+])c1ccc(cc1)NC(=O)[*:1]
COC(=O)[C@H]1CCCN1C(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 COC(=O)[C@H]1CCCN1C(=O)[*:1] C[C@]12CC[C@@H]3[C@@H](CCC4=C/C(CC[C@@]43C)=N\OC[*:1])[C@@H]1CC[C@@H]2O
COC(=O)[C@H]1CCCN1C(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 COC(=O)[*:1] C[C@]12CC[C@@H]3[C@@H](CCC4=C/C(CC[C@@]43C)=N\OCC(=O)N3CCC[C@@H]3[*:1])[C@@H]1CC[C@@H]2O
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCc1ccc2c(c1)OCCO2 Cc1n[nH]c(C)c1[*:1] O=C(NCc1ccc2OCCOc2c1)N1CCC[C@H]1[*:1]
COc1ccc(N2C[C@@H](C(=O)N3CCc4nc(NC(C)=O)sc4C3)CC2=O)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1nc2CCN(Cc2s1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@@H](C(=O)N3CCc4nc(NC(C)=O)sc4C3)CC2=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCc2nc(sc2C1)[*:1]
COc1ccc(N2/C(=N/C(=O)c3ccc(Br)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 COc1ccc(cc1)[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1])c1ccc(Br)cc1
COc1ccc(N2/C(=N/C(=O)c3ccc(Br)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
Cc1ccc(C)c(OCCCOn2nnc3ccc(S(C)(=O)=O)cc32)c1 Cc1ccc(C)c(c1)[*:1] CS(=O)(=O)c1ccc2nnn(OCCCO[*:1])c2c1
Cc1ccc(C)c(OCCCOn2nnc3ccc(S(C)(=O)=O)cc32)c1 CS(=O)(=O)[*:1] Cc1ccc(C)c(c1)OCCCOn1nnc2ccc(cc21)[*:1]
C[NH+](CC(=O)NC(=O)c1ccccc1)CC1CC[NH2+]CC1 c1ccc(cc1)[*:1] C[NH+](CC(=O)NC(=O)[*:1])CC1CC[NH2+]CC1
CCCc1cc(NC(=O)N[C@H](C)c2ncc(C)s2)n(C)n1 Cc1cnc(s1)[*:1] CCCc1cc(NC(=O)N[C@H](C)[*:1])n(C)n1
CCCc1cc(NC(=O)N[C@H](C)c2ncc(C)s2)n(C)n1 CCC[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)Nc1cc(nn1C)[*:1]
Cc1cc(C)n2c(SCc3nnc(-c4ccc(Cl)cc4)o3)nnc2n1 Clc1ccc(cc1)[*:1] Cc1cc(C)n2c(nnc2n1)SCc1nnc(o1)[*:1]
O=C(CNC(=O)N1CC(O)=Nc2ccccc21)N[C@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] O=C(CNC(=O)N1CC(O)=Nc2ccccc21)N[C@H](c1ccccc1)[*:1]
O=C(CNC(=O)N1CC(O)=Nc2ccccc21)N[C@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)N1CC(O)=Nc2ccccc21)N[C@H](C(=O)[O-])[*:1]
O=C(NC1CCOCC1)c1ccc(NCC#Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] O=C(NC1CCOCC1)c1ccc(cc1)NCC#C[*:1]
O=C(NC1CCOCC1)c1ccc(NCC#Cc2ccc(Cl)cc2)cc1 C1CC(CCO1)[*:1] O=C(N[*:1])c1ccc(cc1)NCC#Cc1ccc(Cl)cc1
C[C@@H](SCCC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@@H](SCCC(=O)[O-])C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](SCCC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1 O=C([O-])[*:1] C[C@@H](SCC[*:1])C(=O)Nc1ccc(cc1)C(N)=O
C[C@@H](SCCC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1 O=C([O-])C[*:1] C[C@@H](SC[*:1])C(=O)Nc1ccc(cc1)C(N)=O
C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1cc(C(N)=O)ccc1Cl NC(=O)[*:1] C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1cc(ccc1Cl)[*:1]
C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(CC1)[*:1]
Cc1c(O[C@@H](C)[C@H](C)O)cccc1[N+](=O)[O-] C[C@H](O)[*:1] Cc1c(cccc1[N+](=O)[O-])O[C@@H](C)[*:1]
Cc1c(O[C@@H](C)[C@H](C)O)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])O[C@@H](C)[C@H](C)O
C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)O[*:1]
C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C
C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C
C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)[*:1]
Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NCc2cccnc2)CC[C@]3(C)C1(C)C c1cncc(c1)[*:1] Cc1cc2nc3c(nc2cc1C)[C@]1(CC[C@]3(C)C1(C)C)C(=O)NC[*:1]
Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NCc2cccnc2)CC[C@]3(C)C1(C)C c1cncc(c1)C[*:1] Cc1cc2nc3c(nc2cc1C)[C@]1(CC[C@]3(C)C1(C)C)C(=O)N[*:1]
Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NCc2cccnc2)CC[C@]3(C)C1(C)C O=C(NCc1cccnc1)[*:1] Cc1cc2nc3c(nc2cc1C)[C@]1(CC[C@]3(C)C1(C)C)[*:1]
CC(C)CO[C@@H]1CCN(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)C1 CC(C)CO[*:1] C[C@H](CNC(=O)N1CC[C@H](C1)[*:1])c1nc(no1)-c1ccccc1
CC(C)CO[C@@H]1CCN(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)C1 CC(C)C[*:1] C[C@H](CNC(=O)N1CC[C@H](C1)O[*:1])c1nc(no1)-c1ccccc1
CC(C)CO[C@@H]1CCN(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)C1 c1ccc(cc1)[*:1] CC(C)CO[C@@H]1CCN(C1)C(=O)NC[C@@H](C)c1nc(no1)[*:1]
CC(C)CO[C@@H]1CCN(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)C1 CC(C)[*:1] C[C@H](CNC(=O)N1CC[C@H](C1)OC[*:1])c1nc(no1)-c1ccccc1
CC(C)OCC(=O)[C@@H]1CCC[C@@H](C)C1 CC(C)[*:1] C[C@@H]1CCC[C@H](C1)C(=O)CO[*:1]
CC(C)OCC(=O)[C@@H]1CCC[C@@H](C)C1 CC(C)O[*:1] C[C@@H]1CCC[C@H](C1)C(=O)C[*:1]
CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cc1 CNC(=O)[*:1] C[C@@H]1CN([C@H](C)CO1)S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 CCO[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)[NH2+]Cc1cccc(c1)[*:1]
CCOc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] CCOc1cccc(c1)C[NH2+]C1CC[NH+](CC1)[*:1]
CCOc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)C[NH2+]C1CC[NH+](CC1)C[*:1]
C[C@@H](Sc1nncn1C1CC1)C(=O)Nc1cc(Cl)ccc1F C1CC1[*:1] C[C@@H](Sc1nncn1[*:1])C(=O)Nc1cc(Cl)ccc1F
CC(C)n1c(=O)oc2cc(NC(=O)Nc3ccc(F)cc3)ccc21 CC(C)[*:1] O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)oc(=O)n2[*:1]
CC(C)n1c(=O)oc2cc(NC(=O)Nc3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CC(C)n1c(=O)oc2cc(ccc21)NC(=O)N[*:1]
CC(C)c1cc(C(=O)N2CCCCCC2)no1 CC(C)[*:1] O=C(c1cc(on1)[*:1])N1CCCCCC1
O=C(CSc1nnnn1C1CC1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C(CSc1nnnn1C1CC1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CSc1nnnn1C1CC1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 C1CC1n1nnnc1S[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
O=C(CSc1nnnn1C1CC1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 C1CC1[*:1] O=C(CSc1nnnn1[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
O=C(CSc1nnnn1C1CC1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 C1CC1n1nnnc1SC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
O=C(CSc1nnnn1C1CC1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 C1CC1n1nnnc1[*:1] O=C(CS[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
O=C(CSc1nnnn1C1CC1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(CSc1nnnn1C1CC1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)[*:1]
CCc1ccc([C@H](CO)NC(=O)CCc2cn(C)c3ccccc23)cc1 CCc1ccc(cc1)[*:1] Cn1cc(CCC(=O)N[C@@H](CO)[*:1])c2ccccc21
COc1ccccc1N/C(=N/C(=O)c1ccc2c(c1)OCO2)NCc1cccnc1 c1cncc(c1)C[*:1] COc1ccccc1N/C(=N/C(=O)c1ccc2OCOc2c1)N[*:1]
COc1ccccc1N/C(=N/C(=O)c1ccc2c(c1)OCO2)NCc1cccnc1 COc1ccccc1[*:1] O=C(/N=C(\NCc1cccnc1)N[*:1])c1ccc2OCOc2c1
COc1ccccc1N/C(=N/C(=O)c1ccc2c(c1)OCO2)NCc1cccnc1 c1cncc(c1)[*:1] COc1ccccc1N/C(=N/C(=O)c1ccc2OCOc2c1)NC[*:1]
COc1ccccc1N/C(=N/C(=O)c1ccc2c(c1)OCO2)NCc1cccnc1 c1cc2OCOc2cc1[*:1] COc1ccccc1N/C(=N/C(=O)[*:1])NCc1cccnc1
CCCn1nnnc1CN(C)c1cc(C(C)C)[nH+][nH]1 CCC[*:1] CC(C)c1cc([nH][nH+]1)N(C)Cc1nnnn1[*:1]
CCCn1nnnc1CN(C)c1cc(C(C)C)[nH+][nH]1 CC(C)[*:1] CCCn1nnnc1CN(C)c1cc([nH+][nH]1)[*:1]
CC(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1cccc(c1)[*:1]
CC(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 CC(C)[*:1] O=C(CCc1cccc(c1)[N+](=O)[O-])NC[C@@H]1CCO[C@H]1[*:1]
CC[NH+](CC)CCN(C(=O)c1ccc(F)cc1)c1nc2cc3c(cc2s1)OCCO3 Fc1ccc(cc1)[*:1] CC[NH+](CC)CCN(C(=O)[*:1])c1nc2cc3OCCOc3cc2s1
COc1ccc(NC(=O)c2ccncc2Cl)cc1-n1nnnc1C Clc1cnccc1[*:1] COc1ccc(cc1-n1nnnc1C)NC(=O)[*:1]
COc1ccc(NC(=O)c2ccncc2Cl)cc1-n1nnnc1C Cc1nnnn1[*:1] COc1ccc(cc1[*:1])NC(=O)c1ccncc1Cl
CC(C)CCCNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 CC(C)C[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)NCC[*:1])C[C@@H](C)O1
CC(C)CCCNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 CC(C)CCC[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)N[*:1])C[C@@H](C)O1
CC(C)CCCNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 CC(C)[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)NCCC[*:1])C[C@@H](C)O1
CC(C)CCCNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 CC(C)CC[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)NC[*:1])C[C@@H](C)O1
O=c1c2ncccc2n(CCc2ccccc2)c(=O)n1Cc1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] O=c1c2ncccc2n(C[*:1])c(=O)n1Cc1ccc2OCOc2c1
O=c1c2ncccc2n(CCc2ccccc2)c(=O)n1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=c1c2ncccc2n(CCc2ccccc2)c(=O)n1C[*:1]
O=c1c2ncccc2n(CCc2ccccc2)c(=O)n1Cc1ccc2c(c1)OCO2 c1ccc(cc1)CC[*:1] O=c1c2ncccc2n(c(=O)n1Cc1ccc2OCOc2c1)[*:1]
O=c1c2ncccc2n(CCc2ccccc2)c(=O)n1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=c1c2ncccc2n(CCc2ccccc2)c(=O)n1[*:1]
O=c1c2ncccc2n(CCc2ccccc2)c(=O)n1Cc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=c1c2ncccc2n(CC[*:1])c(=O)n1Cc1ccc2OCOc2c1
CCOC(=O)[C@H](CC)c1nc(C2CCCC2)no1 CCOC(=O)[*:1] CC[C@H](c1nc(no1)C1CCCC1)[*:1]
CCOC(=O)[C@H](CC)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] CCOC(=O)[C@H](CC)c1nc(no1)[*:1]
C#CCNC(=O)/C=N/OCc1ccccc1 C#CC[*:1] O=C(/C=N/OCc1ccccc1)N[*:1]
COc1cccc(CN(C)S(=O)(=O)N[C@H](C)c2ccccc2C)c1 Cc1ccccc1[*:1] COc1cccc(c1)CN(C)S(=O)(=O)N[C@H](C)[*:1]
COc1cccc(CN(C)S(=O)(=O)N[C@H](C)c2ccccc2C)c1 COc1cccc(c1)[*:1] Cc1ccccc1[C@@H](C)NS(=O)(=O)N(C)C[*:1]
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3OC)sc2c1 O=C(c1ccco1)[*:1] CCc1ccc2nc(sc2c1)N1C(=O)C([O-])=C([C@@H]1c1ccccc1OC)[*:1]
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3OC)sc2c1 c1coc(c1)[*:1] CCc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccc1OC
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3OC)sc2c1 CCc1ccc2nc(sc2c1)[*:1] COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C([O-])C(=O)N1[*:1]
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccccc3OC)sc2c1 COc1ccccc1[*:1] CCc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2ccco2)[C@H]1[*:1]
Cc1cc(C)c(/C=N/NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1 O=C([O-])[*:1] Cc1cc(C)c(/C=N/NC(=O)C(=O)Nc2ccc(cc2)[*:1])c(C)c1
CCCC1CN(c2cc(C(=O)[O-])ccc2F)C1 CCC[*:1] O=C([O-])c1ccc(F)c(c1)N1CC(C1)[*:1]
CCCC1CN(c2cc(C(=O)[O-])ccc2F)C1 O=C([O-])[*:1] CCCC1CN(C1)c1cc(ccc1F)[*:1]
CCc1cccc2c1NC(=O)[C@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCOC)C(=O)[C@H]21 COC[*:1] CCc1cccc2c1NC(=O)[C@]21N[C@H]([C@H]2C(=O)N(C[*:1])C(=O)[C@H]21)[C@@H](C)O
CCc1cccc2c1NC(=O)[C@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCOC)C(=O)[C@H]21 C[C@@H](O)[*:1] CCc1cccc2c1NC(=O)[C@]21N[C@@H]([C@H]2C(=O)N(CCOC)C(=O)[C@H]21)[*:1]
CCc1cccc2c1NC(=O)[C@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCOC)C(=O)[C@H]21 COCC[*:1] CCc1cccc2c1NC(=O)[C@]21N[C@H]([C@H]2C(=O)N(C(=O)[C@H]21)[*:1])[C@@H](C)O
C[C@@H](NC(=O)N[C@@H]1CCOC1)c1nc2ccccc2[nH]1 C1C[C@H](CO1)[*:1] C[C@@H](NC(=O)N[*:1])c1nc2ccccc2[nH]1
CCC1(c2nnc(C[NH2+]C3CC3)s2)CCCC1 C1CC1[*:1] CCC1(CCCC1)c1nnc(C[NH2+][*:1])s1
O=C(Nc1ccc(Br)cn1)[C@H]1CCCN1C(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(Br)cn1)[C@H]1CCCN1C(=O)[*:1]
O=C(Nc1ccc(Br)cn1)[C@H]1CCCN1C(=O)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cn1)[C@H]1CCCN1C(=O)C[*:1]
O=C(Nc1ccc(Br)cn1)[C@H]1CCCN1C(=O)Cc1ccccc1 Brc1ccc(nc1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)Cc1ccccc1
CCN(CC(N)=[NH2+])C(=O)N1CCC[C@H](C)C1 NC(=[NH2+])C[*:1] CCN(C(=O)N1CCC[C@H](C)C1)[*:1]
CCc1ccc([C@H](COC)NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)o1 COC[*:1] CCc1ccc(o1)[C@H](NC(=O)N1CC[C@H](C1)[NH+]1CCCC1)[*:1]
CCc1ccc([C@H](COC)NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)o1 CCc1ccc(o1)[*:1] COC[C@H](NC(=O)N1CC[C@H](C1)[NH+]1CCCC1)[*:1]
COC(=O)[C@H](C)CN(C)C(=O)[C@@H](C)Cc1c(C)n[nH]c1C COC(=O)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)N(C)C[C@@H](C)[*:1]
COC(=O)[C@H](C)CN(C)C(=O)[C@@H](C)Cc1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] COC(=O)[C@H](C)CN(C)C(=O)[C@@H](C)C[*:1]
COC(=O)[C@H](C)CN(C)C(=O)[C@@H](C)Cc1c(C)n[nH]c1C COC(=O)[C@H](C)C[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)N(C)[*:1]
COC(=O)[C@H](C)CN(C)C(=O)[C@@H](C)Cc1c(C)n[nH]c1C COC(=O)[C@H](C)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)N(C)C[*:1]
CN(C(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cn1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccc(cc1)O[*:1])c1ccc(Cl)cn1
CN(C(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cn1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)OC[*:1])c1ccc(Cl)cn1
CN(C(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cn1 c1ccc(cc1)CO[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1ccc(Cl)cn1
CN(C(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] CN(C(=O)c1ccc(cc1)OCc1ccccc1)[*:1]
CC[NH+](CCO)Cc1cn[nH]c1-c1ccc(Cl)cc1Cl OCC[*:1] CC[NH+](Cc1cn[nH]c1-c1ccc(Cl)cc1Cl)[*:1]
Cc1cc(C(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)c(C)n1C Cc1cc(c(C)n1C)[*:1] CC(C)c1ccc(cc1)-c1nnn(CC(=O)[*:1])n1
Cc1cc(C(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)c(C)n1C CC(C)[*:1] Cc1cc(C(=O)Cn2nnc(n2)-c2ccc(cc2)[*:1])c(C)n1C
Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H]3Cc4cc(-c5ncccc5C)ccc4O3)cc2)n1 Cc1cc(C)n(n1)[*:1] Cc1cccnc1-c1ccc2O[C@H](CNC(=O)c3ccc(cc3)C[*:1])Cc2c1
Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H]3Cc4cc(-c5ncccc5C)ccc4O3)cc2)n1 Cc1cc(C)n(C[*:1])n1 Cc1cccnc1-c1ccc2O[C@H](CNC(=O)c3ccc(cc3)[*:1])Cc2c1
Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H]3Cc4cc(-c5ncccc5C)ccc4O3)cc2)n1 Cc1cccnc1[*:1] Cc1cc(C)n(Cc2ccc(cc2)C(=O)NC[C@@H]2Cc3cc(ccc3O2)[*:1])n1
CCc1ccc([C@H](C)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1 CCc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1cccc(c1)NC(=O)c1ccoc1)[*:1]
CCc1ccc([C@H](C)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1 O=C(N[*:1])c1ccoc1 CCc1ccc(cc1)[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CCc1ccc([C@H](C)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1 c1cc(co1)[*:1] CCc1ccc(cc1)[C@H](C)C(=O)Nc1cccc(c1)NC(=O)[*:1]
CCCOc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1OC N#Cc1cccc(c1)[*:1] CCCOc1ccc(/C=C/C(=O)[*:1])cc1OC
CCCOc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1OC CCC[*:1] COc1cc(/C=C/C(=O)c2cccc(C#N)c2)ccc1O[*:1]
CCCOc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1OC CCCO[*:1] COc1cc(/C=C/C(=O)c2cccc(C#N)c2)ccc1[*:1]
O=C(Nc1ncn[nH]1)c1nn(-c2ccc(F)cc2)cc1[O-] c1n[nH]c(n1)[*:1] O=C(N[*:1])c1nn(cc1[O-])-c1ccc(F)cc1
O=C(Nc1ncn[nH]1)c1nn(-c2ccc(F)cc2)cc1[O-] Fc1ccc(cc1)[*:1] O=C(Nc1ncn[nH]1)c1nn(cc1[O-])[*:1]
C[C@@H]1CCc2ccccc2N1CC(=O)c1cccn1C Cn1cccc1[*:1] C[C@@H]1CCc2ccccc2N1CC(=O)[*:1]
CCOc1ccc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)cn1 CCO[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)c1ccc(nc1)[*:1]
CC[C@@H](c1ccccc1)[S@](=O)CC(=O)Nc1cccc(C#N)c1 c1ccc(cc1)[*:1] CC[C@@H]([S@](=O)CC(=O)Nc1cccc(C#N)c1)[*:1]
Cc1ccc(C(=O)/C=C/c2ccc(C)c(C)c2)o1 Cc1ccc(o1)[*:1] Cc1ccc(/C=C/C(=O)[*:1])cc1C
CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1cccnc1Cl Fc1ccc(cc1)[*:1] CC(C)CN(C[C@H](O)[*:1])C(=O)Nc1cccnc1Cl
CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1cccnc1Cl CC(C)[*:1] O=C(Nc1cccnc1Cl)N(C[C@H](O)c1ccc(F)cc1)C[*:1]
CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1cccnc1Cl CC(C)C[*:1] O=C(Nc1cccnc1Cl)N(C[C@H](O)c1ccc(F)cc1)[*:1]
CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)N[*:1]
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2cc(C)on2)[C@H]1[*:1]
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1 CCOc1ccc(cc1)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccc(Cl)c1
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1 CCO[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2)[*:1])[C@H]1c1cccc(Cl)c1
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1 Cc1cc(no1)[*:1] CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccc(Cl)c1)[*:1]
O=C(c1cnc2n(c1=O)CCS2)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 C1CCC(CC1)[*:1] O=C(c1cnc2SCCn2c1=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)COc1ccccc1C(=O)NC(=S)Nc1cccc(Cl)c1 CC(C)[*:1] O=C(NC(=S)Nc1cccc(Cl)c1)c1ccccc1OC[*:1]
CC(C)COc1ccccc1C(=O)NC(=S)Nc1cccc(Cl)c1 CC(C)CO[*:1] O=C(NC(=S)Nc1cccc(Cl)c1)c1ccccc1[*:1]
CC(C)COc1ccccc1C(=O)NC(=S)Nc1cccc(Cl)c1 CC(C)C[*:1] O=C(NC(=S)Nc1cccc(Cl)c1)c1ccccc1O[*:1]
CC(C)COc1ccccc1C(=O)NC(=S)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)COc1ccccc1C(=O)NC(=S)N[*:1]
Cc1cccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])c1ccccc1[N+](=O)[O-]
Cc1cccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)-c1nc2cc(ccc2o1)NC(=O)c1ccccc1[*:1]
Cc1cccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)c1 O=[N+]([O-])c1ccccc1[*:1] Cc1cccc(c1)-c1nc2cc(ccc2o1)NC(=O)[*:1]
Cc1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1CN(C(=O)[*:1])c2ccccc2O1)N1CCOCC1
Cc1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)C(=O)N1C[C@@H](Oc2ccccc21)[*:1]
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)N1CCCC1 c1cc(ccn1)[*:1] O=C(CSc1nnc(n1-c1ccc(F)cc1)[*:1])N1CCCC1
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])N1CCCC1
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)N1CCCC1 O=C(N1CCCC1)[*:1] Fc1ccc(cc1)-n1c(nnc1-c1ccncc1)SC[*:1]
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)N1CCCC1 O=C(CS[*:1])N1CCCC1 Fc1ccc(cc1)-n1c(nnc1[*:1])-c1ccncc1
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)N1CCCC1 O=C(C[*:1])N1CCCC1 Fc1ccc(cc1)-n1c(nnc1-c1ccncc1)S[*:1]
CN(Cc1nccs1)C(=O)NCc1cc2ccccc2o1 c1csc(n1)[*:1] CN(C[*:1])C(=O)NCc1cc2ccccc2o1
CN(Cc1nccs1)C(=O)NCc1cc2ccccc2o1 c1csc(C[*:1])n1 CN(C(=O)NCc1cc2ccccc2o1)[*:1]
COCCN1C[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1=O COC[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(C1)C[*:1])c1ccc(C#N)cc1
COCCN1C[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1=O COCC[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccc(C#N)cc1
CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)c1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN=C1SC[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(C(F)(F)F)c2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=S(=O)(N1CCN=C1SCc1cccc(c1)C(F)(F)F)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN=C1SCc1cccc(c1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(C(F)(F)F)c2)cc1 CC(=O)N[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN=C1SCc1cccc(c1)C(F)(F)F
C=C(SCC)/C(=N/C)SC CCS[*:1] C=C(/C(=N/C)SC)[*:1]
CCC[C@H](C)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 CCC[C@H](C)[*:1] CN(Cc1nc(cs1)C(F)(F)F)C(=O)[*:1]
CCC[C@H](C)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CCC[C@H](C)C(=O)N(C)Cc1nc(cs1)[*:1]
CCC[C@H](C)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 CCC[*:1] C[C@H](C(=O)N(C)Cc1nc(cs1)C(F)(F)F)[*:1]
C[C@H](NC(=O)Cn1ccnc1)c1ccc(-c2ccccc2)cc1 c1cn(cn1)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccccc1
C[C@H](NC(=O)Cn1ccnc1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cn1ccnc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)Cn1ccnc1)c1ccc(-c2ccccc2)cc1 c1cn(cn1)C[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-c1ccccc1
Cc1ccc(NC(=O)C[NH+](C)Cc2ccc(Cl)nc2)c(C)c1 Clc1ccc(cn1)[*:1] Cc1ccc(NC(=O)C[NH+](C)C[*:1])c(C)c1
O=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc(c1)[*:1]
O=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 Fc1ccc(cc1F)[*:1] O=S(=O)(NCc1nnnn1[*:1])c1cccc(c1)C(F)(F)F
O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cnc(s1)[*:1]
O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cnc(C[*:1])s1
CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)Oc1ccccc1F Fc1ccccc1[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)NC[C@@H](C)O[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)Oc1ccccc1F Fc1ccccc1O[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)NC[C@@H](C)[*:1]
COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)COc2ccc(C=O)cc2)cc1 COc1ccc(cc1)[*:1] O=Cc1ccc(cc1)OCC(=O)N1N=C(C[C@H]1[*:1])c1ccc(F)cc1
COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)COc2ccc(C=O)cc2)cc1 O=Cc1ccc(cc1)OC[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)[*:1])c1ccc(F)cc1
COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)COc2ccc(C=O)cc2)cc1 O=Cc1ccc(cc1)O[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)C[*:1])c1ccc(F)cc1
COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)COc2ccc(C=O)cc2)cc1 O=Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)CO[*:1])c1ccc(F)cc1
COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)COc2ccc(C=O)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)COc1ccc(C=O)cc1)[*:1]
NC(=O)[C@H]1CCCCN1S(=O)(=O)NCc1ccccc1 NC(=O)[*:1] O=S(=O)(NCc1ccccc1)N1CCCC[C@@H]1[*:1]
NC(=O)[C@H]1CCCCN1S(=O)(=O)NCc1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CCCCN1S(=O)(=O)NC[*:1]
Cc1cc(C)c(C#N)c(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1 CC(C)(C)[*:1] Cc1cc(C)c(C#N)c(n1)N1CCC[C@H](CNC(=O)O[*:1])C1
Cc1cc(C)c(C#N)c(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1 CC(C)(C)OC(=O)N[*:1] Cc1cc(C)c(C#N)c(n1)N1CCC[C@@H](C1)C[*:1]
COc1ccc(NC(=O)c2c(/N=C/c3cccs3)sc3c2CCC3)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1c(/N=C/c2cccs2)sc2CCCc21
COc1ccc(NC(=O)c2c(/N=C/c3cccs3)sc3c2CCC3)cc1 C(=N[*:1])c1cccs1 COc1ccc(cc1)NC(=O)c1c(sc2CCCc21)[*:1]
COc1ccc(NC(=O)c2c(/N=C/c3cccs3)sc3c2CCC3)cc1 c1csc(c1)[*:1] COc1ccc(cc1)NC(=O)c1c(N=C[*:1])sc2CCCc21
CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)nn1 COc1ccc(Cl)cc1[*:1] CCS(=O)(=O)c1ccc(nn1)-c1cccc(c1)NC(=O)[*:1]
CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)nn1 CCS(=O)(=O)[*:1] COc1ccc(Cl)cc1C(=O)Nc1cccc(c1)-c1ccc(nn1)[*:1]
CC(C)(O)CCN1C(=O)NC(C2CC2)(C2CC2)C1=O CC(C)(O)C[*:1] O=C1NC(C(=O)N1C[*:1])(C1CC1)C1CC1
CC(C)(O)CCN1C(=O)NC(C2CC2)(C2CC2)C1=O CC(C)(O)[*:1] O=C1NC(C(=O)N1CC[*:1])(C1CC1)C1CC1
CC(C)(O)CCN1C(=O)NC(C2CC2)(C2CC2)C1=O CC(C)(O)CC[*:1] O=C1NC(C(=O)N1[*:1])(C1CC1)C1CC1
CC(C)(O)CCN1C(=O)NC(C2CC2)(C2CC2)C1=O C1CC1[*:1] CC(C)(O)CCN1C(=O)NC(C1=O)(C1CC1)[*:1]
CCc1ccc(C(C)(C)CNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 CCc1ccc(cc1)[*:1] CC(C)(CNC(=O)N[C@H]1CCC[C@H](C1)S(C)(=O)=O)[*:1]
CCc1ccc(C(C)(C)CNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 CS(=O)(=O)[*:1] CCc1ccc(cc1)C(C)(C)CNC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(c3ccccc3[nH]c2=O)O1 O=[N+]([O-])[*:1] O=C1C[C@@H](c2cccc(c2)[*:1])c2c(O1)c1ccccc1[nH]c2=O
COC(=O)[C@H]1CN(C(=O)c2cccn2C2CC2)C[C@@H]1C C1CC1[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)C(=O)c1cccn1[*:1]
COC(=O)[C@H]1CN(C(=O)c2cccn2C2CC2)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@@H]1[*:1])C(=O)c1cccn1C1CC1
CC(C)=C[C@@H]1[C@H](C(=O)OCc2nc(C(C)(C)C)no2)C1(C)C CC(C)(C)[*:1] CC(C)=C[C@@H]1[C@H](C(=O)OCc2nc(no2)[*:1])C1(C)C
CC(C)=C[C@@H]1[C@H](C(=O)OCc2nc(C(C)(C)C)no2)C1(C)C CC(C)=C[*:1] CC(C)(C)c1noc(COC(=O)[C@H]2[C@H](C2(C)C)[*:1])n1
Cn1ccc2ccc(NC(=O)C(=O)NC[C@@](C)(O)c3ccco3)cc21 c1coc(c1)[*:1] Cn1ccc2ccc(cc21)NC(=O)C(=O)NC[C@@](C)(O)[*:1]
Cc1c(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cnn1C(C)C FC(F)(F)[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@@H]1CCN(C1)C[*:1]
Cc1c(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cnn1C(C)C FC(F)(F)C[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@@H]1CCN(C1)[*:1]
Cc1c(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H]1CCN(C1)CC(F)(F)F
C[C@@H]([NH3+])CCc1[nH]c(-c2ccoc2)c[nH+]1 c1cc(co1)[*:1] C[C@@H]([NH3+])CCc1[nH]c(c[nH+]1)[*:1]
C=C(C)C[C@H]([NH3+])CS[C@@H](C)CC C=C(C)C[*:1] CC[C@H](C)SC[C@@H]([NH3+])[*:1]
C=C(C)C[C@H]([NH3+])CS[C@@H](C)CC CC[C@H](C)[*:1] C=C(C)C[C@H]([NH3+])CS[*:1]
C=C(C)C[C@H]([NH3+])CS[C@@H](C)CC C=C(C)[*:1] CC[C@H](C)SC[C@@H]([NH3+])C[*:1]
Cc1cccc(C)c1OCC(=O)NCCc1c[nH]c2ccccc12 Cc1cccc(C)c1[*:1] O=C(CO[*:1])NCCc1c[nH]c2ccccc12
CCN(CC)c1nc(NCCc2cccs2)[nH+]c2ccccc12 CCN(CC)[*:1] c1csc(c1)CCNc1nc(c2ccccc2[nH+]1)[*:1]
CCN(CC)c1nc(NCCc2cccs2)[nH+]c2ccccc12 c1csc(c1)[*:1] CCN(CC)c1nc(NCC[*:1])[nH+]c2ccccc12
CCN(CC)c1nc(NCCc2cccs2)[nH+]c2ccccc12 c1csc(c1)C[*:1] CCN(CC)c1nc(NC[*:1])[nH+]c2ccccc12
CCN(CC)c1nc(NCCc2cccs2)[nH+]c2ccccc12 c1csc(c1)CC[*:1] CCN(CC)c1nc(N[*:1])[nH+]c2ccccc12
CCCOC[C@H]([NH2+]CC)[C@H]1CCOc2ccccc21 CCCO[*:1] CC[NH2+][C@@H](C[*:1])[C@H]1CCOc2ccccc21
CCCOC[C@H]([NH2+]CC)[C@H]1CCOc2ccccc21 CCC[*:1] CC[NH2+][C@@H](CO[*:1])[C@H]1CCOc2ccccc21
CCCOC[C@H]([NH2+]CC)[C@H]1CCOc2ccccc21 CCCOC[*:1] CC[NH2+][C@H]([C@H]1CCOc2ccccc21)[*:1]
CC(C)(C)c1csc(CNC(=O)N[C@@H]2CCc3c(O)cccc32)n1 CC(C)(C)[*:1] O=C(NCc1nc(cs1)[*:1])N[C@@H]1CCc2c(O)cccc21
C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1(N2CCOCC2)CCCC1 O=[N+]([O-])c1ccccc1[*:1] C[C@H](NC(=O)CN[*:1])C1(CCCC1)N1CCOCC1
C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1(CCCC1)[*:1]
C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1(N2CCOCC2)CCCC1 O=[N+]([O-])[*:1] C[C@H](NC(=O)CNc1ccccc1[*:1])C1(CCCC1)N1CCOCC1
Cc1cccc([C@@H]2CC[C@@H](C(=O)NC3CC3)CN2C(=O)Cc2ccccc2)c1 C1CC1[*:1] Cc1cccc(c1)[C@@H]1CC[C@H](CN1C(=O)Cc1ccccc1)C(=O)N[*:1]
Cc1cccc([C@@H]2CC[C@@H](C(=O)NC3CC3)CN2C(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)[C@@H]1CC[C@H](CN1C(=O)C[*:1])C(=O)NC1CC1
Cc1cccc([C@@H]2CC[C@@H](C(=O)NC3CC3)CN2C(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)[C@@H]1CC[C@H](CN1C(=O)[*:1])C(=O)NC1CC1
Cc1cccc([C@@H]2CC[C@@H](C(=O)NC3CC3)CN2C(=O)Cc2ccccc2)c1 O=C(NC1CC1)[*:1] Cc1cccc(c1)[C@@H]1CC[C@@H](CN1C(=O)Cc1ccccc1)[*:1]
Cc1cccc([C@@H]2CC[C@@H](C(=O)NC3CC3)CN2C(=O)Cc2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(NC1CC1)[C@@H]1CC[C@H](N(C1)C(=O)Cc1ccccc1)[*:1]
Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(C[NH+](C)C3CCCC3)nc21 Cc1ccccc1[*:1] Cc1nc(C[NH+](C)C2CCCC2)nc2c1CCC(=O)N2CCO[*:1]
Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(C[NH+](C)C3CCCC3)nc21 Cc1ccccc1O[*:1] Cc1nc(C[NH+](C)C2CCCC2)nc2c1CCC(=O)N2CC[*:1]
Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(C[NH+](C)C3CCCC3)nc21 Cc1ccccc1OCC[*:1] Cc1nc(C[NH+](C)C2CCCC2)nc2c1CCC(=O)N2[*:1]
Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(C[NH+](C)C3CCCC3)nc21 Cc1ccccc1OC[*:1] Cc1nc(C[NH+](C)C2CCCC2)nc2c1CCC(=O)N2C[*:1]
O=C(NCC1(c2cccs2)CCOCC1)c1ccccc1Cl c1csc(c1)[*:1] O=C(NCC1(CCOCC1)[*:1])c1ccccc1Cl
O=C(NCC1(c2cccs2)CCOCC1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCC1(CCOCC1)c1cccs1)[*:1]
COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1 COc1cccc(OC)c1[*:1] C[C@@H]1CCC[C@H](NC(=O)c2cncn2-c2ccc(cc2)[*:1])[C@@H]1C
CN(C)c1cc(C(=O)Nc2cccc(Cl)n2)cc(Cl)n1 CN(C)[*:1] O=C(Nc1cccc(Cl)n1)c1cc(Cl)nc(c1)[*:1]
CSCc1cc(F)ccc1CNC(=O)c1csc(C)n1 Cc1nc(cs1)[*:1] CSCc1cc(F)ccc1CNC(=O)[*:1]
CSCc1cc(F)ccc1CNC(=O)c1csc(C)n1 CSC[*:1] Cc1nc(cs1)C(=O)NCc1ccc(F)cc1[*:1]
CCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] CCOc1ccc(cc1)CN(C)S(=O)(=O)[*:1]
CCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1 CCO[*:1] CN(Cc1ccc(cc1)[*:1])S(=O)(=O)c1ccc(Cl)s1
CCOc1ccc(NC(=O)NNc2ncccc2Cl)cc1F Clc1cccnc1[*:1] CCOc1ccc(cc1F)NC(=O)NN[*:1]
CCOc1ccc(NC(=O)NNc2ncccc2Cl)cc1F CCO[*:1] O=C(NNc1ncccc1Cl)Nc1ccc(c(F)c1)[*:1]
Cc1nc(NCCCC[C@@H]2CCCO2)c2c(C)nn(C)c2n1 C1CO[C@@H](C1)[*:1] Cc1nc(NCCCC[*:1])c2c(C)nn(C)c2n1
Cc1nc(NCCCC[C@@H]2CCCO2)c2c(C)nn(C)c2n1 C1CO[C@@H](C1)CC[*:1] Cc1nc(NCC[*:1])c2c(C)nn(C)c2n1
Cc1nc(NCCCC[C@@H]2CCCO2)c2c(C)nn(C)c2n1 C1CO[C@@H](C1)C[*:1] Cc1nc(NCCC[*:1])c2c(C)nn(C)c2n1
C[C@](O)(CNC(=O)c1ccc(Cn2ccnc2)cc1)c1ccsc1 c1cn(cn1)[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)C[*:1])c1ccsc1
C[C@](O)(CNC(=O)c1ccc(Cn2ccnc2)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)Cn1ccnc1)[*:1]
C[C@](O)(CNC(=O)c1ccc(Cn2ccnc2)cc1)c1ccsc1 c1cn(cn1)C[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)[*:1])c1ccsc1
C[C@@](O)(CNC(=O)Cc1csc(Cc2ccccc2)n1)c1ccc(F)cc1F c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)Cc1csc(C[*:1])n1)c1ccc(F)cc1F
C[C@@](O)(CNC(=O)Cc1csc(Cc2ccccc2)n1)c1ccc(F)cc1F c1ccc(cc1)C[*:1] C[C@@](O)(CNC(=O)Cc1csc(n1)[*:1])c1ccc(F)cc1F
C[C@@](O)(CNC(=O)Cc1csc(Cc2ccccc2)n1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@](O)(CNC(=O)Cc1csc(Cc2ccccc2)n1)[*:1]
CC(C)[C@@H](NC(=O)CC1(O)CCCCC1)C(=O)N1CCOCC1 CC(C)[*:1] O=C(CC1(O)CCCCC1)N[C@@H](C(=O)N1CCOCC1)[*:1]
CC(C)[C@@H](NC(=O)CC1(O)CCCCC1)C(=O)N1CCOCC1 OC1(CCCCC1)[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)N1CCOCC1
CC(C)C[C@@H]1C(=O)NC(=O)C[C@@H]1c1ccc(F)c(F)c1 CC(C)[*:1] O=C1C[C@H](c2ccc(F)c(F)c2)[C@H](C[*:1])C(=O)N1
CC(C)C[C@@H]1C(=O)NC(=O)C[C@@H]1c1ccc(F)c(F)c1 CC(C)C[*:1] O=C1C[C@H](c2ccc(F)c(F)c2)[C@@H](C(=O)N1)[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)COc2ccccc2F)c1 Fc1ccccc1[*:1] N#Cc1ccc(OC(F)F)c(c1)NC(=O)CO[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)COc2ccccc2F)c1 FC(F)O[*:1] N#Cc1ccc(c(c1)NC(=O)COc1ccccc1F)[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)COc2ccccc2F)c1 FC(F)[*:1] N#Cc1ccc(O[*:1])c(c1)NC(=O)COc1ccccc1F
N#Cc1ccc(OC(F)F)c(NC(=O)COc2ccccc2F)c1 Fc1ccccc1O[*:1] N#Cc1ccc(OC(F)F)c(c1)NC(=O)C[*:1]
CCOCCCn1/c(=N/C(=O)[C@@H](C)NC(N)=O)[nH]c2ccccc21 NC(=O)N[*:1] CCOCCCn1/c(=N/C(=O)[C@@H](C)[*:1])[nH]c2ccccc21
CCOCCCn1/c(=N/C(=O)[C@@H](C)NC(N)=O)[nH]c2ccccc21 CCOC[*:1] C[C@@H](NC(N)=O)C(=O)/N=c1\[nH]c2ccccc2n1CC[*:1]
CCOCCCn1/c(=N/C(=O)[C@@H](C)NC(N)=O)[nH]c2ccccc21 CCOCCC[*:1] C[C@@H](NC(N)=O)C(=O)/N=c1\[nH]c2ccccc2n1[*:1]
CCOCCCn1/c(=N/C(=O)[C@@H](C)NC(N)=O)[nH]c2ccccc21 CCOCC[*:1] C[C@@H](NC(N)=O)C(=O)/N=c1\[nH]c2ccccc2n1C[*:1]
CCOCCCn1/c(=N/C(=O)[C@@H](C)NC(N)=O)[nH]c2ccccc21 CCO[*:1] C[C@@H](NC(N)=O)C(=O)/N=c1\[nH]c2ccccc2n1CCC[*:1]
Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2[C@H](C)C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)[O-])N1C(=O)c2ccccc2[C@H]1c1c([nH]c2ccccc12)[*:1]
Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2[C@H](C)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1[C@H](C)[*:1]
CCOC(=O)c1nn(-c2ccc(C)c(C)c2)cc1C=O CCOC(=O)[*:1] Cc1ccc(cc1C)-n1cc(C=O)c(n1)[*:1]
CC[NH2+][C@@H](Cc1ccccc1)[C@@H]1CN(CC)CCO1 c1ccc(cc1)[*:1] CC[NH2+][C@@H](C[*:1])[C@@H]1CN(CC)CCO1
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 FC(F)(F)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc2c(Cl)cc(cn12)[*:1]
CCc1cccc(C)c1NC(=O)c1cccc(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1cccc(C)c1NC(=O)c1cccc(C)c1[*:1]
CCn1c(CC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)n[nH]c1=O Fc1cc(F)cc(c1)[*:1] CCn1c(CC2CC[NH+](CC2)C[*:1])n[nH]c1=O
CCn1c(CC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)n[nH]c1=O CCn1c(n[nH]c1=O)[*:1] Fc1cc(F)cc(c1)C[NH+]1CCC(CC1)C[*:1]
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccccc1
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 O=C(N[*:1])c1ccccc1 COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
N#Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 N#Cc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
CCOc1ccc(OC(=O)c2nc(C3CC3)n3ccccc23)cc1 CCO[*:1] O=C(Oc1ccc(cc1)[*:1])c1nc(C2CC2)n2ccccc12
CCOc1ccc(OC(=O)c2nc(C3CC3)n3ccccc23)cc1 C1CC1[*:1] CCOc1ccc(cc1)OC(=O)c1nc(n2ccccc12)[*:1]
COc1ccc(SCCC(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 COc1ccc(cc1)S[*:1] Cc1ccc(-c2nnc(NC(=O)CC[*:1])o2)c(C)c1
COc1ccc(SCCC(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(-c2nnc(NC(=O)CCS[*:1])o2)c(C)c1
COc1ccc(SCCC(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)SCCC(=O)Nc1nnc(o1)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)c2cnc([C@H]3CCCO3)s2)nc1 Cc1ccc(nc1)[*:1] CN(CC(=O)N[*:1])C(=O)c1cnc(s1)[C@H]1CCCO1
CCCc1cc(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)n(C)n1 FC(F)(F)[*:1] CCCc1cc(C(=O)NC[C@H](O)c2cccc(c2)[*:1])n(C)n1
CCCc1cc(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)n(C)n1 CCC[*:1] Cn1nc(cc1C(=O)NC[C@H](O)c1cccc(c1)C(F)(F)F)[*:1]
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
N#C[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 Fc1ccc(cc1)[*:1] N#C[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)[*:1]
O=C(CNC(=O)N1CCO[C@H](c2ccccc2F)C1)Nc1ccc(Cl)cc1 Fc1ccccc1[*:1] O=C(CNC(=O)N1CCO[C@H](C1)[*:1])Nc1ccc(Cl)cc1
O=C(CNC(=O)N1CCO[C@H](c2ccccc2F)C1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CNC(=O)N1CCO[C@@H](C1)c1ccccc1F)N[*:1]
COC(=O)c1cccc(C)c1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 Cc1cc(C)n(n1)[*:1] COC(=O)c1cccc(C)c1NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1cccc(C)c1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 COC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)Nc1c(C)cccc1[*:1]
c1ccc([C@H]([NH2+]Cc2cccnc2)c2ccccn2)cc1 c1cncc(c1)C[*:1] c1ccc(cc1)[C@H]([NH2+][*:1])c1ccccn1
c1ccc([C@H]([NH2+]Cc2cccnc2)c2ccccn2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)[C@H]([NH2+]Cc1cccnc1)[*:1]
c1ccc([C@H]([NH2+]Cc2cccnc2)c2ccccn2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)[C@@H]([NH2+]Cc1cccnc1)[*:1]
c1ccc([C@H]([NH2+]Cc2cccnc2)c2ccccn2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)[C@H]([NH2+]C[*:1])c1ccccn1
Cc1ccc2[nH]c(=S)n(CCCC(N)=O)c2c1 NC(=O)CC[*:1] Cc1ccc2[nH]c(=S)n(C[*:1])c2c1
Cc1ccc2[nH]c(=S)n(CCCC(N)=O)c2c1 NC(=O)[*:1] Cc1ccc2[nH]c(=S)n(CCC[*:1])c2c1
Cc1ccc2[nH]c(=S)n(CCCC(N)=O)c2c1 NC(=O)C[*:1] Cc1ccc2[nH]c(=S)n(CC[*:1])c2c1
Cc1cc(NC(=O)[C@H](C)SCc2ccccc2)on1 Cc1cc(on1)[*:1] C[C@H](SCc1ccccc1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@H](C)SCc2ccccc2)on1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@H](C)SC[*:1])on1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OC(C)C)C1=O CC(C)OC(=O)[*:1] CC[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OC(C)C)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)OC(C)C)C1=O)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OC(C)C)C1=O CC(C)[*:1] CC[C@@]1(NC(=O)N(CC(=O)O[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OC(C)C)C1=O CC(C)OC(=O)C[*:1] CC[C@@]1(NC(=O)N(C1=O)[*:1])c1ccccc1
Cc1ccc(C)c(-c2n[nH]cc2C[NH+](C)Cc2ncc[nH]2)c1 c1c[nH]c(n1)[*:1] Cc1ccc(C)c(c1)-c1n[nH]cc1C[NH+](C)C[*:1]
Cc1ccc(C)c(-c2n[nH]cc2C[NH+](C)Cc2ncc[nH]2)c1 c1c[nH]c(C[*:1])n1 Cc1ccc(C)c(c1)-c1n[nH]cc1C[NH+](C)[*:1]
CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)C(C)C)c1 CC(C)[*:1] CC(C)CCNC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)C(C)C)c1 CC(C)C[*:1] CC(C)C(=O)Nc1cc(ccc1Cl)C(=O)NC[*:1]
CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)C(C)C)c1 CC(C)C(=O)N[*:1] CC(C)CCNC(=O)c1ccc(Cl)c(c1)[*:1]
CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)C(C)C)c1 CC(C)CC[*:1] CC(C)C(=O)Nc1cc(ccc1Cl)C(=O)N[*:1]
CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)C(C)C)c1 CC(C)[*:1] CC(C)C(=O)Nc1cc(ccc1Cl)C(=O)NCC[*:1]
C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1OCC1CC1 C1CC1CO[*:1] C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1[*:1]
C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1OCC1CC1 C1CC1C[*:1] C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1O[*:1]
C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1OCC1CC1 C[C@@H](CO)[*:1] O=C(Nc1ccccc1OCC1CC1)C(=O)N[*:1]
C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1OCC1CC1 C1CC1[*:1] C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1OC[*:1]
C[C@@H](CS)CN1C(=O)[C@H]2C[C@H]2C1=O C[C@@H](CS)[*:1] O=C1[C@H]2C[C@H]2C(=O)N1C[*:1]
CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 CCC[*:1] O=C(N[*:1])c1cccc(c1)[N-]S(=O)(=O)c1cccc(c1)C(F)(F)F
CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 CCCNC(=O)[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1cccc(c1)C(F)(F)F
CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] CCCNC(=O)c1cccc(c1)[N-]S(=O)(=O)c1cccc(c1)[*:1]
CSCc1ccnc(N2C[C@H](c3ccsc3)O[C@H](C)C2)c1 c1cc(cs1)[*:1] CSCc1ccnc(c1)N1C[C@H](O[C@H](C)C1)[*:1]
CSCc1ccnc(N2C[C@H](c3ccsc3)O[C@H](C)C2)c1 CSC[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccsc1)c1cc(ccn1)[*:1]
Cc1ccsc1/C=N/NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 Cc1ccsc1[*:1] O=C(NN=C[*:1])c1ccccc1[N-]S(=O)(=O)c1cccs1
Cc1ccsc1/C=N/NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 c1csc(c1)[*:1] Cc1ccsc1/C=N/NC(=O)c1ccccc1[N-]S(=O)(=O)[*:1]
COc1ccc2cc(CSCC(C)C)c(Cl)nc2c1 CC(C)C[*:1] COc1ccc2cc(CS[*:1])c(Cl)nc2c1
COc1ccc2cc(CSCC(C)C)c(Cl)nc2c1 CC(C)CS[*:1] COc1ccc2cc(C[*:1])c(Cl)nc2c1
COc1ccc2cc(CSCC(C)C)c(Cl)nc2c1 CC(C)CSC[*:1] COc1ccc2cc(c(Cl)nc2c1)[*:1]
COc1ccc2cc(CSCC(C)C)c(Cl)nc2c1 CC(C)[*:1] COc1ccc2cc(CSC[*:1])c(Cl)nc2c1
COc1ccc(OC)c([C@H]2CCCN2C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)N[C@H]([C@@H]1CCCO1)[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 COc1ccc(OC)c(c1)[*:1] O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCC[C@@H]1[*:1]
O=C(Nc1ccn(-c2ncccc2Cl)n1)c1ccc(Cl)o1 Clc1ccc(o1)[*:1] O=C(Nc1ccn(n1)-c1ncccc1Cl)[*:1]
O=C(Nc1ccn(-c2ncccc2Cl)n1)c1ccc(Cl)o1 Clc1cccnc1[*:1] O=C(Nc1ccn(n1)[*:1])c1ccc(Cl)o1
CC(=O)N(C)c1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 CC(=O)N(C)[*:1] O=C(CCC(=O)c1ccc2CCCc2c1)Nc1cccc(c1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 c1cc2CCCc2cc1[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)CCC(=O)[*:1]
CCc1cc(NC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)n(C)n1 O=S1(=O)CC[C@H](C1)[*:1] CCc1cc(NC(=O)N(CC)[*:1])n(C)n1
OC[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] OC[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)[*:1]
CCC1(CC)CC(=O)N(CCOc2ccccc2)C1=O c1ccc(cc1)[*:1] CCC1(CC)CC(=O)N(CCO[*:1])C1=O
CC(C)[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)[*:1]
CC(C)[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccccn1 CC(C)[*:1] O=C(Cn1ccc(=O)c2ccccc21)N[C@H](c1ccccn1)[*:1]
O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccccc1Cl Clc1ccccc1[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[*:1]
O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccccc1Cl Fc1ccc(cc1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](N1Cc1ccccc1Cl)[*:1]
O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccccc1Cl Clc1ccccc1C[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1[*:1]
CC(C)c1cc(C(=O)NCc2csc(CCc3ccccc3)n2)nn1C c1ccc(cc1)C[*:1] CC(C)c1cc(nn1C)C(=O)NCc1csc(C[*:1])n1
CC(C)c1cc(C(=O)NCc2csc(CCc3ccccc3)n2)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)NCc1csc(CCc2ccccc2)n1
CC(C)c1cc(C(=O)NCc2csc(CCc3ccccc3)n2)nn1C c1ccc(cc1)[*:1] CC(C)c1cc(nn1C)C(=O)NCc1csc(CC[*:1])n1
CC(C)c1cc(C(=O)NCc2csc(CCc3ccccc3)n2)nn1C c1ccc(cc1)CC[*:1] CC(C)c1cc(nn1C)C(=O)NCc1csc(n1)[*:1]
O=C(c1cccc(-c2ccoc2)c1)N1CCC(OC2CCCC2)CC1 C1CCC(C1)O[*:1] O=C(c1cccc(c1)-c1ccoc1)N1CCC(CC1)[*:1]
O=C(c1cccc(-c2ccoc2)c1)N1CCC(OC2CCCC2)CC1 c1cc(co1)[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)OC1CCCC1
O=C(c1cccc(-c2ccoc2)c1)N1CCC(OC2CCCC2)CC1 C1CCC(C1)[*:1] O=C(c1cccc(c1)-c1ccoc1)N1CCC(CC1)O[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C[C@@H]2Oc3ccccc3NC2=O)c1 CC(=O)c1cccc(c1)[*:1] C[C@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)N[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C[C@@H]2Oc3ccccc3NC2=O)c1 CC(=O)[*:1] C[C@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)Nc1cccc(c1)[*:1]
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4F)o3)sc2c1 Fc1ccccc1[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(o3)[*:1])sc2c1
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4F)o3)sc2c1 CS(=O)(=O)[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1ccc(o1)-c1ccccc1F
CCCCN(C(=O)c1cnccn1)[C@H](C)c1ccccc1 CCCC[*:1] C[C@H](c1ccccc1)N(C(=O)c1cnccn1)[*:1]
CCCCN(C(=O)c1cnccn1)[C@H](C)c1ccccc1 CCC[*:1] C[C@H](c1ccccc1)N(C[*:1])C(=O)c1cnccn1
CCCCN(C(=O)c1cnccn1)[C@H](C)c1ccccc1 c1cnc(cn1)[*:1] CCCCN(C(=O)[*:1])[C@H](C)c1ccccc1
CCCCN(C(=O)c1cnccn1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCCCN(C(=O)c1cnccn1)[C@H](C)[*:1]
CCc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C(N)=O)ncn23)c1 NC(=O)[*:1] CCc1cccc(c1)NC(=O)c1cc(nc2c(ncn12)[*:1])-c1ccccc1
CCc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C(N)=O)ncn23)c1 c1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)c1cc(nc2c(ncn12)C(N)=O)[*:1]
CCc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C(N)=O)ncn23)c1 CCc1cccc(c1)[*:1] NC(=O)c1ncn2c(cc(nc12)-c1ccccc1)C(=O)N[*:1]
C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
C#CCN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2O)C1=O C#CC[*:1] COc1cc(Br)cc(/C=C2/SC(=O)N(C2=O)[*:1])c1O
O=S(=O)(/N=C(\[O-])Cc1ccc(F)cc1)c1cccc2ncccc12 Fc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1cccc2ncccc12
O=S(=O)(/N=C(\[O-])Cc1ccc(F)cc1)c1cccc2ncccc12 Fc1ccc(cc1)C[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1cccc2ncccc12
C[C@H](C(=O)NNC(=S)N[C@H](C)C1CC1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)NNC(=S)N[C@H](C)C1CC1)[*:1]
C[C@H](C(=O)NNC(=S)N[C@H](C)C1CC1)c1ccsc1 C[C@H](C1CC1)[*:1] C[C@H](C(=O)NNC(=S)N[*:1])c1ccsc1
C[C@H](C(=O)NNC(=S)N[C@H](C)C1CC1)c1ccsc1 C1CC1[*:1] C[C@H](C(=O)NNC(=S)N[C@H](C)[*:1])c1ccsc1
CCCCN1C(=O)C[C@@H](C(=O)NC(C)C)[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCCCN1C(=O)C[C@@H](C(=O)NC(C)C)[C@H]1[*:1]
CCCCN1C(=O)C[C@@H](C(=O)NC(C)C)[C@@H]1c1ccc(OC)cc1 CCCC[*:1] COc1ccc(cc1)[C@H]1[C@@H](CC(=O)N1[*:1])C(=O)NC(C)C
CCCCN1C(=O)C[C@@H](C(=O)NC(C)C)[C@@H]1c1ccc(OC)cc1 CC(C)[*:1] CCCCN1C(=O)C[C@@H](C(=O)N[*:1])[C@@H]1c1ccc(cc1)OC
CCCCN1C(=O)C[C@@H](C(=O)NC(C)C)[C@@H]1c1ccc(OC)cc1 CC(C)NC(=O)[*:1] CCCCN1C(=O)C[C@@H]([C@@H]1c1ccc(cc1)OC)[*:1]
CCCCN1C(=O)C[C@@H](C(=O)NC(C)C)[C@@H]1c1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)[C@H]1[C@@H](CC(=O)N1C[*:1])C(=O)NC(C)C
CN(C)[C@@H](C[NH2+]CC(=O)N1CCc2ccccc21)c1ccccc1 CN(C)[*:1] O=C(C[NH2+]C[C@@H](c1ccccc1)[*:1])N1CCc2ccccc21
CN(C)[C@@H](C[NH2+]CC(=O)N1CCc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CN(C)[C@@H](C[NH2+]CC(=O)N1CCc2ccccc21)[*:1]
CCCC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1C CCC[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)c1cccc(c1)NC(=O)NC(C)C
CCCC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)c1cccc(c1)NC(=O)NC(C)C
CCCC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1C CC(C)NC(=O)N[*:1] CCCC(=O)Nc1cccc(NC(=O)c2cccc(c2)[*:1])c1C
CCCC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1C CC(C)[*:1] CCCC(=O)Nc1cccc(NC(=O)c2cccc(c2)NC(=O)N[*:1])c1C
CC(C)c1nnc(C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)o1 CC(C)[*:1] O=C(Nc1ccc(Cl)cc1)N1CCC(CC1)c1nnc(o1)[*:1]
CC(C)c1nnc(C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)o1 CC(C)c1nnc(o1)[*:1] O=C(Nc1ccc(Cl)cc1)N1CCC(CC1)[*:1]
CC(C)c1nnc(C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)o1 Clc1ccc(cc1)[*:1] CC(C)c1nnc(o1)C1CCN(CC1)C(=O)N[*:1]
Cc1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NCCC[NH+]1CCN(CC1)c1ccccc1)[*:1]
Cc1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NCCC[NH+]2CCN(CC2)[*:1])c(C)o1
Cc1ccccc1COC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 Cc1ccccc1C[*:1] O=C(c1ccc(cc1)-n1ccnc1)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 c1cn(cn1)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 Cc1ccccc1CO[*:1] O=C(c1ccc(cc1)-n1ccnc1)N1CCC(CC1)[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 Cc1ccccc1[*:1] O=C(c1ccc(cc1)-n1ccnc1)N1CCC(CC1)OC[*:1]
O=C(NCc1ccccc1OC(F)(F)F)C1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1OC(F)(F)F)C1(CC1)[*:1]
O=C(NCc1ccccc1OC(F)(F)F)C1(c2ccccc2)CC1 FC(F)(F)O[*:1] O=C(NCc1ccccc1[*:1])C1(CC1)c1ccccc1
O=C(NCc1ccccc1OC(F)(F)F)C1(c2ccccc2)CC1 FC(F)(F)[*:1] O=C(NCc1ccccc1O[*:1])C1(CC1)c1ccccc1
Cc1noc(CN[C@H](c2ccccc2)c2cccc(F)c2)n1 c1ccc(cc1)[*:1] Cc1noc(CN[C@H](c2cccc(F)c2)[*:1])n1
Cc1noc(CN[C@H](c2ccccc2)c2cccc(F)c2)n1 Cc1noc(C[*:1])n1 Fc1cccc(c1)[C@H](N[*:1])c1ccccc1
Cc1noc(CN[C@H](c2ccccc2)c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] Cc1noc(CN[C@H](c2ccccc2)[*:1])n1
Cc1noc(CN[C@H](c2ccccc2)c2cccc(F)c2)n1 Cc1noc(n1)[*:1] Fc1cccc(c1)[C@H](NC[*:1])c1ccccc1
Cc1ccccc1-c1nnc(SCc2nncn2C)n1Cc1ccco1 c1coc(c1)[*:1] Cc1ccccc1-c1nnc(SCc2nncn2C)n1C[*:1]
Cc1ccccc1-c1nnc(SCc2nncn2C)n1Cc1ccco1 Cn1cnnc1C[*:1] Cc1ccccc1-c1nnc(S[*:1])n1Cc1ccco1
Cc1ccccc1-c1nnc(SCc2nncn2C)n1Cc1ccco1 Cn1cnnc1[*:1] Cc1ccccc1-c1nnc(SC[*:1])n1Cc1ccco1
Cc1ccccc1-c1nnc(SCc2nncn2C)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1ccccc1-c1nnc(SCc2nncn2C)n1[*:1]
Cc1ccccc1-c1nnc(SCc2nncn2C)n1Cc1ccco1 Cn1cnnc1CS[*:1] Cc1ccccc1-c1nnc(n1Cc1ccco1)[*:1]
Cc1ccccc1-c1nnc(SCc2nncn2C)n1Cc1ccco1 Cc1ccccc1[*:1] Cn1cnnc1CSc1nnc(n1Cc1ccco1)[*:1]
CCCCOc1ccc([C@@H]([NH3+])Cc2ccc(C)cn2)cc1 Cc1ccc(nc1)[*:1] CCCCOc1ccc(cc1)[C@@H]([NH3+])C[*:1]
CCCCOc1ccc([C@@H]([NH3+])Cc2ccc(C)cn2)cc1 CCCC[*:1] Cc1ccc(C[C@H]([NH3+])c2ccc(cc2)O[*:1])nc1
CCCCOc1ccc([C@@H]([NH3+])Cc2ccc(C)cn2)cc1 CCCCO[*:1] Cc1ccc(C[C@H]([NH3+])c2ccc(cc2)[*:1])nc1
CCCCOc1ccc([C@@H]([NH3+])Cc2ccc(C)cn2)cc1 CCC[*:1] Cc1ccc(C[C@H]([NH3+])c2ccc(cc2)OC[*:1])nc1
CC(C)[C@@H](CO)NC(=O)c1n[nH]cc1N CC(C)[*:1] Nc1c[nH]nc1C(=O)N[C@H](CO)[*:1]
CC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[nH]c1=O)c1cccc(Cl)c1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)Cc1c(C)nc([nH]c1=O)[*:1])c1cccc(Cl)c1
CC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[nH]c1=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)Cc1c(C)nc([nH]c1=O)-c1ccncc1)[*:1]
O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2cccn2-c2cccnc2)C1 c1coc(c1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1cccn1-c1cccnc1
O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2cccn2-c2cccnc2)C1 O=C(NCc1ccco1)[*:1] O=C(c1cccn1-c1cccnc1)N1CCC[C@H](C1)[*:1]
O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2cccn2-c2cccnc2)C1 c1coc(c1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)c1cccn1-c1cccnc1
O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2cccn2-c2cccnc2)C1 c1cncc(c1)[*:1] O=C(NCc1ccco1)[C@@H]1CCCN(C1)C(=O)c1cccn1[*:1]
Cc1cc(Cl)cc(C)c1OCC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 Cc1cc(Cl)cc(C)c1[*:1] O=C(CN1CCN(CC1)C(=O)CO[*:1])Nc1ccccc1Cl
Cc1cc(Cl)cc(C)c1OCC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 O=C(Nc1ccccc1Cl)[*:1] Cc1cc(Cl)cc(C)c1OCC(=O)N1CCN(CC1)C[*:1]
Cc1cc(Cl)cc(C)c1OCC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1cc(Cl)cc(C)c1OCC(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1cc(Cl)cc(C)c1OCC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 Cc1cc(Cl)cc(C)c1O[*:1] O=C(CN1CCN(CC1)C(=O)C[*:1])Nc1ccccc1Cl
CCN(c1ccc(F)cc1)S(=O)(=O)c1cn(C)cn1 Cn1cnc(c1)[*:1] CCN(c1ccc(F)cc1)S(=O)(=O)[*:1]
O=C(Nc1cccc(OC(F)F)c1)c1cccnc1OCC(F)F FC(F)O[*:1] O=C(Nc1cccc(c1)[*:1])c1cccnc1OCC(F)F
O=C(Nc1cccc(OC(F)F)c1)c1cccnc1OCC(F)F FC(F)[*:1] O=C(Nc1cccc(c1)O[*:1])c1cccnc1OCC(F)F
O=C(Nc1cccc(OC(F)F)c1)c1cccnc1OCC(F)F FC(F)C[*:1] O=C(Nc1cccc(c1)OC(F)F)c1cccnc1O[*:1]
O=C(Nc1cccc(OC(F)F)c1)c1cccnc1OCC(F)F FC(F)[*:1] O=C(Nc1cccc(c1)OC(F)F)c1cccnc1OC[*:1]
O=C(Nc1cccc(OC(F)F)c1)c1cccnc1OCC(F)F FC(F)CO[*:1] O=C(Nc1cccc(c1)OC(F)F)c1cccnc1[*:1]
COC(=O)N1CCC[C@H](NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 Cc1n[nH]c(C)c1[*:1] COC(=O)N1CCC[C@@H](C1)NC(=O)[C@@H](C)C[*:1]
NC(=O)C(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 c1ccc(cc1)C[*:1] NC(=O)C(=O)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
NC(=O)C(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 c1ccc(cc1)[*:1] NC(=O)C(=O)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
C[C@@](O)(Cc1ccccc1)C[C@H]1CCCN(S(C)(=O)=O)C1 c1ccc(cc1)C[*:1] C[C@@](O)(C[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
C[C@@](O)(Cc1ccccc1)C[C@H]1CCCN(S(C)(=O)=O)C1 c1ccc(cc1)[*:1] C[C@](O)(C[C@H]1CCCN(C1)S(C)(=O)=O)C[*:1]
CC[C@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC[C@H](NC(=O)N1CC[C@](O)(C1)C(F)(F)F)[*:1]
CC[C@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(F)cc1F FC(F)(F)[*:1] CC[C@H](NC(=O)N1CC[C@@](O)(C1)[*:1])c1ccc(F)cc1F
Cc1cc(CCNC(=O)c2nc3ccccc3s2)on1 Cc1cc(on1)[*:1] O=C(NCC[*:1])c1nc2ccccc2s1
CCC(CC)NC(=O)c1nc(N2CCCC2)c2c(C)scc2n1 C1CCN(C1)[*:1] CCC(CC)NC(=O)c1nc(c2c(C)scc2n1)[*:1]
CCC(CC)NC(=O)c1nc(N2CCCC2)c2c(C)scc2n1 CCC(CC)[*:1] Cc1scc2nc(nc(c12)N1CCCC1)C(=O)N[*:1]
CCC(=O)Nc1cccc(C(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c1 CCC(=O)N[*:1] C[NH+](C)CCN(C(=O)c1cccc(c1)[*:1])C1CC[NH+](C)CC1
COc1cccc(CNC(=O)CNC2(c3ccc(F)cc3)CCOCC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)CNC1(CCOCC1)[*:1]
COc1cccc(CNC(=O)CNC2(c3ccc(F)cc3)CCOCC2)c1 COc1cccc(c1)[*:1] O=C(CNC1(CCOCC1)c1ccc(F)cc1)NC[*:1]
COc1cccc(CNC(=O)CNC2(c3ccc(F)cc3)CCOCC2)c1 COc1cccc(c1)C[*:1] O=C(CNC1(CCOCC1)c1ccc(F)cc1)N[*:1]
CCNc1cc(C)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1C CCN[*:1] Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c(c1)[*:1]
CC(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] CC(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[*:1]
CC(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NCc1ccco1 CC(=O)N[*:1] O=C(NCc1ccco1)[C@@H](Cc1cc2ccccc2[nH]1)[*:1]
CC(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NCc1ccco1 c1coc(c1)[*:1] CC(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NC[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 FC(F)(F)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc2c(cc(=O)oc2c1)[*:1]
COc1cccc2cc(-c3csc(CC(=O)NCc4ccco4)n3)c(=O)oc12 O=C(NCc1ccco1)[*:1] COc1cccc2cc(-c3csc(C[*:1])n3)c(=O)oc12
COc1cccc2cc(-c3csc(CC(=O)NCc4ccco4)n3)c(=O)oc12 c1coc(c1)[*:1] COc1cccc2cc(-c3csc(CC(=O)NC[*:1])n3)c(=O)oc12
COc1cccc2cc(-c3csc(CC(=O)NCc4ccco4)n3)c(=O)oc12 c1coc(c1)C[*:1] COc1cccc2cc(-c3csc(CC(=O)N[*:1])n3)c(=O)oc12
CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCN(c2ccccc2F)CC1 CCC(C)(C)[*:1] Cc1cccc2cc(c(=O)[nH]c12)[C@H](c1nnnn1[*:1])[NH+]1CCN(CC1)c1ccccc1F
CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCN(CC1)[*:1]
CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCN(c2ccccc2F)CC1 Cc1cccc2cc(c(=O)[nH]c12)[*:1] CCC(C)(C)n1nnnc1[C@@H]([NH+]1CCN(CC1)c1ccccc1F)[*:1]
Cc1nc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)cs1 Cc1nc(cs1)[*:1] O=C(C=C[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
Cc1nc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)cs1 C1CCC(C1)O[*:1] Cc1nc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2[*:1])cs1
Cc1nc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)cs1 C1CCC(C1)[*:1] Cc1nc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2O[*:1])cs1
COC(=O)c1sc2ccc(NC(=O)Nc3ccccc3Cl)cc2c1OC COC(=O)[*:1] COc1c(sc2ccc(cc12)NC(=O)Nc1ccccc1Cl)[*:1]
COC(=O)c1sc2ccc(NC(=O)Nc3ccccc3Cl)cc2c1OC Clc1ccccc1[*:1] COC(=O)c1sc2ccc(cc2c1OC)NC(=O)N[*:1]
Cc1ccc(CNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 Cc1ccc(cc1)C[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1cc(ccc1Cl)C(F)(F)F
Cc1ccc(CNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)CNC(=O)CN(c1cc(ccc1Cl)[*:1])S(C)(=O)=O
Cc1ccc(CNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)N(CC(=O)NC[*:1])c1cc(ccc1Cl)C(F)(F)F
CN(c1ccc(F)cc1)S(=O)(=O)c1c(F)cc(F)cc1Br Fc1ccc(cc1)[*:1] CN(S(=O)(=O)c1c(F)cc(F)cc1Br)[*:1]
C[C@H](CNC(=O)c1c[nH]c2nccc(Cl)c12)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)c1c[nH]c2nccc(Cl)c12)C[*:1]
C[C@H](CNC(=O)c1c[nH]c2nccc(Cl)c12)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@H](CNC(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CCN(Cc1noc(C)n1)C(=O)c1cccc(-n2cnnc2)c1 Cc1nc(C[*:1])no1 CCN(C(=O)c1cccc(c1)-n1cnnc1)[*:1]
CCN(Cc1noc(C)n1)C(=O)c1cccc(-n2cnnc2)c1 c1nncn1[*:1] CCN(Cc1noc(C)n1)C(=O)c1cccc(c1)[*:1]
CCN(Cc1noc(C)n1)C(=O)c1cccc(-n2cnnc2)c1 Cc1nc(no1)[*:1] CCN(C[*:1])C(=O)c1cccc(c1)-n1cnnc1
CC(C)C1([NH3+])CN(C(=O)N[C@H]2CCOC2)C1 C1C[C@@H](CO1)[*:1] CC(C)C1([NH3+])CN(C1)C(=O)N[*:1]
CC(C)C1([NH3+])CN(C(=O)N[C@H]2CCOC2)C1 CC(C)[*:1] [NH3+]C1(CN(C1)C(=O)N[C@H]1CCOC1)[*:1]
CCc1ccc([C@@H](NC(=O)C[C@@H]2SC(N)=NC2=O)C(C)(C)C)o1 CCc1ccc(o1)[*:1] CC(C)(C)[C@H](NC(=O)C[C@@H]1SC(N)=NC1=O)[*:1]
CCc1ccc([C@@H](NC(=O)C[C@@H]2SC(N)=NC2=O)C(C)(C)C)o1 CC(C)(C)[*:1] CCc1ccc(o1)[C@@H](NC(=O)C[C@@H]1SC(N)=NC1=O)[*:1]
CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CC1 C1CC1[*:1] CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[*:1]
CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CC1 CC[C@H](C)[*:1] CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@H](C(=O)NC1CC1)[*:1]
CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CC1 O=C(NC1CC1)[*:1] CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)[*:1]
CC[C@H]1C(=O)NCCN1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] CC[C@H]1C(=O)NCCN1Cc1nnc(s1)C(=O)N[*:1]
CCC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1C CCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)c1cc(Cl)cc(Cl)c1
O=C(NNC(=O)c1ccccc1Cl)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NNC(=O)c1ccccc1Cl)N[*:1]
Cc1ccc2oc(C(=O)NC[C@@H](O)c3ccc(F)cc3)cc2c1 Fc1ccc(cc1)[*:1] Cc1ccc2oc(cc2c1)C(=O)NC[C@@H](O)[*:1]
CC(C)Cc1ccc(CN2CC[C@H](C[NH3+])C2)cc1 CC(C)[*:1] [NH3+]C[C@H]1CCN(Cc2ccc(cc2)C[*:1])C1
CC(C)Cc1ccc(CN2CC[C@H](C[NH3+])C2)cc1 CC(C)C[*:1] [NH3+]C[C@H]1CCN(Cc2ccc(cc2)[*:1])C1
COc1cc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)ccc1SC CC(C)(C)[*:1] COc1cc(ccc1SC)[C@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1]
Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NC(=O)N(C)Cc2ccsc2)c1 Cc1cnn(c1)[*:1] CN(Cc1ccsc1)C(=O)Nc1cc(ccc1[*:1])S(N)(=O)=O
Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NC(=O)N(C)Cc2ccsc2)c1 c1cc(cs1)[*:1] Cc1cnn(c1)-c1ccc(cc1NC(=O)N(C)C[*:1])S(N)(=O)=O
Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NC(=O)N(C)Cc2ccsc2)c1 NS(=O)(=O)[*:1] Cc1cnn(c1)-c1ccc(cc1NC(=O)N(C)Cc1ccsc1)[*:1]
Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NC(=O)N(C)Cc2ccsc2)c1 c1cc(cs1)C[*:1] Cc1cnn(c1)-c1ccc(cc1NC(=O)N(C)[*:1])S(N)(=O)=O
C[C@@H](C(=O)NN)[C@@H](C)n1c(=O)oc2ccc([N+](=O)[O-])cc21 NNC(=O)[*:1] C[C@H]([C@H](C)[*:1])n1c(=O)oc2ccc(cc21)[N+](=O)[O-]
C[C@@H](C(=O)NN)[C@@H](C)n1c(=O)oc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] C[C@@H](C(=O)NN)[C@@H](C)n1c(=O)oc2ccc(cc21)[*:1]
O=Cc1ccc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 O=Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)CNC(=O)[*:1])c1cccnc1
O=Cc1ccc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 c1cncc(c1)[*:1] O=Cc1ccc(cc1)C(=O)NCc1ccc(cc1)NC(=O)[*:1]
O=Cc1ccc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 O=C(N[*:1])c1cccnc1 O=Cc1ccc(cc1)C(=O)NCc1ccc(cc1)[*:1]
O=C(NC[C@@]1(O)CCCN(C(=O)c2cnccn2)CC1)N1CCOCC1 c1cnc(cn1)[*:1] O=C(NC[C@@]1(O)CCCN(CC1)C(=O)[*:1])N1CCOCC1
Cc1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)c1 Cc1cccc(c1)N[*:1] Cc1ccc2c(c(cnc2n1)C(=O)N1CCCC[C@H]1C)[*:1]
Cc1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)c1 C[C@@H]1CCCCN1C(=O)[*:1] Cc1cccc(c1)Nc1c(cnc2nc(C)ccc12)[*:1]
Cc1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)c1 Cc1cccc(c1)[*:1] Cc1ccc2c(N[*:1])c(cnc2n1)C(=O)N1CCCC[C@H]1C
Cc1cc(C)cc([C@H](C)[NH2+][C@H](CCO)C2CC2)c1 C1CC1[*:1] Cc1cc(C)cc(c1)[C@H](C)[NH2+][C@H](CCO)[*:1]
Cc1cc(C)cc([C@H](C)[NH2+][C@H](CCO)C2CC2)c1 OCC[*:1] Cc1cc(C)cc(c1)[C@H](C)[NH2+][C@H](C1CC1)[*:1]
C#CCN(C(=O)CC1([NH3+])CCC1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] [NH3+]C1(CCC1)CC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1C1CC1 C1C[C@H](CO1)O[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ccc(cc2)[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1C1CC1 C1C[C@H](CO1)[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ccc(cc2)O[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1C1CC1 CC[C@@H](C)[*:1] O=C(Nc1ccc(cc1)O[C@@H]1CCOC1)c1cnn(c1C1CC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ccc(cc2)O[C@@H]2CCOC2)c1[*:1]
CN(CCOc1ccccc1)C(=O)Nc1ccc(F)cc1Br c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)Nc1ccc(F)cc1Br
CN(CCOc1ccccc1)C(=O)Nc1ccc(F)cc1Br c1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)Nc1ccc(F)cc1Br
CSc1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CSc1cccc(c1)NC(=O)CSC[*:1]
O=C(Nc1cncc2ccccc12)N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(Nc1cncc2ccccc12)N1CCCC[C@@H]1[*:1]
O=C(Nc1cncc2ccccc12)N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(Nc1cncc2ccccc12)N1CCCC[C@H]1C[*:1]
O=[N+]([O-])c1c(N2CCOCC2)ncnc1-n1nnc2ccccc21 C1CN(CCO1)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])-n1nnc2ccccc21
O=[N+]([O-])c1c(N2CCOCC2)ncnc1-n1nnc2ccccc21 O=[N+]([O-])[*:1] c1ccc2c(c1)nnn2-c1ncnc(c1[*:1])N1CCOCC1
COC(=O)[C@@H](c1ccc(F)cc1)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] COC(=O)[C@@H](c1ccc(F)cc1)N1CCC(CC1)OC[*:1]
COC(=O)[C@@H](c1ccc(F)cc1)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] COC(=O)[C@@H](c1ccc(F)cc1)N1CCC(CC1)O[*:1]
COC(=O)[C@@H](c1ccc(F)cc1)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)CO[*:1] COC(=O)[C@@H](c1ccc(F)cc1)N1CCC(CC1)[*:1]
COC(=O)[C@@H](c1ccc(F)cc1)N1CCC(OC[C@H]2CCCO2)CC1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H](N1CCC(CC1)OC[C@H]1CCCO1)[*:1]
COC(=O)[C@@H](c1ccc(F)cc1)N1CCC(OC[C@H]2CCCO2)CC1 COC(=O)[*:1] Fc1ccc(cc1)[C@@H](N1CCC(CC1)OC[C@H]1CCCO1)[*:1]
CCOc1ccccc1NC(=O)C(=O)NCc1cccnc1 c1cncc(c1)[*:1] CCOc1ccccc1NC(=O)C(=O)NC[*:1]
CCOc1ccccc1NC(=O)C(=O)NCc1cccnc1 CCO[*:1] O=C(NCc1cccnc1)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] CCOc1ccccc1NC(=O)C(=O)N[*:1]
CCc1ccsc1CNC(=O)c1csc(C#CCN)c1 NCC#C[*:1] CCc1ccsc1CNC(=O)c1csc(c1)[*:1]
COc1cccc(F)c1[C@H](Br)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] COc1cccc(F)c1[C@H](Br)[C@@H](C)[*:1]
CC[C@H](CO)Nc1nc2nnnn2c2sc3c(c12)CCN(Cc1ccccc1)C3 c1ccc(cc1)[*:1] CC[C@H](CO)Nc1nc2nnnn2c2sc3CN(CCc3c12)C[*:1]
CC[C@H](CO)Nc1nc2nnnn2c2sc3c(c12)CCN(Cc1ccccc1)C3 c1ccc(cc1)C[*:1] CC[C@H](CO)Nc1nc2nnnn2c2sc3CN(CCc3c12)[*:1]
C[C@@H](CNC(=O)Nc1ccc(CN2CCCC2=O)cc1)C[NH+]1CCCC1 O=C1CCCN1[*:1] C[C@@H](CNC(=O)Nc1ccc(cc1)C[*:1])C[NH+]1CCCC1
C[C@@H](CNC(=O)Nc1ccc(CN2CCCC2=O)cc1)C[NH+]1CCCC1 O=C1CCCN1C[*:1] C[C@@H](CNC(=O)Nc1ccc(cc1)[*:1])C[NH+]1CCCC1
Cc1c(C(=O)[O-])cnc2nc(CO)nn12 O=C([O-])[*:1] Cc1c(cnc2nc(CO)nn12)[*:1]
C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 c1ccc(cc1)OCC[*:1] C[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1)[*:1]
C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 c1ccc(cc1)OC[*:1] C[C@H](C[*:1])C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1
C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 c1ccc(cc1)[*:1] C[C@H](CCO[*:1])C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1
C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 CN1CCN(CC1)C(=O)[*:1] C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@@H]1[*:1]
C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 c1ccc(cc1)O[*:1] C[C@H](CC[*:1])C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1
COC(=O)Cc1ccc(CN2C[C@H](c3ccccc3)OCC2(C)C)s1 c1ccc(cc1)[*:1] COC(=O)Cc1ccc(CN2C[C@H](OCC2(C)C)[*:1])s1
COC(=O)Cc1ccc(CN2C[C@H](c3ccccc3)OCC2(C)C)s1 COC(=O)[*:1] CC1(C)CO[C@H](CN1Cc1ccc(C[*:1])s1)c1ccccc1
COC(=O)Cc1ccc(CN2C[C@H](c3ccccc3)OCC2(C)C)s1 COC(=O)C[*:1] CC1(C)CO[C@H](CN1Cc1ccc(s1)[*:1])c1ccccc1
COc1cc(C#N)ccc1OCCONC(=O)C1CCCC1 C1CCC(C1)[*:1] COc1cc(C#N)ccc1OCCONC(=O)[*:1]
CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 CCc1ccc(cc1)N[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)c1n[nH]nc1[*:1]
CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 CCc1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)c1n[nH]nc1N[*:1]
CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 COc1cccc(c1)[*:1] CCc1ccc(cc1)Nc1n[nH]nc1C(=O)N1CCN(CC1)[*:1]
CC(C)[C@](C)([NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC(C)[C@](C)([NH3+])[C@H]1CCC[C@H](C1)[*:1]
CC(C)[C@](C)([NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)[*:1] C[C@]([NH3+])([C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CCCCNC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C CCCCNC(=O)[*:1] Cc1nn(C[*:1])c(C)c1S(=O)(=O)N(C)C
CCCCNC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C CCC[*:1] Cc1nn(CC(=O)NC[*:1])c(C)c1S(=O)(=O)N(C)C
CCCCNC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C CCCC[*:1] Cc1nn(CC(=O)N[*:1])c(C)c1S(=O)(=O)N(C)C
CCCCNC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C CN(C)S(=O)(=O)[*:1] CCCCNC(=O)Cn1nc(C)c(c1C)[*:1]
C[C@@H]1CC[C@H](C(=O)O[C@H](C(F)(F)F)C(C)(C)c2ccccc2)O1 FC(F)(F)[*:1] C[C@@H]1CC[C@@H](O1)C(=O)O[C@H](C(C)(C)c1ccccc1)[*:1]
C[C@@H]1CC[C@H](C(=O)O[C@H](C(F)(F)F)C(C)(C)c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CC[C@@H](O1)C(=O)O[C@H](C(F)(F)F)C(C)(C)[*:1]
COc1ccc([C@]2(C)N(O)[C@H](C)C(c3ccccc3)=[N+]2[O-])cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@]1(C)N(O)[C@H](C)C(=[N+]1[O-])[*:1]
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@H]1NC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@H]1NC[*:1]
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@H]1NC/C(Cl)=C/Cl O=C([O-])[*:1] Cl/C=C(\Cl)CN[C@H]1[C@H]([C@H]2CC[C@@H]1C2)[*:1]
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@H]1NC/C(Cl)=C/Cl Cl/C=C(\Cl)C[*:1] O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@H]1N[*:1]
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)[C@@H]2C[C@H]2c2ccccc2)n1 Cc1cccc(C[*:1])n1 Cc1cccc(CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[*:1])n1
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)[C@@H]2C[C@H]2c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cccc(CN(Cc2cccc(C)n2)C(=O)[C@@H]2C[C@@H]2[*:1])n1
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)[C@@H]2C[C@H]2c2ccccc2)n1 Cc1cccc(n1)[*:1] Cc1cccc(CN(C[*:1])C(=O)[C@@H]2C[C@H]2c2ccccc2)n1
Cc1ccncc1NC(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 Cc1ccncc1[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)-n1ccnn1
Cc1ccncc1NC(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] Cc1ccncc1NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
O=C(/C=C/c1cccc(F)c1)NCC[NH+]1CCc2ccccc2C1 Fc1cccc(c1)[*:1] O=C(C=C[*:1])NCC[NH+]1CCc2ccccc2C1
CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCS(=O)(=O)c3ccccc3)ccc21 O=S(=O)(C[*:1])c1ccccc1 CCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)C[*:1]
CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCS(=O)(=O)c3ccccc3)ccc21 c1ccc(cc1)[*:1] CCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)CCS(=O)(=O)[*:1]
CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCS(=O)(=O)c3ccccc3)ccc21 O=S(=O)(c1ccccc1)[*:1] CCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)CC[*:1]
CC(C)c1ocnc1C[NH+](CCO)Cc1ccc(Cl)c(Cl)c1 OCC[*:1] CC(C)c1ocnc1C[NH+](Cc1ccc(Cl)c(Cl)c1)[*:1]
CC(C)c1ocnc1C[NH+](CCO)Cc1ccc(Cl)c(Cl)c1 CC(C)[*:1] OCC[NH+](Cc1ccc(Cl)c(Cl)c1)Cc1ncoc1[*:1]
O=C(CC1CCCC1)NC[C@@H]1CC(=O)N(c2ccccc2)C1 C1CCC(C1)[*:1] O=C(C[*:1])NC[C@@H]1CC(=O)N(C1)c1ccccc1
O=C(CC1CCCC1)NC[C@@H]1CC(=O)N(c2ccccc2)C1 C1CCC(C1)C[*:1] O=C1C[C@@H](CNC(=O)[*:1])CN1c1ccccc1
O=C(CC1CCCC1)NC[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CC1CCCC1)NC[C@@H]1CC(=O)N(C1)[*:1]
Cc1sc2nc(SCC(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)n(C)c(=O)c2c1C Clc1ccc(c(Cl)c1)[*:1] Cc1sc2nc(SCC(=O)N[C@@H](C)[*:1])n(C)c(=O)c2c1C
COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1NC(=O)[C@H]1CCCC[C@@H]1[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F CC(=O)N[*:1] COc1ccc(cc1NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)[*:1]
N=C1NC(=O)N(C2CC2)[C@@]12CCOC2 C1CC1[*:1] N=C1NC(=O)N([C@@]12CCOC2)[*:1]
Cc1nn(C[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(=S)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C[NH+]2CCN(CC2)[C@@H]2CCS(=O)(=O)C2)c(=S)n1[*:1]
Cc1nn(C[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(=S)n1-c1ccccc1 O=S1(=O)CC[C@H](C1)[*:1] Cc1nn(C[NH+]2CCN(CC2)[*:1])c(=S)n1-c1ccccc1
CO/C([O-])=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1cccs1 c1csc(c1)[*:1] CO/C([O-])=C1\C(C)=NC2C[C@@H](CC(=O)C=2[C@H]1[*:1])c1ccccc1OC
CO/C([O-])=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1cccs1 COc1ccccc1[*:1] CO/C([O-])=C1\C(C)=NC2C[C@H](CC(=O)C=2[C@@H]1c1cccs1)[*:1]
O=[N+]([O-])c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1 c1ccc(nc1)[*:1] O=[N+]([O-])c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
O=[N+]([O-])c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1NCc1ccccn1)[*:1]
O=[N+]([O-])c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(NCc2ccccn2)c(c1)[*:1]
O=C1NC(=O)[C@H](CCC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)N1 Clc1ccc(cc1)[*:1] O=C1NC(=O)[C@H](CCC(=O)N2CCN(CCO[*:1])CC2)N1
O=C1NC(=O)[C@H](CCC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)N1 Clc1ccc(cc1)OC[*:1] O=C1NC(=O)[C@H](CCC(=O)N2CCN(CC2)C[*:1])N1
O=C1NC(=O)[C@H](CCC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)N1 Clc1ccc(cc1)O[*:1] O=C1NC(=O)[C@H](CCC(=O)N2CCN(CC2)CC[*:1])N1
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 Clc1ccc(cc1)O[*:1] CC(C)(C(=O)N1CCN(CC1)Cc1nc2ccccc2c(=O)[nH]1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)N1CCN(CC1)Cc1nc2ccccc2c(=O)[nH]1
COc1cccc(CN(C)C(=O)CNC(=O)c2cccc(Br)c2)c1 COc1cccc(c1)[*:1] CN(C[*:1])C(=O)CNC(=O)c1cccc(Br)c1
COc1cccc(CN(C)C(=O)CNC(=O)c2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] COc1cccc(c1)CN(C)C(=O)CNC(=O)[*:1]
CCC[C@@H](C)C(=O)Nc1ccc(CC(N)=O)cc1 NC(=O)C[*:1] CCC[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCC[C@@H](C)C(=O)Nc1ccc(CC(N)=O)cc1 CCC[C@@H](C)[*:1] NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CCC[C@@H](C)C(=O)Nc1ccc(CC(N)=O)cc1 CCC[*:1] C[C@@H](C(=O)Nc1ccc(cc1)CC(N)=O)[*:1]
CCC[C@@H](C)C(=O)Nc1ccc(CC(N)=O)cc1 NC(=O)[*:1] CCC[C@@H](C)C(=O)Nc1ccc(cc1)C[*:1]
C[C@H](C(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc2ccccc2c1 C1CN(CCO1)C[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])c1ccc2ccccc2c1
C[C@H](C(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc2ccccc2c1 C1CN(CCO1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)C[*:1])c1ccc2ccccc2c1
CCN[C@@H](c1[nH+]ccn1C)C(C)(C)[NH+]1CCCCCC1 CCN[*:1] Cn1cc[nH+]c1[C@@H](C(C)(C)[NH+]1CCCCCC1)[*:1]
Cc1nc(N2CCC[C@@H]2c2nc3ccccc3s2)cc(CN(C)C)[nH+]1 CN(C)[*:1] Cc1nc(cc(C[*:1])[nH+]1)N1CCC[C@@H]1c1nc2ccccc2s1
Cc1nc(N2CCC[C@@H]2c2nc3ccccc3s2)cc(CN(C)C)[nH+]1 CN(C)C[*:1] Cc1nc(cc([nH+]1)[*:1])N1CCC[C@@H]1c1nc2ccccc2s1
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N[C@@H](C)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)n1 C[C@@H](c1ccccc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N[*:1]
C[C@H](OC(=O)C1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 C1CCC(C1)[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
C[C@H](OC(=O)C1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](OC(=O)C1CCCC1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@](C)(NC(=O)[C@H](C)Cc1ccccc1F)C(=O)OC Fc1ccccc1[*:1] CC[C@](C)(NC(=O)[C@H](C)C[*:1])C(=O)OC
CC[C@](C)(NC(=O)[C@H](C)Cc1ccccc1F)C(=O)OC COC(=O)[*:1] CC[C@](C)(NC(=O)[C@H](C)Cc1ccccc1F)[*:1]
Cc1ccccc1OCC[NH+]1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] Cc1ccccc1OCC[NH+]1CCC(CC1)[*:1]
Cc1ccccc1OCC[NH+]1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] Cc1ccccc1OCC[NH+]1CCC(CC1)C[*:1]
Cn1c(=O)n(C/C([O-])=N/S(=O)(=O)c2ccc(F)cc2)c2ccccc21 Fc1ccc(cc1)[*:1] Cn1c(=O)n(C/C([O-])=N/S(=O)(=O)[*:1])c2ccccc21
C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1Br CS(=O)(=O)[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])c1ccccc1Br
C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1Br Brc1ccccc1[*:1] C[C@H](NC(=O)c1cccc(c1)S(C)(=O)=O)[*:1]
C[C@@H]1CCCN(C(=O)NC2(CC(=O)[O-])CCC2)[C@@H]1C O=C([O-])[*:1] C[C@@H]1CCCN(C(=O)NC2(CCC2)C[*:1])[C@@H]1C
C[C@@H]1CCCN(C(=O)NC2(CC(=O)[O-])CCC2)[C@@H]1C O=C([O-])C[*:1] C[C@@H]1CCCN(C(=O)NC2(CCC2)[*:1])[C@@H]1C
Cn1cc(C#N)cc1C(=O)Nc1ccccc1N1CCCCCC1 C1CCCN(CC1)[*:1] Cn1cc(C#N)cc1C(=O)Nc1ccccc1[*:1]
Cn1cc(C#N)cc1C(=O)Nc1ccccc1N1CCCCCC1 Cn1cc(C#N)cc1[*:1] O=C(Nc1ccccc1N1CCCCCC1)[*:1]
COC[C@H](NC(=O)NCc1nc(C)c(C)o1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)NCc1nc(C)c(C)o1)[*:1]
COC[C@H](NC(=O)NCc1nc(C)c(C)o1)c1ccc(F)c(F)c1 COC[*:1] Cc1nc(CNC(=O)N[C@H](c2ccc(F)c(F)c2)[*:1])oc1C
COC[C@H](NC(=O)NCc1nc(C)c(C)o1)c1ccc(F)c(F)c1 Cc1nc(C[*:1])oc1C COC[C@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)NCc1nc(C)c(C)o1)c1ccc(F)c(F)c1 Cc1nc(oc1C)[*:1] COC[C@H](NC(=O)NC[*:1])c1ccc(F)c(F)c1
Cc1cccc(C)c1-n1nnnc1S[C@@H](C)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] Cc1cccc(C)c1-n1nnnc1S[C@@H](C)C(=O)N[*:1]
Cc1cccc(C)c1-n1nnnc1S[C@@H](C)C(=O)Nc1cccc(C#N)c1 Cc1cccc(C)c1[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)Nc1cccc(C#N)c1
O=C(CCc1ccccc1)NC[C@](O)(c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] O=C(CC[*:1])NC[C@](O)(c1ccccc1)C(F)(F)F
O=C(CCc1ccccc1)NC[C@](O)(c1ccccc1)C(F)(F)F c1ccc(cc1)C[*:1] O=C(C[*:1])NC[C@](O)(c1ccccc1)C(F)(F)F
O=C(CCc1ccccc1)NC[C@](O)(c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] O=C(CCc1ccccc1)NC[C@](O)(C(F)(F)F)[*:1]
O=C(CCc1ccccc1)NC[C@](O)(c1ccccc1)C(F)(F)F FC(F)(F)[*:1] O=C(CCc1ccccc1)NC[C@](O)(c1ccccc1)[*:1]
O=C(CCc1ccccc1)NC[C@](O)(c1ccccc1)C(F)(F)F c1ccc(cc1)CC[*:1] O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[*:1]
O=C(C[C@H]1CSc2nccc(=O)n21)NCc1cc(-c2ccc(Cl)cc2)on1 Clc1ccc(cc1)[*:1] O=C(C[C@H]1CSc2nccc(=O)n21)NCc1cc(on1)[*:1]
O=C(NCC[NH+]1CCOCC1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F FC(F)(F)[*:1] O=C(NCC[NH+]1CCOCC1)c1cnn2c1N[C@H](C[C@@H]2[*:1])c1cccs1
O=C(NCC[NH+]1CCOCC1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F c1csc(c1)[*:1] O=C(NCC[NH+]1CCOCC1)c1cnn2c1N[C@@H](C[C@H]2C(F)(F)F)[*:1]
Cc1nc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)sc1C c1ccc(cc1)[*:1] Cc1nc(C[NH2+][C@@H](C(=O)[O-])[*:1])sc1C
Cc1nc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)sc1C O=C([O-])[*:1] Cc1nc(C[NH2+][C@@H](c2ccccc2)[*:1])sc1C
CCN(CC)c1nc2ccccc2nc1C(=O)Nc1ccc(C)c(F)c1 CCN(CC)[*:1] Cc1ccc(cc1F)NC(=O)c1nc2ccccc2nc1[*:1]
CCN(CC)c1nc2ccccc2nc1C(=O)Nc1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CCN(CC)c1nc2ccccc2nc1C(=O)N[*:1]
COCCNCc1cc(=O)nc([C@H]2CN(C)CCO2)[nH]1 COCCN[*:1] CN1CCO[C@H](C1)c1nc(=O)cc(C[*:1])[nH]1
COCCNCc1cc(=O)nc([C@H]2CN(C)CCO2)[nH]1 COC[*:1] CN1CCO[C@H](C1)c1nc(=O)cc(CNC[*:1])[nH]1
COCCNCc1cc(=O)nc([C@H]2CN(C)CCO2)[nH]1 COCCNC[*:1] CN1CCO[C@H](C1)c1nc(=O)cc([nH]1)[*:1]
COCCNCc1cc(=O)nc([C@H]2CN(C)CCO2)[nH]1 COCC[*:1] CN1CCO[C@H](C1)c1nc(=O)cc(CN[*:1])[nH]1
CC1(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)Cc2ccccc2C1 c1ccc(cc1)[*:1] CC1(Cc2ccccc2C1)NC(=O)[C@@H]1C[C@H]1[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(C)(C)C)cc3)CC2=O)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(C)(C)C)cc3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc([C@H](N[C@@H](C)c2cnc3cc(C)nn3c2C)c2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)[C@H](N[C@@H](C)c1cnc2cc(C)nn2c1C)[*:1]
Cc1cccc([C@H](N[C@@H](C)c2cnc3cc(C)nn3c2C)c2ccccn2)c1 Cc1cccc(c1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)N[C@H](c1ccccn1)[*:1]
CCc1nc(CNc2cc([C@H]3CCN3C(C)=O)[nH+]c(C)n2)no1 CCc1nc(no1)[*:1] CC(=O)N1CC[C@@H]1c1cc(nc(C)[nH+]1)NC[*:1]
O=C(c1ccc(COc2ccccc2)cc1)N1CCC[C@H]1c1cccs1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)CO[*:1])N1CCC[C@H]1c1cccs1
O=C(c1ccc(COc2ccccc2)cc1)N1CCC[C@H]1c1cccs1 c1ccc(cc1)O[*:1] O=C(c1ccc(cc1)C[*:1])N1CCC[C@H]1c1cccs1
O=C(c1ccc(COc2ccccc2)cc1)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(c1ccc(cc1)COc1ccccc1)N1CCC[C@@H]1[*:1]
O=C(c1ccc(COc2ccccc2)cc1)N1CCC[C@H]1c1cccs1 c1ccc(cc1)OC[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H]1c1cccs1
CC(C)CN(C)C(=O)NCCOCC(F)(F)F FC(F)(F)C[*:1] CC(C)CN(C)C(=O)NCCO[*:1]
CC(C)CN(C)C(=O)NCCOCC(F)(F)F CC(C)C[*:1] CN(C(=O)NCCOCC(F)(F)F)[*:1]
CC(C)CN(C)C(=O)NCCOCC(F)(F)F FC(F)(F)[*:1] CC(C)CN(C)C(=O)NCCOC[*:1]
CC(C)CN(C)C(=O)NCCOCC(F)(F)F CC(C)[*:1] CN(C[*:1])C(=O)NCCOCC(F)(F)F
Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(CC1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(c2ccc(Cl)cn2)CC1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)N1CCN(CC1)c1ccc(Cl)cn1)[*:1]
O=C(COc1ccccc1C(F)(F)F)c1c[nH]c2ccccc12 FC(F)(F)[*:1] O=C(COc1ccccc1[*:1])c1c[nH]c2ccccc12
C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 NC(=O)c1ccc(cc1)[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)Cc1ccc(Cl)s1
C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)C(N)=O)[NH+]1CCN(CC1)C[*:1]
C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(C[*:1])s1 C[C@H](C(=O)Nc1ccc(cc1)C(N)=O)[NH+]1CCN(CC1)[*:1]
C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 NC(=O)[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])[NH+]1CCN(CC1)Cc1ccc(Cl)s1
C[C@@H](CC(=O)N(C)[C@H](C)Cc1ccsc1)NC(=O)C1CCCCC1 c1cc(cs1)[*:1] C[C@@H](CC(=O)N(C)[C@H](C)C[*:1])NC(=O)C1CCCCC1
C[C@@H](CC(=O)N(C)[C@H](C)Cc1ccsc1)NC(=O)C1CCCCC1 c1cc(cs1)C[*:1] C[C@@H](CC(=O)N(C)[C@H](C)[*:1])NC(=O)C1CCCCC1
C[C@@H](CC(=O)N(C)[C@H](C)Cc1ccsc1)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](CC(=O)N(C)[C@H](C)Cc1ccsc1)NC(=O)[*:1]
C[C@@H](CC(=O)N(C)[C@H](C)Cc1ccsc1)NC(=O)C1CCCCC1 C[C@H](Cc1ccsc1)[*:1] C[C@@H](CC(=O)N(C)[*:1])NC(=O)C1CCCCC1
Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)CC3CCCC3)CC2)cc1F C1CCC(C1)C[*:1] Cc1ccc(cc1F)C(=O)N1CCN(CC1)C(=O)[C@@H](C)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)CC3CCCC3)CC2)cc1F C1CCC(C1)[*:1] Cc1ccc(cc1F)C(=O)N1CCN(CC1)C(=O)[C@@H](C)C[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)CC3CCCC3)CC2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](CC1CCCC1)C(=O)N1CCN(CC1)C(=O)[*:1]
C[C@@H]1[NH+]=c2ccccc2=C1CCNC(=O)NC(=O)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@@H]1[NH+]=c2ccccc2=C1CCNC(=O)NC(=O)[*:1]
O=C(CCc1ncc(-c2ccccc2)o1)Nc1n[nH]c(-c2ccoc2)n1 c1cc(co1)[*:1] O=C(CCc1ncc(o1)-c1ccccc1)Nc1n[nH]c(n1)[*:1]
O=C(CCc1ncc(-c2ccccc2)o1)Nc1n[nH]c(-c2ccoc2)n1 c1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])Nc1n[nH]c(n1)-c1ccoc1
Cc1nc2ccc(NC(=O)NCCNC(=O)c3cccnc3)cc2o1 c1cncc(c1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)NCCNC(=O)[*:1]
Cn1cc(C(=O)N2CCCCC2)cc(NC(=O)c2cc(=O)c3ccccc3o2)c1=O O=C(N1CCCCC1)[*:1] Cn1cc(cc(NC(=O)c2cc(=O)c3ccccc3o2)c1=O)[*:1]
CCCCOC(=O)c1ccc([N-]C2=NC=NC3=NC=N[C@H]32)cc1 CCC[*:1] O=C(OC[*:1])c1ccc(cc1)[N-]C1=NC=NC2=NC=N[C@H]21
CCCCOC(=O)c1ccc([N-]C2=NC=NC3=NC=N[C@H]32)cc1 CCCCOC(=O)[*:1] C1=NC2=NC=N[C@H]2C(=N1)[N-]c1ccc(cc1)[*:1]
CCCCOC(=O)c1ccc([N-]C2=NC=NC3=NC=N[C@H]32)cc1 CCCC[*:1] O=C(O[*:1])c1ccc(cc1)[N-]C1=NC=NC2=NC=N[C@H]21
C[C@@H](NC(=O)NC1CC1)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] C[C@@H](NC(=O)NC1CC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)NC1CC1)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@@H](NC(=O)NC1CC1)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H](NC(=O)NC1CC1)c1ccc(cc1)NC(=O)N[*:1]
C[C@@H](NC(=O)NC1CC1)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] C[C@@H](c1ccc(cc1)NC(=O)NC1CC1)[*:1]
C[C@@H]1CN(Cc2c[nH]nc2C(C)(C)C)C[C@@H](C(N)=O)O1 CC(C)(C)[*:1] C[C@@H]1CN(Cc2c[nH]nc2[*:1])C[C@H](O1)C(N)=O
C[C@@H]1CN(Cc2c[nH]nc2C(C)(C)C)C[C@@H](C(N)=O)O1 NC(=O)[*:1] C[C@@H]1CN(Cc2c[nH]nc2C(C)(C)C)C[C@@H](O1)[*:1]
CO[C@H]1CCC[C@@H]1OC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 C[C@@H]1C[C@H]1[*:1] CO[C@H]1CCC[C@@H]1OC(=O)/C=C/c1ccc(o1)[*:1]
CO[C@H]1CCC[C@@H]1OC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 CO[C@H]1CCC[C@H]1[*:1] C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)O[*:1])o1
Cc1noc(C2CCN(C(=O)[C@H]3C[C@H]4CC[C@@H]3O4)CC2)n1 Cc1noc(n1)[*:1] O=C([C@H]1C[C@H]2CC[C@@H]1O2)N1CCC(CC1)[*:1]
O=C(NCCc1ccco1)c1cn(-c2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] O=C(NCCc1ccco1)c1cn(nc1-c1cccnc1)[*:1]
O=C(NCCc1ccco1)c1cn(-c2ccccc2)nc1-c1cccnc1 c1coc(c1)[*:1] O=C(NCC[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
O=C(NCCc1ccco1)c1cn(-c2ccccc2)nc1-c1cccnc1 c1coc(c1)C[*:1] O=C(NC[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
O=C(NCCc1ccco1)c1cn(-c2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] O=C(NCCc1ccco1)c1cn(nc1[*:1])-c1ccccc1
O=C(NCCc1ccco1)c1cn(-c2ccccc2)nc1-c1cccnc1 c1coc(c1)CC[*:1] O=C(N[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
C[C@H](C1CC1)N(C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)C1CC1 C1CC1[*:1] C[C@H](C1CC1)N(C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
C[C@H](C1CC1)N(C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)C1CC1 C1CC1[*:1] C[C@H](N(C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)C1CC1 C[C@H](C1CC1)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N(C1CC1)[*:1]
CCS(=O)(=O)C(C(C)C)S(=O)(=O)CC CC(C)[*:1] CCS(=O)(=O)C(S(=O)(=O)CC)[*:1]
COc1cn(CC(=O)Nc2ccccc2C)c(CSc2nccc(C)n2)cc1=O Cc1ccnc(n1)S[*:1] COc1cn(CC(=O)Nc2ccccc2C)c(cc1=O)C[*:1]
COc1cn(CC(=O)Nc2ccccc2C)c(CSc2nccc(C)n2)cc1=O Cc1ccccc1[*:1] COc1cn(CC(=O)N[*:1])c(cc1=O)CSc1nccc(C)n1
COc1cn(CC(=O)Nc2ccccc2C)c(CSc2nccc(C)n2)cc1=O Cc1ccnc(n1)[*:1] COc1cn(CC(=O)Nc2ccccc2C)c(cc1=O)CS[*:1]
COc1cn(CC(=O)Nc2ccccc2C)c(CSc2nccc(C)n2)cc1=O Cc1ccnc(n1)SC[*:1] COc1cn(CC(=O)Nc2ccccc2C)c(cc1=O)[*:1]
CN1CCO[C@H](Cn2cc(C(=O)[O-])ccc2=O)C1 O=C([O-])[*:1] CN1CCO[C@@H](C1)Cn1cc(ccc1=O)[*:1]
Cc1ccc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)s1 Cc1ccc(s1)[*:1] CN(C[*:1])C1CC[NH+](CCc2ccccn2)CC1
Cc1ccc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)s1 Cc1ccc(C[*:1])s1 CN(C1CC[NH+](CCc2ccccn2)CC1)[*:1]
Cc1ccc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)s1 c1ccc(C[*:1])nc1 Cc1ccc(CN(C)C2CC[NH+](CC2)C[*:1])s1
Cc1ccc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)s1 c1ccc(nc1)[*:1] Cc1ccc(CN(C)C2CC[NH+](CC2)CC[*:1])s1
CC[NH+](CC)CC(=O)N1CCN(Cc2cn(-c3ccccc3)nc2C)CC1 c1ccc(cc1)[*:1] CC[NH+](CC)CC(=O)N1CCN(CC1)Cc1cn(nc1C)[*:1]
C[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCCCC2)c1)C[NH+]1CCCC1 C1CCN(CC1)[*:1] C[C@@H](CNC(=O)C(=O)Nc1cccc(c1)[*:1])C[NH+]1CCCC1
CS(=O)(=O)c1ccc(CN2CCCC[C@H]2c2ccc(F)cc2)cc1 CS(=O)(=O)[*:1] Fc1ccc(cc1)[C@@H]1CCCCN1Cc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(CN2CCCC[C@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)CN1CCCC[C@@H]1[*:1]
CCC(CC)c1nnc(NC(=O)c2ccc(C[NH+](C)C)cc2)s1 CCC(CC)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)Nc1nnc(s1)[*:1]
CCN(CC)C(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 CCN(CC)C(=O)[*:1] O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(cc1)[*:1]
Cc1csc(NC(=O)COC(=O)c2ccc(Cl)s2)n1 Cc1csc(n1)[*:1] O=C(COC(=O)c1ccc(Cl)s1)N[*:1]
Cc1csc(NC(=O)COC(=O)c2ccc(Cl)s2)n1 Clc1ccc(s1)[*:1] Cc1csc(n1)NC(=O)COC(=O)[*:1]
COc1cc2c(=O)[nH]c(Cc3ccccc3)nc2c(OC)c1OC c1ccc(cc1)C[*:1] COc1cc2c(=O)[nH]c(nc2c(OC)c1OC)[*:1]
COc1cc2c(=O)[nH]c(Cc3ccccc3)nc2c(OC)c1OC c1ccc(cc1)[*:1] COc1cc2c(=O)[nH]c(C[*:1])nc2c(OC)c1OC
O=C([O-])CNC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)N1C(=O)N=C2C=CC=C[C@@H]2C1=O O=C([O-])C[*:1] O=C(N[*:1])[C@@H](CC1C[NH+]=c2ccccc2=1)N1C(=O)N=C2C=CC=C[C@@H]2C1=O
O=C([O-])CNC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)N1C(=O)N=C2C=CC=C[C@@H]2C1=O O=C([O-])[*:1] O=C(NC[*:1])[C@@H](CC1C[NH+]=c2ccccc2=1)N1C(=O)N=C2C=CC=C[C@@H]2C1=O
O=C([O-])CNC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)N1C(=O)N=C2C=CC=C[C@@H]2C1=O O=C([O-])CNC(=O)[*:1] O=C1N=C2C=CC=C[C@@H]2C(=O)N1[C@H](CC1C[NH+]=c2ccccc2=1)[*:1]
CCOc1ccccc1OC(=O)COc1ccc(C)cc1C CCO[*:1] Cc1ccc(OCC(=O)Oc2ccccc2[*:1])c(C)c1
CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C(=O)[O-] CC(C)C[*:1] O=C([O-])[C@H](CNc1ccc(nc1)[N+](=O)[O-])[*:1]
CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](CNc1ccc(nc1)[N+](=O)[O-])[*:1]
CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C(=O)[O-] O=[N+]([O-])[*:1] CC(C)C[C@@H](CNc1ccc(nc1)[*:1])C(=O)[O-]
CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H](CNc1ccc(nc1)[N+](=O)[O-])C[*:1]
O=C(C[C@H]1OC(=O)c2ccccc21)NC1(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)NC1(CC1)[*:1]
COc1ccc(/C(N)=N/OC(=O)Cc2ccccc2[N+](=O)[O-])cc1 COc1ccc(cc1)[*:1] N/C(=N\OC(=O)Cc1ccccc1[N+](=O)[O-])[*:1]
COc1ccc(/C(N)=N/OC(=O)Cc2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)/C(N)=N/OC(=O)Cc1ccccc1[*:1]
O=C(N/N=C/c1cccc2c1OCCO2)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(N/N=C/c1cccc2OCCOc12)c1ccc(cc1)C[*:1]
O=C(N/N=C/c1cccc2c1OCCO2)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=C(N/N=C/c1cccc2OCCOc12)c1ccc(cc1)[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)NCc1ccc(OC(C)C)nc1 CC(C)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)NCc1ccc(nc1)O[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)NCc1ccc(OC(C)C)nc1 CC(C)O[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)NCc1ccc(nc1)[*:1]
O=C(C[NH+]1CCC(c2nnc(-c3ccco3)o2)CC1)c1ccc(Cl)cc1 c1coc(c1)[*:1] O=C(C[NH+]1CCC(CC1)c1nnc(o1)[*:1])c1ccc(Cl)cc1
O=C(C[NH+]1CCC(c2nnc(-c3ccco3)o2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)c1nnc(o1)-c1ccco1)[*:1]
NC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 NC(=O)[*:1] O=C(C[NH+]1CCC(CC1)C[*:1])Nc1ccccc1Br
NC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 NC(=O)C[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1ccccc1Br
NC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 Brc1ccccc1[*:1] NC(=O)CC1CC[NH+](CC1)CC(=O)N[*:1]
O=C1N[C@@]2(CCCc3sccc32)C(=O)N1C[C@@H](O)COc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1N[C@@]2(CCCc3sccc32)C(=O)N1C[C@@H](O)CO[*:1]
O=C1N[C@@]2(CCCc3sccc32)C(=O)N1C[C@@H](O)COc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] O=C1N[C@@]2(CCCc3sccc32)C(=O)N1C[C@@H](O)C[*:1]
O=C1N[C@@]2(CCCc3sccc32)C(=O)N1C[C@@H](O)COc1ccc(F)cc1 Fc1ccc(cc1)OC[*:1] O=C1N[C@@]2(CCCc3sccc32)C(=O)N1C[C@@H](O)[*:1]
O=C(CCn1cncn1)Nc1nc(-c2ccc3ccccc3c2)cs1 c1ncn(CC[*:1])n1 O=C(Nc1nc(cs1)-c1ccc2ccccc2c1)[*:1]
O=C(CCn1cncn1)Nc1nc(-c2ccc3ccccc3c2)cs1 c1ncn(C[*:1])n1 O=C(C[*:1])Nc1nc(cs1)-c1ccc2ccccc2c1
O=C(CCn1cncn1)Nc1nc(-c2ccc3ccccc3c2)cs1 c1ncn(n1)[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1ccc2ccccc2c1
O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc(-c2ccc(Br)cc2)o1 C1CN(CCO1)[*:1] O=C(Nc1ccccc1C(=O)NCC[*:1])c1ccc(o1)-c1ccc(Br)cc1
O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc(-c2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc(o1)[*:1]
O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc(-c2ccc(Br)cc2)o1 C1CN(CCO1)C[*:1] O=C(Nc1ccccc1C(=O)NC[*:1])c1ccc(o1)-c1ccc(Br)cc1
O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc(-c2ccc(Br)cc2)o1 C1CN(CCO1)CC[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1ccc(o1)-c1ccc(Br)cc1
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc(F)cc1)c1ccccc1 c1cncc(c1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(F)cc1)[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc(F)cc1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@H](c2ccc(F)cc2)N1c1cccnc1)[*:1]
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(F)cc2)N1c1cccnc1
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CC(F)(F)F FC(F)(F)C[*:1] Cc1nc(sc1[C@@H](C)N(C)C(=O)[*:1])C(C)C
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CC(F)(F)F FC(F)(F)[*:1] Cc1nc(sc1[C@@H](C)N(C)C(=O)C[*:1])C(C)C
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CC(F)(F)F CC(C)[*:1] Cc1nc(sc1[C@@H](C)N(C)C(=O)CC(F)(F)F)[*:1]
CC(C)(C)[NH+]1CCN([C@@H]2CC[C@@]([NH3+])(CO)C2)CC1 CC(C)(C)[*:1] [NH3+][C@@]1(CO)CC[C@H](C1)N1CC[NH+](CC1)[*:1]
Cc1ccc(NC(=O)CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 Cc1ccc(cc1)[*:1] O=C(CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)N[*:1]
O=C(c1cccc(F)c1)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 Fc1ccc(cc1)[*:1] O=C(c1cccc(F)c1)N([C@H]1C=CS(=O)(=O)C1)[*:1]
O=C(c1cccc(F)c1)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 Fc1cccc(c1)[*:1] O=C(N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1)[*:1]
COc1cc(C)c(C[NH+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1C O=C(N[*:1])c1cccnc1 COc1cc(C)c(cc1C)C[NH+]1CCc2nnc(CC[*:1])n2CC1
COc1cc(C)c(C[NH+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1C COc1cc(C)c(cc1C)[*:1] O=C(NCCc1nnc2CC[NH+](CCn12)C[*:1])c1cccnc1
COc1cc(C)c(C[NH+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1C O=C(NC[*:1])c1cccnc1 COc1cc(C)c(cc1C)C[NH+]1CCc2nnc(C[*:1])n2CC1
COc1cc(C)c(C[NH+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1C c1cncc(c1)[*:1] COc1cc(C)c(cc1C)C[NH+]1CCc2nnc(CCNC(=O)[*:1])n2CC1
Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H]1CN(CCO1)c1ccc(c[nH+]1)CNS(=O)(=O)[*:1]
N#CCCCN1CCC(=O)Nc2cc(F)ccc21 N#CCCC[*:1] O=C1CCN(c2ccc(F)cc2N1)[*:1]
N#CCCCN1CCC(=O)Nc2cc(F)ccc21 N#CC[*:1] O=C1CCN(CC[*:1])c2ccc(F)cc2N1
N#CCCCN1CCC(=O)Nc2cc(F)ccc21 N#CCC[*:1] O=C1CCN(C[*:1])c2ccc(F)cc2N1
C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 CC(C)(C)[*:1] C[NH+](C)[C@@H]1CCCN(C1)C(=O)N[C@H]1CCCN(C1)C(=O)O[*:1]
C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2ccccc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)N(CCO)Cc1ccccc1
C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2ccccc2)CN1c1ccccc1 OCC[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)N(Cc1ccccc1)[*:1]
C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2ccccc2)CN1c1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)N(CCO)[*:1]
C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2ccccc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)N(CCO)C[*:1]
Cc1cccc(NC(=O)NCC(=O)N[C@@H](C)c2c(C)noc2C)c1 Cc1noc(C)c1[*:1] Cc1cccc(c1)NC(=O)NCC(=O)N[C@@H](C)[*:1]
Cc1cccc(NC(=O)NCC(=O)N[C@@H](C)c2c(C)noc2C)c1 Cc1cccc(c1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)CNC(=O)N[*:1]
CCC(=O)NCCc1csc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 C1CC(C1)[*:1] CCC(=O)NCCc1csc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
CCC(=O)NCCc1csc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 CCC(=O)NCC[*:1] O=C(C1CCC1)N1CCC[C@@H](C1)c1nc(cs1)[*:1]
CCC(=O)NCCc1csc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 CCC(=O)N[*:1] O=C(C1CCC1)N1CCC[C@@H](C1)c1nc(cs1)CC[*:1]
CCC(=O)NCCc1csc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 CCC(=O)NC[*:1] O=C(C1CCC1)N1CCC[C@@H](C1)c1nc(cs1)C[*:1]
O=C(NCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CCNC(=O)[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
COc1ccc(C[C@@H](C(=O)[O-])[C@H]2CCC[C@H](OC)C2)cc1 O=C([O-])[*:1] COc1ccc(cc1)C[C@@H]([C@H]1CCC[C@@H](C1)OC)[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 COC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(Cl)c(Cl)c1)c1cccs1
COCCN1C(=O)C([O-])=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 c1csc(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(Cl)c(Cl)c1
COCCN1C(=O)C([O-])=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 COCC[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(Cl)c(Cl)c1)[*:1])c1cccs1
COCCN1C(=O)C([O-])=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 O=C(c1cccs1)[*:1] COCCN1C(=O)C([O-])=C([C@@H]1c1ccc(Cl)c(Cl)c1)[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2cccs2)[C@H]1[*:1]
CCOCc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 c1cc(co1)[*:1] CCOCc1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CCOCc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 CCOC[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)C(=O)c1ccoc1
CCOCc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)C[*:1])C1CCN(CC1)C(=O)c1ccoc1
C=CCN(C(=O)CN1C(=O)CSc2ccccc21)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C=CCN(C(=O)CN1C(=O)CSc2ccccc21)c1nc(cs1)[*:1]
C=CCN(C(=O)CN1C(=O)CSc2ccccc21)c1nc(-c2ccccc2)cs1 C=CC[*:1] O=C1CSc2ccccc2N1CC(=O)N(c1nc(cs1)-c1ccccc1)[*:1]
CC1(C)CC[C@H](NC(=O)NC[C@@H](O)C2CCOCC2)c2ccccc21 O[C@@H](C1CCOCC1)[*:1] CC1(C)CC[C@H](NC(=O)NC[*:1])c2ccccc21
CC1(C)CC[C@H](NC(=O)NC[C@@H](O)C2CCOCC2)c2ccccc21 C1CC(CCO1)[*:1] CC1(C)CC[C@H](NC(=O)NC[C@@H](O)[*:1])c2ccccc21
Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] Cc1n[nH]cc1C(=O)N1CCC[C@H](C1)c1nc(ncc1[*:1])N(C)C
Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 CN(C)[*:1] Cc1n[nH]cc1C(=O)N1CCC[C@H](C1)c1nc(ncc1-c1cccc(F)c1)[*:1]
C[C@@H](C(=O)Nc1cccc(Cl)c1)[C@@H]1Sc2ccccc2NC1=O Clc1cccc(c1)[*:1] C[C@@H](C(=O)N[*:1])[C@@H]1Sc2ccccc2NC1=O
C[C@H](CCCO)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 OCCC[*:1] C[C@H]([NH2+]Cc1csc(n1)-c1ccc(F)cc1)[*:1]
C[C@H](CCCO)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 OCC[*:1] C[C@H](C[*:1])[NH2+]Cc1csc(n1)-c1ccc(F)cc1
Cc1cccn2cc(CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)o3)nc12 O=S(=O)(N1CCOCC1)[*:1] Cc1cccn2cc(CSc3nnc(o3)-c3cccc(c3)[*:1])nc12
Cc1cccn2cc(CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)o3)nc12 Cc1cccn2cc(nc12)[*:1] O=S(=O)(c1cccc(c1)-c1nnc(o1)SC[*:1])N1CCOCC1
O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](CCCO)CC1 OCCC[*:1] O=C(c1ccc2OCCOc2c1)C1CC[NH+](CC1)[*:1]
O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](CCCO)CC1 OCC[*:1] O=C(c1ccc2OCCOc2c1)C1CC[NH+](CC1)C[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(c2nccc(OCc3ccccc3)n2)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)c1nccc(n1)OCc1ccccc1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(c2nccc(OCc3ccccc3)n2)C1 c1ccc(cc1)CO[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)c1nccc(n1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(c2nccc(OCc3ccccc3)n2)C1 COC(=O)C(C)(C)[*:1] c1ccc(cc1)COc1ccnc(n1)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(c2nccc(OCc3ccccc3)n2)C1 c1ccc(cc1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)c1nccc(n1)OC[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(c2nccc(OCc3ccccc3)n2)C1 c1ccc(cc1)C[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)c1nccc(n1)O[*:1]
Cc1ccc(OC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cn1 Cc1ccc(cn1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)N1CCC(CC1)O[*:1]
Cc1ccc(OC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cn1 Cc1ccc(cn1)O[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)N1CCC(CC1)[*:1]
Cc1ccc(OC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cn1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(cn1)OC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N(C)CC(=O)[O-] CC(C)[*:1] Cc1nc([nH]c(=O)c1C(=O)N(C)CC(=O)[O-])[*:1]
Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N(C)CC(=O)[O-] O=C([O-])C[*:1] Cc1nc([nH]c(=O)c1C(=O)N(C)[*:1])C(C)C
Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N(C)CC(=O)[O-] O=C([O-])[*:1] Cc1nc([nH]c(=O)c1C(=O)N(C)C[*:1])C(C)C
CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CCn1c(nc2cc(ccc21)[*:1])S[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl
CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2cc(S(N)(=O)=O)ccc21 Clc1cccc(c1Cl)[*:1] CCn1c(nc2cc(ccc21)S(N)(=O)=O)S[C@@H](C)C(=O)N[*:1]
O=C(NCC1(Sc2ccccc2)CCCC1)N(CCO)C1CC1 OCC[*:1] O=C(NCC1(CCCC1)Sc1ccccc1)N(C1CC1)[*:1]
O=C(NCC1(Sc2ccccc2)CCCC1)N(CCO)C1CC1 c1ccc(cc1)[*:1] O=C(NCC1(CCCC1)S[*:1])N(CCO)C1CC1
O=C(NCC1(Sc2ccccc2)CCCC1)N(CCO)C1CC1 c1ccc(cc1)S[*:1] O=C(NCC1(CCCC1)[*:1])N(CCO)C1CC1
O=C(NCC1(Sc2ccccc2)CCCC1)N(CCO)C1CC1 C1CC1[*:1] O=C(NCC1(CCCC1)Sc1ccccc1)N(CCO)[*:1]
COc1ccc(CCC(=O)Nc2ccc(C)cn2)cc1OC Cc1ccc(nc1)[*:1] COc1ccc(cc1OC)CCC(=O)N[*:1]
O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)N=C(O)N1c1ccccc1 Fc1ccc(cc1)[*:1] O=C1/C(=C\c2ccc(o2)[*:1])N=C(O)N1c1ccccc1
O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)N=C(O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1/C(=C\c2ccc(o2)-c2ccc(F)cc2)N=C(O)N1[*:1]
COC(=O)[C@H](c1ccccc1F)N1CCN(CC(F)(F)C(F)F)CC1 COC(=O)[*:1] Fc1ccccc1[C@H](N1CCN(CC1)CC(F)(F)C(F)F)[*:1]
COC(=O)[C@H](c1ccccc1F)N1CCN(CC(F)(F)C(F)F)CC1 FC(F)[*:1] COC(=O)[C@H](c1ccccc1F)N1CCN(CC1)CC(F)(F)[*:1]
COC(=O)[C@H](c1ccccc1F)N1CCN(CC(F)(F)C(F)F)CC1 Fc1ccccc1[*:1] COC(=O)[C@H](N1CCN(CC1)CC(F)(F)C(F)F)[*:1]
COC(=O)[C@H](c1ccccc1F)N1CCN(CC(F)(F)C(F)F)CC1 FC(F)C(F)(F)[*:1] COC(=O)[C@H](c1ccccc1F)N1CCN(CC1)C[*:1]
COC(=O)[C@H](c1ccccc1F)N1CCN(CC(F)(F)C(F)F)CC1 FC(F)C(F)(F)C[*:1] COC(=O)[C@H](c1ccccc1F)N1CCN(CC1)[*:1]
Cc1cc(C)nc(N(C#N)CC(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)N(C#N)CC(=O)[*:1]
O=C(OCc1cc2ccccc2o1)c1ccc(N2CCNC2=O)cc1 O=C1NCCN1[*:1] O=C(OCc1cc2ccccc2o1)c1ccc(cc1)[*:1]
CC(=O)c1c(C)nc(C)nc1SCc1ccc(-n2cccn2)cc1 CC(=O)[*:1] Cc1nc(C)c(c(n1)SCc1ccc(cc1)-n1cccn1)[*:1]
CC(=O)c1c(C)nc(C)nc1SCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CC(=O)c1c(C)nc(C)nc1SCc1ccc(cc1)[*:1]
CCCc1c(C(=O)NCCc2ccc3c(c2)CCO3)[nH]c(C)c1C(C)=O CCC[*:1] CC(=O)c1c(C)[nH]c(C(=O)NCCc2ccc3OCCc3c2)c1[*:1]
CCCc1c(C(=O)NCCc2ccc3c(c2)CCO3)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCCc1c([nH]c(C)c1[*:1])C(=O)NCCc1ccc2OCCc2c1
Cc1c(CCC(=O)NCc2ccc3c(c2)OCO3)c(C(=O)N2CCN(C)CC2)c(C)n1C c1cc2OCOc2cc1[*:1] Cc1c(CCC(=O)NC[*:1])c(C(=O)N2CCN(C)CC2)c(C)n1C
Cc1c(CCC(=O)NCc2ccc3c(c2)OCO3)c(C(=O)N2CCN(C)CC2)c(C)n1C c1cc2OCOc2cc1C[*:1] Cc1c(CCC(=O)N[*:1])c(C(=O)N2CCN(C)CC2)c(C)n1C
Cc1c(CCC(=O)NCc2ccc3c(c2)OCO3)c(C(=O)N2CCN(C)CC2)c(C)n1C CN1CCN(CC1)C(=O)[*:1] Cc1c(CCC(=O)NCc2ccc3OCOc3c2)c(c(C)n1C)[*:1]
c1ccc(Cc2ccc(OCCN3CCOCC3)cc2)cc1 c1ccc(cc1)[*:1] c1cc(ccc1C[*:1])OCCN1CCOCC1
c1ccc(Cc2ccc(OCCN3CCOCC3)cc2)cc1 c1ccc(cc1)C[*:1] c1cc(ccc1OCCN1CCOCC1)[*:1]
c1ccc(Cc2ccc(OCCN3CCOCC3)cc2)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)Cc1ccc(cc1)OCC[*:1]
c1ccc(Cc2ccc(OCCN3CCOCC3)cc2)cc1 C1CN(CCO1)C[*:1] c1ccc(cc1)Cc1ccc(cc1)OC[*:1]
Cc1nc2c(c(NCCCOc3cccnc3)n1)C[NH2+]C2 c1cncc(c1)[*:1] Cc1nc2C[NH2+]Cc2c(n1)NCCCO[*:1]
Cc1nc2c(c(NCCCOc3cccnc3)n1)C[NH2+]C2 c1cncc(c1)O[*:1] Cc1nc2C[NH2+]Cc2c(n1)NCCC[*:1]
CC(C)C(=O)Oc1ccc2c(c1)ncn2C CC(C)[*:1] Cn1cnc2cc(ccc21)OC(=O)[*:1]
N#CCN(C(=O)c1ncccc1C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] N#CCN(C(=O)c1ncccc1C(F)(F)F)[*:1]
N#CCN(C(=O)c1ncccc1C(F)(F)F)c1ccccc1 N#CC[*:1] O=C(c1ncccc1C(F)(F)F)N(c1ccccc1)[*:1]
N#CCN(C(=O)c1ncccc1C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] N#CCN(C(=O)c1ncccc1[*:1])c1ccccc1
C[C@@]1(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)CCCO1 C[C@]1(CCCO1)[*:1] O[C@H](C[NH2+]C[*:1])c1ccc(Cl)cc1
CN1CCN(S(=O)(=O)c2cccc(NC(=O)/C=C/c3cccc(F)c3)c2)CC1 Fc1cccc(C=C[*:1])c1 CN1CCN(CC1)S(=O)(=O)c1cccc(c1)NC(=O)[*:1]
CN1CCN(S(=O)(=O)c2cccc(NC(=O)/C=C/c3cccc(F)c3)c2)CC1 Fc1cccc(c1)[*:1] CN1CCN(CC1)S(=O)(=O)c1cccc(c1)NC(=O)C=C[*:1]
CC[C@H](CO)N1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 FC(F)(F)[*:1] CC[C@H](CO)N1CC[NH+](CC1)Cc1ccc(F)cc1[*:1]
CC[C@H](CO)N1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 CC[C@H](CO)[*:1] Fc1ccc(C[NH+]2CCN(CC2)[*:1])c(c1)C(F)(F)F
CCN(C)C(=O)c1cccc(C(=O)N(C)[C@@H]2C[C@](C)(OC)C2(C)C)c1 CCN(C)C(=O)[*:1] CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cccc(c2)[*:1])C1(C)C
CC(C)n1ncc2cc(C[NH+]3CCC(c4nncn4C)CC3)c(Cl)nc21 Cn1cnnc1[*:1] CC(C)n1ncc2cc(C[NH+]3CCC(CC3)[*:1])c(Cl)nc21
CC(C)n1ncc2cc(C[NH+]3CCC(c4nncn4C)CC3)c(Cl)nc21 CC(C)[*:1] Cn1cnnc1C1CC[NH+](CC1)Cc1cc2cnn(c2nc1Cl)[*:1]
CCCN(C(=O)c1cccc(Br)n1)c1ccc(Cl)cc1 CCC[*:1] O=C(c1cccc(Br)n1)N(c1ccc(Cl)cc1)[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C2CCCCC2)cc1 CS(=O)(=O)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC[C@@H]1C1CCCCC1
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C2CCCCC2)cc1 C1CCC(CC1)[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1[*:1]
O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)[C@@H]([NH+]1CCN(CC1)c1ccccc1[N+](=O)[O-])[*:1]
O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(CC1)[*:1]
O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 O=C(Nc1ccccc1)[*:1] O=[N+]([O-])c1ccccc1N1CC[NH+](CC1)[C@H](c1ccccc1)[*:1]
O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(CC1)c1ccccc1[*:1]
O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H](c1ccccc1)[NH+]1CCN(CC1)c1ccccc1[N+](=O)[O-]
COc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)n2)cc1Cl Cc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)c1nnn(n1)[*:1]
Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)o1 Cc1ccc(C[*:1])o1 O=C(N[*:1])[C@H]1CCC(=O)N(Cc2cccc(c2)C(F)(F)F)C1
Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)o1 Cc1ccc(o1)[*:1] O=C(NC[*:1])[C@H]1CCC(=O)N(Cc2cccc(c2)C(F)(F)F)C1
Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)o1 FC(F)(F)[*:1] Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3cccc(c3)[*:1])C2)o1
COc1cccc(C(=O)N2CCN(C(=O)Cn3cnc4ccccc43)CC2)c1 COc1cccc(c1)[*:1] O=C(Cn1cnc2ccccc21)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)Cn3cnc4ccccc43)CC2)c1 c1ccc2c(c1)ncn2[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)C[*:1]
CC(C)n1nnnc1SCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 CC(C)[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1nnnn1[*:1]
CC(C)n1nnnc1SCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CC(C)n1nnnc1SCC(=O)N(C)[C@H](C)[*:1]
CC(C)n1nnnc1SCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 CC(C)n1nnnc1[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CS[*:1]
Cn1cc[nH+]c1CN(CCO)C(=O)[C@@H]1CC2(CC[NH2+]CC2)CN1 OCC[*:1] Cn1cc[nH+]c1CN(C(=O)[C@@H]1CC2(CC[NH2+]CC2)CN1)[*:1]
Cn1cc[nH+]c1CN(CCO)C(=O)[C@@H]1CC2(CC[NH2+]CC2)CN1 Cn1cc[nH+]c1C[*:1] O=C([C@@H]1CC2(CC[NH2+]CC2)CN1)N(CCO)[*:1]
CCOc1cccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)c1 Cc1nnc(s1)[*:1] CCOc1cccc(c1)[C@@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1[*:1]
CCOc1cccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)c1 CCOc1cccc(c1)[*:1] Cc1nnc(s1)N1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1[*:1]
CCOc1cccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)c1 CCO[*:1] Cc1nnc(s1)N1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cccc(c1)[*:1]
CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@H](OC)C2)c1 CCNC(=O)[*:1] CO[C@@H]1CCCN(C1)C(=O)NCc1cccc(c1)[*:1]
CC(C)N(C)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C)C(=O)N[C@@H](c1ccc(Br)cc1)[*:1]
CC(C)N(C)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 CC(C)[*:1] CN(C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)[*:1]
Cn1cc([C@H](O)CNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)cn1 Cn1cc(cn1)[*:1] O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H](O)[*:1]
CCc1nnc(CS(=O)(=O)CC(=O)Nc2ccc(C)cc2)n1C Cc1ccc(cc1)[*:1] CCc1nnc(CS(=O)(=O)CC(=O)N[*:1])n1C
CC(C)CC[C@H]1N=NC2=C1CN(C(=O)[C@H]1C=Cc3nnnn3C1)CC2 CC(C)CC[*:1] O=C([C@H]1C=Cc2nnnn2C1)N1CCC2N=N[C@@H](C=2C1)[*:1]
CC(C)CC[C@H]1N=NC2=C1CN(C(=O)[C@H]1C=Cc3nnnn3C1)CC2 CC(C)C[*:1] O=C([C@H]1C=Cc2nnnn2C1)N1CCC2N=N[C@H](C[*:1])C=2C1
CC(C)CC[C@H]1N=NC2=C1CN(C(=O)[C@H]1C=Cc3nnnn3C1)CC2 CC(C)[*:1] O=C([C@H]1C=Cc2nnnn2C1)N1CCC2N=N[C@H](CC[*:1])C=2C1
COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)[C@H]1CCCCCN1S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC[C@@H]1[*:1]
O=C(NCCS(=O)(=O)NCC1CCC1)c1cc2c(s1)CCCC2 C1CC(C1)[*:1] O=C(NCCS(=O)(=O)NC[*:1])c1cc2CCCCc2s1
O=C(NCCS(=O)(=O)NCC1CCC1)c1cc2c(s1)CCCC2 C1CC(C1)C[*:1] O=C(NCCS(=O)(=O)N[*:1])c1cc2CCCCc2s1
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] O=C([O-])[*:1] C[C@@H]1[C@H](CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-])[*:1]
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)c1c(Cl)cccc1[*:1])C(=O)[O-]
Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1nccnc1C(N)=O Cc1ccccc1[*:1] CC(C)C[C@@H](NC(=O)c1nccnc1C(N)=O)[*:1]
Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1nccnc1C(N)=O NC(=O)[*:1] Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1nccnc1[*:1]
Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1nccnc1C(N)=O CC(C)C[*:1] Cc1ccccc1[C@@H](NC(=O)c1nccnc1C(N)=O)[*:1]
Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1nccnc1C(N)=O CC(C)[*:1] Cc1ccccc1[C@@H](C[*:1])NC(=O)c1nccnc1C(N)=O
CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 CCC[C@@H](C)[*:1] O=C(N[*:1])[C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1
CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc(O)ccc2[*:1])C1
CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 CCC[*:1] C[C@@H](NC(=O)[C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 CCC[C@@H](C)NC(=O)[*:1] O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H](C1)[*:1]
COc1cc(OC)c(C(=O)COc2ccc(C)cc2N)cc1OC Cc1ccc(c(N)c1)[*:1] COc1cc(OC)c(cc1OC)C(=O)CO[*:1]
C[C@@H]1CCc2c(C(=O)NNc3ccc(F)cc3)csc2C1 Fc1ccc(cc1)[*:1] C[C@@H]1CCc2c(csc2C1)C(=O)NN[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H]1CCOc2ccccc21 Cc1n[nH]c(C)c1[*:1] O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@H]1[*:1]
Cc1ccc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)cc1Cl c1csc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)CSc1ccc2nnc(n2n1)[*:1]
Cc1ccc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(CSc1ccc2nnc(-c3cccs3)n2n1)N[*:1]
Cc1ccccc1-n1nnnc1SCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 Cc1ccccc1[*:1] O=C(CSc1nnnn1[*:1])N1c2ccccc2OC[C@H]1c1ccccc1
Cc1ccccc1-n1nnnc1SCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1-n1nnnc1SCC(=O)N1c2ccccc2OC[C@@H]1[*:1]
CCOC(=O)Cc1csc(NC(=O)c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] CCOC(=O)Cc1csc(n1)NC(=O)c1ccc(cc1)[*:1]
CCOC(=O)Cc1csc(NC(=O)c2ccc(C(F)(F)F)cc2)n1 CCOC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])c1ccc(cc1)C(F)(F)F
CCOC(=O)Cc1csc(NC(=O)c2ccc(C(F)(F)F)cc2)n1 CCOC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(cc1)C(F)(F)F
COc1ccccc1[C@H](NC(=O)NCc1ccccn1)c1ccccn1 COc1ccccc1[*:1] O=C(NCc1ccccn1)N[C@H](c1ccccn1)[*:1]
COc1ccccc1[C@H](NC(=O)NCc1ccccn1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)NC[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)NCc1ccccn1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)NCc1ccccn1)[*:1]
COc1ccccc1[C@H](NC(=O)NCc1ccccn1)c1ccccn1 c1ccc(C[*:1])nc1 COc1ccccc1[C@H](NC(=O)N[*:1])c1ccccn1
Cc1cccc(C(=O)[O-])c1NC(=O)Cc1ccccc1 O=C([O-])[*:1] Cc1cccc(c1NC(=O)Cc1ccccc1)[*:1]
Cc1cccc(C(=O)[O-])c1NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C(=O)[O-])c1NC(=O)C[*:1]
O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(Nc1ccc(cc1)-c1nc2ncccc2o1)[*:1]
O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)-c1nc2ncccc2o1)c1ccc(o1)[*:1]
FC(F)(F)c1ccc2nnc(-c3cccnc3)n2c1 FC(F)(F)[*:1] c1cncc(c1)-c1nnc2ccc(cn12)[*:1]
FC(F)(F)c1ccc2nnc(-c3cccnc3)n2c1 c1cncc(c1)[*:1] FC(F)(F)c1ccc2nnc(n2c1)[*:1]
Cc1ccc(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 Cc1ccc(C[*:1])s1 c1cc2OCOc2cc1CN1CC[NH+](CC1)[C@@H]1CCCN(C1)[*:1]
Cc1ccc(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 Cc1ccc(s1)[*:1] c1cc2OCOc2cc1CN1CC[NH+](CC1)[C@@H]1CCCN(C1)C[*:1]
Cc1ccc(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 c1cc2OCOc2cc1[*:1] Cc1ccc(CN2CCC[C@H](C2)[NH+]2CCN(CC2)C[*:1])s1
COC(=O)C1(NC(=O)[C@@H]2CCCc3sccc32)CCSCC1 COC(=O)[*:1] O=C(NC1(CCSCC1)[*:1])[C@@H]1CCCc2sccc21
CCN(C(=O)CN1CCN(CC(=O)NC(C)C)CC1)C1CC1 CC(C)NC(=O)[*:1] CCN(C(=O)CN1CCN(CC1)C[*:1])C1CC1
CCN(C(=O)CN1CCN(CC(=O)NC(C)C)CC1)C1CC1 CC(C)NC(=O)C[*:1] CCN(C(=O)CN1CCN(CC1)[*:1])C1CC1
CCN(C(=O)CN1CCN(CC(=O)NC(C)C)CC1)C1CC1 CC(C)[*:1] CCN(C(=O)CN1CCN(CC1)CC(=O)N[*:1])C1CC1
CCN(C(=O)CN1CCN(CC(=O)NC(C)C)CC1)C1CC1 C1CC1[*:1] CCN(C(=O)CN1CCN(CC1)CC(=O)NC(C)C)[*:1]
O=C(N[C@H]1CCSc2ccccc21)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] O=C(N[C@H]1CCSc2ccccc21)c1cnc(s1)[*:1]
CC[C@H](C#N)OC(=O)c1cc(F)ccc1I CC[C@H](C#N)[*:1] O=C(O[*:1])c1cc(F)ccc1I
CC(C)(CNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)[*:1]
CC(C)(CNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)c1ccncc1 Fc1ccc(F)c(c1)[*:1] CC(C)(CNC(=O)N1C[C@@H](O)C[C@@H]1[*:1])c1ccncc1
CC(C)(CNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NC[*:1])N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F
COC(=O)c1ccccc1N(C)C(=O)[C@@H]1CSc2nccc(=O)n2C1 COC(=O)[*:1] CN(C(=O)[C@@H]1CSc2nccc(=O)n2C1)c1ccccc1[*:1]
CCN(C[C@@H]1CCOC1)C(=O)N[C@H](C)c1cc(C)sc1C C1C[C@H](CO1)[*:1] CCN(C[*:1])C(=O)N[C@H](C)c1cc(C)sc1C
CCN(C[C@@H]1CCOC1)C(=O)N[C@H](C)c1cc(C)sc1C Cc1cc(c(C)s1)[*:1] CCN(C[C@@H]1CCOC1)C(=O)N[C@H](C)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)N[C@H](C)c1cc(C)sc1C C1C[C@H](CO1)C[*:1] CCN(C(=O)N[C@H](C)c1cc(C)sc1C)[*:1]
CC(=O)c1ccc(OCc2cc(Cl)c3c(c2)OCCO3)cc1F CC(=O)[*:1] Fc1cc(ccc1[*:1])OCc1cc(Cl)c2OCCOc2c1
O=C(/N=C1/NCCS1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O c1ccc(cc1)C[*:1] O=C(/N=C1/NCCS1)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
O=C(/N=C1/NCCS1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O c1ccc(cc1)[*:1] O=C(/N=C1/NCCS1)[C@H](C[*:1])N1C(=O)c2ccccc2C1=O
CCOc1ccccc1CCC(=O)N1CCOC[C@@H]1C(N)=O CCO[*:1] NC(=O)[C@H]1COCCN1C(=O)CCc1ccccc1[*:1]
CCOc1ccccc1CCC(=O)N1CCOC[C@@H]1C(N)=O NC(=O)[*:1] CCOc1ccccc1CCC(=O)N1CCOC[C@H]1[*:1]
CCC(CC)NC(=O)N[C@H](C)Cc1ccco1 c1coc(c1)[*:1] CCC(CC)NC(=O)N[C@H](C)C[*:1]
CCC(CC)NC(=O)N[C@H](C)Cc1ccco1 CCC(CC)[*:1] C[C@H](Cc1ccco1)NC(=O)N[*:1]
CCCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 CCCNC(=O)[*:1] O=C(/C=C/c1ccc(F)cc1)N1CCN(CC1)C[*:1]
CCCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 CCCNC(=O)C[*:1] O=C(/C=C/c1ccc(F)cc1)N1CCN(CC1)[*:1]
CCCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCCNC(=O)CN1CCN(CC1)C(=O)C=C[*:1]
CCCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 CCC[*:1] O=C(CN1CCN(CC1)C(=O)/C=C/c1ccc(F)cc1)N[*:1]
C/C(=C/C(=O)N1CCN(C(C)C)CC1)c1ccc(F)cc1F CC(C)[*:1] C/C(=C/C(=O)N1CCN(CC1)[*:1])c1ccc(F)cc1F
O=C(NCc1cccs1)Nc1ccnn1C1CCCCC1 c1csc(c1)[*:1] O=C(NC[*:1])Nc1ccnn1C1CCCCC1
O=C(NCc1cccs1)Nc1ccnn1C1CCCCC1 c1csc(c1)C[*:1] O=C(Nc1ccnn1C1CCCCC1)N[*:1]
O=C(NCc1cccs1)Nc1ccnn1C1CCCCC1 C1CCC(CC1)[*:1] O=C(NCc1cccs1)Nc1ccnn1[*:1]
CN(CCc1ccccn1)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)[C@@H]1CCC(=O)N(C1)C1CC1
CN(CCc1ccccn1)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 C1CC1[*:1] CN(CCc1ccccn1)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
CN(CCc1ccccn1)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)[C@@H]1CCC(=O)N(C1)C1CC1
CCCc1nc(SC)ncc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 CCC[*:1] CSc1ncc(C(=O)N2CCN(CC2)c2ccc(Cl)cc2)c(n1)[*:1]
CCCc1nc(SC)ncc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCCc1nc(ncc1C(=O)N1CCN(CC1)[*:1])SC
CC1(C)Oc2ccc(C(=O)N3CCc4ccccc4C3)cc2N(Cc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CC1(C)Oc2ccc(cc2N(C[*:1])C1=O)C(=O)N1CCc2ccccc2C1
CC1(C)Oc2ccc(C(=O)N3CCc4ccccc4C3)cc2N(Cc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)C[*:1] CC1(C)Oc2ccc(cc2N(C1=O)[*:1])C(=O)N1CCc2ccccc2C1
C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC(CO)CO)cc2)C1 OCC(CO)[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccc(cc2)CNC(=O)N[*:1])C1
C[NH2+][C@@H]1[C@H](SC(C)C)CCC1(C)C CC(C)S[*:1] C[NH2+][C@@H]1[C@H](CCC1(C)C)[*:1]
C[NH2+][C@@H]1[C@H](SC(C)C)CCC1(C)C CC(C)[*:1] C[NH2+][C@@H]1[C@@H](CCC1(C)C)S[*:1]
C[NH2+][C@H]1COC[C@@H]1C(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] C[NH2+][C@H]1COC[C@@H]1C(=O)N(C)[C@H](C)C[*:1]
C[NH2+][C@H]1COC[C@@H]1C(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] C[NH2+][C@H]1COC[C@@H]1C(=O)N(C)[C@H](C)[*:1]
CN(CC(C)(CO)CO)C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] CN(CC(C)(CO)CO)C(=O)N[*:1]
CN(CC(C)(CO)CO)C(=O)Nc1ccncc1 CC(CO)(CO)[*:1] CN(C[*:1])C(=O)Nc1ccncc1
C[C@@H](C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1)n1cccn1 C1CCC(CC1)[*:1] C[C@@H](C(=O)N(Cc1ccc2OCOc2c1)[*:1])n1cccn1
C[C@@H](C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N(Cc1ccc2OCOc2c1)C1CCCCC1)[*:1]
COc1ccc(N(CN2C(=O)CC[C@H]2C(=O)[O-])C(C)=O)cc1 O=C([O-])[*:1] COc1ccc(cc1)N(CN1C(=O)CC[C@@H]1[*:1])C(C)=O
CC(C)c1noc(CCN[C@@H](C)c2ccc3c(c2)OCCO3)n1 CC(C)[*:1] C[C@H](NCCc1nc(no1)[*:1])c1ccc2OCCOc2c1
CC[C@H](C)CN(C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 CC[C@H](C)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N(C)C[*:1]
CC[C@H](C)CN(C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 CC[C@H](C)C[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N(C)[*:1]
Cc1cccc(Oc2ncccc2NC(=O)c2cn3c(C)cccc3n2)c1C Cc1cccc(O[*:1])c1C Cc1cccc2nc(cn12)C(=O)Nc1cccnc1[*:1]
Cc1cccc(Oc2ncccc2NC(=O)c2cn3c(C)cccc3n2)c1C Cc1cccc(c1C)[*:1] Cc1cccc2nc(cn12)C(=O)Nc1cccnc1O[*:1]
CN(Cc1cc(-c2cccnc2)no1)C[C@]1(O)CC[NH2+]C1 c1cncc(c1)[*:1] CN(Cc1cc(no1)[*:1])C[C@]1(O)CC[NH2+]C1
CC1(C)C(C(=O)N(C[C@H]2CCCO2)c2ccncc2)C1(C)C C1CO[C@H](C1)[*:1] CC1(C)C(C(=O)N(C[*:1])c2ccncc2)C1(C)C
CC1(C)C(C(=O)N(C[C@H]2CCCO2)c2ccncc2)C1(C)C CC1(C)C(C1(C)C)[*:1] O=C(N(C[C@H]1CCCO1)c1ccncc1)[*:1]
CC1(C)C(C(=O)N(C[C@H]2CCCO2)c2ccncc2)C1(C)C C1CO[C@H](C1)C[*:1] CC1(C)C(C(=O)N(c2ccncc2)[*:1])C1(C)C
CC1(C)C(C(=O)N(C[C@H]2CCCO2)c2ccncc2)C1(C)C c1cc(ccn1)[*:1] CC1(C)C(C(=O)N(C[C@H]2CCCO2)[*:1])C1(C)C
CN1C(=O)[C@@](O)(CC(=O)c2ccc(N)cc2)c2ccccc21 Nc1ccc(cc1)[*:1] CN1C(=O)[C@@](O)(CC(=O)[*:1])c2ccccc21
O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(CN2CCOCC2)cc1 c1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)N1CCCC1)[*:1])c1ccc(cc1)CN1CCOCC1
O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(CN2CCOCC2)cc1 O=C(N1CCCC1)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])c1ccc(cc1)CN1CCOCC1
O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(cc1)C[*:1]
O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(cc1)[*:1]
C[C@H]([NH2+][C@@H](C)C(C)(C)C)c1nnc2ccccn12 C[C@@H](C(C)(C)C)[*:1] C[C@H]([NH2+][*:1])c1nnc2ccccn12
C[C@H]([NH2+][C@@H](C)C(C)(C)C)c1nnc2ccccn12 CC(C)(C)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1nnc2ccccn12
Cc1ccsc1C[NH2+]Cc1ccn(C2CCCCC2)n1 C1CCC(CC1)[*:1] Cc1ccsc1C[NH2+]Cc1ccn(n1)[*:1]
Cc1ccsc1C[NH2+]Cc1ccn(C2CCCCC2)n1 Cc1ccsc1[*:1] c1cn(nc1C[NH2+]C[*:1])C1CCCCC1
CC(C)CC[C@](C)(O)CNC(=O)N[C@@H]1CCc2cc(F)ccc21 CC(C)[*:1] C[C@](O)(CC[*:1])CNC(=O)N[C@@H]1CCc2cc(F)ccc21
CC(C)CC[C@](C)(O)CNC(=O)N[C@@H]1CCc2cc(F)ccc21 CC(C)CC[*:1] C[C@](O)(CNC(=O)N[C@@H]1CCc2cc(F)ccc21)[*:1]
CC(C)CC[C@](C)(O)CNC(=O)N[C@@H]1CCc2cc(F)ccc21 CC(C)C[*:1] C[C@@](O)(CNC(=O)N[C@@H]1CCc2cc(F)ccc21)C[*:1]
COCCSCc1nc2cc(N)ccc2o1 COCCS[*:1] Nc1ccc2oc(C[*:1])nc2c1
COCCSCc1nc2cc(N)ccc2o1 COCC[*:1] Nc1ccc2oc(CS[*:1])nc2c1
COCCSCc1nc2cc(N)ccc2o1 COC[*:1] Nc1ccc2oc(CSC[*:1])nc2c1
C[C@@H](Oc1ccccc1)C(=O)N/N=C\c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N/N=C\c1ccc(Cl)cc1
C[C@@H](Oc1ccccc1)C(=O)N/N=C\c1ccc(Cl)cc1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)N/N=C\c1ccc(Cl)cc1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N/N=C\c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1)C(=O)NN=C[*:1]
O=C(O[C@H](c1ccccn1)C(F)(F)F)c1ccc(-n2ccnn2)cc1 c1ccc(nc1)[*:1] O=C(O[C@H](C(F)(F)F)[*:1])c1ccc(cc1)-n1ccnn1
O=C(O[C@H](c1ccccn1)C(F)(F)F)c1ccc(-n2ccnn2)cc1 FC(F)(F)[*:1] O=C(O[C@H](c1ccccn1)[*:1])c1ccc(cc1)-n1ccnn1
O=C(O[C@H](c1ccccn1)C(F)(F)F)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(O[C@H](c1ccccn1)C(F)(F)F)c1ccc(cc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccn(C)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccn(C)n2)cc1 Cn1ccc(n1)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)C(=O)N[*:1]
Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1CC(=O)Nc1ccc(Br)cc1 c1cc2OCOc2cc1C[*:1] Nc1c(nnn1CC(=O)Nc1ccc(Br)cc1)C(=O)N[*:1]
Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1CC(=O)Nc1ccc(Br)cc1 c1cc2OCOc2cc1[*:1] Nc1c(nnn1CC(=O)Nc1ccc(Br)cc1)C(=O)NC[*:1]
Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1CC(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Nc1c(nnn1CC(=O)N[*:1])C(=O)NCc1ccc2OCOc2c1
Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1CC(=O)Nc1ccc(Br)cc1 O=C(Nc1ccc(Br)cc1)[*:1] Nc1c(nnn1C[*:1])C(=O)NCc1ccc2OCOc2c1
CN(CC(=O)N1CCOCC1)C(=O)C(C)(C)c1cccc(C#N)c1 O=C(N1CCOCC1)[*:1] CN(C[*:1])C(=O)C(C)(C)c1cccc(C#N)c1
CN(CC(=O)N1CCOCC1)C(=O)C(C)(C)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CN(CC(=O)N1CCOCC1)C(=O)C(C)(C)[*:1]
COC(=O)C1=Nc2nnnn2[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1ccc(OC)c(OC)c1 Clc1ccc(cc1)[*:1] COC(=O)C1=Nc2nnnn2[C@H]([C@H]1C(=O)c1ccc(OC)c(c1)OC)[*:1]
COC(=O)C1=Nc2nnnn2[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1ccc(OC)c(OC)c1 COc1ccc(cc1OC)[*:1] COC(=O)C1=Nc2nnnn2[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)[*:1]
CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC1(c2ccccc2)CCCCC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC1(CCCCC1)[*:1]
CC[C@H](C)Cn1c(C(C)(C)O)nc2ccccc21 CC(C)(O)[*:1] CC[C@H](C)Cn1c(nc2ccccc21)[*:1]
CC[C@H](C)Cn1c(C(C)(C)O)nc2ccccc21 CC[C@H](C)[*:1] CC(C)(O)c1nc2ccccc2n1C[*:1]
CC[C@H](C)Cn1c(C(C)(C)O)nc2ccccc21 CC[C@H](C)C[*:1] CC(C)(O)c1nc2ccccc2n1[*:1]
O=C(Cc1ccc[nH]1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 Fc1ccc(Cl)cc1[*:1] O=C(Cc1ccc[nH]1)N1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccc[nH]1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 c1c[nH]c(c1)C[*:1] O=C(c1cc(Cl)ccc1F)N1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccc[nH]1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 c1c[nH]c(c1)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1cc(Cl)ccc1F
CCC(CC)(NC(=O)N1CCCCCC1)/C(N)=N/O N/C(=N\O)[*:1] CCC(CC)(NC(=O)N1CCCCCC1)[*:1]
O=c1c2c3c(sc2nc(Sc2ccc([N+](=O)[O-])cn2)n1C[C@@H]1CCCO1)CCC3 O=[N+]([O-])[*:1] O=c1c2c3CCCc3sc2nc(Sc2ccc(cn2)[*:1])n1C[C@@H]1CCCO1
O=c1c2c3c(sc2nc(Sc2ccc([N+](=O)[O-])cn2)n1C[C@@H]1CCCO1)CCC3 O=[N+]([O-])c1ccc(nc1)[*:1] O=c1c2c3CCCc3sc2nc(S[*:1])n1C[C@@H]1CCCO1
Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N CC(C)(C)[*:1] Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1cc(sc1C#N)[*:1]
Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N Cc1nn(C)c(C)c1[*:1] C[C@@H](C[*:1])C(=O)Nc1cc(sc1C#N)C(C)(C)C
O=c1ccc(SC(F)(F)F)c[nH]1 FC(F)(F)[*:1] O=c1ccc(c[nH]1)S[*:1]
COC[C@H](C)CC(=O)NC[C@@H]1CCC[C@@H]1CO COC[*:1] C[C@H](CC(=O)NC[C@@H]1CCC[C@@H]1CO)[*:1]
COC[C@H](C)CC(=O)NC[C@@H]1CCC[C@@H]1CO COC[C@H](C)[*:1] O=C(C[*:1])NC[C@@H]1CCC[C@@H]1CO
CCc1nnc(-c2cn(CC(=O)Nc3c(C)cc(C)cc3C)c3ccccc23)o1 CCc1nnc(o1)[*:1] Cc1cc(C)c(NC(=O)Cn2cc(c3ccccc32)[*:1])c(C)c1
CCc1nnc(-c2cn(CC(=O)Nc3c(C)cc(C)cc3C)c3ccccc23)o1 Cc1cc(C)c(c(C)c1)[*:1] CCc1nnc(o1)-c1cn(CC(=O)N[*:1])c2ccccc12
CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@@H]3[C@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@]23O[C@H]13 O=c1ccc(co1)[*:1] CC(=O)O[C@@H]1[C@H]([C@@]2(C)CC[C@@H]3[C@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@]23O[C@H]13)[*:1]
CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@@H]3[C@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@]23O[C@H]13 CC(=O)O[*:1] C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@H]([C@H]3O[C@]132)[*:1]
CCN(Cc1ccccc1)C(=O)C[NH2+]C(C)(C)c1nc(C)c(C)s1 c1ccc(cc1)C[*:1] CCN(C(=O)C[NH2+]C(C)(C)c1nc(C)c(C)s1)[*:1]
CCN(Cc1ccccc1)C(=O)C[NH2+]C(C)(C)c1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] CCN(Cc1ccccc1)C(=O)C[NH2+]C(C)(C)[*:1]
CCN(Cc1ccccc1)C(=O)C[NH2+]C(C)(C)c1nc(C)c(C)s1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)C[NH2+]C(C)(C)c1nc(C)c(C)s1
O=C(CCCn1cncn1)N[C@H](c1ccc(Cl)cc1)C1CC1 c1ncn(CC[*:1])n1 O=C(C[*:1])N[C@H](c1ccc(Cl)cc1)C1CC1
O=C(CCCn1cncn1)N[C@H](c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] O=C(CCCn1cncn1)N[C@H](c1ccc(Cl)cc1)[*:1]
O=C(CCCn1cncn1)N[C@H](c1ccc(Cl)cc1)C1CC1 c1ncn(n1)[*:1] O=C(CCC[*:1])N[C@H](c1ccc(Cl)cc1)C1CC1
O=C(CCCn1cncn1)N[C@H](c1ccc(Cl)cc1)C1CC1 c1ncn(C[*:1])n1 O=C(CC[*:1])N[C@H](c1ccc(Cl)cc1)C1CC1
O=C(CCCn1cncn1)N[C@H](c1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] O=C(CCCn1cncn1)N[C@H](C1CC1)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 Fc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)[C@H]1Cc2ccccc2O1
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 Fc1ccc(cc1)O[*:1] C[C@H](C(=O)NNC(=O)[C@H]1Cc2ccccc2O1)[*:1]
COC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1 COC(=O)C[*:1] O=S(=O)(NC[*:1])c1ccc(Cl)nc1
COC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1 COC(=O)[*:1] O=S(=O)(NCC[*:1])c1ccc(Cl)nc1
Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)c4ccc5nsnc5c4)c3)nc2c1 c1cc2nsnc2cc1[*:1] Cc1cc(C)c2oc(nc2c1)-c1cccc(c1)NC(=S)NC(=O)[*:1]
CCC[NH2+][C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] CCC[NH2+][C@H](C)c1cccc(c1)NC(=O)O[*:1]
CCC[NH2+][C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 CCC[*:1] C[C@@H]([NH2+][*:1])c1cccc(c1)NC(=O)OC(C)(C)C
CC(C)CCOCC[n+]1ccc(N(C)C)cc1 CN(C)[*:1] CC(C)CCOCC[n+]1ccc(cc1)[*:1]
CC(C)CCOCC[n+]1ccc(N(C)C)cc1 CC(C)[*:1] CN(C)c1cc[n+](cc1)CCOCC[*:1]
CC(C)CCOCC[n+]1ccc(N(C)C)cc1 CC(C)CC[*:1] CN(C)c1cc[n+](cc1)CCO[*:1]
CC(C)CCOCC[n+]1ccc(N(C)C)cc1 CC(C)C[*:1] CN(C)c1cc[n+](cc1)CCOC[*:1]
CCOc1cccc(-c2nc(-c3ccc(CNC(C)=O)o3)cs2)c1 CC(=O)N[*:1] CCOc1cccc(c1)-c1nc(cs1)-c1ccc(C[*:1])o1
CCOc1cccc(-c2nc(-c3ccc(CNC(C)=O)o3)cs2)c1 CC(=O)NC[*:1] CCOc1cccc(c1)-c1nc(cs1)-c1ccc(o1)[*:1]
CCOc1cccc(-c2nc(-c3ccc(CNC(C)=O)o3)cs2)c1 CCO[*:1] CC(=O)NCc1ccc(o1)-c1csc(n1)-c1cccc(c1)[*:1]
Cc1cccc(OCCN2CCO[C@@H](CC(=O)[O-])C2)c1 O=C([O-])[*:1] Cc1cccc(c1)OCCN1CCO[C@H](C1)C[*:1]
Cc1cccc(OCCN2CCO[C@@H](CC(=O)[O-])C2)c1 O=C([O-])C[*:1] Cc1cccc(c1)OCCN1CCO[C@@H](C1)[*:1]
O=C([O-])CNc1nccs1 O=C([O-])[*:1] c1csc(n1)NC[*:1]
CCS[C@@H]1CC[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1 CCS[*:1] O=C(NNC(=O)c1ccc(Cl)cc1)N[C@H]1CC[C@H](C1)[*:1]
CCS[C@@H]1CC[C@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCS[C@@H]1CC[C@@H](C1)NC(=O)NNC(=O)[*:1]
COc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4nnc(-c5ccsc5)o4)C3)cc12 c1cc(cs1)[*:1] COc1cccc2[nH]c(cc12)C(=O)N1CCC[C@H](C1)c1nnc(o1)[*:1]
Cn1cc(CC(=O)NNC(=O)NCCc2cccs2)c2ccccc21 c1csc(c1)CC[*:1] Cn1cc(CC(=O)NNC(=O)N[*:1])c2ccccc21
Cn1cc(CC(=O)NNC(=O)NCCc2cccs2)c2ccccc21 c1csc(c1)C[*:1] Cn1cc(CC(=O)NNC(=O)NC[*:1])c2ccccc21
Cn1cc(CC(=O)NNC(=O)NCCc2cccs2)c2ccccc21 c1csc(c1)[*:1] Cn1cc(CC(=O)NNC(=O)NCC[*:1])c2ccccc21
Cc1cc(SCC[C@H](C)CCS)n(C)n1 C[C@H](CCS)[*:1] Cc1cc(SCC[*:1])n(C)n1
Cc1cc(SCC[C@H](C)CCS)n(C)n1 SCC[*:1] Cc1cc(SCC[C@H](C)[*:1])n(C)n1
CCCCC(=O)N(Cc1ccco1)c1nc2cc(C)c(C)cc2s1 CCC[*:1] Cc1cc2nc(sc2cc1C)N(Cc1ccco1)C(=O)C[*:1]
CCCCC(=O)N(Cc1ccco1)c1nc2cc(C)c(C)cc2s1 c1coc(c1)C[*:1] CCCCC(=O)N(c1nc2cc(C)c(C)cc2s1)[*:1]
CCCCC(=O)N(Cc1ccco1)c1nc2cc(C)c(C)cc2s1 CCCC[*:1] Cc1cc2nc(sc2cc1C)N(Cc1ccco1)C(=O)[*:1]
CCCCC(=O)N(Cc1ccco1)c1nc2cc(C)c(C)cc2s1 c1coc(c1)[*:1] CCCCC(=O)N(C[*:1])c1nc2cc(C)c(C)cc2s1
N#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 N#Cc1ccc(cc1)O[*:1] O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)N1CCCCCC1
N#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 N#Cc1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1O[*:1])S(=O)(=O)N1CCCCCC1
N#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] N#Cc1ccc(cc1)Oc1ccc(cc1[*:1])S(=O)(=O)N1CCCCCC1
CC(C)CN1C(=O)C(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O CC(C)C[*:1] O=C1C(=O)N(C(=O)N1CCN1C(=O)c2ccccc2C1=O)[*:1]
CC(C)CN1C(=O)C(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O CC(C)[*:1] O=C1C(=O)N(C[*:1])C(=O)N1CCN1C(=O)c2ccccc2C1=O
C[C@@H]1SCCC[C@@H]1Nc1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] C[C@@H]1SCCC[C@@H]1Nc1cc(ccc1Cl)[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc1 N#Cc1c(sc2CCCc21)[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(nc1)SCC(=O)N[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc1 C1CCC(CC1)[*:1] CN(S(=O)(=O)c1ccc(nc1)SCC(=O)Nc1sc2CCCc2c1C#N)[*:1]
O=C(COc1ccc(F)cc1)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 Fc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)c1nc2ccccc2nc1C(F)(F)F
O=C(COc1ccc(F)cc1)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(COc1ccc(F)cc1)N1CCN(CC1)c1nc2ccccc2nc1[*:1]
O=C(COc1ccc(F)cc1)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 Fc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1nc2ccccc2nc1C(F)(F)F
O=C(COc1ccc(F)cc1)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 Fc1ccc(cc1)OC[*:1] O=C(N1CCN(CC1)c1nc2ccccc2nc1C(F)(F)F)[*:1]
O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCC([NH+]2CCCCC2)CC1 C1CC1[*:1] O=C([C@H]1CCC(=O)N(C1)[*:1])N1CCC(CC1)[NH+]1CCCCC1
CC(C)(C)[C@H]1NN[C@H](NC(=O)NCC2=CC=C[C@H]3N=CC=C23)S1 CC(C)(C)[*:1] O=C(NCC1=CC=C[C@H]2N=CC=C12)N[C@H]1NN[C@@H](S1)[*:1]
Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n(-c2ccc(F)cc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@@H]2C[C@H]2[*:1])n(n1)-c1ccc(F)cc1
Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n(n1)[*:1]
Cn1cc(S(=O)(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)S(=O)(=O)N1CCc2ccccc2[C@H]1C[*:1]
Cn1cc(S(=O)(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(N1CCc2ccccc2[C@H]1Cc1ccccc1)[*:1]
Cn1cc(S(=O)(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)S(=O)(=O)N1CCc2ccccc2[C@@H]1[*:1]
COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)c1 COc1cccc(c1)[*:1] O=C(c1cccs1)N1CCc2ccc(cc21)NC(=O)[*:1]
COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)c1 c1csc(c1)[*:1] COc1cccc(c1)C(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
COc1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc(OC)c1 FC(F)(F)[*:1] COc1cc(cc(c1)OC)NC(=O)Cn1ccc(n1)[*:1]
CNC(=O)Cc1nc(CSc2nnc(-c3ccoc3C)n2C)cs1 Cc1occc1[*:1] CNC(=O)Cc1nc(cs1)CSc1nnc(n1C)[*:1]
CNC(=O)Cc1nc(CSc2nnc(-c3ccoc3C)n2C)cs1 CNC(=O)C[*:1] Cc1occc1-c1nnc(SCc2csc(n2)[*:1])n1C
CNC(=O)Cc1nc(CSc2nnc(-c3ccoc3C)n2C)cs1 CNC(=O)[*:1] Cc1occc1-c1nnc(SCc2csc(C[*:1])n2)n1C
CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccccn1 Clc1ccc(cn1)[*:1] CC(C)[C@H](NC(=O)C(=O)N[*:1])c1ccccn1
CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)[*:1]
CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccccn1 CC(C)[*:1] O=C(Nc1ccc(Cl)nc1)C(=O)N[C@H](c1ccccn1)[*:1]
COCc1cc(NC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)ncn1 c1csc(c1)[*:1] COCc1cc(ncn1)NC(=O)N1CCC[C@H]1C[C@H](O)[*:1]
COCc1cc(NC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)ncn1 O[C@H](c1cccs1)[*:1] COCc1cc(ncn1)NC(=O)N1CCC[C@H]1C[*:1]
COCc1cc(NC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)ncn1 COC[*:1] O=C(Nc1cc(ncn1)[*:1])N1CCC[C@H]1C[C@H](O)c1cccs1
COCc1cc(NC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)ncn1 O[C@@H](C[*:1])c1cccs1 COCc1cc(ncn1)NC(=O)N1CCC[C@@H]1[*:1]
O=C([O-])CCNC(=O)C1CCCCC1 O=C([O-])C[*:1] O=C(NC[*:1])C1CCCCC1
O=C([O-])CCNC(=O)C1CCCCC1 O=C([O-])[*:1] O=C(NCC[*:1])C1CCCCC1
COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)Nc3ccc(Br)cn3)c2n1 COc1ccccc1[*:1] O=C(Nc1ccc(Br)cn1)c1cnn2c(cc(nc12)[*:1])C(F)F
COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)Nc3ccc(Br)cn3)c2n1 Brc1ccc(nc1)[*:1] COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)N[*:1])c2n1
COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)Nc3ccc(Br)cn3)c2n1 FC(F)[*:1] COc1ccccc1-c1cc(n2ncc(C(=O)Nc3ccc(Br)cn3)c2n1)[*:1]
COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)Nc3ccc(Br)cn3)c2n1 O=C(Nc1ccc(Br)cn1)[*:1] COc1ccccc1-c1cc(C(F)F)n2ncc(c2n1)[*:1]
NC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)CC1 c1cnn(c1)[*:1] NC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
NC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)CC1 NC(=O)[*:1] O=C([C@@H]1CCCN(C1)c1ccc(nn1)-n1cccn1)N1CCC(CC1)[*:1]
N#CCSc1cccc(C(=O)Oc2cccc(NC(=O)C3CC3)c2)c1 C1CC1[*:1] N#CCSc1cccc(c1)C(=O)Oc1cccc(c1)NC(=O)[*:1]
N#CCSc1cccc(C(=O)Oc2cccc(NC(=O)C3CC3)c2)c1 N#CCS[*:1] O=C(Oc1cccc(c1)NC(=O)C1CC1)c1cccc(c1)[*:1]
N#CCSc1cccc(C(=O)Oc2cccc(NC(=O)C3CC3)c2)c1 O=C(N[*:1])C1CC1 N#CCSc1cccc(c1)C(=O)Oc1cccc(c1)[*:1]
N#CCSc1cccc(C(=O)Oc2cccc(NC(=O)C3CC3)c2)c1 N#CC[*:1] O=C(Oc1cccc(c1)NC(=O)C1CC1)c1cccc(c1)S[*:1]
CCn1c2ccccc2c2nnc(SCC(=O)N3CCC(c4ccccc4)=N3)nc21 c1ccc(cc1)[*:1] CCn1c2ccccc2c2nnc(nc21)SCC(=O)N1CCC(=N1)[*:1]
Cc1ccc(Cn2c([O-])c(C(N)=O)c3snnc3c2=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)Cn1c([O-])c(c2snnc2c1=O)[*:1]
Cc1ccc(Cn2c([O-])c(C(N)=O)c3snnc3c2=O)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1c([O-])n(C[*:1])c(=O)c2nnsc12
O=C(c1cc(C2CC2)on1)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 C1CC1[*:1] O=C(c1cc(on1)[*:1])N1CCc2nc(ncc2C1)[C@H]1CCC[NH2+]C1
O=C(c1cc(C2CC2)on1)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 c1c(noc1C1CC1)[*:1] O=C(N1CCc2nc(ncc2C1)[C@H]1CCC[NH2+]C1)[*:1]
Cc1[nH+]c(N2CCN(Cc3ccncc3)CC2)ccc1I c1cc(ccn1)C[*:1] Cc1[nH+]c(ccc1I)N1CCN(CC1)[*:1]
Cc1[nH+]c(N2CCN(Cc3ccncc3)CC2)ccc1I c1cc(ccn1)[*:1] Cc1[nH+]c(ccc1I)N1CCN(CC1)C[*:1]
CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]C1Cc2ccccc2C1 CS(=O)(=O)N[*:1] c1ccc2CC(Cc2c1)[NH2+]C[C@@H]1CCC[C@H]1[*:1]
Cc1ccc(NC(=O)CS(=O)(=O)CCC(C)C)cc1 CC(C)CC[*:1] Cc1ccc(cc1)NC(=O)CS(=O)(=O)[*:1]
Cc1ccc(NC(=O)CS(=O)(=O)CCC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)CS(=O)(=O)CC[*:1]
Cc1ccc(NC(=O)CS(=O)(=O)CCC(C)C)cc1 CC(C)C[*:1] Cc1ccc(cc1)NC(=O)CS(=O)(=O)C[*:1]
COC(=O)c1ccccc1N(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 COC(=O)[*:1] CN(c1ccccc1[*:1])S(=O)(=O)c1c[nH]c(c1)C(=O)[O-]
COC(=O)c1ccccc1N(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 O=C([O-])[*:1] COC(=O)c1ccccc1N(C)S(=O)(=O)c1c[nH]c(c1)[*:1]
CCOc1ccccc1NC(=O)C(=O)N[C@H](C)CC CC[C@@H](C)[*:1] CCOc1ccccc1NC(=O)C(=O)N[*:1]
CCOc1ccccc1NC(=O)C(=O)N[C@H](C)CC CCO[*:1] CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1[*:1]
CCSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1 c1ccc(cc1)[*:1] CCSc1ncc(n1-c1ccc(F)cc1)[*:1]
CCSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1 CCS[*:1] Fc1ccc(cc1)-n1c(cnc1[*:1])-c1ccccc1
CCSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCSc1ncc(-c2ccccc2)n1[*:1]
Cc1ccc(C[NH+](Cc2ccn[nH]2)Cc2ccco2)s1 c1cc([nH]n1)[*:1] Cc1ccc(C[NH+](Cc2ccco2)C[*:1])s1
Cc1ccc(C[NH+](Cc2ccn[nH]2)Cc2ccco2)s1 c1cc(C[*:1])[nH]n1 Cc1ccc(C[NH+](Cc2ccco2)[*:1])s1
Cc1ccc(C[NH+](Cc2ccn[nH]2)Cc2ccco2)s1 c1coc(c1)C[*:1] Cc1ccc(C[NH+](Cc2ccn[nH]2)[*:1])s1
Cc1ccc(C[NH+](Cc2ccn[nH]2)Cc2ccco2)s1 c1coc(c1)[*:1] Cc1ccc(C[NH+](Cc2ccn[nH]2)C[*:1])s1
Cc1ccc(C[NH+](Cc2ccn[nH]2)Cc2ccco2)s1 Cc1ccc(s1)[*:1] c1coc(c1)C[NH+](Cc1ccn[nH]1)C[*:1]
CSCC(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 CSC[*:1] O=C(NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)[*:1]
CSCC(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 c1cc(ccn1)[*:1] CSCC(=O)NC[C@@H]1Cc2cc(Cl)cc(c2O1)[*:1]
CSCC(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 CSCC(=O)N[*:1] Clc1cc2C[C@@H](C[*:1])Oc2c(c1)-c1ccncc1
CSCC(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 CSCC(=O)NC[*:1] Clc1cc2C[C@H](Oc2c(c1)-c1ccncc1)[*:1]
COc1ccc2[nH]cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2c1 c1ccc(cc1)C[*:1] COc1ccc2[nH]cc(/C=C(/C#N)C(=O)N[*:1])c2c1
COc1ccc2[nH]cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2c1 c1ccc(cc1)[*:1] COc1ccc2[nH]cc(/C=C(/C#N)C(=O)NC[*:1])c2c1
Cc1ccc(-c2cc(-c3ccc(F)cc3)nc(N)n2)o1 Cc1ccc(o1)[*:1] Nc1nc(cc(n1)[*:1])-c1ccc(F)cc1
COC(=O)[C@H](C)N1CCC[C@@H](c2nc(C)no2)C1 COC(=O)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)[C@@H](C)[*:1]
COC(=O)[C@H](C)N1CCC[C@@H](c2nc(C)no2)C1 COC(=O)[C@H](C)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)[*:1]
COC(=O)[C@H](C)N1CCC[C@@H](c2nc(C)no2)C1 Cc1noc(n1)[*:1] COC(=O)[C@H](C)N1CCC[C@@H](C1)[*:1]
CC(C)c1nc(CNc2ccccc2CCC(F)(F)F)no1 FC(F)(F)[*:1] CC(C)c1nc(CNc2ccccc2CC[*:1])no1
CC(C)c1nc(CNc2ccccc2CCC(F)(F)F)no1 CC(C)[*:1] FC(F)(F)CCc1ccccc1NCc1noc(n1)[*:1]
CC(C)c1nc(CNc2ccccc2CCC(F)(F)F)no1 FC(F)(F)CC[*:1] CC(C)c1nc(CNc2ccccc2[*:1])no1
CC(C)c1nc(CNc2ccccc2CCC(F)(F)F)no1 FC(F)(F)C[*:1] CC(C)c1nc(CNc2ccccc2C[*:1])no1
CCCOc1ccc(CNC(=O)N[C@H](C)c2nc(C)cs2)cc1 CCCO[*:1] Cc1csc(n1)[C@@H](C)NC(=O)NCc1ccc(cc1)[*:1]
CCCOc1ccc(CNC(=O)N[C@H](C)c2nc(C)cs2)cc1 CCC[*:1] Cc1csc(n1)[C@@H](C)NC(=O)NCc1ccc(cc1)O[*:1]
CCCOc1ccc(CNC(=O)N[C@H](C)c2nc(C)cs2)cc1 Cc1csc(n1)[*:1] CCCOc1ccc(cc1)CNC(=O)N[C@H](C)[*:1]
Cc1ccc(C2=N/C(=C3/C=CC=CC3=O)N(O)[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1C(=N/C(=C2/C=CC=CC2=O)N1O)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2cccnc2SCc2ccc(C(N)=O)cc2)C1 NC(=O)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1cccnc1SCc1ccc(cc1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2cccnc2SCc2ccc(C(N)=O)cc2)C1 NC(=O)c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1cccnc1SC[*:1]
O=C(CCCC1CCCC1)N(Cc1ccco1)c1ccccn1 C1CCC(C1)CC[*:1] O=C(C[*:1])N(Cc1ccco1)c1ccccn1
O=C(CCCC1CCCC1)N(Cc1ccco1)c1ccccn1 c1coc(c1)[*:1] O=C(CCCC1CCCC1)N(C[*:1])c1ccccn1
O=C(CCCC1CCCC1)N(Cc1ccco1)c1ccccn1 C1CCC(C1)C[*:1] O=C(CC[*:1])N(Cc1ccco1)c1ccccn1
O=C(CCCC1CCCC1)N(Cc1ccco1)c1ccccn1 C1CCC(C1)[*:1] O=C(CCC[*:1])N(Cc1ccco1)c1ccccn1
O=C(CCCC1CCCC1)N(Cc1ccco1)c1ccccn1 c1ccc(nc1)[*:1] O=C(CCCC1CCCC1)N(Cc1ccco1)[*:1]
O=C(CCCC1CCCC1)N(Cc1ccco1)c1ccccn1 c1coc(c1)C[*:1] O=C(CCCC1CCCC1)N(c1ccccn1)[*:1]
COc1ccc(CN(C2CC2)S(=O)(=O)c2nc(C)cs2)cc1 Cc1csc(n1)[*:1] COc1ccc(cc1)CN(C1CC1)S(=O)(=O)[*:1]
COc1ccc(CN(C2CC2)S(=O)(=O)c2nc(C)cs2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(S(=O)(=O)c1nc(C)cs1)[*:1]
O=C([C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCOCC1 Clc1ccccc1[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCOCC1
CC[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)[*:1]
CC[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)c1ccccc1 Clc1cccc(c1)[*:1] CC[C@@H](C(=O)OCC(=O)N[*:1])c1ccccc1
COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1NS(C)(=O)=O)C(=O)N1CCCCC[C@H]1[*:1]
COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 CS(=O)(=O)N[*:1] COc1ccc(cc1)[C@@H]1CCCCCN1C(=O)c1ccc(C)c(c1)[*:1]
Cc1ccc(-c2n(C)c3ccccc3[n+]2CC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1n(C)c2ccccc2[n+]1CC(=O)O[C@H]1C[C@@H](C)CC[C@H]1[*:1]
Cc1ccc(-c2n(C)c3ccccc3[n+]2CC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[n+]1c(n(C)c2ccccc21)[*:1]
CC1(C)Cc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C(C)(C)[NH2+]1 NC(=O)[*:1] CC1(C)Cc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2[*:1])C(C)(C)[NH2+]1
CC1(C)Cc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C(C)(C)[NH2+]1 Clc1ccc(Cl)c(c1)[*:1] CC1(C)Cc2c(sc(NC(=O)[*:1])c2C(N)=O)C(C)(C)[NH2+]1
Cc1cc(C(=O)CSc2ccc(F)cc2)c(C)n1-c1nccs1 c1csc(n1)[*:1] Cc1cc(C(=O)CSc2ccc(F)cc2)c(C)n1[*:1]
Cc1cc(C(=O)CSc2ccc(F)cc2)c(C)n1-c1nccs1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1-c1nccs1
CC(C)COc1ccccc1NC(=O)c1nc(Cl)ccc1Cl CC(C)[*:1] O=C(Nc1ccccc1OC[*:1])c1nc(Cl)ccc1Cl
CC(C)COc1ccccc1NC(=O)c1nc(Cl)ccc1Cl CC(C)CO[*:1] O=C(Nc1ccccc1[*:1])c1nc(Cl)ccc1Cl
CC(C)COc1ccccc1NC(=O)c1nc(Cl)ccc1Cl CC(C)C[*:1] O=C(Nc1ccccc1O[*:1])c1nc(Cl)ccc1Cl
CCCN(CC(=O)[O-])C(=O)[C@H]1C=C[C@@H]([NH3+])C1 CCC[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N(CC(=O)[O-])[*:1]
CCCN(CC(=O)[O-])C(=O)[C@H]1C=C[C@@H]([NH3+])C1 O=C([O-])[*:1] CCCN(C[*:1])C(=O)[C@H]1C=C[C@@H]([NH3+])C1
CCCN(CC(=O)[O-])C(=O)[C@H]1C=C[C@@H]([NH3+])C1 O=C([O-])C[*:1] CCCN(C(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(Cn1nnc(n1)-c1ccccc1)N[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)NCC(F)(F)F FC(F)(F)[*:1] O=C(Cn1nnc(n1)-c1ccccc1)NC[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)NCC(F)(F)F c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])NCC(F)(F)F
O=S(=O)(CCC1CC1)NC[C@@H]1C[C@@]12CCc1ccccc12 C1CC1CC[*:1] O=S(=O)(NC[C@@H]1C[C@@]12CCc1ccccc12)[*:1]
O=S(=O)(CCC1CC1)NC[C@@H]1C[C@@]12CCc1ccccc12 C1CC1[*:1] O=S(=O)(CC[*:1])NC[C@@H]1C[C@@]12CCc1ccccc12
O=S(=O)(CCC1CC1)NC[C@@H]1C[C@@]12CCc1ccccc12 C1CC1C[*:1] O=S(=O)(C[*:1])NC[C@@H]1C[C@@]12CCc1ccccc12
CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O O=[N+]([O-])[*:1] CC(C)[C@@H](C(=O)Nc1ccc(cc1)[*:1])N1C(=O)c2ccccc2C1=O
CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccco1 Clc1ccc(cc1)[*:1] CSC1=NC(=C[*:1])C(=O)N1Cc1ccco1
CSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccco1 c1coc(c1)C[*:1] CSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1[*:1]
CSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccco1 c1coc(c1)[*:1] CSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1C[*:1]
Cc1cc(NC(=O)Nc2ccccc2)c2ccccc2n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)N[*:1])c2ccccc2n1
c1ccc2c(c1)c1ccccc1c1nc(N3CCCCC3)nnc21 C1CCN(CC1)[*:1] c1ccc2c(c1)c1ccccc1c1nc(nnc21)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC2(CC1)OCCO2 C[C@@H]1CCCC[C@H]1[*:1] O=C(C[NH+]1CCC2(CC1)OCCO2)NC(=O)N[*:1]
C[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 C[C@@H](CO)[*:1] C1C[C@@H]2[C@H]3C[C@H](C[C@@H]3[NH2+][*:1])[C@H]2C1
CNC(=O)CO/N=C/c1ccc(Br)cc1 CNC(=O)C[*:1] Brc1ccc(/C=N/O[*:1])cc1
CNC(=O)CO/N=C/c1ccc(Br)cc1 CNC(=O)[*:1] Brc1ccc(/C=N/OC[*:1])cc1
O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 FC(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 FC(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)OC(F)F)[C@@H]1CCCCN1S(=O)(=O)[*:1]
CCOCc1noc([C@H]2CC[C@H](C[NH3+])O2)n1 CCOC[*:1] [NH3+]C[C@H]1CC[C@@H](O1)c1nc(no1)[*:1]
CCOCc1noc([C@H]2CC[C@H](C[NH3+])O2)n1 CCO[*:1] [NH3+]C[C@H]1CC[C@@H](O1)c1nc(C[*:1])no1
COc1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C)cc2)c1OC Cc1ccc(cc1)[*:1] COc1cccc(c1OC)[C@@H]1SCCN1S(=O)(=O)[*:1]
C(=N/c1ccc2c(c1)oc1ccccc12)\c1cccnc1 c1cncc(c1)[*:1] C(=Nc1ccc2c(c1)oc1ccccc12)[*:1]
COCC[C@@H](C)C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)O[*:1] COCC[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
COCC[C@@H](C)C(=O)Nc1cccc(Oc2ccncc2)c1 COC[*:1] C[C@H](C[*:1])C(=O)Nc1cccc(c1)Oc1ccncc1
COCC[C@@H](C)C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)[*:1] COCC[C@@H](C)C(=O)Nc1cccc(c1)O[*:1]
COCC[C@@H](C)C(=O)Nc1cccc(Oc2ccncc2)c1 COCC[*:1] C[C@@H](C(=O)Nc1cccc(c1)Oc1ccncc1)[*:1]
CCN(C(=O)Nc1cccc(C(C)=O)c1)[C@@H](C)c1cc2ccccc2o1 CC(=O)[*:1] CCN(C(=O)Nc1cccc(c1)[*:1])[C@@H](C)c1cc2ccccc2o1
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)c1cccc(c1)NS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(C)[C@@H](NC(=O)CS(=O)(=O)[C@@H](C)c1c(F)cccc1F)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CS(=O)(=O)[C@@H](C)c1c(F)cccc1F)[*:1]
CC(C)[C@@H](NC(=O)CS(=O)(=O)[C@@H](C)c1c(F)cccc1F)c1ccccc1 CC(C)[*:1] C[C@@H](c1c(F)cccc1F)S(=O)(=O)CC(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)CS(=O)(=O)[C@@H](C)c1c(F)cccc1F)c1ccccc1 Fc1cccc(F)c1[*:1] CC(C)[C@@H](NC(=O)CS(=O)(=O)[C@@H](C)[*:1])c1ccccc1
NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCc1ccncc1)c1nnn(-c2ccccc2Cl)c1-c1ccncc1 c1cc(ccn1)[*:1] O=C(NC[*:1])c1nnn(-c2ccccc2Cl)c1-c1ccncc1
O=C(NCc1ccncc1)c1nnn(-c2ccccc2Cl)c1-c1ccncc1 Clc1ccccc1[*:1] O=C(NCc1ccncc1)c1nnn(c1-c1ccncc1)[*:1]
O=C(NCc1ccncc1)c1nnn(-c2ccccc2Cl)c1-c1ccncc1 c1cc(ccn1)C[*:1] O=C(N[*:1])c1nnn(-c2ccccc2Cl)c1-c1ccncc1
O=C(NCc1ccncc1)c1nnn(-c2ccccc2Cl)c1-c1ccncc1 c1cc(ccn1)[*:1] O=C(NCc1ccncc1)c1nnn(-c2ccccc2Cl)c1[*:1]
COc1ccc([C@H](CNC(=O)c2cc(C)nc3ccccc23)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C(=O)NC[C@H]([NH+](C)C)[*:1])c2ccccc2n1
Fc1cccc(C/[NH+]=C2\NC[C@@H](c3ccccc3)S2)c1 c1ccc(cc1)[*:1] Fc1cccc(c1)C/[NH+]=C1\NC[C@@H](S1)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H]1Cc2ccccc2N1C(=O)NCCOc1ccc(cc1)[*:1]
C[C@H]1CCCN1NC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CCCN1NC(=O)O[*:1]
Cc1nn(CCO)c(C)c1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] Cc1nn(CCO)c(C)c1C[NH+]1CCC(CC1)C(=O)N[*:1]
Cc1nn(CCO)c(C)c1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 OCC[*:1] Cc1nn(c(C)c1C[NH+]1CCC(CC1)C(=O)Nc1ccc(Cl)cn1)[*:1]
NC(=O)C1([NH2+]CC(=O)Nc2cccc(C(F)(F)F)c2)CCCC1 FC(F)(F)[*:1] NC(=O)C1(CCCC1)[NH2+]CC(=O)Nc1cccc(c1)[*:1]
NC(=O)C1([NH2+]CC(=O)Nc2cccc(C(F)(F)F)c2)CCCC1 NC(=O)[*:1] O=C(C[NH2+]C1(CCCC1)[*:1])Nc1cccc(c1)C(F)(F)F
CC(=O)N[C@@H](CCc1nc2ccccc2[nH]1)C(=O)[O-] CC(=O)N[*:1] O=C([O-])[C@H](CCc1nc2ccccc2[nH]1)[*:1]
CC(=O)N[C@@H](CCc1nc2ccccc2[nH]1)C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H](CCc1nc2ccccc2[nH]1)[*:1]
COC(=O)C1(NC(=O)[C@H]2CCC[C@@H](C)C2)CCSCC1 COC(=O)[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)NC1(CCSCC1)[*:1]
CN(CC(=O)Nc1cccc(F)c1)C(=O)CNC(=O)Cc1cccc2ccccc12 O=C(Nc1cccc(F)c1)[*:1] CN(C[*:1])C(=O)CNC(=O)Cc1cccc2ccccc12
CN(CC(=O)Nc1cccc(F)c1)C(=O)CNC(=O)Cc1cccc2ccccc12 Fc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)CNC(=O)Cc1cccc2ccccc12
CN(CC(=O)Nc1cccc(F)c1)C(=O)CNC(=O)Cc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] CN(CC(=O)Nc1cccc(F)c1)C(=O)CNC(=O)C[*:1]
CN(CC(=O)N1CCOC[C@@H]1C1CC1)C(=O)c1cccs1 C1CC1[*:1] CN(CC(=O)N1CCOC[C@H]1[*:1])C(=O)c1cccs1
CN(CC(=O)N1CCOC[C@@H]1C1CC1)C(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)N1CCOC[C@@H]1C1CC1)C(=O)[*:1]
CCc1nnc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)s1 CCc1nnc(s1)[*:1] CC(C)c1cnc2c(c1SCC(=O)N[*:1])c(=O)n(C)c(=O)n2C
CCc1nnc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)s1 CC(C)[*:1] CCc1nnc(NC(=O)CSc2c(cnc3c2c(=O)n(C)c(=O)n3C)[*:1])s1
CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)COc3ccccc3)CCO2)nc2ccccc12 CC(C)[*:1] O=C(NC[*:1])c1cc(nc2ccccc12)[C@H]1CN(CCO1)C(=O)COc1ccccc1
CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)COc3ccccc3)CCO2)nc2ccccc12 CC(C)C[*:1] O=C(N[*:1])c1cc(nc2ccccc12)[C@H]1CN(CCO1)C(=O)COc1ccccc1
CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)COc3ccccc3)CCO2)nc2ccccc12 c1ccc(cc1)[*:1] CC(C)CNC(=O)c1cc(nc2ccccc12)[C@H]1CN(CCO1)C(=O)CO[*:1]
CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)COc3ccccc3)CCO2)nc2ccccc12 c1ccc(cc1)O[*:1] CC(C)CNC(=O)c1cc(nc2ccccc12)[C@H]1CN(CCO1)C(=O)C[*:1]
CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)COc3ccccc3)CCO2)nc2ccccc12 c1ccc(cc1)OC[*:1] CC(C)CNC(=O)c1cc(nc2ccccc12)[C@H]1CN(CCO1)C(=O)[*:1]
CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)COc3ccccc3)CCO2)nc2ccccc12 CC(C)CNC(=O)[*:1] O=C(COc1ccccc1)N1CCO[C@H](C1)c1cc(c2ccccc2n1)[*:1]
NC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 NC(=O)C[*:1] O=C(C[C@]1(O)C(=O)N(c2ccccc21)[*:1])c1ccc(Cl)cc1Cl
NC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 Clc1ccc(c(Cl)c1)[*:1] NC(=O)CN1C(=O)[C@@](O)(CC(=O)[*:1])c2ccccc21
NC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 NC(=O)[*:1] O=C(C[C@]1(O)C(=O)N(C[*:1])c2ccccc21)c1ccc(Cl)cc1Cl
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)c(c1)C(F)(F)F)[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 FC(F)(F)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])[C@H]1CCCN(C1)S(=O)(=O)Cc1ccccc1
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(Cl)c(c1)C(F)(F)F)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] COC(=O)c1cccc(c1)NC(=O)N1CCc2nc[nH]c2[C@@H]1[*:1]
COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2F)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1F
COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2F)c1 COC(=O)c1cccc(c1)[*:1] O=C(N[*:1])N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1F
O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)ccc1F Fc1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](N1CCOCC1)[*:1])c1cc(F)ccc1F
O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[*:1]
O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(F)ccc1F C1CN(CCO1)[*:1] O=S(=O)(NC[C@@H](c1ccc(F)cc1)[*:1])c1cc(F)ccc1F
CCOC(=O)[C@]1(NC(C)C)CC[C@@H](N2CCOC[C@@H]2C)C1 C[C@H]1COCCN1[*:1] CCOC(=O)[C@@]1(CC[C@@H](C1)[*:1])NC(C)C
CCOC(=O)[C@]1(NC(C)C)CC[C@@H](N2CCOC[C@@H]2C)C1 CCOC(=O)[*:1] CC(C)N[C@@]1(CC[C@H](C1)N1CCOC[C@@H]1C)[*:1]
CCOC(=O)[C@]1(NC(C)C)CC[C@@H](N2CCOC[C@@H]2C)C1 CC(C)N[*:1] CCOC(=O)[C@@]1(CC[C@H](C1)N1CCOC[C@@H]1C)[*:1]
CCOC(=O)[C@]1(NC(C)C)CC[C@@H](N2CCOC[C@@H]2C)C1 CC(C)[*:1] CCOC(=O)[C@@]1(CC[C@H](C1)N1CCOC[C@@H]1C)N[*:1]
C[C@H]1CN(C(=O)Cc2cccs2)c2cc(Cl)ccc2O1 c1csc(c1)C[*:1] C[C@H]1CN(C(=O)[*:1])c2cc(Cl)ccc2O1
C[C@H]1CN(C(=O)Cc2cccs2)c2cc(Cl)ccc2O1 c1csc(c1)[*:1] C[C@H]1CN(C(=O)C[*:1])c2cc(Cl)ccc2O1
O=c1c2ccccc2nc(-c2cccnc2)n1-c1ccc(Br)cn1 c1cncc(c1)[*:1] O=c1c2ccccc2nc(n1-c1ccc(Br)cn1)[*:1]
O=c1c2ccccc2nc(-c2cccnc2)n1-c1ccc(Br)cn1 Brc1ccc(nc1)[*:1] O=c1c2ccccc2nc(-c2cccnc2)n1[*:1]
O=S1(=O)N=C(N/N=C\c2ccccn2)c2ccccc21 c1ccc(nc1)[*:1] O=S1(=O)N=C(NN=C[*:1])c2ccccc21
N#C[C@H](OC(=O)c1ccc(OCC2CC2)nc1)C1CC1 C1CC1C[*:1] N#C[C@H](OC(=O)c1ccc(nc1)O[*:1])C1CC1
N#C[C@H](OC(=O)c1ccc(OCC2CC2)nc1)C1CC1 C1CC1[*:1] N#C[C@H](OC(=O)c1ccc(nc1)OC[*:1])C1CC1
N#C[C@H](OC(=O)c1ccc(OCC2CC2)nc1)C1CC1 C1CC1CO[*:1] N#C[C@H](OC(=O)c1ccc(nc1)[*:1])C1CC1
N#C[C@H](OC(=O)c1ccc(OCC2CC2)nc1)C1CC1 C1CC1[*:1] N#C[C@H](OC(=O)c1ccc(nc1)OCC1CC1)[*:1]
Cn1cnc(CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])Nc1nnc(Cc2cccc(F)c2)s1
Cn1cnc(CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)n1 Cn1cnc(C[*:1])n1 O=C(Nc1nnc(Cc2cccc(F)c2)s1)N[*:1]
Cn1cnc(CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)n1 Fc1cccc(c1)[*:1] Cn1cnc(CNC(=O)Nc2nnc(C[*:1])s2)n1
Cn1cnc(CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)n1 Fc1cccc(c1)C[*:1] Cn1cnc(CNC(=O)Nc2nnc(s2)[*:1])n1
Cc1cc(-c2cc(C(=O)N3CCCN(C(=O)OCC(C)C)CC3)c3cnn(C(C)C)c3n2)c(C)s1 Cc1cc(c(C)s1)[*:1] CC(C)COC(=O)N1CCCN(CC1)C(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
Cc1cc(-c2cc(C(=O)N3CCCN(C(=O)OCC(C)C)CC3)c3cnn(C(C)C)c3n2)c(C)s1 CC(C)[*:1] Cc1cc(-c2cc(C(=O)N3CCCN(CC3)C(=O)OC[*:1])c3cnn(c3n2)C(C)C)c(C)s1
Cc1cc(-c2cc(C(=O)N3CCCN(C(=O)OCC(C)C)CC3)c3cnn(C(C)C)c3n2)c(C)s1 CC(C)C[*:1] Cc1cc(-c2cc(C(=O)N3CCCN(CC3)C(=O)O[*:1])c3cnn(c3n2)C(C)C)c(C)s1
Cc1cc(-c2cc(C(=O)N3CCCN(C(=O)OCC(C)C)CC3)c3cnn(C(C)C)c3n2)c(C)s1 CC(C)[*:1] Cc1cc(-c2cc(C(=O)N3CCCN(CC3)C(=O)OCC(C)C)c3cnn(c3n2)[*:1])c(C)s1
C=CCNC(=O)COc1ccc(C)nc1C[C@@H](C)[NH3+] C=CC[*:1] Cc1ccc(OCC(=O)N[*:1])c(C[C@@H](C)[NH3+])n1
C=CCNC(=O)COc1ccc(C)nc1C[C@@H](C)[NH3+] C=CCNC(=O)[*:1] Cc1ccc(OC[*:1])c(C[C@@H](C)[NH3+])n1
O=C(N1CCc2c1cccc2[N+](=O)[O-])[C@]12CC[C@H](C[C@@H]1Br)C2 O=[N+]([O-])[*:1] O=C(N1CCc2c1cccc2[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
CCOc1ccc([C@H](O)C2([NH+]3CCCC3)CCCC2)cc1 CCO[*:1] O[C@@H](c1ccc(cc1)[*:1])C1(CCCC1)[NH+]1CCCC1
CCSc1ccc(Cl)cc1C(=O)Nc1cc(C(N)=O)ccc1C NC(=O)[*:1] CCSc1ccc(Cl)cc1C(=O)Nc1cc(ccc1C)[*:1]
CCSc1ccc(Cl)cc1C(=O)Nc1cc(C(N)=O)ccc1C CCS[*:1] Cc1ccc(cc1NC(=O)c1cc(Cl)ccc1[*:1])C(N)=O
COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCC(=O)CC1 O=C1CCN(CC1)[*:1] COC(=O)c1[nH]c2ccccc2c1NC(=O)C[*:1]
COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCC(=O)CC1 COC(=O)[*:1] O=C1CCN(CC1)CC(=O)Nc1c([nH]c2ccccc12)[*:1]
COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCC(=O)CC1 O=C1CCN(CC1)C[*:1] COC(=O)c1[nH]c2ccccc2c1NC(=O)[*:1]
Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc5ncsc5c4)CC3)nc12 c1nc2ccc(cc2s1)[*:1] Cc1ccc(Cl)c2sc(nc12)N1CCN(CC1)C(=O)[*:1]
C[C@]1(c2ccccc2C(=O)[O-])NN=C(c2ccccc2)S1 O=C([O-])[*:1] C[C@@]1(NN=C(S1)c1ccccc1)c1ccccc1[*:1]
C[C@]1(c2ccccc2C(=O)[O-])NN=C(c2ccccc2)S1 c1ccc(cc1)[*:1] C[C@@]1(NN=C(S1)[*:1])c1ccccc1C(=O)[O-]
NS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)NCCO[*:1]
NS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(F)cc2)cc1 NS(=O)(=O)[*:1] O=C(NCCOc1ccc(F)cc1)c1ccc(cc1)[*:1]
O=C(/C=C/c1c([O-])[nH]c2ncccc2c1=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(/C=C/c1c([O-])[nH]c2ncccc2c1=O)c1ccc(cc1)[*:1]
CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1[*:1]
CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1CCC CCC[*:1] CCCc1c(cnn1-c1ccc(Cl)cc1)C[NH2+][*:1]
CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1CCC CCC[*:1] CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)c1csc([C@H]2CCCO2)n1 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])c1csc(n1)[C@H]1CCCO1
COc1ccc(-c2cnc(CNc3cccc(-n4nnnc4C)c3)o2)cc1 COc1ccc(cc1)[*:1] Cc1nnnn1-c1cccc(c1)NCc1ncc(o1)[*:1]
COc1ccc(-c2cnc(CNc3cccc(-n4nnnc4C)c3)o2)cc1 Cc1nnnn1[*:1] COc1ccc(cc1)-c1cnc(CNc2cccc(c2)[*:1])o1
O=C(NN=C1CCCc2ccccc21)C(O)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NN=C1CCCc2ccccc21)C(O)(c1ccccc1)[*:1]
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N(C)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1N)[*:1])C(=O)N(C)c1ccccc1
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N(C)[*:1]
CCOC(=O)c1cn[nH]c1-c1ccc([N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] CCOC(=O)c1cn[nH]c1-c1ccc(c(C)c1)[*:1]
CCOC(=O)c1cn[nH]c1-c1ccc([N+](=O)[O-])c(C)c1 CCOC(=O)[*:1] Cc1cc(ccc1[N+](=O)[O-])-c1[nH]ncc1[*:1]
Cc1ccc(CC(=O)N2CCN(C(=O)c3cc(C)cc(F)c3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(F)cc(c1)C(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(CC(=O)N2CCN(C(=O)c3cc(C)cc(F)c3)CC2)cc1 Cc1cc(F)cc(c1)[*:1] Cc1ccc(cc1)CC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(CC(=O)N2CCN(C(=O)c3cc(C)cc(F)c3)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(F)cc(c1)C(=O)N1CCN(CC1)C(=O)[*:1]
N#Cc1cc(F)ccc1CN(C[C@H]1CCCO1)[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] N#Cc1cc(F)ccc1CN(C[C@H]1CCCO1)[*:1]
N#Cc1cc(F)ccc1CN(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)C[*:1] N#Cc1cc(F)ccc1CN([C@@H]1CCSC1)[*:1]
N#Cc1cc(F)ccc1CN(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)[*:1] N#Cc1cc(F)ccc1CN(C[*:1])[C@@H]1CCSC1
CCCN[C@H](c1nccs1)c1cncn1C(C)C CCCN[*:1] CC(C)n1cncc1[C@@H](c1nccs1)[*:1]
CCCN[C@H](c1nccs1)c1cncn1C(C)C CCC[*:1] CC(C)n1cncc1[C@H](N[*:1])c1nccs1
CCCN[C@H](c1nccs1)c1cncn1C(C)C c1csc(n1)[*:1] CCCN[C@H](c1cncn1C(C)C)[*:1]
CCCN[C@H](c1nccs1)c1cncn1C(C)C CC(C)[*:1] CCCN[C@H](c1nccs1)c1cncn1[*:1]
COc1ccc(F)cc1NC(=O)CSc1cccc(Br)c1 Brc1cccc(c1)[*:1] COc1ccc(F)cc1NC(=O)CS[*:1]
CN(C)c1ncccc1C(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CN(C)c1ncccc1C(=O)N1CC=C(CC1)[*:1]
CN(C)c1ncccc1C(=O)N1CC=C(c2ccccc2Cl)CC1 CN(C)[*:1] O=C(c1cccnc1[*:1])N1CC=C(CC1)c1ccccc1Cl
N#CCCN(Cc1cccnc1)Cc1cccc(Cl)n1 N#CCC[*:1] Clc1cccc(CN(Cc2cccnc2)[*:1])n1
N#CCCN(Cc1cccnc1)Cc1cccc(Cl)n1 N#CC[*:1] Clc1cccc(CN(Cc2cccnc2)C[*:1])n1
N#CCCN(Cc1cccnc1)Cc1cccc(Cl)n1 c1cncc(c1)[*:1] N#CCCN(Cc1cccc(Cl)n1)C[*:1]
CC(C)n1cc2cc(NC(=O)C(=O)NCC(C)(C)C(N)=O)ccc2n1 CC(C)(C[*:1])C(N)=O CC(C)n1cc2cc(ccc2n1)NC(=O)C(=O)N[*:1]
CC(C)n1cc2cc(NC(=O)C(=O)NCC(C)(C)C(N)=O)ccc2n1 CC(C)(C(N)=O)[*:1] CC(C)n1cc2cc(ccc2n1)NC(=O)C(=O)NC[*:1]
CC(C)n1cc2cc(NC(=O)C(=O)NCC(C)(C)C(N)=O)ccc2n1 CC(C)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccc2nn(cc2c1)[*:1])C(N)=O
CC(C)n1cc2cc(NC(=O)C(=O)NCC(C)(C)C(N)=O)ccc2n1 NC(=O)[*:1] CC(C)n1cc2cc(ccc2n1)NC(=O)C(=O)NCC(C)(C)[*:1]
CC(C)[C@H](C)N(C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)C1CC1 CC(C)[*:1] C[C@H](NC(=O)N(C1CC1)[C@@H](C)[*:1])c1ccc2OCCOc2c1
CC(C)[C@H](C)N(C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)C1CC1 CC(C)[C@H](C)[*:1] C[C@H](NC(=O)N(C1CC1)[*:1])c1ccc2OCCOc2c1
CC(C)[C@H](C)N(C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] CC(C)[C@H](C)N(C(=O)N[C@@H](C)c1ccc2OCCOc2c1)[*:1]
Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(F)c2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1cccc(F)c1
Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)[C@@H]1CCCN1C(=O)[*:1]
COC(=O)c1nc2n(n1)[C@@H](c1ccc(C)cc1)C=C(c1ccccc1)N2 Cc1ccc(cc1)[*:1] COC(=O)c1nc2NC(=C[C@H](n2n1)[*:1])c1ccccc1
COC(=O)c1nc2n(n1)[C@@H](c1ccc(C)cc1)C=C(c1ccccc1)N2 c1ccc(cc1)[*:1] COC(=O)c1nc2NC(=C[C@H](c3ccc(C)cc3)n2n1)[*:1]
COC(=O)c1nc2n(n1)[C@@H](c1ccc(C)cc1)C=C(c1ccccc1)N2 COC(=O)[*:1] Cc1ccc(cc1)[C@H]1C=C(Nc2nc(nn21)[*:1])c1ccccc1
COCCn1nc(C)c(NC(=O)N(C)CCc2ccccc2)c1C c1ccc(cc1)C[*:1] COCCn1nc(C)c(NC(=O)N(C)C[*:1])c1C
COCCn1nc(C)c(NC(=O)N(C)CCc2ccccc2)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)N(C)CCc1ccccc1)[*:1]
COCCn1nc(C)c(NC(=O)N(C)CCc2ccccc2)c1C c1ccc(cc1)[*:1] COCCn1nc(C)c(NC(=O)N(C)CC[*:1])c1C
COCCn1nc(C)c(NC(=O)N(C)CCc2ccccc2)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)N(C)CCc1ccccc1
COCCn1nc(C)c(NC(=O)N(C)CCc2ccccc2)c1C c1ccc(cc1)CC[*:1] COCCn1nc(C)c(NC(=O)N(C)[*:1])c1C
C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)o1 C[NH2+]C[*:1] C[C@@H]1C[NH+](Cc2ccc(o2)[*:1])C[C@H]1C
CCN(CC)c1ccc(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)c(O)c1 Cc1nc(C)c(s1)[*:1] CCN(CC)c1ccc(C(=O)N(C)[C@@H](C)[*:1])c(O)c1
CCN(CC)c1ccc(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)c(O)c1 CCN(CC)[*:1] Cc1nc(C)c(s1)[C@H](C)N(C)C(=O)c1ccc(cc1O)[*:1]
Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F
Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)ccc1[N+](=O)[O-] Fc1ccc(F)c(c1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N1C[C@H](O)C[C@H]1[*:1]
COc1ccc2cc(C(=O)N(CC(C)C)CC(C)C)c(=O)oc2c1 CC(C)[*:1] COc1ccc2cc(C(=O)N(CC(C)C)C[*:1])c(=O)oc2c1
COc1ccc2cc(C(=O)N(CC(C)C)CC(C)C)c(=O)oc2c1 CC(C)C[*:1] COc1ccc2cc(C(=O)N(CC(C)C)[*:1])c(=O)oc2c1
Cc1cc(C)c(C#N)c(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 c1ccc(cc1)[*:1] Cc1cc(C)c(C#N)c(n1)SCC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C([O-])c1cn(C2CN(CC[NH+]3CCCCC3)C2)nn1 O=C([O-])[*:1] c1c(nnn1C1CN(CC[NH+]2CCCCC2)C1)[*:1]
CC[C@](C)(CCN(C(C)=O)[C@H]1CCOC(C)(C)C1)c1ccccc1 CC1(C)C[C@H](CCO1)[*:1] CC[C@](C)(CCN(C(C)=O)[*:1])c1ccccc1
CC[C@](C)(CCN(C(C)=O)[C@H]1CCOC(C)(C)C1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@](C)(CCN(C(C)=O)[C@H]1CCOC(C)(C)C1)[*:1]
O=C(Cn1c(=O)cnc2ccccc21)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)cnc2ccccc21)N(C[*:1])c1ccccc1
O=C(Cn1c(=O)cnc2ccccc21)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)cnc2ccccc21)N(Cc1ccccc1)[*:1]
O=C(Cn1c(=O)cnc2ccccc21)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(Cn1c(=O)cnc2ccccc21)N(c1ccccc1)[*:1]
Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H]3CCCc4ccccc43)C2)n1 Cc1nc(C)n(n1)[*:1] O=C([C@@H]1CCCc2ccccc21)N1CCC[C@H](C1)[*:1]
Cc1ccc(C)c(S[C@H](C)C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S[C@H](C)C(=O)NC[*:1]
Cc1ccc(C)c(S[C@H](C)C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)S[C@H](C)C(=O)N[*:1]
Cc1cc2nnc([C@@H]3CCOC3)n2c2cc(Cl)ccc12 C1C[C@H](CO1)[*:1] Cc1cc2nnc(n2c2cc(Cl)ccc12)[*:1]
CCn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc(C(N)=O)cc2)cn1 CCn1cc(cn1)[*:1] NC(=O)c1ccc(cc1)C[NH2+]C[C@@H]1CCO[C@@H]1[*:1]
CCn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc(C(N)=O)cc2)cn1 NC(=O)[*:1] CCn1cc(cn1)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(cc1)[*:1]
CNC(=O)c1ccc(/C=C/C(=O)OCc2coc(-c3ccccc3)n2)cc1 CNC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])OCc1coc(n1)-c1ccccc1
CNC(=O)c1ccc(/C=C/C(=O)OCc2coc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(/C=C/C(=O)OCc2coc(n2)[*:1])cc1
O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccc(F)cc2F)c1 FC(F)(F)C[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1ccc(F)cc1F
O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] O=C(NCC(F)(F)F)c1cccc(c1)NC(=O)[*:1]
O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccc(F)cc2F)c1 FC(F)(F)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)c1ccc(F)cc1F
O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccc(F)cc2F)c1 O=C(NCC(F)(F)F)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(F)cc1F
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 Clc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(cc1)NC(=O)c1ccccc1
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 Clc1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)c1ccccc1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 O=C(N[*:1])c1ccccc1 C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(S(=O)(=O)[C@H](C)C(=O)Nc2cc(F)ccc2F)c1 Cc1cccc(c1)[*:1] C[C@H](C(=O)Nc1cc(F)ccc1F)S(=O)(=O)[*:1]
Cn1ccnc1S(=O)(=O)CCCCC#N N#CCC[*:1] Cn1ccnc1S(=O)(=O)CC[*:1]
Cn1ccnc1S(=O)(=O)CCCCC#N N#CC[*:1] Cn1ccnc1S(=O)(=O)CCC[*:1]
Cn1ccnc1S(=O)(=O)CCCCC#N N#CCCC[*:1] Cn1ccnc1S(=O)(=O)C[*:1]
C[C@H](OC(=O)c1sccc1-n1cnnn1)c1nccs1 c1nnnn1[*:1] C[C@H](OC(=O)c1sccc1[*:1])c1nccs1
C[C@H](OC(=O)c1sccc1-n1cnnn1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)c1sccc1-n1cnnn1)[*:1]
NC(=O)[C@@H](NC(=O)C1CCCC1)c1ccccc1 NC(=O)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])C1CCCC1
NC(=O)[C@@H](NC(=O)C1CCCC1)c1ccccc1 C1CCC(C1)[*:1] NC(=O)[C@@H](NC(=O)[*:1])c1ccccc1
NC(=O)[C@@H](NC(=O)C1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)C1CCCC1)[*:1]
COc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CN1CCO[C@@H]2CCCC[C@@H]21
O=C(Cn1nc2n(c1=O)-c1ccccc1C1=[NH+]CCCN12)NCc1cccs1 O=C(NCc1cccs1)[*:1] O=c1n(C[*:1])nc2N3CCC[NH+]=C3c3ccccc3-n21
O=C(Cn1nc2n(c1=O)-c1ccccc1C1=[NH+]CCCN12)NCc1cccs1 c1csc(c1)[*:1] O=C(Cn1nc2N3CCC[NH+]=C3c3ccccc3-n2c1=O)NC[*:1]
O=C(Cn1nc2n(c1=O)-c1ccccc1C1=[NH+]CCCN12)NCc1cccs1 c1csc(c1)C[*:1] O=C(Cn1nc2N3CCC[NH+]=C3c3ccccc3-n2c1=O)N[*:1]
O=C(NCC1([C@H](O)c2ccccc2)CC1)c1c(O)cccc1O c1ccc(cc1)[*:1] O=C(NCC1(CC1)[C@H](O)[*:1])c1c(O)cccc1O
O=C([O-])COCCNC(=O)c1ccn[nH]1 O=C([O-])CO[*:1] O=C(NCC[*:1])c1ccn[nH]1
O=C([O-])COCCNC(=O)c1ccn[nH]1 c1cc([nH]n1)[*:1] O=C([O-])COCCNC(=O)[*:1]
O=C([O-])COCCNC(=O)c1ccn[nH]1 O=C([O-])C[*:1] O=C(NCCO[*:1])c1ccn[nH]1
O=C([O-])COCCNC(=O)c1ccn[nH]1 O=C([O-])[*:1] O=C(NCCOC[*:1])c1ccn[nH]1
CC(C)C[C@@H](C[NH+](C)C)NC(=O)NNC(=O)c1cccc2ccccc12 CC(C)[*:1] C[NH+](C)C[C@H](C[*:1])NC(=O)NNC(=O)c1cccc2ccccc12
CC(C)C[C@@H](C[NH+](C)C)NC(=O)NNC(=O)c1cccc2ccccc12 CC(C)C[*:1] C[NH+](C)C[C@@H](NC(=O)NNC(=O)c1cccc2ccccc12)[*:1]
O=C(Cn1cnnn1)NCCc1c(F)cccc1F c1nnnn1[*:1] O=C(C[*:1])NCCc1c(F)cccc1F
O=C(Cn1cnnn1)NCCc1c(F)cccc1F c1nnnn1C[*:1] O=C(NCCc1c(F)cccc1F)[*:1]
C[C@H](Sc1nncs1)C(=O)NC(=O)NCc1cccs1 c1nnc(S[*:1])s1 C[C@H](C(=O)NC(=O)NCc1cccs1)[*:1]
C[C@H](Sc1nncs1)C(=O)NC(=O)NCc1cccs1 c1csc(c1)[*:1] C[C@H](Sc1nncs1)C(=O)NC(=O)NC[*:1]
C[C@H](Sc1nncs1)C(=O)NC(=O)NCc1cccs1 c1nnc(s1)[*:1] C[C@H](S[*:1])C(=O)NC(=O)NCc1cccs1
C[C@H](Sc1nncs1)C(=O)NC(=O)NCc1cccs1 c1csc(c1)C[*:1] C[C@H](Sc1nncs1)C(=O)NC(=O)N[*:1]
C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccc(NC(=O)NC2CC2)cc1 Fc1cccc(c1F)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccc(cc1)[*:1]
C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccc(cc1)NC(=O)N[*:1]
CN(C(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccc(C(N)=O)cc1 c1ccc(cc1)[*:1] CN(C(=O)[C@@H]1CC(=NO1)[*:1])c1ccc(cc1)C(N)=O
CN(C(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccc(C(N)=O)cc1 NC(=O)[*:1] CN(C(=O)[C@@H]1CC(=NO1)c1ccccc1)c1ccc(cc1)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)c1ccco1 O=C(NC1CCCCC1)[*:1] O=C(c1ccco1)N(Cc1ccccc1Cl)[C@@H](c1ccncc1)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)c1ccco1 Clc1ccccc1C[*:1] O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C(=O)c1ccco1)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)c1ccco1 Clc1ccccc1[*:1] O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C[*:1])C(=O)c1ccco1
O=C(NC1CCCCC1)[C@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)c1ccco1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)c1ccco1
O=C(NC1CCCCC1)[C@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)c1ccco1 c1cc(ccn1)[*:1] O=C(NC1CCCCC1)[C@H](N(Cc1ccccc1Cl)C(=O)c1ccco1)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)c1ccco1 c1coc(c1)[*:1] O=C(NC1CCCCC1)[C@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)[*:1]
COC(=O)C1=C(C)C(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)=N[C@H]1C CC(C)(C)[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)O[C@@H](C)C(=O)NC(=O)N[*:1]
COC(=O)C1=C(C)C(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C
CO[C@H](C)c1nc(C[S@](=O)CCc2scnc2C)cs1 CO[C@H](C)[*:1] Cc1ncsc1CC[S@@](=O)Cc1csc(n1)[*:1]
CO[C@H](C)c1nc(C[S@](=O)CCc2scnc2C)cs1 Cc1ncsc1[*:1] CO[C@H](C)c1nc(cs1)C[S@](=O)CC[*:1]
C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1C1CCCCC1 C1CCC(CC1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1ccc(C)c(C)c1
C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1C1CCCCC1 C=CC[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(C2CCCCC2)n1[*:1]
C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1C1CCCCC1 Cc1ccc(cc1C)[*:1] C=CCn1c(nnc1C1CCCCC1)SCC(=O)N[*:1]
CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCN1CCCCCC1=O O=C1CCCCCN1[*:1] CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCC[*:1]
CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCN1CCCCCC1=O CCN(CC)C(=O)[*:1] O=C1CCCCCN1CCCNC(=O)N1CCC[C@@H]1[*:1]
O=C(Nc1ccccc1)c1cc2c(s1)CCN(C(=O)c1cccc3nscc13)C2 c1ccc(cc1)[*:1] O=C(N[*:1])c1cc2CN(CCc2s1)C(=O)c1cccc2nscc12
O=C(Nc1ccccc1)c1cc2c(s1)CCN(C(=O)c1cccc3nscc13)C2 O=C(Nc1ccccc1)[*:1] O=C(c1cccc2nscc12)N1CCc2sc(cc2C1)[*:1]
O=C(Nc1ccccc1)c1cc2c(s1)CCN(C(=O)c1cccc3nscc13)C2 c1cc(c2csnc2c1)[*:1] O=C(Nc1ccccc1)c1cc2CN(CCc2s1)C(=O)[*:1]
CCS(=O)(=O)CCNC(=O)CNC(=O)c1cc2ccccc2[nH]1 CCS(=O)(=O)C[*:1] O=C(CNC(=O)c1cc2ccccc2[nH]1)NC[*:1]
CCS(=O)(=O)CCNC(=O)CNC(=O)c1cc2ccccc2[nH]1 CCS(=O)(=O)CC[*:1] O=C(CNC(=O)c1cc2ccccc2[nH]1)N[*:1]
CCS(=O)(=O)CCNC(=O)CNC(=O)c1cc2ccccc2[nH]1 CCS(=O)(=O)[*:1] O=C(CNC(=O)c1cc2ccccc2[nH]1)NCC[*:1]
COC(=O)[C@H]([C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12)[N+](=O)[O-] COC(=O)[*:1] O=[N+]([O-])[C@@H]([C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12)[*:1]
COC(=O)[C@H]([C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12)[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)[C@H]([C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12)[*:1]
COC(=O)[C@H]([C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12)[N+](=O)[O-] Clc1ccc(cc1)[*:1] COC(=O)[C@H]([C@@H](c1c[nH]c2ccccc12)[*:1])[N+](=O)[O-]
CCOc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1 CCO[*:1] CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(cc1)[*:1])[C@@H](Br)C2=O
C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)[*:1]
C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)C[*:1]
CC[C@@H](CC#N)NC(=O)CCCCO N#CC[*:1] CC[C@@H](NC(=O)CCCCO)[*:1]
CC[C@@H](CC#N)NC(=O)CCCCO OCC[*:1] CC[C@@H](CC#N)NC(=O)CC[*:1]
CC[C@@H](CC#N)NC(=O)CCCCO OCCC[*:1] CC[C@@H](CC#N)NC(=O)C[*:1]
O=C(Nc1ccncc1)c1cc(C(=O)Nc2ccncc2)cc(N2C(=O)c3ccccc3C2=O)c1 O=C(Nc1ccncc1)[*:1] O=C(Nc1ccncc1)c1cc(cc(c1)[*:1])N1C(=O)c2ccccc2C1=O
O=C(Nc1ccncc1)c1cc(C(=O)Nc2ccncc2)cc(N2C(=O)c3ccccc3C2=O)c1 O=C1c2ccccc2C(=O)N1[*:1] O=C(Nc1ccncc1)c1cc(cc(c1)[*:1])C(=O)Nc1ccncc1
O=C(Nc1ccncc1)c1cc(C(=O)Nc2ccncc2)cc(N2C(=O)c3ccccc3C2=O)c1 c1cc(ccn1)[*:1] O=C(Nc1ccncc1)c1cc(cc(c1)N1C(=O)c2ccccc2C1=O)C(=O)N[*:1]
CCOc1cc(CNC(=O)C(C)(C)c2cccc(C#N)c2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])CNC(=O)C(C)(C)c1cccc(C#N)c1
CCOc1cc(CNC(=O)C(C)(C)c2cccc(C#N)c2)ccc1OC N#Cc1cccc(c1)[*:1] CCOc1cc(ccc1OC)CNC(=O)C(C)(C)[*:1]
Cc1ccc2c(c1)[C@H](NCc1cccc(N(C)C)[nH+]1)CCCO2 CN(C)[*:1] Cc1ccc2OCCC[C@@H](NCc3cccc([nH+]3)[*:1])c2c1
COCCCn1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)n1 COC[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)C(=O)Nc1ccn(CC[*:1])n1
COCCCn1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)n1 COCCC[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)C(=O)Nc1ccn(n1)[*:1]
COCCCn1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)n1 COCC[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)C(=O)Nc1ccn(C[*:1])n1
CCc1cc(C#N)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 O=[N+]([O-])[*:1] CCc1cc(C#N)c(NC(=O)c2ccc(cc2Cl)[*:1])s1
Cc1ccccc1NC(=O)c1c(C)n(C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)c1c(C)n(C)n(c1=O)[*:1]
Cc1ccccc1NC(=O)c1c(C)n(C)n(-c2ccccc2)c1=O Cc1ccccc1[*:1] Cc1c(C(=O)N[*:1])c(=O)n(-c2ccccc2)n1C
CCC(C)(C)NC(=O)[C@H](C)[S@](=O)Cc1ccc(F)cc1F CCC(C)(C)[*:1] C[C@@H](C(=O)N[*:1])[S@](=O)Cc1ccc(F)cc1F
COc1ccc(C(C)C)cc1S(=O)(=O)N1CC[C@@H](c2cc3nc(C)cc(O)n3n2)C1 CC(C)[*:1] COc1ccc(cc1S(=O)(=O)N1CC[C@H](C1)c1cc2nc(C)cc(O)n2n1)[*:1]
Cc1ccc(CSCCNC(=O)NNC(=O)c2cccnc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)CSCCNC(=O)NNC(=O)[*:1]
Cc1ccc(CSCCNC(=O)NNC(=O)c2cccnc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCSC[*:1])NNC(=O)c1cccnc1
Cc1ccc(CSCCNC(=O)NNC(=O)c2cccnc2)cc1 Cc1ccc(cc1)C[*:1] O=C(NCCS[*:1])NNC(=O)c1cccnc1
O=C(CC(c1ccccc1)c1ccccc1)Nc1nc[nH]n1 c1ccc(cc1)[*:1] O=C(CC(c1ccccc1)[*:1])Nc1nc[nH]n1
Cc1ccc(CCNC(=O)C(=O)Nc2cccnc2Cl)c(C)c1 Clc1ncccc1[*:1] Cc1ccc(CCNC(=O)C(=O)N[*:1])c(C)c1
CCCCN(C(=O)N[C@@H](C)c1nc(C)cs1)[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] CCCCN(C(=O)N[C@@H](C)c1nc(C)cs1)[*:1]
CCCCN(C(=O)N[C@@H](C)c1nc(C)cs1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCCCN(C(=O)N[C@@H](C)c1nc(C)cs1)[C@H](C)[*:1]
CCCCN(C(=O)N[C@@H](C)c1nc(C)cs1)[C@H](C)c1ccccc1 Cc1csc(n1)[C@H](C)[*:1] CCCCN(C(=O)N[*:1])[C@H](C)c1ccccc1
CCCCN(C(=O)N[C@@H](C)c1nc(C)cs1)[C@H](C)c1ccccc1 Cc1csc(n1)[*:1] CCCCN(C(=O)N[C@@H](C)[*:1])[C@H](C)c1ccccc1
CCCCN(C(=O)N[C@@H](C)c1nc(C)cs1)[C@H](C)c1ccccc1 CCC[*:1] Cc1csc(n1)[C@H](C)NC(=O)N(C[*:1])[C@H](C)c1ccccc1
CCCCN(C(=O)N[C@@H](C)c1nc(C)cs1)[C@H](C)c1ccccc1 CCCC[*:1] Cc1csc(n1)[C@H](C)NC(=O)N([C@H](C)c1ccccc1)[*:1]
CCc1ccc(O)c(C(=O)N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1 CCc1ccc(O)c(c1)[*:1] O=C(N1CCN(CC1)Cc1nc(no1)-c1cccc(c1)C(F)(F)F)[*:1]
CCc1ccc(O)c(C(=O)N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1 FC(F)(F)[*:1] CCc1ccc(O)c(c1)C(=O)N1CCN(CC1)Cc1nc(no1)-c1cccc(c1)[*:1]
CCc1ccc(O)c(C(=O)N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1 FC(F)(F)c1cccc(c1)[*:1] CCc1ccc(O)c(c1)C(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
CC[NH2+][C@@H](CC1CCC1)c1ncc[nH]1 C1CC(C1)[*:1] CC[NH2+][C@@H](C[*:1])c1ncc[nH]1
CC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 CC(=O)N[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccc(cc1F)[N+](=O)[O-]
CC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)OC(=O)c1ccc(cc1F)[*:1]
O=C1N(c2c(F)c(F)c(F)c(F)c2F)N=C(c2ccccc2)C1(Br)Br c1ccc(cc1)[*:1] O=C1N(N=C(C1(Br)Br)[*:1])c1c(F)c(F)c(F)c(F)c1F
O=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)C2=C[C@H]3N=CC=C3C=C2)C1 c1ccc(cc1)CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)C1C=CC2=CC=N[C@@H]2C=1
O=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)C2=C[C@H]3N=CC=C3C=C2)C1 c1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)C(=O)C1C=CC2=CC=N[C@@H]2C=1
O=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)C2=C[C@H]3N=CC=C3C=C2)C1 c1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)C1C=CC2=CC=N[C@@H]2C=1
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)OCCO2 C=CCNC(=O)[*:1] C[C@@H](OC(=O)c1ccc2OCCOc2c1)[*:1]
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)OCCO2 C=CC[*:1] C[C@@H](OC(=O)c1ccc2OCCOc2c1)C(=O)N[*:1]
COc1ccc(Cl)cc1S(=O)(=O)NC1(c2nc(C)no2)CCCCC1 Cc1noc(n1)[*:1] COc1ccc(Cl)cc1S(=O)(=O)NC1(CCCCC1)[*:1]
O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cccc(C2OCCO2)c1 C1COC(O1)[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cccc(c1)[*:1]
O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cccc(C2OCCO2)c1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@H](CO)C[*:1])c1cccc(c1)C1OCCO1
COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(C)c2Cl)CC1 COc1ccccc1[*:1] Cc1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCN(CC1)[*:1]
C[NH2+][C@@H](C)c1cc(F)c(C)cc1Sc1cnccn1 c1cnc(cn1)[*:1] C[NH2+][C@@H](C)c1cc(F)c(C)cc1S[*:1]
Cn1ccnc1[C@@H](NC(=O)c1nccc2ccccc12)c1ccc(F)c(F)c1 Cn1ccnc1[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])c1nccc2ccccc12
Cn1ccnc1[C@@H](NC(=O)c1nccc2ccccc12)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] Cn1ccnc1[C@@H](NC(=O)c1nccc2ccccc12)[*:1]
CCc1cnc(CN(C)C(=O)[C@H](Cc2ccccc2)n2nnnc2C)s1 CCc1cnc(C[*:1])s1 Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)[*:1]
CCc1cnc(CN(C)C(=O)[C@H](Cc2ccccc2)n2nnnc2C)s1 c1ccc(cc1)[*:1] CCc1cnc(CN(C)C(=O)[C@H](C[*:1])n2nnnc2C)s1
CCc1cnc(CN(C)C(=O)[C@H](Cc2ccccc2)n2nnnc2C)s1 Cc1nnnn1[*:1] CCc1cnc(CN(C)C(=O)[C@H](Cc2ccccc2)[*:1])s1
CCc1cnc(CN(C)C(=O)[C@H](Cc2ccccc2)n2nnnc2C)s1 CCc1cnc(s1)[*:1] Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)C[*:1]
CCc1cnc(CN(C)C(=O)[C@H](Cc2ccccc2)n2nnnc2C)s1 c1ccc(cc1)C[*:1] CCc1cnc(CN(C)C(=O)[C@H](n2nnnc2C)[*:1])s1
Cc1nc(C(C)(C)NC(=O)NCCCN2C(=O)CCC2=O)sc1C O=C1CCC(=O)N1C[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)NCC[*:1]
Cc1nc(C(C)(C)NC(=O)NCCCN2C(=O)CCC2=O)sc1C O=C1CCC(=O)N1[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)NCCC[*:1]
Cc1nc(C(C)(C)NC(=O)NCCCN2C(=O)CCC2=O)sc1C Cc1nc(sc1C)[*:1] CC(C)(NC(=O)NCCCN1C(=O)CCC1=O)[*:1]
Cc1nc2ncnn2c(NCCc2cccc(C(=O)N(C)C)c2)c1C CN(C)C(=O)[*:1] Cc1nc2ncnn2c(NCCc2cccc(c2)[*:1])c1C
CCC[C@@H](NC(=O)c1cccc2ncccc12)C(=O)Nc1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] CCC[C@@H](NC(=O)c1cccc2ncccc12)C(=O)Nc1cccc(c1)[*:1]
CCC[C@@H](NC(=O)c1cccc2ncccc12)C(=O)Nc1cccc(N2CCCC2)c1 CCC[*:1] O=C(N[C@@H](C(=O)Nc1cccc(c1)N1CCCC1)[*:1])c1cccc2ncccc12
CCC[C@@H](NC(=O)c1cccc2ncccc12)C(=O)Nc1cccc(N2CCCC2)c1 c1cc(c2cccnc2c1)[*:1] CCC[C@@H](NC(=O)[*:1])C(=O)Nc1cccc(c1)N1CCCC1
CCC[C@@H](C)[C@H](O)[C@@H]1CCO[C@]2(CCOC2)C1 CCC[*:1] C[C@@H]([C@H](O)[C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
CCC[C@@H](C)[C@H](O)[C@@H]1CCO[C@]2(CCOC2)C1 CCC[C@@H](C)[*:1] O[C@H]([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
O=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1cccc(F)c1 c1cnn(c1)[*:1] O=S(=O)(NCCNc1ccc(nn1)[*:1])c1cccc(F)c1
O=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=S(=O)(NCCNc1ccc(nn1)-n1cccn1)[*:1]
O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccccc1 O=S(=O)(N[*:1])c1ccccc1 c1ccc(cc1)N1CCN(CC1)[C@@H](C[*:1])c1cccnc1
O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccccc1 c1cncc(c1)[*:1] O=S(=O)(NC[C@@H](N1CCN(CC1)c1ccccc1)[*:1])c1ccccc1
O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(CC1)c1ccccc1)[*:1]
O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(CC1)[*:1])c1ccccc1
CCn1c(C[NH+]2CCC(Cc3cccnc3)CC2)nc2c(F)cccc21 c1cncc(c1)[*:1] CCn1c(C[NH+]2CCC(CC2)C[*:1])nc2c(F)cccc21
CCn1c(C[NH+]2CCC(Cc3cccnc3)CC2)nc2c(F)cccc21 c1cncc(c1)C[*:1] CCn1c(C[NH+]2CCC(CC2)[*:1])nc2c(F)cccc21
CN1CCN(C(=O)c2cnn(C)c2)C[C@@H]1C(N)=O NC(=O)[*:1] CN1CCN(C[C@H]1[*:1])C(=O)c1cnn(C)c1
CN1CCN(C(=O)c2cnn(C)c2)C[C@@H]1C(N)=O Cn1cc(cn1)[*:1] CN1CCN(C[C@@H]1C(N)=O)C(=O)[*:1]
COC1CC[NH+](CCNC(=O)c2cc3cnn(C(C)C)c3nc2C)CC1 CC(C)[*:1] COC1CC[NH+](CCNC(=O)c2cc3cnn(c3nc2C)[*:1])CC1
Cc1ccccc1-c1noc(-c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)n1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccccc1-c1noc(n1)-c1oc2ccc(cc2c1C)[*:1]
Cc1ccccc1-c1noc(-c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)n1 Cc1ccccc1[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCOCC1)-c1nc(no1)[*:1]
Cc1cncc(C(=O)N2CCCCC[C@@H]2CC(C)C)c1 CC(C)[*:1] Cc1cncc(c1)C(=O)N1CCCCC[C@@H]1C[*:1]
Cc1cncc(C(=O)N2CCCCC[C@@H]2CC(C)C)c1 CC(C)C[*:1] Cc1cncc(c1)C(=O)N1CCCCC[C@H]1[*:1]
C[C@H](NC(=O)CCCl)c1ccccc1 ClCC[*:1] C[C@H](NC(=O)[*:1])c1ccccc1
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@H](Oc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@H](Oc1ccccc1)[*:1]
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@H](Oc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@H](O[*:1])c1ccccc1
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@H](Oc1ccccc1)c1ccccc1 c1ccc(cc1)O[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@H](c1ccccc1)[*:1]
Cc1nc(S(=O)(=O)N[C@@H](C)CCC(C)(C)C)cn1C CC(C)(C)[*:1] Cc1nc(cn1C)S(=O)(=O)N[C@@H](C)CC[*:1]
Cc1nc(S(=O)(=O)N[C@@H](C)CCC(C)(C)C)cn1C CC(C)(C)CC[*:1] Cc1nc(cn1C)S(=O)(=O)N[C@@H](C)[*:1]
Cc1nc(S(=O)(=O)N[C@@H](C)CCC(C)(C)C)cn1C CC(C)(C)C[*:1] Cc1nc(cn1C)S(=O)(=O)N[C@@H](C)C[*:1]
O[C@H](CNCc1ccc2ccccc2c1)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](CNCc1ccc2ccccc2c1)[*:1]
CN(C)[C@@H](CNC(=O)c1ccccc1F)c1cccs1 CN(C)[*:1] O=C(NC[C@@H](c1cccs1)[*:1])c1ccccc1F
CN(C)[C@@H](CNC(=O)c1ccccc1F)c1cccs1 c1csc(c1)[*:1] CN(C)[C@@H](CNC(=O)c1ccccc1F)[*:1]
CC(=O)N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)[O-] CC(=O)N[*:1] O=C([O-])[C@H](Cc1cc(Br)c(O)c(Br)c1)[*:1]
CC(=O)N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H](Cc1cc(Br)c(O)c(Br)c1)[*:1]
CC[C@@](C)([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1CC1 C1CC1[*:1] CC[C@@](C)([NH3+])C(=O)N1CCC[C@H]1C(=O)N[*:1]
CC[C@@](C)([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1CC1 O=C(NC1CC1)[*:1] CC[C@@](C)([NH3+])C(=O)N1CCC[C@@H]1[*:1]
COC(=O)[C@H]1CN(Cc2c[nH]nc2-c2ccc(OC)cc2)CCO1 COc1ccc(cc1)[*:1] COC(=O)[C@H]1CN(CCO1)Cc1c[nH]nc1[*:1]
COC(=O)[C@H]1CN(Cc2c[nH]nc2-c2ccc(OC)cc2)CCO1 COC(=O)[*:1] COc1ccc(cc1)-c1n[nH]cc1CN1CCO[C@H](C1)[*:1]
CN1CCN(C(=O)CCNC(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CN1CCN(CC1)C(=O)CCNC(=O)[*:1]
Cc1cccc(N/N=C2\N=C(c3ccccc3)OC2=O)c1 Cc1cccc(c1)[*:1] O=C1OC(=N/C1=N\N[*:1])c1ccccc1
Cc1cccc(N/N=C2\N=C(c3ccccc3)OC2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N/N=C1\N=C(OC1=O)[*:1]
O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)-n1ccc(n1)[*:1])N1CCC1
O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCC1 O=C(N1CCC1)[*:1] FC(F)(F)c1ccn(n1)-c1ccc(cc1)[*:1]
O=C(NCCc1ccsc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] O=C(NCCc1ccsc1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(NCCc1ccsc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1cc(cs1)C[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
O=C(NCCc1ccsc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1cc(cs1)[*:1] O=C(NCC[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
O=C(NCCc1ccsc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] O=C(NCCc1ccsc1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCc1ccsc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1cc(cs1)CC[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
O=C(CCc1cccs1)N[C@H]1CCCCNC1=O c1csc(c1)[*:1] O=C(CC[*:1])N[C@H]1CCCCNC1=O
O=C(CCc1cccs1)N[C@H]1CCCCNC1=O c1csc(c1)C[*:1] O=C(C[*:1])N[C@H]1CCCCNC1=O
CCCCn1nc(C(=O)O[C@H]2CCCC[C@H]2CC)ccc1=O CCCC[*:1] CC[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(=O)n(n1)[*:1]
CCCCn1nc(C(=O)O[C@H]2CCCC[C@H]2CC)ccc1=O CCC[*:1] CC[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(=O)n(C[*:1])n1
COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C(C1CC1)N1c2ncnn2[C@@H](C[C@H]1[*:1])c1ccc(Cl)cc1
COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](c2ccc(Cl)cc2)n2ncnc2N1C(=O)[*:1]
COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](n2ncnc2N1C(=O)C1CC1)[*:1]
C[C@H]1CCCN(c2ncnc(Nc3ccccc3Cl)c2N)C1 C[C@H]1CCCN(C1)[*:1] Nc1c(ncnc1[*:1])Nc1ccccc1Cl
C[C@H]1CCCN(c2ncnc(Nc3ccccc3Cl)c2N)C1 Clc1ccccc1[*:1] C[C@H]1CCCN(C1)c1ncnc(N[*:1])c1N
CCC[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 c1ccc(C[*:1])nc1 CCC[NH2+]Cc1cc(C)c(O[*:1])c(C)c1
CCC[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 c1ccc(nc1)[*:1] CCC[NH2+]Cc1cc(C)c(OC[*:1])c(C)c1
CC[C@H](C)[C@@H](NC(=O)[C@@H](C)NC(C)=O)c1nc2ccccc2[nH]1 CC(=O)N[C@H](C)[*:1] CC[C@H](C)[C@@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
CC[C@H](C)[C@@H](NC(=O)[C@@H](C)NC(C)=O)c1nc2ccccc2[nH]1 CC[C@H](C)[*:1] CC(=O)N[C@H](C)C(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
CC[C@H](C)[C@@H](NC(=O)[C@@H](C)NC(C)=O)c1nc2ccccc2[nH]1 CC(=O)N[*:1] CC[C@H](C)[C@@H](NC(=O)[C@@H](C)[*:1])c1nc2ccccc2[nH]1
Cc1[nH+]cn(C[C@@H](C)N[C@@H](C)C(=O)OC(C)(C)C)c1C CC(C)(C)[*:1] Cc1[nH+]cn(C[C@@H](C)N[C@@H](C)C(=O)O[*:1])c1C
CCC[NH+]1CCN(C(=O)CCC(=O)N2CCc3c(c(C(=O)Nc4cccc(F)c4)nn3C)C2)CC1 Fc1cccc(c1)[*:1] CCC[NH+]1CCN(CC1)C(=O)CCC(=O)N1CCc2c(C1)c(nn2C)C(=O)N[*:1]
CCC[NH+]1CCN(C(=O)CCC(=O)N2CCc3c(c(C(=O)Nc4cccc(F)c4)nn3C)C2)CC1 O=C(Nc1cccc(F)c1)[*:1] CCC[NH+]1CCN(CC1)C(=O)CCC(=O)N1CCc2c(C1)c(nn2C)[*:1]
Clc1nnc(SC2COC2)c2ccccc12 C1OCC1S[*:1] Clc1nnc(c2ccccc12)[*:1]
Clc1nnc(SC2COC2)c2ccccc12 C1OCC1[*:1] Clc1nnc(S[*:1])c2ccccc12
Cc1cccc(C)c1OCC(=O)Nc1nc(-c2cccs2)ns1 c1csc(c1)[*:1] Cc1cccc(C)c1OCC(=O)Nc1nc(ns1)[*:1]
CCC(C)(C)NC(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 CCC(C)(C)NC(=O)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])[C@H]1CCCO1
CCC(C)(C)NC(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 CCC(C)(C)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)C(=O)N[*:1])[C@H]1CCCO1
CCC(C)(C)NC(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CCC(C)(C)NC(=O)c1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
CC(C)c1ocnc1C[NH+]1CCC(N2CCCCC2=O)CC1 O=C1CCCCN1[*:1] CC(C)c1ocnc1C[NH+]1CCC(CC1)[*:1]
CC(C)c1ocnc1C[NH+]1CCC(N2CCCCC2=O)CC1 CC(C)[*:1] O=C1CCCCN1C1CC[NH+](CC1)Cc1ncoc1[*:1]
COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O Fc1ccc(cc1)[*:1] COc1ccccc1Oc1ccc2C(=O)N(C(=O)c2c1)[*:1]
COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O COc1ccccc1[*:1] O=C1c2ccc(cc2C(=O)N1c1ccc(F)cc1)O[*:1]
COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O COc1ccccc1O[*:1] O=C1c2ccc(cc2C(=O)N1c1ccc(F)cc1)[*:1]
CCc1ncc(CNCC(=O)NC2CCCCC2)s1 C1CCC(CC1)[*:1] CCc1ncc(CNCC(=O)N[*:1])s1
CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3C(C)C)cn1 CCn1cc(cn1)[*:1] Cc1cc(C(=O)N[*:1])c2c(C)nn(c2n1)C(C)C
CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3C(C)C)cn1 CC(C)[*:1] CCn1cc(cn1)NC(=O)c1cc(C)nc2c1c(C)nn2[*:1]
C[C@H]1CCC[C@@H](NC(=O)NCCCN2CCOCC2)C1 C1CN(CCO1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)NCCC[*:1]
C[C@@H](O/N=C(/N)c1cccs1)C(=O)Nc1cccc(C#N)c1 c1csc(c1)[*:1] C[C@@H](O/N=C(/N)[*:1])C(=O)Nc1cccc(C#N)c1
Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cs1 Cc1nc(cs1)[*:1] O=C(Nc1cc(ccc1OC(F)F)[N+](=O)[O-])[*:1]
Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cs1 FC(F)[*:1] Cc1nc(cs1)C(=O)Nc1cc(ccc1O[*:1])[N+](=O)[O-]
Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cs1 O=[N+]([O-])[*:1] Cc1nc(cs1)C(=O)Nc1cc(ccc1OC(F)F)[*:1]
Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cs1 FC(F)O[*:1] Cc1nc(cs1)C(=O)Nc1cc(ccc1[*:1])[N+](=O)[O-]
CSCc1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 c1ccc(cc1)[*:1] CSCc1cccc(c1)C(=O)Nc1cccc(c1)NS(=O)(=O)[*:1]
CSCc1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 CSC[*:1] O=C(Nc1cccc(c1)NS(=O)(=O)c1ccccc1)c1cccc(c1)[*:1]
CSCc1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 CSCc1cccc(c1)[*:1] O=C(Nc1cccc(c1)NS(=O)(=O)c1ccccc1)[*:1]
CCC(=O)N(C)c1ccccc1C(=O)NC[C@H]1CCO[C@H]1C(C)(C)C CC(C)(C)[*:1] CCC(=O)N(C)c1ccccc1C(=O)NC[C@H]1CCO[C@@H]1[*:1]
CCC(=O)N(C)c1ccccc1C(=O)NC[C@H]1CCO[C@H]1C(C)(C)C CCC(=O)N(C)[*:1] CC(C)(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1[*:1]
NC(=O)c1cccc(OC(=O)CCN2CCCC2=O)c1 NC(=O)[*:1] O=C(CCN1CCCC1=O)Oc1cccc(c1)[*:1]
NC(=O)c1cccc(OC(=O)CCN2CCCC2=O)c1 O=C1CCCN1[*:1] NC(=O)c1cccc(c1)OC(=O)CC[*:1]
Cc1ccc([C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C2CC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@@H]([NH2+]Cc1ccc(cc1)NC(=O)[*:1])C1CC1
Cc1ccc([C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C2CC2)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])C1CC1
Cc1ccc([C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]([NH2+]Cc1ccc(cc1)NC(=O)c1ccco1)[*:1]
Cc1ccc([C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C[NH2+][C@@H](C1CC1)[*:1])c1ccco1
Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 CC(C)(C)[*:1] Cc1noc(C)c1COc1ccc(cc1)CC(=O)Nc1cc(ccc1O)[*:1]
Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 Cc1noc(C)c1CO[*:1] CC(C)(C)c1ccc(O)c(c1)NC(=O)Cc1ccc(cc1)[*:1]
Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 Cc1noc(C)c1[*:1] CC(C)(C)c1ccc(O)c(c1)NC(=O)Cc1ccc(cc1)OC[*:1]
Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 Cc1noc(C)c1C[*:1] CC(C)(C)c1ccc(O)c(c1)NC(=O)Cc1ccc(cc1)O[*:1]
C[C@H](OC(=O)c1ccccc1F)C(=O)Nc1ccc(F)cc1Cl Fc1ccccc1[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1ccc(F)cc1Cl
COc1nn(C)cc1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] COc1nn(C)cc1C(=O)NC[*:1]
CCN(C(=O)Cc1cccc(F)c1F)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)Cc1cccc(F)c1F)[*:1]
CCCc1ccc(S(=O)(=O)N[C@H]2COc3c(cccc3OC)C2)cc1 CCC[*:1] COc1cccc2C[C@H](COc21)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc([C@@H](C)OC(=O)c2ccc(N3CCNC3=O)cc2)cc1 O=C1NCCN1[*:1] Cc1ccc(cc1)[C@@H](C)OC(=O)c1ccc(cc1)[*:1]
Cc1ccc([C@@H](C)OC(=O)c2ccc(N3CCNC3=O)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](OC(=O)c1ccc(cc1)N1CCNC1=O)[*:1]
O=C(CCn1cnnn1)N[C@H]1CN(C(=O)C2CCC2)C[C@@H]1C1CC1 c1nnnn1C[*:1] O=C(C[*:1])N[C@H]1CN(C[C@@H]1C1CC1)C(=O)C1CCC1
O=C(CCn1cnnn1)N[C@H]1CN(C(=O)C2CCC2)C[C@@H]1C1CC1 C1CC(C1)[*:1] O=C(CCn1cnnn1)N[C@H]1CN(C[C@@H]1C1CC1)C(=O)[*:1]
O=C(CCn1cnnn1)N[C@H]1CN(C(=O)C2CCC2)C[C@@H]1C1CC1 c1nnnn1CC[*:1] O=C(C1CCC1)N1C[C@H](C2CC2)[C@H](C1)NC(=O)[*:1]
O=C(CCn1cnnn1)N[C@H]1CN(C(=O)C2CCC2)C[C@@H]1C1CC1 C1CC1[*:1] O=C(CCn1cnnn1)N[C@H]1CN(C[C@H]1[*:1])C(=O)C1CCC1
O=C(CCn1cnnn1)N[C@H]1CN(C(=O)C2CCC2)C[C@@H]1C1CC1 c1nnnn1[*:1] O=C(CC[*:1])N[C@H]1CN(C[C@@H]1C1CC1)C(=O)C1CCC1
CC(C)c1ocnc1CSc1nnc(-c2ccncc2)n1C CC(C)[*:1] Cn1c(nnc1-c1ccncc1)SCc1ncoc1[*:1]
CC(C)c1ocnc1CSc1nnc(-c2ccncc2)n1C c1cc(ccn1)[*:1] CC(C)c1ocnc1CSc1nnc(n1C)[*:1]
CCC(=O)Nc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1C Clc1cccc(c1)[*:1] CCC(=O)Nc1cc(ccc1C)NC(=S)NC(=O)[*:1]
CCC(=O)Nc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1C CCC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=S)NC(=O)c1cccc(Cl)c1
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 Clc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)OC[C@@H]1CCCO1
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)OC[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 Clc1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1cccc(c1)OC[C@@H]1CCCO1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)O[*:1]
CCc1ccc(CCC(=O)NC#N)cc1 N#CNC(=O)[*:1] CCc1ccc(cc1)CC[*:1]
Cc1cc2nc(C(=O)N3CC[C@H](c4ccccc4F)C3)cc(C)n2n1 Fc1ccccc1[*:1] Cc1cc2nc(cc(C)n2n1)C(=O)N1CC[C@H](C1)[*:1]
Cc1nc2ccccc2nc1N1CCN(CCOC(C)C)CC1 CC(C)O[*:1] Cc1nc2ccccc2nc1N1CCN(CC1)CC[*:1]
Cc1nc2ccccc2nc1N1CCN(CCOC(C)C)CC1 CC(C)[*:1] Cc1nc2ccccc2nc1N1CCN(CCO[*:1])CC1
Cc1nc2ccccc2nc1N1CCN(CCOC(C)C)CC1 CC(C)OC[*:1] Cc1nc2ccccc2nc1N1CCN(CC1)C[*:1]
Cc1nc2ccccc2nc1N1CCN(CCOC(C)C)CC1 CC(C)OCC[*:1] Cc1nc2ccccc2nc1N1CCN(CC1)[*:1]
O=C(Cn1ccnc1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 c1cn(cn1)[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)c1cccc(Cl)c1
O=C(Cn1ccnc1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cn1ccnc1)N[C@@H](c1ccccc1)[*:1]
O=C(Cn1ccnc1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 c1cn(cn1)C[*:1] O=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)[*:1]
O=C(Cn1ccnc1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(Cn1ccnc1)N[C@@H](c1cccc(Cl)c1)[*:1]
COCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)oc2ccccc12 COC[*:1] Cc1cc(C)c(CNC(=O)c2oc3ccccc3c2[*:1])c(=O)[nH]1
CC[C@H](NC(=O)CNC(=O)c1cccc(C)c1)C(=O)OC Cc1cccc(c1)[*:1] CC[C@H](NC(=O)CNC(=O)[*:1])C(=O)OC
CC[C@H](NC(=O)CNC(=O)c1cccc(C)c1)C(=O)OC CC[C@H](C(=O)OC)[*:1] Cc1cccc(c1)C(=O)NCC(=O)N[*:1]
CC[C@H](NC(=O)CNC(=O)c1cccc(C)c1)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)CNC(=O)c1cccc(C)c1)[*:1]
COc1ccc(NC(=O)C(=O)NCC(C)(C)c2ccccc2)cc1C c1ccc(cc1)[*:1] COc1ccc(cc1C)NC(=O)C(=O)NCC(C)(C)[*:1]
CCOCCC[C@@H](CCl)c1ccccc1F CCOCC[*:1] Fc1ccccc1[C@H](CCl)C[*:1]
CCOCCC[C@@H](CCl)c1ccccc1F CCO[*:1] Fc1ccccc1[C@H](CCl)CCC[*:1]
CCOCCC[C@@H](CCl)c1ccccc1F CCOC[*:1] Fc1ccccc1[C@H](CCl)CC[*:1]
CCC[C@@H](C)COc1ccc(F)cc1N CCC[C@@H](C)[*:1] Nc1cc(F)ccc1OC[*:1]
CCC[C@@H](C)COc1ccc(F)cc1N CCC[*:1] C[C@@H](COc1ccc(F)cc1N)[*:1]
COCCOC1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 COCC[*:1] c1ccc(cc1)-c1ccc(C[NH+]2CCC(CC2)O[*:1])o1
COCCOC1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 COCCO[*:1] c1ccc(cc1)-c1ccc(C[NH+]2CCC(CC2)[*:1])o1
COCCOC1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 c1ccc(cc1)[*:1] COCCOC1CC[NH+](CC1)Cc1ccc(o1)[*:1]
COCCOC1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 COC[*:1] c1ccc(cc1)-c1ccc(C[NH+]2CCC(CC2)OC[*:1])o1
CC(C)c1ccc(NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1Nc2ccccc2S(=O)(=O)N1
COC(=O)[C@@H]1CN(C(=O)N(CC(=O)[O-])C(C)(C)C)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)N(CC(=O)[O-])C(C)(C)C
COC(=O)[C@@H]1CN(C(=O)N(CC(=O)[O-])C(C)(C)C)C[C@H]1C O=C([O-])[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)N(C[*:1])C(C)(C)C
COC(=O)[C@@H]1CN(C(=O)N(CC(=O)[O-])C(C)(C)C)C[C@H]1C CC(C)(C)[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)N(CC(=O)[O-])[*:1]
COC(=O)[C@@H]1CN(C(=O)N(CC(=O)[O-])C(C)(C)C)C[C@H]1C O=C([O-])C[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)N(C(C)(C)C)[*:1]
C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)C1 C1CC(CCO1)[*:1] C[C@@H]1CCC[C@H](C1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCCCN/C([O-])=C(\C#N)C(=O)c1coc(Br)c1 Brc1cc(co1)[*:1] CCCCN/C([O-])=C(\C#N)C(=O)[*:1]
CCCCN/C([O-])=C(\C#N)C(=O)c1coc(Br)c1 CCCC[*:1] N#C/C(C(=O)c1coc(Br)c1)=C(/[O-])N[*:1]
CCCCN/C([O-])=C(\C#N)C(=O)c1coc(Br)c1 CCC[*:1] N#C/C(C(=O)c1coc(Br)c1)=C(/[O-])NC[*:1]
CCCCN/C([O-])=C(\C#N)C(=O)c1coc(Br)c1 CCCCN[*:1] N#C/C(C(=O)c1coc(Br)c1)=C(/[O-])[*:1]
NC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c(Cl)c1 NC(=O)[*:1] O=C(Nc1ncc(cc1Cl)[*:1])[C@@H]1C[C@H]1c1ccccc1F
NC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c(Cl)c1 Fc1ccccc1[*:1] NC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H]2[*:1])c(Cl)c1
CC[C@H](COC)NC(=O)c1ccccc1Cn1cncn1 COC[*:1] CC[C@H](NC(=O)c1ccccc1Cn1cncn1)[*:1]
CC[C@H](COC)NC(=O)c1ccccc1Cn1cncn1 CC[C@H](COC)[*:1] O=C(N[*:1])c1ccccc1Cn1cncn1
CC[C@H](COC)NC(=O)c1ccccc1Cn1cncn1 c1ncn(C[*:1])n1 CC[C@H](COC)NC(=O)c1ccccc1[*:1]
CC[C@H](COC)NC(=O)c1ccccc1Cn1cncn1 c1ncn(n1)[*:1] CC[C@H](COC)NC(=O)c1ccccc1C[*:1]
COC(=O)[C@@H](C)NCc1ccccc1 COC(=O)[*:1] C[C@@H](NCc1ccccc1)[*:1]
CSC(C)(C)CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O Clc1cccc(c1)[*:1] CSC(C)(C)CNC(=O)N[C@H]1CCN(C1=O)[*:1]
CSC(C)(C)CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O CSC(C)(C)C[*:1] O=C(N[C@H]1CCN(C1=O)c1cccc(Cl)c1)N[*:1]
CSC(C)(C)CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O CSC(C)(C)[*:1] O=C(NC[*:1])N[C@H]1CCN(C1=O)c1cccc(Cl)c1
COc1ccc(OCC(=O)Nc2cc(-n3nnnc3C)ccc2F)cc1 Cc1nnnn1[*:1] COc1ccc(cc1)OCC(=O)Nc1cc(ccc1F)[*:1]
COc1ccc(OCC(=O)Nc2cc(-n3nnnc3C)ccc2F)cc1 COc1ccc(cc1)[*:1] Cc1nnnn1-c1ccc(F)c(c1)NC(=O)CO[*:1]
Cc1nn(CC(=O)NC[C@@H](C)c2cccs2)c(=O)c2ccccc12 c1csc(c1)[*:1] Cc1nn(CC(=O)NC[C@@H](C)[*:1])c(=O)c2ccccc12
Cc1cc2n(n1)CCC(=O)N2CC(=O)NC(C)C CC(C)[*:1] Cc1cc2N(CC(=O)N[*:1])C(=O)CCn2n1
Cc1cc2n(n1)CCC(=O)N2CC(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1cc2N(C[*:1])C(=O)CCn2n1
COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)NC1CCCC1 O=S(=O)(NC1CCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cc(Cl)ccc1Cl
COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)NC1CCCC1 Clc1ccc(Cl)c(c1)[*:1] COc1ccc(cc1S(=O)(=O)NC1CCCC1)C(=O)N[*:1]
COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)NC1CCCC1 C1CCC(C1)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)Nc1cc(Cl)ccc1Cl
COc1ccccc1NC(=O)COC(=O)c1cc(C(C)=O)n2ccccc12 COc1ccccc1[*:1] CC(=O)c1cc(C(=O)OCC(=O)N[*:1])c2ccccn12
COc1ccccc1NC(=O)COC(=O)c1cc(C(C)=O)n2ccccc12 CC(=O)[*:1] COc1ccccc1NC(=O)COC(=O)c1cc(n2ccccc12)[*:1]
CC(C)[C@@H](NC(=O)c1cc(C#N)cs1)c1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] CC(C)[C@@H](NC(=O)c1cc(C#N)cs1)c1nc(no1)[*:1]
CC(C)[C@@H](NC(=O)c1cc(C#N)cs1)c1nc(-c2ccncc2)no1 N#Cc1csc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])c1nc(no1)-c1ccncc1
CC(C)[C@@H](NC(=O)c1cc(C#N)cs1)c1nc(-c2ccncc2)no1 CC(C)[*:1] N#Cc1csc(c1)C(=O)N[C@@H](c1nc(no1)-c1ccncc1)[*:1]
COc1ccccc1N1CCN(c2ccc(C(=O)NC3CC3)cn2)CC1 O=C(NC1CC1)[*:1] COc1ccccc1N1CCN(CC1)c1ccc(cn1)[*:1]
COc1ccccc1N1CCN(c2ccc(C(=O)NC3CC3)cn2)CC1 C1CC1[*:1] COc1ccccc1N1CCN(CC1)c1ccc(cn1)C(=O)N[*:1]
COc1ccccc1N1CCN(c2ccc(C(=O)NC3CC3)cn2)CC1 COc1ccccc1[*:1] O=C(NC1CC1)c1ccc(nc1)N1CCN(CC1)[*:1]
CCCS[C@H](C)C(=O)Nc1ccccc1C(F)(F)F CCCS[C@H](C)[*:1] O=C(Nc1ccccc1C(F)(F)F)[*:1]
CCCS[C@H](C)C(=O)Nc1ccccc1C(F)(F)F CCC[*:1] C[C@@H](S[*:1])C(=O)Nc1ccccc1C(F)(F)F
CCCS[C@H](C)C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] CCCS[C@H](C)C(=O)Nc1ccccc1[*:1]
CCCS[C@H](C)C(=O)Nc1ccccc1C(F)(F)F CCCS[*:1] C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[*:1]
Nc1cc(Cl)cc(Cl)c1NC(=O)CCN1CCOCC1=O O=C1COCCN1[*:1] Nc1cc(Cl)cc(Cl)c1NC(=O)CC[*:1]
O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1 Clc1ccc(cc1Cl)C[*:1] O=C(N(Cc1nnc(o1)-c1ccccc1Br)C1CC1)[*:1]
O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1 Brc1ccccc1[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1nnc(o1)[*:1])C1CC1
O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1 C1CC1[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1nnc(o1)-c1ccccc1Br)[*:1]
O=C(Cc1ccc(Cl)c(Cl)c1)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1 Clc1ccc(cc1Cl)[*:1] O=C(C[*:1])N(Cc1nnc(o1)-c1ccccc1Br)C1CC1
O=C(Cn1nc(-c2ccccc2)ccc1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1)NNC(=O)c1cn(nc1-c1ccccc1)[*:1]
O=C(Cn1nc(-c2ccccc2)ccc1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])NNC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1
O=C(Cn1nc(-c2ccccc2)ccc1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1)NNC(=O)c1cn(nc1[*:1])-c1ccccc1
CCOc1ccccc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 CCO[*:1] O=C(CN1CCN(CC1)c1ccccc1[*:1])Nc1ccc(cc1Br)[N+](=O)[O-]
CCOc1ccccc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 CCOc1ccccc1[*:1] O=C(CN1CCN(CC1)[*:1])Nc1ccc(cc1Br)[N+](=O)[O-]
CCOc1ccccc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 O=[N+]([O-])[*:1] CCOc1ccccc1N1CCN(CC1)CC(=O)Nc1ccc(cc1Br)[*:1]
C[NH2+][C@H](C)c1ccnc(Oc2ccc(C)cc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[NH2+][C@H](C)c1ccnc(c1)Oc1ccc(C)cc1[*:1]
COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccn(C)n2)o1 Cn1ccc(n1)[*:1] COc1ccc(Cl)cc1C(=O)Nc1nnc(o1)[*:1]
COc1ccc2c(=O)c(C(=O)N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c[nH]c2c1 Cc1cc(C)c(c(C)c1)[*:1] COc1ccc2c(=O)c(c[nH]c2c1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CN(C)c1ncc(NC(=O)Nc2cccc(C(F)(F)F)c2)cn1 CN(C)[*:1] O=C(Nc1cnc(nc1)[*:1])Nc1cccc(c1)C(F)(F)F
CN(C)c1ncc(NC(=O)Nc2cccc(C(F)(F)F)c2)cn1 FC(F)(F)[*:1] CN(C)c1ncc(cn1)NC(=O)Nc1cccc(c1)[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H](C)c1ccc(F)c(F)c1 CNC(=O)[*:1] C[C@@H](CNC(=O)N1CCC[C@H]1[*:1])c1ccc(F)c(F)c1
C[C@H](c1c(F)cccc1F)S(=O)(=O)CCOC1CCCCCC1 C1CCCC(CC1)[*:1] C[C@H](c1c(F)cccc1F)S(=O)(=O)CCO[*:1]
C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)Nc2c(F)c(F)cc(F)c2F)C(=O)N1Cc1ccccc1 Fc1cc(F)c(F)c(c1F)[*:1] C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)N[*:1])C(=O)N1Cc1ccccc1
C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)Nc2c(F)c(F)cc(F)c2F)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)Nc2c(F)c(F)cc(F)c2F)C(=O)N1C[*:1]
C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)Nc2c(F)c(F)cc(F)c2F)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)Nc2c(F)c(F)cc(F)c2F)C(=O)N1[*:1]
CCOc1ccc(C)cc1C(=O)c1ccc(CC)o1 CCO[*:1] CCc1ccc(o1)C(=O)c1cc(C)ccc1[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCc1ccccc1F Fc1ccccc1[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NC[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCc1ccccc1F Fc1ccccc1C[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCc1ccccc1F O=C(N1CCCC1)[*:1] Cc1cccc(c1NC(=O)NCc1ccccc1F)[*:1]
CN(C(=O)c1cccn1CC(=O)[O-])c1ccc(F)cc1 O=C([O-])[*:1] CN(C(=O)c1cccn1C[*:1])c1ccc(F)cc1
CN(C(=O)c1cccn1CC(=O)[O-])c1ccc(F)cc1 O=C([O-])C[*:1] CN(C(=O)c1cccn1[*:1])c1ccc(F)cc1
O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1CCCN1C(=O)C1CCCCC1 C1CCC(CC1)[*:1] O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1CCCN1C(=O)[*:1]
O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1CCCN1C(=O)C1CCCCC1 Fc1cccc(c1)[*:1] O=C(N[C@H]1C[C@H]1[*:1])[C@@H]1CCCN1C(=O)C1CCCCC1
CCOC[C@H]1CCN(C(=O)NC[C@@H](C)c2ccc(F)cc2F)C1 CCOC[*:1] C[C@H](CNC(=O)N1CC[C@@H](C1)[*:1])c1ccc(F)cc1F
CCOC[C@H]1CCN(C(=O)NC[C@@H](C)c2ccc(F)cc2F)C1 CCO[*:1] C[C@H](CNC(=O)N1CC[C@@H](C1)C[*:1])c1ccc(F)cc1F
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1 Cn1nc(ccc1=O)[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)[*:1]
CN(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](Cc3ccccc3)S2)cc1 c1ccc(cc1)[*:1] CN(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](C[*:1])S2)cc1
CN(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](Cc3ccccc3)S2)cc1 c1ccc(cc1)C[*:1] CN(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](S2)[*:1])cc1
CN(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](Cc3ccccc3)S2)cc1 CN(C)[*:1] O=C1N/C(=N\N=C/c2ccc(cc2)[*:1])S[C@H]1Cc1ccccc1
[NH3+]CCN(C(=O)N1CCCCCC1)C1CCCC1 C1CCC(C1)[*:1] [NH3+]CCN(C(=O)N1CCCCCC1)[*:1]
COc1ccccc1[C@H](C)NC(=O)N(Cc1cccnc1)C(C)C CC(C)[*:1] COc1ccccc1[C@H](C)NC(=O)N(Cc1cccnc1)[*:1]
COc1ccccc1[C@H](C)NC(=O)N(Cc1cccnc1)C(C)C c1cncc(c1)[*:1] COc1ccccc1[C@H](C)NC(=O)N(C[*:1])C(C)C
COc1ccccc1[C@H](C)NC(=O)N(Cc1cccnc1)C(C)C COc1ccccc1[*:1] CC(C)N(Cc1cccnc1)C(=O)N[C@@H](C)[*:1]
COc1ccccc1[C@H](C)NC(=O)N(Cc1cccnc1)C(C)C c1cncc(c1)C[*:1] COc1ccccc1[C@H](C)NC(=O)N(C(C)C)[*:1]
Clc1ccc(N2CCC(OC[C@H]3CCCO3)CC2)nc1 C1CO[C@H](C1)C[*:1] Clc1ccc(nc1)N1CCC(CC1)O[*:1]
Clc1ccc(N2CCC(OC[C@H]3CCCO3)CC2)nc1 C1CO[C@H](C1)[*:1] Clc1ccc(nc1)N1CCC(CC1)OC[*:1]
COc1ccc([C@@H](C)[NH2+]Cc2c(C(=O)N3CCCC3)nc3ccccn23)cc1 COc1ccc(cc1)[*:1] C[C@@H]([NH2+]Cc1c(nc2ccccn12)C(=O)N1CCCC1)[*:1]
COc1ccc([C@@H](C)[NH2+]Cc2c(C(=O)N3CCCC3)nc3ccccn23)cc1 O=C(N1CCCC1)[*:1] COc1ccc(cc1)[C@@H](C)[NH2+]Cc1c(nc2ccccn12)[*:1]
COCc1cc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)no1 c1ccc(cc1)[*:1] COCc1cc(no1)C(=O)N[C@H](Cn1cncn1)[*:1]
COCc1cc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)no1 COCc1cc(no1)[*:1] O=C(N[C@H](Cn1cncn1)c1ccccc1)[*:1]
COCc1cc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)no1 c1ncn(n1)[*:1] COCc1cc(no1)C(=O)N[C@H](C[*:1])c1ccccc1
COCc1cc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)no1 c1ncn(C[*:1])n1 COCc1cc(no1)C(=O)N[C@H](c1ccccc1)[*:1]
COCc1cc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)no1 COC[*:1] O=C(N[C@H](Cn1cncn1)c1ccccc1)c1cc(on1)[*:1]
Cn1cc(S(=O)(=O)NCCN2CCN(c3ccccc3O)CC2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(NCCN1CCN(CC1)c1ccccc1O)[*:1]
Cn1cc(S(=O)(=O)NCCN2CCN(c3ccccc3O)CC2)cn1 Oc1ccccc1[*:1] Cn1cc(cn1)S(=O)(=O)NCCN1CCN(CC1)[*:1]
Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccsc2)c1 c1cc(cs1)[*:1] Cc1cccc(c1)C(=O)N[C@H](C)C(=O)N[*:1]
NC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1ccncc1 NC(=O)[*:1] [NH3+][C@]1(CCC[C@H]1CCSc1ccncc1)[*:1]
NC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1ccncc1 c1cc(ccn1)[*:1] NC(=O)[C@@]1([NH3+])CCC[C@H]1CCS[*:1]
C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 O=[N+]([O-])[*:1] C[C@@H](NS(=O)(=O)c1ccccc1[*:1])c1ccc(Cl)cc1
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2cnc(C3CC3)s2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)c1cnc(s1)[*:1]
Cc1ccc(C)c([C@H](C)[NH2+][C@H](CO)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)[C@H](C)[NH2+][C@H](CO)[*:1]
CCCNc1cc[nH+]c(Cn2ccsc2=O)c1 CCCN[*:1] O=c1sccn1Cc1cc(cc[nH+]1)[*:1]
CCCNc1cc[nH+]c(Cn2ccsc2=O)c1 CCC[*:1] O=c1sccn1Cc1cc(cc[nH+]1)N[*:1]
O=c1[nH]c([O-])ncc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=c1[nH]c([O-])ncc1S(=O)(=O)N(Cc1ccccc1)[*:1]
O=c1[nH]c([O-])ncc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]c([O-])ncc1S(=O)(=O)N(Cc1ccccc1)C[*:1]
CN(CCS(C)(=O)=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)N1CCO[C@@H](C1)C(=O)[O-]
CN(CCS(C)(=O)=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 CS(=O)(=O)CC[*:1] CN(C(=O)N1CCO[C@@H](C1)C(=O)[O-])[*:1]
CN(CCS(C)(=O)=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)N1CCO[C@@H](C1)C(=O)[O-]
CN(CCS(C)(=O)=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CN(CCS(C)(=O)=O)C(=O)N1CCO[C@H](C1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cn1c(=O)cnc2ccccc21 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN(C)C(=O)Cn1c(=O)cnc2ccccc21)[*:1]
Cc1cc(F)cc(N[C@](C)(C(=O)[O-])c2cccc(F)c2)c1 O=C([O-])[*:1] Cc1cc(F)cc(c1)N[C@](C)(c1cccc(F)c1)[*:1]
Cc1cc(F)cc(N[C@](C)(C(=O)[O-])c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] Cc1cc(F)cc(c1)N[C@](C)(C(=O)[O-])[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Clc1ccc(cc1)O[*:1] C[C@@H](C(=O)N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(CC1)OC[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(CC1)O[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N1CCC(CC1)OCc1ccc(F)cc1
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(CC1)[*:1]
C[C@H](C(=O)NCC(F)(F)F)[S@@](=O)Cc1ccc(F)cc1Cl FC(F)(F)C[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1ccc(F)cc1Cl
C[C@H](C(=O)NCC(F)(F)F)[S@@](=O)Cc1ccc(F)cc1Cl FC(F)(F)[*:1] C[C@H](C(=O)NC[*:1])[S@@](=O)Cc1ccc(F)cc1Cl
CN(C)C(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(Cl)nc2)c1 Clc1ccc(cn1)C[*:1] CN(C)C(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
CN(C)C(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(Cl)nc2)c1 Clc1ccc(cn1)[*:1] CN(C)C(=O)c1cccc(c1)S(=O)(=O)N(C)C[*:1]
CN(C)C(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(Cl)nc2)c1 CN(C)C(=O)[*:1] CN(Cc1ccc(Cl)nc1)S(=O)(=O)c1cccc(c1)[*:1]
CC(C)C[C@H](CNC(=O)NCC1(C)CCCC1)C(=O)[O-] CC(C)C[*:1] CC1(CCCC1)CNC(=O)NC[C@H](C(=O)[O-])[*:1]
CC(C)C[C@H](CNC(=O)NCC1(C)CCCC1)C(=O)[O-] CC(C)[*:1] CC1(CCCC1)CNC(=O)NC[C@@H](C[*:1])C(=O)[O-]
CC(C)C[C@H](CNC(=O)NCC1(C)CCCC1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)NCC1(C)CCCC1)[*:1]
CC(C)C[C@H](CNC(=O)NCC1(C)CCCC1)C(=O)[O-] CC1(CCCC1)[*:1] CC(C)C[C@H](CNC(=O)NC[*:1])C(=O)[O-]
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(cc1)[*:1]
C[C@H]1CCCC[C@H]1OCC(=O)OCc1nc(-c2cccnc2)no1 c1cncc(c1)[*:1] C[C@H]1CCCC[C@H]1OCC(=O)OCc1nc(no1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 CCOC(=O)[*:1] C[C@@H](NC(=O)N1CCC(C)(CC1)[*:1])c1ccc(C#N)cc1
CCOC(=O)C1(C)CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)N[C@H](C)[*:1]
C[NH2+][C@]1(C(N)=O)CC[C@H](Sc2ccc(Br)cn2)C1 NC(=O)[*:1] C[NH2+][C@@]1(CC[C@@H](C1)Sc1ccc(Br)cn1)[*:1]
CCCN(C(=O)c1ccccc1NC(=O)NCc1cnn(C)c1C)C(C)C CCC[*:1] Cc1c(cnn1C)CNC(=O)Nc1ccccc1C(=O)N(C(C)C)[*:1]
CCCN(C(=O)c1ccccc1NC(=O)NCc1cnn(C)c1C)C(C)C Cc1c(cnn1C)C[*:1] CCCN(C(=O)c1ccccc1NC(=O)N[*:1])C(C)C
CCCN(C(=O)c1ccccc1NC(=O)NCc1cnn(C)c1C)C(C)C CC(C)[*:1] CCCN(C(=O)c1ccccc1NC(=O)NCc1cnn(C)c1C)[*:1]
CCCN(C(=O)c1ccccc1NC(=O)NCc1cnn(C)c1C)C(C)C Cc1c(cnn1C)[*:1] CCCN(C(=O)c1ccccc1NC(=O)NC[*:1])C(C)C
CCCN(C(=O)c1ccccc1NC(=O)NCc1cnn(C)c1C)C(C)C CCCN(C(=O)[*:1])C(C)C Cc1c(cnn1C)CNC(=O)Nc1ccccc1[*:1]
CN(Cc1cnn(C)c1)C(=O)Nc1cc(F)ccc1F Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)Nc1cc(F)ccc1F
Cc1cnn(C[C@@H]2CCCCN2C(=O)CCc2ccsc2)c1 c1cc(cs1)C[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)C[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)CCc2ccsc2)c1 c1cc(cs1)CC[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)CCc2ccsc2)c1 Cc1cnn(c1)[*:1] O=C(CCc1ccsc1)N1CCCC[C@H]1C[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)CCc2ccsc2)c1 c1cc(cs1)[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)CC[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)CCc2ccsc2)c1 Cc1cnn(c1)C[*:1] O=C(CCc1ccsc1)N1CCCC[C@H]1[*:1]
Cc1ccc(CCNC(=O)CN(C)c2ncnc3[nH]cnc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN(CC(=O)NCC[*:1])c1ncnc2[nH]cnc12
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2n[nH]c([O-])n2)C1 Fc1cccc(c1)[*:1] C[C@@H]1C[C@H](N(C1)C(=O)c1n[nH]c([O-])n1)[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 c1cc2CCCc2cc1[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 COc1ccccc1[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccc2CCCc2c1
CC(C)CNC(=O)NC(=O)CSc1ncccn1 CC(C)[*:1] O=C(CSc1ncccn1)NC(=O)NC[*:1]
CC(C)CNC(=O)NC(=O)CSc1ncccn1 c1cnc(nc1)[*:1] CC(C)CNC(=O)NC(=O)CS[*:1]
CC(C)CNC(=O)NC(=O)CSc1ncccn1 CC(C)C[*:1] O=C(CSc1ncccn1)NC(=O)N[*:1]
COc1ccccc1NC(=O)c1cc2cnn(C(C)C)c2nc1C COc1ccccc1[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)N[*:1]
COc1ccccc1NC(=O)c1cc2cnn(C(C)C)c2nc1C CC(C)[*:1] COc1ccccc1NC(=O)c1cc2cnn(c2nc1C)[*:1]
Nc1cc(=O)[nH]c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 c1ccc(cc1)[*:1] Nc1cc(=O)[nH]c(n1)S[C@@H](C(=O)c1c[nH]c2ccccc12)[*:1]
Nc1cc(=O)[nH]c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 c1ccc2c(c[nH]c2c1)[*:1] Nc1cc(=O)[nH]c(n1)S[C@@H](C(=O)[*:1])c1ccccc1
CN(CCCl)C1=CC(=O)CC(C)(C)C1 ClCC[*:1] CN(C1=CC(=O)CC(C)(C)C1)[*:1]
O=C1CCC[C@H](SC[C@@H](O)CO)C1 OC[C@H](O)[*:1] O=C1CCC[C@@H](C1)SC[*:1]
O=C(Cn1c(=O)oc2ccccc21)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 O=c1oc2ccccc2n1[*:1] O=C(C[*:1])NCc1cn(Cc2ccccc2)nc1-c1ccccc1
O=C(Cn1c(=O)oc2ccccc21)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 c1ccc(cc1)C[*:1] O=C(Cn1c(=O)oc2ccccc21)NCc1cn(nc1-c1ccccc1)[*:1]
O=C(Cn1c(=O)oc2ccccc21)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 O=c1oc2ccccc2n1C[*:1] O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)[*:1]
O=C(Cn1c(=O)oc2ccccc21)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)oc2ccccc21)NCc1cn(C[*:1])nc1-c1ccccc1
O=C(Cn1c(=O)oc2ccccc21)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)oc2ccccc21)NCc1cn(Cc2ccccc2)nc1[*:1]
CCN(C)C(=O)c1cccc(OC(=O)/C=C/c2ccc(NC(C)=O)cc2)c1 CC(=O)N[*:1] CCN(C)C(=O)c1cccc(c1)OC(=O)/C=C/c1ccc(cc1)[*:1]
CCN(C)C(=O)c1cccc(OC(=O)/C=C/c2ccc(NC(C)=O)cc2)c1 CCN(C)C(=O)[*:1] CC(=O)Nc1ccc(/C=C/C(=O)Oc2cccc(c2)[*:1])cc1
Cc1cccc(OCC(=O)NNC(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1 Cc1cccc(c1)[*:1] C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NNC(=O)CO[*:1]
Cc1cccc(OCC(=O)NNC(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1 Cc1cccc(c1)O[*:1] C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NNC(=O)C[*:1]
Cc1cccc(OCC(=O)NNC(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1 C[C@@H](c1ccccc1)[*:1] Cc1cccc(c1)OCC(=O)NNC(=O)N[C@H](C)[*:1]
Cc1cccc(OCC(=O)NNC(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)NNC(=O)N[C@H](C)[C@@H](C)[*:1]
CCC[C@H](C#N)NC(=O)c1c(C)oc(C)c1Br CCC[*:1] Cc1oc(C)c(C(=O)N[C@@H](C#N)[*:1])c1Br
O=C(Cn1nc2n(c1=O)-c1ccccc1SC2)N/N=C/c1cccs1 c1csc(c1)[*:1] O=C(Cn1nc2CSc3ccccc3-n2c1=O)NN=C[*:1]
Cc1ccc2c(CC(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)coc2c1C C1CCC(C1)[*:1] Cc1ccc2c(coc2c1C)CC(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1ccc2c(CC(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)coc2c1C O=C(NC1CCCC1)[*:1] Cc1ccc2c(coc2c1C)CC(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N(C)C(=O)[C@H]1CCCN(C1)C(=O)C(C)(C)C
C[C@@H](Cc1ccsc1)N(C)C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 c1cc(cs1)C[*:1] C[C@@H](N(C)C(=O)[C@H]1CCCN(C1)C(=O)C(C)(C)C)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 CC(C)(C)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 C[C@@H](Cc1ccsc1)[*:1] CN(C(=O)[C@H]1CCCN(C1)C(=O)C(C)(C)C)[*:1]
CSCCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 CSCC[*:1] Cc1cccc(c1)-c1cccc(c1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CSCCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 CSC[*:1] Cc1cccc(c1)-c1cccc(c1)NC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
CSCCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 Cc1cccc(c1)[*:1] CSCCC(=O)N1CCC[C@@H](C1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 O=C(NC1CC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)[C@H]1CC(=O)N(C)C1)[*:1]
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 C1CC1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)[C@H]1CC(=O)N(C)C1
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 CN1C[C@H](CC1=O)[*:1] C[C@@H](C(=O)NC1CC1)N1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(C)(C)C)n2)cc1 CC(C)(C)N[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(C)(C)C)n2)cc1 CC(C)(C)[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)N[*:1]
CC(=O)Nc1ccc(-c2csc(NC(C)(C)C)n2)cc1 CC(=O)N[*:1] CC(C)(C)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)NCc1ncoc1C CC[C@H](C)C[*:1] Cc1ocnc1CNC(=O)N[C@H](C)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)NCc1ncoc1C Cc1ocnc1[*:1] CC[C@H](C)C[C@@H](C)NC(=O)NC[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)NCc1ncoc1C CC[C@H](C)[*:1] Cc1ocnc1CNC(=O)N[C@H](C)C[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)N1CCc2cc(F)ccc2C1 CCCS(=O)(=O)[*:1] O=C(c1ccccc1[*:1])N1CCc2cc(F)ccc2C1
CCCS(=O)(=O)c1ccccc1C(=O)N1CCc2cc(F)ccc2C1 CCC[*:1] O=C(c1ccccc1S(=O)(=O)[*:1])N1CCc2cc(F)ccc2C1
OC[C@H]1CN(Cc2ccc(-c3cccc(Cl)c3)o2)C[C@H]1C[NH+]1CCCC1 Clc1cccc(c1)[*:1] OC[C@H]1CN(Cc2ccc(o2)[*:1])C[C@H]1C[NH+]1CCCC1
C[C@@H](Cc1ccc(F)c(Br)c1)N[C@H](C)c1nccs1 c1csc(n1)[*:1] C[C@@H](Cc1ccc(F)c(Br)c1)N[C@H](C)[*:1]
Cc1csc([C@@H](C#N)C(=O)Cn2c(=O)[nH]c3ccccc32)n1 Cc1csc(n1)[*:1] N#C[C@@H](C(=O)Cn1c(=O)[nH]c2ccccc21)[*:1]
CCC(CC)N(CC(C)C)C(=O)c1ccc(Cl)c(N)c1 CCC(CC)[*:1] CC(C)CN(C(=O)c1ccc(Cl)c(N)c1)[*:1]
CCC(CC)N(CC(C)C)C(=O)c1ccc(Cl)c(N)c1 CC(C)[*:1] CCC(CC)N(C[*:1])C(=O)c1ccc(Cl)c(N)c1
CCC(CC)N(CC(C)C)C(=O)c1ccc(Cl)c(N)c1 CC(C)C[*:1] CCC(CC)N(C(=O)c1ccc(Cl)c(N)c1)[*:1]
C[NH2+][C@]1(C(=O)OC)CCC[C@H](Oc2ccc(F)cc2)C1 COC(=O)[*:1] C[NH2+][C@@]1(CCC[C@@H](C1)Oc1ccc(F)cc1)[*:1]
CCCOc1ccc(-c2nc(C#N)c(N3CCC(C(=O)[O-])CC3)o2)cc1 CCC[*:1] N#Cc1nc(oc1N1CCC(CC1)C(=O)[O-])-c1ccc(cc1)O[*:1]
CCCOc1ccc(-c2nc(C#N)c(N3CCC(C(=O)[O-])CC3)o2)cc1 CCCO[*:1] N#Cc1nc(oc1N1CCC(CC1)C(=O)[O-])-c1ccc(cc1)[*:1]
CCCOc1ccc(-c2nc(C#N)c(N3CCC(C(=O)[O-])CC3)o2)cc1 O=C([O-])[*:1] CCCOc1ccc(cc1)-c1nc(C#N)c(o1)N1CCC(CC1)[*:1]
O=C(COc1cccc(NC(=O)N2CCCCCC2)c1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(Nc1cccc(c1)O[*:1])N1CCCCCC1
O=C(COc1cccc(NC(=O)N2CCCCCC2)c1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(Nc1cccc(c1)OC[*:1])N1CCCCCC1
O=C(CCOc1ccccc1)Nc1cccc(Cl)c1-n1cncn1 c1ccc(cc1)[*:1] O=C(CCO[*:1])Nc1cccc(Cl)c1-n1cncn1
O=C(CCOc1ccccc1)Nc1cccc(Cl)c1-n1cncn1 c1ncn(n1)[*:1] O=C(CCOc1ccccc1)Nc1cccc(Cl)c1[*:1]
O=C(CCOc1ccccc1)Nc1cccc(Cl)c1-n1cncn1 c1ccc(cc1)OC[*:1] O=C(C[*:1])Nc1cccc(Cl)c1-n1cncn1
O=C(CCOc1ccccc1)Nc1cccc(Cl)c1-n1cncn1 c1ccc(cc1)O[*:1] O=C(CC[*:1])Nc1cccc(Cl)c1-n1cncn1
O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N[C@@H]1CC(=O)N(C2CC2)C1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CC(=O)N(C1)C1CC1)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1ccccc1)N[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(-n2cc(C(=O)c3cc(C)ccc3O)cc(C(C)=O)c2=O)cc1 COc1ccc(cc1)[*:1] CC(=O)c1cc(cn(c1=O)[*:1])C(=O)c1cc(C)ccc1O
COc1ccc(-n2cc(C(=O)c3cc(C)ccc3O)cc(C(C)=O)c2=O)cc1 Cc1ccc(O)c(c1)[*:1] COc1ccc(cc1)-n1cc(cc(C(C)=O)c1=O)C(=O)[*:1]
COc1ccc(-n2cc(C(=O)c3cc(C)ccc3O)cc(C(C)=O)c2=O)cc1 CC(=O)[*:1] COc1ccc(cc1)-n1cc(cc(c1=O)[*:1])C(=O)c1cc(C)ccc1O
C[C@@H]([NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CCC1 C1CC(C1)[*:1] C[C@@H]([NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1)[*:1]
C[C@@H]([NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CCC1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]C[C@H](C(=O)N1CCOCC1)[*:1])C1CCC1
CCc1nn(C)cc1CNC(=O)Nc1ccc(OC2CCOCC2)c(C)c1 C1CC(CCO1)[*:1] CCc1nn(C)cc1CNC(=O)Nc1ccc(O[*:1])c(C)c1
CCc1nn(C)cc1CNC(=O)Nc1ccc(OC2CCOCC2)c(C)c1 C1CC(CCO1)O[*:1] CCc1nn(C)cc1CNC(=O)Nc1ccc(c(C)c1)[*:1]
CCc1nn(C)cc1CNC(=O)Nc1ccc(OC2CCOCC2)c(C)c1 CCc1nn(C)cc1[*:1] Cc1cc(ccc1OC1CCOCC1)NC(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)Nc1ccc(OC2CCOCC2)c(C)c1 CCc1nn(C)cc1C[*:1] Cc1cc(ccc1OC1CCOCC1)NC(=O)N[*:1]
CC(C)C[C@@H](C/[NH+]=C/c1cc(Cl)ccc1O)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@@H](C/[NH+]=C/c1cc(Cl)ccc1O)[*:1]
CC(C)C[C@@H](C/[NH+]=C/c1cc(Cl)ccc1O)N1CCOCC1 CC(C)C[*:1] Oc1ccc(Cl)cc1/C=[NH+]/C[C@@H](N1CCOCC1)[*:1]
CC(C)C[C@@H](C/[NH+]=C/c1cc(Cl)ccc1O)N1CCOCC1 CC(C)[*:1] Oc1ccc(Cl)cc1/C=[NH+]/C[C@H](C[*:1])N1CCOCC1
Cc1cccc(CNc2ccc(C(=O)NC(C)C)cc2)c1 Cc1cccc(c1)[*:1] CC(C)NC(=O)c1ccc(cc1)NC[*:1]
Cc1cccc(CNc2ccc(C(=O)NC(C)C)cc2)c1 CC(C)NC(=O)[*:1] Cc1cccc(c1)CNc1ccc(cc1)[*:1]
Cc1cccc(CNc2ccc(C(=O)NC(C)C)cc2)c1 CC(C)[*:1] Cc1cccc(c1)CNc1ccc(cc1)C(=O)N[*:1]
COc1ccc(-n2nc(C(=O)N3CCC([C@@H](C)O)CC3)cc2C)cc1 C[C@@H](O)[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)N1CCC(CC1)[*:1]
COc1ccc(-n2nc(C(=O)N3CCC([C@@H](C)O)CC3)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)N1CCC(CC1)[C@@H](C)O
CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCN(CC)C(=O)Cc1ccc(cc1)NC(=O)c1ccccc1[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 CCN(CC)C(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccccc1[N+](=O)[O-]
CCN(CC)C(=O)Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 CCN(CC)C(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1[N+](=O)[O-]
CCCOc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)ncn1 CCC[*:1] C[C@@H]1CN(CC[C@H]1[NH3+])c1cc(ncn1)O[*:1]
CCCOc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)ncn1 CCCO[*:1] C[C@@H]1CN(CC[C@H]1[NH3+])c1cc(ncn1)[*:1]
CCN(Cc1cccc(C)n1)C(=O)CC[C@H]1CCC[NH2+]C1 Cc1cccc(n1)[*:1] CCN(C[*:1])C(=O)CC[C@H]1CCC[NH2+]C1
CCC[NH2+]CC/C=C(/C)Cc1ccncc1Cl CCC[*:1] C/C(=C/CC[NH2+][*:1])Cc1ccncc1Cl
CCN(Cc1ccccn1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 c1ccc(C[*:1])nc1 CCN(C(=O)c1n[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
CCN(Cc1ccccn1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1n[nH]c2ccc(cc12)[N+](=O)[O-]
CCN(Cc1ccccn1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] CCN(Cc1ccccn1)C(=O)c1n[nH]c2ccc(cc12)[*:1]
Cc1cccc(CSC2=NCCN2C(=O)COc2ccc(Cl)cc2Cl)c1 Cc1cccc(c1)C[*:1] O=C(COc1ccc(Cl)cc1Cl)N1CCN=C1S[*:1]
Cc1cccc(CSC2=NCCN2C(=O)COc2ccc(Cl)cc2Cl)c1 Clc1ccc(c(Cl)c1)[*:1] Cc1cccc(c1)CSC1=NCCN1C(=O)CO[*:1]
Cc1cccc(CSC2=NCCN2C(=O)COc2ccc(Cl)cc2Cl)c1 Cc1cccc(c1)[*:1] O=C(COc1ccc(Cl)cc1Cl)N1CCN=C1SC[*:1]
C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccccc1Br Brc1ccccc1[*:1] C[C@@H](NC(=O)c1ccc2OCOc2c1)[*:1]
O=[N+]([O-])c1ccc2nc(NC[C@H]3CCC[C@@H]3O)oc2c1 O=[N+]([O-])[*:1] O[C@H]1CCC[C@@H]1CNc1nc2ccc(cc2o1)[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)N1CCNC(=O)[C@H]1C(C)C c1ccc(cc1)[*:1] Cc1nc(C[*:1])sc1C(=O)N1CCNC(=O)[C@H]1C(C)C
Cc1nc(Cc2ccccc2)sc1C(=O)N1CCNC(=O)[C@H]1C(C)C c1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)N1CCNC(=O)[C@H]1C(C)C)[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)N1CCNC(=O)[C@H]1C(C)C CC(C)[*:1] Cc1nc(Cc2ccccc2)sc1C(=O)N1CCNC(=O)[C@@H]1[*:1]
CCCCOc1ccc(CN2CCOC[C@@H]2C#N)cc1 CCCC[*:1] N#C[C@H]1COCCN1Cc1ccc(cc1)O[*:1]
CCCCOc1ccc(CN2CCOC[C@@H]2C#N)cc1 CCC[*:1] N#C[C@H]1COCCN1Cc1ccc(cc1)OC[*:1]
CCCCOc1ccc(CN2CCOC[C@@H]2C#N)cc1 CCCCO[*:1] N#C[C@H]1COCCN1Cc1ccc(cc1)[*:1]
Cc1n[nH]c2c1[C@@H](c1cccs1)C1=C(COC1=O)N2 c1csc(c1)[*:1] Cc1n[nH]c2NC3COC(=O)C=3[C@H](c12)[*:1]
Cc1ccc(-c2nc(CNC(=O)Nc3nc(C)c(C)o3)co2)cc1 Cc1nc(oc1C)[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)N[*:1]
Cc1ccc(-c2nc(CNC(=O)Nc3nc(C)c(C)o3)co2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(NC(=O)NCc2coc(n2)[*:1])oc1C
C[C@H](C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccsc1 c1cn2cc(nc2s1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])c1ccsc1
C[C@H](C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)-c1cn2ccsc2n1)[*:1]
Cc1sc2nc(/C(C#N)=C/c3ccc(Br)s3)[nH]c(=O)c2c1C Brc1ccc(s1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)C(C#N)=C[*:1]
COc1ccc([C@@H](C)NC[C@](C)(O)c2ccc(C)o2)cc1F Cc1ccc(o1)[*:1] COc1ccc(cc1F)[C@@H](C)NC[C@](C)(O)[*:1]
Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)s1 Cc1ccc(s1)[*:1] Cc1ccc(cc1F)[C@@H](C)[NH2+][C@H](C)C[*:1]
COc1cccc(-c2cc(C3(C(=O)N4[C@@H](C)CCC[C@@H]4C)CC3)no2)c1 COc1cccc(c1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)C1(CC1)c1cc(on1)[*:1]
CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(F)cc3F)nc(N)c12 Fc1ccc(c(F)c1)[*:1] CCOC(=O)c1c(C)oc2nc(COC(=O)[*:1])nc(N)c12
CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(F)cc3F)nc(N)c12 CCOC(=O)[*:1] Cc1oc2nc(COC(=O)c3ccc(F)cc3F)nc(N)c2c1[*:1]
Cc1cnn(-c2ccc([C@@H](C)Nc3ncccc3[N+](=O)[O-])cc2F)c1 O=[N+]([O-])[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@@H](C)Nc1ncccc1[*:1]
Cc1cnn(-c2ccc([C@@H](C)Nc3ncccc3[N+](=O)[O-])cc2F)c1 Cc1cnn(c1)[*:1] C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(c(F)c1)[*:1]
CN(C[C@H](O)C1CC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)CN(C)c1ccccc1[N+](=O)[O-]
CN(C[C@H](O)C1CC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C[C@H](O)C1CC1)C(=O)CN(C)c1ccccc1[*:1]
Cc1ccnc2c1nc(N)n2C(C)(C)C CC(C)(C)[*:1] Cc1ccnc2c1nc(N)n2[*:1]
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 Clc1ccc(cc1)[*:1] Cc1ccc2c(NC(=O)[C@]23[C@H]2C(=O)N(C(=O)[C@@H]2[C@H]2CCCN23)[*:1])c1C
CCCn1nnnc1CSc1ccccc1OC CCC[*:1] COc1ccccc1SCc1nnnn1[*:1]
CCCn1cc[nH+]c1CCc1cc[nH+]c(N)c1 CCC[*:1] Nc1cc(cc[nH+]1)CCc1[nH+]ccn1[*:1]
O=C(Cn1cccn1)Nc1nnc(Cc2ccc(Cl)cc2)s1 c1cnn(c1)[*:1] O=C(C[*:1])Nc1nnc(Cc2ccc(Cl)cc2)s1
O=C(Cn1cccn1)Nc1nnc(Cc2ccc(Cl)cc2)s1 c1cnn(c1)C[*:1] O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)[*:1]
O=C(Cn1cccn1)Nc1nnc(Cc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] O=C(Cn1cccn1)Nc1nnc(C[*:1])s1
CCCNc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cn1 CCCN[*:1] Cc1nc(ccc1Br)NC(=O)c1ccc(nc1)[*:1]
CCCNc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cn1 CCC[*:1] Cc1nc(ccc1Br)NC(=O)c1ccc(nc1)N[*:1]
Cc1ccc(CSCCNC(=O)[C@@H]2Cc3ccccc3S2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCSC[*:1])[C@@H]1Cc2ccccc2S1
COc1cc(C(=O)Nc2cccc(C)c2)sc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1cc(sc1[*:1])C(=O)Nc1cccc(C)c1
COc1cc(C(=O)Nc2cccc(C)c2)sc1S(N)(=O)=O Cc1cccc(c1)[*:1] COc1cc(sc1S(N)(=O)=O)C(=O)N[*:1]
O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)Nc1ccccc1C(F)(F)F Fc1cccc(Cl)c1C[*:1] O=C(Nc1cnn(c1)[*:1])Nc1ccccc1C(F)(F)F
O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1cnn(c1)Cc1c(F)cccc1Cl)Nc1ccccc1[*:1]
O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)Nc1ccccc1C(F)(F)F Fc1cccc(Cl)c1[*:1] O=C(Nc1cnn(c1)C[*:1])Nc1ccccc1C(F)(F)F
O=C(CSc1nnnn1C1CC1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CSc1nnnn1C1CC1)N1CCC(CC1)[*:1]
O=C(CSc1nnnn1C1CC1)N1CCC(Cc2ccccc2)CC1 C1CC1n1nnnc1[*:1] O=C(CS[*:1])N1CCC(CC1)Cc1ccccc1
O=C(CSc1nnnn1C1CC1)N1CCC(Cc2ccccc2)CC1 C1CC1[*:1] O=C(CSc1nnnn1[*:1])N1CCC(CC1)Cc1ccccc1
O=C(CSc1nnnn1C1CC1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nnnn1C1CC1)N1CCC(CC1)C[*:1]
Cc1cccc(C[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)C[C@H](CC(=O)[O-])NC(=O)O[*:1]
Cc1cccc(C[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1 Cc1cccc(c1)[*:1] CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C[*:1]
Cc1cccc(C[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1 O=C([O-])[*:1] Cc1cccc(c1)C[C@H](C[*:1])NC(=O)OC(C)(C)C
Cc1cccc(C[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1 O=C([O-])C[*:1] Cc1cccc(c1)C[C@H](NC(=O)OC(C)(C)C)[*:1]
Cn1cnc(C[NH2+]Cc2csc(C(C)(C)C)n2)n1 CC(C)(C)[*:1] Cn1cnc(C[NH2+]Cc2csc(n2)[*:1])n1
Cn1cnc(C[NH2+]Cc2csc(C(C)(C)C)n2)n1 Cn1cnc(n1)[*:1] CC(C)(C)c1nc(cs1)C[NH2+]C[*:1]
Cc1ccn(-c2ccc(NCCc3cccc(O)c3)nn2)n1 Oc1cccc(c1)[*:1] Cc1ccn(n1)-c1ccc(nn1)NCC[*:1]
Cc1ccn(-c2ccc(NCCc3cccc(O)c3)nn2)n1 Cc1ccn(n1)[*:1] Oc1cccc(c1)CCNc1ccc(nn1)[*:1]
CC(=O)NCCCCCC(=O)N[C@@H]1CCC[C@@H](C)C1 CC(=O)N[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)CCCCC[*:1]
CC(=O)NCCCCCC(=O)N[C@@H]1CCC[C@@H](C)C1 CC(=O)NCC[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)CCC[*:1]
CC(=O)NCCCCCC(=O)N[C@@H]1CCC[C@@H](C)C1 CC(=O)NC[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)CCCC[*:1]
CC[C@H]([NH2+][C@@H](C)Cc1ccccc1C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@H]([NH2+][C@@H](C)Cc1ccccc1C)[*:1]
Cc1cccn2cc(CC(=O)N[C@@H]3CCN(c4ccccc4)C3=O)nc12 c1ccc(cc1)[*:1] Cc1cccn2cc(CC(=O)N[C@@H]3CCN(C3=O)[*:1])nc12
Cc1ccc(C)n1-c1c(C(=O)N2CCOCC2)sc2ncccc12 O=C(N1CCOCC1)[*:1] Cc1ccc(C)n1-c1c(sc2ncccc12)[*:1]
Cc1ccc(C)n1-c1c(C(=O)N2CCOCC2)sc2ncccc12 Cc1ccc(C)n1[*:1] O=C(c1sc2ncccc2c1[*:1])N1CCOCC1
Cc1csc([C@H](C#N)C(=O)C2(Cc3cccc(Cl)c3)CCCC2)n1 Clc1cccc(c1)C[*:1] Cc1csc(n1)[C@H](C#N)C(=O)C1(CCCC1)[*:1]
Cc1csc([C@H](C#N)C(=O)C2(Cc3cccc(Cl)c3)CCCC2)n1 Clc1cccc(c1)[*:1] Cc1csc(n1)[C@H](C#N)C(=O)C1(CCCC1)C[*:1]
Cc1csc([C@H](C#N)C(=O)C2(Cc3cccc(Cl)c3)CCCC2)n1 Cc1csc(n1)[*:1] N#C[C@H](C(=O)C1(CCCC1)Cc1cccc(Cl)c1)[*:1]
O=C(NCCCc1ccc(F)cc1)c1[nH]nc2c1CCCCC2 Fc1ccc(cc1)[*:1] O=C(NCCC[*:1])c1[nH]nc2CCCCCc21
Cc1ccsc1[C@H](C)NC[C@](C)(O)c1ccc(F)cc1 Cc1ccsc1[*:1] C[C@H](NC[C@](C)(O)c1ccc(F)cc1)[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(F)c2C)c1 Cc1cccc(c1)[*:1] Cc1c(F)cccc1NC(=O)[C@H](C)O[*:1]
Cc1noc(CS(=O)(=O)c2cc(F)ccc2F)n1 Cc1noc(n1)[*:1] O=S(=O)(C[*:1])c1cc(F)ccc1F
O=C(Cc1ccc[nH]1)NCc1cccc2cccnc12 c1c[nH]c(c1)[*:1] O=C(C[*:1])NCc1cccc2cccnc12
O=C(Cc1ccc[nH]1)NCc1cccc2cccnc12 c1c[nH]c(c1)C[*:1] O=C(NCc1cccc2cccnc12)[*:1]
C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)NC2CCCC2)C1=O O=C(NC1CCCC1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc2OCCCOc2c1
C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)NC2CCCC2)C1=O O=C(C[*:1])NC1CCCC1 C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc2OCCCOc2c1
C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)NC2CCCC2)C1=O C1CCC(C1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2OCCCOc2c1
CC(=O)Nc1ccc(F)c(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 CC(=O)N[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C[C@@H](C)NC(=O)Nc1cc(ccc1F)[*:1]
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ncccn1 c1coc(c1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1C[*:1])C(=O)Nc1ncccn1
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ncccn1 C1CC1[*:1] C[C@@H](Sc1nnc(n1Cc1ccco1)[*:1])C(=O)Nc1ncccn1
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ncccn1 c1coc(c1)C[*:1] C[C@@H](Sc1nnc(C2CC2)n1[*:1])C(=O)Nc1ncccn1
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ncccn1 c1cnc(nc1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)N[*:1]
C[C@@H](C(=O)N1CCC(OCc2ccc(F)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C Fc1ccc(cc1)C[*:1] C[C@@H](C(=O)N1CCC(CC1)O[*:1])[NH+]1[C@H](C)CC[C@H]1C
C[C@@H](C(=O)N1CCC(OCc2ccc(F)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C Fc1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCC(CC1)OC[*:1])[NH+]1[C@H](C)CC[C@H]1C
Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(C)c4c(C)n(-c5ccc(Cl)cc5)nc34)C2)o1 Cc1ccc(CNC(=O)[*:1])o1 Cc1nnc(c2nn(-c3ccc(Cl)cc3)c(C)c12)N1CCC[C@H](C1)[*:1]
Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(C)c4c(C)n(-c5ccc(Cl)cc5)nc34)C2)o1 Cc1ccc(C[*:1])o1 Cc1nnc(c2nn(-c3ccc(Cl)cc3)c(C)c12)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(C)c4c(C)n(-c5ccc(Cl)cc5)nc34)C2)o1 Clc1ccc(cc1)[*:1] Cc1ccc(CNC(=O)[C@@H]2CCCN(C2)c2nnc(C)c3c(C)n(nc23)[*:1])o1
Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(C)c4c(C)n(-c5ccc(Cl)cc5)nc34)C2)o1 Cc1ccc(o1)[*:1] Cc1nnc(c2nn(-c3ccc(Cl)cc3)c(C)c12)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(c1)[*:1]
O=C(Nc1cccc(N2CCOC2=O)c1)c1sc2sccc2c1Cl O=C1OCCN1[*:1] O=C(Nc1cccc(c1)[*:1])c1sc2sccc2c1Cl
CC(=O)Nc1ccnn1CC1=CCCN(Cc2c[nH]c[nH+]2)C1 CC(=O)N[*:1] C1CCN(CC=1Cn1nccc1[*:1])Cc1c[nH]c[nH+]1
CC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)CC)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)CC)[*:1]
CC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)CC)C(=O)N1CCOCC1 CCN(C)[*:1] CC[C@@H](NC(=O)[C@H](c1ccccc1)[*:1])C(=O)N1CCOCC1
CC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)CC)C(=O)N1CCOCC1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)[C@H](N(C)CC)[*:1])C(=O)N1CCOCC1
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H]1C[C@@H]1C c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H]1C[C@@H]1C)NC(=O)N[*:1]
Cn1c(=O)oc2cc(NC(=O)NCCOc3ccccc3)ccc21 c1ccc(cc1)OC[*:1] Cn1c(=O)oc2cc(ccc21)NC(=O)NC[*:1]
Cn1c(=O)oc2cc(NC(=O)NCCOc3ccccc3)ccc21 c1ccc(cc1)O[*:1] Cn1c(=O)oc2cc(ccc21)NC(=O)NCC[*:1]
Cn1c(=O)oc2cc(NC(=O)NCCOc3ccccc3)ccc21 c1ccc(cc1)[*:1] Cn1c(=O)oc2cc(ccc21)NC(=O)NCCO[*:1]
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NCCn1cc(Cl)cn1 Clc1cnn(c1)C[*:1] O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NC[*:1]
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NCCn1cc(Cl)cn1 O=C([O-])[*:1] O=C(NCCn1cc(Cl)cn1)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1[*:1]
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NCCn1cc(Cl)cn1 Clc1cnn(c1)[*:1] O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)NCC[*:1]
Cn1cc(C(=O)Nc2cccc(Cn3cnnc3)c2)c(C(C)(C)C)n1 c1nncn1C[*:1] Cn1cc(C(=O)Nc2cccc(c2)[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2cccc(Cn3cnnc3)c2)c(C(C)(C)C)n1 c1nncn1[*:1] Cn1cc(C(=O)Nc2cccc(c2)C[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2cccc(Cn3cnnc3)c2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2cccc(c2)Cn2cnnc2)c(n1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)OC[C@H]3CCCO3)CCC2=O)cc1C C1CO[C@H](C1)C[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)O[*:1]
Cc1ccc(N2C[C@@H](C(=O)OC[C@H]3CCCO3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(OC[C@H]1CCCO1)[C@H]1CCC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)OC[C@H]3CCCO3)CCC2=O)cc1C C1CO[C@H](C1)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)OC[*:1]
CCCCC[C@H](C)[NH2+][C@H]1CCCc2ccc(OC)cc21 CCCCC[*:1] COc1ccc2CCC[C@H]([NH2+][C@@H](C)[*:1])c2c1
CCCCC[C@H](C)[NH2+][C@H]1CCCc2ccc(OC)cc21 CCCC[*:1] COc1ccc2CCC[C@H]([NH2+][C@@H](C)C[*:1])c2c1
CCCCC[C@H](C)[NH2+][C@H]1CCCc2ccc(OC)cc21 CCC[*:1] COc1ccc2CCC[C@H]([NH2+][C@@H](C)CC[*:1])c2c1
Cc1nn(-c2ccccc2)c(OC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1 c1csc(c1)[*:1] Cc1nn(-c2ccccc2)c(OC(=O)[*:1])c1S(=O)(=O)c1ccccc1
Cc1nn(-c2ccccc2)c(OC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(OC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c(OC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1 O=S(=O)(c1ccccc1)[*:1] Cc1nn(-c2ccccc2)c(OC(=O)c2cccs2)c1[*:1]
Cc1nn(-c2ccccc2)c(OC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(OC(=O)c2cccs2)c1S(=O)(=O)[*:1]
Cc1nn(-c2ccccc2)c(OC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1 O=C(O[*:1])c1cccs1 Cc1nn(-c2ccccc2)c(c1S(=O)(=O)c1ccccc1)[*:1]
CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)[*:1]
CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1 CC(C)(C)[*:1] O=C(N[*:1])[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1
CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1 CC(C)(C)NC(=O)[*:1] O=S(=O)(c1cccc(F)c1)N1CSC[C@H]1[*:1]
CC(=O)/[NH+]=c1/ccc2c(CSC3=NC(=O)C4=C(c5cccs5)CSC4=N3)cc(O)oc-2c1 c1csc(c1)[*:1] CC(=O)/[NH+]=c1/ccc2-c(c1)oc(O)cc2CSC1=NC(=O)C2C(=N1)SCC=2[*:1]
COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(Cc2ncoc2C(C)C)C1=O CC(C)[*:1] COc1ccc2CC[C@@]3(NC(=O)N(Cc4ncoc4[*:1])C3=O)c2c1
COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(Cc2ncoc2C(C)C)C1=O CC(C)c1ocnc1[*:1] COc1ccc2CC[C@@]3(NC(=O)N(C[*:1])C3=O)c2c1
COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-c3ncc[nH]3)c1)C2 COCC[*:1] O=C(c1cccc(c1)-c1ncc[nH]1)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-c3ncc[nH]3)c1)C2 c1c[nH]c(n1)[*:1] COCCN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)c1cccc(c1)[*:1]
COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-c3ncc[nH]3)c1)C2 COC[*:1] O=C(c1cccc(c1)-c1ncc[nH]1)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
Cc1cc(C)cc(OCC(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1cccc(c1)C(=O)N[C@@H](C)[*:1]
Cc1cc(C)cc(OCC(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)c1 C[C@@H](c1ccccc1)[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1cc(C)cc(OCC(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)CO[*:1])c1ccccc1
Cc1cc(C)cc(OCC(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)c1 Cc1cc(C)cc(c1)OC[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)[*:1])c1ccccc1
Cc1cc(C)cc(OCC(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)c1 Cc1cc(C)cc(c1)O[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)C[*:1])c1ccccc1
O=C(C[n+]1cn(C(F)F)c2ccccc21)c1ccc(-c2ccccc2)cc1 FC(F)[*:1] O=C(C[n+]1cn(c2ccccc21)[*:1])c1ccc(cc1)-c1ccccc1
O=C(C[n+]1cn(C(F)F)c2ccccc21)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(C[n+]1cn(c2ccccc21)C(F)F)c1ccc(cc1)[*:1]
Cc1noc(C)c1CCC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1noc(C)c1CCC(=O)N(Cc1cccs1)[*:1]
Cc1noc(C)c1CCC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1noc(C)c1CCC(=O)N(Cc1cccs1)C[*:1]
Cc1noc(C)c1CCC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)[*:1] Cc1noc(C)c1CCC(=O)N(C[C@@H]1CCCO1)C[*:1]
Cc1noc(C)c1CCC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)C[*:1] Cc1noc(C)c1CCC(=O)N(C[C@@H]1CCCO1)[*:1]
Cc1noc(C)c1CCC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 Cc1noc(C)c1[*:1] O=C(CC[*:1])N(Cc1cccs1)C[C@@H]1CCCO1
Cc1noc(C)c1CCC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 Cc1noc(C)c1C[*:1] O=C(C[*:1])N(Cc1cccs1)C[C@@H]1CCCO1
Cc1nc(-c2ccccc2)sc1C(=O)NCCC1=c2ccccc2=[NH+]C1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NCCC1C[NH+]=c2ccccc2=1)[*:1]
Cc1cc(C(=O)N2CCN(CC3=Cc4ccccc4OC3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(N1CCN(CC1)CC1=Cc2ccccc2OC1)[*:1]
CC(=O)Nc1ccc(F)c(C(=O)Oc2ccccc2C)c1 Cc1ccccc1[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)O[*:1]
CC(=O)Nc1ccc(F)c(C(=O)Oc2ccccc2C)c1 CC(=O)N[*:1] Cc1ccccc1OC(=O)c1cc(ccc1F)[*:1]
COc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1Cl N#CC[*:1] COc1ccc(cc1Cl)NC(=O)N(C)[C@@H](C)[*:1]
CN(C)C(=O)N1CCC(C(=O)OCCc2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)OCC[*:1]
CN(C)C(=O)N1CCC(C(=O)OCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)OC[*:1]
CCC(CC)NC(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)C[*:1] CCC(CC)NC(=O)NCc1cccc(c1)[*:1]
CCC(CC)NC(=O)NCc1cccc(Cn2ccnc2)c1 CCC(CC)[*:1] O=C(NCc1cccc(c1)Cn1ccnc1)N[*:1]
CCC(CC)NC(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)[*:1] CCC(CC)NC(=O)NCc1cccc(c1)C[*:1]
Cc1cscc1C(=O)OC1(C2CC2)CC1 C1CC1[*:1] Cc1cscc1C(=O)OC1(CC1)[*:1]
Cc1nc(C2(NC(=O)CCCc3nc4ccccc4s3)CCCC2)no1 Cc1nc(no1)[*:1] O=C(CCCc1nc2ccccc2s1)NC1(CCCC1)[*:1]
Cc1c2cnn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccccc1F Fc1ccccc1[*:1] Cc1c2cnn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c2c(C)n1C[*:1]
Cc1c2cnn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccccc1F C[C@@H](C[*:1])c1ccccc1 Cc1c2cnn(CC(=O)N[*:1])c(=O)c2c(C)n1Cc1ccccc1F
Cc1c2cnn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccccc1F c1ccc(cc1)[*:1] Cc1c2cnn(CC(=O)NC[C@H](C)[*:1])c(=O)c2c(C)n1Cc1ccccc1F
Cc1c2cnn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccccc1F Fc1ccccc1C[*:1] Cc1c2cnn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c2c(C)n1[*:1]
Cc1c2cnn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c2c(C)n1Cc1ccccc1F C[C@H](c1ccccc1)[*:1] Cc1c2cnn(CC(=O)NC[*:1])c(=O)c2c(C)n1Cc1ccccc1F
Cc1ccc2cc(C(=O)N3CCC[NH+](Cc4noc(C5CC5)n4)CC3)[nH]c2c1 C1CC1c1nc(no1)[*:1] Cc1ccc2cc([nH]c2c1)C(=O)N1CCC[NH+](CC1)C[*:1]
Cc1ccc2cc(C(=O)N3CCC[NH+](Cc4noc(C5CC5)n4)CC3)[nH]c2c1 C1CC1[*:1] Cc1ccc2cc([nH]c2c1)C(=O)N1CCC[NH+](CC1)Cc1noc(n1)[*:1]
CCN1C[C@@H](C(=O)N[C@H](C)CCCC(C)C)CC1=O CC(C)[*:1] CCN1C[C@H](CC1=O)C(=O)N[C@H](C)CCC[*:1]
CCN1C[C@@H](C(=O)N[C@H](C)CCCC(C)C)CC1=O CC(C)CC[*:1] CCN1C[C@H](CC1=O)C(=O)N[C@H](C)C[*:1]
CCN1C[C@@H](C(=O)N[C@H](C)CCCC(C)C)CC1=O CC(C)CCC[*:1] CCN1C[C@H](CC1=O)C(=O)N[C@H](C)[*:1]
CCN1C[C@@H](C(=O)N[C@H](C)CCCC(C)C)CC1=O CC(C)C[*:1] CCN1C[C@H](CC1=O)C(=O)N[C@H](C)CC[*:1]
CCOC(=O)[C@H]1CCCN(c2ncnc(Nc3cccc4ccc(C)nc34)c2[N+](=O)[O-])C1 CCOC(=O)[*:1] Cc1ccc2cccc(Nc3ncnc(c3[N+](=O)[O-])N3CCC[C@@H](C3)[*:1])c2n1
CCOC(=O)[C@H]1CCCN(c2ncnc(Nc3cccc4ccc(C)nc34)c2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CCOC(=O)[C@H]1CCCN(C1)c1ncnc(Nc2cccc3ccc(C)nc23)c1[*:1]
O=C(NCCCn1cccn1)c1ccccc1-c1ccc(C(F)(F)F)cc1 c1cnn(c1)CCC[*:1] O=C(N[*:1])c1ccccc1-c1ccc(cc1)C(F)(F)F
O=C(NCCCn1cccn1)c1ccccc1-c1ccc(C(F)(F)F)cc1 c1cnn(c1)[*:1] O=C(NCCC[*:1])c1ccccc1-c1ccc(cc1)C(F)(F)F
O=C(NCCCn1cccn1)c1ccccc1-c1ccc(C(F)(F)F)cc1 c1cnn(c1)CC[*:1] O=C(NC[*:1])c1ccccc1-c1ccc(cc1)C(F)(F)F
O=C(NCCCn1cccn1)c1ccccc1-c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCCCn1cccn1)c1ccccc1-c1ccc(cc1)[*:1]
O=C(NCCCn1cccn1)c1ccccc1-c1ccc(C(F)(F)F)cc1 c1cnn(c1)C[*:1] O=C(NCC[*:1])c1ccccc1-c1ccc(cc1)C(F)(F)F
O=C(CN1CCOCC1)NN1CC(=O)N(c2ccc(Cl)cc2)CC1=O Clc1ccc(cc1)[*:1] O=C(CN1CCOCC1)NN1CC(=O)N(CC1=O)[*:1]
O=C(CN1CCOCC1)NN1CC(=O)N(c2ccc(Cl)cc2)CC1=O C1CN(CCO1)C[*:1] O=C1CN(C(=O)CN1NC(=O)[*:1])c1ccc(Cl)cc1
O=C(CN1CCOCC1)NN1CC(=O)N(c2ccc(Cl)cc2)CC1=O C1CN(CCO1)[*:1] O=C(C[*:1])NN1CC(=O)N(CC1=O)c1ccc(Cl)cc1
C[C@@H](NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cnc(s1)[*:1])[C@@H]1CCCO1
C[C@@H](NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
C#CCN(C(=O)[C@@H]1SCCc2sccc21)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)[C@@H]1SCCc2sccc21)[*:1]
C#CCN(C(=O)[C@@H]1SCCc2sccc21)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C([C@@H]1SCCc2sccc21)N([C@H]1CCS(=O)(=O)C1)[*:1]
Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)nnc1-c1ccc(Cl)cc1 FC(F)(F)[*:1] Nn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)Nc1cc(ccc1-n1cncn1)[*:1]
Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1cc(ccc1-n1cncn1)C(F)(F)F
Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)nnc1-c1ccc(Cl)cc1 c1ncn(n1)[*:1] Nn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)Nc1cc(ccc1[*:1])C(F)(F)F
Cc1cc(C(=O)Nc2ccccc2C#N)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)Nc1ccccc1C#N
CCc1ccc(NC(=O)[C@@H](C)SCc2noc(CC)n2)cc1 CCc1nc(no1)[*:1] CCc1ccc(cc1)NC(=O)[C@@H](C)SC[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)Nc2c[nH]nc2-c2ccccn2)C1 c1ccc(nc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Nc1c[nH]nc1[*:1]
CCN(CCC(F)(F)F)Cc1cnc(C)n1-c1ccccc1 FC(F)(F)CC[*:1] CCN(Cc1cnc(C)n1-c1ccccc1)[*:1]
CCN(CCC(F)(F)F)Cc1cnc(C)n1-c1ccccc1 c1ccc(cc1)[*:1] CCN(CCC(F)(F)F)Cc1cnc(C)n1[*:1]
CCN(CCC(F)(F)F)Cc1cnc(C)n1-c1ccccc1 FC(F)(F)[*:1] CCN(CC[*:1])Cc1cnc(C)n1-c1ccccc1
CCN(CCC(F)(F)F)Cc1cnc(C)n1-c1ccccc1 FC(F)(F)C[*:1] CCN(Cc1cnc(C)n1-c1ccccc1)C[*:1]
CC(C)OCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1 CC(C)OC[*:1] NC(=O)CN(Cc1ccc(Br)cc1)C(=O)[*:1]
CC(C)OCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1 CC(C)[*:1] NC(=O)CN(Cc1ccc(Br)cc1)C(=O)CO[*:1]
CC(C)OCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1 NC(=O)[*:1] CC(C)OCC(=O)N(Cc1ccc(Br)cc1)C[*:1]
CC(C)OCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1 CC(C)O[*:1] NC(=O)CN(Cc1ccc(Br)cc1)C(=O)C[*:1]
CC(C)OCC(=O)N(CC(N)=O)Cc1ccc(Br)cc1 NC(=O)C[*:1] CC(C)OCC(=O)N(Cc1ccc(Br)cc1)[*:1]
CC(C)(C)NC(=O)CSCc1noc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)(C)NC(=O)CSCc1noc(n1)[*:1]
CC(C)(C)NC(=O)CSCc1noc(-c2ccc(F)cc2)n1 CC(C)(C)[*:1] O=C(CSCc1noc(n1)-c1ccc(F)cc1)N[*:1]
CC(C)(C)NC(=O)CSCc1noc(-c2ccc(F)cc2)n1 CC(C)(C)NC(=O)[*:1] Fc1ccc(cc1)-c1nc(CSC[*:1])no1
[NH3+][C@@H](CNC(=O)NC1CCCC1)C1CC1 C1CCC(C1)[*:1] [NH3+][C@@H](CNC(=O)N[*:1])C1CC1
[NH3+][C@@H](CNC(=O)NC1CCCC1)C1CC1 C1CC1[*:1] [NH3+][C@@H](CNC(=O)NC1CCCC1)[*:1]
CCc1ccccc1[C@H]1OCCC[C@@H]1C[NH2+]C1CC1 C1CC1[*:1] CCc1ccccc1[C@H]1OCCC[C@@H]1C[NH2+][*:1]
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@@H](CO)C1 C1CCN(CC1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])N1CCC[C@@H](CO)C1
Cc1cc(C)n(C[C@H](C)NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)n1 Cc1cc(C)n(C[*:1])n1 C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H](C)[*:1])C1=O
Cc1cc(C)n(C[C@H](C)NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C[*:1])NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21
CCCC[C@H](CC)CNC(=O)N1CCC[C@H](OC)C1 CCCC[*:1] CC[C@H](CNC(=O)N1CCC[C@@H](C1)OC)[*:1]
CCCC[C@H](CC)CNC(=O)N1CCC[C@H](OC)C1 CCC[*:1] CC[C@H](CNC(=O)N1CCC[C@@H](C1)OC)C[*:1]
C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](CCO)c2ccccc2)C1 OCC[*:1] C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](c2ccccc2)[*:1])C1
C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](CCO)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](CCO)[*:1])C1
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)NC2CCCC2)cc1 Cc1ccc(cc1)[*:1] CN(CCNS(=O)(=O)[*:1])C(=O)NC1CCCC1
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)S(=O)(=O)NCCN(C)C(=O)N[*:1]
Cc1nnsc1C(=O)N1CCC(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)C(C)(C)O[*:1]
Cc1nnsc1C(=O)N1CCC(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)O[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)C(C)(C)[*:1]
Cc1nnsc1C(=O)N1CCC(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 Cc1nnsc1[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(CC1)C(=O)[*:1]
Cc1cccc(NC(=O)CCNC(=O)N2CC[C@@H](C)C[C@@H]2C)n1 Cc1cccc(n1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCCC(=O)N[*:1]
Cc1cc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])NNC(=O)[*:1]
Cc1cc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)o1 O=[N+]([O-])[*:1] Cc1cc(C(=O)NNC(=O)Cc2ccc(cc2)[*:1])c(C)o1
Cc1cc(NC(=O)CNC(=O)c2ccc([O-])nn2)no1 Cc1cc(no1)[*:1] O=C(CNC(=O)c1ccc([O-])nn1)N[*:1]
CC(C)[C@@H]1CCC[C@](C[NH3+])([NH2+]C[C@]2(C)CCCO2)CC1 C[C@@]1(CCCO1)[*:1] CC(C)[C@@H]1CCC[C@@](C[NH3+])(CC1)[NH2+]C[*:1]
CC(C)[C@@H]1CCC[C@](C[NH3+])([NH2+]C[C@]2(C)CCCO2)CC1 CC(C)[*:1] C[C@]1(CCCO1)C[NH2+][C@@]1(C[NH3+])CCC[C@H](CC1)[*:1]
CCCCC(=O)N1CCC2(CCC([NH+]3CC(n4cccn4)C3)CC2)CC1 CCCC[*:1] O=C(N1CCC2(CCC(CC2)[NH+]2CC(C2)n2cccn2)CC1)[*:1]
CCCCC(=O)N1CCC2(CCC([NH+]3CC(n4cccn4)C3)CC2)CC1 CCC[*:1] O=C(C[*:1])N1CCC2(CCC(CC2)[NH+]2CC(C2)n2cccn2)CC1
CCCCC(=O)N1CCC2(CCC([NH+]3CC(n4cccn4)C3)CC2)CC1 c1cnn(c1)[*:1] CCCCC(=O)N1CCC2(CCC(CC2)[NH+]2CC(C2)[*:1])CC1
CC[C@H](C)n1c[nH+]c(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)c1 FC(F)(F)[*:1] CC[C@H](C)n1c[nH+]c(c1)S(=O)(=O)[N-]c1cc(c[nH]c1=O)[*:1]
CC[C@H](C)n1c[nH+]c(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)c1 CC[C@H](C)[*:1] O=c1[nH]cc(cc1[N-]S(=O)(=O)c1cn(c[nH+]1)[*:1])C(F)(F)F
CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(C)c1 Cc1cccc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)NC1CCCCC1
CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(C)c1 C1CCC(CC1)[*:1] CCn1c(nnc1-c1cccc(C)c1)SCC(=O)N[*:1]
CCc1nc(NC[C@H](C)N(C)c2ccccc2)c2cnn(C)c2n1 c1ccc(cc1)[*:1] CCc1nc(NC[C@H](C)N(C)[*:1])c2cnn(C)c2n1
CCc1nc(NC[C@H](C)N(C)c2ccccc2)c2cnn(C)c2n1 CN(c1ccccc1)[*:1] CCc1nc(NC[C@H](C)[*:1])c2cnn(C)c2n1
Cc1c(/C=C2\C(=O)N(C(c3ccccc3)c3ccccc3)C(=S)N2C)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(/C=C2\C(=O)N(C(=S)N2C)C(c2ccccc2)c2ccccc2)c(=O)n(n1C)[*:1]
Cc1c(/C=C2\C(=O)N(C(c3ccccc3)c3ccccc3)C(=S)N2C)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(/C=C2\C(=O)N(C(=S)N2C)C(c2ccccc2)[*:1])c(=O)n(-c2ccccc2)n1C
COCCN1C(N)=[NH+]C[C@]1(C)c1ccc(F)cc1F COC[*:1] C[C@@]1(C[NH+]=C(N)N1C[*:1])c1ccc(F)cc1F
COCCN1C(N)=[NH+]C[C@]1(C)c1ccc(F)cc1F COCC[*:1] C[C@@]1(C[NH+]=C(N)N1[*:1])c1ccc(F)cc1F
Cc1cccc(/C=C\C(=O)Nc2ccccc2CC(N)=O)c1 NC(=O)C[*:1] Cc1cccc(/C=C\C(=O)Nc2ccccc2[*:1])c1
Cc1cccc(/C=C\C(=O)Nc2ccccc2CC(N)=O)c1 Cc1cccc(c1)[*:1] NC(=O)Cc1ccccc1NC(=O)C=C[*:1]
Cc1cccc(/C=C\C(=O)Nc2ccccc2CC(N)=O)c1 NC(=O)[*:1] Cc1cccc(/C=C\C(=O)Nc2ccccc2C[*:1])c1
COc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 COc1ccccc1[*:1] O=C(N[C@@H](c1ccccc1)c1nnc(o1)-c1ccccc1Cl)N[*:1]
COc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 Clc1ccccc1[*:1] COc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nnc(o1)[*:1]
COc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)N[C@@H](c1nnc(o1)-c1ccccc1Cl)[*:1]
CCn1nc(C)c2nc(CCCl)n(Cc3nc(C)no3)c21 ClCC[*:1] CCn1nc(C)c2nc(n(Cc3nc(C)no3)c21)[*:1]
CCn1nc(C)c2nc(CCCl)n(Cc3nc(C)no3)c21 Cc1noc(n1)[*:1] CCn1nc(C)c2nc(CCCl)n(C[*:1])c21
CCn1nc(C)c2nc(CCCl)n(Cc3nc(C)no3)c21 Cc1noc(C[*:1])n1 CCn1nc(C)c2nc(CCCl)n(c21)[*:1]
COc1ccc(Cl)cc1CC1(c2ccccc2Cl)C[NH2+]C1 Clc1ccccc1[*:1] COc1ccc(Cl)cc1CC1(C[NH2+]C1)[*:1]
CC(C)(C)[C@H](N)C(=O)N1CCO[C@@H](C#N)C1 CC(C)(C)[*:1] N#C[C@H]1CN(CCO1)C(=O)[C@@H](N)[*:1]
CCOc1c(C)cc(Cl)cc1[C@@H](N)C[NH3+] CCO[*:1] Cc1cc(Cl)cc(c1[*:1])[C@@H](N)C[NH3+]
CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(F)c(F)c1F)c1ccc(cc1)C[*:1]
CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 CS(=O)(=O)C[*:1] O=C(Nc1ccc(F)c(F)c1F)c1ccc(cc1)[*:1]
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CC=C(CC1)[*:1]
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CC=C(c2ccccc2)CC1 c1csc(c1)C[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])N1CC=C(CC1)c1ccccc1
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CC=C(c2ccccc2)CC1 C1CC1[*:1] O=C(CSc1nnc(Cc2cccs2)n1[*:1])N1CC=C(CC1)c1ccccc1
O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CC=C(c2ccccc2)CC1 c1csc(c1)[*:1] O=C(CSc1nnc(C[*:1])n1C1CC1)N1CC=C(CC1)c1ccccc1
CCCSc1nc(=O)cc(CC(=O)[O-])[nH]1 O=C([O-])[*:1] CCCSc1nc(=O)cc(C[*:1])[nH]1
CCCSc1nc(=O)cc(CC(=O)[O-])[nH]1 CCC[*:1] O=C([O-])Cc1cc(=O)nc([nH]1)S[*:1]
CCCSc1nc(=O)cc(CC(=O)[O-])[nH]1 CCCS[*:1] O=C([O-])Cc1cc(=O)nc([nH]1)[*:1]
CCCSc1nc(=O)cc(CC(=O)[O-])[nH]1 O=C([O-])C[*:1] CCCSc1nc(=O)cc([nH]1)[*:1]
CC[C@H](C)C(=O)N1CCC[C@@H]1CC(C)=O CC(=O)C[*:1] CC[C@H](C)C(=O)N1CCC[C@H]1[*:1]
CC[C@H](C)C(=O)N1CCC[C@@H]1CC(C)=O CC[C@H](C)[*:1] CC(=O)C[C@H]1CCCN1C(=O)[*:1]
CC[C@H](C)C(=O)N1CCC[C@@H]1CC(C)=O CC(=O)[*:1] CC[C@H](C)C(=O)N1CCC[C@@H]1C[*:1]
COC[C@@H](C)N1CC[NH+](Cc2ccccc2C#N)CC1 COC[C@@H](C)[*:1] N#Cc1ccccc1C[NH+]1CCN(CC1)[*:1]
COC[C@@H](C)N1CC[NH+](Cc2ccccc2C#N)CC1 COC[*:1] C[C@@H](N1CC[NH+](CC1)Cc1ccccc1C#N)[*:1]
COc1ccc(-c2n[nH]cc2CN2CCC[C@H](c3nc(C)cs3)C2)cc1 COc1ccc(cc1)[*:1] Cc1csc(n1)[C@H]1CCCN(Cc2c[nH]nc2[*:1])C1
COc1ccc(-c2n[nH]cc2CN2CCC[C@H](c3nc(C)cs3)C2)cc1 Cc1csc(n1)[*:1] COc1ccc(cc1)-c1n[nH]cc1CN1CCC[C@H](C1)[*:1]
CC[C@H](NC(=O)Nc1cc(C)c(NC(C)=O)c(C)c1)c1cccs1 CC(=O)N[*:1] CC[C@H](NC(=O)Nc1cc(C)c(c(C)c1)[*:1])c1cccs1
CC[C@H](NC(=O)Nc1cc(C)c(NC(C)=O)c(C)c1)c1cccs1 CC[C@H](c1cccs1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N[*:1]
CC[C@H](NC(=O)Nc1cc(C)c(NC(C)=O)c(C)c1)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)Nc1cc(C)c(NC(C)=O)c(C)c1)[*:1]
O=C(NCc1cnn(-c2ccccc2)c1)N[C@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(NCc1cnn(c1)[*:1])N[C@H]1CCCc2ccccc21
CNC(=O)[C@@H](C)CN(C)C(=O)c1sc2cccc(F)c2c1C CNC(=O)[C@@H](C)[*:1] Cc1c(sc2cccc(F)c12)C(=O)N(C)C[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1sc2cccc(F)c2c1C CNC(=O)[*:1] Cc1c(sc2cccc(F)c12)C(=O)N(C)C[C@H](C)[*:1]
C=CCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1 C=CC[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)O[*:1])c1ccc2OCOc2c1
C=CCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1 C=CCO[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc2OCOc2c1
Cc1ccc2[nH]c(=O)c(CN(CC(C)C)C(=O)c3cccnc3)cc2c1 CC(C)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C[*:1])C(=O)c1cccnc1
Cc1ccc2[nH]c(=O)c(CN(CC(C)C)C(=O)c3cccnc3)cc2c1 c1cncc(c1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(CC(C)C)C(=O)[*:1]
Cc1ccc2[nH]c(=O)c(CN(CC(C)C)C(=O)c3cccnc3)cc2c1 CC(C)C[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)c1cccnc1)[*:1]
CCc1ccc(C(C)(C)C(=O)N(CC)Cc2ccccn2)cc1 c1ccc(C[*:1])nc1 CCc1ccc(cc1)C(C)(C)C(=O)N(CC)[*:1]
CCc1ccc(C(C)(C)C(=O)N(CC)Cc2ccccn2)cc1 c1ccc(nc1)[*:1] CCc1ccc(cc1)C(C)(C)C(=O)N(CC)C[*:1]
CCS(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccc(C(C)C)cc2)cc1 CC(C)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)N(C)Cc1ccc(cc1)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)N(C)Cc2ccc(C(C)C)cc2)cc1 CCS(=O)(=O)[*:1] CC(C)c1ccc(cc1)CN(C)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccc(Cl)cc3)c2n1 Clc1ccc(cc1)C[*:1] Cc1cc(C(F)F)n2ncc(C(=O)N[*:1])c2n1
Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccc(Cl)cc3)c2n1 FC(F)[*:1] Cc1cc(n2ncc(C(=O)NCc3ccc(Cl)cc3)c2n1)[*:1]
Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccc(Cl)cc3)c2n1 Clc1ccc(cc1)[*:1] Cc1cc(C(F)F)n2ncc(C(=O)NC[*:1])c2n1
CCOc1ccc(-c2nc(N)ncc2Oc2cccc(OC)c2)c([O-])c1 COc1cccc(c1)[*:1] CCOc1ccc(c([O-])c1)-c1nc(N)ncc1O[*:1]
CCOc1ccc(-c2nc(N)ncc2Oc2cccc(OC)c2)c([O-])c1 CCO[*:1] COc1cccc(c1)Oc1cnc(N)nc1-c1ccc(cc1[O-])[*:1]
CC1(C)Cc2cccc(OCC#CCNC(=O)c3ccccc3)c2O1 c1ccc(cc1)[*:1] CC1(C)Cc2cccc(OCC#CCNC(=O)[*:1])c2O1
COC[C@@H](O)CN(C)C(=O)c1ncoc1-c1ccc(C)cc1 COC[C@@H](O)[*:1] Cc1ccc(cc1)-c1ocnc1C(=O)N(C)C[*:1]
COC[C@@H](O)CN(C)C(=O)c1ncoc1-c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)-c1ocnc1C(=O)N(C)C[C@H](O)[*:1]
COC[C@@H](O)CN(C)C(=O)c1ncoc1-c1ccc(C)cc1 COC[C@@H](O)C[*:1] Cc1ccc(cc1)-c1ocnc1C(=O)N(C)[*:1]
COC[C@@H](O)CN(C)C(=O)c1ncoc1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC[C@@H](O)CN(C)C(=O)c1ncoc1[*:1]
CN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O
CN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
COCCN1CCN(C(=O)c2cc[nH]c2)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)c1cc[nH]c1
COCCN1CCN(C(=O)c2cc[nH]c2)CC1=O c1cc(c[nH]1)[*:1] COCCN1CCN(CC1=O)C(=O)[*:1]
COCCN1CCN(C(=O)c2cc[nH]c2)CC1=O COCC[*:1] O=C(c1cc[nH]c1)N1CCN(C(=O)C1)[*:1]
Cc1nn(CC(=O)C(C#N)=C2N(C)c3ccccc3N2C)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)C(C#N)=C2N(C)c3ccccc3N2C)c(C)c1[*:1]
COCCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)[nH+]c1 COC[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)NCC[*:1]
COCCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)[nH+]c1 COCCC[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
COCCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)[nH+]c1 COCC[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)NC[*:1]
O=C(CN1CCSC1=O)Nc1cccc[n+]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCSC1=O)Nc1cccc[n+]1C[*:1]
O=C(CN1CCSC1=O)Nc1cccc[n+]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CCSC1=O)Nc1cccc[n+]1[*:1]
O=C(CN1CCSC1=O)Nc1cccc[n+]1Cc1ccccc1 O=C1SCCN1[*:1] O=C(C[*:1])Nc1cccc[n+]1Cc1ccccc1
O=C(CN1CCSC1=O)Nc1cccc[n+]1Cc1ccccc1 O=C1SCCN1C[*:1] O=C(Nc1cccc[n+]1Cc1ccccc1)[*:1]
COc1cccc([C@H](CC(=O)Nc2cc(Cl)ccc2C)n2cccc2)c1 Cc1ccc(Cl)cc1[*:1] COc1cccc(c1)[C@H](CC(=O)N[*:1])n1cccc1
COc1cccc([C@H](CC(=O)Nc2cc(Cl)ccc2C)n2cccc2)c1 COc1cccc(c1)[*:1] Cc1ccc(Cl)cc1NC(=O)C[C@H](n1cccc1)[*:1]
COc1cccc([C@H](CC(=O)Nc2cc(Cl)ccc2C)n2cccc2)c1 c1ccn(c1)[*:1] COc1cccc(c1)[C@H](CC(=O)Nc1cc(Cl)ccc1C)[*:1]
Cc1cccc(O[C@H](C)C(=O)N[C@H]2CCSc3ccccc32)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N[C@H]1CCSc2ccccc21
C[C@@H]1CCC/C(=C\Nc2ccc(C(=O)[O-])c(O)c2)C1=O O=C([O-])[*:1] C[C@@H]1CCC/C(=C\Nc2ccc(c(O)c2)[*:1])C1=O
O=C(NCc1cccc(Br)c1)N1CCN(CCc2ccccc2)CC1 Brc1cccc(c1)[*:1] O=C(NC[*:1])N1CCN(CCc2ccccc2)CC1
O=C(NCc1cccc(Br)c1)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCc1cccc(Br)c1)N1CCN(CC1)CC[*:1]
O=C(NCc1cccc(Br)c1)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(NCc1cccc(Br)c1)N1CCN(CC1)C[*:1]
O=C(NCc1cccc(Br)c1)N1CCN(CCc2ccccc2)CC1 Brc1cccc(c1)C[*:1] O=C(N[*:1])N1CCN(CCc2ccccc2)CC1
O=C(NCc1cccc(Br)c1)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(NCc1cccc(Br)c1)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)[C@H]([NH2+]Cc2ccco2)c2ccccc2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)NC(=O)[C@H]([NH2+]C[*:1])c1ccccc1
Cc1ccc(NC(=O)[C@H]([NH2+]Cc2ccco2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]([NH2+]Cc1ccco1)c1ccccc1
Cc1ccc(NC(=O)[C@H]([NH2+]Cc2ccco2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H]([NH2+]Cc1ccco1)[*:1]
COc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc(Br)c1OC c1ccc(cc1)[*:1] COc1cc(/C=N/NC(=O)[C@H](OC)[*:1])cc(Br)c1OC
O=C(CSc1nc(=O)n(CCCO)c2c1CCC2)Nc1ccccc1 OCCC[*:1] O=C(CSc1nc(=O)n(c2CCCc12)[*:1])Nc1ccccc1
O=C(CSc1nc(=O)n(CCCO)c2c1CCC2)Nc1ccccc1 OCC[*:1] O=C(CSc1nc(=O)n(C[*:1])c2CCCc12)Nc1ccccc1
O=C(CSc1nc(=O)n(CCCO)c2c1CCC2)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc(=O)n(CCCO)c2CCCc12)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)Nc1cc(C#N)c2cc(Cl)ccc2n1 CC[C@H](C)NC(=O)[*:1] C[C@H](Nc1cc(C#N)c2cc(Cl)ccc2n1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)Nc1cc(C#N)c2cc(Cl)ccc2n1 CC[C@H](C)[*:1] C[C@H](Nc1cc(C#N)c2cc(Cl)ccc2n1)C(=O)N[*:1]
CCOc1ccc([C@@H](NC(C)=O)c2cc(OC)c(OC)cc2Br)cc1 CC(=O)N[*:1] CCOc1ccc(cc1)[C@@H](c1cc(OC)c(cc1Br)OC)[*:1]
CCOc1ccc([C@@H](NC(C)=O)c2cc(OC)c(OC)cc2Br)cc1 CCO[*:1] COc1cc(Br)c(cc1OC)[C@H](NC(C)=O)c1ccc(cc1)[*:1]
COC(=O)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C1CC1 COC(=O)C[*:1] O=C(N[C@H](C1CC1)[*:1])[C@@H](O)c1ccccc1
COC(=O)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C1CC1 COC(=O)[*:1] O=C(N[C@@H](C[*:1])C1CC1)[C@@H](O)c1ccccc1
COC(=O)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C1CC1 C1CC1[*:1] COC(=O)C[C@H](NC(=O)[C@@H](O)c1ccccc1)[*:1]
COC(=O)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C1CC1 c1ccc(cc1)[*:1] COC(=O)C[C@H](NC(=O)[C@@H](O)[*:1])C1CC1
CCc1nnc(CNc2cc3c(cc2Cl)NC(=O)CO3)o1 CCc1nnc(o1)[*:1] O=C1COc2cc(NC[*:1])c(Cl)cc2N1
CC(C)C(=O)Nc1ccccc1[C@H]1[NH+]=c2ccccc2=[NH+]C1=O CC(C)[*:1] O=C1[NH+]=c2ccccc2=[NH+][C@@H]1c1ccccc1NC(=O)[*:1]
CC(C)C(=O)Nc1ccccc1[C@H]1[NH+]=c2ccccc2=[NH+]C1=O CC(C)C(=O)N[*:1] O=C1[NH+]=c2ccccc2=[NH+][C@@H]1c1ccccc1[*:1]
O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)N[*:1]
O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(CCn1nc(c2ccccc2c1=O)[*:1])Nc1ccc(Br)cc1
C=CCN[C@@]1(C(=O)OCC)CS[C@@H](C)C1 C=CCN[*:1] CCOC(=O)[C@]1(CS[C@@H](C)C1)[*:1]
C=CCN[C@@]1(C(=O)OCC)CS[C@@H](C)C1 CCOC(=O)[*:1] C=CCN[C@]1(CS[C@@H](C)C1)[*:1]
C=CCN[C@@]1(C(=O)OCC)CS[C@@H](C)C1 C=CC[*:1] CCOC(=O)[C@@]1(CS[C@@H](C)C1)N[*:1]
Cc1cc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)oc1C Cc1cc(oc1C)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)[*:1]
Cc1cc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)oc1C CC(C)(C)OC(=O)[*:1] Cc1cc(oc1C)C(=O)NC1CCC(CC1)[*:1]
Cc1cc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)oc1C CC(C)(C)[*:1] Cc1cc(oc1C)C(=O)NC1CCC(CC1)C(=O)O[*:1]
CCOC(=O)N1CCc2nc(NC(=O)C3CCCC3)sc2C1 C1CCC(C1)[*:1] CCOC(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1ccc2nsnc2c1 Cc1nn(C)c(C)c1[*:1] CN(Cc1ccc2nsnc2c1)C(=O)CC[*:1]
C[C@@H](On1nnc2ccc(C(F)(F)F)cc21)C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](On1nnc2ccc(cc21)C(F)(F)F)C(=O)N1CCN(CC1)[*:1]
C[C@@H](On1nnc2ccc(C(F)(F)F)cc21)C(=O)N1CCN(Cc2ccccc2)CC1 FC(F)(F)[*:1] C[C@@H](On1nnc2ccc(cc21)[*:1])C(=O)N1CCN(CC1)Cc1ccccc1
C[C@@H](On1nnc2ccc(C(F)(F)F)cc21)C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](On1nnc2ccc(cc21)C(F)(F)F)C(=O)N1CCN(CC1)C[*:1]
C[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 Clc1ccccc1[*:1] C[NH+]1CCN(CC1)C(=O)CC1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1ccc(N(C)C)cc1OCc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1OCc1coc(n1)[*:1])N(C)C
CC(=O)c1ccc(N(C)C)cc1OCc1coc(-c2ccccc2)n1 CC(=O)[*:1] CN(C)c1ccc(c(c1)OCc1coc(n1)-c1ccccc1)[*:1]
CC(=O)c1ccc(N(C)C)cc1OCc1coc(-c2ccccc2)n1 CN(C)[*:1] CC(=O)c1ccc(cc1OCc1coc(n1)-c1ccccc1)[*:1]
CC(C)N1CC[C@@H](Oc2ccc(C(=O)NC3CC3)cc2)C1=O CC(C)[*:1] O=C(NC1CC1)c1ccc(cc1)O[C@@H]1CCN(C1=O)[*:1]
CC(C)N1CC[C@@H](Oc2ccc(C(=O)NC3CC3)cc2)C1=O O=C(NC1CC1)[*:1] CC(C)N1CC[C@@H](Oc2ccc(cc2)[*:1])C1=O
CC(C)N1CC[C@@H](Oc2ccc(C(=O)NC3CC3)cc2)C1=O C1CC1[*:1] CC(C)N1CC[C@@H](Oc2ccc(cc2)C(=O)N[*:1])C1=O
CC/C(=C/C(=O)N(C)CCCS(C)(=O)=O)c1ccc(C)cc1 CS(=O)(=O)C[*:1] CC/C(=C/C(=O)N(C)CC[*:1])c1ccc(C)cc1
CC/C(=C/C(=O)N(C)CCCS(C)(=O)=O)c1ccc(C)cc1 CS(=O)(=O)[*:1] CC/C(=C/C(=O)N(C)CCC[*:1])c1ccc(C)cc1
CC/C(=C/C(=O)N(C)CCCS(C)(=O)=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCC(=CC(=O)N(C)CCCS(C)(=O)=O)[*:1]
CC/C(=C/C(=O)N(C)CCCS(C)(=O)=O)c1ccc(C)cc1 CS(=O)(=O)CC[*:1] CC/C(=C/C(=O)N(C)C[*:1])c1ccc(C)cc1
CC/C(=C/C(=O)N(C)CCCS(C)(=O)=O)c1ccc(C)cc1 CS(=O)(=O)CCC[*:1] CC/C(=C/C(=O)N(C)[*:1])c1ccc(C)cc1
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] N#C/C(=C\c1cn(nc1-c1ccc(cc1)[N+](=O)[O-])-c1ccccc1)C(=O)N[*:1]
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1 c1ccc(cc1)[*:1] N#C/C(=C\c1cn(nc1-c1ccc(cc1)[N+](=O)[O-])[*:1])C(=O)NCc1cccnc1
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1 O=[N+]([O-])[*:1] N#C/C(=C\c1cn(nc1-c1ccc(cc1)[*:1])-c1ccccc1)C(=O)NCc1cccnc1
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1 c1cncc(c1)[*:1] N#C/C(=C\c1cn(nc1-c1ccc(cc1)[N+](=O)[O-])-c1ccccc1)C(=O)NC[*:1]
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1 O=[N+]([O-])c1ccc(cc1)[*:1] N#C/C(=C\c1cn(nc1[*:1])-c1ccccc1)C(=O)NCc1cccnc1
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1 O=C(NCc1cccnc1)[*:1] N#CC(=Cc1cn(nc1-c1ccc(cc1)[N+](=O)[O-])-c1ccccc1)[*:1]
CC[N+]1(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CCCC1 c1ccc(cc1)[*:1] CC[N+]1(CCCC1)C[C@@H](O)COc1ccc(cc1)[*:1]
CCC[NH2+][C@H](CC1CCCC1)[C@H]1CSCCS1 CCC[*:1] C1CCC(C1)C[C@@H]([NH2+][*:1])[C@H]1CSCCS1
CCC[NH2+][C@H](CC1CCCC1)[C@H]1CSCCS1 C1CCC(C1)[*:1] CCC[NH2+][C@H](C[*:1])[C@H]1CSCCS1
Cc1ccc(-c2nc(NCC[NH+]3CCCC3)ncc2-c2cncnc2)cc1 Cc1ccc(cc1)[*:1] c1ncc(cn1)-c1cnc(nc1[*:1])NCC[NH+]1CCCC1
Cc1ccc(-c2nc(NCC[NH+]3CCCC3)ncc2-c2cncnc2)cc1 c1ncc(cn1)[*:1] Cc1ccc(cc1)-c1nc(ncc1[*:1])NCC[NH+]1CCCC1
COc1ccc(-c2nc(C)c([C@H](C)NCCc3nc[nH]n3)s2)cc1 COc1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)NCCc1nc[nH]n1)[*:1]
COc1cc(C(=O)N(C)[C@H](C)c2ccccc2)cc(Cl)c1OCC(N)=O C[C@H](c1ccccc1)[*:1] COc1cc(cc(Cl)c1OCC(N)=O)C(=O)N(C)[*:1]
COc1cc(C(=O)N(C)[C@H](C)c2ccccc2)cc(Cl)c1OCC(N)=O c1ccc(cc1)[*:1] COc1cc(cc(Cl)c1OCC(N)=O)C(=O)N(C)[C@H](C)[*:1]
COc1cc(C(=O)N(C)[C@H](C)c2ccccc2)cc(Cl)c1OCC(N)=O NC(=O)CO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)N(C)[C@H](C)c1ccccc1
COc1cc(C(=O)N(C)[C@H](C)c2ccccc2)cc(Cl)c1OCC(N)=O NC(=O)[*:1] COc1cc(cc(Cl)c1OC[*:1])C(=O)N(C)[C@H](C)c1ccccc1
COc1cc(C(=O)N(C)[C@H](C)c2ccccc2)cc(Cl)c1OCC(N)=O NC(=O)C[*:1] COc1cc(cc(Cl)c1O[*:1])C(=O)N(C)[C@H](C)c1ccccc1
O=C1CS/C(=N/N=C/c2cccc([N+](=O)[O-])c2[O-])N1 O=[N+]([O-])[*:1] O=C1CS/C(=N/N=C/c2cccc(c2[O-])[*:1])N1
CC(C)N(C)C(=O)CN1C[C@H]2C[NH2+]CCN2C1=O CC(C)[*:1] CN(C(=O)CN1C[C@H]2C[NH2+]CCN2C1=O)[*:1]
O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])c3cccnc23)c1)c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1cccc(c1)CNc1ccc(c2cccnc12)[N+](=O)[O-])[*:1]
O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])c3cccnc23)c1)c1ccncc1 O=C(N[*:1])c1ccncc1 O=[N+]([O-])c1ccc(NCc2cccc(c2)[*:1])c2ncccc12
O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])c3cccnc23)c1)c1ccncc1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)CNc1ccc(c2cccnc12)[*:1])c1ccncc1
C[NH+]1CCC(NC(=O)c2ccc(C3SCCS3)cc2)CC1 C1CSC(S1)[*:1] C[NH+]1CCC(CC1)NC(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc([C@]2(C(=O)[O-])CCC[C@@H]2C)cc1 CC(C)[*:1] C[C@H]1CCC[C@@]1(C(=O)[O-])c1ccc(cc1)[*:1]
CC(C)c1ccc([C@]2(C(=O)[O-])CCC[C@@H]2C)cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)[C@@]1(CCC[C@@H]1C)[*:1]
O=S(=O)(N1CCOCC1)N1CCCC[C@H]1[C@@H]1CCC[C@@H]1O O[C@H]1CCC[C@H]1[*:1] O=S(=O)(N1CCOCC1)N1CCCC[C@@H]1[*:1]
C[C@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CC1 C1CO[C@@H](C1)C[*:1] C[C@H]1CN(CC[C@@H]1[NH2+]CC1(CC1)c1c(F)cccc1F)[*:1]
C[C@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CC1 C1CO[C@@H](C1)[*:1] C[C@H]1CN(CC[C@@H]1[NH2+]CC1(CC1)c1c(F)cccc1F)C[*:1]
C[C@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CC1 Fc1cccc(F)c1[*:1] C[C@H]1CN(CC[C@@H]1[NH2+]CC1(CC1)[*:1])C[C@@H]1CCCO1
CNC(=O)NCC(=O)N(C)C1C2CC3CC(C2)CC1C3 CNC(=O)NC[*:1] CN(C(=O)[*:1])C1C2CC3CC(C2)CC1C3
CNC(=O)NCC(=O)N(C)C1C2CC3CC(C2)CC1C3 CNC(=O)N[*:1] CN(C(=O)C[*:1])C1C2CC3CC(C2)CC1C3
CCCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(-c2n[nH]c(C)n2)c1 CCC[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)[C@@H]1CCCCN1C(=O)[*:1]
CCCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(-c2n[nH]c(C)n2)c1 Cc1nc(n[nH]1)[*:1] CCCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(c1)[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(C(C)C)[nH]n1 CC(C)[*:1] CC(C)c1cc(n[nH]1)C(=O)NC[C@H](C)C(=O)O[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(C(C)C)[nH]n1 CC(C)OC(=O)[*:1] CC(C)c1cc(n[nH]1)C(=O)NC[C@H](C)[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(C(C)C)[nH]n1 CC(C)[*:1] CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc([nH]n1)[*:1]
COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1OC(F)F FC(F)[*:1] COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1O[*:1]
COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1OC(F)F FC(F)O[*:1] COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1[*:1]
COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1OC(F)F COc1ccccc1[*:1] N#Cc1ccc(OC(F)F)c(c1)NC(=O)[C@@H]1C[C@@H]1[*:1]
COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1ncccc1Cl Clc1cccnc1[*:1] COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)[*:1]
CC(C)(CCO)CNC(=O)NCc1cccs1 c1csc(c1)[*:1] CC(C)(CCO)CNC(=O)NC[*:1]
CC(C)(CCO)CNC(=O)NCc1cccs1 OCC[*:1] CC(C)(CNC(=O)NCc1cccs1)[*:1]
O=C(CCc1nc2ccccc2[nH]c1=O)NCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] O=C(CCc1nc2ccccc2[nH]c1=O)NC[*:1]
COc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)NC(=O)CSc1nc([O-])cc(=O)n1[*:1]
COc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1-n1c(nc([O-])cc1=O)SCC(=O)N[*:1]
Cc1ccccc1CCNc1cccc(C(N)=S)[nH+]1 NC(=S)[*:1] Cc1ccccc1CCNc1cccc([nH+]1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1c(F)cccc1Cl CC[C@H](C)NC(=O)[*:1] C[C@@H](S(=O)(=O)Cc1c(F)cccc1Cl)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1c(F)cccc1Cl CC[C@H](C)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1c(F)cccc1Cl
NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1nnc(s1)[*:1]
NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1nnc(-c2ccccc2)s1 NC(=O)[*:1] O=C(Nc1nnc(s1)-c1ccccc1)N[C@@H]1CCC[C@H]1[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)OC3CN(c4nc5ccccc5s4)C3)cc2)C[C@@H](C)O1 c1ccc2sc(nc2c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)OC1CN(C1)[*:1]
C[C@@H](C(=O)NCc1cccc(Cn2ccnc2)c1)c1ccsc1 c1cn(cn1)[*:1] C[C@@H](C(=O)NCc1cccc(c1)C[*:1])c1ccsc1
C[C@@H](C(=O)NCc1cccc(Cn2ccnc2)c1)c1ccsc1 c1cn(cn1)C[*:1] C[C@@H](C(=O)NCc1cccc(c1)[*:1])c1ccsc1
C[C@@H](C(=O)NCc1cccc(Cn2ccnc2)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)NCc1cccc(c1)Cn1ccnc1)[*:1]
O=C(CCCO)Nc1cccc2ncccc12 OCC[*:1] O=C(C[*:1])Nc1cccc2ncccc12
O=C(CCCO)Nc1cccc2ncccc12 OCCC[*:1] O=C(Nc1cccc2ncccc12)[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)c1ccc(C)c(Cl)c1 CC(=O)C[*:1] Cc1ccc(cc1Cl)C(=O)N1CCCCC[C@@H]1[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)c1ccc(C)c(Cl)c1 CC(=O)[*:1] Cc1ccc(cc1Cl)C(=O)N1CCCCC[C@@H]1C[*:1]
CC(=O)c1cc(F)ccc1OCC(=O)N[C@H]1CCOc2ccccc21 CC(=O)[*:1] O=C(COc1ccc(F)cc1[*:1])N[C@H]1CCOc2ccccc21
CC(C)OC(=O)c1ccc2ncc3c(=O)[nH]c(N)nc3c2c1 CC(C)[*:1] Nc1nc2c(cnc3ccc(cc32)C(=O)O[*:1])c(=O)[nH]1
CC(C)OC(=O)c1ccc2ncc3c(=O)[nH]c(N)nc3c2c1 CC(C)OC(=O)[*:1] Nc1nc2c(cnc3ccc(cc32)[*:1])c(=O)[nH]1
C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)N[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1nc(n[nH]1)-c1ccccc1F)C(=O)N[C@@H](C)[*:1]
C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)N[C@@H](C)c1ccc(F)cc1 C[C@@H](c1ccc(F)cc1)[*:1] C[C@H](Sc1nc(n[nH]1)-c1ccccc1F)C(=O)N[*:1]
C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)N[C@@H](C)c1ccc(F)cc1 Fc1ccccc1[*:1] C[C@H](Sc1nc(n[nH]1)[*:1])C(=O)N[C@@H](C)c1ccc(F)cc1
Cc1cnc(C(C)(C)NC(=O)Cc2c[nH]c3cc(Cl)ccc23)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)Cc1c[nH]c2cc(Cl)ccc12)[*:1]
CC[C@@](C)(C(=O)[O-])n1nnnc1[C@@H]1[C@H](C)[C@H](C)O[C@@H]1C O=C([O-])[*:1] CC[C@@](C)(n1nnnc1[C@@H]1[C@H](C)[C@H](C)O[C@@H]1C)[*:1]
CC(C)[C@@H]([NH2+][C@H](C)C1CCC1)c1nc(-c2nc[nH]n2)no1 CC(C)[*:1] C[C@@H]([NH2+][C@@H](c1nc(no1)-c1nc[nH]n1)[*:1])C1CCC1
CC(C)[C@@H]([NH2+][C@H](C)C1CCC1)c1nc(-c2nc[nH]n2)no1 C1CC(C1)[*:1] CC(C)[C@@H]([NH2+][C@H](C)[*:1])c1nc(no1)-c1nc[nH]n1
CC(C)[C@@H]([NH2+][C@H](C)C1CCC1)c1nc(-c2nc[nH]n2)no1 C[C@H](C1CCC1)[*:1] CC(C)[C@@H]([NH2+][*:1])c1nc(no1)-c1nc[nH]n1
CC(C)[C@@H]([NH2+][C@H](C)C1CCC1)c1nc(-c2nc[nH]n2)no1 c1nc(n[nH]1)[*:1] CC(C)[C@@H]([NH2+][C@H](C)C1CCC1)c1nc(no1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(CCC#N)Cc3cccnc3)C2)cc1 N#CCC[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)N(Cc1cccnc1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(CCC#N)Cc3cccnc3)C2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)N(CCC#N)C[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(CCC#N)Cc3cccnc3)C2)cc1 N#CC[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)N(Cc1cccnc1)C[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(CCC#N)Cc3cccnc3)C2)cc1 Cc1ccc(cc1)[*:1] N#CCCN(Cc1cccnc1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(CCC#N)Cc3cccnc3)C2)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)N(CCC#N)[*:1]
Cc1ccccc1[C@@H](NC[C@](C)(O)c1cnn(C)c1)C1CC1 Cn1cc(cn1)[*:1] Cc1ccccc1[C@@H](NC[C@](C)(O)[*:1])C1CC1
Cc1ccccc1[C@@H](NC[C@](C)(O)c1cnn(C)c1)C1CC1 C1CC1[*:1] Cc1ccccc1[C@@H](NC[C@](C)(O)c1cnn(C)c1)[*:1]
Cc1ccccc1[C@@H](NC[C@](C)(O)c1cnn(C)c1)C1CC1 Cc1ccccc1[*:1] Cn1cc(cn1)[C@@](C)(O)CN[C@@H](C1CC1)[*:1]
O=C(NCc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(NCc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
O=C(NCc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(cc1)N1CCCC1=O
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1cc(C(=O)[O-])ccc1Cl O=C([O-])[*:1] CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1cc(ccc1Cl)[*:1]
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1cc(C(=O)[O-])ccc1Cl C1CN(CCO1)CC[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\Nc1cc(ccc1Cl)C(=O)[O-])[*:1]
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1cc(C(=O)[O-])ccc1Cl C1CN(CCO1)C[*:1] CC1=C(C#N)C(=O)N(C[*:1])C(=O)/C1=C\Nc1cc(ccc1Cl)C(=O)[O-]
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1cc(C(=O)[O-])ccc1Cl C1CN(CCO1)[*:1] CC1=C(C#N)C(=O)N(CC[*:1])C(=O)/C1=C\Nc1cc(ccc1Cl)C(=O)[O-]
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1cc(C(=O)[O-])ccc1Cl O=C([O-])c1ccc(Cl)c(c1)[*:1] CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\N[*:1]
Cc1csc(C[C@H](O)c2cncn2C2CC2)n1 C1CC1[*:1] Cc1csc(C[C@H](O)c2cncn2[*:1])n1
C[NH2+][C@@H](COC(C)C)c1ncc(Cl)cc1Cl CC(C)[*:1] C[NH2+][C@@H](CO[*:1])c1ncc(Cl)cc1Cl
C[NH2+][C@@H](COC(C)C)c1ncc(Cl)cc1Cl CC(C)O[*:1] C[NH2+][C@@H](C[*:1])c1ncc(Cl)cc1Cl
C[NH2+][C@@H](COC(C)C)c1ncc(Cl)cc1Cl CC(C)OC[*:1] C[NH2+][C@@H](c1ncc(Cl)cc1Cl)[*:1]
CCOc1cc2c(cc1NC(=O)CN1C(=O)COc3ccccc31)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)NC(=O)CN1C(=O)COc2ccccc21)[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)CCc2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)CC[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)CCc2ccc(F)c(F)c2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)CCc1ccc(F)c(F)c1)[C@@H](O)[*:1]
Cc1c(C(=O)[O-])sc2c1=C(CSc1nncn1-c1ccccc1)CC(=O)N=2 O=C([O-])[*:1] Cc1c(sc2=NC(=O)CC(CSc3nncn3-c3ccccc3)=c12)[*:1]
Cc1c(C(=O)[O-])sc2c1=C(CSc1nncn1-c1ccccc1)CC(=O)N=2 c1ccc(cc1)[*:1] Cc1c(sc2=NC(=O)CC(CSc3nncn3[*:1])=c12)C(=O)[O-]
Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1nn(-c2ccc(F)cc2)c(c1C(=O)N1CCN(CC1)[*:1])-n1cccc1
Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 c1ccn(c1)[*:1] Cc1nn(-c2ccc(F)cc2)c(c1C(=O)N1CCN(CC1)c1ccc(Cl)cc1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1nn(c(c1C(=O)N1CCN(CC1)c1ccc(Cl)cc1)-n1cccc1)[*:1]
COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cccs1 OCc1ccc(o1)[*:1] COc1ccc(cc1NC(=S)NC(=O)c1cccs1)[*:1]
COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cccs1 c1csc(c1)[*:1] COc1ccc(cc1NC(=S)NC(=O)[*:1])-c1ccc(CO)o1
NC(=O)[C@H](NC(=O)NCCOc1ccc(Cl)cc1)c1ccccc1 NC(=O)[*:1] O=C(NCCOc1ccc(Cl)cc1)N[C@H](c1ccccc1)[*:1]
NC(=O)[C@H](NC(=O)NCCOc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] NC(=O)[C@H](NC(=O)NCCO[*:1])c1ccccc1
NC(=O)[C@H](NC(=O)NCCOc1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](NC(=O)NCCOc1ccc(Cl)cc1)[*:1]
NC(=O)[C@H](NC(=O)NCCOc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)O[*:1] NC(=O)[C@H](NC(=O)NCC[*:1])c1ccccc1
COCCOC(=O)c1sc2nc(-c3oc4ccccc4c3C)[nH]c(=O)c2c1C COCCOC(=O)[*:1] Cc1c(oc2ccccc12)-c1nc2sc(c(C)c2c(=O)[nH]1)[*:1]
COCCOC(=O)c1sc2nc(-c3oc4ccccc4c3C)[nH]c(=O)c2c1C COCC[*:1] Cc1c(oc2ccccc12)-c1nc2sc(C(=O)O[*:1])c(C)c2c(=O)[nH]1
COCCOC(=O)c1sc2nc(-c3oc4ccccc4c3C)[nH]c(=O)c2c1C COC[*:1] Cc1c(oc2ccccc12)-c1nc2sc(C(=O)OC[*:1])c(C)c2c(=O)[nH]1
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Oc1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(Cn1c(=O)[nH]c2ccccc2c1=O)O[*:1]
CC[C@H]1S/C(=N\N=C/c2ccco2)N(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CC[C@H]1S/C(=N\N=C/c2ccco2)N(C[*:1])C1=O
CC[C@H]1S/C(=N\N=C/c2ccco2)N(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CC[C@H]1S/C(=N\N=C/c2ccco2)N(C1=O)[*:1]
CC[C@H]1S/C(=N\N=C/c2ccco2)N(Cc2ccccc2)C1=O c1coc(c1)[*:1] CC[C@H]1S/C(=N\N=C[*:1])N(Cc2ccccc2)C1=O
Cc1nc(-c2ccc(S(=O)(=O)N3CC[NH2+][C@H](C(=O)[O-])C3)s2)cs1 Cc1nc(cs1)[*:1] O=C([O-])[C@@H]1CN(CC[NH2+]1)S(=O)(=O)c1ccc(s1)[*:1]
Cc1nc(-c2ccc(S(=O)(=O)N3CC[NH2+][C@H](C(=O)[O-])C3)s2)cs1 O=C([O-])[*:1] Cc1nc(cs1)-c1ccc(s1)S(=O)(=O)N1CC[NH2+][C@H](C1)[*:1]
CS(=O)(=O)N1CCC[C@@H](COc2ccc(CC#N)cc2)C1 N#CC[*:1] CS(=O)(=O)N1CCC[C@@H](COc2ccc(cc2)[*:1])C1
Cc1cnn(CCC(=O)NNC(=O)c2cccc(N(C)C)c2)c1 CN(C)[*:1] Cc1cnn(c1)CCC(=O)NNC(=O)c1cccc(c1)[*:1]
Cc1cnn(CCC(=O)NNC(=O)c2cccc(N(C)C)c2)c1 Cc1cnn(c1)[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)CC[*:1]
Cc1cnn(CCC(=O)NNC(=O)c2cccc(N(C)C)c2)c1 Cc1cnn(c1)C[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)C[*:1]
CC(C)=C[C@H]1[C@H](C(=O)NCc2cn3cc(C)ccc3[nH+]2)C1(C)C CC(C)=C[*:1] Cc1ccc2[nH+]c(cn2c1)CNC(=O)[C@H]1[C@@H](C1(C)C)[*:1]
COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3ccc4ccccc4n3)c2)c1 COc1ccc(OC)c(c1)[*:1] O=S(=O)(Nc1cccc(c1)-c1ccc2ccccc2n1)[*:1]
COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3ccc4ccccc4n3)c2)c1 c1ccc2nc(ccc2c1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)Nc1cccc(c1)[*:1]
O=C(N/N=C\c1ccnc2ccccc12)c1ccccc1O Oc1ccccc1[*:1] O=C(N/N=C\c1ccnc2ccccc12)[*:1]
COc1ccc(CN2CCOC[C@H]2C(N)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CN1CCOC[C@H]1C(N)=O
COc1ccc(CN2CCOC[C@H]2C(N)=O)cc1[N+](=O)[O-] NC(=O)[*:1] COc1ccc(cc1[N+](=O)[O-])CN1CCOC[C@@H]1[*:1]
C[C@H](C(=O)NCc1cccc(N2CCCC2=O)c1)S(C)(=O)=O O=C1CCCN1[*:1] C[C@H](C(=O)NCc1cccc(c1)[*:1])S(C)(=O)=O
C[C@H](C(=O)NCc1cccc(N2CCCC2=O)c1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](C(=O)NCc1cccc(c1)N1CCCC1=O)[*:1]
C=CC(=O)NCCNC(=O)c1cc2c(C(C)C)nn(C)c2s1 C=CC(=O)NCC[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N[*:1]
C=CC(=O)NCCNC(=O)c1cc2c(C(C)C)nn(C)c2s1 CC(C)[*:1] C=CC(=O)NCCNC(=O)c1cc2c(nn(C)c2s1)[*:1]
C=CC(=O)NCCNC(=O)c1cc2c(C(C)C)nn(C)c2s1 C=CC(=O)N[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)NCC[*:1]
C=CC(=O)NCCNC(=O)c1cc2c(C(C)C)nn(C)c2s1 C=CC(=O)NC[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)NC[*:1]
Cc1ccc(-c2nnc(-c3ccc(N4CCC(C)CC4)nc3)o2)cc1 Cc1ccc(cc1)[*:1] CC1CCN(CC1)c1ccc(cn1)-c1nnc(o1)[*:1]
Cc1ccc(-c2nnc(-c3ccc(N4CCC(C)CC4)nc3)o2)cc1 CC1CCN(CC1)[*:1] Cc1ccc(cc1)-c1nnc(o1)-c1ccc(nc1)[*:1]
Cc1ccc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(OCC2CC2)c1 C1CC1CO[*:1] Cc1ccc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(c1)[*:1]
Cc1ccc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(OCC2CC2)c1 C1CC1C[*:1] Cc1ccc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(c1)O[*:1]
Cc1ccc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(OCC2CC2)c1 C1CC1[*:1] Cc1ccc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(c1)OC[*:1]
COCCCNC(=O)c1ccc(-n2ccnn2)cc1 COCCC[*:1] O=C(N[*:1])c1ccc(cc1)-n1ccnn1
COCCCNC(=O)c1ccc(-n2ccnn2)cc1 COCC[*:1] O=C(NC[*:1])c1ccc(cc1)-n1ccnn1
COCCCNC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] COCCCNC(=O)c1ccc(cc1)[*:1]
COCCCNC(=O)c1ccc(-n2ccnn2)cc1 COC[*:1] O=C(NCC[*:1])c1ccc(cc1)-n1ccnn1
C[C@H]1[NH2+]CC[C@H]1c1nc(CSc2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H]1[NH2+]CC[C@H]1c1nc(CS[*:1])no1
CC[S@](=O)CC(=O)NCc1ccco1 CC[S@](=O)[*:1] O=C(C[*:1])NCc1ccco1
COc1ccc(NC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1ccc2[nH]c3c(=O)n(cnc3c2c1)CCC(=O)N[*:1]
CCS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1 CCS(=O)(=O)N[*:1] O=C(NC1CCCCC1)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
CCS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1 C1CCC(CC1)[*:1] CCS(=O)(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1 O=C(NC1CCCCC1)[*:1] CCS(=O)(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)[*:1]
C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N[C@H](C)c1ccc(F)cc1 C1CO[C@@H](C1)[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[*:1])C(=O)N[C@H](C)c1ccc(F)cc1
C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N[C@H](C)c1ccc(F)cc1 C1CO[C@@H](C1)C[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1[*:1])C(=O)N[C@H](C)c1ccc(F)cc1
C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N[C@H](C)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N[*:1]
C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N[C@H](C)[*:1]
CCCCc1nnc(NC(=O)N(C)Cc2[nH+]ccn2C)s1 CCCC[*:1] CN(Cc1[nH+]ccn1C)C(=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)N(C)Cc2[nH+]ccn2C)s1 CCC[*:1] CN(Cc1[nH+]ccn1C)C(=O)Nc1nnc(C[*:1])s1
Cc1ncc([N+](=O)[O-])n1CCOC(=O)/C=C\c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ncc(n1CCOC(=O)C=C[*:1])[N+](=O)[O-]
Cc1ncc([N+](=O)[O-])n1CCOC(=O)/C=C\c1cccc(F)c1 O=[N+]([O-])[*:1] Cc1ncc(n1CCOC(=O)/C=C\c1cccc(F)c1)[*:1]
C[C@H]1CCC[C@@H](C[NH2+][C@@H]2CCN(c3ccccn3)C2)C1 c1ccc(nc1)[*:1] C[C@H]1CCC[C@@H](C[NH2+][C@@H]2CCN(C2)[*:1])C1
COCCOCCN1CCC[C@@H]1c1nc2ccccc2s1 COCCOC[*:1] c1ccc2sc(nc2c1)[C@H]1CCCN1C[*:1]
COCCOCCN1CCC[C@@H]1c1nc2ccccc2s1 COCCOCC[*:1] c1ccc2sc(nc2c1)[C@H]1CCCN1[*:1]
COCCOCCN1CCC[C@@H]1c1nc2ccccc2s1 COCC[*:1] c1ccc2sc(nc2c1)[C@H]1CCCN1CCO[*:1]
COCCOCCN1CCC[C@@H]1c1nc2ccccc2s1 COCCO[*:1] c1ccc2sc(nc2c1)[C@H]1CCCN1CC[*:1]
COCCOCCN1CCC[C@@H]1c1nc2ccccc2s1 COC[*:1] c1ccc2sc(nc2c1)[C@H]1CCCN1CCOC[*:1]
Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)c1 Clc1ccc(C[*:1])c(Cl)c1 Cc1cc(C)cc(c1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)Cc1ccc(Cl)cc1Cl
Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)c1 Clc1ccc(c(Cl)c1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
CCOc1ccc(-c2cc3n(C)c4ccccc4n3c2)cc1[N+](=O)[O-] CCO[*:1] Cn1c2ccccc2n2cc(cc12)-c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCOc1ccc(-c2cc3n(C)c4ccccc4n3c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])-c1cc2n(C)c3ccccc3n2c1
CC(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])N[*:1]
CC(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)NC(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1ccc(O)cc1 CC[C@@H](C)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)c1ccc(O)cc1
COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC c1ccc2oc(cc2c1)[*:1] COc1ccc(cc1OC)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1cc(C)on1
COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC O=C(c1cc2ccccc2o1)[*:1] COc1ccc(cc1OC)[C@@H]1C(=C([O-])C(=O)N1c1cc(C)on1)[*:1]
COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC Cc1cc(no1)[*:1] COc1ccc(cc1OC)[C@@H]1C(C(=O)c2cc3ccccc3o2)=C([O-])C(=O)N1[*:1]
COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2cc3ccccc3o2)[C@H]1[*:1]
COCCn1ccc2cc(C(=O)N[C@H](C)c3nnc4ccccn34)ccc21 c1ccn2c(nnc2c1)[*:1] COCCn1ccc2cc(ccc21)C(=O)N[C@H](C)[*:1]
COCCn1ccc2cc(C(=O)N[C@H](C)c3nnc4ccccn34)ccc21 COC[*:1] C[C@@H](NC(=O)c1ccc2c(ccn2C[*:1])c1)c1nnc2ccccn12
COCCn1ccc2cc(C(=O)N[C@H](C)c3nnc4ccccn34)ccc21 COCC[*:1] C[C@@H](NC(=O)c1ccc2c(ccn2[*:1])c1)c1nnc2ccccn12
C[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1F Fc1ccccc1[*:1] C[NH+](Cc1ccc(c(F)c1)[N+](=O)[O-])C[*:1]
C[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1F O=[N+]([O-])[*:1] C[NH+](Cc1ccc(c(F)c1)[*:1])Cc1ccccc1F
CCCC[C@H]1C=CCN1C(=O)Cc1n[nH]c(=O)[nH]1 CCC[*:1] O=C(Cc1n[nH]c(=O)[nH]1)N1CC=C[C@@H]1C[*:1]
CCCC[C@H]1C=CCN1C(=O)Cc1n[nH]c(=O)[nH]1 O=c1[nH]nc([nH]1)[*:1] CCCC[C@H]1C=CCN1C(=O)C[*:1]
CCCC[C@H]1C=CCN1C(=O)Cc1n[nH]c(=O)[nH]1 CCCC[*:1] O=C(Cc1n[nH]c(=O)[nH]1)N1CC=C[C@@H]1[*:1]
COc1cc2c(cc1NC(=O)c1ccc(=O)n(C)n1)oc1ccccc12 Cn1nc(ccc1=O)[*:1] COc1cc2c(cc1NC(=O)[*:1])oc1ccccc12
C[C@@H](NC(=O)NCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NCc1cc(Cl)c2OCCOc2c1)[*:1]
C[C@@H](NC(=O)NCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NCc1cc(Cl)c2OCCOc2c1)N[*:1]
COc1cc(C)c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N[C@H]2CCS(=O)(=O)C2)cc1C O=S1(=O)CC[C@@H](C1)N[*:1] COc1cc(C)c(cc1C)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1[*:1]
COc1cc(C)c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N[C@H]2CCS(=O)(=O)C2)cc1C O=S1(=O)CC[C@@H](C1)[*:1] COc1cc(C)c(cc1C)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N[*:1]
CCCc1cc2c(c(=O)n1CC)[C@@H](c1ccc(F)cc1)C(C(=O)OC)=C(N)O2 COC(=O)[*:1] CCCc1cc2OC(N)=C([C@H](c3ccc(F)cc3)c2c(=O)n1CC)[*:1]
CCCc1cc2c(c(=O)n1CC)[C@@H](c1ccc(F)cc1)C(C(=O)OC)=C(N)O2 CCC[*:1] CCn1c(cc2OC(N)=C(C(=O)OC)[C@H](c3ccc(F)cc3)c2c1=O)[*:1]
CCCc1cc2c(c(=O)n1CC)[C@@H](c1ccc(F)cc1)C(C(=O)OC)=C(N)O2 Fc1ccc(cc1)[*:1] CCCc1cc2OC(N)=C(C(=O)OC)[C@H](c2c(=O)n1CC)[*:1]
C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cc2ccccc2o1 Cc1cccc(c1)[*:1] C=CCn1c(nnc1-c1cc2ccccc2o1)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1cccc(C)c1
C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cc2ccccc2o1 C=CC[*:1] Cc1cccc(c1)NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1[*:1]
CC(=O)N1CCNC[C@@H]1c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CC(=O)N1CCNC[C@@H]1c1ccc(cc1)[*:1]
NC(=O)c1c(NC(=O)COC(=O)C2CCC2)sc2c1CCC2 O=C(O[*:1])C1CCC1 NC(=O)c1c(NC(=O)C[*:1])sc2CCCc21
NC(=O)c1c(NC(=O)COC(=O)C2CCC2)sc2c1CCC2 NC(=O)[*:1] O=C(COC(=O)C1CCC1)Nc1sc2CCCc2c1[*:1]
NC(=O)c1c(NC(=O)COC(=O)C2CCC2)sc2c1CCC2 C1CC(C1)[*:1] NC(=O)c1c(NC(=O)COC(=O)[*:1])sc2CCCc21
O=C(C[C@@H]1NC(=O)NC1=O)NC1(C(=O)NC2CCCC2)CCCCC1 C1CCC(C1)[*:1] O=C(C[C@@H]1NC(=O)NC1=O)NC1(CCCCC1)C(=O)N[*:1]
O=C(C[C@@H]1NC(=O)NC1=O)NC1(C(=O)NC2CCCC2)CCCCC1 O=C(NC1CCCC1)[*:1] O=C(C[C@@H]1NC(=O)NC1=O)NC1(CCCCC1)[*:1]
CC(C)(C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C(C)(C)[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=NCCS2)CC1 CC(C)(C)[*:1] O=C(NC1=NCCS1)C1CCN(CC1)C(=O)O[*:1]
Cc1csc2[nH+]c(CN3CCN([C@H](C)c4ccccc4Cl)CC3)cc(=O)n12 Clc1ccccc1[*:1] Cc1csc2[nH+]c(cc(=O)n12)CN1CCN(CC1)[C@H](C)[*:1]
Cc1csc2[nH+]c(CN3CCN([C@H](C)c4ccccc4Cl)CC3)cc(=O)n12 C[C@H](c1ccccc1Cl)[*:1] Cc1csc2[nH+]c(cc(=O)n12)CN1CCN(CC1)[*:1]
CC(C)[C@H](CO)NC(=O)c1cc(N)n[nH]1 CC(C)[*:1] Nc1cc([nH]n1)C(=O)N[C@@H](CO)[*:1]
CCN(CC(C)(C)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F CC(C)(O)C[*:1] CCN(S(=O)(=O)c1ccc(cc1F)[N+](=O)[O-])[*:1]
CCN(CC(C)(C)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] CCN(CC(C)(C)O)S(=O)(=O)c1ccc(cc1F)[*:1]
CCN(CC(C)(C)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F CC(C)(O)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(cc1F)[N+](=O)[O-]
CCOc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)ccc1O O=C(Nc1ccccc1)[*:1] CCOc1cc(ccc1O)[C@H]1C(=C(C)Nc2nnnn21)[*:1]
CCOc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)ccc1O c1ccc(cc1)[*:1] CCOc1cc(ccc1O)[C@H]1C(C(=O)N[*:1])=C(C)Nc2nnnn21
CCOc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)ccc1O CCO[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)Nc1ccccc1)c1ccc(O)c(c1)[*:1]
Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1nnc(o1)[*:1]
Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccccc1OCC(=O)N[C@@H](c1nnc(o1)-c1ccccc1)[*:1]
Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 Cc1ccccc1OC[*:1] O=C(N[C@@H](c1ccccc1)c1nnc(o1)-c1ccccc1)[*:1]
Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 Cc1ccccc1[*:1] O=C(CO[*:1])N[C@@H](c1ccccc1)c1nnc(o1)-c1ccccc1
Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 Cc1ccccc1O[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)c1nnc(o1)-c1ccccc1
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 CC(C)[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccccn1)c1nc2ccc(F)cc2s1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 CC(C)N(C)S(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccccn1)c1nc2ccc(F)cc2s1
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 Fc1ccc2nc(sc2c1)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccccn1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 c1ccc(nc1)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)C(=O)N(C[*:1])c1nc2ccc(F)cc2s1
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 c1ccc(C[*:1])nc1 CC(C)N(C)S(=O)(=O)c1ccc(cc1)C(=O)N(c1nc2ccc(F)cc2s1)[*:1]
N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1)[*:1]
N#C[C@H](C(=O)/C=C/c1ccc(Cl)cc1)c1ccc(F)cn1 Clc1ccc(cc1)[*:1] N#C[C@H](C(=O)C=C[*:1])c1ccc(F)cn1
Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1sc(nc1C(=O)NCc1ccc(cc1)[*:1])-c1ccco1
Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(C(N)=O)cc1 c1coc(c1)[*:1] Cc1sc(nc1C(=O)NCc1ccc(cc1)C(N)=O)[*:1]
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc(OC)c(OC)c3)C2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CCNC(=O)COc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] CCNC(=O)COc1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
CCNC(=O)COc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 CCNC(=O)C[*:1] C[C@H](NC(=O)Nc1ccc(cc1)O[*:1])c1ccc(Cl)cc1Cl
CCNC(=O)COc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 CCNC(=O)CO[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1Cl
CCNC(=O)COc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 CCNC(=O)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)OC[*:1])c1ccc(Cl)cc1Cl
CNC(=O)c1ccc(CNC(=O)c2ccc(F)cc2)cc1 CNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(F)cc1
CNC(=O)c1ccc(CNC(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)CNC(=O)[*:1]
COc1ccc2c(C)cc(SCC(=O)Nc3c(C)cccc3C)nc2c1 Cc1cccc(C)c1[*:1] COc1ccc2c(C)cc(nc2c1)SCC(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(Cc3cccnc3)C3CC3)C2)s1 c1cncc(c1)C[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N(C1CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(Cc3cccnc3)C3CC3)C2)s1 C1CC1[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N(Cc1cccnc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(Cc3cccnc3)C3CC3)C2)s1 Cc1ccc(s1)[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)[*:1])N(Cc1cccnc1)C1CC1
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(Cc3cccnc3)C3CC3)C2)s1 c1cncc(c1)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N(C[*:1])C1CC1
Cc1cc(CNc2ccc(Oc3ccccc3)cc2)no1 c1ccc(cc1)O[*:1] Cc1cc(CNc2ccc(cc2)[*:1])no1
Cc1cc(CNc2ccc(Oc3ccccc3)cc2)no1 Cc1cc(C[*:1])no1 c1ccc(cc1)Oc1ccc(cc1)N[*:1]
Cc1cc(CNc2ccc(Oc3ccccc3)cc2)no1 Cc1cc(no1)[*:1] c1ccc(cc1)Oc1ccc(cc1)NC[*:1]
Cc1cc(CNc2ccc(Oc3ccccc3)cc2)no1 c1ccc(cc1)[*:1] Cc1cc(CNc2ccc(cc2)O[*:1])no1
CC[C@@H](O)Cn1nc(C)nc1CSc1ncccn1 CC[C@@H](O)[*:1] Cc1nc(CSc2ncccn2)n(C[*:1])n1
CC[C@@H](O)Cn1nc(C)nc1CSc1ncccn1 CC[C@@H](O)C[*:1] Cc1nc(CSc2ncccn2)n(n1)[*:1]
CC[C@@H](O)Cn1nc(C)nc1CSc1ncccn1 c1cnc(nc1)[*:1] CC[C@@H](O)Cn1nc(C)nc1CS[*:1]
CCCCCC[C@H](C)[C@@](C)(O)C(=O)[O-] CCC[*:1] C[C@@H](CCC[*:1])[C@@](C)(O)C(=O)[O-]
CCCCCC[C@H](C)[C@@](C)(O)C(=O)[O-] CCCC[*:1] C[C@@H](CC[*:1])[C@@](C)(O)C(=O)[O-]
CCCCCC[C@H](C)[C@@](C)(O)C(=O)[O-] O=C([O-])[*:1] CCCCCC[C@H](C)[C@@](C)(O)[*:1]
CC[NH2+][C@@H](c1cccnc1)[C@@H]1CCOC2(CCCCC2)C1 c1cncc(c1)[*:1] CC[NH2+][C@@H]([C@@H]1CCOC2(CCCCC2)C1)[*:1]
CC(=O)Nc1ccc(C)cc1NCC(=O)Nc1cc(C)nn1C CC(=O)N[*:1] Cc1ccc(c(c1)NCC(=O)Nc1cc(C)nn1C)[*:1]
CC(=O)Nc1ccc(C)cc1NCC(=O)Nc1cc(C)nn1C Cc1cc(n(C)n1)[*:1] CC(=O)Nc1ccc(C)cc1NCC(=O)N[*:1]
C[C@@H](OC(=O)c1ccc(CC#N)cc1)c1nc2ccc(Cl)cc2n1C N#CC[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])c1nc2ccc(Cl)cc2n1C
COc1cccc(C/C([O-])=N/S(=O)(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)C/C([O-])=N/S(=O)(=O)[*:1]
COc1cccc(C/C([O-])=N/S(=O)(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C/C([O-])=N/S(=O)(=O)C[*:1]
CCN1C[C@H](CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)Oc2ccccc21 CN(C)S(=O)(=O)[*:1] CCN1C[C@H](CN(C)C(=O)c2cc(ccc2N2CCCC2)[*:1])Oc2ccccc21
CCN1C[C@H](CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)Oc2ccccc21 C1CCN(C1)[*:1] CCN1C[C@H](CN(C)C(=O)c2cc(ccc2[*:1])S(=O)(=O)N(C)C)Oc2ccccc21
CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(I)c1OCC CCO[*:1] CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(I)c1[*:1]
CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(I)c1OCC CCO[*:1] CCOc1c(I)cc(/C=C2\NC(=S)N(CC)C2=O)cc1[*:1]
CC(C)(C)n1cc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)[*:1])N1CCC[C@H]2CCC[C@H]21
Cc1cccc(N2CCN(C(=O)c3ccc(-n4ccc(C)n4)nc3)CC2)c1 Cc1cccc(c1)[*:1] Cc1ccn(n1)-c1ccc(cn1)C(=O)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(C(=O)c3ccc(-n4ccc(C)n4)nc3)CC2)c1 Cc1ccn(n1)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(nc1)[*:1]
CC(C)[NH2+]CCCc1nc([C@@H]2CN(C(C)C)CCO2)no1 CC(C)[*:1] CC(C)[NH2+]CCCc1nc(no1)[C@@H]1CN(CCO1)[*:1]
CC(C)[NH2+]CCCc1nc([C@@H]2CN(C(C)C)CCO2)no1 CC(C)[*:1] CC(C)N1CCO[C@@H](C1)c1noc(CCC[NH2+][*:1])n1
CC(C)[NH2+]CCCc1nc([C@@H]2CN(C(C)C)CCO2)no1 CC(C)[NH2+]CCC[*:1] CC(C)N1CCO[C@@H](C1)c1noc(n1)[*:1]
Cc1cccc([C@H](C(=O)NCCCn2cc(Cl)cn2)N(C)C)c1 Clc1cnn(c1)[*:1] Cc1cccc(c1)[C@H](C(=O)NCCC[*:1])N(C)C
Cc1cccc([C@H](C(=O)NCCCn2cc(Cl)cn2)N(C)C)c1 Cc1cccc(c1)[*:1] CN(C)[C@@H](C(=O)NCCCn1cc(Cl)cn1)[*:1]
Cc1cccc([C@H](C(=O)NCCCn2cc(Cl)cn2)N(C)C)c1 Clc1cnn(c1)C[*:1] Cc1cccc(c1)[C@H](C(=O)NCC[*:1])N(C)C
Cc1cccc([C@H](C(=O)NCCCn2cc(Cl)cn2)N(C)C)c1 CN(C)[*:1] Cc1cccc(c1)[C@H](C(=O)NCCCn1cc(Cl)cn1)[*:1]
COc1ccc(OC)c([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)c1 COc1ccc(OC)c(c1)[*:1] N#Cc1c(sc2CCCCCc21)N1C(=O)C[C@H](C2C(=O)CCCC=21)[*:1]
COc1ccccc1[C@H]([NH2+]Cc1cnn(C)c1C)C1CCCC1 C1CCC(C1)[*:1] COc1ccccc1[C@H]([NH2+]Cc1cnn(C)c1C)[*:1]
COc1ccccc1[C@H]([NH2+]Cc1cnn(C)c1C)C1CCCC1 Cc1c(cnn1C)[*:1] COc1ccccc1[C@H]([NH2+]C[*:1])C1CCCC1
Cc1cncc(C(=O)N2CCC[C@H]2[C@@H]2CCC[C@@H]2O)c1 O[C@H]1CCC[C@H]1[*:1] Cc1cncc(c1)C(=O)N1CCC[C@@H]1[*:1]
C[C@H](Nc1nc2c(N)cccc2o1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](Nc1nc2c(N)cccc2o1)[*:1]
CCOc1ccc2c(c1)C=C(C(=O)N[C@@H](C)c1cnn(C)c1C)CO2 Cc1c(cnn1C)[*:1] CCOc1ccc2OCC(=Cc2c1)C(=O)N[C@@H](C)[*:1]
CCOc1ccc2c(c1)C=C(C(=O)N[C@@H](C)c1cnn(C)c1C)CO2 CCO[*:1] Cc1c(cnn1C)[C@H](C)NC(=O)C1=Cc2cc(ccc2OC1)[*:1]
CCC1(CNC(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])Nc1cccn(Cc2ccccc2)c1=O
CCC1(CNC(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 CCC1(CC1)C[*:1] O=C(Nc1cccn(Cc2ccccc2)c1=O)N[*:1]
CCC1(CNC(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 c1ccc(cc1)C[*:1] CCC1(CC1)CNC(=O)Nc1cccn(c1=O)[*:1]
CCC1(CNC(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 c1ccc(cc1)[*:1] CCC1(CC1)CNC(=O)Nc1cccn(C[*:1])c1=O
Cc1ccc(-c2cc(C(=O)NCc3sc(C(C)C)nc3C)[nH]n2)s1 CC(C)[*:1] Cc1ccc(s1)-c1cc([nH]n1)C(=O)NCc1sc(nc1C)[*:1]
Cc1ccc(-c2cc(C(=O)NCc3sc(C(C)C)nc3C)[nH]n2)s1 Cc1ccc(s1)[*:1] Cc1nc(sc1CNC(=O)c1cc(n[nH]1)[*:1])C(C)C
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)OCCCO2 O=C([O-])[*:1] O=S(=O)([N-]c1cc2OCCCOc2cc1[*:1])c1cc(Cl)ccc1Cl
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)OCCCO2 Clc1ccc(Cl)c(c1)[*:1] O=C([O-])c1cc2OCCCOc2cc1[N-]S(=O)(=O)[*:1]
C[C@H]1CC(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)C[C@H](C)O1 O=C(NC1CCCC1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1CC(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)C[C@H](C)O1 C1CCC(C1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC1(C)CCCC[C@H]1NC(=O)c1scnc1C1CC1 C1CC1[*:1] CC1(C)CCCC[C@H]1NC(=O)c1scnc1[*:1]
CC[C@@]1(C)CN(Cc2cccnc2)c2ccccc2C[NH2+]1 c1cncc(c1)C[*:1] CC[C@@]1(C)CN(c2ccccc2C[NH2+]1)[*:1]
CC[C@@]1(C)CN(Cc2cccnc2)c2ccccc2C[NH2+]1 c1cncc(c1)[*:1] CC[C@@]1(C)CN(C[*:1])c2ccccc2C[NH2+]1
O=C([O-])/C=C/CC(=O)Nc1cccc(Oc2ncccn2)c1 c1cnc(nc1)[*:1] O=C([O-])/C=C/CC(=O)Nc1cccc(c1)O[*:1]
O=C([O-])/C=C/CC(=O)Nc1cccc(Oc2ncccn2)c1 c1cnc(nc1)O[*:1] O=C([O-])/C=C/CC(=O)Nc1cccc(c1)[*:1]
O=C([O-])/C=C/CC(=O)Nc1cccc(Oc2ncccn2)c1 O=C([O-])[*:1] O=C(CC=C[*:1])Nc1cccc(c1)Oc1ncccn1
O=C(CN(Cc1csc2[n+]1CCCN2)C[C@@H]1CCCO1)N1CCCC1 C1CO[C@@H](C1)C[*:1] O=C(CN(Cc1csc2NCCC[n+]12)[*:1])N1CCCC1
O=C(CN(Cc1csc2[n+]1CCCN2)C[C@@H]1CCCO1)N1CCCC1 C1CO[C@@H](C1)[*:1] O=C(CN(Cc1csc2NCCC[n+]12)C[*:1])N1CCCC1
O=C(CN(Cc1csc2[n+]1CCCN2)C[C@@H]1CCCO1)N1CCCC1 O=C(C[*:1])N1CCCC1 c1sc2NCCC[n+]2c1CN(C[C@@H]1CCCO1)[*:1]
O=C(CN(Cc1csc2[n+]1CCCN2)C[C@@H]1CCCO1)N1CCCC1 O=C(N1CCCC1)[*:1] c1sc2NCCC[n+]2c1CN(C[C@@H]1CCCO1)C[*:1]
CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC(O)CC3)cc2C1 CC(C)(C)[*:1] O=C(c1cc2C[C@H](CCc2s1)[*:1])N1CCC(O)CC1
Cc1ccn2c(CN3CCN(c4nccnc4C#N)C[C@@H]3C)cnc2c1 N#Cc1nccnc1[*:1] Cc1ccn2c(cnc2c1)CN1CCN(C[C@@H]1C)[*:1]
CCCC[C@H](C(=O)OC)[C@H](O)C(=O)[O-] CCCC[*:1] COC(=O)[C@H]([C@H](O)C(=O)[O-])[*:1]
CCCC[C@H](C(=O)OC)[C@H](O)C(=O)[O-] COC(=O)[*:1] CCCC[C@H]([C@H](O)C(=O)[O-])[*:1]
CCCC[C@H](C(=O)OC)[C@H](O)C(=O)[O-] CCC[*:1] COC(=O)[C@@H](C[*:1])[C@H](O)C(=O)[O-]
CCCC[C@H](C(=O)OC)[C@H](O)C(=O)[O-] O=C([O-])[*:1] CCCC[C@H](C(=O)OC)[C@H](O)[*:1]
CC[NH+]1CCN(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CC1 FC(F)(F)[*:1] CC[NH+]1CCN(CC1)CC(=O)Nc1c(Cl)cccc1[*:1]
C[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 C[C@@H]1CCC[C@@H](C1)[*:1] C[C@@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
C[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 O=[N+]([O-])[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)[C@@H](C)Sc1ccc(cc1)[*:1]
C[C@@H]([NH3+])Cc1ccc(OCC2(CC#N)CC2)cn1 N#CC[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)OCC1(CC1)[*:1]
C[C@@H]([NH3+])Cc1ccc(OCC2(CC#N)CC2)cn1 N#CCC1(CC1)[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)OC[*:1]
C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[NH2+]1 FC(F)(F)[*:1] C[C@@H]1CN(CC[NH2+]1)C(=O)c1cc(cc(c1)[*:1])C(F)(F)F
Cc1[nH+]c(N[C@H]2CCN(C(=O)C3CCCC3)C2)ccc1I C1CCC(C1)[*:1] Cc1[nH+]c(ccc1I)N[C@H]1CCN(C1)C(=O)[*:1]
C[C@H]1CCC[C@@H](OC(=O)C2(c3ccccc3)CCOCC2)C1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C1)OC(=O)C1(CCOCC1)[*:1]
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1nc(cs1)[*:1]
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)C[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\Nc1nc(cs1)-c1ccccc1)[*:1]
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] CC1=C(C#N)C(=O)N(C[*:1])C(=O)/C1=C\Nc1nc(cs1)-c1ccccc1
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1cccs1 c1csc(c1)[*:1] CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)[*:1]
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1cccs1 CCO[*:1] CC1=CC(C)(C)N(C(=O)c2cccs2)c2ccc(cc21)[*:1]
CCCS(=O)(=O)NC[C@H](O)C[NH+](C)C CCC[*:1] C[NH+](C)C[C@@H](O)CNS(=O)(=O)[*:1]
COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(C)cc1)CC2 Cc1ccc(cc1)[*:1] COc1cc2CCN(C(=O)[*:1])[C@@H](C)c2cc1OC
COCc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 COC[*:1] O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(cc1)[*:1]
COCc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 Fc1cc(ccc1Cl)[*:1] COCc1ccc(cc1)C(=O)N[C@H]1CCO[C@@H]1[*:1]
C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C1CCSCC1 C1CC(CCS1)[*:1] C[C@H]1[C@@H](OC[C@@H](C)N1[*:1])c1ccccc1
C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C1CCSCC1 c1ccc(cc1)[*:1] C[C@H]1[C@H](OC[C@@H](C)N1C1CCSCC1)[*:1]
N#CCCN(CC1=NS(=O)(=O)c2ccccc2N1)CC1CC1 N#CCC[*:1] O=S1(=O)N=C(CN(CC2CC2)[*:1])Nc2ccccc21
N#CCCN(CC1=NS(=O)(=O)c2ccccc2N1)CC1CC1 C1CC1C[*:1] N#CCCN(CC1=NS(=O)(=O)c2ccccc2N1)[*:1]
N#CCCN(CC1=NS(=O)(=O)c2ccccc2N1)CC1CC1 C1CC1[*:1] N#CCCN(CC1=NS(=O)(=O)c2ccccc2N1)C[*:1]
N#CCCN(CC1=NS(=O)(=O)c2ccccc2N1)CC1CC1 N#CC[*:1] O=S1(=O)N=C(CN(CC2CC2)C[*:1])Nc2ccccc21
CC(C)COc1ncc(CNC(=O)[C@@H]2CNC(=O)C2)cc1Cl CC(C)CO[*:1] O=C1C[C@@H](CN1)C(=O)NCc1cnc(c(Cl)c1)[*:1]
CC(C)COc1ncc(CNC(=O)[C@@H]2CNC(=O)C2)cc1Cl CC(C)[*:1] O=C1C[C@@H](CN1)C(=O)NCc1cnc(OC[*:1])c(Cl)c1
CC(C)COc1ncc(CNC(=O)[C@@H]2CNC(=O)C2)cc1Cl CC(C)C[*:1] O=C1C[C@@H](CN1)C(=O)NCc1cnc(O[*:1])c(Cl)c1
CC(C)COC(=O)N1CCCN(C(=O)CCc2cccc(F)c2)CC1 CC(C)[*:1] O=C(CCc1cccc(F)c1)N1CCCN(CC1)C(=O)OC[*:1]
CC(C)COC(=O)N1CCCN(C(=O)CCc2cccc(F)c2)CC1 CC(C)C[*:1] O=C(CCc1cccc(F)c1)N1CCCN(CC1)C(=O)O[*:1]
CC(C)COC(=O)N1CCCN(C(=O)CCc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] CC(C)COC(=O)N1CCCN(CC1)C(=O)C[*:1]
CC(C)COC(=O)N1CCCN(C(=O)CCc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)COC(=O)N1CCCN(CC1)C(=O)CC[*:1]
O=C([C@H]1COCCO1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C([C@H]1COCCO1)N(CC1CC1)c1ccc(Cl)c(c1)[*:1]
O=C([C@H]1COCCO1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 C1CC1C[*:1] O=C([C@H]1COCCO1)N(c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
O=C([C@H]1COCCO1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 C1CC1[*:1] O=C([C@H]1COCCO1)N(C[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
CC(C)C[C@H](CO)NC(=O)c1nc2ccccc2c(=O)[nH]1 CC(C)C[*:1] O=C(N[C@@H](CO)[*:1])c1nc2ccccc2c(=O)[nH]1
CC(C)C[C@H](CO)NC(=O)c1nc2ccccc2c(=O)[nH]1 CC(C)[*:1] O=C(N[C@@H](CO)C[*:1])c1nc2ccccc2c(=O)[nH]1
CC(C)C[C@H](CO)NC(=O)c1nc2ccccc2c(=O)[nH]1 CC(C)C[C@H](CO)[*:1] O=C(N[*:1])c1nc2ccccc2c(=O)[nH]1
O=C([C@H]1CC(=O)N(C2CCCCCCC2)C1)N1CCC2(CC1)OCCO2 C1CCCC(CCC1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC2(CC1)OCCO2
CC(C)Cc1ccc(C(=O)CSc2nncs2)cc1 CC(C)C[*:1] O=C(CSc1nncs1)c1ccc(cc1)[*:1]
CC(C)Cc1ccc(C(=O)CSc2nncs2)cc1 CC(C)[*:1] O=C(CSc1nncs1)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc(C(=O)CSc2nncs2)cc1 c1nnc(s1)[*:1] CC(C)Cc1ccc(cc1)C(=O)CS[*:1]
CC(C)Cc1ccc(C(=O)CSc2nncs2)cc1 c1nnc(S[*:1])s1 CC(C)Cc1ccc(cc1)C(=O)C[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1ccc(F)cc1F
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NCC(F)(F)F FC(F)(F)[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NC[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)N[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NCC(F)(F)F O=C(C[*:1])NCC(F)(F)F O=c1c2ccccc2nc(S[*:1])n1-c1ccc(F)cc1F
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NCC(F)(F)F Fc1ccc(c(F)c1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])NCC(F)(F)F
Cc1n[nH]c(C)c1CCOC(=O)[C@@H](C)c1ccccc1F Fc1ccccc1[*:1] Cc1n[nH]c(C)c1CCOC(=O)[C@@H](C)[*:1]
Cc1n[nH]c(C)c1CCOC(=O)[C@@H](C)c1ccccc1F Cc1n[nH]c(C)c1[*:1] C[C@H](C(=O)OCC[*:1])c1ccccc1F
Brc1ccc2c(c1)[C@@H](NCc1nncn1C1CC1)CCO2 C1CC1[*:1] Brc1ccc2OCC[C@H](NCc3nncn3[*:1])c2c1
C#CCNCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 C#CC[*:1] O=C(CN[*:1])N[C@@H]1C[C@H]2CC[C@@H]1C2
C#CCNCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 C#CCN[*:1] O=C(C[*:1])N[C@@H]1C[C@H]2CC[C@@H]1C2
C#CCNCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 C#CCNC[*:1] O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)[*:1]
CCCC[C@@H](CC)CNC(=O)c1cccc(F)c1 CCCC[*:1] CC[C@@H](CNC(=O)c1cccc(F)c1)[*:1]
CCCC[C@@H](CC)CNC(=O)c1cccc(F)c1 CCC[*:1] CC[C@@H](CNC(=O)c1cccc(F)c1)C[*:1]
COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 COc1ccccc1[*:1] O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)N[*:1]
COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 c1cncc(c1)[*:1] COc1ccccc1NC(=O)C(=O)NC[C@@H](N1CCc2ccccc2C1)[*:1]
COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 c1ccc2CN(CCc2c1)[*:1] COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)[*:1]
N#Cc1ccc(-c2csc(NC(=O)c3ccc4nccn4c3)n2)cc1 N#Cc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc2nccn2c1
COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2COc3cc(OC)ccc3C2)cc1 COc1ccc(cc1)[*:1] COc1ccc2C[C@@H](COc2c1)[NH2+][C@H](C)CC(=O)N[*:1]
Cc1csc(CN(C)S(=O)(=O)c2cccc3ccc(C)nc23)n1 Cc1csc(n1)[*:1] Cc1ccc2cccc(c2n1)S(=O)(=O)N(C)C[*:1]
Cc1csc(CN(C)S(=O)(=O)c2cccc3ccc(C)nc23)n1 Cc1csc(C[*:1])n1 Cc1ccc2cccc(c2n1)S(=O)(=O)N(C)[*:1]
COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(CC(C)C)c4ncn3n2)cc1 CC(C)C[*:1] COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(c4ncn3n2)[*:1])cc1
COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(CC(C)C)c4ncn3n2)cc1 CC(C)[*:1] COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(C[*:1])c4ncn3n2)cc1
COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(CC(C)C)c4ncn3n2)cc1 COc1ccc(cc1)[*:1] Cc1c(C)n(CC(C)C)c2ncn3nc(CON=C[*:1])nc3c12
CS(=O)(=O)N1CCc2cc(C(=O)Nc3cc(Br)ccc3Br)ccc21 Brc1ccc(Br)c(c1)[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)N[*:1]
COC(=O)COc1cccc(NC(=O)[C@H]2CCO[C@H]2C)c1 COC(=O)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(c1)OC[*:1]
COC(=O)COc1cccc(NC(=O)[C@H]2CCO[C@H]2C)c1 COC(=O)CO[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
COC(=O)COc1cccc(NC(=O)[C@H]2CCO[C@H]2C)c1 COC(=O)C[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(c1)O[*:1]
Cc1ccoc1C(=O)Nc1cccc(COCc2ccco2)c1 c1coc(c1)CO[*:1] Cc1ccoc1C(=O)Nc1cccc(c1)C[*:1]
Cc1ccoc1C(=O)Nc1cccc(COCc2ccco2)c1 c1coc(c1)C[*:1] Cc1ccoc1C(=O)Nc1cccc(c1)CO[*:1]
Cc1ccoc1C(=O)Nc1cccc(COCc2ccco2)c1 Cc1ccoc1[*:1] O=C(Nc1cccc(c1)COCc1ccco1)[*:1]
Cc1ccoc1C(=O)Nc1cccc(COCc2ccco2)c1 c1coc(c1)[*:1] Cc1ccoc1C(=O)Nc1cccc(c1)COC[*:1]
O[C@@H](Cc1nc2ccccc2s1)c1ccsc1 c1cc(cs1)[*:1] O[C@@H](Cc1nc2ccccc2s1)[*:1]
Nc1ccc(C(=O)OC2CCCC2)cc1[N+](=O)[O-] C1CCC(C1)[*:1] Nc1ccc(cc1[N+](=O)[O-])C(=O)O[*:1]
Nc1ccc(C(=O)OC2CCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ccc(cc1[*:1])C(=O)OC1CCCC1
O=C([C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccccc1)N1CCOCC1 c1cc(ccn1)[*:1] O=C([C@H](Sc1nnc(n1-c1ccc(Cl)cc1)[*:1])c1ccccc1)N1CCOCC1
O=C([C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccccc1)N1CCOCC1 Clc1ccc(cc1)[*:1] O=C([C@H](Sc1nnc(-c2ccncc2)n1[*:1])c1ccccc1)N1CCOCC1
O=C([C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)[*:1])N1CCOCC1
O=C([C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccccc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] Clc1ccc(cc1)-n1c(nnc1-c1ccncc1)S[C@H](c1ccccc1)[*:1]
O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1nc(cs1)-c1ccc(F)cc1F)c1ccc(cc1)[*:1]
O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 Fc1ccc(c(F)c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCOCC1
Cc1ccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])nc3)C2=O)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)N1CC[C@H](Nc2ccc(nc2)[*:1])C1=O
Cc1ccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])nc3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1[C@H](CCN1[*:1])Nc1ccc(nc1)[N+](=O)[O-]
Cc1ccsc1CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 c1ccc(cc1)C[*:1] Cc1ccsc1CN(C)C(=O)[C@H](NC(=O)c1cccs1)[*:1]
Cc1ccsc1CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 c1csc(c1)[*:1] Cc1ccsc1CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[*:1]
Cc1ccsc1CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 Cc1ccsc1[*:1] CN(C[*:1])C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1
Cc1ccsc1CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 O=C(N[*:1])c1cccs1 Cc1ccsc1CN(C)C(=O)[C@H](Cc1ccccc1)[*:1]
Cc1ccsc1CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 c1ccc(cc1)[*:1] Cc1ccsc1CN(C)C(=O)[C@H](C[*:1])NC(=O)c1cccs1
Cc1ccsc1CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 Cc1ccsc1C[*:1] CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)[*:1]
C=CCN(CC(=O)[O-])C(=O)Nc1cccc(F)c1 O=C([O-])C[*:1] C=CCN(C(=O)Nc1cccc(F)c1)[*:1]
C=CCN(CC(=O)[O-])C(=O)Nc1cccc(F)c1 C=CC[*:1] O=C([O-])CN(C(=O)Nc1cccc(F)c1)[*:1]
C=CCN(CC(=O)[O-])C(=O)Nc1cccc(F)c1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)Nc1cccc(F)c1
C[C@@H]1CC[C@@](C(=O)[O-])([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 CS(=O)(=O)[*:1] C[C@@H]1CC[C@@](C1)(C(=O)[O-])[C@@H]1CCC[C@H](C1)[*:1]
C[C@@H]1CC[C@@](C(=O)[O-])([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 O=C([O-])[*:1] C[C@@H]1CC[C@](C1)([C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC(=O)NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C CC(=O)NNC(=O)[*:1] Cc1ccc(cc1)-c1nnc(SC[*:1])n1C
CC(=O)NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C Cc1ccc(cc1)[*:1] CC(=O)NNC(=O)CSc1nnc(n1C)[*:1]
O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1Cl FC(F)(F)[*:1] O=C(Nc1n[n-]c(n1)[*:1])c1ccccc1Cl
CCN(CC)C(=O)CCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 CCN(CC)C(=O)[*:1] C[C@H]1C[C@@H](c2cccc(F)c2)N(C1)C(=O)CC[*:1]
CCN(CC)C(=O)CCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 CCN(CC)C(=O)C[*:1] C[C@H]1C[C@@H](c2cccc(F)c2)N(C1)C(=O)C[*:1]
CCN(CC)C(=O)CCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(CC)C(=O)CCC(=O)N1C[C@@H](C)C[C@@H]1[*:1]
COC(=O)c1ccsc1NC(=O)[C@@H](C)c1ccsc1 COC(=O)[*:1] C[C@H](C(=O)Nc1sccc1[*:1])c1ccsc1
COC(=O)c1ccsc1NC(=O)[C@@H](C)c1ccsc1 c1cc(cs1)[*:1] COC(=O)c1ccsc1NC(=O)[C@@H](C)[*:1]
CC[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1nccs1 O=[N+]([O-])[*:1] CC[C@@H](Nc1ccc(c2cnccc12)[*:1])c1nccs1
CC[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1nccs1 c1csc(n1)[*:1] CC[C@@H](Nc1ccc(c2cnccc12)[N+](=O)[O-])[*:1]
CCOc1c(Cl)cccc1NC(=O)c1ccc(-n2cnc3ccccc32)nc1 CCO[*:1] O=C(Nc1cccc(Cl)c1[*:1])c1ccc(nc1)-n1cnc2ccccc21
CCOc1c(Cl)cccc1NC(=O)c1ccc(-n2cnc3ccccc32)nc1 c1ccc2c(c1)ncn2[*:1] CCOc1c(Cl)cccc1NC(=O)c1ccc(nc1)[*:1]
CCc1nn(C)cc1CNC(=O)NNC(=O)Cc1ccccc1C Cc1ccccc1[*:1] CCc1nn(C)cc1CNC(=O)NNC(=O)C[*:1]
CCc1nn(C)cc1CNC(=O)NNC(=O)Cc1ccccc1C CCc1nn(C)cc1[*:1] Cc1ccccc1CC(=O)NNC(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)NNC(=O)Cc1ccccc1C Cc1ccccc1C[*:1] CCc1nn(C)cc1CNC(=O)NNC(=O)[*:1]
O=S(=O)(Nc1ccccc1)c1ccc(CO)cc1F c1ccc(cc1)[*:1] O=S(=O)(N[*:1])c1ccc(cc1F)CO
COCCN(C(=O)Cn1cccn1)[C@@H]1CCS(=O)(=O)C1 c1cnn(c1)C[*:1] COCCN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
COCCN(C(=O)Cn1cccn1)[C@@H]1CCS(=O)(=O)C1 COC[*:1] O=C(Cn1cccn1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COCCN(C(=O)Cn1cccn1)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] O=C(Cn1cccn1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COCCN(C(=O)Cn1cccn1)[C@@H]1CCS(=O)(=O)C1 c1cnn(c1)[*:1] COCCN(C(=O)C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cn(-c2ccccc2Cl)nc1NC(=O)[C@H](C)[NH+]1CCSCC1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)[C@H](C)[NH+]1CCSCC1)[*:1]
CC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C CC(=O)N[*:1] Cc1ccccc1Cn1nc(C)c(c1C)[*:1]
CC[C@@H](C)CN(C)C(=O)c1c[nH]c2cccc(F)c12 CC[C@@H](C)[*:1] CN(C[*:1])C(=O)c1c[nH]c2cccc(F)c12
CC[C@@H](C)CN(C)C(=O)c1c[nH]c2cccc(F)c12 CC[C@@H](C)C[*:1] CN(C(=O)c1c[nH]c2cccc(F)c12)[*:1]
O=C(Oc1ccccc1Cl)C1CCN(c2ncccn2)CC1 Clc1ccccc1[*:1] O=C(O[*:1])C1CCN(CC1)c1ncccn1
O=C(Oc1ccccc1Cl)C1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(Oc1ccccc1Cl)C1CCN(CC1)[*:1]
Cc1cccc([C@@H](CNS(=O)(=O)c2ccc(C)cc2F)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H](CNS(=O)(=O)c1ccc(C)cc1F)[*:1]
Cc1cccc([C@@H](CNS(=O)(=O)c2ccc(C)cc2F)N2CCOCC2)c1 Cc1cccc(c1)[*:1] Cc1ccc(c(F)c1)S(=O)(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1cccc([C@@H](CNS(=O)(=O)c2ccc(C)cc2F)N2CCOCC2)c1 Cc1ccc(c(F)c1)[*:1] Cc1cccc(c1)[C@@H](CNS(=O)(=O)[*:1])N1CCOCC1
COc1ccc2[nH]cc(C(=O)N[C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)c2n1 Cc1ccc(cc1)NC(=O)[*:1] COc1ccc2[nH]cc(C(=O)N[C@@H](c3ccccc3)[*:1])c2n1
COc1ccc2[nH]cc(C(=O)N[C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)c2n1 Cc1ccc(cc1)[*:1] COc1ccc2[nH]cc(C(=O)N[C@@H](C(=O)N[*:1])c3ccccc3)c2n1
COc1ccc2[nH]cc(C(=O)N[C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)c2n1 c1ccc(cc1)[*:1] COc1ccc2[nH]cc(C(=O)N[C@@H](C(=O)Nc3ccc(C)cc3)[*:1])c2n1
Cc1ccc(NC(=O)c2cc(C)c(C#CCN)s2)c(C)n1 NCC#C[*:1] Cc1ccc(NC(=O)c2cc(C)c(s2)[*:1])c(C)n1
C[C@@H]1C[C@@H]1NC(=O)c1ccccc1SCc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1NC(=O)c1ccccc1SCc1nnnn1[*:1]
O=C(CSc1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 c1ccc(cc1)S[*:1] O=C(C[*:1])Nc1cccc(c1)-c1nc2ccccc2o1
O=C(CSc1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 c1ccc(cc1)SC[*:1] O=C(Nc1cccc(c1)-c1nc2ccccc2o1)[*:1]
O=C(CSc1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 c1ccc(cc1)[*:1] O=C(CS[*:1])Nc1cccc(c1)-c1nc2ccccc2o1
Clc1ccc(-n2nccc2-c2nccs2)cc1 c1csc(n1)[*:1] Clc1ccc(cc1)-n1nccc1[*:1]
CC(C)Oc1ccccc1CC(=O)NNc1cc(C#N)cc(Cl)n1 CC(C)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)Cc1ccccc1O[*:1]
CC(C)Oc1ccccc1CC(=O)NNc1cc(C#N)cc(Cl)n1 CC(C)O[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)Cc1ccccc1[*:1]
CC(C)C[C@@H]1NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O FC(F)(F)[*:1] CC(C)C[C@@H]1NC(=O)N(C1=O)c1cccc(c1)[*:1]
CC(C)C[C@@H]1NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O CC(C)[*:1] O=C1N[C@@H](C[*:1])C(=O)N1c1cccc(c1)C(F)(F)F
CC(C)C[C@@H]1NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O CC(C)C[*:1] O=C1N[C@H](C(=O)N1c1cccc(c1)C(F)(F)F)[*:1]
C[C@@H](C(=O)NC[C@H](O)c1cccc(OC(F)F)c1)C1CCOCC1 FC(F)O[*:1] C[C@@H](C(=O)NC[C@H](O)c1cccc(c1)[*:1])C1CCOCC1
C[C@@H](C(=O)NC[C@H](O)c1cccc(OC(F)F)c1)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](C(=O)NC[C@H](O)c1cccc(c1)OC(F)F)[*:1]
C[C@@H](C(=O)NC[C@H](O)c1cccc(OC(F)F)c1)C1CCOCC1 C[C@@H](C1CCOCC1)[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)[*:1]
C[C@@H](C(=O)NC[C@H](O)c1cccc(OC(F)F)c1)C1CCOCC1 FC(F)[*:1] C[C@@H](C(=O)NC[C@H](O)c1cccc(c1)O[*:1])C1CCOCC1
C/C(=C/CCBr)c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] C/C(=C/CCBr)c1ccccc1[*:1]
C/C(=C/CCBr)c1ccccc1OC(F)(F)F BrCC[*:1] CC(=C[*:1])c1ccccc1OC(F)(F)F
C/C(=C/CCBr)c1ccccc1OC(F)(F)F FC(F)(F)[*:1] C/C(=C/CCBr)c1ccccc1O[*:1]
CC[NH2+][C@H](c1ccccc1C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 Cc1ccccc1[*:1] CC[NH2+][C@H]([C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC[NH2+][C@H](c1ccccc1C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[NH2+][C@H](c1ccccc1C)[C@H]1CCC[C@H](C1)[*:1]
COc1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1ccc(/C=N/Nc2ccccc2[*:1])cc1OC
Cc1cccc(OCCCC(=O)Nc2cccc(F)c2)c1 Cc1cccc(c1)[*:1] O=C(CCCO[*:1])Nc1cccc(F)c1
Cc1cccc(OCCCC(=O)Nc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1)OCCCC(=O)N[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)cnc21 CCC[*:1] O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2[*:1])N1CCC[C@@H]2CCCC[C@H]21
COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)Cc1csc(n1)NS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)cc1 Cc1ccc(cc1F)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)CC(=O)N[*:1]
CN(CCS(C)(=O)=O)C(=O)CNC(=O)c1ccccc1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)CNC(=O)c1ccccc1
CN(CCS(C)(=O)=O)C(=O)CNC(=O)c1ccccc1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)CNC(=O)c1ccccc1
CN(CCS(C)(=O)=O)C(=O)CNC(=O)c1ccccc1 CS(=O)(=O)CC[*:1] CN(C(=O)CNC(=O)c1ccccc1)[*:1]
CN(CCS(C)(=O)=O)C(=O)CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CCS(C)(=O)=O)C(=O)CNC(=O)[*:1]
CC(=O)Nc1nc(C(=O)N2CCC[C@H]2c2cccc(F)c2)cs1 Fc1cccc(c1)[*:1] CC(=O)Nc1nc(cs1)C(=O)N1CCC[C@@H]1[*:1]
CC(=O)Nc1nc(C(=O)N2CCC[C@H]2c2cccc(F)c2)cs1 CC(=O)N[*:1] O=C(c1csc(n1)[*:1])N1CCC[C@H]1c1cccc(F)c1
CC(C)(C)n1ncc2c(=O)[nH]c(NCc3cccs3)nc21 c1csc(c1)C[*:1] CC(C)(C)n1ncc2c(=O)[nH]c(nc21)N[*:1]
CC(C)(C)n1ncc2c(=O)[nH]c(NCc3cccs3)nc21 c1csc(c1)[*:1] CC(C)(C)n1ncc2c(=O)[nH]c(nc21)NC[*:1]
CC(C)(C)n1ncc2c(=O)[nH]c(NCc3cccs3)nc21 c1csc(c1)CN[*:1] CC(C)(C)n1ncc2c(=O)[nH]c(nc21)[*:1]
CC(C)(C)n1ncc2c(=O)[nH]c(NCc3cccs3)nc21 CC(C)(C)[*:1] O=c1[nH]c(nc2c1cnn2[*:1])NCc1cccs1
Cc1cc(F)ccc1S(=O)(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1 c1cncc(c1)[*:1] Cc1cc(F)ccc1S(=O)(=O)Oc1ccc(cc1)C(=O)N[*:1]
Cc1cc(F)ccc1S(=O)(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1 Cc1cc(F)ccc1[*:1] O=C(Nc1cccnc1)c1ccc(cc1)OS(=O)(=O)[*:1]
Cc1cc(F)ccc1S(=O)(=O)Oc1ccc(C(=O)Nc2cccnc2)cc1 O=C(Nc1cccnc1)[*:1] Cc1cc(F)ccc1S(=O)(=O)Oc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4Cl)nn3c2C)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)N[*:1])-c1ccccc1Cl
CC(=O)c1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4Cl)nn3c2C)cc1 CC(=O)[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)Nc1ccc(cc1)[*:1])-c1ccccc1Cl
CC(=O)c1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4Cl)nn3c2C)cc1 Clc1ccccc1[*:1] CC(=O)c1ccc(cc1)NC(=O)Cc1c(C)nc2nc(nn2c1C)[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)c2nc(C3CC3)n3ccccc23)cc1 Cc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)c1nc(C2CC2)n2ccccc12)[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)c2nc(C3CC3)n3ccccc23)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](C)N(C)C(=O)c1nc(n2ccccc12)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)N1CCO[C@H](C)C1 CCS(=O)(=O)[*:1] C[C@@H]1CN(CCO1)C(=O)c1ccccc1[*:1]
Cc1cc(C)c(S(=O)(=O)NCCCCl)c(C)c1 ClCCC[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N[*:1]
Cc1cc(C)c(S(=O)(=O)NCCCCl)c(C)c1 ClCC[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NC[*:1]
CC(C)C[C@H]1COCCN1C(=O)c1cccc(OCC(N)=O)c1 NC(=O)CO[*:1] CC(C)C[C@H]1COCCN1C(=O)c1cccc(c1)[*:1]
CC(C)C[C@H]1COCCN1C(=O)c1cccc(OCC(N)=O)c1 CC(C)C[*:1] NC(=O)COc1cccc(c1)C(=O)N1CCOC[C@@H]1[*:1]
CC(C)C[C@H]1COCCN1C(=O)c1cccc(OCC(N)=O)c1 CC(C)[*:1] NC(=O)COc1cccc(c1)C(=O)N1CCOC[C@@H]1C[*:1]
CC(C)C[C@H]1COCCN1C(=O)c1cccc(OCC(N)=O)c1 NC(=O)C[*:1] CC(C)C[C@H]1COCCN1C(=O)c1cccc(c1)O[*:1]
CC(C)C[C@H]1COCCN1C(=O)c1cccc(OCC(N)=O)c1 NC(=O)[*:1] CC(C)C[C@H]1COCCN1C(=O)c1cccc(c1)OC[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C)c1nc3cc([N+](=O)[O-])ccc3nc12 O=[N+]([O-])[*:1] CC1(C)[C@]2(C)CC[C@@]1(C)c1nc3cc(ccc3nc12)[*:1]
CC[C@@H](OC(=O)c1cccc(C)n1)c1cccc([N+](=O)[O-])c1 Cc1cccc(n1)[*:1] CC[C@@H](OC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@@H](OC(=O)c1cccc(C)n1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](OC(=O)c1cccc(C)n1)c1cccc(c1)[*:1]
COc1cc(C(=O)Nc2nc(CN3CCc4ccccc4C3)cs2)cc(OC)c1OC c1ccc2CN(CCc2c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1nc(cs1)C[*:1]
Cc1cccc(C(C)(C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c1 c1cn(cn1)[*:1] Cc1cccc(c1)C(C)(C)[NH2+]Cc1ccc(nc1)[*:1]
Cc1cccc(C(C)(C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c1 Cc1cccc(c1)[*:1] CC(C)([NH2+]Cc1ccc(nc1)-n1ccnc1)[*:1]
CCCn1ccc2nccc(-c3ccccc3)c2c1=O CCC[*:1] O=c1c2c(ccnc2ccn1[*:1])-c1ccccc1
CCCn1ccc2nccc(-c3ccccc3)c2c1=O c1ccc(cc1)[*:1] CCCn1ccc2nccc(c2c1=O)[*:1]
CCCc1ccc([C@H]([NH2+]C)[C@@]2(C)CCCO2)cc1 CCC[*:1] C[NH2+][C@@H](c1ccc(cc1)[*:1])[C@@]1(C)CCCO1
CC[C@H](O)CCNC(=O)Nc1ccc(C(C)=O)c(C)c1 CC[C@H](O)C[*:1] CC(=O)c1ccc(cc1C)NC(=O)NC[*:1]
CC[C@H](O)CCNC(=O)Nc1ccc(C(C)=O)c(C)c1 CC(=O)[*:1] CC[C@H](O)CCNC(=O)Nc1ccc(c(C)c1)[*:1]
CC[C@H](O)CCNC(=O)Nc1ccc(C(C)=O)c(C)c1 CC[C@H](O)[*:1] CC(=O)c1ccc(cc1C)NC(=O)NCC[*:1]
CC[C@H](O)CCNC(=O)Nc1ccc(C(C)=O)c(C)c1 CC[C@H](O)CC[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[*:1]
COc1ccccc1-n1c(S[C@H](C)C(N)=O)nnc1-c1cccs1 c1csc(c1)[*:1] COc1ccccc1-n1c(nnc1[*:1])S[C@H](C)C(N)=O
COc1ccccc1-n1c(S[C@H](C)C(N)=O)nnc1-c1cccs1 NC(=O)[*:1] COc1ccccc1-n1c(nnc1-c1cccs1)S[C@H](C)[*:1]
COc1ccccc1-n1c(S[C@H](C)C(N)=O)nnc1-c1cccs1 C[C@@H](S[*:1])C(N)=O COc1ccccc1-n1c(nnc1[*:1])-c1cccs1
COc1ccccc1-n1c(S[C@H](C)C(N)=O)nnc1-c1cccs1 COc1ccccc1[*:1] C[C@@H](Sc1nnc(-c2cccs2)n1[*:1])C(N)=O
CN(C(=O)CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)C[*:1] CN(C(=O)CSc1n[nH]c(=O)n1[*:1])c1ccccc1
CN(C(=O)CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)[*:1] CN(C(=O)CSc1n[nH]c(=O)n1C[*:1])c1ccccc1
CN(C(=O)CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)[*:1]
CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]C1CC1 CC(C)(C)[*:1] C1CO[C@@H]([C@@H](C1)C[NH2+]C1CC1)[*:1]
CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]C1CC1 C1CC1[*:1] CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+][*:1]
Cc1cccc(Cn2cccc(C(=O)N3CCC(NC(N)=O)CC3)c2=O)c1 Cc1cccc(c1)[*:1] NC(=O)NC1CCN(CC1)C(=O)c1cccn(C[*:1])c1=O
Cc1cccc(Cn2cccc(C(=O)N3CCC(NC(N)=O)CC3)c2=O)c1 NC(=O)N[*:1] Cc1cccc(c1)Cn1cccc(C(=O)N2CCC(CC2)[*:1])c1=O
Cc1cccc(Cn2cccc(C(=O)N3CCC(NC(N)=O)CC3)c2=O)c1 Cc1cccc(c1)C[*:1] NC(=O)NC1CCN(CC1)C(=O)c1cccn(c1=O)[*:1]
CC[C@H](CNC(=O)c1occc1Br)Oc1ccccc1F Brc1ccoc1[*:1] CC[C@H](CNC(=O)[*:1])Oc1ccccc1F
CC[C@H](CNC(=O)c1occc1Br)Oc1ccccc1F Fc1ccccc1[*:1] CC[C@H](CNC(=O)c1occc1Br)O[*:1]
CC(=O)c1c(C)cc(C)c(CN(C#N)c2ccc(F)c([N+](=O)[O-])c2)c1C CC(=O)[*:1] Cc1cc(C)c(c(C)c1CN(C#N)c1ccc(F)c(c1)[N+](=O)[O-])[*:1]
CC(=O)c1c(C)cc(C)c(CN(C#N)c2ccc(F)c([N+](=O)[O-])c2)c1C O=[N+]([O-])[*:1] CC(=O)c1c(C)cc(C)c(CN(C#N)c2ccc(F)c(c2)[*:1])c1C
Cc1ccc(C(=O)COC(=O)COc2ccc(C#N)cc2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(cc1)OCC(=O)OCC(=O)[*:1]
Cc1ccc(NC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)S(C)(=O)=O
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1c[nH]c2ccccc12 c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)NCCc1c[nH]c2ccccc12)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1c[nH]c2ccccc12 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)NCCc1c[nH]c2ccccc12
Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 Fc1ccc(cc1)O[*:1] Cc1nc(C[*:1])sc1C(=O)Nc1ccc2O[C@@H](C)C(=O)Nc2c1
Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 Fc1ccc(cc1)OC[*:1] Cc1nc(sc1C(=O)Nc1ccc2O[C@@H](C)C(=O)Nc2c1)[*:1]
Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 Fc1ccc(cc1)[*:1] Cc1nc(CO[*:1])sc1C(=O)Nc1ccc2O[C@@H](C)C(=O)Nc2c1
Cc1cccnc1NC(=S)NC(=O)c1oc2ccccc2c1C Cc1cccnc1[*:1] Cc1c(oc2ccccc12)C(=O)NC(=S)N[*:1]
COCc1nc(C(=O)N2CCn3c(nnc3C(C)C)C2)cs1 COC[*:1] CC(C)c1nnc2CN(CCn21)C(=O)c1csc(n1)[*:1]
COCc1nc(C(=O)N2CCn3c(nnc3C(C)C)C2)cs1 CC(C)[*:1] COCc1nc(cs1)C(=O)N1CCn2c(C1)nnc2[*:1]
O=C(NC1CCSCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC1CCSCC1)C1C[C@H](c2ccccc2)N(N=1)[*:1]
O=C(NC1CCSCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 C1CC(CCS1)[*:1] O=C(N[*:1])C1C[C@H](c2ccccc2)N(N=1)c1ccccc1
O=C(NC1CCSCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC1CCSCC1)C1C[C@H](N(N=1)c1ccccc1)[*:1]
c1ccn2cc(CSc3nnc(N4CCOCC4)n3C[C@@H]3CCCO3)nc2c1 C1CN(CCO1)[*:1] c1ccn2cc(CSc3nnc(n3C[C@@H]3CCCO3)[*:1])nc2c1
c1ccn2cc(CSc3nnc(N4CCOCC4)n3C[C@@H]3CCCO3)nc2c1 c1ccn2cc(nc2c1)[*:1] C1CO[C@@H](C1)Cn1c(nnc1N1CCOCC1)SC[*:1]
CCOC(=O)c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 CCOC(=O)[*:1] O=C(CCc1nc2sc3CCCCc3c2c(=O)[nH]1)Nc1ccc(cc1)[*:1]
CCC(CC)NC(=O)[C@H](C)Nc1cccc(CO)c1 CCC(CC)[*:1] C[C@H](Nc1cccc(c1)CO)C(=O)N[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2nnc(C3CC3)s2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2nnc(s2)C2CC2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2nnc(C3CC3)s2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2nnc(s2)[*:1])c1C1CC1
Cc1cc(-c2csc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])n2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cc(F)c(F)cc1[N+](=O)[O-]
Cc1cc(-c2csc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])n2)c(C)o1 O=[N+]([O-])[*:1] Cc1cc(-c2csc(n2)NC(=O)c2cc(F)c(F)cc2[*:1])c(C)o1
Cc1cc2nc(NC3=N[C@@H](O)C=C(CSc4nc5ccccc5[nH]4)N3)nc(C)c2cc1C c1ccc2[nH]c(nc2c1)S[*:1] Cc1cc2nc(nc(C)c2cc1C)NC1=N[C@@H](O)C=C(C[*:1])N1
Cc1cc2nc(NC3=N[C@@H](O)C=C(CSc4nc5ccccc5[nH]4)N3)nc(C)c2cc1C c1ccc2[nH]c(nc2c1)[*:1] Cc1cc2nc(nc(C)c2cc1C)NC1=N[C@@H](O)C=C(CS[*:1])N1
NC(=O)N[C@@H]1CCCC2=c3cc(Cl)ccc3=[NH+][C@@H]21 NC(=O)N[*:1] Clc1ccc2=[NH+][C@H]3C(CCC[C@H]3[*:1])=c2c1
Cc1ccc(NC(=O)[C@H](C)c2cccs2)cc1N1CCOC1=O c1csc(c1)[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)[C@H](C)[*:1]
Cc1ccc(NC(=O)[C@H](C)c2cccs2)cc1N1CCOC1=O O=C1OCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H](C)c1cccs1
CC(C)CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 CC(C)C[*:1] O=C(CCN(C(=O)c1ccccc1)[*:1])N1CC[NH2+]CC1
CC(C)CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 CC(C)[*:1] O=C(CCN(C[*:1])C(=O)c1ccccc1)N1CC[NH2+]CC1
CC(C)CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CN(CCC(=O)N1CC[NH2+]CC1)C(=O)[*:1]
O=C(NCc1ccc(F)cc1)c1cccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1cccc(c1)/N=C1\N[C@@H]2CS(=O)(=O)C[C@H]2S1
O=C(NCc1ccc(F)cc1)c1cccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])c1cccc(c1)/N=C1\N[C@@H]2CS(=O)(=O)C[C@H]2S1
CCOc1cc(C#N)ccc1OCC(=O)N1CCCCCCC1 CCO[*:1] N#Cc1ccc(OCC(=O)N2CCCCCCC2)c(c1)[*:1]
O=C(COc1ccc2ccccc2c1)Nc1cnn(Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] O=C(COc1ccc2ccccc2c1)Nc1cnn(c1)C[*:1]
O=C(COc1ccc2ccccc2c1)Nc1cnn(Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)C[*:1] O=C(COc1ccc2ccccc2c1)Nc1cnn(c1)[*:1]
O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(Nn1cnc2c(cnn2[*:1])c1=O)c1ccc(cc1)[N+](=O)[O-]
O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(cc1)[*:1]
O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)[*:1]
Cc1cc(=O)c(C(=O)Nc2cccc(OCCc3ccccc3)c2)c[nH]1 c1ccc(cc1)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)Nc1cccc(c1)OCC[*:1]
Cc1cc(=O)c(C(=O)Nc2cccc(OCCc3ccccc3)c2)c[nH]1 c1ccc(cc1)C[*:1] Cc1cc(=O)c(c[nH]1)C(=O)Nc1cccc(c1)OC[*:1]
Cc1cc(=O)c(C(=O)Nc2cccc(OCCc3ccccc3)c2)c[nH]1 c1ccc(cc1)CC[*:1] Cc1cc(=O)c(c[nH]1)C(=O)Nc1cccc(c1)O[*:1]
Cc1cc(=O)c(C(=O)Nc2cccc(OCCc3ccccc3)c2)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] O=C(Nc1cccc(c1)OCCc1ccccc1)[*:1]
COCCn1ccc2ccc(NC(=O)N[C@H]3CCCC[C@H]3OC)cc21 COC[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)N[C@H]3CCCC[C@H]3OC)cc21 COCC[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2ccn(c2c1)[*:1]
C[C@@H](CNC(=O)NCCc1cccnc1)C[NH+]1CCCC1 c1cncc(c1)C[*:1] C[C@@H](CNC(=O)NC[*:1])C[NH+]1CCCC1
C[C@@H](CNC(=O)NCCc1cccnc1)C[NH+]1CCCC1 c1cncc(c1)[*:1] C[C@@H](CNC(=O)NCC[*:1])C[NH+]1CCCC1
CCCc1nc(C(=O)Nc2ccccc2C[NH+](C)C)n[nH]1 CCC[*:1] C[NH+](C)Cc1ccccc1NC(=O)c1n[nH]c(n1)[*:1]
CCOc1ccc(N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)C(=O)c2ccc(OC)cc2)cc1 CCO[*:1] COc1ccc(cc1)C(=O)N(C[C@@H]1C=c2ccccc2=[NH+]C1=O)c1ccc(cc1)[*:1]
CCOc1ccc(N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)C(=O)c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)N(C[C@@H]1C=c2ccccc2=[NH+]C1=O)C(=O)[*:1]
CCOc1ccc(N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)C(=O)c2ccc(OC)cc2)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N(C[C@@H]1C=c2ccccc2=[NH+]C1=O)[*:1]
C=CCCCN(C)C(=O)c1c[nH]c2nccc(Cl)c12 C=CCCC[*:1] CN(C(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
C=CCCCN(C)C(=O)c1c[nH]c2nccc(Cl)c12 C=CC[*:1] CN(CC[*:1])C(=O)c1c[nH]c2nccc(Cl)c12
C=CCCCN(C)C(=O)c1c[nH]c2nccc(Cl)c12 C=CCC[*:1] CN(C[*:1])C(=O)c1c[nH]c2nccc(Cl)c12
O=C(Cc1cccc(Cl)c1)Nc1scnc1-c1ccc(F)cc1 Clc1cccc(c1)[*:1] O=C(C[*:1])Nc1scnc1-c1ccc(F)cc1
O=C(Cc1cccc(Cl)c1)Nc1scnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1cccc(Cl)c1)Nc1scnc1[*:1]
Cc1c([C@H](C)NC(=O)c2cnn(CC(=O)[O-])c2)cnn1C Cc1c(cnn1C)[*:1] C[C@H](NC(=O)c1cnn(c1)CC(=O)[O-])[*:1]
Cc1c([C@H](C)NC(=O)c2cnn(CC(=O)[O-])c2)cnn1C O=C([O-])[*:1] Cc1c(cnn1C)[C@H](C)NC(=O)c1cnn(c1)C[*:1]
Cc1c([C@H](C)NC(=O)c2cnn(CC(=O)[O-])c2)cnn1C O=C([O-])C[*:1] Cc1c(cnn1C)[C@H](C)NC(=O)c1cnn(c1)[*:1]
CCOC(=O)Nc1nc2c(s1)CN(CC(=O)NCc1ccc3c(c1)OCO3)CC2 c1cc2OCOc2cc1[*:1] CCOC(=O)Nc1nc2CCN(CC(=O)NC[*:1])Cc2s1
CCOC(=O)Nc1nc2c(s1)CN(CC(=O)NCc1ccc3c(c1)OCO3)CC2 CCOC(=O)N[*:1] O=C(CN1CCc2nc(sc2C1)[*:1])NCc1ccc2OCOc2c1
Nc1c(C(=O)NCc2ccccc2Cl)sc2nc(-c3cccs3)ccc12 c1csc(c1)[*:1] Nc1c(sc2nc(ccc12)[*:1])C(=O)NCc1ccccc1Cl
Nc1c(C(=O)NCc2ccccc2Cl)sc2nc(-c3cccs3)ccc12 Clc1ccccc1C[*:1] Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)N[*:1]
Nc1c(C(=O)NCc2ccccc2Cl)sc2nc(-c3cccs3)ccc12 Clc1ccccc1[*:1] Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)NC[*:1]
Cc1ccccc1CC(=O)OCC(=O)N1CCc2ccccc21 Cc1ccccc1[*:1] O=C(C[*:1])OCC(=O)N1CCc2ccccc21
Cc1ccc(-c2[nH]c3c(c2[C@@H]2C(=O)Nc4ccccc42)c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2c(c([nH]c2n(C)c1=O)[*:1])[C@@H]1C(=O)Nc2ccccc21
COc1ccccc1N1CC[C@H](CNC(=O)N2C[C@H]3CCCC[C@H]3C2)C1 COc1ccccc1[*:1] O=C(NC[C@H]1CCN(C1)[*:1])N1C[C@H]2CCCC[C@H]2C1
Cc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])C(=O)Nc1cccc(F)c1
Cc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)NCc1ccccc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)NCc1ccccc1)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)NC[*:1])C(=O)Nc1cccc(F)c1
CC[C@@](C)([NH3+])C(=O)N(Cc1ccccn1)C(C)C CC(C)[*:1] CC[C@@](C)([NH3+])C(=O)N(Cc1ccccn1)[*:1]
CC[C@@](C)([NH3+])C(=O)N(Cc1ccccn1)C(C)C c1ccc(nc1)[*:1] CC[C@@](C)([NH3+])C(=O)N(C[*:1])C(C)C
C[C@@H](c1ccncc1)[C@@H](O)C1CCCC1 C1CCC(C1)[*:1] C[C@@H](c1ccncc1)[C@@H](O)[*:1]
COc1cc(C=O)cc(OC)c1O[C@H](C)C(=O)[O-] O=C([O-])[*:1] COc1cc(C=O)cc(OC)c1O[C@H](C)[*:1]
CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCNC(=O)C1CC1 C1CC1[*:1] CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCNC(=O)[*:1]
CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCNC(=O)C1CC1 O=C(N[*:1])C1CC1 CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC[*:1]
Cc1csc(CN(C)C[C@@]2(O)CCCN(CC(C)(C)C)C2=O)n1 CC(C)(C)[*:1] Cc1csc(CN(C)C[C@@]2(O)CCCN(C[*:1])C2=O)n1
Cc1csc(CN(C)C[C@@]2(O)CCCN(CC(C)(C)C)C2=O)n1 Cc1csc(C[*:1])n1 CN(C[C@@]1(O)CCCN(CC(C)(C)C)C1=O)[*:1]
Cc1csc(CN(C)C[C@@]2(O)CCCN(CC(C)(C)C)C2=O)n1 Cc1csc(n1)[*:1] CN(C[C@@]1(O)CCCN(CC(C)(C)C)C1=O)C[*:1]
Cc1csc(CN(C)C[C@@]2(O)CCCN(CC(C)(C)C)C2=O)n1 CC(C)(C)C[*:1] Cc1csc(CN(C)C[C@@]2(O)CCCN(C2=O)[*:1])n1
O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=S(=O)(NCC1(CCCCC1)N1CCOCC1)[*:1]
O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1cccc(Cl)c1 C1CN(CCO1)[*:1] O=S(=O)(NCC1(CCCCC1)[*:1])c1cccc(Cl)c1
CCCc1c(C[NH2+]C(C)C)cnn1CC(C)C CC(C)[*:1] CCCc1c(cnn1C[*:1])C[NH2+]C(C)C
CCCc1c(C[NH2+]C(C)C)cnn1CC(C)C CC(C)C[*:1] CCCc1c(cnn1[*:1])C[NH2+]C(C)C
CCCc1c(C[NH2+]C(C)C)cnn1CC(C)C CC(C)[*:1] CCCc1c(cnn1CC(C)C)C[NH2+][*:1]
CCCc1c(C[NH2+]C(C)C)cnn1CC(C)C CCC[*:1] CC(C)Cn1ncc(C[NH2+]C(C)C)c1[*:1]
Cc1ccc(C(=O)C(=O)N(CCO)Cc2ccccc2)cc1 OCC[*:1] Cc1ccc(cc1)C(=O)C(=O)N(Cc1ccccc1)[*:1]
Cc1ccc(C(=O)C(=O)N(CCO)Cc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(C(=O)[*:1])N(CCO)Cc1ccccc1
Cc1ccc(C(=O)C(=O)N(CCO)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)C(=O)N(CCO)C[*:1]
Cc1ccc(C(=O)C(=O)N(CCO)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)C(=O)N(CCO)[*:1]
C[C@@H](OC(=O)c1cccc(SCC#N)c1)c1ccccc1[N+](=O)[O-] N#CC[*:1] C[C@@H](OC(=O)c1cccc(c1)S[*:1])c1ccccc1[N+](=O)[O-]
C[C@@H](OC(=O)c1cccc(SCC#N)c1)c1ccccc1[N+](=O)[O-] N#CCS[*:1] C[C@@H](OC(=O)c1cccc(c1)[*:1])c1ccccc1[N+](=O)[O-]
C[C@@H](OC(=O)c1cccc(SCC#N)c1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](OC(=O)c1cccc(c1)SCC#N)c1ccccc1[*:1]
FC(F)(F)c1ccc(Cn2nnc(-c3cccs3)n2)cc1 FC(F)(F)[*:1] c1csc(c1)-c1nnn(Cc2ccc(cc2)[*:1])n1
FC(F)(F)c1ccc(Cn2nnc(-c3cccs3)n2)cc1 c1csc(c1)[*:1] FC(F)(F)c1ccc(cc1)Cn1nnc(n1)[*:1]
CCN1CCO[C@H](C(=O)/N=c2\[nH]ccn2Cc2ccccc2Cl)C1 Clc1ccccc1[*:1] CCN1CCO[C@@H](C1)C(=O)/N=c1\[nH]ccn1C[*:1]
CCN1CCO[C@H](C(=O)/N=c2\[nH]ccn2Cc2ccccc2Cl)C1 Clc1ccccc1C[*:1] CCN1CCO[C@@H](C1)C(=O)/N=c1\[nH]ccn1[*:1]
CO[C@@]1(C)C[C@H](NC(=O)NCc2ncc(-c3ccccc3)o2)C1(C)C c1ccc(cc1)[*:1] CO[C@@]1(C)C[C@H](NC(=O)NCc2ncc(o2)[*:1])C1(C)C
CCOc1ccccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 CCO[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Nc1ccccc1[*:1]
CCN(Cc1ccc(OC)c(F)c1)C(=O)c1nn(CC)c(=O)c2ccccc12 COc1ccc(cc1F)[*:1] CCN(C[*:1])C(=O)c1nn(CC)c(=O)c2ccccc12
Cc1ccc([C@](C)(O)CNC(=O)C(=O)Nc2ccc(Cl)cc2)o1 Cc1ccc(o1)[*:1] C[C@](O)(CNC(=O)C(=O)Nc1ccc(Cl)cc1)[*:1]
Cc1ccc([C@](C)(O)CNC(=O)C(=O)Nc2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)C(=O)N[*:1]
CSc1ccc([C@H](O)[C@@H](C)c2ccccn2)cc1 c1ccc(nc1)[*:1] CSc1ccc(cc1)[C@H](O)[C@@H](C)[*:1]
CCCc1nc(CN2CCN(c3ncccn3)CC2)cs1 CCC[*:1] c1cnc(nc1)N1CCN(CC1)Cc1csc(n1)[*:1]
CCCc1nc(CN2CCN(c3ncccn3)CC2)cs1 c1cnc(nc1)[*:1] CCCc1nc(cs1)CN1CCN(CC1)[*:1]
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N[C@H](C)[C@@H]2CCCO2)n1 Cc1cccc(n1)[*:1] Cc1cccc(CN(C[*:1])C(=O)N[C@H](C)[C@@H]2CCCO2)n1
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N[C@H](C)[C@@H]2CCCO2)n1 C1CO[C@@H](C1)[*:1] Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N[C@H](C)[*:1])n1
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N[C@H](C)[C@@H]2CCCO2)n1 Cc1cccc(C[*:1])n1 Cc1cccc(CN(C(=O)N[C@H](C)[C@@H]2CCCO2)[*:1])n1
CC[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]([NH2+]CC1CCN(CC1)S(C)(=O)=O)[*:1]
Clc1ccc2c(c1)N(Cc1nnc(C3CC3)o1)CCCS2 C1CC1[*:1] Clc1ccc2SCCCN(Cc3nnc(o3)[*:1])c2c1
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 O=[N+]([O-])[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccccn1)c1nc2ccc(cc2s1)[*:1]
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 CCS(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccccn1)c1nc2ccc(cc2s1)[N+](=O)[O-]
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 c1ccc(nc1)[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)N(C[*:1])c1nc2ccc(cc2s1)[N+](=O)[O-]
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 c1ccc(C[*:1])nc1 CCS(=O)(=O)c1ccc(cc1)C(=O)N(c1nc2ccc(cc2s1)[N+](=O)[O-])[*:1]
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 CCS(=O)(=O)c1ccc(cc1)[*:1] O=C(N(Cc1ccccn1)c1nc2ccc(cc2s1)[N+](=O)[O-])[*:1]
COc1ccccc1OCCC(=O)N(C)c1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] COc1ccccc1OCCC(=O)N(C)[*:1]
CC(=O)c1cnc(CCC(F)(F)F)s1 CC(=O)[*:1] FC(F)(F)CCc1ncc(s1)[*:1]
CC(=O)c1cnc(CCC(F)(F)F)s1 FC(F)(F)[*:1] CC(=O)c1cnc(CC[*:1])s1
CCc1ccc(C(C)(C)CNC(=O)N2CCC3(CC2)OCCO3)cc1 CCc1ccc(cc1)[*:1] CC(C)(CNC(=O)N1CCC2(CC1)OCCO2)[*:1]
CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ccc(Cl)c(Cl)c1 CC(C)[*:1] C[C@H](C(=O)NC[*:1])[S@](=O)Cc1ccc(Cl)c(Cl)c1
CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ccc(Cl)c(Cl)c1 CC(C)C[*:1] C[C@H](C(=O)N[*:1])[S@](=O)Cc1ccc(Cl)c(Cl)c1
CCOC(=O)c1c(NC(=O)CSC2=NC(=O)C3=C4CCC[C@@H]4SC3=N2)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)CSC2=NC(=O)C3C(=N2)S[C@H]2CCCC=32)c(c1C)[*:1]
C/C(=C/C(=O)NCC1(O)CCOCC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C/C(=C/C(=O)NCC1(O)CCOCC1)c1cccc(c1)[*:1]
C/C(=C/C(=O)NCC1(O)CCOCC1)c1cccc(C(F)(F)F)c1 OC1(CCOCC1)C[*:1] C/C(=C/C(=O)N[*:1])c1cccc(c1)C(F)(F)F
C/C(=C/C(=O)NCC1(O)CCOCC1)c1cccc(C(F)(F)F)c1 OC1(CCOCC1)[*:1] C/C(=C/C(=O)NC[*:1])c1cccc(c1)C(F)(F)F
CC(C)n1c(C[NH3+])nnc1S[C@@H]1CCO[C@]2(CCSC2)C1 CC(C)[*:1] [NH3+]Cc1nnc(S[C@@H]2CCO[C@]3(CCSC3)C2)n1[*:1]
CC[C@@H](NC(=O)c1ccc2c(c1)COCO2)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)c1ccc2OCOCc2c1)[*:1]
COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[NH+]1CCC(CC1)C[*:1]
COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 COC(=O)[*:1] Cc1ccc2c(NC(=O)C[NH+]3CCC(CC3)Cc3ccccc3)c([nH]c2c1)[*:1]
COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[NH+]1CCC(CC1)[*:1]
O=C(Nc1ccnn1Cc1ccco1)N1CCOC[C@H](O)C1 c1coc(c1)C[*:1] O=C(Nc1ccnn1[*:1])N1CCOC[C@H](O)C1
O=C(Nc1ccnn1Cc1ccco1)N1CCOC[C@H](O)C1 c1coc(c1)[*:1] O=C(Nc1ccnn1C[*:1])N1CCOC[C@H](O)C1
CC(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 Cc1cccc(c1)[*:1] CC(=O)N1CCC[C@H](C1)C(=O)NCCC[NH+]1CCN(CC1)[*:1]
CC(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 CC(=O)N1CCC[C@@H](C1)[*:1] Cc1cccc(c1)N1CC[NH+](CCCNC(=O)[*:1])CC1
CCCCN(C)S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 CCCC[*:1] CN(S(=O)(=O)N1CCc2ccc(cc2C1)[N+](=O)[O-])[*:1]
CCCCN(C)S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 CCC[*:1] CN(C[*:1])S(=O)(=O)N1CCc2ccc(cc2C1)[N+](=O)[O-]
CCCCN(C)S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] CCCCN(C)S(=O)(=O)N1CCc2ccc(cc2C1)[*:1]
COc1c(NC(=O)C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)c(C)nn1C COc1c(c(C)nn1C)[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)N[*:1])C(C)(C)C
COc1c(NC(=O)C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)c(C)nn1C CC(C)(C)[*:1] COc1c(NC(=O)C(=O)Nc2ccc3c(c2)nc(n3C)[*:1])c(C)nn1C
C=CCn1c(-c2nccn2Cc2noc(C(C)C)n2)nc2ccccc21 CC(C)c1nc(no1)[*:1] C=CCn1c(nc2ccccc21)-c1nccn1C[*:1]
C=CCn1c(-c2nccn2Cc2noc(C(C)C)n2)nc2ccccc21 C=CC[*:1] CC(C)c1nc(Cn2ccnc2-c2nc3ccccc3n2[*:1])no1
C=CCn1c(-c2nccn2Cc2noc(C(C)C)n2)nc2ccccc21 CC(C)[*:1] C=CCn1c(nc2ccccc21)-c1nccn1Cc1noc(n1)[*:1]
O=C(OC[C@H]1CC=CCC1)c1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(OC[C@H]1CC=CCC1)c1cccc(c1)[*:1]
O=C(OC[C@H]1CC=CCC1)c1cccc(OC(F)F)c1 FC(F)[*:1] O=C(OC[C@H]1CC=CCC1)c1cccc(c1)O[*:1]
COC(=O)C1(NC(=O)CC2CCCCCC2)CCSCC1 C1CCCC(CC1)[*:1] COC(=O)C1(CCSCC1)NC(=O)C[*:1]
COC(=O)C1(NC(=O)CC2CCCCCC2)CCSCC1 COC(=O)[*:1] O=C(CC1CCCCCC1)NC1(CCSCC1)[*:1]
CCN(C(=O)CCc1nc(C(C)C)no1)[C@@H](C)c1ccc(F)cc1 CC(C)c1noc(n1)[*:1] CCN(C(=O)CC[*:1])[C@@H](C)c1ccc(F)cc1
CCN(C(=O)CCc1nc(C(C)C)no1)[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)CCc1nc(no1)C(C)C)[C@@H](C)[*:1]
CCN(C(=O)CCc1nc(C(C)C)no1)[C@@H](C)c1ccc(F)cc1 CC(C)[*:1] CCN(C(=O)CCc1nc(no1)[*:1])[C@@H](C)c1ccc(F)cc1
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCSC1 O=C([O-])[*:1] Cc1ccc(cc1S(=O)(=O)N(C)[C@H]1CCSC1)[*:1]
C=C(C)C[C@@H](O)c1ccc2ncccc2c1 C=C(C)C[*:1] O[C@@H](c1ccc2ncccc2c1)[*:1]
C=C(C)C[C@@H](O)c1ccc2ncccc2c1 C=C(C)[*:1] O[C@H](C[*:1])c1ccc2ncccc2c1
COC(=O)c1c(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)c(C)nn1C Clc1cccc(c1)O[*:1] COC(=O)c1c(NC(=O)c2ccc(C[*:1])o2)c(C)nn1C
COC(=O)c1c(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)c(C)nn1C Clc1cccc(c1)[*:1] COC(=O)c1c(NC(=O)c2ccc(CO[*:1])o2)c(C)nn1C
COC(=O)c1c(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)c(C)nn1C Clc1cccc(c1)OC[*:1] COC(=O)c1c(NC(=O)c2ccc(o2)[*:1])c(C)nn1C
COC(=O)c1c(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)c(C)nn1C COC(=O)[*:1] Cc1nn(C)c(c1NC(=O)c1ccc(COc2cccc(Cl)c2)o1)[*:1]
CN(c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(F)cc1 NC(=O)[*:1] CN(c1ccc(cc1)OC[*:1])S(=O)(=O)c1ccc(F)cc1
CN(c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(F)cc1 NC(=O)C[*:1] CN(c1ccc(cc1)O[*:1])S(=O)(=O)c1ccc(F)cc1
CN(c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(c1ccc(cc1)OCC(N)=O)S(=O)(=O)[*:1]
CN(c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(F)cc1 NC(=O)CO[*:1] CN(c1ccc(cc1)[*:1])S(=O)(=O)c1ccc(F)cc1
Cc1nnc(N2CCC[C@H](c3nncn3C3CC3)C2)s1 C1CC1[*:1] Cc1nnc(s1)N1CCC[C@@H](C1)c1nncn1[*:1]
Cc1nnc(N2CCC[C@H](c3nncn3C3CC3)C2)s1 Cc1nnc(s1)[*:1] c1nnc([C@H]2CCCN(C2)[*:1])n1C1CC1
C=CCn1c(=S)sc2c(=O)n([C@H]3C=CCCC3)cnc21 C=CC[*:1] O=c1c2sc(=S)n(c2ncn1[C@H]1C=CCCC1)[*:1]
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)cc1OC NC(=O)C[*:1] COc1ccc(cc1OC)CCN1C(=O)[C@@H]2[C@H](N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O)[*:1]
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)cc1OC COc1ccc(cc1OC)C[*:1] Cc1cccc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(C[*:1])C(=O)[C@H]21
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)cc1OC NC(=O)[*:1] COc1ccc(cc1OC)CCN1C(=O)[C@@H]2[C@H](C[*:1])N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)cc1OC COc1ccc(cc1OC)CC[*:1] Cc1cccc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(C(=O)[C@H]21)[*:1]
COc1ccc(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)cc1OC COc1ccc(cc1OC)[*:1] Cc1cccc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CC[*:1])C(=O)[C@H]21
Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)o2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(-c2ccc(o2)C(=O)Nc2ccc(cc2)-c2ccc(CO)o2)c(c1)[*:1]
Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)o2)c([N+](=O)[O-])c1 OCc1ccc(o1)[*:1] Cc1ccc(-c2ccc(o2)C(=O)Nc2ccc(cc2)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)o2)c([N+](=O)[O-])c1 Cc1ccc(c(c1)[N+](=O)[O-])[*:1] O=C(Nc1ccc(cc1)-c1ccc(CO)o1)c1ccc(o1)[*:1]
C[C@@H](C1CC1)N(C(=O)NCc1ccc(S(N)(=O)=O)cc1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)NCc1ccc(cc1)S(N)(=O)=O)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)NCc1ccc(S(N)(=O)=O)cc1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)NCc1ccc(cc1)S(N)(=O)=O)[*:1]
C[C@@H](C1CC1)N(C(=O)NCc1ccc(S(N)(=O)=O)cc1)C1CC1 NS(=O)(=O)[*:1] C[C@@H](C1CC1)N(C(=O)NCc1ccc(cc1)[*:1])C1CC1
Cc1oc(-c2ccccc2)nc1CC(=O)N(C)Cc1ccc(Cl)nc1 Clc1ccc(cn1)C[*:1] Cc1oc(nc1CC(=O)N(C)[*:1])-c1ccccc1
Cc1oc(-c2ccccc2)nc1CC(=O)N(C)Cc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] Cc1oc(nc1CC(=O)N(C)C[*:1])-c1ccccc1
Cc1oc(-c2ccccc2)nc1CC(=O)N(C)Cc1ccc(Cl)nc1 c1ccc(cc1)[*:1] Cc1oc(nc1CC(=O)N(C)Cc1ccc(Cl)nc1)[*:1]
CC(C)C[C@@]1(c2ccc(F)c(F)c2)CCC[NH2+]1 CC(C)C[*:1] Fc1ccc(cc1F)[C@]1(CCC[NH2+]1)[*:1]
CC(C)C[C@@]1(c2ccc(F)c(F)c2)CCC[NH2+]1 CC(C)[*:1] Fc1ccc(cc1F)[C@@]1(CCC[NH2+]1)C[*:1]
Cc1cccc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1O Cc1cccc(c1O)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c[nH+]1)CNC(=O)[*:1]
COc1cc(-n2c(NNC(=O)c3ccc(Cl)cc3)nc3ccccc3c2=O)cc(OC)c1OC O=C(NN[*:1])c1ccc(Cl)cc1 COc1cc(cc(OC)c1OC)-n1c(nc2ccccc2c1=O)[*:1]
COc1cc(-n2c(NNC(=O)c3ccc(Cl)cc3)nc3ccccc3c2=O)cc(OC)c1OC Clc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-n1c(nc2ccccc2c1=O)NNC(=O)[*:1]
CCN(C(=O)c1nnn(Cc2nsnc2C)c1C)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1nnn(Cc2nsnc2C)c1C)[*:1]
CCN(C(=O)c1nnn(Cc2nsnc2C)c1C)c1ccccc1 Cc1nsnc1C[*:1] CCN(C(=O)c1nnn(c1C)[*:1])c1ccccc1
CCN(C(=O)c1nnn(Cc2nsnc2C)c1C)c1ccccc1 Cc1nsnc1[*:1] CCN(C(=O)c1nnn(C[*:1])c1C)c1ccccc1
C[C@H]1COC[C@H](C)N1CC(=O)Nc1ccccc1SCC#N N#CCS[*:1] C[C@H]1COC[C@H](C)N1CC(=O)Nc1ccccc1[*:1]
C[C@H]1COC[C@H](C)N1CC(=O)Nc1ccccc1SCC#N N#CC[*:1] C[C@H]1COC[C@H](C)N1CC(=O)Nc1ccccc1S[*:1]
Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)N1CCN(CC1)c1ccc(nn1)-n1ccnc1)[*:1]
Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N1CCN(CC1)c1ccc(nn1)-n1ccnc1
Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)c1 c1cn(cn1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)Cc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COC(=O)c1cccc2c1CCCN2C(=O)[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)Cc1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)CC(=O)N1CCCc2c1cccc2[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)c1cccc2c1CCCN2C(=O)C[*:1]
FC(F)(F)c1ccc(O[C@@H]2CCN(CCn3cccn3)C2)nc1 c1cnn(c1)C[*:1] FC(F)(F)c1ccc(nc1)O[C@@H]1CCN(C1)C[*:1]
FC(F)(F)c1ccc(O[C@@H]2CCN(CCn3cccn3)C2)nc1 c1cnn(c1)CC[*:1] FC(F)(F)c1ccc(nc1)O[C@@H]1CCN(C1)[*:1]
FC(F)(F)c1ccc(O[C@@H]2CCN(CCn3cccn3)C2)nc1 FC(F)(F)[*:1] c1cnn(c1)CCN1CC[C@H](C1)Oc1ccc(cn1)[*:1]
FC(F)(F)c1ccc(O[C@@H]2CCN(CCn3cccn3)C2)nc1 c1cnn(c1)[*:1] FC(F)(F)c1ccc(nc1)O[C@@H]1CCN(CC[*:1])C1
COc1cc(C[NH+]2CCC(N(C)C)CC2)ccc1OCc1cccs1 c1csc(c1)CO[*:1] COc1cc(ccc1[*:1])C[NH+]1CCC(CC1)N(C)C
COc1cc(C[NH+]2CCC(N(C)C)CC2)ccc1OCc1cccs1 c1csc(c1)C[*:1] COc1cc(ccc1O[*:1])C[NH+]1CCC(CC1)N(C)C
COc1cc(C[NH+]2CCC(N(C)C)CC2)ccc1OCc1cccs1 c1csc(c1)[*:1] COc1cc(ccc1OC[*:1])C[NH+]1CCC(CC1)N(C)C
COc1cc(C[NH+]2CCC(N(C)C)CC2)ccc1OCc1cccs1 CN(C)[*:1] COc1cc(ccc1OCc1cccs1)C[NH+]1CCC(CC1)[*:1]
Cc1cccc(-c2noc(-c3ccccc3NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1-c1nc(no1)[*:1])[C@@H]1CC(=O)N(Cc2ccccc2)C1
Cc1cccc(-c2noc(-c3ccccc3NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)-c1noc(n1)-c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(-c2noc(-c3ccccc3NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1noc(n1)-c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CC(C)Cn1cc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cn1 CC(C)C[*:1] CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cnn(c1)[*:1]
CC(C)Cn1cc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cn1 CC(C)[*:1] CC(C)Cn1cc(cn1)NC(=O)[C@H](NC(=O)c1ccco1)[*:1]
CC(C)Cn1cc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cn1 c1coc(c1)[*:1] CC(C)Cn1cc(cn1)NC(=O)[C@H](NC(=O)[*:1])C(C)C
CC(C)Cn1cc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cn1 CC(C)[*:1] CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cnn(c1)C[*:1]
CC(C)Cn1cc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cn1 O=C(N[*:1])c1ccco1 CC(C)Cn1cc(cn1)NC(=O)[C@H](C(C)C)[*:1]
CCNc1ccnc(-c2ccc(OC)nc2)n1 CCN[*:1] COc1ccc(cn1)-c1nccc(n1)[*:1]
Nc1oc2ccc(F)cc2c(=O)c1[C@@H]1N[C@H](C(=O)[O-])CS1 O=C([O-])[*:1] Nc1oc2ccc(F)cc2c(=O)c1[C@@H]1N[C@H](CS1)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 C1CCC(C1)O[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 CCCNC(=O)[*:1] O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)N1CCC[C@H](C1)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 CCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 C1CCC(C1)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
COCC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(Cl)cc1 COC[*:1] C[C@@H]([NH2+][C@H](C[*:1])c1ccc(Cl)cc1)C1CCOCC1
COCC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(Cl)cc1 COCC[*:1] C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)[*:1])C1CCOCC1
COCC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCC[C@@H]([NH2+][C@H](C)C1CCOCC1)[*:1]
COCC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(Cl)cc1 C1CC(CCO1)[*:1] COCC[C@@H]([NH2+][C@H](C)[*:1])c1ccc(Cl)cc1
C=CCCC(=O)/C(C#N)=C(\[O-])Nc1ccc(OC)c(Cl)c1 C=CCC[*:1] COc1ccc(cc1Cl)N/C([O-])=C(\C#N)C(=O)[*:1]
C=CCCC(=O)/C(C#N)=C(\[O-])Nc1ccc(OC)c(Cl)c1 C=CC[*:1] COc1ccc(cc1Cl)N/C([O-])=C(\C#N)C(=O)C[*:1]
C=CCCC(=O)/C(C#N)=C(\[O-])Nc1ccc(OC)c(Cl)c1 C=CCCC(=O)[*:1] COc1ccc(cc1Cl)NC([O-])=C(C#N)[*:1]
COc1cc(CC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)ccc1C NC(=O)[*:1] COc1cc(ccc1C)CC(=O)N1CC[C@@H](c2ccccc21)[*:1]
COc1ccc(-c2nc(-c3ccc(C(=O)N4CCN(c5ccccc5F)CC4)s3)no2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-c1nc(no1)-c1ccc(s1)C(=O)N1CCN(CC1)[*:1]
COc1ccc(-c2nc(-c3ccc(C(=O)N4CCN(c5ccccc5F)CC4)s3)no2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(s1)-c1noc(n1)[*:1])N1CCN(CC1)c1ccccc1F
C=C(C)[C@@H]([NH2+]CC)[C@@H]1CC[C@H](CC)C1 C=C(C)[*:1] CC[NH2+][C@@H]([C@@H]1CC[C@H](CC)C1)[*:1]
CCC(C)(C)NC(=O)C[C@@H](C)c1cccc(OC)c1 CCC(C)(C)[*:1] COc1cccc(c1)[C@H](C)CC(=O)N[*:1]
CCCNC(=O)c1cccc(NCc2ccccc2C)c1 Cc1ccccc1[*:1] CCCNC(=O)c1cccc(c1)NC[*:1]
CCCNC(=O)c1cccc(NCc2ccccc2C)c1 CCC[*:1] Cc1ccccc1CNc1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(NCc2ccccc2C)c1 CCCNC(=O)[*:1] Cc1ccccc1CNc1cccc(c1)[*:1]
O=C(OCCCS(=O)(=O)c1ccc(Cl)cc1)c1cc[n+]([O-])cc1 Clc1ccc(cc1)[*:1] O=C(OCCCS(=O)(=O)[*:1])c1cc[n+]([O-])cc1
O=C(OCCCS(=O)(=O)c1ccc(Cl)cc1)c1cc[n+]([O-])cc1 [O-][n+]1ccc(cc1)[*:1] O=C(OCCCS(=O)(=O)c1ccc(Cl)cc1)[*:1]
Cc1nc2ccccc2n1CCNC(=O)CNC(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] Cc1nc2ccccc2n1CCNC(=O)CNC(=O)[*:1]
CC(C)C[C@H](C)[NH2+]Cc1nnc(-c2ccccc2Br)o1 CC(C)[*:1] C[C@@H](C[*:1])[NH2+]Cc1nnc(o1)-c1ccccc1Br
CC(C)C[C@H](C)[NH2+]Cc1nnc(-c2ccccc2Br)o1 CC(C)C[*:1] C[C@H]([NH2+]Cc1nnc(o1)-c1ccccc1Br)[*:1]
O=C(NC1(C(=O)[O-])CCCCC1)c1ccncc1Cl O=C([O-])[*:1] O=C(NC1(CCCCC1)[*:1])c1ccncc1Cl
Cc1c(C(=O)O[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)sc2nc3n(c(=O)c12)CCC3 c1ccc(cc1)C[*:1] Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)O[C@H](C)C(=O)N1CCN(CC1)[*:1]
Cc1c(C(=O)O[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)sc2nc3n(c(=O)c12)CCC3 c1ccc(cc1)[*:1] Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)O[C@H](C)C(=O)N1CCN(CC1)C[*:1]
Cn1c(CNc2ccccc2OCC(F)F)nnc1-c1ccccc1 FC(F)C[*:1] Cn1c(CNc2ccccc2O[*:1])nnc1-c1ccccc1
Cn1c(CNc2ccccc2OCC(F)F)nnc1-c1ccccc1 FC(F)CO[*:1] Cn1c(CNc2ccccc2[*:1])nnc1-c1ccccc1
Cn1c(CNc2ccccc2OCC(F)F)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(CNc2ccccc2OCC(F)F)nnc1[*:1]
Cn1c(CNc2ccccc2OCC(F)F)nnc1-c1ccccc1 FC(F)[*:1] Cn1c(CNc2ccccc2OC[*:1])nnc1-c1ccccc1
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)c(F)c1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1F)[*:1])N1CCO[C@H]2CCCC[C@@H]21
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1C(=O)[O-] O=C([O-])[*:1] COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1[*:1]
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1C(=O)[O-] Clc1ccc(c(Cl)c1)[*:1] COc1ccc(/C=N/NC(=O)[*:1])cc1C(=O)[O-]
C[C@H](Sc1ccccc1)C(=O)N1CCOC[C@H]1C c1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)N1CCOC[C@H]1C
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cn[nH]c1 c1n[nH]cc1[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[*:1]
Cc1ccc2ncc(C(=O)N[C@H]3CCOC3)n2c1 C1C[C@@H](CO1)[*:1] Cc1ccc2ncc(C(=O)N[*:1])n2c1
ClC1(Cl)C[C@H]1CSCCN1CCOCC1 ClC1(Cl)C[C@@H]1[*:1] C1CN(CCO1)CCSC[*:1]
C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@H](Sc1nnc(o1)-c1cccs1)C(=O)NC[*:1]
C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)NCC(F)(F)F c1csc(c1)[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)NCC(F)(F)F
C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@H](Sc1nnc(o1)-c1cccs1)C(=O)N[*:1]
CCOC(=O)c1cc(S(=O)(=O)NCc2ccc[nH]2)ccc1F c1c[nH]c(c1)[*:1] CCOC(=O)c1cc(ccc1F)S(=O)(=O)NC[*:1]
CCOC(=O)c1cc(S(=O)(=O)NCc2ccc[nH]2)ccc1F c1c[nH]c(c1)C[*:1] CCOC(=O)c1cc(ccc1F)S(=O)(=O)N[*:1]
CCOC(=O)c1cc(S(=O)(=O)NCc2ccc[nH]2)ccc1F CCOC(=O)[*:1] O=S(=O)(NCc1ccc[nH]1)c1ccc(F)c(c1)[*:1]
CC(C)C[NH+]1CCC(NC(=O)N(Cc2ccoc2)C2CCCCC2)CC1 C1CCC(CC1)[*:1] CC(C)C[NH+]1CCC(CC1)NC(=O)N(Cc1ccoc1)[*:1]
CC(C)C[NH+]1CCC(NC(=O)N(Cc2ccoc2)C2CCCCC2)CC1 c1cc(co1)C[*:1] CC(C)C[NH+]1CCC(CC1)NC(=O)N(C1CCCCC1)[*:1]
CC(C)C[NH+]1CCC(NC(=O)N(Cc2ccoc2)C2CCCCC2)CC1 CC(C)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])N(Cc1ccoc1)C1CCCCC1
CC(C)C[NH+]1CCC(NC(=O)N(Cc2ccoc2)C2CCCCC2)CC1 c1cc(co1)[*:1] CC(C)C[NH+]1CCC(CC1)NC(=O)N(C[*:1])C1CCCCC1
CC(C)C[NH+]1CCC(NC(=O)N(Cc2ccoc2)C2CCCCC2)CC1 CC(C)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])N(Cc1ccoc1)C1CCCCC1
CC[NH2+][C@@H](c1cccc(OC(C)C)c1)[C@H](C)CC CC(C)[*:1] CC[NH2+][C@@H](c1cccc(c1)O[*:1])[C@H](C)CC
CC[NH2+][C@@H](c1cccc(OC(C)C)c1)[C@H](C)CC CC(C)O[*:1] CC[NH2+][C@@H](c1cccc(c1)[*:1])[C@H](C)CC
CC[NH2+][C@@H](c1cccc(OC(C)C)c1)[C@H](C)CC CC[C@@H](C)[*:1] CC[NH2+][C@@H](c1cccc(c1)OC(C)C)[*:1]
CC(C)(C)[C@H](NC(=O)CSCC(F)(F)F)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NC(=O)CSCC(F)(F)F)[*:1]
CC(C)(C)[C@H](NC(=O)CSCC(F)(F)F)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NC(=O)CSCC(F)(F)F)[*:1]
CC(C)(C)[C@H](NC(=O)CSCC(F)(F)F)C(N)=O FC(F)(F)[*:1] CC(C)(C)[C@H](NC(=O)CSC[*:1])C(N)=O
CC(C)(C)[C@H](NC(=O)CSCC(F)(F)F)C(N)=O FC(F)(F)CS[*:1] CC(C)(C)[C@H](NC(=O)C[*:1])C(N)=O
CC(C)(C)[C@H](NC(=O)CSCC(F)(F)F)C(N)=O FC(F)(F)C[*:1] CC(C)(C)[C@H](NC(=O)CS[*:1])C(N)=O
CC[C@H](NC(=O)N[C@H]1CCc2c(O)cccc21)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)N[C@H]1CCc2c(O)cccc21)[*:1]
Cc1cc(C)n2nc(SCC(=O)N3CCN(Cc4ccccc4C)CC3)nc2n1 Cc1ccccc1[*:1] Cc1cc(C)n2nc(nc2n1)SCC(=O)N1CCN(CC1)C[*:1]
Cc1cc(C)n2nc(SCC(=O)N3CCN(Cc4ccccc4C)CC3)nc2n1 Cc1ccccc1C[*:1] Cc1cc(C)n2nc(nc2n1)SCC(=O)N1CCN(CC1)[*:1]
Nc1nc2ncc3c(n2n1)C[C@@H](c1ccccc1)CC3=O c1ccc(cc1)[*:1] Nc1nc2ncc3C(=O)C[C@H](Cc3n2n1)[*:1]
CN(C)N(C(=O)[C@]1(C)CC1(Cl)Cl)[C@H]1CCS(=O)(=O)C1 C[C@@]1(CC1(Cl)Cl)[*:1] CN(C)N(C(=O)[*:1])[C@H]1CCS(=O)(=O)C1
CCc1nn2c(c1-c1cccc(OC)c1)NC(=O)[C@@H]2CC(=O)Nc1ccc(C(C)=O)cc1 COc1cccc(c1)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2ccc(cc2)C(C)=O)c1[*:1]
CCc1nn2c(c1-c1cccc(OC)c1)NC(=O)[C@@H]2CC(=O)Nc1ccc(C(C)=O)cc1 CC(=O)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2ccc(cc2)[*:1])c1-c1cccc(c1)OC
CCc1nn2c(c1-c1cccc(OC)c1)NC(=O)[C@@H]2CC(=O)Nc1ccc(C(C)=O)cc1 CC(=O)c1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)N[*:1])c1-c1cccc(c1)OC
C[NH2+][C@H](C=C(C)C)c1ccc(Br)cc1 CC(C)=C[*:1] C[NH2+][C@H](c1ccc(Br)cc1)[*:1]
O=C(CN1CCC2=NN=C[C@H]2C1)NCc1ccccc1F Fc1ccccc1[*:1] O=C(CN1CCC2=NN=C[C@H]2C1)NC[*:1]
Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2)CCC3)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2)CCC3)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccccc3)c21)C(=O)N[*:1]
O=C([O-])COCC[NH+]1CCCC1 O=C([O-])C[*:1] C1CC[NH+](C1)CCO[*:1]
O=C([O-])COCC[NH+]1CCCC1 O=C([O-])[*:1] C1CC[NH+](C1)CCOC[*:1]
CCOc1ccc(F)c(C(=O)OCC(C)(C)C2OCC(C)(C)CO2)c1F CCO[*:1] CC1(C)COC(OC1)C(C)(C)COC(=O)c1c(F)ccc(c1F)[*:1]
C[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccc(cc1)[*:1]
C[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccc(C(C)(C)C)cc1 C[S@](=O)[*:1] C[C@H]([NH2+]C[C@@H](C)[*:1])c1ccc(cc1)C(C)(C)C
O=C(NCC1CCC1)c1ccc(COc2cccc(Cl)c2)o1 C1CC(C1)[*:1] O=C(NC[*:1])c1ccc(COc2cccc(Cl)c2)o1
O=C(NCC1CCC1)c1ccc(COc2cccc(Cl)c2)o1 C1CC(C1)C[*:1] O=C(N[*:1])c1ccc(COc2cccc(Cl)c2)o1
O=C(NCC1CCC1)c1ccc(COc2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] O=C(NCC1CCC1)c1ccc(CO[*:1])o1
O=C(NNC(=O)c1c(F)cccc1Cl)c1ccccc1F Fc1ccccc1[*:1] O=C(NNC(=O)[*:1])c1c(F)cccc1Cl
CCCNC(=O)C1(NCc2cnn(-c3ccccc3)n2)CCCCC1 CCCNC(=O)[*:1] c1ccc(cc1)-n1ncc(CNC2(CCCCC2)[*:1])n1
CCCNC(=O)C1(NCc2cnn(-c3ccccc3)n2)CCCCC1 CCC[*:1] O=C(N[*:1])C1(CCCCC1)NCc1cnn(n1)-c1ccccc1
CCCNC(=O)C1(NCc2cnn(-c3ccccc3)n2)CCCCC1 c1ccc(cc1)[*:1] CCCNC(=O)C1(CCCCC1)NCc1cnn(n1)[*:1]
NNC(=O)Cc1nnc(-c2ccc(Cl)cc2)o1 NNC(=O)[*:1] Clc1ccc(cc1)-c1nnc(C[*:1])o1
NNC(=O)Cc1nnc(-c2ccc(Cl)cc2)o1 NNC(=O)C[*:1] Clc1ccc(cc1)-c1nnc(o1)[*:1]
O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1cc2[nH]c(=O)[nH]c2cc1Br C1CC1[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])Nc1cc2[nH]c(=O)[nH]c2cc1Br
O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1cc2[nH]c(=O)[nH]c2cc1Br c1ccc(cc1)[*:1] O=C(CSc1nnc(C2CC2)n1[*:1])Nc1cc2[nH]c(=O)[nH]c2cc1Br
Cn1ccc(C(=O)Nc2nnc(-c3ccco3)o2)n1 Cn1ccc(n1)[*:1] O=C(Nc1nnc(o1)-c1ccco1)[*:1]
Cn1ccc(C(=O)Nc2nnc(-c3ccco3)o2)n1 c1coc(c1)[*:1] Cn1ccc(n1)C(=O)Nc1nnc(o1)[*:1]
COc1cccc(C(=O)Oc2c(CN3CC[NH+](C)CC3)cc(Cl)c3cccnc23)c1 COc1cccc(c1)[*:1] C[NH+]1CCN(CC1)Cc1cc(Cl)c2cccnc2c1OC(=O)[*:1]
CCCCCNC(=O)C1CCN(C(=O)NCC(F)(F)F)CC1 CCCC[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)NCC(F)(F)F
CCCCCNC(=O)C1CCN(C(=O)NCC(F)(F)F)CC1 FC(F)(F)[*:1] CCCCCNC(=O)C1CCN(CC1)C(=O)NC[*:1]
CCCCCNC(=O)C1CCN(C(=O)NCC(F)(F)F)CC1 FC(F)(F)C[*:1] CCCCCNC(=O)C1CCN(CC1)C(=O)N[*:1]
CCCCCNC(=O)C1CCN(C(=O)NCC(F)(F)F)CC1 CCC[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)NCC(F)(F)F
CCCCCNC(=O)C1CCN(C(=O)NCC(F)(F)F)CC1 CCCCC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)NCC(F)(F)F
CNC(=O)NCC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] CNC(=O)NCC(=O)N[C@@H]1C[C@H]1[*:1]
CNC(=O)NCC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 CNC(=O)NC[*:1] O=C(N[C@@H]1C[C@@H]1C1CCCCC1)[*:1]
CNC(=O)NCC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 CNC(=O)N[*:1] O=C(C[*:1])N[C@@H]1C[C@@H]1C1CCCCC1
CCc1noc(C)c1NC(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CCc1noc(C)c1NC(=O)c1cc(ccc1Cl)[*:1]
CCc1noc(C)c1NC(=O)c1cc(N2CCCC2=O)ccc1Cl CCc1noc(C)c1[*:1] O=C(N[*:1])c1cc(ccc1Cl)N1CCCC1=O
N#Cc1cc(C(=O)c2ccccc2)[nH]c1N1CCN(c2ccccc2)CC1 O=C(c1ccccc1)[*:1] N#Cc1cc([nH]c1N1CCN(CC1)c1ccccc1)[*:1]
N#Cc1cc(C(=O)c2ccccc2)[nH]c1N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] N#Cc1cc([nH]c1N1CCN(CC1)c1ccccc1)C(=O)[*:1]
N#Cc1cc(C(=O)c2ccccc2)[nH]c1N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] N#Cc1cc([nH]c1N1CCN(CC1)[*:1])C(=O)c1ccccc1
CCCCn1nc(C(=O)Nc2ccc(N3CCOCC3)nc2)ccc1=O CCC[*:1] O=C(Nc1ccc(nc1)N1CCOCC1)c1ccc(=O)n(C[*:1])n1
CCCCn1nc(C(=O)Nc2ccc(N3CCOCC3)nc2)ccc1=O C1CN(CCO1)[*:1] CCCCn1nc(ccc1=O)C(=O)Nc1ccc(nc1)[*:1]
CCCCn1nc(C(=O)Nc2ccc(N3CCOCC3)nc2)ccc1=O CCCC[*:1] O=C(Nc1ccc(nc1)N1CCOCC1)c1ccc(=O)n(n1)[*:1]
CC(C)C[C@H](CNC(=O)[C@H]1CCCCC[C@H]1[NH3+])CC(=O)[O-] CC(C)[*:1] [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@H](CC(=O)[O-])C[*:1]
CC(C)C[C@H](CNC(=O)[C@H]1CCCCC[C@H]1[NH3+])CC(=O)[O-] CC(C)C[*:1] [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@H](CC(=O)[O-])[*:1]
CC(C)C[C@H](CNC(=O)[C@H]1CCCCC[C@H]1[NH3+])CC(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)[C@H]1CCCCC[C@H]1[NH3+])C[*:1]
CC(C)C[C@H](CNC(=O)[C@H]1CCCCC[C@H]1[NH3+])CC(=O)[O-] O=C([O-])C[*:1] CC(C)C[C@H](CNC(=O)[C@H]1CCCCC[C@H]1[NH3+])[*:1]
Fc1ccc(C2=C[C@@H](c3nnco3)N=N2)cc1 c1nnc(o1)[*:1] Fc1ccc(cc1)C1=C[C@@H](N=N1)[*:1]
CC(=O)c1ccc(N2CCN(Cc3ccc(C)s3)CC2)cc1 Cc1ccc(C[*:1])s1 CC(=O)c1ccc(cc1)N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(Cc3ccc(C)s3)CC2)cc1 Cc1ccc(s1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C[*:1]
CC(=O)c1ccc(N2CCN(Cc3ccc(C)s3)CC2)cc1 CC(=O)[*:1] Cc1ccc(CN2CCN(CC2)c2ccc(cc2)[*:1])s1
CCCCn1c([S@@](=O)Cc2nc3ccccc3s2)n[nH]c1=O CCCC[*:1] O=c1[nH]nc(n1[*:1])[S@@](=O)Cc1nc2ccccc2s1
CCCCn1c([S@@](=O)Cc2nc3ccccc3s2)n[nH]c1=O CCC[*:1] O=c1[nH]nc(n1C[*:1])[S@@](=O)Cc1nc2ccccc2s1
CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1 Clc1cccc2sc(nc12)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccccn1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1 c1ccc(C[*:1])nc1 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N(c1nc2c(Cl)cccc2s1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1 c1ccc(nc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N(C[*:1])c1nc2c(Cl)cccc2s1
CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1 CN(C)S(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccccn1)c1nc2c(Cl)cccc2s1
CCCc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n(C)n1 CCCc1cc(n(C)n1)[*:1] O=C(N[C@@H]1CCC[C@H]1c1ccc(F)cc1)C(=O)N[*:1]
CCCc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1)[*:1]
CCCc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n(C)n1 Fc1ccc(cc1)[*:1] CCCc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2[*:1])n(C)n1
CC(=O)NNC(=O)CSc1nnc2c(C)cc3cc(C)c(C)cc3n12 CC(=O)NNC(=O)C[*:1] Cc1cc2cc(C)c3nnc(S[*:1])n3c2cc1C
CC(=O)NNC(=O)CSc1nnc2c(C)cc3cc(C)c(C)cc3n12 CC(=O)NNC(=O)[*:1] Cc1cc2cc(C)c3nnc(SC[*:1])n3c2cc1C
COc1ccc2cc(CNC(=O)[C@H](C)NS(=O)(=O)c3cccc(Cl)c3)ccc2c1 Clc1cccc(c1)[*:1] COc1ccc2cc(ccc2c1)CNC(=O)[C@H](C)NS(=O)(=O)[*:1]
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COCCOC(=O)C1=C(C)NC2CCCC(=O)C=2[C@@H]1[*:1]
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 COCC[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)O[*:1])c1ccc(cc1)[N+](=O)[O-]
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 COCCOC(=O)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1[*:1])c1ccc(cc1)[N+](=O)[O-]
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 COC[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)OC[*:1])c1ccc(cc1)[N+](=O)[O-]
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COCCOC(=O)C1=C(C)NC2CCCC(=O)C=2[C@H]1c1ccc(cc1)[*:1]
CCN(CC)C(=O)Nc1nn(-c2ccccc2Cl)cc1C Clc1ccccc1[*:1] CCN(CC)C(=O)Nc1nn(cc1C)[*:1]
CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC(F)F)CCS1 FC(F)[*:1] CC[C@@H]1CN(CCS1)C(=O)Nc1ccc(F)cc1OC[*:1]
CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC(F)F)CCS1 FC(F)C[*:1] CC[C@@H]1CN(CCS1)C(=O)Nc1ccc(F)cc1O[*:1]
CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC(F)F)CCS1 FC(F)CO[*:1] CC[C@@H]1CN(CCS1)C(=O)Nc1ccc(F)cc1[*:1]
CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1[*:1]
CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1-c1ccccc1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccccc1-c1ccccc1
CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1-c1ccccc1 Fc1ccccc1C[*:1] CN(C(=O)C(=O)Nc1ccccc1-c1ccccc1)[*:1]
COCCNS(=O)(=O)c1cc(OC)c(C)cc1OC COC[*:1] COc1cc(c(cc1C)OC)S(=O)(=O)NC[*:1]
COCCNS(=O)(=O)c1cc(OC)c(C)cc1OC COCC[*:1] COc1cc(c(cc1C)OC)S(=O)(=O)N[*:1]
Cc1ccc2ncc(C(=O)N3CCCN(C(=O)C(C)(C)C)CC3)n2c1 CC(C)(C)[*:1] Cc1ccc2ncc(C(=O)N3CCCN(CC3)C(=O)[*:1])n2c1
CCOC(=O)C1=C(CN2CCc3c(F)ccc(F)c3C2)NC(=O)N[C@H]1C CCOC(=O)[*:1] C[C@@H]1NC(=O)NC(CN2CCc3c(F)ccc(F)c3C2)=C1[*:1]
Cc1cccc([C@H](C(=O)NCCn2cccc2)N(C)C)c1 Cc1cccc(c1)[*:1] CN(C)[C@@H](C(=O)NCCn1cccc1)[*:1]
Cc1cccc([C@H](C(=O)NCCn2cccc2)N(C)C)c1 CN(C)[*:1] Cc1cccc(c1)[C@H](C(=O)NCCn1cccc1)[*:1]
Cc1cccc([C@H](C(=O)NCCn2cccc2)N(C)C)c1 c1ccn(c1)C[*:1] Cc1cccc(c1)[C@H](C(=O)NC[*:1])N(C)C
Cc1cccc([C@H](C(=O)NCCn2cccc2)N(C)C)c1 c1ccn(c1)CC[*:1] Cc1cccc(c1)[C@H](C(=O)N[*:1])N(C)C
Cc1cccc([C@H](C(=O)NCCn2cccc2)N(C)C)c1 c1ccn(c1)[*:1] Cc1cccc(c1)[C@H](C(=O)NCC[*:1])N(C)C
O=[N+]([O-])c1ccc(SCc2c(F)cccc2Cl)nc1 O=[N+]([O-])[*:1] Fc1cccc(Cl)c1CSc1ccc(cn1)[*:1]
Cc1cccc([C@@H](CNC(=O)N(C)C[C@H](C)O)N2CCOCC2)c1 C[C@H](O)[*:1] Cc1cccc(c1)[C@@H](CNC(=O)N(C)C[*:1])N1CCOCC1
Cc1cccc([C@@H](CNC(=O)N(C)C[C@H](C)O)N2CCOCC2)c1 Cc1cccc(c1)[*:1] C[C@H](O)CN(C)C(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1cccc([C@@H](CNC(=O)N(C)C[C@H](C)O)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H](CNC(=O)N(C)C[C@H](C)O)[*:1]
Cc1cccc([C@@H](CNC(=O)N(C)C[C@H](C)O)N2CCOCC2)c1 C[C@H](O)C[*:1] Cc1cccc(c1)[C@@H](CNC(=O)N(C)[*:1])N1CCOCC1
CO[C@H]1CC[C@H]2OCCN(c3cncc(C(N)=O)n3)[C@@H]2C1 NC(=O)[*:1] CO[C@H]1CC[C@H]2OCCN(c3cncc(n3)[*:1])[C@@H]2C1
CSCC[C@@H](C)NC(=O)C(=O)Nc1cc(C)ccc1C CSCC[C@@H](C)[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)N[*:1]
CSCC[C@@H](C)NC(=O)C(=O)Nc1cc(C)ccc1C CSCC[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)N[C@H](C)[*:1]
CSCC[C@@H](C)NC(=O)C(=O)Nc1cc(C)ccc1C CSC[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)N[C@H](C)C[*:1]
CCn1ccnc1S(=O)(=O)[C@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 CCn1ccnc1[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@@H](C)S(=O)(=O)[*:1]
C[C@H](Sc1ccccc1)C(=O)NCCNC(=O)c1cccnc1 c1cncc(c1)[*:1] C[C@H](Sc1ccccc1)C(=O)NCCNC(=O)[*:1]
C[C@H](Sc1ccccc1)C(=O)NCCNC(=O)c1cccnc1 c1ccc(cc1)S[*:1] C[C@H](C(=O)NCCNC(=O)c1cccnc1)[*:1]
C[C@H](Sc1ccccc1)C(=O)NCCNC(=O)c1cccnc1 c1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)NCCNC(=O)c1cccnc1
O=C(CN1C(=O)COc2ccc(Cl)cc21)NOCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)COc2ccc(Cl)cc21)NOC[*:1]
O=C(CN1C(=O)COc2ccc(Cl)cc21)NOCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)COc2ccc(Cl)cc21)NO[*:1]
COc1ccc(Br)c(C(=O)N2CCN([C@H](C)C(N)=O)CC2)c1 NC(=O)[*:1] COc1ccc(Br)c(c1)C(=O)N1CCN(CC1)[C@H](C)[*:1]
COc1ccc(Br)c(C(=O)N2CCN([C@H](C)C(N)=O)CC2)c1 C[C@H](C(N)=O)[*:1] COc1ccc(Br)c(c1)C(=O)N1CCN(CC1)[*:1]
C[C@H](N[C@@H](C)c1nc2c(s1)CCCC2)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](N[C@@H](C)c1nc2CCCCc2s1)C(=O)N[*:1]
C[C@H](N[C@@H](C)c1nc2c(s1)CCCC2)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](N[C@@H](C)c1nc2CCCCc2s1)C(=O)NC[*:1]
O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 Fc1cccc(c1)[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])c1cccc(c1)C(F)(F)F
O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(N[C@H]1CC(=O)N(C1)c1cccc(F)c1)c1cccc(c1)[*:1]
C[C@@]1(NC(=O)CNC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3C2)CCS(=O)(=O)C1 C[C@]1(CCS(=O)(=O)C1)[*:1] O=C(CNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)N[*:1]
C[C@@H](O)CN1CC(=O)N2CCC[C@@H]2C1=O C[C@@H](O)[*:1] O=C1[C@H]2CCCN2C(=O)CN1C[*:1]
C[C@@H](O)CN1CC(=O)N2CCC[C@@H]2C1=O C[C@@H](O)C[*:1] O=C1CN(C(=O)[C@H]2CCCN12)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 CC(C)(C)OC[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 CC(C)(C)O[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)C(=O)Nc1ccc(cc1)C[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 CC(C)(C)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)C(=O)Nc1ccc(cc1)CO[*:1]
O=C([O-])c1cccn(C[C@H]2Cc3ccccc3S2)c1=O O=C([O-])[*:1] O=c1c(cccn1C[C@H]1Cc2ccccc2S1)[*:1]
Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 O=C(c1cccc(c1)[N+](=O)[O-])[*:1] Cc1ccc(c(C)c1)N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H]([C@@H]2C1=O)[*:1]
Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21)[*:1]
Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(c(C)c1)N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)[*:1])[C@@H]2C1=O
Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1)N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)c3cccc(c3)[*:1])[C@@H]2C1=O
CC(C)c1ccc(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 CC(C)[*:1] C[C@H](Nc1ccc(cc1)[*:1])C(=O)c1c(N)n(C)c(=O)n(C)c1=O
O=C([O-])c1ccc(NC2CC2)c(F)c1F O=C([O-])[*:1] Fc1c(ccc(c1F)[*:1])NC1CC1
O=C([O-])c1ccc(NC2CC2)c(F)c1F C1CC1[*:1] O=C([O-])c1ccc(N[*:1])c(F)c1F
O=C([O-])c1ccc(NC2CC2)c(F)c1F C1CC1N[*:1] O=C([O-])c1ccc(c(F)c1F)[*:1]
O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cnc2c(cnn2C2CCCC2)c1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCC[C@H]1OC[*:1])c1cnc2c(cnn2C2CCCC2)c1
O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cnc2c(cnn2C2CCCC2)c1 c1ccc(cc1)CO[*:1] O=C(N[C@@H]1CCC[C@@H]1[*:1])c1cnc2c(cnn2C2CCCC2)c1
O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cnc2c(cnn2C2CCCC2)c1 c1ccc(cc1)C[*:1] O=C(N[C@@H]1CCC[C@H]1O[*:1])c1cnc2c(cnn2C2CCCC2)c1
O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cnc2c(cnn2C2CCCC2)c1 C1CCC(C1)[*:1] O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cnc2c(cnn2[*:1])c1
O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H](CCO)C1CC1 O=[N+]([O-])[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])N[C@@H](CCO)C1CC1
O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H](CCO)C1CC1 C1CC1[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N[C@@H](CCO)[*:1]
O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H](CCO)C1CC1 OCC[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N[C@@H](C1CC1)[*:1]
CC(C)[C@H](CO)NC(=O)C[C@@H](C)O C[C@@H](O)C[*:1] CC(C)[C@H](CO)NC(=O)[*:1]
CC(C)[C@H](CO)NC(=O)C[C@@H](C)O C[C@@H](O)[*:1] CC(C)[C@H](CO)NC(=O)C[*:1]
CC(C)[C@H](CO)NC(=O)C[C@@H](C)O CC(C)[*:1] C[C@@H](O)CC(=O)N[C@@H](CO)[*:1]
[NH3+][C@H]1CC[C@H]2CC[C@@H](C(=O)NCCc3ccc(O)cc3)N2C1=O Oc1ccc(cc1)[*:1] [NH3+][C@H]1CC[C@H]2CC[C@@H](C(=O)NCC[*:1])N2C1=O
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)N[*:1]
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2)c(n1)[*:1])NCc1ccc(F)cc1
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)NC[*:1]
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(c(n1)-c1ccccc1)[*:1])NCc1ccc(F)cc1
Cc1ccc(OCc2nc(Cn3cc(Cl)c(=O)[nH]c3=O)cs2)cc1 Cc1ccc(cc1)O[*:1] O=c1[nH]c(=O)n(cc1Cl)Cc1csc(C[*:1])n1
Cc1ccc(OCc2nc(Cn3cc(Cl)c(=O)[nH]c3=O)cs2)cc1 Cc1ccc(cc1)[*:1] O=c1[nH]c(=O)n(cc1Cl)Cc1csc(CO[*:1])n1
Cc1cccc(NC(=O)CCNC(=O)N2CCC[C@@H]3CCC[C@H]32)n1 Cc1cccc(n1)[*:1] O=C(CCNC(=O)N1CCC[C@@H]2CCC[C@H]21)N[*:1]
CN(C)c1cc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)ccn1 c1ccc(cc1)[*:1] CN(C)c1cc(ccn1)C(=O)N1CCC(CC1)C(O)(c1ccccc1)[*:1]
CN(C)c1cc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)ccn1 CN(C)c1cc(ccn1)[*:1] O=C(N1CCC(CC1)C(O)(c1ccccc1)c1ccccc1)[*:1]
CN(C)c1cc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)ccn1 CN(C)[*:1] O=C(c1ccnc(c1)[*:1])N1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
C[C@H](CC1CCCC1)C(=O)NCCc1nc2ccccc2s1 C1CCC(C1)C[*:1] C[C@H](C(=O)NCCc1nc2ccccc2s1)[*:1]
C[C@H](CC1CCCC1)C(=O)NCCc1nc2ccccc2s1 C1CCC(C1)[*:1] C[C@H](C[*:1])C(=O)NCCc1nc2ccccc2s1
CCCN(CCO)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] CCCN(CCO)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CCCN(CCO)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 CCC[*:1] N#Cc1cccc(c1)NC(=O)c1cccc(c1)NC(=O)N(CCO)[*:1]
CCCN(CCO)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 OCC[*:1] CCCN(C(=O)Nc1cccc(c1)C(=O)Nc1cccc(C#N)c1)[*:1]
COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)CCC1CCCC1 C1CCC(C1)[*:1] COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)CC[*:1]
COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)CCC1CCCC1 C1CCC(C1)CC[*:1] COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)[*:1]
COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)CCC1CCCC1 COc1ccccc1[*:1] O=C(CCC1CCCC1)Nc1ccccc1[C@H]1SCC(=O)N1[*:1]
COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)CCC1CCCC1 O=C(CCC1CCCC1)N[*:1] COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1[*:1]
COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)CCC1CCCC1 C1CCC(C1)C[*:1] COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)C[*:1]
Cc1cccc(Oc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3cccs3)cc2)c1 Cc1cccc(c1)O[*:1] C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(Oc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3cccs3)cc2)c1 c1csc(c1)[*:1] Cc1cccc(c1)Oc1ccc(cc1)NC(=O)[C@H](C)NS(=O)(=O)[*:1]
Cc1cccc(Oc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3cccs3)cc2)c1 Cc1cccc(c1)[*:1] C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(cc1)O[*:1]
Cc1cccc(Oc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3cccs3)cc2)c1 O=S(=O)(N[*:1])c1cccs1 Cc1cccc(c1)Oc1ccc(cc1)NC(=O)[C@H](C)[*:1]
CCN(C(=O)[C@H](C)Nc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)[C@H](C)Nc1ccc(C)cc1OC)[*:1]
CC[C@@H](C)[C@@H](C[NH3+])N1CCc2ccccc2C1 CC[C@@H](C)[*:1] [NH3+]C[C@@H](N1CCc2ccccc2C1)[*:1]
CC(=O)c1ccc(SC(F)F)cc1 FC(F)[*:1] CC(=O)c1ccc(cc1)S[*:1]
CC(=O)c1ccc(SC(F)F)cc1 CC(=O)[*:1] FC(F)Sc1ccc(cc1)[*:1]
CC(=O)c1ccc(SC(F)F)cc1 FC(F)S[*:1] CC(=O)c1ccc(cc1)[*:1]
COCc1cccc(NS(=O)(=O)c2ccc(OC)c(C)c2)c1 COC[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1cccc(c1)[*:1]
COC(=O)c1ccn(C(=O)c2ccccc2C)n1 COC(=O)[*:1] Cc1ccccc1C(=O)n1ccc(n1)[*:1]
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2C2CCCCC2)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc3n(c(cn23)[*:1])C2CCCCC2)n(C)c1=O
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2C2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1[*:1]
CCC[NH2+][C@H](c1ccccc1F)c1cc(C)c(F)cc1F Fc1ccccc1[*:1] CCC[NH2+][C@H](c1cc(C)c(F)cc1F)[*:1]
CCC[NH2+][C@H](c1ccccc1F)c1cc(C)c(F)cc1F CCC[*:1] Cc1cc(c(F)cc1F)[C@H]([NH2+][*:1])c1ccccc1F
CCCOc1ccc(/C=N/c2c(C)n[nH]c2C)cc1OCC CCO[*:1] CCCOc1ccc(/C=N/c2c(C)n[nH]c2C)cc1[*:1]
CCCOc1ccc(/C=N/c2c(C)n[nH]c2C)cc1OCC Cc1n[nH]c(C)c1[*:1] CCCOc1ccc(C=N[*:1])cc1OCC
CCCOc1ccc(/C=N/c2c(C)n[nH]c2C)cc1OCC CCCO[*:1] CCOc1cc(/C=N/c2c(C)n[nH]c2C)ccc1[*:1]
CCCOc1ccc(/C=N/c2c(C)n[nH]c2C)cc1OCC CCC[*:1] CCOc1cc(/C=N/c2c(C)n[nH]c2C)ccc1O[*:1]
CC[C@H](c1cc(Cl)c(Cl)cc1[N+](=O)[O-])[C@H](C)[NH2+]C O=[N+]([O-])[*:1] CC[C@H](c1cc(Cl)c(Cl)cc1[*:1])[C@H](C)[NH2+]C
C[C@@H](c1ccon1)N(C)C(=O)c1cn(Cc2ccccc2F)nn1 c1cc(no1)[*:1] C[C@@H](N(C)C(=O)c1cn(Cc2ccccc2F)nn1)[*:1]
C[C@@H](c1ccon1)N(C)C(=O)c1cn(Cc2ccccc2F)nn1 Fc1ccccc1[*:1] C[C@@H](c1ccon1)N(C)C(=O)c1cn(C[*:1])nn1
C[C@@H](c1ccon1)N(C)C(=O)c1cn(Cc2ccccc2F)nn1 Fc1ccccc1C[*:1] C[C@@H](c1ccon1)N(C)C(=O)c1cn(nn1)[*:1]
CCS(=O)(=O)CCn1ccc(NC(=O)c2cc(C#N)cn2C)n1 CCS(=O)(=O)CC[*:1] Cn1cc(C#N)cc1C(=O)Nc1ccn(n1)[*:1]
CCS(=O)(=O)CCn1ccc(NC(=O)c2cc(C#N)cn2C)n1 CCS(=O)(=O)[*:1] Cn1cc(C#N)cc1C(=O)Nc1ccn(CC[*:1])n1
CCS(=O)(=O)CCn1ccc(NC(=O)c2cc(C#N)cn2C)n1 CCS(=O)(=O)C[*:1] Cn1cc(C#N)cc1C(=O)Nc1ccn(C[*:1])n1
NC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 c1ccc(cc1)C[*:1] NC(=O)c1ccc(cc1)/N=C/c1ccc(cc1)O[*:1]
NC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 c1ccc(cc1)CO[*:1] NC(=O)c1ccc(cc1)/N=C/c1ccc(cc1)[*:1]
NC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)/N=C/c1ccc(cc1)OC[*:1]
NC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 NC(=O)[*:1] C(=N/c1ccc(cc1)[*:1])\c1ccc(cc1)OCc1ccccc1
CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(OC3CCCC3)c2)C1 CCNS(=O)(=O)[*:1] O=C(c1cccc(c1)OC1CCCC1)N1CC[C@H](C1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(OC3CCCC3)c2)C1 C1CCC(C1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)c1cccc(c1)O[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(OC3CCCC3)c2)C1 C1CCC(C1)O[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
Cc1nc(C)n(CCNS(=O)(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc(C)n(CCNS(=O)(=O)[*:1])n1
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)Cc1c[nH]c2c(C)cccc12 CC(C)C(=O)N[*:1] Cc1ccc(cc1NC(=O)Cc1c[nH]c2c(C)cccc12)[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)Cc1c[nH]c2c(C)cccc12 CC(C)[*:1] Cc1ccc(cc1NC(=O)Cc1c[nH]c2c(C)cccc12)NC(=O)[*:1]
CCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccco2)ccc1C CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)/C=C/c1ccco1
CCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccco2)ccc1C c1coc(c1)[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1C)NC(=O)C=C[*:1]
CCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccco2)ccc1C C(=C[*:1])c1ccco1 CCN(CC)S(=O)(=O)c1cc(ccc1C)NC(=O)[*:1]
COc1ccc2nc(C)c(C(=O)NC[C@@H]3CCN(c4ccccc4)C3)cc2c1 c1ccc(cc1)[*:1] COc1ccc2nc(C)c(cc2c1)C(=O)NC[C@@H]1CCN(C1)[*:1]
CC1=C(C(=O)N(Cc2ccsc2)CC(C)C)[C@@H](C)NC(=O)N1 c1cc(cs1)C[*:1] CC1NC(=O)N[C@H](C)C=1C(=O)N(CC(C)C)[*:1]
CC1=C(C(=O)N(Cc2ccsc2)CC(C)C)[C@@H](C)NC(=O)N1 CC(C)[*:1] CC1NC(=O)N[C@H](C)C=1C(=O)N(Cc1ccsc1)C[*:1]
CC1=C(C(=O)N(Cc2ccsc2)CC(C)C)[C@@H](C)NC(=O)N1 CC(C)C[*:1] CC1NC(=O)N[C@H](C)C=1C(=O)N(Cc1ccsc1)[*:1]
CC1=C(C(=O)N(Cc2ccsc2)CC(C)C)[C@@H](C)NC(=O)N1 c1cc(cs1)[*:1] CC1NC(=O)N[C@H](C)C=1C(=O)N(CC(C)C)C[*:1]
CNC(=O)c1cccc(CNC(=O)CO[C@H]2CCCC[C@H]2C)c1 CNC(=O)[*:1] C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1sc2ncnc(c2c1C)N1CCN(CC1)S(=O)(=O)[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)C(C)(C)C CC(C)(C)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)C(C)(C)C CC(C)(C)[C@@H](O)C[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)N[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)C(C)(C)C CC[S@](=O)[*:1] CC(C)(C)[C@@H](O)CNC(=O)N[C@H]1CCCC[C@@H]1[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)C(C)(C)C CC(C)(C)[C@@H](O)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2cccs2)nc2ccccc12 c1csc(c1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(nc2ccccc12)[*:1]
C#CCN(CC(=O)[O-])C(=O)NCc1ccnc(C)n1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)NCc1ccnc(C)n1
C#CCN(CC(=O)[O-])C(=O)NCc1ccnc(C)n1 C#CC[*:1] Cc1nccc(CNC(=O)N(CC(=O)[O-])[*:1])n1
C#CCN(CC(=O)[O-])C(=O)NCc1ccnc(C)n1 O=C([O-])C[*:1] C#CCN(C(=O)NCc1ccnc(C)n1)[*:1]
CCOC(=O)[C@H]1C(C)=NC(CCC(=O)Nc2ccc(F)cc2F)=C1C Fc1ccc(c(F)c1)[*:1] CCOC(=O)[C@H]1C(C)=NC(CCC(=O)N[*:1])=C1C
CCOC(=O)[C@H]1C(C)=NC(CCC(=O)Nc2ccc(F)cc2F)=C1C CCOC(=O)[*:1] CC1=NC(CCC(=O)Nc2ccc(F)cc2F)=C(C)[C@H]1[*:1]
CC(C)(C)c1csc(C[NH2+]C[C@@H]2CCC[C@H]2O)n1 CC(C)(C)[*:1] O[C@@H]1CCC[C@H]1C[NH2+]Cc1nc(cs1)[*:1]
CC(C)(C)c1csc(C[NH2+]C[C@@H]2CCC[C@H]2O)n1 O[C@@H]1CCC[C@H]1[*:1] CC(C)(C)c1csc(C[NH2+]C[*:1])n1
CCc1cc(=O)n2nc(N3CCCC[C@H]3c3cn[nH]c3)sc2n1 c1n[nH]cc1[*:1] CCc1cc(=O)n2nc(sc2n1)N1CCCC[C@@H]1[*:1]
N#CCc1ccc(NC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1 c1ccc2c(c1)ncn2[*:1] N#CCc1ccc(cc1)NC(=O)NCc1ccc(cc1)[*:1]
N#CCc1ccc(NC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1 N#CC[*:1] O=C(NCc1ccc(cc1)-n1cnc2ccccc21)Nc1ccc(cc1)[*:1]
N#CCc1ccc(NC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)cc1 N#CCc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)-n1cnc2ccccc21)N[*:1]
Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1ccccn1 c1ccc(nc1)[*:1] Cc1nc(sc1C(=O)N[*:1])-c1c(C)c(C)nn(C)c1=O
O=S1(=O)CCN2C=CC=C(/C([O-])=N/c3ccc(F)c(C(F)(F)F)c3)C2=N1 FC(F)(F)[*:1] O=S1(=O)CCN2C=CC=C(C2=N1)/C([O-])=N/c1ccc(F)c(c1)[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccc2c(c1O)OC(C)(C)C2 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)c1ccc2CC(C)(C)Oc2c1O
O=C(N/N=C/c1ccoc1)c1ccncc1 c1cc(co1)[*:1] O=C(NN=C[*:1])c1ccncc1
CCc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1=O CCc1ccccc1[*:1] O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1=O O=C(NC[C@@H]1CCCO1)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
CCc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1=O C1CO[C@@H](C1)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)Nc1ccccc1C(=O)NC[*:1]
O=C(CCCCO)N1CCC[C@H](CO)C1 OCCC[*:1] O=C(C[*:1])N1CCC[C@H](CO)C1
O=C(CCCCO)N1CCC[C@H](CO)C1 OCCCC[*:1] O=C(N1CCC[C@H](CO)C1)[*:1]
O=C(CCCCO)N1CCC[C@H](CO)C1 OCC[*:1] O=C(CC[*:1])N1CCC[C@H](CO)C1
COc1cc(/C=C/C(=O)NCc2cccs2)ccc1OC(F)F c1csc(c1)[*:1] COc1cc(/C=C/C(=O)NC[*:1])ccc1OC(F)F
COc1cc(/C=C/C(=O)NCc2cccs2)ccc1OC(F)F FC(F)[*:1] COc1cc(/C=C/C(=O)NCc2cccs2)ccc1O[*:1]
COc1cc(/C=C/C(=O)NCc2cccs2)ccc1OC(F)F FC(F)O[*:1] COc1cc(/C=C/C(=O)NCc2cccs2)ccc1[*:1]
COc1cc(/C=C/C(=O)NCc2cccs2)ccc1OC(F)F c1csc(c1)C[*:1] COc1cc(/C=C/C(=O)N[*:1])ccc1OC(F)F
CCC(CC)NC(=O)NC[C@](O)(c1ccccc1)C1CC1 C1CC1[*:1] CCC(CC)NC(=O)NC[C@](O)(c1ccccc1)[*:1]
CCC(CC)NC(=O)NC[C@](O)(c1ccccc1)C1CC1 CCC(CC)[*:1] O=C(NC[C@](O)(c1ccccc1)C1CC1)N[*:1]
CCC(CC)NC(=O)NC[C@](O)(c1ccccc1)C1CC1 c1ccc(cc1)[*:1] CCC(CC)NC(=O)NC[C@](O)(C1CC1)[*:1]
Cc1c(Br)ccc(OC(C)C)c1C CC(C)[*:1] Cc1c(Br)ccc(O[*:1])c1C
Cc1c(Br)ccc(OC(C)C)c1C CC(C)O[*:1] Cc1c(Br)ccc(c1C)[*:1]
O=C(c1cc[n+]([O-])cc1)N1CCC[C@](CO)(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1cc[n+]([O-])cc1)N1CCC[C@](CO)(C1)[*:1]
O=C(c1cc[n+]([O-])cc1)N1CCC[C@](CO)(Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cc[n+]([O-])cc1)N1CCC[C@@](CO)(C1)C[*:1]
O=C(c1cc[n+]([O-])cc1)N1CCC[C@](CO)(Cc2ccccc2)C1 [O-][n+]1ccc(cc1)[*:1] O=C(N1CCC[C@](CO)(Cc2ccccc2)C1)[*:1]
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(cc1)[*:1]
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-n2cncn2)cc1 CCOC(=O)[*:1] CC1NC(=S)N[C@@H](C=1[*:1])c1ccc(cc1)-n1cncn1
C=CCn1c(N2CC[NH+](CCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C c1ccc(cc1)[*:1] C=CCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH+](CC1)CC[*:1]
C=CCn1c(N2CC[NH+](CCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C C=CC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](CCc3ccccc3)CC1)n2[*:1]
C=CCn1c(N2CC[NH+](CCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C c1ccc(cc1)C[*:1] C=CCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH+](CC1)C[*:1]
C=CCn1c(N2CC[NH+](CCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C c1ccc(cc1)CC[*:1] C=CCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH+](CC1)[*:1]
COc1ccc2nc(N3CCC[C@H]3C(=O)NCCCc3ccccc3)nc(C)c2c1 c1ccc(cc1)CC[*:1] COc1ccc2nc(nc(C)c2c1)N1CCC[C@H]1C(=O)NC[*:1]
COc1ccc2nc(N3CCC[C@H]3C(=O)NCCCc3ccccc3)nc(C)c2c1 c1ccc(cc1)[*:1] COc1ccc2nc(nc(C)c2c1)N1CCC[C@H]1C(=O)NCCC[*:1]
COc1ccc2nc(N3CCC[C@H]3C(=O)NCCCc3ccccc3)nc(C)c2c1 c1ccc(cc1)C[*:1] COc1ccc2nc(nc(C)c2c1)N1CCC[C@H]1C(=O)NCC[*:1]
COc1ccc2nc(N3CCC[C@H]3C(=O)NCCCc3ccccc3)nc(C)c2c1 c1ccc(cc1)CCC[*:1] COc1ccc2nc(nc(C)c2c1)N1CCC[C@H]1C(=O)N[*:1]
Nn1c(Cc2ccc(F)c(F)c2)nnc1SCC(=O)[O-] O=C([O-])[*:1] Nn1c(Cc2ccc(F)c(F)c2)nnc1SC[*:1]
Nn1c(Cc2ccc(F)c(F)c2)nnc1SCC(=O)[O-] O=C([O-])C[*:1] Nn1c(Cc2ccc(F)c(F)c2)nnc1S[*:1]
Nn1c(Cc2ccc(F)c(F)c2)nnc1SCC(=O)[O-] O=C([O-])CS[*:1] Nn1c(Cc2ccc(F)c(F)c2)nnc1[*:1]
CC(C)CCN(C(=O)C1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CC(C)CCN(C(=O)C1CCCC1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CC(C)CCN(C(=O)C1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O CC(C)C[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(C[*:1])C(=O)C1CCCC1
CC(C)CCN(C(=O)C1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O CC(C)[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(CC[*:1])C(=O)C1CCCC1
CC(C)CCN(C(=O)C1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O CC(C)CC[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(C(=O)C1CCCC1)[*:1]
CC(C)CCN(C(=O)C1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CC(C)CCN(C(=O)C1CCCC1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CC(C)CCN(C(=O)C1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O C1CCC(C1)[*:1] CC(C)CCN(C(=O)[*:1])c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
CC(C)Oc1ncnc(N2C[C@@H](C)[C@H](C)C2)c1N CC(C)[*:1] C[C@@H]1CN(C[C@H]1C)c1ncnc(O[*:1])c1N
CC(C)Oc1ncnc(N2C[C@@H](C)[C@H](C)C2)c1N CC(C)O[*:1] C[C@@H]1CN(C[C@H]1C)c1ncnc(c1N)[*:1]
O=C(NNc1ccc(F)cc1F)c1cccs1 c1csc(c1)[*:1] O=C(NNc1ccc(F)cc1F)[*:1]
C/[NH+]=C(/NCCOc1cccnc1)N[C@H]1[C@H]2CCO[C@@H]2C1(C)C c1cncc(c1)O[*:1] C/[NH+]=C(/NCC[*:1])N[C@H]1[C@H]2CCO[C@@H]2C1(C)C
C/[NH+]=C(/NCCOc1cccnc1)N[C@H]1[C@H]2CCO[C@@H]2C1(C)C c1cncc(c1)[*:1] C/[NH+]=C(/NCCO[*:1])N[C@H]1[C@H]2CCO[C@@H]2C1(C)C
C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)C(C)(C)C CC(C)(C)[*:1] C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)[*:1]
N#CCSCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] O=C([O-])[*:1] N#CCSCC(=O)N1Cc2ccccc2C[C@H]1[*:1]
N#CCSCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] N#CCSC[*:1] O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[*:1]
N#CCSCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] N#CCS[*:1] O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[*:1]
N#CCSCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] N#CC[*:1] O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CS[*:1]
Cc1ccc(NC(=O)[C@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 Clc1ccc(s1)[*:1] Cc1ccc(cc1)NC(=O)[C@H](C)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(NC(=O)[C@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
N#CCN1CCN(C(=O)c2cnc(-c3ccoc3)s2)CC1 c1cc(co1)[*:1] N#CCN1CCN(CC1)C(=O)c1cnc(s1)[*:1]
N#CCN1CCN(C(=O)c2cnc(-c3ccoc3)s2)CC1 N#CC[*:1] O=C(c1cnc(s1)-c1ccoc1)N1CCN(CC1)[*:1]
C#Cc1cccc(NC(=O)C[NH+](C)Cc2nnnn2CCC)c1 CCC[*:1] C#Cc1cccc(c1)NC(=O)C[NH+](C)Cc1nnnn1[*:1]
CC(C)C[C@@H](NC(=O)NC(C)(C)C)C(=O)N1CCc2nnc(-c3ccccn3)n2CC1 CC(C)[*:1] CC(C)(C)NC(=O)N[C@H](C[*:1])C(=O)N1CCc2nnc(-c3ccccn3)n2CC1
CC(C)C[C@@H](NC(=O)NC(C)(C)C)C(=O)N1CCc2nnc(-c3ccccn3)n2CC1 CC(C)(C)NC(=O)N[*:1] CC(C)C[C@@H](C(=O)N1CCc2nnc(-c3ccccn3)n2CC1)[*:1]
CC(C)C[C@@H](NC(=O)NC(C)(C)C)C(=O)N1CCc2nnc(-c3ccccn3)n2CC1 CC(C)(C)[*:1] CC(C)C[C@@H](NC(=O)N[*:1])C(=O)N1CCc2nnc(-c3ccccn3)n2CC1
CC(C)C[C@@H](NC(=O)NC(C)(C)C)C(=O)N1CCc2nnc(-c3ccccn3)n2CC1 c1ccc(nc1)[*:1] CC(C)C[C@@H](NC(=O)NC(C)(C)C)C(=O)N1CCc2nnc(n2CC1)[*:1]
CC(C)C[C@@H](NC(=O)NC(C)(C)C)C(=O)N1CCc2nnc(-c3ccccn3)n2CC1 CC(C)C[*:1] CC(C)(C)NC(=O)N[C@@H](C(=O)N1CCc2nnc(-c3ccccn3)n2CC1)[*:1]
O=C(c1ccc2[nH]cnc2c1)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] O=C(c1ccc2[nH]cnc2c1)N1CC[NH+](CC1)C[*:1]
O=C(c1ccc2[nH]cnc2c1)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] O=C(c1ccc2[nH]cnc2c1)N1CC[NH+](CC1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCCc1coc(n1)[*:1]
CO[C@H](C)c1noc([C@@H]([NH3+])CCSC)n1 CO[C@H](C)[*:1] CSCC[C@H]([NH3+])c1nc(no1)[*:1]
CO[C@H](C)c1noc([C@@H]([NH3+])CCSC)n1 CSCC[*:1] CO[C@H](C)c1noc(n1)[C@@H]([NH3+])[*:1]
CO[C@H](C)c1noc([C@@H]([NH3+])CCSC)n1 CSC[*:1] CO[C@H](C)c1noc(n1)[C@@H]([NH3+])C[*:1]
Cc1nccc(N[C@H](C)CCC[NH3+])n1 [NH3+]CC[*:1] Cc1nccc(n1)N[C@H](C)C[*:1]
Cc1nccc(N[C@H](C)CCC[NH3+])n1 [NH3+]CCC[*:1] Cc1nccc(n1)N[C@H](C)[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2(NC=O)CCCCC2)c1 COC(=O)[*:1] COC(=O)c1ccc(c(c1)NC(=O)C1(CCCCC1)NC=O)[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2(NC=O)CCCCC2)c1 O=CN[*:1] COC(=O)c1ccc(C(=O)OC)c(c1)NC(=O)C1(CCCCC1)[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2(NC=O)CCCCC2)c1 COC(=O)[*:1] COC(=O)c1ccc(cc1NC(=O)C1(CCCCC1)NC=O)[*:1]
CC[C@@H]1CCCN(C(=O)c2ccccc2COC)C1 COC[*:1] CC[C@@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
CC1=NNc2nc3c(c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n3C)n2C1 Clc1cccc(Cl)c1[*:1] CC1Cn2c(nc3c2c(=O)n(C[*:1])c(=O)n3C)NN=1
Cc1ccc2c(c1)=[NH+]C(=O)[C@@H](CN(C(=O)c1cccnc1)C1CCCCC1)C=2 C1CCC(CC1)[*:1] Cc1ccc2=C[C@H](CN(C(=O)c3cccnc3)[*:1])C(=O)[NH+]=c2c1
Cc1ccc2c(c1)=[NH+]C(=O)[C@@H](CN(C(=O)c1cccnc1)C1CCCCC1)C=2 c1cncc(c1)[*:1] Cc1ccc2=C[C@H](CN(C(=O)[*:1])C3CCCCC3)C(=O)[NH+]=c2c1
CC(C)(O)CCc1ccc(C(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)cc1 CC(C)(O)[*:1] O=C(c1ccc(cc1)CC[*:1])N1CCCO[C@H](C1)C[NH+]1CCCC1
CC(C)(O)CCc1ccc(C(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)cc1 CC(C)(O)CC[*:1] O=C(c1ccc(cc1)[*:1])N1CCCO[C@H](C1)C[NH+]1CCCC1
CC(C)(O)CCc1ccc(C(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)cc1 CC(C)(O)C[*:1] O=C(c1ccc(cc1)C[*:1])N1CCCO[C@H](C1)C[NH+]1CCCC1
Nc1nc(Nc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(ccc1[*:1])Nc1ccc(cc1)C(=O)[O-]
Nc1nc(Nc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] O=C([O-])[*:1] Nc1nc(ccc1[N+](=O)[O-])Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1 Cc1ccc(c(Cl)c1)[*:1] Cc1ccc(cc1)NC(=O)CS[C@@H](C)C(=O)N[*:1]
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@H](C)SCC(=O)N[*:1])c(Cl)c1
COc1ccc(NC(C)=O)c(NC(=O)CCc2cnn(-c3ccccc3)c2)c1 CC(=O)N[*:1] COc1ccc(c(c1)NC(=O)CCc1cnn(c1)-c1ccccc1)[*:1]
COc1ccc(NC(C)=O)c(NC(=O)CCc2cnn(-c3ccccc3)c2)c1 c1ccc(cc1)[*:1] COc1ccc(NC(C)=O)c(c1)NC(=O)CCc1cnn(c1)[*:1]
O=C(NCc1cccc(Br)c1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1 Brc1cccc(c1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1ccc(nn1)N1CCOCC1
O=C(NCc1cccc(Br)c1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1 Brc1cccc(c1)C[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(nn1)N1CCOCC1
O=C(NCc1cccc(Br)c1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1 C1CN(CCO1)[*:1] O=C(NCc1cccc(Br)c1)C1CCN(CC1)c1ccc(nn1)[*:1]
CN(Cc1csc(-c2ccccc2)n1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 c1ccc(cc1)[*:1] CN(Cc1csc(n1)[*:1])C(=O)C[C@@H]1C=CS(=O)(=O)C1
Cc1ccccc1NC(=O)CSc1cc(N2CCOCC2)ncn1 C1CN(CCO1)[*:1] Cc1ccccc1NC(=O)CSc1cc(ncn1)[*:1]
Cc1ccccc1NC(=O)CSc1cc(N2CCOCC2)ncn1 Cc1ccccc1[*:1] O=C(CSc1cc(ncn1)N1CCOCC1)N[*:1]
CCSCC[C@H](C)N(C)C(=O)c1cc[n+]([O-])cc1 CCSCC[*:1] C[C@H](N(C)C(=O)c1cc[n+]([O-])cc1)[*:1]
CCSCC[C@H](C)N(C)C(=O)c1cc[n+]([O-])cc1 CCSC[*:1] C[C@@H](C[*:1])N(C)C(=O)c1cc[n+]([O-])cc1
CCSCC[C@H](C)N(C)C(=O)c1cc[n+]([O-])cc1 CCS[*:1] C[C@@H](CC[*:1])N(C)C(=O)c1cc[n+]([O-])cc1
O=C(C[NH+]1CCNC(=O)C1)NCCOc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(C[NH+]1CCNC(=O)C1)NCCOc1ccc(cc1)[*:1]
CCC(C)(C)C1CCC(NC(=O)c2ccn(C)c(=O)c2)CC1 CCC(C)(C)[*:1] Cn1ccc(cc1=O)C(=O)NC1CCC(CC1)[*:1]
CCOc1ccc(S(=O)(=O)NCC2CCN(c3nsc4ccccc34)CC2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)NCC1CCN(CC1)c1nsc2ccccc12
CCOc1ccc(S(=O)(=O)NCC2CCN(c3nsc4ccccc34)CC2)cc1C c1ccc2c(nsc2c1)[*:1] CCOc1ccc(cc1C)S(=O)(=O)NCC1CCN(CC1)[*:1]
CCOc1ccc(S(=O)(=O)NCC2CCN(c3nsc4ccccc34)CC2)cc1C CCOc1ccc(cc1C)[*:1] O=S(=O)(NCC1CCN(CC1)c1nsc2ccccc12)[*:1]
COc1ccc(-c2nnc(/C=C/c3cccs3)o2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)-c1nnc(C=C[*:1])o1
CC(C)C[C@H](CCO)CNC(=O)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)C[C@H](CCO)CNC(=O)N1CCn2c(C1)nnc2[*:1]
CC(C)C[C@H](CCO)CNC(=O)N1CCn2c(nnc2-c2ccccc2)C1 CC(C)[*:1] O=C(NC[C@@H](CCO)C[*:1])N1CCn2c(C1)nnc2-c1ccccc1
CC(C)C[C@H](CCO)CNC(=O)N1CCn2c(nnc2-c2ccccc2)C1 OCC[*:1] CC(C)C[C@H](CNC(=O)N1CCn2c(C1)nnc2-c1ccccc1)[*:1]
CC(C)C[C@H](CCO)CNC(=O)N1CCn2c(nnc2-c2ccccc2)C1 CC(C)C[*:1] O=C(NC[C@@H](CCO)[*:1])N1CCn2c(C1)nnc2-c1ccccc1
Cc1ccc(Cl)cc1N1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)CC1 Cc1ccc(Cl)cc1[*:1] C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](C[NH+]3CCN(CC3)[*:1])C(=O)O[C@@H]1C2
Cc1c(C)n(-c2ccccn2)c2ncnc(NC3CCCCC3)c12 C1CCC(CC1)[*:1] Cc1c(C)n(-c2ccccn2)c2ncnc(N[*:1])c12
Cc1c(C)n(-c2ccccn2)c2ncnc(NC3CCCCC3)c12 C1CCC(CC1)N[*:1] Cc1c(C)n(-c2ccccn2)c2ncnc(c12)[*:1]
Cc1c(C)n(-c2ccccn2)c2ncnc(NC3CCCCC3)c12 c1ccc(nc1)[*:1] Cc1c(C)n(c2ncnc(NC3CCCCC3)c12)[*:1]
COc1ccccc1CN(C(=O)c1cc(F)c(F)c(F)c1F)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)c1cc(F)c(F)c(F)c1F)[*:1]
COc1ccccc1CN(C(=O)c1cc(F)c(F)c(F)c1F)C1CC1 COc1ccccc1[*:1] O=C(c1cc(F)c(F)c(F)c1F)N(C[*:1])C1CC1
CCCC1CCC(NC(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 CCC[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)C(=O)NC1CCC(CC1)[*:1]
Cc1ccc(C(=O)NCC(=O)NCc2ccccc2F)cc1C Fc1ccccc1[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)NC[*:1]
Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c(=O)[nH]1 Cc1cc(C)c(c(=O)[nH]1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)NC(=O)c1ccncc1
Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c(=O)[nH]1 O=C(N[*:1])c1ccncc1 Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(cc2)[*:1])c(=O)[nH]1
Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c(=O)[nH]1 c1cc(ccn1)[*:1] Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(cc2)NC(=O)[*:1])c(=O)[nH]1
COc1ccc(CCC(=O)N[C@H](C)c2cn(C)nc2C)cc1Br Cc1nn(C)cc1[*:1] COc1ccc(cc1Br)CCC(=O)N[C@H](C)[*:1]
CC(C)n1ccc(C[NH2+][C@@H]2CCOC2)n1 CC(C)[*:1] c1cn(nc1C[NH2+][C@@H]1CCOC1)[*:1]
CCN(CC)C(=O)CN(C)Cc1nc(N)c2c3c(sc2n1)CCCCC3 CCN(CC)C(=O)C[*:1] CN(Cc1nc(N)c2c3CCCCCc3sc2n1)[*:1]
CCN(CC)C(=O)CN(C)Cc1nc(N)c2c3c(sc2n1)CCCCC3 CCN(CC)C(=O)[*:1] CN(Cc1nc(N)c2c3CCCCCc3sc2n1)C[*:1]
O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[*:1]
O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=S(=O)(NC[C@@H]([NH+]1CCCC1)[*:1])c1ccc(F)cc1
c1ccc(C[NH+]2CCC(Cc3noc(C4CC4)n3)CC2)cc1 c1ccc(cc1)[*:1] C1C[NH+](CCC1Cc1noc(n1)C1CC1)C[*:1]
c1ccc(C[NH+]2CCC(Cc3noc(C4CC4)n3)CC2)cc1 c1ccc(cc1)C[*:1] C1C[NH+](CCC1Cc1noc(n1)C1CC1)[*:1]
c1ccc(C[NH+]2CCC(Cc3noc(C4CC4)n3)CC2)cc1 C1CC1[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)Cc1noc(n1)[*:1]
Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(N)=O)o2)cs1 NC(=O)[*:1] Cc1ccccc1-c1nc(cs1)C(=O)NCc1ccc(o1)[*:1]
Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(N)=O)o2)cs1 NC(=O)c1ccc(o1)[*:1] Cc1ccccc1-c1nc(cs1)C(=O)NC[*:1]
Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(N)=O)o2)cs1 Cc1ccccc1[*:1] NC(=O)c1ccc(CNC(=O)c2csc(n2)[*:1])o1
CCOC(=O)N1CCN(c2ncnc(Nc3ccccc3)c2[N+](=O)[O-])CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)c1ncnc(N[*:1])c1[N+](=O)[O-]
CCOC(=O)N1CCN(c2ncnc(Nc3ccccc3)c2[N+](=O)[O-])CC1 c1ccc(cc1)N[*:1] CCOC(=O)N1CCN(CC1)c1ncnc(c1[N+](=O)[O-])[*:1]
CCOC(=O)N1CCN(c2ncnc(Nc3ccccc3)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCOC(=O)N1CCN(CC1)c1ncnc(Nc2ccccc2)c1[*:1]
NC(=O)c1ccc(N2CCN(C(=O)CCC3CCCCC3)CC2)nn1 C1CCC(CC1)[*:1] NC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)CC[*:1]
NC(=O)c1ccc(N2CCN(C(=O)CCC3CCCCC3)CC2)nn1 C1CCC(CC1)CC[*:1] NC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)[*:1]
NC(=O)c1ccc(N2CCN(C(=O)CCC3CCCCC3)CC2)nn1 C1CCC(CC1)C[*:1] NC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)C[*:1]
NC(=O)c1ccc(N2CCN(C(=O)CCC3CCCCC3)CC2)nn1 NC(=O)[*:1] O=C(CCC1CCCCC1)N1CCN(CC1)c1ccc(nn1)[*:1]
CN(C)C(=O)C[C@@H](C[NH3+])N1CCOc2ccccc2C1 CN(C)C(=O)[*:1] [NH3+]C[C@H](C[*:1])N1CCOc2ccccc2C1
CN(C)C(=O)C[C@@H](C[NH3+])N1CCOc2ccccc2C1 CN(C)C(=O)C[*:1] [NH3+]C[C@@H](N1CCOc2ccccc2C1)[*:1]
O=C(c1cccnc1OCC(F)F)N1CCO[C@@H](c2cccc(F)c2)C1 FC(F)[*:1] O=C(c1cccnc1OC[*:1])N1CCO[C@H](C1)c1cccc(F)c1
O=C(c1cccnc1OCC(F)F)N1CCO[C@@H](c2cccc(F)c2)C1 FC(F)CO[*:1] O=C(c1cccnc1[*:1])N1CCO[C@H](C1)c1cccc(F)c1
O=C(c1cccnc1OCC(F)F)N1CCO[C@@H](c2cccc(F)c2)C1 FC(F)C[*:1] O=C(c1cccnc1O[*:1])N1CCO[C@H](C1)c1cccc(F)c1
O=C(c1cccnc1OCC(F)F)N1CCO[C@@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(c1cccnc1OCC(F)F)N1CCO[C@@H](C1)[*:1]
Nc1nnnn1-c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Nc1nnnn1-c1cccc(c1)[*:1]
CC[C@H](C)CN(CC)C(=O)Cc1csc(N)n1 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)Cc1csc(N)n1
CC[C@H](C)CN(CC)C(=O)Cc1csc(N)n1 CC[C@H](C)C[*:1] CCN(C(=O)Cc1csc(N)n1)[*:1]
CC(=O)Nc1ccc(CC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 CC(=O)N[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(O)cc1
CC(=O)Nc1ccc(CC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 Oc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)N1CCN(CC1)[*:1]
COc1ccc2c(c1)CCN(S(=O)(=O)CCNC(=O)c1c[nH]c3ccccc13)C2 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc2CN(CCc2c1)S(=O)(=O)CCNC(=O)[*:1]
CCC(=O)Nc1cc(NC(=O)CNc2cc(Cl)ccc2C)ccc1C CCC(=O)N[*:1] Cc1ccc(Cl)cc1NCC(=O)Nc1ccc(C)c(c1)[*:1]
CCC(=O)Nc1cc(NC(=O)CNc2cc(Cl)ccc2C)ccc1C Cc1ccc(Cl)cc1[*:1] CCC(=O)Nc1cc(ccc1C)NC(=O)CN[*:1]
CC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 CC(=O)[*:1] O=C1O[C@H](Cc2ccccc21)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(NC(=O)NC[C@@H](O)c2cccs2)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)NC(=O)NC[C@@H](O)[*:1]
O=C(NCCNC(=O)c1cccnc1)NC[C@H]1CCC[C@@H]1O c1cncc(c1)[*:1] O=C(NCCNC(=O)[*:1])NC[C@H]1CCC[C@@H]1O
O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 Clc1ccccc1[*:1] O=C(N1CCC[C@H](C1)c1nc2ccccc2[nH]1)[*:1]
O=C([C@@H]1Cc2ccccc2O1)N(CC1=C[C@@H]2N=CC=C2C=C1)C1CC1 C1CC1[*:1] O=C([C@@H]1Cc2ccccc2O1)N(CC1C=CC2=CC=N[C@H]2C=1)[*:1]
COc1cc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)ccc1O Clc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@@H]1CC(=O)N2CN(CSC2=C1C#N)[*:1]
COc1cc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)ccc1O COc1cc(ccc1O)[*:1] N#CC1=C2SCN(CN2C(=O)C[C@H]1[*:1])c1ccc(Cl)cc1
COC(=O)c1c[nH]c(=O)c(C#N)c1N COC(=O)[*:1] N#Cc1c(N)c(c[nH]c1=O)[*:1]
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccco2)N2c4ccccc4C=C[C@H]32)c(C)c1 c1coc(c1)[*:1] Cc1ccc(c(C)c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)[*:1])N1c3ccccc3C=C[C@H]21
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccco2)N2c4ccccc4C=C[C@H]32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)[*:1]
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccco2)N2c4ccccc4C=C[C@H]32)c(C)c1 O=C(c1ccco1)[*:1] Cc1ccc(c(C)c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](N1c3ccccc3C=C[C@H]21)[*:1]
C[C@H](CS)COCCc1cccs1 C[C@H](CS)[*:1] c1csc(c1)CCOC[*:1]
O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N1CCN(CCO)CC1 c1ccc(cc1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)N1CCN(CCO)CC1
O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N1CCN(CCO)CC1 OCC[*:1] O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N1CCN(CC1)[*:1]
C[C@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)n1nnc(-c2ccccc2)n1 CC(C)(C)[C@@H](C(N)=O)[*:1] C[C@H](C(=O)N[*:1])n1nnc(n1)-c1ccccc1
C[C@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)n1nnc(-c2ccccc2)n1 NC(=O)[*:1] C[C@H](C(=O)N[C@H](C(C)(C)C)[*:1])n1nnc(n1)-c1ccccc1
C[C@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)n1nnc(-c2ccccc2)n1 CC(C)(C)[*:1] C[C@H](C(=O)N[C@H](C(N)=O)[*:1])n1nnc(n1)-c1ccccc1
C[C@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)n1nnc(n1)[*:1]
Cc1ccc([N+](=O)[O-])c(NCCCn2cccn2)c1 c1cnn(c1)C[*:1] Cc1ccc(c(c1)NCC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NCCCn2cccn2)c1 c1cnn(c1)[*:1] Cc1ccc(c(c1)NCCC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NCCCn2cccn2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)NCCCn1cccn1)[*:1]
O=C(NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1)C1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(NC[C@@H]1Cc2cc(ccc2O1)-c1cnccn1)C1(CC1)[*:1]
O=C(NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1)C1(c2ccc(Cl)cc2)CC1 c1cnc(cn1)[*:1] O=C(NC[C@@H]1Cc2cc(ccc2O1)[*:1])C1(CC1)c1ccc(Cl)cc1
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F CN(C)[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F FC(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)Nc1ccc(cc1C(F)(F)F)N(C)C
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F FC(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)Nc1ccc(cc1C(F)(F)F)N(C)C
CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F FC(F)(F)[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)Nc1ccc(cc1[*:1])N(C)C
CC1CCN([C@H](CNS(=O)(=O)c2ccc(F)c(F)c2F)c2cccs2)CC1 c1csc(c1)[*:1] CC1CCN(CC1)[C@H](CNS(=O)(=O)c1ccc(F)c(F)c1F)[*:1]
CC1CCN([C@H](CNS(=O)(=O)c2ccc(F)c(F)c2F)c2cccs2)CC1 Fc1ccc(c(F)c1F)[*:1] CC1CCN(CC1)[C@H](CNS(=O)(=O)[*:1])c1cccs1
CC1CCN([C@H](CNS(=O)(=O)c2ccc(F)c(F)c2F)c2cccs2)CC1 CC1CCN(CC1)[*:1] O=S(=O)(NC[C@H](c1cccs1)[*:1])c1ccc(F)c(F)c1F
C=CCN(Cc1cccs1)C(=O)c1cc(Cl)c[nH]1 C=CC[*:1] O=C(c1cc(Cl)c[nH]1)N(Cc1cccs1)[*:1]
C=CCN(Cc1cccs1)C(=O)c1cc(Cl)c[nH]1 c1csc(c1)C[*:1] C=CCN(C(=O)c1cc(Cl)c[nH]1)[*:1]
C=CCN(Cc1cccs1)C(=O)c1cc(Cl)c[nH]1 c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)c1cc(Cl)c[nH]1
C=CCN(Cc1cccs1)C(=O)c1cc(Cl)c[nH]1 Clc1c[nH]c(c1)[*:1] C=CCN(Cc1cccs1)C(=O)[*:1]
COc1ccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1OC COc1ccc(cc1OC)[*:1] O=C(Nc1nnc(o1)[*:1])C(c1ccccc1)c1ccccc1
COc1ccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nnc(NC(=O)C(c2ccccc2)[*:1])o1
C[NH+](Cc1ccc(-c2nc(-c3ccccn3)cc(=O)[nH]2)cc1)Cc1cnccn1 c1ccc(nc1)[*:1] C[NH+](Cc1ccc(cc1)-c1nc(cc(=O)[nH]1)[*:1])Cc1cnccn1
C[NH+](Cc1ccc(-c2nc(-c3ccccn3)cc(=O)[nH]2)cc1)Cc1cnccn1 c1cnc(cn1)[*:1] C[NH+](Cc1ccc(cc1)-c1nc(cc(=O)[nH]1)-c1ccccn1)C[*:1]
CCOc1ccc(NC(=O)Cc2cccc3ccccc23)c([N+](=O)[O-])c1 CCO[*:1] O=C(Cc1cccc2ccccc12)Nc1ccc(cc1[N+](=O)[O-])[*:1]
CCOc1ccc(NC(=O)Cc2cccc3ccccc23)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOc1ccc(NC(=O)Cc2cccc3ccccc23)c(c1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 C1CO[C@@H](C1)C[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)Nc1cccc(c1)C(=O)NC[C@@H]1CCCO1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)C(=O)NC[C@@H]1CCCO1
Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 C1CO[C@@H](C1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1cccc(c1)C(=O)NC[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 O=C(NC[C@@H]1CCCO1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CCOc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1OC FC(F)[*:1] CCOc1cc(ccc1OC)C(=O)Nc1ccc(cc1)O[*:1]
CCOc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1OC FC(F)O[*:1] CCOc1cc(ccc1OC)C(=O)Nc1ccc(cc1)[*:1]
CCOc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc(cc1)OC(F)F
CCNC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2 C(=C[*:1])c1ccco1 CCNC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
CCNC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2 c1coc(c1)[*:1] CCNC(=O)c1c(NC(=O)C=C[*:1])sc2CCCCc21
CCNC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2 CCNC(=O)[*:1] O=C(/C=C/c1ccco1)Nc1sc2CCCCc2c1[*:1]
CCCN(CC(C)(C)C[NH3+])C(=O)Cc1ccc(O)cc1 CCC[*:1] CC(C)(C[NH3+])CN(C(=O)Cc1ccc(O)cc1)[*:1]
C=C(C)COCC[NH2+][C@@H]1CCc2ccc(C)cc21 C=C(C)C[*:1] Cc1ccc2CC[C@@H]([NH2+]CCO[*:1])c2c1
C=C(C)COCC[NH2+][C@@H]1CCc2ccc(C)cc21 C=C(C)CO[*:1] Cc1ccc2CC[C@@H]([NH2+]CC[*:1])c2c1
C=C(C)COCC[NH2+][C@@H]1CCc2ccc(C)cc21 C=C(C)[*:1] Cc1ccc2CC[C@@H]([NH2+]CCOC[*:1])c2c1
C=C(C)COCC[NH2+][C@@H]1CCc2ccc(C)cc21 C=C(C)COC[*:1] Cc1ccc2CC[C@@H]([NH2+]C[*:1])c2c1
NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 NC(=O)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1[*:1]
COc1ccc2cc(CN[C@H](C)C(=O)NCc3ccccc3)ccc2c1 c1ccc(cc1)[*:1] COc1ccc2cc(ccc2c1)CN[C@H](C)C(=O)NC[*:1]
COc1ccc2cc(CN[C@H](C)C(=O)NCc3ccccc3)ccc2c1 c1ccc(cc1)C[*:1] COc1ccc2cc(ccc2c1)CN[C@H](C)C(=O)N[*:1]
Cc1ccc2nc(C)cc(C(=O)N3CCC(N4CCOC4=O)CC3)c2c1 O=C1OCCN1[*:1] Cc1ccc2nc(C)cc(C(=O)N3CCC(CC3)[*:1])c2c1
CS[C@H](C)C(=O)N[C@@H](C)c1csc(C(C)C)n1 CC(C)[*:1] CS[C@H](C)C(=O)N[C@@H](C)c1csc(n1)[*:1]
CS[C@H](C)C(=O)N[C@@H](C)c1csc(C(C)C)n1 CS[C@H](C)[*:1] CC(C)c1nc(cs1)[C@H](C)NC(=O)[*:1]
COc1ccccc1C[C@@H](C)CC(=O)N1CCC[C@@H](n2cncn2)C1 COc1ccccc1[*:1] C[C@@H](CC(=O)N1CCC[C@H](C1)n1cncn1)C[*:1]
COc1ccccc1C[C@@H](C)CC(=O)N1CCC[C@@H](n2cncn2)C1 c1ncn(n1)[*:1] COc1ccccc1C[C@@H](C)CC(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(CN(C)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)s1 Cc1ccc(s1)[*:1] CN(C[*:1])C(=O)N[C@H]1CC(=O)N(C1)C1CC1
Cc1ccc(CN(C)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)s1 C1CC1[*:1] Cc1ccc(CN(C)C(=O)N[C@H]2CC(=O)N(C2)[*:1])s1
Cc1ccc(CN(C)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)s1 Cc1ccc(C[*:1])s1 CN(C(=O)N[C@H]1CC(=O)N(C1)C1CC1)[*:1]
CC[C@H](C#N)OC(=O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@H](C#N)OC(=O)c1cnn(c1)C[*:1]
CCOC(=O)N1CCC([NH2+][C@H]2C(C)=C(C)C(=O)N2[C@@H]2CCCc3ccccc32)CC1 c1ccc2c(c1)CCC[C@H]2[*:1] CCOC(=O)N1CCC(CC1)[NH2+][C@H]1C(C)=C(C)C(=O)N1[*:1]
Cc1cnc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cn1 c1ccc(cc1)[*:1] Cc1cnc(cn1)C(=O)N1CCC(CC1)[C@@H](O)[*:1]
Cc1cnc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cn1 Cc1cnc(cn1)[*:1] O=C(N1CCC(CC1)[C@@H](O)c1ccccc1)[*:1]
O=C(Cc1csc(NC(=O)C2CC2)n1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)C1CC1)NC[*:1]
O=C(Cc1csc(NC(=O)C2CC2)n1)NCc1ccccc1 O=C(N[*:1])C1CC1 O=C(Cc1csc(n1)[*:1])NCc1ccccc1
O=C(Cc1csc(NC(=O)C2CC2)n1)NCc1ccccc1 C1CC1[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])NCc1ccccc1
O=C(Cc1csc(NC(=O)C2CC2)n1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1csc(n1)NC(=O)C1CC1)N[*:1]
Cc1cc(=O)[nH]c2nnc(SCC(=O)Nc3cccc(F)c3)n12 Fc1cccc(c1)[*:1] Cc1cc(=O)[nH]c2nnc(SCC(=O)N[*:1])n12
COC[C@H](C)N1CCN(C(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)CC1 COC[C@H](C)[*:1] C[C@@]1(CCCN1C(=O)c1ccccc1)C(=O)N1CCN(CC1)[*:1]
COC[C@H](C)N1CCN(C(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] COC[C@H](C)N1CCN(CC1)C(=O)[C@@]1(C)CCCN1C(=O)[*:1]
COC[C@H](C)N1CCN(C(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)CC1 COC[*:1] C[C@H](N1CCN(CC1)C(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1)[*:1]
C#CCN(CC(=O)[O-])C(=O)Nc1cccc(C#N)c1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)Nc1cccc(C#N)c1
C#CCN(CC(=O)[O-])C(=O)Nc1cccc(C#N)c1 C#CC[*:1] N#Cc1cccc(c1)NC(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)Nc1cccc(C#N)c1 O=C([O-])C[*:1] C#CCN(C(=O)Nc1cccc(C#N)c1)[*:1]
O=C(Nc1cccc(F)c1)[C@H]1CCN(c2ccc(OCc3ccccc3)cc2)C1=O Fc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCN(C1=O)c1ccc(cc1)OCc1ccccc1
O=C(Nc1cccc(F)c1)[C@H]1CCN(c2ccc(OCc3ccccc3)cc2)C1=O c1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)[C@H]1CCN(C1=O)c1ccc(cc1)OC[*:1]
O=C(Nc1cccc(F)c1)[C@H]1CCN(c2ccc(OCc3ccccc3)cc2)C1=O O=C(Nc1cccc(F)c1)[*:1] O=C1[C@H](CCN1c1ccc(cc1)OCc1ccccc1)[*:1]
O=C(Nc1cccc(F)c1)[C@H]1CCN(c2ccc(OCc3ccccc3)cc2)C1=O c1ccc(cc1)CO[*:1] O=C(Nc1cccc(F)c1)[C@H]1CCN(C1=O)c1ccc(cc1)[*:1]
O=C(Nc1cccc(F)c1)[C@H]1CCN(c2ccc(OCc3ccccc3)cc2)C1=O c1ccc(cc1)C[*:1] O=C(Nc1cccc(F)c1)[C@H]1CCN(C1=O)c1ccc(cc1)O[*:1]
Cc1ccc2c(CC(=O)NCCN3C(=O)S/C(=C\c4ccccc4)C3=O)coc2c1 Cc1ccc2c(coc2c1)[*:1] O=C(C[*:1])NCCN1C(=O)S/C(=C\c2ccccc2)C1=O
Cc1ccc2c(CC(=O)NCCN3C(=O)S/C(=C\c4ccccc4)C3=O)coc2c1 c1ccc(cc1)[*:1] Cc1ccc2c(coc2c1)CC(=O)NCCN1C(=O)SC(=C[*:1])C1=O
CC(C)c1ocnc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl O=C([O-])[*:1] CC(C)c1ocnc1C(=O)N[C@H](C[*:1])c1ccccc1Cl
CC(C)c1ocnc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl Clc1ccccc1[*:1] CC(C)c1ocnc1C(=O)N[C@H](CC(=O)[O-])[*:1]
CC(C)c1ocnc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl O=C([O-])C[*:1] CC(C)c1ocnc1C(=O)N[C@H](c1ccccc1Cl)[*:1]
CC(C)c1ocnc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl CC(C)[*:1] O=C([O-])C[C@@H](NC(=O)c1ncoc1[*:1])c1ccccc1Cl
C[NH+](CC1CCC(C[NH3+])CC1)CC1CC1 C1CC1C[*:1] C[NH+](CC1CCC(C[NH3+])CC1)[*:1]
C[NH+](CC1CCC(C[NH3+])CC1)CC1CC1 C1CC1[*:1] C[NH+](CC1CCC(C[NH3+])CC1)C[*:1]
COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 Fc1ccccc1[*:1] COCCNC(=O)[C@@H]1COC2(CCN(CC2)C(=O)[*:1])N1C(=O)c1cccc(F)c1
COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] COCCNC(=O)[C@@H]1COC2(CCN(CC2)C(=O)c2ccccc2F)N1C(=O)[*:1]
COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 COCC[*:1] O=C(N[*:1])[C@@H]1COC2(CCN(CC2)C(=O)c2ccccc2F)N1C(=O)c1cccc(F)c1
COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 COCCNC(=O)[*:1] O=C(c1ccccc1F)N1CCC2(CC1)OC[C@H](N2C(=O)c1cccc(F)c1)[*:1]
COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 COC[*:1] O=C(NC[*:1])[C@@H]1COC2(CCN(CC2)C(=O)c2ccccc2F)N1C(=O)c1cccc(F)c1
N#Cc1ccc(COC(=O)CCN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] N#Cc1ccc(cc1)COC(=O)CC[*:1]
COc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3OC)no2)cc1F COc1ccc(cc1F)[*:1] COc1ccccc1-c1noc(n1)[C@@H]1CCCN1C(=O)N[*:1]
COc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3OC)no2)cc1F COc1ccccc1[*:1] COc1ccc(cc1F)NC(=O)N1CCC[C@H]1c1nc(no1)[*:1]
O=C(CSCc1ccccc1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSCc1ccccc1)NC(c1ccccc1)[*:1]
O=C(CSCc1ccccc1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSC[*:1])NC(c1ccccc1)c1ccccc1
O=C(CSCc1ccccc1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)CS[*:1] O=C(C[*:1])NC(c1ccccc1)c1ccccc1
O=C(CSCc1ccccc1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(CS[*:1])NC(c1ccccc1)c1ccccc1
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1cc2ccccc2o1 c1coc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[*:1])c1cc2ccccc2o1
CC(=O)N1CCC(C(=O)N2CCN(C(C)C)CC2)CC1 CC(C)[*:1] CC(=O)N1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H](O)c2ccco2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H](O)c1ccco1)[C@@H]1CCC(=O)N1C[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H](O)c2ccco2)cc1 Cc1ccc(cc1)C[*:1] O=C(NC[C@@H](O)c1ccco1)[C@@H]1CCC(=O)N1[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H](O)c2ccco2)cc1 O[C@@H](c1ccco1)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)NC[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H](O)c2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)NC[C@@H](O)[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H](O)c2ccco2)cc1 O[C@H](C[*:1])c1ccco1 Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)N[*:1]
CCOC(=O)N1CC[NH+]([C@H](C)Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)N1CC[NH+](CC1)[C@H](C)C[*:1]
Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(Cl)c4)CC3)nn2)cc1 O=C(N[*:1])c1cccc(Cl)c1 Cc1ccc(cc1)-n1cc(nn1)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(Cl)c4)CC3)nn2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)c1cn(nn1)[*:1])c1cccc(Cl)c1
Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(Cl)c4)CC3)nn2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)-n1cc(nn1)C(=O)N1CCC(CC1)NC(=O)[*:1]
CSCc1cccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 CSC[*:1] O=C(CCn1cnc2sc3CCCCc3c2c1=O)Nc1cccc(c1)[*:1]
CSCc1cccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 CSCc1cccc(c1)[*:1] O=C(CCn1cnc2sc3CCCCc3c2c1=O)N[*:1]
C[C@@H](O)[C@@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O CS(=O)(=O)N[*:1] C[C@@H](O)[C@@H](C)[NH2+]CC(C)(C)[*:1]
C[C@@H](O)[C@@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O C[C@@H](O)[*:1] C[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)[*:1]
CC[C@H](NC(=O)c1nccn2ccnc12)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1nccn2ccnc12)[*:1]
CN(CCN(C)S(=O)(=O)c1c(F)cccc1F)C(=O)OC(C)(C)C Fc1cccc(F)c1[*:1] CN(CCN(C)S(=O)(=O)[*:1])C(=O)OC(C)(C)C
CN(CCN(C)S(=O)(=O)c1c(F)cccc1F)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(CCN(C)S(=O)(=O)c1c(F)cccc1F)C(=O)O[*:1]
C/C(=N/NC(=O)[C@@H]1COc2ccc(C(C)(C)C)cc2O1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CC(=NNC(=O)[C@@H]1COc2ccc(cc2O1)C(C)(C)C)[*:1]
C/C(=N/NC(=O)[C@@H]1COc2ccc(C(C)(C)C)cc2O1)c1cccc(Br)c1 CC(C)(C)[*:1] C/C(=N/NC(=O)[C@@H]1COc2ccc(cc2O1)[*:1])c1cccc(Br)c1
COc1cccc(CNC(=O)C(=O)NCC2CCN(C(=O)c3ccno3)CC2)c1 COc1cccc(c1)C[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccno1)C(=O)N[*:1]
COc1cccc(CNC(=O)C(=O)NCC2CCN(C(=O)c3ccno3)CC2)c1 COc1cccc(c1)[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccno1)C(=O)NC[*:1]
COc1cccc(CNC(=O)C(=O)NCC2CCN(C(=O)c3ccno3)CC2)c1 c1cc(on1)[*:1] COc1cccc(c1)CNC(=O)C(=O)NCC1CCN(CC1)C(=O)[*:1]
COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)c1 COC(=O)[*:1] CC(=O)N1C[C@H](Oc2ccccc21)C(=O)Nc1cc(ccc1C)[*:1]
CCN([C@H](C)c1cccnc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 C[C@H](c1cccnc1)[*:1] CCN(S(=O)(=O)Cc1cccc(c1)[N+](=O)[O-])[*:1]
CCN([C@H](C)c1cccnc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCN([C@H](C)c1cccnc1)S(=O)(=O)Cc1cccc(c1)[*:1]
CCN([C@H](C)c1cccnc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 c1cncc(c1)[*:1] CCN([C@H](C)[*:1])S(=O)(=O)Cc1cccc(c1)[N+](=O)[O-]
O=C(NCC(=O)N1CCc2ccccc2C1)NC1CC1 C1CC1[*:1] O=C(NCC(=O)N1CCc2ccccc2C1)N[*:1]
CC(=O)C[C@@H]1CCCCCN1C(=O)Cc1cccc(O)c1 CC(=O)C[*:1] O=C(Cc1cccc(O)c1)N1CCCCC[C@H]1[*:1]
CC(=O)C[C@@H]1CCCCCN1C(=O)Cc1cccc(O)c1 CC(=O)[*:1] O=C(Cc1cccc(O)c1)N1CCCCC[C@H]1C[*:1]
CC(=O)C[C@@H]1CCCCCN1C(=O)Cc1cccc(O)c1 Oc1cccc(c1)[*:1] CC(=O)C[C@@H]1CCCCCN1C(=O)C[*:1]
CNC(=O)[C@@H]1CCCN(C(=O)c2c(C)nn(CCCl)c2C)C1 CNC(=O)[*:1] Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@H](C1)[*:1]
CNC(=O)[C@@H]1CCCN(C(=O)c2c(C)nn(CCCl)c2C)C1 ClCC[*:1] CNC(=O)[C@@H]1CCCN(C1)C(=O)c1c(C)nn(c1C)[*:1]
CC(C)c1nc(NC(=O)c2cccc3cc[nH]c23)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)c1cccc2cc[nH]c12)[*:1]
Cc1ccc(C(=O)Nc2cnn(C(C)(C)C)c2)cc1NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1cnn(c1)C(C)(C)C
Cc1ccc(C(=O)Nc2cnn(C(C)(C)C)c2)cc1NC(=O)OC(C)(C)C CC(C)(C)n1cc(cn1)[*:1] Cc1ccc(cc1NC(=O)OC(C)(C)C)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2cnn(C(C)(C)C)c2)cc1NC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)O[*:1])C(=O)Nc1cnn(c1)C(C)(C)C
Cc1ccc(C(=O)Nc2cnn(C(C)(C)C)c2)cc1NC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)OC(C)(C)C)C(=O)Nc1cnn(c1)[*:1]
C=CCOc1ccc2ccccc2c1C#N C=CC[*:1] N#Cc1c(ccc2ccccc12)O[*:1]
C=CCOc1ccc2ccccc2c1C#N C=CCO[*:1] N#Cc1c(ccc2ccccc12)[*:1]
O=C(/C=C/c1ccco1)OCCN1CCOCC1 c1coc(c1)[*:1] O=C(C=C[*:1])OCCN1CCOCC1
O=C(/C=C/c1ccco1)OCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(/C=C/c1ccco1)OCC[*:1]
Cc1n[nH]c2ncc(NC(=O)C[C@H](O)c3ccc(Cl)cc3)cc12 Clc1ccc(cc1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)C[C@H](O)[*:1]
O=C(c1ccc2[nH]nnc2c1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 c1ccc(cc1)[*:1] O=C(c1ccc2[nH]nnc2c1)N1CCN(CC1)c1cnn(c(=O)c1Cl)[*:1]
O=C(c1ccc2[nH]nnc2c1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 c1cc2[nH]nnc2cc1[*:1] O=C(N1CCN(CC1)c1cnn(-c2ccccc2)c(=O)c1Cl)[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC[C@@](O)(C1)[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)N1CC[C@](O)(C1)C(F)(F)F
O=C(C1CCCC1)N(Cc1ccncc1)C1CC1 c1cc(ccn1)[*:1] O=C(C1CCCC1)N(C[*:1])C1CC1
O=C(C1CCCC1)N(Cc1ccncc1)C1CC1 C1CCC(C1)[*:1] O=C(N(Cc1ccncc1)C1CC1)[*:1]
O=C(C1CCCC1)N(Cc1ccncc1)C1CC1 C1CC1[*:1] O=C(C1CCCC1)N(Cc1ccncc1)[*:1]
Cc1nc(C)n(CC[C@H]2CCC[C@@]2([NH2+]C(C)C)C(=O)[O-])n1 O=C([O-])[*:1] Cc1nc(C)n(CC[C@H]2CCC[C@]2([NH2+]C(C)C)[*:1])n1
Cc1nc(C)n(CC[C@H]2CCC[C@@]2([NH2+]C(C)C)C(=O)[O-])n1 CC(C)[*:1] Cc1nc(C)n(CC[C@H]2CCC[C@@]2([NH2+][*:1])C(=O)[O-])n1
Cc1nc(C)n(CC[C@H]2CCC[C@@]2([NH2+]C(C)C)C(=O)[O-])n1 Cc1nc(C)n(n1)[*:1] CC(C)[NH2+][C@]1(CCC[C@@H]1CC[*:1])C(=O)[O-]
Cc1ncn(-c2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)ncn2)c1C Clc1cccc(c1)[*:1] Cc1ncn(-c2cc(ncn2)N2CCN(CC2)C(=O)N[*:1])c1C
Cc1ncn(-c2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)ncn2)c1C Cc1ncn(c1C)[*:1] O=C(Nc1cccc(Cl)c1)N1CCN(CC1)c1cc(ncn1)[*:1]
CC(C)[C@H]([NH3+])[C@@H](C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)[C@H]([NH3+])[C@@H](C)c1ccc(cc1)O[*:1]
CC(C)[C@H]([NH3+])[C@@H](C)c1ccc(OC(F)(F)F)cc1 CC(C)[*:1] C[C@@H](c1ccc(cc1)OC(F)(F)F)[C@@H]([NH3+])[*:1]
CC(C)[C@H]([NH3+])[C@@H](C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CC(C)[C@H]([NH3+])[C@@H](C)c1ccc(cc1)[*:1]
CCN[C@@](C)(C#N)CSC[C@@H](C)CO C[C@@H](CO)[*:1] CCN[C@@](C)(C#N)CSC[*:1]
CCN[C@@](C)(C#N)CSC[C@@H](C)CO CCN[*:1] C[C@@H](CO)CSC[C@@](C)(C#N)[*:1]
COc1ccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2N)cc1 COc1ccc(cc1)[*:1] COc1cc2nc(SC[*:1])n(N)c(=O)c2cc1OC
O=C([O-])COc1ccc(Br)cc1/C=N/Nc1ncccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C([O-])COc1ccc(Br)cc1/C=N/Nc1ncccc1[*:1]
O=C([O-])COc1ccc(Br)cc1/C=N/Nc1ncccc1[N+](=O)[O-] O=C([O-])C[*:1] O=[N+]([O-])c1cccnc1N/N=C/c1cc(Br)ccc1O[*:1]
O=C([O-])COc1ccc(Br)cc1/C=N/Nc1ncccc1[N+](=O)[O-] O=C([O-])CO[*:1] O=[N+]([O-])c1cccnc1N/N=C/c1cc(Br)ccc1[*:1]
O=C([O-])COc1ccc(Br)cc1/C=N/Nc1ncccc1[N+](=O)[O-] O=C([O-])[*:1] O=[N+]([O-])c1cccnc1N/N=C/c1cc(Br)ccc1OC[*:1]
CS(=O)(=O)N1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 c1ccc(cc1)C[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)c1cn(c2ccccc12)[*:1]
CS(=O)(=O)N1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)c1cn(C[*:1])c2ccccc12
Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(n1)[C@H](C)NC(=O)[*:1]
Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(F)cc3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(F)cc1)c1nc(no1)[*:1]
Cn1ccnc(N[C@H]2C=C[C@H](C(=O)[O-])C2)c1=O O=C([O-])[*:1] Cn1ccnc(N[C@H]2C=C[C@H](C2)[*:1])c1=O
Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl c1nc(oc1[*:1])C1CC1 Cc1ccc(cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl)[*:1]
Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl C1CC1[*:1] Cc1ccc(cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl)-c1cnc(o1)[*:1]
Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] Cc1ccc(cc1S(=O)(=O)[N-][*:1])-c1cnc(o1)C1CC1
O=C(NC(=S)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C12CC3CC(CC(C3)C1)C2 O=S(=O)(N1CCCCC1)[*:1] O=C(NC(=S)Nc1cc(ccc1O)[*:1])C12CC3CC(CC(C3)C1)C2
CSCCNC1=NN=C(c2ccc(CNC(C)=O)s2)CS1 CC(=O)N[*:1] CSCCNC1=NN=C(CS1)c1ccc(C[*:1])s1
CSCCNC1=NN=C(c2ccc(CNC(C)=O)s2)CS1 CSCC[*:1] CC(=O)NCc1ccc(s1)C1CSC(=NN=1)N[*:1]
CSCCNC1=NN=C(c2ccc(CNC(C)=O)s2)CS1 CSC[*:1] CC(=O)NCc1ccc(s1)C1CSC(=NN=1)NC[*:1]
CSCCNC1=NN=C(c2ccc(CNC(C)=O)s2)CS1 CC(=O)NC[*:1] CSCCNC1=NN=C(CS1)c1ccc(s1)[*:1]
C[C@@H]1CCC[C@H](NC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)C1 O=C(N1CCCC1)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)Nc1cccc(c1)OC[*:1]
C[C@@H]1CCC[C@H](NC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)C1 O=C(C[*:1])N1CCCC1 C[C@@H]1CCC[C@@H](C1)NC(=O)Nc1cccc(c1)O[*:1]
CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(OC)cc1)c1ccc2c(c1)CC(=O)N2C COc1ccc(cc1)[*:1] CC[C@H]([NH2+][C@@H](C)[C@H](O)[*:1])c1ccc2c(c1)CC(=O)N2C
N#CCc1noc(-c2ccncc2)n1 N#CC[*:1] c1cc(ccn1)-c1nc(no1)[*:1]
CC(=O)N(C)C1CC[NH+](Cc2nc(Cc3ccccc3C)no2)CC1 CC(=O)N(C)[*:1] Cc1ccccc1Cc1noc(C[NH+]2CCC(CC2)[*:1])n1
CC(=O)N(C)C1CC[NH+](Cc2nc(Cc3ccccc3C)no2)CC1 Cc1ccccc1C[*:1] CC(=O)N(C)C1CC[NH+](CC1)Cc1nc(no1)[*:1]
CC(=O)N(C)C1CC[NH+](Cc2nc(Cc3ccccc3C)no2)CC1 Cc1ccccc1[*:1] CC(=O)N(C)C1CC[NH+](CC1)Cc1nc(C[*:1])no1
CCSC[C@@H](C)N(C)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 CCSC[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)C[C@H]1CC(=O)NC1=O)[*:1]
CCSC[C@@H](C)N(C)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 CCS[*:1] C[C@H](C[*:1])N(C)C(=O)c1ccc(cc1)C[C@H]1CC(=O)NC1=O
CCSC[C@@H](C)N(C)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 O=C1C[C@@H](C(=O)N1)[*:1] CCSC[C@@H](C)N(C)C(=O)c1ccc(cc1)C[*:1]
CCSC[C@@H](C)N(C)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 O=C1C[C@H](C[*:1])C(=O)N1 CCSC[C@@H](C)N(C)C(=O)c1ccc(cc1)[*:1]
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)N1CCCCCC1 FC(F)(F)[*:1] CN(CC(=O)Nc1ccc(Cl)c(c1)[*:1])S(=O)(=O)N1CCCCCC1
Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O CC(C)[*:1] Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN(C1=O)[*:1]
Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O Cc1ccccc1[*:1] CC(C)N1CC[C@H]([NH2+][C@@H](C)CC(=O)N[*:1])C1=O
Cc1ccc(-c2nc(CC(=O)N[C@@H](C)CN3CCOCC3)cs2)o1 C1CN(CCO1)C[*:1] Cc1ccc(o1)-c1nc(cs1)CC(=O)N[C@@H](C)[*:1]
Cc1ccc(-c2nc(CC(=O)N[C@@H](C)CN3CCOCC3)cs2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)-c1nc(cs1)CC(=O)N[C@@H](C)C[*:1]
Cc1ccc(-c2nc(CC(=O)N[C@@H](C)CN3CCOCC3)cs2)o1 Cc1ccc(o1)[*:1] C[C@@H](CN1CCOCC1)NC(=O)Cc1csc(n1)[*:1]
COCc1ccc(S(=O)(=O)[C@H](C)C(=O)Nc2ccccc2C)cc1 Cc1ccccc1[*:1] COCc1ccc(cc1)S(=O)(=O)[C@H](C)C(=O)N[*:1]
COCc1ccc(S(=O)(=O)[C@H](C)C(=O)Nc2ccccc2C)cc1 COC[*:1] Cc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nc3ccccc3c2=O)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)NN=C[*:1]
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nc3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
C[C@H](NC(=O)NCC(C)(C)CCO)C(=O)N1CCc2ccccc21 OCC[*:1] C[C@H](NC(=O)NCC(C)(C)[*:1])C(=O)N1CCc2ccccc21
C[C@H](NC(=O)NCC(C)(C)CCO)C(=O)N1CCc2ccccc21 CC(C)(CCO)[*:1] C[C@H](NC(=O)NC[*:1])C(=O)N1CCc2ccccc21
C[C@H](NC(=O)NCC(C)(C)CCO)C(=O)N1CCc2ccccc21 CC(C)(CCO)C[*:1] C[C@H](NC(=O)N[*:1])C(=O)N1CCc2ccccc21
CCc1cccc(S(=O)(=O)N[C@@](C)(C(=O)OC)C2CC2)c1 COC(=O)[*:1] CCc1cccc(c1)S(=O)(=O)N[C@@](C)(C1CC1)[*:1]
CCc1cccc(S(=O)(=O)N[C@@](C)(C(=O)OC)C2CC2)c1 C1CC1[*:1] CCc1cccc(c1)S(=O)(=O)N[C@@](C)(C(=O)OC)[*:1]
Nc1nnc(CCCOc2ccc(Cl)cc2Cl)s1 Nc1nnc(s1)[*:1] Clc1ccc(OCCC[*:1])c(Cl)c1
CCCCN(C(=O)[C@@H](C)Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 CCC[*:1] C[C@@H](Cc1ccccc1F)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)[C@@H](C)Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1C[*:1] CCCCN(C(=O)[C@@H](C)[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)[C@@H](C)Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] C[C@@H](Cc1ccccc1F)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)[C@@H](C)Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] CCCCN(C(=O)[C@@H](C)C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)[C@@H](C)Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCN(C(=O)[C@@H](C)Cc1ccccc1F)[*:1]
NC(=O)c1cnc(C[C@@H]2COCCN(c3ncccn3)C2)cn1 NC(=O)[*:1] c1cnc(nc1)N1CCOC[C@@H](Cc2cnc(cn2)[*:1])C1
NC(=O)c1cnc(C[C@@H]2COCCN(c3ncccn3)C2)cn1 c1cnc(nc1)[*:1] NC(=O)c1cnc(cn1)C[C@@H]1COCCN(C1)[*:1]
C/C(=C/C(=O)N1CCN(CC(=O)NC(C)C)CC1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)N1CCN(CC1)CC(=O)NC(C)C)[*:1]
C/C(=C/C(=O)N1CCN(CC(=O)NC(C)C)CC1)C(C)(C)C CC(C)NC(=O)C[*:1] C/C(=C/C(=O)N1CCN(CC1)[*:1])C(C)(C)C
C/C(=C/C(=O)N1CCN(CC(=O)NC(C)C)CC1)C(C)(C)C CC(C)[*:1] C/C(=C/C(=O)N1CCN(CC1)CC(=O)N[*:1])C(C)(C)C
C/C(=C/C(=O)N1CCN(CC(=O)NC(C)C)CC1)C(C)(C)C CC(=C[*:1])C(C)(C)C CC(C)NC(=O)CN1CCN(CC1)C(=O)[*:1]
C/C(=C/C(=O)N1CCN(CC(=O)NC(C)C)CC1)C(C)(C)C CC(C)NC(=O)[*:1] C/C(=C/C(=O)N1CCN(CC1)C[*:1])C(C)(C)C
CCCCC(=O)Nc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1 CCCC[*:1] C[C@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)NC(=O)[*:1]
CCCCC(=O)Nc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1 CCC[*:1] C[C@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)NC(=O)C[*:1]
CCCCC(=O)Nc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1 CCCCC(=O)N[*:1] C[C@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)[*:1]
Cn1cc([C@H]2CN(C(=O)c3c(O)cccc3O)CCO2)cn1 Cn1cc(cn1)[*:1] O=C(c1c(O)cccc1O)N1CCO[C@H](C1)[*:1]
Cc1ccc(N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1-n1cnnn1 FC(F)(F)C[*:1] Cc1ccc(cc1-n1cnnn1)N[C@@H]1CCN(C1=O)[*:1]
Cc1ccc(N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1-n1cnnn1 FC(F)(F)[*:1] Cc1ccc(cc1-n1cnnn1)N[C@@H]1CCN(C[*:1])C1=O
Cc1ccc(N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1-n1cnnn1 c1nnnn1[*:1] Cc1ccc(cc1[*:1])N[C@@H]1CCN(CC(F)(F)F)C1=O
CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@H]1CCc2ncnn2C1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)C[NH2+][C@@H]1CCc2ncnn2C1
CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@H]1CCc2ncnn2C1 Cn1cc(cn1)C[*:1] CN(C(=O)C[NH2+][C@@H]1CCc2ncnn2C1)[*:1]
COCCn1nc(C)c(NC(=O)N[C@H](c2nc(C)no2)C(C)C)c1C CC(C)[*:1] COCCn1nc(C)c(NC(=O)N[C@H](c2nc(C)no2)[*:1])c1C
COCCn1nc(C)c(NC(=O)N[C@H](c2nc(C)no2)C(C)C)c1C Cc1noc(n1)[*:1] COCCn1nc(C)c(NC(=O)N[C@H](C(C)C)[*:1])c1C
COCCn1nc(C)c(NC(=O)N[C@H](c2nc(C)no2)C(C)C)c1C COCC[*:1] Cc1noc(n1)[C@@H](NC(=O)Nc1c(C)nn(c1C)[*:1])C(C)C
COCCn1nc(C)c(NC(=O)N[C@H](c2nc(C)no2)C(C)C)c1C COC[*:1] Cc1noc(n1)[C@@H](NC(=O)Nc1c(C)nn(C[*:1])c1C)C(C)C
CC[C@@H](CNC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1)c1ccccc1 CCN(S(C)(=O)=O)[*:1] CC[C@@H](CNC(=O)N1CCC(CC1)[*:1])c1ccccc1
CC[C@@H](CNC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)N1CCC(CC1)N(CC)S(C)(=O)=O)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1csc2ccccc12 C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)c1csc2ccccc12)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1csc2ccccc12 C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)c1csc2ccccc12
CC(C)N(C[C@H]1CCCCO1)C(=O)c1csc2ccccc12 CC(C)[*:1] O=C(c1csc2ccccc12)N(C[C@H]1CCCCO1)[*:1]
CO[C@H](CNCc1cc[nH]c1)c1ccc(F)cc1 c1cc(c[nH]1)C[*:1] CO[C@H](CN[*:1])c1ccc(F)cc1
CO[C@H](CNCc1cc[nH]c1)c1ccc(F)cc1 c1cc(c[nH]1)[*:1] CO[C@H](CNC[*:1])c1ccc(F)cc1
NC(=O)c1ccc(C[NH+]2CCCN(Cc3ccccc3F)CC2)cc1 NC(=O)[*:1] Fc1ccccc1CN1CCC[NH+](CC1)Cc1ccc(cc1)[*:1]
NC(=O)c1ccc(C[NH+]2CCCN(Cc3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] NC(=O)c1ccc(cc1)C[NH+]1CCCN(CC1)C[*:1]
NC(=O)c1ccc(C[NH+]2CCCN(Cc3ccccc3F)CC2)cc1 Fc1ccccc1C[*:1] NC(=O)c1ccc(cc1)C[NH+]1CCCN(CC1)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCC(N)=O)c1 Clc1ccc(s1)[*:1] CN(C[*:1])C(=O)NCc1cccc(c1)OCC(N)=O
CN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCC(N)=O)c1 NC(=O)[*:1] CN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(c1)OC[*:1]
CN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCC(N)=O)c1 Clc1ccc(C[*:1])s1 CN(C(=O)NCc1cccc(c1)OCC(N)=O)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCC(N)=O)c1 NC(=O)CO[*:1] CN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(c1)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCC(N)=O)c1 NC(=O)C[*:1] CN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(c1)O[*:1]
CC(C)n1cc(NC(=O)C(=O)Nc2ccc(CC#N)cc2)cn1 CC(C)[*:1] N#CCc1ccc(cc1)NC(=O)C(=O)Nc1cnn(c1)[*:1]
CC(C)n1cc(NC(=O)C(=O)Nc2ccc(CC#N)cc2)cn1 N#CC[*:1] CC(C)n1cc(cn1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCc1nsc(NCCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)n1 CCc1nsc(n1)[*:1] O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCCN[*:1]
CC(=O)N1C[C@@H](C(=O)N2CCS/C2=N\c2cccc(Cl)c2C)Oc2ccccc21 Cc1c(Cl)cccc1[*:1] CC(=O)N1C[C@H](Oc2ccccc21)C(=O)N1CCSC1=N[*:1]
Cc1cccc(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3cccs3)CC2)c1C c1csc(c1)[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@H](c1ccccc1)c1nnnn1C[*:1]
Cc1cccc(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3cccs3)CC2)c1C c1csc(c1)C[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@H](c1ccccc1)c1nnnn1[*:1]
Cc1cccc(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3cccs3)CC2)c1C Cc1cccc(c1C)[*:1] c1ccc(cc1)[C@H](c1nnnn1Cc1cccs1)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3cccs3)CC2)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@H](c1nnnn1Cc1cccs1)[*:1]
C[C@@H]([C@@H](C)[NH2+]C1CCN(CC(F)F)CC1)N1CCOCC1 FC(F)C[*:1] C[C@@H]([C@@H](C)[NH2+]C1CCN(CC1)[*:1])N1CCOCC1
C[C@@H]([C@@H](C)[NH2+]C1CCN(CC(F)F)CC1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]([C@@H](C)[NH2+]C1CCN(CC1)CC(F)F)[*:1]
C[C@@H]([C@@H](C)[NH2+]C1CCN(CC(F)F)CC1)N1CCOCC1 FC(F)[*:1] C[C@@H]([C@@H](C)[NH2+]C1CCN(CC1)C[*:1])N1CCOCC1
CCOc1ccc(CNC(=O)Nc2ccc(OC)c(F)c2)cc1OC CCO[*:1] COc1ccc(cc1F)NC(=O)NCc1ccc(c(c1)OC)[*:1]
CCOc1ccccc1C(=O)NC[C@](C)(O)c1ccccc1 CCO[*:1] C[C@](O)(CNC(=O)c1ccccc1[*:1])c1ccccc1
CCOc1ccccc1C(=O)NC[C@](C)(O)c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1C(=O)NC[C@](C)(O)[*:1]
C[C@@H](C(=O)N[C@@H](CO)CC(C)(C)C)n1cccc1 c1ccn(c1)[*:1] C[C@@H](C(=O)N[C@@H](CO)CC(C)(C)C)[*:1]
C[C@@H](C(=O)N[C@@H](CO)CC(C)(C)C)n1cccc1 CC(C)(C)[*:1] C[C@@H](C(=O)N[C@@H](CO)C[*:1])n1cccc1
C[C@@H](C(=O)N[C@@H](CO)CC(C)(C)C)n1cccc1 CC(C)(C)C[*:1] C[C@@H](C(=O)N[C@@H](CO)[*:1])n1cccc1
CC(=O)N1CCCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 C1CC1[*:1] CC(=O)N1CCCN(CC1)CC(=O)c1c(N)n(c(=O)[nH]c1=O)[*:1]
COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1O COC(=O)[*:1] O=C(N[C@@H]1CCC[C@H]1[*:1])c1ccc(F)cc1O
CSc1ccc(C)c(/C([O-])=N/S(=O)(=O)CCCF)c1 FCCC[*:1] CSc1ccc(C)c(c1)/C([O-])=N/S(=O)(=O)[*:1]
CSc1ccc(C)c(/C([O-])=N/S(=O)(=O)CCCF)c1 FCC[*:1] CSc1ccc(C)c(c1)/C([O-])=N/S(=O)(=O)C[*:1]
CCc1onc(C)c1NC(=O)C[C@H](C)SC CS[C@@H](C)C[*:1] CCc1onc(C)c1NC(=O)[*:1]
CCc1onc(C)c1NC(=O)C[C@H](C)SC CS[C@@H](C)[*:1] CCc1onc(C)c1NC(=O)C[*:1]
C=CC[C@](C)(O)C[NH2+]CC(C)C CC(C)C[*:1] C=CC[C@](C)(O)C[NH2+][*:1]
C=CC[C@](C)(O)C[NH2+]CC(C)C CC(C)[*:1] C=CC[C@](C)(O)C[NH2+]C[*:1]
C=CC[C@](C)(O)C[NH2+]CC(C)C C=CC[*:1] CC(C)C[NH2+]C[C@](C)(O)[*:1]
COc1cc(/C=C/C(=O)NC2CCC(O)CC2)ccc1OCC#N N#CC[*:1] COc1cc(/C=C/C(=O)NC2CCC(O)CC2)ccc1O[*:1]
COc1cc(/C=C/C(=O)NC2CCC(O)CC2)ccc1OCC#N N#CCO[*:1] COc1cc(/C=C/C(=O)NC2CCC(O)CC2)ccc1[*:1]
COc1cc(/C=C/C(=O)NC2CCC(O)CC2)ccc1OCC#N OC1CCC(CC1)[*:1] COc1cc(/C=C/C(=O)N[*:1])ccc1OCC#N
Cc1ccoc1C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccoc1C(=O)Nc1cccc(c1)CN(C)C(=O)[*:1]
Cc1ccoc1C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 CN(C(=O)C(F)(F)F)[*:1] Cc1ccoc1C(=O)Nc1cccc(c1)C[*:1]
Cc1ccoc1C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 Cc1ccoc1[*:1] CN(Cc1cccc(c1)NC(=O)[*:1])C(=O)C(F)(F)F
CCOC(=O)CNC1(c2nccs2)CCCC1 c1csc(n1)[*:1] CCOC(=O)CNC1(CCCC1)[*:1]
CCOC(=O)CNC1(c2nccs2)CCCC1 CCOC(=O)[*:1] c1csc(n1)C1(CCCC1)NC[*:1]
Cn1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)N2CCNC2=O)nn1 O=C1NCCN1[*:1] Cn1cc(nn1)C(=O)NC[C@@H](Cc1cccc(F)c1)[*:1]
Cn1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)N2CCNC2=O)nn1 Cn1cc(nn1)[*:1] O=C1NCCN1[C@@H](CNC(=O)[*:1])Cc1cccc(F)c1
Cn1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)N2CCNC2=O)nn1 Fc1cccc(c1)[*:1] Cn1cc(nn1)C(=O)NC[C@@H](C[*:1])N1CCNC1=O
Cn1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)N2CCNC2=O)nn1 Fc1cccc(c1)C[*:1] Cn1cc(nn1)C(=O)NC[C@@H](N1CCNC1=O)[*:1]
C[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 C1CCC(C1)[*:1] C[C@@H]([NH3+])C(=O)N1CCC(CC1)Oc1ccc(cc1Cl)C(=O)N[*:1]
C[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 O=C(NC1CCCC1)[*:1] C[C@@H]([NH3+])C(=O)N1CCC(CC1)Oc1ccc(cc1Cl)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccnn1C1CCCCC1 CC[C@@H](C)NC(=O)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccnn1C1CCCCC1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccnn1C1CCCCC1 C1CCC(CC1)[*:1] CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccnn1[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccnn1C1CCCCC1 CC[C@@H](C)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccnn1C1CCCCC1)C(=O)N[*:1]
Cc1sc2ncnc(NCc3nnc4c(Cl)cc(C(F)(F)F)cn34)c2c1C FC(F)(F)[*:1] Cc1sc2ncnc(NCc3nnc4c(Cl)cc(cn34)[*:1])c2c1C
C[C@H](O)C[C@@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 C[C@H](O)[*:1] CC(C)(C)OC(=O)N1CC[C@@](C1)(C[*:1])C(=O)[O-]
C[C@H](O)C[C@@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C[C@H](O)C[C@]1(CCN(C1)C(=O)O[*:1])C(=O)[O-]
C[C@H](O)C[C@@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 O=C([O-])[*:1] C[C@H](O)C[C@]1(CCN(C1)C(=O)OC(C)(C)C)[*:1]
C[C@H](O)C[C@@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 C[C@H](O)C[*:1] CC(C)(C)OC(=O)N1CC[C@@](C1)(C(=O)[O-])[*:1]
CSc1cc(C(=O)NC[C@](C)(O)c2ccsc2)ccn1 c1cc(cs1)[*:1] CSc1cc(ccn1)C(=O)NC[C@](C)(O)[*:1]
CCc1nnc(NC(=O)CCC(=O)Nc2ccc(OC)c(Cl)c2)s1 CCc1nnc(s1)[*:1] COc1ccc(cc1Cl)NC(=O)CCC(=O)N[*:1]
CC(=O)c1c(F)cccc1-n1cc[n+](CC(=O)N[C@H]2CCCC[C@@H]2C)c1 CC(=O)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C[n+]1ccn(c1)-c1cccc(F)c1[*:1]
CC(C)(C)c1noc(Cn2cnc3ccc(Cl)cc3c2=O)n1 CC(C)(C)[*:1] O=c1c2cc(Cl)ccc2ncn1Cc1nc(no1)[*:1]
CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCCCO2 c1cc2OCCCOc2cc1[*:1] CC(C)[C@@H](NS(=O)(=O)c1ccc2OCCCOc2c1)C(=O)N[*:1]
CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCCCO2 c1cc2OCCCOc2cc1[*:1] CC(C)[C@@H](NS(=O)(=O)[*:1])C(=O)Nc1ccc2OCCCOc2c1
CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCCCO2 CC(C)[*:1] O=C(Nc1ccc2OCCCOc2c1)[C@H](NS(=O)(=O)c1ccc2OCCCOc2c1)[*:1]
CCCOc1ccc([C@H]2CC(=O)NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]32)cc1 CCCOc1ccc(cc1)[*:1] O=C1C[C@@H]([C@H]2C(=O)N=C(N=C2N1)SCc1ccccc1F)[*:1]
CCCOc1ccc([C@H]2CC(=O)NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]32)cc1 Fc1ccccc1C[*:1] CCCOc1ccc(cc1)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)S[*:1]
CCCOc1ccc([C@H]2CC(=O)NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]32)cc1 CCC[*:1] O=C1C[C@H](c2ccc(cc2)O[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1ccccc1F
CCCOc1ccc([C@H]2CC(=O)NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]32)cc1 Fc1ccccc1[*:1] CCCOc1ccc(cc1)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)SC[*:1]
CCCOc1ccc([C@H]2CC(=O)NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]32)cc1 CCCO[*:1] O=C1C[C@H](c2ccc(cc2)[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1ccccc1F
O=C(/C=C/c1ccccc1)Nc1cccc(N2CCCCC2=O)c1 C(=C[*:1])c1ccccc1 O=C1CCCCN1c1cccc(c1)NC(=O)[*:1]
O=C(/C=C/c1ccccc1)Nc1cccc(N2CCCCC2=O)c1 c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1cccc(c1)N1CCCCC1=O
O=C(/C=C/c1ccccc1)Nc1cccc(N2CCCCC2=O)c1 O=C1CCCCN1[*:1] O=C(/C=C/c1ccccc1)Nc1cccc(c1)[*:1]
Cc1ccc2ncnc(N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c2c1 CC(C)(C)OC(=O)N[*:1] Cc1ccc2ncnc(c2c1)N(C)[C@@H](C)C[*:1]
Cc1ccc2ncnc(N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c2c1 CC(C)(C)[*:1] Cc1ccc2ncnc(c2c1)N(C)[C@@H](C)CNC(=O)O[*:1]
Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc4ccccc34)n2N)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1SCC(=O)Nc1cccc2ccccc12)NN=C[*:1]
Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc4ccccc34)n2N)cc1 c1ccc2c(cccc2c1)[*:1] Cc1ccc(/C=N/Nc2nnc(SCC(=O)N[*:1])n2N)cc1
Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc4ccccc34)n2N)cc1 Cc1ccc(/C=N/N[*:1])cc1 Nn1c(nnc1[*:1])SCC(=O)Nc1cccc2ccccc12
COC(=O)[C@@H](NC(=O)c1cccnc1Cl)c1ccc(F)c(F)c1 Clc1ncccc1[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC(=O)[C@@H](NC(=O)c1cccnc1Cl)c1ccc(F)c(F)c1 COC(=O)[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])c1cccnc1Cl
O=C(/C=C/c1cccs1)N(Cc1ccccn1)c1ccc(F)cc1F C(=C[*:1])c1cccs1 O=C(N(Cc1ccccn1)c1ccc(F)cc1F)[*:1]
O=C(/C=C/c1cccs1)N(Cc1ccccn1)c1ccc(F)cc1F c1csc(c1)[*:1] O=C(C=C[*:1])N(Cc1ccccn1)c1ccc(F)cc1F
O=C(/C=C/c1cccs1)N(Cc1ccccn1)c1ccc(F)cc1F c1ccc(C[*:1])nc1 O=C(/C=C/c1cccs1)N(c1ccc(F)cc1F)[*:1]
O=C(/C=C/c1cccs1)N(Cc1ccccn1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(/C=C/c1cccs1)N(Cc1ccccn1)[*:1]
O=C(/C=C/c1cccs1)N(Cc1ccccn1)c1ccc(F)cc1F c1ccc(nc1)[*:1] O=C(/C=C/c1cccs1)N(C[*:1])c1ccc(F)cc1F
CC[C@H](C)n1ncc(C(=O)OC[C@H]2CCCCO2)c1C1CC1 C1CC[C@@H](OC1)[*:1] CC[C@H](C)n1ncc(C(=O)OC[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)OC[C@H]2CCCCO2)c1C1CC1 C1CC[C@H](C[*:1])OC1 CC[C@H](C)n1ncc(C(=O)O[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)OC[C@H]2CCCCO2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)OC[C@H]2CCCCO2)c1[*:1]
CC[C@H](C)n1ncc(C(=O)OC[C@H]2CCCCO2)c1C1CC1 CC[C@H](C)[*:1] O=C(OC[C@H]1CCCCO1)c1cnn(c1C1CC1)[*:1]
CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CNC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 c1ccc(cc1)C[*:1] CCN(C(=O)CNC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
C[C@@H](NC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(Cl)c(Cl)c1 Cn1ccnc1[*:1] C[C@@H](NC(=O)NCC[C@](O)(C(F)(F)F)[*:1])c1ccc(Cl)c(Cl)c1
C[C@@H](NC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@@H](NC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)[*:1]
C[C@@H](NC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(Cl)c(Cl)c1 FC(F)(F)[*:1] C[C@@H](NC(=O)NCC[C@](O)(c1nccn1C)[*:1])c1ccc(Cl)c(Cl)c1
O=C(NC(c1cccs1)c1cccs1)c1cccc2cc[nH]c12 c1csc(c1)[*:1] O=C(NC(c1cccs1)[*:1])c1cccc2cc[nH]c12
Cc1ccc(NC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1nc2c(nc3ccccc3n2c1=O)N1CCOCC1)N[*:1]
Cc1ccc(NC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)NC(=O)Cn1nc2c(nc3ccccc3n2c1=O)[*:1]
Cc1ccc(NC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=c1n(C[*:1])nc2c(nc3ccccc3n12)N1CCOCC1
C/[NH+]=C(/NC[C@H](C)Oc1ccccc1F)N1CC[C@H]([NH+]2CCCC2)C1 Fc1ccccc1O[*:1] C/[NH+]=C(/NC[C@H](C)[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
C/[NH+]=C(/NC[C@H](C)Oc1ccccc1F)N1CC[C@H]([NH+]2CCCC2)C1 Fc1ccccc1[*:1] C/[NH+]=C(/NC[C@H](C)O[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1C(=O)NC[*:1]
O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1C(=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1C(=O)N[*:1]
O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1C(=O)NCC[*:1]
O=c1c2sccc2ncn1Cc1csc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=c1c2sccc2ncn1Cc1csc(n1)[*:1]
O=c1c2sccc2ncn1Cc1csc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=c1c2sccc2ncn1Cc1csc(C[*:1])n1
Cc1[nH]c(-c2cccc(C(=O)[O-])c2)c[nH+]1 O=C([O-])[*:1] Cc1[nH]c(c[nH+]1)-c1cccc(c1)[*:1]
CCNC(=O)[C@@H](C)Sc1nnc(C)n1-c1ccccc1 CCNC(=O)[*:1] Cc1nnc(S[C@H](C)[*:1])n1-c1ccccc1
CCNC(=O)[C@@H](C)Sc1nnc(C)n1-c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)[C@@H](C)Sc1nnc(C)n1[*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H](Sc2ccncn2)C1 O=C([O-])[*:1] CC(C)[NH2+][C@@]1(CC[C@@H](C1)Sc1ccncn1)[*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H](Sc2ccncn2)C1 CC(C)[*:1] O=C([O-])[C@]1(CC[C@@H](C1)Sc1ccncn1)[NH2+][*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H](Sc2ccncn2)C1 c1cc(ncn1)[*:1] CC(C)[NH2+][C@@]1(CC[C@@H](C1)S[*:1])C(=O)[O-]
CCOC(=O)[C@@]1(Nc2cccc(OC)c2)CCCC1(C)C CCOC(=O)[*:1] COc1cccc(c1)N[C@]1(CCCC1(C)C)[*:1]
COc1cc(C=O)ccc1OCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 COc1cc(C=O)ccc1[*:1] O=C(CO[*:1])N1N=C(C[C@H]1c1ccco1)c1cc2ccccc2o1
COc1cc(C=O)ccc1OCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 c1ccc2oc(cc2c1)[*:1] COc1cc(C=O)ccc1OCC(=O)N1N=C(C[C@H]1c1ccco1)[*:1]
COc1cc(C=O)ccc1OCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 c1coc(c1)[*:1] COc1cc(C=O)ccc1OCC(=O)N1N=C(C[C@@H]1[*:1])c1cc2ccccc2o1
COc1cc(C=O)ccc1OCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 COc1cc(C=O)ccc1O[*:1] O=C(C[*:1])N1N=C(C[C@H]1c1ccco1)c1cc2ccccc2o1
CN(C)c1c(Cl)cccc1NC(=O)COCC[NH3+] [NH3+]CCOC[*:1] CN(C)c1c(Cl)cccc1NC(=O)[*:1]
CN(C)c1c(Cl)cccc1NC(=O)COCC[NH3+] CN(C)[*:1] [NH3+]CCOCC(=O)Nc1cccc(Cl)c1[*:1]
COc1ccccc1OCCNC(=O)Cn1sc2ccccc2c1=O COc1ccccc1[*:1] O=C(Cn1sc2ccccc2c1=O)NCCO[*:1]
COc1cc2cc(C#N)c(SCC(=O)c3ccc4c(c3)OCCO4)nc2cc1OC c1cc2OCCOc2cc1[*:1] COc1cc2cc(C#N)c(nc2cc1OC)SCC(=O)[*:1]
C[C@H](NC(=O)/C=C/C1CCCCC1)c1cccc(C#N)c1 C1CCC(CC1)[*:1] C[C@H](NC(=O)C=C[*:1])c1cccc(C#N)c1
Cc1cccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
Cc1cccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
N#Cc1ccc(F)c(CNC(=O)NCC[C@H](O)c2ccccc2)c1 O[C@H](c1ccccc1)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)NCC[*:1]
N#Cc1ccc(F)c(CNC(=O)NCC[C@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)NCC[C@H](O)[*:1]
COc1ccccc1C1(CNC(=O)NC[C@@H](O)c2cnn(C)c2)CCCC1 Cn1cc(cn1)[*:1] COc1ccccc1C1(CCCC1)CNC(=O)NC[C@@H](O)[*:1]
COc1ccccc1C1(CNC(=O)NC[C@@H](O)c2cnn(C)c2)CCCC1 COc1ccccc1[*:1] Cn1cc(cn1)[C@H](O)CNC(=O)NCC1(CCCC1)[*:1]
CC(C)Nc1ccc(F)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)Nc1ccc(F)cc1NC(=O)COc1ccc(cc1)[*:1]
CC(C)Nc1ccc(F)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 CC(C)[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])Nc1cc(F)ccc1N[*:1]
CC(C)Nc1ccc(F)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 CC(C)N[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])Nc1cc(F)ccc1[*:1]
O=C(Nc1cccc(Oc2ccccc2)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)O[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1
O=C(Nc1cccc(Oc2ccccc2)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 c1ccc(cc1)O[*:1] O=C(Nc1cccc(c1)[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1
O=C(Nc1cccc(Oc2ccccc2)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)Oc1ccccc1)C1CCN(CC1)C(=O)[*:1]
CC(=O)N(c1nc(COC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cs1)c1ccccc1F Fc1ccccc1[*:1] CC(=O)N(c1nc(cs1)COC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(F)cc1)[*:1]
CC(=O)N(c1nc(COC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cs1)c1ccccc1F Fc1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)COC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1ccccc1F
CC(=O)N(c1nc(COC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cs1)c1ccccc1F CC(=O)N(c1ccccc1F)[*:1] O=C(OCc1csc(n1)[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(F)cc1
CC(C)c1[nH+]ccn1[C@@H]1CCCC[C@@H]1C#N CC(C)[*:1] N#C[C@H]1CCCC[C@H]1n1cc[nH+]c1[*:1]
O=C(Cc1ccc(F)cc1F)NCC1(c2ccc(F)cc2)CCOCC1 Fc1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1F)NCC1(CCOCC1)[*:1]
O=C(Cc1ccc(F)cc1F)NCC1(c2ccc(F)cc2)CCOCC1 Fc1ccc(c(F)c1)[*:1] O=C(C[*:1])NCC1(CCOCC1)c1ccc(F)cc1
CSC[C@H](C)NC(=O)NC[C@H]1Cc2ccccc2O1 CSC[C@H](C)[*:1] O=C(NC[C@H]1Cc2ccccc2O1)N[*:1]
CSC[C@H](C)NC(=O)NC[C@H]1Cc2ccccc2O1 CSC[*:1] C[C@H](NC(=O)NC[C@H]1Cc2ccccc2O1)[*:1]
C[NH2+][C@H](Cc1ccc(Br)cc1)[C@@]1([NH+](C)C)CCC[C@H](C)C1 Brc1ccc(cc1)[*:1] C[NH2+][C@H](C[*:1])[C@]1(CCC[C@H](C)C1)[NH+](C)C
Cc1nnc(N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)s1 Cc1nnc(s1)[*:1] CN(C[C@H](O)COc1ccc(cc1)C(F)(F)F)[*:1]
Cc1nnc(N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)s1 FC(F)(F)[*:1] Cc1nnc(s1)N(C)C[C@H](O)COc1ccc(cc1)[*:1]
C[NH+](C)C1([C@H](N)c2ccoc2)CCCCCC1 c1cc(co1)[*:1] C[NH+](C)C1(CCCCCC1)[C@H](N)[*:1]
CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1sc(CCOC)nc1C COCC[*:1] CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1sc(nc1C)[*:1]
CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1sc(CCOC)nc1C COC[*:1] CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1sc(C[*:1])nc1C
Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)n1 Fc1ccccc1[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)CSc1nnc(n1C1CCCCC1)[*:1]
Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)n1 Cc1csc(n1)[*:1] N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1)[*:1]
Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)n1 C1CCC(CC1)[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)CSc1nnc(-c2ccccc2F)n1[*:1]
C[C@H]1CCCN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)C1 FC(F)(F)[*:1] C[C@H]1CCCN(C1)C(=O)c1ccc2[nH]c(nc2c1)[*:1]
Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)C(C)C)cc1 Cc1ccc(cc1)[*:1] Cc1c(ccc2c3CCCc3c(=O)oc12)OC(=O)[C@@H](NS(=O)(=O)[*:1])C(C)C
Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1C)[*:1]
Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)C(C)C)cc1 Cc1ccc(cc1)S(=O)(=O)N[*:1] Cc1c(ccc2c3CCCc3c(=O)oc12)OC(=O)[C@H](C(C)C)[*:1]
O=C(c1ccc(COc2ccccc2)o1)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(c1ccc(COc2ccccc2)o1)N1CCC[C@@H]1[*:1]
O=C(c1ccc(COc2ccccc2)o1)N1CCC[C@H]1c1cccs1 c1ccc(cc1)O[*:1] O=C(c1ccc(C[*:1])o1)N1CCC[C@H]1c1cccs1
O=C(c1ccc(COc2ccccc2)o1)N1CCC[C@H]1c1cccs1 c1ccc(cc1)[*:1] O=C(c1ccc(CO[*:1])o1)N1CCC[C@H]1c1cccs1
O=C(c1ccc(COc2ccccc2)o1)N1CCC[C@H]1c1cccs1 c1ccc(cc1)OC[*:1] O=C(c1ccc(o1)[*:1])N1CCC[C@H]1c1cccs1
O=C(C[C@H]1C[NH2+]CCO1)N(CCO)[C@H]1CCS(=O)(=O)C1 OCC[*:1] O=C(C[C@H]1C[NH2+]CCO1)N([C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(/C=C(/C#N)C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)cc1 COc1ccc(cc1)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)C(C#N)=C[*:1]
Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)N[*:1]
Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 Cc1csc(=O)n1[*:1] C[C@H](OC(=O)CC[*:1])C(=O)Nc1cccc(C#N)c1
Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 Cc1csc(=O)n1C[*:1] C[C@H](OC(=O)C[*:1])C(=O)Nc1cccc(C#N)c1
Cc1cccc(CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 Cc1cccc(c1)[*:1] Cc1ccc(c(C)c1NC(=O)C[*:1])[N+](=O)[O-]
Cc1cccc(CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)CC(=O)Nc1c(C)ccc(c1C)[*:1]
Cc1cc(N[C@@H](C)C(=O)NCC(F)(F)F)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] Cc1cc(nc(n1)[*:1])N[C@@H](C)C(=O)NCC(F)(F)F
Cc1cc(N[C@@H](C)C(=O)NCC(F)(F)F)nc(-c2ccncc2)n1 O=C(NCC(F)(F)F)[*:1] Cc1cc(nc(n1)-c1ccncc1)N[C@@H](C)[*:1]
Cc1cc(N[C@@H](C)C(=O)NCC(F)(F)F)nc(-c2ccncc2)n1 FC(F)(F)[*:1] Cc1cc(nc(n1)-c1ccncc1)N[C@@H](C)C(=O)NC[*:1]
Cc1cc(N[C@@H](C)C(=O)NCC(F)(F)F)nc(-c2ccncc2)n1 FC(F)(F)C[*:1] Cc1cc(nc(n1)-c1ccncc1)N[C@@H](C)C(=O)N[*:1]
O=C(NC[C@H]1CCCO1)c1cccc(NCC(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] O=C(NC[C@H]1CCCO1)c1cccc(c1)NC[*:1]
COc1ccccc1N1CCN(C(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)CC1 COc1ccccc1[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CC(=O)N2CCN(CC2)[*:1])n1
COc1ccccc1N1CCN(C(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)CC1 Cc1cc(C)n(n1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)Cn1nc(ccc1=O)[*:1]
CCC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 CCC(=O)O[*:1] CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(cc1)[*:1]
CC(=O)c1cccc(OCc2nc(CC(=O)NC3CCCC3)no2)c1 CC(=O)[*:1] O=C(Cc1noc(COc2cccc(c2)[*:1])n1)NC1CCCC1
CC(=O)c1cccc(OCc2nc(CC(=O)NC3CCCC3)no2)c1 C1CCC(C1)[*:1] CC(=O)c1cccc(c1)OCc1nc(CC(=O)N[*:1])no1
CC(=O)c1cccc(OCc2nc(CC(=O)NC3CCCC3)no2)c1 O=C(NC1CCCC1)[*:1] CC(=O)c1cccc(c1)OCc1nc(C[*:1])no1
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc4c(c3)OCO4)CC2=O)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NN=C[*:1]
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc4c(c3)OCO4)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(N/N=C/c1ccc2OCOc2c1)[C@H]1CC(=O)N(C1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)NCc1nncn1CC CC[C@@H](C)C[*:1] CCn1cnnc1CNC(=O)N[C@@H](C)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)NCc1nncn1CC CC[C@@H](C)[*:1] CCn1cnnc1CNC(=O)N[C@@H](C)C[*:1]
CCCCCn1c(=O)c2c(nc3n(-c4ccccc4OCC)c(C)cn23)n(C)c1=O CCC[*:1] CCOc1ccccc1-n1c(C)cn2c3c(=O)n(CC[*:1])c(=O)n(C)c3nc12
CCCCCn1c(=O)c2c(nc3n(-c4ccccc4OCC)c(C)cn23)n(C)c1=O CCCC[*:1] CCOc1ccccc1-n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CCCCCn1c(=O)c2c(nc3n(-c4ccccc4OCC)c(C)cn23)n(C)c1=O CCCCC[*:1] CCOc1ccccc1-n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
CCCCCn1c(=O)c2c(nc3n(-c4ccccc4OCC)c(C)cn23)n(C)c1=O CCO[*:1] CCCCCn1c(=O)c2c(nc3n(-c4ccccc4[*:1])c(C)cn23)n(C)c1=O
CCCCCn1c(=O)c2c(nc3n(-c4ccccc4OCC)c(C)cn23)n(C)c1=O CCOc1ccccc1[*:1] CCCCCn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
CC[C@H](Nc1snc(Cl)c1C#N)c1cccs1 c1csc(c1)[*:1] CC[C@H](Nc1snc(Cl)c1C#N)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(C(N)=O)o2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)NCc1ccc(o1)C(N)=O)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(C(N)=O)o2)C(C)C)cc1 NC(=O)c1ccc(o1)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)NC[*:1])C(C)C
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(C(N)=O)o2)C(C)C)cc1 NC(=O)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)NCc1ccc(o1)[*:1])C(C)C
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(C(N)=O)o2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NCc1ccc(o1)C(N)=O
CC(C)c1nnc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)s1 c1ccc(cc1)[*:1] CC(C)c1nnc(NC(=O)c2cnn3c(ccnc23)[*:1])s1
CC(C)c1nnc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)s1 CC(C)[*:1] O=C(Nc1nnc(s1)[*:1])c1cnn2c(ccnc12)-c1ccccc1
CC(C)c1nnc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)s1 CC(C)c1nnc(s1)[*:1] O=C(N[*:1])c1cnn2c(ccnc12)-c1ccccc1
Cc1nc2c(sc3nc(-c4ccccc4)ccc32)c(=O)n1CC(=O)Nc1cccc(Cl)c1 O=C(Nc1cccc(Cl)c1)[*:1] Cc1nc2c(sc3nc(ccc32)-c2ccccc2)c(=O)n1C[*:1]
Cc1nc2c(sc3nc(-c4ccccc4)ccc32)c(=O)n1CC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nc2c(sc3nc(ccc32)-c2ccccc2)c(=O)n1CC(=O)N[*:1]
Cc1nc2c(sc3nc(-c4ccccc4)ccc32)c(=O)n1CC(=O)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] Cc1nc2c(sc3nc(ccc32)[*:1])c(=O)n1CC(=O)Nc1cccc(Cl)c1
C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H]1[*:1]
C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1c1ccccc1Cl c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCC[C@@H]1c1ccccc1Cl
C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1c1ccccc1Cl O=C(N[*:1])c1ccco1 C[C@H](C(=O)N1CCC[C@@H]1c1ccccc1Cl)[*:1]
Cn1nc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n(-c2ccccc2)c1=O Clc1ccc(cc1)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)[*:1])n(-c2ccccc2)c1=O
Cn1nc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)c2ccc(Cl)cc2)n(c1=O)[*:1]
CCCCN1C(=O)/C(=c2\sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)c2ccccc21 CCC[*:1] COc1cc(cc(OC)c1OC)-c1nc2s/c(=C3\C(=O)N(C[*:1])c4ccccc43)c(=O)n2n1
CCCCN1C(=O)/C(=c2\sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)c2ccccc21 CCCC[*:1] COc1cc(cc(OC)c1OC)-c1nc2s/c(=C3\C(=O)N(c4ccccc43)[*:1])c(=O)n2n1
CCc1cnc(CN(C)Cn2nc(-c3cccs3)oc2=S)s1 c1csc(c1)[*:1] CCc1cnc(CN(C)Cn2nc(oc2=S)[*:1])s1
CCc1cnc(CN(C)Cn2nc(-c3cccs3)oc2=S)s1 CCc1cnc(s1)[*:1] CN(Cn1nc(oc1=S)-c1cccs1)C[*:1]
COc1ccc(C)cc1C1(CNC(=O)c2n[nH]c(=O)c3ccccc23)CCOCC1 COc1ccc(C)cc1[*:1] O=C(NCC1(CCOCC1)[*:1])c1n[nH]c(=O)c2ccccc12
CCCCC[C@@H](C)NC(=O)C(F)(F)F CCCC[*:1] C[C@H](C[*:1])NC(=O)C(F)(F)F
CCCCC[C@@H](C)NC(=O)C(F)(F)F FC(F)(F)[*:1] CCCCC[C@@H](C)NC(=O)[*:1]
CCCCC[C@@H](C)NC(=O)C(F)(F)F CCC[*:1] C[C@H](CC[*:1])NC(=O)C(F)(F)F
C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O c1ccc(cc1)C[*:1] C[C@@]1(NC(=O)N(CC(=O)N([C@H]2CCS(=O)(=O)C2)[*:1])C1=O)c1cc(F)ccc1F
C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O Fc1ccc(F)c(c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O)[*:1]
C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N(C[*:1])[C@H]2CCS(=O)(=O)C2)C1=O)c1cc(F)ccc1F
Cn1cc(CCC(=O)N2CCC(O)(C(F)(F)F)CC2)c2ccccc21 FC(F)(F)[*:1] Cn1cc(CCC(=O)N2CCC(O)(CC2)[*:1])c2ccccc21
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[*:1]
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 C[C@@H]1CCCCN1C(=O)[*:1] c1ccc2c(c[nH]c2c1)-c1nnc(SC[*:1])n1C[C@@H]1CCCO1
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1[*:1]
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnc(n1C[C@@H]1CCCO1)[*:1]
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 C[C@@H]1CCCCN1C(=O)C[*:1] c1ccc2c(c[nH]c2c1)-c1nnc(S[*:1])n1C[C@@H]1CCCO1
CNC(=O)c1cccc(N2CC[C@H](c3ccc(OC)cc3)C2)n1 CNC(=O)[*:1] COc1ccc(cc1)[C@H]1CCN(C1)c1cccc(n1)[*:1]
C[C@@H](CNC(=O)N1CCN(c2ncccc2F)CC1)C[NH+]1CCCCC1 Fc1cccnc1[*:1] C[C@@H](CNC(=O)N1CCN(CC1)[*:1])C[NH+]1CCCCC1
Cc1cc(C)c(NC(=O)CN2C(=O)c3cccc4c(Cl)ccc(c34)C2=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CN1C(=O)c2cccc3c(Cl)ccc(C1=O)c23)N[*:1]
CCC[NH2+][C@H](c1ccncc1)c1ccc(Cl)cc1F c1cc(ccn1)[*:1] CCC[NH2+][C@H](c1ccc(Cl)cc1F)[*:1]
CCC[NH2+][C@H](c1ccncc1)c1ccc(Cl)cc1F CCC[*:1] Fc1cc(Cl)ccc1[C@H]([NH2+][*:1])c1ccncc1
CCc1ccc(C[NH+](C)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)C[NH+](C)Cn1nc(ccc1=O)-c1cccc(c1)[*:1]
CCc1ccc(C[NH+](C)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CCc1ccc(cc1)C[NH+](C)Cn1nc(ccc1=O)[*:1]
CCc1ccc(C[NH+](C)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1 CCc1ccc(cc1)[*:1] C[NH+](Cn1nc(ccc1=O)-c1cccc(c1)[N+](=O)[O-])C[*:1]
CCc1ccc(C[NH+](C)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1 CCc1ccc(cc1)C[*:1] C[NH+](Cn1nc(ccc1=O)-c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccccc1CNC(=O)CNc1ccc(Cl)cc1NC(=O)c1ccco1 Cc1ccccc1[*:1] O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)NC[*:1]
Cc1ccccc1CNC(=O)CNc1ccc(Cl)cc1NC(=O)c1ccco1 Cc1ccccc1C[*:1] O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)N[*:1]
Cc1ccccc1CNC(=O)CNc1ccc(Cl)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1ccccc1CNC(=O)CNc1ccc(Cl)cc1[*:1]
Cc1ccccc1CNC(=O)CNc1ccc(Cl)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccccc1CNC(=O)CNc1ccc(Cl)cc1NC(=O)[*:1]
COCc1cc(NC(=O)N(C)[C@@H]2C[C@](C)(OC)C2(C)C)ncn1 COC[*:1] CO[C@@]1(C)C[C@@H](N(C)C(=O)Nc2cc(ncn2)[*:1])C1(C)C
Cc1oc(CSC[C@@H](C)CO)cc1C(=O)NN C[C@@H](CO)C[*:1] Cc1oc(cc1C(=O)NN)CS[*:1]
Cc1oc(CSC[C@@H](C)CO)cc1C(=O)NN NNC(=O)[*:1] Cc1oc(cc1[*:1])CSC[C@@H](C)CO
Cc1oc(CSC[C@@H](C)CO)cc1C(=O)NN C[C@@H](CO)[*:1] Cc1oc(cc1C(=O)NN)CSC[*:1]
Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc43)c(=O)[nH]c2c1 CC(C)(C)[*:1] Cc1ccc2cc(c(=O)[nH]c2c1)[C@H](c1nnnn1[*:1])N1CCc2ccccc21
Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc43)c(=O)[nH]c2c1 c1ccc2c(c1)CCN2[*:1] Cc1ccc2cc(c(=O)[nH]c2c1)[C@H](c1nnnn1C(C)(C)C)[*:1]
Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc43)c(=O)[nH]c2c1 CC(C)(C)n1nnnc1[*:1] Cc1ccc2cc(c(=O)[nH]c2c1)[C@H](N1CCc2ccccc21)[*:1]
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 c1cc2OCOc2cc1[*:1] CC(C)(C)OC(=O)N1CCN(C(=O)[*:1])[C@@H](C1)C(=O)[O-]
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 CC(C)(C)[*:1] O=C([O-])[C@@H]1CN(CCN1C(=O)c1ccc2OCOc2c1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3OCOc3c2)[C@H](C1)[*:1]
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(c1)[*:1]
O=C(Nc1ccncc1)NC1(c2ccc(F)cc2F)CCOCC1 Fc1ccc(c(F)c1)[*:1] O=C(Nc1ccncc1)NC1(CCOCC1)[*:1]
O=C(Nc1ccncc1)NC1(c2ccc(F)cc2F)CCOCC1 c1cc(ccn1)[*:1] O=C(NC1(CCOCC1)c1ccc(F)cc1F)N[*:1]
O=C(NCCCN1CCOCC1)N[C@H]1CCS(=O)(=O)C1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])N[C@H]1CCS(=O)(=O)C1
O=C(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)N1CCC(CC1)[*:1]
O=C(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc2c(c1)CCCN2S(=O)(=O)[*:1])N1CCC(CC1)Cc1ccccc1
O=C(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)N1CCC(CC1)C[*:1]
COc1ccccc1[C@H]1CCN(Cc2ccco2)C1 c1coc(c1)[*:1] COc1ccccc1[C@H]1CCN(C1)C[*:1]
COc1ccccc1[C@H]1CCN(Cc2ccco2)C1 c1coc(c1)C[*:1] COc1ccccc1[C@H]1CCN(C1)[*:1]
Cn1c(C(=O)Nc2ccccc2Br)cc2c(F)cccc21 Brc1ccccc1[*:1] Cn1c(cc2c(F)cccc21)C(=O)N[*:1]
Cc1nn([C@@H](C)C(=O)N2CCC([NH+]3CCCCC3)CC2)c(=O)c2nn(-c3ccccc3)c(C)c12 c1ccc(cc1)[*:1] Cc1nn(c(=O)c2nn(c(C)c12)[*:1])[C@@H](C)C(=O)N1CCC(CC1)[NH+]1CCCCC1
O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1nccs1 c1csc(n1)[*:1] O=C(CSCc1nc2sc3CCCCc3c2c(=O)[nH]1)N[*:1]
O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1nccs1 O=C(Nc1nccs1)[*:1] O=c1[nH]c(CSC[*:1])nc2sc3CCCCc3c12
O=C(Nc1ccc(N2CCOCC2)nc1)c1cccnc1N1CCCC1 C1CN(CCO1)[*:1] O=C(Nc1ccc(nc1)[*:1])c1cccnc1N1CCCC1
O=C(Nc1ccc(N2CCOCC2)nc1)c1cccnc1N1CCCC1 C1CCN(C1)[*:1] O=C(Nc1ccc(nc1)N1CCOCC1)c1cccnc1[*:1]
NC(=O)CCOc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1 NC(=O)CCO[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCc2cc(F)ccc2C1
NC(=O)CCOc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1 NC(=O)C[*:1] O=C(Nc1ccc(cc1)OC[*:1])N1CCc2cc(F)ccc2C1
NC(=O)CCOc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1 NC(=O)CC[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CCc2cc(F)ccc2C1
NC(=O)CCOc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)OCC[*:1])N1CCc2cc(F)ccc2C1
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]([C@H]1C(=O)[O-])C21CC1 O=C([O-])[*:1] O=C([O-])[C@@H]1[C@@H]2CC[C@H](C[C@H]1[*:1])C21CC1
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]([C@H]1C(=O)[O-])C21CC1 O=C([O-])[*:1] O=C([O-])[C@@H]1C[C@H]2CC[C@@H]([C@@H]1[*:1])C21CC1
COC(=O)c1ccc(NC(=O)Cc2cc(-c3ccc(F)cc3F)on2)cc1 Fc1ccc(c(F)c1)[*:1] COC(=O)c1ccc(cc1)NC(=O)Cc1cc(on1)[*:1]
COC(=O)c1ccc(NC(=O)Cc2cc(-c3ccc(F)cc3F)on2)cc1 COC(=O)[*:1] O=C(Cc1cc(on1)-c1ccc(F)cc1F)Nc1ccc(cc1)[*:1]
CC1(C)CN(C(=O)NCc2cccc(OCC(F)(F)F)c2)CCS1 FC(F)(F)CO[*:1] CC1(C)CN(CCS1)C(=O)NCc1cccc(c1)[*:1]
CC1(C)CN(C(=O)NCc2cccc(OCC(F)(F)F)c2)CCS1 FC(F)(F)C[*:1] CC1(C)CN(CCS1)C(=O)NCc1cccc(c1)O[*:1]
CC1(C)CN(C(=O)NCc2cccc(OCC(F)(F)F)c2)CCS1 FC(F)(F)[*:1] CC1(C)CN(CCS1)C(=O)NCc1cccc(c1)OC[*:1]
O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccc(F)cc1)c1cccc(c1)[*:1]
O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 Fc1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccccc1Cl Clc1ccccc1[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)CS[*:1]
CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccoc1 c1cc(ccn1)[*:1] CN(Cc1cc(no1)[*:1])C(=O)c1ccoc1
CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccoc1 c1cc(co1)[*:1] CN(Cc1cc(no1)-c1ccncc1)C(=O)[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)N(C)[C@H](C)c2cccc(O)c2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(O)c1)C[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)N(C)[C@H](C)c2cccc(O)c2)n1 Oc1cccc(c1)[*:1] Cc1cc(C)n(C[C@@H](C)CNC(=O)N(C)[C@H](C)[*:1])n1
Cc1cc(C)n(C[C@@H](C)CNC(=O)N(C)[C@H](C)c2cccc(O)c2)n1 Cc1cc(C)n(C[*:1])n1 C[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(O)c1)[*:1]
NC(=O)[C@H](N[C@H]1CCc2ccccc2C1)c1ccccc1 NC(=O)[*:1] c1ccc(cc1)[C@@H](N[C@H]1CCc2ccccc2C1)[*:1]
NC(=O)[C@H](N[C@H]1CCc2ccccc2C1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](N[C@H]1CCc2ccccc2C1)[*:1]
Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N N#CC[*:1] Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)[*:1]
Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N Cc1noc(C)c1[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)C[*:1]
Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N Cc1noc(C)c1C[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(C)[*:1]
CC(C)n1ncc2c1N=C(O)C[C@@H]2c1cccc(Cl)c1 CC(C)[*:1] OC1C[C@H](c2cccc(Cl)c2)c2cnn(c2N=1)[*:1]
CCCn1/c(=N/C(=O)CCS(=O)(=O)c2ccccc2)sc2cc(Cl)ccc21 CCC[*:1] O=C(CCS(=O)(=O)c1ccccc1)/N=c1\sc2cc(Cl)ccc2n1[*:1]
CCCn1/c(=N/C(=O)CCS(=O)(=O)c2ccccc2)sc2cc(Cl)ccc21 c1ccc(cc1)[*:1] CCCn1/c(=N/C(=O)CCS(=O)(=O)[*:1])sc2cc(Cl)ccc21
CCCn1/c(=N/C(=O)CCS(=O)(=O)c2ccccc2)sc2cc(Cl)ccc21 O=S(=O)(c1ccccc1)[*:1] CCCn1/c(=N/C(=O)CC[*:1])sc2cc(Cl)ccc21
CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCN1C(=O)CCC1=O CC(C)[*:1] O=C1CCC(=O)N1CC[C@H]1CCC[C@]1([NH2+][*:1])C(=O)[O-]
CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCN1C(=O)CCC1=O O=C1CCC(=O)N1[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H]1CC[*:1])C(=O)[O-]
CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCN1C(=O)CCC1=O O=C([O-])[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H]1CCN1C(=O)CCC1=O)[*:1]
Cc1ccc2c(c1)CCN2[C@H](C)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] Cc1ccc2c(c1)CCN2[C@H](C)[*:1]
C[C@@H](CCCO)NC(=O)NNc1cc(F)c(F)c(F)c1 C[C@@H](CCCO)[*:1] O=C(NNc1cc(F)c(F)c(F)c1)N[*:1]
C[C@@H](CCCO)NC(=O)NNc1cc(F)c(F)c(F)c1 OCC[*:1] C[C@@H](C[*:1])NC(=O)NNc1cc(F)c(F)c(F)c1
C[C@@H](CCCO)NC(=O)NNc1cc(F)c(F)c(F)c1 OCCC[*:1] C[C@@H](NC(=O)NNc1cc(F)c(F)c(F)c1)[*:1]
O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccco1)N(C(=O)C(F)(F)F)c1ccccc1N2 FC(F)(F)[*:1] O=C1C[C@H](CC2Nc3ccccc3N(C(=O)[*:1])[C@H](C=21)c1ccco1)c1ccco1
O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccco1)N(C(=O)C(F)(F)F)c1ccccc1N2 c1coc(c1)[*:1] O=C1C[C@H](CC2Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H](C=21)[*:1])c1ccco1
O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccco1)N(C(=O)C(F)(F)F)c1ccccc1N2 c1coc(c1)[*:1] O=C1C[C@@H](CC2Nc3ccccc3N(C(=O)C(F)(F)F)[C@H](C=21)c1ccco1)[*:1]
CC1(CNC(=[NH2+])NCc2ccccc2)CCCC1 CC1(CCCC1)[*:1] [NH2+]=C(NCc1ccccc1)NC[*:1]
CC1(CNC(=[NH2+])NCc2ccccc2)CCCC1 c1ccc(cc1)[*:1] CC1(CCCC1)CNC(=[NH2+])NC[*:1]
Cc1cccc(N2CCN(CC(=O)N3CC[C@@]4(CC(=O)NC4=O)C3)CC2)c1 Cc1cccc(c1)[*:1] O=C1C[C@@]2(CCN(C2)C(=O)CN2CCN(CC2)[*:1])C(=O)N1
Cc1cccc(N2CCN(c3ncc(NC(=O)c4ccccc4F)cc3C(=O)[O-])C[C@@H]2C)c1 Cc1cccc(c1)[*:1] C[C@H]1CN(CCN1[*:1])c1ncc(cc1C(=O)[O-])NC(=O)c1ccccc1F
Cc1cccc(N2CCN(c3ncc(NC(=O)c4ccccc4F)cc3C(=O)[O-])C[C@@H]2C)c1 O=C([O-])[*:1] Cc1cccc(c1)N1CCN(C[C@@H]1C)c1ncc(cc1[*:1])NC(=O)c1ccccc1F
Cc1cccc(N2CCN(c3ncc(NC(=O)c4ccccc4F)cc3C(=O)[O-])C[C@@H]2C)c1 O=C(N[*:1])c1ccccc1F Cc1cccc(c1)N1CCN(C[C@@H]1C)c1ncc(cc1C(=O)[O-])[*:1]
Cc1cccc(N2CCN(c3ncc(NC(=O)c4ccccc4F)cc3C(=O)[O-])C[C@@H]2C)c1 Fc1ccccc1[*:1] Cc1cccc(c1)N1CCN(C[C@@H]1C)c1ncc(cc1C(=O)[O-])NC(=O)[*:1]
CCOc1cc(CNC(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)ccn1 CCO[*:1] CC[S@](=O)[C@@H]1CCC[C@H](C1)NC(=O)NCc1ccnc(c1)[*:1]
Cc1c(C(=O)Nc2nnc(C(F)(F)F)s2)oc2ccccc12 FC(F)(F)[*:1] Cc1c(oc2ccccc12)C(=O)Nc1nnc(s1)[*:1]
CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 CS(=O)(=O)[*:1] O=C(/C=C/c1ccc(Cl)c(Cl)c1)O[C@@H]1CC[C@H](C1)[*:1]
Cc1cccc(C(=O)NNC(=S)Nc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cccc(C(=O)NNC(=S)N[*:1])c1[N+](=O)[O-]
Cc1cccc(C(=O)NNC(=S)Nc2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C(=O)NNC(=S)Nc2ccccc2)c1[*:1]
Cc1ccc(Cl)c(C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)c1 Cc1ccc(Cl)c(c1)[*:1] O=C(N1CCc2[nH]c(nc2C1)-c1ccccc1)[*:1]
Cc1ccc(Cl)c(C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)c1 c1ccc(cc1)[*:1] Cc1ccc(Cl)c(c1)C(=O)N1CCc2[nH]c(nc2C1)[*:1]
Cc1nc2cc(NC(=O)C(=O)NCCOc3ccccc3C)ccc2o1 Cc1ccccc1O[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NCC[*:1]
Cc1nc2cc(NC(=O)C(=O)NCCOc3ccccc3C)ccc2o1 Cc1ccccc1[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NCCO[*:1]
CCN1C[C@H](C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1=O CC(C)[*:1] CCN1C[C@@H](CC1=O)C(=O)Nc1cnc2c(cnn2[*:1])c1
CC(C)CC1(CNS(=O)(=O)c2c[nH]nc2N)CCCC1 CC(C)C[*:1] Nc1n[nH]cc1S(=O)(=O)NCC1(CCCC1)[*:1]
CC(C)CC1(CNS(=O)(=O)c2c[nH]nc2N)CCCC1 CC(C)[*:1] Nc1n[nH]cc1S(=O)(=O)NCC1(CCCC1)C[*:1]
CC(C)CC1(CNS(=O)(=O)c2c[nH]nc2N)CCCC1 Nc1n[nH]cc1[*:1] CC(C)CC1(CCCC1)CNS(=O)(=O)[*:1]
CCN(c1ccccc1)c1[nH+]cnc(Nc2nc3ccccc3s2)c1N c1ccc(cc1)[*:1] CCN(c1[nH+]cnc(Nc2nc3ccccc3s2)c1N)[*:1]
O=C(c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc(F)c1)[*:1]
O=C(c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(c1ccc(Cl)cc1Cl)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCc1ccnc(OC2CCC2)c1)c1[nH]ncc1Br C1CC(C1)[*:1] O=C(NCc1ccnc(c1)O[*:1])c1[nH]ncc1Br
O=C(NCc1ccnc(OC2CCC2)c1)c1[nH]ncc1Br Brc1cn[nH]c1[*:1] O=C(NCc1ccnc(c1)OC1CCC1)[*:1]
O=C(NCc1ccnc(OC2CCC2)c1)c1[nH]ncc1Br C1CC(C1)O[*:1] O=C(NCc1ccnc(c1)[*:1])c1[nH]ncc1Br
Cc1ccc(C(=O)NNc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])N1CCN(CC1)c1cccc(Cl)c1)[*:1]
Cc1ccc(C(=O)NNc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2[N+](=O)[O-])cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)NNc1ncnc(c1[N+](=O)[O-])N1CCN(CC1)[*:1]
Cc1ccc(C(=O)NNc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)C(=O)NN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1cccc(Cl)c1
Cc1ccc(C(=O)NNc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)NNc1ncnc(c1[*:1])N1CCN(CC1)c1cccc(Cl)c1
COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(CNC(C)=O)s1 COC(=O)[*:1] CC(=O)NCc1ccc(s1)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[*:1]
COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(CNC(C)=O)s1 CC(=O)NC[*:1] COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(s1)[*:1]
COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(CNC(C)=O)s1 CC(=O)N[*:1] COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(C[*:1])s1
Cc1cc(CSCCC(=O)N2CCN(c3ncccn3)CC2)no1 Cc1cc(C[*:1])no1 O=C(CCS[*:1])N1CCN(CC1)c1ncccn1
Cc1cc(CSCCC(=O)N2CCN(c3ncccn3)CC2)no1 c1cnc(nc1)[*:1] Cc1cc(CSCCC(=O)N2CCN(CC2)[*:1])no1
Cc1cc(CSCCC(=O)N2CCN(c3ncccn3)CC2)no1 Cc1cc(no1)[*:1] O=C(CCSC[*:1])N1CCN(CC1)c1ncccn1
Cc1cc(CSCCC(=O)N2CCN(c3ncccn3)CC2)no1 Cc1cc(CS[*:1])no1 O=C(CC[*:1])N1CCN(CC1)c1ncccn1
COc1cccc(CN2C[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)c1 COc1cccc(c1)[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1CCC(CC1)Cc1ccccc1
COc1cccc(CN2C[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CN1C[C@H](CC1=O)C(=O)N1CCC(CC1)C[*:1]
COc1cccc(CN2C[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)CN1C[C@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
COc1cccc(CN2C[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)c1 COc1cccc(c1)C[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC(CC1)Cc1ccccc1
CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCOc2ccccc21 O=[N+]([O-])[*:1] CCN(Cc1cccc(c1)[*:1])C(=O)[C@H]1CCOc2ccccc21
CC(=O)N[C@H](c1nccs1)C1CCN(C(=O)c2c(C(C)C)noc2C)CC1 c1csc(n1)[*:1] CC(=O)N[C@H](C1CCN(CC1)C(=O)c1c(noc1C)C(C)C)[*:1]
CC(=O)N[C@H](c1nccs1)C1CCN(C(=O)c2c(C(C)C)noc2C)CC1 Cc1onc(c1[*:1])C(C)C CC(=O)N[C@H](c1nccs1)C1CCN(CC1)C(=O)[*:1]
CC(=O)N[C@H](c1nccs1)C1CCN(C(=O)c2c(C(C)C)noc2C)CC1 CC(C)[*:1] CC(=O)N[C@H](c1nccs1)C1CCN(CC1)C(=O)c1c(noc1C)[*:1]
CC(=O)N[C@H](c1nccs1)C1CCN(C(=O)c2c(C(C)C)noc2C)CC1 CC(=O)N[*:1] Cc1onc(c1C(=O)N1CCC(CC1)[C@@H](c1nccs1)[*:1])C(C)C
C[C@@H](OC(=O)c1csc(-c2cccs2)n1)[C@H]1CCOC1 c1csc(c1)[*:1] C[C@@H](OC(=O)c1csc(n1)[*:1])[C@H]1CCOC1
C[C@@H](OC(=O)c1csc(-c2cccs2)n1)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@@H](OC(=O)c1csc(n1)-c1cccs1)[*:1]
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NN)c1 NNC(=O)[*:1] Cc1ccc(Cl)c(c1)O[C@@H](C)[*:1]
COc1cccc(N2C(=O)NC3=Nc4c(cnn4C(C)(C)C)[C@@H](c4cc(OC)c5c(c4)OCO5)[C@@H]32)c1 COc1cccc(c1)[*:1] COc1cc(cc2OCOc12)[C@@H]1c2cnn(c2N=C2NC(=O)N([C@H]21)[*:1])C(C)(C)C
COc1cccc(N2C(=O)NC3=Nc4c(cnn4C(C)(C)C)[C@@H](c4cc(OC)c5c(c4)OCO5)[C@@H]32)c1 CC(C)(C)[*:1] COc1cccc(c1)N1C(=O)NC2=Nc3c(cnn3[*:1])[C@@H](c3cc(OC)c4OCOc4c3)[C@@H]21
COc1cccc(N2C(=O)NC3=Nc4c(cnn4C(C)(C)C)[C@@H](c4cc(OC)c5c(c4)OCO5)[C@@H]32)c1 COc1cc(cc2OCOc12)[*:1] COc1cccc(c1)N1C(=O)NC2=Nc3c(cnn3C(C)(C)C)[C@@H]([C@@H]21)[*:1]
CCn1cc(S(=O)(=O)Oc2cccc(NC(=O)C3CC3)c2)cn1 CCn1cc(cn1)[*:1] O=C(Nc1cccc(c1)OS(=O)(=O)[*:1])C1CC1
CCn1cc(S(=O)(=O)Oc2cccc(NC(=O)C3CC3)c2)cn1 C1CC1[*:1] CCn1cc(cn1)S(=O)(=O)Oc1cccc(c1)NC(=O)[*:1]
CCn1cc(S(=O)(=O)Oc2cccc(NC(=O)C3CC3)c2)cn1 O=C(N[*:1])C1CC1 CCn1cc(cn1)S(=O)(=O)Oc1cccc(c1)[*:1]
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3C(N)=O)c12 NC(=O)[*:1] Cc1nn(c2nc(cc(C(=O)Nc3ccccc3[*:1])c12)-c1ccccc1)[C@@H]1CCS(=O)(=O)C1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3C(N)=O)c12 NC(=O)c1ccccc1[*:1] Cc1nn(c2nc(cc(C(=O)N[*:1])c12)-c1ccccc1)[C@@H]1CCS(=O)(=O)C1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3C(N)=O)c12 c1ccc(cc1)[*:1] Cc1nn(c2nc(cc(C(=O)Nc3ccccc3C(N)=O)c12)[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)N(C)C(=O)C1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 CC(C)N(C)C(=O)[*:1] O=C(c1cccc(c1)-n1cccc1)N1CCC(CC1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 CC(C)[*:1] CN(C(=O)C1CCN(CC1)C(=O)c1cccc(c1)-n1cccc1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 c1ccn(c1)[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CCOCCOc1ccccc1NC#N CCO[*:1] N#CNc1ccccc1OCC[*:1]
CCOCCOc1ccccc1NC#N N#CN[*:1] CCOCCOc1ccccc1[*:1]
CCOCCOc1ccccc1NC#N CCOC[*:1] N#CNc1ccccc1OC[*:1]
CCOCCOc1ccccc1NC#N CCOCC[*:1] N#CNc1ccccc1O[*:1]
Cc1ccc(CN(Cc2ccncc2)C(=S)Nc2cc(C)ccc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)NC(=S)N(Cc1ccncc1)[*:1]
Cc1ccc(CN(Cc2ccncc2)C(=S)Nc2cc(C)ccc2C)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)CN(Cc1ccncc1)C(=S)N[*:1]
Cc1ccc(CN(Cc2ccncc2)C(=S)Nc2cc(C)ccc2C)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)CN(C[*:1])C(=S)Nc1cc(C)ccc1C
Cc1ccc(CN(Cc2ccncc2)C(=S)Nc2cc(C)ccc2C)cc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1)CN(C(=S)Nc1cc(C)ccc1C)[*:1]
Cc1ccc(CN(Cc2ccncc2)C(=S)Nc2cc(C)ccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=S)N(Cc1ccncc1)C[*:1]
CC(C)(C)SCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CC(C)(C)[*:1] O=C(CS[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
CC(C)(C)SCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CC(C)(C)S[*:1] O=C(C[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
CC(C)(C)SCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CC(C)(C)SC[*:1] O=C(NC[C@@H]1C[C@]12CCc1ccccc12)[*:1]
CC1=NN(c2ccc(C(=O)N(C)[C@H]3CCC[C@H]3S(C)(=O)=O)cc2)CC1 CS(=O)(=O)[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N(C)[C@H]1CCC[C@@H]1[*:1]
COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)-n1cnc2c1N=C(O)C[C@H]2[*:1]
CC[C@@H]1COCCN1C(=O)c1cc(-c2cnn(C)c2)nc2cc(C)ccc12 Cn1cc(cn1)[*:1] CC[C@@H]1COCCN1C(=O)c1cc(nc2cc(C)ccc12)[*:1]
CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)nc([O-])c32)cc1OC Clc1cccc(c1)[*:1] CCOc1ccc(cc1OC)[C@@H]1CC(=O)Nc2nc(nc([O-])c21)SC[*:1]
CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)nc([O-])c32)cc1OC Clc1cccc(c1)CS[*:1] CCOc1ccc(cc1OC)[C@@H]1CC(=O)Nc2nc(nc([O-])c21)[*:1]
CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)nc([O-])c32)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(=O)Nc2nc(nc([O-])c21)SCc1cccc(Cl)c1
CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)nc([O-])c32)cc1OC Clc1cccc(c1)C[*:1] CCOc1ccc(cc1OC)[C@@H]1CC(=O)Nc2nc(nc([O-])c21)S[*:1]
Cc1cc(C)n(CC(=O)N2CCC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)CC2)n1 Cc1cc(C)n(C[*:1])n1 CN([C@@H]1CCCN(CC1)C(=O)[*:1])S(=O)(=O)Cc1ccccc1
Cc1cc(C)n(CC(=O)N2CCC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)N2CCC[C@H](CC2)N(C)S(=O)(=O)C[*:1])n1
Cc1cc(C)n(CC(=O)N2CCC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)CC2)n1 Cc1cc(C)n(n1)[*:1] CN([C@@H]1CCCN(CC1)C(=O)C[*:1])S(=O)(=O)Cc1ccccc1
Cc1cc(C)n(CC(=O)N2CCC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] Cc1cc(C)n(CC(=O)N2CCC[C@H](CC2)N(C)S(=O)(=O)[*:1])n1
CCCc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)s1 CCC[*:1] Cc1[nH]nc2OC(N)=C(C#N)[C@H](c3ccc(s3)[*:1])c21
C=CCc1c(C)nc(-c2ccccc2)nc1N/N=C\c1ccco1 C=CC[*:1] Cc1nc(nc(N/N=C\c2ccco2)c1[*:1])-c1ccccc1
C=CCc1c(C)nc(-c2ccccc2)nc1N/N=C\c1ccco1 C(=N\N[*:1])\c1ccco1 C=CCc1c(C)nc(nc1[*:1])-c1ccccc1
C=CCc1c(C)nc(-c2ccccc2)nc1N/N=C\c1ccco1 c1ccc(cc1)[*:1] C=CCc1c(C)nc(nc1N/N=C\c1ccco1)[*:1]
C=CCc1c(C)nc(-c2ccccc2)nc1N/N=C\c1ccco1 c1coc(c1)[*:1] C=CCc1c(C)nc(nc1NN=C[*:1])-c1ccccc1
COc1ccc(CCNC(=O)C2CCN(c3nc4ccc(F)cc4s3)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(NCC[*:1])C1CCN(CC1)c1nc2ccc(F)cc2s1
COc1ccc(CCNC(=O)C2CCN(c3nc4ccc(F)cc4s3)CC2)cc1OC Fc1ccc2nc(sc2c1)[*:1] COc1ccc(cc1OC)CCNC(=O)C1CCN(CC1)[*:1]
O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Br)cc1 FC(F)(F)[*:1] O=C(COC(=O)C1CCN(CC1)c1ccc(cn1)[*:1])c1ccc(Br)cc1
O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Br)cc1 O=C(c1ccc(Br)cc1)[*:1] O=C(OC[*:1])C1CCN(CC1)c1ccc(cn1)C(F)(F)F
O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])C1CCN(CC1)c1ccc(cn1)C(F)(F)F
O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@H](c2nnc3ccccn23)C1 O=S(=O)(N1CCCC1)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@@H](C1)c1nnc2ccccn12
O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@H](c2nnc3ccccn23)C1 c1ccn2c(nnc2c1)[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCCC1)N1CCC[C@H](C1)[*:1]
COc1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ncccc2c1 Clc1ccc(O[*:1])c(Cl)c1 COc1cc(NC(=O)CCC[*:1])c2ncccc2c1
COc1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c2ncccc2c1 Clc1ccc(c(Cl)c1)[*:1] COc1cc(NC(=O)CCCO[*:1])c2ncccc2c1
O=C(c1ccoc1)N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccoc1)N1CCC(CC1)C(=O)N(c1ccccc1)[*:1]
O=C(c1ccoc1)N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccoc1)N1CCC(CC1)C(=O)N(C[*:1])c1ccccc1
O=C(c1ccoc1)N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccoc1)N1CCC(CC1)C(=O)N(Cc1ccccc1)[*:1]
O=C(c1ccoc1)N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1 c1cc(co1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N(Cc1ccccc1)c1ccccc1
CC(C)(C)OC(=O)n1nc(C[NH+]2CCCCC2)c2ccc(N)cc21 CC(C)(C)[*:1] Nc1ccc2c(C[NH+]3CCCCC3)nn(C(=O)O[*:1])c2c1
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[*:1]
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)NCc1ccccc1 N#Cc1ccccc1[*:1] C[C@H](NC(=O)c1ccccc1S[*:1])C(=O)NCc1ccccc1
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)NCc1ccccc1 N#Cc1ccccc1S[*:1] C[C@H](NC(=O)c1ccccc1[*:1])C(=O)NCc1ccccc1
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)NC[*:1]
C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)N[*:1]
Cc1nc(C(C)C)sc1[C@@H](C)NCCc1nncn1C1CC1 CC(C)[*:1] Cc1nc(sc1[C@@H](C)NCCc1nncn1C1CC1)[*:1]
Cc1nc(C(C)C)sc1[C@@H](C)NCCc1nncn1C1CC1 C1CC1[*:1] Cc1nc(sc1[C@@H](C)NCCc1nncn1[*:1])C(C)C
CCN(CC(C)C)C(=O)[C@H]1CCO[C@@H]1C CC(C)[*:1] CCN(C[*:1])C(=O)[C@H]1CCO[C@@H]1C
CCN(CC(C)C)C(=O)[C@H]1CCO[C@@H]1C CC(C)C[*:1] CCN(C(=O)[C@H]1CCO[C@@H]1C)[*:1]
CC[C@H](C(=O)Nc1ncc(-c2ccccc2)s1)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@H](C(=O)Nc1ncc(s1)-c1ccccc1)[*:1]
CC[C@H](C(=O)Nc1ncc(-c2ccccc2)s1)c1c(C)noc1C c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1ncc(s1)[*:1])c1c(C)noc1C
N[C@H](CO)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] N[C@H](CO)[*:1] O=[N+]([O-])c1cccc(c1[*:1])[N+](=O)[O-]
N[C@H](CO)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] N[C@H](CO)c1c(cccc1[*:1])[N+](=O)[O-]
N#Cc1ccc([C@@H](C(N)=O)N2CCC(CN3CCCCC3=O)CC2)cc1 NC(=O)[*:1] N#Cc1ccc(cc1)[C@@H](N1CCC(CC1)CN1CCCCC1=O)[*:1]
N#Cc1ccc([C@@H](C(N)=O)N2CCC(CN3CCCCC3=O)CC2)cc1 O=C1CCCCN1C[*:1] N#Cc1ccc(cc1)[C@@H](C(N)=O)N1CCC(CC1)[*:1]
N#Cc1ccc([C@@H](C(N)=O)N2CCC(CN3CCCCC3=O)CC2)cc1 O=C1CCCCN1[*:1] N#Cc1ccc(cc1)[C@@H](C(N)=O)N1CCC(CC1)C[*:1]
N#Cc1ccc([C@@H](C(N)=O)N2CCC(CN3CCCCC3=O)CC2)cc1 N#Cc1ccc(cc1)[*:1] NC(=O)[C@@H](N1CCC(CC1)CN1CCCCC1=O)[*:1]
COC(=O)Cn1c(=O)c2c(nc3n(C)c(C)cn23)n(C)c1=O COC(=O)C[*:1] Cc1cn2c3c(=O)n(c(=O)n(C)c3nc2n1C)[*:1]
COC(=O)Cn1c(=O)c2c(nc3n(C)c(C)cn23)n(C)c1=O COC(=O)[*:1] Cc1cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1C
O=C(NCc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1nnc(s1)[*:1]
O=C(NCc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)Nc1nnc(C(F)(F)F)s1 FC(F)(F)c1nnc(s1)[*:1] O=C(NCc1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N1C[C@H](C)O[C@H](C)C1 CC(C)CNC(=O)[*:1] Cc1cc(ccc1NC(=O)N1C[C@H](C)O[C@H](C)C1)[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N1C[C@H](C)O[C@H](C)C1 CC(C)[*:1] Cc1cc(ccc1NC(=O)N1C[C@H](C)O[C@H](C)C1)C(=O)NC[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N1C[C@H](C)O[C@H](C)C1 CC(C)C[*:1] Cc1cc(ccc1NC(=O)N1C[C@H](C)O[C@H](C)C1)C(=O)N[*:1]
O=C(Nc1cc(F)c(F)cc1Cl)C1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cc(F)c(F)cc1Cl)C1(CC1)[*:1]
CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 c1ccn(c1)[*:1] CCCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 CCC[*:1] O=C(c1ccc(cc1)-n1cccc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 CCCc1ccc(cc1)[*:1] O=C(c1ccc(cc1)-n1cccc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CCC(=O)N1CCO[C@@H](c2ccccc2)C1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(CC[*:1])N1CCO[C@H](C1)c1ccccc1
O=C(CCC(=O)N1CCO[C@@H](c2ccccc2)C1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCO[C@@H](C1)[*:1])N1CCOCC1
O=C([O-])COc1ccccc1/C=C1\N=C(c2ccccc2OC(F)F)OC1=O O=C([O-])C[*:1] O=C1OC(=N/C1=C\c1ccccc1O[*:1])c1ccccc1OC(F)F
O=C([O-])COc1ccccc1/C=C1\N=C(c2ccccc2OC(F)F)OC1=O O=C([O-])CO[*:1] O=C1OC(=N/C1=C\c1ccccc1[*:1])c1ccccc1OC(F)F
O=C([O-])COc1ccccc1/C=C1\N=C(c2ccccc2OC(F)F)OC1=O FC(F)O[*:1] O=C([O-])COc1ccccc1/C=C1\N=C(OC1=O)c1ccccc1[*:1]
O=C([O-])COc1ccccc1/C=C1\N=C(c2ccccc2OC(F)F)OC1=O FC(F)[*:1] O=C([O-])COc1ccccc1/C=C1\N=C(OC1=O)c1ccccc1O[*:1]
O=C([O-])COc1ccccc1/C=C1\N=C(c2ccccc2OC(F)F)OC1=O O=C([O-])[*:1] O=C1OC(=N/C1=C\c1ccccc1OC[*:1])c1ccccc1OC(F)F
O=C(NCC1CCCCC1)c1cccc(NC(=O)c2cnc3snnc3c2)c1 C1CCC(CC1)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)c1cnc2snnc2c1
O=C(NCC1CCCCC1)c1cccc(NC(=O)c2cnc3snnc3c2)c1 C1CCC(CC1)C[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])c1cnc2snnc2c1
Cc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)n2)cc1C Cc1ccc(cc1C)[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1nc(cs1)[*:1]
COc1ccc2oc(C[NH+]3CCN(C4CC4)C(=O)C3)cc2c1 C1CC1[*:1] COc1ccc2oc(cc2c1)C[NH+]1CCN(C(=O)C1)[*:1]
CC(C)C[C@@H](CNC(=O)c1cccnc1)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@H](CNC(=O)c1cccnc1)C[*:1]
CC(C)C[C@@H](CNC(=O)c1cccnc1)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@H](CNC(=O)c1cccnc1)[*:1]
CC(C)C[C@@H](CNC(=O)c1cccnc1)[NH+](C)C c1cncc(c1)[*:1] CC(C)C[C@@H](CNC(=O)[*:1])[NH+](C)C
CCn1cc(Br)c(C(=O)[O-])n1 O=C([O-])[*:1] CCn1cc(Br)c(n1)[*:1]
Cc1cccc(-n2nnnc2SCC(=O)N(C)[C@@H]2CCCc3ccccc32)c1 Cc1cccc(c1)[*:1] CN(C(=O)CSc1nnnn1[*:1])[C@@H]1CCCc2ccccc21
CC(C)c1ccc(C[C@@H](C)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 CC(C)[*:1] C[C@H](Cc1ccc(cc1)[*:1])N[C@H](C)c1ccc(cc1)S(N)(=O)=O
CC(C)c1ccc(C[C@@H](C)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 NS(=O)(=O)[*:1] CC(C)c1ccc(cc1)C[C@@H](C)N[C@H](C)c1ccc(cc1)[*:1]
C#CCN1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 C#CC[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(CC1)[*:1]
C#CCN1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 Cc1ccccc1[*:1] C#CCN1CCN(CC1)[C@H](C)C(=O)N[C@@H](C)[*:1]
OCCC#Cc1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cc1 OCC[*:1] C(#C[*:1])c1ccc(cc1)CN1CCN(CC1)c1nc2ccccc2o1
OCCC#Cc1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cc1 OCCC#C[*:1] c1ccc2oc(nc2c1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
OCCC#Cc1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cc1 c1ccc2oc(nc2c1)[*:1] OCCC#Cc1ccc(cc1)CN1CCN(CC1)[*:1]
CCOC(=O)c1cnn(-c2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)c1N CCOC(=O)[*:1] Cc1nn2c(cc(nc2c1-c1ccccc1)C(C)(C)C)-n1ncc(c1N)[*:1]
CCOC(=O)c1cnn(-c2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)c1N c1ccc(cc1)[*:1] CCOC(=O)c1cnn(c1N)-c1cc(nc2c(c(C)nn12)[*:1])C(C)(C)C
CCOC(=O)c1cnn(-c2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)c1N CC(C)(C)[*:1] CCOC(=O)c1cnn(c1N)-c1cc(nc2c(-c3ccccc3)c(C)nn12)[*:1]
COc1cccc(CN2CC3(CCN(C(=O)Cn4cc(C)cn4)CC3)CC2=O)c1 COc1cccc(c1)[*:1] Cc1cnn(c1)CC(=O)N1CCC2(CC1)CC(=O)N(C2)C[*:1]
COc1cccc(CN2CC3(CCN(C(=O)Cn4cc(C)cn4)CC3)CC2=O)c1 Cc1cnn(c1)C[*:1] COc1cccc(c1)CN1CC2(CCN(CC2)C(=O)[*:1])CC1=O
COc1cccc(CN2CC3(CCN(C(=O)Cn4cc(C)cn4)CC3)CC2=O)c1 COc1cccc(c1)C[*:1] Cc1cnn(c1)CC(=O)N1CCC2(CC1)CC(=O)N(C2)[*:1]
COc1cccc(CN2CC3(CCN(C(=O)Cn4cc(C)cn4)CC3)CC2=O)c1 Cc1cnn(c1)[*:1] COc1cccc(c1)CN1CC2(CCN(CC2)C(=O)C[*:1])CC1=O
Cc1ccc2c(c1)CCCN2C(=O)CCn1ccccc1=O O=c1ccccn1[*:1] Cc1ccc2c(c1)CCCN2C(=O)CC[*:1]
CCS[C@H]1CCCCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C1 CCS[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCCC[C@@H](C1)[*:1]
CCS[C@H]1CCCCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C1 CC(C)(C)[*:1] CCS[C@H]1CCCCN(C1)C(=O)[C@H](C)NC(=O)[*:1]
CCS[C@H]1CCCCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C1 CC(C)(C)C(=O)N[*:1] CCS[C@H]1CCCCN(C1)C(=O)[C@H](C)[*:1]
COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1[*:1]
COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C)cc1 COC(=O)[*:1] CC1N=C2S[C@H](C)C(=O)N2[C@H](C=1[*:1])c1ccc(C)cc1
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1n[nH]c(n1)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1n[nH]c(C2CC2)n1 CC(C)[*:1] C[NH+](C)C[C@H](C[*:1])NC(=O)c1n[nH]c(n1)C1CC1
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1n[nH]c(C2CC2)n1 CC(C)C[*:1] C[NH+](C)C[C@@H](NC(=O)c1n[nH]c(n1)C1CC1)[*:1]
CCC[NH2+][C@@H](CCC1CC1)c1cscc1C CCC[*:1] Cc1cscc1[C@H](CCC1CC1)[NH2+][*:1]
CCC[NH2+][C@@H](CCC1CC1)c1cscc1C C1CC1C[*:1] CCC[NH2+][C@@H](C[*:1])c1cscc1C
CCC[NH2+][C@@H](CCC1CC1)c1cscc1C C1CC1CC[*:1] CCC[NH2+][C@@H](c1cscc1C)[*:1]
CCC[NH2+][C@@H](CCC1CC1)c1cscc1C C1CC1[*:1] CCC[NH2+][C@@H](CC[*:1])c1cscc1C
Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 Cc1noc(C)c1CC[*:1] O=C(N1CCC[C@H](C1)c1cc2nc(ccc2[nH]1)C(F)(F)F)[*:1]
Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 Cc1noc(C)c1C[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1cc2nc(ccc2[nH]1)C(F)(F)F
Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 FC(F)(F)[*:1] Cc1noc(C)c1CCC(=O)N1CCC[C@H](C1)c1cc2nc(ccc2[nH]1)[*:1]
Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 Cc1noc(C)c1[*:1] O=C(CC[*:1])N1CCC[C@H](C1)c1cc2nc(ccc2[nH]1)C(F)(F)F
COC(=O)c1ccc(CCC(=O)N(CC#N)CC#N)cc1 COC(=O)[*:1] N#CCN(CC#N)C(=O)CCc1ccc(cc1)[*:1]
COC(=O)c1ccc(CCC(=O)N(CC#N)CC#N)cc1 N#CC[*:1] COC(=O)c1ccc(cc1)CCC(=O)N(CC#N)[*:1]
C[NH+]1CCC(NC(=O)NCCNC(=O)C2CC2)CC1 O=C(N[*:1])C1CC1 C[NH+]1CCC(CC1)NC(=O)NCC[*:1]
C[NH+]1CCC(NC(=O)NCCNC(=O)C2CC2)CC1 C1CC1[*:1] C[NH+]1CCC(CC1)NC(=O)NCCNC(=O)[*:1]
C[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(NCc1ccc(cc1)CN1CCOCC1)N[*:1]
C[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 C1CN(CCO1)[*:1] C[C@H](NC(=O)NCc1ccc(cc1)C[*:1])c1ccccc1
C[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCc1ccc(cc1)CN1CCOCC1)[*:1]
C[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 C1CN(CCO1)C[*:1] C[C@H](NC(=O)NCc1ccc(cc1)[*:1])c1ccccc1
CC[C@H](C)OC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 Fc1ccc(cc1)[*:1] CC[C@H](C)OC(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
CC[C@H](C)OC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 Fc1ccc(cc1)C[*:1] CC[C@H](C)OC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
C#CCNCC(=O)N(C)CCCC(=O)[O-] C#CC[*:1] CN(CCCC(=O)[O-])C(=O)CN[*:1]
C#CCNCC(=O)N(C)CCCC(=O)[O-] C#CCN[*:1] CN(CCCC(=O)[O-])C(=O)C[*:1]
C#CCNCC(=O)N(C)CCCC(=O)[O-] O=C([O-])[*:1] C#CCNCC(=O)N(C)CCC[*:1]
C#CCNCC(=O)N(C)CCCC(=O)[O-] C#CCNC[*:1] CN(CCCC(=O)[O-])C(=O)[*:1]
C#CCNCC(=O)N(C)CCCC(=O)[O-] O=C([O-])C[*:1] C#CCNCC(=O)N(C)CC[*:1]
C#CCNCC(=O)N(C)CCCC(=O)[O-] O=C([O-])CC[*:1] C#CCNCC(=O)N(C)C[*:1]
CCOc1ccccc1NC(=O)[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)[C@@H]([NH2+][C@H]1CCCc2ccccc21)[*:1]
CCOc1ccccc1NC(=O)[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 CCOc1ccccc1[*:1] O=C(N[*:1])[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1
CCOc1ccccc1NC(=O)[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 CCO[*:1] O=C(Nc1ccccc1[*:1])[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1
O=[N+]([O-])c1ccccc1NC[C@H](O)c1ccccc1F O=[N+]([O-])[*:1] O[C@@H](CNc1ccccc1[*:1])c1ccccc1F
CC(C)c1csc(CNC(=O)c2ncccc2C(F)(F)F)n1 FC(F)(F)[*:1] CC(C)c1csc(CNC(=O)c2ncccc2[*:1])n1
CC(C)c1csc(CNC(=O)c2ncccc2C(F)(F)F)n1 CC(C)[*:1] O=C(NCc1nc(cs1)[*:1])c1ncccc1C(F)(F)F
COc1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)O[*:1]
Cc1cc(C)c(NC(=O)CCC[S@](=O)Cc2ncc(C)o2)c(C)c1 Cc1cnc(C[*:1])o1 Cc1cc(C)c(NC(=O)CCC[S@](=O)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CCC[S@](=O)Cc2ncc(C)o2)c(C)c1 Cc1cnc(o1)[*:1] Cc1cc(C)c(NC(=O)CCC[S@](=O)C[*:1])c(C)c1
CN(CCCC(=O)[O-])c1cccc(F)c1C(N)=O O=C([O-])[*:1] CN(CCC[*:1])c1cccc(F)c1C(N)=O
CN(CCCC(=O)[O-])c1cccc(F)c1C(N)=O O=C([O-])C[*:1] CN(CC[*:1])c1cccc(F)c1C(N)=O
CN(CCCC(=O)[O-])c1cccc(F)c1C(N)=O O=C([O-])CCC[*:1] CN(c1cccc(F)c1C(N)=O)[*:1]
CN(CCCC(=O)[O-])c1cccc(F)c1C(N)=O NC(=O)[*:1] CN(CCCC(=O)[O-])c1cccc(F)c1[*:1]
CN(CCCC(=O)[O-])c1cccc(F)c1C(N)=O O=C([O-])CC[*:1] CN(C[*:1])c1cccc(F)c1C(N)=O
CC[C@@H](C(=O)NCc1cc(C)c(F)c(C)c1)C(N)=S NC(=S)[*:1] CC[C@@H](C(=O)NCc1cc(C)c(F)c(C)c1)[*:1]
CC[C@@H](C(=O)NCc1cc(C)c(F)c(C)c1)C(N)=S CC[C@@H](C(N)=S)[*:1] Cc1cc(cc(C)c1F)CNC(=O)[*:1]
N#Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)o1 N#Cc1ccccc1[*:1] Clc1ccc(cc1)OCc1nnc(o1)SC[*:1]
N#Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)o1 Clc1ccc(cc1)O[*:1] N#Cc1ccccc1CSc1nnc(C[*:1])o1
N#Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] N#Cc1ccccc1CSc1nnc(CO[*:1])o1
Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2cccc(C#N)c2)cc1 Cc1ccccc1[*:1] N#Cc1cccc(c1)COc1ccc(/C=N/NC(=O)[*:1])cc1
Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2cccc(C#N)c2)cc1 N#Cc1cccc(c1)[*:1] Cc1ccccc1C(=O)N/N=C/c1ccc(cc1)OC[*:1]
Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2cccc(C#N)c2)cc1 N#Cc1cccc(c1)C[*:1] Cc1ccccc1C(=O)N/N=C/c1ccc(cc1)O[*:1]
CC(C)c1ccc(NC(=O)C(=O)N2C[C@@H]3CC=CC[C@H]3C2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1C[C@@H]2CC=CC[C@H]2C1
Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2)cc1 Clc1ccc(cc1Cl)[*:1] Cc1ccc(cc1)-c1ccc(=O)n(n1)[C@@H](C)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1)n1nc(ccc1=O)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](O)C(C)C CC(C)[C@@H](O)[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](O)C(C)C O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[C@H](O)C(C)C)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](O)C(C)C CC(C)[C@@H](O)C[*:1] Cc1cc(C)c(c(C)c1C(=O)N[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](O)C(C)C CC(C)[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[C@H](O)[*:1])[N+](=O)[O-]
COc1cccc([C@H](CO)NC(=O)c2ccc(-n3cccc3)cc2)c1 COc1cccc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1ccc(cc1)-n1cccc1
COc1cccc([C@H](CO)NC(=O)c2ccc(-n3cccc3)cc2)c1 c1ccn(c1)[*:1] COc1cccc(c1)[C@H](CO)NC(=O)c1ccc(cc1)[*:1]
O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(COc1ccccc1-c1nnc(o1)-c1ccccc1)N[*:1]
O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccccc1-c1nnc(o1)-c1ccccc1)NC[*:1]
O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccccc1-c1nnc(o1)[*:1])NCc1ccccc1
O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3)o2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nnc(o1)SC[*:1]
O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3)o2)cc1 O=[N+]([O-])[*:1] c1ccc(cc1)CSc1nnc(o1)-c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3)o2)cc1 c1ccc(cc1)C[*:1] O=[N+]([O-])c1ccc(cc1)-c1nnc(o1)S[*:1]
C[C@H]([NH2+]Cc1ccnc(O[C@H]2CCOC2)c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H]([NH2+]Cc1ccnc(c1)O[C@H]1CCOC1)[*:1]
C[C@H]([NH2+]Cc1ccnc(O[C@H]2CCOC2)c1)c1cccc(Cl)c1 C1C[C@@H](CO1)O[*:1] C[C@H]([NH2+]Cc1ccnc(c1)[*:1])c1cccc(Cl)c1
C[C@H]([NH2+]Cc1ccnc(O[C@H]2CCOC2)c1)c1cccc(Cl)c1 C1C[C@@H](CO1)[*:1] C[C@H]([NH2+]Cc1ccnc(c1)O[*:1])c1cccc(Cl)c1
Cc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)s1 Cc1ccc(s1)[*:1] C[C@@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)[*:1]
COC(=O)C1=C(C)C(C(=O)[C@@H](C)Sc2nnnn2C(C)(C)C)=N[C@@H]1C COC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)[C@@H](C)Sc1nnnn1C(C)(C)C
COC(=O)C1=C(C)C(C(=O)[C@@H](C)Sc2nnnn2C(C)(C)C)=N[C@@H]1C CC(C)(C)[*:1] COC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)[C@@H](C)Sc1nnnn1[*:1]
CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2c(F)cccc2F)NC(=S)N1 Cc1cccc(c1C)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1c(F)cccc1F
CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2c(F)cccc2F)NC(=S)N1 Fc1cccc(F)c1[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1cccc(C)c1C)[*:1]
CCc1nc(C[NH+](C)Cc2nn(C)c3cccc(Cl)c23)no1 CCc1nc(no1)[*:1] Cn1nc(C[NH+](C)C[*:1])c2c(Cl)cccc21
COc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1OC C1CC1c1nc(no1)[*:1] COc1ccc(cc1OC)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1OC C1CC1[*:1] COc1ccc(cc1OC)C(=O)Nc1cccc(c1)-c1noc(n1)[*:1]
COc1cc(C[NH+]2CCC(c3cccs3)CC2)cc(OC)c1 c1csc(c1)[*:1] COc1cc(cc(c1)OC)C[NH+]1CCC(CC1)[*:1]
CS[C@H](C)CNS(=O)(=O)c1ccc(OC(C)C)cc1 CC(C)O[*:1] CS[C@H](C)CNS(=O)(=O)c1ccc(cc1)[*:1]
CS[C@H](C)CNS(=O)(=O)c1ccc(OC(C)C)cc1 CC(C)[*:1] CS[C@H](C)CNS(=O)(=O)c1ccc(cc1)O[*:1]
COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](Cc4cccc(F)c4)CC3)ccc2o1 Fc1cccc(c1)C[*:1] COc1ccccc1NC(=O)c1cc2cc(ccc2o1)C1(O)CC[NH+](CC1)[*:1]
COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](Cc4cccc(F)c4)CC3)ccc2o1 Fc1cccc(c1)[*:1] COc1ccccc1NC(=O)c1cc2cc(ccc2o1)C1(O)CC[NH+](CC1)C[*:1]
COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](Cc4cccc(F)c4)CC3)ccc2o1 COc1ccccc1[*:1] O=C(N[*:1])c1cc2cc(ccc2o1)C1(O)CC[NH+](CC1)Cc1cccc(F)c1
COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](Cc4cccc(F)c4)CC3)ccc2o1 COc1ccccc1NC(=O)[*:1] OC1(CC[NH+](CC1)Cc1cccc(F)c1)c1ccc2oc(cc2c1)[*:1]
CCOc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 CCOc1ccccc1[*:1] O=C(CN(S(=O)(=O)c1ccc(Cl)cc1)[*:1])N1CCCCC1
CCOc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)[*:1]
CCOc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 O=C(C[*:1])N1CCCCC1 CCOc1ccccc1N(S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CCOc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 CCO[*:1] O=C(CN(c1ccccc1[*:1])S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1
CCOc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 O=C(N1CCCCC1)[*:1] CCOc1ccccc1N(C[*:1])S(=O)(=O)c1ccc(Cl)cc1
COCCN1C[C@@H](C(=O)N(C)Cc2ccc(F)cc2)CC1=O COC[*:1] CN(Cc1ccc(F)cc1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@@H](C(=O)N(C)Cc2ccc(F)cc2)CC1=O COCC[*:1] CN(Cc1ccc(F)cc1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
COCCN1C[C@@H](C(=O)N(C)Cc2ccc(F)cc2)CC1=O Fc1ccc(cc1)[*:1] COCCN1C[C@H](CC1=O)C(=O)N(C)C[*:1]
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H](C)[NH+](C)C c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)[NH+](C)C)C(=O)N[*:1]
O=C(O[C@@H]1CCCCC1=O)c1cc(-c2ccco2)nc2ccccc12 c1coc(c1)[*:1] O=C(O[C@@H]1CCCCC1=O)c1cc(nc2ccccc12)[*:1]
C[C@H]1C[C@H]1NC(=O)Nc1ccc(OCC(N)=O)cc1 NC(=O)C[*:1] C[C@H]1C[C@H]1NC(=O)Nc1ccc(cc1)O[*:1]
C[C@H]1C[C@H]1NC(=O)Nc1ccc(OCC(N)=O)cc1 NC(=O)[*:1] C[C@H]1C[C@H]1NC(=O)Nc1ccc(cc1)OC[*:1]
C[C@H]1C[C@H]1NC(=O)Nc1ccc(OCC(N)=O)cc1 NC(=O)CO[*:1] C[C@H]1C[C@H]1NC(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 Clc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N[C@@H]1CCN(C1=O)[*:1]
CC(=O)c1ccc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 CC(=O)[*:1] O=C1[C@@H](CCN1c1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
CN(Cc1cnccn1)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 c1cnc(cn1)[*:1] CN(C[*:1])C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1
CN(Cc1cnccn1)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(Cc1cnccn1)C(=O)N[C@@H](c1ccccc1)[*:1]
CN(Cc1cnccn1)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] CN(Cc1cnccn1)C(=O)N[C@@H](c1cccc(F)c1)[*:1]
CN(Cc1cnccn1)C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 c1cnc(cn1)C[*:1] CN(C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1)[*:1]
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)C(CC)CC O=C([O-])[*:1] CCc1ccc(cc1S(=O)(=O)C(CC)CC)[*:1]
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)C(CC)CC CCC(CC)[*:1] CCc1ccc(cc1S(=O)(=O)[*:1])C(=O)[O-]
C[C@@](O)(C/[NH+]=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@](O)(C/[NH+]=C/c1cc(Cl)cc(Cl)c1O)[*:1]
CN1C(=O)c2ccc(NC(=O)CSc3ccccc3Br)cc2C1=O Brc1ccccc1[*:1] CN1C(=O)c2ccc(cc2C1=O)NC(=O)CS[*:1]
CN1C(=O)c2ccc(NC(=O)CSc3ccccc3Br)cc2C1=O Brc1ccccc1S[*:1] CN1C(=O)c2ccc(cc2C1=O)NC(=O)C[*:1]
COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 COC[C@H](C)NC(=O)[*:1] Cc1cccc(c1)NS(=O)(=O)c1cccc(c1)[*:1]
COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] COC[C@H](C)NC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 COC[*:1] Cc1cccc(c1)NS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](C)[*:1]
CC(C)c1nn(C)c2sc(C(=O)NCC(C)(C)C[NH+](C)C)cc12 CC(C)[*:1] Cn1nc(c2cc(sc21)C(=O)NCC(C)(C)C[NH+](C)C)[*:1]
CC[C@@H](CCO)CNS(=O)(=O)c1ccc(Cl)nc1 OCC[*:1] CC[C@@H](CNS(=O)(=O)c1ccc(Cl)nc1)[*:1]
CC[C@@H](CCO)CNS(=O)(=O)c1ccc(Cl)nc1 CC[C@@H](CCO)[*:1] O=S(=O)(NC[*:1])c1ccc(Cl)nc1
Cc1n[nH]c(CN2CCN(c3cc(=O)[nH]c(N)n3)CC2)c1Cl Cc1n[nH]c(c1Cl)[*:1] Nc1nc(cc(=O)[nH]1)N1CCN(CC1)C[*:1]
Cc1nc(N2CC[C@H](C(N)=O)C2)c2c(-c3cccs3)csc2n1 c1csc(c1)[*:1] Cc1nc(c2c(csc2n1)[*:1])N1CC[C@@H](C1)C(N)=O
Cc1nc(N2CC[C@H](C(N)=O)C2)c2c(-c3cccs3)csc2n1 NC(=O)[*:1] Cc1nc(c2c(csc2n1)-c1cccs1)N1CC[C@H](C1)[*:1]
Cc1nn(C)c(NC[C@]2(N3CCOCC3)CCSC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)c(NC[C@@]2(CCSC2)N2CCOCC2)c1[*:1]
Cc1nn(C)c(NC[C@]2(N3CCOCC3)CCSC2)c1[N+](=O)[O-] C1CN(CCO1)[*:1] Cc1nn(C)c(NC[C@@]2(CCSC2)[*:1])c1[N+](=O)[O-]
COc1ccc(Cl)cc1-n1nnc(C(=O)NCc2ccccc2Cl)c1C Clc1ccccc1[*:1] COc1ccc(Cl)cc1-n1nnc(C(=O)NC[*:1])c1C
COc1ccc(Cl)cc1-n1nnc(C(=O)NCc2ccccc2Cl)c1C Clc1ccccc1C[*:1] COc1ccc(Cl)cc1-n1nnc(C(=O)N[*:1])c1C
CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 CNC(=O)[*:1] O=C(CNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)N1CCC[C@@H]1[*:1]
CCc1ccccc1CN/C(NCc1nc(C)no1)=[NH+]\C Cc1noc(n1)[*:1] CCc1ccccc1CN/C(NC[*:1])=[NH+]\C
CCc1ccccc1CN/C(NCc1nc(C)no1)=[NH+]\C Cc1noc(C[*:1])n1 CCc1ccccc1CN/C(N[*:1])=[NH+]\C
O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc(cc1)[*:1]
CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccc(C(C)C)cc1)C2 CC(C)c1ccc(cc1)[*:1] CC(=O)N1CCCC[C@H]1c1ncc2CN(CCc2n1)C[*:1]
CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccc(C(C)C)cc1)C2 CC(C)[*:1] CC(=O)N1CCCC[C@H]1c1ncc2CN(CCc2n1)Cc1ccc(cc1)[*:1]
CCOc1ccccc1-c1csc(NC(=O)[C@H]2CN(C)CCO2)n1 CCO[*:1] CN1CCO[C@H](C1)C(=O)Nc1nc(cs1)-c1ccccc1[*:1]
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 c1csc(c1)[*:1] COc1cc2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H](c2cc1OC)[*:1]
Cc1ccc(N2C[C@@H](C)N(C(=O)CSc3nc(C)n[nH]3)CC2=O)cc1 Cc1n[nH]c(n1)S[*:1] Cc1ccc(cc1)N1C[C@@H](C)N(CC1=O)C(=O)C[*:1]
Cc1ccc(N2C[C@@H](C)N(C(=O)CSc3nc(C)n[nH]3)CC2=O)cc1 Cc1n[nH]c(n1)[*:1] Cc1ccc(cc1)N1C[C@@H](C)N(CC1=O)C(=O)CS[*:1]
Cc1ccc(N2C[C@@H](C)N(C(=O)CSc3nc(C)n[nH]3)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1n[nH]c(n1)SCC(=O)N1CC(=O)N(C[C@H]1C)[*:1]
CSc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CSc1ccc(cc1)CN1C(=O)CN(C[C@]1(C)C(=O)NC[*:1])S(C)(=O)=O
CSc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] CSc1ccc(cc1)CN1C(=O)CN(C[C@]1(C)C(=O)N[*:1])S(C)(=O)=O
CSc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 CSc1ccc(cc1)[*:1] C[C@@]1(CN(CC(=O)N1C[*:1])S(C)(=O)=O)C(=O)NCc1ccc(Cl)cc1
CSc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 CSc1ccc(cc1)C[*:1] C[C@@]1(CN(CC(=O)N1[*:1])S(C)(=O)=O)C(=O)NCc1ccc(Cl)cc1
CCN(CC)S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 CCN(CC)S(=O)(=O)[*:1] O=C1c2ccccc2C(=O)N1c1ccc(cc1)[*:1]
CN(C)c1ccccc1NC(=O)NC[C@@H](O)c1c(F)cccc1F Fc1cccc(F)c1[*:1] CN(C)c1ccccc1NC(=O)NC[C@@H](O)[*:1]
CN(C)c1ccccc1NC(=O)NC[C@@H](O)c1c(F)cccc1F CN(C)[*:1] O=C(NC[C@@H](O)c1c(F)cccc1F)Nc1ccccc1[*:1]
Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N/N=C/c1ccc(Cl)cc1
Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NCC(=O)NN=C[*:1]
O=C(NNC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccnc1 c1cncc(c1)[*:1] O=C(NNC(=O)[*:1])C1CCN(CC1)C(=O)c1cccs1
O=C(NNC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccnc1 c1csc(c1)[*:1] O=C(NNC(=O)C1CCN(CC1)C(=O)[*:1])c1cccnc1
CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Br)nc2)C1 CC(=O)N[*:1] O=C(c1ccc(Br)nc1)N1CCC[C@H](C1)[*:1]
CCCNC(=O)c1cccc(CNC(=O)c2ccc(-n3ccnc3)cc2)c1 CCC[*:1] O=C(NCc1cccc(c1)C(=O)N[*:1])c1ccc(cc1)-n1ccnc1
CCCNC(=O)c1cccc(CNC(=O)c2ccc(-n3ccnc3)cc2)c1 CCCNC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])c1ccc(cc1)-n1ccnc1
CCCNC(=O)c1cccc(CNC(=O)c2ccc(-n3ccnc3)cc2)c1 c1cn(cn1)[*:1] CCCNC(=O)c1cccc(c1)CNC(=O)c1ccc(cc1)[*:1]
CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CN(C)C(=O)CN(C)c1ccc(cn1)[*:1]
CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])cn1 CN(C)C(=O)[*:1] CN(C[*:1])c1ccc(cn1)[N+](=O)[O-]
CC1(C)CCN(c2[nH+]cccc2C(=O)[O-])C1 O=C([O-])[*:1] CC1(C)CCN(C1)c1[nH+]cccc1[*:1]
C[C@@H](CCc1ccccc1)NC(=O)N(C)CCc1ccccn1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)N(C)CCc1ccccn1
C[C@@H](CCc1ccccc1)NC(=O)N(C)CCc1ccccn1 c1ccc(C[*:1])nc1 C[C@@H](CCc1ccccc1)NC(=O)N(C)C[*:1]
C[C@@H](CCc1ccccc1)NC(=O)N(C)CCc1ccccn1 c1ccc(nc1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)N(C)CC[*:1]
C[C@@H](CCc1ccccc1)NC(=O)N(C)CCc1ccccn1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)N(C)CCc1ccccn1
COc1ccc(C2(NC(=O)Cn3c(CSC)nc4ccccc43)CCCC2)cc1 CSC[*:1] COc1ccc(cc1)C1(CCCC1)NC(=O)Cn1c(nc2ccccc21)[*:1]
COc1ccc(C2(NC(=O)Cn3c(CSC)nc4ccccc43)CCCC2)cc1 COc1ccc(cc1)[*:1] CSCc1nc2ccccc2n1CC(=O)NC1(CCCC1)[*:1]
C[C@@H]1CN(C(=O)c2ccnc(OC(C)(C)C)c2)C[C@H](c2ccc(F)cc2)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)[*:1])C(=O)c1ccnc(c1)OC(C)(C)C
C[C@@H]1CN(C(=O)c2ccnc(OC(C)(C)C)c2)C[C@H](c2ccc(F)cc2)O1 CC(C)(C)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)c1ccnc(c1)O[*:1]
C[C@@H]1CN(C(=O)c2ccnc(OC(C)(C)C)c2)C[C@H](c2ccc(F)cc2)O1 CC(C)(C)O[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)c1ccnc(c1)[*:1]
CCc1onc(C)c1NC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCc1onc(C)c1NC(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
Brc1cccc(-c2csc(C3CCC3)n2)c1 C1CC(C1)[*:1] Brc1cccc(c1)-c1csc(n1)[*:1]
CCOC(=O)CCCN1C[C@@H](C)OC[C@@H]1c1ccccc1 CCOC(=O)C[*:1] C[C@@H]1CN(CC[*:1])[C@H](CO1)c1ccccc1
CCOC(=O)CCCN1C[C@@H](C)OC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)CCCN1C[C@@H](C)OC[C@H]1[*:1]
CCOC(=O)CCCN1C[C@@H](C)OC[C@@H]1c1ccccc1 CCOC(=O)[*:1] C[C@@H]1CN(CCC[*:1])[C@H](CO1)c1ccccc1
CCOC(=O)CCCN1C[C@@H](C)OC[C@@H]1c1ccccc1 CCOC(=O)CC[*:1] C[C@@H]1CN(C[*:1])[C@H](CO1)c1ccccc1
CC[NH+](CC)CCN(C(=O)c1coc2ccccc2c1=O)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] CC[NH+](CC)CCN(C(=O)c1coc2ccccc2c1=O)[*:1]
O=C(/C=C/c1cccs1)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 C(=C[*:1])c1cccs1 O=C(Nc1ccc(cc1)OCc1nnc(o1)-c1ccccc1)[*:1]
O=C(/C=C/c1cccs1)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)OCc1nnc(o1)[*:1]
O=C(/C=C/c1cccs1)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 c1csc(c1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)OCc1nnc(o1)-c1ccccc1
C[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)C[C@@H]1C O=[N+]([O-])[*:1] C[C@H]1CN(C[C@@H]1C)c1ccc(C#N)c(c1)[*:1]
CS[C@H]1CCC[C@H]1NC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CS[C@H]1CCC[C@H]1NC(=O)N1CCN(CC1)[*:1]
CN(C(=O)c1c[nH]c2nccc(Cl)c12)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)c1c[nH]c2nccc(Cl)c12)[C@@H]1CCC[C@H]1[*:1]
O=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1cccnc1 O=C(N[*:1])c1cccnc1 O=C(CCn1c(CC[*:1])nc2ccccc21)N1CCCCCC1
O=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1cccnc1 c1cncc(c1)[*:1] O=C(CCn1c(CCNC(=O)[*:1])nc2ccccc21)N1CCCCCC1
O=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1cccnc1 O=C(NC[*:1])c1cccnc1 O=C(CCn1c(C[*:1])nc2ccccc21)N1CCCCCC1
O=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1cccnc1 O=C(N1CCCCCC1)[*:1] O=C(NCCc1nc2ccccc2n1CC[*:1])c1cccnc1
O=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1cccnc1 O=C(C[*:1])N1CCCCCC1 O=C(NCCc1nc2ccccc2n1C[*:1])c1cccnc1
CC(C)[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)C(=O)Nc1ccc2NC(=O)CCc2c1)[*:1]
CC(C)[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1 CC(C)[*:1] O=C1CCc2cc(ccc2N1)NC(=O)C(=O)N[C@@H](c1ccccc1)[*:1]
CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 CCN(CC)S(=O)(=O)[*:1] Cc1cc(cc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)c1C)[*:1]
C[NH+](C)CCC[NH+](C)CCC(C)(C)O CC(C)(O)[*:1] C[NH+](C)CCC[NH+](C)CC[*:1]
CO/C([O-])=C1\C(C)=Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1ccccc1C CC(C)C[*:1] CO/C([O-])=C1\C(C)=Nc2nc([nH]c(=O)c2[C@@H]1c1ccccc1C)S[*:1]
CO/C([O-])=C1\C(C)=Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1ccccc1C CC(C)CS[*:1] CO/C([O-])=C1\C(C)=Nc2nc([nH]c(=O)c2[C@@H]1c1ccccc1C)[*:1]
CO/C([O-])=C1\C(C)=Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1ccccc1C CC(C)[*:1] CO/C([O-])=C1\C(C)=Nc2nc([nH]c(=O)c2[C@@H]1c1ccccc1C)SC[*:1]
CO/C([O-])=C1\C(C)=Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1ccccc1C Cc1ccccc1[*:1] CO/C([O-])=C1\C(C)=Nc2nc([nH]c(=O)c2[C@H]1[*:1])SCC(C)C
O=C(CS(=O)(=O)Cc1ccon1)Nc1ccccc1 c1cc(no1)[*:1] O=C(CS(=O)(=O)C[*:1])Nc1ccccc1
O=C(CS(=O)(=O)Cc1ccon1)Nc1ccccc1 c1cc(C[*:1])no1 O=C(CS(=O)(=O)[*:1])Nc1ccccc1
O=C(CS(=O)(=O)Cc1ccon1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)Cc1ccon1)N[*:1]
CCOC(=O)C1CCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 CCOC(=O)[*:1] O=C1NC(C(=O)N1CN1CCC(CC1)[*:1])(c1ccccc1)c1ccccc1
CCOC(=O)C1CCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)CN1C(=O)NC(C1=O)(c1ccccc1)[*:1]
O=C(CN(C1=[NH+]CCCCC1)c1ccc2c(c1)OCCO2)c1ccccc1 c1ccc(cc1)[*:1] O=C(CN(C1CCCCC[NH+]=1)c1ccc2OCCOc2c1)[*:1]
O=C(CN(C1=[NH+]CCCCC1)c1ccc2c(c1)OCCO2)c1ccccc1 O=C(c1ccccc1)[*:1] c1cc2OCCOc2cc1N(C[*:1])C1CCCCC[NH+]=1
O=C(CN(C1=[NH+]CCCCC1)c1ccc2c(c1)OCCO2)c1ccccc1 O=C(C[*:1])c1ccccc1 c1cc2OCCOc2cc1N(C1CCCCC[NH+]=1)[*:1]
O=C(OC[C@H]1CC1(Cl)Cl)c1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(OC[C@H]1CC1(Cl)Cl)c1ccn(n1)[*:1]
CN(CC(=O)NC1CCCC1)c1nc2c(C(F)(F)F)cccc2s1 C1CCC(C1)[*:1] CN(CC(=O)N[*:1])c1nc2c(cccc2s1)C(F)(F)F
CN(CC(=O)NC1CCCC1)c1nc2c(C(F)(F)F)cccc2s1 FC(F)(F)[*:1] CN(CC(=O)NC1CCCC1)c1nc2c(cccc2s1)[*:1]
CN(CC(=O)NC1CCCC1)c1nc2c(C(F)(F)F)cccc2s1 O=C(NC1CCCC1)[*:1] CN(C[*:1])c1nc2c(cccc2s1)C(F)(F)F
C[C@H](C(=O)Nc1ccc(Cl)cc1F)S(=O)(=O)c1ccc(F)c(F)c1 Fc1cc(Cl)ccc1[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)c1ccc(F)c(F)c1
C[C@H](C(=O)Nc1ccc(Cl)cc1F)S(=O)(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](C(=O)Nc1ccc(Cl)cc1F)S(=O)(=O)[*:1]
Cc1sc(NC(=O)CCN2CCCC2=O)c(C(N)=O)c1C O=C1CCCN1[*:1] Cc1sc(NC(=O)CC[*:1])c(C(N)=O)c1C
Cc1sc(NC(=O)CCN2CCCC2=O)c(C(N)=O)c1C NC(=O)[*:1] Cc1sc(NC(=O)CCN2CCCC2=O)c(c1C)[*:1]
Cc1sc(NC(=O)CCN2CCCC2=O)c(C(N)=O)c1C O=C1CCCN1C[*:1] Cc1sc(NC(=O)C[*:1])c(C(N)=O)c1C
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C1CC1)N1CCC(CC1)NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)[*:1]
CCOc1ccccc1NC(=O)/C=C(/c1ccccc1)C(F)(F)F CCO[*:1] O=C(/C=C(/c1ccccc1)C(F)(F)F)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)/C=C(/c1ccccc1)C(F)(F)F FC(F)(F)[*:1] CCOc1ccccc1NC(=O)C=C(c1ccccc1)[*:1]
CCOc1ccccc1NC(=O)/C=C(/c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)/C=C(\C(F)(F)F)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2OC(C)C)C1 CCC[*:1] CC(C)Oc1ccccc1C(=O)N1CCC[C@H](C1)NC(=O)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2OC(C)C)C1 CC(C)O[*:1] CCCC(=O)N[C@@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2OC(C)C)C1 CCCC(=O)N[*:1] CC(C)Oc1ccccc1C(=O)N1CCC[C@H](C1)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2OC(C)C)C1 CC(C)[*:1] CCCC(=O)N[C@@H]1CCCN(C1)C(=O)c1ccccc1O[*:1]
COc1ccccc1[C@@H](CNCc1ccc(Cl)o1)[NH+](C)C Clc1ccc(C[*:1])o1 COc1ccccc1[C@@H](CN[*:1])[NH+](C)C
COc1ccccc1[C@@H](CNCc1ccc(Cl)o1)[NH+](C)C Clc1ccc(o1)[*:1] COc1ccccc1[C@@H](CNC[*:1])[NH+](C)C
Cc1nnc(-c2cccc(C#N)c2)n1CCc1cnn(C)c1 Cn1cc(cn1)C[*:1] Cc1nnc(-c2cccc(C#N)c2)n1C[*:1]
Cc1nnc(-c2cccc(C#N)c2)n1CCc1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1nnc(-c2cccc(C#N)c2)n1CC[*:1]
CC[C@H](COC)NC(=O)c1cnc(C)s1 COC[*:1] CC[C@H](NC(=O)c1cnc(C)s1)[*:1]
CCCC(=O)NC[C@H](Nc1ccccc1)C(C)C CCCC(=O)N[*:1] CC(C)[C@H](C[*:1])Nc1ccccc1
CCCC(=O)NC[C@H](Nc1ccccc1)C(C)C CCC[*:1] CC(C)[C@H](CNC(=O)[*:1])Nc1ccccc1
CCCC(=O)NC[C@H](Nc1ccccc1)C(C)C c1ccc(cc1)[*:1] CCCC(=O)NC[C@H](N[*:1])C(C)C
CCCC(=O)NC[C@H](Nc1ccccc1)C(C)C CC(C)[*:1] CCCC(=O)NC[C@H](Nc1ccccc1)[*:1]
O=C(CCC1CCN(C(=O)CCc2ccc(F)cc2)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(CCc1ccc(F)cc1)N1CCC(CC1)C[*:1]
O=C(CCC1CCN(C(=O)CCc2ccc(F)cc2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(CCc1ccc(F)cc1)N1CCC(CC1)CC[*:1]
O=C(CCC1CCN(C(=O)CCc2ccc(F)cc2)CC1)N1CCCC1 Fc1ccc(cc1)C[*:1] O=C(CCC1CCN(CC1)C(=O)C[*:1])N1CCCC1
O=C(CCC1CCN(C(=O)CCc2ccc(F)cc2)CC1)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(CCC1CCN(CC1)C(=O)CC[*:1])N1CCCC1
CCc1nn(C)c(OC)c1CN1CC[C@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CCc1nn(C)c(OC)c1CN1CC[C@@H](C1)O[*:1]
CCc1nn(C)c(OC)c1CN1CC[C@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)O[*:1] CCc1nn(C)c(OC)c1CN1CC[C@H](C1)[*:1]
CC(C)(CCO)C[NH2+]Cc1cc(Br)ccc1F OCC[*:1] CC(C)(C[NH2+]Cc1cc(Br)ccc1F)[*:1]
O=C(N=c1[nH]c2ccccc2[nH]1)c1sccc1C1CC1 C1CC1[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)c1sccc1[*:1]
CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C/c1sccc1C NC(=O)[*:1] CC/N=c1\scc(-c2ccc(O)c(c2)[*:1])n1/N=C/c1sccc1C
CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C/c1sccc1C Cc1ccsc1[*:1] CC/N=c1\scc(-c2ccc(O)c(c2)C(N)=O)n1N=C[*:1]
O=c1[nH]nc(CSCCCNc2ncccn2)[nH]1 O=c1[nH]nc([nH]1)[*:1] c1cnc(nc1)NCCCSC[*:1]
O=c1[nH]nc(CSCCCNc2ncccn2)[nH]1 c1cnc(nc1)[*:1] O=c1[nH]nc(CSCCCN[*:1])[nH]1
CCOCCn1c(NN)nc2c1c(=O)n(C)c(=O)n2C CCOC[*:1] Cn1c(=O)c2c(nc(NN)n2C[*:1])n(C)c1=O
CCOCCn1c(NN)nc2c1c(=O)n(C)c(=O)n2C CCO[*:1] Cn1c(=O)c2c(nc(NN)n2CC[*:1])n(C)c1=O
CCOCCn1c(NN)nc2c1c(=O)n(C)c(=O)n2C CCOCC[*:1] Cn1c(=O)c2c(nc(NN)n2[*:1])n(C)c1=O
C[C@@H]1CC[C@H](C(N)=O)CN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 c1ccc(nc1)[*:1] C[C@@H]1CC[C@@H](CN1c1nc(nc2scc(-c3ccccc3)c12)[*:1])C(N)=O
C[C@@H]1CC[C@H](C(N)=O)CN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 NC(=O)[*:1] C[C@@H]1CC[C@H](CN1c1nc(nc2scc(-c3ccccc3)c12)-c1ccccn1)[*:1]
C[C@@H]1CC[C@H](C(N)=O)CN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 c1ccc(cc1)[*:1] C[C@@H]1CC[C@@H](CN1c1nc(nc2scc(c12)[*:1])-c1ccccn1)C(N)=O
CCN(C1CCCC1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 C1CCC(C1)[*:1] CCN(S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCCCCC3)cc2)cc1 O=C(N1CCCCCC1)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)CC[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCCCCC3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1ccc(cc1)S(=O)(=O)N[*:1])N1CCCCCC1
O=C([C@H](Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)c1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] O=C([C@H](Sc1nc2cc(ccc2o1)S(=O)(=O)N1CCOCC1)[*:1])N1CCCC1
O=C([C@H](Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)c1ccccc1)N1CCCC1 O=S(=O)(N1CCOCC1)[*:1] O=C([C@H](Sc1nc2cc(ccc2o1)[*:1])c1ccccc1)N1CCCC1
O=C([C@H](Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)c1ccccc1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(c1ccc2oc(nc2c1)S[C@H](c1ccccc1)[*:1])N1CCOCC1
CCOc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1C CCOc1ccccc1[*:1] Cc1ccccc1-n1ncc2c(ncnc21)SCC(=O)N[*:1]
CCOc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1C Cc1ccccc1[*:1] CCOc1ccccc1NC(=O)CSc1ncnc2c1cnn2[*:1]
CCOc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1C CCO[*:1] Cc1ccccc1-n1ncc2c(ncnc21)SCC(=O)Nc1ccccc1[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 c1cncc(c1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)N[*:1])c1ccc(Cl)cc1Cl
CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 O=C(Nc1cccnc1)[*:1] CC1Nc2ncnn2[C@@H](C=1[*:1])c1ccc(Cl)cc1Cl
CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 Clc1ccc(c(Cl)c1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)Nc1cccnc1)[*:1]
C[NH+](Cc1cccc(C#N)c1)CC1(CS)CCC1 SCC1(CCC1)[*:1] C[NH+](Cc1cccc(C#N)c1)C[*:1]
Cc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 Cc1ccccc1[*:1] CC(C)C[NH+]1CCC(CC1)NC(=O)C(=O)N[*:1]
Cc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] Cc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC1)[*:1]
Cc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 CC(C)[*:1] Cc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC1)C[*:1]
C[C@H]1OCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1ccccc1[*:1]
COCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(OC)cc2)c1 COC[*:1] COc1ccc(cc1)N1C(=O)CS[C@@H]1c1cccc(c1)NC(=O)[*:1]
COCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(OC)cc2)c1 COCC(=O)N[*:1] COc1ccc(cc1)N1C(=O)CS[C@@H]1c1cccc(c1)[*:1]
COCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(OC)cc2)c1 COc1ccc(cc1)[*:1] COCC(=O)Nc1cccc(c1)[C@H]1SCC(=O)N1[*:1]
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2cc[nH]n2)CC1 c1cc(C[*:1])n[nH]1 O=C(c1ccc(Cl)cc1F)N1CCN(CC1)[*:1]
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2cc[nH]n2)CC1 c1cc(n[nH]1)[*:1] O=C(c1ccc(Cl)cc1F)N1CCN(CC1)C[*:1]
COc1cc(C)sc1C(=O)NNC(=O)Cc1cccc2ccccc12 COc1cc(C)sc1[*:1] O=C(Cc1cccc2ccccc12)NNC(=O)[*:1]
CCn1c(CNC(=O)Nc2ccccc2C(C)(C)C)n[nH]c1=S CC(C)(C)[*:1] CCn1c(CNC(=O)Nc2ccccc2[*:1])n[nH]c1=S
CCOc1cc(F)ccc1NC(=O)c1cc(OC)cc(OC)c1 CCO[*:1] COc1cc(cc(c1)C(=O)Nc1ccc(F)cc1[*:1])OC
C[C@H]1CN(CC2CCN(C(=O)NCc3ncnn3C)CC2)C[C@@H](C)O1 Cn1ncnc1C[*:1] C[C@H]1CN(CC2CCN(CC2)C(=O)N[*:1])C[C@@H](C)O1
C[C@H]1CN(CC2CCN(C(=O)NCc3ncnn3C)CC2)C[C@@H](C)O1 Cn1ncnc1[*:1] C[C@H]1CN(CC2CCN(CC2)C(=O)NC[*:1])C[C@@H](C)O1
C=CCOc1c(F)cc(CC[NH3+])cc1F C=CC[*:1] [NH3+]CCc1cc(F)c(O[*:1])c(F)c1
C=CCOc1c(F)cc(CC[NH3+])cc1F C=CCO[*:1] [NH3+]CCc1cc(F)c(c(F)c1)[*:1]
C=CCOc1c(F)cc(CC[NH3+])cc1F [NH3+]CC[*:1] C=CCOc1c(F)cc(cc1F)[*:1]
C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 O=[N+]([O-])[*:1] C[C@@H](CCc1ccccc1[*:1])[NH2+][C@@H](C)[C@@H]1CN(C)CCO1
C[C@H](O)C[C@H](C)CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2 C[C@H](O)[*:1] C[C@H](CNC(=O)Nc1ccc2OC(C)(C)Oc2c1)C[*:1]
C[C@H](O)C[C@H](C)CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2 C[C@H](O)C[*:1] C[C@H](CNC(=O)Nc1ccc2OC(C)(C)Oc2c1)[*:1]
N#CCn1ccc2cc(C=O)ccc21 N#CC[*:1] O=Cc1ccc2c(ccn2[*:1])c1
CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C(=O)NC2CC2)c1 O=C([O-])[*:1] CC(C)(CC(=O)Nc1cccc(c1)C(=O)NC1CC1)C[*:1]
CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(c1)[*:1]
CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(c1)C(=O)N[*:1]
COC(=O)c1sc2nc(C)nc(N3CCN(c4ccc(O)cc4)CC3)c2c1C Oc1ccc(cc1)[*:1] COC(=O)c1sc2nc(C)nc(c2c1C)N1CCN(CC1)[*:1]
COC(=O)c1sc2nc(C)nc(N3CCN(c4ccc(O)cc4)CC3)c2c1C COC(=O)[*:1] Cc1nc(c2c(C)c(sc2n1)[*:1])N1CCN(CC1)c1ccc(O)cc1
CC(C)N(C(=O)[C@H]1CCO[C@H]1C)C1CCCC1 CC(C)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N(C1CCCC1)[*:1]
CC(C)N(C(=O)[C@H]1CCO[C@H]1C)C1CCCC1 C1CCC(C1)[*:1] CC(C)N(C(=O)[C@H]1CCO[C@H]1C)[*:1]
O=CN[C@H]1CCCC[C@@H]1c1ccc([C@H]2CCCC[C@@H]2NC=O)cc1 O=CN[*:1] O=CN[C@H]1CCCC[C@@H]1c1ccc(cc1)[C@H]1CCCC[C@@H]1[*:1]
O=C(NCCc1ccc(Br)s1)c1ccc2ncsc2c1 Brc1ccc(s1)[*:1] O=C(NCC[*:1])c1ccc2ncsc2c1
CCCc1nnc(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)s1 CCCc1nnc(S[*:1])s1 CCn1c2ccccc2c2cc(ccc21)NC(=O)C[*:1]
CCCc1nnc(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)s1 CCC[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)CSc1nnc(s1)[*:1]
CCCc1nnc(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)s1 CCCc1nnc(s1)[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)CS[*:1]
CCOc1ccc(N)cc1COC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CCOc1ccc(N)cc1CO[*:1]
CCOc1ccc(N)cc1COC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCOc1ccc(N)cc1COC[*:1]
CCOc1ccc(N)cc1COC[C@@H]1CCCO1 CCO[*:1] Nc1ccc(c(c1)COC[C@@H]1CCCO1)[*:1]
COC(=O)Cc1csc(NC(=O)Nc2ccccc2Cl)n1 Clc1ccccc1[*:1] COC(=O)Cc1csc(n1)NC(=O)N[*:1]
COC(=O)Cc1csc(NC(=O)Nc2ccccc2Cl)n1 COC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])Nc1ccccc1Cl
COC(=O)Cc1csc(NC(=O)Nc2ccccc2Cl)n1 COC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])Nc1ccccc1Cl
CC[C@H](CC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)[*:1] CC[C@H](CC(=O)N(C)[C@H](C)C[*:1])c1ccccc1
CC[C@H](CC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)C[*:1] CC[C@H](CC(=O)N(C)[C@H](C)[*:1])c1ccccc1
CC[C@H](CC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CC(=O)N(C)[C@H](C)CS(C)(=O)=O)[*:1]
CC[C@H](CC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1ccccc1 C[C@H](CS(C)(=O)=O)[*:1] CC[C@H](CC(=O)N(C)[*:1])c1ccccc1
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](n2ccc(C)n2)C1 O=C([O-])[*:1] C[NH2+][C@]1(CC[C@@H](C1)n1ccc(C)n1)[*:1]
Cc1ccc(C)c(NS(=O)(=O)c2cccc(C(N)=O)c2)c1 NC(=O)[*:1] Cc1ccc(C)c(c1)NS(=O)(=O)c1cccc(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)C(=O)N[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@H](C1)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)C(=O)NC[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@H](C1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@H](CNC(=O)[*:1])C1
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[*:1]
C[C@H]1CC[C@H](C)N(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)C1 c1ccc(cc1)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)NC[C@@H](C)c1nc(no1)[*:1]
O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cn2nccc2-c2ccncc2)C1 c1cc(ccn1)[*:1] O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C1)Cn1nccc1[*:1]
O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cn2nccc2-c2ccncc2)C1 Fc1ccc(cc1)[*:1] O=C(N[C@@H]1CCN(C1)Cn1nccc1-c1ccncc1)N[*:1]
CC(C)(C)c1noc(CCC(=O)N(CC2CC2)c2ccccc2)n1 C1CC1[*:1] CC(C)(C)c1noc(CCC(=O)N(C[*:1])c2ccccc2)n1
CC(C)(C)c1noc(CCC(=O)N(CC2CC2)c2ccccc2)n1 C1CC1C[*:1] CC(C)(C)c1noc(CCC(=O)N(c2ccccc2)[*:1])n1
CC(C)(C)c1noc(CCC(=O)N(CC2CC2)c2ccccc2)n1 CC(C)(C)[*:1] O=C(CCc1nc(no1)[*:1])N(CC1CC1)c1ccccc1
CC(C)(C)c1noc(CCC(=O)N(CC2CC2)c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)(C)c1noc(CCC(=O)N(CC2CC2)[*:1])n1
Cn1ncc(C(=O)Nc2ccc(I)cc2)c1C(F)(F)F FC(F)(F)[*:1] Cn1ncc(C(=O)Nc2ccc(I)cc2)c1[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)c1ccc(cc1)[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)c1ccc(-n2ccnc2)cc1 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])c1ccc(cc1)-n1ccnc1
C[C@H](Cl)C(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 C[C@H](Cl)[*:1] O=C(N1CCN(CC1)Cc1nc(cs1)C1CC1)[*:1]
C[C@H](Cl)C(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 C1CC1[*:1] C[C@H](Cl)C(=O)N1CCN(CC1)Cc1nc(cs1)[*:1]
CCNC(=O)N1CCc2ccc(NC(=O)c3ccnc(Cl)c3)cc21 Clc1cc(ccn1)[*:1] CCNC(=O)N1CCc2ccc(cc21)NC(=O)[*:1]
O=C(CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1)NCc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(CC1CCN(CC1)C(=O)c1ccc2oc(nc2c1)C1CC1)N[*:1]
O=C(CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CC1CCN(CC1)C(=O)c1ccc2oc(nc2c1)C1CC1)NC[*:1]
O=C(CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1)NCc1cccc(F)c1 C1CC1[*:1] O=C(CC1CCN(CC1)C(=O)c1ccc2oc(nc2c1)[*:1])NCc1cccc(F)c1
COC(=O)c1cc(CSCc2nnc(C)n2C)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CSCc1nnc(C)n1C
Cc1c(/C=C(/C#N)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc(C#N)n1C Cc1c(cc(C#N)n1C)[*:1] C[C@H]1CCC[C@@](CNC(=O)C(C#N)=C[*:1])(C1)[NH+](C)C
Cc1cc(C(F)F)c2c(C3CC3)nn(-c3ccccc3)c2n1 FC(F)[*:1] Cc1cc(c2c(nn(-c3ccccc3)c2n1)C1CC1)[*:1]
Cc1cc(C(F)F)c2c(C3CC3)nn(-c3ccccc3)c2n1 C1CC1[*:1] Cc1cc(c2c(nn(-c3ccccc3)c2n1)[*:1])C(F)F
Cc1cc(C(F)F)c2c(C3CC3)nn(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1cc(c2c(nn(c2n1)[*:1])C1CC1)C(F)F
CC(=O)c1ccc(N(CCC#N)C2CC2)cc1O N#CCC[*:1] CC(=O)c1ccc(cc1O)N(C1CC1)[*:1]
CC(=O)c1ccc(N(CCC#N)C2CC2)cc1O N#CC[*:1] CC(=O)c1ccc(cc1O)N(C[*:1])C1CC1
CC(=O)c1ccc(N(CCC#N)C2CC2)cc1O CC(=O)[*:1] N#CCCN(c1ccc(c(O)c1)[*:1])C1CC1
CC(=O)c1ccc(N(CCC#N)C2CC2)cc1O C1CC1[*:1] CC(=O)c1ccc(cc1O)N(CCC#N)[*:1]
COCc1ccc(CN2CCO[C@H](C(=O)OC)C2)o1 COC[*:1] COC(=O)[C@@H]1CN(CCO1)Cc1ccc(o1)[*:1]
COCc1ccc(CN2CCO[C@H](C(=O)OC)C2)o1 COC(=O)[*:1] COCc1ccc(CN2CCO[C@H](C2)[*:1])o1
CC[NH2+]Cc1cc(Br)ccc1O[C@H](C)[C@H](C)O C[C@H](O)[*:1] CC[NH2+]Cc1cc(Br)ccc1O[C@H](C)[*:1]
CC[NH2+]Cc1cc(Br)ccc1O[C@H](C)[C@H](C)O C[C@H](O)[C@@H](C)[*:1] CC[NH2+]Cc1cc(Br)ccc1O[*:1]
COc1ccc(Cl)cc1C(=O)NC[C@@](O)(c1ccco1)C1CC1 c1coc(c1)[*:1] COc1ccc(Cl)cc1C(=O)NC[C@@](O)(C1CC1)[*:1]
COc1ccc(Cl)cc1C(=O)NC[C@@](O)(c1ccco1)C1CC1 C1CC1[*:1] COc1ccc(Cl)cc1C(=O)NC[C@@](O)(c1ccco1)[*:1]
CCCS(=O)(=O)[N-]c1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCS(=O)(=O)[N-]c1ccc(Cl)cc1[*:1]
CCCS(=O)(=O)[N-]c1ccc(Cl)cc1[N+](=O)[O-] CCC[*:1] O=[N+]([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)[*:1]
Cc1nc(C)c(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)o1 CC(C)[*:1] Cc1nc(C)c(o1)C(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)[*:1]
Cc1nc(C)c(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)o1 CC(C)[C@H](C)[*:1] Cc1nc(C)c(o1)C(=O)N1CSC[C@@H]1C(=O)N[*:1]
Cc1nc(C)c(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)o1 Cc1nc(C)c(o1)[*:1] CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[*:1]
Cn1ccnc(NC(=O)c2ccc(SCc3ccccc3)cc2)c1=O Cn1ccnc(c1=O)[*:1] O=C(N[*:1])c1ccc(cc1)SCc1ccccc1
Cn1ccnc(NC(=O)c2ccc(SCc3ccccc3)cc2)c1=O c1ccc(cc1)C[*:1] Cn1ccnc(NC(=O)c2ccc(cc2)S[*:1])c1=O
Cn1ccnc(NC(=O)c2ccc(SCc3ccccc3)cc2)c1=O c1ccc(cc1)CS[*:1] Cn1ccnc(NC(=O)c2ccc(cc2)[*:1])c1=O
Cn1ccnc(NC(=O)c2ccc(SCc3ccccc3)cc2)c1=O c1ccc(cc1)[*:1] Cn1ccnc(NC(=O)c2ccc(cc2)SC[*:1])c1=O
CC[C@@H](CO)N1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 CC[C@@H](CO)N1CCN(CC1)C(=O)Nc1ccnn1[*:1]
CC[C@@H](CO)N1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CC[C@@H](CO)N1CCN(CC1)C(=O)Nc1ccnn1C[*:1]
Cc1cc(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])N1CCN(CC1)C(=O)C[NH+]1CCC(C)CC1
Cc1cc(C)cc(CS(=O)(=O)Cc2nc(-c3cccc(C)c3)no2)c1 Cc1cc(C)cc(c1)[*:1] Cc1cccc(c1)-c1noc(CS(=O)(=O)C[*:1])n1
Cc1cc(C)cc(CS(=O)(=O)Cc2nc(-c3cccc(C)c3)no2)c1 Cc1cccc(c1)[*:1] Cc1cc(C)cc(c1)CS(=O)(=O)Cc1nc(no1)[*:1]
CCn1cc(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)cn1 CC(C)(C)[*:1] CCn1cc(cn1)C(=O)N[C@@H](C)C(=O)N[*:1]
C/[NH+]=C(/NCc1coc(-c2ccc(C)cc2)n1)N[C@@H](C)c1ccc(C)o1 Cc1ccc(o1)[*:1] C/[NH+]=C(/NCc1coc(n1)-c1ccc(C)cc1)N[C@@H](C)[*:1]
C/[NH+]=C(/NCc1coc(-c2ccc(C)cc2)n1)N[C@@H](C)c1ccc(C)o1 Cc1ccc(cc1)[*:1] C/[NH+]=C(/NCc1coc(n1)[*:1])N[C@@H](C)c1ccc(C)o1
C/[NH+]=C(/NCc1coc(-c2ccc(C)cc2)n1)N[C@@H](C)c1ccc(C)o1 Cc1ccc(o1)[C@H](C)[*:1] C/[NH+]=C(/NCc1coc(n1)-c1ccc(C)cc1)N[*:1]
Cc1cc(CNC(=O)N2CCC[C@H]2CC2CCCCC2)no1 Cc1cc(no1)[*:1] O=C(NC[*:1])N1CCC[C@H]1CC1CCCCC1
Cc1cc(CNC(=O)N2CCC[C@H]2CC2CCCCC2)no1 Cc1cc(C[*:1])no1 O=C(N[*:1])N1CCC[C@H]1CC1CCCCC1
Cc1cc(CNC(=O)N2CCC[C@H]2CC2CCCCC2)no1 C1CCC(CC1)C[*:1] Cc1cc(CNC(=O)N2CCC[C@@H]2[*:1])no1
Cc1cc(CNC(=O)N2CCC[C@H]2CC2CCCCC2)no1 C1CCC(CC1)[*:1] Cc1cc(CNC(=O)N2CCC[C@H]2C[*:1])no1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCc1ccccc1OC(C)(C)C CC(C)(C)O[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCc1ccccc1[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCc1ccccc1OC(C)(C)C Cc1n[nH]c(C)c1C[*:1] C[C@@H](C(=O)NCc1ccccc1OC(C)(C)C)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCc1ccccc1OC(C)(C)C CC(C)(C)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCc1ccccc1O[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCc1ccccc1OC(C)(C)C Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)NCc1ccccc1OC(C)(C)C
O=C(c1ccco1)N1CCC[C@H]1[C@H](O)c1nc2ccccc2s1 c1coc(c1)[*:1] O=C(N1CCC[C@H]1[C@H](O)c1nc2ccccc2s1)[*:1]
CC(C)Oc1ccc(CNC(=O)NCc2ccc3c(c2)OCO3)cc1F CC(C)O[*:1] O=C(NCc1ccc(c(F)c1)[*:1])NCc1ccc2OCOc2c1
CC(C)Oc1ccc(CNC(=O)NCc2ccc3c(c2)OCO3)cc1F CC(C)[*:1] O=C(NCc1ccc(O[*:1])c(F)c1)NCc1ccc2OCOc2c1
c1c2c(cc3c1OCCO3)[C@H]([NH2+]CCCCn1cnnc1)CC2 c1nncn1[*:1] c1c2CC[C@@H]([NH2+]CCCC[*:1])c2cc2OCCOc12
c1c2c(cc3c1OCCO3)[C@H]([NH2+]CCCCn1cnnc1)CC2 c1nncn1CC[*:1] c1c2CC[C@@H]([NH2+]CC[*:1])c2cc2OCCOc12
c1c2c(cc3c1OCCO3)[C@H]([NH2+]CCCCn1cnnc1)CC2 c1nncn1C[*:1] c1c2CC[C@@H]([NH2+]CCC[*:1])c2cc2OCCOc12
CN(C)S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC=CCC2)cc1 CN(C)S(=O)(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@@H]1CC=CCC1
CN(C)c1n[nH]c(=O)c2ccccc12 CN(C)[*:1] O=c1[nH]nc(c2ccccc12)[*:1]
COC(=O)[C@@H](NC(=O)c1cc(C(C)C)no1)c1ccc(F)c(F)c1 COC(=O)[*:1] CC(C)c1cc(on1)C(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COC(=O)[C@@H](NC(=O)c1cc(C(C)C)no1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC(=O)[C@@H](NC(=O)c1cc(no1)C(C)C)[*:1]
COC(=O)[C@@H](NC(=O)c1cc(C(C)C)no1)c1ccc(F)c(F)c1 CC(C)c1cc(on1)[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC(=O)[C@@H](NC(=O)c1cc(C(C)C)no1)c1ccc(F)c(F)c1 CC(C)[*:1] COC(=O)[C@@H](NC(=O)c1cc(no1)[*:1])c1ccc(F)c(F)c1
CCC[NH+](C)Cc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] CCC[NH+](C)Cc1nccn1C[*:1]
CCC[NH+](C)Cc1nccn1Cc1ccccc1 CCC[*:1] C[NH+](Cc1nccn1Cc1ccccc1)[*:1]
CC(=O)c1cccc(NC(=O)c2onc(C)c2Cl)c1 CC(=O)[*:1] Cc1noc(C(=O)Nc2cccc(c2)[*:1])c1Cl
Cc1cnc(-c2cccc(NC(=O)C(=O)N3CCC[C@@H](O)C3)c2)o1 Cc1cnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1CCC[C@@H](O)C1
Cc1cc(C)cc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ncccc32)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)Cn1c(=O)n(CC[*:1])c(=O)c2ncccc21
Cc1cc(C)cc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ncccc32)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2ncccc21
Cc1cc(C)cc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ncccc32)c1 c1ccc(cc1)CC[*:1] Cc1cc(C)cc(c1)NC(=O)Cn1c(=O)n(c(=O)c2ncccc21)[*:1]
Cc1cc(C)cc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ncccc32)c1 Cc1cc(C)cc(c1)[*:1] O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21)N[*:1]
CCOC(=O)c1ccc(NC(=O)c2ccsc2)cc1 c1cc(cs1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[*:1]
CCOC(=O)c1ccc(NC(=O)c2ccsc2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccsc1
Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)no1 Cc1cc(no1)[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCCCC1
CCc1ccc([C@@H](CO)NC(=O)[C@@H]2CC2(Cl)Cl)cc1 ClC1(Cl)C[C@H]1[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)[*:1]
C[C@H](SCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1 CS(=O)(=O)[*:1] C[C@H](SCC(=O)Nc1ccc(cc1)[*:1])c1ccc(F)cc1
C[C@H](SCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](SCC(=O)Nc1ccc(cc1)S(C)(=O)=O)[*:1]
CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(C)=O c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)CSc1nc(nn1C(C)=O)[*:1]
CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(C)=O CCc1ccccc1[*:1] CC(=O)n1nc(nc1SCC(=O)N[*:1])-c1ccccc1
COC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1 COC(=O)[*:1] Cc1cccc(c1)-n1ncc(c1-n1cccc1)[*:1]
COC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1 c1ccn(c1)[*:1] COC(=O)c1cnn(-c2cccc(C)c2)c1[*:1]
COC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1 Cc1cccc(c1)[*:1] COC(=O)c1cnn(c1-n1cccc1)[*:1]
FC(F)(F)c1ccnc(NCc2cn3ccsc3n2)n1 FC(F)(F)[*:1] c1cc(nc(n1)NCc1cn2ccsc2n1)[*:1]
O=C(Nc1ccn(-c2ncccc2Cl)n1)c1c[nH]c2ccccc12 Clc1cccnc1[*:1] O=C(Nc1ccn(n1)[*:1])c1c[nH]c2ccccc12
O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1ncn(-c2ccccc2)n1 Clc1ccc(cc1)[*:1] O=C(Nc1ccnn1[*:1])c1ncn(n1)-c1ccccc1
O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1ncn(n1)[*:1]
CCC(=O)N1CCC[C@@H](C(=O)NCC(C)(C)c2cccc(C)c2)C1 Cc1cccc(c1)[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)NCC(C)(C)[*:1]
Cc1cc(S(=O)(=O)Oc2cccc(-n3cncn3)c2)c(F)cc1F c1ncn(n1)[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)Oc1cccc(c1)[*:1]
COc1ccc(C)cc1NC(=O)CCNc1c(-c2ccccc2)nc2cnccn12 COc1ccc(C)cc1[*:1] O=C(CCNc1c(nc2cnccn12)-c1ccccc1)N[*:1]
COc1ccc(C)cc1NC(=O)CCNc1c(-c2ccccc2)nc2cnccn12 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)CCNc1c(nc2cnccn12)[*:1]
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(C(F)(F)F)cc1 O=C(N1CCCCC1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)C(F)(F)F
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(F)c(c1)[*:1]
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCN(CC1)C(=O)c1ccc(F)c(c1)C(F)(F)F
CN(CCc1ccccn1)C(=O)CNc1nc(-c2ccncc2)nc2c1CCC2 c1cc(ccn1)[*:1] CN(CCc1ccccn1)C(=O)CNc1nc(nc2CCCc21)[*:1]
CN(CCc1ccccn1)C(=O)CNc1nc(-c2ccncc2)nc2c1CCC2 c1ccc(CC[*:1])nc1 CN(C(=O)CNc1nc(nc2CCCc21)-c1ccncc1)[*:1]
CN(CCc1ccccn1)C(=O)CNc1nc(-c2ccncc2)nc2c1CCC2 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)CNc1nc(nc2CCCc21)-c1ccncc1
CN(CCc1ccccn1)C(=O)CNc1nc(-c2ccncc2)nc2c1CCC2 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)CNc1nc(nc2CCCc21)-c1ccncc1
Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@@H]1C=C[C@H]([NH3+])C1 Cc1ccccc1[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)N(CCC(=O)[O-])[*:1]
Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@@H]1C=C[C@H]([NH3+])C1 O=C([O-])CC[*:1] Cc1ccccc1N(C(=O)[C@@H]1C=C[C@H]([NH3+])C1)[*:1]
Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@@H]1C=C[C@H]([NH3+])C1 O=C([O-])C[*:1] Cc1ccccc1N(C[*:1])C(=O)[C@@H]1C=C[C@H]([NH3+])C1
Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@@H]1C=C[C@H]([NH3+])C1 O=C([O-])[*:1] Cc1ccccc1N(CC[*:1])C(=O)[C@@H]1C=C[C@H]([NH3+])C1
COC(=O)c1ccccc1NC(=O)[C@H]1CCCCC[C@H]1[NH3+] COC(=O)[*:1] [NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1ccccc1[*:1]
Cc1ccn(CCC(=O)N2CCCC[C@H]2c2cc[nH]n2)n1 c1cc(n[nH]1)[*:1] Cc1ccn(CCC(=O)N2CCCC[C@@H]2[*:1])n1
Cc1ccn(CCC(=O)N2CCCC[C@H]2c2cc[nH]n2)n1 Cc1ccn(C[*:1])n1 O=C(C[*:1])N1CCCC[C@H]1c1cc[nH]n1
Cc1ccn(CCC(=O)N2CCCC[C@H]2c2cc[nH]n2)n1 Cc1ccn(n1)[*:1] O=C(CC[*:1])N1CCCC[C@H]1c1cc[nH]n1
C[NH+]1CCN([C@H](C(=O)Nc2ccc(Br)cn2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@H](C(=O)Nc1ccc(Br)cn1)[*:1]
C[NH+]1CCN([C@H](C(=O)Nc2ccc(Br)cn2)c2ccccc2)CC1 Brc1ccc(nc1)[*:1] C[NH+]1CCN(CC1)[C@H](C(=O)N[*:1])c1ccccc1
CCn1cc[nH+]c(NOCc2ccccc2)c1=O c1ccc(cc1)[*:1] CCn1cc[nH+]c(NOC[*:1])c1=O
Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)N[C@@H](C(=O)[O-])[*:1]
Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 O=C([O-])[*:1] Cc1ccc(cc1)NC(=O)N[C@@H](C(C)C)[*:1]
CC[NH+](CC)CCC(=O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[NH+](CC)CCC(=O)[C@@H]1CCC[C@H](C1)[*:1]
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(C)c(F)c2)NC(=S)N1 Cc1ccc(cc1F)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N1CCOCC1)[*:1]
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(C)c(F)c2)NC(=S)N1 O=C(N1CCOCC1)[*:1] CC1NC(=S)N[C@H](C=1[*:1])c1ccc(C)c(F)c1
O=C(Nc1nnc(-c2ccccn2)s1)NC1(c2ccccc2)CCC1 c1ccc(nc1)[*:1] O=C(Nc1nnc(s1)[*:1])NC1(CCC1)c1ccccc1
O=C(Nc1nnc(-c2ccccn2)s1)NC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)-c1ccccn1)NC1(CCC1)[*:1]
CC(C)[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)N1C[C@@H](C)C[C@H](C)C1 c1csc(c1)[*:1] CC(C)[C@@H](Sc1nnc(o1)[*:1])C(=O)N1C[C@@H](C)C[C@H](C)C1
CC(C)[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)N1C[C@@H](C)C[C@H](C)C1 CC(C)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)[C@H](Sc1nnc(o1)-c1cccs1)[*:1]
O=C(NNc1cccc(Cl)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 Clc1cccc(c1)[*:1] O=C(NN[*:1])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
O=C(NNc1cccc(Cl)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NNc1cccc(Cl)c1)[C@@H]1CCCCN1S(=O)(=O)[*:1]
NC(=O)c1cccnc1N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 NC(=O)c1cccnc1[*:1] O=[N+]([O-])c1ccc(c2ccncc12)N1CCN(CC1)[*:1]
NC(=O)c1cccnc1N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 O=[N+]([O-])[*:1] NC(=O)c1cccnc1N1CCN(CC1)c1ccc(c2cnccc12)[*:1]
NC(=O)c1cccnc1N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 NC(=O)[*:1] O=[N+]([O-])c1ccc(c2ccncc12)N1CCN(CC1)c1ncccc1[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c1 CCC(=O)N[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(ccc1Cl)[*:1]
O=C(COc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1)NCc1ccc2c(c1)OCO2 Clc1ccc(cc1)O[*:1] O=C(COc1ccc2c(=O)c(coc2c1)[*:1])NCc1ccc2OCOc2c1
O=C(COc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C(COc1ccc2c(=O)c(coc2c1)Oc1ccc(Cl)cc1)N[*:1]
O=C(COc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(COc1ccc2c(=O)c(coc2c1)Oc1ccc(Cl)cc1)NC[*:1]
O=C(COc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1)NCc1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] O=C(COc1ccc2c(=O)c(coc2c1)O[*:1])NCc1ccc2OCOc2c1
CN(C(=O)NCCCOc1ccc(Cl)cc1Cl)C1CCS(=O)CC1 Clc1ccc(c(Cl)c1)[*:1] CN(C(=O)NCCCO[*:1])C1CCS(=O)CC1
COc1ccccc1N1C(SCCOc2ccccc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 c1ccc(cc1)[*:1] COc1ccccc1N1C(=N[C@@H]2CS(=O)(=O)C[C@H]21)SCCO[*:1]
COc1ccccc1N1C(SCCOc2ccccc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 c1ccc(cc1)O[*:1] COc1ccccc1N1C(=N[C@@H]2CS(=O)(=O)C[C@H]21)SCC[*:1]
COc1ccccc1N1C(SCCOc2ccccc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 c1ccc(cc1)OC[*:1] COc1ccccc1N1C(=N[C@@H]2CS(=O)(=O)C[C@H]21)SC[*:1]
COc1ccccc1N1C(SCCOc2ccccc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 c1ccc(cc1)OCC[*:1] COc1ccccc1N1C(=N[C@@H]2CS(=O)(=O)C[C@H]21)S[*:1]
COc1ccccc1N1C(SCCOc2ccccc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 COc1ccccc1[*:1] O=S1(=O)C[C@H]2N=C(SCCOc3ccccc3)N([C@@H]2C1)[*:1]
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cnc2c(cnn2[*:1])c1=O)c1ccccc1
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)[*:1]
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=c1c2cnn(-c3ccccc3)c2ncn1C[*:1]
N#Cc1ccc(Oc2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 N#Cc1ccc(cc1)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccccc1O[*:1]
N#Cc1ccc(Oc2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 N#Cc1ccc(cc1)O[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccccc1[*:1]
CC(C)(C)CC(=O)N1CCC[C@@H]1c1cc[nH]n1 CC(C)(C)[*:1] O=C(C[*:1])N1CCC[C@@H]1c1cc[nH]n1
CC(C)(C)CC(=O)N1CCC[C@@H]1c1cc[nH]n1 c1cc(n[nH]1)[*:1] CC(C)(C)CC(=O)N1CCC[C@H]1[*:1]
CC(C)(C)CC(=O)N1CCC[C@@H]1c1cc[nH]n1 CC(C)(C)C[*:1] O=C(N1CCC[C@@H]1c1cc[nH]n1)[*:1]
CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] CC1CCN(CC1)c1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC1CCN(CC1)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)CC1 CC1CCN(CC1)[*:1] Cn1c(=O)c2c(nc(n2Cc2ccc(F)cc2)[*:1])n(C)c1=O
CCC[NH2+]Cc1cc(COc2cccnc2C)oc1C CCC[*:1] Cc1ncccc1OCc1cc(C[NH2+][*:1])c(C)o1
CC(C)(C)C(=O)N1CCC[C@@H]1c1cccs1 CC(C)(C)[*:1] O=C(N1CCC[C@@H]1c1cccs1)[*:1]
CC(C)(C)C(=O)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] CC(C)(C)C(=O)N1CCC[C@H]1[*:1]
FC(F)(F)c1ccc(O[C@H]2CCN(CCn3cc[nH+]c3)C2)nc1 FC(F)(F)[*:1] c1cn(c[nH+]1)CCN1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
O=C(c1ccccn1)N1CCC[C@@H]1c1ccc(F)cc1 c1ccc(nc1)[*:1] O=C(N1CCC[C@@H]1c1ccc(F)cc1)[*:1]
Cc1cc(C(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)ccc1F O=C([O-])[*:1] Cc1cc(ccc1F)C(=O)N[C@H]1C=C[C@H](C1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(C(C)C)C3CCOCC3)C2)cc1 C1CC(CCO1)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)N(C(C)C)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(C(C)C)C3CCOCC3)C2)cc1 Cc1ccc(cc1)[*:1] CC(C)N(C(=O)[C@H]1CCCN(C1)C(=O)[*:1])C1CCOCC1
Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(C(C)C)C3CCOCC3)C2)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)N(C1CCOCC1)[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)C(C)(C)C CC(C)[*:1] CC(C)(C)C(=O)NNC(=O)[C@@H](NC(=O)c1ccco1)[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)C(C)(C)C CC(C)(C)[*:1] CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)C(C)(C)C c1coc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NNC(=O)C(C)(C)C
COC(=O)C[C@@H]1CCCCN1C(=O)c1cc(F)cc2cccnc12 COC(=O)C[*:1] O=C(c1cc(F)cc2cccnc12)N1CCCC[C@H]1[*:1]
COC(=O)C[C@@H]1CCCCN1C(=O)c1cc(F)cc2cccnc12 COC(=O)[*:1] O=C(c1cc(F)cc2cccnc12)N1CCCC[C@H]1C[*:1]
COc1cncc(N2CCN(Cc3cc(F)c(O)c(F)c3)CC2)n1 COc1cncc(n1)[*:1] Oc1c(F)cc(cc1F)CN1CCN(CC1)[*:1]
CC(C)(C)c1cc(NC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)n(-c2ccccc2)n1 Fc1ccccc1[*:1] CC(C)(C)c1cc(NC(=O)CCC(=O)N2CCN(CC2)[*:1])n(n1)-c1ccccc1
CC(C)(C)c1cc(NC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)n(-c2ccccc2)n1 CC(C)(C)[*:1] O=C(CCC(=O)N1CCN(CC1)c1ccccc1F)Nc1cc(nn1-c1ccccc1)[*:1]
CC(C)(C)c1cc(NC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)(C)c1cc(NC(=O)CCC(=O)N2CCN(CC2)c2ccccc2F)n(n1)[*:1]
CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)n2nc(C)cc2[nH]1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)n2nc(C)cc2[nH]1)[*:1]
CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)n2nc(C)cc2[nH]1)c1ccc(F)cc1 CCc1noc(C)c1[*:1] Cc1cc2[nH]c(cc(=O)n2n1)C[C@@H](NC(=O)[*:1])c1ccc(F)cc1
CCNC(=O)CN1CCN([C@@H]2C[C@@H](C)OC2=O)CC1 CCNC(=O)C[*:1] C[C@@H]1C[C@H](C(=O)O1)N1CCN(CC1)[*:1]
CCNC(=O)CN1CCN([C@@H]2C[C@@H](C)OC2=O)CC1 CCNC(=O)[*:1] C[C@@H]1C[C@H](C(=O)O1)N1CCN(CC1)C[*:1]
CCOCCCNC(=O)c1c(Br)cnn1CC CCOC[*:1] CCn1ncc(Br)c1C(=O)NCC[*:1]
CCOCCCNC(=O)c1c(Br)cnn1CC CCOCC[*:1] CCn1ncc(Br)c1C(=O)NC[*:1]
CCOCCCNC(=O)c1c(Br)cnn1CC CCO[*:1] CCn1ncc(Br)c1C(=O)NCCC[*:1]
COc1ccc(CN2CCC[C@@H]2CC(=O)c2ccccc2)s1 COc1ccc(s1)[*:1] O=C(C[C@H]1CCCN1C[*:1])c1ccccc1
COc1ccc(CN2CCC[C@@H]2CC(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] COc1ccc(CN2CCC[C@@H]2CC(=O)[*:1])s1
O=C(Nc1ccn(Cc2ccccc2)n1)c1cc[n+]([O-])cc1 [O-][n+]1ccc(cc1)[*:1] O=C(Nc1ccn(Cc2ccccc2)n1)[*:1]
O=C(Nc1ccn(Cc2ccccc2)n1)c1cc[n+]([O-])cc1 c1ccc(cc1)C[*:1] O=C(Nc1ccn(n1)[*:1])c1cc[n+]([O-])cc1
O=C(Nc1ccn(Cc2ccccc2)n1)c1cc[n+]([O-])cc1 c1ccc(cc1)[*:1] O=C(Nc1ccn(C[*:1])n1)c1cc[n+]([O-])cc1
CCNc1nc(Cc2nccs2)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] CCNc1nc(Cc2nccs2)nc(n1)[*:1]
CCNc1nc(Cc2nccs2)nc(N2CCOCC2)n1 c1csc(C[*:1])n1 CCNc1nc(nc(n1)[*:1])N1CCOCC1
CCNc1nc(Cc2nccs2)nc(N2CCOCC2)n1 CCN[*:1] c1csc(Cc2nc(nc(n2)[*:1])N2CCOCC2)n1
CCNc1nc(Cc2nccs2)nc(N2CCOCC2)n1 c1csc(n1)[*:1] CCNc1nc(C[*:1])nc(n1)N1CCOCC1
COC(=O)C1(NC(=O)c2cc(CC(C)C)n[nH]2)CCSCC1 COC(=O)[*:1] CC(C)Cc1cc([nH]n1)C(=O)NC1(CCSCC1)[*:1]
COC(=O)C1(NC(=O)c2cc(CC(C)C)n[nH]2)CCSCC1 CC(C)C[*:1] COC(=O)C1(CCSCC1)NC(=O)c1cc(n[nH]1)[*:1]
COC(=O)C1(NC(=O)c2cc(CC(C)C)n[nH]2)CCSCC1 CC(C)[*:1] COC(=O)C1(CCSCC1)NC(=O)c1cc(C[*:1])n[nH]1
CCOc1ccccc1/N=C1\SC[C@H](C)N1C(=O)c1cncc(Br)c1 CCO[*:1] C[C@H]1CS/C(=N\c2ccccc2[*:1])N1C(=O)c1cncc(Br)c1
CCOc1ccccc1/N=C1\SC[C@H](C)N1C(=O)c1cncc(Br)c1 Brc1cncc(c1)[*:1] CCOc1ccccc1/N=C1\SC[C@H](C)N1C(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1 CC(=O)N[*:1] Cc1cc(C(=O)Nc2ccc(cc2)[*:1])c(C)n1C1CC1
CC(=O)Nc1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1 C1CC1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1cc(C)n(c1C)[*:1]
O=C(NCCc1cnn(-c2ccccc2)c1)Nc1ccc(F)c(F)c1F c1ccc(cc1)[*:1] O=C(NCCc1cnn(c1)[*:1])Nc1ccc(F)c(F)c1F
COc1ccc(-c2nn(Cc3cccc(OC)c3)c(=O)c3noc(C)c23)cc1 COc1cccc(c1)C[*:1] COc1ccc(cc1)-c1nn(c(=O)c2noc(C)c12)[*:1]
COc1ccc(-c2nn(Cc3cccc(OC)c3)c(=O)c3noc(C)c23)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)-c1nn(C[*:1])c(=O)c2noc(C)c12
COc1ccc(-c2nn(Cc3cccc(OC)c3)c(=O)c3noc(C)c23)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)Cn1nc(c2c(C)onc2c1=O)[*:1]
CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccco1 CCOC(=O)[*:1] CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H]([C@@H]1c1ccco1)[*:1]
CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccco1 c1coc(c1)[*:1] CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@H]1[*:1]
CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccco1 CCOC(=O)[*:1] CCOC(=O)[C@H]1[C@H](c2ccco2)[C@@H](C(=O)C[C@@]1(C)O)[*:1]
CC(=O)NCCN1CC[C@H]2CN(C(=O)CC(C)(C)C)CC[C@H]2CC1=O CC(C)(C)[*:1] CC(=O)NCCN1CC[C@H]2CN(CC[C@H]2CC1=O)C(=O)C[*:1]
CC(=O)NCCN1CC[C@H]2CN(C(=O)CC(C)(C)C)CC[C@H]2CC1=O CC(=O)NCC[*:1] CC(C)(C)CC(=O)N1CC[C@H]2CC(=O)N(CC[C@H]2C1)[*:1]
CC(=O)NCCN1CC[C@H]2CN(C(=O)CC(C)(C)C)CC[C@H]2CC1=O CC(=O)N[*:1] CC(C)(C)CC(=O)N1CC[C@H]2CC(=O)N(CC[C@H]2C1)CC[*:1]
CC(=O)NCCN1CC[C@H]2CN(C(=O)CC(C)(C)C)CC[C@H]2CC1=O CC(C)(C)C[*:1] CC(=O)NCCN1CC[C@H]2CN(CC[C@H]2CC1=O)C(=O)[*:1]
CC(=O)NCCN1CC[C@H]2CN(C(=O)CC(C)(C)C)CC[C@H]2CC1=O CC(=O)NC[*:1] CC(C)(C)CC(=O)N1CC[C@H]2CC(=O)N(CC[C@H]2C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)NC[C@H](OC)c2ccccc2)C1 CCOC[*:1] CO[C@@H](CNC(=O)N1CC[C@H](C1)[*:1])c1ccccc1
CCOC[C@@H]1CCN(C(=O)NC[C@H](OC)c2ccccc2)C1 c1ccc(cc1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)NC[C@H](OC)[*:1]
CCOC[C@@H]1CCN(C(=O)NC[C@H](OC)c2ccccc2)C1 CCO[*:1] CO[C@@H](CNC(=O)N1CC[C@H](C1)C[*:1])c1ccccc1
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c(Br)c1 CC(C)[*:1] Cc1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)N[*:1])c(Br)c1
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c(Br)c1 CC(C)NS(=O)(=O)[*:1] Cc1ccc(NC(=O)c2ccc(cc2)[*:1])c(Br)c1
CO[C@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 c1ccc(C[*:1])nc1 CO[C@H](C)C(=O)N1CCC2(CCC(=O)N(C2)[*:1])CC1
CO[C@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 c1ccc(nc1)[*:1] CO[C@H](C)C(=O)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
CCOC(=O)c1sc(NC(=O)N(C)CC[NH+](C)C)cc1C CCOC(=O)[*:1] Cc1cc(NC(=O)N(C)CC[NH+](C)C)sc1[*:1]
CC(C)Cc1noc(Cn2c(CO)nc3ccccc32)n1 CC(C)C[*:1] OCc1nc2ccccc2n1Cc1nc(no1)[*:1]
CC(C)Cc1noc(Cn2c(CO)nc3ccccc32)n1 CC(C)[*:1] OCc1nc2ccccc2n1Cc1nc(C[*:1])no1
Cc1cccc([C@@H]2CCCN2CN2C(=O)C(=O)N(C(C)C)C2=O)c1 Cc1cccc(c1)[*:1] CC(C)N1C(=O)C(=O)N(CN2CCC[C@H]2[*:1])C1=O
Cc1cccc([C@@H]2CCCN2CN2C(=O)C(=O)N(C(C)C)C2=O)c1 CC(C)[*:1] Cc1cccc(c1)[C@@H]1CCCN1CN1C(=O)C(=O)N(C1=O)[*:1]
N#C/C(=C\c1ccc(F)cc1F)C(=O)Nc1cccc(C(F)(F)F)c1 Fc1ccc(c(F)c1)[*:1] N#CC(=C[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
N#C/C(=C\c1ccc(F)cc1F)C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] N#C/C(=C\c1ccc(F)cc1F)C(=O)Nc1cccc(c1)[*:1]
C[C@@H]1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)Cc1cccc(c1)[*:1]
CN1CCN(C(=O)CC2CCCC2)CC1 C1CCC(C1)[*:1] CN1CCN(CC1)C(=O)C[*:1]
Cn1c(S[C@H]2CCCCC2=O)nc2sc3c(c2c1=O)CCC3 O=C1CCCC[C@@H]1[*:1] Cn1c(nc2sc3CCCc3c2c1=O)S[*:1]
CC(C)c1nsc(Sc2nc(-c3ccncc3)n[n-]2)n1 CC(C)[*:1] c1cc(ccn1)-c1n[n-]c(n1)Sc1nc(ns1)[*:1]
CC(C)c1nsc(Sc2nc(-c3ccncc3)n[n-]2)n1 c1cc(ccn1)[*:1] CC(C)c1nsc(n1)Sc1nc(n[n-]1)[*:1]
Cc1ccc(C)c(S(=O)(=O)/N=C(\[O-])[C@H](C)SCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)/N=C(\[O-])[C@H](C)S[*:1]
Cc1ccc(C)c(S(=O)(=O)/N=C(\[O-])[C@H](C)SCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)/N=C(\[O-])[C@H](C)SC[*:1]
Cc1ccc(C)c(S(=O)(=O)/N=C(\[O-])[C@H](C)SCc2ccccc2)c1 c1ccc(cc1)CS[*:1] Cc1ccc(C)c(c1)S(=O)(=O)/N=C(\[O-])[C@H](C)[*:1]
Cc1ccc(C)c(S(=O)(=O)/N=C(\[O-])[C@H](C)SCc2ccccc2)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](SCc1ccccc1)/C([O-])=N/S(=O)(=O)[*:1]
CCC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 CCC(=O)NCC[*:1] Cn1ncc(cc1=O)N1CCO[C@H](C1)[*:1]
CCC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 CCC(=O)N[*:1] Cn1ncc(cc1=O)N1CCO[C@@H](CC[*:1])C1
CCC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 CCC(=O)NC[*:1] Cn1ncc(cc1=O)N1CCO[C@H](C1)C[*:1]
Cc1cc(Sc2ncccn2)ccc1NC(=O)N(C)C1CC1 c1cnc(nc1)[*:1] Cc1cc(ccc1NC(=O)N(C)C1CC1)S[*:1]
Cc1cc(Sc2ncccn2)ccc1NC(=O)N(C)C1CC1 C1CC1[*:1] Cc1cc(ccc1NC(=O)N(C)[*:1])Sc1ncccn1
Cc1cc(Sc2ncccn2)ccc1NC(=O)N(C)C1CC1 c1cnc(nc1)S[*:1] Cc1cc(ccc1NC(=O)N(C)C1CC1)[*:1]
CCc1ccc([C@H]2CCCN2C(=O)NCc2ncn(C)n2)o1 Cn1cnc(n1)[*:1] CCc1ccc(o1)[C@H]1CCCN1C(=O)NC[*:1]
CCc1ccc([C@H]2CCCN2C(=O)NCc2ncn(C)n2)o1 CCc1ccc(o1)[*:1] Cn1cnc(CNC(=O)N2CCC[C@@H]2[*:1])n1
CCc1ccc([C@H]2CCCN2C(=O)NCc2ncn(C)n2)o1 Cn1cnc(C[*:1])n1 CCc1ccc(o1)[C@H]1CCCN1C(=O)N[*:1]
CN(Cc1cccs1)C(=O)Nc1ccc(F)c(C(N)=O)c1 c1csc(c1)C[*:1] CN(C(=O)Nc1ccc(F)c(c1)C(N)=O)[*:1]
CN(Cc1cccs1)C(=O)Nc1ccc(F)c(C(N)=O)c1 c1csc(c1)[*:1] CN(C[*:1])C(=O)Nc1ccc(F)c(c1)C(N)=O
CN(Cc1cccs1)C(=O)Nc1ccc(F)c(C(N)=O)c1 NC(=O)[*:1] CN(Cc1cccs1)C(=O)Nc1ccc(F)c(c1)[*:1]
C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)o1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccccc2Cl)[*:1])o1
C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)o1 Clc1ccccc1[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)[*:1])[C@@H]2CCS(=O)(=O)C2)o1
C[C@@H]1CCCCN1C(=O)c1cc(C(F)(F)F)nn1C FC(F)(F)[*:1] C[C@@H]1CCCCN1C(=O)c1cc(nn1C)[*:1]
CCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1 Clc1ccc(cc1)C[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1ccc(=O)n(c1)[*:1]
CCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1ccc(=O)n(c1)C[*:1]
CCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(=O)n(c1)Cc1ccc(Cl)cc1
C#CCNC(=O)c1ccnc(OC2CCCCC2)c1 C#CCNC(=O)[*:1] c1cc(cc(n1)OC1CCCCC1)[*:1]
C#CCNC(=O)c1ccnc(OC2CCCCC2)c1 C#CC[*:1] O=C(N[*:1])c1ccnc(c1)OC1CCCCC1
C#CCNC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] C#CCNC(=O)c1ccnc(c1)O[*:1]
CC[C@@H]1CO[C@@H](C)CN1[C@@H]1CC[C@@](CO)([NH2+]C2CC2)C1 C1CC1[*:1] CC[C@@H]1CO[C@@H](C)CN1[C@@H]1CC[C@](CO)(C1)[NH2+][*:1]
O=CNc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 O=CN[*:1] O=C(Nc1ccc(cc1)OC[C@H]1CCCO1)c1ccc(cc1)[*:1]
O=CNc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 C1CO[C@H](C1)CO[*:1] O=CNc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc([C@H](NC(=O)c2cccc(N3CCCC3=O)c2)C2CC2)cc1 O=C1CCCN1[*:1] COc1ccc(cc1)[C@H](NC(=O)c1cccc(c1)[*:1])C1CC1
COc1ccc([C@H](NC(=O)c2cccc(N3CCCC3=O)c2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NC(=O)c1cccc(c1)N1CCCC1=O)[*:1]
COc1ccc([C@H](NC(=O)c2cccc(N3CCCC3=O)c2)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](C1CC1)[*:1])c1cccc(c1)N1CCCC1=O
CCCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1=O c1ccc(cc1)C[*:1] CCCN(C(=O)Nc1ccccc1N1CCCC1=O)[*:1]
CCCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] CCCN(Cc1ccccc1)C(=O)Nc1ccccc1[*:1]
CCCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1=O CCC[*:1] O=C1CCCN1c1ccccc1NC(=O)N(Cc1ccccc1)[*:1]
CCCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1=O c1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)Nc1ccccc1N1CCCC1=O
CCC(CC)[NH+](Cc1ccc(N)cc1Cl)CC(C)C CC(C)C[*:1] CCC(CC)[NH+](Cc1ccc(N)cc1Cl)[*:1]
CCC(CC)[NH+](Cc1ccc(N)cc1Cl)CC(C)C CC(C)[*:1] CCC(CC)[NH+](Cc1ccc(N)cc1Cl)C[*:1]
CCC(CC)[NH+](Cc1ccc(N)cc1Cl)CC(C)C CCC(CC)[*:1] CC(C)C[NH+](Cc1ccc(N)cc1Cl)[*:1]
O[C@H]1Cc2ccccc2[C@H]1n1cc[nH+]c1-c1ccccc1Cn1cccn1 c1cnn(c1)C[*:1] O[C@H]1Cc2ccccc2[C@H]1n1cc[nH+]c1-c1ccccc1[*:1]
O[C@H]1Cc2ccccc2[C@H]1n1cc[nH+]c1-c1ccccc1Cn1cccn1 c1cnn(c1)[*:1] O[C@H]1Cc2ccccc2[C@H]1n1cc[nH+]c1-c1ccccc1C[*:1]
CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2CCC(=O)N2)cc1 CC(C)S[*:1] C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(cc1)[*:1]
CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2CCC(=O)N2)cc1 O=C1CC[C@@H](N1)[*:1] CC(C)Sc1ccc(cc1)[C@@H](C)NC(=O)[*:1]
CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2CCC(=O)N2)cc1 CC(C)[*:1] C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(cc1)S[*:1]
Nc1cccc2c1CCN(CC(F)(F)F)C2 FC(F)(F)[*:1] Nc1cccc2CN(CCc12)C[*:1]
Nc1cccc2c1CCN(CC(F)(F)F)C2 FC(F)(F)C[*:1] Nc1cccc2CN(CCc12)[*:1]
COc1ccc(-n2ccnc2SCC(=O)Nc2ncc(C)s2)cc1 COc1ccc(cc1)[*:1] Cc1cnc(NC(=O)CSc2nccn2[*:1])s1
COc1ccc(-n2ccnc2SCC(=O)Nc2ncc(C)s2)cc1 Cc1cnc(s1)[*:1] COc1ccc(cc1)-n1ccnc1SCC(=O)N[*:1]
COc1ccc(CC(=O)NCc2ccccc2Cn2cccn2)cc1 c1cnn(c1)[*:1] COc1ccc(cc1)CC(=O)NCc1ccccc1C[*:1]
COc1ccc(CC(=O)NCc2ccccc2Cn2cccn2)cc1 c1cnn(c1)C[*:1] COc1ccc(cc1)CC(=O)NCc1ccccc1[*:1]
COc1ccc(CC(=O)NCc2ccccc2Cn2cccn2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])NCc1ccccc1Cn1cccn1
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCc1cccc2cccnc12 O=S(=O)(NC1CC1)[*:1] Cc1ccc(cc1C(=O)OCc1cccc2cccnc12)[*:1]
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCc1cccc2cccnc12 C1CC1[*:1] Cc1ccc(cc1C(=O)OCc1cccc2cccnc12)S(=O)(=O)N[*:1]
CCC(CC)CN(CC)C(=O)c1cccc(I)c1 CCC(CC)[*:1] CCN(C[*:1])C(=O)c1cccc(I)c1
CCC(CC)CN(CC)C(=O)c1cccc(I)c1 CCC(CC)C[*:1] CCN(C(=O)c1cccc(I)c1)[*:1]
Cc1nc(N[C@H](c2ccccc2)c2[nH+]ccn2C)c2c(C)noc2n1 c1ccc(cc1)[*:1] Cc1nc(N[C@H](c2[nH+]ccn2C)[*:1])c2c(C)noc2n1
O=C1CCc2cc(OC(=O)c3ccc(C(F)(F)F)nc3)ccc2N1 FC(F)(F)[*:1] O=C1CCc2cc(ccc2N1)OC(=O)c1ccc(nc1)[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)c1 c1coc(c1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)c1 Cc1ccc(C)c(c1)[*:1] O=C(c1ccco1)N1CCc2ccc(cc21)NS(=O)(=O)[*:1]
CC1CCN(C(=O)[C@H](C)Sc2nnc(C[NH+]3CCCCC3)n2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC1CCN(CC1)C(=O)[C@H](C)Sc1nnc(C[NH+]2CCCCC2)n1[*:1]
CC1CCN(C(=O)[C@H](C)Sc2nnc(C[NH+]3CCCCC3)n2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)[C@H](C)Sc1nnc(C[NH+]2CCCCC2)n1C[*:1]
CC1CCN(C(=O)[C@H](C)Sc2nnc(C[NH+]3CCCCC3)n2Cc2ccccc2)CC1 CC1CCN(CC1)C(=O)[*:1] C[C@H](Sc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1)[*:1]
O=C(NCc1ccc([C@@H](O)c2cccs2)s1)C(=O)Nc1ccccc1F c1csc(c1)[*:1] O=C(NCc1ccc(s1)[C@@H](O)[*:1])C(=O)Nc1ccccc1F
O=C(NCc1ccc([C@@H](O)c2cccs2)s1)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(NCc1ccc(s1)[C@@H](O)c1cccs1)C(=O)N[*:1]
CN(C)c1cc(C(=O)Nc2ccc([S@](C)=O)cc2)ccn1 CN(C)[*:1] C[S@](=O)c1ccc(cc1)NC(=O)c1ccnc(c1)[*:1]
CN(C)c1cc(C(=O)Nc2ccc([S@](C)=O)cc2)ccn1 C[S@](=O)[*:1] CN(C)c1cc(ccn1)C(=O)Nc1ccc(cc1)[*:1]
COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 COCCC[*:1] CN1C(=O)CC[C@@H](C(=O)N[*:1])[C@@H]1c1cccc(F)c1
COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1[*:1]
COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 COC[*:1] CN1C(=O)CC[C@@H](C(=O)NCC[*:1])[C@@H]1c1cccc(F)c1
COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccc(F)c1 COCC[*:1] CN1C(=O)CC[C@@H](C(=O)NC[*:1])[C@@H]1c1cccc(F)c1
CCCn1c(C[C@H](O)COCC)nc2ccccc21 CCO[*:1] CCCn1c(C[C@H](O)C[*:1])nc2ccccc21
CCCn1c(C[C@H](O)COCC)nc2ccccc21 CCC[*:1] CCOC[C@@H](O)Cc1nc2ccccc2n1[*:1]
CCCn1c(C[C@H](O)COCC)nc2ccccc21 CCOC[C@@H](O)[*:1] CCCn1c(C[*:1])nc2ccccc21
CCCn1c(C[C@H](O)COCC)nc2ccccc21 CCOC[*:1] CCCn1c(C[C@H](O)[*:1])nc2ccccc21
CCN1C(=O)C[C@@H](C(=O)OC)C12CCN(C(=O)C[C@H]1C(=O)Nc3ccc(C)cc31)CC2 COC(=O)[*:1] CCN1C(=O)C[C@@H](C12CCN(CC2)C(=O)C[C@H]1C(=O)Nc2ccc(C)cc21)[*:1]
CCn1c(SCN2C(=O)c3ccccc3C2=O)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])SCN1C(=O)c2ccccc2C1=O
NC(=O)[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 NC(=O)[*:1] Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](c1ccccc1)[*:1]
NC(=O)[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)[*:1]
CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)Nc1ccc(Br)cc1C)CS2 Cc1cc(Br)ccc1[*:1] CCc1c(C)nc2SC[C@@H](Cn2c1=O)C(=O)N[*:1]
CCc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)CC2=O)cc1 CCc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)CC2=O)cc1 COc1ccccc1[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
C[NH+](C)C(C)(C)CNC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)C[*:1] C[NH+](C)C(C)(C)CNC(=O)N1CCN(CC1)C(=O)C[*:1]
C[NH+](C)C(C)(C)CNC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)CC[*:1] C[NH+](C)C(C)(C)CNC(=O)N1CCN(CC1)C(=O)[*:1]
C[NH+](C)C(C)(C)CNC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)[*:1] C[NH+](C)C(C)(C)CNC(=O)N1CCN(CC1)C(=O)CC[*:1]
Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)o1 Cc1ccc(o1)[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCC[C@H]1[NH2+]C[*:1]
COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(C(F)(F)F)c1 Fc1ccc(cc1)[*:1] COc1cc(=O)n(nc1C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COc1cc(=O)n(nc1C(=O)Nc1cccc(c1)[*:1])-c1ccc(F)cc1
O=C(Cc1c(F)cccc1F)NC[C@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] O=C(Cc1c(F)cccc1F)NC[C@H]1CC[C@H](O1)[*:1]
COc1nc(NCCC(C)C)ccc1N CC(C)[*:1] COc1nc(ccc1N)NCC[*:1]
COc1nc(NCCC(C)C)ccc1N CC(C)CC[*:1] COc1nc(ccc1N)N[*:1]
COc1nc(NCCC(C)C)ccc1N CC(C)C[*:1] COc1nc(ccc1N)NC[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(N2CCOC2=O)cc1 CC(C)[*:1] C[C@@H]1CC[C@H]([C@@H](C1)NC(=O)c1ccc(cc1)N1CCOC1=O)[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(cc1)[*:1]
CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@@H](C)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC[C@@H]1CN(CC[C@@H]1N[C@@H](C)[*:1])S(C)(=O)=O
Cc1ccc(-n2c(C)nc3nc(N4CCC(C)CC4)[nH]c(=O)c3c2=S)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nc2nc([nH]c(=O)c2c(=S)n1[*:1])N1CCC(C)CC1
Cc1ccc(-n2c(C)nc3nc(N4CCC(C)CC4)[nH]c(=O)c3c2=S)c(C)c1 CC1CCN(CC1)[*:1] Cc1ccc(c(C)c1)-n1c(C)nc2nc([nH]c(=O)c2c1=S)[*:1]
O=C(Cn1ccccc1=O)Nc1ccc(Br)c2ccccc12 O=c1ccccn1[*:1] O=C(C[*:1])Nc1ccc(Br)c2ccccc12
CCO[C@H]1C[C@H]1C(=O)N1CCc2c(sc(N)c2C#N)C1 CCO[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)[C@@H]1C[C@@H]1[*:1]
CCOc1ccc(/C=N\N2[C@@H](C)CCC[C@@H]2C)cc1OC CCO[*:1] COc1cc(/C=N\N2[C@@H](C)CCC[C@@H]2C)ccc1[*:1]
COCCCn1c(C(=O)Nc2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 COC[*:1] Cc1ccc(cc1)NC(=O)c1cc2c(=O)n3ccccc3nc2n1CC[*:1]
COCCCn1c(C(=O)Nc2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 Cc1ccc(cc1)[*:1] COCCCn1c(cc2c(=O)n3ccccc3nc21)C(=O)N[*:1]
COCCCn1c(C(=O)Nc2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 COCCC[*:1] Cc1ccc(cc1)NC(=O)c1cc2c(=O)n3ccccc3nc2n1[*:1]
COCCCn1c(C(=O)Nc2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 COCC[*:1] Cc1ccc(cc1)NC(=O)c1cc2c(=O)n3ccccc3nc2n1C[*:1]
CC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)c1 CC(=O)c1cccc(c1)[*:1] CC(C)(C)C(=O)N1CCc2ccc(cc21)NS(=O)(=O)[*:1]
CC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)c1 CC(=O)[*:1] CC(C)(C)C(=O)N1CCc2ccc(cc21)NS(=O)(=O)c1cccc(c1)[*:1]
CC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)c1 CC(C)(C)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
COCCNC(=O)CNc1cnc2ccccn2c1=O COCC[*:1] O=C(CNc1cnc2ccccn2c1=O)N[*:1]
COCCNC(=O)CNc1cnc2ccccn2c1=O COC[*:1] O=C(CNc1cnc2ccccn2c1=O)NC[*:1]
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)cc2)c1C C1CC(CCO1)[*:1] Cc1noc([N-]S(=O)(=O)c2ccc(cc2)NC(=O)[C@@H]2CC(=O)N(C2)[*:1])c1C
CCCC[C@@H](C)[NH2+]Cc1ccc(C(=O)[O-])cn1 O=C([O-])[*:1] CCCC[C@@H](C)[NH2+]Cc1ccc(cn1)[*:1]
CCCC[C@@H](C)[NH2+]Cc1ccc(C(=O)[O-])cn1 CCCC[*:1] C[C@@H]([NH2+]Cc1ccc(cn1)C(=O)[O-])[*:1]
CCCC[C@@H](C)[NH2+]Cc1ccc(C(=O)[O-])cn1 CCC[*:1] C[C@H](C[*:1])[NH2+]Cc1ccc(cn1)C(=O)[O-]
C[C@@H]1CC(=O)Nc2c1c(NC(=O)c1ccc(Cl)cc1)nn2C Clc1ccc(cc1)[*:1] C[C@@H]1CC(=O)Nc2c1c(nn2C)NC(=O)[*:1]
CC(C)(C)OC(=O)N(CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1CC1 CC(C)(C)[*:1] O=C(NCCN(C(=O)O[*:1])C1CC1)N1CCC[C@@H](C1)[NH+]1CCCC1
CC(C)(C)OC(=O)N(CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1CC1 C1CC1[*:1] CC(C)(C)OC(=O)N(CCNC(=O)N1CCC[C@@H](C1)[NH+]1CCCC1)[*:1]
CC[C@@H](C)[C@@H](C)N(C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 C1CC1[*:1] CC[C@@H](C)[C@@H](C)N(C(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
CC[C@@H](C)[C@@H](C)N(C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 CC[C@@H](C)[*:1] C[C@@H](N(C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1)[*:1]
CC[C@@H](C)[C@@H](C)N(C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 CC[C@@H](C)[C@@H](C)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N(C1CC1)[*:1]
COc1cccc([C@H](CNCc2ccccc2Br)N2CCCC2)c1 C1CCN(C1)[*:1] COc1cccc(c1)[C@H](CNCc1ccccc1Br)[*:1]
COc1cccc([C@H](CNCc2ccccc2Br)N2CCCC2)c1 COc1cccc(c1)[*:1] Brc1ccccc1CNC[C@H](N1CCCC1)[*:1]
COc1cccc([C@H](CNCc2ccccc2Br)N2CCCC2)c1 Brc1ccccc1[*:1] COc1cccc(c1)[C@H](CNC[*:1])N1CCCC1
COc1cccc([C@H](CNCc2ccccc2Br)N2CCCC2)c1 Brc1ccccc1C[*:1] COc1cccc(c1)[C@H](CN[*:1])N1CCCC1
COc1cccc(CS(=O)(=O)[C@H]2[C@H](O)CC[C@]3(C)[C@H](OC(C)=O)CC[C@@]23C)c1 COc1cccc(c1)C[*:1] CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]([C@H](O)CC[C@]12C)S(=O)(=O)[*:1]
COc1cccc(CS(=O)(=O)[C@H]2[C@H](O)CC[C@]3(C)[C@H](OC(C)=O)CC[C@@]23C)c1 CC(=O)O[*:1] COc1cccc(c1)CS(=O)(=O)[C@H]1[C@H](O)CC[C@]2(C)[C@H](CC[C@@]12C)[*:1]
COc1cccc(CS(=O)(=O)[C@H]2[C@H](O)CC[C@]3(C)[C@H](OC(C)=O)CC[C@@]23C)c1 COc1cccc(c1)[*:1] CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]([C@H](O)CC[C@]12C)S(=O)(=O)C[*:1]
CCN(C(=O)NC1CCC(C)(C)CC1)[C@@H](C)c1cccnc1 c1cncc(c1)[*:1] CCN(C(=O)NC1CCC(C)(C)CC1)[C@@H](C)[*:1]
Cc1ccc(-c2nc(CCNC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)co2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(co1)CCNC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(-c2nc(CCNC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)co2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1coc(n1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
CCCC[C@@H]1CCC[C@H]1NC(=O)NCCNC(C)=O CCCC[*:1] CC(=O)NCCNC(=O)N[C@@H]1CCC[C@H]1[*:1]
CCCC[C@@H]1CCC[C@H]1NC(=O)NCCNC(C)=O CC(=O)N[*:1] CCCC[C@@H]1CCC[C@H]1NC(=O)NCC[*:1]
CCCC[C@@H]1CCC[C@H]1NC(=O)NCCNC(C)=O CC(=O)NCC[*:1] CCCC[C@@H]1CCC[C@H]1NC(=O)N[*:1]
CCCC[C@@H]1CCC[C@H]1NC(=O)NCCNC(C)=O CC(=O)NC[*:1] CCCC[C@@H]1CCC[C@H]1NC(=O)NC[*:1]
CCCC[C@@H]1CCC[C@H]1NC(=O)NCCNC(C)=O CCC[*:1] CC(=O)NCCNC(=O)N[C@@H]1CCC[C@H]1C[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N[C@@H](c2ccccn2)C(C)C)c1 CNC(=O)[*:1] COc1ccc(cc1NC(=O)N[C@@H](c1ccccn1)C(C)C)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N[C@@H](c2ccccn2)C(C)C)c1 c1ccc(nc1)[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N[C@@H](C(C)C)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N[C@@H](c2ccccn2)C(C)C)c1 CC(C)[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N[C@@H](c1ccccn1)[*:1]
Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Cl)cc3C)CC2=O)cc1 Cc1cc(Cl)ccc1[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)N[*:1]
Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Cl)cc3C)CC2=O)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(Cl)ccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Cl)cc3C)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(Cl)ccc1NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
COc1ccc(NC(=O)c2nc3c(=O)n(Cc4ccccc4Cl)c4cc(C)ccc4n3n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc2c(c1)n(Cc1ccccc1Cl)c(=O)c1nc(nn12)C(=O)N[*:1]
COc1ccc(NC(=O)c2nc3c(=O)n(Cc4ccccc4Cl)c4cc(C)ccc4n3n2)cc1 COc1ccc(cc1)NC(=O)[*:1] Cc1ccc2c(c1)n(Cc1ccccc1Cl)c(=O)c1nc(nn12)[*:1]
COc1ccc(NC(=O)c2nc3c(=O)n(Cc4ccccc4Cl)c4cc(C)ccc4n3n2)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)NC(=O)c1nc2c(=O)n(c3cc(C)ccc3n2n1)[*:1]
COc1ccc(NC(=O)c2nc3c(=O)n(Cc4ccccc4Cl)c4cc(C)ccc4n3n2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)NC(=O)c1nc2c(=O)n(C[*:1])c3cc(C)ccc3n2n1
O=C(CC[C@@H]1CCCO1)CCC(F)(F)F C1CO[C@@H](C1)[*:1] O=C(CCC(F)(F)F)CC[*:1]
O=C(CC[C@@H]1CCCO1)CCC(F)(F)F FC(F)(F)[*:1] O=C(CC[C@@H]1CCCO1)CC[*:1]
O=C(CC[C@@H]1CCCO1)CCC(F)(F)F FC(F)(F)C[*:1] O=C(CC[C@@H]1CCCO1)C[*:1]
C#CCN(CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN([C@@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 C[C@@H]1CCCC[C@@H]1[*:1] C#CCN(CC(=O)N(C)[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(CC(=O)N(C)[C@H]1CCCC[C@H]1C)[*:1]
Cc1ccn2/c(=N/C(=O)Cc3ccccc3OC(C)C)[nH]nc2c1 CC(C)[*:1] Cc1ccn2/c(=N/C(=O)Cc3ccccc3O[*:1])[nH]nc2c1
Cc1ccn2/c(=N/C(=O)Cc3ccccc3OC(C)C)[nH]nc2c1 CC(C)O[*:1] Cc1ccn2/c(=N/C(=O)Cc3ccccc3[*:1])[nH]nc2c1
CS(=O)(=O)c1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 CS(=O)(=O)[*:1] O=C(c1ccccc1[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
CS(=O)(=O)c1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccccc1C(=O)N1CCc2ccc(cc2C1)[*:1]
O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2ccccc21)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)n(Cc2nc(no2)[*:1])c(=O)c2ccccc21)NCc1ccccc1
O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2ccccc21)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] O=c1c2ccccc2n(C[*:1])c(=O)n1Cc1nc(no1)-c1ccccc1
O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2ccccc21)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cn1c(=O)n(Cc2nc(no2)-c2ccccc2)c(=O)c2ccccc21)N[*:1]
O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2ccccc21)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)n(Cc2nc(no2)-c2ccccc2)c(=O)c2ccccc21)NC[*:1]
O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2ccccc21)NCc1ccccc1 c1ccc(cc1)-c1noc(n1)[*:1] O=C(Cn1c(=O)n(C[*:1])c(=O)c2ccccc21)NCc1ccccc1
O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2ccccc21)NCc1ccccc1 O=C(C[*:1])NCc1ccccc1 O=c1c2ccccc2n(c(=O)n1Cc1nc(no1)-c1ccccc1)[*:1]
O=C1C[C@@H](C(=O)N2CCC3(CCO3)CC2)CN1Cc1ccccn1 c1ccc(C[*:1])nc1 O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC2(CCO2)CC1
O=C1C[C@@H](C(=O)N2CCC3(CCO3)CC2)CN1Cc1ccccn1 c1ccc(nc1)[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCC2(CCO2)CC1
C#CCN1CCN(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 N#Cc1c(F)cccc1[*:1] C#CCN1CCN(CC1)CC(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 C#CCN1CCN(CC1)[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C(=O)C[*:1]
C#CCN1CCN(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 C#CC[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C(=O)CN1CCN(CC1)[*:1]
COCCn1c(SCC(=O)C2=c3ccccc3=[NH+]C2)nc2ccccc21 COC[*:1] O=C(CSc1nc2ccccc2n1C[*:1])C1C[NH+]=c2ccccc2=1
COCCn1c(SCC(=O)C2=c3ccccc3=[NH+]C2)nc2ccccc21 COCC[*:1] O=C(CSc1nc2ccccc2n1[*:1])C1C[NH+]=c2ccccc2=1
C#CCOc1cc(F)ccc1NC(=O)N1CCCC1 C#CC[*:1] O=C(Nc1ccc(F)cc1O[*:1])N1CCCC1
C#CCOc1cc(F)ccc1NC(=O)N1CCCC1 C#CCO[*:1] O=C(Nc1ccc(F)cc1[*:1])N1CCCC1
COC(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 O=C1CCCN1C[*:1] COC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)CN1CCCC1=O
COC(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 O=C1CCCN1[*:1] COC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)C[*:1]
O=C(Nc1ccccc1)N[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1 c1ccc(cc1)[*:1] O=C(N[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C1)N[*:1]
O=c1c2cccnc2ncn1Cc1ccc(OC(F)F)cc1 FC(F)[*:1] O=c1c2cccnc2ncn1Cc1ccc(cc1)O[*:1]
O=c1c2cccnc2ncn1Cc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=c1c2cccnc2ncn1Cc1ccc(cc1)[*:1]
CCNC(=O)COc1ccc(NC(=O)c2cccc3ncccc23)cc1 CCNC(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc2ncccc12
CCNC(=O)COc1ccc(NC(=O)c2cccc3ncccc23)cc1 CCNC(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1cccc2ncccc12
CCNC(=O)COc1ccc(NC(=O)c2cccc3ncccc23)cc1 CCNC(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cccc2ncccc12
C=CCCCN(C)S(=O)(=O)c1ccc(F)cc1F C=CC[*:1] CN(CC[*:1])S(=O)(=O)c1ccc(F)cc1F
C=CCCCN(C)S(=O)(=O)c1ccc(F)cc1F C=CCCC[*:1] CN(S(=O)(=O)c1ccc(F)cc1F)[*:1]
C=CCCCN(C)S(=O)(=O)c1ccc(F)cc1F C=CCC[*:1] CN(C[*:1])S(=O)(=O)c1ccc(F)cc1F
CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)c1 CC(=O)N[*:1] C[C@@H](OC(=O)c1cccc(c1)[*:1])C(=O)N1CCc2ccccc21
O=C(c1ccc(-c2c(Cl)cccc2Cl)o1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O Clc1cccc(Cl)c1[*:1] O=C(c1ccc(o1)[*:1])N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
COc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)[*:1]
COc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C([C@H](NS(=O)(=O)[*:1])c1ccccc1)N1CC[C@@]2(O)CCCC[C@@H]2C1
O=C(CSCC(=O)N1CCOCC1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CSCC(=O)N1CCOCC1)NC[*:1]
Cc1ccccc1C[NH+]1CCN(CC(=O)NC(C)(C)C)CC1 CC(C)(C)NC(=O)[*:1] Cc1ccccc1C[NH+]1CCN(CC1)C[*:1]
Cc1ccccc1C[NH+]1CCN(CC(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1ccccc1C[NH+]1CCN(CC1)CC(=O)N[*:1]
Cc1ccccc1C[NH+]1CCN(CC(=O)NC(C)(C)C)CC1 Cc1ccccc1[*:1] CC(C)(C)NC(=O)CN1CC[NH+](CC1)C[*:1]
CC(C)(C)NC(=O)CNC(=O)Nc1cc(Cl)ccc1F CC(C)(C)[*:1] O=C(CNC(=O)Nc1cc(Cl)ccc1F)N[*:1]
CCc1noc(CC)c1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1noc(CC)c1CNC(=O)c1cc(ccc1[*:1])SC
CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H]1CCCC[C@@H]1[NH+](C)C CC(C)[*:1] C[C@H]([NH3+])C(=O)N([C@@H]1CCCC[C@@H]1[NH+](C)C)[*:1]
COc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)c(OC)c1OC Cc1ccc(cc1)[*:1] COc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)[*:1])c(OC)c1OC
C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(-c2cscn2)cc1 CS(=O)(=O)C[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)-c1cscn1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(cc1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(-c2cscn2)cc1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccc(cc1)-c1cscn1
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)/N=c3\sc4cc([N+](=O)[O-])ccc4n3C)C2)cc1 COc1ccc(cc1)[*:1] Cn1/c(=N/C(=O)[C@@H]2CCCN(C2)S(=O)(=O)[*:1])sc2cc(ccc21)[N+](=O)[O-]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)/N=c3\sc4cc([N+](=O)[O-])ccc4n3C)C2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)/N=c1\sc2cc(ccc2n1C)[*:1]
O=C(C1CC1)N1CCC(C(=O)N2CCN(c3ncccc3F)CC2)CC1 C1CC1[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCN(CC1)c1ncccc1F
O=C(C1CC1)N1CCC(C(=O)N2CCN(c3ncccc3F)CC2)CC1 Fc1cccnc1[*:1] O=C(C1CC1)N1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(OC2CCC2)cc1Cl C1CC(C1)O[*:1] O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(cc1Cl)[*:1]
O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(OC2CCC2)cc1Cl C1CC(C1)[*:1] O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(cc1Cl)O[*:1]
CC(C)C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)[*:1] O=C(NCc1ccc(Cl)cc1)[C@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CC(C)C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)C[*:1] O=C(NCc1ccc(Cl)cc1)[C@@H](N1C(=O)[C@H]2CC=CC[C@H]2C1=O)[*:1]
CC(C)C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O Clc1ccc(cc1)C[*:1] CC(C)C[C@@H](C(=O)N[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CC(C)C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O Clc1ccc(cc1)[*:1] CC(C)C[C@@H](C(=O)NC[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CCN1C(=O)c2ccccc2N[C@H]1c1cn(C)nc1C(C)(C)C CC(C)(C)[*:1] CCN1C(=O)c2ccccc2N[C@H]1c1cn(C)nc1[*:1]
CCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCCCC1 CCC[*:1] Cc1cc(O[*:1])c(cc1C)S(=O)(=O)N1CCCCC1
CCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCCCC1 CCCO[*:1] Cc1cc(c(cc1C)[*:1])S(=O)(=O)N1CCCCC1
COc1ccccc1[C@@H](Nc1ccc(Cl)cn1)c1ccccn1 Clc1ccc(nc1)[*:1] COc1ccccc1[C@@H](N[*:1])c1ccccn1
COc1ccccc1[C@@H](Nc1ccc(Cl)cn1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](Nc1ccc(Cl)cn1)[*:1]
CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(c3nc4ccccc4o3)C2)CC1 c1ccc2oc(nc2c1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)[C@H]1CCCN(C1)[*:1]
CCS(=O)(=O)[C@H]1CSCCN1CCCCCS SCCCC[*:1] CCS(=O)(=O)[C@H]1CSCCN1C[*:1]
CCS(=O)(=O)[C@H]1CSCCN1CCCCCS CCS(=O)(=O)[*:1] SCCCCCN1CCSC[C@@H]1[*:1]
CCS(=O)(=O)[C@H]1CSCCN1CCCCCS SCCC[*:1] CCS(=O)(=O)[C@H]1CSCCN1CC[*:1]
CCS(=O)(=O)[C@H]1CSCCN1CCCCCS SCC[*:1] CCS(=O)(=O)[C@H]1CSCCN1CCC[*:1]
CCC[NH2+][C@H]1CC(C)(C)c2cc3c(cc21)OC[C@@H](C)CO3 CCC[*:1] C[C@@H]1COc2cc3c(cc2OC1)C(C)(C)C[C@@H]3[NH2+][*:1]
CC(C)(C)NC(=O)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 CC(C)(C)[*:1] O=C(N[*:1])[C@@H]1CC(=NO1)c1ccc(Cl)cc1
CCNS(=O)(=O)[C@@H]1CCN(c2cc(N3CCCCC3)ncn2)C1 CCNS(=O)(=O)[*:1] c1nc(cc(n1)N1CC[C@H](C1)[*:1])N1CCCCC1
CCNS(=O)(=O)[C@@H]1CCN(c2cc(N3CCCCC3)ncn2)C1 C1CCN(CC1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)c1cc(ncn1)[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC[C@@H](C2)C(=O)NC[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c1C1CC1 CC[C@@H](C)[*:1] O=C(NCC1CC1)[C@H]1CCCN(C1)C(=O)c1cnn(c1C1CC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c1C1CC1 C1CC1C[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC[C@@H](C2)C(=O)N[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC[C@@H](C2)C(=O)NCC2CC2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c1C1CC1 O=C(NCC1CC1)[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](C2)[*:1])c1C1CC1
COCCN(C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COCCN(C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 COC[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COCCN(C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] COCCN(C(=O)c1cc2C[C@@H](CCc2s1)C(C)(C)C)[*:1]
COCCN(C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 CC(C)(C)[*:1] COCCN(C(=O)c1cc2C[C@H](CCc2s1)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(C#Cc1ccccc1)NCCCN1C(=O)COc2ccccc21 c1ccc(cc1)[*:1] O=C(C#C[*:1])NCCCN1C(=O)COc2ccccc21
O=C(C#Cc1ccccc1)NCCCN1C(=O)COc2ccccc21 C(#C[*:1])c1ccccc1 O=C1COc2ccccc2N1CCCNC(=O)[*:1]
Cc1occc1C(=O)NC1CC[NH+](CC(C)(C)C)CC1 Cc1occc1[*:1] CC(C)(C)C[NH+]1CCC(CC1)NC(=O)[*:1]
Cc1occc1C(=O)NC1CC[NH+](CC(C)(C)C)CC1 CC(C)(C)C[*:1] Cc1occc1C(=O)NC1CC[NH+](CC1)[*:1]
Cc1occc1C(=O)NC1CC[NH+](CC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1occc1C(=O)NC1CC[NH+](CC1)C[*:1]
NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc(C(F)(F)F)cn2)CC1 NC(=O)[*:1] FC(F)(F)c1ccc(nc1)N1CCC(CC1)([NH+]1CCCCC1)[*:1]
NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] NC(=O)C1(CCN(CC1)c1ccc(cn1)[*:1])[NH+]1CCCCC1
O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccc(F)cc1O c1csc(n1)[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1ccc(F)cc1O
COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccn23)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C(=O)c1c(N)c(C(=O)Nc2cccc(c2)[*:1])c2ccccn12
COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccn23)cc1 COc1ccc(cc1)C(=O)[*:1] Nc1c(C(=O)Nc2cccc(c2)C(F)(F)F)c2ccccn2c1[*:1]
COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccn23)cc1 COc1ccc(cc1)[*:1] Nc1c(C(=O)Nc2cccc(c2)C(F)(F)F)c2ccccn2c1C(=O)[*:1]
COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccn23)cc1 FC(F)(F)c1cccc(c1)[*:1] COc1ccc(cc1)C(=O)c1c(N)c(C(=O)N[*:1])c2ccccn12
O=C([C@H]1CCc2cn[nH]c2C1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C([C@H]1CCc2cn[nH]c2C1)N1CCC(CC1)O[*:1]
O=C([C@H]1CCc2cn[nH]c2C1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C([C@H]1CCc2cn[nH]c2C1)N1CCC(CC1)OC[*:1]
CC(C)c1cc(NC(=O)[C@H]2COc3ccc(Br)cc32)[nH]n1 CC(C)[*:1] O=C(Nc1cc(n[nH]1)[*:1])[C@H]1COc2ccc(Br)cc21
COc1ccc(NC(=O)c2c([O-])n(C)c3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] Cn1c([O-])c(C(=O)N[*:1])c(=O)c2ccccc21
C#CCCOc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1 C1CN(CCO1)C[*:1] C#CCCOc1ccc(cc1)CN1CCC[C@@H](C1)[*:1]
C#CCCOc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1 C#CC[*:1] c1cc(ccc1CN1CCC[C@@H](CN2CCOCC2)C1)OC[*:1]
C#CCCOc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1 C#CCC[*:1] c1cc(ccc1CN1CCC[C@@H](CN2CCOCC2)C1)O[*:1]
C#CCCOc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1 C#CCCO[*:1] c1cc(ccc1CN1CCC[C@@H](CN2CCOCC2)C1)[*:1]
C#CCCOc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1 C1CN(CCO1)[*:1] C#CCCOc1ccc(cc1)CN1CCC[C@H](C1)C[*:1]
CCN(C(=O)[C@@H](C)n1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1 Fc1ccc(cc1)[*:1] CCN(C(=O)[C@@H](C)n1nc(ccc1=O)[*:1])c1ccccc1
CCN(C(=O)[C@@H](C)n1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@@H](C)n1nc(ccc1=O)-c1ccc(F)cc1)[*:1]
Cc1cc(F)cc(NC/C=C/c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(F)cc(c1)NCC=C[*:1]
CS/C(=C\[N+](=O)[O-])Nc1ccccc1 O=[N+]([O-])[*:1] CSC(=C[*:1])Nc1ccccc1
Nc1cc(C(=O)[O-])c(-c2ccc(F)cc2O)cn1 O=C([O-])[*:1] Nc1cc(c(cn1)-c1ccc(F)cc1O)[*:1]
Cc1sc(NC(=O)c2ccon2)nc1-c1ccc2c(c1)CCC2 c1cc(no1)[*:1] Cc1sc(nc1-c1ccc2CCCc2c1)NC(=O)[*:1]
Cc1ccc(C)c(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC(C)C)cc5)no4)ncn3n2)c1 CC(C)Oc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)-c1cc2c(=O)n(Cc3nc(no3)[*:1])ncn2n1
Cc1ccc(C)c(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC(C)C)cc5)no4)ncn3n2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)Oc1ccc(cc1)-c1noc(Cn2ncn3nc(cc3c2=O)[*:1])n1
Cc1ccc(C)c(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC(C)C)cc5)no4)ncn3n2)c1 CC(C)O[*:1] Cc1ccc(C)c(c1)-c1cc2c(=O)n(Cc3nc(no3)-c3ccc(cc3)[*:1])ncn2n1
Cc1ccc(C)c(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC(C)C)cc5)no4)ncn3n2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)-c1cc2c(=O)n(Cc3nc(no3)-c3ccc(cc3)O[*:1])ncn2n1
CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N(C)Cc1ccco1)CC2 c1coc(c1)C[*:1] CN(C)C(=O)c1nn(Cc2ccccc2)c2CC[C@@H](Cc12)N(C)[*:1]
CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N(C)Cc1ccco1)CC2 CN(Cc1ccco1)[*:1] CN(C)C(=O)c1nn(Cc2ccccc2)c2CC[C@H](Cc12)[*:1]
CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N(C)Cc1ccco1)CC2 CN(C)C(=O)[*:1] CN(Cc1ccco1)[C@H]1CCc2c(C1)c(nn2Cc1ccccc1)[*:1]
CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N(C)Cc1ccco1)CC2 c1coc(c1)[*:1] CN(C)C(=O)c1nn(Cc2ccccc2)c2CC[C@@H](Cc12)N(C)C[*:1]
CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N(C)Cc1ccco1)CC2 c1ccc(cc1)C[*:1] CN(C)C(=O)c1nn(c2CC[C@@H](Cc12)N(C)Cc1ccco1)[*:1]
CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N(C)Cc1ccco1)CC2 c1ccc(cc1)[*:1] CN(C)C(=O)c1nn(C[*:1])c2CC[C@@H](Cc12)N(C)Cc1ccco1
COc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc4c(cc32)OCCO4)cc1 COc1ccc(cc1)[*:1] c1ccc(cc1)-c1nnc2-c1cn(C[*:1])c1cc3OCCOc3cc21
COc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc4c(cc32)OCCO4)cc1 COc1ccc(cc1)C[*:1] c1ccc(cc1)-c1nnc2-c1cn(c1cc3OCCOc3cc21)[*:1]
COc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc4c(cc32)OCCO4)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)Cn1cc2c(nnc-2c2cc3OCCOc3cc21)[*:1]
Cc1cc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)C(=O)N[C@@H](c1cc2ccccc2o1)[*:1]
Cc1cc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)no1 Cc1cc(no1)[*:1] O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)[*:1]
COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)sc2C)cc1OC O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1OC)CC(=O)Nc1cc(sc1C)[*:1]
Cn1cnnc1-c1ccc(NC(=O)N2CCC(O)(c3cccnc3)CC2)cc1 Cn1cnnc1[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC(O)(CC1)c1cccnc1
Cn1cnnc1-c1ccc(NC(=O)N2CCC(O)(c3cccnc3)CC2)cc1 c1cncc(c1)[*:1] Cn1cnnc1-c1ccc(cc1)NC(=O)N1CCC(O)(CC1)[*:1]
CCN(Cc1ccncc1)[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 c1cc(ccn1)[*:1] CCN(C[*:1])[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2
CCC[C@H](CS)CN1CCS(=O)CC1 CCC[*:1] O=S1CCN(CC1)C[C@@H](CS)[*:1]
CC[C@@H](C)n1ncc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NC[C@H]2CCN(C2)S(C)(=O)=O)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1C1CC1 CC[C@@H](C)[*:1] CS(=O)(=O)N1CC[C@H](CNC(=O)c2cnn(c2C2CC2)[*:1])C1
CCS(=O)(=O)Nc1ccccc1[C@@H]1N=C(CNC(=O)[C@@H]2N=NC3=C2CCCC3)[C@H](C)O1 CCS(=O)(=O)N[*:1] C[C@@H]1O[C@@H](N=C1CNC(=O)[C@@H]1N=NC2CCCCC=21)c1ccccc1[*:1]
CC(=O)N1CCN(Cc2cc(NCCOc3ccc(F)cc3F)cc[nH+]2)CC1 CC(=O)N1CCN(CC1)[*:1] Fc1ccc(OCCNc2cc[nH+]c(c2)C[*:1])c(F)c1
CC(=O)N1CCN(Cc2cc(NCCOc3ccc(F)cc3F)cc[nH+]2)CC1 Fc1ccc(O[*:1])c(F)c1 CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)NCC[*:1]
CC(=O)N1CCN(Cc2cc(NCCOc3ccc(F)cc3F)cc[nH+]2)CC1 Fc1ccc(c(F)c1)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)NCCO[*:1]
Cn1cc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C[NH2+]C2CN(C2)C(=O)O[*:1])c(n1)C(C)(C)C
Cn1cc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C[NH2+]C2CN(C2)C(=O)OC(C)(C)C)c(n1)[*:1]
CC[C@H](C)C(=O)N[C@H]1CCc2cc(N)ccc21 CC[C@H](C)[*:1] Nc1ccc2c(c1)CC[C@@H]2NC(=O)[*:1]
Cc1cccc2c(=O)n(CCCC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)cnc12 O=C(N1CCOCC1)[*:1] Cc1cccc2c(=O)n(cnc12)CCCC(=O)NCc1ccc(cc1)[*:1]
N#Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)NC(=O)c1csc(n1)[*:1]
O=C(Nc1ccc(-c2csnn2)cc1)N(Cc1ccccc1)C[C@H]1CCCO1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)-c1csnn1)N(C[C@H]1CCCO1)[*:1]
O=C(Nc1ccc(-c2csnn2)cc1)N(Cc1ccccc1)C[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1csnn1)N(C[C@H]1CCCO1)C[*:1]
O=C(Nc1ccc(-c2csnn2)cc1)N(Cc1ccccc1)C[C@H]1CCCO1 c1snnc1[*:1] O=C(Nc1ccc(cc1)[*:1])N(Cc1ccccc1)C[C@H]1CCCO1
Cc1nn(-c2ccc(Cl)cc2F)c2ncc3c(c12)C(=O)N(c1ccc(F)c(Cl)c1)C3=O Fc1ccc(cc1Cl)[*:1] Cc1nn(-c2ccc(Cl)cc2F)c2ncc3C(=O)N(C(=O)c3c12)[*:1]
Cc1nn(-c2ccc(Cl)cc2F)c2ncc3c(c12)C(=O)N(c1ccc(F)c(Cl)c1)C3=O Fc1cc(Cl)ccc1[*:1] Cc1nn(c2ncc3C(=O)N(C(=O)c3c12)c1ccc(F)c(Cl)c1)[*:1]
C=CCOC(=O)c1conc1-c1ccc(Cl)cc1 C=CC[*:1] O=C(O[*:1])c1conc1-c1ccc(Cl)cc1
C=CCOC(=O)c1conc1-c1ccc(Cl)cc1 C=CCOC(=O)[*:1] Clc1ccc(cc1)-c1nocc1[*:1]
COC(=O)/C(CC(=O)C(C)(C)C)=N/NC(=O)c1ccncc1 c1cc(ccn1)[*:1] COC(=O)/C(CC(=O)C(C)(C)C)=N/NC(=O)[*:1]
COC(=O)/C(CC(=O)C(C)(C)C)=N/NC(=O)c1ccncc1 CC(C)(C)C(=O)C[*:1] COC(=O)/C(=N/NC(=O)c1ccncc1)[*:1]
COC(=O)/C(CC(=O)C(C)(C)C)=N/NC(=O)c1ccncc1 CC(C)(C)[*:1] COC(=O)/C(CC(=O)[*:1])=N/NC(=O)c1ccncc1
COC(=O)/C(CC(=O)C(C)(C)C)=N/NC(=O)c1ccncc1 CC(C)(C)C(=O)[*:1] COC(=O)/C(C[*:1])=N/NC(=O)c1ccncc1
CC1=NNC(=N)Nc2c1c(=O)n(-c1ccccc1)c1ccccc21 c1ccc(cc1)[*:1] CC1=NNC(=N)Nc2c1c(=O)n(c1ccccc21)[*:1]
CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 Fc1ccc(cc1)C[*:1] CCC[C@@H](NC(=O)N[*:1])C(=O)Nc1ccc(Cl)cc1
CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 CCC[*:1] O=C(NCc1ccc(F)cc1)N[C@@H](C(=O)Nc1ccc(Cl)cc1)[*:1]
CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[*:1]
CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] CCC[C@@H](NC(=O)NC[*:1])C(=O)Nc1ccc(Cl)cc1
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@@H](Cc1ccccc1)NC(=O)N1CC(O)=Nc2ccccc21 c1ccc(cc1)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)[C@@H](C[*:1])NC(=O)N1CC(O)=Nc2ccccc21
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@@H](Cc1ccccc1)NC(=O)N1CC(O)=Nc2ccccc21 c1ccc(cc1)C[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)[*:1]
CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)c(F)c4)ccn23)cc1 CCOc1ccc(cc1)[*:1] O=C(CSc1nnc2c(=O)n(ccn12)-c1ccc(F)c(F)c1)[*:1]
CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)c(F)c4)ccn23)cc1 CCO[*:1] O=C(CSc1nnc2c(=O)n(ccn12)-c1ccc(F)c(F)c1)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)c(F)c4)ccn23)cc1 Fc1ccc(cc1F)[*:1] CCOc1ccc(cc1)C(=O)CSc1nnc2c(=O)n(ccn12)[*:1]
O=C(CCc1ccccc1Cl)Nc1cccn(Cc2ccccc2)c1=O Clc1ccccc1[*:1] O=C(CC[*:1])Nc1cccn(Cc2ccccc2)c1=O
O=C(CCc1ccccc1Cl)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] O=C(CCc1ccccc1Cl)Nc1cccn(c1=O)[*:1]
O=C(CCc1ccccc1Cl)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(CCc1ccccc1Cl)Nc1cccn(C[*:1])c1=O
O=C(CCc1ccccc1Cl)Nc1cccn(Cc2ccccc2)c1=O Clc1ccccc1C[*:1] O=C(C[*:1])Nc1cccn(Cc2ccccc2)c1=O
CC[C@H]1CCCCN1C(=O)NCCNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] CC[C@H]1CCCCN1C(=O)NCCNC(=O)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)cc12 O=[N+]([O-])c1cc(Cl)ccc1[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N1CCN(CC1)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)cc12 c1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)N1CCN(CC1)c1ccc(Cl)cc1[N+](=O)[O-])[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)cc12 O=[N+]([O-])[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N1CCN(CC1)c1ccc(Cl)cc1[*:1]
CCN(CC)C(=O)CSc1nnc(-c2sccc2C)o1 Cc1ccsc1[*:1] CCN(CC)C(=O)CSc1nnc(o1)[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 Fc1ccc(cc1)[*:1] CCC[C@@](C)(CO)NC(=O)N[C@H](C1CCC1)[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 C1CC(C1)[*:1] CCC[C@@](C)(CO)NC(=O)N[C@H](c1ccc(F)cc1)[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 CCC[*:1] C[C@@](CO)(NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1)[*:1]
COc1ccc2nc(C(=O)NNC(=O)c3c[nH]c4ccccc34)ccc2c1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc2nc(ccc2c1)C(=O)NNC(=O)[*:1]
CCCC(=O)Nc1nnc(SC[C@H]2[NH+]=c3cc(C)c(C)cc3=[NH+]C2=O)s1 CCCC(=O)N[*:1] Cc1cc2=[NH+]C(=O)[C@@H](CSc3nnc(s3)[*:1])[NH+]=c2cc1C
CCCC(=O)Nc1nnc(SC[C@H]2[NH+]=c3cc(C)c(C)cc3=[NH+]C2=O)s1 CCC[*:1] Cc1cc2=[NH+]C(=O)[C@@H](CSc3nnc(NC(=O)[*:1])s3)[NH+]=c2cc1C
Cc1cc(C)c(C(=O)CSC[C@H](O)CO)cc1C OC[C@@H](O)[*:1] Cc1cc(C)c(cc1C)C(=O)CSC[*:1]
Cc1cc(C)c(C(=O)CSC[C@H](O)CO)cc1C OC[C@@H](O)CS[*:1] Cc1cc(C)c(cc1C)C(=O)C[*:1]
Cc1cc(C)c(C(=O)CSC[C@H](O)CO)cc1C OC[C@@H](O)C[*:1] Cc1cc(C)c(cc1C)C(=O)CS[*:1]
CCOc1ncccc1C(=O)NCC(C)(C)[NH+]1CCCCC1 CCO[*:1] CC(C)(CNC(=O)c1cccnc1[*:1])[NH+]1CCCCC1
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)sc2c1CCCC2 CNC(=O)[*:1] CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCc2c1[*:1]
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)sc2c1CCCC2 c1ccc(cc1)[*:1] CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C[*:1])sc2CCCCc21
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)sc2c1CCCC2 c1ccc(cc1)C[*:1] CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)[*:1])sc2CCCCc21
CN(C)c1ncc(NC(=O)C(c2ccccc2)c2ccccc2)cn1 c1ccc(cc1)[*:1] CN(C)c1ncc(cn1)NC(=O)C(c1ccccc1)[*:1]
CN(C)c1ncc(NC(=O)C(c2ccccc2)c2ccccc2)cn1 CN(C)[*:1] O=C(Nc1cnc(nc1)[*:1])C(c1ccccc1)c1ccccc1
Cc1n[nH]c(C)c1CCNC(=O)c1coc(CN2CCc3ccccc3C2)n1 Cc1n[nH]c(C)c1[*:1] O=C(NCC[*:1])c1coc(CN2CCc3ccccc3C2)n1
Cc1n[nH]c(C)c1CCNC(=O)c1coc(CN2CCc3ccccc3C2)n1 Cc1n[nH]c(C)c1C[*:1] O=C(NC[*:1])c1coc(CN2CCc3ccccc3C2)n1
Cc1n[nH]c(C)c1CCNC(=O)c1coc(CN2CCc3ccccc3C2)n1 Cc1n[nH]c(C)c1CC[*:1] O=C(N[*:1])c1coc(CN2CCc3ccccc3C2)n1
CC(C)CC[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](O)C1 CC(C)C[*:1] C[C@@H](C[*:1])NC(=O)N1CC[C@H](C)[C@@H](O)C1
CC(C)CC[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](O)C1 CC(C)[*:1] C[C@@H](CC[*:1])NC(=O)N1CC[C@H](C)[C@@H](O)C1
CC(C)CC[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](O)C1 CC(C)CC[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)N[C@@H](C)[*:1]
C[NH2+]C[C@@H](CCC[C@@H]1CCCO1)c1ccc(Cl)cc1 C1CO[C@@H](C1)[*:1] C[NH2+]C[C@@H](CCC[*:1])c1ccc(Cl)cc1
C[NH2+]C[C@@H](CCC[C@@H]1CCCO1)c1ccc(Cl)cc1 C1CO[C@@H](C1)C[*:1] C[NH2+]C[C@@H](CC[*:1])c1ccc(Cl)cc1
CC(C)c1nc(C[S@@](=O)Cc2cc(-c3cccs3)on2)no1 c1csc(c1)[*:1] CC(C)c1nc(C[S@@](=O)Cc2cc(on2)[*:1])no1
CC(C)c1nc(C[S@@](=O)Cc2cc(-c3cccs3)on2)no1 CC(C)[*:1] O=[S@@](Cc1cc(on1)-c1cccs1)Cc1noc(n1)[*:1]
CN(C)c1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2F)cn1 CN(C)[*:1] O=C(NCc1cc(Br)ccc1F)C(=O)Nc1ccc(nc1)[*:1]
CN(C)c1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2F)cn1 Fc1ccc(Br)cc1[*:1] CN(C)c1ccc(cn1)NC(=O)C(=O)NC[*:1]
CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C)s2)C1 CCC[*:1] Cc1ccc(s1)C(=O)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C)s2)C1 Cc1ccc(s1)[*:1] CCCCn1cc[nH+]c1[C@H]1CCCN(C1)C(=O)[*:1]
CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C)s2)C1 CCCC[*:1] Cc1ccc(s1)C(=O)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
COc1cccc(N2C(SCc3c(F)cccc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 Fc1cccc(Cl)c1C[*:1] COc1cccc(c1)N1C(=N[C@@H]2CS(=O)(=O)C[C@@H]21)S[*:1]
COc1cccc(N2C(SCc3c(F)cccc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 COc1cccc(c1)[*:1] O=S1(=O)C[C@H]2N=C(SCc3c(F)cccc3Cl)N([C@H]2C1)[*:1]
COc1cccc(N2C(SCc3c(F)cccc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 Fc1cccc(Cl)c1[*:1] COc1cccc(c1)N1C(=N[C@@H]2CS(=O)(=O)C[C@@H]21)SC[*:1]
CC(C)CC1(C[NH2+][C@H]2CCC[C@@H]2C#N)CCCC1 CC(C)[*:1] N#C[C@H]1CCC[C@@H]1[NH2+]CC1(CCCC1)C[*:1]
CC(C)CC1(C[NH2+][C@H]2CCC[C@@H]2C#N)CCCC1 CC(C)C[*:1] N#C[C@H]1CCC[C@@H]1[NH2+]CC1(CCCC1)[*:1]
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21 Cc1ccc(cc1[*:1])[N+](=O)[O-] Cc1ccc2NC(=O)[C@@]3(c2c1)[C@@H]1C(=O)N(C(=O)[C@@H]1[C@H]1CCCN13)[*:1]
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21 O=[N+]([O-])[*:1] Cc1ccc2NC(=O)[C@@]3(c2c1)[C@@H]1C(=O)N(C(=O)[C@@H]1[C@H]1CCCN13)c1cc(ccc1C)[*:1]
COCCNC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1 Fc1ccccc1[*:1] COCCNC(=O)[C@H]1C[C@H](CN(C1)C(=O)[*:1])c1ccccc1
COCCNC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1 c1ccc(cc1)[*:1] COCCNC(=O)[C@H]1C[C@@H](CN(C1)C(=O)c1ccccc1F)[*:1]
COCCNC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1 COCCNC(=O)[*:1] O=C(c1ccccc1F)N1C[C@@H](C[C@@H](C1)[*:1])c1ccccc1
COCCNC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1 COCC[*:1] O=C(N[*:1])[C@H]1C[C@H](CN(C1)C(=O)c1ccccc1F)c1ccccc1
COCCNC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1 COC[*:1] O=C(NC[*:1])[C@H]1C[C@H](CN(C1)C(=O)c1ccccc1F)c1ccccc1
CC(C)=CCC[C@@H](C)C[C@H]1OCC[C@@H](C)O1 CC(C)=C[*:1] C[C@H](CC[*:1])C[C@H]1OCC[C@@H](C)O1
CC(C)=CCC[C@@H](C)C[C@H]1OCC[C@@H](C)O1 CC(C)=CC[*:1] C[C@@H](C[C@H]1OCC[C@@H](C)O1)C[*:1]
Cc1c(C[NH2+][C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 O=C([O-])[*:1] Cc1c(C[NH2+][C@@H]2CCCc3ccccc32)c(c(C)n1Cc1cccc(Cl)c1)[*:1]
Cc1c(C[NH2+][C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(C[NH2+][C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1C[*:1]
Cc1c(C[NH2+][C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] Cc1c(C[NH2+][C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1[*:1]
O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)C[*:1]
O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)[*:1]
COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@@H](c4cccs4)[C@@H]32)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)[C@@H]1Oc2ccc(Cl)cc2C2=Nc3ncnn3[C@@H]([C@@H]21)[*:1]
COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@@H](c4cccs4)[C@@H]32)cc1OC COc1ccc(cc1OC)[*:1] Clc1ccc2O[C@H]([C@@H]3C(=Nc4ncnn4[C@H]3c3cccs3)c2c1)[*:1]
C[NH2+]C[C@H](C)C(=O)NCC(C)C CC(C)[*:1] C[NH2+]C[C@H](C)C(=O)NC[*:1]
C[NH2+]C[C@H](C)C(=O)NCC(C)C CC(C)C[*:1] C[NH2+]C[C@H](C)C(=O)N[*:1]
O=C(c1ccn(COc2ccc(Br)cc2)n1)N1CCCCCC1 Brc1ccc(cc1)[*:1] O=C(c1ccn(CO[*:1])n1)N1CCCCCC1
Cc1nnc2ccc(Sc3nnnn3C3CCOCC3)nn12 C1CC(CCO1)[*:1] Cc1nnc2ccc(nn12)Sc1nnnn1[*:1]
C[C@H](CNc1cncc(Cl)n1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNc1cncc(Cl)n1)C[*:1]
COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(C)cc2)N1c1ccc(OC)cc1 COC(=O)C[*:1] COc1ccc(cc1)N1C(=CC(=O)[C@]1(O)[*:1])c1ccc(C)cc1
COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(C)cc2)N1c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)N1C(=CC(=O)[C@@]1(O)C[*:1])c1ccc(C)cc1
COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(C)cc2)N1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(C)cc2)N1[*:1]
COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(C)cc2)N1c1ccc(OC)cc1 Cc1ccc(cc1)[*:1] COC(=O)C[C@]1(O)C(=O)C=C(N1c1ccc(cc1)OC)[*:1]
CC(C)[NH+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccc(Cl)c1 CC(C)[*:1] O=C(CC[NH+](Cc1cccc(Cl)c1)[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(C)[NH+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)[NH+](CCC(=O)N1CCN(CC1)c1cccc[nH+]1)C[*:1]
CC(C)[NH+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] CC(C)[NH+](CCC(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
O=C(N[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])O[*:1]
O=C(N[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])OCc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])OC[*:1]
O=C(N[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])OCc1ccccc1 O=C([O-])[*:1] O=C(N[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1])OCc1ccccc1
CCOC(=O)[C@]1(NC)CC[C@H](n2ccc(C)n2)C1 CCOC(=O)[*:1] CN[C@@]1(CC[C@@H](C1)n1ccc(C)n1)[*:1]
CCOC(=O)[C@]1(NC)CC[C@H](n2ccc(C)n2)C1 Cc1ccn(n1)[*:1] CCOC(=O)[C@@]1(CC[C@H](C1)[*:1])NC
Cc1nn(C)cc1[C@H](C)NS(=O)(=O)N(C)C(C)C CC(C)[*:1] Cc1nn(C)cc1[C@H](C)NS(=O)(=O)N(C)[*:1]
Cc1ccc(NC(=O)C(=O)Nc2cc(F)ccc2F)cc1N1CCCC1=O Fc1ccc(F)c(c1)[*:1] Cc1ccc(cc1N1CCCC1=O)NC(=O)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)Nc2cc(F)ccc2F)cc1N1CCCC1=O O=C1CCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)Nc1cc(F)ccc1F
CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)CCCC1=N2 CCS[*:1] O=C1CCCC2=Nc3nc(nn3[C@@H](c3ccc(Cl)cc3)[C@H]12)[*:1]
CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)CCCC1=N2 Clc1ccc(cc1)[*:1] CCSc1nc2N=C3CCCC(=O)[C@H]3[C@H](n2n1)[*:1]
O=C(NC1COC1)[C@H]1CC=CC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(NC1COC1)[C@H]1CC=CC[C@@H]1[*:1]
O=C(NC1COC1)[C@H]1CC=CC[C@H]1C(=O)[O-] C1OCC1[*:1] O=C(N[*:1])[C@H]1CC=CC[C@H]1C(=O)[O-]
O[C@@H](CNc1ccc(Cl)c(Br)c1)c1ccco1 c1coc(c1)[*:1] O[C@@H](CNc1ccc(Cl)c(Br)c1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N(C)CCCOc1ccccc1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)N(C)CCCOc1ccccc1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N(C)CCCOc1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N(C)CCCO[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N(C)CCCOc1ccccc1 c1ccc(cc1)OC[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N(C)CC[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N(C)CCCOc1ccccc1 c1ccc(cc1)O[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N(C)CCC[*:1]
CC(C)[C@@H]1C(=O)NC(=O)C[C@@]12CCc1ccccc1C2 CC(C)[*:1] O=C1C[C@@]2(CCc3ccccc3C2)[C@@H](C(=O)N1)[*:1]
Cc1cc(C(=O)N(C)C[C@H](O)C2CC2)c(C)n1[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] Cc1cc(C(=O)N(C)C[C@H](O)C2CC2)c(C)n1[*:1]
Cc1cc(C(=O)N(C)C[C@H](O)C2CC2)c(C)n1[C@@H](C)c1ccccc1 O[C@H](C1CC1)[*:1] Cc1cc(C(=O)N(C)C[*:1])c(C)n1[C@@H](C)c1ccccc1
Cc1cc(C(=O)N(C)C[C@H](O)C2CC2)c(C)n1[C@@H](C)c1ccccc1 C1CC1[*:1] Cc1cc(C(=O)N(C)C[C@H](O)[*:1])c(C)n1[C@@H](C)c1ccccc1
Cc1cc(C(=O)N(C)C[C@H](O)C2CC2)c(C)n1[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N(C)C[C@H](O)C2CC2)c(C)n1[C@@H](C)[*:1]
CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(CCC[NH+](C)C)C3=O Fc1ccccc1[*:1] CCc1ccc2oc3C(=O)N(CCC[NH+](C)C)[C@H](c3c(=O)c2c1)[*:1]
CCOC(=O)CN(C)C(=O)CCc1cccc(F)c1 CCOC(=O)[*:1] CN(C[*:1])C(=O)CCc1cccc(F)c1
CCOC(=O)CN(C)C(=O)CCc1cccc(F)c1 CCOC(=O)C[*:1] CN(C(=O)CCc1cccc(F)c1)[*:1]
CC1=Nc2nc(NC(=O)CCC(=O)[O-])nn2[C@@H](c2ccc(Cl)cc2)C1 O=C([O-])C[*:1] CC1C[C@H](c2ccc(Cl)cc2)n2nc(nc2N=1)NC(=O)C[*:1]
CC1=Nc2nc(NC(=O)CCC(=O)[O-])nn2[C@@H](c2ccc(Cl)cc2)C1 O=C([O-])[*:1] CC1C[C@H](c2ccc(Cl)cc2)n2nc(nc2N=1)NC(=O)CC[*:1]
CC1=Nc2nc(NC(=O)CCC(=O)[O-])nn2[C@@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC1C[C@H](n2nc(nc2N=1)NC(=O)CCC(=O)[O-])[*:1]
CC1=Nc2nc(NC(=O)CCC(=O)[O-])nn2[C@@H](c2ccc(Cl)cc2)C1 O=C([O-])CC[*:1] CC1C[C@H](c2ccc(Cl)cc2)n2nc(nc2N=1)NC(=O)[*:1]
CC1=Nc2nc(NC(=O)CCC(=O)[O-])nn2[C@@H](c2ccc(Cl)cc2)C1 O=C([O-])CCC(=O)N[*:1] CC1C[C@H](c2ccc(Cl)cc2)n2nc(nc2N=1)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)CNc1cccc(-c2nnnn2C2CC2)c1 C1CC1[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CNc1cccc(c1)-c1nnnn1[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)CNc1cccc(-c2nnnn2C2CC2)c1 C1CC1n1nnnc1[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CNc1cccc(c1)[*:1]
Cc1ccc(C(=O)NNC(=O)NCc2ccc(OC(C)C)c(F)c2)o1 CC(C)O[*:1] Cc1ccc(o1)C(=O)NNC(=O)NCc1ccc(c(F)c1)[*:1]
Cc1ccc(C(=O)NNC(=O)NCc2ccc(OC(C)C)c(F)c2)o1 CC(C)[*:1] Cc1ccc(o1)C(=O)NNC(=O)NCc1ccc(O[*:1])c(F)c1
Cc1ccc(C(=O)NNC(=O)NCc2ccc(OC(C)C)c(F)c2)o1 Cc1ccc(o1)[*:1] CC(C)Oc1ccc(cc1F)CNC(=O)NNC(=O)[*:1]
CCn1c(=O)oc2cc([C@@H](O)C3(C)CCCC3)ccc21 CC1(CCCC1)[*:1] CCn1c(=O)oc2cc(ccc21)[C@@H](O)[*:1]
CCn1nc(C)c2nc([C@@H](C)Cl)n([C@H](C)CCOC)c21 COCC[*:1] CCn1nc(C)c2nc([C@@H](C)Cl)n(c21)[C@H](C)[*:1]
CCn1nc(C)c2nc([C@@H](C)Cl)n([C@H](C)CCOC)c21 COCC[C@@H](C)[*:1] CCn1nc(C)c2nc([C@@H](C)Cl)n(c21)[*:1]
CCn1nc(C)c2nc([C@@H](C)Cl)n([C@H](C)CCOC)c21 COC[*:1] CCn1nc(C)c2nc([C@@H](C)Cl)n(c21)[C@H](C)C[*:1]
CCn1nc(C)c2nc([C@@H](C)Cl)n([C@H](C)CCOC)c21 C[C@@H](Cl)[*:1] CCn1nc(C)c2nc(n(c21)[C@H](C)CCOC)[*:1]
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)COC2 CC(C)(C)[*:1] O=C(NC[C@H]1CCCO[C@H]1[*:1])C(=O)Nc1ccc2COCc2c1
Cc1ccc(Cl)c(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)c1Cl Clc1cc(cnc1Cl)[*:1] Cc1ccc(Cl)c(NC(=O)COC(=O)[*:1])c1Cl
C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H](C)[*:1]
CCCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cc(OC)ccc1OC CCC[*:1] COc1ccc(OC)c(c1)[C@H]1CN(C[C@@H]1C(=O)N[*:1])C(=O)c1cccs1
CCCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cc(OC)ccc1OC CCCNC(=O)[*:1] COc1ccc(OC)c(c1)[C@H]1CN(C[C@@H]1[*:1])C(=O)c1cccs1
CCCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cc(OC)ccc1OC c1csc(c1)[*:1] CCCNC(=O)[C@H]1CN(C[C@@H]1c1cc(ccc1OC)OC)C(=O)[*:1]
CC(=O)N(c1nc(CSc2nccn2Cc2ccccc2)cs1)c1ccccc1F Fc1ccccc1[*:1] CC(=O)N(c1nc(cs1)CSc1nccn1Cc1ccccc1)[*:1]
CC(=O)N(c1nc(CSc2nccn2Cc2ccccc2)cs1)c1ccccc1F c1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)CSc1nccn1C[*:1])c1ccccc1F
CC(=O)N(c1nc(CSc2nccn2Cc2ccccc2)cs1)c1ccccc1F c1ccc(cc1)C[*:1] CC(=O)N(c1nc(cs1)CSc1nccn1[*:1])c1ccccc1F
C[C@@H](NC(=O)N1CCC[C@@H]1COc1ccccc1)c1cccc(C#N)c1 c1ccc(cc1)O[*:1] C[C@@H](NC(=O)N1CCC[C@@H]1C[*:1])c1cccc(C#N)c1
C[C@@H](NC(=O)N1CCC[C@@H]1COc1ccccc1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](NC(=O)N1CCC[C@@H]1COc1ccccc1)[*:1]
C[C@@H](NC(=O)N1CCC[C@@H]1COc1ccccc1)c1cccc(C#N)c1 c1ccc(cc1)OC[*:1] C[C@@H](NC(=O)N1CCC[C@H]1[*:1])c1cccc(C#N)c1
C[C@@H](NC(=O)N1CCC[C@@H]1COc1ccccc1)c1cccc(C#N)c1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCC[C@@H]1CO[*:1])c1cccc(C#N)c1
CCOC(=O)N[C@@H](C(=O)Nc1cc(C(C)C)n[nH]1)C(C)C CCOC(=O)N[*:1] CC(C)c1cc(NC(=O)[C@@H](C(C)C)[*:1])[nH]n1
CCOC(=O)N[C@@H](C(=O)Nc1cc(C(C)C)n[nH]1)C(C)C CC(C)[*:1] CCOC(=O)N[C@@H](C(=O)Nc1cc(n[nH]1)C(C)C)[*:1]
CCOC(=O)N[C@@H](C(=O)Nc1cc(C(C)C)n[nH]1)C(C)C CC(C)[*:1] CCOC(=O)N[C@@H](C(=O)Nc1cc(n[nH]1)[*:1])C(C)C
Cc1c(C(N)=O)sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C(=O)OC(C)C c1cc2OCOc2cc1[*:1] Cc1c(sc(NC(=O)C=C[*:1])c1C(=O)OC(C)C)C(N)=O
Cc1c(C(N)=O)sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C(=O)OC(C)C CC(C)OC(=O)[*:1] Cc1c(sc(NC(=O)/C=C/c2ccc3OCOc3c2)c1[*:1])C(N)=O
Cc1c(C(N)=O)sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C(=O)OC(C)C CC(C)[*:1] Cc1c(sc(NC(=O)/C=C/c2ccc3OCOc3c2)c1C(=O)O[*:1])C(N)=O
Cc1c(C(N)=O)sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C(=O)OC(C)C NC(=O)[*:1] Cc1c(sc(NC(=O)/C=C/c2ccc3OCOc3c2)c1C(=O)OC(C)C)[*:1]
CCc1nn(C)cc1/C([O-])=N/S(=O)(=O)c1cccc2cnccc12 CCc1nn(C)cc1[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1cccc2cnccc12
O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1ccc(CC(=O)NC2CC2)cc1 O=C(C[*:1])NC1CC1 O=C(CCc1cc2C[NH2+]CCn2n1)Nc1ccc(cc1)[*:1]
O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1ccc(CC(=O)NC2CC2)cc1 C1CC1[*:1] O=C(CCc1cc2C[NH2+]CCn2n1)Nc1ccc(cc1)CC(=O)N[*:1]
O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1ccc(CC(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] O=C(CCc1cc2C[NH2+]CCn2n1)Nc1ccc(cc1)C[*:1]
C[C@H]1CCC[C@@](CO)([NH2+]Cc2cncn2C2CC2)C1 C1CC1[*:1] C[C@H]1CCC[C@](CO)(C1)[NH2+]Cc1cncn1[*:1]
CC(C)c1nc(NC(=O)N2CC[C@]3(CCOC3)C2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)N1CC[C@]2(CCOC2)C1)[*:1]
COc1cc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(ccc1O[*:1])[C@H]1S[C@@H](C)C(=O)Nc2[nH]nc(C)c21
COc1cc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(ccc1[*:1])[C@H]1S[C@@H](C)C(=O)Nc2[nH]nc(C)c21
COc1cc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OC[*:1])[C@H]1S[C@@H](C)C(=O)Nc2[nH]nc(C)c21
O=C(Nc1cccc(CNc2nc3ccccc3o2)c1)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1cccc(c1)CNc1nc2ccccc2o1)[*:1]
COc1cccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1 Clc1ccc(cc1)[*:1] COc1cccc(n1)C(=O)N1CCN(CC1)C[*:1]
COc1cccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1 COc1cccc(n1)[*:1] O=C(N1CCN(CC1)Cc1ccc(Cl)cc1)[*:1]
COc1cccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1 Clc1ccc(cc1)C[*:1] COc1cccc(n1)C(=O)N1CCN(CC1)[*:1]
O[C@@H](CN1CCN(c2cc(Cl)ncn2)CC1)c1ccc(Cl)cc1 Clc1cc(ncn1)[*:1] O[C@@H](CN1CCN(CC1)[*:1])c1ccc(Cl)cc1
O[C@@H](CN1CCN(c2cc(Cl)ncn2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O[C@@H](CN1CCN(CC1)c1cc(Cl)ncn1)[*:1]
Cc1nc(-c2ccccc2)sc1CCNC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(sc1CCNC(=O)c1ccccc1)[*:1]
Cc1nc(-c2ccccc2)sc1CCNC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(sc1CCNC(=O)[*:1])-c1ccccc1
Cc1ccc(CN(C)S(=O)(=O)c2cn(C)c(C)n2)s1 Cc1ccc(s1)[*:1] Cc1nc(cn1C)S(=O)(=O)N(C)C[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)C/C=C/c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1ccc2OCOc2c1)C(=O)CC=C[*:1]
Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 Cc1noc(C)c1[*:1] C[C@@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)[*:1]
CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 CC(C)[*:1] O=C(NCc1[nH+]ccn1C[*:1])N[C@H](CO)c1ccc(Cl)c(F)c1
CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](CO)[*:1]
CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 CC(C)C[*:1] O=C(NCc1[nH+]ccn1[*:1])N[C@H](CO)c1ccc(Cl)c(F)c1
NS(=O)(=O)CC1CC[NH+](Cc2ncc(-c3ccccc3Cl)o2)CC1 NS(=O)(=O)[*:1] Clc1ccccc1-c1cnc(C[NH+]2CCC(CC2)C[*:1])o1
NS(=O)(=O)CC1CC[NH+](Cc2ncc(-c3ccccc3Cl)o2)CC1 Clc1ccccc1[*:1] NS(=O)(=O)CC1CC[NH+](CC1)Cc1ncc(o1)[*:1]
NS(=O)(=O)CC1CC[NH+](Cc2ncc(-c3ccccc3Cl)o2)CC1 NS(=O)(=O)C[*:1] Clc1ccccc1-c1cnc(C[NH+]2CCC(CC2)[*:1])o1
Cc1nc(-c2ccc(N3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)[nH+]c2)no1 Cc1ccc(cc1C)[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)N[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)[nH+]c2)no1 Cc1nc(no1)[*:1] Cc1ccc(cc1C)NC(=O)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
N#Cc1cc(F)c(NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)c1 O=S(=O)(N1CCOCC1)[*:1] N#Cc1cc(F)c(NCc2ccc(cc2)[*:1])c(F)c1
CC1(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)Cc2ccccc2C1 FC(F)(F)C[*:1] CC1(CNC(=O)N[C@@H]2CCN(C2=O)[*:1])Cc2ccccc2C1
CC1(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)Cc2ccccc2C1 FC(F)(F)[*:1] CC1(CNC(=O)N[C@@H]2CCN(C[*:1])C2=O)Cc2ccccc2C1
CC(=O)Nc1ccc(Nc2nccc(OCc3ccccc3)n2)cc1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)Nc1nccc(n1)O[*:1]
CC(=O)Nc1ccc(Nc2nccc(OCc3ccccc3)n2)cc1 c1ccc(cc1)CO[*:1] CC(=O)Nc1ccc(cc1)Nc1nccc(n1)[*:1]
CC(=O)Nc1ccc(Nc2nccc(OCc3ccccc3)n2)cc1 CC(=O)N[*:1] c1ccc(cc1)COc1ccnc(n1)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(Nc2nccc(OCc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)Nc1nccc(n1)OC[*:1]
COc1cccc(CO[C@@H](C)C(=O)N2CCc3ccc(O)cc3C2)c1 COc1cccc(c1)[*:1] C[C@H](OC[*:1])C(=O)N1CCc2ccc(O)cc2C1
CC(C)c1cc(C(=O)NC[C@@H]2Cc3cccc(-c4ccncc4)c3O2)[nH]n1 c1cc(ccn1)[*:1] CC(C)c1cc([nH]n1)C(=O)NC[C@@H]1Cc2cccc(c2O1)[*:1]
CC(C)c1cc(C(=O)NC[C@@H]2Cc3cccc(-c4ccncc4)c3O2)[nH]n1 CC(C)[*:1] O=C(NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1)c1cc(n[nH]1)[*:1]
CC(C)c1cc(C(=O)NC[C@@H]2Cc3cccc(-c4ccncc4)c3O2)[nH]n1 CC(C)c1cc([nH]n1)[*:1] O=C(NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1)[*:1]
Cc1cc(C)c2c(N3CCO[C@H](CC(C)C)C3)ncnc2n1 CC(C)[*:1] Cc1cc(C)c2c(ncnc2n1)N1CCO[C@@H](C1)C[*:1]
Cc1cc(C)c2c(N3CCO[C@H](CC(C)C)C3)ncnc2n1 CC(C)C[*:1] Cc1cc(C)c2c(ncnc2n1)N1CCO[C@H](C1)[*:1]
COC(=O)c1cccn1C1CC[NH+](Cc2cccc(-c3cnn(C)c3)c2)CC1 COC(=O)[*:1] Cn1cc(cn1)-c1cccc(c1)C[NH+]1CCC(CC1)n1cccc1[*:1]
COC(=O)c1cccn1C1CC[NH+](Cc2cccc(-c3cnn(C)c3)c2)CC1 Cn1cc(cn1)[*:1] COC(=O)c1cccn1C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
COC(=O)c1cccn1C1CC[NH+](Cc2cccc(-c3cnn(C)c3)c2)CC1 COC(=O)c1cccn1[*:1] Cn1cc(cn1)-c1cccc(c1)C[NH+]1CCC(CC1)[*:1]
COc1cccc(CNc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 O=S(=O)(C1CCCC1)[*:1] COc1cccc(c1)CNc1ccc(cc1)[*:1]
COc1cccc(CNc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 C1CCC(C1)[*:1] COc1cccc(c1)CNc1ccc(cc1)S(=O)(=O)[*:1]
COc1cccc(CNc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 COc1cccc(c1)[*:1] O=S(=O)(c1ccc(cc1)NC[*:1])C1CCCC1
Cn1nccc1C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] Cn1nccc1C(=O)N1CCC(CC1)OC[*:1]
Cn1nccc1C(=O)N1CCC(OCc2ccccc2F)CC1 Cn1nccc1[*:1] O=C(N1CCC(CC1)OCc1ccccc1F)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1nccn1C c1ccc(cc1)[*:1] CCCS(=O)(=O)[C@@H](C)C(=O)N[C@@H](c1nccn1C)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1nccn1C CCCS(=O)(=O)[*:1] C[C@@H](C(=O)N[C@@H](c1ccccc1)c1nccn1C)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1nccn1C CCC[*:1] C[C@@H](C(=O)N[C@@H](c1ccccc1)c1nccn1C)S(=O)(=O)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1nccn1C Cn1ccnc1[*:1] CCCS(=O)(=O)[C@@H](C)C(=O)N[C@@H](c1ccccc1)[*:1]
CCN1C(=O)C=C(c2ccc(Cl)cc2)Nc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CCN1C(=O)C=C(Nc2cc(ccc21)[*:1])c1ccc(Cl)cc1
CCN1C(=O)C=C(c2ccc(Cl)cc2)Nc2cc([N+](=O)[O-])ccc21 Clc1ccc(cc1)[*:1] CCN1C(=O)C=C(Nc2cc(ccc21)[N+](=O)[O-])[*:1]
O=C(CCCOc1ccccc1)Nc1cccc2cccnc12 c1ccc(cc1)[*:1] O=C(CCCO[*:1])Nc1cccc2cccnc12
O=C(CCCOc1ccccc1)Nc1cccc2cccnc12 c1ccc(cc1)O[*:1] O=C(CCC[*:1])Nc1cccc2cccnc12
OCCc1cnc2ccccn12 OCC[*:1] c1ccn2c(cnc2c1)[*:1]
Clc1ccc(C[N+]23CCC(CC2)C(=C(c2ccccc2)c2ccccc2)C3)cc1 c1ccc(cc1)[*:1] Clc1ccc(cc1)C[N+]12CCC(CC1)C(C2)=C(c1ccccc1)[*:1]
Clc1ccc(C[N+]23CCC(CC2)C(=C(c2ccccc2)c2ccccc2)C3)cc1 Clc1ccc(cc1)[*:1] c1ccc(cc1)C(=C1C[N+]2(CCC1CC2)C[*:1])c1ccccc1
Clc1ccc(C[N+]23CCC(CC2)C(=C(c2ccccc2)c2ccccc2)C3)cc1 Clc1ccc(cc1)C[*:1] c1ccc(cc1)C(=C1C[N+]2(CCC1CC2)[*:1])c1ccccc1
C[NH+](C)C[C@@H]1CSCCCN1S(=O)(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)C[C@@H]1CSCCCN1S(=O)(=O)C[*:1]
Cc1ccc(-n2ncc3c2ncn2c(-c4ccccc4)nnc32)cc1 Cc1ccc(cc1)[*:1] c1ccc(cc1)-c1nnc2c3cnn(c3ncn12)[*:1]
Cc1ccc(-n2ncc3c2ncn2c(-c4ccccc4)nnc32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1ncc2c1ncn1c(nnc21)[*:1]
Cc1ccc(N)c(N(CCO)CCO)c1 OCC[*:1] Cc1ccc(N)c(c1)N(CCO)[*:1]
C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CC1)C[*:1]
Cc1nc(CC(=O)NC[C@@](C)(O)c2ccc(F)cc2)cs1 Cc1nc(cs1)[*:1] C[C@@](O)(CNC(=O)C[*:1])c1ccc(F)cc1
Cc1nc(CC(=O)NC[C@@](C)(O)c2ccc(F)cc2)cs1 Cc1nc(cs1)C[*:1] C[C@@](O)(CNC(=O)[*:1])c1ccc(F)cc1
Cc1nc(CC(=O)NC[C@@](C)(O)c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)NC[C@@](C)(O)[*:1]
CCO[C@@H](C)c1nc(CNc2cc(Br)ccc2C)cs1 CCO[C@@H](C)[*:1] Cc1ccc(Br)cc1NCc1csc(n1)[*:1]
CCO[C@@H](C)c1nc(CNc2cc(Br)ccc2C)cs1 CCO[*:1] Cc1ccc(Br)cc1NCc1csc(n1)[C@H](C)[*:1]
Cc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 O=C(N[*:1])c1ccco1 Cc1ccc(Cl)cc1NC(=O)Cc1csc(n1)[*:1]
Cc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 c1coc(c1)[*:1] Cc1ccc(Cl)cc1NC(=O)Cc1csc(n1)NC(=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 Cc1ccc(Cl)cc1[*:1] O=C(Cc1csc(n1)NC(=O)c1ccco1)N[*:1]
CCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc(OC)c(O)c2)n2c1nc1ccccc12 CCC[*:1] CCOC(=O)[C@@H]1C(=O)N(c2nc3ccccc3n2[C@H]1c1ccc(OC)c(O)c1)[*:1]
CCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc(OC)c(O)c2)n2c1nc1ccccc12 CCOC(=O)[*:1] CCCN1C(=O)[C@@H]([C@H](c2ccc(OC)c(O)c2)n2c1nc1ccccc12)[*:1]
CCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc(OC)c(O)c2)n2c1nc1ccccc12 COc1ccc(cc1O)[*:1] CCCN1C(=O)[C@@H](C(=O)OCC)[C@H](n2c1nc1ccccc12)[*:1]
Cc1nn(CC(=O)NCc2ccnc(OC(C)(C)C)c2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)NCc2ccnc(c2)OC(C)(C)C)c(C)c1[*:1]
Cc1nn(CC(=O)NCc2ccnc(OC(C)(C)C)c2)c(C)c1[N+](=O)[O-] CC(C)(C)[*:1] Cc1nn(CC(=O)NCc2ccnc(c2)O[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CC(=O)NCc2ccnc(OC(C)(C)C)c2)c(C)c1[N+](=O)[O-] CC(C)(C)O[*:1] Cc1nn(CC(=O)NCc2ccnc(c2)[*:1])c(C)c1[N+](=O)[O-]
O=C(c1ccc[n+]([O-])c1)N1CC[C@H](Nc2ccccc2)C1 [O-][n+]1cccc(c1)[*:1] O=C(N1CC[C@@H](C1)Nc1ccccc1)[*:1]
O=C(c1ccc[n+]([O-])c1)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc[n+]([O-])c1)N1CC[C@@H](C1)N[*:1]
O=C(c1ccc[n+]([O-])c1)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=C(c1ccc[n+]([O-])c1)N1CC[C@H](C1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H]([C@H](O)Cc2ccc(F)cc2)C1 CS(=O)(=O)[*:1] O[C@H](Cc1ccc(F)cc1)[C@@H]1CCC[C@@H](C1)[*:1]
COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OCc3c(C)noc3C)c(OC)c1)C2 Cc1noc(C)c1CO[*:1] COc1cc2C/C(=C/c3ccc(c(c3)OC)[*:1])C(=O)c2cc1OC
COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OCc3c(C)noc3C)c(OC)c1)C2 Cc1noc(C)c1C[*:1] COc1cc2C/C(=C/c3ccc(O[*:1])c(c3)OC)C(=O)c2cc1OC
COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OCc3c(C)noc3C)c(OC)c1)C2 Cc1noc(C)c1[*:1] COc1cc2C/C(=C/c3ccc(OC[*:1])c(c3)OC)C(=O)c2cc1OC
CC(=O)c1c(C)cc(C)c(CSCc2nnnn2-c2ccccc2)c1C CC(=O)[*:1] Cc1cc(C)c(c(C)c1CSCc1nnnn1-c1ccccc1)[*:1]
CC(=O)c1c(C)cc(C)c(CSCc2nnnn2-c2ccccc2)c1C c1ccc(cc1)[*:1] CC(=O)c1c(C)cc(C)c(CSCc2nnnn2[*:1])c1C
CC[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cn(C)cn1 Cn1cnc(c1)[*:1] CC[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)[*:1]
CC[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cn(C)cn1 c1ccc(cc1)[*:1] CC[C@@H]([C@H]1CCCN1S(=O)(=O)c1cn(C)cn1)[*:1]
CC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1nc(cs1)-c1ccc(Cl)cc1Cl
CC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1nc(cs1)-c1ccc(Cl)cc1Cl
CC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 Clc1ccc(c(Cl)c1)[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1nc(cs1)[*:1]
CCOc1ccc(NC(=O)[C@H](C)Sc2c([O-])on[n+]2-c2ccccc2)cc1 CCO[*:1] C[C@H](Sc1c([O-])on[n+]1-c1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)[C@H](C)Sc2c([O-])on[n+]2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)[C@H](C)Sc1c([O-])on[n+]1[*:1]
CCOc1ccc(NC(=O)[C@H](C)Sc2c([O-])on[n+]2-c2ccccc2)cc1 CCOc1ccc(cc1)[*:1] C[C@H](Sc1c([O-])on[n+]1-c1ccccc1)C(=O)N[*:1]
C[C@@H](CNC(=O)CCc1nc(-c2nc[nH]n2)no1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)CCc1nc(no1)-c1nc[nH]n1)[*:1]
C[C@@H](CNC(=O)CCc1nc(-c2nc[nH]n2)no1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(CCc1nc(no1)-c1nc[nH]n1)NC[*:1]
CCc1nn(C)cc1NC(=O)Nc1cccc([C@H](C)OC)c1 CO[C@@H](C)[*:1] CCc1nn(C)cc1NC(=O)Nc1cccc(c1)[*:1]
Fc1ccc2ccc(NC[C@@H]3CCCN(c4ncccn4)C3)nc2c1 c1cnc(nc1)[*:1] Fc1ccc2ccc(nc2c1)NC[C@@H]1CCCN(C1)[*:1]
CCC[C@H]1C(=N)NC(=O)N1CC(C)C CC(C)C[*:1] CCC[C@H]1C(=N)NC(=O)N1[*:1]
CCC[C@H]1C(=N)NC(=O)N1CC(C)C CC(C)[*:1] CCC[C@H]1C(=N)NC(=O)N1C[*:1]
CCC[C@H]1C(=N)NC(=O)N1CC(C)C CCC[*:1] CC(C)CN1C(=O)NC(=N)[C@@H]1[*:1]
Cc1cc(-c2cnc(C(C)C)nc2CN(C)S(=O)(=O)[C@H]2CCS(=O)(=O)C2)on1 Cc1cc(on1)[*:1] CC(C)c1ncc(c(CN(C)S(=O)(=O)[C@H]2CCS(=O)(=O)C2)n1)[*:1]
Cc1cc(-c2cnc(C(C)C)nc2CN(C)S(=O)(=O)[C@H]2CCS(=O)(=O)C2)on1 CC(C)[*:1] Cc1cc(on1)-c1cnc(nc1CN(C)S(=O)(=O)[C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(Cl)cc1NC(=O)c1n[nH]nc1Nc1ccc(F)cc1 Fc1ccc(cc1)N[*:1] COc1ccc(Cl)cc1NC(=O)c1n[nH]nc1[*:1]
COc1ccc(Cl)cc1NC(=O)c1n[nH]nc1Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)c1n[nH]nc1N[*:1]
C[C@@H](Cc1cncs1)NC(=O)c1ccc2nccn2c1 c1ncc(C[*:1])s1 C[C@@H](NC(=O)c1ccc2nccn2c1)[*:1]
C[C@@H](Cc1cncs1)NC(=O)c1ccc2nccn2c1 c1ncc(s1)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc2nccn2c1
COc1ccc(-c2noc(Cn3c(=O)n(Cc4ccco4)c(=O)c4ccccc43)n2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=c1c2ccccc2n(Cc2nc(no2)[*:1])c(=O)n1Cc1ccco1
COc1ccc(-c2noc(Cn3c(=O)n(Cc4ccco4)c(=O)c4ccccc43)n2)c(OC)c1 c1coc(c1)C[*:1] COc1ccc(-c2noc(Cn3c(=O)n(c(=O)c4ccccc43)[*:1])n2)c(c1)OC
COc1ccc(-c2noc(Cn3c(=O)n(Cc4ccco4)c(=O)c4ccccc43)n2)c(OC)c1 c1coc(c1)[*:1] COc1ccc(-c2noc(Cn3c(=O)n(C[*:1])c(=O)c4ccccc43)n2)c(c1)OC
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(Cl)nc2Cl)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(NC(=O)c2ccc(Cl)nc2Cl)n(n1)[*:1]
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(Cl)nc2Cl)n1 Clc1ccc(c(Cl)n1)[*:1] Cc1cc(C)nc(n1)-n1nc(C)cc1NC(=O)[*:1]
Cc1cccc(NC(=O)CN2CCN(C(=O)Cc3c(C)nc4nc(N)nn4c3C)CC2)c1C Cc1cccc(c1C)[*:1] Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1cccc(NC(=O)CN2CCN(C(=O)Cc3c(C)nc4nc(N)nn4c3C)CC2)c1C Cc1cccc(NC(=O)[*:1])c1C Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(CC1)C[*:1]
Cc1cccc(CN2CCN(C(=O)N[C@H]3CCN(CC(F)(F)F)C3)CC2)c1 Cc1cccc(c1)[*:1] O=C(N[C@H]1CCN(C1)CC(F)(F)F)N1CCN(CC1)C[*:1]
Cc1cccc(CN2CCN(C(=O)N[C@H]3CCN(CC(F)(F)F)C3)CC2)c1 FC(F)(F)[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)N[C@H]1CCN(C1)C[*:1]
Cc1cccc(CN2CCN(C(=O)N[C@H]3CCN(CC(F)(F)F)C3)CC2)c1 FC(F)(F)C[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)N[C@H]1CCN(C1)[*:1]
Cc1cccc(CN2CCN(C(=O)N[C@H]3CCN(CC(F)(F)F)C3)CC2)c1 Cc1cccc(c1)C[*:1] O=C(N[C@H]1CCN(C1)CC(F)(F)F)N1CCN(CC1)[*:1]
CCC(CC)CN(CC)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 CCC(CC)[*:1] CCN(C[*:1])C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C
CCC(CC)CN(CC)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 CCC(CC)C[*:1] CCN(C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C)[*:1]
CN1CC(=O)N(CCCC(=O)Nc2cnc3ccccc3c2)C1=O CN1CC(=O)N(C1=O)[*:1] O=C(CCC[*:1])Nc1cnc2ccccc2c1
CSCC(=O)NC1CCCC1 CSC[*:1] O=C(NC1CCCC1)[*:1]
O=C([O-])[C@H]1COCCN1C(=O)c1ccc(Br)nc1 O=C([O-])[*:1] O=C(c1ccc(Br)nc1)N1CCOC[C@@H]1[*:1]
Cc1oc(CNC(=O)c2ccnn2C)cc1C(=O)[O-] O=C([O-])[*:1] Cc1oc(cc1[*:1])CNC(=O)c1ccnn1C
Cc1oc(CNC(=O)c2ccnn2C)cc1C(=O)[O-] Cn1nccc1[*:1] Cc1oc(cc1C(=O)[O-])CNC(=O)[*:1]
O=C(NC[C@H](O)c1ccc2c(c1)CCO2)C(=O)Nc1ccc2c(c1)OCCO2 c1cc2OCCc2cc1[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1ccc2OCCOc2c1
Cc1cc(C)c(C(=O)Nc2cccc(CS(N)(=O)=O)c2)c(C)c1 NS(=O)(=O)C[*:1] Cc1cc(C)c(C(=O)Nc2cccc(c2)[*:1])c(C)c1
Cc1cc(C)c(C(=O)Nc2cccc(CS(N)(=O)=O)c2)c(C)c1 NS(=O)(=O)[*:1] Cc1cc(C)c(C(=O)Nc2cccc(c2)C[*:1])c(C)c1
CC(C)(C)OC(=O)N1CCC[C@@H](c2noc(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)c1noc(n1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](c2noc(-c3ccccc3)n2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](C1)c1noc(n1)-c1ccccc1
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1cnn(C(C)C)c1C(F)(F)F FC(F)(F)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1cnn(c1[*:1])C(C)C
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1cnn(C(C)C)c1C(F)(F)F CC(C)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1cnn(c1C(F)(F)F)[*:1]
CCc1nc2nc(C)c(CCO)c([O-])n2n1 OCC[*:1] CCc1nc2nc(C)c(c([O-])n2n1)[*:1]
Cc1cc(C)cc(C2=CC[NH+](CCN3CCCC3=O)CC2)c1 O=C1CCCN1[*:1] Cc1cc(C)cc(c1)C1=CC[NH+](CC1)CC[*:1]
Cc1cc(C)cc(C2=CC[NH+](CCN3CCCC3=O)CC2)c1 O=C1CCCN1C[*:1] Cc1cc(C)cc(c1)C1=CC[NH+](CC1)C[*:1]
CO[C@@H](CNC(=O)NCC(=O)NC1CC1)c1ccc(F)cc1 C1CC1[*:1] CO[C@@H](CNC(=O)NCC(=O)N[*:1])c1ccc(F)cc1
CO[C@@H](CNC(=O)NCC(=O)NC1CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)NCC(=O)NC1CC1)[*:1]
CO[C@@H](CNC(=O)NCC(=O)NC1CC1)c1ccc(F)cc1 O=C(NC1CC1)[*:1] CO[C@@H](CNC(=O)NC[*:1])c1ccc(F)cc1
CO[C@@H](CNC(=O)NCC(=O)NC1CC1)c1ccc(F)cc1 O=C(C[*:1])NC1CC1 CO[C@@H](CNC(=O)N[*:1])c1ccc(F)cc1
CSc1ccc(C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)o1 CSc1ccc(o1)[*:1] CC(C)COc1ncc(cc1Cl)CNC(=O)[*:1]
CSc1ccc(C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)o1 CC(C)CO[*:1] CSc1ccc(o1)C(=O)NCc1cnc(c(Cl)c1)[*:1]
CSc1ccc(C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)o1 CC(C)C[*:1] CSc1ccc(o1)C(=O)NCc1cnc(O[*:1])c(Cl)c1
CSc1ccc(C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)o1 CC(C)[*:1] CSc1ccc(o1)C(=O)NCc1cnc(OC[*:1])c(Cl)c1
CCN(Cc1ccc(C#N)cc1F)C(=O)[C@@H](NC(=O)OC)C(C)C COC(=O)N[*:1] CCN(Cc1ccc(C#N)cc1F)C(=O)[C@@H](C(C)C)[*:1]
CCN(Cc1ccc(C#N)cc1F)C(=O)[C@@H](NC(=O)OC)C(C)C CC(C)[*:1] CCN(Cc1ccc(C#N)cc1F)C(=O)[C@@H](NC(=O)OC)[*:1]
CCCn1nccc1[C@@H]([NH2+]C)[C@](C)(CC)N1CCOCC1 C1CN(CCO1)[*:1] CCCn1nccc1[C@@H]([NH2+]C)[C@](C)(CC)[*:1]
CCCn1nccc1[C@@H]([NH2+]C)[C@](C)(CC)N1CCOCC1 CCC[*:1] CC[C@@](C)([C@H]([NH2+]C)c1ccnn1[*:1])N1CCOCC1
CC(C)[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 CC(C)[*:1] O=C(c1cccc(O)c1)N1CC[NH+](CC1)[*:1]
Cc1cc(CN2CCn3c(nnc3-c3ccccc3)C2)c(OC(F)F)cc1C c1ccc(cc1)[*:1] Cc1cc(CN2CCn3c(C2)nnc3[*:1])c(cc1C)OC(F)F
Cc1cc(CN2CCn3c(nnc3-c3ccccc3)C2)c(OC(F)F)cc1C FC(F)O[*:1] Cc1cc(CN2CCn3c(C2)nnc3-c2ccccc2)c(cc1C)[*:1]
Cc1cc(CN2CCn3c(nnc3-c3ccccc3)C2)c(OC(F)F)cc1C FC(F)[*:1] Cc1cc(CN2CCn3c(C2)nnc3-c2ccccc2)c(cc1C)O[*:1]
COC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1OC COC(=O)[*:1] COc1ccc(C(=O)Nc2ccccc2[*:1])c(c1)OC
CN(C(=O)CCCS(C)(=O)=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C(=O)CCCS(C)(=O)=O)c1ccc(cc1)[*:1]
CN(C(=O)CCCS(C)(=O)=O)c1ccc(-c2ccccc2)cc1 CS(=O)(=O)CC[*:1] CN(C(=O)C[*:1])c1ccc(cc1)-c1ccccc1
CN(C(=O)CCCS(C)(=O)=O)c1ccc(-c2ccccc2)cc1 CS(=O)(=O)CCC[*:1] CN(C(=O)[*:1])c1ccc(cc1)-c1ccccc1
CN(C(=O)CCCS(C)(=O)=O)c1ccc(-c2ccccc2)cc1 CS(=O)(=O)C[*:1] CN(C(=O)CC[*:1])c1ccc(cc1)-c1ccccc1
CN(C(=O)CCCS(C)(=O)=O)c1ccc(-c2ccccc2)cc1 CS(=O)(=O)[*:1] CN(C(=O)CCC[*:1])c1ccc(cc1)-c1ccccc1
CCC(CC)NC(=O)N1CCN(CCOC)C(=O)C1 COCC[*:1] CCC(CC)NC(=O)N1CCN(C(=O)C1)[*:1]
CCC(CC)NC(=O)N1CCN(CCOC)C(=O)C1 CCC(CC)[*:1] COCCN1CCN(CC1=O)C(=O)N[*:1]
CCC(CC)NC(=O)N1CCN(CCOC)C(=O)C1 COC[*:1] CCC(CC)NC(=O)N1CCN(C[*:1])C(=O)C1
CCNC(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 Brc1cccc(c1)[*:1] CCNC(=O)NNC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cn1cc(/C=C/C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cn1 Cn1cc(cn1)[*:1] O=C(C=C[*:1])Nc1ccc(C(=O)[O-])c(O)c1
Cn1cc(/C=C/C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cn1 O=C([O-])[*:1] Cn1cc(/C=C/C(=O)Nc2ccc(c(O)c2)[*:1])cn1
CN(C)C(=O)Cc1nc(CSc2ccncc2N)cs1 CN(C)C(=O)[*:1] Nc1cnccc1SCc1csc(C[*:1])n1
CN(C)C(=O)Cc1nc(CSc2ccncc2N)cs1 CN(C)C(=O)C[*:1] Nc1cnccc1SCc1csc(n1)[*:1]
CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 NC(=O)C[*:1] CCOc1ccc(cc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(cc1)O[*:1]
CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 CCOc1ccc(cc1)[*:1] NC(=O)COc1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1[*:1]
CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 CCO[*:1] NC(=O)COc1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 NC(=O)[*:1] CCOc1ccc(cc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(cc1)OC[*:1]
CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 NC(=O)CO[*:1] CCOc1ccc(cc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)NC(C)(C)C C1CCC(CC1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])C(=O)NC(C)(C)C
C[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C1CCCCC1)[*:1]
C[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C1CCCCC1)C(=O)N[*:1]
CS[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CS[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1[*:1]
CS[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CS[C@H](C)C(=O)N[*:1] FC(F)(F)c1ccccc1[C@H]1CCC[C@H]1[*:1]
CS[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CS[C@H](C)[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[*:1]
C[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](C)S(C)(=O)=O C[C@H](S(C)(=O)=O)[*:1] C[C@@H](Cc1ccc2ccccc2c1)NC(=O)[*:1]
C[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](C)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](C)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N3CCc4ccccc4CC3)cc12 COC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])N1CCc2ccccc2CC1
C[C@H]1C[C@](C[NH3+])(N(C)[C@@H](C)Cc2cccs2)CCO1 c1csc(c1)C[*:1] C[C@H]1C[C@@](C[NH3+])(CCO1)N(C)[C@@H](C)[*:1]
C[C@H]1C[C@](C[NH3+])(N(C)[C@@H](C)Cc2cccs2)CCO1 c1csc(c1)[*:1] C[C@H]1C[C@@](C[NH3+])(CCO1)N(C)[C@@H](C)C[*:1]
COCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(O)cc1 COCC[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(O)cc2)N1C[*:1]
COCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] COCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1[*:1]
COCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(O)cc1 COC[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(O)cc2)N1CC[*:1]
COCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(O)cc1 COCCC[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(O)cc2)N1[*:1]
COc1ccc(O[C@@H](C)CNC(=O)N[C@H]2CCC[C@@]2(C)CO)cc1 COc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@H]1CCC[C@@]1(C)CO)O[*:1]
Cc1ccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)C[NH2+][C@@H](C)C(=O)N[*:1]
Cc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O CN(C)C(=O)C[*:1] Cc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
Cc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O Cc1ccccc1C[*:1] CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)[*:1]
Cc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O CN(C)C(=O)[*:1] Cc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
Cc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)N(CC(=O)N(C)C)C2=O Cc1ccccc1[*:1] CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)C[*:1]
CC(C)(C)OC(=O)Cn1cncn1 CC(C)(C)[*:1] O=C(Cn1cncn1)O[*:1]
COc1ccccc1OCC(=O)N1N=C(c2ccc(C)cc2)C[C@@]1(O)C(F)(F)F COc1ccccc1[*:1] Cc1ccc(cc1)C1C[C@](O)(N(N=1)C(=O)CO[*:1])C(F)(F)F
COc1ccccc1OCC(=O)N1N=C(c2ccc(C)cc2)C[C@@]1(O)C(F)(F)F Cc1ccc(cc1)[*:1] COc1ccccc1OCC(=O)N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
COc1ccccc1OCC(=O)N1N=C(c2ccc(C)cc2)C[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] COc1ccccc1OCC(=O)N1N=C(C[C@]1(O)[*:1])c1ccc(C)cc1
COc1ccccc1OCC(=O)N1N=C(c2ccc(C)cc2)C[C@@]1(O)C(F)(F)F COc1ccccc1O[*:1] Cc1ccc(cc1)C1C[C@](O)(N(N=1)C(=O)C[*:1])C(F)(F)F
CCN(CC)C(=O)C[C@@H]1c2nc(NC(=O)C3CCC3)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO O=C(N[*:1])C1CCC1 CCN(CC)C(=O)C[C@@H]1c2nc(sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO)[*:1]
CCN(CC)C(=O)C[C@@H]1c2nc(NC(=O)C3CCC3)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO C1CC(C1)[*:1] CCN(CC)C(=O)C[C@@H]1c2nc(NC(=O)[*:1])sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO
CCN(CC)C(=O)C[C@@H]1c2nc(NC(=O)C3CCC3)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO CCN(CC)C(=O)[*:1] C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2C[*:1])NC(=O)C1CCC1
CCN(CC)C(=O)C[C@@H]1c2nc(NC(=O)C3CCC3)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO CCN(CC)C(=O)C[*:1] C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2[*:1])NC(=O)C1CCC1
C[C@H]1CCCN(C(=O)C[NH2+][C@H](C)Cn2cccn2)C1 c1cnn(c1)[*:1] C[C@H]1CCCN(C1)C(=O)C[NH2+][C@H](C)C[*:1]
C[C@H]1CCCN(C(=O)C[NH2+][C@H](C)Cn2cccn2)C1 c1cnn(c1)C[*:1] C[C@H]1CCCN(C1)C(=O)C[NH2+][C@H](C)[*:1]
CC(=O)N1CCN(c2ccccc2CN2CCO[C@H](C(N)=O)C2)CC1 NC(=O)[*:1] CC(=O)N1CCN(CC1)c1ccccc1CN1CCO[C@H](C1)[*:1]
Cc1nc(Cl)ccc1C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 Cc1nc(Cl)ccc1[*:1] O=C(NC1CC[NH+](CC1)CC1(O)CCCCC1)[*:1]
Cc1nc(Cl)ccc1C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 OC1(CCCCC1)C[*:1] Cc1nc(Cl)ccc1C(=O)NC1CC[NH+](CC1)[*:1]
Cc1nc(Cl)ccc1C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 OC1(CCCCC1)[*:1] Cc1nc(Cl)ccc1C(=O)NC1CC[NH+](CC1)C[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc3c(c2)OCCO3)cc1 COc1ccccc1[*:1] C[C@@H](Sc1ccc2OCCOc2c1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc3c(c2)OCCO3)cc1 c1cc2OCCOc2cc1[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)[C@@H](C)S[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc3c(c2)OCCO3)cc1 COc1ccccc1NC(=O)[*:1] C[C@@H](Sc1ccc2OCCOc2c1)C(=O)Nc1ccc(cc1)[*:1]
COC(C)(C)c1noc(CCc2nc3ccccc3c(=O)n2C2CC2)n1 C1CC1[*:1] COC(C)(C)c1noc(CCc2nc3ccccc3c(=O)n2[*:1])n1
COC(C)(C)c1noc(CCc2nc3ccccc3c(=O)n2C2CC2)n1 COC(C)(C)[*:1] O=c1c2ccccc2nc(CCc2nc(no2)[*:1])n1C1CC1
COC(=O)c1ccc(NC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)cc1 COC(=O)[*:1] O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)Nc1ccc(cc1)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O c1ccc(cc1)[*:1] C[C@]1(CC[*:1])NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O c1csc(c1)[*:1] C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCc3sccc3[C@@H]2[*:1])C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O c1ccc(cc1)CC[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O c1ccc(cc1)C[*:1] C[C@]1(C[*:1])NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1=O
Cc1c(-c2nc(-c3ccc(Br)cc3)cs2)nnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(nnn1[*:1])-c1nc(cs1)-c1ccc(Br)cc1
Cc1c(-c2nc(-c3ccc(Br)cc3)cs2)nnn1-c1ccccc1 Brc1ccc(cc1)[*:1] Cc1c(nnn1-c1ccccc1)-c1nc(cs1)[*:1]
O=C(NCc1cccc(Cl)c1)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O Clc1cccc(c1)C[*:1] O=C(N[*:1])c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O
O=C(NCc1cccc(Cl)c1)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O Clc1cccc(c1)[*:1] O=C(NC[*:1])c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O
COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)ccn1 COC(=O)[*:1] C[C@@H](NC(=O)c1ccnc(c1)[*:1])c1ccc(F)c(Cl)c1
CCCCN(CCO)S(=O)(=O)c1cc(N)c(F)cc1C OCC[*:1] CCCCN(S(=O)(=O)c1cc(N)c(F)cc1C)[*:1]
CCCCN(CCO)S(=O)(=O)c1cc(N)c(F)cc1C CCCC[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)N(CCO)[*:1]
CCCCN(CCO)S(=O)(=O)c1cc(N)c(F)cc1C CCC[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)N(CCO)C[*:1]
O=C(c1cccc2cccnc12)N1CC[C@H](CSc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cccc2cccnc12)N1CC[C@H](CS[*:1])C1
O=C(c1cccc2cccnc12)N1CC[C@H](CSc2ccccc2)C1 c1ccc(cc1)SC[*:1] O=C(c1cccc2cccnc12)N1CC[C@H](C1)[*:1]
O=C(c1cccc2cccnc12)N1CC[C@H](CSc2ccccc2)C1 c1ccc(cc1)S[*:1] O=C(c1cccc2cccnc12)N1CC[C@@H](C1)C[*:1]
C[C@@H](c1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 c1csc(c1)[*:1] C[C@@H](N(C)C(=O)c1ccc(s1)[N+](=O)[O-])[*:1]
C[C@@H](c1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] C[C@@H](c1cccs1)N(C)C(=O)c1ccc(s1)[*:1]
CN1C(=O)CO[C@@H](C(=O)NCc2cccs2)[C@@H]1c1ccccc1 c1csc(c1)[*:1] CN1C(=O)CO[C@@H](C(=O)NC[*:1])[C@@H]1c1ccccc1
CN1C(=O)CO[C@@H](C(=O)NCc2cccs2)[C@@H]1c1ccccc1 c1csc(c1)C[*:1] CN1C(=O)CO[C@@H](C(=O)N[*:1])[C@@H]1c1ccccc1
CN1C(=O)CO[C@@H](C(=O)NCc2cccs2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)CO[C@@H](C(=O)NCc2cccs2)[C@H]1[*:1]
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(Br)c1 Clc1ccc(cc1)[*:1] CC(C)N(Cc1nc(no1)[*:1])C(=O)c1cccc(Br)c1
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(Br)c1 CC(C)[*:1] O=C(c1cccc(Br)c1)N(Cc1nc(no1)-c1ccc(Cl)cc1)[*:1]
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CC(C)N(Cc1nc(no1)-c1ccc(Cl)cc1)C(=O)[*:1]
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2(Sc3ccccc3)CCCC2)c1 CC(C)N(C)C(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])C1(CCCC1)Sc1ccccc1
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2(Sc3ccccc3)CCCC2)c1 CC(C)[*:1] CN(C(=O)c1ccc(Cl)c(c1)NC(=O)C1(CCCC1)Sc1ccccc1)[*:1]
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2(Sc3ccccc3)CCCC2)c1 c1ccc(cc1)S[*:1] CC(C)N(C)C(=O)c1ccc(Cl)c(c1)NC(=O)C1(CCCC1)[*:1]
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2(Sc3ccccc3)CCCC2)c1 c1ccc(cc1)[*:1] CC(C)N(C)C(=O)c1ccc(Cl)c(c1)NC(=O)C1(CCCC1)S[*:1]
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1c(Cl)cccc1Cl NS(=O)(=O)[*:1] C[C@H]1Cc2cc(ccc2N1Cc1c(Cl)cccc1Cl)[*:1]
O=c1oc2ccccc2n1Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=c1oc2ccccc2n1Cc1cccc(c1)[*:1]
CC[C@H]1CCCN1c1cc(C(C)=O)ccn1 CC(=O)[*:1] CC[C@H]1CCCN1c1cc(ccn1)[*:1]
Cc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1Br N#CCO[*:1] Cc1ccc(cc1Br)NC(=O)Cc1cccc(c1)[*:1]
Cc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1Br N#CC[*:1] Cc1ccc(cc1Br)NC(=O)Cc1cccc(c1)O[*:1]
CCn1c(Sc2ncccc2C#N)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 N#Cc1cccnc1[*:1] CCn1c(nnc1-c1cccc(c1)S(=O)(=O)N1CCCC1)S[*:1]
CCn1c(Sc2ncccc2C#N)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 N#Cc1cccnc1S[*:1] CCn1c(nnc1[*:1])-c1cccc(c1)S(=O)(=O)N1CCCC1
CCn1c(Sc2ncccc2C#N)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] CCn1c(nnc1-c1cccc(c1)[*:1])Sc1ncccc1C#N
CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(C)cn23)n(C)c1=O Fc1ccc(cc1)[*:1] CC(=O)Cn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(C)cn23)n(C)c1=O CC(=O)[*:1] Cc1cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1-c1ccc(F)cc1
CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(C)cn23)n(C)c1=O CC(=O)C[*:1] Cc1cn2c3c(=O)n(c(=O)n(C)c3nc2n1-c1ccc(F)cc1)[*:1]
NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC[C@@H]1CCCc2ccccc21 NS(=O)(=O)[*:1] O=C(CN1CCc2cc(ccc21)[*:1])NC[C@@H]1CCCc2ccccc21
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CC[C@@H](C)[C@H]4CCCC[C@@H]43)CC2)c1 COc1cc(cc(c1)[*:1])OC C[C@@H]1CCN(C(=O)C2CCN(CC2)C(=O)[*:1])[C@H]2CCCC[C@@H]21
FC(F)(F)c1nnc2ccc(N3CCC[C@H](c4nnc5n4CCCCC5)C3)nn12 FC(F)(F)[*:1] c1cc2nnc(n2nc1N1CCC[C@@H](C1)c1nnc2CCCCCn21)[*:1]
CC[C@@H](C)CN(CCC(N)=O)c1ccc(F)cc1 NC(=O)C[*:1] CC[C@@H](C)CN(C[*:1])c1ccc(F)cc1
CC[C@@H](C)CN(CCC(N)=O)c1ccc(F)cc1 NC(=O)CC[*:1] CC[C@@H](C)CN(c1ccc(F)cc1)[*:1]
CC[C@@H](C)CN(CCC(N)=O)c1ccc(F)cc1 CC[C@@H](C)C[*:1] NC(=O)CCN(c1ccc(F)cc1)[*:1]
CC[C@@H](C)CN(CCC(N)=O)c1ccc(F)cc1 CC[C@@H](C)[*:1] NC(=O)CCN(C[*:1])c1ccc(F)cc1
CC[C@@H](C)CN(CCC(N)=O)c1ccc(F)cc1 NC(=O)[*:1] CC[C@@H](C)CN(CC[*:1])c1ccc(F)cc1
COc1ccc2c(C(=O)Nc3cccc(C)c3C)cc(=O)oc2c1 Cc1cccc(c1C)[*:1] COc1ccc2c(cc(=O)oc2c1)C(=O)N[*:1]
CCNc1ncc(S(=O)(=O)NC[C@@]2(C)CCCO2)cc1Cl CCN[*:1] C[C@@]1(CCCO1)CNS(=O)(=O)c1cnc(c(Cl)c1)[*:1]
C[C@@H]1CCC[C@@]1(C(=O)[O-])c1ccc(Cl)cc1Cl O=C([O-])[*:1] C[C@@H]1CCC[C@]1(c1ccc(Cl)cc1Cl)[*:1]
CC(C)Oc1ncc(C(=O)N[C@H]2C[C@@H]2C)cc1Cl C[C@H]1C[C@@H]1[*:1] CC(C)Oc1ncc(cc1Cl)C(=O)N[*:1]
CC(C)Oc1ncc(C(=O)N[C@H]2C[C@@H]2C)cc1Cl CC(C)[*:1] C[C@H]1C[C@@H]1NC(=O)c1cnc(O[*:1])c(Cl)c1
CC(C)Oc1ncc(C(=O)N[C@H]2C[C@@H]2C)cc1Cl CC(C)O[*:1] C[C@H]1C[C@@H]1NC(=O)c1cnc(c(Cl)c1)[*:1]
CC[NH2+][C@@]1(C(N)=O)CCC[C@H](n2nc(CC)nc2CC)C1 NC(=O)[*:1] CC[NH2+][C@]1(CCC[C@@H](C1)n1nc(CC)nc1CC)[*:1]
C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)c1cccc(-c2ccncc2)c1 c1cc(ccn1)[*:1] C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)c1cccc(c1)[*:1]
C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)c1cccc(-c2ccncc2)c1 Clc1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H](CO)[*:1])c1cccc(c1)-c1ccncc1
O=[S@](Cc1cc(-c2ccccc2)on1)Cc1ccc(F)cc1Cl c1ccc(cc1)[*:1] O=[S@](Cc1cc(on1)[*:1])Cc1ccc(F)cc1Cl
CCc1cc2c(C)cc(=O)oc2cc1OCCBr BrCCO[*:1] CCc1cc2c(C)cc(=O)oc2cc1[*:1]
CCc1cc2c(C)cc(=O)oc2cc1OCCBr BrCC[*:1] CCc1cc2c(C)cc(=O)oc2cc1O[*:1]
CC(C)(C)Oc1cc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccn1 CC(C)(C)[*:1] O=C(Cc1c[nH]c2ccc(cc12)[N+](=O)[O-])NCc1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccn1 CC(C)(C)O[*:1] O=C(Cc1c[nH]c2ccc(cc12)[N+](=O)[O-])NCc1ccnc(c1)[*:1]
CC(C)(C)Oc1cc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccn1 O=[N+]([O-])[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)Cc1c[nH]c2ccc(cc12)[*:1]
CC(C)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 CC(C)[*:1] CN(CC(=O)N[C@@H](c1ccc2OCCCOc2c1)[*:1])S(=O)(=O)c1ccc(Cl)cc1
CC(C)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 Clc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CN(C)S(=O)(=O)[*:1])c1ccc2OCCCOc2c1
CSC(C)(C)CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CSC(C)(C)CNC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CSC(C)(C)CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 CSC(C)(C)C[*:1] O=C(N[C@@H]1CC(=O)N(C1)C1CC1)N[*:1]
CSC(C)(C)CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 CSC(C)(C)[*:1] O=C(NC[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
Cc1nc(C)c(C(=O)N2CCCSC[C@H]2C[NH+]2CCCC2)s1 Cc1nc(C)c(s1)[*:1] O=C(N1CCCSC[C@H]1C[NH+]1CCCC1)[*:1]
Cn1cc(C(=O)N2CCc3ccc(F)cc32)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)N2CCc3ccc(F)cc32)c(n1)[*:1]
C(=N/n1cnnc1)\c1ccc(N2CCCCC2)cc1 C1CCN(CC1)[*:1] C(=N/n1cnnc1)\c1ccc(cc1)[*:1]
N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)S1 c1ccc(cc1)C[*:1] N=C1NC(=O)/C(=C/c2ccc(O[*:1])c(Cl)c2)S1
N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)S1 c1ccc(cc1)[*:1] N=C1NC(=O)/C(=C/c2ccc(OC[*:1])c(Cl)c2)S1
O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccccc1 O=C(c1cccs1)[*:1] O=C(Cn1cc(c2ccccc21)[*:1])Nc1ccccc1
O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccccc1 c1csc(c1)[*:1] O=C(Cn1cc(C(=O)[*:1])c2ccccc21)Nc1ccccc1
O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)N[*:1]
Cc1nn(CC(=O)N2[C@@H](C)COC[C@@H]2C)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)N2[C@@H](C)COC[C@@H]2C)c(C)c1[*:1]
CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)[*:1]
Cc1c(NCc2cccc(F)c2Cl)cccc1C(=O)N1CCOCC1 Fc1cccc(c1Cl)[*:1] Cc1c(cccc1C(=O)N1CCOCC1)NC[*:1]
Cc1c(NCc2cccc(F)c2Cl)cccc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1c(cccc1[*:1])NCc1cccc(F)c1Cl
Cc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2F)CC1 Cc1ccccc1[*:1] C[C@H](Oc1ccc(F)cc1F)C(=O)N1CCN(CC1)[*:1]
Cc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] Cc1ccccc1N1CCN(CC1)C(=O)[C@H](C)O[*:1]
Cc1c(C2CC2)n[nH]c1NC(=O)c1cc(C)n(-c2ccccc2)n1 C1CC1[*:1] Cc1c(n[nH]c1NC(=O)c1cc(C)n(n1)-c1ccccc1)[*:1]
Cc1c(C2CC2)n[nH]c1NC(=O)c1cc(C)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1c(n[nH]c1NC(=O)c1cc(C)n(n1)[*:1])C1CC1
C[C@@H]1CCc2cc(C(=O)[O-])sc2C1 O=C([O-])[*:1] C[C@@H]1CCc2cc(sc2C1)[*:1]
CCC1CCC(C(=O)NCc2nc(Cc3ccccc3)n[nH]2)CC1 c1ccc(cc1)[*:1] CCC1CCC(CC1)C(=O)NCc1nc(C[*:1])n[nH]1
CCC1CCC(C(=O)NCc2nc(Cc3ccccc3)n[nH]2)CC1 CCC1CCC(CC1)[*:1] O=C(NCc1nc(Cc2ccccc2)n[nH]1)[*:1]
CCC1CCC(C(=O)NCc2nc(Cc3ccccc3)n[nH]2)CC1 c1ccc(cc1)C[*:1] CCC1CCC(CC1)C(=O)NCc1nc(n[nH]1)[*:1]
CN1CCN(C(=O)COCC(F)(F)F)[C@@H](c2ccccc2)C1 FC(F)(F)[*:1] CN1CCN(C(=O)COC[*:1])[C@H](C1)c1ccccc1
CN1CCN(C(=O)COCC(F)(F)F)[C@@H](c2ccccc2)C1 FC(F)(F)C[*:1] CN1CCN(C(=O)CO[*:1])[C@H](C1)c1ccccc1
CN1CCN(C(=O)COCC(F)(F)F)[C@@H](c2ccccc2)C1 FC(F)(F)COC[*:1] CN1CCN(C(=O)[*:1])[C@H](C1)c1ccccc1
CN1CCN(C(=O)COCC(F)(F)F)[C@@H](c2ccccc2)C1 FC(F)(F)CO[*:1] CN1CCN(C(=O)C[*:1])[C@H](C1)c1ccccc1
CN1CCN(C(=O)COCC(F)(F)F)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)COCC(F)(F)F)[C@@H](C1)[*:1]
CCNC(=O)NCc1nc(-c2ccc(OC)cc2)no1 CCNC(=O)N[*:1] COc1ccc(cc1)-c1noc(C[*:1])n1
C[C@@H]1SCCC[C@@]1(C[NH3+])[NH2+]CCC1CC1 C1CC1[*:1] C[C@@H]1SCCC[C@@]1(C[NH3+])[NH2+]CC[*:1]
C[C@@H]1SCCC[C@@]1(C[NH3+])[NH2+]CCC1CC1 C1CC1C[*:1] C[C@@H]1SCCC[C@@]1(C[NH3+])[NH2+]C[*:1]
C[C@@H]1SCCC[C@@]1(C[NH3+])[NH2+]CCC1CC1 C1CC1CC[*:1] C[C@@H]1SCCC[C@@]1(C[NH3+])[NH2+][*:1]
C#CCCNC(=O)c1cc(OC)c(OC)c(OC)c1 C#CC[*:1] COc1cc(cc(OC)c1OC)C(=O)NC[*:1]
C#CCCNC(=O)c1cc(OC)c(OC)c(OC)c1 C#CCC[*:1] COc1cc(cc(OC)c1OC)C(=O)N[*:1]
O=C(Cn1c(-c2ccc(F)cc2)csc1=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(Cn1c(csc1=O)-c1ccc(F)cc1)N[*:1]
O=C(Cn1c(-c2ccc(F)cc2)csc1=O)NC1CCCCCC1 Fc1ccc(cc1)[*:1] O=C(Cn1c(csc1=O)[*:1])NC1CCCCCC1
Nc1c(C(=O)CN2CC=C(c3ccc(O)cc3)CC2)c(=O)[nH]c(=O)n1C1CC1 Oc1ccc(cc1)[*:1] Nc1c(C(=O)CN2CC=C(CC2)[*:1])c(=O)[nH]c(=O)n1C1CC1
Nc1c(C(=O)CN2CC=C(c3ccc(O)cc3)CC2)c(=O)[nH]c(=O)n1C1CC1 C1CC1[*:1] Nc1c(C(=O)CN2CC=C(CC2)c2ccc(O)cc2)c(=O)[nH]c(=O)n1[*:1]
O=C(Cn1c(=O)oc2ccccc21)NCC1CCN(c2nsc3ccccc23)CC1 O=c1oc2ccccc2n1[*:1] O=C(C[*:1])NCC1CCN(CC1)c1nsc2ccccc12
O=C(Cn1c(=O)oc2ccccc21)NCC1CCN(c2nsc3ccccc23)CC1 c1ccc2c(nsc2c1)[*:1] O=C(Cn1c(=O)oc2ccccc21)NCC1CCN(CC1)[*:1]
S=C1[NH+]=N[C@@H](c2cccnc2)N1/N=C/c1cccc(Cl)c1Cl c1cncc(c1)[*:1] S=C1[NH+]=N[C@@H](N1/N=C/c1cccc(Cl)c1Cl)[*:1]
CCc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccc(OC)cc3OC)s2)CC1=O CCc1ccccc1[*:1] COc1ccc(C(=O)Nc2nnc(s2)[C@@H]2CC(=O)N(C2)[*:1])c(c1)OC
CCc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccc(OC)cc3OC)s2)CC1=O COc1ccc(c(c1)OC)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])s1
Cc1cccc([C@H](C)[S@@](=O)Cc2ncc(-c3cccs3)o2)c1 Cc1cccc(c1)[*:1] C[C@H]([S@@](=O)Cc1ncc(o1)-c1cccs1)[*:1]
Cc1cccc([C@H](C)[S@@](=O)Cc2ncc(-c3cccs3)o2)c1 c1csc(c1)[*:1] Cc1cccc(c1)[C@H](C)[S@@](=O)Cc1ncc(o1)[*:1]
CCOc1ccc(-c2ccc(C(=O)[O-])cn2)c(C)c1 CCO[*:1] Cc1cc(ccc1-c1ccc(cn1)C(=O)[O-])[*:1]
CCOc1ccc(-c2ccc(C(=O)[O-])cn2)c(C)c1 O=C([O-])[*:1] CCOc1ccc(-c2ccc(cn2)[*:1])c(C)c1
N#Cc1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(c1)[*:1]
N#Cc1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 c1coc(c1)[*:1] N#Cc1ccc(NC[C@@H]([NH+]2CCCC2)[*:1])c(c1)[N+](=O)[O-]
Cc1oc(-c2cccc(Cl)c2)nc1CN1CCO[C@H](CCO)C1 Clc1cccc(c1)[*:1] Cc1oc(nc1CN1CCO[C@H](CCO)C1)[*:1]
Cc1oc(-c2cccc(Cl)c2)nc1CN1CCO[C@H](CCO)C1 OCC[*:1] Cc1oc(nc1CN1CCO[C@H](C1)[*:1])-c1cccc(Cl)c1
O=C(NNc1cccnn1)Nc1ccccc1C(F)(F)F c1cnnc(c1)[*:1] O=C(NN[*:1])Nc1ccccc1C(F)(F)F
O=C(NNc1cccnn1)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NNc1cccnn1)Nc1ccccc1[*:1]
O=C(CCc1nc(-c2ccccc2)no1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1cc2OCCc2cc1C[*:1] O=C(CCc1nc(no1)-c1ccccc1)N1CCN(CC1)[*:1]
O=C(CCc1nc(-c2ccccc2)no1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1cc2OCCc2cc1[*:1] O=C(CCc1nc(no1)-c1ccccc1)N1CCN(CC1)C[*:1]
O=C(CCc1nc(-c2ccccc2)no1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])N1CCN(CC1)Cc1ccc2OCCc2c1
C[C@@H]([C@H]1CC=CS1)n1nccc1NC(=O)CC1(CC(=O)[O-])CCCCC1 O=C([O-])[*:1] C[C@@H]([C@H]1CC=CS1)n1nccc1NC(=O)CC1(CCCCC1)C[*:1]
C[C@@H]([C@H]1CC=CS1)n1nccc1NC(=O)CC1(CC(=O)[O-])CCCCC1 O=C([O-])C[*:1] C[C@@H]([C@H]1CC=CS1)n1nccc1NC(=O)CC1(CCCCC1)[*:1]
CO[C@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)[*:1]
O=C(CCn1ncc2cc(Cl)ccc21)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCn1ncc2cc(Cl)ccc21)N(Cc1ccccc1)[*:1]
O=C(CCn1ncc2cc(Cl)ccc21)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1ncc2cc(Cl)ccc21)N(Cc1ccccc1)C[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(c2nc(N)nc3[nH]cnc23)C1 COC[*:1] Nc1nc(c2nc[nH]c2n1)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(c2nc(N)nc3[nH]cnc23)C1 COCC[*:1] Nc1nc(c2nc[nH]c2n1)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
CC[C@@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CC1 CC[C@@H](O)[*:1] Cn1cc(cn1)[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C[*:1]
CC[C@@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CC1 CC[C@@H](O)C[*:1] Cn1cc(cn1)[C@H]1C[C@@H]1C(=O)N1CCN(CC1)[*:1]
CC[C@@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] CC[C@@H](O)CN1CCN(CC1)C(=O)[C@H]1C[C@H]1[*:1]
COc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1Cl COc1ccc(cc1Cl)[*:1] COc1ccc(cc1OC)-c1nsc(n1)NC(=O)[*:1]
C=CCC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)C1CC1 C=CC[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](C[*:1])C1CC1
C=CCC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)C1CC1 C1CC1[*:1] C=CCC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)[*:1]
C=CCC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)C1CC1 C=CCC[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@H](C1CC1)[*:1]
COc1ccc(SCC(=O)N2CC[NH+](CC3CC3)CC2)cc1 C1CC1C[*:1] COc1ccc(cc1)SCC(=O)N1CC[NH+](CC1)[*:1]
COc1ccc(SCC(=O)N2CC[NH+](CC3CC3)CC2)cc1 C1CC1[*:1] COc1ccc(cc1)SCC(=O)N1CC[NH+](CC1)C[*:1]
O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1N1CCCCC1 c1coc(c1)[*:1] O=S(=O)(c1ccc(Cl)cc1)c1nc(oc1N1CCCCC1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1N1CCCCC1 Clc1ccc(cc1)[*:1] O=S(=O)(c1nc(oc1N1CCCCC1)-c1ccco1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1N1CCCCC1 C1CCN(CC1)[*:1] O=S(=O)(c1ccc(Cl)cc1)c1nc(oc1[*:1])-c1ccco1
COc1ccc2[nH]c3c(=O)n(CCc4ccccc4)cnc3c2c1 c1ccc(cc1)C[*:1] COc1ccc2[nH]c3c(=O)n(cnc3c2c1)C[*:1]
COc1ccc2[nH]c3c(=O)n(CCc4ccccc4)cnc3c2c1 c1ccc(cc1)CC[*:1] COc1ccc2[nH]c3c(=O)n(cnc3c2c1)[*:1]
COc1ccc2[nH]c3c(=O)n(CCc4ccccc4)cnc3c2c1 c1ccc(cc1)[*:1] COc1ccc2[nH]c3c(=O)n(cnc3c2c1)CC[*:1]
CC[NH+](C)Cc1cccc(CNC(=O)N(C)Cc2nccs2)c1 c1csc(C[*:1])n1 CC[NH+](C)Cc1cccc(c1)CNC(=O)N(C)[*:1]
CC[NH+](C)Cc1cccc(CNC(=O)N(C)Cc2nccs2)c1 c1csc(n1)[*:1] CC[NH+](C)Cc1cccc(c1)CNC(=O)N(C)C[*:1]
Cc1ccc(C)c(Oc2ccc(CNC(=O)N3CCCSCC3)cn2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCc1ccc(nc1)O[*:1])N1CCCSCC1
C[C@@H](NC(=O)c1csnn1)c1ccc(OCc2cccnc2)cc1 O=C(N[*:1])c1csnn1 C[C@@H](c1ccc(cc1)OCc1cccnc1)[*:1]
C[C@@H](NC(=O)c1csnn1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)c1csnn1)c1ccc(cc1)OC[*:1]
C[C@@H](NC(=O)c1csnn1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)CO[*:1] C[C@@H](NC(=O)c1csnn1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1csnn1)c1ccc(OCc2cccnc2)cc1 c1snnc1[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)OCc1cccnc1
C[C@@H](NC(=O)c1csnn1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] C[C@@H](NC(=O)c1csnn1)c1ccc(cc1)O[*:1]
CCc1nn(C)cc1C(=O)N1CCN(c2nc(C)c(C)s2)CC1 Cc1nc(sc1C)[*:1] CCc1nn(C)cc1C(=O)N1CCN(CC1)[*:1]
Cc1ccnc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)c1 Cc1ccnc(c1)[*:1] Cc1ccccc1NC(=O)c1cc(cs1)S(=O)(=O)N[*:1]
Cc1ccnc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)c1 Cc1ccccc1[*:1] Cc1ccnc(c1)NS(=O)(=O)c1csc(c1)C(=O)N[*:1]
C[C@H](NC(=O)c1ccncc1Cl)c1ccc(-n2cccn2)cc1 Clc1cnccc1[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-n1cccn1
C[C@H](NC(=O)c1ccncc1Cl)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@H](NC(=O)c1ccncc1Cl)c1ccc(cc1)[*:1]
CC(C)(C)C(=O)OCC#CCSc1nnc(-c2cccc(F)c2)o1 Fc1cccc(c1)[*:1] CC(C)(C)C(=O)OCC#CCSc1nnc(o1)[*:1]
CC(C)(C)C(=O)OCC#CCSc1nnc(-c2cccc(F)c2)o1 CC(C)(C)C(=O)O[*:1] Fc1cccc(c1)-c1nnc(o1)SCC#CC[*:1]
CC(C)(C)C(=O)OCC#CCSc1nnc(-c2cccc(F)c2)o1 CC(C)(C)C(=O)OC[*:1] Fc1cccc(c1)-c1nnc(o1)SCC#C[*:1]
CC(C)(C)C(=O)OCC#CCSc1nnc(-c2cccc(F)c2)o1 CC(C)(C)[*:1] O=C(OCC#CCSc1nnc(o1)-c1cccc(F)c1)[*:1]
CC[NH+](CC)[C@H](CNC(=O)c1c(Cl)cccc1Cl)c1ccco1 c1coc(c1)[*:1] CC[NH+](CC)[C@H](CNC(=O)c1c(Cl)cccc1Cl)[*:1]
C[C@@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1nnnn1C1CC1 C1CCC(CC1)[*:1] C[C@@H](C(=O)N[*:1])[S@@](=O)Cc1nnnn1C1CC1
C[C@@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1nnnn1C1CC1 C1CC1[*:1] C[C@@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1nnnn1[*:1]
CC[C@H](Sc1nnc(Cc2cccc(F)c2)o1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](Sc1nnc(Cc2cccc(F)c2)o1)[*:1]
CC[C@H](Sc1nnc(Cc2cccc(F)c2)o1)c1ccccc1 Fc1cccc(c1)[*:1] CC[C@H](Sc1nnc(C[*:1])o1)c1ccccc1
C/C(=N/OCC(=O)Nc1c(C)cccc1C)c1ccc2c(c1)CCO2 Cc1cccc(C)c1[*:1] C/C(=N/OCC(=O)N[*:1])c1ccc2OCCc2c1
CCc1nc2n(n1)CCC[C@H]2Nc1nc(N(C)C)cc(C(F)(F)F)n1 CN(C)[*:1] CCc1nc2[C@@H](CCCn2n1)Nc1nc(cc(n1)[*:1])C(F)(F)F
CCc1nc2n(n1)CCC[C@H]2Nc1nc(N(C)C)cc(C(F)(F)F)n1 FC(F)(F)[*:1] CCc1nc2[C@@H](CCCn2n1)Nc1nc(cc(n1)[*:1])N(C)C
CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCN(C(C)(C)C(N)=O)CC2)n1 CC(C)(C(N)=O)[*:1] CC(C)(C)c1noc(n1)-c1ccccc1C(=O)N1CCN(CC1)[*:1]
CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCN(C(C)(C)C(N)=O)CC2)n1 CC(C)(C)c1noc(n1)[*:1] CC(C)(C(N)=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCN(C(C)(C)C(N)=O)CC2)n1 CC(C)(C)[*:1] CC(C)(C(N)=O)N1CCN(CC1)C(=O)c1ccccc1-c1nc(no1)[*:1]
CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCN(C(C)(C)C(N)=O)CC2)n1 NC(=O)[*:1] CC(C)(C)c1noc(n1)-c1ccccc1C(=O)N1CCN(CC1)C(C)(C)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)C2CCN(C(N)=O)CC2)cc1 CCO[*:1] NC(=O)N1CCC(CC1)C(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(C)cc2)CC1 COc1ccccc1[*:1] Cc1ccc(cc1)OC[C@@H](O)C[NH+]1CCN(CC1)[*:1]
COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(C)cc2)CC1 Cc1ccc(cc1)O[*:1] COc1ccccc1N1CC[NH+](CC1)C[C@H](O)C[*:1]
COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] COc1ccccc1N1CC[NH+](CC1)C[C@H](O)CO[*:1]
CS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[*:1]
CO[C@H](CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1 C1CC1[*:1] CO[C@H](CNC(=O)N[C@@H]1CC(=O)N(C1)[*:1])c1ccc(F)cc1
CO[C@H](CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)N[C@@H]1CC(=O)N(C1)C1CC1)[*:1]
Cc1ccc2[nH+]c(N)n([C@H](C)CN3CCOCC3)c2c1 C1CN(CCO1)[*:1] Cc1ccc2[nH+]c(N)n(c2c1)[C@H](C)C[*:1]
CCN[C@@H](c1cnn(C)c1)C(CC)(CC)[NH+](C)C CCN[*:1] CCC(CC)([C@H](c1cnn(C)c1)[*:1])[NH+](C)C
CCN[C@@H](c1cnn(C)c1)C(CC)(CC)[NH+](C)C Cn1cc(cn1)[*:1] CCN[C@@H](C(CC)(CC)[NH+](C)C)[*:1]
Cc1cccc2c(=O)[nH]c(CSc3ccncc3N)nc12 Nc1cnccc1[*:1] Cc1cccc2c(=O)[nH]c(CS[*:1])nc12
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1cc(ccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])[*:1]
O=C(c1cnc(-c2ccccn2)s1)N1CCc2cc(F)ccc2C1 c1ccc(nc1)[*:1] O=C(c1cnc(s1)[*:1])N1CCc2cc(F)ccc2C1
COc1ccc(-c2cc3ncn(Cc4cc(=O)n5ccsc5[nH+]4)c(=O)c3s2)cc1 COc1ccc(cc1)[*:1] O=c1c2sc(cc2ncn1Cc1cc(=O)n2ccsc2[nH+]1)[*:1]
CC(C)Oc1ccc(F)cc1NCc1nnsc1Cl Clc1snnc1[*:1] CC(C)Oc1ccc(F)cc1NC[*:1]
CC(C)Oc1ccc(F)cc1NCc1nnsc1Cl CC(C)[*:1] Fc1ccc(O[*:1])c(c1)NCc1nnsc1Cl
CC(C)Oc1ccc(F)cc1NCc1nnsc1Cl CC(C)O[*:1] Fc1ccc(c(c1)NCc1nnsc1Cl)[*:1]
Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cccc(C)c3)C2)cc1 Cc1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@](C)(C1)C(=O)N[*:1]
Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cccc(C)c3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@](C)(C1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cccc(C)c3)C2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)CNC(=O)[C@@]1(C)CCCN(C1)C(=O)N[*:1]
Clc1ncnc2c1c(I)cn2Cc1ccccc1 c1ccc(cc1)[*:1] Clc1ncnc2c1c(I)cn2C[*:1]
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F O=C([O-])[*:1] CC[C@H](C)NS(=O)(=O)c1ccc(cc1F)[*:1]
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F CC[C@H](C)[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)N[*:1]
O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[*:1]
O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[*:1]
CCOc1ccc(-c2cc(C(=O)Nc3cc4c(cc3C)OCCO4)[nH]n2)cc1 CCO[*:1] Cc1cc2OCCOc2cc1NC(=O)c1cc(n[nH]1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2cc(C(=O)Nc3cc4c(cc3C)OCCO4)[nH]n2)cc1 CCOc1ccc(cc1)[*:1] Cc1cc2OCCOc2cc1NC(=O)c1cc(n[nH]1)[*:1]
COC(=O)[C@H](C)CNC(=O)Nc1c(C)cccc1C(C)C CC(C)[*:1] COC(=O)[C@H](C)CNC(=O)Nc1c(C)cccc1[*:1]
COC(=O)[C@H](C)CNC(=O)Nc1c(C)cccc1C(C)C COC(=O)[C@H](C)[*:1] Cc1cccc(c1NC(=O)NC[*:1])C(C)C
COC(=O)[C@H](C)CNC(=O)Nc1c(C)cccc1C(C)C COC(=O)[C@H](C)C[*:1] Cc1cccc(c1NC(=O)N[*:1])C(C)C
COC(=O)[C@H](C)CNC(=O)Nc1c(C)cccc1C(C)C COC(=O)[*:1] Cc1cccc(c1NC(=O)NC[C@@H](C)[*:1])C(C)C
CC1=C([C@@H]2C=C(c3ccsc3)N=N2)[C@@H](N)C(=O)N=N1 c1cc(cs1)[*:1] CC1N=NC(=O)[C@H](N)C=1[C@@H]1C=C(N=N1)[*:1]
CCNC(=O)N[C@@H]1CN(Cc2ccncc2Cl)C[C@@H]1OC CCNC(=O)N[*:1] CO[C@H]1CN(Cc2ccncc2Cl)C[C@H]1[*:1]
CCNC(=O)N[C@@H]1CN(Cc2ccncc2Cl)C[C@@H]1OC Clc1cnccc1[*:1] CCNC(=O)N[C@@H]1CN(C[C@@H]1OC)C[*:1]
CCOCc1ccc(C(=O)N2CCC(O)(Cn3cc[nH+]c3C)CC2)cc1 CCOC[*:1] Cc1[nH+]ccn1CC1(O)CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCOCc1ccc(C(=O)N2CCC(O)(Cn3cc[nH+]c3C)CC2)cc1 CCO[*:1] Cc1[nH+]ccn1CC1(O)CCN(CC1)C(=O)c1ccc(cc1)C[*:1]
CC[C@H]1CN(C(=O)[C@@H](C)OCC(F)(F)F)CC[C@H]1c1ccccc1 C[C@@H](OCC(F)(F)F)[*:1] CC[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)[*:1]
CC[C@H]1CN(C(=O)[C@@H](C)OCC(F)(F)F)CC[C@H]1c1ccccc1 FC(F)(F)C[*:1] CC[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)[C@@H](C)O[*:1]
CC[C@H]1CN(C(=O)[C@@H](C)OCC(F)(F)F)CC[C@H]1c1ccccc1 FC(F)(F)CO[*:1] CC[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)[C@@H](C)[*:1]
CC[C@H]1CN(C(=O)[C@@H](C)OCC(F)(F)F)CC[C@H]1c1ccccc1 FC(F)(F)[*:1] CC[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)[C@@H](C)OC[*:1]
CC[C@H]1CN(C(=O)[C@@H](C)OCC(F)(F)F)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@@H]1[*:1])C(=O)[C@@H](C)OCC(F)(F)F
C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1 Cc1nn(C)c(C)c1[*:1] C=CCNC(=O)Nc1ccc(cc1)N[C@H](C)C(=O)N[*:1]
C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1 C=CC[*:1] Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Nc1ccc(cc1)NC(=O)N[*:1]
C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1 C=CCNC(=O)N[*:1] Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Nc1ccc(cc1)[*:1]
S=c1[nH]c2cc(Br)cnc2n1[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] S=c1[nH]c2cc(Br)cnc2n1[C@H]1C[C@@H]1[*:1]
CCn1c(C(=O)NCCC(C)C)c(N2CCCC2=O)c2cc(OC)ccc21 CC(C)CCNC(=O)[*:1] CCn1c(c(c2cc(ccc21)OC)N1CCCC1=O)[*:1]
CCn1c(C(=O)NCCC(C)C)c(N2CCCC2=O)c2cc(OC)ccc21 CC(C)[*:1] CCn1c(C(=O)NCC[*:1])c(c2cc(ccc21)OC)N1CCCC1=O
CCn1c(C(=O)NCCC(C)C)c(N2CCCC2=O)c2cc(OC)ccc21 O=C1CCCN1[*:1] CCn1c(C(=O)NCCC(C)C)c(c2cc(ccc21)OC)[*:1]
CCn1c(C(=O)NCCC(C)C)c(N2CCCC2=O)c2cc(OC)ccc21 CC(C)C[*:1] CCn1c(C(=O)NC[*:1])c(c2cc(ccc21)OC)N1CCCC1=O
CCn1c(C(=O)NCCC(C)C)c(N2CCCC2=O)c2cc(OC)ccc21 CC(C)CC[*:1] CCn1c(C(=O)N[*:1])c(c2cc(ccc21)OC)N1CCCC1=O
CCOc1ccc(F)c(C(=O)Nc2ccncc2)c1F c1cc(ccn1)[*:1] CCOc1ccc(F)c(C(=O)N[*:1])c1F
CCOc1ccc(F)c(C(=O)Nc2ccncc2)c1F CCO[*:1] O=C(Nc1ccncc1)c1c(F)ccc(c1F)[*:1]
CNC(=O)c1cccc(NCC(=O)N[C@H]2CCCC[C@H]2C)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NCC(=O)N[C@H]1CCCC[C@H]1C
O=C([O-])[C@@H]1CCc2[nH]ncc2C1 O=C([O-])[*:1] c1n[nH]c2CC[C@H](Cc12)[*:1]
COCCn1nc(C)c(CNc2cc(C)ccc2[N+](=O)[O-])c1C COCC[*:1] Cc1ccc(c(c1)NCc1c(C)nn(c1C)[*:1])[N+](=O)[O-]
COCCn1nc(C)c(CNc2cc(C)ccc2[N+](=O)[O-])c1C COC[*:1] Cc1ccc(c(c1)NCc1c(C)nn(C[*:1])c1C)[N+](=O)[O-]
COCCn1nc(C)c(CNc2cc(C)ccc2[N+](=O)[O-])c1C O=[N+]([O-])[*:1] COCCn1nc(C)c(CNc2cc(C)ccc2[*:1])c1C
COCCN(Cc1cccnc1)C(=O)Nc1cc(C(C)(C)C)on1 c1cncc(c1)[*:1] COCCN(C[*:1])C(=O)Nc1cc(on1)C(C)(C)C
COCCN(Cc1cccnc1)C(=O)Nc1cc(C(C)(C)C)on1 COCC[*:1] CC(C)(C)c1cc(no1)NC(=O)N(Cc1cccnc1)[*:1]
COCCN(Cc1cccnc1)C(=O)Nc1cc(C(C)(C)C)on1 CC(C)(C)[*:1] COCCN(Cc1cccnc1)C(=O)Nc1cc(on1)[*:1]
COCCN(Cc1cccnc1)C(=O)Nc1cc(C(C)(C)C)on1 c1cncc(c1)C[*:1] COCCN(C(=O)Nc1cc(on1)C(C)(C)C)[*:1]
COCCN(Cc1cccnc1)C(=O)Nc1cc(C(C)(C)C)on1 COC[*:1] CC(C)(C)c1cc(no1)NC(=O)N(Cc1cccnc1)C[*:1]
C[C@@H](C(=O)NC(=O)NC1CCCC1)[n+]1ccc2ccccc2c1 C1CCC(C1)[*:1] C[C@@H](C(=O)NC(=O)N[*:1])[n+]1ccc2ccccc2c1
CN(Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C(=O)c1ccncc1 c1cc(ccn1)[*:1] CN(Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C(=O)[*:1]
CN(Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C(=O)c1ccncc1 Clc1ccc(cc1)OC[*:1] CN(Cc1nc2ccccc2n1C[*:1])C(=O)c1ccncc1
CN(Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C(=O)c1ccncc1 Clc1ccc(cc1)O[*:1] CN(Cc1nc2ccccc2n1CC[*:1])C(=O)c1ccncc1
CN(Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C(=O)c1ccncc1 CN(C(=O)c1ccncc1)[*:1] Clc1ccc(cc1)OCCn1c(C[*:1])nc2ccccc21
CN(Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C(=O)c1ccncc1 Clc1ccc(cc1)OCC[*:1] CN(Cc1nc2ccccc2n1[*:1])C(=O)c1ccncc1
CN(Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C(=O)c1ccncc1 Clc1ccc(cc1)[*:1] CN(Cc1nc2ccccc2n1CCO[*:1])C(=O)c1ccncc1
O=C(Nc1ccccn1)c1cc2ccccc2o/c1=[NH+]\c1ccccc1F O=C(Nc1ccccn1)[*:1] Fc1ccccc1/[NH+]=c1\oc2ccccc2cc1[*:1]
O=C(Nc1ccccn1)c1cc2ccccc2o/c1=[NH+]\c1ccccc1F c1ccc(nc1)[*:1] O=C(N[*:1])c1cc2ccccc2o/c1=[NH+]\c1ccccc1F
O=C(Nc1ccccn1)c1cc2ccccc2o/c1=[NH+]\c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1ccccn1)c1cc2ccccc2oc1=[NH+][*:1]
COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(Cl)c3)n2)c1 Clc1cccc(c1)[*:1] COc1ccc(OC)c(c1)-c1csc(n1)NC(=O)[*:1]
Cc1nc(NC(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)oc1C c1ccc(cc1)[*:1] Cc1nc(NC(=O)N[C@@H](C)CN2CCN(CC2)[*:1])oc1C
Cc1nc(NC(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)oc1C Cc1nc(oc1C)[*:1] C[C@@H](CN1CCN(CC1)c1ccccc1)NC(=O)N[*:1]
CCS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)o2)cc1 CCS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)o1
CCS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)o2)cc1 Clc1ccc(o1)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COCCn1cc(NC(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)cn1 COCC[*:1] O=C(Nc1cnn(c1)[*:1])N[C@H]1C=C[C@@H](C1)C(=O)[O-]
COCCn1cc(NC(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)cn1 O=C([O-])[*:1] COCCn1cc(cn1)NC(=O)N[C@H]1C=C[C@H](C1)[*:1]
COCCn1cc(NC(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)cn1 COC[*:1] O=C(Nc1cnn(c1)C[*:1])N[C@H]1C=C[C@@H](C1)C(=O)[O-]
Cc1ccccc1NC(=O)NC(=O)CC#N N#CC[*:1] Cc1ccccc1NC(=O)NC(=O)[*:1]
CC(C)Sc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 C1CC1[*:1] CC(C)Sc1ccc(cc1)CC(=O)Nc1ccc2CCN(Cc2c1)C(=O)[*:1]
CC(C)Sc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 CC(C)S[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccc2CCN(Cc2c1)C(=O)C1CC1
CC(C)Sc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)S[*:1])Nc1ccc2CCN(Cc2c1)C(=O)C1CC1
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Nc1cnn(C(C)C)c1 CC(C)[*:1] COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Nc1cnn(c1)[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Nc1cnn(C(C)C)c1 COC(=O)[*:1] CC(C)n1cc(cn1)NC(=O)N[C@H]1CCCCC[C@@H]1[*:1]
O=C([O-])[C@H]1CCCCN1C(=O)N1CCOCC1 O=C([O-])[*:1] O=C(N1CCOCC1)N1CCCC[C@@H]1[*:1]
COc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCc2ccco2)c1OC c1coc(c1)CC[*:1] COc1cccc(c1OC)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
COc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCc2ccco2)c1OC COc1cccc(c1OC)[*:1] O=C(CCc1ccco1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1[*:1]
COc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCc2ccco2)c1OC c1coc(c1)[*:1] COc1cccc(c1OC)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)CC[*:1]
COc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCc2ccco2)c1OC c1coc(c1)C[*:1] COc1cccc(c1OC)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)C[*:1]
Cc1cc(NC(=O)C[NH2+][C@@H]2CCc3nc(C)nn3C2)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1nc2CC[C@H](Cn2n1)[NH2+]CC(=O)N[*:1]
O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1scnc1C1CC1 C1CC1[*:1] O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1scnc1[*:1]
O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1scnc1C1CC1 c1ccc(cc1)[*:1] O=C(N[C@@H](c1cccc(F)c1)[*:1])c1scnc1C1CC1
O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1scnc1C1CC1 Fc1cccc(c1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1scnc1C1CC1
CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)CCCO OCCC[*:1] CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)[*:1]
CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)CCCO OCC[*:1] CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)C[*:1]
c1csc([C@@H]([NH2+]CCc2nc3c(s2)CCCC3)C2CC2)c1 C1CC1[*:1] c1csc(c1)[C@@H]([NH2+]CCc1nc2CCCCc2s1)[*:1]
c1csc([C@@H]([NH2+]CCc2nc3c(s2)CCCC3)C2CC2)c1 c1csc(c1)[*:1] C1CCc2sc(CC[NH2+][C@@H](C3CC3)[*:1])nc2C1
O=C(CSc1cccs1)OCc1ccccc1 c1csc(c1)[*:1] O=C(CS[*:1])OCc1ccccc1
Cc1csc(CNC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)n1 Cc1csc(n1)[*:1] O=C(NC[*:1])c1ccc(Cl)c(c1)N1CCCC1=O
Cc1csc(CNC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)n1 Cc1csc(C[*:1])n1 O=C(N[*:1])c1ccc(Cl)c(c1)N1CCCC1=O
Cc1csc(CNC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)n1 O=C1CCCN1[*:1] Cc1csc(CNC(=O)c2ccc(Cl)c(c2)[*:1])n1
CC[NH+]1CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)CC1 COC(=O)[*:1] CC[NH+]1CCN(CC1)C(=O)c1ccc(cc1)-n1[nH]c(cc1=O)C[*:1]
CC[NH+]1CCN(C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)CC1 COC(=O)C[*:1] CC[NH+]1CCN(CC1)C(=O)c1ccc(cc1)-n1[nH]c(cc1=O)[*:1]
C[NH2+][C@H](c1cc(C)c(F)c(C)c1)[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] C[NH2+][C@H](c1cc(C)c(F)c(C)c1)[*:1]
COC[C@@H](C)NC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O COC[C@@H](C)[*:1] C[C@H](C(=O)N[*:1])N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
COC[C@@H](C)NC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O COC[*:1] C[C@H](C(=O)N[C@H](C)[*:1])N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)N1CCC1 O=C(N[*:1])N1CCC1 Fc1ccc(cc1)[C@H](Cn1cnc2ccccc21)[*:1]
O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)N1CCC1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](Cn1cnc2ccccc21)[*:1])N1CCC1
CCc1nn(C)cc1NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 CCc1nn(C)cc1[*:1] Cc1ccc(cc1)[C@H]1OCCC[C@H]1CNC(=O)N[*:1]
CCc1nn(C)cc1NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)NC[C@@H]1CCCO[C@H]1[*:1]
CC[NH2+]CCCc1c(C)nn(Cc2ccccc2Br)c1C Brc1ccccc1[*:1] CC[NH2+]CCCc1c(C)nn(C[*:1])c1C
CC1CCN(C(=O)[C@@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)CC1 CC1CCN(CC1)C(=O)[*:1] O=C(NCc1ccc2OCOc2c1)N1CCC[C@H](C1)[*:1]
CC1CCN(C(=O)[C@@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)CC1 c1cc2OCOc2cc1[*:1] CC1CCN(CC1)C(=O)[C@@H]1CCCN(C1)C(=O)NC[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc3c(c2)OCO3)c1 C1CO[C@H](C1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc2OCOc2c1
COc1cccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@@H]1[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc3c(c2)OCO3)c1 COc1cccc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc3OCOc3c2)N1C[C@H]1CCCO1
COc1cccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc3c(c2)OCO3)c1 C1CO[C@H](C1)C[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc2OCOc2c1)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc3c(c2)OCO3)c1 COc1cccc(c1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2ccc3OCOc3c2)N1C[C@H]1CCCO1)[*:1]
[O-]c1c([C@@H](Nc2cccc[nH+]2)c2ccsc2)cc(Cl)c2cccnc12 c1cc(cs1)[*:1] [O-]c1c(cc(Cl)c2cccnc12)[C@@H](Nc1cccc[nH+]1)[*:1]
CCn1c(C)cc(C(=O)NNc2nc(-c3ccncc3)no2)c1C c1cc(ccn1)[*:1] CCn1c(C)cc(C(=O)NNc2nc(no2)[*:1])c1C
C[C@H](C(=O)NCC(F)(F)F)N1CCn2c(nnc2-c2ccccc2)C1 FC(F)(F)C[*:1] C[C@H](C(=O)N[*:1])N1CCn2c(C1)nnc2-c1ccccc1
C[C@H](C(=O)NCC(F)(F)F)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](C(=O)NCC(F)(F)F)N1CCn2c(C1)nnc2[*:1]
C[C@H](C(=O)NCC(F)(F)F)N1CCn2c(nnc2-c2ccccc2)C1 O=C(NCC(F)(F)F)[*:1] C[C@H](N1CCn2c(C1)nnc2-c1ccccc1)[*:1]
C[C@H](C(=O)NCC(F)(F)F)N1CCn2c(nnc2-c2ccccc2)C1 FC(F)(F)[*:1] C[C@H](C(=O)NC[*:1])N1CCn2c(C1)nnc2-c1ccccc1
O=C(COc1cccc2ccccc12)NNC(=O)c1ccco1 c1coc(c1)[*:1] O=C(COc1cccc2ccccc12)NNC(=O)[*:1]
Cc1[nH+]cn(C[C@@H](C)[NH2+][C@H](C)c2csc(C(C)C)n2)c1C CC(C)[*:1] Cc1[nH+]cn(C[C@@H](C)[NH2+][C@H](C)c2csc(n2)[*:1])c1C
C=CCNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]1[C@@H]2C C=CCN[*:1] C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)Cc3sc([nH+]c3[C@@H](C)[C@@H]2[C@H]1O)[*:1]
C=CCNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]1[C@@H]2C C1CC1[*:1] C=CCNc1[nH+]c2c(C[C@@]3(C)CC[C@@H]([C@H](C)C(=O)N[*:1])[C@H](O)[C@H]3[C@@H]2C)s1
C=CCNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]1[C@@H]2C C[C@H](C(=O)NC1CC1)[*:1] C=CCNc1[nH+]c2c(C[C@@]3(C)CC[C@@H]([C@H](O)[C@H]3[C@@H]2C)[*:1])s1
C=CCNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]1[C@@H]2C C=CC[*:1] C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)Cc3sc(N[*:1])[nH+]c3[C@@H](C)[C@@H]2[C@H]1O
C=CCNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]1[C@@H]2C O=C(NC1CC1)[*:1] C=CCNc1[nH+]c2c(C[C@@]3(C)CC[C@H]([C@H](O)[C@H]3[C@@H]2C)[C@H](C)[*:1])s1
CC(C)NC(=O)C(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] CC(C)NC(=O)C(=O)N1CCC[C@@H](C1)C(=O)c1ccc(cc1)O[*:1]
CC(C)NC(=O)C(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 CC(C)[*:1] O=C(N[*:1])C(=O)N1CCC[C@@H](C1)C(=O)c1ccc(cc1)Oc1ccccc1
CC(C)NC(=O)C(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 c1ccc(cc1)O[*:1] CC(C)NC(=O)C(=O)N1CCC[C@@H](C1)C(=O)c1ccc(cc1)[*:1]
O=C(NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C1c2cccc(NC(=S)NC(=O)[*:1])c2C(=O)N1c1ccccc1
O=C(NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cc(Cl)ccc1Cl c1ccc(cc1)[*:1] O=C(NC(=S)Nc1cccc2C(=O)N(C(=O)c12)[*:1])c1cc(Cl)ccc1Cl
O=C1CCCc2ccc(NC(=O)N(Cc3ccccc3F)C3CC3)cc21 Fc1ccccc1[*:1] O=C1CCCc2ccc(cc21)NC(=O)N(C[*:1])C1CC1
O=C1CCCc2ccc(NC(=O)N(Cc3ccccc3F)C3CC3)cc21 Fc1ccccc1C[*:1] O=C1CCCc2ccc(cc21)NC(=O)N(C1CC1)[*:1]
O=C1CCCc2ccc(NC(=O)N(Cc3ccccc3F)C3CC3)cc21 C1CC1[*:1] O=C1CCCc2ccc(cc21)NC(=O)N(Cc1ccccc1F)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N1CCC[C@H]([C@H](C)O)C1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)N1CCC[C@@H](C1)[C@H](C)O)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N1CCC[C@H]([C@H](C)O)C1 C[C@H](O)[*:1] Cc1cn(nc1NC(=O)N1CCC[C@H](C1)[*:1])-c1ccccc1Cl
Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(Br)cc2)c(C)c1 Brc1ccc(cc1)[*:1] Cc1ccc(OCC(=O)N[C@@H](C)[*:1])c(C)c1
C[C@H]1CCCC[C@@H]1N(C)C(=O)CSc1nncs1 c1nnc(S[*:1])s1 C[C@H]1CCCC[C@@H]1N(C)C(=O)C[*:1]
C[C@H]1CCCC[C@@H]1N(C)C(=O)CSc1nncs1 c1nnc(s1)[*:1] C[C@H]1CCCC[C@@H]1N(C)C(=O)CS[*:1]
CO[C@@H]1CCCC[C@H]1OC(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O CC(C)[*:1] CO[C@@H]1CCCC[C@H]1OC(=O)/C=C/c1cc2cnn(c2[nH]c1=O)[*:1]
CC(=O)Nc1ccc(SCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1 CC(=O)N[*:1] C[C@H](NC(=O)CSc1ccc(cc1)[*:1])c1cccc2ccccc12
O=C(NCc1ccco1)c1cccc(NC(=O)c2ccccc2)c1 c1coc(c1)C[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])c1ccccc1
O=C(NCc1ccco1)c1cccc(NC(=O)c2ccccc2)c1 c1coc(c1)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)c1ccccc1
O=C(NCc1ccco1)c1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NCc1ccco1)c1cccc(c1)NC(=O)[*:1]
Cc1cccc(OC[C@@H](O)CNC(=O)NC[C@H]2Cc3ccccc3O2)c1 Cc1cccc(c1)O[*:1] O=C(NC[C@H](O)C[*:1])NC[C@H]1Cc2ccccc2O1
Cc1cccc(OC[C@@H](O)CNC(=O)NC[C@H]2Cc3ccccc3O2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@H](O)CO[*:1])NC[C@H]1Cc2ccccc2O1
CCc1nn(C)c(OC)c1CNC(=O)NC[C@@H]1Cc2ccccc21 c1ccc2c(c1)C[C@H]2[*:1] CCc1nn(C)c(OC)c1CNC(=O)NC[*:1]
CNC(=O)c1ccc(C[S@](=O)[C@H](C)C(=O)Nc2ccccc2F)cc1 Fc1ccccc1[*:1] CNC(=O)c1ccc(cc1)C[S@](=O)[C@H](C)C(=O)N[*:1]
CNC(=O)c1ccc(C[S@](=O)[C@H](C)C(=O)Nc2ccccc2F)cc1 CNC(=O)[*:1] C[C@H](C(=O)Nc1ccccc1F)[S@@](=O)Cc1ccc(cc1)[*:1]
Cc1occc1-c1nc(NCCCc2ccccn2)ncc1-c1cnccn1 c1ccc(C[*:1])nc1 Cc1occc1-c1nc(ncc1-c1cnccn1)NCC[*:1]
Cc1occc1-c1nc(NCCCc2ccccn2)ncc1-c1cnccn1 c1ccc(CC[*:1])nc1 Cc1occc1-c1nc(ncc1-c1cnccn1)NC[*:1]
Cc1occc1-c1nc(NCCCc2ccccn2)ncc1-c1cnccn1 c1ccc(nc1)[*:1] Cc1occc1-c1nc(ncc1-c1cnccn1)NCCC[*:1]
Cc1occc1-c1nc(NCCCc2ccccn2)ncc1-c1cnccn1 Cc1occc1[*:1] c1ccc(CCCNc2ncc(-c3cnccn3)c(n2)[*:1])nc1
Cc1occc1-c1nc(NCCCc2ccccn2)ncc1-c1cnccn1 c1cnc(cn1)[*:1] Cc1occc1-c1nc(ncc1[*:1])NCCCc1ccccn1
Cc1occc1-c1nc(NCCCc2ccccn2)ncc1-c1cnccn1 c1ccc(CCC[*:1])nc1 Cc1occc1-c1nc(ncc1-c1cnccn1)N[*:1]
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 O=[N+]([O-])[*:1] C[C@@H](Sc1ccc(cc1)[*:1])c1ccccc1
O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1ccccc1Br C1CCC(CC1)[*:1] O=C(OCc1cc(=O)n2nc(sc2n1)[*:1])c1ccccc1Br
O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1ccccc1Br Brc1ccccc1[*:1] O=C(OCc1cc(=O)n2nc(sc2n1)C1CCCCC1)[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 Clc1ccc(cc1)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1)[*:1]
CCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)COC COC[C@@H](C)[*:1] CCN(Cc1ccc(c(F)c1)[N+](=O)[O-])[*:1]
CCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)COC COC[*:1] CCN(Cc1ccc(c(F)c1)[N+](=O)[O-])[C@H](C)[*:1]
CCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)COC O=[N+]([O-])[*:1] CCN(Cc1ccc(c(F)c1)[*:1])[C@H](C)COC
O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)c1ccccc1 O=C(C[*:1])c1ccccc1 O=c1c2ncccc2n(c(=O)n1Cc1ccc(Cl)cc1)[*:1]
O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)c1ccccc1 O=C(c1ccccc1)[*:1] O=c1c2ncccc2n(C[*:1])c(=O)n1Cc1ccc(Cl)cc1
O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)c1ccccc1 Clc1ccc(cc1)[*:1] O=C(Cn1c(=O)n(C[*:1])c(=O)c2ncccc21)c1ccccc1
O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)c1ccccc1 Clc1ccc(cc1)C[*:1] O=C(Cn1c(=O)n(c(=O)c2ncccc21)[*:1])c1ccccc1
O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)s1 CC(C)S[*:1] Cc1cnc(s1)[C@H](C)NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)s1 Cc1cnc(s1)[C@H](C)[*:1] CC(C)Sc1ccc(cc1)[C@H](C)NC(=O)N[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)s1 Cc1cnc(s1)[*:1] CC(C)Sc1ccc(cc1)[C@H](C)NC(=O)N[C@@H](C)[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)s1 CC(C)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)N[C@@H](C)c1ccc(cc1)S[*:1]
C[C@@H](OC(=O)c1cc(Br)c(Br)s1)C(=O)N(C)c1ccccc1 Brc1cc(sc1Br)[*:1] C[C@@H](OC(=O)[*:1])C(=O)N(C)c1ccccc1
C[C@@H](OC(=O)c1cc(Br)c(Br)s1)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cc(Br)c(Br)s1)C(=O)N(C)[*:1]
Cc1ccccc1Cn1c(CNC(=O)CCc2ccccc2)nc2ccccc21 c1ccc(cc1)CC[*:1] Cc1ccccc1Cn1c(CNC(=O)[*:1])nc2ccccc21
Cc1ccccc1Cn1c(CNC(=O)CCc2ccccc2)nc2ccccc21 Cc1ccccc1C[*:1] O=C(CCc1ccccc1)NCc1nc2ccccc2n1[*:1]
Cc1ccccc1Cn1c(CNC(=O)CCc2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] Cc1ccccc1Cn1c(CNC(=O)CC[*:1])nc2ccccc21
Cc1ccccc1Cn1c(CNC(=O)CCc2ccccc2)nc2ccccc21 c1ccc(cc1)C[*:1] Cc1ccccc1Cn1c(CNC(=O)C[*:1])nc2ccccc21
Cc1ccccc1Cn1c(CNC(=O)CCc2ccccc2)nc2ccccc21 Cc1ccccc1[*:1] O=C(CCc1ccccc1)NCc1nc2ccccc2n1C[*:1]
C[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 c1csc(c1)C[*:1] C[C@@H](Oc1ccccc1F)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
C[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccs1)[*:1]
C[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1O[*:1] C[C@@H](C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)[*:1]
C[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1
C[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] C[C@@H](Oc1ccccc1F)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1CS(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1C[*:1]
C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1CS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[*:1]
CC(C)n1cnnc1CCNC(=O)c1sccc1OC(F)F FC(F)[*:1] CC(C)n1cnnc1CCNC(=O)c1sccc1O[*:1]
CC(C)n1cnnc1CCNC(=O)c1sccc1OC(F)F CC(C)[*:1] O=C(NCCc1nncn1[*:1])c1sccc1OC(F)F
CC(C)n1cnnc1CCNC(=O)c1sccc1OC(F)F FC(F)O[*:1] CC(C)n1cnnc1CCNC(=O)c1sccc1[*:1]
COCc1cnc2c(c1SC(C)C)c(=O)n(C)c(=O)n2C COC[*:1] CC(C)Sc1c(cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
COCc1cnc2c(c1SC(C)C)c(=O)n(C)c(=O)n2C CC(C)S[*:1] COCc1cnc2c(c1[*:1])c(=O)n(C)c(=O)n2C
COCc1cnc2c(c1SC(C)C)c(=O)n(C)c(=O)n2C CC(C)[*:1] COCc1cnc2c(c1S[*:1])c(=O)n(C)c(=O)n2C
O=C(Nc1ccc(Br)cn1)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 Brc1ccc(nc1)[*:1] O=C(N[*:1])c1cccc(c1)N1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-]
O=C(Nc1ccc(Br)cn1)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(Br)cn1)c1cccc(c1)N1C(=O)c2ccc(cc2C1=O)[*:1]
O=C(Nc1ccc(Br)cn1)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 O=C(Nc1ccc(Br)cn1)[*:1] O=C1c2ccc(cc2C(=O)N1c1cccc(c1)[*:1])[N+](=O)[O-]
O=C(NCCNC(=O)[C@H]1SCCc2sccc21)c1cccnc1 c1cncc(c1)[*:1] O=C(NCCNC(=O)[*:1])[C@H]1SCCc2sccc21
COc1ccc2c(C)c(CC(=O)NCCn3ccc4c(C)cccc43)c(=O)oc2c1OC Cc1cccc2c1ccn2[*:1] COc1ccc2c(C)c(CC(=O)NCC[*:1])c(=O)oc2c1OC
CC(C)(C)c1nc(CN2CCN(C(=O)C3CC=CC3)CC2)cs1 CC(C)(C)[*:1] O=C(C1CC=CC1)N1CCN(CC1)Cc1csc(n1)[*:1]
C=CCN(Cc1cccc(C#N)c1)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 C=CC[*:1] N#Cc1cccc(c1)CN(Cc1c[nH]nc1-c1ccc2OCCOc2c1)[*:1]
C=CCN(Cc1cccc(C#N)c1)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 N#Cc1cccc(c1)[*:1] C=CCN(Cc1c[nH]nc1-c1ccc2OCCOc2c1)C[*:1]
C=CCN(Cc1cccc(C#N)c1)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 N#Cc1cccc(c1)C[*:1] C=CCN(Cc1c[nH]nc1-c1ccc2OCCOc2c1)[*:1]
C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(Cl)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1])c1ccc(F)c(Cl)c1
C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)[*:1]
CC[C@@H](C(=O)NCC#CCN(C)Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)NCC#CCN(C)C[*:1])c1ccccc1
CC[C@@H](C(=O)NCC#CCN(C)Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H](C(=O)NCC#CCN(C)[*:1])c1ccccc1
CC[C@@H](C(=O)NCC#CCN(C)Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)NCC#CCN(C)Cc1ccccc1)[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1ccc(Cl)s1 CCC[*:1] C[C@H](NC(=O)[C@H]1CSCN1C(=O)C[*:1])c1ccc(Cl)s1
CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1ccc(Cl)s1 CCCC[*:1] C[C@H](NC(=O)[C@H]1CSCN1C(=O)[*:1])c1ccc(Cl)s1
CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)[*:1]
Cc1ccccc1-c1noc([C@H]2CCCN2C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)n1 Cc1ccccc1-c1noc(n1)[*:1] O=C(NCC(=O)N1CCC[C@@H]1[*:1])C(c1ccccc1)c1ccccc1
Cc1ccccc1-c1noc([C@H]2CCCN2C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)n1 Cc1ccccc1[*:1] O=C(NCC(=O)N1CCC[C@@H]1c1nc(no1)[*:1])C(c1ccccc1)c1ccccc1
Cc1ccccc1-c1noc([C@H]2CCCN2C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccccc1-c1noc(n1)[C@H]1CCCN1C(=O)CNC(=O)C(c1ccccc1)[*:1]
O=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCc1coc(n1)-c1ccccc1)N[C@@H]1CCN(C1)C[*:1]
O=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1CCN(CC(F)(F)F)C1 c1ccc(cc1)[*:1] O=C(NCc1coc(n1)[*:1])N[C@@H]1CCN(C1)CC(F)(F)F
O=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(NCc1coc(n1)-c1ccccc1)N[C@@H]1CCN(C1)[*:1]
CCCCCC[C@H](C)O[C@@H]1CCC(C)(C)[C@@H]1O CCCC[*:1] C[C@@H](CC[*:1])O[C@@H]1CCC(C)(C)[C@@H]1O
CCCCCC[C@H](C)O[C@@H]1CCC(C)(C)[C@@H]1O CCC[*:1] C[C@@H](CCC[*:1])O[C@@H]1CCC(C)(C)[C@@H]1O
CCCCCC[C@H](C)O[C@@H]1CCC(C)(C)[C@@H]1O CCCCC[*:1] C[C@@H](C[*:1])O[C@@H]1CCC(C)(C)[C@@H]1O
CC(C)(C)n1cnnc1SCC(=O)N1CCNC1=O CC(C)(C)[*:1] O=C(CSc1nncn1[*:1])N1CCNC1=O
COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccco3)cc2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCCN1C(=O)c1ccco1
COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccco3)cc2)c1 c1coc(c1)[*:1] COc1cccc(c1)-c1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)[*:1]
Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1 CC(C)CC[*:1] Cc1ccc(cc1)NC(=O)CSc1nc2ccsc2c(=O)n1[*:1]
Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)CCn1c(nc2ccsc2c1=O)SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1 CC(C)C[*:1] Cc1ccc(cc1)NC(=O)CSc1nc2ccsc2c(=O)n1C[*:1]
Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)CSc1nc2ccsc2c(=O)n1CC[*:1]
COCCN(C(=O)c1cccc(C#N)c1)C1CCN(c2nccc(OC)n2)CC1 COC[*:1] COc1ccnc(n1)N1CCC(CC1)N(C[*:1])C(=O)c1cccc(C#N)c1
COCCN(C(=O)c1cccc(C#N)c1)C1CCN(c2nccc(OC)n2)CC1 COCC[*:1] COc1ccnc(n1)N1CCC(CC1)N(C(=O)c1cccc(C#N)c1)[*:1]
COCCN(C(=O)c1cccc(C#N)c1)C1CCN(c2nccc(OC)n2)CC1 N#Cc1cccc(c1)[*:1] COCCN(C(=O)[*:1])C1CCN(CC1)c1nccc(n1)OC
COCCN(C(=O)c1cccc(C#N)c1)C1CCN(c2nccc(OC)n2)CC1 COc1ccnc(n1)[*:1] COCCN(C(=O)c1cccc(C#N)c1)C1CCN(CC1)[*:1]
N/C(NC[C@H]1CCCO1)=[NH+]\CCc1coc(-c2ccc(F)cc2)n1 C1CO[C@H](C1)C[*:1] N/C(N[*:1])=[NH+]\CCc1coc(n1)-c1ccc(F)cc1
N/C(NC[C@H]1CCCO1)=[NH+]\CCc1coc(-c2ccc(F)cc2)n1 C1CO[C@H](C1)[*:1] N/C(NC[*:1])=[NH+]\CCc1coc(n1)-c1ccc(F)cc1
N/C(NC[C@H]1CCCO1)=[NH+]\CCc1coc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] N/C(NC[C@H]1CCCO1)=[NH+]\CCc1coc(n1)[*:1]
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC Cc1ccc(C)c(c1)[*:1] CCOc1cc(Br)c(/C=C(\C#N)C(=O)N[*:1])cc1OCC
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC CCO[*:1] CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1[*:1]
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC CCO[*:1] CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1[*:1]
Cc1nc(C2CCCC2)sc1C(=O)NCCc1cn2ccccc2n1 C1CCC(C1)[*:1] Cc1nc(sc1C(=O)NCCc1cn2ccccc2n1)[*:1]
Cn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2ccccc2c1=O Clc1ccc(cc1)[*:1] Cn1c(nc2ccccc2c1=O)SCc1nnc(o1)[*:1]
CC(=O)c1cccc(NC(=O)c2cc3nc(C)cc(C)n3n2)c1 CC(=O)[*:1] Cc1cc(C)n2nc(cc2n1)C(=O)Nc1cccc(c1)[*:1]
Cc1csc(=O)n1CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C c1cc(cs1)[*:1] Cc1csc(=O)n1CC(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1csc(=O)n1CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C Cc1csc(=O)n1[*:1] C[NH+](C)[C@@H](CNC(=O)C[*:1])c1ccsc1
CC[NH2+]C[C@](C)(O)COc1c(C)cc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[NH2+]C[C@](C)(O)COc1c(C)cc(Br)cc1[*:1]
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C Fc1ccccc1[*:1] Cc1cccc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])c1C
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1F
O=C(OCCOc1ccccc1)C1CCN(C(=O)c2cccs2)CC1 c1ccc(cc1)OC[*:1] O=C(OC[*:1])C1CCN(CC1)C(=O)c1cccs1
O=C(OCCOc1ccccc1)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(OCCOc1ccccc1)C1CCN(CC1)C(=O)[*:1]
O=C(OCCOc1ccccc1)C1CCN(C(=O)c2cccs2)CC1 c1ccc(cc1)O[*:1] O=C(OCC[*:1])C1CCN(CC1)C(=O)c1cccs1
O=C(OCCOc1ccccc1)C1CCN(C(=O)c2cccs2)CC1 c1ccc(cc1)[*:1] O=C(OCCO[*:1])C1CCN(CC1)C(=O)c1cccs1
Cn1cc(CCC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)cn1 Cn1cc(cn1)[*:1] Clc1ccc(cc1Cl)[C@@H]([NH2+]CCC[*:1])C1CC1
Cn1cc(CCC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)cn1 C1CC1[*:1] Cn1cc(cn1)CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[*:1]
Cn1cc(CCC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)cn1 Cn1cc(cn1)C[*:1] Clc1ccc(cc1Cl)[C@@H]([NH2+]CC[*:1])C1CC1
COC[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)[*:1]
COC[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)c1ccc(F)c(F)c1 CC(C)(C)[*:1] COC[C@H](NC(=O)NC[C@H]1CCO[C@H]1[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)c1ccc(F)c(F)c1 COC[*:1] CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CC(C)C CC(C)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N(C)C[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CC(C)C CC(C)C[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N(C)[*:1]
N#C/C(=C/c1cc2c(cc1Br)OCO2)C(=O)[O-] O=C([O-])[*:1] N#CC(=Cc1cc2OCOc2cc1Br)[*:1]
O=C(OCCN1CCOC1=O)c1ccc2c(c1)Cc1ccccc1-2 O=C1OCCN1C[*:1] O=C(OC[*:1])c1ccc2c(c1)Cc1ccccc1-2
O=C(OCCN1CCOC1=O)c1ccc2c(c1)Cc1ccccc1-2 O=C1OCCN1CC[*:1] O=C(O[*:1])c1ccc2c(c1)Cc1ccccc1-2
O=C(OCCN1CCOC1=O)c1ccc2c(c1)Cc1ccccc1-2 O=C1OCCN1[*:1] O=C(OCC[*:1])c1ccc2c(c1)Cc1ccccc1-2
CCCCCc1ccc(NC(=O)c2cnc(C)cn2)cc1 CCCCC[*:1] Cc1cnc(cn1)C(=O)Nc1ccc(cc1)[*:1]
CCCCCc1ccc(NC(=O)c2cnc(C)cn2)cc1 Cc1cnc(cn1)[*:1] CCCCCc1ccc(cc1)NC(=O)[*:1]
CCCCCc1ccc(NC(=O)c2cnc(C)cn2)cc1 CCC[*:1] Cc1cnc(cn1)C(=O)Nc1ccc(cc1)CC[*:1]
CCCCCc1ccc(NC(=O)c2cnc(C)cn2)cc1 CCCC[*:1] Cc1cnc(cn1)C(=O)Nc1ccc(cc1)C[*:1]
O=[S@@](Cc1cc(Cl)c2c(c1)OCCO2)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=[S@@](Cc1cc(Cl)c2OCCOc2c1)[*:1]
C#CC[C@@H](OC(=O)c1sc(-c2ccc(C)o2)nc1C)c1ccccn1 c1ccc(nc1)[*:1] C#CC[C@@H](OC(=O)c1sc(nc1C)-c1ccc(C)o1)[*:1]
C#CC[C@@H](OC(=O)c1sc(-c2ccc(C)o2)nc1C)c1ccccn1 C#CC[*:1] Cc1ccc(o1)-c1nc(C)c(s1)C(=O)O[C@@H](c1ccccn1)[*:1]
C#CC[C@@H](OC(=O)c1sc(-c2ccc(C)o2)nc1C)c1ccccn1 Cc1ccc(o1)[*:1] C#CC[C@@H](OC(=O)c1sc(nc1C)[*:1])c1ccccn1
Cc1ccc(C(C)(C)CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)(CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccc(C(C)(C)CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)C(C)(C)CC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(C(C)(C)CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(C)(C)CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(C(C)(C)CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 Cc1ccc(cc1)C(C)(C)[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
CC(C)c1csc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n1 CC(C)[*:1] O=C(Cc1ccc(cc1)-n1cnnn1)Nc1nc(cs1)[*:1]
CC(C)c1csc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n1 c1nnnn1[*:1] CC(C)c1csc(n1)NC(=O)Cc1ccc(cc1)[*:1]
CCN(Cc1c(F)cccc1Cl)C(=O)C1CCN(C(=O)COC)CC1 Fc1cccc(Cl)c1[*:1] CCN(C[*:1])C(=O)C1CCN(CC1)C(=O)COC
CCN(Cc1c(F)cccc1Cl)C(=O)C1CCN(C(=O)COC)CC1 COC[*:1] CCN(Cc1c(F)cccc1Cl)C(=O)C1CCN(CC1)C(=O)[*:1]
CCc1nsc(N[C@H](c2ccccc2)c2ccncc2)n1 c1ccc(cc1)[*:1] CCc1nsc(n1)N[C@H](c1ccncc1)[*:1]
CCc1nsc(N[C@H](c2ccccc2)c2ccncc2)n1 CCc1nsc(n1)[*:1] c1ccc(cc1)[C@@H](N[*:1])c1ccncc1
CCc1nsc(N[C@H](c2ccccc2)c2ccncc2)n1 c1cc(ccn1)[*:1] CCc1nsc(n1)N[C@H](c1ccccc1)[*:1]
Cc1cc(C)n(-c2cncc(NC[C@@H](C)CN3CCOCC3)n2)n1 C1CN(CCO1)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)NC[C@@H](C)C[*:1]
Cc1cc(C)n(-c2cncc(NC[C@@H](C)CN3CCOCC3)n2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNc1cncc(n1)[*:1])CN1CCOCC1
Cc1cc(C)n(-c2cncc(NC[C@@H](C)CN3CCOCC3)n2)n1 C1CN(CCO1)C[*:1] Cc1cc(C)n(n1)-c1cncc(n1)NC[C@@H](C)[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C c1csc(c1)[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(n1C)[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C Cc1cccc(C)c1[*:1] C[C@H](Sc1nnc(-c2cccs2)n1C)C(=O)N[*:1]
COc1ccc(CNc2ccc(Cl)c(C#N)n2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])CNc1ccc(Cl)c(C#N)n1
CCCCC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1 CCC[*:1] O=C1N=C(C[*:1])N=C2S[C@H]3CCCCC3=C12
CCCCC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1 CCCC[*:1] O=C1N=C(N=C2S[C@H]3CCCCC3=C12)[*:1]
Cc1ccc([C@@H]2CN(C(=O)CCC3CC3)C[C@H]2NC(=O)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@@H]1CN(C[C@H]1[*:1])C(=O)CCC1CC1)C1CC1
Cc1ccc([C@@H]2CN(C(=O)CCC3CC3)C[C@H]2NC(=O)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]1CN(C[C@H]1NC(=O)[*:1])C(=O)CCC1CC1
Cc1ccc([C@@H]2CN(C(=O)CCC3CC3)C[C@H]2NC(=O)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]1CN(C[C@H]1NC(=O)C1CC1)C(=O)CC[*:1]
Cc1ccc([C@@H]2CN(C(=O)CCC3CC3)C[C@H]2NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 Cc1ccc(cc1)[C@@H]1CN(C[C@@H]1[*:1])C(=O)CCC1CC1
Cc1ccc([C@@H]2CN(C(=O)CCC3CC3)C[C@H]2NC(=O)C2CC2)cc1 C1CC1CC[*:1] Cc1ccc(cc1)[C@@H]1CN(C[C@H]1NC(=O)C1CC1)C(=O)[*:1]
Cc1ccc([C@@H]2CN(C(=O)CCC3CC3)C[C@H]2NC(=O)C2CC2)cc1 C1CC1C[*:1] Cc1ccc(cc1)[C@@H]1CN(C[C@H]1NC(=O)C1CC1)C(=O)C[*:1]
C[C@@H](NC(=O)[C@](C)(N)C(F)(F)F)c1cccc(Cl)c1 FC(F)(F)[*:1] C[C@@H](NC(=O)[C@](C)(N)[*:1])c1cccc(Cl)c1
CCN(CC)C(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CCN(CC)C(=O)N1CCC(CC1)C(=O)N[*:1]
CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cccn2)C1 c1cnn(c1)[*:1] CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](C1)[*:1]
O=C(Nc1cc(C2CCCCCC2)[nH]n1)c1cnc([C@H]2CCCO2)s1 C1CCCC(CC1)[*:1] O=C(Nc1cc([nH]n1)[*:1])c1cnc(s1)[C@H]1CCCO1
CC(=O)N1CCN(Cc2cc(N3CCC[C@@H](C(=O)N(C)C)C3)cc[nH+]2)CC1 CN(C)C(=O)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N1CCC[C@@H](C1)[*:1]
CC(=O)N1CCN(Cc2cc(N3CCC[C@@H](C(=O)N(C)C)C3)cc[nH+]2)CC1 CC(=O)N1CCN(CC1)[*:1] CN(C)C(=O)[C@@H]1CCCN(C1)c1cc[nH+]c(c1)C[*:1]
O=[N+]([O-])c1ccc(N2CC[C@](O)(C(F)(F)F)C2)cn1 O=[N+]([O-])[*:1] O[C@@]1(CCN(C1)c1ccc(nc1)[*:1])C(F)(F)F
O=[N+]([O-])c1ccc(N2CC[C@](O)(C(F)(F)F)C2)cn1 FC(F)(F)[*:1] O=[N+]([O-])c1ccc(cn1)N1CC[C@](O)(C1)[*:1]
CC[NH2+][C@H]([C@@H]1CC[C@H](C)C1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[NH2+][C@H]([C@@H]1CC[C@H](C)C1)[C@@H]1CCC[C@H](C1)[*:1]
CC[NH2+][C@H]([C@@H]1CC[C@H](C)C1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 C[C@H]1CC[C@H](C1)[*:1] CC[NH2+][C@H]([C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc2c(c1)CCC2 O=C(Nc1ccccc1)[*:1] O=C(COc1ccccc1[*:1])Nc1ccc2CCCc2c1
O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] O=C(COc1ccccc1C(=O)Nc1ccccc1)N[*:1]
O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc2c(c1)CCC2 c1ccc(cc1)[*:1] O=C(COc1ccccc1C(=O)N[*:1])Nc1ccc2CCCc2c1
CC(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 CC(=O)[*:1] N#C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1cccc(Cl)c1Cl
Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(cc1F)NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1C Cc1ccc(cc1F)[*:1] Cc1ccc(cc1C)-n1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
COc1cccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CC[NH+](C)C)c1OC c1coc(c1)[*:1] COc1cccc(c1OC)[C@@H]1/C(C(=O)C(=O)N1CC[NH+](C)C)=C(\O)[*:1]
CCC(CC)([NH2+]Cc1ccc(I)cc1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)([NH2+]Cc1ccc(I)cc1)[*:1]
Cc1nc2nc3c(c(N4CCC(Cc5ccccc5)CC4)n2n1)CCC3 c1ccc(cc1)[*:1] Cc1nc2nc3CCCc3c(N3CCC(CC3)C[*:1])n2n1
Cc1nc2nc3c(c(N4CCC(Cc5ccccc5)CC4)n2n1)CCC3 c1ccc(cc1)C[*:1] Cc1nc2nc3CCCc3c(N3CCC(CC3)[*:1])n2n1
Cc1ccc(CN(C)C(=O)NCC(=O)Nc2ccc(Cl)cc2)s1 Cc1ccc(s1)[*:1] CN(C[*:1])C(=O)NCC(=O)Nc1ccc(Cl)cc1
Cc1ccc(CN(C)C(=O)NCC(=O)Nc2ccc(Cl)cc2)s1 Cc1ccc(C[*:1])s1 CN(C(=O)NCC(=O)Nc1ccc(Cl)cc1)[*:1]
Cc1ccc(CN(C)C(=O)NCC(=O)Nc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1ccc(CN(C)C(=O)NCC(=O)N[*:1])s1
C[C@@H](Oc1cccc(F)c1)C(=O)N1CCc2c(sc(N)c2C#N)C1 Fc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N1CCc2c(C1)sc(N)c2C#N
C[C@@H](Oc1cccc(F)c1)C(=O)N1CCc2c(sc(N)c2C#N)C1 Fc1cccc(c1)O[*:1] C[C@@H](C(=O)N1CCc2c(C1)sc(N)c2C#N)[*:1]
C=CCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@H]2c1ccc(OCC)c(OC)c1 C=CC[*:1] CCOc1ccc(cc1OC)[C@@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)S[*:1]
C=CCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@H]2c1ccc(OCC)c(OC)c1 CCO[*:1] C=CCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@H]2c1ccc(c(c1)OC)[*:1]
NNC(=O)[C@H]1CC[C@H](CSc2cc(F)ccc2N)O1 NNC(=O)[*:1] Nc1ccc(F)cc1SC[C@H]1CC[C@@H](O1)[*:1]
CCC[NH2+][C@H](CC)[C@H](C)c1ccc(F)cc1F CCC[*:1] CC[C@@H]([NH2+][*:1])[C@H](C)c1ccc(F)cc1F
CC(C)CNC(=O)c1c(N)cnn1C CC(C)[*:1] Cn1ncc(N)c1C(=O)NC[*:1]
CC(C)CNC(=O)c1c(N)cnn1C CC(C)C[*:1] Cn1ncc(N)c1C(=O)N[*:1]
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NN1CCOCC1 O=C(NN1CCOCC1)[*:1] Fc1ccc(cc1)-c1[nH]c2ccccc2c1CC[*:1]
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NN1CCOCC1 Fc1ccc(cc1)[*:1] O=C(CCc1c([nH]c2ccccc12)[*:1])NN1CCOCC1
O=C(NCc1ccccc1F)c1cccn1-c1nnc(N2CCCC2)s1 Fc1ccccc1[*:1] O=C(NC[*:1])c1cccn1-c1nnc(s1)N1CCCC1
O=C(NCc1ccccc1F)c1cccn1-c1nnc(N2CCCC2)s1 Fc1ccccc1C[*:1] O=C(N[*:1])c1cccn1-c1nnc(s1)N1CCCC1
O=C(NCc1ccccc1F)c1cccn1-c1nnc(N2CCCC2)s1 C1CCN(C1)[*:1] O=C(NCc1ccccc1F)c1cccn1-c1nnc(s1)[*:1]
CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 CCNC(=O)C(C#N)=C[*:1] O=S(=O)(c1cccc(c1)-c1nn(cc1[*:1])-c1ccccc1)N1CCCC1
CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 CCNC(=O)[*:1] N#CC(=Cc1cn(nc1-c1cccc(c1)S(=O)(=O)N1CCCC1)-c1ccccc1)[*:1]
CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] CCNC(=O)/C(C#N)=C\c1cn(nc1-c1cccc(c1)[*:1])-c1ccccc1
CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 c1ccc(cc1)[*:1] CCNC(=O)/C(C#N)=C\c1cn(nc1-c1cccc(c1)S(=O)(=O)N1CCCC1)[*:1]
C=CCNC(=O)NC(=O)COc1cccc(I)c1 C=CC[*:1] O=C(COc1cccc(I)c1)NC(=O)N[*:1]
COc1ccc2c(c1)=[NH+][C@@H](C(=O)NCCN1CC[NH+](C)CC1)C=2Sc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] COc1ccc2=C([C@@H]([NH+]=c2c1)C(=O)NCCN1CC[NH+](C)CC1)[*:1]
COc1ccc2c(c1)=[NH+][C@@H](C(=O)NCCN1CC[NH+](C)CC1)C=2Sc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc2=C(S[*:1])[C@@H]([NH+]=c2c1)C(=O)NCCN1CC[NH+](C)CC1
COc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2ccc(OC)c(OC)c2)CO3)C1=O COc1ccccc1[*:1] COc1ccc(cc1OC)CCN1COc2ccc3C(=O)C(=C[*:1])Oc3c2C1
COc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2ccc(OC)c(OC)c2)CO3)C1=O COc1ccc(cc1OC)C[*:1] COc1ccccc1/C=C1\Oc2c(ccc3OCN(Cc32)C[*:1])C1=O
COc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2ccc(OC)c(OC)c2)CO3)C1=O COc1ccc(cc1OC)[*:1] COc1ccccc1/C=C1\Oc2c(ccc3OCN(CC[*:1])Cc32)C1=O
O=C(Nc1ccon1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O O=[N+]([O-])[*:1] O=C(Nc1ccon1)c1cccn(Cc2cccc(c2)[*:1])c1=O
O=C(Nc1ccon1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O O=C(Nc1ccon1)[*:1] O=c1c(cccn1Cc1cccc(c1)[N+](=O)[O-])[*:1]
O=C(Nc1ccon1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O c1cc(no1)[*:1] O=C(N[*:1])c1cccn(Cc2cccc(c2)[N+](=O)[O-])c1=O
Cc1ccccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] Cc1ccccc1OC(=O)c1cc(ccc1Cl)[*:1]
CS(=O)(=O)CC[S@](=O)CCCC1CCCC1 C1CCC(C1)[*:1] CS(=O)(=O)CC[S@](=O)CCC[*:1]
CS(=O)(=O)CC[S@](=O)CCCC1CCCC1 CS(=O)(=O)[*:1] O=[S@](CCCC1CCCC1)CC[*:1]
CS(=O)(=O)CC[S@](=O)CCCC1CCCC1 CS(=O)(=O)C[*:1] O=[S@](CCCC1CCCC1)C[*:1]
CC[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(C)cc1 NC(=O)[*:1] CC[C@H]([NH2+]Cc1cccc(c1)[*:1])c1ccc(C)cc1
CC[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H]([NH2+]Cc1cccc(c1)C(N)=O)[*:1]
Cc1ccc(CN2CCC3(CC2)C(=O)NCCC[NH+]3C)n1-c1cccnc1 c1cncc(c1)[*:1] Cc1ccc(CN2CCC3(CC2)C(=O)NCCC[NH+]3C)n1[*:1]
C[C@@H]1CCC[C@H](NC(=O)CCc2nc(-c3ncccn3)no2)[C@@H]1C c1cnc(nc1)[*:1] C[C@@H]1CCC[C@H](NC(=O)CCc2nc(no2)[*:1])[C@@H]1C
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(c1)[*:1]
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CC[C@@H](C)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)CCNC(=O)N(C)Cc2ccccc2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)CCNC(=O)N(C)Cc1ccccc1
CC(=O)c1ccc(NC(=O)CCNC(=O)N(C)Cc2ccccc2)cc1C c1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1C)NC(=O)CCNC(=O)N(C)[*:1]
CC(=O)c1ccc(NC(=O)CCNC(=O)N(C)Cc2ccccc2)cc1C c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)CCNC(=O)N(C)C[*:1]
Cc1oc(-c2cccs2)nc1CC(=O)N1c2ccccc2[C@@H](C(N)=O)C[C@H]1C c1csc(c1)[*:1] Cc1oc(nc1CC(=O)N1c2ccccc2[C@H](C[C@H]1C)C(N)=O)[*:1]
Cc1oc(-c2cccs2)nc1CC(=O)N1c2ccccc2[C@@H](C(N)=O)C[C@H]1C NC(=O)[*:1] Cc1oc(nc1CC(=O)N1c2ccccc2[C@@H](C[C@H]1C)[*:1])-c1cccs1
C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 c1coc(c1)[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)[*:1]
Cn1nc2n(c1=O)CC[NH+](Cc1nc(CCc3ccccc3)no1)C2 c1ccc(cc1)CC[*:1] Cn1nc2C[NH+](CCn2c1=O)Cc1nc(no1)[*:1]
Cn1nc2n(c1=O)CC[NH+](Cc1nc(CCc3ccccc3)no1)C2 c1ccc(cc1)C[*:1] Cn1nc2C[NH+](CCn2c1=O)Cc1nc(C[*:1])no1
Cn1nc2n(c1=O)CC[NH+](Cc1nc(CCc3ccccc3)no1)C2 c1ccc(cc1)[*:1] Cn1nc2C[NH+](CCn2c1=O)Cc1nc(CC[*:1])no1
COC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(C(C)=O)c(C)c1 CC(C)C[*:1] COC(=O)N[C@H](C(=O)Nc1ccc(C(C)=O)c(C)c1)[*:1]
COC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(C(C)=O)c(C)c1 CC(C)[*:1] COC(=O)N[C@H](C[*:1])C(=O)Nc1ccc(C(C)=O)c(C)c1
COC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(C(C)=O)c(C)c1 COC(=O)N[*:1] CC(=O)c1ccc(cc1C)NC(=O)[C@@H](CC(C)C)[*:1]
COC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(C(C)=O)c(C)c1 CC(=O)[*:1] COC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(c(C)c1)[*:1]
COC(=O)c1c(SCc2cc(C)on2)nc(=O)[nH]c1C COC(=O)[*:1] Cc1cc(CSc2nc(=O)[nH]c(C)c2[*:1])no1
COC(=O)c1c(SCc2cc(C)on2)nc(=O)[nH]c1C Cc1cc(no1)[*:1] COC(=O)c1c(nc(=O)[nH]c1C)SC[*:1]
Cc1cnn(C[C@H]2CCCCN2C(=O)c2ccc(C)o2)c1 Cc1cnn(c1)[*:1] Cc1ccc(o1)C(=O)N1CCCC[C@@H]1C[*:1]
Cc1cnn(C[C@H]2CCCCN2C(=O)c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] Cc1cnn(c1)C[C@H]1CCCCN1C(=O)[*:1]
Cc1cnn(C[C@H]2CCCCN2C(=O)c2ccc(C)o2)c1 Cc1cnn(c1)C[*:1] Cc1ccc(o1)C(=O)N1CCCC[C@@H]1[*:1]
CC(=O)c1cccc(NC(=O)/C=C/c2nc3ccccc3o2)c1 CC(=O)[*:1] O=C(/C=C/c1nc2ccccc2o1)Nc1cccc(c1)[*:1]
CC(=O)Nc1ccc(C)cc1OS(=O)(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(=O)Nc1ccc(C)cc1OS(=O)(=O)C[*:1]
CC(=O)Nc1ccc(C)cc1OS(=O)(=O)Cc1cccc(F)c1 CC(=O)N[*:1] Cc1ccc(c(c1)OS(=O)(=O)Cc1cccc(F)c1)[*:1]
C[C@H]1CC(C(=O)N2CCCC[C@@H]2CN2CCCC2=O)C[C@H](C)O1 O=C1CCCN1[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCCC[C@@H]1C[*:1]
C[C@H]1CC(C(=O)N2CCCC[C@@H]2CN2CCCC2=O)C[C@H](C)O1 O=C1CCCN1C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCCC[C@H]1[*:1]
CC(=O)c1ccc(NC(=O)NCCC(=O)Nc2cccc(C)n2)cc1C Cc1cccc(n1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)NCCC(=O)N[*:1]
CC(=O)c1ccc(NC(=O)NCCC(=O)Nc2cccc(C)n2)cc1C CC(=O)[*:1] Cc1cccc(n1)NC(=O)CCNC(=O)Nc1ccc(c(C)c1)[*:1]
Oc1ccc([C@@](O)(Cc2ccccc2)c2ccccc2)cc1 Oc1ccc(cc1)[*:1] O[C@@](Cc1ccccc1)(c1ccccc1)[*:1]
Oc1ccc([C@@](O)(Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Oc1ccc(cc1)[C@@](O)(C[*:1])c1ccccc1
Oc1ccc([C@@](O)(Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)C[*:1] Oc1ccc(cc1)[C@@](O)(c1ccccc1)[*:1]
Oc1ccc([C@@](O)(Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Oc1ccc(cc1)[C@@](O)(Cc1ccccc1)[*:1]
Cc1cc(=O)n(CC(=O)N[C@@H](C)C(C)C)cc1N CC(C)[C@H](C)[*:1] Cc1cc(=O)n(cc1N)CC(=O)N[*:1]
Cc1cc(=O)n(CC(=O)N[C@@H](C)C(C)C)cc1N CC(C)[*:1] Cc1cc(=O)n(cc1N)CC(=O)N[C@@H](C)[*:1]
COC(=O)NCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 COC(=O)NC[*:1] O=C(Nc1nc(cs1)-c1ccc2ccccc2c1)[*:1]
COC(=O)NCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 COC(=O)N[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc2ccccc2c1
Cc1cc(N2CCN(C(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)nc(C)[nH+]1 C1CC1[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1cc(N2CCN(C(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)nc(C)[nH+]1 O=C(NC1CC1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](Sc1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 c1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)NNC(=O)c1csc(n1)N1CCOCC1
C[C@H](Sc1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 C1CN(CCO1)[*:1] C[C@H](Sc1ccccc1)C(=O)NNC(=O)c1csc(n1)[*:1]
C[C@H](Sc1ccccc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 c1ccc(cc1)S[*:1] C[C@H](C(=O)NNC(=O)c1csc(n1)N1CCOCC1)[*:1]
Cc1cc(F)c(N)cc1S(=O)(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)N[*:1]
COc1ccc([C@@H](O)CC#N)cc1Br N#CC[*:1] COc1ccc(cc1Br)[C@@H](O)[*:1]
CCC1=C(C(=O)OC)[C@@H](c2cc(OC)ccc2OC)n2nnnc2N1 COC(=O)[*:1] CCC1Nc2nnnn2[C@@H](C=1[*:1])c1cc(ccc1OC)OC
CC1=NC(=O)[C@@H](CCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C(C)=N1 O=C(Nc1ccc(F)cc1)[*:1] CC1=NC(=O)[C@@H](CCC(=O)N2CCN(CC2)C[*:1])C(C)=N1
CC1=NC(=O)[C@@H](CCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C(C)=N1 Fc1ccc(cc1)[*:1] CC1=NC(=O)[C@@H](CCC(=O)N2CCN(CC2)CC(=O)N[*:1])C(C)=N1
Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(OC(F)F)cc3)ccc12 FC(F)O[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)Nc1ccc(cc1)[*:1]
Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(OC(F)F)cc3)ccc12 FC(F)[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)Nc1ccc(cc1)O[*:1]
C[C@H](CNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)N[C@@H](c1ccc2OCCOc2c1)C1CC1)[*:1]
C[C@H](CNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)N[C@@H](c1ccc2OCCOc2c1)C1CC1)C[*:1]
C[C@H](CNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C[C@@H](C)O C1CC1[*:1] C[C@H](CNC(=O)N[C@@H](c1ccc2OCCOc2c1)[*:1])C[C@@H](C)O
CCCCCO[C@@H]1CCC(C)(C)[C@H]1[NH2+]C CCCC[*:1] C[NH2+][C@H]1[C@@H](CCC1(C)C)OC[*:1]
CCCCCO[C@@H]1CCC(C)(C)[C@H]1[NH2+]C CCC[*:1] C[NH2+][C@H]1[C@@H](CCC1(C)C)OCC[*:1]
CCCCCO[C@@H]1CCC(C)(C)[C@H]1[NH2+]C CCCCC[*:1] C[NH2+][C@H]1[C@@H](CCC1(C)C)O[*:1]
Cc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(C(=O)[O-])c1O O=C([O-])[*:1] Cc1cc(cc(c1O)[*:1])NC(=O)COc1cc(C)c(Cl)c(C)c1
Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(cc1CO[*:1])[C@H]1C(C#N)=C(N)OC2CCCC(=O)C=21
Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] Cc1sc(cc1C[*:1])[C@H]1C(C#N)=C(N)OC2CCCC(=O)C=21
Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1 Fc1ccc(cc1)OC[*:1] Cc1sc(cc1[*:1])[C@H]1C(C#N)=C(N)OC2CCCC(=O)C=21
Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(CNC(=O)N2CC[C@@H](C)C[C@H]2C)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CNC(=O)N1CC[C@@H](C)C[C@H]1C
C[C@@H](OC(=O)c1cccc(F)c1)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@@H](OC(=O)c1cccc(F)c1)[*:1]
CC[C@H](c1ccncc1)N(CC)C(=O)[C@@H](C)Cc1c(C)n[nH]c1C c1cc(ccn1)[*:1] CC[C@H](N(CC)C(=O)[C@@H](C)Cc1c(C)n[nH]c1C)[*:1]
CC[C@H](c1ccncc1)N(CC)C(=O)[C@@H](C)Cc1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] CC[C@H](c1ccncc1)N(CC)C(=O)[C@@H](C)C[*:1]
CC[C@H](c1ccncc1)N(CC)C(=O)[C@@H](C)Cc1c(C)n[nH]c1C Cc1n[nH]c(C)c1C[*:1] CC[C@H](c1ccncc1)N(CC)C(=O)[C@@H](C)[*:1]
Cn1cnc(CNC(=O)C(=O)Nc2ccccc2CN2CCc3ccccc32)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1CN1CCc2ccccc21
Cn1cnc(CNC(=O)C(=O)Nc2ccccc2CN2CCc3ccccc32)n1 c1ccc2c(c1)CCN2[*:1] Cn1cnc(CNC(=O)C(=O)Nc2ccccc2C[*:1])n1
CC(C)(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 CC(C)(C)C(=O)N[*:1] C[C@]1(NC(=O)N(CC(=O)c2ccc(cc2)[*:1])C1=O)c1ccco1
CC(C)(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 CC(C)(C)[*:1] C[C@]1(NC(=O)N(CC(=O)c2ccc(cc2)NC(=O)[*:1])C1=O)c1ccco1
CC(C)(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 c1coc(c1)[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
C[C@@H](CS)CSCCS(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](CS)CSCC[*:1]
C[C@@H](CS)CSCCS(C)(=O)=O C[C@@H](CS)[*:1] CS(=O)(=O)CCSC[*:1]
Cc1noc([C@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] Cc1noc(n1)[C@H](C)NC(=O)c1ccccc1-c1ccc(cc1)[*:1]
Cc1noc([C@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 Cc1noc(n1)[*:1] C[C@H](NC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F)[*:1]
CCCCn1c(N)c(N(C)C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c(=O)[nH]c1=O CCC[*:1] CN(C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCCCn1c(N)c(N(C)C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c(=O)[nH]c1=O CCCC[*:1] CN(C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)c1c(N)n(c(=O)[nH]c1=O)[*:1]
Cc1ccc(OC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)OC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(OC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)O[*:1]
O=c1ccc(Br)cn1C/C([O-])=N/S(=O)(=O)CCCF FCCC[*:1] O=c1ccc(Br)cn1C/C([O-])=N/S(=O)(=O)[*:1]
O=c1ccc(Br)cn1C/C([O-])=N/S(=O)(=O)CCCF FCC[*:1] O=c1ccc(Br)cn1C/C([O-])=N/S(=O)(=O)C[*:1]
CC(C)(C)[NH2+]Cc1cnn([C@@H]2CCO[C@@]3(CCSC3)C2)c1 CC(C)(C)[NH2+]C[*:1] c1nn(cc1[*:1])[C@@H]1CCO[C@@]2(CCSC2)C1
CC(C)(C)[NH2+]Cc1cnn([C@@H]2CCO[C@@]3(CCSC3)C2)c1 CC(C)(C)[*:1] c1nn(cc1C[NH2+][*:1])[C@@H]1CCO[C@@]2(CCSC2)C1
CCOC(=O)c1ccccc1NC(=O)c1cccnc1 c1cncc(c1)[*:1] CCOC(=O)c1ccccc1NC(=O)[*:1]
CCOC(=O)c1ccccc1NC(=O)c1cccnc1 CCOC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1cccnc1
CC[C@H](Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])c1nccs1 c1csc(n1)[*:1] CC[C@H](Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[*:1]
CC[C@H](Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])c1nccs1 O=[N+]([O-])[*:1] CC[C@H](Nc1cc(Cl)c(Cl)cc1[*:1])c1nccs1
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1 O=C(N[*:1])c1ccc(cc1)[N+](=O)[O-] Fc1ccccc1N1CCN(CC1)[C@H](C[*:1])c1ccc2OCOc2c1
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NC[C@H](c1ccc2OCOc2c1)N1CCN(CC1)c1ccccc1F)[*:1]
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1 c1cc2OCOc2cc1[*:1] O=C(NC[C@H](N1CCN(CC1)c1ccccc1F)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1 Fc1ccccc1[*:1] O=C(NC[C@H](c1ccc2OCOc2c1)N1CCN(CC1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NC[C@H](c1ccc2OCOc2c1)N1CCN(CC1)c1ccccc1F)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)[C@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1 Cc1ccc(cc1)[*:1] C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[*:1]
O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc2ccc(F)cc2s1 Fc1ccccc1[*:1] O=C(CCc1ncc(o1)[*:1])Nc1nc2ccc(F)cc2s1
C[NH+](C)C[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[NH+](C)C[C@@H]1CCCCN1C(=O)COc1ccc(cc1)[*:1]
CC(C)CN(c1ncccc1C[NH2+]C1CC1)C1CCCC1 C1CC1[*:1] CC(C)CN(c1ncccc1C[NH2+][*:1])C1CCCC1
CC(C)CN(c1ncccc1C[NH2+]C1CC1)C1CCCC1 CC(C)C[*:1] c1cnc(c(c1)C[NH2+]C1CC1)N(C1CCCC1)[*:1]
CC(C)CN(c1ncccc1C[NH2+]C1CC1)C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(c1ncccc1C[NH2+]C1CC1)[*:1]
CC(C)CN(c1ncccc1C[NH2+]C1CC1)C1CCCC1 CC(C)[*:1] c1cnc(c(c1)C[NH2+]C1CC1)N(C[*:1])C1CCCC1
O=C(Nc1nncs1)c1ccc(N2CCCCC2=O)cc1 O=C1CCCCN1[*:1] O=C(Nc1nncs1)c1ccc(cc1)[*:1]
O=C(Nc1nncs1)c1ccc(N2CCCCC2=O)cc1 c1nnc(s1)[*:1] O=C(N[*:1])c1ccc(cc1)N1CCCCC1=O
O=C(C[C@@H]1C=CCC1)N1CCCC[C@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C(C[C@@H]1C=CCC1)N1CCCC[C@@H]1[*:1]
O=C(C[C@@H]1C=CCC1)N1CCCC[C@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C(C[C@@H]1C=CCC1)N1CCCC[C@H]1C[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)c1ncccc1C(F)(F)F c1ccc(nc1)[*:1] C[C@@H](N(C)C(=O)c1ncccc1C(F)(F)F)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)c1ncccc1[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2=O)cc1OC COc1ccc(cc1OC)[*:1] O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1nc(Cc2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1nc(C[*:1])no1
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1nc(Cc2ccccc2)no1 c1ccc(cc1)C[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1nc(no1)[*:1]
CC(=O)N1CCN(CC[NH2+]Cc2cn(C)nc2-c2cccs2)CC1 c1csc(c1)[*:1] CC(=O)N1CCN(CC[NH2+]Cc2cn(C)nc2[*:1])CC1
C/C(=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1cccc(O)c1 Clc1ccc(c(Cl)c1)[*:1] C/C(=N/NC(=O)[C@@H](C)O[*:1])c1cccc(O)c1
C/C(=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1cccc(O)c1 Oc1cccc(c1)[*:1] CC(=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)[*:1]
C[C@@H]1C[C@H](NC(=O)CCC2CC2)CN1c1ccccc1 C1CC1[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)CC[*:1]
C[C@@H]1C[C@H](NC(=O)CCC2CC2)CN1c1ccccc1 C1CC1CC[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)[*:1]
C[C@@H]1C[C@H](NC(=O)CCC2CC2)CN1c1ccccc1 C1CC1C[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)C[*:1]
C[C@@H]1C[C@H](NC(=O)CCC2CC2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)CCC1CC1
COc1nn(C)cc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 COc1nn(C)cc1[*:1] O=C(c1ccccc1)N1CCc2ccc(cc2C1)NC(=O)[*:1]
COc1nn(C)cc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 c1ccc(cc1)[*:1] COc1nn(C)cc1C(=O)Nc1ccc2CCN(Cc2c1)C(=O)[*:1]
CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccccc2N2CCCCC2)CC1 C1CCN(CC1)[*:1] CC(=O)NC1(CC[NH+](CC1)Cc1ccccc1[*:1])c1ccccc1F
CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccccc2N2CCCCC2)CC1 Fc1ccccc1[*:1] CC(=O)NC1(CC[NH+](CC1)Cc1ccccc1N1CCCCC1)[*:1]
CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccccc2N2CCCCC2)CC1 CC(=O)N[*:1] Fc1ccccc1C1(CC[NH+](CC1)Cc1ccccc1N1CCCCC1)[*:1]
COC(=O)C[C@H](NC(=O)C[C@H]1OCCc2ccccc21)C1CC1 C1CC1[*:1] COC(=O)C[C@H](NC(=O)C[C@H]1OCCc2ccccc21)[*:1]
COC(=O)C[C@H](NC(=O)C[C@H]1OCCc2ccccc21)C1CC1 COC(=O)C[*:1] O=C(C[C@H]1OCCc2ccccc21)N[C@H](C1CC1)[*:1]
COC(=O)C[C@H](NC(=O)C[C@H]1OCCc2ccccc21)C1CC1 COC(=O)[*:1] O=C(C[C@H]1OCCc2ccccc21)N[C@@H](C[*:1])C1CC1
Cn1cc(CCC(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cn1 Cn1cc(cn1)CC[*:1] O=C(Nc1ccc(cc1)OC(=O)[*:1])c1cccs1
Cn1cc(CCC(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])Oc1ccc(cc1)NC(=O)c1cccs1
Cn1cc(CCC(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cn1 O=C(N[*:1])c1cccs1 Cn1cc(cn1)CCC(=O)Oc1ccc(cc1)[*:1]
Cn1cc(CCC(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cn1 c1csc(c1)[*:1] Cn1cc(cn1)CCC(=O)Oc1ccc(cc1)NC(=O)[*:1]
Cn1cc(CCC(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cn1 Cn1cc(cn1)C[*:1] O=C(C[*:1])Oc1ccc(cc1)NC(=O)c1cccs1
Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C4CCOCC4)C3)c(-c3ccncc3)c2c1 c1cc(ccn1)[*:1] Cc1ccc2[nH]c(c(c2c1)[*:1])[C@@H]1CCCN(C1)C(=O)C1CCOCC1
Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C4CCOCC4)C3)c(-c3ccncc3)c2c1 C1CC(CCO1)[*:1] Cc1ccc2[nH]c(c(-c3ccncc3)c2c1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1nc(C2CCCC2)sc1C(=O)Nc1nc2c(s1)COCC2 C1CCC(C1)[*:1] Cc1nc(sc1C(=O)Nc1nc2CCOCc2s1)[*:1]
CCN1CCN(C(=O)CCc2ccccc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O c1ccc(cc1)CC[*:1] CCN1CCN(C[C@H](Cc2cccc(c2)-c2cccnc2)C1=O)C(=O)[*:1]
CCN1CCN(C(=O)CCc2ccccc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O c1ccc(cc1)[*:1] CCN1CCN(C[C@H](Cc2cccc(c2)-c2cccnc2)C1=O)C(=O)CC[*:1]
CCN1CCN(C(=O)CCc2ccccc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O c1ccc(cc1)C[*:1] CCN1CCN(C[C@H](Cc2cccc(c2)-c2cccnc2)C1=O)C(=O)C[*:1]
CCN1CCN(C(=O)CCc2ccccc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O c1cncc(c1)[*:1] CCN1CCN(C[C@H](Cc2cccc(c2)[*:1])C1=O)C(=O)CCc1ccccc1
CSc1ncc(NC(=O)[C@@H](C)Br)cn1 C[C@@H](Br)[*:1] CSc1ncc(cn1)NC(=O)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nncs1 c1nnc(s1)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N[*:1]
COCCN1C(N)=[NH+]C[C@H]1c1cc(Cl)ccc1Br COCC[*:1] NC1=[NH+]C[C@@H](c2cc(Cl)ccc2Br)N1[*:1]
COCCN1C(N)=[NH+]C[C@H]1c1cc(Cl)ccc1Br COC[*:1] NC1=[NH+]C[C@@H](c2cc(Cl)ccc2Br)N1C[*:1]
CC1CC[NH+](CC(=O)NC(=O)Nc2ccccc2F)CC1 Fc1ccccc1[*:1] CC1CC[NH+](CC1)CC(=O)NC(=O)N[*:1]
Cc1cc(N(C)C)cc([C@H]2CCC[NH2+]C2)[nH+]1 CN(C)[*:1] Cc1cc(cc([nH+]1)[C@H]1CCC[NH2+]C1)[*:1]
CCCc1noc(CN(C)[C@@H]2CS(=O)(=O)c3ccccc32)n1 CCC[*:1] CN(Cc1nc(no1)[*:1])[C@@H]1CS(=O)(=O)c2ccccc21
C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[*:1]
C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C[*:1]
O=C1c2ccccc2[C@H]2CCCCC[C@H]2N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1c2ccccc2[C@H]2CCCCC[C@H]2N1[*:1]
O=C1c2ccccc2[C@H]2CCCCC[C@H]2N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2[C@H]2CCCCC[C@H]2N1C[*:1]
COC(=O)[C@]1(F)CCN(C(=O)[C@H](C)Oc2cccc(C(C)C)c2)C1 COC(=O)[*:1] CC(C)c1cccc(c1)O[C@@H](C)C(=O)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)[C@H](C)Oc2cccc(C(C)C)c2)C1 CC(C)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)[C@H](C)Oc1cccc(c1)[*:1]
CC(C)(C)CCC(=O)Oc1ccc(C#N)cc1 CC(C)(C)C[*:1] N#Cc1ccc(cc1)OC(=O)C[*:1]
CC(C)(C)CCC(=O)Oc1ccc(C#N)cc1 CC(C)(C)[*:1] N#Cc1ccc(cc1)OC(=O)CC[*:1]
C[C@@H](NC(=O)NCC1(C)Cc2ccccc2C1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NCC1(C)Cc2ccccc2C1)C(=O)N[*:1]
O=C([O-])CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 Clc1ccccc1[*:1] O=C([O-])CCC(=O)Nc1ccc(cc1)O[*:1]
O=C([O-])CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 O=C([O-])CC[*:1] O=C(Nc1ccc(cc1)Oc1ccccc1Cl)[*:1]
O=C([O-])CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 O=C([O-])C[*:1] O=C(C[*:1])Nc1ccc(cc1)Oc1ccccc1Cl
O=C([O-])CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 O=C([O-])[*:1] O=C(CC[*:1])Nc1ccc(cc1)Oc1ccccc1Cl
COc1ccc(C(=O)c2oc3ccc(OC)cc3c2NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)C(=O)c1oc2ccc(cc2c1[*:1])OC
COc1ccc(C(=O)c2oc3ccc(OC)cc3c2NC(C)=O)cc1 COc1ccc(cc1)[*:1] COc1ccc2oc(C(=O)[*:1])c(NC(C)=O)c2c1
CC(C)CCNC(=S)NNC(=O)[C@H]1C[C@@H]1C CC(C)[*:1] C[C@H]1C[C@@H]1C(=O)NNC(=S)NCC[*:1]
CC(C)CCNC(=S)NNC(=O)[C@H]1C[C@@H]1C C[C@H]1C[C@@H]1[*:1] CC(C)CCNC(=S)NNC(=O)[*:1]
CC(C)CCNC(=S)NNC(=O)[C@H]1C[C@@H]1C CC(C)C[*:1] C[C@H]1C[C@@H]1C(=O)NNC(=S)NC[*:1]
CC(C)CCNC(=S)NNC(=O)[C@H]1C[C@@H]1C CC(C)CC[*:1] C[C@H]1C[C@@H]1C(=O)NNC(=S)N[*:1]
CC(C)Oc1ncc(C(=O)N(Cc2cnn(C)c2)C(C)C)cc1Cl CC(C)O[*:1] CC(C)N(Cc1cnn(C)c1)C(=O)c1cnc(c(Cl)c1)[*:1]
CC(C)Oc1ncc(C(=O)N(Cc2cnn(C)c2)C(C)C)cc1Cl Cn1cc(cn1)[*:1] CC(C)Oc1ncc(cc1Cl)C(=O)N(C[*:1])C(C)C
CC(C)Oc1ncc(C(=O)N(Cc2cnn(C)c2)C(C)C)cc1Cl Cn1cc(cn1)C[*:1] CC(C)Oc1ncc(cc1Cl)C(=O)N(C(C)C)[*:1]
CC(C)Oc1ncc(C(=O)N(Cc2cnn(C)c2)C(C)C)cc1Cl CC(C)[*:1] CC(C)N(Cc1cnn(C)c1)C(=O)c1cnc(O[*:1])c(Cl)c1
CC(C)Oc1ncc(C(=O)N(Cc2cnn(C)c2)C(C)C)cc1Cl CC(C)[*:1] CC(C)Oc1ncc(cc1Cl)C(=O)N(Cc1cnn(C)c1)[*:1]
COC(=O)c1cccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 COC(=O)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)c1cccc(c1)[*:1])[NH+]1CCCC1
COC(=O)c1cccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 Cc1ccc(o1)[*:1] COC(=O)c1cccc(c1)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1nnnn1-c1cc(NC(=O)NCc2cn3ccsc3n2)ccc1F Cc1nnnn1[*:1] O=C(NCc1cn2ccsc2n1)Nc1ccc(F)c(c1)[*:1]
Cc1nnnn1-c1cc(NC(=O)NCc2cn3ccsc3n2)ccc1F c1cn2cc(nc2s1)[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)NC[*:1]
C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] O=[N+]([O-])[*:1] C[C@H]1CN(CC[C@@H]1[NH3+])S(=O)(=O)c1ccc(cc1)[*:1]
CCN(Cc1ccccn1)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1ccc2S[C@H](C)C(=O)Nc2c1
CCN(Cc1ccccn1)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 c1ccc(C[*:1])nc1 CCN(C(=O)c1ccc2S[C@H](C)C(=O)Nc2c1)[*:1]
CCc1n[n-]c([S@](=O)CC(=O)N(CC)C2CCCCC2)n1 C1CCC(CC1)[*:1] CCc1n[n-]c(n1)[S@](=O)CC(=O)N(CC)[*:1]
C/[NH+]=C(/NCC[NH2+]C(C)(C)C)N[C@H]1CCC[C@@H](C)C1 CC(C)(C)[*:1] C/[NH+]=C(/NCC[NH2+][*:1])N[C@H]1CCC[C@@H](C)C1
N#CC1(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CCCCC1 N#CC1(CCCCC1)[*:1] O=C(N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
N#CC1(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CCCCC1 FC(F)(F)[*:1] N#CC1(CCCCC1)C(=O)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
COc1ccccc1NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] COc1ccccc1NC1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
COc1ccccc1NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 COc1ccccc1[*:1] O=[N+]([O-])c1ccc(cc1)C[NH+]1CCC(CC1)N[*:1]
Cc1cc2nc(CSc3ccccc3NS(=O)(=O)c3cc(C)c(C)cc3C)cc(=O)n2o1 Cc1cc(C)c(cc1C)[*:1] Cc1cc2nc(cc(=O)n2o1)CSc1ccccc1NS(=O)(=O)[*:1]
O=C(NCC1(c2ccc(F)cc2F)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 Fc1ccc(c(F)c1)[*:1] O=C(NCC1(CC1)[*:1])N1CC[C@H](C1)[NH+]1CCCC1
N#Cc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)c3cccc(Cl)c3)c3ccccc32)c1 N#Cc1cccc(c1)C[*:1] O=C(c1cccc(Cl)c1)N1CCS[C@]12C(=O)N(c1ccccc12)[*:1]
N#Cc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)c3cccc(Cl)c3)c3ccccc32)c1 Clc1cccc(c1)[*:1] N#Cc1cccc(c1)CN1C(=O)[C@]2(SCCN2C(=O)[*:1])c2ccccc21
N#Cc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)c3cccc(Cl)c3)c3ccccc32)c1 N#Cc1cccc(c1)[*:1] O=C(c1cccc(Cl)c1)N1CCS[C@]12C(=O)N(C[*:1])c1ccccc12
CSCCCCNC(=O)N[C@H](C)c1nnc2ccccn12 CSCCCC[*:1] C[C@@H](NC(=O)N[*:1])c1nnc2ccccn12
CSCCCCNC(=O)N[C@H](C)c1nnc2ccccn12 CSCCC[*:1] C[C@@H](NC(=O)NC[*:1])c1nnc2ccccn12
CSCCCCNC(=O)N[C@H](C)c1nnc2ccccn12 CSCC[*:1] C[C@@H](NC(=O)NCC[*:1])c1nnc2ccccn12
CSCCCCNC(=O)N[C@H](C)c1nnc2ccccn12 CSC[*:1] C[C@@H](NC(=O)NCCC[*:1])c1nnc2ccccn12
COc1ccc(CNC(=O)N[C@@](C)(CO)C2CC2)cc1OC C1CC1[*:1] COc1ccc(cc1OC)CNC(=O)N[C@@](C)(CO)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)CCc1nc(-c2ccncc2)no1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)CCc1nc(no1)-c1ccncc1
C[C@@H](Cc1cccs1)N(C)C(=O)CCc1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)CCc1nc(no1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)CCc1nc(-c2ccncc2)no1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)CCc1nc(no1)-c1ccncc1)[*:1]
COC[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 COC[*:1] C[C@@H]([NH+]1CCN(CC1)Cc1ccc(Cl)s1)[*:1]
COC[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] COC[C@@H](C)[NH+]1CCN(CC1)C[*:1]
CCCC12CN(C(=O)CCl)CC(C)(CN(C(=O)CCl)C1)C2=O CCC[*:1] CC12CN(CC(CN(C1)C(=O)CCl)(C2=O)[*:1])C(=O)CCl
Cc1ccc2c(c1)cc(C(=O)N1CC[C@@H](C(=O)NC3CCCC3)C1)n2C C1CCC(C1)[*:1] Cc1ccc2c(c1)cc(C(=O)N1CC[C@H](C1)C(=O)N[*:1])n2C
Cc1ccc2c(c1)cc(C(=O)N1CC[C@@H](C(=O)NC3CCCC3)C1)n2C O=C(NC1CCCC1)[*:1] Cc1ccc2c(c1)cc(C(=O)N1CC[C@@H](C1)[*:1])n2C
Cc1cccc2sc(N3CCN(C(=O)c4cc(-c5ccco5)on4)CC3)nc12 c1coc(c1)[*:1] Cc1cccc2sc(nc12)N1CCN(CC1)C(=O)c1cc(on1)[*:1]
O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cccc(Cn2cc(Cl)cn2)c1 Clc1cnn(c1)C[*:1] O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cccc(c1)[*:1]
O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cccc(Cn2cc(Cl)cn2)c1 Clc1cnn(c1)[*:1] O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cccc(c1)C[*:1]
[NH3+][C@@H](CC1=C[C@H](S)c2ccccc2C1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@@H](CC1=C[C@H](S)c2ccccc2C1)[*:1]
C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1CCc2ccccc2C1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1nc(cs1)[*:1])N1CCc2ccccc2C1
O=S(=O)(Cc1ccccc1)NC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=S(=O)(Cc1ccccc1)NC1(CCC1)[*:1]
O=S(=O)(Cc1ccccc1)NC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])NC1(CCC1)c1ccccc1
O=S(=O)(Cc1ccccc1)NC1(c2ccccc2)CCC1 c1ccc(cc1)C[*:1] O=S(=O)(NC1(CCC1)c1ccccc1)[*:1]
C[C@H](CC1CCCC1)C(=O)NNc1ccc(F)cc1 C1CCC(C1)C[*:1] C[C@H](C(=O)NNc1ccc(F)cc1)[*:1]
C[C@H](CC1CCCC1)C(=O)NNc1ccc(F)cc1 C1CCC(C1)[*:1] C[C@H](C[*:1])C(=O)NNc1ccc(F)cc1
COc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)NC(=S)NC(=O)[*:1]
CC[C@H](C)CN(CC)C(=O)C(=O)NCC[NH3+] [NH3+]CC[*:1] CC[C@H](C)CN(CC)C(=O)C(=O)N[*:1]
CC[C@H](C)CN(CC)C(=O)C(=O)NCC[NH3+] CC[C@H](C)C[*:1] CCN(C(=O)C(=O)NCC[NH3+])[*:1]
CC[C@H](C)CN(CC)C(=O)C(=O)NCC[NH3+] CC[C@H](C)[*:1] CCN(C[*:1])C(=O)C(=O)NCC[NH3+]
C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1=O O=C(NCC1CC1)[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)N1CCC[C@H](C1)[*:1]
C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1=O C1CC1[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1=O C1CC1C[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COC(=O)CN1C(=O)NC(C2CC2)(C2CC2)C1=O COC(=O)[*:1] O=C1NC(C(=O)N1C[*:1])(C1CC1)C1CC1
COC(=O)CN1C(=O)NC(C2CC2)(C2CC2)C1=O C1CC1[*:1] COC(=O)CN1C(=O)NC(C1=O)(C1CC1)[*:1]
COC(=O)CN1C(=O)NC(C2CC2)(C2CC2)C1=O COC(=O)C[*:1] O=C1NC(C(=O)N1[*:1])(C1CC1)C1CC1
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)[O-])c(O)c1 O=C([O-])[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])Nc1ccc(c(O)c1)[*:1]
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)[O-])c(O)c1 O=[N+]([O-])[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccc(C(=O)[O-])c(O)c1
Cc1oc(-c2cccs2)nc1C(=O)NCCc1cc(F)cc2c1OCOC2 c1csc(c1)[*:1] Cc1oc(nc1C(=O)NCCc1cc(F)cc2COCOc12)[*:1]
O=C([O-])C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C([O-])C[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1]
O=C([O-])C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 O=[N+]([O-])[*:1] O=C([O-])C[C@H](C(=O)Nc1ccc(cc1)[*:1])[C@H]1CCCO1
O=C([O-])C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])[C@@H](C[*:1])[C@H]1CCCO1
C[C@@H]([NH2+]Cc1ccon1)c1ccc2ccccc2c1 c1cc(no1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc2ccccc2c1
O=C(CN(CCO)c1ccccc1)NNC(=O)C1CCC1 c1ccc(cc1)[*:1] O=C(CN(CCO)[*:1])NNC(=O)C1CCC1
O=C(CN(CCO)c1ccccc1)NNC(=O)C1CCC1 OCC[*:1] O=C(CN(c1ccccc1)[*:1])NNC(=O)C1CCC1
O=C(CN(CCO)c1ccccc1)NNC(=O)C1CCC1 C1CC(C1)[*:1] O=C(CN(CCO)c1ccccc1)NNC(=O)[*:1]
CNc1ncccc1C(=O)N(CC#Cc1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] CNc1ncccc1C(=O)N(CC#C[*:1])C1CCCC1
CNc1ncccc1C(=O)N(CC#Cc1ccccc1)C1CCCC1 C1CCC(C1)[*:1] CNc1ncccc1C(=O)N(CC#Cc1ccccc1)[*:1]
CNc1ncccc1C(=O)N(CC#Cc1ccccc1)C1CCCC1 C(#C[*:1])c1ccccc1 CNc1ncccc1C(=O)N(C[*:1])C1CCCC1
CNc1ncccc1C(=O)N(CC#Cc1ccccc1)C1CCCC1 CNc1ncccc1[*:1] O=C(N(CC#Cc1ccccc1)C1CCCC1)[*:1]
C[NH+](C)[C@@H](CNCc1nc2c(s1)CCC2)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@@H](CNCc1nc2CCCc2s1)[*:1]
CCN(CC)c1ccc(C(=O)Nc2ccc3oc(COC)nc3c2)cn1 COC[*:1] CCN(CC)c1ccc(cn1)C(=O)Nc1ccc2oc(nc2c1)[*:1]
CCN(CC)c1ccc(C(=O)Nc2ccc3oc(COC)nc3c2)cn1 CCN(CC)[*:1] COCc1nc2cc(ccc2o1)NC(=O)c1ccc(nc1)[*:1]
CC1CCN(S(=O)(=O)c2ccc(-c3noc(-c4cncc(Br)c4)n3)cc2)CC1 Brc1cncc(c1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1noc(n1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@H](C)OC(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C#N)cc2)cc1 CC(=O)N[*:1] C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(cc1)[*:1]
CCc1ccccc1NC(=S)NC(=O)c1c(OC)cccc1OC CCc1ccccc1[*:1] COc1cccc(OC)c1C(=O)NC(=S)N[*:1]
O=C([O-])COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O O=C([O-])CO[*:1] O=C1/C(=C/c2cccs2)Oc2cc(ccc21)[*:1]
O=C([O-])COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O O=C([O-])[*:1] O=C1/C(=C/c2cccs2)Oc2cc(ccc21)OC[*:1]
O=C([O-])COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O c1csc(c1)[*:1] O=C([O-])COc1ccc2C(=O)C(=C[*:1])Oc2c1
O=C([O-])COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O O=C([O-])C[*:1] O=C1/C(=C/c2cccs2)Oc2cc(ccc21)O[*:1]
C[C@H]1CN(Cc2ccccc2NC(=O)c2ccncc2Cl)C[C@H](C)O1 Clc1cnccc1[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)[*:1])C[C@H](C)O1
Cc1ccccc1NC(=O)[C@@H](C)Sc1nnnn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccccc1NC(=O)[C@@H](C)Sc1nnnn1[*:1]
Cc1ccccc1NC(=O)[C@@H](C)Sc1nnnn1Cc1ccccc1 Cc1ccccc1[*:1] C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)N[*:1]
Cc1ccccc1NC(=O)[C@@H](C)Sc1nnnn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)[C@@H](C)Sc1nnnn1C[*:1]
CN1C(=O)Cc2cc(NC(=O)Nc3ccccc3Cl)ccc21 Clc1ccccc1[*:1] CN1C(=O)Cc2cc(ccc21)NC(=O)N[*:1]
COc1ccccc1[C@H]1C[C@@H](c2ccc(C(C)C)cc2)Nc2ncnn21 CC(C)[*:1] COc1ccccc1[C@H]1C[C@H](Nc2ncnn21)c1ccc(cc1)[*:1]
COc1ccccc1[C@H]1C[C@@H](c2ccc(C(C)C)cc2)Nc2ncnn21 COc1ccccc1[*:1] CC(C)c1ccc(cc1)[C@@H]1C[C@@H](n2ncnc2N1)[*:1]
Cc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3)ncn4C3CC3)C2)ncc1C(=O)N(C)C C1CC1[*:1] Cc1nc(ncc1C(=O)N(C)C)[C@@H]1CCCN(C1)C(=O)c1ccc2c(c1)ncn2[*:1]
Cc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3)ncn4C3CC3)C2)ncc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1nc(ncc1[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc2c(c1)ncn2C1CC1
COc1ccc(NC(=O)C[C@H]2SC(N)=NC2=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)C[C@H]2SC(N)=NC2=O)c(c1)[*:1]
CSc1nc(-c2ccccc2)nc(Sc2ccccc2)c1C#N c1ccc(cc1)[*:1] CSc1nc(nc(S[*:1])c1C#N)-c1ccccc1
CSc1nc(-c2ccccc2)nc(Sc2ccccc2)c1C#N c1ccc(cc1)[*:1] CSc1nc(nc(Sc2ccccc2)c1C#N)[*:1]
CSc1nc(-c2ccccc2)nc(Sc2ccccc2)c1C#N c1ccc(cc1)S[*:1] CSc1nc(nc(c1C#N)[*:1])-c1ccccc1
CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 CC(C)O[*:1] C[NH+]1CCN(CC1)C(=O)c1ccccc1NC(=O)c1ccccc1[*:1]
CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccccc1NC(=O)c1ccccc1O[*:1]
C[n+]1cn(CS(C)(=O)=O)c2ccccc21 CS(=O)(=O)C[*:1] C[n+]1cn(c2ccccc21)[*:1]
C[n+]1cn(CS(C)(=O)=O)c2ccccc21 CS(=O)(=O)[*:1] C[n+]1cn(C[*:1])c2ccccc21
CC(C)c1ccc(CNC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 CC(C)[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)NCc1ccc(cc1)[*:1]
CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(C)c(F)c4)CC3)cc2NC1=O Cc1ccc(cc1F)[*:1] CC[C@H]1Oc2ccc(cc2NC1=O)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)nc(C)n3C)cn1 Cc1ccc(cn1)[*:1] Cc1nc2cc(ccc2n1C)NC(=O)C(=O)NCC[*:1]
Cc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)nc(C)n3C)cn1 Cc1ccc(cn1)C[*:1] Cc1nc2cc(ccc2n1C)NC(=O)C(=O)NC[*:1]
Cc1cc(C)c2nc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(C#N)cc3)sc2c1 N#Cc1ccc(cc1)[*:1] Cc1cc(C)c2nc(sc2c1)N(CC[NH+]1CCOCC1)C(=O)[*:1]
CC[NH+]1CCN(CC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 C[C@@H]1CN(C[C@@H](C)O1)[*:1] CC[NH+]1CCN(CC1)CC(=O)Nc1ccccc1[*:1]
C[C@H]1CCc2c(sc3nc(SCCN4CCOC4=O)n(C[C@H]4CCCO4)c(=O)c23)C1 O=C1OCCN1[*:1] C[C@H]1CCc2c(C1)sc1nc(SCC[*:1])n(C[C@H]3CCCO3)c(=O)c21
C[C@H]1CCc2c(sc3nc(SCCN4CCOC4=O)n(C[C@H]4CCCO4)c(=O)c23)C1 C1CO[C@H](C1)C[*:1] C[C@H]1CCc2c(C1)sc1nc(SCCN3CCOC3=O)n(c(=O)c21)[*:1]
C[C@H]1CCc2c(sc3nc(SCCN4CCOC4=O)n(C[C@H]4CCCO4)c(=O)c23)C1 O=C1OCCN1CCS[*:1] C[C@H]1CCc2c(C1)sc1nc(n(C[C@H]3CCCO3)c(=O)c21)[*:1]
C[C@H]1CCc2c(sc3nc(SCCN4CCOC4=O)n(C[C@H]4CCCO4)c(=O)c23)C1 C1CO[C@H](C1)[*:1] C[C@H]1CCc2c(C1)sc1nc(SCCN3CCOC3=O)n(C[*:1])c(=O)c21
C[C@H]1CCc2c(sc3nc(SCCN4CCOC4=O)n(C[C@H]4CCCO4)c(=O)c23)C1 O=C1OCCN1C[*:1] C[C@H]1CCc2c(C1)sc1nc(SC[*:1])n(C[C@H]3CCCO3)c(=O)c21
C[C@H]1CCc2c(sc3nc(SCCN4CCOC4=O)n(C[C@H]4CCCO4)c(=O)c23)C1 O=C1OCCN1CC[*:1] C[C@H]1CCc2c(C1)sc1nc(S[*:1])n(C[C@H]3CCCO3)c(=O)c21
CC[NH2+]C[C@H]1CCO[C@H]1c1ccc(OCC)cc1 CCO[*:1] CC[NH2+]C[C@H]1CCO[C@H]1c1ccc(cc1)[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)C1 C[C@H]1CCC[C@@H](C1)[*:1] CN(C(=O)NC[C@@H]1CCO[C@@H]1c1ccccc1)[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)NC[C@@H]1CCO[C@H]1[*:1]
Cc1cccc(C(C)C)c1NC(=O)NC[C@H](C)C[NH+]1CCCC1 CC(C)[*:1] Cc1cccc(c1NC(=O)NC[C@H](C)C[NH+]1CCCC1)[*:1]
CC[C@H](CC1CC1)[NH2+][C@@H]1CCCc2ccc(OC)cc21 C1CC1C[*:1] CC[C@H]([NH2+][C@@H]1CCCc2ccc(cc21)OC)[*:1]
CC[C@H](CC1CC1)[NH2+][C@@H]1CCCc2ccc(OC)cc21 C1CC1[*:1] CC[C@H](C[*:1])[NH2+][C@@H]1CCCc2ccc(cc21)OC
CC(C)(C)[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C(N)=O FC(F)(F)[*:1] CC(C)(C)[C@H](NC(=O)c1cccc(c1F)[*:1])C(N)=O
CC(C)(C)[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NC(=O)c1cccc(c1F)C(F)(F)F)[*:1]
CC(C)(C)[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NC(=O)c1cccc(c1F)C(F)(F)F)[*:1]
O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)c2cc3c(cc2N1)OCO3 c1ccc(cc1)[*:1] O=C1C[C@@H](c2cccc(c2)O[*:1])c2cc3OCOc3cc2N1
O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)c2cc3c(cc2N1)OCO3 c1ccc(cc1)O[*:1] O=C1C[C@@H](c2cccc(c2)[*:1])c2cc3OCOc3cc2N1
C[C@@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)CC(F)(F)F FC(F)(F)C[*:1] C[C@@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)[*:1]
C[C@@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)CC(F)(F)F FC(F)(F)[*:1] C[C@@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)C[*:1]
C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)n1cncn1 C[C@@H](n1cncn1)[*:1] O=C(NCc1ccccc1C[NH+]1CCCCC1)[*:1]
C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)[*:1]
CNC(=O)c1ccc(N)cc1SC[C@@H](O)CO OC[C@H](O)[*:1] CNC(=O)c1ccc(N)cc1SC[*:1]
CNC(=O)c1ccc(N)cc1SC[C@@H](O)CO OC[C@H](O)C[*:1] CNC(=O)c1ccc(N)cc1S[*:1]
CNC(=O)c1ccc(N)cc1SC[C@@H](O)CO CNC(=O)[*:1] Nc1ccc(c(c1)SC[C@@H](O)CO)[*:1]
COc1ccc(-n2ccc(C(=O)NC[C@@H](C)c3ccsc3)n2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)-n1ccc(n1)C(=O)NC[C@@H](C)[*:1]
COc1ccc(-n2ccc(C(=O)NC[C@@H](C)c3ccsc3)n2)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccn(n1)[*:1])c1ccsc1
O=C(Cn1ncc2ccccc21)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Cn1ncc2ccccc21)N1CCC(CC1)[*:1]
O=C(Cn1ncc2ccccc21)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1ncc2ccccc21)N1CCC(CC1)C[*:1]
O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCN(CCO)CC1 OCC[*:1] O=C(c1cc(nc2ccccc12)-c1ccccn1)N1CCN(CC1)[*:1]
O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCN(CCO)CC1 c1ccc(nc1)[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCN(CCO)CC1
c1ccc(COc2ccnc(N3CCC(n4cc[nH+]c4)CC3)n2)cc1 c1ccc(cc1)[*:1] c1cc(nc(n1)N1CCC(CC1)n1cc[nH+]c1)OC[*:1]
c1ccc(COc2ccnc(N3CCC(n4cc[nH+]c4)CC3)n2)cc1 c1ccc(cc1)CO[*:1] c1cc(nc(n1)N1CCC(CC1)n1cc[nH+]c1)[*:1]
c1ccc(COc2ccnc(N3CCC(n4cc[nH+]c4)CC3)n2)cc1 c1ccc(cc1)C[*:1] c1cc(nc(n1)N1CCC(CC1)n1cc[nH+]c1)O[*:1]
CCOc1ccc(CNC(=O)[C@H](CC)N2C(=O)CCn3nc(C)cc32)cc1 CCO[*:1] CC[C@@H](C(=O)NCc1ccc(cc1)[*:1])N1C(=O)CCn2nc(C)cc21
CCOc1ccc(CNC(=O)[C@H](CC)N2C(=O)CCn3nc(C)cc32)cc1 CCOc1ccc(cc1)[*:1] CC[C@@H](C(=O)NC[*:1])N1C(=O)CCn2nc(C)cc21
CCn1c([C@@H](C)[NH2+]C[C@@H](C)c2cccs2)nc2ccccc21 c1csc(c1)[*:1] CCn1c(nc2ccccc21)[C@@H](C)[NH2+]C[C@@H](C)[*:1]
CCn1c([C@@H](C)[NH2+]C[C@@H](C)c2cccs2)nc2ccccc21 C[C@@H](c1cccs1)[*:1] CCn1c(nc2ccccc21)[C@@H](C)[NH2+]C[*:1]
O=C([O-])c1cc2sc(Cl)cc2s1 O=C([O-])[*:1] Clc1cc2sc(cc2s1)[*:1]
C[C@@H]1CO[C@H](CO)CN1Cc1cccc(-c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H]1CO[C@H](CO)CN1Cc1cccc(c1)[*:1]
CN(C1CCCC1)S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(C1CCCC1)S(=O)(=O)c1ccc(NN)c(c1)[*:1]
CN(C1CCCC1)S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 C1CCC(C1)[*:1] CN(S(=O)(=O)c1ccc(NN)c(c1)[N+](=O)[O-])[*:1]
COCCn1ccc2ccc(NC(=O)N(C)C[C@H]3CCC[C@@H]3O)cc21 COC[*:1] CN(C[C@H]1CCC[C@@H]1O)C(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)N(C)C[C@H]3CCC[C@@H]3O)cc21 COCC[*:1] CN(C[C@H]1CCC[C@@H]1O)C(=O)Nc1ccc2ccn(c2c1)[*:1]
C[C@H](CC(=O)Nc1cccnc1Cl)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](CC(=O)Nc1cccnc1Cl)c1ccc(cc1)[*:1]
C[C@H](CC(=O)Nc1cccnc1Cl)c1ccc(C(F)(F)F)cc1 Clc1ncccc1[*:1] C[C@H](CC(=O)N[*:1])c1ccc(cc1)C(F)(F)F
Cc1cc(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)n(C)n1 Cc1cccc(c1C)[*:1] Cc1cc(NC(=O)CN2CCN(CC2)[*:1])n(C)n1
Cc1cc(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1cccc(c1C)N1CCN(CC1)CC(=O)N[*:1]
CCNC(=O)NC1(C(=O)NCc2sc(-c3ccccc3)nc2C)CCCC1 c1ccc(cc1)[*:1] CCNC(=O)NC1(CCCC1)C(=O)NCc1sc(nc1C)[*:1]
CCNC(=O)NC1(C(=O)NCc2sc(-c3ccccc3)nc2C)CCCC1 CCNC(=O)N[*:1] Cc1nc(sc1CNC(=O)C1(CCCC1)[*:1])-c1ccccc1
Cc1ccc(NCC(=O)NNC(=O)c2cc(C)on2)c(C)c1 Cc1cc(no1)[*:1] Cc1ccc(NCC(=O)NNC(=O)[*:1])c(C)c1
O=C([O-])Cn1c(SCCc2ccccc2)nc2ccccc21 c1ccc(cc1)C[*:1] O=C([O-])Cn1c(nc2ccccc21)SC[*:1]
O=C([O-])Cn1c(SCCc2ccccc2)nc2ccccc21 O=C([O-])C[*:1] c1ccc(cc1)CCSc1nc2ccccc2n1[*:1]
O=C([O-])Cn1c(SCCc2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] O=C([O-])Cn1c(nc2ccccc21)SCC[*:1]
O=C([O-])Cn1c(SCCc2ccccc2)nc2ccccc21 O=C([O-])[*:1] c1ccc(cc1)CCSc1nc2ccccc2n1C[*:1]
c1nn(C[C@@H]2CCCO2)cc1Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 C1CN(CCO1)C[*:1] c1nn(cc1Nc1nc(nc2sc3CCCCc3c12)[*:1])C[C@@H]1CCCO1
c1nn(C[C@@H]2CCCO2)cc1Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 C1CN(CCO1)[*:1] c1nn(cc1Nc1nc(C[*:1])nc2sc3CCCCc3c12)C[C@@H]1CCCO1
CCN(Cc1cn(CC)nc1C)C(=O)c1ccn([C@@H](C)C(=O)[O-])n1 CCn1cc(c(C)n1)[*:1] CCN(C[*:1])C(=O)c1ccn(n1)[C@@H](C)C(=O)[O-]
CCN(Cc1cn(CC)nc1C)C(=O)c1ccn([C@@H](C)C(=O)[O-])n1 O=C([O-])[*:1] CCN(Cc1cn(CC)nc1C)C(=O)c1ccn(n1)[C@@H](C)[*:1]
CSC(C)(C)C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C CSC(C)(C)[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)[NH2+]C[*:1]
C[NH2+][C@@H](C)c1cccc(SCc2nc(C)cs2)c1 Cc1csc(n1)[*:1] C[NH2+][C@@H](C)c1cccc(c1)SC[*:1]
O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 O=C([O-])[*:1] O=C([C@@H]1CCCC[C@@H]1[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCn1/c(=N/C(=O)C2(CCOC)CC2)[nH]c2cc(Br)ccc21 COCCC1(CC1)[*:1] CCn1/c(=N/C(=O)[*:1])[nH]c2cc(Br)ccc21
CCn1/c(=N/C(=O)C2(CCOC)CC2)[nH]c2cc(Br)ccc21 COCC[*:1] CCn1/c(=N/C(=O)C2(CC2)[*:1])[nH]c2cc(Br)ccc21
CCn1/c(=N/C(=O)C2(CCOC)CC2)[nH]c2cc(Br)ccc21 COC[*:1] CCn1/c(=N/C(=O)C2(CC2)C[*:1])[nH]c2cc(Br)ccc21
CC[C@@H](C)NC(=O)COc1ccc(C)nc1C[C@@H](C)[NH3+] CC[C@@H](C)[*:1] Cc1ccc(OCC(=O)N[*:1])c(C[C@@H](C)[NH3+])n1
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC(=O)N(C1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C1c2cccc(c2C(=O)N1CC(=O)N(C1CCCCC1)[*:1])[N+](=O)[O-]
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC(=O)N(C1CCCCC1)C1CCCCC1 O=[N+]([O-])[*:1] O=C1c2cccc(c2C(=O)N1CC(=O)N(C1CCCCC1)C1CCCCC1)[*:1]
O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc(cc1)[*:1]
CC(C)C[C@H]1COCCN1C(=O)c1ccc(-c2cscn2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)-c1cscn1)N1CCOC[C@@H]1C[*:1]
CC(C)C[C@H]1COCCN1C(=O)c1ccc(-c2cscn2)cc1 CC(C)C[*:1] O=C(c1ccc(cc1)-c1cscn1)N1CCOC[C@@H]1[*:1]
CC(C)C[C@H]1COCCN1C(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] CC(C)C[C@H]1COCCN1C(=O)c1ccc(cc1)[*:1]
CCCCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2C(=O)Nc1cc(C)cc(C)c1 CCC[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)SC[*:1]
CCCCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2C(=O)Nc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] CCCCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2C(=O)N[*:1]
CCCCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2C(=O)Nc1cc(C)cc(C)c1 CCCC[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)S[*:1]
CCOC(=O)[C@@]1(C)[C@H](N(C)C)C(C)(C)S1(=O)=O CN(C)[*:1] CCOC(=O)[C@@]1(C)[C@H](C(C)(C)S1(=O)=O)[*:1]
CCOC(=O)[C@@]1(C)[C@H](N(C)C)C(C)(C)S1(=O)=O CCOC(=O)[*:1] CN(C)[C@@H]1C(C)(C)S(=O)(=O)[C@]1(C)[*:1]
Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C(N)=O)C2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N1CC[C@@H](C1)C(N)=O)[*:1]
Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C(N)=O)C2)c1 NC(=O)[*:1] Cc1ccc(c(c1)N1CC[C@H](C1)[*:1])[N+](=O)[O-]
CNC(=O)c1ccc(CNC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 Cc1nc(cs1)[*:1] CNC(=O)c1ccc(cc1)CNC(=O)Nc1ccc(cc1)[*:1]
CNC(=O)c1ccc(CNC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 CNC(=O)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)NCc1ccc(cc1)[*:1]
c1ccc([C@H](NCCc2nnc3n2CCCCC3)C2CCCC2)cc1 C1CCC(C1)[*:1] c1ccc(cc1)[C@H](NCCc1nnc2CCCCCn21)[*:1]
c1ccc([C@H](NCCc2nnc3n2CCCCC3)C2CCCC2)cc1 c1ccc(cc1)[*:1] C1CCc2nnc(CCN[C@H](C3CCCC3)[*:1])n2CC1
CO[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 FC(F)(F)[*:1] CO[C@H]1CCCN(C1)C(=O)Nc1ccccc1[*:1]
CCOC(=O)c1cn(CC(=O)Nc2cc(C)cc(C)c2)nn1 CCOC(=O)[*:1] Cc1cc(C)cc(c1)NC(=O)Cn1cc(nn1)[*:1]
C[C@@H](NC(=O)c1ccccc1N(C)c1ccccc1)C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)c1ccccc1N(C)c1ccccc1)[*:1]
C[C@@H](NC(=O)c1ccccc1N(C)c1ccccc1)C(N)=O c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1N(C)[*:1])C(N)=O
C[C@@H](NC(=O)c1ccccc1N(C)c1ccccc1)C(N)=O C[C@@H](C(N)=O)[*:1] CN(c1ccccc1)c1ccccc1C(=O)N[*:1]
CC1=C(C(=O)CSc2nnc(C3=c4ccccc4=[NH+]C3)n2C2CC2)C[C@@H](C)N1C1CC1 C1CC1[*:1] CC1=C(C[C@@H](C)N1[*:1])C(=O)CSc1nnc(C2C[NH+]=c3ccccc3=2)n1C1CC1
CC1=C(C(=O)CSc2nnc(C3=c4ccccc4=[NH+]C3)n2C2CC2)C[C@@H](C)N1C1CC1 C1CC1[*:1] CC1=C(C[C@@H](C)N1C1CC1)C(=O)CSc1nnc(C2C[NH+]=c3ccccc3=2)n1[*:1]
Cc1cc(NC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)no1 Cc1cc(no1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)SCC(=O)N[*:1]
Cc1cc(NC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)no1 Cc1cc(no1)[*:1] Cc1cc(no1)NC(=O)CS[C@@H](C)C(=O)N[*:1]
CCN(Cc1ccccn1)C(=O)c1ccc(C#N)cn1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1ccc(C#N)cn1
Cn1ccnc1[C@@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)[*:1]
Cn1ccnc1[C@@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccc(Cl)cc1 Cn1ccnc1[*:1] O=C(Cn1cnc2c(oc3ccccc32)c1=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
O=C(Cc1cccs1)N1CCN(Cc2cc(=O)n3ccsc3[nH+]2)CC1 c1csc(c1)[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2[nH+]1
O=C(Cc1cccs1)N1CCN(Cc2cc(=O)n3ccsc3[nH+]2)CC1 c1csc(c1)C[*:1] O=C(N1CCN(CC1)Cc1cc(=O)n2ccsc2[nH+]1)[*:1]
CN(CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] CN(CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)C[*:1]
CN(CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2s1 c1ccc(cc1)[*:1] CN(CC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1])Cc1nc2ccccc2s1
C#CCNCC(=O)Nc1ccc(S(C)(=O)=O)nc1 C#CCNC[*:1] CS(=O)(=O)c1ccc(cn1)NC(=O)[*:1]
C#CCNCC(=O)Nc1ccc(S(C)(=O)=O)nc1 CS(=O)(=O)[*:1] C#CCNCC(=O)Nc1ccc(nc1)[*:1]
C#CCNCC(=O)Nc1ccc(S(C)(=O)=O)nc1 C#CCN[*:1] CS(=O)(=O)c1ccc(cn1)NC(=O)C[*:1]
C#CCNCC(=O)Nc1ccc(S(C)(=O)=O)nc1 C#CC[*:1] CS(=O)(=O)c1ccc(cn1)NC(=O)CN[*:1]
COCc1nnc(/N=C(\[O-])c2sc(-c3ccc(F)cc3)nc2C)s1 COCc1nnc(s1)[*:1] Cc1nc(sc1C([O-])=N[*:1])-c1ccc(F)cc1
COCc1nnc(/N=C(\[O-])c2sc(-c3ccc(F)cc3)nc2C)s1 COC[*:1] Cc1nc(sc1/C([O-])=N/c1nnc(s1)[*:1])-c1ccc(F)cc1
COCc1nnc(/N=C(\[O-])c2sc(-c3ccc(F)cc3)nc2C)s1 Fc1ccc(cc1)[*:1] COCc1nnc(/N=C(\[O-])c2sc(nc2C)[*:1])s1
CCOC(=O)C1=NC(=S)N[C@@H](c2ccsc2)/C1=C(/[O-])C1CC1 c1cc(cs1)[*:1] CCOC(=O)C1=NC(=S)N[C@@H](/C1=C(/[O-])C1CC1)[*:1]
CCOC(=O)C1=NC(=S)N[C@@H](c2ccsc2)/C1=C(/[O-])C1CC1 C1CC1[*:1] CCOC(=O)C1=NC(=S)N[C@H](/C1=C(/[O-])[*:1])c1ccsc1
CCOC[C@@H]1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 CC(C)[*:1] CCOC[C@@H]1CCN(C1)C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CCOC[C@@H]1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 CCO[*:1] CC(C)[C@@H](NC(=O)N1CC[C@H](C1)C[*:1])c1cccc(c1)C(F)(F)F
CCOC[C@@H]1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 FC(F)(F)[*:1] CCOC[C@@H]1CCN(C1)C(=O)N[C@@H](c1cccc(c1)[*:1])C(C)C
CCOC[C@@H]1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 CCOC[*:1] CC(C)[C@@H](NC(=O)N1CC[C@H](C1)[*:1])c1cccc(c1)C(F)(F)F
CO[C@@H](C)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1[*:1] CO[C@@H](C)C(=O)N1CCN(CC1)C(=O)C[*:1]
CC(C)(C)c1ccc(OCc2ccc(C(=O)NNC(=O)[C@H]3CCCO3)cc2)cc1 CC(C)(C)[*:1] O=C(NNC(=O)[C@H]1CCCO1)c1ccc(cc1)COc1ccc(cc1)[*:1]
O=C(CSc1ccc([N+](=O)[O-])cn1)/N=C1/N=[NH+][C@H](c2ccccc2)S1 c1ccc(cc1)[*:1] O=C(CSc1ccc(cn1)[N+](=O)[O-])/N=C1/N=[NH+][C@H](S1)[*:1]
O=C(CSc1ccc([N+](=O)[O-])cn1)/N=C1/N=[NH+][C@H](c2ccccc2)S1 O=[N+]([O-])[*:1] O=C(CSc1ccc(cn1)[*:1])/N=C1/N=[NH+][C@@H](S1)c1ccccc1
C[C@H]1COCCN1C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1COCCN1C(=O)N[C@@H]1CCCc2c1cnn2[*:1]
C[C@H]1COCCN1C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1COCCN1C(=O)N[C@@H]1CCCc2c1cnn2C[*:1]
Cn1ccc(CN2CCO[C@H](CNc3cccnn3)C2)cc1=O c1cnnc(c1)[*:1] Cn1ccc(cc1=O)CN1CCO[C@H](CN[*:1])C1
Cn1ccc(CN2CCO[C@H](CNc3cccnn3)C2)cc1=O c1cnnc(c1)N[*:1] Cn1ccc(cc1=O)CN1CCO[C@@H](C1)C[*:1]
COc1ccccc1C(=O)N/C(=C/c1ccc(Cl)cc1)C(=O)[O-] Clc1ccc(cc1)[*:1] COc1ccccc1C(=O)NC(=C[*:1])C(=O)[O-]
COc1ccccc1C(=O)N/C(=C/c1ccc(Cl)cc1)C(=O)[O-] O=C([O-])[*:1] COc1ccccc1C(=O)N/C(=C/c1ccc(Cl)cc1)[*:1]
NC(=O)c1cccc(CNC(=O)Cc2c(F)cccc2F)c1 NC(=O)[*:1] O=C(Cc1c(F)cccc1F)NCc1cccc(c1)[*:1]
CCC[C@@]1(C)O[C@]1(C(=O)OC)C(C)C CC(C)[*:1] CCC[C@@]1(C)O[C@@]1(C(=O)OC)[*:1]
CCC[C@@]1(C)O[C@]1(C(=O)OC)C(C)C CCC[*:1] COC(=O)[C@@]1(O[C@@]1(C)[*:1])C(C)C
CCC[C@@]1(C)O[C@]1(C(=O)OC)C(C)C COC(=O)[*:1] CCC[C@@]1(C)O[C@@]1(C(C)C)[*:1]
CCOCCCC(=O)Nc1nc(-c2ccc(N)cc2)cs1 CCOCC[*:1] Nc1ccc(cc1)-c1csc(n1)NC(=O)C[*:1]
CCOCCCC(=O)Nc1nc(-c2ccc(N)cc2)cs1 CCOCCC[*:1] Nc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
CCOCCCC(=O)Nc1nc(-c2ccc(N)cc2)cs1 Nc1ccc(cc1)[*:1] CCOCCCC(=O)Nc1nc(cs1)[*:1]
CCOCCCC(=O)Nc1nc(-c2ccc(N)cc2)cs1 CCO[*:1] Nc1ccc(cc1)-c1csc(n1)NC(=O)CCC[*:1]
CCOCCCC(=O)Nc1nc(-c2ccc(N)cc2)cs1 CCOC[*:1] Nc1ccc(cc1)-c1csc(n1)NC(=O)CC[*:1]
O=C(OCc1cccc2ccccc12)c1cnccn1 c1cnc(cn1)[*:1] O=C(OCc1cccc2ccccc12)[*:1]
CCOc1ccccc1CS(=O)(=O)c1ccccc1C(=O)OC COC(=O)[*:1] CCOc1ccccc1CS(=O)(=O)c1ccccc1[*:1]
CCOc1ccccc1CS(=O)(=O)c1ccccc1C(=O)OC CCO[*:1] COC(=O)c1ccccc1S(=O)(=O)Cc1ccccc1[*:1]
COc1cccc(/C=N/c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1O COc1cccc(c1O)[*:1] O=S(=O)(NC1CCCCC1)c1ccc(cc1)N=C[*:1]
COc1cccc(/C=N/c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1O C1CCC(CC1)[*:1] COc1cccc(/C=N/c2ccc(cc2)S(=O)(=O)N[*:1])c1O
C[C@@H](O/N=C(/N)COc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C c1ccc(cc1)OC[*:1] C[C@@H](O/N=C(/N)[*:1])C(=O)N[C@H]1CCCC[C@H]1C
C[C@@H](O/N=C(/N)COc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C c1ccc(cc1)O[*:1] C[C@@H](O/N=C(/N)C[*:1])C(=O)N[C@H]1CCCC[C@H]1C
C[C@@H](O/N=C(/N)COc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@@H]1[*:1] C[C@@H](O/N=C(/N)COc1ccccc1)C(=O)N[*:1]
C[C@@H](O/N=C(/N)COc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C c1ccc(cc1)[*:1] C[C@@H](O/N=C(/N)CO[*:1])C(=O)N[C@H]1CCCC[C@H]1C
COc1ccc(S(=O)(=O)NCC[C@H]2C=c3ccc(OC)cc3=[NH+]C2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc2=C[C@H](CCNS(=O)(=O)[*:1])C(=O)[NH+]=c2c1
Cc1cscc1CNC1=[NH+]C[C@@H](c2ccccc2)S1 Cc1cscc1[*:1] c1ccc(cc1)[C@@H]1C[NH+]=C(NC[*:1])S1
Cc1cscc1CNC1=[NH+]C[C@@H](c2ccccc2)S1 c1ccc(cc1)[*:1] Cc1cscc1CNC1=[NH+]C[C@@H](S1)[*:1]
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] N#C/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccccc1)[*:1]
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] N#C/C(=C\c1ccc(cc1)OS(=O)(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] N#C/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccccc1)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1N1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 C1CCN(C1)[*:1] O=C(Nc1ccccc1[*:1])N1CCN(CC1)c1cc[nH+]cc1
CCNC(=O)C/C(C)=N/NC(=O)c1ccc(OC)cc1OC CCNC(=O)C[*:1] COc1ccc(C(=O)NN=C(C)[*:1])c(c1)OC
CCNC(=O)C/C(C)=N/NC(=O)c1ccc(OC)cc1OC CCNC(=O)[*:1] COc1ccc(C(=O)N/N=C(\C)C[*:1])c(c1)OC
CCC(=O)Nc1ccccc1OCCCc1ccccc1 CCC(=O)N[*:1] c1ccc(cc1)CCCOc1ccccc1[*:1]
CCC(=O)Nc1ccccc1OCCCc1ccccc1 c1ccc(cc1)C[*:1] CCC(=O)Nc1ccccc1OCC[*:1]
CCC(=O)Nc1ccccc1OCCCc1ccccc1 c1ccc(cc1)[*:1] CCC(=O)Nc1ccccc1OCCC[*:1]
Cc1nc2sc([C@@H](c3ccccc3F)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1 Fc1ccccc1[*:1] Cc1nc2sc(c(O)n2n1)[C@@H](N1CCN(CC1)C(=O)c1ccco1)[*:1]
Cc1nc2sc([C@@H](c3ccccc3F)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1 c1coc(c1)[*:1] Cc1nc2sc(c(O)n2n1)[C@@H](c1ccccc1F)N1CCN(CC1)C(=O)[*:1]
O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1cccc(F)c1 c1cnc(cn1)[*:1] O=S(=O)(NCC1CCN(CC1)[*:1])c1cccc(F)c1
O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=S(=O)(NCC1CCN(CC1)c1cnccn1)[*:1]
COc1ccc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)o2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(cc1)-c1ccccc1
COc1ccc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)o2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(-c2nnc(NC(=O)c3ccc(cc3)[*:1])o2)c(c1)OC
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc2ccccc2c1)[*:1]
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 COc1ccc(cc1[*:1])[N+](=O)[O-] O=C(Nc1ccc2ccccc2c1)c1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 c1ccc2cc(ccc2c1)[*:1] COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1])[N+](=O)[O-]
Cc1ccc2nc(NC(=O)c3ccc(NC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)cc3)sc2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(NC(=O)c3ccc(cc3)NC(=O)[C@H]3CC(=O)N(C3)[*:1])sc2c1
Cc1ccc2nc(NC(=O)c3ccc(NC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)cc3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(S(C)(=O)=O)cc1 Clc1cccc(Cl)c1[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(cc1)S(C)(=O)=O
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(cc1)[*:1]
CCN(Cc1ccccn1)C(=O)Nc1ccc(CN2CCCC2=O)cc1 c1ccc(C[*:1])nc1 CCN(C(=O)Nc1ccc(cc1)CN1CCCC1=O)[*:1]
CCN(Cc1ccccn1)C(=O)Nc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] CCN(Cc1ccccn1)C(=O)Nc1ccc(cc1)C[*:1]
CCN(Cc1ccccn1)C(=O)Nc1ccc(CN2CCCC2=O)cc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)Nc1ccc(cc1)CN1CCCC1=O
CCN(Cc1ccccn1)C(=O)Nc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] CCN(Cc1ccccn1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(NC(=O)NCc2cn3cccc(C)c3[nH+]2)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1cccn2cc(CNC(=O)N[*:1])[nH+]c12
CCN(CCC[NH+]1CCCC1)CC1CC[NH2+]CC1 C1CC(CC[NH2+]1)[*:1] CCN(CCC[NH+]1CCCC1)C[*:1]
Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(c2cc3nccnc3[nH]2)CC1 CC(C)(C)[*:1] Cn1nc(cc1C(=O)N1CCC(CC1)c1cc2nccnc2[nH]1)[*:1]
Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(c2cc3nccnc3[nH]2)CC1 c1cnc2[nH]c(cc2n1)[*:1] Cn1nc(cc1C(=O)N1CCC(CC1)[*:1])C(C)(C)C
CCOC(=O)[C@@H]1CCCN(c2ncnc(Nc3ccccc3Br)c2N)C1 Brc1ccccc1N[*:1] CCOC(=O)[C@@H]1CCCN(C1)c1ncnc(c1N)[*:1]
CCOC(=O)[C@@H]1CCCN(c2ncnc(Nc3ccccc3Br)c2N)C1 CCOC(=O)[*:1] Nc1c(ncnc1N1CCC[C@H](C1)[*:1])Nc1ccccc1Br
CCOC(=O)[C@@H]1CCCN(c2ncnc(Nc3ccccc3Br)c2N)C1 Brc1ccccc1[*:1] CCOC(=O)[C@@H]1CCCN(C1)c1ncnc(N[*:1])c1N
C=CCNC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 C=CC[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)N[*:1])c(C)o1
C=CCNC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 Cc1cc(c(C)o1)[*:1] C=CCNC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(C)c1NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 Cc1cccc(C)c1[*:1] O=C(Cn1nnc(n1)-c1cccc(c1)C(F)(F)F)N[*:1]
Cc1cccc(C)c1NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] Cc1cccc(C)c1NC(=O)Cn1nnc(n1)-c1cccc(c1)[*:1]
Cc1ccc(NC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CC3)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] CS(=O)(=O)N1CCc2ccc(cc21)NC(=O)N[*:1]
COC[C@H](C)Nc1ccc([N+](=O)[O-])nc1 O=[N+]([O-])[*:1] COC[C@H](C)Nc1ccc(nc1)[*:1]
COC[C@H](C)Nc1ccc([N+](=O)[O-])nc1 COC[C@H](C)[*:1] O=[N+]([O-])c1ccc(cn1)N[*:1]
COC[C@H](C)Nc1ccc([N+](=O)[O-])nc1 COC[*:1] C[C@H](Nc1ccc(nc1)[N+](=O)[O-])[*:1]
C[C@@H](OCC(F)(F)F)C(=O)NNC(=O)C(C)(C)C FC(F)(F)CO[*:1] C[C@@H](C(=O)NNC(=O)C(C)(C)C)[*:1]
C[C@@H](OCC(F)(F)F)C(=O)NNC(=O)C(C)(C)C CC(C)(C)[*:1] C[C@@H](OCC(F)(F)F)C(=O)NNC(=O)[*:1]
C[C@@H](OCC(F)(F)F)C(=O)NNC(=O)C(C)(C)C FC(F)(F)[*:1] C[C@@H](OC[*:1])C(=O)NNC(=O)C(C)(C)C
C[C@@H](OCC(F)(F)F)C(=O)NNC(=O)C(C)(C)C FC(F)(F)C[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)C(C)(C)C
CC[C@@H](C)C(=O)N1CCCC[C@H]1C[C@@H](C)O C[C@@H](O)[*:1] CC[C@@H](C)C(=O)N1CCCC[C@H]1C[*:1]
CC[C@@H](C)C(=O)N1CCCC[C@H]1C[C@@H](C)O CC[C@@H](C)[*:1] C[C@@H](O)C[C@@H]1CCCCN1C(=O)[*:1]
CC[C@@H](C)C(=O)N1CCCC[C@H]1C[C@@H](C)O C[C@@H](O)C[*:1] CC[C@@H](C)C(=O)N1CCCC[C@@H]1[*:1]
Cc1nc(Cn2cccc2[C@H](C)O)sc1C C[C@H](O)[*:1] Cc1nc(Cn2cccc2[*:1])sc1C
[O-]c1c([C@H](c2ccco2)[NH+]2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 c1ccc(cc1)C[*:1] [O-]c1c(sc2nc(nn12)-c1ccco1)[C@H](c1ccco1)[NH+]1CCN(CC1)[*:1]
[O-]c1c([C@H](c2ccco2)[NH+]2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 c1ccc(cc1)[*:1] [O-]c1c(sc2nc(nn12)-c1ccco1)[C@H](c1ccco1)[NH+]1CCN(CC1)C[*:1]
[O-]c1c([C@H](c2ccco2)[NH+]2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 c1coc(c1)[*:1] [O-]c1c(sc2nc(nn12)[*:1])[C@H](c1ccco1)[NH+]1CCN(CC1)Cc1ccccc1
[O-]c1c([C@H](c2ccco2)[NH+]2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 c1coc(c1)[*:1] [O-]c1c(sc2nc(nn12)-c1ccco1)[C@H]([NH+]1CCN(CC1)Cc1ccccc1)[*:1]
CC(C)(C)c1ccc(=O)n(CCCOc2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] CC(C)(C)c1ccc(=O)n(CCCOc2ccc(cc2)[*:1])n1
CC(C)(C)c1ccc(=O)n(CCCOc2ccc([N+](=O)[O-])cc2)n1 CC(C)(C)[*:1] O=c1ccc(nn1CCCOc1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](CO)[*:1]
N#Cc1ccc(N2CCC(NC(=O)C[C@@H](O)c3cccc(F)c3)CC2)nc1 Fc1cccc(c1)[*:1] N#Cc1ccc(nc1)N1CCC(CC1)NC(=O)C[C@@H](O)[*:1]
N#Cc1ccc(N2CCC(NC(=O)C[C@@H](O)c3cccc(F)c3)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(C[C@@H](O)c1cccc(F)c1)NC1CCN(CC1)[*:1]
O=C(Cn1c(=O)oc2cc(Cl)ccc21)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(Cn1c(=O)oc2cc(Cl)ccc21)N[*:1]
Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)Nc3cccc4ccccc34)c(=O)c12 O=C(Nc1ccccc1)[*:1] Cc1c(sc2ncn(CC(=O)Nc3cccc4ccccc34)c(=O)c12)[*:1]
Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)Nc3cccc4ccccc34)c(=O)c12 c1ccc2c(cccc2c1)[*:1] Cc1c(sc2ncn(CC(=O)N[*:1])c(=O)c12)C(=O)Nc1ccccc1
Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)Nc3cccc4ccccc34)c(=O)c12 c1ccc(cc1)[*:1] Cc1c(sc2ncn(CC(=O)Nc3cccc4ccccc34)c(=O)c12)C(=O)N[*:1]
O=[S@](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1Cl Fc1ccc(cc1)[*:1] O=[S@](Cc1coc(n1)[*:1])Cc1ccccc1Cl
O=[S@](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1Cl Clc1ccccc1[*:1] O=[S@](Cc1coc(n1)-c1ccc(F)cc1)C[*:1]
C[C@H]1CCc2c(cnc3c(C(=O)NC[C@H](C)c4ccccc4)cnn23)C1 C[C@H](c1ccccc1)[*:1] C[C@H]1CCc2c(cnc3c(cnn23)C(=O)NC[*:1])C1
C[C@H]1CCc2c(cnc3c(C(=O)NC[C@H](C)c4ccccc4)cnn23)C1 c1ccc(cc1)[*:1] C[C@H]1CCc2c(cnc3c(cnn23)C(=O)NC[C@H](C)[*:1])C1
Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1 Fc1cccc(c1)[*:1] Cc1ccc(Cl)cc1NC(=O)c1cnn(c1-n1cccc1)[*:1]
Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1 c1ccn(c1)[*:1] Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2cccc(F)c2)c1[*:1]
Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1 Cc1ccc(Cl)cc1[*:1] O=C(N[*:1])c1cnn(-c2cccc(F)c2)c1-n1cccc1
CC(C)[C@H](CCl)Nc1[nH+]c2ccccc2n1C CC(C)[*:1] Cn1c(N[C@@H](CCl)[*:1])[nH+]c2ccccc21
COc1cc(C(=O)N(c2ccccc2)C(C)C)cc(NC(C)=O)c1OC c1ccc(cc1)[*:1] COc1cc(cc(NC(C)=O)c1OC)C(=O)N(C(C)C)[*:1]
COc1cc(C(=O)N(c2ccccc2)C(C)C)cc(NC(C)=O)c1OC CC(=O)N[*:1] COc1cc(cc(c1OC)[*:1])C(=O)N(c1ccccc1)C(C)C
COc1cc(C(=O)N(c2ccccc2)C(C)C)cc(NC(C)=O)c1OC CC(C)[*:1] COc1cc(cc(NC(C)=O)c1OC)C(=O)N(c1ccccc1)[*:1]
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC1CC1 O=C(NC1CC1)[*:1] O=C(NCC[*:1])C12CC3CC(CC(C3)C1)C2
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC1CC1 O=C(C[*:1])NC1CC1 O=C(NC[*:1])C12CC3CC(CC(C3)C1)C2
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC1CC1 C1CC1[*:1] O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N[*:1]
C#CCn1/c(=N/S(=O)(=O)c2ccc(C)cc2)sc2cccc(F)c21 Cc1ccc(cc1)[*:1] C#CCn1/c(=N/S(=O)(=O)[*:1])sc2cccc(F)c21
C#CCn1/c(=N/S(=O)(=O)c2ccc(C)cc2)sc2cccc(F)c21 C#CC[*:1] Cc1ccc(cc1)S(=O)(=O)/N=c1\sc2cccc(F)c2n1[*:1]
CCC[C@H](CC(=O)OC)NC(=O)c1cc(C)ccc1C COC(=O)[*:1] CCC[C@H](C[*:1])NC(=O)c1cc(C)ccc1C
CCC[C@H](CC(=O)OC)NC(=O)c1cc(C)ccc1C COC(=O)C[*:1] CCC[C@H](NC(=O)c1cc(C)ccc1C)[*:1]
CCC[C@H](CC(=O)OC)NC(=O)c1cc(C)ccc1C CCC[*:1] COC(=O)C[C@H](NC(=O)c1cc(C)ccc1C)[*:1]
Cc1[nH]nc(CCC(=O)N2C[C@@H](C)[C@](O)(C(C)C)C2)c1C CC(C)[*:1] Cc1[nH]nc(CCC(=O)N2C[C@@H](C)[C@](O)(C2)[*:1])c1C
Cc1[nH]nc(CCC(=O)N2C[C@@H](C)[C@](O)(C(C)C)C2)c1C Cc1[nH]nc(c1C)[*:1] CC(C)[C@]1(O)CN(C[C@H]1C)C(=O)CC[*:1]
C[C@H](OC(=O)c1cnc(-c2ccccc2F)s1)[C@H]1CCOC1 Fc1ccccc1[*:1] C[C@H](OC(=O)c1cnc(s1)[*:1])[C@H]1CCOC1
COc1cc2c(cc1OC)[C@H](c1ccc(SC)cc1)C1=C(CC(C)(C)CC1=O)N2 CSc1ccc(cc1)[*:1] COc1cc2NC3CC(C)(C)CC(=O)C=3[C@@H](c2cc1OC)[*:1]
C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)OC(F)(F)F
C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(cc1)O[*:1]
C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(cc1)[*:1]
CNC(=O)c1ccc(CNC(=O)c2cc(C(C)C)n(C)n2)cc1 CC(C)[*:1] CNC(=O)c1ccc(cc1)CNC(=O)c1cc(n(C)n1)[*:1]
CNC(=O)c1ccc(CNC(=O)c2cc(C(C)C)n(C)n2)cc1 CNC(=O)[*:1] CC(C)c1cc(nn1C)C(=O)NCc1ccc(cc1)[*:1]
CCN1CC(=O)Nc2cc(C(=O)NCC(C)(C)O)ccc21 CC(C)(O)C[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[*:1]
CCN1CC(=O)Nc2cc(C(=O)NCC(C)(C)O)ccc21 CC(C)(O)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)NC[*:1]
C[C@@H](CCc1ncnn1Cc1cccc(Cl)c1)[NH+]1CCCC1 Clc1cccc(c1)[*:1] C[C@@H](CCc1ncnn1C[*:1])[NH+]1CCCC1
CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccco1 Clc1ccc(Cl)c(c1)[*:1] CCn1c(nnc1-c1ccco1)S[C@H](C)C(=O)N[*:1]
CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl
CCOc1cc2c(cc1OCC)[C@H](c1ccc3c(c1)OCCO3)NCC2 CCO[*:1] CCOc1cc2CCN[C@@H](c3ccc4OCCOc4c3)c2cc1[*:1]
CCOc1cc2c(cc1OCC)[C@H](c1ccc3c(c1)OCCO3)NCC2 CCO[*:1] CCOc1cc2c(cc1[*:1])CCN[C@H]2c1ccc2OCCOc2c1
O=C(NCCCO)Nc1cccc(F)c1 OCCC[*:1] O=C(Nc1cccc(F)c1)N[*:1]
O=C(NCCCO)Nc1cccc(F)c1 OCC[*:1] O=C(NC[*:1])Nc1cccc(F)c1
CCC[NH2+][C@H](Cc1ncccc1C)c1ccccc1Cl CCC[*:1] Cc1cccnc1C[C@@H]([NH2+][*:1])c1ccccc1Cl
CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cn3cc(Cl)ccc3n1)C2 CN(C)[*:1] O=C(c1cn2cc(Cl)ccc2n1)N1CCc2c(C1)nc([nH]c2=O)[*:1]
COc1cc2ccccc2cc1C(=O)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] COc1cc2ccccc2cc1C(=O)N1CCN(CC1)[*:1]
Cc1ccc(CN(CCc2ccccc2)C(=O)[C@H](C)NC(N)=O)s1 Cc1ccc(C[*:1])s1 C[C@H](NC(N)=O)C(=O)N(CCc1ccccc1)[*:1]
Cc1ccc(CN(CCc2ccccc2)C(=O)[C@H](C)NC(N)=O)s1 c1ccc(cc1)C[*:1] Cc1ccc(CN(C[*:1])C(=O)[C@H](C)NC(N)=O)s1
Cc1ccc(CN(CCc2ccccc2)C(=O)[C@H](C)NC(N)=O)s1 NC(=O)N[*:1] Cc1ccc(CN(CCc2ccccc2)C(=O)[C@H](C)[*:1])s1
Cc1ccc(CN(CCc2ccccc2)C(=O)[C@H](C)NC(N)=O)s1 Cc1ccc(s1)[*:1] C[C@H](NC(N)=O)C(=O)N(CCc1ccccc1)C[*:1]
Cc1ccc(CN(CCc2ccccc2)C(=O)[C@H](C)NC(N)=O)s1 c1ccc(cc1)CC[*:1] Cc1ccc(CN(C(=O)[C@H](C)NC(N)=O)[*:1])s1
Cc1ccc(CN(CCc2ccccc2)C(=O)[C@H](C)NC(N)=O)s1 c1ccc(cc1)[*:1] Cc1ccc(CN(CC[*:1])C(=O)[C@H](C)NC(N)=O)s1
O=C(N/N=C/c1cccc(O)c1)c1ccc2c(c1)OCCO2 Oc1cccc(c1)[*:1] O=C(NN=C[*:1])c1ccc2OCCOc2c1
CCOc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@H]([C@@H]1C(=O)[O-])[C@@H]1C[C@H]21 O=C([O-])[*:1] CCOc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]1[*:1])[C@@H]1C[C@H]21
CCOc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@H]([C@@H]1C(=O)[O-])[C@@H]1C[C@H]21 CCO[*:1] O=C(Nc1ccccc1[*:1])[C@H]1[C@@H]2C=C[C@H]([C@@H]1C(=O)[O-])[C@@H]1C[C@H]21
CCc1ccc(N2C[C@H](C(=O)N[C@H]3C[C@@H]3C)CC2=O)cc1 C[C@H]1C[C@@H]1NC(=O)[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)[*:1]
CCc1ccc(N2C[C@H](C(=O)N[C@H]3C[C@@H]3C)CC2=O)cc1 C[C@H]1C[C@@H]1[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1noc([C@@H](OC(=O)/C=C/c2c(F)cccc2F)c2ccccc2)n1 Fc1cccc(F)c1[*:1] Cc1noc(n1)[C@@H](OC(=O)C=C[*:1])c1ccccc1
Cc1noc([C@@H](OC(=O)/C=C/c2c(F)cccc2F)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@@H](OC(=O)/C=C/c1c(F)cccc1F)[*:1]
Cc1noc([C@@H](OC(=O)/C=C/c2c(F)cccc2F)c2ccccc2)n1 Cc1noc(n1)[*:1] O=C(/C=C/c1c(F)cccc1F)O[C@@H](c1ccccc1)[*:1]
O=C(NCCOCC(F)(F)F)c1ccc(C2CCCCC2)cc1 C1CCC(CC1)[*:1] O=C(NCCOCC(F)(F)F)c1ccc(cc1)[*:1]
O=C(NCCOCC(F)(F)F)c1ccc(C2CCCCC2)cc1 FC(F)(F)COC[*:1] O=C(NC[*:1])c1ccc(cc1)C1CCCCC1
O=C(NCCOCC(F)(F)F)c1ccc(C2CCCCC2)cc1 FC(F)(F)CO[*:1] O=C(NCC[*:1])c1ccc(cc1)C1CCCCC1
O=C(NCCOCC(F)(F)F)c1ccc(C2CCCCC2)cc1 FC(F)(F)C[*:1] O=C(NCCO[*:1])c1ccc(cc1)C1CCCCC1
O=C(NCCOCC(F)(F)F)c1ccc(C2CCCCC2)cc1 FC(F)(F)[*:1] O=C(NCCOC[*:1])c1ccc(cc1)C1CCCCC1
COCCN(CCC#N)C(=O)N1CCCCC1 N#CCC[*:1] COCCN(C(=O)N1CCCCC1)[*:1]
COCCN(CCC#N)C(=O)N1CCCCC1 N#CC[*:1] COCCN(C[*:1])C(=O)N1CCCCC1
COCCN(CCC#N)C(=O)N1CCCCC1 COCC[*:1] N#CCCN(C(=O)N1CCCCC1)[*:1]
COCCN(CCC#N)C(=O)N1CCCCC1 COC[*:1] N#CCCN(C[*:1])C(=O)N1CCCCC1
COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 Cc1nonc1CNC(=O)[*:1] COc1cc(=O)n2CCN(CCc2c1[*:1])C(=O)c1ccc(F)c(Cl)c1
COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 Cc1nonc1C[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N[*:1])C(=O)c1ccc(F)c(Cl)c1
COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 Fc1ccc(cc1Cl)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)NCc1nonc1C)C(=O)[*:1]
COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 Cc1nonc1[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)NC[*:1])C(=O)c1ccc(F)c(Cl)c1
Cc1ccccc1CN(C)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 Cc1ccccc1C[*:1] CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)[*:1]
Cc1ccccc1CN(C)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
Cc1ccccc1CN(C)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccccc1CN(C)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
CC[NH2+][C@@H](Cc1ccnc(N)c1)C(C)(C)N1CCOCC1 Nc1cc(ccn1)[*:1] CC[NH2+][C@@H](C[*:1])C(C)(C)N1CCOCC1
CC[NH2+][C@@H](Cc1ccnc(N)c1)C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] CC[NH2+][C@@H](Cc1ccnc(N)c1)C(C)(C)[*:1]
NS(=O)(=O)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1C=COc2ccc(Br)cc2C=1
Cc1nc([C@H](NC(=O)[C@H]2CCO[C@@H]2C)c2ccccc2F)no1 Cc1nc(no1)[*:1] C[C@H]1OCC[C@@H]1C(=O)N[C@H](c1ccccc1F)[*:1]
Cc1nc([C@H](NC(=O)[C@H]2CCO[C@@H]2C)c2ccccc2F)no1 Fc1ccccc1[*:1] Cc1nc(no1)[C@H](NC(=O)[C@H]1CCO[C@@H]1C)[*:1]
O=C(NC1CCCCC1)C1=NN(c2ccccc2)C(=O)CN1 C1CCC(CC1)[*:1] O=C(N[*:1])C1=NN(C(=O)CN1)c1ccccc1
O=C(NC1CCCCC1)C1=NN(c2ccccc2)C(=O)CN1 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)C1=NN(C(=O)CN1)[*:1]
CCCCc1nc([C@@H](C)[NH3+])cs1 CCC[*:1] C[C@@H]([NH3+])c1csc(C[*:1])n1
CCCCc1nc([C@@H](C)[NH3+])cs1 CCCC[*:1] C[C@@H]([NH3+])c1csc(n1)[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)N2CCN(CC(F)F)CC2)CC1 FC(F)C[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)N1CCN(CC1)[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)N2CCN(CC(F)F)CC2)CC1 CC(C)(C)OC(=O)[*:1] O=C(NC1CCC(CC1)[*:1])N1CCN(CC1)CC(F)F
CC(C)(C)OC(=O)C1CCC(NC(=O)N2CCN(CC(F)F)CC2)CC1 CC(C)(C)[*:1] O=C(O[*:1])C1CCC(CC1)NC(=O)N1CCN(CC1)CC(F)F
CC(C)(C)OC(=O)C1CCC(NC(=O)N2CCN(CC(F)F)CC2)CC1 FC(F)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)N1CCN(CC1)C[*:1]
COc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)-n1nnnc1SCC(=O)N[C@H](C)[*:1]
COc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2cccs2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nnnn1[*:1])c1cccs1
O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccncc1 O=C(Nc1ccncc1)[*:1] O=C(NCC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(CCNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)N[*:1]
O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccncc1 Clc1ccc(cc1)[*:1] O=C(CCNC(=O)C1CCN(CC1)S(=O)(=O)[*:1])Nc1ccncc1
O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccncc1 O=C(C[*:1])Nc1ccncc1 O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
N#Cc1ccc(Cl)c(NC(=O)NCCCCn2ccccc2=O)c1 O=c1ccccn1[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NCCCC[*:1]
N#Cc1ccc(Cl)c(NC(=O)NCCCCn2ccccc2=O)c1 O=c1ccccn1C[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NCCC[*:1]
CCSc1ccc(N[C@@H](C)C(=O)NC(C)(C)C)cn1 CCS[*:1] C[C@H](Nc1ccc(nc1)[*:1])C(=O)NC(C)(C)C
CCSc1ccc(N[C@@H](C)C(=O)NC(C)(C)C)cn1 CC(C)(C)[*:1] CCSc1ccc(cn1)N[C@@H](C)C(=O)N[*:1]
COc1cc(F)cc(CNC(=O)c2cc[nH]n2)c1 c1cc(n[nH]1)[*:1] COc1cc(F)cc(c1)CNC(=O)[*:1]
CC(C)(C)OC(=O)N1CCC(/C(=N/O)C(F)(F)F)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)/C(=N/O)C(F)(F)F
CC(C)(C)OC(=O)N1CCC(/C(=N/O)C(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=NO)[*:1]
CC(=O)c1cccc(NC(=O)N(C)[C@H](C)C(C)(C)C)c1 CC(=O)[*:1] C[C@@H](N(C)C(=O)Nc1cccc(c1)[*:1])C(C)(C)C
CC(=O)c1cccc(NC(=O)N(C)[C@H](C)C(C)(C)C)c1 CC(C)(C)[*:1] CC(=O)c1cccc(c1)NC(=O)N(C)[C@H](C)[*:1]
Cc1cccn2cc(CC(N)=S)[nH+]c12 NC(=S)C[*:1] Cc1cccn2cc([nH+]c12)[*:1]
Cc1cccn2cc(CC(N)=S)[nH+]c12 NC(=S)[*:1] Cc1cccn2cc(C[*:1])[nH+]c12
CCc1c(C(=O)N[C@@H](C)c2ccncc2)cnn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)N[C@@H](C)c1ccncc1
CCc1c(C(=O)N[C@@H](C)c2ccncc2)cnn1-c1ccc(C)cc1 c1cc(ccn1)[*:1] CCc1c(cnn1-c1ccc(C)cc1)C(=O)N[C@@H](C)[*:1]
CCc1c(C(=O)N[C@@H](C)c2ccncc2)cnn1-c1ccc(C)cc1 C[C@@H](c1ccncc1)[*:1] CCc1c(cnn1-c1ccc(C)cc1)C(=O)N[*:1]
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 CC(C)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 CC(C)C[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 CC(C)CC[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 CC(C)CCNC(=O)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N1CCC(CC1)[*:1]
C[C@H](Cc1ccc(F)cc1)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] C[C@H](Cc1ccc(F)cc1)NC(=O)N[C@H]1CC(=O)N(C1)[*:1]
C[C@H](Cc1ccc(F)cc1)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 Fc1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)N[C@H]1CC(=O)N(C1)C1CC1
CCOC(=O)C[C@@H](C)CNC(=O)N1CCC[C@@H]1C1CCCC1 C1CCC(C1)[*:1] CCOC(=O)C[C@@H](C)CNC(=O)N1CCC[C@H]1[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)N1CCC[C@@H]1C1CCCC1 CCOC(=O)[*:1] C[C@@H](CNC(=O)N1CCC[C@@H]1C1CCCC1)C[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)N1CCC[C@@H]1C1CCCC1 CCOC(=O)C[*:1] C[C@@H](CNC(=O)N1CCC[C@@H]1C1CCCC1)[*:1]
CC(C)[NH+](Cc1nc(-c2ccc(Cl)cc2)no1)CC(F)(F)F Clc1ccc(cc1)[*:1] CC(C)[NH+](Cc1nc(no1)[*:1])CC(F)(F)F
CC(C)[NH+](Cc1nc(-c2ccc(Cl)cc2)no1)CC(F)(F)F FC(F)(F)[*:1] CC(C)[NH+](Cc1nc(no1)-c1ccc(Cl)cc1)C[*:1]
CC(C)[NH+](Cc1nc(-c2ccc(Cl)cc2)no1)CC(F)(F)F CC(C)[*:1] FC(F)(F)C[NH+](Cc1nc(no1)-c1ccc(Cl)cc1)[*:1]
CCN(CC(C)(C)C[NH3+])c1cc[nH+]cc1C CC(C)(C[NH3+])[*:1] CCN(C[*:1])c1cc[nH+]cc1C
CCC[C@@H]1C[C@@]1([NH3+])C1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] CCC[C@@H]1C[C@@]1([NH3+])C1(CCCC1)[*:1]
CCC[C@@H]1C[C@@]1([NH3+])C1(c2ccccc2)CCCC1 CCC[*:1] [NH3+][C@]1(C[C@H]1[*:1])C1(CCCC1)c1ccccc1
COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)[O-])cc1Br O=C([O-])[*:1] COc1ccc(cc1Br)C(=O)NC(=S)Nc1ccc(Br)cc1[*:1]
CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCc2ccccc21 CC(C)(C)[*:1] CN(C(=O)C1CCN(CC1)C(=O)O[*:1])[C@H]1CCc2ccccc21
C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NC(=O)c1cc2COc3ccccc3-c2s1)c1ccc(cc1)[*:1]
CCCN(CC)c1ccccc1C[NH2+]CC CCC[*:1] CC[NH2+]Cc1ccccc1N(CC)[*:1]
COc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cn1 COc1ccc(cn1)[*:1] O=C(N[*:1])c1cc(nn1-c1ccccc1)C1CC1
COc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cn1 c1ccc(cc1)[*:1] COc1ccc(cn1)NC(=O)c1cc(nn1[*:1])C1CC1
COc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cn1 C1CC1[*:1] COc1ccc(cn1)NC(=O)c1cc(nn1-c1ccccc1)[*:1]
C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 C[C@@H]1OCC[C@@H]1[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CCO1 NC(=O)[*:1] O=S(=O)(c1ccc(F)cc1F)N1CCO[C@@H](C1)[*:1]
COc1cc(C(=O)N/N=C(\C)c2ccc(Br)cc2)cc(OC)c1OC Brc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)NN=C(C)[*:1]
C[C@H](O)[C@@H](C)SCc1nc(-c2ccc3c(c2)OCO3)no1 C[C@H](O)[*:1] C[C@@H](SCc1nc(no1)-c1ccc2OCOc2c1)[*:1]
CC[C@@]1(C)C[C@H]([C@H](Br)C(C)C)CCO1 CC(C)[*:1] CC[C@@]1(C)C[C@@H](CCO1)[C@H](Br)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)Cc2cccc4ccccc24)CS(=O)(=O)C3)cc1 c1ccc2c(cccc2c1)[*:1] Cc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)C[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)Cc2cccc4ccccc24)CS(=O)(=O)C3)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1cccc2ccccc12)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
CCn1cc(S(=O)(=O)N(C)Cc2nn(CC)cc2Br)cn1 CCn1cc(cn1)[*:1] CCn1cc(Br)c(CN(C)S(=O)(=O)[*:1])n1
C=CCn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] C=CCn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cc(ccc21)[*:1]
C=CCn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cc([N+](=O)[O-])ccc21 C=CC[*:1] O=C(/N=c1\sc2cc(ccc2n1[*:1])[N+](=O)[O-])c1cnc2ccccc2n1
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 N#Cc1cccc(c1)[*:1] C=CCN(C[*:1])C(=O)Nc1ccc(cc1)OC(F)(F)F
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(cc1)O[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 N#Cc1cccc(c1)C[*:1] C=CCN(C(=O)Nc1ccc(cc1)OC(F)(F)F)[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(cc1)[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 C=CC[*:1] N#Cc1cccc(c1)CN(C(=O)Nc1ccc(cc1)OC(F)(F)F)[*:1]
N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@@H]1[*:1])c1ccccc1C#N
N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 N#Cc1ccccc1[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@H]1c1ccc2OCOc2c1)[*:1]
Cc1cc([C@](C)(O)CNc2ncc(S(N)(=O)=O)s2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@](O)(CNc1ncc(s1)S(N)(=O)=O)[*:1]
Cc1cc([C@](C)(O)CNc2ncc(S(N)(=O)=O)s2)c(C)o1 NS(=O)(=O)[*:1] Cc1cc(c(C)o1)[C@](C)(O)CNc1ncc(s1)[*:1]
CC(C)[C@H](NC(=O)[C@@]1(C)CCCO1)/C(N)=N/O N/C(=N\O)[*:1] CC(C)[C@H](NC(=O)[C@@]1(C)CCCO1)[*:1]
CC(C)[C@H](NC(=O)[C@@]1(C)CCCO1)/C(N)=N/O CC(C)[*:1] C[C@@]1(CCCO1)C(=O)N[C@H](/C(N)=N/O)[*:1]
CCc1ccc(C(C)(C)NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 CCc1ccc(cc1)[*:1] CC(C)(NC(=O)C1CCN(CC1)C(=O)c1ccoc1)[*:1]
CCc1ccc(C(C)(C)NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 c1cc(co1)[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)c1[nH]c2ncccc2c1C[NH+]1C[C@H](C)C[C@@H](C)C1 CC(C)[*:1] C[C@@H]1C[C@@H](C)C[NH+](Cc2c([nH]c3ncccc23)[*:1])C1
O=C(Cn1nnnc1-c1ccc(Br)cc1)N1CCCCC1 Brc1ccc(cc1)[*:1] O=C(Cn1nnnc1[*:1])N1CCCCC1
O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(Cn1ccc(n1)C(F)(F)F)N1CCC(CC1)O[*:1]
O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(OCc2ccccc2F)CC1 FC(F)(F)c1ccn(n1)[*:1] O=C(C[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] O=C(Cn1ccc(n1)C(F)(F)F)N1CCC(CC1)[*:1]
O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(Cn1ccc(n1)C(F)(F)F)N1CCC(CC1)OC[*:1]
O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(OCc2ccccc2F)CC1 FC(F)(F)[*:1] O=C(Cn1ccc(n1)[*:1])N1CCC(CC1)OCc1ccccc1F
Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)c1cc2ccccc2oc1=O c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])[C@H](C#N)C(=O)c1cc2ccccc2oc1=O
C#CCN1CCC(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C#CCN1CCC(CC1)C(=O)NC[C@@H](C)O[*:1]
C#CCN1CCC(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)CC1 C#CC[*:1] C[C@H](CNC(=O)C1CCN(CC1)[*:1])Oc1ccc(F)cc1
C[C@@H]1CCC[C@@H](NC(=O)CC(C)(C)C)C1 CC(C)(C)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)C[*:1]
C[C@@H]1CCC[C@@H](NC(=O)CC(C)(C)C)C1 CC(C)(C)C[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)[*:1]
Cc1cc(Cl)cc(C)c1OCC(C)(C)C(=O)[O-] O=C([O-])[*:1] Cc1cc(Cl)cc(C)c1OCC(C)(C)[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] CCCCS(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(Br)cc2)CC1 CCCC[*:1] O=C(NCc1ccc(Br)cc1)C1CCN(CC1)S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(Br)cc2)CC1 CCC[*:1] O=C(NCc1ccc(Br)cc1)C1CCN(CC1)S(=O)(=O)C[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(Br)cc2)CC1 Brc1ccc(cc1)C[*:1] CCCCS(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(CNC(=O)Cn2cnc3c(c(C)c(C)n3-c3ccc(Cl)cc3)c2=O)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)Cn1cnc2c(c(C)c(C)n2[*:1])c1=O
COc1ccc(CNC(=O)Cn2cnc3c(c(C)c(C)n3-c3ccc(Cl)cc3)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NC[*:1])c(=O)c12
COc1ccc(CNC(=O)Cn2cnc3c(c(C)c(C)n3-c3ccc(Cl)cc3)c2=O)cc1 COc1ccc(cc1)C[*:1] Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)N[*:1])c(=O)c12
COC[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1Cl COC[*:1] C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)[*:1]
COC[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1Cl COC[C@@H](C)[*:1] O=C(N[*:1])c1c[nH]nc1-c1ccccc1Cl
Cn1cccc1/C=C\[N+](=O)[O-] O=[N+]([O-])[*:1] Cn1cccc1C=C[*:1]
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)NCCc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)CC(=O)NCC[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)NCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] Cc1nn(c(C)c1N1CCN(CC1)CC(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)NCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1N1CCN(CC1)CC(=O)NC[*:1])[C@@H]1CCS(=O)(=O)C1
C[C@@](O)(CNC(=O)c1ccoc1)CN1CCOCC1 c1cc(co1)[*:1] C[C@@](O)(CNC(=O)[*:1])CN1CCOCC1
C[C@@](O)(CNC(=O)c1ccoc1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@](O)(CNC(=O)c1ccoc1)C[*:1]
COc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc(OC)c1OC Clc1cccc(c1Cl)[*:1] COc1cc(cc(OC)c1OC)NS(=O)(=O)[*:1]
C[C@@]1(NC(=O)CCNC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3C2)CCS(=O)(=O)C1 C[C@]1(CCS(=O)(=O)C1)[*:1] O=C(CCNC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2C1)N[*:1]
O=C(NCCc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCCc1ccc2OCCOc2c1)N1CCN(CC1)[*:1]
C[C@](Nc1ccc(C(N)=O)nn1)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] C[C@](Nc1ccc(nn1)C(N)=O)(c1ccccc1)[*:1]
C[C@](Nc1ccc(C(N)=O)nn1)(C(=O)[O-])c1ccccc1 NC(=O)[*:1] C[C@](Nc1ccc(nn1)[*:1])(C(=O)[O-])c1ccccc1
C[C@](Nc1ccc(C(N)=O)nn1)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@](Nc1ccc(nn1)C(N)=O)(C(=O)[O-])[*:1]
CCC(CC)n1nc(C)cc1NC(=O)[C@]1(C)CC(C)=NO1 CCC(CC)[*:1] CC1C[C@](C)(ON=1)C(=O)Nc1cc(C)nn1[*:1]
Cc1cc(OCC(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)ccc1Br O=[N+]([O-])[*:1] Cc1cc(ccc1Br)OCC(=O)NC(=S)Nc1cccc(c1)[*:1]
Cc1cc(OCC(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(CO[*:1])NC(=S)Nc1cccc(c1)[N+](=O)[O-]
COc1ccc(NC(=O)Nc2ccn(Cc3ccccc3F)n2)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)NC(=O)Nc1ccn(n1)[*:1]
COc1ccc(NC(=O)Nc2ccn(Cc3ccccc3F)n2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)NC(=O)Nc1ccn(C[*:1])n1
COc1ccc(NC(=O)Nc2ccn(Cc3ccccc3F)n2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccn(Cc2ccccc2F)n1)N[*:1]
Cn1cc(/C([O-])=N/S(=O)(=O)c2ccccc2F)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(/C([O-])=N/S(=O)(=O)c2ccccc2F)c(n1)[*:1]
Cn1cc(/C([O-])=N/S(=O)(=O)c2ccccc2F)c(C(C)(C)C)n1 Fc1ccccc1[*:1] Cn1cc(/C([O-])=N/S(=O)(=O)[*:1])c(n1)C(C)(C)C
C[C@H](SCc1cccc(F)c1F)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@H](SCc1cccc(F)c1F)C(=O)N[*:1]
Cn1nc(C(=O)NCCc2ccccc2)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)c1ccccc1)C(=O)NCC[*:1]
Cn1nc(C(=O)NCCc2ccccc2)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)NCCc1ccccc1
Cn1nc(C(=O)NCCc2ccccc2)cc1NC(=O)c1ccccc1 c1ccc(cc1)CC[*:1] Cn1nc(cc1NC(=O)c1ccccc1)C(=O)N[*:1]
Cn1nc(C(=O)NCCc2ccccc2)cc1NC(=O)c1ccccc1 c1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)c1ccccc1)C(=O)NC[*:1]
C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)C(=O)/C=C/c1ccccc1)[*:1]
C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1cccs1 C(=C[*:1])c1ccccc1 C[C@@H](NC(=O)C1CCN(CC1)C(=O)[*:1])c1cccs1
C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1cccs1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)C(=O)C=C[*:1])c1cccs1
Cc1cc(C)nc(-n2cc(C(=O)N[C@H]3CCC(=O)NC3)c(C(C)C)n2)n1 Cc1cc(C)nc(n1)[*:1] CC(C)c1nn(cc1C(=O)N[C@H]1CCC(=O)NC1)[*:1]
Cc1cc(C)nc(-n2cc(C(=O)N[C@H]3CCC(=O)NC3)c(C(C)C)n2)n1 CC(C)[*:1] Cc1cc(C)nc(n1)-n1cc(C(=O)N[C@H]2CCC(=O)NC2)c(n1)[*:1]
CCn1nc(C)c(NC(=O)N2CC[C@H](COCc3ccccc3)C2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)N2CC[C@H](COC[*:1])C2)c1C
CCn1nc(C)c(NC(=O)N2CC[C@H](COCc3ccccc3)C2)c1C c1ccc(cc1)C[*:1] CCn1nc(C)c(NC(=O)N2CC[C@H](CO[*:1])C2)c1C
CCn1nc(C)c(NC(=O)N2CC[C@H](COCc3ccccc3)C2)c1C c1ccc(cc1)CO[*:1] CCn1nc(C)c(NC(=O)N2CC[C@@H](C2)C[*:1])c1C
CCC[NH+]1CCN([C@H]2CC[C@@](CO)([NH2+]C(C)C)C2)CC1 CCC[*:1] CC(C)[NH2+][C@]1(CO)CC[C@@H](C1)N1CC[NH+](CC1)[*:1]
CCC[NH+]1CCN([C@H]2CC[C@@](CO)([NH2+]C(C)C)C2)CC1 CC(C)[*:1] CCC[NH+]1CCN(CC1)[C@H]1CC[C@](CO)(C1)[NH2+][*:1]
CCC[NH+]1CCN([C@H]2CC[C@@](CO)([NH2+]C(C)C)C2)CC1 CC(C)[NH2+][*:1] CCC[NH+]1CCN(CC1)[C@H]1CC[C@@](CO)(C1)[*:1]
C[C@H]1C[C@@H](NC(=O)NC2CCCCC2)CN1c1ccccc1 C1CCC(CC1)[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)N[*:1]
C[C@H]1C[C@@H](NC(=O)NC2CCCCC2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1[*:1])NC(=O)NC1CCCCC1
Cc1ccc2c(c1)N(C(=O)c1ccn(-c3ccccc3)n1)C[C@@H](C)O2 c1ccc(cc1)[*:1] Cc1ccc2O[C@H](C)CN(C(=O)c3ccn(n3)[*:1])c2c1
CNc1ccc2nc(-c3ccccc3CC[NH3+])[nH]c2n1 [NH3+]CC[*:1] CNc1ccc2nc([nH]c2n1)-c1ccccc1[*:1]
CC1(C)CC(NC(=S)N(C[C@H]2CC=CCC2)C[C@H]2CCCO2)CC(C)(C)[NH2+]1 C1CO[C@H](C1)C[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=S)N(C[C@H]1CC=CCC1)[*:1]
CC1(C)CC(NC(=S)N(C[C@H]2CC=CCC2)C[C@H]2CCCO2)CC(C)(C)[NH2+]1 C1CO[C@H](C1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=S)N(C[C@H]1CC=CCC1)C[*:1]
CC[C@H](C)S(=O)(=O)CC(=O)OC CC[C@H](C)[*:1] COC(=O)CS(=O)(=O)[*:1]
CC[C@H](C)S(=O)(=O)CC(=O)OC COC(=O)[*:1] CC[C@H](C)S(=O)(=O)C[*:1]
O=C1CC[C@@H](C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CN1 O=C1CC[C@@H](CN1)[*:1] O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[*:1]
CCc1cc(N2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] CCc1cc(nc(n1)-c1ccc(cc1)[*:1])N1CC[NH2+]CC1
Cc1ccccc1-c1noc(CN2CCN(Cn3cc(Cl)cn3)CC2)n1 Cc1ccccc1[*:1] Clc1cnn(c1)CN1CCN(CC1)Cc1nc(no1)[*:1]
Cc1ccccc1-c1noc(CN2CCN(Cn3cc(Cl)cn3)CC2)n1 Clc1cnn(c1)[*:1] Cc1ccccc1-c1noc(CN2CCN(CC2)C[*:1])n1
Cc1ccccc1-c1noc(CN2CCN(Cn3cc(Cl)cn3)CC2)n1 Clc1cnn(c1)C[*:1] Cc1ccccc1-c1noc(CN2CCN(CC2)[*:1])n1
C[NH2+][C@H](CSC(C)C)Cc1nc(C(C)(C)C)cs1 CC(C)[*:1] C[NH2+][C@H](CS[*:1])Cc1nc(cs1)C(C)(C)C
C[NH2+][C@H](CSC(C)C)Cc1nc(C(C)(C)C)cs1 CC(C)SC[*:1] C[NH2+][C@H](Cc1nc(cs1)C(C)(C)C)[*:1]
C[NH2+][C@H](CSC(C)C)Cc1nc(C(C)(C)C)cs1 CC(C)S[*:1] C[NH2+][C@@H](Cc1nc(cs1)C(C)(C)C)C[*:1]
C[NH2+][C@H](CSC(C)C)Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[NH2+][C@H](CSC(C)C)Cc1nc(cs1)[*:1]
Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)c2cc1C O=[N+]([O-])[*:1] Cc1cc2oc(=O)cc(CN3CCN(CC3)S(=O)(=O)c3ccccc3[*:1])c2cc1C
Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)c2cc1C O=[N+]([O-])c1ccccc1[*:1] Cc1cc2oc(=O)cc(CN3CCN(CC3)S(=O)(=O)[*:1])c2cc1C
COC(=O)c1ncccc1N1CC[C@H](C)[C@@H](O)C1 COC(=O)[*:1] C[C@H]1CCN(C[C@@H]1O)c1cccnc1[*:1]
O=C([O-])[C@@]1(Cl)C[C@@H]2CC[C@H]1C2 O=C([O-])[*:1] Cl[C@]1(C[C@@H]2CC[C@H]1C2)[*:1]
CCC[NH2+][C@H](COC)c1cscc1Br COC[*:1] CCC[NH2+][C@H](c1cscc1Br)[*:1]
CCC[NH2+][C@H](COC)c1cscc1Br CCC[*:1] COC[C@@H]([NH2+][*:1])c1cscc1Br
Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccccc1[*:1]
Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] Cc1ccccc1[*:1] O=C(CNC(=O)[*:1])N/N=C/c1ccccc1[N+](=O)[O-]
O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CSc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(c1cccc(c1)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)CS[*:1]
O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CSc2ccccn2)C1 c1ccc(nc1)SC[*:1] O=C(c1cccc(c1)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CSc2ccccn2)C1 FC(F)(F)[*:1] O=C(c1cccc(c1)[*:1])[C@@H]1CCCN(C1)C(=O)CSc1ccccn1
O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CSc2ccccn2)C1 c1ccc(nc1)S[*:1] O=C(c1cccc(c1)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccc(C)c(-n2ncc([C@H](C)[NH2+][C@H]3CCc4n[nH]cc4C3)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1c(cnn1[*:1])[C@H](C)[NH2+][C@H]1CCc2n[nH]cc2C1
Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)c1 Clc1ccccc1[*:1] Cc1cccc(c1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)Cc1ccccc1Cl
Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)c1 Clc1ccccc1C[*:1] Cc1cccc(c1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Nc1ccccc1C(=O)N/N=C/c1cccs1)c1ccco1 c1csc(c1)[*:1] O=C(Nc1ccccc1C(=O)NN=C[*:1])c1ccco1
O=C(Nc1ccccc1C(=O)N/N=C/c1cccs1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(N/N=C/c1cccs1)c1ccccc1[*:1]
O=C(Nc1ccccc1C(=O)N/N=C/c1cccs1)c1ccco1 c1coc(c1)[*:1] O=C(N/N=C/c1cccs1)c1ccccc1NC(=O)[*:1]
CC[NH+]1CCN(c2oc(-c3ccccc3[N+](=O)[O-])nc2C#N)CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)c1oc(nc1C#N)-c1ccccc1[*:1]
Cc1ccc(N/C(=N/C(=O)c2ccc(C)cc2)NC[C@@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N/C(=N/C(=O)[*:1])NC[C@@H]1CCCO1
Cc1ccc(N/C(=N/C(=O)c2ccc(C)cc2)NC[C@@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)/N=C(\NC[C@@H]1CCCO1)N[*:1]
C[C@H]1OCC[C@H]1C(=O)Nc1ccccc1C#CCCO OCC[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1ccccc1C#C[*:1]
C[C@H]1OCC[C@H]1C(=O)Nc1ccccc1C#CCCO OCCC#C[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1ccccc1[*:1]
CCOC(=O)c1ccc(-c2ccc([C@H]3C(C#N)=C(N)Oc4cc(N)ccc43)o2)cc1 CCOC(=O)[*:1] N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(o1)-c1ccc(cc1)[*:1]
CCC(C)(CC)NC(=O)c1cnc2sc(C)cn2c1=O CCC(C)(CC)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[*:1]
O=C(NCCCO[C@@H]1CCCc2ccccc21)C(=O)Nc1cccnc1 c1cncc(c1)[*:1] O=C(NCCCO[C@@H]1CCCc2ccccc21)C(=O)N[*:1]
CC[C@H](C#N)OC(=O)c1cc(Cl)c(Cl)n1C CC[C@H](C#N)[*:1] Cn1c(cc(Cl)c1Cl)C(=O)O[*:1]
C[C@@H](CC(=O)Nc1ccccc1-c1nncn1C)n1cccc1 c1ccn(c1)[*:1] C[C@@H](CC(=O)Nc1ccccc1-c1nncn1C)[*:1]
C[C@@H](CC(=O)Nc1ccccc1-c1nncn1C)n1cccc1 Cn1cnnc1[*:1] C[C@@H](CC(=O)Nc1ccccc1[*:1])n1cccc1
O=C(NC[C@@H]1CC[C@@H](C(=O)[O-])O1)c1ccc([O-])nn1 O=C([O-])[*:1] O=C(NC[C@@H]1CC[C@@H](O1)[*:1])c1ccc([O-])nn1
CC(C)c1nn(C)c2sc(C(=O)N(C)C[C@H](O)C3CC3)cc12 O[C@H](C1CC1)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N(C)C[*:1]
CC(C)c1nn(C)c2sc(C(=O)N(C)C[C@H](O)C3CC3)cc12 C1CC1[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N(C)C[C@H](O)[*:1]
CC(C)c1nn(C)c2sc(C(=O)N(C)C[C@H](O)C3CC3)cc12 O[C@@H](C[*:1])C1CC1 CC(C)c1nn(C)c2sc(cc12)C(=O)N(C)[*:1]
CC(C)c1nn(C)c2sc(C(=O)N(C)C[C@H](O)C3CC3)cc12 CC(C)[*:1] CN(C[C@H](O)C1CC1)C(=O)c1cc2c(nn(C)c2s1)[*:1]
CCC(CC)N1C[C@@H](CC)[NH2+]CC12CCCC2 CCC(CC)[*:1] CC[C@@H]1CN(C2(CCCC2)C[NH2+]1)[*:1]
O=S(=O)(NCC1(N2CCOCC2)CCCCC1)C1=Cc2ccccc2CC1 C1CN(CCO1)[*:1] O=S(=O)(NCC1(CCCCC1)[*:1])C1=Cc2ccccc2CC1
C=CCCC[C@H](C)[NH+]1CCN(C(=O)N2CCOCC2)CC1 C=CCC[*:1] C[C@@H](C[*:1])[NH+]1CCN(CC1)C(=O)N1CCOCC1
C=CCCC[C@H](C)[NH+]1CCN(C(=O)N2CCOCC2)CC1 C=CCCC[*:1] C[C@H]([NH+]1CCN(CC1)C(=O)N1CCOCC1)[*:1]
C=CCCC[C@H](C)[NH+]1CCN(C(=O)N2CCOCC2)CC1 C=CC[*:1] C[C@@H](CC[*:1])[NH+]1CCN(CC1)C(=O)N1CCOCC1
c1cnc2c(c1)CCC[C@H]2NCCc1ccncc1 c1cc(ccn1)[*:1] c1cnc2c(c1)CCC[C@H]2NCC[*:1]
Cc1ccc(CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)c2cccc(c2)NC(=O)[C@@H]2C[C@@H]2C)c(c1)[*:1]
CCc1c(C)sc(NC(=O)CCCn2cnc([N+](=O)[O-])n2)c1C#N O=[N+]([O-])c1ncn(n1)[*:1] CCc1c(C)sc(NC(=O)CCC[*:1])c1C#N
CCc1c(C)sc(NC(=O)CCCn2cnc([N+](=O)[O-])n2)c1C#N O=[N+]([O-])[*:1] CCc1c(C)sc(NC(=O)CCCn2cnc(n2)[*:1])c1C#N
O=C(NCc1ccc([N+](=O)[O-])cc1)C1=Cc2cc(F)ccc2OC1 O=[N+]([O-])[*:1] O=C(NCc1ccc(cc1)[*:1])C1=Cc2cc(F)ccc2OC1
CC(=O)Nc1ccc(SCC(=O)Nc2cccc(Cl)c2Cl)cc1 CC(=O)N[*:1] O=C(CSc1ccc(cc1)[*:1])Nc1cccc(Cl)c1Cl
Fc1ccccc1N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 Fc1ccccc1[*:1] C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(CC1)[*:1]
Cc1ccc(C2(O)CC[NH+](Cc3cccnc3N)CC2)nc1 Cc1ccc(nc1)[*:1] Nc1ncccc1C[NH+]1CCC(O)(CC1)[*:1]
Cc1ccc(C2(O)CC[NH+](Cc3cccnc3N)CC2)nc1 Nc1ncccc1[*:1] Cc1ccc(nc1)C1(O)CC[NH+](CC1)C[*:1]
CC(=O)N(c1nc(CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)cs1)c1ccccc1F Fc1ccccc1[*:1] CC(=O)N(c1nc(cs1)CN1CCN(CC1)S(=O)(=O)N1CCCCCC1)[*:1]
CC(=O)N(c1nc(CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)cs1)c1ccccc1F CC(=O)N(c1ccccc1F)[*:1] O=S(=O)(N1CCCCCC1)N1CCN(CC1)Cc1csc(n1)[*:1]
O=c1c2ccccc2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] O=c1c2ccccc2ncn1Cc1nc(no1)[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)N(C1CC1)[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] CCCCC(=O)N1CSC[C@@H]1C(=O)N(C1CC1)[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)N(C1CC1)[C@@H](C)C1CC1 C1CC1[*:1] CCCCC(=O)N1CSC[C@@H]1C(=O)N(C1CC1)[C@@H](C)[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)N(C1CC1)[C@@H](C)C1CC1 CCCC[*:1] C[C@@H](C1CC1)N(C(=O)[C@H]1CSCN1C(=O)[*:1])C1CC1
CCCCC(=O)N1CSC[C@@H]1C(=O)N(C1CC1)[C@@H](C)C1CC1 C1CC1[*:1] CCCCC(=O)N1CSC[C@@H]1C(=O)N([C@@H](C)C1CC1)[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)N(C1CC1)[C@@H](C)C1CC1 CCC[*:1] C[C@@H](C1CC1)N(C(=O)[C@H]1CSCN1C(=O)C[*:1])C1CC1
COc1ccccc1[C@@H](C)[NH2+][C@@H](CO)c1ccccc1F Fc1ccccc1[*:1] COc1ccccc1[C@@H](C)[NH2+][C@@H](CO)[*:1]
CCOc1ccccc1CC[NH2+][C@@H](C)C1CCC1 CCO[*:1] C[C@H]([NH2+]CCc1ccccc1[*:1])C1CCC1
CCOc1ccccc1CC[NH2+][C@@H](C)C1CCC1 C1CC(C1)[*:1] CCOc1ccccc1CC[NH2+][C@@H](C)[*:1]
CCOC(=O)C(C)(C)c1nc(CC)no1 CCOC(=O)[*:1] CCc1noc(n1)C(C)(C)[*:1]
CC[C@@H](N/C=C1/C(=O)NC(=O)c2ccccc21)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H](N/C=C1/C(=O)NC(=O)c2ccccc21)[*:1]
COc1ccccc1N(CN1CCCC1=O)C(=O)c1c(F)cccc1Cl O=C1CCCN1[*:1] COc1ccccc1N(C[*:1])C(=O)c1c(F)cccc1Cl
COc1ccccc1N(CN1CCCC1=O)C(=O)c1c(F)cccc1Cl COc1ccccc1[*:1] O=C1CCCN1CN(C(=O)c1c(F)cccc1Cl)[*:1]
COc1ccccc1N(CN1CCCC1=O)C(=O)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] COc1ccccc1N(CN1CCCC1=O)C(=O)[*:1]
COc1ccccc1N(CN1CCCC1=O)C(=O)c1c(F)cccc1Cl O=C1CCCN1C[*:1] COc1ccccc1N(C(=O)c1c(F)cccc1Cl)[*:1]
C[C@@H]1CN([C@@H]2CCC[C@@](CO)([NH2+]C3CC3)C2)C[C@@H](C)O1 C1CC1[*:1] C[C@@H]1CN(C[C@@H](C)O1)[C@@H]1CCC[C@](CO)(C1)[NH2+][*:1]
NNc1ncc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] NNc1ncc(cc1[N+](=O)[O-])[*:1]
NNc1ncc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] NNc1ncc(cc1[*:1])C(F)(F)F
CC(C)[C@@H]1Oc2cc(O)ccc2C(=O)[C@@H]1c1nc2ccccc2[nH]1 CC(C)[*:1] O=C1c2ccc(O)cc2O[C@H]([C@H]1c1nc2ccccc2[nH]1)[*:1]
CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)nc1[O-] c1coc(c1)[*:1] CCc1c(C)nc(nc1[O-])-n1nc(cc1NC(=O)COc1cccc2CC(C)(C)Oc21)[*:1]
CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)nc1[O-] CC1(C)Cc2cccc(c2O1)[*:1] CCc1c(C)nc(nc1[O-])-n1nc(cc1NC(=O)CO[*:1])-c1ccco1
CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)nc1[O-] CC1(C)Cc2cccc(O[*:1])c2O1 CCc1c(C)nc(nc1[O-])-n1nc(cc1NC(=O)C[*:1])-c1ccco1
CCOc1ccc(N2C[C@@H](NC(=O)c3cccc(OC)c3OC)CC2=O)cc1 CCO[*:1] COc1cccc(C(=O)N[C@H]2CC(=O)N(C2)c2ccc(cc2)[*:1])c1OC
CCOc1ccc(N2C[C@@H](NC(=O)c3cccc(OC)c3OC)CC2=O)cc1 CCOc1ccc(cc1)[*:1] COc1cccc(C(=O)N[C@H]2CC(=O)N(C2)[*:1])c1OC
COc1ccc2c(c1)=[NH+][C@@H](C(=O)N1CCC([C@H](C)C(=O)NCc3ccc(Cl)cc3)CC1)C=2 Clc1ccc(cc1)C[*:1] COc1ccc2=C[C@@H]([NH+]=c2c1)C(=O)N1CCC(CC1)[C@H](C)C(=O)N[*:1]
COc1ccc2c(c1)=[NH+][C@@H](C(=O)N1CCC([C@H](C)C(=O)NCc3ccc(Cl)cc3)CC1)C=2 Clc1ccc(cc1)[*:1] COc1ccc2=C[C@@H]([NH+]=c2c1)C(=O)N1CCC(CC1)[C@H](C)C(=O)NC[*:1]
CC(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)NNC(=O)c1ccc(Cl)c(c1)[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2(C)Cc3ccccc3C2)c1 CN(C)S(=O)(=O)[*:1] CC1(Cc2ccccc2C1)NC(=O)c1cc(ccc1Cl)[*:1]
CC(C)[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] CC(C)[C@@H](NC(=O)NNC(=O)Cc1ccncc1)[*:1]
CC(C)[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1nnc2ccccn12 c1cc(ccn1)C[*:1] CC(C)[C@@H](NC(=O)NNC(=O)[*:1])c1nnc2ccccn12
CC(C)[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1nnc2ccccn12 c1cc(ccn1)[*:1] CC(C)[C@@H](NC(=O)NNC(=O)C[*:1])c1nnc2ccccn12
CC(C)[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1nnc2ccccn12 CC(C)[*:1] O=C(Cc1ccncc1)NNC(=O)N[C@@H](c1nnc2ccccn12)[*:1]
C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1cn(nc1-c1ccccc1)[*:1]
C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1cn(nc1[*:1])-c1ccccc1
CCN(Cc1nc(C)c2ccccc2n1)C[C@@H](O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(Cc1nc(C)c2ccccc2n1)C[C@@H](O)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1 Cc1ccc(cc1)[*:1] CC[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n([nH]1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1 CC[C@@H](C)[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N[C@@H](C)C[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1 CC[C@@H](C)C[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N[C@@H](C)[*:1]
CCn1/c(=N/C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)sc2c(OC)ccc(OC)c21 c1csc(c1)[*:1] CCn1/c(=N/C(=O)[C@@H]2CCCN(C2)S(=O)(=O)[*:1])sc2c(ccc(OC)c21)OC
COCC[C@]1(CO)CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 COC[*:1] O=C(Cc1cccc(c1)C(F)(F)F)N1CCC[C@](CO)(C1)C[*:1]
COCC[C@]1(CO)CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] COCC[C@]1(CO)CCCN(C1)C(=O)Cc1cccc(c1)[*:1]
COCC[C@]1(CO)CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 COCC[*:1] O=C(Cc1cccc(c1)C(F)(F)F)N1CCC[C@@](CO)(C1)[*:1]
Cc1c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
Cc1c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cnn1-c1ccc(F)cc1 CC(C)(C)[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)NC1CCN(CC1)C(=O)O[*:1]
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccc(F)cc1F O=C([O-])[*:1] O=C(N[C@H](Cc1c[nH]c2ccccc12)[*:1])c1ccc(F)cc1F
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[*:1]
CCNC(=O)/C=C/c1cc2c(cc1OCC)C[C@H](C)O2 CCO[*:1] CCNC(=O)/C=C/c1cc2O[C@@H](C)Cc2cc1[*:1]
CCNC(=O)/C=C/c1cc2c(cc1OCC)C[C@H](C)O2 CCNC(=O)[*:1] CCOc1cc2C[C@H](C)Oc2cc1C=C[*:1]
COc1cc(C(=S)N2CCN(CCO)CC2)cc(OC)c1O OCC[*:1] COc1cc(cc(OC)c1O)C(=S)N1CCN(CC1)[*:1]
ClC(Cl)(Cl)[C@@]1(C2CC2)CO1 C1CC1[*:1] ClC(Cl)(Cl)[C@]1(CO1)[*:1]
O=C([O-])Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] O=C([O-])Cc1cccc(c1)NS(=O)(=O)[*:1]
O=C([O-])Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 O=C([O-])[*:1] O=S(=O)(Nc1cccc(c1)C[*:1])c1cccc(Cl)c1
O=C([O-])Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 O=C([O-])C[*:1] O=S(=O)(Nc1cccc(c1)[*:1])c1cccc(Cl)c1
O=C(NCCCCn1cnnc1)c1ccc(F)cc1 c1nncn1C[*:1] O=C(NCCC[*:1])c1ccc(F)cc1
O=C(NCCCCn1cnnc1)c1ccc(F)cc1 c1nncn1[*:1] O=C(NCCCC[*:1])c1ccc(F)cc1
Cc1ncsc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl Cc1ncsc1[*:1] O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)[*:1]
CC(C)c1cc(C(=O)NC(C)(CO)CO)n(C)n1 CC(CO)(CO)[*:1] CC(C)c1cc(C(=O)N[*:1])n(C)n1
CC(C)c1cc(C(=O)NC(C)(CO)CO)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)NC(C)(CO)CO)[*:1]
CN1CCN(C(=O)c2cccc(-c3ccoc3)c2)c2ccccc21 c1cc(co1)[*:1] CN1CCN(C(=O)c2cccc(c2)[*:1])c2ccccc21
Cc1c(NC(=O)CC/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C C(=C[*:1])c1ccccc1 Cc1c(NC(=O)CC[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)CC/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)CCC=C[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)CC/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C C(=C/c1ccccc1)\C[*:1] Cc1c(NC(=O)C[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)CC/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)CC/C=C/c2ccccc2)c(=O)n(n1C)[*:1]
CCCOc1cccc(NC(=O)Nc2cnn(CCC)c2)c1 CCC[*:1] CCCn1cc(cn1)NC(=O)Nc1cccc(c1)O[*:1]
CCCOc1cccc(NC(=O)Nc2cnn(CCC)c2)c1 CCC[*:1] CCCOc1cccc(c1)NC(=O)Nc1cnn(c1)[*:1]
CCCOc1cccc(NC(=O)Nc2cnn(CCC)c2)c1 CCCO[*:1] CCCn1cc(cn1)NC(=O)Nc1cccc(c1)[*:1]
CNC(=O)CN1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1 CNC(=O)[*:1] O=C(N1CCN(CC1)C[*:1])C(O)(c1ccccc1)c1ccccc1
CNC(=O)CN1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)CN1CCN(CC1)C(=O)C(O)(c1ccccc1)[*:1]
CNC(=O)CN1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1 CNC(=O)C[*:1] O=C(N1CCN(CC1)[*:1])C(O)(c1ccccc1)c1ccccc1
COCCCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 COCC[*:1] O=C(C[*:1])N1CCCC[C@H]1[C@H]1CCC[NH2+]1
COCCCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 COCCC[*:1] O=C(N1CCCC[C@H]1[C@H]1CCC[NH2+]1)[*:1]
COCCCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 COC[*:1] O=C(CC[*:1])N1CCCC[C@H]1[C@H]1CCC[NH2+]1
CCSc1ccc([C@@H](C)NC(=O)N[C@@H]2CCC[C@@]2(C)CO)cc1 CCS[*:1] C[C@@H](NC(=O)N[C@@H]1CCC[C@@]1(C)CO)c1ccc(cc1)[*:1]
NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 NS(=O)(=O)C[*:1] O=C(CCc1ccccc1Cl)N1CCC[C@H](C1)[*:1]
NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 Clc1ccccc1[*:1] NS(=O)(=O)C[C@@H]1CCCN(C1)C(=O)CC[*:1]
NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 NS(=O)(=O)[*:1] O=C(CCc1ccccc1Cl)N1CCC[C@H](C1)C[*:1]
Cc1cc(N2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)nc(C)[nH+]1 Clc1ccc(cc1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)CC(=O)NC[*:1]
Cc1cc(N2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)nc(C)[nH+]1 Clc1ccc(cc1)C[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)CC(=O)N[*:1]
O=C(C[C@H]1CSC2=N[C@H]3CCCC[C@@H]3C(=O)N21)OCc1cc(-c2ccc3c(c2)OCO3)on1 c1cc2OCOc2cc1[*:1] O=C(C[C@H]1CSC2=N[C@H]3CCCC[C@@H]3C(=O)N21)OCc1cc(on1)[*:1]
CS[C@H]1CCC[C@H](NC(=O)NCCCC(C)(C)CO)C1 CC(C)(CO)[*:1] CS[C@H]1CCC[C@@H](C1)NC(=O)NCCC[*:1]
CS[C@H]1CCC[C@H](NC(=O)NCCCC(C)(C)CO)C1 CC(C)(CO)C[*:1] CS[C@H]1CCC[C@@H](C1)NC(=O)NCC[*:1]
COC(=O)[C@@H]1CN(C(=O)c2snnc2C(C)(C)C)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@H]1[*:1])C(=O)c1snnc1C(C)(C)C
COC(=O)[C@@H]1CN(C(=O)c2snnc2C(C)(C)C)C[C@@H]1C CC(C)(C)[*:1] COC(=O)[C@@H]1CN(C[C@@H]1C)C(=O)c1snnc1[*:1]
CC(C)n1nccc1NC(=O)[C@@]1(C)Oc2ccccc2NC1=O CC(C)[*:1] C[C@@]1(Oc2ccccc2NC1=O)C(=O)Nc1ccnn1[*:1]
CCCCc1nnc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)s1 CCCC[*:1] C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)s1 CCC[*:1] C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1nnc(C[*:1])s1
Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccnc1)N1N=CNC1=N2 Fc1ccccc1[*:1] C1=NN2C(=NC3=C([C@H]2c2cccnc2)[C@@H](Oc2ccccc23)[*:1])N1
Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccnc1)N1N=CNC1=N2 c1cncc(c1)[*:1] Fc1ccccc1[C@@H]1Oc2ccccc2C2N=C3NC=NN3[C@H](C=21)[*:1]
COc1ccc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C(=O)[C@H](C#N)c1ccc(cn1)[*:1]
COc1ccc2c(CNc3ccccc3C)cc(=O)oc2c1 Cc1ccccc1[*:1] COc1ccc2c(cc(=O)oc2c1)CN[*:1]
CCS(=O)(=O)CCN(C)C(=O)CC[C@@H]1CCCOC1 C1COC[C@@H](C1)[*:1] CCS(=O)(=O)CCN(C)C(=O)CC[*:1]
CCS(=O)(=O)CCN(C)C(=O)CC[C@@H]1CCCOC1 CCS(=O)(=O)C[*:1] CN(C[*:1])C(=O)CC[C@@H]1CCCOC1
CCS(=O)(=O)CCN(C)C(=O)CC[C@@H]1CCCOC1 CCS(=O)(=O)[*:1] CN(CC[*:1])C(=O)CC[C@@H]1CCCOC1
O=C(Nc1ccnn1C1CCCC1)c1ccc(NC(=O)C2CC2)s1 O=C(N[*:1])C1CC1 O=C(Nc1ccnn1C1CCCC1)c1ccc(s1)[*:1]
O=C(Nc1ccnn1C1CCCC1)c1ccc(NC(=O)C2CC2)s1 C1CC1[*:1] O=C(Nc1ccnn1C1CCCC1)c1ccc(NC(=O)[*:1])s1
O=C(Nc1ccnn1C1CCCC1)c1ccc(NC(=O)C2CC2)s1 C1CCC(C1)[*:1] O=C(Nc1ccnn1[*:1])c1ccc(NC(=O)C2CC2)s1
COc1cccc(C[NH+](C)CC(=O)Nc2ccccc2Br)c1 Brc1ccccc1[*:1] COc1cccc(c1)C[NH+](C)CC(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)Cc2cccc(C)c2)CC3)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCOC12CCN(CC2)S(=O)(=O)C[*:1]
Cc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)Cc2cccc(C)c2)CC3)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)CS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)Cc2cccc(C)c2)CC3)cc1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCOC12CCN(CC2)S(=O)(=O)[*:1]
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCc1nc(C(C)C)no1 CC(C)c1noc(n1)[*:1] Cc1cc2c(CC(C)(C)C[C@H]2NC(=O)CC[*:1])o1
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCc1nc(C(C)C)no1 CC(C)[*:1] Cc1cc2c(CC(C)(C)C[C@H]2NC(=O)CCc2nc(no2)[*:1])o1
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(C[NH+]1CCN(CC1)c1ccccc1)N[*:1]
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C[NH+]2CCN(CC2)[*:1])c(C)c1
CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2C)cc1 Cc1ccccc1CN[*:1] CCc1ccc(cc1)S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1[*:1]
CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2C)cc1 Cc1ccccc1[*:1] CCc1ccc(cc1)S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC[*:1]
CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2C)cc1 Cc1ccccc1C[*:1] CCc1ccc(cc1)S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1N[*:1]
CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2C)cc1 CCc1ccc(cc1)[*:1] Cc1ccccc1CN[C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)[*:1]
O=C(NCCNC(=O)c1ccc(Br)cc1F)c1ccccc1O Oc1ccccc1[*:1] O=C(NCCNC(=O)[*:1])c1ccc(Br)cc1F
Cc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)nc1 Cc1ccc(nc1)[*:1] CS(=O)(=O)N1C[C@H](Oc2ccccc21)C(=O)N[*:1]
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2c1CC[C@@H](C)C2 COC(=O)[*:1] CC(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2C[C@H](C)CCc2c1[*:1]
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2c1CC[C@@H](C)C2 CC(C)S(=O)(=O)[*:1] COC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc2C[C@H](C)CCc21
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2c1CC[C@@H](C)C2 CC(C)[*:1] COC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)[*:1])sc2C[C@H](C)CCc21
C[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)N(C)C c1csc(c1)[*:1] C[C@H](Sc1nnc(C[*:1])n1C1CCCCC1)C(=O)N(C)C
C[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)[*:1]
C[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)N(C)C C1CCC(CC1)[*:1] C[C@H](Sc1nnc(Cc2cccs2)n1[*:1])C(=O)N(C)C
C[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)N(C)C c1csc(c1)C[*:1] C[C@H](Sc1nnc(n1C1CCCCC1)[*:1])C(=O)N(C)C
C[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)N(C)C C[C@H](S[*:1])C(=O)N(C)C c1csc(c1)Cc1nnc(n1C1CCCCC1)[*:1]
O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(c1)[*:1]
C(=C/c1ccco1)\C[NH+]1CCC(Cc2noc(C3CC3)n2)CC1 C(=C[*:1])c1ccco1 C1C[NH+](CCC1Cc1noc(n1)C1CC1)C[*:1]
C(=C/c1ccco1)\C[NH+]1CCC(Cc2noc(C3CC3)n2)CC1 C1CC1[*:1] C(=C/c1ccco1)\C[NH+]1CCC(CC1)Cc1noc(n1)[*:1]
C(=C/c1ccco1)\C[NH+]1CCC(Cc2noc(C3CC3)n2)CC1 c1coc(c1)[*:1] C(=C[*:1])C[NH+]1CCC(CC1)Cc1noc(n1)C1CC1
CCCN1CCN(C(=O)Cn2nc(C)cc2C)CC1 CCC[*:1] Cc1cc(C)n(CC(=O)N2CCN(CC2)[*:1])n1
COc1cccc2cc(C(=O)N3CC(c4nc(C5CC5)no4)C3)oc12 C1CC1[*:1] COc1cccc2cc(oc12)C(=O)N1CC(C1)c1nc(no1)[*:1]
COc1cccc2cc(C(=O)N3CC(c4nc(C5CC5)no4)C3)oc12 C1CC1c1noc(n1)[*:1] COc1cccc2cc(oc12)C(=O)N1CC(C1)[*:1]
O=C(Nc1ccc(Oc2cccnc2)nc1)N1CCc2cc(F)ccc2C1 c1cncc(c1)[*:1] O=C(Nc1ccc(nc1)O[*:1])N1CCc2cc(F)ccc2C1
O=C(Nc1ccc(Oc2cccnc2)nc1)N1CCc2cc(F)ccc2C1 c1cncc(c1)O[*:1] O=C(Nc1ccc(nc1)[*:1])N1CCc2cc(F)ccc2C1
CC1(NC(=O)[C@H]2CCCOC2)Cc2ccccc2C1 C1COC[C@H](C1)[*:1] CC1(Cc2ccccc2C1)NC(=O)[*:1]
CCOc1ccc(F)c(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1F CS(=O)(=O)[*:1] CCOc1ccc(F)c(C(=O)N[C@H]2CCC[C@@H](C2)[*:1])c1F
CCOc1ccc(F)c(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1F CCO[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)NC(=O)c1c(F)ccc(c1F)[*:1]
O=C(NCc1nc(-c2ccco2)n[nH]1)N1CCc2ccc(Cl)cc2C1 c1coc(c1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])N1CCc2ccc(Cl)cc2C1
COc1ccccc1[C@H]1CCCN1C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O COc1ccccc1[*:1] O=C1C[C@@](CC(=O)N2CCC[C@@H]2[*:1])(C(=O)N1Cc1cccs1)c1ccccc1
COc1ccccc1[C@H]1CCCN1C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O c1ccc(cc1)[*:1] COc1ccccc1[C@H]1CCCN1C(=O)C[C@@]1(CC(=O)N(Cc2cccs2)C1=O)[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O c1csc(c1)[*:1] COc1ccccc1[C@H]1CCCN1C(=O)C[C@@]1(CC(=O)N(C[*:1])C1=O)c1ccccc1
COc1ccccc1[C@H]1CCCN1C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O c1csc(c1)C[*:1] COc1ccccc1[C@H]1CCCN1C(=O)C[C@@]1(CC(=O)N(C1=O)[*:1])c1ccccc1
O=S(=O)(Cc1ccc(Br)cc1)NCc1cccnc1 c1cncc(c1)[*:1] O=S(=O)(Cc1ccc(Br)cc1)NC[*:1]
CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(OC)ccc1OC CC[C@@H](C)[*:1] COc1ccc(OC)c(c1)N1/C(=N\C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1noc(C)c1N(C)C(=O)/C=C/c1nc2ccccc2s1 Cc1noc(C)c1[*:1] CN(C(=O)/C=C/c1nc2ccccc2s1)[*:1]
CCCSCC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 CCC[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)CS[*:1]
CCCSCC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 CCCSC[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)[*:1]
CCCSCC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 CCCS[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)C[*:1]
CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nc(C)no2)cc1 c1ccc(cc1)C[*:1] CC[C@H](NC(=O)c1ccc(cc1)-c1nc(C)no1)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nc(C)no2)cc1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)c1ccc(cc1)-c1nc(C)no1
CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nc(C)no2)cc1 Cc1noc(n1)[*:1] CC[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)[*:1]
O=C(NCC[C@@H](O)c1cccc2ccccc12)c1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(NCC[C@@H](O)c1cccc2ccccc12)[*:1]
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] O=C(Nc1ccc(F)c(c1)[N+](=O)[O-])c1cccc(c1)[*:1]
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(OC[C@@H]2CCCO2)c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1cccc(c1)OC[C@@H]1CCCO1
O=C(CCc1nc(-c2cccs2)no1)Nc1ccnn1Cc1ccc(Br)cc1 Brc1ccc(cc1)C[*:1] O=C(CCc1nc(no1)-c1cccs1)Nc1ccnn1[*:1]
O=C(CCc1nc(-c2cccs2)no1)Nc1ccnn1Cc1ccc(Br)cc1 c1csc(c1)[*:1] O=C(CCc1nc(no1)[*:1])Nc1ccnn1Cc1ccc(Br)cc1
O=C(CCc1nc(-c2cccs2)no1)Nc1ccnn1Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCc1nc(no1)-c1cccs1)Nc1ccnn1C[*:1]
C#CCN1CCN(CC(=O)NC(C)(C)CC)CC1 C#CC[*:1] CCC(C)(C)NC(=O)CN1CCN(CC1)[*:1]
C#CCN1CCN(CC(=O)NC(C)(C)CC)CC1 CCC(C)(C)[*:1] C#CCN1CCN(CC1)CC(=O)N[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 CS(=O)(=O)[*:1] O=S1(=O)CCC[C@H](C1)[NH2+][C@@H]1CCC[C@@H](C1)[*:1]
O=C(Nc1ccc2c(c1)COC2)N(CCO)[C@@H]1CCCc2ccccc21 OCC[*:1] O=C(Nc1ccc2COCc2c1)N([C@@H]1CCCc2ccccc21)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F Clc1cccc(c1)[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H](C)O[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F Clc1cccc(c1)O[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H](C)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H](C)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F Fc1ccccc1[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H](C)O[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CN(C)CCO1 CN1CCO[C@@H](C1)[*:1] CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CN(C)CCO1 CC(C)[*:1] CN1CCO[C@H](CNC(=O)[C@@H](NC(=O)c2ccco2)[*:1])C1
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CN(C)CCO1 c1coc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NC[C@@H]1CN(C)CCO1
Cc1nn(C)c(C)c1CCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 Cc1nn(C)c(C)c1C[*:1] O=C(NC[*:1])N[C@H](c1cccc(c1)C(F)(F)F)C1CC1
Cc1nn(C)c(C)c1CCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] Cc1nn(C)c(C)c1CCNC(=O)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
Cc1nn(C)c(C)c1CCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] Cc1nn(C)c(C)c1CCNC(=O)N[C@H](c1cccc(c1)[*:1])C1CC1
Cc1nn(C)c(C)c1CCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 Cc1nn(C)c(C)c1[*:1] O=C(NCC[*:1])N[C@H](c1cccc(c1)C(F)(F)F)C1CC1
CC(C)NC(=O)[C@@H](C)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 CC(C)[*:1] C[C@H](C(=O)N[*:1])N1CCc2onc(-c3ccc(cc3)C(F)(F)F)c2C1
CC(C)NC(=O)[C@@H](C)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 CC(C)NC(=O)[*:1] C[C@@H](N1CCc2onc(-c3ccc(cc3)C(F)(F)F)c2C1)[*:1]
CC(C)NC(=O)[C@@H](C)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 CC(C)NC(=O)[C@@H](C)[*:1] FC(F)(F)c1ccc(cc1)-c1noc2CCN(Cc12)[*:1]
CC(C)NC(=O)[C@@H](C)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 FC(F)(F)[*:1] CC(C)NC(=O)[C@@H](C)N1CCc2onc(-c3ccc(cc3)[*:1])c2C1
O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cn2cccnc2n1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C1CC1)c1cn2cccnc2n1
O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cn2cccnc2n1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C1CC1)[*:1])c1cn2cccnc2n1
O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cn2cccnc2n1 C1CC1[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1cn2cccnc2n1
N/C(=N/OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 O=[N+]([O-])[*:1] N/C(=N/OCc1ccc(cc1F)[*:1])[C@@H]1CCOC1
CC(C)(C)OC(=O)N1CC[C@@]2(C1)SCC[C@H]2CO CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@]2(C1)SCC[C@H]2CO
COC(=O)c1cc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc(C(=O)OC)c1 COC(=O)[*:1] COC(=O)c1cc(cc(c1)[*:1])NC(=O)[C@@H]1Cc2ccc(C)cc2S1
O=C1CN(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c2ccccc2N1 O=S(=O)(N1CCOCC1)[*:1] O=C1CN(C(=O)COC(=O)c2cc(ccc2F)[*:1])c2ccccc2N1
C[C@@H](NC(=O)C1CC1)c1ccc2c(c1)OCO2 C1CC1[*:1] C[C@@H](NC(=O)[*:1])c1ccc2OCOc2c1
Cc1ccc2c(c1)=C[C@H](CN(C(=O)C(C)C)C(C)C)C(=O)[NH+]=2 CC(C)[*:1] Cc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C(=O)[*:1])C(C)C
Cc1ccc2c(c1)=C[C@H](CN(C(=O)C(C)C)C(C)C)C(=O)[NH+]=2 CC(C)[*:1] Cc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C(=O)C(C)C)[*:1]
Cc1oc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N1CCO[C@@H]2CCCC[C@H]21
Cc1nc(C)c(CC(=O)Nc2ccnn2C(C)C)c(=O)[nH]1 CC(C)[*:1] Cc1nc(C)c(CC(=O)Nc2ccnn2[*:1])c(=O)[nH]1
C[C@@H](CNC(=O)N(CCO)Cc1ccsc1)c1ccsc1 c1cc(cs1)C[*:1] C[C@@H](CNC(=O)N(CCO)[*:1])c1ccsc1
C[C@@H](CNC(=O)N(CCO)Cc1ccsc1)c1ccsc1 C[C@@H](c1ccsc1)[*:1] O=C(NC[*:1])N(CCO)Cc1ccsc1
C[C@@H](CNC(=O)N(CCO)Cc1ccsc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)N(CCO)C[*:1])c1ccsc1
C[C@@H](CNC(=O)N(CCO)Cc1ccsc1)c1ccsc1 OCC[*:1] C[C@@H](CNC(=O)N(Cc1ccsc1)[*:1])c1ccsc1
C[C@@H](CNC(=O)N(CCO)Cc1ccsc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)N(CCO)Cc1ccsc1)[*:1]
O=C(c1ccc(O)cc1)C1CCN(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)CC1 Oc1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N1CCC(CC1)C(=O)[*:1]
O=C(c1ccc(O)cc1)C1CCN(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)CC1 O=C(c1ccc(O)cc1)[*:1] O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N1CCC(CC1)[*:1]
N#Cc1cccc(/C=C/C(=O)Nc2nc(CC(N)=O)cs2)c1 NC(=O)C[*:1] N#Cc1cccc(/C=C/C(=O)Nc2nc(cs2)[*:1])c1
N#Cc1cccc(/C=C/C(=O)Nc2nc(CC(N)=O)cs2)c1 NC(=O)[*:1] N#Cc1cccc(/C=C/C(=O)Nc2nc(cs2)C[*:1])c1
Cc1ccc(C)c(S(=O)(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)c1 Cc1ccc(C)c(c1)[*:1] O=C1NC2(CCN(CC2)S(=O)(=O)[*:1])Nc2ccccc21
O=C1NC[C@H]2CN(c3cccc(F)c3[N+](=O)[O-])CCN12 O=[N+]([O-])[*:1] O=C1NC[C@H]2CN(CCN12)c1cccc(F)c1[*:1]
CCc1ccc([C@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1 C1CN(CCO1)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
CCc1ccc([C@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1 CCc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)N1CCOCC1)[*:1]
Cc1nc(C(=O)N[C@H](C)c2ccc(Cl)s2)ccc1C#N Clc1ccc(s1)[*:1] Cc1nc(ccc1C#N)C(=O)N[C@H](C)[*:1]
COc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1NS(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1NS(=O)(=O)[*:1])NS(=O)(=O)c1c(C)noc1C
COc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1NS(=O)(=O)c1ccc(F)cc1 Cc1noc(C)c1[*:1] COc1ccc(cc1NS(=O)(=O)c1ccc(F)cc1)NS(=O)(=O)[*:1]
CCC[NH2+][C@H]1CCC[C@H](n2cccn2)C1 c1cnn(c1)[*:1] CCC[NH2+][C@H]1CCC[C@H](C1)[*:1]
CCC[NH2+][C@H]1CCC[C@H](n2cccn2)C1 CCC[*:1] c1cnn(c1)[C@H]1CCC[C@@H](C1)[NH2+][*:1]
CC(=O)N[C@@H](C[NH2+]CCc1ccc(F)cc1C)C(=O)[O-] CC(=O)N[*:1] Cc1cc(F)ccc1CC[NH2+]C[C@@H](C(=O)[O-])[*:1]
CC(=O)N[C@@H](C[NH2+]CCc1ccc(F)cc1C)C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H](C[NH2+]CCc1ccc(F)cc1C)[*:1]
COc1ccc2oc(C)c(C(=O)NNC(=O)[C@H]3CCCO3)c2c1 C1CO[C@H](C1)[*:1] COc1ccc2oc(C)c(C(=O)NNC(=O)[*:1])c2c1
CO[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 Cn1ccnc1[*:1] CO[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(s1)[*:1]
CO[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 c1ccc(cc1)[*:1] CO[C@@H](C)C(=O)Nc1nc(c(s1)-c1nccn1C)[*:1]
CO[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 CO[C@@H](C)C(=O)N[*:1] Cn1ccnc1-c1sc(nc1-c1ccccc1)[*:1]
CO[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 CO[C@@H](C)[*:1] Cn1ccnc1-c1sc(nc1-c1ccccc1)NC(=O)[*:1]
CCc1nnc(NC(=O)NCCc2c[nH]c3ccc(OC)cc23)s1 CCc1nnc(s1)[*:1] COc1ccc2[nH]cc(CCNC(=O)N[*:1])c2c1
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 O=[N+]([O-])[*:1] O=S(=O)(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=S(=O)(c1ccc(cc1)NS(=O)(=O)[*:1])N1CCCCCC1
CC(C)n1c(N)nnc1S[C@@H](C)[C@H](C)C(=O)NN CC(C)[*:1] C[C@H](Sc1nnc(N)n1[*:1])[C@H](C)C(=O)NN
CC(C)n1c(N)nnc1S[C@@H](C)[C@H](C)C(=O)NN NNC(=O)[*:1] CC(C)n1c(N)nnc1S[C@@H](C)[C@H](C)[*:1]
CC(C)n1c(N)nnc1S[C@@H](C)[C@H](C)C(=O)NN C[C@H](C(=O)NN)[*:1] CC(C)n1c(N)nnc1S[C@@H](C)[*:1]
CN(C[C@H](O)c1ccc(F)c(F)c1)[C@@H](CCO)c1ccccc1 OCC[*:1] CN(C[C@H](O)c1ccc(F)c(F)c1)[C@@H](c1ccccc1)[*:1]
CN(C[C@H](O)c1ccc(F)c(F)c1)[C@@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] CN(C[C@H](O)c1ccc(F)c(F)c1)[C@@H](CCO)[*:1]
COc1cccc(/C=C(/CCC(=O)[O-])C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(C=C(CCC(=O)[O-])[*:1])c1
COc1cccc(/C=C(/CCC(=O)[O-])C(=O)[O-])c1 O=C([O-])C[*:1] COc1cccc(/C=C(/C[*:1])C(=O)[O-])c1
COc1cccc(/C=C(/CCC(=O)[O-])C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(/C=C(/CC[*:1])C(=O)[O-])c1
COc1cccc(/C=C(/CCC(=O)[O-])C(=O)[O-])c1 O=C([O-])CC[*:1] COc1cccc(/C=C(\C(=O)[O-])[*:1])c1
Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CCC[C@H]1c1ccccc1F)[*:1]
C[C@@H](C1CC1)N(C)C(=O)NCC(=O)N1CCCCC1 C[C@@H](C1CC1)[*:1] CN(C(=O)NCC(=O)N1CCCCC1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)NCC(=O)N1CCCCC1 C1CC1[*:1] C[C@@H](N(C)C(=O)NCC(=O)N1CCCCC1)[*:1]
COc1ccc(CN2C[C@H]3CN(Cc4ccccc4)CCN3C2=O)cc1 COc1ccc(cc1)[*:1] O=C1N(C[C@H]2CN(CCN12)Cc1ccccc1)C[*:1]
COc1ccc(CN2C[C@H]3CN(Cc4ccccc4)CCN3C2=O)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)CN1C[C@H]2CN(CCN2C1=O)[*:1]
COc1ccc(CN2C[C@H]3CN(Cc4ccccc4)CCN3C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CN1C[C@H]2CN(CCN2C1=O)C[*:1]
c1ccc(OCC2CC[NH+](Cc3ccoc3)CC2)cc1 c1cc(co1)C[*:1] c1ccc(cc1)OCC1CC[NH+](CC1)[*:1]
c1ccc(OCC2CC[NH+](Cc3ccoc3)CC2)cc1 c1cc(co1)[*:1] c1ccc(cc1)OCC1CC[NH+](CC1)C[*:1]
c1ccc(OCC2CC[NH+](Cc3ccoc3)CC2)cc1 c1ccc(cc1)[*:1] c1cc(co1)C[NH+]1CCC(CC1)CO[*:1]
CC(=O)c1ccc(NC(=O)c2c(C)sc3ncnc(N4CCCCCC4)c23)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1sc2ncnc(c2c1C(=O)N[*:1])N1CCCCCC1
CC(=O)c1ccc(NC(=O)c2c(C)sc3ncnc(N4CCCCCC4)c23)cc1 C1CCCN(CC1)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1c(C)sc2ncnc(c12)[*:1]
CC(=O)c1ccc(NC(=O)c2c(C)sc3ncnc(N4CCCCCC4)c23)cc1 CC(=O)[*:1] Cc1sc2ncnc(c2c1C(=O)Nc1ccc(cc1)[*:1])N1CCCCCC1
Cc1cnc2c(c1)N(S(=O)(=O)c1cnn(C)c1)CCO2 Cn1cc(cn1)[*:1] Cc1cnc2OCCN(c2c1)S(=O)(=O)[*:1]
COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ccc2O[C@@H](C3=C(N=C4N=CNN4[C@H]3c3ccccc3)c2c1)[*:1]
COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1Oc2ccc(C)cc2C2N=C3N=CNN3[C@@H](C=21)[*:1]
C/C=C/C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] CC=C[*:1] O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)[*:1]
C/C=C/C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] C/C=C/C(=O)N[*:1] O=C([O-])[C@H](Cc1ccc(F)cc1)[*:1]
C/C=C/C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] O=C([O-])[*:1] C/C=C/C(=O)N[C@@H](Cc1ccc(F)cc1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCCC2)c(C)c1 c1csc(c1)[*:1] CCC(=O)Nc1ccc(c(C)c1)S(=O)(=O)NCC1(CCCCC1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCCC2)c(C)c1 CCC(=O)N[*:1] Cc1cc(ccc1S(=O)(=O)NCC1(CCCCC1)c1cccs1)[*:1]
CCOc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2occc12 CCO[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1cc(c2ccoc2c1)[*:1]
Cc1csc([C@H](C)NC(=O)N2CCCCCC2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)N1CCCCCC1)[*:1]
Cc1ocnc1CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)[*:1] Cc1ocnc1CNC(=O)[C@@H](C[*:1])n1cnnn1
Cc1ocnc1CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 Cc1ocnc1[*:1] O=C(NC[*:1])[C@@H](Cc1ccccc1)n1cnnn1
Cc1ocnc1CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)C[*:1] Cc1ocnc1CNC(=O)[C@@H](n1cnnn1)[*:1]
Cc1ocnc1CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 Cc1ocnc1C[*:1] O=C(N[*:1])[C@@H](Cc1ccccc1)n1cnnn1
Cc1ocnc1CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 c1nnnn1[*:1] Cc1ocnc1CNC(=O)[C@@H](Cc1ccccc1)[*:1]
COc1ccc(C(=O)NNC(=O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)NNC(=O)[*:1]
C[C@@H](CS(=O)(=O)[N-]c1ccc(-n2cccn2)cc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=S(=O)(C[*:1])[N-]c1ccc(cc1)-n1cccn1
C[C@@H](CS(=O)(=O)[N-]c1ccc(-n2cccn2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CS(=O)(=O)[N-]c1ccc(cc1)-n1cccn1)[*:1]
C[C@@H](CS(=O)(=O)[N-]c1ccc(-n2cccn2)cc1)c1ccccc1 c1cnn(c1)[*:1] C[C@@H](CS(=O)(=O)[N-]c1ccc(cc1)[*:1])c1ccccc1
Cc1ccc(C(=O)N2CCN(Cc3cc(C#N)cs3)CC2)o1 Cc1ccc(o1)[*:1] N#Cc1csc(c1)CN1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(Cc3cc(C#N)cs3)CC2)o1 N#Cc1csc(c1)[*:1] Cc1ccc(o1)C(=O)N1CCN(CC1)C[*:1]
Cc1nc(CNc2cccc(S(=O)(=O)N3CCCCC3)c2)no1 Cc1nc(no1)[*:1] O=S(=O)(c1cccc(c1)NC[*:1])N1CCCCC1
Cc1nc(CNc2cccc(S(=O)(=O)N3CCCCC3)c2)no1 Cc1nc(C[*:1])no1 O=S(=O)(c1cccc(c1)N[*:1])N1CCCCC1
CCOc1cccc(NC(=O)C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)NC(=O)C(=O)N[*:1]
CCOc1cccc(NC(=O)C(=O)Nc2ccccc2)c1 CCO[*:1] O=C(Nc1ccccc1)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(C)cc1NC(=O)N1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] COc1ccc(C)cc1NC(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(C)cc1NC(=O)N1CCN(C(=O)c2ccccc2F)CC1 COc1ccc(C)cc1[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1ccccc1F
Cc1cccc(NC(=O)NCC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c1 Cc1cccc(c1)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CNC(=O)N[*:1]
Cc1cccc(NC(=O)NCC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c1 Cc1n[nH]c(C)c1[*:1] Cc1cccc(c1)NC(=O)NCC(=O)N1CCC[C@@H]1[*:1]
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccc(cc1C(=O)Nc1cnn(c1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccccc2F)c1 O=[N+]([O-])[*:1] Cc1ccc(cc1C(=O)Nc1cnn(c1)-c1ccccc1F)[*:1]
CC[S@@](=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 Fc1ccc(cc1F)[*:1] CC[S@@](=O)c1ccccc1C(=O)Nc1ncc(C[*:1])s1
CC[S@@](=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 Fc1ccc(cc1F)C[*:1] CC[S@@](=O)c1ccccc1C(=O)Nc1ncc(s1)[*:1]
O=C(Cn1nnc2ccccc2c1=O)OCc1ncc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C(Cn1nnc2ccccc2c1=O)OCc1ncc(o1)[*:1]
NC1=NC(=O)C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)S1 FC(F)(F)[*:1] NC1=NC(=O)C[C@H](S1)C(=O)Nc1cccc(c1)[*:1]
CCNC(=O)CN(CC)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 CCNC(=O)[*:1] CCN(C[*:1])C(=O)Cn1c(=O)oc2cc(ccc21)[N+](=O)[O-]
CCNC(=O)CN(CC)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 CCNC(=O)C[*:1] CCN(C(=O)Cn1c(=O)oc2cc(ccc21)[N+](=O)[O-])[*:1]
CCNC(=O)CN(CC)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CCNC(=O)CN(CC)C(=O)Cn1c(=O)oc2cc(ccc21)[*:1]
O=C(NCCNc1ncccc1C(F)(F)F)c1ccoc1 FC(F)(F)[*:1] O=C(NCCNc1ncccc1[*:1])c1ccoc1
O=C(NCCNc1ncccc1C(F)(F)F)c1ccoc1 c1cc(co1)[*:1] O=C(NCCNc1ncccc1C(F)(F)F)[*:1]
CCC[C@H](C)C[C@]1(O)CSCCC1(C)C CCC[C@H](C)[*:1] CC1(C)CCSC[C@@]1(O)C[*:1]
CCC[C@H](C)C[C@]1(O)CSCCC1(C)C CCC[*:1] C[C@H](C[C@]1(O)CSCCC1(C)C)[*:1]
O=C(NC1CCN(c2ccccc2)CC1)C1CCN(C(=O)C2CC2)CC1 c1ccc(cc1)[*:1] O=C(NC1CCN(CC1)[*:1])C1CCN(CC1)C(=O)C1CC1
O=C(NC1CCN(c2ccccc2)CC1)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(NC1CCN(CC1)c1ccccc1)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)NN=C[*:1])n1cnc2sc3CCCCc3c2c1=O
CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)CC[NH+]5CCOCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C CC(=O)[*:1] C[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1[*:1])OC(=O)CC[NH+]1CCOCC1
CCOc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 CCO[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1[N+](=O)[O-])[*:1]
CCOc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOc1ccc(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])c(c1)[*:1]
CCOc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOc1ccc(NC(=O)/C=C/c2ccc(cc2)[*:1])c(c1)[N+](=O)[O-]
CCC(CC)C(=O)N[C@H]1CC(C)(C)Cc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc21 C[C@@H]1CN(C[C@@H](C)O1)[*:1] CCC(CC)C(=O)N[C@H]1CC(C)(C)Cc2nc(ncc21)[*:1]
CCC(CC)C(=O)N[C@H]1CC(C)(C)Cc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc21 CCC(CC)C(=O)N[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ncc2c(CC(C)(C)C[C@@H]2[*:1])n1
CCC(CC)C(=O)N[C@H]1CC(C)(C)Cc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc21 CCC(CC)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ncc2c(CC(C)(C)C[C@@H]2NC(=O)[*:1])n1
CC1CCC(Oc2cc(CNC(=O)NC3CCC(O)CC3)ccn2)CC1 CC1CCC(CC1)[*:1] O=C(NCc1ccnc(c1)O[*:1])NC1CCC(O)CC1
CC1CCC(Oc2cc(CNC(=O)NC3CCC(O)CC3)ccn2)CC1 OC1CCC(CC1)[*:1] CC1CCC(CC1)Oc1cc(ccn1)CNC(=O)N[*:1]
CC1CCC(Oc2cc(CNC(=O)NC3CCC(O)CC3)ccn2)CC1 CC1CCC(CC1)O[*:1] O=C(NCc1ccnc(c1)[*:1])NC1CCC(O)CC1
CCCC(CO)(CO)CC(C)C CC(C)C[*:1] CCCC(CO)(CO)[*:1]
CCCC(CO)(CO)CC(C)C CCC[*:1] CC(C)CC(CO)(CO)[*:1]
CCCC(CO)(CO)CC(C)C CC(C)[*:1] CCCC(CO)(CO)C[*:1]
CN(CC1CCC1)C(=O)Nc1cc(Cl)ccc1N(C)C C1CC(C1)C[*:1] CN(C)c1ccc(Cl)cc1NC(=O)N(C)[*:1]
CN(CC1CCC1)C(=O)Nc1cc(Cl)ccc1N(C)C CN(C)[*:1] CN(CC1CCC1)C(=O)Nc1cc(Cl)ccc1[*:1]
CN(CC1CCC1)C(=O)Nc1cc(Cl)ccc1N(C)C C1CC(C1)[*:1] CN(C[*:1])C(=O)Nc1cc(Cl)ccc1N(C)C
COC1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] COC1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)O[*:1]
O=C(Nc1nccs1)[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] c1csc(n1)[*:1] O=C(N[*:1])[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-]
O=C(Nc1nccs1)[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1nccs1)[C@@H]1CCCN1Cc1ccccc1[*:1]
COCCn1ccc2ccc(NC(=O)[C@H](C)c3ccc(OC)cc3)cc21 COC[*:1] COc1ccc(cc1)[C@@H](C)C(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)[C@H](C)c3ccc(OC)cc3)cc21 COc1ccc(cc1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)[C@H](C)[*:1]
COCCn1ccc2ccc(NC(=O)[C@H](C)c3ccc(OC)cc3)cc21 COCC[*:1] COc1ccc(cc1)[C@@H](C)C(=O)Nc1ccc2ccn(c2c1)[*:1]
COc1cc(C(=O)NCc2ccc(F)cc2)nc2ccccc12 Fc1ccc(cc1)[*:1] COc1cc(nc2ccccc12)C(=O)NC[*:1]
CC(C)(C)S(=O)(=O)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 N#Cc1ccccc1[*:1] CC(C)(C)S(=O)(=O)CC(=O)NCc1ccc(cc1)[*:1]
CC(C)(C)S(=O)(=O)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 CC(C)(C)S(=O)(=O)[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)C[*:1]
CC(C)(C)S(=O)(=O)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 CC(C)(C)[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)CS(=O)(=O)[*:1]
CC(C)(C)S(=O)(=O)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 CC(C)(C)S(=O)(=O)C[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)[*:1]
CC(C)c1ccc(N2/C(=N/C(=O)CCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 c1ccc(cc1)CC[*:1] CC(C)c1ccc(cc1)N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CC(C)c1ccc(N2/C(=N/C(=O)CCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)N1/C(=N/C(=O)CC[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CC(C)c1ccc(N2/C(=N/C(=O)CCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 CC(C)c1ccc(cc1)[*:1] O=C(CCc1ccccc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CC(C)c1ccc(N2/C(=N/C(=O)CCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 c1ccc(cc1)C[*:1] CC(C)c1ccc(cc1)N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CC(C)c1ccc(N2/C(=N/C(=O)CCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 CC(C)[*:1] O=C(CCc1ccccc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(cc1)[*:1]
Nc1[nH]ncc1[C@@H](O)[C@@H]1CCO[C@]2(CCOC2)C1 Nc1[nH]ncc1[*:1] O[C@@H]([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
CON(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 CON(C)C(=O)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1cccc(c1)[*:1]
CON(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CON(C)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
Cc1c(C(=O)NNC(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NNC(=O)NC[*:1]
Cc1c(C(=O)NNC(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] FC(F)(F)C[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NNC(=O)N[*:1]
Cc1c(C(=O)NNC(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NNC(=O)NCC(F)(F)F
CC[NH+](Cc1cc(Cl)c(OC)c(OC)c1)Cc1ccccn1 c1ccc(nc1)[*:1] CC[NH+](Cc1cc(Cl)c(OC)c(c1)OC)C[*:1]
CC[NH+](Cc1cc(Cl)c(OC)c(OC)c1)Cc1ccccn1 c1ccc(C[*:1])nc1 CC[NH+](Cc1cc(Cl)c(OC)c(c1)OC)[*:1]
Cn1cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c2ccccc21 O=C(N1CCOCC1)[*:1] Cn1cc(C[NH+]2CCC(CC2)[*:1])c2ccccc21
CC(=O)c1ccc(NC(=O)CCn2cnc3sc(C)cc3c2=O)cc1 CC(=O)[*:1] Cc1cc2c(=O)n(cnc2s1)CCC(=O)Nc1ccc(cc1)[*:1]
C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1c(F)cccc1F c1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)[*:1])C(=O)Nc1c(F)cccc1F
C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ccccc1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Sc2ccccc2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1cc(Cl)ccc1Sc1ccccc1
COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Sc2ccccc2)cc1NC(C)=O c1ccc(cc1)[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)Nc1cc(Cl)ccc1S[*:1]
COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Sc2ccccc2)cc1NC(C)=O c1ccc(cc1)S[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)Nc1cc(Cl)ccc1[*:1]
COC(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 Fc1ccccc1[*:1] COC(=O)[C@@H](Sc1nnc(n1C)[*:1])c1ccccc1
COC(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 COC(=O)[*:1] Cn1c(nnc1-c1ccccc1F)S[C@@H](c1ccccc1)[*:1]
COC(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1C)[*:1]
O=C(NCCn1cccc1)NCc1coc(-c2ccccc2)n1 c1ccn(c1)CC[*:1] O=C(NCc1coc(n1)-c1ccccc1)N[*:1]
O=C(NCCn1cccc1)NCc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCCn1cccc1)NCc1coc(n1)[*:1]
O=C(NCCn1cccc1)NCc1coc(-c2ccccc2)n1 c1ccn(c1)C[*:1] O=C(NCc1coc(n1)-c1ccccc1)NC[*:1]
O=C(NCCn1cccc1)NCc1coc(-c2ccccc2)n1 c1ccn(c1)[*:1] O=C(NCC[*:1])NCc1coc(n1)-c1ccccc1
CN(CC(=O)N1CCC[C@@H]1c1ccncc1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(C[*:1])N1CCC[C@@H]1c1ccncc1
CN(CC(=O)N1CCC[C@@H]1c1ccncc1)S(C)(=O)=O c1cc(ccn1)[*:1] CN(CC(=O)N1CCC[C@H]1[*:1])S(C)(=O)=O
Cc1cc(C(=O)N2CCN(Cc3ccsc3)CC2)no1 Cc1cc(no1)[*:1] O=C(N1CCN(CC1)Cc1ccsc1)[*:1]
Cc1cc(C(=O)N2CCN(Cc3ccsc3)CC2)no1 c1cc(cs1)[*:1] Cc1cc(no1)C(=O)N1CCN(CC1)C[*:1]
Cc1cc(C(=O)N2CCN(Cc3ccsc3)CC2)no1 c1cc(cs1)C[*:1] Cc1cc(no1)C(=O)N1CCN(CC1)[*:1]
Cn1ccnc1[C@H](NC(=O)CN1CCSC1=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1ccnc1[C@H](NC(=O)CN1CCSC1=O)[*:1]
Cn1ccnc1[C@H](NC(=O)CN1CCSC1=O)c1cccc(F)c1 O=C1SCCN1[*:1] Cn1ccnc1[C@H](NC(=O)C[*:1])c1cccc(F)c1
Cn1ccnc1[C@H](NC(=O)CN1CCSC1=O)c1cccc(F)c1 Cn1ccnc1[*:1] O=C(CN1CCSC1=O)N[C@H](c1cccc(F)c1)[*:1]
Cn1ccnc1[C@H](NC(=O)CN1CCSC1=O)c1cccc(F)c1 O=C1SCCN1C[*:1] Cn1ccnc1[C@H](NC(=O)[*:1])c1cccc(F)c1
CC[C@H](CO)NC(=O)C[C@@H](C)COC COC[*:1] CC[C@H](CO)NC(=O)C[C@@H](C)[*:1]
CC[C@H](C)CN1CCN(S(=O)(=O)Cc2ccon2)CC1 CC[C@H](C)[*:1] O=S(=O)(Cc1ccon1)N1CCN(CC1)C[*:1]
CC[C@H](C)CN1CCN(S(=O)(=O)Cc2ccon2)CC1 CC[C@H](C)C[*:1] O=S(=O)(Cc1ccon1)N1CCN(CC1)[*:1]
CC[C@H](C)CN1CCN(S(=O)(=O)Cc2ccon2)CC1 c1cc(no1)[*:1] CC[C@H](C)CN1CCN(CC1)S(=O)(=O)C[*:1]
CC[C@H](C)CN1CCN(S(=O)(=O)Cc2ccon2)CC1 c1cc(C[*:1])no1 CC[C@H](C)CN1CCN(CC1)S(=O)(=O)[*:1]
CNC(=O)C[C@H](C)N(C)Cc1cnc(-c2cccc(C)c2)nc1 CNC(=O)[*:1] Cc1cccc(c1)-c1ncc(cn1)CN(C)[C@@H](C)C[*:1]
CNC(=O)C[C@H](C)N(C)Cc1cnc(-c2cccc(C)c2)nc1 Cc1cccc(c1)[*:1] CNC(=O)C[C@H](C)N(C)Cc1cnc(nc1)[*:1]
CNC(=O)C[C@H](C)N(C)Cc1cnc(-c2cccc(C)c2)nc1 CNC(=O)C[*:1] Cc1cccc(c1)-c1ncc(cn1)CN(C)[C@@H](C)[*:1]
Cc1cc(C)cc(N2C[C@H](C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)CC2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
Cc1cc(C)cc(N2C[C@H](C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)CC2=O)c1 c1ccn2c(nnc2c1)[*:1] Cc1cc(C)cc(c1)N1C[C@@H](CC1=O)C(=O)N1CCC[C@@H](C1)[*:1]
C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]([NH2+]Cc1cccc(c1)OCc1ccccn1)[*:1]
C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1 c1ccc(nc1)[*:1] C[C@@H]([NH2+]Cc1cccc(c1)OC[*:1])c1ccc(F)cc1
C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1 c1ccc(C[*:1])nc1 C[C@@H]([NH2+]Cc1cccc(c1)O[*:1])c1ccc(F)cc1
C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1 c1ccc(CO[*:1])nc1 C[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1ccc(F)cc1
CN(C)C(=S)Sc1c([O-])[nH]c2ccccc2c1=O CN(C)C(=S)S[*:1] O=c1c(c([O-])[nH]c2ccccc12)[*:1]
CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 c1csc(c1)[*:1] CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc(n1C[C@H]1CCCO1)[*:1]
CCCn1nccc1/C=C/CC[NH2+]C CCC[*:1] C[NH2+]CC/C=C/c1ccnn1[*:1]
CC(C)CN(CC(C)C)c1nnc(NC(=O)Nc2ccc3c(c2)OCCO3)s1 CC(C)C[*:1] CC(C)CN(c1nnc(NC(=O)Nc2ccc3OCCOc3c2)s1)[*:1]
CC(C)CN(CC(C)C)c1nnc(NC(=O)Nc2ccc3c(c2)OCCO3)s1 CC(C)[*:1] CC(C)CN(C[*:1])c1nnc(NC(=O)Nc2ccc3OCCOc3c2)s1
CC(C)CN(CC(C)C)c1nnc(NC(=O)Nc2ccc3c(c2)OCCO3)s1 CC(C)CN(CC(C)C)[*:1] O=C(Nc1ccc2OCCOc2c1)Nc1nnc(s1)[*:1]
C#CCNC(=O)CN1C(=O)N[C@@](C)(CCC)C1=O CCC[*:1] C#CCNC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
C#CCNC(=O)CN1C(=O)N[C@@](C)(CCC)C1=O C#CC[*:1] CCC[C@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
C#CCNC(=O)CN1C(=O)N[C@@](C)(CCC)C1=O C#CCNC(=O)[*:1] CCC[C@]1(C)NC(=O)N(C[*:1])C1=O
CCCC[n+]1c(N)n(C[C@H](O)c2ccc(OC)cc2)c2ccccc21 COc1ccc(cc1)[*:1] CCCC[n+]1c(N)n(C[C@H](O)[*:1])c2ccccc21
CCCC[n+]1c(N)n(C[C@H](O)c2ccc(OC)cc2)c2ccccc21 CCC[*:1] COc1ccc(cc1)[C@@H](O)Cn1c(N)[n+](C[*:1])c2ccccc21
CCCC[n+]1c(N)n(C[C@H](O)c2ccc(OC)cc2)c2ccccc21 CCCC[*:1] COc1ccc(cc1)[C@@H](O)Cn1c(N)[n+](c2ccccc21)[*:1]
CCCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 CCC[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)N[*:1]
CCCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CCCNC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 CCCNC(=O)[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
CCCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 CC(C)(C)C(=O)N[*:1] CCCNC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
C[NH+](C)C(C)(C)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] C[NH+](C)C(C)(C)CNC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCCN(C1)C(=O)O[*:1]
CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 C1CC1[*:1] CC(C)[C@H]([NH3+])C(=O)N([C@H]1CCCN(C1)C(=O)OC(C)(C)C)[*:1]
CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)N(C(=O)[C@@H]([NH3+])[*:1])C1CC1
C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1cccc(OC2CCCC2)c1 C1CCC(C1)O[*:1] C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1cccc(c1)[*:1]
C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1cccc(OC2CCCC2)c1 C1CCC(C1)[*:1] C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1cccc(c1)O[*:1]
O=C(Nc1nnc(-c2cccc(F)c2)o1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 Fc1cccc(c1)[*:1] O=C(Nc1nnc(o1)[*:1])[C@@H]1CCCCN1S(=O)(=O)c1cccs1
O=C(Nc1nnc(-c2cccc(F)c2)o1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1nnc(o1)-c1cccc(F)c1)[C@@H]1CCCCN1S(=O)(=O)[*:1]
COc1cc(NC(=O)[C@@H]2CCCN(C(=O)C3=CC4=CC=N[C@H]4C=C3)C2)cc(OC)c1 COc1cc(cc(c1)[*:1])OC O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)C1C=C[C@@H]2N=CC=C2C=1
O=C(O[C@H](c1ccccc1)c1nccs1)c1cccc2c1OCO2 c1ccc(cc1)[*:1] O=C(O[C@H](c1nccs1)[*:1])c1cccc2OCOc21
O=C(O[C@H](c1ccccc1)c1nccs1)c1cccc2c1OCO2 c1csc(n1)[*:1] O=C(O[C@H](c1ccccc1)[*:1])c1cccc2OCOc21
COCc1cccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)c1 COC[*:1] O=C(Cn1ccc(=O)[nH]c1=O)NCc1cccc(c1)[*:1]
O=C(/C=C/C1CC1)OCc1coc(-c2ccccc2)n1 C1CC1[*:1] O=C(C=C[*:1])OCc1coc(n1)-c1ccccc1
O=C(/C=C/C1CC1)OCc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(/C=C/C1CC1)OCc1coc(n1)[*:1]
O=C(/C=C/C1CC1)OCc1coc(-c2ccccc2)n1 C(=C[*:1])C1CC1 O=C(OCc1coc(n1)-c1ccccc1)[*:1]
CCCC(C#N)(CCC)NS(=O)(=O)c1ccc(F)cc1C CCC[*:1] CCCC(C#N)(NS(=O)(=O)c1ccc(F)cc1C)[*:1]
CCc1cccc(C)c1NC(=O)COC(=O)c1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] CCc1cccc(C)c1NC(=O)COC(=O)[*:1]
CCNC(=O)NNC(=O)CSc1nccn1-c1ccc(C(C)C)cc1 CC(C)[*:1] CCNC(=O)NNC(=O)CSc1nccn1-c1ccc(cc1)[*:1]
Cc1ncc([C@@H](C)[NH2+]CCC2CC2)c(C)n1 C1CC1C[*:1] Cc1ncc(c(C)n1)[C@@H](C)[NH2+]C[*:1]
Cc1ncc([C@@H](C)[NH2+]CCC2CC2)c(C)n1 C1CC1CC[*:1] Cc1ncc(c(C)n1)[C@@H](C)[NH2+][*:1]
Cc1ncc([C@@H](C)[NH2+]CCC2CC2)c(C)n1 C1CC1[*:1] Cc1ncc(c(C)n1)[C@@H](C)[NH2+]CC[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1 COc1ccc(c(C)c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccnc1
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1 COC[*:1] COc1ccc(C(=O)C2=C([O-])C(=O)N(C[*:1])[C@@H]2c2cccnc2)c(C)c1
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1 c1cncc(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2ccc(cc2C)OC)[C@@H]1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1 COCC[*:1] COc1ccc(C(=O)C2=C([O-])C(=O)N([C@@H]2c2cccnc2)[*:1])c(C)c1
CCN1C(=O)S[C@H]([C@H](O)c2ccc(Cl)c([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] CCN1C(=O)S[C@@H](C1=O)[C@H](O)c1ccc(Cl)c(c1)[*:1]
COc1ccccc1COC1CCN(C(=O)Cc2cc(C)ccc2C)CC1 COc1ccccc1C[*:1] Cc1ccc(C)c(c1)CC(=O)N1CCC(CC1)O[*:1]
COc1ccccc1COC1CCN(C(=O)Cc2cc(C)ccc2C)CC1 COc1ccccc1[*:1] Cc1ccc(C)c(c1)CC(=O)N1CCC(CC1)OC[*:1]
COc1ccccc1COC1CCN(C(=O)Cc2cc(C)ccc2C)CC1 Cc1ccc(C)c(c1)C[*:1] COc1ccccc1COC1CCN(CC1)C(=O)[*:1]
COc1ccccc1COC1CCN(C(=O)Cc2cc(C)ccc2C)CC1 Cc1ccc(C)c(c1)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)C[*:1]
COc1ccc(CNC(=O)CSCc2nsnc2C)cc1 Cc1nsnc1C[*:1] COc1ccc(cc1)CNC(=O)CS[*:1]
COc1ccc(CNC(=O)CSCc2nsnc2C)cc1 Cc1nsnc1[*:1] COc1ccc(cc1)CNC(=O)CSC[*:1]
O=C(/C=C/c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(/C=C/c1cc(F)c(F)c(F)c1)c1ccc(cc1)[*:1]
COc1cccc(COc2cc(C(C)C)nc(C(C)C)n2)c1 CC(C)[*:1] COc1cccc(c1)COc1cc(nc(n1)C(C)C)[*:1]
COc1cccc(COc2cc(C(C)C)nc(C(C)C)n2)c1 CC(C)[*:1] COc1cccc(c1)COc1cc(nc(n1)[*:1])C(C)C
Cc1cc(C)c(NC(=O)[C@H](C)S[C@H](C)[C@@H](C)O)c(Cl)c1 C[C@@H](O)[*:1] Cc1cc(C)c(NC(=O)[C@H](C)S[C@H](C)[*:1])c(Cl)c1
CC[C@H](C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 CC[C@H](C)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[*:1]
CC[C@H](C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] CC[C@H](C)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
COc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1[NH2+][C@@H](CS1)C(=O)[O-]
COc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1[NH2+][C@@H](CS1)C(=O)[O-]
Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCN(C)CC2)cn1 CN1CCN(CC1)C(=O)[*:1] Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1ccc(cn1)[*:1]
CC[C@H](Nc1nccc(Oc2ccc(F)cc2)n1)c1ccncc1 Fc1ccc(cc1)O[*:1] CC[C@H](Nc1nccc(n1)[*:1])c1ccncc1
CC[C@H](Nc1nccc(Oc2ccc(F)cc2)n1)c1ccncc1 Fc1ccc(cc1)[*:1] CC[C@H](Nc1nccc(n1)O[*:1])c1ccncc1
CC[C@H](Nc1nccc(Oc2ccc(F)cc2)n1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](Nc1nccc(n1)Oc1ccc(F)cc1)[*:1]
C[C@H](Sc1ccc2nnnn2n1)c1cccs1 c1csc(c1)[*:1] C[C@H](Sc1ccc2nnnn2n1)[*:1]
O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCC[NH+]1CCCC1 C1CN(CCO1)[*:1] O=c1c2cc(ccc2[nH]c(=S)n1CCC[NH+]1CCCC1)[*:1]
O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(Br)cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NCCC(=O)N1CCN(CC1)C[*:1])c1ccc(Br)cc1
O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCNC(=O)[*:1])N1CCN(CC1)Cc1cccc(c1)[N+](=O)[O-]
O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(Br)cc1 O=[N+]([O-])c1cccc(c1)C[*:1] O=C(NCCC(=O)N1CCN(CC1)[*:1])c1ccc(Br)cc1
O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(Br)cc1 O=C(N[*:1])c1ccc(Br)cc1 O=C(CC[*:1])N1CCN(CC1)Cc1cccc(c1)[N+](=O)[O-]
O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(Br)cc1 O=[N+]([O-])[*:1] O=C(NCCC(=O)N1CCN(CC1)Cc1cccc(c1)[*:1])c1ccc(Br)cc1
O=C(c1ccc2ccnc(N3CCN(c4ccccc4F)CC3)c2c1)N1CCCCCC1 Fc1ccccc1[*:1] O=C(c1ccc2ccnc(c2c1)N1CCN(CC1)[*:1])N1CCCCCC1
O=C(c1ccc2ccnc(N3CCN(c4ccccc4F)CC3)c2c1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] Fc1ccccc1N1CCN(CC1)c1nccc2ccc(cc12)[*:1]
[NH3+]Cc1ccc(NC(=O)OCCOc2ccccc2)cc1 c1ccc(cc1)O[*:1] [NH3+]Cc1ccc(cc1)NC(=O)OCC[*:1]
[NH3+]Cc1ccc(NC(=O)OCCOc2ccccc2)cc1 c1ccc(cc1)[*:1] [NH3+]Cc1ccc(cc1)NC(=O)OCCO[*:1]
C[C@@H](NC(=O)NC[C@H](O)C1CCOCC1)c1ccccc1C(F)(F)F O[C@H](C1CCOCC1)[*:1] C[C@@H](NC(=O)NC[*:1])c1ccccc1C(F)(F)F
C[C@@H](NC(=O)NC[C@H](O)C1CCOCC1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](NC(=O)NC[C@H](O)C1CCOCC1)c1ccccc1[*:1]
C[C@@H](NC(=O)NC[C@H](O)C1CCOCC1)c1ccccc1C(F)(F)F C1CC(CCO1)[*:1] C[C@@H](NC(=O)NC[C@H](O)[*:1])c1ccccc1C(F)(F)F
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(O)cc2)n2nc(SCc3ccccc3)nc2N1 c1ccc(cc1)[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccnc1)c1ccc(O)cc1)SC[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(O)cc2)n2nc(SCc3ccccc3)nc2N1 c1ccc(cc1)C[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccnc1)c1ccc(O)cc1)S[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(O)cc2)n2nc(SCc3ccccc3)nc2N1 O=C(Nc1cccnc1)[*:1] CC1Nc2nc(nn2[C@H](C=1[*:1])c1ccc(O)cc1)SCc1ccccc1
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(O)cc2)n2nc(SCc3ccccc3)nc2N1 c1ccc(cc1)CS[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccnc1)c1ccc(O)cc1)[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(O)cc2)n2nc(SCc3ccccc3)nc2N1 c1cncc(c1)[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)N[*:1])c1ccc(O)cc1)SCc1ccccc1
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(O)cc2)n2nc(SCc3ccccc3)nc2N1 Oc1ccc(cc1)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)Nc1cccnc1)[*:1])SCc1ccccc1
Cc1ccc(-n2nc(C)cc2NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)nn1 Clc1ccccc1[*:1] Cc1ccc(nn1)-n1nc(C)cc1NC(=O)[C@@H]1C[C@@H]1[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)nn1 Cc1ccc(nn1)[*:1] Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)n(n1)[*:1]
COCc1nc(C)cc(Oc2ccc(OCc3nc(C)no3)cc2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])Oc1ccc(cc1)OCc1nc(C)no1
COCc1nc(C)cc(Oc2ccc(OCc3nc(C)no3)cc2)n1 Cc1noc(CO[*:1])n1 COCc1nc(C)cc(n1)Oc1ccc(cc1)[*:1]
COCc1nc(C)cc(Oc2ccc(OCc3nc(C)no3)cc2)n1 Cc1noc(C[*:1])n1 COCc1nc(C)cc(n1)Oc1ccc(cc1)O[*:1]
COCc1nc(C)cc(Oc2ccc(OCc3nc(C)no3)cc2)n1 Cc1noc(n1)[*:1] COCc1nc(C)cc(n1)Oc1ccc(cc1)OC[*:1]
C[C@H](O)[C@@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)[O-] C[C@H](O)[*:1] CS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](C(=O)[O-])[*:1]
C[C@H](O)[C@@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)[O-] O=C([O-])[*:1] C[C@H](O)[C@@H](NC(=O)c1ccc(Cl)c(c1)S(C)(=O)=O)[*:1]
C[C@H](O)[C@@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)[O-] CS(=O)(=O)[*:1] C[C@H](O)[C@@H](NC(=O)c1ccc(Cl)c(c1)[*:1])C(=O)[O-]
COc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1N1CCCCC1=O c1ccc(cc1)[*:1] COc1ccc(cc1N1CCCCC1=O)NC(=O)c1ccc(nc1C)[*:1]
COc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1N1CCCCC1=O O=C1CCCCN1[*:1] COc1ccc(cc1[*:1])NC(=O)c1ccc(nc1C)-c1ccccc1
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)CO[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)COc1ccccc1[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)COc1ccccc1[N+](=O)[O-]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1O[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)C[*:1]
COCCC[C@@H]1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)o2)C1 COCC[*:1] C[NH+]1CCN(CC1)Cc1ccc(o1)C(=O)N1CCC[C@H](C1)C[*:1]
COCCC[C@@H]1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)o2)C1 COC[*:1] C[NH+]1CCN(CC1)Cc1ccc(o1)C(=O)N1CCC[C@@H](CC[*:1])C1
COCCC[C@@H]1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)o2)C1 COCCC[*:1] C[NH+]1CCN(CC1)Cc1ccc(o1)C(=O)N1CCC[C@H](C1)[*:1]
CCOc1ncccc1NC(=O)N1CCC[C@H]1C(C)C CCO[*:1] CC(C)[C@@H]1CCCN1C(=O)Nc1cccnc1[*:1]
CCOc1ncccc1NC(=O)N1CCC[C@H]1C(C)C CC(C)[*:1] CCOc1ncccc1NC(=O)N1CCC[C@@H]1[*:1]
COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)Nc1c2CSCc2nn1[*:1]
COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)c1 COc1cccc(c1)[*:1] O=C(Nc1c2CSCc2nn1-c1ccc(F)cc1)[*:1]
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)Nc1ccn(C)n1 Fc1ccc(cc1)[*:1] Cc1nnnn1C(=C[*:1])C(=O)Nc1ccn(C)n1
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)Nc1ccn(C)n1 Cc1nnnn1[*:1] Cn1ccc(n1)NC(=O)C(=Cc1ccc(F)cc1)[*:1]
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)Nc1ccn(C)n1 Cn1ccc(n1)[*:1] Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 O=[N+]([O-])[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1Nc1ccc(nc1)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 CC[S@](=O)[*:1] O=[N+]([O-])c1ccc(cn1)N[C@H]1CCCC[C@H]1[*:1]
O=C(Nc1ccccc1O)C1CC[NH+](CC2CCCCC2)CC1 Oc1ccccc1[*:1] O=C(N[*:1])C1CC[NH+](CC1)CC1CCCCC1
O=C(Nc1ccccc1O)C1CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(Nc1ccccc1O)C1CC[NH+](CC1)C[*:1]
O=C(Nc1ccccc1O)C1CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] O=C(Nc1ccccc1O)C1CC[NH+](CC1)[*:1]
Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(Cl)ccc1OC(F)F FC(F)O[*:1] Cc1nc2[C@@H](CCCn2n1)N[C@@H](C)c1cc(Cl)ccc1[*:1]
Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(Cl)ccc1OC(F)F FC(F)[*:1] Cc1nc2[C@@H](CCCn2n1)N[C@@H](C)c1cc(Cl)ccc1O[*:1]
CCC[NH2+]CC(=O)N1[C@H]2CCCC[C@H]2CC[C@@H]1C(=O)[O-] CCC[*:1] O=C([O-])[C@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)C[NH2+][*:1]
CCC[NH2+]CC(=O)N1[C@H]2CCCC[C@H]2CC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CCC[NH2+]CC(=O)N1[C@H]2CCCC[C@H]2CC[C@H]1[*:1]
Cc1cc(C)cc(C[S@](=O)CC(=O)N2CCCc3ccccc32)c1 Cc1cc(C)cc(c1)[*:1] O=C(C[S@@](=O)C[*:1])N1CCCc2ccccc21
NC(=O)[C@@H]1CCCN1C(=O)COc1ccc(Cl)cc1 NC(=O)[*:1] O=C(COc1ccc(Cl)cc1)N1CCC[C@H]1[*:1]
CCC[C@@H](C#N)NC(=O)CCn1cc[nH+]c1C(C)C CC(C)[*:1] CCC[C@@H](C#N)NC(=O)CCn1cc[nH+]c1[*:1]
CCC[C@@H](C#N)NC(=O)CCn1cc[nH+]c1C(C)C CCC[*:1] CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C#N)[*:1]
CCC[C@@H](C#N)NC(=O)CCn1cc[nH+]c1C(C)C CCC[C@@H](C#N)[*:1] CC(C)c1[nH+]ccn1CCC(=O)N[*:1]
COc1cccc(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] COc1cccc(c1)S[C@H](C)C(=O)NC(=O)N[*:1]
CC(C)NC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 CC(C)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)Cc1ccc(Cl)cc1
CC(C)NC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC(C)NC(=O)C(=O)N1CCN(CC1)C[*:1]
CC(=O)[C@H](C)CSc1nnnn1C1CC1 CC(=O)[C@H](C)[*:1] C1CC1n1nnnc1SC[*:1]
CC(=O)[C@H](C)CSc1nnnn1C1CC1 CC(=O)[*:1] C[C@H](CSc1nnnn1C1CC1)[*:1]
CC(=O)[C@H](C)CSc1nnnn1C1CC1 C1CC1[*:1] CC(=O)[C@H](C)CSc1nnnn1[*:1]
c1csc(-c2noc(CSc3nnc(NC4CC4)s3)n2)c1 c1csc(c1)[*:1] C(Sc1nnc(NC2CC2)s1)c1nc(no1)[*:1]
c1csc(-c2noc(CSc3nnc(NC4CC4)s3)n2)c1 C1CC1[*:1] c1csc(c1)-c1noc(CSc2nnc(N[*:1])s2)n1
c1csc(-c2noc(CSc3nnc(NC4CC4)s3)n2)c1 C1CC1N[*:1] c1csc(c1)-c1noc(CSc2nnc(s2)[*:1])n1
CCC(=O)N1CCCC[C@@H]1C(=O)NCCC1CC1 C1CC1CC[*:1] CCC(=O)N1CCCC[C@@H]1C(=O)N[*:1]
CCC(=O)N1CCCC[C@@H]1C(=O)NCCC1CC1 C1CC1C[*:1] CCC(=O)N1CCCC[C@@H]1C(=O)NC[*:1]
CCC(=O)N1CCCC[C@@H]1C(=O)NCCC1CC1 C1CC1[*:1] CCC(=O)N1CCCC[C@@H]1C(=O)NCC[*:1]
CC#CCN(CC(=O)OCC)C1CCCC1 CCOC(=O)[*:1] CC#CCN(C[*:1])C1CCCC1
CC#CCN(CC(=O)OCC)C1CCCC1 CC#C[*:1] CCOC(=O)CN(C[*:1])C1CCCC1
CC#CCN(CC(=O)OCC)C1CCCC1 CC#CC[*:1] CCOC(=O)CN(C1CCCC1)[*:1]
CC#CCN(CC(=O)OCC)C1CCCC1 C1CCC(C1)[*:1] CC#CCN(CC(=O)OCC)[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 Cc1ccccc1[*:1] N#C[C@H](NC(=O)CCc1ncc(o1)-c1ccc(Cl)cc1)[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] Cc1ccccc1[C@H](C#N)NC(=O)CCc1ncc(o1)[*:1]
O=C(NCCc1csc2nc(-c3ccccc3F)nn12)C(=O)Nc1ccccc1[N+](=O)[O-] Fc1ccccc1[*:1] O=C(NCCc1csc2nc(nn12)[*:1])C(=O)Nc1ccccc1[N+](=O)[O-]
O=C(NCCc1csc2nc(-c3ccccc3F)nn12)C(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCCc1csc2nc(nn12)-c1ccccc1F)C(=O)Nc1ccccc1[*:1]
O=C(NCCc1csc2nc(-c3ccccc3F)nn12)C(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] O=C(NCCc1csc2nc(nn12)-c1ccccc1F)C(=O)N[*:1]
O=C(Nc1ccc(COc2ccccc2)cc1)C(=O)N[C@H]1CCC[C@H]1CO c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)C[*:1])C(=O)N[C@H]1CCC[C@H]1CO
O=C(Nc1ccc(COc2ccccc2)cc1)C(=O)N[C@H]1CCC[C@H]1CO c1ccc(cc1)OC[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N[C@H]1CCC[C@H]1CO
O=C(Nc1ccc(COc2ccccc2)cc1)C(=O)N[C@H]1CCC[C@H]1CO c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)CO[*:1])C(=O)N[C@H]1CCC[C@H]1CO
Cc1cnn(-c2ccc(C(=O)N[C@@H](CC(N)=O)C3CCCCC3)cc2)c1 Cc1cnn(c1)[*:1] NC(=O)C[C@H](NC(=O)c1ccc(cc1)[*:1])C1CCCCC1
Cc1cnn(-c2ccc(C(=O)N[C@@H](CC(N)=O)C3CCCCC3)cc2)c1 NC(=O)C[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)N[C@@H](C1CCCCC1)[*:1]
Cc1cnn(-c2ccc(C(=O)N[C@@H](CC(N)=O)C3CCCCC3)cc2)c1 NC(=O)[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)N[C@@H](C[*:1])C1CCCCC1
Cc1cnn(-c2ccc(C(=O)N[C@@H](CC(N)=O)C3CCCCC3)cc2)c1 C1CCC(CC1)[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)N[C@@H](CC(N)=O)[*:1]
O=C(Nc1ccccc1N1CCOCC1)c1c[nH]c2ccccc2c1=O C1CN(CCO1)[*:1] O=C(Nc1ccccc1[*:1])c1c[nH]c2ccccc2c1=O
C[C@H](CO)[C@H](C)NC(=O)N[C@H](C)c1ccc(Cl)s1 C[C@H](CO)[C@H](C)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(Cl)s1
C[C@H](CO)[C@H](C)NC(=O)N[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](CO)[C@H](C)NC(=O)N[C@H](C)[*:1]
C[C@H](CO)[C@H](C)NC(=O)N[C@H](C)c1ccc(Cl)s1 C[C@H](CO)[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)[*:1]
Cc1c(C)n(-c2cccnc2)c2ncn3nc(-c4ccccc4Br)nc3c12 c1cncc(c1)[*:1] Cc1c(C)n(c2ncn3nc(nc3c12)-c1ccccc1Br)[*:1]
Cc1c(C)n(-c2cccnc2)c2ncn3nc(-c4ccccc4Br)nc3c12 Brc1ccccc1[*:1] Cc1c(C)n(-c2cccnc2)c2ncn3nc(nc3c12)[*:1]
CCN(Cc1ccc(Cl)c(C(F)(F)F)c1)C[C@@H](C)C#N C[C@@H](C#N)C[*:1] CCN(Cc1ccc(Cl)c(c1)C(F)(F)F)[*:1]
CCN(Cc1ccc(Cl)c(C(F)(F)F)c1)C[C@@H](C)C#N FC(F)(F)[*:1] CCN(Cc1ccc(Cl)c(c1)[*:1])C[C@@H](C)C#N
Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccc([N+](=O)[O-])c1 Cc1ccccc1[*:1] CN(Cc1cccc(c1)[N+](=O)[O-])[C@H](c1ccccc1)c1nnnn1[*:1]
Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cc1ccccc1-n1nnnc1[C@@H](N(C)Cc1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccc(c1)[*:1]
Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)C[*:1] Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)[*:1]
Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)C[*:1]
Cn1cc(S(=O)(=O)NCCN2CC[NH+](CC3CCCCC3)CC2)cn1 C1CCC(CC1)C[*:1] Cn1cc(cn1)S(=O)(=O)NCCN1CC[NH+](CC1)[*:1]
Cn1cc(S(=O)(=O)NCCN2CC[NH+](CC3CCCCC3)CC2)cn1 C1CCC(CC1)[*:1] Cn1cc(cn1)S(=O)(=O)NCCN1CC[NH+](CC1)C[*:1]
Cn1cc(S(=O)(=O)NCCN2CC[NH+](CC3CCCCC3)CC2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(NCCN1CC[NH+](CC1)CC1CCCCC1)[*:1]
COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)C2 COc1ccccc1[*:1] O=C1C[C@H](C2C(=O)C[C@H](CC=2N1)c1ccc(Cl)c(Cl)c1)[*:1]
COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)C2 Clc1ccc(cc1Cl)[*:1] COc1ccccc1[C@@H]1CC(=O)NC2C[C@H](CC(=O)C=21)[*:1]
CCCCN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O CCCC[*:1] CC(C)C[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
CCCCN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O CC(C)C[*:1] CCCCN1C(=O)[C@@H]2[C@H](N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O)[*:1]
CCCCN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O CC(C)[*:1] CCCCN1C(=O)[C@@H]2[C@H](C[*:1])N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O
CCCCN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O CCC[*:1] CC(C)C[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
O=C(NCC1CCC(C(=O)N2CCOCC2)CC1)c1ccnc2[nH]ccc12 c1cc(c2cc[nH]c2n1)[*:1] O=C(C1CCC(CC1)CNC(=O)[*:1])N1CCOCC1
O=C(NCC1CCC(C(=O)N2CCOCC2)CC1)c1ccnc2[nH]ccc12 O=C(N1CCOCC1)[*:1] O=C(NCC1CCC(CC1)[*:1])c1ccnc2[nH]ccc12
CC(C)(C)c1cc(C(=O)NNC(=O)COc2ccccc2)ccn1 c1ccc(cc1)[*:1] CC(C)(C)c1cc(ccn1)C(=O)NNC(=O)CO[*:1]
CC(C)(C)c1cc(C(=O)NNC(=O)COc2ccccc2)ccn1 CC(C)(C)[*:1] O=C(COc1ccccc1)NNC(=O)c1ccnc(c1)[*:1]
CC(C)(C)c1cc(C(=O)NNC(=O)COc2ccccc2)ccn1 c1ccc(cc1)O[*:1] CC(C)(C)c1cc(ccn1)C(=O)NNC(=O)C[*:1]
CC(C)(C)c1cc(C(=O)NNC(=O)COc2ccccc2)ccn1 c1ccc(cc1)OC[*:1] CC(C)(C)c1cc(ccn1)C(=O)NNC(=O)[*:1]
Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(CC1)[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 Clc1ccc(Cl)c(c1)O[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)C[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 Clc1ccc(Cl)c(c1)[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)CO[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 O=C(Nc1ccccc1)[*:1] O=C(COc1cc(Cl)ccc1Cl)N1CCC(CC1)[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)COc1cc(Cl)ccc1Cl
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 CC(=O)N[*:1] O=C(NNC(=O)c1ccc(cc1)[*:1])c1ccc(cc1)-c1ccccc1
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)[*:1]
COc1cccc([C@H](CNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)N1C[C@H]2CC=CC[C@@H]2C1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c1C c1ccn2cc(nc2c1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)Nc2cnn(c2)C[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)Nc2cnn(c2)Cc2cn3ccccc3n2)c(C)c1[*:1]
CN(CC(C)(C)S(C)(=O)=O)[C@H](C(N)=O)c1cccc(F)c1 CC(C)(S(C)(=O)=O)[*:1] CN(C[*:1])[C@H](C(N)=O)c1cccc(F)c1
CN(CC(C)(C)S(C)(=O)=O)[C@H](C(N)=O)c1cccc(F)c1 CS(=O)(=O)[*:1] CN(CC(C)(C)[*:1])[C@H](C(N)=O)c1cccc(F)c1
CN(CC(C)(C)S(C)(=O)=O)[C@H](C(N)=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(CC(C)(C)S(C)(=O)=O)[C@H](C(N)=O)[*:1]
CN(CC(C)(C)S(C)(=O)=O)[C@H](C(N)=O)c1cccc(F)c1 NC(=O)[*:1] CN(CC(C)(C)S(C)(=O)=O)[C@H](c1cccc(F)c1)[*:1]
Nc1cc(C(=O)OCCF)ccc1Cl FCC[*:1] Nc1cc(ccc1Cl)C(=O)O[*:1]
CCC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](C)[C@]2(O)C(=O)CO)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F CCC(=O)O[*:1] C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](C[C@]2(C)[C@@]1(O)C(=O)CO)[*:1]
CCC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](C)[C@]2(O)C(=O)CO)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F O=C(CO)[*:1] CCC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](C)[C@@]2(O)[*:1])[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F
Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc(F)cc3)nc2n1 Fc1ccc(cc1)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)NN=C[*:1]
CN(C)C(=O)CN(C)C(=O)c1cc2ccccc2[nH]1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)c1cc2ccccc2[nH]1
CN(C)C(=O)CN(C)C(=O)c1cc2ccccc2[nH]1 CN(C)C(=O)C[*:1] CN(C(=O)c1cc2ccccc2[nH]1)[*:1]
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c3n2)cc1 COc1ccc(cc1)[*:1] O=C(c1cnn2c(cc(nc12)[*:1])C(F)F)N1CCN(CC1)c1cccc(Cl)c1
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c3n2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)-c1cc(C(F)F)n2ncc(C(=O)N3CCN(CC3)[*:1])c2n1
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c3n2)cc1 FC(F)[*:1] COc1ccc(cc1)-c1cc(n2ncc(C(=O)N3CCN(CC3)c3cccc(Cl)c3)c2n1)[*:1]
CC[C@H](CC[NH3+])N1CCN(C(=O)C[C@@H]2CCCCO2)CC1 C1CC[C@H](OC1)[*:1] CC[C@H](CC[NH3+])N1CCN(CC1)C(=O)C[*:1]
CC[C@H](CC[NH3+])N1CCN(C(=O)C[C@@H]2CCCCO2)CC1 C1CC[C@@H](C[*:1])OC1 CC[C@H](CC[NH3+])N1CCN(CC1)C(=O)[*:1]
C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccsc1 c1csc(c1)[*:1] C[C@H](C(=O)N(CC[NH+](C)C)C[*:1])c1ccsc1
C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccsc1 c1csc(c1)C[*:1] C[C@H](C(=O)N(CC[NH+](C)C)[*:1])c1ccsc1
C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)[*:1]
C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccsc1 C[C@H](c1ccsc1)[*:1] C[NH+](C)CCN(Cc1cccs1)C(=O)[*:1]
O=C(c1ccc(CN2C(=O)CCn3nc(-c4ccc(Cl)cc4)cc32)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C1CCn2nc(cc2N1Cc1ccc(cc1)[*:1])-c1ccc(Cl)cc1
O=C(c1ccc(CN2C(=O)CCn3nc(-c4ccc(Cl)cc4)cc32)cc1)N1CCCCC1 Clc1ccc(cc1)[*:1] O=C(c1ccc(cc1)CN1C(=O)CCn2nc(cc21)[*:1])N1CCCCC1
CC[C@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@H]([NH2+][C@@H]1CCc2ccccc2C1)[*:1]
Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 c1coc(c1)C[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c3ccc(Cl)cc3Cl)c2c(=O)n1[*:1]
Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 Clc1ccc(c(Cl)c1)[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c2c(=O)n1Cc1ccco1)[*:1]
Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 c1coc(c1)[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c3ccc(Cl)cc3Cl)c2c(=O)n1C[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1 CC1CCC(CC1)[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1 CCC(=O)N[*:1] CC1CCC(CC1)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)cn12 Clc1cccc(c1)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N[C@@H]1C[C@@H]1[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCCC(=O)N(C)C CC(C)CC[*:1] CN(C)C(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCCC(=O)N(C)C CC(C)[*:1] CN(C)C(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1CC[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCCC(=O)N(C)C CC(C)C[*:1] CN(C)C(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1C[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCCC(=O)N(C)C CN(C)C(=O)CC[*:1] CC(C)CC[C@H]1CCC[C@H]1NC(=O)N[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCCC(=O)N(C)C CN(C)C(=O)[*:1] CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCC[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCCC(=O)N(C)C CN(C)C(=O)C[*:1] CC(C)CC[C@H]1CCC[C@H]1NC(=O)NC[*:1]
C[C@@H](NCc1nncn1C1CC1)c1occc1Br Brc1ccoc1[*:1] C[C@@H](NCc1nncn1C1CC1)[*:1]
C[C@@H](NCc1nncn1C1CC1)c1occc1Br C1CC1[*:1] C[C@@H](NCc1nncn1[*:1])c1occc1Br
CN(C)[C@H](C[NH2+]Cc1cccn1C)c1ccco1 CN(C)[*:1] Cn1cccc1C[NH2+]C[C@H](c1ccco1)[*:1]
CN(C)[C@H](C[NH2+]Cc1cccn1C)c1ccco1 c1coc(c1)[*:1] CN(C)[C@H](C[NH2+]Cc1cccn1C)[*:1]
CN(C)[C@H](C[NH2+]Cc1cccn1C)c1ccco1 Cn1cccc1[*:1] CN(C)[C@H](C[NH2+]C[*:1])c1ccco1
C[C@@H]1CCC[C@H](NC(=O)CNC(=O)c2ccco2)[C@@H]1C c1coc(c1)[*:1] C[C@@H]1CCC[C@H](NC(=O)CNC(=O)[*:1])[C@@H]1C
CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 Ic1ccc(cc1)[*:1] CCOC(=O)C1=NN(N=O)[C@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
Cn1nccc1CSCc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1nccc1CSCc1coc(n1)[*:1]
Cn1nccc1CSCc1coc(-c2ccccc2)n1 Cn1nccc1[*:1] c1ccc(cc1)-c1nc(co1)CSC[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)CSc2ccc(C)cn2)C1 Cc1ccc(nc1)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)CS[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)CSc2ccc(C)cn2)C1 CC(=O)N[*:1] Cc1ccc(nc1)SCC(=O)N1CCC[C@H](C1)[*:1]
CCC[C@@H]1NC(=O)CN([C@@H]2CCCCC2(C)C)C1=O CCC[*:1] CC1(C)CCCC[C@H]1N1CC(=O)N[C@H](C1=O)[*:1]
O=C1CC2(CCN(C(=O)CNC3=CC(=O)N(c4ccccc4)C3=O)CC2)Oc2ccccc21 c1ccc(cc1)[*:1] O=C1CC2(CCN(CC2)C(=O)CNC2=CC(=O)N(C2=O)[*:1])Oc2ccccc21
Cc1cccc(CC(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)c1 Cc1cccc(c1)[*:1] Cc1c(CCNC(=O)C[*:1])sc2nc(nn12)-c1ccc(F)cc1
Cc1cccc(CC(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)CC(=O)NCCc1sc2nc(nn2c1C)[*:1]
Cc1cccc(CC(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)c1 Cc1cccc(c1)C[*:1] Cc1c(CCNC(=O)[*:1])sc2nc(nn12)-c1ccc(F)cc1
CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(C)(C)C2)ccc1Cl CN(C)S(=O)(=O)[*:1] CC1(C)CCN(C1)C(=O)c1ccc(Cl)c(c1)[*:1]
CC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)NCc1cccnc1 c1cncc(c1)C[*:1] CC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)N[*:1]
CC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)NCc1cccnc1 c1cncc(c1)[*:1] CC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)NC[*:1]
CC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)NCc1cccnc1 Cc1ccc(cc1C)[*:1] CC[C@@H](CS(=O)(=O)[*:1])NC(=O)NCc1cccnc1
CCCCc1nnc(S[C@@H](C)c2cccc(OC)c2)n1N CCCC[*:1] COc1cccc(c1)[C@H](C)Sc1nnc(n1N)[*:1]
CCCCc1nnc(S[C@@H](C)c2cccc(OC)c2)n1N CCC[*:1] COc1cccc(c1)[C@H](C)Sc1nnc(C[*:1])n1N
CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C)n[nH]1 Cc1cc([nH]n1)[*:1] CCC[C@@H]1[C@H](C)CCCN1C(=O)[*:1]
CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C)n[nH]1 CCC[*:1] Cc1cc([nH]n1)C(=O)N1CCC[C@@H](C)[C@H]1[*:1]
CC[NH2+]Cc1ccc(O[C@H](C)[C@@H](C)O)c(C(F)(F)F)c1 C[C@@H](O)[C@@H](C)O[*:1] CC[NH2+]Cc1ccc(c(c1)C(F)(F)F)[*:1]
CC[NH2+]Cc1ccc(O[C@H](C)[C@@H](C)O)c(C(F)(F)F)c1 FC(F)(F)[*:1] CC[NH2+]Cc1ccc(O[C@H](C)[C@@H](C)O)c(c1)[*:1]
CC[NH2+]Cc1ccc(O[C@H](C)[C@@H](C)O)c(C(F)(F)F)c1 C[C@@H](O)[C@@H](C)[*:1] CC[NH2+]Cc1ccc(O[*:1])c(c1)C(F)(F)F
CC[NH2+]Cc1ccc(O[C@H](C)[C@@H](C)O)c(C(F)(F)F)c1 C[C@@H](O)[*:1] CC[NH2+]Cc1ccc(O[C@H](C)[*:1])c(c1)C(F)(F)F
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 Clc1cccc(c1)C[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCC[C@](CO)(C1)[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCC[C@@](CO)(C1)C[*:1]
CC(C)Cn1ccnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1=O FC(F)(F)[*:1] CC(C)Cn1ccnc(c1=O)N1CCC[C@H](C1)c1nc(cs1)[*:1]
CC(C)Cn1ccnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1=O CC(C)[*:1] O=c1c(nccn1C[*:1])N1CCC[C@H](C1)c1nc(cs1)C(F)(F)F
CC(C)Cn1ccnc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1=O CC(C)C[*:1] O=c1c(nccn1[*:1])N1CCC[C@H](C1)c1nc(cs1)C(F)(F)F
CC(=O)N1CCC[C@H]1c1cccc(NCC2CCOCC2)n1 C1CC(CCO1)C[*:1] CC(=O)N1CCC[C@H]1c1cccc(n1)N[*:1]
CC(=O)N1CCC[C@H]1c1cccc(NCC2CCOCC2)n1 C1CC(CCO1)[*:1] CC(=O)N1CCC[C@H]1c1cccc(n1)NC[*:1]
CCc1ccc(C[NH+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)o1 CCc1ccc(C[*:1])o1 O=C(c1cccc(Cl)c1)N1CCC[NH+](CC1)[*:1]
CCc1ccc(C[NH+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)o1 Clc1cccc(c1)[*:1] CCc1ccc(C[NH+]2CCCN(CC2)C(=O)[*:1])o1
CCc1ccc(C[NH+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)o1 CCc1ccc(o1)[*:1] O=C(c1cccc(Cl)c1)N1CCC[NH+](CC1)C[*:1]
COC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)o1 COC(=O)CS[*:1] CC(=O)Nc1ccc(cc1)-c1nnc(o1)[*:1]
COC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)o1 COC(=O)[*:1] CC(=O)Nc1ccc(cc1)-c1nnc(o1)SC[*:1]
COC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)o1 COC(=O)C[*:1] CC(=O)Nc1ccc(cc1)-c1nnc(o1)S[*:1]
COC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)o1 CC(=O)N[*:1] COC(=O)CSc1nnc(o1)-c1ccc(cc1)[*:1]
C[C@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] C[C@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H](CO1)[*:1]
CCOc1cccc(C(=O)N(C)[C@H](C)c2ccccc2F)c1 CCO[*:1] C[C@H](c1ccccc1F)N(C)C(=O)c1cccc(c1)[*:1]
CCOc1cccc(C(=O)N(C)[C@H](C)c2ccccc2F)c1 Fc1ccccc1[*:1] CCOc1cccc(c1)C(=O)N(C)[C@H](C)[*:1]
N#Cc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1nc(no1)-c1ccccc1
N#Cc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)C1CC[NH+](CC1)Cc1nc(no1)[*:1]
COCC[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 COC[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1
COCC[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 COCC[*:1] C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1)[*:1]
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)[C@H]2C(=O)N1c1cccc(c1)[*:1]
Cc1ncc(C[NH2+]CCNC(=O)C(C)C)n1-c1ccccc1 CC(C)C(=O)N[*:1] Cc1ncc(C[NH2+]CC[*:1])n1-c1ccccc1
Cc1ncc(C[NH2+]CCNC(=O)C(C)C)n1-c1ccccc1 CC(C)[*:1] Cc1ncc(C[NH2+]CCNC(=O)[*:1])n1-c1ccccc1
Cc1ncc(C[NH2+]CCNC(=O)C(C)C)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ncc(C[NH2+]CCNC(=O)C(C)C)n1[*:1]
Cc1ncc(C[NH2+]CCNC(=O)C(C)C)n1-c1ccccc1 CC(C)C(=O)NC[*:1] Cc1ncc(C[NH2+]C[*:1])n1-c1ccccc1
CCc1ccc([C@H](C)NC(=O)NC[C@@H](C)C[C@@H](C)O)cc1 C[C@@H](O)C[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)NC[C@@H](C)[*:1]
CCc1ccc([C@H](C)NC(=O)NC[C@@H](C)C[C@@H](C)O)cc1 C[C@@H](O)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)NC[C@@H](C)C[*:1]
Cc1cc(C)c(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)c(C)c1 Clc1cccc(c1)[*:1] Cc1cc(C)c(NC(=O)Cn2c(nc(C)cc2=O)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1cc(=O)n(CC(=O)N[*:1])c(n1)-c1cccc(Cl)c1
CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1 C(=C[*:1])c1ccccc1 CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)[*:1])s1
CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1 c1ccc(cc1)[*:1] CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)C=C[*:1])s1
CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1)[*:1]
O=C(c1ccccc1)[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1cc(Cl)ccc1=O O=C(c1ccccc1)[*:1] O=C([C@H](n1cc(Cl)ccc1=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(c1ccccc1)[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1cc(Cl)ccc1=O O=c1ccc(Cl)cn1[*:1] O=C(c1ccccc1)[C@H](C(=O)N1CCN(CC1)c1ccccc1)[*:1]
O=C(c1ccccc1)[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1cc(Cl)ccc1=O c1ccc(cc1)[*:1] O=C(c1ccccc1)[C@H](C(=O)N1CCN(CC1)[*:1])n1cc(Cl)ccc1=O
O=C(c1ccccc1)[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1cc(Cl)ccc1=O c1ccc(cc1)[*:1] O=C([C@@H](C(=O)[*:1])n1cc(Cl)ccc1=O)N1CCN(CC1)c1ccccc1
O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 O=S1(=O)CC[C@@H](C1)C[*:1] O=C(N1CCC[C@@H](C1)c1nc(cc(=O)[nH]1)-c1cccs1)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 c1csc(c1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C1)c1nc(cc(=O)[nH]1)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1nc(cc(=O)[nH]1)-c1cccs1
COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1 COc1ccc(cc1)[*:1] Cc1nnc(SCC(=O)N[C@@H]2CC[C@H](C2)[NH+](C)C)n1[*:1]
CC[C@H](NC(=O)NCCc1ccc(F)cc1C)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@H](NC(=O)NCCc1ccc(F)cc1C)[*:1]
COC(=O)[C@@H](NC(=O)c1oc(C)nc1C)c1ccc(Cl)c(F)c1 Cc1nc(C)c(o1)[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@@H](NC(=O)c1oc(C)nc1C)c1ccc(Cl)c(F)c1 COC(=O)[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H](c1ccc(Cl)c(F)c1)[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)CC2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)C[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)CC2CCCCC2)cc1 C1CCC(CC1)C[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)[*:1]
COc1cccc([C@H](C[NH2+][C@@H](C)C2(C)CC2)N(C)C)c1 CN(C)[*:1] COc1cccc(c1)[C@H](C[NH2+][C@@H](C)C1(C)CC1)[*:1]
COc1cccc([C@H](C[NH2+][C@@H](C)C2(C)CC2)N(C)C)c1 CC1(CC1)[*:1] COc1cccc(c1)[C@H](C[NH2+][C@@H](C)[*:1])N(C)C
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C[C@]23C=C[C@H]1O3 FC(F)(F)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)c1cccc(c1)[*:1]
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C[C@]23C=C[C@H]1O3 FC(F)(F)c1cccc(c1)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1F Fc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccccc1F
O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CSc1nnc(o1)-c1ccc(F)cc1)N[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)C(C)(C)CCCc2ccccc2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)C(C)(C)CC[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)C(C)(C)CCCc2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)C(C)(C)CCC[*:1]
CCOC(=O)CCCn1c(=S)[nH]c2c(C)nn(C)c21 CCOC(=O)[*:1] Cc1nn(C)c2c1[nH]c(=S)n2CCC[*:1]
CCOC(=O)CCCn1c(=S)[nH]c2c(C)nn(C)c21 CCOC(=O)C[*:1] Cc1nn(C)c2c1[nH]c(=S)n2CC[*:1]
COc1ccc(OCC(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1nnc(o1)-c1cccc(Br)c1
COc1ccc(OCC(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1 Brc1cccc(c1)[*:1] COc1ccc(cc1)OCC(=O)Nc1nnc(o1)[*:1]
Cn1cccc1C[NH+]1CCC(OCCCO)CC1 Cn1cccc1[*:1] OCCCOC1CC[NH+](CC1)C[*:1]
Cn1cccc1C[NH+]1CCC(OCCCO)CC1 OCC[*:1] Cn1cccc1C[NH+]1CCC(CC1)OC[*:1]
Cn1cccc1C[NH+]1CCC(OCCCO)CC1 OCCCO[*:1] Cn1cccc1C[NH+]1CCC(CC1)[*:1]
Cn1cccc1C[NH+]1CCC(OCCCO)CC1 OCCC[*:1] Cn1cccc1C[NH+]1CCC(CC1)O[*:1]
CCOc1cc(/C=C2/SC(=S)N=C2[O-])ccc1O CCO[*:1] [O-]C1=NC(=S)S/C1=C/c1ccc(O)c(c1)[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 Cn1nc(ccc1=O)[*:1] Cc1cccc(C)c1OC1CCN(CC1)C(=O)[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 Cc1cccc(C)c1[*:1] Cn1nc(ccc1=O)C(=O)N1CCC(CC1)O[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1F)[*:1]
COc1ccc(C[C@H](C)C=O)cc1 C[C@H](C=O)[*:1] COc1ccc(cc1)C[*:1]
O=[N+]([O-])c1ccc(OC/C=C/c2ccccc2Cl)cc1 O=[N+]([O-])[*:1] Clc1ccccc1/C=C/COc1ccc(cc1)[*:1]
N#C[C@H]1C(SCC(=O)Nc2ccccc2)=NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] N#C[C@H]1C(=NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-])SCC(=O)N[*:1]
N#C[C@H]1C(SCC(=O)Nc2ccccc2)=NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] N#C[C@H]1C(=NC(=O)C[C@@H]1[*:1])SCC(=O)Nc1ccccc1
N#C[C@H]1C(SCC(=O)Nc2ccccc2)=NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-] O=C(Nc1ccccc1)[*:1] N#C[C@H]1C(=NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-])SC[*:1]
N#C[C@H]1C(SCC(=O)Nc2ccccc2)=NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#C[C@H]1C(=NC(=O)C[C@H]1c1ccccc1[*:1])SCC(=O)Nc1ccccc1
CC(C)N(Cc1ccccc1)C(=O)[C@H](C)S(=O)(=O)c1ccccn1 c1ccc(nc1)[*:1] CC(C)N(Cc1ccccc1)C(=O)[C@H](C)S(=O)(=O)[*:1]
CC(C)N(Cc1ccccc1)C(=O)[C@H](C)S(=O)(=O)c1ccccn1 CC(C)[*:1] C[C@@H](C(=O)N(Cc1ccccc1)[*:1])S(=O)(=O)c1ccccn1
CC(C)N(Cc1ccccc1)C(=O)[C@H](C)S(=O)(=O)c1ccccn1 c1ccc(cc1)C[*:1] CC(C)N(C(=O)[C@H](C)S(=O)(=O)c1ccccn1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)[C@H](C)S(=O)(=O)c1ccccn1 c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)[C@H](C)S(=O)(=O)c1ccccn1
O=C(Nc1cc(N2CCCC2)ncn1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1cc(ncn1)N1CCCC1)N[*:1]
O=C(Nc1cc(N2CCCC2)ncn1)NC1CCCCC1 C1CCN(C1)[*:1] O=C(Nc1cc(ncn1)[*:1])NC1CCCCC1
COc1ccc(CNC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cc1F FC(F)[*:1] COc1ccc(cc1F)CNC(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
COc1ccc(CNC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cc1F FC(F)O[*:1] COc1ccc(cc1F)CNC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Oc1ccc(-c2nc(C3CC3)no2)cc1 C1CC1[*:1] Oc1ccc(cc1)-c1nc(no1)[*:1]
CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](C)C1 CC(C)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)[C@H]([NH3+])[*:1]
Cc1nnsc1C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 Cc1nnsc1[*:1] O=C(N1CCC[C@@H](C1)c1[nH]ncc1-c1ccc(F)cc1)[*:1]
Cc1nnsc1C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] Cc1nnsc1C(=O)N1CCC[C@@H](C1)c1[nH]ncc1[*:1]
COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(F)cc2Cl)C(C)C)cc1 Fc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)C(=O)N[C@@H](C(=O)N[*:1])C(C)C
COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(F)cc2Cl)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)Nc1ccc(F)cc1Cl
COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(F)cc2Cl)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)N[C@@H](C(=O)Nc1ccc(F)cc1Cl)[*:1]
CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 CCO[*:1] O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 c1coc(c1)[*:1] CCOc1ccc(cc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[*:1]
CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 CCOc1ccc(cc1)[*:1] O=C(c1ccco1)N1CCCc2cc(ccc21)NC(=O)[*:1]
COC(=O)[C@@H]1CCCN(CN2C(=O)[C@H]3CCC[C@H]32)C1 COC(=O)[*:1] O=C1[C@H]2CCC[C@H]2N1CN1CCC[C@H](C1)[*:1]
Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(C1CC1)CO2 C1CC1[*:1] Cc1cc2OCN(Cc2c2O/C(=C\C=C\c3ccccc3)C(=O)c12)[*:1]
Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(C1CC1)CO2 c1ccc(cc1)[*:1] Cc1cc2OCN(Cc2c2O/C(=C\C=C[*:1])C(=O)c12)C1CC1
Cc1cc2c(c3c1C(=O)/C(=C/C=C/c1ccccc1)O3)CN(C1CC1)CO2 C(=C[*:1])c1ccccc1 Cc1cc2OCN(Cc2c2OC(=C[*:1])C(=O)c12)C1CC1
CCCSc1ncc(Cl)c(C(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)n1 Clc1ccccc1[*:1] CCCSc1ncc(Cl)c(n1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCSc1ncc(Cl)c(C(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)n1 CCC[*:1] O=C(c1nc(ncc1Cl)S[*:1])N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1
CCCSc1ncc(Cl)c(C(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)n1 Clc1ccccc1C[*:1] CCCSc1ncc(Cl)c(n1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCSc1ncc(Cl)c(C(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)n1 CCCS[*:1] O=C(c1nc(ncc1Cl)[*:1])N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1
C=C(C)[C@H]([NH2+]CC)c1ccccn1 C=C(C)[*:1] CC[NH2+][C@H](c1ccccn1)[*:1]
Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(C)o1 CS(=O)(=O)[*:1] Cc1cc(c(C)o1)[C@H](C)[NH2+][C@@H]1CCC[C@H](C1)[*:1]
COc1ccc(NC(=O)[C@@H]2CC(=O)N(N3CCN(C)CC3)/C(=N/c3ccccc3)S2)cc1 COc1ccc(cc1)[*:1] CN1CCN(CC1)N1C(=O)C[C@H](S/C1=N\c1ccccc1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@@H]2CC(=O)N(N3CCN(C)CC3)/C(=N/c3ccccc3)S2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C(=N[*:1])S1)N1CCN(C)CC1
CN(CCc1ccccc1)C(=O)c1occc1Br c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)c1occc1Br
CN(CCc1ccccc1)C(=O)c1occc1Br Brc1ccoc1[*:1] CN(CCc1ccccc1)C(=O)[*:1]
COc1ccc(NC(=O)NCc2cn3c(C)cccc3[nH+]2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])NC(=O)NCc1cn2c(C)cccc2[nH+]1
COc1ccc(NC(=O)NCc2cn3c(C)cccc3[nH+]2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])NC(=O)NCc1cn2c(C)cccc2[nH+]1
CCCc1cc(C(=O)Nc2cccc(CN(C)C(C)=O)c2)[nH]n1 CC(=O)N(C)C[*:1] CCCc1cc([nH]n1)C(=O)Nc1cccc(c1)[*:1]
CCCc1cc(C(=O)Nc2cccc(CN(C)C(C)=O)c2)[nH]n1 CCC[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)c1cc(n[nH]1)[*:1]
CCCc1cc(C(=O)Nc2cccc(CN(C)C(C)=O)c2)[nH]n1 CC(=O)N(C)[*:1] CCCc1cc([nH]n1)C(=O)Nc1cccc(c1)C[*:1]
O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)[*:1]
O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccc1)[*:1]
O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccc(F)cc1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])N[C@H](c1ccccc1)c1ccc(F)cc1
O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccc(F)cc1 C1CO[C@@H](C1)C[*:1] O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)N[*:1]
C1=NN(Cc2ccccc2)[C@@H]2N[C@@H](c3ccoc3)N=C12 c1cc(co1)[*:1] C1=NN(Cc2ccccc2)[C@@H]2N[C@@H](N=C12)[*:1]
C1=NN(Cc2ccccc2)[C@@H]2N[C@@H](c3ccoc3)N=C12 c1ccc(cc1)[*:1] C1=NN(C[*:1])[C@@H]2N[C@H](N=C12)c1ccoc1
CCNC(=O)[C@@H]1CCN(c2ccc(CC)cc2)C1=O CCNC(=O)[*:1] CCc1ccc(cc1)N1CC[C@H](C1=O)[*:1]
Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1c(Cc2ccccc2)nnc1SCC(=O)N[*:1]
Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cn1c(C[*:1])nnc1SCC(=O)Nc1ccc(Cl)cc1
Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)C[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccc(Cl)cc1
CCNC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2cc(C)cc(C)c2)n1 Cc1cc(C)cc(c1)OC[*:1] CCNC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(n1)[*:1]
CCNC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2cc(C)cc(C)c2)n1 CCNC(=O)N[*:1] Cc1cc(C)cc(c1)OCc1nc(cs1)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
CCNC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2cc(C)cc(C)c2)n1 Cc1cc(C)cc(c1)[*:1] CCNC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(CO[*:1])n1
CCNC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2cc(C)cc(C)c2)n1 Cc1cc(C)cc(c1)O[*:1] CCNC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(C[*:1])n1
COC(=O)C[C@@H](c1ccccc1)c1cn(C)c2ccccc12 c1ccc(cc1)[*:1] COC(=O)C[C@@H](c1cn(C)c2ccccc12)[*:1]
COC(=O)C[C@@H](c1ccccc1)c1cn(C)c2ccccc12 COC(=O)[*:1] Cn1cc(c2ccccc21)[C@@H](C[*:1])c1ccccc1
COC(=O)C[C@@H](c1ccccc1)c1cn(C)c2ccccc12 COC(=O)C[*:1] Cn1cc(c2ccccc21)[C@H](c1ccccc1)[*:1]
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCCNC(=O)c1cccnc1 O=C(N[*:1])c1cccnc1 C[C@@H]1C[C@@H](CN1C(=O)NCC[*:1])c1ccc(F)cc1
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCCNC(=O)c1cccnc1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1C(=O)NCCNC(=O)c1cccnc1)[*:1]
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCCNC(=O)c1cccnc1 c1cncc(c1)[*:1] C[C@@H]1C[C@@H](CN1C(=O)NCCNC(=O)[*:1])c1ccc(F)cc1
COC(=O)c1ccc(C(=O)N(CC[NH+]2CCOCC2)c2nc3c(C)ccc(Cl)c3s2)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1ccc(Cl)c2sc(nc12)N(CC[NH+]1CCOCC1)C(=O)[*:1]
COC(=O)c1ccc(C(=O)N(CC[NH+]2CCOCC2)c2nc3c(C)ccc(Cl)c3s2)cc1 COC(=O)[*:1] Cc1ccc(Cl)c2sc(nc12)N(CC[NH+]1CCOCC1)C(=O)c1ccc(cc1)[*:1]
C[C@H](C1CC1)N(C(=O)NCc1csc(C2CC2)n1)C1CC1 C1CC1[*:1] C[C@H](C1CC1)N(C(=O)NCc1csc(n1)C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)NCc1csc(C2CC2)n1)C1CC1 C[C@H](C1CC1)[*:1] O=C(NCc1csc(n1)C1CC1)N(C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)NCc1csc(C2CC2)n1)C1CC1 C1CC1[*:1] C[C@H](C1CC1)N(C(=O)NCc1csc(n1)[*:1])C1CC1
C[C@H](C1CC1)N(C(=O)NCc1csc(C2CC2)n1)C1CC1 C1CC1[*:1] C[C@H](N(C(=O)NCc1csc(n1)C1CC1)C1CC1)[*:1]
O=C(NCc1nnn[n-]1)c1ccc2nc(C3CCCCC3)oc2c1 C1CCC(CC1)[*:1] O=C(NCc1nnn[n-]1)c1ccc2nc(oc2c1)[*:1]
CC(C)CCN1C(=O)N=C2C(c3ccccn3)=NS[C@H]2C1=O CC(C)[*:1] O=C1N=C2C(=NS[C@H]2C(=O)N1CC[*:1])c1ccccn1
CC(C)CCN1C(=O)N=C2C(c3ccccn3)=NS[C@H]2C1=O CC(C)C[*:1] O=C1N=C2C(=NS[C@H]2C(=O)N1C[*:1])c1ccccn1
CC(C)CCN1C(=O)N=C2C(c3ccccn3)=NS[C@H]2C1=O CC(C)CC[*:1] O=C1N=C2C(=NS[C@H]2C(=O)N1[*:1])c1ccccn1
CC(C)CCN1C(=O)N=C2C(c3ccccn3)=NS[C@H]2C1=O c1ccc(nc1)[*:1] CC(C)CCN1C(=O)N=C2C(=NS[C@H]2C1=O)[*:1]
Cc1occc1-c1nnc(SCc2cccc(NC(=O)OC(C)(C)C)c2)n1C CC(C)(C)[*:1] Cc1occc1-c1nnc(SCc2cccc(c2)NC(=O)O[*:1])n1C
Cc1occc1-c1nnc(SCc2cccc(NC(=O)OC(C)(C)C)c2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])SCc1cccc(c1)NC(=O)OC(C)(C)C
Cc1occc1-c1nnc(SCc2cccc(NC(=O)OC(C)(C)C)c2)n1C CC(C)(C)OC(=O)N[*:1] Cc1occc1-c1nnc(SCc2cccc(c2)[*:1])n1C
CCO[C@H](C)C(=O)Nc1nc(-c2ccc(C)s2)ns1 CCO[*:1] Cc1ccc(s1)-c1nsc(n1)NC(=O)[C@@H](C)[*:1]
CCO[C@H](C)C(=O)Nc1nc(-c2ccc(C)s2)ns1 CCO[C@H](C)[*:1] Cc1ccc(s1)-c1nsc(n1)NC(=O)[*:1]
CCO[C@H](C)C(=O)Nc1nc(-c2ccc(C)s2)ns1 Cc1ccc(s1)[*:1] CCO[C@H](C)C(=O)Nc1nc(ns1)[*:1]
C[NH+](C)CCS[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] CC(C)(C)[*:1] C[NH+](C)CCS[C@@H]1C[C@H](CC[C@@H]1[NH3+])[*:1]
CCOc1ccc(C(=O)CSc2nc([O-])c3ccccc3n2)cc1 CCO[*:1] O=C(CSc1nc([O-])c2ccccc2n1)c1ccc(cc1)[*:1]
Cc1cc(N[C@@H](C)[C@@H](O)c2ccc(Cl)cc2)ncc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] Cc1cc(ncc1[N+](=O)[O-])N[C@@H](C)[C@@H](O)[*:1]
Cc1cc(N[C@@H](C)[C@@H](O)c2ccc(Cl)cc2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N[C@@H](C)[C@@H](O)c1ccc(Cl)cc1
COC(=O)c1cccc(CBr)c1Br COC(=O)[*:1] BrCc1cccc(c1Br)[*:1]
C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C[C@H](O)[*:1]
COC[C@H](Nc1cnn(C)c(=O)c1Cl)c1ccc(F)c(F)c1 COC[*:1] Cn1ncc(N[C@H](c2ccc(F)c(F)c2)[*:1])c(Cl)c1=O
CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)C(=O)Nc1ccc(C)c(c1)[*:1]
O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)Nc1nccs1 O=C(C[*:1])Nc1nccs1 O=c1c2cnn(-c3ccc(F)cc3)c2nc2SC[C@H](n21)[*:1]
O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)Nc1nccs1 O=C(Nc1nccs1)[*:1] O=c1c2cnn(-c3ccc(F)cc3)c2nc2SC[C@@H](C[*:1])n21
O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)Nc1nccs1 c1csc(n1)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)N[*:1]
O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)Nc1nccs1 Fc1ccc(cc1)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21)Nc1nccs1
O=C(NCc1nnc2n1CCC2)N[C@H](CO)c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] O=C(NCc1nnc2CCCn21)N[C@H](CO)[*:1]
O=C(NCc1nnc2n1CCC2)N[C@H](CO)c1ccc(Cl)c(F)c1 C1Cc2nnc(n2C1)[*:1] O=C(NC[*:1])N[C@H](CO)c1ccc(Cl)c(F)c1
CCc1nn(C)cc1NC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C CCc1nn(C)cc1[*:1] Cc1cc(ccc1NC(=O)N[*:1])N1CCCC[C@H]1C
CCc1nn(C)cc1NC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C C[C@@H]1CCCCN1[*:1] CCc1nn(C)cc1NC(=O)Nc1ccc(cc1C)[*:1]
COc1ccccc1CNC(=O)NC[C@@H](C)c1ccsc1 c1cc(cs1)[*:1] COc1ccccc1CNC(=O)NC[C@@H](C)[*:1]
COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1cccc(F)c1)CC3 Fc1cccc(c1)[*:1] COc1cc2nc3CCN(CCn3c(=O)c2cc1OC)C[*:1]
COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1cccc(F)c1)CC3 Fc1cccc(c1)C[*:1] COc1cc2nc3CCN(CCn3c(=O)c2cc1OC)[*:1]
Cc1cc([C@](C)(O)CNC(=O)NCC(C)(C)[NH+](C)C)c(C)o1 Cc1cc(c(C)o1)[*:1] C[NH+](C)C(C)(C)CNC(=O)NC[C@](C)(O)[*:1]
c1ccc(-c2c[nH]c([C@@H]3CCCN(c4ncnc5[nH]cnc45)C3)[nH+]2)cc1 c1ccc(cc1)[*:1] c1nc(c2nc[nH]c2n1)N1CCC[C@H](C1)c1[nH]cc([nH+]1)[*:1]
Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)[*:1]
C#CC[C@@H](C)OC(=O)[C@H](NC(C)=O)C1CCCC1 C1CCC(C1)[*:1] C#CC[C@@H](C)OC(=O)[C@H](NC(C)=O)[*:1]
C#CC[C@@H](C)OC(=O)[C@H](NC(C)=O)C1CCCC1 C#CC[C@@H](C)[*:1] CC(=O)N[C@@H](C(=O)O[*:1])C1CCCC1
C#CC[C@@H](C)OC(=O)[C@H](NC(C)=O)C1CCCC1 C#CC[*:1] CC(=O)N[C@@H](C(=O)O[C@H](C)[*:1])C1CCCC1
C#CC[C@@H](C)OC(=O)[C@H](NC(C)=O)C1CCCC1 CC(=O)N[*:1] C#CC[C@@H](C)OC(=O)[C@H](C1CCCC1)[*:1]
C[C@@H](C(=O)OCCc1cccc(C(F)(F)F)c1)N1C(=O)NC2(CCCC2)C1=O FC(F)(F)[*:1] C[C@@H](C(=O)OCCc1cccc(c1)[*:1])N1C(=O)NC2(CCCC2)C1=O
OC1CCN(c2[nH+]c3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1 OC1CCN(CC1)[*:1] Clc1ccc(cc1Cl)Cn1c([nH+]c2ccccc21)[*:1]
OC1CCN(c2[nH+]c3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1 Clc1ccc(cc1Cl)[*:1] OC1CCN(CC1)c1[nH+]c2ccccc2n1C[*:1]
COc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3cccc(F)c3)nc2c1 Fc1cccc(c1)[*:1] COc1ccc2sc(nc2c1)N(CCC[NH+](C)C)C(=O)[*:1]
O=C(Cc1nc([C@H]2CN3CCC[C@H]3CO2)no1)C1CC1 O=C(C[*:1])C1CC1 C1C[C@H]2CO[C@H](CN2C1)c1noc(n1)[*:1]
O=C(Cc1nc([C@H]2CN3CCC[C@H]3CO2)no1)C1CC1 C1CC1[*:1] O=C(Cc1nc(no1)[C@H]1CN2CCC[C@H]2CO1)[*:1]
O=C(Cc1nc([C@H]2CN3CCC[C@H]3CO2)no1)C1CC1 O=C(C1CC1)[*:1] C1C[C@H]2CO[C@H](CN2C1)c1noc(C[*:1])n1
COCC(=O)NCC[C@H]1C[C@H]2CC[C@@H]1C2 COC[*:1] O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
CC(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC(C)OC(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CC(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 CC(C)[*:1] O=C(N[C@H]1C=C[C@H](C1)C(=O)[O-])O[*:1]
C#CCOc1ccc(C[NH+](C)Cc2ccc(OC)c(O)c2)cc1 C#CCO[*:1] COc1ccc(cc1O)C[NH+](C)Cc1ccc(cc1)[*:1]
C#CCOc1ccc(C[NH+](C)Cc2ccc(OC)c(O)c2)cc1 C#CC[*:1] COc1ccc(cc1O)C[NH+](C)Cc1ccc(cc1)O[*:1]
C[C@@H]1C[C@H]([NH3+])CN(Cc2csc(-c3ccco3)n2)C1 c1coc(c1)[*:1] C[C@@H]1C[C@H]([NH3+])CN(Cc2csc(n2)[*:1])C1
O=C(CCSc1ccc(F)cc1)Nc1cccc(N2CCCC2=O)c1 Fc1ccc(cc1)[*:1] O=C(CCS[*:1])Nc1cccc(c1)N1CCCC1=O
O=C(CCSc1ccc(F)cc1)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(CCSc1ccc(F)cc1)Nc1cccc(c1)[*:1]
O=C(CCSc1ccc(F)cc1)Nc1cccc(N2CCCC2=O)c1 Fc1ccc(cc1)S[*:1] O=C(CC[*:1])Nc1cccc(c1)N1CCCC1=O
C=CCNC(=O)C(=O)Nc1nn(-c2ccccc2Cl)cc1C Clc1ccccc1[*:1] C=CCNC(=O)C(=O)Nc1nn(cc1C)[*:1]
C=CCNC(=O)C(=O)Nc1nn(-c2ccccc2Cl)cc1C C=CC[*:1] Cc1cn(nc1NC(=O)C(=O)N[*:1])-c1ccccc1Cl
COC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)[*:1]
COC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])[C@H]1CCn2cc[nH+]c2C1
O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(Br)cc1 C1CC1[*:1] O=S(=O)(N[C@@H](c1ccccc1)[*:1])c1ccc(Br)cc1
O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=S(=O)(N[C@@H](c1ccccc1)C1CC1)[*:1]
O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(Br)cc1 c1ccc(cc1)[*:1] O=S(=O)(N[C@@H](C1CC1)[*:1])c1ccc(Br)cc1
CC(C)SC[C@@H]([NH3+])Cc1nc2ccccc2n1C CC(C)[*:1] Cn1c(C[C@H]([NH3+])CS[*:1])nc2ccccc21
CC(C)SC[C@@H]([NH3+])Cc1nc2ccccc2n1C CC(C)SC[*:1] Cn1c(C[C@H]([NH3+])[*:1])nc2ccccc21
CC(C)SC[C@@H]([NH3+])Cc1nc2ccccc2n1C CC(C)S[*:1] Cn1c(C[C@H]([NH3+])C[*:1])nc2ccccc21
CCOC(=O)[C@H](CC)n1nc(CC)n2c(cc3oc(C)cc32)c1=O CCOC(=O)[C@H](CC)[*:1] CCc1nn(c(=O)c2cc3oc(C)cc3n12)[*:1]
CCOC(=O)[C@H](CC)n1nc(CC)n2c(cc3oc(C)cc32)c1=O CCOC(=O)[*:1] CCc1nn(c(=O)c2cc3oc(C)cc3n12)[C@@H](CC)[*:1]
CC[C@@H]([NH2+][C@H](C)Cc1cc(C)nn1-c1ccccc1)c1c(C)nn(C)c1C c1ccc(cc1)[*:1] CC[C@@H]([NH2+][C@H](C)Cc1cc(C)nn1[*:1])c1c(C)nn(C)c1C
CC[C@@H]([NH2+][C@H](C)Cc1cc(C)nn1-c1ccccc1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H]([NH2+][C@H](C)Cc1cc(C)nn1-c1ccccc1)[*:1]
CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1 CC(=O)[*:1] O=C(Cn1nc(ccc1=O)-c1ccco1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1 c1coc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)Cn1nc(ccc1=O)[*:1]
CCc1nnc(Sc2cc(C#N)cc([N+](=O)[O-])c2C)n1N O=[N+]([O-])[*:1] CCc1nnc(Sc2cc(C#N)cc(c2C)[*:1])n1N
Cn1ncnc1C[C@H](O)C1([NH+]2CCCCC2)CCCC1 Cn1ncnc1[*:1] O[C@@H](C[*:1])C1(CCCC1)[NH+]1CCCCC1
COc1ccccc1-n1cnnc1SCc1coc(-c2ccccc2)n1 COc1ccccc1[*:1] c1ccc(cc1)-c1nc(co1)CSc1nncn1[*:1]
COc1ccccc1-n1cnnc1SCc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccccc1-n1cnnc1SCc1coc(n1)[*:1]
Cc1ccccc1-n1ncc(C(=O)OCC(=O)N2CCOCC2)c1C O=C(N1CCOCC1)[*:1] Cc1ccccc1-n1ncc(C(=O)OC[*:1])c1C
Cc1ccccc1-n1ncc(C(=O)OCC(=O)N2CCOCC2)c1C Cc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)OCC(=O)N1CCOCC1
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1ccc2ccccc2c1 NC(=O)[*:1] O=C(CSc1ccc2ccccc2c1)N1Cc2ccccc2C[C@H]1[*:1]
CCCCNC(=O)[C@H](C)S[C@@H](C)c1ccc(F)cc1 CCCC[*:1] C[C@H](S[C@@H](C)c1ccc(F)cc1)C(=O)N[*:1]
CCCCNC(=O)[C@H](C)S[C@@H](C)c1ccc(F)cc1 CCC[*:1] C[C@H](S[C@@H](C)c1ccc(F)cc1)C(=O)NC[*:1]
COc1ccccc1Oc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1N COc1ccccc1[*:1] Nc1c(ncnc1N1CCN(CC1)c1cccc(Cl)c1)O[*:1]
COc1ccccc1Oc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1N COc1ccccc1O[*:1] Nc1c(ncnc1[*:1])N1CCN(CC1)c1cccc(Cl)c1
COc1ccccc1Oc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1N Clc1cccc(c1)[*:1] COc1ccccc1Oc1ncnc(c1N)N1CCN(CC1)[*:1]
Cc1ccn(-c2cc(NCCNC(=O)Cc3ccccc3)ncn2)n1 c1ccc(cc1)[*:1] Cc1ccn(n1)-c1cc(ncn1)NCCNC(=O)C[*:1]
Cc1ccn(-c2cc(NCCNC(=O)Cc3ccccc3)ncn2)n1 c1ccc(cc1)C[*:1] Cc1ccn(n1)-c1cc(ncn1)NCCNC(=O)[*:1]
Cc1ccn(-c2cc(NCCNC(=O)Cc3ccccc3)ncn2)n1 Cc1ccn(n1)[*:1] O=C(Cc1ccccc1)NCCNc1cc(ncn1)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1occc1Br CC[S@@](=O)[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])c1occc1Br
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1occc1Br Brc1ccoc1[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)[*:1]
Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cnccn3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C([C@H]1C[C@H]1[*:1])N1CCN(CC1)c1cnccn1
Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cnccn3)CC2)cc1C c1cnc(cn1)[*:1] Cc1ccc(cc1C)[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c2c(=O)[nH]n(C)c2n1 C1CCC(C1)[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)[*:1])c2c(=O)[nH]n(C)c2n1
C#CCOc1ccc(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2)cc1 C#CCO[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H](CO)c1ccc(Cl)cc1
C#CCOc1ccc(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] C#CCOc1ccc(cc1)NC(=O)N[C@@H](CO)[*:1]
C#CCOc1ccc(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2)cc1 C#CC[*:1] O=C(Nc1ccc(cc1)O[*:1])N[C@@H](CO)c1ccc(Cl)cc1
COc1cccc(CNC(=O)[C@@H](C)NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 COc1cccc(c1)C[*:1] C[C@@H](NC(=O)N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C(=O)N[*:1]
COc1cccc(CNC(=O)[C@@H](C)NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 c1ccc2[nH]c(cc2c1)[*:1] COc1cccc(c1)CNC(=O)[C@@H](C)NC(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(CNC(=O)[C@@H](C)NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C(=O)NC[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)[C@H]1COc2ccc(F)cc2C1 c1ccc(cc1)[*:1] Cc1cnn(c1NC(=O)[C@H]1COc2ccc(F)cc2C1)[*:1]
Cc1ccccc1NC(=O)c1nnn(Cc2nc(-c3cccc(Cl)c3)oc2C)c1N Cc1ccccc1[*:1] Cc1oc(nc1Cn1nnc(C(=O)N[*:1])c1N)-c1cccc(Cl)c1
Cc1ccccc1NC(=O)c1nnn(Cc2nc(-c3cccc(Cl)c3)oc2C)c1N Cc1ccccc1NC(=O)[*:1] Cc1oc(nc1Cn1nnc(c1N)[*:1])-c1cccc(Cl)c1
Cc1ccccc1NC(=O)c1nnn(Cc2nc(-c3cccc(Cl)c3)oc2C)c1N Clc1cccc(c1)[*:1] Cc1ccccc1NC(=O)c1nnn(Cc2nc(oc2C)[*:1])c1N
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[*:1]
C[NH+](CCCOc1cccc(Cl)c1)Cc1cccc(C#N)c1 Clc1cccc(c1)[*:1] C[NH+](CCCO[*:1])Cc1cccc(C#N)c1
COc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1ccccc1Cl Clc1ccccc1C[*:1] COc1cc(/C=C2/SC(=N)NC2=O)ccc1O[*:1]
COc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1ccccc1Cl Clc1ccccc1[*:1] COc1cc(/C=C2/SC(=N)NC2=O)ccc1OC[*:1]
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(OCC(F)F)nc1 C1C[C@H](CO1)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(nc1)OCC(F)F
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] O=C(Nc1ccc(cc1)O[C@@H]1CCOC1)c1ccc(nc1)O[*:1]
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] O=C(Nc1ccc(cc1)O[C@@H]1CCOC1)c1ccc(nc1)[*:1]
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(OCC(F)F)nc1 FC(F)[*:1] O=C(Nc1ccc(cc1)O[C@@H]1CCOC1)c1ccc(nc1)OC[*:1]
Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] Cc1nc(ccc1C(=O)N1CCC(CC1)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 c1ccc(cc1)[*:1] Cc1nc(ccc1C(=O)N1CCC(CC1)C(=O)N1CCCCC1)[*:1]
CCOc1cccnc1-c1nc(-c2ccnc(OC)c2)no1 CCO[*:1] COc1cc(ccn1)-c1noc(n1)-c1ncccc1[*:1]
Clc1ccc([C@H]2CN(Cc3cc(-c4cccnc4)no3)CCO2)cc1 Clc1ccc(cc1)[*:1] c1cncc(c1)-c1cc(CN2CCO[C@H](C2)[*:1])on1
Clc1ccc([C@H]2CN(Cc3cc(-c4cccnc4)no3)CCO2)cc1 c1cncc(c1)[*:1] Clc1ccc(cc1)[C@H]1CN(CCO1)Cc1cc(no1)[*:1]
CC1(C)C[C@@H](NC(=O)[C@@H]2C=CC(c3ccccc3)=NC2=O)C2=CNN(c3ccccc3)[C@@H]2C1 c1ccc(cc1)[*:1] CC1(C)C[C@@H](NC(=O)[C@@H]2C=CC(=NC2=O)[*:1])C2=CNN(c3ccccc3)[C@@H]2C1
CC1(C)C[C@@H](NC(=O)[C@@H]2C=CC(c3ccccc3)=NC2=O)C2=CNN(c3ccccc3)[C@@H]2C1 c1ccc(cc1)[*:1] CC1(C)C[C@@H](NC(=O)[C@@H]2C=CC(=NC2=O)c2ccccc2)C2=CNN([C@@H]2C1)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 CCC[*:1] Cc1cc(=O)oc2cc(ccc12)O[C@@H](C)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 CCC[C@@H](C)[*:1] Cc1cc(=O)oc2cc(ccc12)O[C@@H](C)C(=O)N[*:1]
CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccsc2)S1 C1CCC(CC1)[*:1] CC1=Nc2c(c(=O)[nH]n2[*:1])[C@@H](S1)c1ccsc1
CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccsc2)S1 c1cc(cs1)[*:1] CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](S1)[*:1]
O=C(Nc1cc(Br)ccc1Cl)c1csc(-c2ncccn2)n1 c1cnc(nc1)[*:1] O=C(Nc1cc(Br)ccc1Cl)c1csc(n1)[*:1]
CC[C@@H](NC(=O)c1ccc(-n2cncn2)cc1C)c1ccc(C)c(F)c1 c1ncn(n1)[*:1] CC[C@@H](NC(=O)c1ccc(cc1C)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)c1ccc(-n2cncn2)cc1C)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)c1ccc(cc1C)-n1cncn1)[*:1]
COc1ccccc1CN(C(=O)c1ccc(N2CCOCC2)cc1)C1CC[NH+](C)CC1 C1CN(CCO1)[*:1] COc1ccccc1CN(C(=O)c1ccc(cc1)[*:1])C1CC[NH+](C)CC1
COc1ccccc1CN(C(=O)c1ccc(N2CCOCC2)cc1)C1CC[NH+](C)CC1 COc1ccccc1C[*:1] C[NH+]1CCC(CC1)N(C(=O)c1ccc(cc1)N1CCOCC1)[*:1]
COc1ccccc1CN(C(=O)c1ccc(N2CCOCC2)cc1)C1CC[NH+](C)CC1 COc1ccccc1[*:1] C[NH+]1CCC(CC1)N(C[*:1])C(=O)c1ccc(cc1)N1CCOCC1
CC(=O)c1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 CC(=O)c1ccccc1[*:1] O=C(CN[C@H](c1ccccc1)c1ccc(Cl)cc1)N[*:1]
CC(=O)c1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)[*:1]
CC(=O)c1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 CC(=O)[*:1] O=C(CN[C@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1[*:1]
CC(=O)c1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)c1ccccc1NC(=O)CN[C@H](c1ccccc1)[*:1]
CC(=O)Nc1ccc(C[NH2+]CC2(c3ccccc3)CC2)cc1 CC(=O)N[*:1] c1ccc(cc1)C1(CC1)C[NH2+]Cc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C[NH2+]CC2(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C[NH2+]CC1(CC1)[*:1]
COc1ccc(C)cc1[C@H](O)c1ncc[nH]1 c1c[nH]c(n1)[*:1] COc1ccc(C)cc1[C@H](O)[*:1]
Cc1c(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1nnc(s1)[*:1]
Cc1c(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1nnc(s1)-c1ccc(F)cc1
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@H]3c1ccccc1 c1coc(c1)[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(C[*:1])[C@H]3c1ccccc1
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@H]3c1ccccc1 c1coc(c1)C[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N([C@H]3c1ccccc1)[*:1]
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@H]3c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@@H]3[*:1]
O=C(N[C@H]1CCCc2ccc(F)cc21)[C@H]1CC1(Cl)Cl ClC1(Cl)C[C@@H]1[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)[*:1]
C[C@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1C C[C@H]1C[C@@H]1[*:1] C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)[*:1]
O=C1CCCC[C@@H]1Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C1CCCC[C@@H]1Sc1nnc(-c2ccncc2)n1[*:1]
O=C1CCCC[C@@H]1Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 c1cc(ccn1)[*:1] O=C1CCCC[C@@H]1Sc1nnc(n1-c1ccc(Cl)c(Cl)c1)[*:1]
O=C(Nc1ccc(Oc2cccnc2)nc1)N[C@H](CO)Cc1ccccc1 c1cncc(c1)O[*:1] O=C(Nc1ccc(nc1)[*:1])N[C@H](CO)Cc1ccccc1
O=C(Nc1ccc(Oc2cccnc2)nc1)N[C@H](CO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(nc1)Oc1cccnc1)N[C@H](CO)[*:1]
O=C(Nc1ccc(Oc2cccnc2)nc1)N[C@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)Oc1cccnc1)N[C@H](CO)C[*:1]
O=C(Nc1ccc(Oc2cccnc2)nc1)N[C@H](CO)Cc1ccccc1 c1cncc(c1)[*:1] O=C(Nc1ccc(nc1)O[*:1])N[C@H](CO)Cc1ccccc1
O=C(NCc1ccccc1)c1cccc([N-]S(=O)(=O)CC2CCC2)c1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1cccc(c1)[N-]S(=O)(=O)CC1CCC1
O=C(NCc1ccccc1)c1cccc([N-]S(=O)(=O)CC2CCC2)c1 C1CC(C1)C[*:1] O=C(NCc1ccccc1)c1cccc(c1)[N-]S(=O)(=O)[*:1]
O=C(NCc1ccccc1)c1cccc([N-]S(=O)(=O)CC2CCC2)c1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1cccc(c1)[N-]S(=O)(=O)CC1CCC1
O=C(NCc1ccccc1)c1cccc([N-]S(=O)(=O)CC2CCC2)c1 C1CC(C1)[*:1] O=C(NCc1ccccc1)c1cccc(c1)[N-]S(=O)(=O)C[*:1]
C[C@@H](CCl)CS(=O)(=O)/N=c1\ccc2[nH+]c([O-])c([O-])[nH]c-2c1 C[C@@H](CCl)[*:1] O=S(=O)(C[*:1])/N=c1\ccc2[nH+]c([O-])c([O-])[nH]c-2c1
C[C@@H](CCl)CS(=O)(=O)/N=c1\ccc2[nH+]c([O-])c([O-])[nH]c-2c1 C[C@@H](CCl)C[*:1] O=S(=O)(/N=c1\ccc2[nH+]c([O-])c([O-])[nH]c-2c1)[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N(C)[C@@H](C)C1CC1 C1CC1[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N(C)[C@@H](C)[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N(C)[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N(C)[*:1]
N#C/C(=C\c1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 c1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)Nc1sc2CCCCc2c1C(N)=O
N#C/C(=C\c1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 NC(=O)[*:1] N#C/C(=C\c1ccccc1)C(=O)Nc1sc2CCCCc2c1[*:1]
COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)c2nccs2)C1 c1csc(n1)[*:1] COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)[*:1])C1
Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1 Cc1noc(C)c1C[*:1] C[C@H](NC(=O)c1ccc(cc1)O[*:1])c1cccnc1
Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1 C[C@@H](c1cccnc1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)c1ccc(cc1)OC[*:1])c1cccnc1
Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1 c1cncc(c1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N[C@@H](C)[*:1]
CNS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1 CNS(=O)(=O)[*:1] Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)c1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1 Cc1cc(F)ccc1[*:1] CNS(=O)(=O)c1ccc(cc1)[C@@H](C)NS(=O)(=O)[*:1]
CC(C)(CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccncc1 FC(F)(F)[*:1] CC(C)(CNC(=O)N1CC[C@@](O)(C1)[*:1])c1ccncc1
CC(C)(CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N1CC[C@](O)(C1)C(F)(F)F)[*:1]
O=C(Nc1ccc(Br)cc1C(=O)[O-])c1ccc(Br)s1 O=C([O-])[*:1] O=C(Nc1ccc(Br)cc1[*:1])c1ccc(Br)s1
O=C(Nc1ccc(Br)cc1C(=O)[O-])c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C([O-])c1cc(Br)ccc1NC(=O)[*:1]
Cc1noc(-c2cccnc2N[C@H]2CCC[C@H](C3CC3)C2)n1 C1CC1[*:1] Cc1noc(n1)-c1cccnc1N[C@H]1CCC[C@H](C1)[*:1]
Cc1noc(-c2cccnc2N[C@H]2CCC[C@H](C3CC3)C2)n1 Cc1noc(n1)[*:1] c1cnc(N[C@H]2CCC[C@@H](C2)C2CC2)c(c1)[*:1]
CC[C@@H]1CCc2c(sc(=O)n2CN2CCSCC2)C1 C1CN(CCS1)[*:1] CC[C@@H]1CCc2c(C1)sc(=O)n2C[*:1]
C#CCOC[C@@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1 C#CCO[*:1] COc1cccc(C(=O)N2CCC[C@H](C2)C[*:1])c1OC
C#CCOC[C@@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1 C#CC[*:1] COc1cccc(C(=O)N2CCC[C@@H](CO[*:1])C2)c1OC
C#CCOC[C@@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1 C#CCOC[*:1] COc1cccc(C(=O)N2CCC[C@H](C2)[*:1])c1OC
O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1ccc(cc1Cl)[N+](=O)[O-]
O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl c1ccc(cc1)C[*:1] O=C(C[*:1])Nc1ccc(cc1Cl)[N+](=O)[O-]
O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(CCc1ccccc1)Nc1ccc(cc1Cl)[*:1]
CC[NH+](CC)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 FC(F)(F)[*:1] CC[NH+](CC)Cc1nc(no1)-c1ccc(cc1)[*:1]
O=C(Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
O=C(Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1)c1ccco1 c1cc2OCCOc2cc1[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1])c1ccco1
O=C(Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1)c1ccco1 c1coc(c1)[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)c(C)c4)nn3)CC2)cc1C Cc1ccc(cc1C)[*:1] Cc1cc(ccc1F)-n1cc(nn1)C(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)c(C)c4)nn3)CC2)cc1C Cc1cc(ccc1F)[*:1] Cc1ccc(cc1C)C(=O)NC1CCN(CC1)C(=O)c1cn(nn1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC(/C=C(\[O-])N2CCCCC2)CC1 C1CCN(CC1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC(/C=C(\[O-])[*:1])CC1
Cc1noc(C)c1S(=O)(=O)N1CCC(/C=C(\[O-])N2CCCCC2)CC1 Cc1noc(C)c1[*:1] O=S(=O)(N1CCC(/C=C(\[O-])N2CCCCC2)CC1)[*:1]
CCO[C@H]1C[C@H]1C(=O)OC1CCN(c2[nH+]ncc3ccccc23)CC1 CCO[*:1] O=C(OC1CCN(CC1)c1[nH+]ncc2ccccc12)[C@@H]1C[C@@H]1[*:1]
O=C(CCc1ccccc1)C[C@H]1C[C@H]2CC[C@@H]1C2 c1ccc(cc1)[*:1] O=C(CC[*:1])C[C@H]1C[C@H]2CC[C@@H]1C2
C[C@H](OC(=O)c1ccc(CSc2nccn2C)o1)[C@H]1CCOC1 Cn1ccnc1S[*:1] C[C@H](OC(=O)c1ccc(C[*:1])o1)[C@H]1CCOC1
C[C@H](OC(=O)c1ccc(CSc2nccn2C)o1)[C@H]1CCOC1 Cn1ccnc1[*:1] C[C@H](OC(=O)c1ccc(CS[*:1])o1)[C@H]1CCOC1
C[C@H](OC(=O)c1ccc(CSc2nccn2C)o1)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@H](OC(=O)c1ccc(CSc2nccn2C)o1)[*:1]
CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2 CCS[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)Nc1cccc(C)c1C)c1ccc(O)cc1)[*:1]
CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2 Cc1cccc(c1C)[*:1] CCSc1nc2NC(C)=C(C(=O)N[*:1])[C@@H](c3ccc(O)cc3)n2n1
CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2 Oc1ccc(cc1)[*:1] CCSc1nc2NC(C)=C(C(=O)Nc3cccc(C)c3C)[C@@H](n2n1)[*:1]
CSc1nc(C)c(CCC(=O)NCc2cccc(Cl)c2)c(=O)[nH]1 Clc1cccc(c1)[*:1] CSc1nc(C)c(CCC(=O)NC[*:1])c(=O)[nH]1
O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[*:1]
O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(o1)[*:1]
CCN(CC)C(=O)N1CCC[C@@H]1C[C@H](C)O C[C@H](O)[*:1] CCN(CC)C(=O)N1CCC[C@@H]1C[*:1]
CCN(CC)C(=O)N1CCC[C@@H]1C[C@H](C)O C[C@H](O)C[*:1] CCN(CC)C(=O)N1CCC[C@H]1[*:1]
CC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)CC1 CC(C)(C)[*:1] CC(=O)N1CCN(CC1)Cc1nc2sc3C[C@@H](CCc3c2c(=O)[nH]1)[*:1]
CC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)CC1 CC(=O)N1CCN(CC1)[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc1nc(C[*:1])[nH]c(=O)c21
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)C3CCC3)CC2)c1 C1CC(C1)[*:1] Cc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[*:1]
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)C3CCC3)CC2)c1 Cc1cccc(c1)NC(=O)[*:1] O=C(C1CCC1)N1CCCc2cc(ccc21)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)C3CCC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCC1
COc1ccc2nc(-c3ccc(Cl)c(NC(=O)Nc4cccs4)c3)cn2n1 O=C(Nc1cccs1)N[*:1] COc1ccc2nc(cn2n1)-c1ccc(Cl)c(c1)[*:1]
COc1ccc2nc(-c3ccc(Cl)c(NC(=O)Nc4cccs4)c3)cn2n1 c1csc(c1)[*:1] COc1ccc2nc(cn2n1)-c1ccc(Cl)c(c1)NC(=O)N[*:1]
Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)s1 Cc1ccc(s1)[*:1] C[C@@H]1CN(Cc2csc(n2)NC(=O)[*:1])C[C@@H](C)O1
Cc1ccc2c(c1)-c1c(cnc3cc(-c4ccc(Cl)cc4)nn13)CO2 Clc1ccc(cc1)[*:1] Cc1ccc2OCc3cnc4cc(nn4c3-c2c1)[*:1]
C[C@@H](CCl)CCc1nc(-c2ccccc2)cs1 C[C@@H](CCl)[*:1] c1ccc(cc1)-c1csc(CC[*:1])n1
Cc1nc(CSCC(=O)N2CCCC[C@@H]2C)no1 Cc1nc(no1)[*:1] C[C@H]1CCCCN1C(=O)CSC[*:1]
[NH3+]CCC1=c2cc([N+](=O)[O-])ccc2=[NH+][C@H]1C(=O)[O-] O=[N+]([O-])[*:1] [NH3+]CCC1=c2cc(ccc2=[NH+][C@H]1C(=O)[O-])[*:1]
[NH3+]CCC1=c2cc([N+](=O)[O-])ccc2=[NH+][C@H]1C(=O)[O-] O=C([O-])[*:1] [NH3+]CCC1=c2cc(ccc2=[NH+][C@@H]1[*:1])[N+](=O)[O-]
CCC[NH2+][C@@H](c1cc(OC)cc(OC)c1)c1cscc1C CCC[*:1] COc1cc(cc(c1)[C@H]([NH2+][*:1])c1cscc1C)OC
CCC[NH2+][C@@H](c1cc(OC)cc(OC)c1)c1cscc1C Cc1cscc1[*:1] CCC[NH2+][C@@H](c1cc(cc(c1)OC)OC)[*:1]
C/C(=C\C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1)C(C)(C)C CC(=C[*:1])C(C)(C)C Cc1cc(no1)NC(=O)CN1CCN(CC1)C(=O)[*:1]
C/C(=C\C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)N1CCN(CC1)CC(=O)Nc1cc(C)on1)[*:1]
C/C(=C\C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1)C(C)(C)C Cc1cc(no1)[*:1] C/C(=C\C(=O)N1CCN(CC1)CC(=O)N[*:1])C(C)(C)C
CCC[NH2+]C/C(=C\c1ccc(-c2ccccc2F)o1)CC Fc1ccccc1[*:1] CCC[NH2+]C/C(=C\c1ccc(o1)[*:1])CC
CCC[NH2+]C/C(=C\c1ccc(-c2ccccc2F)o1)CC CCC[*:1] CC/C(=C/c1ccc(o1)-c1ccccc1F)C[NH2+][*:1]
CC(C)[C@@H]1C(=O)NCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)[C@@H]1C(=O)NCCN1C(=O)CCNc1ccccc1[*:1]
CC(C)[C@@H]1C(=O)NCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] CC(C)[*:1] O=C1NCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H]1[*:1]
O=C(NCc1ccc(F)cc1)Nc1ccccc1OC1CCCC1 C1CCC(C1)[*:1] O=C(NCc1ccc(F)cc1)Nc1ccccc1O[*:1]
O=C(NCc1ccc(F)cc1)Nc1ccccc1OC1CCCC1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])Nc1ccccc1OC1CCCC1
O=C(NCc1ccc(F)cc1)Nc1ccccc1OC1CCCC1 C1CCC(C1)O[*:1] O=C(NCc1ccc(F)cc1)Nc1ccccc1[*:1]
O=C(NCc1ccc(F)cc1)Nc1ccccc1OC1CCCC1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccccc1OC1CCCC1)N[*:1]
COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1[*:1]
COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2ccccc2)cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@H]1[C@@H](CC(=O)N1Cc1ccccc1)[*:1]
COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1[C@H](CC(=O)N1C[*:1])C(=O)[O-]
COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)[C@H]1[C@H](CC(=O)N1[*:1])C(=O)[O-]
C[C@@H]([NH2+]CCc1nc[nH]n1)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] C[C@@H]([NH2+]CCc1nc[nH]n1)[C@H]1CN(CCO1)[*:1]
C[C@@H]([NH2+]CCc1nc[nH]n1)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]CCc1nc[nH]n1)[C@H]1CN(CCO1)C[*:1]
CC[C@@H](C(=O)Nc1ccc2ccccc2c1)N(c1cccc(Cl)c1)S(C)(=O)=O Clc1cccc(c1)[*:1] CC[C@@H](C(=O)Nc1ccc2ccccc2c1)N(S(C)(=O)=O)[*:1]
CN1C[C@@H](NC(=O)CCCOc2cccnc2)CC1=O c1cncc(c1)[*:1] CN1C[C@H](CC1=O)NC(=O)CCCO[*:1]
CC[NH2+][C@@H](C1CCC1)[C@H](C)c1ccccn1 C1CC(C1)[*:1] CC[NH2+][C@@H]([C@H](C)c1ccccn1)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N3CCN(C(=O)CC)CC3)ccc21 CCC[*:1] CCC(=O)N1CCN(CC1)C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
O=C(Cn1cc(Br)ccc1=O)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(Cn1cc(Br)ccc1=O)N[C@@H](CO)[*:1]
C[C@H](OCc1cc(F)cc(C#CCO)c1)C(F)(F)F FC(F)(F)[*:1] C[C@H](OCc1cc(F)cc(C#CCO)c1)[*:1]
C[C@H](OCc1cc(F)cc(C#CCO)c1)C(F)(F)F OCC#C[*:1] C[C@H](OCc1cc(F)cc(c1)[*:1])C(F)(F)F
C[C@H](OCc1cc(F)cc(C#CCO)c1)C(F)(F)F C[C@H](C(F)(F)F)[*:1] OCC#Cc1cc(F)cc(c1)CO[*:1]
CCc1ccc(CNC(=O)COc2ccccc2NC(C)=O)s1 CC(=O)N[*:1] CCc1ccc(CNC(=O)COc2ccccc2[*:1])s1
CCc1ccc(CNC(=O)COc2ccccc2NC(C)=O)s1 CCc1ccc(s1)[*:1] CC(=O)Nc1ccccc1OCC(=O)NC[*:1]
O=C(NCc1nnc2n1CCN(C(=O)c1c(F)cccc1Cl)CC2)[C@@H]1CCOC1 Fc1cccc(Cl)c1[*:1] O=C(NCc1nnc2CCN(CCn21)C(=O)[*:1])[C@@H]1CCOC1
Cc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(-n4cnnn4)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@H](N[C@@H]1CCN(C1=O)[*:1])c1ccc(cc1)-n1cnnn1
Cc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(-n4cnnn4)cc3)C2=O)cc1 c1nnnn1[*:1] Cc1ccc(cc1)N1CC[C@@H](N[C@@H](C)c2ccc(cc2)[*:1])C1=O
CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1nc2c(s1)CCC2 CC[C@H](C)[*:1] C[C@@](O)(C[NH2+]Cc1nc2CCCc2s1)[*:1]
Cc1nnc(SCc2cc(=O)nc(NC(=[NH2+])Nc3cccc(Cl)c3C)[nH]2)s1 Cc1nnc(SC[*:1])s1 Cc1c(Cl)cccc1NC(=[NH2+])Nc1nc(=O)cc([nH]1)[*:1]
Cc1nnc(SCc2cc(=O)nc(NC(=[NH2+])Nc3cccc(Cl)c3C)[nH]2)s1 Cc1nnc(S[*:1])s1 Cc1c(Cl)cccc1NC(=[NH2+])Nc1nc(=O)cc(C[*:1])[nH]1
Cc1nnc(SCc2cc(=O)nc(NC(=[NH2+])Nc3cccc(Cl)c3C)[nH]2)s1 Cc1c(Cl)cccc1[*:1] Cc1nnc(SCc2cc(=O)nc(NC(=[NH2+])N[*:1])[nH]2)s1
Cc1nnc(SCc2cc(=O)nc(NC(=[NH2+])Nc3cccc(Cl)c3C)[nH]2)s1 Cc1nnc(s1)[*:1] Cc1c(Cl)cccc1NC(=[NH2+])Nc1nc(=O)cc(CS[*:1])[nH]1
COC[C@H](NC(=O)c1cnc2ccccn12)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)[*:1])c1cnc2ccccn12
COC[C@H](NC(=O)c1cnc2ccccn12)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)c1cnc2ccccn12)[*:1]
O=C(CCC1CCN(C(=O)[C@H]2C=c3ccccc3=[NH+]2)CC1)NCc1cccnc1 c1cncc(c1)[*:1] O=C(CCC1CCN(CC1)C(=O)[C@H]1C=c2ccccc2=[NH+]1)NC[*:1]
O=C(CCC1CCN(C(=O)[C@H]2C=c3ccccc3=[NH+]2)CC1)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(CCC1CCN(CC1)C(=O)[C@H]1C=c2ccccc2=[NH+]1)N[*:1]
CSC[C@@H](C)NS(=O)(=O)c1c(C)cc(C)cc1C CSC[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](C)[*:1]
COc1ccccc1[C@@H](CNc1[nH+]c(C)cc(C)c1C(N)=O)[NH+](C)C COc1ccccc1[*:1] Cc1cc(C)c(C(N)=O)c(NC[C@@H]([NH+](C)C)[*:1])[nH+]1
COc1ccccc1[C@@H](CNc1[nH+]c(C)cc(C)c1C(N)=O)[NH+](C)C NC(=O)[*:1] COc1ccccc1[C@@H](CNc1[nH+]c(C)cc(C)c1[*:1])[NH+](C)C
Cc1nc2cc(C(=O)Nc3ccc(F)cc3F)ccc2n1-c1ccccc1 Fc1ccc(c(F)c1)[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)N[*:1]
Cc1nc2cc(C(=O)Nc3ccc(F)cc3F)ccc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2cc(ccc2n1[*:1])C(=O)Nc1ccc(F)cc1F
O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)N1CCCC1 FC(F)(F)O[*:1] O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1[*:1])N1CCCC1
O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)([N-]c1ccccc1[*:1])c1ccccc1OC(F)(F)F
O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)N1CCCC1 FC(F)(F)[*:1] O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1O[*:1])N1CCCC1
C[C@H]1C[C@H]1NC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 C[C@H]1C[C@@H]1[*:1] C[C@@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)N[*:1]
C[C@H]1C[C@H]1NC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@H]1C[C@H]1NC(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
Cc1cc(OCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCC(=O)N1CCN(CC1)C(=O)C[NH+](C)C
COc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)o1 c1ccc(nc1)[*:1] COc1ccccc1NC(=O)CSc1nnc(o1)[*:1]
COc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)o1 COc1ccccc1[*:1] O=C(CSc1nnc(o1)-c1ccccn1)N[*:1]
O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cn[nH]c1 Clc1ccc(cc1)[*:1] O=C(Cc1csc(CO[*:1])n1)Nc1cn[nH]c1
O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N[*:1]
COCc1cccc(N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] COCc1cccc(c1)N[C@@H](C)C(=O)N[C@H](C)[*:1]
COCc1cccc(N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c1 COC[*:1] C[C@H](Nc1cccc(c1)[*:1])C(=O)N[C@H](C)c1ccccc1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCO1)[C@@H]1Cc2ccccc2CN1 C1CO[C@@H](C1)C[*:1] O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1])[C@@H]1Cc2ccccc2CN1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCO1)[C@@H]1Cc2ccccc2CN1 C1CO[C@@H](C1)[*:1] O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[*:1])[C@@H]1Cc2ccccc2CN1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCO1)[C@@H]1Cc2ccccc2CN1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(N[C@H](C(=O)NC[C@@H]1CCCO1)[*:1])[C@@H]1Cc2ccccc2CN1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCO1)[C@@H]1Cc2ccccc2CN1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@H](C[*:1])C(=O)NC[C@@H]1CCCO1)[C@@H]1Cc2ccccc2CN1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCO1)[C@@H]1Cc2ccccc2CN1 O=C(NC[C@@H]1CCCO1)[*:1] O=C(N[C@H](Cc1c[nH]c2ccccc12)[*:1])[C@@H]1Cc2ccccc2CN1
CCOc1cc(NC(=O)N[C@H]2CCCC[C@@H]2[S@@](=O)CC)ccc1OC CCO[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OC)c(c1)[*:1]
Cc1c(I)cccc1C(=O)NOCC(N)=O NC(=O)C[*:1] Cc1c(I)cccc1C(=O)NO[*:1]
Cc1c(I)cccc1C(=O)NOCC(N)=O NC(=O)[*:1] Cc1c(I)cccc1C(=O)NOC[*:1]
CCc1ccccc1NS(=O)(=O)c1cc2c(cc1Cl)N(Cc1noc(C)n1)C(=O)CO2 CCc1ccccc1[*:1] Cc1nc(CN2C(=O)COc3cc(c(Cl)cc32)S(=O)(=O)N[*:1])no1
CCc1ccccc1NS(=O)(=O)c1cc2c(cc1Cl)N(Cc1noc(C)n1)C(=O)CO2 Cc1nc(C[*:1])no1 CCc1ccccc1NS(=O)(=O)c1cc2OCC(=O)N(c2cc1Cl)[*:1]
CCc1ccccc1NS(=O)(=O)c1cc2c(cc1Cl)N(Cc1noc(C)n1)C(=O)CO2 Cc1nc(no1)[*:1] CCc1ccccc1NS(=O)(=O)c1cc2OCC(=O)N(C[*:1])c2cc1Cl
CS(=O)(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CS(=O)(=O)Nc1ccccc1C(=O)NC[*:1]
CS(=O)(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CS(=O)(=O)Nc1ccccc1C(=O)N[*:1]
CS(=O)(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 CS(=O)(=O)N[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1[*:1]
O=C(NCc1ccsc1)C(=O)Nc1ccccc1-n1cncn1 c1ncn(n1)[*:1] O=C(NCc1ccsc1)C(=O)Nc1ccccc1[*:1]
O=C(NCc1ccsc1)C(=O)Nc1ccccc1-n1cncn1 c1cc(cs1)C[*:1] O=C(Nc1ccccc1-n1cncn1)C(=O)N[*:1]
O=C(NCc1ccsc1)C(=O)Nc1ccccc1-n1cncn1 c1cc(cs1)[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1-n1cncn1
COC(=O)NCc1ccc(NC(=O)N[C@@H](C)c2ncc(C)s2)cc1 COC(=O)NC[*:1] Cc1cnc(s1)[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
COC(=O)NCc1ccc(NC(=O)N[C@@H](C)c2ncc(C)s2)cc1 COC(=O)N[*:1] Cc1cnc(s1)[C@H](C)NC(=O)Nc1ccc(cc1)C[*:1]
COC(=O)NCc1ccc(NC(=O)N[C@@H](C)c2ncc(C)s2)cc1 Cc1cnc(s1)[*:1] COC(=O)NCc1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1 CCO[*:1] O=C1CCCC2Nc3nc([nH]c(=O)c3[C@H](C=21)c1ccc(cc1)[*:1])N1CCCCC1
CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1 CCOc1ccc(cc1)[*:1] O=C1CCCC2Nc3nc([nH]c(=O)c3[C@H](C=21)[*:1])N1CCCCC1
CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1 C1CCN(CC1)[*:1] CCOc1ccc(cc1)[C@H]1C2C(=O)CCCC=2Nc2nc([nH]c(=O)c21)[*:1]
Cc1cc(Cl)ccc1OCC(=O)NC(=S)N[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] Cc1cc(Cl)ccc1OCC(=O)NC(=S)N[*:1]
Cc1cc(Cl)ccc1OCC(=O)NC(=S)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1OCC(=O)NC(=S)N[C@H](C)[*:1]
Cc1cc(Cl)ccc1OCC(=O)NC(=S)N[C@H](C)c1ccccc1 Cc1cc(Cl)ccc1[*:1] C[C@@H](NC(=S)NC(=O)CO[*:1])c1ccccc1
CN(CCC#N)C(=O)CCN1CCc2sccc2[C@H]1c1cccs1 c1csc(c1)[*:1] CN(CCC#N)C(=O)CCN1CCc2sccc2[C@@H]1[*:1]
CN(CCC#N)C(=O)CCN1CCc2sccc2[C@H]1c1cccs1 N#CC[*:1] CN(C[*:1])C(=O)CCN1CCc2sccc2[C@H]1c1cccs1
CN(CCC#N)C(=O)CCN1CCc2sccc2[C@H]1c1cccs1 N#CCC[*:1] CN(C(=O)CCN1CCc2sccc2[C@H]1c1cccs1)[*:1]
CN(CCC#N)C(=O)CCN1CCc2sccc2[C@H]1c1cccs1 CN(CCC#N)C(=O)[*:1] c1csc(c1)[C@@H]1c2ccsc2CCN1CC[*:1]
Cn1ccnc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1=O Cn1ccnc(c1=O)[*:1] O=C(/C=C/c1ccc(s1)-c1ccccc1)N[*:1]
Cn1ccnc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)c1=O c1ccc(cc1)[*:1] Cn1ccnc(NC(=O)/C=C/c2ccc(s2)[*:1])c1=O
CCCC[C@@H](C(=O)[O-])[C@@H](O)c1cccc(C(F)(F)F)c1 CCC[*:1] O=C([O-])[C@H](C[*:1])[C@@H](O)c1cccc(c1)C(F)(F)F
CCCC[C@@H](C(=O)[O-])[C@@H](O)c1cccc(C(F)(F)F)c1 O=C([O-])[*:1] CCCC[C@@H]([C@@H](O)c1cccc(c1)C(F)(F)F)[*:1]
CCCC[C@@H](C(=O)[O-])[C@@H](O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCCC[C@@H](C(=O)[O-])[C@@H](O)c1cccc(c1)[*:1]
CCCC[C@@H](C(=O)[O-])[C@@H](O)c1cccc(C(F)(F)F)c1 CCCC[*:1] O=C([O-])[C@@H]([C@@H](O)c1cccc(c1)C(F)(F)F)[*:1]
CC(C)S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 CC(C)[*:1] O=C(c1cccs1)N1CCc2ccc(cc2C1)NS(=O)(=O)[*:1]
CC(C)S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 CC(C)S(=O)(=O)N[*:1] O=C(c1cccs1)N1CCc2ccc(cc2C1)[*:1]
CC(C)S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 c1csc(c1)[*:1] CC(C)S(=O)(=O)Nc1ccc2CCN(Cc2c1)C(=O)[*:1]
C[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(F)c(F)c1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CO[*:1])c1ccc(F)c(F)c1
C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@@](=O)Cc1cccc(Cl)c1 CC(C)(C)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])[S@@](=O)Cc1cccc(Cl)c1
C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@@](=O)Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] C[C@@H](C(=O)Nc1ccc(cc1)C(C)(C)C)[S@@](=O)[*:1]
C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@@](=O)Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)C(C)(C)C)[S@@](=O)C[*:1]
CC[C@@H](C)[NH2+]C[C@H]1CCC[C@@H]1Cl CC[C@@H](C)[*:1] Cl[C@H]1CCC[C@@H]1C[NH2+][*:1]
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1=O CS(=O)(=O)c1ccc(Cl)c(c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2ccccc2c1
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1=O c1ccc2cc(ccc2c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2cc(ccc2Cl)S(C)(=O)=O)C1=O)[*:1]
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1=O CS(=O)(=O)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2cc(ccc2Cl)[*:1])C1=O)c1ccc2ccccc2c1
C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H](O)c1ccccc1Cl CS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)NC[C@H](O)c1ccccc1Cl
C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H](O)c1ccccc1Cl C[C@H](CS(C)(=O)=O)[*:1] O=C(NC[C@H](O)c1ccccc1Cl)N[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H](O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H](O)[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H](O)c1ccccc1Cl CS(=O)(=O)C[*:1] C[C@H](NC(=O)NC[C@H](O)c1ccccc1Cl)[*:1]
CCC(CC)C(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1 C1CCN(C1)[*:1] CCC(CC)C(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
CCC(CC)C(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1 CCC(CC)[*:1] O=C(N1CCN(CC1)c1ccc(nn1)N1CCCC1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccncc2)o1 c1cc(ccn1)[*:1] CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(o1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccncc2)o1 c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)CSc1nnc(o1)-c1ccncc1
CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccncc2)o1 CC(C)[*:1] O=C(CSc1nnc(o1)-c1ccncc1)N(Cc1ccccc1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccncc2)o1 c1ccc(cc1)C[*:1] CC(C)N(C(=O)CSc1nnc(o1)-c1ccncc1)[*:1]
CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc2sccn32)cc1 CCO[*:1] O=C1C[C@@H](c2ccc(cc2)[*:1])c2c(N1)n1ccsc1nc2=O
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 Cc1cccc(c1)[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 NC(=O)[*:1] Cc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)c1cc(n(C)c1)[*:1]
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 Cn1cc(cc1C(N)=O)[*:1] Cc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](Sc2cccc(Cl)c2Cl)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C1)Sc1cccc(Cl)c1Cl
Cc1c(C(=O)NC[C@](C)(O)c2ccc(F)cc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NC[C@](C)(O)c1ccc(F)cc1
Cc1c(C(=O)NC[C@](C)(O)c2ccc(F)cc2)cccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NC[C@](C)(O)[*:1]
COC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C)cc1 COC(=O)[*:1] CN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S/C1=N\c1ccc(cc1)[*:1]
COC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2C)cc1 Brc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)/N=C1\S[C@@H](CC(=O)N[*:1])C(=O)N1C
COc1ccc(C(C)=O)cc1CSC1=NC(=O)C2=C(c3ccccc3)CSC2=N1 CC(=O)[*:1] COc1ccc(cc1CSC1=NC(=O)C2C(=N1)SCC=2c1ccccc1)[*:1]
COc1ccc(C(C)=O)cc1CSC1=NC(=O)C2=C(c3ccccc3)CSC2=N1 c1ccc(cc1)[*:1] COc1ccc(cc1CSC1=NC(=O)C2C(=N1)SCC=2[*:1])C(C)=O
COC(=O)c1cc(Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 COC(=O)[*:1] O=C(Oc1ccc(Cl)cc1[*:1])c1cccc(c1)[N+](=O)[O-]
COC(=O)c1cc(Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cc(Cl)ccc1OC(=O)c1cccc(c1)[*:1]
C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccc(O)cc1 C1CC1[*:1] C[C@@H]1C[NH2+][C@](C)(CN1Cc1ccc(O)cc1)[*:1]
Cc1ccc(C)c(-c2csc(NC(=O)c3cccnc3)n2)c1 c1cncc(c1)[*:1] Cc1ccc(C)c(c1)-c1csc(n1)NC(=O)[*:1]
COc1ccc2ccn(Cc3cnn(-c4ccccc4)n3)c(=O)c2c1 c1ccc(cc1)[*:1] COc1ccc2ccn(Cc3cnn(n3)[*:1])c(=O)c2c1
CCOc1ccc(CN2CCN(C(=O)NCc3ncoc3C)CC2)cc1 CCO[*:1] Cc1ocnc1CNC(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1]
O=C(CCC1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCC(Cc2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCC1CCN(CC1)C(=O)[*:1])N1CCC(CC1)Cc1ccccc1
O=C(CCC1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCC1CCN(CC1)C(=O)c1ccc(F)cc1)N1CCC(CC1)C[*:1]
O=C(CCC1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CCC1CCN(CC1)C(=O)c1ccc(F)cc1)N1CCC(CC1)[*:1]
COc1ccc(CN(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 COc1ccc(cc1)[*:1] CN(C[*:1])C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O
CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc2C1=O CCCC[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc2C1=O c1nnnn1[*:1] CCCCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(cc1)[*:1]
CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc2C1=O CCC[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
CCCCn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCC(OC)CC1)n2CC CCCC[*:1] CCn1c(C[NH+]2CCC(CC2)OC)nc2c1c(=O)[nH]c(=O)n2[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCC(OC)CC1)n2CC CCC[*:1] CCn1c(C[NH+]2CCC(CC2)OC)nc2c1c(=O)[nH]c(=O)n2C[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 CC(C)NC(=O)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)C[*:1])c1ccccc1
CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 CC(C)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)CC(=O)N[*:1])c1ccccc1
CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 C[C@@H](c1ccccc1)[*:1] CC(C)NC(=O)Cc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)NC(=O)Cc1ccc(cc1)NC(=O)C(=O)N[C@@H](C)[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 CC(C)NC(=O)C[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[*:1]
C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N1CCCCC1 Clc1ccc(c(Cl)c1)[*:1] C[C@@H](NC(=O)[C@@H](C)O[*:1])C(=O)N1CCCCC1
Cc1csc(COc2ccc(C(=O)NC3CC3)cc2)n1 C1CC1[*:1] Cc1csc(COc2ccc(cc2)C(=O)N[*:1])n1
Cc1csc(COc2ccc(C(=O)NC3CC3)cc2)n1 Cc1csc(n1)[*:1] O=C(NC1CC1)c1ccc(cc1)OC[*:1]
Cc1csc(COc2ccc(C(=O)NC3CC3)cc2)n1 O=C(NC1CC1)[*:1] Cc1csc(COc2ccc(cc2)[*:1])n1
O=C([O-])c1cc2ccccc2cc1OCCO O=C([O-])[*:1] OCCOc1cc2ccccc2cc1[*:1]
O=C([O-])c1cc2ccccc2cc1OCCO OCCO[*:1] O=C([O-])c1cc2ccccc2cc1[*:1]
O=C([O-])c1cc2ccccc2cc1OCCO OCC[*:1] O=C([O-])c1cc2ccccc2cc1O[*:1]
CC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)[*:1]
COC(=O)c1cc(CN(C)C(=O)c2ccc(OC(F)(F)F)cc2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CN(C)C(=O)c1ccc(cc1)OC(F)(F)F
COC(=O)c1cc(CN(C)C(=O)c2ccc(OC(F)(F)F)cc2)oc1C FC(F)(F)[*:1] COC(=O)c1cc(CN(C)C(=O)c2ccc(cc2)O[*:1])oc1C
COC(=O)c1cc(CN(C)C(=O)c2ccc(OC(F)(F)F)cc2)oc1C FC(F)(F)O[*:1] COC(=O)c1cc(CN(C)C(=O)c2ccc(cc2)[*:1])oc1C
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C1CCCCC1 CCC[*:1] CN(C(=O)[C@H]1CCCN1S(=O)(=O)[*:1])C1CCCCC1
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C1CCCCC1 C1CCC(CC1)[*:1] CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)[*:1]
C[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)Cc1ccc(Cl)cc1)[*:1]
C[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccncc1 Clc1ccc(cc1)C[*:1] C[C@@H](NC(=O)N1CCN(CC1)[*:1])c1ccncc1
C[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccncc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)C[*:1])c1ccncc1
CCCN(C)c1c(C[NH2+]CC)c(C)nn1C CCCN(C)[*:1] CC[NH2+]Cc1c(C)nn(C)c1[*:1]
CCCN(C)c1c(C[NH2+]CC)c(C)nn1C CCC[*:1] CC[NH2+]Cc1c(C)nn(C)c1N(C)[*:1]
COc1ccc(C[C@@H]2[NH2+]C[C@H](Sc3ccccc3)[C@H]2O)cc1 c1ccc(cc1)S[*:1] COc1ccc(cc1)C[C@@H]1[NH2+]C[C@H]([C@H]1O)[*:1]
COc1ccc(C[C@@H]2[NH2+]C[C@H](Sc3ccccc3)[C@H]2O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C[C@@H]1[NH2+]C[C@H](S[*:1])[C@H]1O
Cc1ccc([C@@H]2[C@H](C(=O)N3CCCCC3)CCC(=O)N2C)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)CC[C@@H](C(=O)N2CCCCC2)[C@H]1[*:1]
C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1=O C1CCC(C1)[*:1] C=CCNC(=O)c1cn(cc(C(=O)N2CCC[C@@H](C2)c2ccccc2)c1=O)[*:1]
C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1=O c1ccc(cc1)[*:1] C=CCNC(=O)c1cn(cc(C(=O)N2CCC[C@H](C2)[*:1])c1=O)C1CCCC1
C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1=O C=CCNC(=O)[*:1] O=C(c1cn(cc(c1=O)[*:1])C1CCCC1)N1CCC[C@@H](C1)c1ccccc1
C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1=O C=CC[*:1] O=C(N[*:1])c1cn(cc(C(=O)N2CCC[C@@H](C2)c2ccccc2)c1=O)C1CCCC1
CC[C@@H]([NH3+])CS[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[C@@H]([NH3+])CS[C@H]1CCC[C@H](C1)[*:1]
CSCC[C@H](C)N(C)S(=O)(=O)c1ccc(C)s1 CSCC[*:1] Cc1ccc(s1)S(=O)(=O)N(C)[C@@H](C)[*:1]
CSCC[C@H](C)N(C)S(=O)(=O)c1ccc(C)s1 CSC[*:1] Cc1ccc(s1)S(=O)(=O)N(C)[C@@H](C)C[*:1]
Cc1c(F)cccc1NC(=O)NCCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)NCCS(=O)(=O)[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC3(CCOCC3)C2)c1 C=CC[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCCC2(CCOCC2)C1
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC3(CCOCC3)C2)c1 C=CCNC(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCCC2(CCOCC2)C1
C[C@@H](CNC(=O)C[C@@H](O)c1ccccc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)C[C@@H](O)c1ccccc1)O[*:1]
C[C@@H](CNC(=O)C[C@@H](O)c1ccccc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)C[C@@H](O)[*:1])Oc1ccccc1
C[C@@H](CNC(=O)C[C@@H](O)c1ccccc1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)C[C@@H](O)c1ccccc1)[*:1]
Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(Br)c1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(NC(=O)c2ccc(Cl)c(c2)[*:1])c(Br)c1
Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1
O=C(C[C@@H](O)c1ccccc1)NCC(=O)OC1CCCCC1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])NCC(=O)OC1CCCCC1
O=C(C[C@@H](O)c1ccccc1)NCC(=O)OC1CCCCC1 C1CCC(CC1)[*:1] O=C(C[C@@H](O)c1ccccc1)NCC(=O)O[*:1]
CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl CN(C)C(=O)[*:1] CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(ccc1Cl)[*:1]
COCc1ccc(C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)o1 COCc1ccc(o1)[*:1] CN(C)C(=O)N1CCn2nc(cc2C1)CNC(=O)[*:1]
COCc1ccc(C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)o1 COC[*:1] CN(C)C(=O)N1CCn2nc(cc2C1)CNC(=O)c1ccc(o1)[*:1]
CCC[NH+](C1CC1)C1(CN)CCN(C(C)C)CC1 CC(C)[*:1] CCC[NH+](C1CC1)C1(CN)CCN(CC1)[*:1]
CCC[NH+](C1CC1)C1(CN)CCN(C(C)C)CC1 C1CC1[*:1] CCC[NH+](C1(CN)CCN(CC1)C(C)C)[*:1]
CCC[NH+](C1CC1)C1(CN)CCN(C(C)C)CC1 CCC[*:1] CC(C)N1CCC(CN)(CC1)[NH+](C1CC1)[*:1]
Fc1ccc(-c2ccc(C[NH2+]CC[C@H]3CCCO3)o2)cc1 C1CO[C@H](C1)[*:1] Fc1ccc(cc1)-c1ccc(C[NH2+]CC[*:1])o1
Fc1ccc(-c2ccc(C[NH2+]CC[C@H]3CCCO3)o2)cc1 Fc1ccc(cc1)[*:1] c1cc(oc1C[NH2+]CC[C@H]1CCCO1)[*:1]
COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C O=C(N[*:1])C1CC1 COc1c(cn(C)c1-c1nc2cc(ccc2n1C)[*:1])C(=O)N(C)C
COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C C1CC1[*:1] COc1c(cn(C)c1-c1nc2cc(ccc2n1C)NC(=O)[*:1])C(=O)N(C)C
COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C CN(C)C(=O)[*:1] COc1c(cn(C)c1-c1nc2cc(ccc2n1C)NC(=O)C1CC1)[*:1]
Cn1nccc1C(=O)OCc1nc2cc(C(F)(F)F)ccc2o1 FC(F)(F)[*:1] Cn1nccc1C(=O)OCc1nc2cc(ccc2o1)[*:1]
Cn1nccc1C(=O)OCc1nc2cc(C(F)(F)F)ccc2o1 Cn1nccc1[*:1] O=C(OCc1nc2cc(ccc2o1)C(F)(F)F)[*:1]
COc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1[N+](=O)[O-] Brc1cccc(c1)[*:1] COc1ccc(/C=C2\N=C(OC2=O)[*:1])cc1[N+](=O)[O-]
COc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(/C=C2\N=C(OC2=O)c2cccc(Br)c2)cc1[*:1]
CC[C@](C)(C(=O)[O-])[C@@H]1CCC[C@@H]1O O=C([O-])[*:1] CC[C@](C)([C@@H]1CCC[C@@H]1O)[*:1]
CC(C)c1cc(=O)[nH]c(-c2ccc(C[NH+]3CCS(=O)(=O)CC3)cc2)n1 CC(C)[*:1] O=c1cc(nc([nH]1)-c1ccc(cc1)C[NH+]1CCS(=O)(=O)CC1)[*:1]
CCSC[C@@H](C)N(C)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CCS[*:1] C[C@H](C[*:1])N(C)C(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O
CCSC[C@@H](C)N(C)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CCSC[C@@H](C)[*:1] CN(C(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CCSC[C@@H](C)N(C)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CCSC[*:1] C[C@@H](N(C)C(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CCSC[C@@H](C)N(C)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCSC[C@@H](C)N(C)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
C[C@@H](CCC(C)(C)C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 CC(C)(C)CC[*:1] C[C@@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)[*:1]
C[C@@H](CCC(C)(C)C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 CC(C)(C)[*:1] C[C@@H](CC[*:1])NC(=O)NN[C@]1(C)CCS(=O)(=O)C1
C[C@@H](CCC(C)(C)C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 CC(C)(C)C[*:1] C[C@@H](C[*:1])NC(=O)NN[C@]1(C)CCS(=O)(=O)C1
Cc1nc2cc(NC(=O)c3ccccc3N(C)C(=O)C3CC3)ccc2o1 CN(C(=O)C1CC1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)c1ccccc1[*:1]
Cc1nc2cc(NC(=O)c3ccccc3N(C)C(=O)C3CC3)ccc2o1 C1CC1[*:1] Cc1nc2cc(ccc2o1)NC(=O)c1ccccc1N(C)C(=O)[*:1]
COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(F)c2)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)[C@@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@@H]2[*:1]
COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(F)c2)cc1OC COc1ccc(cc1OC)[*:1] Fc1cccc(c1)[C@@H]1Oc2ccccc2C2N=C3N=CNN3[C@@H](C=21)[*:1]
COCCn1ccc(NC(=O)C(=O)N2CCC[C@H](C)C2)n1 COCC[*:1] C[C@H]1CCCN(C1)C(=O)C(=O)Nc1ccn(n1)[*:1]
COCCn1ccc(NC(=O)C(=O)N2CCC[C@H](C)C2)n1 COC[*:1] C[C@H]1CCCN(C1)C(=O)C(=O)Nc1ccn(C[*:1])n1
COc1ccccc1-c1noc2ncnc(NC3CCCCC3)c12 C1CCC(CC1)N[*:1] COc1ccccc1-c1noc2ncnc(c12)[*:1]
COc1ccccc1-c1noc2ncnc(NC3CCCCC3)c12 C1CCC(CC1)[*:1] COc1ccccc1-c1noc2ncnc(N[*:1])c12
COc1ccccc1-c1noc2ncnc(NC3CCCCC3)c12 COc1ccccc1[*:1] c1nc(NC2CCCCC2)c2c(noc2n1)[*:1]
C[C@H]1C(=O)N(Cc2ccccc2F)C(=O)N1c1ccc(F)cc1 Fc1ccccc1[*:1] C[C@H]1C(=O)N(C[*:1])C(=O)N1c1ccc(F)cc1
C[C@H]1C(=O)N(Cc2ccccc2F)C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]1C(=O)N(Cc2ccccc2F)C(=O)N1[*:1]
O=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N1CCC[C@@H]1c1cccc(F)c1 C1CC1[*:1] O=C(c1cc2nc(cc(C(F)F)n2n1)[*:1])N1CCC[C@@H]1c1cccc(F)c1
O=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N1CCC[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(c1cc2nc(cc(C(F)F)n2n1)C1CC1)N1CCC[C@H]1[*:1]
O=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N1CCC[C@@H]1c1cccc(F)c1 FC(F)[*:1] O=C(c1cc2nc(cc(n2n1)[*:1])C1CC1)N1CCC[C@@H]1c1cccc(F)c1
Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)CC2=O)c(C)c1 Clc1ccc(cc1)C[*:1] Cc1ccc(c(C)c1)N1C[C@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)CC2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)CC2=O)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)N1C[C@H](CC1=O)C(=O)Nc1nnc(C[*:1])s1
COc1ccccc1C(=O)N1CC([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)C1 COc1ccccc1[*:1] O=C1NCN(c2ccccc2)C12CC[NH+](CC2)C1CN(C1)C(=O)[*:1]
COc1ccccc1C(=O)N1CC([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)C1 c1ccc(cc1)[*:1] COc1ccccc1C(=O)N1CC(C1)[NH+]1CCC2(CC1)C(=O)NCN2[*:1]
CC/C(=C\c1ccccc1OCC#N)C[NH3+] N#CC[*:1] CC/C(=C\c1ccccc1O[*:1])C[NH3+]
CC/C(=C\c1ccccc1OCC#N)C[NH3+] N#CCO[*:1] CC/C(=C\c1ccccc1[*:1])C[NH3+]
COc1ccc(N2C(=O)NC(=O)C(/C(=N/CCc3c[nH]c4ccccc34)c3ccc(C)cc3)C2=O)cc1 c1ccc2c(c[nH]c2c1)CC[*:1] COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)C(=N[*:1])c1ccc(C)cc1
COc1ccc(N2C(=O)NC(=O)C(/C(=N/CCc3c[nH]c4ccccc34)c3ccc(C)cc3)C2=O)cc1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)/C(=N/CC[*:1])c1ccc(C)cc1
COc1ccc(N2C(=O)NC(=O)C(/C(=N/CCc3c[nH]c4ccccc34)c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)C(=NCCc1c[nH]c2ccccc12)[*:1]
COc1ccc(N2C(=O)NC(=O)C(/C(=N/CCc3c[nH]c4ccccc34)c3ccc(C)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)/C(=N\CCc1c[nH]c2ccccc12)C1C(=O)NC(=O)N(C1=O)[*:1]
COc1ccc(N2C(=O)NC(=O)C(/C(=N/CCc3c[nH]c4ccccc34)c3ccc(C)cc3)C2=O)cc1 c1ccc2c(c[nH]c2c1)C[*:1] COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)/C(=N/C[*:1])c1ccc(C)cc1
Cc1cc([C@@H](N)C(N)=O)ccc1Br NC(=O)[*:1] Cc1cc(ccc1Br)[C@@H](N)[*:1]
CCn1cc(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)ccc1=O Fc1cccc(F)c1[*:1] CCn1cc(ccc1=O)NC(=O)N[C@@H]1CCN(C1)[*:1]
O=C(Cc1ccccc1)NNC(=O)Nc1ccccc1F c1ccc(cc1)C[*:1] O=C(NNC(=O)[*:1])Nc1ccccc1F
O=C(Cc1ccccc1)NNC(=O)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(C[*:1])NNC(=O)Nc1ccccc1F
O=C(Cc1ccccc1)NNC(=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cc1ccccc1)NNC(=O)N[*:1]
COc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c(C)o1 CC(=O)N[*:1] COc1ccccc1-c1nc(CN2CCN(CC2)S(=O)(=O)c2ccc(cc2)[*:1])c(C)o1
COc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c(C)o1 CC(=O)Nc1ccc(cc1)[*:1] COc1ccccc1-c1nc(CN2CCN(CC2)S(=O)(=O)[*:1])c(C)o1
COc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c(C)o1 COc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1nc(oc1C)[*:1]
COc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)cc1 COc1ccc(cc1)[*:1] c1cnc2nc(c(Nc3ccc4OCOc4c3)n2c1)[*:1]
COc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)-c1nc2ncccn2c1N[*:1]
CN(C)S(=O)(=O)c1ccc(Nc2cccc3ccccc23)nc1 CN(C)S(=O)(=O)[*:1] c1ccc2c(cccc2c1)Nc1ccc(cn1)[*:1]
O=C(NCc1ccc(-n2cccn2)nc1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 c1coc(c1)[*:1] O=C(NCc1ccc(nc1)-n1cccn1)c1cc(nc2c1cnn2C[*:1])-c1cccnc1
O=C(NCc1ccc(-n2cccn2)nc1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 c1cnn(c1)[*:1] O=C(NCc1ccc(nc1)[*:1])c1cc(nc2c1cnn2Cc1ccco1)-c1cccnc1
O=C(NCc1ccc(-n2cccn2)nc1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 c1coc(c1)C[*:1] O=C(NCc1ccc(nc1)-n1cccn1)c1cc(nc2c1cnn2[*:1])-c1cccnc1
O=C(NCc1ccc(-n2cccn2)nc1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 c1cncc(c1)[*:1] O=C(NCc1ccc(nc1)-n1cccn1)c1cc(nc2c1cnn2Cc1ccco1)[*:1]
O=C(NCc1ccc(-n2cccn2)nc1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 c1cnn(c1)-c1ccc(cn1)C[*:1] O=C(N[*:1])c1cc(nc2c1cnn2Cc1ccco1)-c1cccnc1
O=C(NCc1ccc(-n2cccn2)nc1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 c1cnn(c1)-c1ccc(cn1)[*:1] O=C(NC[*:1])c1cc(nc2c1cnn2Cc1ccco1)-c1cccnc1
CC(C)[C@H](S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)NC(N)=O C1CC1[*:1] CC(C)[C@H](S[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1[*:1])C(=O)NC(N)=O
CC(C)[C@H](S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] CC(C)[C@H](S[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1C1CC1)[*:1]
CC(C)[C@H](S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)NC(N)=O CC(C)[*:1] NC(=O)NC(=O)[C@@H](S[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1C1CC1)[*:1]
Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cc(F)ccc1NC(=O)[C@H]1C[C@H]1C CN(C)C(=O)[*:1] Cc1ccc(cc1OC(=O)c1cc(F)ccc1NC(=O)[C@H]1C[C@H]1C)[*:1]
Cc1n[nH]c(C)c1CNC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1n[nH]c(C)c1CNC(=O)c1ccnc(c1)[*:1]
Cc1n[nH]c(C)c1CNC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1n[nH]c(C)c1CNC(=O)c1ccnc(c1)O[*:1]
Cc1n[nH]c(C)c1CNC(=O)c1ccnc(OC(C)(C)C)c1 Cc1n[nH]c(C)c1[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NC[*:1]
c1nn(C[C@@H]2CCCO2)cc1NCc1nc2c(s1)CCC2 C1CO[C@@H](C1)[*:1] c1nn(cc1NCc1nc2CCCc2s1)C[*:1]
c1nn(C[C@@H]2CCCO2)cc1NCc1nc2c(s1)CCC2 C1CO[C@@H](C1)C[*:1] c1nn(cc1NCc1nc2CCCc2s1)[*:1]
CO[C@H](CNC(=O)CCC(=O)N1CCOCC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@H](CNC(=O)CCC(=O)N1CCOCC1)[*:1]
CO[C@H](CNC(=O)CCC(=O)N1CCOCC1)c1cccc(Cl)c1 O=C(N1CCOCC1)[*:1] CO[C@H](CNC(=O)CC[*:1])c1cccc(Cl)c1
Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCC3)c3ccccc23)c(C)c1 O=C(N1CCCC1)[*:1] Cc1ccc(NC(=O)CSc2cn(C[*:1])c3ccccc23)c(C)c1
Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCC3)c3ccccc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CSc1cn(CC(=O)N2CCCC2)c2ccccc12)N[*:1]
Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCC3)c3ccccc23)c(C)c1 O=C(C[*:1])N1CCCC1 Cc1ccc(NC(=O)CSc2cn(c3ccccc23)[*:1])c(C)c1
CCC(CC)N(C)C(=O)Nc1cc(C)ccc1C CCC(CC)[*:1] Cc1ccc(C)c(c1)NC(=O)N(C)[*:1]
Cc1cc(Br)ccc1NC(=O)N(CCO)CCCO OCCC[*:1] Cc1cc(Br)ccc1NC(=O)N(CCO)[*:1]
Cc1cc(Br)ccc1NC(=O)N(CCO)CCCO OCC[*:1] Cc1cc(Br)ccc1NC(=O)N(CCO)C[*:1]
Cc1cc(Br)ccc1NC(=O)N(CCO)CCCO OCC[*:1] Cc1cc(Br)ccc1NC(=O)N(CCCO)[*:1]
Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cn1nc(cc1C(=O)N1CCC(CC1)OC[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] Cn1nc(cc1C(=O)N1CCC(CC1)O[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 CC(C)(C)[*:1] Cn1nc(cc1C(=O)N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] Cn1nc(cc1C(=O)N1CCC(CC1)[*:1])C(C)(C)C
O=C(NCc1ccccn1)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)c(Cl)c1 O=C(NCc1ccccn1)[*:1] O=C(c1ccc(Cl)c(Cl)c1)N1[C@@H](COC12CCCCC2)[*:1]
O=C(NCc1ccccn1)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)c(Cl)c1 c1ccc(C[*:1])nc1 O=C(N[*:1])[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)c(Cl)c1
O=C(NCc1ccccn1)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)c(Cl)c1 c1ccc(nc1)[*:1] O=C(NC[*:1])[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)c(Cl)c1
O=C(NCc1ccccn1)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(NCc1ccccn1)[C@@H]1COC2(CCCCC2)N1C(=O)[*:1]
COc1cc(OC)cc(C(=O)/N=c2\sc3ccc(OC)cc3n2CCSC)c1 CSC[*:1] COc1cc(cc(c1)C(=O)/N=c1\sc2ccc(cc2n1C[*:1])OC)OC
COc1cc(OC)cc(C(=O)/N=c2\sc3ccc(OC)cc3n2CCSC)c1 CSCC[*:1] COc1cc(cc(c1)C(=O)/N=c1\sc2ccc(cc2n1[*:1])OC)OC
O=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=c1sc2cc(ccc2n1C[*:1])S(=O)(=O)N1CCCC1
O=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCC1 O=S(=O)(N1CCCC1)[*:1] O=C(Cn1c(=O)sc2cc(ccc21)[*:1])NC1CCCCC1
O=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cn1c(=O)sc2cc(ccc21)S(=O)(=O)N1CCCC1)N[*:1]
c1ccc([C@@H]2C[NH2+]C[C@H](c3ccco3)O2)cc1 c1coc(c1)[*:1] c1ccc(cc1)[C@@H]1C[NH2+]C[C@H](O1)[*:1]
Cc1cc2cc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)cc(Cl)c2o1 NS(=O)(=O)[*:1] Cc1cc2cc(cc(Cl)c2o1)NC(=O)CCc1ccc(cc1)[*:1]
CNC(=O)NCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CNC(=O)NCC(=O)N[C@H](c1ccccc1)[*:1]
CNC(=O)NCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 CNC(=O)N[*:1] O=C(C[*:1])N[C@H](c1ccccc1)c1ccc(F)cc1
CNC(=O)NCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CNC(=O)NCC(=O)N[C@H](c1ccc(F)cc1)[*:1]
CNC(=O)NCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 CNC(=O)NC[*:1] O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)[*:1]
CN(Cc1nnnn1C1CC1)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1nnnn1C1CC1)S(=O)(=O)[*:1]
CN(Cc1nnnn1C1CC1)S(=O)(=O)c1ccc(F)cc1 C1CC1[*:1] CN(Cc1nnnn1[*:1])S(=O)(=O)c1ccc(F)cc1
CCCCN(C)c1ncnc(Nc2cccc(C(F)(F)F)c2)c1N CCC[*:1] CN(C[*:1])c1ncnc(Nc2cccc(c2)C(F)(F)F)c1N
CCCCN(C)c1ncnc(Nc2cccc(C(F)(F)F)c2)c1N CCCCN(C)[*:1] Nc1c(ncnc1[*:1])Nc1cccc(c1)C(F)(F)F
CCCCN(C)c1ncnc(Nc2cccc(C(F)(F)F)c2)c1N CCCC[*:1] CN(c1ncnc(Nc2cccc(c2)C(F)(F)F)c1N)[*:1]
CCCCN(C)c1ncnc(Nc2cccc(C(F)(F)F)c2)c1N FC(F)(F)[*:1] CCCCN(C)c1ncnc(Nc2cccc(c2)[*:1])c1N
Cc1ccccc1/C=C/C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 Cc1ccccc1C=C[*:1] O=C(Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1)[*:1]
Cc1ccccc1/C=C/C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 Cc1ccccc1[*:1] O=C(C=C[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1
Cc1cc(NC(=O)CCc2nc(CSC3[NH+]=c4ccccc4=[NH+]3)no2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(CCc1nc(CSC2[NH+]=c3ccccc3=[NH+]2)no1)N[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)c1c(O)cccc1O Cc1ccccc1[*:1] C[C@@H](CNC(=O)c1c(O)cccc1O)O[*:1]
Cc1nc([N+](=O)[O-])c(Br)n1CCN1C(=O)c2ccccc2C1=O O=[N+]([O-])[*:1] Cc1nc(c(Br)n1CCN1C(=O)c2ccccc2C1=O)[*:1]
NC(=O)c1ccc(N2CCNC2=O)cc1 NC(=O)[*:1] O=C1NCCN1c1ccc(cc1)[*:1]
CCNC(=O)CN1CCN(C(=O)N[C@@H](CC(C)C)c2cccs2)CC1 CCNC(=O)[*:1] CC(C)C[C@H](NC(=O)N1CCN(CC1)C[*:1])c1cccs1
CCNC(=O)CN1CCN(C(=O)N[C@@H](CC(C)C)c2cccs2)CC1 CCNC(=O)C[*:1] CC(C)C[C@H](NC(=O)N1CCN(CC1)[*:1])c1cccs1
CCNC(=O)CN1CCN(C(=O)N[C@@H](CC(C)C)c2cccs2)CC1 CC(C)C[*:1] CCNC(=O)CN1CCN(CC1)C(=O)N[C@@H](c1cccs1)[*:1]
CCNC(=O)CN1CCN(C(=O)N[C@@H](CC(C)C)c2cccs2)CC1 CC(C)[*:1] CCNC(=O)CN1CCN(CC1)C(=O)N[C@@H](C[*:1])c1cccs1
CCNC(=O)CN1CCN(C(=O)N[C@@H](CC(C)C)c2cccs2)CC1 c1csc(c1)[*:1] CCNC(=O)CN1CCN(CC1)C(=O)N[C@@H](CC(C)C)[*:1]
COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 COC(=O)[*:1] C[C@H]1CN(CC(=O)Nc2c([nH]c3ccccc23)[*:1])C[C@H](C)O1
CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC(C)(C)[NH2+]C2(C)C C1CC1[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2c1CC(C)(C)[NH2+]C2(C)C
CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC(C)(C)[NH2+]C2(C)C O=C(N[*:1])C1CC1 CCOC(=O)c1c(sc2c1CC(C)(C)[NH2+]C2(C)C)[*:1]
CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC(C)(C)[NH2+]C2(C)C CCOC(=O)[*:1] CC1(C)Cc2c(sc(NC(=O)C3CC3)c2[*:1])C(C)(C)[NH2+]1
C[C@@H](Cc1cccs1)NC(=O)N[C@H](C)c1nc2ccccc2[nH]1 c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)N[C@H](C)c1nc2ccccc2[nH]1
C[C@@H](Cc1cccs1)NC(=O)N[C@H](C)c1nc2ccccc2[nH]1 c1csc(c1)C[*:1] C[C@@H](NC(=O)N[C@H](C)c1nc2ccccc2[nH]1)[*:1]
CNC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)C1 Fc1ccccc1[*:1] CNC(=O)N1CCC[C@@H](C1)c1cccc(c1)C(=O)N1CCN(CC1)[*:1]
O=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 C1CCC(CC1)[*:1] O=C(N[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
C=CCNC(=O)c1cc2c(F)cccc2s1 C=CC[*:1] O=C(N[*:1])c1cc2c(F)cccc2s1
CCCN(c1cccc(Cl)c1/C=C/C(=O)[O-])C1CC1 CCC[*:1] O=C([O-])/C=C/c1c(Cl)cccc1N(C1CC1)[*:1]
CCCN(c1cccc(Cl)c1/C=C/C(=O)[O-])C1CC1 C1CC1[*:1] CCCN(c1cccc(Cl)c1/C=C/C(=O)[O-])[*:1]
CCCN(c1cccc(Cl)c1/C=C/C(=O)[O-])C1CC1 O=C([O-])C=C[*:1] CCCN(c1cccc(Cl)c1[*:1])C1CC1
CCCN(c1cccc(Cl)c1/C=C/C(=O)[O-])C1CC1 O=C([O-])[*:1] CCCN(c1cccc(Cl)c1C=C[*:1])C1CC1
COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1cc(Cl)cc(Cl)c1
COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCCCCC1 Clc1cc(Cl)cc(c1)[*:1] COc1ccc(cc1C(=O)N1CCCCCC1)S(=O)(=O)N[*:1]
CC(C)CCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 c1coc(c1)[*:1] CC(C)CCNC(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
CC(C)CCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 CC(C)CC[*:1] Nc1c(C(=O)N[*:1])c2nc3ccccc3nc2n1Cc1ccco1
CC(C)CCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 c1coc(c1)C[*:1] CC(C)CCNC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
CC(C)CCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 CC(C)C[*:1] Nc1c(C(=O)NC[*:1])c2nc3ccccc3nc2n1Cc1ccco1
CC(C)CCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 CC(C)CCNC(=O)[*:1] Nc1c(c2nc3ccccc3nc2n1Cc1ccco1)[*:1]
CC(C)CCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 CC(C)[*:1] Nc1c(C(=O)NCC[*:1])c2nc3ccccc3nc2n1Cc1ccco1
Cc1cc(CNC(=O)CC[C@H](C)O)sc1C C[C@H](O)C[*:1] Cc1cc(CNC(=O)C[*:1])sc1C
Cc1cc(CNC(=O)CC[C@H](C)O)sc1C C[C@H](O)[*:1] Cc1cc(CNC(=O)CC[*:1])sc1C
Cc1cc(CNC(=O)CC[C@H](C)O)sc1C C[C@H](O)CC[*:1] Cc1cc(CNC(=O)[*:1])sc1C
CCCCN1C(=O)[C@H](CC(=O)NCC2CC2)Sc2ncccc21 CCC[*:1] O=C(C[C@@H]1Sc2ncccc2N(C[*:1])C1=O)NCC1CC1
CCCCN1C(=O)[C@H](CC(=O)NCC2CC2)Sc2ncccc21 C1CC1[*:1] CCCCN1C(=O)[C@H](CC(=O)NC[*:1])Sc2ncccc21
CCCCN1C(=O)[C@H](CC(=O)NCC2CC2)Sc2ncccc21 CCCC[*:1] O=C(C[C@@H]1Sc2ncccc2N(C1=O)[*:1])NCC1CC1
CCCCN1C(=O)[C@H](CC(=O)NCC2CC2)Sc2ncccc21 O=C(NCC1CC1)[*:1] CCCCN1C(=O)[C@H](C[*:1])Sc2ncccc21
CCCCN1C(=O)[C@H](CC(=O)NCC2CC2)Sc2ncccc21 C1CC1C[*:1] CCCCN1C(=O)[C@H](CC(=O)N[*:1])Sc2ncccc21
CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1 CNC(=O)[*:1] O=S(=O)(NCc1ccc(cc1)[*:1])c1ccc(F)cc1F
CN(C)c1cccc(CNC(=O)N2CCCCCC2)c1 CN(C)[*:1] O=C(NCc1cccc(c1)[*:1])N1CCCCCC1
Cc1c(C(=O)N(Cc2ccco2)Cc2ccco2)oc2cc(Br)ccc12 c1coc(c1)C[*:1] Cc1c(oc2cc(Br)ccc12)C(=O)N(Cc1ccco1)[*:1]
Cc1c(C(=O)N(Cc2ccco2)Cc2ccco2)oc2cc(Br)ccc12 c1coc(c1)[*:1] Cc1c(oc2cc(Br)ccc12)C(=O)N(Cc1ccco1)C[*:1]
CCN(C[C@@H]1CCOC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] CCN(C[C@@H]1CCOC1)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 C1C[C@H](CO1)[*:1] CCN(C[*:1])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1
CCN(C[C@@H]1CCOC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 C1C[C@H](CO1)C[*:1] CCN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[*:1]
O[C@@H](Cc1ccc(Br)cc1)[C@H]1CCOC2(CCSCC2)C1 Brc1ccc(cc1)[*:1] O[C@@H](C[*:1])[C@H]1CCOC2(CCSCC2)C1
CCC[C@@H](C#N)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O CC(C)[*:1] CCC[C@@H](C#N)NC(=O)[C@@H](N1CCCS1(=O)=O)[*:1]
CCC[C@@H](C#N)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O CCC[*:1] CC(C)[C@H](C(=O)N[C@H](C#N)[*:1])N1CCCS1(=O)=O
CCC[C@@H](C#N)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O CCC[C@@H](C#N)[*:1] CC(C)[C@H](C(=O)N[*:1])N1CCCS1(=O)=O
Cc1cccc(-n2nnnc2SCc2noc(-c3ccoc3)n2)c1 Cc1cccc(c1)[*:1] c1cc(co1)-c1nc(CSc2nnnn2[*:1])no1
Cc1cccc(-n2nnnc2SCc2noc(-c3ccoc3)n2)c1 c1cc(co1)[*:1] Cc1cccc(c1)-n1nnnc1SCc1noc(n1)[*:1]
CCCn1ccnc1C[C@@H]([NH3+])C1CC1 CCC[*:1] [NH3+][C@H](Cc1nccn1[*:1])C1CC1
CCCn1ccnc1C[C@@H]([NH3+])C1CC1 C1CC1[*:1] CCCn1ccnc1C[C@@H]([NH3+])[*:1]
CC[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl CC[C@@H](C)[*:1] Cc1cc(C)c(NC(=O)[*:1])c(Cl)c1
Cc1cc(O[C@@H](C)C(=O)[O-])n(C)n1 O=C([O-])[*:1] Cc1cc(O[C@@H](C)[*:1])n(C)n1
CCC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)C1 CC(C)[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
COc1ccc([C@@H](NC(=O)CSc2ccncc2)c2nccn2C)cc1 Cn1ccnc1[*:1] COc1ccc(cc1)[C@@H](NC(=O)CSc1ccncc1)[*:1]
COc1ccc([C@@H](NC(=O)CSc2ccncc2)c2nccn2C)cc1 c1cc(ccn1)SC[*:1] COc1ccc(cc1)[C@@H](NC(=O)[*:1])c1nccn1C
COc1ccc([C@@H](NC(=O)CSc2ccncc2)c2nccn2C)cc1 COc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)CSc1ccncc1)[*:1]
COc1ccc([C@@H](NC(=O)CSc2ccncc2)c2nccn2C)cc1 c1cc(ccn1)S[*:1] COc1ccc(cc1)[C@@H](NC(=O)C[*:1])c1nccn1C
COc1ccc([C@@H](NC(=O)CSc2ccncc2)c2nccn2C)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)CS[*:1])c1nccn1C
CS(=O)(=O)[C@H]1CCC[C@@H]([C@H]([NH3+])c2cccc(Br)c2)C1 CS(=O)(=O)[*:1] [NH3+][C@H](c1cccc(Br)c1)[C@@H]1CCC[C@@H](C1)[*:1]
C/C=C/Cn1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 CC=C[*:1] Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1C[*:1]
C/C=C/Cn1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 C/C=C/C[*:1] Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1[*:1]
C[NH+]1CCC(NC(=O)NCCCn2cccn2)CC1 c1cnn(c1)[*:1] C[NH+]1CCC(CC1)NC(=O)NCCC[*:1]
C[NH+]1CCC(NC(=O)NCCCn2cccn2)CC1 c1cnn(c1)C[*:1] C[NH+]1CCC(CC1)NC(=O)NCC[*:1]
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(cc1)[*:1]
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(C)(C)C)cc1 O=C([O-])C[*:1] C#CCN(S(=O)(=O)c1ccc(cc1)C(C)(C)C)[*:1]
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(C)(C)C)cc1 O=C([O-])[*:1] C#CCN(C[*:1])S(=O)(=O)c1ccc(cc1)C(C)(C)C
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(C)(C)C)cc1 C#CC[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(=O)[O-])[*:1]
C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)S(C)(=O)=O)[*:1]
COc1ccc(-c2cnc(CSc3nnc4n3CCCCC4)o2)cc1 COc1ccc(cc1)[*:1] c1nc(CSc2nnc3CCCCCn32)oc1[*:1]
O=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(Nc1cccc2CCCCc21)c1ccc(s1)[*:1]
COc1ccccc1-c1nnc(SCC(=O)N(C)Cc2cccs2)n1C c1csc(c1)C[*:1] COc1ccccc1-c1nnc(SCC(=O)N(C)[*:1])n1C
COc1ccccc1-c1nnc(SCC(=O)N(C)Cc2cccs2)n1C c1csc(c1)[*:1] COc1ccccc1-c1nnc(SCC(=O)N(C)C[*:1])n1C
COc1ccccc1-c1nnc(SCC(=O)N(C)Cc2cccs2)n1C COc1ccccc1[*:1] CN(Cc1cccs1)C(=O)CSc1nnc(n1C)[*:1]
O=C(NCc1cccs1)c1ccc2noc(-c3ccccc3)c2c1 c1csc(c1)[*:1] O=C(NC[*:1])c1ccc2noc(-c3ccccc3)c2c1
O=C(NCc1cccs1)c1ccc2noc(-c3ccccc3)c2c1 c1csc(c1)C[*:1] O=C(N[*:1])c1ccc2noc(-c3ccccc3)c2c1
O=C(NCc1cccs1)c1ccc2noc(-c3ccccc3)c2c1 c1ccc(cc1)[*:1] O=C(NCc1cccs1)c1ccc2noc(c2c1)[*:1]
O=C(NCCCNC(=O)c1cc2c(s1)SCC2)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCCCNC(=O)[*:1])c1cc2CCSc2s1
O=C1CCCCN1CN(C1CC1)[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C1CCCCN1CN([C@H]1CCS(=O)(=O)C1)[*:1]
CC(C)[C@H](C(=O)N1CCC[C@@H](n2cncn2)C1)N1CCCC1=O O=C1CCCN1[*:1] CC(C)[C@H](C(=O)N1CCC[C@H](C1)n1cncn1)[*:1]
CC(C)[C@H](C(=O)N1CCC[C@@H](n2cncn2)C1)N1CCCC1=O CC(C)[*:1] O=C([C@H](N1CCCC1=O)[*:1])N1CCC[C@H](C1)n1cncn1
CC(C)[C@H](C(=O)N1CCC[C@@H](n2cncn2)C1)N1CCCC1=O c1ncn(n1)[*:1] CC(C)[C@H](C(=O)N1CCC[C@@H](C1)[*:1])N1CCCC1=O
C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)[C@H]1CCCO1 N#Cc1cccnc1[*:1] C[C@@H](NC(=O)N1CCN(CC1)[*:1])[C@H]1CCCO1
C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ncccc1C#N)[*:1]
Cc1cccc(=O)n1C[C@H](CS)C(C)C CC(C)[*:1] Cc1cccc(=O)n1C[C@H](CS)[*:1]
O=C([O-])[C@H]1CCCCN1C(=O)CCc1cccnc1 O=C([O-])[*:1] O=C(CCc1cccnc1)N1CCCC[C@@H]1[*:1]
O=C([O-])[C@H]1CCCCN1C(=O)CCc1cccnc1 c1cncc(c1)[*:1] O=C([O-])[C@H]1CCCCN1C(=O)CC[*:1]
Cc1cc(C2=NN=C(NCc3ccc(F)cc3)SC2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C2CSC(=NN=2)NCc2ccc(F)cc2)c(C)n1[*:1]
Cc1cc(C2=NN=C(NCc3ccc(F)cc3)SC2)c(C)n1C1CC1 Fc1ccc(cc1)[*:1] Cc1cc(C2CSC(=NN=2)NC[*:1])c(C)n1C1CC1
Cc1cc(C2=NN=C(NCc3ccc(F)cc3)SC2)c(C)n1C1CC1 Fc1ccc(cc1)C[*:1] Cc1cc(C2CSC(=NN=2)N[*:1])c(C)n1C1CC1
CCCc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 CCC[*:1] O=C(N/N=C/c1ccc(cc1)[N+](=O)[O-])c1cc(nc2ccccc12)[*:1]
CCCc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 O=[N+]([O-])[*:1] CCCc1cc(C(=O)N/N=C/c2ccc(cc2)[*:1])c2ccccc2n1
CCCc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 O=[N+]([O-])c1ccc(cc1)[*:1] CCCc1cc(C(=O)NN=C[*:1])c2ccccc2n1
COc1ccc(-c2cc(C(=O)N3CCC3)c3ccccc3n2)cc1OC O=C(N1CCC1)[*:1] COc1ccc(cc1OC)-c1cc(c2ccccc2n1)[*:1]
Cc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(CC1)C[*:1]
Cc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 Cc1ccccc1[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)Cc1ccccc1)[*:1]
Cc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(CC1)[*:1]
C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2sccc2OC(F)F)CC1 FC(F)Oc1ccsc1[*:1] C[NH+](Cc1cccc(c1)C(F)(F)F)C1CCN(CC1)C(=O)[*:1]
C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2sccc2OC(F)F)CC1 FC(F)(F)[*:1] C[NH+](Cc1cccc(c1)[*:1])C1CCN(CC1)C(=O)c1sccc1OC(F)F
C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2sccc2OC(F)F)CC1 FC(F)(F)c1cccc(c1)[*:1] C[NH+](C[*:1])C1CCN(CC1)C(=O)c1sccc1OC(F)F
C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2sccc2OC(F)F)CC1 FC(F)[*:1] C[NH+](Cc1cccc(c1)C(F)(F)F)C1CCN(CC1)C(=O)c1sccc1O[*:1]
C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2sccc2OC(F)F)CC1 FC(F)O[*:1] C[NH+](Cc1cccc(c1)C(F)(F)F)C1CCN(CC1)C(=O)c1sccc1[*:1]
Cc1nc2ccc(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)cc2nc1C c1ccc(cc1)C[*:1] Cc1nc2ccc(cc2nc1C)C(=O)N1CCO[C@@H](C1)[*:1]
Cc1nc2ccc(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)cc2nc1C c1ccc(cc1)[*:1] Cc1nc2ccc(cc2nc1C)C(=O)N1CCO[C@H](C1)C[*:1]
Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 c1ccc(cc1)[*:1] Nc1ncc(-c2cccc(F)c2)c(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 Fc1cccc(c1)[*:1] Nc1ncc(c(n1)[C@@H]1CCCN(C1)C(=O)c1ccccc1)[*:1]
CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)o3)CC2)cc1 CC(C)C[*:1] N#Cc1ccc(C[NH+]2CCC(CC2)C(=O)c2ccc(cc2)[*:1])o1
CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)o3)CC2)cc1 N#Cc1ccc(o1)[*:1] CC(C)Cc1ccc(cc1)C(=O)C1CC[NH+](CC1)C[*:1]
CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)o3)CC2)cc1 CC(C)[*:1] N#Cc1ccc(C[NH+]2CCC(CC2)C(=O)c2ccc(cc2)C[*:1])o1
COCCOc1ncccc1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 COC[*:1] O=C(Nc1cccnc1OC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
COCCOc1ncccc1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 COCC[*:1] O=C(Nc1cccnc1O[*:1])NC1CCC(CC1)[NH+]1CCCCC1
COCCOc1ncccc1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 COCCO[*:1] O=C(Nc1cccnc1[*:1])NC1CCC(CC1)[NH+]1CCCCC1
Cc1csc(-c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)cn2)n1 Cc1csc(n1)[*:1] O=C(Cn1cnc(c1)[*:1])Nc1ccc2OCCOc2c1
C[C@H]1Cc2ccc(-c3cc(CNC(=O)c4ccc(F)cc4Cl)no3)cc2O1 Fc1ccc(c(Cl)c1)[*:1] C[C@H]1Cc2ccc(cc2O1)-c1cc(CNC(=O)[*:1])no1
O=C(CC[C@H]1CCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 O[C@@H](c1ccccc1)[*:1] O=C(CC[C@H]1CCCO1)N1CCN(CC1)C[*:1]
O=C(CC[C@H]1CCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CC[C@H]1CCCO1)N1CCN(CC1)C[C@@H](O)[*:1]
O=C(CC[C@H]1CCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 C1CO[C@H](C1)C[*:1] O=C(C[*:1])N1CCN(CC1)C[C@@H](O)c1ccccc1
O=C(CC[C@H]1CCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 C1CO[C@H](C1)[*:1] O=C(CC[*:1])N1CCN(CC1)C[C@@H](O)c1ccccc1
O=C(CC[C@H]1CCCO1)N1CCN(C[C@@H](O)c2ccccc2)CC1 C1CO[C@H](C1)CC[*:1] O=C(N1CCN(CC1)C[C@@H](O)c1ccccc1)[*:1]
C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 c1ccc2c(n[nH]c2c1)[*:1] C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(CC1)C(=O)[*:1]
C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 O=c1[nH]c2ccc(cc2[nH]1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1n[nH]c2ccccc12
CCOc1cccc(C(=N)NC(=O)c2ccccc2OC(C)C)c1 CCO[*:1] CC(C)Oc1ccccc1C(=O)NC(=N)c1cccc(c1)[*:1]
CCOc1cccc(C(=N)NC(=O)c2ccccc2OC(C)C)c1 CC(C)[*:1] CCOc1cccc(c1)C(=N)NC(=O)c1ccccc1O[*:1]
CCOc1cccc(C(=N)NC(=O)c2ccccc2OC(C)C)c1 CC(C)O[*:1] CCOc1cccc(c1)C(=N)NC(=O)c1ccccc1[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)NCc2ccc(COc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCc1ccc(cc1)CO[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)NCc2ccc(COc3ccccc3)cc2)C1 c1ccc(cc1)OC[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCc1ccc(cc1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)NCc2ccc(COc3ccccc3)cc2)C1 c1ccc(cc1)O[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCc1ccc(cc1)C[*:1]
COc1ccc([C@@H](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@@H](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[*:1]
COc1ccc([C@@H](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)NC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[*:1]
N#Cc1cccnc1NCC[S@](=O)c1ccccc1 c1ccc(cc1)[*:1] N#Cc1cccnc1NCC[S@](=O)[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)Nc1nnc(s1)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)Nc1nnc(C[*:1])s1)-c1ccccc1
Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)Nc1nnc(Cc2ccccc2)s1)[*:1]
Nn1c(SCC(=O)Nc2ccccn2)nnc1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1ccccn1
Nn1c(SCC(=O)Nc2ccccn2)nnc1-c1ccc(Br)cc1 c1ccc(nc1)[*:1] Nn1c(nnc1-c1ccc(Br)cc1)SCC(=O)N[*:1]
CCN(C(=O)c1csc(C)n1)[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CCN(C(=O)c1csc(C)n1)[*:1]
CCN(C(=O)c1csc(C)n1)[C@H](C)C(C)C CC(C)[*:1] CCN(C(=O)c1csc(C)n1)[C@H](C)[*:1]
C[C@H]([NH2+]CCn1cc(Cl)c(=O)[nH]c1=O)c1cccs1 c1csc(c1)[*:1] C[C@H]([NH2+]CCn1cc(Cl)c(=O)[nH]c1=O)[*:1]
CC(C)C[NH2+]Cc1sc(N2CCCSCC2)nc1C(C)C CC(C)[*:1] CC(C)C[NH2+]Cc1sc(nc1[*:1])N1CCCSCC1
CC(C)C[NH2+]Cc1sc(N2CCCSCC2)nc1C(C)C CC(C)[*:1] CC(C)c1nc(sc1C[NH2+]C[*:1])N1CCCSCC1
CC(C)C[NH2+]Cc1sc(N2CCCSCC2)nc1C(C)C C1CSCCN(C1)[*:1] CC(C)C[NH2+]Cc1sc(nc1C(C)C)[*:1]
CC(C)C[NH2+]Cc1sc(N2CCCSCC2)nc1C(C)C CC(C)C[*:1] CC(C)c1nc(sc1C[NH2+][*:1])N1CCCSCC1
Cc1nc(C)c(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)o1 Cc1nc(C)c(o1)[*:1] O=C1CC[C@H]2CN(CC[C@H]2N1CCCCO)C(=O)[*:1]
Cc1nc(C)c(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)o1 OCCCC[*:1] Cc1nc(C)c(o1)C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2[*:1])C1
Cc1nc(C)c(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)o1 OCC[*:1] Cc1nc(C)c(o1)C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC[*:1])C1
Cc1nc(C)c(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)o1 OCCC[*:1] Cc1nc(C)c(o1)C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C[*:1])C1
CNC(=O)Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)c1ccccc1[*:1]
CNC(=O)Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 CNC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1C(F)(F)F
CNC(=O)Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccccc1C(F)(F)F
O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NC1CC1 O=C(NC1CC1)[*:1] O=c1c2cccn2c2ccc(Br)cc2n1CCC[*:1]
O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NC1CC1 O=C(C[*:1])NC1CC1 O=c1c2cccn2c2ccc(Br)cc2n1CC[*:1]
O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NC1CC1 O=C(CC[*:1])NC1CC1 O=c1c2cccn2c2ccc(Br)cc2n1C[*:1]
O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NC1CC1 C1CC1[*:1] O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)N[*:1]
O=C([O-])CSc1nc2cccnc2n1CC(F)(F)F O=C([O-])C[*:1] FC(F)(F)Cn1c(nc2cccnc21)S[*:1]
O=C([O-])CSc1nc2cccnc2n1CC(F)(F)F O=C([O-])[*:1] FC(F)(F)Cn1c(nc2cccnc21)SC[*:1]
O=C([O-])CSc1nc2cccnc2n1CC(F)(F)F O=C([O-])CS[*:1] FC(F)(F)Cn1c(nc2cccnc21)[*:1]
O=C([O-])CSc1nc2cccnc2n1CC(F)(F)F FC(F)(F)[*:1] O=C([O-])CSc1nc2cccnc2n1C[*:1]
O=C([O-])CSc1nc2cccnc2n1CC(F)(F)F FC(F)(F)C[*:1] O=C([O-])CSc1nc2cccnc2n1[*:1]
CN(Cc1ccc(F)cc1F)C(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] CN(Cc1ccc(F)cc1F)C(=O)c1n[nH]c(n1)[*:1]
CNc1cc([C@@H]2CCCN(C(=O)Cc3ccc(OC)c(C)c3)C2)nc(-c2ccncc2)n1 COc1ccc(cc1C)[*:1] CNc1cc(nc(n1)-c1ccncc1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CNc1cc([C@@H]2CCCN(C(=O)Cc3ccc(OC)c(C)c3)C2)nc(-c2ccncc2)n1 COc1ccc(cc1C)C[*:1] CNc1cc(nc(n1)-c1ccncc1)[C@@H]1CCCN(C1)C(=O)[*:1]
CNc1cc([C@@H]2CCCN(C(=O)Cc3ccc(OC)c(C)c3)C2)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CNc1cc(nc(n1)[*:1])[C@@H]1CCCN(C1)C(=O)Cc1ccc(OC)c(C)c1
COC(C)(C)CNC(=O)CCSc1ccc(F)cc1 COC(C)(C)C[*:1] O=C(CCSc1ccc(F)cc1)N[*:1]
COC(C)(C)CNC(=O)CCSc1ccc(F)cc1 COC(C)(C)[*:1] O=C(CCSc1ccc(F)cc1)NC[*:1]
Cc1cccc(N2CCN([C@@H](c3cccs3)c3nnnn3C(C)(C)C)CC2)c1C c1csc(c1)[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@@H](c1nnnn1C(C)(C)C)[*:1]
Cc1cccc(N2CCN([C@@H](c3cccs3)c3nnnn3C(C)(C)C)CC2)c1C Cc1cccc(c1C)[*:1] CC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN([C@@H](c3cccs3)c3nnnn3C(C)(C)C)CC2)c1C CC(C)(C)[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@@H](c1cccs1)c1nnnn1[*:1]
Cc1cccc(N2CCN([C@@H](c3cccs3)c3nnnn3C(C)(C)C)CC2)c1C CC(C)(C)n1nnnc1[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@@H](c1cccs1)[*:1]
C[C@H]1CN(C(=O)[C@@H](C)NC(N)=O)C[C@@H](c2ccccc2)O1 C[C@@H](NC(N)=O)[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)[*:1]
C[C@H]1CN(C(=O)[C@@H](C)NC(N)=O)C[C@@H](c2ccccc2)O1 NC(=O)N[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)[C@@H](C)[*:1]
C[C@H]1CN(C(=O)[C@@H](C)NC(N)=O)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](O1)[*:1])C(=O)[C@@H](C)NC(N)=O
CNC(=O)c1cn2cc(-c3ccccc3Cl)n(CC=C(C)C)c(=O)c2n1 Clc1ccccc1[*:1] CNC(=O)c1cn2cc(n(CC=C(C)C)c(=O)c2n1)[*:1]
CNC(=O)c1cn2cc(-c3ccccc3Cl)n(CC=C(C)C)c(=O)c2n1 CNC(=O)[*:1] CC(C)=CCn1c(cn2cc(nc2c1=O)[*:1])-c1ccccc1Cl
CNC(=O)c1cn2cc(-c3ccccc3Cl)n(CC=C(C)C)c(=O)c2n1 CC(C)=C[*:1] CNC(=O)c1cn2cc(-c3ccccc3Cl)n(C[*:1])c(=O)c2n1
CNC(=O)c1cn2cc(-c3ccccc3Cl)n(CC=C(C)C)c(=O)c2n1 CC(C)=CC[*:1] CNC(=O)c1cn2cc(-c3ccccc3Cl)n(c(=O)c2n1)[*:1]
CS[C@H]1CC[C@H](NC(=O)CSCC(F)(F)F)C1 FC(F)(F)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)CSC[*:1]
CS[C@H]1CC[C@H](NC(=O)CSCC(F)(F)F)C1 FC(F)(F)C[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)CS[*:1]
COc1ccc(COC[C@@H](O)Cn2cnc3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c2ccccc2ncn1C[C@H](O)COC[*:1]
N#C[C@H](Nc1cccc(F)c1)c1ccccc1C1CC1 C1CC1[*:1] N#C[C@H](Nc1cccc(F)c1)c1ccccc1[*:1]
CN(CCC(F)(F)F)c1nc(Cl)ncc1Cl FC(F)(F)[*:1] CN(CC[*:1])c1nc(Cl)ncc1Cl
CN(CCC(F)(F)F)c1nc(Cl)ncc1Cl FC(F)(F)C[*:1] CN(C[*:1])c1nc(Cl)ncc1Cl
COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC(O)(C(F)(F)F)CC1)C2 FC(F)(F)[*:1] COc1ccc2C[C@@H](COc2c1)C(=O)N1CCC(O)(CC1)[*:1]
Cc1c(CN(CC2CC2)[C@@H](C)c2ccccc2)c(=O)n(-c2ccccc2)n1C C1CC1[*:1] Cc1c(CN(C[*:1])[C@@H](C)c2ccccc2)c(=O)n(-c2ccccc2)n1C
Cc1c(CN(CC2CC2)[C@@H](C)c2ccccc2)c(=O)n(-c2ccccc2)n1C C[C@@H](c1ccccc1)[*:1] Cc1c(CN(CC2CC2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(CN(CC2CC2)[C@@H](C)c2ccccc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(CN(CC2CC2)[C@@H](C)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(CN(CC2CC2)[C@@H](C)c2ccccc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(CN(CC2CC2)[C@@H](C)c2ccccc2)c(=O)n(n1C)[*:1]
Cc1c(CN(CC2CC2)[C@@H](C)c2ccccc2)c(=O)n(-c2ccccc2)n1C C1CC1C[*:1] Cc1c(CN([C@@H](C)c2ccccc2)[*:1])c(=O)n(-c2ccccc2)n1C
COc1ccc2c(-c3ccccc3)c(C(=O)Nc3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)oc2c1 c1ccc(cc1)[*:1] COc1ccc2c(c(oc2c1)C(=O)Nc1nc(cs1)CN1C[C@H](C)O[C@@H](C)C1)[*:1]
CCCc1noc(CCC(=O)Nc2ccc(-n3ccnc3)nc2)n1 CCCc1noc(n1)[*:1] O=C(CC[*:1])Nc1ccc(nc1)-n1ccnc1
CCCc1noc(CCC(=O)Nc2ccc(-n3ccnc3)nc2)n1 CCC[*:1] O=C(CCc1nc(no1)[*:1])Nc1ccc(nc1)-n1ccnc1
CCCc1noc(CCC(=O)Nc2ccc(-n3ccnc3)nc2)n1 c1cn(cn1)[*:1] CCCc1noc(CCC(=O)Nc2ccc(nc2)[*:1])n1
CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1 CC(=O)N[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCc2ccccc21)[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)[*:1] C[C@@H](CC(=O)N[*:1])NC(=O)C(=O)Nc1ccc(F)c(Cl)c1
CC(C)NC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)NC(=O)C[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)NC(=O)[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc(F)c(Cl)c1
COc1cc(F)ccc1N1CCN(C(=O)c2ccccc2C(C)=O)CC1 CC(=O)[*:1] COc1cc(F)ccc1N1CCN(CC1)C(=O)c1ccccc1[*:1]
CC(C)SCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 CC(C)S[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)C[*:1])CN1CCc1c[nH]c[nH+]1
CC(C)SCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 CC(C)SC[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)[*:1])CN1CCc1c[nH]c[nH+]1
CC(C)SCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 CC(C)[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)CS[*:1])CN1CCc1c[nH]c[nH+]1
CNC(=O)/C=C(\c1ccccc1)c1cccc2[nH]nc(OC)c12 c1ccc(cc1)[*:1] CNC(=O)/C=C(/c1cccc2[nH]nc(OC)c12)[*:1]
CNC(=O)/C=C(\c1ccccc1)c1cccc2[nH]nc(OC)c12 CNC(=O)[*:1] COc1n[nH]c2cccc(C(=C[*:1])c3ccccc3)c12
CNC(=O)CC1CCN(C(=O)c2c(C)nc(C3CC3)nc2SC)CC1 CNC(=O)[*:1] CSc1nc(nc(C)c1C(=O)N1CCC(CC1)C[*:1])C1CC1
CNC(=O)CC1CCN(C(=O)c2c(C)nc(C3CC3)nc2SC)CC1 C1CC1[*:1] CNC(=O)CC1CCN(CC1)C(=O)c1c(C)nc(nc1SC)[*:1]
CNC(=O)CC1CCN(C(=O)c2c(C)nc(C3CC3)nc2SC)CC1 CNC(=O)C[*:1] CSc1nc(nc(C)c1C(=O)N1CCC(CC1)[*:1])C1CC1
CO[C@H]1CCC[C@@H](OC(=O)CN(C)C(=O)c2cccs2)C1 c1csc(c1)[*:1] CO[C@H]1CCC[C@H](C1)OC(=O)CN(C)C(=O)[*:1]
O=C(CSCc1ccncc1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSCc1ccncc1)NC(c1ccccc1)[*:1]
O=C(CSCc1ccncc1)NC(c1ccccc1)c1ccccc1 c1cc(ccn1)[*:1] O=C(CSC[*:1])NC(c1ccccc1)c1ccccc1
O=C(CSCc1ccncc1)NC(c1ccccc1)c1ccccc1 c1cc(ccn1)CS[*:1] O=C(C[*:1])NC(c1ccccc1)c1ccccc1
O=C(CSCc1ccncc1)NC(c1ccccc1)c1ccccc1 c1cc(ccn1)C[*:1] O=C(CS[*:1])NC(c1ccccc1)c1ccccc1
COc1ccc(C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C[NH2+][C@@H](c1ccc(cc1)OC)[*:1]
O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1cnc(N/N=C/c2ccccc2Cl)s1 Clc1ccccc1[*:1] O=c1oc2ccc(cc2cc1-c1cnc(NN=C[*:1])s1)[N+](=O)[O-]
O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1cnc(N/N=C/c2ccccc2Cl)s1 O=[N+]([O-])[*:1] O=c1oc2ccc(cc2cc1-c1cnc(N/N=C/c2ccccc2Cl)s1)[*:1]
C[C@@H](Cl)c1nc2cccnc2n1[C@H](C)c1ccco1 C[C@@H](Cl)[*:1] C[C@H](c1ccco1)n1c(nc2cccnc21)[*:1]
C[C@@H](Cl)c1nc2cccnc2n1[C@H](C)c1ccco1 c1coc(c1)[*:1] C[C@@H](Cl)c1nc2cccnc2n1[C@H](C)[*:1]
COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(Br)cc2)c1N Brc1ccc(cc1)N[*:1] COc1ccccc1C(=O)NNc1ncnc(c1N)[*:1]
COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(Br)cc2)c1N Brc1ccc(cc1)[*:1] COc1ccccc1C(=O)NNc1ncnc(N[*:1])c1N
COc1ccccc1C(=O)NNc1ncnc(Nc2ccc(Br)cc2)c1N COc1ccccc1[*:1] Nc1c(ncnc1Nc1ccc(Br)cc1)NNC(=O)[*:1]
COCCO[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cn1 COCC[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cn1)-c1nc2ccccc2s1
COCCO[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cn1 COC[*:1] C[C@H](OC[*:1])C(=O)Nc1ccc(cn1)-c1nc2ccccc2s1
COCCO[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cn1 COCCO[*:1] C[C@@H](C(=O)Nc1ccc(cn1)-c1nc2ccccc2s1)[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)CCNC(=O)c1ccco1 Clc1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCNC(=O)c1ccco1
CN(Cc1ccc(Cl)cc1)C(=O)CCNC(=O)c1ccco1 c1coc(c1)[*:1] CN(Cc1ccc(Cl)cc1)C(=O)CCNC(=O)[*:1]
N#Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3N3CCCN23)cc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(cc1)[C@H]1[C@@H]2C(=O)N(C(=O)[C@H]2N2CCCN12)[*:1]
N#Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3N3CCCN23)cc1 N#Cc1ccc(cc1)[*:1] O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)N1CCCN1[C@H]2[*:1]
CCn1nccc1CNC(=O)Cn1cc2c(n1)c(C)nn2C(C)C CC(C)[*:1] CCn1nccc1CNC(=O)Cn1cc2c(n1)c(C)nn2[*:1]
CCn1nccc1CNC(=O)Cn1cc2c(n1)c(C)nn2C(C)C CCn1nccc1C[*:1] Cc1nn(c2cn(CC(=O)N[*:1])nc12)C(C)C
CCn1nccc1CNC(=O)Cn1cc2c(n1)c(C)nn2C(C)C CCn1nccc1[*:1] Cc1nn(c2cn(CC(=O)NC[*:1])nc12)C(C)C
COc1ccccc1[C@H]1[C@@H]2[C@@H](C)N=N[C@H]2C(=O)N1CCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] COc1ccccc1[C@H]1[C@@H]2[C@@H](C)N=N[C@H]2C(=O)N1CC[*:1]
COc1ccccc1[C@H]1[C@@H]2[C@@H](C)N=N[C@H]2C(=O)N1CCc1c[nH]c2ccccc12 COc1ccccc1[*:1] C[C@H]1N=N[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)[C@H]([C@H]12)[*:1]
CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc3cccc(c23)C1=O O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)N[*:1])N1C(=O)c2cccc3cccc(C1=O)c23
CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc3cccc(c23)C1=O CC(C)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])[C@@H](N1C(=O)c2cccc3cccc(C1=O)c23)[*:1]
CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc3cccc(c23)C1=O O=[N+]([O-])[*:1] CC(C)[C@@H](C(=O)Nc1ccc(cc1)[*:1])N1C(=O)c2cccc3cccc(C1=O)c23
CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1 CC[C@H](C)[*:1] O=C(N[C@@H](C(=O)N1CCOCC1)[*:1])c1ccc(Cl)cc1
CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1 Clc1ccc(cc1)[*:1] CC[C@H](C)[C@@H](NC(=O)[*:1])C(=O)N1CCOCC1
CC(C)(C)CC(C)(C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 CC(C)(C)[*:1] CC(C)(C[*:1])[NH2+][C@H]1CCC[C@H]([NH3+])C1
CC(C)(C)CC(C)(C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 CC(C)(C)C[*:1] CC(C)([NH2+][C@H]1CCC[C@H]([NH3+])C1)[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)NCC1(C)CCCC1 c1csc(c1)C[*:1] C[NH+](C)CCN(C(=O)NCC1(C)CCCC1)[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)NCC1(C)CCCC1 c1csc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)NCC1(C)CCCC1
C[NH+](C)CCN(Cc1cccs1)C(=O)NCC1(C)CCCC1 CC1(CCCC1)C[*:1] C[NH+](C)CCN(Cc1cccs1)C(=O)N[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)NCC1(C)CCCC1 CC1(CCCC1)[*:1] C[NH+](C)CCN(Cc1cccs1)C(=O)NC[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])N1CCC[C@@H]1[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(C=C[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
O=C(NNc1cnccn1)c1c[nH]nc1-c1ccccc1F Fc1ccccc1[*:1] O=C(NNc1cnccn1)c1c[nH]nc1[*:1]
O=C(NNc1cnccn1)c1c[nH]nc1-c1ccccc1F c1cnc(cn1)[*:1] O=C(NN[*:1])c1c[nH]nc1-c1ccccc1F
Cc1nsnc1CSCC(=O)Nc1ccc(C#N)cc1 Cc1nsnc1[*:1] N#Cc1ccc(cc1)NC(=O)CSC[*:1]
CCCOc1cc(S(=O)(=O)NC(C)C)ccc1Cl CC(C)[*:1] CCCOc1cc(ccc1Cl)S(=O)(=O)N[*:1]
CCCOc1cc(S(=O)(=O)NC(C)C)ccc1Cl CCCO[*:1] CC(C)NS(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CCCOc1cc(S(=O)(=O)NC(C)C)ccc1Cl CCC[*:1] CC(C)NS(=O)(=O)c1ccc(Cl)c(c1)O[*:1]
COc1ccccc1N1C[C@H](C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1=O Fc1cccc(c1)[*:1] COc1ccccc1N1C[C@@H](CC1=O)C(=O)NC[C@@H]([NH+](C)C)[*:1]
COc1ccccc1N1C[C@H](C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1=O COc1ccccc1[*:1] C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1cccc(F)c1
CC[NH2+][C@H](C)c1ccnc(SCCOC)c1 COCC[*:1] CC[NH2+][C@H](C)c1ccnc(c1)S[*:1]
CC[NH2+][C@H](C)c1ccnc(SCCOC)c1 COC[*:1] CC[NH2+][C@H](C)c1ccnc(c1)SC[*:1]
CC[NH2+][C@H](C)c1ccnc(SCCOC)c1 COCCS[*:1] CC[NH2+][C@H](C)c1ccnc(c1)[*:1]
Fc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ncnn21 c1ccc(cc1)[*:1] Fc1ccccc1[C@H]1CC(=Nc2ncnn21)[*:1]
Fc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ncnn21 Fc1ccccc1[*:1] c1ccc(cc1)C1C[C@@H](n2ncnc2N=1)[*:1]
CN(C)c1ccc(-c2noc(C(=O)NCCc3c[nH]c4ccccc34)n2)cc1 CN(C)c1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccccc12)c1nc(no1)[*:1]
CN(C)c1ccc(-c2noc(C(=O)NCCc3c[nH]c4ccccc34)n2)cc1 c1ccc2c(c[nH]c2c1)[*:1] CN(C)c1ccc(cc1)-c1noc(n1)C(=O)NCC[*:1]
CN(C)c1ccc(-c2noc(C(=O)NCCc3c[nH]c4ccccc34)n2)cc1 CN(C)[*:1] O=C(NCCc1c[nH]c2ccccc12)c1nc(no1)-c1ccc(cc1)[*:1]
O=S(=O)(/N=C(\[O-])[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1[*:1])c1ccc(F)cc1
O=S(=O)(/N=C(\[O-])[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@H]1c1ccc(F)cc1)[*:1]
Cc1cc(C)c(NCC(=O)Nc2cccc(OCC(C)C)c2)c(C)c1 CC(C)C[*:1] Cc1cc(C)c(NCC(=O)Nc2cccc(c2)O[*:1])c(C)c1
Cc1cc(C)c(NCC(=O)Nc2cccc(OCC(C)C)c2)c(C)c1 CC(C)CO[*:1] Cc1cc(C)c(NCC(=O)Nc2cccc(c2)[*:1])c(C)c1
Cc1cc(C)c(NCC(=O)Nc2cccc(OCC(C)C)c2)c(C)c1 CC(C)[*:1] Cc1cc(C)c(NCC(=O)Nc2cccc(c2)OC[*:1])c(C)c1
CCCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1cccc(O)c1 CCC[*:1] Cc1cc(O)c(cc1Cl)-c1n[nH]c2C(=O)N(C[*:1])[C@H](c3cccc(O)c3)c12
CCCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1cccc(O)c1 Oc1cccc(c1)[*:1] CCCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@@H]1[*:1]
CCCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1cccc(O)c1 CCCC[*:1] Cc1cc(O)c(cc1Cl)-c1n[nH]c2C(=O)N([C@H](c3cccc(O)c3)c12)[*:1]
CCCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1cccc(O)c1 Cc1cc(O)c(cc1Cl)[*:1] CCCCN1C(=O)c2[nH]nc(c2[C@H]1c1cccc(O)c1)[*:1]
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)[C@@H](C[*:1])NS(=O)(=O)c1cccs1
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[*:1]
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)[*:1]
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1C O=S(=O)(N[*:1])c1cccs1 Cc1ccc(cc1C)NC(=O)[C@@H](Cc1ccccc1)[*:1]
CC(C)Oc1ccc(CNS(=O)(=O)c2cn(C)cn2)c(C(F)(F)F)c1 CC(C)O[*:1] Cn1cnc(c1)S(=O)(=O)NCc1ccc(cc1C(F)(F)F)[*:1]
CC(C)Oc1ccc(CNS(=O)(=O)c2cn(C)cn2)c(C(F)(F)F)c1 CC(C)[*:1] Cn1cnc(c1)S(=O)(=O)NCc1ccc(cc1C(F)(F)F)O[*:1]
CC(C)Oc1ccc(CNS(=O)(=O)c2cn(C)cn2)c(C(F)(F)F)c1 Cn1cnc(c1)[*:1] CC(C)Oc1ccc(CNS(=O)(=O)[*:1])c(c1)C(F)(F)F
CC(C)Oc1ccc(CNS(=O)(=O)c2cn(C)cn2)c(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)Oc1ccc(CNS(=O)(=O)c2cn(C)cn2)c(c1)[*:1]
C[C@H]1CCC[C@@H]1NC(=O)c1c[nH]nc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@@H]1NC(=O)c1c[nH]nc1[*:1]
C[C@H]1CCC[C@@H]1NC(=O)c1c[nH]nc1-c1ccccc1 C[C@H]1CCC[C@H]1[*:1] O=C(N[*:1])c1c[nH]nc1-c1ccccc1
C[C@H]1COc2ccccc2N1C(=O)[C@H](C)c1ccsc1 c1cc(cs1)[*:1] C[C@H]1COc2ccccc2N1C(=O)[C@H](C)[*:1]
CCc1ccccc1Oc1ccccc1C(N)=S NC(=S)[*:1] CCc1ccccc1Oc1ccccc1[*:1]
CN(Cc1nccs1)C(=O)Cn1c(C2CCCCC2)nc2ccccc21 c1csc(C[*:1])n1 CN(C(=O)Cn1c(nc2ccccc21)C1CCCCC1)[*:1]
CN(Cc1nccs1)C(=O)Cn1c(C2CCCCC2)nc2ccccc21 c1csc(n1)[*:1] CN(C[*:1])C(=O)Cn1c(nc2ccccc21)C1CCCCC1
CN(Cc1nccs1)C(=O)Cn1c(C2CCCCC2)nc2ccccc21 C1CCC(CC1)[*:1] CN(Cc1nccs1)C(=O)Cn1c(nc2ccccc21)[*:1]
[NH3+]CCn1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2CO)nn1 c1ccc(cc1)C[*:1] [NH3+]CCn1cc(nn1)C(=O)N1CCN(C[C@H]1CO)[*:1]
[NH3+]CCn1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2CO)nn1 c1ccc(cc1)[*:1] [NH3+]CCn1cc(nn1)C(=O)N1CCN(C[C@H]1CO)C[*:1]
[NH3+]CCn1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2CO)nn1 [NH3+]CC[*:1] O=C(c1cn(nn1)[*:1])N1CCN(Cc2ccccc2)C[C@H]1CO
CC[C@H](C)c1ccccc1OCc1cnc(NN)s1 CC[C@H](C)[*:1] NNc1ncc(COc2ccccc2[*:1])s1
CC(C)n1ccc2ccc(C(=O)NCc3nnc4ccccn34)cc21 CC(C)[*:1] O=C(NCc1nnc2ccccn12)c1ccc2ccn(c2c1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccccn1 Fc1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)Nc1ccccn1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccccn1 c1ccc(nc1)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[*:1]
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(Cl)c2)cc1 CC(C)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)O[*:1])c1cccc(Cl)c1
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC(C)Oc1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(Cl)c2)cc1 CC(C)O[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1cccc(Cl)c1
C[C@H](NC(=O)N[C@@H]1CCC(C)(C)c2ccccc21)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)N[C@@H]1CCC(C)(C)c2ccccc21)[*:1]
C[C@H](NC(=O)N[C@@H]1CCC(C)(C)c2ccccc21)c1ccncc1 C[C@H](c1ccncc1)[*:1] CC1(C)CC[C@@H](NC(=O)N[*:1])c2ccccc21
CCn1c(SCC(=O)N2CCC[C@H]2C(=O)NC)nc2ccccc21 CNC(=O)[*:1] CCn1c(nc2ccccc21)SCC(=O)N1CCC[C@@H]1[*:1]
COc1ccc(CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccccc1-c1nc2ccccc2[nH]1
COc1ccc(CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[*:1]
COc1ccc(CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(cc1)CC(=O)Nc1ccccc1[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1N Cc1cccc(c1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(n1N)[*:1]
CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)c2ccccc2O1 CCCNC(=O)[*:1] Cn1cc(cn1)S(=O)(=O)N1C[C@H](Oc2ccccc21)[*:1]
CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)c2ccccc2O1 CCC[*:1] Cn1cc(cn1)S(=O)(=O)N1C[C@H](Oc2ccccc21)C(=O)N[*:1]
CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)c2ccccc2O1 Cn1cc(cn1)[*:1] CCCNC(=O)[C@@H]1CN(c2ccccc2O1)S(=O)(=O)[*:1]
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)c1ccc2[nH]c(=O)oc2c1 c1coc(c1)C[*:1] O=C(CSc1nnc(C2CC2)n1[*:1])c1ccc2[nH]c(=O)oc2c1
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)c1ccc2[nH]c(=O)oc2c1 c1coc(c1)[*:1] O=C(CSc1nnc(C2CC2)n1C[*:1])c1ccc2[nH]c(=O)oc2c1
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)c1ccc2[nH]c(=O)oc2c1 C1CC1[*:1] O=C(CSc1nnc(n1Cc1ccco1)[*:1])c1ccc2[nH]c(=O)oc2c1
O=C(c1ccncc1Cl)N1CCC[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(c1ccncc1Cl)N1CCC[C@H]1[*:1]
O=C(c1ccncc1Cl)N1CCC[C@@H]1c1cccc(Cl)c1 Clc1cnccc1[*:1] O=C(N1CCC[C@@H]1c1cccc(Cl)c1)[*:1]
C/C=C/c1ccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1 CC=C[*:1] COc1cc(ccc1OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[*:1]
CCCN(CC1CC1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 CCC[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 C1CC1C[*:1] CCCN(C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC[C@H](C)C1)[*:1]
CCCN(CC1CC1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 C1CC1[*:1] CCCN(C[*:1])C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC[C@H](C)C1
COc1cc(CNC(=O)NC[C@@H](O)c2ccccc2)ccn1 c1ccc(cc1)[*:1] COc1cc(ccn1)CNC(=O)NC[C@@H](O)[*:1]
O[C@@H](COc1ccccc1)C[NH+]1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1 c1ccc(cc1)OC[*:1] O[C@@H](C[NH+]1CCN(CC1)c1ccc(c[nH+]1)C(F)(F)F)[*:1]
O[C@@H](COc1ccccc1)C[NH+]1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1 c1ccc(cc1)[*:1] O[C@@H](CO[*:1])C[NH+]1CCN(CC1)c1ccc(c[nH+]1)C(F)(F)F
O[C@@H](COc1ccccc1)C[NH+]1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1 FC(F)(F)[*:1] O[C@@H](COc1ccccc1)C[NH+]1CCN(CC1)c1ccc(c[nH+]1)[*:1]
O[C@@H](COc1ccccc1)C[NH+]1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1 c1ccc(cc1)O[*:1] O[C@H](C[NH+]1CCN(CC1)c1ccc(c[nH+]1)C(F)(F)F)C[*:1]
CC1=NN(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)[C@](O)(C(F)(F)F)C1 Cc1nn(C[*:1])c(C)c1Br CC1C[C@](O)(N(N=1)C(=O)c1ccc(cc1)[*:1])C(F)(F)F
CC1=NN(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CC1C[C@@](O)(N(N=1)C(=O)c1ccc(cc1)Cn1nc(C)c(Br)c1C)[*:1]
CC1=NN(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)[C@](O)(C(F)(F)F)C1 Cc1nn(c(C)c1Br)[*:1] CC1C[C@](O)(N(N=1)C(=O)c1ccc(cc1)C[*:1])C(F)(F)F
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)cc1 CCO[*:1] Cc1ccc(cc1C(=O)Nc1ccc(cc1)[*:1])S(=O)(=O)Nc1ccccc1F
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)cc1 Fc1ccccc1[*:1] CCOc1ccc(cc1)NC(=O)c1cc(ccc1C)S(=O)(=O)N[*:1]
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)Nc1ccccc1F
Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](c4nc(N(C)C)ncc4-c4ccccc4)C3)c2c1 Cc1ccc2[nH]nc(c2c1)[*:1] CN(C)c1ncc(-c2ccccc2)c(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](c4nc(N(C)C)ncc4-c4ccccc4)C3)c2c1 c1ccc(cc1)[*:1] Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](C3)c3nc(ncc3[*:1])N(C)C)c2c1
Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](c4nc(N(C)C)ncc4-c4ccccc4)C3)c2c1 CN(C)[*:1] Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](C3)c3nc(ncc3-c3ccccc3)[*:1])c2c1
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(cc1)[*:1]
CCOC(=O)C[C@H](c1c([O-])[nH]c2ccccc2c1=O)C(C)C CCOC(=O)C[*:1] CC(C)[C@@H](c1c([O-])[nH]c2ccccc2c1=O)[*:1]
CCOC(=O)C[C@H](c1c([O-])[nH]c2ccccc2c1=O)C(C)C CC(C)[*:1] CCOC(=O)C[C@H](c1c([O-])[nH]c2ccccc2c1=O)[*:1]
CCOC(=O)C[C@H](c1c([O-])[nH]c2ccccc2c1=O)C(C)C CCOC(=O)[*:1] CC(C)[C@H](C[*:1])c1c([O-])[nH]c2ccccc2c1=O
CCN1CCN(S(=O)(=O)c2ccc(Oc3ccccc3OC)cc2)CC1 COc1ccccc1[*:1] CCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)O[*:1]
CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 C1CCC(CC1)[*:1] CC[NH+]1CCC(CC1)N(C)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccccc1)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccccc1)[*:1]
Cc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccccc1)C(C)(C)C c1ccc(cc1)C[*:1] Cc1ccccc1-n1cnnc1SCC(=O)N(C(C)(C)C)[*:1]
Cc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccccc1)C(C)(C)C c1ccc(cc1)[*:1] Cc1ccccc1-n1cnnc1SCC(=O)N(C[*:1])C(C)(C)C
Cc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccccc1)C(C)(C)C Cc1ccccc1[*:1] CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nncn1[*:1]
Cc1cscc1-c1nc(C)c(C(=O)[O-])c(C)n1 O=C([O-])[*:1] Cc1cscc1-c1nc(C)c(c(C)n1)[*:1]
Cc1cc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(CN2CCNC(=O)C[C@H]2[*:1])c(C)o1
Cc1cc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C1C[C@H](c2ccccc2)N(CCN1)C[*:1]
Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)n(CC(=O)N3CCc4ccccc43)c(=O)c12 O=C(N1CCc2ccccc21)[*:1] Cc1nn(-c2ccccc2)c2nc(n(C[*:1])c(=O)c12)C(F)(F)F
Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)n(CC(=O)N3CCc4ccccc43)c(=O)c12 c1ccc(cc1)[*:1] Cc1nn(c2nc(n(CC(=O)N3CCc4ccccc43)c(=O)c12)C(F)(F)F)[*:1]
Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)n(CC(=O)N3CCc4ccccc43)c(=O)c12 FC(F)(F)[*:1] Cc1nn(-c2ccccc2)c2nc(n(CC(=O)N3CCc4ccccc43)c(=O)c12)[*:1]
Cn1cc(-c2nc(C[NH+]3CCC(COc4ccccn4)CC3)cs2)cn1 c1ccc(nc1)OC[*:1] Cn1cc(cn1)-c1nc(cs1)C[NH+]1CCC(CC1)[*:1]
Cn1cc(-c2nc(C[NH+]3CCC(COc4ccccn4)CC3)cs2)cn1 Cn1cc(cn1)[*:1] c1ccc(nc1)OCC1CC[NH+](CC1)Cc1csc(n1)[*:1]
Cn1cc(-c2nc(C[NH+]3CCC(COc4ccccn4)CC3)cs2)cn1 c1ccc(nc1)O[*:1] Cn1cc(cn1)-c1nc(cs1)C[NH+]1CCC(CC1)C[*:1]
Cn1cc(-c2nc(C[NH+]3CCC(COc4ccccn4)CC3)cs2)cn1 c1ccc(nc1)[*:1] Cn1cc(cn1)-c1nc(cs1)C[NH+]1CCC(CC1)CO[*:1]
Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCC2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C1CCC[C@H]1[C@H]1CCCCN1C(=O)[*:1]
Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCC2=O)c(C)o1 O=C1CCC[C@H]1[*:1] Cc1cc(C(=O)N2CCCC[C@H]2[*:1])c(C)o1
C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](NC(=O)NCc1ccc(cc1)S(N)(=O)=O)[*:1]
C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccn1 NS(=O)(=O)[*:1] C[C@H](NC(=O)NCc1ccc(cc1)[*:1])c1ccccn1
Cc1ccc(C[C@@H]2CCCN2C(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@H]1C[*:1]
Cc1ccc(C[C@@H]2CCCN2C(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C[C@@H]1CCCN1C(=O)Cc1c(C)nn(c1C)[*:1]
Cc1ccc(C[C@@H]2CCCN2C(=O)Cc2c(C)nn(-c3ccccc3)c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@H]1[*:1]
CC[NH2+][C@H](C)c1ccnc(O[C@H]2CCOC2)c1 C1C[C@@H](CO1)[*:1] CC[NH2+][C@H](C)c1ccnc(c1)O[*:1]
COCCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OC)=C1C COCC[*:1] COC(=O)C1=C(C)N(C(=O)N[C@H]1c1ccccc1Cl)[*:1]
COCCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OC)=C1C COC(=O)[*:1] COCCN1C(=O)N[C@H](C(=C1C)[*:1])c1ccccc1Cl
COCCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OC)=C1C Clc1ccccc1[*:1] COCCN1C(=O)N[C@@H](C(C(=O)OC)=C1C)[*:1]
COCCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OC)=C1C COC[*:1] COC(=O)C1=C(C)N(C[*:1])C(=O)N[C@H]1c1ccccc1Cl
O=C(C1=Cc2ccccc2OC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(C1=Cc2ccccc2OC1)N1CCN(CC1)S(=O)(=O)[*:1]
CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 CC[C@@H](C)NC(=O)[*:1] N#Cc1ccc(nc1)N1CC[NH+](CC1)C[*:1]
CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 CC[C@@H](C)[*:1] N#Cc1ccc(nc1)N1CC[NH+](CC1)CC(=O)N[*:1]
CCOc1cc(-c2c(C#N)c(N)nc3c2CCc2ccccc2-3)ccc1O CCO[*:1] N#Cc1c(N)nc2-c3ccccc3CCc2c1-c1ccc(O)c(c1)[*:1]
COc1ncccc1C(=O)N1CCC(C(=O)NCc2nc(C)no2)CC1 Cc1noc(n1)[*:1] COc1ncccc1C(=O)N1CCC(CC1)C(=O)NC[*:1]
COc1ncccc1C(=O)N1CCC(C(=O)NCc2nc(C)no2)CC1 COc1ncccc1[*:1] Cc1noc(CNC(=O)C2CCN(CC2)C(=O)[*:1])n1
COc1ncccc1C(=O)N1CCC(C(=O)NCc2nc(C)no2)CC1 Cc1noc(C[*:1])n1 COc1ncccc1C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(O[C@H](C)C(=O)NC[C@](C)(O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)O[*:1] C[C@H](C(=O)NC[C@](C)(O)c1ccc(F)cc1)[*:1]
Cc1ccc(O[C@H](C)C(=O)NC[C@](C)(O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NC[C@](C)(O)c1ccc(F)cc1
Cc1ccc(O[C@H](C)C(=O)NC[C@](C)(O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)NC[C@](C)(O)[*:1]
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)n1-c1cccnc1 c1cncc(c1)[*:1] Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)n1[*:1]
Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)c(C)n1-c1cccnc1 c1ccc2oc(nc2c1)[*:1] Cc1cc(C(=O)[C@@H](C#N)[*:1])c(C)n1-c1cccnc1
C[C@@H](NC(=O)NNC(=O)Nc1ccccc1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@@H](NC(=O)NNC(=O)Nc1ccccc1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)NNC(=O)Nc1ccccc1)c1ccc(C(C)(C)C)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NNC(=O)N[*:1])c1ccc(cc1)C(C)(C)C
Cc1ccccc1O[C@H](C)CNC(=O)CC(C)C CC(C)C[*:1] Cc1ccccc1O[C@H](C)CNC(=O)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)CC(C)C CC(C)[*:1] Cc1ccccc1O[C@H](C)CNC(=O)C[*:1]
O=C(NCC1(O)CCCCCC1)NC1CCC([NH+]2CCCCC2)CC1 OC1(CCCCCC1)[*:1] O=C(NC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
CCc1cccc(NC(=O)C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 CCc1cccc(c1)[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)C(=O)N[*:1]
CN(C)C(=O)c1cccc(N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)n1 CN(C)C(=O)[*:1] CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(CC2)c1cccc(n1)[*:1]
CN(C)C(=O)c1cccc(N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)n1 O=C([O-])[*:1] CN(C)C(=O)c1cccc(n1)N1CCC2(CC1)[C@H](CC(=O)N2C)[*:1]
COc1ccccc1N1CCN(C(=O)c2ccccc2SCc2ccccc2)CC1 COc1ccccc1[*:1] O=C(c1ccccc1SCc1ccccc1)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C(=O)c2ccccc2SCc2ccccc2)CC1 c1ccc(cc1)CS[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1ccccc1[*:1]
COc1ccccc1N1CCN(C(=O)c2ccccc2SCc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1ccccc1SC[*:1]
COc1ccccc1N1CCN(C(=O)c2ccccc2SCc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1ccccc1S[*:1]
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2-n2nc(C)cc2C)c1 Cc1cc(C)n(n1)[*:1] CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1[*:1]
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2-n2nc(C)cc2C)c1 CCN(CC)S(=O)(=O)[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)c1cc(ccc1Cl)[*:1]
CN(C[C@H](O)C1CC1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(C[C@H](O)C1CC1)C(=O)[C@@H]1CSCN1C(=O)[*:1]
CN(C[C@H](O)C1CC1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1
CN(C[C@H](O)C1CC1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 O[C@H](C1CC1)[*:1] CN(C[*:1])C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1
CC[C@@H]1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2CN(Cc2cccc(OC)c2)C1=O Fc1ccc(cc1)[*:1] CC[C@@H]1Oc2ccc(cc2CN(Cc2cccc(c2)OC)C1=O)NC(=O)C[*:1]
CC[C@@H]1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2CN(Cc2cccc(OC)c2)C1=O O=C(Cc1ccc(F)cc1)N[*:1] CC[C@@H]1Oc2ccc(cc2CN(Cc2cccc(c2)OC)C1=O)[*:1]
CC[C@@H]1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2CN(Cc2cccc(OC)c2)C1=O COc1cccc(c1)C[*:1] CC[C@@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)Cc1ccc(F)cc1
CC[C@@H]1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2CN(Cc2cccc(OC)c2)C1=O Fc1ccc(cc1)C[*:1] CC[C@@H]1Oc2ccc(cc2CN(Cc2cccc(c2)OC)C1=O)NC(=O)[*:1]
CC[C@@H]1Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2CN(Cc2cccc(OC)c2)C1=O COc1cccc(c1)[*:1] CC[C@@H]1Oc2ccc(cc2CN(C[*:1])C1=O)NC(=O)Cc1ccc(F)cc1
CCc1ccc([C@@H]2CCCCCN2C(=O)C2CC2)o1 C1CC1[*:1] CCc1ccc(o1)[C@@H]1CCCCCN1C(=O)[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 CC[C@@H](C)[*:1] O=c1[nH]c2ccc(cc2[nH]1)S(=O)(=O)N[*:1]
COc1cc(CCN[C@H](C(N)=O)c2ccc(F)cc2)ccc1F NC(=O)[*:1] COc1cc(ccc1F)CCN[C@H](c1ccc(F)cc1)[*:1]
COc1cc(CCN[C@H](C(N)=O)c2ccc(F)cc2)ccc1F Fc1ccc(cc1)[*:1] COc1cc(ccc1F)CCN[C@H](C(N)=O)[*:1]
CCOc1ccc(NC(=O)CN2C(=O)C[C@@H](C)Sc3ccccc32)cc1 CCO[*:1] C[C@@H]1CC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])c2ccccc2S1
CCn1nc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)ccc1=O Clc1ccccc1[*:1] CCn1nc(ccc1=O)C(=O)Nc1nn(cc1C)[*:1]
CCN(Cc1cc(-c2ccccc2)[nH]n1)C[C@H](C)C#N c1ccc(cc1)[*:1] CCN(Cc1cc([nH]n1)[*:1])C[C@H](C)C#N
CCN(Cc1cc(-c2ccccc2)[nH]n1)C[C@H](C)C#N C[C@H](C#N)C[*:1] CCN(Cc1cc([nH]n1)-c1ccccc1)[*:1]
Cc1c(Cl)cccc1NC(=O)NCc1cn([C@@H]2C[NH2+][C@H](C(=O)[O-])C2)nn1 Cc1c(Cl)cccc1[*:1] O=C(NCc1cn(nn1)[C@@H]1C[NH2+][C@@H](C1)C(=O)[O-])N[*:1]
COc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1OC[*:1]
COc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1O[*:1]
COc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1[*:1]
C#CCCOc1ccc(C[NH2+][C@@H]2CCCn3nc(CC)nc32)cc1 C#CCCO[*:1] CCc1nc2[C@@H](CCCn2n1)[NH2+]Cc1ccc(cc1)[*:1]
C#CCCOc1ccc(C[NH2+][C@@H]2CCCn3nc(CC)nc32)cc1 C#CC[*:1] CCc1nc2[C@@H](CCCn2n1)[NH2+]Cc1ccc(cc1)OC[*:1]
C#CCCOc1ccc(C[NH2+][C@@H]2CCCn3nc(CC)nc32)cc1 C#CCC[*:1] CCc1nc2[C@@H](CCCn2n1)[NH2+]Cc1ccc(cc1)O[*:1]
CCC[C@@H](C[NH2+]C(C)C)C(=O)[O-] O=C([O-])[*:1] CCC[C@@H](C[NH2+]C(C)C)[*:1]
CCC[C@@H](C[NH2+]C(C)C)C(=O)[O-] CC(C)[*:1] CCC[C@@H](C[NH2+][*:1])C(=O)[O-]
CCC[C@@H](C[NH2+]C(C)C)C(=O)[O-] CCC[*:1] CC(C)[NH2+]C[C@@H](C(=O)[O-])[*:1]
CCOc1ccc2c(c1)sc(=S)n2CN1C[C@H](C)O[C@@H](C)C1 CCO[*:1] C[C@H]1CN(C[C@H](C)O1)Cn1c(=S)sc2cc(ccc21)[*:1]
Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccccc2)cn1 Cc1ccc(cn1)[*:1] O=C(N[C@@H]1[C@H]2CCC[C@H]2[C@H]1c1ccccc1)[*:1]
Cc1ccc(C(=O)N[C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccccc2)cn1 c1ccc(cc1)[*:1] Cc1ccc(cn1)C(=O)N[C@@H]1[C@H]2CCC[C@H]2[C@@H]1[*:1]
COc1ccc(-c2cc(CC(=O)NCc3c(F)cccc3F)no2)cc1 Fc1cccc(F)c1[*:1] COc1ccc(cc1)-c1cc(CC(=O)NC[*:1])no1
COc1ccc(-c2cc(CC(=O)NCc3c(F)cccc3F)no2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1cc(on1)[*:1])NCc1c(F)cccc1F
CCCCN(CCOC)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O CCC[*:1] COCCN(C[*:1])C(=O)Nc1ccc2c(c1)CCCN2C(C)=O
CCCCN(CCOC)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O CCCC[*:1] COCCN(C(=O)Nc1ccc2c(c1)CCCN2C(C)=O)[*:1]
CCCCN(CCOC)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O COCC[*:1] CCCCN(C(=O)Nc1ccc2c(c1)CCCN2C(C)=O)[*:1]
CCCCN(CCOC)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O COC[*:1] CCCCN(C[*:1])C(=O)Nc1ccc2c(c1)CCCN2C(C)=O
O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)OCc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(Cn1nc(oc1=O)-c1ccc(F)cc1)OC[*:1]
O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)OCc1nc2ccccc2s1 Fc1ccc(cc1)[*:1] O=C(Cn1nc(oc1=O)[*:1])OCc1nc2ccccc2s1
CC[C@H](C)C(=O)OCc1cccc(C(=O)OC)c1 CC[C@H](C)[*:1] COC(=O)c1cccc(c1)COC(=O)[*:1]
CC[C@H](C)C(=O)OCc1cccc(C(=O)OC)c1 COC(=O)[*:1] CC[C@H](C)C(=O)OCc1cccc(c1)[*:1]
CCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1coc2ccc(Cl)cc2c1=O CCCOC(=O)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C([C@@H]2c1coc2ccc(Cl)cc2c1=O)[*:1]
CCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1coc2ccc(Cl)cc2c1=O CCC[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)O[*:1])[C@@H]2c1coc2ccc(Cl)cc2c1=O
CCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1coc2ccc(Cl)cc2c1=O COC(=O)[*:1] CCCOC(=O)C1=C(C)NC2C[C@@H](C)[C@H](C(=O)C=2[C@H]1c1coc2ccc(Cl)cc2c1=O)[*:1]
CSc1ccc(/C=N/NC(=O)CCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CSc1ccc(/C=N/NC(=O)CC[*:1])cc1
CSc1ccc(/C=N/NC(=O)CCCc2ccccc2)cc1 c1ccc(cc1)[*:1] CSc1ccc(/C=N/NC(=O)CCC[*:1])cc1
Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)s2)cs1 Cc1nc(cs1)[*:1] O=S(=O)(c1ccc(s1)[*:1])N1CCN(CC1)c1ccccc1
Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)s2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)-c1ccc(s1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1sc(NC(=O)C2CC2)c(C(=O)Nc2ccc3[nH]ncc3c2)c1C C1CC1[*:1] Cc1sc(NC(=O)[*:1])c(C(=O)Nc2ccc3[nH]ncc3c2)c1C
Cc1sc(NC(=O)C2CC2)c(C(=O)Nc2ccc3[nH]ncc3c2)c1C O=C(N[*:1])C1CC1 Cc1sc(c(C(=O)Nc2ccc3[nH]ncc3c2)c1C)[*:1]
COc1ccc(OCCn2c(C[NH+]3CCCC3)nc3ccccc32)cc1 COc1ccc(cc1)[*:1] c1ccc2c(c1)nc(C[NH+]1CCCC1)n2CCO[*:1]
Cc1ccoc1C(=O)N1CCCN(C(=O)c2ccncc2)CC1 Cc1ccoc1[*:1] O=C(c1ccncc1)N1CCCN(CC1)C(=O)[*:1]
Cc1ccoc1C(=O)N1CCCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] Cc1ccoc1C(=O)N1CCCN(CC1)C(=O)[*:1]
Cc1n[nH]c(SCC(=O)Nc2cccc(CSC(C)C)c2C)n1 Cc1n[nH]c(n1)[*:1] Cc1c(cccc1NC(=O)CS[*:1])CSC(C)C
Cc1n[nH]c(SCC(=O)Nc2cccc(CSC(C)C)c2C)n1 CC(C)[*:1] Cc1n[nH]c(n1)SCC(=O)Nc1cccc(CS[*:1])c1C
Cc1n[nH]c(SCC(=O)Nc2cccc(CSC(C)C)c2C)n1 CC(C)SC[*:1] Cc1n[nH]c(n1)SCC(=O)Nc1cccc(c1C)[*:1]
Cc1n[nH]c(SCC(=O)Nc2cccc(CSC(C)C)c2C)n1 Cc1n[nH]c(n1)S[*:1] Cc1c(cccc1NC(=O)C[*:1])CSC(C)C
Cc1n[nH]c(SCC(=O)Nc2cccc(CSC(C)C)c2C)n1 CC(C)S[*:1] Cc1n[nH]c(n1)SCC(=O)Nc1cccc(C[*:1])c1C
CC(C)NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 CC(C)NC(=O)[*:1] O=S1(=O)CC[C@H](C1)S(=O)(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 CC(C)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1
CC(C)[NH+]1CCCN(Cn2nc(N3CCCCC3)n(C3CC3)c2=S)CC1 CC(C)[*:1] S=c1n(CN2CCC[NH+](CC2)[*:1])nc(N2CCCCC2)n1C1CC1
CC(C)[NH+]1CCCN(Cn2nc(N3CCCCC3)n(C3CC3)c2=S)CC1 C1CC1[*:1] CC(C)[NH+]1CCCN(CC1)Cn1nc(N2CCCCC2)n(c1=S)[*:1]
CC(C)[NH+]1CCCN(Cn2nc(N3CCCCC3)n(C3CC3)c2=S)CC1 C1CCN(CC1)[*:1] CC(C)[NH+]1CCCN(CC1)Cn1nc(n(c1=S)C1CC1)[*:1]
COc1cc(OCC(=O)[C@H](C#N)c2ccc(F)cn2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])OCC(=O)[C@H](C#N)c1ccc(F)cn1
COc1cc(OCC(=O)[C@H](C#N)c2ccc(F)cn2)ccc1[N+](=O)[O-] Fc1ccc(nc1)[*:1] COc1cc(ccc1[N+](=O)[O-])OCC(=O)[C@H](C#N)[*:1]
COc1ccc(C2(C(=O)N3CCC(n4cnc5cccnc54)CC3)CC2)cc1 c1cnc2c(c1)ncn2[*:1] COc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)[*:1]
COc1ccc(C2(C(=O)N3CCC(n4cnc5cccnc54)CC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(N1CCC(CC1)n1cnc2cccnc21)C1(CC1)[*:1]
C[C@@H]1CN(C(=O)c2ccccc2C#N)C[C@@]1(O)C1CC1 C1CC1[*:1] C[C@@H]1CN(C[C@]1(O)[*:1])C(=O)c1ccccc1C#N
N#CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 N#CC[*:1] O=C(N/N=C/c1ccc(cc1)O[*:1])C(O)(c1ccccc1)c1ccccc1
N#CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)[*:1])cc1
N#CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 N#CCO[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])C(O)(c1ccccc1)c1ccccc1
Cc1c(NC(=O)[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)[C@H]1CN(C)CCO1
O=C1c2cc(F)ccc2-c2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] O=C1c2cc(F)ccc2-c2cc(ccc21)[*:1]
O=C(c1ccc(=O)n(Cc2cccc(Cl)c2)c1)N1CCc2ccccc21 Clc1cccc(c1)C[*:1] O=C(c1ccc(=O)n(c1)[*:1])N1CCc2ccccc21
O=C(c1ccc(=O)n(Cc2cccc(Cl)c2)c1)N1CCc2ccccc21 Clc1cccc(c1)[*:1] O=C(c1ccc(=O)n(c1)C[*:1])N1CCc2ccccc21
Nc1c(C(=O)Nc2ccccc2[N+](=O)[O-])sc2[nH+]c(N3CCOCC3)c3c(c12)CCCC3 O=[N+]([O-])c1ccccc1[*:1] Nc1c(sc2[nH+]c(c3CCCCc3c12)N1CCOCC1)C(=O)N[*:1]
Nc1c(C(=O)Nc2ccccc2[N+](=O)[O-])sc2[nH+]c(N3CCOCC3)c3c(c12)CCCC3 O=[N+]([O-])[*:1] Nc1c(sc2[nH+]c(c3CCCCc3c12)N1CCOCC1)C(=O)Nc1ccccc1[*:1]
Nc1c(C(=O)Nc2ccccc2[N+](=O)[O-])sc2[nH+]c(N3CCOCC3)c3c(c12)CCCC3 C1CN(CCO1)[*:1] Nc1c(sc2[nH+]c(c3CCCCc3c12)[*:1])C(=O)Nc1ccccc1[N+](=O)[O-]
CCOC(=O)c1c(C)sc(C2=C3C(=O)NC(=O)N=C3N=C2c2ccc(CC)cc2)c1[O-] CCc1ccc(cc1)[*:1] CCOC(=O)c1c(C)sc(C2C(=NC3=NC(=O)NC(=O)C=23)[*:1])c1[O-]
CCOC(=O)c1c(C)sc(C2=C3C(=O)NC(=O)N=C3N=C2c2ccc(CC)cc2)c1[O-] CCOC(=O)[*:1] CCc1ccc(cc1)C1=NC2=NC(=O)NC(=O)C2=C1c1sc(C)c(c1[O-])[*:1]
CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C)Oc2ccccc21 CC(C)[*:1] C[C@@H]1CN(C(=O)CCn2cc[nH+]c2[*:1])c2ccccc2O1
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNc1cc(C#N)cc(Cl)n1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)NNc1cc(C#N)cc(Cl)n1)[*:1]
COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2C)cc1OC O=C(c1ccc(F)cc1)[*:1] COc1ccc(cc1OC)-c1nnc(SC[*:1])n1C
COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2C)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nnc(SCC(=O)[*:1])n1C
O[C@H](c1ccccc1F)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] O[C@H](c1ccccc1F)c1cccc(c1F)[*:1]
C[C@H]1CCCN(C(=O)N2CCCCC[C@@H]2C[C@@H](C)O)C1 C[C@@H](O)[*:1] C[C@H]1CCCN(C1)C(=O)N1CCCCC[C@@H]1C[*:1]
C[C@H]1CCCN(C(=O)N2CCCCC[C@@H]2C[C@@H](C)O)C1 C[C@@H](O)C[*:1] C[C@H]1CCCN(C1)C(=O)N1CCCCC[C@H]1[*:1]
CC(C)c1ocnc1CN1CCC[C@H](c2nccs2)C1 c1csc(n1)[*:1] CC(C)c1ocnc1CN1CCC[C@H](C1)[*:1]
CC(C)c1ocnc1CN1CCC[C@H](c2nccs2)C1 CC(C)[*:1] c1csc(n1)[C@H]1CCCN(Cc2ncoc2[*:1])C1
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)s1 Cc1ccc(s1)[*:1] O=S(=O)(c1cccc(c1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)s1 FC(F)(F)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 FC(F)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)Nc1ccc(cc1)S(=O)(=O)[*:1]
C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 O=S(=O)(C(F)F)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)CN(C)C(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] CC[C@H](C)CN(C)C(=O)NCc1cn(nn1)[*:1]
CC[C@H](C)CN(C)C(=O)NCc1cn(-c2ccccc2)nn1 CC[C@H](C)[*:1] CN(C[*:1])C(=O)NCc1cn(nn1)-c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1=O CC(C)[*:1] CC[C@@]1(NC(=O)N(CC(=O)N[C@@](C)(C#N)[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1=O)[*:1]
CC(=O)N[C@H](CC(=O)N1CCN(c2nccs2)CC1)c1cccs1 c1csc(n1)[*:1] CC(=O)N[C@H](CC(=O)N1CCN(CC1)[*:1])c1cccs1
CC(=O)N[C@H](CC(=O)N1CCN(c2nccs2)CC1)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@H](CC(=O)N1CCN(CC1)c1nccs1)[*:1]
CC(=O)N[C@H](CC(=O)N1CCN(c2nccs2)CC1)c1cccs1 CC(=O)N[*:1] O=C(C[C@H](c1cccs1)[*:1])N1CCN(CC1)c1nccs1
O=C(NCC[C@@H](O)C1CC1)c1cc(=O)c2ccccc2o1 C1CC1[*:1] O=C(NCC[C@@H](O)[*:1])c1cc(=O)c2ccccc2o1
O=C(NCC[C@@H](O)C1CC1)c1cc(=O)c2ccccc2o1 O[C@H](C[*:1])C1CC1 O=C(NC[*:1])c1cc(=O)c2ccccc2o1
O=C(NCC[C@@H](O)C1CC1)c1cc(=O)c2ccccc2o1 O[C@H](CC[*:1])C1CC1 O=C(N[*:1])c1cc(=O)c2ccccc2o1
CSCCCCNC(=O)N[C@H](C)c1cccc(Br)c1 CSCCC[*:1] C[C@@H](NC(=O)NC[*:1])c1cccc(Br)c1
CSCCCCNC(=O)N[C@H](C)c1cccc(Br)c1 CSCCCC[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(Br)c1
CSCCCCNC(=O)N[C@H](C)c1cccc(Br)c1 CSC[*:1] C[C@@H](NC(=O)NCCC[*:1])c1cccc(Br)c1
CSCCCCNC(=O)N[C@H](C)c1cccc(Br)c1 CSCC[*:1] C[C@@H](NC(=O)NCC[*:1])c1cccc(Br)c1
O=C(Nc1ccccc1)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc(-c5ccccc5)cc4)n3)CO[C@H]12 c1ccc(cc1)-c1ccc(cc1)[*:1] O=C(Nc1ccccc1)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Nc1nccc(n1)[*:1]
O=C(Nc1ccccc1)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc(-c5ccccc5)cc4)n3)CO[C@H]12 c1ccc(cc1)[*:1] O=C(N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Nc1nccc(n1)-c1ccc(cc1)-c1ccccc1)N[*:1]
O=C(Nc1ccccc1)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc(-c5ccccc5)cc4)n3)CO[C@H]12 O=C(Nc1ccccc1)N[*:1] c1ccc(cc1)-c1ccc(cc1)-c1ccnc(n1)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)[*:1]
O=C(Nc1ccccc1)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc(-c5ccccc5)cc4)n3)CO[C@H]12 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Nc1nccc(n1)-c1ccc(cc1)[*:1]
COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccco1 COC(=O)[*:1] O=C1N=C(N[C@H](c2ccco2)[C@@H]1[*:1])N1CCN(CC1)c1ccc(F)cc1
COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccco1 c1coc(c1)[*:1] COC(=O)[C@@H]1C(=O)N=C(N[C@H]1[*:1])N1CCN(CC1)c1ccc(F)cc1
COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccco1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H]1C(=O)N=C(N[C@@H]1c1ccco1)N1CCN(CC1)[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)[N-][C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)[N-][C@@H](C)[*:1]
COc1ccc(CNC(=O)c2cc(-c3csc(C)n3)cn2C)cc1F Cc1nc(cs1)[*:1] COc1ccc(cc1F)CNC(=O)c1cc(cn1C)[*:1]
Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CN1CCOCC1 Cc1[nH]c(=O)sc1[*:1] C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CN1CCOCC1 C[C@@H](CN1CCOCC1)[*:1] Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CN1CCOCC1 C1CN(CCO1)[*:1] Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C[*:1]
Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CN1CCOCC1 C1CN(CCO1)C[*:1] Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)c1ncccc1C#N c1ccc(cc1)C[*:1] C[C@@H](CCO)N(c1ncccc1C#N)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)c1ncccc1C#N c1ccc(cc1)[*:1] C[C@@H](CCO)N(C[*:1])c1ncccc1C#N
C[C@@H](CCO)N(Cc1ccccc1)c1ncccc1C#N OCC[*:1] C[C@@H](N(Cc1ccccc1)c1ncccc1C#N)[*:1]
C[C@H]1CN(C)c2ccccc2N(C(=O)c2nc(C3CC3)n3ccccc23)C1 C1CC1[*:1] C[C@H]1CN(C)c2ccccc2N(C1)C(=O)c1nc(n2ccccc12)[*:1]
Nc1ccccc1N(CCO)C(=O)NC1CCCC1 OCC[*:1] Nc1ccccc1N(C(=O)NC1CCCC1)[*:1]
Nc1ccccc1N(CCO)C(=O)NC1CCCC1 C1CCC(C1)[*:1] Nc1ccccc1N(CCO)C(=O)N[*:1]
C/C(=C\c1cccc(Br)c1)C[NH2+]C(C)C CC(C)[*:1] C/C(=C\c1cccc(Br)c1)C[NH2+][*:1]
O=C(c1ccccc1O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 Clc1cccc(c1)CC[*:1] O=C(c1ccccc1O)N1C[C@H]2[C@@H](C1)OC(=O)N2[*:1]
O=C(c1ccccc1O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(c1ccccc1O)N1C[C@H]2[C@@H](C1)OC(=O)N2CC[*:1]
O=C(c1ccccc1O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C(c1ccccc1O)N1C[C@H]2[C@@H](C1)OC(=O)N2C[*:1]
O=C(c1ccccc1O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 Oc1ccccc1[*:1] O=C1O[C@@H]2CN(C[C@@H]2N1CCc1cccc(Cl)c1)C(=O)[*:1]
COc1ccc([C@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)C(C)C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]([NH2+][C@@H]1CCN(C1)C(=O)[*:1])C(C)C
COc1ccc([C@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H]([NH2+][C@@H]1CCN(C1)C(=O)c1ccccc1)[*:1]
COc1ccc([C@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H]([NH2+][C@@H]1CCN(C1)C(=O)c1ccccc1)[*:1]
CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2cccnc2)CC1 c1cncc(c1)[*:1] CCNC(=O)C1(CC[NH+](CC1)C[*:1])Cc1ccccc1-c1ccccc1
CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2cccnc2)CC1 c1cncc(c1)C[*:1] CCNC(=O)C1(CC[NH+](CC1)[*:1])Cc1ccccc1-c1ccccc1
CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2cccnc2)CC1 CCNC(=O)[*:1] c1ccc(cc1)-c1ccccc1CC1(CC[NH+](CC1)Cc1cccnc1)[*:1]
CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2cccnc2)CC1 c1ccc(cc1)[*:1] CCNC(=O)C1(CC[NH+](CC1)Cc1cccnc1)Cc1ccccc1[*:1]
O=C(CN(C[C@@H]1CCCO1)C(=O)c1cc2ccccc2s1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(c1cc2ccccc2s1)N(C[C@@H]1CCCO1)[*:1]
O=C(CN(C[C@@H]1CCCO1)C(=O)c1cc2ccccc2s1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(c1cc2ccccc2s1)N(C[C@@H]1CCCO1)C[*:1]
CCSCc1ccc(C(=O)Nc2cc(F)ccc2OC)cc1 CCSC[*:1] COc1ccc(F)cc1NC(=O)c1ccc(cc1)[*:1]
CCSCc1ccc(C(=O)Nc2cc(F)ccc2OC)cc1 CCS[*:1] COc1ccc(F)cc1NC(=O)c1ccc(cc1)C[*:1]
Cc1cc(C)n2nc(C(=O)N3CCN(Cc4ccc(-c5cccc(Cl)c5)s4)CC3)nc2n1 Clc1cccc(c1)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N1CCN(CC1)Cc1ccc(s1)[*:1]
COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(C)ccc1C)CC2 Cc1ccc(C)c(c1)[*:1] COCCCN1CC2(CCC1=O)CC[NH+](CC2)C[*:1]
COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(C)ccc1C)CC2 COCCC[*:1] Cc1ccc(C)c(c1)C[NH+]1CCC2(CCC(=O)N(C2)[*:1])CC1
COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(C)ccc1C)CC2 COCC[*:1] Cc1ccc(C)c(c1)C[NH+]1CCC2(CCC(=O)N(C2)C[*:1])CC1
COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(C)ccc1C)CC2 COC[*:1] Cc1ccc(C)c(c1)C[NH+]1CCC2(CCC(=O)N(CC[*:1])C2)CC1
C[C@H]1C[C@@H](OC(=O)c2ccc(NC(=O)C3CC3)cc2)C(=O)O1 O=C(N[*:1])C1CC1 C[C@H]1C[C@@H](OC(=O)c2ccc(cc2)[*:1])C(=O)O1
C[C@H]1C[C@@H](OC(=O)c2ccc(NC(=O)C3CC3)cc2)C(=O)O1 C1CC1[*:1] C[C@H]1C[C@@H](OC(=O)c2ccc(cc2)NC(=O)[*:1])C(=O)O1
CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cnccc1C CCS[*:1] Cc1ccncc1NC(=O)N[C@@H]1CCCC[C@@H]1[*:1]
CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCn2nc(C)nc21 CC[C@H](C)[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@H](C)[*:1]
O=C1C[C@H](c2ccsc2)[C@@H](c2cccc(Br)c2)C(=O)N1 c1cc(cs1)[*:1] O=C1C[C@H]([C@H](C(=O)N1)c1cccc(Br)c1)[*:1]
CC[C@H]1CCCN(C(=O)Nc2cccc(N3CCCC3=O)c2)C1 O=C1CCCN1[*:1] CC[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)[*:1]
CCOc1cccc([C@H]2CC[C@@H](Br)C2)c1 CCO[*:1] Br[C@@H]1CC[C@@H](C1)c1cccc(c1)[*:1]
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OC(F)F)C1 FC(F)O[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc(F)cc1[*:1]
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OC(F)F)C1 FC(F)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc(F)cc1O[*:1]
COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1OC1CCN(C(C)=O)CC1 Clc1cccc(c1)C[*:1] COc1ccc(cc1OC1CCN(CC1)C(C)=O)C(=O)N[*:1]
COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1OC1CCN(C(C)=O)CC1 Clc1cccc(c1)[*:1] COc1ccc(cc1OC1CCN(CC1)C(C)=O)C(=O)NC[*:1]
COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1OC1CCN(C(C)=O)CC1 CC(=O)N1CCC(CC1)[*:1] COc1ccc(cc1O[*:1])C(=O)NCc1cccc(Cl)c1
CCC(CC)(CCO)CNc1cncc(Br)c1 OCC[*:1] CCC(CC)(CNc1cncc(Br)c1)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] Cn1cc(cn1)C[*:1] CN(C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] CN(Cc1cnn(C)c1)C(=O)c1ccc(cc1[N+](=O)[O-])[*:1]
CN(Cc1cnn(C)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(Cc1cnn(C)c1)C(=O)c1ccc(cc1[*:1])C(F)(F)F
CN(Cc1cnn(C)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1OC CNC(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccccc1C(=O)N1CCCCC1
CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1OC O=C(N1CCCCC1)[*:1] CNC(=O)c1cc(ccc1OC)S(=O)(=O)Nc1ccccc1[*:1]
CC(=O)C1=CC(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)=NC1 CC(=O)[*:1] O=C(OCC(=O)c1cccc(c1)C(F)(F)F)C1C=C(CN=1)[*:1]
CC(=O)C1=CC(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)=NC1 FC(F)(F)[*:1] CC(=O)C1=CC(=NC1)C(=O)OCC(=O)c1cccc(c1)[*:1]
COC(=O)c1ccccc1NC(=O)CSC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1 COC(=O)[*:1] O=C(CSC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21)Nc1ccccc1[*:1]
CC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1cc(C)c(F)cc1F COC(=O)[*:1] CC[C@@](C)(C[*:1])NS(=O)(=O)c1cc(C)c(F)cc1F
CC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1cc(C)c(F)cc1F COC(=O)C[*:1] CC[C@@](C)(NS(=O)(=O)c1cc(C)c(F)cc1F)[*:1]
C[C@H]1c2ccsc2CCN1C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] C[C@H]1c2ccsc2CCN1C(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N\c1nccs1 c1csc(n1)[*:1] CN1C(=O)/C(=C/c2ccc(O)cc2)SC1=N[*:1]
CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N\c1nccs1 Oc1ccc(cc1)[*:1] CN1C(=O)C(=C[*:1])S/C1=N\c1nccs1
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=C/C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F)[*:1]
CC[C@](C)([C@H](O)COC(C)C)N1CCOCC1 CC(C)OC[*:1] CC[C@](C)([C@H](O)[*:1])N1CCOCC1
CC[C@](C)([C@H](O)COC(C)C)N1CCOCC1 CC(C)O[*:1] CC[C@](C)([C@H](O)C[*:1])N1CCOCC1
CC[C@](C)([C@H](O)COC(C)C)N1CCOCC1 CC(C)[*:1] CC[C@](C)([C@H](O)CO[*:1])N1CCOCC1
CC(C)(CC(=O)[O-])CC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 O=C([O-])[*:1] CC(C)(CC(=O)N1CCN(CC1)c1nc2ccc(Cl)cc2s1)C[*:1]
CCCOc1ncnc(N2CCC[C@H]([NH+](C)C)C2)c1N CCCO[*:1] C[NH+](C)[C@H]1CCCN(C1)c1ncnc(c1N)[*:1]
CCCOc1ncnc(N2CCC[C@H]([NH+](C)C)C2)c1N CCC[*:1] C[NH+](C)[C@H]1CCCN(C1)c1ncnc(O[*:1])c1N
Cc1ccn2c(=O)cc(CSCC(=O)Nc3ccccc3)nc2c1 c1ccc(cc1)[*:1] Cc1ccn2c(=O)cc(CSCC(=O)N[*:1])nc2c1
CC(=S)Nc1ccc(C#N)cc1 CC(=S)N[*:1] N#Cc1ccc(cc1)[*:1]
CONC(=O)c1ccc(C(=O)NOC)s1 CONC(=O)[*:1] CONC(=O)c1ccc(s1)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)Nc1cc2c(cc1Cl)NC(=O)C2 CC(C)[*:1] [NH3+]C[C@@H](C[*:1])C(=O)Nc1cc2CC(=O)Nc2cc1Cl
CC(C)C[C@H](C[NH3+])C(=O)Nc1cc2c(cc1Cl)NC(=O)C2 CC(C)C[*:1] [NH3+]C[C@H](C(=O)Nc1cc2CC(=O)Nc2cc1Cl)[*:1]
Cc1ccc2nc([C@H](C)Cl)n([C@@H](C)C[NH+]3CCCC3)c2c1 C[C@H](Cl)[*:1] Cc1ccc2nc(n(c2c1)[C@@H](C)C[NH+]1CCCC1)[*:1]
O=C1CCCN1c1ccc(Cl)c(/C([O-])=N/S(=O)(=O)CCCF)c1 FCCC[*:1] O=C1CCCN1c1ccc(Cl)c(c1)/C([O-])=N/S(=O)(=O)[*:1]
O=C1CCCN1c1ccc(Cl)c(/C([O-])=N/S(=O)(=O)CCCF)c1 O=C1CCCN1[*:1] O=S(=O)(CCCF)/N=C(\[O-])c1cc(ccc1Cl)[*:1]
O=C1CCCN1c1ccc(Cl)c(/C([O-])=N/S(=O)(=O)CCCF)c1 FCC[*:1] O=C1CCCN1c1ccc(Cl)c(c1)/C([O-])=N/S(=O)(=O)C[*:1]
COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cccc(F)c1C COC(=O)[*:1] Cc1c(F)cccc1NC(=O)[C@@H]1C[C@H]1[*:1]
CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(CC)CC(C)(C)O Brc1csc(c1)[*:1] CC[C@@H]([NH3+])[C@H](N(CC)CC(C)(C)O)[*:1]
CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(CC)CC(C)(C)O CC(C)(O)C[*:1] CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(CC)[*:1]
CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(CC)CC(C)(C)O CC(C)(O)[*:1] CC[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(CC)C[*:1]
N#Cc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(COC(=O)CNC(=O)C1CCCCC1)N[*:1]
N#Cc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] N#Cc1ccc(cc1)NC(=O)COC(=O)CNC(=O)[*:1]
Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2C)c1C Cc1cccc(c1C)[*:1] C[C@@H]1c2cccn2-c2ccccc2CN1C(=O)N[*:1]
C[C@H]([NH2+]Cc1ccccc1C1CC1)C1CCCCC1 C1CC1[*:1] C[C@H]([NH2+]Cc1ccccc1[*:1])C1CCCCC1
C[C@H]([NH2+]Cc1ccccc1C1CC1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H]([NH2+]Cc1ccccc1C1CC1)[*:1]
CCOCCC(=O)Nc1ccc2oc(=O)n(C)c2c1 CCOCC[*:1] Cn1c(=O)oc2ccc(cc21)NC(=O)[*:1]
CCOCCC(=O)Nc1ccc2oc(=O)n(C)c2c1 CCO[*:1] Cn1c(=O)oc2ccc(cc21)NC(=O)CC[*:1]
CCOCCC(=O)Nc1ccc2oc(=O)n(C)c2c1 CCOC[*:1] Cn1c(=O)oc2ccc(cc21)NC(=O)C[*:1]
Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1CC(=O)Nc1ccc(F)cc1 Clc1ccc(Cl)c(c1)[*:1] Cc1c(nnn1CC(=O)Nc1ccc(F)cc1)C(=O)N[*:1]
Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1CC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(nnn1CC(=O)N[*:1])C(=O)Nc1cc(Cl)ccc1Cl
Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5C)n4ccn3n2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)-c1cc2c3nnc(SCC(=O)N[*:1])n3ccn2n1
Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5C)n4ccn3n2)cc1 Cc1ccccc1NC(=O)[*:1] Cc1ccc(cc1)-c1cc2c3nnc(SC[*:1])n3ccn2n1
Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5C)n4ccn3n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CSc1nnc2c3cc(nn3ccn12)[*:1]
CCCN1CCO[C@@H](c2ccc(C)cc2C)C1 CCC[*:1] Cc1ccc(c(C)c1)[C@H]1CN(CCO1)[*:1]
O=C(Nc1cccc2cnccc12)N[C@H](CO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1cccc2cnccc12)N[C@H](CO)[*:1]
O=C(Nc1cccc2cnccc12)N[C@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc2cnccc12)N[C@H](CO)C[*:1]
CCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C CCC[*:1] Cn1c(nnc1-c1ccc(cc1)C(C)(C)C)SCC(=O)N[*:1]
CCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C CCCNC(=O)[*:1] Cn1c(nnc1-c1ccc(cc1)C(C)(C)C)SC[*:1]
CCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C CCCNC(=O)C[*:1] Cn1c(nnc1-c1ccc(cc1)C(C)(C)C)S[*:1]
CCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C CC(C)(C)[*:1] CCCNC(=O)CSc1nnc(-c2ccc(cc2)[*:1])n1C
CCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C CCCNC(=O)CS[*:1] Cn1c(nnc1[*:1])-c1ccc(cc1)C(C)(C)C
O=C(NCCOc1ccccc1)N1CCN(c2nccs2)CC1 c1ccc(cc1)O[*:1] O=C(NCC[*:1])N1CCN(CC1)c1nccs1
O=C(NCCOc1ccccc1)N1CCN(c2nccs2)CC1 c1ccc(cc1)[*:1] O=C(NCCO[*:1])N1CCN(CC1)c1nccs1
O=C(NCCOc1ccccc1)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] O=C(NCCOc1ccccc1)N1CCN(CC1)[*:1]
Cc1cccc([C@H](C)CNC(=O)C2C[C@@H](C)O[C@H](C)C2)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
COc1ccc([C@@H](NC(=O)N(C)CCS(C)(=O)=O)C2CC2)cc1 CS(=O)(=O)CC[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(C)[*:1])C1CC1
COc1ccc([C@@H](NC(=O)N(C)CCS(C)(=O)=O)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(C)CCS(C)(=O)=O)[*:1]
COc1ccc([C@@H](NC(=O)N(C)CCS(C)(=O)=O)C2CC2)cc1 CS(=O)(=O)C[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(C)C[*:1])C1CC1
COc1ccc([C@@H](NC(=O)N(C)CCS(C)(=O)=O)C2CC2)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(C)CC[*:1])C1CC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc2ncccc12 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1C(=O)Nc1cccc2ncccc12)[*:1]
CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)Cc2cccnc2)C1 CNC(=O)[*:1] O=C(Cc1cccnc1)N1CCC[C@@](Cc2cccc(c2)-c2cccnc2)(C1)[*:1]
CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)Cc2cccnc2)C1 c1cncc(c1)C[*:1] CNC(=O)[C@@]1(CCCN(C1)C(=O)[*:1])Cc1cccc(c1)-c1cccnc1
CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)Cc2cccnc2)C1 c1cncc(c1)[*:1] CNC(=O)[C@@]1(CCCN(C1)C(=O)C[*:1])Cc1cccc(c1)-c1cccnc1
CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)Cc2cccnc2)C1 c1cncc(c1)[*:1] CNC(=O)[C@@]1(CCCN(C1)C(=O)Cc1cccnc1)Cc1cccc(c1)[*:1]
Cc1c(Cc2ccccc2)c(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N C(CN1CCOCC1)N[*:1] Cc1c(Cc2ccccc2)c(n2c(nc3ccccc32)c1C#N)[*:1]
Cc1c(Cc2ccccc2)c(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N C1CN(CCO1)CC[*:1] Cc1c(Cc2ccccc2)c(N[*:1])n2c(nc3ccccc32)c1C#N
Cc1c(Cc2ccccc2)c(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N C1CN(CCO1)[*:1] Cc1c(Cc2ccccc2)c(NCC[*:1])n2c(nc3ccccc32)c1C#N
Cc1c(Cc2ccccc2)c(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N c1ccc(cc1)C[*:1] Cc1c(c(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N)[*:1]
Cc1c(Cc2ccccc2)c(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N c1ccc(cc1)[*:1] Cc1c(C[*:1])c(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N
Cc1c(Cc2ccccc2)c(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N C1CN(CCO1)C[*:1] Cc1c(Cc2ccccc2)c(NC[*:1])n2c(nc3ccccc32)c1C#N
CN(C)C(=O)c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 CN(C)C(=O)[*:1] O=C(Cc1ccc(F)cc1)NCc1ccc(cc1)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)C[*:1]
COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cc(Cl)ccc3OC)n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(n[nH]1)[*:1]
COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cc(Cl)ccc3OC)n2)cc1 COc1ccc(Cl)cc1[*:1] COc1ccc(cc1)-c1n[nH]c(n1)S[C@H](C)C(=O)N[*:1]
CC(C)N(Cc1cccc(Cl)c1)C(=O)/C=C/c1ccc(OCC#N)cc1 Clc1cccc(c1)[*:1] CC(C)N(C[*:1])C(=O)/C=C/c1ccc(cc1)OCC#N
CC(C)N(Cc1cccc(Cl)c1)C(=O)/C=C/c1ccc(OCC#N)cc1 N#CC[*:1] CC(C)N(Cc1cccc(Cl)c1)C(=O)/C=C/c1ccc(cc1)O[*:1]
CC(C)N(Cc1cccc(Cl)c1)C(=O)/C=C/c1ccc(OCC#N)cc1 N#CCO[*:1] CC(C)N(Cc1cccc(Cl)c1)C(=O)/C=C/c1ccc(cc1)[*:1]
CC(C)N(Cc1cccc(Cl)c1)C(=O)/C=C/c1ccc(OCC#N)cc1 Clc1cccc(c1)C[*:1] CC(C)N(C(=O)/C=C/c1ccc(cc1)OCC#N)[*:1]
CC(C)N(Cc1cccc(Cl)c1)C(=O)/C=C/c1ccc(OCC#N)cc1 CC(C)[*:1] N#CCOc1ccc(/C=C/C(=O)N(Cc2cccc(Cl)c2)[*:1])cc1
O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1O Oc1ccccc1[*:1] O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N[*:1]
COCCO[C@H](C)C(=O)N1CCC[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] COCCO[C@H](C)C(=O)N1CCC[C@H]1[*:1]
COCCO[C@H](C)C(=O)N1CCC[C@@H]1c1cccc(F)c1 COCC[*:1] C[C@@H](O[*:1])C(=O)N1CCC[C@@H]1c1cccc(F)c1
COCCO[C@H](C)C(=O)N1CCC[C@@H]1c1cccc(F)c1 COCCO[C@H](C)[*:1] O=C(N1CCC[C@@H]1c1cccc(F)c1)[*:1]
COCCO[C@H](C)C(=O)N1CCC[C@@H]1c1cccc(F)c1 COC[*:1] C[C@@H](OC[*:1])C(=O)N1CCC[C@@H]1c1cccc(F)c1
COCCO[C@H](C)C(=O)N1CCC[C@@H]1c1cccc(F)c1 COCCO[*:1] C[C@H](C(=O)N1CCC[C@@H]1c1cccc(F)c1)[*:1]
O=C(NCc1ccc(Cl)cc1)c1cc2ccccc2nc1Cl Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1cc2ccccc2nc1Cl
O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1 Clc1ccc(cc1)[*:1] O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc2nc(NS(=O)(=O)[*:1])sc2c1
O=C(CCC(F)(F)F)NCCCn1nc2ccccn2c1=O FC(F)(F)[*:1] O=C(CC[*:1])NCCCn1nc2ccccn2c1=O
O=C(CCC(F)(F)F)NCCCn1nc2ccccn2c1=O FC(F)(F)C[*:1] O=C(C[*:1])NCCCn1nc2ccccn2c1=O
O=C(CCC(F)(F)F)NCCCn1nc2ccccn2c1=O FC(F)(F)CC[*:1] O=C(NCCCn1nc2ccccn2c1=O)[*:1]
c1cc(C[NH+]2CCC3(CCCCC3)C2)n[nH]1 c1cc(n[nH]1)[*:1] C1CCC2(CC1)CC[NH+](C2)C[*:1]
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1=O c1cc2CCCc2cc1[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)c2cccc(c2)C(F)(F)F)C1=O)[*:1]
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1=O FC(F)(F)c1cccc(c1)[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)[*:1])C1=O)c1ccc2CCCc2c1
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1=O FC(F)(F)[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)c2cccc(c2)[*:1])C1=O)c1ccc2CCCc2c1
CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(C)c2)N1 Cc1cccc(c1)[*:1] CC1NC(=NC(C=1C#N)(C(F)(F)F)C(F)(F)F)[*:1]
CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(C)c2)N1 FC(F)(F)[*:1] CC1NC(=NC(C=1C#N)(C(F)(F)F)[*:1])c1cccc(C)c1
COc1cccc(C[C@H]2CCCN2Cc2ccn(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C[C@H]1CCCN1Cc1ccn(n1)[*:1]
COc1cccc(C[C@H]2CCCN2Cc2ccn(-c3ccccc3)n2)c1 COc1cccc(c1)[*:1] c1ccc(cc1)-n1ccc(CN2CCC[C@@H]2C[*:1])n1
CN(C)/C=N/NC(=O)c1nn(-c2cccc(Cl)c2)cc(Sc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)S[*:1] CN(C)/C=N/NC(=O)c1nn(cc(c1=O)[*:1])-c1cccc(Cl)c1
CN(C)/C=N/NC(=O)c1nn(-c2cccc(Cl)c2)cc(Sc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] CN(C)/C=N/NC(=O)c1nn(cc(S[*:1])c1=O)-c1cccc(Cl)c1
CN(C)/C=N/NC(=O)c1nn(-c2cccc(Cl)c2)cc(Sc2ccc(Cl)cc2)c1=O Clc1cccc(c1)[*:1] CN(C)/C=N/NC(=O)c1nn(cc(Sc2ccc(Cl)cc2)c1=O)[*:1]
CN(C)/C=N/NC(=O)c1nn(-c2cccc(Cl)c2)cc(Sc2ccc(Cl)cc2)c1=O CN(C)/C=N/NC(=O)[*:1] O=c1c(cn(nc1[*:1])-c1cccc(Cl)c1)Sc1ccc(Cl)cc1
NC(=O)c1c(F)cc(Br)cc1NC[C@@H]1CCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] NC(=O)c1c(F)cc(Br)cc1NC[C@@H]1CCO[C@H]1[*:1]
NC(=O)c1c(F)cc(Br)cc1NC[C@@H]1CCO[C@@H]1c1ccccc1 NC(=O)[*:1] Fc1cc(Br)cc(NC[C@@H]2CCO[C@@H]2c2ccccc2)c1[*:1]
O=S(=O)(CC[NH2+][C@H]1CCOc2c(F)cccc21)NCC1CCC1 C1CC(C1)C[*:1] O=S(=O)(CC[NH2+][C@H]1CCOc2c(F)cccc21)N[*:1]
O=S(=O)(CC[NH2+][C@H]1CCOc2c(F)cccc21)NCC1CCC1 C1CC(C1)[*:1] O=S(=O)(CC[NH2+][C@H]1CCOc2c(F)cccc21)NC[*:1]
CC(C)N1CC[C@@H](N[C@H](C)c2cc(F)cc(F)c2)C1=O CC(C)[*:1] C[C@@H](N[C@@H]1CCN(C1=O)[*:1])c1cc(F)cc(F)c1
COC[C@@H](C)NC(=O)CSc1cccc(N)c1 COC[C@@H](C)[*:1] Nc1cccc(c1)SCC(=O)N[*:1]
COC[C@@H](C)NC(=O)CSc1cccc(N)c1 COC[*:1] C[C@@H](NC(=O)CSc1cccc(N)c1)[*:1]
CCC(=O)c1ccc(OCC(C)(C)C(=O)OC)cc1 COC(=O)[*:1] CCC(=O)c1ccc(cc1)OCC(C)(C)[*:1]
CCC(=O)c1ccc(OCC(C)(C)C(=O)OC)cc1 CCC(=O)[*:1] COC(=O)C(C)(C)COc1ccc(cc1)[*:1]
C#CCN(C(=O)Nc1ccn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] C#CCN(C(=O)Nc1ccn(n1)[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(C(=O)Nc1ccn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(Nc1ccn(n1)-c1ccccc1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 CCCC[*:1] C[C@@H]([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)[*:1]
CCCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 CCCC[C@@H](C)[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCCC[C@@H]1[NH2+][*:1]
CCCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 CCC[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1
Brc1ccccc1-c1csc(-c2ccncn2)n1 c1cc(ncn1)[*:1] Brc1ccccc1-c1csc(n1)[*:1]
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cnn(C)c1C)SCC(O)=N2 Cc1c(cnn1C)[*:1] Cc1nn(c2N=C(O)CS[C@@H](c12)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cnn(C)c1C)SCC(O)=N2 O=S1(=O)CC[C@H](C1)[*:1] Cc1nn(c2N=C(O)CS[C@@H](c3cnn(C)c3C)c12)[*:1]
CCC[C@H]1CN(Cc2cc[nH]n2)CCO1 c1cc(n[nH]1)[*:1] CCC[C@H]1CN(CCO1)C[*:1]
CCC[C@H]1CN(Cc2cc[nH]n2)CCO1 CCC[*:1] c1cc(CN2CCO[C@H](C2)[*:1])n[nH]1
O=C(NCc1cccnc1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 c1cncc(c1)C[*:1] O=C(N[*:1])c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1
O=C(NCc1cccnc1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 c1cncc(c1)[*:1] O=C(NCc1cccnc1)c1nnn(-c2ccc(Cl)cc2)c1[*:1]
O=C(NCc1cccnc1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 Clc1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1nnn(c1-c1cccnc1)[*:1]
O=C(NCc1cccnc1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 c1cncc(c1)[*:1] O=C(NC[*:1])c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1
CCN[C@H](Cc1ccccc1F)C[NH+](C)C CCN[*:1] C[NH+](C)C[C@@H](Cc1ccccc1F)[*:1]
C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 C=CCO[*:1] C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(c1)[*:1]
C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 C=CC[*:1] C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(c1)O[*:1]
CCNC(=O)c1ccc(NC(=O)Cc2ccon2)c(C)c1 c1cc(C[*:1])no1 CCNC(=O)c1ccc(NC(=O)[*:1])c(C)c1
CCNC(=O)c1ccc(NC(=O)Cc2ccon2)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)Cc1ccon1)[*:1]
CCNC(=O)c1ccc(NC(=O)Cc2ccon2)c(C)c1 c1cc(no1)[*:1] CCNC(=O)c1ccc(NC(=O)C[*:1])c(C)c1
CCC(CC)[NH+](C)Cc1nnc(-c2cccc(Cl)c2)o1 CCC(CC)[*:1] C[NH+](Cc1nnc(o1)-c1cccc(Cl)c1)[*:1]
CCOC(=O)[C@]1([NH2+]C(C)C)CCC[C@@H](SC(C)C)C1 CC(C)S[*:1] CCOC(=O)[C@@]1(CCC[C@@H](C1)[*:1])[NH2+]C(C)C
CCOC(=O)[C@]1([NH2+]C(C)C)CCC[C@@H](SC(C)C)C1 CC(C)[*:1] CCOC(=O)[C@@]1(CCC[C@H](C1)SC(C)C)[NH2+][*:1]
CCOC(=O)[C@]1([NH2+]C(C)C)CCC[C@@H](SC(C)C)C1 CC(C)[*:1] CCOC(=O)[C@@]1(CCC[C@H](C1)S[*:1])[NH2+]C(C)C
CCOC(=O)[C@]1([NH2+]C(C)C)CCC[C@@H](SC(C)C)C1 CCOC(=O)[*:1] CC(C)[NH2+][C@@]1(CCC[C@H](C1)SC(C)C)[*:1]
CCn1nc(C)cc1C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 CC(C)NC(=O)[*:1] CCn1nc(C)cc1C(=O)Nc1ccc(c(C)c1)[*:1]
CCn1nc(C)cc1C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 CCn1nc(C)cc1[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)[*:1]
CCn1nc(C)cc1C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 CC(C)[*:1] CCn1nc(C)cc1C(=O)Nc1ccc(C(=O)N[*:1])c(C)c1
O=C([O-])/C(=C\c1ccc(OC(F)F)cc1)Sc1nnc(-c2ccc(F)cc2)o1 FC(F)[*:1] O=C([O-])/C(=C\c1ccc(cc1)O[*:1])Sc1nnc(o1)-c1ccc(F)cc1
O=C([O-])/C(=C\c1ccc(OC(F)F)cc1)Sc1nnc(-c2ccc(F)cc2)o1 FC(F)O[*:1] O=C([O-])/C(=C\c1ccc(cc1)[*:1])Sc1nnc(o1)-c1ccc(F)cc1
O=C([O-])/C(=C\c1ccc(OC(F)F)cc1)Sc1nnc(-c2ccc(F)cc2)o1 O=C([O-])[*:1] Fc1ccc(cc1)-c1nnc(o1)S/C(=C/c1ccc(cc1)OC(F)F)[*:1]
O=C([O-])/C(=C\c1ccc(OC(F)F)cc1)Sc1nnc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C([O-])/C(=C\c1ccc(cc1)OC(F)F)Sc1nnc(o1)[*:1]
N#CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4Cl)ccc3[nH+]2)CC1 N#CCCN1CCN(CC1)[*:1] O=C([O-])c1cc([nH+]c2ccc(cc12)[N-]S(=O)(=O)c1ccccc1Cl)[*:1]
N#CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4Cl)ccc3[nH+]2)CC1 N#CCC[*:1] O=C([O-])c1cc([nH+]c2ccc(cc12)[N-]S(=O)(=O)c1ccccc1Cl)N1CCN(CC1)[*:1]
N#CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4Cl)ccc3[nH+]2)CC1 N#CC[*:1] O=C([O-])c1cc([nH+]c2ccc(cc12)[N-]S(=O)(=O)c1ccccc1Cl)N1CCN(CC1)C[*:1]
N#CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4Cl)ccc3[nH+]2)CC1 O=S(=O)([N-][*:1])c1ccccc1Cl N#CCCN1CCN(CC1)c1cc(C(=O)[O-])c2cc(ccc2[nH+]1)[*:1]
N#CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4Cl)ccc3[nH+]2)CC1 Clc1ccccc1[*:1] N#CCCN1CCN(CC1)c1cc(C(=O)[O-])c2cc(ccc2[nH+]1)[N-]S(=O)(=O)[*:1]
N#CCCN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4Cl)ccc3[nH+]2)CC1 O=C([O-])[*:1] N#CCCN1CCN(CC1)c1cc(c2cc(ccc2[nH+]1)[N-]S(=O)(=O)c1ccccc1Cl)[*:1]
O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)c1cccnc1 FC(F)(F)[*:1] O=C(Nc1ncc(Cc2ccc(cc2)O[*:1])s1)c1cccnc1
O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ncc(Cc2ccc(cc2)OC(F)(F)F)s1)[*:1]
O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)c1cccnc1 FC(F)(F)O[*:1] O=C(Nc1ncc(Cc2ccc(cc2)[*:1])s1)c1cccnc1
CC[C@@H](C)N(C)C(=O)c1ccc(C(N)=S)cc1 CC[C@@H](C)[*:1] CN(C(=O)c1ccc(cc1)C(N)=S)[*:1]
CC[C@@H](C)N(C)C(=O)c1ccc(C(N)=S)cc1 NC(=S)[*:1] CC[C@@H](C)N(C)C(=O)c1ccc(cc1)[*:1]
CSCc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1 CSC[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CCN(CC1)c1ccccc1
CSCc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CSCc1ccc(cc1)NC(=O)C(=O)N1CCN(CC1)[*:1]
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N[*:1]
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1cnc2c(cnn2[*:1])c1=O)NCc1ccc(Cl)cc1
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NC[*:1]
CC(=O)NCCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 CC(=O)N[*:1] O=C(NCC[*:1])N1CCC[C@@H]1c1cccc(Cl)c1
CC(=O)NCCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 CC(=O)NCC[*:1] O=C(N[*:1])N1CCC[C@@H]1c1cccc(Cl)c1
CC(=O)NCCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(=O)NCCNC(=O)N1CCC[C@H]1[*:1]
CC(=O)NCCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 CC(=O)NC[*:1] O=C(NC[*:1])N1CCC[C@@H]1c1cccc(Cl)c1
COc1cc2c(cc1OC)[C@@H](c1cc3cc(C)ccc3[nH]c1=O)N(C(=O)C1CCCCC1)CC2 C1CCC(CC1)[*:1] COc1cc2CCN(C(=O)[*:1])[C@@H](c2cc1OC)c1cc2cc(C)ccc2[nH]c1=O
CCC[C@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)N1CCc2sccc2C1 Oc1ccc(cc1Cl)[*:1] CCC[C@H](NC(=O)[*:1])C(=O)N1CCc2sccc2C1
CCC[C@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)N1CCc2sccc2C1 CCC[*:1] O=C(N[C@H](C(=O)N1CCc2sccc2C1)[*:1])c1ccc(O)c(Cl)c1
CCOC(=O)C[C@H](C)Nc1snc(Cl)c1C#N CCOC(=O)[*:1] C[C@@H](C[*:1])Nc1snc(Cl)c1C#N
FC(F)(F)c1cccc(-c2noc(CSC[C@@H]3CCCO3)n2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])-c1noc(CSC[C@@H]2CCCO2)n1
CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)c3ccccc3)CC2)nc1C(F)(F)F FC(F)(F)[*:1] CCOC(=O)c1cc(C#N)c(nc1[*:1])N1CCN(CC1)C(=O)c1ccccc1
CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)c3ccccc3)CC2)nc1C(F)(F)F c1ccc(cc1)[*:1] CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)[*:1]
CCOC(=O)c1cc(C#N)c(N2CCN(C(=O)c3ccccc3)CC2)nc1C(F)(F)F CCOC(=O)[*:1] N#Cc1cc(c(nc1N1CCN(CC1)C(=O)c1ccccc1)C(F)(F)F)[*:1]
COCc1ccc(C(=O)N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)o1 C1CN(CCO1)[*:1] COCc1ccc(o1)C(=O)N1C[C@H](CO)C[C@@H](C1)C[*:1]
COCc1ccc(C(=O)N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)o1 COCc1ccc(o1)[*:1] O=C(N1C[C@H](CO)C[C@H](CN2CCOCC2)C1)[*:1]
COCc1ccc(C(=O)N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)o1 C1CN(CCO1)C[*:1] COCc1ccc(o1)C(=O)N1C[C@H](CO)C[C@H](C1)[*:1]
COCc1ccc(C(=O)N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)o1 COC[*:1] O=C(c1ccc(o1)[*:1])N1C[C@H](CO)C[C@H](CN2CCOCC2)C1
O=S(=O)(NC[C@@](O)(Cc1ccccc1)c1cccs1)c1ccccc1Cl Clc1ccccc1[*:1] O=S(=O)(NC[C@@](O)(Cc1ccccc1)c1cccs1)[*:1]
O=S(=O)(NC[C@@](O)(Cc1ccccc1)c1cccs1)c1ccccc1Cl c1ccc(cc1)[*:1] O=S(=O)(NC[C@@](O)(C[*:1])c1cccs1)c1ccccc1Cl
O=S(=O)(NC[C@@](O)(Cc1ccccc1)c1cccs1)c1ccccc1Cl c1ccc(cc1)C[*:1] O=S(=O)(NC[C@@](O)(c1cccs1)[*:1])c1ccccc1Cl
O=S(=O)(NC[C@@](O)(Cc1ccccc1)c1cccs1)c1ccccc1Cl c1csc(c1)[*:1] O=S(=O)(NC[C@@](O)(Cc1ccccc1)[*:1])c1ccccc1Cl
O=C(Nc1ccc(Cl)cc1)OCCOCc1c(F)cccc1Cl Clc1ccc(cc1)[*:1] O=C(N[*:1])OCCOCc1c(F)cccc1Cl
CC(C)c1nc(CS(=O)(=O)[C@@H](C)C(=O)NCc2cccs2)cs1 CC(C)[*:1] C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)Cc1csc(n1)[*:1]
CC(C)c1nc(CS(=O)(=O)[C@@H](C)C(=O)NCc2cccs2)cs1 c1csc(c1)[*:1] CC(C)c1nc(cs1)CS(=O)(=O)[C@@H](C)C(=O)NC[*:1]
CC(C)c1nc(CS(=O)(=O)[C@@H](C)C(=O)NCc2cccs2)cs1 c1csc(c1)C[*:1] CC(C)c1nc(cs1)CS(=O)(=O)[C@@H](C)C(=O)N[*:1]
Cc1ccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1C Cc1ccc(cc1C)[*:1] O=C(N1CCN=C1SCc1ccc(Cl)cc1)[*:1]
Cc1ccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1C Clc1ccc(cc1)C[*:1] Cc1ccc(cc1C)C(=O)N1CCN=C1S[*:1]
Cc1ccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1C Clc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)N1CCN=C1SC[*:1]
Cc1cc(C)n(CCCOc2ccc(S(C)(=O)=O)cc2)n1 Cc1cc(C)n(n1)[*:1] CS(=O)(=O)c1ccc(cc1)OCCC[*:1]
Cc1cc(C)n(CCCOc2ccc(S(C)(=O)=O)cc2)n1 CS(=O)(=O)[*:1] Cc1cc(C)n(CCCOc2ccc(cc2)[*:1])n1
CC(=O)Nc1cccc2c1CCN(CC(=O)N(C1CC1)[C@H](C)C1CC1)C2 CC(=O)N[*:1] C[C@H](C1CC1)N(C(=O)CN1CCc2c(cccc2[*:1])C1)C1CC1
CC(=O)Nc1cccc2c1CCN(CC(=O)N(C1CC1)[C@H](C)C1CC1)C2 C1CC1[*:1] CC(=O)Nc1cccc2CN(CCc21)CC(=O)N([C@H](C)C1CC1)[*:1]
CC(=O)Nc1cccc2c1CCN(CC(=O)N(C1CC1)[C@H](C)C1CC1)C2 C1CC1[*:1] CC(=O)Nc1cccc2CN(CCc21)CC(=O)N(C1CC1)[C@H](C)[*:1]
COc1ccc(CCC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 NC(=O)c1ccc(nc1)[*:1] COc1ccc(cc1)CCC(=O)N1CCN(CC1)[*:1]
COc1ccc(CCC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 COc1ccc(cc1)[*:1] NC(=O)c1ccc(nc1)N1CCN(CC1)C(=O)CC[*:1]
COc1ccc(CCC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 NC(=O)[*:1] COc1ccc(cc1)CCC(=O)N1CCN(CC1)c1ccc(cn1)[*:1]
COc1ccc(CCC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 COc1ccc(cc1)C[*:1] NC(=O)c1ccc(nc1)N1CCN(CC1)C(=O)C[*:1]
CCc1ccc(C(C)(C)CNC(=O)N(C)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)C(C)(C)CNC(=O)N(C)[*:1]
NC(=O)[C@@H](OC(=O)c1cccc2ncccc12)c1ccccc1 NC(=O)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])c1cccc2ncccc12
NC(=O)[C@@H](OC(=O)c1cccc2ncccc12)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](OC(=O)c1cccc2ncccc12)[*:1]
CC1(C)OC(C)(C)[C@@H](CN2CCC[C@H](C(F)(F)F)C2)C1=O FC(F)(F)[*:1] CC1(C)OC(C)(C)[C@@H](CN2CCC[C@H](C2)[*:1])C1=O
CCOC[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 CCOC[*:1] O=C(c1cn(nn1)-c1cccc(c1)[N+](=O)[O-])N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 O=[N+]([O-])[*:1] CCOC[C@H]1CCN(C1)C(=O)c1cn(nn1)-c1cccc(c1)[*:1]
CCOC[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 CCO[*:1] O=C(c1cn(nn1)-c1cccc(c1)[N+](=O)[O-])N1CC[C@@H](C1)C[*:1]
CCOC(=O)c1c(NC(=O)CSc2nc(C)ccc2C#N)sc2c1CCC2 CCOC(=O)[*:1] Cc1ccc(C#N)c(n1)SCC(=O)Nc1sc2CCCc2c1[*:1]
CCOC(=O)c1c(NC(=O)CSc2nc(C)ccc2C#N)sc2c1CCC2 Cc1ccc(C#N)c(n1)[*:1] CCOC(=O)c1c(NC(=O)CS[*:1])sc2CCCc21
CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(OC)cc1C[NH3+] CC[C@@H](C)[*:1] COc1ccc(O[C@@H](C)C(=O)N[*:1])c(c1)C[NH3+]
CC(=O)N[C@@H](c1ccc(F)cc1)c1ccc(Br)cc1 CC(=O)N[*:1] Fc1ccc(cc1)[C@@H](c1ccc(Br)cc1)[*:1]
O=C(c1ccccc1)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(c1ccccc1)c1ccc(cc1)NC(=O)c1ccccc1[*:1]
O=C(c1ccccc1)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(=O)[*:1])c1ccccc1[N+](=O)[O-]
O=C(c1ccccc1)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 O=C(c1ccccc1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1[N+](=O)[O-]
Cc1ccc([C@H]2CCCCN2C(=O)[C@@H]2CCO[C@@H]2C)o1 Cc1ccc(o1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1[*:1]
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CCC5)c3N2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H]1C[C@H](n2ncc(C(=O)Nc3sc4CCCc4c3C#N)c2N1)[*:1]
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CCC5)c3N2)cc1 COc1ccc(cc1)[*:1] N#Cc1c(NC(=O)c2cnn3c2N[C@H](C[C@@H]3C(F)(F)F)[*:1])sc2CCCc21
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CCC5)c3N2)cc1 N#Cc1c(sc2CCCc21)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](n2ncc(C(=O)N[*:1])c2N1)C(F)(F)F
Cc1ccc2ncn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)c2c1 c1coc(c1)[*:1] Cc1ccc2ncn(CC(=O)N3CCN(CC3)C(=O)[*:1])c(=O)c2c1
CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1C CC(=O)c1c(C)[nH]c(c1C)[*:1] O=C1NC(C(=O)N1CC(=O)[*:1])(c1ccccc1)c1ccccc1
CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1C c1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(C2=O)(c2ccccc2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)c(C)c1[*:1]
O=C([O-])CCC[NH2+][C@H]1CCOC2(CCOCC2)C1 O=C([O-])C[*:1] C(C[*:1])[NH2+][C@H]1CCOC2(CCOCC2)C1
O=C([O-])CCC[NH2+][C@H]1CCOC2(CCOCC2)C1 O=C([O-])CC[*:1] C1CC2(CCO1)C[C@H](CCO2)[NH2+]C[*:1]
O=C([O-])CCC[NH2+][C@H]1CCOC2(CCOCC2)C1 O=C([O-])[*:1] C(C[NH2+][C@H]1CCOC2(CCOCC2)C1)C[*:1]
O=C(Nc1ccc(F)cc1OCC(F)F)C(=O)N1CCC[C@H](CO)C1 FC(F)CO[*:1] O=C(Nc1ccc(F)cc1[*:1])C(=O)N1CCC[C@H](CO)C1
O=C(Nc1ccc(F)cc1OCC(F)F)C(=O)N1CCC[C@H](CO)C1 FC(F)[*:1] O=C(Nc1ccc(F)cc1OC[*:1])C(=O)N1CCC[C@H](CO)C1
O=C(Nc1ccc(F)cc1OCC(F)F)C(=O)N1CCC[C@H](CO)C1 FC(F)C[*:1] O=C(Nc1ccc(F)cc1O[*:1])C(=O)N1CCC[C@H](CO)C1
CC(C)COC1CCN(Cc2nc3ccccc3n2C(F)F)CC1 CC(C)[*:1] FC(F)n1c(CN2CCC(CC2)OC[*:1])nc2ccccc21
CC(C)COC1CCN(Cc2nc3ccccc3n2C(F)F)CC1 FC(F)[*:1] CC(C)COC1CCN(CC1)Cc1nc2ccccc2n1[*:1]
CC(C)COC1CCN(Cc2nc3ccccc3n2C(F)F)CC1 CC(C)C[*:1] FC(F)n1c(CN2CCC(CC2)O[*:1])nc2ccccc21
CC(C)COC1CCN(Cc2nc3ccccc3n2C(F)F)CC1 CC(C)CO[*:1] FC(F)n1c(CN2CCC(CC2)[*:1])nc2ccccc21
Cn1cccc1C(=O)N1CCC(c2nnc(C[NH+](C)CCO)n2C)CC1 Cn1cccc1[*:1] Cn1c(C[NH+](C)CCO)nnc1C1CCN(CC1)C(=O)[*:1]
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC(=O)Nc1ccc2OCCOc2c1)C(=O)C[C@@H](C)[*:1]
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CCN(CC(=O)Nc1ccc2OCCOc2c1)C(=O)C[*:1]
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C[C@@H](C)c1ccccc1 C[C@H](C[*:1])c1ccccc1 CCN(CC(=O)Nc1ccc2OCCOc2c1)C(=O)[*:1]
O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(I)cn1 c1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])Nc1ccc(I)cn1
O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(I)cn1 Ic1ccc(nc1)[*:1] O=C(CSc1nnnn1-c1ccccc1)N[*:1]
CCN(Cc1ccc(OC)cc1)C(=O)C=C1CN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CCN(Cc1ccc(cc1)OC)C(=O)C=C1CN(C1)C(=O)O[*:1]
CCN(Cc1ccc(OC)cc1)C(=O)C=C1CN(C(=O)OC(C)(C)C)C1 COc1ccc(cc1)[*:1] CCN(C[*:1])C(=O)C=C1CN(C1)C(=O)OC(C)(C)C
O=C(CNC(=O)c1cc2ccccc2o1)Nc1ccon1 c1cc(no1)[*:1] O=C(CNC(=O)c1cc2ccccc2o1)N[*:1]
CO[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1 c1cncc(c1)[*:1] CO[C@H]1CCCN(C1)C(=O)c1cn(nc1[*:1])-c1ccccc1
CO[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1 c1ccc(cc1)[*:1] CO[C@H]1CCCN(C1)C(=O)c1cn(nc1-c1cccnc1)[*:1]
CCc1noc(CC)c1CC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 CN(C)[*:1] CCc1noc(CC)c1CC(=O)N1CCC[C@H]1c1cccc(c1)[*:1]
COCc1cc(C(=O)Nc2ccc(Br)nc2C)ccc1F COC[*:1] Cc1nc(Br)ccc1NC(=O)c1ccc(F)c(c1)[*:1]
COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCC1 c1coc(c1)C[*:1] COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)N[*:1]
COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCC1 c1coc(c1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)NC[*:1]
COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)NCc1ccco1
Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C#N)C(C)(C)C CC(C)(C)[*:1] Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C#N)[*:1]
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)C1(c2ccccc2F)CC1 Fc1cccc(F)c1[*:1] O=C(N[C@@H]1CCN(C1)[*:1])C1(CC1)c1ccccc1F
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)C1(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(N[C@@H]1CCN(C1)c1c(F)cccc1F)C1(CC1)[*:1]
O=C([O-])Cc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 O=C([O-])C[*:1] O=S(=O)(C[C@H]1CCCO1)c1ccc(cc1)[*:1]
O=C([O-])Cc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] O=C([O-])Cc1ccc(cc1)S(=O)(=O)[*:1]
O=C([O-])Cc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 O=C([O-])[*:1] O=S(=O)(C[C@H]1CCCO1)c1ccc(cc1)C[*:1]
O=C([O-])Cc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] O=C([O-])Cc1ccc(cc1)S(=O)(=O)C[*:1]
C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Br)s1 Brc1ccc(s1)[*:1] CC(=NNC(=O)[C@@H]1COc2ccccc2O1)[*:1]
CC(C)N(C)C(=O)C1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 CC(C)[*:1] CN(C(=O)C1CCN(CC1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)[*:1]
CC(C)N(C)C(=O)C1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 CC(C)N(C)C(=O)[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCC(CC1)[*:1]
CC1(C)Cc2nc([C@@H]3CSCCO3)ncc2[C@@H]([NH3+])C1 C1CSC[C@H](O1)[*:1] CC1(C)Cc2nc(ncc2[C@@H]([NH3+])C1)[*:1]
CCn1/c(=N/C(=O)Cc2ccc(S(C)(=O)=O)cc2)sc2c3ccccc3ccc21 CS(=O)(=O)[*:1] CCn1/c(=N/C(=O)Cc2ccc(cc2)[*:1])sc2c3ccccc3ccc21
CCC[C@H](O)c1ccn(CC[NH+]2CCCC2)c1 CCC[C@H](O)[*:1] c1cn(cc1[*:1])CC[NH+]1CCCC1
CCC[C@H](O)c1ccn(CC[NH+]2CCCC2)c1 CCC[*:1] O[C@H](c1ccn(c1)CC[NH+]1CCCC1)[*:1]
COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)on2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1cc(on1)C1CC1)[*:1]
COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)on2)N2CCOCC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1cc(on1)[*:1])N1CCOCC1
COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)on2)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1cc(on1)C1CC1
COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)on2)N2CCOCC2)cc1 c1c(noc1C1CC1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)[*:1])N1CCOCC1
CCN(C[C@H]1CCCO1)C(=O)Nc1ccc2c3c(cccc13)CC2 C1CO[C@H](C1)C[*:1] CCN(C(=O)Nc1ccc2CCc3cccc1c32)[*:1]
CCN(C[C@H]1CCCO1)C(=O)Nc1ccc2c3c(cccc13)CC2 C1CO[C@H](C1)[*:1] CCN(C[*:1])C(=O)Nc1ccc2CCc3cccc1c32
CCCN(CCO)C(=O)c1cc(C(F)(F)F)ccc1F OCC[*:1] CCCN(C(=O)c1cc(ccc1F)C(F)(F)F)[*:1]
CCCN(CCO)C(=O)c1cc(C(F)(F)F)ccc1F CCC[*:1] O=C(c1cc(ccc1F)C(F)(F)F)N(CCO)[*:1]
CCCN(CCO)C(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CCCN(CCO)C(=O)c1cc(ccc1F)[*:1]
CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC[C@@H]1C CCCC(=O)N[*:1] C[C@H]1CCCCN1c1ccc(cc1[*:1])C(F)(F)F
CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC[C@@H]1C C[C@H]1CCCCN1[*:1] CCCC(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC[C@@H]1C CCC[*:1] C[C@H]1CCCCN1c1ccc(cc1NC(=O)[*:1])C(F)(F)F
CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC[C@@H]1C FC(F)(F)[*:1] CCCC(=O)Nc1cc(ccc1N1CCCC[C@@H]1C)[*:1]
CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] CCN(Cc1ccc(cc1)C[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CCCN(CC(F)F)C(=O)N[C@H]1CCC[C@H](C2CC2)C1 CCC[*:1] O=C(N[C@H]1CCC[C@@H](C1)C1CC1)N(CC(F)F)[*:1]
CCCN(CC(F)F)C(=O)N[C@H]1CCC[C@H](C2CC2)C1 FC(F)C[*:1] CCCN(C(=O)N[C@H]1CCC[C@@H](C1)C1CC1)[*:1]
CCCN(CC(F)F)C(=O)N[C@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] CCCN(CC(F)F)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
CCCN(CC(F)F)C(=O)N[C@H]1CCC[C@H](C2CC2)C1 FC(F)[*:1] CCCN(C[*:1])C(=O)N[C@H]1CCC[C@@H](C1)C1CC1
Cc1ncsc1CN[C@@H]1CCCc2ccc(F)cc21 Cc1ncsc1[*:1] Fc1ccc2CCC[C@@H](NC[*:1])c2c1
Cc1ccc(Cl)cc1NC(=O)C[NH2+]Cc1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(Cl)cc1NC(=O)C[NH2+]C[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccnn2C)c1 CC(=O)N[*:1] C[C@H]([NH2+]Cc1ccnn1C)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccnn2C)c1 Cn1nccc1[*:1] CC(=O)Nc1cccc(c1)[C@H](C)[NH2+]C[*:1]
CC(C)c1cc(NCCC[NH+](C)C)n2c(nc3ccccc32)c1C#N CC(C)[*:1] C[NH+](C)CCCNc1cc(c(C#N)c2nc3ccccc3n12)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)Cn1nc(-c2cccs2)cc(N)c1=O c1csc(c1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)Cn1nc(cc(N)c1=O)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(C)cc(C)cc1C CC[S@@](=O)[*:1] Cc1cc(C)c(C[NH2+][C@H]2CCCC[C@H]2[*:1])c(C)c1
NC(=O)[C@H](NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@H](NNC(=O)c1cc(Cl)ccc1Cl)[*:1]
NC(=O)[C@H](NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 NC(=O)[*:1] O=C(NN[C@H](c1ccc(F)cc1)[*:1])c1cc(Cl)ccc1Cl
CCCCCCSc1ncnc2c1cnn2C CCC[*:1] Cn1ncc2c(ncnc21)SCCC[*:1]
CCCCCCSc1ncnc2c1cnn2C CCCC[*:1] Cn1ncc2c(ncnc21)SCC[*:1]
CCCCCCSc1ncnc2c1cnn2C CCCCC[*:1] Cn1ncc2c(ncnc21)SC[*:1]
COc1ccccc1CC(=O)N1CCC(NC(=O)[C@H]2CCO[C@H]2C)CC1 COc1ccccc1[*:1] C[C@@H]1OCC[C@@H]1C(=O)NC1CCN(CC1)C(=O)C[*:1]
O=C([O-])[C@H](Cc1cccc(O)c1)Cc1cccc(F)c1 O=C([O-])[*:1] Oc1cccc(c1)C[C@H](Cc1cccc(F)c1)[*:1]
CCOc1ccc(NC(=O)CN2c3ccccc3C[C@H]2C)cc1S(=O)(=O)N1CCCC1 CCO[*:1] C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCCC1)[*:1]
CCOc1ccc(NC(=O)CN2c3ccccc3C[C@H]2C)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] CCOc1ccc(cc1[*:1])NC(=O)CN1c2ccccc2C[C@H]1C
O=C(CCC(=O)Nc1ccccc1Cl)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CCC(=O)Nc1ccccc1Cl)N/N=C/c1ccc(Cl)c(c1)[*:1]
O=C(CCC(=O)Nc1ccccc1Cl)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 Clc1ccccc1[*:1] O=C(CCC(=O)N[*:1])N/N=C/c1ccc(Cl)c(c1)[N+](=O)[O-]
Cc1n[nH]c2ncc(NC(=O)N3CC[C@@H](C)[C@H]3c3cccc(F)c3)cc12 Fc1cccc(c1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N1CC[C@@H](C)[C@@H]1[*:1]
O=C(CCC(=O)c1ccccc1)NCc1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])NCc1ccc(Cl)cc1Cl
CCn1c([C@@H](C)[NH2+]CCn2cnnc2C2CC2)nc2ccccc21 C1CC1[*:1] CCn1c(nc2ccccc21)[C@@H](C)[NH2+]CCn1cnnc1[*:1]
CCn1c([C@@H](C)[NH2+]CCn2cnnc2C2CC2)nc2ccccc21 c1nnc(C2CC2)n1[*:1] CCn1c(nc2ccccc21)[C@@H](C)[NH2+]CC[*:1]
Cn1ncc2c1C[C@H](c1ccco1)C[C@@H]2[NH3+] c1coc(c1)[*:1] Cn1ncc2c1C[C@H](C[C@@H]2[NH3+])[*:1]
CCC[NH2+]CC(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] CCC[NH2+]CC(=O)N1CCC(CC1)[*:1]
CCC[NH2+]CC(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] CCC[NH2+]CC(=O)N1CCC(CC1)C[*:1]
CCC[NH2+]CC(=O)N1CCC(CC(=O)[O-])CC1 CCC[*:1] O=C([O-])CC1CCN(CC1)C(=O)C[NH2+][*:1]
CC1(C)CCC(CNC(=O)C[C@@H](NC(N)=O)c2cccs2)CC1 NC(=O)N[*:1] CC1(C)CCC(CC1)CNC(=O)C[C@@H](c1cccs1)[*:1]
CC1(C)CCC(CNC(=O)C[C@@H](NC(N)=O)c2cccs2)CC1 c1csc(c1)[*:1] CC1(C)CCC(CC1)CNC(=O)C[C@@H](NC(N)=O)[*:1]
CC(C)Cn1c(C[C@H]2CCN(C(=O)C(C)(C)C)C2)nc2cccnc21 CC(C)[*:1] CC(C)(C)C(=O)N1CC[C@H](Cc2nc3cccnc3n2C[*:1])C1
CC(C)Cn1c(C[C@H]2CCN(C(=O)C(C)(C)C)C2)nc2cccnc21 CC(C)C[*:1] CC(C)(C)C(=O)N1CC[C@H](Cc2nc3cccnc3n2[*:1])C1
CC(C)Cn1c(C[C@H]2CCN(C(=O)C(C)(C)C)C2)nc2cccnc21 CC(C)(C)[*:1] CC(C)Cn1c(C[C@H]2CCN(C2)C(=O)[*:1])nc2cccnc21
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@H](C)C2)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)N1CCC[C@H](C)C1
COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccc(cc1)[*:1]
COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)C[*:1] COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2[*:1]
COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2C[*:1]
COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccc(C(F)(F)F)cc1 c1coc(c1)[*:1] COc1ccc2c(c1)[C@@]1(SCCN1C(=O)[*:1])C(=O)N2Cc1ccc(cc1)C(F)(F)F
Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)c(C)o1 FC(F)[*:1] Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2O[*:1])c(C)o1
Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(F)cc1OC(F)F
Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)c(C)o1 FC(F)O[*:1] Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2[*:1])c(C)o1
Cc1csc(S(=O)(=O)CC(=O)NCc2ccccc2C)n1 Cc1ccccc1[*:1] Cc1csc(n1)S(=O)(=O)CC(=O)NC[*:1]
Cc1csc(S(=O)(=O)CC(=O)NCc2ccccc2C)n1 Cc1csc(n1)[*:1] Cc1ccccc1CNC(=O)CS(=O)(=O)[*:1]
O=S(=O)(N1CCCC1)N1CCN(Cc2nnsc2Cl)CC1 Clc1snnc1[*:1] O=S(=O)(N1CCCC1)N1CCN(CC1)C[*:1]
O=S(=O)(N1CCCC1)N1CCN(Cc2nnsc2Cl)CC1 Clc1snnc1C[*:1] O=S(=O)(N1CCCC1)N1CCN(CC1)[*:1]
C[C@H]1CCc2c(sc3ncn(CC(=O)N(CCC#N)Cc4ccco4)c(=O)c23)C1 N#CCC[*:1] C[C@H]1CCc2c(C1)sc1ncn(CC(=O)N(Cc3ccco3)[*:1])c(=O)c21
C[C@H]1CCc2c(sc3ncn(CC(=O)N(CCC#N)Cc4ccco4)c(=O)c23)C1 c1coc(c1)C[*:1] C[C@H]1CCc2c(C1)sc1ncn(CC(=O)N(CCC#N)[*:1])c(=O)c21
C[C@H]1CCc2c(sc3ncn(CC(=O)N(CCC#N)Cc4ccco4)c(=O)c23)C1 c1coc(c1)[*:1] C[C@H]1CCc2c(C1)sc1ncn(CC(=O)N(CCC#N)C[*:1])c(=O)c21
C[C@H]1CCc2c(sc3ncn(CC(=O)N(CCC#N)Cc4ccco4)c(=O)c23)C1 N#CC[*:1] C[C@H]1CCc2c(C1)sc1ncn(CC(=O)N(Cc3ccco3)C[*:1])c(=O)c21
CC1(C)CN(C(=O)Cc2csc(-c3cnccn3)n2)CCO1 c1cnc(cn1)[*:1] CC1(C)CN(CCO1)C(=O)Cc1csc(n1)[*:1]
C[C@@H]1c2ccccc2O[C@@H]1C(=O)OC[C@H](C#N)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1c2ccccc2O[C@@H]1C(=O)OC[C@H](C#N)C[*:1]
C[C@@H]1c2ccccc2O[C@@H]1C(=O)OC[C@H](C#N)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1c2ccccc2O[C@@H]1C(=O)OC[C@H](C#N)[*:1]
CSC[C@H](C)N(C)C(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] CSC[C@H](C)N(C)C(=O)Nc1cccc(c1)[*:1]
CSC[C@H](C)N(C)C(=O)Nc1cccc(OC(F)(F)F)c1 CSC[*:1] C[C@H](N(C)C(=O)Nc1cccc(c1)OC(F)(F)F)[*:1]
CSC[C@H](C)N(C)C(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] CSC[C@H](C)N(C)C(=O)Nc1cccc(c1)O[*:1]
O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cc(Cl)c(Cl)[nH]1 Clc1cc([nH]c1Cl)[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)[*:1]
O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cc(Cl)c(Cl)[nH]1 C1CC1[*:1] O=C(Nc1ccc2nc(oc2c1)[*:1])c1cc(Cl)c(Cl)[nH]1
CCOC(=O)Cc1nc(-c2cnc3ccccc3n2)cs1 CCOC(=O)[*:1] c1ccc2nc(cnc2c1)-c1csc(C[*:1])n1
CCOC(=O)Cc1nc(-c2cnc3ccccc3n2)cs1 CCOC(=O)C[*:1] c1ccc2nc(cnc2c1)-c1csc(n1)[*:1]
CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)n2cccn2)CC1 c1cnn(c1)[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)[C@@H](C)[*:1]
CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)n2cccn2)CC1 C[C@@H](n1cccn1)[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1nc(C[C@@H](O)[C@@H]2CN(C(C)C)CCO2)sc1C CC(C)[*:1] Cc1nc(C[C@@H](O)[C@@H]2CN(CCO2)[*:1])sc1C
CCCc1nc(CSc2ccc(OC)c(OC)c2)no1 CCC[*:1] COc1ccc(cc1OC)SCc1noc(n1)[*:1]
O=C(CSc1ncccn1)Nc1cccc(Br)c1 c1cnc(nc1)[*:1] O=C(CS[*:1])Nc1cccc(Br)c1
C[C@@H](Sc1ncn[nH]1)C(=O)NCCc1ccccc1 c1n[nH]c(n1)[*:1] C[C@@H](S[*:1])C(=O)NCCc1ccccc1
C[C@@H](Sc1ncn[nH]1)C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1ncn[nH]1)C(=O)NCC[*:1]
C[C@@H](Sc1ncn[nH]1)C(=O)NCCc1ccccc1 c1n[nH]c(n1)S[*:1] C[C@@H](C(=O)NCCc1ccccc1)[*:1]
C[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccccc2COC)CC1 CCCCN(C)C(=O)[*:1] COCc1ccccc1NC(=O)N1CCC(CC1)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccccc2COC)CC1 CCC[*:1] COCc1ccccc1NC(=O)N1CCC(CC1)C(=O)N(C)C[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccccc2COC)CC1 COC[*:1] CCCCN(C)C(=O)C1CCN(CC1)C(=O)Nc1ccccc1[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccccc2COC)CC1 CCCC[*:1] COCc1ccccc1NC(=O)N1CCC(CC1)C(=O)N(C)[*:1]
CC(C)COC(=O)N1CCC([NH2+]CCc2nnc3ccccn23)CC1 CC(C)[*:1] O=C(OC[*:1])N1CCC(CC1)[NH2+]CCc1nnc2ccccn12
CC(C)COC(=O)N1CCC([NH2+]CCc2nnc3ccccn23)CC1 CC(C)C[*:1] O=C(O[*:1])N1CCC(CC1)[NH2+]CCc1nnc2ccccn12
CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)c1cnccn1 FC(F)(F)[*:1] CN(C[C@H](O)COc1ccccc1[*:1])C(=O)c1cnccn1
CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)c1cnccn1 c1cnc(cn1)[*:1] CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[*:1]
CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cnc([C@H]2CCCO2)s1 CC(=O)N[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1cnc(s1)[C@H]1CCCO1
O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 c1cc2OCOc2cc1[*:1] O=C(C[*:1])N1CCN(CC1)c1nc2ccc(Cl)cc2s1
Cc1cc(C)n(Cc2ccc(C(=O)N(C)[C@@H]3CCc4ccccc4C3)cc2)n1 Cc1cc(C)n(C[*:1])n1 CN(C(=O)c1ccc(cc1)[*:1])[C@@H]1CCc2ccccc2C1
Cc1cc(C)n(Cc2ccc(C(=O)N(C)[C@@H]3CCc4ccccc4C3)cc2)n1 Cc1cc(C)n(n1)[*:1] CN(C(=O)c1ccc(cc1)C[*:1])[C@@H]1CCc2ccccc2C1
C[C@@H]1SCCC[C@H]1[NH2+]CC[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1SCCC[C@H]1[NH2+]CC[C@@H](C)[*:1]
CCN(C(=O)COc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 c1ccc(cc1)O[*:1] CCN(C(=O)C[*:1])c1nc(cs1)-c1ccc(C)cc1
CCN(C(=O)COc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 c1ccc(cc1)OC[*:1] CCN(C(=O)[*:1])c1nc(cs1)-c1ccc(C)cc1
CCN(C(=O)COc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 Cc1ccc(cc1)[*:1] CCN(C(=O)COc1ccccc1)c1nc(cs1)[*:1]
CCN(C(=O)COc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 c1ccc(cc1)[*:1] CCN(C(=O)CO[*:1])c1nc(cs1)-c1ccc(C)cc1
CCOc1cc(C)ccc1NC(=O)C(=O)Nc1cn[nH]c1 CCO[*:1] Cc1ccc(NC(=O)C(=O)Nc2cn[nH]c2)c(c1)[*:1]
CCOc1cc(C)ccc1NC(=O)C(=O)Nc1cn[nH]c1 c1n[nH]cc1[*:1] CCOc1cc(C)ccc1NC(=O)C(=O)N[*:1]
CCN[C@]1(C#N)CCC[C@H](Oc2ccc3c(c2)CCC3)C1 CCN[*:1] N#C[C@@]1(CCC[C@@H](C1)Oc1ccc2CCCc2c1)[*:1]
Cc1ccc([C@@H](C)CNC(=O)N(C)Cc2nnc(C)n2C)cc1 Cc1ccc(cc1)[*:1] Cc1nnc(CN(C)C(=O)NC[C@H](C)[*:1])n1C
Cc1ccc([C@@H](C)CNC(=O)N(C)Cc2nnc(C)n2C)cc1 Cc1nnc(n1C)[*:1] Cc1ccc(cc1)[C@@H](C)CNC(=O)N(C)C[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H]1CCCc2c1cnn2C CC(C)C(=O)N[*:1] Cc1ccc(cc1NC(=O)N[C@H]1CCCc2c1cnn2C)[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H]1CCCc2c1cnn2C CC(C)[*:1] Cc1ccc(cc1NC(=O)N[C@H]1CCCc2c1cnn2C)NC(=O)[*:1]
CC(=O)c1ccccc1NCCCOc1ccc(C#N)cc1 CC(=O)[*:1] N#Cc1ccc(cc1)OCCCNc1ccccc1[*:1]
Cc1cc(C)nc([C@H]2CCN(C(=O)c3noc4c3CCCC4)C2)n1 Cc1cc(C)nc(n1)[*:1] O=C(c1noc2CCCCc12)N1CC[C@@H](C1)[*:1]
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(/C=N/NC(=O)[*:1])cc1
CNC(=O)c1ccc(CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 CNC(=O)[*:1] O=C(Cc1ccc(cc1)NC(=O)C1CC1)NCc1ccc(cc1)[*:1]
CNC(=O)c1ccc(CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 C1CC1[*:1] CNC(=O)c1ccc(cc1)CNC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CNC(=O)c1ccc(CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 O=C(N[*:1])C1CC1 CNC(=O)c1ccc(cc1)CNC(=O)Cc1ccc(cc1)[*:1]
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc(F)cc1
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)CN(C)S(=O)(=O)[*:1]
Cc1cc([C@@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)n[nH]1 Cc1cc(n[nH]1)[*:1] CC(C)c1nc(c[nH]1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1cc([C@@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)n[nH]1 CC(C)[*:1] Cc1cc(n[nH]1)[C@@H]1CCCN(C1)C(=O)c1c[nH]c(n1)[*:1]
COc1ccccc1-c1nc(-c2ccc(S(N)(=O)=O)cc2)cs1 NS(=O)(=O)[*:1] COc1ccccc1-c1nc(cs1)-c1ccc(cc1)[*:1]
COc1ccc(Cl)cc1C/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 FC(F)(F)[*:1] COc1ccc(Cl)cc1C/C([O-])=N/c1nc(n[nH]1)[*:1]
Cn1ncnc1CCNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 Cn1ncnc1CC[*:1] O=C(N[*:1])c1ccc(cc1)Oc1ccc(F)cc1F
Cn1ncnc1CCNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] Cn1ncnc1CCNC(=O)c1ccc(cc1)O[*:1]
Cn1ncnc1CCNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 Cn1ncnc1[*:1] O=C(NCC[*:1])c1ccc(cc1)Oc1ccc(F)cc1F
Cn1ncnc1CCNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 Cn1ncnc1C[*:1] O=C(NC[*:1])c1ccc(cc1)Oc1ccc(F)cc1F
Cc1nn(CC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)c(C)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nn(CC(=O)c2cc(C)n(NC(=O)[*:1])c2C)c(C)c1[N+](=O)[O-]
Cc1nn(CC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)c(C)c1[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] CC[C@@H](C)NS(=O)(=O)c1ccc(c(Cl)c1)[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 CC[C@@H](C)[*:1] O=S(=O)(N[*:1])c1ccc(OC(F)F)c(Cl)c1
CC[C@@H](C)NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] CC[C@@H](C)NS(=O)(=O)c1ccc(O[*:1])c(Cl)c1
Cc1ccc(N2C[C@H](C(=O)NCC(=O)N3CCCCC3)CCC2=O)cc1C O=C(C[*:1])N1CCCCC1 Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)NCC(=O)N3CCCCC3)CCC2=O)cc1C O=C(N1CCCCC1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@H](C(=O)NCC(=O)N3CCCCC3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NCC(=O)N1CCCCC1)[C@@H]1CCC(=O)N(C1)[*:1]
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccccc4)CC3)cc2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)[C@@H](c1nnnn1C(C)(C)C)N1CCN(CC1)[*:1]
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccccc4)CC3)cc2c1 CC(C)(C)[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)[C@@H](c1nnnn1[*:1])N1CCN(CC1)c1ccccc1
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccccc4)CC3)cc2c1 CC(C)(C)n1nnnc1[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)[C@@H](N1CCN(CC1)c1ccccc1)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)Cn2ccc(C(F)(F)F)n2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1ccc(n1)C(F)(F)F)[C@@H](O)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)Cn2ccc(C(F)(F)F)n2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)Cn1ccc(n1)[*:1]
C[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(-c2ccc(F)cc2)cc1 O=C(N[*:1])c1ccco1 C[C@H](NC(=O)CC[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(-c2ccc(F)cc2)cc1 O=C(NC[*:1])c1ccco1 C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@H](NC(=O)CCNC(=O)c1ccco1)c1ccc(-c2ccc(F)cc2)cc1 c1coc(c1)[*:1] C[C@H](NC(=O)CCNC(=O)[*:1])c1ccc(cc1)-c1ccc(F)cc1
COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccoc4)c(=O)n32)ccc1O O=C(Nc1ccccc1)[*:1] COc1cc(ccc1O)[C@H]1C(=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n21)[*:1]
COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccoc4)c(=O)n32)ccc1O c1cc(co1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)Nc2ccccc2)=C(C)N=c2sc(=C[*:1])c(=O)n21
COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccoc4)c(=O)n32)ccc1O COc1cc(ccc1O)[*:1] CC1N=c2s/c(=C/c3ccoc3)c(=O)n2[C@H](C=1C(=O)Nc1ccccc1)[*:1]
COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccoc4)c(=O)n32)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)N[*:1])=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n21
[NH2+]=C(c1ccc([N+](=O)[O-])cc1)N1CCCCC1 O=[N+]([O-])[*:1] [NH2+]=C(c1ccc(cc1)[*:1])N1CCCCC1
O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(C2=NC=NC3=NC=N[C@H]32)C1 Clc1ccc(cc1Cl)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C1=NC=NC2=NC=N[C@H]21
Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc(C)c1F c1c[nH]c(c1)[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)N1CCC[C@H]1[*:1]
C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1nc(cs1)[*:1]
C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1nc(-c2cccnc2)cs1 O[C@H](c1ccccc1)[*:1] C[C@@H](NC(=O)[*:1])c1nc(cs1)-c1cccnc1
C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1nc(-c2cccnc2)cs1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@H](O)[*:1])c1nc(cs1)-c1cccnc1
Cc1ccc([C@@H](C)[NH2+]Cc2occc2C)cc1F Cc1ccoc1[*:1] Cc1ccc(cc1F)[C@@H](C)[NH2+]C[*:1]
CCN(C[C@H]1COc2ccccc2O1)C(=O)/C=C/c1ccccc1OC COc1ccccc1[*:1] CCN(C[C@H]1COc2ccccc2O1)C(=O)C=C[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)C1(c2ccccc2)CCC1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)C1(CCC1)c1ccccc1
CC(C)(C)N(CC(=O)[O-])C(=O)C1(c2ccccc2)CCC1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)C1(CCC1)c1ccccc1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)C1(c2ccccc2)CCC1 CC(C)(C)[*:1] O=C([O-])CN(C(=O)C1(CCC1)c1ccccc1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)C1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] CC(C)(C)N(CC(=O)[O-])C(=O)C1(CCC1)[*:1]
Cc1nc(CN2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)cs1 Cc1nc(cs1)[*:1] O=C(CCn1cnc2ccccc2c1=O)N1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(CCn1cnc2ccccc2c1=O)N1CCN(CC1)[*:1]
C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OC(F)F)c2)C[C@@H]1O FC(F)O[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)C(=O)Nc1cccc(c1)[*:1]
C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OC(F)F)c2)C[C@@H]1O FC(F)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)C(=O)Nc1cccc(c1)O[*:1]
CN(CC1CCC1)C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 C1CC(C1)C[*:1] CN(C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1)[*:1]
CN(CC1CCC1)C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 C1CC(C1)[*:1] CN(C[*:1])C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1
CCN(CC(C)C)S(=O)(=O)c1ccccc1N CC(C)[*:1] CCN(C[*:1])S(=O)(=O)c1ccccc1N
CCN(CC(C)C)S(=O)(=O)c1ccccc1N CC(C)C[*:1] CCN(S(=O)(=O)c1ccccc1N)[*:1]
C[C@H](CCO)SCc1ccc(Cl)cc1[N+](=O)[O-] C[C@H](CCO)[*:1] O=[N+]([O-])c1cc(Cl)ccc1CS[*:1]
C[C@H](CCO)SCc1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](CCO)SCc1ccc(Cl)cc1[*:1]
C[C@H](CCO)SCc1ccc(Cl)cc1[N+](=O)[O-] OCC[*:1] C[C@H](SCc1ccc(Cl)cc1[N+](=O)[O-])[*:1]
CCOc1ccc([C@@H](C[NH3+])N2CCC(CC)(CC)C2)cc1 CCO[*:1] CCC1(CC)CCN(C1)[C@H](C[NH3+])c1ccc(cc1)[*:1]
CCCN/C(N)=[NH+]/CC[C@@H](C)SC CS[C@H](C)[*:1] CCCN/C(N)=[NH+]/CC[*:1]
CCCN/C(N)=[NH+]/CC[C@@H](C)SC CCC[*:1] CS[C@H](C)CC/[NH+]=C(\N)N[*:1]
C=CCN(Cc1cccs1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C C=CC[*:1] Cn1c(=O)c2c(ncn2CC(=O)N(Cc2cccs2)[*:1])n(C)c1=O
C=CCN(Cc1cccs1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
C=CCN(Cc1cccs1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C c1csc(c1)C[*:1] C=CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC(C)C)C3)s1 CC(C)CC(=O)N[*:1] CC(=O)c1ccc(s1)-c1cc(F)cc2C[C@@H](C[*:1])Oc21
CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC(C)C)C3)s1 CC(C)CC(=O)NC[*:1] CC(=O)c1ccc(s1)-c1cc(F)cc2C[C@@H](Oc21)[*:1]
CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC(C)C)C3)s1 CC(=O)[*:1] CC(C)CC(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(s3)[*:1])c2O1
CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC(C)C)C3)s1 CC(C)C[*:1] CC(=O)c1ccc(s1)-c1cc(F)cc2C[C@@H](CNC(=O)[*:1])Oc21
CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC(C)C)C3)s1 CC(=O)c1ccc(s1)[*:1] CC(C)CC(=O)NC[C@@H]1Cc2cc(F)cc(c2O1)[*:1]
CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC(C)C)C3)s1 CC(C)[*:1] CC(=O)c1ccc(s1)-c1cc(F)cc2C[C@@H](CNC(=O)C[*:1])Oc21
CC(=O)c1c(C)[nH]c(C(=O)NCC(=O)N2CCCC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)NCC(=O)N2CCCC2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)NCC(=O)N2CCCC2)c1C O=C(N1CCCC1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)NC[*:1])c1C
CN(Cc1cccc(C#N)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 N#Cc1cccc(c1)[*:1] CN(C[*:1])C(=O)NCc1cc[nH+]c(c1)N1CCCC1
CN(Cc1cccc(C#N)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 C1CCN(C1)[*:1] CN(Cc1cccc(C#N)c1)C(=O)NCc1cc[nH+]c(c1)[*:1]
CC(C)CN(c1ccc(C#N)cc1F)C1CCCC1 CC(C)[*:1] N#Cc1ccc(c(F)c1)N(C[*:1])C1CCCC1
CC(C)CN(c1ccc(C#N)cc1F)C1CCCC1 CC(C)C[*:1] N#Cc1ccc(c(F)c1)N(C1CCCC1)[*:1]
CC(C)CN(c1ccc(C#N)cc1F)C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(c1ccc(C#N)cc1F)[*:1]
C[C@H](CCN1CCOCC1)N[C@@H]1CCOc2ccc(Br)cc21 C1CN(CCO1)[*:1] C[C@H](CC[*:1])N[C@@H]1CCOc2ccc(Br)cc21
C[C@H](CCN1CCOCC1)N[C@@H]1CCOc2ccc(Br)cc21 C1CN(CCO1)C[*:1] C[C@H](C[*:1])N[C@@H]1CCOc2ccc(Br)cc21
Cc1c([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])[N-]S(=O)(=O)c1cc2CC(=O)Nc2cc1Cl
CC(=O)Nc1ccc(/C=C/C(=O)N2[C@@H](C)COC[C@@H]2C)cc1 CC(=O)N[*:1] C[C@H]1COC[C@H](C)N1C(=O)/C=C/c1ccc(cc1)[*:1]
Cn1ncc(C(=O)NCCOc2cccc(F)c2)c1-n1cccc1 c1ccn(c1)[*:1] Cn1ncc(C(=O)NCCOc2cccc(F)c2)c1[*:1]
Cn1ncc(C(=O)NCCOc2cccc(F)c2)c1-n1cccc1 Fc1cccc(c1)[*:1] Cn1ncc(C(=O)NCCO[*:1])c1-n1cccc1
Cn1ncc(C(=O)NCCOc2cccc(F)c2)c1-n1cccc1 Fc1cccc(c1)O[*:1] Cn1ncc(C(=O)NCC[*:1])c1-n1cccc1
O=C(NNc1ccc(-c2ccccc2)nn1)[C@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(NNc1ccc(nn1)[*:1])[C@H]1CCCc2ccccc21
c1ccc(-n2cc(CN3C[C@H]4CC[C@@H]3CN(Cc3cscn3)C4)cn2)cc1 c1nc(cs1)[*:1] c1ccc(cc1)-n1cc(cn1)CN1C[C@H]2CC[C@@H]1CN(C2)C[*:1]
c1ccc(-n2cc(CN3C[C@H]4CC[C@@H]3CN(Cc3cscn3)C4)cn2)cc1 c1ccc(cc1)[*:1] c1nc(cs1)CN1C[C@@H]2CC[C@H](C1)N(Cc1cnn(c1)[*:1])C2
c1ccc(-n2cc(CN3C[C@H]4CC[C@@H]3CN(Cc3cscn3)C4)cn2)cc1 c1nc(cs1)C[*:1] c1ccc(cc1)-n1cc(cn1)CN1C[C@H]2CC[C@@H]1CN(C2)[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)NC[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)NCc1ncn(C)n1 CC(C)[*:1] C[C@H]1CC[C@H]([C@@H](C1)NC(=O)NCc1ncn(C)n1)[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)NCc1ncn(C)n1 Cn1cnc(C[*:1])n1 CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)N[*:1]
CS(=O)(=O)NCCCN1CCO[C@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CS(=O)(=O)NCCCN1CCO[C@H](C1)[*:1]
CS(=O)(=O)NCCCN1CCO[C@H](c2cccc(F)c2)C1 CS(=O)(=O)N[*:1] Fc1cccc(c1)[C@@H]1CN(CCC[*:1])CCO1
CS(=O)(=O)NCCCN1CCO[C@H](c2cccc(F)c2)C1 CS(=O)(=O)NCC[*:1] Fc1cccc(c1)[C@@H]1CN(CCO1)C[*:1]
CS(=O)(=O)NCCCN1CCO[C@H](c2cccc(F)c2)C1 CS(=O)(=O)NC[*:1] Fc1cccc(c1)[C@@H]1CN(CCO1)CC[*:1]
C[C@H]1CN(C(=O)COC(=O)/C=C/c2ccco2)C[C@@H](C)O1 c1coc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)COC(=O)C=C[*:1]
C[C@H]1CN(C(=O)COC(=O)/C=C/c2ccco2)C[C@@H](C)O1 C(=C[*:1])c1ccco1 C[C@H]1CN(C[C@@H](C)O1)C(=O)COC(=O)[*:1]
Cc1occc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1occc1C(=O)NNC(=O)c1cccc(c1C)[*:1]
Cc1occc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1C Cc1occc1[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NNC(=O)[*:1]
C#CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1cc(F)ccc1F C#CC[*:1] O=C1C[C@H](c2cc(F)ccc2F)[C@H]2C(=O)N=C(N=C2N1)S[*:1]
C#CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] C#CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2[*:1]
C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H](C(=O)[O-])O2)C[C@H]1C O=C([O-])[*:1] C[C@@H]1CN(C[C@H]1C)C(=O)NC[C@@H]1CC[C@H](O1)[*:1]
CN(C)C(=O)[C@@H]1CN(Cc2cccc(Oc3ccccc3)c2)CCN1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H]1CN(CCN1)Cc1cccc(c1)O[*:1]
CN(C)C(=O)[C@@H]1CN(Cc2cccc(Oc3ccccc3)c2)CCN1 c1ccc(cc1)O[*:1] CN(C)C(=O)[C@@H]1CN(CCN1)Cc1cccc(c1)[*:1]
CN(C)C(=O)[C@@H]1CN(Cc2cccc(Oc3ccccc3)c2)CCN1 CN(C)C(=O)[*:1] c1ccc(cc1)Oc1cccc(c1)CN1CCN[C@@H](C1)[*:1]
COc1ccc(-n2nc3c(c2NC(C)=O)C[S@](=O)C3)cc1 CC(=O)N[*:1] COc1ccc(cc1)-n1nc2C[S@@](=O)Cc2c1[*:1]
CC[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC[NH2+]CC(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](NC(=O)[C@H](C)CCc1cccc(F)c1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)[C@H](C)CCc1cccc(F)c1)[*:1]
CC[C@@H](NC(=O)[C@H](C)CCc1cccc(F)c1)c1ccncc1 Fc1cccc(c1)[*:1] CC[C@@H](NC(=O)[C@H](C)CC[*:1])c1ccncc1
C=CCn1nnnc1NCc1cccc([N+](=O)[O-])c1 C=CC[*:1] O=[N+]([O-])c1cccc(c1)CNc1nnnn1[*:1]
C=CCn1nnnc1NCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C=CCn1nnnc1NCc1cccc(c1)[*:1]
CCOCc1ccccc1CNC(=O)NCc1nccc2ccccc12 CCOC[*:1] O=C(NCc1ccccc1[*:1])NCc1nccc2ccccc12
CCOCc1ccccc1CNC(=O)NCc1nccc2ccccc12 CCO[*:1] O=C(NCc1ccccc1C[*:1])NCc1nccc2ccccc12
COC(=O)c1cccc(NC(=O)c2scnc2C2CC2)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1scnc1C1CC1
COC(=O)c1cccc(NC(=O)c2scnc2C2CC2)c1 C1CC1[*:1] COC(=O)c1cccc(c1)NC(=O)c1scnc1[*:1]
O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] O=C(c1cccc(c1)S(=O)(=O)[N-]c1ccccc1F)N1CCC[C@H]1[*:1]
CCOC(=O)Cn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C)c(C)cc21 CCOC(=O)C[*:1] Cc1cc2s/c(=N\C(=O)[C@H]3CCCN(C3)S(C)(=O)=O)n(c2cc1C)[*:1]
CCOC(=O)Cn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C)c(C)cc21 CCOC(=O)[*:1] Cc1cc2s/c(=N\C(=O)[C@H]3CCCN(C3)S(C)(=O)=O)n(C[*:1])c2cc1C
Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)[C@H](CC(=O)Nc2ccc(cc2)C(=O)[O-])SC1=N[*:1]
Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1 O=C([O-])[*:1] Cc1ccc(cc1)/N=C1/S[C@@H](CC(=O)Nc2ccc(cc2)[*:1])C(=O)N1C
Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1 O=C([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)/N=C1/S[C@@H](CC(=O)N[*:1])C(=O)N1C
CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)cc1 CCC(C)(C)[*:1] C[C@H](Nc1ccc(cc1)N1CCCC1=O)C(=O)N[*:1]
CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(cc1)[*:1]
Cc1cc(C)cc(NC(=S)NC(=O)CC2CCCC2)c1 C1CCC(C1)C[*:1] Cc1cc(C)cc(c1)NC(=S)NC(=O)[*:1]
Cc1cc(C)cc(NC(=S)NC(=O)CC2CCCC2)c1 C1CCC(C1)[*:1] Cc1cc(C)cc(c1)NC(=S)NC(=O)C[*:1]
Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(Cl)cc2)c(F)c1 Cc1ccc(c(F)c1)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1ccc(Cl)cc1
Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(Cl)cc2)c(F)c1 Clc1ccc(cc1)C[*:1] Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)[*:1])c(F)c1
Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(Cl)cc2)c(F)c1 Clc1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)C[*:1])c(F)c1
C#CCNC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 CC(C)O[*:1] C#CCNC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
C#CCNC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 C#CC[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)N[*:1]
C#CCNC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 CC(C)[*:1] C#CCNC(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCC[C@H](C1)C(F)(F)F
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)[C@@H]1CCC[C@@H](C1)[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)NC(C)(C)Cc1ccc(Br)cc1 c1cc(co1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NC(C)(C)Cc1ccc(Br)cc1
C[C@@H](NC(=O)c1ccoc1)C(=O)NC(C)(C)Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)NC(C)(C)C[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)NC(C)(C)Cc1ccc(Br)cc1 Brc1ccc(cc1)C[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)NC(C)(C)[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)NC(C)(C)Cc1ccc(Br)cc1 O=C(N[*:1])c1ccoc1 C[C@@H](C(=O)NC(C)(C)Cc1ccc(Br)cc1)[*:1]
O=C(NCc1ccn(C2CCCC2)n1)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=C(NCc1ccn(n1)C1CCCC1)N1CCN(CC1)[*:1]
O=C(NCc1ccn(C2CCCC2)n1)N1CCN(c2ncccc2F)CC1 C1CCC(C1)[*:1] O=C(NCc1ccn(n1)[*:1])N1CCN(CC1)c1ncccc1F
Cc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)NCCc3c[nH]c4ccccc34)cc2oc1=O c1ccc2c(c[nH]c2c1)[*:1] Cc1c(C)c2cc(Cl)c(cc2oc1=O)O[C@H](C)C(=O)NCC[*:1]
Cc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)NCCc3c[nH]c4ccccc34)cc2oc1=O c1ccc2c(c[nH]c2c1)C[*:1] Cc1c(C)c2cc(Cl)c(cc2oc1=O)O[C@H](C)C(=O)NC[*:1]
Cc1nnsc1C(=O)N1CCC[C@@H]([C@@H]2CC(=O)c3cc(F)ccc3O2)C1 Cc1nnsc1[*:1] O=C1C[C@H](Oc2ccc(F)cc21)[C@@H]1CCCN(C1)C(=O)[*:1]
CSC[C@H](CCO)NC(=O)Nc1cc(Br)cn(C)c1=O OCC[*:1] CSC[C@H](NC(=O)Nc1cc(Br)cn(C)c1=O)[*:1]
CSC[C@H](CCO)NC(=O)Nc1cc(Br)cn(C)c1=O CSC[*:1] Cn1cc(Br)cc(NC(=O)N[C@@H](CCO)[*:1])c1=O
C[C@H](NC(=O)N1CC[C@H](C)[C@H](O)C1)c1ccco1 c1coc(c1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)N[C@@H](C)[*:1]
C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1cccnc1 c1cncc(c1)[*:1] C[C@H](NCc1c(F)cccc1[N+](=O)[O-])[*:1]
C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1cccnc1 O=[N+]([O-])[*:1] C[C@H](NCc1c(F)cccc1[*:1])c1cccnc1
CCC(CC)[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 FC(F)[*:1] CCC(CC)[C@H](C(=O)[O-])c1ccc(cc1)O[*:1]
CCC(CC)[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 FC(F)O[*:1] CCC(CC)[C@H](C(=O)[O-])c1ccc(cc1)[*:1]
CCC(CC)[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 CCC(CC)[*:1] O=C([O-])[C@H](c1ccc(cc1)OC(F)F)[*:1]
CCC(CC)[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 O=C([O-])[*:1] CCC(CC)[C@H](c1ccc(cc1)OC(F)F)[*:1]
CC(=O)Nc1cccc(OCCNC(=O)N2CCCC2)c1 CC(=O)N[*:1] O=C(NCCOc1cccc(c1)[*:1])N1CCCC1
CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1Cl CCN(CC)S(=O)(=O)[*:1] O=C(NCc1ccco1)c1ccc(Cl)c(c1)[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1Cl c1coc(c1)C[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1Cl c1coc(c1)[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC[*:1]
COc1cc(F)c([C@@H](C)NC(=O)N(C)[C@H](C)CSC)cc1OC CSC[*:1] COc1cc(F)c(cc1OC)[C@@H](C)NC(=O)N(C)[C@H](C)[*:1]
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H]1C[C@H]2CC[C@@H]1C2 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])N[C@H]1C[C@H]2CC[C@@H]1C2
COCCOCC[NH+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 COC[*:1] Fc1ccc2c(c[nH]c2c1)C1=CC[NH+](CCOC[*:1])CC1
COCCOCC[NH+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 COCC[*:1] Fc1ccc2c(c[nH]c2c1)C1=CC[NH+](CCO[*:1])CC1
COCCOCC[NH+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 COCCO[*:1] Fc1ccc2c(c[nH]c2c1)C1=CC[NH+](CC1)CC[*:1]
COCCOCC[NH+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 COCCOCC[*:1] Fc1ccc2c(c[nH]c2c1)C1=CC[NH+](CC1)[*:1]
COCCOCC[NH+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 COCCOC[*:1] Fc1ccc2c(c[nH]c2c1)C1=CC[NH+](CC1)C[*:1]
COCCn1c(C)cc(C(=O)CSc2ccc3c(c2)OCCCO3)c1C COCC[*:1] Cc1cc(C(=O)CSc2ccc3OCCCOc3c2)c(C)n1[*:1]
COCCn1c(C)cc(C(=O)CSc2ccc3c(c2)OCCCO3)c1C COC[*:1] Cc1cc(C(=O)CSc2ccc3OCCCOc3c2)c(C)n1C[*:1]
Cc1cc(C(=O)N2CCN(CCCc3cnn(C)c3)CC2)c(C)o1 Cn1cc(cn1)CC[*:1] Cc1cc(C(=O)N2CCN(CC2)C[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(CCCc3cnn(C)c3)CC2)c(C)o1 Cn1cc(cn1)[*:1] Cc1cc(C(=O)N2CCN(CCC[*:1])CC2)c(C)o1
Cc1cc(C(=O)N2CCN(CCCc3cnn(C)c3)CC2)c(C)o1 Cn1cc(cn1)C[*:1] Cc1cc(C(=O)N2CCN(CC2)CC[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(CCCc3cnn(C)c3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cn1cc(cn1)CCCN1CCN(CC1)C(=O)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)CC2CCC2)cc1 C1CC(C1)[*:1] CC(C)CC(=O)Nc1ccc(cc1)NC(=O)C[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)CC2CCC2)cc1 C1CC(C1)C[*:1] CC(C)CC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)CC2CCC2)cc1 CC(C)C[*:1] O=C(CC1CCC1)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)CC2CCC2)cc1 CC(C)[*:1] O=C(CC1CCC1)Nc1ccc(cc1)NC(=O)C[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)CC2CCC2)cc1 CC(C)CC(=O)N[*:1] O=C(CC1CCC1)Nc1ccc(cc1)[*:1]
CCCN1CCC[C@@]2(CCN(c3cc[nH+]cc3)C2)C1=O CCC[*:1] O=C1N(CCC[C@@]12CCN(C2)c1cc[nH+]cc1)[*:1]
C[C@@H](CCC1CCCC1)NC(=O)N1CCN(c2cccc[nH+]2)CC1 C1CCC(C1)C[*:1] C[C@@H](C[*:1])NC(=O)N1CCN(CC1)c1cccc[nH+]1
C[C@@H](CCC1CCCC1)NC(=O)N1CCN(c2cccc[nH+]2)CC1 C1CCC(C1)[*:1] C[C@@H](CC[*:1])NC(=O)N1CCN(CC1)c1cccc[nH+]1
C[C@@H](CCC1CCCC1)NC(=O)N1CCN(c2cccc[nH+]2)CC1 C1CCC(C1)CC[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
CC[C@@H](C)N1C(=O)CNC(=O)C1(C)C CC[C@@H](C)[*:1] CC1(C)C(=O)NCC(=O)N1[*:1]
C[C@@H]1CC=CC[C@@H]1COC(=O)CCc1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H]1CC=CC[C@@H]1COC(=O)CC[*:1]
CC[C@H](NC(=O)COc1cc(C(C)C)ccc1C)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@H](NC(=O)COc1cc(ccc1C)C(C)C)[*:1]
CC[C@H](NC(=O)COc1cc(C(C)C)ccc1C)c1nc(C)n[nH]1 CC(C)[*:1] CC[C@H](NC(=O)COc1cc(ccc1C)[*:1])c1nc(C)n[nH]1
CNc1cc(C[C@H](NC(=O)c2ncc[nH]2)c2cccc(C)c2)nc(C2CC2)n1 O=C(N[*:1])c1ncc[nH]1 CNc1cc(C[C@H](c2cccc(C)c2)[*:1])nc(n1)C1CC1
CNc1cc(C[C@H](NC(=O)c2ncc[nH]2)c2cccc(C)c2)nc(C2CC2)n1 c1c[nH]c(n1)[*:1] CNc1cc(C[C@H](NC(=O)[*:1])c2cccc(C)c2)nc(n1)C1CC1
CNc1cc(C[C@H](NC(=O)c2ncc[nH]2)c2cccc(C)c2)nc(C2CC2)n1 Cc1cccc(c1)[*:1] CNc1cc(C[C@H](NC(=O)c2ncc[nH]2)[*:1])nc(n1)C1CC1
CNc1cc(C[C@H](NC(=O)c2ncc[nH]2)c2cccc(C)c2)nc(C2CC2)n1 C1CC1[*:1] CNc1cc(C[C@H](NC(=O)c2ncc[nH]2)c2cccc(C)c2)nc(n1)[*:1]
CCCn1nc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)ccc1=O C1CC1[*:1] CCCn1nc(ccc1=O)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
CCCn1nc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)ccc1=O CCC[*:1] Cn1c(nc2cc(ccc21)NC(=O)c1ccc(=O)n(n1)[*:1])C1CC1
Cc1ccoc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 Cc1ccoc1[*:1] O=C(N1CC[NH+](CC1)Cc1ccc2OCCOc2c1)[*:1]
Cc1cc(SCCCSCC#N)nc2ccccc12 N#CCSCC[*:1] Cc1cc(nc2ccccc12)SC[*:1]
Cc1cc(SCCCSCC#N)nc2ccccc12 N#CC[*:1] Cc1cc(nc2ccccc12)SCCCS[*:1]
Cc1cc(SCCCSCC#N)nc2ccccc12 N#CCS[*:1] Cc1cc(nc2ccccc12)SCCC[*:1]
Cc1cc(SCCCSCC#N)nc2ccccc12 N#CCSC[*:1] Cc1cc(nc2ccccc12)SCC[*:1]
C[C@@H]1[NH+]=c2ccc(F)cc2=C1CCNC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 Clc1ccc(cc1Cl)[*:1] C[C@@H]1[NH+]=c2ccc(F)cc2=C1CCNC(=O)C1CCN(CC1)C(=O)[*:1]
CCC[C@@H](C#N)[C@@H](O)c1cccc(COC)c1 COC[*:1] CCC[C@@H](C#N)[C@@H](O)c1cccc(c1)[*:1]
CCC[C@@H](C#N)[C@@H](O)c1cccc(COC)c1 CCC[*:1] COCc1cccc(c1)[C@H](O)[C@H](C#N)[*:1]
CCC(CC)[C@@H](CNC(=O)Nc1cc(F)ccc1F)N1CCOCC1 C1CN(CCO1)[*:1] CCC(CC)[C@@H](CNC(=O)Nc1cc(F)ccc1F)[*:1]
CCC(CC)[C@@H](CNC(=O)Nc1cc(F)ccc1F)N1CCOCC1 Fc1ccc(F)c(c1)[*:1] CCC(CC)[C@@H](CNC(=O)N[*:1])N1CCOCC1
CCC(CC)[C@@H](CNC(=O)Nc1cc(F)ccc1F)N1CCOCC1 CCC(CC)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])Nc1cc(F)ccc1F
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCCC[C@@H]3CO)c2)cc1 N#Cc1ccc(cc1)O[*:1] O=C(Nc1cccc(c1)[*:1])N[C@H]1CCCC[C@@H]1CO
N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCCC[C@@H]3CO)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)O[*:1])N[C@H]1CCCC[C@@H]1CO
O=C([O-])C[NH+]1CCC2(CC(CBr)C2)C1 O=C([O-])[*:1] BrCC1CC2(CC[NH+](C2)C[*:1])C1
O=C([O-])C[NH+]1CCC2(CC(CBr)C2)C1 O=C([O-])C[*:1] BrCC1CC2(CC[NH+](C2)[*:1])C1
COC(=O)c1sccc1S(=O)(=O)N(C)[C@@H](C)CC(C)C CC(C)[*:1] COC(=O)c1sccc1S(=O)(=O)N(C)[C@@H](C)C[*:1]
COC(=O)c1sccc1S(=O)(=O)N(C)[C@@H](C)CC(C)C CC(C)C[C@H](C)[*:1] COC(=O)c1sccc1S(=O)(=O)N(C)[*:1]
COC(=O)c1sccc1S(=O)(=O)N(C)[C@@H](C)CC(C)C COC(=O)[*:1] CC(C)C[C@H](C)N(C)S(=O)(=O)c1ccsc1[*:1]
COC(=O)c1sccc1S(=O)(=O)N(C)[C@@H](C)CC(C)C CC(C)C[*:1] COC(=O)c1sccc1S(=O)(=O)N(C)[C@@H](C)[*:1]
Cc1cc2nc(/C(C#N)=C/C=C/c3ccccc3)[nH]c2cc1C c1ccc(cc1)[*:1] Cc1cc2nc([nH]c2cc1C)/C(C#N)=C/C=C[*:1]
Cc1nccn1-c1ccc(N)c(OCC2CC2)n1 C1CC1CO[*:1] Cc1nccn1-c1ccc(N)c(n1)[*:1]
Cc1nccn1-c1ccc(N)c(OCC2CC2)n1 C1CC1[*:1] Cc1nccn1-c1ccc(N)c(n1)OC[*:1]
Cc1nccn1-c1ccc(N)c(OCC2CC2)n1 Cc1nccn1[*:1] Nc1ccc(nc1OCC1CC1)[*:1]
Cc1nccn1-c1ccc(N)c(OCC2CC2)n1 C1CC1C[*:1] Cc1nccn1-c1ccc(N)c(n1)O[*:1]
Cn1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cn1 O=S1(=O)CC[C@@H](C1)[*:1] Cn1cc(cn1)C(=O)N1CCN(CC1)[*:1]
Cn1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cn1 Cn1cc(cn1)[*:1] O=C(N1CCN(CC1)[C@H]1CCS(=O)(=O)C1)[*:1]
CCOC(=O)[C@H]1C[C@](O)(c2ccccc2)CCN1 CCOC(=O)[*:1] O[C@]1(CCN[C@H](C1)[*:1])c1ccccc1
CCOC(=O)[C@H]1C[C@](O)(c2ccccc2)CCN1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1C[C@](O)(CCN1)[*:1]
COC[C@H](C)CNC(=O)c1cc(C(F)(F)F)ccc1NN COC[C@H](C)C[*:1] NNc1ccc(cc1C(=O)N[*:1])C(F)(F)F
COC[C@H](C)CNC(=O)c1cc(C(F)(F)F)ccc1NN COC[C@H](C)[*:1] NNc1ccc(cc1C(=O)NC[*:1])C(F)(F)F
COC[C@H](C)CNC(=O)c1cc(C(F)(F)F)ccc1NN FC(F)(F)[*:1] COC[C@H](C)CNC(=O)c1cc(ccc1NN)[*:1]
COC[C@H](C)CNC(=O)c1cc(C(F)(F)F)ccc1NN COC[*:1] C[C@H](CNC(=O)c1cc(ccc1NN)C(F)(F)F)[*:1]
CC(C)(C)c1ccc(NC(=O)NC(=O)c2ccc([N+](=O)[O-])s2)cc1 O=[N+]([O-])c1ccc(s1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)NC(=O)[*:1]
CC(C)(C)c1ccc(NC(=O)NC(=O)c2ccc([N+](=O)[O-])s2)cc1 O=[N+]([O-])[*:1] CC(C)(C)c1ccc(cc1)NC(=O)NC(=O)c1ccc(s1)[*:1]
CC(C)(C)c1ccc(NC(=O)NC(=O)c2ccc([N+](=O)[O-])s2)cc1 CC(C)(C)[*:1] O=C(NC(=O)c1ccc(s1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
CN(Cc1nccs1)C(=O)COc1ccccc1C#N c1csc(C[*:1])n1 CN(C(=O)COc1ccccc1C#N)[*:1]
CN(Cc1nccs1)C(=O)COc1ccccc1C#N c1csc(n1)[*:1] CN(C[*:1])C(=O)COc1ccccc1C#N
CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)[nH+]1 Cc1ccc(=O)n(C[*:1])n1 CCc1cc(nc([nH+]1)C1CCN(CC1)C(=O)[*:1])N1CCOCC1
CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)[nH+]1 Cc1ccc(=O)n(n1)[*:1] CCc1cc(nc([nH+]1)C1CCN(CC1)C(=O)C[*:1])N1CCOCC1
CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)[nH+]1 C1CN(CCO1)[*:1] CCc1cc(nc([nH+]1)C1CCN(CC1)C(=O)Cn1nc(C)ccc1=O)[*:1]
COc1cccc(-c2cc(CC3(O)CC[NH+](C4CCCCCC4)CC3)on2)c1 C1CCCC(CC1)[*:1] COc1cccc(c1)-c1cc(CC2(O)CC[NH+](CC2)[*:1])on1
COc1cccc(-c2cc(CC3(O)CC[NH+](C4CCCCCC4)CC3)on2)c1 COc1cccc(c1)[*:1] OC1(CC[NH+](CC1)C1CCCCCC1)Cc1cc(no1)[*:1]
C[NH+]1CCN(c2ccccc2NC(=O)NCCN2CCOCC2)CC1 C1CN(CCO1)CC[*:1] C[NH+]1CCN(CC1)c1ccccc1NC(=O)N[*:1]
C[NH+]1CCN(c2ccccc2NC(=O)NCCN2CCOCC2)CC1 C1CN(CCO1)C[*:1] C[NH+]1CCN(CC1)c1ccccc1NC(=O)NC[*:1]
C[NH+]1CCN(c2ccccc2NC(=O)NCCN2CCOCC2)CC1 C1CN(CCO1)[*:1] C[NH+]1CCN(CC1)c1ccccc1NC(=O)NCC[*:1]
O=S(=O)(Cc1ccccc1Cl)NC[C@@H]1CN2CCCC[C@@H]2CO1 Clc1ccccc1[*:1] O=S(=O)(C[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
CN1C(=O)c2ccc(NC(=O)COc3ccc(Br)cc3Br)cc2C1=O Brc1ccc(c(Br)c1)[*:1] CN1C(=O)c2ccc(cc2C1=O)NC(=O)CO[*:1]
COc1cc(/C=C/C(=O)c2cnn(C)c2)cc(Br)c1OC(F)F Cn1cc(cn1)[*:1] COc1cc(/C=C/C(=O)[*:1])cc(Br)c1OC(F)F
COc1cc(/C=C/C(=O)c2cnn(C)c2)cc(Br)c1OC(F)F FC(F)[*:1] COc1cc(/C=C/C(=O)c2cnn(C)c2)cc(Br)c1O[*:1]
COc1cc(/C=C/C(=O)c2cnn(C)c2)cc(Br)c1OC(F)F FC(F)O[*:1] COc1cc(/C=C/C(=O)c2cnn(C)c2)cc(Br)c1[*:1]
O=[N+]([O-])c1ccc(-n2nnc3ccccc32)c(Cl)c1 O=[N+]([O-])[*:1] Clc1cc(ccc1-n1nnc2ccccc21)[*:1]
CCCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2ccc(C(F)(F)F)cc21 CCC[*:1] CC(C)(C)NC(=O)NC(=O)CSc1nc2ccc(cc2n1[*:1])C(F)(F)F
CCCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2ccc(C(F)(F)F)cc21 CC(C)(C)[*:1] CCCn1c(nc2ccc(cc21)C(F)(F)F)SCC(=O)NC(=O)N[*:1]
CCCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2ccc(C(F)(F)F)cc21 FC(F)(F)[*:1] CCCn1c(nc2ccc(cc21)[*:1])SCC(=O)NC(=O)NC(C)(C)C
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1conc1-c1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1O)[*:1])c1conc1-c1ccc(Cl)cc1
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1conc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1cc(ccc1O)[N+](=O)[O-])c1conc1[*:1]
CNC(=O)c1ccccc1NCc1ccc(SC(=O)N(C)C)cc1 CN(C)C(=O)S[*:1] CNC(=O)c1ccccc1NCc1ccc(cc1)[*:1]
CNC(=O)c1ccccc1NCc1ccc(SC(=O)N(C)C)cc1 CNC(=O)[*:1] CN(C)C(=O)Sc1ccc(cc1)CNc1ccccc1[*:1]
[NH3+]C[C@H]1Cc2cc(-c3ccc(C(=O)N4CCCCC4)o3)cc(F)c2O1 O=C(N1CCCCC1)[*:1] [NH3+]C[C@H]1Cc2cc(cc(F)c2O1)-c1ccc(o1)[*:1]
O=C(NNc1cccc(C(F)(F)F)n1)c1cc2cccc(Cl)c2o1 FC(F)(F)[*:1] O=C(NNc1cccc(n1)[*:1])c1cc2cccc(Cl)c2o1
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1[N+](=O)[O-] O=C([O-])[*:1] COc1ccc(cc1NC(=O)c1ccccc1[N+](=O)[O-])[*:1]
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1ccccc1[*:1])C(=O)[O-]
C=CCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C=CCN1C(=O)c2ccccc2N[C@@]1(C)[*:1]
C=CCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(Cl)cc1 C=CC[*:1] C[C@@]1(Nc2ccccc2C(=O)N1[*:1])c1ccc(Cl)cc1
CCCN1CCO[C@@H](c2noc([C@H]3C=C[C@@H]([NH3+])C3)n2)C1 CCC[*:1] [NH3+][C@@H]1C=C[C@@H](C1)c1nc(no1)[C@H]1CN(CCO1)[*:1]
CCOC(=O)c1nc(CN2CCNC[C@H]2C#N)cs1 CCOC(=O)[*:1] N#C[C@@H]1CNCCN1Cc1csc(n1)[*:1]
COc1ccc(-c2nc(C[S@](=O)CC(=O)NC(C)C)c(C)o2)cc1 CC(C)NC(=O)[*:1] COc1ccc(cc1)-c1nc(C[S@](=O)C[*:1])c(C)o1
COc1ccc(-c2nc(C[S@](=O)CC(=O)NC(C)C)c(C)o2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nc(C[S@](=O)CC(=O)N[*:1])c(C)o1
COc1ccc(-c2nc(C[S@](=O)CC(=O)NC(C)C)c(C)o2)cc1 COc1ccc(cc1)[*:1] Cc1oc(nc1C[S@](=O)CC(=O)NC(C)C)[*:1]
COc1ccc(-c2nc(C[S@](=O)CC(=O)NC(C)C)c(C)o2)cc1 CC(C)NC(=O)C[*:1] COc1ccc(cc1)-c1nc(C[S@](=O)[*:1])c(C)o1
CCCCNC(=O)NCCCN1CC[NH2+]CC1 CCCC[*:1] O=C(NCCCN1CC[NH2+]CC1)N[*:1]
CCCCNC(=O)NCCCN1CC[NH2+]CC1 CCC[*:1] O=C(NCCCN1CC[NH2+]CC1)NC[*:1]
Cc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[*:1]
CCN(CCC#N)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl N#CCC[*:1] CCN(S(=O)(=O)c1cc(c(C)cc1Cl)[N+](=O)[O-])[*:1]
CCN(CCC#N)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl N#CC[*:1] CCN(C[*:1])S(=O)(=O)c1cc(c(C)cc1Cl)[N+](=O)[O-]
CCN(CCC#N)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl O=[N+]([O-])[*:1] CCN(CCC#N)S(=O)(=O)c1cc(c(C)cc1Cl)[*:1]
C[C@H](Nc1cc(N2CC[NH+](C)CC2)nc(N)n1)c1ccccc1-n1cccn1 c1cnn(c1)[*:1] C[C@H](Nc1cc(nc(N)n1)N1CC[NH+](C)CC1)c1ccccc1[*:1]
CCCCNC(=O)NNC(=O)COc1ccc(F)cc1F CCC[*:1] O=C(COc1ccc(F)cc1F)NNC(=O)NC[*:1]
CCCCNC(=O)NNC(=O)COc1ccc(F)cc1F CCCC[*:1] O=C(COc1ccc(F)cc1F)NNC(=O)N[*:1]
CO[C@H](C)c1cccc(NC(=O)C(C)(C)c2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] CO[C@H](C)c1cccc(c1)NC(=O)C(C)(C)[*:1]
CO[C@H](C)c1cccc(NC(=O)C(C)(C)c2cccc(C#N)c2)c1 CO[C@H](C)[*:1] CC(C)(C(=O)Nc1cccc(c1)[*:1])c1cccc(C#N)c1
Cc1ccc(C(=O)N2CCc3nc(NC(=O)c4cc(C)on4)sc3C2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)C(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
Cc1ccc(C(=O)N2CCc3nc(NC(=O)c4cc(C)on4)sc3C2)cc1 Cc1cc(no1)C(=O)N[*:1] Cc1ccc(cc1)C(=O)N1CCc2nc(sc2C1)[*:1]
Cc1ccc(C(=O)N2CCc3nc(NC(=O)c4cc(C)on4)sc3C2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(no1)C(=O)Nc1nc2CCN(Cc2s1)C(=O)[*:1]
Cc1nc(CN2CCN(C(=O)[C@@H]3SCCc4ccccc43)CC2)no1 Cc1nc(no1)[*:1] O=C([C@@H]1SCCc2ccccc21)N1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(C(=O)[C@@H]3SCCc4ccccc43)CC2)no1 Cc1nc(C[*:1])no1 O=C([C@@H]1SCCc2ccccc21)N1CCN(CC1)[*:1]
NC(=O)NCc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 NC(=O)NC[*:1] O=C(NC[C@H]1COc2ccccc2O1)c1ccc(cc1)[*:1]
NC(=O)NCc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 NC(=O)N[*:1] O=C(NC[C@H]1COc2ccccc2O1)c1ccc(cc1)C[*:1]
CCc1nn(C)c(OC)c1CNC(=O)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)Nc1ccccc1[*:1]
O=Cc1cn(C[C@@H](O)COc2ccccc2Cl)c2ccccc12 Clc1ccccc1[*:1] O=Cc1cn(C[C@@H](O)CO[*:1])c2ccccc12
N#Cc1cccc(-c2ncnn2Cc2nn(-c3ccccc3)c3c2CCC3)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)-c1ncnn1Cc1nn(c2CCCc12)[*:1]
N#Cc1cccc(-c2ncnn2Cc2nn(-c3ccccc3)c3c2CCC3)c1 N#Cc1cccc(c1)[*:1] c1ccc(cc1)-n1nc(Cn2ncnc2[*:1])c2CCCc21
C[C@H](NC(=O)N[C@H](C)Cc1cccs1)[C@@H](C)CO C[C@H]([C@@H](C)CO)[*:1] C[C@H](Cc1cccs1)NC(=O)N[*:1]
C[C@H](NC(=O)N[C@H](C)Cc1cccs1)[C@@H](C)CO C[C@@H](CO)[*:1] C[C@H](NC(=O)N[C@H](C)Cc1cccs1)[*:1]
C[C@H](NC(=O)N[C@H](C)Cc1cccs1)[C@@H](C)CO c1csc(c1)C[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])[C@@H](C)CO
C[C@H](NC(=O)N[C@H](C)Cc1cccs1)[C@@H](C)CO c1csc(c1)[*:1] C[C@H](NC(=O)N[C@H](C)C[*:1])[C@@H](C)CO
COc1ccccc1OCC[C@H](CO)c1ccccc1F Fc1ccccc1[*:1] COc1ccccc1OCC[C@H](CO)[*:1]
Cn1nc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c2ccccc2c1=O C1CCN(CC1)[*:1] Cn1nc(C(=O)Nc2cc(Cl)ccc2[*:1])c2ccccc2c1=O
CC(C)c1nc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)cs1 CC(C)[*:1] C[C@H]([NH2+][C@H](C)c1ccc2OCOc2c1)c1csc(n1)[*:1]
Cc1cc(NC(=O)C(C)C)n(-c2nc(C)c(C)c([O-])n2)n1 CC(C)C(=O)N[*:1] Cc1cc(n(n1)-c1nc(C)c(C)c([O-])n1)[*:1]
Cc1cc(NC(=O)C(C)C)n(-c2nc(C)c(C)c([O-])n2)n1 CC(C)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc(C)c(C)c([O-])n1
CSC[C@@](C)(O)CNC(=O)c1cnccn1 CSC[*:1] C[C@@](O)(CNC(=O)c1cnccn1)[*:1]
CC(C)[NH+](CCNC(=O)c1ccn(-c2ccccc2)n1)C(C)C CC(C)[*:1] CC(C)[NH+](CCNC(=O)c1ccn(n1)-c1ccccc1)[*:1]
CC(C)[NH+](CCNC(=O)c1ccn(-c2ccccc2)n1)C(C)C c1ccc(cc1)[*:1] CC(C)[NH+](CCNC(=O)c1ccn(n1)[*:1])C(C)C
COC(=O)[C@@](C)(NCc1noc(C(C)(C)C)n1)C1CC1 C1CC1[*:1] COC(=O)[C@@](C)(NCc1noc(n1)C(C)(C)C)[*:1]
COC(=O)[C@@](C)(NCc1noc(C(C)(C)C)n1)C1CC1 COC(=O)[*:1] CC(C)(C)c1nc(CN[C@](C)(C2CC2)[*:1])no1
COC(=O)[C@@](C)(NCc1noc(C(C)(C)C)n1)C1CC1 CC(C)(C)[*:1] COC(=O)[C@@](C)(NCc1noc(n1)[*:1])C1CC1
COCCn1nc(C)c(CN[C@H](C)c2cnc3cc(C)nn3c2C)c1C COCC[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)NCc1c(C)nn(c1C)[*:1]
COCCn1nc(C)c(CN[C@H](C)c2cnc3cc(C)nn3c2C)c1C COC[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)NCc1c(C)nn(C[*:1])c1C
CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C)C2)cc1 CC(C)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc(cc1)CC(=O)N[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C)C2)cc1 CC(C)NC(=O)C[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C)C2)cc1 CC(C)NC(=O)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc(cc1)C[*:1]
COCCSc1ccc([C@@H](C)[NH3+])cc1 COC[*:1] C[C@@H]([NH3+])c1ccc(cc1)SC[*:1]
COCCSc1ccc([C@@H](C)[NH3+])cc1 COCC[*:1] C[C@@H]([NH3+])c1ccc(cc1)S[*:1]
Cc1cc([C@@H]([NH2+]C(C)C)c2cscc2C)c(F)cc1F Cc1cscc1[*:1] Cc1cc(c(F)cc1F)[C@@H]([NH2+]C(C)C)[*:1]
Cc1cc([C@@H]([NH2+]C(C)C)c2cscc2C)c(F)cc1F CC(C)[*:1] Cc1cc(c(F)cc1F)[C@@H]([NH2+][*:1])c1cscc1C
Cc1cc(C)n([C@@H](C)Cn2cncc2-c2cnc(N3CCCCC3)s2)n1 C1CCN(CC1)[*:1] Cc1cc(C)n(n1)[C@@H](C)Cn1cncc1-c1cnc(s1)[*:1]
Cc1cc(C)n([C@@H](C)Cn2cncc2-c2cnc(N3CCCCC3)s2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](Cn1cncc1-c1cnc(s1)N1CCCCC1)[*:1]
CC(=O)Nc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cc1 CC(=O)N[*:1] C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(cc2)[*:1])o1
O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccccc2)CC1 Clc1ccc(cc1)[*:1] O=C(CSc1nc(n[nH]1)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CSc1nc(n[nH]1)-c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc(n[nH]1)-c1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
CC(=O)C(C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C(C)[O-] O=[N+]([O-])[*:1] CC(=O)C(C(=O)c1ccc(cc1[N+](=O)[O-])[*:1])=C(C)[O-]
CC(=O)C(C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C(C)[O-] CC(=O)[*:1] CC([O-])=C(C(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[*:1]
CC(=O)C(C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C(C)[O-] O=[N+]([O-])[*:1] CC(=O)C(C(=O)c1ccc(cc1[*:1])[N+](=O)[O-])=C(C)[O-]
CC1(C)Cc2cccc(OCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c2O1 O=S(=O)(N1CCCC1)[*:1] CC1(C)Cc2cccc(OCC(=O)Nc3cccc(c3)[*:1])c2O1
Cc1c(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c([O-])n(CC(C)C)c(=O)c1C#N ClC(Cl)=C[*:1] Cc1c(C(=O)[C@@H]2[C@@H](C2(C)C)[*:1])c([O-])n(CC(C)C)c(=O)c1C#N
Cc1c(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c([O-])n(CC(C)C)c(=O)c1C#N CC(C)C[*:1] Cc1c(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c([O-])n(c(=O)c1C#N)[*:1]
Cc1c(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c([O-])n(CC(C)C)c(=O)c1C#N CC(C)[*:1] Cc1c(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c([O-])n(C[*:1])c(=O)c1C#N
Cc1cc(C)n(C[C@H](C)CNC(=O)NC(C)(C)c2ncc(C)s2)n1 Cc1cc(C)n(C[*:1])n1 Cc1cnc(s1)C(C)(C)NC(=O)NC[C@@H](C)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)NC(C)(C)c2ncc(C)s2)n1 Cc1cc(C)n(n1)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NC[C@@H](C)C[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)NC(C)(C)c2ncc(C)s2)n1 Cc1cnc(s1)[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)NC(C)(C)[*:1])n1
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)C(C#N)=C[*:1]
CCOC(=O)[C@@](C)(NS(=O)(=O)c1ccc(C)c(F)c1)C(C)C CC(C)[*:1] CCOC(=O)[C@@](C)(NS(=O)(=O)c1ccc(C)c(F)c1)[*:1]
CCOC(=O)[C@@](C)(NS(=O)(=O)c1ccc(C)c(F)c1)C(C)C CCOC(=O)[*:1] Cc1ccc(cc1F)S(=O)(=O)N[C@](C)(C(C)C)[*:1]
OCCn1cc(-c2cnc3ccccc3n2)cn1 OCC[*:1] c1ccc2nc(cnc2c1)-c1cnn(c1)[*:1]
Cn1c(SCc2ccccc2Oc2ccccc2)nnc1[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)O[*:1] Cn1c(nnc1[C@@H]1CCS(=O)(=O)C1)SCc1ccccc1[*:1]
Cn1c(SCc2ccccc2Oc2ccccc2)nnc1[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] Cn1c(nnc1[C@@H]1CCS(=O)(=O)C1)SCc1ccccc1O[*:1]
O=C(C[C@H]1CCCO1)NCc1cccc(C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(C[C@H]1CCCO1)NCc1cccc(c1)C(=O)N[*:1]
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCCC(=O)N(C)C CN(C)C(=O)CC[*:1] CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)N[*:1]
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCCC(=O)N(C)C CN(C)C(=O)C[*:1] CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NC[*:1]
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCCC(=O)N(C)C CN(C)C(=O)[*:1] CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCC[*:1]
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCCC(=O)N(C)C Cc1ccc(cc1)[*:1] CC[C@@H](C[*:1])N(C)C(=O)NCCC(=O)N(C)C
CCn1c(S[C@@H](C)C(=O)NC(=O)NC(C)(C)C)nnc1-c1cccs1 CC(C)(C)[*:1] CCn1c(nnc1-c1cccs1)S[C@@H](C)C(=O)NC(=O)N[*:1]
CCn1c(S[C@@H](C)C(=O)NC(=O)NC(C)(C)C)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])S[C@@H](C)C(=O)NC(=O)NC(C)(C)C
FC(F)(F)CSCc1nc(-c2ccsc2)no1 FC(F)(F)C[*:1] c1cc(cs1)-c1noc(CS[*:1])n1
FC(F)(F)CSCc1nc(-c2ccsc2)no1 c1cc(cs1)[*:1] FC(F)(F)CSCc1nc(no1)[*:1]
FC(F)(F)CSCc1nc(-c2ccsc2)no1 FC(F)(F)[*:1] c1cc(cs1)-c1noc(CSC[*:1])n1
N#C[C@H]1CNCCN1Cc1nc(-c2ccco2)no1 c1coc(c1)[*:1] N#C[C@H]1CNCCN1Cc1nc(no1)[*:1]
Brc1ccccc1C[NH2+]C1CC1 C1CC1[*:1] Brc1ccccc1C[NH2+][*:1]
O=C(NCc1cn(-c2ccccc2)nn1)c1cc(F)cc(F)c1 c1ccc(cc1)[*:1] O=C(NCc1cn(nn1)[*:1])c1cc(F)cc(F)c1
Cc1onc(-c2ccccc2)c1C(=O)N(C)CC(=O)N(C)C c1ccc(cc1)[*:1] Cc1onc(c1C(=O)N(C)CC(=O)N(C)C)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N(C)CC(=O)N(C)C CN(C)C(=O)C[*:1] Cc1onc(-c2ccccc2)c1C(=O)N(C)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N(C)CC(=O)N(C)C CN(C)C(=O)[*:1] Cc1onc(-c2ccccc2)c1C(=O)N(C)C[*:1]
CC(C)[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(cc1)[*:1]
CC(C)[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(C(F)(F)F)cc1 CC(C)[*:1] FC(F)(F)c1ccc(cc1)[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
COc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](NS(=O)(=O)c1ccc2CCCc2c1)[*:1]
COc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NS(=O)(=O)c1ccc2CCCc2c1)[*:1]
FC(F)C(F)(F)c1nnc2cc(Cl)ncn12 FC(F)[*:1] FC(F)(c1nnc2cc(Cl)ncn12)[*:1]
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 c1ccc(cc1)[*:1] CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@@H]3C=CC=NN3[C@H](C(=O)[*:1])[C@@H]2C1=O
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 CC(=O)O[*:1] O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2C=CC=NN21)c1ccc(cc1)[*:1]
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 O=C(c1ccccc1)[*:1] CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@@H]3C=CC=NN3[C@H]([C@@H]2C1=O)[*:1]
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 CC(=O)Oc1ccc(cc1)[*:1] O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2C=CC=NN21)[*:1]
Cc1ccccc1[C@@H]1CCCN1CN1CCSC1=O O=C1SCCN1[*:1] Cc1ccccc1[C@@H]1CCCN1C[*:1]
Cc1ncn(C[C@@H](C)[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1C Cc1ncn(c1C)[*:1] C[C@H](C[*:1])[NH2+][C@@H]1CCc2cc(Cl)ccc21
COc1ccc2c(c1)[C@@H](O)[C@@H](n1ccc(C)n1)CC2 Cc1ccn(n1)[*:1] COc1ccc2CC[C@H]([C@H](O)c2c1)[*:1]
CCCn1c(=C(C#N)C#N)s/c(=C\c2cccc3c2OCCCO3)c1=O CCC[*:1] N#CC(C#N)=c1s/c(=C\c2cccc3OCCCOc23)c(=O)n1[*:1]
O=C(Cn1ccccc1=O)N1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(Cn1ccccc1=O)N1CCN(CC1)C[*:1]
O=C(Cn1ccccc1=O)N1CCN(Cc2cccc(Cl)c2)CC1 O=c1ccccn1C[*:1] O=C(N1CCN(CC1)Cc1cccc(Cl)c1)[*:1]
O=C(Cn1ccccc1=O)N1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] O=C(Cn1ccccc1=O)N1CCN(CC1)[*:1]
O=C(Cn1ccccc1=O)N1CCN(Cc2cccc(Cl)c2)CC1 O=c1ccccn1[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cccc(Cl)c1
CC[NH2+][C@H](Cc1ccc(C)cn1)c1c(F)cc(F)cc1F Cc1ccc(nc1)[*:1] CC[NH2+][C@H](C[*:1])c1c(F)cc(F)cc1F
CC1(CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CCCC1 CC1(CCCC1)C[*:1] O=C(N[*:1])c1ccc(=O)n(n1)-c1ccc(F)cc1
CC1(CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CCCC1 Fc1ccc(cc1)[*:1] CC1(CCCC1)CNC(=O)c1ccc(=O)n(n1)[*:1]
CC1(CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CCCC1 CC1(CCCC1)[*:1] O=C(NC[*:1])c1ccc(=O)n(n1)-c1ccc(F)cc1
COc1ccc(SCc2ccc(C(N)=O)cc2)cc1OC NC(=O)[*:1] COc1ccc(cc1OC)SCc1ccc(cc1)[*:1]
CCc1cc2c(N[C@@H](C)c3cccc(S(=O)(=O)NC)c3)ncnc2s1 CNS(=O)(=O)[*:1] CCc1cc2c(ncnc2s1)N[C@@H](C)c1cccc(c1)[*:1]
CCC[C@H]1CN(C(=O)CCc2cccs2)CCO1 c1csc(c1)C[*:1] CCC[C@H]1CN(CCO1)C(=O)C[*:1]
CCC[C@H]1CN(C(=O)CCc2cccs2)CCO1 CCC[*:1] O=C(CCc1cccs1)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)CCc2cccs2)CCO1 c1csc(c1)[*:1] CCC[C@H]1CN(CCO1)C(=O)CC[*:1]
COC(=O)c1c(S(=O)(=O)NC(C)C)sc2c1CCN(Cc1ccccc1F)C2 COC(=O)[*:1] CC(C)NS(=O)(=O)c1sc2CN(CCc2c1[*:1])Cc1ccccc1F
COC(=O)c1c(S(=O)(=O)NC(C)C)sc2c1CCN(Cc1ccccc1F)C2 CC(C)NS(=O)(=O)[*:1] COC(=O)c1c(sc2CN(CCc21)Cc1ccccc1F)[*:1]
COC(=O)c1c(S(=O)(=O)NC(C)C)sc2c1CCN(Cc1ccccc1F)C2 Fc1ccccc1[*:1] COC(=O)c1c(sc2CN(CCc21)C[*:1])S(=O)(=O)NC(C)C
COC(=O)c1c(S(=O)(=O)NC(C)C)sc2c1CCN(Cc1ccccc1F)C2 Fc1ccccc1C[*:1] COC(=O)c1c(sc2CN(CCc21)[*:1])S(=O)(=O)NC(C)C
COC(=O)c1c(S(=O)(=O)NC(C)C)sc2c1CCN(Cc1ccccc1F)C2 CC(C)[*:1] COC(=O)c1c(sc2CN(CCc21)Cc1ccccc1F)S(=O)(=O)N[*:1]
Cc1ccc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc1 Cc1ccc(nc1)[*:1] O=C(CS[*:1])Nc1ccc(cc1)C(F)(F)F
Cc1ccc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc1 FC(F)(F)[*:1] Cc1ccc(nc1)SCC(=O)Nc1ccc(cc1)[*:1]
Cc1nc(CNC(=O)N[C@@H](C)C[C@H](O)c2ccccc2)oc1C Cc1nc(oc1C)[*:1] C[C@@H](C[C@H](O)c1ccccc1)NC(=O)NC[*:1]
Cc1nc(CNC(=O)N[C@@H](C)C[C@H](O)c2ccccc2)oc1C c1ccc(cc1)[*:1] Cc1nc(CNC(=O)N[C@@H](C)C[C@H](O)[*:1])oc1C
CC(=O)NCc1ccc(C(=O)N(c2nc(C)cs2)C2CC2)cc1 CC(=O)N[*:1] Cc1csc(n1)N(C(=O)c1ccc(cc1)C[*:1])C1CC1
CC(=O)NCc1ccc(C(=O)N(c2nc(C)cs2)C2CC2)cc1 Cc1csc(n1)[*:1] CC(=O)NCc1ccc(cc1)C(=O)N(C1CC1)[*:1]
CC(=O)NCc1ccc(C(=O)N(c2nc(C)cs2)C2CC2)cc1 C1CC1[*:1] CC(=O)NCc1ccc(cc1)C(=O)N(c1nc(C)cs1)[*:1]
CC(=O)NCc1ccc(C(=O)N(c2nc(C)cs2)C2CC2)cc1 CC(=O)NC[*:1] Cc1csc(n1)N(C(=O)c1ccc(cc1)[*:1])C1CC1
CCCn1nnnc1COC(=O)[C@H]1Cc2cc(Cl)ccc2O1 CCC[*:1] O=C(OCc1nnnn1[*:1])[C@H]1Cc2cc(Cl)ccc2O1
CS(=O)(=O)CCC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 c1ccc(C[*:1])nc1 CS(=O)(=O)CCC(=O)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
CS(=O)(=O)CCC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 CS(=O)(=O)C[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1[nH+]ccn1Cc1ccccn1
CS(=O)(=O)CCC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 CS(=O)(=O)CC[*:1] O=C(N1CCC[C@H](C1)c1[nH+]ccn1Cc1ccccn1)[*:1]
CS(=O)(=O)CCC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 CS(=O)(=O)[*:1] O=C(CC[*:1])N1CCC[C@H](C1)c1[nH+]ccn1Cc1ccccn1
CS(=O)(=O)CCC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 c1ccc(nc1)[*:1] CS(=O)(=O)CCC(=O)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
C[C@@H]1CN(C=O)c2ccccc2N(CC(=O)c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H]1CN(C=O)c2ccccc2N(CC(=O)[*:1])C1=O
C[C@@H]1CN(C=O)c2ccccc2N(CC(=O)c2ccccc2)C1=O O=C(c1ccccc1)[*:1] C[C@@H]1CN(C=O)c2ccccc2N(C[*:1])C1=O
O=C(NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC(=S)N1CCN(CC1)C(c1ccccc1)[*:1])c1ccccc1
O=C(NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC(=S)N1CCN(CC1)C(c1ccccc1)c1ccccc1)[*:1]
Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)Cn1cnc(C)c1C Cc1ncn(c1C)[*:1] Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)C[*:1]
CCCNC(=O)CNC(=O)c1cn(-c2ccc(Cl)cc2)nc1C CCCNC(=O)C[*:1] Cc1nn(cc1C(=O)N[*:1])-c1ccc(Cl)cc1
CCCNC(=O)CNC(=O)c1cn(-c2ccc(Cl)cc2)nc1C CCCNC(=O)[*:1] Cc1nn(cc1C(=O)NC[*:1])-c1ccc(Cl)cc1
CCCNC(=O)CNC(=O)c1cn(-c2ccc(Cl)cc2)nc1C CCC[*:1] Cc1nn(cc1C(=O)NCC(=O)N[*:1])-c1ccc(Cl)cc1
CCCNC(=O)CNC(=O)c1cn(-c2ccc(Cl)cc2)nc1C Clc1ccc(cc1)[*:1] CCCNC(=O)CNC(=O)c1cn(nc1C)[*:1]
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Cc1cccc(OCC#N)c1 N#CCO[*:1] C[C@@H]1C[C@H](CN1C(=O)Cc1cccc(c1)[*:1])c1ccc(F)cc1
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Cc1cccc(OCC#N)c1 N#CC[*:1] C[C@@H]1C[C@H](CN1C(=O)Cc1cccc(c1)O[*:1])c1ccc(F)cc1
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Cc1cccc(OCC#N)c1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1C(=O)Cc1cccc(c1)OCC#N)[*:1]
CN(C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=S(=O)(c1ccc(F)cc1F)N1CCC(CC1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CCc2c(C)noc2C)C1 COC(=O)C(C)(C)[*:1] Cc1noc(C)c1CCC(=O)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CCc2c(C)noc2C)C1 COC(=O)[*:1] Cc1noc(C)c1CCC(=O)N1CCC[C@@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CCc2c(C)noc2C)C1 Cc1noc(C)c1[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)CC[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CCc2c(C)noc2C)C1 Cc1noc(C)c1C[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccc(-c2nn(C)cc2C[NH2+]C(C)(C)C)cc1F CC(C)(C)[*:1] Cc1ccc(cc1F)-c1nn(C)cc1C[NH2+][*:1]
C[C@H]([NH2+]Cc1cnc(N2CCOCC2)nc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H]([NH2+]Cc1cnc(nc1)N1CCOCC1)[*:1]
C[C@H]([NH2+]Cc1cnc(N2CCOCC2)nc1)c1ccc(F)c(F)c1 C1CN(CCO1)[*:1] C[C@H]([NH2+]Cc1cnc(nc1)[*:1])c1ccc(F)c(F)c1
CCOC(=O)[C@H]1CCCN(C(=O)c2nc([O-])c3ccccc3n2)C1 CCOC(=O)[*:1] O=C(c1nc([O-])c2ccccc2n1)N1CCC[C@@H](C1)[*:1]
CC[C@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)[*:1]
CC[C@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1 O=S1(=O)CC[C@H](C1)[*:1] CC[C@H](CC(=O)NNC(=O)[*:1])c1ccc(C)cc1
CC(C)Nc1cccc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 CC(C)N[*:1] O=C(NCc1cccc(c1)[*:1])N[C@H]1CC(=O)N(C1)C1CC1
CC(C)Nc1cccc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 CC(C)[*:1] O=C(NCc1cccc(c1)N[*:1])N[C@H]1CC(=O)N(C1)C1CC1
CC(C)Nc1cccc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 C1CC1[*:1] CC(C)Nc1cccc(c1)CNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
CCC(=O)Nc1ccc(C(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 CCC(=O)N[*:1] Cc1cc(C)n2nc(nc2n1)SCC(=O)c1ccc(cc1)[*:1]
CC(C)OCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 CC(C)O[*:1] O[C@H](CN1CC[NH+](CC1)CC[*:1])c1ccccc1
CC(C)OCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 CC(C)OCC[*:1] O[C@H](CN1CC[NH+](CC1)[*:1])c1ccccc1
CC(C)OCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 CC(C)[*:1] O[C@H](CN1CC[NH+](CCO[*:1])CC1)c1ccccc1
CC(C)OCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 CC(C)OC[*:1] O[C@H](CN1CC[NH+](CC1)C[*:1])c1ccccc1
CC(C)OCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)OCC[NH+]1CCN(CC1)C[C@@H](O)[*:1]
C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)CCCCO OCCCC[*:1] C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)[*:1]
C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)CCCCO OCC[*:1] C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)CC[*:1]
C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)CCCCO OCCC[*:1] C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)C[*:1]
CC(C)[C@@H]1NC(=O)N(Cc2ccc(-n3cccn3)cc2)C1=O c1cnn(c1)[*:1] CC(C)[C@@H]1NC(=O)N(Cc2ccc(cc2)[*:1])C1=O
CC(C)[C@@H]1NC(=O)N(Cc2ccc(-n3cccn3)cc2)C1=O CC(C)[*:1] O=C1N[C@H](C(=O)N1Cc1ccc(cc1)-n1cccn1)[*:1]
Cc1cccnc1C[C@@H](Br)CCC(C)C CC(C)[*:1] Cc1cccnc1C[C@@H](Br)CC[*:1]
Cc1cccnc1C[C@@H](Br)CCC(C)C CC(C)C[*:1] Cc1cccnc1C[C@@H](Br)C[*:1]
Cc1cccnc1C[C@@H](Br)CCC(C)C CC(C)CC[*:1] Cc1cccnc1C[C@@H](Br)[*:1]
Cc1cccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)Cn1cc(C(=O)[*:1])c2ccccc21
Cc1cccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)c1 Cc1cccc(c1)[*:1] CC(C)C(=O)c1cn(CC(=O)N[*:1])c2ccccc12
Cc1cccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)c1 CC(C)C(=O)[*:1] Cc1cccc(c1)NC(=O)Cn1cc(c2ccccc21)[*:1]
COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1nnc(n1)-c1ccccc1NC(=O)c1ccc(Cl)cc1)N[*:1]
COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)n2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Cn1nnc(n1)-c1ccccc1NC(=O)[*:1]
COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)n2)cc1 O=C(N[*:1])c1ccc(Cl)cc1 COc1ccc(cc1)NC(=O)Cn1nnc(n1)-c1ccccc1[*:1]
COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)n2)cc1 COc1ccc(cc1)NC(=O)[*:1] O=C(Nc1ccccc1-c1nnn(C[*:1])n1)c1ccc(Cl)cc1
O=C(Nc1c(F)cccc1F)N(CC1CCCCC1)C1CC1 C1CCC(CC1)[*:1] O=C(Nc1c(F)cccc1F)N(C[*:1])C1CC1
O=C(Nc1c(F)cccc1F)N(CC1CCCCC1)C1CC1 C1CCC(CC1)C[*:1] O=C(Nc1c(F)cccc1F)N(C1CC1)[*:1]
O=C(Nc1c(F)cccc1F)N(CC1CCCCC1)C1CC1 C1CC1[*:1] O=C(Nc1c(F)cccc1F)N(CC1CCCCC1)[*:1]
COCCc1nc(C)c([C@H](C)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 COC[*:1] Cc1nc(C[*:1])sc1[C@H](C)N[C@@H]1CCN(C1)c1cccc[nH+]1
COCCc1nc(C)c([C@H](C)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 COCC[*:1] Cc1nc(sc1[C@H](C)N[C@@H]1CCN(C1)c1cccc[nH+]1)[*:1]
NC(=O)[C@H]1CC(C(=O)NCC2CCC2)=NN1c1ccccc1 NC(=O)[*:1] O=C(NCC1CCC1)C1C[C@@H](N(N=1)c1ccccc1)[*:1]
NC(=O)[C@H]1CC(C(=O)NCC2CCC2)=NN1c1ccccc1 C1CC(C1)[*:1] NC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)NC[*:1]
NC(=O)[C@H]1CC(C(=O)NCC2CCC2)=NN1c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CC(=NN1[*:1])C(=O)NCC1CCC1
NC(=O)[C@H]1CC(C(=O)NCC2CCC2)=NN1c1ccccc1 C1CC(C1)C[*:1] NC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)N[*:1]
Cc1cccc(NC(=O)COc2cccc(N3CCCC3=O)c2)c1C O=C1CCCN1[*:1] Cc1cccc(NC(=O)COc2cccc(c2)[*:1])c1C
Cc1cccc(NC(=O)COc2cccc(N3CCCC3=O)c2)c1C Cc1cccc(c1C)[*:1] O=C(COc1cccc(c1)N1CCCC1=O)N[*:1]
CC(C)[NH2+]CC1(C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 CC(C)[*:1] C1CCC(CC1)(C[NH2+][*:1])C[C@@H]1C[C@H]2CC[C@@H]1C2
C[C@H]1CCC[C@]1(C(=O)[O-])c1ccc2c(c1)OCO2 O=C([O-])[*:1] C[C@H]1CCC[C@@]1(c1ccc2OCOc2c1)[*:1]
CCCC(=O)NCCSc1ccccc1 CCC[*:1] O=C(NCCSc1ccccc1)[*:1]
Cc1ncc(NC(=O)CCC2CCCCC2)c(C)c1Cl C1CCC(CC1)[*:1] Cc1ncc(NC(=O)CC[*:1])c(C)c1Cl
COc1cc(NC(=O)c2cnn(-c3ccccc3)n2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)c1cnn(n1)[*:1]
COc1ccc(C(=O)N(C)CCC(=O)[O-])cc1O O=C([O-])CC[*:1] COc1ccc(cc1O)C(=O)N(C)[*:1]
COc1ccc(C(=O)N(C)CCC(=O)[O-])cc1O O=C([O-])[*:1] COc1ccc(cc1O)C(=O)N(C)CC[*:1]
COc1ccc(C(=O)N(C)CCC(=O)[O-])cc1O O=C([O-])C[*:1] COc1ccc(cc1O)C(=O)N(C)C[*:1]
O=C(Nc1ccccc1Cl)c1ccc(-n2cccn2)nn1 Clc1ccccc1[*:1] O=C(N[*:1])c1ccc(nn1)-n1cccn1
O=C(Nc1ccccc1Cl)c1ccc(-n2cccn2)nn1 c1cnn(c1)[*:1] O=C(Nc1ccccc1Cl)c1ccc(nn1)[*:1]
Cc1nc(Nc2ccccc2)cc([C@H]2CN(S(C)(=O)=O)CCO2)n1 c1ccc(cc1)N[*:1] Cc1nc(cc(n1)[*:1])[C@H]1CN(CCO1)S(C)(=O)=O
Cc1nc(Nc2ccccc2)cc([C@H]2CN(S(C)(=O)=O)CCO2)n1 c1ccc(cc1)[*:1] Cc1nc(cc(n1)[C@H]1CN(CCO1)S(C)(=O)=O)N[*:1]
Cn1c(C[NH+]2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 Clc1ccc(cc1)[*:1] Cn1c(C[NH+]2CCCCC2)nc2cc(ccc21)NS(=O)(=O)[*:1]
Cc1cc(C)c(C(=O)N2CCC(CC(=O)[O-])CC2)c(C)c1 O=C([O-])[*:1] Cc1cc(C)c(C(=O)N2CCC(CC2)C[*:1])c(C)c1
Cc1cc(C)c(C(=O)N2CCC(CC(=O)[O-])CC2)c(C)c1 O=C([O-])C[*:1] Cc1cc(C)c(C(=O)N2CCC(CC2)[*:1])c(C)c1
O[C@@]1(C#Cc2ccccc2)Cc2cccc(F)c21 c1ccc(cc1)[*:1] O[C@@]1(C#C[*:1])Cc2cccc(F)c21
C[C@H]1CC(C(=O)NCc2ccccc2OC2CCC2)C[C@H](C)O1 C1CC(C1)O[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1ccccc1[*:1]
C[C@H]1CC(C(=O)NCc2ccccc2OC2CCC2)C[C@H](C)O1 C1CC(C1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1ccccc1O[*:1]
O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCc2cc(F)ccc2C1 O=[N+]([O-])[*:1] O=C(c1cccc(Cl)c1[*:1])N1CCc2cc(F)ccc2C1
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(C)nn(C(F)F)c3C)[C@@H]2SC1 O=C([O-])[*:1] CC(=O)OCC1CS[C@H]2[C@@H](NC(=O)c3c(C)nn(c3C)C(F)F)C(=O)N2C=1[*:1]
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(C)nn(C(F)F)c3C)[C@@H]2SC1 FC(F)[*:1] CC(=O)OCC1CS[C@H]2[C@@H](NC(=O)c3c(C)nn(c3C)[*:1])C(=O)N2C=1C(=O)[O-]
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(C)nn(C(F)F)c3C)[C@@H]2SC1 Cc1nn(c(C)c1[*:1])C(F)F CC(=O)OCC1CS[C@H]2[C@@H](NC(=O)[*:1])C(=O)N2C=1C(=O)[O-]
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(C)nn(C(F)F)c3C)[C@@H]2SC1 CC(=O)OC[*:1] Cc1nn(c(C)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CS[C@@H]12)[*:1])C(F)F
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(C)nn(C(F)F)c3C)[C@@H]2SC1 CC(=O)O[*:1] Cc1nn(c(C)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CS[C@@H]12)C[*:1])C(F)F
O=C([C@H]1C=C(Cn2ccc3ccccc32)N=N1)N1CCC[C@@H]1c1nccs1 c1csc(n1)[*:1] O=C([C@H]1C=C(Cn2ccc3ccccc32)N=N1)N1CCC[C@H]1[*:1]
O=C([C@H]1C=C(Cn2ccc3ccccc32)N=N1)N1CCC[C@@H]1c1nccs1 c1ccc2c(c1)ccn2[*:1] O=C([C@H]1C=C(C[*:1])N=N1)N1CCC[C@@H]1c1nccs1
C[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCS(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC[*:1]
C[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@@H]1CCC[C@@H]1NS(=O)(=O)CC[*:1]
COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1nn(-c2ccccc2)c(=S)s1 c1ccc(cc1)[*:1] COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1nn(c(=S)s1)[*:1]
C[C@H](Cn1cccn1)NC(=O)C[C@H]1C=CCC1 c1cnn(c1)[*:1] C[C@H](C[*:1])NC(=O)C[C@H]1C=CCC1
CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@H](C)C[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@H](C)Cc1cccs1 C1CC[C@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)[C@H](C)Cc1cccs1
CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@H](C)Cc1cccs1 C1CC[C@@H](C[*:1])OC1 CC(C)N(C(=O)[C@H](C)Cc1cccs1)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@H](C)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@H](C)Cc1cccs1 CC(C)[*:1] C[C@H](Cc1cccs1)C(=O)N(C[C@@H]1CCCCO1)[*:1]
CC(=O)c1cccc(OCc2cc(C(=O)N[C@H](C)C(N)=O)n[nH]2)c1 C[C@@H](NC(=O)[*:1])C(N)=O CC(=O)c1cccc(c1)OCc1cc(n[nH]1)[*:1]
CC(=O)c1cccc(OCc2cc(C(=O)N[C@H](C)C(N)=O)n[nH]2)c1 C[C@H](C(N)=O)[*:1] CC(=O)c1cccc(c1)OCc1cc(n[nH]1)C(=O)N[*:1]
CC(=O)c1cccc(OCc2cc(C(=O)N[C@H](C)C(N)=O)n[nH]2)c1 CC(=O)[*:1] C[C@@H](NC(=O)c1cc(COc2cccc(c2)[*:1])[nH]n1)C(N)=O
CC(=O)c1cccc(OCc2cc(C(=O)N[C@H](C)C(N)=O)n[nH]2)c1 NC(=O)[*:1] CC(=O)c1cccc(c1)OCc1cc(n[nH]1)C(=O)N[C@H](C)[*:1]
CCN(CC)c1ncc(Cl)c(C(=O)NCC2CCC(C)CC2)n1 CCN(CC)[*:1] CC1CCC(CC1)CNC(=O)c1nc(ncc1Cl)[*:1]
CCN(CC)c1ncc(Cl)c(C(=O)NCC2CCC(C)CC2)n1 CC1CCC(CC1)[*:1] CCN(CC)c1ncc(Cl)c(n1)C(=O)NC[*:1]
C[C@H](NC(=O)Cc1ccccc1Br)c1cccc(C#N)c1 Brc1ccccc1[*:1] C[C@H](NC(=O)C[*:1])c1cccc(C#N)c1
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)CCc1nc(no1)[*:1]
CN(CCOc1ccc(Cl)cc1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CCOc1ccc(Cl)cc1)C(=O)/C=C/c1ccccc1[*:1]
CN(CCOc1ccc(Cl)cc1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] Clc1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)/C=C/c1ccccc1[N+](=O)[O-]
CN(CCOc1ccc(Cl)cc1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)/C=C/c1ccccc1[N+](=O)[O-]
O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(CC1)[*:1]
O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1 FC(F)(F)[*:1] O=S(=O)(c1ccccc1[*:1])N1CCN(CC1)c1cccc(Cl)c1
COC(=O)CCN(C)C(=O)NCc1ccc(C(=O)[O-])o1 COC(=O)CC[*:1] CN(C(=O)NCc1ccc(o1)C(=O)[O-])[*:1]
COC(=O)CCN(C)C(=O)NCc1ccc(C(=O)[O-])o1 COC(=O)[*:1] CN(CC[*:1])C(=O)NCc1ccc(o1)C(=O)[O-]
COC(=O)CCN(C)C(=O)NCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] COC(=O)CCN(C)C(=O)NCc1ccc(o1)[*:1]
COC(=O)CCN(C)C(=O)NCc1ccc(C(=O)[O-])o1 COC(=O)C[*:1] CN(C[*:1])C(=O)NCc1ccc(o1)C(=O)[O-]
COC(=O)c1ccc(CSc2nnc(Cc3csc(C)n3)o2)o1 Cc1nc(cs1)C[*:1] COC(=O)c1ccc(CSc2nnc(o2)[*:1])o1
COC(=O)c1ccc(CSc2nnc(Cc3csc(C)n3)o2)o1 COC(=O)[*:1] Cc1nc(cs1)Cc1nnc(o1)SCc1ccc(o1)[*:1]
COC(=O)c1ccc(CSc2nnc(Cc3csc(C)n3)o2)o1 Cc1nc(cs1)[*:1] COC(=O)c1ccc(CSc2nnc(C[*:1])o2)o1
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN(C)Cc2c(C)noc2C)C1=O Cc1noc(C)c1C[*:1] CC[C@]1(NC(=O)N(CN(C)[*:1])C1=O)c1ccc(Cl)cc1
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN(C)Cc2c(C)noc2C)C1=O Cc1noc(C)c1[*:1] CC[C@]1(NC(=O)N(CN(C)C[*:1])C1=O)c1ccc(Cl)cc1
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN(C)Cc2c(C)noc2C)C1=O Clc1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CN(C)Cc2c(C)noc2C)C1=O)[*:1]
CCCc1c(-c2ccc(Cl)s2)n[nH]c1N CCC[*:1] Nc1[nH]nc(-c2ccc(Cl)s2)c1[*:1]
C[NH+](CC[NH2+]C(C)(C)C)C1CCCCC1 CC(C)(C)[NH2+][*:1] C[NH+](CC[*:1])C1CCCCC1
C[NH+](CC[NH2+]C(C)(C)C)C1CCCCC1 CC(C)(C)[*:1] C[NH+](CC[NH2+][*:1])C1CCCCC1
CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccnn1C(C)C CC(C)[*:1] CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccnn1[*:1]
CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccnn1C(C)C CC(C)[*:1] CC(C)n1nccc1C(=O)N1c2ccccc2CC[C@H]1[*:1]
CC[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1[*:1]
CC(C)(C)[C@](O)(c1ccc(C(=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 CC(C)(C)[*:1] O=C([O-])c1ccc(cc1)[C@@](O)(c1ccc(cc1)C(F)(F)F)[*:1]
CC(C)(C)[C@](O)(c1ccc(C(=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)(C)[C@](O)(c1ccc(cc1)C(=O)[O-])c1ccc(cc1)[*:1]
CC(C)(C)[C@](O)(c1ccc(C(=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 O=C([O-])[*:1] CC(C)(C)[C@@](O)(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)[*:1]
Fc1ccccc1N1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 Fc1ccccc1[*:1] Clc1cccc(Cl)c1C[NH+]1CCN(CC1)[*:1]
CCc1ccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 Cc1cccc(c1C)[*:1] CCc1ccc(cc1)C(=O)N(C)CC(=O)N[*:1]
CCc1ccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 CCc1ccc(cc1)[*:1] Cc1cccc(NC(=O)CN(C)C(=O)[*:1])c1C
C[C@H](O)CC(C)(C)CNC(=O)c1occc1Br C[C@H](O)C[*:1] CC(C)(CNC(=O)c1occc1Br)[*:1]
C[C@H](O)CC(C)(C)CNC(=O)c1occc1Br C[C@H](O)[*:1] CC(C)(CNC(=O)c1occc1Br)C[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)[C@@H](C)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)[C@@H](C)[*:1]
CCO[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3F)CC2)C12CCC2 Fc1cccnc1[*:1] CCO[C@H]1C[C@@H](NC(=O)N2CCN(CC2)[*:1])C12CCC2
CCO[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3F)CC2)C12CCC2 CCO[*:1] O=C(N[C@@H]1C[C@@H](C12CCC2)[*:1])N1CCN(CC1)c1ncccc1F
CC(=O)N1CC[C@]2(O)CCN(C(=O)Cc3cc(C)ccc3C)C[C@@H]2C1 Cc1ccc(C)c(c1)[*:1] CC(=O)N1CC[C@]2(O)CCN(C[C@@H]2C1)C(=O)C[*:1]
COc1cc(OC)c(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CC[NH2+]CC2)cc1Cl COc1cc(OC)c(cc1Cl)[*:1] Cc1ccc(cc1C)-n1ncc(C(=O)N[*:1])c1C1CC[NH2+]CC1
COc1cc(OC)c(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CC[NH2+]CC2)cc1Cl Cc1ccc(cc1C)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)c1cnn(c1C1CC[NH2+]CC1)[*:1]
CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc(C(=O)[O-])cc12 CC(C)(C)[*:1] O=C([O-])c1ccc2NCC3(CCN(CC3)C(=O)O[*:1])c2c1
CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc(C(=O)[O-])cc12 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc(cc12)[*:1]
CC[C@@H](O)c1ccn(Cc2ccc(Br)cc2)c1 CC[C@@H](O)[*:1] Brc1ccc(cc1)Cn1ccc(c1)[*:1]
C#CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1 C#CC[*:1] COc1ccc(cc1OC)NC(=O)c1ccc(cc1)O[*:1]
C#CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1 C#CCO[*:1] COc1ccc(cc1OC)NC(=O)c1ccc(cc1)[*:1]
O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)N1CCO[C@H]([C@H]2CCCO2)C1 C1CO[C@H](C1)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N1CCO[C@H](C1)[*:1]
C/C=C\C(=O)NCCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21 C/C=C\C(=O)NCC[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)N1CCCc2ccccc21
C/C=C\C(=O)NCCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21 CC=C[*:1] O=C(Cn1c(CCCNC(=O)[*:1])nc2ccccc21)N1CCCc2ccccc21
C/C=C\C(=O)NCCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21 C/C=C\C(=O)NCCC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCCc2ccccc21
C/C=C\C(=O)NCCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21 C/C=C\C(=O)NC[*:1] O=C(Cn1c(CC[*:1])nc2ccccc21)N1CCCc2ccccc21
C/C=C\C(=O)NCCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21 C/C=C\C(=O)N[*:1] O=C(Cn1c(CCC[*:1])nc2ccccc21)N1CCCc2ccccc21
COc1cc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)ccc1O c1cc(ccn1)C[*:1] COc1cc(ccc1O)C[C@@H]1[C@H](O)c2ccccc2S(=O)(=O)N1[*:1]
COc1cc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)ccc1O COc1cc(ccc1O)[*:1] O=S1(=O)c2ccccc2[C@@H](O)[C@@H](C[*:1])N1Cc1ccncc1
COc1cc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)ccc1O COc1cc(ccc1O)C[*:1] O=S1(=O)c2ccccc2[C@@H](O)[C@H](N1Cc1ccncc1)[*:1]
COc1cc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)ccc1O c1cc(ccn1)[*:1] COc1cc(ccc1O)C[C@@H]1[C@H](O)c2ccccc2S(=O)(=O)N1C[*:1]
CCCOc1ccc(C(=O)N/N=C/C(C)=C\c2ccccc2)cc1 CCC[*:1] CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(cc1)O[*:1]
CCCOc1ccc(C(=O)N/N=C/C(C)=C\c2ccccc2)cc1 CCCO[*:1] CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(cc1)[*:1]
CCCOc1ccc(C(=O)N/N=C/C(C)=C\c2ccccc2)cc1 c1ccc(cc1)[*:1] CCCOc1ccc(cc1)C(=O)N/N=C/C(/C)=C[*:1]
CCCSC/C([O-])=N/c1nc(-c2ccc(OC)cc2)n[nH]1 CCCS[*:1] COc1ccc(cc1)-c1n[nH]c(/N=C(\[O-])C[*:1])n1
CCCSC/C([O-])=N/c1nc(-c2ccc(OC)cc2)n[nH]1 CCC[*:1] COc1ccc(cc1)-c1n[nH]c(/N=C(\[O-])CS[*:1])n1
CCCSC/C([O-])=N/c1nc(-c2ccc(OC)cc2)n[nH]1 CCCSC[*:1] COc1ccc(cc1)-c1n[nH]c(/N=C(\[O-])[*:1])n1
C[NH+](C)[C@@H]1CC[C@H](NC(=O)CCCc2ccccn2)C1 c1ccc(nc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)CCC[*:1]
Cc1ccc(C(=O)NCc2cc(-c3ccccn3)n(C)n2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NCc1cc(-c2ccccn2)n(C)n1
Cc1ccc(C(=O)NCc2cc(-c3ccccn3)n(C)n2)cc1[N+](=O)[O-] c1ccc(nc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NCc1cc(n(C)n1)[*:1]
CC1(C)CCC[C@@](C[NH3+])(Cc2cccc([N+](=O)[O-])c2)[C@@H]1O O=[N+]([O-])[*:1] CC1(C)CCC[C@@](C[NH3+])(Cc2cccc(c2)[*:1])[C@@H]1O
C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc2c(c1)OCO2 C=CC[*:1] O=C(CSc1nnc(-c2ccc3OCOc3c2)n1[*:1])Nc1ccccc1Cl
C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc2c(c1)OCO2 Clc1ccccc1[*:1] C=CCn1c(nnc1-c1ccc2OCOc2c1)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1ccccc1Cl
O=C([O-])c1ccccc1[C@H]1CCN(C(=O)Nc2ccc(F)c(F)c2)C1 O=C([O-])[*:1] O=C(Nc1ccc(F)c(F)c1)N1CC[C@@H](C1)c1ccccc1[*:1]
O=C([O-])c1ccccc1[C@H]1CCN(C(=O)Nc2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=C([O-])c1ccccc1[C@H]1CCN(C1)C(=O)N[*:1]
C/C(=N/NC(=O)c1cccc(Cn2nc(C)cc2C)c1)c1ccc2ccccc2c1 Cc1cc(C)n(n1)[*:1] C/C(=N/NC(=O)c1cccc(c1)C[*:1])c1ccc2ccccc2c1
C/C(=N/NC(=O)c1cccc(Cn2nc(C)cc2C)c1)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] CC(=NNC(=O)c1cccc(c1)Cn1nc(C)cc1C)[*:1]
C/C(=N/NC(=O)c1cccc(Cn2nc(C)cc2C)c1)c1ccc2ccccc2c1 Cc1cc(C)n(C[*:1])n1 C/C(=N/NC(=O)c1cccc(c1)[*:1])c1ccc2ccccc2c1
CS(=O)(=O)c1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1 CS(=O)(=O)[*:1] O=C(COc1ccc2CCCc2c1)Nc1cccc(c1)[*:1]
O=C(C=C1CCSCC1)N[C@H]1CCN(c2ccccc2OC(F)F)C1 FC(F)O[*:1] O=C(C=C1CCSCC1)N[C@H]1CCN(C1)c1ccccc1[*:1]
O=C(C=C1CCSCC1)N[C@H]1CCN(c2ccccc2OC(F)F)C1 FC(F)[*:1] O=C(C=C1CCSCC1)N[C@H]1CCN(C1)c1ccccc1O[*:1]
O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(OC[*:1])c1ccc(cc1)N1CCCC1=O
O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 O=C1CCCN1[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])c1ccccc1
O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])c1ccc(cc1)N1CCCC1=O
COC(=O)CNC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 COC(=O)[*:1] O=C(NC[*:1])Nc1ccc(cc1)-c1nc2ccccc2s1
COC(=O)CNC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 COC(=O)C[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2s1)N[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](C)n2cncn2)CC1 c1ncn(n1)[*:1] CCc1ccccc1NC(=O)CN1CCN(CC1)C(=O)[C@H](C)[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](C)n2cncn2)CC1 CCc1ccccc1[*:1] C[C@@H](C(=O)N1CCN(CC1)CC(=O)N[*:1])n1cncn1
Cc1noc(C)c1CC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 Cc1noc(C)c1C[*:1] O=C(N1CCC(CC1)c1ccc(cc1)C(F)(F)F)[*:1]
Cc1noc(C)c1CC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] Cc1noc(C)c1CC(=O)N1CCC(CC1)c1ccc(cc1)[*:1]
Cc1noc(C)c1CC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 Cc1noc(C)c1[*:1] O=C(C[*:1])N1CCC(CC1)c1ccc(cc1)C(F)(F)F
O=C(CN1CCc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CN1CCc2ccccc21)Nc1ccc(cc1)O[*:1]
O=C(CN1CCc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(CN1CCc2ccccc21)Nc1ccc(cc1)[*:1]
CC[C@@H](NC(=O)NC[C@@H]1CCC[C@H](O)C1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)NC[C@@H]1CCC[C@H](O)C1)[*:1]
CCC(C)(C)[C@H](O)c1cc(F)c(C)cc1F CCC(C)(C)[*:1] Cc1cc(F)c(cc1F)[C@@H](O)[*:1]
N#Cc1nccn1-c1ccc(F)cc1C(=O)[O-] O=C([O-])[*:1] N#Cc1nccn1-c1ccc(F)cc1[*:1]
COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)cs2)cc1 c1ccc2oc(cc2c1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nc(C)cs1
COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)cs2)cc1 COc1ccc(cc1)[*:1] Cc1csc(n1)N1C(=O)C([O-])=C(C(=O)c2cc3ccccc3o2)[C@H]1[*:1]
COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)cs2)cc1 Cc1csc(n1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2cc3ccccc3o2)=C([O-])C(=O)N1[*:1]
O=C1CN(C(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c2ccccc2N1 FC(F)[*:1] O=C1CN(C(=O)COC(=O)/C=C/c2ccc(cc2)O[*:1])c2ccccc2N1
O=C1CN(C(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c2ccccc2N1 FC(F)O[*:1] O=C1CN(C(=O)COC(=O)/C=C/c2ccc(cc2)[*:1])c2ccccc2N1
Cc1nn2cccnc2c1C(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] Cc1nn2cccnc2c1C(=O)N[C@H](C)c1ccc(cc1)[*:1]
COC[C@@H]1CCCN1C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] COC[C@@H]1CCCN1C(=O)N[C@H]1CCCC[C@H]1[*:1]
COC[C@@H]1CCCN1C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 COC[*:1] O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)N1CCC[C@H]1[*:1]
COC[C@@H]1CCCN1C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] COC[C@@H]1CCCN1C(=O)N[C@H]1CCCC[C@@H]1O[*:1]
O=C(c1nc(-c2ccccc2)nc2c1OCO2)N1CCCC1 O=C(N1CCCC1)[*:1] c1ccc(cc1)-c1nc2OCOc2c(n1)[*:1]
O=C(c1nc(-c2ccccc2)nc2c1OCO2)N1CCCC1 c1ccc(cc1)[*:1] O=C(c1nc(nc2OCOc21)[*:1])N1CCCC1
O=C([O-])C[C@@H]1OC(=O)c2cc3c(cc21)C(=O)O[C@H]3CC(=O)[O-] O=C([O-])[*:1] O=C([O-])C[C@@H]1OC(=O)c2cc3c(cc21)C(=O)O[C@H]3C[*:1]
O=C([O-])C[C@@H]1OC(=O)c2cc3c(cc21)C(=O)O[C@H]3CC(=O)[O-] O=C([O-])C[*:1] O=C([O-])C[C@@H]1OC(=O)c2cc3c(cc21)C(=O)O[C@H]3[*:1]
CCCN1C(=O)c2ccccc2N[C@@]1(CC)c1ccc(OCC)cc1 CCO[*:1] CCCN1C(=O)c2ccccc2N[C@@]1(CC)c1ccc(cc1)[*:1]
CCCN1C(=O)c2ccccc2N[C@@]1(CC)c1ccc(OCC)cc1 CCC[*:1] CCOc1ccc(cc1)[C@]1(CC)Nc2ccccc2C(=O)N1[*:1]
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(CC1)S(=O)(=O)[*:1]
CNS(=O)(=O)c1cccc(NC(=O)c2nc[nH]n2)c1 CNS(=O)(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1nc[nH]n1
Cc1ccccc1CNC(=O)CN1CCOC[C@@H]1CC(C)C CC(C)C[*:1] Cc1ccccc1CNC(=O)CN1CCOC[C@H]1[*:1]
Cc1ccccc1CNC(=O)CN1CCOC[C@@H]1CC(C)C CC(C)[*:1] Cc1ccccc1CNC(=O)CN1CCOC[C@@H]1C[*:1]
Cc1ccccc1CNC(=O)CN1CCOC[C@@H]1CC(C)C Cc1ccccc1[*:1] CC(C)C[C@H]1COCCN1CC(=O)NC[*:1]
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccc(Cl)cc1 Fc1ccccc1[*:1] O=C1C[C@H](CN1c1ccc(Cl)cc1)c1nc2ccccc2n1C[*:1]
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C[C@H](CN1[*:1])c1nc2ccccc2n1Cc1ccccc1F
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccc(Cl)cc1 Fc1ccccc1C[*:1] O=C1C[C@H](CN1c1ccc(Cl)cc1)c1nc2ccccc2n1[*:1]
COCCN(Cc1ccccn1)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] COCCN(Cc1ccccn1)C(=O)N[C@@H](C)[*:1]
COCCN(Cc1ccccn1)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 c1ccc(C[*:1])nc1 COCCN(C(=O)N[C@@H](C)c1ccc(C)c(F)c1)[*:1]
COCCN(Cc1ccccn1)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 c1ccc(nc1)[*:1] COCCN(C[*:1])C(=O)N[C@@H](C)c1ccc(C)c(F)c1
COCCN(Cc1ccccn1)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 COC[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N(Cc1ccccn1)C[*:1]
COCCN(Cc1ccccn1)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 COCC[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N(Cc1ccccn1)[*:1]
COc1cc2c(cc1OC)[C@H](c1c([O-])n(CCc3ccccc3)c(=O)[nH]c1=O)[NH2+]CC2 c1ccc(cc1)CC[*:1] COc1cc2CC[NH2+][C@H](c2cc1OC)c1c([O-])n(c(=O)[nH]c1=O)[*:1]
COc1cc2c(cc1OC)[C@H](c1c([O-])n(CCc3ccccc3)c(=O)[nH]c1=O)[NH2+]CC2 c1ccc(cc1)C[*:1] COc1cc2CC[NH2+][C@H](c2cc1OC)c1c([O-])n(C[*:1])c(=O)[nH]c1=O
COc1cc2c(cc1OC)[C@H](c1c([O-])n(CCc3ccccc3)c(=O)[nH]c1=O)[NH2+]CC2 c1ccc(cc1)[*:1] COc1cc2CC[NH2+][C@H](c2cc1OC)c1c([O-])n(CC[*:1])c(=O)[nH]c1=O
N#C[C@H](COC(=O)[C@@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 c1ccc(cc1)[*:1] N#C[C@H](COC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C[*:1]
N#C[C@H](COC(=O)[C@@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 c1ccc(cc1)C[*:1] N#C[C@H](COC(=O)[C@@H]1Cc2ccccc2C(=O)O1)[*:1]
CC[C@H](C)C[C@@H](C[NH2+]C)c1cccc(Br)c1 CC[C@H](C)C[*:1] C[NH2+]C[C@@H](c1cccc(Br)c1)[*:1]
CC[C@H](C)C[C@@H](C[NH2+]C)c1cccc(Br)c1 CC[C@H](C)[*:1] C[NH2+]C[C@H](C[*:1])c1cccc(Br)c1
Cc1cc(CN(C)[C@@H](C)c2cccnc2)nc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1cc(CN(C)[C@@H](C)c2cccnc2)nc(n1)[*:1]
Cc1cc(CN(C)[C@@H](C)c2cccnc2)nc(-c2ccc(Cl)cc2)n1 c1cncc(c1)[*:1] Cc1cc(CN(C)[C@@H](C)[*:1])nc(n1)-c1ccc(Cl)cc1
Cc1nn(C)c(C)c1C[NH2+]C[C@H](O)COC(C)(C)C CC(C)(C)OC[*:1] Cc1nn(C)c(C)c1C[NH2+]C[C@H](O)[*:1]
Cc1nn(C)c(C)c1C[NH2+]C[C@H](O)COC(C)(C)C CC(C)(C)O[*:1] Cc1nn(C)c(C)c1C[NH2+]C[C@H](O)C[*:1]
Cc1nn(C)c(C)c1C[NH2+]C[C@H](O)COC(C)(C)C CC(C)(C)[*:1] Cc1nn(C)c(C)c1C[NH2+]C[C@H](O)CO[*:1]
C=CCS(=O)(=O)/N=C(\[O-])[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1 CC[C@H](C)[*:1] C=CCS(=O)(=O)/N=C(\[O-])[C@@H]1CCCN(C1)C(=O)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1 C=CC[*:1] CC[C@H](C)C(=O)N1CCC[C@H](C1)/C([O-])=N/S(=O)(=O)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1c1nncs1 Fc1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](N1c1nncs1)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1c1nncs1 c1nnc(s1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1[*:1]
CC(C)c1cc(Br)ccc1OCC[C@@H]1CCCC[NH2+]1 CC(C)[*:1] Brc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(c1)[*:1]
COc1ccccc1CN1CCC[C@H](c2nnc(-c3scnc3C)o2)C1 COc1ccccc1[*:1] Cc1ncsc1-c1nnc(o1)[C@H]1CCCN(C1)C[*:1]
COc1ccccc1CN1CCC[C@H](c2nnc(-c3scnc3C)o2)C1 Cc1ncsc1[*:1] COc1ccccc1CN1CCC[C@@H](C1)c1nnc(o1)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)N1CCC[C@](CO)(Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N1CCC[C@@](CO)(C1)C[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)N1CCC[C@](CO)(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N1CCC[C@](CO)(C1)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CCc1ccccn1 c1ccc(nc1)[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CC[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CCc1ccccn1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)N(C)CCc1ccccn1
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CCc1ccccn1 c1ccc(C[*:1])nc1 CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)C[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CCc1ccccn1 CC(=O)N[*:1] CN(CCc1ccccn1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CCc1ccccn1 c1ccc(CC[*:1])nc1 CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[*:1]
Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccccc1C Cc1ccccc1[*:1] Cc1ccc(Cl)cc1NC(=S)NC(=O)[*:1]
CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1[*:1]
CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@@H](C)Sc1nnc(n1-c1ccc(F)cc1)[*:1]
CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 CNC(=O)NC(=O)[*:1] C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 Clc1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1cccc(c1)C(=O)N1CCCC1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 Clc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)C(=O)N1CCCC1
CCCCCc1nnc(NC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)s1 CCCCC[*:1] CCN(C(=O)Nc1nnc(s1)[*:1])[C@H]1CCS(=O)(=O)C1
CCCCCc1nnc(NC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)s1 CCC[*:1] CCN(C(=O)Nc1nnc(CC[*:1])s1)[C@H]1CCS(=O)(=O)C1
CCCCCc1nnc(NC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)s1 CCCC[*:1] CCN(C(=O)Nc1nnc(C[*:1])s1)[C@H]1CCS(=O)(=O)C1
CCCCCc1nnc(NC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)s1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCCc1nnc(NC(=O)N(CC)[*:1])s1
CCc1nn(C)cc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 CCc1nn(C)cc1[*:1] O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[*:1]
C[C@@H]([NH3+])c1cccc(SCCC(C)(C)O)c1 CC(C)(O)[*:1] C[C@@H]([NH3+])c1cccc(c1)SCC[*:1]
C[C@@H]([NH3+])c1cccc(SCCC(C)(C)O)c1 CC(C)(O)C[*:1] C[C@@H]([NH3+])c1cccc(c1)SC[*:1]
COc1ccc([C@@H](NC(=O)N2CCOc3ccccc3C2)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H](C1CC1)[*:1])N1CCOc2ccccc2C1
COc1ccc([C@@H](NC(=O)N2CCOc3ccccc3C2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)N1CCOc2ccccc2C1)[*:1]
O=S1(=O)C[C@H](O)[C@@H](NCC/[NH+]=C/c2ccccc2)C1 c1ccc(cc1)[*:1] O=S1(=O)C[C@H](O)[C@H](C1)NCC[NH+]=C[*:1]
CCCn1/c(=N/C(=O)C[C@H]2CCCCN2C(C)=O)[nH]c2ccccc21 CCC[*:1] CC(=O)N1CCCC[C@@H]1CC(=O)/N=c1\[nH]c2ccccc2n1[*:1]
C[C@H](SCC(=O)N(C)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](SCC(=O)N(C)c1ccccc1)[*:1]
C[C@H](SCC(=O)N(C)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](SCC(=O)N(C)[*:1])c1ccccc1
FC(F)C(F)(F)[C@H](Br)c1ccc2c(c1)COC2 FC(F)[*:1] FC(F)([C@H](Br)c1ccc2COCc2c1)[*:1]
CCc1ccc([C@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)o1 CCc1ccc(o1)[*:1] CC(C)OC(=O)N1CCC(CC1)[NH2+][C@@H](C)[*:1]
CCc1ccc([C@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)o1 CC(C)[*:1] CCc1ccc(o1)[C@H](C)[NH2+]C1CCN(CC1)C(=O)O[*:1]
Cc1c(C(=O)Oc2ccc(C(=O)Nc3cccnc3)cc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Oc1ccc(cc1)C(=O)Nc1cccnc1
Cc1c(C(=O)Oc2ccc(C(=O)Nc3cccnc3)cc2)cnn1C(C)C c1cncc(c1)[*:1] Cc1c(cnn1C(C)C)C(=O)Oc1ccc(cc1)C(=O)N[*:1]
Cc1c(C(=O)Oc2ccc(C(=O)Nc3cccnc3)cc2)cnn1C(C)C O=C(Nc1cccnc1)[*:1] Cc1c(cnn1C(C)C)C(=O)Oc1ccc(cc1)[*:1]
Cc1c(C(=O)Oc2ccc(C(=O)Nc3cccnc3)cc2)cnn1C(C)C Cc1c(cnn1C(C)C)[*:1] O=C(Nc1cccnc1)c1ccc(cc1)OC(=O)[*:1]
C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(Br)c1)N(C(C)=O)c1ccccc1-2 C=CCS[*:1] COc1ccc(cc1Br)[C@@H]1Oc2nc(nnc2-c2ccccc2N1C(C)=O)[*:1]
C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(Br)c1)N(C(C)=O)c1ccccc1-2 COc1ccc(cc1Br)[*:1] C=CCSc1nnc2-c3ccccc3N(C(C)=O)[C@H](Oc2n1)[*:1]
C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(Br)c1)N(C(C)=O)c1ccccc1-2 C=CC[*:1] COc1ccc(cc1Br)[C@@H]1Oc2nc(nnc2-c2ccccc2N1C(C)=O)S[*:1]
Cc1cccc([C@H]2c3cccn3CCN2C(=O)CCC(=O)NCc2cccc(C(F)(F)F)c2)c1 FC(F)(F)c1cccc(c1)C[*:1] Cc1cccc(c1)[C@H]1c2cccn2CCN1C(=O)CCC(=O)N[*:1]
Cc1cccc([C@H]2c3cccn3CCN2C(=O)CCC(=O)NCc2cccc(C(F)(F)F)c2)c1 Cc1cccc(c1)[*:1] O=C(CCC(=O)N1CCn2cccc2[C@@H]1[*:1])NCc1cccc(c1)C(F)(F)F
Cc1cccc([C@H]2c3cccn3CCN2C(=O)CCC(=O)NCc2cccc(C(F)(F)F)c2)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1cccc(c1)[C@H]1c2cccn2CCN1C(=O)CCC(=O)NC[*:1]
Cc1cccc([C@H]2c3cccn3CCN2C(=O)CCC(=O)NCc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] Cc1cccc(c1)[C@H]1c2cccn2CCN1C(=O)CCC(=O)NCc1cccc(c1)[*:1]
Cc1nc([C@@H]2CCCCN2C(=O)C2CCCCC2)nc2c1CCC(=O)N2Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(nc2c1CCC(=O)N2[*:1])[C@@H]1CCCCN1C(=O)C1CCCCC1
Cc1nc([C@@H]2CCCCN2C(=O)C2CCCCC2)nc2c1CCC(=O)N2Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(nc2c1CCC(=O)N2C[*:1])[C@@H]1CCCCN1C(=O)C1CCCCC1
Cc1nc([C@@H]2CCCCN2C(=O)C2CCCCC2)nc2c1CCC(=O)N2Cc1ccccc1 C1CCC(CC1)[*:1] Cc1nc(nc2c1CCC(=O)N2Cc1ccccc1)[C@@H]1CCCCN1C(=O)[*:1]
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)Nc1nccs1 c1ccc(cc1)C[*:1] O=C(CSc1nc2ccsc2c(=O)n1[*:1])Nc1nccs1
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)Nc1nccs1 c1csc(n1)[*:1] O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)N[*:1]
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)Nc1nccs1 c1ccc(cc1)[*:1] O=C(CSc1nc2ccsc2c(=O)n1C[*:1])Nc1nccs1
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)Nc1nccs1 O=C(Nc1nccs1)[*:1] O=c1c2sccc2nc(SC[*:1])n1Cc1ccccc1
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)Nc1nccs1 O=C(C[*:1])Nc1nccs1 O=c1c2sccc2nc(S[*:1])n1Cc1ccccc1
CCCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)c2ccccc21 COC(=O)[*:1] CCCN1C(=O)[C@]2(C3C(=O)CCCC=3OC(N)=C2[*:1])c2ccccc21
CCCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)c2ccccc21 CCC[*:1] COC(=O)C1=C(N)OC2CCCC(=O)C=2[C@]12C(=O)N(c1ccccc12)[*:1]
CCC(CC)n1nccc1C(=O)N1CC[C@@H](C)[C@H](O)C1 CCC(CC)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1ccnn1[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nnc(-c2ccc[nH]2)o1 Cc1c(Cl)cccc1[*:1] O=C(CSc1nnc(o1)-c1ccc[nH]1)NCC(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nnc(-c2ccc[nH]2)o1 c1c[nH]c(c1)[*:1] Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nnc(o1)[*:1]
CCS(=O)(=O)[C@@H]1CSCCN1CC1(CS)CCCC1 CCS(=O)(=O)[*:1] SCC1(CCCC1)CN1CCSC[C@H]1[*:1]
O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc2c(c1)CCC(=O)N2 O=c1ccn(c(=O)[nH]1)[*:1] O=C(CC[*:1])Nc1ccc2NC(=O)CCc2c1
CN(CC(C)(C)O)C(=O)c1cccc(I)c1 CC(C)(O)[*:1] CN(C[*:1])C(=O)c1cccc(I)c1
CN(CC(C)(C)O)C(=O)c1cccc(I)c1 CC(C)(O)C[*:1] CN(C(=O)c1cccc(I)c1)[*:1]
Cc1cccc(C(=O)OCC(=O)N(C)C[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C(=O)OCC(=O)N(C)C[C@@H]2COc3ccccc3O2)c1[*:1]
CCc1cnc(CN(C)S(=O)(=O)c2ccc(C)c3ncccc23)s1 CCc1cnc(s1)[*:1] Cc1ccc(c2cccnc12)S(=O)(=O)N(C)C[*:1]
CCc1cnc(CN(C)S(=O)(=O)c2ccc(C)c3ncccc23)s1 CCc1cnc(C[*:1])s1 Cc1ccc(c2cccnc12)S(=O)(=O)N(C)[*:1]
[NH3+][C@@H](Cc1csc([C@@H]2CSCCS2)n1)c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@@H](Cc1csc(n1)[C@@H]1CSCCS1)[*:1]
Cc1nc(C2CCN(C(=O)NCc3cccc(N(C)C)c3)CC2)no1 CN(C)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)NCc1cccc(c1)[*:1]
Cc1nc(C2CCN(C(=O)NCc3cccc(N(C)C)c3)CC2)no1 Cc1nc(no1)[*:1] CN(C)c1cccc(c1)CNC(=O)N1CCC(CC1)[*:1]
CCOc1cccc2c1OCC(C(=O)N[C@@H](C)c1ccncc1)=C2 CCO[*:1] C[C@H](NC(=O)C1=Cc2cccc(c2OC1)[*:1])c1ccncc1
CCOc1cccc2c1OCC(C(=O)N[C@@H](C)c1ccncc1)=C2 c1cc(ccn1)[*:1] CCOc1cccc2C=C(COc21)C(=O)N[C@@H](C)[*:1]
CCOc1cccc2c1OCC(C(=O)N[C@@H](C)c1ccncc1)=C2 C[C@@H](c1ccncc1)[*:1] CCOc1cccc2C=C(COc21)C(=O)N[*:1]
CN([C@H]1CCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] CN([C@H]1CCC[C@@H]1S(C)(=O)=O)S(=O)(=O)[*:1]
CN([C@H]1CCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1ccccc1F CS(=O)(=O)[*:1] CN([C@H]1CCC[C@H]1[*:1])S(=O)(=O)c1ccccc1F
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)C1 Clc1ccccc1O[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N1CCC[C@@H](C1)C[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)C1 Clc1ccccc1[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N1CCC[C@H](CO[*:1])C1
C[C@H](CNC(=O)N(Cc1ccccc1)C1CC1)C[NH+]1CCCCC1 C1CC1[*:1] C[C@H](CNC(=O)N(Cc1ccccc1)[*:1])C[NH+]1CCCCC1
C[C@H](CNC(=O)N(Cc1ccccc1)C1CC1)C[NH+]1CCCCC1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)N(C[*:1])C1CC1)C[NH+]1CCCCC1
C[C@H](CNC(=O)N(Cc1ccccc1)C1CC1)C[NH+]1CCCCC1 c1ccc(cc1)C[*:1] C[C@H](CNC(=O)N(C1CC1)[*:1])C[NH+]1CCCCC1
C=CCCC[C@H](C)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 C=CC[*:1] C[C@@H](CC[*:1])[NH+]1CCN(CC1)c1ccc(cc1)C(N)=O
C=CCCC[C@H](C)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 NC(=O)[*:1] C=CCCC[C@H](C)[NH+]1CCN(CC1)c1ccc(cc1)[*:1]
C=CCCC[C@H](C)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 C=CCC[*:1] C[C@@H](C[*:1])[NH+]1CCN(CC1)c1ccc(cc1)C(N)=O
C=CCCC[C@H](C)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 C=CCCC[*:1] C[C@H]([NH+]1CCN(CC1)c1ccc(cc1)C(N)=O)[*:1]
COc1cc2c(cc1OC)CCN(C(=O)c1sc(C)nc1C)CC2 Cc1nc(C)c(s1)[*:1] COc1cc2CCN(CCc2cc1OC)C(=O)[*:1]
COC(=O)CNC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 COC(=O)CNC(=O)[*:1] O=C1[C@@H]2CCCN2C(=O)c2ccccc2N1C[*:1]
COC(=O)CNC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 COC(=O)[*:1] O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)NC[*:1]
COC(=O)CNC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 COC(=O)C[*:1] O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)N[*:1]
CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)c1 CC(=O)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)c1 CC(C)[*:1] CC(=O)c1cccc(c1)NC(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)[*:1]
CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)c1 CC(C)N(C)S(=O)(=O)[*:1] CC(=O)c1cccc(c1)NC(=O)c1cc(ccc1Cl)[*:1]
CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)c1 CC(=O)c1cccc(c1)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
O=C(N[C@H](c1ccccc1)c1ccco1)c1ccc(N2CCNC2=O)cc1 c1coc(c1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1ccc(cc1)N1CCNC1=O
O=C(N[C@H](c1ccccc1)c1ccco1)c1ccc(N2CCNC2=O)cc1 c1ccc(cc1)[*:1] O=C(N[C@H](c1ccco1)[*:1])c1ccc(cc1)N1CCNC1=O
O=C(N[C@H](c1ccccc1)c1ccco1)c1ccc(N2CCNC2=O)cc1 O=C1NCCN1[*:1] O=C(N[C@H](c1ccccc1)c1ccco1)c1ccc(cc1)[*:1]
O=C([O-])c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 O=C([O-])[*:1] Fc1cc(Br)cc(c1)-c1nc2ccc(cc2[nH]1)[*:1]
CCCOC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(C)cc1)CCC2 Cc1ccc(cc1)[*:1] CCCOC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
CCCOC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(C)cc1)CCC2 CCC[*:1] Cc1ccc(cc1)C(=O)N/N=C1\CCCc2oc(C(=O)O[*:1])c(C)c21
CCCOC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(C)cc1)CCC2 CCCOC(=O)[*:1] Cc1ccc(cc1)C(=O)N/N=C1\CCCc2oc(c(C)c21)[*:1]
CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[*:1])C1
CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(C)cc2)C1 CC[C@H](C)NC(=O)[*:1] Cc1ccc(cc1)CCN1C[C@@H](CC1=O)[*:1]
CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(C)cc2)C1 CC[C@H](C)[*:1] Cc1ccc(cc1)CCN1C[C@@H](CC1=O)C(=O)N[*:1]
CCN(CCC#N)Cc1coc(-c2ccc(F)c(F)c2)n1 CCN(CCC#N)[*:1] Fc1ccc(cc1F)-c1nc(co1)C[*:1]
CCN(CCC#N)Cc1coc(-c2ccc(F)c(F)c2)n1 N#CCC[*:1] CCN(Cc1coc(n1)-c1ccc(F)c(F)c1)[*:1]
CCN(CCC#N)Cc1coc(-c2ccc(F)c(F)c2)n1 N#CC[*:1] CCN(Cc1coc(n1)-c1ccc(F)c(F)c1)C[*:1]
C[C@@H](NC(=O)N(C)Cc1nccs1)C(C)(C)c1ccccc1 c1csc(n1)[*:1] C[C@@H](NC(=O)N(C)C[*:1])C(C)(C)c1ccccc1
C[C@@H](NC(=O)N(C)Cc1nccs1)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N(C)Cc1nccs1)C(C)(C)[*:1]
C[C@@H](NC(=O)N(C)Cc1nccs1)C(C)(C)c1ccccc1 c1csc(C[*:1])n1 C[C@@H](NC(=O)N(C)[*:1])C(C)(C)c1ccccc1
CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)CC1 CC(C)n1cnc(c1)[*:1] CC1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1cn(cn1)[*:1]
Cc1cccc(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)[O-])sc3c2CCCCC3)c1 Cc1cccc(c1)[*:1] C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2CCCCCc2c1C(=O)N[*:1]
Cc1cccc(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)[O-])sc3c2CCCCC3)c1 O=C([O-])[*:1] Cc1cccc(c1)NC(=O)c1c(NC(=O)C[C@@H](C)C[*:1])sc2CCCCCc21
Cc1cccc(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)[O-])sc3c2CCCCC3)c1 Cc1cccc(c1)NC(=O)[*:1] C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2CCCCCc2c1[*:1]
CCOC(=O)c1ccc(NC(=O)[C@H]2Nc3cc(F)ccc3S(=O)(=O)N2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1Nc2cc(F)ccc2S(=O)(=O)N1
COc1cccc(-c2nn(C)c3sc(C(=O)Nc4ccc(OC)c(OC)c4)cc23)c1 COc1ccc(cc1OC)[*:1] COc1cccc(c1)-c1nn(C)c2sc(cc12)C(=O)N[*:1]
COc1cccc(-c2nn(C)c3sc(C(=O)Nc4ccc(OC)c(OC)c4)cc23)c1 COc1cccc(c1)[*:1] COc1ccc(cc1OC)NC(=O)c1cc2c(nn(C)c2s1)[*:1]
Cn1ncnc1NC(=O)NCCc1nc2ccccc2s1 Cn1ncnc1[*:1] O=C(NCCc1nc2ccccc2s1)N[*:1]
COc1ccccc1-c1cc(COC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)on1 COc1ccccc1[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCc1cc(no1)[*:1]
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NCc1ccccn1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccc(F)cc2)n1[*:1])NCc1ccccn1
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NC[*:1]
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NCc1ccccn1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])NCc1ccccn1
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NCc1ccccn1 O=C(NCc1ccccn1)[*:1] Fc1ccc(cc1)-c1nnc(SC[*:1])n1-c1ccccc1
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)N[*:1]
O=C([O-])[C@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1 O=C([O-])[*:1] O=C1CC[C@@H]([C@H](c2ccccc2)N1C1CCCCC1)[*:1]
O=C([O-])[C@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1 C1CCC(CC1)[*:1] O=C([O-])[C@H]1CCC(=O)N([C@H]1c1ccccc1)[*:1]
O=C([O-])[C@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H]1CCC(=O)N(C2CCCCC2)[C@@H]1[*:1]
Cc1ccc(C[C@H]2CCCN2C(=O)c2cncc(Br)c2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cncc(Br)c1)N1CCC[C@@H]1C[*:1]
Cc1ccc(C[C@H]2CCCN2C(=O)c2cncc(Br)c2)cc1 Brc1cncc(c1)[*:1] Cc1ccc(cc1)C[C@H]1CCCN1C(=O)[*:1]
CN(C)c1ccc(C(=O)NCc2cccs2)cc1[N+](=O)[O-] CN(C)[*:1] O=C(NCc1cccs1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN(C)c1ccc(C(=O)NCc2cccs2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C)c1ccc(cc1[*:1])C(=O)NCc1cccs1
CN(C)c1ccc(C(=O)NCc2cccs2)cc1[N+](=O)[O-] c1csc(c1)[*:1] CN(C)c1ccc(cc1[N+](=O)[O-])C(=O)NC[*:1]
CN(C)c1ccc(C(=O)NCc2cccs2)cc1[N+](=O)[O-] c1csc(c1)C[*:1] CN(C)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
CC(=O)Nc1ccc(N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 CC(=O)N[*:1] c1cc(ccc1N[C@@H]1CCO[C@@]2(CCSC2)C1)[*:1]
CC(C)[C@@H](C)CC(=O)Nc1ccc(F)c(F)c1F CC(C)[C@@H](C)C[*:1] O=C(Nc1ccc(F)c(F)c1F)[*:1]
CC(C)[C@@H](C)CC(=O)Nc1ccc(F)c(F)c1F CC(C)[*:1] C[C@@H](CC(=O)Nc1ccc(F)c(F)c1F)[*:1]
CC(C)[C@@H](C)CC(=O)Nc1ccc(F)c(F)c1F CC(C)[C@@H](C)[*:1] O=C(C[*:1])Nc1ccc(F)c(F)c1F
C[NH+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3cccnc3)CC2)[C@H]1O c1cncc(c1)C[*:1] C[NH+](C)[C@@H]1c2ccccc2C2(CCN(CC2)C(=O)C[*:1])[C@H]1O
C[NH+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3cccnc3)CC2)[C@H]1O c1cncc(c1)CC[*:1] C[NH+](C)[C@@H]1c2ccccc2C2(CCN(CC2)C(=O)[*:1])[C@H]1O
C[NH+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3cccnc3)CC2)[C@H]1O c1cncc(c1)[*:1] C[NH+](C)[C@@H]1c2ccccc2C2(CCN(CC2)C(=O)CC[*:1])[C@H]1O
Cc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H](C(=O)OCC(=O)[*:1])N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O
Cc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 Cc1ccc(cc1)C(=O)[*:1] CC(C)[C@H](C(=O)OC[*:1])N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O
Cc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)COC(=O)[C@@H](N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)[*:1]
CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CC(C)(C)CC2=O)N1 O=[N+]([O-])[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)Nc1cc(C)ccn1)c1cc(ccc1Cl)[*:1]
CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CC(C)(C)CC2=O)N1 Cc1ccnc(c1)NC(=O)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CC(C)(C)CC2=O)N1 O=[N+]([O-])c1ccc(Cl)c(c1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)Nc1cc(C)ccn1)[*:1]
CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CC(C)(C)CC2=O)N1 Cc1ccnc(c1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)N[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
C[C@@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccoc1 c1cc(co1)[*:1] C[C@@H](CN1CCCC1=O)[NH2+][C@H](C)[*:1]
C#CCN/C(NCCc1cccc(C(=O)NC)c1)=[NH+]/C C#CC[*:1] CNC(=O)c1cccc(c1)CCN/C(N[*:1])=[NH+]\C
C#CCN/C(NCCc1cccc(C(=O)NC)c1)=[NH+]/C CNC(=O)[*:1] C#CCN/C(NCCc1cccc(c1)[*:1])=[NH+]/C
C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)n1c(=O)oc2ccccc21 O=[N+]([O-])[*:1] C[C@H](C(=O)N1CCc2ccc(cc21)[*:1])n1c(=O)oc2ccccc21
CNC(=O)c1cc(C)ccc1N[C@@H]1CCN(c2sccc2C#N)C1=O CNC(=O)[*:1] Cc1ccc(N[C@@H]2CCN(C2=O)c2sccc2C#N)c(c1)[*:1]
CNC(=O)c1cc(C)ccc1N[C@@H]1CCN(c2sccc2C#N)C1=O N#Cc1ccsc1[*:1] CNC(=O)c1cc(C)ccc1N[C@@H]1CCN(C1=O)[*:1]
O=C(Nc1cc(-c2ccc(C(F)(F)F)cc2)no1)c1ccncc1 FC(F)(F)[*:1] O=C(Nc1cc(no1)-c1ccc(cc1)[*:1])c1ccncc1
O=C(Nc1cc(-c2ccc(C(F)(F)F)cc2)no1)c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1cc(no1)-c1ccc(cc1)C(F)(F)F)[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N[C@@]3(C#N)CCSC3)s2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nc(sc1C(=O)N[C@@]1(C#N)CCSC1)[*:1]
Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)OCc3ncon3)cc12 c1nc(no1)[*:1] Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(cc12)C(=O)OC[*:1]
Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)OCc3ncon3)cc12 O=C(OCc1ncon1)[*:1] Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(cc12)[*:1]
Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)OCc3ncon3)cc12 c1nc(C[*:1])no1 Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(cc12)C(=O)O[*:1]
Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)OCc3ncon3)cc12 Clc1cccc(Cl)c1C[*:1] Cc1nn(c2sc(cc12)C(=O)OCc1ncon1)[*:1]
Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)OCc3ncon3)cc12 Clc1cccc(Cl)c1[*:1] Cc1nn(C[*:1])c2sc(cc12)C(=O)OCc1ncon1
CC(C)CC[C@@]1(C2CCN(C(=O)c3cccc(F)c3F)CC2)NC(=O)N(Cc2ccccn2)C1=O c1ccc(nc1)[*:1] CC(C)CC[C@]1(NC(=O)N(C[*:1])C1=O)C1CCN(CC1)C(=O)c1cccc(F)c1F
CC(C)CC[C@@]1(C2CCN(C(=O)c3cccc(F)c3F)CC2)NC(=O)N(Cc2ccccn2)C1=O Fc1cccc(c1F)[*:1] CC(C)CC[C@]1(NC(=O)N(Cc2ccccn2)C1=O)C1CCN(CC1)C(=O)[*:1]
CC(C)CC[C@@]1(C2CCN(C(=O)c3cccc(F)c3F)CC2)NC(=O)N(Cc2ccccn2)C1=O CC(C)[*:1] O=C(c1cccc(F)c1F)N1CCC(CC1)[C@]1(CC[*:1])NC(=O)N(Cc2ccccn2)C1=O
CC(C)CC[C@@]1(C2CCN(C(=O)c3cccc(F)c3F)CC2)NC(=O)N(Cc2ccccn2)C1=O CC(C)CC[*:1] O=C(c1cccc(F)c1F)N1CCC(CC1)[C@]1(NC(=O)N(Cc2ccccn2)C1=O)[*:1]
CC(C)CC[C@@]1(C2CCN(C(=O)c3cccc(F)c3F)CC2)NC(=O)N(Cc2ccccn2)C1=O c1ccc(C[*:1])nc1 CC(C)CC[C@]1(NC(=O)N(C1=O)[*:1])C1CCN(CC1)C(=O)c1cccc(F)c1F
CC(C)CC[C@@]1(C2CCN(C(=O)c3cccc(F)c3F)CC2)NC(=O)N(Cc2ccccn2)C1=O CC(C)C[*:1] O=C(c1cccc(F)c1F)N1CCC(CC1)[C@]1(C[*:1])NC(=O)N(Cc2ccccn2)C1=O
Cc1ccc([C@H](NC(=O)NCCc2nc3ccccc3[nH]2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](NC(=O)NCCc1nc2ccccc2[nH]1)[*:1]
Cc1ccc([C@H](NC(=O)NCCc2nc3ccccc3[nH]2)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1nc2ccccc2[nH]1)N[C@H](C1CC1)[*:1]
Cc1c(C)c2ccc(OC[C@H]3CO3)c(C)c2oc1=O C1O[C@H]1[*:1] Cc1c(C)c2ccc(OC[*:1])c(C)c2oc1=O
Cc1c(C)c2ccc(OC[C@H]3CO3)c(C)c2oc1=O C1O[C@H]1CO[*:1] Cc1c(C)c2ccc(c(C)c2oc1=O)[*:1]
Cc1c(C)c2ccc(OC[C@H]3CO3)c(C)c2oc1=O C1O[C@H]1C[*:1] Cc1c(C)c2ccc(O[*:1])c(C)c2oc1=O
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCCCC4)c3N2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)[C@H]1C[C@@H](n2ncc(C(=O)N3CCCCC3)c2N1)[*:1]
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCCCC4)c3N2)cc1OC O=C(N1CCCCC1)[*:1] COc1ccc(cc1OC)[C@H]1C[C@H](n2ncc(c2N1)[*:1])C(F)(F)F
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCCCC4)c3N2)cc1OC COc1ccc(cc1OC)[*:1] O=C(c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)[*:1])N1CCCCC1
COC(=O)c1c(SCc2ccccc2Br)nc(=O)[nH]c1C COC(=O)[*:1] Cc1[nH]c(=O)nc(SCc2ccccc2Br)c1[*:1]
COC(=O)c1c(SCc2ccccc2Br)nc(=O)[nH]c1C Brc1ccccc1[*:1] COC(=O)c1c(nc(=O)[nH]c1C)SC[*:1]
CC(C)[C@H](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 CC(C)[C@H](C)C[*:1] O=C(N1CCc2cc(ccc21)[N+](=O)[O-])[*:1]
CC(C)[C@H](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 CC(C)[C@H](C)[*:1] O=C(C[*:1])N1CCc2cc(ccc21)[N+](=O)[O-]
CC(C)[C@H](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 CC(C)[*:1] C[C@H](CC(=O)N1CCc2cc(ccc21)[N+](=O)[O-])[*:1]
CC(C)[C@H](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CC(C)[C@H](C)CC(=O)N1CCc2cc(ccc21)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CCC1 CC[C@H](C)[*:1] NC(=O)N[C@H](C(=O)NCC1(CCC1)c1ccccc1)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CCC1 NC(=O)N[*:1] CC[C@H](C)[C@H](C(=O)NCC1(CCC1)c1ccccc1)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(N)=O)C(=O)NCC1(CCC1)[*:1]
Cc1nn(C(C)C)c(C)c1[C@H](C)[NH2+]Cc1ccnc(O[C@H]2CCOC2)c1 C1C[C@@H](CO1)O[*:1] Cc1nn(c(C)c1[C@H](C)[NH2+]Cc1ccnc(c1)[*:1])C(C)C
Cc1nn(C(C)C)c(C)c1[C@H](C)[NH2+]Cc1ccnc(O[C@H]2CCOC2)c1 CC(C)[*:1] Cc1nn(c(C)c1[C@H](C)[NH2+]Cc1ccnc(c1)O[C@H]1CCOC1)[*:1]
Cc1nn(C(C)C)c(C)c1[C@H](C)[NH2+]Cc1ccnc(O[C@H]2CCOC2)c1 C1C[C@@H](CO1)[*:1] Cc1nn(c(C)c1[C@H](C)[NH2+]Cc1ccnc(c1)O[*:1])C(C)C
CC[C@H](C(=O)NCCc1n[nH]c(=O)[nH]1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](C(=O)NCCc1n[nH]c(=O)[nH]1)c1cccc(c1)[*:1]
CC[C@H](C(=O)NCCc1n[nH]c(=O)[nH]1)c1cccc(C(F)(F)F)c1 O=c1[nH]nc([nH]1)[*:1] CC[C@H](C(=O)NCC[*:1])c1cccc(c1)C(F)(F)F
CC[C@H](C(=O)NCCc1n[nH]c(=O)[nH]1)c1cccc(C(F)(F)F)c1 O=c1[nH]nc(C[*:1])[nH]1 CC[C@H](C(=O)NC[*:1])c1cccc(c1)C(F)(F)F
CC[C@H](C(=O)NCCc1n[nH]c(=O)[nH]1)c1cccc(C(F)(F)F)c1 O=c1[nH]nc(CC[*:1])[nH]1 CC[C@H](C(=O)N[*:1])c1cccc(c1)C(F)(F)F
Cc1ccc(OCC(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CO[*:1])Nc1nc(cs1)-c1ccccn1
Cc1ccc(OCC(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1 c1ccc(nc1)[*:1] Cc1ccc(OCC(=O)Nc2nc(cs2)[*:1])c(C)c1
Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H](O)C1CCOCC1)CCO2 C1CC(CCO1)[*:1] Cc1cc(C)c2OCC[C@@H]([NH2+]C[C@@H](O)[*:1])c2c1
CCCn1nc(C(=O)NC2CCCCCC2)c2ccccc2c1=O CCC[*:1] O=C(NC1CCCCCC1)c1nn(c(=O)c2ccccc12)[*:1]
CCCn1nc(C(=O)NC2CCCCCC2)c2ccccc2c1=O C1CCCC(CC1)[*:1] CCCn1nc(C(=O)N[*:1])c2ccccc2c1=O
COc1ccc(OCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 COc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)N1CCCCCC1
COc1ccc(OCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)C(=O)N1CCCCCC1
COc1ccc(OCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1 O=C(N1CCCCCC1)[*:1] COc1ccc(cc1)OCC(=O)Nc1ccc(cc1)[*:1]
COCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] COCC[NH2+]C1CCN(CC1)C(=O)O[*:1]
COCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 COCC[*:1] CC(C)(C)OC(=O)N1CCC(CC1)[NH2+][*:1]
COCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 COC[*:1] CC(C)(C)OC(=O)N1CCC(CC1)[NH2+]C[*:1]
CN(CCc1cccs1)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 c1csc(c1)C[*:1] CN(C[*:1])[C@H](C[NH3+])c1cc(F)c(F)c(F)c1
CN(CCc1cccs1)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 c1csc(c1)[*:1] CN(CC[*:1])[C@H](C[NH3+])c1cc(F)c(F)c(F)c1
CN(CCc1cccs1)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 c1csc(c1)CC[*:1] CN([C@H](C[NH3+])c1cc(F)c(F)c(F)c1)[*:1]
CSc1ccccc1NC(=O)C(=O)NCC[C@@H](O)c1ccco1 c1coc(c1)[*:1] CSc1ccccc1NC(=O)C(=O)NCC[C@@H](O)[*:1]
COCCN1C(N)=[NH+]C[C@]12CCc1cc(Br)ccc1C2 COC[*:1] NC1=[NH+]C[C@]2(CCc3cc(Br)ccc3C2)N1C[*:1]
COCCN1C(N)=[NH+]C[C@]12CCc1cc(Br)ccc1C2 COCC[*:1] NC1=[NH+]C[C@]2(CCc3cc(Br)ccc3C2)N1[*:1]
Cc1ccc(CC(=O)NCc2cccc(C(N)=O)c2)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1cccc(c1)CNC(=O)C[*:1]
Cc1ccc(CC(=O)NCc2cccc(C(N)=O)c2)cc1 NC(=O)[*:1] Cc1ccc(cc1)CC(=O)NCc1cccc(c1)[*:1]
O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(F)cc1 Fc1ccc(cc1)N[*:1] O=C(Nc1cccc(Br)c1)c1cccnc1[*:1]
O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(Br)c1)c1cccnc1N[*:1]
O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(F)cc1 Brc1cccc(c1)[*:1] O=C(N[*:1])c1cccnc1Nc1ccc(F)cc1
CC(C)C[C@](C)(NC(=O)c1cccc2cc[nH]c12)C(N)=O CC(C)C[*:1] C[C@](NC(=O)c1cccc2cc[nH]c12)(C(N)=O)[*:1]
CC(C)C[C@](C)(NC(=O)c1cccc2cc[nH]c12)C(N)=O NC(=O)[*:1] CC(C)C[C@](C)(NC(=O)c1cccc2cc[nH]c12)[*:1]
CC(C)C[C@](C)(NC(=O)c1cccc2cc[nH]c12)C(N)=O CC(C)[*:1] C[C@@](C[*:1])(NC(=O)c1cccc2cc[nH]c12)C(N)=O
O=C([O-])[C@@H]1CN(c2ncccn2)CCN1C(=O)C1CCOCC1 C1CC(CCO1)[*:1] O=C([O-])[C@@H]1CN(CCN1C(=O)[*:1])c1ncccn1
O=C([O-])[C@@H]1CN(c2ncccn2)CCN1C(=O)C1CCOCC1 c1cnc(nc1)[*:1] O=C([O-])[C@@H]1CN(CCN1C(=O)C1CCOCC1)[*:1]
O=C([O-])[C@@H]1CN(c2ncccn2)CCN1C(=O)C1CCOCC1 O=C([O-])[*:1] O=C(C1CCOCC1)N1CCN(C[C@H]1[*:1])c1ncccn1
C[NH+](C)CCN(C(=O)CSc1ccccc1)c1nc2c(Cl)cccc2s1 c1ccc(cc1)SC[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2c(Cl)cccc2s1
C[NH+](C)CCN(C(=O)CSc1ccccc1)c1nc2c(Cl)cccc2s1 c1ccc(cc1)S[*:1] C[NH+](C)CCN(C(=O)C[*:1])c1nc2c(Cl)cccc2s1
C[NH+](C)CCN(C(=O)CSc1ccccc1)c1nc2c(Cl)cccc2s1 c1ccc(cc1)[*:1] C[NH+](C)CCN(C(=O)CS[*:1])c1nc2c(Cl)cccc2s1
O=C(Nc1cccc(OCc2cccnc2)c1)c1cccc2nscc12 c1cncc(c1)[*:1] O=C(Nc1cccc(c1)OC[*:1])c1cccc2nscc12
O=C(Nc1cccc(OCc2cccnc2)c1)c1cccc2nscc12 c1cncc(c1)C[*:1] O=C(Nc1cccc(c1)O[*:1])c1cccc2nscc12
O=C(Nc1cccc(OCc2cccnc2)c1)c1cccc2nscc12 c1cncc(c1)CO[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc2nscc12
CN1CC[C@H](NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)C1=O C1CC1[*:1] CN1CC[C@H](NC(=O)c2cc(nc3ccc(F)cc23)[*:1])C1=O
O=C1CC[C@H](C[NH2+]Cc2cncn2C2CC2)N1 C1CC1[*:1] O=C1CC[C@H](C[NH2+]Cc2cncn2[*:1])N1
O=C([C@H]1Cc2ccccc2O1)N1CCCC[C@@H]1c1nccs1 c1csc(n1)[*:1] O=C([C@H]1Cc2ccccc2O1)N1CCCC[C@H]1[*:1]
CO[C@H](CNC(=O)C[C@H]1CCc2ccccc21)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)C[C@H]1CCc2ccccc21)[*:1]
CCOC1CCN(/C(NCc2cccc(N(C)C)c2)=[NH+]\C)CC1 CN(C)[*:1] CCOC1CCN(CC1)/C(NCc1cccc(c1)[*:1])=[NH+]\C
CCOC1CCN(/C(NCc2cccc(N(C)C)c2)=[NH+]\C)CC1 CCO[*:1] C/[NH+]=C(/NCc1cccc(c1)N(C)C)N1CCC(CC1)[*:1]
COc1ccc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)c1cccnc1[C@@H]1CCCN(C1)C[*:1]
COc1ccc(CN2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)CN1CCC[C@H](C1)c1ncccc1[*:1]
O=C(Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1)c1ccco1 O=C(N[*:1])c1ccco1 O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1)c1ccco1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)NC(=O)[C@@H]1CCCC[C@@H]1[*:1])c1ccco1
O=C(Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1)c1ccco1 c1coc(c1)[*:1] O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)n1nc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O CC(C)[*:1] C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(n1)[*:1]
COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCC[C@@H]3COC)[C@H](O)[C@H]2[C@@H]1C COC[C@H]1CCCN1C(=O)[*:1] COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](O)[C@H]2[C@@H]1C)[C@H](C)[*:1]
COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCC[C@@H]3COC)[C@H](O)[C@H]2[C@@H]1C COC[*:1] COC[C@H]1CCCN1C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)[*:1])[C@@H](C)[C@@H]2[C@H]1O
COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCC[C@@H]3COC)[C@H](O)[C@H]2[C@@H]1C COC[*:1] COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCC[C@H]3[*:1])[C@H](O)[C@H]2[C@@H]1C
COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCC[C@@H]3COC)[C@H](O)[C@H]2[C@@H]1C COCC(=O)N[*:1] COC[C@H]1CCCN1C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@@H]([C@@H](C)[C@@H]2[C@H]1O)[*:1]
COCCc1nc(C)c([C@@H](C)N[C@@H]2CCOc3ccccc32)s1 COCC[*:1] Cc1nc(sc1[C@@H](C)N[C@@H]1CCOc2ccccc21)[*:1]
COCCc1nc(C)c([C@@H](C)N[C@@H]2CCOc3ccccc32)s1 COC[*:1] Cc1nc(C[*:1])sc1[C@@H](C)N[C@@H]1CCOc2ccccc21
C[C@H]1CCC[C@H](C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)C1 CS(=O)(=O)[*:1] C[C@H]1CCC[C@H](C[NH2+]CCOc2ccc(cc2)[*:1])C1
N/C(=N/OCC(=O)N1CCCCCCC1)c1cnccn1 c1cnc(cn1)[*:1] N/C(=N/OCC(=O)N1CCCCCCC1)[*:1]
CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cnc4ccccc4n3)cc21 CC(C)CC[*:1] CC1(C)COc2ccc(cc2N(C1=O)[*:1])NC(=O)c1cnc2ccccc2n1
CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cnc4ccccc4n3)cc21 c1ccc2nc(cnc2c1)[*:1] CC(C)CCN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)[*:1]
CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cnc4ccccc4n3)cc21 CC(C)C[*:1] CC1(C)COc2ccc(cc2N(C[*:1])C1=O)NC(=O)c1cnc2ccccc2n1
CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cnc4ccccc4n3)cc21 CC(C)[*:1] CC1(C)COc2ccc(cc2N(CC[*:1])C1=O)NC(=O)c1cnc2ccccc2n1
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(=O)N=C(N[C@@H]1[*:1])N1CCN(CC1)c1cccc(Cl)c1
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@H]1c1ccc(C)cc1 CCOC(=O)[*:1] Cc1ccc(cc1)[C@@H]1NC(=NC(=O)[C@@H]1[*:1])N1CCN(CC1)c1cccc(Cl)c1
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@H]1c1ccc(C)cc1 Clc1cccc(c1)[*:1] CCOC(=O)[C@H]1C(=O)N=C(N[C@H]1c1ccc(C)cc1)N1CCN(CC1)[*:1]
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2ccccc2C1 FC(F)(F)O[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1COc2ccccc2C1
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2ccccc2C1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)O[*:1])[C@@H]1COc2ccccc2C1
CCOC(=O)c1c(C[NH+](C)Cc2ccccc2F)nc2ccccc2c1C Fc1ccccc1C[*:1] CCOC(=O)c1c(C[NH+](C)[*:1])nc2ccccc2c1C
CCOC(=O)c1c(C[NH+](C)Cc2ccccc2F)nc2ccccc2c1C CCOC(=O)[*:1] Cc1c(c(C[NH+](C)Cc2ccccc2F)nc2ccccc12)[*:1]
CCOC(=O)c1c(C[NH+](C)Cc2ccccc2F)nc2ccccc2c1C Fc1ccccc1[*:1] CCOC(=O)c1c(C[NH+](C)C[*:1])nc2ccccc2c1C
CCCC(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 c1ccc(cc1)N[*:1] CCCC(=O)N1CCC[C@H](C1)c1nc(cc(n1)[*:1])-c1cccnc1
CCCC(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 c1ccc(cc1)[*:1] CCCC(=O)N1CCC[C@H](C1)c1nc(cc(n1)-c1cccnc1)N[*:1]
CCCC(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 c1cncc(c1)[*:1] CCCC(=O)N1CCC[C@H](C1)c1nc(cc(n1)[*:1])Nc1ccccc1
CCCC(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 CCC[*:1] O=C(N1CCC[C@H](C1)c1nc(cc(n1)-c1cccnc1)Nc1ccccc1)[*:1]
CC[C@@H](NC(=O)Nc1cc(COC)ncn1)c1ccc(C)c(F)c1 COC[*:1] CC[C@@H](NC(=O)Nc1cc(ncn1)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)Nc1cc(COC)ncn1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)Nc1cc(COC)ncn1)[*:1]
CCNC(=O)CNC(=O)Nc1cccc(SC)c1 CCNC(=O)C[*:1] CSc1cccc(c1)NC(=O)N[*:1]
CCNC(=O)CNC(=O)Nc1cccc(SC)c1 CCNC(=O)[*:1] CSc1cccc(c1)NC(=O)NC[*:1]
CC(C)[NH+]1CCCN(C(=O)Nc2ccn(CCCC(=O)N(C)C)n2)CC1 CN(C)C(=O)CCC[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)Nc1ccn(n1)[*:1]
CC(C)[NH+]1CCCN(C(=O)Nc2ccn(CCCC(=O)N(C)C)n2)CC1 CN(C)C(=O)[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)Nc1ccn(CCC[*:1])n1
CC(C)[NH+]1CCCN(C(=O)Nc2ccn(CCCC(=O)N(C)C)n2)CC1 CN(C)C(=O)CC[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)Nc1ccn(C[*:1])n1
CC(C)[NH+]1CCCN(C(=O)Nc2ccn(CCCC(=O)N(C)C)n2)CC1 CC(C)[*:1] CN(C)C(=O)CCCn1ccc(n1)NC(=O)N1CCC[NH+](CC1)[*:1]
CC(C)[NH+]1CCCN(C(=O)Nc2ccn(CCCC(=O)N(C)C)n2)CC1 CN(C)C(=O)C[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)Nc1ccn(CC[*:1])n1
COc1ccc(CCC(=O)NNC(=O)c2ccc3ccccc3c2)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])NNC(=O)c1ccc2ccccc2c1
O=C(N[C@H](CO)c1ccco1)[C@H]1CCOc2ccccc21 c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])[C@H]1CCOc2ccccc21
CC1CCN(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)/C(C#N)=C/c1cn(nc1-c1ccc(cc1)[N+](=O)[O-])[*:1]
CC1CCN(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 CC1CCN(CC1)C(=O)[*:1] N#CC(=Cc1cn(nc1-c1ccc(cc1)[N+](=O)[O-])-c1ccccc1)[*:1]
CC1CCN(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)/C(C#N)=C/c1cn(nc1[*:1])-c1ccccc1
CC1CCN(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] CC1CCN(CC1)C(=O)/C(C#N)=C/c1cn(nc1-c1ccc(cc1)[*:1])-c1ccccc1
O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 C(=C[*:1])c1ccccc1 O=C(C1CCN(CC1)C(=O)[*:1])N1CCC[C@H](C1)c1nc(no1)-c1cccc(F)c1
O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 Fc1cccc(c1)-c1noc(n1)[*:1] O=C(/C=C/c1ccccc1)N1CCC(CC1)C(=O)N1CCC[C@@H](C1)[*:1]
O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 c1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCC(CC1)C(=O)N1CCC[C@H](C1)c1nc(no1)-c1cccc(F)c1
O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 Fc1cccc(c1)[*:1] O=C(/C=C/c1ccccc1)N1CCC(CC1)C(=O)N1CCC[C@H](C1)c1nc(no1)[*:1]
Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)N[C@@H](c2n[nH]c(C)n2)[*:1])c(C)c1
Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)c(C)c1 Cc1nc(n[nH]1)[*:1] Cc1ccc(C(=O)N[C@@H](c2ccccc2)[*:1])c(C)c1
Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)[*:1])c1ccccc1
Cc1cc(C(=O)CO/N=C(/N)C2CCCC2)c(C)n1-c1nccs1 C1CCC(C1)[*:1] Cc1cc(C(=O)CO/N=C(/N)[*:1])c(C)n1-c1nccs1
Cc1cc(C(=O)CO/N=C(/N)C2CCCC2)c(C)n1-c1nccs1 c1csc(n1)[*:1] Cc1cc(C(=O)CO/N=C(/N)C2CCCC2)c(C)n1[*:1]
CC(C)(C)OC(=O)[C@@H](C(=O)[O-])[C@@H]([NH3+])Cc1cccc(F)c1 CC(C)(C)[*:1] [NH3+][C@@H](Cc1cccc(F)c1)[C@H](C(=O)[O-])C(=O)O[*:1]
CC(C)(C)OC(=O)[C@@H](C(=O)[O-])[C@@H]([NH3+])Cc1cccc(F)c1 CC(C)(C)OC(=O)[*:1] [NH3+][C@@H](Cc1cccc(F)c1)[C@H](C(=O)[O-])[*:1]
CC(C)(C)OC(=O)[C@@H](C(=O)[O-])[C@@H]([NH3+])Cc1cccc(F)c1 O=C([O-])[*:1] CC(C)(C)OC(=O)[C@@H]([C@@H]([NH3+])Cc1cccc(F)c1)[*:1]
CC(C)(C)OC(=O)[C@@H](C(=O)[O-])[C@@H]([NH3+])Cc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(C)OC(=O)[C@@H](C(=O)[O-])[C@@H]([NH3+])C[*:1]
CN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccc2ccccc2n1 N#Cc1cccc(c1)[*:1] CN(C[*:1])C(=O)/C=C/c1ccc2ccccc2n1
CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)ccc2F)C1 CCC[*:1] Cc1ccc(F)c(c1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
N#Cc1cc(NC(=O)NCCNC(=O)c2cccnc2)ccc1F c1cncc(c1)[*:1] N#Cc1cc(ccc1F)NC(=O)NCCNC(=O)[*:1]
CCCSc1nnc(NC(=O)[C@@H]2CC(=O)c3ccccc3O2)s1 CCCS[*:1] O=C1C[C@H](Oc2ccccc21)C(=O)Nc1nnc(s1)[*:1]
CCCSc1nnc(NC(=O)[C@@H]2CC(=O)c3ccccc3O2)s1 CCC[*:1] O=C1C[C@H](Oc2ccccc21)C(=O)Nc1nnc(S[*:1])s1
CCN(C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CN1CCN(CC1)C(=O)C[NH+](C)C)[*:1]
CC(C)[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)NC(C)(C)C CC(C)(C)[*:1] CC(C)[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N[*:1]
CC(C)[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] CC(C)[C@@H](Sc1nc(N)c(C#N)cc1C#N)[*:1]
CC(C)[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)NC(C)(C)C CC(C)[*:1] CC(C)(C)NC(=O)[C@H](Sc1nc(N)c(C#N)cc1C#N)[*:1]
Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H]3CCCN(C(N)=O)C3)cc2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)C(N)=O)c1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H]3CCCN(C(N)=O)C3)cc2)n1 NC(=O)N1CCC[C@@H](C1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)[C@H](C)NC(=O)[*:1]
CC(C)(Cn1cnccc1=O)C(=O)NN NNC(=O)[*:1] CC(C)(Cn1cnccc1=O)[*:1]
C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccc(C#N)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)Nc1cc(ccc1F)[*:1])c1ccc(C#N)cc1
C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1cc(ccc1F)C(F)(F)F)[*:1]
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cc1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cc1ccc(cc1)[*:1]
C[C@@H]1CC[C@H](C(N)=O)CN1c1nnc(-c2ccccc2)s1 NC(=O)[*:1] C[C@@H]1CC[C@H](CN1c1nnc(s1)-c1ccccc1)[*:1]
C[C@@H]1CC[C@H](C(N)=O)CN1c1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] C[C@@H]1CC[C@@H](CN1c1nnc(s1)[*:1])C(N)=O
CSc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C[*:1]
CSc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
CSc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 CSc1ccc(cc1)[*:1] O=S(=O)(N1CCC(CC1)Cc1ccccc1)[*:1]
COc1coc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1=O COc1coc(cc1=O)[*:1] O=C(N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)[*:1]
COc1coc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1=O Fc1ccc(cc1)[*:1] COc1coc(cc1=O)C(=O)N1CCN(CC1)C(c1ccc(F)cc1)[*:1]
O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2)c1ccccc1Br Brc1ccccc1[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)c1c(NC(=O)[*:1])sc2CCCCc21
CC[C@@H](C)NC(=O)CS[C@@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(OC)c1 COc1cccc(c1)[*:1] CC[C@@H](C)NC(=O)CS[C@@H]1N=C2N=NC(C)=C2C(=N)N1[*:1]
CC[C@@H](C)NC(=O)CS[C@@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(OC)c1 CC[C@@H](C)NC(=O)CS[*:1] COc1cccc(c1)N1C(=N)C2C(N=NC=2C)=N[C@H]1[*:1]
CC[C@@H](C)NC(=O)CS[C@@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(OC)c1 CC[C@@H](C)NC(=O)[*:1] COc1cccc(c1)N1C(=N)C2C(N=NC=2C)=N[C@H]1SC[*:1]
CC[C@@H](C)NC(=O)CS[C@@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(OC)c1 CC[C@@H](C)[*:1] COc1cccc(c1)N1C(=N)C2C(N=NC=2C)=N[C@H]1SCC(=O)N[*:1]
CC[C@@H](C)NC(=O)CS[C@@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(OC)c1 CC[C@@H](C)NC(=O)C[*:1] COc1cccc(c1)N1C(=N)C2C(N=NC=2C)=N[C@H]1S[*:1]
C=CCCCC(=O)Oc1ccccc1F C=CCCC[*:1] O=C(Oc1ccccc1F)[*:1]
C=CCCCC(=O)Oc1ccccc1F C=CCC[*:1] O=C(C[*:1])Oc1ccccc1F
C=CCCCC(=O)Oc1ccccc1F C=CC[*:1] O=C(CC[*:1])Oc1ccccc1F
O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccccc1Cl C1CCN(C1)[*:1] O=C(Nc1cccc(Cl)c1[*:1])c1ccccc1Cl
O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1cccc(Cl)c1N1CCCC1)[*:1]
COC(=O)c1cccc(COC(=O)c2cccc([N+](=O)[O-])c2)c1 COC(=O)[*:1] O=C(OCc1cccc(c1)[*:1])c1cccc(c1)[N+](=O)[O-]
COC(=O)c1cccc(COC(=O)c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] COC(=O)c1cccc(c1)COC(=O)c1cccc(c1)[*:1]
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccn1 Cc1cc(ccn1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccn1 O=S(=O)(N1CCCC1)[*:1] Cc1cc(ccn1)NC(=O)c1cccc(c1)[*:1]
C[NH2+][C@H](C)c1cc(F)c(C)cc1SCc1cccc(C)c1 Cc1cccc(c1)[*:1] C[NH2+][C@H](C)c1cc(F)c(C)cc1SC[*:1]
CCOC(=O)CCC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-] CCOC(=O)[*:1] CO[C@H]1C[C@H](C(=O)[O-])N(C1)C(=O)CC[*:1]
CCOC(=O)CCC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-] CCOC(=O)C[*:1] CO[C@H]1C[C@H](C(=O)[O-])N(C1)C(=O)C[*:1]
CCOC(=O)CCC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] CCOC(=O)CCC(=O)N1C[C@H](C[C@H]1[*:1])OC
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3nc(C)c(C)s3)nn1-c1ccccc1)C2 Cc1nc(NC(=O)[*:1])sc1C COc1cc2Cc3c(nn(-c4ccccc4)c3-c2cc1OC)[*:1]
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3nc(C)c(C)s3)nn1-c1ccccc1)C2 Cc1nc(sc1C)[*:1] COc1cc2Cc3c(nn(-c4ccccc4)c3-c2cc1OC)C(=O)N[*:1]
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3nc(C)c(C)s3)nn1-c1ccccc1)C2 c1ccc(cc1)[*:1] COc1cc2Cc3c(nn(c3-c2cc1OC)[*:1])C(=O)Nc1nc(C)c(C)s1
O=C(Cc1c(F)cccc1F)Nc1ccc(OC[C@@H]2CCCO2)cc1 Fc1cccc(F)c1[*:1] O=C(C[*:1])Nc1ccc(cc1)OC[C@@H]1CCCO1
O=C(Cc1c(F)cccc1F)Nc1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)CO[*:1] O=C(Cc1c(F)cccc1F)Nc1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)COC(=O)c2cccc(F)c2)cc1C Fc1cccc(c1)[*:1] Cc1ccc(cc1C)CNC(=O)COC(=O)[*:1]
C[C@H](Oc1cccc(C=O)c1)C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 O=Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1
C[C@H](Oc1cccc(C=O)c1)C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](Oc1cccc(C=O)c1)C(=O)N[C@H]1C[C@H]1[*:1]
CCOC(=O)c1nc2c(=O)oc3ccccc3c2n(C)c1=O CCOC(=O)[*:1] Cn1c(=O)c(nc2c(=O)oc3ccccc3c21)[*:1]
CCOc1cc(C(=O)NNc2cc(C#N)cc(Cl)n2)ccn1 CCO[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccnc(c1)[*:1]
O=C(c1ccc(F)cc1)N1CC[NH+](CCCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(F)cc1)N1CC[NH+](CCC[*:1])CC1
O=C(c1ccc(F)cc1)N1CC[NH+](CCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(F)cc1)N1CC[NH+](CC1)CC[*:1]
O=C(c1ccc(F)cc1)N1CC[NH+](CCCc2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(N1CC[NH+](CCCc2ccccc2)CC1)[*:1]
O=C(c1ccc(F)cc1)N1CC[NH+](CCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(c1ccc(F)cc1)N1CC[NH+](CC1)C[*:1]
COc1ccc(-c2csc3ncnc(NC[C@@H](O)c4ccccc4)c23)cc1 O[C@H](C[*:1])c1ccccc1 COc1ccc(cc1)-c1csc2ncnc(N[*:1])c12
COc1ccc(-c2csc3ncnc(NC[C@@H](O)c4ccccc4)c23)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1csc2ncnc(NC[C@@H](O)[*:1])c12
COc1ccc(-c2csc3ncnc(NC[C@@H](O)c4ccccc4)c23)cc1 O[C@@H](c1ccccc1)[*:1] COc1ccc(cc1)-c1csc2ncnc(NC[*:1])c12
COc1ccc(-c2csc3ncnc(NC[C@@H](O)c4ccccc4)c23)cc1 COc1ccc(cc1)[*:1] O[C@H](CNc1ncnc2scc(c12)[*:1])c1ccccc1
O=C([O-])c1ccc(CNc2nc3ccccc3o2)o1 O=C([O-])[*:1] c1ccc2oc(nc2c1)NCc1ccc(o1)[*:1]
O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1 O=C(NCC(F)(F)F)[*:1] O=S(=O)(Nc1ccc2[nH]ccc2c1)c1cccc(c1)[*:1]
O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1 FC(F)(F)[*:1] O=C(NC[*:1])c1cccc(c1)S(=O)(=O)Nc1ccc2[nH]ccc2c1
O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1 FC(F)(F)C[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)Nc1ccc2[nH]ccc2c1
O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1 c1cc2cc(ccc2[nH]1)[*:1] O=C(NCC(F)(F)F)c1cccc(c1)S(=O)(=O)N[*:1]
O=C([O-])CC1CC[NH+](CCC(=O)NC2CC2)CC1 O=C([O-])[*:1] O=C(CC[NH+]1CCC(CC1)C[*:1])NC1CC1
O=C([O-])CC1CC[NH+](CCC(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] O=C([O-])CC1CC[NH+](CC1)CC[*:1]
O=C([O-])CC1CC[NH+](CCC(=O)NC2CC2)CC1 C1CC1[*:1] O=C([O-])CC1CC[NH+](CCC(=O)N[*:1])CC1
O=C([O-])CC1CC[NH+](CCC(=O)NC2CC2)CC1 O=C([O-])C[*:1] O=C(CC[NH+]1CCC(CC1)[*:1])NC1CC1
CC(C)CC[C@H]([NH3+])Cc1cc(F)cc(Br)c1 CC(C)C[*:1] [NH3+][C@H](Cc1cc(F)cc(Br)c1)C[*:1]
CC(C)CC[C@H]([NH3+])Cc1cc(F)cc(Br)c1 CC(C)[*:1] [NH3+][C@@H](CC[*:1])Cc1cc(F)cc(Br)c1
CC(C)CC[C@H]([NH3+])Cc1cc(F)cc(Br)c1 CC(C)CC[*:1] [NH3+][C@H](Cc1cc(F)cc(Br)c1)[*:1]
O=C(NCCNC(=O)c1ccccc1O)Nc1cc(-c2ccccc2)on1 Oc1ccccc1[*:1] O=C(NCCNC(=O)[*:1])Nc1cc(on1)-c1ccccc1
O=C(NCCNC(=O)c1ccccc1O)Nc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(NCCNC(=O)c1ccccc1O)Nc1cc(on1)[*:1]
COC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 COC[*:1] C[C@@H](NC(=O)c1cc(on1)-c1ccc(Cl)cc1)[*:1]
COC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 COC[C@@H](C)[*:1] O=C(N[*:1])c1cc(on1)-c1ccc(Cl)cc1
Cc1ccc(NC(=O)C[NH+]2CC(c3nc(-c4cccs4)no3)C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(C[NH+]1CC(C1)c1nc(no1)-c1cccs1)N[*:1]
Cc1ccc(NC(=O)C[NH+]2CC(c3nc(-c4cccs4)no3)C2)c(C)c1 c1csc(c1)[*:1] Cc1ccc(NC(=O)C[NH+]2CC(C2)c2nc(no2)[*:1])c(C)c1
Cc1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1CCC(=O)N2C C1CCC(C1)[*:1] Cc1nc(nc2c1CCC(=O)N2C)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc([C@H]2CCCCN2C(=O)CNC(=O)c2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1CCCCN1C(=O)CNC(=O)[*:1]
Cc1ccc([C@H]2CCCCN2C(=O)CNC(=O)c2ccc(C#N)cc2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(cc1)C(=O)NCC(=O)N1CCCC[C@@H]1[*:1]
NS(=O)(=O)c1ccc(NC(=O)CCC(=O)N2CCOCC2)cc1 NS(=O)(=O)[*:1] O=C(CCC(=O)N1CCOCC1)Nc1ccc(cc1)[*:1]
Cc1nc(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH2+]2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(N1CCC[C@@H]1[C@H]1CCC[NH2+]1)[*:1]
CCOc1ccc(-c2nc(CS(=O)(=O)[C@@H](C)C(C)C)cs2)cc1 CCO[*:1] CC(C)[C@H](C)S(=O)(=O)Cc1csc(n1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(CS(=O)(=O)[C@@H](C)C(C)C)cs2)cc1 CC(C)[*:1] CCOc1ccc(cc1)-c1nc(cs1)CS(=O)(=O)[C@@H](C)[*:1]
COc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(-c2ccc(Cl)c(c2)[*:1])c(c1)C(=O)[O-]
COc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(-c2ccc(Cl)c(c2)C(=O)[O-])c(c1)[*:1]
COc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1 Oc1cccc(c1)[*:1] COc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1
O=C(CCc1ccccc1)/N=C1\N=N[C@@H](SCC(=O)N2c3ccccc3[C@@H]3CCCC[C@@H]32)S1 c1ccc(cc1)[*:1] O=C(CC[*:1])/N=C1\N=N[C@@H](SCC(=O)N2c3ccccc3[C@@H]3CCCC[C@@H]32)S1
O=C(CCc1ccccc1)/N=C1\N=N[C@@H](SCC(=O)N2c3ccccc3[C@@H]3CCCC[C@@H]32)S1 c1ccc(cc1)C[*:1] O=C(C[*:1])/N=C1\N=N[C@@H](SCC(=O)N2c3ccccc3[C@@H]3CCCC[C@@H]32)S1
O=C(CCc1ccccc1)/N=C1\N=N[C@@H](SCC(=O)N2c3ccccc3[C@@H]3CCCC[C@@H]32)S1 c1ccc(cc1)CC[*:1] O=C(CS[C@@H]1N=N/C(=N\C(=O)[*:1])S1)N1c2ccccc2[C@@H]2CCCC[C@@H]21
Cc1c(NCC(=O)NC(=O)NC2CCCC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NCC(=O)NC(=O)NC1CCCC1
Cc1c(NCC(=O)NC(=O)NC2CCCC2)cccc1[N+](=O)[O-] C1CCC(C1)[*:1] Cc1c(cccc1[N+](=O)[O-])NCC(=O)NC(=O)N[*:1]
CC(C)C[C@@H](CCO)CNC(=O)N1CC2(CCCC2)c2ccccc21 CC(C)[*:1] O=C(NC[C@H](CCO)C[*:1])N1CC2(CCCC2)c2ccccc21
CC(C)C[C@@H](CCO)CNC(=O)N1CC2(CCCC2)c2ccccc21 OCC[*:1] CC(C)C[C@@H](CNC(=O)N1CC2(CCCC2)c2ccccc21)[*:1]
CC(C)C[C@@H](CCO)CNC(=O)N1CC2(CCCC2)c2ccccc21 CC(C)C[*:1] O=C(NC[C@H](CCO)[*:1])N1CC2(CCCC2)c2ccccc21
CC(=O)CSc1ncc2cnccn12 CC(=O)[*:1] c1cn2c(ncc2cn1)SC[*:1]
CC(=O)CSc1ncc2cnccn12 CC(=O)C[*:1] c1cn2c(ncc2cn1)S[*:1]
C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)[*:1]
C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](C[NH2+]Cc1cn(C)nc1[*:1])Oc1ccccc1
C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)O[*:1]
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nc2ccccc2[nH]1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=O)CSc1nc2ccccc2[nH]1
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nc2ccccc2[nH]1 Clc1ccc(cc1)O[*:1] O=C(CSc1nc2ccccc2[nH]1)NNC(=O)C[*:1]
O=C(CSc1ccc(F)cc1)N1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(CSc1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
O=C(CSc1ccc(F)cc1)N1CCN(C(=O)C2CC2)CC1 Fc1ccc(cc1)[*:1] O=C(CS[*:1])N1CCN(CC1)C(=O)C1CC1
CC(C)C[C@](C)(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O FC(F)(F)[*:1] CC(C)C[C@](C)(NC(=O)c1ccc(cc1[N+](=O)[O-])[*:1])C(N)=O
CC(C)C[C@](C)(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O O=[N+]([O-])[*:1] CC(C)C[C@](C)(NC(=O)c1ccc(cc1[*:1])C(F)(F)F)C(N)=O
CC(C)C[C@](C)(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O CC(C)C[*:1] C[C@](NC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)(C(N)=O)[*:1]
CC(C)C[C@](C)(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O CC(C)[*:1] C[C@@](C[*:1])(NC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C(N)=O
CC(C)C[C@](C)(NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O NC(=O)[*:1] CC(C)C[C@](C)(NC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
CCC(C)(C)[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccncc2)C1 CCC(C)(C)[*:1] [NH3+]C[C@@H]1CC[C@H](C[C@H]1Sc1ccncc1)[*:1]
CCC(C)(C)[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccncc2)C1 c1cc(ccn1)[*:1] CCC(C)(C)[C@@H]1CC[C@@H](C[NH3+])[C@@H](C1)S[*:1]
C[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)c1ccncc1 O=C([O-])C[*:1] C[C@@H](NC(=O)N(CC(F)(F)F)[*:1])c1ccncc1
C[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)c1ccncc1 FC(F)(F)C[*:1] C[C@@H](NC(=O)N(CC(=O)[O-])[*:1])c1ccncc1
C[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)[*:1]
C[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)c1ccncc1 O=C([O-])[*:1] C[C@@H](NC(=O)N(CC(F)(F)F)C[*:1])c1ccncc1
C[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)c1ccncc1 FC(F)(F)[*:1] C[C@@H](NC(=O)N(CC(=O)[O-])C[*:1])c1ccncc1
CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cnc3ccsc3c2=O)cc1 CCO[*:1] O=C(Cn1cnc2ccsc2c1=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)[*:1]
CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cnc3ccsc3c2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(Cn1cnc2ccsc2c1=O)Nc1cc(Cl)ccc1O[*:1]
CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cnc3ccsc3c2=O)cc1 CCOc1ccc(cc1)O[*:1] O=C(Cn1cnc2ccsc2c1=O)Nc1cc(Cl)ccc1[*:1]
CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cnc3ccsc3c2=O)cc1 O=c1c2sccc2ncn1[*:1] CCOc1ccc(cc1)Oc1ccc(Cl)cc1NC(=O)C[*:1]
CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)ncn3-c2ccc(C)cc2C)CC1 Cc1ccc(c(C)c1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)ncn2[*:1]
CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)ncn3-c2ccc(C)cc2C)CC1 CCOC(=O)[*:1] Cc1ccc(c(C)c1)-n1cnc2cc(ccc21)C(=O)N1CCC(CC1)[*:1]
Cc1cc(C)n2nc(S[C@H](C(=O)N3CCCC[C@H]3C)C(C)C)nc2n1 CC(C)[*:1] Cc1cc(C)n2nc(nc2n1)S[C@H](C(=O)N1CCCC[C@H]1C)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)c1cccn1C Cn1cccc1[*:1] COc1ccc(cc1NC(=O)[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)c1cccn1C CC(=O)N[*:1] COc1ccc(cc1NC(=O)c1cccn1C)[*:1]
CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)ncn2CC(N)=O)cc1 NC(=O)[*:1] CS(=O)(=O)c1ccc(cc1)-c1c(ncn1C[*:1])-c1ccccc1
CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)ncn2CC(N)=O)cc1 CS(=O)(=O)[*:1] NC(=O)Cn1cnc(-c2ccccc2)c1-c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)ncn2CC(N)=O)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)-c1c(ncn1CC(N)=O)[*:1]
CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)ncn2CC(N)=O)cc1 NC(=O)C[*:1] CS(=O)(=O)c1ccc(cc1)-c1c(ncn1[*:1])-c1ccccc1
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc2c(c1)OC(F)(F)O2 O=[N+]([O-])c1ccc(o1)[*:1] O=C(COC(=O)[*:1])Nc1ccc2OC(F)(F)Oc2c1
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc2c(c1)OC(F)(F)O2 O=[N+]([O-])[*:1] O=C(COC(=O)c1ccc(o1)[*:1])Nc1ccc2OC(F)(F)Oc2c1
CC(C)C[NH+]1CCN(C(=O)NCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)NC[*:1]
CC(C)C[NH+]1CCN(C(=O)NCc2ccc(F)cc2)CC1 CC(C)[*:1] O=C(NCc1ccc(F)cc1)N1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN(C(=O)NCc2ccc(F)cc2)CC1 CC(C)C[*:1] O=C(NCc1ccc(F)cc1)N1CC[NH+](CC1)[*:1]
Cc1nc(NC(=O)c2cc(F)ccc2F)sc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1nc(NC(=O)c2cc(F)ccc2F)sc1[*:1]
Cc1csc([C@@H]2CCCN(Cc3ccoc3)C2)n1 c1cc(co1)C[*:1] Cc1csc(n1)[C@@H]1CCCN(C1)[*:1]
Cc1csc([C@@H]2CCCN(Cc3ccoc3)C2)n1 c1cc(co1)[*:1] Cc1csc(n1)[C@@H]1CCCN(C1)C[*:1]
Cc1csc([C@@H]2CCCN(Cc3ccoc3)C2)n1 Cc1csc(n1)[*:1] c1cc(co1)CN1CCC[C@H](C1)[*:1]
O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2OC(F)F)CC1)c1cccc(F)c1 FC(F)Oc1ccccc1[*:1] O=C(Nc1ccnn1C1CC[NH+](CC1)C[*:1])c1cccc(F)c1
O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2OC(F)F)CC1)c1cccc(F)c1 FC(F)[*:1] O=C(Nc1ccnn1C1CC[NH+](CC1)Cc1ccccc1O[*:1])c1cccc(F)c1
O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2OC(F)F)CC1)c1cccc(F)c1 O=C(N[*:1])c1cccc(F)c1 FC(F)Oc1ccccc1C[NH+]1CCC(CC1)n1nccc1[*:1]
O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2OC(F)F)CC1)c1cccc(F)c1 FC(F)O[*:1] O=C(Nc1ccnn1C1CC[NH+](CC1)Cc1ccccc1[*:1])c1cccc(F)c1
O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2OC(F)F)CC1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccnn1C1CC[NH+](CC1)Cc1ccccc1OC(F)F)[*:1]
C[C@H]1CN(C(=O)COCC(F)(F)F)[C@H](C)CN1C(=O)OC(C)(C)C FC(F)(F)[*:1] C[C@H]1CN(C(=O)COC[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
C[C@H]1CN(C(=O)COCC(F)(F)F)[C@H](C)CN1C(=O)OC(C)(C)C FC(F)(F)COC[*:1] C[C@H]1CN(C(=O)[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
C[C@H]1CN(C(=O)COCC(F)(F)F)[C@H](C)CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(C(=O)COCC(F)(F)F)[C@H](C)CN1C(=O)O[*:1]
C[C@H]1CN(C(=O)COCC(F)(F)F)[C@H](C)CN1C(=O)OC(C)(C)C FC(F)(F)CO[*:1] C[C@H]1CN(C(=O)C[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
C[C@H]1CN(C(=O)COCC(F)(F)F)[C@H](C)CN1C(=O)OC(C)(C)C FC(F)(F)C[*:1] C[C@H]1CN(C(=O)CO[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
Cc1ccc(Oc2ccccc2)c(NC(=O)[C@@H](C)NC(=O)C2CCC2)c1 C1CC(C1)[*:1] Cc1ccc(Oc2ccccc2)c(c1)NC(=O)[C@@H](C)NC(=O)[*:1]
Cc1ccc(Oc2ccccc2)c(NC(=O)[C@@H](C)NC(=O)C2CCC2)c1 c1ccc(cc1)O[*:1] Cc1ccc(c(c1)NC(=O)[C@@H](C)NC(=O)C1CCC1)[*:1]
Cc1ccc(Oc2ccccc2)c(NC(=O)[C@@H](C)NC(=O)C2CCC2)c1 c1ccc(cc1)[*:1] Cc1ccc(O[*:1])c(c1)NC(=O)[C@@H](C)NC(=O)C1CCC1
Cc1ccc(Oc2ccccc2)c(NC(=O)[C@@H](C)NC(=O)C2CCC2)c1 O=C(N[*:1])C1CCC1 Cc1ccc(Oc2ccccc2)c(c1)NC(=O)[C@@H](C)[*:1]
Cc1nonc1C[C@@]1(C(=O)[O-])CCOc2ccccc21 Cc1nonc1[*:1] O=C([O-])[C@@]1(CCOc2ccccc21)C[*:1]
Cc1nonc1C[C@@]1(C(=O)[O-])CCOc2ccccc21 O=C([O-])[*:1] Cc1nonc1C[C@]1(CCOc2ccccc21)[*:1]
COc1ccc(C(=O)n2nc(-c3ccccc3)nc2NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)CN[*:1] COc1ccc(cc1)C(=O)n1nc(nc1[*:1])-c1ccccc1
COc1ccc(C(=O)n2nc(-c3ccccc3)nc2NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)n1nc(nc1N[*:1])-c1ccccc1
COc1ccc(C(=O)n2nc(-c3ccccc3)nc2NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)n1nc(nc1NC[*:1])-c1ccccc1
COc1ccc(C(=O)n2nc(-c3ccccc3)nc2NCc2ccc(F)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)n1nc(nc1NCc1ccc(F)cc1)[*:1]
COc1ccc(C(=O)n2nc(-c3ccccc3)nc2NCc2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C(n1nc(nc1NCc1ccc(F)cc1)-c1ccccc1)[*:1]
Cc1noc(C)c1CC(=O)O[C@@H](C)Cn1cccn1 c1cnn(c1)[*:1] Cc1noc(C)c1CC(=O)O[C@@H](C)C[*:1]
Cc1noc(C)c1CC(=O)O[C@@H](C)Cn1cccn1 c1cnn(c1)C[*:1] Cc1noc(C)c1CC(=O)O[C@@H](C)[*:1]
CSCc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CSCc1ccc(cc1)NC(=O)c1cc(F)c(F)cc1[*:1]
CSCc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 CSC[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(F)c(F)cc1[N+](=O)[O-]
Cc1nc(/C=C/C(=O)N2CCN(c3nccs3)CC2)cs1 c1csc(n1)[*:1] Cc1nc(/C=C/C(=O)N2CCN(CC2)[*:1])cs1
Cc1nc(/C=C/C(=O)N2CCN(c3nccs3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(C=C[*:1])N1CCN(CC1)c1nccs1
COc1cccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c1 COc1cccc(c1)[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)SC[*:1]
C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CCc2nc(N3CCCC3)ncc2C1 c1coc(c1)CC[*:1] C[C@@H](NC(=O)[C@@H]1CCc2nc(ncc2C1)N1CCCC1)[*:1]
C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CCc2nc(N3CCCC3)ncc2C1 c1coc(c1)[*:1] C[C@@H](CC[*:1])NC(=O)[C@@H]1CCc2nc(ncc2C1)N1CCCC1
C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CCc2nc(N3CCCC3)ncc2C1 c1coc(c1)C[*:1] C[C@@H](C[*:1])NC(=O)[C@@H]1CCc2nc(ncc2C1)N1CCCC1
C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CCc2nc(N3CCCC3)ncc2C1 C1CCN(C1)[*:1] C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CCc2nc(ncc2C1)[*:1]
C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CCc2nc(N3CCCC3)ncc2C1 C[C@@H](CCc1ccco1)[*:1] O=C(N[*:1])[C@@H]1CCc2nc(ncc2C1)N1CCCC1
CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1ccn(C)c1 Cn1ccc(c1)[*:1] CCS(=O)(=O)C[C@@H](C)NC(=O)NC[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1ccn(C)c1 CCS(=O)(=O)C[*:1] C[C@@H](NC(=O)NCc1ccn(C)c1)[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1ccn(C)c1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)NCc1ccn(C)c1
CC(C)c1nc([C@@H](C)NC(=O)[C@H]2Cc3cc(F)ccc3O2)cs1 CC(C)[*:1] C[C@@H](NC(=O)[C@H]1Cc2cc(F)ccc2O1)c1csc(n1)[*:1]
CCOc1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2)c1 CCO[*:1] C[C@H](NC(=O)N[C@@H](C)c1cccc(c1)[*:1])c1ccccc1
CCOc1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)[C@H](C)NC(=O)N[C@@H](C)[*:1]
O=C1[C@H]([C@@H]2NCCC3=c4ccccc4=[NH+][C@H]32)C(O)=N[C@H](O)N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1[C@@H](C(O)=N[C@H](O)N1[*:1])[C@@H]1NCCC2=c3ccccc3=[NH+][C@H]21
CC(C)c1ccc(S[C@H](C)[C@@H](C)C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)S[C@H](C)[C@@H](C)[*:1]
CC(C)c1ccc(S[C@H](C)[C@@H](C)C(=O)[O-])cc1 CC(C)[*:1] C[C@@H](C(=O)[O-])[C@@H](C)Sc1ccc(cc1)[*:1]
Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)N[C@@H]1CC(=O)N(C1=O)[*:1]
Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](N[*:1])C(=O)N1c1ccc(Cl)cc1
Cc1cc(C)cc(OCC(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)c1 Cc1cc(C)cc(c1)O[*:1] Cc1cc2nc(cc(=O)n2o1)CSc1ccc(cc1)NC(=O)C[*:1]
Cc1cc(C)cc(OCC(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)c1 Cc1cc(C)cc(c1)OC[*:1] Cc1cc2nc(cc(=O)n2o1)CSc1ccc(cc1)NC(=O)[*:1]
Cc1cc(C)cc(OCC(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc2nc(cc(=O)n2o1)CSc1ccc(cc1)NC(=O)CO[*:1]
Oc1cccc(CN2CC[NH2+][C@@H](C3CC3)C2)c1 C1CC1[*:1] Oc1cccc(c1)CN1CC[NH2+][C@@H](C1)[*:1]
Cc1nc2sccn2c1C[NH2+]C1(CCO)CCOCC1 OCC[*:1] Cc1nc2sccn2c1C[NH2+]C1(CCOCC1)[*:1]
CNC(=O)[C@@H](CC(C)C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 CNC(=O)[*:1] CC(C)C[C@@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)[*:1]
CNC(=O)[C@@H](CC(C)C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 CC(C)C[*:1] CNC(=O)[C@@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)[*:1]
CNC(=O)[C@@H](CC(C)C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 CC(C)[*:1] CNC(=O)[C@@H](C[*:1])N[C@H](C)C[C@@H]1CCCCC[NH2+]1
C[C@H](C#N)C[NH2+][C@@H](C)c1ccoc1 C[C@H](C#N)[*:1] C[C@H]([NH2+]C[*:1])c1ccoc1
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1sc2ccccc2c1Cl CS(=O)(=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)c1sc2ccccc2c1Cl
CCCOCC(=O)N1CCCc2cc(Cl)cc(F)c21 CCCOC[*:1] O=C(N1CCCc2cc(Cl)cc(F)c21)[*:1]
CCCOCC(=O)N1CCCc2cc(Cl)cc(F)c21 CCC[*:1] O=C(CO[*:1])N1CCCc2cc(Cl)cc(F)c21
CCCOCC(=O)N1CCCc2cc(Cl)cc(F)c21 CCCO[*:1] O=C(C[*:1])N1CCCc2cc(Cl)cc(F)c21
Cc1cc(NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)no1 Cc1cc(no1)[*:1] O=C(N[C@H]1CCN(C1)c1c(F)cccc1F)N[*:1]
Cn1c(CSc2n[nH]c(=O)n2C2CC2)nc2cc(Cl)ccc21 C1CC1[*:1] Cn1c(CSc2n[nH]c(=O)n2[*:1])nc2cc(Cl)ccc21
COC(=O)c1ccc(CNc2ccccc2C(C)C)nc1 CC(C)[*:1] COC(=O)c1ccc(CNc2ccccc2[*:1])nc1
COC(=O)c1ccc(CNc2ccccc2C(C)C)nc1 COC(=O)[*:1] CC(C)c1ccccc1NCc1ccc(cn1)[*:1]
C[C@@H](NC(=S)NNC(=O)Cc1c(F)cccc1Cl)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(Cc1c(F)cccc1Cl)NNC(=S)N[*:1]
C[C@@H](NC(=S)NNC(=O)Cc1c(F)cccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=S)NNC(=O)Cc1c(F)cccc1Cl)[*:1]
C[C@@H](NC(=S)NNC(=O)Cc1c(F)cccc1Cl)c1ccccc1 Fc1cccc(Cl)c1[*:1] C[C@@H](NC(=S)NNC(=O)C[*:1])c1ccccc1
CCC[NH2+]CC(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] CCC[NH2+]CC(=O)N(C)[C@@H](C)C[*:1]
CCC[NH2+]CC(=O)N(C)[C@@H](C)Cc1cccs1 CCC[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)C[NH2+][*:1]
C[NH2+]C1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] C[NH2+]C1CCN(CC1)c1cccc(c1)[*:1]
CC(C)(CCl)c1nc(-c2ccc(OC(F)(F)F)cc2)no1 FC(F)(F)[*:1] CC(C)(CCl)c1nc(no1)-c1ccc(cc1)O[*:1]
CC(C)(CCl)c1nc(-c2ccc(OC(F)(F)F)cc2)no1 CC(C)(CCl)[*:1] FC(F)(F)Oc1ccc(cc1)-c1noc(n1)[*:1]
CC(C)(CCl)c1nc(-c2ccc(OC(F)(F)F)cc2)no1 FC(F)(F)O[*:1] CC(C)(CCl)c1nc(no1)-c1ccc(cc1)[*:1]
COc1cccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2Cc2cccnc2)c1 c1cncc(c1)C[*:1] COc1cccc(c1)[C@H]1C(C(=O)/C=C/c2ccccc2)=C([O-])C(=O)N1[*:1]
COc1cccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2Cc2cccnc2)c1 c1cncc(c1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)/C=C/c2ccccc2)=C([O-])C(=O)N1C[*:1]
COc1cccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2Cc2cccnc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)C=C[*:1])=C([O-])C(=O)N1Cc1cccnc1
COc1cccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2Cc2cccnc2)c1 O=C(/C=C/c1ccccc1)[*:1] COc1cccc(c1)[C@H]1C(=C([O-])C(=O)N1Cc1cccnc1)[*:1]
COc1cccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2Cc2cccnc2)c1 COc1cccc(c1)[*:1] O=C(/C=C/c1ccccc1)C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1[*:1]
COc1cccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2Cc2cccnc2)c1 C(=C[*:1])c1ccccc1 COc1cccc(c1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1cccnc1
CC(C)NC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C=O)c2)cc1 O=Cc1cccc(c1)[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)[C@H](C)O[*:1]
CC(C)NC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C=O)c2)cc1 CC(C)NC(=O)[*:1] C[C@H](Oc1cccc(C=O)c1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C=O)c2)cc1 CC(C)[*:1] C[C@H](Oc1cccc(C=O)c1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCOc1ccccc1NC(=O)CN1C(=O)[C@@]2(SCC(=O)N2c2ccc(C)cc2)c2ccccc21 Cc1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)CN1C(=O)[C@@]2(SCC(=O)N2[*:1])c2ccccc21
CCOc1ccccc1NC(=O)CN1C(=O)[C@@]2(SCC(=O)N2c2ccc(C)cc2)c2ccccc21 CCOc1ccccc1[*:1] Cc1ccc(cc1)N1C(=O)CS[C@@]12C(=O)N(CC(=O)N[*:1])c1ccccc12
CCOc1ccccc1NC(=O)CN1C(=O)[C@@]2(SCC(=O)N2c2ccc(C)cc2)c2ccccc21 CCO[*:1] Cc1ccc(cc1)N1C(=O)CS[C@@]12C(=O)N(CC(=O)Nc1ccccc1[*:1])c1ccccc12
O=C(CCC1CCCC1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 c1cnc(cn1)[*:1] O=C(CCC1CCCC1)N1CCc2nc(nc(O)c2C1)[*:1]
O=C(CCC1CCCC1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 C1CCC(C1)[*:1] O=C(CC[*:1])N1CCc2nc(nc(O)c2C1)-c1cnccn1
O=C(CCC1CCCC1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 C1CCC(C1)CC[*:1] O=C(N1CCc2nc(nc(O)c2C1)-c1cnccn1)[*:1]
O=C(CCC1CCCC1)N1CCc2nc(-c3cnccn3)nc(O)c2C1 C1CCC(C1)C[*:1] O=C(C[*:1])N1CCc2nc(nc(O)c2C1)-c1cnccn1
Cc1nc2sccn2c1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nc2sccn2c1/C=N/Nc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1nc2sccn2c1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nc2sccn2c1/C=N/Nc1ccc(cc1[*:1])[N+](=O)[O-]
Cc1ccc([C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)N2CCOCC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@H](CNS(=O)(=O)c1cccc(c1C)[*:1])N1CCOCC1
Cc1ccc([C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H](CNS(=O)(=O)c1cccc(c1C)[N+](=O)[O-])[*:1]
Cc1ccc([C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] Cc1c(cccc1S(=O)(=O)NC[C@H](N1CCOCC1)[*:1])[N+](=O)[O-]
COc1c(Br)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1C O=[N+]([O-])[*:1] COc1c(Br)cc(c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1C)[*:1]
COc1c(Br)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1C Cc1cccc(C)c1[*:1] COc1c(Br)cc(c(OC)c1C(=O)NC(=O)N[*:1])[N+](=O)[O-]
Cc1nc(-c2ccc(N3CCN(C(=O)NCc4cccc5ccccc45)CC3)[nH+]c2)no1 c1ccc2c(cccc2c1)[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)NC[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)NCc4cccc5ccccc45)CC3)[nH+]c2)no1 Cc1nc(no1)[*:1] O=C(NCc1cccc2ccccc12)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
C[C@H]1CO[C@@H](CO)CN1Cc1cccc(OCCCC#N)c1 N#CCC[*:1] C[C@H]1CO[C@@H](CO)CN1Cc1cccc(c1)OC[*:1]
C[C@H]1CO[C@@H](CO)CN1Cc1cccc(OCCCC#N)c1 N#CC[*:1] C[C@H]1CO[C@@H](CO)CN1Cc1cccc(c1)OCC[*:1]
C[C@H]1CO[C@@H](CO)CN1Cc1cccc(OCCCC#N)c1 N#CCCC[*:1] C[C@H]1CO[C@@H](CO)CN1Cc1cccc(c1)O[*:1]
C[C@H]1CO[C@@H](CO)CN1Cc1cccc(OCCCC#N)c1 N#CCCCO[*:1] C[C@H]1CO[C@@H](CO)CN1Cc1cccc(c1)[*:1]
CN(C)C(=O)CCc1cccc(NC(=O)CCc2ccccc2)c1 c1ccc(cc1)CC[*:1] CN(C)C(=O)CCc1cccc(c1)NC(=O)[*:1]
CN(C)C(=O)CCc1cccc(NC(=O)CCc2ccccc2)c1 CN(C)C(=O)C[*:1] O=C(CCc1ccccc1)Nc1cccc(c1)C[*:1]
CN(C)C(=O)CCc1cccc(NC(=O)CCc2ccccc2)c1 CN(C)C(=O)CC[*:1] O=C(CCc1ccccc1)Nc1cccc(c1)[*:1]
CN(C)C(=O)CCc1cccc(NC(=O)CCc2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)CCc1cccc(c1)NC(=O)CC[*:1]
CN(C)C(=O)CCc1cccc(NC(=O)CCc2ccccc2)c1 c1ccc(cc1)C[*:1] CN(C)C(=O)CCc1cccc(c1)NC(=O)C[*:1]
CN(C)C(=O)CCc1cccc(NC(=O)CCc2ccccc2)c1 CN(C)C(=O)[*:1] O=C(CCc1ccccc1)Nc1cccc(c1)CC[*:1]
COCc1ccccc1NC(=O)CSCc1cn2cc(C)ccc2n1 COC[*:1] Cc1ccc2nc(cn2c1)CSCC(=O)Nc1ccccc1[*:1]
CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)C=C2CCSCC2)C1 CC(C)(C)[*:1] O=C(C=C1CCSCC1)N1CCC[C@@H](CNC(=O)[*:1])C1
CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)C=C2CCSCC2)C1 CC(C)(C)C(=O)N[*:1] O=C(C=C1CCSCC1)N1CCC[C@H](C1)C[*:1]
C[C@@H](CC(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C)C1)C1CC1 C1CC1[*:1] C[C@@H](CC(=O)N1CCC[C@H](C1)c1n[nH]c(=S)n1C)[*:1]
C[C@@H](CC(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C)C1)C1CC1 C[C@@H](C1CC1)[*:1] Cn1c(n[nH]c1=S)[C@@H]1CCCN(C1)C(=O)C[*:1]
C[C@@H](CC(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C)C1)C1CC1 C[C@@H](C[*:1])C1CC1 Cn1c(n[nH]c1=S)[C@@H]1CCCN(C1)C(=O)[*:1]
C[C@@H](CC(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C)C1)C1CC1 Cn1c(n[nH]c1=S)[*:1] C[C@@H](CC(=O)N1CCC[C@@H](C1)[*:1])C1CC1
N#Cc1cc2c(nc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)CCC2 Clc1cccc(c1)[*:1] N#Cc1cc2CCCc2nc1NC(=O)[C@@H]1C[C@H]1[*:1]
C[C@@H](C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N1CCC[C@@H]1c1noc(n1)C1CC1)[*:1]
C[C@@H](C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1)n1cccn1 C[C@@H](n1cccn1)[*:1] O=C(N1CCC[C@@H]1c1noc(n1)C1CC1)[*:1]
C[C@@H](C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1)n1cccn1 C1CC1[*:1] C[C@@H](C(=O)N1CCC[C@@H]1c1noc(n1)[*:1])n1cccn1
COC(=O)[C@H](C)SCC(=O)N(C)Cc1ccc(C)o1 COC(=O)[C@H](C)[*:1] Cc1ccc(CN(C)C(=O)CS[*:1])o1
COC(=O)[C@H](C)SCC(=O)N(C)Cc1ccc(C)o1 COC(=O)[*:1] Cc1ccc(CN(C)C(=O)CS[C@@H](C)[*:1])o1
COC(=O)[C@H](C)SCC(=O)N(C)Cc1ccc(C)o1 Cc1ccc(o1)[*:1] COC(=O)[C@H](C)SCC(=O)N(C)C[*:1]
Cc1nc2c(N3CCSCC3)nc(N)nc2n1C C1CN(CCS1)[*:1] Cc1nc2c(nc(N)nc2n1C)[*:1]
COc1cccc2cc(C(=O)OCc3cc(-c4ccc(F)cc4)on3)c(=O)oc12 Fc1ccc(cc1)[*:1] COc1cccc2cc(C(=O)OCc3cc(on3)[*:1])c(=O)oc12
COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccnc2)C1 c1cncc(c1)[*:1] COc1ccc(Cl)cc1N1CC[C@H](C1)NC(=O)[*:1]
Cc1ccccc1[C@H](C)NC(=O)Cc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] Cc1ccccc1[C@H](C)NC(=O)Cc1ccc(cc1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)Cc1ccc(N2CCCC2=O)cc1 Cc1ccccc1[*:1] C[C@H](NC(=O)Cc1ccc(cc1)N1CCCC1=O)[*:1]
CC(C)c1cc(C(=O)N[C@H](C)[C@H]2CCCO2)cs1 C1CO[C@H](C1)[*:1] CC(C)c1cc(cs1)C(=O)N[C@H](C)[*:1]
CC(C)c1cc(C(=O)N[C@H](C)[C@H]2CCCO2)cs1 CC(C)[*:1] C[C@@H](NC(=O)c1csc(c1)[*:1])[C@H]1CCCO1
Cc1cnn(CCC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)c1 FC(F)[*:1] Cc1cnn(c1)CCC(=O)Nc1cccc(c1)S(=O)(=O)[*:1]
Cc1cnn(CCC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)c1 O=S(=O)(C(F)F)[*:1] Cc1cnn(c1)CCC(=O)Nc1cccc(c1)[*:1]
Cc1cnn(CCC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)c1 Cc1cnn(c1)C[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)C(F)F
Cc1cnn(CCC(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)c1 Cc1cnn(c1)[*:1] O=C(CC[*:1])Nc1cccc(c1)S(=O)(=O)C(F)F
C[C@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] C[C@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)N1CCC[C@H]1[*:1]
C/C=C(C)\C([O-])=C(/C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 CC=C(C)[*:1] N#C/C(C(=O)Nc1cc(Cl)cc(Cl)c1)=C(/[O-])[*:1]
C[NH+](C)CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2cc3c(cc2s1)OCCO3 Clc1ccc(O[*:1])c(Cl)c1 C[NH+](C)CCN(C(=O)C[*:1])c1nc2cc3OCCOc3cc2s1
C[NH+](C)CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2cc3c(cc2s1)OCCO3 Clc1ccc(c(Cl)c1)[*:1] C[NH+](C)CCN(C(=O)CO[*:1])c1nc2cc3OCCOc3cc2s1
C[NH+](C)CCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2cc3c(cc2s1)OCCO3 Clc1ccc(OC[*:1])c(Cl)c1 C[NH+](C)CCN(C(=O)[*:1])c1nc2cc3OCCOc3cc2s1
Cn1c2c(c(=O)n(C)c1=O)CC[C@H](c1ccccc1)O2 c1ccc(cc1)[*:1] Cn1c2O[C@@H](CCc2c(=O)n(C)c1=O)[*:1]
CC[C@@H](CO)NC(=S)Nc1cccc(C)c1 CC[C@@H](CO)[*:1] Cc1cccc(c1)NC(=S)N[*:1]
O=C(N[C@@H]1C=C[C@H](C(=O)[O-])C1)c1cn2ccccc2n1 O=C([O-])[*:1] O=C(N[C@@H]1C=C[C@H](C1)[*:1])c1cn2ccccc2n1
CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])SCc1cc(=O)n2cc(C)ccc2n1
Cc1noc(C)c1CCc1cc(=O)n2nc(C)c(-c3ccc(Cl)cc3)c2[nH]1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1CCc1cc(=O)n2nc(C)c(c2[nH]1)[*:1]
Cc1noc(C)c1CCc1cc(=O)n2nc(C)c(-c3ccc(Cl)cc3)c2[nH]1 Cc1noc(C)c1CC[*:1] Cc1nn2c(=O)cc([nH]c2c1-c1ccc(Cl)cc1)[*:1]
Cc1noc(C)c1CCc1cc(=O)n2nc(C)c(-c3ccc(Cl)cc3)c2[nH]1 Cc1noc(C)c1[*:1] Cc1nn2c(=O)cc(CC[*:1])[nH]c2c1-c1ccc(Cl)cc1
Cc1noc(C)c1CCc1cc(=O)n2nc(C)c(-c3ccc(Cl)cc3)c2[nH]1 Cc1noc(C)c1C[*:1] Cc1nn2c(=O)cc(C[*:1])[nH]c2c1-c1ccc(Cl)cc1
CC[C@H](Oc1c(C)cc(Br)cc1N)C(=O)[O-] O=C([O-])[*:1] CC[C@H](Oc1c(C)cc(Br)cc1N)[*:1]
Cc1nn(C)cc1C[NH+]1CCN(c2c(N)cccc2Cl)CC1 Cc1nn(C)cc1[*:1] Nc1cccc(Cl)c1N1CC[NH+](CC1)C[*:1]
CC1=Nc2c(c(O)nn2C2CCCC2)[C@@H](c2cccnc2)S1 c1cncc(c1)[*:1] CC1=Nc2c(c(O)nn2C2CCCC2)[C@@H](S1)[*:1]
CC1=Nc2c(c(O)nn2C2CCCC2)[C@@H](c2cccnc2)S1 C1CCC(C1)[*:1] CC1=Nc2c(c(O)nn2[*:1])[C@H](S1)c1cccnc1
C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(cc1)[*:1]
O=C(CC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C1c2cc(F)ccc2CN1C[NH+]1CCC(CC1)C[*:1]
O=C(CC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C1c2cc(F)ccc2CN1C[NH+]1CCC(CC1)[*:1]
O=C(NC[C@@H]1CCCO1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)C1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)c1ccccc1F Fc1ccccc1[*:1] COC(=O)[C@H](N[C@@H](C)c1cccc(c1)N1CCCC1)[*:1]
COC(=O)[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)c1ccccc1F C1CCN(C1)[*:1] COC(=O)[C@H](N[C@@H](C)c1cccc(c1)[*:1])c1ccccc1F
COC(=O)[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)c1ccccc1F COC(=O)[*:1] C[C@H](N[C@H](c1ccccc1F)[*:1])c1cccc(c1)N1CCCC1
COc1ccc(Cl)c(NC(=O)N2CCC(N(C)c3ccccc3)CC2)c1 CN(c1ccccc1)[*:1] COc1ccc(Cl)c(c1)NC(=O)N1CCC(CC1)[*:1]
COc1ccc(Cl)c(NC(=O)N2CCC(N(C)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1ccc(Cl)c(c1)NC(=O)N1CCC(CC1)N(C)[*:1]
COc1ccc(CNC(=O)NCC2(c3cccs3)CC2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CNC(=O)NCC1(CC1)[*:1]
CCCN(CC#N)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CCC[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)CN(CC#N)[*:1]
CCCN(CC#N)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 N#CC[*:1] CCCN(C[C@H]1CCCN(C1)C(=O)OC(C)(C)C)[*:1]
CCCN(CC#N)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CCCN(CC#N)C[C@H]1CCCN(C1)C(=O)O[*:1]
CCCN(CC#N)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CCCN(CC#N)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[*:1]
C[C@H](CCO)C[NH2+]C[C@H]1COc2ccccc21 OCC[*:1] C[C@H](C[NH2+]C[C@H]1COc2ccccc21)[*:1]
C[C@H](CCO)C[NH2+]C[C@H]1COc2ccccc21 C[C@H](CCO)[*:1] c1ccc2c(c1)OC[C@@H]2C[NH2+]C[*:1]
CC(=O)Nc1ccc(OCCOc2ccccc2C)cc1 Cc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)OCCO[*:1]
CC(=O)Nc1ccc(OCCOc2ccccc2C)cc1 CC(=O)N[*:1] Cc1ccccc1OCCOc1ccc(cc1)[*:1]
COc1ccccc1C1(c2nnc(-c3ccc(F)cc3)o2)CCOCC1 COc1ccccc1[*:1] Fc1ccc(cc1)-c1nnc(o1)C1(CCOCC1)[*:1]
COc1ccccc1C1(c2nnc(-c3ccc(F)cc3)o2)CCOCC1 Fc1ccc(cc1)[*:1] COc1ccccc1C1(CCOCC1)c1nnc(o1)[*:1]
CC1(C[NH+]2CCN(Cc3cccs3)CC2)COC1 CC1(COC1)C[*:1] c1csc(c1)CN1CC[NH+](CC1)[*:1]
CC1(C[NH+]2CCN(Cc3cccs3)CC2)COC1 c1csc(c1)[*:1] CC1(COC1)C[NH+]1CCN(CC1)C[*:1]
CC1(C[NH+]2CCN(Cc3cccs3)CC2)COC1 c1csc(c1)C[*:1] CC1(COC1)C[NH+]1CCN(CC1)[*:1]
CC1(C[NH+]2CCN(Cc3cccs3)CC2)COC1 CC1(COC1)[*:1] c1csc(c1)CN1CC[NH+](CC1)C[*:1]
O=C(COc1ccccc1-c1ccccc1)NNC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(COc1ccccc1-c1ccccc1)NNC(=O)N[*:1]
O=C(COc1ccccc1-c1ccccc1)NNC(=O)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(COc1ccccc1[*:1])NNC(=O)Nc1cccc(Cl)c1
CC(C)(CNC(=O)N[C@H](CC(F)(F)F)c1ccc(Cl)cc1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N[C@H](CC(F)(F)F)c1ccc(Cl)cc1)[*:1]
CC(C)(CNC(=O)N[C@H](CC(F)(F)F)c1ccc(Cl)cc1)c1ccncc1 FC(F)(F)C[*:1] CC(C)(CNC(=O)N[C@H](c1ccc(Cl)cc1)[*:1])c1ccncc1
CC(C)(CNC(=O)N[C@H](CC(F)(F)F)c1ccc(Cl)cc1)c1ccncc1 Clc1ccc(cc1)[*:1] CC(C)(CNC(=O)N[C@H](CC(F)(F)F)[*:1])c1ccncc1
CC(C)(CNC(=O)N[C@H](CC(F)(F)F)c1ccc(Cl)cc1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NC[*:1])N[C@H](CC(F)(F)F)c1ccc(Cl)cc1
CC(C)(CNC(=O)N[C@H](CC(F)(F)F)c1ccc(Cl)cc1)c1ccncc1 FC(F)(F)[*:1] CC(C)(CNC(=O)N[C@H](C[*:1])c1ccc(Cl)cc1)c1ccncc1
C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1nc2c(s1)CCCC2 Oc1ccc(cc1)[*:1] C[C@H](CC[*:1])[NH2+][C@H](C)c1nc2CCCCc2s1
COc1ccc(C)cc1-n1nnc(C(=O)Nc2cccc(F)c2)c1C Fc1cccc(c1)[*:1] COc1ccc(C)cc1-n1nnc(C(=O)N[*:1])c1C
CCOC(=O)C1=CN=N[C@@H]1S(=O)(=O)N(CC)c1cccc(C)c1 CCOC(=O)[*:1] CCN(c1cccc(C)c1)S(=O)(=O)[C@H]1N=NC=C1[*:1]
CCOC(=O)C1=CN=N[C@@H]1S(=O)(=O)N(CC)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCOC(=O)C1=CN=N[C@@H]1S(=O)(=O)N(CC)[*:1]
Cc1occc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 Cc1occc1[*:1] O=C(NNC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
Cc1occc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1occc1C(=O)NNC(=O)c1cccc(c1)[*:1]
O=C(CCC(=O)c1ccccc1)Nc1ccc2nc(N3CCOCC3)sc2c1 O=C(C[*:1])c1ccccc1 O=C(C[*:1])Nc1ccc2nc(sc2c1)N1CCOCC1
O=C(CCC(=O)c1ccccc1)Nc1ccc2nc(N3CCOCC3)sc2c1 C1CN(CCO1)[*:1] O=C(CCC(=O)c1ccccc1)Nc1ccc2nc(sc2c1)[*:1]
O=C(CCC(=O)c1ccccc1)Nc1ccc2nc(N3CCOCC3)sc2c1 O=C(c1ccccc1)[*:1] O=C(CC[*:1])Nc1ccc2nc(sc2c1)N1CCOCC1
O=C(CCC(=O)c1ccccc1)Nc1ccc2nc(N3CCOCC3)sc2c1 c1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])Nc1ccc2nc(sc2c1)N1CCOCC1
O=S(=O)(/N=C(\[O-])CCOCC(F)(F)F)c1ccccc1Cl Clc1ccccc1[*:1] O=S(=O)(/N=C(\[O-])CCOCC(F)(F)F)[*:1]
O=S(=O)(/N=C(\[O-])CCOCC(F)(F)F)c1ccccc1Cl FC(F)(F)[*:1] O=S(=O)(/N=C(\[O-])CCOC[*:1])c1ccccc1Cl
O=S(=O)(/N=C(\[O-])CCOCC(F)(F)F)c1ccccc1Cl FC(F)(F)COC[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1ccccc1Cl
O=S(=O)(/N=C(\[O-])CCOCC(F)(F)F)c1ccccc1Cl FC(F)(F)C[*:1] O=S(=O)(/N=C(\[O-])CCO[*:1])c1ccccc1Cl
O=S(=O)(/N=C(\[O-])CCOCC(F)(F)F)c1ccccc1Cl FC(F)(F)CO[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])c1ccccc1Cl
O=C(NCc1nc(-c2ccncc2)no1)[C@H]1COc2ccc(F)cc2C1 c1cc(ccn1)[*:1] O=C(NCc1nc(no1)[*:1])[C@H]1COc2ccc(F)cc2C1
COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)n2)cc1OC Cc1ccc(cc1C)[*:1] COc1ccc(cc1OC)-c1noc(Cn2ccn3nc(cc3c2=O)[*:1])n1
COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1C)-c1cc2c(=O)n(ccn2n1)Cc1nc(no1)[*:1]
Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1[C@H]1CCS(=O)(=O)C1 N#Cc1ncn(C[*:1])n1 Cc1cc(C(=O)[*:1])c(C)n1[C@H]1CCS(=O)(=O)C1
Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1[*:1]
Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1[C@H]1CCS(=O)(=O)C1 N#Cc1ncn(n1)[*:1] Cc1cc(C(=O)C[*:1])c(C)n1[C@H]1CCS(=O)(=O)C1
O=C(NCCOc1cccc(Cl)c1)N1CCC([C@@H](O)c2ccccc2)CC1 Clc1cccc(c1)O[*:1] O=C(NCC[*:1])N1CCC(CC1)[C@@H](O)c1ccccc1
O=C(NCCOc1cccc(Cl)c1)N1CCC([C@@H](O)c2ccccc2)CC1 O[C@@H](c1ccccc1)[*:1] O=C(NCCOc1cccc(Cl)c1)N1CCC(CC1)[*:1]
O=C(NCCOc1cccc(Cl)c1)N1CCC([C@@H](O)c2ccccc2)CC1 Clc1cccc(c1)OC[*:1] O=C(NC[*:1])N1CCC(CC1)[C@@H](O)c1ccccc1
O=C(NCCOc1cccc(Cl)c1)N1CCC([C@@H](O)c2ccccc2)CC1 Clc1cccc(c1)[*:1] O=C(NCCO[*:1])N1CCC(CC1)[C@@H](O)c1ccccc1
O=C(NCCOc1cccc(Cl)c1)N1CCC([C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCCOc1cccc(Cl)c1)N1CCC(CC1)[C@@H](O)[*:1]
O=CN[C@@H](CCS[C@@H]1CCO[C@]2(CCOC2)C1)C(=O)[O-] O=CN[*:1] O=C([O-])[C@H](CCS[C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
O=CN[C@@H](CCS[C@@H]1CCO[C@]2(CCOC2)C1)C(=O)[O-] O=C([O-])[*:1] O=CN[C@@H](CCS[C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2[*:1]
O=C(NCc1ccccc1F)NNC(=O)c1cc(Br)c[nH]1 Brc1c[nH]c(c1)[*:1] O=C(NCc1ccccc1F)NNC(=O)[*:1]
O=C(NCc1ccccc1F)NNC(=O)c1cc(Br)c[nH]1 Fc1ccccc1[*:1] O=C(NC[*:1])NNC(=O)c1cc(Br)c[nH]1
C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N1CCC[C@@H]1c1ccc2OCCOc2c1
C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 Clc1cccc(c1)O[*:1] C[C@H](C(=O)N1CCC[C@@H]1c1ccc2OCCOc2c1)[*:1]
CCCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3ccc(C)cc3nc21 CCCC[*:1] COc1cccc(c1)C(=O)Nc1nn(c2nc3cc(C)ccc3cc12)[*:1]
CCCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3ccc(C)cc3nc21 CCC[*:1] COc1cccc(c1)C(=O)Nc1nn(C[*:1])c2nc3cc(C)ccc3cc12
CCCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3ccc(C)cc3nc21 COc1cccc(c1)[*:1] CCCCn1nc(NC(=O)[*:1])c2cc3ccc(C)cc3nc21
CC(C)Cn1ncc(C(=O)N2CCN(C)C[C@@H]2C(C)C)c1C(F)F CC(C)[*:1] CC(C)[C@H]1CN(C)CCN1C(=O)c1cnn(C[*:1])c1C(F)F
CC(C)Cn1ncc(C(=O)N2CCN(C)C[C@@H]2C(C)C)c1C(F)F CC(C)C[*:1] CC(C)[C@H]1CN(C)CCN1C(=O)c1cnn(c1C(F)F)[*:1]
CC(C)Cn1ncc(C(=O)N2CCN(C)C[C@@H]2C(C)C)c1C(F)F CC(C)[*:1] CC(C)Cn1ncc(C(=O)N2CCN(C)C[C@H]2[*:1])c1C(F)F
CC(C)Cn1ncc(C(=O)N2CCN(C)C[C@@H]2C(C)C)c1C(F)F FC(F)[*:1] CC(C)Cn1ncc(C(=O)N2CCN(C)C[C@@H]2C(C)C)c1[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccnc(c1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccnc(c1)O[*:1]
CCN(CC(C)(C)O)C(=O)N1CCC(OCC(=O)[O-])CC1 O=C([O-])[*:1] CCN(CC(C)(C)O)C(=O)N1CCC(CC1)OC[*:1]
CCN(CC(C)(C)O)C(=O)N1CCC(OCC(=O)[O-])CC1 O=C([O-])C[*:1] CCN(CC(C)(C)O)C(=O)N1CCC(CC1)O[*:1]
CCN(CC(C)(C)O)C(=O)N1CCC(OCC(=O)[O-])CC1 O=C([O-])CO[*:1] CCN(CC(C)(C)O)C(=O)N1CCC(CC1)[*:1]
CCN(CC(C)(C)O)C(=O)N1CCC(OCC(=O)[O-])CC1 CC(C)(O)C[*:1] CCN(C(=O)N1CCC(CC1)OCC(=O)[O-])[*:1]
CCN(CC(C)(C)O)C(=O)N1CCC(OCC(=O)[O-])CC1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)N1CCC(CC1)OCC(=O)[O-]
C[C@@H](c1ccc2ccccc2n1)[C@@H](C)OC(=O)CCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@@H](c1ccc2ccccc2n1)[C@@H](C)OC(=O)CC[*:1]
C[C@@H](c1ccc2ccccc2n1)[C@@H](C)OC(=O)CCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 C[C@@H](c1ccc2ccccc2n1)[C@@H](C)OC(=O)C[*:1]
Cc1nc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c2cc[nH]c2n1 Fc1ccc(cc1)[*:1] Cc1nc(c2cc[nH]c2n1)N1CCN(CC1)CC(=O)N[*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C2CC2)C1 O[C@H](C1CC1)[*:1] CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+]C[*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C2CC2)C1 C1CC1[*:1] CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+]C[C@H](O)[*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C2CC2)C1 CC(C)(C)[*:1] O=C(N[C@@H]1CC[C@H](C1)[NH2+]C[C@H](O)C1CC1)O[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)NCCc2ccccn2)c1 c1ccc(CC[*:1])nc1 N#Cc1ccc(OC(F)F)c(c1)NC(=O)N[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)NCCc2ccccn2)c1 c1ccc(C[*:1])nc1 N#Cc1ccc(OC(F)F)c(c1)NC(=O)NC[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)NCCc2ccccn2)c1 FC(F)O[*:1] N#Cc1ccc(c(c1)NC(=O)NCCc1ccccn1)[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)NCCc2ccccn2)c1 c1ccc(nc1)[*:1] N#Cc1ccc(OC(F)F)c(c1)NC(=O)NCC[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)NCCc2ccccn2)c1 FC(F)[*:1] N#Cc1ccc(O[*:1])c(c1)NC(=O)NCCc1ccccn1
Cc1ccc(CN(C)C(=O)CN2CCC[NH+](CC(=O)N(C)C)CC2)o1 Cc1ccc(o1)[*:1] CN(C)C(=O)C[NH+]1CCCN(CC1)CC(=O)N(C)C[*:1]
Cc1ccc(CN(C)C(=O)CN2CCC[NH+](CC(=O)N(C)C)CC2)o1 Cc1ccc(C[*:1])o1 CN(C)C(=O)C[NH+]1CCCN(CC1)CC(=O)N(C)[*:1]
Cc1ccc(CN(C)C(=O)CN2CCC[NH+](CC(=O)N(C)C)CC2)o1 CN(C)C(=O)C[*:1] Cc1ccc(CN(C)C(=O)CN2CCC[NH+](CC2)[*:1])o1
Cc1ccc(CN(C)C(=O)CN2CCC[NH+](CC(=O)N(C)C)CC2)o1 CN(C)C(=O)[*:1] Cc1ccc(CN(C)C(=O)CN2CCC[NH+](CC2)C[*:1])o1
CCn1cc(C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)cn1 CCn1cc(cn1)[*:1] CC(C)(CNC(=O)[*:1])c1cccc(c1)C(F)(F)F
CCn1cc(C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)cn1 FC(F)(F)[*:1] CCn1cc(cn1)C(=O)NCC(C)(C)c1cccc(c1)[*:1]
CCc1ccc2c(C[NH+](C(C)C)C3CCOCC3)cc(=O)oc2c1 CC(C)[*:1] CCc1ccc2c(cc(=O)oc2c1)C[NH+](C1CCOCC1)[*:1]
O=C(NCC(=O)OC1CCCCC1)Nc1cnn(-c2ccccc2)c1 C1CCC(CC1)[*:1] O=C(NCC(=O)O[*:1])Nc1cnn(c1)-c1ccccc1
O=C(NCC(=O)OC1CCCCC1)Nc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NCC(=O)OC1CCCCC1)Nc1cnn(c1)[*:1]
COc1ccc(CNS(=O)(=O)c2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)cc1 COc1ccc(cc1)[*:1] C[C@H]1C(=O)N2CCCc3cc(cc1c32)S(=O)(=O)NC[*:1]
COc1ccc(CNS(=O)(=O)c2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)cc1 COc1ccc(cc1)C[*:1] C[C@H]1C(=O)N2CCCc3cc(cc1c32)S(=O)(=O)N[*:1]
O=S(=O)(c1ccccc1)N1CCC[C@@H](c2nnc(-c3cnccn3)o2)C1 c1cnc(cn1)[*:1] O=S(=O)(c1ccccc1)N1CCC[C@H](C1)c1nnc(o1)[*:1]
O=S(=O)(c1ccccc1)N1CCC[C@@H](c2nnc(-c3cnccn3)o2)C1 c1ccc(cc1)[*:1] O=S(=O)(N1CCC[C@H](C1)c1nnc(o1)-c1cnccn1)[*:1]
COc1cc(CN2C[C@@H](C)C[C@H]([NH3+])C2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])CN1C[C@@H](C)C[C@H]([NH3+])C1
COc1cc(CN2C[C@@H](C)C[C@H]([NH3+])C2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])CN1C[C@@H](C)C[C@H]([NH3+])C1
CCOc1ccc(C2=CCN(C(=O)Nc3nc(C(C)C)nn3C)CC2)cc1 CCO[*:1] CC(C)c1nc(NC(=O)N2CC=C(CC2)c2ccc(cc2)[*:1])n(C)n1
CCOc1ccc(C2=CCN(C(=O)Nc3nc(C(C)C)nn3C)CC2)cc1 CC(C)c1nc(n(C)n1)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)N[*:1]
CCOc1ccc(C2=CCN(C(=O)Nc3nc(C(C)C)nn3C)CC2)cc1 CC(C)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)Nc1nc(nn1C)[*:1]
CCOc1ccc(C2=CCN(C(=O)Nc3nc(C(C)C)nn3C)CC2)cc1 CCOc1ccc(cc1)[*:1] CC(C)c1nc(NC(=O)N2CC=C(CC2)[*:1])n(C)n1
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCCC1)[*:1]
O=C(CCCn1cncn1)N1CCC(c2nc3ccccc3[nH]2)CC1 c1ncn(C[*:1])n1 O=C(CC[*:1])N1CCC(CC1)c1nc2ccccc2[nH]1
O=C(CCCn1cncn1)N1CCC(c2nc3ccccc3[nH]2)CC1 c1ncn(n1)[*:1] O=C(CCC[*:1])N1CCC(CC1)c1nc2ccccc2[nH]1
O=C(CCCn1cncn1)N1CCC(c2nc3ccccc3[nH]2)CC1 c1ncn(CCC[*:1])n1 O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)[*:1]
O=C(CCCn1cncn1)N1CCC(c2nc3ccccc3[nH]2)CC1 c1ncn(CC[*:1])n1 O=C(C[*:1])N1CCC(CC1)c1nc2ccccc2[nH]1
C[C@@H](c1cccnc1)N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 c1cncc(c1)[*:1] C[C@@H](N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1)[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@@H](c1cccnc1)N(C)C(=O)CN(C)C(=O)[*:1]
CCCCC[C@@H]([NH2+]C)c1ccc(F)cc1 CCCCC[*:1] C[NH2+][C@@H](c1ccc(F)cc1)[*:1]
CCCCC[C@@H]([NH2+]C)c1ccc(F)cc1 CCC[*:1] C[NH2+][C@H](CC[*:1])c1ccc(F)cc1
CCCCC[C@@H]([NH2+]C)c1ccc(F)cc1 CCCC[*:1] C[NH2+][C@H](C[*:1])c1ccc(F)cc1
COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)s1 COC(=O)[*:1] O=C(Nc1ccc(Cl)cc1Cl)c1ccc(s1)[*:1]
Cc1cccc(SCC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1 Cc1cccc(c1)[*:1] C[C@@H]1CN(CCCNC(=O)CS[*:1])C[C@@H](C)O1
O=C(CCSc1ccc(Cl)cc1)NC1CC1 C1CC1[*:1] O=C(CCSc1ccc(Cl)cc1)N[*:1]
CCOC[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CN3CC)C1 CCOC[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CN3CC)C1 CCO[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N1CC[C@H](C1)C[*:1]
C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(Br)cc2)C1=O Fc1ccc(F)c(c1)[*:1] C[C@]1(NC(=O)N(Cc2ccc(Br)cc2)C1=O)[*:1]
C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(Br)cc2)C1=O Brc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cc(F)ccc1F
C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(Br)cc2)C1=O Brc1ccc(cc1)C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1cc(F)ccc1F
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(C#N)cs1 N#Cc1csc(c1)[*:1] COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)[*:1]
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C2=O C1CN(CCO1)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cc(ccc1[*:1])C(F)(F)F)C2=O
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C2=O FC(F)(F)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cc(ccc1N1CCOCC1)[*:1])C2=O
COc1cc(OC)c(NC(=O)CCC(=O)c2ccc(Br)cc2)cc1Cl Brc1ccc(cc1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)CCC(=O)[*:1]
COC(=O)c1sccc1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 COC(=O)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccsc1[*:1])N1CCCCC1
COC(=O)c1sccc1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] COC(=O)c1sccc1S(=O)(=O)N1CCC(CC1)[*:1]
CCOC(=O)[C@H](NC(=O)c1c[nH]c2nccc(Cl)c12)[C@H](C)CC CC[C@@H](C)[*:1] CCOC(=O)[C@H](NC(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CCOC(=O)[C@H](NC(=O)c1c[nH]c2nccc(Cl)c12)[C@H](C)CC CCOC(=O)[*:1] CC[C@@H](C)[C@@H](NC(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
Nc1nc(Cn2cccc(C(F)(F)F)c2=O)nc2sc3c(c12)CCCCC3 FC(F)(F)[*:1] Nc1nc(Cn2cccc(c2=O)[*:1])nc2sc3CCCCCc3c12
O=C(CCC(=O)N1CC[NH+](C2CCCC2)CC1)Nc1nccs1 C1CCC(C1)[*:1] O=C(CCC(=O)N1CC[NH+](CC1)[*:1])Nc1nccs1
O=C(CCC(=O)N1CC[NH+](C2CCCC2)CC1)Nc1nccs1 c1csc(n1)[*:1] O=C(CCC(=O)N1CC[NH+](CC1)C1CCCC1)N[*:1]
CC(C)[C@H](C)SCC(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C)SCC(=O)N[C@H](C)[*:1]
CC(C)[C@H](C)SCC(=O)N[C@H](C)c1ccccc1 CC(C)[*:1] C[C@H](SCC(=O)N[C@H](C)c1ccccc1)[*:1]
CC(C)[C@H](C)SCC(=O)N[C@H](C)c1ccccc1 CC(C)[C@H](C)[*:1] C[C@@H](NC(=O)CS[*:1])c1ccccc1
CC(C)[C@H](C)SCC(=O)N[C@H](C)c1ccccc1 CC(C)[C@H](C)S[*:1] C[C@@H](NC(=O)C[*:1])c1ccccc1
COc1ccc(C(=O)N2CCC(n3c(C4CCC4)nc4cccnc43)CC2)c(OC)c1OC C1CC(C1)[*:1] COc1ccc(C(=O)N2CCC(CC2)n2c(nc3cccnc32)[*:1])c(OC)c1OC
NC(=O)[C@@H]1CCCN1C(=O)c1scnc1C1CC1 C1CC1[*:1] NC(=O)[C@@H]1CCCN1C(=O)c1scnc1[*:1]
NC(=O)[C@@H]1CCCN1C(=O)c1scnc1C1CC1 NC(=O)[*:1] O=C(c1scnc1C1CC1)N1CCC[C@H]1[*:1]
CCOC(=O)CCN1CC[S@@](=O)C(C)(C)C1 CCOC(=O)[*:1] CC1(C)CN(CC[S@]1=O)CC[*:1]
CCN(C(=O)COc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] CCN(C(=O)CO[*:1])[C@H]1CCS(=O)(=O)C1
CCN(C(=O)COc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)COc1ccc(F)cc1)[*:1]
Cc1nn(C)cc1-c1cc(C(=O)N2CCC([C@@H]3CC(=O)c4cc(F)ccc4O3)CC2)no1 Cc1nn(C)cc1[*:1] O=C1C[C@H](Oc2ccc(F)cc21)C1CCN(CC1)C(=O)c1cc(on1)[*:1]
C[NH+](CCCNC(=O)C1=Cc2cc(F)ccc2OC1)CC(F)(F)F FC(F)(F)[*:1] C[NH+](CCCNC(=O)C1=Cc2cc(F)ccc2OC1)C[*:1]
C[C@H](SCc1cccc(C(=O)N(C)C)c1)c1cccs1 c1csc(c1)[*:1] C[C@H](SCc1cccc(c1)C(=O)N(C)C)[*:1]
C[C@H](SCc1cccc(C(=O)N(C)C)c1)c1cccs1 CN(C)C(=O)[*:1] C[C@H](SCc1cccc(c1)[*:1])c1cccs1
CC1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1Cl O=[N+]([O-])[*:1] CC1=N/C(=C/c2ccc(cc2)[*:1])C(=O)N1c1ccccc1Cl
CC1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1Cl Clc1ccccc1[*:1] CC1=N/C(=C/c2ccc(cc2)[N+](=O)[O-])C(=O)N1[*:1]
C[C@H](NC(=O)N(C)CCc1ccc(F)cc1)c1cccc(-n2cccn2)c1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)N(C)CC[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)N(C)CCc1ccc(F)cc1)c1cccc(-n2cccn2)c1 Fc1ccc(cc1)C[*:1] C[C@H](NC(=O)N(C)C[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)N(C)CCc1ccc(F)cc1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)N(C)CCc1ccc(F)cc1)c1cccc(c1)[*:1]
C[C@H](NC(=O)N(C)CCc1ccc(F)cc1)c1cccc(-n2cccn2)c1 Fc1ccc(cc1)CC[*:1] C[C@H](NC(=O)N(C)[*:1])c1cccc(c1)-n1cccn1
Cc1nn(C)c(C)c1[C@H](OC(=O)c1cnn(C(C)C)c1C)C(F)(F)F CC(C)[*:1] Cc1nn(C)c(C)c1[C@H](OC(=O)c1cnn(c1C)[*:1])C(F)(F)F
Cc1nn(C)c(C)c1[C@H](OC(=O)c1cnn(C(C)C)c1C)C(F)(F)F Cc1nn(C)c(C)c1[*:1] Cc1c(cnn1C(C)C)C(=O)O[C@H](C(F)(F)F)[*:1]
Cc1nn(C)c(C)c1[C@H](OC(=O)c1cnn(C(C)C)c1C)C(F)(F)F FC(F)(F)[*:1] Cc1nn(C)c(C)c1[C@H](OC(=O)c1cnn(c1C)C(C)C)[*:1]
Fc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3cncn3)CC2)cc1 c1ncn(n1)[*:1] Fc1ccc(cc1)-c1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
Fc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3cncn3)CC2)cc1 Fc1ccc(cc1)[*:1] c1ncn(n1)C1CC[NH+](CC1)Cc1c[nH]nc1[*:1]
CCNC(=O)[C@@H]1CCN(C(=O)c2csc3nc(-c4cccc(OC)c4)cn23)C1 COc1cccc(c1)[*:1] CCNC(=O)[C@@H]1CCN(C1)C(=O)c1csc2nc(cn12)[*:1]
CCNC(=O)[C@@H]1CCN(C(=O)c2csc3nc(-c4cccc(OC)c4)cn23)C1 CCNC(=O)[*:1] COc1cccc(c1)-c1cn2c(csc2n1)C(=O)N1CC[C@H](C1)[*:1]
Cc1c(NC(=O)c2csc(-c3cnccn3)n2)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)c1csc(n1)-c1cnccn1
Cc1c(NC(=O)c2csc(-c3cnccn3)n2)cccc1C(N)=O c1cnc(cn1)[*:1] Cc1c(cccc1C(N)=O)NC(=O)c1csc(n1)[*:1]
CC(C)c1ccc(NC(=O)c2ccc(-c3nccnc3N3CCOCC3)cc2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)-c1nccnc1N1CCOCC1
CC(C)c1ccc(NC(=O)c2ccc(-c3nccnc3N3CCOCC3)cc2)cc1 C1CN(CCO1)[*:1] CC(C)c1ccc(cc1)NC(=O)c1ccc(cc1)-c1nccnc1[*:1]
CC(C)c1ccc(NC(=O)c2ccc(-c3nccnc3N3CCOCC3)cc2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)-c1nccnc1N1CCOCC1
COc1cccc(-n2cnnc2SCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 COc1cccc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1nncn1[*:1]
C[S@](=O)c1cccc(NC(=O)NCCC[NH2+]C2CCCCC2)c1 C1CCC(CC1)[*:1] C[S@](=O)c1cccc(c1)NC(=O)NCCC[NH2+][*:1]
O=C(/C=C/c1cccnc1)NNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccnc1)NNC(=O)c1cccc(c1)[*:1]
O=C(/C=C/c1cccnc1)NNC(=O)c1cccc([N+](=O)[O-])c1 c1cncc(c1)[*:1] O=C(C=C[*:1])NNC(=O)c1cccc(c1)[N+](=O)[O-]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(CC1)[*:1]
Cc1ncc([C@H](C)[NH2+]CCCN2CCN(c3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Cc1ncc(s1)[C@H](C)[NH2+]CCCN1CCN(CC1)[*:1]
CCN(CC#N)CCC(=O)NC1CCCCC1 N#CC[*:1] CCN(CCC(=O)NC1CCCCC1)[*:1]
O=C(COc1cccc(-c2nnco2)c1)NC1CC1 C1CC1[*:1] O=C(COc1cccc(c1)-c1nnco1)N[*:1]
O=C(COc1cccc(-c2nnco2)c1)NC1CC1 O=C(NC1CC1)[*:1] c1cc(cc(c1)-c1nnco1)OC[*:1]
O=C(COc1cccc(-c2nnco2)c1)NC1CC1 c1nnc(o1)[*:1] O=C(COc1cccc(c1)[*:1])NC1CC1
CC(C)[C@H](CCO)NS(=O)(=O)c1cccc(F)c1F CC(C)[*:1] O=S(=O)(N[C@@H](CCO)[*:1])c1cccc(F)c1F
CC(C)[C@H](CCO)NS(=O)(=O)c1cccc(F)c1F OCC[*:1] CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1F)[*:1]
CS(=O)(=O)CCN1CCN(c2nccc3occc23)CC1 CS(=O)(=O)C[*:1] c1cc2occc2c(n1)N1CCN(CC1)C[*:1]
CS(=O)(=O)CCN1CCN(c2nccc3occc23)CC1 CS(=O)(=O)CC[*:1] c1cc2occc2c(n1)N1CCN(CC1)[*:1]
CS(=O)(=O)CCN1CCN(c2nccc3occc23)CC1 CS(=O)(=O)[*:1] c1cc2occc2c(n1)N1CCN(CC1)CC[*:1]
O=C(NCCCN1CCCC1=O)c1sc2ncccc2c1-n1cccc1 O=C1CCCN1C[*:1] O=C(NCC[*:1])c1sc2ncccc2c1-n1cccc1
O=C(NCCCN1CCCC1=O)c1sc2ncccc2c1-n1cccc1 O=C1CCCN1[*:1] O=C(NCCC[*:1])c1sc2ncccc2c1-n1cccc1
O=C(NCCCN1CCCC1=O)c1sc2ncccc2c1-n1cccc1 O=C1CCCN1CC[*:1] O=C(NC[*:1])c1sc2ncccc2c1-n1cccc1
O=C(NCCCN1CCCC1=O)c1sc2ncccc2c1-n1cccc1 c1ccn(c1)[*:1] O=C(NCCCN1CCCC1=O)c1sc2ncccc2c1[*:1]
COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(N)s2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)CSc2nc(c(N)s2)[*:1])c(c1)OC
Cc1ccnn1CC(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)[*:1] Cc1ccnn1CC(=O)N1N=C(C[C@@]1(O)C(F)F)[*:1]
Cc1ccnn1CC(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F Cc1ccnn1C[*:1] O=C(N1N=C(C[C@@]1(O)C(F)F)C(F)F)[*:1]
Cc1ccnn1CC(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F Cc1ccnn1[*:1] O=C(C[*:1])N1N=C(C[C@@]1(O)C(F)F)C(F)F
Cc1ccnn1CC(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)[*:1] Cc1ccnn1CC(=O)N1N=C(C[C@]1(O)[*:1])C(F)F
O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2ccccc2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(c1ccn(n1)[*:1])N1CCN(CC1)c1ccccc1
O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2ccccc2)CC1 O=[N+]([O-])[*:1] O=C(c1ccn(n1)-c1cccc(c1)[*:1])N1CCN(CC1)c1ccccc1
O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccn(n1)-c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
Cc1ccc(C)c(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)-c1cc(c2cc(C)ccc2n1)[*:1]
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@H](O)C(F)(F)F)C1 FC(F)(F)[*:1] CC(C)[C@@H]1CCC(=O)[C@@H](C[C@H](O)[*:1])C1
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@H](O)C(F)(F)F)C1 CC(C)[*:1] O=C1CC[C@H](C[C@@H]1C[C@H](O)C(F)(F)F)[*:1]
C[NH+](CC(=O)Nc1c[nH]cc(Br)c1=O)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1c[nH]cc(Br)c1=O)C[*:1]
C[NH+](CC(=O)Nc1c[nH]cc(Br)c1=O)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](CC(=O)Nc1c[nH]cc(Br)c1=O)[*:1]
C[C@H]1SCCN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)[C@@H]1C Fc1ccc(c(F)c1)[*:1] C[C@H]1SCCN(C(=O)C2(CCOCC2)[*:1])[C@@H]1C
COc1cc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc2c1OCCO2 O=C([O-])[*:1] COc1cc(/C=C/C(=O)c2ccc(cc2)OC[*:1])cc2OCCOc12
COc1cc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc2c1OCCO2 O=C([O-])C[*:1] COc1cc(/C=C/C(=O)c2ccc(cc2)O[*:1])cc2OCCOc12
COc1cc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc2c1OCCO2 O=C([O-])CO[*:1] COc1cc(/C=C/C(=O)c2ccc(cc2)[*:1])cc2OCCOc12
CC(C)n1nccc1NC(=O)c1cc2ccccc2n1Cc1ccccc1F Fc1ccccc1C[*:1] CC(C)n1nccc1NC(=O)c1cc2ccccc2n1[*:1]
CC(C)n1nccc1NC(=O)c1cc2ccccc2n1Cc1ccccc1F CC(C)[*:1] O=C(Nc1ccnn1[*:1])c1cc2ccccc2n1Cc1ccccc1F
CC(C)n1nccc1NC(=O)c1cc2ccccc2n1Cc1ccccc1F Fc1ccccc1[*:1] CC(C)n1nccc1NC(=O)c1cc2ccccc2n1C[*:1]
CC(C)n1nccc1NC(=O)c1cc2ccccc2n1Cc1ccccc1F CC(C)n1nccc1[*:1] O=C(N[*:1])c1cc2ccccc2n1Cc1ccccc1F
CC(C)[C@](C)(C#N)NC(=O)COc1ccc(C=O)cc1 CC(C)[*:1] C[C@](C#N)(NC(=O)COc1ccc(C=O)cc1)[*:1]
C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(CC#N)cc1 N#CC[*:1] C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc2nc(C)c(C(=O)NCc3cn4c(n3)SCC4)cc2c1 c1c(nc2SCCn12)[*:1] Cc1ccc2nc(C)c(cc2c1)C(=O)NC[*:1]
Cc1cc(C(=O)NNC(=O)CCCc2ccccc2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CCCc1ccccc1)NNC(=O)[*:1]
Cc1cc(C(=O)NNC(=O)CCCc2ccccc2)c(C)s1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NNC(=O)CCC[*:1])c(C)s1
Cc1cc(C(=O)NNC(=O)CCCc2ccccc2)c(C)s1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)NNC(=O)CC[*:1])c(C)s1
CCc1cccc(C)c1NC(=O)[C@@H](C)S(=O)(=O)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] CCc1cccc(C)c1NC(=O)[C@@H](C)S(=O)(=O)[*:1]
CCc1cccc(C)c1NC(=O)[C@@H](C)S(=O)(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] CCc1cccc(C)c1NC(=O)[C@@H](C)S(=O)(=O)C[*:1]
Cc1c(N)cccc1NC(=O)[C@@H](C)SC1COC1 C1OCC1S[*:1] Cc1c(N)cccc1NC(=O)[C@@H](C)[*:1]
Cc1c(N)cccc1NC(=O)[C@@H](C)SC1COC1 C1OCC1[*:1] Cc1c(N)cccc1NC(=O)[C@@H](C)S[*:1]
CN1C(=O)Cc2cc(NC(=O)CCCc3ccccc3)ccc21 c1ccc(cc1)[*:1] CN1C(=O)Cc2cc(ccc21)NC(=O)CCC[*:1]
CN1C(=O)Cc2cc(NC(=O)CCCc3ccccc3)ccc21 c1ccc(cc1)C[*:1] CN1C(=O)Cc2cc(ccc21)NC(=O)CC[*:1]
COC[C@H](NC(=O)C(C)(C)c1ccc(Br)cc1)C(N)=O COC[*:1] CC(C)(C(=O)N[C@H](C(N)=O)[*:1])c1ccc(Br)cc1
COC[C@H](NC(=O)C(C)(C)c1ccc(Br)cc1)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)C(C)(C)c1ccc(Br)cc1)[*:1]
CC(C)N1C[C@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)C2=NN(C)C(=O)CC2)CC1=O FC(F)(F)Oc1ccc(cc1)[*:1] CC(C)N1C[C@@H](CN(CC1=O)C(=O)C1CCC(=O)N(C)N=1)OC[*:1]
CC(C)N1C[C@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)C2=NN(C)C(=O)CC2)CC1=O FC(F)(F)O[*:1] CC(C)N1C[C@@H](CN(CC1=O)C(=O)C1CCC(=O)N(C)N=1)OCc1ccc(cc1)[*:1]
CC(C)N1C[C@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)C2=NN(C)C(=O)CC2)CC1=O CC(C)[*:1] CN1N=C(CCC1=O)C(=O)N1CC(=O)N(C[C@@H](C1)OCc1ccc(cc1)OC(F)(F)F)[*:1]
CC(C)N1C[C@H](OCc2ccc(OC(F)(F)F)cc2)CN(C(=O)C2=NN(C)C(=O)CC2)CC1=O FC(F)(F)[*:1] CC(C)N1C[C@@H](CN(CC1=O)C(=O)C1CCC(=O)N(C)N=1)OCc1ccc(cc1)O[*:1]
C=CCS(=O)(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] C=CC[*:1] O=C([O-])[C@H]1c2ccccc2CCN1S(=O)(=O)[*:1]
C=CCS(=O)(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] O=C([O-])[*:1] C=CCS(=O)(=O)N1CCc2ccccc2[C@H]1[*:1]
CC(C)CC(=O)N1CCN(c2cccc[nH+]2)CC1 CC(C)[*:1] O=C(C[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(C)CC(=O)N1CCN(c2cccc[nH+]2)CC1 CC(C)C[*:1] O=C(N1CCN(CC1)c1cccc[nH+]1)[*:1]
Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] Cc1cccc(C)c1NC(=O)CN(C)C(=O)CS[*:1]
Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSc1nc2ccccc2s1 Cc1cccc(C)c1[*:1] CN(CC(=O)N[*:1])C(=O)CSc1nc2ccccc2s1
CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)c1 CS(=O)(=O)[*:1] O=S(=O)([N-]c1cc(ccc1-n1cccn1)C(F)(F)F)c1cc(ccc1Cl)[*:1]
CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)c1 c1cnn(c1)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)S(=O)(=O)[N-]c1cc(ccc1[*:1])C(F)(F)F
CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)c1 FC(F)(F)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)S(=O)(=O)[N-]c1cc(ccc1-n1cccn1)[*:1]
CCN(CC)C(=O)[C@H](C)N1CCc2ccc([N+](=O)[O-])cc2C1 CCN(CC)C(=O)[*:1] C[C@H](N1CCc2ccc(cc2C1)[N+](=O)[O-])[*:1]
CCN(CC)C(=O)[C@H](C)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] CCN(CC)C(=O)[C@H](C)N1CCc2ccc(cc2C1)[*:1]
COC(=O)c1cccc2c1CCCN2Cn1nc(C)c(C)c(C#N)c1=O COC(=O)[*:1] Cc1nn(CN2CCCc3c2cccc3[*:1])c(=O)c(C#N)c1C
O=C(NCC(=O)N1CCCC1)N[C@@H]1CCCC[C@H]1OC1CCCC1 O=C(C[*:1])N1CCCC1 O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)N[*:1]
O=C(NCC(=O)N1CCCC1)N[C@@H]1CCCC[C@H]1OC1CCCC1 O=C(N1CCCC1)[*:1] O=C(NC[*:1])N[C@@H]1CCCC[C@H]1OC1CCCC1
O=C(NCC(=O)N1CCCC1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(NCC(=O)N1CCCC1)N[C@@H]1CCCC[C@H]1O[*:1]
O=C(NCC(=O)N1CCCC1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(NCC(=O)N1CCCC1)N[C@@H]1CCCC[C@@H]1[*:1]
C[C@@H](CC(=O)[O-])CC(=O)N1C[C@H](C)[C@@H](C)C1 O=C([O-])C[*:1] C[C@H]1CN(C[C@@H]1C)C(=O)C[C@H](C)[*:1]
C[C@@H](CC(=O)[O-])CC(=O)N1C[C@H](C)[C@@H](C)C1 O=C([O-])[*:1] C[C@H](CC(=O)N1C[C@H](C)[C@@H](C)C1)C[*:1]
Cc1ccc(-c2nnc(CS(=O)(=O)c3cccs3)o2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)-c1nnc(CS(=O)(=O)[*:1])o1
Cc1ccc(-c2nnc(CS(=O)(=O)c3cccs3)o2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Cc1nnc(o1)[*:1])c1cccs1
O=C(Nc1nc(-c2cccnc2)cs1)c1ccc2ncsc2c1 c1cncc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc2ncsc2c1
COc1ccccc1-c1c(NC(=O)c2ccccc2C)n(C)c2ccccc2c1=O Cc1ccccc1C(=O)N[*:1] COc1ccccc1-c1c(n(C)c2ccccc2c1=O)[*:1]
COc1ccccc1-c1c(NC(=O)c2ccccc2C)n(C)c2ccccc2c1=O Cc1ccccc1[*:1] COc1ccccc1-c1c(NC(=O)[*:1])n(C)c2ccccc2c1=O
COc1ccccc1-c1c(NC(=O)c2ccccc2C)n(C)c2ccccc2c1=O COc1ccccc1[*:1] Cc1ccccc1C(=O)Nc1c(c(=O)c2ccccc2n1C)[*:1]
Cn1c(C(=O)NC2CCCC2)cc2sccc21 C1CCC(C1)[*:1] Cn1c(cc2sccc21)C(=O)N[*:1]
CC(C)c1cccc(NC(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)c1 CC(C)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)Nc1cccc(c1)[*:1]
O=C1COc2cc(NC(=O)c3ccncc3)c(Cl)cc2N1 c1cc(ccn1)[*:1] O=C1COc2cc(NC(=O)[*:1])c(Cl)cc2N1
CC(C)NC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)NC(=O)/C(C#N)=c1\sc(=C[*:1])c(=O)n1-c1ccccc1
CC(C)NC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)NC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2)c(=O)n1[*:1]
CC(C)NC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2)c(=O)n1-c1ccccc1 CC(C)[*:1] N#C/C(C(=O)N[*:1])=c1/s/c(=C\c2ccccc2)c(=O)n1-c1ccccc1
CC(C)NC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2)c(=O)n1-c1ccccc1 CC(C)NC(=O)[*:1] N#CC(=c1s/c(=C\c2ccccc2)c(=O)n1-c1ccccc1)[*:1]
CCc1nn(C)cc1CNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)cc1CNC(=O)[C@@H]1C[C@H]1[*:1]
Cc1occc1C(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@H]21 O=C([O-])[*:1] Cc1occc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1[*:1]
Cc1occc1C(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@H]21 Cc1occc1[*:1] O=C([O-])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[*:1]
CCCC[NH+](C)CCNC(=O)c1c([O-])nc2cc(C)ccn2c1=O CCCC[*:1] Cc1ccn2c(=O)c(C(=O)NCC[NH+](C)[*:1])c([O-])nc2c1
CCCC[NH+](C)CCNC(=O)c1c([O-])nc2cc(C)ccn2c1=O CCC[*:1] Cc1ccn2c(=O)c(C(=O)NCC[NH+](C)C[*:1])c([O-])nc2c1
COc1cccc(N2CCN(C(=O)C3(O)CCCC3)CC2)c1 OC1(CCCC1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)[*:1]
c1nc(CN[C@@H]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n[nH]1 c1nc(n[nH]1)[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCCC[C@H]1NC[*:1]
c1nc(CN[C@@H]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n[nH]1 c1nc(C[*:1])n[nH]1 C1C[NH2+][C@@H](C1)[C@H]1CCCC[C@H]1N[*:1]
Cc1ccnc2nc(C(=O)Nc3ccc(Nc4ccccc4)cc3)nn12 c1ccc(cc1)N[*:1] Cc1ccnc2nc(nn12)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccnc2nc(C(=O)Nc3ccc(Nc4ccccc4)cc3)nn12 c1ccc(cc1)[*:1] Cc1ccnc2nc(nn12)C(=O)Nc1ccc(cc1)N[*:1]
O=c1oc2cc(OCc3nnn[n-]3)ccc2cc1-c1ccccc1 c1ccc(cc1)[*:1] O=c1oc2cc(ccc2cc1[*:1])OCc1nnn[n-]1
CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](O)C1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](O)C1)[*:1]
CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](O)C1)N1CCOCC1 CC(C)C[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NC[C@H](N1CCOCC1)[*:1]
CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](O)C1)N1CCOCC1 CC(C)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NC[C@@H](C[*:1])N1CCOCC1
COc1cccc(C(=O)O[C@H](C)C(=O)c2ccccc2)c1O c1ccc(cc1)[*:1] COc1cccc(C(=O)O[C@H](C)C(=O)[*:1])c1O
CO[C@H](CNC(=O)C(=O)Nc1cccnc1-n1cccn1)c1ccccc1 c1cnn(c1)[*:1] CO[C@H](CNC(=O)C(=O)Nc1cccnc1[*:1])c1ccccc1
CO[C@H](CNC(=O)C(=O)Nc1cccnc1-n1cccn1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](CNC(=O)C(=O)Nc1cccnc1-n1cccn1)[*:1]
CO[C@H](CNC(=O)C(=O)Nc1cccnc1-n1cccn1)c1ccccc1 CO[C@H](c1ccccc1)[*:1] O=C(NC[*:1])C(=O)Nc1cccnc1-n1cccn1
O=C(COC1CCCC1)Nc1cccc(Cl)c1-n1cccn1 c1cnn(c1)[*:1] O=C(COC1CCCC1)Nc1cccc(Cl)c1[*:1]
O=C(COC1CCCC1)Nc1cccc(Cl)c1-n1cccn1 C1CCC(C1)OC[*:1] O=C(Nc1cccc(Cl)c1-n1cccn1)[*:1]
O=C(COC1CCCC1)Nc1cccc(Cl)c1-n1cccn1 C1CCC(C1)[*:1] O=C(CO[*:1])Nc1cccc(Cl)c1-n1cccn1
O=C(COC1CCCC1)Nc1cccc(Cl)c1-n1cccn1 C1CCC(C1)O[*:1] O=C(C[*:1])Nc1cccc(Cl)c1-n1cccn1
NC(=O)c1cc(Cl)ccc1NCC(=O)N1CCC[C@H]2CCCC[C@H]21 NC(=O)[*:1] O=C(CNc1ccc(Cl)cc1[*:1])N1CCC[C@H]2CCCC[C@H]21
CCC[NH2+][C@H](C)c1ccc(O[C@H]2CCC[C@H](C)C2)cc1 CCC[*:1] C[C@H]1CCC[C@@H](C1)Oc1ccc(cc1)[C@@H](C)[NH2+][*:1]
O=C([O-])[C@@H](CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] O=S1(=O)CC[C@H](C1)[C@H](CCc1ccccc1)[*:1]
O=C([O-])[C@@H](CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C([O-])[C@@H](CC[*:1])[C@@H]1CCS(=O)(=O)C1
CC[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1F)C(=O)N1CCOCC1 Fc1ccccc1[*:1] CC[C@@H](NC(=O)N(C)[C@H](C)[*:1])C(=O)N1CCOCC1
CC[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1F)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1F)[*:1]
COC(=O)c1ccc2c(c1)C1(CC1)CNC2 COC(=O)[*:1] c1cc2CNCC3(CC3)c2cc1[*:1]
CCOc1cc(C)nc(N2CCN(C[C@@H](O)Cn3cccn3)CC2)n1 CCO[*:1] Cc1cc(nc(n1)N1CCN(CC1)C[C@@H](O)Cn1cccn1)[*:1]
CCOc1cc(C)nc(N2CCN(C[C@@H](O)Cn3cccn3)CC2)n1 c1cnn(c1)C[*:1] CCOc1cc(C)nc(n1)N1CCN(CC1)C[C@@H](O)[*:1]
CCOc1cc(C)nc(N2CCN(C[C@@H](O)Cn3cccn3)CC2)n1 c1cnn(c1)[*:1] CCOc1cc(C)nc(n1)N1CCN(CC1)C[C@@H](O)C[*:1]
O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc12)N1CCc2ccccc2C1 c1cncc(c1)[*:1] O=C(c1cc(nc2ccc(Cl)cc12)[*:1])N1CCc2ccccc2C1
CC(C)Cc1cc(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)[nH]n1 CC(C)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)NC(=O)c1cc(C[*:1])n[nH]1
CC(C)Cc1cc(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)[nH]n1 CS(=O)(=O)[*:1] CC(C)Cc1cc([nH]n1)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
CC(C)Cc1cc(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)[nH]n1 CC(C)C[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)NC(=O)c1cc(n[nH]1)[*:1]
C#CCCN1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 C#CC[*:1] O=C(c1cccc(c1)Oc1ccccc1)N1CCN(CC1)C[*:1]
C#CCCN1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 c1ccc(cc1)O[*:1] C#CCCN1CCN(CC1)C(=O)c1cccc(c1)[*:1]
C#CCCN1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 c1ccc(cc1)[*:1] C#CCCN1CCN(CC1)C(=O)c1cccc(c1)O[*:1]
C#CCCN1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 C#CCC[*:1] O=C(c1cccc(c1)Oc1ccccc1)N1CCN(CC1)[*:1]
Cc1ccc2c(CNC(=O)[C@@H](Cl)c3ccccc3)cc(=O)oc2c1 c1ccc(cc1)[*:1] Cc1ccc2c(cc(=O)oc2c1)CNC(=O)[C@@H](Cl)[*:1]
Cc1ccc2c(CNC(=O)[C@@H](Cl)c3ccccc3)cc(=O)oc2c1 Cl[C@@H](c1ccccc1)[*:1] Cc1ccc2c(cc(=O)oc2c1)CNC(=O)[*:1]
N#Cc1ccc(C(=O)NCC#CCOc2ccccc2Cl)cc1 Clc1ccccc1[*:1] N#Cc1ccc(cc1)C(=O)NCC#CCO[*:1]
O=C(NC[C@@H]1CC=CCC1)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CC=CCC1)c1cnc(cn1)O[*:1]
O=C(NC[C@@H]1CC=CCC1)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] O=C(NC[C@@H]1CC=CCC1)c1cnc(cn1)[*:1]
COc1cccc(C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] COc1cccc(n1)C(=O)N[C@H]1C[C@H]1[*:1]
O=C(N[C@H](NCc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O Clc1ccc(cc1)[*:1] O=C(N[C@H](NC[*:1])C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O
O=C(N[C@H](NCc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O Clc1ccc(cc1)CN[*:1] O=C(N[C@H](C(Cl)(Cl)Cl)[*:1])c1cc2ccccc2oc1=O
O=C(N[C@H](NCc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O Clc1ccc(cc1)C[*:1] O=C(N[C@H](N[*:1])C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O
O=C(N[C@H](NCc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O ClC(Cl)(Cl)[*:1] O=C(N[C@H](NCc1ccc(Cl)cc1)[*:1])c1cc2ccccc2oc1=O
C=CCn1c(N2CCc3ccccc3C2)cc(=O)n(C)c1=O C=CC[*:1] Cn1c(=O)cc(N2CCc3ccccc3C2)n(c1=O)[*:1]
c1ccc(-n2nnnc2CSC[C@H]2CCCCO2)cc1 C1CC[C@@H](OC1)[*:1] c1ccc(cc1)-n1nnnc1CSC[*:1]
c1ccc(-n2nnnc2CSC[C@H]2CCCCO2)cc1 c1ccc(cc1)[*:1] C1CC[C@H](CSCc2nnnn2[*:1])OC1
O=C(NC[C@@H](O)CO)Nc1cc(Br)cc(C(F)(F)F)c1 OC[C@H](O)C[*:1] O=C(Nc1cc(Br)cc(c1)C(F)(F)F)N[*:1]
O=C(NC[C@@H](O)CO)Nc1cc(Br)cc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NC[C@@H](O)CO)Nc1cc(Br)cc(c1)[*:1]
O=C(NC[C@@H](O)CO)Nc1cc(Br)cc(C(F)(F)F)c1 OC[C@H](O)[*:1] O=C(NC[*:1])Nc1cc(Br)cc(c1)C(F)(F)F
C[C@@H]1SCCN(Cc2cnc(N(C)C)s2)[C@@H]1c1ccccc1 CN(C)[*:1] C[C@@H]1SCCN(Cc2cnc(s2)[*:1])[C@@H]1c1ccccc1
C[C@@H]1SCCN(Cc2cnc(N(C)C)s2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1SCCN(Cc2cnc(s2)N(C)C)[C@H]1[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)N1CCSC[C@@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N1CCSC[C@H]1[*:1]
CC(=O)CCc1ccc(OC(=O)C=C2CCSCC2)cc1 CC(=O)CC[*:1] O=C(C=C1CCSCC1)Oc1ccc(cc1)[*:1]
CC(=O)CCc1ccc(OC(=O)C=C2CCSCC2)cc1 CC(=O)[*:1] O=C(C=C1CCSCC1)Oc1ccc(cc1)CC[*:1]
CC(=O)CCc1ccc(OC(=O)C=C2CCSCC2)cc1 CC(=O)C[*:1] O=C(C=C1CCSCC1)Oc1ccc(cc1)C[*:1]
C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O c1ccc(cc1)[*:1] C[C@@H](N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O)[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1 CC(=O)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1 CC(=O)c1ccc(cc1)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCN1CC(=O)Nc2cc(C(=O)NC3CCC(C)(C)CC3)ccc21 CC1(C)CCC(CC1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 O=C(C[*:1])N1CCCC1 Cc1cc(C)c(c(C)c1C(=O)N1CCC(CC1)[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] Cc1cc(C)c(c(C)c1C(=O)N1CCC(CC1)C[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)N1CCC(CC1)CC(=O)N1CCCC1)[*:1]
CC(=O)c1cccc(OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 C1CO[C@@H](C1)CO[*:1] CC(=O)c1cccc(c1)OC(=O)c1ccc(cc1)[*:1]
CC(=O)c1cccc(OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 CC(=O)[*:1] O=C(Oc1cccc(c1)[*:1])c1ccc(cc1)OC[C@@H]1CCCO1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1 c1cc2OCOc2cc1[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)O[C@H](C)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](OC(=O)C1CCN(CC1)S(=O)(=O)[*:1])C(=O)Nc1ccc2OCOc2c1
COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1C[*:1]
COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC COc1cc(cc(OC)c1OC)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](N1Cc1ccc(F)cc1)[*:1]
COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC Fc1ccc(cc1)C[*:1] COc1cc(cc(OC)c1OC)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
CC[NH+](CCn1cc(N)ccc1=O)Cc1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CCn1cc(N)ccc1=O)C[*:1]
Cc1ncsc1C(=O)Oc1ccc(Oc2nccs2)cc1 c1csc(n1)O[*:1] Cc1ncsc1C(=O)Oc1ccc(cc1)[*:1]
Cc1ncsc1C(=O)Oc1ccc(Oc2nccs2)cc1 c1csc(n1)[*:1] Cc1ncsc1C(=O)Oc1ccc(cc1)O[*:1]
Cc1ncsc1C(=O)Oc1ccc(Oc2nccs2)cc1 Cc1ncsc1[*:1] O=C(Oc1ccc(cc1)Oc1nccs1)[*:1]
Cc1nnc([C@@H](C)N(C)CCc2ccccc2)o1 Cc1nnc(o1)[*:1] C[C@@H](N(C)CCc1ccccc1)[*:1]
Cc1nnc([C@@H](C)N(C)CCc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1nnc(o1)[C@@H](C)N(C)CC[*:1]
Cc1cccc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c1 Cc1cccc(c1)[*:1] O=C(CSc1nnc2c(Cl)cc(Cl)cn12)N[*:1]
C[C@]1(c2ccco2)NC(=O)N(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1=O c1coc(c1)[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1=O)[*:1]
CC[C@@H](NC(=O)N(C)[C@@H]1CCc2ccccc21)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H](NC(=O)N(C)[C@@H]1CCc2ccccc21)[*:1]
CCc1nc(C)sc1CN1CCC=C(C[C@H](C)NC(C)=O)C1 CC(=O)N[C@@H](C)C[*:1] CCc1nc(C)sc1CN1CCC=C(C1)[*:1]
CCc1nc(C)sc1CN1CCC=C(C[C@H](C)NC(C)=O)C1 CC(=O)N[*:1] CCc1nc(C)sc1CN1CCC=C(C[C@H](C)[*:1])C1
CCc1nc(C)sc1CN1CCC=C(C[C@H](C)NC(C)=O)C1 CC(=O)N[C@@H](C)[*:1] CCc1nc(C)sc1CN1CCC=C(C1)C[*:1]
Cc1cc(N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)nc(C(C)C)[nH+]1 Cn1cc(cc1C(N)=O)[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)nc(C(C)C)[nH+]1 NC(=O)[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)S(=O)(=O)c1cc(n(C)c1)[*:1]
Cc1cc(N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCN(CC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1
CC(C)(C)c1nc(CNC(=O)C(=O)Nc2ccc3c(c2)COC3)cs1 CC(C)(C)[*:1] O=C(NCc1csc(n1)[*:1])C(=O)Nc1ccc2COCc2c1
CCCNC(=O)CCNC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C CCCNC(=O)[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCC[*:1]
CCCNC(=O)CCNC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C CCCNC(=O)CC[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[*:1]
CCCNC(=O)CCNC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C CCC[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCCC(=O)N[*:1]
CCCNC(=O)CCNC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C CCCNC(=O)C[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NC[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O O=[N+]([O-])[*:1] CCC[C@@H](C)N1C[C@H](CC1=O)C(=O)Nc1cc(ccc1C)[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O CCC[C@@H](C)[*:1] Cc1ccc(cc1NC(=O)[C@H]1CC(=O)N(C1)[*:1])[N+](=O)[O-]
CCC[C@@H](C)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O CCC[*:1] Cc1ccc(cc1NC(=O)[C@H]1CC(=O)N(C1)[C@H](C)[*:1])[N+](=O)[O-]
C[C@@H]1CN(c2cccc(OCC#N)c2)S(=O)(=O)C1 N#CCO[*:1] C[C@@H]1CN(c2cccc(c2)[*:1])S(=O)(=O)C1
C[C@@H]1CN(c2cccc(OCC#N)c2)S(=O)(=O)C1 N#CC[*:1] C[C@@H]1CN(c2cccc(c2)O[*:1])S(=O)(=O)C1
CCc1ccc(Nc2nc(OCC(=O)[O-])cc(-c3cccnc3)n2)cc1 c1cncc(c1)[*:1] CCc1ccc(cc1)Nc1nc(cc(n1)[*:1])OCC(=O)[O-]
CCc1ccc(Nc2nc(OCC(=O)[O-])cc(-c3cccnc3)n2)cc1 CCc1ccc(cc1)[*:1] O=C([O-])COc1cc(nc(n1)N[*:1])-c1cccnc1
CCc1ccc(Nc2nc(OCC(=O)[O-])cc(-c3cccnc3)n2)cc1 O=C([O-])C[*:1] CCc1ccc(cc1)Nc1nc(cc(n1)-c1cccnc1)O[*:1]
CCc1ccc(Nc2nc(OCC(=O)[O-])cc(-c3cccnc3)n2)cc1 O=C([O-])[*:1] CCc1ccc(cc1)Nc1nc(cc(n1)-c1cccnc1)OC[*:1]
CCc1ccc(Nc2nc(OCC(=O)[O-])cc(-c3cccnc3)n2)cc1 O=C([O-])CO[*:1] CCc1ccc(cc1)Nc1nc(cc(n1)[*:1])-c1cccnc1
C[C@H](C(=O)Nc1cccc2ncccc12)[NH+]1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] C[C@H](C(=O)Nc1cccc2ncccc12)[NH+]1CCN(CC1)[*:1]
C[C@@H](c1nc(Cc2ccc(F)cc2)no1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[*:1]
Cc1ccc2cc(C[NH2+]CCCN3CCOCC3)c(=O)[nH]c2c1 C1CN(CCO1)[*:1] Cc1ccc2cc(C[NH2+]CCC[*:1])c(=O)[nH]c2c1
Cc1ccc2cc(C[NH2+]CCCN3CCOCC3)c(=O)[nH]c2c1 C1CN(CCO1)C[*:1] Cc1ccc2cc(C[NH2+]CC[*:1])c(=O)[nH]c2c1
CC(=O)Nc1cccc(NC(=O)c2ccc[nH]2)c1C c1c[nH]c(c1)[*:1] CC(=O)Nc1cccc(NC(=O)[*:1])c1C
CC(=O)Nc1cccc(NC(=O)c2ccc[nH]2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc[nH]1
C[C@H](NC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C(C)(C)C[NH+](C)C NC(=O)[*:1] C[C@H](NC(=O)Nc1ccc(c(Cl)c1)[*:1])C(C)(C)C[NH+](C)C
CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)F CC(C)[C@H](C)[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)C(=O)N[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)CO[*:1] CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)F CC(C)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)F)[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)[*:1] CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OC[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)C[*:1] CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1O[*:1]
CC(C)NC(=O)Nc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1 CC(C)NC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1SCCc2ccccc21
CC(C)NC(=O)Nc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)NC(=O)[C@@H]1SCCc2ccccc21)N[*:1]
Cc1cc(C)cc(N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cc(C)cc(c1)N[C@@H](C)C(=O)NC(=O)N[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)c1cnc(Oc2ccccc2)cn1 COc1ccccc1[*:1] C[C@H](N(C)C(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] COc1ccccc1[C@H](C)N(C)C(=O)c1cnc(cn1)O[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] COc1ccccc1[C@H](C)N(C)C(=O)c1cnc(cn1)[*:1]
Cc1cc(C)cc(NC(=O)C(=O)NCCc2nc3ccccc3s2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCc1nc2ccccc2s1)C(=O)N[*:1]
CCOC(=O)c1ccc(NC(=O)CCc2c(C)nn3cnnc3c2C)cc1 CCOC(=O)[*:1] Cc1nn2cnnc2c(C)c1CCC(=O)Nc1ccc(cc1)[*:1]
CCN(CC)C(=O)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)[*:1]
Cc1cc(C)c2c(c1)N(CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)CCC2 CC(C)N(C)C(=O)[*:1] Cc1cc(C)c2CCCN(CC(=O)N3CCC(CC3)[*:1])c2c1
Cc1cc(C)c2c(c1)N(CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)CCC2 CC(C)[*:1] Cc1cc(C)c2CCCN(CC(=O)N3CCC(CC3)C(=O)N(C)[*:1])c2c1
CCc1nn(C)cc1NC(=O)N[C@@H]1C[C@@H]1c1ccccc1Br Brc1ccccc1[*:1] CCc1nn(C)cc1NC(=O)N[C@@H]1C[C@H]1[*:1]
CN(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N(c1ccccc1)c1ccccc1C(=O)[O-] O=C([O-])c1ccccc1[*:1] CN(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N(c1ccccc1)[*:1]
CN(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N(c1ccccc1)c1ccccc1C(=O)[O-] O=C([O-])[*:1] CN(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N(c1ccccc1)c1ccccc1[*:1]
CN(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N(c1ccccc1)c1ccccc1C(=O)[O-] c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N(c1ccccc1C(=O)[O-])[*:1]
CN(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N(c1ccccc1)c1ccccc1C(=O)[O-] CN(C)C(=O)[*:1] O=C([O-])c1ccccc1N(C(=O)[C@@H]1CC=CC[C@H]1[*:1])c1ccccc1
CCn1ncc(NC(=O)Cn2cc(N)cn2)c1C(N)=O Nc1cnn(c1)[*:1] CCn1ncc(NC(=O)C[*:1])c1C(N)=O
CCn1ncc(NC(=O)Cn2cc(N)cn2)c1C(N)=O NC(=O)[*:1] CCn1ncc(NC(=O)Cn2cc(N)cn2)c1[*:1]
CCCOc1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 CCC[*:1] c1cc(ccc1OCC[C@H]1CCC[NH2+]C1)O[*:1]
CCCOc1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 CCCO[*:1] c1cc(ccc1OCC[C@H]1CCC[NH2+]C1)[*:1]
O=C(CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(CC[*:1])N1CCc2cc(ccc21)S(=O)(=O)N1CCCCC1
O=C(CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] O=C(CCC(=O)N1CCc2cc(ccc21)[*:1])N1CCCCC1
O=C(CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CCCCC1 O=C(C[*:1])N1CCCCC1 O=C(C[*:1])N1CCc2cc(ccc21)S(=O)(=O)N1CCCCC1
O=C(CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CCCCC1 O=C(CC[*:1])N1CCCCC1 O=C(N1CCc2cc(ccc21)S(=O)(=O)N1CCCCC1)[*:1]
COc1cc(NCc2c[nH]nc2C(C)(C)C)c(OC)cc1Cl CC(C)(C)[*:1] COc1cc(NCc2c[nH]nc2[*:1])c(cc1Cl)OC
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CSCc2cscn2)C1 COC(=O)C(C)(C)[*:1] O=C(CSCc1cscn1)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CSCc2cscn2)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)C(=O)CSCc1cscn1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CSCc2cscn2)C1 c1nc(cs1)C[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)CS[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CSCc2cscn2)C1 c1nc(cs1)CS[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)C[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CSCc2cscn2)C1 c1nc(cs1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)CSC[*:1]
C=CCn1c(=O)/c(=C\c2cccc(OCC)c2)s/c1=C(\C#N)C(=O)C(C)C CCO[*:1] C=CCn1c(=O)/c(=C\c2cccc(c2)[*:1])s/c1=C(\C#N)C(=O)C(C)C
C=CCn1c(=O)/c(=C\c2cccc(OCC)c2)s/c1=C(\C#N)C(=O)C(C)C CC(C)C(=O)[*:1] C=CCn1c(=O)/c(=C\c2cccc(c2)OCC)sc1=C(C#N)[*:1]
C=CCn1c(=O)/c(=C\c2cccc(OCC)c2)s/c1=C(\C#N)C(=O)C(C)C CCOc1cccc(c1)[*:1] C=CCn1c(=O)c(=C[*:1])s/c1=C(\C#N)C(=O)C(C)C
C=CCn1c(=O)/c(=C\c2cccc(OCC)c2)s/c1=C(\C#N)C(=O)C(C)C CC(C)[*:1] C=CCn1c(=O)/c(=C\c2cccc(c2)OCC)s/c1=C(\C#N)C(=O)[*:1]
C=CCn1c(=O)/c(=C\c2cccc(OCC)c2)s/c1=C(\C#N)C(=O)C(C)C C=CC[*:1] CCOc1cccc(/C=c2/s/c(=C(\C#N)C(=O)C(C)C)n(c2=O)[*:1])c1
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOCC(F)(F)F)C1=O O=[N+]([O-])[*:1] C[C@]1(NC(=O)N(CCOCC(F)(F)F)C1=O)c1ccc(cc1)[*:1]
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOCC(F)(F)F)C1=O FC(F)(F)COC[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOCC(F)(F)F)C1=O FC(F)(F)C[*:1] C[C@]1(NC(=O)N(CCO[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOCC(F)(F)F)C1=O FC(F)(F)COCC[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOCC(F)(F)F)C1=O FC(F)(F)CO[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOCC(F)(F)F)C1=O FC(F)(F)[*:1] C[C@]1(NC(=O)N(CCOC[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
CCc1cn[nH]c1C1CCN(c2ncc(F)c(N3CCOCC3)n2)CC1 CCc1cn[nH]c1[*:1] Fc1cnc(nc1N1CCOCC1)N1CCC(CC1)[*:1]
CCc1cn[nH]c1C1CCN(c2ncc(F)c(N3CCOCC3)n2)CC1 C1CN(CCO1)[*:1] CCc1cn[nH]c1C1CCN(CC1)c1ncc(F)c(n1)[*:1]
C/C(=C/C(=O)N1CCC[C@H]1C(=O)N(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC(=CC(=O)N1CCC[C@H]1C(=O)N(C)C)[*:1]
C/C(=C/C(=O)N1CCC[C@H]1C(=O)N(C)C)c1ccccc1 CN(C)C(=O)[*:1] C/C(=C/C(=O)N1CCC[C@@H]1[*:1])c1ccccc1
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1sccc1C1CC1 C1CC1[*:1] COc1ccc(cc1NC(=O)c1sccc1[*:1])C(=O)N1CCCC1
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1sccc1C1CC1 O=C(N1CCCC1)[*:1] COc1ccc(cc1NC(=O)c1sccc1C1CC1)[*:1]
COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1sccc1C1CC1 c1cc(c(s1)[*:1])C1CC1 COc1ccc(cc1NC(=O)[*:1])C(=O)N1CCCC1
O=[N+]([O-])c1ccc(/C=C(\Cl)C=C2SC(=S)N=C2[O-])cc1 O=[N+]([O-])[*:1] [O-]C1=NC(=S)SC1=C/C(Cl)=C/c1ccc(cc1)[*:1]
CS[C@H]1CC[C@@H](NC(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)C1 Cc1ccc(cc1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)N1CCN(CC1)C(=O)[*:1]
COc1cc(Br)ccc1OCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl COc1cc(Br)ccc1[*:1] Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CO[*:1]
COc1cc(Br)ccc1OCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl c1ccc(cc1)[*:1] COc1cc(Br)ccc1OCC(=O)N/N=C/c1c(C)nn(c1Cl)[*:1]
Cc1cnc([C@@H](C)NC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)s1 Cc1cnc(s1)[*:1] C[C@H](CC(=O)N[C@H](C)[*:1])Cc1ccc(Cl)cc1
Cc1cnc([C@@H](C)NC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)C[C@@H](C)C[*:1]
C=C(C)COc1ccccc1NC(=O)N1CCOC[C@@H](CO)C1 C=C(C)C[*:1] O=C(Nc1ccccc1O[*:1])N1CCOC[C@@H](CO)C1
C=C(C)COc1ccccc1NC(=O)N1CCOC[C@@H](CO)C1 C=C(C)CO[*:1] O=C(Nc1ccccc1[*:1])N1CCOC[C@@H](CO)C1
C=C(C)COc1ccccc1NC(=O)N1CCOC[C@@H](CO)C1 C=C(C)[*:1] O=C(Nc1ccccc1OC[*:1])N1CCOC[C@@H](CO)C1
O[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)C1CCOCC1 C1CC(CCO1)[*:1] O[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)[*:1]
CCn1ccc([C@@H](C)NC(=O)[C@H](C)n2ccc(C(=O)[O-])n2)n1 O=C([O-])[*:1] CCn1ccc(n1)[C@@H](C)NC(=O)[C@H](C)n1ccc(n1)[*:1]
CCn1ccc([C@@H](C)NC(=O)[C@H](C)n2ccc(C(=O)[O-])n2)n1 CCn1ccc(n1)[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])n1ccc(n1)C(=O)[O-]
COc1ccc(Cc2noc(-c3nonc3N)n2)cn1 Nc1nonc1[*:1] COc1ccc(cn1)Cc1noc(n1)[*:1]
Clc1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cn1 Clc1ccc(cn1)C[*:1] c1cc2OCCOc2cc1-c1n[nH]cc1CN[*:1]
Clc1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cn1 Clc1ccc(cn1)[*:1] c1cc2OCCOc2cc1-c1n[nH]cc1CNC[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CC[NH+]1CCCCC1 O=C([O-])[*:1] CC[NH2+][C@]1(CCC[C@H]1CC[NH+]1CCCCC1)[*:1]
COCCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 COCC[*:1] Nc1c(C(=O)O[*:1])c2nc3ccccc3nc2n1C1CCCCC1
COCCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 C1CCC(CC1)[*:1] COCCOC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
COCCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 COCCOC(=O)[*:1] Nc1c(c2nc3ccccc3nc2n1C1CCCCC1)[*:1]
COCCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 COC[*:1] Nc1c(C(=O)OC[*:1])c2nc3ccccc3nc2n1C1CCCCC1
COc1ccc(CN(C)C(=O)[C@@H](C)Cc2ccccc2F)cc1C Fc1ccccc1C[*:1] COc1ccc(cc1C)CN(C)C(=O)[C@@H](C)[*:1]
COc1ccc(CN(C)C(=O)[C@@H](C)Cc2ccccc2F)cc1C Fc1ccccc1[*:1] COc1ccc(cc1C)CN(C)C(=O)[C@@H](C)C[*:1]
COc1cc(C)c(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1cc(C)c(cc1OC)NC(=O)C[C@@H](NC(C)=O)[*:1]
COc1cc(C)c(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1OC CC(=O)N[*:1] COc1cc(C)c(cc1OC)NC(=O)C[C@@H](c1ccccc1)[*:1]
CC(C)NC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 CC(C)[*:1] O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
CC(C)NC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 c1coc(c1)[*:1] CC(C)NC(=O)C(=O)NC[C@H](S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CC(C)NC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)NC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)Cc1csc(n1)NC(=O)[*:1]
CC(C)c1cc(C(=O)OCCOc2cncc(Cl)n2)nn1C Clc1cncc(n1)[*:1] CC(C)c1cc(nn1C)C(=O)OCCO[*:1]
CC(C)c1cc(C(=O)OCCOc2cncc(Cl)n2)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)OCCOc1cncc(Cl)n1
CCC[NH+](CCn1cc(N)ccc1=O)C1CC1 C1CC1[*:1] CCC[NH+](CCn1cc(N)ccc1=O)[*:1]
CCC[NH+](CCn1cc(N)ccc1=O)C1CC1 CCC[*:1] Nc1ccc(=O)n(c1)CC[NH+](C1CC1)[*:1]
Cc1ccc(Br)cc1C(=O)N[C@@H](CO)C(C)C CC(C)[*:1] Cc1ccc(Br)cc1C(=O)N[C@@H](CO)[*:1]
Cc1n[nH]c(C)c1CCOC(=O)c1csc(-c2ccco2)n1 c1coc(c1)[*:1] Cc1n[nH]c(C)c1CCOC(=O)c1csc(n1)[*:1]
Cc1n[nH]c(C)c1CCOC(=O)c1csc(-c2ccco2)n1 Cc1n[nH]c(C)c1[*:1] O=C(OCC[*:1])c1csc(n1)-c1ccco1
Cc1cc(OCC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc(C)c1Cl Cc1cc(cc(C)c1Cl)O[*:1] O=C(C[*:1])Nc1cc(ncn1)N1CCN(CC1)c1ccccc1
Cc1cc(OCC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] O=C(CO[*:1])Nc1cc(ncn1)N1CCN(CC1)c1ccccc1
Cc1cc(OCC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc(C)c1Cl c1ccc(cc1)[*:1] Cc1cc(cc(C)c1Cl)OCC(=O)Nc1cc(ncn1)N1CCN(CC1)[*:1]
Cc1ccc(OC(F)F)c([C@@H](C)NCCc2nc[nH]n2)c1 FC(F)[*:1] Cc1ccc(O[*:1])c(c1)[C@@H](C)NCCc1nc[nH]n1
Cc1ccc(OC(F)F)c([C@@H](C)NCCc2nc[nH]n2)c1 FC(F)O[*:1] Cc1ccc(c(c1)[C@@H](C)NCCc1nc[nH]n1)[*:1]
O=C(NCc1ccc(F)cc1)C1CCN(c2nnc(-n3cccc3)s2)CC1 c1ccn(c1)[*:1] O=C(NCc1ccc(F)cc1)C1CCN(CC1)c1nnc(s1)[*:1]
O=C(NCc1ccc(F)cc1)C1CCN(c2nnc(-n3cccc3)s2)CC1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)c1nnc(s1)-n1cccc1
O=C(NCc1ccc(F)cc1)C1CCN(c2nnc(-n3cccc3)s2)CC1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1nnc(s1)-n1cccc1
CC1(C)Cc2nc3oc4c(SCC(=O)N5CCCC5)ncnc4c3cc2CO1 O=C(N1CCCC1)[*:1] CC1(C)Cc2nc3oc4c(ncnc4c3cc2CO1)SC[*:1]
CC1(C)Cc2nc3oc4c(SCC(=O)N5CCCC5)ncnc4c3cc2CO1 O=C(CS[*:1])N1CCCC1 CC1(C)Cc2nc3oc4c(ncnc4c3cc2CO1)[*:1]
CC1(C)Cc2nc3oc4c(SCC(=O)N5CCCC5)ncnc4c3cc2CO1 O=C(C[*:1])N1CCCC1 CC1(C)Cc2nc3oc4c(ncnc4c3cc2CO1)S[*:1]
Cc1cc(C)cc(C(=O)NCC(=O)NCc2cnn(-c3ccccc3)c2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CNC(=O)[*:1])NCc1cnn(c1)-c1ccccc1
Cc1cc(C)cc(C(=O)NCC(=O)NCc2cnn(-c3ccccc3)c2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)NCc1cnn(c1)[*:1]
O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 C1CC1[*:1] O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2[*:1])N1CCC[C@@H]1c1ccc2OCCOc2c1
O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCC[C@H]1[*:1]
COC(=O)CCC(=O)c1ccc(OC)c(OC)c1 COC(=O)[*:1] COc1ccc(cc1OC)C(=O)CC[*:1]
COC(=O)CCC(=O)c1ccc(OC)c(OC)c1 COC(=O)CC[*:1] COc1ccc(cc1OC)C(=O)[*:1]
COC(=O)CCC(=O)c1ccc(OC)c(OC)c1 COC(=O)C[*:1] COc1ccc(cc1OC)C(=O)C[*:1]
Cc1ccc(N2C[C@H](NC(=O)NCCn3ccc4ccccc43)CC2=O)cc1 c1ccc2c(c1)ccn2[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)NC(=O)NCC[*:1]
Cc1ccc(N2C[C@H](NC(=O)NCCn3ccc4ccccc43)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCCn1ccc2ccccc21)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(Cc1cnc(-n2cccc2)s1)NCCc1ccco1 c1coc(c1)C[*:1] O=C(Cc1cnc(s1)-n1cccc1)NC[*:1]
O=C(Cc1cnc(-n2cccc2)s1)NCCc1ccco1 c1coc(c1)CC[*:1] O=C(Cc1cnc(s1)-n1cccc1)N[*:1]
O=C(Cc1cnc(-n2cccc2)s1)NCCc1ccco1 c1coc(c1)[*:1] O=C(Cc1cnc(s1)-n1cccc1)NCC[*:1]
O=C(Cc1cnc(-n2cccc2)s1)NCCc1ccco1 c1ccn(c1)[*:1] O=C(Cc1cnc(s1)[*:1])NCCc1ccco1
C=CCN(CC(=O)[O-])C(=O)CSc1cccs1 C=CC[*:1] O=C([O-])CN(C(=O)CSc1cccs1)[*:1]
C=CCN(CC(=O)[O-])C(=O)CSc1cccs1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)CSc1cccs1
C=CCN(CC(=O)[O-])C(=O)CSc1cccs1 O=C([O-])C[*:1] C=CCN(C(=O)CSc1cccs1)[*:1]
C=CCN(CC(=O)[O-])C(=O)CSc1cccs1 c1csc(c1)[*:1] C=CCN(CC(=O)[O-])C(=O)CS[*:1]
CC[C@H](C)CN(CC)C(=O)[C@](C)([NH3+])C1CC1 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)[C@](C)([NH3+])C1CC1
CC[C@H](C)CN(CC)C(=O)[C@](C)([NH3+])C1CC1 CC[C@H](C)C[*:1] CCN(C(=O)[C@](C)([NH3+])C1CC1)[*:1]
CC[C@H](C)CN(CC)C(=O)[C@](C)([NH3+])C1CC1 C1CC1[*:1] CC[C@H](C)CN(CC)C(=O)[C@](C)([NH3+])[*:1]
CC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)OC(=O)[C@H]1CC(=O)N(C1)C[*:1]
CC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)OC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 CC(=O)[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)Oc1ccc(cc1)[*:1]
COc1ccc(CN2CCO[C@H](CC(=O)[O-])C2)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)CN1CCO[C@@H](C1)C[*:1]
COc1ccc(CN2CCO[C@H](CC(=O)[O-])C2)cc1OC O=C([O-])C[*:1] COc1ccc(cc1OC)CN1CCO[C@H](C1)[*:1]
O=C(C1CCOCC1)N1CCO[C@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(C1CCOCC1)N1CCO[C@H](C1)[*:1]
O=C(C1CCOCC1)N1CCO[C@H](Cc2ccccc2)C1 C1CC(CCO1)[*:1] O=C(N1CCO[C@H](Cc2ccccc2)C1)[*:1]
O=C(C1CCOCC1)N1CCO[C@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(C1CCOCC1)N1CCO[C@@H](C1)C[*:1]
Cc1sc(NC(=O)NNc2cnccn2)c(C#N)c1C c1cnc(cn1)[*:1] Cc1sc(NC(=O)NN[*:1])c(C#N)c1C
Cn1ncc2c(=O)[nH]c(NCc3ccccc3CN3CCN(c4ccccc4)CC3)nc21 c1ccc(cc1)[*:1] Cn1ncc2c(=O)[nH]c(nc21)NCc1ccccc1CN1CCN(CC1)[*:1]
C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)C(=O)N[*:1]
C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccccc1 c1ccc2c(c1)CCN2[*:1] C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[*:1])c1ccccc1
C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21)[*:1]
C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccccc1 c1csc(c1)[*:1] C[C@@H](NC(=O)C(=O)NC[C@@H](N1CCc2ccccc21)[*:1])c1ccccc1
[NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCN(c2nc3ccccc3s2)CC1 c1nc(c[nH]1)[*:1] [NH3+][C@@H](C[*:1])C(=O)N1CCN(CC1)c1nc2ccccc2s1
Cc1noc(C)c1CCCNC(=O)NCCC1CCCCC1 C1CCC(CC1)[*:1] Cc1noc(C)c1CCCNC(=O)NCC[*:1]
Cc1noc(C)c1CCCNC(=O)NCCC1CCCCC1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])NCCC1CCCCC1
Cc1noc(C)c1CCCNC(=O)NCCC1CCCCC1 C1CCC(CC1)C[*:1] Cc1noc(C)c1CCCNC(=O)NC[*:1]
COc1cc(Cl)c(C)cc1NCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] COc1cc(Cl)c(C)cc1NCC(=O)Nc1cc(OC)c(cc1C)[*:1]
CCOC(=O)c1cccc(NC[C@@H]2CCO[C@@H]2C(C)(C)C)n1 CC(C)(C)[*:1] CCOC(=O)c1cccc(n1)NC[C@@H]1CCO[C@H]1[*:1]
CCOC(=O)c1cccc(NC[C@@H]2CCO[C@@H]2C(C)(C)C)n1 CCOC(=O)[*:1] CC(C)(C)[C@H]1OCC[C@H]1CNc1cccc(n1)[*:1]
O=C1OCC(c2ccc(Br)s2)=C1c1ccc(F)cc1 Brc1ccc(s1)[*:1] O=C1OCC(=C1c1ccc(F)cc1)[*:1]
Cc1csc([C@H](C#N)C(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 Cc1csc(n1)[*:1] C[C@H](C(=O)[C@@H](C#N)[*:1])c1ccc(Cl)c(Cl)c1
CC(=O)Nc1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)ccc1C c1c[nH]c(n1)[*:1] CC(=O)Nc1cc(ccc1C)C(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)Nc1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCC[C@H](C1)c1ncc[nH]1
COc1ccc(C[C@H](C)CNC(=O)C2(Br)CCC2)cc1 BrC1(CCC1)[*:1] COc1ccc(cc1)C[C@H](C)CNC(=O)[*:1]
CC(C)C(=O)Nc1ccc(-n2cnc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)nc1 CC(C)C(=O)N[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1cn(cn1)-c1ccc(cn1)[*:1]
CC(C)C(=O)Nc1ccc(-n2cnc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)nc1 CC(C)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1cn(cn1)-c1ccc(cn1)NC(=O)[*:1]
Cn1c(CCN2CCOCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 O=[N+]([O-])[*:1] Cn1c(CCN2CCOCC2)nc2cc(ccc21)NC(=O)c1cccc(c1)[*:1]
Cn1c(CCN2CCOCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 C1CN(CCO1)C[*:1] Cn1c(C[*:1])nc2cc(ccc21)NC(=O)c1cccc(c1)[N+](=O)[O-]
Cn1c(CCN2CCOCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 C1CN(CCO1)[*:1] Cn1c(CC[*:1])nc2cc(ccc21)NC(=O)c1cccc(c1)[N+](=O)[O-]
Cn1c(CCN2CCOCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 O=[N+]([O-])c1cccc(c1)[*:1] Cn1c(CCN2CCOCC2)nc2cc(ccc21)NC(=O)[*:1]
Cn1c(CCN2CCOCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 C1CN(CCO1)CC[*:1] Cn1c(nc2cc(ccc21)NC(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
CCc1ccc(CNC(=O)CSc2ncn(-c3ccccc3)n2)s1 CCc1ccc(C[*:1])s1 O=C(CSc1ncn(n1)-c1ccccc1)N[*:1]
CCc1ccc(CNC(=O)CSc2ncn(-c3ccccc3)n2)s1 c1ccc(cc1)[*:1] CCc1ccc(CNC(=O)CSc2ncn(n2)[*:1])s1
CCc1ccc(CNC(=O)CSc2ncn(-c3ccccc3)n2)s1 CCc1ccc(s1)[*:1] O=C(CSc1ncn(n1)-c1ccccc1)NC[*:1]
O=C(NC1(C(=O)NCc2ccccc2)CCCCC1)c1cnc2cc(-c3ccccc3)[nH]n2c1=O O=C(NCc1ccccc1)[*:1] O=C(NC1(CCCCC1)[*:1])c1cnc2cc([nH]n2c1=O)-c1ccccc1
O=C(NC1(C(=O)NCc2ccccc2)CCCCC1)c1cnc2cc(-c3ccccc3)[nH]n2c1=O c1ccc(cc1)C[*:1] O=C(NC1(CCCCC1)C(=O)N[*:1])c1cnc2cc([nH]n2c1=O)-c1ccccc1
O=C(NC1(C(=O)NCc2ccccc2)CCCCC1)c1cnc2cc(-c3ccccc3)[nH]n2c1=O c1ccc(cc1)[*:1] O=C(NC1(CCCCC1)C(=O)NCc1ccccc1)c1cnc2cc([nH]n2c1=O)[*:1]
O=C(NC1(C(=O)NCc2ccccc2)CCCCC1)c1cnc2cc(-c3ccccc3)[nH]n2c1=O c1ccc(cc1)[*:1] O=C(NC1(CCCCC1)C(=O)NC[*:1])c1cnc2cc([nH]n2c1=O)-c1ccccc1
O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1COc2ccccc2O1 c1ncc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1COc2ccccc2O1
COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)c2ccccc2)CCN(C)C1=O COc1ccccc1[*:1] CN1CCN(C[C@H](Cc2ccccc2[*:1])C1=O)C(=O)c1ccccc1
COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)c2ccccc2)CCN(C)C1=O c1ccc(cc1)[*:1] COc1ccccc1-c1ccccc1C[C@H]1CN(CCN(C)C1=O)C(=O)[*:1]
O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccn(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccn(n1)[*:1]
Cc1cc(NC(=O)CC[NH2+][C@@H]2CCCN(c3cccnn3)C2)no1 c1cnnc(c1)[*:1] Cc1cc(no1)NC(=O)CC[NH2+][C@@H]1CCCN(C1)[*:1]
Cc1cc(NC(=O)CC[NH2+][C@@H]2CCCN(c3cccnn3)C2)no1 Cc1cc(no1)[*:1] O=C(CC[NH2+][C@@H]1CCCN(C1)c1cccnn1)N[*:1]
C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1C[*:1]
C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@H]1[*:1]
C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1Cn1cccn1 Fc1ccc(cc1)C[*:1] C[C@H](C(=O)N1CCCC[C@@H]1Cn1cccn1)[*:1]
C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1Cn1cccn1 Fc1ccc(cc1)[*:1] C[C@H](C[*:1])C(=O)N1CCCC[C@@H]1Cn1cccn1
C[C@H](Oc1ccccc1)C(=O)Nc1c(C(=O)N2CC[NH+](C)CC2)oc2ccccc12 C[C@H](Oc1ccccc1)[*:1] C[NH+]1CCN(CC1)C(=O)c1oc2ccccc2c1NC(=O)[*:1]
C[C@H](Oc1ccccc1)C(=O)Nc1c(C(=O)N2CC[NH+](C)CC2)oc2ccccc12 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1c(oc2ccccc12)C(=O)N1CC[NH+](C)CC1
C[C@H](Oc1ccccc1)C(=O)Nc1c(C(=O)N2CC[NH+](C)CC2)oc2ccccc12 c1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1c(oc2ccccc12)C(=O)N1CC[NH+](C)CC1)[*:1]
O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1C[C@H]1CCCO1 Fc1ccc(cc1F)C[*:1] O=c1c2ccccc2nc(S[*:1])n1C[C@H]1CCCO1
O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1C[C@H]1CCCO1 Fc1ccc(cc1F)[*:1] O=c1c2ccccc2nc(SC[*:1])n1C[C@H]1CCCO1
CC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C CC(=O)[*:1] CC1=N[C@]2([C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1)[*:1]
CCCc1nn(C)c2c1nc(CCl)n2[C@@H]1C[C@H]1C CCC[*:1] C[C@@H]1C[C@H]1n1c(CCl)nc2c(nn(C)c21)[*:1]
CC(=O)N[C@H](C(=O)NCc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1 CC(C)c1ccc(cc1)[*:1] CC(=O)N[C@H](C(=O)NCc1ccccc1)C(=O)N[*:1]
CC(=O)N[C@H](C(=O)NCc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1 CC(C)[*:1] CC(=O)N[C@H](C(=O)NCc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)N[C@H](C(=O)NCc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1 c1ccc(cc1)C[*:1] CC(=O)N[C@@H](C(=O)Nc1ccc(cc1)C(C)C)C(=O)N[*:1]
CC(=O)N[C@H](C(=O)NCc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1 CC(=O)N[*:1] CC(C)c1ccc(cc1)NC(=O)[C@@H](C(=O)NCc1ccccc1)[*:1]
CC(=O)N[C@H](C(=O)NCc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1 c1ccc(cc1)[*:1] CC(=O)N[C@H](C(=O)NC[*:1])C(=O)Nc1ccc(cc1)C(C)C
Cn1cnnc1S[C@H](C(=O)NCc1ccccc1)c1ccccc1 Cn1cnnc1S[*:1] O=C(NCc1ccccc1)[C@H](c1ccccc1)[*:1]
Cn1cnnc1S[C@H](C(=O)NCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cn1cnnc1S[C@H](C(=O)NC[*:1])c1ccccc1
Cn1cnnc1S[C@H](C(=O)NCc1ccccc1)c1ccccc1 Cn1cnnc1[*:1] O=C(NCc1ccccc1)[C@@H](S[*:1])c1ccccc1
Cn1cnnc1S[C@H](C(=O)NCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cn1cnnc1S[C@H](C(=O)NCc1ccccc1)[*:1]
Cn1cnnc1S[C@H](C(=O)NCc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] Cn1cnnc1S[C@H](C(=O)N[*:1])c1ccccc1
COc1ccc(N2C(=S)S[C@@H](c3nc4ccccc4[nH]3)[C@H]2N)cc1 COc1ccc(cc1)[*:1] N[C@@H]1[C@@H](SC(=S)N1[*:1])c1nc2ccccc2[nH]1
Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2cccc(Cl)c2C)c1C1CC[NH2+]CC1 Cc1c(Cl)cccc1[*:1] Cc1ccc(Cl)cc1NC(=O)c1cnn(c1C1CC[NH2+]CC1)[*:1]
Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2cccc(Cl)c2C)c1C1CC[NH2+]CC1 Cc1ccc(Cl)cc1[*:1] Cc1c(Cl)cccc1-n1ncc(C(=O)N[*:1])c1C1CC[NH2+]CC1
C/C(=C\c1ccc(F)cc1)C(=O)O[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C Fc1ccc(cc1)[*:1] CC(=C[*:1])C(=O)O[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
CC(C)Oc1ccccc1C[S@](=O)[C@H](C)c1ccc(F)c(F)c1 CC(C)[*:1] C[C@H](c1ccc(F)c(F)c1)[S@@](=O)Cc1ccccc1O[*:1]
CC(C)Oc1ccccc1C[S@](=O)[C@H](C)c1ccc(F)c(F)c1 CC(C)O[*:1] C[C@H](c1ccc(F)c(F)c1)[S@@](=O)Cc1ccccc1[*:1]
COC(=O)c1ccc(NC(=O)CSc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COC(=O)c1ccc(cc1)NC(=O)CS[*:1]
COC(=O)c1ccc(NC(=O)CSc2ccccc2Cl)cc1 COC(=O)[*:1] O=C(CSc1ccccc1Cl)Nc1ccc(cc1)[*:1]
O=C1CC[C@@H](NC(=O)CCOC2CCOCC2)CN1 C1CC(CCO1)[*:1] O=C1CC[C@H](CN1)NC(=O)CCO[*:1]
CCOc1ccccc1NC(=O)n1ncc2cc(Cl)ccc21 CCO[*:1] O=C(Nc1ccccc1[*:1])n1ncc2cc(Cl)ccc21
O=C(NCCC(F)(F)F)N[C@H]1c2ccccc2C[C@H]1O FC(F)(F)[*:1] O=C(NCC[*:1])N[C@H]1c2ccccc2C[C@H]1O
O=C(NCCC(F)(F)F)N[C@H]1c2ccccc2C[C@H]1O FC(F)(F)C[*:1] O=C(NC[*:1])N[C@H]1c2ccccc2C[C@H]1O
O=C(NCCC(F)(F)F)N[C@H]1c2ccccc2C[C@H]1O FC(F)(F)CC[*:1] O=C(N[C@H]1c2ccccc2C[C@H]1O)N[*:1]
CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)CC1 c1csc(n1)[*:1] CCC[NH+]1CCC(CC1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)Cc1noc(-c2ccnc(OC3CCC3)c2)n1 CC(C)[*:1] c1cc(cc(n1)OC1CCC1)-c1nc(C[*:1])no1
CC(C)Cc1noc(-c2ccnc(OC3CCC3)c2)n1 C1CC(C1)O[*:1] CC(C)Cc1noc(n1)-c1ccnc(c1)[*:1]
CC(C)Cc1noc(-c2ccnc(OC3CCC3)c2)n1 CC(C)C[*:1] c1cc(cc(n1)OC1CCC1)-c1nc(no1)[*:1]
CC(C)Cc1noc(-c2ccnc(OC3CCC3)c2)n1 C1CC(C1)[*:1] CC(C)Cc1noc(n1)-c1ccnc(c1)O[*:1]
CN(CCc1ccccc1)c1cnn(CC(=O)Nc2ccnn2C)c(=O)c1 c1ccc(cc1)CC[*:1] CN(c1cnn(CC(=O)Nc2ccnn2C)c(=O)c1)[*:1]
CN(CCc1ccccc1)c1cnn(CC(=O)Nc2ccnn2C)c(=O)c1 c1ccc(cc1)[*:1] CN(CC[*:1])c1cnn(CC(=O)Nc2ccnn2C)c(=O)c1
CN(CCc1ccccc1)c1cnn(CC(=O)Nc2ccnn2C)c(=O)c1 Cn1nccc1[*:1] CN(CCc1ccccc1)c1cnn(CC(=O)N[*:1])c(=O)c1
CN(CCc1ccccc1)c1cnn(CC(=O)Nc2ccnn2C)c(=O)c1 c1ccc(cc1)C[*:1] CN(C[*:1])c1cnn(CC(=O)Nc2ccnn2C)c(=O)c1
CN(CCc1ccccc1)c1cnn(CC(=O)Nc2ccnn2C)c(=O)c1 Cn1nccc1NC(=O)[*:1] CN(CCc1ccccc1)c1cnn(C[*:1])c(=O)c1
COc1ccc([C@H](C)NC(=O)NC[C@H](O)c2ccccc2F)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)NC[C@H](O)[*:1]
CCC(CC)CNc1cc(OC)ccc1F CCC(CC)[*:1] COc1ccc(F)c(c1)NC[*:1]
Cc1cc(CNC(=O)CCNC(=O)c2ccccc2C)c(C)o1 Cc1ccccc1[*:1] Cc1cc(CNC(=O)CCNC(=O)[*:1])c(C)o1
Cc1cc(CNC(=O)CCNC(=O)c2ccccc2C)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1ccccc1C(=O)NCCC(=O)NC[*:1]
O=C(C[NH+]1CCC(C(=O)[O-])CC1)Nc1ccccc1Oc1ccccc1 O=C([O-])[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1ccccc1Oc1ccccc1
O=C(C[NH+]1CCC(C(=O)[O-])CC1)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(C[NH+]1CCC(CC1)C(=O)[O-])Nc1ccccc1[*:1]
O=C(C[NH+]1CCC(C(=O)[O-])CC1)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)[O-])Nc1ccccc1O[*:1]
C=CCNC(=O)CN1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 C=CCNC(=O)[*:1] C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCN(CC1)C[*:1]
C=CCNC(=O)CN1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 C=CCNC(=O)C[*:1] C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCN(CC1)[*:1]
C=CCNC(=O)CN1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 C=CC[*:1] C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCN(CC1)CC(=O)N[*:1]
COc1cccc(/C=C2/Oc3cc(OCC(=O)Nc4cc(C)ccc4OC)ccc3C2=O)c1 COc1ccc(C)cc1[*:1] COc1cccc(/C=C2/Oc3cc(ccc3C2=O)OCC(=O)N[*:1])c1
COc1cccc(/C=C2/Oc3cc(OCC(=O)Nc4cc(C)ccc4OC)ccc3C2=O)c1 COc1cccc(c1)[*:1] COc1ccc(C)cc1NC(=O)COc1ccc2C(=O)C(=C[*:1])Oc2c1
Cn1cnnc1-c1cccc(N[C@@H]2CC[C@@H]([NH3+])C2)c1 Cn1cnnc1[*:1] [NH3+][C@@H]1CC[C@H](C1)Nc1cccc(c1)[*:1]
CC(C)c1ncc(Cl)c(C(=O)N2CCN(C)C[C@@H]2C)n1 CC(C)[*:1] C[C@H]1CN(C)CCN1C(=O)c1nc(ncc1Cl)[*:1]
CCOC(=O)c1cs/c(=N\C(=O)c2cc(-c3ccc(Br)s3)[nH]n2)[nH]1 CCOC(=O)[*:1] O=C(/N=c1/[nH]c(cs1)[*:1])c1cc([nH]n1)-c1ccc(Br)s1
CCOC(=O)c1cs/c(=N\C(=O)c2cc(-c3ccc(Br)s3)[nH]n2)[nH]1 Brc1ccc(s1)[*:1] CCOC(=O)c1cs/c(=N\C(=O)c2cc([nH]n2)[*:1])[nH]1
Cc1ccccc1NC(=O)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl Cc1ccccc1[*:1] N#C[C@H](C(=O)C(=O)N[*:1])c1c(Cl)cccc1Cl
C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1cccc(c1)[*:1]
CCn1c(N2CCC[C@H](C(=O)NCCOC)C2)nc2ccccc21 COCC[*:1] CCn1c(nc2ccccc21)N1CCC[C@@H](C1)C(=O)N[*:1]
CCn1c(N2CCC[C@H](C(=O)NCCOC)C2)nc2ccccc21 COCCNC(=O)[*:1] CCn1c(nc2ccccc21)N1CCC[C@H](C1)[*:1]
CCn1c(N2CCC[C@H](C(=O)NCCOC)C2)nc2ccccc21 COC[*:1] CCn1c(nc2ccccc21)N1CCC[C@@H](C1)C(=O)NC[*:1]
CCc1nc2c(N3CC[C@@]4(CCCN(CC5CCC5)C4=O)C3)ncnc2o1 C1CC(C1)C[*:1] CCc1nc2c(ncnc2o1)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
CCc1nc2c(N3CC[C@@]4(CCCN(CC5CCC5)C4=O)C3)ncnc2o1 C1CC(C1)[*:1] CCc1nc2c(ncnc2o1)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
COc1cccc(N2CCN(C(=O)Nc3cc(F)ccc3OC)CC2)c1 COc1cccc(c1)[*:1] COc1ccc(F)cc1NC(=O)N1CCN(CC1)[*:1]
COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)NC(C)C O=[N+]([O-])[*:1] COc1ccc(cc1S(=O)(=O)NC(C)C)C(=O)Nc1cc(ccc1C)[*:1]
COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)NC(C)C CC(C)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)Nc1cc(ccc1C)[N+](=O)[O-]
COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)NC(C)C CC(C)NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cc(ccc1C)[N+](=O)[O-]
Cc1oc(NC(=O)[C@H](C)N2CC[NH+](C(C)C)CC2)c(C#N)c1C CC(C)[*:1] Cc1oc(NC(=O)[C@H](C)N2CC[NH+](CC2)[*:1])c(C#N)c1C
O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 Fc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-n1cccn1
O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 c1cnn(c1)[*:1] O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
CCCCOC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2=O CCCC[*:1] C[C@@H](Oc1ccc2C(=O)CCCc2c1)C(=O)O[*:1]
CCCCOC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2=O CCC[*:1] C[C@@H](Oc1ccc2C(=O)CCCc2c1)C(=O)OC[*:1]
CCCCOC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2=O CCCCOC(=O)[*:1] C[C@@H](Oc1ccc2C(=O)CCCc2c1)[*:1]
COCCOc1cc(NC(=O)N2CCC[C@H](C)C2)ccc1OC COC[*:1] COc1ccc(cc1OC[*:1])NC(=O)N1CCC[C@H](C)C1
COCCOc1cc(NC(=O)N2CCC[C@H](C)C2)ccc1OC COCCO[*:1] COc1ccc(cc1[*:1])NC(=O)N1CCC[C@H](C)C1
COCCOc1cc(NC(=O)N2CCC[C@H](C)C2)ccc1OC COCC[*:1] COc1ccc(cc1O[*:1])NC(=O)N1CCC[C@H](C)C1
O=C1c2ccccc2CC[C@@H]1C[C@@H](O)C(F)(F)F FC(F)(F)[*:1] O=C1c2ccccc2CC[C@@H]1C[C@@H](O)[*:1]
O=C1c2ccccc2CC[C@@H]1C[C@@H](O)C(F)(F)F O[C@@H](C(F)(F)F)[*:1] O=C1c2ccccc2CC[C@@H]1C[*:1]
Cc1ccc(C2=NCC(=O)N(CC(=O)N3CCCCC3)c3sc4c(c32)CCC4)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)C1=NCC(=O)N(C[*:1])c2sc3CCCc3c21
Cc1ccc(C2=NCC(=O)N(CC(=O)N3CCCCC3)c3sc4c(c32)CCC4)cc1 Cc1ccc(cc1)[*:1] O=C(CN1C(=O)CN=C(c2c1sc1CCCc12)[*:1])N1CCCCC1
Cc1ccc(C2=NCC(=O)N(CC(=O)N3CCCCC3)c3sc4c(c32)CCC4)cc1 O=C(C[*:1])N1CCCCC1 Cc1ccc(cc1)C1=NCC(=O)N(c2sc3CCCc3c21)[*:1]
COc1ccc(CCNC(=O)c2c[nH]c3c(c(C)nn3-c3ccccc3)c2=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CCNC(=O)c1c[nH]c2c(c(C)nn2[*:1])c1=O
COc1ccc(CCNC(=O)c2c[nH]c3c(c(C)nn3-c3ccccc3)c2=O)cc1OC COc1ccc(cc1OC)[*:1] Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)NCC[*:1])c(=O)c12
Cc1cc(Br)cc([N+](=O)[O-])c1OCCC[C@@](C)([NH3+])C(=O)[O-] O=[N+]([O-])[*:1] Cc1cc(Br)cc(c1OCCC[C@@](C)([NH3+])C(=O)[O-])[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)CC2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cc([nH]n1)-c1ccccn1
Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)CC2)c(Br)c1 c1ccc(nc1)[*:1] Cc1ccc(NC(=O)C2CCN(CC2)C(=O)c2cc([nH]n2)[*:1])c(Br)c1
CN(CCc1cccs1)C(=O)c1ccc(-n2ccnn2)cc1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)c1ccc(cc1)-n1ccnn1
CN(CCc1cccs1)C(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CN(CCc1cccs1)C(=O)c1ccc(cc1)[*:1]
CN(CCc1cccs1)C(=O)c1ccc(-n2ccnn2)cc1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)-n1ccnn1
CN(CCc1cccs1)C(=O)c1ccc(-n2ccnn2)cc1 c1csc(c1)CC[*:1] CN(C(=O)c1ccc(cc1)-n1ccnn1)[*:1]
NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] NC(=O)c1c(csc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@H]1[*:1])-c1ccc(Cl)cc1
NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] NC(=O)[*:1] O=C(Nc1scc(-c2ccc(Cl)cc2)c1[*:1])[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]
NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] Clc1ccc(cc1)[*:1] NC(=O)c1c(csc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])[*:1]
COC(=O)c1ccc(C)c(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)c1ccccc1[*:1]
COC(=O)c1ccc(C)c(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)[*:1]
CCOc1ccccc1/C=C1\CCn2c1nc1sc(C)c(C)c1c2=O CCO[*:1] Cc1sc2nc3/C(=C/c4ccccc4[*:1])CCn3c(=O)c2c1C
Cc1ccc(C)c(Cn2c(C[NH+](C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)Cn1c(C[NH+](C)[*:1])nc2c1c(=O)n(C)c(=O)n2C
Cc1ccc(C)c(Cn2c(C[NH+](C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 Cc1ccc(C)c(c1)C[*:1] Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2[*:1])n(C)c1=O
Cc1ccc(C)c(Cn2c(C[NH+](C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)Cn1c(C[NH+](C)C[*:1])nc2c1c(=O)n(C)c(=O)n2C
Cc1ccc(C)c(Cn2c(C[NH+](C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 Cc1ccc(C)c(c1)[*:1] Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2C[*:1])n(C)c1=O
CC[C@](C)(C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)C[C@@H]1c1ccccc1 FC(F)(F)[*:1] CC[C@](C)(C(=O)NCc1ccc(cc1)[*:1])N1C(=O)C[C@@H]1c1ccccc1
CC[C@](C)(C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@](C)(C(=O)NCc1ccc(cc1)C(F)(F)F)N1C(=O)C[C@H]1[*:1]
CCOc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 CCO[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(cc1)[*:1])C2=O
C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1cccc(F)c1)N(C)C CN(C)[*:1] C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1cccc(F)c1)[*:1]
C[C@H]1CCC[C@@H]([NH+]2CCN(C(=O)C(C)(C)C)CC2)C1 CC(C)(C)[*:1] C[C@H]1CCC[C@H](C1)[NH+]1CCN(CC1)C(=O)[*:1]
COc1ccc2oc(C)c(C(=O)NCCN3CCOCC3)c2c1 C1CN(CCO1)C[*:1] COc1ccc2oc(C)c(C(=O)NC[*:1])c2c1
COc1ccc2oc(C)c(C(=O)NCCN3CCOCC3)c2c1 C1CN(CCO1)[*:1] COc1ccc2oc(C)c(C(=O)NCC[*:1])c2c1
CC(C)=CC(=O)Nc1cc([N+](=O)[O-])ccc1C CC(C)=C[*:1] Cc1ccc(cc1NC(=O)[*:1])[N+](=O)[O-]
CC(C)=CC(=O)Nc1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CC(C)=CC(=O)Nc1cc(ccc1C)[*:1]
CCC[C@@H](O)Cc1c(F)cccc1F CCC[*:1] O[C@@H](Cc1c(F)cccc1F)[*:1]
CCOC(=O)[C@@H](C(C)=O)c1ccccc1[N+](=O)[O-] CC(=O)[*:1] CCOC(=O)[C@@H](c1ccccc1[N+](=O)[O-])[*:1]
CCOC(=O)[C@@H](C(C)=O)c1ccccc1[N+](=O)[O-] CCOC(=O)[*:1] CC(=O)[C@@H](c1ccccc1[N+](=O)[O-])[*:1]
CCOC(=O)[C@@H](C(C)=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOC(=O)[C@@H](C(C)=O)c1ccccc1[*:1]
[NH3+][C@H](C(=O)[O-])c1ccc(Cl)c(OC(F)(F)F)c1 FC(F)(F)[*:1] [NH3+][C@H](C(=O)[O-])c1ccc(Cl)c(c1)O[*:1]
[NH3+][C@H](C(=O)[O-])c1ccc(Cl)c(OC(F)(F)F)c1 FC(F)(F)O[*:1] [NH3+][C@H](C(=O)[O-])c1ccc(Cl)c(c1)[*:1]
[NH3+][C@H](C(=O)[O-])c1ccc(Cl)c(OC(F)(F)F)c1 O=C([O-])[*:1] [NH3+][C@H](c1ccc(Cl)c(c1)OC(F)(F)F)[*:1]
CN(CCC[NH+](C)C)C(=O)c1csc(C#CCN)c1 NCC#C[*:1] CN(CCC[NH+](C)C)C(=O)c1csc(c1)[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)CCc1ccccn1 CCC[*:1] CN(CCc1ccccn1)C(=O)N[C@H]1CCC[C@@H]1C[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)CCc1ccccn1 c1ccc(C[*:1])nc1 CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)C[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)CCc1ccccn1 CCCC[*:1] CN(CCc1ccccn1)C(=O)N[C@H]1CCC[C@@H]1[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)CCc1ccccn1 c1ccc(nc1)[*:1] CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)CC[*:1]
COc1ccccc1CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccnc1)C3=O COc1ccccc1[*:1] Cc1cc2OCN(CC[*:1])Cc2c2O/C(=C\c3cccnc3)C(=O)c12
COc1ccccc1CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccnc1)C3=O COc1ccccc1CC[*:1] Cc1cc2OCN(Cc2c2O/C(=C\c3cccnc3)C(=O)c12)[*:1]
COc1ccccc1CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccnc1)C3=O c1cncc(c1)[*:1] COc1ccccc1CCN1COc2cc(C)c3C(=O)C(=C[*:1])Oc3c2C1
COc1ccccc1CCN1COc2cc(C)c3c(c2C1)O/C(=C\c1cccnc1)C3=O COc1ccccc1C[*:1] Cc1cc2OCN(Cc2c2O/C(=C\c3cccnc3)C(=O)c12)C[*:1]
O=C(c1cc(-c2cccs2)n[nH]1)N1CC[C@H]2CCCC[C@H]21 c1csc(c1)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CC[C@H]2CCCC[C@H]21
CCNC(=O)N1CCN(CC(=O)N(CC)C2CCCCC2)CC1 C1CCC(CC1)[*:1] CCNC(=O)N1CCN(CC1)CC(=O)N(CC)[*:1]
COCc1cccc(C(=O)N2CCSC[C@H]2c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] COCc1cccc(c1)C(=O)N1CCSC[C@@H]1[*:1]
COCc1cccc(C(=O)N2CCSC[C@H]2c2ccc(C)o2)c1 COC[*:1] Cc1ccc(o1)[C@@H]1CSCCN1C(=O)c1cccc(c1)[*:1]
CCNC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 CCNC(=O)N[*:1] C[C@@H](c1nc(no1)-c1ccc(Cl)cc1)[*:1]
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1 Brc1ccc(cc1)C[*:1] COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(cc1)O[*:1]
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1 COC(=O)[*:1] CC1Nc2nnnn2[C@H](C=1[*:1])c1ccc(cc1)OCc1ccc(Br)cc1
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(cc1)OC[*:1]
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1 Brc1ccc(cc1)CO[*:1] COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(cc1)[*:1]
O=C(OCc1nccn1Cc1ccccc1)C1(c2cccc(F)c2)CCC1 Fc1cccc(c1)[*:1] O=C(OCc1nccn1Cc1ccccc1)C1(CCC1)[*:1]
O=C(OCc1nccn1Cc1ccccc1)C1(c2cccc(F)c2)CCC1 c1ccc(cc1)C[*:1] O=C(OCc1nccn1[*:1])C1(CCC1)c1cccc(F)c1
O=C(OCc1nccn1Cc1ccccc1)C1(c2cccc(F)c2)CCC1 c1ccc(cc1)[*:1] O=C(OCc1nccn1C[*:1])C1(CCC1)c1cccc(F)c1
COc1cccc(C#CCOC(=O)c2cn(C)nc2C(C)(C)C)c1 CC(C)(C)[*:1] COc1cccc(C#CCOC(=O)c2cn(C)nc2[*:1])c1
COc1cccc(C#CCOC(=O)c2cn(C)nc2C(C)(C)C)c1 COc1cccc(c1)[*:1] Cn1cc(C(=O)OCC#C[*:1])c(n1)C(C)(C)C
COc1ccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)[C@H](C)N(S(C)(=O)=O)[*:1]
COc1ccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 COc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])N(c1ccccc1)S(C)(=O)=O
COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 COCCC[*:1] Cc1cc(C)c2oc3C(=O)N([C@H](c4cccc(Cl)c4)c3c(=O)c2c1)[*:1]
COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 COCC[*:1] Cc1cc(C)c2oc3C(=O)N(C[*:1])[C@H](c4cccc(Cl)c4)c3c(=O)c2c1
COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 COC[*:1] Cc1cc(C)c2oc3C(=O)N(CC[*:1])[C@H](c4cccc(Cl)c4)c3c(=O)c2c1
COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)C1=NN[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 c1ccc(cc1)C[*:1] O=C(CN1C(=O)c2ccccc2C1=O)C1=NN[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)C1=NN[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 c1ccc(cc1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)C1=NN[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
COc1cc(CNCCc2cn3ccccc3[nH+]2)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(cc(c1O)[*:1])CNCCc1cn2ccccc2[nH+]1
O=C(NCC1CCOCC1)c1cc(COc2ccc(-n3cncn3)cc2)on1 C1CC(CCO1)[*:1] O=C(NC[*:1])c1cc(COc2ccc(cc2)-n2cncn2)on1
O=C(NCC1CCOCC1)c1cc(COc2ccc(-n3cncn3)cc2)on1 C1CC(CCO1)C[*:1] O=C(N[*:1])c1cc(COc2ccc(cc2)-n2cncn2)on1
O=C(NCC1CCOCC1)c1cc(COc2ccc(-n3cncn3)cc2)on1 c1ncn(n1)[*:1] O=C(NCC1CCOCC1)c1cc(COc2ccc(cc2)[*:1])on1
COc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccccc5F)CC4)sc3n2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1F)C1CCN(CC1)c1nn2cc(nc2s1)[*:1]
COc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccccc5F)CC4)sc3n2)cc1 O=C(Nc1ccccc1F)[*:1] COc1ccc(cc1)-c1cn2nc(sc2n1)N1CCC(CC1)[*:1]
COc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccccc5F)CC4)sc3n2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-c1cn2nc(sc2n1)N1CCC(CC1)C(=O)N[*:1]
CCC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2c(C)cccc2CC)cc1 CCC(=O)N[*:1] CCc1cccc(C)c1NC(=O)[C@H](C)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 CC(=O)N[*:1] C[C@](C#N)(NC(=O)COC(=O)c1ccc(cc1)[*:1])C1CC1
CC(=O)Nc1ccc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 C1CC1[*:1] CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N[C@](C)(C#N)[*:1]
N#C[C@@H](C(N)=O)c1ccccc1 NC(=O)[*:1] N#C[C@@H](c1ccccc1)[*:1]
Cc1cccc(CNc2ccc([N+](=O)[O-])c(N)n2)n1 O=[N+]([O-])[*:1] Cc1cccc(CNc2ccc(c(N)n2)[*:1])n1
C[C@H](O)CNC(=O)C1c2ccccc2Oc2ccccc21 C[C@H](O)[*:1] O=C(NC[*:1])C1c2ccccc2Oc2ccccc21
C[C@H](O)CNC(=O)C1c2ccccc2Oc2ccccc21 C[C@H](O)CNC(=O)[*:1] c1ccc2c(c1)Oc1ccccc1C2[*:1]
C[C@H](O)CNC(=O)C1c2ccccc2Oc2ccccc21 C[C@H](O)C[*:1] O=C(N[*:1])C1c2ccccc2Oc2ccccc21
Cc1nc(N2CCCC2)nc2c1C(=O)CC(C)(C)C2 C1CCN(C1)[*:1] Cc1nc(nc2CC(C)(C)CC(=O)c12)[*:1]
Cc1nc2c(s1)[C@H](NCc1cccc(OCC(F)F)n1)CCC2 FC(F)[*:1] Cc1nc2CCC[C@@H](NCc3cccc(n3)OC[*:1])c2s1
Cc1nc2c(s1)[C@H](NCc1cccc(OCC(F)F)n1)CCC2 FC(F)C[*:1] Cc1nc2CCC[C@@H](NCc3cccc(n3)O[*:1])c2s1
Cc1nc2c(s1)[C@H](NCc1cccc(OCC(F)F)n1)CCC2 FC(F)CO[*:1] Cc1nc2CCC[C@@H](NCc3cccc(n3)[*:1])c2s1
O=C(NCc1nncn1C1CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 C1CC1[*:1] O=C(NCc1nncn1[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
CCC[C@H]1C[C@H]1N/C(N[C@@H]1CCS(=O)(=O)C1)=[NH+]\CC CCC[*:1] CC/[NH+]=C(/N[C@@H]1CCS(=O)(=O)C1)N[C@@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@H]1N/C(N[C@@H]1CCS(=O)(=O)C1)=[NH+]\CC CCC[C@H]1C[C@@H]1[*:1] CC/[NH+]=C(/N[C@@H]1CCS(=O)(=O)C1)N[*:1]
C[C@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]CCCc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)CC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1nc2sccn2c1C[NH2+]C[*:1]
C[C@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]CCCc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1nc2sccn2c1C[NH2+][*:1]
C[C@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]CCCc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)C[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1nc2sccn2c1C[NH2+]CC[*:1]
C[C@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]CCCc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1nc2sccn2c1C[NH2+]CCC[*:1]
Cc1ccn(-c2ccc(NC3CC[NH+](Cc4ccc(F)cc4)CC3)nn2)n1 Fc1ccc(cc1)C[*:1] Cc1ccn(n1)-c1ccc(nn1)NC1CC[NH+](CC1)[*:1]
Cc1ccn(-c2ccc(NC3CC[NH+](Cc4ccc(F)cc4)CC3)nn2)n1 Cc1ccn(n1)[*:1] Fc1ccc(cc1)C[NH+]1CCC(CC1)Nc1ccc(nn1)[*:1]
Cc1ccn(-c2ccc(NC3CC[NH+](Cc4ccc(F)cc4)CC3)nn2)n1 Fc1ccc(cc1)[*:1] Cc1ccn(n1)-c1ccc(nn1)NC1CC[NH+](CC1)C[*:1]
CN(C)c1nc2nonc2nc1NCC1=CC=C[C@H]2N=CC=C12 CN(C)[*:1] C1=C[C@H]2N=CC=C2C(=C1)CNc1nc2nonc2nc1[*:1]
COc1ccc2[nH]cc(CC(=O)N3CCC[C@H](CCC(N)=O)C3)c2c1 NC(=O)[*:1] COc1ccc2[nH]cc(CC(=O)N3CCC[C@H](CC[*:1])C3)c2c1
COc1ccc2[nH]cc(CC(=O)N3CCC[C@H](CCC(N)=O)C3)c2c1 NC(=O)CC[*:1] COc1ccc2[nH]cc(CC(=O)N3CCC[C@H](C3)[*:1])c2c1
COc1ccc2[nH]cc(CC(=O)N3CCC[C@H](CCC(N)=O)C3)c2c1 NC(=O)C[*:1] COc1ccc2[nH]cc(CC(=O)N3CCC[C@@H](C3)C[*:1])c2c1
CNC(=O)C[NH+](C)Cc1cc(Cl)cc(Cl)c1 CNC(=O)C[*:1] C[NH+](Cc1cc(Cl)cc(Cl)c1)[*:1]
CNC(=O)C[NH+](C)Cc1cc(Cl)cc(Cl)c1 CNC(=O)[*:1] C[NH+](Cc1cc(Cl)cc(Cl)c1)C[*:1]
O=C(C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)Nc1ccccc1Cl Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)c1nc(cs1)[*:1])Nc1ccccc1Cl
O=C(C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1)N[*:1]
COc1ccc(CCN2CCO[C@H](C(N)=S)C2)cc1 NC(=S)[*:1] COc1ccc(cc1)CCN1CCO[C@H](C1)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O Clc1ccc(s1)[*:1] CN(C[*:1])C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O
CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O Clc1ccc(C[*:1])s1 CN(C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O c1ccc2c(c[nH]c2c1)[*:1] CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@H](C[*:1])C1=O
CC[C@H](NC(=O)N1CCC1)c1ccccc1OC(F)F FC(F)O[*:1] CC[C@H](NC(=O)N1CCC1)c1ccccc1[*:1]
CC[C@H](NC(=O)N1CCC1)c1ccccc1OC(F)F FC(F)[*:1] CC[C@H](NC(=O)N1CCC1)c1ccccc1O[*:1]
O=S(=O)(C[C@H]1CCOC1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] O=S(=O)(C[C@H]1CCOC1)N[C@@H](c1cccc(c1)[*:1])C1CC1
O=S(=O)(C[C@H]1CCOC1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1C[C@@H](CO1)[*:1] O=S(=O)(C[*:1])N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1
O=S(=O)(C[C@H]1CCOC1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] O=S(=O)(C[C@H]1CCOC1)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
O=C(CCc1c[nH]c2ccccc12)N1CCc2ncc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] O=C(CCc1c[nH]c2ccccc12)N1CCc2ncc(cc2C1)[*:1]
O=C(Nc1ccc(Oc2cnccn2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 c1cnc(cn1)[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@@H]1C[C@@H]1c1ccc(F)cc1
O=C(Nc1ccc(Oc2cnccn2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)Oc1cnccn1)[C@@H]1C[C@H]1[*:1]
O=C(Nc1ccc(Oc2cnccn2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 c1cnc(cn1)O[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1C[C@@H]1c1ccc(F)cc1
CC(C)[C@@H](Sc1ncn[nH]1)C(=O)NC1CCCC1 CC(C)[*:1] O=C(NC1CCCC1)[C@H](Sc1ncn[nH]1)[*:1]
CC(C)[C@@H](Sc1ncn[nH]1)C(=O)NC1CCCC1 c1n[nH]c(n1)[*:1] CC(C)[C@@H](S[*:1])C(=O)NC1CCCC1
CC(C)[C@@H](Sc1ncn[nH]1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CC(C)[C@@H](Sc1ncn[nH]1)C(=O)N[*:1]
CC(C)[C@@H](Sc1ncn[nH]1)C(=O)NC1CCCC1 c1n[nH]c(n1)S[*:1] CC(C)[C@@H](C(=O)NC1CCCC1)[*:1]
CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C CC(C)(C)[*:1] CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1[*:1]
CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C CCS(=O)(=O)[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C
CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C CCS(=O)(=O)C[*:1] C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)[*:1]
NS(=O)(=O)CC1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 Clc1ccc(cc1)[*:1] NS(=O)(=O)CC1CC[NH+](CC1)Cc1ncc(o1)[*:1]
NS(=O)(=O)CC1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 NS(=O)(=O)C[*:1] Clc1ccc(cc1)-c1cnc(C[NH+]2CCC(CC2)[*:1])o1
NS(=O)(=O)CC1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 NS(=O)(=O)[*:1] Clc1ccc(cc1)-c1cnc(C[NH+]2CCC(CC2)C[*:1])o1
Cc1ccc(/C=C/C(=O)c2cc3c([nH]c2=O)CCCC3)cc1 Cc1ccc(cc1)[*:1] O=C(C=C[*:1])c1cc2CCCCc2[nH]c1=O
CCCN(C(=O)C[C@@H](C)COC)[C@@H]1CC[NH2+]C1 CCC[*:1] COC[C@H](C)CC(=O)N([C@@H]1CC[NH2+]C1)[*:1]
CCCN(C(=O)C[C@@H](C)COC)[C@@H]1CC[NH2+]C1 COC[*:1] CCCN(C(=O)C[C@@H](C)[*:1])[C@@H]1CC[NH2+]C1
CCCN(C(=O)C[C@@H](C)COC)[C@@H]1CC[NH2+]C1 COC[C@H](C)[*:1] CCCN(C(=O)C[*:1])[C@@H]1CC[NH2+]C1
CS[C@@H](C)C(=O)OCc1nnc(C2CC2)n1C CS[C@@H](C)[*:1] Cn1c(COC(=O)[*:1])nnc1C1CC1
CS[C@@H](C)C(=O)OCc1nnc(C2CC2)n1C C1CC1[*:1] CS[C@@H](C)C(=O)OCc1nnc(n1C)[*:1]
CCc1ccc([C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)C(C)C)cc1 CCc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]c1=O)[*:1]
CCc1ccc([C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@@H](NC(=O)c1cc2ccccc2[nH]c1=O)[*:1]
CN(CCC#N)CC(=O)NC[C@@H]1Cc2ccccc2O1 CN(CCC#N)[*:1] O=C(C[*:1])NC[C@@H]1Cc2ccccc2O1
CN(CCC#N)CC(=O)NC[C@@H]1Cc2ccccc2O1 N#CCC[*:1] CN(CC(=O)NC[C@@H]1Cc2ccccc2O1)[*:1]
CN(CCC#N)CC(=O)NC[C@@H]1Cc2ccccc2O1 N#CC[*:1] CN(CC(=O)NC[C@@H]1Cc2ccccc2O1)C[*:1]
CS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)C1CCC1 CS(=O)(=O)C[*:1] O=C(NC[*:1])N[C@H](c1ccccc1)C1CCC1
CS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)C1CCC1 c1ccc(cc1)[*:1] CS(=O)(=O)CCNC(=O)N[C@H](C1CCC1)[*:1]
CS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)C1CCC1 CS(=O)(=O)CC[*:1] O=C(N[C@H](c1ccccc1)C1CCC1)N[*:1]
CS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)C1CCC1 C1CC(C1)[*:1] CS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)[*:1]
CS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)C1CCC1 CS(=O)(=O)[*:1] O=C(NCC[*:1])N[C@H](c1ccccc1)C1CCC1
COC[C@@H](O)C[C@@H]1CCOC2(CCSCC2)C1 COC[C@@H](O)[*:1] C1C[C@H](CC2(CCSCC2)O1)C[*:1]
COC[C@@H](O)C[C@@H]1CCOC2(CCSCC2)C1 COC[*:1] O[C@@H](C[C@@H]1CCOC2(CCSCC2)C1)[*:1]
N#Cc1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1 N#Cc1cccc(c1)[*:1] O=C(COc1ccc2cc(Br)ccc2c1)N[*:1]
C[C@H]1CCc2c(sc(NC(=O)c3cnn4c3N[C@@H](c3ccccc3)C[C@@H]4C(F)(F)F)c2C#N)C1 FC(F)(F)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1cnn3c1N[C@H](C[C@H]3[*:1])c1ccccc1)c2C#N
C[C@H]1CCc2c(sc(NC(=O)c3cnn4c3N[C@@H](c3ccccc3)C[C@@H]4C(F)(F)F)c2C#N)C1 c1ccc(cc1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1cnn3c1N[C@@H](C[C@@H]3C(F)(F)F)[*:1])c2C#N
COC(=O)C[C@@H](C)NC(=O)Nc1cccc(C)c1 COC(=O)C[*:1] Cc1cccc(c1)NC(=O)N[C@H](C)[*:1]
COC(=O)C[C@@H](C)NC(=O)Nc1cccc(C)c1 COC(=O)[*:1] Cc1cccc(c1)NC(=O)N[C@H](C)C[*:1]
Nc1cc(N)nc(SCC(=O)c2ccc(C3CCCCC3)cc2)n1 C1CCC(CC1)[*:1] Nc1cc(N)nc(n1)SCC(=O)c1ccc(cc1)[*:1]
Nc1cc(N)nc(SCC(=O)c2ccc(C3CCCCC3)cc2)n1 Nc1cc(N)nc(n1)[*:1] O=C(CS[*:1])c1ccc(cc1)C1CCCCC1
N#Cc1cccc(-c2ncnn2CC(=O)c2cccc(C(F)(F)F)c2)c1 N#Cc1cccc(c1)[*:1] O=C(Cn1ncnc1[*:1])c1cccc(c1)C(F)(F)F
N#Cc1cccc(-c2ncnn2CC(=O)c2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] N#Cc1cccc(c1)-c1ncnn1CC(=O)c1cccc(c1)[*:1]
NC(=S)c1cn[nH]c1NC(=O)c1ccsc1 NC(=S)[*:1] O=C(Nc1[nH]ncc1[*:1])c1ccsc1
NC(=S)c1cn[nH]c1NC(=O)c1ccsc1 c1cc(cs1)[*:1] NC(=S)c1cn[nH]c1NC(=O)[*:1]
Cn1cc([C@]2(C)CN(Cc3ccccc3-n3cccn3)CCO2)cn1 Cn1cc(cn1)[*:1] C[C@@]1(CN(CCO1)Cc1ccccc1-n1cccn1)[*:1]
Cn1cc([C@]2(C)CN(Cc3ccccc3-n3cccn3)CCO2)cn1 c1cnn(c1)[*:1] Cn1cc(cn1)[C@]1(C)CN(CCO1)Cc1ccccc1[*:1]
Cc1cccc2[nH+]c(CNc3ccccc3CCC(F)(F)F)cn12 FC(F)(F)C[*:1] Cc1cccc2[nH+]c(cn12)CNc1ccccc1C[*:1]
Cc1cccc2[nH+]c(CNc3ccccc3CCC(F)(F)F)cn12 FC(F)(F)CC[*:1] Cc1cccc2[nH+]c(cn12)CNc1ccccc1[*:1]
Cc1cccc2[nH+]c(CNc3ccccc3CCC(F)(F)F)cn12 FC(F)(F)[*:1] Cc1cccc2[nH+]c(cn12)CNc1ccccc1CC[*:1]
Cc1ccnc(NNC(=O)c2ccc(N3CCCC3=O)cc2)c1 O=C1CCCN1[*:1] Cc1ccnc(c1)NNC(=O)c1ccc(cc1)[*:1]
Cc1ccnc(NNC(=O)c2ccc(N3CCCC3=O)cc2)c1 Cc1ccnc(c1)[*:1] O=C(NN[*:1])c1ccc(cc1)N1CCCC1=O
C[C@@H]1CC[C@@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)O1 O=[N+]([O-])[*:1] C[C@@H]1CC[C@H](O1)C(=O)NCCc1cccc(c1)[*:1]
c1cnc2c(OCCN3CCOCC3)cccc2c1 C1CN(CCO1)[*:1] c1cnc2c(cccc2c1)OCC[*:1]
Cc1ccsc1[C@H](O)CNC(=O)c1cnc2ccccc2n1 Cc1ccsc1[*:1] O=C(NC[C@@H](O)[*:1])c1cnc2ccccc2n1
CCOCCOCc1cccc(NC(=O)N2C[C@H](C)CC[C@H]2C)c1C CCOC[*:1] Cc1c(cccc1NC(=O)N1C[C@H](C)CC[C@H]1C)COC[*:1]
CCOCCOCc1cccc(NC(=O)N2C[C@H](C)CC[C@H]2C)c1C CCOCCO[*:1] Cc1c(cccc1NC(=O)N1C[C@H](C)CC[C@H]1C)C[*:1]
CCOCCOCc1cccc(NC(=O)N2C[C@H](C)CC[C@H]2C)c1C CCO[*:1] Cc1c(cccc1NC(=O)N1C[C@H](C)CC[C@H]1C)COCC[*:1]
CCOCCOCc1cccc(NC(=O)N2C[C@H](C)CC[C@H]2C)c1C CCOCCOC[*:1] Cc1c(cccc1[*:1])NC(=O)N1C[C@H](C)CC[C@H]1C
CCOCCOCc1cccc(NC(=O)N2C[C@H](C)CC[C@H]2C)c1C CCOCC[*:1] Cc1c(cccc1NC(=O)N1C[C@H](C)CC[C@H]1C)CO[*:1]
Cc1ccccc1N1CCN(C(=O)CCN2Cc3ccccc3C2=O)CC1=O Cc1ccccc1[*:1] O=C(CCN1Cc2ccccc2C1=O)N1CCN(C(=O)C1)[*:1]
O=C(Nc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1)c1ccccc1 FC(F)(F)[*:1] O=C(Nc1nc(cs1)C(=O)N1CCN(CC1)c1cccc(c1)[*:1])c1ccccc1
O=C(Nc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1csc(n1)NC(=O)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C(Nc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(c1csc(n1)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C(Nc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1)c1ccccc1 FC(F)(F)c1cccc(c1)[*:1] O=C(Nc1nc(cs1)C(=O)N1CCN(CC1)[*:1])c1ccccc1
COc1ccc(C(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 COc1ccc(cc1)[*:1] Cc1nnc2sc(nn12)-c1ccc(cc1)CNC(=O)[*:1]
COc1ccc(C(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 Cc1nnc2sc(nn12)[*:1] COc1ccc(cc1)C(=O)NCc1ccc(cc1)[*:1]
Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] Cc1ccccc1[*:1] O=C([O-])c1cc(ccc1NS(=O)(=O)[*:1])N1CCOCC1
Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1S(=O)(=O)Nc1ccc(cc1[*:1])N1CCOCC1
Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] C1CN(CCO1)[*:1] Cc1ccccc1S(=O)(=O)Nc1ccc(cc1C(=O)[O-])[*:1]
CCCCOC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O CCC[*:1] Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)OC[*:1]
CCCCOC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O CCCC[*:1] Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)O[*:1]
O=C([O-])[C@H]1C[C@H](O)CN1C(=O)CS[C@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] O=C(CS[C@H]1CCS(=O)(=O)C1)N1C[C@@H](O)C[C@@H]1[*:1]
COCc1cccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)c1 CN(C)C(=O)[*:1] COCc1cccc(c1)C(=O)Nc1cc(ccc1C)[*:1]
COCc1cccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)c1 COC[*:1] Cc1ccc(cc1NC(=O)c1cccc(c1)[*:1])C(=O)N(C)C
O=C(O[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1Cn1cncn1 c1ncn(C[*:1])n1 O=C(O[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1[*:1]
O=C(O[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1Cn1cncn1 c1ncn(n1)[*:1] O=C(O[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1C[*:1]
C[C@H](C(N)=O)n1c(CCCl)nc2cccnc21 C[C@H](C(N)=O)[*:1] ClCCc1nc2cccnc2n1[*:1]
C[C@H](C(N)=O)n1c(CCCl)nc2cccnc21 ClCC[*:1] C[C@H](C(N)=O)n1c(nc2cccnc21)[*:1]
C[C@H](C(N)=O)n1c(CCCl)nc2cccnc21 NC(=O)[*:1] C[C@H](n1c(CCCl)nc2cccnc21)[*:1]
CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2cc(C)cc(C)c2)C(=O)N1 Cc1cc(C)cc(c1)[*:1] CCOC(=O)[C@@H]1CS[C@H](CC(=O)N[*:1])C(=O)N1
CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2cc(C)cc(C)c2)C(=O)N1 CCOC(=O)[*:1] Cc1cc(C)cc(c1)NC(=O)C[C@H]1SC[C@H](NC1=O)[*:1]
CC(C)(C(=O)Nc1cc(Br)ccc1Cl)n1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CC(C)(C(=O)Nc1cc(Br)ccc1Cl)n1cc(cn1)[*:1]
Cc1cc2c(c(=O)n1CC(C)C)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 CC(C)C[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c3ccc(Cl)c(Cl)c3)c2c(=O)n1[*:1]
Cc1cc2c(c(=O)n1CC(C)C)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 Clc1ccc(cc1Cl)[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c2c(=O)n1CC(C)C)[*:1]
Cc1cc2c(c(=O)n1CC(C)C)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 CC(C)[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c3ccc(Cl)c(Cl)c3)c2c(=O)n1C[*:1]
CS(=O)(=O)CC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O O=C([O-])[*:1] CS(=O)(=O)CC[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CS(=O)(=O)CC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O CS(=O)(=O)CC[*:1] O=C([O-])[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CS(=O)(=O)CC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O CS(=O)(=O)[*:1] O=C([O-])[C@H](CC[*:1])N1C(=O)c2ccccc2C1=O
CS(=O)(=O)CC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O CS(=O)(=O)C[*:1] O=C([O-])[C@H](C[*:1])N1C(=O)c2ccccc2C1=O
O=C(CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=[NH+]CCCN12)N1CCCCC1 O=C(N1CCCCC1)[*:1] Clc1ccc(cc1)-n1ncc2C3=[NH+]CCCN3C(=Nc21)SC[*:1]
O=C(CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=[NH+]CCCN12)N1CCCCC1 O=C(C[*:1])N1CCCCC1 Clc1ccc(cc1)-n1ncc2C3=[NH+]CCCN3C(=Nc21)S[*:1]
O=C(CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=[NH+]CCCN12)N1CCCCC1 Clc1ccc(cc1)[*:1] O=C(CSC1=Nc2c(cnn2[*:1])C2=[NH+]CCCN12)N1CCCCC1
O=C(NCC(C1CC1)C1CC1)NC[C@H]1CCC[C@@H](O)C1 C1CC1[*:1] O=C(NCC(C1CC1)[*:1])NC[C@H]1CCC[C@@H](O)C1
CC(C)Oc1cccc(C(=O)Nc2ccc(CSc3ncn[nH]3)cc2)c1 c1n[nH]c(n1)SC[*:1] CC(C)Oc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)Oc1cccc(C(=O)Nc2ccc(CSc3ncn[nH]3)cc2)c1 c1n[nH]c(n1)S[*:1] CC(C)Oc1cccc(c1)C(=O)Nc1ccc(cc1)C[*:1]
CC(C)Oc1cccc(C(=O)Nc2ccc(CSc3ncn[nH]3)cc2)c1 CC(C)O[*:1] O=C(Nc1ccc(cc1)CSc1ncn[nH]1)c1cccc(c1)[*:1]
CC(C)Oc1cccc(C(=O)Nc2ccc(CSc3ncn[nH]3)cc2)c1 c1n[nH]c(n1)[*:1] CC(C)Oc1cccc(c1)C(=O)Nc1ccc(cc1)CS[*:1]
CC(C)Oc1cccc(C(=O)Nc2ccc(CSc3ncn[nH]3)cc2)c1 CC(C)[*:1] O=C(Nc1ccc(cc1)CSc1ncn[nH]1)c1cccc(c1)O[*:1]
CCOc1cccc(/C([O-])=N/S(=O)(=O)C(CC)CC)c1 CCO[*:1] CCC(CC)S(=O)(=O)/N=C(\[O-])c1cccc(c1)[*:1]
CCOc1cccc(/C([O-])=N/S(=O)(=O)C(CC)CC)c1 CCC(CC)[*:1] CCOc1cccc(c1)/C([O-])=N/S(=O)(=O)[*:1]
CSc1ccc(Cl)c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 c1ccc(cc1)[*:1] CSc1ccc(Cl)c(c1)C(=O)N[C@H](C[NH+]1CCCC1)[*:1]
COCCO[C@@H](C)C(=O)Oc1ccccc1C COC[*:1] Cc1ccccc1OC(=O)[C@H](C)OC[*:1]
COCCO[C@@H](C)C(=O)Oc1ccccc1C COCCO[*:1] Cc1ccccc1OC(=O)[C@H](C)[*:1]
COCCO[C@@H](C)C(=O)Oc1ccccc1C COCC[*:1] Cc1ccccc1OC(=O)[C@H](C)O[*:1]
CC(C)(C)n1nnnc1[C@@H](c1cccs1)[NH+]1CCN(c2cccc[nH+]2)CC1 CC(C)(C)n1nnnc1[*:1] c1ccc([nH+]c1)N1CC[NH+](CC1)[C@H](c1cccs1)[*:1]
CC(C)(C)n1nnnc1[C@@H](c1cccs1)[NH+]1CCN(c2cccc[nH+]2)CC1 c1csc(c1)[*:1] CC(C)(C)n1nnnc1[C@@H]([NH+]1CCN(CC1)c1cccc[nH+]1)[*:1]
CC(C)(C)n1nnnc1[C@@H](c1cccs1)[NH+]1CCN(c2cccc[nH+]2)CC1 CC(C)(C)[*:1] c1ccc([nH+]c1)N1CC[NH+](CC1)[C@H](c1cccs1)c1nnnn1[*:1]
CC1=C(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)[C@H](C)N=N1 c1ccc(cc1)CC[*:1] CC1N=N[C@@H](C)C=1C(=O)C[C@]1(O)C(=O)N(c2ccc(Cl)cc21)[*:1]
CC1=C(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)[C@H](C)N=N1 c1ccc(cc1)[*:1] CC1N=N[C@@H](C)C=1C(=O)C[C@]1(O)C(=O)N(CC[*:1])c2ccc(Cl)cc21
CC1=C(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)[C@H](C)N=N1 c1ccc(cc1)C[*:1] CC1N=N[C@@H](C)C=1C(=O)C[C@]1(O)C(=O)N(C[*:1])c2ccc(Cl)cc21
N#C[C@@]1(NC2CC2)CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 C1CC1[*:1] N#C[C@]1(CC[C@H](C1)N1CC[NH+](CC1)CC1CC1)N[*:1]
N#C[C@@]1(NC2CC2)CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 C1CC1[*:1] N#C[C@]1(CC[C@H](C1)N1CC[NH+](CC1)C[*:1])NC1CC1
N#C[C@@]1(NC2CC2)CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 C1CC1N[*:1] N#C[C@]1(CC[C@H](C1)N1CC[NH+](CC1)CC1CC1)[*:1]
N#C[C@@]1(NC2CC2)CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 C1CC1C[*:1] N#C[C@]1(CC[C@H](C1)N1CC[NH+](CC1)[*:1])NC1CC1
O=C(Nc1ccc(F)cc1)c1ccccc1N1C(=O)c2ccccc2C1=O Fc1ccc(cc1)[*:1] O=C(N[*:1])c1ccccc1N1C(=O)c2ccccc2C1=O
O=C(CNC(=O)c1ccccc1I)NCCC1=CCCCC1 Ic1ccccc1[*:1] O=C(CNC(=O)[*:1])NCCC1=CCCCC1
O=C(C[S@@](=O)Cc1ccccc1F)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(C[S@@](=O)Cc1ccccc1F)Nc1ccc(cc1)[*:1]
O=C(C[S@@](=O)Cc1ccccc1F)Nc1ccc(OC(F)F)cc1 Fc1ccccc1[*:1] O=C(C[S@@](=O)C[*:1])Nc1ccc(cc1)OC(F)F
O=C(C[S@@](=O)Cc1ccccc1F)Nc1ccc(OC(F)F)cc1 Fc1ccccc1C[*:1] O=C(C[S@@](=O)[*:1])Nc1ccc(cc1)OC(F)F
O=C(C[S@@](=O)Cc1ccccc1F)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(C[S@@](=O)Cc1ccccc1F)Nc1ccc(cc1)O[*:1]
CCOc1cc(/C=C(/C#N)C2[NH+]=c3ccccc3=[NH+]2)ccc1Oc1ccc([N+](=O)[O-])cn1 O=[N+]([O-])c1ccc(nc1)O[*:1] CCOc1cc(/C=C(/C#N)C2[NH+]=c3ccccc3=[NH+]2)ccc1[*:1]
CCOc1cc(/C=C(/C#N)C2[NH+]=c3ccccc3=[NH+]2)ccc1Oc1ccc([N+](=O)[O-])cn1 CCO[*:1] N#C/C(=C/c1ccc(Oc2ccc(cn2)[N+](=O)[O-])c(c1)[*:1])C1[NH+]=c2ccccc2=[NH+]1
CCOc1cc(/C=C(/C#N)C2[NH+]=c3ccccc3=[NH+]2)ccc1Oc1ccc([N+](=O)[O-])cn1 O=[N+]([O-])c1ccc(nc1)[*:1] CCOc1cc(/C=C(/C#N)C2[NH+]=c3ccccc3=[NH+]2)ccc1O[*:1]
CCOc1cc(/C=C(/C#N)C2[NH+]=c3ccccc3=[NH+]2)ccc1Oc1ccc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CCOc1cc(/C=C(/C#N)C2[NH+]=c3ccccc3=[NH+]2)ccc1Oc1ccc(cn1)[*:1]
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)C1(c2ccccc2)CC1 O=C([O-])[*:1] O=C(N1C[C@H](O)C[C@H]1[*:1])C1(CC1)c1ccccc1
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)C1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)C1(CC1)[*:1]
O=C(/C=C/c1ccc2c(c1)OCCO2)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(/C=C/c1ccc2OCCOc2c1)NC[*:1]
O=C(/C=C/c1ccc2c(c1)OCCO2)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccc2OCCOc2c1)NCC[*:1]
CCCN1C(=O)Cc2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc21 CCC[*:1] C[C@H](NC(=O)c1ccc2c(c1)CC(=O)N2[*:1])c1ccc(F)cc1
CCCN1C(=O)Cc2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CCCN1C(=O)Cc2cc(ccc21)C(=O)N[C@@H](C)[*:1]
CCc1nc(CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cs1 c1ccc(cc1)[*:1] CCc1nc(cs1)CNc1ccc(Cl)cc1[C@@H](O)[*:1]
CCc1nc(CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cs1 CCc1nc(cs1)C[*:1] O[C@@H](c1ccccc1)c1cc(Cl)ccc1N[*:1]
CCc1nc(CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cs1 CCc1nc(cs1)[*:1] O[C@@H](c1ccccc1)c1cc(Cl)ccc1NC[*:1]
CCc1nc(CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cs1 O[C@@H](c1ccccc1)[*:1] CCc1nc(cs1)CNc1ccc(Cl)cc1[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2ccccc2=O)CC1 O=c1ccccn1C[*:1] Cc1cccc(C)c1NC(=O)CN1CCN(CC1)C(=O)[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2ccccc2=O)CC1 O=c1ccccn1[*:1] Cc1cccc(C)c1NC(=O)CN1CCN(CC1)C(=O)C[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2ccccc2=O)CC1 Cc1cccc(C)c1[*:1] O=C(CN1CCN(CC1)C(=O)Cn1ccccc1=O)N[*:1]
CCOCOC[C@@H]1CS[C@H](c2cccc(O)c2)N1 CCOCOC[*:1] Oc1cccc(c1)[C@@H]1N[C@@H](CS1)[*:1]
CCOCOC[C@@H]1CS[C@H](c2cccc(O)c2)N1 CCOC[*:1] Oc1cccc(c1)[C@@H]1N[C@H](CO[*:1])CS1
CCOCOC[C@@H]1CS[C@H](c2cccc(O)c2)N1 CCO[*:1] Oc1cccc(c1)[C@@H]1N[C@H](COC[*:1])CS1
CCOCOC[C@@H]1CS[C@H](c2cccc(O)c2)N1 CCOCO[*:1] Oc1cccc(c1)[C@@H]1N[C@@H](CS1)C[*:1]
Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(Cc1ccc(C(=O)N3CCCCC3)cc1)C2 O=C(Nc1ccccc1)[*:1] Cn1nc(c2CN(CCc21)Cc1ccc(cc1)C(=O)N1CCCCC1)[*:1]
Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(Cc1ccc(C(=O)N3CCCCC3)cc1)C2 c1ccc(cc1)[*:1] Cn1nc(C(=O)N[*:1])c2CN(CCc21)Cc1ccc(cc1)C(=O)N1CCCCC1
Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(Cc1ccc(C(=O)N3CCCCC3)cc1)C2 O=C(N1CCCCC1)[*:1] Cn1nc(C(=O)Nc2ccccc2)c2CN(CCc21)Cc1ccc(cc1)[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccco1 Cc1cccc(C)c1[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccco1 c1coc(c1)[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C[*:1]
C[NH2+][C@H](CCCOC)c1cscc1Br COC[*:1] C[NH2+][C@H](CC[*:1])c1cscc1Br
C[NH2+][C@H](CCCOC)c1cscc1Br COCC[*:1] C[NH2+][C@H](C[*:1])c1cscc1Br
Cc1c(Cl)cccc1NC(=O)[C@@H](C)[S@](=O)Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1c(Cl)cccc1NC(=O)[C@@H](C)[S@](=O)C[*:1]
C[C@@H](c1c(F)cccc1F)S(=O)(=O)CCCN1C(=O)CNC1=O O=C1CNC(=O)N1[*:1] C[C@@H](c1c(F)cccc1F)S(=O)(=O)CCC[*:1]
CCN(C(=O)c1scnc1C1CC1)[C@@H](C)c1ccc(F)cc1 C1CC1[*:1] CCN(C(=O)c1scnc1[*:1])[C@@H](C)c1ccc(F)cc1
CCN(C(=O)c1scnc1C1CC1)[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)c1scnc1C1CC1)[C@@H](C)[*:1]
O=C(c1ccoc1)N1CCN(C(=O)c2[nH]nc(C3CC3)c2Cl)CC1 C1CC1[*:1] O=C(c1ccoc1)N1CCN(CC1)C(=O)c1[nH]nc(c1Cl)[*:1]
O=C(c1ccoc1)N1CCN(C(=O)c2[nH]nc(C3CC3)c2Cl)CC1 c1cc(co1)[*:1] O=C(c1[nH]nc(c1Cl)C1CC1)N1CCN(CC1)C(=O)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F O=C(N[*:1])c1ccoc1 C[C@H](C(=O)Nc1cc(ccc1OC(F)F)[N+](=O)[O-])[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1cc(ccc1OC(F)F)[N+](=O)[O-]
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F FC(F)O[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc(ccc1[*:1])[N+](=O)[O-]
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F O=[N+]([O-])[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc(ccc1OC(F)F)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F FC(F)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc(ccc1O[*:1])[N+](=O)[O-]
C[NH+](C)[C@H](CNC(=O)C1CCCCCC1)c1ccccc1 C1CCCC(CC1)[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])c1ccccc1
C[NH+](C)[C@H](CNC(=O)C1CCCCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)C1CCCCCC1)[*:1]
C[C@@H](C(=O)N(C)C1CCCCC1)n1nnc(-c2ccccc2)n1 C1CCC(CC1)[*:1] C[C@@H](C(=O)N(C)[*:1])n1nnc(n1)-c1ccccc1
C[C@@H](C(=O)N(C)C1CCCCC1)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N(C)C1CCCCC1)n1nnc(n1)[*:1]
C[C@H](c1ccccc1F)N(C(=O)C[C@@H]1SC(N)=NC1=O)C1CC1 Fc1ccccc1[*:1] C[C@H](N(C(=O)C[C@@H]1SC(N)=NC1=O)C1CC1)[*:1]
C[C@H](c1ccccc1F)N(C(=O)C[C@@H]1SC(N)=NC1=O)C1CC1 C1CC1[*:1] C[C@H](c1ccccc1F)N(C(=O)C[C@@H]1SC(N)=NC1=O)[*:1]
Cc1cccc([C@H](CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1ccc(cc1)-n1cnc2ccccc21
Cc1cccc([C@H](CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@H](CNC(=O)c1ccc(cc1)-n1cnc2ccccc21)[*:1]
Cc1cccc([C@H](CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)N2CCOCC2)c1 c1ccc2c(c1)ncn2[*:1] Cc1cccc(c1)[C@H](CNC(=O)c1ccc(cc1)[*:1])N1CCOCC1
CC1(C)CC(/N=C/c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 O=[N+]([O-])[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)/N=C/c1cccc(c1)[*:1]
CCCN(CCC)C(=O)CCc1c[nH]c2ccccc12 CCC[*:1] CCCN(C(=O)CCc1c[nH]c2ccccc12)[*:1]
Cn1cc(C(N)=O)c(NC(=O)COc2cc(F)ccc2F)n1 NC(=O)[*:1] Cn1cc(c(n1)NC(=O)COc1cc(F)ccc1F)[*:1]
CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)Nc2nccs2)s1 C1CO[C@@H](C1)[*:1] CC(=O)N(C[*:1])c1nc(C)c(s1)C(=O)Nc1nccs1
CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)Nc2nccs2)s1 O=C(Nc1nccs1)[*:1] CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(s1)[*:1]
CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)Nc2nccs2)s1 C1CO[C@@H](C1)C[*:1] CC(=O)N(c1nc(C)c(s1)C(=O)Nc1nccs1)[*:1]
CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)Nc2nccs2)s1 c1csc(n1)[*:1] CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(s1)C(=O)N[*:1]
CC[C@]1(C(=O)[O-])CCCN(C(=O)c2csc(C)c2-c2ccccc2)C1 O=C([O-])[*:1] CC[C@@]1(CCCN(C1)C(=O)c1csc(C)c1-c1ccccc1)[*:1]
CC[C@]1(C(=O)[O-])CCCN(C(=O)c2csc(C)c2-c2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@@]1(CCCN(C1)C(=O)c1csc(C)c1[*:1])C(=O)[O-]
C[C@H]1CN(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2[nH+]ccn2C)C[C@@H](C)O1 Fc1cccc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)[N-][C@@H](c1[nH+]ccn1C)[*:1]
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)CC2)c(Cl)c1 Cc1nc(no1)[*:1] Cc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cc(cs2)[*:1])c(Cl)c1
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)CC2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cn1cccc1CNc1cncc(-c2nncn2C)c1 Cn1cccc1[*:1] Cn1cnnc1-c1cncc(c1)NC[*:1]
Cn1cccc1CNc1cncc(-c2nncn2C)c1 Cn1cnnc1[*:1] Cn1cccc1CNc1cncc(c1)[*:1]
Cc1ccc(CC(=O)NCCNC(=O)c2ccccc2Cl)cc1O Cc1ccc(cc1O)[*:1] O=C(C[*:1])NCCNC(=O)c1ccccc1Cl
Cc1ccc(CC(=O)NCCNC(=O)c2ccccc2Cl)cc1O Clc1ccccc1[*:1] Cc1ccc(cc1O)CC(=O)NCCNC(=O)[*:1]
O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)N1CCC[C@H](C1)[*:1]
O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CSc1nnc(o1)[*:1])N1CCC[C@@H](C1)c1nc2ccccc2s1
COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2OC)c1 COc1ccccc1[*:1] COc1cccc(c1)CN(C[C@H]1CCCO1)C(=O)[*:1]
COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2OC)c1 COc1cccc(c1)[*:1] COc1ccccc1C(=O)N(C[C@H]1CCCO1)C[*:1]
CCC(CC)(CC(=O)NNC(=O)C1CC1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(CC(=O)NNC(=O)C1CC1)[*:1]
CCC(CC)(CC(=O)NNC(=O)C1CC1)C(=O)[O-] C1CC1[*:1] CCC(CC)(CC(=O)NNC(=O)[*:1])C(=O)[O-]
CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCc2nn(C)c(=O)cc2C1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@@H](N1CCc2nn(C)c(=O)cc2C1)[*:1]
CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCc2nn(C)c(=O)cc2C1 CNC(=O)NC(=O)[*:1] Cn1nc2CCN(Cc2cc1=O)[C@H](c1ccccc1)[*:1]
Cc1ccc(NC(=O)C(=O)NCc2sc(-c3ccccc3)nc2C)c(Cl)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C(=O)NCc2sc(nc2C)[*:1])c(Cl)c1
Cc1ccc(NC(=O)C(=O)NCc2sc(-c3ccccc3)nc2C)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] Cc1nc(sc1CNC(=O)C(=O)N[*:1])-c1ccccc1
Cc1ccc(SCC(=O)Nc2nc3ccc(C)cc3s2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2nc(NC(=O)CS[*:1])sc2c1
CNC(=O)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 CNC(=O)NC(=O)[*:1] O=S(=O)(c1ccc(nc1)SC[*:1])N1CCCCC1
CNC(=O)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 CNC(=O)NC(=O)C[*:1] O=S(=O)(c1ccc(nc1)S[*:1])N1CCCCC1
COc1cc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc(OC)c1OC c1cc(co1)[*:1] COc1cc(cc(OC)c1OC)C(=O)NC1CCN(CC1)C(=O)[*:1]
CCc1c[nH+]c(C)nc1N1CCC[C@@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 COc1ccccc1[*:1] CCc1c[nH+]c(C)nc1N1CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
C[NH+](C)[C@@H]1CCCN(C(=O)c2n[nH]c(C3CC3)n2)C1 C1CC1[*:1] C[NH+](C)[C@@H]1CCCN(C1)C(=O)c1n[nH]c(n1)[*:1]
C[C@@H](CN(C)C(=O)OC(C)(C)C)c1nc(-c2cnccn2)no1 c1cnc(cn1)[*:1] C[C@@H](CN(C)C(=O)OC(C)(C)C)c1nc(no1)[*:1]
C[C@@H](CN(C)C(=O)OC(C)(C)C)c1nc(-c2cnccn2)no1 CC(C)(C)[*:1] C[C@@H](CN(C)C(=O)O[*:1])c1nc(no1)-c1cnccn1
O=C(NC[C@@H](CCO)c1ccccc1)N[C@@H]1CCCc2ccc(F)cc21 c1ccc(cc1)[*:1] O=C(NC[C@@H](CCO)[*:1])N[C@@H]1CCCc2ccc(F)cc21
O=C(NC[C@@H](CCO)c1ccccc1)N[C@@H]1CCCc2ccc(F)cc21 OCC[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])N[C@@H]1CCCc2ccc(F)cc21
CS(=O)(=O)c1ccc2c(c1)CCCN2Cc1cccc2cccnc12 CS(=O)(=O)[*:1] c1cnc2c(cccc2c1)CN1CCCc2cc(ccc21)[*:1]
N/C(=N/OCc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 O=[N+]([O-])[*:1] N/C(=N/OCc1ccccc1[*:1])c1cc2ccccc2o1
COc1ccc(C(=O)COC(=O)c2ccc(-c3nc(C)no3)cc2)cc1F COc1ccc(cc1F)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)OCC(=O)[*:1]
COc1ccc(C(=O)COC(=O)c2ccc(-c3nc(C)no3)cc2)cc1F Cc1noc(n1)[*:1] COc1ccc(cc1F)C(=O)COC(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1cccc(OC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 CC(C)(C)[*:1] O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Oc1cccc(c1)[*:1]
O=C(Cc1cccc2cccnc12)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(Cc1cccc2cccnc12)N1CCOC[C@H]1[*:1]
CCOC(=O)c1cnn2c1nnc1c(=O)n(-c3ccc(OCC)cc3)ccc12 CCOc1ccc(cc1)[*:1] CCOC(=O)c1cnn2c1nnc1c(=O)n(ccc12)[*:1]
CCOC(=O)c1cnn2c1nnc1c(=O)n(-c3ccc(OCC)cc3)ccc12 CCO[*:1] CCOC(=O)c1cnn2c1nnc1c(=O)n(ccc12)-c1ccc(cc1)[*:1]
CCOC(=O)c1cnn2c1nnc1c(=O)n(-c3ccc(OCC)cc3)ccc12 CCOC(=O)[*:1] CCOc1ccc(cc1)-n1ccc2c(nnc3c(cnn32)[*:1])c1=O
COC(=O)c1cc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)ccn1 COC(=O)[*:1] CN(C(=O)c1ccnc(c1)[*:1])[C@H]1CCCN(C1)c1ccccc1
COC(=O)c1cc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)ccn1 c1ccc(cc1)[*:1] COC(=O)c1cc(ccn1)C(=O)N(C)[C@H]1CCCN(C1)[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)C(=O)N[*:1]
COc1ccc(-c2nnc([C@H](C)OC(=O)[C@H]3COc4ccccc4O3)o2)cc1 COc1ccc(cc1)[*:1] C[C@H](OC(=O)[C@H]1COc2ccccc2O1)c1nnc(o1)[*:1]
CC(=O)c1sc(-c2cncn2C2CC2)nc1C CC(=O)[*:1] Cc1nc(sc1[*:1])-c1cncn1C1CC1
CC(=O)c1sc(-c2cncn2C2CC2)nc1C C1CC1[*:1] CC(=O)c1sc(nc1C)-c1cncn1[*:1]
CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CNC(=O)[C@@]1(CCN(C1)C(=O)[*:1])Cc1ccccc1-c1ccccc1
CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CNC(=O)[C@@]1(CCN(C1)C(=O)c1ccccc1)Cc1ccccc1[*:1]
CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccc2)C1 CNC(=O)[*:1] O=C(c1ccccc1)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C1)[*:1]
C[C@@H](CCO)SC[C@H]([NH3+])c1ccc2c(c1)OCCO2 C[C@@H](CCO)[*:1] [NH3+][C@@H](CS[*:1])c1ccc2OCCOc2c1
C[C@@H](CCO)SC[C@H]([NH3+])c1ccc2c(c1)OCCO2 OCC[*:1] C[C@@H](SC[C@H]([NH3+])c1ccc2OCCOc2c1)[*:1]
C[C@@H](CCO)SC[C@H]([NH3+])c1ccc2c(c1)OCCO2 C[C@@H](CCO)S[*:1] [NH3+][C@@H](C[*:1])c1ccc2OCCOc2c1
CC(C)(C)[C@@H](O)CN1CCN(Cc2nnnn2C2CC2)CC1 CC(C)(C)[*:1] O[C@@H](CN1CCN(CC1)Cc1nnnn1C1CC1)[*:1]
CC(C)(C)[C@@H](O)CN1CCN(Cc2nnnn2C2CC2)CC1 CC(C)(C)[C@@H](O)[*:1] C1CC1n1nnnc1CN1CCN(CC1)C[*:1]
CC(C)(C)[C@@H](O)CN1CCN(Cc2nnnn2C2CC2)CC1 CC(C)(C)[C@@H](O)C[*:1] C1CC1n1nnnc1CN1CCN(CC1)[*:1]
CC(C)(C)[C@@H](O)CN1CCN(Cc2nnnn2C2CC2)CC1 C1CC1[*:1] CC(C)(C)[C@@H](O)CN1CCN(CC1)Cc1nnnn1[*:1]
O=[N+]([O-])c1c(NNc2ccccc2)ncnc1Oc1ccc(Br)c2cccnc12 O=[N+]([O-])[*:1] Brc1ccc(Oc2ncnc(NNc3ccccc3)c2[*:1])c2ncccc12
O=[N+]([O-])c1c(NNc2ccccc2)ncnc1Oc1ccc(Br)c2cccnc12 c1ccc(cc1)NN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Oc1ccc(Br)c2cccnc12
O=[N+]([O-])c1c(NNc2ccccc2)ncnc1Oc1ccc(Br)c2cccnc12 c1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1Oc1ccc(Br)c2cccnc12)NN[*:1]
CSc1nc(-c2ccccc2)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1 c1ccc(cc1)[*:1] CSc1nc(-c2ccccc2)c(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
CSc1nc(-c2ccccc2)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1 c1ccc(cc1)[*:1] CSc1nc(c(NC(=O)[C@@H]2CC(=O)N(C2)c2ccccc2)s1)[*:1]
CSC1(C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)CCOCC1 C1CC1[*:1] CSC1(CCOCC1)C[NH2+][C@H](Cc1cccc(C)c1)[*:1]
CSC1(C[NH2+][C@H](Cc2cccc(C)c2)C2CC2)CCOCC1 Cc1cccc(c1)[*:1] CSC1(CCOCC1)C[NH2+][C@H](C[*:1])C1CC1
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCOC(=O)C1=C(C)NC2CCCC(=O)C=2[C@H]1[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 CCOC(=O)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1[*:1])c1cccc(Cl)c1
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1cccc3ccccc13)CC2 O=C([O-])[*:1] CN1C(=O)C[C@@H](C12CCN(CC2)C(=O)c1cccc2ccccc12)[*:1]
Cc1ccc(N2C[C@@H](C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)CC2=O)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)OCc1cc(cc2COCOc21)[*:1]
Cc1ccc(N2C[C@@H](C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(OCc1cc(cc2COCOc21)[N+](=O)[O-])[C@H]1CC(=O)N(C1)[*:1]
CC(C)(C)CC[NH+]1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 CC(C)(C)C[*:1] Clc1ccc(cc1)-c1noc(CCN2CC[NH+](CC2)C[*:1])n1
CC(C)(C)CC[NH+]1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 CC(C)(C)[*:1] Clc1ccc(cc1)-c1noc(CCN2CC[NH+](CC2)CC[*:1])n1
CC(C)(C)CC[NH+]1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 Clc1ccc(cc1)[*:1] CC(C)(C)CC[NH+]1CCN(CCc2nc(no2)[*:1])CC1
Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCO2 Cc1ccccc1[*:1] C[C@H](C(=O)NC[*:1])[NH+]1CCC2(CC1)OCCO2
Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)c2C)n1 Fc1ccc(cc1)[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(CC(=O)N2CCO[C@@H](C2)[*:1])c1C
Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)c2C)n1 Cc1cc(C)nc(n1)[*:1] Cc1nn(c(C)c1CC(=O)N1CCO[C@H](C1)c1ccc(F)cc1)[*:1]
Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3)c(Cl)c12 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c2ncc(C(=O)N[*:1])c(Cl)c12
Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3)c(Cl)c12 c1ccc(cc1)[*:1] Cc1nn(c2ncc(C(=O)Nc3ccccc3)c(Cl)c12)[*:1]
Cc1cccc(Nc2nc(Nc3ccccc3)c3cnn(C)c3n2)c1 c1ccc(cc1)N[*:1] Cc1cccc(c1)Nc1nc(c2cnn(C)c2n1)[*:1]
Cc1cccc(Nc2nc(Nc3ccccc3)c3cnn(C)c3n2)c1 Cc1cccc(c1)[*:1] Cn1ncc2c(nc(nc21)N[*:1])Nc1ccccc1
Cc1cccc(Nc2nc(Nc3ccccc3)c3cnn(C)c3n2)c1 Cc1cccc(c1)N[*:1] Cn1ncc2c(nc(nc21)[*:1])Nc1ccccc1
Cc1cccc(Nc2nc(Nc3ccccc3)c3cnn(C)c3n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)Nc1nc(N[*:1])c2cnn(C)c2n1
Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4cccc(C)c4C)C3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(NC(=O)N2CCC[C@@H](C2)c2nnc(s2)C(=O)N[*:1])c1C
Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4cccc(C)c4C)C3)s2)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1cccc(NC(=O)N2CCC[C@@H](C2)c2nnc(s2)[*:1])c1C
Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4cccc(C)c4C)C3)s2)cc1 Cc1cccc(c1C)[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(NCCc1cc(F)cc2c1OCOC2)NC[C@@H](O)c1ccco1 c1coc(c1)[*:1] O=C(NCCc1cc(F)cc2COCOc12)NC[C@@H](O)[*:1]
O=C(NCCc1cc(F)cc2c1OCOC2)NC[C@@H](O)c1ccco1 O[C@H](C[*:1])c1ccco1 O=C(NCCc1cc(F)cc2COCOc12)N[*:1]
O=C(NCCc1cc(F)cc2c1OCOC2)NC[C@@H](O)c1ccco1 O[C@@H](c1ccco1)[*:1] O=C(NCCc1cc(F)cc2COCOc12)NC[*:1]
NC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)o2)c2ccccc21 Brc1ccc(o1)[*:1] NC(=O)[C@@H]1CCN(C(=O)[*:1])c2ccccc21
NC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)o2)c2ccccc21 NC(=O)[*:1] O=C(c1ccc(Br)o1)N1CC[C@H](c2ccccc21)[*:1]
COc1cccc2c1OC[C@@H](C(=O)NCCc1nc3c(s1)CCC3)C2 C1Cc2nc(sc2C1)[*:1] COc1cccc2C[C@@H](COc21)C(=O)NCC[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)NCCc2ccccn2)C1 c1ccc(nc1)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)NCC[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)NCCc2ccccn2)C1 c1ccc(C[*:1])nc1 CC[NH+](CC)[C@@H]1CCN(C1)C(=O)NC[*:1]
C[C@@H](Sc1ccc(Br)cc1N)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1ccc(Br)cc1N)C(=O)N[*:1]
CC(C)N[C@]1(C#N)CCC[C@H](N2CCC[C@H]([NH+](C)C)C2)C1 CC(C)[*:1] C[NH+](C)[C@H]1CCCN(C1)[C@H]1CCC[C@](C#N)(C1)N[*:1]
CC(C)N[C@]1(C#N)CCC[C@H](N2CCC[C@H]([NH+](C)C)C2)C1 CC(C)N[*:1] C[NH+](C)[C@H]1CCCN(C1)[C@H]1CCC[C@@](C#N)(C1)[*:1]
C[C@@H](NC(=O)N1CCC(n2cncn2)CC1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)n1cncn1)[*:1]
C[C@@H](NC(=O)N1CCC(n2cncn2)CC1)C1CCCCC1 c1ncn(n1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)[*:1])C1CCCCC1
CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCO[C@H]2C)cc1 CCN(CC)C(=O)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 Clc1cccc(c1)[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 Clc1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N1CCN(CC1)c1cccc(Cl)c1
COC(=O)CNc1nc2ccc(OC)cc2s1 COC(=O)[*:1] COc1ccc2nc(NC[*:1])sc2c1
COC(=O)CNc1nc2ccc(OC)cc2s1 COC(=O)C[*:1] COc1ccc2nc(N[*:1])sc2c1
COc1cc(C)c(C(=O)N(C)c2ccc(Cl)cn2)cc1OC Clc1ccc(nc1)[*:1] COc1cc(C)c(cc1OC)C(=O)N(C)[*:1]
COc1ccc(/C(C)=C/C(=O)N2CCCC[C@@H]2CCO)cc1 OCC[*:1] COc1ccc(cc1)/C(C)=C/C(=O)N1CCCC[C@H]1[*:1]
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=[N+]([O-])c1cccc(c1)N(S(=O)(=O)c1ccccc1)[*:1]
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCOCC1 O=[N+]([O-])[*:1] O=C(CN(c1cccc(c1)[*:1])S(=O)(=O)c1ccccc1)N1CCOCC1
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CN(c1cccc(c1)[N+](=O)[O-])S(=O)(=O)[*:1])N1CCOCC1
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCOCC1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])N1CCOCC1
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=[N+]([O-])c1cccc(c1)N(C[*:1])S(=O)(=O)c1ccccc1
Cc1cc2c(cc1C)[C@@H](N[C@@H]1CCN(C3CCCCC3)C1=O)CCO2 C1CCC(CC1)[*:1] Cc1cc2OCC[C@H](N[C@@H]3CCN(C3=O)[*:1])c2cc1C
CCOc1ccc(CCC(=O)N2CC(C)(C)C2(C)C)cc1 CCO[*:1] CC1(C)CN(C(=O)CCc2ccc(cc2)[*:1])C1(C)C
COc1ccc(C(=O)NNc2ncnc(Oc3cccc4cccnc34)c2N)cc1 COc1ccc(cc1)[*:1] Nc1c(ncnc1Oc1cccc2cccnc12)NNC(=O)[*:1]
COc1ccc(C(=O)NNc2ncnc(Oc3cccc4cccnc34)c2N)cc1 c1cnc2c(cccc2c1)[*:1] COc1ccc(cc1)C(=O)NNc1ncnc(O[*:1])c1N
CN(C)C(=O)CCNC(=O)C(=O)Nc1ccnn1C1CCCCC1 CN(C)C(=O)[*:1] O=C(NCC[*:1])C(=O)Nc1ccnn1C1CCCCC1
CN(C)C(=O)CCNC(=O)C(=O)Nc1ccnn1C1CCCCC1 CN(C)C(=O)C[*:1] O=C(NC[*:1])C(=O)Nc1ccnn1C1CCCCC1
CN(C)C(=O)CCNC(=O)C(=O)Nc1ccnn1C1CCCCC1 CN(C)C(=O)CC[*:1] O=C(Nc1ccnn1C1CCCCC1)C(=O)N[*:1]
CN(C)C(=O)CCNC(=O)C(=O)Nc1ccnn1C1CCCCC1 C1CCC(CC1)[*:1] CN(C)C(=O)CCNC(=O)C(=O)Nc1ccnn1[*:1]
C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCc1cc[nH+]c(c1)[*:1]
CCOC(=O)c1c[nH]c2ccc(O)cc2c1=O CCOC(=O)[*:1] O=c1c(c[nH]c2ccc(O)cc12)[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccccc2)C1 CC(C)[*:1] CC(C)c1cccc(c1NC(=O)N1CCO[C@H](C1)c1ccccc1)[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)c1cccc(c1NC(=O)N1CCO[C@@H](C1)[*:1])C(C)C
O=C(Nc1cc(-c2c(F)cccc2F)[nH]n1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(Nc1cc([nH]n1)-c1c(F)cccc1F)[*:1]
Cn1c(=O)c2sccc2n2c(CSc3cccc(F)c3)nnc12 Fc1cccc(c1)[*:1] Cn1c(=O)c2sccc2n2c(CS[*:1])nnc12
CO[C@H]1CCC[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 O=[N+]([O-])[*:1] CO[C@H]1CCC[C@H]1Nc1nc2cc(ccc2[nH]1)[*:1]
C[C@H]1OCC[C@H]1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1ncc(C[*:1])s1
c1ccc([C@@H]([NH2+]C2COC2)C2CCCCC2)cc1 c1ccc(cc1)[*:1] C1CCC(CC1)[C@H]([NH2+]C1COC1)[*:1]
c1ccc([C@@H]([NH2+]C2COC2)C2CCCCC2)cc1 C1CCC(CC1)[*:1] c1ccc(cc1)[C@@H]([NH2+]C1COC1)[*:1]
CN(Cc1ccccc1)C(=O)c1cncc(Br)c1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cncc(Br)c1
O=C(C[NH+]1CCOCC1)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 O=C(c1ccc(F)cc1)[*:1] O=C(C[NH+]1CCOCC1)Nc1c(oc2ccccc12)[*:1]
O=C(C[NH+]1CCOCC1)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCOCC1)Nc1c(oc2ccccc12)C(=O)[*:1]
CCNC(=O)Nc1ccc(OCC(=O)NCc2cc(F)ccc2F)nc1 Fc1ccc(F)c(c1)[*:1] CCNC(=O)Nc1ccc(nc1)OCC(=O)NC[*:1]
CCNC(=O)Nc1ccc(OCC(=O)NCc2cc(F)ccc2F)nc1 CCNC(=O)N[*:1] O=C(COc1ccc(cn1)[*:1])NCc1cc(F)ccc1F
COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc4ccccc4c3)n2)cc1OC c1ccc2cc(ccc2c1)[*:1] COc1ccc(cc1OC)-c1csc(n1)-n1nc(C)cc1NC(=O)[*:1]
COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc4ccccc4c3)n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(NC(=O)c2ccc3ccccc3c2)n(n1)-c1nc(cs1)[*:1]
CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(C(=O)NC)CC1 CCC[*:1] CNC(=O)C1CC[NH+](CC1)CC(=O)N(Cc1ccc(C)cc1)[*:1]
CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(C(=O)NC)CC1 Cc1ccc(cc1)C[*:1] CCCN(C(=O)C[NH+]1CCC(CC1)C(=O)NC)[*:1]
CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(C(=O)NC)CC1 CNC(=O)[*:1] CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(CC1)[*:1]
CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(C(=O)NC)CC1 Cc1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)C[NH+]1CCC(CC1)C(=O)NC
C[C@H](CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)C[*:1]
C[C@H](CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)C[C@@H](C)O C[C@@H](C[C@@H](C)O)C[*:1] C[C@@H]1C[C@H]1[C@H](NC(=O)N[*:1])c1ccc(Cl)cc1
C[C@H](CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)[*:1]
C[C@H](CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)C[C@@H](C)O C[C@@H]1C[C@H]1[*:1] C[C@H](CNC(=O)N[C@H](c1ccc(Cl)cc1)[*:1])C[C@@H](C)O
C[C@H](CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)C[C@@H](C)O C[C@H](C[C@@H](C)O)[*:1] C[C@@H]1C[C@H]1[C@H](NC(=O)NC[*:1])c1ccc(Cl)cc1
C[C@H](CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)C[C@@H](C)O Clc1ccc(cc1)[*:1] C[C@H](CNC(=O)N[C@H]([C@@H]1C[C@H]1C)[*:1])C[C@@H](C)O
O=C(CCc1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1 c1coc(c1)[*:1] O=C(CCc1ccccc1)N1N=C(C[C@H]1c1ccccc1)[*:1]
O=C(CCc1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1 c1ccc(cc1)C[*:1] O=C(C[*:1])N1N=C(C[C@H]1c1ccccc1)c1ccco1
O=C(CCc1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CC[*:1])N1N=C(C[C@H]1c1ccccc1)c1ccco1
O=C(CCc1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1 c1ccc(cc1)CC[*:1] O=C(N1N=C(C[C@H]1c1ccccc1)c1ccco1)[*:1]
O=C(CCc1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1ccccc1)N1N=C(C[C@@H]1[*:1])c1ccco1
Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(OCCC(C)C)cc1 CC(C)C[*:1] Cc1nc2[C@@H](CCCn2n1)NC(=O)Nc1ccc(cc1)OC[*:1]
Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(OCCC(C)C)cc1 CC(C)[*:1] Cc1nc2[C@@H](CCCn2n1)NC(=O)Nc1ccc(cc1)OCC[*:1]
Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(OCCC(C)C)cc1 CC(C)CCO[*:1] Cc1nc2[C@@H](CCCn2n1)NC(=O)Nc1ccc(cc1)[*:1]
Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(OCCC(C)C)cc1 CC(C)CC[*:1] Cc1nc2[C@@H](CCCn2n1)NC(=O)Nc1ccc(cc1)O[*:1]
CCN(c1ccccc1)S(=O)(=O)c1cnc(Cl)c(Br)c1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1cnc(Cl)c(Br)c1)[*:1]
Cc1ccc(CNC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1 Clc1ccc(cc1)[*:1] Cc1ccc(cn1)CNC(=O)N[C@H]1CCO[C@@H]1[*:1]
Cc1ccc(CNC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1 Cc1ccc(cn1)[*:1] O=C(NC[*:1])N[C@H]1CCO[C@H]1c1ccc(Cl)cc1
Cc1ccc(CNC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1 Cc1ccc(cn1)C[*:1] O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)N[*:1]
C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N1CCN(CC1)c1cccc[nH+]1
C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
Cc1csc(=O)n1CCCC(=O)Nc1ccc2c(c1)OCO2 Cc1csc(=O)n1[*:1] O=C(CCC[*:1])Nc1ccc2OCOc2c1
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCN(CC(F)(F)F)C3)cn2)CC1 FC(F)(F)C[*:1] CC[NH+]1CCN(CC1)c1ccc(cn1)C[NH2+][C@@H]1CCN(C1)[*:1]
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCN(CC(F)(F)F)C3)cn2)CC1 FC(F)(F)[*:1] CC[NH+]1CCN(CC1)c1ccc(cn1)C[NH2+][C@@H]1CCN(C1)C[*:1]
Cc1noc(COCC(=O)Nc2cccc(C#Cc3ccccc3)c2)n1 Cc1noc(CO[*:1])n1 O=C(C[*:1])Nc1cccc(C#Cc2ccccc2)c1
Cc1noc(COCC(=O)Nc2cccc(C#Cc3ccccc3)c2)n1 C(#C[*:1])c1ccccc1 Cc1noc(COCC(=O)Nc2cccc(c2)[*:1])n1
Cc1noc(COCC(=O)Nc2cccc(C#Cc3ccccc3)c2)n1 Cc1noc(n1)[*:1] O=C(COC[*:1])Nc1cccc(C#Cc2ccccc2)c1
Cc1noc(COCC(=O)Nc2cccc(C#Cc3ccccc3)c2)n1 Cc1noc(C[*:1])n1 O=C(CO[*:1])Nc1cccc(C#Cc2ccccc2)c1
Cc1noc(COCC(=O)Nc2cccc(C#Cc3ccccc3)c2)n1 c1ccc(cc1)[*:1] Cc1noc(COCC(=O)Nc2cccc(C#C[*:1])c2)n1
O=C(Cc1cc(F)ccc1F)Nc1cccc(CN2CCCCC2=O)c1 Fc1ccc(F)c(c1)[*:1] O=C(C[*:1])Nc1cccc(c1)CN1CCCCC1=O
O=C(Cc1cc(F)ccc1F)Nc1cccc(CN2CCCCC2=O)c1 O=C1CCCCN1[*:1] O=C(Cc1cc(F)ccc1F)Nc1cccc(c1)C[*:1]
O=C(Cc1cc(F)ccc1F)Nc1cccc(CN2CCCCC2=O)c1 O=C1CCCCN1C[*:1] O=C(Cc1cc(F)ccc1F)Nc1cccc(c1)[*:1]
Cc1cccc(Cl)c1NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] Cc1cccc(Cl)c1NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cccc(Cl)c1NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 Cc1cccc(Cl)c1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
O=C(NC1CCCCCCC1)c1cnn2c1nc([O-])c1ccccc12 C1CCCC(CCC1)[*:1] O=C(N[*:1])c1cnn2c1nc([O-])c1ccccc12
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)cc2)c1 CCC[*:1] Cc1ccc(cc1)C(=O)Nc1cc(ccc1Cl)NC(=O)[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CCCC(=O)Nc1ccc(Cl)c(c1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)cc2)c1 CCCC(=O)N[*:1] Cc1ccc(cc1)C(=O)Nc1cc(ccc1Cl)[*:1]
Cc1csc([C@H](C#N)C(=O)c2ccccc2OCc2ccccc2C)n1 Cc1csc(n1)[*:1] Cc1ccccc1COc1ccccc1C(=O)[C@@H](C#N)[*:1]
Cc1csc([C@H](C#N)C(=O)c2ccccc2OCc2ccccc2C)n1 Cc1ccccc1[*:1] Cc1csc(n1)[C@H](C#N)C(=O)c1ccccc1OC[*:1]
Cc1csc([C@H](C#N)C(=O)c2ccccc2OCc2ccccc2C)n1 Cc1ccccc1C[*:1] Cc1csc(n1)[C@H](C#N)C(=O)c1ccccc1O[*:1]
CCOc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] CCOc1ccc(cc1[*:1])NC(=O)Cc1c(F)cccc1Cl
CCOc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N(C)C CCO[*:1] CN(C)S(=O)(=O)c1cc(ccc1[*:1])NC(=O)Cc1c(F)cccc1Cl
CCOc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N(C)C Fc1cccc(Cl)c1[*:1] CCOc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)C[*:1]
CCOc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N(C)C Fc1cccc(Cl)c1C[*:1] CCOc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(C#N)c1 CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])C(=O)N[C@H](C)c1cccc(C#N)c1
C#CCN(CC#C)Cc1c(C)nc2sccn12 C#CC[*:1] C#CCN(Cc1c(C)nc2sccn12)[*:1]
O=C(CN1CCc2cc(F)ccc2C1)Nc1nccs1 c1csc(n1)[*:1] O=C(CN1CCc2cc(F)ccc2C1)N[*:1]
CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 Fc1cccc(c1)[*:1] CC(C)[NH+]1CCN(CC1)C(=O)[C@@H]1CCC(=O)N(CC[*:1])C1
CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 CC(C)[*:1] O=C1CC[C@H](CN1CCc1cccc(F)c1)C(=O)N1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 Fc1cccc(c1)C[*:1] CC(C)[NH+]1CCN(CC1)C(=O)[C@@H]1CCC(=O)N(C1)C[*:1]
CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 Fc1cccc(c1)CC[*:1] CC(C)[NH+]1CCN(CC1)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
C#CCOc1ccccc1/C=C(\C#N)C(=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] C#CCOc1ccccc1/C=C(\C#N)C(=O)N[*:1]
C#CCOc1ccccc1/C=C(\C#N)C(=O)NCCc1ccccc1 C#CC[*:1] N#C/C(=C\c1ccccc1O[*:1])C(=O)NCCc1ccccc1
C#CCOc1ccccc1/C=C(\C#N)C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] C#CCOc1ccccc1/C=C(\C#N)C(=O)NC[*:1]
C#CCOc1ccccc1/C=C(\C#N)C(=O)NCCc1ccccc1 C#CCO[*:1] N#C/C(=C\c1ccccc1[*:1])C(=O)NCCc1ccccc1
C#CCOc1ccccc1/C=C(\C#N)C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] C#CCOc1ccccc1/C=C(\C#N)C(=O)NCC[*:1]
O=C1NC(=O)[C@@]2(CCC[C@@H]2CNC(=O)C2(c3ccccc3)CCC2)N1 c1ccc(cc1)[*:1] O=C1NC(=O)[C@@]2(CCC[C@@H]2CNC(=O)C2(CCC2)[*:1])N1
O=C([O-])c1cccnc1-c1cccc(F)c1 O=C([O-])[*:1] Fc1cccc(c1)-c1ncccc1[*:1]
CC[NH2+][C@H](C)c1cccn1Cc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CC[NH2+][C@H](C)c1cccn1Cc1ccc(cc1)[*:1]
COC[C@@H](C)Cn1c(CCCl)nc2cc(Br)cnc21 ClCC[*:1] COC[C@@H](C)Cn1c(nc2cc(Br)cnc21)[*:1]
COC[C@@H](C)Cn1c(CCCl)nc2cc(Br)cnc21 COC[C@@H](C)[*:1] ClCCc1nc2cc(Br)cnc2n1C[*:1]
COC[C@@H](C)Cn1c(CCCl)nc2cc(Br)cnc21 COC[C@@H](C)C[*:1] ClCCc1nc2cc(Br)cnc2n1[*:1]
COC[C@@H](C)Cn1c(CCCl)nc2cc(Br)cnc21 COC[*:1] C[C@@H](Cn1c(CCCl)nc2cc(Br)cnc21)[*:1]
CCc1cc(NC(=O)C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)n(C)n1 CCc1cc(n(C)n1)[*:1] C[C@H](NC(=O)C(=O)N[*:1])[C@H](O)c1ccc(F)cc1
CCc1cc(NC(=O)C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)n(C)n1 Fc1ccc(cc1)[*:1] CCc1cc(NC(=O)C(=O)N[C@@H](C)[C@H](O)[*:1])n(C)n1
C=CCNC(=S)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 C=CC[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)N1CCN(CC1)C(=S)N[*:1]
CCCN1CCO[C@@H]([C@H](O)Cc2sccc2Br)C1 Brc1ccsc1[*:1] CCCN1CCO[C@H](C1)[C@H](O)C[*:1]
CCCN1CCO[C@@H]([C@H](O)Cc2sccc2Br)C1 CCC[*:1] O[C@H](Cc1sccc1Br)[C@H]1CN(CCO1)[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1-n1cnnn1 c1nnnn1[*:1] Cc1ccc(c(C)c1[*:1])S(=O)(=O)N1CCOCC1
CC(=O)c1ccc(SCC(=O)NC[C@H](C)c2ccsc2)c(F)c1 CC(=O)[*:1] C[C@@H](CNC(=O)CSc1ccc(cc1F)[*:1])c1ccsc1
CC(=O)c1ccc(SCC(=O)NC[C@H](C)c2ccsc2)c(F)c1 c1cc(cs1)[*:1] CC(=O)c1ccc(SCC(=O)NC[C@H](C)[*:1])c(F)c1
Cc1nccn1-c1cncc(N[C@@H]2CCCC[C@H]2n2cccn2)n1 c1cnn(c1)[*:1] Cc1nccn1-c1cncc(n1)N[C@@H]1CCCC[C@@H]1[*:1]
Cc1nccn1-c1cncc(N[C@@H]2CCCC[C@H]2n2cccn2)n1 Cc1nccn1[*:1] c1cnn(c1)[C@@H]1CCCC[C@H]1Nc1cncc(n1)[*:1]
O=S(=O)(Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc(F)cc1 Clc1cccc(c1)[*:1] O=S(=O)(Nc1cccc(c1)S(=O)(=O)N[*:1])c1ccc(F)cc1
O=S(=O)(Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(Nc1cccc(Cl)c1)c1cccc(c1)NS(=O)(=O)[*:1]
CCC(=O)N1CCc2cc(CNC(=O)NCCCOC)ccc21 COCCC[*:1] CCC(=O)N1CCc2cc(ccc21)CNC(=O)N[*:1]
CCC(=O)N1CCc2cc(CNC(=O)NCCCOC)ccc21 COC[*:1] CCC(=O)N1CCc2cc(ccc21)CNC(=O)NCC[*:1]
CCC(=O)N1CCc2cc(CNC(=O)NCCCOC)ccc21 COCC[*:1] CCC(=O)N1CCc2cc(ccc21)CNC(=O)NC[*:1]
Cc1ccc(-n2ccnc(SCC(=O)Nc3cc(Cl)ccc3C)c2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(Cl)cc1NC(=O)CSc1nccn(c1=O)[*:1]
Cc1ccc(-n2ccnc(SCC(=O)Nc3cc(Cl)ccc3C)c2=O)cc1C Cc1ccc(Cl)cc1[*:1] Cc1ccc(cc1C)-n1ccnc(SCC(=O)N[*:1])c1=O
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccc(Br)cc3)S2)cc1 Brc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C)C(=N[*:1])S1
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccc(Br)cc3)S2)cc1 CCOc1ccc(cc1)[*:1] CN1C(=O)C[C@H](S/C1=N/c1ccc(Br)cc1)C(=O)N[*:1]
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccc(Br)cc3)S2)cc1 CCO[*:1] CN1C(=O)C[C@H](S/C1=N/c1ccc(Br)cc1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)/C(=C\c1ccc(C2CC2)cc1)CO C1CC1[*:1] CC(C)/C(=C\c1ccc(cc1)[*:1])CO
CC(C)/C(=C\c1ccc(C2CC2)cc1)CO CC(C)[*:1] OC/C(=C/c1ccc(cc1)C1CC1)[*:1]
O=C(N[C@@H](C(=O)c1ccccc1)N1CCCC1)c1ccco1 c1coc(c1)[*:1] O=C(c1ccccc1)[C@H](NC(=O)[*:1])N1CCCC1
O=C(N[C@@H](C(=O)c1ccccc1)N1CCCC1)c1ccco1 C1CCN(C1)[*:1] O=C(N[C@@H](C(=O)c1ccccc1)[*:1])c1ccco1
O=C(N[C@@H](C(=O)c1ccccc1)N1CCCC1)c1ccco1 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)[*:1])N1CCCC1)c1ccco1
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](C)Oc1cccc(C=O)c1 O=Cc1cccc(c1)[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](C)O[*:1]
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](C)Oc1cccc(C=O)c1 O=Cc1cccc(c1)O[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](C)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl Cc1noc(C)c1[*:1] C[C@H](C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)[*:1]
COc1ccccc1[C@@H]1C(C(=O)Nc2cc(Cl)ccc2C)=C(C)Nc2ncnn21 COc1ccccc1[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)Nc1cc(Cl)ccc1C)[*:1]
COc1ccccc1[C@@H]1C(C(=O)Nc2cc(Cl)ccc2C)=C(C)Nc2ncnn21 Cc1ccc(Cl)cc1[*:1] COc1ccccc1[C@@H]1C(C(=O)N[*:1])=C(C)Nc2ncnn21
O=C(C[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1F Fc1ccccc1[*:1] O=C(C[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n21)N[*:1]
O=C(C[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(C[C@H]1C(=O)N(C[*:1])c2nc3ccccc3n21)Nc1ccccc1F
O=C(C[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1F c1ccc(cc1)C[*:1] O=C(C[C@H]1C(=O)N(c2nc3ccccc3n21)[*:1])Nc1ccccc1F
O=C(C[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] O=C1[C@H](C[*:1])n2c(nc3ccccc32)N1Cc1ccccc1
COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)CC[C@@H]2CCCO2)C3)cc1OC C1CO[C@@H](C1)CC[*:1] COc1ccc(cc1OC)-c1nnc2CN(C(=O)[*:1])[C@H]3CCCC[C@H]3n21
COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)CC[C@@H]2CCCO2)C3)cc1OC C1CO[C@@H](C1)C[*:1] COc1ccc(cc1OC)-c1nnc2CN(C(=O)C[*:1])[C@H]3CCCC[C@H]3n21
COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)CC[C@@H]2CCCO2)C3)cc1OC C1CO[C@@H](C1)[*:1] COc1ccc(cc1OC)-c1nnc2CN(C(=O)CC[*:1])[C@H]3CCCC[C@H]3n21
COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)CC[C@@H]2CCCO2)C3)cc1OC COc1ccc(cc1OC)[*:1] O=C(CC[C@@H]1CCCO1)N1Cc2nnc(n2[C@@H]2CCCC[C@@H]21)[*:1]
CCOc1ccc(C(=O)Nc2c[nH]cc(Br)c2=O)cn1 CCO[*:1] O=C(Nc1c[nH]cc(Br)c1=O)c1ccc(nc1)[*:1]
CC(C)[C@@H](CO)NC(=O)Cc1cccc(Br)c1 CC(C)[*:1] O=C(Cc1cccc(Br)c1)N[C@H](CO)[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)N[*:1]
CC(C)n1c(N2CCN(S(=O)(=O)C(C)C)CC2)nc2sc3c(c2c1=O)CCCC3 CC(C)[*:1] CC(C)S(=O)(=O)N1CCN(CC1)c1nc2sc3CCCCc3c2c(=O)n1[*:1]
CC(C)n1c(N2CCN(S(=O)(=O)C(C)C)CC2)nc2sc3c(c2c1=O)CCCC3 CC(C)[*:1] CC(C)n1c(nc2sc3CCCCc3c2c1=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCCN1CCC(=NNC(=O)c2csc(C)c2C)CC1 CCC[*:1] Cc1scc(C(=O)NN=C2CCN(CC2)[*:1])c1C
Cc1ocnc1CNC(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 Cc1ocnc1C[*:1] CC1CCC(CC1)NC(=O)CN1CCN(CC1)C(=O)N[*:1]
Cc1ocnc1CNC(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 Cc1ocnc1[*:1] CC1CCC(CC1)NC(=O)CN1CCN(CC1)C(=O)NC[*:1]
Cc1ocnc1CNC(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 CC1CCC(CC1)[*:1] Cc1ocnc1CNC(=O)N1CCN(CC1)CC(=O)N[*:1]
CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2nn(C(C)C)cc2c1 CNC(=O)[*:1] CC(C)n1cc2cc(ccc2n1)NC(=O)C(=O)N1CCC[C@@H]1[*:1]
CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2nn(C(C)C)cc2c1 CC(C)[*:1] CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2nn(cc2c1)[*:1]
NC(=O)[C@H]1COCCN1C[C@H](O)c1c(F)cccc1F NC(=O)[*:1] O[C@@H](CN1CCOC[C@@H]1[*:1])c1c(F)cccc1F
O=C(CCCn1ccnn1)N[C@H]1CCOc2ccccc21 c1cn(nn1)[*:1] O=C(CCC[*:1])N[C@H]1CCOc2ccccc21
O=C(CCCn1ccnn1)N[C@H]1CCOc2ccccc21 c1cn(C[*:1])nn1 O=C(CC[*:1])N[C@H]1CCOc2ccccc21
O=C(CCCn1ccnn1)N[C@H]1CCOc2ccccc21 c1cn(CC[*:1])nn1 O=C(C[*:1])N[C@H]1CCOc2ccccc21
C[C@H]1CCCN(C(=O)c2ccccc2OCc2cscn2)C1 c1nc(cs1)CO[*:1] C[C@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
C[C@H]1CCCN(C(=O)c2ccccc2OCc2cscn2)C1 c1nc(cs1)[*:1] C[C@H]1CCCN(C1)C(=O)c1ccccc1OC[*:1]
C[C@H]1CCCN(C(=O)c2ccccc2OCc2cscn2)C1 c1nc(cs1)C[*:1] C[C@H]1CCCN(C1)C(=O)c1ccccc1O[*:1]
Cn1cccc(C(=O)N2CCC(CNC(=O)c3c(F)cccc3F)CC2)c1=O Cn1cccc(c1=O)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1c(F)cccc1F
Cn1cccc(C(=O)N2CCC(CNC(=O)c3c(F)cccc3F)CC2)c1=O Fc1cccc(F)c1[*:1] Cn1cccc(C(=O)N2CCC(CC2)CNC(=O)[*:1])c1=O
CC(C)n1c([C@@H](C)NC(=O)Cc2cccc(F)c2)nc2cccnc21 Fc1cccc(c1)[*:1] CC(C)n1c(nc2cccnc21)[C@@H](C)NC(=O)C[*:1]
CC(C)n1c([C@@H](C)NC(=O)Cc2cccc(F)c2)nc2cccnc21 Fc1cccc(c1)C[*:1] CC(C)n1c(nc2cccnc21)[C@@H](C)NC(=O)[*:1]
CC(C)n1c([C@@H](C)NC(=O)Cc2cccc(F)c2)nc2cccnc21 CC(C)[*:1] C[C@@H](NC(=O)Cc1cccc(F)c1)c1nc2cccnc2n1[*:1]
C#CCN1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 CS(=O)(=O)[*:1] C#CCN1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
C#CCN1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 C#CC[*:1] CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(CC1)[*:1]
COc1ccc(N2C[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC2=O)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1CC(=O)N(C1)[*:1]
O=c1oc2ccccc2c(NCc2ccccc2)c1NS(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=c1oc2ccccc2c(NCc2ccccc2)c1NS(=O)(=O)[*:1]
O=c1oc2ccccc2c(NCc2ccccc2)c1NS(=O)(=O)c1cccs1 O=S(=O)(N[*:1])c1cccs1 O=c1oc2ccccc2c(NCc2ccccc2)c1[*:1]
O=c1oc2ccccc2c(NCc2ccccc2)c1NS(=O)(=O)c1cccs1 c1ccc(cc1)CN[*:1] O=c1oc2ccccc2c(c1NS(=O)(=O)c1cccs1)[*:1]
O=c1oc2ccccc2c(NCc2ccccc2)c1NS(=O)(=O)c1cccs1 c1ccc(cc1)[*:1] O=c1oc2ccccc2c(NC[*:1])c1NS(=O)(=O)c1cccs1
O=c1oc2ccccc2c(NCc2ccccc2)c1NS(=O)(=O)c1cccs1 c1ccc(cc1)C[*:1] O=c1oc2ccccc2c(N[*:1])c1NS(=O)(=O)c1cccs1
CC(=O)NC(C)(C)c1noc(-c2ccc([S@@](C)=O)cc2)n1 C[S@@](=O)[*:1] CC(=O)NC(C)(C)c1noc(n1)-c1ccc(cc1)[*:1]
CC(=O)NC(C)(C)c1noc(-c2ccc([S@@](C)=O)cc2)n1 CC(=O)NC(C)(C)[*:1] C[S@@](=O)c1ccc(cc1)-c1nc(no1)[*:1]
CC(=O)NC(C)(C)c1noc(-c2ccc([S@@](C)=O)cc2)n1 CC(=O)N[*:1] C[S@@](=O)c1ccc(cc1)-c1nc(no1)C(C)(C)[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)[C@@H](C)C(=O)N[C@H](C)[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)S(=O)(=O)[*:1]
CC[C@@H](Sc1nc(N)cc(N)n1)C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](Sc1nc(N)cc(N)n1)C(=O)N[C@H](C)[*:1]
Cc1ccc(C)c(-c2nc(NC(=O)Cc3ccccc3)sc2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1sc(nc1[*:1])NC(=O)Cc1ccccc1
Cc1ccc(C)c(-c2nc(NC(=O)Cc3ccccc3)sc2C)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)-c1nc(NC(=O)C[*:1])sc1C
Cc1ccc(C)c(-c2nc(NC(=O)Cc3ccccc3)sc2C)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)-c1nc(NC(=O)[*:1])sc1C
CCSCC[C@@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 CCSCC[*:1] C[C@@H](NC(=O)N[C@H](C)[*:1])c1cccc(C#N)c1
CCSCC[C@@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 CCS[*:1] C[C@H](CC[*:1])NC(=O)N[C@H](C)c1cccc(C#N)c1
CCSCC[C@@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 CCSCC[C@@H](C)[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(C#N)c1
CCSCC[C@@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1 CCSC[*:1] C[C@H](C[*:1])NC(=O)N[C@H](C)c1cccc(C#N)c1
C[C@H](S[C@@H](C)c1ncc(C(C)(C)C)o1)c1ccc(C#N)cc1 CC(C)(C)[*:1] C[C@H](S[C@@H](C)c1ncc(o1)[*:1])c1ccc(C#N)cc1
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)N(C[*:1])c1ccc(cc1)C(=O)Nc1ccccc1C(=O)[O-]
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 O=C([O-])c1ccccc1[*:1] CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(cc1)C(=O)N[*:1]
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 Clc1ccc(cc1)C[*:1] CS(=O)(=O)N(c1ccc(cc1)C(=O)Nc1ccccc1C(=O)[O-])[*:1]
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 O=C([O-])[*:1] CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(cc1)C(=O)Nc1ccccc1[*:1]
CC(C)Oc1cccc([C@@H]2CCC[C@H]2O)c1 CC(C)[*:1] O[C@@H]1CCC[C@H]1c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@@H]2CCC[C@H]2O)c1 CC(C)O[*:1] O[C@@H]1CCC[C@H]1c1cccc(c1)[*:1]
Cn1c(CNC(=O)C2CCCCC2)cc2ccccc21 C1CCC(CC1)[*:1] Cn1c(cc2ccccc21)CNC(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccccc2F)c1 Fc1ccccc1[*:1] CCN(CC)S(=O)(=O)c1ccc(OC)c(c1)C(=O)N[*:1]
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccccc2F)c1 CCN(CC)S(=O)(=O)[*:1] COc1ccc(cc1C(=O)Nc1ccccc1F)[*:1]
CC(C)C[C@H]1C[NH2+]CCN1Cc1cccc(O)c1 CC(C)[*:1] Oc1cccc(c1)CN1CC[NH2+]C[C@@H]1C[*:1]
CC(C)C[C@H]1C[NH2+]CCN1Cc1cccc(O)c1 CC(C)C[*:1] Oc1cccc(c1)CN1CC[NH2+]C[C@@H]1[*:1]
COCCSc1nnc(NC(=O)C2CCN(c3ccccc3)CC2)s1 COCC[*:1] O=C(Nc1nnc(S[*:1])s1)C1CCN(CC1)c1ccccc1
COCCSc1nnc(NC(=O)C2CCN(c3ccccc3)CC2)s1 COC[*:1] O=C(Nc1nnc(SC[*:1])s1)C1CCN(CC1)c1ccccc1
COCCSc1nnc(NC(=O)C2CCN(c3ccccc3)CC2)s1 COCCS[*:1] O=C(Nc1nnc(s1)[*:1])C1CCN(CC1)c1ccccc1
COCCSc1nnc(NC(=O)C2CCN(c3ccccc3)CC2)s1 c1ccc(cc1)[*:1] COCCSc1nnc(NC(=O)C2CCN(CC2)[*:1])s1
c1ccc(-c2cc(-c3ccccc3)[n+](-c3nccs3)c(-c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1cc(cc(-c2ccccc2)[n+]1-c1nccs1)[*:1]
c1ccc(-c2cc(-c3ccccc3)[n+](-c3nccs3)c(-c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1cc(-c2ccccc2)[n+](-c2nccs2)c(c1)[*:1]
Cc1ccccc1-c1noc(-c2ccccc2C(=O)NC[C@@H]2CCCO2)n1 Cc1ccccc1[*:1] O=C(NC[C@@H]1CCCO1)c1ccccc1-c1nc(no1)[*:1]
CCC(C)(C)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)OC[*:1] CCC(C)(C)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CCC(C)(C)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)O[*:1] CCC(C)(C)NC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
CCC(C)(C)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)[*:1] CCC(C)(C)NC(=O)[C@H]1CCCN(C1)C(=O)CO[*:1]
CCC(C)(C)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 CCC(C)(C)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)COc1ccccc1
CCC(C)(C)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 CCC(C)(C)NC(=O)[*:1] O=C(COc1ccccc1)N1CCC[C@@H](C1)[*:1]
Cc1ccc(Cc2nnc(NC(=O)/C=C/c3c(C)nn(C)c3C)s2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1/C=C/C(=O)Nc1nnc(C[*:1])s1
Cc1ccc(Cc2nnc(NC(=O)/C=C/c3c(C)nn(C)c3C)s2)cc1 Cc1nn(C)c(C)c1[*:1] Cc1ccc(cc1)Cc1nnc(NC(=O)C=C[*:1])s1
Cc1ccc(Cc2nnc(NC(=O)/C=C/c3c(C)nn(C)c3C)s2)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(C)c(C)c1/C=C/C(=O)Nc1nnc(s1)[*:1]
CC1(C)CCC[C@@]1(CC(=O)[O-])[NH+]1CCCCC1 O=C([O-])[*:1] CC1(C)CCC[C@@]1(C[*:1])[NH+]1CCCCC1
CC1(C)CCC[C@@]1(CC(=O)[O-])[NH+]1CCCCC1 O=C([O-])C[*:1] CC1(C)CCC[C@]1([NH+]1CCCCC1)[*:1]
CC(=O)N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)CC1 Clc1cccc(c1)[*:1] CC(=O)N1CCN(CC1)C(=O)c1cc(no1)[*:1]
COCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] COCCCNC(=O)c1cc(cc(c1C)[N+](=O)[O-])[*:1]
COCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C COCC[*:1] Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC[*:1]
COCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C COCCC[*:1] Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N[*:1]
COCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] COCCCNC(=O)c1cc(cc(c1C)[*:1])[N+](=O)[O-]
COCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C COC[*:1] Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC[*:1]
Cc1cc(NC(=O)CSc2nc(Nc3ccccc3)c3ccccc3n2)no1 c1ccc(cc1)N[*:1] Cc1cc(no1)NC(=O)CSc1nc(c2ccccc2n1)[*:1]
Cc1cc(NC(=O)CSc2nc(Nc3ccccc3)c3ccccc3n2)no1 Cc1cc(no1)NC(=O)[*:1] c1ccc(cc1)Nc1nc(nc2ccccc12)SC[*:1]
Cc1cc(NC(=O)CSc2nc(Nc3ccccc3)c3ccccc3n2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CSc1nc(N[*:1])c2ccccc2n1
Cc1cc(NC(=O)CSc2nc(Nc3ccccc3)c3ccccc3n2)no1 Cc1cc(no1)[*:1] O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)N[*:1]
N#Cc1cccc(Cl)c1N1CCC(NC(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] N#Cc1cccc(Cl)c1N1CCC(CC1)NC(=O)[*:1]
O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cnoc1-c1ccco1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)c1cnoc1[*:1]
COc1ccc([C@@H](C)N(C)C(=O)c2cccc(-n3cnnc3)c2)cc1 COc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)c1cccc(c1)-n1cnnc1)[*:1]
COc1ccc([C@@H](C)N(C)C(=O)c2cccc(-n3cnnc3)c2)cc1 c1nncn1[*:1] COc1ccc(cc1)[C@@H](C)N(C)C(=O)c1cccc(c1)[*:1]
C#CCNC(=O)CN1C(=O)N[C@@](CCCC)(c2ccccc2)C1=O c1ccc(cc1)[*:1] C#CCNC(=O)CN1C(=O)N[C@@](CCCC)(C1=O)[*:1]
C#CCNC(=O)CN1C(=O)N[C@@](CCCC)(c2ccccc2)C1=O C#CCNC(=O)C[*:1] CCCC[C@]1(NC(=O)N(C1=O)[*:1])c1ccccc1
C#CCNC(=O)CN1C(=O)N[C@@](CCCC)(c2ccccc2)C1=O C#CCNC(=O)[*:1] CCCC[C@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
C#CCNC(=O)CN1C(=O)N[C@@](CCCC)(c2ccccc2)C1=O C#CC[*:1] CCCC[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1
C#CCNC(=O)CN1C(=O)N[C@@](CCCC)(c2ccccc2)C1=O CCCC[*:1] C#CCNC(=O)CN1C(=O)N[C@](C1=O)(c1ccccc1)[*:1]
C#CCNC(=O)CN1C(=O)N[C@@](CCCC)(c2ccccc2)C1=O CCC[*:1] C#CCNC(=O)CN1C(=O)N[C@](C[*:1])(C1=O)c1ccccc1
Cc1ccc(C)c([C@@H](C)[C@](C)(O)C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)[C@@H](C)[C@](C)(O)[*:1]
CC(C)CC[C@H](C)NC(=O)C(=O)Nc1ccc([S@](C)=O)c(F)c1 CC(C)C[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc(c(F)c1)[S@](C)=O
CC(C)CC[C@H](C)NC(=O)C(=O)Nc1ccc([S@](C)=O)c(F)c1 CC(C)[*:1] C[C@@H](CC[*:1])NC(=O)C(=O)Nc1ccc(c(F)c1)[S@](C)=O
CC(C)CC[C@H](C)NC(=O)C(=O)Nc1ccc([S@](C)=O)c(F)c1 CC(C)CC[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(c(F)c1)[S@](C)=O)[*:1]
CC(C)CC[C@H](C)NC(=O)C(=O)Nc1ccc([S@](C)=O)c(F)c1 CC(C)CC[C@H](C)[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)N[*:1]
CC(C)CC[C@H](C)NC(=O)C(=O)Nc1ccc([S@](C)=O)c(F)c1 C[S@](=O)[*:1] CC(C)CC[C@H](C)NC(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2c(c1)CCO2 CC(C)[*:1] c1cn(c[nH+]1)CCC[NH2+][C@@H](c1ccc2OCCc2c1)[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F Brc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(Br)cc1F
O=C(CCCC(=O)c1ccccc1)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] O=C(CCCC(=O)c1ccccc1)N[*:1]
O=C(CCCC(=O)c1ccccc1)Nc1ccc(Cl)cn1 c1ccc(cc1)[*:1] O=C(CCCC(=O)[*:1])Nc1ccc(Cl)cn1
CC(C)(C)C(=O)NCCC(=O)Nc1ccc(C#N)cc1 CC(C)(C)[*:1] N#Cc1ccc(cc1)NC(=O)CCNC(=O)[*:1]
CN(CCCOc1ccc(Cl)cc1)CN1C(=O)C(=O)N(C)C1=O Clc1ccc(cc1)[*:1] CN(CCCO[*:1])CN1C(=O)C(=O)N(C)C1=O
COc1cc(OC)c(NC(=O)c2csc(-c3ccoc3)n2)cc1F c1cc(co1)[*:1] COc1cc(OC)c(cc1F)NC(=O)c1csc(n1)[*:1]
CCCNC(=O)Nc1cc(CN2C(=O)[C@@H]3CCCN3C2=O)ccc1OC CCCNC(=O)N[*:1] COc1ccc(cc1[*:1])CN1C(=O)[C@@H]2CCCN2C1=O
CCCNC(=O)Nc1cc(CN2C(=O)[C@@H]3CCCN3C2=O)ccc1OC CCC[*:1] COc1ccc(cc1NC(=O)N[*:1])CN1C(=O)[C@@H]2CCCN2C1=O
COC(=O)C(C)(C)[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2C)C1 COC(=O)[*:1] Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2C)C1 COC(=O)C(C)(C)[*:1] Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H](C1)[*:1]
CCCN1Cc2cccc(C(=O)Nc3cc(Cl)ccc3OC)c2C1=O CCC[*:1] COc1ccc(Cl)cc1NC(=O)c1cccc2CN(C(=O)c21)[*:1]
C[C@H](NC(=O)N(C)C1CCC1)c1cccc(Cl)c1 C1CC(C1)[*:1] C[C@H](NC(=O)N(C)[*:1])c1cccc(Cl)c1
CC[C@@H](CSC)N(C)C(=O)Cc1cc(Br)ccc1OC CSC[*:1] CC[C@@H](N(C)C(=O)Cc1cc(Br)ccc1OC)[*:1]
NC(=O)c1ccc(NC(=O)c2cc(F)ccc2Br)c(F)c1 NC(=O)[*:1] O=C(Nc1ccc(cc1F)[*:1])c1cc(F)ccc1Br
CN(CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C(=O)OC(C)(C)C Fc1ccc(cc1)[*:1] CN(CC(=O)N[C@H](C1CCCC1)[*:1])C(=O)OC(C)(C)C
CN(CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C(=O)O[*:1]
CN(CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C(=O)OC(C)(C)C C1CCC(C1)[*:1] CN(CC(=O)N[C@H](c1ccc(F)cc1)[*:1])C(=O)OC(C)(C)C
Cc1ccc(C)c(NC(=O)c2cccc(OC(C)C)c2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)NC(=O)c1cccc(c1)O[*:1]
Cc1ccc(C)c(NC(=O)c2cccc(OC(C)C)c2)c1 CC(C)O[*:1] Cc1ccc(C)c(c1)NC(=O)c1cccc(c1)[*:1]
COC[C@@H](O)CN(C)C(=O)C(=O)Nc1cccc(F)c1C COC[*:1] Cc1c(F)cccc1NC(=O)C(=O)N(C)C[C@H](O)[*:1]
COC[C@@H](O)CN(C)C(=O)C(=O)Nc1cccc(F)c1C COC[C@@H](O)[*:1] Cc1c(F)cccc1NC(=O)C(=O)N(C)C[*:1]
O=C(c1cccc2ccccc12)N1CCSc2nnc(COc3ccc(F)cc3)n21 Fc1ccc(cc1)O[*:1] O=C(c1cccc2ccccc12)N1CCSc2nnc(C[*:1])n21
O=C(c1cccc2ccccc12)N1CCSc2nnc(COc3ccc(F)cc3)n21 Fc1ccc(cc1)OC[*:1] O=C(c1cccc2ccccc12)N1CCSc2nnc(n21)[*:1]
O=C(c1cccc2ccccc12)N1CCSc2nnc(COc3ccc(F)cc3)n21 c1ccc2c(cccc2c1)[*:1] O=C(N1CCSc2nnc(COc3ccc(F)cc3)n21)[*:1]
O=C(c1cccc2ccccc12)N1CCSc2nnc(COc3ccc(F)cc3)n21 Fc1ccc(cc1)[*:1] O=C(c1cccc2ccccc12)N1CCSc2nnc(CO[*:1])n21
CC[NH+]1CCN(C(=O)NCc2ccc(OC3CCCC3)nc2)CC1 C1CCC(C1)O[*:1] CC[NH+]1CCN(CC1)C(=O)NCc1ccc(nc1)[*:1]
CC[NH+]1CCN(C(=O)NCc2ccc(OC3CCCC3)nc2)CC1 C1CCC(C1)[*:1] CC[NH+]1CCN(CC1)C(=O)NCc1ccc(nc1)O[*:1]
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)[C@@H](C#N)c2ccc(F)cn2)C1 CC(C)(C)OC(=O)N[*:1] N#C[C@H](C(=O)[C@H]1CCC[C@H](C1)[*:1])c1ccc(F)cn1
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)[C@@H](C#N)c2ccc(F)cn2)C1 Fc1ccc(nc1)[*:1] CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)[C@@H](C#N)[*:1]
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)[C@@H](C#N)c2ccc(F)cn2)C1 CC(C)(C)[*:1] N#C[C@H](C(=O)[C@H]1CCC[C@H](C1)NC(=O)O[*:1])c1ccc(F)cn1
C[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1F)[C@H]1CCCO1 Fc1ccccc1C[*:1] C[C@@H](NC(=O)c1cc2ccccc2n1[*:1])[C@H]1CCCO1
C[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1F)[C@H]1CCCO1 Fc1ccccc1[*:1] C[C@@H](NC(=O)c1cc2ccccc2n1C[*:1])[C@H]1CCCO1
CC(C)N1C(N)=[NH+]C[C@]1(C)c1cc2cc(Br)ccc2o1 CC(C)[*:1] C[C@@]1(C[NH+]=C(N)N1[*:1])c1cc2cc(Br)ccc2o1
COCCN1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)CC1=O Clc1ccc(s1)[*:1] COCCN1CCN(CC1=O)C(=O)N[C@H](C)[*:1]
COCCN1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)CC1=O COC[*:1] C[C@@H](NC(=O)N1CCN(C[*:1])C(=O)C1)c1ccc(Cl)s1
COCCN1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)CC1=O COCC[*:1] C[C@@H](NC(=O)N1CCN(C(=O)C1)[*:1])c1ccc(Cl)s1
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C[C@@H]1O FC(F)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)C(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@H]1CCCc2c1cnn2C Clc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)C(=O)N[C@H]1CCCc2c1cnn2C
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[C@H]1CCCc2c1cnn2C Clc1ccc(cc1)C[*:1] C[C@H](N(C)C(=O)N[C@H]1CCCc2c1cnn2C)[*:1]
COC(=O)CCCNC(=O)c1cc(Cl)c(I)cc1OC COC(=O)[*:1] COc1cc(I)c(Cl)cc1C(=O)NCCC[*:1]
COC(=O)CCCNC(=O)c1cc(Cl)c(I)cc1OC COC(=O)CC[*:1] COc1cc(I)c(Cl)cc1C(=O)NC[*:1]
COC(=O)CCCNC(=O)c1cc(Cl)c(I)cc1OC COC(=O)C[*:1] COc1cc(I)c(Cl)cc1C(=O)NCC[*:1]
CC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)/C=C(\C)N1N=C(C[C@H]1c1cccc(c1)[*:1])c1ccccc1
CC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 CC(=O)[*:1] CC(=C[*:1])N1N=C(C[C@H]1c1cccc(c1)[N+](=O)[O-])c1ccccc1
CC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 CC(=O)C=C(C)[*:1] O=[N+]([O-])c1cccc(c1)[C@@H]1CC(=NN1[*:1])c1ccccc1
CC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CC(=O)/C=C(\C)N1N=C(C[C@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)Cc1ccccc1)N[*:1]
O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc(Br)cc1 c1ccc(cc1)C[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1ccc(Br)cc1
O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)C[*:1])Nc1ccc(Br)cc1
O=C(NCc1ccc(Cl)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 Clc1ccc(cc1)C[*:1] O=C(N[*:1])c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)c1ccc2OCOc2c1
O=C(NCc1ccc(Cl)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 O=C(NCc1ccc(Cl)cc1)[*:1] FC(F)(F)[C@@H]1C[C@@H](Nc2cc(nn21)[*:1])c1ccc2OCOc2c1
O=C(NCc1ccc(Cl)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 FC(F)(F)[*:1] O=C(NCc1ccc(Cl)cc1)c1cc2N[C@H](C[C@@H](n2n1)[*:1])c1ccc2OCOc2c1
O=C(NCc1ccc(Cl)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 c1cc2OCOc2cc1[*:1] O=C(NCc1ccc(Cl)cc1)c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)F)[*:1]
O=C(NCc1ccc(Cl)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)c1ccc2OCOc2c1
C=CCN/C(S)=C(\C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccccc1 c1cc[n+](cc1)[*:1] C=CCNC(S)=C(C(=O)c1ccc(C)c(c1)[N+](=O)[O-])[*:1]
C=CCN/C(S)=C(\C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccccc1 O=[N+]([O-])[*:1] C=CCN/C(S)=C(\C(=O)c1ccc(C)c(c1)[*:1])[n+]1ccccc1
C=CCN/C(S)=C(\C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccccc1 C=CCN[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)/C(=C(/S)[*:1])[n+]1ccccc1
C=CCN/C(S)=C(\C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccccc1 C=CC[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)/C(=C(/S)N[*:1])[n+]1ccccc1
CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(c1)[*:1]
CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 Clc1ccc(c(Cl)c1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)S(=O)(=O)N(C)C
CS[C@H](C)C[NH2+][C@@H](C)c1c(C)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] CS[C@H](C)C[NH2+][C@@H](C)c1c(C)nn(c1C)[*:1]
Cc1cnc2c(c1)nc(CCl)n2[C@@H](C)c1nc(C)cs1 Cc1csc(n1)[*:1] Cc1cnc2c(c1)nc(CCl)n2[C@@H](C)[*:1]
CCO[C@H]1C[C@@H]1C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 CCO[*:1] CN(Cc1cccc(c1)NC(=O)[C@H]1C[C@@H]1[*:1])C(=O)C(F)(F)F
CCO[C@H]1C[C@@H]1C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 CN(C(=O)C(F)(F)F)[*:1] CCO[C@H]1C[C@@H]1C(=O)Nc1cccc(c1)C[*:1]
CCO[C@H]1C[C@@H]1C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 FC(F)(F)[*:1] CCO[C@H]1C[C@@H]1C(=O)Nc1cccc(c1)CN(C)C(=O)[*:1]
CC(C)c1ccc(NCc2nnc(-c3ccccc3)n2C)cc1 CC(C)[*:1] Cn1c(CNc2ccc(cc2)[*:1])nnc1-c1ccccc1
CC(C)c1ccc(NCc2nnc(-c3ccccc3)n2C)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NCc1nnc(n1C)[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)c1cccc(c1NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1])C(C)C
CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] CC(C)c1cccc(c1NC(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(cc1)[*:1])C(C)C
CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O CC(C)[*:1] CC(C)c1cccc(c1NC(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C(N)=O)C1 NC(=O)[*:1] CCS[C@H]1CC[C@@H](C1)Nc1ccc(cc1[*:1])[N+](=O)[O-]
CCS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C(N)=O)C1 O=[N+]([O-])[*:1] CCS[C@H]1CC[C@@H](C1)Nc1ccc(cc1C(N)=O)[*:1]
CCS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C(N)=O)C1 CCS[*:1] NC(=O)c1cc(ccc1N[C@H]1CC[C@@H](C1)[*:1])[N+](=O)[O-]
CO[C@@H](CNC(=O)N1CC[C@@H](C)[C@H](O)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)N1CC[C@@H](C)[C@H](O)C1)[*:1]
Cn1c(C[NH+]2CCC(c3cc[nH]n3)CC2)cc(=O)n(C)c1=O c1cc(n[nH]1)[*:1] Cn1c(cc(=O)n(C)c1=O)C[NH+]1CCC(CC1)[*:1]
COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccc(OC)c(OC)c3)n2)cc1 COc1ccc(cc1OC)[*:1] COc1ccc(cc1)-c1ccc(=O)n(n1)[C@@H](C)C(=O)N[*:1]
COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccc(OC)c(OC)c3)n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)[C@H](C)n1nc(ccc1=O)[*:1]
O=C(Cc1c[nH]c2cc(F)ccc12)NCc1csc(C2CC2)n1 C1CC1[*:1] O=C(Cc1c[nH]c2cc(F)ccc12)NCc1csc(n1)[*:1]
CCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1cccc(OC)c1 CCC[*:1] COc1cccc(c1)NC(=O)N1CCn2c(C)ccc2[C@H]1[*:1]
CCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1cccc(OC)c1 COc1cccc(c1)[*:1] CCC[C@@H]1c2ccc(C)n2CCN1C(=O)N[*:1]
CN[C@@]1(C(=O)OC)CCC[C@@H]1CCSc1ncccn1 COC(=O)[*:1] CN[C@]1(CCC[C@@H]1CCSc1ncccn1)[*:1]
CN[C@@]1(C(=O)OC)CCC[C@@H]1CCSc1ncccn1 c1cnc(nc1)[*:1] CN[C@]1(CCC[C@@H]1CCS[*:1])C(=O)OC
Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c(C)c1Br Cc1nn(c(C)c1Br)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccc(cc1)C[*:1]
Fc1cccc(OC(F)F)c1CNc1nnnn1-c1ccccc1 FC(F)O[*:1] Fc1cccc(c1CNc1nnnn1-c1ccccc1)[*:1]
Fc1cccc(OC(F)F)c1CNc1nnnn1-c1ccccc1 FC(F)[*:1] Fc1cccc(O[*:1])c1CNc1nnnn1-c1ccccc1
Fc1cccc(OC(F)F)c1CNc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] Fc1cccc(OC(F)F)c1CNc1nnnn1[*:1]
CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccccc3Br)N2C1=O CC(C)OC(=O)[*:1] CC[C@@H]1SC2=NC(C)=C([C@H](c3ccccc3Br)N2C1=O)[*:1]
CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccccc3Br)N2C1=O Brc1ccccc1[*:1] CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](N2C1=O)[*:1]
CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccccc3Br)N2C1=O CC(C)[*:1] CC[C@@H]1SC2=NC(C)=C(C(=O)O[*:1])[C@H](c3ccccc3Br)N2C1=O
CC[C@H](C)NC(=O)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 CC[C@H](C)NC(=O)[*:1] c1ccc(cc1)Oc1cc(ncn1)-c1cccc(c1)[*:1]
CC[C@H](C)NC(=O)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1cccc(c1)-c1cc(ncn1)O[*:1]
CC[C@H](C)NC(=O)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 c1ccc(cc1)O[*:1] CC[C@H](C)NC(=O)c1cccc(c1)-c1cc(ncn1)[*:1]
CC[C@H](C)NC(=O)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 CC[C@H](C)[*:1] O=C(N[*:1])c1cccc(c1)-c1cc(ncn1)Oc1ccccc1
COc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 COc1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2[*:1]
Cc1ccc(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)c(C)n1 Cc1ccc(c(C)n1)[*:1] C[NH+]1CCN(CC1)C(=O)Cc1ccc(cc1)NC(=O)[*:1]
COc1cccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)c1 Clc1ccccc1C[*:1] COc1cccc(c1)NC(=O)CSc1nccn1[*:1]
COc1cccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1cccc(c1)NC(=O)CSc1nccn1C[*:1]
COc1cccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)c1 COc1cccc(c1)[*:1] O=C(CSc1nccn1Cc1ccccc1Cl)N[*:1]
CCCC[C@H](C(=O)OC)[C@@H](O)c1ccc(Br)cc1 CCCC[*:1] COC(=O)[C@H]([C@@H](O)c1ccc(Br)cc1)[*:1]
CCCC[C@H](C(=O)OC)[C@@H](O)c1ccc(Br)cc1 CCC[*:1] COC(=O)[C@@H](C[*:1])[C@@H](O)c1ccc(Br)cc1
CCCC[C@H](C(=O)OC)[C@@H](O)c1ccc(Br)cc1 COC(=O)[*:1] CCCC[C@H]([C@@H](O)c1ccc(Br)cc1)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3cccs3)CC2)c1 O=C(N1CCCCC1)[*:1] Cc1cccc(c1)C(=O)N[C@H](C1CCN(CC1)C(=O)c1cccs1)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3cccs3)CC2)c1 Cc1cccc(c1)C(=O)N[*:1] O=C(c1cccs1)N1CCC(CC1)[C@@H](C(=O)N1CCCCC1)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3cccs3)CC2)c1 Cc1cccc(c1)[*:1] O=C(c1cccs1)N1CCC(CC1)[C@H](NC(=O)[*:1])C(=O)N1CCCCC1
Cc1cccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3cccs3)CC2)c1 c1csc(c1)[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(CC1)C(=O)[*:1]
COc1cc2c(cc1OC)[C@H](c1ccc(C)c(C)c1)C1=C(CCCC1=O)N2 Cc1ccc(cc1C)[*:1] COc1cc2NC3CCCC(=O)C=3[C@@H](c2cc1OC)[*:1]
CCOc1ccc(-c2cc(=O)n(Cc3cc(C)ccc3C)cn2)cc1 CCO[*:1] Cc1ccc(C)c(c1)Cn1cnc(cc1=O)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2cc(=O)n(Cc3cc(C)ccc3C)cn2)cc1 Cc1ccc(C)c(c1)[*:1] CCOc1ccc(cc1)-c1cc(=O)n(cn1)C[*:1]
Cc1c(C(=O)N(C)C(C)C)oc2c(C)cccc12 CC(C)[*:1] Cc1c(oc2c(C)cccc12)C(=O)N(C)[*:1]
O=C(NCC1(O)CCOCC1)C(c1ccccc1)c1ccccc1 OC1(CCOCC1)[*:1] O=C(NC[*:1])C(c1ccccc1)c1ccccc1
O=C(NCC1(O)CCOCC1)C(c1ccccc1)c1ccccc1 OC1(CCOCC1)C[*:1] O=C(N[*:1])C(c1ccccc1)c1ccccc1
O=C(NCC1(O)CCOCC1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC1(O)CCOCC1)C(c1ccccc1)[*:1]
CC[C@@H](C)CN(CC)C(=O)[C@@H](Br)C(C)C CC[C@@H](C)C[*:1] CCN(C(=O)[C@@H](Br)C(C)C)[*:1]
CC[C@@H](C)CN(CC)C(=O)[C@@H](Br)C(C)C CC(C)[C@H](Br)[*:1] CC[C@@H](C)CN(CC)C(=O)[*:1]
CC[C@@H](C)CN(CC)C(=O)[C@@H](Br)C(C)C CC[C@@H](C)[*:1] CCN(C[*:1])C(=O)[C@@H](Br)C(C)C
CC[C@@H](C)CN(CC)C(=O)[C@@H](Br)C(C)C CC(C)[*:1] CC[C@@H](C)CN(CC)C(=O)[C@@H](Br)[*:1]
CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)c1ccco1 c1coc(c1)[*:1] CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 CN(C)S(=O)(=O)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CCc1cnc(CCNC(=O)NNC(=O)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCc1cnc(CCNC(=O)NNC(=O)[*:1])s1
CCc1cnc(CCNC(=O)NNC(=O)c2ccc(Cl)cc2)s1 CCc1cnc(s1)[*:1] O=C(NCC[*:1])NNC(=O)c1ccc(Cl)cc1
Cc1cccc(OCCCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 Cc1cccc(c1)[*:1] O=C(CCCO[*:1])N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl
Cc1cccc(OCCCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 Cc1cccc(c1)OCC[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl
Cc1cccc(OCCCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 Cc1cccc(c1)OC[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl
Cc1cccc(OCCCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 Clc1cccc(Cl)c1[*:1] Cc1cccc(c1)OCCCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(OCCCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 Cc1cccc(c1)O[*:1] O=C(CCC[*:1])N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl
Cc1nc([C@H]2CCCN2C(=O)c2cnn(C)c2)nc2c1CC(=O)N2CCc1ccccc1F Fc1ccccc1CC[*:1] Cc1nc(nc2c1CC(=O)N2[*:1])[C@H]1CCCN1C(=O)c1cnn(C)c1
Cc1nc([C@H]2CCCN2C(=O)c2cnn(C)c2)nc2c1CC(=O)N2CCc1ccccc1F Fc1ccccc1C[*:1] Cc1nc(nc2c1CC(=O)N2C[*:1])[C@H]1CCCN1C(=O)c1cnn(C)c1
Cc1nc([C@H]2CCCN2C(=O)c2cnn(C)c2)nc2c1CC(=O)N2CCc1ccccc1F Fc1ccccc1[*:1] Cc1nc(nc2c1CC(=O)N2CC[*:1])[C@H]1CCCN1C(=O)c1cnn(C)c1
Cc1nc([C@H]2CCCN2C(=O)c2cnn(C)c2)nc2c1CC(=O)N2CCc1ccccc1F Cn1cc(cn1)[*:1] Cc1nc(nc2c1CC(=O)N2CCc1ccccc1F)[C@H]1CCCN1C(=O)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)Nc1ccccc1OC CCC[*:1] COc1ccccc1N[C@H](C)C(=O)N[C@@H](C)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)Nc1ccccc1OC CCC[C@H](C)[*:1] COc1ccccc1N[C@H](C)C(=O)N[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)Cc3cncs3)cc2)n1 c1ncc(C[*:1])s1 Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N[C@@H](C)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)Cc3cncs3)cc2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](Cc1cncs1)NC(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)Cc3cncs3)cc2)n1 c1ncc(s1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N[C@@H](C)C[*:1]
C[C@H](C(=O)NN)[C@@H](C)n1ccc([N+](=O)[O-])n1 NNC(=O)[*:1] C[C@H]([C@@H](C)n1ccc(n1)[N+](=O)[O-])[*:1]
C[C@H](C(=O)NN)[C@@H](C)n1ccc([N+](=O)[O-])n1 O=[N+]([O-])[*:1] C[C@H](C(=O)NN)[C@@H](C)n1ccc(n1)[*:1]
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cccnc3)ccc21 c1cncc(c1)[*:1] CCn1c2ccccc2c2cc(/C=N/NC(=O)[*:1])ccc21
CC1(C)CN(CC(=O)NC(=O)NC2CCCCC2)CCS1 C1CCC(CC1)[*:1] CC1(C)CN(CCS1)CC(=O)NC(=O)N[*:1]
C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1Cc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1Cc1cccc(c1)[*:1]
CCN1CCO[C@@H](C(=O)Nc2ccccc2Sc2nccn2C)C1 Cn1ccnc1S[*:1] CCN1CCO[C@H](C1)C(=O)Nc1ccccc1[*:1]
CCN1CCO[C@@H](C(=O)Nc2ccccc2Sc2nccn2C)C1 Cn1ccnc1[*:1] CCN1CCO[C@H](C1)C(=O)Nc1ccccc1S[*:1]
CCCC(=O)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] CCCC(=O)Nc1ccc(cc1)S[*:1]
CCCC(=O)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] CCCC(=O)Nc1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(SC(F)F)cc1 CCC[*:1] O=C(Nc1ccc(cc1)SC(F)F)[*:1]
CCOC(=O)c1cc(OCC)c(Br)c(OCC)c1 CCO[*:1] CCOC(=O)c1cc(OCC)c(Br)c(c1)[*:1]
CCOC(=O)c1cc(OCC)c(Br)c(OCC)c1 CCOC(=O)[*:1] CCOc1cc(cc(OCC)c1Br)[*:1]
Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)nn1 Cc1ccc(nn1)[*:1] NC(=O)c1ccc(cc1)C[NH2+][C@H]1CCCN(C1)[*:1]
Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)nn1 NC(=O)[*:1] Cc1ccc(nn1)N1CCC[C@@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)NNC(=O)[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1OCC(F)(F)F FC(F)(F)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1OC[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1OCC(F)(F)F FC(F)(F)CO[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1OCC(F)(F)F FC(F)(F)C[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1O[*:1]
N#Cc1ccc(C(=O)NC[C@H]2CC[C@H](C(=O)[O-])O2)cc1 O=C([O-])[*:1] N#Cc1ccc(cc1)C(=O)NC[C@H]1CC[C@H](O1)[*:1]
CCN(CC)S(=O)(=O)N(C)[C@@H](C)c1ccco1 c1coc(c1)[*:1] CCN(CC)S(=O)(=O)N(C)[C@@H](C)[*:1]
O=S(=O)(NCc1ccco1)c1cc(Br)c2cccc3c2c1CCC3 c1coc(c1)[*:1] O=S(=O)(NC[*:1])c1cc(Br)c2cccc3CCCc1c32
O=S(=O)(NCc1ccco1)c1cc(Br)c2cccc3c2c1CCC3 c1coc(c1)C[*:1] O=S(=O)(N[*:1])c1cc(Br)c2cccc3CCCc1c32
COc1ccc(OC)c(CN2CCc3nc(N4CCCC4)ncc3C2)c1 C1CCN(C1)[*:1] COc1ccc(OC)c(c1)CN1CCc2nc(ncc2C1)[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1Cl Clc1ccccc1[*:1] Cc1noc(C)c1C[C@@H](C)NC(=O)c1c[nH]nc1[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1Cl Cc1noc(C)c1C[*:1] C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1Cl Cc1noc(C)c1[*:1] C[C@H](C[*:1])NC(=O)c1c[nH]nc1-c1ccccc1Cl
C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C(C)(C)CO1 C1CCC(C1)[*:1] C[C@@H]1CN(C(=O)[C@@H]2CCCN(C2)C(=O)N[*:1])C(C)(C)CO1
COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N2CCCN(C(N)=O)CC2)cc1 COc1ccc(cc1)[*:1] NC(=O)N1CCCN(CC1)C(=O)c1c2CCC(=C[*:1])c2nc2ccccc12
COc1cc(OC)cc([C@H]2CCN(Cc3ccnc(Cl)c3)C2)c1 Clc1cc(ccn1)[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)C[*:1])OC
CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(OCC(F)F)n1 FC(F)C[*:1] CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(n1)O[*:1]
CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(OCC(F)F)n1 FC(F)[*:1] CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(n1)OC[*:1]
CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(OCC(F)F)n1 FC(F)CO[*:1] CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(n1)[*:1]
CC(=O)NCCNC(=O)N1CCN(Cc2ccon2)CC1 CC(=O)N[*:1] O=C(NCC[*:1])N1CCN(CC1)Cc1ccon1
CC(=O)NCCNC(=O)N1CCN(Cc2ccon2)CC1 CC(=O)NC[*:1] O=C(NC[*:1])N1CCN(CC1)Cc1ccon1
CC(=O)NCCNC(=O)N1CCN(Cc2ccon2)CC1 c1cc(C[*:1])no1 CC(=O)NCCNC(=O)N1CCN(CC1)[*:1]
CC(=O)NCCNC(=O)N1CCN(Cc2ccon2)CC1 c1cc(no1)[*:1] CC(=O)NCCNC(=O)N1CCN(CC1)C[*:1]
CC(=O)NCCNC(=O)N1CCN(Cc2ccon2)CC1 CC(=O)NCC[*:1] O=C(N[*:1])N1CCN(CC1)Cc1ccon1
O=S(=O)(NCCc1ccn(-c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCCc1ccn(n1)-c1ccccc1)[*:1]
O=S(=O)(NCCc1ccn(-c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCCc1ccn(n1)[*:1])c1ccccc1
CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ncc(C#N)c(N)n2)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)Sc2ncc(C#N)c(N)n2)c(C)c1[*:1]
CC(=O)O[C@@H](CCc1ccccc1)c1nccn1C Cn1ccnc1[*:1] CC(=O)O[C@@H](CCc1ccccc1)[*:1]
CC(=O)O[C@@H](CCc1ccccc1)c1nccn1C CC(=O)O[*:1] Cn1ccnc1[C@H](CCc1ccccc1)[*:1]
CC(=O)O[C@@H](CCc1ccccc1)c1nccn1C c1ccc(cc1)[*:1] CC(=O)O[C@@H](CC[*:1])c1nccn1C
COc1ccc(F)cc1NC(=O)NCc1nc(C(C)C)cs1 CC(C)[*:1] COc1ccc(F)cc1NC(=O)NCc1nc(cs1)[*:1]
C[C@@H](O)CCNC(=O)N[C@H](C)c1ccc(Cl)s1 C[C@@H](O)C[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(Cl)s1
C[C@@H](O)CCNC(=O)N[C@H](C)c1ccc(Cl)s1 C[C@@H](O)[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccc(Cl)s1
C[C@@H](O)CCNC(=O)N[C@H](C)c1ccc(Cl)s1 C[C@@H](O)CC[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(Cl)s1
CCN(Cc1cccc(C)c1)C(=O)NCC(C)(C)C[C@H](C)O Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)NCC(C)(C)C[C@H](C)O
Cc1c(C)n(Cc2ccncc2)c2nc[n+](CCCN3CCOCC3)c(N)c12 c1cc(ccn1)[*:1] Cc1c(C)n(C[*:1])c2nc[n+](CCCN3CCOCC3)c(N)c12
Cc1c(C)n(Cc2ccncc2)c2nc[n+](CCCN3CCOCC3)c(N)c12 c1cc(ccn1)C[*:1] Cc1c(C)n(c2nc[n+](CCCN3CCOCC3)c(N)c12)[*:1]
Cc1c(C)n(Cc2ccncc2)c2nc[n+](CCCN3CCOCC3)c(N)c12 C1CN(CCO1)CC[*:1] Cc1c(C)n(Cc2ccncc2)c2nc[n+](C[*:1])c(N)c12
Cc1c(C)n(Cc2ccncc2)c2nc[n+](CCCN3CCOCC3)c(N)c12 C1CN(CCO1)C[*:1] Cc1c(C)n(Cc2ccncc2)c2nc[n+](CC[*:1])c(N)c12
Cc1c(C)n(Cc2ccncc2)c2nc[n+](CCCN3CCOCC3)c(N)c12 C1CN(CCO1)[*:1] Cc1c(C)n(Cc2ccncc2)c2nc[n+](CCC[*:1])c(N)c12
Cc1c(C)n(Cc2ccncc2)c2nc[n+](CCCN3CCOCC3)c(N)c12 C(CN1CCOCC1)C[*:1] Cc1c(C)n(Cc2ccncc2)c2nc[n+](c(N)c12)[*:1]
Cc1ccnc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c1 Cc1nc(cs1)C[*:1] Cc1ccnc(c1)NC(=O)c1ccc(cc1)S[*:1]
Cc1ccnc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c1 Cc1ccnc(c1)[*:1] Cc1nc(cs1)CSc1ccc(cc1)C(=O)N[*:1]
Cc1ccnc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c1 Cc1nc(cs1)[*:1] Cc1ccnc(c1)NC(=O)c1ccc(cc1)SC[*:1]
Cc1ccnc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)c1 Cc1nc(cs1)CS[*:1] Cc1ccnc(c1)NC(=O)c1ccc(cc1)[*:1]
COc1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] COc1ccccc1NC(=O)c1ccn(n1)-c1cccc(c1)[*:1]
COc1ccccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 COc1ccccc1[*:1] O=C(N[*:1])c1ccn(n1)-c1cccc(c1)[N+](=O)[O-]
COC[C@H](C)[NH+]1CCN(Cc2cn3ccccc3c2C#N)CC1 COC[*:1] C[C@H]([NH+]1CCN(CC1)Cc1cn2ccccc2c1C#N)[*:1]
[NH3+]C[C@H]1C[C@]1(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] [NH3+]C[C@H]1C[C@@]1(c1ccccc1)[*:1]
CCSc1nc(C)c(-c2csc(C(C#N)=C3CCCC3)n2)cc1C#N CCS[*:1] Cc1nc(c(C#N)cc1-c1csc(n1)C(C#N)=C1CCCC1)[*:1]
CCSc1nc(C)c(-c2csc(C(C#N)=C3CCCC3)n2)cc1C#N N#CC(=C1CCCC1)[*:1] CCSc1nc(C)c(cc1C#N)-c1csc(n1)[*:1]
CC(C)CN(CC(C)C)C(=O)C[NH+]1CCc2nn(C)c(=O)cc2C1 CC(C)C[*:1] CC(C)CN(C(=O)C[NH+]1CCc2nn(C)c(=O)cc2C1)[*:1]
CC(C)CN(CC(C)C)C(=O)C[NH+]1CCc2nn(C)c(=O)cc2C1 CC(C)[*:1] CC(C)CN(C[*:1])C(=O)C[NH+]1CCc2nn(C)c(=O)cc2C1
C[C@H]([NH2+][C@H](C)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 O=C([O-])[*:1] C[C@H]([NH2+][C@H](C)[C@@H](C)[*:1])c1ccc(F)cc1
CCN(C(=O)CNc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)CNc1cccc(Cl)c1)[*:1]
CCN(C(=O)CNc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 Clc1cccc(c1)[*:1] CCN(C(=O)CN[*:1])[C@H]1CCS(=O)(=O)C1
Cc1n[nH]c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)SCC(O)=N2 O=[N+]([O-])[*:1] Cc1n[nH]c2N=C(O)CS[C@H](c3cc4OCOc4cc3[*:1])c12
COc1cc(C2(C(=O)[C@@H](C#N)c3ccc(F)cn3)CC2)ccc1C Fc1ccc(nc1)[*:1] COc1cc(ccc1C)C1(CC1)C(=O)[C@@H](C#N)[*:1]
COCc1ccc([C@H]2CC[NH2+]C[C@@H]2C(C)C)cc1 COC[*:1] CC(C)[C@H]1C[NH2+]CC[C@@H]1c1ccc(cc1)[*:1]
COCc1ccc([C@H]2CC[NH2+]C[C@@H]2C(C)C)cc1 CC(C)[*:1] COCc1ccc(cc1)[C@H]1CC[NH2+]C[C@H]1[*:1]
Cc1cnc(C(C)(C)NC(=O)c2cccc(Oc3cnccn3)c2)s1 c1cnc(cn1)O[*:1] Cc1cnc(s1)C(C)(C)NC(=O)c1cccc(c1)[*:1]
Cc1cnc(C(C)(C)NC(=O)c2cccc(Oc3cnccn3)c2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)c1cccc(c1)Oc1cnccn1)[*:1]
Cc1cnc(C(C)(C)NC(=O)c2cccc(Oc3cnccn3)c2)s1 c1cnc(cn1)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)c1cccc(c1)O[*:1]
Cc1n[nH]c2ncc(C(=O)NCCC[NH+](C)C3CCCCC3)cc12 C1CCC(CC1)[*:1] Cc1n[nH]c2ncc(cc12)C(=O)NCCC[NH+](C)[*:1]
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)NNC(=O)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC2)cc1 O=C(N1CCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)[*:1]
CCc1nnc(SCC(=O)Nc2cc(C)c(C)cc2Br)n1CC(C)C CC(C)[*:1] CCc1nnc(SCC(=O)Nc2cc(C)c(C)cc2Br)n1C[*:1]
CCc1nnc(SCC(=O)Nc2cc(C)c(C)cc2Br)n1CC(C)C CC(C)C[*:1] CCc1nnc(SCC(=O)Nc2cc(C)c(C)cc2Br)n1[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)C(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)C[NH2+][C@H](C)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)C(C)(C)C)CC1 CC(C)[*:1] C[C@@H]([NH2+]CC(=O)N1CCN(CC1)[C@H](C#N)[*:1])C(C)(C)C
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)C(C)(C)C)CC1 CC(C)[C@@H](C#N)[*:1] C[C@@H]([NH2+]CC(=O)N1CCN(CC1)[*:1])C(C)(C)C
N#Cc1ccccc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O N#Cc1ccccc1[*:1] O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[*:1]
CN(Cc1cccc(Cl)c1)C(=O)c1cn(Cc2c(F)cccc2F)nn1 Clc1cccc(c1)C[*:1] CN(C(=O)c1cn(Cc2c(F)cccc2F)nn1)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)c1cn(Cc2c(F)cccc2F)nn1 Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)c1cn(Cc2c(F)cccc2F)nn1
CN(Cc1cccc(Cl)c1)C(=O)c1cn(Cc2c(F)cccc2F)nn1 Fc1cccc(F)c1[*:1] CN(Cc1cccc(Cl)c1)C(=O)c1cn(C[*:1])nn1
CC(=O)N[C@H](CC(=O)Oc1cccc(C)c1C)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)Oc1cccc(C)c1C)[*:1]
CC(=O)N[C@H](CC(=O)Oc1cccc(C)c1C)c1ccc(C)cc1 Cc1cccc(c1C)[*:1] CC(=O)N[C@H](CC(=O)O[*:1])c1ccc(C)cc1
CC(=O)N[C@H](CC(=O)Oc1cccc(C)c1C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Oc1cccc(C)c1C)[*:1]
O=C([O-])CSCC(=O)Nc1ccc(N2CCOCC2)nc1N1CCOCC1 O=C([O-])C[*:1] O=C(CS[*:1])Nc1ccc(nc1N1CCOCC1)N1CCOCC1
O=C([O-])CSCC(=O)Nc1ccc(N2CCOCC2)nc1N1CCOCC1 C1CN(CCO1)[*:1] O=C([O-])CSCC(=O)Nc1ccc(nc1[*:1])N1CCOCC1
O=C([O-])CSCC(=O)Nc1ccc(N2CCOCC2)nc1N1CCOCC1 O=C([O-])[*:1] O=C(CSC[*:1])Nc1ccc(nc1N1CCOCC1)N1CCOCC1
O=C([O-])CSCC(=O)Nc1ccc(N2CCOCC2)nc1N1CCOCC1 O=C([O-])CSCC(=O)N[*:1] c1cc(c(nc1N1CCOCC1)N1CCOCC1)[*:1]
O=C([O-])CSCC(=O)Nc1ccc(N2CCOCC2)nc1N1CCOCC1 C1CN(CCO1)[*:1] O=C([O-])CSCC(=O)Nc1ccc(nc1N1CCOCC1)[*:1]
O=C([O-])CSCC(=O)Nc1ccc(N2CCOCC2)nc1N1CCOCC1 O=C([O-])CS[*:1] O=C(C[*:1])Nc1ccc(nc1N1CCOCC1)N1CCOCC1
O=C([O-])CSCC(=O)Nc1ccc(N2CCOCC2)nc1N1CCOCC1 O=C([O-])CSC[*:1] O=C(Nc1ccc(nc1N1CCOCC1)N1CCOCC1)[*:1]
COC(=O)c1ccc(CCNC(C)=O)cc1 COC(=O)[*:1] CC(=O)NCCc1ccc(cc1)[*:1]
COC(=O)c1ccc(CCNC(C)=O)cc1 CC(=O)N[*:1] COC(=O)c1ccc(cc1)CC[*:1]
COC(=O)c1ccc(CCNC(C)=O)cc1 CC(=O)NC[*:1] COC(=O)c1ccc(cc1)C[*:1]
COc1cc(F)c(NC(=O)NNc2ncccc2Cl)cc1OC Clc1cccnc1[*:1] COc1cc(F)c(cc1OC)NC(=O)NN[*:1]
COc1ccnc(Nc2ccc3[nH]nc(C(N)=O)c3c2)n1 NC(=O)[*:1] COc1ccnc(n1)Nc1ccc2[nH]nc(c2c1)[*:1]
O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)N[*:1]
O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)NC[*:1]
CNC(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CNC(=O)C(=O)Nc1ccc(cc1)S[*:1]
CNC(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 CNC(=O)C(=O)N[*:1] Clc1ccccc1Sc1ccc(cc1)[*:1]
O=C1CN(C(=O)CCc2cccnc2)c2ccccc2N1 c1cncc(c1)[*:1] O=C1CN(C(=O)CC[*:1])c2ccccc2N1
O=C1CN(C(=O)CCc2cccnc2)c2ccccc2N1 c1cncc(c1)C[*:1] O=C1CN(C(=O)C[*:1])c2ccccc2N1
C[C@H]1CN(C(=O)Nc2cnn(CC(F)F)c2)CCO1 FC(F)[*:1] C[C@H]1CN(CCO1)C(=O)Nc1cnn(c1)C[*:1]
C[C@H]1CN(C(=O)Nc2cnn(CC(F)F)c2)CCO1 FC(F)C[*:1] C[C@H]1CN(CCO1)C(=O)Nc1cnn(c1)[*:1]
CC(=O)Nc1cccc(CNC(=O)CNC(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)CNC(=O)CNC(=O)[*:1]
CC(=O)Nc1cccc(CNC(=O)CNC(=O)c2ccc(F)cc2)c1 CC(=O)N[*:1] O=C(CNC(=O)c1ccc(F)cc1)NCc1cccc(c1)[*:1]
CC(C)(C)[C@H](O)CNC(=O)N[C@H]1CCCC1(C)C CC(C)(C)[*:1] CC1(C)CCC[C@@H]1NC(=O)NC[C@@H](O)[*:1]
CC(C)(C)[C@H](O)CNC(=O)N[C@H]1CCCC1(C)C CC(C)(C)[C@H](O)[*:1] CC1(C)CCC[C@@H]1NC(=O)NC[*:1]
O=C(Nc1cc(O)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl c1csc(c1)[*:1] O=C(Nc1cc(O)cc(c1)[N+](=O)[O-])c1nn2c(cc(nc2c1Cl)[*:1])C(F)(F)F
O=C(Nc1cc(O)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl O=[N+]([O-])c1cc(O)cc(c1)[*:1] O=C(N[*:1])c1nn2c(cc(nc2c1Cl)-c1cccs1)C(F)(F)F
O=C(Nc1cc(O)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl FC(F)(F)[*:1] O=C(Nc1cc(O)cc(c1)[N+](=O)[O-])c1nn2c(cc(nc2c1Cl)-c1cccs1)[*:1]
O=C(Nc1cc(O)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl O=[N+]([O-])[*:1] O=C(Nc1cc(O)cc(c1)[*:1])c1nn2c(cc(nc2c1Cl)-c1cccs1)C(F)(F)F
O=C(c1ccc(-n2cnnc2)cc1)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C(c1ccc(cc1)-n1cnnc1)N1CCCC[C@H]1[*:1]
O=C(c1ccc(-n2cnnc2)cc1)N1CCCC[C@@H]1Cn1cccn1 c1nncn1[*:1] O=C(c1ccc(cc1)[*:1])N1CCCC[C@@H]1Cn1cccn1
O=C(c1ccc(-n2cnnc2)cc1)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C(c1ccc(cc1)-n1cnnc1)N1CCCC[C@@H]1C[*:1]
Cc1[nH+]ccn1C1(C(=O)[O-])CCN(C(=O)NCc2ccco2)CC1 c1coc(c1)C[*:1] Cc1[nH+]ccn1C1(CCN(CC1)C(=O)N[*:1])C(=O)[O-]
Cc1[nH+]ccn1C1(C(=O)[O-])CCN(C(=O)NCc2ccco2)CC1 c1coc(c1)[*:1] Cc1[nH+]ccn1C1(CCN(CC1)C(=O)NC[*:1])C(=O)[O-]
Cc1[nH+]ccn1C1(C(=O)[O-])CCN(C(=O)NCc2ccco2)CC1 O=C([O-])[*:1] Cc1[nH+]ccn1C1(CCN(CC1)C(=O)NCc1ccco1)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)S[C@H](C)C1 CC(C)C[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)N[C@H](C[NH+](C)C)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)S[C@H](C)C1 CC(C)[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)N[C@H](C[NH+](C)C)C[*:1]
Cc1ccnc2c1nc([C@H](C)Cl)n2-c1c(F)cccc1F C[C@H](Cl)[*:1] Cc1ccnc2c1nc(n2-c1c(F)cccc1F)[*:1]
COCC(=O)N1CCC[C@@H](c2cc(CO)[nH]n2)C1 COC[*:1] O=C(N1CCC[C@H](C1)c1cc(CO)[nH]n1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(c3nc(-c4cnccn4)no3)C2)cc1 CCN(CC)S(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CC(C1)c1nc(no1)-c1cnccn1
CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(c3nc(-c4cnccn4)no3)C2)cc1 c1cnc(cn1)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N1CC(C1)c1nc(no1)[*:1]
CC[C@@H](C(=O)N1CCc2c(c(-c3nnc(-c4ccccc4F)o3)nn2C)C1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCc2c(C1)c(nn2C)-c1nnc(o1)-c1ccccc1F)[*:1]
CC[C@@H](C(=O)N1CCc2c(c(-c3nnc(-c4ccccc4F)o3)nn2C)C1)c1ccccc1 Fc1ccccc1[*:1] CC[C@@H](C(=O)N1CCc2c(C1)c(nn2C)-c1nnc(o1)[*:1])c1ccccc1
Cc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)[nH]n2)cc1C Cc1ccc(cc1C)[*:1] O=C(NCCC1=CCCCC1)c1cc(n[nH]1)[*:1]
COc1cccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2)c1F Clc1ccc(cc1)[*:1] COc1cccc(C(=O)NCC(=O)N[*:1])c1F
CCCCn1c(N)c(N(C)C(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O FC(F)(F)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C)C(=O)c1cccc(c1)[*:1]
CCCCn1c(N)c(N(C)C(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O CCCC[*:1] CN(C(=O)c1cccc(c1)C(F)(F)F)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCCCn1c(N)c(N(C)C(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O CCC[*:1] CN(C(=O)c1cccc(c1)C(F)(F)F)c1c(N)n(C[*:1])c(=O)[nH]c1=O
Cc1ccc([C@H](C)[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+][C@H](c1nc(no1)C1CC1)[*:1]
Cc1ccc([C@H](C)[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)cc1F C1CC1[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+][C@H](c1nc(no1)[*:1])C(C)C
CC(C)Oc1ccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3ccccn3)CC2)cc1 CC(C)Oc1ccc(cc1)[*:1] O[C@H](c1ccccn1)c1ccccc1N1CC[NH+](CC1)C[*:1]
CC(C)Oc1ccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3ccccn3)CC2)cc1 c1ccc(nc1)[*:1] CC(C)Oc1ccc(cc1)C[NH+]1CCN(CC1)c1ccccc1[C@H](O)[*:1]
CC(C)Oc1ccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3ccccn3)CC2)cc1 O[C@H](c1ccccn1)[*:1] CC(C)Oc1ccc(cc1)C[NH+]1CCN(CC1)c1ccccc1[*:1]
CC(C)Oc1ccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3ccccn3)CC2)cc1 CC(C)[*:1] O[C@H](c1ccccn1)c1ccccc1N1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3ccccn3)CC2)cc1 CC(C)O[*:1] O[C@H](c1ccccn1)c1ccccc1N1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)c1c[nH]nc1-c1ccccc1Cl Clc1ccccc1[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)c1c[nH]nc1[*:1]
CCN1C(=O)c2ccccc2Oc2ccc(C(=O)N3CCCCC3)cc21 O=C(N1CCCCC1)[*:1] CCN1C(=O)c2ccccc2Oc2ccc(cc21)[*:1]
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C1C(C)(C)C1(C)C CC1(C)C(C1(C)C)[*:1] Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[*:1]
Cc1cccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)c1 Cc1cc(Cl)ccc1[*:1] Cc1cccc(c1)C(=O)NNC(=O)CCCO[*:1]
Cc1cccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)c1 Cc1cccc(c1)[*:1] Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)[*:1]
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O O=C([O-])[*:1] CC(C)C[C@H](N1C(=O)[C@H]2CCCC[C@@H]2C1=O)[*:1]
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O CC(C)C[*:1] O=C([O-])[C@H](N1C(=O)[C@H]2CCCC[C@@H]2C1=O)[*:1]
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O CC(C)[*:1] O=C([O-])[C@@H](C[*:1])N1C(=O)[C@H]2CCCC[C@@H]2C1=O
Cc1cc(C)cc(NC(=O)CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)CN1CC[NH+](CC1)CC(=O)N[*:1]
Cc1cc(C)cc(NC(=O)CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N[*:1])NCc1ccccc1
Cc1cc(C)cc(NC(=O)CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CN1CC[NH+](CC1)CC(=O)NC[*:1]
CCOC(=O)[C@@H](F)Oc1ccc(Cl)cc1Cl CCOC(=O)[*:1] F[C@@H](Oc1ccc(Cl)cc1Cl)[*:1]
Cc1cc(S(=O)(=O)NC[C@H](O)CO)sc1Br OC[C@@H](O)[*:1] Cc1cc(sc1Br)S(=O)(=O)NC[*:1]
Cc1cc(S(=O)(=O)NC[C@H](O)CO)sc1Br OC[C@@H](O)C[*:1] Cc1cc(sc1Br)S(=O)(=O)N[*:1]
CC1(C)CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC[S@]1=O FC(F)(F)[*:1] CC1(C)CN(CC[S@]1=O)C(=O)Cc1ccc(cc1)[*:1]
Cc1ccc(O[C@H](C)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CC[C@@H](CN1C(=O)[C@@H](C)O[*:1])C(N)=O
Cc1ccc(O[C@H](C)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 NC(=O)[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)N1C[C@@H](CC[C@@H]1C)[*:1]
O=C(NCCc1nnc2n1CCC2)C1CCN(C(=O)c2cccs2)CC1 C1Cc2nnc(n2C1)[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)c1cccs1
O=C(NCCc1nnc2n1CCC2)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(NCCc1nnc2CCCn21)C1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1cccc(NC(=O)c2ccnc(OC3CCCCC3)c2)c1 C1CCC(CC1)O[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1ccnc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)c2ccnc(OC3CCCCC3)c2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ccnc(c1)OC1CCCCC1
CC(=O)Nc1cccc(NC(=O)c2ccnc(OC3CCCCC3)c2)c1 C1CCC(CC1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1ccnc(c1)O[*:1]
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1cn2ccccc2n1 c1ccn2cc(nc2c1)[*:1] CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[*:1]
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1cn2ccccc2n1 CC(C)[*:1] O=C(N[C@H](C(=O)NCCc1cn2ccccc2n1)[*:1])c1ccc(Cl)cc1
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1cn2ccccc2n1 Clc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NCCc1cn2ccccc2n1
CCCC(=O)N1CCC[C@H](C(=O)NCC(C)(C)CC(C)C)C1 CC(C)CC(C)(C)[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
CCCC(=O)N1CCC[C@H](C(=O)NCC(C)(C)CC(C)C)C1 CC(C)[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)NCC(C)(C)C[*:1]
CCCC(=O)N1CCC[C@H](C(=O)NCC(C)(C)CC(C)C)C1 CC(C)C[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)NCC(C)(C)[*:1]
CCCC(=O)N1CCC[C@H](C(=O)NCC(C)(C)CC(C)C)C1 CCC[*:1] CC(C)CC(C)(C)CNC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
COC(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] COC(=O)c1cccc(c1F)[*:1]
COC(=O)c1cccc(C(F)(F)F)c1F COC(=O)[*:1] Fc1c(cccc1[*:1])C(F)(F)F
COc1ccc(C(=O)N(C[C@H]2C=c3ccccc3=[NH+]C2=O)C(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)C(=O)N(C[C@H]1C=c2ccccc2=[NH+]C1=O)[*:1]
Cc1ccccc1[C@@H](C#N)NC(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] Cc1ccccc1[C@@H](C#N)NC(=O)c1cnc(s1)[*:1]
Cc1ccccc1[C@@H](C#N)NC(=O)c1cnc([C@@H]2CCCO2)s1 Cc1ccccc1[*:1] N#C[C@@H](NC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
C[C@H]1CCc2c(nc3ncnn3c2N2CCN(c3ccccc3F)CC2)C1 Fc1ccccc1[*:1] C[C@H]1CCc2c(C1)nc1ncnn1c2N1CCN(CC1)[*:1]
CC(C)(C)NC(=O)c1cccc(NCc2noc(C3CC3)n2)c1 C1CC1[*:1] CC(C)(C)NC(=O)c1cccc(c1)NCc1noc(n1)[*:1]
CC(C)(C)NC(=O)c1cccc(NCc2noc(C3CC3)n2)c1 CC(C)(C)[*:1] O=C(N[*:1])c1cccc(c1)NCc1noc(n1)C1CC1
CC(C)(C)NC(=O)c1cccc(NCc2noc(C3CC3)n2)c1 CC(C)(C)NC(=O)[*:1] c1cc(cc(c1)[*:1])NCc1noc(n1)C1CC1
CC(C)Oc1cc(NC2CC[NH+](Cc3cccnc3)CC2)nc(N)n1 c1cncc(c1)[*:1] CC(C)Oc1cc(nc(N)n1)NC1CC[NH+](CC1)C[*:1]
CC(C)Oc1cc(NC2CC[NH+](Cc3cccnc3)CC2)nc(N)n1 CC(C)O[*:1] Nc1nc(cc(n1)[*:1])NC1CC[NH+](CC1)Cc1cccnc1
CC(C)Oc1cc(NC2CC[NH+](Cc3cccnc3)CC2)nc(N)n1 c1cncc(c1)C[*:1] CC(C)Oc1cc(nc(N)n1)NC1CC[NH+](CC1)[*:1]
CC(C)Oc1cc(NC2CC[NH+](Cc3cccnc3)CC2)nc(N)n1 CC(C)[*:1] Nc1nc(cc(n1)O[*:1])NC1CC[NH+](CC1)Cc1cccnc1
[NH3+][C@H]1CCC[C@@H]1CNC(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] [NH3+][C@H]1CCC[C@@H]1CNC(=O)c1cccc(c1F)[*:1]
Cc1nc(C)n(CCCNC(=O)c2cnc(Nc3ccccc3)nc2)n1 c1ccc(cc1)N[*:1] Cc1nc(C)n(CCCNC(=O)c2cnc(nc2)[*:1])n1
Cc1nc(C)n(CCCNC(=O)c2cnc(Nc3ccccc3)nc2)n1 c1ccc(cc1)[*:1] Cc1nc(C)n(CCCNC(=O)c2cnc(nc2)N[*:1])n1
Cc1nc(C)n(CCCNC(=O)c2cnc(Nc3ccccc3)nc2)n1 Cc1nc(C)n(C[*:1])n1 O=C(NCC[*:1])c1cnc(nc1)Nc1ccccc1
Cc1nc(C)n(CCCNC(=O)c2cnc(Nc3ccccc3)nc2)n1 Cc1nc(C)n(n1)[*:1] O=C(NCCC[*:1])c1cnc(nc1)Nc1ccccc1
COC(=O)c1ccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C)cc1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(cc1)-c1nc2c(c(=O)[nH]c(=O)n2[*:1])n1C
COC(=O)c1ccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C)cc1 COC(=O)[*:1] Cn1c(nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)-c1ccc(cc1)[*:1]
COC(=O)c1ccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)-c1nc2c(c(=O)[nH]c(=O)n2C[*:1])n1C
CC(C)c1ccnc(N2CCC3(CC2)C[C@@H](O)CO3)n1 CC(C)[*:1] O[C@H]1COC2(CCN(CC2)c2nccc(n2)[*:1])C1
O=C(CCCOc1ccccc1)Nc1nnc(C2CCCCC2)s1 C1CCC(CC1)[*:1] O=C(CCCOc1ccccc1)Nc1nnc(s1)[*:1]
O=C(CCCOc1ccccc1)Nc1nnc(C2CCCCC2)s1 c1ccc(cc1)[*:1] O=C(CCCO[*:1])Nc1nnc(s1)C1CCCCC1
O=C(CCCOc1ccccc1)Nc1nnc(C2CCCCC2)s1 c1ccc(cc1)OC[*:1] O=C(CC[*:1])Nc1nnc(s1)C1CCCCC1
O=C(CCCOc1ccccc1)Nc1nnc(C2CCCCC2)s1 c1ccc(cc1)O[*:1] O=C(CCC[*:1])Nc1nnc(s1)C1CCCCC1
O=C(NCc1ccccc1F)Nc1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] O=C(NCc1ccccc1F)Nc1ccc(cc1)[*:1]
O=C(NCc1ccccc1F)Nc1ccc(S(=O)(=O)C(F)F)cc1 Fc1ccccc1[*:1] O=C(NC[*:1])Nc1ccc(cc1)S(=O)(=O)C(F)F
O=C(NCc1ccccc1F)Nc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] O=C(NCc1ccccc1F)Nc1ccc(cc1)S(=O)(=O)[*:1]
O=C(NCc1ccccc1F)Nc1ccc(S(=O)(=O)C(F)F)cc1 Fc1ccccc1C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)C(F)F)N[*:1]
NC(=O)C1(NC(=O)CCn2cnc3sccc3c2=O)CCCCC1 NC(=O)[*:1] O=C(CCn1cnc2sccc2c1=O)NC1(CCCCC1)[*:1]
Cc1nccc(CNC(=O)N(C2CC2)[C@@H](C)c2ccco2)n1 C[C@@H](c1ccco1)[*:1] Cc1nccc(CNC(=O)N(C2CC2)[*:1])n1
Cc1nccc(CNC(=O)N(C2CC2)[C@@H](C)c2ccco2)n1 c1coc(c1)[*:1] Cc1nccc(CNC(=O)N(C2CC2)[C@@H](C)[*:1])n1
Cc1nccc(CNC(=O)N(C2CC2)[C@@H](C)c2ccco2)n1 Cc1nccc(n1)[*:1] C[C@@H](c1ccco1)N(C(=O)NC[*:1])C1CC1
Cc1nccc(CNC(=O)N(C2CC2)[C@@H](C)c2ccco2)n1 C1CC1[*:1] Cc1nccc(CNC(=O)N([C@@H](C)c2ccco2)[*:1])n1
CCS[C@H]1N=N/C(=N\C(=O)[C@H](Cc2ccccc2)n2cnnn2)S1 c1nnnn1[*:1] CCS[C@H]1N=N/C(=N\C(=O)[C@H](Cc2ccccc2)[*:1])S1
CCS[C@H]1N=N/C(=N\C(=O)[C@H](Cc2ccccc2)n2cnnn2)S1 c1ccc(cc1)[*:1] CCS[C@H]1N=N/C(=N\C(=O)[C@H](C[*:1])n2cnnn2)S1
CCS[C@H]1N=N/C(=N\C(=O)[C@H](Cc2ccccc2)n2cnnn2)S1 c1ccc(cc1)C[*:1] CCS[C@H]1N=N/C(=N\C(=O)[C@H](n2cnnn2)[*:1])S1
CCS[C@H]1N=N/C(=N\C(=O)[C@H](Cc2ccccc2)n2cnnn2)S1 CCS[*:1] O=C(/N=C1\N=N[C@@H](S1)[*:1])[C@H](Cc1ccccc1)n1cnnn1
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC3=NCCS3)cc12 Clc1ccccc1[*:1] Cc1nn(C[*:1])c2sc(cc12)C(=O)NC1=NCCS1
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC3=NCCS3)cc12 Clc1ccccc1C[*:1] Cc1nn(c2sc(cc12)C(=O)NC1=NCCS1)[*:1]
CCc1noc(CN(C)Cc2nnc(-c3c(Cl)cccc3Cl)o2)n1 CCc1noc(n1)[*:1] CN(Cc1nnc(o1)-c1c(Cl)cccc1Cl)C[*:1]
CCc1noc(CN(C)Cc2nnc(-c3c(Cl)cccc3Cl)o2)n1 CCc1noc(C[*:1])n1 CN(Cc1nnc(o1)-c1c(Cl)cccc1Cl)[*:1]
CCc1noc(CN(C)Cc2nnc(-c3c(Cl)cccc3Cl)o2)n1 Clc1cccc(Cl)c1[*:1] CCc1noc(CN(C)Cc2nnc(o2)[*:1])n1
COc1ccc(-c2cc(COC(=O)Cc3cccc(C)c3)no2)cc1 Cc1cccc(c1)C[*:1] COc1ccc(cc1)-c1cc(COC(=O)[*:1])no1
COc1ccc(-c2cc(COC(=O)Cc3cccc(C)c3)no2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)CC(=O)OCc1cc(on1)[*:1]
COc1ccc(-c2cc(COC(=O)Cc3cccc(C)c3)no2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)-c1cc(COC(=O)C[*:1])no1
O=C([O-])[C@@]1([NH2+]C2CC2)CC[C@H](SC2CCCC2)C1 O=C([O-])[*:1] C1CCC(C1)S[C@H]1CC[C@@](C1)([NH2+]C1CC1)[*:1]
O=C([O-])[C@@]1([NH2+]C2CC2)CC[C@H](SC2CCCC2)C1 C1CC1[*:1] O=C([O-])[C@]1(CC[C@@H](C1)SC1CCCC1)[NH2+][*:1]
O=C([O-])[C@@]1([NH2+]C2CC2)CC[C@H](SC2CCCC2)C1 C1CCC(C1)S[*:1] O=C([O-])[C@]1(CC[C@H](C1)[*:1])[NH2+]C1CC1
O=C([O-])[C@@]1([NH2+]C2CC2)CC[C@H](SC2CCCC2)C1 C1CCC(C1)[*:1] O=C([O-])[C@]1(CC[C@@H](C1)S[*:1])[NH2+]C1CC1
CC(=O)N(C)c1cccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1 Cc1ccccc1[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N1CCC[C@@H]1[*:1]
CC(=O)N(C)c1cccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1 CC(=O)N(C)[*:1] Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(c1)[*:1]
COCCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1 COCC[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
COCCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1 COCCNS(=O)(=O)[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)c1cccc(c1)[*:1]
COCCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c1 COC[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)c1cccc(c1)S(=O)(=O)NC[*:1]
Cc1cc(=O)[nH]c(-c2ccc(NCc3c(C)cc(C)[nH]c3=O)nc2)n1 Cc1cc(=O)[nH]c(n1)[*:1] Cc1cc(C)c(CNc2ccc(cn2)[*:1])c(=O)[nH]1
Cc1csc(CCCNC(=O)CCN2c3ccccc3CC[C@@H]2C)n1 Cc1csc(C[*:1])n1 C[C@H]1CCc2ccccc2N1CCC(=O)NCC[*:1]
Cc1csc(CCCNC(=O)CCN2c3ccccc3CC[C@@H]2C)n1 Cc1csc(n1)[*:1] C[C@H]1CCc2ccccc2N1CCC(=O)NCCC[*:1]
Cc1csc(CCCNC(=O)CCN2c3ccccc3CC[C@@H]2C)n1 Cc1csc(CC[*:1])n1 C[C@H]1CCc2ccccc2N1CCC(=O)NC[*:1]
CC(=O)Nc1ccc(C(=O)N(CCC(F)(F)F)C2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N(CCC(F)(F)F)[*:1]
CC(=O)Nc1ccc(C(=O)N(CCC(F)(F)F)C2CCCCC2)cc1 CC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N(CCC(F)(F)F)C1CCCCC1
CC(=O)Nc1ccc(C(=O)N(CCC(F)(F)F)C2CCCCC2)cc1 FC(F)(F)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N(CC[*:1])C1CCCCC1
CC(=O)Nc1ccc(C(=O)N(CCC(F)(F)F)C2CCCCC2)cc1 FC(F)(F)CC[*:1] CC(=O)Nc1ccc(cc1)C(=O)N(C1CCCCC1)[*:1]
CC(=O)Nc1ccc(C(=O)N(CCC(F)(F)F)C2CCCCC2)cc1 FC(F)(F)C[*:1] CC(=O)Nc1ccc(cc1)C(=O)N(C[*:1])C1CCCCC1
O=C(Nc1ccc(Cl)c(F)c1)c1ccoc1 c1cc(co1)[*:1] O=C(Nc1ccc(Cl)c(F)c1)[*:1]
O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 c1cc2OCOc2cc1[*:1] O=S(=O)(NCCO[*:1])c1ccc(cc1)-c1ccccc1
O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=S(=O)(NCCOc1ccc2OCOc2c1)c1ccc(cc1)[*:1]
CCOC(=O)[C@H](CC)S(=O)(=O)[C@H](C)c1nc(C)no1 Cc1noc(n1)[*:1] CCOC(=O)[C@H](CC)S(=O)(=O)[C@H](C)[*:1]
CCOC(=O)[C@H](CC)S(=O)(=O)[C@H](C)c1nc(C)no1 CCOC(=O)[*:1] CC[C@H](S(=O)(=O)[C@H](C)c1nc(C)no1)[*:1]
CSc1ccc(N2C[C@@H](c3nnc(N)o3)CC2=O)cc1 Nc1nnc(o1)[*:1] CSc1ccc(cc1)N1C[C@@H](CC1=O)[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])c1ccc(N2CCOCC2)c(F)c1 CCC(CC)[*:1] O=S(=O)(/N=C(\[O-])c1ccc(c(F)c1)N1CCOCC1)[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])c1ccc(N2CCOCC2)c(F)c1 C1CN(CCO1)[*:1] CCC(CC)S(=O)(=O)/N=C(\[O-])c1ccc(c(F)c1)[*:1]
[NH3+][C@@H]1CCCCC[C@H]1C(=O)NCCCc1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@@H]1CCCCC[C@H]1C(=O)NCCC[*:1]
CCOC(=O)C1=C(C)N/C(=C\c2cccc(Cl)c2)C1=O CCOC(=O)[*:1] CC1N/C(=C\c2cccc(Cl)c2)C(=O)C=1[*:1]
CN(C(=O)CC[C@H]1CCCO1)[C@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CN(C(=O)CC[C@H]1CCCO1)[C@H](c1ccc(F)cc1)[*:1]
CN(C(=O)CC[C@H]1CCCO1)[C@H](c1ccccc1)c1ccc(F)cc1 C1CO[C@H](C1)[*:1] CN(C(=O)CC[*:1])[C@H](c1ccccc1)c1ccc(F)cc1
CN(C(=O)CC[C@H]1CCCO1)[C@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)CC[C@H]1CCCO1)[C@H](c1ccccc1)[*:1]
CN(C(=O)CC[C@H]1CCCO1)[C@H](c1ccccc1)c1ccc(F)cc1 C1CO[C@H](C1)C[*:1] CN(C(=O)C[*:1])[C@H](c1ccccc1)c1ccc(F)cc1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)N1CCN(c2cccc[nH+]2)CC1 O=S1(=O)CC[C@H](C1)[*:1] Cc1nn(c(C)c1CC(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
CN1C(=O)N[C@@H](c2cccc(OCc3ccccc3)c2)C2=C1CN(Cc1ccccc1)C2=O c1ccc(cc1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)C[*:1])c1cccc(c1)OCc1ccccc1
CN1C(=O)N[C@@H](c2cccc(OCc3ccccc3)c2)C2=C1CN(Cc1ccccc1)C2=O c1ccc(cc1)CO[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)Cc1ccccc1)c1cccc(c1)[*:1]
CN1C(=O)N[C@@H](c2cccc(OCc3ccccc3)c2)C2=C1CN(Cc1ccccc1)C2=O c1ccc(cc1)C[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)[*:1])c1cccc(c1)OCc1ccccc1
CN1C(=O)N[C@@H](c2cccc(OCc3ccccc3)c2)C2=C1CN(Cc1ccccc1)C2=O c1ccc(cc1)C[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)Cc1ccccc1)c1cccc(c1)O[*:1]
CN1C(=O)N[C@@H](c2cccc(OCc3ccccc3)c2)C2=C1CN(Cc1ccccc1)C2=O c1ccc(cc1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)Cc1ccccc1)c1cccc(c1)OC[*:1]
C[C@@H](NC[C@](C)(O)c1ccc(F)cc1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](NC[C@](C)(O)c1ccc(F)cc1)[*:1]
CC[NH+](CCO)Cc1nnc(-c2c(-c3ccccc3)noc2C)o1 c1ccc(cc1)[*:1] CC[NH+](CCO)Cc1nnc(o1)-c1c(noc1C)[*:1]
O=C(c1ccc(C(F)(F)F)nc1)N(CCO)Cc1ccccc1 OCC[*:1] O=C(c1ccc(nc1)C(F)(F)F)N(Cc1ccccc1)[*:1]
O=C(c1ccc(C(F)(F)F)nc1)N(CCO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1ccc(nc1)C(F)(F)F)N(CCO)[*:1]
O=C(c1ccc(C(F)(F)F)nc1)N(CCO)Cc1ccccc1 FC(F)(F)[*:1] O=C(c1ccc(nc1)[*:1])N(CCO)Cc1ccccc1
O=C(c1ccc(C(F)(F)F)nc1)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(nc1)C(F)(F)F)N(CCO)C[*:1]
CN(C(=O)c1cnc2ccccc2n1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1cnc2ccccc2n1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)C[C@@H](C)c2cccc(OC)c2)C1 COc1cccc(c1)[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)C[C@@H](C)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)C[C@@H](C)c2cccc(OC)c2)C1 CCNS(=O)(=O)[*:1] COc1cccc(c1)[C@H](C)CC(=O)N1CC[C@@H](C1)[*:1]
Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 NS(=O)(=O)[*:1] Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H](C1)[*:1]
CCC[NH2+][C@]1(C(=O)[O-])CC[C@@H](Sc2nnc(C)n2C)C1 O=C([O-])[*:1] CCC[NH2+][C@@]1(CC[C@H](C1)Sc1nnc(C)n1C)[*:1]
CCC[NH2+][C@]1(C(=O)[O-])CC[C@@H](Sc2nnc(C)n2C)C1 CCC[*:1] Cc1nnc(S[C@@H]2CC[C@](C2)([NH2+][*:1])C(=O)[O-])n1C
CCN1C(=O)[C@](C)(C(=O)NCc2cccc(F)c2)Oc2ccccc21 Fc1cccc(c1)C[*:1] CCN1C(=O)[C@@](C)(Oc2ccccc21)C(=O)N[*:1]
CCN1C(=O)[C@](C)(C(=O)NCc2cccc(F)c2)Oc2ccccc21 Fc1cccc(c1)[*:1] CCN1C(=O)[C@@](C)(Oc2ccccc21)C(=O)NC[*:1]
CCc1oc2ccccc2c1C[NH+]1CCC(n2cccn2)CC1 c1cnn(c1)[*:1] CCc1oc2ccccc2c1C[NH+]1CCC(CC1)[*:1]
CC(=O)C1=C(C)C(C(=O)NNC(=O)OC(C)(C)C)=N[C@H]1C CC(C)(C)[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)NNC(=O)O[*:1]
CC(=O)C1=C(C)C(C(=O)NNC(=O)OC(C)(C)C)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)NNC(=O)OC(C)(C)C
Cc1ccn2c(=O)cc(COc3ccc(NC(=O)c4ccccc4Cl)cc3)nc2c1 Clc1ccccc1[*:1] Cc1ccn2c(=O)cc(COc3ccc(cc3)NC(=O)[*:1])nc2c1
Cc1ccn2c(=O)cc(COc3ccc(NC(=O)c4ccccc4Cl)cc3)nc2c1 O=C(N[*:1])c1ccccc1Cl Cc1ccn2c(=O)cc(COc3ccc(cc3)[*:1])nc2c1
CCc1ccsc1CNC(=O)NCc1cccnc1 c1cncc(c1)[*:1] CCc1ccsc1CNC(=O)NC[*:1]
CC[C@H](CCO)Nc1cncc(Cl)n1 OCC[*:1] CC[C@H](Nc1cncc(Cl)n1)[*:1]
Cc1ccc(C)c(OCC(C)(C)C(=O)NN)c1 NNC(=O)[*:1] Cc1ccc(C)c(c1)OCC(C)(C)[*:1]
Cc1nc(-c2cc(C(=O)NCc3ccnc(OC(C)(C)C)c3)co2)cs1 CC(C)(C)[*:1] Cc1nc(cs1)-c1cc(co1)C(=O)NCc1ccnc(c1)O[*:1]
Cc1nc(-c2cc(C(=O)NCc3ccnc(OC(C)(C)C)c3)co2)cs1 CC(C)(C)O[*:1] Cc1nc(cs1)-c1cc(co1)C(=O)NCc1ccnc(c1)[*:1]
Cc1nc(-c2cc(C(=O)NCc3ccnc(OC(C)(C)C)c3)co2)cs1 Cc1nc(cs1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)c1coc(c1)[*:1]
O=C(OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)c1n[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(OCC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1)c1n[nH]c2ccccc12
O=C(OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)c1n[nH]c2ccccc12 c1ccc(cc1)C[*:1] O=C(OCC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1])c1n[nH]c2ccccc12
O=C(OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)c1n[nH]c2ccccc12 c1ccc2c(n[nH]c2c1)[*:1] O=C(COC(=O)[*:1])N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1
COC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2F)cc1 Cc1ccc(c(F)c1)[*:1] COC(=O)Nc1ccc(cc1)O[C@@H](C)C(=O)N[*:1]
COC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2F)cc1 COC(=O)N[*:1] Cc1ccc(NC(=O)[C@H](C)Oc2ccc(cc2)[*:1])c(F)c1
COCCNC(=O)NCC1CCN(C(=O)c2snnc2C)CC1 COC[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)NC[*:1]
COCCNC(=O)NCC1CCN(C(=O)c2snnc2C)CC1 COCC[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)N[*:1]
COCCNC(=O)NCC1CCN(C(=O)c2snnc2C)CC1 Cc1nnsc1[*:1] COCCNC(=O)NCC1CCN(CC1)C(=O)[*:1]
CCN[C@@H](C#N)CC(=O)NC(C)C CCN[*:1] CC(C)NC(=O)C[C@H](C#N)[*:1]
CCN[C@@H](C#N)CC(=O)NC(C)C CC(C)[*:1] CCN[C@@H](C#N)CC(=O)N[*:1]
Cc1cc(NC(=O)c2ccc(-n3ccnn3)cc2)nn1C Cc1cc(nn1C)[*:1] O=C(N[*:1])c1ccc(cc1)-n1ccnn1
Cc1cc(NC(=O)c2ccc(-n3ccnn3)cc2)nn1C c1cn(nn1)[*:1] Cc1cc(nn1C)NC(=O)c1ccc(cc1)[*:1]
CC(C)CCN(C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] CC(C)CCN(C)C(=O)Nc1ccc(cc1)O[*:1]
CC(C)CCN(C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)CCN(C)C(=O)Nc1ccc(cc1)OC[*:1]
CC(C)CCN(C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 CC(C)C[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)OCC(F)(F)F
CC(C)CCN(C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 CC(C)CC[*:1] CN(C(=O)Nc1ccc(cc1)OCC(F)(F)F)[*:1]
CC(C)CCN(C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 CC(C)[*:1] CN(CC[*:1])C(=O)Nc1ccc(cc1)OCC(F)(F)F
CC(C)CCN(C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] CC(C)CCN(C)C(=O)Nc1ccc(cc1)[*:1]
CS(=O)(=O)c1cnn(-c2ccc(Cl)nn2)c1N CS(=O)(=O)[*:1] Nc1c(cnn1-c1ccc(Cl)nn1)[*:1]
Cc1nnc(NC(=O)COc2ccccc2C(C)C)s1 Cc1nnc(s1)[*:1] CC(C)c1ccccc1OCC(=O)N[*:1]
Cc1nnc(NC(=O)COc2ccccc2C(C)C)s1 CC(C)[*:1] Cc1nnc(NC(=O)COc2ccccc2[*:1])s1
Cn1ccnc1[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1 Cn1ccnc1[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])c1cc2ccccc2[nH]1
Cn1ccnc1[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)c1cc2ccccc2[nH]1)[*:1]
CC[C@H](C#N)Oc1cccc(CNc2ncc([N+](=O)[O-])cc2C)c1 O=[N+]([O-])[*:1] CC[C@H](C#N)Oc1cccc(c1)CNc1ncc(cc1C)[*:1]
O=C(NCCN1CCCCCC1=O)NCc1ccco1 c1coc(c1)[*:1] O=C(NCCN1CCCCCC1=O)NC[*:1]
O=C(NCCN1CCCCCC1=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(NCCN1CCCCCC1=O)N[*:1]
O[C@H]1CC[C@@H](c2ccccc2)C[C@H]1Cc1ccncc1 c1ccc(cc1)[*:1] O[C@H]1CC[C@@H](C[C@H]1Cc1ccncc1)[*:1]
O[C@H]1CC[C@@H](c2ccccc2)C[C@H]1Cc1ccncc1 c1cc(ccn1)[*:1] O[C@H]1CC[C@H](C[C@H]1C[*:1])c1ccccc1
Cc1nc(-c2cccc(NC(=O)COc3ccc(F)cc3)c2)no1 Cc1nc(no1)[*:1] O=C(COc1ccc(F)cc1)Nc1cccc(c1)[*:1]
Cc1nc(-c2cccc(NC(=O)COc3ccc(F)cc3)c2)no1 Fc1ccc(cc1)O[*:1] Cc1nc(no1)-c1cccc(c1)NC(=O)C[*:1]
Cc1nc(-c2cccc(NC(=O)COc3ccc(F)cc3)c2)no1 Fc1ccc(cc1)[*:1] Cc1nc(no1)-c1cccc(c1)NC(=O)CO[*:1]
COC(=O)c1ccccc1NC(=O)N1CC=C(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)N1CC=C(CC1)[*:1]
COC(=O)c1ccccc1NC(=O)N1CC=C(c2ccc(O)cc2)CC1 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])N1CC=C(CC1)c1ccc(O)cc1
CC(=O)N[C@@H](C(=O)NCc1ccc(CN2CCCC2=O)cc1)C(C)C O=C1CCCN1C[*:1] CC(=O)N[C@@H](C(=O)NCc1ccc(cc1)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)NCc1ccc(CN2CCCC2=O)cc1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)NCc1ccc(cc1)CN1CCCC1=O)[*:1]
CC(=O)N[C@@H](C(=O)NCc1ccc(CN2CCCC2=O)cc1)C(C)C CC(=O)N[C@@H](C(C)C)[*:1] O=C1CCCN1Cc1ccc(cc1)CNC(=O)[*:1]
CC(=O)N[C@@H](C(=O)NCc1ccc(CN2CCCC2=O)cc1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)NCc1ccc(cc1)CN1CCCC1=O)[*:1]
CC(=O)N[C@@H](C(=O)NCc1ccc(CN2CCCC2=O)cc1)C(C)C O=C1CCCN1[*:1] CC(=O)N[C@@H](C(=O)NCc1ccc(cc1)C[*:1])C(C)C
NC(=O)[C@H]1CN(Cc2c(F)cccc2F)CCO1 NC(=O)[*:1] Fc1cccc(F)c1CN1CCO[C@H](C1)[*:1]
O=C(CCc1cccs1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 c1csc(c1)CC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1Br)[*:1]
O=C(CCc1cccs1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 c1csc(c1)[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1Br
O=C(CCc1cccs1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 c1csc(c1)C[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1Br
O=C(CCc1cccs1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 Brc1ccccc1[*:1] O=C(CCc1cccs1)N1CCN(CC1)S(=O)(=O)[*:1]
Cn1cc(C[NH+](CCO)Cc2cccs2)c(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] Cn1cc(C[NH+](CCO)Cc2cccs2)c(n1)[*:1]
Cn1cc(C[NH+](CCO)Cc2cccs2)c(-c2cccc(Cl)c2)n1 c1csc(c1)C[*:1] Cn1cc(C[NH+](CCO)[*:1])c(n1)-c1cccc(Cl)c1
Cn1cc(C[NH+](CCO)Cc2cccs2)c(-c2cccc(Cl)c2)n1 c1csc(c1)[*:1] Cn1cc(C[NH+](CCO)C[*:1])c(n1)-c1cccc(Cl)c1
COc1cc(CN/C(C)=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC Clc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)CN/C(C)=C1\C(=O)NC(=O)N(C1=O)[*:1]
CC(C)C[C@@H]1COCCN1C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 CC(C)(C)[*:1] CC(C)C[C@@H]1COCCN1C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)C[C@@H]1COCCN1C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 CC(C)[*:1] CC(C)(C)C(=O)N1CCC[C@@H](C1)C(=O)N1CCOC[C@H]1C[*:1]
CC(C)C[C@@H]1COCCN1C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 CC(C)C[*:1] CC(C)(C)C(=O)N1CCC[C@@H](C1)C(=O)N1CCOC[C@H]1[*:1]
CCc1ccccc1N1C[C@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1=O C1CCN(C1)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)NCc1ccc([nH+]c1)[*:1]
CCc1ccccc1N1C[C@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1=O CCc1ccccc1[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)[C@@H]1CC(=O)N(C1)[*:1]
O[C@@H](CSc1ccccc1)[C@H]1CCCc2cccnc21 c1ccc(cc1)[*:1] O[C@@H](CS[*:1])[C@H]1CCCc2cccnc21
COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)c1cn(C)nc1C Cc1nn(C)cc1[*:1] COc1ccc(cc1CC(=O)N[C@H](C)[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)c1cn(C)nc1C CC(=O)[*:1] COc1ccc(cc1CC(=O)N[C@H](C)c1cn(C)nc1C)[*:1]
c1cnc(N2CC[NH+](Cc3csc4ccccc34)CC2)nc1 c1cnc(nc1)[*:1] c1ccc2c(csc2c1)C[NH+]1CCN(CC1)[*:1]
COc1ccccc1[C@@H](C)CC(=O)O[C@@H](C)c1nccs1 c1csc(n1)[*:1] COc1ccccc1[C@@H](C)CC(=O)O[C@@H](C)[*:1]
COc1ccccc1[C@@H](C)CC(=O)O[C@@H](C)c1nccs1 C[C@@H](c1nccs1)[*:1] COc1ccccc1[C@@H](C)CC(=O)O[*:1]
COC(=O)c1s/c(=N/C(=O)[C@H]2CC(=O)N(CC(C)C)C2)[nH]c1C CC(C)[*:1] COC(=O)c1s/c(=N/C(=O)[C@H]2CC(=O)N(C2)C[*:1])[nH]c1C
COC(=O)c1s/c(=N/C(=O)[C@H]2CC(=O)N(CC(C)C)C2)[nH]c1C CC(C)C[*:1] COC(=O)c1s/c(=N/C(=O)[C@H]2CC(=O)N(C2)[*:1])[nH]c1C
COC(=O)c1s/c(=N/C(=O)[C@H]2CC(=O)N(CC(C)C)C2)[nH]c1C COC(=O)[*:1] Cc1[nH]/c(=N\C(=O)[C@H]2CC(=O)N(CC(C)C)C2)sc1[*:1]
CCCn1nnnc1CN1CCC(C)(C(=O)OCC)CC1 CCC[*:1] CCOC(=O)C1(C)CCN(CC1)Cc1nnnn1[*:1]
CCCn1nnnc1CN1CCC(C)(C(=O)OCC)CC1 CCOC(=O)[*:1] CCCn1nnnc1CN1CCC(C)(CC1)[*:1]
O=C(CN1CCc2ccccc2C1)c1c[nH]c(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] O=C(CN1CCc2ccccc2C1)c1c[nH]c(c1)[*:1]
Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1N1CCCC1=O c1ccc(cc1)[*:1] Cc1ccc(cc1N1CCCC1=O)NC(=O)c1cc(on1)[*:1]
Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1N1CCCC1=O O=C1CCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cc(on1)-c1ccccc1
COc1ccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)cc1C C1CCC(CC1)[*:1] COc1ccc(cc1C)S(=O)(=O)NC[C@H](O)[*:1]
CCOc1ccc([C@H]2N=[NH+]C(=S)N2/N=C/c2cccs2)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)[C@H]1N=[NH+]C(=S)N1N=C[*:1]
CCOc1ccc([C@H]2N=[NH+]C(=S)N2/N=C/c2cccs2)cc1 CCO[*:1] S=C1[NH+]=N[C@H](c2ccc(cc2)[*:1])N1/N=C/c1cccs1
Cn1c(=O)oc2cc(S(=O)(=O)NCc3cc[nH]n3)ccc21 c1cc(n[nH]1)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)NC[*:1]
Cn1c(=O)oc2cc(S(=O)(=O)NCc3cc[nH]n3)ccc21 c1cc(C[*:1])n[nH]1 Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N[*:1]
COc1cccc(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)c1 Clc1cccc(Cl)c1[*:1] COc1cccc(c1)NC(=O)C(=O)NN=C[*:1]
COc1cccc(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)c1 COc1cccc(c1)[*:1] O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)N[*:1]
Cc1ccccc1-n1c(C)nnc1S(=O)(=O)Cc1nc(C2CC2)no1 Cc1ccccc1[*:1] Cc1nnc(n1[*:1])S(=O)(=O)Cc1nc(no1)C1CC1
Cc1ccccc1-n1c(C)nnc1S(=O)(=O)Cc1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] Cc1ccccc1-n1c(C)nnc1S(=O)(=O)C[*:1]
Cc1ccccc1-n1c(C)nnc1S(=O)(=O)Cc1nc(C2CC2)no1 C1CC1[*:1] Cc1ccccc1-n1c(C)nnc1S(=O)(=O)Cc1nc(no1)[*:1]
Cn1nc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)Cc1ccccc1 Fc1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)Cc1ccccc1)C(=O)NC[*:1]
Cn1nc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)NCc1ccc(F)cc1
Cn1nc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)C[*:1])C(=O)NCc1ccc(F)cc1
Cn1nc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)Cc1ccccc1 Fc1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)Cc1ccccc1)C(=O)N[*:1]
CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 CNS(=O)(=O)[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)Nc1ccc(cc1)[*:1]
O=C(CN1C(=O)S/C(=C\c2cc3c(cc2Cl)OCO3)C1=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C1S/C(=C\c2cc3OCOc3cc2Cl)C(=O)N1C[*:1]
O=C(CN1C(=O)S/C(=C\c2cc3c(cc2Cl)OCO3)C1=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=C1S/C(=C\c2cc3OCOc3cc2Cl)C(=O)N1[*:1]
O=C(OCc1csc(-c2ccccc2)n1)c1cc(=O)c2ccccc2o1 c1ccc(cc1)[*:1] O=C(OCc1csc(n1)[*:1])c1cc(=O)c2ccccc2o1
O=S(=O)(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccccc1 Fc1ccccc1C[*:1] O=S(=O)(N/N=C/c1ccc(cc1)O[*:1])c1ccccc1
O=S(=O)(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccccc1 Fc1ccccc1CO[*:1] O=S(=O)(N/N=C/c1ccc(cc1)[*:1])c1ccccc1
O=S(=O)(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccccc1 Fc1ccccc1[*:1] O=S(=O)(N/N=C/c1ccc(cc1)OC[*:1])c1ccccc1
O=S(=O)(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(N/N=C/c1ccc(cc1)OCc1ccccc1F)[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C)[C@@H]2CCC[C@H](C)C2)no1 C[C@H]1CCC[C@H](C1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)SCC(=O)N(C)[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C)[C@@H]2CCC[C@H](C)C2)no1 Cc1cc(no1)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)CS[C@@H](C)C(=O)N[*:1]
CCn1c(Cn2cncn2)nnc1C1CCN(c2nc(N)cc[nH+]2)CC1 c1ncn(C[*:1])n1 CCn1c(nnc1[*:1])C1CCN(CC1)c1nc(N)cc[nH+]1
CCn1c(Cn2cncn2)nnc1C1CCN(c2nc(N)cc[nH+]2)CC1 c1ncn(n1)[*:1] CCn1c(C[*:1])nnc1C1CCN(CC1)c1nc(N)cc[nH+]1
C[NH+](CCc1cccs1)CC1(O)CCCC1 c1csc(c1)[*:1] C[NH+](CC[*:1])CC1(O)CCCC1
CCO[C@H](C)c1noc(CNC(=O)N[C@@H](C)c2ccc3ccccc3c2)n1 CCO[*:1] C[C@H](NC(=O)NCc1nc(no1)[C@@H](C)[*:1])c1ccc2ccccc2c1
CCO[C@H](C)c1noc(CNC(=O)N[C@@H](C)c2ccc3ccccc3c2)n1 CCO[C@H](C)[*:1] C[C@H](NC(=O)NCc1nc(no1)[*:1])c1ccc2ccccc2c1
O=C(Nc1cnn(-c2ccc(C(=O)N3CCN(c4ncnc5ccccc45)CC3)cc2)c1)[C@@H]1CCOC1 c1ccc2c(ncnc2c1)[*:1] O=C(Nc1cnn(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)[*:1])[C@@H]1CCOC1
CCC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 CCC(=O)N[*:1] CC(C)(C)c1cc(n(Cc2ccccc2)n1)[*:1]
CCC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 c1ccc(cc1)[*:1] CCC(=O)Nc1cc(nn1C[*:1])C(C)(C)C
CCC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 c1ccc(cc1)C[*:1] CCC(=O)Nc1cc(nn1[*:1])C(C)(C)C
CCC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 CC(C)(C)[*:1] CCC(=O)Nc1cc(nn1Cc1ccccc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2csc(C)n2)c1 Cc1nc(cs1)[*:1] CCN(CC)S(=O)(=O)c1ccc(=O)n(c1)C[*:1]
CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2csc(C)n2)c1 Cc1nc(cs1)C[*:1] CCN(CC)S(=O)(=O)c1ccc(=O)n(c1)[*:1]
CC[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] CC[C@H](C)NC(=O)N1CCc2ccc(cc2C1)[*:1]
CC[C@H](C)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 CC[C@H](C)[*:1] O=C(N[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
O=C(COc1ccc(Cl)cc1Cl)NCCc1csc2nc(-c3cccs3)nn12 c1csc(c1)[*:1] O=C(COc1ccc(Cl)cc1Cl)NCCc1csc2nc(nn12)[*:1]
O=C(COc1ccc(Cl)cc1Cl)NCCc1csc2nc(-c3cccs3)nn12 Clc1ccc(O[*:1])c(Cl)c1 O=C(C[*:1])NCCc1csc2nc(nn12)-c1cccs1
O=C(COc1ccc(Cl)cc1Cl)NCCc1csc2nc(-c3cccs3)nn12 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])NCCc1csc2nc(nn12)-c1cccs1
C[C@H]1CN(C(=O)CSCc2cc(-c3cccs3)on2)C[C@@H](C)S1 c1csc(c1)[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)CSCc1cc(on1)[*:1]
COCCn1c(SCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nc2ccccc21 COC[*:1] O=C(CSc1nc2ccccc2n1C[*:1])N1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1
COCCn1c(SCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nc2ccccc21 COCC[*:1] O=C(CSc1nc2ccccc2n1[*:1])N1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1
COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(cc1)[*:1]
COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(C(F)(F)F)cc1N[C@@H](C)c1[nH+]ccn1C FC(F)(F)[*:1] Cc1ccc(cc1N[C@@H](C)c1[nH+]ccn1C)[*:1]
CC(=O)NCC[C@H]1CCCCN1C(=O)Cn1nc(C)cc1C Cc1cc(C)n(n1)[*:1] CC(=O)NCC[C@H]1CCCCN1C(=O)C[*:1]
CC(=O)NCC[C@H]1CCCCN1C(=O)Cn1nc(C)cc1C CC(=O)NCC[*:1] Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2[*:1])n1
CC(=O)NCC[C@H]1CCCCN1C(=O)Cn1nc(C)cc1C CC(=O)N[*:1] Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2CC[*:1])n1
CC(=O)NCC[C@H]1CCCCN1C(=O)Cn1nc(C)cc1C CC(=O)NC[*:1] Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2C[*:1])n1
N#Cc1ccc(NC(=O)c2ccc(Cl)o2)cc1Cl Clc1ccc(o1)[*:1] N#Cc1ccc(cc1Cl)NC(=O)[*:1]
Cc1occc1-c1nnc(SCc2cccc(C(=O)NCC(C)C)c2)n1N Cc1occc1[*:1] CC(C)CNC(=O)c1cccc(c1)CSc1nnc(n1N)[*:1]
Cc1occc1-c1nnc(SCc2cccc(C(=O)NCC(C)C)c2)n1N CC(C)C[*:1] Cc1occc1-c1nnc(SCc2cccc(c2)C(=O)N[*:1])n1N
Cc1occc1-c1nnc(SCc2cccc(C(=O)NCC(C)C)c2)n1N CC(C)CNC(=O)[*:1] Cc1occc1-c1nnc(SCc2cccc(c2)[*:1])n1N
Cc1occc1-c1nnc(SCc2cccc(C(=O)NCC(C)C)c2)n1N CC(C)[*:1] Cc1occc1-c1nnc(SCc2cccc(c2)C(=O)NC[*:1])n1N
COC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)C1 COC[*:1] CC(=O)Nc1cc(ccc1F)S(=O)(=O)N1CCC[C@H](C1)[*:1]
COC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)C1 CC(=O)N[*:1] COC[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)c(c1)[*:1]
CC(C)c1cc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)on1 CC(C)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)c2cc(no2)[*:1])c1=O
CC(C)c1cc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)on1 Cn1cnn(c1=O)[*:1] CC(C)c1cc(on1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1cc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)on1 CC(C)c1cc(on1)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)[*:1])c1=O
O=C1CC=C(C(=O)N[C@H]2N/C(=C\C(=O)N3CCN(c4ccccc4)CC3)CS2)C=N1 c1ccc(cc1)[*:1] O=C1CC=C(C=N1)C(=O)N[C@H]1N/C(=C\C(=O)N2CCN(CC2)[*:1])CS1
Cn1ccnc1[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)CCC(=O)c1ccc2Cc3ccccc3-c2c1)[*:1]
Cn1ccnc1[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccccc1 Cn1ccnc1[*:1] O=C(CCC(=O)c1ccc2Cc3ccccc3-c2c1)N[C@@H](c1ccccc1)[*:1]
Cc1c(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])oc2ccccc12 O=[N+]([O-])[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)COc1ccccc1[*:1]
Cc1c(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])oc2ccccc12 O=[N+]([O-])c1ccccc1[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)CO[*:1]
O=C(NC[C@H](O)Cc1ccccc1)Nc1cnn(-c2ncccn2)c1 c1ccc(cc1)C[*:1] O=C(NC[C@H](O)[*:1])Nc1cnn(c1)-c1ncccn1
O=C(NC[C@H](O)Cc1ccccc1)Nc1cnn(-c2ncccn2)c1 c1ccc(cc1)[*:1] O=C(NC[C@H](O)C[*:1])Nc1cnn(c1)-c1ncccn1
O=C(NC[C@H](O)Cc1ccccc1)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] O=C(NC[C@H](O)Cc1ccccc1)Nc1cnn(c1)[*:1]
CCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)[C@H]1CCCC[C@H]1C O=S(=O)(N1CCCC1)[*:1] CCN(C(=O)c1cc(c(C)o1)[*:1])[C@H]1CCCC[C@H]1C
CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 CC1CCN(CC1)C(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 CC(C)(C)[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
C[C@H]1CN(CCC(=O)[O-])S(=O)(=O)C1 O=C([O-])[*:1] C[C@H]1CN(CC[*:1])S(=O)(=O)C1
C[C@H]1CN(CCC(=O)[O-])S(=O)(=O)C1 O=C([O-])C[*:1] C[C@H]1CN(C[*:1])S(=O)(=O)C1
NC(=[NH2+])c1ncccc1Cl NC(=[NH2+])[*:1] Clc1cccnc1[*:1]
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 C=C(C)CO[*:1] O=[N+]([O-])c1ccc(s1)S(=O)(=O)[N-]c1cccc(c1)[*:1]
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 C=C(C)C[*:1] O=[N+]([O-])c1ccc(s1)S(=O)(=O)[N-]c1cccc(c1)O[*:1]
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 O=[N+]([O-])[*:1] C=C(C)COc1cccc(c1)[N-]S(=O)(=O)c1ccc(s1)[*:1]
C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 C=C(C)[*:1] O=[N+]([O-])c1ccc(s1)S(=O)(=O)[N-]c1cccc(c1)OC[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](OCc2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)OC[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](OCc2ccccn2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](C1)OCc1ccccn1
CC(C)(C)OC(=O)N1CCC[C@@H](OCc2ccccn2)C1 c1ccc(C[*:1])nc1 CC(C)(C)OC(=O)N1CCC[C@H](C1)O[*:1]
CCn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccc2c(c1)CCCC2 O=C(N1CCCCCC1)[*:1] CCn1c(nnc1-c1ccc2CCCCc2c1)SC[*:1]
Cc1ccc(C(=O)Nc2cccc[n+]2Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1cccc[n+]1C[*:1]
Cc1ccc(C(=O)Nc2cccc[n+]2Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1cccc[n+]1Cc1ccccc1
Cc1ccc(C(=O)Nc2cccc[n+]2Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 c1ccc(cc1)C[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1cccc[n+]1[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)N[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)NC[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1/C=C(\C#N)C(=O)NCc1ccccc1)[*:1]
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[*:1]
Cc1cccc(NC(=O)c2cn(C)c3c(Cl)cccc3c2=O)c1 Cc1cccc(c1)[*:1] Cn1cc(C(=O)N[*:1])c(=O)c2cccc(Cl)c21
CC(=O)Nc1cccc(NC(=O)c2cc(Cl)c[nH]2)c1C Clc1c[nH]c(c1)[*:1] CC(=O)Nc1cccc(NC(=O)[*:1])c1C
CC(=O)Nc1cccc(NC(=O)c2cc(Cl)c[nH]2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)c1cc(Cl)c[nH]1
COc1ccc(OCc2ccc(C(=O)N[C@H](C)c3nc4ccccc4o3)o2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(CO[*:1])o1)c1nc2ccccc2o1
COc1ccc(OCc2ccc(C(=O)N[C@H](C)c3nc4ccccc4o3)o2)cc1 c1ccc2oc(nc2c1)[*:1] COc1ccc(cc1)OCc1ccc(o1)C(=O)N[C@H](C)[*:1]
COc1ccc(OCc2ccc(C(=O)N[C@H](C)c3nc4ccccc4o3)o2)cc1 COc1ccc(cc1)O[*:1] C[C@@H](NC(=O)c1ccc(C[*:1])o1)c1nc2ccccc2o1
FC(F)COc1cc(CNC2=[NH+]CCN2)ccn1 FC(F)[*:1] c1cc(cc(n1)OC[*:1])CNC1NCC[NH+]=1
FC(F)COc1cc(CNC2=[NH+]CCN2)ccn1 FC(F)CO[*:1] c1cc(cc(n1)[*:1])CNC1NCC[NH+]=1
FC(F)COc1cc(CNC2=[NH+]CCN2)ccn1 FC(F)C[*:1] c1cc(cc(n1)O[*:1])CNC1NCC[NH+]=1
CC[C@@](C)([C@@H]([NH3+])Cc1cc(C)cc(C)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)([C@@H]([NH3+])Cc1cc(C)cc(C)c1)[*:1]
Cc1c(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)nnn1-c1ccc(Br)cc1F Clc1cccc(c1)[*:1] Cc1c(nnn1-c1ccc(Br)cc1F)-c1nsc(n1)NC(=O)[*:1]
Cc1c(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)nnn1-c1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] Cc1c(nnn1[*:1])-c1nsc(n1)NC(=O)c1cccc(Cl)c1
CNC(=O)c1cc(C)ccc1NC(=O)CCC(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CNC(=O)c1cc(C)ccc1NC(=O)CCC(=O)[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)CCC(=O)c1ccc(F)c(F)c1 CNC(=O)[*:1] Cc1ccc(NC(=O)CCC(=O)c2ccc(F)c(F)c2)c(c1)[*:1]
C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)CCc1ccc(Cl)cc1Cl NC(=O)[*:1] C[C@H]1C[C@@H](c2ccccc2N1C(=O)CCc1ccc(Cl)cc1Cl)[*:1]
C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)CCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)CC[*:1]
CCC[NH2+]C[C@H]1CCCO[C@H]1c1ccc2ccccc2n1 CCC[*:1] c1ccc2nc(ccc2c1)[C@@H]1OCCC[C@@H]1C[NH2+][*:1]
CCc1oc2ccccc2c1CN(C)C(=O)c1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] CCc1oc2ccccc2c1CN(C)C(=O)[*:1]
O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N[C@H](c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N[C@H](c1cccs1)[*:1]
O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N[C@H](c1ccc(F)cc1)c1cccs1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)C(=O)N(C1=O)[*:1])N[C@H](c1ccc(F)cc1)c1cccs1
O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N[C@H](c1ccc(F)cc1)c1cccs1 c1ccc(cc1)[*:1] O=C(CN1C(=O)C(=O)N(C[*:1])C1=O)N[C@H](c1ccc(F)cc1)c1cccs1
O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N[C@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N[C@H](c1ccc(F)cc1)[*:1]
COc1cccc([C@H](N)c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)c1 CC(C)(C)[*:1] COc1cccc(c1)[C@H](N)c1nc(COc2ccc(cc2)[*:1])n[nH]1
COc1cccc([C@H](N)c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)c1 COc1cccc(c1)[*:1] CC(C)(C)c1ccc(cc1)OCc1n[nH]c(n1)[C@@H](N)[*:1]
O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(C(=O)[O-])(n2cc[nH+]c2)CC1 O=C([O-])[*:1] O=C([C@@H]1CC(=O)N(C1)C1CC1)N1CCC(CC1)(n1cc[nH+]c1)[*:1]
O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(C(=O)[O-])(n2cc[nH+]c2)CC1 C1CC1[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC(CC1)(C(=O)[O-])n1cc[nH+]c1
CCO[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 O=C([O-])[*:1] CCO[C@@H]1CCC[C@]([NH3+])(C1)[*:1]
CCO[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 CCO[*:1] [NH3+][C@@]1(CCC[C@H](C1)[*:1])C(=O)[O-]
CCn1cc[nH+]c(N2CC[C@H](Cc3ccccc3)C2)c1=O c1ccc(cc1)C[*:1] CCn1cc[nH+]c(c1=O)N1CC[C@H](C1)[*:1]
CCn1cc[nH+]c(N2CC[C@H](Cc3ccccc3)C2)c1=O c1ccc(cc1)[*:1] CCn1cc[nH+]c(c1=O)N1CC[C@@H](C1)C[*:1]
COC(=O)C[C@@H](C)S(=O)(=O)Cc1sc(C)nc1C COC(=O)C[*:1] Cc1nc(C)c(CS(=O)(=O)[C@H](C)[*:1])s1
COC(=O)C[C@@H](C)S(=O)(=O)Cc1sc(C)nc1C COC(=O)[*:1] Cc1nc(C)c(CS(=O)(=O)[C@H](C)C[*:1])s1
COc1ccc(C[C@H]2Nc3ccc(C(=O)NC[C@@H]4N=CC(C)=N4)cc3O2)cc1OC COc1ccc(cc1OC)[*:1] CC1C=N[C@@H](CNC(=O)c2ccc3N[C@H](C[*:1])Oc3c2)N=1
CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)c2ccccc2C1=O FC(F)(F)[*:1] CCCOc1ccc(cc1NC(=O)CN1C(=O)c2ccccc2C1=O)[*:1]
CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)c2ccccc2C1=O CCCO[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(ccc1[*:1])C(F)(F)F
CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)c2ccccc2C1=O CCC[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(ccc1O[*:1])C(F)(F)F
C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 C1CCN(C1)[*:1] C[NH+](C)Cc1ccc(cc1)CNC(=O)NCc1ccc([nH+]c1)[*:1]
O=C(C1CC1)N1CCC[C@@H](CNc2nccc(CCC(F)(F)F)n2)C1 C1CC1[*:1] O=C(N1CCC[C@@H](CNc2nccc(CCC(F)(F)F)n2)C1)[*:1]
O=C(C1CC1)N1CCC[C@@H](CNc2nccc(CCC(F)(F)F)n2)C1 FC(F)(F)C[*:1] O=C(C1CC1)N1CCC[C@@H](CNc2nccc(C[*:1])n2)C1
O=C(C1CC1)N1CCC[C@@H](CNc2nccc(CCC(F)(F)F)n2)C1 FC(F)(F)[*:1] O=C(C1CC1)N1CCC[C@@H](CNc2nccc(CC[*:1])n2)C1
O=C(C1CC1)N1CCC[C@@H](CNc2nccc(CCC(F)(F)F)n2)C1 FC(F)(F)CC[*:1] O=C(C1CC1)N1CCC[C@@H](CNc2nccc(n2)[*:1])C1
Cn1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(-c2cccs2)n1 c1ccc(cc1)C[*:1] Cn1cc(/C=C(/C#N)C(=O)NC[*:1])c(n1)-c1cccs1
Cn1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(n1)[*:1]
Cn1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(-c2cccs2)n1 c1ccc(cc1)[*:1] Cn1cc(/C=C(/C#N)C(=O)NCC[*:1])c(n1)-c1cccs1
Cn1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(-c2cccs2)n1 c1ccc(cc1)CC[*:1] Cn1cc(/C=C(/C#N)C(=O)N[*:1])c(n1)-c1cccs1
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1C[C@H](C(N)=O)Oc2ccccc21 CC(C)(C)[*:1] Cc1cc(cc(C)c1S(=O)(=O)N1C[C@@H](Oc2ccccc21)C(N)=O)[*:1]
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1C[C@H](C(N)=O)Oc2ccccc21 NC(=O)[*:1] Cc1cc(cc(C)c1S(=O)(=O)N1C[C@H](Oc2ccccc21)[*:1])C(C)(C)C
CS(=O)(=O)N1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CS(=O)(=O)N1CCC(CC1)[NH2+]Cc1cccc(c1)[*:1]
COc1ccc(Br)cc1SCCCO OCC[*:1] COc1ccc(Br)cc1SC[*:1]
COc1ccc(Br)cc1SCCCO OCCC[*:1] COc1ccc(Br)cc1S[*:1]
COc1ccccc1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 O=[N+]([O-])[*:1] COc1ccccc1OCc1nc2ccc(cc2[nH]1)[*:1]
COc1cc2c(c(OC)c1OC)[C@H](c1ccccc1OC(C)C)CC(=O)N2 CC(C)[*:1] COc1cc2NC(=O)C[C@@H](c3ccccc3O[*:1])c2c(OC)c1OC
COc1cc2c(c(OC)c1OC)[C@H](c1ccccc1OC(C)C)CC(=O)N2 CC(C)O[*:1] COc1cc2NC(=O)C[C@@H](c3ccccc3[*:1])c2c(OC)c1OC
CCS(=O)(=O)N1CCC(C(=O)Oc2cc(C)c(Cl)cc2C(C)C)CC1 CC(C)[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)Oc1cc(C)c(Cl)cc1[*:1]
C[C@@H](CN1CCOCC1)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 C1CN(CCO1)[*:1] C[C@@H](C[*:1])NC(=O)c1cc(nc2ccccc12)-c1ccccn1
C[C@@H](CN1CCOCC1)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 c1ccc(nc1)[*:1] C[C@@H](CN1CCOCC1)NC(=O)c1cc(nc2ccccc12)[*:1]
C[C@@H](CN1CCOCC1)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 C1CN(CCO1)C[*:1] C[C@@H](NC(=O)c1cc(nc2ccccc12)-c1ccccn1)[*:1]
COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(OC)c1 Cc1cc(ccc1Cl)[*:1] COc1ccc(NC(=O)[C@@H](C)O[*:1])c(c1)OC
COc1ccc2c(c1)CCCN2C(=O)NC[C@H](C)N1CCOCC1 C1CN(CCO1)[*:1] COc1ccc2c(c1)CCCN2C(=O)NC[C@H](C)[*:1]
COc1ccc(C(=O)Nc2ccc3oc(C(=O)Nc4ccc(C)cc4)c(OC)c3c2)cc1 Cc1ccc(cc1)NC(=O)[*:1] COc1ccc(cc1)C(=O)Nc1ccc2oc(c(OC)c2c1)[*:1]
COc1ccc(C(=O)Nc2ccc3oc(C(=O)Nc4ccc(C)cc4)c(OC)c3c2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1ccc2oc(C(=O)N[*:1])c(OC)c2c1
COc1ccc(C(=O)Nc2ccc3oc(C(=O)Nc4ccc(C)cc4)c(OC)c3c2)cc1 COc1ccc(cc1)[*:1] COc1c(oc2ccc(cc12)NC(=O)[*:1])C(=O)Nc1ccc(C)cc1
C[C@H]1CN(C(=O)CNC(=O)Cc2cccc(F)c2)C(C)(C)CO1 Fc1cccc(c1)[*:1] C[C@H]1CN(C(=O)CNC(=O)C[*:1])C(C)(C)CO1
O=C1CN(c2ncc(-c3ccncc3)c(-c3ccoc3)n2)CCN1 O=C1CN(CCN1)[*:1] c1cc(ccn1)-c1cnc(nc1-c1ccoc1)[*:1]
O=C1CN(c2ncc(-c3ccncc3)c(-c3ccoc3)n2)CCN1 c1cc(ccn1)[*:1] O=C1CN(CCN1)c1ncc(c(n1)-c1ccoc1)[*:1]
O=C1CN(c2ncc(-c3ccncc3)c(-c3ccoc3)n2)CCN1 c1cc(co1)[*:1] O=C1CN(CCN1)c1ncc(-c2ccncc2)c(n1)[*:1]
Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1ccc(O)cc1)N2 Oc1ccc(cc1)[*:1] Cc1ccc2N[C@H](n3nc(C)cc3-c2c1)[*:1]
CCOC(=O)c1sc2ccsc2c1CNC(=O)c1cnn[nH]1 c1nn[nH]c1[*:1] CCOC(=O)c1sc2ccsc2c1CNC(=O)[*:1]
CCOC(=O)c1sc2ccsc2c1CNC(=O)c1cnn[nH]1 CCOC(=O)[*:1] O=C(NCc1c(sc2ccsc12)[*:1])c1cnn[nH]1
COc1ccc2c(c1)=[NH+][C@H](C(=O)NCc1ccccn1)C=2 c1ccc(nc1)[*:1] COc1ccc2=C[C@H]([NH+]=c2c1)C(=O)NC[*:1]
COc1ccc2c(c1)=[NH+][C@H](C(=O)NCc1ccccn1)C=2 c1ccc(C[*:1])nc1 COc1ccc2=C[C@H]([NH+]=c2c1)C(=O)N[*:1]
COc1ccccc1[C@H](N[C@@H]1CCOc2c(C)cc(C)cc21)c1ccccn1 COc1ccccc1[*:1] Cc1cc(C)c2OCC[C@@H](N[C@H](c3ccccn3)[*:1])c2c1
COc1ccccc1[C@H](N[C@@H]1CCOc2c(C)cc(C)cc21)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](N[C@@H]1CCOc2c(C)cc(C)cc21)[*:1]
CCS(=O)(=O)CCC[C@@H]([NH3+])[C@@H]1CSCCS1 CCS(=O)(=O)[*:1] [NH3+][C@H](CCC[*:1])[C@@H]1CSCCS1
CC(C)=CCC[C@@]1(C)CCC(=O)N(CCCn2cc[nH+]c2C)C1 CC(C)=CC[*:1] Cc1[nH+]ccn1CCCN1C[C@](C)(CCC1=O)C[*:1]
CC(C)=CCC[C@@]1(C)CCC(=O)N(CCCn2cc[nH+]c2C)C1 CC(C)=CCC[*:1] Cc1[nH+]ccn1CCCN1C[C@@](C)(CCC1=O)[*:1]
CC(C)=CCC[C@@]1(C)CCC(=O)N(CCCn2cc[nH+]c2C)C1 CC(C)=C[*:1] Cc1[nH+]ccn1CCCN1C[C@](C)(CCC1=O)CC[*:1]
CC(C)CC[C@H](C)NC(=O)CN1CCO[C@H](CO)C1 CC(C)C[*:1] C[C@@H](C[*:1])NC(=O)CN1CCO[C@H](CO)C1
CC(C)CC[C@H](C)NC(=O)CN1CCO[C@H](CO)C1 CC(C)CC[*:1] C[C@H](NC(=O)CN1CCO[C@H](CO)C1)[*:1]
CC(C)CC[C@H](C)NC(=O)CN1CCO[C@H](CO)C1 CC(C)[*:1] C[C@@H](CC[*:1])NC(=O)CN1CCO[C@H](CO)C1
Cc1cc(N)cc(C)c1S(=O)(=O)NCC1CC1 C1CC1[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)NC[*:1]
Cc1cc(N)cc(C)c1S(=O)(=O)NCC1CC1 C1CC1C[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)N[*:1]
C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@H](O)C1 CC(C)(C)CC[*:1] C[C@H](NC(=O)N1CCC[C@H](O)C1)[*:1]
C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@H](O)C1 CC(C)(C)[*:1] C[C@H](CC[*:1])NC(=O)N1CCC[C@H](O)C1
C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@H](O)C1 CC(C)(C)C[*:1] C[C@H](C[*:1])NC(=O)N1CCC[C@H](O)C1
C[NH+](C)CCOc1ccc(C(C)(C)c2ccccc2)cc1 c1ccc(cc1)[*:1] C[NH+](C)CCOc1ccc(cc1)C(C)(C)[*:1]
C[NH+](C)CC[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[NH+](C)CC[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)[*:1]
CC(=O)N[C@@H]1[C@@H](Sc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O c1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@H](O[C@@H]2CO[C@@H](O[C@@H]2[C@@H]1O)c1ccccc1)S[*:1]
CC(=O)N[C@@H]1[C@@H](Sc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O c1ccc(cc1)S[*:1] CC(=O)N[C@H]1[C@@H](O)[C@H]2O[C@H](OC[C@H]2O[C@H]1[*:1])c1ccccc1
CC(=O)N[C@@H]1[C@@H](Sc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O CC(=O)N[*:1] O[C@@H]1[C@@H]([C@H](O[C@@H]2CO[C@@H](O[C@@H]21)c1ccccc1)Sc1ccccc1)[*:1]
CC(=O)N[C@@H]1[C@@H](Sc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O c1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@H](O[C@@H]2CO[C@H](O[C@@H]2[C@@H]1O)[*:1])Sc1ccccc1
COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1OC c1cc2OCOc2cc1[*:1] COc1ccc(cc1OC)-c1cnn2c1N=C(O)C[C@H]2C(=O)N[*:1]
COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1OC COc1ccc(cc1OC)[*:1] O=C(Nc1ccc2OCOc2c1)[C@@H]1CC(O)=Nc2c(cnn21)[*:1]
C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2OC(F)F)C[C@H]1O FC(F)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)C(=O)Nc1ccccc1O[*:1]
C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2OC(F)F)C[C@H]1O FC(F)O[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)C(=O)Nc1ccccc1[*:1]
CC(=O)NCCN(Cc1cccc(F)c1)Cc1cccc(F)c1 CC(=O)N[*:1] Fc1cccc(c1)CN(CC[*:1])Cc1cccc(F)c1
CC(=O)NCCN(Cc1cccc(F)c1)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(=O)NCCN(Cc1cccc(F)c1)C[*:1]
CC(=O)NCCN(Cc1cccc(F)c1)Cc1cccc(F)c1 CC(=O)NC[*:1] Fc1cccc(c1)CN(Cc1cccc(F)c1)C[*:1]
CC(=O)NCCN(Cc1cccc(F)c1)Cc1cccc(F)c1 CC(=O)NCC[*:1] Fc1cccc(c1)CN(Cc1cccc(F)c1)[*:1]
CCc1nnc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)s1 CCc1nnc(s1)[*:1] C[C@H](Oc1ccc(C#N)cc1)C(=O)N[*:1]
Cn1c(CSCc2csc(-c3cccs3)n2)nnc1C1CC1 c1csc(c1)[*:1] Cn1c(CSCc2csc(n2)[*:1])nnc1C1CC1
Cn1c(CSCc2csc(-c3cccs3)n2)nnc1C1CC1 C1CC1[*:1] Cn1c(CSCc2csc(n2)-c2cccs2)nnc1[*:1]
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1ccc(Cl)nc1 O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])S(=O)(=O)N(C)Cc1ccc(Cl)nc1
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] Cc1c(cccc1S(=O)(=O)N(C)C[*:1])[N+](=O)[O-]
CCC[C@H](CN1C(=O)[C@@H](C)[C@@H](C)C1=O)[NH2+]C CCC[*:1] C[NH2+][C@@H](CN1C(=O)[C@@H](C)[C@@H](C)C1=O)[*:1]
Cc1nc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c(-c2ccccc2)s1 CC(C)c1ccc(cc1)C[*:1] Cc1nc(C(=O)N([C@@H]2CCS(=O)(=O)C2)[*:1])c(s1)-c1ccccc1
Cc1nc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c(-c2ccccc2)s1 CC(C)[*:1] Cc1nc(C(=O)N(Cc2ccc(cc2)[*:1])[C@@H]2CCS(=O)(=O)C2)c(s1)-c1ccccc1
Cc1nc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c(-c2ccccc2)s1 CC(C)c1ccc(cc1)[*:1] Cc1nc(C(=O)N(C[*:1])[C@@H]2CCS(=O)(=O)C2)c(s1)-c1ccccc1
Cc1nc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c(-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C(=O)N(Cc2ccc(cc2)C(C)C)[C@@H]2CCS(=O)(=O)C2)c(s1)[*:1]
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cnccc23)C1 CCOC(=O)[*:1] O=S(=O)(c1cccc2cnccc12)N1CCC[C@H](C1)[*:1]
COC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O COC(=O)[*:1] O=C1c2ccccc2[S@@](=O)c2ccc(cc2N1Cc1cccc(Cl)c1)[*:1]
COC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O Clc1cccc(c1)[*:1] COC(=O)c1ccc2c(c1)N(C[*:1])C(=O)c1ccccc1[S@]2=O
COC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O Clc1cccc(c1)C[*:1] COC(=O)c1ccc2c(c1)N(C(=O)c1ccccc1[S@]2=O)[*:1]
COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)ccc1O COc1cc(ccc1O)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2[*:1]
O[C@H](CN1CCOCC1)CN1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O[C@H](CN1CCOCC1)CN1CCN(CC1)[*:1]
O[C@H](CN1CCOCC1)CN1CCN(c2cccc(Cl)c2)CC1 C1CN(CCO1)[*:1] O[C@@H](CN1CCN(CC1)c1cccc(Cl)c1)C[*:1]
O[C@H](CN1CCOCC1)CN1CCN(c2cccc(Cl)c2)CC1 C1CN(CCO1)C[*:1] O[C@H](CN1CCN(CC1)c1cccc(Cl)c1)[*:1]
O=C([O-])CCC(=O)c1ccc(Cl)cc1 O=C([O-])C[*:1] O=C(C[*:1])c1ccc(Cl)cc1
O=C([O-])CCC(=O)c1ccc(Cl)cc1 O=C([O-])[*:1] O=C(CC[*:1])c1ccc(Cl)cc1
COc1ccc(CN(C)C(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1F COc1ccc(cc1F)[*:1] CN(C[*:1])C(=O)Cn1cnc2c(oc3ccccc32)c1=O
CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccnc1OC COc1ccc(cc1)[*:1] CCN(C[*:1])C(=O)NCc1cccnc1OC
CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccnc1OC COc1ncccc1[*:1] CCN(Cc1ccc(cc1)OC)C(=O)NC[*:1]
CCO[C@@H](C)c1noc(CN2CCc3ccc(F)cc3[C@@H]2C)n1 CCO[*:1] C[C@H]1c2cc(F)ccc2CCN1Cc1nc(no1)[C@H](C)[*:1]
CCO[C@@H](C)c1noc(CN2CCc3ccc(F)cc3[C@@H]2C)n1 CCO[C@@H](C)[*:1] C[C@H]1c2cc(F)ccc2CCN1Cc1nc(no1)[*:1]
Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)C4CCCCC4)[C@H]3C2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@H](NC(=O)[*:1])[C@H]2C1
Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)C4CCCCC4)[C@H]3C2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@H]1C[C@@H]2CN(C[C@@H]21)S(=O)(=O)[*:1])C1CCCCC1
O=C(Nc1ccn(CCc2ccncc2)n1)c1ccn(-c2cccc(F)c2)n1 c1cc(ccn1)CC[*:1] O=C(Nc1ccn(n1)[*:1])c1ccn(n1)-c1cccc(F)c1
O=C(Nc1ccn(CCc2ccncc2)n1)c1ccn(-c2cccc(F)c2)n1 c1cc(ccn1)C[*:1] O=C(Nc1ccn(C[*:1])n1)c1ccn(n1)-c1cccc(F)c1
O=C(Nc1ccn(CCc2ccncc2)n1)c1ccn(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] O=C(Nc1ccn(CCc2ccncc2)n1)c1ccn(n1)[*:1]
O=C(Nc1ccn(CCc2ccncc2)n1)c1ccn(-c2cccc(F)c2)n1 c1cc(ccn1)[*:1] O=C(Nc1ccn(CC[*:1])n1)c1ccn(n1)-c1cccc(F)c1
C[NH+](C)[C@H]1CC[C@H](NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1 C1CC1[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N(Cc1ccc(Cl)cc1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N(C[*:1])C1CC1
CCC(CC)(CNC(=O)C1C(C)(C)C1(C)C)S(C)(=O)=O CS(=O)(=O)[*:1] CCC(CC)(CNC(=O)C1C(C)(C)C1(C)C)[*:1]
O=C(/C=C/Sc1nc2ccccc2o1)c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/Sc1nc2ccccc2o1)[*:1]
CCOc1ccc2c(c1)sc(N)[n+]2Cc1cc(C)cc2cccnc12 CCO[*:1] Cc1cc(C[n+]2c(N)sc3cc(ccc32)[*:1])c2ncccc2c1
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(CO)cc2)C1 c1ccc(cc1)C[*:1] O=C(C[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)CO
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(CO)cc2)C1 OCc1ccc(cc1)[*:1] O=C(CCc1ccccc1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(CO)cc2)C1 c1ccc(cc1)CC[*:1] O=C(c1ccc(cc1)CO)N1CCC[C@H](C1)C(=O)[*:1]
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(CO)cc2)C1 c1ccc(cc1)[*:1] O=C(CC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)CO
C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)[C@H](C)c1ccccc1 NC(=O)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1F)[*:1])[C@H](C)c1ccccc1
C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1F)C(N)=O)[C@H](C)[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1F)C(N)=O)[*:1]
CCc1ncc(CN2CCC[C@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 CCc1ncc(cn1)C[*:1] FC(F)(F)c1cccc(c1)-c1cncc(n1)[C@H]1CCCN(C1)[*:1]
CCc1ncc(CN2CCC[C@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 CCc1ncc(cn1)[*:1] FC(F)(F)c1cccc(c1)-c1cncc(n1)[C@H]1CCCN(C1)C[*:1]
CCc1ncc(CN2CCC[C@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 FC(F)(F)[*:1] CCc1ncc(cn1)CN1CCC[C@@H](C1)c1cncc(n1)-c1cccc(c1)[*:1]
CCc1ncc(CN2CCC[C@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 FC(F)(F)c1cccc(c1)[*:1] CCc1ncc(cn1)CN1CCC[C@@H](C1)c1cncc(n1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2cc(Cl)ccc2Cl)cc1 Cc1ccc(cc1)[*:1] CN1CCN(CC1)C(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2cc(Cl)ccc2Cl)cc1 Clc1ccc(Cl)c(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCN(C)CC1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2cc(Cl)ccc2Cl)cc1 CN1CCN(CC1)C(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1cc(Cl)ccc1Cl
Cc1c([C@@H]2[C@@H]([NH3+])CCN2C2CC2)cnn1C C1CC1[*:1] Cc1c(cnn1C)[C@@H]1[C@@H]([NH3+])CCN1[*:1]
CCOc1ccc([C@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 CCO[*:1] C[C@H](NC(=O)CCc1nc2sc3CCCc3c2c(=O)[nH]1)c1ccc(cc1)[*:1]
CCOc1ccc([C@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 CCOc1ccc(cc1)[*:1] C[C@H](NC(=O)CCc1nc2sc3CCCc3c2c(=O)[nH]1)[*:1]
C=CCN1C(=O)NC(=N)C1(CCC)CCC C=CC[*:1] CCCC1(CCC)C(=N)NC(=O)N1[*:1]
C=CCN1C(=O)NC(=N)C1(CCC)CCC CCC[*:1] C=CCN1C(=O)NC(=N)C1(CCC)[*:1]
CN(CC1CCCCC1)C(=O)CSc1nncn1C1CC1 C1CCC(CC1)[*:1] CN(C[*:1])C(=O)CSc1nncn1C1CC1
CN(CC1CCCCC1)C(=O)CSc1nncn1C1CC1 C1CCC(CC1)C[*:1] CN(C(=O)CSc1nncn1C1CC1)[*:1]
CN(CC1CCCCC1)C(=O)CSc1nncn1C1CC1 C1CC1[*:1] CN(CC1CCCCC1)C(=O)CSc1nncn1[*:1]
CCOC(=O)C1(C)CCN(Cn2cnc3cc(C)c(C)cc32)CC1 CCOC(=O)[*:1] Cc1cc2ncn(CN3CCC(C)(CC3)[*:1])c2cc1C
C[C@H](NC(=O)CC/C=C/c1ccccc1)c1ccc(-c2cncnc2)cc1 C(=C[*:1])c1ccccc1 C[C@H](NC(=O)CC[*:1])c1ccc(cc1)-c1cncnc1
C[C@H](NC(=O)CC/C=C/c1ccccc1)c1ccc(-c2cncnc2)cc1 C(=C/c1ccccc1)\C[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1cncnc1
C[C@H](NC(=O)CC/C=C/c1ccccc1)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H](NC(=O)CC/C=C/c1ccccc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CC/C=C/c1ccccc1)c1ccc(-c2cncnc2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CCC=C[*:1])c1ccc(cc1)-c1cncnc1
Cc1cc(NC(=O)C[NH+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)C[NH+]2CCCN(CC2)c2ccc(cn2)C(F)(F)F)n(n1)[*:1]
Cc1cc(NC(=O)C[NH+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)n(-c2ccccc2)n1 FC(F)(F)[*:1] Cc1cc(NC(=O)C[NH+]2CCCN(CC2)c2ccc(cn2)[*:1])n(n1)-c1ccccc1
Cc1cc(NC(=O)C[NH+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)n(-c2ccccc2)n1 FC(F)(F)c1ccc(nc1)[*:1] Cc1cc(NC(=O)C[NH+]2CCCN(CC2)[*:1])n(n1)-c1ccccc1
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)Cc2cccs2)c1 c1csc(c1)[*:1] CC(C)C(=O)Nc1cccc(c1)NC(=O)C(=O)N(C)C[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)Cc2cccs2)c1 CC(C)C(=O)N[*:1] CN(Cc1cccs1)C(=O)C(=O)Nc1cccc(c1)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)Cc2cccs2)c1 c1csc(c1)C[*:1] CC(C)C(=O)Nc1cccc(c1)NC(=O)C(=O)N(C)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)Cc2cccs2)c1 CC(C)[*:1] CN(Cc1cccs1)C(=O)C(=O)Nc1cccc(c1)NC(=O)[*:1]
Cc1cccc(N2CCN(c3nc(C(F)(F)F)cc(=O)[nH]3)CC2)c1C Cc1cccc(c1C)[*:1] O=c1cc(nc([nH]1)N1CCN(CC1)[*:1])C(F)(F)F
Cc1cccc(N2CCN(c3nc(C(F)(F)F)cc(=O)[nH]3)CC2)c1C FC(F)(F)[*:1] Cc1cccc(c1C)N1CCN(CC1)c1nc(cc(=O)[nH]1)[*:1]
O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 C1CC(C1)[*:1] O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H](C)C1CC1 CC(C)(C)[*:1] CO[C@H]1CN(C[C@@H]1[NH2+][C@@H](C)C1CC1)C(=O)O[*:1]
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] CO[C@H]1CN(C[C@@H]1[NH2+][*:1])C(=O)OC(C)(C)C
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H](C)C1CC1 C1CC1[*:1] CO[C@H]1CN(C[C@@H]1[NH2+][C@@H](C)[*:1])C(=O)OC(C)(C)C
Cc1cc(C)c(C#N)c(S[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)n1 CC(C)[*:1] Cc1cc(C)c(C#N)c(n1)S[C@@H](C(=O)N1CCC[C@H](C1)C(N)=O)[*:1]
Cc1cc(C)c(C#N)c(S[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)n1 NC(=O)[*:1] Cc1cc(C)c(C#N)c(n1)S[C@@H](C(=O)N1CCC[C@@H](C1)[*:1])C(C)C
O=C1C[C@@H](c2ccccc2)N=C(SCC(=O)Nc2cccc3ccccc23)N1 c1ccc(cc1)[*:1] O=C1C[C@@H](N=C(N1)SCC(=O)Nc1cccc2ccccc12)[*:1]
O=C(c1cccnc1Oc1cccnc1)N1CCSC2(CCCCC2)C1 c1cncc(c1)O[*:1] O=C(c1cccnc1[*:1])N1CCSC2(CCCCC2)C1
O=C(c1cccnc1Oc1cccnc1)N1CCSC2(CCCCC2)C1 c1cncc(c1)[*:1] O=C(c1cccnc1O[*:1])N1CCSC2(CCCCC2)C1
Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H](C)CCC(C)(C)C CC(C)(C)CC[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@@H](C)[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H](C)CCC(C)(C)C CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@@H](C)CC[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H](C)CCC(C)(C)C CC(C)(C)C[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@@H](C)C[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H](C)CCC(C)(C)C NC(=O)[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@@H](C)CCC(C)(C)C)[*:1]
C[NH+](CCCl)C1CCCCC1 ClCC[*:1] C[NH+](C1CCCCC1)[*:1]
COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl COC(=O)[*:1] O=S(=O)(c1ccccc1Cl)N(C[*:1])n1cnnc1
COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)CN(n1cnnc1)S(=O)(=O)[*:1]
COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl COC(=O)C[*:1] O=S(=O)(c1ccccc1Cl)N(n1cnnc1)[*:1]
Cc1cc(S(=O)(=O)Nc2cccc(-n3nnnc3C)c2)ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)Nc1cccc(c1)-n1nnnc1C
Cc1cc(S(=O)(=O)Nc2cccc(-n3nnnc3C)c2)ccc1OC(C)C Cc1nnnn1[*:1] Cc1cc(ccc1OC(C)C)S(=O)(=O)Nc1cccc(c1)[*:1]
Cc1cc(S(=O)(=O)Nc2cccc(-n3nnnc3C)c2)ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])S(=O)(=O)Nc1cccc(c1)-n1nnnc1C
COCc1ccccc1NC(=O)[C@H](C)[NH+]1CCCCCC1 COC[*:1] C[C@@H](C(=O)Nc1ccccc1[*:1])[NH+]1CCCCCC1
Brc1ccc(Cn2c([C@H]3CCCO3)nc3ccccc32)cc1 Brc1ccc(cc1)[*:1] c1ccc2c(c1)nc([C@H]1CCCO1)n2C[*:1]
CC(C)(C)[NH2+]Cc1cc(C(=O)[O-])cs1 CC(C)(C)[*:1] O=C([O-])c1csc(c1)C[NH2+][*:1]
CC(C)(C)[NH2+]Cc1cc(C(=O)[O-])cs1 O=C([O-])[*:1] CC(C)(C)[NH2+]Cc1cc(cs1)[*:1]
Nc1nnc(SCc2cccc3c2OCCO3)s1 Nc1nnc(s1)[*:1] c1cc(CS[*:1])c2OCCOc2c1
C[C@@H]([NH2+]Cc1cccc(F)c1F)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H]([NH2+]Cc1cccc(F)c1F)c1ccc(cc1)[*:1]
O=C([O-])Cc1ccc(-c2ccc(Cl)cc2)cc1 O=C([O-])[*:1] Clc1ccc(cc1)-c1ccc(cc1)C[*:1]
O=C([O-])Cc1ccc(-c2ccc(Cl)cc2)cc1 O=C([O-])C[*:1] Clc1ccc(cc1)-c1ccc(cc1)[*:1]
CCc1nc(C(=O)Nc2cc(C(=O)OC)ccc2F)n[nH]1 CCc1nc(n[nH]1)[*:1] COC(=O)c1ccc(F)c(c1)NC(=O)[*:1]
CCc1nc(C(=O)Nc2cc(C(=O)OC)ccc2F)n[nH]1 COC(=O)[*:1] CCc1nc(n[nH]1)C(=O)Nc1cc(ccc1F)[*:1]
CCOc1ccc(-c2cc(=O)oc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 CCO[*:1] O=c1cc(nc(o1)-c1ccc(cc1)[N+](=O)[O-])-c1ccc(cc1)[*:1]
CCOc1ccc(-c2cc(=O)oc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)-c1cc(=O)oc(n1)-c1ccc(cc1)[*:1]
CCC[C@@H]1CN(C(=O)Nc2ccc(C(C)C)cc2)CCO1 CCC[*:1] CC(C)c1ccc(cc1)NC(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)Nc2ccc(C(C)C)cc2)CCO1 CC(C)[*:1] CCC[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)[*:1]
C[NH+](Cc1ccccc1OCC(=O)N1CCCC1)C1CCC1 O=C(N1CCCC1)[*:1] C[NH+](Cc1ccccc1OC[*:1])C1CCC1
C[NH+](Cc1ccccc1OCC(=O)N1CCCC1)C1CCC1 C1CC(C1)[*:1] C[NH+](Cc1ccccc1OCC(=O)N1CCCC1)[*:1]
CN1CCCc2cc(C(=O)N3CCC[C@@H](c4ccc(-c5cn[nH]c5)cn4)C3)ccc21 c1n[nH]cc1[*:1] CN1CCCc2cc(ccc21)C(=O)N1CCC[C@H](C1)c1ccc(cn1)[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)NCCC(=O)NCc1ccncc1 c1cc(ccn1)[*:1] CO[C@H]1CCCC[C@H]1NC(=O)NCCC(=O)NC[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)NCCC(=O)NCc1ccncc1 c1cc(ccn1)C[*:1] CO[C@H]1CCCC[C@H]1NC(=O)NCCC(=O)N[*:1]
O=C(Nc1nc2c(s1)CCc1ccccc1-2)[C@H]1CCCN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1nc2-c3ccccc3CCc2s1)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1ncsc1CCC(=O)N1CCC2(CC[NH2+]CC2)CC1 Cc1ncsc1[*:1] O=C(CC[*:1])N1CCC2(CC[NH2+]CC2)CC1
Cc1ncsc1CCC(=O)N1CCC2(CC[NH2+]CC2)CC1 Cc1ncsc1C[*:1] O=C(C[*:1])N1CCC2(CC[NH2+]CC2)CC1
Cc1ccc(C(=O)N2CCO[C@@H](C(N)=S)C2)cn1 NC(=S)[*:1] Cc1ccc(cn1)C(=O)N1CCO[C@@H](C1)[*:1]
Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc(F)c4)nc3C2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)[C@H]1CC(=O)c2cnc(nc2C1)NC(=O)[*:1]
Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc(F)c4)nc3C2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ncc2C(=O)C[C@@H](Cc2n1)[*:1])c1cccc(F)c1
Cc1ccc(S(=O)(=O)N/N=C2/[C@@H]3CC=C[C@H]3C2(C)C)cc1 Cc1ccc(cc1)[*:1] CC1(C)/C(=N\NS(=O)(=O)[*:1])[C@@H]2CC=C[C@H]21
CC[C@@H](C)NC(=O)c1nc(-c2oc3c(C)cccc3c2C)no1 CC[C@@H](C)NC(=O)[*:1] Cc1c(oc2c(C)cccc12)-c1noc(n1)[*:1]
CC[C@@H](C)NC(=O)c1nc(-c2oc3c(C)cccc3c2C)no1 CC[C@@H](C)[*:1] Cc1c(oc2c(C)cccc12)-c1noc(n1)C(=O)N[*:1]
CCCN1C(=O)CCc2cc(NC(=O)/C=C(/C)C3CC3)ccc21 CCC[*:1] C/C(=C/C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1])C1CC1
CCCN1C(=O)CCc2cc(NC(=O)/C=C(/C)C3CC3)ccc21 C1CC1[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)C=C(C)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)/C=C(/C)C3CC3)ccc21 CC(=C[*:1])C1CC1 CCCN1C(=O)CCc2cc(ccc21)NC(=O)[*:1]
Cc1sc(NC(=O)C2CC2)c(C(=O)N(C)c2ccc(F)cc2)c1C C1CC1[*:1] Cc1sc(NC(=O)[*:1])c(C(=O)N(C)c2ccc(F)cc2)c1C
Cc1sc(NC(=O)C2CC2)c(C(=O)N(C)c2ccc(F)cc2)c1C O=C(N[*:1])C1CC1 Cc1sc(c(C(=O)N(C)c2ccc(F)cc2)c1C)[*:1]
Cc1sc(NC(=O)C2CC2)c(C(=O)N(C)c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] Cc1sc(NC(=O)C2CC2)c(C(=O)N(C)[*:1])c1C
C#CCN(CC(=O)[O-])C(=O)Cc1csc(-c2ccsc2)n1 C#CC[*:1] O=C([O-])CN(C(=O)Cc1csc(n1)-c1ccsc1)[*:1]
C#CCN(CC(=O)[O-])C(=O)Cc1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] C#CCN(CC(=O)[O-])C(=O)Cc1csc(n1)[*:1]
C#CCN(CC(=O)[O-])C(=O)Cc1csc(-c2ccsc2)n1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)Cc1csc(n1)-c1ccsc1
C#CCN(CC(=O)[O-])C(=O)Cc1csc(-c2ccsc2)n1 O=C([O-])C[*:1] C#CCN(C(=O)Cc1csc(n1)-c1ccsc1)[*:1]
Cn1c(=C(C#N)C#N)s/c(=C\c2cnn(C(C)(C)C)c2)c1=O CC(C)(C)[*:1] Cn1c(s/c(=C\c2cnn(c2)[*:1])c1=O)=C(C#N)C#N
COC(=O)[C@H](C)Sc1nc([O-])cc(C(F)(F)F)n1 COC(=O)[C@H](C)[*:1] [O-]c1cc(nc(n1)S[*:1])C(F)(F)F
COC(=O)[C@H](C)Sc1nc([O-])cc(C(F)(F)F)n1 FC(F)(F)[*:1] COC(=O)[C@H](C)Sc1nc([O-])cc(n1)[*:1]
COC(=O)[C@H](C)Sc1nc([O-])cc(C(F)(F)F)n1 COC(=O)[*:1] C[C@H](Sc1nc([O-])cc(n1)C(F)(F)F)[*:1]
Cc1cc(C)cc(C(=O)N(C)[C@H](C)Cc2ccsc2)c1 c1cc(cs1)[*:1] Cc1cc(C)cc(c1)C(=O)N(C)[C@H](C)C[*:1]
Cc1cc(C)cc(C(=O)N(C)[C@H](C)Cc2ccsc2)c1 c1cc(cs1)C[*:1] Cc1cc(C)cc(c1)C(=O)N(C)[C@H](C)[*:1]
CCOC(=O)/N=c1\[nH]c2ccc(/C=C/c3ccc(O)cc3)cc2[nH]1 Oc1ccc(cc1)[*:1] CCOC(=O)/N=c1\[nH]c2ccc(C=C[*:1])cc2[nH]1
COc1cccc(CCC(=O)N2CCC(c3nc(C)cs3)CC2)c1 COc1cccc(c1)[*:1] Cc1csc(n1)C1CCN(CC1)C(=O)CC[*:1]
COc1cccc(CCC(=O)N2CCC(c3nc(C)cs3)CC2)c1 Cc1csc(n1)[*:1] COc1cccc(c1)CCC(=O)N1CCC(CC1)[*:1]
Cc1ccc([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)NCc1cc[nH+]c(c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)o1 Cc1ccc(o1)[C@@H](C)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCOCC1)N[*:1]
Cc1ccc([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)NCc1cc[nH+]c(c1)N1CCOCC1)[*:1]
C[C@@H](C[NH2+]C1CC1)Cc1nccs1 C1CC1[*:1] C[C@@H](C[NH2+][*:1])Cc1nccs1
CC(C)c1nsc(N[C@H](C)[C@H](O)c2ccc(Cl)cc2)n1 CC(C)[*:1] C[C@@H](Nc1nc(ns1)[*:1])[C@H](O)c1ccc(Cl)cc1
CC(=O)c1ccc(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 C1CC1[*:1] CC(=O)c1ccc(cc1)NC(=O)N[C@@H](c1ccc2OCCOc2c1)[*:1]
CC(=O)c1ccc(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H](c1ccc2OCCOc2c1)C1CC1
CC(=O)c1ccc(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(N[C@@H](c1ccc2OCCOc2c1)C1CC1)N[*:1]
Cc1cc(C)nc(NNC(=O)c2cc(C)nc3c2cnn3C(C)C)n1 CC(C)[*:1] Cc1cc(C)nc(n1)NNC(=O)c1cc(C)nc2c1cnn2[*:1]
Cc1cc(C)nc(NNC(=O)c2cc(C)nc3c2cnn3C(C)C)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(C(=O)NN[*:1])c2cnn(c2n1)C(C)C
COC1CCC(CC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] COC1CCC(CC1)CC(=O)Nc1c(C)cccc1[*:1]
COC1CCC(CC(=O)Nc2c(C)cccc2C(=O)N2CCCC2)CC1 COC1CCC(CC1)[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C[*:1]
CCc1ccc([C@@H](C)NC(=O)Nc2cccc(CN(CC)C(C)=O)c2)cc1 CCc1ccc(cc1)[*:1] CCN(Cc1cccc(c1)NC(=O)N[C@H](C)[*:1])C(C)=O
CCc1ccc([C@@H](C)NC(=O)Nc2cccc(CN(CC)C(C)=O)c2)cc1 CCN(C[*:1])C(C)=O CCc1ccc(cc1)[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
CCc1ccc([C@@H](C)NC(=O)Nc2cccc(CN(CC)C(C)=O)c2)cc1 CCN(C(C)=O)[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)Nc1cccc(c1)C[*:1]
COCC(=O)Nc1ccc(-c2nc(Cn3cccn3)c(C)o2)cc1 COCC(=O)N[*:1] Cc1oc(nc1Cn1cccn1)-c1ccc(cc1)[*:1]
COCC(=O)Nc1ccc(-c2nc(Cn3cccn3)c(C)o2)cc1 c1cnn(c1)C[*:1] COCC(=O)Nc1ccc(cc1)-c1nc(c(C)o1)[*:1]
COCC(=O)Nc1ccc(-c2nc(Cn3cccn3)c(C)o2)cc1 COC[*:1] Cc1oc(nc1Cn1cccn1)-c1ccc(cc1)NC(=O)[*:1]
COCC(=O)Nc1ccc(-c2nc(Cn3cccn3)c(C)o2)cc1 c1cnn(c1)[*:1] COCC(=O)Nc1ccc(cc1)-c1nc(C[*:1])c(C)o1
CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1 CS(=O)(=O)[*:1] O=C(c1cc(ccc1Cl)[*:1])N1CCN(CC1)Cc1ccccc1
CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)[*:1]
CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)C[*:1]
C=C(C)CS[C@@H]1N=Nc2nc3ccccc3n21 C=C(C)[*:1] c1ccc2c(c1)nc1N=N[C@@H](SC[*:1])n12
C=C(C)CS[C@@H]1N=Nc2nc3ccccc3n21 C=C(C)C[*:1] c1ccc2c(c1)nc1N=N[C@@H](S[*:1])n12
C=C(C)CS[C@@H]1N=Nc2nc3ccccc3n21 C=C(C)CS[*:1] c1ccc2c(c1)nc1N=N[C@H](n12)[*:1]
CC(C)[NH+](CC#CCNS(=O)(=O)N(C)C)C(C)C CC(C)[*:1] CC(C)[NH+](CC#CCNS(=O)(=O)N(C)C)[*:1]
COc1cc2ncnc(Nc3cccc(C(C)=O)c3)c2cc1OC CC(=O)[*:1] COc1cc2ncnc(Nc3cccc(c3)[*:1])c2cc1OC
C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl C=CC[*:1] C=CCN(C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl)[*:1]
C/C(=N\NC(=O)c1cccs1)c1cccnc1 c1csc(c1)[*:1] C/C(=N\NC(=O)[*:1])c1cccnc1
COc1ccccc1[C@H](C)N(C)C(=O)c1cn[nH]c1C Cc1[nH]ncc1[*:1] COc1ccccc1[C@H](C)N(C)C(=O)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 c1cc(co1)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 CCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccoc1
CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 CCCNC(=O)[*:1] O=C(c1ccoc1)N1CCC[C@H](C1)[*:1]
COc1c(NC(=O)C(=O)Nc2ccnn2CCc2ccccc2)c(C)nn1C COc1c(c(C)nn1C)[*:1] O=C(Nc1ccnn1CCc1ccccc1)C(=O)N[*:1]
COc1c(NC(=O)C(=O)Nc2ccnn2CCc2ccccc2)c(C)nn1C c1ccc(cc1)[*:1] COc1c(NC(=O)C(=O)Nc2ccnn2CC[*:1])c(C)nn1C
COc1c(NC(=O)C(=O)Nc2ccnn2CCc2ccccc2)c(C)nn1C c1ccc(cc1)C[*:1] COc1c(NC(=O)C(=O)Nc2ccnn2C[*:1])c(C)nn1C
COc1c(NC(=O)C(=O)Nc2ccnn2CCc2ccccc2)c(C)nn1C c1ccc(cc1)CC[*:1] COc1c(NC(=O)C(=O)Nc2ccnn2[*:1])c(C)nn1C
CCOC(=O)C1(C(C)=O)CC(C)(C)C1 CC(=O)[*:1] CCOC(=O)C1(CC(C)(C)C1)[*:1]
COc1ccc([C@@H]2N=N/C(=[NH+]/C(=O)Nc3ccccc3)S2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1N=N/C(=[NH+]/C(=O)N[*:1])S1
Cc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1nnc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])o1
Cc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1nnc(o1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(/C=C/c1ccc(Br)o1)NCCC1=CCCCC1 Brc1ccc(o1)[*:1] O=C(C=C[*:1])NCCC1=CCCCC1
CC(C)[NH2+]C[C@H](O)C(=O)N[C@@H](C)[C@@H]1COc2ccccc2O1 CC(C)[*:1] C[C@H](NC(=O)[C@@H](O)C[NH2+][*:1])[C@@H]1COc2ccccc2O1
CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl CC(=O)NCCN[*:1] Cn1c(=O)c2c(nc(n2Cc2c(F)cccc2Cl)[*:1])n(C)c1=O
CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl CC(=O)NC[*:1] Cn1c(=O)c2c(nc(NC[*:1])n2Cc2c(F)cccc2Cl)n(C)c1=O
CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl CC(=O)N[*:1] Cn1c(=O)c2c(nc(NCC[*:1])n2Cc2c(F)cccc2Cl)n(C)c1=O
CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl Fc1cccc(Cl)c1C[*:1] CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl CC(=O)NCC[*:1] Cn1c(=O)c2c(nc(N[*:1])n2Cc2c(F)cccc2Cl)n(C)c1=O
CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] CC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
CCSC1(CNC(=O)/C=C(/C)c2cccc(F)c2)CCOCC1 CCS[*:1] C/C(=C/C(=O)NCC1(CCOCC1)[*:1])c1cccc(F)c1
CCSC1(CNC(=O)/C=C(/C)c2cccc(F)c2)CCOCC1 Fc1cccc(c1)[*:1] CCSC1(CCOCC1)CNC(=O)C=C(C)[*:1]
C/C(=N\Nc1nc(SCC(=O)c2ccc3c(c2)OCO3)n[nH]1)c1ccc(F)cc1 c1cc2OCOc2cc1[*:1] C/C(=N\Nc1nc(n[nH]1)SCC(=O)[*:1])c1ccc(F)cc1
C/C(=N\Nc1nc(SCC(=O)c2ccc3c(c2)OCO3)n[nH]1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=NNc1nc(n[nH]1)SCC(=O)c1ccc2OCOc2c1)[*:1]
CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)[*:1]
CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1ccc(Cl)cc1 Cc1ccccc1[*:1] CCOC(=O)c1nn(c(=O)cc1NC(=O)c1ccc(Cl)cc1)[*:1]
CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1ccc(Cl)cc1 CCOC(=O)[*:1] Cc1ccccc1-n1nc(c(cc1=O)NC(=O)c1ccc(Cl)cc1)[*:1]
Cc1cccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)o2)c1 Cc1cccc(c1)[*:1] N#Cc1c(NC(=O)CSc2nnc(o2)[*:1])sc2CCCc21
CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)CC1 CC(C)C[*:1] CC(=O)N1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
CC(C)(C)C(=O)N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl CC(C)(C)[*:1] O=C(N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl)[*:1]
CC(C)(C)C(=O)N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl C1CCN(CC1)[*:1] CC(C)(C)C(=O)N[C@@H](C(Cl)(Cl)Cl)[*:1]
CC(C)(C)C(=O)N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CC(C)(C)C(=O)N[C@@H](N1CCCCC1)[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 COC(=O)[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCc2c1cccc2[*:1]
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@H](CN1c1ccc(Cl)cc1)c1nc2ccccc2n1C[*:1]
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccc(Cl)cc1 Fc1ccc(cc1)C[*:1] O=C1C[C@H](CN1c1ccc(Cl)cc1)c1nc2ccccc2n1[*:1]
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C[C@H](CN1[*:1])c1nc2ccccc2n1Cc1ccc(F)cc1
CCOc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1Br c1cncc(c1)[*:1] CCOc1ccc(cc1Br)C(=O)NC(=S)N[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1Br CCO[*:1] O=C(NC(=S)Nc1cccnc1)c1ccc(c(Br)c1)[*:1]
CCOC(=O)c1c(C)[nH]c(=O)c([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] CCOC(=O)c1c(C)[nH]c(=O)c(c1[O-])[*:1]
CCOC(=O)c1c(C)[nH]c(=O)c([N+](=O)[O-])c1[O-] CCOC(=O)[*:1] Cc1[nH]c(=O)c(c([O-])c1[*:1])[N+](=O)[O-]
COc1ccc([C@H](C)NC(=O)c2cccc(I)c2)cc1OC Ic1cccc(c1)[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)[*:1]
Cc1nnnn1CC(=O)N1CC[C@](C)(O)[C@H](C)C1 Cc1nnnn1[*:1] C[C@@H]1CN(CC[C@]1(C)O)C(=O)C[*:1]
Cc1cc(C)cc(OCCNC(=O)Nc2nncs2)c1 c1nnc(s1)[*:1] Cc1cc(C)cc(c1)OCCNC(=O)N[*:1]
CC(C)(C)CC1=NN=C2CCN(C(=O)c3coc4c3C(=O)CCC4)C[C@@H]21 CC(C)(C)[*:1] O=C1CCCc2occ(C(=O)N3CCC4=NN=C(C[*:1])[C@H]4C3)c21
CC(C)(C)CC1=NN=C2CCN(C(=O)c3coc4c3C(=O)CCC4)C[C@@H]21 CC(C)(C)C[*:1] O=C1CCCc2occ(C(=O)N3CCC4=NN=C([C@H]4C3)[*:1])c21
CC[NH2+][C@H](c1ccc(C)c(F)c1)[C@@H](C)CC CC[C@H](C)[*:1] CC[NH2+][C@H](c1ccc(C)c(F)c1)[*:1]
O=C(C1=NN[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(C1=NN[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1])c1ccc(F)cc1
O=C(C1=NN[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1[C@H]2NN=C(C(=O)[*:1])[C@H]2C(=O)N1Cc1ccccc1
O=C(C1=NN[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(C1=NN[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12)c1ccc(F)cc1
CN(Cc1c(F)cccc1Cl)C(=O)CCc1nc(-c2cccnc2)no1 c1cncc(c1)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)CCc1nc(no1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)CCc1nc(-c2cccnc2)no1 Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)CCc1nc(no1)-c1cccnc1
C=CC[NH+]1CCN(c2ccccc2NC(=O)CSc2ccccn2)CC1 c1ccc(nc1)S[*:1] C=CC[NH+]1CCN(CC1)c1ccccc1NC(=O)C[*:1]
C=CC[NH+]1CCN(c2ccccc2NC(=O)CSc2ccccn2)CC1 c1ccc(nc1)[*:1] C=CC[NH+]1CCN(CC1)c1ccccc1NC(=O)CS[*:1]
C=CC[NH+]1CCN(c2ccccc2NC(=O)CSc2ccccn2)CC1 c1ccc(nc1)SC[*:1] C=CC[NH+]1CCN(CC1)c1ccccc1NC(=O)[*:1]
CN1C(=O)[C@]2(CCCN(C(=O)c3cn4ccsc4n3)C2)c2ccccc21 c1cn2cc(nc2s1)[*:1] CN1C(=O)[C@]2(CCCN(C2)C(=O)[*:1])c2ccccc21
Cc1ccccc1OCCOC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C Cc1ccccc1OC[*:1] CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OC[*:1]
Cc1ccccc1OCCOC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C Cc1ccccc1O[*:1] CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC[*:1]
Cc1ccccc1OCCOC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C Cc1ccccc1[*:1] CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCCO[*:1]
CCCOCC(=O)NC[C@H](O)c1ccc2ccccc2c1 CCCO[*:1] O=C(C[*:1])NC[C@H](O)c1ccc2ccccc2c1
CCCOCC(=O)NC[C@H](O)c1ccc2ccccc2c1 CCCOC[*:1] O=C(NC[C@H](O)c1ccc2ccccc2c1)[*:1]
CCCOCC(=O)NC[C@H](O)c1ccc2ccccc2c1 CCC[*:1] O=C(CO[*:1])NC[C@H](O)c1ccc2ccccc2c1
O=C([O-])C[C@H]1S/C(=N/N=C/c2cccc(Cl)c2)NC1=O O=C([O-])[*:1] O=C1N/C(=N\N=C\c2cccc(Cl)c2)S[C@@H]1C[*:1]
O=C([O-])C[C@H]1S/C(=N/N=C/c2cccc(Cl)c2)NC1=O O=C([O-])C[*:1] O=C1N/C(=N\N=C\c2cccc(Cl)c2)S[C@@H]1[*:1]
O=C1C[C@@H](C(=O)N2CCCSC[C@H]2CN2CCOCC2)CN1c1cccc(Br)c1 C1CN(CCO1)[*:1] O=C1C[C@H](CN1c1cccc(Br)c1)C(=O)N1CCCSC[C@H]1C[*:1]
O=C1C[C@@H](C(=O)N2CCCSC[C@H]2CN2CCOCC2)CN1c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCCSC[C@H]1CN1CCOCC1
O=C1C[C@@H](C(=O)N2CCCSC[C@H]2CN2CCOCC2)CN1c1cccc(Br)c1 C1CN(CCO1)C[*:1] O=C1C[C@H](CN1c1cccc(Br)c1)C(=O)N1CCCSC[C@@H]1[*:1]
Cc1cc(C)c2c(c1)N(CN1CCO[C@H](C)C1)C(=O)C2=O C[C@@H]1CN(CCO1)[*:1] Cc1cc(C)c2C(=O)C(=O)N(C[*:1])c2c1
Cc1nc(CCC[S@](=O)Cc2ccc(C(F)(F)F)cc2)cs1 Cc1nc(cs1)[*:1] O=[S@@](CCC[*:1])Cc1ccc(cc1)C(F)(F)F
Cc1nc(CCC[S@](=O)Cc2ccc(C(F)(F)F)cc2)cs1 FC(F)(F)[*:1] Cc1nc(cs1)CCC[S@](=O)Cc1ccc(cc1)[*:1]
Cc1nc(CCC[S@](=O)Cc2ccc(C(F)(F)F)cc2)cs1 Cc1nc(cs1)C[*:1] O=[S@@](CC[*:1])Cc1ccc(cc1)C(F)(F)F
COCCn1cnnc1S[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 COC[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Sc1nncn1C[*:1]
COCCn1cnnc1S[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 COCC[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Sc1nncn1[*:1]
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)NC(N)=O c1ccc(cc1)C[*:1] C[C@H](Sc1nnc(-c2ccc(F)cc2)n1[*:1])C(=O)NC(N)=O
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)NC(N)=O Fc1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1Cc1ccccc1)[*:1])C(=O)NC(N)=O
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)[*:1]
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)NC(N)=O c1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C[*:1])C(=O)NC(N)=O
Cc1ccc(CC(=O)N(CC(=O)N(C)C)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] CN(C)C(=O)CN(C(=O)C[*:1])c1ccccc1
Cc1ccc(CC(=O)N(CC(=O)N(C)C)c2ccccc2)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)CC(=O)N(C[*:1])c1ccccc1
Cc1ccc(CC(=O)N(CC(=O)N(C)C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CC(=O)N(CC(=O)N(C)C)[*:1]
Cc1ccc(CC(=O)N(CC(=O)N(C)C)c2ccccc2)cc1 CN(C)C(=O)C[*:1] Cc1ccc(cc1)CC(=O)N(c1ccccc1)[*:1]
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1nnc2n1CCCCC2 Cc1ccccc1[*:1] O=C(NCc1nnc2CCCCCn21)[C@@H]1C[C@H]1[*:1]
O=C(c1nc2ccccc2s1)N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 C1CN(CCO1)C[*:1] O=C(c1nc2ccccc2s1)N(CC[*:1])c1nc2c(F)cc(F)cc2s1
O=C(c1nc2ccccc2s1)N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 C(CN1CCOCC1)C[*:1] O=C(c1nc2ccccc2s1)N(c1nc2c(F)cc(F)cc2s1)[*:1]
O=C(c1nc2ccccc2s1)N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 C1CN(CCO1)[*:1] O=C(c1nc2ccccc2s1)N(CCC[*:1])c1nc2c(F)cc(F)cc2s1
O=C(c1nc2ccccc2s1)N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 c1ccc2sc(nc2c1)[*:1] O=C(N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1)[*:1]
O=C(c1nc2ccccc2s1)N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 C1CN(CCO1)CC[*:1] O=C(c1nc2ccccc2s1)N(C[*:1])c1nc2c(F)cc(F)cc2s1
Cc1ccc(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)cc1C C[C@H](C#N)O[*:1] Cc1ccc(cc1C)C(=O)/C=C/c1ccc(cc1)[*:1]
COc1ccc(C(=O)Nc2sc(C(=O)N3CCCCC3)c(C)c2C#N)cc1OC O=C(N1CCCCC1)[*:1] COc1ccc(cc1OC)C(=O)Nc1sc(c(C)c1C#N)[*:1]
C/C(=N\Nc1nnc2c(n1)[nH]c1c(C)cccc12)c1cccs1 c1csc(c1)[*:1] CC(=NNc1nnc2c(n1)[nH]c1c(C)cccc12)[*:1]
CCSc1ccc(C(=O)N[C@@](C)(C#N)CC)cn1 CCS[*:1] CC[C@](C)(C#N)NC(=O)c1ccc(nc1)[*:1]
CCSc1ccc(C(=O)N[C@@](C)(C#N)CC)cn1 CC[C@@](C)(C#N)[*:1] CCSc1ccc(cn1)C(=O)N[*:1]
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NNC(=O)c1cccs1 c1csc(c1)[*:1] O=C(CCCn1c(=O)oc2cc(ccc21)[N+](=O)[O-])NNC(=O)[*:1]
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NNC(=O)c1cccs1 O=[N+]([O-])[*:1] O=C(CCCn1c(=O)oc2cc(ccc21)[*:1])NNC(=O)c1cccs1
COc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CN(S(=O)(=O)c1ccc(F)cc1)[*:1]
COc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)N(CC(=O)N[*:1])S(=O)(=O)c1ccc(F)cc1
COc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)[*:1]
O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@H]1[*:1]
CCC(CC)(CO)NC(=O)Nc1ccc(C)c(C(=O)OC)c1 CCC(CC)(CO)[*:1] COC(=O)c1cc(ccc1C)NC(=O)N[*:1]
CCC(CC)(CO)NC(=O)Nc1ccc(C)c(C(=O)OC)c1 COC(=O)[*:1] CCC(CC)(CO)NC(=O)Nc1ccc(C)c(c1)[*:1]
C[C@H](NC(=O)[C@@H]1C=C(COc2ccc3c(c2)OCO3)N=N1)c1cnn(C)c1 c1cc2OCOc2cc1[*:1] C[C@H](NC(=O)[C@@H]1C=C(CO[*:1])N=N1)c1cnn(C)c1
C[C@H](NC(=O)[C@@H]1C=C(COc2ccc3c(c2)OCO3)N=N1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)[C@@H]1C=C(COc2ccc3OCOc3c2)N=N1)[*:1]
C[C@H](NC(=O)[C@@H]1C=C(COc2ccc3c(c2)OCO3)N=N1)c1cnn(C)c1 C[C@H](c1cnn(C)c1)[*:1] O=C(N[*:1])[C@@H]1C=C(COc2ccc3OCOc3c2)N=N1
Cc1cc(C(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)ccc1F Cc1cc(ccc1F)[*:1] O=C(N1CC[NH+](CCCc2nc(no2)-c2cccs2)CC1)[*:1]
Cc1cc(C(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)ccc1F c1csc(c1)[*:1] Cc1cc(ccc1F)C(=O)N1CC[NH+](CCCc2nc(no2)[*:1])CC1
CC(=O)[C@H]1CC(Cl)=C(Cl)C(Cl)=C1Cl CC(=O)[*:1] ClC1C[C@@H](C(Cl)=C(Cl)C=1Cl)[*:1]
O=C(c1ccccc1NCCn1c(=O)oc2ccccc21)N1CCC[C@@H](O)C1 O=C(N1CCC[C@@H](O)C1)[*:1] O=c1oc2ccccc2n1CCNc1ccccc1[*:1]
O=[N+]([O-])c1ccc2sc3c([O-])n(Cc4ccccn4)c(=S)nc3c2c1 O=[N+]([O-])[*:1] [O-]c1c2sc3ccc(cc3c2nc(=S)n1Cc1ccccn1)[*:1]
O=[N+]([O-])c1ccc2sc3c([O-])n(Cc4ccccn4)c(=S)nc3c2c1 c1ccc(C[*:1])nc1 O=[N+]([O-])c1ccc2sc3c([O-])n(c(=S)nc3c2c1)[*:1]
O=[N+]([O-])c1ccc2sc3c([O-])n(Cc4ccccn4)c(=S)nc3c2c1 c1ccc(nc1)[*:1] O=[N+]([O-])c1ccc2sc3c([O-])n(C[*:1])c(=S)nc3c2c1
CCOc1ccc(S(=O)(=O)N2CCCSC[C@H]2C[NH+]2CCCCC2)cc1 CCO[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCCSC[C@H]1C[NH+]1CCCCC1
O=C(COc1csc(C(=O)[O-])c1)Nc1nccs1 c1csc(n1)[*:1] O=C(COc1csc(c1)C(=O)[O-])N[*:1]
O=C(COc1csc(C(=O)[O-])c1)Nc1nccs1 O=C([O-])[*:1] O=C(COc1csc(c1)[*:1])Nc1nccs1
COc1cccc(NC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1 COc1cccc(c1)[*:1] O=C(Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21)N[*:1]
COc1cccc(NC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)Cn1c2ccc(F)cc2c2ncn(C[*:1])c(=O)c21
COc1cccc(NC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)Cn1c2ccc(F)cc2c2ncn(c(=O)c21)[*:1]
COc1cccc(NC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1 COc1cccc(c1)NC(=O)[*:1] O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2C[*:1]
CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1ccc(=O)n(C)c1 c1ccc(cc1)[*:1] CNC(=O)c1cnc(nc1CCNC(=O)c1ccc(=O)n(C)c1)[*:1]
CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1ccc(=O)n(C)c1 CNC(=O)[*:1] Cn1cc(ccc1=O)C(=O)NCCc1nc(ncc1[*:1])-c1ccccc1
CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1ccc(=O)n(C)c1 Cn1cc(ccc1=O)[*:1] CNC(=O)c1cnc(nc1CCNC(=O)[*:1])-c1ccccc1
CC(C)CCNC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 CC(C)[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(F)cc1)NCC[*:1]
CC(C)CCNC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 CC(C)CCNC(=O)[*:1] Fc1ccc(cc1)-c1noc(n1)-c1cccn1C[*:1]
CC(C)CCNC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] CC(C)CCNC(=O)Cn1cccc1-c1nc(no1)[*:1]
CC(C)CCNC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 CC(C)CC[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(F)cc1)N[*:1]
CC(C)CCNC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 CC(C)C[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(F)cc1)NC[*:1]
O=C(COc1ccccc1F)NN1Cc2ccccc2C1 Fc1ccccc1[*:1] O=C(CO[*:1])NN1Cc2ccccc2C1
CCCN[C@H](C[NH+](C)C)c1cc(C)cc(F)c1 CCC[*:1] Cc1cc(F)cc(c1)[C@@H](C[NH+](C)C)N[*:1]
CCCN[C@H](C[NH+](C)C)c1cc(C)cc(F)c1 CCCN[*:1] Cc1cc(F)cc(c1)[C@@H](C[NH+](C)C)[*:1]
O=C(Nc1ccccc1C(F)(F)F)N1CC(c2nc(-c3ccccn3)no2)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])N1CC(C1)c1nc(no1)-c1ccccn1
O=C(Nc1ccccc1C(F)(F)F)N1CC(c2nc(-c3ccccn3)no2)C1 c1ccc(nc1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CC(C1)c1nc(no1)[*:1]
C=CCC[C@@H](C)[NH+]1CCN(c2ccccn2)CC1 C=CC[*:1] C[C@H](C[*:1])[NH+]1CCN(CC1)c1ccccn1
C=CCC[C@@H](C)[NH+]1CCN(c2ccccn2)CC1 c1ccc(nc1)[*:1] C=CCC[C@@H](C)[NH+]1CCN(CC1)[*:1]
C=CCC[C@@H](C)[NH+]1CCN(c2ccccn2)CC1 C=CCC[*:1] C[C@@H]([NH+]1CCN(CC1)c1ccccn1)[*:1]
CC[C@@H](NC(=O)CNc1c(C)cccc1C(N)=O)c1ccc(Cl)cc1 NC(=O)[*:1] CC[C@@H](NC(=O)CNc1c(C)cccc1[*:1])c1ccc(Cl)cc1
CC[C@@H](NC(=O)CNc1c(C)cccc1C(N)=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@@H](NC(=O)CNc1c(C)cccc1C(N)=O)[*:1]
Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)c2c(C)noc2C)c1 Cc1cccc(c1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N1CCC[C@@H]1[*:1]
Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)c2c(C)noc2C)c1 Cc1noc(C)c1[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)N[C@H](C)[*:1]
O=C(NCc1ccsc1)NCc1c(F)cccc1OC(F)F c1cc(cs1)C[*:1] O=C(NCc1c(F)cccc1OC(F)F)N[*:1]
O=C(NCc1ccsc1)NCc1c(F)cccc1OC(F)F FC(F)[*:1] O=C(NCc1ccsc1)NCc1c(F)cccc1O[*:1]
O=C(NCc1ccsc1)NCc1c(F)cccc1OC(F)F FC(F)O[*:1] O=C(NCc1ccsc1)NCc1c(F)cccc1[*:1]
O=C(NCc1ccsc1)NCc1c(F)cccc1OC(F)F c1cc(cs1)[*:1] O=C(NCc1c(F)cccc1OC(F)F)NC[*:1]
C[C@@H](C(=O)NCC(=O)N1CCc2ccccc2C1)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)NCC(=O)N1CCc2ccccc2C1)[*:1]
C[C@H]1c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)c2O[C@@H]1C Brc1ccc(s1)[*:1] C[C@H]1c2cccc(C(=O)N3CCN(CC3)S(=O)(=O)[*:1])c2O[C@@H]1C
CC(=O)Cn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)cn23)n(C)c1=O Cc1ccc(Cl)cc1[*:1] CC(=O)Cn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
CC(=O)Cn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)cn23)n(C)c1=O CC(=O)[*:1] Cc1ccc(Cl)cc1-n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CC(=O)Cn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)cn23)n(C)c1=O CC(=O)C[*:1] Cc1ccc(Cl)cc1-n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccccc4Cl)CC3)sc2n1 CCC[*:1] O=C(Nc1ccccc1Cl)C1CCN(CC1)c1nn2c(=O)cc(nc2s1)[*:1]
CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccccc4Cl)CC3)sc2n1 Clc1ccccc1[*:1] CCCc1cc(=O)n2nc(sc2n1)N1CCC(CC1)C(=O)N[*:1]
Cc1cccc(C2=N/C(=C/c3cnc(-c4ccccn4)s3)C(=O)O2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)C1=N/C(=C/c2cnc(s2)[*:1])C(=O)O1
Cc1cccc(C2=N/C(=C/c3cnc(-c4ccccn4)s3)C(=O)O2)c1 Cc1cccc(c1)[*:1] O=C1OC(=N/C1=C/c1cnc(s1)-c1ccccn1)[*:1]
Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]C(C)C)s1 CC(C)[*:1] Cc1ccc(s1)[C@@H]1OCCC[C@@H]1C[NH2+][*:1]
CC(C)Cn1c(SCC#N)nnc1-c1ccco1 N#CCS[*:1] CC(C)Cn1c(nnc1[*:1])-c1ccco1
CC(C)Cn1c(SCC#N)nnc1-c1ccco1 N#CC[*:1] CC(C)Cn1c(nnc1-c1ccco1)S[*:1]
CC(C)Cn1c(SCC#N)nnc1-c1ccco1 CC(C)C[*:1] N#CCSc1nnc(-c2ccco2)n1[*:1]
CC(C)Cn1c(SCC#N)nnc1-c1ccco1 CC(C)[*:1] N#CCSc1nnc(-c2ccco2)n1C[*:1]
CC(C)Cn1c(SCC#N)nnc1-c1ccco1 c1coc(c1)[*:1] CC(C)Cn1c(nnc1[*:1])SCC#N
CCc1ccc(NC(=O)C(=O)NCC(=O)N2CCc3ccccc3C2)cc1 CCc1ccc(cc1)[*:1] O=C(NCC(=O)N1CCc2ccccc2C1)C(=O)N[*:1]
CCOc1cc(C[NH2+]C(C)(C)CC)cc(Br)c1OC CCO[*:1] CCC(C)(C)[NH2+]Cc1cc(Br)c(OC)c(c1)[*:1]
CCOc1cc(C[NH2+]C(C)(C)CC)cc(Br)c1OC CCC(C)(C)[*:1] CCOc1cc(cc(Br)c1OC)C[NH2+][*:1]
COc1cc(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1F O=[N+]([O-])[*:1] COc1cc(ccc1F)CCNC(=O)Nc1cccc(c1)[*:1]
CC[NH2+][C@@H](C)c1cc(F)c(C)cc1N(CC)CCO CCN(CCO)[*:1] CC[NH2+][C@@H](C)c1cc(F)c(C)cc1[*:1]
CC[NH2+][C@@H](C)c1cc(F)c(C)cc1N(CC)CCO OCC[*:1] CC[NH2+][C@@H](C)c1cc(F)c(C)cc1N(CC)[*:1]
CCN(Cc1ccc(OC)cc1)C(=O)NC1CC1 C1CC1[*:1] CCN(Cc1ccc(cc1)OC)C(=O)N[*:1]
COc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)N(CC(=O)N(C)C)S(=O)(=O)[*:1]
COc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2)c(OC)c1 CN(C)C(=O)C[*:1] COc1ccc(c(c1)OC)N(S(=O)(=O)c1ccccc1)[*:1]
COc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2)c(OC)c1 CN(C)C(=O)[*:1] COc1ccc(c(c1)OC)N(C[*:1])S(=O)(=O)c1ccccc1
Cc1ccc(O[C@H](C)CNC(=O)N(C)Cc2nccs2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)N(C)Cc1nccs1)O[*:1]
Cc1ccc(O[C@H](C)CNC(=O)N(C)Cc2nccs2)cc1 c1csc(n1)[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)N(C)C[*:1]
Cc1ccc(O[C@H](C)CNC(=O)N(C)Cc2nccs2)cc1 c1csc(C[*:1])n1 Cc1ccc(cc1)O[C@H](C)CNC(=O)N(C)[*:1]
C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)c2C#N)C1 c1cc2OCOc2cc1[*:1] C[C@@H]1CCc2c(C1)sc(NC(=S)NC(=O)[*:1])c2C#N
CC(C)C1CCC([NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 CC(C)[*:1] NC(=O)C1CCN(CC1)C(=O)C1CC[NH+](CC1)C1CCC(CC1)[*:1]
CC(C)C1CCC([NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 NC(=O)[*:1] CC(C)C1CCC(CC1)[NH+]1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
C[C@H](OCCCC1CC[NH2+]CC1)c1nccs1 c1csc(n1)[*:1] C[C@H](OCCCC1CC[NH2+]CC1)[*:1]
O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 c1cncc(c1)C[*:1] O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1OCN(Cc12)[*:1]
O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 Fc1ccc(cc1)[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(Cc3cccnc3)Cc12
O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 c1cncc(c1)[*:1] O=C1/C(=C/c2ccc(F)cc2)Oc2c1ccc1OCN(Cc12)C[*:1]
O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N[*:1]
O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(I)cc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CN1C(=O)N[C@@H](C[*:1])C1=O)Nc1ccc(I)cc1
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NC[C@@H](C)[*:1]
O=C1C(/C=N/CCCn2ccnc2)=C([O-])c2ccccc21 c1cn(cn1)C[*:1] O=C1C(/C=N/CC[*:1])=C([O-])c2ccccc21
O=C1C(/C=N/CCCn2ccnc2)=C([O-])c2ccccc21 c1cn(cn1)[*:1] O=C1C(/C=N/CCC[*:1])=C([O-])c2ccccc21
O=C1C(/C=N/CCCn2ccnc2)=C([O-])c2ccccc21 c1cn(cn1)CC[*:1] O=C1C(/C=N/C[*:1])=C([O-])c2ccccc21
Cc1ccc([C@](C)([NH3+])C(C)C)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@](C)([NH3+])[*:1]
C[C@H](NC(=O)c1cccs1)c1ccc(S(N)(=O)=O)cc1 c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@H](NC(=O)c1cccs1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](NC(=O)c1cccs1)c1ccc(cc1)[*:1]
CNC(=O)c1ccc(OCC(=O)Nc2cc(C)on2)cc1 CNC(=O)[*:1] Cc1cc(no1)NC(=O)COc1ccc(cc1)[*:1]
CNC(=O)c1ccc(OCC(=O)Nc2cc(C)on2)cc1 Cc1cc(no1)[*:1] CNC(=O)c1ccc(cc1)OCC(=O)N[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccccn3)c12 C1CC1[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3cc(nn3-c3ccccn3)C(C)(C)C)c12)[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccccn3)c12 c1ccc(nc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3cc(nn3[*:1])C(C)(C)C)c12)C1CC1
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ccccn3)c12 CC(C)(C)[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3cc(nn3-c3ccccn3)[*:1])c12)C1CC1
O=C(Nc1ccc(F)c(F)c1F)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O Fc1ccc(c(F)c1F)[*:1] O=C(N[*:1])c1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1
CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2SC(F)F)c1 FC(F)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1S[*:1]
CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2SC(F)F)c1 FC(F)S[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1[*:1]
CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2SC(F)F)c1 CS(=O)(=O)[*:1] O=C(Nc1ccccc1SC(F)F)c1cc(ccc1Cl)[*:1]
CC(=O)Nc1ccc(C(=O)O[C@H](C)c2ccccc2N(C)C)cc1 CN(C)[*:1] CC(=O)Nc1ccc(cc1)C(=O)O[C@H](C)c1ccccc1[*:1]
CC(=O)Nc1ccc(C(=O)O[C@H](C)c2ccccc2N(C)C)cc1 CC(=O)N[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])c1ccccc1N(C)C
CCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O C1CC1[*:1] CCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(c2C)[*:1])C1=O
CCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O CCC[*:1] Cc1cc(C(=O)CN2C(=O)C(=O)N(C2=O)[*:1])c(C)n1C1CC1
Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 Cc1noc(C)c1[*:1] C[C@H](CNC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
Cc1ncccc1NC(=O)C1(/C(N)=N/O)CCCC1 N/C(=N\O)[*:1] Cc1ncccc1NC(=O)C1(CCCC1)[*:1]
CCOc1ccc(Nc2ncnc(N3CCCC[C@H]3C)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)Nc1ncnc(c1[*:1])N1CCCC[C@H]1C
CCOc1ccc(Nc2ncnc(N3CCCC[C@H]3C)c2[N+](=O)[O-])cc1 CCO[*:1] C[C@@H]1CCCCN1c1ncnc(Nc2ccc(cc2)[*:1])c1[N+](=O)[O-]
Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)o1 O=C([O-])[*:1] Cc1ccc(o1)C(=O)N1C[C@H](Oc2ccccc21)[*:1]
Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)o1 Cc1ccc(o1)[*:1] O=C([O-])[C@H]1CN(C(=O)[*:1])c2ccccc2O1
C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)CC2)S1 Fc1cccc(c1F)[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
Cc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc2oc3C(=O)N(CCN4CCOCC4)[C@H](c3c(=O)c2cc1Cl)[*:1]
Cc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)[C@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1[*:1]
Cc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)[C@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1C[*:1]
Cc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1CC[*:1]
COc1ccc(C[C@@H](C)CN(C)C(=O)N[C@H]2CCN(C(C)=O)C2)cc1 COc1ccc(cc1)[*:1] CC(=O)N1CC[C@@H](C1)NC(=O)N(C)C[C@H](C)C[*:1]
COc1ccc(C[C@@H](C)CN(C)C(=O)N[C@H]2CCN(C(C)=O)C2)cc1 CC(=O)N1CC[C@@H](C1)[*:1] COc1ccc(cc1)C[C@@H](C)CN(C)C(=O)N[*:1]
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCc1ccc(F)cc1F c1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])NCCc1ccc(F)cc1F
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCc1ccc(F)cc1F Fc1ccc(C[*:1])c(F)c1 O=C(CC[NH+]1CCN(CC1)c1ccccc1)NC[*:1]
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccc1)NCC[*:1]
Cc1nc2scc(C)n2c(=O)c1NC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc2scc(C)n2c(=O)c1NC(=O)C[*:1]
CCCC(=O)NCCNc1nc(C)cc(N2CCCCC2)n1 CCCC(=O)N[*:1] Cc1cc(nc(n1)NCC[*:1])N1CCCCC1
CCCC(=O)NCCNc1nc(C)cc(N2CCCCC2)n1 CCCC(=O)NC[*:1] Cc1cc(nc(n1)NC[*:1])N1CCCCC1
CCCC(=O)NCCNc1nc(C)cc(N2CCCCC2)n1 C1CCN(CC1)[*:1] CCCC(=O)NCCNc1nc(C)cc(n1)[*:1]
CCCC(=O)NCCNc1nc(C)cc(N2CCCCC2)n1 CCC[*:1] Cc1cc(nc(n1)NCCNC(=O)[*:1])N1CCCCC1
Cc1ccc(O[C@H](C)C(=O)N(C)CC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)N(C)C[*:1]
Cc1ccc(O[C@H](C)C(=O)N(C)CC(=O)N(C)C)cc1 CN(C)C(=O)C[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)N(C)[*:1]
COc1ccccc1-n1nc(C(=O)N2CCCC[C@H]2C)c2ccccc2c1=O COc1ccccc1[*:1] C[C@@H]1CCCCN1C(=O)c1nn(c(=O)c2ccccc12)[*:1]
COc1ccccc1CC(=O)N[C@H]1CC(C)(C)Cc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc21 COc1ccccc1[*:1] C[C@H]1CN(C[C@H](C)O1)c1ncc2c(CC(C)(C)C[C@@H]2NC(=O)C[*:1])n1
COc1ccccc1CC(=O)N[C@H]1CC(C)(C)Cc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc21 COc1ccccc1C[*:1] C[C@H]1CN(C[C@H](C)O1)c1ncc2c(CC(C)(C)C[C@@H]2NC(=O)[*:1])n1
O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCC2 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1sc2CCCc2c1C(=O)Nc1cccc(Cl)c1
O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCC2 Clc1cccc(c1)[*:1] O=C(Cc1ccccc1)Nc1sc2CCCc2c1C(=O)N[*:1]
O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCC2 c1ccc(cc1)C[*:1] O=C(Nc1cccc(Cl)c1)c1c(NC(=O)[*:1])sc2CCCc21
O=C(N1CCN(CCc2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 c1ccc(nc1)[*:1] O=C(N1CCN(CC1)CC[*:1])C12CC3CC(CC(C3)C1)C2
O=C(N1CCN(CCc2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 c1ccc(C[*:1])nc1 O=C(N1CCN(CC1)C[*:1])C12CC3CC(CC(C3)C1)C2
O=C(N1CCN(CCc2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 c1ccc(CC[*:1])nc1 O=C(N1CCN(CC1)[*:1])C12CC3CC(CC(C3)C1)C2
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3ccc(C)o3)C2)c1 Cc1cc(C)cc(c1)[*:1] Cc1ccc(CNC(=O)[C@H]2CCCN(C2)C(=O)[*:1])o1
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3ccc(C)o3)C2)c1 Cc1ccc(C[*:1])o1 Cc1cc(C)cc(c1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3ccc(C)o3)C2)c1 Cc1ccc(o1)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cc(C)ccc2C)c(=O)c2sccc21 Cc1ccc(C)c(c1)[*:1] CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)Cc1cccc(F)c1)[*:1]
CCN(Cc1cccc(C)n1)C(=O)[C@@H](C[NH3+])C(C)C CC(C)[*:1] CCN(Cc1cccc(C)n1)C(=O)[C@@H](C[NH3+])[*:1]
CC(C)Oc1ccc([C@@H](O)CNc2nccn(C)c2=O)cc1 CC(C)[*:1] Cn1ccnc(NC[C@H](O)c2ccc(cc2)O[*:1])c1=O
CC(C)Oc1ccc([C@@H](O)CNc2nccn(C)c2=O)cc1 CC(C)O[*:1] Cn1ccnc(NC[C@H](O)c2ccc(cc2)[*:1])c1=O
COCCN1C[C@]2(CCCN(C(=O)Nc3ccccc3F)C2)CCC1=O COC[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)Nc2ccccc2F)CN1C[*:1]
COCCN1C[C@]2(CCCN(C(=O)Nc3ccccc3F)C2)CCC1=O COCC[*:1] O=C(Nc1ccccc1F)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
COCCN1C[C@]2(CCCN(C(=O)Nc3ccccc3F)C2)CCC1=O Fc1ccccc1[*:1] COCCN1C[C@]2(CCCN(C2)C(=O)N[*:1])CCC1=O
N/C(=N/O)[C@@H]1CN(c2ccc3ccccc3[nH+]2)CCO1 N/C(=N/O)[*:1] c1ccc2[nH+]c(ccc2c1)N1CCO[C@@H](C1)[*:1]
COc1ccnc(NNC(=O)/C=C(/C)c2ccccc2Cl)n1 Clc1ccccc1[*:1] COc1ccnc(n1)NNC(=O)C=C(C)[*:1]
Cc1ccc(OCCNc2ccc(Cl)cc2C(=O)[O-])cc1C O=C([O-])[*:1] Cc1ccc(cc1C)OCCNc1ccc(Cl)cc1[*:1]
Cn1c(CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)nc2ccccc21 c1cc2OCOc2cc1[*:1] Cn1c(CC[NH2+]Cc2c[nH]nc2[*:1])nc2ccccc21
Cc1sc2nc(SCC(=O)N3CCc4ccccc4C3)n(-c3ccccc3)c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2nc(SCC(=O)N3CCc4ccccc4C3)n(c(=O)c2c1C)[*:1]
CC1CCN(S(=O)(=O)c2cc(C(=O)NCc3ccc(Br)cc3)n(C)c2)CC1 Brc1ccc(cc1)[*:1] CC1CCN(CC1)S(=O)(=O)c1cc(C(=O)NC[*:1])n(C)c1
CC1CCN(S(=O)(=O)c2cc(C(=O)NCc3ccc(Br)cc3)n(C)c2)CC1 Brc1ccc(cc1)C[*:1] CC1CCN(CC1)S(=O)(=O)c1cc(C(=O)N[*:1])n(C)c1
Cc1nn(C)cc1S(=O)(=O)Nc1nn(Cc2ccccc2F)cc1Cl Fc1ccccc1C[*:1] Cc1nn(C)cc1S(=O)(=O)Nc1nn(cc1Cl)[*:1]
Cc1nn(C)cc1S(=O)(=O)Nc1nn(Cc2ccccc2F)cc1Cl Cc1nn(C)cc1[*:1] O=S(=O)(Nc1nn(cc1Cl)Cc1ccccc1F)[*:1]
Cc1nn(C)cc1S(=O)(=O)Nc1nn(Cc2ccccc2F)cc1Cl Fc1ccccc1[*:1] Cc1nn(C)cc1S(=O)(=O)Nc1nn(cc1Cl)C[*:1]
CC(C)(O)CNC(=O)CN1CCC([NH3+])CC1 CC(C)(O)[*:1] [NH3+]C1CCN(CC1)CC(=O)NC[*:1]
CC(C)(O)CNC(=O)CN1CCC([NH3+])CC1 CC(C)(O)C[*:1] [NH3+]C1CCN(CC1)CC(=O)N[*:1]
COCCN1C(=O)NC(=N)[C@@]12CCCC[C@@H]2C COCC[*:1] C[C@H]1CCCC[C@@]12C(=N)NC(=O)N2[*:1]
COCCN1C(=O)NC(=N)[C@@]12CCCC[C@@H]2C COC[*:1] C[C@H]1CCCC[C@@]12C(=N)NC(=O)N2C[*:1]
CCc1nn(C)c(N2CCO[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(c1[*:1])N1CCO[C@@H](C1)c1ccc(Cl)cc1
CCc1nn(C)c(N2CCO[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] Clc1ccc(cc1)[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N1CCO[C@H](C1)[*:1]
CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 CC(C)[*:1] NC(=O)N[C@@H](C(=O)NCc1ccc(cc1)C[NH+]1CCCCC1)[*:1]
CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 NC(=O)N[*:1] CC(C)[C@@H](C(=O)NCc1ccc(cc1)C[NH+]1CCCCC1)[*:1]
CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 CC(C)[C@@H](NC(N)=O)[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCC1)[*:1]
O=C(c1ccc(-n2cncn2)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)-n1cncn1)N1CCCN(CC1)c1ccc(cn1)[*:1]
O=C(c1ccc(-n2cncn2)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)c1ccc(nc1)[*:1] O=C(c1ccc(cc1)-n1cncn1)N1CCCN(CC1)[*:1]
O=C(c1ccc(-n2cncn2)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 c1ncn(n1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCCN(CC1)c1ccc(cn1)C(F)(F)F
C[C@@H](C(=O)NC1CC1)S(=O)(=O)c1ccc2ccccc2c1 O=C(NC1CC1)[*:1] C[C@@H](S(=O)(=O)c1ccc2ccccc2c1)[*:1]
C[C@@H](C(=O)NC1CC1)S(=O)(=O)c1ccc2ccccc2c1 C1CC1[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)c1ccc2ccccc2c1
CC(C)NC(=O)NNC(=O)c1ccc(F)cc1Cl CC(C)[*:1] O=C(NNC(=O)c1ccc(F)cc1Cl)N[*:1]
COc1cc(OC)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cc(cc(c1)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F)OC
COc1cc(OC)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 FC(F)(F)[*:1] COc1cc(cc(c1)C(=O)Nc1cc(ccc1N1CCOCC1)[*:1])OC
CCN1CCO[C@H](C(=O)N[C@@](C)(CC)c2nc(C)cs2)C1 Cc1csc(n1)[*:1] CCN1CCO[C@@H](C1)C(=O)N[C@@](C)(CC)[*:1]
CCO[C@H](C[NH2+]C)c1cccc2ccccc12 CCO[*:1] C[NH2+]C[C@H](c1cccc2ccccc12)[*:1]
CCNc1cccc(CN2CC[C@@H](c3ccccc3)C2)[nH+]1 c1ccc(cc1)[*:1] CCNc1cccc(CN2CC[C@@H](C2)[*:1])[nH+]1
CCNc1cccc(CN2CC[C@@H](c3ccccc3)C2)[nH+]1 CCN[*:1] c1ccc(cc1)[C@@H]1CCN(Cc2cccc([nH+]2)[*:1])C1
COc1ccc(C)cc1[C@@H](C)NC(=O)CCCn1c(C)csc1=O Cc1csc(=O)n1[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)CCC[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)CCCn1c(C)csc1=O Cc1csc(=O)n1C[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)CC[*:1]
COC(=O)c1ccc([N+](=O)[O-])c(OCc2cccc(Br)c2)c1 O=[N+]([O-])[*:1] COC(=O)c1ccc(c(c1)OCc1cccc(Br)c1)[*:1]
COC(=O)c1ccc([N+](=O)[O-])c(OCc2cccc(Br)c2)c1 COC(=O)[*:1] O=[N+]([O-])c1ccc(cc1OCc1cccc(Br)c1)[*:1]
COC(=O)c1ccc([N+](=O)[O-])c(OCc2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] COC(=O)c1ccc(c(c1)OC[*:1])[N+](=O)[O-]
Cc1ccc(C)c(NC(=S)NC[C@@H](c2cccnc2)N2CCOCC2)c1 Cc1ccc(C)c(c1)[*:1] S=C(NC[C@@H](c1cccnc1)N1CCOCC1)N[*:1]
Cc1ccc(C)c(NC(=S)NC[C@@H](c2cccnc2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1ccc(C)c(c1)NC(=S)NC[C@@H](c1cccnc1)[*:1]
Cc1ccc(C)c(NC(=S)NC[C@@H](c2cccnc2)N2CCOCC2)c1 c1cncc(c1)[*:1] Cc1ccc(C)c(c1)NC(=S)NC[C@@H](N1CCOCC1)[*:1]
CC(C)=CC(=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] CC(C)=CC(=O)N1CCC(CC1)n1nccc1NC(=O)[*:1]
CC(C)=CC(=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 CC(C)=C[*:1] O=C(Nc1ccnn1C1CCN(CC1)C(=O)[*:1])c1ccc2OCOc2c1
C/C(=C/C(=O)N[C@H](C)C(=O)N1CCOCC1)c1ccccc1Cl Clc1ccccc1[*:1] CC(=CC(=O)N[C@H](C)C(=O)N1CCOCC1)[*:1]
CCO/C=N/C1=C(C#N)[C@@H](c2ccccc2)c2c(C)nn(-c3ccccc3)c2O1 c1ccc(cc1)[*:1] CCO/C=N/C1Oc2c(c(C)nn2[*:1])[C@@H](C=1C#N)c1ccccc1
CCO/C=N/C1=C(C#N)[C@@H](c2ccccc2)c2c(C)nn(-c3ccccc3)c2O1 c1ccc(cc1)[*:1] CCO/C=N/C1Oc2c(c(C)nn2-c2ccccc2)[C@H](C=1C#N)[*:1]
CC[C@@H]([NH2+]CC1CCCCC1)c1ccc(OC)c(OC)c1 C1CCC(CC1)[*:1] CC[C@@H]([NH2+]C[*:1])c1ccc(OC)c(c1)OC
CC[C@@H]([NH2+]CC1CCCCC1)c1ccc(OC)c(OC)c1 C1CCC(CC1)C[*:1] CC[C@@H]([NH2+][*:1])c1ccc(OC)c(c1)OC
CCOC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccn(Cc2ccc(Cl)cc2)c1=O
CCOC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1cccn(C[*:1])c1=O
CCOC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1 Clc1ccc(cc1)C[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1cccn(c1=O)[*:1]
COc1ccc(N2C[C@@H](CNC(=O)c3ccc(C)c(C)c3)CC2=O)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)N1C[C@@H](CNC(=O)[*:1])CC1=O
COc1ccc(N2C[C@@H](CNC(=O)c3ccc(C)c(C)c3)CC2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)NC[C@H]1CC(=O)N(C1)[*:1]
CCCC(=CC(=O)Nc1nccs1)CCC CCC[*:1] CCCC(=CC(=O)Nc1nccs1)[*:1]
CCCC(=CC(=O)Nc1nccs1)CCC c1csc(n1)[*:1] CCCC(=CC(=O)N[*:1])CCC
CSc1ccc(OCC(=O)c2cccn2C)cc1 Cn1cccc1[*:1] CSc1ccc(cc1)OCC(=O)[*:1]
O=c1[nH]c2ccccc2c(=O)n1Cc1nc(C2CC2)no1 C1CC1[*:1] O=c1[nH]c2ccccc2c(=O)n1Cc1nc(no1)[*:1]
CC(C)[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)N1CCCC1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCCC1)[*:1])c1cc(no1)-c1cccc(Cl)c1
CC(C)[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)N1CCCC1 Clc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)c1cc(no1)[*:1])C(=O)N1CCCC1
CC(C)[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](NC(=O)c1cc(no1)-c1cccc(Cl)c1)[*:1]
CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc4c(c3)OCO4)S2)cc1 CCCO[*:1] CCN1C(=O)C[C@H](S/C1=N\c1ccc2OCOc2c1)C(=O)Nc1ccc(cc1)[*:1]
CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc4c(c3)OCO4)S2)cc1 CCC[*:1] CCN1C(=O)C[C@H](S/C1=N\c1ccc2OCOc2c1)C(=O)Nc1ccc(cc1)O[*:1]
CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc4c(c3)OCO4)S2)cc1 c1cc2OCOc2cc1[*:1] CCCOc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(CC)C(=N[*:1])S1
CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc4c(c3)OCO4)S2)cc1 CCCOc1ccc(cc1)[*:1] CCN1C(=O)C[C@H](S/C1=N\c1ccc2OCOc2c1)C(=O)N[*:1]
C[C@@H]1CCCN(C(=O)C(=O)NCC[NH3+])C1 [NH3+]CC[*:1] C[C@@H]1CCCN(C1)C(=O)C(=O)N[*:1]
Cc1nn(C)c(C)c1CC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 Cc1nn(C)c(C)c1[*:1] O=C(C[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
CCOC(=O)c1c[nH+]c2c(OC)ccc(OC)c2c1NC CCOC(=O)[*:1] CNc1c(c[nH+]c2c(ccc(OC)c12)OC)[*:1]
COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4cc(Cl)ccc4OC)CC3)[nH]n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC1)C(=O)c1cc(n[nH]1)[*:1]
COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4cc(Cl)ccc4OC)CC3)[nH]n2)cc1 COc1ccc(Cl)cc1[*:1] COc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1nn(C)c(C)c1CCCNC(=O)N[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] Cc1nn(C)c(C)c1CCCNC(=O)N[C@H](C)[*:1]
Cc1nn(C)c(C)c1CCCNC(=O)N[C@H](C)Cc1cccs1 c1csc(c1)[*:1] Cc1nn(C)c(C)c1CCCNC(=O)N[C@H](C)C[*:1]
CC(C)OCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 CC(C)[*:1] N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(CCO[*:1])CC1
CC(C)OCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 CC(C)OCC[*:1] N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)OCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 CC(C)O[*:1] N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(CC1)CC[*:1]
CC(C)OCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 CC(C)OC[*:1] N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(CC1)C[*:1]
N#CCOc1ccc([N+](=O)[O-])cc1C=O N#CCO[*:1] O=Cc1cc(ccc1[*:1])[N+](=O)[O-]
N#CCOc1ccc([N+](=O)[O-])cc1C=O O=[N+]([O-])[*:1] N#CCOc1ccc(cc1C=O)[*:1]
N#CCOc1ccc([N+](=O)[O-])cc1C=O N#CC[*:1] O=Cc1cc(ccc1O[*:1])[N+](=O)[O-]
CCC[NH2+][C@@H](CN1C(=O)CC(C)CC1=O)C(C)(C)C CCC[*:1] CC1CC(=O)N(C[C@H]([NH2+][*:1])C(C)(C)C)C(=O)C1
CCC[NH2+][C@@H](CN1C(=O)CC(C)CC1=O)C(C)(C)C CC(C)(C)[*:1] CCC[NH2+][C@@H](CN1C(=O)CC(C)CC1=O)[*:1]
Cc1noc(N)c1C(=O)O[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 CC(C)[*:1] Cc1noc(N)c1C(=O)O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1noc(N)c1C(=O)O[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 Cc1noc(N)c1[*:1] CC(C)c1ccc(cc1)NC(=O)[C@@H](C)OC(=O)[*:1]
CCCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br CCCC[*:1] C[C@@H](Nc1ncc(cc1Br)[N+](=O)[O-])[*:1]
CCCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] CCCC[C@@H](C)Nc1ncc(cc1Br)[*:1]
CCCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br CCC[*:1] C[C@H](C[*:1])Nc1ncc(cc1Br)[N+](=O)[O-]
O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1)c1cc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[C@H]1CC(=O)N(C1)c1ccccc1)c1cc(nc2ccccc12)[*:1]
O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1)c1cc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1])c1cc(nc2ccccc12)-c1ccccc1
CSCCCNc1ccc(C#N)c(N)c1 CSCCC[*:1] N#Cc1ccc(cc1N)N[*:1]
CSCCCNc1ccc(C#N)c(N)c1 CSCC[*:1] N#Cc1ccc(cc1N)NC[*:1]
CSCCCNc1ccc(C#N)c(N)c1 CSC[*:1] N#Cc1ccc(cc1N)NCC[*:1]
CC(C)(C)CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])cc1 CC(C)(C)C[*:1] CC(C)(c1ccc(cc1)Oc1ccc(cc1S(=O)(=O)[O-])[N+](=O)[O-])[*:1]
CC(C)(C)CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])cc1 CC(C)(C)CC(C)(C)[*:1] O=[N+]([O-])c1ccc(Oc2ccc(cc2)[*:1])c(c1)S(=O)(=O)[O-]
CC(C)(C)CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])cc1 O=S(=O)([O-])[*:1] CC(C)(C)CC(C)(C)c1ccc(cc1)Oc1ccc(cc1[*:1])[N+](=O)[O-]
CC(C)(C)CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])cc1 CC(C)(C)[*:1] CC(C)(C[*:1])c1ccc(cc1)Oc1ccc(cc1S(=O)(=O)[O-])[N+](=O)[O-]
CC(C)(C)CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(C)CC(C)(C)c1ccc(cc1)Oc1ccc(cc1S(=O)(=O)[O-])[*:1]
O=C([O-])c1cc(Br)ccc1OCc1ccccc1F O=C([O-])[*:1] Fc1ccccc1COc1ccc(Br)cc1[*:1]
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CCCc1c[nH]c2ccccc12 c1ccc(cc1)C[*:1] C[C@@H]1CN(CCN1C(=O)CCCc1c[nH]c2ccccc12)[*:1]
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H]1CN(CCN1C(=O)CCC[*:1])Cc1ccccc1
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CCCc1c[nH]c2ccccc12 c1ccc(cc1)[*:1] C[C@@H]1CN(CCN1C(=O)CCCc1c[nH]c2ccccc12)C[*:1]
Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)c1Cl Cc1cccc(c1Cl)[*:1] C[NH+](C)Cc1ccc(cc1)CNC(=O)C(=O)N[*:1]
C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 CN(C)C(=O)C[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)Nc1cccc(c1)O[*:1]
C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 CN(C)C(=O)CO[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)Nc1cccc(c1)[*:1]
C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 CN(C)C(=O)[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)Nc1cccc(c1)OC[*:1]
C[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc2c(c1)CCC(=O)N2 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)S[*:1])c1ccc2NC(=O)CCc2c1
C[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc2c(c1)CCC(=O)N2 c1ccc(cc1)S[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])c1ccc2NC(=O)CCc2c1
CCC[NH2+]C/C(C)=C/c1ccccc1C1CC1 CCC[*:1] C/C(=C\c1ccccc1C1CC1)C[NH2+][*:1]
CCC[NH2+]C/C(C)=C/c1ccccc1C1CC1 C1CC1[*:1] CCC[NH2+]C/C(C)=C/c1ccccc1[*:1]
COCc1ccccc1NC(=O)c1ccc2ccc(Cl)cc2n1 COC[*:1] O=C(Nc1ccccc1[*:1])c1ccc2ccc(Cl)cc2n1
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CC2)n1 Fc1ccc(cc1)[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)N[C@@H](C1CC1)[*:1]
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CC2)n1 C1CC1[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CC2)n1 CC(C)[*:1] N#Cc1cn(nc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1)[*:1]
O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cc2[nH]c(=O)[nH]c2cc1Br c1csc(c1)[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])Nc1cc2[nH]c(=O)[nH]c2cc1Br
O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cc2[nH]c(=O)[nH]c2cc1Br C1CC1[*:1] O=C(CSc1nnc(-c2cccs2)n1[*:1])Nc1cc2[nH]c(=O)[nH]c2cc1Br
COc1ccc(Cl)c2sc(N(C[C@@H]3CCCO3)C(=O)CN3C(=O)c4ccccc4C3=O)nc12 O=C1c2ccccc2C(=O)N1[*:1] COc1ccc(Cl)c2sc(nc12)N(C[C@@H]1CCCO1)C(=O)C[*:1]
Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1CC(C)C CC(C)C[*:1] Cc1nc([nH]c(=O)c1[*:1])N1CC[NH+](CC1)Cc1ccccc1
Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1CC(C)C CC(C)[*:1] Cc1nc([nH]c(=O)c1C[*:1])N1CC[NH+](CC1)Cc1ccccc1
Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1CC(C)C c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CC(C)C)N1CC[NH+](CC1)C[*:1]
Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1CC(C)C c1ccc(cc1)C[*:1] Cc1nc([nH]c(=O)c1CC(C)C)N1CC[NH+](CC1)[*:1]
C[C@@H]1COc2ccccc2N1C(=O)CCn1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] C[C@@H]1COc2ccccc2N1C(=O)CCn1cc(cn1)[*:1]
O=C(NC1CC1)c1ccc(CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C2CC2)cc1 C1CCC(C1)[*:1] O=C(NC1CC1)c1ccc(cc1)CN(C(=O)[C@H]1CC(=O)N(C1)[*:1])C1CC1
O=C(NC1CC1)c1ccc(CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C2CC2)cc1 C1CC1[*:1] O=C(NC1CC1)c1ccc(cc1)CN(C(=O)[C@H]1CC(=O)N(C1)C1CCCC1)[*:1]
O=C(NC1CC1)c1ccc(CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C2CC2)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(cc1)CN(C(=O)[C@H]1CC(=O)N(C1)C1CCCC1)C1CC1
O=C(NC1CC1)c1ccc(CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C2CC2)cc1 O=C(NC1CC1)[*:1] O=C1C[C@@H](CN1C1CCCC1)C(=O)N(Cc1ccc(cc1)[*:1])C1CC1
O=C(/C=C/c1nc2ccccc2o1)NNC(=S)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(/C=C/c1nc2ccccc2o1)NNC(=S)N[*:1]
C[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@@H]2C(=O)[O-])C[C@@H]1C O=C([O-])[*:1] C[C@@H]1CN(C[C@@H]1C)C(=O)NC[C@@H]1CCC[C@H]1[*:1]
COC[C@H](C)[NH2+][C@H]1CCN(C(=O)OC)C1 COC[C@H](C)[*:1] COC(=O)N1CC[C@@H](C1)[NH2+][*:1]
COC[C@H](C)[NH2+][C@H]1CCN(C(=O)OC)C1 COC[*:1] COC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)[*:1]
CN(CCOc1ccc(Cl)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] CN(CCOc1ccc(Cl)cc1)Cn1ncc2ccc(cc21)[*:1]
CN(CCOc1ccc(Cl)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 Clc1ccc(cc1)[*:1] CN(CCO[*:1])Cn1ncc2ccc(cc21)[N+](=O)[O-]
CN(CCOc1ccc(Cl)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 Clc1ccc(cc1)O[*:1] CN(CC[*:1])Cn1ncc2ccc(cc21)[N+](=O)[O-]
N#C[C@H]1CNCCN1C(=O)c1ccsc1 c1cc(cs1)[*:1] N#C[C@H]1CNCCN1C(=O)[*:1]
Cc1nnc(N(C)Cc2nccs2)c(C#N)c1C c1csc(n1)[*:1] Cc1nnc(c(C#N)c1C)N(C)C[*:1]
Cc1nnc(N(C)Cc2nccs2)c(C#N)c1C c1csc(C[*:1])n1 Cc1nnc(c(C#N)c1C)N(C)[*:1]
Cc1csc(CCNS(=O)(=O)C[C@H](C)CCl)n1 C[C@H](CCl)[*:1] Cc1csc(CCNS(=O)(=O)C[*:1])n1
O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Cn1c2ccccc2c2nc3SCCn3c(=O)c21)N[*:1]
CC1=NN(C(=O)[C@H](C)n2nc(C)c(Cl)c2C)[C@](O)(C(F)F)C1 FC(F)[*:1] CC1C[C@@](O)(N(N=1)C(=O)[C@H](C)n1nc(C)c(Cl)c1C)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc3c(=O)[nH]cnc3cc2F)cc1 CCN(CC)S(=O)(=O)[*:1] O=C(Nc1cc2c(=O)[nH]cnc2cc1F)c1ccc(cc1)[*:1]
CC(=O)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)o2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CO[*:1])o1
CC(=O)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)o2)cc1 CC(=O)[*:1] O=C(N[C@@H]1CCCc2ccccc21)c1ccc(COc2ccc(cc2)[*:1])o1
O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(Br)ccc2F)cc1 O=[N+]([O-])[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1cc(Br)ccc1F
CC(C)c1cccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] CC(C)c1cccc(c1)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)c1cccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 CC(C)[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)[N-]c1cccc(c1)[*:1]
O=S1(=O)CC[C@@H](Cc2nnc(SCc3nc(-c4cccs4)no3)o2)C1 c1csc(c1)[*:1] O=S1(=O)CC[C@@H](Cc2nnc(o2)SCc2nc(no2)[*:1])C1
Cc1nc(NC(=O)C[NH+](C)Cc2ccc3c(c2)OCO3)sc1C Cc1nc(sc1C)[*:1] C[NH+](CC(=O)N[*:1])Cc1ccc2OCOc2c1
C[NH+](C)CCCN(C(=O)c1ccccc1Cl)c1nc2ccccc2s1 Clc1ccccc1[*:1] C[NH+](C)CCCN(C(=O)[*:1])c1nc2ccccc2s1
COC[C@H](C)Oc1cncc(C(=O)OC)n1 COC[C@H](C)[*:1] COC(=O)c1cncc(n1)O[*:1]
COC[C@H](C)Oc1cncc(C(=O)OC)n1 COC[*:1] COC(=O)c1cncc(n1)O[C@@H](C)[*:1]
COC[C@H](C)Oc1cncc(C(=O)OC)n1 COC(=O)[*:1] COC[C@H](C)Oc1cncc(n1)[*:1]
O=C(NCCCCOc1ccccc1)c1ccc2c(c1)OCCCO2 c1ccc(cc1)OC[*:1] O=C(NCCC[*:1])c1ccc2OCCCOc2c1
O=C(NCCCCOc1ccccc1)c1ccc2c(c1)OCCCO2 c1ccc(cc1)[*:1] O=C(NCCCCO[*:1])c1ccc2OCCCOc2c1
O=C(NCCCCOc1ccccc1)c1ccc2c(c1)OCCCO2 c1ccc(cc1)O[*:1] O=C(NCCCC[*:1])c1ccc2OCCCOc2c1
O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1n[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)[*:1])c1n[nH]c2ccccc12
O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1n[nH]c2ccccc12 c1ccc2c(n[nH]c2c1)[*:1] O=C(Nc1ccc(F)cc1)[C@H](OC(=O)[*:1])c1ccccc1
O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1n[nH]c2ccccc12 Fc1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)N[*:1])c1ccccc1)c1n[nH]c2ccccc12
c1cnc(-c2noc(CCc3nc(-c4ccsc4)no3)n2)cn1 c1cnc(cn1)[*:1] c1cc(cs1)-c1noc(CCc2nc(no2)[*:1])n1
c1cnc(-c2noc(CCc3nc(-c4ccsc4)no3)n2)cn1 c1cc(cs1)[*:1] c1cnc(cn1)-c1noc(CCc2nc(no2)[*:1])n1
FC(F)(F)c1ccccc1C1=CCN(Cc2cnc3cnccn23)CC1 FC(F)(F)[*:1] C1CN(CCC=1c1ccccc1[*:1])Cc1cnc2cnccn12
Cc1cc(NC(=O)CSc2ccc(Cl)cc2)n(-c2nc3ccccc3s2)n1 Clc1ccc(cc1)S[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1nc2ccccc2s1
Cc1cc(NC(=O)CSc2ccc(Cl)cc2)n(-c2nc3ccccc3s2)n1 Clc1ccc(cc1)SC[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc2ccccc2s1
Cc1cc(NC(=O)CSc2ccc(Cl)cc2)n(-c2nc3ccccc3s2)n1 c1ccc2sc(nc2c1)[*:1] Cc1cc(NC(=O)CSc2ccc(Cl)cc2)n(n1)[*:1]
Cc1cc(NC(=O)CSc2ccc(Cl)cc2)n(-c2nc3ccccc3s2)n1 Clc1ccc(cc1)[*:1] Cc1cc(NC(=O)CS[*:1])n(n1)-c1nc2ccccc2s1
OC1CCC([NH2+]C(C2CC2)C2CC2)CC1 C1CC1[*:1] OC1CCC(CC1)[NH2+]C(C1CC1)[*:1]
CCc1ncc(CN(C)C(=O)C2(O)Cc3ccccc3C2)s1 CCc1ncc(s1)[*:1] CN(C[*:1])C(=O)C1(O)Cc2ccccc2C1
COCc1cccc(NC(=O)NC(C)(C)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COCc1cccc(c1)NC(=O)NC(C)(C)[*:1]
COCc1cccc(NC(=O)NC(C)(C)c2cccc(F)c2)c1 COC[*:1] CC(C)(NC(=O)Nc1cccc(c1)[*:1])c1cccc(F)c1
CC(C)(C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O)[*:1]
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)C(C)(C)C)C2=O CC(C)(C)[*:1] C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)[*:1])C2=O
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)C(C)(C)C)C2=O CC(C)(C)C(=O)[*:1] C[C@@H]1CCCC[C@@]12NC(=O)N(C[*:1])C2=O
Cc1onc(-c2ccncn2)c1C(=O)NCCNC(=O)CC(C)(C)C c1cc(ncn1)[*:1] Cc1onc(c1C(=O)NCCNC(=O)CC(C)(C)C)[*:1]
Cc1onc(-c2ccncn2)c1C(=O)NCCNC(=O)CC(C)(C)C CC(C)(C)C[*:1] Cc1onc(-c2ccncn2)c1C(=O)NCCNC(=O)[*:1]
Cc1onc(-c2ccncn2)c1C(=O)NCCNC(=O)CC(C)(C)C CC(C)(C)CC(=O)N[*:1] Cc1onc(-c2ccncn2)c1C(=O)NCC[*:1]
Cc1onc(-c2ccncn2)c1C(=O)NCCNC(=O)CC(C)(C)C CC(C)(C)[*:1] Cc1onc(-c2ccncn2)c1C(=O)NCCNC(=O)C[*:1]
CCN(Cc1ccccc1)C(=O)Cn1nc2c(SC3CCCCC3)nccn2c1=O C1CCC(CC1)S[*:1] CCN(Cc1ccccc1)C(=O)Cn1nc2c(nccn2c1=O)[*:1]
CCN(Cc1ccccc1)C(=O)Cn1nc2c(SC3CCCCC3)nccn2c1=O C1CCC(CC1)[*:1] CCN(Cc1ccccc1)C(=O)Cn1nc2c(nccn2c1=O)S[*:1]
CCN(Cc1ccccc1)C(=O)Cn1nc2c(SC3CCCCC3)nccn2c1=O c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)Cn1nc2c(nccn2c1=O)SC1CCCCC1
CCN(Cc1ccccc1)C(=O)Cn1nc2c(SC3CCCCC3)nccn2c1=O c1ccc(cc1)C[*:1] CCN(C(=O)Cn1nc2c(nccn2c1=O)SC1CCCCC1)[*:1]
Cc1cc(C[C@@H](C(=O)[O-])c2cccc(Cl)c2)n(C)n1 O=C([O-])[*:1] Cc1cc(C[C@@H](c2cccc(Cl)c2)[*:1])n(C)n1
COc1ccc(C(=O)Nc2nccs2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(C(=O)Nc2nccs2)c(c1)[*:1]
COc1ccc(C(=O)Nc2nccs2)c([N+](=O)[O-])c1 c1csc(n1)[*:1] COc1ccc(C(=O)N[*:1])c(c1)[N+](=O)[O-]
C#CCn1/c(=N\C(=O)c2ccc(Br)o2)sc2cc(OC)c(OC)cc21 C#CC[*:1] COc1cc2s/c(=N/C(=O)c3ccc(Br)o3)n(c2cc1OC)[*:1]
C#CCn1/c(=N\C(=O)c2ccc(Br)o2)sc2cc(OC)c(OC)cc21 Brc1ccc(o1)[*:1] C#CCn1/c(=N\C(=O)[*:1])sc2cc(OC)c(cc21)OC
C[C@H](CO)[C@H](C)NC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] C[C@H](CO)[C@H](C)NC(=O)c1ccnc(c1)[*:1]
C[C@H](CO)[C@H](C)NC(=O)c1ccnc(OC2CCCCC2)c1 C[C@H](CO)[*:1] C[C@H](NC(=O)c1ccnc(c1)OC1CCCCC1)[*:1]
C[C@H](CO)[C@H](C)NC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] C[C@H](CO)[C@H](C)NC(=O)c1ccnc(c1)O[*:1]
Cc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(C)c4)c3N)n2)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)-c1csc(n1)-c1nnn(c1N)[*:1]
Cc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(C)c4)c3N)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1nnc(-c2nc(cs2)[*:1])c1N
C[C@H](CC(N)=O)[NH2+][C@H](C)[C@@H]1CN(C)CCO1 NC(=O)C[*:1] C[C@@H]([NH2+][C@@H](C)[*:1])[C@@H]1CN(C)CCO1
C[C@H](CC(N)=O)[NH2+][C@H](C)[C@@H]1CN(C)CCO1 NC(=O)[*:1] C[C@H](C[*:1])[NH2+][C@H](C)[C@@H]1CN(C)CCO1
CCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nc2ccccc21 CC(C)[*:1] CCn1c(nc2ccccc21)S[C@@H](C)C(=O)Nc1ccnn1[*:1]
CCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nc2ccccc21 CC(C)n1nccc1[*:1] CCn1c(nc2ccccc21)S[C@@H](C)C(=O)N[*:1]
O[C@@H](c1ccncc1)[C@@H]1CCCc2cccnc21 c1cc(ccn1)[*:1] O[C@@H]([C@@H]1CCCc2cccnc21)[*:1]
O=C(C[C@H](O)c1cccc(F)c1)Nc1cc(F)ccc1Cl Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])Nc1cc(F)ccc1Cl
CCOc1ccc(NC(=O)CC2=C(C)N=N[C@H]2C)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] CCOc1ccc(cc1[*:1])NC(=O)CC1=C(C)N=N[C@H]1C
CCOc1ccc(NC(=O)CC2=C(C)N=N[C@H]2C)cc1S(=O)(=O)N1CCCC1 CCO[*:1] CC1N=N[C@@H](C)C=1CC(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCCC1)[*:1]
CC(=O)Nc1ccc(C(=O)/N=C(/NCc2c(C)nn(C)c2C)Nc2ccccc2C)cc1 Cc1nn(C)c(C)c1[*:1] CC(=O)Nc1ccc(cc1)C(=O)/N=C(/NC[*:1])Nc1ccccc1C
CC(=O)Nc1ccc(C(=O)/N=C(/NCc2c(C)nn(C)c2C)Nc2ccccc2C)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1ccccc1N/C(=N\C(=O)[*:1])NCc1c(C)nn(C)c1C
CC(=O)Nc1ccc(C(=O)/N=C(/NCc2c(C)nn(C)c2C)Nc2ccccc2C)cc1 Cc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)C(=O)/N=C(/NCc1c(C)nn(C)c1C)N[*:1]
CC(=O)Nc1ccc(C(=O)/N=C(/NCc2c(C)nn(C)c2C)Nc2ccccc2C)cc1 Cc1nn(C)c(C)c1C[*:1] CC(=O)Nc1ccc(cc1)C(=O)/N=C(\Nc1ccccc1C)N[*:1]
CC(=O)Nc1ccc(C(=O)/N=C(/NCc2c(C)nn(C)c2C)Nc2ccccc2C)cc1 CC(=O)N[*:1] Cc1ccccc1N/C(=N\C(=O)c1ccc(cc1)[*:1])NCc1c(C)nn(C)c1C
Cc1cc2c3c(c1)[C@@]1(N=C(N)NC(Nc4ccccc4)=N1)C(=O)N3C(C)(C)C[C@H]2C c1ccc(cc1)[*:1] Cc1cc2c3c(c1)[C@@]1(N=C(N)NC(=N1)N[*:1])C(=O)N3C(C)(C)C[C@H]2C
CN1CCN(C(=O)[C@H]2CCCN2C(=O)CC2CCC2)CC1 C1CC(C1)[*:1] CN1CCN(CC1)C(=O)[C@H]1CCCN1C(=O)C[*:1]
CN1CCN(C(=O)[C@H]2CCCN2C(=O)CC2CCC2)CC1 C1CC(C1)C[*:1] CN1CCN(CC1)C(=O)[C@H]1CCCN1C(=O)[*:1]
COc1c(C)cccc1C(=O)N[C@@H](C)c1cc(=O)n2nc(C3CCOCC3)cc2[nH]1 COc1c(C)cccc1[*:1] C[C@H](NC(=O)[*:1])c1cc(=O)n2nc(cc2[nH]1)C1CCOCC1
COc1c(C)cccc1C(=O)N[C@@H](C)c1cc(=O)n2nc(C3CCOCC3)cc2[nH]1 C1CC(CCO1)[*:1] COc1c(C)cccc1C(=O)N[C@@H](C)c1cc(=O)n2nc(cc2[nH]1)[*:1]
CC[C@](C)(CO)NC(=O)Nc1cccc(C(=O)N2CCCC2)c1C O=C(N1CCCC1)[*:1] CC[C@](C)(CO)NC(=O)Nc1cccc(c1C)[*:1]
Cc1oc(-c2cc(F)ccc2F)nc1C[NH+](C)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1oc(nc1C[NH+](C)[*:1])-c1cc(F)ccc1F
Cc1oc(-c2cc(F)ccc2F)nc1C[NH+](C)Cc1ccccc1 Fc1ccc(F)c(c1)[*:1] Cc1oc(nc1C[NH+](C)Cc1ccccc1)[*:1]
Cc1oc(-c2cc(F)ccc2F)nc1C[NH+](C)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1oc(nc1C[NH+](C)C[*:1])-c1cc(F)ccc1F
O=C(NCc1ccc(F)cc1F)c1ccc2nc3ccccc3c(=O)n2c1 Fc1ccc(C[*:1])c(F)c1 O=C(N[*:1])c1ccc2nc3ccccc3c(=O)n2c1
O=C(NCc1ccc(F)cc1F)c1ccc2nc3ccccc3c(=O)n2c1 Fc1ccc(c(F)c1)[*:1] O=C(NC[*:1])c1ccc2nc3ccccc3c(=O)n2c1
CC(C)(C)C[C@H](C[NH3+])c1ccncc1 CC(C)(C)[*:1] [NH3+]C[C@@H](C[*:1])c1ccncc1
Cc1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 Cc1ccccc1[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)CCC(=O)N[*:1]
CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)N1CC(N)=O)c1ccccc1-c1oc(N)nc12 CC(C)OC(=O)[*:1] CC1=C([C@@]2(C(=O)N1CC(N)=O)c1ccccc1-c1oc(N)nc12)[*:1]
CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)N1CC(N)=O)c1ccccc1-c1oc(N)nc12 NC(=O)C[*:1] CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)N1[*:1])c1ccccc1-c1oc(N)nc12
CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)N1CC(N)=O)c1ccccc1-c1oc(N)nc12 NC(=O)[*:1] CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)N1C[*:1])c1ccccc1-c1oc(N)nc12
CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)N1CC(N)=O)c1ccccc1-c1oc(N)nc12 CC(C)[*:1] CC1=C(C(=O)O[*:1])[C@@]2(C(=O)N1CC(N)=O)c1ccccc1-c1oc(N)nc12
COc1ccc(NC(=O)C(=O)N[C@H](C#N)C(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)NC(=O)C(=O)N[C@H](C#N)[*:1]
CCC[C@H](C)C(=O)N[C@H](CCC)c1nnc2ccccn12 CCC[C@H](C)[*:1] CCC[C@@H](NC(=O)[*:1])c1nnc2ccccn12
CCC[C@H](C)C(=O)N[C@H](CCC)c1nnc2ccccn12 CCC[*:1] CCC[C@@H](NC(=O)[C@@H](C)[*:1])c1nnc2ccccn12
CCC[C@H](C)C(=O)N[C@H](CCC)c1nnc2ccccn12 CCC[*:1] CCC[C@H](C)C(=O)N[C@H](c1nnc2ccccn12)[*:1]
Nc1cnc(NC[C@H](O)CO)c(Br)c1 OC[C@@H](O)[*:1] Nc1cnc(NC[*:1])c(Br)c1
CCN(CCc1ccncc1)[C@@H](C)c1cccc(O)c1 c1cc(ccn1)[*:1] CCN(CC[*:1])[C@@H](C)c1cccc(O)c1
CC(C)CCSc1nnc(C2CC[NH2+]CC2)o1 CC(C)CC[*:1] C1CC(CC[NH2+]1)c1nnc(o1)S[*:1]
CC(C)CCSc1nnc(C2CC[NH2+]CC2)o1 CC(C)C[*:1] C1CC(CC[NH2+]1)c1nnc(o1)SC[*:1]
CC(C)CCSc1nnc(C2CC[NH2+]CC2)o1 CC(C)[*:1] C1CC(CC[NH2+]1)c1nnc(o1)SCC[*:1]
CC1(C)CCC[C@H]1Nc1ccc(S(N)(=O)=O)cc1Br NS(=O)(=O)[*:1] CC1(C)CCC[C@H]1Nc1ccc(cc1Br)[*:1]
O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 C1CC1[*:1] O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(n1C1CC1)[*:1])c1ccccc1
O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(N[*:1])[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1
O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(C2CC2)n1C1CC1)[*:1]
O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 C1CC1[*:1] O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(C2CC2)n1[*:1])c1ccccc1
Cc1cc(C)cc(NC(=O)C(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)N[*:1]
Cc1cc(C)cc(NC(=O)C(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)NC[*:1]
C/C(=N\NC(=S)Nc1c(C)cccc1C)c1ccccn1 c1ccc(nc1)[*:1] CC(=NNC(=S)Nc1c(C)cccc1C)[*:1]
O=C(C[C@@H]1OC(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(C[C@@H]1OC(=O)c2ccccc21)c1cccc(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCN(S(C)(=O)=O)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C[NH2+]C1CCN(CC1)S(C)(=O)=O)[*:1]
CC(C)c1nc(OCC(=O)[O-])cc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CC(C)c1nc(cc(n1)[*:1])OCC(=O)[O-]
CC(C)c1nc(OCC(=O)[O-])cc(-c2ccccn2)n1 O=C([O-])CO[*:1] CC(C)c1nc(cc(n1)[*:1])-c1ccccn1
CC(C)c1nc(OCC(=O)[O-])cc(-c2ccccn2)n1 O=C([O-])[*:1] CC(C)c1nc(cc(n1)-c1ccccn1)OC[*:1]
CC(C)c1nc(OCC(=O)[O-])cc(-c2ccccn2)n1 CC(C)[*:1] O=C([O-])COc1cc(nc(n1)[*:1])-c1ccccn1
CC(C)c1nc(OCC(=O)[O-])cc(-c2ccccn2)n1 O=C([O-])C[*:1] CC(C)c1nc(cc(n1)-c1ccccn1)O[*:1]
C[C@H]1CCCCN1C(=O)N[C@H](C)c1nncn1C Cn1cnnc1[*:1] C[C@H]1CCCCN1C(=O)N[C@H](C)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3sccc32)C(=O)N1Cc1ccccc1F Fc1ccccc1[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3sccc32)C(=O)N1C[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3sccc32)C(=O)N1Cc1ccccc1F Fc1ccccc1C[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3sccc32)C(=O)N1[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1n[nH]c2c1CCc1ncccc1-2 O=C(N1CCCC1)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1n[nH]c2-c3cccnc3CCc12
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1n[nH]c2c1CCc1ncccc1-2 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)N1CCCC1)[*:1])c1n[nH]c2-c3cccnc3CCc12
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1n[nH]c2c1CCc1ncccc1-2 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)N1CCCC1)c1n[nH]c2-c3cccnc3CCc12
COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3)[nH]n2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)[C@@H](C)NC(=O)c1cc([nH]n1)[*:1]
C=C1[C@@H](C(=O)Nc2c(C)cc(C)cc2C)[C@@H]1C(=O)Nc1c(C)cc(C)cc1C Cc1cc(C)c(c(C)c1)[*:1] C=C1[C@@H](C(=O)Nc2c(C)cc(C)cc2C)[C@@H]1C(=O)N[*:1]
CCOc1ccc(S(=O)(=O)Oc2ccc(F)cc2Cl)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])S(=O)(=O)Oc1ccc(F)cc1Cl
CCOc1ccc(S(=O)(=O)Oc2ccc(F)cc2Cl)cc1OCC Fc1ccc(c(Cl)c1)[*:1] CCOc1ccc(cc1OCC)S(=O)(=O)O[*:1]
CCOc1ccc(S(=O)(=O)Oc2ccc(F)cc2Cl)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])S(=O)(=O)Oc1ccc(F)cc1Cl
CCC1([C@@H]([NH2+]C)c2cnn(-c3ccccc3)c2)CCCC1 CCC1(CCCC1)[*:1] C[NH2+][C@@H](c1cnn(c1)-c1ccccc1)[*:1]
CCC1([C@@H]([NH2+]C)c2cnn(-c3ccccc3)c2)CCCC1 c1ccc(cc1)[*:1] CCC1(CCCC1)[C@@H]([NH2+]C)c1cnn(c1)[*:1]
COc1ccc(C(=O)NNC(=O)c2cccn2C)cn1 Cn1cccc1[*:1] COc1ccc(cn1)C(=O)NNC(=O)[*:1]
O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NC[C@@H]1COc2ccccc2O1 C1CCC(C1)[*:1] O=C(CN1C(=O)C(=O)N(C1=O)[*:1])NC[C@@H]1COc2ccccc2O1
O=C(CCC(F)(F)F)Nc1cccc(C(=O)Nc2ccncc2)c1 c1cc(ccn1)[*:1] O=C(CCC(F)(F)F)Nc1cccc(c1)C(=O)N[*:1]
O=C(CCC(F)(F)F)Nc1cccc(C(=O)Nc2ccncc2)c1 FC(F)(F)CC[*:1] O=C(Nc1ccncc1)c1cccc(c1)NC(=O)[*:1]
O=C(CCC(F)(F)F)Nc1cccc(C(=O)Nc2ccncc2)c1 FC(F)(F)C[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)Nc1ccncc1
O=C(CCC(F)(F)F)Nc1cccc(C(=O)Nc2ccncc2)c1 FC(F)(F)[*:1] O=C(CC[*:1])Nc1cccc(c1)C(=O)Nc1ccncc1
C#CC[C@@H](C)OC(=O)c1cc(C)oc1C C#CC[*:1] Cc1cc(C(=O)O[C@H](C)[*:1])c(C)o1
C#CC[C@@H](C)OC(=O)c1cc(C)oc1C C#CC[C@@H](C)[*:1] Cc1cc(C(=O)O[*:1])c(C)o1
CC(C)CCNc1c(Br)cc(Cl)cc1C(=O)NN CC(C)C[*:1] NNC(=O)c1cc(Cl)cc(Br)c1NC[*:1]
CC(C)CCNc1c(Br)cc(Cl)cc1C(=O)NN CC(C)CC[*:1] NNC(=O)c1cc(Cl)cc(Br)c1N[*:1]
CC(C)CCNc1c(Br)cc(Cl)cc1C(=O)NN NNC(=O)[*:1] CC(C)CCNc1c(Br)cc(Cl)cc1[*:1]
CC(C)CCNc1c(Br)cc(Cl)cc1C(=O)NN CC(C)[*:1] NNC(=O)c1cc(Cl)cc(Br)c1NCC[*:1]
CC(C)CCNc1c(Br)cc(Cl)cc1C(=O)NN CC(C)CCN[*:1] NNC(=O)c1cc(Cl)cc(Br)c1[*:1]
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C1 CC(=O)O[*:1] C[C@]12CC[C@H](C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12)[*:1]
O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1cccc2nsnc12 Clc1ccc(c(Cl)c1)[*:1] O=C(COC(=O)C[*:1])Nc1cccc2nsnc12
CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)CO[*:1]
CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Cl)cc2)CC1 CC1CCN(CC1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2C[C@@H](O)COc1ccc(Cl)cc1)[*:1]
CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)OC[*:1] CC1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)[*:1]
CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)O[*:1] CC1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)C[*:1]
CSCC[C@H]([NH3+])C(=O)NCc1c(C)nn(C)c1C CSCC[*:1] Cc1nn(C)c(C)c1CNC(=O)[C@@H]([NH3+])[*:1]
CSCC[C@H]([NH3+])C(=O)NCc1c(C)nn(C)c1C CSC[*:1] Cc1nn(C)c(C)c1CNC(=O)[C@@H]([NH3+])C[*:1]
CSc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 c1coc(c1)[*:1] CSc1ccccc1NC(=O)c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)F)[*:1]
CSc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 FC(F)(F)[*:1] CSc1ccccc1NC(=O)c1cc2N[C@H](C[C@@H](n2n1)[*:1])c1ccco1
CSc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 CSc1ccccc1[*:1] O=C(N[*:1])c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)c1ccco1
CCC[NH2+]C[C@H]1CCCN1C[C@@H]1CN(C)CCO1 CCC[*:1] CN1CCO[C@@H](C1)CN1CCC[C@@H]1C[NH2+][*:1]
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cnc(s1)[*:1]
Cc1ccc2cc(C[NH+](C)Cc3ccccn3)c(=O)[nH]c2c1 c1ccc(C[*:1])nc1 Cc1ccc2cc(C[NH+](C)[*:1])c(=O)[nH]c2c1
Cc1ccc2cc(C[NH+](C)Cc3ccccn3)c(=O)[nH]c2c1 c1ccc(nc1)[*:1] Cc1ccc2cc(C[NH+](C)C[*:1])c(=O)[nH]c2c1
Cc1ccc(-c2noc(CCCN3CCN(C(=O)[C@H]4C[C@@H]4c4ccccc4F)CC3)n2)cc1 Cc1ccc(cc1)[*:1] O=C([C@H]1C[C@@H]1c1ccccc1F)N1CCN(CCCc2nc(no2)[*:1])CC1
Cc1ccc(-c2noc(CCCN3CCN(C(=O)[C@H]4C[C@@H]4c4ccccc4F)CC3)n2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-c1noc(CCCN2CCN(CC2)C(=O)[C@H]2C[C@H]2[*:1])n1
CCc1nncn1CC[NH2+][C@H](C)c1nc2ccccc2n1C CCc1nncn1[*:1] C[C@@H]([NH2+]CC[*:1])c1nc2ccccc2n1C
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc(SC)o2)cc1 CSc1ccc(o1)[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)[*:1]
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 CC(=O)N[*:1] CC[C@H](C)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 CC[C@H](C)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)COc1ccc(cc1)[*:1]
CSc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 CSc1ccccc1[*:1] Cc1ccc(-c2csc(n2)NC(=O)[*:1])c(C)c1
CSc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 Cc1ccc(c(C)c1)[*:1] CSc1ccccc1C(=O)Nc1nc(cs1)[*:1]
COc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1OC c1coc(c1)[*:1] COc1cccc(C(=O)NC[C@@H]([NH+]2CCCC2)[*:1])c1OC
C[NH2+][C@@H](C)c1cccn1CCCc1ccccc1 c1ccc(cc1)[*:1] C[NH2+][C@@H](C)c1cccn1CCC[*:1]
O=C(/C=C/c1cccnc1)NCCNc1ccc(C(F)(F)F)cn1 C(=C[*:1])c1cccnc1 O=C(NCCNc1ccc(cn1)C(F)(F)F)[*:1]
O=C(/C=C/c1cccnc1)NCCNc1ccc(C(F)(F)F)cn1 c1cncc(c1)[*:1] O=C(C=C[*:1])NCCNc1ccc(cn1)C(F)(F)F
O=C(/C=C/c1cccnc1)NCCNc1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] O=C(/C=C/c1cccnc1)NCCNc1ccc(cn1)[*:1]
C[C@@H](Oc1ccccc1N)C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1N)C(=O)[*:1]
CC(C)C[C@@H]1NC(=O)[C@H]2CN(Cc3cccc4ncccc34)CCN2C1=O CC(C)C[*:1] O=C1N[C@H](C(=O)N2CCN(Cc3cccc4ncccc34)C[C@H]12)[*:1]
CC(C)C[C@@H]1NC(=O)[C@H]2CN(Cc3cccc4ncccc34)CCN2C1=O CC(C)[*:1] O=C1N[C@@H](C[*:1])C(=O)N2CCN(Cc3cccc4ncccc34)C[C@H]12
CC(C)n1cnnc1SCC(=O)O[C@@H](C#N)C1CC1 CC(C)[*:1] N#C[C@H](OC(=O)CSc1nncn1[*:1])C1CC1
CC(C)n1cnnc1SCC(=O)O[C@@H](C#N)C1CC1 C1CC1[*:1] CC(C)n1cnnc1SCC(=O)O[C@@H](C#N)[*:1]
Cc1nn(C)c2cnn([C@@H](C)C(=O)NCC(=O)N3CCCC3)c12 O=C(N1CCCC1)[*:1] Cc1nn(C)c2cnn(c12)[C@@H](C)C(=O)NC[*:1]
O=C(Oc1ccc2nccnc2c1)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] O=C(Oc1ccc2nccnc2c1)c1cc(ccc1F)[*:1]
CCCCOc1ccc(C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)cc1 CCC[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)c1ccc(cc1)OC[*:1]
CCCCOc1ccc(C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)cc1 CCCCO[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)c1ccc(cc1)[*:1]
CCCCOc1ccc(C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)cc1 O=C1OCCN1[*:1] CCCCOc1ccc(cc1)C(=O)Nc1ccc(C)c(c1)[*:1]
CCCCOc1ccc(C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)cc1 CCCC[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)c1ccc(cc1)O[*:1]
COC(=O)c1ccc(NCCC(=O)NC2CC2)c(F)c1F O=C(C[*:1])NC1CC1 COC(=O)c1ccc(NC[*:1])c(F)c1F
COC(=O)c1ccc(NCCC(=O)NC2CC2)c(F)c1F C1CC1[*:1] COC(=O)c1ccc(NCCC(=O)N[*:1])c(F)c1F
COC(=O)c1ccc(NCCC(=O)NC2CC2)c(F)c1F COC(=O)[*:1] O=C(CCNc1ccc(c(F)c1F)[*:1])NC1CC1
COC(=O)c1ccc(NCCC(=O)NC2CC2)c(F)c1F O=C(NC1CC1)[*:1] COC(=O)c1ccc(NCC[*:1])c(F)c1F
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(OC(F)F)cc2)o1 Cc1ccccc1[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc(cc1)OC(F)F
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(OC(F)F)cc2)o1 FC(F)[*:1] Cc1ccccc1-c1nnc(o1)SCC(=O)Nc1ccc(cc1)O[*:1]
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(OC(F)F)cc2)o1 FC(F)O[*:1] Cc1ccccc1-c1nnc(o1)SCC(=O)Nc1ccc(cc1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2ccc(N(C)C)[nH+]c2)C1 CC(C)[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N1CC[C@H](C1)OCC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2ccc(N(C)C)[nH+]c2)C1 CN(C)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)Nc1ccc([nH+]c1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2ccc(N(C)C)[nH+]c2)C1 CC(C)CC[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2ccc(N(C)C)[nH+]c2)C1 CC(C)C[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N1CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2ccc(N(C)C)[nH+]c2)C1 CC(C)CCO[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N1CC[C@H](C1)[*:1]
COC(=O)c1ccc(NC(=O)N2C[C@@H](C)CC[C@@H]2C)cc1F COC(=O)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)c1nc([C@@H](C)NC(=O)[C@H]2COCCO2)cs1 CC(C)[*:1] C[C@@H](NC(=O)[C@H]1COCCO1)c1csc(n1)[*:1]
CC(C)c1nc([C@@H](C)NC(=O)[C@H]2COCCO2)cs1 C1CO[C@H](CO1)[*:1] CC(C)c1nc(cs1)[C@@H](C)NC(=O)[*:1]
O=C(NCc1ccsc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 c1cc(cs1)[*:1] O=C(NC[*:1])c1cc(=O)[nH]c2ccc(cc12)[N+](=O)[O-]
O=C(NCc1ccsc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 c1cc(cs1)C[*:1] O=C(N[*:1])c1cc(=O)[nH]c2ccc(cc12)[N+](=O)[O-]
O=C(NCc1ccsc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(NCc1ccsc1)c1cc(=O)[nH]c2ccc(cc12)[*:1]
Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCC[C@@H](C)C4)cnc32)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H]1CCCN(C1)C(=O)Cn1cnc2c(cnn2[*:1])c1=O
Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCC[C@@H](C)C4)cnc32)c1 C[C@@H]1CCCN(C1)C(=O)[*:1] Cc1cc(C)cc(c1)-n1ncc2c(=O)n(cnc21)C[*:1]
CCCc1nc(C)c(CN2Cc3ncccc3C2=O)s1 CCC[*:1] Cc1nc(sc1CN1Cc2ncccc2C1=O)[*:1]
C[C@@H]1CN(Cc2ccc([N+](=O)[O-])o2)C[C@@H](C(N)=O)O1 O=[N+]([O-])[*:1] C[C@@H]1CN(Cc2ccc(o2)[*:1])C[C@H](O1)C(N)=O
C[C@@H]1CN(Cc2ccc([N+](=O)[O-])o2)C[C@@H](C(N)=O)O1 NC(=O)[*:1] C[C@@H]1CN(Cc2ccc(o2)[N+](=O)[O-])C[C@@H](O1)[*:1]
CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 CCO[C@H](C)[*:1] O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 CCO[*:1] C[C@H](C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Nc1ccccc1OC[C@@H]1CCCCO1)[*:1]
O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)c3ccccc3Br)cc21 c1csc(c1)[*:1] O=C(N1CCc2ccc(cc21)NS(=O)(=O)c1ccccc1Br)[*:1]
O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)c3ccccc3Br)cc21 Brc1ccccc1[*:1] O=C(c1cccs1)N1CCc2ccc(cc21)NS(=O)(=O)[*:1]
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1cccc(Cl)c1 FC(F)(F)[*:1] C[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1])c1cccc(Cl)c1
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1cccc(Cl)c1 FC(F)(F)c1cccc(c1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1cccc(Cl)c1
Cc1c(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NC[C@H]1CCCN(C1)c1ncccn1
Cc1c(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)cccc1[N+](=O)[O-] c1cnc(nc1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN(C1)[*:1]
C[C@@H]([NH3+])Cc1ccc(C(=O)Cl)cc1 O=C(Cl)[*:1] C[C@@H]([NH3+])Cc1ccc(cc1)[*:1]
C[C@@H]([NH3+])Cc1ccc(C(=O)Cl)cc1 C[C@@H]([NH3+])C[*:1] O=C(Cl)c1ccc(cc1)[*:1]
COC(=O)c1cccc(N2CCN(c3ccc(F)cc3)CC2)n1 COC(=O)[*:1] Fc1ccc(cc1)N1CCN(CC1)c1cccc(n1)[*:1]
COC(=O)c1cccc(N2CCN(c3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] COC(=O)c1cccc(n1)N1CCN(CC1)[*:1]
Cc1cnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] Cc1cnc([N-]S(=O)(=O)c2ccccc2[*:1])s1
O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc2c(c1)CCC2 c1ccc2c(c[nH]c2c1)[*:1] O=C(CSc1nnc(o1)[*:1])c1ccc2CCCc2c1
O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)[*:1]
Cc1nn(C)cc1NC(=S)Nc1ccc(S(N)(=O)=O)cc1 Cc1nn(C)cc1[*:1] NS(=O)(=O)c1ccc(cc1)NC(=S)N[*:1]
Cc1nn(C)cc1NC(=S)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cc1nn(C)cc1NC(=S)Nc1ccc(cc1)[*:1]
CN(Cc1[nH+]ccn1C)C(=O)C1(c2cccc(Cl)c2)CCC1 Clc1cccc(c1)[*:1] CN(Cc1[nH+]ccn1C)C(=O)C1(CCC1)[*:1]
CCC[C@H](COC)NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 CCC[*:1] COC[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)[*:1]
CCC[C@H](COC)NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 COC[*:1] CCC[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)[*:1]
Cc1cc(NC(=O)C(=O)NC[C@](C)(O)c2ccsc2)c2ncccc2c1 c1cc(cs1)[*:1] Cc1cc(NC(=O)C(=O)NC[C@](C)(O)[*:1])c2ncccc2c1
C[C@@](O)(CNC(=O)/C=C/c1cccs1)CN1CCOCC1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)C=C[*:1])CN1CCOCC1
C[C@@](O)(CNC(=O)/C=C/c1cccs1)CN1CCOCC1 C(=C[*:1])c1cccs1 C[C@@](O)(CNC(=O)[*:1])CN1CCOCC1
C[C@@](O)(CNC(=O)/C=C/c1cccs1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@](O)(CNC(=O)/C=C/c1cccs1)C[*:1]
C[C@@](O)(CNC(=O)/C=C/c1cccs1)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@](O)(CNC(=O)/C=C/c1cccs1)[*:1]
CC(=O)Nc1cccc(OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 CC(=O)N[*:1] Cc1noc2nc(cc(C(=O)Oc3cccc(c3)[*:1])c12)C1CC1
CC(=O)Nc1cccc(OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 C1CC1[*:1] CC(=O)Nc1cccc(c1)OC(=O)c1cc(nc2onc(C)c12)[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1ncccc1F)C1CC1 C1CC1[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1ncccc1F)[*:1]
O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2sc3ccccc3c2Cl)CC1 c1cc2OCOc2cc1[*:1] O=C(N1CCN(CC1)Cc1sc2ccccc2c1Cl)[*:1]
CC(=O)NCC(=O)NCc1c(C)noc1C CC(=O)NC[*:1] Cc1noc(C)c1CNC(=O)[*:1]
CC(=O)NCC(=O)NCc1c(C)noc1C CC(=O)N[*:1] Cc1noc(C)c1CNC(=O)C[*:1]
C[C@H]1CCCC[C@@H]1CNC(=O)N[C@@H](c1nccs1)C1CC1 C[C@H]1CCCC[C@H]1[*:1] O=C(NC[*:1])N[C@@H](c1nccs1)C1CC1
C[C@H]1CCCC[C@@H]1CNC(=O)N[C@@H](c1nccs1)C1CC1 c1csc(n1)[*:1] C[C@H]1CCCC[C@@H]1CNC(=O)N[C@@H](C1CC1)[*:1]
C[C@H]1CCCC[C@@H]1CNC(=O)N[C@@H](c1nccs1)C1CC1 C1CC1[*:1] C[C@H]1CCCC[C@@H]1CNC(=O)N[C@@H](c1nccs1)[*:1]
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1cccs1 Fc1ccc(c(Cl)c1)[*:1] CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[*:1])[C@@H]1c1cccs1
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1cccs1 CC(C)C[*:1] O=C(Nc1ccc(F)cc1Cl)[C@H]1c2ccccc2C(=O)N([C@H]1c1cccs1)[*:1]
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1cccs1 c1csc(c1)[*:1] CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2Cl)[C@H]1[*:1]
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2Cl)[C@@H]1c1cccs1 CC(C)[*:1] O=C(Nc1ccc(F)cc1Cl)[C@H]1c2ccccc2C(=O)N(C[*:1])[C@H]1c1cccs1
Cc1ccc(N2C[C@H](C(=O)Nc3cccnc3)CC2=O)cc1Cl c1cncc(c1)[*:1] Cc1ccc(cc1Cl)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCOC(=O)C1=C(C)[C@@H](C(=O)N(C)CCC#N)C(C)=N1 CCOC(=O)[*:1] CC1=NC(=C(C)[C@H]1C(=O)N(C)CCC#N)[*:1]
CCOC(=O)C1=C(C)[C@@H](C(=O)N(C)CCC#N)C(C)=N1 N#CCC[*:1] CCOC(=O)C1N=C(C)[C@H](C(=O)N(C)[*:1])C=1C
CCOC(=O)C1=C(C)[C@@H](C(=O)N(C)CCC#N)C(C)=N1 N#CC[*:1] CCOC(=O)C1N=C(C)[C@H](C(=O)N(C)C[*:1])C=1C
C[C@H](C#N)CNC(=O)C(=O)Nc1ccnn1Cc1ccccc1F Fc1ccccc1C[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccnn1[*:1]
C[C@H](C#N)CNC(=O)C(=O)Nc1ccnn1Cc1ccccc1F Fc1ccccc1[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccnn1C[*:1]
CN(c1ccccc1C(=O)Nc1ccccc1Sc1ccccc1)S(C)(=O)=O c1ccc(cc1)S[*:1] CN(c1ccccc1C(=O)Nc1ccccc1[*:1])S(C)(=O)=O
CN(c1ccccc1C(=O)Nc1ccccc1Sc1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] CN(c1ccccc1C(=O)Nc1ccccc1S[*:1])S(C)(=O)=O
CN(c1ccccc1C(=O)Nc1ccccc1Sc1ccccc1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(Nc1ccccc1Sc1ccccc1)c1ccccc1[*:1]
Cn1cc(NC(=O)c2ccccc2OCc2ccccc2Cl)cn1 Clc1ccccc1[*:1] Cn1cc(cn1)NC(=O)c1ccccc1OC[*:1]
Cn1cc(NC(=O)c2ccccc2OCc2ccccc2Cl)cn1 Clc1ccccc1C[*:1] Cn1cc(cn1)NC(=O)c1ccccc1O[*:1]
Cn1cc(NC(=O)c2ccccc2OCc2ccccc2Cl)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])c1ccccc1OCc1ccccc1Cl
COc1ccc(CNC(=O)CN2CCN(c3ccccc3OC)C2=O)cc1 COc1ccccc1[*:1] COc1ccc(cc1)CNC(=O)CN1CCN(C1=O)[*:1]
COc1ccc(CNC(=O)CN2CCN(c3ccccc3OC)C2=O)cc1 COc1ccc(cc1)C[*:1] COc1ccccc1N1CCN(CC(=O)N[*:1])C1=O
COc1ccc(CNC(=O)CN2CCN(c3ccccc3OC)C2=O)cc1 COc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC(=O)NC[*:1])C1=O
CCN[C@H](c1cccc(C)c1)C(C)(C)[NH+]1CCCC1 CCN[*:1] Cc1cccc(c1)[C@H](C(C)(C)[NH+]1CCCC1)[*:1]
Cc1cc(C)cc(NC(=O)CCc2ccc(C)o2)c1 Cc1ccc(o1)[*:1] Cc1cc(C)cc(c1)NC(=O)CC[*:1]
O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 O=C([O-])[*:1] O=S(=O)(Nc1ccc2OCCOc2c1)c1ccc(C=C[*:1])cc1
O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 O=C([O-])C=C[*:1] O=S(=O)(Nc1ccc2OCCOc2c1)c1ccc(cc1)[*:1]
CSc1cccc(C(=O)N(Cc2ccco2)c2nc3c(F)cc(F)cc3s2)c1 c1coc(c1)C[*:1] CSc1cccc(c1)C(=O)N(c1nc2c(F)cc(F)cc2s1)[*:1]
CSc1cccc(C(=O)N(Cc2ccco2)c2nc3c(F)cc(F)cc3s2)c1 CSc1cccc(c1)[*:1] O=C(N(Cc1ccco1)c1nc2c(F)cc(F)cc2s1)[*:1]
CSc1cccc(C(=O)N(Cc2ccco2)c2nc3c(F)cc(F)cc3s2)c1 c1coc(c1)[*:1] CSc1cccc(c1)C(=O)N(C[*:1])c1nc2c(F)cc(F)cc2s1
CNC(=O)COC(=O)c1ccc(CNC(C)=O)cc1 CC(=O)N[*:1] CNC(=O)COC(=O)c1ccc(cc1)C[*:1]
CNC(=O)COC(=O)c1ccc(CNC(C)=O)cc1 CNC(=O)C[*:1] CC(=O)NCc1ccc(cc1)C(=O)O[*:1]
CNC(=O)COC(=O)c1ccc(CNC(C)=O)cc1 CNC(=O)[*:1] CC(=O)NCc1ccc(cc1)C(=O)OC[*:1]
CNC(=O)COC(=O)c1ccc(CNC(C)=O)cc1 CC(=O)NC[*:1] CNC(=O)COC(=O)c1ccc(cc1)[*:1]
CCC[C@H]1NC(=O)CCN([C@@H](C)c2c(C)noc2C)C1=O CCC[*:1] Cc1noc(C)c1[C@H](C)N1CCC(=O)N[C@@H](C1=O)[*:1]
CCC[C@H]1NC(=O)CCN([C@@H](C)c2c(C)noc2C)C1=O Cc1noc(C)c1[*:1] CCC[C@H]1NC(=O)CCN(C1=O)[C@@H](C)[*:1]
COc1cc([C@@H]2NC(=O)[C@H]3CCCCN32)ccc1OCC(F)(F)F FC(F)(F)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1NC(=O)[C@H]2CCCCN21
COc1cc([C@@H]2NC(=O)[C@H]3CCCCN32)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1cc(ccc1[*:1])[C@@H]1NC(=O)[C@H]2CCCCN21
COc1cc([C@@H]2NC(=O)[C@H]3CCCCN32)ccc1OCC(F)(F)F FC(F)(F)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1NC(=O)[C@H]2CCCCN21
CCOC(=O)/C=C(/C)N[C@H](C)c1ccccc1 CCOC(=O)[*:1] CC(=C[*:1])N[C@H](C)c1ccccc1
O=C(Cc1ccc2ccccc2n1)CC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1ccc2ccccc2n1)C[*:1]
O=C(C(=O)N1CCN(c2ncccc2F)CC1)N1CCCC1 Fc1cccnc1[*:1] O=C(C(=O)N1CCN(CC1)[*:1])N1CCCC1
COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(Cl)s2)c1 Clc1ccc(s1)[*:1] COc1ccc(OC)c(c1)[C@H](C)NC(=O)[*:1]
Cc1ccc(C)c(NC(=O)CCCOc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CCCO[*:1]
O=C1CCCN1CN1CCc2c(F)ccc(F)c2C1 O=C1CCCN1[*:1] Fc1ccc(F)c2CN(CCc12)C[*:1]
Cc1cc(C)cc(CS(=O)(=O)[C@@H](C)c2ncc(C(C)(C)C)o2)c1 CC(C)(C)[*:1] Cc1cc(C)cc(c1)CS(=O)(=O)[C@@H](C)c1ncc(o1)[*:1]
C[C@@H]1CCc2onc(C(=O)NC3=NN(c4ccccc4)CC3)c2C1 c1ccc(cc1)[*:1] C[C@@H]1CCc2onc(C(=O)NC3CCN(N=3)[*:1])c2C1
O=c1c2cc3c(=O)n([C@@H]4C=CN=N4)ccc3nc2ccn1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1[C@@H]1C=CN=N1)[*:1]
CCOc1cccnc1C(=O)OCCc1nc2ccccc2s1 CCO[*:1] O=C(OCCc1nc2ccccc2s1)c1ncccc1[*:1]
Cn1cc(CCC[NH+](C)C2Cc3ccccc3C2)cn1 Cn1cc(cn1)[*:1] C[NH+](CCC[*:1])C1Cc2ccccc2C1
C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)N1CCN(CC1)c1ncccn1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C(F)(F)F)cc1 c1cnc(nc1)[*:1] C[C@H](NC(=O)N1CCN(CC1)[*:1])c1ccc(cc1)C(F)(F)F
Cc1cccc2[nH]cc(CC(=O)N3CCC(OCc4ccccc4F)CC3)c12 Fc1ccccc1[*:1] Cc1cccc2[nH]cc(CC(=O)N3CCC(CC3)OC[*:1])c12
Cc1cccc2[nH]cc(CC(=O)N3CCC(OCc4ccccc4F)CC3)c12 Fc1ccccc1CO[*:1] Cc1cccc2[nH]cc(CC(=O)N3CCC(CC3)[*:1])c12
Cc1cccc2[nH]cc(CC(=O)N3CCC(OCc4ccccc4F)CC3)c12 Fc1ccccc1C[*:1] Cc1cccc2[nH]cc(CC(=O)N3CCC(CC3)O[*:1])c12
O=C1/C(=C\c2ccc3c(c2)OCO3)NC(=S)N1C1CCCCC1 C1CCC(CC1)[*:1] O=C1/C(=C\c2ccc3OCOc3c2)NC(=S)N1[*:1]
CC(=O)[C@@H](C)S[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 CC(=O)[*:1] C[C@@H](S[C@H](C)[*:1])C(=O)N1CCN(CC1)c1ccc(F)cc1
CC(=O)[C@@H](C)S[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(=O)[C@@H](C)S[C@H](C)C(=O)N1CCN(CC1)[*:1]
CO/N=C/c1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 CON=C[*:1] Cc1cc(Cl)ccc1NC(=O)c1ccc(cc1)[*:1]
CCOC(=O)C[NH+](C)C1CC1 C1CC1[*:1] CCOC(=O)C[NH+](C)[*:1]
CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 CCn1cnc(c1)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 c1ccc(cc1)[*:1] CCn1cnc(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCc1cc(C[C@H](C[NH2+]C)c2ccc(Cl)cc2)n(CC)n1 Clc1ccc(cc1)[*:1] CCc1cc(C[C@H](C[NH2+]C)[*:1])n(CC)n1
COc1ccc(CNC(=O)N[C@@H](C)C(C)(C)C)c(OC(F)F)c1 FC(F)[*:1] COc1ccc(CNC(=O)N[C@@H](C)C(C)(C)C)c(c1)O[*:1]
COc1ccc(CNC(=O)N[C@@H](C)C(C)(C)C)c(OC(F)F)c1 CC(C)(C)[*:1] COc1ccc(CNC(=O)N[C@@H](C)[*:1])c(c1)OC(F)F
COc1ccc(CNC(=O)N[C@@H](C)C(C)(C)C)c(OC(F)F)c1 FC(F)O[*:1] COc1ccc(CNC(=O)N[C@@H](C)C(C)(C)C)c(c1)[*:1]
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCNC(=O)OC(C)(C)C Clc1ccc(c(Cl)c1)[*:1] C[C@H](N(C)C(=O)CCNC(=O)OC(C)(C)C)[*:1]
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCNC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC[*:1]
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCNC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCNC(=O)O[*:1]
CC[C@H](Cc1ccccc1)N(C)Cc1cnc2ncccn12 c1ccc(cc1)[*:1] CC[C@H](C[*:1])N(C)Cc1cnc2ncccn12
CC[C@H](Cc1ccccc1)N(C)Cc1cnc2ncccn12 c1ccc(cc1)C[*:1] CC[C@H](N(C)Cc1cnc2ncccn12)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1sccc1C)C(C(=O)OCC)=C(C)N2 Cc1ccsc1[*:1] C=CCSc1nc2NC(C)=C(C(=O)OCC)[C@@H](c2c(=O)[nH]1)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1sccc1C)C(C(=O)OCC)=C(C)N2 C=CC[*:1] CCOC(=O)C1=C(C)Nc2nc([nH]c(=O)c2[C@@H]1c1sccc1C)S[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1sccc1C)C(C(=O)OCC)=C(C)N2 C=CCS[*:1] CCOC(=O)C1=C(C)Nc2nc([nH]c(=O)c2[C@@H]1c1sccc1C)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1sccc1C)C(C(=O)OCC)=C(C)N2 CCOC(=O)[*:1] C=CCSc1nc2NC(C)=C([C@@H](c3sccc3C)c2c(=O)[nH]1)[*:1]
Cc1nc2ccccc2n1C[C@@H](O)COc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1nc2ccccc2n1C[C@@H](O)CO[*:1]
CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(C)cn23)n(C)c1=O CCOC(=O)C[*:1] Cc1ccc(cc1)-n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(C)cn23)n(C)c1=O Cc1ccc(cc1)[*:1] CCOC(=O)CCn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(C)cn23)n(C)c1=O CCOC(=O)CC[*:1] Cc1ccc(cc1)-n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(C)cn23)n(C)c1=O CCOC(=O)[*:1] Cc1ccc(cc1)-n1c(C)cn2c3c(=O)n(CC[*:1])c(=O)n(C)c3nc12
Cc1cc(C)n(-c2ccc(NC[C@@H](O)c3cccc(OC(C)C)c3)nn2)n1 Cc1cc(C)n(n1)[*:1] CC(C)Oc1cccc(c1)[C@H](O)CNc1ccc(nn1)[*:1]
Cc1cc(C)n(-c2ccc(NC[C@@H](O)c3cccc(OC(C)C)c3)nn2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)NC[C@@H](O)c1cccc(c1)O[*:1]
Cc1cc(C)n(-c2ccc(NC[C@@H](O)c3cccc(OC(C)C)c3)nn2)n1 CC(C)O[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)NC[C@@H](O)c1cccc(c1)[*:1]
O=C(Nc1ccc(OCc2cccnc2)cc1)N[C@@H]1C=C[C@H](CO)C1 c1cncc(c1)C[*:1] O=C(Nc1ccc(cc1)O[*:1])N[C@@H]1C=C[C@H](CO)C1
O=C(Nc1ccc(OCc2cccnc2)cc1)N[C@@H]1C=C[C@H](CO)C1 c1cncc(c1)CO[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1C=C[C@H](CO)C1
O=C(Nc1ccc(OCc2cccnc2)cc1)N[C@@H]1C=C[C@H](CO)C1 c1cncc(c1)[*:1] O=C(Nc1ccc(cc1)OC[*:1])N[C@@H]1C=C[C@H](CO)C1
Cc1ccn(C)c(=O)c1NC(=O)NNc1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] Cc1ccn(C)c(=O)c1NC(=O)NNc1nc(no1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nnc(-c4cccc(F)c4)o3)C2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1nnc(o1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nnc(-c4cccc(F)c4)o3)C2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1cccc(F)c1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
C[C@H]1CCN(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)[C@@H](C)C1 C1CN(CCO1)[*:1] C[C@H]1CCN(C(=O)NC[C@@H]([C@@H]2CCOC2)[*:1])[C@@H](C)C1
C[C@H]1CCN(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)[C@@H](C)C1 C1C[C@H](CO1)[*:1] C[C@H]1CCN(C(=O)NC[C@@H](N2CCOCC2)[*:1])[C@@H](C)C1
O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)N[C@H]1CC=CCC1 c1cncc(c1)[*:1] O=C(Nc1ccc2c(c1)CCN2C(=O)[*:1])N[C@H]1CC=CCC1
C[C@H]1CCC[C@H](C(=O)NCCC(=O)NC2CC2)[NH2+]1 C1CC1[*:1] C[C@H]1CCC[C@@H]([NH2+]1)C(=O)NCCC(=O)N[*:1]
C[C@H]1CCC[C@H](C(=O)NCCC(=O)NC2CC2)[NH2+]1 O=C(NC1CC1)[*:1] C[C@H]1CCC[C@@H]([NH2+]1)C(=O)NCC[*:1]
Cc1cnc(CNC(=O)N2CCCC[C@@H]2CCc2ccccc2)s1 Cc1cnc(s1)[*:1] O=C(NC[*:1])N1CCCC[C@@H]1CCc1ccccc1
Cc1cnc(CNC(=O)N2CCCC[C@@H]2CCc2ccccc2)s1 Cc1cnc(C[*:1])s1 O=C(N[*:1])N1CCCC[C@@H]1CCc1ccccc1
Cc1cnc(CNC(=O)N2CCCC[C@@H]2CCc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cnc(CNC(=O)N2CCCC[C@@H]2CC[*:1])s1
Cc1cnc(CNC(=O)N2CCCC[C@@H]2CCc2ccccc2)s1 c1ccc(cc1)C[*:1] Cc1cnc(CNC(=O)N2CCCC[C@@H]2C[*:1])s1
Cc1cnc(CNC(=O)N2CCCC[C@@H]2CCc2ccccc2)s1 c1ccc(cc1)CC[*:1] Cc1cnc(CNC(=O)N2CCCC[C@H]2[*:1])s1
COc1cc(F)cc(CNC(=O)c2cccc(CN3CCCC3=O)c2)c1 O=C1CCCN1[*:1] COc1cc(F)cc(c1)CNC(=O)c1cccc(c1)C[*:1]
COc1cc(F)cc(CNC(=O)c2cccc(CN3CCCC3=O)c2)c1 O=C1CCCN1C[*:1] COc1cc(F)cc(c1)CNC(=O)c1cccc(c1)[*:1]
O=C(N[C@@H]1CCSc2c(F)cccc21)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] O=C(N[C@@H]1CCSc2c(F)cccc21)c1cnc(s1)[*:1]
CC(C)(C)n1cc(C[NH2+]Cc2ccccc2N2CCCC2)cn1 C1CCN(C1)[*:1] CC(C)(C)n1cc(cn1)C[NH2+]Cc1ccccc1[*:1]
CC(C)(C)n1cc(C[NH2+]Cc2ccccc2N2CCCC2)cn1 CC(C)(C)[*:1] c1ccc(c(c1)C[NH2+]Cc1cnn(c1)[*:1])N1CCCC1
CCC[C@@H](C)C(=O)NCc1cnn(Cc2ccccc2)c1 CCC[C@@H](C)[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)[*:1]
CCC[C@@H](C)C(=O)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] CCC[C@@H](C)C(=O)NCc1cnn(c1)C[*:1]
CCC[C@@H](C)C(=O)NCc1cnn(Cc2ccccc2)c1 CCC[*:1] C[C@@H](C(=O)NCc1cnn(c1)Cc1ccccc1)[*:1]
CCC[C@@H](C)C(=O)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CCC[C@@H](C)C(=O)NCc1cnn(c1)[*:1]
COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1F Fc1ccc(cc1F)[*:1] COc1ccc(cc1F)[C@@H](C)NC(=O)C(=O)N[*:1]
CCc1ccc(C(C)(C)CNC(=O)Nc2cccc(N(C)C(C)=O)c2)cc1 CC(=O)N(C)[*:1] CCc1ccc(cc1)C(C)(C)CNC(=O)Nc1cccc(c1)[*:1]
CCc1ccc(C(C)(C)CNC(=O)Nc2cccc(N(C)C(C)=O)c2)cc1 CCc1ccc(cc1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)NCC(C)(C)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2cnc(-c3cnn(C)c3)s2)n1 CC(C)[*:1] Cn1cc(cn1)-c1ncc(s1)C(=O)[C@@H](C#N)c1nc(cs1)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2cnc(-c3cnn(C)c3)s2)n1 Cn1cc(cn1)[*:1] CC(C)c1csc(n1)[C@H](C#N)C(=O)c1cnc(s1)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2cnc(-c3cnn(C)c3)s2)n1 CC(C)c1csc(n1)[*:1] Cn1cc(cn1)-c1ncc(s1)C(=O)[C@@H](C#N)[*:1]
CC(C)CC(CO)(CO)C[C@H]1Cc2ccccc2O1 CC(C)C[*:1] OCC(CO)(C[C@H]1Cc2ccccc2O1)[*:1]
CC(C)CC(CO)(CO)C[C@H]1Cc2ccccc2O1 CC(C)[*:1] OCC(CO)(C[C@H]1Cc2ccccc2O1)C[*:1]
CCc1cnc(CN(C)C(=O)N[C@@H](C)CC)s1 CC[C@H](C)[*:1] CCc1cnc(CN(C)C(=O)N[*:1])s1
O=C(CC1(O)CCCC1)Oc1ccc(NC(=O)C2CC2)cc1 OC1(CCCC1)[*:1] O=C(C[*:1])Oc1ccc(cc1)NC(=O)C1CC1
O=C(CC1(O)CCCC1)Oc1ccc(NC(=O)C2CC2)cc1 OC1(CCCC1)C[*:1] O=C(Nc1ccc(cc1)OC(=O)[*:1])C1CC1
O=C(CC1(O)CCCC1)Oc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C(CC1(O)CCCC1)Oc1ccc(cc1)[*:1]
O=C(CC1(O)CCCC1)Oc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] O=C(CC1(O)CCCC1)Oc1ccc(cc1)NC(=O)[*:1]
CSCC(=O)NNC(=O)c1cc(C)cc(C)c1O CSC[*:1] Cc1cc(C)c(O)c(c1)C(=O)NNC(=O)[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)[C@@H]1COc2ccccc21 COc1ccccc1[*:1] C[C@H](C[*:1])N(C)C(=O)[C@@H]1COc2ccccc21
COc1cccc(C(=O)N/N=C/c2cccc(OC)c2OC(C)C)c1 CC(C)O[*:1] COc1cccc(c1)C(=O)N/N=C/c1cccc(OC)c1[*:1]
COc1cccc(C(=O)N/N=C/c2cccc(OC)c2OC(C)C)c1 CC(C)[*:1] COc1cccc(c1)C(=O)N/N=C/c1cccc(OC)c1O[*:1]
COc1cccc(C(=O)N/N=C/c2cccc(OC)c2OC(C)C)c1 COc1cccc(c1)[*:1] COc1cccc(/C=N/NC(=O)[*:1])c1OC(C)C
Cc1ccccc1C(=O)NCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 c1coc(c1)[*:1] Cc1ccccc1C(=O)NCC(=O)NC[C@H]([NH+]1CCCCC1)[*:1]
Cc1ccccc1C(=O)NCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 Cc1ccccc1[*:1] O=C(CNC(=O)[*:1])NC[C@H](c1ccco1)[NH+]1CCCCC1
CC(C)(NS(C)(=O)=O)C(=O)O[C@@H](c1ccccc1)c1cccnc1 CC(C)(NS(C)(=O)=O)[*:1] O=C(O[C@@H](c1ccccc1)c1cccnc1)[*:1]
CC(C)(NS(C)(=O)=O)C(=O)O[C@@H](c1ccccc1)c1cccnc1 CS(=O)(=O)N[*:1] CC(C)(C(=O)O[C@@H](c1ccccc1)c1cccnc1)[*:1]
CC(C)(NS(C)(=O)=O)C(=O)O[C@@H](c1ccccc1)c1cccnc1 c1cncc(c1)[*:1] CC(C)(NS(C)(=O)=O)C(=O)O[C@@H](c1ccccc1)[*:1]
CC(C)(NS(C)(=O)=O)C(=O)O[C@@H](c1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] CC(C)(NS(C)(=O)=O)C(=O)O[C@@H](c1cccnc1)[*:1]
CCCN1CCO[C@H](c2noc([C@@H](C)C(C)=O)n2)C1 CCC[*:1] CC(=O)[C@H](C)c1nc(no1)[C@@H]1CN(CCO1)[*:1]
CCCN1CCO[C@H](c2noc([C@@H](C)C(C)=O)n2)C1 CC(=O)[*:1] CCCN1CCO[C@@H](C1)c1noc(n1)[C@@H](C)[*:1]
CCCN1CCO[C@H](c2noc([C@@H](C)C(C)=O)n2)C1 CC(=O)[C@H](C)[*:1] CCCN1CCO[C@@H](C1)c1noc(n1)[*:1]
Cc1cc(=O)oc2cc(OC(=O)CCOC(C)C)ccc12 CC(C)O[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)CC[*:1]
Cc1cc(=O)oc2cc(OC(=O)CCOC(C)C)ccc12 CC(C)[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)CCO[*:1]
Cc1cc(=O)oc2cc(OC(=O)CCOC(C)C)ccc12 CC(C)OCC[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)[*:1]
Cc1cc(=O)oc2cc(OC(=O)CCOC(C)C)ccc12 CC(C)OC[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)C[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(C[NH2+]C2CC2)cc1F C1CC1[*:1] CC(C)(C)NS(=O)(=O)c1ccc(cc1F)C[NH2+][*:1]
CC(C)(C)NS(=O)(=O)c1ccc(C[NH2+]C2CC2)cc1F CC(C)(C)[*:1] O=S(=O)(N[*:1])c1ccc(cc1F)C[NH2+]C1CC1
CCn1cc(C#N)c(=O)n(Cc2nnc(C(=O)NCc3ccccc3)s2)c1=O c1ccc(cc1)[*:1] CCn1cc(C#N)c(=O)n(Cc2nnc(s2)C(=O)NC[*:1])c1=O
CCn1cc(C#N)c(=O)n(Cc2nnc(C(=O)NCc3ccccc3)s2)c1=O c1ccc(cc1)C[*:1] CCn1cc(C#N)c(=O)n(Cc2nnc(s2)C(=O)N[*:1])c1=O
Cn1c(/C(C#N)=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)nc2ccccc21 Cn1c(nc2ccccc21)[*:1] N#CC(=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
Cn1c(/C(C#N)=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)nc2ccccc21 O=S(=O)(N1CCOCC1)[*:1] Cn1c(nc2ccccc21)/C(C#N)=C/c1ccc(o1)-c1ccc(cc1)[*:1]
CCc1onc(C)c1NC(=O)NCc1ccc(OCc2ccccn2)cc1 c1ccc(C[*:1])nc1 CCc1onc(C)c1NC(=O)NCc1ccc(cc1)O[*:1]
CCc1onc(C)c1NC(=O)NCc1ccc(OCc2ccccn2)cc1 c1ccc(CO[*:1])nc1 CCc1onc(C)c1NC(=O)NCc1ccc(cc1)[*:1]
CCc1onc(C)c1NC(=O)NCc1ccc(OCc2ccccn2)cc1 c1ccc(nc1)[*:1] CCc1onc(C)c1NC(=O)NCc1ccc(cc1)OC[*:1]
CCc1onc(C)c1NC(=O)NCc1ccc(OCc2ccccn2)cc1 CCc1onc(C)c1[*:1] O=C(NCc1ccc(cc1)OCc1ccccn1)N[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)CC(C)(C)C)C1 CC(C)(C)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)CC(C)(C)C)C1 CC(C)(C)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)C[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](CC2CCCCC2)C(C)C)C1 CC(C)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)[C@@H](CC1CCCCC1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](CC2CCCCC2)C(C)C)C1 C1CCC(CC1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)[C@@H](C[*:1])C(C)C
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](CC2CCCCC2)C(C)C)C1 C1CCC(CC1)C[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)[C@@H](C(C)C)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](CC2CCCCC2)C(C)C)C1 CCNS(=O)(=O)[*:1] CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@H](C1)[*:1]
CC(=O)Nc1cccc(NC(=O)N[C@H](c2nccs2)C2CC2)c1C C1CC1[*:1] CC(=O)Nc1cccc(NC(=O)N[C@H](c2nccs2)[*:1])c1C
CC(=O)Nc1cccc(NC(=O)N[C@H](c2nccs2)C2CC2)c1C c1csc(n1)[*:1] CC(=O)Nc1cccc(NC(=O)N[C@H](C2CC2)[*:1])c1C
CC(=O)Nc1cccc(NC(=O)N[C@H](c2nccs2)C2CC2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)N[C@H](c1nccs1)C1CC1
Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)o1 Cc1ccc(o1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)o1 NC(=O)[*:1] Cc1ccc(o1)C(=O)Nc1sc2C[C@@H](C)CCc2c1[*:1]
N#Cc1cc(NCc2nnc(C3CC3)o2)ccc1Cl C1CC1[*:1] N#Cc1cc(ccc1Cl)NCc1nnc(o1)[*:1]
O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccc2oc(nc2c1)-c1ccc(F)cc1Cl)[*:1]
O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cccnc1 Fc1ccc(c(Cl)c1)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])c1cccnc1
CCOC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCOC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1noc2nc(C)n(CC(=O)N3CC[NH+](C4CCCCC4)CC3)c(=O)c12 C1CCC(CC1)[*:1] Cc1noc2nc(C)n(CC(=O)N3CC[NH+](CC3)[*:1])c(=O)c12
O=C(CCC(=O)c1ccc(F)c(F)c1)N[C@@H]1CCc2ccc(F)cc21 Fc1ccc(cc1F)[*:1] O=C(CCC(=O)[*:1])N[C@@H]1CCc2ccc(F)cc21
Cc1oc(-c2ccno2)cc1S(=O)(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1oc(cc1S(=O)(=O)N[*:1])-c1ccno1
Cc1oc(-c2ccno2)cc1S(=O)(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1oc(cc1S(=O)(=O)NC[*:1])-c1ccno1
Cc1oc(-c2ccno2)cc1S(=O)(=O)NC[C@H]1CCCO1 c1cc(on1)[*:1] Cc1oc(cc1S(=O)(=O)NC[C@H]1CCCO1)[*:1]
CCO[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 CCO[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])N[C@H]1C[C@H](C12CCC2)[*:1]
CCO[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C12CCC2 O=[N+]([O-])[*:1] CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(cc2)[*:1])C12CCC2
C[C@@]12C(=O)N(/N=C\c3ccc(Oc4ccccc4)cc3)CC(=O)N1CCc1c2[nH]c2ccccc12 c1ccc(cc1)O[*:1] C[C@@]12C(=O)N(CC(=O)N1CCc1c2[nH]c2ccccc12)/N=C\c1ccc(cc1)[*:1]
C[C@@]12C(=O)N(/N=C\c3ccc(Oc4ccccc4)cc3)CC(=O)N1CCc1c2[nH]c2ccccc12 c1ccc(cc1)[*:1] C[C@@]12C(=O)N(CC(=O)N1CCc1c2[nH]c2ccccc12)/N=C\c1ccc(cc1)O[*:1]
CC[C@H](C)[C@@H](C(=O)Nc1ccn(C)n1)N1C(=O)c2ccccc2C1=O Cn1ccc(n1)[*:1] CC[C@H](C)[C@@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CC[C@H](C)[C@@H](C(=O)Nc1ccn(C)n1)N1C(=O)c2ccccc2C1=O CC[C@H](C)[*:1] Cn1ccc(n1)NC(=O)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
Nc1nc(SCC(=O)c2ccc3c(c2)=[NH+]C(=O)[NH+]=3)n[nH]1 Nc1nc(n[nH]1)[*:1] O=C1[NH+]=c2ccc(cc2=[NH+]1)C(=O)CS[*:1]
C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCCSc3ccccc32)C1=O C1CC1[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCCSc3ccccc32)C1=O)[*:1]
C[C@@](O)(CNC(=O)c1ccccc1Nc1ccccc1)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@](O)(CNC(=O)c1ccccc1Nc1ccccc1)[*:1]
C[C@@](O)(CNC(=O)c1ccccc1Nc1ccccc1)CN1CCOCC1 c1ccc(cc1)N[*:1] C[C@@](O)(CNC(=O)c1ccccc1[*:1])CN1CCOCC1
C[C@@](O)(CNC(=O)c1ccccc1Nc1ccccc1)CN1CCOCC1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)c1ccccc1N[*:1])CN1CCOCC1
C[C@@](O)(CNC(=O)c1ccccc1Nc1ccccc1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@](O)(CNC(=O)c1ccccc1Nc1ccccc1)C[*:1]
Cc1cc([C@@H](C)NC(=O)N[C@H](C)CO)c(C)s1 C[C@H](CO)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)N[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)[*:1] CCCCNC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](C)N1CCN(CC1)[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)C1 CCCCNC(=O)[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)[*:1])N1CCN(CC1)c1ccc(F)cc1
CCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)C1 CCC[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1])N1CCN(CC1)c1ccc(F)cc1
CCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)C1 CCCC[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)C(=O)N[*:1])N1CCN(CC1)c1ccc(F)cc1
COc1ccc(Cl)cc1/C=C/C(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] COc1ccc(Cl)cc1/C=C/C(=O)N1CCC(CC1)[*:1]
O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 C1CCc2nnc(n2CC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(n[nH]1)-c1ccc(Cl)cc1
O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 Clc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1nnc2CCCCCn21)c1cc(n[nH]1)[*:1]
O=S(=O)(c1cccs1)N1CCC(n2cncn2)CC1 c1ncn(n1)[*:1] O=S(=O)(c1cccs1)N1CCC(CC1)[*:1]
O=S(=O)(c1cccs1)N1CCC(n2cncn2)CC1 c1csc(c1)[*:1] O=S(=O)(N1CCC(CC1)n1cncn1)[*:1]
CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCN(c3ncccn3)C2)c1C c1cnc(nc1)[*:1] CCn1nc(C)c(c1C)[C@H](C)[NH2+]C[C@H]1CCCN(C1)[*:1]
COCCOC(=O)c1cc(Cl)c(OC)c(Cl)c1 COCC[*:1] COc1c(Cl)cc(cc1Cl)C(=O)O[*:1]
COCCOC(=O)c1cc(Cl)c(OC)c(Cl)c1 COC[*:1] COc1c(Cl)cc(cc1Cl)C(=O)OC[*:1]
NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)COc2ccccc2)C1 c1cncc(c1)[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)COc1ccccc1)Cc1ccc(cc1)[*:1]
NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)OC[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)[*:1])Cc1ccc(cc1)-c1cccnc1
NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)O[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)C[*:1])Cc1ccc(cc1)-c1cccnc1
NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)CO[*:1])Cc1ccc(cc1)-c1cccnc1
NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)COc2ccccc2)C1 NC(=O)[*:1] O=C(COc1ccccc1)N1CCC[C@@](Cc2ccc(cc2)-c2cccnc2)(C1)[*:1]
Cc1cc(OCCCN2CC[NH+](C)CC2)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCCCN1CC[NH+](C)CC1
N#CCc1ccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)cc1 c1csc(c1)[*:1] N#CCc1ccc(cc1)NC(=O)CCc1nc2cccnc2n1C[*:1]
N#CCc1ccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)cc1 N#CCc1ccc(cc1)[*:1] O=C(CCc1nc2cccnc2n1Cc1cccs1)N[*:1]
N#CCc1ccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)cc1 N#CC[*:1] O=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1ccc(cc1)[*:1]
N#CCc1ccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)cc1 c1csc(c1)C[*:1] N#CCc1ccc(cc1)NC(=O)CCc1nc2cccnc2n1[*:1]
CCOc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH+](C)C CCO[*:1] C[NH+](C)C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2cccc(-n3ccnn3)c2)cc1 c1cn(nn1)[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)c1cccc(c1)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2cccc(-n3ccnn3)c2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cccc(c1)-n1ccnn1)[C@@H](O)[*:1]
COc1ccccc1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1OCC(=O)NC1CC[NH+](CC1)C[*:1]
COc1ccccc1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccccc1OCC(=O)NC1CC[NH+](CC1)[*:1]
COc1ccccc1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 COc1ccccc1[*:1] O=C(CO[*:1])NC1CC[NH+](CC1)Cc1ccccc1
NC(=O)c1ccccc1NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 NC(=O)c1ccccc1[*:1] O=C(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)N[*:1]
NC(=O)c1ccccc1NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 NC(=O)[*:1] O=C(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)Nc1ccccc1[*:1]
NC(=O)c1ccccc1NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 c1ccc(cc1)[*:1] NC(=O)c1ccccc1NC(=O)COc1ccc2c(cc(=O)oc2c1)[*:1]
COCCc1noc(-c2sc(Cc3ccccc3)nc2C)n1 c1ccc(cc1)[*:1] COCCc1noc(n1)-c1sc(C[*:1])nc1C
COCCc1noc(-c2sc(Cc3ccccc3)nc2C)n1 COCC[*:1] Cc1nc(Cc2ccccc2)sc1-c1nc(no1)[*:1]
COCCc1noc(-c2sc(Cc3ccccc3)nc2C)n1 c1ccc(cc1)C[*:1] COCCc1noc(n1)-c1sc(nc1C)[*:1]
COCCc1noc(-c2sc(Cc3ccccc3)nc2C)n1 COC[*:1] Cc1nc(Cc2ccccc2)sc1-c1nc(C[*:1])no1
Cn1cnc2cc(-c3noc(-c4ccc(Br)o4)n3)ccc21 Brc1ccc(o1)[*:1] Cn1cnc2cc(ccc21)-c1noc(n1)[*:1]
O=C1[C@@H]2COC[C@H]1[C@@H](c1ccccc1Cl)N[C@H]2c1ccccc1Cl Clc1ccccc1[*:1] O=C1[C@@H]2COC[C@H]1[C@@H](N[C@H]2c1ccccc1Cl)[*:1]
CCC(CC)N(CC(C)C)C(=O)N[C@H](C)C(=O)[O-] O=C([O-])[*:1] CCC(CC)N(CC(C)C)C(=O)N[C@H](C)[*:1]
CCC(CC)N(CC(C)C)C(=O)N[C@H](C)C(=O)[O-] CC(C)[*:1] CCC(CC)N(C[*:1])C(=O)N[C@H](C)C(=O)[O-]
CCC(CC)N(CC(C)C)C(=O)N[C@H](C)C(=O)[O-] CC(C)C[*:1] CCC(CC)N(C(=O)N[C@H](C)C(=O)[O-])[*:1]
CCC(CC)N(CC(C)C)C(=O)N[C@H](C)C(=O)[O-] CCC(CC)[*:1] CC(C)CN(C(=O)N[C@H](C)C(=O)[O-])[*:1]
Cc1ccc(NC(=O)CCn2cnc3oc(C)c(C)c3c2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1oc2ncn(CCC(=O)N[*:1])c(=O)c2c1C
N#Cc1cccc(NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 N#Cc1cccc(c1)[*:1] O=C(NCc1nc(n[nH]1)-c1ccc(F)cc1)N[*:1]
N#Cc1cccc(NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 Fc1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)NCc1nc(n[nH]1)[*:1]
Cc1cc2n(n1)CCC(=O)N2[C@H](C)C(=O)Nc1cc(Cl)ccc1C Cc1ccc(Cl)cc1[*:1] Cc1cc2N(C(=O)CCn2n1)[C@H](C)C(=O)N[*:1]
CCN(C(=O)C[NH2+][C@](C)(CC)C(=O)[O-])C1CC1 C1CC1[*:1] CCN(C(=O)C[NH2+][C@](C)(CC)C(=O)[O-])[*:1]
CCN(C(=O)C[NH2+][C@](C)(CC)C(=O)[O-])C1CC1 O=C([O-])[*:1] CCN(C(=O)C[NH2+][C@](C)(CC)[*:1])C1CC1
CN(Cc1cccs1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cccs1)C(=O)c1cc(nn1[*:1])C1CC1
CN(Cc1cccs1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 c1csc(c1)[*:1] CN(C[*:1])C(=O)c1cc(nn1-c1ccccc1)C1CC1
CN(Cc1cccs1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 c1csc(c1)C[*:1] CN(C(=O)c1cc(nn1-c1ccccc1)C1CC1)[*:1]
CN(Cc1cccs1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 C1CC1[*:1] CN(Cc1cccs1)C(=O)c1cc(nn1-c1ccccc1)[*:1]
Cc1cc(NC(=O)C[NH+](CC2CC[NH2+]CC2)C(C)C)on1 CC(C)[*:1] Cc1cc(NC(=O)C[NH+](CC2CC[NH2+]CC2)[*:1])on1
Cc1cc(NC(=O)C[NH+](CC2CC[NH2+]CC2)C(C)C)on1 Cc1cc(on1)[*:1] CC(C)[NH+](CC(=O)N[*:1])CC1CC[NH2+]CC1
CCCN1CCO[C@H](c2nc(CC)cc(NN)n2)C1 CCC[*:1] CCc1cc(nc(n1)[C@@H]1CN(CCO1)[*:1])NN
Cc1ccc(N(CCC#N)C(=O)COc2ccc(F)cc2F)cc1C N#CCC[*:1] Cc1ccc(cc1C)N(C(=O)COc1ccc(F)cc1F)[*:1]
Cc1ccc(N(CCC#N)C(=O)COc2ccc(F)cc2F)cc1C Cc1ccc(cc1C)[*:1] N#CCCN(C(=O)COc1ccc(F)cc1F)[*:1]
Cc1ccc(N(CCC#N)C(=O)COc2ccc(F)cc2F)cc1C N#CC[*:1] Cc1ccc(cc1C)N(C[*:1])C(=O)COc1ccc(F)cc1F
Cc1ccc(N(CCC#N)C(=O)COc2ccc(F)cc2F)cc1C Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1C)N(CCC#N)C(=O)CO[*:1]
COc1ccc(C[C@]2(C(=O)[O-])CCC[C@@H](C)C2)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)C[C@@]1(CCC[C@@H](C)C1)[*:1]
Cc1ccc2ncc(C(=O)N3CCCCC[C@@H]3c3cccn3C)c(=O)n2c1 Cn1cccc1[*:1] Cc1ccc2ncc(C(=O)N3CCCCC[C@H]3[*:1])c(=O)n2c1
CCc1n[nH]c(C(=O)N(C)[C@H]2COC[C@H]2C(=O)[O-])n1 O=C([O-])[*:1] CCc1n[nH]c(n1)C(=O)N(C)[C@H]1COC[C@@H]1[*:1]
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2C[C@@H]2CCCO2)c1 COc1ccc(OC)c(c1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1[*:1]
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] COc1ccc(OC)c(c1)[C@H]1C(C(=O)c2ccc3O[C@H](C)Cc3c2)=C([O-])C(=O)N1[*:1]
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2C[C@@H]2CCCO2)c1 C[C@@H]1Cc2cc(ccc2O1)[*:1] COc1ccc(OC)c(c1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C[C@@H]1CCCO1
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] COc1ccc(OC)c(c1)[C@H]1C(C(=O)c2ccc3O[C@H](C)Cc3c2)=C([O-])C(=O)N1C[*:1]
CCOCCN(C)C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 CCOC[*:1] Cc1cc(ccc1Cl)O[C@H](C)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 CCOCC[*:1] Cc1cc(ccc1Cl)O[C@H](C)C(=O)N(C)[*:1]
CCOCCN(C)C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 CCO[*:1] Cc1cc(ccc1Cl)O[C@H](C)C(=O)N(C)CC[*:1]
COc1ccccc1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2c(c1=O)SCC2 COc1ccccc1[*:1] O=C(CSc1nc2CCSc2c(=O)n1[*:1])Nc1ccc(cc1)[N+](=O)[O-]
COc1ccccc1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2c(c1=O)SCC2 O=[N+]([O-])[*:1] COc1ccccc1-n1c(nc2CCSc2c1=O)SCC(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2c(c1=O)SCC2 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccccc1-n1c(nc2CCSc2c1=O)SCC(=O)N[*:1]
Cn1c(COC(=O)[C@@H]2C[C@@H]2c2ccccc2F)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(COC(=O)[C@@H]2C[C@@H]2c2ccccc2F)nnc1[*:1]
Cn1c(COC(=O)[C@@H]2C[C@@H]2c2ccccc2F)nnc1-c1ccccc1 Fc1ccccc1[*:1] Cn1c(COC(=O)[C@@H]2C[C@H]2[*:1])nnc1-c1ccccc1
O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1c[nH]c2cccc(F)c12 c1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])c1c[nH]c2cccc(F)c12
CCOC(=O)Cn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cccc(F)c21 CCOC(=O)C[*:1] CS(=O)(=O)N1CCC[C@@H](C1)C(=O)/N=c1\sc2cccc(F)c2n1[*:1]
CCOC(=O)Cn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cccc(F)c21 CCOC(=O)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)C(=O)/N=c1\sc2cccc(F)c2n1C[*:1]
CCOc1cc(NC(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)ccc1C CCO[*:1] Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)Nc1ccc(C)c(c1)[*:1]
CCOc1cc(NC(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)ccc1C Cc1ccc(nc1)[*:1] CCOc1cc(ccc1C)NC(=O)N1CCC(CC1)C(=O)N[*:1]
CN(Cc1ccc(F)cc1)C(=O)CSc1nnc(N)[nH]1 Nc1nnc([nH]1)[*:1] CN(Cc1ccc(F)cc1)C(=O)CS[*:1]
COc1ccc(C[C@H](C)CNC(=O)Nc2ccnc(C(=O)N(C)C)c2)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)C[C@H](C)CNC(=O)Nc1ccnc(c1)[*:1]
COc1ccc(C[C@H](C)CNC(=O)Nc2ccnc(C(=O)N(C)C)c2)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)Nc1ccnc(c1)C(=O)N(C)C)C[*:1]
COc1ccc(C[C@H](C)CNC(=O)Nc2ccnc(C(=O)N(C)C)c2)cc1 COc1ccc(cc1)C[*:1] C[C@H](CNC(=O)Nc1ccnc(c1)C(=O)N(C)C)[*:1]
Cc1ccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N2CCCC[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)Cn1c(CCNC(=O)[*:1])nc2ccccc21
Cc1ccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N2CCCC[C@@H]2C)cc1 Cc1ccc(cc1)C(=O)N[*:1] C[C@H]1CCCCN1C(=O)Cn1c(CC[*:1])nc2ccccc21
c1cc(-c2cscn2)cc(N2CCC([NH2+]CCc3cccs3)CC2)c1 c1csc(c1)C[*:1] c1cc(cc(c1)N1CCC(CC1)[NH2+]C[*:1])-c1cscn1
c1cc(-c2cscn2)cc(N2CCC([NH2+]CCc3cccs3)CC2)c1 c1csc(c1)[*:1] c1cc(cc(c1)N1CCC(CC1)[NH2+]CC[*:1])-c1cscn1
c1cc(-c2cscn2)cc(N2CCC([NH2+]CCc3cccs3)CC2)c1 c1csc(c1)CC[*:1] c1cc(cc(c1)N1CCC(CC1)[NH2+][*:1])-c1cscn1
c1cc(-c2cscn2)cc(N2CCC([NH2+]CCc3cccs3)CC2)c1 c1nc(cs1)[*:1] c1cc(cc(c1)[*:1])N1CCC(CC1)[NH2+]CCc1cccs1
CCn1cc(-n2cc([N+](=O)[O-])cn2)cn1 O=[N+]([O-])[*:1] CCn1cc(cn1)-n1cc(cn1)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(ccc1Cl)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])N/N=C/c1cc(ccc1Cl)[N+](=O)[O-]
CCOc1ccccc1NC(=O)c1cnc2ncnn2c1C CCO[*:1] Cc1c(cnc2ncnn12)C(=O)Nc1ccccc1[*:1]
COCC[NH2+]Cc1cn([C@@H](C)[C@H](C)O)nn1 C[C@H](O)[*:1] COCC[NH2+]Cc1cn(nn1)[C@@H](C)[*:1]
COCC[NH2+]Cc1cn([C@@H](C)[C@H](C)O)nn1 COCC[*:1] C[C@H](O)[C@H](C)n1cc(C[NH2+][*:1])nn1
COCC[NH2+]Cc1cn([C@@H](C)[C@H](C)O)nn1 COC[*:1] C[C@H](O)[C@H](C)n1cc(C[NH2+]C[*:1])nn1
COCC[NH2+]Cc1cn([C@@H](C)[C@H](C)O)nn1 C[C@H](O)[C@H](C)[*:1] COCC[NH2+]Cc1cn(nn1)[*:1]
Cc1csc(CCNCc2ccsc2)n1 c1cc(cs1)[*:1] Cc1csc(CCNC[*:1])n1
O=C(Nc1cccc2cccnc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1cccc2cccnc12)c1ccc(o1)[*:1]
O=C(Nc1cccc2cccnc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] O=C(Nc1cccc2cccnc12)c1ccc(o1)-c1cccc(c1)[*:1]
CCc1ccc(NC(=O)c2c(N)c(C(=O)c3cccc([N+](=O)[O-])c3)n3ccccc23)cc1 CCc1ccc(cc1)[*:1] Nc1c(C(=O)N[*:1])c2ccccn2c1C(=O)c1cccc(c1)[N+](=O)[O-]
CCc1ccc(NC(=O)c2c(N)c(C(=O)c3cccc([N+](=O)[O-])c3)n3ccccc23)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)NC(=O)c1c(N)c(C(=O)c2cccc(c2)[*:1])n2ccccc12
CCc1ccc(NC(=O)c2c(N)c(C(=O)c3cccc([N+](=O)[O-])c3)n3ccccc23)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CCc1ccc(cc1)NC(=O)c1c(N)c(C(=O)[*:1])n2ccccc12
O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1 Clc1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])Nc1ccccc1N1CCCC1
O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1ccccc1[*:1]
CCNc1nnc(SCc2nccn2C(F)F)s1 CCN[*:1] FC(F)n1ccnc1CSc1nnc(s1)[*:1]
CCNc1nnc(SCc2nccn2C(F)F)s1 FC(F)[*:1] CCNc1nnc(SCc2nccn2[*:1])s1
Cc1c(F)cc(N)cc1S(=O)(=O)NC[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)NC[*:1]
CCCNC(=O)c1ccc(N(Cc2ccccc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 CCCNC(=O)[*:1] O=S1(=O)C[C@H]2SC(=N[C@@H]2C1)N(Cc1ccccc1Cl)c1ccc(cc1)[*:1]
CCCNC(=O)c1ccc(N(Cc2ccccc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 Clc1ccccc1[*:1] CCCNC(=O)c1ccc(cc1)N(C[*:1])C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1
CCCNC(=O)c1ccc(N(Cc2ccccc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 CCC[*:1] O=C(N[*:1])c1ccc(cc1)N(Cc1ccccc1Cl)C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1
CCCNC(=O)c1ccc(N(Cc2ccccc2Cl)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 Clc1ccccc1C[*:1] CCCNC(=O)c1ccc(cc1)N(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cn1ccc2ccccc21 Clc1ccc(cc1)O[*:1] C[C@@H](C(=O)NNC(=O)Cn1ccc2ccccc21)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cn1ccc2ccccc21 Clc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)Cn1ccc2ccccc21
CCOc1ccc(CSC2=[NH+]CCN2)cc1[N+](=O)[O-] CCO[*:1] O=[N+]([O-])c1cc(ccc1[*:1])CSC1NCC[NH+]=1
CCOc1ccc(CSC2=[NH+]CCN2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])CSC1NCC[NH+]=1
O=S1(=O)[C@H]2C(c3ccccc3)=NO[C@H]2[C@@H]2ON=C(c3ccccc3)[C@@H]21 c1ccc(cc1)[*:1] O=S1(=O)[C@H]2C(=NO[C@H]2[C@@H]2ON=C([C@@H]21)[*:1])c1ccccc1
COCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C2CC2)CC1 C1CC1[*:1] COCC(=O)N1CCC(CC1)c1nnc(Cn2cncn2)n1[*:1]
COCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C2CC2)CC1 COC[*:1] O=C(N1CCC(CC1)c1nnc(Cn2cncn2)n1C1CC1)[*:1]
COCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C2CC2)CC1 c1ncn(n1)[*:1] COCC(=O)N1CCC(CC1)c1nnc(C[*:1])n1C1CC1
COCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C2CC2)CC1 c1ncn(C[*:1])n1 COCC(=O)N1CCC(CC1)c1nnc(n1C1CC1)[*:1]
Cc1ccc(OCc2ccc(C(=O)N3CCC[NH+](C(C)C)CC3)o2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)c1ccc(CO[*:1])o1
Cc1ccc(OCc2ccc(C(=O)N3CCC[NH+](C(C)C)CC3)o2)c(C)c1 Cc1ccc(O[*:1])c(C)c1 CC(C)[NH+]1CCCN(CC1)C(=O)c1ccc(C[*:1])o1
Cc1ccc(OCc2ccc(C(=O)N3CCC[NH+](C(C)C)CC3)o2)c(C)c1 CC(C)[*:1] Cc1ccc(OCc2ccc(o2)C(=O)N2CCC[NH+](CC2)[*:1])c(C)c1
Cc1nc2ccc(S(=O)(=O)N(CC(=O)NC3CCCCC3)Cc3ccccc3)cc2s1 O=C(NC1CCCCC1)[*:1] Cc1nc2ccc(cc2s1)S(=O)(=O)N(Cc1ccccc1)C[*:1]
Cc1nc2ccc(S(=O)(=O)N(CC(=O)NC3CCCCC3)Cc3ccccc3)cc2s1 C1CCC(CC1)[*:1] Cc1nc2ccc(cc2s1)S(=O)(=O)N(CC(=O)N[*:1])Cc1ccccc1
Cc1nc2ccc(S(=O)(=O)N(CC(=O)NC3CCCCC3)Cc3ccccc3)cc2s1 Cc1nc2ccc(cc2s1)[*:1] O=C(CN(Cc1ccccc1)S(=O)(=O)[*:1])NC1CCCCC1
Cc1nc2ccc(S(=O)(=O)N(CC(=O)NC3CCCCC3)Cc3ccccc3)cc2s1 c1ccc(cc1)C[*:1] Cc1nc2ccc(cc2s1)S(=O)(=O)N(CC(=O)NC1CCCCC1)[*:1]
Cc1nc2ccc(S(=O)(=O)N(CC(=O)NC3CCCCC3)Cc3ccccc3)cc2s1 O=C(C[*:1])NC1CCCCC1 Cc1nc2ccc(cc2s1)S(=O)(=O)N(Cc1ccccc1)[*:1]
Cc1nc2ccc(S(=O)(=O)N(CC(=O)NC3CCCCC3)Cc3ccccc3)cc2s1 c1ccc(cc1)[*:1] Cc1nc2ccc(cc2s1)S(=O)(=O)N(CC(=O)NC1CCCCC1)C[*:1]
Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1C O=C([O-])CC[*:1] Cc1ccc(cc1C)Oc1ccc(cc1)NC(=O)C[*:1]
Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1C O=C([O-])C[*:1] Cc1ccc(cc1C)Oc1ccc(cc1)NC(=O)CC[*:1]
Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1C Cc1ccc(cc1C)[*:1] O=C([O-])CCCC(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1C O=C([O-])[*:1] Cc1ccc(cc1C)Oc1ccc(cc1)NC(=O)CCC[*:1]
Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1C O=C([O-])CCC[*:1] Cc1ccc(cc1C)Oc1ccc(cc1)NC(=O)[*:1]
NC(=O)c1cccc(-c2ccc(C3CCN(C(=O)COc4ccccc4)CC3)nc2)c1 NC(=O)[*:1] O=C(COc1ccccc1)N1CCC(CC1)c1ccc(cn1)-c1cccc(c1)[*:1]
NC(=O)c1cccc(-c2ccc(C3CCN(C(=O)COc4ccccc4)CC3)nc2)c1 NC(=O)c1cccc(c1)[*:1] O=C(COc1ccccc1)N1CCC(CC1)c1ccc(cn1)[*:1]
NC(=O)c1cccc(-c2ccc(C3CCN(C(=O)COc4ccccc4)CC3)nc2)c1 c1ccc(cc1)[*:1] NC(=O)c1cccc(c1)-c1ccc(nc1)C1CCN(CC1)C(=O)CO[*:1]
NC(=O)c1cccc(-c2ccc(C3CCN(C(=O)COc4ccccc4)CC3)nc2)c1 c1ccc(cc1)O[*:1] NC(=O)c1cccc(c1)-c1ccc(nc1)C1CCN(CC1)C(=O)C[*:1]
NC(=O)c1cccc(-c2ccc(C3CCN(C(=O)COc4ccccc4)CC3)nc2)c1 c1ccc(cc1)OC[*:1] NC(=O)c1cccc(c1)-c1ccc(nc1)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(SCCNC(=O)C[NH+](C)C2CCS(=O)(=O)CC2)cc1 Cc1ccc(cc1)S[*:1] C[NH+](CC(=O)NCC[*:1])C1CCS(=O)(=O)CC1
Cc1ccc(SCCNC(=O)C[NH+](C)C2CCS(=O)(=O)CC2)cc1 Cc1ccc(cc1)[*:1] C[NH+](CC(=O)NCCS[*:1])C1CCS(=O)(=O)CC1
CC(C)(C)C(=O)Nc1cccc(F)c1C#N CC(C)(C)[*:1] N#Cc1c(F)cccc1NC(=O)[*:1]
CC(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccccc2N2CCCCC2)c1 CC(=O)[*:1] C[NH+](CC(=O)Nc1cccc(c1)[*:1])Cc1ccccc1N1CCCCC1
CC(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccccc2N2CCCCC2)c1 CC(=O)c1cccc(c1)[*:1] C[NH+](CC(=O)N[*:1])Cc1ccccc1N1CCCCC1
CC(=O)c1cccc(NC(=O)C[NH+](C)Cc2ccccc2N2CCCCC2)c1 C1CCN(CC1)[*:1] CC(=O)c1cccc(c1)NC(=O)C[NH+](C)Cc1ccccc1[*:1]
CN(C)c1ncccc1N(C)C(=O)[C@@H]1CC=CCC1 CN(C)[*:1] CN(C(=O)[C@@H]1CC=CCC1)c1cccnc1[*:1]
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@](CO)(CCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCC[C@@](CO)(CC[*:1])C1
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@](CO)(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCC[C@](CO)(C1)C[*:1]
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@](CO)(CCc2ccccc2)C1 FC(F)(F)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@@](CO)(CCc2ccccc2)C1
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@](CO)(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCC[C@@](CO)(C1)[*:1]
O=C(Nc1ccccc1)c1ccc(NCC[NH+]2CCCCCC2)nn1 c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(nn1)NCC[NH+]1CCCCCC1
C[NH+](Cc1ccc(Br)cc1)Cc1nnc(-c2cccs2)o1 c1csc(c1)[*:1] C[NH+](Cc1ccc(Br)cc1)Cc1nnc(o1)[*:1]
C[NH+](Cc1ccc(Br)cc1)Cc1nnc(-c2cccs2)o1 Brc1ccc(cc1)[*:1] C[NH+](Cc1nnc(o1)-c1cccs1)C[*:1]
Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)c2ncoc2C)C1 Cc1ocnc1[*:1] Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)c2ncoc2C)C1 Cc1cc(F)ccc1[*:1] Cc1ocnc1C(=O)N1CCC[C@@H](CCC(=O)N[*:1])C1
C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] C[C@H]1CN(C(=O)c2cn(C)nc2[*:1])c2ccccc21
Cc1nn([C@H]2CCC[C@@]([NH2+]C3CC3)(C(N)=O)C2)cc1Cl NC(=O)[*:1] Cc1nn(cc1Cl)[C@H]1CCC[C@](C1)([NH2+]C1CC1)[*:1]
Cc1nn([C@H]2CCC[C@@]([NH2+]C3CC3)(C(N)=O)C2)cc1Cl C1CC1[*:1] Cc1nn(cc1Cl)[C@H]1CCC[C@@](C1)([NH2+][*:1])C(N)=O
Cn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccc(Cl)cc1 CC(C)(C)[*:1] Cn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)NC(=O)N[*:1]
Cn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)NC(=O)NC(C)(C)C
CC(C)c1ccc2c(c1)C(=O)Cc1cc(N)ccc1S2 CC(C)[*:1] Nc1ccc2Sc3ccc(cc3C(=O)Cc2c1)[*:1]
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 CS(=O)(=O)[*:1] Cc1cc(C)cc(c1)[N-]S(=O)(=O)c1cc(ccc1Cl)[*:1]
O=C([O-])CCC/[NH+]=C1/CCCc2ccccc2N1 O=C([O-])C[*:1] c1ccc2N/C(CCCc2c1)=[NH+]\CC[*:1]
O=C([O-])CCC/[NH+]=C1/CCCc2ccccc2N1 O=C([O-])[*:1] c1ccc2N/C(CCCc2c1)=[NH+]\CCC[*:1]
O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=S(=O)(NC[C@@H]1CN(CCO1)C1CC1)c1ccc(cc1)[*:1]
O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccc(-c2ccccc2)cc1 C1CC1[*:1] O=S(=O)(NC[C@@H]1CN(CCO1)[*:1])c1ccc(cc1)-c1ccccc1
CCn1cc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccco2)cn1 CCn1cc(cn1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)NCc1ccco1
CCn1cc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccco2)cn1 c1coc(c1)C[*:1] CCn1cc(cn1)S(=O)(=O)N[C@H](C)C(=O)N[*:1]
CCn1cc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccco2)cn1 c1coc(c1)[*:1] CCn1cc(cn1)S(=O)(=O)N[C@H](C)C(=O)NC[*:1]
COC(=O)c1c(SCC(=O)NCc2ccc(Cl)cc2)nc(=O)[nH]c1C Clc1ccc(cc1)[*:1] COC(=O)c1c(nc(=O)[nH]c1C)SCC(=O)NC[*:1]
COC(=O)c1c(SCC(=O)NCc2ccc(Cl)cc2)nc(=O)[nH]c1C COC(=O)[*:1] Cc1[nH]c(=O)nc(SCC(=O)NCc2ccc(Cl)cc2)c1[*:1]
COC(=O)c1c(SCC(=O)NCc2ccc(Cl)cc2)nc(=O)[nH]c1C Clc1ccc(cc1)C[*:1] COC(=O)c1c(nc(=O)[nH]c1C)SCC(=O)N[*:1]
CCOc1ccccc1/C=N/NC(=S)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOc1ccccc1/C=N/NC(=S)N[*:1]
CCOc1ccccc1/C=N/NC(=S)Nc1ccc(F)cc1 CCO[*:1] Fc1ccc(cc1)NC(=S)N/N=C/c1ccccc1[*:1]
Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)n1 Cc1csc(n1)NC(=O)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)N1C[C@H](CC1=O)[*:1]
Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)n1 CN(C)S(=O)(=O)[*:1] Cc1csc(n1)NC(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)n1 Cc1csc(n1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
CCOc1cc([C@@H]2CC(=O)NC3=NC(SC)=NC(=O)[C@H]32)ccc1OCC(N)=O NC(=O)CO[*:1] CCOc1cc(ccc1[*:1])[C@@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)SC
CCOc1cc([C@@H]2CC(=O)NC3=NC(SC)=NC(=O)[C@H]32)ccc1OCC(N)=O NC(=O)[*:1] CCOc1cc(ccc1OC[*:1])[C@@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)SC
CCOc1cc([C@@H]2CC(=O)NC3=NC(SC)=NC(=O)[C@H]32)ccc1OCC(N)=O CCO[*:1] CSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@H]2c1ccc(OCC(N)=O)c(c1)[*:1]
CCOc1cc([C@@H]2CC(=O)NC3=NC(SC)=NC(=O)[C@H]32)ccc1OCC(N)=O NC(=O)C[*:1] CCOc1cc(ccc1O[*:1])[C@@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)SC
O=C(CSc1nncn1-c1ccccc1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 c1ccc(cc1)[*:1] O=C(CSc1nncn1[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1\CCCCCN1
O=C(CSc1nncn1-c1ccccc1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 c1ccc(cc1)-n1cnnc1[*:1] O=C(CS[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1\CCCCCN1
Cc1c([C@H]2[C@@H]([NH3+])CC(=O)N2C2CC2)cnn1C C1CC1[*:1] Cc1c(cnn1C)[C@H]1[C@@H]([NH3+])CC(=O)N1[*:1]
Cc1ccc(CN2CCN(CCS(N)(=O)=O)CC2)cc1F NS(=O)(=O)C[*:1] Cc1ccc(cc1F)CN1CCN(CC1)C[*:1]
Cc1ccc(CN2CCN(CCS(N)(=O)=O)CC2)cc1F NS(=O)(=O)CC[*:1] Cc1ccc(cc1F)CN1CCN(CC1)[*:1]
Cc1ccc(CN2CCN(CCS(N)(=O)=O)CC2)cc1F NS(=O)(=O)[*:1] Cc1ccc(cc1F)CN1CCN(CC1)CC[*:1]
CONC(=O)CSc1nccn1-c1cccc(Cl)c1C CONC(=O)[*:1] Cc1c(Cl)cccc1-n1ccnc1SC[*:1]
CONC(=O)CSc1nccn1-c1cccc(Cl)c1C CONC(=O)C[*:1] Cc1c(Cl)cccc1-n1ccnc1S[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2c(F)cccc2Oc2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)C(=O)Nc1c(F)cccc1O[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2c(F)cccc2Oc2ccccc2)C1 c1ccc(cc1)O[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)C(=O)Nc1c(F)cccc1[*:1]
CC(=O)NC[C@H](OC(=O)C1C[C@H](C)O[C@@H](C)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)NC[C@H](OC(=O)C1C[C@H](C)O[C@@H](C)C1)[*:1]
CC(=O)NC[C@H](OC(=O)C1C[C@H](C)O[C@@H](C)C1)c1ccccc1 CC(=O)N[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)O[C@@H](C[*:1])c1ccccc1
CC(=O)NC[C@H](OC(=O)C1C[C@H](C)O[C@@H](C)C1)c1ccccc1 CC(=O)NC[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)O[C@H](c1ccccc1)[*:1]
COCCc1nnc(SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)n1N COC[*:1] Nn1c(C[*:1])nnc1SCC(=O)N1CCC[C@H]2CCCC[C@@H]21
COCCc1nnc(SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)n1N COCC[*:1] Nn1c(nnc1[*:1])SCC(=O)N1CCC[C@H]2CCCC[C@@H]21
Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)NC(=O)CSc1nc2ccsc2c(=O)n1C[*:1]
Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nc2ccsc2c(=O)n1Cc1ccco1)N[*:1]
Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)NC(=O)CSc1nc2ccsc2c(=O)n1[*:1]
CCN(C(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1CC)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1CC)[*:1]
CO[C@H](C)C(=O)N(CCc1cccc(F)c1)C1CC1 CO[C@H](C)[*:1] O=C(N(CCc1cccc(F)c1)C1CC1)[*:1]
CO[C@H](C)C(=O)N(CCc1cccc(F)c1)C1CC1 C1CC1[*:1] CO[C@H](C)C(=O)N(CCc1cccc(F)c1)[*:1]
Cc1ccccc1C(=O)Nc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] Cc1ccccc1C(=O)Nc1ncc(cc1Cl)[*:1]
Cc1ccccc1C(=O)Nc1ncc(C(F)(F)F)cc1Cl Cc1ccccc1[*:1] O=C(Nc1ncc(cc1Cl)C(F)(F)F)[*:1]
C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(N)=O NC(=O)[*:1] C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)[*:1]
C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(N)=O C[C@H](C(N)=O)[*:1] C1CCC2(CC1)C[C@@H](CCO2)[NH2+][*:1]
Brc1ccc(SCc2nc(-c3ccsc3)no2)cc1 c1cc(cs1)[*:1] Brc1ccc(cc1)SCc1nc(no1)[*:1]
O=C(/C=C/C1CCOCC1)N1CCc2cc(Br)sc2C1 C1CC(CCO1)[*:1] O=C(C=C[*:1])N1CCc2cc(Br)sc2C1
COc1cccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)c1O Fc1cccc(F)c1[*:1] COc1cccc(C(=O)N[C@H]2CCN(C2)[*:1])c1O
N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1Cl c1ccc(cc1)[*:1] N#Cc1ccc(cc1Cl)S(=O)(=O)N[C@H]1CCN(C1=O)[*:1]
CCOC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 c1ccc(cc1)[*:1] CCOC(=O)[C@@]1(N[C@@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@H]21)c1ccc2OCOc2c1)[*:1]
CCOC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 CCOC(=O)[*:1] Cc1ccccc1[C@@H]1N[C@@](c2ccccc2)([C@@H]2C(=O)N(C(=O)[C@H]12)c1ccc2OCOc2c1)[*:1]
CCOC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 Cc1ccccc1[*:1] CCOC(=O)[C@@]1(N[C@@H]([C@H]2C(=O)N(C(=O)[C@H]21)c1ccc2OCOc2c1)[*:1])c1ccccc1
CCOC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 c1cc2OCOc2cc1[*:1] CCOC(=O)[C@@]1(N[C@@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@H]21)[*:1])c1ccccc1
Cn1ncc2c(NCc3ccccc3)nc(N3CCC([NH+]4CCCCC4)CC3)nc21 c1ccc(cc1)[*:1] Cn1ncc2c(nc(nc21)N1CCC(CC1)[NH+]1CCCCC1)NC[*:1]
Cn1ncc2c(NCc3ccccc3)nc(N3CCC([NH+]4CCCCC4)CC3)nc21 c1ccc(cc1)CN[*:1] Cn1ncc2c(nc(nc21)N1CCC(CC1)[NH+]1CCCCC1)[*:1]
Cn1ncc2c(NCc3ccccc3)nc(N3CCC([NH+]4CCCCC4)CC3)nc21 c1ccc(cc1)C[*:1] Cn1ncc2c(nc(nc21)N1CCC(CC1)[NH+]1CCCCC1)N[*:1]
C[C@H]1Cc2ccc(CNC(=O)CSCc3ccc(F)cc3)cc2N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1Cc2ccc(cc2N1C(=O)[*:1])CNC(=O)CSCc1ccc(F)cc1
C[C@H]1Cc2ccc(CNC(=O)CSCc3ccc(F)cc3)cc2N1C(=O)c1ccccc1 Fc1ccc(cc1)[*:1] C[C@H]1Cc2ccc(cc2N1C(=O)c1ccccc1)CNC(=O)CSC[*:1]
C[C@H]1Cc2ccc(CNC(=O)CSCc3ccc(F)cc3)cc2N1C(=O)c1ccccc1 Fc1ccc(cc1)CSC[*:1] C[C@H]1Cc2ccc(cc2N1C(=O)c1ccccc1)CNC(=O)[*:1]
C[C@H]1Cc2ccc(CNC(=O)CSCc3ccc(F)cc3)cc2N1C(=O)c1ccccc1 Fc1ccc(cc1)C[*:1] C[C@H]1Cc2ccc(cc2N1C(=O)c1ccccc1)CNC(=O)CS[*:1]
C[C@H]1Cc2ccc(CNC(=O)CSCc3ccc(F)cc3)cc2N1C(=O)c1ccccc1 Fc1ccc(cc1)CS[*:1] C[C@H]1Cc2ccc(cc2N1C(=O)c1ccccc1)CNC(=O)C[*:1]
COC(=O)[C@@H](C)[C@H](C)[NH2+]C[C@](C)(O)CO C[C@](O)(CO)[*:1] COC(=O)[C@@H](C)[C@H](C)[NH2+]C[*:1]
COC(=O)[C@@H](C)[C@H](C)[NH2+]C[C@](C)(O)CO COC(=O)[*:1] C[C@H]([NH2+]C[C@](C)(O)CO)[C@H](C)[*:1]
Cc1cccc(C)c1NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 Cc1cccc(C)c1[*:1] O=C(NCCN1CCN(CC1)C(=O)N[*:1])c1ccccc1F
Cc1cccc(C)c1NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)N1CCN(CCNC(=O)[*:1])CC1
COc1ccc(C(=O)CSc2nncn2-c2cccc(Cl)c2)cc1OC Clc1cccc(c1)[*:1] COc1ccc(cc1OC)C(=O)CSc1nncn1[*:1]
CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 C1CCC(CC1)[*:1] CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(cc21)C(=O)N[*:1]
CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 CCOC(=O)[*:1] CC1(C)Oc2ccc(cc2N(C[*:1])C1=O)C(=O)NC1CCCCC1
CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 CCOC(=O)C[*:1] CC1(C)Oc2ccc(cc2N(C1=O)[*:1])C(=O)NC1CCCCC1
CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 O=C(NC1CCCCC1)[*:1] CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(cc21)[*:1]
Cc1cc(=O)[nH]c(SCC[C@H](C)CCS)n1 C[C@H](CCS)[*:1] Cc1cc(=O)[nH]c(n1)SCC[*:1]
Cc1cc(=O)[nH]c(SCC[C@H](C)CCS)n1 SCC[*:1] Cc1cc(=O)[nH]c(n1)SCC[C@H](C)[*:1]
O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(c2cnccn2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1C(=O)[*:1])N1CCN(CC1)c1cnccn1
O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(CC1)[*:1]
O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(c2cnccn2)CC1 O=C(c1ccccc1)[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)c1cnccn1
CCOc1ccc(NC(=S)c2c(N)nc(N3CCCCC3)[nH]c2=O)cc1 C1CCN(CC1)[*:1] CCOc1ccc(cc1)NC(=S)c1c(N)nc([nH]c1=O)[*:1]
CCOc1ccc(NC(=S)c2c(N)nc(N3CCCCC3)[nH]c2=O)cc1 CCO[*:1] Nc1nc([nH]c(=O)c1C(=S)Nc1ccc(cc1)[*:1])N1CCCCC1
Cc1cnc([C@@H](C)NC(=O)N[C@@H](c2ccccc2)C(C)(C)C)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N[C@@H](C(C)(C)C)[*:1]
Cc1cnc([C@@H](C)NC(=O)N[C@@H](c2ccccc2)C(C)(C)C)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C)[*:1]
Cc1cnc([C@@H](C)NC(=O)N[C@@H](c2ccccc2)C(C)(C)C)s1 CC(C)(C)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N[C@@H](c1ccccc1)[*:1]
C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(N)=O C[C@H](C(N)=O)[*:1] C[C@@H](Oc1cccc(Cl)c1)C(=O)N[*:1]
C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)C(N)=O NC(=O)[*:1] C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)[*:1]
COc1ccccc1[C@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F COc1ccccc1[*:1] O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1C[C@@H]1[*:1]
COc1ccccc1[C@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F FC(F)(F)[*:1] COc1ccccc1[C@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[*:1]
O=S(=O)(c1ccccc1NCc1[nH]c(-c2ccccc2)c[nH+]1)C(F)F FC(F)[*:1] O=S(=O)(c1ccccc1NCc1[nH]c(c[nH+]1)-c1ccccc1)[*:1]
O=S(=O)(c1ccccc1NCc1[nH]c(-c2ccccc2)c[nH+]1)C(F)F O=S(=O)(C(F)F)[*:1] c1ccc(cc1)-c1c[nH+]c(CNc2ccccc2[*:1])[nH]1
O=S(=O)(c1ccccc1NCc1[nH]c(-c2ccccc2)c[nH+]1)C(F)F c1ccc(cc1)[*:1] O=S(=O)(c1ccccc1NCc1[nH]c(c[nH+]1)[*:1])C(F)F
CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)NC(N)=O)cc1 C[C@H](NC(N)=O)[*:1] CNS(=O)(=O)Cc1ccc(cc1)CNC(=O)[*:1]
CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)NC(N)=O)cc1 CNS(=O)(=O)C[*:1] C[C@H](NC(N)=O)C(=O)NCc1ccc(cc1)[*:1]
CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)NC(N)=O)cc1 CNS(=O)(=O)[*:1] C[C@H](NC(N)=O)C(=O)NCc1ccc(cc1)C[*:1]
CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)NC(N)=O)cc1 NC(=O)N[*:1] CNS(=O)(=O)Cc1ccc(cc1)CNC(=O)[C@H](C)[*:1]
CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1csc(C(C)C)n1 CC(C)[*:1] CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1csc(n1)[*:1]
CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1csc(C(C)C)n1 CCC[*:1] CC(C)c1nc(cs1)[C@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1csc(C(C)C)n1 CC(C)c1nc(cs1)[*:1] CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)[*:1]
C[C@@H](CNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)CN1CC[NH+](C)CC1 CC(C)(C)[*:1] C[C@@H](CNC(=O)[C@@H]1CCCCN1C(=O)O[*:1])CN1CC[NH+](C)CC1
COc1cccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1cccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)c1 COc1cccc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
CS(=O)(=O)NCC[NH2+]Cc1ccc(Br)cc1 CS(=O)(=O)N[*:1] Brc1ccc(cc1)C[NH2+]CC[*:1]
CN(C)C(=O)Cc1nc(-c2ccc(Cl)cc2Cl)cs1 CN(C)C(=O)[*:1] Clc1ccc(-c2csc(C[*:1])n2)c(Cl)c1
CN(C)C(=O)Cc1nc(-c2ccc(Cl)cc2Cl)cs1 CN(C)C(=O)C[*:1] Clc1ccc(-c2csc(n2)[*:1])c(Cl)c1
CCCN1C(=O)CCc2cc(NC(=O)c3ccccc3OC)ccc21 CCC[*:1] COc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NC(=O)c3ccccc3OC)ccc21 COc1ccccc1[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)[*:1]
CC(C)(C)NS(=O)(=O)NC(=O)c1c[nH]c2ccccc12 CC(C)(C)[*:1] O=C(NS(=O)(=O)N[*:1])c1c[nH]c2ccccc12
COCC[C@@H](C)NC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] COCC[C@@H](C)[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)N[*:1]
COCC[C@@H](C)NC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] O=C([O-])[*:1] COCC[C@@H](C)NC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1[*:1]
COCC[C@@H](C)NC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] COC[*:1] C[C@H](C[*:1])NC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-]
COCC[C@@H](C)NC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] COCC[*:1] C[C@@H](NC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-])[*:1]
CC(C)c1ccc(O[C@@H](C)C(=O)NC(N)=O)cc1 CC(C)[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)NC(N)=O
CC(C)c1ccc(O[C@@H](C)C(=O)NC(N)=O)cc1 NC(=O)NC(=O)[*:1] CC(C)c1ccc(cc1)O[C@@H](C)[*:1]
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1C c1cc(co1)[*:1] COc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
COC(=O)c1ccccc1C(=O)N1CCC[C@@H]2CN(C(=O)c3cccc(OC)c3)CC[C@H]21 COC(=O)c1ccccc1[*:1] COc1cccc(c1)C(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)[*:1])C1
COC(=O)c1ccccc1C(=O)N1CCC[C@@H]2CN(C(=O)c3cccc(OC)c3)CC[C@H]21 COc1cccc(c1)[*:1] COC(=O)c1ccccc1C(=O)N1CCC[C@@H]2CN(CC[C@H]21)C(=O)[*:1]
COC(=O)c1ccccc1C(=O)N1CCC[C@@H]2CN(C(=O)c3cccc(OC)c3)CC[C@H]21 COC(=O)[*:1] COc1cccc(c1)C(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2[*:1])C1
CC(C)[C@@](C)(O)CNC(=O)N[C@H](c1nccs1)C1CC1 c1csc(n1)[*:1] CC(C)[C@@](C)(O)CNC(=O)N[C@H](C1CC1)[*:1]
CC(C)[C@@](C)(O)CNC(=O)N[C@H](c1nccs1)C1CC1 CC(C)[*:1] C[C@@](O)(CNC(=O)N[C@H](c1nccs1)C1CC1)[*:1]
CC(C)[C@@](C)(O)CNC(=O)N[C@H](c1nccs1)C1CC1 CC(C)[C@@](C)(O)[*:1] O=C(NC[*:1])N[C@H](c1nccs1)C1CC1
CC(C)[C@@](C)(O)CNC(=O)N[C@H](c1nccs1)C1CC1 C1CC1[*:1] CC(C)[C@@](C)(O)CNC(=O)N[C@H](c1nccs1)[*:1]
O=C(Nc1nc(CC(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(Nc1nc(CC(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C(Nc1nc(cs1)CC(=O)N1CCN(CC1)[*:1])c1ccc(Cl)cc1
O=C(Nc1nc(CC(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(Nc1nc(cs1)CC(=O)N1CCN(CC1)C[*:1])c1ccc(Cl)cc1
O=C(Nc1nc(CC(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 O=C(Cc1csc(n1)[*:1])N1CCN(CC1)Cc1ccccc1
CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)c2ccnn2C)C1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1c[nH]nc1[C@H]1CCCN(C1)C(=O)c1ccnn1C
CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)c2ccnn2C)C1 c1ccc(cc1)C[*:1] CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C1)C(=O)c1ccnn1C)[*:1]
CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)c2ccnn2C)C1 Cn1nccc1[*:1] CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)c1nn(ccc1=O)[*:1]
CC(C)(C)c1n[nH]c(C(=O)Nc2ccc(O)c(F)c2)n1 CC(C)(C)[*:1] O=C(Nc1ccc(O)c(F)c1)c1nc(n[nH]1)[*:1]
CCO[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 CCO[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C1)[*:1]
CCO[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 FC(F)(F)[*:1] CCO[C@H]1CCCN(C1)C(=O)Nc1ccccc1[*:1]
CC(C)[C@@H](C(=O)Nc1cccc(Cl)c1F)n1nnc(-c2ccccc2)n1 CC(C)[*:1] O=C(Nc1cccc(Cl)c1F)[C@@H](n1nnc(n1)-c1ccccc1)[*:1]
CC(C)[C@@H](C(=O)Nc1cccc(Cl)c1F)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)Nc1cccc(Cl)c1F)n1nnc(n1)[*:1]
CC(C)[C@@H](C(=O)Nc1cccc(Cl)c1F)n1nnc(-c2ccccc2)n1 Fc1c(Cl)cccc1[*:1] CC(C)[C@@H](C(=O)N[*:1])n1nnc(n1)-c1ccccc1
CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 CS(=O)(=O)[*:1] CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(cc1)[*:1])c1ccccc1
CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(cc1)S(C)(=O)=O)[*:1]
CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 CC(C)[*:1] C[C@H](NC(=O)[C@@H](c1ccccc1)[*:1])c1ccc(cc1)S(C)(=O)=O
O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(Nc1ccc(F)c(F)c1)[*:1]
C[C@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C(C)(C)CO1 c1nc(no1)[*:1] C[C@H]1CN(C(=O)c2ccc(cc2)[*:1])C(C)(C)CO1
Clc1ccc(C2(CCc3cccs3)C[NH2+]C2)cc1 c1csc(c1)[*:1] Clc1ccc(cc1)C1(CC[*:1])C[NH2+]C1
Clc1ccc(C2(CCc3cccs3)C[NH2+]C2)cc1 c1csc(c1)C[*:1] Clc1ccc(cc1)C1(C[NH2+]C1)C[*:1]
C[C@@H](OC(=O)[C@@H]1COCCO1)c1nc(-c2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] C[C@@H](OC(=O)[C@@H]1COCCO1)c1nc(no1)-c1cccc(c1)[*:1]
Cc1ccc2c(CC(=O)N3CCC(C(=O)[O-])CC3)coc2c1 O=C([O-])[*:1] Cc1ccc2c(coc2c1)CC(=O)N1CCC(CC1)[*:1]
COc1ccc(OC)c2sc(N3CCN(C(=O)CSc4ccc(Cl)cc4)CC3)nc12 Clc1ccc(cc1)SC[*:1] COc1ccc(OC)c2sc(nc12)N1CCN(CC1)C(=O)[*:1]
COc1ccc(OC)c2sc(N3CCN(C(=O)CSc4ccc(Cl)cc4)CC3)nc12 Clc1ccc(cc1)S[*:1] COc1ccc(OC)c2sc(nc12)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(OC)c2sc(N3CCN(C(=O)CSc4ccc(Cl)cc4)CC3)nc12 Clc1ccc(cc1)[*:1] COc1ccc(OC)c2sc(nc12)N1CCN(CC1)C(=O)CS[*:1]
CCCCN1CC[C@@H]([NH3+])[C@H](C)[C@@H]1C CCC[*:1] C[C@@H]1[C@H](C)N(CC[C@H]1[NH3+])C[*:1]
CCCCN1CC[C@@H]([NH3+])[C@H](C)[C@@H]1C CCCC[*:1] C[C@@H]1[C@H](C)N(CC[C@H]1[NH3+])[*:1]
CCCc1nn(-c2cccc(Cl)c2)c(O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccc(C)cc2)C1=O Clc1cccc(c1)[*:1] CCCc1nn(c(O)c1C1C(=O)N(C(=O)C=1[n+]1ccccc1)c1ccc(C)cc1)[*:1]
CCCc1nn(-c2cccc(Cl)c2)c(O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccc(C)cc2)C1=O CCC[*:1] Cc1ccc(cc1)N1C(=O)C(=C(C1=O)[n+]1ccccc1)c1c(nn(-c2cccc(Cl)c2)c1O)[*:1]
CCCc1nn(-c2cccc(Cl)c2)c(O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccc(C)cc2)C1=O c1cc[n+](cc1)[*:1] CCCc1nn(-c2cccc(Cl)c2)c(O)c1C1C(=O)N(C(=O)C=1[*:1])c1ccc(C)cc1
CCCc1nn(-c2cccc(Cl)c2)c(O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccc(C)cc2)C1=O Cc1ccc(cc1)[*:1] CCCc1nn(-c2cccc(Cl)c2)c(O)c1C1C(=O)N(C(=O)C=1[n+]1ccccc1)[*:1]
CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] CC(=O)Nc1ccc(cc1)S[C@@H](C)C(=O)N[C@H](C)[*:1]
CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 CC(=O)N[*:1] C[C@H](Sc1ccc(cc1)[*:1])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl
COC1=C(C(=O)NCc2ccc3c(c2)OCO3)[C@H]2CCN(C(=O)[C@H]3N=C(C)C=C3C)CCN2C(=O)C1 c1cc2OCOc2cc1C[*:1] COC1CC(=O)N2CCN(CC[C@@H]2C=1C(=O)N[*:1])C(=O)[C@H]1N=C(C)C=C1C
COC1=C(C(=O)NCc2ccc3c(c2)OCO3)[C@H]2CCN(C(=O)[C@H]3N=C(C)C=C3C)CCN2C(=O)C1 c1cc2OCOc2cc1[*:1] COC1CC(=O)N2CCN(CC[C@@H]2C=1C(=O)NC[*:1])C(=O)[C@H]1N=C(C)C=C1C
COc1ccc(CNC(=O)C#Cc2ccccc2)c(OC(F)F)c1 c1ccc(cc1)[*:1] COc1ccc(CNC(=O)C#C[*:1])c(c1)OC(F)F
COc1ccc(CNC(=O)C#Cc2ccccc2)c(OC(F)F)c1 C(#C[*:1])c1ccccc1 COc1ccc(CNC(=O)[*:1])c(c1)OC(F)F
COc1ccc(CNC(=O)C#Cc2ccccc2)c(OC(F)F)c1 FC(F)[*:1] COc1ccc(CNC(=O)C#Cc2ccccc2)c(c1)O[*:1]
COc1ccc(CNC(=O)C#Cc2ccccc2)c(OC(F)F)c1 FC(F)O[*:1] COc1ccc(CNC(=O)C#Cc2ccccc2)c(c1)[*:1]
O=C(NCc1ccsc1)C(=O)Nc1ccccc1CN1CCc2ccccc21 c1cc(cs1)C[*:1] O=C(Nc1ccccc1CN1CCc2ccccc21)C(=O)N[*:1]
O=C(NCc1ccsc1)C(=O)Nc1ccccc1CN1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] O=C(NCc1ccsc1)C(=O)Nc1ccccc1C[*:1]
O=C(NCc1ccsc1)C(=O)Nc1ccccc1CN1CCc2ccccc21 c1cc(cs1)[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1CN1CCc2ccccc21
CS(=O)(=O)[N-]c1cccc(NC(=O)N2CCC[C@H](C(N)=O)C2)c1 NC(=O)[*:1] CS(=O)(=O)[N-]c1cccc(c1)NC(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@@H](C)Cn4cc[nH+]c4C)C3)c(-c3ccncc3)c2c1 c1cc(ccn1)[*:1] Cc1ccc2[nH]c(c(c2c1)[*:1])[C@H]1CCCN(C1)C(=O)[C@@H](C)Cn1cc[nH+]c1C
CCCOCC(=O)N(Cc1cccs1)c1ccc(F)cc1F c1csc(c1)C[*:1] CCCOCC(=O)N(c1ccc(F)cc1F)[*:1]
CCCOCC(=O)N(Cc1cccs1)c1ccc(F)cc1F CCC[*:1] O=C(CO[*:1])N(Cc1cccs1)c1ccc(F)cc1F
CCCOCC(=O)N(Cc1cccs1)c1ccc(F)cc1F CCCOC[*:1] O=C(N(Cc1cccs1)c1ccc(F)cc1F)[*:1]
CCCOCC(=O)N(Cc1cccs1)c1ccc(F)cc1F c1csc(c1)[*:1] CCCOCC(=O)N(C[*:1])c1ccc(F)cc1F
CCCOCC(=O)N(Cc1cccs1)c1ccc(F)cc1F CCCO[*:1] O=C(C[*:1])N(Cc1cccs1)c1ccc(F)cc1F
C[C@@H](c1ccccc1)N1C(=O)N[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C1=O c1ccc(cc1)[*:1] C[C@@H](N1C(=O)N[C@](NS(=O)(=O)c2ccccc2)(C1=O)C(F)(F)F)[*:1]
C[C@@H](c1ccccc1)N1C(=O)N[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C1=O c1ccc(cc1)[*:1] C[C@@H](c1ccccc1)N1C(=O)N[C@](NS(=O)(=O)[*:1])(C1=O)C(F)(F)F
C[C@@H](c1ccccc1)N1C(=O)N[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C1=O FC(F)(F)[*:1] C[C@@H](c1ccccc1)N1C(=O)N[C@@](NS(=O)(=O)c2ccccc2)(C1=O)[*:1]
C[C@@H](c1ccccc1)N1C(=O)N[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C1=O C[C@@H](c1ccccc1)[*:1] O=C1N[C@](NS(=O)(=O)c2ccccc2)(C(=O)N1[*:1])C(F)(F)F
O=C([O-])c1nnn(-c2cccc(Br)c2)c1[C@@H]1COc2ccccc2O1 O=C([O-])[*:1] Brc1cccc(c1)-n1nnc(c1[C@@H]1COc2ccccc2O1)[*:1]
O=C([O-])c1nnn(-c2cccc(Br)c2)c1[C@@H]1COc2ccccc2O1 Brc1cccc(c1)[*:1] O=C([O-])c1nnn(c1[C@@H]1COc2ccccc2O1)[*:1]
O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2ccnn2CCO)CC1 OCCn1nccc1[*:1] O=C(Cc1ccc2OCOc2c1)N1CCC(CC1)[*:1]
O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2ccnn2CCO)CC1 OCC[*:1] O=C(Cc1ccc2OCOc2c1)N1CCC(CC1)c1ccnn1[*:1]
[NH3+]Cc1n[n-]c(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] [NH3+]Cc1n[n-]c(n1)-c1ccc(cc1)[*:1]
[NH3+]Cc1ccc(OCCO)cn1 OCC[*:1] [NH3+]Cc1ccc(cn1)O[*:1]
[NH3+]Cc1ccc(OCCO)cn1 OCCO[*:1] [NH3+]Cc1ccc(cn1)[*:1]
COC(=O)c1ccc(N2C(=O)c3ccc(OC)c(OC)c3C2=O)cc1 COC(=O)[*:1] COc1ccc2C(=O)N(C(=O)c2c1OC)c1ccc(cc1)[*:1]
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccccc2F)CC1 Cc1ccccc1[*:1] O=C(N[C@@H]1CCCC[C@H]1NC(=O)[*:1])C1CCN(CC1)C(=O)c1ccccc1F
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccccc2F)CC1 Cc1ccccc1C(=O)N[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])C1CCN(CC1)C(=O)c1ccccc1F
CCOC(=O)[C@H]1C(=O)N[C@H]2c3ccccc3O[C@H]3CCCC[C@@]312 CCOC(=O)[*:1] O=C1N[C@H]2c3ccccc3O[C@H]3CCCC[C@]32[C@H]1[*:1]
O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)o1)c1cc2ccccc2o1 Clc1ccc(c(Cl)c1)[*:1] O=C(Nc1nnc(o1)[*:1])c1cc2ccccc2o1
O=C(NCCc1ccsc1)c1ccc(N2CCOCC2)nc1 c1cc(cs1)CC[*:1] O=C(N[*:1])c1ccc(nc1)N1CCOCC1
O=C(NCCc1ccsc1)c1ccc(N2CCOCC2)nc1 c1cc(cs1)[*:1] O=C(NCC[*:1])c1ccc(nc1)N1CCOCC1
O=C(NCCc1ccsc1)c1ccc(N2CCOCC2)nc1 c1cc(cs1)C[*:1] O=C(NC[*:1])c1ccc(nc1)N1CCOCC1
O=C(NCCc1ccsc1)c1ccc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] O=C(NCCc1ccsc1)c1ccc(nc1)[*:1]
CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)C(C)C)o3)CC2=O)cc1 CC(C)C(=O)N[*:1] CCOc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(o1)[*:1]
CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)C(C)C)o3)CC2=O)cc1 CC(C)[*:1] CCOc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)[*:1])o1
CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)C(C)C)o3)CC2=O)cc1 CCO[*:1] CC(C)C(=O)Nc1nnc(o1)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CC(C)(CNC(=O)c1ccncc1Cl)NC(=O)OC(C)(C)C Clc1cnccc1[*:1] CC(C)(CNC(=O)[*:1])NC(=O)OC(C)(C)C
CC(C)(CNC(=O)c1ccncc1Cl)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(CNC(=O)c1ccncc1Cl)NC(=O)O[*:1]
Cc1nc(CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 Cc1nc(cs1)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)C[*:1]
Cc1nc(CC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 Cc1nc(cs1)C[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)[*:1]
Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] Cc1nc(cc(n1)N1CCN(CC1)S(=O)(=O)[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 C1CN(CCO1)[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
COc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)C(C)C CC(C)C(=O)N[*:1] COc1cc(ccc1[*:1])NC(=S)NC(=O)c1cc(Cl)ccc1Cl
COc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)C(C)C Clc1ccc(Cl)c(c1)[*:1] COc1cc(ccc1NC(=O)C(C)C)NC(=S)NC(=O)[*:1]
COc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)C(C)C CC(C)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=S)NC(=O)c1cc(Cl)ccc1Cl
N#C[C@H](C(=O)c1ccccc1CCc1ccccc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@H](C(=O)c1ccccc1CCc1ccccc1)[*:1]
N#C[C@H](C(=O)c1ccccc1CCc1ccccc1)c1ccc(F)cn1 c1ccc(cc1)[*:1] N#C[C@H](C(=O)c1ccccc1CC[*:1])c1ccc(F)cn1
N#C[C@H](C(=O)c1ccccc1CCc1ccccc1)c1ccc(F)cn1 c1ccc(cc1)C[*:1] N#C[C@H](C(=O)c1ccccc1C[*:1])c1ccc(F)cn1
N#C[C@H](C(=O)c1ccccc1CCc1ccccc1)c1ccc(F)cn1 c1ccc(cc1)CC[*:1] N#C[C@H](C(=O)c1ccccc1[*:1])c1ccc(F)cn1
Cc1cc([C@H]([NH2+]C(C)C)c2ccoc2)c(F)cc1F c1cc(co1)[*:1] Cc1cc(c(F)cc1F)[C@H]([NH2+]C(C)C)[*:1]
Cc1cc([C@H]([NH2+]C(C)C)c2ccoc2)c(F)cc1F CC(C)[*:1] Cc1cc(c(F)cc1F)[C@H]([NH2+][*:1])c1ccoc1
CC(=O)c1cccc(-c2ccc(C(=O)[O-])cc2F)c1 O=C([O-])[*:1] CC(=O)c1cccc(c1)-c1ccc(cc1F)[*:1]
CC(=O)c1cccc(-c2ccc(C(=O)[O-])cc2F)c1 CC(=O)[*:1] O=C([O-])c1ccc(-c2cccc(c2)[*:1])c(F)c1
O=C(/C=C/c1ccc(F)cc1)N1CCC[C@H]1c1cccnc1 c1cncc(c1)[*:1] O=C(/C=C/c1ccc(F)cc1)N1CCC[C@@H]1[*:1]
O=C(/C=C/c1ccc(F)cc1)N1CCC[C@H]1c1cccnc1 Fc1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCC[C@H]1c1cccnc1
CNC(=O)COc1ccccc1CN1CCO[C@@H](C#N)C1 CNC(=O)CO[*:1] N#C[C@H]1CN(CCO1)Cc1ccccc1[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H](C#N)C1 CNC(=O)[*:1] N#C[C@H]1CN(CCO1)Cc1ccccc1OC[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H](C#N)C1 CNC(=O)C[*:1] N#C[C@H]1CN(CCO1)Cc1ccccc1O[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccnc(OCC(F)F)c1 FC(F)C[*:1] CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccnc(c1)O[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccnc(OCC(F)F)c1 FC(F)CO[*:1] CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccnc(c1)[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccnc(OCC(F)F)c1 CNC(=O)[*:1] O=C(NCc1ccnc(c1)OCC(F)F)N[C@H]1CCCC[C@@H]1[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccnc(OCC(F)F)c1 FC(F)[*:1] CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccnc(c1)OC[*:1]
CCNc1nnc(Sc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])s1 CCN[*:1] O=C(NC1CC1)c1ccc(Sc2nnc(s2)[*:1])c(c1)[N+](=O)[O-]
CCNc1nnc(Sc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] CCNc1nnc(Sc2ccc(cc2[*:1])C(=O)NC2CC2)s1
CCNc1nnc(Sc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])s1 CCNc1nnc(s1)[*:1] O=C(NC1CC1)c1ccc(S[*:1])c(c1)[N+](=O)[O-]
CCNc1nnc(Sc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])s1 C1CC1[*:1] CCNc1nnc(Sc2ccc(cc2[N+](=O)[O-])C(=O)N[*:1])s1
CCNc1nnc(Sc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])s1 O=C(NC1CC1)[*:1] CCNc1nnc(Sc2ccc(cc2[N+](=O)[O-])[*:1])s1
CCc1nn(C)cc1C(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 Cc1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)N(CC[*:1])C[C@@H]1CCCO1
CCc1nn(C)cc1C(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 Cc1ccc(cc1)C[*:1] CCc1nn(C)cc1C(=O)N(C[C@@H]1CCCO1)C[*:1]
CCc1nn(C)cc1C(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 CCc1nn(C)cc1[*:1] Cc1ccc(cc1)CCN(C[C@@H]1CCCO1)C(=O)[*:1]
CCc1nn(C)cc1C(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CCc1nn(C)cc1C(=O)N(CCc1ccc(C)cc1)[*:1]
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)Nc4cccc(F)c4)c(=O)n2C3)cc1 O=C(Nc1cccc(F)c1)N[*:1] COc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H](C1)c1ccc(c(=O)n1C2)[*:1]
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)Nc4cccc(F)c4)c(=O)n2C3)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)N[*:1])c(=O)n1C2
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)Nc4cccc(F)c4)c(=O)n2C3)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)Nc1ccc2[C@@H]3C[C@@H](CN(C3)C(=O)[*:1])Cn2c1=O
C[C@@H](C(=O)Nc1cccc(-c2cn[nH]c2)c1)c1ccsc1 C[C@@H](c1ccsc1)[*:1] O=C(Nc1cccc(c1)-c1cn[nH]c1)[*:1]
C[C@@H](C(=O)Nc1cccc(-c2cn[nH]c2)c1)c1ccsc1 c1n[nH]cc1[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])c1ccsc1
C[C@@H](C(=O)Nc1cccc(-c2cn[nH]c2)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)Nc1cccc(c1)-c1cn[nH]c1)[*:1]
Cc1cccc(-n2cnc(C(=O)N3CCC4=NN=C(c5ccno5)[C@H]4C3)c2)n1 Cc1cccc(n1)[*:1] O=C(c1cn(cn1)[*:1])N1CCC2=NN=C(c3ccno3)[C@H]2C1
Cc1cccc(-n2cnc(C(=O)N3CCC4=NN=C(c5ccno5)[C@H]4C3)c2)n1 c1cc(on1)[*:1] Cc1cccc(n1)-n1cnc(c1)C(=O)N1CCC2=NN=C([C@H]2C1)[*:1]
CCOCCN(C)C(=O)c1cc2ccc(OC)cc2nc1C CCO[*:1] COc1ccc2cc(C(=O)N(C)CC[*:1])c(C)nc2c1
CCOCCN(C)C(=O)c1cc2ccc(OC)cc2nc1C CCOC[*:1] COc1ccc2cc(C(=O)N(C)C[*:1])c(C)nc2c1
CCOCCN(C)C(=O)c1cc2ccc(OC)cc2nc1C CCOCC[*:1] COc1ccc2cc(C(=O)N(C)[*:1])c(C)nc2c1
CCC[NH2+][C@H](Cc1ccccc1)[C@H]1CCO[C@@H]1C c1ccc(cc1)[*:1] CCC[NH2+][C@H](C[*:1])[C@H]1CCO[C@@H]1C
CCC[NH2+][C@H](Cc1ccccc1)[C@H]1CCO[C@@H]1C CCC[*:1] C[C@H]1OCC[C@@H]1[C@@H](Cc1ccccc1)[NH2+][*:1]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(C[C@@H]4CCCO4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 O=[N+]([O-])[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(c1)[*:1]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(C[C@@H]4CCCO4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 C1CO[C@@H](C1)C[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(C[C@@H]4CCCO4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1[*:1]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(C[C@@H]4CCCO4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 C1CO[C@@H](C1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(c1)[N+](=O)[O-]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(C[C@@H]4CCCO4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 C[C@@H]1Cc2cc(ccc2O1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(c2)[N+](=O)[O-])N1C[C@@H]1CCCO1
O=C(/C=C/c1ccc(F)cc1)NNC(=S)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(/C=C/c1ccc(F)cc1)NNC(=S)NC[*:1]
O=C(/C=C/c1ccc(F)cc1)NNC(=S)NC[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(C=C[*:1])NNC(=S)NC[C@@H]1CCCO1
O=C(/C=C/c1ccc(F)cc1)NNC(=S)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(/C=C/c1ccc(F)cc1)NNC(=S)N[*:1]
Cc1ncccc1/C=C1/CCOc2cc(Cl)ccc2C1=O Cc1ncccc1[*:1] O=C1C(=C[*:1])CCOc2cc(Cl)ccc21
COc1cc(C)sc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 c1csc(c1)[*:1] COc1cc(C)sc1C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CC(C)C[NH2+]CC/C=C/c1ccc(Cl)cc1 CC(C)[*:1] Clc1ccc(/C=C/CC[NH2+]C[*:1])cc1
CC(C)C[NH2+]CC/C=C/c1ccc(Cl)cc1 CC(C)C[*:1] Clc1ccc(/C=C/CC[NH2+][*:1])cc1
C[C@H](NC(=O)[C@@H]1CC=CCC1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1CC=CCC1)c1noc(C[*:1])n1
C[C@H](NC(=O)[C@@H]1CC=CCC1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)[C@@H]1CC=CCC1)c1noc(n1)[*:1]
Cc1noc(C2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)n1 CC(C)(C)[*:1] Cc1noc(n1)C1CCN(CC1)c1ccc(c(c1)O[*:1])[N+](=O)[O-]
Cc1noc(C2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)n1 O=[N+]([O-])[*:1] Cc1noc(n1)C1CCN(CC1)c1ccc(c(c1)OC(C)(C)C)[*:1]
Cc1noc(C2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)n1 Cc1noc(n1)[*:1] CC(C)(C)Oc1cc(ccc1[N+](=O)[O-])N1CCC(CC1)[*:1]
Cc1noc(C2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC2)n1 CC(C)(C)O[*:1] Cc1noc(n1)C1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
CC(C)C[C@H](CNS(=O)(=O)c1cccc(F)c1)N1CCOCC1 Fc1cccc(c1)[*:1] CC(C)C[C@H](CNS(=O)(=O)[*:1])N1CCOCC1
CC(C)C[C@H](CNS(=O)(=O)c1cccc(F)c1)N1CCOCC1 CC(C)[*:1] O=S(=O)(NC[C@@H](C[*:1])N1CCOCC1)c1cccc(F)c1
CC(C)C[C@H](CNS(=O)(=O)c1cccc(F)c1)N1CCOCC1 CC(C)C[*:1] O=S(=O)(NC[C@H](N1CCOCC1)[*:1])c1cccc(F)c1
CC(C)C[C@H](CNS(=O)(=O)c1cccc(F)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@H](CNS(=O)(=O)c1cccc(F)c1)[*:1]
C[S@](=O)CCNC(=O)Nc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] C[S@](=O)CCNC(=O)Nc1cc(on1)[*:1]
CC(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1cc(C)nc2c1c(C)nn2[*:1]
CC(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c1 CC(=O)c1cccc(c1)[*:1] Cc1cc(C(=O)N[*:1])c2c(C)nn(-c3ccc(F)cc3)c2n1
CC(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c1 CC(=O)[*:1] Cc1cc(C(=O)Nc2cccc(c2)[*:1])c2c(C)nn(-c3ccc(F)cc3)c2n1
COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)C)c21 CC(C)[*:1] COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(c21)[*:1]
CSc1nc2nc(C)c3c(=O)n(Cc4ccccc4)ccc3n2n1 c1ccc(cc1)[*:1] CSc1nc2nc(C)c3c(=O)n(ccc3n2n1)C[*:1]
CSc1nc2nc(C)c3c(=O)n(Cc4ccccc4)ccc3n2n1 c1ccc(cc1)C[*:1] CSc1nc2nc(C)c3c(=O)n(ccc3n2n1)[*:1]
CC[C@@H](C)NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C CC[C@@H](C)[*:1] Cc1nc2nc(nn2c(C)c1CCC(=O)N[*:1])C(F)(F)F
CC[C@@H](C)NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C CC[C@@H](C)NC(=O)C[*:1] Cc1nc2nc(nn2c(C)c1C[*:1])C(F)(F)F
CC[C@@H](C)NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C FC(F)(F)[*:1] CC[C@@H](C)NC(=O)CCc1c(C)nc2nc(nn2c1C)[*:1]
CC[C@@H](C)NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C CC[C@@H](C)NC(=O)[*:1] Cc1nc2nc(nn2c(C)c1CC[*:1])C(F)(F)F
CCSc1nnc(NC(=O)[C@@H]2C=C(c3ccc(C)cc3O)N=N2)s1 Cc1ccc(c(O)c1)[*:1] CCSc1nnc(NC(=O)[C@@H]2C=C(N=N2)[*:1])s1
CCSc1nnc(NC(=O)[C@@H]2C=C(c3ccc(C)cc3O)N=N2)s1 CCS[*:1] Cc1ccc(C2=C[C@H](N=N2)C(=O)Nc2nnc(s2)[*:1])c(O)c1
CCSc1nnc(NC(=O)[C@@H]2C=C(c3ccc(C)cc3O)N=N2)s1 CCSc1nnc(s1)[*:1] Cc1ccc(C2=C[C@H](N=N2)C(=O)N[*:1])c(O)c1
CCCc1cc(N)c2ccc(C(F)(F)F)cc2[nH+]1 FC(F)(F)[*:1] CCCc1cc(N)c2ccc(cc2[nH+]1)[*:1]
CCCc1cc(N)c2ccc(C(F)(F)F)cc2[nH+]1 CCC[*:1] Nc1cc([nH+]c2cc(ccc12)C(F)(F)F)[*:1]
CC(C)(O)CCN(CCC#N)c1ccccc1 CC(C)(O)C[*:1] N#CCCN(C[*:1])c1ccccc1
CC(C)(O)CCN(CCC#N)c1ccccc1 N#CCC[*:1] CC(C)(O)CCN(c1ccccc1)[*:1]
CC(C)(O)CCN(CCC#N)c1ccccc1 CC(C)(O)[*:1] N#CCCN(CC[*:1])c1ccccc1
CC(C)(O)CCN(CCC#N)c1ccccc1 N#CC[*:1] CC(C)(O)CCN(C[*:1])c1ccccc1
CC(C)C[C@@H]1COCCN1C(=O)Cc1csc(-c2nc[nH]n2)n1 c1nc(n[nH]1)[*:1] CC(C)C[C@@H]1COCCN1C(=O)Cc1csc(n1)[*:1]
CC(C)C[C@@H]1COCCN1C(=O)Cc1csc(-c2nc[nH]n2)n1 CC(C)[*:1] O=C(Cc1csc(n1)-c1nc[nH]n1)N1CCOC[C@H]1C[*:1]
CC(C)C[C@@H]1COCCN1C(=O)Cc1csc(-c2nc[nH]n2)n1 CC(C)C[*:1] O=C(Cc1csc(n1)-c1nc[nH]n1)N1CCOC[C@H]1[*:1]
O=C(CC1(C(=O)[O-])CCCCCC1)NNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CC1(CCCCCC1)C(=O)[O-])NNC(=O)[*:1]
O=C(CC1(C(=O)[O-])CCCCCC1)NNC(=O)c1ccc(Cl)cc1 O=C([O-])[*:1] O=C(CC1(CCCCCC1)[*:1])NNC(=O)c1ccc(Cl)cc1
CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 Cc1cccc(n1)NC(=O)[*:1] CC1NC2C[C@H](CC(=O)C=2[C@@H](C=1[*:1])c1cccs1)c1cccs1
CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 Cc1cccc(n1)[*:1] CC1NC2C[C@H](CC(=O)C=2[C@@H](C=1C(=O)N[*:1])c1cccs1)c1cccs1
CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 c1csc(c1)[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@@H](C=1C(=O)Nc1cccc(C)n1)c1cccs1)[*:1]
CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 c1csc(c1)[*:1] CC1NC2C[C@H](CC(=O)C=2[C@H](C=1C(=O)Nc1cccc(C)n1)[*:1])c1cccs1
Cc1cccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 Cc1cccc(c1)CNC(=O)[*:1] CC1(C)C(=O)N(C[*:1])c2ccc(cc21)S(=O)(=O)N1CCCCC1
Cc1cccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 Cc1cccc(c1)C[*:1] CC1(C)C(=O)N(CC(=O)N[*:1])c2ccc(cc21)S(=O)(=O)N1CCCCC1
Cc1cccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 O=S(=O)(N1CCCCC1)[*:1] Cc1cccc(c1)CNC(=O)CN1C(=O)C(C)(C)c2cc(ccc21)[*:1]
Cc1cccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 Cc1cccc(c1)[*:1] CC1(C)C(=O)N(CC(=O)NC[*:1])c2ccc(cc21)S(=O)(=O)N1CCCCC1
O=C1C[C@@H](c2ccc(-c3ccccn3)cc2)c2ccc(O)cc2N1 c1ccc(nc1)[*:1] O=C1C[C@@H](c2ccc(cc2)[*:1])c2ccc(O)cc2N1
C=CCN(Cc1ccc(Cl)cc1)C(=O)c1cc2sccc2n1CC C=CC[*:1] CCn1c(cc2sccc21)C(=O)N(Cc1ccc(Cl)cc1)[*:1]
C=CCN(Cc1ccc(Cl)cc1)C(=O)c1cc2sccc2n1CC Clc1ccc(cc1)[*:1] C=CCN(C[*:1])C(=O)c1cc2sccc2n1CC
C=CCN(Cc1ccc(Cl)cc1)C(=O)c1cc2sccc2n1CC Clc1ccc(cc1)C[*:1] C=CCN(C(=O)c1cc2sccc2n1CC)[*:1]
CCn1cnc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 O=C([O-])[*:1] CCn1cnc(c1)S(=O)(=O)N[C@H](Cc1cnc[nH]1)[*:1]
CCn1cnc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 c1ncc([nH]1)[*:1] CCn1cnc(c1)S(=O)(=O)N[C@H](C[*:1])C(=O)[O-]
CCn1cnc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 c1ncc(C[*:1])[nH]1 CCn1cnc(c1)S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
CCn1cnc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 CCn1cnc(c1)[*:1] O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)[*:1]
Nc1c(Nc2ccccc2Cl)ncnc1NC1CCCCCC1 C1CCCC(CC1)[*:1] Nc1c(ncnc1N[*:1])Nc1ccccc1Cl
Nc1c(Nc2ccccc2Cl)ncnc1NC1CCCCCC1 Clc1ccccc1[*:1] Nc1c(ncnc1N[*:1])NC1CCCCCC1
C[C@H]1CC[NH2+][C@H](C(C)(C)C)CN1CCSc1ccccc1 CC(C)(C)[*:1] C[C@H]1CC[NH2+][C@H](CN1CCSc1ccccc1)[*:1]
C[C@H]1CC[NH2+][C@H](C(C)(C)C)CN1CCSc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CC[NH2+][C@@H](CN1CCS[*:1])C(C)(C)C
C[C@H]1CC[NH2+][C@H](C(C)(C)C)CN1CCSc1ccccc1 c1ccc(cc1)S[*:1] C[C@H]1CC[NH2+][C@@H](CN1CC[*:1])C(C)(C)C
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N1CCC([NH+]2CCCC2)CC1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CNC(=O)N1CCC(CC1)[NH+]1CCCC1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N1CCC([NH+]2CCCC2)CC1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)N1CCC(CC1)[NH+]1CCCC1
CC[NH2+][C@H](CC)c1ccccc1OCc1ccncc1 c1cc(ccn1)[*:1] CC[NH2+][C@H](CC)c1ccccc1OC[*:1]
CCC(=O)N1N=C(c2ccc([N-]S(C)(=O)=O)cc2)C[C@@H]1c1ccc2ncccc2c1 c1cnc2ccc(cc2c1)[*:1] CCC(=O)N1N=C(C[C@H]1[*:1])c1ccc(cc1)[N-]S(C)(=O)=O
Cc1ccccc1Nc1nnc(SCc2nccn2C(F)F)s1 FC(F)[*:1] Cc1ccccc1Nc1nnc(SCc2nccn2[*:1])s1
Cc1ccccc1Nc1nnc(SCc2nccn2C(F)F)s1 Cc1ccccc1[*:1] FC(F)n1ccnc1CSc1nnc(N[*:1])s1
O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 FC(F)(F)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc(c1)[*:1]
O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 c1ccc(cc1)[*:1] O=C(N[C@H](C(F)(F)F)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CC(O)C3)nc2)CC1 O=C1CCCN1[*:1] O=C(c1ccc(nc1)N1CC(O)C1)N1CCC(CC1)C[*:1]
O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CC(O)C3)nc2)CC1 OC1CN(C1)[*:1] O=C1CCCN1CC1CCN(CC1)C(=O)c1ccc(nc1)[*:1]
O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CC(O)C3)nc2)CC1 O=C1CCCN1C[*:1] O=C(c1ccc(nc1)N1CC(O)C1)N1CCC(CC1)[*:1]
Cc1ccc(CC(=O)N2CCC[C@H]2C2CCC2)cc1O C1CC(C1)[*:1] Cc1ccc(cc1O)CC(=O)N1CCC[C@@H]1[*:1]
COc1ccc(C(=O)N[C@@H](C)c2csc(C(C)C)n2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)C(=O)N[C@@H](C)c1csc(n1)[*:1]
CCC1(CC)CC(=O)N(Cc2nc(-c3ccccc3OC)no2)C1=O COc1ccccc1[*:1] CCC1(CC)CC(=O)N(Cc2nc(no2)[*:1])C1=O
COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1OC COc1ccc(cc1OC)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCCC1)N1CCC[C@H]1[*:1]
COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1OC C1CCCN(CC1)[*:1] COc1ccc(cc1OC)[C@@H]1CCCN1C(=O)NCc1ccc([nH+]c1)[*:1]
Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)c2cccc(NC(=O)CCS(=O)(=O)[*:1])c2C1=O
O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1[*:1]
CC[C@@H](C)Nc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 Fc1ccccc1[*:1] CC[C@@H](C)Nc1oc(nc1S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
CC[C@@H](C)Nc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] CC[C@@H](C)Nc1oc(nc1S(=O)(=O)[*:1])-c1ccccc1F
CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2cc(C)sc2C)C(C)C)CC1 Cc1cc(c(C)s1)[*:1] CC[NH+]1CCN(CC1)[C@H](C)C[NH2+][C@@H](C(C)C)[*:1]
CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2cc(C)sc2C)C(C)C)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)[C@H](C)C[NH2+][C@@H](c1cc(C)sc1C)[*:1]
CC(C)CC[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 CC(C)CC[*:1] O=C(CN1CC[NH+](CC1)[*:1])Nc1cc(Cl)ccc1[N+](=O)[O-]
CC(C)CC[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 CC(C)[*:1] O=C(CN1CC[NH+](CC1)CC[*:1])Nc1cc(Cl)ccc1[N+](=O)[O-]
CC(C)CC[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC(C)CC[NH+]1CCN(CC1)CC(=O)Nc1cc(Cl)ccc1[*:1]
CC(C)CC[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 CC(C)C[*:1] O=C(CN1CC[NH+](CC1)C[*:1])Nc1cc(Cl)ccc1[N+](=O)[O-]
Cc1ccc([C@](C)([NH3+])[C@@H]2CCOC3(CCCCC3)C2)cc1 Cc1ccc(cc1)[*:1] C[C@]([NH3+])([C@@H]1CCOC2(CCCCC2)C1)[*:1]
CCOC[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C1 CCO[*:1] O=C(NCC(=O)N1CC[C@H](C1)C[*:1])c1ccc(Br)o1
CCOC[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C1 Brc1ccc(o1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)CNC(=O)[*:1]
CCOC[C@@H]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)C1 CCOC[*:1] O=C(NCC(=O)N1CC[C@H](C1)[*:1])c1ccc(Br)o1
Cc1n[nH]c(C)c1CCOC(=O)[C@@H]1CCCCN1S(C)(=O)=O Cc1n[nH]c(C)c1[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC[*:1]
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccn(C)n3)nc12 c1cncc(c1)[*:1] CCOc1cccc2sc(nc12)N(C[*:1])C(=O)c1ccn(C)n1
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccn(C)n3)nc12 c1cncc(c1)C[*:1] CCOc1cccc2sc(nc12)N(C(=O)c1ccn(C)n1)[*:1]
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccn(C)n3)nc12 CCO[*:1] Cn1ccc(n1)C(=O)N(Cc1cccnc1)c1nc2c(cccc2s1)[*:1]
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccn(C)n3)nc12 Cn1ccc(n1)[*:1] CCOc1cccc2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCc3cc(F)ccc3C2)c1 CNC(=O)[*:1] C[C@H](C(=O)Nc1cccc(c1)[*:1])N1CCc2cc(F)ccc2C1
CCCNC(=O)c1nc(-c2nc(-c3ccccn3)no2)cs1 CCC[*:1] O=C(N[*:1])c1nc(cs1)-c1nc(no1)-c1ccccn1
CCCNC(=O)c1nc(-c2nc(-c3ccccn3)no2)cs1 CCCNC(=O)[*:1] c1ccc(nc1)-c1noc(n1)-c1csc(n1)[*:1]
CCCNC(=O)c1nc(-c2nc(-c3ccccn3)no2)cs1 c1ccc(nc1)[*:1] CCCNC(=O)c1nc(cs1)-c1nc(no1)[*:1]
Cc1ccc([C@@H](C)NC(=O)c2cc3c(F)cc(Br)cc3[nH]2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)c1cc2c(F)cc(Br)cc2[nH]1)[*:1]
COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2cccc(C)c2C)c1C COC(=O)[*:1] Cc1cccc(NC(=O)c2sc(NC(=O)C(C)C)c(c2C)[*:1])c1C
COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2cccc(C)c2C)c1C CC(C)[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)Nc2cccc(C)c2C)c1C
COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2cccc(C)c2C)c1C CC(C)C(=O)N[*:1] COC(=O)c1c(sc(C(=O)Nc2cccc(C)c2C)c1C)[*:1]
COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2cccc(C)c2C)c1C Cc1cccc(c1C)[*:1] COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)N[*:1])c1C
Cc1ccccc1[C@@H](C)NS(=O)(=O)CC(=O)[O-] O=C([O-])[*:1] Cc1ccccc1[C@@H](C)NS(=O)(=O)C[*:1]
Cc1ccccc1[C@@H](C)NS(=O)(=O)CC(=O)[O-] O=C([O-])C[*:1] Cc1ccccc1[C@@H](C)NS(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1CCc1ccccc1 Cc1noc(C)c1[*:1] O=S(=O)(N1CCCC[C@H]1CCc1ccccc1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1C[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1CC[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1[*:1]
COC(=O)Cc1n[nH]c2c1[C@@H](c1ccc(OC)c(Br)c1)C(C#N)=C(N)O2 COC(=O)C[*:1] COc1ccc(cc1Br)[C@H]1C(C#N)=C(N)Oc2[nH]nc(c21)[*:1]
COC(=O)Cc1n[nH]c2c1[C@@H](c1ccc(OC)c(Br)c1)C(C#N)=C(N)O2 COC(=O)[*:1] COc1ccc(cc1Br)[C@H]1C(C#N)=C(N)Oc2[nH]nc(C[*:1])c21
CCCn1c(=C(C#N)C#N)s/c(=C/c2cccc3c2OCCCO3)c1=O CCC[*:1] N#CC(C#N)=c1s/c(=C/c2cccc3OCCCOc23)c(=O)n1[*:1]
CCOc1cccc(C(=N)NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c1 Fc1ccc(cc1)[*:1] CCOc1cccc(c1)C(=N)NC(=O)c1cnn(c1C)[*:1]
CCOc1cccc(C(=N)NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c1 CCOc1cccc(c1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)NC(=N)[*:1]
CCOc1cccc(C(=N)NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c1 CCO[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)NC(=N)c1cccc(c1)[*:1]
Cc1cc(OCC(=O)c2ccc[nH]2)ccc1Cl c1c[nH]c(c1)[*:1] Cc1cc(ccc1Cl)OCC(=O)[*:1]
COc1cc2c(cc1OC)CN(C(=O)c1cccc(NS(C)(=O)=O)c1)CC2 CS(=O)(=O)N[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)c1cccc(c1)[*:1]
O=C(c1cc(Br)c[nH]1)N1CCN([C@H]2CCC[C@@H]2O)CC1 Brc1c[nH]c(c1)[*:1] O=C(N1CCN(CC1)[C@H]1CCC[C@@H]1O)[*:1]
O=C(c1cc(Br)c[nH]1)N1CCN([C@H]2CCC[C@@H]2O)CC1 O[C@H]1CCC[C@@H]1[*:1] O=C(c1cc(Br)c[nH]1)N1CCN(CC1)[*:1]
CCc1[nH+]ccn1CCC(=O)N1CC[C@@H](C(=O)c2cnn(-c3ccc(C)cc3)c2N)C1 Cc1ccc(cc1)[*:1] CCc1[nH+]ccn1CCC(=O)N1CC[C@H](C1)C(=O)c1cnn(c1N)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2[C@H]2CCS(=O)(=O)C2)cc1C Cc1ccc(cc1C)[*:1] O=C(c1cc(n(n1)[C@H]1CCS(=O)(=O)C1)[*:1])N1CCC2(CC1)OCCO2
CC(=O)c1ccc(NC(=O)N(CCO)C2CC2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N(CCO)C1CC1
CC(=O)c1ccc(NC(=O)N(CCO)C2CC2)cc1 OCC[*:1] CC(=O)c1ccc(cc1)NC(=O)N(C1CC1)[*:1]
CC(=O)c1ccc(NC(=O)N(CCO)C2CC2)cc1 C1CC1[*:1] CC(=O)c1ccc(cc1)NC(=O)N(CCO)[*:1]
[NH3+][C@H]1CCCCC[C@H]1C(=O)NCC1CCCC1 C1CCC(C1)[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)NC[*:1]
COc1ccc2nc(C)c(C(=O)NCCc3ccccc3OC)cc2c1 COc1ccccc1[*:1] COc1ccc2nc(C)c(cc2c1)C(=O)NCC[*:1]
CCOc1cc(C[NH+]2CCN(C(=O)c3ccc(C)o3)CC2)cc(Cl)c1OC Cc1ccc(o1)[*:1] CCOc1cc(cc(Cl)c1OC)C[NH+]1CCN(CC1)C(=O)[*:1]
CCOc1cc(C[NH+]2CCN(C(=O)c3ccc(C)o3)CC2)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(cc1[*:1])C[NH+]1CCN(CC1)C(=O)c1ccc(C)o1
CCOc1nccc(Cl)n1 CCO[*:1] Clc1ccnc(n1)[*:1]
CCSC[C@H](C)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 CCSC[*:1] C[C@H](N(C)C(=O)C1=NN(C(=O)[C@@H](C)N1)c1ccccc1)[*:1]
CCSC[C@H](C)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 c1ccc(cc1)[*:1] CCSC[C@H](C)N(C)C(=O)C1=NN(C(=O)[C@@H](C)N1)[*:1]
CCSC[C@H](C)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)C1=NN(C(=O)[C@@H](C)N1)c1ccccc1
c1ncc(COCCC2CC[NH2+]CC2)s1 c1ncc(s1)[*:1] C1CC(CC[NH2+]1)CCOC[*:1]
CC1=C([C@@H]2CC(=O)Nc3cc4c(cc32)C[NH+]=N4)[C@H](N2CCOCC2)N(C)N1 C1CN(CCO1)[*:1] CC1NN(C)[C@@H](C=1[C@@H]1CC(=O)Nc2cc3N=[NH+]Cc3cc21)[*:1]
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Cn1nnc2ccccc2c1=O Cc1ccc(cc1)[*:1] CCN(C[C@H](O)[*:1])C(=O)Cn1nnc2ccccc2c1=O
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Cn1nnc2ccccc2c1=O Cc1ccc(cc1)[C@@H](O)[*:1] CCN(C[*:1])C(=O)Cn1nnc2ccccc2c1=O
C[C@@H]1CCC[C@]1(Sc1ccc(F)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@@H]1CCC[C@@]1(Sc1ccc(F)cc1)[*:1]
COc1cccc(C[C@@H](O)COC(C)C)c1 CC(C)OC[*:1] COc1cccc(c1)C[C@@H](O)[*:1]
COc1cccc(C[C@@H](O)COC(C)C)c1 CC(C)O[*:1] COc1cccc(c1)C[C@@H](O)C[*:1]
COc1cccc(C[C@@H](O)COC(C)C)c1 CC(C)[*:1] COc1cccc(c1)C[C@@H](O)CO[*:1]
Cn1cc(CC(=O)O[C@H](C#N)C2CC2)c2ccccc21 C1CC1[*:1] Cn1cc(CC(=O)O[C@H](C#N)[*:1])c2ccccc21
FC(F)n1ccnc1CN1CCC[C@@H](c2nnc3ccccn23)C1 FC(F)n1ccnc1[*:1] c1ccn2c(nnc2c1)[C@@H]1CCCN(C1)C[*:1]
FC(F)n1ccnc1CN1CCC[C@@H](c2nnc3ccccn23)C1 FC(F)[*:1] c1ccn2c(nnc2c1)[C@@H]1CCCN(Cc2nccn2[*:1])C1
CC(C)C(=O)Nc1ccc(NC(=O)NCC(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)NCC(=O)NC[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)NCC(=O)NCc2ccccc2)cc1 CC(C)[*:1] O=C(CNC(=O)Nc1ccc(cc1)NC(=O)[*:1])NCc1ccccc1
CC(C)C(=O)Nc1ccc(NC(=O)NCC(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)NCC(=O)N[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)NCC(=O)NCc2ccccc2)cc1 CC(C)C(=O)N[*:1] O=C(CNC(=O)Nc1ccc(cc1)[*:1])NCc1ccccc1
COc1cc(C#CBr)cc2c1OCO2 BrC#C[*:1] COc1cc(cc2OCOc12)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 CC(=O)N[*:1] O=C(Cn1cc(ccc1=O)[N+](=O)[O-])N1CCC[C@H](C1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 O=[N+]([O-])[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)Cn1cc(ccc1=O)[*:1]
C[C@H](Cn1c(CCCl)nc2cnccc21)C[NH+]1CCCC1 ClCC[*:1] C[C@H](Cn1c(nc2cnccc21)[*:1])C[NH+]1CCCC1
O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCc2sccc2[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(/C=C/c1ccc2OCCCOc2c1)N1CCc2sccc2[C@H]1[*:1]
O=C(c1cccc(Cl)c1)N1CCN(c2nc3ccc(F)cc3s2)CC1 Clc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1nc2ccc(F)cc2s1)[*:1]
COC(=O)CCNC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 CC(C)[*:1] COC(=O)CCNC(=O)c1csc(n1)-c1ccc(cc1)[*:1]
COC(=O)CCNC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 COC(=O)[*:1] CC(C)c1ccc(cc1)-c1nc(cs1)C(=O)NCC[*:1]
COC(=O)CCNC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 COC(=O)C[*:1] CC(C)c1ccc(cc1)-c1nc(cs1)C(=O)NC[*:1]
COC(=O)CCNC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 COC(=O)CC[*:1] CC(C)c1ccc(cc1)-c1nc(cs1)C(=O)N[*:1]
COc1cc(OC)c(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)c1cc2c(cnc(C)c2oc1=N[*:1])CO
COc1cc(OC)c(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccccc2)cc1Cl COc1cc(OC)c(cc1Cl)[*:1] Cc1ncc(CO)c2cc(C(=O)N[*:1])/c(=N/c3ccccc3)oc12
CCN(Cc1ccccc1NC(=O)N1CCCCCC1)C(C)=O CCN(C(C)=O)[*:1] O=C(Nc1ccccc1C[*:1])N1CCCCCC1
CCN(Cc1ccccc1NC(=O)N1CCCCCC1)C(C)=O CCN(C[*:1])C(C)=O O=C(Nc1ccccc1[*:1])N1CCCCCC1
Cn1cc(/C=C2/C(=O)NC(=O)c3ccccc32)cn1 Cn1cc(cn1)[*:1] O=C1NC(=O)c2ccccc2C1=C[*:1]
Cc1cc(C)cc(N2CC[C@H](NC(=O)c3cc(F)ccc3F)C2=O)c1 Fc1ccc(F)c(c1)[*:1] Cc1cc(C)cc(c1)N1CC[C@H](NC(=O)[*:1])C1=O
Cc1cc(C)cc(N2CC[C@H](NC(=O)c3cc(F)ccc3F)C2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])c1cc(F)ccc1F
O=C(CCSCc1ccccn1)Nc1cccc(N2CCCCC2)c1 C1CCN(CC1)[*:1] O=C(CCSCc1ccccn1)Nc1cccc(c1)[*:1]
O=C(CCSCc1ccccn1)Nc1cccc(N2CCCCC2)c1 c1ccc(nc1)[*:1] O=C(CCSC[*:1])Nc1cccc(c1)N1CCCCC1
O=C(CCSCc1ccccn1)Nc1cccc(N2CCCCC2)c1 c1ccc(CS[*:1])nc1 O=C(CC[*:1])Nc1cccc(c1)N1CCCCC1
O=C(CCSCc1ccccn1)Nc1cccc(N2CCCCC2)c1 c1ccc(C[*:1])nc1 O=C(CCS[*:1])Nc1cccc(c1)N1CCCCC1
C=CC[C@@H](Sc1nnc(-c2ccc(N)cc2)o1)c1ccccc1 C=CC[*:1] Nc1ccc(cc1)-c1nnc(o1)S[C@@H](c1ccccc1)[*:1]
C=CC[C@@H](Sc1nnc(-c2ccc(N)cc2)o1)c1ccccc1 Nc1ccc(cc1)[*:1] C=CC[C@@H](Sc1nnc(o1)[*:1])c1ccccc1
C=CC[C@@H](Sc1nnc(-c2ccc(N)cc2)o1)c1ccccc1 c1ccc(cc1)[*:1] C=CC[C@@H](Sc1nnc(o1)-c1ccc(N)cc1)[*:1]
Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3O)nc2c1 c1cc2OCOc2cc1[*:1] Cc1ccc2oc(nc2c1)-c1ccc(cc1O)NC(=S)NC(=O)[*:1]
Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3O)nc2c1 Cc1ccc2oc(nc2c1)[*:1] O=C(NC(=S)Nc1ccc(c(O)c1)[*:1])c1ccc2OCOc2c1
COC(=O)c1ccc(OCc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 COC(=O)[*:1] Cc1cc(C)cc(c1)COc1ccc(cc1[N+](=O)[O-])[*:1]
COC(=O)c1ccc(OCc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1ccc(OCc2cc(C)cc(C)c2)c(c1)[*:1]
CC(=O)c1ccccc1NC(=O)C(C)(C)Br CC(=O)[*:1] CC(C)(Br)C(=O)Nc1ccccc1[*:1]
CC(=O)c1ccccc1NC(=O)C(C)(C)Br CC(C)(Br)[*:1] CC(=O)c1ccccc1NC(=O)[*:1]
CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccn4)nc3c2[C@H]1c1ccc(OC)c(OC)c1 COc1ccc(cc1OC)[*:1] CCOC(=O)C1=C(C)Oc2ncn3nc(nc3c2[C@@H]1[*:1])-c1ccccn1
CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccn4)nc3c2[C@H]1c1ccc(OC)c(OC)c1 c1ccc(nc1)[*:1] CCOC(=O)C1=C(C)Oc2ncn3nc(nc3c2[C@H]1c1ccc(OC)c(c1)OC)[*:1]
CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccn4)nc3c2[C@H]1c1ccc(OC)c(OC)c1 CCOC(=O)[*:1] COc1ccc(cc1OC)[C@H]1C(=C(C)Oc2ncn3nc(nc3c21)-c1ccccn1)[*:1]
CC(C)Oc1cc2ccccc2cc1C(=O)N1CCn2c(nnc2-c2cccs2)C1 CC(C)[*:1] O=C(c1cc2ccccc2cc1O[*:1])N1CCn2c(C1)nnc2-c1cccs1
CC(C)Oc1cc2ccccc2cc1C(=O)N1CCn2c(nnc2-c2cccs2)C1 c1csc(c1)[*:1] CC(C)Oc1cc2ccccc2cc1C(=O)N1CCn2c(C1)nnc2[*:1]
CC(C)Oc1cc2ccccc2cc1C(=O)N1CCn2c(nnc2-c2cccs2)C1 CC(C)O[*:1] O=C(c1cc2ccccc2cc1[*:1])N1CCn2c(C1)nnc2-c1cccs1
C[C@@H](NC(=O)[C@@H]1CCCO1)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCO1)[*:1]
C[C@@H](NC(=O)[C@@H]1CCCO1)c1cccs1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)[*:1])c1cccs1
CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2cc(C)no2)CC1 Cc1cc(C[*:1])on1 CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(CC1)[*:1]
CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(Cc2cc(C)no2)CC1 Cc1cc(on1)[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(CC1)C[*:1]
Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C[NH2+]Cc2ccc(cc2)C[NH+]2CCCCC2)c(n1)[*:1]
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 Cc1n[nH]c(C)c1[*:1] O=C(c1ccco1)N1CCc2ccc(cc21)NS(=O)(=O)[*:1]
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 c1coc(c1)[*:1] Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1 O=C(NC1CCCCCC1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCc2ccccc2[C@@H]1C[*:1]
O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1 Fc1ccc(cc1)[*:1] O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)[*:1])NC1CCCCCC1
O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)N[*:1]
COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(NNc2ccccc2)=NC1=O c1ccc(cc1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(=NC1=O)NN[*:1]
CCCOc1cc(C)ccc1NC(=O)c1nc(C)c(C)[nH]c1=O CCCO[*:1] Cc1ccc(NC(=O)c2nc(C)c(C)[nH]c2=O)c(c1)[*:1]
CCCOc1cc(C)ccc1NC(=O)c1nc(C)c(C)[nH]c1=O CCC[*:1] Cc1ccc(NC(=O)c2nc(C)c(C)[nH]c2=O)c(c1)O[*:1]
CCCOc1ccccc1C(=O)NC(=S)Nn1c(C)cc(C)c(C#N)c1=O CCC[*:1] Cc1cc(C)n(NC(=S)NC(=O)c2ccccc2O[*:1])c(=O)c1C#N
CCCOc1ccccc1C(=O)NC(=S)Nn1c(C)cc(C)c(C#N)c1=O CCCO[*:1] Cc1cc(C)n(NC(=S)NC(=O)c2ccccc2[*:1])c(=O)c1C#N
C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3COCCO3)cc2[N+](=O)[O-])C1 C1CO[C@@H](CO1)[*:1] C[C@H]1C[C@@H](C)CN(C1)c1ccc(cc1[N+](=O)[O-])C(=O)NC[*:1]
C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3COCCO3)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1C[C@@H](C)CN(C1)c1ccc(cc1[*:1])C(=O)NC[C@@H]1COCCO1
C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3COCCO3)cc2[N+](=O)[O-])C1 C[C@H]1C[C@@H](C)CN(C1)[*:1] O=C(NC[C@@H]1COCCO1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3COCCO3)cc2[N+](=O)[O-])C1 C1CO[C@@H](CO1)C[*:1] C[C@H]1C[C@@H](C)CN(C1)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] CCCOc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O)cc2)cc1 CCC[*:1] O=C1C[C@H](C2C(=O)C[C@@H](CC=2N1)c1ccc(cc1)O[*:1])c1ccc(O)cc1
CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O)cc2)cc1 CCCO[*:1] O=C1C[C@H](C2C(=O)C[C@@H](CC=2N1)c1ccc(cc1)[*:1])c1ccc(O)cc1
C[C@@H](SCc1cc(=O)n2ccsc2n1)C(=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] C[C@@H](SCc1cc(=O)n2ccsc2n1)C(=O)N[*:1]
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccco1 c1coc(c1)C[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N(Cc1ccco1)[*:1]
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccco1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccco1)Cc1ccco1
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccco1 c1coc(c1)[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N(Cc1ccco1)C[*:1]
CC[C@H]1CCCC[C@H]1[C@H](O)[C@@H](C)OC CO[C@H](C)[*:1] CC[C@H]1CCCC[C@H]1[C@H](O)[*:1]
CCC(C)(C)N(C)c1cc(N)cc(S(N)(=O)=O)c1C CCC(C)(C)[*:1] Cc1c(cc(N)cc1S(N)(=O)=O)N(C)[*:1]
CCC(C)(C)N(C)c1cc(N)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] CCC(C)(C)N(C)c1cc(N)cc(c1C)[*:1]
NC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(c2nccs2)CC1 c1csc(n1)[*:1] NC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(CC1)[*:1]
NC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(c2nccs2)CC1 NC(=O)[*:1] O=C(CN1CCN(CC1)c1nccs1)N1CCCC[C@H]1[*:1]
CC(C)N(CC(N)=O)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 CC(C)[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)N(CC(N)=O)[*:1]
CC(C)N(CC(N)=O)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 NC(=O)[*:1] CC(C)N(C[*:1])C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1
CC(C)N(CC(N)=O)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 NC(=O)C[*:1] CC(C)N(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[*:1]
CCOCCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1CC CCOCC[*:1] CC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1[*:1]
CCOCCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1CC CCOC[*:1] CC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1C[*:1]
CCOCCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1CC CCO[*:1] CC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1CC[*:1]
CC(=O)N[C@@H](CC(=O)Nc1cnn(CC(C)C)c1)c1ccccc1 CC(=O)N[*:1] CC(C)Cn1cc(cn1)NC(=O)C[C@@H](c1ccccc1)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1cnn(CC(C)C)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1cnn(c1)CC(C)C)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1cnn(CC(C)C)c1)c1ccccc1 CC(C)[*:1] CC(=O)N[C@@H](CC(=O)Nc1cnn(c1)C[*:1])c1ccccc1
CC(=O)N[C@@H](CC(=O)Nc1cnn(CC(C)C)c1)c1ccccc1 CC(C)C[*:1] CC(=O)N[C@@H](CC(=O)Nc1cnn(c1)[*:1])c1ccccc1
CCn1nc(C)c(NC(=O)Cn2c(=O)[nH]c3ccccc32)c1C(=O)OC COC(=O)[*:1] CCn1nc(C)c(NC(=O)Cn2c(=O)[nH]c3ccccc32)c1[*:1]
CSC[C@@H](C)NC(=O)N(C)Cc1ccccc1C(F)(F)F FC(F)(F)[*:1] CSC[C@@H](C)NC(=O)N(C)Cc1ccccc1[*:1]
CSC[C@@H](C)NC(=O)N(C)Cc1ccccc1C(F)(F)F CSC[*:1] C[C@@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)[*:1]
CNC(=O)c1ccc(C[NH2+]C2CCN(c3nc(C)cs3)CC2)cc1 CNC(=O)[*:1] Cc1csc(n1)N1CCC(CC1)[NH2+]Cc1ccc(cc1)[*:1]
CNC(=O)c1ccc(C[NH2+]C2CCN(c3nc(C)cs3)CC2)cc1 Cc1csc(n1)[*:1] CNC(=O)c1ccc(cc1)C[NH2+]C1CCN(CC1)[*:1]
Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)c1ccc(C)c(c1)[*:1]
Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1N1CCOCC1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1N1CCOCC1)C(=O)Nc1ccc(C)c(c1)[*:1]
C[C@H](NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1nc(C(C)(C)C)no1 C1CCC(CC1)[*:1] C[C@H](NC(=O)N[C@@H]1C[C@H]1[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1nc(no1)[*:1]
COC(=O)C1CCN(C(=O)Cn2cnc3cc(C)c(C)cc32)CC1 COC(=O)[*:1] Cc1cc2ncn(CC(=O)N3CCC(CC3)[*:1])c2cc1C
C[NH2+][C@H](CCC(F)(F)F)c1cc(C)c(C)cc1C FC(F)(F)CC[*:1] C[NH2+][C@H](c1cc(C)c(C)cc1C)[*:1]
C[NH2+][C@H](CCC(F)(F)F)c1cc(C)c(C)cc1C FC(F)(F)C[*:1] C[NH2+][C@H](C[*:1])c1cc(C)c(C)cc1C
C[NH2+][C@H](CCC(F)(F)F)c1cc(C)c(C)cc1C FC(F)(F)[*:1] C[NH2+][C@H](CC[*:1])c1cc(C)c(C)cc1C
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N1CC=C(CC1)[*:1]
COc1cccc(C(=O)N2Cc3nn(-c4ccc(C)cc4C)c(-n4cccc4)c3C2)c1OC COc1cccc(c1OC)[*:1] Cc1ccc(c(C)c1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
COc1cccc(C(=O)N2Cc3nn(-c4ccc(C)cc4C)c(-n4cccc4)c3C2)c1OC Cc1ccc(c(C)c1)[*:1] COc1cccc(C(=O)N2Cc3nn(c(c3C2)-n2cccc2)[*:1])c1OC
COc1cccc(C(=O)N2Cc3nn(-c4ccc(C)cc4C)c(-n4cccc4)c3C2)c1OC c1ccn(c1)[*:1] COc1cccc(C(=O)N2Cc3nn(-c4ccc(C)cc4C)c(c3C2)[*:1])c1OC
CCc1nn(C)cc1NC(=O)C1(c2ccc(Cl)cc2)CCOCC1 CCc1nn(C)cc1[*:1] O=C(N[*:1])C1(CCOCC1)c1ccc(Cl)cc1
CCc1nn(C)cc1NC(=O)C1(c2ccc(Cl)cc2)CCOCC1 Clc1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)C1(CCOCC1)[*:1]
CS(=O)(=O)CCC(=O)N1CCCc2cc(Cl)cc(F)c21 CS(=O)(=O)C[*:1] O=C(C[*:1])N1CCCc2cc(Cl)cc(F)c21
CS(=O)(=O)CCC(=O)N1CCCc2cc(Cl)cc(F)c21 CS(=O)(=O)[*:1] O=C(CC[*:1])N1CCCc2cc(Cl)cc(F)c21
CS(=O)(=O)CCC(=O)N1CCCc2cc(Cl)cc(F)c21 CS(=O)(=O)CC[*:1] O=C(N1CCCc2cc(Cl)cc(F)c21)[*:1]
CCn1nnc(NCc2ccc(-c3ccccc3Cl)o2)n1 Clc1ccccc1[*:1] CCn1nnc(n1)NCc1ccc(o1)[*:1]
CCn1nnc(NCc2ccc(-c3ccccc3Cl)o2)n1 CCn1nnc(n1)[*:1] Clc1ccccc1-c1ccc(CN[*:1])o1
CC[NH+](CCC(F)(F)F)Cc1noc(-c2ccoc2)n1 FC(F)(F)[*:1] CC[NH+](CC[*:1])Cc1noc(n1)-c1ccoc1
CC[NH+](CCC(F)(F)F)Cc1noc(-c2ccoc2)n1 FC(F)(F)CC[*:1] CC[NH+](Cc1noc(n1)-c1ccoc1)[*:1]
CC[NH+](CCC(F)(F)F)Cc1noc(-c2ccoc2)n1 FC(F)(F)C[*:1] CC[NH+](Cc1noc(n1)-c1ccoc1)C[*:1]
CC[NH+](CCC(F)(F)F)Cc1noc(-c2ccoc2)n1 c1cc(co1)[*:1] CC[NH+](CCC(F)(F)F)Cc1noc(n1)[*:1]
NC(=O)Cc1ccccc1NC(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 NC(=O)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)Nc1ccccc1C[*:1]
NC(=O)Cc1ccccc1NC(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 NC(=O)C[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)Nc1ccccc1[*:1]
O=C(NNC(=S)NC[C@H]1CCCO1)c1ccn(-c2ccccc2F)n1 C1CO[C@H](C1)C[*:1] O=C(NNC(=S)N[*:1])c1ccn(n1)-c1ccccc1F
O=C(NNC(=S)NC[C@H]1CCCO1)c1ccn(-c2ccccc2F)n1 C1CO[C@H](C1)[*:1] O=C(NNC(=S)NC[*:1])c1ccn(n1)-c1ccccc1F
O=C(NNC(=S)NC[C@H]1CCCO1)c1ccn(-c2ccccc2F)n1 Fc1ccccc1[*:1] O=C(NNC(=S)NC[C@H]1CCCO1)c1ccn(n1)[*:1]
CC(C)(C)c1ccc(C(=O)C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)cc1 CC(C)(C)[*:1] O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)C(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)(C)c1ccc(cc1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
Cc1cc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)no1 Cc1cc(no1)[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)N[*:1]
Cc1cc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)no1 c1ccc(nc1)[*:1] Cc1cc(no1)NC(=O)N[C@H](c1ccccc1)[*:1]
Cc1cc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)N[C@H](c1ccccn1)[*:1]
Cc1ccc2nc([C@@H]3CCCN3C(=O)NC[C@@H](C)C(=O)OC(C)C)[nH]c2c1 CC(C)OC(=O)[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)NC[C@@H](C)[*:1]
Cc1ccc2nc([C@@H]3CCCN3C(=O)NC[C@@H](C)C(=O)OC(C)C)[nH]c2c1 CC(C)OC(=O)[C@H](C)[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)NC[*:1]
Cc1ccc2nc([C@@H]3CCCN3C(=O)NC[C@@H](C)C(=O)OC(C)C)[nH]c2c1 CC(C)[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)NC[C@@H](C)C(=O)O[*:1]
Cc1ccc2nc([C@@H]3CCCN3C(=O)NC[C@@H](C)C(=O)OC(C)C)[nH]c2c1 CC(C)OC(=O)[C@H](C)C[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)N[*:1]
CCCCNC(=O)c1cnn([C@@H](C)C(=O)[O-])c1 O=C([O-])[*:1] CCCCNC(=O)c1cnn(c1)[C@@H](C)[*:1]
CCCCNC(=O)c1cnn([C@@H](C)C(=O)[O-])c1 CCC[*:1] C[C@@H](C(=O)[O-])n1cc(cn1)C(=O)NC[*:1]
CCCCNC(=O)c1cnn([C@@H](C)C(=O)[O-])c1 CCCC[*:1] C[C@@H](C(=O)[O-])n1cc(cn1)C(=O)N[*:1]
CCn1cc(Br)c(/C(C)=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)n1 CCn1cc(Br)c(n1)[*:1] CC(=NNC(=O)CC12CC3CC(CC(C3)C1)C2)[*:1]
O=C([O-])[C@H]1CSC2(CCCCC2)[NH2+]1 O=C([O-])[*:1] C1CCC2(CC1)[NH2+][C@H](CS2)[*:1]
CC(C)CC(=O)N1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 C1CO[C@@H](C1)[*:1] CC(C)CC(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
CC(C)CC(=O)N1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 CC(C)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)C[*:1])[C@@H]1CCCO1
CC(C)CC(=O)N1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 CC(C)C[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])[C@@H]1CCCO1
CSc1nnc(NC(=O)c2ccc(CN3CCOCC3)cc2)s1 C1CN(CCO1)C[*:1] CSc1nnc(NC(=O)c2ccc(cc2)[*:1])s1
CSc1nnc(NC(=O)c2ccc(CN3CCOCC3)cc2)s1 CSc1nnc(s1)[*:1] O=C(N[*:1])c1ccc(cc1)CN1CCOCC1
CSc1nnc(NC(=O)c2ccc(CN3CCOCC3)cc2)s1 C1CN(CCO1)[*:1] CSc1nnc(NC(=O)c2ccc(cc2)C[*:1])s1
C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCO[C@H](c2ccc(F)cc2)C1 c1csc(c1)[*:1] C[C@@H](C(=O)N1CCC[C@H]1[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCO[C@H](C1)[*:1]
C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1ncn(C)c1Cl c1csc(c1)C[*:1] C[C@@H](N(C)S(=O)(=O)c1ncn(C)c1Cl)[*:1]
C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1ncn(C)c1Cl c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)S(=O)(=O)c1ncn(C)c1Cl
Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 CS(=O)(=O)[*:1] Cc1ccc2nc(sc2c1)N(Cc1ccccn1)C(=O)c1cccc(c1)[*:1]
Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 CS(=O)(=O)c1cccc(c1)[*:1] Cc1ccc2nc(sc2c1)N(Cc1ccccn1)C(=O)[*:1]
Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N(Cc1ccccn1)[*:1]
Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 c1ccc(C[*:1])nc1 Cc1ccc2nc(sc2c1)N(C(=O)c1cccc(c1)S(C)(=O)=O)[*:1]
Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 c1ccc(nc1)[*:1] Cc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1cccc(c1)S(C)(=O)=O
CCOc1cc(CNC(=O)c2nnn(-c3ccc(C)c(F)c3)c2C)ccc1OC Cc1ccc(cc1F)[*:1] CCOc1cc(ccc1OC)CNC(=O)c1nnn(c1C)[*:1]
CCOc1cc(CNC(=O)c2nnn(-c3ccc(C)c(F)c3)c2C)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])CNC(=O)c1nnn(-c2ccc(C)c(F)c2)c1C
COc1ccc(-n2c(=O)c3ccccc3n3c(SC)nnc23)cc1 COc1ccc(cc1)[*:1] CSc1nnc2n(c(=O)c3ccccc3n12)[*:1]
CCc1cnc(CN(C)C(=O)[C@@H](C)Sc2ccc(Cl)cc2)s1 CCc1cnc(s1)[*:1] C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)C[*:1]
CCc1cnc(CN(C)C(=O)[C@@H](C)Sc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCc1cnc(CN(C)C(=O)[C@@H](C)S[*:1])s1
C[C@@H](c1ccccc1F)S(=O)(=O)c1ccc2ccccc2n1 Fc1ccccc1[*:1] C[C@@H](S(=O)(=O)c1ccc2ccccc2n1)[*:1]
C[C@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)O[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
C[C@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc(cc1)O[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
C[C@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](Oc1ccc(cc1)Oc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@H](Oc1ccc(cc1)Oc1ccccc1)C(=O)N[*:1]
O=C(CCC(=O)c1ccc(Cl)s1)NN1CCOCC1 Clc1ccc(s1)[*:1] O=C(CCC(=O)[*:1])NN1CCOCC1
C[C@@H](Cl)C[C@@H](C)c1cc(Br)ccc1F C[C@@H](Cl)C[*:1] C[C@@H](c1cc(Br)ccc1F)[*:1]
C[C@@H](Cl)C[C@@H](C)c1cc(Br)ccc1F C[C@@H](Cl)[*:1] C[C@H](C[*:1])c1cc(Br)ccc1F
CCOc1ccc(NC(=O)N[C@@](C)(CO)C2CC2)cc1Cl C1CC1[*:1] CCOc1ccc(cc1Cl)NC(=O)N[C@@](C)(CO)[*:1]
CCOc1ccc(NC(=O)N[C@@](C)(CO)C2CC2)cc1Cl CCO[*:1] C[C@@](CO)(NC(=O)Nc1ccc(c(Cl)c1)[*:1])C1CC1
C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1)CSc1ccccc1 c1ccc(cc1)S[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1)C[*:1]
C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1)CSc1ccccc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)C(=O)N[*:1])CSc1ccccc1
C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1)CSc1ccccc1 c1ccc(cc1)SC[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1)[*:1]
C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1)CSc1ccccc1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1)CS[*:1]
Cc1cccc(-c2c([O-])[nH]c([C@H]3CCCOC3)nc2=O)c1 C1COC[C@H](C1)[*:1] Cc1cccc(c1)-c1c([O-])[nH]c(nc1=O)[*:1]
Cc1cccc(-c2c([O-])[nH]c([C@H]3CCCOC3)nc2=O)c1 Cc1cccc(c1)[*:1] O=c1nc([nH]c([O-])c1[*:1])[C@H]1CCCOC1
CCOC[C@@H](O)C[C@H]1C[C@H](C(C)(C)C)CCC1=O CC(C)(C)[*:1] CCOC[C@@H](O)C[C@H]1C[C@H](CCC1=O)[*:1]
CCOC[C@@H](O)C[C@H]1C[C@H](C(C)(C)C)CCC1=O CCO[*:1] CC(C)(C)[C@@H]1CCC(=O)[C@@H](C[C@H](O)C[*:1])C1
CCOC[C@@H](O)C[C@H]1C[C@H](C(C)(C)C)CCC1=O CCOC[C@@H](O)[*:1] CC(C)(C)[C@@H]1CCC(=O)[C@H](C1)C[*:1]
CCOC[C@@H](O)C[C@H]1C[C@H](C(C)(C)C)CCC1=O CCOC[*:1] CC(C)(C)[C@@H]1CCC(=O)[C@@H](C[C@H](O)[*:1])C1
C[C@H]1CC(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)C[C@H](C)O1 CN(C)C(=O)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1cc(ccc1Cl)[*:1]
C[C@H](N[C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)N1CCc2ccccc21 c1cc(ccn1)[*:1] C[C@H](N[C@@H](C)c1ccc(cc1)[*:1])C(=O)N1CCc2ccccc21
CC/[NH+]=C(/NCc1noc(C)n1)N[C@@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC/[NH+]=C(/NCc1noc(C)n1)N[C@@H](C)[*:1]
CC/[NH+]=C(/NCc1noc(C)n1)N[C@@H](C)c1ccc(Cl)cc1 Cc1nc(no1)[*:1] CC/[NH+]=C(/NC[*:1])N[C@@H](C)c1ccc(Cl)cc1
CC/[NH+]=C(/NCc1noc(C)n1)N[C@@H](C)c1ccc(Cl)cc1 Cc1nc(C[*:1])no1 CC/[NH+]=C(\N[C@@H](C)c1ccc(Cl)cc1)N[*:1]
O=C(Cn1cnc2ccccc2c1=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1cnc(s1)[*:1]
C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CN(C2CC2)CCO1 c1coc(c1)C[*:1] C[C@@H](C[*:1])[NH2+]C[C@H]1CN(CCO1)C1CC1
C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CN(C2CC2)CCO1 c1coc(c1)[*:1] C[C@@H](CC[*:1])[NH2+]C[C@H]1CN(CCO1)C1CC1
C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CN(C2CC2)CCO1 C1CC1[*:1] C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CN(CCO1)[*:1]
CCc1nn(C)c(N(C)CCCc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N(C)CCC[*:1]
CCc1nn(C)c(N(C)CCCc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)C[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N(C)CC[*:1]
CCc1nn(C)c(N(C)CCCc2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(c1[*:1])N(C)CCCc1ccccc1
c1nc(N2CCOCC2)ncc1CNC[C@H]1CN2CCCC[C@@H]2CO1 C1CN(CCO1)[*:1] c1nc(ncc1CNC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
COc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)no2)cc1OC Clc1ccccc1C[*:1] COc1ccc(cc1OC)-c1cc(no1)C(=O)N[*:1]
COc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)no2)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)-c1cc(no1)C(=O)NC[*:1]
Cc1nc(CN(C)C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cs1 Cc1nc(cs1)C[*:1] CN(C(=O)NC1CCN(CC1)S(=O)(=O)C1CC1)[*:1]
Cc1nc(CN(C)C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cs1 C1CC1[*:1] Cc1nc(cs1)CN(C)C(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
Cc1nc(CN(C)C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cs1 Cc1nc(cs1)[*:1] CN(C[*:1])C(=O)NC1CCN(CC1)S(=O)(=O)C1CC1
Cc1cc(C[S@@](=O)[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)on1 Cc1cc(on1)[*:1] C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)[S@](=O)C[*:1]
Cc1cc(C[S@@](=O)[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)on1 Cc1cc(C[*:1])on1 C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)[S@](=O)[*:1]
COc1ccc2c(ccc[n+]2[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1ccc2c(ccc[n+]2[C@@H](C)C(=O)N[*:1])c1
CC1(C)CN(C(=O)CCc2ccc(OC(F)F)cc2)CC[S@]1=O FC(F)[*:1] CC1(C)CN(CC[S@]1=O)C(=O)CCc1ccc(cc1)O[*:1]
CC1(C)CN(C(=O)CCc2ccc(OC(F)F)cc2)CC[S@]1=O FC(F)O[*:1] CC1(C)CN(CC[S@]1=O)C(=O)CCc1ccc(cc1)[*:1]
C[C@H](NC(=O)Cc1ccon1)C1(N2CCOCC2)CCCC1 c1cc(C[*:1])no1 C[C@H](NC(=O)[*:1])C1(CCCC1)N1CCOCC1
C[C@H](NC(=O)Cc1ccon1)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] C[C@H](NC(=O)Cc1ccon1)C1(CCCC1)[*:1]
C[C@H](NC(=O)Cc1ccon1)C1(N2CCOCC2)CCCC1 c1cc(no1)[*:1] C[C@H](NC(=O)C[*:1])C1(CCCC1)N1CCOCC1
CCCC[C@H](NS(=O)(=O)c1ccc(Br)c(C)c1)C(=O)[O-] CCCC[*:1] Cc1cc(ccc1Br)S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
CCCC[C@H](NS(=O)(=O)c1ccc(Br)c(C)c1)C(=O)[O-] O=C([O-])[*:1] CCCC[C@H](NS(=O)(=O)c1ccc(Br)c(C)c1)[*:1]
CCCC[C@H](NS(=O)(=O)c1ccc(Br)c(C)c1)C(=O)[O-] CCC[*:1] Cc1cc(ccc1Br)S(=O)(=O)N[C@@H](C[*:1])C(=O)[O-]
CC[C@@H]1CC(=O)N(Cc2ccc(OC)c(C#CCO)c2)C1 OCC#C[*:1] CC[C@@H]1CC(=O)N(Cc2ccc(OC)c(c2)[*:1])C1
Cc1c(CCC(=O)NC2CC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 C1CC1[*:1] Cc1c(CCC(=O)N[*:1])c(=O)oc2cc3oc4CCCCc4c3cc12
Cc1c(CCC(=O)NC2CC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 O=C(CC[*:1])NC1CC1 Cc1c(c(=O)oc2cc3oc4CCCCc4c3cc12)[*:1]
Cc1c(CCC(=O)NC2CC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 O=C(C[*:1])NC1CC1 Cc1c(C[*:1])c(=O)oc2cc3oc4CCCCc4c3cc12
Cc1c(CCC(=O)NC2CC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 O=C(NC1CC1)[*:1] Cc1c(CC[*:1])c(=O)oc2cc3oc4CCCCc4c3cc12
COc1cc(C)c(N)cc1S(=O)(=O)NCc1nc(C)no1 Cc1noc(n1)[*:1] COc1cc(C)c(N)cc1S(=O)(=O)NC[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)NCc1nc(C)no1 Cc1noc(C[*:1])n1 COc1cc(C)c(N)cc1S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)N(C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)[*:1]
c1ccc(-c2nc(CN3CCC([NH+]4CCCC4)CC3)no2)cc1 c1ccc(cc1)[*:1] C1CC[NH+](C1)C1CCN(CC1)Cc1noc(n1)[*:1]
Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CCC(C)C)c1 CC(C)CC[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)c1nc2ccccc2n1[*:1]
Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CCC(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)c1nc2ccccc2n1CC[*:1]
Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CCC(C)C)c1 Cc1cccc(c1)[*:1] CC(C)CCn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CCC(C)C)c1 CC(C)C[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)c1nc2ccccc2n1C[*:1]
c1ccc(-c2ccc(Cc3nn4c(-c5cccnc5)nnc4s3)cc2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)-c1ccc(cc1)Cc1nn2c(nnc2s1)[*:1]
c1ccc(-c2ccc(Cc3nn4c(-c5cccnc5)nnc4s3)cc2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)-c1nnc2sc(Cc3ccc(cc3)[*:1])nn12
C[C@@H]1C[C@H]1C(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)S[*:1] C[C@@H]1C[C@H]1C(=O)Nc1ccccc1[*:1]
C[C@@H]1C[C@H]1C(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)[*:1] C[C@@H]1C[C@H]1C(=O)Nc1ccccc1S[*:1]
CCC[NH2+][C@@H](Cc1ncccc1C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCC[NH2+][C@@H](Cc1ncccc1C)C[*:1]
CCC[NH2+][C@@H](Cc1ncccc1C)CS(C)(=O)=O CCC[*:1] Cc1cccnc1C[C@@H](CS(C)(=O)=O)[NH2+][*:1]
CCC[NH2+][C@@H](Cc1ncccc1C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCC[NH2+][C@@H](Cc1ncccc1C)[*:1]
O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 C1CC(C1)[*:1] O=C(c1ccc2ccccc2n1)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 C1CC(C1)C[*:1] O=C(c1ccc2ccccc2n1)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
CC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(Br)cc1N CC[C@H](C)[*:1] C[C@@H](Sc1ccc(Br)cc1N)C(=O)N[*:1]
CCCc1cc(NC(=O)c2ccc(Cl)nc2Cl)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)c1ccc(Cl)nc1Cl)[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)C[NH+](C)C1CC1 CC(C)[*:1] C[NH+](CC(=O)Nc1ccccc1C(=O)N[*:1])C1CC1
CC(C)NC(=O)c1ccccc1NC(=O)C[NH+](C)C1CC1 CC(C)NC(=O)[*:1] C[NH+](CC(=O)Nc1ccccc1[*:1])C1CC1
Cc1ccc2nc(NC(=O)C[NH+](C)Cc3ccccc3)sc2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(NC(=O)C[NH+](C)C[*:1])sc2c1
Cc1ccc2nc(NC(=O)C[NH+](C)Cc3ccccc3)sc2c1 c1ccc(cc1)C[*:1] Cc1ccc2nc(NC(=O)C[NH+](C)[*:1])sc2c1
CCOc1c(CN2CCc3ncnc(OC)c3C2)c(C)nn1CC(C)C CC(C)[*:1] CCOc1c(CN2CCc3ncnc(OC)c3C2)c(C)nn1C[*:1]
CCOc1c(CN2CCc3ncnc(OC)c3C2)c(C)nn1CC(C)C CCO[*:1] COc1ncnc2CCN(Cc21)Cc1c(C)nn(CC(C)C)c1[*:1]
CCOc1c(CN2CCc3ncnc(OC)c3C2)c(C)nn1CC(C)C CC(C)C[*:1] CCOc1c(CN2CCc3ncnc(OC)c3C2)c(C)nn1[*:1]
O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)c1ccccc1[*:1]
O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1C(=O)c1ccccc1 c1nnnn1[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1C(=O)c1ccccc1
O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)c1ccccc1C(=O)[*:1]
O=C(NCc1cscn1)[C@@H]1CCCN1C(=O)c1ccccn1 c1ccc(nc1)[*:1] O=C(NCc1cscn1)[C@@H]1CCCN1C(=O)[*:1]
O=C(NCc1cscn1)[C@@H]1CCCN1C(=O)c1ccccn1 c1nc(cs1)C[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
O=C(NCc1cscn1)[C@@H]1CCCN1C(=O)c1ccccn1 c1nc(cs1)[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3nnc(C(F)(F)F)s3)c12 CC(C)[*:1] Cc1nn(c2nc(cc(C(=O)Nc3nnc(s3)C(F)(F)F)c12)[*:1])C(C)(C)C
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3nnc(C(F)(F)F)s3)c12 FC(F)(F)[*:1] Cc1nn(c2nc(cc(C(=O)Nc3nnc(s3)[*:1])c12)C(C)C)C(C)(C)C
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3nnc(C(F)(F)F)s3)c12 CC(C)(C)[*:1] Cc1nn(c2nc(cc(C(=O)Nc3nnc(s3)C(F)(F)F)c12)C(C)C)[*:1]
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3nnc(C(F)(F)F)s3)c12 FC(F)(F)c1nnc(s1)[*:1] Cc1nn(c2nc(cc(C(=O)N[*:1])c12)C(C)C)C(C)(C)C
Cc1cc(NC(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2Cc2ccccc2)no1 Cc1cc(no1)NC(=O)CS[*:1] O=c1c2cc(ccc2nc(n1Cc1ccccc1)[*:1])N1CCOCC1
Cc1cc(NC(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2Cc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CSc1nc2ccc(cc2c(=O)n1C[*:1])N1CCOCC1
Cc1cc(NC(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2Cc2ccccc2)no1 Cc1cc(no1)NC(=O)C[*:1] O=c1c2cc(ccc2nc(S[*:1])n1Cc1ccccc1)N1CCOCC1
Cc1cc(NC(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2Cc2ccccc2)no1 Cc1cc(no1)NC(=O)[*:1] O=c1c2cc(ccc2nc(SC[*:1])n1Cc1ccccc1)N1CCOCC1
Cc1cc(NC(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2Cc2ccccc2)no1 C1CN(CCO1)[*:1] Cc1cc(no1)NC(=O)CSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)[*:1]
Cc1cc(NC(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2Cc2ccccc2)no1 c1ccc(cc1)C[*:1] Cc1cc(no1)NC(=O)CSc1nc2ccc(cc2c(=O)n1[*:1])N1CCOCC1
Cc1cc(NC(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2Cc2ccccc2)no1 Cc1cc(no1)[*:1] O=C(CSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)N1CCOCC1)N[*:1]
Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccccc3)c(NC(=O)c3cccc(F)c3)cc21 O=C(N[*:1])c1cccc(F)c1 Cn1c(=O)n(C)c2cc(c(cc21)S(=O)(=O)c1ccccc1)[*:1]
Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccccc3)c(NC(=O)c3cccc(F)c3)cc21 O=S(=O)(c1ccccc1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)c1cccc(F)c1)[*:1]
Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccccc3)c(NC(=O)c3cccc(F)c3)cc21 Fc1cccc(c1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)[*:1])S(=O)(=O)c1ccccc1
Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccccc3)c(NC(=O)c3cccc(F)c3)cc21 c1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)c1cccc(F)c1)S(=O)(=O)[*:1]
Cc1cccc(N2CCN(C(=O)C3CCN(C(=O)c4cc5sccc5n4C)CC3)C[C@H]2C)c1 Cc1cccc(c1)[*:1] C[C@@H]1CN(CCN1[*:1])C(=O)C1CCN(CC1)C(=O)c1cc2sccc2n1C
Cc1cccc(N2CCN(C(=O)C3CCN(C(=O)c4cc5sccc5n4C)CC3)C[C@H]2C)c1 Cn1c(cc2sccc21)[*:1] Cc1cccc(c1)N1CCN(C[C@H]1C)C(=O)C1CCN(CC1)C(=O)[*:1]
Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1nc2cc(ccc2n1C1CCN(CC1)C(=O)[*:1])C(F)(F)F
Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2ccccc2F)CC1 FC(F)(F)[*:1] Cc1nc2cc(ccc2n1C1CCN(CC1)C(=O)c1ccccc1F)[*:1]
COCCN[C@H](C(=O)OC)c1ccc(Br)cc1 COC(=O)[*:1] COCCN[C@H](c1ccc(Br)cc1)[*:1]
COCCN[C@H](C(=O)OC)c1ccc(Br)cc1 COCC[*:1] COC(=O)[C@@H](N[*:1])c1ccc(Br)cc1
COCCN[C@H](C(=O)OC)c1ccc(Br)cc1 COC[*:1] COC(=O)[C@@H](NC[*:1])c1ccc(Br)cc1
COCCN[C@H](C(=O)OC)c1ccc(Br)cc1 COCCN[*:1] COC(=O)[C@H](c1ccc(Br)cc1)[*:1]
CCCc1cc(NC(=O)N2CCOC[C@H]2C2CC2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)N1CCOC[C@H]1C1CC1)[*:1]
CCCc1cc(NC(=O)N2CCOC[C@H]2C2CC2)n(C)n1 C1CC1[*:1] CCCc1cc(NC(=O)N2CCOC[C@@H]2[*:1])n(C)n1
O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CC(=O)N(C1)[*:1]
Cc1nn(CCC(=O)Nc2cccc(Br)c2)c(C)c1S(=O)(=O)N1CCCCC1 Brc1cccc(c1)[*:1] Cc1nn(CCC(=O)N[*:1])c(C)c1S(=O)(=O)N1CCCCC1
Cc1nn(CCC(=O)Nc2cccc(Br)c2)c(C)c1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1nn(CCC(=O)Nc2cccc(Br)c2)c(C)c1[*:1]
Cc1noc(C)c1CNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 Cc1noc(C)c1[*:1] O=C(NC[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
Cc1noc(C)c1CNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 Cc1noc(C)c1C[*:1] O=C(N[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(Nc1nc(cs1)C[*:1])c1ccc2OCOc2c1
O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccc2OCOc2c1)N[*:1]
O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NC1CCCCC1 c1cc2OCOc2cc1[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])NC1CCCCC1
CC(C)[C@@H](CC[NH3+])CCc1nc(-c2ccc(F)cn2)no1 CC(C)[*:1] [NH3+]CC[C@@H](CCc1nc(no1)-c1ccc(F)cn1)[*:1]
CC(C)[C@@H](CC[NH3+])CCc1nc(-c2ccc(F)cn2)no1 Fc1ccc(nc1)[*:1] CC(C)[C@@H](CC[NH3+])CCc1nc(no1)[*:1]
CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N3)C1 O=[N+]([O-])[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc1N[C@@H](NC(=O)c12)c1ccc(O)c(c1)[*:1]
CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N3)C1 CC(C)(C)[*:1] O=C1N[C@H](Nc2sc3C[C@H](CCc3c21)[*:1])c1ccc(O)c(c1)[N+](=O)[O-]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)N[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCc2ccccc2)n1 Cc1cc(F)ccc1[*:1] O=C(NCc1ccccc1)c1nn(cc1[O-])[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)NC[*:1]
COc1ccc(/C=N/NC(=O)COc2ccccc2C(C)C)cc1 CC(C)[*:1] COc1ccc(/C=N/NC(=O)COc2ccccc2[*:1])cc1
COc1ccc(/C=N/NC(=O)COc2ccccc2C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)c1ccccc1OCC(=O)NN=C[*:1]
COC[C@@H](C)C[NH2+][C@H](C)c1cc(F)c(C)cc1F COC[C@@H](C)[*:1] Cc1cc(F)c(cc1F)[C@@H](C)[NH2+]C[*:1]
COC[C@@H](C)C[NH2+][C@H](C)c1cc(F)c(C)cc1F COC[*:1] Cc1cc(F)c(cc1F)[C@@H](C)[NH2+]C[C@H](C)[*:1]
CCc1nc2c(N3CCC[C@]4(CCC(=O)N(C(C)C)C4)C3)ncnc2o1 CC(C)[*:1] CCc1nc2c(ncnc2o1)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
CN(C)C(=O)CCc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 CN(C)C(=O)CC[*:1] CC(C)(C)C(=O)NC(=S)Nc1ccc(cc1)[*:1]
CN(C)C(=O)CCc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] CN(C)C(=O)CCc1ccc(cc1)NC(=S)NC(=O)[*:1]
CN(C)C(=O)CCc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 CN(C)C(=O)[*:1] CC(C)(C)C(=O)NC(=S)Nc1ccc(cc1)CC[*:1]
CN(C)C(=O)CCc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 CN(C)C(=O)C[*:1] CC(C)(C)C(=O)NC(=S)Nc1ccc(cc1)C[*:1]
C=CCN(Cc1cccc(OC)c1)Cc1[nH]cc[nH+]1 C=CC[*:1] COc1cccc(c1)CN(Cc1[nH]cc[nH+]1)[*:1]
CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] CCS(=O)(=O)[N-]c1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
Cc1csc([C@@H](C)NC(=O)NCCCc2c(C)noc2C)n1 Cc1noc(C)c1[*:1] Cc1csc(n1)[C@@H](C)NC(=O)NCCC[*:1]
Cc1csc([C@@H](C)NC(=O)NCCCc2c(C)noc2C)n1 Cc1csc(n1)[*:1] Cc1noc(C)c1CCCNC(=O)N[C@H](C)[*:1]
CCN(CCC1OCCCO1)c1cccc(C)c1 C1COC(OC1)[*:1] CCN(CC[*:1])c1cccc(C)c1
CCc1nn(C)cc1C/[NH+]=C(/N)NC1CCCCC1 C1CCC(CC1)[*:1] CCc1nn(C)cc1C/[NH+]=C(/N)N[*:1]
CCOC(=O)C1=C(C)C(C(=O)NCCc2ccc(Br)s2)=N[C@H]1C Brc1ccc(s1)[*:1] CCOC(=O)C1=C(C)C(=N[C@H]1C)C(=O)NCC[*:1]
CCOC(=O)C1=C(C)C(C(=O)NCCc2ccc(Br)s2)=N[C@H]1C CCOC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)NCCc1ccc(Br)s1
CCOC(=O)C1=C(C)C(C(=O)NCCc2ccc(Br)s2)=N[C@H]1C Brc1ccc(C[*:1])s1 CCOC(=O)C1=C(C)C(=N[C@H]1C)C(=O)NC[*:1]
CCOCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)Cc2ccncn2)[C@@H]3C1=O c1cc(C[*:1])ncn1 CCOCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)[*:1])[C@@H]3C1=O
CCOCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)Cc2ccncn2)[C@@H]3C1=O CCOC[*:1] CN(Cc1ccncn1)C(=O)[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)C[*:1]
CCOCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)Cc2ccncn2)[C@@H]3C1=O CCO[*:1] CN(Cc1ccncn1)C(=O)[C@H]1[C@@H]2C(=O)N(CC[*:1])C[C@]23C=C[C@H]1O3
CCOCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)Cc2ccncn2)[C@@H]3C1=O c1cc(ncn1)[*:1] CCOCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)C[*:1])[C@@H]3C1=O
CCOCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)Cc2ccncn2)[C@@H]3C1=O CCOCC[*:1] CN(Cc1ccncn1)C(=O)[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)C(=O)[O-])cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N([C@H](C)C(=O)[O-])[*:1]
Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1ccccc1)[C@H](C)[*:1]
CCc1ccc2nc(SCC(=O)Nc3ccccc3N3CCOCC3)c(C#N)cc2c1 C1CN(CCO1)[*:1] CCc1ccc2nc(SCC(=O)Nc3ccccc3[*:1])c(C#N)cc2c1
Cc1c(C(=O)Nc2cc3c(cc2Cl)OCCO3)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cc2OCCOc2cc1Cl
O=C(NC1CCCCCC1)C1CN(C(=O)c2cnccn2)C1 C1CCCC(CC1)[*:1] O=C(N[*:1])C1CN(C1)C(=O)c1cnccn1
O=C(NC1CCCCCC1)C1CN(C(=O)c2cnccn2)C1 c1cnc(cn1)[*:1] O=C(NC1CCCCCC1)C1CN(C1)C(=O)[*:1]
CCn1c(=O)oc2cc(S(=O)(=O)N3CCCCC[C@H]3c3c(Cl)cnn3C)ccc21 Cn1ncc(Cl)c1[*:1] CCn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCCCC[C@@H]1[*:1]
O=C(Nc1ccc(Br)cc1O)[C@H]1C[C@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(Br)cc1O)[C@H]1C[C@@H]1[*:1]
C[C@@H](Cn1ccnc1)NS(=O)(=O)c1ccc(F)cc1 c1cn(cn1)[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1ccc(F)cc1
C[C@@H](Cn1ccnc1)NS(=O)(=O)c1ccc(F)cc1 c1cn(cn1)C[*:1] C[C@@H](NS(=O)(=O)c1ccc(F)cc1)[*:1]
CC(C)[C@H](C)S(=O)(=O)CC(=O)N[C@H](C)C(C)C CC(C)[C@H](C)[*:1] CC(C)[C@@H](C)NC(=O)CS(=O)(=O)[*:1]
CC(C)[C@H](C)S(=O)(=O)CC(=O)N[C@H](C)C(C)C CC(C)[*:1] CC(C)[C@H](C)S(=O)(=O)CC(=O)N[C@H](C)[*:1]
CC(C)[C@H](C)S(=O)(=O)CC(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CC(C)[C@H](C)S(=O)(=O)CC(=O)N[*:1]
CC(C)[C@H](C)S(=O)(=O)CC(=O)N[C@H](C)C(C)C CC(C)[*:1] CC(C)[C@@H](C)NC(=O)CS(=O)(=O)[C@@H](C)[*:1]
C[C@@H]1C[C@H](NC(=O)c2cccc(-n3cccn3)c2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)c1cccc(c1)-n1cccn1
C[C@@H]1C[C@H](NC(=O)c2cccc(-n3cccn3)c2)CN1c1ccccc1 c1cnn(c1)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)c1cccc(c1)[*:1]
Cc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1C Oc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)CSc1nnc(c(n1)-c1ccc(O)cc1)[*:1]
Cc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1C Cc1ccc(cc1C)C(=O)[*:1] Oc1ccc(cc1)-c1nnc(nc1-c1ccc(O)cc1)SC[*:1]
Cc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1C Cc1ccc(cc1C)[*:1] O=C(CSc1nnc(-c2ccc(O)cc2)c(n1)-c1ccc(O)cc1)[*:1]
Cc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1C Oc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)CSc1nnc(-c2ccc(O)cc2)c(n1)[*:1]
CC(C)(C)[C@H](NC(=O)C=C1CCSCC1)c1ccc(F)cc1 CC(C)(C)[*:1] O=C(C=C1CCSCC1)N[C@H](c1ccc(F)cc1)[*:1]
CC(C)(C)[C@H](NC(=O)C=C1CCSCC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)[C@H](NC(=O)C=C1CCSCC1)[*:1]
CC[C@@H](CCO)CNC(=O)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CC[C@@H](CCO)CNC(=O)c1ccc(cc1)[*:1]
CC[C@@H](CCO)CNC(=O)c1ccc(-n2cccn2)cc1 CC[C@@H](CCO)C[*:1] O=C(N[*:1])c1ccc(cc1)-n1cccn1
CC[C@@H](CCO)CNC(=O)c1ccc(-n2cccn2)cc1 OCC[*:1] CC[C@@H](CNC(=O)c1ccc(cc1)-n1cccn1)[*:1]
O=[S@@](Cc1cccc2ccccc12)Cc1nccn1CC(F)(F)F FC(F)(F)[*:1] O=[S@@](Cc1cccc2ccccc12)Cc1nccn1C[*:1]
O=[S@@](Cc1cccc2ccccc12)Cc1nccn1CC(F)(F)F FC(F)(F)C[*:1] O=[S@@](Cc1cccc2ccccc12)Cc1nccn1[*:1]
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NCc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(/C=C/c1cn(nc1-c1cccnc1)[*:1])NCc1ccc2OCOc2c1
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NCc1ccc2c(c1)OCO2 c1cncc(c1)[*:1] O=C(/C=C/c1cn(nc1[*:1])-c1ccccc1)NCc1ccc2OCOc2c1
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C(/C=C/c1cn(nc1-c1cccnc1)-c1ccccc1)N[*:1]
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(/C=C/c1cn(nc1-c1cccnc1)-c1ccccc1)NC[*:1]
O=C(C#Cc1ccccc1)NCc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(C#C[*:1])NCc1ccc(F)cc1
Cc1cccc(/C=c2/sc3nnc(-c4ccccc4Cl)n3c2=O)c1 Clc1ccccc1[*:1] Cc1cccc(/C=c2/sc3nnc(n3c2=O)[*:1])c1
Cc1cccc(/C=c2/sc3nnc(-c4ccccc4Cl)n3c2=O)c1 Cc1cccc(c1)[*:1] O=c1c(=C[*:1])sc2nnc(-c3ccccc3Cl)n12
CC(=O)N1CC[C@@H]1c1cc(NCCn2nccc2C)nc(C)[nH+]1 Cc1ccnn1[*:1] CC(=O)N1CC[C@@H]1c1cc(nc(C)[nH+]1)NCC[*:1]
CC(=O)N1CC[C@@H]1c1cc(NCCn2nccc2C)nc(C)[nH+]1 Cc1ccnn1C[*:1] CC(=O)N1CC[C@@H]1c1cc(nc(C)[nH+]1)NC[*:1]
CCc1ccc(CN(C)C(=O)C(=O)Nc2cc(Cl)ccc2F)cc1 Fc1ccc(Cl)cc1[*:1] CCc1ccc(cc1)CN(C)C(=O)C(=O)N[*:1]
CCc1ccc(CN(C)C(=O)C(=O)Nc2cc(Cl)ccc2F)cc1 CCc1ccc(cc1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1cc(Cl)ccc1F
N#C[C@@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] N#C[C@@H](c1ccc(F)cc1)c1ccc(cc1)[*:1]
N#C[C@@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 Fc1ccc(cc1)[*:1] N#C[C@@H](c1ccc(cc1)C(=O)c1ccccc1)[*:1]
N#C[C@@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#C[C@@H](c1ccc(F)cc1)c1ccc(cc1)C(=O)[*:1]
O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCc2ccccc2C1 Clc1ccc(s1)[*:1] O=C(c1cc(on1)[*:1])N1CCc2ccccc2C1
Cc1ccc(C)c(-n2ncc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)c2C)c1 CS(=O)(=O)C[*:1] Cc1ccc(C)c(c1)-n1ncc(c1C)[C@@H](C)[NH2+][C@@H](C)[*:1]
Cc1ccc(C)c(-n2ncc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)c2C)c1 CS(=O)(=O)[*:1] Cc1ccc(C)c(c1)-n1ncc(c1C)[C@@H](C)[NH2+][C@@H](C)C[*:1]
Cc1ccc(C)c(-n2ncc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O
O=C1CN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c2ccccc2N1 O=c1ccc(n[nH]1)[*:1] O=C1CN(c2ccccc2N1)S(=O)(=O)c1ccc(s1)[*:1]
CCOc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(Cc2cccnc2)C3)cc1 CCOc1ccc(cc1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)Cc1cccnc1)[*:1]
CCOc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(Cc2cccnc2)C3)cc1 c1cncc(c1)[*:1] CCOc1ccc(cc1)[C@@H]1NC(=O)N(C)C2CN(C[*:1])C(=O)C=21
CCOc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(Cc2cccnc2)C3)cc1 CCO[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)Cc1cccnc1)c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(Cc2cccnc2)C3)cc1 c1cncc(c1)C[*:1] CCOc1ccc(cc1)[C@@H]1NC(=O)N(C)C2CN(C(=O)C=21)[*:1]
CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCSc1nc2ccccc2o1 c1ccc2oc(nc2c1)[*:1] CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCS[*:1]
CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCSc1nc2ccccc2o1 CN(C)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2CCSc1nc2ccccc2o1)[*:1]
CCC[C@@H](C)CC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CCC[*:1] C[C@@H](CC(=O)N[C@@H]1CCN(C1=O)c1c(F)cccc1F)[*:1]
CCC[C@@H](C)CC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CCC[C@@H](C)[*:1] O=C(C[*:1])N[C@@H]1CCN(C1=O)c1c(F)cccc1F
CCC[C@@H](C)CC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CCC[C@@H](C)C[*:1] O=C1[C@@H](CCN1c1c(F)cccc1F)NC(=O)[*:1]
COc1cc([C@@H]2CC(=O)OC3=c4ccccc4=[NH+]C(=O)[C@@H]32)ccc1OCc1ccc(F)cc1 Fc1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(=O)OC2=c3ccccc3=[NH+]C(=O)[C@@H]21
COc1cc([C@@H]2CC(=O)OC3=c4ccccc4=[NH+]C(=O)[C@@H]32)ccc1OCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1CC(=O)OC2=c3ccccc3=[NH+]C(=O)[C@@H]21
COc1cc([C@@H]2CC(=O)OC3=c4ccccc4=[NH+]C(=O)[C@@H]32)ccc1OCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1CC(=O)OC2=c3ccccc3=[NH+]C(=O)[C@@H]21
CCNC(=O)C1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2)CC1 CCNC(=O)[*:1] CC(C)C[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccccc1
CCNC(=O)C1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2)CC1 CC(C)[*:1] CCNC(=O)C1CCN(CC1)C(=O)N[C@H](C[*:1])c1ccccc1
CCNC(=O)C1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2)CC1 CC(C)C[*:1] CCNC(=O)C1CCN(CC1)C(=O)N[C@H](c1ccccc1)[*:1]
CCNC(=O)C1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCNC(=O)C1CCN(CC1)C(=O)N[C@H](CC(C)C)[*:1]
CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCCN3C(=O)COC(C)C)c2)CC1 CC(=O)N1CCN(CC1)[*:1] Cc1cc(cc([nH+]1)[C@H]1CCCN1C(=O)COC(C)C)[*:1]
CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCCN3C(=O)COC(C)C)c2)CC1 CC(C)O[*:1] CC(=O)N1CCN(CC1)c1cc(C)[nH+]c(c1)[C@H]1CCCN1C(=O)C[*:1]
CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCCN3C(=O)COC(C)C)c2)CC1 CC(C)OC[*:1] CC(=O)N1CCN(CC1)c1cc(C)[nH+]c(c1)[C@H]1CCCN1C(=O)[*:1]
CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCCN3C(=O)COC(C)C)c2)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)c1cc(C)[nH+]c(c1)[C@H]1CCCN1C(=O)CO[*:1]
Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1[C@@H](O)CC(C)(C)C2 O=[N+]([O-])[*:1] Cc1c(oc2CC(C)(C)C[C@H](O)c21)C(=O)Nc1cccc(c1)[*:1]
CCOC(=O)c1sc2ncnc(NC[C@](C)(O)c3ccco3)c2c1C CCOC(=O)[*:1] Cc1c(sc2ncnc(NC[C@](C)(O)c3ccco3)c12)[*:1]
CCOC(=O)c1sc2ncnc(NC[C@](C)(O)c3ccco3)c2c1C c1coc(c1)[*:1] CCOC(=O)c1sc2ncnc(NC[C@](C)(O)[*:1])c2c1C
NS(=O)(=O)c1cccc(NC(=O)COc2ncnc3sc4c(c23)CCC4)c1 NS(=O)(=O)[*:1] O=C(COc1ncnc2sc3CCCc3c12)Nc1cccc(c1)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] COc1ccc(cc1C(=O)N[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(O)CC1 O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)NC1CCC(O)CC1)[*:1]
C[NH+]1CCN(c2ccc(CNc3cccc[nH+]3)cn2)CC1 c1ccc(N[*:1])[nH+]c1 C[NH+]1CCN(CC1)c1ccc(cn1)C[*:1]
C[NH+]1CCN(c2ccc(CNc3cccc[nH+]3)cn2)CC1 C[NH+]1CCN(CC1)[*:1] c1ccc(NCc2ccc(nc2)[*:1])[nH+]c1
COCc1noc(-c2ccc(NC[C@@H]3CCCCO3)[nH+]c2)n1 COC[*:1] c1cc(NC[C@@H]2CCCCO2)[nH+]cc1-c1nc(no1)[*:1]
COCc1noc(-c2ccc(NC[C@@H]3CCCCO3)[nH+]c2)n1 C1CC[C@H](OC1)[*:1] COCc1noc(n1)-c1ccc(NC[*:1])[nH+]c1
COCc1noc(-c2ccc(NC[C@@H]3CCCCO3)[nH+]c2)n1 C1CC[C@@H](C[*:1])OC1 COCc1noc(n1)-c1ccc(N[*:1])[nH+]c1
Clc1cccc(C[NH2+]CCOc2ccccn2)c1Cl c1ccc(nc1)[*:1] Clc1cccc(C[NH2+]CCO[*:1])c1Cl
O=C([O-])[C@@H](Cc1cccc(F)c1)[C@H]1CCCCC[C@@H]1O O=C([O-])[*:1] O[C@H]1CCCCC[C@@H]1[C@H](Cc1cccc(F)c1)[*:1]
CC[C@H](C#N)OC(=O)c1csc2c1CC[C@H](C)C2 CC[C@H](C#N)[*:1] C[C@H]1CCc2c(csc2C1)C(=O)O[*:1]
CCCn1c(-c2nc(C(=O)NCc3cccn3C)cs2)cc2ccccc21 CCC[*:1] Cn1cccc1CNC(=O)c1csc(n1)-c1cc2ccccc2n1[*:1]
CCCn1c(-c2nc(C(=O)NCc3cccn3C)cs2)cc2ccccc21 Cn1cccc1C[*:1] CCCn1c(cc2ccccc21)-c1nc(cs1)C(=O)N[*:1]
CCCn1c(-c2nc(C(=O)NCc3cccn3C)cs2)cc2ccccc21 Cn1cccc1[*:1] CCCn1c(cc2ccccc21)-c1nc(cs1)C(=O)NC[*:1]
COc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)c1ccccc1Cl COc1ccccc1[*:1] C[C@H](C(=O)NC[*:1])S(=O)(=O)c1ccccc1Cl
COc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)c1ccccc1Cl Clc1ccccc1[*:1] COc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)[*:1]
CN(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)N/N=C/c1cccs1)S(=O)(=O)[*:1]
CN(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccccc1 c1csc(c1)[*:1] CN(CC(=O)NN=C[*:1])S(=O)(=O)c1ccccc1
O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 c1cncc(c1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1cccnc1)N1CCC[C@@H]1[*:1]
O=C(c1ccccc1F)c1ccccc1CN1CCC2(CC1)OCCO2 Fc1ccccc1[*:1] O=C(c1ccccc1CN1CCC2(CC1)OCCO2)[*:1]
C[C@H](Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] C[C@H](Oc1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)[*:1]
C[C@H](Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](Oc1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)C(=O)N[*:1]
COc1cc(OC)cc(C2(O)CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] COc1cc(cc(c1)C1(O)CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1])OC
Clc1ccc(-c2noc3ncnc(Nc4ccc5c(c4)OCCO5)c23)cc1 Clc1ccc(cc1)[*:1] c1nc(Nc2ccc3OCCOc3c2)c2c(noc2n1)[*:1]
CCOc1ccc(C(=O)NCC(=O)N(C)[C@@H](C)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCOc1ccc(cc1)C(=O)NCC(=O)N(C)[C@@H](C)[*:1]
CCOc1ccc(C(=O)NCC(=O)N(C)[C@@H](C)c2ccccc2Cl)cc1 CCO[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)CNC(=O)c1ccc(cc1)[*:1]
O=C(c1cc2c(s1)CCCC2)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(c1cc2CCCCc2s1)N1C[C@@H](O)C[C@@H]1[*:1]
CCCC(=O)[C@]1(C(=O)OCC)CCC[C@@H]1C CCC[*:1] CCOC(=O)[C@]1(CCC[C@@H]1C)C(=O)[*:1]
CCCC(=O)[C@]1(C(=O)OCC)CCC[C@@H]1C CCCC(=O)[*:1] CCOC(=O)[C@@]1(CCC[C@@H]1C)[*:1]
CCCC(=O)[C@]1(C(=O)OCC)CCC[C@@H]1C CCOC(=O)[*:1] CCCC(=O)[C@@]1(CCC[C@@H]1C)[*:1]
C=CCn1c(=O)oc2cc(NC(=O)Nc3ccc(F)cc3)ccc21 C=CC[*:1] O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)oc(=O)n2[*:1]
C=CCn1c(=O)oc2cc(NC(=O)Nc3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] C=CCn1c(=O)oc2cc(ccc21)NC(=O)N[*:1]
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 CC(C)S[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2c1ccsc1)c1nnc(s1)[*:1]
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 CC(C)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2c1ccsc1)c1nnc(S[*:1])s1
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 c1cc(cs1)[*:1] CC(C)Sc1nnc(s1)N1C(N)=C(C#N)[C@@H](C2C(=O)CC(C)(C)CC=21)[*:1]
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 CC(C)Sc1nnc(s1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2c1ccsc1)[*:1]
O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 Fc1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCc2ccccc21
CCc1c(C(=O)O[C@H](C)c2nc(C)no2)cnn1C(C)(C)C CC(C)(C)[*:1] CCc1c(cnn1[*:1])C(=O)O[C@H](C)c1nc(C)no1
CCc1c(C(=O)O[C@H](C)c2nc(C)no2)cnn1C(C)(C)C Cc1noc(n1)[*:1] CCc1c(cnn1C(C)(C)C)C(=O)O[C@H](C)[*:1]
CCc1nc2sc([C@H](c3cccs3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 c1csc(c1)[*:1] CCc1nc2sc(c([O-])n2n1)[C@H]([NH+]1C[C@@H](C)C[C@H](C)C1)[*:1]
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1n[nH]c2ccccc12 Brc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1n[nH]c2ccccc12
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1n[nH]c2ccccc12 Brc1cccc(c1)O[*:1] C[C@H](C(=O)NNC(=O)c1n[nH]c2ccccc12)[*:1]
COc1ccc(CCCN(C)C(=O)c2ncccc2C(F)(F)F)cc1 COc1ccc(cc1)[*:1] CN(CCC[*:1])C(=O)c1ncccc1C(F)(F)F
COc1ccc(CCCN(C)C(=O)c2ncccc2C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CCCN(C)C(=O)c1ncccc1[*:1]
O=C(C1CC[NH+](Cc2cnn3c2NCCC3)CC1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(C1CC[NH+](CC1)Cc1cnn2CCCNc12)N(C[*:1])C1CC1
O=C(C1CC[NH+](Cc2cnn3c2NCCC3)CC1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C(C1CC[NH+](CC1)Cc1cnn2CCCNc12)N(C1CC1)[*:1]
O=C(C1CC[NH+](Cc2cnn3c2NCCC3)CC1)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(C1CC[NH+](CC1)Cc1cnn2CCCNc12)N(Cc1ccccc1)[*:1]
CC(C)C(=O)NC(=S)NNC(=O)COc1ccccc1 CC(C)[*:1] O=C(COc1ccccc1)NNC(=S)NC(=O)[*:1]
CC(C)C(=O)NC(=S)NNC(=O)COc1ccccc1 c1ccc(cc1)[*:1] CC(C)C(=O)NC(=S)NNC(=O)CO[*:1]
O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccccc1 FC(F)(F)[*:1] O=C(Nc1nnc(o1)-c1ccc(cc1)[*:1])c1ccccc1
O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1ccc(cc1)C(F)(F)F)[*:1]
OCC(CO)(Cc1csc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] OCC(CO)(Cc1csc2ccccc12)[*:1]
CCCCc1nnc(S[C@@H](C)C(=O)Nc2cc(F)ccc2F)n1N CCCC[*:1] C[C@H](Sc1nnc(n1N)[*:1])C(=O)Nc1cc(F)ccc1F
CCCCc1nnc(S[C@@H](C)C(=O)Nc2cc(F)ccc2F)n1N CCC[*:1] C[C@H](Sc1nnc(C[*:1])n1N)C(=O)Nc1cc(F)ccc1F
CCCCc1nnc(S[C@@H](C)C(=O)Nc2cc(F)ccc2F)n1N Fc1ccc(F)c(c1)[*:1] CCCCc1nnc(S[C@@H](C)C(=O)N[*:1])n1N
C#CCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 C#CC[*:1] Cc1cc(ccc1Br)N1C[C@H](CC1=O)C(=O)N[*:1]
C#CCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 C#CCNC(=O)[*:1] Cc1cc(ccc1Br)N1C[C@H](CC1=O)[*:1]
C/C=C(/C)C(=O)Nc1ccc(-c2nccs2)cc1 CC=C(C)[*:1] O=C(Nc1ccc(cc1)-c1nccs1)[*:1]
C/C=C(/C)C(=O)Nc1ccc(-c2nccs2)cc1 c1csc(n1)[*:1] C/C=C(/C)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2ccnc(F)c2)C1 Fc1cc(ccn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)[*:1])C1
CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2ccnc(F)c2)C1 CC(C)(C)[*:1] O=C(NCC[C@@H]1CCCN(C1)C(=O)O[*:1])c1ccnc(F)c1
C=CCN(CCc1ccccc1)C(=O)c1cc(C#N)cs1 c1ccc(cc1)[*:1] C=CCN(CC[*:1])C(=O)c1cc(C#N)cs1
C=CCN(CCc1ccccc1)C(=O)c1cc(C#N)cs1 N#Cc1csc(c1)[*:1] C=CCN(CCc1ccccc1)C(=O)[*:1]
C=CCN(CCc1ccccc1)C(=O)c1cc(C#N)cs1 c1ccc(cc1)C[*:1] C=CCN(C[*:1])C(=O)c1cc(C#N)cs1
C=CCN(CCc1ccccc1)C(=O)c1cc(C#N)cs1 C=CC[*:1] N#Cc1csc(c1)C(=O)N(CCc1ccccc1)[*:1]
C[C@H]1CCc2c(C(=O)N3CCN(c4nccs4)CC3)csc2C1 c1csc(n1)[*:1] C[C@H]1CCc2c(csc2C1)C(=O)N1CCN(CC1)[*:1]
Cc1cc(OC(F)F)c(C(=O)Nc2ccccc2OC(F)F)s1 FC(F)[*:1] Cc1cc(O[*:1])c(s1)C(=O)Nc1ccccc1OC(F)F
Cc1cc(OC(F)F)c(C(=O)Nc2ccccc2OC(F)F)s1 FC(F)O[*:1] Cc1cc(c(s1)C(=O)Nc1ccccc1OC(F)F)[*:1]
Cc1cc(OC(F)F)c(C(=O)Nc2ccccc2OC(F)F)s1 FC(F)O[*:1] Cc1cc(OC(F)F)c(s1)C(=O)Nc1ccccc1[*:1]
Cc1cc(OC(F)F)c(C(=O)Nc2ccccc2OC(F)F)s1 FC(F)[*:1] Cc1cc(OC(F)F)c(s1)C(=O)Nc1ccccc1O[*:1]
Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCC(=O)O3)c(C)c2)c1 Cc1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCC(=O)O1)OC[*:1]
Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCC(=O)O3)c(C)c2)c1 Cc1cccc(c1)C[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCC(=O)O1)O[*:1]
C[C@@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] C[C@@H](SCc1nc(N)nc(n1)Nc1ccc(F)cc1)[*:1]
C[C@@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](SCc1nc(N)nc(n1)Nc1ccc(F)cc1)C(=O)N[*:1]
C[C@@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)NC1CCCCC1 Fc1ccc(cc1)N[*:1] C[C@@H](SCc1nc(N)nc(n1)[*:1])C(=O)NC1CCCCC1
C[C@@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)NC1CCCCC1 Fc1ccc(cc1)[*:1] C[C@@H](SCc1nc(N)nc(n1)N[*:1])C(=O)NC1CCCCC1
CCOC(=O)c1cccc(NC(=O)N2C[C@H](C)Oc3ccccc32)c1 CCOC(=O)[*:1] C[C@H]1CN(C(=O)Nc2cccc(c2)[*:1])c2ccccc2O1
OC(c1ccncc1)(c1ccc(F)cc1)c1ccc(F)cc1 c1cc(ccn1)[*:1] OC(c1ccc(F)cc1)(c1ccc(F)cc1)[*:1]
OC(c1ccncc1)(c1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] OC(c1ccncc1)(c1ccc(F)cc1)[*:1]
COCCCNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 COCCC[*:1] O=C(NCc1n[nH]c(=O)c2ccccc12)C(=O)N[*:1]
COCCCNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 COCC[*:1] O=C(NCc1n[nH]c(=O)c2ccccc12)C(=O)NC[*:1]
COCCCNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 COC[*:1] O=C(NCC[*:1])C(=O)NCc1n[nH]c(=O)c2ccccc12
CC[NH+](CC(=O)Nc1c(C)cccc1C(C)C)Cc1cccs1 CC(C)[*:1] CC[NH+](CC(=O)Nc1c(C)cccc1[*:1])Cc1cccs1
CC[NH+](CC(=O)Nc1c(C)cccc1C(C)C)Cc1cccs1 c1csc(c1)C[*:1] CC[NH+](CC(=O)Nc1c(C)cccc1C(C)C)[*:1]
CC[NH+](CC(=O)Nc1c(C)cccc1C(C)C)Cc1cccs1 c1csc(c1)[*:1] CC[NH+](CC(=O)Nc1c(C)cccc1C(C)C)C[*:1]
COc1ccccc1CC(=O)N1CCC[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1CC(=O)N1CCC[C@@H]1[*:1]
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc(F)c(F)cc1F CS(=O)(=O)C[*:1] C[C@H](N(C)S(=O)(=O)c1cc(F)c(F)cc1F)[*:1]
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc(F)c(F)cc1F CS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)S(=O)(=O)c1cc(F)c(F)cc1F
CCc1ccc(S(=O)(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1 CCc1ccc(cc1)[*:1] C[C@@H]1CN(CCO1)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccccc1[C@H](NC(=O)N[C@@H](C)CSC)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@H](NC(=O)N[C@@H](C)CSC)[*:1]
COc1ccccc1[C@H](NC(=O)N[C@@H](C)CSC)c1ccccc1 COc1ccccc1[*:1] CSC[C@H](C)NC(=O)N[C@H](c1ccccc1)[*:1]
COc1ccccc1[C@H](NC(=O)N[C@@H](C)CSC)c1ccccc1 CSC[*:1] COc1ccccc1[C@H](NC(=O)N[C@@H](C)[*:1])c1ccccc1
CCOC[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)C1 CCO[*:1] C[C@H](NC(=O)N1CC[C@@H](C1)C[*:1])c1ccc(cc1)-n1cncn1
CCOC[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)C1 CCOC[*:1] C[C@H](NC(=O)N1CC[C@@H](C1)[*:1])c1ccc(cc1)-n1cncn1
CCOC[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)C1 c1ncn(n1)[*:1] CCOC[C@H]1CCN(C1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
O=C(C[C@H](O)c1cccc(F)c1)N1CC(Oc2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(C[C@H](O)c1cccc(F)c1)N1CC(C1)O[*:1]
O=C(C[C@H](O)c1cccc(F)c1)N1CC(Oc2ccccc2Cl)C1 Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])N1CC(C1)Oc1ccccc1Cl
O=C(C[C@H](O)c1cccc(F)c1)N1CC(Oc2ccccc2Cl)C1 Clc1ccccc1O[*:1] O=C(C[C@H](O)c1cccc(F)c1)N1CC(C1)[*:1]
Cc1nnc(-c2cccc(N3CCC([NH2+]Cc4cnn(C)c4)CC3)c2)s1 Cc1nnc(s1)[*:1] Cn1cc(cn1)C[NH2+]C1CCN(CC1)c1cccc(c1)[*:1]
Cc1nnc(-c2cccc(N3CCC([NH2+]Cc4cnn(C)c4)CC3)c2)s1 Cn1cc(cn1)[*:1] Cc1nnc(s1)-c1cccc(c1)N1CCC(CC1)[NH2+]C[*:1]
C[C@H](c1cccnc1)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 c1cncc(c1)[*:1] C[C@H](N(C)Cc1coc(n1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@H](c1cccnc1)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] C[C@H](c1cccnc1)N(C)Cc1coc(n1)-c1ccc(cc1)[*:1]
C[C@H](c1cccnc1)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 C[C@H](c1cccnc1)[*:1] CN(Cc1coc(n1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)o1 Cc1ncc(o1)[*:1] O=S(=O)(Nc1ccc(F)cc1)c1ccc(cc1)[*:1]
Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)o1 Fc1ccc(cc1)[*:1] Cc1ncc(o1)-c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1nn2ccccc2c1C(=O)NCC1CC1 C1CC1[*:1] Cc1nn2ccccc2c1C(=O)NC[*:1]
Cc1nn2ccccc2c1C(=O)NCC1CC1 C1CC1C[*:1] Cc1nn2ccccc2c1C(=O)N[*:1]
COc1ccc(-c2nc(-c3cn(-c4cccc(Cl)c4)nn3)no2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)-c1nc(no1)-c1cn(nn1)[*:1]
COc1ccc(-c2nc(-c3cn(-c4cccc(Cl)c4)nn3)no2)cc1 COc1ccc(cc1)[*:1] Clc1cccc(c1)-n1cc(nn1)-c1noc(n1)[*:1]
CC1(C)C(=O)N([C@H](C(N)=S)C2CCCCC2)S1(=O)=O C1CCC(CC1)[*:1] CC1(C)C(=O)N([C@H](C(N)=S)[*:1])S1(=O)=O
CC1(C)C(=O)N([C@H](C(N)=S)C2CCCCC2)S1(=O)=O NC(=S)[*:1] CC1(C)C(=O)N([C@H](C2CCCCC2)[*:1])S1(=O)=O
COc1ccc(CNC(=O)Cc2nnc(-c3cnccn3)o2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1nnc(o1)-c1cnccn1)NC[*:1]
COc1ccc(CNC(=O)Cc2nnc(-c3cnccn3)o2)cc1 c1cnc(cn1)[*:1] COc1ccc(cc1)CNC(=O)Cc1nnc(o1)[*:1]
Cc1ccc(S(=O)(=O)NCc2ccc(-n3cncn3)cc2)cc1F c1ncn(n1)[*:1] Cc1ccc(cc1F)S(=O)(=O)NCc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)NCc2ccc(-n3cncn3)cc2)cc1F Cc1ccc(cc1F)[*:1] O=S(=O)(NCc1ccc(cc1)-n1cncn1)[*:1]
C=CC[C@]1(C(=O)[O-])c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C=CC[C@]1(C(=O)[O-])c2ccccc2C(=O)N1Cc1ccc(cc1)[*:1]
C=CC[C@]1(C(=O)[O-])c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1 C=CC[*:1] O=C1c2ccccc2[C@@](C(=O)[O-])(N1Cc1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@H](O)CN1CCN(C(=O)CCc2ccccc2F)CC1 C[C@H](O)C[*:1] O=C(CCc1ccccc1F)N1CCN(CC1)[*:1]
C[C@H](O)CN1CCN(C(=O)CCc2ccccc2F)CC1 Fc1ccccc1[*:1] C[C@H](O)CN1CCN(CC1)C(=O)CC[*:1]
C[C@H](O)CN1CCN(C(=O)CCc2ccccc2F)CC1 C[C@H](O)[*:1] O=C(CCc1ccccc1F)N1CCN(CC1)C[*:1]
CCSc1cncc(N2CC[C@@H](CN3CCOCC3)C2)n1 C1CN(CCO1)C[*:1] CCSc1cncc(n1)N1CC[C@@H](C1)[*:1]
CCSc1cncc(N2CC[C@@H](CN3CCOCC3)C2)n1 C1CN(CCO1)[*:1] CCSc1cncc(n1)N1CC[C@H](C1)C[*:1]
CCSc1cncc(N2CC[C@@H](CN3CCOCC3)C2)n1 CCS[*:1] c1ncc(nc1N1CC[C@@H](CN2CCOCC2)C1)[*:1]
CCSC[C@@H](C)N(C)C(=O)NCc1cc(C)on1 CCS[*:1] Cc1cc(CNC(=O)N(C)[C@H](C)C[*:1])no1
CCSC[C@@H](C)N(C)C(=O)NCc1cc(C)on1 CCSC[*:1] Cc1cc(CNC(=O)N(C)[C@H](C)[*:1])no1
CCSC[C@@H](C)N(C)C(=O)NCc1cc(C)on1 Cc1cc(no1)[*:1] CCSC[C@@H](C)N(C)C(=O)NC[*:1]
CCC(=O)N[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 CCC(=O)N[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCC[C@@H](C1)[*:1]
CCC(=O)N[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 O=[N+]([O-])[*:1] CCC(=O)N[C@H]1CCCN(C1)c1cc(C)c(cn1)[*:1]
Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)c(F)c2)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1ccc(C(=O)N2CCC[C@@H]2[*:1])c(F)c1
Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)c(F)c2)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@@H]1CCCN1C(=O)c1ccc(cc1F)[*:1]
CCS(=O)(=O)CCNC(=O)c1cn(C)nc1C(C)(C)C CCS(=O)(=O)C[*:1] Cn1cc(C(=O)NC[*:1])c(n1)C(C)(C)C
CCS(=O)(=O)CCNC(=O)c1cn(C)nc1C(C)(C)C CCS(=O)(=O)[*:1] Cn1cc(C(=O)NCC[*:1])c(n1)C(C)(C)C
CCS(=O)(=O)CCNC(=O)c1cn(C)nc1C(C)(C)C CC(C)(C)[*:1] CCS(=O)(=O)CCNC(=O)c1cn(C)nc1[*:1]
CNc1ncccc1C(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 CNc1ncccc1[*:1] O=C1C[C@@H](CN1CCc1cccc(Cl)c1)NC(=O)[*:1]
CNc1ncccc1C(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 Clc1cccc(c1)C[*:1] CNc1ncccc1C(=O)N[C@H]1CC(=O)N(C1)C[*:1]
CNc1ncccc1C(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CNc1ncccc1C(=O)N[C@H]1CC(=O)N(CC[*:1])C1
O=C(Oc1ccc(Cl)cc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccco1 O=C(O[*:1])c1ccco1 O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1cc(Cl)ccc1[*:1]
O=C(Oc1ccc(Cl)cc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccco1 c1coc(c1)[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1cc(Cl)ccc1OC(=O)[*:1]
COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(F)nc2)CC1 Fc1ccc(cn1)[*:1] COCCCNC(=O)[C@H](C)N1CCN(CC1)C(=O)[*:1]
COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(F)nc2)CC1 COCC[*:1] C[C@@H](C(=O)NC[*:1])N1CCN(CC1)C(=O)c1ccc(F)nc1
COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(F)nc2)CC1 COCCCNC(=O)[*:1] C[C@H](N1CCN(CC1)C(=O)c1ccc(F)nc1)[*:1]
COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(F)nc2)CC1 COC[*:1] C[C@@H](C(=O)NCC[*:1])N1CCN(CC1)C(=O)c1ccc(F)nc1
COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccc(F)nc2)CC1 COCCC[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1ccc(F)nc1
C[C@H](CO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](CO)[NH2+]Cc1ccc(Br)c(c1)[*:1]
Cc1cccc(OCC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1)OCC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(OCC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])N[C@@H]1CC(=O)N(C1)c1cccc(F)c1
Cc1cccc(OCC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])N[C@@H]1CC(=O)N(C1)c1cccc(F)c1
CCn1nc(C)cc1-c1nc(-c2ccc(N3CCCCC3)cc2)no1 C1CCN(CC1)[*:1] CCn1nc(C)cc1-c1nc(no1)-c1ccc(cc1)[*:1]
CCn1nc(C)cc1-c1nc(-c2ccc(N3CCCCC3)cc2)no1 CCn1nc(C)cc1[*:1] c1cc(ccc1-c1noc(n1)[*:1])N1CCCCC1
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H](C)S[C@H](C)C1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)CC[NH+]1C[C@@H](C)S[C@H](C)C1)[*:1]
O[C@@H](Cc1nc2ccccc2[nH]1)c1ccncc1 c1cc(ccn1)[*:1] O[C@@H](Cc1nc2ccccc2[nH]1)[*:1]
N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccccc1Cl Fc1ccc(cc1)OC[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1ccccc1Cl)OC(=O)[*:1]
N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1[*:1])OC(=O)COc1ccc(F)cc1
N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccccc1Cl Fc1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1ccccc1Cl)OC(=O)CO[*:1]
N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccccc1Cl Fc1ccc(cc1)O[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1ccccc1Cl)OC(=O)C[*:1]
CS(=O)(=O)c1ccc(CN2CCCC[C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)CN1CCCC[C@H]1[*:1]
CS(=O)(=O)c1ccc(CN2CCCC[C@@H]2c2ccc(F)cc2)cc1 CS(=O)(=O)[*:1] Fc1ccc(cc1)[C@H]1CCCCN1Cc1ccc(cc1)[*:1]
CCCC(=O)C1(C(=O)OC)CC[NH2+]CC1 CCCC(=O)[*:1] COC(=O)C1(CC[NH2+]CC1)[*:1]
CCCC(=O)C1(C(=O)OC)CC[NH2+]CC1 COC(=O)[*:1] CCCC(=O)C1(CC[NH2+]CC1)[*:1]
CCCC(=O)C1(C(=O)OC)CC[NH2+]CC1 CCC[*:1] COC(=O)C1(CC[NH2+]CC1)C(=O)[*:1]
Cc1ccc(C[C@@H](C)NC(=O)c2ccccc2C)s1 Cc1ccc(s1)[*:1] Cc1ccccc1C(=O)N[C@H](C)C[*:1]
CCN1CC2(CCC1=O)CCN(C(=O)c1cnc[nH]c1=O)CC2 O=c1[nH]cncc1[*:1] CCN1CC2(CCC1=O)CCN(CC2)C(=O)[*:1]
Cc1cc(Oc2ccnc(C(=O)[O-])c2)cc(C)c1Cl O=C([O-])[*:1] Cc1cc(cc(C)c1Cl)Oc1ccnc(c1)[*:1]
COc1ccc2c(c1)CCCN2C(=O)CNc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] COc1ccc2c(c1)CCCN2C(=O)CN[*:1]
CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)C2=NN(C)C(=O)CC2)CC1=O CC(C)[*:1] CN1N=C(CCC1=O)C(=O)N1CC(=O)N(C[C@@H](C1)OCc1ccccc1F)C[*:1]
CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)C2=NN(C)C(=O)CC2)CC1=O Fc1ccccc1C[*:1] CC(C)CN1C[C@@H](CN(CC1=O)C(=O)C1CCC(=O)N(C)N=1)O[*:1]
CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)C2=NN(C)C(=O)CC2)CC1=O Fc1ccccc1[*:1] CC(C)CN1C[C@@H](CN(CC1=O)C(=O)C1CCC(=O)N(C)N=1)OC[*:1]
CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)C2=NN(C)C(=O)CC2)CC1=O Fc1ccccc1CO[*:1] CC(C)CN1C[C@H](CN(CC1=O)C(=O)C1CCC(=O)N(C)N=1)[*:1]
CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)C2=NN(C)C(=O)CC2)CC1=O CC(C)C[*:1] CN1N=C(CCC1=O)C(=O)N1CC(=O)N(C[C@@H](C1)OCc1ccccc1F)[*:1]
COC(=O)[C@@]1(NC(=O)c2cc3ccccc3c(Cl)n2)CCOC1 COC(=O)[*:1] O=C(N[C@]1(CCOC1)[*:1])c1cc2ccccc2c(Cl)n1
CN(Cc1ccsc1)C(=O)Nc1ccc(F)cc1F c1cc(cs1)[*:1] CN(C[*:1])C(=O)Nc1ccc(F)cc1F
CN(Cc1ccsc1)C(=O)Nc1ccc(F)cc1F c1cc(cs1)C[*:1] CN(C(=O)Nc1ccc(F)cc1F)[*:1]
COC(=O)CCCN1CC[NH+](CC2CCC(C)(C)CC2)CC1 COC(=O)CCC[*:1] CC1(C)CCC(CC1)C[NH+]1CCN(CC1)[*:1]
COC(=O)CCCN1CC[NH+](CC2CCC(C)(C)CC2)CC1 COC(=O)[*:1] CC1(C)CCC(CC1)C[NH+]1CCN(CCC[*:1])CC1
COC(=O)CCCN1CC[NH+](CC2CCC(C)(C)CC2)CC1 COC(=O)C[*:1] CC1(C)CCC(CC1)C[NH+]1CCN(CC1)CC[*:1]
COC(=O)CCCN1CC[NH+](CC2CCC(C)(C)CC2)CC1 COC(=O)CC[*:1] CC1(C)CCC(CC1)C[NH+]1CCN(CC1)C[*:1]
C[C@@H](C[C@@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C[C@@H](O)[C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
C[C@@H](C[C@@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 CS(=O)(=O)[*:1] C[C@@H](C[C@@H](O)[C@@H]1CCC[C@H](C1)[*:1])c1ccccc1
N#CCCCC[S@@](=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 N#CCCCC[*:1] O=[S@@](Cc1csc(n1)-c1ccc2OCOc2c1)[*:1]
N#CCCCC[S@@](=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 N#CCC[*:1] O=[S@](CC[*:1])Cc1csc(n1)-c1ccc2OCOc2c1
N#CCCCC[S@@](=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 N#CCCC[*:1] O=[S@@](Cc1csc(n1)-c1ccc2OCOc2c1)C[*:1]
N#CCCCC[S@@](=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 N#CC[*:1] O=[S@](CCC[*:1])Cc1csc(n1)-c1ccc2OCOc2c1
CC(C)n1ncc2cc(NC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)cnc21 CC(C)[*:1] O=C(Nc1cnc2c(cnn2[*:1])c1)N1CCN(CC1)C(=O)[C@@H]1CCCO1
O=C(CSc1nncs1)N[C@H]1CCCc2ccccc21 c1nnc(S[*:1])s1 O=C(C[*:1])N[C@H]1CCCc2ccccc21
O=C(CSc1nncs1)N[C@H]1CCCc2ccccc21 c1nnc(s1)[*:1] O=C(CS[*:1])N[C@H]1CCCc2ccccc21
CCN(c1ccccc1C)S(=O)(=O)c1cccc(Cl)c1Cl Cc1ccccc1[*:1] CCN(S(=O)(=O)c1cccc(Cl)c1Cl)[*:1]
Nc1c(NNC(=O)c2ccccn2)ncnc1N1CCc2ccccc21 c1ccc(nc1)[*:1] Nc1c(ncnc1N1CCc2ccccc21)NNC(=O)[*:1]
COc1cc2c(cc1OC)CN(C(=O)c1c(C)nn(-c3ccccc3)c1C)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)c1c(C)nn(c1C)[*:1]
CCOc1ccccc1[C@@H](O)[C@@H]1CCc2cccnc21 CCO[*:1] O[C@H](c1ccccc1[*:1])[C@@H]1CCc2cccnc21
COc1ccccc1C(C)(C)[NH2+]Cc1ncc(-c2ccccc2Cl)o1 COc1ccccc1[*:1] CC(C)([NH2+]Cc1ncc(o1)-c1ccccc1Cl)[*:1]
COc1ccccc1C(C)(C)[NH2+]Cc1ncc(-c2ccccc2Cl)o1 Clc1ccccc1[*:1] COc1ccccc1C(C)(C)[NH2+]Cc1ncc(o1)[*:1]
Cc1ccc(CC(=O)Nc2nnc(-c3ccno3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])Nc1nnc(o1)-c1ccno1
Cc1ccc(CC(=O)Nc2nnc(-c3ccno3)o2)cc1 c1cc(on1)[*:1] Cc1ccc(cc1)CC(=O)Nc1nnc(o1)[*:1]
Cc1ccc(OCCOC(=O)c2n[nH]c(=O)c3ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C(OCCO[*:1])c1n[nH]c(=O)c2ccccc12
Cc1ccc(OCCOC(=O)c2n[nH]c(=O)c3ccccc23)cc1 Cc1ccc(cc1)O[*:1] O=C(OCC[*:1])c1n[nH]c(=O)c2ccccc12
CC(C)c1ocnc1C[S@](=O)Cc1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] CC(C)c1ocnc1C[S@](=O)Cc1csc(n1)[*:1]
CC(C)c1ocnc1C[S@](=O)Cc1csc(-c2ccsc2)n1 CC(C)[*:1] O=[S@](Cc1csc(n1)-c1ccsc1)Cc1ncoc1[*:1]
CCSC[C@H](C)N(C)C(=O)c1ccc2c([O-])n(CC)c(=S)nc2c1 CCSC[*:1] CCn1c([O-])c2ccc(cc2nc1=S)C(=O)N(C)[C@@H](C)[*:1]
CCSC[C@H](C)N(C)C(=O)c1ccc2c([O-])n(CC)c(=S)nc2c1 CCS[*:1] CCn1c([O-])c2ccc(cc2nc1=S)C(=O)N(C)[C@@H](C)C[*:1]
COc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(Cc4cccc(F)c4)no3)C2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)OC[C@@H]1CCCN(C1)C(=O)c1cc(C[*:1])no1
COc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(Cc4cccc(F)c4)no3)C2)cc1 COc1ccc(cc1)OC[*:1] O=C(c1cc(Cc2cccc(F)c2)no1)N1CCC[C@H](C1)[*:1]
COc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(Cc4cccc(F)c4)no3)C2)cc1 COc1ccc(cc1)[*:1] O=C(c1cc(Cc2cccc(F)c2)no1)N1CCC[C@@H](CO[*:1])C1
COc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(Cc4cccc(F)c4)no3)C2)cc1 Fc1cccc(c1)C[*:1] COc1ccc(cc1)OC[C@@H]1CCCN(C1)C(=O)c1cc(no1)[*:1]
COc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(Cc4cccc(F)c4)no3)C2)cc1 COc1ccc(cc1)O[*:1] O=C(c1cc(Cc2cccc(F)c2)no1)N1CCC[C@H](C1)C[*:1]
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(=O)n(C)c1 Clc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1ccc(=O)n(C)c1)[*:1]
C[C@H](CCCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 OCC[*:1] C[C@H](C[*:1])NS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
C[C@H](CCCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 C[C@H](CCCO)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N[*:1]
C[C@H](CCCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 OCCC[*:1] C[C@H](NS(=O)(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@H](CCCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](CCCO)NS(=O)(=O)c1cccc(c1)[*:1]
CO/N=C/c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 CON=C[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Cn2ccc3cccnc32)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(o1)[*:1])N1CCC(CC1)Cn1ccc2cccnc21
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Cn2ccc3cccnc32)CC1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(N1CCC(CC1)Cn1ccc2cccnc21)[*:1]
COC(=O)CNC(=O)[C@H](C)N1CCc2c(F)ccc(F)c2C1 COC(=O)C[*:1] C[C@@H](C(=O)N[*:1])N1CCc2c(F)ccc(F)c2C1
COC(=O)CNC(=O)[C@H](C)N1CCc2c(F)ccc(F)c2C1 COC(=O)[*:1] C[C@@H](C(=O)NC[*:1])N1CCc2c(F)ccc(F)c2C1
O=C(Nc1ccc2c(c1)CCO2)c1cccc(N2C(=O)CCC2=O)c1 O=C1CCC(=O)N1[*:1] O=C(Nc1ccc2OCCc2c1)c1cccc(c1)[*:1]
COc1ccc(N(C(=O)COc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl c1ccc(cc1)OC[*:1] COc1ccc(cc1Cl)N(C(=O)[*:1])S(=O)(=O)c1ccccc1
COc1ccc(N(C(=O)COc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)N(C(=O)COc1ccccc1)S(=O)(=O)[*:1]
COc1ccc(N(C(=O)COc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl c1ccc(cc1)O[*:1] COc1ccc(cc1Cl)N(C(=O)C[*:1])S(=O)(=O)c1ccccc1
COc1ccc(N(C(=O)COc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)N(C(=O)CO[*:1])S(=O)(=O)c1ccccc1
COc1ccc(N(C(=O)COc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(COc1ccccc1)N(S(=O)(=O)c1ccccc1)[*:1]
CN(C)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cc1 c1cncc(c1)O[*:1] CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
CN(C)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cc1 c1cncc(c1)[*:1] CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)O[*:1]
CN(C)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cc1 CN(C)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)Oc1cccnc1
NC(=S)[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)CCO1 NC(=S)[*:1] O=C(c1ccccc1C(F)(F)F)N1CCO[C@@H](C1)[*:1]
NC(=S)[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)CCO1 FC(F)(F)[*:1] NC(=S)[C@@H]1CN(CCO1)C(=O)c1ccccc1[*:1]
C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)c2C(N)=O)C1 c1csc(c1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1])c2C(N)=O
C[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)c2C(N)=O)C1 NC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)c2[*:1]
CC[C@H](C(=O)N[C@@H](C)CS(=O)(=O)CC)c1ccccc1 CCS(=O)(=O)C[*:1] CC[C@H](C(=O)N[C@@H](C)[*:1])c1ccccc1
CC[C@H](C(=O)N[C@@H](C)CS(=O)(=O)CC)c1ccccc1 CCS(=O)(=O)[*:1] CC[C@H](C(=O)N[C@@H](C)C[*:1])c1ccccc1
CC[C@H](C(=O)N[C@@H](C)CS(=O)(=O)CC)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N[C@@H](C)CS(=O)(=O)CC)[*:1]
CSc1ccc(O[C@H](C)C(=O)N2CCC(CC(N)=O)CC2)cc1 NC(=O)C[*:1] CSc1ccc(cc1)O[C@H](C)C(=O)N1CCC(CC1)[*:1]
CSc1ccc(O[C@H](C)C(=O)N2CCC(CC(N)=O)CC2)cc1 NC(=O)[*:1] CSc1ccc(cc1)O[C@H](C)C(=O)N1CCC(CC1)C[*:1]
COc1ccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccn(C)n3)nc2c1 Cn1ccc(n1)[*:1] COc1ccc2sc(nc2c1)N(C[C@H]1CCCO1)C(=O)[*:1]
COc1ccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccn(C)n3)nc2c1 C1CO[C@H](C1)C[*:1] COc1ccc2sc(nc2c1)N(C(=O)c1ccn(C)n1)[*:1]
CCc1cccc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)c1O C1CC(CCO1)[*:1] CCc1cccc(C(=O)N[C@H](CC(N)=O)[*:1])c1O
CCc1cccc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)c1O NC(=O)[*:1] CCc1cccc(C(=O)N[C@H](C[*:1])C2CCOCC2)c1O
CCc1cccc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)c1O NC(=O)C[*:1] CCc1cccc(C(=O)N[C@H](C2CCOCC2)[*:1])c1O
Cc1nc(CCNC(=O)c2ccccc2Br)cs1 Cc1nc(cs1)[*:1] O=C(NCC[*:1])c1ccccc1Br
CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)S(=O)(=O)c1ccc(Cl)cc1 c1ncn(n1)[*:1] CN(CC(=O)Nc1cc(Cl)ccc1[*:1])S(=O)(=O)c1ccc(Cl)cc1
CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)S(=O)(=O)[*:1]
CO[C@H](C(=O)[C@@H](C#N)c1nnc(-c2ccccc2)n1C)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)[C@@H](C#N)c1nnc(n1C)[*:1])c1ccccc1
CO[C@H](C(=O)[C@@H](C#N)c1nnc(-c2ccccc2)n1C)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)[C@@H](C#N)c1nnc(-c2ccccc2)n1C)[*:1]
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCOc1cccnc1 c1cncc(c1)[*:1] Cc1nn(cc1C(=O)NCCO[*:1])-c1ccc(Cl)cc1
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCOc1cccnc1 c1cncc(c1)OC[*:1] Cc1nn(cc1C(=O)NC[*:1])-c1ccc(Cl)cc1
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCOc1cccnc1 Clc1ccc(cc1)[*:1] Cc1nn(cc1C(=O)NCCOc1cccnc1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCOc1cccnc1 c1cncc(c1)O[*:1] Cc1nn(cc1C(=O)NCC[*:1])-c1ccc(Cl)cc1
Nc1cc(-c2cncc(Oc3ccccc3)c2)ncn1 c1ccc(cc1)[*:1] Nc1cc(ncn1)-c1cncc(c1)O[*:1]
CCC(CC)(NC(=O)CN1CCCCCC1=O)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)CN1CCCCCC1=O)[*:1]
COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccccc4C)S3)[C@H](c3ccco3)C2)cc1 Cc1ccccc1NC(=O)C[*:1] COc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C1=NC(=O)[C@H](S1)[*:1]
COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccccc4C)S3)[C@H](c3ccco3)C2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C[C@@H]1SC(=NC1=O)N1N=C(C[C@H]1c1ccco1)[*:1]
COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccccc4C)S3)[C@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C1C[C@@H](N(N=1)C1=NC(=O)[C@H](CC(=O)Nc2ccccc2C)S1)[*:1]
COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccccc4C)S3)[C@H](c3ccco3)C2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C1=NC(=O)[C@H](CC(=O)N[*:1])S1
COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccccc4C)S3)[C@H](c3ccco3)C2)cc1 Cc1ccccc1NC(=O)[*:1] COc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C1=NC(=O)[C@H](C[*:1])S1
CC(=O)NC(C)(C)c1noc(-c2cccc(Oc3ccncc3)c2)n1 CC(=O)NC(C)(C)[*:1] c1cc(cc(c1)-c1nc(no1)[*:1])Oc1ccncc1
CC(=O)NC(C)(C)c1noc(-c2cccc(Oc3ccncc3)c2)n1 c1cc(ccn1)O[*:1] CC(=O)NC(C)(C)c1noc(n1)-c1cccc(c1)[*:1]
CC(=O)NC(C)(C)c1noc(-c2cccc(Oc3ccncc3)c2)n1 CC(=O)N[*:1] CC(C)(c1noc(n1)-c1cccc(c1)Oc1ccncc1)[*:1]
CC(=O)NC(C)(C)c1noc(-c2cccc(Oc3ccncc3)c2)n1 c1cc(ccn1)[*:1] CC(=O)NC(C)(C)c1noc(n1)-c1cccc(c1)O[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccccc1C(F)(F)F C1CO[C@@H](C1)C[*:1] C[C@@H](O[*:1])C(=O)Nc1ccccc1C(F)(F)F
C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccccc1C(F)(F)F C1CO[C@@H](C1)[*:1] C[C@@H](OC[*:1])C(=O)Nc1ccccc1C(F)(F)F
C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccccc1C(F)(F)F C1CO[C@@H](C1)CO[*:1] C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccccc1[*:1]
Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CC[C@H](C(C)(C)C)C3)c1 Cc1cccc(c1)C(=O)N[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc(c2C(=O)N1CCOCC1)[*:1]
Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CC[C@H](C(C)(C)C)C3)c1 O=C(N1CCOCC1)[*:1] Cc1cccc(c1)C(=O)Nc1sc2C[C@H](CCc2c1[*:1])C(C)(C)C
Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CC[C@H](C(C)(C)C)C3)c1 Cc1cccc(c1)[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C(=O)N1CCOCC1
Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CC[C@H](C(C)(C)C)C3)c1 CC(C)(C)[*:1] Cc1cccc(c1)C(=O)Nc1sc2C[C@@H](CCc2c1C(=O)N1CCOCC1)[*:1]
O=C1CCc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc3c2N1CCC3 c1ccc(cc1)O[*:1] O=C1CCc2cc(cc3CCCN1c32)S(=O)(=O)Nc1ccc(cc1)[*:1]
O=C1CCc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc3c2N1CCC3 c1ccc(cc1)[*:1] O=C1CCc2cc(cc3CCCN1c32)S(=O)(=O)Nc1ccc(cc1)O[*:1]
COc1ccccc1N(C[C@@H]1C=c2cc(C)ccc2=[NH+]C1=O)C(=O)C(C)C COc1ccccc1[*:1] Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C(=O)C(C)C)[*:1]
COc1ccccc1N(C[C@@H]1C=c2cc(C)ccc2=[NH+]C1=O)C(=O)C(C)C CC(C)[*:1] COc1ccccc1N(C[C@@H]1C=c2cc(C)ccc2=[NH+]C1=O)C(=O)[*:1]
Cc1ccc(N2CCCC2=O)c(C(=O)NC[C@@](C)(O)c2cc(C)oc2C)c1 Cc1cc(c(C)o1)[*:1] Cc1ccc(c(c1)C(=O)NC[C@@](C)(O)[*:1])N1CCCC1=O
Cc1ccc(N2CCCC2=O)c(C(=O)NC[C@@](C)(O)c2cc(C)oc2C)c1 O=C1CCCN1[*:1] Cc1ccc(c(c1)C(=O)NC[C@@](C)(O)c1cc(C)oc1C)[*:1]
[NH3+]C[C@H]1CC[C@H](C(=O)NCCc2cccs2)O1 c1csc(c1)[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)NCC[*:1]
CCC(=O)NCC(=O)N(C)C[C@H]1CCCO1 CCC(=O)N[*:1] CN(C[C@H]1CCCO1)C(=O)C[*:1]
CCC(=O)NCC(=O)N(C)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCC(=O)NCC(=O)N(C)C[*:1]
COc1ccc(-c2nc3cc(C)ccc3n2C)cc1OCCCC#N N#CCCCO[*:1] COc1ccc(cc1[*:1])-c1nc2cc(C)ccc2n1C
COc1ccc(-c2nc3cc(C)ccc3n2C)cc1OCCCC#N N#CCC[*:1] COc1ccc(cc1OC[*:1])-c1nc2cc(C)ccc2n1C
COc1ccc(-c2nc3cc(C)ccc3n2C)cc1OCCCC#N N#CCCC[*:1] COc1ccc(cc1O[*:1])-c1nc2cc(C)ccc2n1C
COc1ccc(-c2nc3cc(C)ccc3n2C)cc1OCCCC#N N#CC[*:1] COc1ccc(cc1OCC[*:1])-c1nc2cc(C)ccc2n1C
Cc1cc(NC(=O)c2cc3c(C)nn(C)c3s2)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1cc2c(C)nn(C)c2s1
C=CCN(CC(=O)[O-])C(=O)C[NH3+] C=CC[*:1] [NH3+]CC(=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])C(=O)C[NH3+] O=C([O-])[*:1] C=CCN(C[*:1])C(=O)C[NH3+]
C=CCN(CC(=O)[O-])C(=O)C[NH3+] O=C([O-])C[*:1] C=CCN(C(=O)C[NH3+])[*:1]
CC(C)(C)C(=O)/C=C1/SCC(=O)N1Cc1cc(-c2ccccc2)no1 CC(C)(C)[*:1] O=C1CS/C(=C/C(=O)[*:1])N1Cc1cc(no1)-c1ccccc1
CC(C)(C)C(=O)/C=C1/SCC(=O)N1Cc1cc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)/C=C1/SCC(=O)N1Cc1cc(no1)[*:1]
CC(C)(C)C(=O)/C=C1/SCC(=O)N1Cc1cc(-c2ccccc2)no1 CC(C)(C)C(=O)[*:1] O=C1CSC(=C[*:1])N1Cc1cc(no1)-c1ccccc1
O=C(NCc1ccc(-n2cccn2)cc1)N[C@@H]1CCS(=O)(=O)C1 c1cnn(c1)[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@@H]1CCS(=O)(=O)C1
CCOc1ccccc1/C=N/NC(N)=O CCO[*:1] NC(=O)N/N=C/c1ccccc1[*:1]
C[C@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2coc3ccccc23)CC1 O=C(N1CCOCC1)[*:1] C[C@H](N1CC[NH+](CC1)Cc1coc2ccccc12)[*:1]
Cc1c(NC(=O)C[NH2+][C@@H](C2CCCC2)C(F)(F)F)cccc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)C[NH2+][C@@H](C1CCCC1)[*:1]
Cc1c(NC(=O)C[NH2+][C@@H](C2CCCC2)C(F)(F)F)cccc1[N+](=O)[O-] C1CCC(C1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)C[NH2+][C@@H](C(F)(F)F)[*:1]
Cc1c(NC(=O)C[NH2+][C@@H](C2CCCC2)C(F)(F)F)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)C[NH2+][C@@H](C1CCCC1)C(F)(F)F
Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n23)c1 Cc1cc(C)cc(c1)[*:1] O=C(CSc1nc(nc2cc(=O)[nH]n12)-c1ccccc1)N[*:1]
Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n23)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nc(nc2cc(=O)[nH]n12)[*:1]
COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] COc1ccc(cc1CSc1nnc(o1)[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(Br)cc2)o1 CC(=O)[*:1] COc1ccc(cc1CSc1nnc(o1)-c1ccc(Br)cc1)[*:1]
Cc1ccccc1-n1nnnc1SCC#CCOC(=O)c1ccc(F)cc1 Cc1ccccc1[*:1] O=C(OCC#CCSc1nnnn1[*:1])c1ccc(F)cc1
Cc1ccccc1-n1nnnc1SCC#CCOC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccccc1-n1nnnc1SCC#CCOC(=O)[*:1]
CC(C)(C)NC(=O)Nc1nnc(SCC(=O)N2CCCC2)s1 CC(C)(C)[*:1] O=C(Nc1nnc(SCC(=O)N2CCCC2)s1)N[*:1]
CC(C)(C)NC(=O)Nc1nnc(SCC(=O)N2CCCC2)s1 O=C(N1CCCC1)[*:1] CC(C)(C)NC(=O)Nc1nnc(SC[*:1])s1
COC(OC)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 COC(OC)[*:1] Cc1ccc(cc1F)[C@@H](C)[NH2+][C@H](C)[*:1]
C[C@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccccc1 Clc1ccc(cc1Cl)[*:1] C[C@H](NC(=O)CN(S(C)(=O)=O)[*:1])c1ccccc1
C[C@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccccc1 C[C@H](c1ccccc1)[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccc(Cl)c(Cl)c1
C[C@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)[*:1]
CCn1c(C2CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)CC2)nn(C)c1=O FC(F)(F)[*:1] CCn1c(nn(C)c1=O)C1CCN(CC1)C(=O)c1cc(n[nH]1)[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](C)Oc2ccccc2)C1 c1ccc(cc1)O[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NC[C@@H](C)[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](C)Oc2ccccc2)C1 c1ccc(cc1)[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NC[C@@H](C)O[*:1]
O=Cc1cc(Br)ccc1OCC(=O)Nc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=Cc1cc(Br)ccc1OCC(=O)Nc1nnc(s1)[*:1]
CCN(CCC#N)C(=O)Cn1nnc(-c2ccsc2)n1 N#CCC[*:1] CCN(C(=O)Cn1nnc(n1)-c1ccsc1)[*:1]
CCN(CCC#N)C(=O)Cn1nnc(-c2ccsc2)n1 c1cc(cs1)[*:1] CCN(CCC#N)C(=O)Cn1nnc(n1)[*:1]
CCN(CCC#N)C(=O)Cn1nnc(-c2ccsc2)n1 N#CC[*:1] CCN(C[*:1])C(=O)Cn1nnc(n1)-c1ccsc1
CCOc1ccccc1CNC(=O)[C@H]1Cc2ccccc2N1C(C)=O CCO[*:1] CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCc1ccccc1[*:1]
C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 C[C@@H]1CCCCN1C(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCc2ccccc21
CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4cccc(OC)c4)cc3C2=O)CC1 CCOC(=O)N1CCC(CC1)[*:1] COc1cccc(c1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4cccc(OC)c4)cc3C2=O)CC1 COc1cccc(c1)[*:1] CCOC(=O)N1CCC(CC1)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4cccc(OC)c4)cc3C2=O)CC1 COc1cccc(c1)NC(=O)[*:1] CCOC(=O)N1CCC(CC1)N1C(=O)c2ccc(cc2C1=O)[*:1]
Cc1cccc(CN2CCn3nc(CCC(=O)[O-])cc3C2)c1 O=C([O-])[*:1] Cc1cccc(c1)CN1CCn2nc(cc2C1)CC[*:1]
Cc1cccc(CN2CCn3nc(CCC(=O)[O-])cc3C2)c1 O=C([O-])C[*:1] Cc1cccc(c1)CN1CCn2nc(cc2C1)C[*:1]
Cc1cccc(CN2CCn3nc(CCC(=O)[O-])cc3C2)c1 O=C([O-])CC[*:1] Cc1cccc(c1)CN1CCn2nc(cc2C1)[*:1]
Cc1cccc(CN2CCn3nc(CCC(=O)[O-])cc3C2)c1 Cc1cccc(c1)[*:1] O=C([O-])CCc1cc2CN(CCn2n1)C[*:1]
C[NH2+]CCc1cn(Cc2nc(C)cs2)c2ccccc12 Cc1csc(n1)[*:1] C[NH2+]CCc1cn(C[*:1])c2ccccc12
Cc1cc(NC(=O)[C@](C)(N)C(F)(F)F)ncc1Br FC(F)(F)[*:1] Cc1cc(ncc1Br)NC(=O)[C@](C)(N)[*:1]
C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 c1coc(c1)[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 O=S1(=O)CCCCN1[*:1] C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 c1coc(c1)C[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O)[*:1]
O=C(C[C@H](O)c1ccccc1)N1CCO[C@@H](c2cccs2)C1 c1csc(c1)[*:1] O=C(C[C@H](O)c1ccccc1)N1CCO[C@@H](C1)[*:1]
O=C(C[C@H](O)c1ccccc1)N1CCO[C@@H](c2cccs2)C1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N1CCO[C@H](C1)c1cccs1
CN(C)C(=O)c1ccc(Cl)c(NCc2ccccc2C#N)c1 CN(C)C(=O)[*:1] N#Cc1ccccc1CNc1cc(ccc1Cl)[*:1]
CC(C)CNC(=O)c1cccc(CN2CCOC[C@@H]2C2CC2)c1 CC(C)[*:1] O=C(NC[*:1])c1cccc(c1)CN1CCOC[C@@H]1C1CC1
CC(C)CNC(=O)c1cccc(CN2CCOC[C@@H]2C2CC2)c1 CC(C)CNC(=O)[*:1] c1cc(cc(c1)[*:1])CN1CCOC[C@@H]1C1CC1
CC(C)CNC(=O)c1cccc(CN2CCOC[C@@H]2C2CC2)c1 CC(C)C[*:1] O=C(N[*:1])c1cccc(c1)CN1CCOC[C@@H]1C1CC1
CC(C)CNC(=O)c1cccc(CN2CCOC[C@@H]2C2CC2)c1 C1CC1[*:1] CC(C)CNC(=O)c1cccc(c1)CN1CCOC[C@H]1[*:1]
C[C@@H]1CCCCN1C(=O)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1 Fc1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)c1cccc(c1)-c1nc(no1)[*:1]
C[C@@H]1CCCCN1C(=O)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1 C[C@@H]1CCCCN1C(=O)[*:1] Fc1ccc(cc1)-c1noc(n1)-c1cccc(c1)[*:1]
O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@@H]1C1CCCC1 c1coc(c1)[*:1] O=C(c1ccc([nH]c1=O)[*:1])N1CCC[C@@H]1C1CCCC1
O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@@H]1C1CCCC1 C1CCC(C1)[*:1] O=C(c1ccc([nH]c1=O)-c1ccco1)N1CCC[C@H]1[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCC[C@@H](C1)[NH+]1CCCC1
CN(CCCN1CCOCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O C1CN(CCO1)C[*:1] CN(CC[*:1])[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O
CN(CCCN1CCOCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O C1CN(CCO1)CC[*:1] CN(C[*:1])[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O
CN(CCCN1CCOCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O C1CN(CCO1)[*:1] CN(CCC[*:1])[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O
Cc1noc(CCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 Cc1noc(C[*:1])n1 Cc1ccc(cc1[N+](=O)[O-])[C@H](C)NC[*:1]
Cc1noc(CCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] Cc1noc(CCN[C@@H](C)c2ccc(C)c(c2)[*:1])n1
Cc1noc(CCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 Cc1noc(n1)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)NCC[*:1]
C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] C[C@H]([NH2+][C@@H]1CCCN(C1)c1cccnn1)c1ccc(cc1)[*:1]
C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(-n2cnnn2)cc1 c1cnnc(c1)[*:1] C[C@H]([NH2+][C@@H]1CCCN(C1)[*:1])c1ccc(cc1)-n1cnnn1
CC[C@H](C)CN(C)S(=O)(=O)c1ccc(OC)c(N)c1 CC[C@H](C)C[*:1] COc1ccc(cc1N)S(=O)(=O)N(C)[*:1]
CC[C@H](C)CN(C)S(=O)(=O)c1ccc(OC)c(N)c1 CC[C@H](C)[*:1] COc1ccc(cc1N)S(=O)(=O)N(C)C[*:1]
Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)C1(C)CC1 CC1(CC1)[*:1] Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)[*:1]
C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C)[C@@H](O)C1 CC(C)(C)[*:1] C[C@H](NC(=O)O[*:1])C(=O)N1CC[C@H](C)[C@@H](O)C1
COc1cc(OC)c(C2=CCN(C(=O)COc3ccccc3F)CC2)c(OC)c1 Fc1ccccc1OC[*:1] COc1cc(OC)c(C2=CCN(CC2)C(=O)[*:1])c(c1)OC
COc1cc(OC)c(C2=CCN(C(=O)COc3ccccc3F)CC2)c(OC)c1 Fc1ccccc1[*:1] COc1cc(OC)c(C2=CCN(CC2)C(=O)CO[*:1])c(c1)OC
COc1cc(OC)c(C2=CCN(C(=O)COc3ccccc3F)CC2)c(OC)c1 Fc1ccccc1O[*:1] COc1cc(OC)c(C2=CCN(CC2)C(=O)C[*:1])c(c1)OC
O=C(Cc1ccccc1NC(=O)c1cc2cccn2cn1)NC1CCCCC1 c1cc2cc(ncn2c1)[*:1] O=C(Cc1ccccc1NC(=O)[*:1])NC1CCCCC1
O=C(Cc1ccccc1NC(=O)c1cc2cccn2cn1)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(Nc1ccccc1C[*:1])c1cc2cccn2cn1
O=C(Cc1ccccc1NC(=O)c1cc2cccn2cn1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1ccccc1NC(=O)c1cc2cccn2cn1)N[*:1]
COc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)NCC2 COc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc2CCNC(=O)c2c1
CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C CC(C)[*:1] CC[C@H]1CN(CC[C@H]1[NH2+][C@@H](C)C(=O)N(C(C)C)[*:1])C(C)=O
O=C(Cn1ccc(C(=O)[O-])n1)NC1=NCCS1 O=C([O-])[*:1] O=C(Cn1ccc(n1)[*:1])NC1=NCCS1
O=C(COc1ccc(F)cc1F)N(Cc1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)C[*:1] O=C(COc1ccc(F)cc1F)N(C1CC1)[*:1]
O=C(COc1ccc(F)cc1F)N(Cc1ccc(Cl)cc1)C1CC1 Fc1ccc(c(F)c1)[*:1] O=C(CO[*:1])N(Cc1ccc(Cl)cc1)C1CC1
O=C(COc1ccc(F)cc1F)N(Cc1ccc(Cl)cc1)C1CC1 C1CC1[*:1] O=C(COc1ccc(F)cc1F)N(Cc1ccc(Cl)cc1)[*:1]
O=C(COc1ccc(F)cc1F)N(Cc1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] O=C(COc1ccc(F)cc1F)N(C[*:1])C1CC1
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccncc2)[nH]c1=O c1cc(ccn1)[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([nH]c1=O)[*:1]
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)N1CCCC1=O)C(=O)N[C@@H]1CCC[C@H]1CC[*:1]
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)N1CCCC1=O)C(=O)N[C@@H]1CCC[C@H]1C[*:1]
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 CC(C)CC[*:1] O=C(Nc1ccc(cc1)N1CCCC1=O)C(=O)N[C@@H]1CCC[C@H]1[*:1]
O=C(NC[C@@H](CCO)c1ccccc1)c1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NC[C@@H](CCO)[*:1])c1cnn(n1)-c1ccccc1
O=C(NC[C@@H](CCO)c1ccccc1)c1cnn(-c2ccccc2)n1 OCC[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])c1cnn(n1)-c1ccccc1
O=C(NC[C@@H](CCO)c1ccccc1)c1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NC[C@@H](CCO)c1ccccc1)c1cnn(n1)[*:1]
Cn1c[nH+]cc1COc1c(F)cc(C(=O)[O-])cc1F O=C([O-])[*:1] Cn1c[nH+]cc1COc1c(F)cc(cc1F)[*:1]
CS(=O)(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccccc1NC(=O)c1ccc(cc1)O[*:1]
CS(=O)(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CS(=O)(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)Oc1ccccc1
CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1)c1ccccc1 Cn1ccnc1[*:1] CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccccc2)c(s1)[*:1])c1ccccc1
CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1nc(c(s1)-c1nccn1C)[*:1])c1ccccc1
CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1)c1ccccc1 CC(=O)N[*:1] Cn1ccnc1-c1sc(nc1-c1ccccc1)NC(=O)C[C@@H](c1ccccc1)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccccc2)c(s1)-c1nccn1C)[*:1]
NC(=O)[C@H](NC(=O)c1cccs1)c1cccc(Br)c1 c1csc(c1)[*:1] NC(=O)[C@H](NC(=O)[*:1])c1cccc(Br)c1
NC(=O)[C@H](NC(=O)c1cccs1)c1cccc(Br)c1 NC(=O)[*:1] O=C(N[C@H](c1cccc(Br)c1)[*:1])c1cccs1
CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C(C)C)C1 CC[C@H](C)[*:1] CC(C)C(=O)N1CC[C@@H](C1)[NH2+]C[*:1]
CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C(C)C)C1 CC[C@H](C)C[*:1] CC(C)C(=O)N1CC[C@@H](C1)[NH2+][*:1]
CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C(C)C)C1 CC(C)[*:1] CC[C@H](C)C[NH2+][C@H]1CCN(C1)C(=O)[*:1]
N/C(N[C@@H]1CCOc2ccccc21)=[NH+]\CCC(=O)NC1CCCC1 C1CCC(C1)[*:1] N/C(N[C@@H]1CCOc2ccccc21)=[NH+]\CCC(=O)N[*:1]
N/C(N[C@@H]1CCOc2ccccc21)=[NH+]\CCC(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] N/C(N[C@@H]1CCOc2ccccc21)=[NH+]\CC[*:1]
Cc1c(C(=O)NCCc2n[nH]c(=S)n2C)nnn1-c1cccc2cccnc12 Cn1c(n[nH]c1=S)[*:1] Cc1c(nnn1-c1cccc2cccnc12)C(=O)NCC[*:1]
Cc1c(C(=O)NCCc2n[nH]c(=S)n2C)nnn1-c1cccc2cccnc12 Cn1c(CC[*:1])n[nH]c1=S Cc1c(nnn1-c1cccc2cccnc12)C(=O)N[*:1]
Cc1c(C(=O)NCCc2n[nH]c(=S)n2C)nnn1-c1cccc2cccnc12 Cn1c(C[*:1])n[nH]c1=S Cc1c(nnn1-c1cccc2cccnc12)C(=O)NC[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(Br)cn1)C2 Brc1ccc(nc1)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N[*:1]
CCN([C@@H](C)COC)[C@H]1CCC[C@H]([NH3+])C1 COC[*:1] CCN([C@H]1CCC[C@H]([NH3+])C1)[C@@H](C)[*:1]
CCN([C@@H](C)COC)[C@H]1CCC[C@H]([NH3+])C1 COC[C@H](C)[*:1] CCN([C@H]1CCC[C@H]([NH3+])C1)[*:1]
CCc1cccc2c([C@H](CC(=O)N3CCOCC3)c3ccc(OC)cc3OC)c[nH]c12 COc1ccc(c(c1)OC)[*:1] CCc1cccc2c(c[nH]c12)[C@H](CC(=O)N1CCOCC1)[*:1]
CCc1cccc2c([C@H](CC(=O)N3CCOCC3)c3ccc(OC)cc3OC)c[nH]c12 O=C(N1CCOCC1)[*:1] CCc1cccc2c(c[nH]c12)[C@H](C[*:1])c1ccc(cc1OC)OC
CCc1cccc2c([C@H](CC(=O)N3CCOCC3)c3ccc(OC)cc3OC)c[nH]c12 O=C(C[*:1])N1CCOCC1 CCc1cccc2c(c[nH]c12)[C@H](c1ccc(cc1OC)OC)[*:1]
Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)c1 c1cc(ccn1)[*:1] Cc1ccc(F)c(c1)S(=O)(=O)N1CCC[C@H]1[*:1]
O=S(=O)(NCCSC1CCCC1)c1ccccc1Br C1CCC(C1)S[*:1] O=S(=O)(NCC[*:1])c1ccccc1Br
O=S(=O)(NCCSC1CCCC1)c1ccccc1Br C1CCC(C1)[*:1] O=S(=O)(NCCS[*:1])c1ccccc1Br
C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])s1 c1ccc(cc1)C[*:1] C[NH+](C)CCN(C(=O)c1ccc(s1)[N+](=O)[O-])[*:1]
C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])s1 c1ccc(cc1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1ccc(s1)[N+](=O)[O-]
C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(s1)[*:1]
CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cc2c(cc1Br)OCCO2 CN(C(=O)C1CC1)[*:1] O=C(Nc1cc2OCCOc2cc1Br)c1ccccc1[*:1]
CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cc2c(cc1Br)OCCO2 C1CC1[*:1] CN(C(=O)[*:1])c1ccccc1C(=O)Nc1cc2OCCOc2cc1Br
CCO[C@H](C)c1nc(COc2ccccc2CO)cs1 CCO[C@H](C)[*:1] OCc1ccccc1OCc1csc(n1)[*:1]
CCO[C@H](C)c1nc(COc2ccccc2CO)cs1 CCO[*:1] C[C@H](c1nc(cs1)COc1ccccc1CO)[*:1]
COc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccccc1C(=O)Nc1ccc(C)c(c1)[*:1]
Cc1cc(C)n(CCN(C(=O)c2ccc(Br)s2)c2nc3ccccc3s2)n1 Cc1cc(C)n(C[*:1])n1 O=C(c1ccc(Br)s1)N(C[*:1])c1nc2ccccc2s1
Cc1cc(C)n(CCN(C(=O)c2ccc(Br)s2)c2nc3ccccc3s2)n1 c1ccc2sc(nc2c1)[*:1] Cc1cc(C)n(CCN(C(=O)c2ccc(Br)s2)[*:1])n1
Cc1cc(C)n(CCN(C(=O)c2ccc(Br)s2)c2nc3ccccc3s2)n1 Cc1cc(C)n(n1)[*:1] O=C(c1ccc(Br)s1)N(CC[*:1])c1nc2ccccc2s1
Cc1cc(C)n(CCN(C(=O)c2ccc(Br)s2)c2nc3ccccc3s2)n1 Brc1ccc(s1)[*:1] Cc1cc(C)n(CCN(C(=O)[*:1])c2nc3ccccc3s2)n1
Cc1cc(C)n(CCN(C(=O)c2ccc(Br)s2)c2nc3ccccc3s2)n1 Cc1cc(C)n(CC[*:1])n1 O=C(c1ccc(Br)s1)N(c1nc2ccccc2s1)[*:1]
COc1cccc(F)c1C(=O)NCC1(C)COC1 CC1(COC1)[*:1] COc1cccc(F)c1C(=O)NC[*:1]
COc1cccc(F)c1C(=O)NCC1(C)COC1 CC1(COC1)C[*:1] COc1cccc(F)c1C(=O)N[*:1]
CCONC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 CCONC(=O)[*:1] C1=CC[C@H]([C@H](C1)c1nc2ccccc2s1)[*:1]
O=C(NCc1csc(-c2ccccc2)n1)N[C@@H]1CCC[C@@H]1CO c1ccc(cc1)[*:1] O=C(NCc1csc(n1)[*:1])N[C@@H]1CCC[C@@H]1CO
C[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1nc(-c2ccccc2)no1 N#Cc1cc(ccc1F)[*:1] C[C@H](CNC(=O)N[*:1])c1nc(no1)-c1ccccc1
C[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1nc(no1)[*:1]
C[C@H](S[C@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)[C@@H](C)O c1ccc(cc1)[*:1] C[C@H](S[C@H](C)c1nc2scc(c2c(=O)[nH]1)[*:1])[C@@H](C)O
C[C@H](S[C@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](S[C@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)[*:1]
Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C Cc1ccccc1O[*:1] C[C@@H](Sc1nnc(C[*:1])n1C)C(=O)Nc1nccs1
Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C O=C(Nc1nccs1)[*:1] Cc1ccccc1OCc1nnc(S[C@H](C)[*:1])n1C
Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C c1csc(n1)[*:1] Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)N[*:1])n1C
Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C Cc1ccccc1[*:1] C[C@@H](Sc1nnc(CO[*:1])n1C)C(=O)Nc1nccs1
CCC[C@H]1C[C@@H]1[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C C1CO[C@@H](C1)C[*:1] CCC[C@H]1C[C@@H]1[NH2+][C@@H]1CCN(C[C@@H]1C)[*:1]
CCC[C@H]1C[C@@H]1[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C CCC[*:1] C[C@H]1CN(CC[C@H]1[NH2+][C@H]1C[C@@H]1[*:1])C[C@@H]1CCCO1
CCC[C@H]1C[C@@H]1[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C C1CO[C@@H](C1)[*:1] CCC[C@H]1C[C@@H]1[NH2+][C@@H]1CCN(C[C@@H]1C)C[*:1]
CC(C)N(Cc1ccc(F)cc1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C CC(C)[*:1] CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccc(F)cc1)[*:1]
CC(C)N(Cc1ccc(F)cc1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C Fc1ccc(cc1)C[*:1] CC(C)N(C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)[*:1]
CC(C)N(Cc1ccc(F)cc1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)N(Cc1ccc(F)cc1)C(=O)[C@H]1CCCCN1C(=O)O[*:1]
CC(C)N(Cc1ccc(F)cc1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C Fc1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
CCc1nn2c(CNC(=O)CC3CCCC3)c(C)nc2s1 C1CCC(C1)C[*:1] CCc1nn2c(CNC(=O)[*:1])c(C)nc2s1
CCc1nn2c(CNC(=O)CC3CCCC3)c(C)nc2s1 C1CCC(C1)[*:1] CCc1nn2c(CNC(=O)C[*:1])c(C)nc2s1
CCN(c1ccc(F)cc1C[NH2+]C(C)C)C1CC1 CCN(C1CC1)[*:1] CC(C)[NH2+]Cc1cc(F)ccc1[*:1]
CCN(c1ccc(F)cc1C[NH2+]C(C)C)C1CC1 CC(C)[*:1] CCN(c1ccc(F)cc1C[NH2+][*:1])C1CC1
CCN(c1ccc(F)cc1C[NH2+]C(C)C)C1CC1 C1CC1[*:1] CCN(c1ccc(F)cc1C[NH2+]C(C)C)[*:1]
Cc1cccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)N(C)C)c2)c1C Cc1cccc(c1C)[*:1] C[C@@H]([NH2+]Cc1cccc(c1)NC(=O)N(C)C)[*:1]
Cc1cccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)N(C)C)c2)c1C CN(C)C(=O)N[*:1] Cc1cccc(c1C)[C@@H](C)[NH2+]Cc1cccc(c1)[*:1]
CCCn1c(C[NH2+]Cc2sccc2CC)nc2ccccc21 CCC[*:1] CCc1ccsc1C[NH2+]Cc1nc2ccccc2n1[*:1]
CCCn1c(C[NH2+]Cc2sccc2CC)nc2ccccc21 CCc1ccsc1[*:1] CCCn1c(C[NH2+]C[*:1])nc2ccccc21
O=C(Cc1ccc[nH]1)N1CCCC[C@H]1c1ncon1 c1c[nH]c(c1)C[*:1] O=C(N1CCCC[C@H]1c1ncon1)[*:1]
O=C(Cc1ccc[nH]1)N1CCCC[C@H]1c1ncon1 c1nc(no1)[*:1] O=C(Cc1ccc[nH]1)N1CCCC[C@@H]1[*:1]
O=C(Cc1ccc[nH]1)N1CCCC[C@H]1c1ncon1 c1c[nH]c(c1)[*:1] O=C(C[*:1])N1CCCC[C@H]1c1ncon1
Cc1nc2ccccc2nc1S[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] Cc1nc2ccccc2nc1S[C@@H](C)C(=O)N1CCC(CC1)[*:1]
O=C(CCn1cncn1)Nc1ccccc1Oc1ccccc1 c1ncn(n1)[*:1] O=C(CC[*:1])Nc1ccccc1Oc1ccccc1
O=C(CCn1cncn1)Nc1ccccc1Oc1ccccc1 c1ncn(C[*:1])n1 O=C(C[*:1])Nc1ccccc1Oc1ccccc1
O=C(CCn1cncn1)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(CCn1cncn1)Nc1ccccc1[*:1]
O=C(CCn1cncn1)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1cncn1)Nc1ccccc1O[*:1]
O=C(CCn1cncn1)Nc1ccccc1Oc1ccccc1 c1ncn(CC[*:1])n1 O=C(Nc1ccccc1Oc1ccccc1)[*:1]
Cc1ccc(CC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cc1O Cc1ccc(cc1O)C[*:1] O=C(c1cccc(F)c1)N1CCCN(CC1)C(=O)[*:1]
Cc1ccc(CC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cc1O Fc1cccc(c1)[*:1] Cc1ccc(cc1O)CC(=O)N1CCCN(CC1)C(=O)[*:1]
Cc1ccc(CC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cc1O Cc1ccc(cc1O)[*:1] O=C(C[*:1])N1CCCN(CC1)C(=O)c1cccc(F)c1
C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1cccc(O)c1 Cc1ccc(cc1)[*:1] C/C(=N/NC(=O)c1cc(n[nH]1)-c1ccc(cc1)OC[*:1])c1cccc(O)c1
C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1cccc(O)c1 Cc1ccc(cc1)C[*:1] C/C(=N/NC(=O)c1cc(n[nH]1)-c1ccc(cc1)O[*:1])c1cccc(O)c1
C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1cccc(O)c1 Cc1ccc(cc1)CO[*:1] C/C(=N/NC(=O)c1cc(n[nH]1)-c1ccc(cc1)[*:1])c1cccc(O)c1
C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1cccc(O)c1 Oc1cccc(c1)[*:1] CC(=NNC(=O)c1cc(n[nH]1)-c1ccc(cc1)OCc1ccc(C)cc1)[*:1]
O=C1C[C@H](C(=O)N2CCCc3ccccc32)CN1Cc1ccco1 c1coc(c1)[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1CCCc2ccccc21
O=C1C[C@H](C(=O)N2CCCc3ccccc32)CN1Cc1ccco1 c1coc(c1)C[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCCc2ccccc21
C/C(=N\NC(=O)c1ccccc1O)c1cccc(/C(C)=N/NC(=O)c2ccccc2O)n1 Oc1ccccc1[*:1] C/C(=N\NC(=O)c1ccccc1O)c1cccc(n1)/C(C)=N/NC(=O)[*:1]
CCc1ccc(CN(C)C(=O)[C@H](NC(C)=O)C(C)C)cc1 CC(=O)N[*:1] CCc1ccc(cc1)CN(C)C(=O)[C@H](C(C)C)[*:1]
CCc1ccc(CN(C)C(=O)[C@H](NC(C)=O)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)CN(C)C(=O)[C@H](NC(C)=O)[*:1]
CS(=O)(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CS(=O)(=O)N1CCC(CC1)NC(=O)[C@@H]1C[C@H]1[*:1]
Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1ccccc1-c1noc(n1)-c1ccccc1OCC(=O)N[*:1]
Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2ccccn2)n1 O=C(Nc1ccccn1)[*:1] Cc1ccccc1-c1noc(n1)-c1ccccc1OC[*:1]
Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2ccccn2)n1 Cc1ccccc1[*:1] O=C(COc1ccccc1-c1nc(no1)[*:1])Nc1ccccn1
COc1cccc(C[C@H]([NH2+]C(C)C)c2ccc(F)cn2)c1 Fc1ccc(nc1)[*:1] COc1cccc(c1)C[C@H]([NH2+]C(C)C)[*:1]
COc1cccc(C[C@H]([NH2+]C(C)C)c2ccc(F)cn2)c1 CC(C)[*:1] COc1cccc(c1)C[C@H]([NH2+][*:1])c1ccc(F)cn1
COc1cccc(F)c1[C@H](Cl)Cc1ccccn1 c1ccc(nc1)[*:1] COc1cccc(F)c1[C@H](Cl)C[*:1]
Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 CC(C)[*:1] Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCO[C@H](C1)[*:1]
Cc1ccccc1[C@H]1CCCN1C(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ccccc1[C@H]1CCCN1C(=O)[*:1]
CCn1nc(C)cc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 C1CN(CCO1)[*:1] CCn1nc(C)cc1C(=O)NCc1ccc[nH+]c1[*:1]
CCn1nc(C)cc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 CCn1nc(C)cc1[*:1] O=C(NCc1ccc[nH+]c1N1CCOCC1)[*:1]
O=C1OC(c2cccs2)=N/C1=C\c1cc2ccccc2o1 c1csc(c1)[*:1] O=C1OC(=N/C1=C\c1cc2ccccc2o1)[*:1]
CNC(=O)c1ccc(N[C@H](C)c2ccc(C(F)(F)F)cc2)[nH+]n1 CNC(=O)[*:1] C[C@@H](Nc1ccc(n[nH+]1)[*:1])c1ccc(cc1)C(F)(F)F
CNC(=O)c1ccc(N[C@H](C)c2ccc(C(F)(F)F)cc2)[nH+]n1 FC(F)(F)[*:1] CNC(=O)c1ccc(N[C@H](C)c2ccc(cc2)[*:1])[nH+]n1
COC(=O)[C@@H]1[NH+]=c2cccc(Cl)c2=C1NC(=O)C[NH+]1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] COC(=O)[C@@H]1[NH+]=c2cccc(Cl)c2=C1NC(=O)C[NH+]1CCN(CC1)[*:1]
COC(=O)[C@@H]1[NH+]=c2cccc(Cl)c2=C1NC(=O)C[NH+]1CCN(c2ccccc2F)CC1 COC(=O)[*:1] O=C(C[NH+]1CCN(CC1)c1ccccc1F)NC1=c2c(Cl)cccc2=[NH+][C@H]1[*:1]
O=C(C[C@@H](c1ccccc1)n1cccc1)N1CCc2ccccc21 c1ccn(c1)[*:1] O=C(C[C@@H](c1ccccc1)[*:1])N1CCc2ccccc21
O=C(C[C@@H](c1ccccc1)n1cccc1)N1CCc2ccccc21 c1ccc(cc1)[*:1] O=C(C[C@@H](n1cccc1)[*:1])N1CCc2ccccc21
CC(=O)c1ccccc1NC(=O)[C@@H](C)Nc1ccccc1C Cc1ccccc1[*:1] CC(=O)c1ccccc1NC(=O)[C@@H](C)N[*:1]
CC(=O)c1ccccc1NC(=O)[C@@H](C)Nc1ccccc1C CC(=O)[*:1] Cc1ccccc1N[C@H](C)C(=O)Nc1ccccc1[*:1]
CC[C@@H](NC(=O)c1cccc(Br)c1C)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)c1cccc(Br)c1C)[*:1]
COc1ccc(CCC(=O)Nc2cnc(-c3ccccc3)nc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CCC(=O)Nc1cnc(nc1)[*:1]
CC(=O)Nc1cc(S(=O)(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)ccc1F CC(=O)N[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(F)c(c1)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1ccco1 FC(F)(F)[*:1] N#CCCN(CC[*:1])C(=O)[C@@H]1C[C@H]1c1ccco1
N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1ccco1 N#CC[*:1] O=C([C@@H]1C[C@H]1c1ccco1)N(CCC(F)(F)F)C[*:1]
N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1ccco1 FC(F)(F)CC[*:1] N#CCCN(C(=O)[C@@H]1C[C@H]1c1ccco1)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1ccco1 N#CCC[*:1] O=C([C@@H]1C[C@H]1c1ccco1)N(CCC(F)(F)F)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1ccco1 c1coc(c1)[*:1] N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@@H]1[*:1]
N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1ccco1 FC(F)(F)C[*:1] N#CCCN(C[*:1])C(=O)[C@@H]1C[C@H]1c1ccco1
CC(C)(Nc1cccc(F)c1C#N)C(C)(C)C(=O)[O-] O=C([O-])[*:1] CC(C)(Nc1cccc(F)c1C#N)C(C)(C)[*:1]
CC(C)(Nc1cccc(F)c1C#N)C(C)(C)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] CC(C)(Nc1cccc(F)c1C#N)[*:1]
Cc1nsnc1COc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 Cc1nsnc1C[*:1] O=C(NCc1ccc2OCOc2c1)c1cccc(c1)O[*:1]
Cc1nsnc1COc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1[*:1] Cc1nsnc1COc1cccc(c1)C(=O)NC[*:1]
Cc1nsnc1COc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 Cc1nsnc1CO[*:1] O=C(NCc1ccc2OCOc2c1)c1cccc(c1)[*:1]
Cc1nsnc1COc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 Cc1nsnc1[*:1] O=C(NCc1ccc2OCOc2c1)c1cccc(c1)OC[*:1]
C[C@H]1CCC[C@H](OCc2cccc(NC(=O)[C@H](C)[NH+](C)C)c2)C1 C[C@H]1CCC[C@H](C1)[*:1] C[C@@H](C(=O)Nc1cccc(c1)CO[*:1])[NH+](C)C
CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)S[C@@H](C)C3)s1 Fc1ccc(cc1)[*:1] CCSc1nnc(NC(=O)CSc2nc3C[C@H](C)Sc3c(=O)n2[*:1])s1
CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)S[C@@H](C)C3)s1 CCSc1nnc(s1)[*:1] C[C@H]1Cc2nc(SCC(=O)N[*:1])n(-c3ccc(F)cc3)c(=O)c2S1
CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)S[C@@H](C)C3)s1 CCS[*:1] C[C@H]1Cc2nc(SCC(=O)Nc3nnc(s3)[*:1])n(-c3ccc(F)cc3)c(=O)c2S1
O=C(Nc1cn[nH]c1)C(=O)Nc1ccccc1-n1cccn1 c1n[nH]cc1[*:1] O=C(Nc1ccccc1-n1cccn1)C(=O)N[*:1]
O=C(Nc1cn[nH]c1)C(=O)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] O=C(Nc1cn[nH]c1)C(=O)Nc1ccccc1[*:1]
O=C1CCCC[C@H]1[C@H]1CCCCN1S(=O)(=O)c1cn[nH]c1 O=C1CCCC[C@@H]1[*:1] O=S(=O)(c1cn[nH]c1)N1CCCC[C@@H]1[*:1]
O=C1CCCC[C@H]1[C@H]1CCCCN1S(=O)(=O)c1cn[nH]c1 c1n[nH]cc1[*:1] O=C1CCCC[C@H]1[C@H]1CCCCN1S(=O)(=O)[*:1]
COc1ccc(CNC(=O)C(=O)NCc2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)CNC(=O)C(=O)NC[*:1]
COc1ccc(CNC(=O)C(=O)NCc2ccccn2)cc1 c1ccc(C[*:1])nc1 COc1ccc(cc1)CNC(=O)C(=O)N[*:1]
C[C@@H]1CCc2cc(-c3nnc(SCC(=O)Nc4sccc4C(N)=O)o3)sc2C1 NC(=O)c1ccsc1[*:1] C[C@@H]1CCc2cc(sc2C1)-c1nnc(o1)SCC(=O)N[*:1]
C[C@@H]1CCc2cc(-c3nnc(SCC(=O)Nc4sccc4C(N)=O)o3)sc2C1 NC(=O)[*:1] C[C@@H]1CCc2cc(sc2C1)-c1nnc(o1)SCC(=O)Nc1sccc1[*:1]
Cc1ccc([C@H](C)NC(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
CCSCCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 CCS[*:1] O=C(Nc1ccc(F)cc1)NC1CCN(CC1)C(=O)CC[*:1]
CCSCCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCSCCC(=O)N1CCC(CC1)NC(=O)N[*:1]
CCSCCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 CCSCC[*:1] O=C(Nc1ccc(F)cc1)NC1CCN(CC1)C(=O)[*:1]
CCSCCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 CCSC[*:1] O=C(Nc1ccc(F)cc1)NC1CCN(CC1)C(=O)C[*:1]
C[C@H](SCc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](SCc1ccc(cc1)C(C)(C)C)[*:1]
C[C@H](SCc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](SCc1ccc(cc1)C(C)(C)C)C(=O)N[*:1]
C[C@H](SCc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](SCc1ccc(cc1)[*:1])C(=O)NC(C)(C)C
CCc1ccc(O[C@@H](C)C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 NC(=O)[*:1] CCc1ccc(cc1)O[C@@H](C)C(=O)Nc1sc(C)c(C)c1[*:1]
CCc1ccc(O[C@@H](C)C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 CCc1ccc(cc1)[*:1] Cc1sc(NC(=O)[C@H](C)O[*:1])c(C(N)=O)c1C
COc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1[N+](=O)[O-] N#Cc1cccc(c1)O[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1[N+](=O)[O-] N#Cc1cccc(c1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc(cc1)Oc1cccc(C#N)c1
Cc1cc(C)c(NC(=O)c2cn(CC(=O)N(C)C)nn2)c(Cl)n1 CN(C)C(=O)[*:1] Cc1cc(C)c(NC(=O)c2cn(C[*:1])nn2)c(Cl)n1
Cc1cc(C)c(NC(=O)c2cn(CC(=O)N(C)C)nn2)c(Cl)n1 CN(C)C(=O)C[*:1] Cc1cc(C)c(NC(=O)c2cn(nn2)[*:1])c(Cl)n1
C[C@H](OC(=O)c1ccc2nccnc2c1)C(=O)NCc1cccs1 c1csc(c1)C[*:1] C[C@H](OC(=O)c1ccc2nccnc2c1)C(=O)N[*:1]
C[C@H](OC(=O)c1ccc2nccnc2c1)C(=O)NCc1cccs1 c1csc(c1)[*:1] C[C@H](OC(=O)c1ccc2nccnc2c1)C(=O)NC[*:1]
CCc1c(C)nc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)[nH]c1=O COc1ccc(cc1)[*:1] CCc1c(C)nc([nH]c1=O)SCC(=O)Nc1nc(cs1)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)NC[C@@H](C)CC1(C)OCCO1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)NC[C@@H](C)CC1(C)OCCO1)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)NC[C@@H](C)CC1(C)OCCO1 CC1(OCCO1)[*:1] Cc1cn(nc1NC(=O)NC[C@@H](C)C[*:1])-c1ccccc1Cl
CCCc1c(N)nnn1Cc1nc(C)c(C)s1 CCC[*:1] Cc1nc(Cn2nnc(N)c2[*:1])sc1C
COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccn(-c4ccccc4)n3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](C)N(C1)C(=O)c1ccn(n1)[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccn(-c4ccccc4)n3)C2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1C(=O)c1ccn(n1)-c1ccccc1)[*:1]
Cc1ccc([C@@H]2CCCN2C(=O)CSc2nnnn2C)cc1C Cn1nnnc1[*:1] Cc1ccc(cc1C)[C@@H]1CCCN1C(=O)CS[*:1]
Cc1ccc([C@@H]2CCCN2C(=O)CSc2nnnn2C)cc1C Cn1nnnc1S[*:1] Cc1ccc(cc1C)[C@@H]1CCCN1C(=O)C[*:1]
CC[C@@](C)(C(=O)[O-])n1nnnc1-c1ccc(Br)c(F)c1 O=C([O-])[*:1] CC[C@@](C)(n1nnnc1-c1ccc(Br)c(F)c1)[*:1]
COc1cccc(/C=C(/C#N)c2ccc(Br)cc2)c1O[C@@H](C)C(=O)[O-] Brc1ccc(cc1)[*:1] COc1cccc(/C=C(/C#N)[*:1])c1O[C@@H](C)C(=O)[O-]
COc1cccc(/C=C(/C#N)c2ccc(Br)cc2)c1O[C@@H](C)C(=O)[O-] O=C([O-])[*:1] COc1cccc(/C=C(/C#N)c2ccc(Br)cc2)c1O[C@@H](C)[*:1]
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] C[C@H]1CCC[C@H](C)N1c1nc2NC(=O)C[C@@H](C(=O)N[*:1])c2c(=O)[nH]1
COc1cc(/C=C(/CCl)C(C)C)ccc1OC(F)F CC(C)[*:1] COc1cc(/C=C(/CCl)[*:1])ccc1OC(F)F
COc1cc(/C=C(/CCl)C(C)C)ccc1OC(F)F FC(F)[*:1] COc1cc(/C=C(/CCl)C(C)C)ccc1O[*:1]
COc1cc(/C=C(/CCl)C(C)C)ccc1OC(F)F FC(F)O[*:1] COc1cc(/C=C(/CCl)C(C)C)ccc1[*:1]
Cc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)s1 Cc1ccc(s1)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)N[*:1]
CC(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(CC#N)cc2)cc1 CC(C)[*:1] N#CCc1ccc(cc1)NC(=O)CNc1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(CC#N)cc2)cc1 CC(C)NC(=O)[*:1] N#CCc1ccc(cc1)NC(=O)CNc1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(CC#N)cc2)cc1 N#CC[*:1] CC(C)NC(=O)c1ccc(cc1)NCC(=O)Nc1ccc(cc1)[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)NC(C)(C)c1nc(C)cs1 Cc1csc(n1)[*:1] COc1cccc(F)c1[C@H](C)NC(=O)NC(C)(C)[*:1]
COCC(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C COCC(=O)N[*:1] CC(C)[C@@H](C(=O)N[C@H]1CCC[C@H](C1)C(F)(F)F)[*:1]
COCC(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C FC(F)(F)[*:1] COCC(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H](C1)[*:1])C(C)C
COCC(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C CC(C)[*:1] COCC(=O)N[C@H](C(=O)N[C@H]1CCC[C@H](C1)C(F)(F)F)[*:1]
COCC(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C COC[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N[C@H]1CCC[C@H](C1)C(F)(F)F
C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CCOCC1CC1 C(C[*:1])OCC1CC1 C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)[*:1]
C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CCOCC1CC1 C1CC1COC[*:1] C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)C[*:1]
C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CCOCC1CC1 C1CC1C[*:1] C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CCO[*:1]
C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CCOCC1CC1 C1CC1[*:1] C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CCOC[*:1]
C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CCOCC1CC1 C1CC1CO[*:1] C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CC[*:1]
Cc1ccc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)o1 Cc1ccc(o1)[*:1] Cc1n[nH]c(C)c1-c1cc(c(C#N)c(N)n1)[*:1]
Cc1ccc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)o1 Cc1n[nH]c(C)c1[*:1] Cc1ccc(o1)-c1cc(nc(N)c1C#N)[*:1]
CC[NH+](CC)CC(=O)NCC(C)(C)O CC(C)(O)[*:1] CC[NH+](CC)CC(=O)NC[*:1]
Cc1nn(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1Br O=[N+]([O-])[*:1] Cc1nn(C)c(C(=O)Nc2cccc(c2)[*:1])c1Br
CC(C)c1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1 c1nnnn1[*:1] CC(C)c1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
CC(C)c1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1 CC(C)[*:1] O=C(Nc1cccc(c1)-n1cnnn1)c1ccc(cc1)[*:1]
COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)c2ccc(F)cc2F)nn1 Fc1ccc(c(F)c1)[*:1] COC(=O)c1cn(nn1)[C@@H]1CCCC[C@@H]1OC(=O)[*:1]
COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)c2ccc(F)cc2F)nn1 COC(=O)[*:1] O=C(O[C@H]1CCCC[C@H]1n1cc(nn1)[*:1])c1ccc(F)cc1F
CC[C@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)[*:1]
CCCSc1cc2c(cc1Br)[C@H](O)C(=O)N2 CCCS[*:1] O=C1Nc2cc(c(Br)cc2[C@@H]1O)[*:1]
CCCSc1cc2c(cc1Br)[C@H](O)C(=O)N2 CCC[*:1] O=C1Nc2cc(S[*:1])c(Br)cc2[C@@H]1O
Cc1cccc(C(N)=O)c1NCc1ccc(F)cc1F NC(=O)[*:1] Cc1cccc(c1NCc1ccc(F)cc1F)[*:1]
C[C@@H](Nc1ncnc(NCC[NH+]2CCCCC2)c1N)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1ncnc(NCC[NH+]2CCCCC2)c1N)[*:1]
C[C@@H](Nc1ncnc(NCC[NH+]2CCCCC2)c1N)c1ccccc1 C[C@@H](c1ccccc1)[*:1] Nc1c(ncnc1N[*:1])NCC[NH+]1CCCCC1
C[C@H](C1CC1)n1c(SCC(=O)[O-])nc2cc(Cl)c(Cl)cc21 O=C([O-])C[*:1] C[C@H](C1CC1)n1c(nc2cc(Cl)c(Cl)cc21)S[*:1]
C[C@H](C1CC1)n1c(SCC(=O)[O-])nc2cc(Cl)c(Cl)cc21 C1CC1[*:1] C[C@H](n1c(nc2cc(Cl)c(Cl)cc21)SCC(=O)[O-])[*:1]
C[C@H](C1CC1)n1c(SCC(=O)[O-])nc2cc(Cl)c(Cl)cc21 C[C@H](C1CC1)[*:1] O=C([O-])CSc1nc2cc(Cl)c(Cl)cc2n1[*:1]
C[C@H](C1CC1)n1c(SCC(=O)[O-])nc2cc(Cl)c(Cl)cc21 O=C([O-])[*:1] C[C@H](C1CC1)n1c(nc2cc(Cl)c(Cl)cc21)SC[*:1]
C[C@H](C1CC1)n1c(SCC(=O)[O-])nc2cc(Cl)c(Cl)cc21 O=C([O-])CS[*:1] C[C@H](C1CC1)n1c(nc2cc(Cl)c(Cl)cc21)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)CC(C)C CC(C)C[*:1] Cc1cc(ccc1NC(=S)NC(=O)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)CC(C)C CC(C)[*:1] Cc1cc(ccc1NC(=S)NC(=O)C[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)CC(C)C O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=S)NC(=O)CC(C)C)[*:1]
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C2CCOCC2)c1 CC(C)CC(=O)N[*:1] CN(C(=O)c1cc(ccc1Cl)[*:1])C1CCOCC1
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C2CCOCC2)c1 C1CC(CCO1)[*:1] CC(C)CC(=O)Nc1ccc(Cl)c(c1)C(=O)N(C)[*:1]
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C2CCOCC2)c1 CC(C)C[*:1] CN(C(=O)c1cc(ccc1Cl)NC(=O)[*:1])C1CCOCC1
CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C2CCOCC2)c1 CC(C)[*:1] CN(C(=O)c1cc(ccc1Cl)NC(=O)C[*:1])C1CCOCC1
CCC(=O)Nc1ccc2nccnc2c1 CCC(=O)N[*:1] c1cnc2cc(ccc2n1)[*:1]
C[C@@H](c1ccccn1)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](c1ccccn1)N(C)c1ccc(cc1[*:1])S(C)(=O)=O
C[C@@H](c1ccccn1)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] CS(=O)(=O)[*:1] C[C@@H](c1ccccn1)N(C)c1ccc(cc1[N+](=O)[O-])[*:1]
C[C@@H](c1ccccn1)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] c1ccc(nc1)[*:1] C[C@@H](N(C)c1ccc(cc1[N+](=O)[O-])S(C)(=O)=O)[*:1]
Cc1cc(C)n2c(C[NH+]3CCC(Cn4nc(C)cc4C)CC3)cnc2n1 Cc1cc(C)n(n1)[*:1] Cc1cc(C)n2c(cnc2n1)C[NH+]1CCC(CC1)C[*:1]
Cc1cc(C)n2c(C[NH+]3CCC(Cn4nc(C)cc4C)CC3)cnc2n1 Cc1cc(C)n(C[*:1])n1 Cc1cc(C)n2c(cnc2n1)C[NH+]1CCC(CC1)[*:1]
Cc1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4cccc(Cl)c4)c(=O)n32)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=c1c2cnn(-c3cccc(Cl)c3)c2nc2SC[C@@H](C[*:1])n21
Cc1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4cccc(Cl)c4)c(=O)n32)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
Cc1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4cccc(Cl)c4)c(=O)n32)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)N[*:1]
Cc1nnc2n1CCN(Cc1cc3n(n1)CCN(C[C@@H]1CCOC1)C3)CC2 C1C[C@H](CO1)C[*:1] Cc1nnc2CCN(CCn12)Cc1cc2CN(CCn2n1)[*:1]
Cn1cc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c(C(C)(C)C)n1 FC(F)(F)C[*:1] Cn1cc(C[NH2+]C[C@@H]2CCN(C2)[*:1])c(n1)C(C)(C)C
Cn1cc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C[NH2+]C[C@@H]2CCN(C2)CC(F)(F)F)c(n1)[*:1]
Cn1cc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c(C(C)(C)C)n1 FC(F)(F)[*:1] Cn1cc(C[NH2+]C[C@@H]2CCN(C2)C[*:1])c(n1)C(C)(C)C
COCCn1ccc(NC(=O)c2cnn(C(C)C)c2C)n1 CC(C)[*:1] COCCn1ccc(n1)NC(=O)c1cnn(c1C)[*:1]
COCCn1ccc(NC(=O)c2cnn(C(C)C)c2C)n1 COC[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccn(C[*:1])n1
COCCn1ccc(NC(=O)c2cnn(C(C)C)c2C)n1 COCC[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccn(n1)[*:1]
CNC(=O)NC(=O)[C@@H](C)Nc1cccc(NC(=O)c2ccccc2)c1 CNC(=O)NC(=O)[*:1] C[C@@H](Nc1cccc(c1)NC(=O)c1ccccc1)[*:1]
CNC(=O)NC(=O)[C@@H](C)Nc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@@H](C)Nc1cccc(c1)NC(=O)[*:1]
CCOc1cc(C[NH+]2CCC(C)(C)C2)ccc1OCC(=O)N1CCCCC1 O=C(C[*:1])N1CCCCC1 CCOc1cc(ccc1O[*:1])C[NH+]1CCC(C)(C)C1
CCOc1cc(C[NH+]2CCC(C)(C)C2)ccc1OCC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CCOc1cc(ccc1OC[*:1])C[NH+]1CCC(C)(C)C1
CCOc1cc(C[NH+]2CCC(C)(C)C2)ccc1OCC(=O)N1CCCCC1 CCO[*:1] CC1(C)CC[NH+](Cc2ccc(OCC(=O)N3CCCCC3)c(c2)[*:1])C1
CCOC(=O)NCCC(=O)N1CCC[C@H]2CCCC[C@H]21 CCOC(=O)N[*:1] O=C(CC[*:1])N1CCC[C@H]2CCCC[C@H]21
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Br)c2)n2ncnc2N1 CC(C)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)O[*:1])c1cccc(Br)c1
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Br)c2)n2ncnc2N1 Brc1cccc(c1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)OC(C)C)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Br)c2)n2ncnc2N1 CC(C)OC(=O)[*:1] CC1Nc2ncnn2[C@@H](C=1[*:1])c1cccc(Br)c1
C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1n1cc[nH+]c1 O=[N+]([O-])[*:1] C[C@H]1CCN(C[C@H]1n1cc[nH+]c1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CN(C)C(=O)c1ccc(CSc2ccnc3ccccc23)cc1 CN(C)C(=O)[*:1] c1ccc2c(ccnc2c1)SCc1ccc(cc1)[*:1]
Cc1[nH]ncc1CCCNC(=O)N1CCC(C(C)C)CC1 CC(C)[*:1] Cc1[nH]ncc1CCCNC(=O)N1CCC(CC1)[*:1]
Cc1[nH]ncc1CCCNC(=O)N1CCC(C(C)C)CC1 Cc1[nH]ncc1C[*:1] CC(C)C1CCN(CC1)C(=O)NCC[*:1]
Cc1[nH]ncc1CCCNC(=O)N1CCC(C(C)C)CC1 Cc1[nH]ncc1[*:1] CC(C)C1CCN(CC1)C(=O)NCCC[*:1]
Cc1ccc([C@@H](Nc2ccccc2)C(=O)[O-])cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](N[*:1])C(=O)[O-]
Cc1ccc([C@@H](Nc2ccccc2)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)[C@@H](Nc1ccccc1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1F Clc1ccccc1[*:1] Cc1onc(c1C(=O)NCc1ccccc1F)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1F Fc1ccccc1[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)NC[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1F Fc1ccccc1C[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N[*:1]
C[C@@H](O)c1ccc(F)cc1OC[C@H]1CSc2ccccc21 C[C@@H](O)[*:1] Fc1ccc(c(c1)OC[C@H]1CSc2ccccc21)[*:1]
CCc1cc(CNC(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)on1 CCc1cc(C[*:1])on1 O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)N[*:1]
CCc1cc(CNC(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)on1 CCc1cc(on1)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)NC[*:1]
COC(=O)c1ccc(Cn2ccc([C@@H](C)O)c2)cc1 COC(=O)[*:1] C[C@@H](O)c1ccn(c1)Cc1ccc(cc1)[*:1]
COC(=O)c1ccc(Cn2ccc([C@@H](C)O)c2)cc1 C[C@@H](O)[*:1] COC(=O)c1ccc(cc1)Cn1ccc(c1)[*:1]
CC(C)=CC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F CC(C)=CC(=O)[*:1] O[C@](C[*:1])(c1ccccc1)C(F)(F)F
CC(C)=CC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] CC(C)=CC(=O)C[C@@](O)(C(F)(F)F)[*:1]
CC(C)=CC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F CC(C)=C[*:1] O=C(C[C@@](O)(c1ccccc1)C(F)(F)F)[*:1]
CC(C)=CC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F FC(F)(F)[*:1] CC(C)=CC(=O)C[C@@](O)(c1ccccc1)[*:1]
Cc1ccc(OCCN2C(=O)C(=O)c3cc(C)cc(Br)c32)cc1 Cc1ccc(cc1)[*:1] Cc1cc(Br)c2c(c1)C(=O)C(=O)N2CCO[*:1]
Cc1c(C(=O)O[C@H](C)c2ccc(C#N)cc2)c(=O)oc2ccccc12 N#Cc1ccc(cc1)[*:1] Cc1c(C(=O)O[C@H](C)[*:1])c(=O)oc2ccccc12
O=C(NC1CC1)c1ccc(OC[C@H]2CCCN2C(=O)c2c(F)cccc2F)cc1 Fc1cccc(F)c1[*:1] O=C(NC1CC1)c1ccc(cc1)OC[C@H]1CCCN1C(=O)[*:1]
O=C(NC1CC1)c1ccc(OC[C@H]2CCCN2C(=O)c2c(F)cccc2F)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(cc1)OC[C@H]1CCCN1C(=O)c1c(F)cccc1F
O=C(NC1CC1)c1ccc(OC[C@H]2CCCN2C(=O)c2c(F)cccc2F)cc1 O=C(NC1CC1)[*:1] O=C(c1c(F)cccc1F)N1CCC[C@@H]1COc1ccc(cc1)[*:1]
C#CCNC(=O)c1ccccc1NC(=O)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] C#CCNC(=O)c1ccccc1NC(=O)c1[nH]nc(c1Cl)[*:1]
C#CCNC(=O)c1ccccc1NC(=O)c1[nH]nc(C2CC2)c1Cl C#CC[*:1] O=C(N[*:1])c1ccccc1NC(=O)c1[nH]nc(c1Cl)C1CC1
C#CCNC(=O)c1ccccc1NC(=O)c1[nH]nc(C2CC2)c1Cl C#CCNC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1[nH]nc(c1Cl)C1CC1
Cc1cc([N+](=O)[O-])cnc1N1CCC(c2nc[nH]n2)CC1 c1nc(n[nH]1)[*:1] Cc1cc(cnc1N1CCC(CC1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1N1CCC(c2nc[nH]n2)CC1 O=[N+]([O-])[*:1] Cc1cc(cnc1N1CCC(CC1)c1nc[nH]n1)[*:1]
NC(=O)c1ccn(-c2ccc(NC(=O)CSCC(F)(F)F)cc2)n1 FC(F)(F)CSC[*:1] NC(=O)c1ccn(n1)-c1ccc(cc1)NC(=O)[*:1]
NC(=O)c1ccn(-c2ccc(NC(=O)CSCC(F)(F)F)cc2)n1 NC(=O)[*:1] O=C(CSCC(F)(F)F)Nc1ccc(cc1)-n1ccc(n1)[*:1]
NC(=O)c1ccn(-c2ccc(NC(=O)CSCC(F)(F)F)cc2)n1 FC(F)(F)[*:1] NC(=O)c1ccn(n1)-c1ccc(cc1)NC(=O)CSC[*:1]
NC(=O)c1ccn(-c2ccc(NC(=O)CSCC(F)(F)F)cc2)n1 FC(F)(F)C[*:1] NC(=O)c1ccn(n1)-c1ccc(cc1)NC(=O)CS[*:1]
NC(=O)c1ccn(-c2ccc(NC(=O)CSCC(F)(F)F)cc2)n1 FC(F)(F)CS[*:1] NC(=O)c1ccn(n1)-c1ccc(cc1)NC(=O)C[*:1]
NC(=O)c1ccn(-c2ccc(NC(=O)CSCC(F)(F)F)cc2)n1 NC(=O)c1ccn(n1)[*:1] O=C(CSCC(F)(F)F)Nc1ccc(cc1)[*:1]
COC(=O)c1cc2ccccc2cc1NC(=O)c1c[nH]c(=O)n(C)c1=O COC(=O)[*:1] Cn1c(=O)[nH]cc(C(=O)Nc2cc3ccccc3cc2[*:1])c1=O
COc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1 Fc1ccccc1[*:1] COc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)O[*:1])c1
COc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1 COc1cccc(c1)[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C=C[*:1]
COc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1 Fc1ccccc1O[*:1] COc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)[*:1])c1
CC(C)CCC[C@@H](C)NC(=O)[C@](C)(N)C(F)(F)F CC(C)CC[*:1] C[C@H](C[*:1])NC(=O)[C@](C)(N)C(F)(F)F
CC(C)CCC[C@@H](C)NC(=O)[C@](C)(N)C(F)(F)F CC(C)[*:1] C[C@H](CCC[*:1])NC(=O)[C@](C)(N)C(F)(F)F
CC(C)CCC[C@@H](C)NC(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CC(C)CCC[C@@H](C)NC(=O)[C@](C)(N)[*:1]
CC(C)CCC[C@@H](C)NC(=O)[C@](C)(N)C(F)(F)F CC(C)CCC[*:1] C[C@@H](NC(=O)[C@](C)(N)C(F)(F)F)[*:1]
CC(C)CCC[C@@H](C)NC(=O)[C@](C)(N)C(F)(F)F CC(C)C[*:1] C[C@H](CC[*:1])NC(=O)[C@](C)(N)C(F)(F)F
O=C(CSc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 Clc1ccc(cc1)[*:1] O=C(CS[*:1])N1CCN(CC1)c1ccc(Cl)cc1[N+](=O)[O-]
O=C(CSc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 Clc1ccc(cc1)SC[*:1] O=C(N1CCN(CC1)c1ccc(Cl)cc1[N+](=O)[O-])[*:1]
O=C(CSc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(CSc1ccc(Cl)cc1)N1CCN(CC1)c1ccc(Cl)cc1[*:1]
O=C(CSc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 Clc1ccc(cc1)S[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(Cl)cc1[N+](=O)[O-]
Cc1cc2c(cc1C)O[C@@H](C(=O)N1CSC[C@H]1C(=O)N(C)C)C2 CN(C)C(=O)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N1CSC[C@@H]1[*:1]
C[C@@H](Cc1ccsc1)NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 c1cc(cs1)C[*:1] C[C@@H](NC(=O)c1ccc(F)c(c1)S(=O)(=O)N(C)C)[*:1]
C[C@@H](Cc1ccsc1)NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] C[C@@H](Cc1ccsc1)NC(=O)c1ccc(F)c(c1)[*:1]
C[C@@H](Cc1ccsc1)NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 C[C@@H](Cc1ccsc1)[*:1] CN(C)S(=O)(=O)c1cc(ccc1F)C(=O)N[*:1]
C[C@@H](Cc1ccsc1)NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 c1cc(cs1)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(F)c(c1)S(=O)(=O)N(C)C
CC(C)Cc1nc(CNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)no1 CC(C)[*:1] O=C(NCc1noc(C[*:1])n1)[C@H]1CCCN(C1)c1cccc[nH+]1
CC(C)Cc1nc(CNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)no1 CC(C)C[*:1] O=C(NCc1noc(n1)[*:1])[C@H]1CCCN(C1)c1cccc[nH+]1
COCc1cc(NC(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)ncn1 C1CC1[*:1] COCc1cc(ncn1)NC(=O)N(C[C@H](O)c1ccc(F)cc1)[*:1]
COCc1cc(NC(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)ncn1 COC[*:1] O=C(Nc1cc(ncn1)[*:1])N(C[C@H](O)c1ccc(F)cc1)C1CC1
COCc1cc(NC(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)ncn1 Fc1ccc(cc1)[*:1] COCc1cc(ncn1)NC(=O)N(C[C@H](O)[*:1])C1CC1
O=C(c1ccc(CN2CCSCC2)cc1)c1cccc(F)c1 C1CN(CCS1)[*:1] O=C(c1ccc(cc1)C[*:1])c1cccc(F)c1
O=C(c1ccc(CN2CCSCC2)cc1)c1cccc(F)c1 C1CN(CCS1)C[*:1] O=C(c1ccc(cc1)[*:1])c1cccc(F)c1
O=C(c1ccc(CN2CCSCC2)cc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(c1ccc(cc1)CN1CCSCC1)[*:1]
C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 FC(F)(F)CO[*:1] C[C@H](C(=O)Nc1ccc(Cl)c(c1)C(=O)N(C)C)[*:1]
C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 FC(F)(F)[*:1] C[C@H](OC[*:1])C(=O)Nc1ccc(Cl)c(c1)C(=O)N(C)C
C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(Cl)c(c1)[*:1]
C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 FC(F)(F)C[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(Cl)c(c1)C(=O)N(C)C
CCO[C@H]1C[C@@H](NC(=O)N2CCOC(C)(C)C2)C12CCCC2 CCO[*:1] CC1(C)CN(CCO1)C(=O)N[C@@H]1C[C@@H](C12CCCC2)[*:1]
CC(C)C[C@H](C)OCCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CC(C)C[*:1] C[C@H](OCCC(=O)N1CCC[C@H](C1)c1nnc2ccccn12)[*:1]
CC(C)C[C@H](C)OCCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CC(C)C[C@H](C)O[*:1] O=C(CC[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
CC(C)C[C@H](C)OCCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CC(C)[*:1] C[C@@H](C[*:1])OCCC(=O)N1CCC[C@H](C1)c1nnc2ccccn12
CC(C)C[C@H](C)OCCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CC(C)C[C@H](C)[*:1] O=C(CCO[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
CC(C)C[C@H](C)OCCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CC(C)C[C@H](C)OC[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
c1ccc(Nc2cnc([C@H]3CCCN(c4ncccn4)C3)cn2)nc1 c1ccc(nc1)N[*:1] c1cnc(nc1)N1CCC[C@@H](C1)c1cnc(cn1)[*:1]
c1ccc(Nc2cnc([C@H]3CCCN(c4ncccn4)C3)cn2)nc1 c1ccc(nc1)[*:1] c1cnc(nc1)N1CCC[C@@H](C1)c1cnc(cn1)N[*:1]
c1ccc(Nc2cnc([C@H]3CCCN(c4ncccn4)C3)cn2)nc1 c1cnc(nc1)[*:1] c1ccc(nc1)Nc1cnc(cn1)[C@H]1CCCN(C1)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CCN(C[C@H](C)C#N)C(=O)Nc1ccn(C[*:1])n1
CCN(C[C@H](C)C#N)C(=O)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CCN(C[C@H](C)C#N)C(=O)Nc1ccn(n1)[*:1]
N#Cc1ccnc(N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)c1 Clc1cccc(c1)[*:1] N#Cc1ccnc(c1)N1CCC(CCC(=O)NC[*:1])CC1
N#Cc1ccnc(N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)c1 N#Cc1ccnc(c1)[*:1] O=C(CCC1CCN(CC1)[*:1])NCc1cccc(Cl)c1
N#Cc1ccnc(N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)c1 Clc1cccc(c1)C[*:1] N#Cc1ccnc(c1)N1CCC(CCC(=O)N[*:1])CC1
CCn1nc(C(=O)N2CCN(Cc3ccccc3F)CC2)c(=O)c2cc(Cl)ccc21 Fc1ccccc1C[*:1] CCn1nc(C(=O)N2CCN(CC2)[*:1])c(=O)c2cc(Cl)ccc21
CCn1nc(C(=O)N2CCN(Cc3ccccc3F)CC2)c(=O)c2cc(Cl)ccc21 Fc1ccccc1[*:1] CCn1nc(C(=O)N2CCN(CC2)C[*:1])c(=O)c2cc(Cl)ccc21
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cn[nH]n1 CC(C)[*:1] O=C(NNC(=O)[C@@H](Oc1cccc(Cl)c1)[*:1])c1cn[nH]n1
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cn[nH]n1 c1n[nH]nc1[*:1] CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[*:1]
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cn[nH]n1 Clc1cccc(c1)[*:1] CC(C)[C@H](O[*:1])C(=O)NNC(=O)c1cn[nH]n1
O=C([O-])c1cc(SCc2csc(-c3ccsc3)n2)ccn1 O=C([O-])[*:1] c1cc(cc(n1)[*:1])SCc1csc(n1)-c1ccsc1
O=C([O-])c1cc(SCc2csc(-c3ccsc3)n2)ccn1 c1cc(cs1)[*:1] O=C([O-])c1cc(ccn1)SCc1csc(n1)[*:1]
C[C@H](Cc1cccs1)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)N[C@@H]1CCC[C@@H](C1)C(F)(F)F
C[C@H](Cc1cccs1)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] C[C@H](Cc1cccs1)NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
C[C@H](Cc1cccs1)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 c1csc(c1)C[*:1] C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C1)C(F)(F)F)[*:1]
Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S[C@@H](C)C(=O)N[C@H](C)[*:1]
Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)N[C@H](C)c1ccccc1
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)(C)CC(C)C CN(C)S(=O)(=O)[*:1] COc1ccc(cc1NC(=O)C(C)(C)CC(C)C)[*:1]
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)(C)CC(C)C CC(C)CC(C)(C)[*:1] COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N(C)C
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)(C)CC(C)C CC(C)C[*:1] COc1ccc(cc1NC(=O)C(C)(C)[*:1])S(=O)(=O)N(C)C
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)(C)CC(C)C CC(C)[*:1] COc1ccc(cc1NC(=O)C(C)(C)C[*:1])S(=O)(=O)N(C)C
C[C@@H](O)CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] C[C@@H](O)CNC(=O)NCCC[NH+]1CCN(CC1)[*:1]
C[C@@H](O)CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 C[C@@H](O)C[*:1] O=C(NCCC[NH+]1CCN(CC1)c1ncccn1)N[*:1]
C[C@@H](O)CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 C[C@@H](O)[*:1] O=C(NCCC[NH+]1CCN(CC1)c1ncccn1)NC[*:1]
C[NH+](C)Cc1cccc(NC(=O)N(CC2CCCCC2)C2CC2)c1 C1CC1[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)N(CC1CCCCC1)[*:1]
C[NH+](C)Cc1cccc(NC(=O)N(CC2CCCCC2)C2CC2)c1 C1CCC(CC1)C[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)N(C1CC1)[*:1]
C[NH+](C)Cc1cccc(NC(=O)N(CC2CCCCC2)C2CC2)c1 C1CCC(CC1)[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)N(C[*:1])C1CC1
O=C(COc1ccccc1)N/N=C(/C=C/c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccccc1)NN=C(/C=C/c1ccccc1)[*:1]
O=C(COc1ccccc1)N/N=C(/C=C/c1ccccc1)c1ccccc1 c1ccc(cc1)O[*:1] O=C(C[*:1])N/N=C(/C=C/c1ccccc1)c1ccccc1
O=C(COc1ccccc1)N/N=C(/C=C/c1ccccc1)c1ccccc1 c1ccc(cc1)OC[*:1] O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)[*:1]
O=C(COc1ccccc1)N/N=C(/C=C/c1ccccc1)c1ccccc1 C(=C[*:1])c1ccccc1 O=C(COc1ccccc1)N/N=C(\c1ccccc1)[*:1]
O=C(COc1ccccc1)N/N=C(/C=C/c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CO[*:1])N/N=C(/C=C/c1ccccc1)c1ccccc1
O=C(COc1ccccc1)N/N=C(/C=C/c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccccc1)N/N=C(/C=C[*:1])c1ccccc1
CCCn1c(C)nnc1CS(=O)(=O)c1ncccc1Br CCC[*:1] Cc1nnc(CS(=O)(=O)c2ncccc2Br)n1[*:1]
O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 C1CO[C@@H](C1)CO[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H](C1)c1nc(no1)-c1ccc(F)cc1
O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 Fc1ccc(cc1)[*:1] O=C(c1ccc(cc1)OC[C@@H]1CCCO1)N1CCC[C@H](C1)c1nc(no1)[*:1]
CC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F CC(=O)[*:1] Fc1ccc(c(F)c1)[C@H]1C[C@H]1[*:1]
COCC[NH+](C)Cc1c(C)cc(C)c(C(C)=O)c1C COCC[*:1] CC(=O)c1c(C)cc(C)c(C[NH+](C)[*:1])c1C
COCC[NH+](C)Cc1c(C)cc(C)c(C(C)=O)c1C COC[*:1] CC(=O)c1c(C)cc(C)c(C[NH+](C)C[*:1])c1C
COCC[NH+](C)Cc1c(C)cc(C)c(C(C)=O)c1C CC(=O)[*:1] COCC[NH+](C)Cc1c(C)cc(C)c(c1C)[*:1]
CCc1nc2ccccc2n1C1CCN(C(=O)Cc2cccs2)CC1 c1csc(c1)[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)C[*:1]
CCc1nc2ccccc2n1C1CCN(C(=O)Cc2cccs2)CC1 c1csc(c1)C[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)[*:1]
Cc1ncncc1C(=O)N1CCCN(Cc2ncc(Cl)n2C)CC1 Cn1c(Cl)cnc1[*:1] Cc1ncncc1C(=O)N1CCCN(CC1)C[*:1]
Cc1ncncc1C(=O)N1CCCN(Cc2ncc(Cl)n2C)CC1 Cc1ncncc1[*:1] Cn1c(Cl)cnc1CN1CCCN(CC1)C(=O)[*:1]
Cc1ncncc1C(=O)N1CCCN(Cc2ncc(Cl)n2C)CC1 Cn1c(Cl)cnc1C[*:1] Cc1ncncc1C(=O)N1CCCN(CC1)[*:1]
O=C([O-])CSC(=S)N1CCCCC1 O=C([O-])[*:1] S=C(SC[*:1])N1CCCCC1
O=C([O-])CSC(=S)N1CCCCC1 O=C([O-])C[*:1] S=C(S[*:1])N1CCCCC1
Cc1cccc(C(=O)N2CC(OCc3ccc(F)cc3Cl)C2)c1 Cc1cccc(c1)[*:1] O=C(N1CC(C1)OCc1ccc(F)cc1Cl)[*:1]
C[C@H](Nc1ccn(Cc2ccccn2)n1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](Nc1ccn(Cc2ccccn2)n1)C(=O)N[*:1]
C[C@H](Nc1ccn(Cc2ccccn2)n1)C(=O)Nc1cccc(F)c1 c1ccc(nc1)[*:1] C[C@H](Nc1ccn(C[*:1])n1)C(=O)Nc1cccc(F)c1
C[C@H](Nc1ccn(Cc2ccccn2)n1)C(=O)Nc1cccc(F)c1 c1ccc(C[*:1])nc1 C[C@H](Nc1ccn(n1)[*:1])C(=O)Nc1cccc(F)c1
CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)CCC(F)(F)F)C1 O=C(CCC(F)(F)F)N[*:1] CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](C1)[*:1]
CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)CCC(F)(F)F)C1 FC(F)(F)C[*:1] CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](C1)NC(=O)C[*:1]
CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)CCC(F)(F)F)C1 Fc1ccc(cc1)[*:1] CC1(C)Cc2c(cnn2[*:1])[C@H](C1)NC(=O)CCC(F)(F)F
CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)CCC(F)(F)F)C1 FC(F)(F)[*:1] CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](C1)NC(=O)CC[*:1]
CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)CCC(F)(F)F)C1 FC(F)(F)CC[*:1] CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](C1)NC(=O)[*:1]
O=C(c1cnc([C@H]2CCCO2)s1)N1CCSC2(CCCCC2)C1 C1CO[C@H](C1)[*:1] O=C(c1cnc(s1)[*:1])N1CCSC2(CCCCC2)C1
O=C(CCc1cccnc1)NCCc1cccc(F)c1 c1cncc(c1)[*:1] O=C(CC[*:1])NCCc1cccc(F)c1
CC(C)C(=O)N1CCC(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)CC1 C1CCC(C1)[*:1] CC(C)C(=O)N1CCC(CC1)C(=O)N[C@H]1CCCC[C@H]1O[*:1]
CC(C)C(=O)N1CCC(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)CC1 CC(C)[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)C1CCN(CC1)C(=O)[*:1]
CC(C)C(=O)N1CCC(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)CC1 C1CCC(C1)O[*:1] CC(C)C(=O)N1CCC(CC1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1cn(C)c2ccccc12 FC(F)(F)c1cccc(c1)[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)N[*:1])[C@@H]1c1cn(C)c2ccccc12
CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1cn(C)c2ccccc12 FC(F)(F)[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(c2)[*:1])[C@@H]1c1cn(C)c2ccccc12
CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1cn(C)c2ccccc12 Cn1cc(c2ccccc21)[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(c2)C(F)(F)F)[C@H]1[*:1]
C[NH2+]C1CCC([NH+](C)CCC2CC2)CC1 C1CC1CC[*:1] C[NH2+]C1CCC(CC1)[NH+](C)[*:1]
C[NH2+]C1CCC([NH+](C)CCC2CC2)CC1 C1CC1C[*:1] C[NH2+]C1CCC(CC1)[NH+](C)C[*:1]
C[NH2+]C1CCC([NH+](C)CCC2CC2)CC1 C1CC1[*:1] C[NH2+]C1CCC(CC1)[NH+](C)CC[*:1]
O=C(c1cccc2cc[nH]c12)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(c1cccc2cc[nH]c12)N(C[C@H]1CCCO1)[*:1]
O=C(c1cccc2cc[nH]c12)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 C1CO[C@H](C1)C[*:1] O=C(c1cccc2cc[nH]c12)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(c1cccc2cc[nH]c12)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 C1CO[C@H](C1)[*:1] O=C(c1cccc2cc[nH]c12)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1cn(nc1NC(=O)C(=O)NC[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCc1cccc(F)c1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)C(=O)NCc1cccc(F)c1)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCc1cccc(F)c1 Fc1cccc(c1)C[*:1] Cc1cn(nc1NC(=O)C(=O)N[*:1])-c1ccccc1Cl
CC(C)CCOc1ccc(NC(=O)c2ccccc2-c2cncnc2)cc1 CC(C)CC[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccccc1-c1cncnc1
CC(C)CCOc1ccc(NC(=O)c2ccccc2-c2cncnc2)cc1 CC(C)CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1-c1cncnc1
CC(C)CCOc1ccc(NC(=O)c2ccccc2-c2cncnc2)cc1 c1ncc(cn1)[*:1] CC(C)CCOc1ccc(cc1)NC(=O)c1ccccc1[*:1]
CC(C)CCOc1ccc(NC(=O)c2ccccc2-c2cncnc2)cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1ccccc1-c1cncnc1
CC(C)CCOc1ccc(NC(=O)c2ccccc2-c2cncnc2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)OCC[*:1])c1ccccc1-c1cncnc1
COc1ccc([C@H](NC(=O)c2cc(C)nc3onc(C)c23)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1cc(C)nc2onc(C)c12)[*:1]
COc1ccc([C@H](NC(=O)c2cc(C)nc3onc(C)c23)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C(=O)N[C@H](C2CCOCC2)[*:1])c2c(C)noc2n1
CCc1nn(C)cc1NC(=O)Nc1cc(F)ccc1SCC(F)F FC(F)[*:1] CCc1nn(C)cc1NC(=O)Nc1cc(F)ccc1SC[*:1]
CCc1nn(C)cc1NC(=O)Nc1cc(F)ccc1SCC(F)F CCc1nn(C)cc1[*:1] O=C(Nc1cc(F)ccc1SCC(F)F)N[*:1]
CCc1nn(C)cc1NC(=O)Nc1cc(F)ccc1SCC(F)F FC(F)CS[*:1] CCc1nn(C)cc1NC(=O)Nc1cc(F)ccc1[*:1]
CCc1nn(C)cc1NC(=O)Nc1cc(F)ccc1SCC(F)F FC(F)C[*:1] CCc1nn(C)cc1NC(=O)Nc1cc(F)ccc1S[*:1]
CC[C@@]1(c2ccc(NC(=O)C(=O)NC[C@H](C)O)cc2)CCC(=O)NC1=O C[C@H](O)C[*:1] CC[C@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)C(=O)N[*:1]
CC[C@@]1(c2ccc(NC(=O)C(=O)NC[C@H](C)O)cc2)CCC(=O)NC1=O C[C@H](O)[*:1] CC[C@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
CN(CC1=NC(=O)[C@@H]2SC=CC2=N1)C(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CN(CC1=NC(=O)[C@@H]2SC=CC2=N1)C(=O)[*:1]
C=CCN(Cc1ncn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] C=CCN(Cc1ncn(n1)[*:1])[C@H]1CCS(=O)(=O)C1
C=CCN(Cc1ncn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 C=CC[*:1] O=S1(=O)CC[C@@H](C1)N(Cc1ncn(n1)-c1ccccc1)[*:1]
C[C@@]12C[C@H](O)C(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO O=C(CO)[*:1] C[C@@]12C[C@H](O)C(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)[*:1]
CCCCC12CN3CCN(CC(C3)/C1=N\NC(=S)Nc1cccc(Cl)c1)C2 Clc1cccc(c1)[*:1] CCCCC12CN3CCN(CC(C3)/C1=N\NC(=S)N[*:1])C2
CCCCC12CN3CCN(CC(C3)/C1=N\NC(=S)Nc1cccc(Cl)c1)C2 CCCC[*:1] S=C(N/N=C1\C2CN3CCN(C2)CC1(C3)[*:1])Nc1cccc(Cl)c1
CCCCC12CN3CCN(CC(C3)/C1=N\NC(=S)Nc1cccc(Cl)c1)C2 CCC[*:1] S=C(N/N=C1\C2CN3CCN(C2)CC1(C3)C[*:1])Nc1cccc(Cl)c1
CCc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 CCc1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCC[C@@H]1c1nc2ccccc2[nH]1
CC(C)CN(Cn1nc(Nc2ccccc2F)sc1=S)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=S1(=O)CC[C@@H](C1)N(Cn1nc(Nc2ccccc2F)sc1=S)C[*:1]
CC(C)CN(Cn1nc(Nc2ccccc2F)sc1=S)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1N[*:1] CC(C)CN(Cn1nc(sc1=S)[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)CN(Cn1nc(Nc2ccccc2F)sc1=S)[C@H]1CCS(=O)(=O)C1 CC(C)C[*:1] O=S1(=O)CC[C@@H](C1)N(Cn1nc(Nc2ccccc2F)sc1=S)[*:1]
CC(C)CN(Cn1nc(Nc2ccccc2F)sc1=S)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] CC(C)CN(Cn1nc(N[*:1])sc1=S)[C@H]1CCS(=O)(=O)C1
CCOC(=O)COC(=O)c1ccn(C(C)C)n1 CC(C)[*:1] CCOC(=O)COC(=O)c1ccn(n1)[*:1]
CCOC(=O)COC(=O)c1ccn(C(C)C)n1 CCOC(=O)[*:1] CC(C)n1ccc(n1)C(=O)OC[*:1]
Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(cc(C)c1NC(=O)[*:1])-n1cnnc1
Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccccc1 c1nncn1[*:1] Cc1cc(cc(C)c1NC(=O)c1ccccc1)[*:1]
Cc1cccc(C)c1-n1nnnc1SCC(=O)NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1-n1nnnc1SCC(=O)NC(=O)C[*:1]
Cc1cccc(C)c1-n1nnnc1SCC(=O)NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cccc(C)c1-n1nnnc1SCC(=O)NC(=O)[*:1]
Cc1cccc(C)c1-n1nnnc1SCC(=O)NC(=O)Cc1ccccc1 Cc1cccc(C)c1[*:1] O=C(CSc1nnnn1[*:1])NC(=O)Cc1ccccc1
COc1cc(C)ccc1C[NH+]1CCC(c2ncc3c(n2)CC[NH+](C)C3)CC1 COc1cc(C)ccc1[*:1] C[NH+]1CCc2nc(ncc2C1)C1CC[NH+](CC1)C[*:1]
CN(C[C@H](CS)c1ccccc1)c1ccccc1F c1ccc(cc1)[*:1] CN(C[C@H](CS)[*:1])c1ccccc1F
COC(=O)[C@H](C)Nc1ccc(C(=O)N(C)C)cn1 COC(=O)[*:1] C[C@H](Nc1ccc(cn1)C(=O)N(C)C)[*:1]
COC(=O)[C@H](C)Nc1ccc(C(=O)N(C)C)cn1 COC(=O)[C@H](C)[*:1] CN(C)C(=O)c1ccc(nc1)N[*:1]
COC(=O)[C@H](C)Nc1ccc(C(=O)N(C)C)cn1 CN(C)C(=O)[*:1] COC(=O)[C@H](C)Nc1ccc(cn1)[*:1]
CC[C@](C)([C@@H]([NH2+]C)c1cc(Cl)cnc1N)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@](C)([C@@H]([NH2+]C)c1cc(Cl)cnc1N)[*:1]
Cc1csc([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 Cc1csc(n1)[*:1] O=C(CCc1ccccc1)N1CCCC[C@@H]1[*:1]
Cc1csc([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@H]1CCCCN1C(=O)CC[*:1]
Cc1csc([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)[C@H]1CCCCN1C(=O)C[*:1]
CCC(CC)=NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCC(CC)=NOc1ccc(cc1[N+](=O)[O-])[*:1]
CCC(CC)=NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCC(CC)=NOc1ccc(cc1[*:1])[N+](=O)[O-]
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 O=S(=O)(N1CCCCC1)[*:1] O=C(c1ccc(cc1)[*:1])N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCCC1)N([C@@H]1C=CS(=O)(=O)C1)[*:1]
COCC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)COC2 COCC[C@H](C)[*:1] O=C(Nc1ccc2COCc2c1)C(=O)N[*:1]
COCC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)COC2 COCC[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2COCc2c1)[*:1]
COCC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)COC2 COC[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc2COCc2c1
COc1cccc(C(=O)NC(=S)Nc2cccc3ccccc23)c1 COc1cccc(c1)[*:1] O=C(NC(=S)Nc1cccc2ccccc12)[*:1]
CON(C)C(=O)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 CON(C)C(=O)[*:1] FC(F)(F)c1ccc(cc1)-n1nnc(n1)[*:1]
CON(C)C(=O)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] CON(C)C(=O)c1nnn(n1)-c1ccc(cc1)[*:1]
Cc1ocnc1CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ocnc1CNC(=O)N1CCC[C@H]1[*:1]
Cc1ocnc1CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 Cc1ocnc1C[*:1] O=C(N[*:1])N1CCC[C@@H]1c1ccc(F)cc1
Cc1ocnc1CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 Cc1ocnc1[*:1] O=C(NC[*:1])N1CCC[C@@H]1c1ccc(F)cc1
Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O CS(=O)(=O)N[*:1] Cc1nc(sc1[C@H](C)[NH2+]CC(C)(C)[*:1])C(C)C
Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O CC(C)[*:1] Cc1nc(sc1[C@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)[*:1]
COC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CC[C@H](C)C2 Cc1cccc(O[*:1])c1C COC(=O)c1c(NC(=O)C[*:1])sc2C[C@@H](C)CCc21
COC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CC[C@H](C)C2 COC(=O)[*:1] Cc1cccc(OCC(=O)Nc2sc3C[C@@H](C)CCc3c2[*:1])c1C
COC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CC[C@H](C)C2 Cc1cccc(c1C)[*:1] COC(=O)c1c(NC(=O)CO[*:1])sc2C[C@@H](C)CCc21
COCC[NH2+]C[C@@H](O)Cc1ccc(O)cc1 COC[*:1] Oc1ccc(cc1)C[C@H](O)C[NH2+]C[*:1]
COCC[NH2+]C[C@@H](O)Cc1ccc(O)cc1 COCC[*:1] Oc1ccc(cc1)C[C@H](O)C[NH2+][*:1]
Nc1ccc(C(=O)Nc2ccccc2SC(F)F)cc1[N+](=O)[O-] FC(F)[*:1] Nc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1S[*:1]
Nc1ccc(C(=O)Nc2ccccc2SC(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ccc(cc1[*:1])C(=O)Nc1ccccc1SC(F)F
Nc1ccc(C(=O)Nc2ccccc2SC(F)F)cc1[N+](=O)[O-] FC(F)S[*:1] Nc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1[*:1]
CC(C)CNC(=O)Nc1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC(C)CNC(=O)Nc1cccc(c1)OC[*:1]
CC(C)CNC(=O)Nc1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)CO[*:1] CC(C)CNC(=O)Nc1cccc(c1)[*:1]
CC(C)CNC(=O)Nc1cccc(OCC(=O)N(C)C)c1 CC(C)[*:1] CN(C)C(=O)COc1cccc(c1)NC(=O)NC[*:1]
CC(C)CNC(=O)Nc1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] CC(C)CNC(=O)Nc1cccc(c1)O[*:1]
CC(C)CNC(=O)Nc1cccc(OCC(=O)N(C)C)c1 CC(C)C[*:1] CN(C)C(=O)COc1cccc(c1)NC(=O)N[*:1]
CC[C@H](C)[C@@H](O)[C@]1(C[NH3+])CCc2ccccc2C1 CC[C@H](C)[C@@H](O)[*:1] [NH3+]C[C@@]1(CCc2ccccc2C1)[*:1]
CC[C@H](C)[C@@H](O)[C@]1(C[NH3+])CCc2ccccc2C1 CC[C@H](C)[*:1] [NH3+]C[C@]1(CCc2ccccc2C1)[C@H](O)[*:1]
Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(NC[C@@H](N2CCOCC2)[*:1])c2ncccc12
Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)N2CCOCC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@@H](CNc1ccc(c2cccnc12)[*:1])N1CCOCC1
Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](CNc1ccc(c2cccnc12)[N+](=O)[O-])[*:1]
O=C([O-])c1ncoc1-c1cc(F)cc(F)c1 O=C([O-])[*:1] Fc1cc(F)cc(c1)-c1ocnc1[*:1]
Cc1cc(C[NH2+]C2CC2)ccc1-c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(ccc1-c1cccc(c1)[*:1])C[NH2+]C1CC1
CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1nc(cs1)[*:1]
CC(C)(C)CC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)C[*:1]
CC(C)(C)CC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(C)CC(=O)N1CCC[C@H]1CNC(=O)O[*:1]
CC(C)(C)CC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C CC(C)(C)C[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)[*:1]
Cc1cc(NC(=O)NCC(C)C)n(-c2nc(C)c(C)c([O-])n2)[nH+]1 CC(C)C[*:1] Cc1cc(NC(=O)N[*:1])n([nH+]1)-c1nc(C)c(C)c([O-])n1
Cc1cc(NC(=O)NCC(C)C)n(-c2nc(C)c(C)c([O-])n2)[nH+]1 CC(C)[*:1] Cc1cc(NC(=O)NC[*:1])n([nH+]1)-c1nc(C)c(C)c([O-])n1
CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCC(C)CC3)CC2=O)cc1 CC(=O)N[*:1] CC1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CO/N=C/c1ccc(/C([O-])=N/S(=O)(=O)c2cc(C)ccc2C)cc1 CON=C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)/N=C(\[O-])c1ccc(cc1)[*:1]
CO/N=C/c1ccc(/C([O-])=N/S(=O)(=O)c2cc(C)ccc2C)cc1 Cc1ccc(C)c(c1)[*:1] CO/N=C/c1ccc(cc1)/C([O-])=N/S(=O)(=O)[*:1]
Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)N4CCOCC4)CC3)c2)no1 O=C(N1CCOCC1)[*:1] Cc1nc(no1)-c1cccc(c1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)N4CCOCC4)CC3)c2)no1 Cc1nc(no1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1])N1CCOCC1
O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)N1CCc2ccccc21 c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1CC[*:1])N1CCc2ccccc21
O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)N1CCc2ccccc21 c1ccc(cc1)CC[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])N1CCc2ccccc21
O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)N1CCc2ccccc21 c1ccc(cc1)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1C[*:1])N1CCc2ccccc21
Cc1cnc([C@@H](C)[NH2+]C(C)C)s1 CC(C)[*:1] Cc1cnc(s1)[C@@H](C)[NH2+][*:1]
CCOc1ccc([C@H]2C(C(C)=O)=C(C)NC3=C2C(=O)CCC3)cc1OC CC(=O)[*:1] CCOc1ccc(cc1OC)[C@@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
CCOc1ccc([C@H]2C(C(C)=O)=C(C)NC3=C2C(=O)CCC3)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H]1C(C(C)=O)=C(C)NC2CCCC(=O)C=21
CS(=O)(=O)N1CCC[C@H](NC(=O)CCCc2cc(F)ccc2F)C1 Fc1ccc(F)c(c1)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)CCC[*:1]
C1CC([NH2+][C@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 C1CC(C1)[NH2+][*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCC[C@@H]1[*:1]
C1CC([NH2+][C@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 C1CC(C1)[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCC[C@@H]1[NH2+][*:1]
CC(C)(C)[C@@](O)(Cn1cncn1)[C@H]1O[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C)[C@@](O)(Cn1cncn1)[C@H]1O[C@@H]1[*:1]
CC(C)(C)[C@@](O)(Cn1cncn1)[C@H]1O[C@H]1c1ccc(Cl)cc1 CC(C)(C)[*:1] O[C@@](Cn1cncn1)([C@H]1O[C@H]1c1ccc(Cl)cc1)[*:1]
CC(C)(C)[C@@](O)(Cn1cncn1)[C@H]1O[C@H]1c1ccc(Cl)cc1 c1ncn(n1)[*:1] CC(C)(C)[C@@](O)(C[*:1])[C@H]1O[C@H]1c1ccc(Cl)cc1
CC(C)(C)[C@@](O)(Cn1cncn1)[C@H]1O[C@H]1c1ccc(Cl)cc1 c1ncn(C[*:1])n1 CC(C)(C)[C@@](O)([C@H]1O[C@H]1c1ccc(Cl)cc1)[*:1]
CC(C)c1ccc(-c2noc(CCC(=O)N3CCO[C@H](C)C3)n2)cc1 CC(C)[*:1] C[C@@H]1CN(CCO1)C(=O)CCc1nc(no1)-c1ccc(cc1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 Cc1cc(ccc1[*:1])[N+](=O)[O-] C[C@H](C(=O)N[*:1])N1CC[NH+](CC1)Cc1ccc2OCOc2c1
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)N1CC[NH+](CC1)Cc1ccc2OCOc2c1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)N1CC[NH+](CC1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)N1CC[NH+](CC1)C[*:1])[N+](=O)[O-]
O=S1(=O)C[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H](S(=O)(=O)c2ccc3c(c2)CCCC3)C1 Clc1ccc(cc1)C[*:1] O=S1(=O)C[C@H]([NH2+][*:1])[C@H](C1)S(=O)(=O)c1ccc2CCCCc2c1
O=S1(=O)C[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H](S(=O)(=O)c2ccc3c(c2)CCCC3)C1 Clc1ccc(cc1)[*:1] O=S1(=O)C[C@H]([NH2+]C[*:1])[C@H](C1)S(=O)(=O)c1ccc2CCCCc2c1
CCN(CC(C)(C)O)C(=O)CNC(=O)c1ccccc1F CC(C)(O)C[*:1] CCN(C(=O)CNC(=O)c1ccccc1F)[*:1]
CCN(CC(C)(C)O)C(=O)CNC(=O)c1ccccc1F Fc1ccccc1[*:1] CCN(CC(C)(C)O)C(=O)CNC(=O)[*:1]
CCN(CC(C)(C)O)C(=O)CNC(=O)c1ccccc1F CC(C)(O)[*:1] CCN(C[*:1])C(=O)CNC(=O)c1ccccc1F
O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)C1CCCC1 c1ccc(cc1)[*:1] O=C(NCCOc1ccc2nnc(n2n1)[*:1])C1CCCC1
O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)C1CCCC1 O=C(N[*:1])C1CCCC1 c1ccc(cc1)-c1nnc2ccc(nn12)OCC[*:1]
O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)C1CCCC1 C1CCC(C1)[*:1] O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)[*:1]
CSC[C@@H](C)[NH2+]Cc1ccc2c(c1)=C(C)[C@@H](C)[NH+]=2 CSC[*:1] CC1=c2cc(ccc2=[NH+][C@@H]1C)C[NH2+][C@H](C)[*:1]
CSC[C@@H](C)[NH2+]Cc1ccc2c(c1)=C(C)[C@@H](C)[NH+]=2 CSC[C@@H](C)[*:1] CC1=c2cc(ccc2=[NH+][C@@H]1C)C[NH2+][*:1]
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1ncn(n1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(cc1)-n1cncn1)N1CCN(CC1)S(=O)(=O)[*:1]
CCOCCN(C)C(=O)C(=O)N1CC[C@H](C)c2ccccc21 CCOC[*:1] C[C@H]1CCN(C(=O)C(=O)N(C)C[*:1])c2ccccc21
CCOCCN(C)C(=O)C(=O)N1CC[C@H](C)c2ccccc21 CCOCC[*:1] C[C@H]1CCN(C(=O)C(=O)N(C)[*:1])c2ccccc21
CCOCCN(C)C(=O)C(=O)N1CC[C@H](C)c2ccccc21 CCO[*:1] C[C@H]1CCN(C(=O)C(=O)N(C)CC[*:1])c2ccccc21
Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(Cl)cc4)[C@H]3C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(CN1N=N[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1])Nc1ccc(Cl)cc1
Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(Cl)cc4)[C@H]3C2=O)cc1C Clc1ccc(cc1)[*:1] Cc1ccc(cc1C)N1C(=O)[C@@H]2N=NN(CC(=O)N[*:1])[C@H]2C1=O
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(N[*:1])c1ccc(cc1)-n1cncn1
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
C(#Cc1ccccc1)C[NH2+]CCCN1CCOCC1 c1ccc(cc1)[*:1] C(#C[*:1])C[NH2+]CCCN1CCOCC1
C(#Cc1ccccc1)C[NH2+]CCCN1CCOCC1 C1CN(CCO1)[*:1] C(#Cc1ccccc1)C[NH2+]CCC[*:1]
C[C@@H]1CN(CC(N)=O)CC[C@@H]1[NH3+] NC(=O)[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])C[*:1]
C[C@@H]1CN(CC(N)=O)CC[C@@H]1[NH3+] NC(=O)C[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])[*:1]
COc1ccc(OC)c(-n2c(C)c(C)n3c4c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c4nc23)c1 CC(=O)[*:1] COc1ccc(OC)c(c1)-n1c(C)c(C)n2c3c(=O)n(c(=O)n(C)c3nc12)[C@H](C)[*:1]
COc1ccc(OC)c(-n2c(C)c(C)n3c4c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c4nc23)c1 COc1ccc(OC)c(c1)[*:1] CC(=O)[C@@H](C)n1c(=O)c2c(nc3n(c(C)c(C)n23)[*:1])n(C)c1=O
Nc1cccc(CN(C(=O)N2CCCCC2)C2CC2)c1 C1CC1[*:1] Nc1cccc(c1)CN(C(=O)N1CCCCC1)[*:1]
COC(=O)c1cscc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 COC(=O)[*:1] Cc1cc(sc1C(=O)[O-])S(=O)(=O)[N-]c1cscc1[*:1]
COC(=O)c1cscc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 O=C([O-])[*:1] COC(=O)c1cscc1[N-]S(=O)(=O)c1cc(C)c(s1)[*:1]
CCCC(=O)Nc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)cs1 CCC[*:1] CS(=O)(=O)[N-]c1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
CCCC(=O)Nc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)cs1 CCCC(=O)N[*:1] CS(=O)(=O)[N-]c1ccc(cc1)-c1csc(n1)[*:1]
CC1(C)C[C@@H](Nc2ccc(Cl)c(C(=O)[O-])c2)C(C)(C)O1 O=C([O-])[*:1] CC1(C)C[C@@H](Nc2ccc(Cl)c(c2)[*:1])C(C)(C)O1
COC(=O)[C@@H](Cl)Cc1ccc(Cl)cc1F COC(=O)[*:1] Fc1cc(Cl)ccc1C[C@H](Cl)[*:1]
COC[C@H](C)[NH2+][C@H](Cc1ccccc1)C1CC1 COC[*:1] C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)[*:1]
COC[C@H](C)[NH2+][C@H](Cc1ccccc1)C1CC1 C1CC1[*:1] COC[C@H](C)[NH2+][C@H](Cc1ccccc1)[*:1]
CC(=O)Nc1cc(C(=O)NCCOCC(F)(F)F)ccc1C FC(F)(F)COC[*:1] CC(=O)Nc1cc(ccc1C)C(=O)NC[*:1]
CC(=O)Nc1cc(C(=O)NCCOCC(F)(F)F)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)NCCOCC(F)(F)F
CC(=O)Nc1cc(C(=O)NCCOCC(F)(F)F)ccc1C FC(F)(F)C[*:1] CC(=O)Nc1cc(ccc1C)C(=O)NCCO[*:1]
CC(=O)Nc1cc(C(=O)NCCOCC(F)(F)F)ccc1C FC(F)(F)CO[*:1] CC(=O)Nc1cc(ccc1C)C(=O)NCC[*:1]
CC(=O)Nc1cc(C(=O)NCCOCC(F)(F)F)ccc1C FC(F)(F)[*:1] CC(=O)Nc1cc(ccc1C)C(=O)NCCOC[*:1]
COC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nc1C O=C([O-])[*:1] COC(=O)c1sc(nc1C)NC(=O)[C@H]1CC=CC[C@@H]1[*:1]
COC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nc1C COC(=O)[*:1] Cc1nc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc1[*:1]
O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)c1ccc2c(c1)OCO2 O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1[*:1])OCC(=O)c1ccc2OCOc2c1
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2ccc(-n3ccnc3)cc2)O1 c1cn(cn1)[*:1] CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2ccc(cc2)[*:1])O1
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2ccc(-n3ccnc3)cc2)O1 CN(C)C(=O)[*:1] O=C(NCc1ccc(cc1)-n1ccnc1)NC[C@H]1CC[C@H](O1)[*:1]
Cc1cncc(NC(=O)c2ccc(-n3ccnc3)nc2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])c1ccc(nc1)-n1ccnc1
Cc1cncc(NC(=O)c2ccc(-n3ccnc3)nc2)c1 c1cn(cn1)[*:1] Cc1cncc(c1)NC(=O)c1ccc(nc1)[*:1]
O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)NC1CCCCCC1 O=C(NC1CCCCCC1)[*:1] Fc1ccc(cc1)-n1c(C[NH+]2CCCCC2)nnc1SC[*:1]
O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)N[*:1]
O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)NC1CCCCCC1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(C[NH+]2CCCCC2)n1[*:1])NC1CCCCCC1
N/C(=N\OC(=O)c1c(Cl)cccc1Cl)c1cccnc1 c1cncc(c1)[*:1] N/C(=N\OC(=O)c1c(Cl)cccc1Cl)[*:1]
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCCn1ccnn1 c1cn(CCC[*:1])nn1 CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)[*:1]
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCCn1ccnn1 c1cn(nn1)[*:1] CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCC[*:1]
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCCn1ccnn1 c1cn(CC[*:1])nn1 CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)C[*:1]
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCCn1ccnn1 CC(C)[*:1] O=C(CCCn1ccnn1)Nc1cc(Cl)ccc1C(=O)N[*:1]
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CC[*:1]
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCCn1ccnn1 CC(C)NC(=O)[*:1] O=C(CCCn1ccnn1)Nc1cc(Cl)ccc1[*:1]
c1ccc2c(C[NH+]3CCC(CCN4CCOCC4)CC3)cccc2c1 C1CN(CCO1)C[*:1] c1ccc2c(cccc2c1)C[NH+]1CCC(CC1)C[*:1]
c1ccc2c(C[NH+]3CCC(CCN4CCOCC4)CC3)cccc2c1 C1CN(CCO1)[*:1] c1ccc2c(cccc2c1)C[NH+]1CCC(CC1)CC[*:1]
c1ccc2c(C[NH+]3CCC(CCN4CCOCC4)CC3)cccc2c1 C1CN(CCO1)CC[*:1] c1ccc2c(cccc2c1)C[NH+]1CCC(CC1)[*:1]
CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C4CC4)CC3)cc2n1 CC(C)[*:1] O=C(C1CC1)N1CCC(CC1)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C4CC4)CC3)cc2n1 FC(F)(F)[*:1] CC(C)c1cc(n2nc(cc2n1)C1CCN(CC1)C(=O)C1CC1)[*:1]
CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C4CC4)CC3)cc2n1 C1CC1[*:1] CC(C)c1cc(n2nc(cc2n1)C1CCN(CC1)C(=O)[*:1])C(F)(F)F
CCc1ccc2oc(C(=O)N(Cc3ccc(C(C)C)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 CC(C)[*:1] CCc1ccc2oc(cc(=O)c2c1)C(=O)N(Cc1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
CCc1ccc2oc(C(=O)N(Cc3ccc(C(C)C)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 CC(C)c1ccc(cc1)[*:1] CCc1ccc2oc(cc(=O)c2c1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCc1ccc2oc(C(=O)N(Cc3ccc(C(C)C)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 CC(C)c1ccc(cc1)C[*:1] CCc1ccc2oc(cc(=O)c2c1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C([O-])CCCNC(=O)CN1CSCC1=O O=C([O-])C[*:1] O=C(CN1CSCC1=O)NCC[*:1]
O=C([O-])CCCNC(=O)CN1CSCC1=O O=C([O-])[*:1] O=C(CN1CSCC1=O)NCCC[*:1]
O=C([O-])CCCNC(=O)CN1CSCC1=O O=C([O-])CC[*:1] O=C(CN1CSCC1=O)NC[*:1]
C[C@@H](NC(=O)/C(C#N)=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)/C(C#N)=C/c1sc(nc1-c1ccccc1)[*:1])c1ccccc1
C[C@@H](NC(=O)/C(C#N)=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)/C(C#N)=C/c1sc(nc1-c1ccccc1)N1CCOCC1)[*:1]
C[C@@H](NC(=O)/C(C#N)=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)/C(C#N)=C/c1sc(nc1[*:1])N1CCOCC1)c1ccccc1
C[C@@H](NC(=O)/C(C#N)=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] N#C/C(=C\c1sc(nc1-c1ccccc1)N1CCOCC1)C(=O)N[*:1]
CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)c(F)c1 NS(=O)(=O)[*:1] CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(c(F)c1)[*:1]
CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)c(F)c1 CC(C)[*:1] NS(=O)(=O)c1ccc(cc1F)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
O=C([C@@H]1CCCO1)N1CCN(C(=S)Nc2cc(F)cc(F)c2)CC1 Fc1cc(F)cc(c1)[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)C(=S)N[*:1]
CC[C@@H](NC(=O)NCc1ccc([S@@](C)=O)cc1)c1ccncc1 C[S@@](=O)[*:1] CC[C@@H](NC(=O)NCc1ccc(cc1)[*:1])c1ccncc1
CC[C@@H](NC(=O)NCc1ccc([S@@](C)=O)cc1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)NCc1ccc(cc1)[S@@](C)=O)[*:1]
CSCCCNC(=O)NCCn1c(=O)oc2ccccc21 CSCC[*:1] O=C(NCCn1c(=O)oc2ccccc21)NC[*:1]
CSCCCNC(=O)NCCn1c(=O)oc2ccccc21 CSC[*:1] O=C(NCCn1c(=O)oc2ccccc21)NCC[*:1]
CSCCCNC(=O)NCCn1c(=O)oc2ccccc21 CSCCC[*:1] O=C(NCCn1c(=O)oc2ccccc21)N[*:1]
CN(C(=O)c1ccc[n+]([O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CN(C(=O)c1ccc[n+]([O-])c1)C1CCN(CC1)C(=O)O[*:1]
CN(C(=O)c1ccc[n+]([O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 [O-][n+]1cccc(c1)[*:1] CN(C(=O)[*:1])C1CCN(CC1)C(=O)OC(C)(C)C
Cc1sc2nc(SCC(=O)N[C@H](C)c3ccccc3)n(CC(C)C)c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2nc(SCC(=O)N[C@H](C)[*:1])n(CC(C)C)c(=O)c2c1C
Cc1sc2nc(SCC(=O)N[C@H](C)c3ccccc3)n(CC(C)C)c(=O)c2c1C CC(C)C[*:1] Cc1sc2nc(SCC(=O)N[C@H](C)c3ccccc3)n(c(=O)c2c1C)[*:1]
Cc1sc2nc(SCC(=O)N[C@H](C)c3ccccc3)n(CC(C)C)c(=O)c2c1C CC(C)[*:1] Cc1sc2nc(SCC(=O)N[C@H](C)c3ccccc3)n(C[*:1])c(=O)c2c1C
Cc1sc2nc(SCC(=O)N[C@H](C)c3ccccc3)n(CC(C)C)c(=O)c2c1C C[C@H](c1ccccc1)[*:1] Cc1sc2nc(SCC(=O)N[*:1])n(CC(C)C)c(=O)c2c1C
COC(=O)[C@]1(N)CC[C@H](SCC(C)C)C1 CC(C)C[*:1] COC(=O)[C@]1(N)CC[C@@H](C1)S[*:1]
COC(=O)[C@]1(N)CC[C@H](SCC(C)C)C1 CC(C)[*:1] COC(=O)[C@]1(N)CC[C@@H](C1)SC[*:1]
COC(=O)[C@]1(N)CC[C@H](SCC(C)C)C1 CC(C)CS[*:1] COC(=O)[C@]1(N)CC[C@H](C1)[*:1]
COC(=O)[C@]1(N)CC[C@H](SCC(C)C)C1 COC(=O)[*:1] CC(C)CS[C@H]1CC[C@@](N)(C1)[*:1]
COc1cccc(-c2csc(N3CC[NH+](CC(=O)Nc4ccccc4C)CC3)n2)c1 COc1cccc(c1)[*:1] Cc1ccccc1NC(=O)C[NH+]1CCN(CC1)c1nc(cs1)[*:1]
COc1cccc(-c2csc(N3CC[NH+](CC(=O)Nc4ccccc4C)CC3)n2)c1 Cc1ccccc1NC(=O)[*:1] COc1cccc(c1)-c1csc(n1)N1CC[NH+](CC1)C[*:1]
COc1cccc(-c2csc(N3CC[NH+](CC(=O)Nc4ccccc4C)CC3)n2)c1 Cc1ccccc1[*:1] COc1cccc(c1)-c1csc(n1)N1CC[NH+](CC1)CC(=O)N[*:1]
CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc(Cl)c2ncccc12 c1cncc(c1)[*:1] CN(Cc1nc(no1)[*:1])S(=O)(=O)c1ccc(Cl)c2ncccc12
CC(C)[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccccn1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)[C@H](NC(=O)CS[*:1])c1ccccn1
CC(C)[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccccn1 CC(C)[*:1] O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H](c1ccccn1)[*:1]
CC(C)[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)[*:1]
CC[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] CC[C@@H](C)[NH2+]Cc1cn(nc1-c1ccc2OCCOc2c1)[*:1]
COCCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 COCCC[*:1] O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)N[*:1]
COCCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 COCCCNC(=O)[*:1] O=C(Nc1ccccc1)Nc1ccc(cc1)[*:1]
COCCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] COCCCNC(=O)c1ccc(cc1)NC(=O)N[*:1]
COCCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 COCC[*:1] O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)NC[*:1]
COCCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 COC[*:1] O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)NCC[*:1]
Cc1nc2ccc([N-]S(=O)(=O)/C=C/c3ccccc3)cc2s1 c1ccc(cc1)[*:1] Cc1nc2ccc(cc2s1)[N-]S(=O)(=O)C=C[*:1]
O=c1[nH]nc(SCCOc2ccc(Br)cc2)n1C1CC1 C1CC1[*:1] O=c1[nH]nc(SCCOc2ccc(Br)cc2)n1[*:1]
CC(C)[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 CC(C)[*:1] Brc1ccc(-c2ccc(C[NH2+][*:1])o2)c(Br)c1
CN(CC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])C(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])C(=O)[*:1]
CN(CC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])C(=O)c1cccs1 O=C([O-])[*:1] CN(CC(=O)N1C[C@@H](O)C[C@@H]1[*:1])C(=O)c1cccs1
CC(/C=C/c1ccco1)=N\NC1=N[C@@H]2[NH+]=c3ccccc3=C2N=[NH+]1 c1coc(c1)[*:1] C/C(C=C[*:1])=N\NC1=N[C@@H]2[NH+]=c3ccccc3=C2N=[NH+]1
CC(/C=C/c1ccco1)=N\NC1=N[C@@H]2[NH+]=c3ccccc3=C2N=[NH+]1 C(=C[*:1])c1ccco1 CC(=NNC1=N[C@@H]2[NH+]=c3ccccc3=C2N=[NH+]1)[*:1]
COC(=O)[C@H](C)[C@@H](C)[NH2+]C1CCCCCC1 COC(=O)[*:1] C[C@@H]([NH2+]C1CCCCCC1)[C@@H](C)[*:1]
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1c(=O)oc2cc(ccc21)[N+](=O)[O-])N[*:1]
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1CCCC1 O=[N+]([O-])[*:1] O=C(Cn1c(=O)oc2cc(ccc21)[*:1])NC1CCCC1
CSCC[C@H](C(N)=O)N1C(=O)c2ccccc2C1=O CSCC[*:1] NC(=O)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
CSCC[C@H](C(N)=O)N1C(=O)c2ccccc2C1=O CSC[*:1] NC(=O)[C@@H](C[*:1])N1C(=O)c2ccccc2C1=O
CSCC[C@H](C(N)=O)N1C(=O)c2ccccc2C1=O NC(=O)[*:1] CSCC[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
Cc1ccc(N2C[C@H](NS(C)(=O)=O)CC2=O)cc1C CS(=O)(=O)N[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)[*:1]
CCCc1nnc(SCC(=O)[O-])n1C[C@H]1CCCO1 CCC[*:1] O=C([O-])CSc1nnc(n1C[C@H]1CCCO1)[*:1]
CCCc1nnc(SCC(=O)[O-])n1C[C@H]1CCCO1 O=C([O-])CS[*:1] CCCc1nnc(n1C[C@H]1CCCO1)[*:1]
CCCc1nnc(SCC(=O)[O-])n1C[C@H]1CCCO1 O=C([O-])C[*:1] CCCc1nnc(S[*:1])n1C[C@H]1CCCO1
CCCc1nnc(SCC(=O)[O-])n1C[C@H]1CCCO1 O=C([O-])[*:1] CCCc1nnc(SC[*:1])n1C[C@H]1CCCO1
CCCc1nnc(SCC(=O)[O-])n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CCCc1nnc(SCC(=O)[O-])n1[*:1]
CCCc1nnc(SCC(=O)[O-])n1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCCc1nnc(SCC(=O)[O-])n1C[*:1]
C[C@@H](Cc1cccs1)N(C)c1ccccc1[C@@H](C)[NH3+] c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)c1ccccc1[C@@H](C)[NH3+]
C[C@@H](Cc1cccs1)N(C)c1ccccc1[C@@H](C)[NH3+] c1csc(c1)C[*:1] C[C@@H](N(C)c1ccccc1[C@@H](C)[NH3+])[*:1]
CCCOc1ccc(OC(=O)c2cccc(S(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] CCCOc1ccc(cc1)OC(=O)c1cccc(c1)[*:1]
CCCOc1ccc(OC(=O)c2cccc(S(C)(=O)=O)c2)cc1 CCCO[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Oc1ccc(cc1)[*:1]
CCCOc1ccc(OC(=O)c2cccc(S(C)(=O)=O)c2)cc1 CCC[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Oc1ccc(cc1)O[*:1]
CC(C)(C)c1csc(C[C@H]2CCC[C@H](Br)C2)n1 CC(C)(C)[*:1] Br[C@H]1CCC[C@H](Cc2nc(cs2)[*:1])C1
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(Cc1ccccc1F)C1CC1)C2=O C1CC1[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(Cc1ccccc1F)[*:1])C2=O
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(Cc1ccccc1F)C1CC1)C2=O Fc1ccccc1[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(C[*:1])C1CC1)C2=O
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(Cc1ccccc1F)C1CC1)C2=O Fc1ccccc1C[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(C1CC1)[*:1])C2=O
CCOC(=O)CN(C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CCOC(=O)[*:1] C[C@@H]1[C@H](CCN1C(=O)N(C)C[*:1])C(=O)[O-]
CCOC(=O)CN(C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] CCOC(=O)CN(C)C(=O)N1CC[C@H]([C@H]1C)[*:1]
CCOC(=O)CN(C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CCOC(=O)C[*:1] C[C@@H]1[C@H](CCN1C(=O)N(C)[*:1])C(=O)[O-]
CCC(CC)NC(=O)[C@H](C)N1CC[NH2+]C[C@@H]1C#N CCC(CC)[*:1] C[C@@H](C(=O)N[*:1])N1CC[NH2+]C[C@@H]1C#N
CC(C)CC(=O)Nc1ccc(NCc2cc(F)ccc2F)cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)NCc1cc(F)ccc1F)[*:1]
CC(C)CC(=O)Nc1ccc(NCc2cc(F)ccc2F)cc1 CC(C)CC(=O)N[*:1] Fc1ccc(F)c(c1)CNc1ccc(cc1)[*:1]
CC(C)CC(=O)Nc1ccc(NCc2cc(F)ccc2F)cc1 CC(C)[*:1] O=C(C[*:1])Nc1ccc(cc1)NCc1cc(F)ccc1F
Cc1ccc(C[NH+](CCCC#N)Cc2ccco2)s1 N#CCCC[*:1] Cc1ccc(C[NH+](Cc2ccco2)[*:1])s1
Cc1ccc(C[NH+](CCCC#N)Cc2ccco2)s1 N#CCC[*:1] Cc1ccc(C[NH+](Cc2ccco2)C[*:1])s1
Cc1ccc(C[NH+](CCCC#N)Cc2ccco2)s1 c1coc(c1)C[*:1] Cc1ccc(C[NH+](CCCC#N)[*:1])s1
Cc1ccc(C[NH+](CCCC#N)Cc2ccco2)s1 N#CC[*:1] Cc1ccc(C[NH+](CC[*:1])Cc2ccco2)s1
Cc1ccc(C[NH+](CCCC#N)Cc2ccco2)s1 Cc1ccc(s1)[*:1] N#CCCC[NH+](Cc1ccco1)C[*:1]
Cc1ccc(C[NH+](CCCC#N)Cc2ccco2)s1 c1coc(c1)[*:1] Cc1ccc(C[NH+](CCCC#N)C[*:1])s1
C=CCNC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1 C=CC[*:1] O=C(N[*:1])c1ccc(cc1)Oc1nccnc1N1CCCCC1
C=CCNC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1 C1CCN(CC1)[*:1] C=CCNC(=O)c1ccc(cc1)Oc1nccnc1[*:1]
C=CCNC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1 C=CCNC(=O)[*:1] c1cnc(c(n1)Oc1ccc(cc1)[*:1])N1CCCCC1
CCn1ccc(CNC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)n1 CCn1ccc(C[*:1])n1 O=C(CCS(=O)(=O)c1ccc2ccccc2c1)N[*:1]
CCn1ccc(CNC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)n1 CCn1ccc(n1)[*:1] O=C(CCS(=O)(=O)c1ccc2ccccc2c1)NC[*:1]
C[NH+](C)[C@H](CNC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccs1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccc(cc1)[*:1])c1cccs1
C[NH+](C)[C@H](CNC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccc(cc1)-c1ccccc1)[*:1]
COc1ccc(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)cc1Cl COc1ccc(cc1Cl)[*:1] Cn1c(=O)c2c(-c3ccccc3)n(cc2n(C)c1=O)[*:1]
COc1ccc(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)-n1cc2c(c1[*:1])c(=O)n(C)c(=O)n2C
Cc1ccc(N2C[C@H](C(=O)N(C)C[C@@H](O)C3CC3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] CN(C[C@@H](O)C1CC1)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)N(C)C[C@@H](O)C3CC3)CCC2=O)cc1C C1CC1[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N(C)C[C@@H](O)[*:1]
C[C@](NC(=O)Nc1ccccc1Cl)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](NC(=O)Nc1ccccc1Cl)(C(=O)[O-])[*:1]
COc1nc2ccccc2cc1CNc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] COc1nc2ccccc2cc1CNc1cnn(c1)[*:1]
CC(=O)NCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C CC(=O)N[*:1] Cc1ccc(cc1S(=O)(=O)NCCC[*:1])[N+](=O)[O-]
CC(=O)NCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C CC(=O)NCC[*:1] Cc1ccc(cc1S(=O)(=O)NC[*:1])[N+](=O)[O-]
CC(=O)NCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CC(=O)NCCCNS(=O)(=O)c1cc(ccc1C)[*:1]
CC(=O)NCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C CC(=O)NC[*:1] Cc1ccc(cc1S(=O)(=O)NCC[*:1])[N+](=O)[O-]
CC(=O)NCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C CC(=O)NCCC[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])[N+](=O)[O-]
O=C1N=C([N-]c2ccc(F)c(Cl)c2)/C(=C/c2ccc3nccnc3c2)S1 Fc1ccc(cc1Cl)[*:1] O=C1N=C([N-][*:1])/C(=C/c2ccc3nccnc3c2)S1
COCCN(Cc1ccco1)C(=O)Nc1ccc(CC#N)cc1 c1coc(c1)[*:1] COCCN(C[*:1])C(=O)Nc1ccc(cc1)CC#N
COCCN(Cc1ccco1)C(=O)Nc1ccc(CC#N)cc1 COCC[*:1] N#CCc1ccc(cc1)NC(=O)N(Cc1ccco1)[*:1]
COCCN(Cc1ccco1)C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] COCCN(Cc1ccco1)C(=O)Nc1ccc(cc1)[*:1]
COCCN(Cc1ccco1)C(=O)Nc1ccc(CC#N)cc1 c1coc(c1)C[*:1] COCCN(C(=O)Nc1ccc(cc1)CC#N)[*:1]
COCCN(Cc1ccco1)C(=O)Nc1ccc(CC#N)cc1 COC[*:1] N#CCc1ccc(cc1)NC(=O)N(Cc1ccco1)C[*:1]
CC(=O)N1[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CS[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N1[C@H](CS[C@H]1[*:1])C(=O)N1CCN(CC1)c1ccccc1
CC(=O)N1[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CS[C@@H]1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CC(=O)N1[C@H](CS[C@@H]1c1ccc(Cl)cc1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc([C@H](NCCc2nnc(-c3ccccc3)o2)C2CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](NCCc1nnc(o1)[*:1])C1CC1
Cc1ccc([C@H](NCCc2nnc(-c3ccccc3)o2)C2CC2)cc1 Cc1ccc(cc1)[*:1] c1ccc(cc1)-c1nnc(CCN[C@H](C2CC2)[*:1])o1
Cc1ccc([C@H](NCCc2nnc(-c3ccccc3)o2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](NCCc1nnc(o1)-c1ccccc1)[*:1]
COc1cccc(-c2nccnc2[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)c1 COc1cccc(c1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@@H](C1)c1nccnc1[*:1]
COc1cccc(-c2nccnc2[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)c1 Cn1cnc(c1)[*:1] COc1cccc(c1)-c1nccnc1[C@H]1CCCN(C1)S(=O)(=O)[*:1]
C[C@@H]([C@@H](C)[NH2+]C[C@H](O)c1cccc(Br)c1)n1cccn1 c1cnn(c1)[*:1] C[C@@H]([C@@H](C)[NH2+]C[C@H](O)c1cccc(Br)c1)[*:1]
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1CO c1ccc(cc1)C[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N[C@H]1CCC[C@@H]1CO
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1CO c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C[*:1])C(=O)N[C@H]1CCC[C@@H]1CO
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1CO CC(C)[*:1] O=C(Cc1ccccc1)N[C@H](C(=O)N[C@H]1CCC[C@@H]1CO)[*:1]
C[C@H]1CN(Cc2nc(CS(C)(=O)=O)no2)C[C@H](c2ccccc2)O1 CS(=O)(=O)[*:1] C[C@H]1CN(Cc2nc(C[*:1])no2)C[C@@H](O1)c1ccccc1
C[C@H]1CN(Cc2nc(CS(C)(=O)=O)no2)C[C@H](c2ccccc2)O1 CS(=O)(=O)C[*:1] C[C@H]1CN(Cc2nc(no2)[*:1])C[C@@H](O1)c1ccccc1
C[C@H]1CN(Cc2nc(CS(C)(=O)=O)no2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(Cc2nc(CS(C)(=O)=O)no2)C[C@H](O1)[*:1]
Cc1nc(N2CCCCC2)ncc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 C1CCN(CC1)[*:1] Cc1nc(ncc1C(=O)Nc1ccc(cc1)N1CCCS1(=O)=O)[*:1]
Cc1nc(N2CCCCC2)ncc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] Cc1nc(ncc1C(=O)Nc1ccc(cc1)[*:1])N1CCCCC1
C1COC[C@H](C[NH2+][C@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 C1COC[C@H](C1)[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCC[C@@H]1[NH2+]C[*:1]
[NH3+]CCCOc1ccccn1 [NH3+]CC[*:1] c1ccc(nc1)OC[*:1]
COC(=O)C[C@@H]1C(=O)N(CCC2=c3ccccc3=[NH+]C2)CC[C@H]1OC COC(=O)C[*:1] CO[C@@H]1CCN(CCC2C[NH+]=c3ccccc3=2)C(=O)[C@H]1[*:1]
COC(=O)C[C@@H]1C(=O)N(CCC2=c3ccccc3=[NH+]C2)CC[C@H]1OC COC(=O)[*:1] CO[C@@H]1CCN(CCC2C[NH+]=c3ccccc3=2)C(=O)[C@H]1C[*:1]
CC1=N[C@@](NC(=O)C(C)(C)C)(C(F)(F)F)C(=O)N1C1CCCCC1 CC(C)(C)[*:1] CC1=N[C@](NC(=O)[*:1])(C(=O)N1C1CCCCC1)C(F)(F)F
CC1=N[C@@](NC(=O)C(C)(C)C)(C(F)(F)F)C(=O)N1C1CCCCC1 FC(F)(F)[*:1] CC1=N[C@@](NC(=O)C(C)(C)C)(C(=O)N1C1CCCCC1)[*:1]
CC1=N[C@@](NC(=O)C(C)(C)C)(C(F)(F)F)C(=O)N1C1CCCCC1 CC(C)(C)C(=O)N[*:1] CC1=N[C@](C(=O)N1C1CCCCC1)(C(F)(F)F)[*:1]
CC1=N[C@@](NC(=O)C(C)(C)C)(C(F)(F)F)C(=O)N1C1CCCCC1 C1CCC(CC1)[*:1] CC1=N[C@](NC(=O)C(C)(C)C)(C(=O)N1[*:1])C(F)(F)F
CNC(=O)NC(=O)[C@@H](C)Oc1ccc(OC)cc1C[NH2+]C CNC(=O)NC(=O)[*:1] C[NH2+]Cc1cc(ccc1O[C@H](C)[*:1])OC
Cc1nc(NCCNC(=O)Nc2ccccc2F)cc(-n2ccnc2C)n1 Cc1nccn1[*:1] Cc1nc(cc(n1)[*:1])NCCNC(=O)Nc1ccccc1F
Cc1nc(NCCNC(=O)Nc2ccccc2F)cc(-n2ccnc2C)n1 Fc1ccccc1[*:1] Cc1nc(cc(n1)-n1ccnc1C)NCCNC(=O)N[*:1]
CO[C@H](C)CC(=O)NCc1cccc(C#N)c1 CO[C@H](C)[*:1] N#Cc1cccc(c1)CNC(=O)C[*:1]
CO[C@H](C)CC(=O)NCc1cccc(C#N)c1 CO[C@H](C)C[*:1] N#Cc1cccc(c1)CNC(=O)[*:1]
CCOc1ccc(F)c(C(=O)N[C@H](COC)c2ccco2)c1F COC[*:1] CCOc1ccc(F)c(C(=O)N[C@H](c2ccco2)[*:1])c1F
CCOc1ccc(F)c(C(=O)N[C@H](COC)c2ccco2)c1F c1coc(c1)[*:1] CCOc1ccc(F)c(C(=O)N[C@H](COC)[*:1])c1F
CCOc1ccc(F)c(C(=O)N[C@H](COC)c2ccco2)c1F CCO[*:1] COC[C@@H](NC(=O)c1c(F)ccc(c1F)[*:1])c1ccco1
CNC(=O)c1ccc(CNC(=O)N2CCOC[C@@H]2C2CC2)cc1 C1CC1[*:1] CNC(=O)c1ccc(cc1)CNC(=O)N1CCOC[C@H]1[*:1]
CNC(=O)c1ccc(CNC(=O)N2CCOC[C@@H]2C2CC2)cc1 CNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCOC[C@@H]1C1CC1
COCc1ccccc1CNCc1c[nH+]cn1C1CC1 C1CC1[*:1] COCc1ccccc1CNCc1c[nH+]cn1[*:1]
COCc1ccccc1CNCc1c[nH+]cn1C1CC1 COC[*:1] c1ccc(c(c1)CNCc1c[nH+]cn1C1CC1)[*:1]
CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc2cc[nH]c12)C1CC1 CC[C@@H](C)[*:1] C[C@@H](N(C(=O)c1cccc2cc[nH]c12)C1CC1)[*:1]
CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc2cc[nH]c12)C1CC1 C1CC1[*:1] CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc2cc[nH]c12)[*:1]
CSCC[C@@H](C)NC(=O)N(C1CC1)[C@@H](C)c1ccccc1F CSCC[*:1] C[C@@H](c1ccccc1F)N(C(=O)N[C@H](C)[*:1])C1CC1
CSCC[C@@H](C)NC(=O)N(C1CC1)[C@@H](C)c1ccccc1F Fc1ccccc1[*:1] CSCC[C@@H](C)NC(=O)N(C1CC1)[C@@H](C)[*:1]
CSCC[C@@H](C)NC(=O)N(C1CC1)[C@@H](C)c1ccccc1F CSC[*:1] C[C@@H](c1ccccc1F)N(C(=O)N[C@H](C)C[*:1])C1CC1
CSCC[C@@H](C)NC(=O)N(C1CC1)[C@@H](C)c1ccccc1F CSCC[C@@H](C)[*:1] C[C@@H](c1ccccc1F)N(C(=O)N[*:1])C1CC1
CSCC[C@@H](C)NC(=O)N(C1CC1)[C@@H](C)c1ccccc1F C1CC1[*:1] CSCC[C@@H](C)NC(=O)N([C@@H](C)c1ccccc1F)[*:1]
O=C(c1cccc(-n2cnnn2)c1)N1CCCCC[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(c1cccc(c1)-n1cnnn1)N1CCCCC[C@H]1[*:1]
O=C(c1cccc(-n2cnnn2)c1)N1CCCCC[C@@H]1c1ccco1 c1nnnn1[*:1] O=C(c1cccc(c1)[*:1])N1CCCCC[C@@H]1c1ccco1
C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(Nc3ncccn3)cn2)CC1 c1cnc(nc1)N[*:1] C[C@@H](CN1CCOCC1)C(=O)N1CCC(CC1)c1ccc(cn1)[*:1]
C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(Nc3ncccn3)cn2)CC1 C1CN(CCO1)C[*:1] C[C@@H](C(=O)N1CCC(CC1)c1ccc(cn1)Nc1ncccn1)[*:1]
C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(Nc3ncccn3)cn2)CC1 C1CN(CCO1)[*:1] C[C@@H](C[*:1])C(=O)N1CCC(CC1)c1ccc(cn1)Nc1ncccn1
C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(Nc3ncccn3)cn2)CC1 c1cnc(nc1)[*:1] C[C@@H](CN1CCOCC1)C(=O)N1CCC(CC1)c1ccc(cn1)N[*:1]
Cc1nn(C)c2nc(N3CCNC(=O)[C@H]3c3cccc(F)c3)sc12 Fc1cccc(c1)[*:1] Cc1nn(C)c2nc(sc12)N1CCNC(=O)[C@@H]1[*:1]
CC[C@H](C)N(CC)C(=O)c1cccc(C[NH3+])c1 CC[C@H](C)[*:1] CCN(C(=O)c1cccc(c1)C[NH3+])[*:1]
Cc1ccc(N2CCn3c2nn(CC(=O)Nc2cccc(C)c2)c(=O)c3=O)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)Cn1nc2N(CCn2c(=O)c1=O)[*:1]
Cc1ccc(N2CCn3c2nn(CC(=O)Nc2cccc(C)c2)c(=O)c3=O)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)N1CCn2c1nn(CC(=O)N[*:1])c(=O)c2=O
Nc1nnc(SCC(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)s1 C1CN(CCO1)C[*:1] Nc1nnc(SCC(=O)N2C[C@H](CO)[C@H](C2)[*:1])s1
Nc1nnc(SCC(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)s1 Nc1nnc(SC[*:1])s1 O=C(N1C[C@H](CO)[C@H](CN2CCOCC2)C1)[*:1]
Nc1nnc(SCC(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)s1 Nc1nnc(s1)[*:1] O=C(CS[*:1])N1C[C@H](CO)[C@H](CN2CCOCC2)C1
Nc1nnc(SCC(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)s1 Nc1nnc(S[*:1])s1 O=C(C[*:1])N1C[C@H](CO)[C@H](CN2CCOCC2)C1
Nc1nnc(SCC(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)s1 C1CN(CCO1)[*:1] Nc1nnc(SCC(=O)N2C[C@H](CO)[C@@H](C2)C[*:1])s1
Cc1ccc(-n2nc3c(cnc4ccc(C(=O)NC[C@H]5CCCO5)cc43)c2O)cc1C O=C(NC[C@H]1CCCO1)[*:1] Cc1ccc(cc1C)-n1nc2c(cnc3ccc(cc32)[*:1])c1O
Cc1ccc(-n2nc3c(cnc4ccc(C(=O)NC[C@H]5CCCO5)cc43)c2O)cc1C Cc1ccc(cc1C)[*:1] O=C(NC[C@H]1CCCO1)c1ccc2ncc3c(O)n(nc3c2c1)[*:1]
COc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)c(OC)c1 Fc1cccc(c1)[*:1] COc1ccc(NC(=O)C2(CCCC2)[*:1])c(c1)OC
Cc1cccc(NC(=O)N2CCC[C@@H](COCc3ccccc3)C2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])N1CCC[C@@H](COCc2ccccc2)C1
Cc1cccc(NC(=O)N2CCC[C@@H](COCc3ccccc3)C2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](CO[*:1])C1
Cc1cccc(NC(=O)N2CCC[C@@H](COCc3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](COC[*:1])C1
Cc1cccc(NC(=O)N2CCC[C@@H](COCc3ccccc3)C2)c1 c1ccc(cc1)CO[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@H](C1)C[*:1]
C[NH2+][C@@]1(C(=O)OC)CCC[C@@H](Sc2nccn2C)C1 Cn1ccnc1[*:1] C[NH2+][C@]1(CCC[C@H](C1)S[*:1])C(=O)OC
C[NH2+][C@@]1(C(=O)OC)CCC[C@@H](Sc2nccn2C)C1 COC(=O)[*:1] C[NH2+][C@]1(CCC[C@H](C1)Sc1nccn1C)[*:1]
CC/[NH+]=C(/NCc1csc(C(C)C)n1)NC(C)C CC(C)[*:1] CC/[NH+]=C(/NCc1csc(n1)C(C)C)N[*:1]
CC/[NH+]=C(/NCc1csc(C(C)C)n1)NC(C)C CC(C)[*:1] CC/[NH+]=C(/NCc1csc(n1)[*:1])NC(C)C
Cc1c(F)cccc1NC(=O)C(=O)NCc1csc(C(C)(C)C)n1 Cc1c(F)cccc1[*:1] CC(C)(C)c1nc(cs1)CNC(=O)C(=O)N[*:1]
Cc1c(F)cccc1NC(=O)C(=O)NCc1csc(C(C)(C)C)n1 CC(C)(C)[*:1] Cc1c(F)cccc1NC(=O)C(=O)NCc1csc(n1)[*:1]
COc1cc(NC(=O)C(=O)N2CCOCC2)ccc1N1CCCCS1(=O)=O O=S1(=O)CCCCN1[*:1] COc1cc(ccc1[*:1])NC(=O)C(=O)N1CCOCC1
CC(=O)c1ccc[n+](Cc2ccccc2)c1 CC(=O)[*:1] c1ccc(cc1)C[n+]1cccc(c1)[*:1]
C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H](O)CN1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 C[C@H](O)[*:1] O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCN(CC1)C[*:1]
C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 C[C@H](O)C[*:1] O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCN(CC1)[*:1]
CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCOCC2)O3)c1 CC(=O)[*:1] O=C([C@@H]1COc2cc(ccc2O1)S(=O)(=O)Nc1cccc(c1)[*:1])N1CCOCC1
CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCOCC2)O3)c1 O=C(N1CCOCC1)[*:1] CC(=O)c1cccc(c1)NS(=O)(=O)c1ccc2O[C@H](COc2c1)[*:1]
CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCOCC2)O3)c1 CC(=O)c1cccc(c1)[*:1] O=C([C@@H]1COc2cc(ccc2O1)S(=O)(=O)N[*:1])N1CCOCC1
CC(C)c1ccc(OCC(=O)N2CCC(C(=O)Nc3nccs3)CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(Nc1nccs1)C1CCN(CC1)C(=O)CO[*:1]
CC(C)c1ccc(OCC(=O)N2CCC(C(=O)Nc3nccs3)CC2)cc1 c1csc(n1)[*:1] CC(C)c1ccc(cc1)OCC(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)c1ccc(OCC(=O)N2CCC(C(=O)Nc3nccs3)CC2)cc1 CC(C)[*:1] O=C(Nc1nccs1)C1CCN(CC1)C(=O)COc1ccc(cc1)[*:1]
CC(C)c1ccc(OCC(=O)N2CCC(C(=O)Nc3nccs3)CC2)cc1 O=C(Nc1nccs1)[*:1] CC(C)c1ccc(cc1)OCC(=O)N1CCC(CC1)[*:1]
S=c1[nH]c2cccnc2n1CCc1cscn1 c1nc(cs1)[*:1] S=c1[nH]c2cccnc2n1CC[*:1]
CC(C)[C@@H](C(=O)NCc1ccccc1OC(F)F)N1C(=O)c2ccccc2C1=O FC(F)O[*:1] CC(C)[C@@H](C(=O)NCc1ccccc1[*:1])N1C(=O)c2ccccc2C1=O
CC(C)[C@@H](C(=O)NCc1ccccc1OC(F)F)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(NCc1ccccc1OC(F)F)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC(C)[C@@H](C(=O)NCc1ccccc1OC(F)F)N1C(=O)c2ccccc2C1=O FC(F)[*:1] CC(C)[C@@H](C(=O)NCc1ccccc1O[*:1])N1C(=O)c2ccccc2C1=O
Cn1c(CN2CCN(c3ncccn3)CC2)cc(=O)n(C)c1=O c1cnc(nc1)[*:1] Cn1c(cc(=O)n(C)c1=O)CN1CCN(CC1)[*:1]
Cc1c(-c2ccccn2)nc(N)c(C#N)c1-c1ccc(-c2cc[nH]n2)o1 c1ccc(nc1)[*:1] Cc1c(nc(N)c(C#N)c1-c1ccc(o1)-c1cc[nH]n1)[*:1]
Cc1c(-c2ccccn2)nc(N)c(C#N)c1-c1ccc(-c2cc[nH]n2)o1 c1cc(n[nH]1)[*:1] Cc1c(nc(N)c(C#N)c1-c1ccc(o1)[*:1])-c1ccccn1
Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)[C@H](C)[*:1])c1ccc(cc1)-c1cccnc1
Cn1cnnc1[C@H]1CCCN(C(=O)NCCc2cccs2)C1 c1csc(c1)[*:1] Cn1cnnc1[C@H]1CCCN(C1)C(=O)NCC[*:1]
Cn1cnnc1[C@H]1CCCN(C(=O)NCCc2cccs2)C1 Cn1cnnc1[*:1] O=C(NCCc1cccs1)N1CCC[C@@H](C1)[*:1]
Cn1cnnc1[C@H]1CCCN(C(=O)NCCc2cccs2)C1 c1csc(c1)C[*:1] Cn1cnnc1[C@H]1CCCN(C1)C(=O)NC[*:1]
Cn1cnnc1[C@H]1CCCN(C(=O)NCCc2cccs2)C1 c1csc(c1)CC[*:1] Cn1cnnc1[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(NCCNC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 O=C(NCC[*:1])C1CCN(CC1)C(=O)c1ccc2ccccc2c1
O=C(NCCNC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1)c1ccc(F)cc1 O=C(NC[*:1])c1ccc(F)cc1 O=C(NC[*:1])C1CCN(CC1)C(=O)c1ccc2ccccc2c1
O=C(NCCNC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])C1CCN(CC1)C(=O)c1ccc2ccccc2c1
O=C(NCCNC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1)c1ccc(F)cc1 c1ccc2cc(ccc2c1)[*:1] O=C(NCCNC(=O)C1CCN(CC1)C(=O)[*:1])c1ccc(F)cc1
COc1ccc(F)cc1C(=O)[C@H](C#N)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] COc1ccc(F)cc1C(=O)[C@H](C#N)[*:1]
OC[C@@H](Cc1ccccc1)Cc1ccc(O)cc1 c1ccc(cc1)[*:1] OC[C@H](Cc1ccc(O)cc1)C[*:1]
O=C(c1ccc([N+](=O)[O-])s1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 O=[N+]([O-])[*:1] O=C(c1ccc(s1)[*:1])N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1
O=C(c1ccc([N+](=O)[O-])s1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 c1cncc(c1)[*:1] O=C(c1ccc(s1)[N+](=O)[O-])N(C[*:1])c1nc2ccc(Cl)cc2s1
O=C(c1ccc([N+](=O)[O-])s1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 O=[N+]([O-])c1ccc(s1)[*:1] O=C(N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1)[*:1]
O=C(c1ccc([N+](=O)[O-])s1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 c1cncc(c1)C[*:1] O=C(c1ccc(s1)[N+](=O)[O-])N(c1nc2ccc(Cl)cc2s1)[*:1]
Cc1csc(CCNC(=O)NC[C@@H](O)c2ccccc2)n1 Cc1csc(n1)[*:1] O=C(NCC[*:1])NC[C@@H](O)c1ccccc1
Cc1csc(CCNC(=O)NC[C@@H](O)c2ccccc2)n1 Cc1csc(C[*:1])n1 O=C(NC[C@@H](O)c1ccccc1)NC[*:1]
Cc1csc(CCNC(=O)NC[C@@H](O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(CCNC(=O)NC[C@@H](O)[*:1])n1
COC(=O)c1ccc([C@@H]2NC(=O)c3oc4ccc(F)cc4c(=O)c32)cc1 COC(=O)[*:1] O=C1N[C@@H](c2ccc(cc2)[*:1])c2c1oc1ccc(F)cc1c2=O
Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](C)NC(N)=O NC(=O)N[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)[*:1])SC1CCCCC1
Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](C)NC(N)=O C1CCC(CC1)S[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)NC(N)=O)[*:1]
Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](C)NC(N)=O C[C@@H](NC(N)=O)[*:1] Cc1cc(ccc1NC(=O)[*:1])SC1CCCCC1
Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](C)NC(N)=O C1CCC(CC1)[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)NC(N)=O)S[*:1]
O=C1NC2(CCCCC2)N(C(=O)c2cccs2)C2=C1CCCC2 c1csc(c1)[*:1] O=C1NC2(CCCCC2)N(C(=O)[*:1])C2CCCCC=21
[NH3+][C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] [NH3+][C@@H]1CCN(C[*:1])C1=O
CC[NH2+][C@@]1(C(N)=O)CCC[C@H](Oc2cccc(CC)c2)C1 NC(=O)[*:1] CC[NH2+][C@]1(CCC[C@@H](C1)Oc1cccc(c1)CC)[*:1]
CCCc1nc2cc(C(=O)[O-])ccc2n1[C@H](CO)C(C)C O=C([O-])[*:1] CCCc1nc2cc(ccc2n1[C@H](CO)C(C)C)[*:1]
CCCc1nc2cc(C(=O)[O-])ccc2n1[C@H](CO)C(C)C CC(C)[C@@H](CO)[*:1] CCCc1nc2cc(ccc2n1[*:1])C(=O)[O-]
CCCc1nc2cc(C(=O)[O-])ccc2n1[C@H](CO)C(C)C CC(C)[*:1] CCCc1nc2cc(ccc2n1[C@H](CO)[*:1])C(=O)[O-]
CCCc1nc2cc(C(=O)[O-])ccc2n1[C@H](CO)C(C)C CCC[*:1] CC(C)[C@@H](CO)n1c(nc2cc(ccc21)C(=O)[O-])[*:1]
CN(C)C(=O)c1ccc2oc([O-])nc2c1 CN(C)C(=O)[*:1] [O-]c1nc2cc(ccc2o1)[*:1]
COc1ccccc1NC1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 COc1ccccc1N[*:1] Cc1ccc(cc1)NC(=O)C(=O)N1CCC(CC1)[*:1]
COc1ccccc1NC1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 COc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)C(=O)N1CCC(CC1)N[*:1]
COc1ccccc1NC1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] COc1ccccc1NC1CCN(CC1)C(=O)C(=O)N[*:1]
C=CCn1c(SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccccc21 c1ccc2sc(nc2c1)[*:1] C=CCn1c(nc2ccccc21)SCC(=O)N1CCC[C@@H](C1)[*:1]
C=CCn1c(SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccccc21 C=CC[*:1] O=C(CSc1nc2ccccc2n1[*:1])N1CCC[C@H](C1)c1nc2ccccc2s1
Cc1noc(C)c1[C@@H](C)C(=O)N(C)C1CCN(c2ccc(F)cc2)CC1 Cc1noc(C)c1[*:1] C[C@@H](C(=O)N(C)C1CCN(CC1)c1ccc(F)cc1)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)N(C)C1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1noc(C)c1[C@@H](C)C(=O)N(C)C1CCN(CC1)[*:1]
CC(C)Oc1ccccc1COc1cccc(S(C)(=O)=O)c1 CC(C)[*:1] CS(=O)(=O)c1cccc(c1)OCc1ccccc1O[*:1]
CC(C)Oc1ccccc1COc1cccc(S(C)(=O)=O)c1 CC(C)O[*:1] CS(=O)(=O)c1cccc(c1)OCc1ccccc1[*:1]
CC(C)Oc1ccccc1COc1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CC(C)Oc1ccccc1COc1cccc(c1)[*:1]
CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccc4ccccc4c32)C(=O)C1 CC1(C)CC(=O)C(C(=O)C1)[*:1] CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1[C@@H]2[*:1]
Cc1ccc(C)c2sc(OC3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc12 c1ccc2c(c[nH]c2c1)[*:1] Cc1ccc(C)c2sc(nc12)OC1CCN(CC1)C(=O)C[*:1]
Cc1ccc(C)c2sc(OC3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc12 c1ccc2c(c[nH]c2c1)C[*:1] Cc1ccc(C)c2sc(nc12)OC1CCN(CC1)C(=O)[*:1]
O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NNC(=O)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NNC(=O)[*:1]
O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NNC(=O)c1ccc[nH]1 Clc1ccc(cc1)O[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)NNC(=O)c1ccc[nH]1
O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NNC(=O)c1ccc[nH]1 Clc1ccc(cc1)[*:1] O=C(Cn1c(CO[*:1])nc2ccccc21)NNC(=O)c1ccc[nH]1
O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NNC(=O)c1ccc[nH]1 Clc1ccc(cc1)OC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])NNC(=O)c1ccc[nH]1
COCCOCC[C@@H]1CCC[C@]1([NH3+])C(=O)[O-] COCC[*:1] [NH3+][C@@]1(CCC[C@H]1CCO[*:1])C(=O)[O-]
COCCOCC[C@@H]1CCC[C@]1([NH3+])C(=O)[O-] COC[*:1] [NH3+][C@@]1(CCC[C@H]1CCOC[*:1])C(=O)[O-]
COCCOCC[C@@H]1CCC[C@]1([NH3+])C(=O)[O-] O=C([O-])[*:1] COCCOCC[C@@H]1CCC[C@@]1([NH3+])[*:1]
COCCOCC[C@@H]1CCC[C@]1([NH3+])C(=O)[O-] COCCO[*:1] [NH3+][C@@]1(CCC[C@H]1CC[*:1])C(=O)[O-]
Cc1ccc(OCCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CCO[*:1]
Cc1ccc(OCCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 Cc1ccc(cc1)O[*:1] C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CC[*:1]
O=C1CCCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CCCC1 C1CCC(C1)[*:1] O=C1CCCC[C@@H]1[C@@H]1CCCCN1C(=O)C[*:1]
O=C1CCCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CCCC1 O=C1CCCC[C@H]1[*:1] O=C(CC1CCCC1)N1CCCC[C@H]1[*:1]
O=C1CCCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CCCC1 C1CCC(C1)C[*:1] O=C1CCCC[C@@H]1[C@@H]1CCCCN1C(=O)[*:1]
CCc1ccc(CNC(=O)c2cn[nH]c2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)CNC(=O)c1cn[nH]c1[*:1]
C[C@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)c1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)[*:1]
C[C@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)c1cccs1 C[C@H](c1cccs1)[*:1] O=C(NC[*:1])N[C@@H]1CCc2c(O)cccc21
CCn1cnnc1CNC(=O)/C=C\c1ccc(C)o1 Cc1ccc(o1)[*:1] CCn1cnnc1CNC(=O)C=C[*:1]
O=C(CCCc1c[nH]c2ccccc12)N(C[C@@H]1CCCO1)c1ccncc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CCC[*:1])N(C[C@@H]1CCCO1)c1ccncc1
O=C(CCCc1c[nH]c2ccccc12)N(C[C@@H]1CCCO1)c1ccncc1 c1cc(ccn1)[*:1] O=C(CCCc1c[nH]c2ccccc12)N(C[C@@H]1CCCO1)[*:1]
CC1(C)CN(C(=O)c2sccc2NC(=O)c2ccncc2)C1(C)C c1cc(ccn1)[*:1] CC1(C)CN(C(=O)c2sccc2NC(=O)[*:1])C1(C)C
C[C@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2cccc(F)c2)C1=O Fc1cccc(c1)[*:1] C[C@H]1S[C@]2(C(=O)Nc3ccccc32)N(C1=O)[*:1]
CCn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1ccc2ccccc2c1
O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)c1cnccn1 c1ccc(C[*:1])nc1 O=C(Nc1ccc(cc1)[C@@H](O)[C@H]1COCC(=O)N1[*:1])c1cnccn1
O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)c1cnccn1 c1cnc(cn1)[*:1] O=C1COC[C@H]([C@H](O)c2ccc(cc2)NC(=O)[*:1])N1Cc1ccccn1
O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)c1cnccn1 O=C(N[*:1])c1cnccn1 O=C1COC[C@H]([C@H](O)c2ccc(cc2)[*:1])N1Cc1ccccn1
O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)c1cnccn1 c1ccc(nc1)[*:1] O=C(Nc1ccc(cc1)[C@@H](O)[C@H]1COCC(=O)N1C[*:1])c1cnccn1
COCCSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 COCC[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)Nc1nnc(S[*:1])s1
COCCSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 COCCS[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
COCCSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 Cc1cccc(c1C)[*:1] COCCSc1nnc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
COCCSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 COC[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)Nc1nnc(SC[*:1])s1
CCCOc1cccc(C(=O)NCc2ccc(N(C)C)[nH+]c2)c1 CCCO[*:1] CN(C)c1ccc(c[nH+]1)CNC(=O)c1cccc(c1)[*:1]
CCCOc1cccc(C(=O)NCc2ccc(N(C)C)[nH+]c2)c1 CN(C)[*:1] CCCOc1cccc(c1)C(=O)NCc1ccc([nH+]c1)[*:1]
CCCOc1cccc(C(=O)NCc2ccc(N(C)C)[nH+]c2)c1 CCC[*:1] CN(C)c1ccc(c[nH+]1)CNC(=O)c1cccc(c1)O[*:1]
O=S(=O)(NCc1ccc(Cl)cc1)c1cnn(-c2ccccn2)c1 Clc1ccc(cc1)[*:1] O=S(=O)(NC[*:1])c1cnn(c1)-c1ccccn1
O=S(=O)(NCc1ccc(Cl)cc1)c1cnn(-c2ccccn2)c1 c1ccc(nc1)[*:1] O=S(=O)(NCc1ccc(Cl)cc1)c1cnn(c1)[*:1]
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(o1)[*:1]
C[C@H]1Cc2cc(-c3cc(CC(=O)N4CCCC[C@@H]4c4cccnc4)no3)ccc2O1 C[C@H]1Cc2cc(ccc2O1)[*:1] O=C(Cc1cc(on1)[*:1])N1CCCC[C@@H]1c1cccnc1
C[C@H]1Cc2cc(-c3cc(CC(=O)N4CCCC[C@@H]4c4cccnc4)no3)ccc2O1 c1cncc(c1)[*:1] C[C@H]1Cc2cc(ccc2O1)-c1cc(CC(=O)N2CCCC[C@H]2[*:1])no1
Cc1cc(NC(=O)CSc2nnnn2-c2c(C)cccc2C)n([C@@H]2CCS(=O)(=O)C2)n1 Cc1cccc(C)c1[*:1] Cc1cc(NC(=O)CSc2nnnn2[*:1])n(n1)[C@@H]1CCS(=O)(=O)C1
Cc1cc(N[C@@H]2C=C[C@@H](C(=O)[O-])C2)nc(C)n1 O=C([O-])[*:1] Cc1cc(nc(C)n1)N[C@@H]1C=C[C@@H](C1)[*:1]
O=C(CNC(=O)c1cccs1)N[C@@H]1C=C[C@H](C(=O)[O-])C1 c1csc(c1)[*:1] O=C(CNC(=O)[*:1])N[C@@H]1C=C[C@@H](C1)C(=O)[O-]
O=C(CNC(=O)c1cccs1)N[C@@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(CNC(=O)c1cccs1)N[C@@H]1C=C[C@H](C1)[*:1]
CCn1nccc1-c1cc(C(=O)OC)n2ncc(C#N)c2n1 CCn1nccc1[*:1] COC(=O)c1cc(nc2c(C#N)cnn12)[*:1]
CCn1nccc1-c1cc(C(=O)OC)n2ncc(C#N)c2n1 COC(=O)[*:1] CCn1nccc1-c1cc(n2ncc(C#N)c2n1)[*:1]
NNC(=O)CC[NH2+]C1CCCCC1 NNC(=O)[*:1] C1CCC(CC1)[NH2+]CC[*:1]
C[NH+]1CCN(c2ncnc(N3CCN(c4cccc[nH+]4)CC3)c2N)CC1 c1ccc([nH+]c1)[*:1] C[NH+]1CCN(CC1)c1ncnc(c1N)N1CCN(CC1)[*:1]
Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 Cc1cc(Cl)ncc1[*:1] O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)C(=O)N[*:1]
Cc1ccc(CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[*:1]
Cc1ccc(CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)CNC(=O)c1sc(cc1C)[*:1]
Cc1ccc(CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[*:1]
Cc1ccc(CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CNC(=O)c1sc(cc1C)NC(=O)[*:1]
CCc1nn(C)cc1NC(=O)C1(c2ccc(F)cc2F)CCOCC1 Fc1ccc(c(F)c1)[*:1] CCc1nn(C)cc1NC(=O)C1(CCOCC1)[*:1]
CCc1nn(C)cc1NC(=O)C1(c2ccc(F)cc2F)CCOCC1 CCc1nn(C)cc1[*:1] O=C(N[*:1])C1(CCOCC1)c1ccc(F)cc1F
CC(C)Oc1ccccc1C[NH2+]Cc1ccccc1Cl CC(C)[*:1] Clc1ccccc1C[NH2+]Cc1ccccc1O[*:1]
CC(C)Oc1ccccc1C[NH2+]Cc1ccccc1Cl CC(C)O[*:1] Clc1ccccc1C[NH2+]Cc1ccccc1[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(cn1)O[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(cn1)[*:1]
COc1ccc(/C=N/c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)cc1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(/C=N/c2c(nc3ccccn23)[*:1])cc1
COc1ccc(/C=N/c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)cc1 O=[N+]([O-])[*:1] COc1ccc(/C=N/c2c(nc3ccccn23)-c2cccc(c2)[*:1])cc1
COc1ccc(/C=N/c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)cc1 COc1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)-c1nc2ccccn2c1N=C[*:1]
COc1ccc(CN2C[C@H](C(=O)Nc3ccc(CSC)cc3)CC2=O)cc1 COc1ccc(cc1)C[*:1] CSCc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(CN2C[C@H](C(=O)Nc3ccc(CSC)cc3)CC2=O)cc1 CSCc1ccc(cc1)[*:1] COc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)N[*:1]
COc1ccc(CN2C[C@H](C(=O)Nc3ccc(CSC)cc3)CC2=O)cc1 CSC[*:1] COc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(CN2C[C@H](C(=O)Nc3ccc(CSC)cc3)CC2=O)cc1 COc1ccc(cc1)[*:1] CSCc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCC(CC)[C@@H]1CC(=O)NC(=O)[C@@H]1c1ccccc1F CCC(CC)[*:1] O=C1C[C@H]([C@H](C(=O)N1)c1ccccc1F)[*:1]
CC(C)c1ncc(SC[C@H](O)CO)c(C(=O)[O-])n1 O=C([O-])[*:1] CC(C)c1ncc(SC[C@H](O)CO)c(n1)[*:1]
CC(C)c1ncc(SC[C@H](O)CO)c(C(=O)[O-])n1 OC[C@@H](O)C[*:1] CC(C)c1ncc(S[*:1])c(n1)C(=O)[O-]
CC(C)c1ncc(SC[C@H](O)CO)c(C(=O)[O-])n1 CC(C)[*:1] O=C([O-])c1nc(ncc1SC[C@H](O)CO)[*:1]
CC(C)c1ncc(SC[C@H](O)CO)c(C(=O)[O-])n1 OC[C@@H](O)[*:1] CC(C)c1ncc(SC[*:1])c(n1)C(=O)[O-]
CC(C)c1ncc(SC[C@H](O)CO)c(C(=O)[O-])n1 OC[C@@H](O)CS[*:1] CC(C)c1ncc(c(n1)C(=O)[O-])[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1cccs1)c1ccccc1 COC(=O)[*:1] C[C@@H]([C@@H](NC(=O)Cc1cccs1)c1ccccc1)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1cccs1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1cccs1)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1cccs1)c1ccccc1 c1csc(c1)[*:1] COC(=O)[C@@H](C)[C@@H](NC(=O)C[*:1])c1ccccc1
COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1cccs1)c1ccccc1 c1csc(c1)C[*:1] COC(=O)[C@@H](C)[C@@H](NC(=O)[*:1])c1ccccc1
COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1cccs1)c1ccccc1 COC(=O)[C@@H](C)[*:1] O=C(Cc1cccs1)N[C@@H](c1ccccc1)[*:1]
N#Cc1cccc(N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)n1 C1CC1C[*:1] N#Cc1cccc(n1)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
N#Cc1cccc(N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)n1 C1CC1[*:1] N#Cc1cccc(n1)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
CC(C)CC(=O)N[C@@H](C)c1ccc(Cl)s1 CC(C)C[*:1] C[C@H](NC(=O)[*:1])c1ccc(Cl)s1
CC(C)CC(=O)N[C@@H](C)c1ccc(Cl)s1 CC(C)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(Cl)s1
Cc1cnc([C@@H](C)NC(=O)C(=O)Nc2ccccc2OC(C)(C)C)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccccc1OC(C)(C)C)[*:1]
Cc1cnc([C@@H](C)NC(=O)C(=O)Nc2ccccc2OC(C)(C)C)s1 CC(C)(C)O[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)C(=O)Nc1ccccc1[*:1]
Cc1cnc([C@@H](C)NC(=O)C(=O)Nc2ccccc2OC(C)(C)C)s1 CC(C)(C)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[*:1]
COC[C@H](NC(=O)CC1(O)CCCCC1)c1ccc(F)c(F)c1 OC1(CCCCC1)[*:1] COC[C@H](NC(=O)C[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)CC1(O)CCCCC1)c1ccc(F)c(F)c1 COC[*:1] O=C(CC1(O)CCCCC1)N[C@H](c1ccc(F)c(F)c1)[*:1]
Cc1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)c(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)c(C)n1C[*:1]
Cc1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)c(C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)c(C)n1[*:1]
CCCC(=O)N1CCC(n2nc(C(=O)OCC)cc2C2CC2)CC1 C1CC1[*:1] CCCC(=O)N1CCC(CC1)n1nc(cc1[*:1])C(=O)OCC
CCCC(=O)N1CCC(n2nc(C(=O)OCC)cc2C2CC2)CC1 CCOC(=O)[*:1] CCCC(=O)N1CCC(CC1)n1nc(cc1C1CC1)[*:1]
CCCC(=O)N1CCC(n2nc(C(=O)OCC)cc2C2CC2)CC1 CCC[*:1] CCOC(=O)c1cc(C2CC2)n(n1)C1CCN(CC1)C(=O)[*:1]
CC(=O)c1cccc(OC(=O)CCC(=O)c2ccc(C)c(C)c2)c1 CC(=O)[*:1] Cc1ccc(cc1C)C(=O)CCC(=O)Oc1cccc(c1)[*:1]
CC(=O)c1cccc(OC(=O)CCC(=O)c2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] CC(=O)c1cccc(c1)OC(=O)CCC(=O)[*:1]
C[C@@H](NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1)c1ccc2c(c1)OCCO2 C1CC1[*:1] C[C@@H](NC(=O)CSc1nnc(N2CCCCC2)n1[*:1])c1ccc2OCCOc2c1
C[C@@H](NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C[C@@H](NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1)[*:1]
C[C@@H](NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1)c1ccc2c(c1)OCCO2 C1CCN(CC1)[*:1] C[C@@H](NC(=O)CSc1nnc(n1C1CC1)[*:1])c1ccc2OCCOc2c1
COc1ccc2c(c1)C1=NC(=S)N(CCC(=O)NCc3ccccc3Cl)C(=O)C1=N2 Clc1ccccc1[*:1] COc1ccc2N=C3C(=O)N(CCC(=O)NC[*:1])C(=S)N=C3c2c1
COc1ccc2c(c1)C1=NC(=S)N(CCC(=O)NCc3ccccc3Cl)C(=O)C1=N2 Clc1ccccc1C[*:1] COc1ccc2N=C3C(=O)N(CCC(=O)N[*:1])C(=S)N=C3c2c1
Cc1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 Cc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1)NC(=O)C(=O)NCc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)NC2CCC(C)CC2)cc1 CC1CCC(CC1)[*:1] COC(=O)c1ccc(cc1)NC(=O)N[*:1]
COC(=O)c1ccc(NC(=O)NC2CCC(C)CC2)cc1 COC(=O)[*:1] CC1CCC(CC1)NC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc2nc(-c3ccc(N)c(S(=O)(=O)[O-])c3)sc2c1 O=S(=O)([O-])[*:1] Cc1ccc2nc(sc2c1)-c1ccc(N)c(c1)[*:1]
CO[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 CO[C@@H](C)C(=O)N[*:1] O=C(Nc1cccnc1)c1ccc(cc1)[*:1]
CO[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 CO[C@@H](C)[*:1] O=C(Nc1cccnc1)c1ccc(cc1)NC(=O)[*:1]
CO[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 c1cncc(c1)[*:1] CO[C@@H](C)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br Brc1ccc(c(Br)c1)[*:1] COc1cc(ccc1NC(=O)[C@H](C)O[*:1])[N+](=O)[O-]
COc1ccc(-c2ncc(C(=O)N(C)CCC(C)C)s2)cc1 CC(C)C[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)N(C)C[*:1]
COc1ccc(-c2ncc(C(=O)N(C)CCC(C)C)s2)cc1 CC(C)CC[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)N(C)[*:1]
COc1ccc(-c2ncc(C(=O)N(C)CCC(C)C)s2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)N(C)CC[*:1]
CC(C)OC(=O)OC1CCC([NH3+])CC1 CC(C)[*:1] [NH3+]C1CCC(CC1)OC(=O)O[*:1]
COCCN1CCN(C(=O)C(C)(C)Oc2cccc(Cl)c2)CC1=O COC[*:1] CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCN(C[*:1])C(=O)C1
COCCN1CCN(C(=O)C(C)(C)Oc2cccc(Cl)c2)CC1=O Clc1cccc(c1)O[*:1] COCCN1CCN(CC1=O)C(=O)C(C)(C)[*:1]
COCCN1CCN(C(=O)C(C)(C)Oc2cccc(Cl)c2)CC1=O Clc1cccc(c1)[*:1] COCCN1CCN(CC1=O)C(=O)C(C)(C)O[*:1]
COCCN1CCN(C(=O)C(C)(C)Oc2cccc(Cl)c2)CC1=O COCC[*:1] CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)C1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccc3c(c2)OCO3)nc1 CCN(CC)S(=O)(=O)[*:1] C/C(=N\Nc1ccc(cn1)[*:1])c1ccc2OCOc2c1
CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccc3c(c2)OCO3)nc1 c1cc2OCOc2cc1[*:1] CCN(CC)S(=O)(=O)c1ccc(nc1)NN=C(C)[*:1]
CCCNc1cc(C)ccc1C(=O)NCc1nc(C)cs1 CCC[*:1] Cc1ccc(C(=O)NCc2nc(C)cs2)c(c1)N[*:1]
CCCNc1cc(C)ccc1C(=O)NCc1nc(C)cs1 Cc1csc(C[*:1])n1 CCCNc1cc(C)ccc1C(=O)N[*:1]
CCCNc1cc(C)ccc1C(=O)NCc1nc(C)cs1 CCCN[*:1] Cc1ccc(C(=O)NCc2nc(C)cs2)c(c1)[*:1]
CCCNc1cc(C)ccc1C(=O)NCc1nc(C)cs1 Cc1csc(n1)[*:1] CCCNc1cc(C)ccc1C(=O)NC[*:1]
NC(=O)c1ccc(CSc2ncccc2Br)cc1 NC(=O)[*:1] Brc1cccnc1SCc1ccc(cc1)[*:1]
CCC[C@](C)(CO)NC(=O)NCc1ccc(F)c(C)c1 CCC[*:1] Cc1cc(ccc1F)CNC(=O)N[C@](C)(CO)[*:1]
CCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 CCNC(=O)[*:1] N#Cc1cccc(c1)NC(=O)CSc1ccccc1[*:1]
CCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CCNC(=O)c1ccccc1SCC(=O)N[*:1]
C=CCn1cc(C(=O)NOCC)c2ccccc21 C=CC[*:1] CCONC(=O)c1cn(c2ccccc12)[*:1]
C=CCn1cc(C(=O)NOCC)c2ccccc21 CCONC(=O)[*:1] C=CCn1cc(c2ccccc21)[*:1]
CCc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)[C@@H](C)NC(=O)c1ccccc1
CCc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)[C@@H](C)NC(=O)[*:1]
CC[C@H](C)Oc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cc1 CC[C@H](C)O[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCCCN1C(=O)c1ccco1
CC[C@H](C)Oc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cc1 c1coc(c1)[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)[C@@H]1CCCCN1C(=O)[*:1]
CC[C@H](C)Oc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cc1 CC[C@H](C)[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@@H]1CCCCN1C(=O)c1ccco1
CSCC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O O=[N+]([O-])c1ccc(cc1)[*:1] CSCC[C@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CSCC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O CSCC[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
CSCC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O O=[N+]([O-])[*:1] CSCC[C@H](C(=O)Nc1ccc(cc1)[*:1])N1C(=O)c2ccccc2C1=O
CSCC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O CSC[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])[C@@H](C[*:1])N1C(=O)c2ccccc2C1=O
COc1ccc(Cl)cc1CCNC(=O)NCc1cnc(C)s1 Cc1ncc(s1)[*:1] COc1ccc(Cl)cc1CCNC(=O)NC[*:1]
COc1ccc(Cl)cc1CCNC(=O)NCc1cnc(C)s1 Cc1ncc(C[*:1])s1 COc1ccc(Cl)cc1CCNC(=O)N[*:1]
COc1ccc(C(C)(C)CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H](NCC(C)(C)[*:1])c1ccc(cc1)[S@@](C)=O
COc1ccc(C(C)(C)CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 C[S@@](=O)[*:1] COc1ccc(cc1)C(C)(C)CN[C@@H](C)c1ccc(cc1)[*:1]
CC(C)(C)NC(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 CC(C)(C)[*:1] O=C(NCC1CCN(CC1)C(=O)N[*:1])C(=O)Nc1ccccc1[N+](=O)[O-]
CC(C)(C)NC(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] CC(C)(C)NC(=O)N1CCC(CC1)CNC(=O)C(=O)N[*:1]
CC(C)(C)NC(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC(C)(C)NC(=O)N1CCC(CC1)CNC(=O)C(=O)Nc1ccccc1[*:1]
CCn1nnc2cc(C(=O)NNC(=O)c3ccc(C)cc3O)ccc21 Cc1ccc(c(O)c1)[*:1] CCn1nnc2cc(ccc21)C(=O)NNC(=O)[*:1]
O=C(Nc1ccc(-n2cncn2)nc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Nc1ccc(nc1)-n1cncn1)c1cccc(c1)[*:1]
O=C(Nc1ccc(-n2cncn2)nc1)c1cccc(C(F)(F)F)c1 c1ncn(n1)[*:1] O=C(Nc1ccc(nc1)[*:1])c1cccc(c1)C(F)(F)F
Cc1[nH]nc(C(N)=O)c1NC(=O)Cc1cccc(Cl)c1 NC(=O)[*:1] Cc1[nH]nc(c1NC(=O)Cc1cccc(Cl)c1)[*:1]
COC(=O)CCNC(=O)C(c1ccccc1)c1ccccc1 COC(=O)[*:1] O=C(NCC[*:1])C(c1ccccc1)c1ccccc1
COC(=O)CCNC(=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)CCNC(=O)C(c1ccccc1)[*:1]
COC(=O)CCNC(=O)C(c1ccccc1)c1ccccc1 COC(=O)C[*:1] O=C(NC[*:1])C(c1ccccc1)c1ccccc1
COC(=O)CCNC(=O)C(c1ccccc1)c1ccccc1 COC(=O)CC[*:1] O=C(N[*:1])C(c1ccccc1)c1ccccc1
COc1ccc(C(C)=O)cc1CC(=O)N1CCc2c(F)ccc(F)c2C1 CC(=O)[*:1] COc1ccc(cc1CC(=O)N1CCc2c(F)ccc(F)c2C1)[*:1]
COc1cc(C(=O)N[C@@H](CO)c2ccccc2F)cc(Cl)c1OC Fc1ccccc1[*:1] COc1cc(cc(Cl)c1OC)C(=O)N[C@@H](CO)[*:1]
C/C(=C\C(=O)Nc1cccc(Cl)c1)NNC(=O)c1ccccc1O Clc1cccc(c1)[*:1] C/C(=C\C(=O)N[*:1])NNC(=O)c1ccccc1O
C/C(=C\C(=O)Nc1cccc(Cl)c1)NNC(=O)c1ccccc1O Oc1ccccc1[*:1] C/C(=C\C(=O)Nc1cccc(Cl)c1)NNC(=O)[*:1]
C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[*:1]
C[NH2+][C@H](Cc1ccccc1Br)C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] C[NH2+][C@H](Cc1ccccc1Br)C(C)(C)[*:1]
CC(C)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C CC(C)C[*:1] CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N[*:1])C(=O)C2
CC(C)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C CC(C)[*:1] CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NC[*:1])C(=O)C2
CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)/C=C(/c2ccccc2)C(F)(F)F)C1 FC(F)(F)[*:1] CS(=O)(=O)[C@@H]1CC[C@H](C1)OC(=O)C=C(c1ccccc1)[*:1]
CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)/C=C(/c2ccccc2)C(F)(F)F)C1 c1ccc(cc1)[*:1] CS(=O)(=O)[C@@H]1CC[C@H](C1)OC(=O)/C=C(\C(F)(F)F)[*:1]
CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)/C=C(/c2ccccc2)C(F)(F)F)C1 CS(=O)(=O)[*:1] O=C(/C=C(/c1ccccc1)C(F)(F)F)O[C@@H]1CC[C@H](C1)[*:1]
COc1ncnc(NC[C@@H]2CCCC[C@H]2CO)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ncnc(NC[C@@H]2CCCC[C@H]2CO)c1[*:1]
COc1cccc(-c2cc3n(C)c(C)c(CCC(=O)Nc4cc(C)ccc4OC)c(=O)n3n2)c1 COc1ccc(C)cc1[*:1] COc1cccc(c1)-c1cc2n(C)c(C)c(CCC(=O)N[*:1])c(=O)n2n1
COc1cccc(-c2cc3n(C)c(C)c(CCC(=O)Nc4cc(C)ccc4OC)c(=O)n3n2)c1 COc1cccc(c1)[*:1] COc1ccc(C)cc1NC(=O)CCc1c(C)n(C)c2cc(nn2c1=O)[*:1]
COc1ccccc1S(=O)(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 C1CC1[*:1] COc1ccccc1S(=O)(=O)N1CCN(C[C@@H]1Cc1ccccc1)[*:1]
COc1ccccc1S(=O)(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccccc1S(=O)(=O)N1CCN(C[C@H]1[*:1])C1CC1
COc1ccccc1S(=O)(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 COc1ccccc1[*:1] O=S(=O)(N1CCN(C[C@@H]1Cc1ccccc1)C1CC1)[*:1]
COc1ccccc1S(=O)(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1S(=O)(=O)N1CCN(C[C@@H]1C[*:1])C1CC1
O=C(Nc1ccccc1N1CCCCCC1)N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1N1CCCCCC1)N1CC[C@@](O)(C1)[*:1]
O=C(Nc1ccccc1N1CCCCCC1)N1CC[C@@](O)(C(F)(F)F)C1 C1CCCN(CC1)[*:1] O=C(Nc1ccccc1[*:1])N1CC[C@](O)(C1)C(F)(F)F
COc1ccc(NC(=O)[C@H](OC(=O)c2cc(Cl)c[nH]2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@H](OC(=O)c2cc(Cl)c[nH]2)C(C)C)cc1 Clc1c[nH]c(c1)[*:1] COc1ccc(cc1)NC(=O)[C@H](OC(=O)[*:1])C(C)C
COc1ccc(NC(=O)[C@H](OC(=O)c2cc(Cl)c[nH]2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)[C@H](OC(=O)c1cc(Cl)c[nH]1)[*:1]
Cc1nnc(SCC(=O)NCCc2cccc(Cl)c2Cl)n1N Cc1nnc(n1N)[*:1] O=C(CS[*:1])NCCc1cccc(Cl)c1Cl
COc1ccc([C@H](NC(=O)C(F)(F)F)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](NC(=O)C(F)(F)F)[*:1]
COc1ccc([C@H](NC(=O)C(F)(F)F)c2ccccc2)cc1 O=C(N[*:1])C(F)(F)F COc1ccc(cc1)[C@H](c1ccccc1)[*:1]
COc1ccc([C@H](NC(=O)C(F)(F)F)c2ccccc2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H](NC(=O)[*:1])c1ccccc1
NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cccc(C(F)(F)F)c1 NC(=O)[*:1] O=[N+]([O-])c1cnc(Nc2cccc(c2)C(F)(F)F)c(c1)[*:1]
NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cccc(C(F)(F)F)c1 O=[N+]([O-])[*:1] NC(=O)c1cc(cnc1Nc1cccc(c1)C(F)(F)F)[*:1]
NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] NC(=O)c1cc(cnc1Nc1cccc(c1)[*:1])[N+](=O)[O-]
O=C(Nc1cnc(C2CC2)nc1)N1CCO[C@@H](c2cccs2)C1 C1CC1[*:1] O=C(Nc1cnc(nc1)[*:1])N1CCO[C@H](C1)c1cccs1
O=C(Nc1cnc(C2CC2)nc1)N1CCO[C@@H](c2cccs2)C1 c1csc(c1)[*:1] O=C(Nc1cnc(nc1)C1CC1)N1CCO[C@@H](C1)[*:1]
Cc1ccc(NC(=O)c2cc(C3CC3)[nH]n2)c(Br)c1 C1CC1[*:1] Cc1ccc(NC(=O)c2cc([nH]n2)[*:1])c(Br)c1
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccccc1)c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)CC[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccccc1)[*:1])c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] O=C1C([O-])=C([C@@H](c2ccccc2)N1CCc1ccccc1)[*:1]
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccccc1)c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1[*:1])c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccccc2)N1CCc1ccccc1
CCCCC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 c1ccc(cc1)[*:1] CCCCC(=O)N1CCC(CC1)c1nc(n[nH]1)[*:1]
CCCCC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 CCC[*:1] O=C(C[*:1])N1CCC(CC1)c1nc(n[nH]1)-c1ccccc1
CCCCC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 CCCC[*:1] O=C(N1CCC(CC1)c1nc(n[nH]1)-c1ccccc1)[*:1]
COc1ccc(CCc2nnc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)s2)cc1 COc1ccc(cc1)[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1nnc(CC[*:1])s1
O=C(NCC[C@@H](O)c1cccc2ccccc12)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(NCC[C@@H](O)c1cccc2ccccc12)N[*:1]
C/C(=C\CN1CC(=O)N2CCC[C@H]2C1=O)C(=O)[O-] CC(=C[*:1])C(=O)[O-] O=C1[C@@H]2CCCN2C(=O)CN1C[*:1]
C/C(=C\CN1CC(=O)N2CCC[C@H]2C1=O)C(=O)[O-] O=C([O-])[*:1] CC(=CCN1CC(=O)N2CCC[C@H]2C1=O)[*:1]
C[C@@H]([NH2+][C@H](C)c1nccs1)c1ccc(OCC2CC2)c(F)c1 c1csc(n1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1ccc(OCC2CC2)c(F)c1
C[C@@H]([NH2+][C@H](C)c1nccs1)c1ccc(OCC2CC2)c(F)c1 C1CC1[*:1] C[C@@H]([NH2+][C@H](C)c1nccs1)c1ccc(OC[*:1])c(F)c1
C[C@@H]([NH2+][C@H](C)c1nccs1)c1ccc(OCC2CC2)c(F)c1 C1CC1C[*:1] C[C@@H]([NH2+][C@H](C)c1nccs1)c1ccc(O[*:1])c(F)c1
C[C@@H]([NH2+][C@H](C)c1nccs1)c1ccc(OCC2CC2)c(F)c1 C1CC1CO[*:1] C[C@@H]([NH2+][C@H](C)c1nccs1)c1ccc(c(F)c1)[*:1]
CC(C)[C@H](O)CCNC(=O)Nc1cncc2ccccc12 CC(C)[C@H](O)C[*:1] O=C(NC[*:1])Nc1cncc2ccccc12
CC(C)[C@H](O)CCNC(=O)Nc1cncc2ccccc12 CC(C)[C@H](O)CC[*:1] O=C(Nc1cncc2ccccc12)N[*:1]
CC(C)[C@H](O)CCNC(=O)Nc1cncc2ccccc12 CC(C)[C@H](O)[*:1] O=C(NCC[*:1])Nc1cncc2ccccc12
CC(C)[C@H](O)CCNC(=O)Nc1cncc2ccccc12 CC(C)[*:1] O=C(NCC[C@@H](O)[*:1])Nc1cncc2ccccc12
O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 O=[N+]([O-])c1ccc(s1)[*:1] FC(F)(F)c1cccc(c1)N1CC[NH+](CC1)C[*:1]
O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 O=[N+]([O-])[*:1] FC(F)(F)c1cccc(c1)N1CC[NH+](CC1)Cc1ccc(s1)[*:1]
O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 FC(F)(F)[*:1] O=[N+]([O-])c1ccc(C[NH+]2CCN(CC2)c2cccc(c2)[*:1])s1
COC(=O)c1cc2ccccc2cc1NC(=O)[C@H](C)OC CO[C@@H](C)[*:1] COC(=O)c1cc2ccccc2cc1NC(=O)[*:1]
COC(=O)c1cc2ccccc2cc1NC(=O)[C@H](C)OC COC(=O)[*:1] CO[C@@H](C)C(=O)Nc1cc2ccccc2cc1[*:1]
COC(=O)c1cc2ccccc2cc1NC(=O)[C@H](C)OC CO[C@@H](C)C(=O)N[*:1] COC(=O)c1cc2ccccc2cc1[*:1]
CC(=O)NCc1ccc(-c2noc(/C=C/c3ccc(C)o3)n2)s1 Cc1ccc(o1)[*:1] CC(=O)NCc1ccc(s1)-c1noc(C=C[*:1])n1
CC(=O)NCc1ccc(-c2noc(/C=C/c3ccc(C)o3)n2)s1 CC(=O)N[*:1] Cc1ccc(/C=C/c2nc(no2)-c2ccc(C[*:1])s2)o1
CC(=O)NCc1ccc(-c2noc(/C=C/c3ccc(C)o3)n2)s1 CC(=O)NC[*:1] Cc1ccc(/C=C/c2nc(no2)-c2ccc(s2)[*:1])o1
CNc1nc(N2CCCC2)[nH+]c2ccccc12 C1CCN(C1)[*:1] CNc1nc([nH+]c2ccccc12)[*:1]
CC(C)(C)[NH2+]CC(=O)NC[C@@H]1CCCO1 CC(C)(C)[*:1] O=C(C[NH2+][*:1])NC[C@@H]1CCCO1
CC(C)(C)[NH2+]CC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(C)(C)[NH2+]CC(=O)NC[*:1]
O=C([O-])c1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)cc1 O=C([O-])[*:1] OC1C[C@@H](c2ccc(cc2)[*:1])c2ncn(-c3cccc(Cl)c3)c2N=1
O=C([O-])c1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] O=C([O-])c1ccc(cc1)[C@@H]1CC(O)=Nc2c1ncn2[*:1]
C=CCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1 C=CCNC(=O)[*:1] Cc1ccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])o1
C=CCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1 C=CC[*:1] Cc1ccc(/C=C/C(=O)Nc2ccc(cc2)C(=O)N[*:1])o1
C=CCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)C=C[*:1]
CC1(C)CSC[C@H](Nc2ccc(C(N)=O)c(Cl)c2)C1 NC(=O)[*:1] CC1(C)CSC[C@@H](C1)Nc1ccc(c(Cl)c1)[*:1]
Cc1ccc(OCCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](NC(=O)CCO[*:1])c1ccc2OCOc2c1
COC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cc(C)cc(C)c21 O=[N+]([O-])c1ccc(o1)[*:1] COC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc(C)cc(C)c21
COC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cc(C)cc(C)c21 COC(=O)[*:1] Cc1cc(C)c2c(c1)s/c(=N\C(=O)c1ccc(o1)[N+](=O)[O-])n2C[*:1]
COC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cc(C)cc(C)c21 O=[N+]([O-])[*:1] COC(=O)Cn1/c(=N/C(=O)c2ccc(o2)[*:1])sc2cc(C)cc(C)c21
COC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cc(C)cc(C)c21 COC(=O)C[*:1] Cc1cc(C)c2c(c1)s/c(=N\C(=O)c1ccc(o1)[N+](=O)[O-])n2[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@](C)(O)c1ccccc1 c1ccc(cc1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NC[C@](C)(O)[*:1]
Cc1cc(C(=O)Oc2ccc3ccccc3c2)co1 Cc1cc(co1)[*:1] O=C(Oc1ccc2ccccc2c1)[*:1]
CCCc1ccccc1O[C@H]1C[NH2+][C@H](C(=O)OC)C1 COC(=O)[*:1] CCCc1ccccc1O[C@H]1C[NH2+][C@H](C1)[*:1]
CCCc1ccccc1O[C@H]1C[NH2+][C@H](C(=O)OC)C1 CCC[*:1] COC(=O)[C@@H]1C[C@H](C[NH2+]1)Oc1ccccc1[*:1]
Nc1nc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 Nc1nc(n[nH]1)[*:1] O=C(CS[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
Nc1nc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 Nc1nc(n[nH]1)S[*:1] O=C(C[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
Nc1nc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 O=[N+]([O-])[*:1] Nc1nc(n[nH]1)SCC(=O)Nc1ccc(Cl)c(c1)[*:1]
COC(=O)c1cnn2c1ncc1c(=O)n(-c3ccc(OC(F)(F)F)cc3)ccc12 COC(=O)[*:1] O=c1c2cnc3c(cnn3c2ccn1-c1ccc(cc1)OC(F)(F)F)[*:1]
COC(=O)c1cnn2c1ncc1c(=O)n(-c3ccc(OC(F)(F)F)cc3)ccc12 FC(F)(F)[*:1] COC(=O)c1cnn2c1ncc1c(=O)n(ccc12)-c1ccc(cc1)O[*:1]
COC(=O)c1cnn2c1ncc1c(=O)n(-c3ccc(OC(F)(F)F)cc3)ccc12 FC(F)(F)O[*:1] COC(=O)c1cnn2c1ncc1c(=O)n(ccc12)-c1ccc(cc1)[*:1]
Cc1cccc(N2C[C@@H](C(=O)NCCc3nnc(N)s3)CC2=O)c1C Cc1cccc(c1C)[*:1] Nc1nnc(CCNC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
Cc1cccc(N2C[C@@H](C(=O)NCCc3nnc(N)s3)CC2=O)c1C Nc1nnc(s1)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)NCC[*:1]
Cc1cccc(N2C[C@@H](C(=O)NCCc3nnc(N)s3)CC2=O)c1C Nc1nnc(CC[*:1])s1 Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1cccc(N2C[C@@H](C(=O)NCCc3nnc(N)s3)CC2=O)c1C Nc1nnc(C[*:1])s1 Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)NC[*:1]
C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] C[NH+](C)Cc1ccc(cc1)-c1ccccc1CNC(=O)C[*:1]
C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] C[NH+](C)Cc1ccc(cc1)-c1ccccc1CNC(=O)[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H](C)O[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 CC(=O)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)c1sc(NC(=O)c2cc3ccc(OC)cc3[nH]2)nc1C CCOC(=O)[*:1] COc1ccc2cc([nH]c2c1)C(=O)Nc1nc(C)c(s1)[*:1]
Cc1cccc(C(=O)N2CCC([C@H](NC(=O)c3cccs3)C(=O)N[C@H](C)C(C)C)CC2)c1 CC(C)[C@@H](C)[*:1] Cc1cccc(c1)C(=O)N1CCC(CC1)[C@H](NC(=O)c1cccs1)C(=O)N[*:1]
Cc1cccc(C(=O)N2CCC([C@H](NC(=O)c3cccs3)C(=O)N[C@H](C)C(C)C)CC2)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N1CCC(CC1)[C@H](NC(=O)c1cccs1)C(=O)N[C@H](C)[*:1]
Cc1cccc(C(=O)N2CCC([C@H](NC(=O)c3cccs3)C(=O)N[C@H](C)C(C)C)CC2)c1 O=C(N[*:1])c1cccs1 Cc1cccc(c1)C(=O)N1CCC(CC1)[C@H](C(=O)N[C@H](C)C(C)C)[*:1]
Cc1cccc(C(=O)N2CCC([C@H](NC(=O)c3cccs3)C(=O)N[C@H](C)C(C)C)CC2)c1 Cc1cccc(c1)[*:1] CC(C)[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(CC1)C(=O)[*:1]
Cc1cccc(C(=O)N2CCC([C@H](NC(=O)c3cccs3)C(=O)N[C@H](C)C(C)C)CC2)c1 c1csc(c1)[*:1] Cc1cccc(c1)C(=O)N1CCC(CC1)[C@H](NC(=O)[*:1])C(=O)N[C@H](C)C(C)C
Cc1ccc(C(C)(C)C[NH+](C)CCS(N)(=O)=O)cc1 NS(=O)(=O)C[*:1] Cc1ccc(cc1)C(C)(C)C[NH+](C)C[*:1]
Cc1ccc(C(C)(C)C[NH+](C)CCS(N)(=O)=O)cc1 NS(=O)(=O)CC[*:1] Cc1ccc(cc1)C(C)(C)C[NH+](C)[*:1]
Cc1ccc(C(C)(C)C[NH+](C)CCS(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1)C(C)(C)C[NH+](C)CC[*:1]
CCc1noc(CC)c1CNC(=O)Nc1cccc(-c2nnnn2CC)c1 CCn1nnnc1[*:1] CCc1noc(CC)c1CNC(=O)Nc1cccc(c1)[*:1]
CCc1noc(CC)c1CNC(=O)Nc1cccc(-c2nnnn2CC)c1 CCc1noc(CC)c1[*:1] CCn1nnnc1-c1cccc(c1)NC(=O)NC[*:1]
COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(OC)cc2F)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H]([NH2+][C@@H](C)c1ccc(cc1F)OC)[*:1]
COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(OC)cc2F)C2CCOCC2)cc1 COc1ccc(c(F)c1)[*:1] COc1ccc(cc1)[C@H]([NH2+][C@@H](C)[*:1])C1CCOCC1
COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(OC)cc2F)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] COc1ccc(c(F)c1)[C@H](C)[NH2+][C@H](C1CCOCC1)[*:1]
Cn1ncc(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1=O C1CO[C@@H](C1)[*:1] Cn1ncc(cc1=O)N1CCC(CC1)C(=O)NC[*:1]
Cn1ncc(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1=O C1CO[C@@H](C1)C[*:1] Cn1ncc(cc1=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N CC(C)[C@H](C)[*:1] Nn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)N[*:1]
CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N CC(C)[*:1] C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N)[*:1]
CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N Clc1ccc(cc1)[*:1] CC(C)[C@H](C)NC(=O)CSc1nnc(n1N)[*:1]
C[C@@H](NC(=O)c1ccco1)C(=O)NCCN(C)c1ccccc1 c1coc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NCCN(C)c1ccccc1
C[C@@H](NC(=O)c1ccco1)C(=O)NCCN(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccco1)C(=O)NCCN(C)[*:1]
CC[C@H](CCO)NC(=O)Nc1cccc(OC(F)(F)F)c1 CC[C@H](CCO)[*:1] O=C(Nc1cccc(c1)OC(F)(F)F)N[*:1]
CC[C@H](CCO)NC(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] CC[C@H](CCO)NC(=O)Nc1cccc(c1)[*:1]
CC[C@H](CCO)NC(=O)Nc1cccc(OC(F)(F)F)c1 OCC[*:1] CC[C@H](NC(=O)Nc1cccc(c1)OC(F)(F)F)[*:1]
CC[C@H](CCO)NC(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](CCO)NC(=O)Nc1cccc(c1)O[*:1]
O=C(C[NH+]1CCCC1)N1CCN(Cc2cnc(-c3ccsc3)s2)CC1 c1cc(cs1)[*:1] O=C(C[NH+]1CCCC1)N1CCN(CC1)Cc1cnc(s1)[*:1]
CC(C)n1nccc1NC(=O)NC[C@H]1Cc2ccccc2O1 CC(C)[*:1] O=C(NC[C@H]1Cc2ccccc2O1)Nc1ccnn1[*:1]
C[C@H]1CCN(C(=O)CCCn2ccnn2)c2cc(C(F)(F)F)ccc2S1 c1cn(C[*:1])nn1 C[C@H]1CCN(C(=O)CC[*:1])c2cc(ccc2S1)C(F)(F)F
C[C@H]1CCN(C(=O)CCCn2ccnn2)c2cc(C(F)(F)F)ccc2S1 c1cn(nn1)[*:1] C[C@H]1CCN(C(=O)CCC[*:1])c2cc(ccc2S1)C(F)(F)F
C[C@H]1CCN(C(=O)CCCn2ccnn2)c2cc(C(F)(F)F)ccc2S1 c1cn(CCC[*:1])nn1 C[C@H]1CCN(C(=O)[*:1])c2cc(ccc2S1)C(F)(F)F
C[C@H]1CCN(C(=O)CCCn2ccnn2)c2cc(C(F)(F)F)ccc2S1 FC(F)(F)[*:1] C[C@H]1CCN(C(=O)CCCn2ccnn2)c2cc(ccc2S1)[*:1]
C[C@H]1CCN(C(=O)CCCn2ccnn2)c2cc(C(F)(F)F)ccc2S1 c1cn(CC[*:1])nn1 C[C@H]1CCN(C(=O)C[*:1])c2cc(ccc2S1)C(F)(F)F
CCN(CC(C)(C)O)C(=O)NC[C@@](C)(O)CC(=O)[O-] CC(C)(O)[*:1] CCN(C[*:1])C(=O)NC[C@@](C)(O)CC(=O)[O-]
CCN(CC(C)(C)O)C(=O)NC[C@@](C)(O)CC(=O)[O-] CC(C)(O)C[*:1] CCN(C(=O)NC[C@@](C)(O)CC(=O)[O-])[*:1]
CCN(CC(C)(C)O)C(=O)NC[C@@](C)(O)CC(=O)[O-] O=C([O-])[*:1] CCN(CC(C)(C)O)C(=O)NC[C@@](C)(O)C[*:1]
CCN(CC(C)(C)O)C(=O)NC[C@@](C)(O)CC(=O)[O-] O=C([O-])C[*:1] CCN(CC(C)(C)O)C(=O)NC[C@@](C)(O)[*:1]
COc1cccc2c1O/C(=N/O)[C@@H](C(=O)Nc1cccc(C)c1C)C2 Cc1cccc(c1C)[*:1] COc1cccc2C[C@H](C(=O)N[*:1])/C(=N\O)Oc21
COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCNC1=O COc1ccccc1[*:1] C[C@H]1C[C@@H]1C(=O)N1CCNC(=O)[C@H](Cc2ccccc2[*:1])C1
Cn1cc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])N1CCCCC[C@H]1c1ccncc1
Cn1cc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cn1 c1cc(ccn1)[*:1] Cn1cc(cn1)NC(=O)N1CCCCC[C@@H]1[*:1]
C[NH+](C)C[C@](C)(O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 c1ccc([nH+]c1)[*:1] C[NH+](C)C[C@](C)(O)C[NH2+]C1CCN(CC1)[*:1]
Cc1csc(SCC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)n1 C1CC1[*:1] Cc1csc(n1)SCC(=O)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
Cc1csc(SCC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)n1 Cc1csc(n1)[*:1] O=C(CS[*:1])N1CC[C@]2(CCCN(CC3CC3)C2=O)C1
Cc1csc(SCC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)n1 Cc1csc(n1)SC[*:1] O=C1N(CCC[C@]12CCN(C2)C(=O)[*:1])CC1CC1
Cc1csc(SCC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)n1 C1CC1C[*:1] Cc1csc(n1)SCC(=O)N1CC[C@]2(CCCN(C2=O)[*:1])C1
Cc1csc(SCC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)n1 Cc1csc(n1)S[*:1] O=C(C[*:1])N1CC[C@]2(CCCN(CC3CC3)C2=O)C1
CC(C)C[C@@H](C)N(C)C(=O)COc1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CC(C)C[C@@H](C)N(C)C(=O)COc1cccc(c1)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)COc1cccc(S(C)(=O)=O)c1 CC(C)[*:1] C[C@H](C[*:1])N(C)C(=O)COc1cccc(c1)S(C)(=O)=O
CC(C)C[C@@H](C)N(C)C(=O)COc1cccc(S(C)(=O)=O)c1 CC(C)C[*:1] C[C@@H](N(C)C(=O)COc1cccc(c1)S(C)(=O)=O)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)COc1cccc(S(C)(=O)=O)c1 CC(C)C[C@@H](C)[*:1] CN(C(=O)COc1cccc(c1)S(C)(=O)=O)[*:1]
Cc1ccc(OCC[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CC[NH+](CCO[*:1])CC1)Nc1ccccc1
Cc1ccc(OCC[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(CN1CC[NH+](CC1)CC[*:1])Nc1ccccc1
Cc1ccc(OCC[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OCC[NH+]1CCN(CC1)CC(=O)N[*:1]
C[NH+](CC(=O)N1CCCC1)Cc1cc(-c2cccs2)[nH]n1 c1csc(c1)[*:1] C[NH+](CC(=O)N1CCCC1)Cc1cc([nH]n1)[*:1]
C[NH+](CC(=O)N1CCCC1)Cc1cc(-c2cccs2)[nH]n1 O=C(N1CCCC1)[*:1] C[NH+](Cc1cc([nH]n1)-c1cccs1)C[*:1]
COc1ncccc1CNc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COc1ncccc1CNc1cccc(c1)[*:1]
CC(=O)Nc1nc(-c2cccs2)c(-c2ccccc2)s1 c1csc(c1)[*:1] CC(=O)Nc1nc(c(s1)-c1ccccc1)[*:1]
CC(=O)Nc1nc(-c2cccs2)c(-c2ccccc2)s1 CC(=O)N[*:1] c1ccc(cc1)-c1sc(nc1-c1cccs1)[*:1]
CC(=O)Nc1nc(-c2cccs2)c(-c2ccccc2)s1 c1ccc(cc1)[*:1] CC(=O)Nc1nc(-c2cccs2)c(s1)[*:1]
CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)n1cnc(C#N)n1 N#Cc1ncn(n1)[*:1] CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[*:1]
CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)n1cnc(C#N)n1 CCOC(=O)[*:1] CCc1cc(c(NC(=O)[C@H](C)n2cnc(C#N)n2)s1)[*:1]
CCOc1ccc(CN(C(=O)Cc2coc3ccc4ccccc4c23)[C@H]2CCS(=O)(=O)C2)cc1 CCOc1ccc(cc1)C[*:1] O=C(Cc1coc2ccc3ccccc3c12)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCOc1ccc(CN(C(=O)Cc2coc3ccc4ccccc4c23)[C@H]2CCS(=O)(=O)C2)cc1 CCO[*:1] O=C(Cc1coc2ccc3ccccc3c12)N(Cc1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
CCOc1ccc(CN(C(=O)Cc2coc3ccc4ccccc4c23)[C@H]2CCS(=O)(=O)C2)cc1 CCOc1ccc(cc1)[*:1] O=C(Cc1coc2ccc3ccccc3c12)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
CC[C@H](C)NC(=O)CN1C(=O)N=C2C(c3ccc(F)cc3)=CN=C2C1=O CC[C@H](C)[*:1] O=C(CN1C(=O)N=C2C(=CN=C2C1=O)c1ccc(F)cc1)N[*:1]
CC[C@H](C)NC(=O)CN1C(=O)N=C2C(c3ccc(F)cc3)=CN=C2C1=O Fc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)CN1C(=O)N=C2C(=CN=C2C1=O)[*:1]
CC[C@H](C)NC(=O)CN1C(=O)N=C2C(c3ccc(F)cc3)=CN=C2C1=O CC[C@H](C)NC(=O)C[*:1] O=C1N=C2C(=CN=C2C(=O)N1[*:1])c1ccc(F)cc1
CC[C@H](C)NC(=O)CN1C(=O)N=C2C(c3ccc(F)cc3)=CN=C2C1=O CC[C@H](C)NC(=O)[*:1] O=C1N=C2C(=CN=C2C(=O)N1C[*:1])c1ccc(F)cc1
Nn1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O C1CCC(C1)[*:1] Nn1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H](C)CCC(C)C)CC1=O CC(C)CC[C@@H](C)[*:1] COc1ccc(C)cc1N1C[C@@H](CC1=O)C(=O)N[*:1]
COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H](C)CCC(C)C)CC1=O CC(C)CC[*:1] COc1ccc(C)cc1N1C[C@@H](CC1=O)C(=O)N[C@H](C)[*:1]
COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H](C)CCC(C)C)CC1=O CC(C)[*:1] COc1ccc(C)cc1N1C[C@@H](CC1=O)C(=O)N[C@H](C)CC[*:1]
COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H](C)CCC(C)C)CC1=O CC(C)C[*:1] COc1ccc(C)cc1N1C[C@@H](CC1=O)C(=O)N[C@H](C)C[*:1]
O=C1NCCc2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C3CC3)cc21 c1ccc(cc1)C[*:1] O=C1NCCc2ccc(cc21)S(=O)(=O)N[C@@H](C1CC1)[*:1]
O=C1NCCc2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C3CC3)cc21 C1CC1[*:1] O=C1NCCc2ccc(cc21)S(=O)(=O)N[C@@H](Cc1ccccc1)[*:1]
O=C1NCCc2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C3CC3)cc21 c1ccc(cc1)[*:1] O=C1NCCc2ccc(cc21)S(=O)(=O)N[C@@H](C[*:1])C1CC1
Cc1cn2nc(NC[C@@H]3CCN(c4ccccc4)C3)sc2n1 c1ccc(cc1)[*:1] Cc1cn2nc(NC[C@@H]3CCN(C3)[*:1])sc2n1
CN(C)C(=O)c1ccc(F)c(NC(=O)NCC(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)NC[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)NCC(=O)N2CCCCC2)c1 CN(C)C(=O)[*:1] O=C(NCC(=O)N1CCCCC1)Nc1cc(ccc1F)[*:1]
Cc1cccnc1Nc1ncnc(Nc2cc(Cl)ccc2Cl)c1N Cc1cccnc1N[*:1] Nc1c(ncnc1[*:1])Nc1cc(Cl)ccc1Cl
Cc1cccnc1Nc1ncnc(Nc2cc(Cl)ccc2Cl)c1N Clc1ccc(Cl)c(c1)[*:1] Cc1cccnc1Nc1ncnc(N[*:1])c1N
Cc1cccnc1Nc1ncnc(Nc2cc(Cl)ccc2Cl)c1N Cc1cccnc1[*:1] Nc1c(ncnc1N[*:1])Nc1cc(Cl)ccc1Cl
Cc1ccccc1NC(=O)NNC(=O)NCCCc1c(C)noc1C Cc1noc(C)c1[*:1] Cc1ccccc1NC(=O)NNC(=O)NCCC[*:1]
Cc1ccccc1NC(=O)NNC(=O)NCCCc1c(C)noc1C Cc1noc(C)c1C[*:1] Cc1ccccc1NC(=O)NNC(=O)NCC[*:1]
Cc1ccccc1NC(=O)NNC(=O)NCCCc1c(C)noc1C Cc1ccccc1[*:1] Cc1noc(C)c1CCCNC(=O)NNC(=O)N[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C/c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C=C[*:1]
COc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2cccnc2)cc1OC c1cncc(c1)C[*:1] COc1ccc(cc1OC)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccccc1
COc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2cccnc2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)[C@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1ccccc1
COc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2cccnc2)cc1OC COc1ccc(cc1OC)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](N1Cc1cccnc1)[*:1]
COc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2cccnc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1c2c(n[nH]c2C(=O)N1Cc1cccnc1)[*:1]
COc1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 CC(C)C[*:1] COc1cccc(c1)NC(=O)c1ccc(cc1)OC[*:1]
COc1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 CC(C)[*:1] COc1cccc(c1)NC(=O)c1ccc(cc1)OCC[*:1]
COc1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 CC(C)CC[*:1] COc1cccc(c1)NC(=O)c1ccc(cc1)O[*:1]
COc1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 CC(C)CCO[*:1] COc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccccc3)CC1)n2C c1ccc(cc1)[*:1] CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(CC1)C(=O)[*:1])n2C
CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccccc3)CC1)n2C CCCC[*:1] Cn1c(CN2CCN(CC2)C(=O)c2ccccc2)nc2cc(ccc21)NC(=O)[*:1]
CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccccc3)CC1)n2C CCCCC(=O)N[*:1] Cn1c(CN2CCN(CC2)C(=O)c2ccccc2)nc2cc(ccc21)[*:1]
CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccccc3)CC1)n2C CCC[*:1] Cn1c(CN2CCN(CC2)C(=O)c2ccccc2)nc2cc(ccc21)NC(=O)C[*:1]
COC(=O)c1cccc(C)c1NC(=O)C1C[C@@H](C)O[C@H](C)C1 COC(=O)[*:1] Cc1cccc(c1NC(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1 CCO[*:1] C[C@@H](Sc1nc2ccc(cc2[nH]1)[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1 O=[N+]([O-])c1cccc(c1)[*:1] CCOc1ccc2nc([nH]c2c1)S[C@H](C)C(=O)N[*:1]
CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1 O=[N+]([O-])[*:1] CCOc1ccc2nc([nH]c2c1)S[C@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)no1 Cc1cc(no1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[*:1]
C[C@@H]1CCC[C@H](C(=O)N(CC(=O)N(C)C)c2ccccc2)C1 CN(C)C(=O)[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)N(C[*:1])c1ccccc1
C[C@@H]1CCC[C@H](C(=O)N(CC(=O)N(C)C)c2ccccc2)C1 CN(C)C(=O)C[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)N(c1ccccc1)[*:1]
C[C@@H]1CCC[C@H](C(=O)N(CC(=O)N(C)C)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)N(CC(=O)N(C)C)[*:1]
FC(F)(F)c1ccc(-c2noc(C3CCCCC3)n2)cc1 FC(F)(F)[*:1] c1cc(ccc1-c1noc(n1)C1CCCCC1)[*:1]
FC(F)(F)c1ccc(-c2noc(C3CCCCC3)n2)cc1 C1CCC(CC1)[*:1] FC(F)(F)c1ccc(cc1)-c1noc(n1)[*:1]
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CO)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C O=C([O-])[*:1] C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(CC[C@]4(C)[C@H]3CC[C@@]21C)=N/OCC(=O)N[C@@H](CO)[*:1]
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CO)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C O=C([O-])[C@H](CO)[*:1] C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(CC[C@]4(C)[C@H]3CC[C@@]21C)=N/OCC(=O)N[*:1]
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CO)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C O=C([O-])[C@H](CO)NC(=O)[*:1] C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(CC[C@]4(C)[C@H]3CC[C@@]21C)=N/OC[*:1]
CC(C)[C@H]1CCCN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CC1 CC(C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CCC[C@@H](CC1)[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COCC1CC1 C1CC1[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COC[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COCC1CC1 C1CC1COC[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COCC1CC1 C1CC1CO[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COCC1CC1 C1CC1C[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CO[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COCC1CC1 NC(=O)[*:1] O=C(COCC1CC1)N1Cc2ccccc2C[C@H]1[*:1]
CCN(C)c1cccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)c1 CCN(C)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1)C(=O)Nc1cccc(c1)[*:1]
CCN(C)c1cccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] CCN(C)c1cccc(c1)NC(=O)C(=O)NCC1(CC1)[*:1]
COC(=O)[C@H](NC(=O)c1ccc(N2CCCCCC2)nc1)C(C)C C1CCCN(CC1)[*:1] COC(=O)[C@H](NC(=O)c1ccc(nc1)[*:1])C(C)C
COC(=O)[C@H](NC(=O)c1ccc(N2CCCCCC2)nc1)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)c1ccc(nc1)N1CCCCCC1)[*:1]
COC(=O)[C@H](NC(=O)c1ccc(N2CCCCCC2)nc1)C(C)C COC(=O)[C@H](C(C)C)[*:1] O=C(N[*:1])c1ccc(nc1)N1CCCCCC1
COC(=O)[C@H](NC(=O)c1ccc(N2CCCCCC2)nc1)C(C)C COC(=O)[*:1] CC(C)[C@@H](NC(=O)c1ccc(nc1)N1CCCCCC1)[*:1]
C[C@@H]([C@@H](C)[NH2+]CC(=O)N1CCN(c2cnccn2)CC1)n1cccn1 c1cnn(c1)[*:1] C[C@@H]([C@@H](C)[NH2+]CC(=O)N1CCN(CC1)c1cnccn1)[*:1]
C[C@@H]([C@@H](C)[NH2+]CC(=O)N1CCN(c2cnccn2)CC1)n1cccn1 c1cnc(cn1)[*:1] C[C@@H]([C@@H](C)[NH2+]CC(=O)N1CCN(CC1)[*:1])n1cccn1
CC[C@@H](NC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)NC[C@H]1CCN(C1)[*:1])c1nc2ccccc2[nH]1
CC[C@@H](NC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC[C@@H](NC(=O)NC[C@H]1CCN(C1)c1ccccc1)[*:1]
COC(=O)c1c(C(F)(F)F)cnc(Cl)c1Cl COC(=O)[*:1] FC(F)(F)c1cnc(Cl)c(Cl)c1[*:1]
COC(=O)c1c(C(F)(F)F)cnc(Cl)c1Cl FC(F)(F)[*:1] COC(=O)c1c(cnc(Cl)c1Cl)[*:1]
O=C1c2ccccc2C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C1c2ccccc2C(=O)N1/N=C/c1ccc(cc1)[*:1]
O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)O[*:1] O=C(NCC1CCN(CC1)C(=O)C[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)OC[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)COc1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)CO[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
CC[NH+](Cc1ccccc1Cl)Cn1nc(-c2ccncc2)n(C2CC2)c1=S Clc1ccccc1C[*:1] CC[NH+](Cn1nc(-c2ccncc2)n(c1=S)C1CC1)[*:1]
CC[NH+](Cc1ccccc1Cl)Cn1nc(-c2ccncc2)n(C2CC2)c1=S C1CC1[*:1] CC[NH+](Cc1ccccc1Cl)Cn1nc(-c2ccncc2)n(c1=S)[*:1]
CC[NH+](Cc1ccccc1Cl)Cn1nc(-c2ccncc2)n(C2CC2)c1=S Clc1ccccc1[*:1] CC[NH+](Cn1nc(-c2ccncc2)n(c1=S)C1CC1)C[*:1]
CC[NH+](Cc1ccccc1Cl)Cn1nc(-c2ccncc2)n(C2CC2)c1=S c1cc(ccn1)[*:1] CC[NH+](Cc1ccccc1Cl)Cn1nc(n(c1=S)C1CC1)[*:1]
COCCN1C(=O)c2ccc(C(=O)Nc3cccc(I)c3)cc2C1=O COC[*:1] O=C(Nc1cccc(I)c1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
COCCN1C(=O)c2ccc(C(=O)Nc3cccc(I)c3)cc2C1=O COCC[*:1] O=C(Nc1cccc(I)c1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COCCN1C(=O)c2ccc(C(=O)Nc3cccc(I)c3)cc2C1=O Ic1cccc(c1)[*:1] COCCN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
CS(=O)(=O)CCOCCNc1ncc(Cl)cc1F CS(=O)(=O)[*:1] Fc1cc(Cl)cnc1NCCOCC[*:1]
CS(=O)(=O)CCOCCNc1ncc(Cl)cc1F CS(=O)(=O)CC[*:1] Fc1cc(Cl)cnc1NCCO[*:1]
CS(=O)(=O)CCOCCNc1ncc(Cl)cc1F CS(=O)(=O)C[*:1] Fc1cc(Cl)cnc1NCCOC[*:1]
CCc1ccc(C2=CCN(C(=O)C(C)(C)NC(=O)OC)CC2)cc1 COC(=O)NC(C)(C)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)[*:1]
CCc1ccc(C2=CCN(C(=O)C(C)(C)NC(=O)OC)CC2)cc1 COC(=O)N[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)C(C)(C)[*:1]
CCc1ccc(C2=CCN(C(=O)C(C)(C)NC(=O)OC)CC2)cc1 CCc1ccc(cc1)[*:1] COC(=O)NC(C)(C)C(=O)N1CC=C(CC1)[*:1]
CCC[NH2+][C@H]1CCC[C@@H]1Sc1cc2ccccc2[nH]1 CCC[*:1] c1ccc2[nH]c(cc2c1)S[C@H]1CCC[C@@H]1[NH2+][*:1]
O=[S@](Cc1nnc(Cc2ccccc2)o1)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=[S@](Cc1nnc(C[*:1])o1)c1ccc2ccccc2c1
O=[S@](Cc1nnc(Cc2ccccc2)o1)c1ccc2ccccc2c1 c1ccc(cc1)C[*:1] O=[S@](Cc1nnc(o1)[*:1])c1ccc2ccccc2c1
C[C@@H]1C[C@@H]1C(=O)N1CCN(CCN2CCCC2=O)CC1 O=C1CCCN1[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)CC[*:1]
COCCN(CC(C)C)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] COCCN(CC(C)C)C(=O)N[*:1]
COCCN(CC(C)C)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COCCN(CC(C)C)C(=O)NC[*:1]
COCCN(CC(C)C)C(=O)NC[C@H]1CCCO1 COC[*:1] CC(C)CN(C[*:1])C(=O)NC[C@H]1CCCO1
COCCN(CC(C)C)C(=O)NC[C@H]1CCCO1 COCC[*:1] CC(C)CN(C(=O)NC[C@H]1CCCO1)[*:1]
COCCN(CC(C)C)C(=O)NC[C@H]1CCCO1 CC(C)C[*:1] COCCN(C(=O)NC[C@H]1CCCO1)[*:1]
COCCN(CC(C)C)C(=O)NC[C@H]1CCCO1 CC(C)[*:1] COCCN(C[*:1])C(=O)NC[C@H]1CCCO1
C[C@@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(cc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1F C1CN(CCO1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)NC[C@@H](C(C)C)[*:1]
Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1F Cc1ccc(cc1F)[*:1] CC(C)[C@H](CNC(=O)N[C@H](C)[*:1])N1CCOCC1
Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)NC[C@@H](N1CCOCC1)[*:1]
COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1cnn(c1)[*:1]
COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1cnn(-c2ccccc2)c1 COC(=O)[*:1] O=C(Cc1cnn(c1)-c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@@H]1[*:1]
Cc1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)sc1Br C1CCC(CC1)[*:1] Cc1cc(C[NH+]2CCC(CC2)NC(=O)[*:1])sc1Br
Cc1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)sc1Br Cc1cc(sc1Br)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])C1CCCCC1
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1F)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1F)[*:1]
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1F)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1F)[*:1]
CC(C)N(C(=O)CC1CCC(c2ccccc2)CC1)C1CCOCC1 C1CC(CCO1)[*:1] CC(C)N(C(=O)CC1CCC(CC1)c1ccccc1)[*:1]
CC(C)N(C(=O)CC1CCC(c2ccccc2)CC1)C1CCOCC1 c1ccc(cc1)[*:1] CC(C)N(C(=O)CC1CCC(CC1)[*:1])C1CCOCC1
CC(C)N(C(=O)CC1CCC(c2ccccc2)CC1)C1CCOCC1 CC(C)[*:1] O=C(CC1CCC(CC1)c1ccccc1)N(C1CCOCC1)[*:1]
CO[C@@H](C)C(=O)NNC(=O)c1ccc(F)cc1Br CO[C@@H](C)[*:1] O=C(NNC(=O)[*:1])c1ccc(F)cc1Br
CNC(=O)NCC(=O)N[C@H]1CCc2ccc(F)cc21 CNC(=O)NC[*:1] O=C(N[C@H]1CCc2ccc(F)cc21)[*:1]
CNC(=O)NCC(=O)N[C@H]1CCc2ccc(F)cc21 CNC(=O)N[*:1] O=C(C[*:1])N[C@H]1CCc2ccc(F)cc21
Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(c2cc(Cl)ncn2)CC1 Clc1cc(ncn1)[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(CC1)[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(c2cc(Cl)ncn2)CC1 Cc1cccc(C)c1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)c1cc(Cl)ncn1
Cc1cc(NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])NCc1cccc(c1)C(=O)NC[C@H]1CCCO1
Cc1cc(NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)ncc1[N+](=O)[O-] O=C(NC[C@H]1CCCO1)[*:1] Cc1cc(ncc1[N+](=O)[O-])NCc1cccc(c1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)CCSc2ccc(F)cc2)CC1 Fc1ccc(cc1)S[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)CC[*:1]
CCOC(=O)C1(C)CCN(C(=O)CCSc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)CCS[*:1]
CCOC(=O)C1(C)CCN(C(=O)CCSc2ccc(F)cc2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)CCSc1ccc(F)cc1)[*:1]
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 CC(C)[*:1] CC(=C/c1ccc(cc1)[*:1])/C=N/NC(=O)C(=O)Nc1cccc(c1)[N+](=O)[O-]
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=C/c1ccc(cc1)C(C)C)/C=N/NC(=O)C(=O)Nc1cccc(c1)[*:1]
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 CC(C)c1ccc(cc1)[*:1] CC(=C[*:1])/C=N/NC(=O)C(=O)Nc1cccc(c1)[N+](=O)[O-]
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC(=C/c1ccc(cc1)C(C)C)/C=N/NC(=O)C(=O)N[*:1]
COc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)ccc1C C1CN(CCO1)[*:1] COc1cc(ccc1C)C(=O)Nc1ccc(nc1)[*:1]
CCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NCc1ccc(C)o1 Cc1ccc(o1)[*:1] CCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NC[*:1]
CCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NCc1ccc(C)o1 Cc1ccc(C[*:1])o1 CCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)N[*:1]
CCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NCc1ccc(C)o1 CCC[*:1] Cc1ccc(CNC(=O)[C@H]2c3ccccc3CC(=O)N2[*:1])o1
Cc1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CCO[C@H](C1)c1ccc(F)cc1
Cc1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCO[C@@H](C1)[*:1]
Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CC(=O)Nc2ccccc21 O=[N+]([O-])[*:1] Cc1ccc(cc1OC(=O)[C@H]1CC(=O)Nc2ccccc21)[*:1]
NC(=O)c1ccc(NC(=O)c2scnc2C2CC2)c(F)c1 NC(=O)[*:1] O=C(Nc1ccc(cc1F)[*:1])c1scnc1C1CC1
NC(=O)c1ccc(NC(=O)c2scnc2C2CC2)c(F)c1 C1CC1[*:1] NC(=O)c1ccc(NC(=O)c2scnc2[*:1])c(F)c1
C[C@H](N[C@H](C)c1nc2ccc(Cl)cc2n1C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](N[C@H](C)c1nc2ccc(Cl)cc2n1C)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)NCc1ccc2c(c1)CCC2 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)NCc1ccc2CCCc2c1
CC(=O)N(CCc1ccccc1)CC(=O)NCc1ccc2c(c1)CCC2 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)NCc1ccc2CCCc2c1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)NCc1ccc2c(c1)CCC2 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)NCc1ccc2CCCc2c1)C[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)N(C)[C@H](C)C(C)(C)C C[C@H](C(C)(C)C)[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)N(C)[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)N(C)[C@H](C)C(C)(C)C CC(C)(C)[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)N(C)[C@H](C)[*:1]
O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1cccc(c1)[*:1]
COc1cccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)c1 COc1cccc(c1)[*:1] O=c1c(=C[*:1])sc2nc(nn12)-c1cccc(Cl)c1
COc1cccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)c1 Clc1cccc(c1)[*:1] COc1cccc(/C=c2\sc3nc(nn3c2=O)[*:1])c1
Nc1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)cs1 Nc1nc(cs1)[*:1] Clc1ccc(-c2ccc(o2)[*:1])c(Cl)c1
C[NH2+][C@H](CSc1ccccc1C)c1ccc(Cl)c(OC)c1 Cc1ccccc1[*:1] C[NH2+][C@H](CS[*:1])c1ccc(Cl)c(c1)OC
Cc1cccc(Oc2nc(C(F)(F)F)nc3ccccc23)c1 FC(F)(F)[*:1] Cc1cccc(c1)Oc1nc(nc2ccccc12)[*:1]
Cc1cccc(Oc2nc(C(F)(F)F)nc3ccccc23)c1 Cc1cccc(c1)[*:1] FC(F)(F)c1nc(O[*:1])c2ccccc2n1
CCN(C[C@@H]1CCOC1)C(=O)Nc1cccc(-c2ccsc2)c1 c1cc(cs1)[*:1] CCN(C[C@@H]1CCOC1)C(=O)Nc1cccc(c1)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)Nc1cccc(-c2ccsc2)c1 C1C[C@H](CO1)C[*:1] CCN(C(=O)Nc1cccc(c1)-c1ccsc1)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@H](C)c2ccc3ccccc3c2)c1 CC(=O)N[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])c1ccc2ccccc2c1
Cc1cc(-c2cnc(NCc3ccncc3)nc2-c2ccc(C)o2)on1 c1cc(ccn1)C[*:1] Cc1cc(on1)-c1cnc(nc1-c1ccc(C)o1)N[*:1]
Cc1cc(-c2cnc(NCc3ccncc3)nc2-c2ccc(C)o2)on1 c1cc(ccn1)CN[*:1] Cc1cc(on1)-c1cnc(nc1-c1ccc(C)o1)[*:1]
Cc1cc(-c2cnc(NCc3ccncc3)nc2-c2ccc(C)o2)on1 Cc1ccc(o1)[*:1] Cc1cc(on1)-c1cnc(nc1[*:1])NCc1ccncc1
Cc1cc(-c2cnc(NCc3ccncc3)nc2-c2ccc(C)o2)on1 Cc1cc(on1)[*:1] Cc1ccc(o1)-c1nc(ncc1[*:1])NCc1ccncc1
Cc1cc(-c2cnc(NCc3ccncc3)nc2-c2ccc(C)o2)on1 c1cc(ccn1)[*:1] Cc1cc(on1)-c1cnc(nc1-c1ccc(C)o1)NC[*:1]
O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)c1ccc(cc1)[*:1]
O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc(N2CCCC2=O)cc1 C1CC1[*:1] O=C(Nc1ccc2nc(oc2c1)[*:1])c1ccc(cc1)N1CCCC1=O
CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(c1cccnc1)N1CCc2cc(ccc21)NS(=O)(=O)[*:1]
CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1 c1cncc(c1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[*:1]
CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1 CC(C)[*:1] O=C(c1cccnc1)N1CCc2cc(ccc21)NS(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(CNC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CNC(=O)c1ccc(cc1)NC(=O)N1CCSc2ncccc21
CCOc1ccc(CNC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)cc1OC CCOc1ccc(cc1OC)[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)N1CCSc2ncccc21
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(Cl)cc4s3)[C@H]2c2ccccc2F)s1 Fc1ccccc1[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(Cl)cc4s3)[C@H]2c2ccccc2F)s1 Clc1ccc2nc(sc2c1)[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1F)[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(Cl)cc4s3)[C@H]2c2ccccc2F)s1 Cc1nc(C)c(s1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2ccccc2F)N1c1nc2ccc(Cl)cc2s1)[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(Cl)cc4s3)[C@H]2c2ccccc2F)s1 Cc1nc(C)c(s1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2F)N1c1nc2ccc(Cl)cc2s1
Cc1cc2c(N3CC[C@H](NS(C)(=O)=O)C3)ncnc2s1 CS(=O)(=O)N[*:1] Cc1cc2c(ncnc2s1)N1CC[C@H](C1)[*:1]
Cc1cccc(C)c1-n1nnnc1CSCc1ncc(-c2ccccc2)o1 Cc1cccc(C)c1[*:1] c1ccc(cc1)-c1cnc(CSCc2nnnn2[*:1])o1
Cc1cccc(C)c1-n1nnnc1CSCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1cccc(C)c1-n1nnnc1CSCc1ncc(o1)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2nnc3n2CCC3)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)NCc1nnc2CCCn21)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2nnc3n2CCC3)C(C)C)cc1 C1Cc2nnc(n2C1)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)NC[*:1])C(C)C
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2nnc3n2CCC3)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NCc1nnc2CCCn21
CC[C@@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O c1csc(c1)[*:1] CC[C@@H]1Oc2ccc(cc2CN(Cc2cccc(c2)C(F)(F)F)C1=O)NC(=O)C[*:1]
CC[C@@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O FC(F)(F)[*:1] CC[C@@H]1Oc2ccc(cc2CN(Cc2cccc(c2)[*:1])C1=O)NC(=O)Cc1cccs1
CC[C@@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O FC(F)(F)c1cccc(c1)C[*:1] CC[C@@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)Cc1cccs1
CC[C@@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O c1csc(c1)C[*:1] CC[C@@H]1Oc2ccc(cc2CN(Cc2cccc(c2)C(F)(F)F)C1=O)NC(=O)[*:1]
CC[C@@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O FC(F)(F)c1cccc(c1)[*:1] CC[C@@H]1Oc2ccc(cc2CN(C[*:1])C1=O)NC(=O)Cc1cccs1
CC[C@@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O O=C(Cc1cccs1)N[*:1] CC[C@@H]1Oc2ccc(cc2CN(Cc2cccc(c2)C(F)(F)F)C1=O)[*:1]
COC(=O)CNC(=O)[C@@H]1COc2ccc(NC(=O)c3cccc(Cl)c3)cc2C1 COC(=O)C[*:1] O=C(Nc1ccc2OC[C@H](Cc2c1)C(=O)N[*:1])c1cccc(Cl)c1
COC(=O)CNC(=O)[C@@H]1COc2ccc(NC(=O)c3cccc(Cl)c3)cc2C1 COC(=O)CNC(=O)[*:1] O=C(Nc1ccc2OC[C@H](Cc2c1)[*:1])c1cccc(Cl)c1
COC(=O)CNC(=O)[C@@H]1COc2ccc(NC(=O)c3cccc(Cl)c3)cc2C1 COC(=O)[*:1] O=C(Nc1ccc2OC[C@H](Cc2c1)C(=O)NC[*:1])c1cccc(Cl)c1
COC(=O)CNC(=O)[C@@H]1COc2ccc(NC(=O)c3cccc(Cl)c3)cc2C1 Clc1cccc(c1)[*:1] COC(=O)CNC(=O)[C@@H]1COc2ccc(cc2C1)NC(=O)[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)N(C)Cc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N(C)C[*:1]
COC(=O)c1ccccc1C(=O)N(C)[C@H](C)Cc1cc(C)ccn1 Cc1ccnc(c1)[*:1] COC(=O)c1ccccc1C(=O)N(C)[C@H](C)C[*:1]
COC(=O)c1ccccc1C(=O)N(C)[C@H](C)Cc1cc(C)ccn1 COC(=O)[*:1] Cc1ccnc(c1)C[C@@H](C)N(C)C(=O)c1ccccc1[*:1]
COC(=O)c1ccccc1C(=O)N(C)[C@H](C)Cc1cc(C)ccn1 Cc1ccnc(c1)C[*:1] COC(=O)c1ccccc1C(=O)N(C)[C@H](C)[*:1]
C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccc(cc1)[*:1]
C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1)c1ccoc1 c1cc(co1)[*:1] C[C@@H](Nc1ccc(cc1)C(=O)NC1CC1)[*:1]
C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1)c1ccoc1 O=C(NC1CC1)[*:1] C[C@@H](Nc1ccc(cc1)[*:1])c1ccoc1
C[C@@H](Nc1ccc(C(=O)NC2CC2)cc1)c1ccoc1 C1CC1[*:1] C[C@@H](Nc1ccc(cc1)C(=O)N[*:1])c1ccoc1
O=C(NCc1cccc(Cl)c1)C(=O)N[C@H]1CCCCNC1=O Clc1cccc(c1)[*:1] O=C(NC[*:1])C(=O)N[C@H]1CCCCNC1=O
Cc1ccccc1C(=O)Nc1ccc2c(C(C)(C)C)cc(=O)[nH]c2c1 CC(C)(C)[*:1] Cc1ccccc1C(=O)Nc1ccc2c(cc(=O)[nH]c2c1)[*:1]
Cc1ccccc1C(=O)Nc1ccc2c(C(C)(C)C)cc(=O)[nH]c2c1 Cc1ccccc1[*:1] CC(C)(C)c1cc(=O)[nH]c2cc(ccc12)NC(=O)[*:1]
c1ccc(-n2ncc(C[NH2+]Cc3ccc(-n4cncn4)cc3)n2)cc1 c1ccc(cc1)[*:1] c1ncn(n1)-c1ccc(cc1)C[NH2+]Cc1cnn(n1)[*:1]
c1ccc(-n2ncc(C[NH2+]Cc3ccc(-n4cncn4)cc3)n2)cc1 c1ncn(n1)[*:1] c1ccc(cc1)-n1ncc(C[NH2+]Cc2ccc(cc2)[*:1])n1
O=C(CC[C@@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(CC[C@@H]1CCCO1)N1CCN(CC1)C[*:1]
Cc1cc(CNS(=O)(=O)CC(C)C)c(C)o1 CC(C)C[*:1] Cc1cc(CNS(=O)(=O)[*:1])c(C)o1
Cc1cc(CNS(=O)(=O)CC(C)C)c(C)o1 CC(C)[*:1] Cc1cc(CNS(=O)(=O)C[*:1])c(C)o1
CC[C@H](C)[C@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@H](Nc1ncnc2scc(-c3ccccc3)c12)[*:1]
CC[C@H](C)[C@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)[O-] c1ccc(cc1)[*:1] CC[C@H](C)[C@H](Nc1ncnc2scc(c12)[*:1])C(=O)[O-]
CC[C@H](C)[C@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)[O-] CC[C@H](C)[*:1] O=C([O-])[C@@H](Nc1ncnc2scc(-c3ccccc3)c12)[*:1]
Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3cncc(C)c3)C2)cc1 Cc1cncc(c1)[*:1] Cc1ccc(cc1)-c1cn[nH]c1[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3cncc(C)c3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1cncc(c1)C(=O)N1CCC[C@@H](C1)c1[nH]ncc1[*:1]
Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CCN(Cc1ccc(F)cc1)C2 Fc1ccc(cc1)C[*:1] Cc1c(nnn1-c1cccc2CN(CCc21)[*:1])C(=O)N1CCOC[C@H]1C
Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CCN(Cc1ccc(F)cc1)C2 Fc1ccc(cc1)[*:1] Cc1c(nnn1-c1cccc2CN(CCc21)C[*:1])C(=O)N1CCOC[C@H]1C
CC(C)(C)C[C@@H](CO)NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)(C)C[C@@H](CO)NC(=O)C(=O)Nc1cnc(s1)[*:1]
CC(C)(C)C[C@@H](CO)NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 CC(C)(C)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)C(=O)N[C@H](CO)C[*:1]
CC(C)(C)C[C@@H](CO)NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 CC(C)(C)C[*:1] O=C(Nc1cnc(s1)-c1ccccc1)C(=O)N[C@H](CO)[*:1]
Cn1cccc1[C@@H](CNC(=O)COc1ccccc1F)[NH+]1CCCCCC1 Fc1ccccc1OC[*:1] Cn1cccc1[C@@H](CNC(=O)[*:1])[NH+]1CCCCCC1
Cn1cccc1[C@@H](CNC(=O)COc1ccccc1F)[NH+]1CCCCCC1 Fc1ccccc1O[*:1] Cn1cccc1[C@@H](CNC(=O)C[*:1])[NH+]1CCCCCC1
Cn1cccc1[C@@H](CNC(=O)COc1ccccc1F)[NH+]1CCCCCC1 Fc1ccccc1[*:1] Cn1cccc1[C@@H](CNC(=O)CO[*:1])[NH+]1CCCCCC1
Cn1cccc1[C@@H](CNC(=O)COc1ccccc1F)[NH+]1CCCCCC1 Cn1cccc1[*:1] O=C(COc1ccccc1F)NC[C@@H]([NH+]1CCCCCC1)[*:1]
CN(C[C@H](O)CN1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CN(C[C@H](O)CN1CC[NH+](C)CC1)C(=O)Nc1ccc(cc1Cl)[*:1]
Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@H]4C)[nH]c(=O)c32)c1 Cc1cccc(c1)NC(=O)[*:1] C[C@H]1CCC[C@@H](C)N1c1nc2NC(=O)C[C@@H](c2c(=O)[nH]1)[*:1]
Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@H]4C)[nH]c(=O)c32)c1 Cc1cccc(c1)[*:1] C[C@H]1CCC[C@@H](C)N1c1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1 NC(=O)[*:1] O=C(Cn1nc2ccccc2n1)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1 NC(=O)C[*:1] O=C(Cn1nc2ccccc2n1)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1 c1ccc2nn(nc2c1)[*:1] NC(=O)Cn1cc[nH+]c1[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1cccc(CNC(=O)[C@@H]2SCCc3ccccc32)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])[C@@H]1SCCc2ccccc21
Cc1noc(C2CN(C(=O)Nc3ccc4c(c3)OCO4)C2)n1 Cc1noc(n1)[*:1] O=C(Nc1ccc2OCOc2c1)N1CC(C1)[*:1]
C[C@@H](C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)S(C)(=O)=O c1ccc(cc1)C[*:1] C[C@@H](C(=O)N1CCCN(CC1)C(=O)C[*:1])S(C)(=O)=O
C[C@@H](C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](C(=O)N1CCCN(CC1)C(=O)CCc1ccccc1)[*:1]
C[C@@H](C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)S(C)(=O)=O c1ccc(cc1)CC[*:1] C[C@@H](C(=O)N1CCCN(CC1)C(=O)[*:1])S(C)(=O)=O
C[C@@H](C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)S(C)(=O)=O c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCCN(CC1)C(=O)CC[*:1])S(C)(=O)=O
C[C@H](c1cccnc1)N(C)Cc1c(F)cccc1Br c1cncc(c1)[*:1] C[C@H](N(C)Cc1c(F)cccc1Br)[*:1]
CCN1C[C@@H](C(=O)NCc2ccccc2OCc2ccccc2)CC1=O c1ccc(cc1)[*:1] CCN1C[C@H](CC1=O)C(=O)NCc1ccccc1OC[*:1]
CCN1C[C@@H](C(=O)NCc2ccccc2OCc2ccccc2)CC1=O c1ccc(cc1)C[*:1] CCN1C[C@H](CC1=O)C(=O)NCc1ccccc1O[*:1]
CCN1C[C@@H](C(=O)NCc2ccccc2OCc2ccccc2)CC1=O c1ccc(cc1)CO[*:1] CCN1C[C@H](CC1=O)C(=O)NCc1ccccc1[*:1]
O=C(Cn1nc2n(c1=O)-c1ccccc1C1=[NH+]CCCN12)NCc1ccccc1F Fc1ccccc1C[*:1] O=C(Cn1nc2N3CCC[NH+]=C3c3ccccc3-n2c1=O)N[*:1]
O=C(Cn1nc2n(c1=O)-c1ccccc1C1=[NH+]CCCN12)NCc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1nc2N3CCC[NH+]=C3c3ccccc3-n2c1=O)NC[*:1]
C[C@H]1C[C@H]1c1ccc(CN(C(=O)Cc2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)o1 c1ccc2c(cccc2c1)[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)C[*:1])[C@@H]2CCS(=O)(=O)C2)o1
C[C@H]1C[C@H]1c1ccc(CN(C(=O)Cc2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)o1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)Cc2cccc3ccccc23)[*:1])o1
Nc1nonc1Nc1n[nH]nc1-c1ccc(Cl)cc1 Nc1nonc1[*:1] Clc1ccc(cc1)-c1n[nH]nc1N[*:1]
CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)CCCC(=O)[O-] O=C([O-])C[*:1] CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)CC[*:1]
CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)CCCC(=O)[O-] O=C([O-])[*:1] CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)CCC[*:1]
CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)CCCC(=O)[O-] O=C([O-])CCC[*:1] CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)[*:1]
CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)CCCC(=O)[O-] O=C([O-])CC[*:1] CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)C[*:1]
O=C(c1ccccc1F)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 Fc1ccccc1[*:1] O=C([C@@H]1CC=CCC1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1
Cc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)nc(C(C)C)n1 Fc1ccc(cc1)[*:1] Cc1cc(nc(n1)C(C)C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1[*:1]
CC(C)n1ccc(C#CC(=O)[O-])n1 CC(C)[*:1] O=C([O-])C#Cc1ccn(n1)[*:1]
CC(C)n1ccc(C#CC(=O)[O-])n1 O=C([O-])[*:1] CC(C)n1ccc(C#C[*:1])n1
NNc1cccc(CSc2ncn[nH]2)n1 c1n[nH]c(n1)[*:1] NNc1cccc(CS[*:1])n1
O=C(c1ccc(Cl)cc1Cl)N(Cc1ccco1)Cc1nc2cc(Cl)ccc2o1 c1coc(c1)[*:1] O=C(c1ccc(Cl)cc1Cl)N(Cc1nc2cc(Cl)ccc2o1)C[*:1]
O=C(c1ccc(Cl)cc1Cl)N(Cc1ccco1)Cc1nc2cc(Cl)ccc2o1 Clc1ccc(c(Cl)c1)[*:1] O=C(N(Cc1ccco1)Cc1nc2cc(Cl)ccc2o1)[*:1]
O=C(c1ccc(Cl)cc1Cl)N(Cc1ccco1)Cc1nc2cc(Cl)ccc2o1 c1coc(c1)C[*:1] O=C(c1ccc(Cl)cc1Cl)N(Cc1nc2cc(Cl)ccc2o1)[*:1]
N#Cc1ccc(/C=C/C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 c1ccc(C[*:1])nc1 N#Cc1ccc(/C=C/C[NH2+]C2CCN(CC2)[*:1])cc1
N#Cc1ccc(/C=C/C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 c1ccc(nc1)[*:1] N#Cc1ccc(/C=C/C[NH2+]C2CCN(CC2)C[*:1])cc1
N#Cc1ccc(/C=C/C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 N#Cc1ccc(cc1)[*:1] C(=C[*:1])C[NH2+]C1CCN(CC1)Cc1ccccn1
C[C@@H]1C[C@@H](NC(=O)Cc2c(F)cccc2F)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1[*:1])NC(=O)Cc1c(F)cccc1F
C[C@@H]1C[C@@H](NC(=O)Cc2c(F)cccc2F)CN1c1ccccc1 Fc1cccc(F)c1[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)C[*:1]
O=C(Cc1c[nH]c2ncccc12)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(Cc1c[nH]c2ncccc12)N1CC=C(CC1)[*:1]
C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O O=C1CCCN1[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O)c1ccc2OCCOc2c1
C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O c1cc2OCCOc2cc1[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)N2CCCC2=O)C1=O)[*:1]
O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1n[nH]c2ccccc12 O=C(NC1CC1)[*:1] O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1[*:1]
O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1n[nH]c2ccccc12 C1CC1[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1n[nH]c2ccccc12
CCc1nn(C)c(OC)c1CNC(=O)Cc1c(C)noc1Cl Cc1noc(Cl)c1[*:1] CCc1nn(C)c(OC)c1CNC(=O)C[*:1]
Cc1ccccc1C(=O)N1CCN(c2cccc(C)c2C)CC1 Cc1ccccc1[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)[*:1]
C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CN(CC[C@@H]1[*:1])C(=O)NCc1ccc(C#N)cc1F
Fc1ccc(C[C@@H](C[NH2+]C2CC2)c2ccccc2Br)cc1 Brc1ccccc1[*:1] Fc1ccc(cc1)C[C@@H](C[NH2+]C1CC1)[*:1]
Fc1ccc(C[C@@H](C[NH2+]C2CC2)c2ccccc2Br)cc1 Fc1ccc(cc1)[*:1] Brc1ccccc1[C@H](C[NH2+]C1CC1)C[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NC[C@@H]1COCCO1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)NC[C@@H]1COCCO1)[*:1]
NC(=O)[C@H]1Cc2ccccc2CN1C(=O)COc1ccc(Cl)cc1 NC(=O)[*:1] O=C(COc1ccc(Cl)cc1)N1Cc2ccccc2C[C@@H]1[*:1]
NC(=O)[C@H]1Cc2ccccc2CN1C(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CO[*:1]
NC(=O)[C@H]1Cc2ccccc2CN1C(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] NC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[*:1]
O=C(CC1=c2ccccc2=[NH+]C1)OCc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(CC1C[NH+]=c2ccccc2=1)OCc1nnc(o1)[*:1]
CC(C)c1ccccc1NC(=S)NC(=O)c1cccc(F)c1 CC(C)[*:1] O=C(NC(=S)Nc1ccccc1[*:1])c1cccc(F)c1
CC(C)c1ccccc1NC(=S)NC(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)c1ccccc1NC(=S)NC(=O)[*:1]
C[C@H]([NH2+]Cc1ccccc1F)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+]Cc1ccccc1F)[*:1]
CCCS(=O)(=O)CCOc1ccccc1C(C)=O CCC[*:1] CC(=O)c1ccccc1OCCS(=O)(=O)[*:1]
CCCS(=O)(=O)CCOc1ccccc1C(C)=O CCCS(=O)(=O)[*:1] CC(=O)c1ccccc1OCC[*:1]
CCCS(=O)(=O)CCOc1ccccc1C(C)=O CC(=O)[*:1] CCCS(=O)(=O)CCOc1ccccc1[*:1]
Cc1ccc(N2CCOC2=O)cc1NC(=O)c1oc2ccccc2c1C O=C1OCCN1[*:1] Cc1ccc(cc1NC(=O)c1oc2ccccc2c1C)[*:1]
C=CCCC[C@H](O)[C@](C)(CC)[NH+]1CCCCC1 C=CC[*:1] CC[C@@](C)([C@@H](O)CC[*:1])[NH+]1CCCCC1
C=CCCC[C@H](O)[C@](C)(CC)[NH+]1CCCCC1 C=CCCC[*:1] CC[C@@](C)([C@@H](O)[*:1])[NH+]1CCCCC1
C=CCCC[C@H](O)[C@](C)(CC)[NH+]1CCCCC1 C=CCC[*:1] CC[C@@](C)([C@@H](O)C[*:1])[NH+]1CCCCC1
CC(C)CNC(=O)NC(=O)[C@@H](C)Nc1cccc(CO)c1 CC(C)[*:1] C[C@@H](Nc1cccc(c1)CO)C(=O)NC(=O)NC[*:1]
CC(C)CNC(=O)NC(=O)[C@@H](C)Nc1cccc(CO)c1 CC(C)C[*:1] C[C@@H](Nc1cccc(c1)CO)C(=O)NC(=O)N[*:1]
CC(=O)c1ccc(NC(=O)NCC[C@H](C)[S@](C)=O)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NCC[C@H](C)[S@](C)=O
Cc1cc(C)cc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)C(=O)Nc1ccc(Cl)cc1[*:1]
CCN(C(=O)c1cc(OC)c(OC)cc1C)C1CC1 C1CC1[*:1] CCN(C(=O)c1cc(OC)c(cc1C)OC)[*:1]
O=C(CSC1CCCCC1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CSC1CCCCC1)N[*:1]
Cc1ccncc1NC(=O)NCCCC[NH+]1CCC(C)CC1 Cc1ccncc1[*:1] CC1CC[NH+](CCCCNC(=O)N[*:1])CC1
COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCCCC1)[C@@H](c1ccccc1F)N(C)C2=O O=C(N1CCCCCC1)[*:1] COc1cc2C(=O)N(C)[C@H](c3ccccc3F)[C@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCCCC1)[C@@H](c1ccccc1F)N(C)C2=O Fc1ccccc1[*:1] COc1cc2C(=O)N(C)[C@H]([C@H](C(=O)N3CCCCCC3)c2cc1OC)[*:1]
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc2c(s1)CC[C@H](C)C2 Fc1cccc(F)c1[*:1] CCN(CC(=O)N[*:1])C(=O)c1cc2C[C@@H](C)CCc2s1
CCC[C@H](O)c1ccc(OC)c(OC)c1 CCC[C@H](O)[*:1] COc1ccc(cc1OC)[*:1]
CCC[C@H](O)c1ccc(OC)c(OC)c1 CCC[*:1] COc1ccc(cc1OC)[C@@H](O)[*:1]
O=C1[C@H](/N=C/c2cc(Cl)ccc2O)CCN1c1c(F)cccc1F Oc1ccc(Cl)cc1[*:1] O=C1[C@@H](CCN1c1c(F)cccc1F)N=C[*:1]
O=C1[C@H](/N=C/c2cc(Cl)ccc2O)CCN1c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C1[C@@H](CCN1[*:1])/N=C/c1cc(Cl)ccc1O
CCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)NC(=O)c1ccc(=O)n(c1)Cc1ccc(cc1)[*:1]
CCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)cc1 CCc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(=O)n(c1)Cc1ccc(cc1)C(F)(F)F
CC1(C)Cc2cccc(OCC(=O)Nc3nnc(C4CC4)s3)c2O1 C1CC1c1nnc(s1)[*:1] CC1(C)Cc2cccc(OCC(=O)N[*:1])c2O1
CC1(C)Cc2cccc(OCC(=O)Nc3nnc(C4CC4)s3)c2O1 C1CC1[*:1] CC1(C)Cc2cccc(OCC(=O)Nc3nnc(s3)[*:1])c2O1
CC(C)(C)n1cc(CN2CCS(=O)(=O)CC2)c(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] CC(C)(C)n1cc(CN2CCS(=O)(=O)CC2)c(n1)[*:1]
CC(C)(C)n1cc(CN2CCS(=O)(=O)CC2)c(-c2ccccc2Cl)n1 O=S1(=O)CCN(CC1)[*:1] CC(C)(C)n1cc(C[*:1])c(n1)-c1ccccc1Cl
CC(C)(C)n1cc(CN2CCS(=O)(=O)CC2)c(-c2ccccc2Cl)n1 CC(C)(C)[*:1] O=S1(=O)CCN(CC1)Cc1cn(nc1-c1ccccc1Cl)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N[C@H](C)c2nnc3ccccn23)c1 CC(=O)N(C)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)[*:1])c1nnc2ccccn12
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C)ccc1F COC(=O)[*:1] Cc1ccc(F)c(c1)NC(=O)N[C@H]1CCC[C@H]1[*:1]
O=C(Nc1ccc(F)c(F)c1)c1ccoc1 c1cc(co1)[*:1] O=C(Nc1ccc(F)c(F)c1)[*:1]
N#Cc1ccc(NCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1ccc(NCC(=O)NC2CCCCC2)c(c1)[*:1]
N#Cc1ccc(NCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 C1CCC(CC1)[*:1] N#Cc1ccc(NCC(=O)N[*:1])c(c1)[N+](=O)[O-]
CC(C)[C@H](C)CNC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 CC(C)[C@H](C)C[*:1] O=C(N[C@H]1C=C[C@H](C1)C(=O)[O-])N[*:1]
CC(C)[C@H](C)CNC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC(C)[C@H](C)CNC(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CC(C)[C@H](C)CNC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 CC(C)[*:1] C[C@H](CNC(=O)N[C@H]1C=C[C@H](C1)C(=O)[O-])[*:1]
CC(C)[C@H](C)CNC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 CC(C)[C@H](C)[*:1] O=C(NC[*:1])N[C@H]1C=C[C@H](C1)C(=O)[O-]
OCCCNc1ncc(-c2nc3ccccc3o2)cn1 OCC[*:1] c1ccc2oc(nc2c1)-c1cnc(nc1)NC[*:1]
OCCCNc1ncc(-c2nc3ccccc3o2)cn1 OCCC[*:1] c1ccc2oc(nc2c1)-c1cnc(nc1)N[*:1]
OCCCNc1ncc(-c2nc3ccccc3o2)cn1 OCCCN[*:1] c1ccc2oc(nc2c1)-c1cnc(nc1)[*:1]
COc1ccc(/C=C/C(=O)N2CCC[C@@H](C(N)=O)C2)cc1OC NC(=O)[*:1] COc1ccc(/C=C/C(=O)N2CCC[C@@H](C2)[*:1])cc1OC
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3-n3cccn3)c1)CCC2 c1cnn(c1)[*:1] O=C([O-])c1cc2CCCc2c(c1)S(=O)(=O)[N-]c1cc(ccc1[*:1])C(F)(F)F
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3-n3cccn3)c1)CCC2 FC(F)(F)[*:1] O=C([O-])c1cc2CCCc2c(c1)S(=O)(=O)[N-]c1cc(ccc1-n1cccn1)[*:1]
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3-n3cccn3)c1)CCC2 O=C([O-])[*:1] O=S(=O)([N-]c1cc(ccc1-n1cccn1)C(F)(F)F)c1cc(cc2CCCc21)[*:1]
COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(Cl)cc3)n2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(n1)[*:1]
COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(Cl)cc3)n2)c1 COc1cccc(c1)[*:1] Cc1nn(-c2nncc(n2)-c2ccc(Cl)cc2)c2NC(=O)C[C@H](c12)[*:1]
CCOc1ccc(NC(=O)Cn2cnc3c(nnn3-c3ccc(F)cc3)c2=O)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)Cn1cnc2c(nnn2[*:1])c1=O
CCOc1ccc(NC(=O)Cn2cnc3c(nnn3-c3ccc(F)cc3)c2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)N[*:1]
CCOc1ccc(NC(=O)Cn2cnc3c(nnn3-c3ccc(F)cc3)c2=O)cc1 CCO[*:1] O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)Nc1ccc(cc1)[*:1]
Cc1n[nH]c(CCC(=O)[O-])c1C O=C([O-])[*:1] Cc1n[nH]c(CC[*:1])c1C
Cc1n[nH]c(CCC(=O)[O-])c1C O=C([O-])C[*:1] Cc1n[nH]c(C[*:1])c1C
Cc1cc(Br)ccc1CC(=O)[O-] O=C([O-])[*:1] Cc1cc(Br)ccc1C[*:1]
Cc1cc(Br)ccc1CC(=O)[O-] O=C([O-])C[*:1] Cc1cc(Br)ccc1[*:1]
CCc1nc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)sc1C Clc1ccc(cc1)[*:1] CCc1nc(NC(=O)CCCNC(=O)[*:1])sc1C
CCc1nc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)sc1C CCc1nc(sc1C)[*:1] O=C(CCCNC(=O)c1ccc(Cl)cc1)N[*:1]
CCOC(=O)C1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1 CCOC(=O)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1 c1ccc(cc1)C[*:1] CCOC(=O)C1CCN(CC1)C(=O)c1c(C)nn(c1Cl)[*:1]
CCOC(=O)C1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)c1c(C)nn(C[*:1])c1Cl
COc1ccc(-c2csc(NC(=O)CSc3nc([O-])cc(=O)[nH]3)n2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1nc(cs1)[*:1]
CCCOc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)cc1 CCC[*:1] O=C(/C=C/c1ccc(cc1)O[*:1])Nc1ccc(F)cc1
CCCOc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCCOc1ccc(/C=C/C(=O)N[*:1])cc1
CCCOc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)cc1 CCCO[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1ccc(F)cc1
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(Cl)c(Cl)c1 O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])NNC(=O)c1ccc(Cl)c(Cl)c1
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)[*:1]
O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cc2ccccc2[nH]1 C1CC1[*:1] O=C(Nc1ccc(Cl)c(c1)C(=O)N[*:1])c1cc2ccccc2[nH]1
O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cc2ccccc2[nH]1 O=C(NC1CC1)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1cc2ccccc2[nH]1
CC(C)CNC(=O)CS(=O)(=O)Cc1nc2ccccc2s1 CC(C)[*:1] O=C(CS(=O)(=O)Cc1nc2ccccc2s1)NC[*:1]
CC(C)CNC(=O)CS(=O)(=O)Cc1nc2ccccc2s1 CC(C)C[*:1] O=C(CS(=O)(=O)Cc1nc2ccccc2s1)N[*:1]
CC(C)CNC(=O)CS(=O)(=O)Cc1nc2ccccc2s1 CC(C)CNC(=O)[*:1] O=S(=O)(Cc1nc2ccccc2s1)C[*:1]
COc1ccc(-n2ncc3c(NCCCn4cc[nH+]c4)ncnc32)cc1 COc1ccc(cc1)[*:1] c1nc(NCCCn2cc[nH+]c2)c2cnn(c2n1)[*:1]
O=C(Nc1cccs1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)cc1 c1csc(c1)[*:1] O=C(N[*:1])N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)cc1
O=C(Nc1cccs1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cccs1)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
Cc1nc2cccnc2n1-c1cccc(C(=O)NCc2cccc(F)c2)c1 Fc1cccc(c1)C[*:1] Cc1nc2cccnc2n1-c1cccc(c1)C(=O)N[*:1]
Cc1nc2cccnc2n1-c1cccc(C(=O)NCc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] Cc1nc2cccnc2n1-c1cccc(c1)C(=O)NC[*:1]
CCOc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc(C(C)=O)c1 CC(=O)[*:1] CCOc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc(c1)[*:1]
CCOc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc(C(C)=O)c1 CCO[*:1] CC(=O)c1cccc(c1)NC(=S)NC(=O)c1cc(Br)ccc1[*:1]
COc1ccc(F)cc1[C@@H](C)NC(=O)N1CC[C@H](C(N)=O)C1 NC(=O)[*:1] COc1ccc(F)cc1[C@@H](C)NC(=O)N1CC[C@H](C1)[*:1]
CNC(=O)C(=O)Nc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] CNC(=O)C(=O)Nc1ccccc1[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC[C@H]1[*:1]
Cc1ccc(CNC(=O)/C(C#N)=C/c2c(C3CC3)nc3sccn23)cc1 Cc1ccc(cc1)C[*:1] N#C/C(=C\c1c(nc2sccn12)C1CC1)C(=O)N[*:1]
Cc1ccc(CNC(=O)/C(C#N)=C/c2c(C3CC3)nc3sccn23)cc1 Cc1ccc(cc1)[*:1] N#C/C(=C\c1c(nc2sccn12)C1CC1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)/C(C#N)=C/c2c(C3CC3)nc3sccn23)cc1 C1CC1[*:1] Cc1ccc(cc1)CNC(=O)/C(C#N)=C/c1c(nc2sccn12)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccc(Br)cc2)cc1 Brc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCCCCC1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccc(Br)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)[*:1])N1CCCCCC1
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCCCCC1)C[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccc(Br)cc2)cc1 O=C(N1CCCCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1)C[*:1]
CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)N[*:1]
CCOC(=O)c1ccc(NC(=O)[C@@H](CC)n2c(=O)cc(C)c3ccccc32)cc1 CCOC(=O)[*:1] CC[C@H](C(=O)Nc1ccc(cc1)[*:1])n1c(=O)cc(C)c2ccccc21
CCC[C@@](C)(C(=O)[O-])[C@H]1CCOC1 CCC[*:1] C[C@@](C(=O)[O-])([C@H]1CCOC1)[*:1]
CCC[C@@](C)(C(=O)[O-])[C@H]1CCOC1 O=C([O-])[*:1] CCC[C@@](C)([C@H]1CCOC1)[*:1]
COc1ccccc1OCC(=O)NCc1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] COc1ccccc1OCC(=O)NC[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C(C)C CC(C)[*:1] Cc1nn(c(C)c1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C(C)C O=S1(=O)CC[C@@H](C1)[*:1] Cc1nn(c(C)c1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C(C)C)[*:1]
COc1ccc(C2=NCC(=O)N(CC(=O)c3ccc(F)cc3)c3sc(C)c(C)c32)cc1OC COc1ccc(cc1OC)[*:1] Cc1sc2c(C(=NCC(=O)N2CC(=O)c2ccc(F)cc2)[*:1])c1C
COc1ccc(C2=NCC(=O)N(CC(=O)c3ccc(F)cc3)c3sc(C)c(C)c32)cc1OC O=C(C[*:1])c1ccc(F)cc1 COc1ccc(cc1OC)C1=NCC(=O)N(c2sc(C)c(C)c21)[*:1]
COc1ccc(C2=NCC(=O)N(CC(=O)c3ccc(F)cc3)c3sc(C)c(C)c32)cc1OC O=C(c1ccc(F)cc1)[*:1] COc1ccc(cc1OC)C1=NCC(=O)N(C[*:1])c2sc(C)c(C)c21
COc1ccc(C2=NCC(=O)N(CC(=O)c3ccc(F)cc3)c3sc(C)c(C)c32)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)C1=NCC(=O)N(CC(=O)[*:1])c2sc(C)c(C)c21
C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1cc(ccc1Cl)[N+](=O)[O-])O[*:1]
C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)Oc1ccccc1 O=[N+]([O-])[*:1] C[C@H](CNC(=O)c1cc(ccc1Cl)[*:1])Oc1ccccc1
C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNC(=O)c1cc(ccc1Cl)[N+](=O)[O-])[*:1]
CCCCC(=O)N1CCn2c1nc1ccccc12 CCCC[*:1] O=C(N1CCn2c1nc1ccccc12)[*:1]
CCCCC(=O)N1CCn2c1nc1ccccc12 CCC[*:1] O=C(C[*:1])N1CCn2c1nc1ccccc12
Cc1nn2c(c1-c1ccc(F)cc1)NC(=O)[C@H]2CC(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1nn2c(NC(=O)[C@H]2CC(=O)N[*:1])c1-c1ccc(F)cc1
Cc1nn2c(c1-c1ccc(F)cc1)NC(=O)[C@H]2CC(=O)Nc1ccc(Br)cc1 Fc1ccc(cc1)[*:1] Cc1nn2c(NC(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)c1[*:1]
Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N(C)Cc2ccccc2)CC1=O c1ccc(cc1)C[*:1] Cc1ccccc1N1C[C@H](CC1=O)c1nc2ccccc2n1CC(=O)N(C)[*:1]
Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N(C)Cc2ccccc2)CC1=O Cc1ccccc1[*:1] CN(Cc1ccccc1)C(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N(C)Cc2ccccc2)CC1=O CN(Cc1ccccc1)C(=O)[*:1] Cc1ccccc1N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N(C)Cc2ccccc2)CC1=O c1ccc(cc1)[*:1] Cc1ccccc1N1C[C@H](CC1=O)c1nc2ccccc2n1CC(=O)N(C)C[*:1]
Cc1ccc(NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1C CS(=O)(=O)C[*:1] Cc1ccc(cc1C)NC(=O)N(C)[C@@H](C)[*:1]
Cc1ccc(NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1C CS(=O)(=O)[*:1] Cc1ccc(cc1C)NC(=O)N(C)[C@@H](C)C[*:1]
CC(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] CC(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1[*:1]
CC(=O)C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Cl)cc1Cl CC(=O)[*:1] O=C1C(O)=C([C@@H](c2ccc(Cl)cc2Cl)N1CCC[NH+]1CCOCC1)[*:1]
CC(C)c1nnsc1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 CC(C)[*:1] C[C@H]1CN(CC[C@@H]1[NH3+])C(=O)c1snnc1[*:1]
C[NH+](CC(=O)NCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 C[NH+](CC(=O)NCc1ccccc1[N+](=O)[O-])[*:1]
C[NH+](CC(=O)NCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 O=[N+]([O-])[*:1] C[NH+](CC(=O)NCc1ccccc1[*:1])Cc1ccc(Cl)s1
C[NH+](CC(=O)NCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[NH+](CC(=O)NCc1ccccc1[N+](=O)[O-])C[*:1]
CC[NH+](CC)[C@H](CNC(=O)Nc1cccnc1)c1ccsc1 c1cncc(c1)[*:1] CC[NH+](CC)[C@H](CNC(=O)N[*:1])c1ccsc1
CC[NH+](CC)[C@H](CNC(=O)Nc1cccnc1)c1ccsc1 c1cc(cs1)[*:1] CC[NH+](CC)[C@H](CNC(=O)Nc1cccnc1)[*:1]
O=C(NCCNc1ncc(Cl)cc1Cl)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(NCCNc1ncc(Cl)cc1Cl)N[*:1]
CC(C)COc1cccc([C@@]2(C)Nc3ccccc3C(=O)N2C(C)C)c1 CC(C)[*:1] CC(C)N1C(=O)c2ccccc2N[C@]1(C)c1cccc(c1)OC[*:1]
CC(C)COc1cccc([C@@]2(C)Nc3ccccc3C(=O)N2C(C)C)c1 CC(C)CO[*:1] CC(C)N1C(=O)c2ccccc2N[C@]1(C)c1cccc(c1)[*:1]
CC(C)COc1cccc([C@@]2(C)Nc3ccccc3C(=O)N2C(C)C)c1 CC(C)[*:1] CC(C)COc1cccc(c1)[C@@]1(C)Nc2ccccc2C(=O)N1[*:1]
CC(C)COc1cccc([C@@]2(C)Nc3ccccc3C(=O)N2C(C)C)c1 CC(C)C[*:1] CC(C)N1C(=O)c2ccccc2N[C@]1(C)c1cccc(c1)O[*:1]
CC(C)[NH+]1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1 CC(C)[*:1] O=c1[nH]c(CN2CC[NH+](CC2)[*:1])nc2sc3CCCc3c12
CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1C=O FC(F)(F)[*:1] CC(C)(C)OC(=O)Nc1ccc(cc1C=O)O[*:1]
CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1C=O CC(C)(C)[*:1] O=Cc1cc(ccc1NC(=O)O[*:1])OC(F)(F)F
CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1C=O FC(F)(F)O[*:1] CC(C)(C)OC(=O)Nc1ccc(cc1C=O)[*:1]
CCc1ccccc1OCC(=O)NC1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CCc1ccccc1OCC(=O)NC1CCN(CC1)C(=O)[*:1]
CCc1ccccc1OCC(=O)NC1CCN(C(=O)c2ccco2)CC1 CCc1ccccc1[*:1] O=C(CO[*:1])NC1CCN(CC1)C(=O)c1ccco1
Cc1cc(C)c2nc(NC(=O)c3ccc(Br)cc3)sc2c1 Brc1ccc(cc1)[*:1] Cc1cc(C)c2nc(NC(=O)[*:1])sc2c1
Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(F)cc2)N2CCC(C(N)=O)CC2)n1 Cc1cc(C)nc(n1)[*:1] NC(=O)C1CCN(CC1)/C(=N\C(=S)Nc1ccc(F)cc1)N[*:1]
Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(F)cc2)N2CCC(C(N)=O)CC2)n1 Fc1ccc(cc1)[*:1] Cc1cc(C)nc(n1)N/C(=N/C(=S)N[*:1])N1CCC(CC1)C(N)=O
Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(F)cc2)N2CCC(C(N)=O)CC2)n1 NC(=O)[*:1] Cc1cc(C)nc(n1)N/C(=N/C(=S)Nc1ccc(F)cc1)N1CCC(CC1)[*:1]
COC(=O)/C=C1\S/C(=N\c2nc[nH]c2C(N)=O)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] COC(=O)/C=C1\S/C(=N\c2nc[nH]c2C(N)=O)N(C1=O)[*:1]
COC(=O)/C=C1\S/C(=N\c2nc[nH]c2C(N)=O)N(c2ccccc2)C1=O NC(=O)[*:1] COC(=O)/C=C1\S/C(=N\c2nc[nH]c2[*:1])N(C1=O)c1ccccc1
COC(=O)/C=C1\S/C(=N\c2nc[nH]c2C(N)=O)N(c2ccccc2)C1=O NC(=O)c1[nH]cnc1[*:1] COC(=O)/C=C1\SC(=N[*:1])N(C1=O)c1ccccc1
COC(=O)/C=C1\S/C(=N\c2nc[nH]c2C(N)=O)N(c2ccccc2)C1=O COC(=O)[*:1] NC(=O)c1[nH]cnc1/N=C1\SC(=C[*:1])C(=O)N1c1ccccc1
Cc1cccc(OC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1C Cc1cccc(c1C)[*:1] O=C(CCCN1C(=O)NC2(CCCC2)C1=O)O[*:1]
CC1CCC(NC(=O)C(=O)Nc2ccccc2C[NH+]2CCCC2)CC1 CC1CCC(CC1)[*:1] O=C(Nc1ccccc1C[NH+]1CCCC1)C(=O)N[*:1]
C#CCNC(=O)c1ccc(Br)cc1F C#CC[*:1] O=C(N[*:1])c1ccc(Br)cc1F
COc1c(C)cccc1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] COc1c(C)cccc1C(=O)N[*:1]
COc1c(C)cccc1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1c(C)cccc1C(=O)NC[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2nccs2)o1 c1csc(n1)[*:1] CC(C)(C)NS(=O)(=O)c1ccc(o1)C(=O)N[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2nccs2)o1 CC(C)(C)[*:1] O=C(Nc1nccs1)c1ccc(o1)S(=O)(=O)N[*:1]
CNS(=O)(=O)c1cccc([C@H](C)NCc2nc3c(C)cccc3[nH]2)c1 CNS(=O)(=O)[*:1] Cc1cccc2[nH]c(CN[C@@H](C)c3cccc(c3)[*:1])nc12
CC1(CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CCCC1 NC(=O)[*:1] CC1(CCCC1)CNC(=O)N1CCC(CC1)Oc1ccnc(c1)[*:1]
CC1(CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CCCC1 CC1(CCCC1)[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)C(=O)NC[*:1]
CC1(CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CCCC1 CC1(CCCC1)C[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)C(=O)N[*:1]
C[C@H]([NH2+]Cc1ccccn1)c1ccc2c(c1)OCO2 c1ccc(nc1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc2OCOc2c1
O=C(NCCC(=O)N1CCCC1)c1c[nH]c2nccc(Cl)c12 O=C(N1CCCC1)[*:1] O=C(NCC[*:1])c1c[nH]c2nccc(Cl)c12
CCNC(=O)c1ccc(N[C@@H]2COC[C@@]2(C)C(=O)[O-])[nH+]n1 O=C([O-])[*:1] CCNC(=O)c1ccc(N[C@@H]2COC[C@]2(C)[*:1])[nH+]n1
CCNC(=O)c1ccc(N[C@@H]2COC[C@@]2(C)C(=O)[O-])[nH+]n1 CCNC(=O)[*:1] C[C@]1(COC[C@H]1Nc1ccc(n[nH+]1)[*:1])C(=O)[O-]
C=CCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1 C=CC[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])cc(OC)c1OC
C=CCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1 C=CCNC(=O)[*:1] COc1cc(C=C(C#N)[*:1])cc(OC)c1OC
C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)cc1)n1cncn1 FC(F)(F)CO[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])n1cncn1
C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)cc1)n1cncn1 FC(F)(F)C[*:1] C[C@@H](C(=O)Nc1ccc(cc1)O[*:1])n1cncn1
C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)cc1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)OCC(F)(F)F)[*:1]
C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)cc1)n1cncn1 FC(F)(F)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)OC[*:1])n1cncn1
Cc1ccc(OCC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CC1)[C@@H]1CCCN1C(=O)CO[*:1]
Cc1ccc(OCC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)OCC(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(OCC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)OCC(=O)N1CCC[C@H]1C(=O)N[*:1]
Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)CC[*:1]
Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)CCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)C[*:1]
CN(CC1CCC1)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 C1CC(C1)C[*:1] CN(C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
CN(CC1CCC1)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 C1CC(C1)[*:1] CN(C[*:1])C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1
O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CC[C@@H](C1)[NH+]1CCCC1
COc1ccc(N(C)C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cn1 O=C(N[*:1])[C@H]1CCCO1 COc1ccc(cn1)N(C)C(=O)c1cccc(c1)[*:1]
COc1ccc(N(C)C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cn1 COc1ccc(cn1)[*:1] CN(C(=O)c1cccc(c1)NC(=O)[C@H]1CCCO1)[*:1]
O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1 C1CN(CCO1)[*:1] O=c1cccc2[C@H]3C[C@H](CN(C3)c3nc(nc(n3)[*:1])N3CCOCC3)Cn21
COc1cc(Cl)ccc1CNC(=O)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] COc1cc(Cl)ccc1CNC(=O)N1CCC[C@H]1[*:1]
CC1(C)CCCC[C@H]1CC(=O)NCC1(c2ccncc2)CC1 c1cc(ccn1)[*:1] CC1(C)CCCC[C@H]1CC(=O)NCC1(CC1)[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)Cc1ccc[nH]1 CC(C)CC[*:1] C[C@@](O)(CNC(=O)Cc1ccc[nH]1)[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] CC(C)CC[C@@](C)(O)CNC(=O)C[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] CC(C)CC[C@@](C)(O)CNC(=O)[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)Cc1ccc[nH]1 CC(C)[*:1] C[C@@](O)(CC[*:1])CNC(=O)Cc1ccc[nH]1
CC(C)CC[C@@](C)(O)CNC(=O)Cc1ccc[nH]1 CC(C)C[*:1] C[C@](O)(CNC(=O)Cc1ccc[nH]1)C[*:1]
Cc1cc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)sc1C C1CO[C@H](C1)[*:1] Cc1cc(sc1C)S(=O)(=O)[N-]c1cccc(c1)OC[*:1]
Cc1cc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)sc1C C1CO[C@H](C1)C[*:1] Cc1cc(sc1C)S(=O)(=O)[N-]c1cccc(c1)O[*:1]
Cc1cc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)sc1C C1CO[C@H](C1)CO[*:1] Cc1cc(sc1C)S(=O)(=O)[N-]c1cccc(c1)[*:1]
Cc1cc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)sc1C Cc1cc(sc1C)[*:1] O=S(=O)([N-]c1cccc(c1)OC[C@H]1CCCO1)[*:1]
CC(=O)NCCNC(=O)N(Cc1cccc2ccccc12)C1CCCC1 CC(=O)NC[*:1] O=C(NC[*:1])N(Cc1cccc2ccccc12)C1CCCC1
CC(=O)NCCNC(=O)N(Cc1cccc2ccccc12)C1CCCC1 C1CCC(C1)[*:1] CC(=O)NCCNC(=O)N(Cc1cccc2ccccc12)[*:1]
CC(=O)NCCNC(=O)N(Cc1cccc2ccccc12)C1CCCC1 CC(=O)N[*:1] O=C(NCC[*:1])N(Cc1cccc2ccccc12)C1CCCC1
CC(=O)NCCNC(=O)N(Cc1cccc2ccccc12)C1CCCC1 CC(=O)NCC[*:1] O=C(N[*:1])N(Cc1cccc2ccccc12)C1CCCC1
CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2Br)ccc1OC CNS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)N[C@@H](C)c1ccccc1Br
CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2Br)ccc1OC Brc1ccccc1[*:1] CNS(=O)(=O)c1cc(ccc1OC)C(=O)N[C@@H](C)[*:1]
COc1ccc([S@@](=O)Cc2nnc(Cc3ccccc3)o2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[S@@](=O)Cc1nnc(C[*:1])o1
COc1ccc([S@@](=O)Cc2nnc(Cc3ccccc3)o2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)[S@@](=O)Cc1nnc(o1)[*:1]
N#CCc1cccc(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)c1 FC(F)(F)[*:1] N#CCc1cccc(c1)C(=O)N1CCOc2ccc(cc21)[*:1]
N#CCc1cccc(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)c1 N#CC[*:1] O=C(c1cccc(c1)[*:1])N1CCOc2ccc(cc21)C(F)(F)F
CCN(C(=O)[C@H](C)NC(=O)c1cccs1)c1cc(C)ccc1C c1csc(c1)[*:1] CCN(C(=O)[C@H](C)NC(=O)[*:1])c1cc(C)ccc1C
Cc1csc([C@]2([NH2+]C(C)C)CS[C@@H](C)C2)n1 CC(C)[*:1] Cc1csc(n1)[C@@]1(CS[C@@H](C)C1)[NH2+][*:1]
COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)[O-] O=C([O-])[*:1] COc1cc(Cl)ccc1NC(=O)COc1ccccc1[*:1]
N#C/C(C(=O)NC1CCCC1)=C(\[O-])c1ccc(C#N)cc1 C1CCC(C1)[*:1] N#C/C(C(=O)N[*:1])=C(\[O-])c1ccc(C#N)cc1
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C COC(=O)CC[C@@H](C)[*:1] C[C@]12CC[C@@H]3C[C@H]1CC[C@H]1[C@H]4CC[C@H]([C@@]4(C)[C@@H](Br)C(=O)[C@@]12O3)[*:1]
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C COC(=O)CC[*:1] C[C@@H]([C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C)[*:1]
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C COC(=O)C[*:1] C[C@H](C[*:1])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C COC(=O)[*:1] C[C@H](CC[*:1])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C
O=C(NCc1ccco1)[C@@H]1CC(c2ccccc2Cl)=NO1 c1coc(c1)C[*:1] O=C(N[*:1])[C@@H]1CC(=NO1)c1ccccc1Cl
O=C(NCc1ccco1)[C@@H]1CC(c2ccccc2Cl)=NO1 Clc1ccccc1[*:1] O=C(NCc1ccco1)[C@@H]1CC(=NO1)[*:1]
O=C(NCc1ccco1)[C@@H]1CC(c2ccccc2Cl)=NO1 c1coc(c1)[*:1] O=C(NC[*:1])[C@@H]1CC(=NO1)c1ccccc1Cl
Cc1nc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)ccc1C#N NC(=O)c1ccc(cc1)[*:1] Cc1nc(ccc1C#N)C(=O)N1CCN(CC1)C[*:1]
Cc1nc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)ccc1C#N Cc1nc(ccc1C#N)[*:1] NC(=O)c1ccc(cc1)CN1CCN(CC1)C(=O)[*:1]
Cc1nc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)ccc1C#N NC(=O)[*:1] Cc1nc(ccc1C#N)C(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@H](C)OC CO[C@@H](C)[*:1] CC[NH2+][C@@H](c1ccc(F)c(F)c1)[*:1]
Cc1ccc([C@@H](O)[C@@]2(C[NH3+])CCc3ccccc3C2)o1 Cc1ccc(o1)[*:1] [NH3+]C[C@@]1(CCc2ccccc2C1)[C@H](O)[*:1]
COc1ccc(-c2[nH]nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(=O)[O-])c23)cc1 FC(F)(F)c1ccc(cc1)[*:1] COc1ccc(cc1)-c1[nH]nc2nc(cc(C(=O)[O-])c12)[*:1]
COc1ccc(-c2[nH]nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(=O)[O-])c23)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1[nH]nc2nc(cc(c12)[*:1])-c1ccc(cc1)C(F)(F)F
COc1ccc(-c2[nH]nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(=O)[O-])c23)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1[nH]nc2nc(cc(C(=O)[O-])c12)-c1ccc(cc1)[*:1]
COc1ccc(-c2[nH]nc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(=O)[O-])c23)cc1 COc1ccc(cc1)[*:1] O=C([O-])c1cc(nc2n[nH]c(c12)[*:1])-c1ccc(cc1)C(F)(F)F
Cc1ccc(OCc2cc(C)nn2C)c(C[NH2+]C2CC2)n1 Cc1cc(n(C)n1)[*:1] Cc1ccc(OC[*:1])c(C[NH2+]C2CC2)n1
Cc1ccc(OCc2cc(C)nn2C)c(C[NH2+]C2CC2)n1 C1CC1[*:1] Cc1ccc(OCc2cc(C)nn2C)c(C[NH2+][*:1])n1
CCN(CC)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 CCN(CC)C(=O)[*:1] FC(F)(F)c1ccc(cc1)-c1nc(cs1)C[*:1]
CCN(CC)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] CCN(CC)C(=O)Cc1csc(n1)-c1ccc(cc1)[*:1]
CC1=[N+](C)[C@@](C)(c2cccs2)[C@H](C(=O)[O-])C1 c1csc(c1)[*:1] CC1C[C@@H](C(=O)[O-])[C@](C)([N+]=1C)[*:1]
CC1=[N+](C)[C@@](C)(c2cccs2)[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC1C[C@@H]([C@](C)(c2cccs2)[N+]=1C)[*:1]
COc1ccc(Nc2nc(N)c(C(=O)CC(C)C)s2)cc1OC CC(C)CC(=O)[*:1] COc1ccc(cc1OC)Nc1nc(N)c(s1)[*:1]
COc1ccc(Nc2nc(N)c(C(=O)CC(C)C)s2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)Nc1nc(N)c(s1)C(=O)C[*:1]
COc1ccc(Nc2nc(N)c(C(=O)CC(C)C)s2)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)Nc1nc(N)c(s1)C(=O)[*:1]
O=C(CCCc1cccs1)NNc1cccc(F)c1F c1csc(c1)C[*:1] O=C(CC[*:1])NNc1cccc(F)c1F
O=C(CCCc1cccs1)NNc1cccc(F)c1F c1csc(c1)[*:1] O=C(CCC[*:1])NNc1cccc(F)c1F
Cc1nc(-c2ccc(CCNC(=O)c3cc(-c4ccccc4)[nH]n3)cc2)cs1 Cc1nc(cs1)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1cc([nH]n1)-c1ccccc1
Cc1nc(-c2ccc(CCNC(=O)c3cc(-c4ccccc4)[nH]n3)cc2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)-c1ccc(cc1)CCNC(=O)c1cc([nH]n1)[*:1]
CC[C@@H]1c2ccccc2CCN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H]1c2ccccc2CCN1C(=O)[C@H]1C[C@H]1[*:1]
O=C(c1cc(COc2ccccc2)on1)N1CCC[C@@H](OCc2cccnc2)C1 c1ccc(cc1)O[*:1] O=C(c1cc(C[*:1])on1)N1CCC[C@H](C1)OCc1cccnc1
O=C(c1cc(COc2ccccc2)on1)N1CCC[C@@H](OCc2cccnc2)C1 c1ccc(cc1)[*:1] O=C(c1cc(CO[*:1])on1)N1CCC[C@H](C1)OCc1cccnc1
O=C(c1cc(COc2ccccc2)on1)N1CCC[C@@H](OCc2cccnc2)C1 c1ccc(cc1)OC[*:1] O=C(c1cc(on1)[*:1])N1CCC[C@H](C1)OCc1cccnc1
O=C(c1cc(COc2ccccc2)on1)N1CCC[C@@H](OCc2cccnc2)C1 c1cncc(c1)[*:1] O=C(c1cc(COc2ccccc2)on1)N1CCC[C@H](C1)OC[*:1]
O=C(c1cc(COc2ccccc2)on1)N1CCC[C@@H](OCc2cccnc2)C1 c1cncc(c1)C[*:1] O=C(c1cc(COc2ccccc2)on1)N1CCC[C@H](C1)O[*:1]
O=C(c1cc(COc2ccccc2)on1)N1CCC[C@@H](OCc2cccnc2)C1 c1cncc(c1)CO[*:1] O=C(c1cc(COc2ccccc2)on1)N1CCC[C@@H](C1)[*:1]
COC(=O)c1ccc(CN2C[C@@H](C)C[C@@H]([NH3+])C2)nc1 COC(=O)[*:1] C[C@H]1C[C@@H]([NH3+])CN(Cc2ccc(cn2)[*:1])C1
Nc1nnc2sc(SCC(=O)[O-])nn2c1=O O=C([O-])[*:1] Nc1nnc2sc(nn2c1=O)SC[*:1]
Nc1nnc2sc(SCC(=O)[O-])nn2c1=O O=C([O-])C[*:1] Nc1nnc2sc(nn2c1=O)S[*:1]
Nc1nnc2sc(SCC(=O)[O-])nn2c1=O O=C([O-])CS[*:1] Nc1nnc2sc(nn2c1=O)[*:1]
COCCS(=O)(=O)Cc1cccc(F)c1 COCC[*:1] O=S(=O)(Cc1cccc(F)c1)[*:1]
COCCS(=O)(=O)Cc1cccc(F)c1 COC[*:1] O=S(=O)(Cc1cccc(F)c1)C[*:1]
C[NH2+][C@H](Cc1cccc(C)c1)[C@@H]1CCOC2(CCCC2)C1 Cc1cccc(c1)[*:1] C[NH2+][C@H](C[*:1])[C@@H]1CCOC2(CCCC2)C1
CCCCOC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O c1ccc(cc1)[*:1] CCCCOC(=O)Cn1cnc2cc(sc2c1=O)[*:1]
CCCCOC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O CCCC[*:1] O=C(Cn1cnc2cc(sc2c1=O)-c1ccccc1)O[*:1]
CCCCOC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O CCCCOC(=O)[*:1] O=c1c2sc(cc2ncn1C[*:1])-c1ccccc1
CCCCOC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O CCC[*:1] O=C(Cn1cnc2cc(sc2c1=O)-c1ccccc1)OC[*:1]
CCCCOC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O CCCCOC(=O)C[*:1] O=c1c2sc(cc2ncn1[*:1])-c1ccccc1
CCN[C@H](c1cc(C)cnc1N)C(C)(C)[NH+](C)C CCN[*:1] Cc1cnc(N)c(c1)[C@H](C(C)(C)[NH+](C)C)[*:1]
C=CCNC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 C=CC[*:1] O=C(N[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
C[NH+](CCCO)Cc1ccc(Br)cc1 OCC[*:1] C[NH+](Cc1ccc(Br)cc1)C[*:1]
C[NH+](CCCO)Cc1ccc(Br)cc1 OCCC[*:1] C[NH+](Cc1ccc(Br)cc1)[*:1]
C[C@@H](O)[C@H](C)c1ccccc1Cl C[C@@H](O)[*:1] C[C@H](c1ccccc1Cl)[*:1]
CCN(C(=O)c1cnn(-c2ccncc2)c1C)c1ccc2ccccc2c1 c1cc(ccn1)[*:1] CCN(C(=O)c1cnn(c1C)[*:1])c1ccc2ccccc2c1
N#Cc1ccc(S(=O)(=O)/N=C(\[O-])c2cnn(-c3ccc(Cl)cc3)c2)cc1 Clc1ccc(cc1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])c1cnn(c1)[*:1]
N#Cc1ccc(S(=O)(=O)/N=C(\[O-])c2cnn(-c3ccc(Cl)cc3)c2)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])c1cnn(c1)-c1ccc(Cl)cc1)[*:1]
COc1ccc(Br)c(COc2ccc(CC[NH3+])nc2)c1 [NH3+]CC[*:1] COc1ccc(Br)c(c1)COc1ccc(nc1)[*:1]
Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(N2C(=O)[C@H](C)CS2(=O)=O)c1 Cc1cc(Cl)ccc1[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1cc(ccc1Cl)C(=O)N[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(C)C)cc1 CCC(=O)N[*:1] CC(C)C[C@H]1COCCN1S(=O)(=O)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(C)C)cc1 CC(C)[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOC[C@@H]1C[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(C)C)cc1 CC(C)C[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOC[C@H]1[*:1]
CC[C@@H](C)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1C Cc1ccccc1[*:1] CC[C@@H](C)C(=O)CSc1nnc(-c2ccncc2)n1[*:1]
CC[C@@H](C)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1C c1cc(ccn1)[*:1] CC[C@@H](C)C(=O)CSc1nnc(n1-c1ccccc1C)[*:1]
O=C(c1ccccn1)N1CCC(CNC(=O)C2(c3ccccc3)CCOCC2)CC1 c1ccc(nc1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])C1(CCOCC1)c1ccccc1
O=C(c1ccccn1)N1CCC(CNC(=O)C2(c3ccccc3)CCOCC2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccn1)N1CCC(CC1)CNC(=O)C1(CCOCC1)[*:1]
Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cc(C2CC2)[nH]n1 CN(C)C(=O)[*:1] Cc1ccc(cc1OC(=O)c1cc([nH]n1)C1CC1)[*:1]
Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cc(C2CC2)[nH]n1 C1CC1[*:1] Cc1ccc(cc1OC(=O)c1cc([nH]n1)[*:1])C(=O)N(C)C
CCc1nncn1CCNC(=O)N1CCC[C@H]1c1ccccc1 CCc1nncn1[*:1] O=C(NCC[*:1])N1CCC[C@H]1c1ccccc1
CCc1nncn1CCNC(=O)N1CCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCc1nncn1CCNC(=O)N1CCC[C@@H]1[*:1]
NC(=O)N1CCC[C@@H](C(=O)O[C@H](CCc2ccccc2)c2ccccc2)C1 c1ccc(cc1)CC[*:1] NC(=O)N1CCC[C@H](C1)C(=O)O[C@H](c1ccccc1)[*:1]
NC(=O)N1CCC[C@@H](C(=O)O[C@H](CCc2ccccc2)c2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)O[C@H](CC[*:1])c1ccccc1
NC(=O)N1CCC[C@@H](C(=O)O[C@H](CCc2ccccc2)c2ccccc2)C1 c1ccc(cc1)C[*:1] NC(=O)N1CCC[C@H](C1)C(=O)O[C@H](C[*:1])c1ccccc1
NC(=O)N1CCC[C@@H](C(=O)O[C@H](CCc2ccccc2)c2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)O[C@H](CCc1ccccc1)[*:1]
CCCc1cc(=O)n2nc(-c3ccc(C)cc3)c(C)c2[nH]1 CCC[*:1] Cc1ccc(cc1)-c1nn2c(=O)cc([nH]c2c1C)[*:1]
CCCc1cc(=O)n2nc(-c3ccc(C)cc3)c(C)c2[nH]1 Cc1ccc(cc1)[*:1] CCCc1cc(=O)n2nc(c(C)c2[nH]1)[*:1]
CNS(=O)(=O)CCCSc1nc2ccccc2o1 CNS(=O)(=O)[*:1] c1ccc2oc(nc2c1)SCCC[*:1]
CNS(=O)(=O)CCCSc1nc2ccccc2o1 CNS(=O)(=O)C[*:1] c1ccc2oc(nc2c1)SCC[*:1]
c1ccc(-c2csc(NC[C@H]3CCCN(c4ncccn4)C3)n2)cc1 c1ccc(cc1)[*:1] c1cnc(nc1)N1CCC[C@H](CNc2nc(cs2)[*:1])C1
c1ccc(-c2csc(NC[C@H]3CCCN(c4ncccn4)C3)n2)cc1 c1cnc(nc1)[*:1] c1ccc(cc1)-c1csc(n1)NC[C@H]1CCCN(C1)[*:1]
COc1ccc(-n2ccn3cc(-c4ccccc4)nc3c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-n1ccn2cc(nc2c1=O)[*:1]
COc1ccc(-n2ccn3cc(-c4ccccc4)nc3c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c2nc(cn2ccn1[*:1])-c1ccccc1
O=C(CSc1ccc(-c2ccco2)nn1)NCc1ccco1 c1coc(c1)[*:1] O=C(CSc1ccc(nn1)-c1ccco1)NC[*:1]
O=C(CSc1ccc(-c2ccco2)nn1)NCc1ccco1 c1coc(c1)[*:1] O=C(CSc1ccc(nn1)[*:1])NCc1ccco1
O=C(CSc1ccc(-c2ccco2)nn1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CSc1ccc(nn1)-c1ccco1)N[*:1]
COc1ccc(C[C@@H](C)C(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C[C@@H](C)C(=O)N(C)c1cccc(c1)[*:1]
COc1ccc(C[C@@H](C)C(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1 COc1ccc(cc1)[*:1] C[C@H](C[*:1])C(=O)N(C)c1cccc(c1)[N+](=O)[O-]
COc1ccc(C)c2sc(N(CCC[NH+](C)C)C(=O)C3CCCC3)nc12 C1CCC(C1)[*:1] COc1ccc(C)c2sc(nc12)N(CCC[NH+](C)C)C(=O)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)CN1CC[NH+](CC1)C[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)CN1CC[NH+](CC1)[*:1]
COc1ccc(CNC(=O)CNC(=O)c2cccc3[nH]ccc23)cc1 COc1ccc(cc1)[*:1] O=C(CNC(=O)c1cccc2[nH]ccc12)NC[*:1]
Nc1nc2nc([C@H]3CCCN(C(=O)c4cncs4)C3)ccc2s1 c1ncc(s1)[*:1] Nc1nc2nc(ccc2s1)[C@H]1CCCN(C1)C(=O)[*:1]
COC(=O)c1cccc(NC(CO)CO)n1 COC(=O)[*:1] OCC(CO)Nc1cccc(n1)[*:1]
COC(=O)c1cccc(NC(CO)CO)n1 OCC(CO)[*:1] COC(=O)c1cccc(n1)N[*:1]
O=C(CN[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)N1CCNC1=O O=C1NCCN1C(=O)[*:1] Clc1ccc(cc1Cl)[C@H](NC[*:1])c1ccccc1
O=C(CN[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)N1CCNC1=O Clc1ccc(cc1Cl)[*:1] O=C(CN[C@H](c1ccccc1)[*:1])N1CCNC1=O
O=C(CN[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)N1CCNC1=O c1ccc(cc1)[*:1] O=C(CN[C@H](c1ccc(Cl)c(Cl)c1)[*:1])N1CCNC1=O
CC[C@H]1Oc2ccc(NC(=O)c3c(F)cccc3F)cc2CN([C@H](C)CC)C1=O Fc1cccc(F)c1[*:1] CC[C@H]1Oc2ccc(cc2CN(C1=O)[C@H](C)CC)NC(=O)[*:1]
CC[C@H]1Oc2ccc(NC(=O)c3c(F)cccc3F)cc2CN([C@H](C)CC)C1=O CC[C@@H](C)[*:1] CC[C@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)c1c(F)cccc1F
Cc1ccccc1[C@H]1CN(CC(=O)NCc2ccccc2)[C@H](C)CO1 Cc1ccccc1[*:1] C[C@@H]1CO[C@H](CN1CC(=O)NCc1ccccc1)[*:1]
Cc1ccccc1[C@H]1CN(CC(=O)NCc2ccccc2)[C@H](C)CO1 c1ccc(cc1)C[*:1] Cc1ccccc1[C@H]1CN(CC(=O)N[*:1])[C@H](C)CO1
Cc1ccccc1[C@H]1CN(CC(=O)NCc2ccccc2)[C@H](C)CO1 c1ccc(cc1)[*:1] Cc1ccccc1[C@H]1CN(CC(=O)NC[*:1])[C@H](C)CO1
CCOC[C@@H]1C[C@]2(SC([N-]c3ccccc3)=NC2=O)C(=O)O1 CCO[*:1] O=C1N=C([N-]c2ccccc2)S[C@]12C[C@@H](C[*:1])OC2=O
CCOC[C@@H]1C[C@]2(SC([N-]c3ccccc3)=NC2=O)C(=O)O1 CCOC[*:1] O=C1N=C([N-]c2ccccc2)S[C@]12C[C@H](OC2=O)[*:1]
CCOC[C@@H]1C[C@]2(SC([N-]c3ccccc3)=NC2=O)C(=O)O1 c1ccc(cc1)[*:1] CCOC[C@@H]1C[C@]2(SC(=NC2=O)[N-][*:1])C(=O)O1
O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1cnn(c1)Cc1ccc(Br)cc1)N[*:1]
O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)Nc1ccccc1Cl Brc1ccc(cc1)[*:1] O=C(Nc1cnn(c1)C[*:1])Nc1ccccc1Cl
O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)Nc1ccccc1Cl Brc1ccc(cc1)C[*:1] O=C(Nc1cnn(c1)[*:1])Nc1ccccc1Cl
CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccccn1 c1ccc(nc1)[*:1] CNC(=O)c1ccc(Cl)cc1NC(=O)[*:1]
CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccccn1 CNC(=O)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1ccccn1
COC(=O)[C@@H]1C=C(c2ccc(F)cc2)N=N1 COC(=O)[*:1] Fc1ccc(cc1)C1=C[C@H](N=N1)[*:1]
C[C@]1(CCCO)CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] C[C@]1(CCCO)CCCN1c1ccc(cc1[N+](=O)[O-])C(=O)[*:1]
C[C@]1(CCCO)CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] O=C(c1ccccc1)[*:1] C[C@]1(CCCO)CCCN1c1ccc(cc1[N+](=O)[O-])[*:1]
C[C@]1(CCCO)CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@]1(CCCO)CCCN1c1ccc(cc1[*:1])C(=O)c1ccccc1
C[C@]1(CCCO)CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] OCCC[*:1] C[C@@]1(CCCN1c1ccc(cc1[N+](=O)[O-])C(=O)c1ccccc1)[*:1]
C[C@]1(CCCO)CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] OCC[*:1] C[C@@]1(CCCN1c1ccc(cc1[N+](=O)[O-])C(=O)c1ccccc1)C[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@H](Cn2cncn2)C1 c1ncn(n1)[*:1] CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@H](C1)C[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@H](Cn2cncn2)C1 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)N1CCC[C@H](C1)Cn1cncn1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@H](Cn2cncn2)C1 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)N1CCC[C@H](C1)Cn1cncn1
CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@H](Cn2cncn2)C1 c1ncn(C[*:1])n1 CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@H](Cn2cncn2)C1 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)N1CCC[C@H](C1)Cn1cncn1)C[*:1]
C=C(Br)Cn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 Fc1ccc(cc1)[*:1] C=C(Br)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
C=C(Br)Cn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 C=C(Br)C[*:1] O=C1C[C@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1[*:1]
C=C(Br)Cn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 C=C(Br)[*:1] O=C1C[C@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1C[*:1]
CCN(Cc1ccccn1)C(=O)N[C@H](C)Cc1ccc2ccccc2c1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)N[C@H](C)Cc1ccc2ccccc2c1
CCN(Cc1ccccn1)C(=O)N[C@H](C)Cc1ccc2ccccc2c1 c1ccc(C[*:1])nc1 CCN(C(=O)N[C@H](C)Cc1ccc2ccccc2c1)[*:1]
CCOC(=O)c1cccc(NC(=O)c2ccccc2F)c1 CCOC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1F
CCOC(=O)c1cccc(NC(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] CCOC(=O)c1cccc(c1)NC(=O)[*:1]
Cc1nn2c(nc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3ccccc32)c1Cl FC(F)(F)[*:1] Cc1nn2c(nc(c3ccccc32)N2CCN(CC2)c2ccc(cn2)[*:1])c1Cl
Cc1nn2c(nc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3ccccc32)c1Cl FC(F)(F)c1ccc(nc1)[*:1] Cc1nn2c(nc(c3ccccc32)N2CCN(CC2)[*:1])c1Cl
N#CCNC(=O)C[C@@H]1C[NH2+]CCO1 N#CC[*:1] O=C(C[C@@H]1C[NH2+]CCO1)N[*:1]
Cc1ccc2c(c1)=[NH+]C(=O)[C@H](CN(C(=O)C1CCCCC1)C(C)(C)C)C=2 C1CCC(CC1)[*:1] Cc1ccc2=C[C@@H](CN(C(=O)[*:1])C(C)(C)C)C(=O)[NH+]=c2c1
Cc1ccc2c(c1)=[NH+]C(=O)[C@H](CN(C(=O)C1CCCCC1)C(C)(C)C)C=2 CC(C)(C)[*:1] Cc1ccc2=C[C@@H](CN(C(=O)C3CCCCC3)[*:1])C(=O)[NH+]=c2c1
CN1C(=O)CC[C@@H](C(=O)NC[C@H](O)C[NH+](C)C)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CN1C(=O)CC[C@@H](C(=O)NC[C@H](O)C[NH+](C)C)[C@@H]1[*:1]
Cc1ccccc1NC(=O)CCBr BrCC[*:1] Cc1ccccc1NC(=O)[*:1]
CCCn1cncc1-c1nc(=O)c(CC)c([O-])[nH]1 CCC[*:1] CCc1c([O-])[nH]c(nc1=O)-c1cncn1[*:1]
CN(C(=O)C1(c2ccc(F)cc2)CC1)C1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN(C(=O)C1(CC1)c1ccc(F)cc1)C1CCN(CC1)[*:1]
CN(C(=O)C1(c2ccc(F)cc2)CC1)C1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN(C(=O)C1(CC1)[*:1])C1CCN(CC1)c1ccc(F)cc1
CC[NH2+][C@H](Cc1nccs1)c1cc(F)ccc1C c1csc(n1)[*:1] CC[NH2+][C@H](C[*:1])c1cc(F)ccc1C
CC[NH2+][C@H](Cc1nccs1)c1cc(F)ccc1C c1csc(C[*:1])n1 CC[NH2+][C@H](c1cc(F)ccc1C)[*:1]
NC1=C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)N=[NH+]1 c1ccc(cc1)[*:1] NC1=C[C@H](N=[NH+]1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)NCC[NH+]2CCN(c3nc4c(C)cc(C)cc4s3)CC2)c1 COc1cccc(c1)[*:1] Cc1cc(C)c2nc(sc2c1)N1CC[NH+](CCNC(=O)[*:1])CC1
Cc1ccccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 Cc1ccccc1N[*:1] C[C@H](c1nnc(o1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 Cc1ccccc1[*:1] C[C@@H](N[*:1])c1nnc(o1)-c1ccc(cc1)[N+](=O)[O-]
Cc1ccccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] Cc1ccccc1N[C@H](C)c1nnc(o1)-c1ccc(cc1)[*:1]
CCCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)COC CCC[*:1] COC[C@H](C)n1c(=S)[nH]c2c(nn(C)c21)[*:1]
CCCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)COC COC[*:1] CCCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)[*:1]
CCCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)COC COC[C@H](C)[*:1] CCCc1nn(C)c2c1[nH]c(=S)n2[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccccc4Br)no3)C2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CCC[C@H](C1)c1nc(no1)-c1ccccc1Br)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccccc4Br)no3)C2)cc1 Brc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)c1nc(no1)[*:1]
Cc1ccc(NC2=[N+](C(=S)Nc3ccccc3)CCC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC1CCC[N+]=1C(=S)N[*:1]
Cc1ccc(NC2=[N+](C(=S)Nc3ccccc3)CCC2)cc1 Cc1ccc(cc1)[*:1] S=C(Nc1ccccc1)[N+]1CCCC=1N[*:1]
CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2cnn(C(C)C)c2)c(C)c1 CC[C@H](C)S[*:1] Cc1cc(ccc1NC(=O)C(=O)Nc1cnn(c1)C(C)C)[*:1]
CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2cnn(C(C)C)c2)c(C)c1 CC(C)[*:1] CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2cnn(c2)[*:1])c(C)c1
CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2cnn(C(C)C)c2)c(C)c1 CC(C)n1cc(cn1)[*:1] CC[C@H](C)Sc1ccc(NC(=O)C(=O)N[*:1])c(C)c1
CCNC(=O)N1CCc2ccc(NC(=O)[C@@H](C)NC(=O)C3CCC3)cc21 C1CC(C1)[*:1] CCNC(=O)N1CCc2ccc(cc21)NC(=O)[C@@H](C)NC(=O)[*:1]
CCNC(=O)N1CCc2ccc(NC(=O)[C@@H](C)NC(=O)C3CCC3)cc21 O=C(N[*:1])C1CCC1 CCNC(=O)N1CCc2ccc(cc21)NC(=O)[C@@H](C)[*:1]
C[C@@H](NCc1cnc([C@H]2CCCO2)s1)c1cccc(Br)c1 C1CO[C@H](C1)[*:1] C[C@@H](NCc1cnc(s1)[*:1])c1cccc(Br)c1
C[C@@H](NCc1cnc([C@H]2CCCO2)s1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@@H](NCc1cnc(s1)[C@H]1CCCO1)[*:1]
Cc1cc(CN(C)C(=O)NCc2cccc(Br)c2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)NCc1cccc(Br)c1
COc1ccc([C@@H](O)CN2CCN(c3cccc(C)c3)CC2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)N1CCN(CC1)C[C@H](O)[*:1]
COc1ccc([C@@H](O)CN2CCN(c3cccc(C)c3)CC2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)[C@@H](O)CN1CCN(CC1)[*:1]
CCC1(CC)[C@@H](Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)[C@H](C)[C@@H]1OC CS(=O)(=O)[*:1] CCC1(CC)[C@@H](Nc2ccc(cc2S(C)(=O)=O)[*:1])[C@H](C)[C@@H]1OC
CCC1(CC)[C@@H](Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)[C@H](C)[C@@H]1OC CS(=O)(=O)[*:1] CCC1(CC)[C@@H](Nc2ccc(cc2[*:1])S(C)(=O)=O)[C@H](C)[C@@H]1OC
Cc1cccc(-c2nn3c(=O)cc(N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)nc3s2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)-c1nn2c(=O)cc(nc2s1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(-c2nn3c(=O)cc(N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)nc3s2)c1 Cc1cccc(c1)[*:1] O=c1cc(nc2sc(nn12)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
CC[C@H](COC)Nc1nc2cc([N+](=O)[O-])ccc2o1 CC[C@H](COC)[*:1] O=[N+]([O-])c1ccc2oc(nc2c1)N[*:1]
CC[C@H](COC)Nc1nc2cc([N+](=O)[O-])ccc2o1 O=[N+]([O-])[*:1] CC[C@H](COC)Nc1nc2cc(ccc2o1)[*:1]
CC[C@H](COC)Nc1nc2cc([N+](=O)[O-])ccc2o1 COC[*:1] CC[C@H](Nc1nc2cc(ccc2o1)[N+](=O)[O-])[*:1]
C[C@@](CO)(NC(=O)Nc1cccc(OC(F)(F)F)c1)C1CC1 C1CC1[*:1] C[C@@](CO)(NC(=O)Nc1cccc(c1)OC(F)(F)F)[*:1]
C[C@@](CO)(NC(=O)Nc1cccc(OC(F)(F)F)c1)C1CC1 FC(F)(F)O[*:1] C[C@@](CO)(NC(=O)Nc1cccc(c1)[*:1])C1CC1
C[C@@](CO)(NC(=O)Nc1cccc(OC(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] C[C@@](CO)(NC(=O)Nc1cccc(c1)O[*:1])C1CC1
CC(=O)N1CCc2cc(C(=O)NCC3CCC(C)(C)CC3)ccc21 CC1(C)CCC(CC1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)NC[*:1]
CCCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc21 CCC[*:1] COc1ccc2CC[C@@H]([NH2+][C@H](C)C[*:1])c2c1
CCCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc21 CCCC[C@@H](C)[*:1] COc1ccc2CC[C@@H]([NH2+][*:1])c2c1
CCCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc21 CCCC[*:1] COc1ccc2CC[C@@H]([NH2+][C@H](C)[*:1])c2c1
C[C@H](CO)CSCCN1CCNC1=O C[C@H](CO)[*:1] O=C1NCCN1CCSC[*:1]
COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(NC(C)=O)c3)s2)cc1OC CC(=O)N[*:1] COc1ccc(cc1OC)-c1nc(C)c(s1)C(=O)Nc1cccc(c1)[*:1]
CC(C)[NH+](CCC(=O)Nc1ccccc1)Cc1cnn(C)c1 c1ccc(cc1)[*:1] CC(C)[NH+](CCC(=O)N[*:1])Cc1cnn(C)c1
CC(C)[NH+](CCC(=O)Nc1ccccc1)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] CC(C)[NH+](CCC(=O)Nc1ccccc1)C[*:1]
CC(C)[NH+](CCC(=O)Nc1ccccc1)Cc1cnn(C)c1 CC(C)[*:1] Cn1cc(cn1)C[NH+](CCC(=O)Nc1ccccc1)[*:1]
Cc1cc(C(=O)N2CC[C@H](O)C2)ccc1[N-]S(=O)(=O)C(F)(F)F FC(F)(F)[*:1] Cc1cc(ccc1[N-]S(=O)(=O)[*:1])C(=O)N1CC[C@H](O)C1
CC(=O)Nc1nn(S(=O)(=O)c2ccc(N)cc2)c(=S)s1 CC(=O)N[*:1] Nc1ccc(cc1)S(=O)(=O)n1nc(sc1=S)[*:1]
CCOc1ccc(N(Cc2nc3nc(C)cc([O-])n3n2)C(=O)c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CCOc1ccc(cc1)N(Cc1nc2nc(C)cc([O-])n2n1)C(=O)[*:1]
CCOc1ccc(N(Cc2nc3nc(C)cc([O-])n3n2)C(=O)c2cccc(C)c2)cc1 CCOc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N(Cc1nc2nc(C)cc([O-])n2n1)[*:1]
CCOc1ccc(N(Cc2nc3nc(C)cc([O-])n3n2)C(=O)c2cccc(C)c2)cc1 CCO[*:1] Cc1cccc(c1)C(=O)N(Cc1nc2nc(C)cc([O-])n2n1)c1ccc(cc1)[*:1]
CCOCCn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 CCO[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)c1nc2ccccc2n1CC[*:1]
CCOCCn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 CCOC[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
CCOCCn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 CCOCC[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
CCOCCn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 Cc1cccc(c1C)[*:1] CCOCCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)c2ccccc2F)C1 Fc1ccccc1[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCC(C)(C)[*:1]
COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(Cl)cc3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(nnn1CC(=O)Nc1ccc(Cl)cc1)C(=O)N[*:1]
COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(Cl)cc3)c2C)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)c1nnn(CC(=O)N[*:1])c1C
COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 c1ccc2c(c1)CCN2[*:1] COc1ccc(cc1)S(=O)(=O)NC[C@H](c1ccco1)[*:1]
COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 COc1ccc(cc1)[*:1] O=S(=O)(NC[C@H](c1ccco1)N1CCc2ccccc21)[*:1]
COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 c1coc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)NC[C@H](N1CCc2ccccc21)[*:1]
COc1nc(Cl)nc(N(CC(=O)[O-])C(C)(C)C)n1 O=C([O-])C[*:1] COc1nc(Cl)nc(n1)N(C(C)(C)C)[*:1]
COc1nc(Cl)nc(N(CC(=O)[O-])C(C)(C)C)n1 CC(C)(C)[*:1] COc1nc(Cl)nc(n1)N(CC(=O)[O-])[*:1]
COc1nc(Cl)nc(N(CC(=O)[O-])C(C)(C)C)n1 O=C([O-])[*:1] COc1nc(Cl)nc(n1)N(C[*:1])C(C)(C)C
O=[N+]([O-])c1cc2c(c(CSc3nc(-c4ccccc4)n[nH]3)c1)OCOC2 O=[N+]([O-])[*:1] c1ccc(cc1)-c1n[nH]c(n1)SCc1cc(cc2COCOc21)[*:1]
O=[N+]([O-])c1cc2c(c(CSc3nc(-c4ccccc4)n[nH]3)c1)OCOC2 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc2COCOc2c(c1)CSc1nc(n[nH]1)[*:1]
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)c1ccc2C(=O)N(C)C(=O)c2c1)[*:1]
C[C@H]1CCN(C(=O)C(=O)N(C)CCc2cccs2)c2ccccc21 c1csc(c1)C[*:1] C[C@H]1CCN(C(=O)C(=O)N(C)C[*:1])c2ccccc21
C[C@H]1CCN(C(=O)C(=O)N(C)CCc2cccs2)c2ccccc21 c1csc(c1)CC[*:1] C[C@H]1CCN(C(=O)C(=O)N(C)[*:1])c2ccccc21
C[C@H]1CCN(C(=O)C(=O)N(C)CCc2cccs2)c2ccccc21 c1csc(c1)[*:1] C[C@H]1CCN(C(=O)C(=O)N(C)CC[*:1])c2ccccc21
CCCSc1nnc(N/N=C(/C)c2ccc(F)cc2)[nH]1 CCCS[*:1] C/C(=N/Nc1nnc([nH]1)[*:1])c1ccc(F)cc1
CCCSc1nnc(N/N=C(/C)c2ccc(F)cc2)[nH]1 CCC[*:1] C/C(=N/Nc1nnc([nH]1)S[*:1])c1ccc(F)cc1
Cc1cn(C)nc1C(=O)Nc1nnc(-c2ccnn2C(C)C)o1 CC(C)[*:1] Cc1cn(C)nc1C(=O)Nc1nnc(o1)-c1ccnn1[*:1]
Cc1cn(C)nc1C(=O)Nc1nnc(-c2ccnn2C(C)C)o1 Cc1cn(C)nc1[*:1] CC(C)n1nccc1-c1nnc(NC(=O)[*:1])o1
CCc1cc(Cn2cccc2[C@H](C)O)n(C)n1 C[C@H](O)[*:1] CCc1cc(Cn2cccc2[*:1])n(C)n1
CC[C@@H](CC1CCCCC1)C(=O)N(C)Cc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@@H](CC1CCCCC1)C(=O)N(C)C[*:1]
CC[C@@H](CC1CCCCC1)C(=O)N(C)Cc1cc(C)on1 Cc1cc(C[*:1])no1 CC[C@@H](CC1CCCCC1)C(=O)N(C)[*:1]
CC[C@@H](CC1CCCCC1)C(=O)N(C)Cc1cc(C)on1 C1CCC(CC1)[*:1] CC[C@@H](C[*:1])C(=O)N(C)Cc1cc(C)on1
CC[C@@H](CC1CCCCC1)C(=O)N(C)Cc1cc(C)on1 C1CCC(CC1)C[*:1] CC[C@@H](C(=O)N(C)Cc1cc(C)on1)[*:1]
Cc1ccc(S(=O)(=O)/N=C([O-])/C=C/c2ccnc(Cl)c2)cc1C Clc1cc(ccn1)[*:1] Cc1ccc(cc1C)S(=O)(=O)/N=C(\[O-])C=C[*:1]
Cc1onc(-c2ccccc2Cl)c1NC(=O)N[C@@H]1CCSC1 Clc1ccccc1[*:1] Cc1onc(c1NC(=O)N[C@@H]1CCSC1)[*:1]
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCc3[nH]ncc3C2)cc1 CCN(CC)S(=O)(=O)[*:1] C[C@@H](N[C@H]1CCc2[nH]ncc2C1)c1ccc(cc1)[*:1]
CC(=O)c1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)c1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
CC(=O)c1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 CC(=O)c1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
CC(=O)c1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 CC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1[*:1]
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](CC(C)C)CC1 Cc1ccccc1[*:1] CC(C)C[NH+]1CCN(CC1)[C@H](C)C(=O)N[C@@H](C)[*:1]
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](CC1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](CC(C)C)CC1 CC(C)[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](CC1)C[*:1]
CCOC(=O)/C=C\c1ccc(C(=O)NC2CC2)cc1 C1CC1[*:1] CCOC(=O)/C=C\c1ccc(cc1)C(=O)N[*:1]
CCOC(=O)/C=C\c1ccc(C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] CCOC(=O)/C=C\c1ccc(cc1)[*:1]
CCOC(=O)/C=C\c1ccc(C(=O)NC2CC2)cc1 CCOC(=O)[*:1] O=C(NC1CC1)c1ccc(C=C[*:1])cc1
Cn1c(CN2CCC[C@@H]2c2noc(C3CC3)n2)nnc1C1CC1 C1CC1[*:1] Cn1c(CN2CCC[C@@H]2c2noc(n2)[*:1])nnc1C1CC1
Cn1c(CN2CCC[C@@H]2c2noc(C3CC3)n2)nnc1C1CC1 C1CC1[*:1] Cn1c(CN2CCC[C@@H]2c2noc(n2)C2CC2)nnc1[*:1]
CC(C)CNC(=O)NC[C@H]1CCCc2ccccc21 CC(C)C[*:1] O=C(NC[C@H]1CCCc2ccccc21)N[*:1]
CC(C)CNC(=O)NC[C@H]1CCCc2ccccc21 CC(C)[*:1] O=C(NC[C@H]1CCCc2ccccc21)NC[*:1]
Cc1ccc(-c2noc(/C(C#N)=C\c3cc(C)n(-c4cc(C)on4)c3C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(no1)-n1c(C)cc(/C=C(/C#N)c2nc(no2)[*:1])c1C
Cc1ccc(-c2noc(/C(C#N)=C\c3cc(C)n(-c4cc(C)on4)c3C)n2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)-c1noc(n1)/C(C#N)=C\c1cc(C)n(c1C)[*:1]
O=C(NCc1ccc[nH+]c1N1CCOCC1)c1c[nH]c2cccc(F)c12 C1CN(CCO1)[*:1] O=C(NCc1ccc[nH+]c1[*:1])c1c[nH]c2cccc(F)c12
O=C(Cn1cnnn1)N1CCC[C@H]1C1CCCCC1 c1nnnn1[*:1] O=C(C[*:1])N1CCC[C@H]1C1CCCCC1
O=C(Cn1cnnn1)N1CCC[C@H]1C1CCCCC1 c1nnnn1C[*:1] O=C(N1CCC[C@H]1C1CCCCC1)[*:1]
O=C(Cn1cnnn1)N1CCC[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(Cn1cnnn1)N1CCC[C@@H]1[*:1]
COc1cc(C(=O)N[C@H](C)C(N)=O)cc(Cl)c1OC NC(=O)[*:1] COc1cc(cc(Cl)c1OC)C(=O)N[C@H](C)[*:1]
COc1cc(C(=O)N[C@H](C)C(N)=O)cc(Cl)c1OC C[C@H](C(N)=O)[*:1] COc1cc(cc(Cl)c1OC)C(=O)N[*:1]
Cc1csc(CCCNC(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)n1 Cc1csc(n1)[*:1] O=C(NCCC[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
Cc1csc(CCCNC(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)n1 Cc1csc(C[*:1])n1 O=C(NCC[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
Cc1csc(CCCNC(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)n1 Cc1csc(CC[*:1])n1 O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)NC[*:1]
CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@](O)(CNC(=O)N(C)C)CC2)c1C CN(C)C(=O)N[*:1] CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@](O)(CC2)C[*:1])c1C
CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@](O)(CNC(=O)N(C)C)CC2)c1C CC(=O)[*:1] Cc1[nH]c(c(C)c1C(=O)N1CCC[C@@](O)(CC1)CNC(=O)N(C)C)[*:1]
CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@](O)(CNC(=O)N(C)C)CC2)c1C CN(C)C(=O)NC[*:1] CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@](O)(CC2)[*:1])c1C
O=C(Cc1ccccc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 Clc1ccccc1C[*:1] O=C(NCc1ccc(s1)S(=O)(=O)N1CCOCC1)[*:1]
O=C(Cc1ccccc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 Clc1ccccc1[*:1] O=C(C[*:1])NCc1ccc(s1)S(=O)(=O)N1CCOCC1
CSC[C@H](C)NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 CC(=O)[*:1] CSC[C@H](C)NC(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1]
CSC[C@H](C)NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 CSC[*:1] CC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)N[C@@H](C)[*:1]
CSC[C@H](C)NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 CSC[C@H](C)NC(=O)[*:1] CC(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1]
CCCCc1cc(=O)oc2c(C)c(OCC(N)=O)ccc12 NC(=O)[*:1] CCCCc1cc(=O)oc2c(C)c(ccc12)OC[*:1]
CCCCc1cc(=O)oc2c(C)c(OCC(N)=O)ccc12 NC(=O)C[*:1] CCCCc1cc(=O)oc2c(C)c(ccc12)O[*:1]
CCCCc1cc(=O)oc2c(C)c(OCC(N)=O)ccc12 NC(=O)CO[*:1] CCCCc1cc(=O)oc2c(C)c(ccc12)[*:1]
CCCCc1cc(=O)oc2c(C)c(OCC(N)=O)ccc12 CCCC[*:1] Cc1c(ccc2c(cc(=O)oc12)[*:1])OCC(N)=O
CCCCc1cc(=O)oc2c(C)c(OCC(N)=O)ccc12 CCC[*:1] Cc1c(ccc2c(cc(=O)oc12)C[*:1])OCC(N)=O
COc1cccc(CC(=O)NNC(=O)c2ccc(-c3cccs3)s2)c1 c1csc(c1)[*:1] COc1cccc(c1)CC(=O)NNC(=O)c1ccc(s1)[*:1]
COc1cccc(CC(=O)NNC(=O)c2ccc(-c3cccs3)s2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])NNC(=O)c1ccc(s1)-c1cccs1
O=C(CC[S@](=O)Cc1c(F)cccc1Cl)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CC[S@](=O)Cc1c(F)cccc1Cl)N[*:1]
CSc1nnc(CC2CCN(C3=[NH+]C([NH-])=NC4=NC=N[C@H]43)CC2)n1C CSc1nnc(n1C)[*:1] [NH-]C1=NC2=NC=N[C@H]2C(=[NH+]1)N1CCC(CC1)C[*:1]
C[C@@H](Oc1ccccc1F)C(=O)Nc1c(F)cccc1F Fc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)Nc1c(F)cccc1F
COC(=O)c1ccsc1NC(=O)c1ncccc1C(F)(F)F COC(=O)[*:1] O=C(Nc1sccc1[*:1])c1ncccc1C(F)(F)F
COC(=O)c1ccsc1NC(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] COC(=O)c1ccsc1NC(=O)c1ncccc1[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCC(C)(C)C O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)CCCC(C)(C)C)[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCC(C)(C)C CC(C)(C)CCC[*:1] Cc1ccc(c(C)c1NC(=O)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCC(C)(C)C CC(C)(C)[*:1] Cc1ccc(c(C)c1NC(=O)CCC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCC(C)(C)C CC(C)(C)C[*:1] Cc1ccc(c(C)c1NC(=O)CC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCC(C)(C)C CC(C)(C)CC[*:1] Cc1ccc(c(C)c1NC(=O)C[*:1])[N+](=O)[O-]
COCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1cccnc1 c1cncc(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@H]1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1cccnc1 c1coc(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccnc1
COCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1cccnc1 COC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccnc1)c1ccco1
COCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1cccnc1 COCC[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1cccnc1)[*:1])c1ccco1
COCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1cccnc1 O=C(c1ccco1)[*:1] COCCN1C(=O)C([O-])=C([C@@H]1c1cccnc1)[*:1]
CCc1ccc(N[C@H]2c3ncccc3C(=O)N2c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] CCc1ccc(cc1)N[C@H]1c2ncccc2C(=O)N1[*:1]
CCc1ccc(N[C@H]2c3ncccc3C(=O)N2c2ccc(OC)cc2)cc1 CCc1ccc(cc1)N[*:1] COc1ccc(cc1)N1C(=O)c2cccnc2[C@@H]1[*:1]
CCc1ccc(N[C@H]2c3ncccc3C(=O)N2c2ccc(OC)cc2)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)c2cccnc2[C@@H]1N[*:1]
Cc1cnc(S(=O)(=O)CCc2csc(C)n2)nc1 Cc1nc(cs1)[*:1] Cc1cnc(nc1)S(=O)(=O)CC[*:1]
COC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] COC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)[C@@H](C)[NH+]1CCN(CC1)C[*:1]
COC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 COC(=O)[*:1] C[C@H](C(=O)NC1=c2ccccc2=[NH+][C@@H]1[*:1])[NH+]1CCN(CC1)Cc1ccc2OCOc2c1
COC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] COC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)[C@@H](C)[NH+]1CCN(CC1)[*:1]
CCc1ccc(CC)c(NC(=O)c2cc(C3CC3)[nH]n2)c1 C1CC1[*:1] CCc1ccc(CC)c(c1)NC(=O)c1cc([nH]n1)[*:1]
CNc1snc(C)c1C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O CC(C)[*:1] CNc1snc(C)c1C(=O)N[C@H]1CC(=O)N(C1=O)[*:1]
O=C(CNc1cnn(Cc2ccccc2)c(=O)c1Cl)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CNc1cnn(Cc2ccccc2)c(=O)c1Cl)N[*:1]
O=C(CNc1cnn(Cc2ccccc2)c(=O)c1Cl)NC1CCCCC1 c1ccc(cc1)C[*:1] O=C(CNc1cnn(c(=O)c1Cl)[*:1])NC1CCCCC1
O=C(CNc1cnn(Cc2ccccc2)c(=O)c1Cl)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(CNc1cnn(C[*:1])c(=O)c1Cl)NC1CCCCC1
Cc1ccc([C@H](C)NC(=O)Cn2nnc(-c3ccsc3)n2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](NC(=O)Cn1nnc(n1)-c1ccsc1)[*:1]
Cc1ccc([C@H](C)NC(=O)Cn2nnc(-c3ccsc3)n2)cc1C c1cc(cs1)[*:1] Cc1ccc(cc1C)[C@H](C)NC(=O)Cn1nnc(n1)[*:1]
CC(=O)N1CCc2cc(C(=O)CN3CCN(c4ccccc4)CC3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)CN1CCN(CC1)[*:1]
CCc1ccc(-c2nc(CC(=O)Nc3ccc(OC)cc3OC)cs2)cc1 CCc1ccc(cc1)[*:1] COc1ccc(NC(=O)Cc2csc(n2)[*:1])c(c1)OC
O=C(CN1CCCc2ccccc21)NNC(=O)c1sccc1S(=O)(=O)N1CCCC1 c1ccc2c(c1)CCCN2[*:1] O=C(C[*:1])NNC(=O)c1sccc1S(=O)(=O)N1CCCC1
O=C(CN1CCCc2ccccc21)NNC(=O)c1sccc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] O=C(CN1CCCc2ccccc21)NNC(=O)c1sccc1[*:1]
C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 C#CC[*:1] O=C1C[C@H](C(=O)Nc2ccccc2C(=O)N[*:1])c2ccccc2N1
C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 C#CCNC(=O)[*:1] O=C1C[C@H](C(=O)Nc2ccccc2[*:1])c2ccccc2N1
C[C@H](NC(=O)[C@@H](C)Nc1ccc2c(c1)CC(=O)N2)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](Nc1ccc2NC(=O)Cc2c1)C(=O)N[*:1]
C[C@H](NC(=O)[C@@H](C)Nc1ccc2c(c1)CC(=O)N2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)Nc1ccc2NC(=O)Cc2c1)[*:1]
COc1ccc([C@@H]2CCN(C(=O)[C@H]3COc4ccc(F)cc4C3)C2)cc1 COc1ccc(cc1)[*:1] O=C([C@H]1COc2ccc(F)cc2C1)N1CC[C@H](C1)[*:1]
C/[NH+]=C(/NCCC(=O)Nc1ccc(C)cn1)N1CCC[C@@H](C)C1 Cc1ccc(nc1)[*:1] C/[NH+]=C(/NCCC(=O)N[*:1])N1CCC[C@@H](C)C1
Cc1cc(SC[C@H]([NH3+])C(=O)[O-])ccc1N O=C([O-])[*:1] Cc1cc(ccc1N)SC[C@H]([NH3+])[*:1]
CC[C@H](NC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@H](NC(=O)N[C@H]1CCCc2cc(ccc21)OC(F)F)[*:1]
CC[C@H](NC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(OC)cc1 FC(F)O[*:1] CC[C@H](NC(=O)N[C@H]1CCCc2cc(ccc21)[*:1])c1ccc(cc1)OC
CC[C@H](NC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(OC)cc1 FC(F)[*:1] CC[C@H](NC(=O)N[C@H]1CCCc2cc(ccc21)O[*:1])c1ccc(cc1)OC
CC(C)(C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 CC(C)(C)[*:1] O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N[*:1]
O=C([O-])CCCc1csc2ccccc12 O=C([O-])CC[*:1] c1ccc2c(csc2c1)C[*:1]
O=C([O-])CCCc1csc2ccccc12 O=C([O-])[*:1] c1ccc2c(csc2c1)CCC[*:1]
O=C([O-])CCCc1csc2ccccc12 O=C([O-])C[*:1] c1ccc2c(csc2c1)CC[*:1]
C[C@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3o2)CC[C@H]1C O=[N+]([O-])[*:1] C[C@H]1C[C@@H](CC[C@H]1C)Nc1nc2ccc(cc2o1)[*:1]
Nc1ccc2c(S(=O)(=O)NC3CCC3)cccc2c1 C1CC(C1)[*:1] Nc1ccc2c(cccc2c1)S(=O)(=O)N[*:1]
CCc1cc(NCc2nncn2-c2ccccc2)c2ccccc2[nH+]1 c1ccc(cc1)[*:1] CCc1cc(NCc2nncn2[*:1])c2ccccc2[nH+]1
C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3Cl)cn2)CC1 Clc1ncccc1[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)[*:1]
CN(C(=O)CS(=O)(=O)c1nnc(N2CCCC2)s1)C1CC1 CN(C(=O)[*:1])C1CC1 O=S(=O)(C[*:1])c1nnc(s1)N1CCCC1
CN(C(=O)CS(=O)(=O)c1nnc(N2CCCC2)s1)C1CC1 C1CC1[*:1] CN(C(=O)CS(=O)(=O)c1nnc(s1)N1CCCC1)[*:1]
CN(C(=O)CS(=O)(=O)c1nnc(N2CCCC2)s1)C1CC1 C1CCN(C1)[*:1] CN(C(=O)CS(=O)(=O)c1nnc(s1)[*:1])C1CC1
CN[C@H](CC[C@H]([NH3+])C(=O)[O-])C(F)(F)F O=C([O-])[*:1] CN[C@H](CC[C@H]([NH3+])[*:1])C(F)(F)F
CN[C@H](CC[C@H]([NH3+])C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] CN[C@H](CC[C@H]([NH3+])C(=O)[O-])[*:1]
O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cc(F)c(F)c(F)c1 c1ccc(cc1)C[*:1] O=C(Nc1cccn(c1=O)[*:1])c1cc(F)c(F)c(F)c1
O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cc(F)c(F)c(F)c1 c1ccc(cc1)[*:1] O=C(Nc1cccn(C[*:1])c1=O)c1cc(F)c(F)c(F)c1
CC1(C)CN(C(=O)c2ncn(-c3ccccc3)n2)c2ccccc2S1 c1ccc(cc1)[*:1] CC1(C)CN(C(=O)c2ncn(n2)[*:1])c2ccccc2S1
COc1ccc([C@H](CC(=O)O[C@@H]2CCCc3ccccc32)NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@H](CC(=O)O[C@@H]1CCCc2ccccc21)[*:1]
COc1ccc([C@H](CC(=O)O[C@@H]2CCCc3ccccc32)NC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)O[C@@H]1CCCc2ccccc21)[*:1]
C[NH2+]C/C(C)=C/c1ccc(OC(C)C)cc1 CC(C)[*:1] C[NH2+]C/C(C)=C/c1ccc(cc1)O[*:1]
C[NH2+]C/C(C)=C/c1ccc(OC(C)C)cc1 CC(C)O[*:1] C[NH2+]C/C(C)=C/c1ccc(cc1)[*:1]
O=C(c1c(O)cccc1O)N1CCN(c2ncnc3sccc23)CC1 Oc1cccc(O)c1[*:1] O=C(N1CCN(CC1)c1ncnc2sccc12)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccncc1)N(CC[NH+](C)C)C3=O c1cc(ccn1)[*:1] Cc1cc2oc3C(=O)N(CC[NH+](C)C)[C@H](c3c(=O)c2cc1C)[*:1]
CC(C)CC(=O)N[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])C(C)C CC(C)[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)N1CCc2c1cccc2[N+](=O)[O-]
CC(C)CC(=O)N[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])C(C)C O=[N+]([O-])[*:1] CC(C)CC(=O)N[C@@H](C(=O)N1CCc2c1cccc2[*:1])C(C)C
CC(C)CC(=O)N[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])C(C)C CC(C)CC(=O)N[*:1] CC(C)[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[*:1]
CC(C)CC(=O)N[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])C(C)C CC(C)[*:1] CC(C)CC(=O)N[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[*:1]
CC(C)CC(=O)N[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])C(C)C CC(C)C[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCc2c1cccc2[N+](=O)[O-]
Cc1cc(C(=O)[O-])c(C#Cc2ccccc2)s1 O=C([O-])[*:1] Cc1cc(c(C#Cc2ccccc2)s1)[*:1]
Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)[O-] O=C([O-])[*:1] Cc1nc([nH]c(=O)c1C[*:1])SCc1cccc(Cl)c1
Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)[O-] O=C([O-])C[*:1] Cc1nc([nH]c(=O)c1[*:1])SCc1cccc(Cl)c1
Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)[O-] Clc1cccc(c1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)[O-])SC[*:1]
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-n3cccn3)nc2)C1=O c1cnn(c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(nc2)[*:1])C1=O)c1ccccc1
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-n3cccn3)nc2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(nc2)-n2cccn2)C1=O)[*:1]
CC1(C)COc2ccc(NC(=O)c3ccc(Br)cc3)cc2NC1=O Brc1ccc(cc1)[*:1] CC1(C)COc2ccc(cc2NC1=O)NC(=O)[*:1]
CCCCCc1nnc2n1N=C(c1cccs1)CS2 CCC[*:1] c1csc(c1)C1CSc2nnc(CC[*:1])n2N=1
CCCCCc1nnc2n1N=C(c1cccs1)CS2 CCCCC[*:1] c1csc(c1)C1CSc2nnc(n2N=1)[*:1]
CCCCCc1nnc2n1N=C(c1cccs1)CS2 CCCC[*:1] c1csc(c1)C1CSc2nnc(C[*:1])n2N=1
CCCCCc1nnc2n1N=C(c1cccs1)CS2 c1csc(c1)[*:1] CCCCCc1nnc2SCC(=Nn12)[*:1]
C[C@H](NC(=O)CCC(=O)c1ccc(Cl)s1)c1cccc2ccccc12 Clc1ccc(s1)[*:1] C[C@H](NC(=O)CCC(=O)[*:1])c1cccc2ccccc12
C[C@H](NC(=O)CCC(=O)c1ccc(Cl)s1)c1cccc2ccccc12 O=C(c1ccc(Cl)s1)[*:1] C[C@H](NC(=O)CC[*:1])c1cccc2ccccc12
C[C@H]1Oc2c(cccc2C(=O)Nc2ccccc2Oc2ccccc2)NC1=O c1ccc(cc1)O[*:1] C[C@H]1Oc2c(cccc2C(=O)Nc2ccccc2[*:1])NC1=O
C[C@H]1Oc2c(cccc2C(=O)Nc2ccccc2Oc2ccccc2)NC1=O c1ccc(cc1)[*:1] C[C@H]1Oc2c(cccc2C(=O)Nc2ccccc2O[*:1])NC1=O
C[C@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)C(C)(C)CO1 c1nnnn1[*:1] C[C@H]1CN(CC(=O)Nc2cc(ccc2Cl)[*:1])C(C)(C)CO1
COc1ccc(NC(=O)N(Cc2cccc(C)c2)C2CC2)c(OC)c1 C1CC1[*:1] COc1ccc(NC(=O)N(Cc2cccc(C)c2)[*:1])c(c1)OC
COc1ccc(NC(=O)N(Cc2cccc(C)c2)C2CC2)c(OC)c1 Cc1cccc(c1)C[*:1] COc1ccc(NC(=O)N(C2CC2)[*:1])c(c1)OC
COc1ccc(NC(=O)N(Cc2cccc(C)c2)C2CC2)c(OC)c1 Cc1cccc(c1)[*:1] COc1ccc(NC(=O)N(C[*:1])C2CC2)c(c1)OC
OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O C1CCC(C1)N[*:1] OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1O)n1cnc2c(cc(Cl)nc21)[*:1]
OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@H](O)[C@@H]1O C1CCC(C1)[*:1] OC[C@@H]1O[C@@H]([C@H](O)[C@@H]1O)n1cnc2c(cc(Cl)nc21)N[*:1]
COc1ccc2cc(C(=O)C3=C([O-])C(=O)N(c4nc(C)cs4)[C@@H]3c3ccccc3OC)ccc2c1 Cc1csc(n1)[*:1] COc1ccc2cc(ccc2c1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccccc1OC)[*:1]
COc1ccc2cc(C(=O)C3=C([O-])C(=O)N(c4nc(C)cs4)[C@@H]3c3ccccc3OC)ccc2c1 COc1ccccc1[*:1] COc1ccc2cc(ccc2c1)C(=O)C1=C([O-])C(=O)N(c2nc(C)cs2)[C@H]1[*:1]
C[C@H]1C(=O)N(c2ccc(Br)cc2)CCN1C(=O)c1cccs1 Brc1ccc(cc1)[*:1] C[C@H]1C(=O)N(CCN1C(=O)c1cccs1)[*:1]
C[C@H]1C(=O)N(c2ccc(Br)cc2)CCN1C(=O)c1cccs1 c1csc(c1)[*:1] C[C@H]1C(=O)N(CCN1C(=O)[*:1])c1ccc(Br)cc1
Cc1nc(C)c(CN2C(=O)N[C@](c3cccnc3)(C3CC[NH2+]CC3)C2=O)s1 Cc1nc(C)c(s1)[*:1] O=C1N[C@](C(=O)N1C[*:1])(c1cccnc1)C1CC[NH2+]CC1
Cc1nc(C)c(CN2C(=O)N[C@](c3cccnc3)(C3CC[NH2+]CC3)C2=O)s1 Cc1nc(C)c(C[*:1])s1 O=C1N[C@](C(=O)N1[*:1])(c1cccnc1)C1CC[NH2+]CC1
Cc1nc(C)c(CN2C(=O)N[C@](c3cccnc3)(C3CC[NH2+]CC3)C2=O)s1 c1cncc(c1)[*:1] Cc1nc(C)c(CN2C(=O)N[C@@](C2=O)(C2CC[NH2+]CC2)[*:1])s1
CC(C)[C@@H](NC(=O)c1ccc2[nH]nnc2c1)C(=O)[O-] CC(C)[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])c1ccc2[nH]nnc2c1
CC(C)[C@@H](NC(=O)c1ccc2[nH]nnc2c1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](NC(=O)c1ccc2[nH]nnc2c1)[*:1]
COc1ccc(F)c(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)NC[C@H]1CCN(C1)[*:1]
CCn1cnnc1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C c1coc(c1)[*:1] CCn1cnnc1CNC(=O)NC[C@H]([NH+](C)C)[*:1]
CCn1cnnc1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C CCn1cnnc1[*:1] C[NH+](C)[C@H](CNC(=O)NC[*:1])c1ccco1
O=S(=O)(NCCSc1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=S(=O)(NCCS[*:1])c1cccs1
O=S(=O)(NCCSc1ccccc1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(NCCSc1ccccc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 CC(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N(C)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N(C)C[*:1]
CC(C)CO[C@H](C)C(=O)Nc1cccc(N2CCNC2=O)c1 CC(C)[*:1] C[C@@H](OC[*:1])C(=O)Nc1cccc(c1)N1CCNC1=O
CC(C)CO[C@H](C)C(=O)Nc1cccc(N2CCNC2=O)c1 CC(C)C[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)N1CCNC1=O
CC(C)CO[C@H](C)C(=O)Nc1cccc(N2CCNC2=O)c1 CC(C)CO[*:1] C[C@H](C(=O)Nc1cccc(c1)N1CCNC1=O)[*:1]
CC(C)CO[C@H](C)C(=O)Nc1cccc(N2CCNC2=O)c1 CC(C)CO[C@H](C)[*:1] O=C1NCCN1c1cccc(c1)NC(=O)[*:1]
CC(C)CO[C@H](C)C(=O)Nc1cccc(N2CCNC2=O)c1 O=C1NCCN1[*:1] CC(C)CO[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CO[C@H](C)c1nc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cs1 CO[C@H](C)[*:1] Fc1ccc(cc1)[C@@H]([NH2+]Cc1csc(n1)[*:1])C1CCCC1
CO[C@H](C)c1nc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cs1 Fc1ccc(cc1)[*:1] CO[C@H](C)c1nc(cs1)C[NH2+][C@H](C1CCCC1)[*:1]
CO[C@H](C)c1nc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cs1 C1CCC(C1)[*:1] CO[C@H](C)c1nc(cs1)C[NH2+][C@H](c1ccc(F)cc1)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CC[NH3+])CC1 CCC[C@H](C)[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC[NH3+])CC1
CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CC[NH3+])CC1 CCC[*:1] C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(CC[NH3+])CC1)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CC[NH3+])CC1 [NH3+]CC[*:1] CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CC1)[*:1]
O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CCn1ccc2cc(ccc21)S(=O)(=O)N1CCCCC1)NC[*:1]
O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccc2c(c1)OCO2 O=S(=O)(N1CCCCC1)[*:1] O=C(CCn1ccc2cc(ccc21)[*:1])NCc1ccc2OCOc2c1
O=C(CCn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C(CCn1ccc2cc(ccc21)S(=O)(=O)N1CCCCC1)N[*:1]
O=C(NC[C@H](O)c1c(F)cccc1F)c1cc(=O)c2ccccc2o1 Fc1cccc(F)c1[*:1] O=C(NC[C@H](O)[*:1])c1cc(=O)c2ccccc2o1
CC(C)NC(=O)Nc1ccc(C(=O)Oc2ccc3cn[nH]c3c2)cc1 CC(C)NC(=O)N[*:1] O=C(Oc1ccc2cn[nH]c2c1)c1ccc(cc1)[*:1]
CC(C)NC(=O)Nc1ccc(C(=O)Oc2ccc3cn[nH]c3c2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)C(=O)Oc1ccc2cn[nH]c2c1)N[*:1]
COCC[NH2+]Cc1ccnn1Cc1nccs1 COCC[*:1] c1csc(Cn2nccc2C[NH2+][*:1])n1
COCC[NH2+]Cc1ccnn1Cc1nccs1 COC[*:1] c1csc(Cn2nccc2C[NH2+]C[*:1])n1
COCC[NH2+]Cc1ccnn1Cc1nccs1 c1csc(n1)[*:1] COCC[NH2+]Cc1ccnn1C[*:1]
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 Clc1ccc(cc1)[*:1] CO[C@H]([C@@H](C)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)C1C[C@@H](C)O[C@H](C)C1 CSc1ccccc1[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N(C)CC(=O)N[*:1]
Cc1cccc2c1C(=O)N[C@@H](c1ccc(OC(C)C)cc1)N2 CC(C)O[*:1] Cc1cccc2N[C@@H](NC(=O)c12)c1ccc(cc1)[*:1]
Cc1cccc2c1C(=O)N[C@@H](c1ccc(OC(C)C)cc1)N2 CC(C)[*:1] Cc1cccc2N[C@@H](NC(=O)c12)c1ccc(cc1)O[*:1]
CCCC[NH+](CC)Cc1cc(Cl)cc2c1OCOC2 CCC[*:1] CC[NH+](Cc1cc(Cl)cc2COCOc21)C[*:1]
CCCC[NH+](CC)Cc1cc(Cl)cc2c1OCOC2 CCCC[*:1] CC[NH+](Cc1cc(Cl)cc2COCOc21)[*:1]
CC(C)CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 CC(C)CC[*:1] O=C(N[*:1])[C@H]1Cc2ccccc2N1C(=O)c1ccccc1
CC(C)CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 CC(C)[*:1] O=C(NCC[*:1])[C@H]1Cc2ccccc2N1C(=O)c1ccccc1
CC(C)CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)[*:1]
CC(C)CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 CC(C)CCNC(=O)[*:1] O=C(c1ccccc1)N1c2ccccc2C[C@@H]1[*:1]
CC(C)CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 CC(C)C[*:1] O=C(NC[*:1])[C@H]1Cc2ccccc2N1C(=O)c1ccccc1
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O C1CC1[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc2C(=O)N(C[*:1])C(=O)c2c1
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O C1CC1C[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC(C)CNC(=O)CSc1ncnc2sc3c(c12)CCC3 CC(C)C[*:1] O=C(CSc1ncnc2sc3CCCc3c12)N[*:1]
CC(C)CNC(=O)CSc1ncnc2sc3c(c12)CCC3 CC(C)[*:1] O=C(CSc1ncnc2sc3CCCc3c12)NC[*:1]
CC(C)CNC(=O)CSc1ncnc2sc3c(c12)CCC3 CC(C)CNC(=O)[*:1] c1nc(SC[*:1])c2c3CCCc3sc2n1
CCN(CC#N)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)C[*:1] CCN(CC#N)C(=O)c1cc(O[*:1])c2ccccc2n1
CCN(CC#N)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)CO[*:1] CCN(CC#N)C(=O)c1cc(c2ccccc2n1)[*:1]
CCN(CC#N)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 CCN(CC#N)C(=O)[*:1] FC(F)(F)COc1cc(nc2ccccc12)[*:1]
CCN(CC#N)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)[*:1] CCN(CC#N)C(=O)c1cc(OC[*:1])c2ccccc2n1
CCN(CC#N)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 N#CC[*:1] CCN(C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)[*:1]
C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2nnc(-c3ccc(Br)cc3)o2)C1=O Brc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(Cc2nnc(o2)[*:1])C1=O)c1ccc2OCOc2c1
C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2nnc(-c3ccc(Br)cc3)o2)C1=O c1cc2OCOc2cc1[*:1] C[C@@]1(NC(=O)N(Cc2nnc(o2)-c2ccc(Br)cc2)C1=O)[*:1]
CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)NC1=O c1ccc(cc1)[*:1] CN1C[C@@H](NC1=O)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(Cc1csc(-c2ccccn2)n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(Cc1csc(n1)-c1ccccn1)N(C[C@H]1CCCO1)[*:1]
O=C(Cc1csc(-c2ccccn2)n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 c1ccc(nc1)[*:1] O=C(Cc1csc(n1)[*:1])N(C[C@H]1CCCO1)c1nc2ccccc2s1
CCOCC[NH+]1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 Fc1cccc(c1)[*:1] CCOCC[NH+]1CCN(CC1)Cc1coc(n1)[*:1]
CCOCC[NH+]1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 CCO[*:1] Fc1cccc(c1)-c1nc(co1)CN1CC[NH+](CC1)CC[*:1]
CCOCC[NH+]1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 CCOC[*:1] Fc1cccc(c1)-c1nc(co1)CN1CC[NH+](CC1)C[*:1]
CCOCC[NH+]1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 CCOCC[*:1] Fc1cccc(c1)-c1nc(co1)CN1CC[NH+](CC1)[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)c3cc4ccccc4cc3O)c2)n1 Cc1n[nH]c(n1)[*:1] O=C(NCc1cccc(c1)[*:1])c1cc2ccccc2cc1O
CC[NH2+]Cc1cnn(-c2cccc(Br)c2)c1C1CC1 C1CC1[*:1] CC[NH2+]Cc1cnn(-c2cccc(Br)c2)c1[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2COCCO2)cc1 CC[C@@H](C)NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1COCCO1
CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2COCCO2)cc1 CC[C@@H](C)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@@H]1COCCO1
Cc1ccc2ncc(C(=O)N[C@H]3CCCC[C@@H]3n3cccn3)n2c1 c1cnn(c1)[*:1] Cc1ccc2ncc(C(=O)N[C@H]3CCCC[C@H]3[*:1])n2c1
Oc1n[nH]c(-c2ccccc2)c1/C=N\c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Oc1n[nH]c(-c2ccccc2)c1C=N[*:1]
Oc1n[nH]c(-c2ccccc2)c1/C=N\c1cccc(Cl)c1 c1ccc(cc1)[*:1] Oc1n[nH]c(c1/C=N\c1cccc(Cl)c1)[*:1]
CC[C@H](C)NC(=O)CC[NH2+]Cc1cccc(O)c1 CC[C@H](C)[*:1] O=C(CC[NH2+]Cc1cccc(O)c1)N[*:1]
NC(=O)[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 NC(=O)[*:1] O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CCC[C@H]1[*:1]
CC[C@@H](C)n1nccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](C)n1nccc1NS(=O)(=O)c1ccc(C)c(c1)[*:1]
CC[C@@H](C)n1nccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 CC[C@@H](C)[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc1ccnn1[*:1]
CC[C@@H](C)n1ncc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1C1CC1 O=S1(=O)CC[C@H](C1)[*:1] CC[C@@H](C)n1ncc(C(=O)NC[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1C1CC1 CC[C@@H](C)[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cnn(c1C1CC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1[*:1]
CN(Cc1ccncn1)C(=O)[C@@H]1C=C(Cn2ccc3ccccc32)N=N1 c1cc(C[*:1])ncn1 CN(C(=O)[C@@H]1C=C(Cn2ccc3ccccc32)N=N1)[*:1]
CN(Cc1ccncn1)C(=O)[C@@H]1C=C(Cn2ccc3ccccc32)N=N1 c1cc(ncn1)[*:1] CN(C[*:1])C(=O)[C@@H]1C=C(Cn2ccc3ccccc32)N=N1
Cc1nnc(COC(=O)C2(Cc3nc4ccccc4s3)CCCC2)o1 Cc1nnc(o1)[*:1] O=C(OC[*:1])C1(CCCC1)Cc1nc2ccccc2s1
Cc1nnc(COC(=O)C2(Cc3nc4ccccc4s3)CCCC2)o1 Cc1nnc(C[*:1])o1 O=C(O[*:1])C1(CCCC1)Cc1nc2ccccc2s1
CC(C)Cc1nnc(NC(=O)CN2CCc3cc(F)ccc3C2)s1 CC(C)C[*:1] O=C(CN1CCc2cc(F)ccc2C1)Nc1nnc(s1)[*:1]
CC(C)Cc1nnc(NC(=O)CN2CCc3cc(F)ccc3C2)s1 CC(C)[*:1] O=C(CN1CCc2cc(F)ccc2C1)Nc1nnc(C[*:1])s1
CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C1CC1)[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C1CC1 C1CC1[*:1] CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C1CC1 CCC[*:1] O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@H]1CSCN1C(=O)[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C[*:1])C1CC1
COCCNC(=O)CNC(=O)Nc1cccnc1C COCC[*:1] Cc1ncccc1NC(=O)NCC(=O)N[*:1]
COCCNC(=O)CNC(=O)Nc1cccnc1C COC[*:1] Cc1ncccc1NC(=O)NCC(=O)NC[*:1]
CCn1nc(C)c2c1cnn2CC(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] CCn1nc(C)c2c1cnn2CC(=O)NCC[*:1]
CCn1nc(C)c2c1cnn2CC(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] CCn1nc(C)c2c1cnn2CC(=O)NC[*:1]
COC(=O)c1cccc(-c2nc(C(C)C)cs2)c1 COC(=O)[*:1] CC(C)c1csc(n1)-c1cccc(c1)[*:1]
COC(=O)c1cccc(-c2nc(C(C)C)cs2)c1 CC(C)[*:1] COC(=O)c1cccc(c1)-c1nc(cs1)[*:1]
C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F c1coc(c1)C[*:1] C[NH+](C)CCN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)[*:1]
C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F c1coc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F
C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1C[C@@H]1[*:1]
C=CC[n+]1c(N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3cc(C)ccc3nc21 C1CO[C@H](C1)C[*:1] C=CC[n+]1c(N)c(cc2c(=O)n3cc(C)ccc3nc21)C(=O)N[*:1]
C=CC[n+]1c(N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3cc(C)ccc3nc21 O=C(NC[C@H]1CCCO1)[*:1] C=CC[n+]1c(N)c(cc2c(=O)n3cc(C)ccc3nc21)[*:1]
C=CC[n+]1c(N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3cc(C)ccc3nc21 C1CO[C@H](C1)[*:1] C=CC[n+]1c(N)c(cc2c(=O)n3cc(C)ccc3nc21)C(=O)NC[*:1]
C=CC[n+]1c(N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3cc(C)ccc3nc21 C=CC[*:1] Cc1ccc2nc3c(cc(C(=O)NC[C@H]4CCCO4)c(N)[n+]3[*:1])c(=O)n2c1
c1ccc2c(c1)C[C@H](c1nnc(C[NH2+]C3CC3)s1)S2 C1CC1[*:1] c1ccc2S[C@H](Cc2c1)c1nnc(C[NH2+][*:1])s1
N[C@@H](c1ccccc1C(F)(F)F)[C@@H]1CSCCS1 FC(F)(F)[*:1] N[C@@H](c1ccccc1[*:1])[C@@H]1CSCCS1
COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2cccc(C)n2)n1 Cc1cccc(n1)N[*:1] COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(n1)[*:1]
COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2cccc(C)n2)n1 COC[*:1] Cc1cccc(n1)Nc1cc(C)nc(n1)[C@H]1CCCN1C(=O)C[*:1]
COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2cccc(C)n2)n1 COCC[*:1] Cc1cccc(n1)Nc1cc(C)nc(n1)[C@H]1CCCN1C(=O)[*:1]
COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2cccc(C)n2)n1 Cc1cccc(n1)[*:1] COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(n1)N[*:1]
O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)n1nnnc1N2 O=[N+]([O-])[*:1] O=C1CCCC2Nc3nnnn3[C@@H](C=21)c1cccc(c1)[*:1]
Fc1cc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)ccc1Cl c1cc2OCCOc2cc1[*:1] Fc1cc(ccc1Cl)CN1CCc2nc(ncc2C1)N[*:1]
Fc1cc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)ccc1Cl Fc1cc(ccc1Cl)[*:1] c1cc2OCCOc2cc1Nc1ncc2CN(CCc2n1)C[*:1]
Fc1cc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)ccc1Cl Fc1cc(ccc1Cl)C[*:1] c1cc2OCCOc2cc1Nc1ncc2CN(CCc2n1)[*:1]
Cc1ccc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1S(C)(=O)=O Clc1ccc(cc1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)C[C@@H](O)[*:1]
Cc1ccc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C[C@@H](O)c1ccc(Cl)cc1
O=C(c1cc(-c2ccccc2)on1)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cc(on1)[*:1])N1CC[C@@H](C1)c1ccccc1
O=C(c1cc(-c2ccccc2)on1)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cc(on1)-c1ccccc1)N1CC[C@H](C1)[*:1]
CC(=O)N1CCN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)CC1 CC(=O)N1CCN(CC1)[*:1] O=C(C[*:1])N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1
CC(=O)N1CCN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)CC1 CC(=O)N1CCN(CC1)C[*:1] O=C(N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1)[*:1]
CC(=O)N1CCN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)CC1 c1csc(c1)[*:1] CC(=O)N1CCN(CC1)CC(=O)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1[*:1]
CC(=O)N1CCN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)CC1 c1csc(c1)[*:1] CC(=O)N1CCN(CC1)CC(=O)N1N=C2C(=C[*:1])CCC[C@@H]2[C@@H]1c1cccs1
O=C(NCCc1cccs1)Nc1cc2c(cc1Cl)OCCO2 c1csc(c1)CC[*:1] O=C(Nc1cc2OCCOc2cc1Cl)N[*:1]
O=C(NCCc1cccs1)Nc1cc2c(cc1Cl)OCCO2 c1csc(c1)C[*:1] O=C(NC[*:1])Nc1cc2OCCOc2cc1Cl
O=C(NCCc1cccs1)Nc1cc2c(cc1Cl)OCCO2 c1csc(c1)[*:1] O=C(NCC[*:1])Nc1cc2OCCOc2cc1Cl
O=C1CCC(=O)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 O=C1CCC(=O)N1[*:1] O[C@H](Cn1c2ccccc2c2ccccc21)C[*:1]
O=C1CCC(=O)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 O=C1CCC(=O)N1C[*:1] O[C@H](Cn1c2ccccc2c2ccccc21)[*:1]
CCC(CC)[C@@H](C)n1c(N)nc2c[nH+]ccc21 CCC(CC)[*:1] C[C@@H](n1c(N)nc2c[nH+]ccc21)[*:1]
Cc1cccc(C(=O)NCC(=O)NCCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NCC(=O)NCC[*:1]
Cc1cccc(C(=O)NCC(=O)NCCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)C(=O)NCC(=O)NC[*:1]
Cc1cccc(C(=O)NCC(=O)NCCc2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])NCCc1ccccc1
O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1CCCO c1ccc(cc1)[*:1] O=c1c2c(n3ncnc3nc2ccn1CCCO)[*:1]
O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1CCCO OCC[*:1] O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1C[*:1]
O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1CCCO OCCC[*:1] O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1[*:1]
CCN(C)C(=O)NCCSCC(C)(C)O CC(C)(O)[*:1] CCN(C)C(=O)NCCSC[*:1]
CCN(C)C(=O)NCCSCC(C)(C)O CC(C)(O)C[*:1] CCN(C)C(=O)NCCS[*:1]
CC1=C(C(=O)OCc2ccc(C)cc2)[C@H](c2ccccc2OC(C)C)NC(=O)N1 CC(C)[*:1] CC1NC(=O)N[C@H](C=1C(=O)OCc1ccc(C)cc1)c1ccccc1O[*:1]
CC1=C(C(=O)OCc2ccc(C)cc2)[C@H](c2ccccc2OC(C)C)NC(=O)N1 Cc1ccc(cc1)C[*:1] CC1NC(=O)N[C@H](C=1C(=O)O[*:1])c1ccccc1OC(C)C
CC1=C(C(=O)OCc2ccc(C)cc2)[C@H](c2ccccc2OC(C)C)NC(=O)N1 CC(C)O[*:1] CC1NC(=O)N[C@H](C=1C(=O)OCc1ccc(C)cc1)c1ccccc1[*:1]
CC1=C(C(=O)OCc2ccc(C)cc2)[C@H](c2ccccc2OC(C)C)NC(=O)N1 Cc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)OC[*:1])c1ccccc1OC(C)C
CC(=O)Nc1cccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1cccn(Cc2ccccc2F)c1=O
CC(=O)Nc1cccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c1 Fc1ccccc1C[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1cccn(c1=O)[*:1]
CC(=O)Nc1cccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c1 Fc1ccccc1[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1cccn(C[*:1])c1=O
CN(Cc1ccsc1)c1nc2ccc(N)cc2o1 c1cc(cs1)C[*:1] CN(c1nc2ccc(N)cc2o1)[*:1]
CN(Cc1ccsc1)c1nc2ccc(N)cc2o1 c1cc(cs1)[*:1] CN(C[*:1])c1nc2ccc(N)cc2o1
Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCCCCC3)CC2)CC1 O=C(N1CCCCCC1)[*:1] Cc1ccccc1C[NH+]1CCC(CC1)N1CCC(CC1)[*:1]
Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCCCCC3)CC2)CC1 Cc1ccccc1C[*:1] O=C(C1CCN(CC1)C1CC[NH+](CC1)[*:1])N1CCCCCC1
Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCCCCC3)CC2)CC1 Cc1ccccc1[*:1] O=C(C1CCN(CC1)C1CC[NH+](CC1)C[*:1])N1CCCCCC1
COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F C1CO[C@H](C1)[*:1] COc1cc(c(cc1OC(F)F)[N+](=O)[O-])[C@@H]1Nc2ccccc2C(=O)N1C[*:1]
COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F C1CO[C@H](C1)C[*:1] COc1cc(c(cc1OC(F)F)[N+](=O)[O-])[C@@H]1Nc2ccccc2C(=O)N1[*:1]
COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F O=[N+]([O-])[*:1] COc1cc(c(cc1OC(F)F)[*:1])[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1
COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F FC(F)[*:1] COc1cc(c(cc1O[*:1])[N+](=O)[O-])[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1
COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1OC(F)F FC(F)O[*:1] COc1cc(c(cc1[*:1])[N+](=O)[O-])[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1
CCCCN(CC)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCCCN(CC)C(=O)Nc1cccc(c1)[*:1]
CCCCN(CC)C(=O)Nc1cccc([N+](=O)[O-])c1 CCCC[*:1] CCN(C(=O)Nc1cccc(c1)[N+](=O)[O-])[*:1]
CCCCN(CC)C(=O)Nc1cccc([N+](=O)[O-])c1 CCC[*:1] CCN(C[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
O=C(Nc1ncc(Cc2ccccc2Cl)s1)C1CC1 C1CC1[*:1] O=C(Nc1ncc(Cc2ccccc2Cl)s1)[*:1]
O=C(Nc1ncc(Cc2ccccc2Cl)s1)C1CC1 O=C(N[*:1])C1CC1 Clc1ccccc1Cc1cnc(s1)[*:1]
Cn1ccc2c(C(=O)N3CC[C@]4(CCCN(CCO)C4=O)C3)cccc21 OCC[*:1] Cn1ccc2c(cccc21)C(=O)N1CC[C@]2(CCCN(C2=O)[*:1])C1
CC(C)(O)CNc1ccc(Br)cn1 CC(C)(O)[*:1] Brc1ccc(nc1)NC[*:1]
CCc1nc2n(n1)CCC[C@@H]2Nc1ccc(C(F)(F)F)cc1C#N FC(F)(F)[*:1] CCc1nc2[C@H](CCCn2n1)Nc1ccc(cc1C#N)[*:1]
C[C@@H](Sc1nnc(-c2cccc(F)c2)n1C)C(=O)Nc1nccs1 c1csc(n1)[*:1] C[C@@H](Sc1nnc(-c2cccc(F)c2)n1C)C(=O)N[*:1]
C[C@@H](Sc1nnc(-c2cccc(F)c2)n1C)C(=O)Nc1nccs1 Fc1cccc(c1)[*:1] C[C@@H](Sc1nnc(n1C)[*:1])C(=O)Nc1nccs1
C[C@@H](Sc1nnc(-c2cccc(F)c2)n1C)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] C[C@@H](Sc1nnc(-c2cccc(F)c2)n1C)[*:1]
COC(=O)[C@@](C)(NS(=O)(=O)c1ccc(Cl)cc1F)C1CC1 COC(=O)[*:1] C[C@@](NS(=O)(=O)c1ccc(Cl)cc1F)(C1CC1)[*:1]
COC(=O)[C@@](C)(NS(=O)(=O)c1ccc(Cl)cc1F)C1CC1 C1CC1[*:1] COC(=O)[C@@](C)(NS(=O)(=O)c1ccc(Cl)cc1F)[*:1]
Cc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c2cccc(C)c2n1 N#Cc1cccnc1[*:1] Cc1cc(C(=O)N2CCN(CC2)[*:1])c2cccc(C)c2n1
COc1ccccc1N1C[C@H](C(=O)N(C)C)CC1=O CN(C)C(=O)[*:1] COc1ccccc1N1C[C@H](CC1=O)[*:1]
CC(C)[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccnc1 CC(C)[*:1] OCC[C@@]1(CCOC1)C[NH2+][C@@H](c1cccnc1)[*:1]
CC(C)[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)[*:1]
CC(C)[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccnc1 OCC[*:1] CC(C)[C@@H]([NH2+]C[C@]1(CCOC1)[*:1])c1cccnc1
CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cc1noc2ccccc12 c1ccc2c(C[*:1])noc2c1 CN(Cc1cn(nc1-c1ccccc1)-c1ccccc1)C(=O)[*:1]
CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cc1noc2ccccc12 c1ccc(cc1)[*:1] CN(Cc1cn(nc1-c1ccccc1)[*:1])C(=O)Cc1noc2ccccc12
CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cc1noc2ccccc12 c1ccc(cc1)[*:1] CN(Cc1cn(nc1[*:1])-c1ccccc1)C(=O)Cc1noc2ccccc12
CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cc1noc2ccccc12 c1ccc2c(noc2c1)[*:1] CN(Cc1cn(nc1-c1ccccc1)-c1ccccc1)C(=O)C[*:1]
CC(=O)NCCC[NH+](C)Cc1nc(C)c(C)s1 CC(=O)N[*:1] Cc1nc(C[NH+](C)CCC[*:1])sc1C
CC(=O)NCCC[NH+](C)Cc1nc(C)c(C)s1 CC(=O)NC[*:1] Cc1nc(C[NH+](C)CC[*:1])sc1C
CC[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)c1cc(F)ccc1F C1CC1[*:1] CC[C@@H](NC(=O)N1CC[NH+](CC1)[*:1])c1cc(F)ccc1F
Cc1ccc(C(=O)Cn2cnc3sc(C(N)=O)c(C)c3c2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1c(sc2ncn(CC(=O)[*:1])c(=O)c12)C(N)=O
Cc1ccc(C(=O)Cn2cnc3sc(C(N)=O)c(C)c3c2=O)cc1C NC(=O)[*:1] Cc1ccc(cc1C)C(=O)Cn1cnc2sc(c(C)c2c1=O)[*:1]
Cc1cccc(C)c1NCC[NH2+][C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NCC[NH2+][C@@H](C)[*:1]
O=S(=O)(c1c(F)cccc1F)N(Cc1ccccc1)[C@H](CO)C1CC1 c1ccc(cc1)[*:1] O=S(=O)(c1c(F)cccc1F)N(C[*:1])[C@H](CO)C1CC1
O=S(=O)(c1c(F)cccc1F)N(Cc1ccccc1)[C@H](CO)C1CC1 C1CC1[*:1] O=S(=O)(c1c(F)cccc1F)N(Cc1ccccc1)[C@H](CO)[*:1]
O=S(=O)(c1c(F)cccc1F)N(Cc1ccccc1)[C@H](CO)C1CC1 c1ccc(cc1)C[*:1] O=S(=O)(c1c(F)cccc1F)N([C@H](CO)C1CC1)[*:1]
O=S(=O)(c1c(F)cccc1F)N(Cc1ccccc1)[C@H](CO)C1CC1 Fc1cccc(F)c1[*:1] O=S(=O)(N(Cc1ccccc1)[C@H](CO)C1CC1)[*:1]
Cc1ccc(C)c(OCC(=O)N[C@H](C[S@](C)=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)OCC(=O)N[C@H](C[S@](C)=O)[*:1]
Cc1ccc(C)c(OCC(=O)N[C@H](C[S@](C)=O)c2ccccc2)c1 Cc1ccc(C)c(c1)[*:1] C[S@](=O)C[C@@H](NC(=O)CO[*:1])c1ccccc1
CC[NH2+][C@@H](c1cncc(Br)c1)C(CC)CC CCC(CC)[*:1] CC[NH2+][C@@H](c1cncc(Br)c1)[*:1]
CC(C)Cn1cc(NC(=O)NNc2ncccc2Cl)cn1 CC(C)C[*:1] O=C(NNc1ncccc1Cl)Nc1cnn(c1)[*:1]
CC(C)Cn1cc(NC(=O)NNc2ncccc2Cl)cn1 CC(C)[*:1] O=C(NNc1ncccc1Cl)Nc1cnn(c1)C[*:1]
CC(C)Cn1cc(NC(=O)NNc2ncccc2Cl)cn1 Clc1cccnc1[*:1] CC(C)Cn1cc(cn1)NC(=O)NN[*:1]
CCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C CCS(=O)(=O)[*:1] C[NH2+][C@H]1c2cc(ccc2CC[C@H]1[*:1])OC
Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c([C@H](C)O)cc1F C[C@H](O)[*:1] Cc1cc(c(cc1F)[*:1])N1CC[C@H](C1)[NH+]1CCCC1
O=C1C[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](C2C(=O)C[C@H](CC=2N1)[*:1])c1cccc(F)c1
O=C1C[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 Fc1cccc(c1)[*:1] O=C1C[C@H](C2C(=O)C[C@@H](CC=2N1)c1ccc(F)cc1)[*:1]
C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1cscn1 c1nc(cs1)[*:1] C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC[*:1]
C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1cscn1 c1nc(cs1)C[*:1] C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N[*:1]
COc1cccc(S(=O)(=O)NCC#CCOc2ccccc2Cl)c1 Clc1ccccc1O[*:1] COc1cccc(c1)S(=O)(=O)NCC#CC[*:1]
COc1cccc(S(=O)(=O)NCC#CCOc2ccccc2Cl)c1 COc1cccc(c1)[*:1] O=S(=O)(NCC#CCOc1ccccc1Cl)[*:1]
COc1cccc(S(=O)(=O)NCC#CCOc2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1cccc(c1)S(=O)(=O)NCC#CCO[*:1]
COC(=O)C[C@@H]1CCCCN1c1nc(Br)cs1 COC(=O)[*:1] Brc1csc(n1)N1CCCC[C@H]1C[*:1]
COC(=O)C[C@@H]1CCCCN1c1nc(Br)cs1 COC(=O)C[*:1] Brc1csc(n1)N1CCCC[C@H]1[*:1]
CCC(=O)N(C)c1ccccc1C(=O)N1CCN(C(=O)C2CCCC2)CC1 CCC(=O)N(C)[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)C(=O)C1CCCC1
CCC(=O)N(C)c1ccccc1C(=O)N1CCN(C(=O)C2CCCC2)CC1 C1CCC(C1)[*:1] CCC(=O)N(C)c1ccccc1C(=O)N1CCN(CC1)C(=O)[*:1]
CN(c1cc(Br)ccc1C[NH3+])C1CCCC1 C1CCC(C1)[*:1] CN(c1cc(Br)ccc1C[NH3+])[*:1]
O=C1COc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3F)c(Cl)cc2N1 Fc1ccccc1[*:1] O=C1COc2cc(NC(=O)[C@@H]3C[C@H]3[*:1])c(Cl)cc2N1
O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 O=C(Nc1ccccc1)N[*:1] O=S(=O)(Nc1cccc(c1)[*:1])c1ccc2OCCCOc2c1
O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NS(=O)(=O)c1ccc2OCCCOc2c1)N[*:1]
CNC(=O)c1cccc(NC(=O)NCC(C)(C)c2cccc(C)c2)c1C CNC(=O)[*:1] Cc1cccc(c1)C(C)(C)CNC(=O)Nc1cccc(c1C)[*:1]
CNC(=O)c1cccc(NC(=O)NCC(C)(C)c2cccc(C)c2)c1C Cc1cccc(c1)[*:1] CNC(=O)c1cccc(NC(=O)NCC(C)(C)[*:1])c1C
CCCNc1nc([C@@H]2C[NH+]3CCN2CC3)[nH+]c(C)c1Br CCC[*:1] Cc1[nH+]c(nc(N[*:1])c1Br)[C@@H]1C[NH+]2CCN1CC2
CCCNc1nc([C@@H]2C[NH+]3CCN2CC3)[nH+]c(C)c1Br CCCN[*:1] Cc1[nH+]c(nc(c1Br)[*:1])[C@@H]1C[NH+]2CCN1CC2
COCCn1ccc2ccc(NC(=O)C(=O)N3CCC4(CCCC4)C3)cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)C(=O)N1CCC2(CCCC2)C1
COCCn1ccc2ccc(NC(=O)C(=O)N3CCC4(CCCC4)C3)cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])C(=O)N1CCC2(CCCC2)C1
C[NH+](C)[C@@H](CNCc1cccc(Cl)c1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNCc1cccc(Cl)c1)[*:1]
CO[C@H](C)c1cccc(NC(=O)C(=O)N2C[C@H](C)S[C@H](C)C2)c1 CO[C@H](C)[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C)c(NC(=O)[C@H](C)O/N=C(/N)CN2CCc3ccccc32)c1 c1ccc2c(c1)CCN2[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](C)O/N=C(/N)C[*:1]
Cc1ccc(C)c(NC(=O)[C@H](C)O/N=C(/N)CN2CCc3ccccc32)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](O/N=C(/N)CN1CCc2ccccc21)C(=O)N[*:1]
Cc1ccnc2c1nc(N)n2Cc1cccnc1 c1cncc(c1)[*:1] Cc1ccnc2c1nc(N)n2C[*:1]
C=CCNC(=O)Nc1c[nH]c2ccc(C)cc2c1=O C=CC[*:1] Cc1ccc2[nH]cc(NC(=O)N[*:1])c(=O)c2c1
O=C(NCCC(=O)N1CCCCC1)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NCCC(=O)N1CCCCC1)c1ccnc(c1)O[*:1]
O=C(NCCC(=O)N1CCCCC1)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] O=C(NCCC(=O)N1CCCCC1)c1ccnc(c1)[*:1]
O=C(NCCC(=O)N1CCCCC1)c1ccnc(OC2CCCCC2)c1 O=C(N1CCCCC1)[*:1] O=C(NCC[*:1])c1ccnc(c1)OC1CCCCC1
Cc1ccc(CNC(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)s1 Cc1ccc(s1)[*:1] O=C(NC[*:1])Nc1cnn(c1)CC[NH+]1CCCCC1
Cc1ccc(CNC(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)s1 Cc1ccc(C[*:1])s1 O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N[*:1]
Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N1CCOc3ccc(Cl)cc3C1)C2 O=C(N1CCSCC1)[*:1] Cn1nc(c2C[C@@H](CCc21)N1CCOc2ccc(Cl)cc2C1)[*:1]
CCOc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)NC(=O)CC1(CCCCC1)C[*:1]
CCOc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 O=C([O-])C[*:1] CCOc1ccc(cc1)NC(=O)CC1(CCCCC1)[*:1]
CCOc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 CCO[*:1] O=C([O-])CC1(CCCCC1)CC(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc([C@H](O)[C@@]2(C)CCCO2)cc1 CC(C)[*:1] C[C@@]1(CCCO1)[C@@H](O)c1ccc(cc1)[*:1]
COCc1ccccc1NC(=O)C(=O)NCC12CC3CC(CC(C3)C1)C2 COC[*:1] O=C(NCC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)C1 c1coc(c1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1ccc(cc1)NC(=O)NC[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)C1 c1coc(c1)C[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1ccc(cc1)NC(=O)N[*:1]
CS(=O)(=O)c1cccc(NCCc2ccc(F)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CS(=O)(=O)c1cccc(NCCc2ccc(F)cc2)c1[*:1]
CS(=O)(=O)c1cccc(NCCc2ccc(F)cc2)c1[N+](=O)[O-] Fc1ccc(cc1)[*:1] CS(=O)(=O)c1cccc(NCC[*:1])c1[N+](=O)[O-]
CS(=O)(=O)c1cccc(NCCc2ccc(F)cc2)c1[N+](=O)[O-] CS(=O)(=O)[*:1] O=[N+]([O-])c1c(cccc1[*:1])NCCc1ccc(F)cc1
Cc1cc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)nn1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1cc(nn1[*:1])NC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Cc1cc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)nn1Cc1ccc(F)cc1 NS(=O)(=O)[*:1] Cc1cc(nn1Cc1ccc(F)cc1)NC(=O)c1cc(c(Cl)cc1Cl)[*:1]
Cc1cc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)nn1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(nn1C[*:1])NC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Cc1cccc(NC(=O)CN(C)C(=O)C=C(C2CC2)C2CC2)c1C Cc1cccc(c1C)[*:1] CN(CC(=O)N[*:1])C(=O)C=C(C1CC1)C1CC1
Cc1cccc(NC(=O)CN(C)C(=O)C=C(C2CC2)C2CC2)c1C C1CC1[*:1] Cc1cccc(NC(=O)CN(C)C(=O)C=C(C2CC2)[*:1])c1C
O=C(Nc1ccccc1F)N1CCC[C@H]1c1ccsc1 c1cc(cs1)[*:1] O=C(Nc1ccccc1F)N1CCC[C@@H]1[*:1]
O=Cc1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=Cc1cc(ccc1SCc1ccc(Cl)cc1)[*:1]
CS(=O)(=O)Nc1cccc(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 CS(=O)(=O)N[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cccc(c1)[*:1]
CC(=O)NC1=NN(C(C)=O)[C@](C)(CCS(=O)(=O)c2ccc(C)cc2)S1 Cc1ccc(cc1)[*:1] CC(=O)NC1=NN(C(C)=O)[C@](C)(CCS(=O)(=O)[*:1])S1
CCC(CC)N(C)C(=O)c1c[nH]c2ccc(F)cc12 CCC(CC)[*:1] CN(C(=O)c1c[nH]c2ccc(F)cc12)[*:1]
O=C(NCC1(C2CC2)CCC1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 C1CC1[*:1] O=C(NCC1(CCC1)[*:1])C(=O)Nc1ccc2[nH]c(nc2c1)C(F)F
O=C(NCC1(C2CC2)CCC1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 C1CC(C1)(C1CC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2[nH]c(nc2c1)C(F)F
O=C(NCC1(C2CC2)CCC1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 C1CC(C1)(C[*:1])C1CC1 O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)C(=O)N[*:1]
O=C(NCC1(C2CC2)CCC1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] O=C(NCC1(CCC1)C1CC1)C(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
Cc1cc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)cc(S(N)(=O)=O)c1C Fc1ccc(cc1Cl)[*:1] Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)N[C@@H](C)[*:1]
Cc1cc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1
C[C@H](NC(=O)NC[C@@H](O)c1ccc(F)cc1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)NC[C@@H](O)c1ccc(F)cc1)c1cccc(c1)[*:1]
C[C@H](NC(=O)NC[C@@H](O)c1ccc(F)cc1)c1cccc(-n2cccn2)c1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)NC[C@@H](O)[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)NC[C@@H](O)c1ccc(F)cc1)c1cccc(-n2cccn2)c1 O[C@@H](c1ccc(F)cc1)[*:1] C[C@H](NC(=O)NC[*:1])c1cccc(c1)-n1cccn1
Cc1nc(-c2cccs2)sc1C(=O)OCc1nc(N)nc(N(C)C)n1 CN(C)[*:1] Cc1nc(sc1C(=O)OCc1nc(N)nc(n1)[*:1])-c1cccs1
Cc1nc(-c2cccs2)sc1C(=O)OCc1nc(N)nc(N(C)C)n1 c1csc(c1)[*:1] Cc1nc(sc1C(=O)OCc1nc(N)nc(n1)N(C)C)[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(C)=O)cc2)C1 CCCCNC(=O)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(C)=O)cc2)C1 CC(=O)N[*:1] CCCCNC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(C)=O)cc2)C1 CCCC[*:1] CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(C)=O)cc2)C1 CCC[*:1] CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
CC[C@@H]([NH3+])Cc1nc(C)ccc1O[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]([NH3+])Cc1nc(C)ccc1O[C@@H](C)[*:1]
CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Nc3ccccc3OC)cc21 COc1ccccc1[*:1] CCCS(=O)(=O)N1CCCc2ccc(cc21)NC(=O)N[*:1]
CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Nc3ccccc3OC)cc21 CCC[*:1] COc1ccccc1NC(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)[*:1]
Cc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccccc1NC(=O)C1CCN(CC1)C(=O)c1ccco1
Cc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccccc1NC(=O)C1CCN(CC1)C(=O)c1ccco1
Cc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 Cc1ccc(cc1)CNC(=O)[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)C(=O)c1ccco1
Cc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CNC(=O)c1ccccc1NC(=O)C1CCN(CC1)C(=O)[*:1]
CC[NH2+]CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] CC[NH2+]CC#CCOC(=O)[C@@](O)(C1CCCCC1)[*:1]
CC[NH2+]CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] CC[NH2+]CC#CCOC(=O)[C@@](O)(c1ccccc1)[*:1]
COc1ccc(C(=O)COC(=O)c2cccs2)cc1Br c1csc(c1)[*:1] COc1ccc(cc1Br)C(=O)COC(=O)[*:1]
CCOC(=O)C1(C)CCN(C(=O)CCc2cccc(Cl)c2Cl)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)CCc1cccc(Cl)c1Cl)[*:1]
CCOC(=O)C1(C)CCN(C(=O)CCc2cccc(Cl)c2Cl)CC1 Clc1cccc(c1Cl)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)CC[*:1]
O=S(=O)(NC1CCCC1)c1ccc(-c2nnc(C3CCCC3)o2)o1 C1CCC(C1)[*:1] O=S(=O)(NC1CCCC1)c1ccc(o1)-c1nnc(o1)[*:1]
O=S(=O)(NC1CCCC1)c1ccc(-c2nnc(C3CCCC3)o2)o1 C1CCC(C1)[*:1] O=S(=O)(N[*:1])c1ccc(o1)-c1nnc(o1)C1CCCC1
CCOc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 c1csc(c1)[*:1] CCOc1cccc(c1)[C@@H]1NC(=O)N[C@@](O)([C@@H]1C(=O)[*:1])C(F)(F)F
CCOc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 O=C(c1cccs1)[*:1] CCOc1cccc(c1)[C@@H]1NC(=O)N[C@@](O)([C@H]1[*:1])C(F)(F)F
CCOc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 CCOc1cccc(c1)[*:1] O=C1N[C@H]([C@@H](C(=O)c2cccs2)[C@](O)(N1)C(F)(F)F)[*:1]
CCOc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 CCO[*:1] O=C1N[C@@H](c2cccc(c2)[*:1])[C@@H](C(=O)c2cccs2)[C@](O)(N1)C(F)(F)F
CCOc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 FC(F)(F)[*:1] CCOc1cccc(c1)[C@@H]1NC(=O)N[C@](O)([C@@H]1C(=O)c1cccs1)[*:1]
COc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)cc1C c1cncc(c1)OC[*:1] COc1ccc(cc1C)S(=O)(=O)NCC#C[*:1]
COc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)cc1C c1cncc(c1)O[*:1] COc1ccc(cc1C)S(=O)(=O)NCC#CC[*:1]
COc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)cc1C c1cncc(c1)[*:1] COc1ccc(cc1C)S(=O)(=O)NCC#CCO[*:1]
O=S(=O)(Cc1ccon1)NC[C@@H]1Cc2ccccc2O1 c1cc(no1)[*:1] O=S(=O)(C[*:1])NC[C@@H]1Cc2ccccc2O1
O=S(=O)(Cc1ccon1)NC[C@@H]1Cc2ccccc2O1 c1cc(C[*:1])no1 O=S(=O)(NC[C@@H]1Cc2ccccc2O1)[*:1]
Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C O=[N+]([O-])[*:1] Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(cc2)[*:1])n1C
Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C Cc1c(Cl)cccc1[*:1] Cn1c(nnc1-c1ccc(cc1)[N+](=O)[O-])SCC(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C O=[N+]([O-])c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)CSc1nnc(n1C)[*:1]
C[C@@H](SCC(=O)N(C)c1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] C[C@@H](SCC(=O)N(C)[*:1])c1nc2ccccc2[nH]1
COC(=O)C[C@H]1CSCCN1Cc1cnc(-c2ccc(C)cc2)s1 COC(=O)C[*:1] Cc1ccc(cc1)-c1ncc(CN2CCSC[C@@H]2[*:1])s1
COC(=O)C[C@H]1CSCCN1Cc1cnc(-c2ccc(C)cc2)s1 Cc1ccc(cc1)[*:1] COC(=O)C[C@H]1CSCCN1Cc1cnc(s1)[*:1]
COC(=O)C[C@H]1CSCCN1Cc1cnc(-c2ccc(C)cc2)s1 COC(=O)[*:1] Cc1ccc(cc1)-c1ncc(CN2CCSC[C@@H]2C[*:1])s1
C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1Cl Clc1ccc(cc1)C[*:1] C[C@@H](NC(=O)CS(=O)(=O)[*:1])c1ccccc1Cl
C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1)[*:1]
C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1Cl Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)CS(=O)(=O)C[*:1])c1ccccc1Cl
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CN(C)C(=O)c1cccc(C)c1)n2C Cc1cccc(c1)[*:1] CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CN(C)C(=O)[*:1])n2C
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CN(C)C(=O)c1cccc(C)c1)n2C CCN(CC)S(=O)(=O)[*:1] Cc1cccc(c1)C(=O)N(C)Cc1nc2cc(ccc2n1C)[*:1]
N#Cc1c(N2CCOCC2)cc[nH]/c1=N\S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] N#Cc1c(cc[nH]/c1=N\S(=O)(=O)[*:1])N1CCOCC1
N#Cc1c(N2CCOCC2)cc[nH]/c1=N\S(=O)(=O)c1ccccc1 C1CN(CCO1)[*:1] N#Cc1c(cc[nH]/c1=N\S(=O)(=O)c1ccccc1)[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CC1=O C1CCc2nnc(n2CC1)[*:1] COc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CC1=O COc1ccc(Cl)cc1[*:1] O=C(Nc1cccc(c1)-c1nnc2CCCCCn21)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccoc1 c1cc(co1)[*:1] C[C@@H]([NH2+][C@@H]1CCCNC1=O)[*:1]
CSCc1nc2ccccc2n1CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 C1CC1[*:1] CSCc1nc2ccccc2n1CC(=O)N([C@H]1CCCc2ccccc21)[*:1]
CSCc1nc2ccccc2n1CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 CSC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N(C1CC1)[C@H]1CCCc2ccccc21
C[C@@H]1CCN(C(=O)NCCc2cccnc2)C[C@@H](C)C1 c1cncc(c1)[*:1] C[C@@H]1CCN(C[C@@H](C)C1)C(=O)NCC[*:1]
C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)[C@@H]1CCCN1C(=O)N[*:1]
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])N1CCc2ccccc2C1
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 O=[N+]([O-])[*:1] O=C(CN(c1ccc(cc1)[*:1])S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 c1ccc(cc1)[*:1] O=C(CN(c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)[*:1])N1CCc2ccccc2C1
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)CC(=O)NC(C)C)C2)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)N(C)CC(=O)N[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)CC(=O)NC(C)C)C2)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)N(C)C[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)CC(=O)NC(C)C)C2)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)CN(C)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)CC(=O)NC(C)C)C2)cc1 CC(C)NC(=O)C[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)N(C)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)cn2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCc1cc(Cl)c2OCCCOc2c1)c1ccc(nc1)[*:1]
CN(CCOc1ccccc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 c1ccc2sc(nc2c1)[*:1] CN(CCOc1ccccc1)C(=O)c1ccc(o1)[*:1]
CN(CCOc1ccccc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 c1ccc(cc1)OCC[*:1] CN(C(=O)c1ccc(o1)-c1nc2ccccc2s1)[*:1]
CN(CCOc1ccccc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)c1ccc(o1)-c1nc2ccccc2s1
CN(CCOc1ccccc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 c1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)c1ccc(o1)-c1nc2ccccc2s1
CN(CCOc1ccccc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 c1ccc(cc1)OC[*:1] CN(C[*:1])C(=O)c1ccc(o1)-c1nc2ccccc2s1
Cc1sc2ncn(CCC(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)c(=O)c2c1C O=c1cc(nc2sccn12)[*:1] Cc1sc2ncn(CCC(=O)N3CCN(CC3)C[*:1])c(=O)c2c1C
Cc1sc2ncn(CCC(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)c(=O)c2c1C O=c1cc(C[*:1])nc2sccn12 Cc1sc2ncn(CCC(=O)N3CCN(CC3)[*:1])c(=O)c2c1C
Cc1ccc(C(F)(F)F)cc1NC(=O)C[C@H]1OC(=O)c2ccccc21 FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)C[C@H]1OC(=O)c2ccccc21)[*:1]
COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 COc1ccccc1C(=O)Nc1cccc(c1)[*:1]
COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] COc1ccccc1C(=O)Nc1cccc(c1)NC(=O)[*:1]
O=[N+]([O-])c1ccc(-c2nc3n(n2)[C@@H]2CS(=O)(=O)C[C@@H]2S3)cc1 O=[N+]([O-])[*:1] O=S1(=O)C[C@@H]2Sc3nc(nn3[C@@H]2C1)-c1ccc(cc1)[*:1]
COc1ccc(/C=C\C(=O)N2CCN(c3nccn3-c3ccccc3F)CC2)cc1OC Fc1ccccc1[*:1] COc1ccc(/C=C\C(=O)N2CCN(CC2)c2nccn2[*:1])cc1OC
COc1ccc(/C=C\C(=O)N2CCN(c3nccn3-c3ccccc3F)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C=C[*:1])N1CCN(CC1)c1nccn1-c1ccccc1F
Cn1ccnc1[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)c1ccc(nc1)Oc1cccc(Br)c1)[*:1]
Cn1ccnc1[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc(Cl)cc1 Cn1ccnc1[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)[*:1])c1ccc(nc1)Oc1cccc(Br)c1
Cn1ccnc1[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc(Cl)cc1 Brc1cccc(c1)O[*:1] Cn1ccnc1[C@@H](NC(=O)c1ccc(nc1)[*:1])c1ccc(Cl)cc1
Cn1ccnc1[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccc(Cl)cc1 Brc1cccc(c1)[*:1] Cn1ccnc1[C@@H](NC(=O)c1ccc(nc1)O[*:1])c1ccc(Cl)cc1
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(Cl)cc5)CC4)[C@H]3[C@@H]3O[C@@]132 Clc1ccc(cc1)[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(CC4)[*:1])[C@H]3[C@@H]3O[C@@]132
CN(C(=O)NCCNC(=O)c1ccc(Cl)cc1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)NCCNC(=O)c1ccc(Cl)cc1)[*:1]
CN(C(=O)NCCNC(=O)c1ccc(Cl)cc1)C1CCOCC1 Clc1ccc(cc1)[*:1] CN(C(=O)NCCNC(=O)[*:1])C1CCOCC1
O=C(c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)N1CCSCC1 O=C(N1CCSCC1)[*:1] FC(F)(F)c1ccc(cc1)-c1cn2c(csc2n1)[*:1]
O=C(c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)N1CCSCC1 FC(F)(F)[*:1] O=C(c1csc2nc(cn12)-c1ccc(cc1)[*:1])N1CCSCC1
N#CCCC[NH+]=C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] N#CCCC[NH+]=C(c1ccccc1)[*:1]
N#CCCC[NH+]=C(c1ccccc1)c1ccccc1 N#CCC[*:1] c1ccc(cc1)C(=[NH+]C[*:1])c1ccccc1
N#CCCC[NH+]=C(c1ccccc1)c1ccccc1 N#CC[*:1] c1ccc(cc1)C(=[NH+]CC[*:1])c1ccccc1
COC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 FC(F)(F)[*:1] COC(=O)c1cc2nc3-c4ccccc4CCc3c(n2n1)[*:1]
COC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 COC(=O)[*:1] FC(F)(F)c1c2CCc3ccccc3-c2nc2cc(nn12)[*:1]
CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2CC)CC1 CCC(=O)N1CCN(CC1)[*:1] CCn1c(C[*:1])nc2cc(ccc21)NC(=O)c1ccc(cc1)[N+](=O)[O-]
CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2CC)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] CCC(=O)N1CCN(CC1)Cc1nc2cc(ccc2n1CC)NC(=O)[*:1]
CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2CC)CC1 CCC(=O)N1CCN(CC1)C[*:1] CCn1c(nc2cc(ccc21)NC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2CC)CC1 O=[N+]([O-])[*:1] CCC(=O)N1CCN(CC1)Cc1nc2cc(ccc2n1CC)NC(=O)c1ccc(cc1)[*:1]
COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 COC(=O)C[*:1] C[C@@H](N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] COC(=O)C[C@@H](C)N1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 COC(=O)C[C@@H](C)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 COC(=O)[*:1] C[C@H](C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
CCCCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 Cc1cccc(c1)[*:1] CCCCn1c(C[NH+]2CCCC2)nc2cc(ccc21)NC(=O)[*:1]
CCCCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 CCC[*:1] Cc1cccc(c1)C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2C[*:1]
CCCCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 CCCC[*:1] Cc1cccc(c1)C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2[*:1]
CCC(CC)N(C)Cc1c(F)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCC(CC)N(C)Cc1c(F)cccc1[*:1]
CCC(CC)N(C)Cc1c(F)cccc1[N+](=O)[O-] CCC(CC)[*:1] CN(Cc1c(F)cccc1[N+](=O)[O-])[*:1]
CC(C)N(C(=O)Cc1cccc(OCC#N)c1)c1ccc(F)cc1 N#CCO[*:1] CC(C)N(C(=O)Cc1cccc(c1)[*:1])c1ccc(F)cc1
CC(C)N(C(=O)Cc1cccc(OCC#N)c1)c1ccc(F)cc1 CC(C)[*:1] N#CCOc1cccc(c1)CC(=O)N(c1ccc(F)cc1)[*:1]
CC(C)N(C(=O)Cc1cccc(OCC#N)c1)c1ccc(F)cc1 N#CC[*:1] CC(C)N(C(=O)Cc1cccc(c1)O[*:1])c1ccc(F)cc1
CC(C)N(C(=O)Cc1cccc(OCC#N)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)N(C(=O)Cc1cccc(c1)OCC#N)[*:1]
Cc1c(C(=O)N[C@H]2CCc3c(O)cccc32)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)N[C@H]1CCc2c(O)cccc21
C[C@@H](NC(=O)c1ccccc1)C(=O)NCC(C)(C)[NH+](C)C c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NCC(C)(C)[NH+](C)C
CCCOc1ccc([C@H]2c3c(nc(N4C[C@@H](C)C[C@@H](C)C4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 CCC[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nc2NC(=O)[C@@H](C#N)[C@@H](c3ccc(cc3)O[*:1])c2c(=O)[nH]1
CCCOc1ccc([C@H]2c3c(nc(N4C[C@@H](C)C[C@@H](C)C4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 CCCO[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nc2NC(=O)[C@@H](C#N)[C@@H](c3ccc(cc3)[*:1])c2c(=O)[nH]1
CCCOc1ccc([C@H]2c3c(nc(N4C[C@@H](C)C[C@@H](C)C4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 CCCOc1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nc2NC(=O)[C@@H](C#N)[C@H](c2c(=O)[nH]1)[*:1]
Cc1cc(OCc2ncn(-c3ccccc3)n2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])OCc1ncn(n1)-c1ccccc1
Cc1cc(OCc2ncn(-c3ccccc3)n2)ccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])OCc1ncn(n1)[*:1]
C[C@@]1(C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)C1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1
C[C@@]1(C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])C1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1
C[C@@]1(C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O c1cc2cc(ccc2[nH]1)[*:1] C[C@]1(NC(=O)N(Cc2ccc(F)cc2)C1=O)C1CCN(CC1)C(=O)[*:1]
CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCC[C@@H](C)C1 CC(=O)N[*:1] C[C@@H]1CCC[C@@H](CNC(=O)CNC(=O)C[*:1])C1
CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCC[C@@H](C)C1 CC(=O)NC[*:1] C[C@@H]1CCC[C@@H](CNC(=O)CNC(=O)[*:1])C1
C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](N1CCOCC1)[*:1]
C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCOCC1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=S)N[*:1])[C@@H](c1ccccc1)N1CCOCC1
C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1ccccc1)[*:1]
CCN(CC1CC[NH2+]CC1)C(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(CC1CC[NH2+]CC1)C(=O)c1ccccc1[*:1]
C[C@H](NC(=O)C1CCC1)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 O=C(N[*:1])C1CCC1 C[C@H](C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C)[*:1]
C[C@H](NC(=O)C1CCC1)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 C1CC(C1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C
C[C@H](NC(=O)C1CCC1)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@H](NC(=O)C1CCC1)C(=O)Nc1ccc(F)c(c1)[*:1]
O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1F
O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 Fc1ccccc1[*:1] O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1F
COC(=O)[C@H](CO)NC(=O)c1cccc(CCl)c1 COC(=O)[*:1] O=C(N[C@@H](CO)[*:1])c1cccc(c1)CCl
Cc1c(CN2CCNC(=O)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] c1csc(c1)[*:1] Cc1c(cccc1[N+](=O)[O-])CN1CCNC(=O)[C@H]1[*:1]
Cc1c(CN2CCNC(=O)[C@@H]2c2cccs2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])CN1CCNC(=O)[C@@H]1c1cccs1
O=C(Nc1ccc(Cc2nnc(-c3ccccc3)o2)cc1)c1cc2ccccc2oc1=O c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)Cc1nnc(o1)[*:1])c1cc2ccccc2oc1=O
CC(C)Cn1c(SCc2ccc(Br)cc2)nc([O-])cc1=O Brc1ccc(cc1)[*:1] CC(C)Cn1c(nc([O-])cc1=O)SC[*:1]
CC(C)Cn1c(SCc2ccc(Br)cc2)nc([O-])cc1=O CC(C)C[*:1] O=c1cc([O-])nc(SCc2ccc(Br)cc2)n1[*:1]
CC(C)Cn1c(SCc2ccc(Br)cc2)nc([O-])cc1=O CC(C)[*:1] O=c1cc([O-])nc(SCc2ccc(Br)cc2)n1C[*:1]
O=C(NCCCN1CCCCCC1=O)Nc1ccnn1Cc1ccccn1 O=C1CCCCCN1[*:1] O=C(NCCC[*:1])Nc1ccnn1Cc1ccccn1
O=C(NCCCN1CCCCCC1=O)Nc1ccnn1Cc1ccccn1 O=C1CCCCCN1C[*:1] O=C(NCC[*:1])Nc1ccnn1Cc1ccccn1
O=C(NCCCN1CCCCCC1=O)Nc1ccnn1Cc1ccccn1 c1ccc(nc1)[*:1] O=C(NCCCN1CCCCCC1=O)Nc1ccnn1C[*:1]
O=C(NCCCN1CCCCCC1=O)Nc1ccnn1Cc1ccccn1 c1ccc(C[*:1])nc1 O=C(NCCCN1CCCCCC1=O)Nc1ccnn1[*:1]
CCOc1ccc2c(c1)CN(C(=O)N[C@H](C)CC)CC2 CC[C@@H](C)[*:1] CCOc1ccc2CCN(Cc2c1)C(=O)N[*:1]
CCOc1ccc2c(c1)CN(C(=O)N[C@H](C)CC)CC2 CCO[*:1] CC[C@@H](C)NC(=O)N1CCc2ccc(cc2C1)[*:1]
CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1Cc1cccs1 c1csc(c1)C[*:1] CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1[*:1]
CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1Cc1cccs1 c1csc(c1)[*:1] CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1C[*:1]
NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 NNC(=O)[*:1] Clc1ccc(-c2cc(c3ccccc3n2)[*:1])c(Cl)c1
CCOc1ccc(CN(C)C(=O)N[C@@H](C)c2ncc(C)s2)cc1 CCO[*:1] Cc1cnc(s1)[C@H](C)NC(=O)N(C)Cc1ccc(cc1)[*:1]
CCOc1ccc(CN(C)C(=O)N[C@@H](C)c2ncc(C)s2)cc1 Cc1cnc(s1)[*:1] CCOc1ccc(cc1)CN(C)C(=O)N[C@@H](C)[*:1]
O=C(Nc1ccccc1C(=O)NCCC1=CCCCC1)c1ccco1 c1coc(c1)[*:1] O=C(NCCC1=CCCCC1)c1ccccc1NC(=O)[*:1]
O=C(Nc1ccccc1C(=O)NCCC1=CCCCC1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(NCCC1=CCCCC1)c1ccccc1[*:1]
Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] Cc1cc(ccc1C(=O)O[C@H](C)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C)[C@H]1CCOC1 O=[N+]([O-])[*:1] Cc1cc(ccc1C(=O)O[C@H](C)[C@H]1CCOC1)[*:1]
CCCN(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)c1ccccc1 CCC[*:1] Cc1cccc2cc(CN(S(=O)(=O)c3ccccc3)[*:1])c(=O)[nH]c12
CCCN(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCCN(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)[*:1]
O=c1[nH]c(CSc2ccccn2)nc2sc3c(c12)CCC3 c1ccc(nc1)S[*:1] O=c1[nH]c(C[*:1])nc2sc3CCCc3c12
O=c1[nH]c(CSc2ccccn2)nc2sc3c(c12)CCC3 c1ccc(nc1)[*:1] O=c1[nH]c(CS[*:1])nc2sc3CCCc3c12
O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2csc3c2CCCO3)C1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1csc2OCCCc12
O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2csc3c2CCCO3)C1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1csc2OCCCc12
COc1ccc(C)cc1N1C[C@H](C(=O)O[C@@H](C)C(=O)N2CCCC2)CC1=O O=C(N1CCCC1)[*:1] COc1ccc(C)cc1N1C[C@@H](CC1=O)C(=O)O[C@@H](C)[*:1]
COc1ccc(C)cc1N1C[C@H](C(=O)O[C@@H](C)C(=O)N2CCCC2)CC1=O C[C@@H](C(=O)N1CCCC1)[*:1] COc1ccc(C)cc1N1C[C@@H](CC1=O)C(=O)O[*:1]
COc1ccc(C)cc1N1C[C@H](C(=O)O[C@@H](C)C(=O)N2CCCC2)CC1=O COc1ccc(C)cc1[*:1] C[C@H](OC(=O)[C@@H]1CC(=O)N(C1)[*:1])C(=O)N1CCCC1
CC[C@H](NC(=O)C1(CC(C)C)CCCC1)C(N)=S CC(C)C[*:1] CC[C@H](NC(=O)C1(CCCC1)[*:1])C(N)=S
CC[C@H](NC(=O)C1(CC(C)C)CCCC1)C(N)=S NC(=S)[*:1] CC[C@H](NC(=O)C1(CCCC1)CC(C)C)[*:1]
CC[C@H](NC(=O)C1(CC(C)C)CCCC1)C(N)=S CC(C)[*:1] CC[C@H](NC(=O)C1(CCCC1)C[*:1])C(N)=S
CC[C@H](NC(=O)C1(CC(C)C)CCCC1)C(N)=S CC[C@H](C(N)=S)[*:1] CC(C)CC1(CCCC1)C(=O)N[*:1]
Cn1cc(C[C@H]2CCN(C(=O)c3c[nH]c4nccc(Cl)c34)C2)cn1 Cn1cc(cn1)[*:1] O=C(c1c[nH]c2nccc(Cl)c12)N1CC[C@@H](C1)C[*:1]
Cn1cc(C[C@H]2CCN(C(=O)c3c[nH]c4nccc(Cl)c34)C2)cn1 Cn1cc(cn1)C[*:1] O=C(c1c[nH]c2nccc(Cl)c12)N1CC[C@@H](C1)[*:1]
COc1ncccc1C(=O)OCCCn1cccn1 c1cnn(c1)[*:1] COc1ncccc1C(=O)OCCC[*:1]
COc1ncccc1C(=O)OCCCn1cccn1 c1cnn(c1)C[*:1] COc1ncccc1C(=O)OCC[*:1]
O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC[C@@H]1CCCO1)[*:1]
CCOC(=O)[C@H](CC)Sc1ncnc2sccc12 CCOC(=O)[*:1] CC[C@H](Sc1ncnc2sccc12)[*:1]
CC[C@H](C)[C@@H]([NH3+])c1ccc2c(c1)OCO2 CC[C@H](C)[*:1] [NH3+][C@@H](c1ccc2OCOc2c1)[*:1]
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)cc1 CC(=O)N[*:1] CC(=O)N1CCCSc2ccc(cc21)S(=O)(=O)Nc1ccc(cc1)[*:1]
C[C@H](c1ccco1)N(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](c1ccco1)N(C(=O)CN1C(=O)c2ccccc2C1=O)[*:1]
C[C@H](c1ccco1)N(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccn1 c1coc(c1)[*:1] C[C@H](N(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccn1)[*:1]
CCCN(CC#N)C(=O)C[C@@H](C)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] CCCN(CC#N)C(=O)C[C@@H](C)NC(=O)[*:1]
CCCN(CC#N)C(=O)C[C@@H](C)NC(=O)C1CCCCC1 CCC[*:1] C[C@H](CC(=O)N(CC#N)[*:1])NC(=O)C1CCCCC1
CCCN(CC#N)C(=O)C[C@@H](C)NC(=O)C1CCCCC1 N#CC[*:1] CCCN(C(=O)C[C@@H](C)NC(=O)C1CCCCC1)[*:1]
C[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(C#N)cc1 c1ccc(nc1)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1ccc(C#N)cc1
CC(=O)Nc1ccc(C(=O)CSc2nccc(=O)[nH]2)cc1 CC(=O)N[*:1] O=C(CSc1nccc(=O)[nH]1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)CSc2nccc(=O)[nH]2)cc1 O=c1ccnc([nH]1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)CS[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2ncn[nH]2)C1 c1n[nH]c(n1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](C)S[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2ncn[nH]2)C1 c1n[nH]c(n1)S[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](C)[*:1]
O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(s1)[*:1]
COc1cccc(C(=O)C[NH+]2CCC(Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2)c1 N#Cc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)C[NH+]1CCC(CC1)Oc1ccc(cc1)[*:1]
COc1cccc(C(=O)C[NH+]2CCC(Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2)c1 COc1cccc(c1)[*:1] N#Cc1ccc(cc1)-c1ccc(cc1)OC1CC[NH+](CC1)CC(=O)[*:1]
COc1cccc(C(=O)C[NH+]2CCC(Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2)c1 COc1cccc(c1)C(=O)[*:1] N#Cc1ccc(cc1)-c1ccc(cc1)OC1CC[NH+](CC1)C[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 Clc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)Cc1c[nH]c2ccccc12
O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 Clc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)C(=O)Cc1c[nH]c2ccccc12
O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 Clc1ccc(cc1)CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)Cc1c[nH]c2ccccc12
COC(=O)c1ccc(C(=O)NC[C@H](O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] COC(=O)c1ccc(cc1)C(=O)NC[C@H](O)[*:1]
COC(=O)c1ccc(C(=O)NC[C@H](O)C2CCCCC2)cc1 COC(=O)[*:1] O=C(NC[C@H](O)C1CCCCC1)c1ccc(cc1)[*:1]
CCOC(=O)C[C@@H](C)Sc1nc2cc(Cl)ccc2o1 CCOC(=O)[*:1] C[C@H](C[*:1])Sc1nc2cc(Cl)ccc2o1
CCOC(=O)C[C@@H](C)Sc1nc2cc(Cl)ccc2o1 CCOC(=O)C[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2o1)[*:1]
CCc1nn(C)c(NCc2ccc(O)c(Br)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(NCc2ccc(O)c(Br)c2)c1[*:1]
N#Cc1ccc(NC(=O)CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CCCC(=O)N1CCN(CC1)c1ccc(F)cc1)N[*:1]
N#Cc1ccc(NC(=O)CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)CCCC(=O)N1CCN(CC1)[*:1]
CCCN(CCC)c1ccc(F)cc1[C@@H](C)[NH2+]C CCC[*:1] CCCN(c1ccc(F)cc1[C@@H](C)[NH2+]C)[*:1]
CCCNC(=O)C(=O)NCC1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] CCCNC(=O)C(=O)NCC1CCN(CC1)[*:1]
CCCNC(=O)C(=O)NCC1CCN(c2cnccn2)CC1 CCC[*:1] O=C(NCC1CCN(CC1)c1cnccn1)C(=O)N[*:1]
COc1ccccc1-c1nc(Cn2cnc3ccccc3c2=O)no1 COc1ccccc1[*:1] O=c1c2ccccc2ncn1Cc1noc(n1)[*:1]
O=C(OCCN1C(=O)c2ccccc2C1=O)[C@H]1C[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] O=C(OCCN1C(=O)c2ccccc2C1=O)[C@H]1C[C@H]1[*:1]
C[C@H](CCCl)Sc1ncnc2c1CCCC2 ClCC[*:1] C[C@H](Sc1ncnc2CCCCc21)[*:1]
C[C@H](CCCl)Sc1ncnc2c1CCCC2 C[C@H](CCCl)[*:1] c1nc2CCCCc2c(n1)S[*:1]
CC[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1F C1CCN(CC1)[*:1] CC[C@H]([NH2+]CC1(CCOCC1)[*:1])c1ccc(F)cc1F
CC[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC[C@H]([NH2+]CC1(CCOCC1)N1CCCCC1)[*:1]
CCOc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3[nH]1)OCO2 CCO[*:1] N#C/C(=C\c1cc2OCOc2cc1[*:1])c1nc2ccccc2[nH]1
O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@@H](CO)c1ccccc1F Fc1ccccc1[*:1] O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@@H](CO)[*:1]
CC(C)[C@@H]1CN(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CCS1 CC(C)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)N2CCS[C@@H](C2)[*:1])c1=O
CC(C)[C@@H]1CN(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CCS1 Cn1cnn(c1=O)[*:1] CC(C)[C@@H]1CN(CCS1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H]1NCCN(Cc2nc(C(C)(C)C)cs2)C1=O CC(C)(C)[*:1] CC[C@@H]1NCCN(Cc2nc(cs2)[*:1])C1=O
N#Cc1cccc(S(=O)(=O)[N-]Cc2cccnc2Oc2cccc(F)c2)c1 Fc1cccc(c1)O[*:1] N#Cc1cccc(c1)S(=O)(=O)[N-]Cc1cccnc1[*:1]
N#Cc1cccc(S(=O)(=O)[N-]Cc2cccnc2Oc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] N#Cc1cccc(c1)S(=O)(=O)[N-]Cc1cccnc1O[*:1]
N#Cc1cccc(S(=O)(=O)[N-]Cc2cccnc2Oc2cccc(F)c2)c1 N#Cc1cccc(c1)[*:1] O=S(=O)([N-]Cc1cccnc1Oc1cccc(F)c1)[*:1]
CCC[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 CCC[*:1] C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)[*:1]
CN(Cc1ccccc1N1CCOCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)CNC(=O)c1cccc(c1)[*:1]
CN(Cc1ccccc1N1CCOCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 C1CN(CCO1)[*:1] CN(Cc1ccccc1[*:1])C(=O)CNC(=O)c1cccc(c1)[N+](=O)[O-]
CN(Cc1ccccc1N1CCOCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)CNC(=O)[*:1]
C[C@@H]1CCCC[C@@H]1CNC(=O)NC[C@H](O)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H]1CCCC[C@@H]1CNC(=O)NC[C@H](O)[*:1]
C[C@@H]1CCCC[C@@H]1CNC(=O)NC[C@H](O)c1cnn(C)c1 C[C@@H]1CCCC[C@H]1[*:1] Cn1cc(cn1)[C@@H](O)CNC(=O)NC[*:1]
C[C@]1(c2ccccn2)NC(=O)N(CC(=O)N2CCCCCCC2)C1=O c1ccc(nc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCCCCCC2)C1=O)[*:1]
Cc1nc(C[NH+]2CCC(CNC(=O)c3cc(Br)ccc3F)CC2)oc1C Cc1nc(oc1C)[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])c1cc(Br)ccc1F
Cc1nc(C[NH+]2CCC(CNC(=O)c3cc(Br)ccc3F)CC2)oc1C Fc1ccc(Br)cc1[*:1] Cc1nc(C[NH+]2CCC(CC2)CNC(=O)[*:1])oc1C
CCCOc1cc(CNC(=O)c2c(O)cccc2O)ccn1 CCCO[*:1] O=C(NCc1ccnc(c1)[*:1])c1c(O)cccc1O
CCCOc1cc(CNC(=O)c2c(O)cccc2O)ccn1 CCC[*:1] O=C(NCc1ccnc(c1)O[*:1])c1c(O)cccc1O
Cc1ccccc1OC1(C(=O)[O-])CCN(c2ncc(C#N)c(N)n2)CC1 Cc1ccccc1O[*:1] N#Cc1cnc(nc1N)N1CCC(CC1)(C(=O)[O-])[*:1]
Cc1ccccc1OC1(C(=O)[O-])CCN(c2ncc(C#N)c(N)n2)CC1 Cc1ccccc1[*:1] N#Cc1cnc(nc1N)N1CCC(CC1)(O[*:1])C(=O)[O-]
Cc1ccccc1OC1(C(=O)[O-])CCN(c2ncc(C#N)c(N)n2)CC1 O=C([O-])[*:1] Cc1ccccc1OC1(CCN(CC1)c1ncc(C#N)c(N)n1)[*:1]
NC(=O)CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1ccccc1F NC(=O)C[*:1] O=S(=O)(Cc1ccccc1F)c1nnc(-c2cccs2)n1C[*:1]
NC(=O)CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1ccccc1F Fc1ccccc1[*:1] NC(=O)CCn1c(nnc1S(=O)(=O)C[*:1])-c1cccs1
NC(=O)CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1ccccc1F c1csc(c1)[*:1] NC(=O)CCn1c(nnc1[*:1])S(=O)(=O)Cc1ccccc1F
NC(=O)CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1ccccc1F Fc1ccccc1C[*:1] NC(=O)CCn1c(nnc1S(=O)(=O)[*:1])-c1cccs1
NC(=O)CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1ccccc1F NC(=O)[*:1] O=S(=O)(Cc1ccccc1F)c1nnc(-c2cccs2)n1CC[*:1]
NC(=O)CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1ccccc1F NC(=O)CC[*:1] O=S(=O)(Cc1ccccc1F)c1nnc(-c2cccs2)n1[*:1]
Cc1ccc(N[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1c(NC(=O)[C@H](C)N[*:1])c(=O)n(-c2ccccc2)n1C
Cc1ccc(N[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 Cc1ccc(N[*:1])c(C)c1 Cc1c(NC(=O)[C@H](C)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1ccc(N[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(N[C@@H](C)C(=O)Nc2c(C)n(C)n(c2=O)[*:1])c(C)c1
CN(CCCc1cc(-c2ccccc2)n[nH]1)c1cn[nH]c(=O)c1Cl c1ccc(cc1)[*:1] CN(CCCc1cc(n[nH]1)[*:1])c1cn[nH]c(=O)c1Cl
CN(CCCc1cc(-c2ccccc2)n[nH]1)c1cn[nH]c(=O)c1Cl O=c1[nH]ncc(c1Cl)[*:1] CN(CCCc1cc(n[nH]1)-c1ccccc1)[*:1]
COc1ccccc1N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccccc1N1CC[NH+](CCCC(=O)[*:1])CC1
COc1ccccc1N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 COc1ccccc1[*:1] O=C(CCC[NH+]1CCN(CC1)[*:1])c1ccc(F)cc1
C=CCN(c1ccc(C(=O)NC2CCCCC2)cc1)S(C)(=O)=O C1CCC(CC1)[*:1] C=CCN(c1ccc(cc1)C(=O)N[*:1])S(C)(=O)=O
C=CCN(c1ccc(C(=O)NC2CCCCC2)cc1)S(C)(=O)=O C=CC[*:1] CS(=O)(=O)N(c1ccc(cc1)C(=O)NC1CCCCC1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)c2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 CCN(CC)S(=O)(=O)[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1nnc(s1)C12CC3CC(CC(C3)C1)C2
CC(/C=N/n1c(-c2ccccn2)n[nH]c1=S)=C\c1ccccc1 c1ccc(nc1)[*:1] CC(/C=N/n1c(n[nH]c1=S)[*:1])=C\c1ccccc1
CC(/C=N/n1c(-c2ccccn2)n[nH]c1=S)=C\c1ccccc1 c1ccc(cc1)[*:1] CC(/C=N/n1c(n[nH]c1=S)-c1ccccn1)=C[*:1]
CNC(=O)Cc1ccc(NC(=O)NC(C)(C)c2ncc(C)s2)cc1 Cc1cnc(s1)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)NC(C)(C)[*:1]
CNC(=O)Cc1ccc(NC(=O)NC(C)(C)c2ncc(C)s2)cc1 CNC(=O)C[*:1] Cc1cnc(s1)C(C)(C)NC(=O)Nc1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC(=O)NC(C)(C)c2ncc(C)s2)cc1 CNC(=O)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)Nc1ccc(cc1)C[*:1]
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNc1ccccc1 CC(C)[*:1] O=C(NNc1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1F)[*:1]
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NN[*:1]
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNc1ccccc1 Fc1ccccc1[*:1] CC(C)[C@H](NS(=O)(=O)[*:1])C(=O)NNc1ccccc1
O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 FC(F)(F)[*:1] O=C(Nc1nnc(s1)C1CC1)c1ccc(o1)-c1cccc(c1)[*:1]
O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 C1CC1[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(o1)-c1cccc(c1)C(F)(F)F
O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 C1CC1c1nnc(s1)[*:1] O=C(N[*:1])c1ccc(o1)-c1cccc(c1)C(F)(F)F
Nc1ccc(SCc2cc(F)ccc2[N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] Nc1ccc(cc1Cl)SCc1cc(F)ccc1[*:1]
CC[NH2+]Cc1cc(F)c(OC[C@H](C)O)c(F)c1 C[C@H](O)[*:1] CC[NH2+]Cc1cc(F)c(OC[*:1])c(F)c1
CC[NH2+]Cc1cc(F)c(OC[C@H](C)O)c(F)c1 C[C@H](O)C[*:1] CC[NH2+]Cc1cc(F)c(O[*:1])c(F)c1
CC[NH2+]Cc1cc(F)c(OC[C@H](C)O)c(F)c1 C[C@H](O)CO[*:1] CC[NH2+]Cc1cc(F)c(c(F)c1)[*:1]
O=C(CCc1ncc(-c2ccccc2)o1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 c1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])NCC1(CCCC1)c1ccc2OCCOc2c1
O=C(CCc1ncc(-c2ccccc2)o1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 c1cc2OCCOc2cc1[*:1] O=C(CCc1ncc(o1)-c1ccccc1)NCC1(CCCC1)[*:1]
O=C(Cn1ncc2ccccc21)N1CC[C@H](N(C(=O)Cn2ncc3ccccc32)C2CC2)C1 c1ccc2c(c1)cnn2[*:1] O=C(C[*:1])N1CC[C@@H](C1)N(C(=O)Cn1ncc2ccccc21)C1CC1
O=C(Cn1ncc2ccccc21)N1CC[C@H](N(C(=O)Cn2ncc3ccccc32)C2CC2)C1 c1ccc2c(c1)cnn2C[*:1] O=C(Cn1ncc2ccccc21)N(C1CC1)[C@H]1CCN(C1)C(=O)[*:1]
O=C(Cn1ncc2ccccc21)N1CC[C@H](N(C(=O)Cn2ncc3ccccc32)C2CC2)C1 c1ccc2c(c1)cnn2[*:1] O=C(Cn1ncc2ccccc21)N1CC[C@@H](C1)N(C(=O)C[*:1])C1CC1
O=C(Cn1ncc2ccccc21)N1CC[C@H](N(C(=O)Cn2ncc3ccccc32)C2CC2)C1 c1ccc2c(c1)cnn2C[*:1] O=C(Cn1ncc2ccccc21)N1CC[C@@H](C1)N(C(=O)[*:1])C1CC1
O=C(Cn1ncc2ccccc21)N1CC[C@H](N(C(=O)Cn2ncc3ccccc32)C2CC2)C1 C1CC1[*:1] O=C(Cn1ncc2ccccc21)N1CC[C@@H](C1)N(C(=O)Cn1ncc2ccccc21)[*:1]
C[NH2+][C@@H](c1ccccc1OC)[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] C[NH2+][C@@H](c1ccccc1OC)[C@H](C)[*:1]
CC(=O)Nc1cccc(C(=O)OCc2coc(-c3cccs3)n2)c1 CC(=O)N[*:1] O=C(OCc1coc(n1)-c1cccs1)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)OCc2coc(-c3cccs3)n2)c1 c1csc(c1)[*:1] CC(=O)Nc1cccc(c1)C(=O)OCc1coc(n1)[*:1]
CC(=O)N1CCSc2ccc(S(=O)(=O)Nc3ccc(C)c(F)c3)cc21 Cc1ccc(cc1F)[*:1] CC(=O)N1CCSc2ccc(cc21)S(=O)(=O)N[*:1]
CCSCCC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 CCS[*:1] O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C1)C(=O)CC[*:1]
CCSCCC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 CCSC[*:1] O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C1)C(=O)C[*:1]
CCSCCC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 CCSCC[*:1] O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C1)C(=O)[*:1]
CCSCCC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCSCCC(=O)N1CC[C@@H](C1)NC(=O)N[*:1]
Cc1nccn1-c1cc(N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)ncn1 Cc1nccn1[*:1] C[C@H](NC(=O)C1CCN(CC1)c1cc(ncn1)[*:1])c1ccccc1
Cc1nccn1-c1cc(N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)ncn1 C[C@@H](c1ccccc1)[*:1] Cc1nccn1-c1cc(ncn1)N1CCC(CC1)C(=O)N[*:1]
Cc1nccn1-c1cc(N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)ncn1 c1ccc(cc1)[*:1] Cc1nccn1-c1cc(ncn1)N1CCC(CC1)C(=O)N[C@@H](C)[*:1]
CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 FC(F)(F)[*:1] CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(C1)c1ncccc1[*:1]
CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 CCc1cccc(C)c1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ncccc1C(F)(F)F
O=C([O-])[C@H]1CC(=O)N(c2cccc(OC(F)(F)F)c2)C1 FC(F)(F)O[*:1] O=C([O-])[C@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
O=C([O-])[C@H]1CC(=O)N(c2cccc(OC(F)(F)F)c2)C1 FC(F)(F)[*:1] O=C([O-])[C@H]1CC(=O)N(C1)c1cccc(c1)O[*:1]
O=C([O-])[C@H]1CC(=O)N(c2cccc(OC(F)(F)F)c2)C1 O=C([O-])[*:1] O=C1C[C@@H](CN1c1cccc(c1)OC(F)(F)F)[*:1]
Cc1c(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cccc1[N+](=O)[O-] C1C[C@H](CS1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N(C[C@@H]1CCCO1)[*:1]
Cc1c(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cccc1[N+](=O)[O-] C1CO[C@@H](C1)C[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N([C@@H]1CCSC1)[*:1]
Cc1c(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cccc1[N+](=O)[O-] C1CO[C@@H](C1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N(C[*:1])[C@@H]1CCSC1
Cc1c(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1
COC(=O)Oc1cncc(C(=O)[O-])c1 O=C([O-])[*:1] COC(=O)Oc1cncc(c1)[*:1]
CC(C)COc1ccc(Cc2c([O-])nc(N)[nH]c2=O)cc1 CC(C)[*:1] Nc1nc([O-])c(Cc2ccc(cc2)OC[*:1])c(=O)[nH]1
CC(C)COc1ccc(Cc2c([O-])nc(N)[nH]c2=O)cc1 CC(C)CO[*:1] Nc1nc([O-])c(Cc2ccc(cc2)[*:1])c(=O)[nH]1
CC(C)COc1ccc(Cc2c([O-])nc(N)[nH]c2=O)cc1 CC(C)C[*:1] Nc1nc([O-])c(Cc2ccc(cc2)O[*:1])c(=O)[nH]1
CNC(=O)c1ccc(Cl)c(NC(=O)NCCCOC2CCCC2)c1 C1CCC(C1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)NCCCO[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)NCCCOC2CCCC2)c1 C1CCC(C1)OC[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)NCC[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)NCCCOC2CCCC2)c1 C1CCC(C1)OCC[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)NC[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)NCCCOC2CCCC2)c1 CNC(=O)[*:1] O=C(NCCCOC1CCCC1)Nc1cc(ccc1Cl)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)NCCCOC2CCCC2)c1 C1CCC(C1)O[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)NCCC[*:1]
COc1ccc([C@H]2SCCN2S(=O)(=O)c2cc(OC)c(C)cc2C)cc1 COc1ccc(cc1)[*:1] COc1cc(c(C)cc1C)S(=O)(=O)N1CCS[C@@H]1[*:1]
CCc1cnc(CNC(=O)NCc2cn(C)nc2CC)s1 CCc1cnc(s1)[*:1] CCc1nn(C)cc1CNC(=O)NC[*:1]
N#Cc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 N#Cc1ccccc1[*:1] O=C(CSc1ncnc2sc3CCCCc3c12)N[*:1]
CC(C)[C@@H](NC(=O)C[C@H]1CCCO1)C(=O)N1CCOCC1 C1CO[C@H](C1)C[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCOCC1
CC(C)[C@@H](NC(=O)C[C@H]1CCCO1)C(=O)N1CCOCC1 C1CO[C@H](C1)[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)N1CCOCC1
CC(C)[C@@H](NC(=O)C[C@H]1CCCO1)C(=O)N1CCOCC1 CC(C)[*:1] O=C(C[C@H]1CCCO1)N[C@@H](C(=O)N1CCOCC1)[*:1]
CC(=O)O[C@@H](c1ccccc1)[C@H](C)c1ccccc1 CC(=O)O[*:1] C[C@H](c1ccccc1)[C@H](c1ccccc1)[*:1]
CC(=O)O[C@@H](c1ccccc1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)O[C@@H]([C@H](C)c1ccccc1)[*:1]
CC(=O)O[C@@H](c1ccccc1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)O[C@@H](c1ccccc1)[C@H](C)[*:1]
CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)n2c(=O)cc(C)c3cc(C)cc(C)c32)cc1 CCN(CC)S(=O)(=O)[*:1] Cc1cc(C)c2c(c1)c(C)cc(=O)n2[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
O=C(NC[C@H](O)c1cccc(OC(F)F)c1)c1ccc[n+]([O-])c1 [O-][n+]1cccc(c1)[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)[*:1]
O=C(NC[C@H](O)c1cccc(OC(F)F)c1)c1ccc[n+]([O-])c1 FC(F)[*:1] O=C(NC[C@H](O)c1cccc(c1)O[*:1])c1ccc[n+]([O-])c1
O=C(NC[C@H](O)c1cccc(OC(F)F)c1)c1ccc[n+]([O-])c1 FC(F)O[*:1] O=C(NC[C@H](O)c1cccc(c1)[*:1])c1ccc[n+]([O-])c1
CC(=O)N[C@H](C(=O)Nc1cc(-n2cnnn2)ccc1F)C(C)C CC(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1cc(ccc1F)-n1cnnn1)[*:1]
CC(=O)N[C@H](C(=O)Nc1cc(-n2cnnn2)ccc1F)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)Nc1cc(ccc1F)-n1cnnn1)[*:1]
CC(=O)N[C@H](C(=O)Nc1cc(-n2cnnn2)ccc1F)C(C)C c1nnnn1[*:1] CC(=O)N[C@H](C(=O)Nc1cc(ccc1F)[*:1])C(C)C
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N2CCN(C)CC2)c1C CN1CCN(CC1)C(=O)[*:1] CCOC(=O)c1cc(-c2ccc(F)cc2)n(C[*:1])c1C
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N2CCN(C)CC2)c1C CCOC(=O)[*:1] Cc1c(cc(-c2ccc(F)cc2)n1CC(=O)N1CCN(C)CC1)[*:1]
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N2CCN(C)CC2)c1C Fc1ccc(cc1)[*:1] CCOC(=O)c1cc(n(CC(=O)N2CCN(C)CC2)c1C)[*:1]
CCCN1CCc2nc[nH]c2C12CC[NH+](Cc1cc(OC)ccc1F)CC2 COc1ccc(F)c(c1)[*:1] CCCN1CCc2nc[nH]c2C12CC[NH+](CC2)C[*:1]
CCCN1CCc2nc[nH]c2C12CC[NH+](Cc1cc(OC)ccc1F)CC2 CCC[*:1] COc1ccc(F)c(c1)C[NH+]1CCC2(CC1)c1[nH]cnc1CCN2[*:1]
Cc1ccc(C[S@@](=O)CC(=O)N[C@H](C)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C[S@@](=O)CC(=O)N[C@H](C)[*:1]
Cc1ccc(C[S@@](=O)CC(=O)N[C@H](C)C(C)C)cc1 CC(C)[C@@H](C)[*:1] Cc1ccc(cc1)C[S@@](=O)CC(=O)N[*:1]
Cc1ccoc1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 Cc1ccoc1[*:1] O=C(N1CCN(CC1)Cc1cccc(Cl)c1)[*:1]
Cc1ccoc1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] Cc1ccoc1C(=O)N1CCN(CC1)C[*:1]
CCc1nc(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cs1 NS(=O)(=O)[*:1] CCc1nc(cs1)CC(=O)Nc1cc(cc(C)c1C)[*:1]
CCc1nc(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cs1 CCc1nc(cs1)[*:1] Cc1cc(cc(NC(=O)C[*:1])c1C)S(N)(=O)=O
Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nnn3C)c1 Cc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc2c(c1)nnn2C
CO[C@@H](C)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)c1 CO[C@@H](C)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)Nc1cccc(c1)[*:1]
CO[C@@H](C)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)c1 CN(C)S(=O)(=O)[*:1] CO[C@@H](C)c1cccc(c1)NC(=O)c1cc(c(C)o1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H](Cn2cncn2)c2ccccc2)c(N(C)C)n1 CN(C)[*:1] Cc1ccc(NC(=O)C(=O)N[C@@H](Cn2cncn2)c2ccccc2)c(n1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H](Cn2cncn2)c2ccccc2)c(N(C)C)n1 c1ncn(C[*:1])n1 Cc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)[*:1])c(n1)N(C)C
Cc1ccc(NC(=O)C(=O)N[C@@H](Cn2cncn2)c2ccccc2)c(N(C)C)n1 c1ncn(n1)[*:1] Cc1ccc(NC(=O)C(=O)N[C@@H](C[*:1])c2ccccc2)c(n1)N(C)C
Cc1ccc(NC(=O)C(=O)N[C@@H](Cn2cncn2)c2ccccc2)c(N(C)C)n1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C(=O)N[C@@H](Cn2cncn2)[*:1])c(n1)N(C)C
COc1cccc(-c2ccc(=O)n(CCC(=O)NCc3cc(F)cc(F)c3)n2)c1 Fc1cc(F)cc(c1)[*:1] COc1cccc(c1)-c1ccc(=O)n(CCC(=O)NC[*:1])n1
COc1cccc(-c2ccc(=O)n(CCC(=O)NCc3cc(F)cc(F)c3)n2)c1 Fc1cc(F)cc(c1)C[*:1] COc1cccc(c1)-c1ccc(=O)n(CCC(=O)N[*:1])n1
COc1cccc(-c2ccc(=O)n(CCC(=O)NCc3cc(F)cc(F)c3)n2)c1 COc1cccc(c1)[*:1] O=C(CCn1nc(ccc1=O)[*:1])NCc1cc(F)cc(F)c1
O=C([O-])c1cccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 O=C([O-])[*:1] O=C(NNS(=O)(=O)c1cccc(c1)[*:1])c1ccc2OCOc2c1
Cc1nc(Cn2cccc(C(F)(F)F)c2=O)n(C)n1 FC(F)(F)[*:1] Cc1nc(Cn2cccc(c2=O)[*:1])n(C)n1
Cc1nc(CNC(=O)N[C@H](c2cccs2)C(C)(C)C)no1 Cc1nc(no1)[*:1] CC(C)(C)[C@H](NC(=O)NC[*:1])c1cccs1
Cc1nc(CNC(=O)N[C@H](c2cccs2)C(C)(C)C)no1 c1csc(c1)[*:1] Cc1nc(CNC(=O)N[C@H](C(C)(C)C)[*:1])no1
Cc1nc(CNC(=O)N[C@H](c2cccs2)C(C)(C)C)no1 Cc1nc(C[*:1])no1 CC(C)(C)[C@H](NC(=O)N[*:1])c1cccs1
Cc1nc(CNC(=O)N[C@H](c2cccs2)C(C)(C)C)no1 CC(C)(C)[*:1] Cc1nc(CNC(=O)N[C@H](c2cccs2)[*:1])no1
CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 Clc1ccc(s1)[*:1] CSc1nc(nc(C)c1C(=O)Nc1nc(cs1)[*:1])-c1ccco1
CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 c1coc(c1)[*:1] CSc1nc(nc(C)c1C(=O)Nc1nc(cs1)-c1ccc(Cl)s1)[*:1]
COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)n2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1ccc(=O)n(CC(=O)Nc2cc(ccc2OC)[*:1])n1
COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)Cn1nc(ccc1=O)[*:1])C(F)(F)F
CC(C)CCNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 CC(C)C[*:1] O=C(NC[*:1])C(=O)Nc1ccc(c(F)c1)-n1cncn1
CC(C)CCNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 CC(C)CC[*:1] O=C(Nc1ccc(c(F)c1)-n1cncn1)C(=O)N[*:1]
CC(C)CCNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] CC(C)CCNC(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)CCNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 CC(C)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(c(F)c1)-n1cncn1
CCCC(=O)NC[C@H]1CCCN(c2nc(C)c(CC(C)C)c(C)n2)C1 CCCC(=O)NC[*:1] Cc1nc(nc(C)c1CC(C)C)N1CCC[C@@H](C1)[*:1]
CCCC(=O)NC[C@H]1CCCN(c2nc(C)c(CC(C)C)c(C)n2)C1 CC(C)C[*:1] CCCC(=O)NC[C@H]1CCCN(C1)c1nc(C)c(c(C)n1)[*:1]
CCCC(=O)NC[C@H]1CCCN(c2nc(C)c(CC(C)C)c(C)n2)C1 CCC[*:1] Cc1nc(nc(C)c1CC(C)C)N1CCC[C@H](CNC(=O)[*:1])C1
CCCC(=O)NC[C@H]1CCCN(c2nc(C)c(CC(C)C)c(C)n2)C1 CCCC(=O)N[*:1] Cc1nc(nc(C)c1CC(C)C)N1CCC[C@@H](C1)C[*:1]
CCCC(=O)NC[C@H]1CCCN(c2nc(C)c(CC(C)C)c(C)n2)C1 CC(C)[*:1] CCCC(=O)NC[C@H]1CCCN(C1)c1nc(C)c(C[*:1])c(C)n1
Cc1cc(OCC(=O)N[C@H](C)c2ccco2)ccc1C(C)C c1coc(c1)[*:1] Cc1cc(ccc1C(C)C)OCC(=O)N[C@H](C)[*:1]
Cc1cc(OCC(=O)N[C@H](C)c2ccco2)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCC(=O)N[C@H](C)c1ccco1
Cc1cc(OCC(=O)N[C@H](C)c2ccco2)ccc1C(C)C C[C@H](c1ccco1)[*:1] Cc1cc(ccc1C(C)C)OCC(=O)N[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)NC[C@H](N1CCOCC1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)NC[C@H](c1ccccc1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 C[C@@H](c1ccccn1)[*:1] CN(C(=O)NC[C@H](c1ccccc1)N1CCOCC1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 c1ccc(nc1)[*:1] C[C@@H](N(C)C(=O)NC[C@H](c1ccccc1)N1CCOCC1)[*:1]
Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c(C)c1 C[C@H](O)C[*:1] Cc1ccc(c(C)c1)[C@@H](C)[NH2+]CC(C)(C)[*:1]
Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c(C)c1 C[C@H](O)[*:1] Cc1ccc(c(C)c1)[C@@H](C)[NH2+]CC(C)(C)C[*:1]
COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2cccc(Cl)c2C)c1C Cc1c(Cl)cccc1[*:1] COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)N[*:1])c1C
COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2cccc(Cl)c2C)c1C COc1ccc(Cl)cc1[*:1] Cc1c(Cl)cccc1NC(=O)c1nnn(CC(=O)N[*:1])c1C
CN(C)S(=O)(=O)N1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)N1CCC(CC1)[C@@H]1CCCCN(C[*:1])C1=O
CN(C)S(=O)(=O)N1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)C[*:1] CN(C)S(=O)(=O)N1CCC(CC1)[C@@H]1CCCCN(C1=O)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@H](C)C(C)=O)c1C CC(=O)[C@@H](C)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@H](C)C(C)=O)c1C CC(=O)[*:1] CC(=O)[C@@H](C)S[C@@H](C)C(=O)c1[nH]c(C)c(c1C)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@H](C)C(C)=O)c1C CC(=O)[C@@H](C)S[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@H](C)C(C)=O)c1C CC(=O)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@H](C)[*:1])c1C
Cc1noc(C)c1CC(=O)O[C@@H](C)C(N)=O C[C@@H](C(N)=O)[*:1] Cc1noc(C)c1CC(=O)O[*:1]
Cc1noc(C)c1CC(=O)O[C@@H](C)C(N)=O NC(=O)[*:1] Cc1noc(C)c1CC(=O)O[C@@H](C)[*:1]
CCOC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC1 O=S(=O)(N[*:1])c1cccs1 CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
CCOC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1NS(=O)(=O)[*:1]
Cc1cccc(CN2CCN(C(=O)[C@H](CCS(C)(=O)=O)N3C(=O)c4ccccc4C3=O)CC2)c1 CS(=O)(=O)CC[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
Cc1cccc(CN2CCN(C(=O)[C@H](CCS(C)(=O)=O)N3C(=O)c4ccccc4C3=O)CC2)c1 O=C1c2ccccc2C(=O)N1[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)[C@H](CCS(C)(=O)=O)[*:1]
Cc1cccc(CN2CCN(C(=O)[C@H](CCS(C)(=O)=O)N3C(=O)c4ccccc4C3=O)CC2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)CC[C@@H](C(=O)N1CCN(CC1)C[*:1])N1C(=O)c2ccccc2C1=O
Cc1cccc(CN2CCN(C(=O)[C@H](CCS(C)(=O)=O)N3C(=O)c4ccccc4C3=O)CC2)c1 CS(=O)(=O)C[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)[C@H](C[*:1])N1C(=O)c2ccccc2C1=O
Cc1cccc(CN2CCN(C(=O)[C@H](CCS(C)(=O)=O)N3C(=O)c4ccccc4C3=O)CC2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)[C@H](CC[*:1])N1C(=O)c2ccccc2C1=O
Cc1cccc(CN2CCN(C(=O)[C@H](CCS(C)(=O)=O)N3C(=O)c4ccccc4C3=O)CC2)c1 Cc1cccc(c1)C[*:1] CS(=O)(=O)CC[C@@H](C(=O)N1CCN(CC1)[*:1])N1C(=O)c2ccccc2C1=O
Nn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1ccc(Cl)cc1Cl
Nn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] Nn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)N[*:1]
CCOC(=O)C[NH+]1CCCN(Cc2cccs2)CC1 CCOC(=O)C[*:1] c1csc(c1)CN1CCC[NH+](CC1)[*:1]
CCOC(=O)C[NH+]1CCCN(Cc2cccs2)CC1 CCOC(=O)[*:1] c1csc(c1)CN1CCC[NH+](CC1)C[*:1]
CCOC(=O)C[NH+]1CCCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] CCOC(=O)C[NH+]1CCCN(CC1)[*:1]
CCOC(=O)C[NH+]1CCCN(Cc2cccs2)CC1 c1csc(c1)[*:1] CCOC(=O)C[NH+]1CCCN(CC1)C[*:1]
N#Cc1ccccc1Cn1cccc1C(=O)[O-] O=C([O-])[*:1] N#Cc1ccccc1Cn1cccc1[*:1]
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4C[C@@H]5O[C@]5(C(C)=O)[C@@]4(C)CC(=O)[C@H]32)C1 CC(=O)O[*:1] CC(=O)[C@]12O[C@H]1C[C@H]1[C@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C)[*:1]
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4C[C@@H]5O[C@]5(C(C)=O)[C@@]4(C)CC(=O)[C@H]32)C1 CC(=O)[*:1] CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4C[C@@H]5O[C@@]5([C@@]4(C)CC(=O)[C@H]32)[*:1])C1
CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1C CCn1nc(C)c(c1C)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)C(=O)NC1CC1
CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1C O=C(NC1CC1)[*:1] CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(cc2)[*:1])c1C
CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1C C1CC1[*:1] CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(cc2)C(=O)N[*:1])c1C
O=C(/C=C/c1ccco1)Nc1cccc(-c2nc3ccccc3o2)c1 C(=C[*:1])c1ccco1 O=C(Nc1cccc(c1)-c1nc2ccccc2o1)[*:1]
O=C(/C=C/c1ccco1)Nc1cccc(-c2nc3ccccc3o2)c1 c1coc(c1)[*:1] O=C(C=C[*:1])Nc1cccc(c1)-c1nc2ccccc2o1
CC(C)(C)c1n[nH]c(C(=O)NCCC#N)n1 CC(C)(C)[*:1] N#CCCNC(=O)c1nc(n[nH]1)[*:1]
CC(C)(C)c1n[nH]c(C(=O)NCCC#N)n1 N#CC[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)NC[*:1]
CC(C)(C)c1n[nH]c(C(=O)NCCC#N)n1 N#CCC[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)N[*:1]
CCC[NH2+][C@H](c1ccc2c(c1)OCCO2)[C@@H]1CCO[C@@H]1C CCC[*:1] C[C@H]1OCC[C@H]1[C@H]([NH2+][*:1])c1ccc2OCCOc2c1
CSc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)n1[*:1]
Cc1noc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1noc(CNC(=O)C2CCN(CC2)C(=O)[*:1])n1
Cc1noc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)n1 Cc1noc(n1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1ccccc1
Cc1noc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)n1 Cc1noc(C[*:1])n1 O=C(N[*:1])C1CCN(CC1)C(=O)c1ccccc1
O=C(NCCCCn1cnnc1)NCc1nccc2ccccc12 c1nncn1CC[*:1] O=C(NCC[*:1])NCc1nccc2ccccc12
O=C(NCCCCn1cnnc1)NCc1nccc2ccccc12 c1nncn1[*:1] O=C(NCCCC[*:1])NCc1nccc2ccccc12
O=C(NCCCCn1cnnc1)NCc1nccc2ccccc12 c1nncn1CCC[*:1] O=C(NCc1nccc2ccccc12)NC[*:1]
O=C(NCCCCn1cnnc1)NCc1nccc2ccccc12 c1nncn1C[*:1] O=C(NCCC[*:1])NCc1nccc2ccccc12
CCOC(=O)C1(O)CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 CCOC(=O)[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCC(O)(CC1)[*:1]
CCOC(=O)C1(O)CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 O=[N+]([O-])[*:1] CCOC(=O)C1(O)CCN(CC1)c1cc(C)c(cn1)[*:1]
CCCN1C(=O)CC[C@H]([NH3+])[C@@H]1c1ccc(Br)c(C)c1 CCC[*:1] Cc1cc(ccc1Br)[C@H]1[C@@H]([NH3+])CCC(=O)N1[*:1]
CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 C(#C[*:1])c1ccccc1 CC[C@H](CO)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C#C[*:1])c1
O=C(Nc1ccc2nc(N3CCCC3)sc2c1)[C@H]1CC(=O)N(C2CCCC2)C1 C1CCN(C1)[*:1] O=C(Nc1ccc2nc(sc2c1)[*:1])[C@H]1CC(=O)N(C1)C1CCCC1
O=C(Nc1ccc2nc(N3CCCC3)sc2c1)[C@H]1CC(=O)N(C2CCCC2)C1 C1CCC(C1)[*:1] O=C(Nc1ccc2nc(sc2c1)N1CCCC1)[C@H]1CC(=O)N(C1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)N[C@@H](C)CSC CSC[*:1] CCN(Cc1cccc(C)c1)C(=O)N[C@@H](C)[*:1]
CC(C)c1cc(N2CCC(C(=O)[O-])CC2)nc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)c1cc(nc(n1)[*:1])N1CCC(CC1)C(=O)[O-]
CC(C)c1cc(N2CCC(C(=O)[O-])CC2)nc(-c2ccc(F)cc2)n1 CC(C)[*:1] O=C([O-])C1CCN(CC1)c1cc(nc(n1)-c1ccc(F)cc1)[*:1]
CC(C)c1cc(N2CCC(C(=O)[O-])CC2)nc(-c2ccc(F)cc2)n1 O=C([O-])[*:1] CC(C)c1cc(nc(n1)-c1ccc(F)cc1)N1CCC(CC1)[*:1]
CCO[C@H]1C[C@@H](NC(=O)N2CCc3nn(C)c(=O)cc3C2)C12CCCC2 CCO[*:1] Cn1nc2CCN(Cc2cc1=O)C(=O)N[C@@H]1C[C@@H](C12CCCC2)[*:1]
O=C(Nc1cccc(F)c1)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(Nc1cccc(F)c1)N[C@@H]1C=C[C@@H](C1)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)C2=Cc3cc(F)ccc3OC2)cc1 CCS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1=Cc2cc(F)ccc2OC1
C[C@H]1CN(CCC(=O)NCc2ccccc2Cl)C(C)(C)CO1 Clc1ccccc1[*:1] C[C@H]1CN(CCC(=O)NC[*:1])C(C)(C)CO1
CC(C)[C@H](CCl)Nc1cccnn1 CC(C)[*:1] ClC[C@H](Nc1cccnn1)[*:1]
Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1CC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(nnn1CC(=O)NC[*:1])C(=O)Nc1cc(Cl)cc(Cl)c1
Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1CC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1c(nnn1CC(=O)N[*:1])C(=O)Nc1cc(Cl)cc(Cl)c1
Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1CC(=O)NCc1ccc(F)cc1 Clc1cc(Cl)cc(c1)[*:1] Cc1c(nnn1CC(=O)NCc1ccc(F)cc1)C(=O)N[*:1]
CCNC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 c1ccc(cc1)C[*:1] CCNC(=O)N1CCCN(CC1)c1nc(nc2c1cnn2-c1ccccc1)[*:1]
CCNC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 c1ccc(cc1)[*:1] CCNC(=O)N1CCCN(CC1)c1nc(Cc2ccccc2)nc2c1cnn2[*:1]
CCNC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 c1ccc(cc1)[*:1] CCNC(=O)N1CCCN(CC1)c1nc(C[*:1])nc2c1cnn2-c1ccccc1
O=C(CNC(=O)c1cccc(Cl)c1Cl)NC1CC1 O=C(NC1CC1)[*:1] O=C(NC[*:1])c1cccc(Cl)c1Cl
O=C(CNC(=O)c1cccc(Cl)c1Cl)NC1CC1 C1CC1[*:1] O=C(CNC(=O)c1cccc(Cl)c1Cl)N[*:1]
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CC(C)(C)C CC(C)(C)[*:1] C[C@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)C[*:1]
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CC(C)(C)C CC(C)(C)C[*:1] C[C@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)[*:1]
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CC(C)(C)C C[S@@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)CC(C)(C)C
C[C@@](CO)(NC(=O)NCc1cccc([N+]2=CCCC2)c1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@](CO)(NC(=O)NCc1cccc(c1)[N+]1=CCCC1)[*:1]
O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2)N1CCSCC1 C1CCCC(CC1)[*:1] O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2)N1CCSCC1
O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2)N1CCSCC1 O=C(N1CCSCC1)[*:1] O=C1[C@H]2[C@@H]([C@@H]3C=C[C@@]2(CN1C1CCCCCC1)O3)[*:1]
O=C(CCC1CCCCC1)NNC(=O)C1CCC1 C1CC(C1)[*:1] O=C(CCC1CCCCC1)NNC(=O)[*:1]
O=C(CCC1CCCCC1)NNC(=O)C1CCC1 C1CCC(CC1)[*:1] O=C(CC[*:1])NNC(=O)C1CCC1
Cc1cc(N2CCC[C@H](OC(=O)c3ccc(-n4cccn4)cc3)C2)nc(C)[nH+]1 c1cnn(c1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCC[C@@H](C1)OC(=O)c1ccc(cc1)[*:1]
CC[C@H](C)CC(CO)(CO)c1ccccc1Br CC[C@H](C)C[*:1] OCC(CO)(c1ccccc1Br)[*:1]
CC[C@H](C)CC(CO)(CO)c1ccccc1Br CC[C@H](C)[*:1] OCC(CO)(C[*:1])c1ccccc1Br
Cc1cccc(C(C)C)c1NC(=O)CN1C[C@H](C)O[C@H](C)C1 CC(C)[*:1] Cc1cccc(c1NC(=O)CN1C[C@H](C)O[C@H](C)C1)[*:1]
CC(=O)c1c(F)ccc(C)c1Cl CC(=O)[*:1] Cc1ccc(F)c(c1Cl)[*:1]
CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 c1cc(ccn1)[*:1] CN(Cc1ccccc1)C(=O)CSc1nnc(n1-c1ccc(Cl)cc1)[*:1]
CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1
CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccncc2)n1[*:1]
CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] CN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)[*:1]
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 CCO[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1c1ccc(cc1)[*:1])OC(=O)[C@@H]1COc2ccccc2O1
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 CCOc1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1[*:1])OC(=O)[C@@H]1COc2ccccc2O1
N#C[C@@H](COC(=O)[C@@H]1CNC(=O)C1)Cc1cccs1 O=C1C[C@@H](CN1)[*:1] N#C[C@@H](COC(=O)[*:1])Cc1cccs1
N#C[C@@H](COC(=O)[C@@H]1CNC(=O)C1)Cc1cccs1 c1csc(c1)C[*:1] N#C[C@@H](COC(=O)[C@@H]1CNC(=O)C1)[*:1]
N#C[C@@H](COC(=O)[C@@H]1CNC(=O)C1)Cc1cccs1 c1csc(c1)[*:1] N#C[C@@H](COC(=O)[C@@H]1CNC(=O)C1)C[*:1]
COc1cc(C)sc1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 Cc1ccccc1[*:1] COc1cc(C)sc1C(=O)N1CCC(CC1)NC(=O)[*:1]
COc1cc(C)sc1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 COc1cc(C)sc1[*:1] Cc1ccccc1C(=O)NC1CCN(CC1)C(=O)[*:1]
C[C@H](CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)n1ccnc1 c1cn(cn1)[*:1] C[C@H](CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[*:1]
C[C@H](CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)n1ccnc1 Fc1ccc(cc1)[*:1] C[C@H](CC(=O)NC[C@@H](N1CCOCC1)[*:1])n1ccnc1
C[C@H](CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)n1ccnc1 C1CN(CCO1)[*:1] C[C@H](CC(=O)NC[C@@H](c1ccc(F)cc1)[*:1])n1ccnc1
CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1c(C2CC2)nc2ccccc21 C1CC1[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)Cn1c(nc2ccccc21)[*:1]
O=C(Nc1nc(-c2cccnc2)cs1)c1csc(-n2cccc2)n1 c1cncc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1csc(n1)-n1cccc1
O=C(Nc1nc(-c2cccnc2)cs1)c1csc(-n2cccc2)n1 c1ccn(c1)[*:1] O=C(Nc1nc(cs1)-c1cccnc1)c1csc(n1)[*:1]
COc1cc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccccc4)c3c2cc1OC O=C(C[*:1])Nc1ccccc1 COc1cc2ncc3c(nn(c3c2cc1OC)[*:1])-c1ccccc1
COc1cc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccccc4)c3c2cc1OC O=C(Nc1ccccc1)[*:1] COc1cc2ncc3c(nn(C[*:1])c3c2cc1OC)-c1ccccc1
COc1cc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccccc4)c3c2cc1OC c1ccc(cc1)[*:1] COc1cc2ncc3c(nn(CC(=O)N[*:1])c3c2cc1OC)-c1ccccc1
COc1cc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccccc4)c3c2cc1OC c1ccc(cc1)[*:1] COc1cc2ncc3c(nn(CC(=O)Nc4ccccc4)c3c2cc1OC)[*:1]
Cc1ccc2ncnc(NCCNc3nccc(C(F)(F)F)n3)c2c1 FC(F)(F)[*:1] Cc1ccc2ncnc(NCCNc3nccc(n3)[*:1])c2c1
O=C(c1ccc2ncccc2c1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(c1ccc2ncccc2c1)N1C[C@H](O)C[C@H]1[*:1]
CC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 CC(=O)[*:1] CN1C(=O)Cc2cc(ccc21)NS(=O)(=O)c1ccc(cc1)[*:1]
O=C(NC1CCCCCCC1)c1ccccc1SC(F)F FC(F)[*:1] O=C(NC1CCCCCCC1)c1ccccc1S[*:1]
O=C(NC1CCCCCCC1)c1ccccc1SC(F)F FC(F)S[*:1] O=C(NC1CCCCCCC1)c1ccccc1[*:1]
Cc1ccc(NC(=O)c2c[nH]c3cc(Cl)ccc3c2=O)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])c1c[nH]c2cc(Cl)ccc2c1=O
CN(Cc1cc[nH]n1)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 c1ccc(cc1)[*:1] CN(Cc1cc[nH]n1)C(=O)c1cc(C[NH+]2CCC(CC2)C[*:1])on1
CN(Cc1cc[nH]n1)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 c1cc(n[nH]1)[*:1] CN(C[*:1])C(=O)c1cc(C[NH+]2CCC(CC2)Cc2ccccc2)on1
CN(Cc1cc[nH]n1)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 c1cc(C[*:1])n[nH]1 CN(C(=O)c1cc(C[NH+]2CCC(CC2)Cc2ccccc2)on1)[*:1]
CN(Cc1cc[nH]n1)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 c1ccc(cc1)C[*:1] CN(Cc1cc[nH]n1)C(=O)c1cc(C[NH+]2CCC(CC2)[*:1])on1
C#CCOc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 C#CC[*:1] O=C1c2ccccc2N[C@@H](c2cc(Br)ccc2O[*:1])N1C1CC1
C#CCOc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 C1CC1[*:1] C#CCOc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1[*:1]
C#CCOc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 C#CCO[*:1] O=C1c2ccccc2N[C@@H](c2cc(Br)ccc2[*:1])N1C1CC1
COC[C@H](C)NC(=O)C1CCN(c2nc3ccc(F)cc3s2)CC1 COC[C@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)c1nc2ccc(F)cc2s1
COC[C@H](C)NC(=O)C1CCN(c2nc3ccc(F)cc3s2)CC1 COC[*:1] C[C@H](NC(=O)C1CCN(CC1)c1nc2ccc(F)cc2s1)[*:1]
COC[C@H](C)NC(=O)C1CCN(c2nc3ccc(F)cc3s2)CC1 COC[C@H](C)NC(=O)[*:1] Fc1ccc2nc(sc2c1)N1CCC(CC1)[*:1]
O=C(COc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2cccs2)C1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2cccs2)C1
O=C(COc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2cccs2)C1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2cccs2)C1
O=C(COc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2cccs2)C1 C(=C[*:1])c1cccs1 O=C(COc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)[*:1])C1
O=C(COc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2cccs2)C1 c1csc(c1)[*:1] O=C(COc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)C=C[*:1])C1
O=C(COc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2cccs2)C1 c1ccc(cc1)OC[*:1] O=C(/C=C/c1cccs1)N1CCC[C@H]2CN(CC[C@H]21)C(=O)[*:1]
NC(=O)CNC(=O)c1cccc(NC(=O)c2cccnc2)c1 NC(=O)CNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccnc1
NC(=O)CNC(=O)c1cccc(NC(=O)c2cccnc2)c1 NC(=O)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)c1cccnc1
NC(=O)CNC(=O)c1cccc(NC(=O)c2cccnc2)c1 c1cncc(c1)[*:1] NC(=O)CNC(=O)c1cccc(c1)NC(=O)[*:1]
NC(=O)CNC(=O)c1cccc(NC(=O)c2cccnc2)c1 NC(=O)C[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])c1cccnc1
Cc1cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1Br Cc1cc(ccc1Br)[*:1] O=C1CCCc2cc(ccc2N1)S(=O)(=O)NCCC(=O)N[*:1]
Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)Nc2cn(C)c(=O)c3ccccc23)CC1 Cc1ccc(Cl)cc1[*:1] Cn1cc(NC(=O)NCCC[NH+]2CCN(CC2)[*:1])c2ccccc2c1=O
Cc1cccnc1C[C@@H](NCC1CCS(=O)(=O)CC1)C(F)(F)F FC(F)(F)[*:1] Cc1cccnc1C[C@@H](NCC1CCS(=O)(=O)CC1)[*:1]
Cc1cccnc1C[C@@H](NCC1CCS(=O)(=O)CC1)C(F)(F)F Cc1cccnc1[*:1] O=S1(=O)CCC(CC1)CN[C@H](C[*:1])C(F)(F)F
CC(C)(C)Oc1cc(C(=O)NCCC(=O)Nc2ccccc2)ccn1 c1ccc(cc1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NCCC(=O)N[*:1]
CC(C)(C)Oc1cc(C(=O)NCCC(=O)Nc2ccccc2)ccn1 CC(C)(C)[*:1] O=C(CCNC(=O)c1ccnc(c1)O[*:1])Nc1ccccc1
CC(C)(C)Oc1cc(C(=O)NCCC(=O)Nc2ccccc2)ccn1 CC(C)(C)O[*:1] O=C(CCNC(=O)c1ccnc(c1)[*:1])Nc1ccccc1
CN(C)c1ncc(NC(=O)C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cn1 CN(C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1cnc(nc1)[*:1]
O=C(Nc1ccc(F)cc1OCC1CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 C1CC1CO[*:1] O=C(Nc1ccc(F)cc1[*:1])N1CC[NH+](CC1)C[C@@H]1CCOC1
O=C(Nc1ccc(F)cc1OCC1CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 C1CC1C[*:1] O=C(Nc1ccc(F)cc1O[*:1])N1CC[NH+](CC1)C[C@@H]1CCOC1
O=C(Nc1ccc(F)cc1OCC1CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 C1CC1[*:1] O=C(Nc1ccc(F)cc1OC[*:1])N1CC[NH+](CC1)C[C@@H]1CCOC1
CN(C(=O)CCCOc1cccc(F)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)CCCOc1cccc(F)c1)[C@@H]1CCCC[C@H]1[*:1]
CN(C(=O)CCCOc1cccc(F)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O Fc1cccc(c1)[*:1] CN(C(=O)CCCO[*:1])[C@@H]1CCCC[C@@H]1S(C)(=O)=O
CN(C(=O)CCCOc1cccc(F)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O Fc1cccc(c1)O[*:1] CN(C(=O)CCC[*:1])[C@@H]1CCCC[C@@H]1S(C)(=O)=O
CC[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](NS(=O)(=O)c1ccc(cc1)CC#N)[*:1]
CC[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-] N#CC[*:1] CC[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])C(=O)[O-]
CC[C@@]1(c2ccc(NC(=O)c3ccon3)cc2)CCC(=O)NC1=O c1cc(no1)[*:1] CC[C@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@@]1(c2ccc(NC(=O)c3ccon3)cc2)CCC(=O)NC1=O O=C(N[*:1])c1ccon1 CC[C@]1(CCC(=O)NC1=O)c1ccc(cc1)[*:1]
Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 C1CN(CCO1)[*:1] Cc1oc2ncnc(c2c1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[*:1]
Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 c1coc(c1)C[*:1] Cc1oc2ncnc(c2c1C(=O)N(C1CC[NH+](C)CC1)[*:1])N1CCOCC1
Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 c1coc(c1)[*:1] Cc1oc2ncnc(c2c1C(=O)N(C[*:1])C1CC[NH+](C)CC1)N1CCOCC1
Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(C(C)C)s2)n1 Cc1ccccc1C[*:1] CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)[*:1])s1
Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(C(C)C)s2)n1 Cc1ccccc1[*:1] CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)C[*:1])s1
Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(C(C)C)s2)n1 CC(C)c1nnc(s1)[*:1] Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)N[*:1]
Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(C(C)C)s2)n1 CC(C)[*:1] Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1nnc(s1)[*:1]
CCCCc1cc(=O)oc2c3c(ccc12)OC[NH+](Cc1ccc(OC)cc1OC)C3 CCCC[*:1] COc1ccc(C[NH+]2COc3ccc4c(cc(=O)oc4c3C2)[*:1])c(c1)OC
CCCCc1cc(=O)oc2c3c(ccc12)OC[NH+](Cc1ccc(OC)cc1OC)C3 COc1ccc(c(c1)OC)[*:1] CCCCc1cc(=O)oc2c3C[NH+](COc3ccc12)C[*:1]
CCCCc1cc(=O)oc2c3c(ccc12)OC[NH+](Cc1ccc(OC)cc1OC)C3 CCC[*:1] COc1ccc(C[NH+]2COc3ccc4c(cc(=O)oc4c3C2)C[*:1])c(c1)OC
SCC1(COc2ccc(Cl)c3cccnc23)CC1 SCC1(CC1)C[*:1] Clc1ccc(O[*:1])c2ncccc12
SCC1(COc2ccc(Cl)c3cccnc23)CC1 SCC1(CC1)[*:1] Clc1ccc(OC[*:1])c2ncccc12
COC(=O)c1ccc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)o1 COC(=O)[*:1] NC(=O)[C@H]1CCN(C(=O)c2ccc(o2)[*:1])c2ccccc21
COC(=O)c1ccc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)o1 NC(=O)[*:1] COC(=O)c1ccc(o1)C(=O)N1CC[C@H](c2ccccc21)[*:1]
c1ccc(COc2ccc(CSc3ncnc4nc[nH]c34)cc2)nc1 c1ccc(C[*:1])nc1 c1nc(SCc2ccc(cc2)O[*:1])c2[nH]cnc2n1
c1ccc(COc2ccc(CSc3ncnc4nc[nH]c34)cc2)nc1 c1ccc(CO[*:1])nc1 c1nc(SCc2ccc(cc2)[*:1])c2[nH]cnc2n1
c1ccc(COc2ccc(CSc3ncnc4nc[nH]c34)cc2)nc1 c1ccc(nc1)[*:1] c1nc(SCc2ccc(cc2)OC[*:1])c2[nH]cnc2n1
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc(OC(C)C)cc2)C1 CC(C)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)Nc1ccc(cc1)O[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc(OC(C)C)cc2)C1 CC(C)[*:1] CC(C)Oc1ccc(cc1)NC(=O)N1CC[C@@H](C1)OCC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc(OC(C)C)cc2)C1 CC(C)CCO[*:1] CC(C)Oc1ccc(cc1)NC(=O)N1CC[C@@H](C1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc(OC(C)C)cc2)C1 CC(C)CC[*:1] CC(C)Oc1ccc(cc1)NC(=O)N1CC[C@@H](C1)O[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc(OC(C)C)cc2)C1 CC(C)C[*:1] CC(C)Oc1ccc(cc1)NC(=O)N1CC[C@@H](C1)OC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc(OC(C)C)cc2)C1 CC(C)O[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](CNC(=O)C(=O)Nc1c(F)cc(F)cc1F)c1ccccc1 CC(C)[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])C(=O)Nc1c(F)cc(F)cc1F
CC(C)[C@@H](CNC(=O)C(=O)Nc1c(F)cc(F)cc1F)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](CNC(=O)C(=O)Nc1c(F)cc(F)cc1F)[*:1]
CC(C)CN(CC(C)C)C(=O)CN1CCN(c2cnccn2)CC1 CC(C)[*:1] CC(C)CN(C[*:1])C(=O)CN1CCN(CC1)c1cnccn1
CC(C)CN(CC(C)C)C(=O)CN1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] CC(C)CN(CC(C)C)C(=O)CN1CCN(CC1)[*:1]
CC(C)CN(CC(C)C)C(=O)CN1CCN(c2cnccn2)CC1 CC(C)C[*:1] CC(C)CN(C(=O)CN1CCN(CC1)c1cnccn1)[*:1]
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 O=S(=O)(N1CCCCC1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@@H]1c1nc2ccccc2s1
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCCC1)N1CCC[C@H]1[*:1]
CCCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2cccnc2)n1 CCC[*:1] c1cncc(c1)-c1nc(cc(n1)[*:1])N[C@H]1CCC[NH2+]C1
CCCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] CCCc1cc(nc(n1)[*:1])N[C@H]1CCC[NH2+]C1
O=[N+]([O-])c1cccnc1Sc1ccc(F)c(F)c1 O=[N+]([O-])[*:1] Fc1ccc(cc1F)Sc1ncccc1[*:1]
Cc1nccn1Cc1cccc(CNC(=O)N(C)C[C@@H]2CCCO2)c1 Cc1nccn1[*:1] CN(C[C@@H]1CCCO1)C(=O)NCc1cccc(c1)C[*:1]
Cc1nccn1Cc1cccc(CNC(=O)N(C)C[C@@H]2CCCO2)c1 Cc1nccn1C[*:1] CN(C[C@@H]1CCCO1)C(=O)NCc1cccc(c1)[*:1]
Cc1ccc(SCCNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 Cc1ccc(cc1)[*:1] Cn1c(NCCS[*:1])c(C#N)c(=O)n(C)c1=O
C[C@H]1C[C@H](C)C[NH+](CCC(=O)N(C)CCC#N)C1 N#CC[*:1] C[C@H]1C[C@H](C)C[NH+](CCC(=O)N(C)C[*:1])C1
C[C@H]1C[C@H](C)C[NH+](CCC(=O)N(C)CCC#N)C1 N#CCC[*:1] C[C@H]1C[C@H](C)C[NH+](CCC(=O)N(C)[*:1])C1
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC2(C#N)CCCCC2)C1=O N#CC1(CCCCC1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(Cl)cc1
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC2(C#N)CCCCC2)C1=O Clc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)NC2(C#N)CCCCC2)C1=O)[*:1]
CS[C@@H](C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 CS[C@@H](C)[*:1] O=C(NC[C@H](c1ccc(cc1)C(F)(F)F)N1CCOCC1)[*:1]
CS[C@@H](C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 CS[C@@H](C)C(=O)NC[*:1] FC(F)(F)c1ccc(cc1)[C@H](N1CCOCC1)[*:1]
CS[C@@H](C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 CS[C@@H](C)C(=O)N[*:1] FC(F)(F)c1ccc(cc1)[C@@H](C[*:1])N1CCOCC1
CS[C@@H](C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] CS[C@@H](C)C(=O)NC[C@H](c1ccc(cc1)C(F)(F)F)[*:1]
CS[C@@H](C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 FC(F)(F)[*:1] CS[C@@H](C)C(=O)NC[C@H](c1ccc(cc1)[*:1])N1CCOCC1
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2 CC[S@](=O)[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])c1n[nH]c2CCCc12
C[C@@H](OCC(F)(F)F)C(=O)N[C@H](c1ccccc1)c1ccccn1 FC(F)(F)CO[*:1] C[C@@H](C(=O)N[C@H](c1ccccc1)c1ccccn1)[*:1]
C[C@@H](OCC(F)(F)F)C(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](OCC(F)(F)F)C(=O)N[C@H](c1ccccc1)[*:1]
C[C@@H](OCC(F)(F)F)C(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] C[C@@H](OCC(F)(F)F)C(=O)N[C@H](c1ccccn1)[*:1]
C[C@@H](OCC(F)(F)F)C(=O)N[C@H](c1ccccc1)c1ccccn1 FC(F)(F)C[*:1] C[C@@H](O[*:1])C(=O)N[C@H](c1ccccc1)c1ccccn1
C[C@@H](OCC(F)(F)F)C(=O)N[C@H](c1ccccc1)c1ccccn1 FC(F)(F)[*:1] C[C@@H](OC[*:1])C(=O)N[C@H](c1ccccc1)c1ccccn1
COc1ccccc1NC(=O)c1cc(-c2cccnc2)nc2ccccc12 c1cncc(c1)[*:1] COc1ccccc1NC(=O)c1cc(nc2ccccc12)[*:1]
COc1ccccc1NC(=O)c1cc(-c2cccnc2)nc2ccccc12 COc1ccccc1[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1cccnc1
CN(C)C(=O)Cn1cnc(/N=C(\[O-])C(C)(C)F)n1 CN(C)C(=O)[*:1] CC(C)(F)/C([O-])=N/c1ncn(C[*:1])n1
CN(C)C(=O)Cn1cnc(/N=C(\[O-])C(C)(C)F)n1 CN(C)C(=O)C[*:1] CC(C)(F)/C([O-])=N/c1ncn(n1)[*:1]
CN(C)C(=O)Cn1cnc(/N=C(\[O-])C(C)(C)F)n1 CC(C)(F)[*:1] CN(C)C(=O)Cn1cnc(/N=C(\[O-])[*:1])n1
C[C@@H](/C([O-])=C(/C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](/C([O-])=C(/C#N)C(=O)Nc1ccc(F)c(Cl)c1)[*:1]
C[C@@H](/C([O-])=C(/C#N)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(F)c1 Fc1ccc(cc1Cl)[*:1] C[C@@H](/C([O-])=C(/C#N)C(=O)N[*:1])c1cccc(F)c1
CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)ccc1OC COc1ccccc1[*:1] CC[C@@H](O[*:1])C(=O)Nc1cc(Cl)ccc1OC
Cc1ccc2[nH]c3nc(S[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4C)nnc3c2c1 O=[N+]([O-])[*:1] Cc1ccc2[nH]c3nc(nnc3c2c1)S[C@H](C)C(=O)Nc1ccc(cc1C)[*:1]
Cc1ccc2[nH]c3nc(S[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4C)nnc3c2c1 Cc1cc(ccc1[*:1])[N+](=O)[O-] Cc1ccc2[nH]c3nc(nnc3c2c1)S[C@H](C)C(=O)N[*:1]
Cc1noc(C)c1CC(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] Cc1noc(C)c1CC(=O)O[C@H](C)C(=O)N[*:1]
Cc1noc(C)c1CC(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl Cc1noc(C)c1[*:1] C[C@@H](OC(=O)C[*:1])C(=O)Nc1cccc(Cl)c1Cl
Cc1noc(C)c1CC(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl Cc1noc(C)c1C[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1cccc(Cl)c1Cl
CCCc1ccc(OC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1 CCC[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Oc1ccc(cc1)[*:1]
Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1C Cc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)[C@@H](C#N)c1nc(cs1)C(C)C
Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1C CC(C)[*:1] Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc(cs2)[*:1])c1C
Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c1C CC(C)c1csc(n1)[*:1] Cc1ccccc1-n1ncc(C(=O)[C@@H](C#N)[*:1])c1C
CC(=O)N1CCc2cc(NCc3ccc(-n4ccnc4)cc3)ccc21 c1cn(cn1)[*:1] CC(=O)N1CCc2cc(ccc21)NCc1ccc(cc1)[*:1]
COc1ccc(CC(=O)N2CCC(O)(Cn3ncc4ccccc43)CC2)cc1OC c1ccc2c(c1)cnn2[*:1] COc1ccc(cc1OC)CC(=O)N1CCC(O)(CC1)C[*:1]
COc1ccc(CC(=O)N2CCC(O)(Cn3ncc4ccccc43)CC2)cc1OC c1ccc2c(c1)cnn2C[*:1] COc1ccc(cc1OC)CC(=O)N1CCC(O)(CC1)[*:1]
COc1ccc(CC(=O)N2CCC(O)(Cn3ncc4ccccc43)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C[*:1])N1CCC(O)(CC1)Cn1ncc2ccccc21
Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] Cn1nc(cc1C(=O)Nc1ccc(cc1)[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(C(N)=O)cc1 CC(C)(C)[*:1] Cn1nc(cc1C(=O)Nc1ccc(cc1)C(N)=O)[*:1]
COCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 COCC(=O)N[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)Nc1cccc(c1)[*:1]
COCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 COC[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)Nc1cccc(c1)NC(=O)[*:1]
COCc1nc2cc(N[C@@H](C)C(=O)Nc3c(C)nn(C)c3C)ccc2o1 COC[*:1] Cc1nn(C)c(C)c1NC(=O)[C@H](C)Nc1ccc2oc(nc2c1)[*:1]
COCc1nc2cc(N[C@@H](C)C(=O)Nc3c(C)nn(C)c3C)ccc2o1 Cc1nn(C)c(C)c1[*:1] COCc1nc2cc(ccc2o1)N[C@@H](C)C(=O)N[*:1]
O=C(NC[C@@H]1CCC[C@@H]1O)c1ccccc1Sc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)c1ccccc1S[*:1]
O=C(NC[C@@H]1CCC[C@@H]1O)c1ccccc1Sc1ccccc1 c1ccc(cc1)S[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)c1ccccc1[*:1]
CCCC(=O)/N=c1\sc2cc(OC)ccc2n1CCSC CSCC[*:1] CCCC(=O)/N=c1\sc2cc(ccc2n1[*:1])OC
CCCC(=O)/N=c1\sc2cc(OC)ccc2n1CCSC CCC[*:1] COc1ccc2c(c1)s/c(=N\C(=O)[*:1])n2CCSC
CCCC(=O)/N=c1\sc2cc(OC)ccc2n1CCSC CSC[*:1] CCCC(=O)/N=c1\sc2cc(ccc2n1C[*:1])OC
CCCCN(C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(C1C[C@H](c2ccccc2)N(N=1)c1ccccc1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCCN(C(=O)C1C[C@H](c2ccccc2)N(N=1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCCN(C(=O)C1C[C@H](N(N=1)c1ccccc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(C1C[C@H](c2ccccc2)N(N=1)c1ccccc1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCn1ccnc(N(C)Cc2ccc(-c3ccccc3)cc2)c1=O c1ccc(cc1)[*:1] CCn1ccnc(c1=O)N(C)Cc1ccc(cc1)[*:1]
C[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCC[C@@H]1O O[C@H]1CCC[C@@H]1C[*:1] C[NH+](C)Cc1ccccc1CNC(=O)N[*:1]
C[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCC[C@@H]1O O[C@H]1CCC[C@@H]1[*:1] C[NH+](C)Cc1ccccc1CNC(=O)NC[*:1]
Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])NCc1ccco1
Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)c(C)c1 c1coc(c1)C[*:1] Cc1ccc(-c2ccc(=O)n(CC(=O)N[*:1])n2)c(C)c1
Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)c(C)c1 c1coc(c1)[*:1] Cc1ccc(-c2ccc(=O)n(CC(=O)NC[*:1])n2)c(C)c1
CC(C)c1ccccc1NC(=O)NCCC(=O)N(C)C CN(C)C(=O)C[*:1] CC(C)c1ccccc1NC(=O)NC[*:1]
CC(C)c1ccccc1NC(=O)NCCC(=O)N(C)C CC(C)[*:1] CN(C)C(=O)CCNC(=O)Nc1ccccc1[*:1]
CC(C)c1ccccc1NC(=O)NCCC(=O)N(C)C CN(C)C(=O)[*:1] CC(C)c1ccccc1NC(=O)NCC[*:1]
CC(C)c1ccccc1NC(=O)CCc1cn2cccnc2n1 CC(C)[*:1] O=C(CCc1cn2cccnc2n1)Nc1ccccc1[*:1]
CC1(C)C(NC(=O)N2CC[NH+](CC(=O)[O-])CC2)C1(C)C O=C([O-])[*:1] CC1(C)C(NC(=O)N2CC[NH+](CC2)C[*:1])C1(C)C
Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](C(C)C)N3CCOCC3)c(C)n2n1 C1CN(CCO1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)[NH2+]C[C@@H](C(C)C)[*:1]
Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](C(C)C)N3CCOCC3)c(C)n2n1 CC(C)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)[NH2+]C[C@@H](N1CCOCC1)[*:1]
CS(=O)(=O)c1ccc2nc(NC(=O)c3cc4c(s3)CCCCCC4)sc2c1 CS(=O)(=O)[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1cc2CCCCCCc2s1
FC(F)n1nccc1-c1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 FC(F)n1nccc1[*:1] Clc1cccc(Cl)c1Cn1ccc(n1)Nc1nnc(s1)[*:1]
FC(F)n1nccc1-c1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 Clc1cccc(Cl)c1C[*:1] FC(F)n1nccc1-c1nnc(Nc2ccn(n2)[*:1])s1
FC(F)n1nccc1-c1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 Clc1cccc(Cl)c1[*:1] FC(F)n1nccc1-c1nnc(Nc2ccn(C[*:1])n2)s1
FC(F)n1nccc1-c1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 FC(F)[*:1] Clc1cccc(Cl)c1Cn1ccc(n1)Nc1nnc(s1)-c1ccnn1[*:1]
CN(C)c1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1 CN(C)[*:1] O=C(Nc1ccc(cc1)-c1csc(n1)N1CCOCC1)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1 C1CN(CCO1)[*:1] CN(C)c1cccc(c1)C(=O)Nc1ccc(cc1)-c1csc(n1)[*:1]
CN(C)c1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1 CN(C)c1cccc(c1)[*:1] O=C(Nc1ccc(cc1)-c1csc(n1)N1CCOCC1)[*:1]
CCOc1ccc(C[C@H]2CCCC[NH2+]2)cc1 CCO[*:1] c1cc(ccc1C[C@H]1CCCC[NH2+]1)[*:1]
CO[C@]1(C)C[C@H](NC(=O)CNC(=O)c2ccc(F)cc2F)C1(C)C Fc1ccc(c(F)c1)[*:1] CO[C@]1(C)C[C@H](NC(=O)CNC(=O)[*:1])C1(C)C
CN(Cc1nnc2n1CCCCC2)C(=O)C1CCCC1 C1CCC(C1)[*:1] CN(Cc1nnc2CCCCCn21)C(=O)[*:1]
Cc1cc(CN2CCN(C)C(=O)C2(C)C)c(C)n1CCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1cc(CN2CCN(C)C(=O)C2(C)C)c(C)n1C[*:1]
Cc1cc(CN2CCN(C)C(=O)C2(C)C)c(C)n1CCN1CCOCC1 C1CN(CCO1)[*:1] Cc1cc(CN2CCN(C)C(=O)C2(C)C)c(C)n1CC[*:1]
Cc1cc(CN2CCN(C)C(=O)C2(C)C)c(C)n1CCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1cc(CN2CCN(C)C(=O)C2(C)C)c(C)n1[*:1]
CS(=O)(=O)c1nc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c2ccccn12 CS(=O)(=O)[*:1] O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1nc(n2ccccc12)[*:1]
COC(=O)CN(C)C(=O)c1coc(C[NH+]2CCN(c3ccccc3F)CC2)n1 COC(=O)C[*:1] CN(C(=O)c1coc(C[NH+]2CCN(CC2)c2ccccc2F)n1)[*:1]
COC(=O)CN(C)C(=O)c1coc(C[NH+]2CCN(c3ccccc3F)CC2)n1 Fc1ccccc1[*:1] COC(=O)CN(C)C(=O)c1coc(C[NH+]2CCN(CC2)[*:1])n1
COC(=O)CN(C)C(=O)c1coc(C[NH+]2CCN(c3ccccc3F)CC2)n1 COC(=O)CN(C)C(=O)[*:1] Fc1ccccc1N1CC[NH+](CC1)Cc1nc(co1)[*:1]
COC(=O)CN(C)C(=O)c1coc(C[NH+]2CCN(c3ccccc3F)CC2)n1 COC(=O)[*:1] CN(C[*:1])C(=O)c1coc(C[NH+]2CCN(CC2)c2ccccc2F)n1
COc1cccc(C(=O)N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)c1ncnc2c(nsc12)[*:1]
COc1cccc(C(=O)N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)c1 COc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1ncnc2c(nsc12)-c1ccccc1)[*:1]
C[C@H](CC(=O)N(C)C[C@H](O)C1CC1)c1ccccc1C(F)(F)F O[C@@H](C[*:1])C1CC1 C[C@H](CC(=O)N(C)[*:1])c1ccccc1C(F)(F)F
C[C@H](CC(=O)N(C)C[C@H](O)C1CC1)c1ccccc1C(F)(F)F C1CC1[*:1] C[C@H](CC(=O)N(C)C[C@H](O)[*:1])c1ccccc1C(F)(F)F
C[C@H](CC(=O)N(C)C[C@H](O)C1CC1)c1ccccc1C(F)(F)F O[C@H](C1CC1)[*:1] C[C@H](CC(=O)N(C)C[*:1])c1ccccc1C(F)(F)F
C[C@H](CC(=O)N(C)C[C@H](O)C1CC1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@H](CC(=O)N(C)C[C@H](O)C1CC1)c1ccccc1[*:1]
CCC(=O)N1CCCC[C@@H]1C(=O)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] CCC(=O)N1CCCC[C@@H]1C(=O)N1CCn2c(C1)nnc2[*:1]
c1ccc(CCn2nnnc2[C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)[C@@H](c1nnnn1CC[*:1])[NH+]1CCN(CC1)c1ccccc1
c1ccc(CCn2nnnc2[C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)CCn1nnnc1[C@H](c1ccccc1)[NH+]1CCN(CC1)[*:1]
c1ccc(CCn2nnnc2[C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)CCn1nnnc1[C@H]([NH+]1CCN(CC1)c1ccccc1)[*:1]
c1ccc(CCn2nnnc2[C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)[C@@H](c1nnnn1C[*:1])[NH+]1CCN(CC1)c1ccccc1
c1ccc(CCn2nnnc2[C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)CC[*:1] c1ccc(cc1)[C@@H](c1nnnn1[*:1])[NH+]1CCN(CC1)c1ccccc1
CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(N[C@@H](C)C(C)C)c2C)C1 CC(=O)N[*:1] Cc1c(cccc1C(=O)N1CCC[C@H](C1)[*:1])N[C@@H](C)C(C)C
CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(N[C@@H](C)C(C)C)c2C)C1 CC(C)[C@H](C)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)c1cccc(N[*:1])c1C
CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(N[C@@H](C)C(C)C)c2C)C1 CC(C)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)c1cccc(N[C@@H](C)[*:1])c1C
CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(N[C@@H](C)C(C)C)c2C)C1 CC(C)[C@H](C)N[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)c1cccc(c1C)[*:1]
CO/C([O-])=C1/C(=O)N=C(SCC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C#N)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CO/C([O-])=C1/C(=O)N=C(SCC(=O)Nc2ccc3OCOc3c2)[C@@H](C#N)[C@@H]1[*:1]
CO/C([O-])=C1/C(=O)N=C(SCC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C#N)[C@H]1c1ccc(Cl)cc1 c1cc2OCOc2cc1[*:1] CO/C([O-])=C1/C(=O)N=C(SCC(=O)N[*:1])[C@@H](C#N)[C@H]1c1ccc(Cl)cc1
CCN(C(=O)CSc1nnc(-c2ccoc2C)o1)c1ccccc1 Cc1occc1[*:1] CCN(C(=O)CSc1nnc(o1)[*:1])c1ccccc1
CCN(C(=O)CSc1nnc(-c2ccoc2C)o1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CSc1nnc(o1)-c1ccoc1C)[*:1]
Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2ccccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1CC(=O)NCCNS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2ccccc2C)cc1 Cc1ccccc1C[*:1] Cc1ccc(cc1)S(=O)(=O)NCCNC(=O)[*:1]
Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2ccccc2C)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)NCCNC(=O)C[*:1]
CC(=O)[C@@H](C)c1nc([C@@H]2C[NH+]3CCN2CC3)no1 CC(=O)[*:1] C[C@@H](c1nc(no1)[C@@H]1C[NH+]2CCN1CC2)[*:1]
CC(=O)[C@@H](C)c1nc([C@@H]2C[NH+]3CCN2CC3)no1 CC(=O)[C@@H](C)[*:1] C1C[NH+]2CCN1[C@@H](C2)c1noc(n1)[*:1]
O=C1c2ccccc2C2=c3c1cccc3=[NH+]C(=O)[C@@H]2[NH2+]C1CCCCC1 C1CCC(CC1)[*:1] O=C1c2ccccc2C2=c3c1cccc3=[NH+]C(=O)[C@@H]2[NH2+][*:1]
COc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1n[nH]c(n1)SCC(=O)NC[*:1]
COc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1n[nH]c(n1)SCC(=O)N[*:1]
COc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc(C)cc3)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)CSc1nc(n[nH]1)[*:1]
COCCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1cccnc1 c1cncc(c1)[*:1] COCCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1[*:1]
COCCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1cccnc1 COC[*:1] Cc1cc2oc3C(=O)N(CC[*:1])[C@@H](c4cccnc4)c3c(=O)c2cc1C
COCCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1cccnc1 COCC[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@@H](c4cccnc4)c3c(=O)c2cc1C
COCCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1cccnc1 COCCC[*:1] Cc1cc2oc3C(=O)N([C@@H](c4cccnc4)c3c(=O)c2cc1C)[*:1]
COc1ccccc1[C@@H]1CN(CC(=O)NCc2cccc(C)n2)Cc2ccccc2O1 Cc1cccc(C[*:1])n1 COc1ccccc1[C@@H]1CN(CC(=O)N[*:1])Cc2ccccc2O1
COc1ccccc1[C@@H]1CN(CC(=O)NCc2cccc(C)n2)Cc2ccccc2O1 COc1ccccc1[*:1] Cc1cccc(CNC(=O)CN2Cc3ccccc3O[C@@H](C2)[*:1])n1
COc1ccccc1[C@@H]1CN(CC(=O)NCc2cccc(C)n2)Cc2ccccc2O1 Cc1cccc(n1)[*:1] COc1ccccc1[C@@H]1CN(CC(=O)NC[*:1])Cc2ccccc2O1
CC[NH2+][C@]1(CO)CC[C@@H](Sc2ccc(C(C)(C)C)cc2)C1 CC(C)(C)[*:1] CC[NH2+][C@]1(CO)CC[C@H](C1)Sc1ccc(cc1)[*:1]
C[C@@H]1Sc2ccc(C(=O)Nc3ccncc3)cc2NC1=O c1cc(ccn1)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N[*:1]
CN(CC(=O)N1CCOCC1)C(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(CC(=O)N1CCOCC1)C(=O)C[C@@H](O)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1c(C)n[nH]c1C N#Cc1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)[C@H](C)Cc1c(C)n[nH]c1C
CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)C[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1c(C)n[nH]c1C CCC[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1c(C)n[nH]c1C Cc1n[nH]c(C)c1C[*:1] CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[*:1]
O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)c1ccccc1[*:1]
O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)c1ccccc1-c1ccc(cc1)[*:1]
O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 c1nnnn1[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1-c1ccc(cc1)C(F)(F)F
CC[C@@](C)(C[NH3+])[C@@](C)(O)CCOC COCC[*:1] CC[C@@](C)(C[NH3+])[C@@](C)(O)[*:1]
CC[C@@](C)(C[NH3+])[C@@](C)(O)CCOC COC[*:1] CC[C@@](C)(C[NH3+])[C@@](C)(O)C[*:1]
COC(=O)NCCc1nc(COc2ccc(Cl)cc2Cl)no1 COC(=O)N[*:1] Clc1ccc(OCc2noc(CC[*:1])n2)c(Cl)c1
COC(=O)NCCc1nc(COc2ccc(Cl)cc2Cl)no1 COC(=O)NCC[*:1] Clc1ccc(OCc2noc(n2)[*:1])c(Cl)c1
COC(=O)NCCc1nc(COc2ccc(Cl)cc2Cl)no1 COC(=O)NC[*:1] Clc1ccc(OCc2noc(C[*:1])n2)c(Cl)c1
CC(C)CCN(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 CC(C)CC[*:1] CN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)[*:1]
CC(C)CCN(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 CC(C)C[*:1] CN(C[*:1])C(=O)CCS(=O)(=O)c1ccc(Cl)cc1
CC(C)CCN(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 CC(C)[*:1] CN(CC[*:1])C(=O)CCS(=O)(=O)c1ccc(Cl)cc1
CC(C)CCN(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)CCN(C)C(=O)CCS(=O)(=O)[*:1]
CC(=O)N1Cc2ccccc2OC2(CC[NH+](CC(=O)N3CCCCC3)CC2)C1 O=C(N1CCCCC1)[*:1] CC(=O)N1Cc2ccccc2OC2(CC[NH+](CC2)C[*:1])C1
CC(=O)N1Cc2ccccc2OC2(CC[NH+](CC(=O)N3CCCCC3)CC2)C1 O=C(C[*:1])N1CCCCC1 CC(=O)N1Cc2ccccc2OC2(CC[NH+](CC2)[*:1])C1
CC(C)n1nnnc1SCCC(=O)Nc1cccc(C#N)c1 CC(C)[*:1] N#Cc1cccc(c1)NC(=O)CCSc1nnnn1[*:1]
O=C(CSc1ccncc1)N(Cc1ccco1)CC(F)(F)F c1coc(c1)[*:1] O=C(CSc1ccncc1)N(CC(F)(F)F)C[*:1]
O=C(CSc1ccncc1)N(Cc1ccco1)CC(F)(F)F c1cc(ccn1)[*:1] O=C(CS[*:1])N(Cc1ccco1)CC(F)(F)F
O=C(CSc1ccncc1)N(Cc1ccco1)CC(F)(F)F c1cc(ccn1)S[*:1] O=C(C[*:1])N(Cc1ccco1)CC(F)(F)F
O=C(CSc1ccncc1)N(Cc1ccco1)CC(F)(F)F FC(F)(F)[*:1] O=C(CSc1ccncc1)N(Cc1ccco1)C[*:1]
O=C(CSc1ccncc1)N(Cc1ccco1)CC(F)(F)F FC(F)(F)C[*:1] O=C(CSc1ccncc1)N(Cc1ccco1)[*:1]
O=C(CSc1ccncc1)N(Cc1ccco1)CC(F)(F)F c1coc(c1)C[*:1] O=C(CSc1ccncc1)N(CC(F)(F)F)[*:1]
CC[C@@H](CSC)N(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H](CSC)N(C)C(=O)/C=C/c1ccc(F)cc1[*:1]
CC[C@@H](CSC)N(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] CSC[*:1] CC[C@@H](N(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[*:1]
CCOc1ccc(Cl)c(C(=O)NCCc2ncnn2C)n1 Cn1ncnc1[*:1] CCOc1ccc(Cl)c(n1)C(=O)NCC[*:1]
CCOc1ccc(Cl)c(C(=O)NCCc2ncnn2C)n1 Cn1ncnc1C[*:1] CCOc1ccc(Cl)c(n1)C(=O)NC[*:1]
CCOc1ccc(Cl)c(C(=O)NCCc2ncnn2C)n1 CCO[*:1] Cn1ncnc1CCNC(=O)c1nc(ccc1Cl)[*:1]
C[C@H](C(N)=O)N1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1 C[C@H](C(N)=O)[*:1] Fc1ccc(cc1)Oc1ccnc(n1)N1CCN(CC1)[*:1]
C[C@H](C(N)=O)N1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1 Fc1ccc(cc1)O[*:1] C[C@H](C(N)=O)N1CCN(CC1)c1nccc(n1)[*:1]
C[C@H](C(N)=O)N1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1 NC(=O)[*:1] C[C@H](N1CCN(CC1)c1nccc(n1)Oc1ccc(F)cc1)[*:1]
C[C@H](C(N)=O)N1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1 Fc1ccc(cc1)[*:1] C[C@H](C(N)=O)N1CCN(CC1)c1nccc(n1)O[*:1]
Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCN(c3ncccn3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nnc(Cc2ccccc2)n1[*:1])N1CCN(CC1)c1ncccn1
Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCN(c3ncccn3)CC2)c1 c1cnc(nc1)[*:1] Cc1cccc(c1)-n1c(Cc2ccccc2)nnc1SCC(=O)N1CCN(CC1)[*:1]
Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCN(c3ncccn3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-n1c(C[*:1])nnc1SCC(=O)N1CCN(CC1)c1ncccn1
Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCN(c3ncccn3)CC2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)-n1c(nnc1[*:1])SCC(=O)N1CCN(CC1)c1ncccn1
CCCN(Cc1ccsc1)C(=O)c1cc(-c2ccccc2)on1 c1cc(cs1)C[*:1] CCCN(C(=O)c1cc(on1)-c1ccccc1)[*:1]
CCCN(Cc1ccsc1)C(=O)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] CCCN(Cc1ccsc1)C(=O)c1cc(on1)[*:1]
CCCN(Cc1ccsc1)C(=O)c1cc(-c2ccccc2)on1 c1cc(cs1)[*:1] CCCN(C[*:1])C(=O)c1cc(on1)-c1ccccc1
CCCN(Cc1ccsc1)C(=O)c1cc(-c2ccccc2)on1 CCC[*:1] O=C(c1cc(on1)-c1ccccc1)N(Cc1ccsc1)[*:1]
CC(C)n1cc(Br)cc1C(=O)Nc1c(F)cccc1F CC(C)[*:1] O=C(Nc1c(F)cccc1F)c1cc(Br)cn1[*:1]
O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCOCC1 C1CC(CCO1)[*:1] O=C(Cn1cc(cn1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCOCC1 O=[N+]([O-])[*:1] O=C(Cn1cc(cn1)-c1ccc(cc1)[*:1])C1CCOCC1
C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[C@@H](C#N)c1ccc(F)cn1 Fc1cccc(c1)[*:1] C[C@@H](CC(=O)[*:1])C(=O)[C@@H](C#N)c1ccc(F)cn1
C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[C@@H](C#N)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[C@@H](C#N)[*:1]
CCCc1n[nH]c(C(=O)N[C@H](C)CC(=O)[O-])n1 O=C([O-])C[*:1] CCCc1n[nH]c(n1)C(=O)N[C@H](C)[*:1]
CCCc1n[nH]c(C(=O)N[C@H](C)CC(=O)[O-])n1 CCC[*:1] C[C@H](CC(=O)[O-])NC(=O)c1nc(n[nH]1)[*:1]
CCCc1n[nH]c(C(=O)N[C@H](C)CC(=O)[O-])n1 O=C([O-])[*:1] CCCc1n[nH]c(n1)C(=O)N[C@H](C)C[*:1]
O=C(NCC1(O)CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 OC1(CCCCC1)[*:1] O=C(NC[*:1])[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
C[C@@H]1CC[C@@H](NC(=O)CNCC(F)(F)F)[C@@H]1C FC(F)(F)C[*:1] C[C@@H]1CC[C@@H](NC(=O)CN[*:1])[C@@H]1C
C[C@@H]1CC[C@@H](NC(=O)CNCC(F)(F)F)[C@@H]1C FC(F)(F)[*:1] C[C@@H]1CC[C@@H](NC(=O)CNC[*:1])[C@@H]1C
NC(=O)c1cc(Cl)nnc1N1CCC[C@@H]([NH+]2CCCCCC2)C1 NC(=O)[*:1] Clc1cc(c(nn1)N1CCC[C@H](C1)[NH+]1CCCCCC1)[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccc(F)cc2)CCO1 Fc1ccc(cc1)[*:1] COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(CCO1)C[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccc(F)cc2)CCO1 COCCNC(=O)[*:1] Fc1ccc(cc1)CN1CCO[C@H](C1)c1c(sc2ccccc12)[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccc(F)cc2)CCO1 Fc1ccc(cc1)C[*:1] COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(CCO1)[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccc(F)cc2)CCO1 COC[*:1] O=C(NC[*:1])c1sc2ccccc2c1[C@H]1CN(CCO1)Cc1ccc(F)cc1
COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccc(F)cc2)CCO1 COCC[*:1] O=C(N[*:1])c1sc2ccccc2c1[C@H]1CN(CCO1)Cc1ccc(F)cc1
Cc1nc(-c2cccc(Cl)c2)[nH]c1/C([O-])=N/S(=O)(=O)CCCF FCCC[*:1] Cc1nc([nH]c1/C([O-])=N/S(=O)(=O)[*:1])-c1cccc(Cl)c1
Cc1nc(-c2cccc(Cl)c2)[nH]c1/C([O-])=N/S(=O)(=O)CCCF Clc1cccc(c1)[*:1] Cc1nc([nH]c1/C([O-])=N/S(=O)(=O)CCCF)[*:1]
Cc1nc(-c2cccc(Cl)c2)[nH]c1/C([O-])=N/S(=O)(=O)CCCF FCC[*:1] Cc1nc([nH]c1/C([O-])=N/S(=O)(=O)C[*:1])-c1cccc(Cl)c1
Nc1cccc2oc(NC[C@H]3CCCO3)nc12 C1CO[C@H](C1)[*:1] Nc1cccc2oc(nc12)NC[*:1]
CCc1nn(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CCc1nn(C)cc1NS(=O)(=O)c1ccc(cc1Cl)[*:1]
CC(C)(NC(=O)C[C@H]1CCOc2ccccc21)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(NC(=O)C[C@H]1CCOc2ccccc21)[*:1]
O=C(NCCc1ccccc1)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 c1ccc(cc1)CC[*:1] O=C(N[*:1])c1cccc(c1)NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1
O=C(NCCc1ccccc1)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1cccc(c1)NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1
O=C(NCCc1ccccc1)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1cccc(c1)NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1
COc1ccccc1CNC(=O)Cc1csc(-c2ccccc2Cl)n1 COc1ccccc1[*:1] O=C(Cc1csc(n1)-c1ccccc1Cl)NC[*:1]
COc1ccccc1CNC(=O)Cc1csc(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] COc1ccccc1CNC(=O)Cc1csc(n1)[*:1]
CC(C)[C@@H](NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-] CC(C)[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])/C(=C\c1ccccc1F)NC(=O)c1ccccc1
CC(C)[C@@H](NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-] O=C(N[*:1])c1ccccc1 CC(C)[C@@H](NC(=O)C(=Cc1ccccc1F)[*:1])C(=O)[O-]
CC(C)[C@@H](NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)/C(=C\c1ccccc1F)NC(=O)[*:1])C(=O)[O-]
CC(C)[C@@H](NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-] Fc1ccccc1[*:1] CC(C)[C@@H](NC(=O)C(=C[*:1])NC(=O)c1ccccc1)C(=O)[O-]
CC(C)[C@@H](NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1)[*:1]
COc1cccc(C[C@@H](NC(C)=O)C(=O)N2C[C@H](C)O[C@H](C)C2)c1 CC(=O)N[*:1] COc1cccc(c1)C[C@@H](C(=O)N1C[C@H](C)O[C@H](C)C1)[*:1]
COc1cccc(C[C@@H](NC(C)=O)C(=O)N2C[C@H](C)O[C@H](C)C2)c1 COc1cccc(c1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)N1C[C@H](C)O[C@H](C)C1
COC(=O)Nc1cc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)ccc1F COC(=O)N[*:1] O=C(Nc1ccc(F)c(c1)[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
Cc1cc(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)no1 Cc1cc(no1)[*:1] O=C(CCN1CCN(CC1)C(=O)[C@H]1CCCO1)N[*:1]
O=C1NCCN[C@@H]1c1cccc(C2CC2)c1 C1CC1[*:1] O=C1NCCN[C@@H]1c1cccc(c1)[*:1]
COc1ccc([N+](=O)[O-])cc1CSc1nc2scc(-c3cccs3)c2c(=O)n1C O=[N+]([O-])[*:1] COc1ccc(cc1CSc1nc2scc(-c3cccs3)c2c(=O)n1C)[*:1]
COc1ccc([N+](=O)[O-])cc1CSc1nc2scc(-c3cccs3)c2c(=O)n1C c1csc(c1)[*:1] COc1ccc(cc1CSc1nc2scc(c2c(=O)n1C)[*:1])[N+](=O)[O-]
COC(=O)[C@](C)(NCC(=O)NC1CCCC1)C1CC1 C1CC1[*:1] COC(=O)[C@](C)(NCC(=O)NC1CCCC1)[*:1]
COC(=O)[C@](C)(NCC(=O)NC1CCCC1)C1CC1 C1CCC(C1)[*:1] COC(=O)[C@](C)(NCC(=O)N[*:1])C1CC1
COC(=O)[C@](C)(NCC(=O)NC1CCCC1)C1CC1 COC(=O)[*:1] C[C@](NCC(=O)NC1CCCC1)(C1CC1)[*:1]
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)NCc2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)[C@H]2CCCN2C(=O)NC[*:1])c(c1)OC
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)NCc2ccccc2)c(OC)c1 c1ccc(cc1)C[*:1] COc1ccc(NC(=O)[C@H]2CCCN2C(=O)N[*:1])c(c1)OC
Cn1ccnc1C(=O)C1(N2CCCCC2)CCCC1 C1CCN(CC1)[*:1] Cn1ccnc1C(=O)C1(CCCC1)[*:1]
Cn1ccnc1C(=O)C1(N2CCCCC2)CCCC1 Cn1ccnc1[*:1] O=C(C1(CCCC1)N1CCCCC1)[*:1]
Cc1ccc(C(=O)NCCNC(=O)N(C)Cc2nccs2)cc1F Cc1ccc(cc1F)[*:1] CN(Cc1nccs1)C(=O)NCCNC(=O)[*:1]
Cc1ccc(C(=O)NCCNC(=O)N(C)Cc2nccs2)cc1F c1csc(C[*:1])n1 Cc1ccc(cc1F)C(=O)NCCNC(=O)N(C)[*:1]
Cc1ccc(C(=O)NCCNC(=O)N(C)Cc2nccs2)cc1F c1csc(n1)[*:1] Cc1ccc(cc1F)C(=O)NCCNC(=O)N(C)C[*:1]
COC(=O)Nc1cccc(C(=O)N(C)c2cccc(C(C)C)c2)c1 COC(=O)N[*:1] CC(C)c1cccc(c1)N(C)C(=O)c1cccc(c1)[*:1]
COC(=O)Nc1cccc(C(=O)N(C)c2cccc(C(C)C)c2)c1 CC(C)[*:1] COC(=O)Nc1cccc(c1)C(=O)N(C)c1cccc(c1)[*:1]
COc1cc2nc(CN3CCC[C@H]([C@H](C)O)C3)[nH]c(=O)c2cc1OC C[C@H](O)[*:1] COc1cc2nc(CN3CCC[C@H](C3)[*:1])[nH]c(=O)c2cc1OC
Cc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1nnc(s1)[*:1])c1cccc(c1)[N+](=O)[O-]
Cc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(-c2nnc(NC(=O)c3cccc(c3)[*:1])s2)c(C)c1
C[C@H](CCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 CC(C)(C)[*:1] C[C@H](CCNC(=O)[C@@H]1CCN(C1)C(=O)O[*:1])c1ccccc1
C[C@H](CCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CCNC(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
C[C@H](CCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 C[C@H](c1ccccc1)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)C(=O)NCC[*:1]
CC[C@H](C)CS(=O)(=O)Cc1nc(C)c(C)s1 CC[C@H](C)[*:1] Cc1nc(CS(=O)(=O)C[*:1])sc1C
CC[C@H](C)CS(=O)(=O)Cc1nc(C)c(C)s1 CC[C@H](C)C[*:1] Cc1nc(CS(=O)(=O)[*:1])sc1C
COCCOc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cn1 COC[*:1] O=C(Nc1ccc(nc1)OC[*:1])N1CCC[C@@H]2CCC[C@@H]21
COCCOc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cn1 COCC[*:1] O=C(Nc1ccc(nc1)O[*:1])N1CCC[C@@H]2CCC[C@@H]21
COCCOc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cn1 COCCO[*:1] O=C(Nc1ccc(nc1)[*:1])N1CCC[C@@H]2CCC[C@@H]21
Cc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 Cc1ccc(cc1)[*:1] O=C(CCCNS(=O)(=O)c1ccc2CCCCc2c1)N[*:1]
CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1ccn(C)n1 Cn1ccc(n1)[*:1] CN(Cc1ccc(cc1)Oc1ccccc1)C(=O)[*:1]
CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1ccn(C)n1 c1ccc(cc1)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1ccn(C)n1
CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1ccn(C)n1 c1ccc(cc1)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)c1ccn(C)n1
Cc1ccnc(-c2ccc(NC(=O)N3CCC[C@H]3c3c(C)n[nH]c3C)cc2)n1 Cc1n[nH]c(C)c1[*:1] Cc1ccnc(n1)-c1ccc(cc1)NC(=O)N1CCC[C@@H]1[*:1]
Cc1ccnc(-c2ccc(NC(=O)N3CCC[C@H]3c3c(C)n[nH]c3C)cc2)n1 Cc1ccnc(n1)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
O=C(Oc1ccc2c(c1)CCC2)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=C(Oc1ccc2CCCc2c1)c1cccc(c1)[*:1]
Cc1c(NC(=O)C2C[C@H](C)O[C@@H](C)C2)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C1C[C@H](C)O[C@@H](C)C1
CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C)OCC3(C)C)cc2)CC1 CC(C)[*:1] C[C@H]1CN(C(=O)c2ccc(cc2)N2CC[NH+](CC2)[*:1])C(C)(C)CO1
O=C(CSc1nnc(-c2cccnc2)o1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 c1cncc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])N1N=C(C[C@@H]1c1ccco1)c1cccs1
O=C(CSc1nnc(-c2cccnc2)o1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(CSc1nnc(o1)-c1cccnc1)N1N=C(C[C@H]1[*:1])c1cccs1
O=C(CSc1nnc(-c2cccnc2)o1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 c1csc(c1)[*:1] O=C(CSc1nnc(o1)-c1cccnc1)N1N=C(C[C@@H]1c1ccco1)[*:1]
COc1cc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)ccc1F COc1cc(ccc1F)[*:1] Cc1ccc(cc1)-n1nc(C)c2c1NC(=O)C[C@@H]2C(=O)[*:1]
COc1cc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)ccc1F Cc1ccc(cc1)[*:1] COc1cc(ccc1F)C(=O)[C@H]1CC(=O)Nc2c1c(C)nn2[*:1]
CN(CCC#N)C(=O)CN1CC[NH+](C[C@H](O)C(C)(C)C)CC1 CC(C)(C)[*:1] CN(CCC#N)C(=O)CN1CC[NH+](CC1)C[C@H](O)[*:1]
CN(CCC#N)C(=O)CN1CC[NH+](C[C@H](O)C(C)(C)C)CC1 N#CC[*:1] CN(C[*:1])C(=O)CN1CC[NH+](CC1)C[C@H](O)C(C)(C)C
CN(CCC#N)C(=O)CN1CC[NH+](C[C@H](O)C(C)(C)C)CC1 N#CCC[*:1] CN(C(=O)CN1CC[NH+](CC1)C[C@H](O)C(C)(C)C)[*:1]
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 NS(=O)(=O)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccccc1Br
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 Brc1ccccc1[*:1] NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
C/C(=N/[NH+]=C(\N)S[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1=O)c1cccs1 Clc1ccc(Cl)c(c1)[*:1] C/C(=N/[NH+]=C(\N)S[C@@H]1CC(=O)N(C1=O)[*:1])c1cccs1
C/C(=N/[NH+]=C(\N)S[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1=O)c1cccs1 c1csc(c1)[*:1] CC(=N/[NH+]=C(\N)S[C@@H]1CC(=O)N(C1=O)c1cc(Cl)ccc1Cl)[*:1]
CCCOC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl CCCOC(=O)[*:1] O=Cc1ccc(o1)-c1ccc(Cl)c(c1)[*:1]
CCCOC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl CCC[*:1] O=Cc1ccc(o1)-c1ccc(Cl)c(c1)C(=O)O[*:1]
CCc1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)[*:1] CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCc1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 CS(=O)(=O)[*:1] CCc1ccc(cc1)CN(C(=O)c1nc(ncc1Cl)[*:1])[C@H]1CCS(=O)(=O)C1
CCc1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)C[*:1] CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
COC[C@H]1CCCN1Cc1cn2cc(C)ccc2[nH+]1 COC[*:1] Cc1ccc2[nH+]c(cn2c1)CN1CCC[C@@H]1[*:1]
Cc1cccc(OCC(=O)O[C@H]2CC[C@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)OCC(=O)O[C@H]1CC[C@H](C1)[*:1]
Cc1cccc(OCC(=O)O[C@H]2CC[C@H](S(C)(=O)=O)C2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)[C@H]1CC[C@@H](C1)OC(=O)CO[*:1]
COCCCN1[C@@H](C)[C@@H](C)[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H]1NC(=O)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 COCCCN1[C@@H](C)[C@@H](C)[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H]1[*:1]
COCCCN1[C@@H](C)[C@@H](C)[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H]1NC(=O)c1ccc(Cl)cc1 COC[*:1] C[C@@H]1[C@H](C)N(CC[*:1])[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1C1[NH+]=c2ccccc2=[NH+]1
COCCCN1[C@@H](C)[C@@H](C)[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H]1NC(=O)c1ccc(Cl)cc1 COCC[*:1] C[C@@H]1[C@H](C)N(C[*:1])[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1C1[NH+]=c2ccccc2=[NH+]1
COCCCN1[C@@H](C)[C@@H](C)[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H]1NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCCN1[C@@H](C)[C@@H](C)[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H]1NC(=O)[*:1]
COCCCN1[C@@H](C)[C@@H](C)[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H]1NC(=O)c1ccc(Cl)cc1 COCCC[*:1] C[C@@H]1[C@H](C)N([C@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1C1[NH+]=c2ccccc2=[NH+]1)[*:1]
CCOC(=O)C(=O)[C@](Br)(C(N)=O)c1c(C)cc(C)cc1C CCOC(=O)C(=O)[*:1] Cc1cc(C)c(c(C)c1)[C@](Br)(C(N)=O)[*:1]
CCOC(=O)C(=O)[C@](Br)(C(N)=O)c1c(C)cc(C)cc1C NC(=O)[*:1] CCOC(=O)C(=O)[C@](Br)(c1c(C)cc(C)cc1C)[*:1]
CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CCCC[C@H]2c2cccnc2)c1=O CC(C)NC(=O)[*:1] O=C(c1cn(cc(c1=O)[*:1])Cc1ccccc1)N1CCCC[C@H]1c1cccnc1
CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CCCC[C@H]2c2cccnc2)c1=O c1cncc(c1)[*:1] CC(C)NC(=O)c1cn(cc(C(=O)N2CCCC[C@@H]2[*:1])c1=O)Cc1ccccc1
CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CCCC[C@H]2c2cccnc2)c1=O c1ccc(cc1)C[*:1] CC(C)NC(=O)c1cn(cc(C(=O)N2CCCC[C@H]2c2cccnc2)c1=O)[*:1]
CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CCCC[C@H]2c2cccnc2)c1=O c1ccc(cc1)[*:1] CC(C)NC(=O)c1cn(cc(C(=O)N2CCCC[C@H]2c2cccnc2)c1=O)C[*:1]
CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CCCC[C@H]2c2cccnc2)c1=O CC(C)[*:1] O=C(N[*:1])c1cn(cc(C(=O)N2CCCC[C@H]2c2cccnc2)c1=O)Cc1ccccc1
CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(CO)o2)[C@H](CC)C1 OCc1ccc(o1)[*:1] CCC(=O)N1CC[C@H]([NH2+]C[*:1])[C@H](CC)C1
Cn1nccc1CSCCCCC#N N#CCC[*:1] Cn1nccc1CSCC[*:1]
Cn1nccc1CSCCCCC#N N#CC[*:1] Cn1nccc1CSCCC[*:1]
O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(NC1CCCC1)c1ccc(cc1)S(=O)(=O)N1CC=C(CC1)[*:1]
O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1 C1CCC(C1)[*:1] O=S(=O)(N[*:1])c1ccc(cc1)S(=O)(=O)N1CC=C(CC1)c1ccc(F)cc1
O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1 O=S(=O)(NC1CCCC1)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CC=C(CC1)c1ccc(F)cc1
CCc1onc(C)c1NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 c1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)N[C@H](C[NH+](C)C)[*:1]
O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])c1ccccc1[N+](=O)[O-]
O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCC1CC[NH+](CC1)Cc1ccccc1)c1ccccc1[*:1]
O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] c1ccc(cc1)C[*:1] O=C(NCC1CC[NH+](CC1)[*:1])c1ccccc1[N+](=O)[O-]
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1CCC(=O)NC1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)[C@@H]1CCC(=O)NC1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1CCC(=O)NC1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)[C@@H]1CCC(=O)NC1
Cc1ccc(-c2n[n-]c(NC(=O)c3csc(COc4ccc(Cl)cc4)n3)n2)s1 Cc1ccc(s1)[*:1] O=C(Nc1nc(n[n-]1)[*:1])c1csc(COc2ccc(Cl)cc2)n1
Cc1ccc(-c2n[n-]c(NC(=O)c3csc(COc4ccc(Cl)cc4)n3)n2)s1 Clc1ccc(cc1)O[*:1] Cc1ccc(s1)-c1n[n-]c(n1)NC(=O)c1csc(C[*:1])n1
Cc1ccc(-c2n[n-]c(NC(=O)c3csc(COc4ccc(Cl)cc4)n3)n2)s1 Clc1ccc(cc1)[*:1] Cc1ccc(s1)-c1n[n-]c(n1)NC(=O)c1csc(CO[*:1])n1
Cc1ccc(-c2n[n-]c(NC(=O)c3csc(COc4ccc(Cl)cc4)n3)n2)s1 Clc1ccc(cc1)OC[*:1] Cc1ccc(s1)-c1n[n-]c(n1)NC(=O)c1csc(n1)[*:1]
CCC[NH2+][C@H](c1ccn(C)n1)[C@H]1CCO[C@]2(CCOC2)C1 CCC[*:1] Cn1ccc(n1)[C@@H]([NH2+][*:1])[C@H]1CCO[C@]2(CCOC2)C1
CCC[NH2+][C@H](c1ccn(C)n1)[C@H]1CCO[C@]2(CCOC2)C1 Cn1ccc(n1)[*:1] CCC[NH2+][C@H]([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 C1CO[C@H](C1)C[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)O[*:1])c1ccccc1
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 C1CO[C@H](C1)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)OC[*:1])c1ccccc1
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 c1ccc(cc1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)OC[C@H]1CCCO1)[*:1]
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 O=C(OC[C@H]1CCCO1)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1[*:1])c1ccccc1
CCC[C@@](C)(CO)NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C CCC[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N[C@@](C)(CO)[*:1]
Cc1cc(C)cc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)C(=O)N[*:1]
CCNC(=O)c1ccc(NC(=O)[C@@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCNC(=O)c1ccc(cc1)NC(=O)[C@@H](O)[*:1]
CCNC(=O)c1ccc(NC(=O)[C@@H](O)c2ccccc2)cc1 CCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H](O)c1ccccc1
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OC1CCCCC1 Clc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])OC1CCCCC1
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCS(=O)(=O)c1ccc(Cl)cc1)O[*:1]
CC(C)CN1Cc2cccc(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)c2C1=O CC(C)[*:1] O=C1NC2(CCN(CC2)C(=O)c2cccc3CN(C[*:1])C(=O)c32)Oc2ccccc21
CC(C)CN1Cc2cccc(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)c2C1=O CC(C)C[*:1] O=C1NC2(CCN(CC2)C(=O)c2cccc3CN(C(=O)c32)[*:1])Oc2ccccc21
C/C=C/CCNC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC=C[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)NCC[*:1]
C/C=C/CCNC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 C/C=C/C[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)NC[*:1]
C/C=C/CCNC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 C/C=C/CC[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)N[*:1]
C/C=C/CCNC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)[*:1] C/C=C/CCNC(=O)NC1CCC(CC1)[*:1]
C/C=C/CCNC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] C/C=C/CCNC(=O)NC1CCC(CC1)C(=O)O[*:1]
CC[NH+](C)CCNc1nc2c([N+](=O)[O-])cccc2o1 O=[N+]([O-])[*:1] CC[NH+](C)CCNc1nc2c(cccc2o1)[*:1]
N#Cc1ccc(F)c(CSc2nnc(Cc3ccccc3)o2)c1 c1ccc(cc1)[*:1] N#Cc1ccc(F)c(c1)CSc1nnc(C[*:1])o1
N#Cc1ccc(F)c(CSc2nnc(Cc3ccccc3)o2)c1 c1ccc(cc1)C[*:1] N#Cc1ccc(F)c(c1)CSc1nnc(o1)[*:1]
O=C(COCc1ccccc1)Nc1cc(Br)cc(Cl)c1O c1ccc(cc1)C[*:1] O=C(CO[*:1])Nc1cc(Br)cc(Cl)c1O
O=C(COCc1ccccc1)Nc1cc(Br)cc(Cl)c1O c1ccc(cc1)[*:1] O=C(COC[*:1])Nc1cc(Br)cc(Cl)c1O
Cc1cc([N+](=O)[O-])c(C(C)(C)C)cc1C(=O)[O-] CC(C)(C)[*:1] Cc1cc(c(cc1C(=O)[O-])[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])c(C(C)(C)C)cc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(c(cc1[*:1])C(C)(C)C)[N+](=O)[O-]
Cc1cc([N+](=O)[O-])c(C(C)(C)C)cc1C(=O)[O-] O=[N+]([O-])[*:1] Cc1cc(c(cc1C(=O)[O-])C(C)(C)C)[*:1]
COCc1cc(C(=O)N[C@H](C)c2cn(C)nc2C)no1 COC[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(on1)[*:1]
COc1ccccc1CN1CCO[C@H](CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1 COc1ccccc1C[*:1] O=C(c1ccc(F)cc1)N(C[C@@H]1CN(CCO1)[*:1])C1CCCC1
COc1ccccc1CN1CCO[C@H](CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1 C1CCC(C1)[*:1] COc1ccccc1CN1CCO[C@@H](C1)CN(C(=O)c1ccc(F)cc1)[*:1]
COc1ccccc1CN1CCO[C@H](CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1 COc1ccccc1[*:1] O=C(c1ccc(F)cc1)N(C[C@@H]1CN(CCO1)C[*:1])C1CCCC1
COc1ccccc1CN1CCO[C@H](CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1 Fc1ccc(cc1)[*:1] COc1ccccc1CN1CCO[C@@H](C1)CN(C(=O)[*:1])C1CCCC1
O=C([O-])[C@@H]1C=C[C@H](NC(=O)N2CCO[C@@H]3CCC[C@@H]32)C1 O=C([O-])[*:1] O=C(N[C@H]1C=C[C@H](C1)[*:1])N1CCO[C@@H]2CCC[C@@H]21
Cc1cc(C)c(-c2csc(NC(=O)c3snnc3C)n2)c(C)c1 Cc1nnsc1[*:1] Cc1cc(C)c(-c2csc(n2)NC(=O)[*:1])c(C)c1
Cc1cc(C#N)ccc1C(=O)Nc1ccccc1C(=O)C(C)C CC(C)C(=O)[*:1] Cc1cc(C#N)ccc1C(=O)Nc1ccccc1[*:1]
Cc1cc(C#N)ccc1C(=O)Nc1ccccc1C(=O)C(C)C CC(C)[*:1] Cc1cc(C#N)ccc1C(=O)Nc1ccccc1C(=O)[*:1]
COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)C2 CC(C)[*:1] COc1ccc2C[C@@H](COc2c1)[NH2+][C@@H](C)c1cnn(c1)[*:1]
Cc1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)no1 Cc1cc(no1)[*:1] CN1CC2(CCN(CC2)C(=O)[*:1])C[C@@H](C1=O)c1ccccc1
Cc1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)no1 c1ccc(cc1)[*:1] Cc1cc(no1)C(=O)N1CCC2(CC1)C[C@H](C(=O)N(C)C2)[*:1]
CC(C)CCOc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 CC(C)C[*:1] [NH2+]=C1Nc2nc3ccccc3n2[C@H](N1)c1ccc(cc1)OC[*:1]
CC(C)CCOc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 CC(C)[*:1] [NH2+]=C1Nc2nc3ccccc3n2[C@H](N1)c1ccc(cc1)OCC[*:1]
CC(C)CCOc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 CC(C)CCO[*:1] [NH2+]=C1Nc2nc3ccccc3n2[C@H](N1)c1ccc(cc1)[*:1]
CC(C)CCOc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 CC(C)CC[*:1] [NH2+]=C1Nc2nc3ccccc3n2[C@H](N1)c1ccc(cc1)O[*:1]
COc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1OC COc1ccc(cc1OC)[*:1] C[C@H]1CCC[C@@H](NC(=O)[C@]2(C)Cn3c(cc4occc43)C(=O)N2[*:1])[C@@H]1C
CCCc1cc(=O)oc2cc(OCC(=O)N3CCN(c4cccc[nH+]4)CC3)ccc12 CCC[*:1] O=C(COc1ccc2c(cc(=O)oc2c1)[*:1])N1CCN(CC1)c1cccc[nH+]1
Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1nccs1 c1csc(n1)[*:1] Cc1ccccc1-n1c(C)nnc1SCC(=O)N[*:1]
Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1nccs1 Cc1ccccc1[*:1] Cc1nnc(SCC(=O)Nc2nccs2)n1[*:1]
CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 CC(=O)N[*:1] C1C[NH+]2CCN1[C@@H](C2)C[*:1]
CCn1cc(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c(C(C)C)n1 CC(C)[*:1] CCn1cc(C(=O)NCc2ccc([nH+]c2)N2CCC(C)CC2)c(n1)[*:1]
CCn1cc(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c(C(C)C)n1 CC1CCN(CC1)[*:1] CCn1cc(C(=O)NCc2ccc([nH+]c2)[*:1])c(n1)C(C)C
CCCc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)n(C)n1 Fc1ccc(cc1)[*:1] CCCc1cc(NC(=O)c2cnn(c2C)[*:1])n(C)n1
CCCc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)n(C)n1 CCC[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)Nc1cc(nn1C)[*:1]
CN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C)[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] CN(C(=O)CSc1nnc(n1C)[*:1])[C@@H]1CCS(=O)(=O)C1
CN1CCO[C@@H](C(=O)N2CCN(CC3CC3)c3ccccc32)C1 C1CC1[*:1] CN1CCO[C@H](C1)C(=O)N1CCN(C[*:1])c2ccccc21
CN1CCO[C@@H](C(=O)N2CCN(CC3CC3)c3ccccc32)C1 C1CC1C[*:1] CN1CCO[C@H](C1)C(=O)N1CCN(c2ccccc21)[*:1]
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 CC(C)(C)OC(=O)N[*:1] Cc1cc(ccc1C(=O)N1CCC[C@H](C1)C[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 O=[N+]([O-])[*:1] Cc1cc(ccc1C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[*:1]
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1cc(ccc1C(=O)N1CCC[C@@H](CNC(=O)O[*:1])C1)[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 CC(C)(C)OC(=O)NC[*:1] Cc1cc(ccc1C(=O)N1CCC[C@@H](C1)[*:1])[N+](=O)[O-]
CSc1ccc(Cl)c(C(=O)NCCCCC(N)=O)c1 NC(=O)CCC[*:1] CSc1ccc(Cl)c(c1)C(=O)NC[*:1]
CSc1ccc(Cl)c(C(=O)NCCCCC(N)=O)c1 NC(=O)CC[*:1] CSc1ccc(Cl)c(c1)C(=O)NCC[*:1]
CSc1ccc(Cl)c(C(=O)NCCCCC(N)=O)c1 NC(=O)C[*:1] CSc1ccc(Cl)c(c1)C(=O)NCCC[*:1]
CSc1ccc(Cl)c(C(=O)NCCCCC(N)=O)c1 NC(=O)[*:1] CSc1ccc(Cl)c(c1)C(=O)NCCCC[*:1]
CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)s1 Cc1ccc(cc1C)[*:1] CC(=O)NCc1ccc(s1)S(=O)(=O)N1CCC[C@@H]1[*:1]
CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)s1 CC(=O)NC[*:1] Cc1ccc(cc1C)[C@@H]1CCCN1S(=O)(=O)c1ccc(s1)[*:1]
CC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)s1 CC(=O)N[*:1] Cc1ccc(cc1C)[C@@H]1CCCN1S(=O)(=O)c1ccc(C[*:1])s1
COc1ccc(CCNC(=O)c2cn(C)c3ccc(OC)cc23)cc1 COc1ccc(cc1)[*:1] COc1ccc2c(c1)c(cn2C)C(=O)NCC[*:1]
Cc1ccn2c(=O)cc(CSCC(=O)Nc3cccc(C)c3C)nc2c1 Cc1cccc(c1C)[*:1] Cc1ccn2c(=O)cc(CSCC(=O)N[*:1])nc2c1
CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C CC[C@H](C)[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)[NH2+]C[C@@](C)(O)[*:1]
CCC[NH2+][C@@H](c1[nH]cc[nH+]1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCC[NH2+][C@@H](c1[nH]cc[nH+]1)[C@@H]1CCC[C@H](C1)[*:1]
CCC[NH2+][C@@H](c1[nH]cc[nH+]1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CCC[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[C@@H]([NH2+][*:1])c1[nH]cc[nH+]1
C/C=C/CN1C(=O)[C@@H]2C(=Nc3nc(C)cn32)N(C)C1=O C/C=C/C[*:1] Cc1cn2c(N=C3[C@H]2C(=O)N(C(=O)N3C)[*:1])n1
C/C=C/CN1C(=O)[C@@H]2C(=Nc3nc(C)cn32)N(C)C1=O CC=C[*:1] Cc1cn2c(N=C3[C@H]2C(=O)N(C[*:1])C(=O)N3C)n1
COCCCNc1ccc(N)c(OC(C)(C)C)n1 COC[*:1] CC(C)(C)Oc1nc(ccc1N)NCC[*:1]
COCCCNc1ccc(N)c(OC(C)(C)C)n1 CC(C)(C)[*:1] COCCCNc1ccc(N)c(n1)O[*:1]
COCCCNc1ccc(N)c(OC(C)(C)C)n1 CC(C)(C)O[*:1] COCCCNc1ccc(N)c(n1)[*:1]
COCCCNc1ccc(N)c(OC(C)(C)C)n1 COCCCN[*:1] CC(C)(C)Oc1nc(ccc1N)[*:1]
COCCCNc1ccc(N)c(OC(C)(C)C)n1 COCC[*:1] CC(C)(C)Oc1nc(ccc1N)NC[*:1]
COCCCNc1ccc(N)c(OC(C)(C)C)n1 COCCC[*:1] CC(C)(C)Oc1nc(ccc1N)N[*:1]
CCN(CC)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 CC(C)[*:1] CCN(CC)C(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
CCN(CC)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 CC(C)O[*:1] CCN(CC)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1nc(SC[C@H]2CC2(Cl)Cl)c(C#N)cc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(SC[C@H]2CC2(Cl)Cl)c(C#N)cc1C(=O)N[*:1]
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NN1C[C@H](CC1=O)C(=O)OCC(=O)[*:1])c1ccc(Cl)c(Cl)c1
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 O=C(C[*:1])c1ccccc1 O=C(NN1C[C@H](CC1=O)C(=O)O[*:1])c1ccc(Cl)c(Cl)c1
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(NN1C[C@H](CC1=O)C(=O)OC[*:1])c1ccc(Cl)c(Cl)c1
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 Clc1ccc(cc1Cl)[*:1] O=C(COC(=O)[C@H]1CC(=O)N(C1)NC(=O)[*:1])c1ccccc1
Cc1c(C#N)c(NC(=O)CSc2ncnc3c2cnn3C)n(C2CCCC2)c1C C1CCC(C1)[*:1] Cc1c(C#N)c(NC(=O)CSc2ncnc3c2cnn3C)n(c1C)[*:1]
N#Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1Cl O=c1[nH]c2ccc(cc2[nH]1)[*:1] N#Cc1cc(ccc1Cl)NC(=O)c1ccccc1NS(=O)(=O)[*:1]
N#Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1Cl N#Cc1cc(ccc1Cl)[*:1] O=C(N[*:1])c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
CC[C@@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)[*:1]
CC1(CNc2ncnc(-n3cccn3)c2N)Cc2ccccc2C1 c1cnn(c1)[*:1] CC1(CNc2ncnc(c2N)[*:1])Cc2ccccc2C1
Nc1ccccc1OC[C@@H](O)CN1CCc2ccccc21 Nc1ccccc1[*:1] O[C@H](CO[*:1])CN1CCc2ccccc21
COCc1nc(CN(C)CC(C)(C)c2ccc(C)cc2)cs1 COC[*:1] Cc1ccc(cc1)C(C)(C)CN(C)Cc1csc(n1)[*:1]
COCc1nc(CN(C)CC(C)(C)c2ccc(C)cc2)cs1 Cc1ccc(cc1)[*:1] COCc1nc(cs1)CN(C)CC(C)(C)[*:1]
COC(=O)[C@@H](C)NCC(=O)Nc1ccc(F)cc1 COC(=O)[C@@H](C)[*:1] O=C(CN[*:1])Nc1ccc(F)cc1
COC(=O)[C@@H](C)NCC(=O)Nc1ccc(F)cc1 COC(=O)[*:1] C[C@@H](NCC(=O)Nc1ccc(F)cc1)[*:1]
COCc1cc(C)nc2sc3c(c12)N[C@H](c1ccccc1C(=O)[O-])n1c-3nc2ccccc21 COC[*:1] Cc1cc(c2c3N[C@H](c4ccccc4C(=O)[O-])n4c(nc5ccccc54)-c3sc2n1)[*:1]
COCc1cc(C)nc2sc3c(c12)N[C@H](c1ccccc1C(=O)[O-])n1c-3nc2ccccc21 O=C([O-])c1ccccc1[*:1] COCc1cc(C)nc2sc3c(N[C@H](n4c-3nc3ccccc34)[*:1])c12
COCc1cc(C)nc2sc3c(c12)N[C@H](c1ccccc1C(=O)[O-])n1c-3nc2ccccc21 O=C([O-])[*:1] COCc1cc(C)nc2sc3c(N[C@H](c4ccccc4[*:1])n4c-3nc3ccccc34)c12
C=CCNC(=O)CN1CCN(C(=O)c2ccco2)CC1 C=CC[*:1] O=C(CN1CCN(CC1)C(=O)c1ccco1)N[*:1]
C=CCNC(=O)CN1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] C=CCNC(=O)CN1CCN(CC1)C(=O)[*:1]
C=CCNC(=O)CN1CCN(C(=O)c2ccco2)CC1 C=CCNC(=O)[*:1] O=C(c1ccco1)N1CCN(CC1)C[*:1]
CCN1C[C@H](C(=O)N(C)Cc2ccccc2N2CCOCC2)CC1=O C1CN(CCO1)[*:1] CCN1C[C@@H](CC1=O)C(=O)N(C)Cc1ccccc1[*:1]
Cc1nc(=O)c(-c2ccccc2)c(C)n1N1CCC(C)CC1 c1ccc(cc1)[*:1] Cc1nc(=O)c(c(C)n1N1CCC(C)CC1)[*:1]
O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc(cs1)-c1ccccc1)N[*:1]
O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc(cs1)[*:1])Nc1ccccc1
Cc1ccc(CN(Cc2cccnc2)C(=S)Nc2cc(Cl)ccc2Cl)o1 Cc1ccc(o1)[*:1] S=C(Nc1cc(Cl)ccc1Cl)N(Cc1cccnc1)C[*:1]
Cc1ccc(CN(Cc2cccnc2)C(=S)Nc2cc(Cl)ccc2Cl)o1 c1cncc(c1)[*:1] Cc1ccc(CN(C[*:1])C(=S)Nc2cc(Cl)ccc2Cl)o1
Cc1ccc(CN(Cc2cccnc2)C(=S)Nc2cc(Cl)ccc2Cl)o1 c1cncc(c1)C[*:1] Cc1ccc(CN(C(=S)Nc2cc(Cl)ccc2Cl)[*:1])o1
Cc1ccc(CN(Cc2cccnc2)C(=S)Nc2cc(Cl)ccc2Cl)o1 Clc1ccc(Cl)c(c1)[*:1] Cc1ccc(CN(Cc2cccnc2)C(=S)N[*:1])o1
Cc1ccc(CN(Cc2cccnc2)C(=S)Nc2cc(Cl)ccc2Cl)o1 Cc1ccc(C[*:1])o1 S=C(Nc1cc(Cl)ccc1Cl)N(Cc1cccnc1)[*:1]
Cc1cc([C@@H]2[C@H](C(=O)[O-])CCCC(=O)N2C)ccc1Br O=C([O-])[*:1] Cc1cc(ccc1Br)[C@@H]1[C@H](CCCC(=O)N1C)[*:1]
COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)[O-])cc1 Brc1ccccc1[*:1] COc1ccc(/C=C(\NC(=O)[*:1])C(=O)[O-])cc1
COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(/C=C(\NC(=O)c2ccccc2Br)[*:1])cc1
Cc1ccc(-c2nc(CSC[C@H](C)CO)cs2)cc1 C[C@H](CO)[*:1] Cc1ccc(cc1)-c1nc(cs1)CSC[*:1]
Cc1ccc(-c2nc(CSC[C@H](C)CO)cs2)cc1 C[C@H](CO)C[*:1] Cc1ccc(cc1)-c1nc(cs1)CS[*:1]
O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)N[*:1]
O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)Nc1ccc(F)cc1 c1cc(cs1)[*:1] O=C(NC[C@@H](N1CCc2ccccc2C1)[*:1])Nc1ccc(F)cc1
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)NC[*:1])c1ccccc1
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)C[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)N[*:1])c1ccccc1
C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)[*:1]
Cc1nnc(NC(=O)C[C@@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nnc(NC(=O)C[C@@H]2C(=O)NCCN2S(=O)(=O)[*:1])s1
Cc1nnc(NC(=O)C[C@@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)s1 Cc1nnc(s1)[*:1] O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)N[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CCC2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](C[NH2+]C2CCC2)C1
CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CCC2)C1 C1CC(C1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][*:1])C1
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCOCC2)c1 Cc1c(Cl)cccc1[*:1] O=C(c1cccc(c1)[N-]S(=O)(=O)[*:1])N1CCOCC1
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCOCC2)c1 O=C(N1CCOCC1)[*:1] Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(c1)[*:1]
O=C(NCc1ccc(Cn2cncn2)cc1)NC1CC[NH+](C2CC2)CC1 c1ncn(n1)[*:1] O=C(NCc1ccc(cc1)C[*:1])NC1CC[NH+](CC1)C1CC1
O=C(NCc1ccc(Cn2cncn2)cc1)NC1CC[NH+](C2CC2)CC1 c1ncn(C[*:1])n1 O=C(NCc1ccc(cc1)[*:1])NC1CC[NH+](CC1)C1CC1
CCc1cc(C(=O)NCc2cccnc2)nc2cc(-c3cccs3)nn12 c1cncc(c1)[*:1] CCc1cc(nc2cc(nn12)-c1cccs1)C(=O)NC[*:1]
CCc1cc(C(=O)NCc2cccnc2)nc2cc(-c3cccs3)nn12 c1cncc(c1)C[*:1] CCc1cc(nc2cc(nn12)-c1cccs1)C(=O)N[*:1]
CCc1cc(C(=O)NCc2cccnc2)nc2cc(-c3cccs3)nn12 c1csc(c1)[*:1] CCc1cc(nc2cc(nn12)[*:1])C(=O)NCc1cccnc1
N#CCCN(C(=O)CC1(O)CCCCC1)c1ccc2c(c1)OCCO2 N#CC[*:1] O=C(CC1(O)CCCCC1)N(C[*:1])c1ccc2OCCOc2c1
N#CCCN(C(=O)CC1(O)CCCCC1)c1ccc2c(c1)OCCO2 OC1(CCCCC1)C[*:1] N#CCCN(C(=O)[*:1])c1ccc2OCCOc2c1
N#CCCN(C(=O)CC1(O)CCCCC1)c1ccc2c(c1)OCCO2 OC1(CCCCC1)[*:1] N#CCCN(C(=O)C[*:1])c1ccc2OCCOc2c1
N#CCCN(C(=O)CC1(O)CCCCC1)c1ccc2c(c1)OCCO2 N#CCC[*:1] O=C(CC1(O)CCCCC1)N(c1ccc2OCCOc2c1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cccs2)cc1 c1csc(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@H](C)OC(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cccs2)cc1 CC(=O)N[*:1] C[C@H](OC(=O)c1cccs1)C(=O)Nc1ccc(cc1)[*:1]
C[C@](NC(=O)Cc1cccc(F)c1F)(C(=O)[O-])C1CC1 C1CC1[*:1] C[C@](NC(=O)Cc1cccc(F)c1F)(C(=O)[O-])[*:1]
C[C@](NC(=O)Cc1cccc(F)c1F)(C(=O)[O-])C1CC1 O=C([O-])[*:1] C[C@](NC(=O)Cc1cccc(F)c1F)(C1CC1)[*:1]
COc1ccc(C2=C(C)C(Nc3ccc(C)cc3)=NS2(=O)=O)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N[*:1]
COc1ccc(C2=C(C)C(Nc3ccc(C)cc3)=NS2(=O)=O)cc1 COc1ccc(cc1)[*:1] CC1C(=NS(=O)(=O)C=1[*:1])Nc1ccc(C)cc1
COc1ccccc1NC(=O)[C@@H](C)N[C@H](c1ncccc1C)C(C)C Cc1cccnc1[*:1] COc1ccccc1NC(=O)[C@@H](C)N[C@H](C(C)C)[*:1]
COc1ccccc1NC(=O)[C@@H](C)N[C@H](c1ncccc1C)C(C)C CC(C)[*:1] COc1ccccc1NC(=O)[C@@H](C)N[C@H](c1ncccc1C)[*:1]
COc1ccccc1NC(=O)[C@@H](C)N[C@H](c1ncccc1C)C(C)C COc1ccccc1[*:1] Cc1cccnc1[C@@H](N[C@H](C)C(=O)N[*:1])C(C)C
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[*:1]
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccco1 Cn1cc(cn1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)NCc1ccco1
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[*:1]
O=C(NCc1ccco1)NNC(=O)c1ccccc1O c1coc(c1)C[*:1] O=C(NNC(=O)c1ccccc1O)N[*:1]
O=C(NCc1ccco1)NNC(=O)c1ccccc1O c1coc(c1)[*:1] O=C(NC[*:1])NNC(=O)c1ccccc1O
COc1ccc([C@@H]2CCN(C(=O)Cc3csc(-c4cnccn4)n3)C2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1cnccn1)N1CC[C@H](C1)[*:1]
COc1ccc([C@@H]2CCN(C(=O)Cc3csc(-c4cnccn4)n3)C2)cc1 c1cnc(cn1)[*:1] COc1ccc(cc1)[C@@H]1CCN(C1)C(=O)Cc1csc(n1)[*:1]
CC(C)[C@H](c1ccccc1)N(C)C(=O)C1C[C@H](C)O[C@@H](C)C1 c1ccc(cc1)[*:1] CC(C)[C@H](N(C)C(=O)C1C[C@H](C)O[C@@H](C)C1)[*:1]
CC(C)[C@H](c1ccccc1)N(C)C(=O)C1C[C@H](C)O[C@@H](C)C1 CC(C)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(C)[C@@H](c1ccccc1)[*:1]
CC[C@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)[*:1]
CC[C@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1c(C)nn(C)c1C C[C@H](Cc1ccsc1)[*:1] CC[C@H](NC(=O)N(C)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1c(C)nn(C)c1C c1cc(cs1)[*:1] CC[C@H](NC(=O)N(C)[C@H](C)C[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1c(C)nn(C)c1C c1cc(cs1)C[*:1] CC[C@H](NC(=O)N(C)[C@H](C)[*:1])c1c(C)nn(C)c1C
[NH3+][C@H](Cc1cccs1)c1ccc(Cl)cn1 c1csc(c1)[*:1] [NH3+][C@H](C[*:1])c1ccc(Cl)cn1
Cc1cscc1C[NH2+][C@@H](C)C(N)=O NC(=O)[*:1] Cc1cscc1C[NH2+][C@@H](C)[*:1]
CCc1onc(C)c1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 CCc1onc(C)c1[*:1] O=C(N[*:1])N(Cc1ccc(Cl)c(Cl)c1)C1CC1
CCc1onc(C)c1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 Clc1ccc(cc1Cl)[*:1] CCc1onc(C)c1NC(=O)N(C[*:1])C1CC1
CCc1onc(C)c1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 C1CC1[*:1] CCc1onc(C)c1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)[*:1]
C=CCN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2cc(Br)ccc21 C=CC[*:1] O=C1/C(c2cc(Br)ccc2N1[*:1])=c1\sc2nc(=O)c(nn2c1=O)-c1ccccc1
C=CCN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2cc(Br)ccc21 c1ccc(cc1)[*:1] C=CCN1C(=O)/C(c2cc(Br)ccc21)=c1\sc2nc(=O)c(nn2c1=O)[*:1]
C[C@H](NC(=O)NC1CCCC1)c1cc2c(cc1Br)OCCO2 C1CCC(C1)[*:1] C[C@H](NC(=O)N[*:1])c1cc2OCCOc2cc1Br
CN(C)/C=C1/N=C(SCc2c(Cl)cccc2Cl)NC1=O CN(C)[*:1] O=C1NC(=NC1=C[*:1])SCc1c(Cl)cccc1Cl
CCOC(=O)c1c(NC(=O)c2nnn(-c3ccc(C)cc3)c2C)sc2c1CC[C@@H](C)C2 Cc1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)c2nnn(c2C)[*:1])sc2C[C@H](C)CCc21
CCOC(=O)c1c(NC(=O)c2nnn(-c3ccc(C)cc3)c2C)sc2c1CC[C@@H](C)C2 CCOC(=O)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)Nc2sc3C[C@H](C)CCc3c2[*:1])c1C
Cn1cccc1[C@@H](CNC(=O)NCCc1ccccc1)[NH+]1CCCCCC1 Cn1cccc1[*:1] O=C(NCCc1ccccc1)NC[C@@H]([NH+]1CCCCCC1)[*:1]
Cn1cccc1[C@@H](CNC(=O)NCCc1ccccc1)[NH+]1CCCCCC1 c1ccc(cc1)[*:1] Cn1cccc1[C@@H](CNC(=O)NCC[*:1])[NH+]1CCCCCC1
Cn1cccc1[C@@H](CNC(=O)NCCc1ccccc1)[NH+]1CCCCCC1 c1ccc(cc1)C[*:1] Cn1cccc1[C@@H](CNC(=O)NC[*:1])[NH+]1CCCCCC1
Cn1cccc1[C@@H](CNC(=O)NCCc1ccccc1)[NH+]1CCCCCC1 c1ccc(cc1)CC[*:1] Cn1cccc1[C@@H](CNC(=O)N[*:1])[NH+]1CCCCCC1
CC(C)(C)OC(=O)N1CC[C@@H](COc2nccs2)C1 c1csc(n1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](CO[*:1])C1
CC(C)(C)OC(=O)N1CC[C@@H](COc2nccs2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](COc2nccs2)C1
CC(C)(C)OC(=O)N1CC[C@@H](COc2nccs2)C1 c1csc(n1)O[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)C[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)C(=O)N[C@@H](CO)C[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N[C@@H](CO)Cc1ccccc1 CCc1nn(C)cc1[*:1] O=C(N[C@@H](CO)Cc1ccccc1)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)C[*:1] CCc1nn(C)cc1NC(=O)C(=O)N[C@@H](CO)[*:1]
O=C(Nc1ccc(CC(=O)N2CCSC3(CCCCC3)C2)cc1)C1CC1 C1CC1[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])N1CCSC2(CCCCC2)C1
O=C(Nc1ccc(CC(=O)N2CCSC3(CCCCC3)C2)cc1)C1CC1 O=C(N[*:1])C1CC1 O=C(Cc1ccc(cc1)[*:1])N1CCSC2(CCCCC2)C1
COCc1cccc(C[NH2+][C@@H]2CCc3cc(N)ccc32)c1 COC[*:1] Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(c1)[*:1]
COc1ccc(OCC(=O)NCCc2ncnn2C)cc1 Cn1ncnc1C[*:1] COc1ccc(cc1)OCC(=O)NC[*:1]
COc1ccc(OCC(=O)NCCc2ncnn2C)cc1 Cn1ncnc1[*:1] COc1ccc(cc1)OCC(=O)NCC[*:1]
COc1cccc(-c2cc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)on2)c1 COc1cccc(c1)[*:1] c1c(noc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1)[*:1]
Cc1cc([C@@H](NCc2cccc(N(C)C)[nH+]2)C(C)C)c(C)s1 Cc1cc(c(C)s1)[*:1] CC(C)[C@H](NCc1cccc([nH+]1)N(C)C)[*:1]
Cc1cc([C@@H](NCc2cccc(N(C)C)[nH+]2)C(C)C)c(C)s1 CC(C)[*:1] Cc1cc(c(C)s1)[C@@H](NCc1cccc([nH+]1)N(C)C)[*:1]
Cc1cc([C@@H](NCc2cccc(N(C)C)[nH+]2)C(C)C)c(C)s1 CN(C)[*:1] Cc1cc(c(C)s1)[C@@H](NCc1cccc([nH+]1)[*:1])C(C)C
C[C@H](Cc1ccco1)NC(=O)c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1 c1coc(c1)C[*:1] C[C@H](NC(=O)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)N1CCOCC1)[*:1]
C[C@H](Cc1ccco1)NC(=O)c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1 C1CN(CCO1)[*:1] C[C@H](Cc1ccco1)NC(=O)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)[*:1]
C[C@H](Cc1ccco1)NC(=O)c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] C[C@H](Cc1ccco1)NC(=O)c1ccc(c(c1)[*:1])N1CCOCC1
C[C@H](Cc1ccco1)NC(=O)c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1 c1coc(c1)[*:1] C[C@H](C[*:1])NC(=O)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)N1CCOCC1
C[NH+](C)C[C@@H](NC(=O)Nc1c[nH]nc1-c1ccccn1)c1ccccc1 c1ccc(nc1)[*:1] C[NH+](C)C[C@@H](NC(=O)Nc1c[nH]nc1[*:1])c1ccccc1
C[NH+](C)C[C@@H](NC(=O)Nc1c[nH]nc1-c1ccccn1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)C[C@@H](NC(=O)Nc1c[nH]nc1-c1ccccn1)[*:1]
CCC[C@@H]1NN=C(NC(=O)c2cnn(-c3ccc([O-])nn3)c2C(F)(F)F)S1 [O-]c1ccc(nn1)[*:1] CCC[C@@H]1NN=C(NC(=O)c2cnn(c2C(F)(F)F)[*:1])S1
CCC[C@@H]1NN=C(NC(=O)c2cnn(-c3ccc([O-])nn3)c2C(F)(F)F)S1 FC(F)(F)[*:1] CCC[C@@H]1NN=C(NC(=O)c2cnn(-c3ccc([O-])nn3)c2[*:1])S1
CCC[C@@H]1NN=C(NC(=O)c2cnn(-c3ccc([O-])nn3)c2C(F)(F)F)S1 CCC[*:1] O=C(NC1=NN[C@H](S1)[*:1])c1cnn(-c2ccc([O-])nn2)c1C(F)(F)F
CC[NH2+][C@@H]([C@@H]1CCOC2(CCCC2)C1)[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] CC[NH2+][C@@H]([C@@H]1CCOC2(CCCC2)C1)[*:1]
Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](c2ccco2)[NH+]2CCCC2)cc1 Cc1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](N1C[C@H](c1ccco1)[NH+]1CCCC1)[*:1]
Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](c2ccco2)[NH+]2CCCC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1C[C@H]([NH+]1CCCC1)[*:1]
C[C@H](c1ccco1)N(C(=O)NCc1ccc([N+]2=CCCC2)cc1)C1CC1 C[C@H](c1ccco1)[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)N(C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)NCc1ccc([N+]2=CCCC2)cc1)C1CC1 C1CC1[*:1] C[C@H](c1ccco1)N(C(=O)NCc1ccc(cc1)[N+]1=CCCC1)[*:1]
C[C@H](c1ccco1)N(C(=O)NCc1ccc([N+]2=CCCC2)cc1)C1CC1 c1coc(c1)[*:1] C[C@H](N(C(=O)NCc1ccc(cc1)[N+]1=CCCC1)C1CC1)[*:1]
CC(C)=C(F)C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 CC(C)=C(F)[*:1] O=C(N[C@@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)=C(F)C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)=C(F)C(=O)N[C@@H](CO)[C@H](O)c1ccc(cc1)[*:1]
COc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1nc(cs1)[*:1]
COc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 Cc1ccccc1[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)N[*:1])[C@@H]1c1cn(C)c2ccccc12
Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 Cn1cc(c2ccccc21)[*:1] Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1[*:1]
Cc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 Cc1ccccc1NC(=O)[*:1] CN1C(=O)c2ccccc2[C@@H]([C@@H]1c1cn(C)c2ccccc12)[*:1]
C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(c2cc[nH+]cc2)N1C1CC1 C1CC1[*:1] C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(c2cc[nH+]cc2)N1[*:1]
CCc1cccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 O=[N+]([O-])[*:1] CCc1cccc(c1)O[C@@H](C)C(=O)Nc1ccc(cc1OC)[*:1]
CCc1cccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 CCc1cccc(c1)[*:1] COc1cc(ccc1NC(=O)[C@H](C)O[*:1])[N+](=O)[O-]
O=C(NCc1cccc(C(F)(F)F)c1)c1nc(N2CCCC2)ncc1Cl C1CCN(C1)[*:1] O=C(NCc1cccc(c1)C(F)(F)F)c1nc(ncc1Cl)[*:1]
O=C(NCc1cccc(C(F)(F)F)c1)c1nc(N2CCCC2)ncc1Cl FC(F)(F)[*:1] O=C(NCc1cccc(c1)[*:1])c1nc(ncc1Cl)N1CCCC1
CC(C)(C)c1cc(NC(=O)c2cccc(OCC(F)F)n2)c(C#N)s1 CC(C)(C)[*:1] N#Cc1sc(cc1NC(=O)c1cccc(n1)OCC(F)F)[*:1]
CC(C)(C)c1cc(NC(=O)c2cccc(OCC(F)F)n2)c(C#N)s1 FC(F)C[*:1] CC(C)(C)c1cc(NC(=O)c2cccc(n2)O[*:1])c(C#N)s1
CC(C)(C)c1cc(NC(=O)c2cccc(OCC(F)F)n2)c(C#N)s1 FC(F)CO[*:1] CC(C)(C)c1cc(NC(=O)c2cccc(n2)[*:1])c(C#N)s1
CC(C)(C)c1cc(NC(=O)c2cccc(OCC(F)F)n2)c(C#N)s1 FC(F)[*:1] CC(C)(C)c1cc(NC(=O)c2cccc(n2)OC[*:1])c(C#N)s1
COc1ccccc1CCC(=O)Nc1ccn(C)n1 Cn1ccc(n1)[*:1] COc1ccccc1CCC(=O)N[*:1]
CCc1nn(C)cc1CNC(=O)N(C)C[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] CCc1nn(C)cc1CNC(=O)N(C)C[*:1]
CCc1nn(C)cc1CNC(=O)N(C)C[C@H]1CCOC1 C1C[C@@H](CO1)C[*:1] CCc1nn(C)cc1CNC(=O)N(C)[*:1]
CS(=O)(=O)N1CCC[C@@H](CCC=O)C1 O=CCC[*:1] CS(=O)(=O)N1CCC[C@@H](C1)[*:1]
CS(=O)(=O)N1CCC[C@@H](CCC=O)C1 O=CC[*:1] CS(=O)(=O)N1CCC[C@H](C1)C[*:1]
CCCOC[C@H]1CC[C@H](Br)C1 CCC[*:1] Br[C@H]1CC[C@H](CO[*:1])C1
CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2N=C=S S=C=N[*:1] CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2[*:1]
COc1ccc(NC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)C1CCN(CC1)C(=O)N[*:1]
COc1cc(OC)cc([C@@H](C)C[C@@H](C)Cl)c1 C[C@@H](Cl)C[*:1] COc1cc(cc(c1)[C@@H](C)[*:1])OC
COc1cc(OC)cc([C@@H](C)C[C@@H](C)Cl)c1 C[C@@H](Cl)[*:1] COc1cc(cc(c1)[C@@H](C)C[*:1])OC
Cc1cccc(Nc2ncnc(Nc3nccs3)c2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1cccc(n1)Nc1ncnc(Nc2nccs2)c1[*:1]
Cc1cccc(Nc2ncnc(Nc3nccs3)c2[N+](=O)[O-])n1 c1csc(n1)N[*:1] Cc1cccc(n1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1cccc(Nc2ncnc(Nc3nccs3)c2[N+](=O)[O-])n1 Cc1cccc(n1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1nccs1
Cc1cccc(Nc2ncnc(Nc3nccs3)c2[N+](=O)[O-])n1 c1csc(n1)[*:1] Cc1cccc(n1)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
COC(=O)Nc1cccc(NCCN2CCCc3ccccc32)c1 COC(=O)N[*:1] c1cc(cc(c1)[*:1])NCCN1CCCc2ccccc21
C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)C(=O)N1CCCCC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C1(CCOCC1)[*:1])C(=O)N1CCCCC1
C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H](NC(=O)C1(CCOCC1)c1ccccc1)[*:1]
CC(C)CNC(=O)c1coc(COc2cccc3cccnc23)n1 CC(C)CNC(=O)[*:1] c1cnc2c(cccc2c1)OCc1nc(co1)[*:1]
CC(C)CNC(=O)c1coc(COc2cccc3cccnc23)n1 CC(C)[*:1] O=C(NC[*:1])c1coc(COc2cccc3cccnc23)n1
CC(C)CNC(=O)c1coc(COc2cccc3cccnc23)n1 CC(C)C[*:1] O=C(N[*:1])c1coc(COc2cccc3cccnc23)n1
COC(CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F)OC COC(OC)[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)NC[*:1]
COC(CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F)OC O=C([O-])[*:1] COC(CNS(=O)(=O)c1ccc(cc1F)[*:1])OC
COC(CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F)OC COC(C[*:1])OC O=C([O-])c1ccc(c(F)c1)S(=O)(=O)N[*:1]
C[C@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1Cl c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCC(CC1)NC(=O)[*:1])c1ccccc1Cl
C[C@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1Cl O=C(N[*:1])c1ccccc1 C[C@H](NC(=O)N1CCC(CC1)[*:1])c1ccccc1Cl
C[C@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)N1CCC(CC1)NC(=O)c1ccccc1)[*:1]
O=C(NCCn1cccc1)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] O=C(NCC[*:1])c1ccc(nc1)-n1cccc1
O=C(NCCn1cccc1)c1ccc(-n2cccc2)nc1 c1ccn(c1)CC[*:1] O=C(N[*:1])c1ccc(nc1)-n1cccc1
O=C(NCCn1cccc1)c1ccc(-n2cccc2)nc1 c1ccn(c1)C[*:1] O=C(NC[*:1])c1ccc(nc1)-n1cccc1
O=C(NCCn1cccc1)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] O=C(NCCn1cccc1)c1ccc(nc1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(OCC)c2)C1 CCO[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)N[C@H](C)c1cccc(c1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(OCC)c2)C1 CCOC(=O)[*:1] CCOc1cccc(c1)[C@@H](C)NC(=O)N1CCC[C@H](C1)[*:1]
CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 Fc1ccc(cc1)C[*:1] CC(C)[C@@H](c1nnnn1[*:1])N1CCN(CC1)c1ccccc1F
CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](c1nnnn1C[*:1])N1CCN(CC1)c1ccccc1F
CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 CC(C)[*:1] Fc1ccc(cc1)Cn1nnnc1[C@@H](N1CCN(CC1)c1ccccc1F)[*:1]
CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 CN(C)C(=O)N[*:1] Cc1ccc(c(c1)C(=O)N[C@@H](C)c1cccc(C#N)c1)[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N[C@@H](C)[*:1]
Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1OC(F)F FC(F)O[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)N1CC[C@@H](C)[C@H](O)C1
Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1OC(F)F FC(F)[*:1] Cc1ccc(cc1O[*:1])NC(=O)C(=O)N1CC[C@@H](C)[C@H](O)C1
CC(C)c1nc2cc(NC(=O)c3ccc(Oc4ncccn4)cc3)ccc2n1C CC(C)[*:1] Cn1c(nc2cc(ccc21)NC(=O)c1ccc(cc1)Oc1ncccn1)[*:1]
CC(C)c1nc2cc(NC(=O)c3ccc(Oc4ncccn4)cc3)ccc2n1C c1cnc(nc1)[*:1] CC(C)c1nc2cc(ccc2n1C)NC(=O)c1ccc(cc1)O[*:1]
CC(C)c1nc2cc(NC(=O)c3ccc(Oc4ncccn4)cc3)ccc2n1C c1cnc(nc1)O[*:1] CC(C)c1nc2cc(ccc2n1C)NC(=O)c1ccc(cc1)[*:1]
C[C@@H](C(=O)N1CCCC1)n1c(N)nnc1SCCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCCC1)n1c(N)nnc1SCC[*:1]
C[C@@H](C(=O)N1CCCC1)n1c(N)nnc1SCCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)N1CCCC1)n1c(N)nnc1SC[*:1]
C[C@@H](C(=O)N1CCCC1)n1c(N)nnc1SCCc1ccccc1 O=C(N1CCCC1)[*:1] C[C@@H](n1c(N)nnc1SCCc1ccccc1)[*:1]
C[C@@H](C(=O)N1CCCC1)n1c(N)nnc1SCCc1ccccc1 c1ccc(cc1)CC[*:1] C[C@@H](C(=O)N1CCCC1)n1c(N)nnc1S[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N([C@H]2CCC[C@@H](C)[C@H]2C)C1 CSc1ccccc1[*:1] C[C@@H]1CCC[C@@H]([C@@H]1C)N1C[C@@H](CC1=O)C(=O)N(C)CC(=O)N[*:1]
C[NH+](CCO)C1(CNC(=O)NCC(F)(F)F)CCCCC1 FC(F)(F)[*:1] C[NH+](CCO)C1(CCCCC1)CNC(=O)NC[*:1]
C[NH+](CCO)C1(CNC(=O)NCC(F)(F)F)CCCCC1 OCC[*:1] C[NH+](C1(CCCCC1)CNC(=O)NCC(F)(F)F)[*:1]
C[NH+](CCO)C1(CNC(=O)NCC(F)(F)F)CCCCC1 FC(F)(F)C[*:1] C[NH+](CCO)C1(CCCCC1)CNC(=O)N[*:1]
CCCN(CC(=O)[O-])C(=O)Cc1ccc(F)c(F)c1 CCC[*:1] O=C([O-])CN(C(=O)Cc1ccc(F)c(F)c1)[*:1]
CCCN(CC(=O)[O-])C(=O)Cc1ccc(F)c(F)c1 O=C([O-])[*:1] CCCN(C[*:1])C(=O)Cc1ccc(F)c(F)c1
CCCN(CC(=O)[O-])C(=O)Cc1ccc(F)c(F)c1 O=C([O-])C[*:1] CCCN(C(=O)Cc1ccc(F)c(F)c1)[*:1]
CC1CCC(NC(=O)CN2CCN(c3ccc(C(N)=O)nn3)CC2)CC1 NC(=O)[*:1] CC1CCC(CC1)NC(=O)CN1CCN(CC1)c1ccc(nn1)[*:1]
CC1CCC(NC(=O)CN2CCN(c3ccc(C(N)=O)nn3)CC2)CC1 CC1CCC(CC1)[*:1] NC(=O)c1ccc(nn1)N1CCN(CC1)CC(=O)N[*:1]
Cc1cnc(N[C@H](C)CCCCl)nc1 ClCC[*:1] Cc1cnc(nc1)N[C@H](C)C[*:1]
Cc1cnc(N[C@H](C)CCCCl)nc1 ClCCC[*:1] Cc1cnc(nc1)N[C@H](C)[*:1]
CCOc1ccccc1N1CC[NH+](Cc2nnsc2Cl)CC1 Clc1snnc1[*:1] CCOc1ccccc1N1CC[NH+](CC1)C[*:1]
CCOc1ccccc1N1CC[NH+](Cc2nnsc2Cl)CC1 CCO[*:1] Clc1snnc1C[NH+]1CCN(CC1)c1ccccc1[*:1]
CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)N1CCNC(=O)C1)[*:1]
CC[C@@](C)([NH3+])C(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 O=C([O-])[*:1] CC[C@@](C)([NH3+])C(=O)Nc1cc(cc(c1)[*:1])C(F)(F)F
CC[C@@](C)([NH3+])C(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@@](C)([NH3+])C(=O)Nc1cc(cc(c1)[*:1])C(=O)[O-]
CC(C)c1ccc([C@H](Cl)[C@]2(C)CCCO2)cc1 CC(C)[*:1] C[C@]1(CCCO1)[C@@H](Cl)c1ccc(cc1)[*:1]
COc1ccc(C(=O)/N=C(/OC(C)C)N2CCCCC2)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)/N=C(/O[*:1])N1CCCCC1
C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)N(C)Cc1ccccc1 CC(C)(C)[*:1] C[C@H](Sc1nnc(-c2ccc(cc2)[*:1])n1N)C(=O)N(C)Cc1ccccc1
C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Sc1nnc(-c2ccc(cc2)C(C)(C)C)n1N)C(=O)N(C)[*:1]
C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2ccc(cc2)C(C)(C)C)n1N)C(=O)N(C)C[*:1]
C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)N(C)Cc1ccccc1 CC(C)(C)c1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1N)[*:1])C(=O)N(C)Cc1ccccc1
CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NC2CCCCC2)c1 CCNC(=O)[*:1] Cc1ccc(cc1NC(=O)C(=O)NC1CCCCC1)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)C(=O)N[*:1]
CC(C)(C)[NH2+]C[C@@H]1C[C@@]12CSCCC2(C)C CC(C)(C)[*:1] CC1(C)CCSC[C@@]12C[C@H]2C[NH2+][*:1]
CC(C)(C)[NH2+]C[C@@H]1C[C@@]12CSCCC2(C)C CC(C)(C)[NH2+][*:1] CC1(C)CCSC[C@@]12C[C@H]2C[*:1]
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc4cc[nH]c4c3)c2)n1 CCc1cc(=O)[nH]c(n1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2cc[nH]c2c1
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc4cc[nH]c4c3)c2)n1 c1cc2ccc(cc2[nH]1)[*:1] CCc1cc(=O)[nH]c(n1)-c1cccc(c1)NC(=O)[*:1]
Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 Fc1ccccc1[*:1] Cc1ccccc1CS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 Cc1ccccc1C[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1F
Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 Cc1ccccc1[*:1] O=C(C1CCN(CC1)S(=O)(=O)C[*:1])N1CCN(CC1)c1ccccc1F
CC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)s1)[*:1]
CC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)OC Brc1ccc(s1)[*:1] CC[C@@H](NC(=O)[C@@H](C)[*:1])C(=O)OC
O=C(CSc1nnc2n1CCCCC2)NCc1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(CSc1nnc2CCCCCn21)NC[*:1]
O=C(CSc1nnc2n1CCCCC2)NCc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 O=C(CSc1nnc2CCCCCn21)N[*:1]
CC(C)n1c(N/N=C\c2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C Clc1ccccc1[*:1] CC(C)n1c(nc2c1c(=O)n(C)c(=O)n2C)NN=C[*:1]
CC(C)n1c(N/N=C\c2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C CC(C)[*:1] Cn1c(=O)c2c(nc(N/N=C\c3ccccc3Cl)n2[*:1])n(C)c1=O
Cc1cnc(NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c([N+](=O)[O-])c1 Cc1ccc(o1)[*:1] Cc1cnc(NC[C@@H]([NH+]2CCCC2)[*:1])c(c1)[N+](=O)[O-]
Cc1cnc(NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c(c1)[*:1]
Cc1cccn2c(=O)c(-c3nc(N(C)C)no3)cnc12 CN(C)[*:1] Cc1cccn2c(=O)c(cnc12)-c1nc(no1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1C O=S1(=O)CC[C@H](C1)C[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4cccc[nH+]4)CC3)N2)cc1 CC(=O)N[*:1] O=C1C[C@@H](NC(=N1)N1CCN(CC1)c1cccc[nH+]1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4cccc[nH+]4)CC3)N2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C1C[C@@H](NC(=N1)N1CCN(CC1)c1cccc[nH+]1)C(=O)N[*:1]
Cc1nnc(SCC(=O)NCc2cccnc2N2CC[NH+](C)CC2)s1 Cc1nnc(S[*:1])s1 C[NH+]1CCN(CC1)c1ncccc1CNC(=O)C[*:1]
Cc1nnc(SCC(=O)NCc2cccnc2N2CC[NH+](C)CC2)s1 Cc1nnc(s1)[*:1] C[NH+]1CCN(CC1)c1ncccc1CNC(=O)CS[*:1]
Cc1nnc(SCC(=O)NCc2cccnc2N2CC[NH+](C)CC2)s1 Cc1nnc(SC[*:1])s1 C[NH+]1CCN(CC1)c1ncccc1CNC(=O)[*:1]
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F CC(C)(C)OC(=O)N[*:1] O=C(CC[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F Fc1ccccc1[*:1] CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F CC(C)(C)OC(=O)NC[*:1] O=C(C[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F CC(C)(C)[*:1] O=C(CCNC(=O)O[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F
CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F CC(C)(C)OC(=O)NCC[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F)[*:1]
Cc1ccc2c(c1)CCN2C(=O)c1ccn(C2CCCC2)n1 C1CCC(C1)[*:1] Cc1ccc2c(c1)CCN2C(=O)c1ccn(n1)[*:1]
O=C(c1ccc(OCc2ccccn2)cc1)N1CCN(CCO)CC1 c1ccc(nc1)[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCN(CCO)CC1
O=C(c1ccc(OCc2ccccn2)cc1)N1CCN(CCO)CC1 c1ccc(C[*:1])nc1 O=C(c1ccc(cc1)O[*:1])N1CCN(CCO)CC1
O=C(c1ccc(OCc2ccccn2)cc1)N1CCN(CCO)CC1 OCC[*:1] O=C(c1ccc(cc1)OCc1ccccn1)N1CCN(CC1)[*:1]
O=C(c1ccc(OCc2ccccn2)cc1)N1CCN(CCO)CC1 c1ccc(CO[*:1])nc1 O=C(c1ccc(cc1)[*:1])N1CCN(CCO)CC1
CCC[C@@H]1C[C@@H]1NC(=O)NCC1(S(C)(=O)=O)CCOCC1 CS(=O)(=O)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)NCC1(CCOCC1)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)NCC1(S(C)(=O)=O)CCOCC1 CCC[*:1] CS(=O)(=O)C1(CCOCC1)CNC(=O)N[C@H]1C[C@H]1[*:1]
Cc1cnc(CNC(=O)C(=O)Nc2c(F)cccc2F)s1 Cc1cnc(s1)[*:1] O=C(NC[*:1])C(=O)Nc1c(F)cccc1F
Cc1cnc(CNC(=O)C(=O)Nc2c(F)cccc2F)s1 Cc1cnc(C[*:1])s1 O=C(Nc1c(F)cccc1F)C(=O)N[*:1]
O[C@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)c1c(F)cccc1F FC(F)(F)C[*:1] O[C@H](C[NH2+][C@H]1CCN(C1)[*:1])c1c(F)cccc1F
O[C@H](C[NH2+][C@H]1CCN(CC(F)(F)F)C1)c1c(F)cccc1F FC(F)(F)[*:1] O[C@H](C[NH2+][C@H]1CCN(C1)C[*:1])c1c(F)cccc1F
C/C(=N\NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=NNC(=O)CNC(=O)c1ccc(F)cc1)[*:1]
C/C(=N\NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] C/C(=N\NC(=O)CNC(=O)[*:1])c1ccc(Cl)cc1
C[C@H](Cn1cccn1)Nc1ncc([N+](=O)[O-])cc1C(N)=O O=[N+]([O-])[*:1] C[C@H](Cn1cccn1)Nc1ncc(cc1C(N)=O)[*:1]
C[C@H](Cn1cccn1)Nc1ncc([N+](=O)[O-])cc1C(N)=O c1cnn(c1)[*:1] C[C@H](C[*:1])Nc1ncc(cc1C(N)=O)[N+](=O)[O-]
C[C@H](Cn1cccn1)Nc1ncc([N+](=O)[O-])cc1C(N)=O NC(=O)[*:1] C[C@H](Cn1cccn1)Nc1ncc(cc1[*:1])[N+](=O)[O-]
C[C@H](Cn1cccn1)Nc1ncc([N+](=O)[O-])cc1C(N)=O c1cnn(c1)C[*:1] C[C@H](Nc1ncc(cc1C(N)=O)[N+](=O)[O-])[*:1]
NC(=O)COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 NC(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@H]1CCCN(C1)C(=O)c1cccs1
NC(=O)COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])[C@H]1CCCN(C1)C(=O)c1cccs1
NC(=O)COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 c1csc(c1)[*:1] NC(=O)COc1ccc(cc1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
NC(=O)COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 NC(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN(C1)C(=O)c1cccs1
COc1cccc(/C=N/NC(=O)c2cc3cc(OC)ccc3[nH]2)c1 COc1cccc(c1)[*:1] COc1ccc2[nH]c(cc2c1)C(=O)NN=C[*:1]
COC(=O)[C@H](C)Cn1ccnc1C#N COC(=O)[*:1] C[C@H](Cn1ccnc1C#N)[*:1]
Cc1c(C)c2cc(Cl)c(OC(=O)CNC(=O)OC(C)(C)C)cc2oc1=O CC(C)(C)OC(=O)N[*:1] Cc1c(C)c2cc(Cl)c(cc2oc1=O)OC(=O)C[*:1]
Cc1c(C)c2cc(Cl)c(OC(=O)CNC(=O)OC(C)(C)C)cc2oc1=O CC(C)(C)[*:1] Cc1c(C)c2cc(Cl)c(cc2oc1=O)OC(=O)CNC(=O)O[*:1]
C=CCCC(=O)NC[C@H](O)c1ccc2c(c1)CCO2 C=CCC[*:1] O=C(NC[C@H](O)c1ccc2OCCc2c1)[*:1]
C=CCCC(=O)NC[C@H](O)c1ccc2c(c1)CCO2 C=CC[*:1] O=C(C[*:1])NC[C@H](O)c1ccc2OCCc2c1
Cc1cc(-c2nnc(NC(=O)c3ccc(S(C)(=O)=O)cc3)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
Cc1cc(-c2nnc(NC(=O)c3ccc(S(C)(=O)=O)cc3)o2)c(C)o1 CS(=O)(=O)[*:1] Cc1cc(-c2nnc(NC(=O)c3ccc(cc3)[*:1])o2)c(C)o1
COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](Sc1nnc(C)n1C)CC2 Cc1nnc(n1C)[*:1] COc1ccc2CC[C@H](S[*:1])[C@H]([NH3+])c2c1
Cc1ccccc1N1C[C@](O)(c2cccs2)[N+]2=C1CCCC2 Cc1ccccc1[*:1] O[C@@]1(CN(C2CCCC[N+]=21)[*:1])c1cccs1
Cc1ccccc1N1C[C@](O)(c2cccs2)[N+]2=C1CCCC2 c1csc(c1)[*:1] Cc1ccccc1N1C[C@](O)([N+]2CCCCC=21)[*:1]
O=C(N/N=C/c1ccc(I)o1)c1cncc(Br)c1 Ic1ccc(o1)[*:1] O=C(NN=C[*:1])c1cncc(Br)c1
C/[NH+]=C(/NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N[C@H]1C[C@H]1C FC(F)(F)[*:1] C/[NH+]=C(/NCC1(CCOCC1)c1cccc(c1)[*:1])N[C@H]1C[C@H]1C
CC(C)C(=O)N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 C1CO[C@@H](C1)[*:1] CC(C)C(=O)N(C[*:1])c1nc2c(F)cc(F)cc2s1
CC(C)C(=O)N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 CC(C)[*:1] O=C(N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1)[*:1]
CC(C)C(=O)N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 C1CO[C@@H](C1)C[*:1] CC(C)C(=O)N(c1nc2c(F)cc(F)cc2s1)[*:1]
COC(=O)c1cc(CNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)oc1C Fc1ccc(cc1F)[*:1] COC(=O)c1cc(CNC(=O)N[C@@H](C)[*:1])oc1C
COC(=O)c1cc(CNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)N[C@@H](C)c1ccc(F)c(F)c1
CCC[C@@H](C)NC(=O)c1ccccc1N(C)S(C)(=O)=O CCC[*:1] C[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)[*:1]
CCC[C@@H](C)NC(=O)c1ccccc1N(C)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] CCC[C@@H](C)NC(=O)c1ccccc1[*:1]
CCC[C@@H](C)NC(=O)c1ccccc1N(C)S(C)(=O)=O CCC[C@@H](C)[*:1] CN(c1ccccc1C(=O)N[*:1])S(C)(=O)=O
CC(=O)NC1(c2noc(CCC(=O)N[C@H]3CCC[C@@H](C)C3)n2)CCCCCC1 CC(=O)N[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)CCc1nc(no1)C1(CCCCCC1)[*:1]
CCS[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)O2)C1 O=C1CC[C@H](O1)[*:1] CCS[C@H]1CCC[C@H](C1)NC(=O)[*:1]
CCS[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)O2)C1 CCS[*:1] O=C1CC[C@H](O1)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
CCC[C@@]1(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)CC[NH2+]C1 CCC[*:1] C[C@](NC(=O)[C@]1(CC[NH2+]C1)[*:1])(C(=O)[O-])C(F)(F)F
CCC[C@@]1(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)CC[NH2+]C1 O=C([O-])[*:1] CCC[C@]1(CC[NH2+]C1)C(=O)N[C@@](C)(C(F)(F)F)[*:1]
CCC[C@@]1(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)CC[NH2+]C1 FC(F)(F)[*:1] CCC[C@]1(CC[NH2+]C1)C(=O)N[C@@](C)(C(=O)[O-])[*:1]
CC[NH2+][C@H](c1cscc1Br)[C@H](C)OC CO[C@@H](C)[*:1] CC[NH2+][C@H](c1cscc1Br)[*:1]
CN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)[*:1] CN(c1ccc(F)cc1)S(=O)(=O)c1csc(c1)C(=O)N[*:1]
CN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2ccc(C#N)cc2)c1 Fc1ccc(cc1)[*:1] CN(S(=O)(=O)c1csc(c1)C(=O)Nc1ccc(C#N)cc1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cccs1 FC(F)(F)[*:1] CC(C)[C@@H](NC(=O)Nc1ccccc1[*:1])c1cccs1
CC(C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cccs1 CC(C)[*:1] O=C(Nc1ccccc1C(F)(F)F)N[C@@H](c1cccs1)[*:1]
NC(=O)[C@@H]1COCCN1C(=O)CCCc1ccc(Br)s1 NC(=O)[*:1] O=C(CCCc1ccc(Br)s1)N1CCOC[C@H]1[*:1]
NC(=O)[C@@H]1COCCN1C(=O)CCCc1ccc(Br)s1 Brc1ccc(s1)[*:1] NC(=O)[C@@H]1COCCN1C(=O)CCC[*:1]
CC1CCC([NH2+]CCCS(C)(=O)=O)CC1 CS(=O)(=O)C[*:1] CC1CCC(CC1)[NH2+]CC[*:1]
CC1CCC([NH2+]CCCS(C)(=O)=O)CC1 CS(=O)(=O)[*:1] CC1CCC(CC1)[NH2+]CCC[*:1]
Nc1nccnc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Nc1nccnc1C(=O)N1CCN(CC1)S(=O)(=O)C[*:1]
Nc1nccnc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 Nc1nccnc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)Cc1ccccc1)[*:1]
Nc1nccnc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Nc1nccnc1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)(C)Nc1ncnc(N2CCC(C(=O)[O-])CC2)c1N CC(C)(C)N[*:1] Nc1c(ncnc1[*:1])N1CCC(CC1)C(=O)[O-]
CC(C)(C)Nc1ncnc(N2CCC(C(=O)[O-])CC2)c1N CC(C)(C)[*:1] Nc1c(ncnc1N1CCC(CC1)C(=O)[O-])N[*:1]
CC(C)(C)Nc1ncnc(N2CCC(C(=O)[O-])CC2)c1N O=C([O-])[*:1] CC(C)(C)Nc1ncnc(c1N)N1CCC(CC1)[*:1]
COCc1ccc(C(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)cc1 COC[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)c1ccc(cc1)[*:1]
C=CCn1c(=C(C#N)C#N)s/c(=C\c2ccc(SC)c(OC)c2)c1=O C=CC[*:1] COc1cc(/C=c2\sc(=C(C#N)C#N)n(c2=O)[*:1])ccc1SC
COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1OC c1ccc(cc1)O[*:1] COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(nc1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(nc1)O[*:1]
Cc1nc(-c2ccsc2)sc1C(=O)N1CCNC(=O)C1 c1cc(cs1)[*:1] Cc1nc(sc1C(=O)N1CCNC(=O)C1)[*:1]
CCC[NH2+][C@H]1[C@H](Sc2cccc(F)c2)CCC1(C)C CCC[*:1] CC1(C)CC[C@@H](Sc2cccc(F)c2)[C@@H]1[NH2+][*:1]
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] c1ccc(cc1)C[*:1] C[C@@H](S[*:1])C(=O)N/N=C/c1ccccc1[N+](=O)[O-]
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1[*:1]
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] C[C@@H](SC[*:1])C(=O)N/N=C/c1ccccc1[N+](=O)[O-]
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] c1ccc(cc1)CS[*:1] C[C@@H](C(=O)N/N=C/c1ccccc1[N+](=O)[O-])[*:1]
CS[C@H](CO)[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CS[C@H](CO)[C@@H](C)Nc1cc(C)ccc1[*:1]
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N/N=C\c1cccc(O)c1 Oc1cccc(c1)[*:1] O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NN=C[*:1]
COc1cccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c1 COc1cccc(c1)[*:1] O=C(N1CCN(CC1)Cc1nc2sc3CCCCc3c2c(=O)[nH]1)[*:1]
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(F)ccc1C Cc1ccc(F)cc1[*:1] COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCCCC1
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(F)ccc1C O=S(=O)(N1CCCCC1)[*:1] COc1ccc(cc1NC(=O)c1cc(F)ccc1C)[*:1]
Cc1ccccc1OC1CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 CC(C)(C)[*:1] Cc1ccccc1OC1CN(C1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1OC1CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 Cc1ccccc1[*:1] CC(C)(C)N1C[C@@H](CC1=O)C(=O)N1CC(C1)O[*:1]
Cc1ccccc1OC1CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 Cc1ccccc1O[*:1] CC(C)(C)N1C[C@@H](CC1=O)C(=O)N1CC(C1)[*:1]
Cn1nc(C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n(C2CC2)c1=O C1CC1[*:1] Cn1nc(C2CCN(CC2)C(=O)[C@H]2COc3ccccc3O2)n(c1=O)[*:1]
O=C(NCc1cccnc1OC1CCCC1)c1sccc1C1CC1 C1CCC(C1)O[*:1] O=C(NCc1cccnc1[*:1])c1sccc1C1CC1
O=C(NCc1cccnc1OC1CCCC1)c1sccc1C1CC1 C1CCC(C1)[*:1] O=C(NCc1cccnc1O[*:1])c1sccc1C1CC1
O=C(NCc1cccnc1OC1CCCC1)c1sccc1C1CC1 C1CC1[*:1] O=C(NCc1cccnc1OC1CCCC1)c1sccc1[*:1]
O=C(NCc1cccnc1OC1CCCC1)c1sccc1C1CC1 c1cc(c(s1)[*:1])C1CC1 O=C(NCc1cccnc1OC1CCCC1)[*:1]
CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccc(C)s1 Cc1ccc(s1)[*:1] CCc1nn(C)c(OC)c1CNS(=O)(=O)[*:1]
CNC(=O)c1ccc(N[C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 Cc1csc(n1)[*:1] CNC(=O)c1ccc(N[C@@H](C2CC2)[*:1])c(c1)[N+](=O)[O-]
CNC(=O)c1ccc(N[C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(N[C@@H](c2nc(C)cs2)C2CC2)c(c1)[*:1]
CNC(=O)c1ccc(N[C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 CNC(=O)[*:1] Cc1csc(n1)[C@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])C1CC1
CNC(=O)c1ccc(N[C@@H](c2nc(C)cs2)C2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] CNC(=O)c1ccc(N[C@@H](c2nc(C)cs2)[*:1])c(c1)[N+](=O)[O-]
COC[C@@H](NC(=O)N1CCCC[C@@H](SC)C1)c1ccc(F)c(F)c1 COC[*:1] CS[C@@H]1CCCCN(C1)C(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COC[C@@H](NC(=O)N1CCCC[C@@H](SC)C1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)N1CCCC[C@H](C1)SC)[*:1]
CCN(CC)/C(N)=[NH+]/C[C@@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CCN(CC)/C(N)=[NH+]/C[C@@H](C)c1nc(no1)[*:1]
CC(C)(C)n1cc(NC(=O)NCc2ccccc2OC(F)(F)F)cn1 CC(C)(C)[*:1] O=C(NCc1ccccc1OC(F)(F)F)Nc1cnn(c1)[*:1]
CC(C)(C)n1cc(NC(=O)NCc2ccccc2OC(F)(F)F)cn1 FC(F)(F)O[*:1] CC(C)(C)n1cc(cn1)NC(=O)NCc1ccccc1[*:1]
CC(C)(C)n1cc(NC(=O)NCc2ccccc2OC(F)(F)F)cn1 FC(F)(F)[*:1] CC(C)(C)n1cc(cn1)NC(=O)NCc1ccccc1O[*:1]
C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOC2(CCCCC2)C1 c1ccc(cc1)C[*:1] C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)[*:1]
C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOC2(CCCCC2)C1 c1ccc(cc1)[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CCOC2(CCCCC2)C1
CCOC[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 CCOC[*:1] Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 CCO[*:1] Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H](C1)C[*:1]
Cc1ccc(C(=O)NNC(=O)C2=NN(C)C(=O)CC2)o1 Cc1ccc(o1)[*:1] CN1N=C(CCC1=O)C(=O)NNC(=O)[*:1]
CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)c(Br)c1 O=C(N1CCCC1)[*:1] CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(c2)[*:1])c(Br)c1
C[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CC1 C[C@@H](C1CC1)[*:1] O=C(N[*:1])C1=CC=CN2CCS(=O)(=O)N=C12
C[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)[*:1]
CN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C1=O c1csc(c1)[*:1] CN1C(=O)[C@H]2ON(c3ccccc3)[C@H]([C@H]2C1=O)[*:1]
CN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C1=O c1ccc(cc1)[*:1] CN1C(=O)[C@H]2ON([C@H](c3cccs3)[C@H]2C1=O)[*:1]
Cc1nc(NCc2[nH+]ccn2C)cc([C@@H]2COCCN2)n1 C1COC[C@H](N1)[*:1] Cc1nc(cc(n1)[*:1])NCc1[nH+]ccn1C
Cc1nc2ccc(NC(=O)C(=O)NCCOCC(F)(F)F)cc2o1 FC(F)(F)[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)NCCOC[*:1]
Cc1nc2ccc(NC(=O)C(=O)NCCOCC(F)(F)F)cc2o1 FC(F)(F)COC[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)NC[*:1]
Cc1nc2ccc(NC(=O)C(=O)NCCOCC(F)(F)F)cc2o1 FC(F)(F)CO[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)NCC[*:1]
Cc1nc2ccc(NC(=O)C(=O)NCCOCC(F)(F)F)cc2o1 FC(F)(F)C[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)NCCO[*:1]
Cc1nc2ccc(NC(=O)C(=O)NCCOCC(F)(F)F)cc2o1 FC(F)(F)COCC[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)N[*:1]
CCOc1ccc(N[C@H]2CCSc3c(F)cccc32)cn1 CCO[*:1] Fc1cccc2c1SCC[C@@H]2Nc1ccc(nc1)[*:1]
CCc1noc(CC)c1CC(=O)N1[C@@H](C)C[C@H](c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] CCc1noc(CC)c1CC(=O)N1[C@@H](C)C[C@H]([C@@H]1C)[*:1]
O=C(NN[C@@H](c1ccccc1)c1cccs1)C(O)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NN[C@@H](c1ccccc1)c1cccs1)C(O)(c1ccccc1)[*:1]
O=C(NN[C@@H](c1ccccc1)c1cccs1)C(O)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NN[C@@H](c1cccs1)[*:1])C(O)(c1ccccc1)c1ccccc1
O=C(NN[C@@H](c1ccccc1)c1cccs1)C(O)(c1ccccc1)c1ccccc1 c1csc(c1)[*:1] O=C(NN[C@@H](c1ccccc1)[*:1])C(O)(c1ccccc1)c1ccccc1
Cc1ccc(NC(=O)c2cc(C(C)C)on2)cc1C CC(C)[*:1] Cc1ccc(cc1C)NC(=O)c1cc(on1)[*:1]
Cc1ccccc1Nc1nccc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 Cc1ccccc1[*:1] CC(C)(C)C(=O)N1CCC[C@H](C1)c1ccnc(n1)N[*:1]
Cc1ccccc1Nc1nccc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 CC(C)(C)[*:1] Cc1ccccc1Nc1nccc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccccc1Nc1nccc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 Cc1ccccc1N[*:1] CC(C)(C)C(=O)N1CCC[C@H](C1)c1ccnc(n1)[*:1]
Cc1cc([C@]2(C)NC(=O)N(Cc3cccc4cccnc34)C2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@]1(NC(=O)N(Cc2cccc3cccnc23)C1=O)[*:1]
CN(CCCNC(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1F CN(c1ccccc1F)[*:1] O=C1CCc2cc(ccc2N1)NC(=O)NCCC[*:1]
CN(CCCNC(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1F Fc1ccccc1[*:1] CN(CCCNC(=O)Nc1ccc2NC(=O)CCc2c1)[*:1]
O=C(NCc1cc(-c2ccccn2)no1)c1coc(CN2CCOCC2)c1 C1CN(CCO1)[*:1] O=C(NCc1cc(no1)-c1ccccn1)c1coc(c1)C[*:1]
O=C(NCc1cc(-c2ccccn2)no1)c1coc(CN2CCOCC2)c1 C1CN(CCO1)C[*:1] O=C(NCc1cc(no1)-c1ccccn1)c1coc(c1)[*:1]
O=C(NCc1cc(-c2ccccn2)no1)c1coc(CN2CCOCC2)c1 c1ccc(nc1)[*:1] O=C(NCc1cc(no1)[*:1])c1coc(c1)CN1CCOCC1
CCOc1c(F)cccc1C(=O)N[C@](C)(C(=O)OC)C1CC1 C1CC1[*:1] CCOc1c(F)cccc1C(=O)N[C@](C)(C(=O)OC)[*:1]
CCOc1c(F)cccc1C(=O)N[C@](C)(C(=O)OC)C1CC1 COC(=O)[*:1] CCOc1c(F)cccc1C(=O)N[C@](C)(C1CC1)[*:1]
CCOc1c(F)cccc1C(=O)N[C@](C)(C(=O)OC)C1CC1 CCO[*:1] COC(=O)[C@@](C)(NC(=O)c1cccc(F)c1[*:1])C1CC1
O=S(=O)(/N=C(\[O-])CCCOc1ccc(Cl)cc1)c1cccnc1 Clc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])CCCO[*:1])c1cccnc1
O=S(=O)(/N=C(\[O-])CCCOc1ccc(Cl)cc1)c1cccnc1 c1cncc(c1)[*:1] O=S(=O)(/N=C(\[O-])CCCOc1ccc(Cl)cc1)[*:1]
COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(-n3cncn3)cc2)c1 O=[N+]([O-])[*:1] COc1cc(F)c(c(c1)NCc1ccc(cc1)-n1cncn1)[*:1]
COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(-n3cncn3)cc2)c1 c1ncn(n1)[*:1] COc1cc(F)c(c(c1)NCc1ccc(cc1)[*:1])[N+](=O)[O-]
CCc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 CCc1ccc(cc1)C[*:1] C[C@H]1CCC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2[*:1])[C@H]1C
CCc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 CCc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2C[*:1])[C@H]1C
NC(=O)c1ccc(NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c(c1)[*:1]
NC(=O)c1ccc(NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 c1ccc2c(c[nH]c2c1)[*:1] NC(=O)c1ccc(NC[C@H](c2cccs2)[*:1])c(c1)[N+](=O)[O-]
NC(=O)c1ccc(NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 NC(=O)[*:1] O=[N+]([O-])c1cc(ccc1NC[C@H](c1cccs1)c1c[nH]c2ccccc12)[*:1]
NC(=O)c1ccc(NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 c1csc(c1)[*:1] NC(=O)c1ccc(NC[C@H](c2c[nH]c3ccccc23)[*:1])c(c1)[N+](=O)[O-]
O=C(NCCc1nnc(-c2ccccc2)o1)[C@@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(NCCc1nnc(o1)[*:1])[C@@H]1CCCc2ccccc21
Cc1cc(C)c(C(=O)Nc2cnn(-c3ccccc3)c2C)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)Nc2cnn(c2C)[*:1])c(C)c1
C[C@H](CNC(=O)C1(c2cccc(Cl)c2)CC1)CN1CC[NH+](C)CC1 Clc1cccc(c1)[*:1] C[C@H](CNC(=O)C1(CC1)[*:1])CN1CC[NH+](C)CC1
COc1ncnc(N)c1CN1CCN(c2c(C#N)cnc3ccccc23)CC1 COc1ncnc(N)c1[*:1] N#Cc1cnc2ccccc2c1N1CCN(CC1)C[*:1]
COCCOc1ccc(CN2CCO[C@@](C)(c3ccccc3)C2)cc1 COC[*:1] C[C@@]1(CN(CCO1)Cc1ccc(cc1)OC[*:1])c1ccccc1
COCCOc1ccc(CN2CCO[C@@](C)(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COCCOc1ccc(cc1)CN1CCO[C@@](C)(C1)[*:1]
COCCOc1ccc(CN2CCO[C@@](C)(c3ccccc3)C2)cc1 COCCO[*:1] C[C@@]1(CN(CCO1)Cc1ccc(cc1)[*:1])c1ccccc1
COCCOc1ccc(CN2CCO[C@@](C)(c3ccccc3)C2)cc1 COCC[*:1] C[C@@]1(CN(CCO1)Cc1ccc(cc1)O[*:1])c1ccccc1
Cc1nc(C)c(CCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(=O)[nH]1 Cc1nc(C)c(c(=O)[nH]1)[*:1] O=C(CC[*:1])N1CCC(CC1)c1nc2ccccc2s1
Cc1nc(C)c(CCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(=O)[nH]1 c1ccc2sc(nc2c1)[*:1] Cc1nc(C)c(CCC(=O)N2CCC(CC2)[*:1])c(=O)[nH]1
Cc1cc2cc(NC(=O)C[C@H](C)n3cncn3)ccc2o1 c1ncn(n1)[*:1] Cc1cc2cc(ccc2o1)NC(=O)C[C@H](C)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)N[C@H]1C[C@@H]1C
COc1cccc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1 Brc1ccc(s1)[*:1] COc1cccc(c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1Cl)C[*:1]
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCCCCC1 Clc1ccc(c(Cl)c1)[*:1] O=C(CN(C[*:1])S(=O)(=O)c1ccccc1)N1CCCCCC1
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCCCCC1 Clc1ccc(C[*:1])c(Cl)c1 O=C(CN(S(=O)(=O)c1ccccc1)[*:1])N1CCCCCC1
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)[*:1])N1CCCCCC1
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](CC(C)C)[NH+](C)C CC(C)C[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H]([NH+](C)C)[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](CC(C)C)[NH+](C)C CC(C)[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](C[*:1])[NH+](C)C
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 FC(F)(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCCN(C1)c1ccc(=O)n(n1)-c1cccc(F)c1
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@@H]1CCCN(C1)c1ccc(=O)n(n1)-c1cccc(F)c1
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 FC(F)(F)Oc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(=O)n(n1)-c1cccc(F)c1
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(c2ccc(=O)n(-c3cccc(F)c3)n2)C1 Fc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)[C@@H]1CCCN(C1)c1ccc(=O)n(n1)[*:1]
CC(=O)c1ccc(OCCCC(=O)N2CC[S@](=O)C(C)(C)C2)cc1 CC(=O)[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)CCCOc1ccc(cc1)[*:1]
CN(C)C(=O)[C@H](c1ccccc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 CN(C)C(=O)[*:1] c1ccc(cc1)[C@H](N1CCN(CC1)Cc1ccc2OCCOc2c1)[*:1]
CN(C)C(=O)[C@H](c1ccccc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](N1CCN(CC1)Cc1ccc2OCCOc2c1)[*:1]
CCOC1CCN(C[C@](C)([NH3+])CC)CC1 CCO[*:1] CC[C@@](C)([NH3+])CN1CCC(CC1)[*:1]
Cc1nn(C(C)C)c(C)c1[C@H](C)[NH2+]CCOc1ncc(Cl)cc1Cl Clc1cnc(c(Cl)c1)[*:1] Cc1nn(c(C)c1[C@H](C)[NH2+]CCO[*:1])C(C)C
Cc1nn(C(C)C)c(C)c1[C@H](C)[NH2+]CCOc1ncc(Cl)cc1Cl CC(C)[*:1] Cc1nn(c(C)c1[C@H](C)[NH2+]CCOc1ncc(Cl)cc1Cl)[*:1]
CCc1cccc(CC)c1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] CCc1cccc(CC)c1NC(=O)c1ccc(cc1)C[*:1]
CCc1cccc(CC)c1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1C[*:1] CCc1cccc(CC)c1NC(=O)c1ccc(cc1)[*:1]
Cc1nc(CCNC(=O)c2c(F)cccc2Cl)cs1 Cc1nc(cs1)[*:1] O=C(NCC[*:1])c1c(F)cccc1Cl
O=S(=O)(c1ccc(Br)s1)N1CCN(c2ncccn2)CC1 Brc1ccc(s1)[*:1] O=S(=O)(N1CCN(CC1)c1ncccn1)[*:1]
O=S(=O)(c1ccc(Br)s1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=S(=O)(c1ccc(Br)s1)N1CCN(CC1)[*:1]
CN(C)c1nnc(-c2cnc(N)nc2N)o1 CN(C)[*:1] Nc1ncc(-c2nnc(o2)[*:1])c(N)n1
CC(C)(C#N)c1ccc(Nc2snc(Cl)c2C#N)cc1 CC(C)(C#N)[*:1] N#Cc1c(Cl)nsc1Nc1ccc(cc1)[*:1]
CC(=O)c1ccnc(Oc2cccc(Cl)c2Cl)c1 CC(=O)[*:1] Clc1cccc(Oc2cc(ccn2)[*:1])c1Cl
CCCOc1c(/C=C2/C(=O)Nc3ccc(Cl)cc32)cccc1OCC CCO[*:1] CCCOc1c(/C=C2/C(=O)Nc3ccc(Cl)cc32)cccc1[*:1]
CCCOc1c(/C=C2/C(=O)Nc3ccc(Cl)cc32)cccc1OCC CCCO[*:1] CCOc1cccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c1[*:1]
CCCOc1c(/C=C2/C(=O)Nc3ccc(Cl)cc32)cccc1OCC CCC[*:1] CCOc1cccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c1O[*:1]
Cc1cccc(-c2[nH]ncc2C[NH2+][C@@H](C)[C@H](C)n2cccn2)c1 Cc1cccc(c1)[*:1] C[C@H]([NH2+]Cc1cn[nH]c1[*:1])[C@H](C)n1cccn1
Cc1cccc(-c2[nH]ncc2C[NH2+][C@@H](C)[C@H](C)n2cccn2)c1 c1cnn(c1)[*:1] Cc1cccc(c1)-c1[nH]ncc1C[NH2+][C@@H](C)[C@H](C)[*:1]
CCCCCC(=O)N/N=C(/C)c1ccc(Cl)cc1 CCC[*:1] C/C(=N/NC(=O)CC[*:1])c1ccc(Cl)cc1
CCCCCC(=O)N/N=C(/C)c1ccc(Cl)cc1 CCCC[*:1] C/C(=N/NC(=O)C[*:1])c1ccc(Cl)cc1
CCCCCC(=O)N/N=C(/C)c1ccc(Cl)cc1 CCCCC[*:1] C/C(=N/NC(=O)[*:1])c1ccc(Cl)cc1
CC1(C)CCC[C@@H]1NC(=O)NC1(CC(=O)[O-])CCCCC1 O=C([O-])[*:1] CC1(C)CCC[C@@H]1NC(=O)NC1(CCCCC1)C[*:1]
CC1(C)CCC[C@@H]1NC(=O)NC1(CC(=O)[O-])CCCCC1 O=C([O-])C[*:1] CC1(C)CCC[C@@H]1NC(=O)NC1(CCCCC1)[*:1]
CC1(C)CCC[C@@H]1NC(=O)NC1(CC(=O)[O-])CCCCC1 CC1(C)CCC[C@H]1[*:1] O=C([O-])CC1(CCCCC1)NC(=O)N[*:1]
CC[NH+]1CCc2c(cccc2NC(=O)c2ncccc2C(F)(F)F)C1 FC(F)(F)[*:1] CC[NH+]1CCc2c(cccc2NC(=O)c2ncccc2[*:1])C1
Cc1cccc(N2CCN(c3ncnc(N4CCN(c5ccc(F)cc5)CC4)c3[N+](=O)[O-])CC2)c1C O=[N+]([O-])[*:1] Cc1cccc(c1C)N1CCN(CC1)c1ncnc(c1[*:1])N1CCN(CC1)c1ccc(F)cc1
Cc1cccc(N2CCN(c3ncnc(N4CCN(c5ccc(F)cc5)CC4)c3[N+](=O)[O-])CC2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)c1ncnc(c1[N+](=O)[O-])N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(c3ncnc(N4CCN(c5ccc(F)cc5)CC4)c3[N+](=O)[O-])CC2)c1C Cc1cccc(c1C)[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)[*:1])N1CCN(CC1)c1ccc(F)cc1
Fc1cc(Br)ccc1CSC1COC1 C1OCC1[*:1] Fc1cc(Br)ccc1CS[*:1]
COC(=O)C1(C(C)=O)CC2(CCCC2)C1 CC(=O)[*:1] COC(=O)C1(CC2(CCCC2)C1)[*:1]
COC(=O)C1(C(C)=O)CC2(CCCC2)C1 COC(=O)[*:1] CC(=O)C1(CC2(CCCC2)C1)[*:1]
NS(=O)(=O)Nc1cccc(NC(=O)N[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] NS(=O)(=O)Nc1cccc(c1)NC(=O)N[*:1]
NS(=O)(=O)Nc1cccc(NC(=O)N[C@@H]2CCOC2)c1 NS(=O)(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])N[C@@H]1CCOC1
Cc1ccccc1NC(=O)CCNC(=O)c1ccc(F)cc1F Cc1ccccc1[*:1] O=C(CCNC(=O)c1ccc(F)cc1F)N[*:1]
Cn1cc(C(=O)N2CCCSC[C@H]2C[NH+]2CCCCC2)nn1 Cn1cc(nn1)[*:1] O=C(N1CCCSC[C@H]1C[NH+]1CCCCC1)[*:1]
Cc1c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)sc2nc3n(c(=O)c12)CCCCC3 Clc1ccc(cc1Cl)[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)N(C)CC(=O)N[*:1]
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)[C@@H]1CC(=O)[O-] O=C([O-])[*:1] CCOC(=O)C1=C(C)N(C(=O)[C@@H]1C[*:1])c1ccccc1
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)[C@@H]1CC(=O)[O-] CCOC(=O)[*:1] CC1=C([C@@H](CC(=O)[O-])C(=O)N1c1ccccc1)[*:1]
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)[C@@H]1CC(=O)[O-] c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N(C(=O)[C@@H]1CC(=O)[O-])[*:1]
CC(=O)Nc1cccc(C(=O)N(C)CC[C@H](C)[NH+]2CCCC2)c1 CC(=O)N[*:1] C[C@@H](CCN(C)C(=O)c1cccc(c1)[*:1])[NH+]1CCCC1
CC1=C(C(=O)NCc2ccc(-n3cncn3)cc2)[C@H](C)NC(=O)N1 c1ncn(n1)[*:1] CC1NC(=O)N[C@@H](C)C=1C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(OC)c(-n2c(COC(C)C)n[nH]c2=O)c1 CC(C)[*:1] COc1ccc(OC)c(c1)-n1c(CO[*:1])n[nH]c1=O
COc1ccc(OC)c(-n2c(COC(C)C)n[nH]c2=O)c1 CC(C)OC[*:1] COc1ccc(OC)c(c1)-n1c(n[nH]c1=O)[*:1]
COc1ccc(OC)c(-n2c(COC(C)C)n[nH]c2=O)c1 CC(C)O[*:1] COc1ccc(OC)c(c1)-n1c(C[*:1])n[nH]c1=O
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 c1ccc(cc1)[*:1] N#C[C@@H]([C@H]1CCCN1C(=O)c1cc2ccccc2[nH]1)[*:1]
COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@@H](ON=1)C(=O)N[*:1]
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCN(CC1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCN(CC1)c1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)(C)c1ccc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1 C1CN(CCO1)C[*:1] CC(C)(C)c1ccc(cc1)Cn1c(nc2ccccc2c1=O)[*:1]
CC(C)(C)c1ccc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1 C1CN(CCO1)[*:1] CC(C)(C)c1ccc(cc1)Cn1c(C[*:1])nc2ccccc2c1=O
CC(C)(C)c1ccc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1 CC(C)(C)[*:1] O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1ccc(cc1)[*:1]
CCCCc1nnc(SCC(=O)N2CCc3ccccc3C2)n1N CCC[*:1] Nn1c(C[*:1])nnc1SCC(=O)N1CCc2ccccc2C1
CCCCc1nnc(SCC(=O)N2CCc3ccccc3C2)n1N CCCC[*:1] Nn1c(nnc1[*:1])SCC(=O)N1CCc2ccccc2C1
Cc1noc2ncc(C(=O)N3CCOC[C@H]3C3CC3)cc12 C1CC1[*:1] Cc1noc2ncc(cc12)C(=O)N1CCOC[C@@H]1[*:1]
Cc1cc(C)cc(N2CC[C@@H](/C([O-])=N/[C@@H](C#N)c3ccccc3C)C2=O)c1 Cc1ccccc1[*:1] Cc1cc(C)cc(c1)N1CC[C@H](C1=O)/C([O-])=N/[C@@H](C#N)[*:1]
Cc1cc(C)cc(N2CC[C@@H](/C([O-])=N/[C@@H](C#N)c3ccccc3C)C2=O)c1 Cc1cc(C)cc(c1)[*:1] Cc1ccccc1[C@H](C#N)/N=C(\[O-])[C@@H]1CCN(C1=O)[*:1]
CC1(C)[C@H]2CC=C(/C=N/NC(=S)NCc3ccccc3)[C@@H]1C2 c1ccc(cc1)C[*:1] CC1(C)[C@H]2CC=C(/C=N/NC(=S)N[*:1])[C@@H]1C2
CC1(C)[C@H]2CC=C(/C=N/NC(=S)NCc3ccccc3)[C@@H]1C2 c1ccc(cc1)[*:1] CC1(C)[C@H]2CC=C(/C=N/NC(=S)NC[*:1])[C@@H]1C2
CC(=O)N1N=C(c2c(-c3ccccc3)c3ccccc3[nH]c2=O)C[C@@H]1c1cccc2ncccc12 c1cc(c2cccnc2c1)[*:1] CC(=O)N1N=C(C[C@H]1[*:1])c1c(-c2ccccc2)c2ccccc2[nH]c1=O
CC(=O)N1N=C(c2c(-c3ccccc3)c3ccccc3[nH]c2=O)C[C@@H]1c1cccc2ncccc12 c1ccc(cc1)[*:1] CC(=O)N1N=C(C[C@@H]1c1cccc2ncccc12)c1c(c2ccccc2[nH]c1=O)[*:1]
COC(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 COC(=O)[*:1] N#C[C@@H]1CN(CCN1Cc1ccccc1)C(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)C(=O)N1CCN(C[*:1])[C@H](C#N)C1
COC(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(cc1)C(=O)N1CCN([C@H](C#N)C1)[*:1]
COc1ccc2nc(N/C(N)=N/C(=O)Nc3ccccc3)nc(C)c2c1 c1ccc(cc1)[*:1] COc1ccc2nc(nc(C)c2c1)N/C(N)=N/C(=O)N[*:1]
CC1=NC(C)=C(C(=O)N2CCCC2)[C@@H]1S(=O)(=O)[N-]c1cccc(Cl)c1 O=C(N1CCCC1)[*:1] CC1=NC(C)=C([C@@H]1S(=O)(=O)[N-]c1cccc(Cl)c1)[*:1]
CC1=NC(C)=C(C(=O)N2CCCC2)[C@@H]1S(=O)(=O)[N-]c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC1=NC(C)=C(C(=O)N2CCCC2)[C@@H]1S(=O)(=O)[N-][*:1]
C[C@@H](CCO)C[NH2+][C@H](C)c1nc2c(s1)CCCC2 OCC[*:1] C[C@@H](C[NH2+][C@H](C)c1nc2CCCCc2s1)[*:1]
C[C@@H](CCO)C[NH2+][C@H](C)c1nc2c(s1)CCCC2 C[C@@H](CCO)[*:1] C[C@@H]([NH2+]C[*:1])c1nc2CCCCc2s1
C=CCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 C=CC[*:1] c1nc(S[*:1])c2sc3nc(c4CCCCc4c3c2n1)N1CCOCC1
C=CCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 C=CCS[*:1] c1nc(c2sc3nc(c4CCCCc4c3c2n1)N1CCOCC1)[*:1]
C=CCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 C1CN(CCO1)[*:1] C=CCSc1ncnc2c1sc1nc(c3CCCCc3c12)[*:1]
Cc1cccc(C)c1NC(=O)CS[C@@H]1N=C2C(=O)N=CN=C2N1c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CS[C@@H]1N=C2C(=O)N=CN=C2N1[*:1]
Cc1cccc(C)c1NC(=O)CS[C@@H]1N=C2C(=O)N=CN=C2N1c1ccccc1 Cc1cccc(C)c1[*:1] O=C(CS[C@@H]1N=C2C(=O)N=CN=C2N1c1ccccc1)N[*:1]
C[NH+](C)CCNc1cc(-c2ncccc2C(F)(F)F)c2cc[nH]c2n1 FC(F)(F)[*:1] C[NH+](C)CCNc1cc(-c2ncccc2[*:1])c2cc[nH]c2n1
O=C(Nc1ccnc2ccnn12)C1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1ccnc2ccnn12)C1(CC1)[*:1]
Cc1ccc(CCCC(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)s1 Cc1ccc(C[*:1])s1 C[C@@H](NC(=O)CC[*:1])C(=O)N1CCS(=O)(=O)CC1
Cc1ccc(CCCC(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)s1 Cc1ccc(s1)[*:1] C[C@@H](NC(=O)CCC[*:1])C(=O)N1CCS(=O)(=O)CC1
Cc1ccc(CCCC(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)s1 Cc1ccc(CC[*:1])s1 C[C@@H](NC(=O)C[*:1])C(=O)N1CCS(=O)(=O)CC1
CC1(C)CCC[C@@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 c1ccc(nc1)[*:1] CC1(C)CCC[C@@H]1[NH2+]CCc1nc(cs1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 CC(C)[*:1] O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 CC(C)O[*:1] O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 O=C(NC1CCCCC1)[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
CN(CC[NH+]1CCCC1)CC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CN(CC[NH+]1CCCC1)CC(=O)NC[*:1]
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)O C[C@H](O)[*:1] Cc1cc(F)c(cc1S(=O)(=O)NCC[*:1])[N+](=O)[O-]
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)O C[C@H](O)CC[*:1] Cc1cc(F)c(cc1S(=O)(=O)N[*:1])[N+](=O)[O-]
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)O O=[N+]([O-])[*:1] Cc1cc(F)c(cc1S(=O)(=O)NCC[C@H](C)O)[*:1]
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)O C[C@H](O)C[*:1] Cc1cc(F)c(cc1S(=O)(=O)NC[*:1])[N+](=O)[O-]
CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 CC(C)[*:1] O=C(N/N=C/c1ccc(Br)cc1)c1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NN=C[*:1]
CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 CC(C)C(=O)N[*:1] O=C(N/N=C/c1ccc(Br)cc1)c1ccc(cc1)[*:1]
O=C(CCc1ccco1)Oc1ccc(NC(=O)c2ccccc2)cc1 c1coc(c1)C[*:1] O=C(C[*:1])Oc1ccc(cc1)NC(=O)c1ccccc1
O=C(CCc1ccco1)Oc1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCc1ccco1)Oc1ccc(cc1)NC(=O)[*:1]
O=C(CCc1ccco1)Oc1ccc(NC(=O)c2ccccc2)cc1 c1coc(c1)[*:1] O=C(CC[*:1])Oc1ccc(cc1)NC(=O)c1ccccc1
O=C(CCc1ccco1)Oc1ccc(NC(=O)c2ccccc2)cc1 c1coc(c1)CC[*:1] O=C(Nc1ccc(cc1)OC(=O)[*:1])c1ccccc1
CC(C)(C)[S@@](=O)CC[NH2+]Cc1cccc2cn[nH]c12 CC(C)(C)[*:1] O=[S@@](CC[NH2+]Cc1cccc2cn[nH]c12)[*:1]
CC(C)(C)[S@@](=O)CC[NH2+]Cc1cccc2cn[nH]c12 CC(C)(C)[S@@](=O)[*:1] c1cc(C[NH2+]CC[*:1])c2[nH]ncc2c1
CCOC(=O)[C@H](CC(C)C)c1nc2cnccc2s1 CC(C)[*:1] CCOC(=O)[C@H](C[*:1])c1nc2cnccc2s1
CCOC(=O)[C@H](CC(C)C)c1nc2cnccc2s1 CC(C)C[*:1] CCOC(=O)[C@H](c1nc2cnccc2s1)[*:1]
CCOC(=O)[C@H](CC(C)C)c1nc2cnccc2s1 CCOC(=O)[*:1] CC(C)C[C@H](c1nc2cnccc2s1)[*:1]
CCC[NH2+][C@@H](C)c1ccnc(Sc2nnc(N(C)C)s2)c1 CN(C)[*:1] CCC[NH2+][C@@H](C)c1ccnc(c1)Sc1nnc(s1)[*:1]
CCC[NH2+][C@@H](C)c1ccnc(Sc2nnc(N(C)C)s2)c1 CCC[*:1] C[C@H]([NH2+][*:1])c1ccnc(c1)Sc1nnc(s1)N(C)C
O=C(NCc1cccc(C(=O)NCc2ccco2)c1)Nc1c(F)cccc1F c1coc(c1)[*:1] O=C(NCc1cccc(c1)C(=O)NC[*:1])Nc1c(F)cccc1F
O=C(NCc1cccc(C(=O)NCc2ccco2)c1)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(NCc1cccc(c1)C(=O)NCc1ccco1)N[*:1]
O=C(NCc1cccc(C(=O)NCc2ccco2)c1)Nc1c(F)cccc1F O=C(NCc1ccco1)[*:1] O=C(NCc1cccc(c1)[*:1])Nc1c(F)cccc1F
O=C(NCc1cccc(C(=O)NCc2ccco2)c1)Nc1c(F)cccc1F c1coc(c1)C[*:1] O=C(NCc1cccc(c1)C(=O)N[*:1])Nc1c(F)cccc1F
COc1ccccc1[C@H](C)N(C)C(=O)c1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] COc1ccccc1[C@H](C)N(C)C(=O)c1cccc(c1)C[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)c1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] COc1ccccc1[C@H](C)N(C)C(=O)c1cccc(c1)[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)c1cccc(CS(C)(=O)=O)c1 COc1ccccc1[*:1] C[C@H](N(C)C(=O)c1cccc(c1)CS(C)(=O)=O)[*:1]
COC(=O)C[C@H](N=C=O)c1cccc([N+](=O)[O-])c1 O=C=N[*:1] COC(=O)C[C@H](c1cccc(c1)[N+](=O)[O-])[*:1]
COC(=O)C[C@H](N=C=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)C[C@H](N=C=O)c1cccc(c1)[*:1]
COC(=O)C[C@H](N=C=O)c1cccc([N+](=O)[O-])c1 COC(=O)C[*:1] O=C=N[C@H](c1cccc(c1)[N+](=O)[O-])[*:1]
COC(=O)C[C@H](N=C=O)c1cccc([N+](=O)[O-])c1 COC(=O)[*:1] O=C=N[C@@H](C[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(c1ccco1)N1c2ncccc2Oc2nc3ccccc3nc21 c1coc(c1)[*:1] O=C(N1c2ncccc2Oc2nc3ccccc3nc21)[*:1]
C[C@H](CC(=O)Nc1ccc2c(c1)COC2)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H](CC(=O)Nc1ccc2COCc2c1)NC(=O)[*:1]
NS(=O)(=O)CCN1CCN(Cc2cc(O)ccc2Br)CC1 NS(=O)(=O)[*:1] Oc1ccc(Br)c(c1)CN1CCN(CC1)CC[*:1]
NS(=O)(=O)CCN1CCN(Cc2cc(O)ccc2Br)CC1 NS(=O)(=O)CC[*:1] Oc1ccc(Br)c(c1)CN1CCN(CC1)[*:1]
NS(=O)(=O)CCN1CCN(Cc2cc(O)ccc2Br)CC1 NS(=O)(=O)C[*:1] Oc1ccc(Br)c(c1)CN1CCN(CC1)C[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C C[C@H]1C[C@H]1[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C Clc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H]([C@@H]1C[C@@H]1C)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C Cc1n[nH]c(C)c1[*:1] C[C@H]1C[C@H]1[C@H](NC(=O)[C@H](C)C[*:1])c1ccc(Cl)cc1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C Cc1n[nH]c(C)c1C[*:1] C[C@H]1C[C@H]1[C@H](NC(=O)[C@H](C)[*:1])c1ccc(Cl)cc1
Cc1cccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)c1 Cc1cccc(c1)[*:1] O=S1(=O)C[C@@H]2N=C(SC[*:1])N(c3ccc(Br)cc3F)[C@H]2C1
Cc1cccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)c1 Fc1cc(Br)ccc1[*:1] Cc1cccc(c1)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1cccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)c1 Cc1cccc(c1)C[*:1] O=S1(=O)C[C@@H]2N=C(S[*:1])N(c3ccc(Br)cc3F)[C@H]2C1
CCCc1noc(CSCc2ccccc2C#N)n1 CCC[*:1] N#Cc1ccccc1CSCc1nc(no1)[*:1]
CC(C)c1ocnc1CSCC(=O)N1CCO[C@@H]2CCCC[C@H]21 CC(C)[*:1] O=C(CSCc1ncoc1[*:1])N1CCO[C@@H]2CCCC[C@H]21
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN1CCCS1(=O)=O O=S1(=O)CCCN1C[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN1CCCS1(=O)=O O=S1(=O)CCCN1[*:1] Cc1cc(C)c(c(C)c1C(=O)NCC[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN1CCCS1(=O)=O O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)NCCN1CCCS1(=O)=O)[*:1]
O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)N[*:1]
O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccccc1Cl c1ccc(cc1)CC[*:1] O=C(CSc1n[nH]c(=O)n1[*:1])Nc1ccccc1Cl
O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccccc1Cl c1ccc(cc1)[*:1] O=C(CSc1n[nH]c(=O)n1CC[*:1])Nc1ccccc1Cl
O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccccc1Cl c1ccc(cc1)C[*:1] O=C(CSc1n[nH]c(=O)n1C[*:1])Nc1ccccc1Cl
C=CCn1c(=S)sc2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)cnc21 FC(F)(F)[*:1] C=CCn1c(=S)sc2c(=O)n(cnc21)CC(=O)Nc1ccccc1[*:1]
C=CCn1c(=S)sc2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)cnc21 C=CC[*:1] O=C(Cn1cnc2c(sc(=S)n2[*:1])c1=O)Nc1ccccc1C(F)(F)F
Cc1cc(Br)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 Cc1cc(Br)ccc1[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)/C=C/c1cccc(c1)[*:1]
COC(=O)[C@@H](C)Sc1nc2ccccc2n1-c1ccccc1 COC(=O)[C@@H](C)S[*:1] c1ccc(cc1)-n1c(nc2ccccc21)[*:1]
COC(=O)[C@@H](C)Sc1nc2ccccc2n1-c1ccccc1 COC(=O)[*:1] C[C@@H](Sc1nc2ccccc2n1-c1ccccc1)[*:1]
COC(=O)[C@@H](C)Sc1nc2ccccc2n1-c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)Sc1nc2ccccc2n1[*:1]
COC(=O)[C@@H](C)Sc1nc2ccccc2n1-c1ccccc1 COC(=O)[C@@H](C)[*:1] c1ccc(cc1)-n1c(nc2ccccc21)S[*:1]
CC[C@H](C)CS(=O)(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 CC[C@H](C)C[*:1] O=S(=O)(N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
CC[C@H](C)CS(=O)(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] CC[C@H](C)CS(=O)(=O)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
CC[C@H](C)CS(=O)(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 CC[C@H](C)[*:1] O=S(=O)(C[*:1])N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F
Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1/N=C1/N[C@@H]2CS(=O)(=O)C[C@@H]2S1 Fc1ccccc1[*:1] Cc1ccc(cc1/N=C1/N[C@@H]2CS(=O)(=O)C[C@@H]2S1)C(=O)N1CCN(CC1)[*:1]
COc1ccc(CN(C)C(=O)[C@H](C)Nc2cccc(CO)c2)cc1F OCc1cccc(c1)[*:1] COc1ccc(cc1F)CN(C)C(=O)[C@H](C)N[*:1]
CN(C(=O)CN1CCN(C(=O)c2ccccc2F)CC1)C1CCCCC1 Fc1ccccc1[*:1] CN(C(=O)CN1CCN(CC1)C(=O)[*:1])C1CCCCC1
CN(C(=O)CN1CCN(C(=O)c2ccccc2F)CC1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)CN1CCN(CC1)C(=O)c1ccccc1F)[*:1]
Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F Clc1ccc(cc1)[*:1] Cc1noc(C)c1CCC(=O)N[C@@H](C(F)(F)F)[*:1]
Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F FC(F)(F)[*:1] Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F Cc1noc(C)c1[*:1] O=C(CC[*:1])N[C@@H](c1ccc(Cl)cc1)C(F)(F)F
Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F Cc1noc(C)c1C[*:1] O=C(C[*:1])N[C@@H](c1ccc(Cl)cc1)C(F)(F)F
C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC=C(c3ccccc3Cl)CC2)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(CC(=O)N2CC=C(CC2)c2ccccc2Cl)C1=O)[*:1]
C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC=C(c3ccccc3Cl)CC2)C1=O Clc1ccccc1[*:1] C[C@]1(NC(=O)N(CC(=O)N2CC=C(CC2)[*:1])C1=O)C1CC1
CCC[C@@]1(C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O CCC[*:1] C[C@]1(NC(=O)N(Cc2ccc(cc2)[N+](=O)[O-])C1=O)[*:1]
CCC[C@@]1(C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] CCC[C@@]1(C)NC(=O)N(Cc2ccc(cc2)[*:1])C1=O
COc1cc(CNC(=O)N[C@H](C)c2ccc(-c3cncnc3)cc2)ccn1 COc1cc(ccn1)C[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)-c1cncnc1
COc1cc(CNC(=O)N[C@H](C)c2ccc(-c3cncnc3)cc2)ccn1 COc1cc(ccn1)[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(cc1)-c1cncnc1
COc1cc(CNC(=O)N[C@H](C)c2ccc(-c3cncnc3)cc2)ccn1 c1ncc(cn1)[*:1] COc1cc(ccn1)CNC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CN(C[C@H](O)C(F)(F)F)c1nc(-c2ccncc2)nc2c1CCC2 c1cc(ccn1)[*:1] CN(C[C@H](O)C(F)(F)F)c1nc(nc2CCCc21)[*:1]
CN(C[C@H](O)C(F)(F)F)c1nc(-c2ccncc2)nc2c1CCC2 FC(F)(F)[*:1] CN(C[C@H](O)[*:1])c1nc(nc2CCCc21)-c1ccncc1
CCSc1ccc([C@@H](C)NC(=O)[C@@H]2CCO[C@@H]2C)cc1 CCS[*:1] C[C@@H](NC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(cc1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1Cl Clc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)c1cccc(c1)N1C(=O)CCS1(=O)=O)[*:1]
C[NH+](C)[C@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1Cl O=C1CCS(=O)(=O)N1[*:1] C[NH+](C)[C@H](CNC(=O)c1cccc(c1)[*:1])c1ccccc1Cl
C[C@H](OC(=O)c1ccccc1Br)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](OC(=O)c1ccccc1Br)C(=O)N[*:1]
C[C@H](OC(=O)c1ccccc1Br)C(=O)Nc1ccc(Cl)cc1 Brc1ccccc1[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1ccc(Cl)cc1
Cn1c(C2CC2)nn(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1=S C1CC1[*:1] Cn1c(nn(CN([C@H]2CCS(=O)(=O)C2)[*:1])c1=S)C1CC1
Cn1c(C2CC2)nn(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1=S O=S1(=O)CC[C@@H](C1)[*:1] Cn1c(nn(CN(C2CC2)[*:1])c1=S)C1CC1
Cn1c(C2CC2)nn(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1=S C1CC1[*:1] Cn1c(nn(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1=S)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([C@H]([NH3+])c2ccsc2)C1 CS(=O)(=O)[*:1] [NH3+][C@H](c1ccsc1)[C@@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([C@H]([NH3+])c2ccsc2)C1 c1cc(cs1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[C@H]([NH3+])[*:1]
NC(=O)c1cccc(CCN[C@H]2CCc3cc(Br)ccc32)c1 NC(=O)[*:1] Brc1ccc2c(c1)CC[C@@H]2NCCc1cccc(c1)[*:1]
Cc1nc(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccccc2)sc1C c1ccc(cc1)[*:1] Cc1nc(NC(=O)[C@H](C)Sc2nnc(C[*:1])n2-c2ccccc2)sc1C
Cc1nc(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccccc2)sc1C Cc1nc(NC(=O)[*:1])sc1C C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)[*:1]
Cc1nc(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccccc2)sc1C c1ccc(cc1)C[*:1] Cc1nc(NC(=O)[C@H](C)Sc2nnc(n2-c2ccccc2)[*:1])sc1C
Cc1nc(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccccc2)sc1C Cc1nc(sc1C)[*:1] C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)N[*:1]
Cc1nc(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccccc2)sc1C c1ccc(cc1)[*:1] Cc1nc(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3)n2[*:1])sc1C
CC[C@@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 FC(F)(F)[*:1] CC[C@@H](NC(=O)C(=O)Nc1cccc(c1)[*:1])c1ccc(C)cc1
CC[C@@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
c1cnn(Cc2ccc(C[NH+]3CCC4(CC[NH2+]CC4)C3)cc2)c1 c1cnn(c1)[*:1] c1cc(ccc1C[NH+]1CCC2(CC[NH2+]CC2)C1)C[*:1]
c1cnn(Cc2ccc(C[NH+]3CCC4(CC[NH2+]CC4)C3)cc2)c1 c1cnn(c1)C[*:1] c1cc(ccc1C[NH+]1CCC2(CC[NH2+]CC2)C1)[*:1]
Cc1nn(CC(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)c(C)c1C Cn1ncc(cc1=O)[*:1] Cc1nn(CC(=O)N2CCN(CC2)[*:1])c(C)c1C
Cc1nn(CC(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)c(C)c1C Cc1nn(c(C)c1C)[*:1] Cn1ncc(cc1=O)N1CCN(CC1)C(=O)C[*:1]
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(cc1)[*:1]
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(-n2ccnn2)cc1 c1coc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1ccc(cc1)-n1ccnn1
C[NH2+][C@@H](Cc1cc(OC)ccc1Br)C(OC)OC COC(OC)[*:1] C[NH2+][C@@H](Cc1cc(ccc1Br)OC)[*:1]
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 Cc1cccc(c1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCN(C)S(=O)(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCN(C)S(=O)(=O)N1CCC(CC1)[C@H](O)[*:1]
COc1ccc(Cl)c(NC(=O)N(C)[C@@H](C)CC#N)c1 N#CC[*:1] COc1ccc(Cl)c(c1)NC(=O)N(C)[C@@H](C)[*:1]
C[C@@H]1CN(C(=O)CN2CCc3nc(NC(=O)c4cnccn4)sc3C2)C[C@@H](C)O1 O=C(N[*:1])c1cnccn1 C[C@@H]1CN(C[C@@H](C)O1)C(=O)CN1CCc2nc(sc2C1)[*:1]
C[C@@H]1CN(C(=O)CN2CCc3nc(NC(=O)c4cnccn4)sc3C2)C[C@@H](C)O1 c1cnc(cn1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CN1CCc2nc(NC(=O)[*:1])sc2C1
N#Cc1c(F)cccc1N1CCC[NH+](CCO)CC1 OCC[*:1] N#Cc1c(F)cccc1N1CCC[NH+](CC1)[*:1]
CCc1nnc(CS(=O)(=O)CC(=O)Nc2cccc(C(C)C)c2)n1C CC(C)[*:1] CCc1nnc(CS(=O)(=O)CC(=O)Nc2cccc(c2)[*:1])n1C
CCc1nnc(CS(=O)(=O)CC(=O)Nc2cccc(C(C)C)c2)n1C CCc1nnc(n1C)[*:1] CC(C)c1cccc(c1)NC(=O)CS(=O)(=O)C[*:1]
O=C(CC1CCOCC1)NC[C@H](O)c1cccc(OC(F)F)c1 C1CC(CCO1)C[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)[*:1]
O=C(CC1CCOCC1)NC[C@H](O)c1cccc(OC(F)F)c1 C1CC(CCO1)[*:1] O=C(C[*:1])NC[C@H](O)c1cccc(c1)OC(F)F
O=C(CC1CCOCC1)NC[C@H](O)c1cccc(OC(F)F)c1 FC(F)[*:1] O=C(CC1CCOCC1)NC[C@H](O)c1cccc(c1)O[*:1]
O=C(CC1CCOCC1)NC[C@H](O)c1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(CC1CCOCC1)NC[C@H](O)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)Nc2ccc(COC(C)(C)C)cc2)c1 CC(C)(C)O[*:1] CC(=O)Nc1cccc(c1)NC(=O)Nc1ccc(cc1)C[*:1]
CC(=O)Nc1cccc(NC(=O)Nc2ccc(COC(C)(C)C)cc2)c1 CC(=O)N[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)Nc2ccc(COC(C)(C)C)cc2)c1 CC(C)(C)OC[*:1] CC(=O)Nc1cccc(c1)NC(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1cccc(NC(=O)Nc2ccc(COC(C)(C)C)cc2)c1 CC(C)(C)[*:1] CC(=O)Nc1cccc(c1)NC(=O)Nc1ccc(cc1)CO[*:1]
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(cc1)[*:1]
CC(C)[C@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)N1CCCc2ccccc21 CC(C)[*:1] O=C1CC[C@H](CN1)C(=O)O[C@H](C(=O)N1CCCc2ccccc21)[*:1]
Cn1cc([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)cc2)cn1 Cn1cc(cn1)[*:1] O=C(c1ccc(cc1)-n1ccnc1)N1CCC[C@@H]1[*:1]
Cn1cc([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)cc2)cn1 c1cn(cn1)[*:1] Cn1cc(cn1)[C@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
O=C(NCCNC(=O)c1c(F)cccc1F)c1sc2ccccc2c1Cl Fc1cccc(F)c1[*:1] O=C(NCCNC(=O)[*:1])c1sc2ccccc2c1Cl
CCc1nc([C@H](C)NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cs1 CCc1nc(cs1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)N[C@@H](C)[*:1]
CCc1nc([C@H](C)NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cs1 Cc1ccc(cc1)[*:1] CCc1nc(cs1)[C@H](C)NC(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
O=c1[nH]c(Cn2nnc(-c3ccccc3Cl)n2)nc2sc3c(c12)CCC3 Clc1ccccc1[*:1] O=c1[nH]c(Cn2nnc(n2)[*:1])nc2sc3CCCc3c12
OCCNc1ncnc2ccc(-n3ccnc3-c3ccccn3)cc12 OCCN[*:1] c1ccc(nc1)-c1nccn1-c1ccc2ncnc(c2c1)[*:1]
OCCNc1ncnc2ccc(-n3ccnc3-c3ccccn3)cc12 c1ccc(nc1)[*:1] OCCNc1ncnc2ccc(cc12)-n1ccnc1[*:1]
OCCNc1ncnc2ccc(-n3ccnc3-c3ccccn3)cc12 OCC[*:1] c1ccc(nc1)-c1nccn1-c1ccc2ncnc(N[*:1])c2c1
N#C[C@@]1(NC2CC2)CCC[C@H](Oc2ccccc2)C1 c1ccc(cc1)[*:1] N#C[C@]1(CCC[C@@H](C1)O[*:1])NC1CC1
N#C[C@@]1(NC2CC2)CCC[C@H](Oc2ccccc2)C1 C1CC1[*:1] N#C[C@]1(CCC[C@@H](C1)Oc1ccccc1)N[*:1]
N#C[C@@]1(NC2CC2)CCC[C@H](Oc2ccccc2)C1 C1CC1N[*:1] N#C[C@]1(CCC[C@@H](C1)Oc1ccccc1)[*:1]
COc1cccc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 COc1cccc(c1)[*:1] O=C(CS[*:1])Nc1cc(Cl)ccc1-n1cncn1
COc1cccc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 c1ncn(n1)[*:1] COc1cccc(c1)SCC(=O)Nc1cc(Cl)ccc1[*:1]
O=C(CNC(=O)Nc1cccc(Cl)c1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CNC(=O)Nc1cccc(Cl)c1)N[*:1]
O=C(CNC(=O)Nc1cccc(Cl)c1)NCc1ccco1 c1coc(c1)[*:1] O=C(CNC(=O)Nc1cccc(Cl)c1)NC[*:1]
O=C(CNC(=O)Nc1cccc(Cl)c1)NCc1ccco1 Clc1cccc(c1)[*:1] O=C(CNC(=O)N[*:1])NCc1ccco1
CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] CN(C)C(=O)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)CC[*:1]
CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2ccccc12 CN(C)C(=O)[*:1] O=C(CCc1c[nH]c2ccccc12)N1CC[C@H](C1)c1cc(c2ccccc2n1)[*:1]
CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2ccccc12 c1ccc2c(c[nH]c2c1)CC[*:1] CN(C)C(=O)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)[*:1]
CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2ccccc12 c1ccc2c(c[nH]c2c1)C[*:1] CN(C)C(=O)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)C[*:1]
CCOC(=O)[C@@H](c1ccc(O)cc1)N1CCCCCC1=O CCOC(=O)[*:1] O=C1CCCCCN1[C@H](c1ccc(O)cc1)[*:1]
CCOC(=O)[C@@H](c1ccc(O)cc1)N1CCCCCC1=O Oc1ccc(cc1)[*:1] CCOC(=O)[C@@H](N1CCCCCC1=O)[*:1]
CCOc1ccccc1OC(=O)[C@@H]1Cc2ccccc2C(=O)O1 CCO[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)Oc1ccccc1[*:1]
COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(Br)c1 O=[N+]([O-])[*:1] COC(=O)C[C@@H](NC(=O)c1ccc(o1)[*:1])c1cccc(Br)c1
COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(Br)c1 COC(=O)[*:1] O=C(N[C@H](C[*:1])c1cccc(Br)c1)c1ccc(o1)[N+](=O)[O-]
COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(Br)c1 COC(=O)C[*:1] O=C(N[C@@H](c1cccc(Br)c1)[*:1])c1ccc(o1)[N+](=O)[O-]
COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(Br)c1 O=[N+]([O-])c1ccc(o1)[*:1] COC(=O)C[C@@H](NC(=O)[*:1])c1cccc(Br)c1
COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] COC(=O)C[C@@H](NC(=O)c1ccc(o1)[N+](=O)[O-])[*:1]
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CSCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] C[C@H](c1ccc(cc1)S(N)(=O)=O)N(C)C(=O)CS[*:1]
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CSCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](c1ccc(cc1)S(N)(=O)=O)N(C)C(=O)CSC[*:1]
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CSCc1cccc(Cl)c1 NS(=O)(=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)CSCc1cccc(Cl)c1
COC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 COC(=O)[C@H](C)[*:1] Cc1cc(=O)oc2cc(ccc12)O[*:1]
COC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 COC(=O)[*:1] Cc1cc(=O)oc2cc(ccc12)O[C@@H](C)[*:1]
CCc1cccc(NC(=O)COC(=O)CN2CCSC2=O)c1 O=C1SCCN1[*:1] CCc1cccc(c1)NC(=O)COC(=O)C[*:1]
CCc1cccc(NC(=O)COC(=O)CN2CCSC2=O)c1 O=C1SCCN1C[*:1] CCc1cccc(c1)NC(=O)COC(=O)[*:1]
CCc1onc(C)c1NC(=O)NCc1cc(C(=O)OC)c(C)o1 COC(=O)[*:1] CCc1onc(C)c1NC(=O)NCc1cc(c(C)o1)[*:1]
Cc1ncncc1C(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 Cc1ncncc1[*:1] Cn1nc(cc1C[NH+]1CCC(CC1)NC(=O)[*:1])-c1ccc(F)cc1
Cc1ncncc1C(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 Cc1ncncc1C(=O)N[*:1] Cn1nc(cc1C[NH+]1CCC(CC1)[*:1])-c1ccc(F)cc1
Cc1ncncc1C(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 Fc1ccc(cc1)[*:1] Cc1ncncc1C(=O)NC1CC[NH+](CC1)Cc1cc(nn1C)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 CC(C)(C)[*:1] O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(C1)C(=O)O[*:1]
O=S(=O)(NCCn1ccnc1-c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=S(=O)(NCCn1ccnc1-c1ccccc1)[*:1]
O=S(=O)(NCCn1ccnc1-c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] O=S(=O)(NCCn1ccnc1[*:1])c1cccc(F)c1
O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccccc1Cl Fc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccccc1Cl
O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1nnc(o1)-c1ccc(F)cc1)[*:1]
Cc1cccc(NC(=O)COc2cccc(C(=O)NN)c2)c1C NNC(=O)[*:1] Cc1cccc(NC(=O)COc2cccc(c2)[*:1])c1C
CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 CN(C)C(=O)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc2OCCCOc2c1
CCOc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 CCOc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1ccc2OCOc2c1)N[*:1]
CCOc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 CCO[*:1] O=C(CSc1nnc(o1)-c1ccc2OCOc2c1)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 c1cc2OCOc2cc1[*:1] CCOc1ccc(cc1)NC(=O)CSc1nnc(o1)[*:1]
O=C1CSc2ncc(C(=O)Nc3cccc(OCC4CCCCC4)c3)cc2N1 C1CCC(CC1)[*:1] O=C1CSc2ncc(cc2N1)C(=O)Nc1cccc(c1)OC[*:1]
O=C1CSc2ncc(C(=O)Nc3cccc(OCC4CCCCC4)c3)cc2N1 C1CCC(CC1)C[*:1] O=C1CSc2ncc(cc2N1)C(=O)Nc1cccc(c1)O[*:1]
O=C1CSc2ncc(C(=O)Nc3cccc(OCC4CCCCC4)c3)cc2N1 C1CCC(CC1)CO[*:1] O=C1CSc2ncc(cc2N1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(O)c(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]n2)c1 c1ccc(cc1)[*:1] Cc1ccc(O)c(c1)-c1cc([nH]n1)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
Cc1ccc(O)c(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]n2)c1 Cc1ccc(O)c(c1)[*:1] Cc1c(NC(=O)c2cc(n[nH]2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 Oc1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)NCc1ccccc1Cl
Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 Clc1ccccc1[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(O)cc3)c21)C(=O)NC[*:1]
Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 Clc1ccccc1C[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(O)cc3)c21)C(=O)N[*:1]
Cc1ccc([C@H](C)NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)s1 O=C([O-])[*:1] Cc1ccc(s1)[C@H](C)NC(=O)N[C@](C)(C(F)(F)F)[*:1]
Cc1ccc([C@H](C)NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)s1 Cc1ccc(s1)[*:1] C[C@H](NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)[*:1]
Cc1ccc([C@H](C)NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)s1 FC(F)(F)[*:1] Cc1ccc(s1)[C@H](C)NC(=O)N[C@](C)(C(=O)[O-])[*:1]
C[C@H](CC(=O)O[C@H](C)C1CC1)C(=O)c1cccc(F)c1 C[C@H](C1CC1)[*:1] C[C@H](CC(=O)O[*:1])C(=O)c1cccc(F)c1
C[C@H](CC(=O)O[C@H](C)C1CC1)C(=O)c1cccc(F)c1 C1CC1[*:1] C[C@H](CC(=O)O[C@H](C)[*:1])C(=O)c1cccc(F)c1
CC[C@H](NC(=O)[C@H]1CCO[C@@H]1C)c1nc(C)cs1 C[C@H]1OCC[C@@H]1[*:1] CC[C@H](NC(=O)[*:1])c1nc(C)cs1
CC[C@H](NC(=O)[C@H]1CCO[C@@H]1C)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)[C@H]1CCO[C@@H]1C)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 COc1ccc(cc1)[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1[*:1]
C[C@H]1Cc2ccccc2N1C(=O)NCc1ccnc(OCC(F)F)c1 FC(F)[*:1] C[C@H]1Cc2ccccc2N1C(=O)NCc1ccnc(c1)OC[*:1]
C[C@H]1Cc2ccccc2N1C(=O)NCc1ccnc(OCC(F)F)c1 FC(F)C[*:1] C[C@H]1Cc2ccccc2N1C(=O)NCc1ccnc(c1)O[*:1]
C[C@H]1Cc2ccccc2N1C(=O)NCc1ccnc(OCC(F)F)c1 FC(F)CO[*:1] C[C@H]1Cc2ccccc2N1C(=O)NCc1ccnc(c1)[*:1]
O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccnc3ccccc13)n1ncnc1N2 c1csc(c1)[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@H](C=21)c1ccnc2ccccc12)[*:1]
CC(C)(C)n1ncc2c(=O)n(NC(=O)c3cccc4ccccc34)cnc21 CC(C)(C)[*:1] O=C(Nn1cnc2c(cnn2[*:1])c1=O)c1cccc2ccccc12
O=S(=O)(CCC1CC1)N[C@@H]1CCN(c2ncccc2Cl)C1 Clc1cccnc1[*:1] O=S(=O)(CCC1CC1)N[C@@H]1CCN(C1)[*:1]
O=S(=O)(CCC1CC1)N[C@@H]1CCN(c2ncccc2Cl)C1 C1CC1C[*:1] O=S(=O)(C[*:1])N[C@@H]1CCN(C1)c1ncccc1Cl
O=S(=O)(CCC1CC1)N[C@@H]1CCN(c2ncccc2Cl)C1 C1CC1[*:1] O=S(=O)(CC[*:1])N[C@@H]1CCN(C1)c1ncccc1Cl
O=S(=O)(CCC1CC1)N[C@@H]1CCN(c2ncccc2Cl)C1 C1CC1CC[*:1] O=S(=O)(N[C@@H]1CCN(C1)c1ncccc1Cl)[*:1]
C[C@H](NC(=O)C[C@H](O)c1cccc(F)c1)C(=O)N1CCc2ccccc21 Fc1cccc(c1)[*:1] C[C@H](NC(=O)C[C@H](O)[*:1])C(=O)N1CCc2ccccc21
c1ccc(CSC2=NN[C@H](c3ccccn3)S2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)CSC1=NN[C@H](S1)[*:1]
c1ccc(CSC2=NN[C@H](c3ccccn3)S2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)[C@H]1NN=C(SC[*:1])S1
C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)N1CCC[C@H]1c1cccs1 C1CCC(CC1)[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)N1CCC[C@H]1c1cccs1
C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] C[C@@H](Sc1nnc(o1)C1CCCCC1)C(=O)N1CCC[C@@H]1[*:1]
COc1ccc(Cl)cc1N1CC[C@@H](Nc2nnc(C)s2)C1 Cc1nnc(N[*:1])s1 COc1ccc(Cl)cc1N1CC[C@@H](C1)[*:1]
COc1ccc(Cl)cc1N1CC[C@@H](Nc2nnc(C)s2)C1 Cc1nnc(s1)[*:1] COc1ccc(Cl)cc1N1CC[C@H](C1)N[*:1]
CCOc1ccc2c(c1)[C@@H](NC[C@H](OC)c1ccc(F)cc1)CCO2 Fc1ccc(cc1)[*:1] CCOc1ccc2OCC[C@H](NC[C@H](OC)[*:1])c2c1
CCOc1ccc2c(c1)[C@@H](NC[C@H](OC)c1ccc(F)cc1)CCO2 CCO[*:1] CO[C@@H](CN[C@H]1CCOc2ccc(cc21)[*:1])c1ccc(F)cc1
O=C(c1ccc2[nH]cnc2c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 c1nc2cc(ccc2[nH]1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)N1CCCCCC1)[*:1]
CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](C)CC1 CCO[*:1] C[C@H]1CCCN(CC1)C(=O)C(=O)Nc1ccc(F)cc1[*:1]
CC[NH2+][C@@H](Cc1cc(C)nn1CC)[C@H](C)OC CO[C@@H](C)[*:1] CC[NH2+][C@@H](Cc1cc(C)nn1CC)[*:1]
CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1 c1ccc(cc1)[*:1] CCC(=O)N1CC[C@H](C1)C(=O)N[C@@H]1CCCN(C[*:1])C1=O
CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1 c1ccc(cc1)C[*:1] CCC(=O)N1CC[C@H](C1)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
CCCS(=O)(=O)[N-]c1cccc(NC(=O)[C@@H]2CCO[C@@H]2C)c1 CCC[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1cccc(c1)[N-]S(=O)(=O)[*:1]
C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccc3cn[nH]c23)C[C@@H](C)O1 c1cc(c2[nH]ncc2c1)[*:1] C[C@@H]1CN(Cc2ccccc2CNC(=O)[*:1])C[C@@H](C)O1
CCCC[C@H](O)[C@H](F)C(=O)[O-] CCC[*:1] O=C([O-])[C@@H](F)[C@@H](O)C[*:1]
CCCC[C@H](O)[C@H](F)C(=O)[O-] O=C([O-])[*:1] CCCC[C@H](O)[C@H](F)[*:1]
C[C@@H](NC(=O)N(C)Cc1ccc(Cl)s1)[C@@H]1CCCO1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)N(C)C[*:1])[C@@H]1CCCO1
C[C@@H](NC(=O)N(C)Cc1ccc(Cl)s1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)N(C)Cc1ccc(Cl)s1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)N1CCN(CC1)C(=O)[C@@H]1CCCO1)[*:1]
O=C(CCCn1cncn1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 c1ncn(CCC[*:1])n1 O=C(N1CCC[C@H]1c1nc(no1)-c1ccccc1)[*:1]
O=C(CCCn1cncn1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(CCCn1cncn1)N1CCC[C@H]1c1nc(no1)[*:1]
O=C(CCCn1cncn1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 c1ncn(C[*:1])n1 O=C(CC[*:1])N1CCC[C@H]1c1nc(no1)-c1ccccc1
O=C(CCCn1cncn1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 c1ncn(CC[*:1])n1 O=C(C[*:1])N1CCC[C@H]1c1nc(no1)-c1ccccc1
O=C(CCCn1cncn1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 c1ncn(n1)[*:1] O=C(CCC[*:1])N1CCC[C@H]1c1nc(no1)-c1ccccc1
COc1ccc(-c2n[nH]c3c2[C@@H](c2cc(OC)ccc2OC)N(C)C3=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1c2c(n[nH]c2C(=O)N1C)[*:1]
C=CCc1cc(C[NH+]2CCC(c3nc(C)no3)CC2)cc(OC)c1O Cc1noc(n1)[*:1] C=CCc1cc(cc(OC)c1O)C[NH+]1CCC(CC1)[*:1]
C=CCc1cc(C[NH+]2CCC(c3nc(C)no3)CC2)cc(OC)c1O C=CC[*:1] COc1cc(cc(c1O)[*:1])C[NH+]1CCC(CC1)c1nc(C)no1
CCn1c(C[NH+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)nc2ccccc21 C1CCN(C1)[*:1] CCn1c(C[NH+]2CCc3nc([nH]c(=O)c3C2)[*:1])nc2ccccc21
Cc1ccc2[nH+]c3c(c(C(=O)[O-])c2c1)C[C@H](C)CC3 O=C([O-])[*:1] Cc1ccc2[nH+]c3CC[C@@H](C)Cc3c(c2c1)[*:1]
O=[N+]([O-])c1cc(OC(F)(F)F)ccc1I O=[N+]([O-])[*:1] FC(F)(F)Oc1ccc(I)c(c1)[*:1]
O=[N+]([O-])c1cc(OC(F)(F)F)ccc1I FC(F)(F)O[*:1] O=[N+]([O-])c1cc(ccc1I)[*:1]
O=[N+]([O-])c1cc(OC(F)(F)F)ccc1I FC(F)(F)[*:1] O=[N+]([O-])c1cc(ccc1I)O[*:1]
Cc1ccc(OCCNC(=O)/C=C/c2c(C)nn(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1/C=C/C(=O)NCCO[*:1]
CC[NH+](CC1CC1)Cn1nc(-c2ccccc2F)ccc1=O Fc1ccccc1[*:1] CC[NH+](CC1CC1)Cn1nc(ccc1=O)[*:1]
CC[NH+](CC1CC1)Cn1nc(-c2ccccc2F)ccc1=O C1CC1[*:1] CC[NH+](Cn1nc(ccc1=O)-c1ccccc1F)C[*:1]
CC[NH+](CC1CC1)Cn1nc(-c2ccccc2F)ccc1=O C1CC1C[*:1] CC[NH+](Cn1nc(ccc1=O)-c1ccccc1F)[*:1]
CC(C)CN1CC2(CCN(c3cc(C(=O)NC4CC4)ccn3)CC2)CC1=O C1CC1[*:1] CC(C)CN1CC2(CCN(CC2)c2cc(ccn2)C(=O)N[*:1])CC1=O
CC(C)CN1CC2(CCN(c3cc(C(=O)NC4CC4)ccn3)CC2)CC1=O CC(C)C[*:1] O=C(NC1CC1)c1ccnc(c1)N1CCC2(CC1)CC(=O)N(C2)[*:1]
CC(C)CN1CC2(CCN(c3cc(C(=O)NC4CC4)ccn3)CC2)CC1=O O=C(NC1CC1)[*:1] CC(C)CN1CC2(CCN(CC2)c2cc(ccn2)[*:1])CC1=O
CC(C)CN1CC2(CCN(c3cc(C(=O)NC4CC4)ccn3)CC2)CC1=O CC(C)[*:1] O=C(NC1CC1)c1ccnc(c1)N1CCC2(CC1)CC(=O)N(C2)C[*:1]
COc1cccc(N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] COc1cccc(c1)N[C@@H]1CCC[C@H](C1)[*:1]
CN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O c1cc2OCOc2cc1C[*:1] CN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(C[C@@H]32)[*:1])C1=O
CN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O c1cc2OCOc2cc1[*:1] CN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(C[C@@H]32)C[*:1])C1=O
Cc1cc2occ(CC(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)c2cc1C(C)C CC(C)[*:1] Cc1cc2occ(CC(=O)NC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1[*:1]
Cc1cc2occ(CC(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)c2cc1C(C)C CC(C)(C)[*:1] Cc1cc2occ(CC(=O)NC3CCN(CC3)C(=O)O[*:1])c2cc1C(C)C
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)C(=O)c1ccc(nc1)C(F)(F)F)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 COC(=O)C(C)(C)[*:1] O=C(c1ccc(nc1)C(F)(F)F)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 FC(F)(F)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)c1ccc(nc1)[*:1]
C#CCCNC(=O)c1c(F)cccc1F C#CCC[*:1] O=C(N[*:1])c1c(F)cccc1F
C#CCCNC(=O)c1c(F)cccc1F C#CC[*:1] O=C(NC[*:1])c1c(F)cccc1F
CC1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)CC1 Clc1ccc(cc1)[*:1] CC1CCN(CC1)c1nc(N)c(c(n1)N[*:1])[N+](=O)[O-]
CC1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)CC1 O=[N+]([O-])[*:1] CC1CCN(CC1)c1nc(N)c(c(n1)Nc1ccc(Cl)cc1)[*:1]
CC1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)CC1 Clc1ccc(cc1)N[*:1] CC1CCN(CC1)c1nc(N)c(c(n1)[*:1])[N+](=O)[O-]
CC1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)CC1 CC1CCN(CC1)[*:1] Nc1nc(nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-])[*:1]
Cc1cc(NC(=O)c2cc(=O)oc3cc(OC(C)C)ccc23)nn1C Cc1cc(nn1C)[*:1] CC(C)Oc1ccc2c(cc(=O)oc2c1)C(=O)N[*:1]
Cc1cc(NC(=O)c2cc(=O)oc3cc(OC(C)C)ccc23)nn1C CC(C)[*:1] Cc1cc(nn1C)NC(=O)c1cc(=O)oc2cc(ccc12)O[*:1]
Cc1cc(NC(=O)c2cc(=O)oc3cc(OC(C)C)ccc23)nn1C CC(C)O[*:1] Cc1cc(nn1C)NC(=O)c1cc(=O)oc2cc(ccc12)[*:1]
O=C(NC1CCCCC1)N1CCN(C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 C1CCC(CC1)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1ccc(cc1)N1CCCOC1=O
O=C(NC1CCCCC1)N1CCN(C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 O=C1OCCCN1[*:1] O=C(NC1CCCCC1)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC(C)=C[C@@H](N)C(C)(C)[NH+](C)C CC(C)=C[*:1] C[NH+](C)C(C)(C)[C@H](N)[*:1]
COC(=O)Cc1ccc(CN2CCO[C@H](C(N)=O)C2)s1 NC(=O)[*:1] COC(=O)Cc1ccc(CN2CCO[C@H](C2)[*:1])s1
COC(=O)Cc1ccc(CN2CCO[C@H](C(N)=O)C2)s1 COC(=O)[*:1] NC(=O)[C@@H]1CN(CCO1)Cc1ccc(C[*:1])s1
COC(=O)Cc1ccc(CN2CCO[C@H](C(N)=O)C2)s1 COC(=O)C[*:1] NC(=O)[C@@H]1CN(CCO1)Cc1ccc(s1)[*:1]
CC(C)[C@@H](C(=O)NCCc1cccc(F)c1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O Fc1cccc(c1)[*:1] CC(C)[C@@H](C(=O)NCC[*:1])N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O
CC(C)[C@@H](C(=O)NCCc1cccc(F)c1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O Fc1cccc(c1)CC[*:1] CC(C)[C@@H](C(=O)N[*:1])N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O
CC(C)[C@@H](C(=O)NCCc1cccc(F)c1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O CC(C)[*:1] C[C@@]12C(=O)N(C(=O)N1CCc1c2[nH]c2ccccc12)[C@H](C(=O)NCCc1cccc(F)c1)[*:1]
CC(C)[C@@H](C(=O)NCCc1cccc(F)c1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O Fc1cccc(c1)C[*:1] CC(C)[C@@H](C(=O)NC[*:1])N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O
CN(Cc1ccsc1)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 c1cc(cs1)C[*:1] CN(C(=O)CSc1nnc(o1)-c1ccc(F)cc1)[*:1]
CN(Cc1ccsc1)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 c1cc(cs1)[*:1] CN(C[*:1])C(=O)CSc1nnc(o1)-c1ccc(F)cc1
CN(Cc1ccsc1)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] CN(Cc1ccsc1)C(=O)CSc1nnc(o1)[*:1]
C=CCOc1ccc(/C=c2/sc3ncnn3c2=O)cc1 C=CC[*:1] O=c1/c(=C\c2ccc(cc2)O[*:1])sc2ncnn12
C=CCOc1ccc(/C=c2/sc3ncnn3c2=O)cc1 C=CCO[*:1] O=c1/c(=C\c2ccc(cc2)[*:1])sc2ncnn12
C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)Cc3cccc(Cl)c3Cl)nc12 Clc1cccc(C[*:1])c1Cl C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)[*:1])nc12
C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)Cc3cccc(Cl)c3Cl)nc12 Clc1cccc(c1Cl)[*:1] C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)C[*:1])nc12
C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)Cc3cccc(Cl)c3Cl)nc12 C=CC[*:1] CN(Cc1cccc(Cl)c1Cl)Cn1nc2n(c(=O)c3ccccc3n2c1=S)[*:1]
CCc1nn(C)cc1CNC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1nn(C)cc1CNC(=O)N[C@@H]1C[C@H]1[*:1]
O=C([O-])[C@H]1CC(=O)N(Cc2cccc(Cl)c2)C1 O=C([O-])[*:1] O=C1C[C@@H](CN1Cc1cccc(Cl)c1)[*:1]
CCn1nccc1CNc1ccccc1-n1cccn1 c1cnn(c1)[*:1] CCn1nccc1CNc1ccccc1[*:1]
CCCCNC(=O)N1CCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2C1 CCC[*:1] O=C(NC[*:1])N1CCc2ccc(cc2C1)S(=O)(=O)NC[C@@H]1CCCO1
CCCCNC(=O)N1CCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2C1 CCCC[*:1] O=C(N[*:1])N1CCc2ccc(cc2C1)S(=O)(=O)NC[C@@H]1CCCO1
CC[C@@H](C)NC(=O)CSCc1noc(-c2ccc(C)cc2)n1 CC[C@@H](C)[*:1] Cc1ccc(cc1)-c1nc(CSCC(=O)N[*:1])no1
CC[C@@H](C)NC(=O)CSCc1noc(-c2ccc(C)cc2)n1 CC[C@@H](C)NC(=O)[*:1] Cc1ccc(cc1)-c1nc(CSC[*:1])no1
CC[C@@H](C)NC(=O)CSCc1noc(-c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)CSCc1noc(n1)[*:1]
O=C(CSc1nnc2nc([O-])cc(-c3ccccc3)n12)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(CSc1nnc2nc([O-])cc(n12)[*:1])Nc1ccc(Cl)cc1
O=C(CSc1nnc2nc([O-])cc(-c3ccccc3)n12)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc2nc([O-])cc(-c3ccccc3)n12)N[*:1]
CO/N=C\c1ccc(C(=O)OCc2ncc(Cl)n2C)cc1 CON=C[*:1] Cn1c(Cl)cnc1COC(=O)c1ccc(cc1)[*:1]
CO/N=C\c1ccc(C(=O)OCc2ncc(Cl)n2C)cc1 Cn1c(Cl)cnc1[*:1] CO/N=C\c1ccc(cc1)C(=O)OC[*:1]
C[C@@H]1CCC[C@H](CCNC(=O)C(=O)Nc2cccc([S@](C)=O)c2)C1 C[C@@H]1CCC[C@@H](C1)C[*:1] C[S@](=O)c1cccc(c1)NC(=O)C(=O)NC[*:1]
C[C@@H]1CCC[C@H](CCNC(=O)C(=O)Nc2cccc([S@](C)=O)c2)C1 C[C@@H]1CCC[C@H](C1)[*:1] C[S@](=O)c1cccc(c1)NC(=O)C(=O)NCC[*:1]
C[C@@H]1CCC[C@H](CCNC(=O)C(=O)Nc2cccc([S@](C)=O)c2)C1 C[S@](=O)[*:1] C[C@@H]1CCC[C@H](CCNC(=O)C(=O)Nc2cccc(c2)[*:1])C1
CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc2c(c1)OCCO2 CC(C)[*:1] CCN(CC(=O)N[*:1])S(=O)(=O)c1ccc2OCCOc2c1
CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc2c(c1)OCCO2 CC(C)NC(=O)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc2OCCOc2c1
CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc2c(c1)OCCO2 CC(C)NC(=O)C[*:1] CCN(S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
CSCC[C@H](C)NC(=O)C1C[C@H](C)O[C@@H](C)C1 CSCC[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N[C@@H](C)[*:1]
CSCC[C@H](C)NC(=O)C1C[C@H](C)O[C@@H](C)C1 CSC[*:1] C[C@@H](C[*:1])NC(=O)C1C[C@H](C)O[C@@H](C)C1
Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)[*:1])no1
Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)no1 Cc1cc(C[*:1])no1 C[C@H](NC(=O)[C@@H](C)S(=O)(=O)[*:1])c1ccc(F)cc1
Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)no1 Cc1cc(no1)[*:1] C[C@H](NC(=O)[C@@H](C)S(=O)(=O)C[*:1])c1ccc(F)cc1
CC(C)NC(=O)Nc1cccc(C(=O)NCCNC(=O)C2CC2)c1 O=C(NC[*:1])C1CC1 CC(C)NC(=O)Nc1cccc(c1)C(=O)NC[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)NCCNC(=O)C2CC2)c1 CC(C)NC(=O)N[*:1] O=C(NCCNC(=O)C1CC1)c1cccc(c1)[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)NCCNC(=O)C2CC2)c1 C1CC1[*:1] CC(C)NC(=O)Nc1cccc(c1)C(=O)NCCNC(=O)[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)NCCNC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 CC(C)NC(=O)Nc1cccc(c1)C(=O)NCC[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)NCCNC(=O)C2CC2)c1 O=C(NCC[*:1])C1CC1 CC(C)NC(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)NCCNC(=O)C2CC2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)C(=O)NCCNC(=O)C1CC1)N[*:1]
COCc1cc(C)nc(SCC(=O)Nc2cccc(F)c2)c1C#N Fc1cccc(c1)[*:1] COCc1cc(C)nc(SCC(=O)N[*:1])c1C#N
COCc1cc(C)nc(SCC(=O)Nc2cccc(F)c2)c1C#N COC[*:1] Cc1cc(c(C#N)c(n1)SCC(=O)Nc1cccc(F)c1)[*:1]
CCOc1cccc(NC(=O)NCc2ccc(CS(C)(=O)=O)cc2)c1 CS(=O)(=O)C[*:1] CCOc1cccc(c1)NC(=O)NCc1ccc(cc1)[*:1]
CCOc1cccc(NC(=O)NCc2ccc(CS(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] CCOc1cccc(c1)NC(=O)NCc1ccc(cc1)C[*:1]
CCOc1cccc(NC(=O)NCc2ccc(CS(C)(=O)=O)cc2)c1 CCO[*:1] CS(=O)(=O)Cc1ccc(cc1)CNC(=O)Nc1cccc(c1)[*:1]
CC(C)NC(=O)CSc1nnc(-c2ccccc2Br)n1N CC(C)NC(=O)[*:1] Nn1c(nnc1-c1ccccc1Br)SC[*:1]
CC(C)NC(=O)CSc1nnc(-c2ccccc2Br)n1N CC(C)NC(=O)C[*:1] Nn1c(nnc1-c1ccccc1Br)S[*:1]
CC(C)NC(=O)CSc1nnc(-c2ccccc2Br)n1N CC(C)[*:1] Nn1c(nnc1-c1ccccc1Br)SCC(=O)N[*:1]
CC(C)NC(=O)CSc1nnc(-c2ccccc2Br)n1N Brc1ccccc1[*:1] CC(C)NC(=O)CSc1nnc(n1N)[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2cccnc2)CC1 c1cncc(c1)[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC1)C[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2cccnc2)CC1 c1cncc(c1)C[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC1)[*:1]
Cn1cc(C(=O)Nc2cccc(OS(=O)(=O)CCC(C)(C)C)c2)cn1 CC(C)(C)CC[*:1] Cn1cc(cn1)C(=O)Nc1cccc(c1)OS(=O)(=O)[*:1]
Cn1cc(C(=O)Nc2cccc(OS(=O)(=O)CCC(C)(C)C)c2)cn1 CC(C)(C)C[*:1] Cn1cc(cn1)C(=O)Nc1cccc(c1)OS(=O)(=O)C[*:1]
Cn1cc(C(=O)Nc2cccc(OS(=O)(=O)CCC(C)(C)C)c2)cn1 Cn1cc(cn1)[*:1] CC(C)(C)CCS(=O)(=O)Oc1cccc(c1)NC(=O)[*:1]
Cn1cc(C(=O)Nc2cccc(OS(=O)(=O)CCC(C)(C)C)c2)cn1 CC(C)(C)[*:1] Cn1cc(cn1)C(=O)Nc1cccc(c1)OS(=O)(=O)CC[*:1]
CCOc1ccc(NC(=O)C[NH+]2CC(c3nc(-c4cnccn4)no3)C2)cc1 CCO[*:1] O=C(C[NH+]1CC(C1)c1nc(no1)-c1cnccn1)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)C[NH+]2CC(c3nc(-c4cnccn4)no3)C2)cc1 c1cnc(cn1)[*:1] CCOc1ccc(cc1)NC(=O)C[NH+]1CC(C1)c1nc(no1)[*:1]
CCOc1ccc(NC(=O)C[NH+]2CC(c3nc(-c4cnccn4)no3)C2)cc1 CCOc1ccc(cc1)[*:1] O=C(C[NH+]1CC(C1)c1nc(no1)-c1cnccn1)N[*:1]
C[C@H](O)c1ccc(-c2ccc(Br)c([N+](=O)[O-])c2)o1 C[C@H](O)[*:1] O=[N+]([O-])c1cc(ccc1Br)-c1ccc(o1)[*:1]
C[C@H](O)c1ccc(-c2ccc(Br)c([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] C[C@H](O)c1ccc(o1)-c1ccc(Br)c(c1)[*:1]
Cc1ccc(-n2nnc(C(=O)N3CCC[NH+](C(C)C)CC3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)N1CCC[NH+](CC1)C(C)C
Cc1ccc(-n2nnc(C(=O)N3CCC[NH+](C(C)C)CC3)c2C)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N2CCC[NH+](CC2)[*:1])c1C
CN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 C1CCC(CC1)[*:1] CN(C[*:1])C(=O)c1ccc(o1)S(=O)(=O)N1CCCC1
CN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 O=S(=O)(N1CCCC1)[*:1] CN(CC1CCCCC1)C(=O)c1ccc(o1)[*:1]
CN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 C1CCC(CC1)C[*:1] CN(C(=O)c1ccc(o1)S(=O)(=O)N1CCCC1)[*:1]
C[NH+]1CCC(Cc2noc(CCc3cccc(F)c3)n2)CC1 Fc1cccc(c1)[*:1] C[NH+]1CCC(CC1)Cc1noc(CC[*:1])n1
Cc1cc(CN2CC[NH2+]C3(CCCCC3)C2)c(C)n1CCN1CCOCC1 C1CN(CCO1)[*:1] Cc1cc(CN2CC[NH2+]C3(CCCCC3)C2)c(C)n1CC[*:1]
Cc1cc(CN2CC[NH2+]C3(CCCCC3)C2)c(C)n1CCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1cc(CN2CC[NH2+]C3(CCCCC3)C2)c(C)n1C[*:1]
Cc1cc(CN2CC[NH2+]C3(CCCCC3)C2)c(C)n1CCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1cc(CN2CC[NH2+]C3(CCCCC3)C2)c(C)n1[*:1]
O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 O=C(c1ccco1)[*:1] O=C1[C@H]2[C@@H](C(=O)N1c1cccc(c1)[N+](=O)[O-])[C@H](N1C=Cc3ccccc3[C@@H]21)[*:1]
O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 O=[N+]([O-])c1cccc(c1)[*:1] O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)[*:1]
O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 O=[N+]([O-])[*:1] O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1cccc(c1)[*:1]
O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 c1coc(c1)[*:1] O=C1[C@H]2[C@@H](C(=O)N1c1cccc(c1)[N+](=O)[O-])[C@@H](C(=O)[*:1])N1C=Cc3ccccc3[C@@H]21
Cc1cccc(N2CCN(C(=O)C3C[C@@H](C)O[C@H](C)C3)CC2)c1C Cc1cccc(c1C)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCN(CC1)[*:1]
C=CC[NH2+]CC(=O)N1CCC[C@@H](C)[C@@H]1C C=CC[*:1] C[C@H]1[C@H](C)CCCN1C(=O)C[NH2+][*:1]
CC(C)C[C@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1C(=O)N[C@@H](C)c2nc3ccccc3c(=O)n21 CC(C)[*:1] C[C@@H]1NC(=O)[C@@H](C[C@]2(O)c3ccccc3N3C(=O)[C@@H](C[*:1])N[C@@H]32)n2c1nc1ccccc1c2=O
CC(C)C[C@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1C(=O)N[C@@H](C)c2nc3ccccc3c(=O)n21 CC(C)C[*:1] C[C@@H]1NC(=O)[C@@H](C[C@]2(O)c3ccccc3N3C(=O)[C@H](N[C@@H]32)[*:1])n2c1nc1ccccc1c2=O
Cc1cccc(C)c1CCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F Cc1cccc(C)c1[*:1] NC(=O)c1ccc(NC(=O)C(=O)NCC[*:1])c(F)c1
Cc1cccc(C)c1CCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F NC(=O)[*:1] Cc1cccc(C)c1CCNC(=O)C(=O)Nc1ccc(cc1F)[*:1]
CCCCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 CCC[*:1] O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)C[*:1]
CCCCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 CCCC[*:1] O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)[*:1]
CCCCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCCCc1ccc(cc1)NC(=O)C(=O)NN=C[*:1]
COc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OCc2ccc(Cl)cc2)c(c1)[*:1]
C[C@@H](/[NH+]=C(/N)NCc1ccc(Cl)cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](/[NH+]=C(/N)NCc1ccc(Cl)cc1)[*:1]
Cc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H]3c3ccc[nH]3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@@H]1CCN(C1=O)[*:1])N1CCC[C@@H]1c1ccc[nH]1
Cc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H]3c3ccc[nH]3)C2=O)cc1 c1c[nH]c(c1)[*:1] Cc1ccc(cc1)N1CC[C@@H](NC(=O)N2CCC[C@H]2[*:1])C1=O
CN(Cc1cccc(-n2cccn2)c1)C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 c1ccc(cc1)[*:1] CN(Cc1cccc(c1)-n1cccn1)C(=O)c1cc(=O)n([nH]1)[*:1]
CN(Cc1cccc(-n2cccn2)c1)C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 c1cnn(c1)[*:1] CN(Cc1cccc(c1)[*:1])C(=O)c1cc(=O)n([nH]1)-c1ccccc1
CC[C@H](NC(=O)C1CCCCC1)c1c(C)nn(C)c1C C1CCC(CC1)[*:1] CC[C@H](NC(=O)[*:1])c1c(C)nn(C)c1C
C[C@@H](O)[C@@H](NC(=O)Nc1ccc(F)cc1F)C(=O)[O-] O=C([O-])[*:1] C[C@@H](O)[C@@H](NC(=O)Nc1ccc(F)cc1F)[*:1]
C[C@@H](O)[C@@H](NC(=O)Nc1ccc(F)cc1F)C(=O)[O-] C[C@@H](O)[*:1] O=C(Nc1ccc(F)cc1F)N[C@@H](C(=O)[O-])[*:1]
C[C@@H](Cc1cccs1)C(=O)N1CCN(c2[nH+]ncc3ccccc23)CC1 C[C@@H](Cc1cccs1)[*:1] O=C(N1CCN(CC1)c1[nH+]ncc2ccccc12)[*:1]
C[C@@H](Cc1cccs1)C(=O)N1CCN(c2[nH+]ncc3ccccc23)CC1 c1csc(c1)[*:1] C[C@@H](C[*:1])C(=O)N1CCN(CC1)c1[nH+]ncc2ccccc12
C[C@@H](Cc1cccs1)C(=O)N1CCN(c2[nH+]ncc3ccccc23)CC1 c1csc(c1)C[*:1] C[C@@H](C(=O)N1CCN(CC1)c1[nH+]ncc2ccccc12)[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc2c1CN(c1nccs1)C2 N#Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1cccc2CN(Cc21)c1nccs1
C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc2c1CN(c1nccs1)C2 c1csc(n1)[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc2CN(Cc21)[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc2c1CN(c1nccs1)C2 N#Cc1cccc(c1)O[*:1] C[C@H](C(=O)Nc1cccc2CN(Cc21)c1nccs1)[*:1]
O=C(NC1CCCCC1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 O=[N+]([O-])[*:1] O=C(NC1CCCCC1)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccc(cc1)[*:1]
O=C(NC1CCCCC1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NC1CCCCC1)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
O=C(NC1CCCCC1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 O=C(NC1CCCCC1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1cc(n2nc(cc2n1)[*:1])C(F)(F)F
O=C(NC1CCCCC1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 FC(F)(F)[*:1] O=C(NC1CCCCC1)c1cc2nc(cc(n2n1)[*:1])-c1ccc(cc1)[N+](=O)[O-]
O=C(NC1CCCCC1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 C1CCC(CC1)[*:1] O=C(N[*:1])c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccc(cc1)[N+](=O)[O-]
CC(C)(C)C1=C[C@@H]([C@H]2CC(=O)NC[C@H]3N=C4C=CC=CN4[C@H]23)N=N1 CC(C)(C)[*:1] O=C1C[C@H]([C@@H]2C=C(N=N2)[*:1])[C@@H]2[C@@H](CN1)N=C1C=CC=CN12
CC[C@H](O)c1ccn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CC[C@H](O)c1ccn(c1)C[*:1]
CC[C@H](O)c1ccn(C[C@H]2CCCO2)c1 CC[C@H](O)[*:1] c1cn(cc1[*:1])C[C@H]1CCCO1
COCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COCc1c(nnn1[*:1])C(=O)Nc1ccc(F)cc1
COCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(F)cc2)c1[*:1]
COCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(OC)cc1 Fc1ccc(cc1)[*:1] COCc1c(nnn1-c1ccc(cc1)OC)C(=O)N[*:1]
CN(C)C(=O)c1ccc(CNC(=O)N[C@H]2CCc3c(O)cccc32)cc1 CN(C)C(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@H]1CCc2c(O)cccc21
C[C@@H](CN(C)c1nc(-c2ccncc2)nc2c1cnn2C)N1CCOCC1 c1cc(ccn1)[*:1] C[C@@H](CN(C)c1nc(nc2c1cnn2C)[*:1])N1CCOCC1
C[C@@H](CN(C)c1nc(-c2ccncc2)nc2c1cnn2C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CN(C)c1nc(nc2c1cnn2C)-c1ccncc1)[*:1]
Cn1ccnc(Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1=O Cn1ccnc(c1=O)[*:1] c1cc(ccc1N[*:1])OCc1noc(n1)C1CC1
Cn1ccnc(Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1=O C1CC1c1nc(no1)[*:1] Cn1ccnc(Nc2ccc(cc2)OC[*:1])c1=O
Cn1ccnc(Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1=O C1CC1[*:1] Cn1ccnc(Nc2ccc(cc2)OCc2noc(n2)[*:1])c1=O
COc1cc(C2CC(C(=O)[O-])C2)ccc1Br O=C([O-])[*:1] COc1cc(ccc1Br)C1CC(C1)[*:1]
O=C(CCc1ccc2c(c1)OCO2)NNC(=O)c1ccccc1O Oc1ccccc1[*:1] O=C(CCc1ccc2OCOc2c1)NNC(=O)[*:1]
COc1cc(/C=N/c2cccc(F)c2)ccc1OCc1cccc(C(=O)[O-])c1 O=C([O-])c1cccc(c1)[*:1] COc1cc(/C=N/c2cccc(F)c2)ccc1OC[*:1]
COc1cc(/C=N/c2cccc(F)c2)ccc1OCc1cccc(C(=O)[O-])c1 Fc1cccc(c1)[*:1] COc1cc(C=N[*:1])ccc1OCc1cccc(c1)C(=O)[O-]
COc1cc(/C=N/c2cccc(F)c2)ccc1OCc1cccc(C(=O)[O-])c1 Fc1cccc(c1)N=C[*:1] COc1cc(ccc1OCc1cccc(c1)C(=O)[O-])[*:1]
COc1cc(/C=N/c2cccc(F)c2)ccc1OCc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] COc1cc(/C=N/c2cccc(F)c2)ccc1OCc1cccc(c1)[*:1]
Cc1c(C(=O)Nc2cnn(CC(C)C)c2)oc2c1C(=O)CC(C)(C)C2 CC(C)C[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)Nc1cnn(c1)[*:1]
Cc1c(C(=O)Nc2cnn(CC(C)C)c2)oc2c1C(=O)CC(C)(C)C2 CC(C)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)Nc1cnn(c1)C[*:1]
Cc1cc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)no1 C1CO[C@H](C1)C[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)O[*:1]
Cc1cc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)no1 C1CO[C@H](C1)CO[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)[*:1]
Cc1cc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)no1 C1CO[C@H](C1)[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)OC[*:1]
Cc1cc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)no1 Cc1cc(no1)[*:1] O=C(N1CCC(CC1)OC[C@H]1CCCO1)[*:1]
COC(=O)CCN1CCN(C(=O)NCCc2ccsc2)[C@H](C)C1 COC(=O)C[*:1] C[C@@H]1CN(CCN1C(=O)NCCc1ccsc1)C[*:1]
COC(=O)CCN1CCN(C(=O)NCCc2ccsc2)[C@H](C)C1 c1cc(cs1)C[*:1] COC(=O)CCN1CCN(C(=O)NC[*:1])[C@H](C)C1
COC(=O)CCN1CCN(C(=O)NCCc2ccsc2)[C@H](C)C1 c1cc(cs1)[*:1] COC(=O)CCN1CCN(C(=O)NCC[*:1])[C@H](C)C1
COC(=O)CCN1CCN(C(=O)NCCc2ccsc2)[C@H](C)C1 c1cc(cs1)CC[*:1] COC(=O)CCN1CCN(C(=O)N[*:1])[C@H](C)C1
COC(=O)CCN1CCN(C(=O)NCCc2ccsc2)[C@H](C)C1 COC(=O)CC[*:1] C[C@@H]1CN(CCN1C(=O)NCCc1ccsc1)[*:1]
COC(=O)CCN1CCN(C(=O)NCCc2ccsc2)[C@H](C)C1 COC(=O)[*:1] C[C@@H]1CN(CCN1C(=O)NCCc1ccsc1)CC[*:1]
CN(C)C(=O)[C@H](NS(=O)(=O)NCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](NS(=O)(=O)NCc1ccccc1)[*:1]
CN(C)C(=O)[C@H](NS(=O)(=O)NCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](NS(=O)(=O)NC[*:1])c1ccccc1
CN(C)C(=O)[C@H](NS(=O)(=O)NCc1ccccc1)c1ccccc1 CN(C)C(=O)[*:1] O=S(=O)(NCc1ccccc1)N[C@H](c1ccccc1)[*:1]
CN(C)C(=O)[C@H](NS(=O)(=O)NCc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] CN(C)C(=O)[C@H](NS(=O)(=O)N[*:1])c1ccccc1
CCOc1cc(CNC(=O)NCc2cc(Br)ccc2OC)ccn1 CCO[*:1] COc1ccc(Br)cc1CNC(=O)NCc1ccnc(c1)[*:1]
C=CCOC(=O)N1CCC2(CC1)CNC(=O)C2 C=CC[*:1] O=C1CC2(CCN(CC2)C(=O)O[*:1])CN1
O=C(CCCc1ccccc1)NNC(=O)c1n[nH]c([O-])n1 c1ccc(cc1)[*:1] O=C(CCC[*:1])NNC(=O)c1n[nH]c([O-])n1
O=C(CCCc1ccccc1)NNC(=O)c1n[nH]c([O-])n1 c1ccc(cc1)C[*:1] O=C(CC[*:1])NNC(=O)c1n[nH]c([O-])n1
O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 O=C(NC1CCCC1)[*:1] Clc1ccc(cc1)[C@H](N1CC[NH+](CC1)C1CCCCC1)[*:1]
O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 C1CCC(C1)[*:1] O=C(N[*:1])[C@H](c1ccc(Cl)cc1)N1CC[NH+](CC1)C1CCCCC1
O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 Clc1ccc(cc1)[*:1] O=C(NC1CCCC1)[C@H](N1CC[NH+](CC1)C1CCCCC1)[*:1]
NC(=O)NC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 NC(=O)N[*:1] c1ccc(COc2ccc(cc2)C[NH+]2CCC(CC2)[*:1])nc1
NC(=O)NC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 c1ccc(CO[*:1])nc1 NC(=O)NC1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
NC(=O)NC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 c1ccc(C[*:1])nc1 NC(=O)NC1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
NC(=O)NC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 c1ccc(nc1)[*:1] NC(=O)NC1CC[NH+](CC1)Cc1ccc(cc1)OC[*:1]
COc1ccc(NC(=O)c2ccc(C)[nH]c2=O)cc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1ccc(cc1[*:1])NC(=O)c1ccc(C)[nH]c1=O
COc1ccc(NC(=O)c2ccc(C)[nH]c2=O)cc1OCC(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1OC[*:1])NC(=O)c1ccc(C)[nH]c1=O
COc1ccc(NC(=O)c2ccc(C)[nH]c2=O)cc1OCC(F)(F)F Cc1ccc(c(=O)[nH]1)[*:1] COc1ccc(cc1OCC(F)(F)F)NC(=O)[*:1]
COc1ccc(NC(=O)c2ccc(C)[nH]c2=O)cc1OCC(F)(F)F FC(F)(F)C[*:1] COc1ccc(cc1O[*:1])NC(=O)c1ccc(C)[nH]c1=O
COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)Cn3nc(C)ccc3=O)CC1)O2 Cc1ccc(=O)n(n1)[*:1] COc1ccc2OC3(CCN(CC3)C(=O)C[*:1])CNC(=O)c2c1
COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)Cn3nc(C)ccc3=O)CC1)O2 Cc1ccc(=O)n(C[*:1])n1 COc1ccc2OC3(CCN(CC3)C(=O)[*:1])CNC(=O)c2c1
Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1C[*:1]
Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1C[*:1] Cc1ccc(cc1)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1Cc1ccc2OCOc2c1)[*:1]
Cc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)CCC3)cc1 Cc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])Nc1ccc2CCCc2c1
C[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])c1ccc2OCOc2c1
COc1ccc(CN2CC[NH+]([C@H](C)C(=O)N3CCc4ccccc43)CC2)cc1OC COc1ccc(cc1OC)[*:1] C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(CC1)C[*:1]
CC(C)[C@H](C)S[C@@H](C)C(=O)NC(=O)Nc1ccccc1F CC(C)[*:1] C[C@H](S[C@@H](C)[*:1])C(=O)NC(=O)Nc1ccccc1F
CC(C)[C@H](C)S[C@@H](C)C(=O)NC(=O)Nc1ccccc1F Fc1ccccc1[*:1] CC(C)[C@H](C)S[C@@H](C)C(=O)NC(=O)N[*:1]
O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC=CCC1 O=[N+]([O-])[*:1] O=C(NCCNc1ccc(cc1)[*:1])N[C@@H]1CC=CCC1
O=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cc(c(Cl)c(c1)[*:1])[N+](=O)[O-]
O=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])c1cc(c(Cl)c(c1)[N+](=O)[O-])[N+](=O)[O-]
Cc1ncccc1NC(=O)C(=O)NCc1cn2cc(Cl)ccc2n1 Cc1ncccc1[*:1] O=C(NCc1cn2cc(Cl)ccc2n1)C(=O)N[*:1]
COc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccs3)CC2=O)cc1 c1csc(c1)[*:1] COc1ccc(cc1)N1C[C@@H](CNS(=O)(=O)[*:1])CC1=O
COc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccs3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C1C[C@H](CNS(=O)(=O)c2cccs2)CN1[*:1]
Cc1ccc(Cn2nc(C)c3c(C(=O)[O-])cc(-c4ccccc4)nc32)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C[*:1])c2nc(cc(C(=O)[O-])c12)-c1ccccc1
Cc1ccc(Cn2nc(C)c3c(C(=O)[O-])cc(-c4ccccc4)nc32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1nc(C)c2c(cc(nc21)[*:1])C(=O)[O-]
Cc1ccc(Cn2nc(C)c3c(C(=O)[O-])cc(-c4ccccc4)nc32)cc1 O=C([O-])[*:1] Cc1ccc(cc1)Cn1nc(C)c2c(cc(nc21)-c1ccccc1)[*:1]
Cc1ccc(Cn2nc(C)c3c(C(=O)[O-])cc(-c4ccccc4)nc32)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(c2nc(cc(C(=O)[O-])c12)-c1ccccc1)[*:1]
NNc1ncc(Br)cc1C(F)(F)F FC(F)(F)[*:1] NNc1ncc(Br)cc1[*:1]
CCc1nn(C)c(OC)c1CNC(=O)[C@H]1C[C@H]1c1ccc(C)s1 Cc1ccc(s1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)[C@H]1C[C@@H]1[*:1]
CC(C)[C@@H](NC(=O)NCc1ccccc1CN1CCCC1=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)NCc1ccccc1CN1CCCC1=O)[*:1]
CC(C)[C@@H](NC(=O)NCc1ccccc1CN1CCCC1=O)c1ccccc1 O=C1CCCN1C[*:1] CC(C)[C@@H](NC(=O)NCc1ccccc1[*:1])c1ccccc1
CC(C)[C@@H](NC(=O)NCc1ccccc1CN1CCCC1=O)c1ccccc1 CC(C)[*:1] O=C(NCc1ccccc1CN1CCCC1=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)NCc1ccccc1CN1CCCC1=O)c1ccccc1 O=C1CCCN1[*:1] CC(C)[C@@H](NC(=O)NCc1ccccc1C[*:1])c1ccccc1
N#CCCc1nc2ccccc2[nH]1 N#CCC[*:1] c1ccc2[nH]c(nc2c1)[*:1]
N#CCCc1nc2ccccc2[nH]1 N#CC[*:1] c1ccc2[nH]c(C[*:1])nc2c1
Cc1cccc(OC[C@H](C)NC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)c1 Cc1cccc(c1)O[*:1] C[C@@H](C[*:1])NC(=O)C=C1CN(C1)C(=O)OC(C)(C)C
Cc1cccc(OC[C@H](C)NC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)c1 CC(C)(C)[*:1] Cc1cccc(c1)OC[C@H](C)NC(=O)C=C1CN(C1)C(=O)O[*:1]
Cc1cccc(OC[C@H](C)NC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)c1 Cc1cccc(c1)[*:1] C[C@@H](CO[*:1])NC(=O)C=C1CN(C1)C(=O)OC(C)(C)C
CCOc1ccc2cc(C#N)c(SCC(=O)N[C@H](C)CC)nc2c1 CC[C@@H](C)NC(=O)[*:1] CCOc1ccc2cc(C#N)c(nc2c1)SC[*:1]
CCOc1ccc2cc(C#N)c(SCC(=O)N[C@H](C)CC)nc2c1 CC[C@@H](C)[*:1] CCOc1ccc2cc(C#N)c(nc2c1)SCC(=O)N[*:1]
CCOc1ccc2cc(C#N)c(SCC(=O)N[C@H](C)CC)nc2c1 CCO[*:1] CC[C@@H](C)NC(=O)CSc1nc2cc(ccc2cc1C#N)[*:1]
CCOc1ccc2cc(C#N)c(SCC(=O)N[C@H](C)CC)nc2c1 CC[C@@H](C)NC(=O)C[*:1] CCOc1ccc2cc(C#N)c(nc2c1)S[*:1]
N#Cc1ccc(CSc2nnnn2-c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)CSc1nnnn1[*:1]
Cc1cc(C)c(C[NH2+]C[C@H]2CCCN(c3ncccn3)C2)cc1C c1cnc(nc1)[*:1] Cc1cc(C)c(cc1C)C[NH2+]C[C@H]1CCCN(C1)[*:1]
O=C(Nc1cccnc1)C(=O)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C(Nc1cccnc1)C(=O)N1CCN(CC1)[*:1]
O=C(Nc1cccnc1)C(=O)N1CCN(Cc2cccs2)CC1 c1cncc(c1)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)Cc1cccs1
O=C(Nc1cccnc1)C(=O)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] O=C(Nc1cccnc1)C(=O)N1CCN(CC1)C[*:1]
C#CCN1CCC(C(=O)N(C)C[C@@H](C)C(=O)NC)CC1 CNC(=O)[C@H](C)[*:1] C#CCN1CCC(CC1)C(=O)N(C)C[*:1]
C#CCN1CCC(C(=O)N(C)C[C@@H](C)C(=O)NC)CC1 C#CC[*:1] CNC(=O)[C@H](C)CN(C)C(=O)C1CCN(CC1)[*:1]
C#CCN1CCC(C(=O)N(C)C[C@@H](C)C(=O)NC)CC1 CNC(=O)[*:1] C#CCN1CCC(CC1)C(=O)N(C)C[C@@H](C)[*:1]
Cc1ccccc1CN(C)C(=O)CS(=O)(=O)c1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] Cc1ccccc1CN(C)C(=O)CS(=O)(=O)[*:1]
Cc1ccccc1CN(C)C(=O)CS(=O)(=O)c1cccc[n+]1[O-] Cc1ccccc1[*:1] CN(C[*:1])C(=O)CS(=O)(=O)c1cccc[n+]1[O-]
CCC[C@@H](Cc1ccc2nccnc2n1)[NH2+]CC CCC[*:1] CC[NH2+][C@H](Cc1ccc2nccnc2n1)[*:1]
CC(C)C(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)C1 c1csc(c1)[*:1] CC(C)C(=O)N1CCC[C@@H](C1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)C(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)C1 Fc1ccc(cc1)[*:1] CC(C)C(=O)N1CCC[C@@H](C1)C(=O)N[C@@H](c1cccs1)[*:1]
CC(C)C(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)C1 CC(C)[*:1] O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)[C@H]1CCCN(C1)C(=O)[*:1]
CSCc1cc(NC(=O)[C@H]2CCO[C@H]2C)ccc1Cl CSC[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)c(c1)[*:1]
O=C([O-])c1nc(Cl)ncc1Br O=C([O-])[*:1] Clc1ncc(Br)c(n1)[*:1]
O=C(NCCc1csc2nc(-c3ccccc3F)nn12)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCc1csc2nc(nn12)-c1ccccc1F)C(=O)NC[*:1]
O=C(NCCc1csc2nc(-c3ccccc3F)nn12)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(NCCc1csc2nc(nn12)-c1ccccc1F)C(=O)N[*:1]
O=C(NCCc1csc2nc(-c3ccccc3F)nn12)C(=O)NCc1ccc(F)cc1 Fc1ccccc1[*:1] O=C(NCCc1csc2nc(nn12)[*:1])C(=O)NCc1ccc(F)cc1
CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 CN(C)[*:1] CC(C)Sc1nc2NC3CCCC(=O)C=3[C@@H](c3ccc(cc3)[*:1])c2c(=O)[nH]1
CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 CN(C)c1ccc(cc1)[*:1] CC(C)Sc1nc2NC3CCCC(=O)C=3[C@@H](c2c(=O)[nH]1)[*:1]
CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 CC(C)[*:1] CN(C)c1ccc(cc1)[C@@H]1C2C(=O)CCCC=2Nc2nc([nH]c(=O)c21)S[*:1]
CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 CC(C)S[*:1] CN(C)c1ccc(cc1)[C@@H]1C2C(=O)CCCC=2Nc2nc([nH]c(=O)c21)[*:1]
C[C@H](CC(F)(F)F)[NH2+]CCc1nc2c(s1)CCCC2 FC(F)(F)C[*:1] C[C@H]([NH2+]CCc1nc2CCCCc2s1)[*:1]
C[C@H](CC(F)(F)F)[NH2+]CCc1nc2c(s1)CCCC2 FC(F)(F)[*:1] C[C@H](C[*:1])[NH2+]CCc1nc2CCCCc2s1
CC(C)CCC(=O)N1CCN(CC(=O)N[C@H]2CCCCNC2=O)CC1 CC(C)CC[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])N[C@H]1CCCCNC1=O
CC(C)CCC(=O)N1CCN(CC(=O)N[C@H]2CCCCNC2=O)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)C(=O)CC[*:1])N[C@H]1CCCCNC1=O
CC(C)CCC(=O)N1CCN(CC(=O)N[C@H]2CCCCNC2=O)CC1 CC(C)C[*:1] O=C(CN1CCN(CC1)C(=O)C[*:1])N[C@H]1CCCCNC1=O
CC(C)c1cc(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)[nH]n1 CC(C)[*:1] O=C(Nc1cc(n[nH]1)[*:1])[C@@H]1CCCN(C1)C(=O)NC1CCCC1
CC(C)c1cc(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)[nH]n1 CC(C)c1cc([nH]n1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)NC1CCCC1
CC(C)c1cc(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)[nH]n1 C1CCC(C1)[*:1] CC(C)c1cc(NC(=O)[C@@H]2CCCN(C2)C(=O)N[*:1])[nH]n1
CC(C)[C@@H]1C[NH2+]CC[C@@H]1c1cccnc1 CC(C)[*:1] c1cncc(c1)[C@H]1CC[NH2+]C[C@H]1[*:1]
Cc1nc(C(C)(C)C)sc1C(=O)NC(C)(C)c1ccccc1 CC(C)(C)[*:1] Cc1nc(sc1C(=O)NC(C)(C)c1ccccc1)[*:1]
Cc1nc(C(C)(C)C)sc1C(=O)NC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NC(C)(C)[*:1])C(C)(C)C
COc1ccc(C(=O)NCC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1 C1CC1[*:1] COc1ccc(cc1)C(=O)NCC[NH2+][C@H]1CCC[C@@H](C1)[*:1]
Cc1nsc(NC(=O)CC2([NH3+])CCC2)c1C(=O)[O-] [NH3+]C1(CCC1)C[*:1] Cc1nsc(NC(=O)[*:1])c1C(=O)[O-]
Cc1nsc(NC(=O)CC2([NH3+])CCC2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NC(=O)CC2([NH3+])CCC2)c1[*:1]
Cc1nsc(NC(=O)CC2([NH3+])CCC2)c1C(=O)[O-] [NH3+]C1(CCC1)[*:1] Cc1nsc(NC(=O)C[*:1])c1C(=O)[O-]
CC[C@@H](O)Cn1c(=O)n(CC)c2ccccc21 CC[C@@H](O)C[*:1] CCn1c(=O)n(c2ccccc21)[*:1]
CC[C@@H](O)Cn1c(=O)n(CC)c2ccccc21 CC[C@@H](O)[*:1] CCn1c(=O)n(C[*:1])c2ccccc21
O=C(N[C@@H]1CC=CCC1)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)S[*:1] O=C(N[C@@H]1CC=CCC1)N1CC[C@H](C1)C[*:1]
O=C(N[C@@H]1CC=CCC1)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CC=CCC1)N1CC[C@@H](CS[*:1])C1
Cc1cc2c(N[C@@H]3CCC[C@@H](C(N)=O)C3)ncnc2s1 NC(=O)[*:1] Cc1cc2c(ncnc2s1)N[C@@H]1CCC[C@@H](C1)[*:1]
CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2c(-c3cccs3)noc2=O)cc1 CC(C)[*:1] C[C@@H](NC(=O)Cn1c(noc1=O)-c1cccs1)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2c(-c3cccs3)noc2=O)cc1 c1csc(c1)[*:1] CC(C)Cc1ccc(cc1)[C@@H](C)NC(=O)Cn1c(noc1=O)[*:1]
CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2c(-c3cccs3)noc2=O)cc1 CC(C)C[*:1] C[C@@H](NC(=O)Cn1c(noc1=O)-c1cccs1)c1ccc(cc1)[*:1]
N#Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1Cl Fc1ccc(cc1)[*:1] N#Cc1ccc(cc1Cl)NC(=O)C=C[*:1]
O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(nc2ccccc12)[*:1]
CCc1ccccc1NC(=O)CSCC#N N#CC[*:1] CCc1ccccc1NC(=O)CS[*:1]
CCc1ccccc1NC(=O)CSCC#N N#CCS[*:1] CCc1ccccc1NC(=O)C[*:1]
CCc1ccccc1NC(=O)CSCC#N N#CCSC[*:1] CCc1ccccc1NC(=O)[*:1]
CC1(NC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)Cc2ccccc2C1 O=C(NC1CCCCC1)[*:1] CC1(Cc2ccccc2C1)NC(=O)c1cnn(c1)C[*:1]
CC1(NC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)Cc2ccccc2C1 C1CCC(CC1)[*:1] CC1(Cc2ccccc2C1)NC(=O)c1cnn(c1)CC(=O)N[*:1]
Cc1c(C(=O)[O-])sc2c1c(=O)n(Cc1ccccc1)c(=O)n2CC[NH+]1CCCCC1 c1ccc(cc1)C[*:1] Cc1c(sc2c1c(=O)n(c(=O)n2CC[NH+]1CCCCC1)[*:1])C(=O)[O-]
Cc1c(C(=O)[O-])sc2c1c(=O)n(Cc1ccccc1)c(=O)n2CC[NH+]1CCCCC1 O=C([O-])[*:1] Cc1c(sc2c1c(=O)n(Cc1ccccc1)c(=O)n2CC[NH+]1CCCCC1)[*:1]
Cc1c(C(=O)[O-])sc2c1c(=O)n(Cc1ccccc1)c(=O)n2CC[NH+]1CCCCC1 c1ccc(cc1)[*:1] Cc1c(sc2c1c(=O)n(C[*:1])c(=O)n2CC[NH+]1CCCCC1)C(=O)[O-]
CC[C@@H](C)[C@H](Cc1ccc(F)c(F)c1)[NH2+]C CC[C@@H](C)[*:1] C[NH2+][C@@H](Cc1ccc(F)c(F)c1)[*:1]
CN(CCOCC1CC1)C(=O)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CN(CCOCC1CC1)C(=O)c1ccc(cc1)[*:1]
CN(CCOCC1CC1)C(=O)c1ccc([S@](C)=O)cc1 C1CC1CO[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)[S@](C)=O
CN(CCOCC1CC1)C(=O)c1ccc([S@](C)=O)cc1 C1CC1COC[*:1] CN(C[*:1])C(=O)c1ccc(cc1)[S@](C)=O
CN(CCOCC1CC1)C(=O)c1ccc([S@](C)=O)cc1 C1CC1[*:1] CN(CCOC[*:1])C(=O)c1ccc(cc1)[S@](C)=O
CN(CCOCC1CC1)C(=O)c1ccc([S@](C)=O)cc1 C1CC1C[*:1] CN(CCO[*:1])C(=O)c1ccc(cc1)[S@](C)=O
COc1cccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c1OC Fc1cc(F)cc(c1)[*:1] COc1cccc(CN[C@@H]2CCC(=O)N[C@@H]2[*:1])c1OC
Cc1cccc([C@H](C)NC(=O)c2ccc(NC=O)cc2)c1C O=CN[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
CC(C)CS(=O)(=O)N1CCCc2c(NC(=O)OC(C)(C)C)cccc21 CC(C)(C)OC(=O)N[*:1] CC(C)CS(=O)(=O)N1CCCc2c1cccc2[*:1]
CC(C)CS(=O)(=O)N1CCCc2c(NC(=O)OC(C)(C)C)cccc21 CC(C)C[*:1] CC(C)(C)OC(=O)Nc1cccc2c1CCCN2S(=O)(=O)[*:1]
CC(C)CS(=O)(=O)N1CCCc2c(NC(=O)OC(C)(C)C)cccc21 CC(C)[*:1] CC(C)(C)OC(=O)Nc1cccc2c1CCCN2S(=O)(=O)C[*:1]
CC(C)CS(=O)(=O)N1CCCc2c(NC(=O)OC(C)(C)C)cccc21 CC(C)(C)[*:1] CC(C)CS(=O)(=O)N1CCCc2c(cccc21)NC(=O)O[*:1]
CC(=O)N[C@H]1CCN2C(=O)[C@H]3CCCCN3C(=O)[C@H]12 CC(=O)N[*:1] O=C1[C@H]2CCCCN2C(=O)[C@@H]2[C@H](CCN12)[*:1]
CC[C@@H](NC(=O)COc1ccc(C(C)C)c(C)c1)C(=O)N1CCOCC1 CC(C)[*:1] CC[C@@H](NC(=O)COc1ccc(c(C)c1)[*:1])C(=O)N1CCOCC1
CC[C@@H](NC(=O)COc1ccc(C(C)C)c(C)c1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H](NC(=O)COc1ccc(c(C)c1)C(C)C)[*:1]
CCC[NH2+][C@@]1(CO)CC[C@H](SC(C)C)C1 CCC[*:1] CC(C)S[C@H]1CC[C@@](CO)(C1)[NH2+][*:1]
CCC[NH2+][C@@]1(CO)CC[C@H](SC(C)C)C1 CC(C)S[*:1] CCC[NH2+][C@@]1(CO)CC[C@H](C1)[*:1]
CCC[NH2+][C@@]1(CO)CC[C@H](SC(C)C)C1 CC(C)[*:1] CCC[NH2+][C@@]1(CO)CC[C@@H](C1)S[*:1]
Cc1cc(C(=O)N2CCN(C3CC3)C[C@@H]2Cc2ccccc2)c(C)o1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)N2CCN(C[C@H]2[*:1])C2CC2)c(C)o1
Cc1cc(C(=O)N2CCN(C3CC3)C[C@@H]2Cc2ccccc2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(N1CCN(C[C@@H]1Cc1ccccc1)C1CC1)[*:1]
Cc1cc(C(=O)N2CCN(C3CC3)C[C@@H]2Cc2ccccc2)c(C)o1 C1CC1[*:1] Cc1cc(C(=O)N2CCN(C[C@@H]2Cc2ccccc2)[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(C3CC3)C[C@@H]2Cc2ccccc2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCN(C[C@@H]2C[*:1])C2CC2)c(C)o1
Clc1ccc(-c2c[n+](Cc3ccc(Cl)c(Cl)c3)c3n2CCC3)cc1 Clc1ccc(cc1Cl)[*:1] Clc1ccc(cc1)-c1c[n+](C[*:1])c2CCCn12
Clc1ccc(-c2c[n+](Cc3ccc(Cl)c(Cl)c3)c3n2CCC3)cc1 Clc1ccc(cc1)[*:1] Clc1ccc(cc1Cl)C[n+]1cc(n2CCCc21)[*:1]
CCN(Cc1cccs1)C(=O)NCCCc1c(C)noc1C c1csc(c1)C[*:1] CCN(C(=O)NCCCc1c(C)noc1C)[*:1]
CCN(Cc1cccs1)C(=O)NCCCc1c(C)noc1C c1csc(c1)[*:1] CCN(C[*:1])C(=O)NCCCc1c(C)noc1C
CCN(Cc1cccs1)C(=O)NCCCc1c(C)noc1C Cc1noc(C)c1[*:1] CCN(Cc1cccs1)C(=O)NCCC[*:1]
CCC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 CCC[C@@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1
CCC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCC[C@@H](C)NC(=O)C1CCN(CC1)C(=O)[*:1]
CCC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 CCC[*:1] C[C@@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)[*:1]
Cc1cccc(-n2c(=O)c3c(c4cc(C)ccc4n3C)n(CC(N)=O)c2=O)c1 NC(=O)C[*:1] Cc1cccc(c1)-n1c(=O)c2c(c3cc(C)ccc3n2C)n(c1=O)[*:1]
Cc1cccc(-n2c(=O)c3c(c4cc(C)ccc4n3C)n(CC(N)=O)c2=O)c1 NC(=O)[*:1] Cc1cccc(c1)-n1c(=O)c2c(c3cc(C)ccc3n2C)n(C[*:1])c1=O
Cc1cccc(-n2c(=O)c3c(c4cc(C)ccc4n3C)n(CC(N)=O)c2=O)c1 Cc1cccc(c1)[*:1] Cc1ccc2c(c1)c1c(c(=O)n(c(=O)n1CC(N)=O)[*:1])n2C
CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc(C(N)=O)nc1 FC(F)(F)[*:1] CN(Cc1nc(cs1)[*:1])C(=O)c1ccc(nc1)C(N)=O
CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc(C(N)=O)nc1 NC(=O)[*:1] CN(Cc1nc(cs1)C(F)(F)F)C(=O)c1ccc(nc1)[*:1]
COc1nn(C)cc1C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] COc1nn(C)cc1C(=O)Nc1ccc(cc1)[*:1]
COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1N1CCCC1=O O=C1CCCN1[*:1] COc1cc(ccc1[*:1])NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1N1CCCC1=O Fc1ccc(cc1)[*:1] COc1cc(ccc1N1CCCC1=O)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COCCn1cc(NC(=O)C(=O)NC2CCCCC2)cn1 C1CCC(CC1)[*:1] COCCn1cc(cn1)NC(=O)C(=O)N[*:1]
COCCn1cc(NC(=O)C(=O)NC2CCCCC2)cn1 COC[*:1] O=C(Nc1cnn(c1)C[*:1])C(=O)NC1CCCCC1
COCCn1cc(NC(=O)C(=O)NC2CCCCC2)cn1 COCC[*:1] O=C(Nc1cnn(c1)[*:1])C(=O)NC1CCCCC1
Cc1cc(-c2nn(C)c(Cl)c2CN2CCCC[C@H]2CC[NH+](C)C)no1 Cc1cc(no1)[*:1] Cn1nc(c(CN2CCCC[C@H]2CC[NH+](C)C)c1Cl)[*:1]
O=C(NC(=S)N1CCN(CCO)CC1)c1ccc(Br)o1 OCC[*:1] O=C(NC(=S)N1CCN(CC1)[*:1])c1ccc(Br)o1
O=C(NC(=S)N1CCN(CCO)CC1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(NC(=S)N1CCN(CCO)CC1)[*:1]
O=C(C[C@@H]1C=CCC1)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1 FC(F)(F)[*:1] O=C(C[C@@H]1C=CCC1)N1CCC(CC1)n1cnc2cc(ccc21)[*:1]
COc1cccc(N2CC[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)c1 COc1cccc(c1)[*:1] N#Cc1ccc(cc1)C[NH2+]C[C@H]1CCN(C1)[*:1]
COc1cccc(N2CC[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)c1 N#Cc1ccc(cc1)[*:1] COc1cccc(c1)N1CC[C@H](C[NH2+]C[*:1])C1
CC[C@@H]1CCCCN1C(=O)c1nn(CC(C)C)c(=O)c2ccccc12 CC(C)[*:1] CC[C@@H]1CCCCN1C(=O)c1nn(C[*:1])c(=O)c2ccccc12
CC[C@@H]1CCCCN1C(=O)c1nn(CC(C)C)c(=O)c2ccccc12 CC(C)C[*:1] CC[C@@H]1CCCCN1C(=O)c1nn(c(=O)c2ccccc12)[*:1]
Cc1nccn1-c1ccc(CNC(=O)N[C@@H](C)[C@@H](C)CO)cc1F C[C@@H](CO)[*:1] Cc1nccn1-c1ccc(cc1F)CNC(=O)N[C@@H](C)[*:1]
Cc1nccn1-c1ccc(CNC(=O)N[C@@H](C)[C@@H](C)CO)cc1F Cc1nccn1[*:1] C[C@H](NC(=O)NCc1ccc(c(F)c1)[*:1])[C@@H](C)CO
CNC(=O)c1ccc(Cl)c(NC(=O)Cc2csc(C)n2)c1 Cc1nc(cs1)C[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)Cc2csc(C)n2)c1 CNC(=O)[*:1] Cc1nc(cs1)CC(=O)Nc1cc(ccc1Cl)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)Cc2csc(C)n2)c1 Cc1nc(cs1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)C[*:1]
COc1cccc(OCCNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] COc1cccc(c1)OCCNC(=O)N[C@@H](C)[*:1]
COc1cccc(OCCNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)NCCO[*:1])c1ccc(F)c(F)c1
C=CCOc1ccc(OC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 C=CCO[*:1] O=C1C[C@@H](C(=O)Oc2ccc(cc2)[*:1])c2ccccc2N1
C=CCOc1ccc(OC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 C=CC[*:1] O=C1C[C@@H](C(=O)Oc2ccc(cc2)O[*:1])c2ccccc2N1
CCC(CC)(NC(=O)NCc1ccccc1F)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)NCc1ccccc1F)[*:1]
O=C(NCc1nc2ccccc2[nH]1)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] O=C(NCc1nc2ccccc2[nH]1)c1ccc(cc1)[*:1]
O=C(NCc1nc2ccccc2[nH]1)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCc1nc2ccccc2[nH]1)c1ccc(cc1)OC[*:1]
O=C(NCc1nc2ccccc2[nH]1)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(NCc1nc2ccccc2[nH]1)c1ccc(cc1)O[*:1]
O=C(NCc1nc2ccccc2[nH]1)c1ccc(OCc2ccccc2)cc1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NC[*:1])c1ccc(cc1)OCc1ccccc1
CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cn1 CC(C)[*:1] O=C(NCc1ccc(nc1)O[*:1])[C@@H]1CCCN(C1)C(=O)C1CC1
CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cn1 C1CC1[*:1] CC(C)Oc1ccc(cn1)CNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cn1 CC(C)O[*:1] O=C(NCc1ccc(nc1)[*:1])[C@@H]1CCCN(C1)C(=O)C1CC1
O=C(NCc1ccsc1)N[C@H]1C[C@H]1c1cccc(Cl)c1 c1cc(cs1)C[*:1] O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)N[*:1]
O=C(NCc1ccsc1)N[C@H]1C[C@H]1c1cccc(Cl)c1 c1cc(cs1)[*:1] O=C(NC[*:1])N[C@H]1C[C@H]1c1cccc(Cl)c1
CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N[C@@H](C)[*:1]
O=C(c1cc(-c2ccco2)on1)N1CCC(Oc2cccnc2)CC1 c1cncc(c1)[*:1] O=C(c1cc(on1)-c1ccco1)N1CCC(CC1)O[*:1]
O=C(c1cc(-c2ccco2)on1)N1CCC(Oc2cccnc2)CC1 c1coc(c1)[*:1] O=C(c1cc(on1)[*:1])N1CCC(CC1)Oc1cccnc1
O=C(c1cc(-c2ccco2)on1)N1CCC(Oc2cccnc2)CC1 c1cncc(c1)O[*:1] O=C(c1cc(on1)-c1ccco1)N1CCC(CC1)[*:1]
C[C@H](NC(=O)c1cccs1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 O=C(N[*:1])c1cccs1 C[C@H]([C@@H](c1cccs1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
C[C@H](NC(=O)c1cccs1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccs1)[C@@H](c1cccs1)N1CCN(CC1)[*:1]
C[C@H](NC(=O)c1cccs1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])[C@@H](c1cccs1)N1CCN(CC1)c1ccc(F)cc1
C[C@H](NC(=O)c1cccs1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 c1csc(c1)[*:1] C[C@H](NC(=O)c1cccs1)[C@@H](N1CCN(CC1)c1ccc(F)cc1)[*:1]
CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 CCN(C)C(=O)[*:1] O=S(=O)([N-]c1ccccc1Cl)c1cccc(c1)[*:1]
CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 Clc1ccccc1[*:1] CCN(C)C(=O)c1cccc(c1)S(=O)(=O)[N-][*:1]
C=CCn1c(CCO)nc2ccccc21 C=CC[*:1] OCCc1nc2ccccc2n1[*:1]
C=CCn1c(CCO)nc2ccccc21 OCC[*:1] C=CCn1c(nc2ccccc21)[*:1]
CCc1c(C(=O)Nc2ccc3c(c2)OCO3)cnn1Cc1ccccc1 c1ccc(cc1)C[*:1] CCc1c(cnn1[*:1])C(=O)Nc1ccc2OCOc2c1
CCc1c(C(=O)Nc2ccc3c(c2)OCO3)cnn1Cc1ccccc1 c1ccc(cc1)[*:1] CCc1c(cnn1C[*:1])C(=O)Nc1ccc2OCOc2c1
CCN(C[C@H](C)C(=O)OC)C(=O)[C@H]1CCO[C@@H]1C COC(=O)[C@@H](C)[*:1] CCN(C[*:1])C(=O)[C@H]1CCO[C@@H]1C
CCN(C[C@H](C)C(=O)OC)C(=O)[C@H]1CCO[C@@H]1C COC(=O)[*:1] CCN(C[C@H](C)[*:1])C(=O)[C@H]1CCO[C@@H]1C
COc1ccc(C(=O)N2CCN(Cc3cnc(N(C)C)s3)CC2)c(OC)c1 CN(C)c1ncc(s1)[*:1] COc1ccc(C(=O)N2CCN(CC2)C[*:1])c(c1)OC
COc1ccc(C(=O)N2CCN(Cc3cnc(N(C)C)s3)CC2)c(OC)c1 CN(C)[*:1] COc1ccc(C(=O)N2CCN(CC2)Cc2cnc(s2)[*:1])c(c1)OC
COc1ccc(C(=O)N2CCN(Cc3cnc(N(C)C)s3)CC2)c(OC)c1 CN(C)c1ncc(C[*:1])s1 COc1ccc(C(=O)N2CCN(CC2)[*:1])c(c1)OC
COc1ccc2cc(/C=C/C(=O)c3cnccc3C)ccc2c1 Cc1ccncc1[*:1] COc1ccc2cc(/C=C/C(=O)[*:1])ccc2c1
CC[C@H](C)Oc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 CC[C@H](C)[*:1] O=C(NCc1ccncc1)C(=O)Nc1ccc(cc1)O[*:1]
CC[C@H](C)Oc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 c1cc(ccn1)C[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC[C@H](C)Oc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 CC[C@H](C)O[*:1] O=C(NCc1ccncc1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)Oc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 c1cc(ccn1)[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)C(=O)NC[*:1]
Cn1ncc(N)c1NC(=O)Nc1cccc2ccccc12 Cn1ncc(N)c1[*:1] O=C(Nc1cccc2ccccc12)N[*:1]
Cc1ccc(C)c2c1C(=O)C(=O)N2CC[C@H]1CCCC1=O O=C1CCC[C@@H]1C[*:1] Cc1ccc(C)c2c1C(=O)C(=O)N2C[*:1]
Cc1ccc(C)c2c1C(=O)C(=O)N2CC[C@H]1CCCC1=O O=C1CCC[C@@H]1[*:1] Cc1ccc(C)c2c1C(=O)C(=O)N2CC[*:1]
CCCCSc1nnc(CNC(=O)c2ccccc2)o1 c1ccc(cc1)[*:1] CCCCSc1nnc(CNC(=O)[*:1])o1
CCCCSc1nnc(CNC(=O)c2ccccc2)o1 CCC[*:1] O=C(NCc1nnc(o1)SC[*:1])c1ccccc1
CCCCSc1nnc(CNC(=O)c2ccccc2)o1 CCCC[*:1] O=C(NCc1nnc(o1)S[*:1])c1ccccc1
CCCCSc1nnc(CNC(=O)c2ccccc2)o1 CCCCS[*:1] O=C(NCc1nnc(o1)[*:1])c1ccccc1
C[C@H]([C@@H](C)Cl)[C@@H]1CCOC2(CCSCC2)C1 C[C@H]([C@@H](C)Cl)[*:1] C1C[C@H](CC2(CCSCC2)O1)[*:1]
C[C@H]([C@@H](C)Cl)[C@@H]1CCOC2(CCSCC2)C1 C[C@@H](Cl)[*:1] C[C@H]([C@@H]1CCOC2(CCSCC2)C1)[*:1]
CCOC(=O)c1cccc(NC(=O)NCc2nnc3n2CCCCC3)c1 CCOC(=O)[*:1] O=C(NCc1nnc2CCCCCn21)Nc1cccc(c1)[*:1]
CSc1nn(CC(=O)NC(C)(C)C)c(N)c1-c1nc(-c2ccc(C)cc2)no1 CC(C)(C)[*:1] CSc1nn(CC(=O)N[*:1])c(N)c1-c1nc(no1)-c1ccc(C)cc1
CSc1nn(CC(=O)NC(C)(C)C)c(N)c1-c1nc(-c2ccc(C)cc2)no1 CC(C)(C)NC(=O)[*:1] CSc1nn(C[*:1])c(N)c1-c1nc(no1)-c1ccc(C)cc1
CSc1nn(CC(=O)NC(C)(C)C)c(N)c1-c1nc(-c2ccc(C)cc2)no1 Cc1ccc(cc1)[*:1] CSc1nn(CC(=O)NC(C)(C)C)c(N)c1-c1nc(no1)[*:1]
CSc1nn(CC(=O)NC(C)(C)C)c(N)c1-c1nc(-c2ccc(C)cc2)no1 CC(C)(C)NC(=O)C[*:1] CSc1nn(c(N)c1-c1nc(no1)-c1ccc(C)cc1)[*:1]
Cn1c(C(=O)N2CCCN(c3ccc(F)cc3)CC2)cc2ccccc21 Fc1ccc(cc1)[*:1] Cn1c(cc2ccccc21)C(=O)N1CCCN(CC1)[*:1]
O=C(OCCCNC(=O)c1cc2ccccc2oc1=O)c1cc2cc(Br)ccc2o1 Brc1ccc2oc(cc2c1)[*:1] O=C(NCCCOC(=O)[*:1])c1cc2ccccc2oc1=O
Cc1nn(C)cc1CCC(=O)N1CCOC[C@@H]1C(N)=O NC(=O)[*:1] Cc1nn(C)cc1CCC(=O)N1CCOC[C@H]1[*:1]
CCN(C(=O)CCn1ccccc1=O)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)CCn1ccccc1=O)[C@H](C)[*:1]
CCN(C(=O)CCn1ccccc1=O)[C@H](C)c1ccc(F)cc1 O=c1ccccn1[*:1] CCN(C(=O)CC[*:1])[C@H](C)c1ccc(F)cc1
Cc1noc(-c2nn(C)c3c2CN(C(=O)Cc2cccnc2)CC3)n1 c1cncc(c1)C[*:1] Cc1noc(n1)-c1nn(C)c2CCN(Cc12)C(=O)[*:1]
Cc1noc(-c2nn(C)c3c2CN(C(=O)Cc2cccnc2)CC3)n1 c1cncc(c1)[*:1] Cc1noc(n1)-c1nn(C)c2CCN(Cc12)C(=O)C[*:1]
Cc1noc(-c2nn(C)c3c2CN(C(=O)Cc2cccnc2)CC3)n1 Cc1noc(n1)[*:1] Cn1nc(c2CN(CCc21)C(=O)Cc1cccnc1)[*:1]
Cc1csc([C@@H](N[C@H](C)c2cnc3cc(C)nn3c2C)C2CC2)n1 Cc1csc(n1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)N[C@@H](C1CC1)[*:1]
Cc1csc([C@@H](N[C@H](C)c2cnc3cc(C)nn3c2C)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](N[C@H](C)c1cnc2cc(C)nn2c1C)[*:1]
COC(=O)c1cccc(NC(=O)c2c(C)nc(-c3ccco3)nc2SC)c1 c1coc(c1)[*:1] COC(=O)c1cccc(c1)NC(=O)c1c(C)nc(nc1SC)[*:1]
COC(=O)c1cccc(NC(=O)c2c(C)nc(-c3ccco3)nc2SC)c1 COC(=O)[*:1] CSc1nc(nc(C)c1C(=O)Nc1cccc(c1)[*:1])-c1ccco1
CCC[C@H](C(=O)Nc1ccncc1)c1ccccc1 CCC[*:1] O=C(Nc1ccncc1)[C@H](c1ccccc1)[*:1]
CCC[C@H](C(=O)Nc1ccncc1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](C(=O)Nc1ccncc1)[*:1]
CCC[C@H](C(=O)Nc1ccncc1)c1ccccc1 c1cc(ccn1)[*:1] CCC[C@H](C(=O)N[*:1])c1ccccc1
CC(=O)Nc1cccc(C(=O)NCc2cc[nH]n2)c1 c1cc(n[nH]1)[*:1] CC(=O)Nc1cccc(c1)C(=O)NC[*:1]
CC(=O)Nc1cccc(C(=O)NCc2cc[nH]n2)c1 CC(=O)N[*:1] O=C(NCc1cc[nH]n1)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)NCc2cc[nH]n2)c1 c1cc(C[*:1])n[nH]1 CC(=O)Nc1cccc(c1)C(=O)N[*:1]
C[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc2OCCOc2c1)c1nc(no1)[*:1]
C[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1nc(C(C)(C)C)no1 CC(C)(C)c1noc(n1)[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc2OCCOc2c1)[*:1]
COC(=O)c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1 O=[N+]([O-])[*:1] COC(=O)c1cc(ccc1SCc1ccc(Cl)cc1)[*:1]
COC(=O)c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1 COC(=O)[*:1] O=[N+]([O-])c1ccc(SCc2ccc(Cl)cc2)c(c1)[*:1]
COC(=O)c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)c1cc(ccc1SC[*:1])[N+](=O)[O-]
O=C1O[C@H](CC(=O)c2ccco2)C(Cl)=C1Cl c1coc(c1)[*:1] O=C1O[C@H](CC(=O)[*:1])C(Cl)=C1Cl
CCOC[C@@H]1CCCN(CN2C(=O)C(=O)c3cccc(F)c32)C1 CCOC[*:1] O=C1C(=O)N(CN2CCC[C@H](C2)[*:1])c2c(F)cccc21
CCOC[C@@H]1CCCN(CN2C(=O)C(=O)c3cccc(F)c32)C1 CCO[*:1] O=C1C(=O)N(CN2CCC[C@H](C2)C[*:1])c2c(F)cccc21
COC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] COC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)[*:1]
COc1ccc(CN2C[C@H](C(=O)N3C[C@H](C)OCC3(C)C)CC2=O)cc1 COc1ccc(cc1)[*:1] C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C2)C[*:1])C(C)(C)CO1
CC(=O)NCCOc1cc(C)ccc1C(C)C CC(=O)NC[*:1] Cc1ccc(c(c1)OC[*:1])C(C)C
CC(=O)NCCOc1cc(C)ccc1C(C)C CC(=O)N[*:1] Cc1ccc(c(c1)OCC[*:1])C(C)C
CC(=O)NCCOc1cc(C)ccc1C(C)C CC(C)[*:1] CC(=O)NCCOc1cc(C)ccc1[*:1]
C#Cc1cccc(N(CC(=O)NC)C(=O)c2c(CC)noc2C)c1 CNC(=O)[*:1] C#Cc1cccc(c1)N(C[*:1])C(=O)c1c(CC)noc1C
C#Cc1cccc(N(CC(=O)NC)C(=O)c2c(CC)noc2C)c1 C#Cc1cccc(c1)[*:1] CCc1noc(C)c1C(=O)N(CC(=O)NC)[*:1]
C#Cc1cccc(N(CC(=O)NC)C(=O)c2c(CC)noc2C)c1 CCc1noc(C)c1[*:1] C#Cc1cccc(c1)N(CC(=O)NC)C(=O)[*:1]
C#Cc1cccc(N(CC(=O)NC)C(=O)c2c(CC)noc2C)c1 CNC(=O)C[*:1] C#Cc1cccc(c1)N(C(=O)c1c(CC)noc1C)[*:1]
CC[C@@H](C)[S@](=O)[C@@H](C)[C@@H](C)C(=O)OC COC(=O)[*:1] CC[C@@H](C)[S@](=O)[C@@H](C)[C@@H](C)[*:1]
CC[C@@H](C)[S@](=O)[C@@H](C)[C@@H](C)C(=O)OC CC[C@@H](C)[*:1] COC(=O)[C@H](C)[C@H](C)[S@@](=O)[*:1]
Fc1ccc(-c2csc(NC3CCCC3)n2)cc1 C1CCC(C1)[*:1] Fc1ccc(cc1)-c1csc(n1)N[*:1]
Fc1ccc(-c2csc(NC3CCCC3)n2)cc1 C1CCC(C1)N[*:1] Fc1ccc(cc1)-c1csc(n1)[*:1]
O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1ccc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1ccc(F)cc1[*:1]
NC(=S)c1cc2ccccc2c2ccccc12 NC(=S)[*:1] c1ccc2c(c1)cc(c1ccccc12)[*:1]
COC(C)(C)C[C@@]1(C)CC[NH2+]C[C@H]1c1ccccc1F COC(C)(C)C[*:1] C[C@]1(CC[NH2+]C[C@H]1c1ccccc1F)[*:1]
COC(C)(C)C[C@@]1(C)CC[NH2+]C[C@H]1c1ccccc1F COC(C)(C)[*:1] C[C@@]1(CC[NH2+]C[C@H]1c1ccccc1F)C[*:1]
CCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[*:1]
CCn1c(=O)oc2cc(NS(=O)(=O)c3ccc(CC(C)C)cc3)ccc21 CC(C)C[*:1] CCn1c(=O)oc2cc(ccc21)NS(=O)(=O)c1ccc(cc1)[*:1]
CCn1c(=O)oc2cc(NS(=O)(=O)c3ccc(CC(C)C)cc3)ccc21 CC(C)[*:1] CCn1c(=O)oc2cc(ccc21)NS(=O)(=O)c1ccc(cc1)C[*:1]
O=C(NC1=N[C@@H]2CCCCC[C@H]2S1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 O=S1(=O)CC[C@H](C1)[*:1] O=C(NC1=N[C@@H]2CCCCC[C@H]2S1)C1CCC(=O)N(N=1)[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)s1 C1CCC(CC1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)N[C@@H]1C[C@H]1[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)[*:1]
CCc1ccc([C@H](C)NC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)NNC(=O)c1ccc(cc1)[*:1]
CCc1ccc([C@H](C)NC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 CCc1ccc(cc1)[*:1] C[C@H](NC(=O)NNC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] CCN(C(=O)c1cccc(c1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)[*:1]
CC1=NC(C(=O)Nc2ccc(Cl)cc2C)=C(C)[C@@H]1S(=O)(=O)N1CCCCC1 Cc1cc(Cl)ccc1[*:1] CC1=NC(C(=O)N[*:1])=C(C)[C@@H]1S(=O)(=O)N1CCCCC1
CC1=NC(C(=O)Nc2ccc(Cl)cc2C)=C(C)[C@@H]1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] CC1=NC(C(=O)Nc2ccc(Cl)cc2C)=C(C)[C@H]1[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)Cc2cccc(Cl)c2)C1 Clc1cccc(c1)C[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)[*:1])C1
CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)Cc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)C[*:1])C1
CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)Cc2cccc(Cl)c2)C1 CC(C)(C)[*:1] O=C(Cc1cccc(Cl)c1)NCC[C@@H]1CCCN(C1)C(=O)O[*:1]
CC(C)CC[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1F CC(C)C[*:1] C[C@H](C[*:1])NC(=O)NC[C@@H](O)c1ccccc1F
CC(C)CC[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1F CC(C)CC[C@@H](C)[*:1] O=C(NC[C@@H](O)c1ccccc1F)N[*:1]
CC(C)CC[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1F CC(C)[*:1] C[C@H](CC[*:1])NC(=O)NC[C@@H](O)c1ccccc1F
CC(C)CC[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1F Fc1ccccc1[*:1] CC(C)CC[C@@H](C)NC(=O)NC[C@@H](O)[*:1]
CC(C)CC[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1F CC(C)CC[*:1] C[C@@H](NC(=O)NC[C@@H](O)c1ccccc1F)[*:1]
O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(NC[C@@H]1OCCCN1S(=O)(=O)c1ccc2OCCOc2c1)C(=O)NC[*:1]
O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1OCCCN1S(=O)(=O)c1ccc2OCCOc2c1)C(=O)N[*:1]
O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)[*:1]
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)c(c1)[*:1]
CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CC[C@H](C)C3 O=[N+]([O-])[*:1] CCn1c(nc2sc3C[C@@H](C)CCc3c2c1=O)SCC(=O)Nc1ccccc1[*:1]
CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CC[C@H](C)C3 O=[N+]([O-])c1ccccc1[*:1] CCn1c(nc2sc3C[C@@H](C)CCc3c2c1=O)SCC(=O)N[*:1]
Cc1nn(CCCl)c(C)c1C(=O)NCc1cc(F)ccc1F ClCC[*:1] Cc1nn(c(C)c1C(=O)NCc1cc(F)ccc1F)[*:1]
C=CCOc1ccc(C(=O)N(C)CC(=O)N(C)C)cc1 C=CC[*:1] CN(C)C(=O)CN(C)C(=O)c1ccc(cc1)O[*:1]
C=CCOc1ccc(C(=O)N(C)CC(=O)N(C)C)cc1 CN(C)C(=O)C[*:1] C=CCOc1ccc(cc1)C(=O)N(C)[*:1]
C=CCOc1ccc(C(=O)N(C)CC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] C=CCOc1ccc(cc1)C(=O)N(C)C[*:1]
C=CCOc1ccc(C(=O)N(C)CC(=O)N(C)C)cc1 C=CCO[*:1] CN(C)C(=O)CN(C)C(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1cnc(-c2ccc(Br)cc2)nc1Cl CCOC(=O)[*:1] Clc1nc(ncc1[*:1])-c1ccc(Br)cc1
C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCOC1 Clc1ccc(cc1)[*:1] C[C@H](OC(=O)[C@@H]1CCCN(C1)C(=O)[*:1])[C@@H]1CCOC1
COc1cccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1 Cc1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)c1c(C)nn(c1Cl)[*:1]
COc1cccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)Cn1nc(C)c(C(=O)N[*:1])c1Cl
COc1cccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)c1c(C)nn(C[*:1])c1Cl
Nc1ccc(SCCO)nc1N OCC[*:1] Nc1ccc(nc1N)S[*:1]
Nc1ccc(SCCO)nc1N OCCS[*:1] Nc1ccc(nc1N)[*:1]
Brc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2cccnc2)cc1 c1cncc(c1)[*:1] Brc1ccc(cc1)-n1c(nnc1[*:1])SC[C@@H]1CCCCO1
Brc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2cccnc2)cc1 Brc1ccc(cc1)[*:1] c1cncc(c1)-c1nnc(SC[C@@H]2CCCCO2)n1[*:1]
Cc1oc2cc(OCC(=O)N3CCN(c4ncccn4)CC3)ccc2c(=O)c1-c1ccccc1 c1cnc(nc1)[*:1] Cc1oc2cc(ccc2c(=O)c1-c1ccccc1)OCC(=O)N1CCN(CC1)[*:1]
Cc1oc2cc(OCC(=O)N3CCN(c4ncccn4)CC3)ccc2c(=O)c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1oc2cc(ccc2c(=O)c1[*:1])OCC(=O)N1CCN(CC1)c1ncccn1
COc1ccccc1/C=C(/C(=O)N[C@H](C)c1cn(C)nc1C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1/C=C(/C(=O)N[C@H](C)c1cn(C)nc1C)[*:1]
COc1ccccc1/C=C(/C(=O)N[C@H](C)c1cn(C)nc1C)c1ccccc1 COc1ccccc1[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)C(=C[*:1])c1ccccc1
COc1ccccc1/C=C(/C(=O)N[C@H](C)c1cn(C)nc1C)c1ccccc1 Cc1nn(C)cc1[*:1] COc1ccccc1/C=C(/C(=O)N[C@H](C)[*:1])c1ccccc1
CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)c1cccc(C)c1 Fc1ccccc1[*:1] CCC(C)(C)NC(=O)[C@@H](N(C(=O)c1csnn1)c1cccc(C)c1)[*:1]
CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)c1cccc(C)c1 CCC(C)(C)[*:1] Cc1cccc(c1)N(C(=O)c1csnn1)[C@@H](C(=O)N[*:1])c1ccccc1F
CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)[*:1]
CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)c1cccc(C)c1 CCC(C)(C)NC(=O)[*:1] Cc1cccc(c1)N(C(=O)c1csnn1)[C@H](c1ccccc1F)[*:1]
CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)c1cccc(C)c1 c1snnc1[*:1] CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)[*:1])c1cccc(C)c1
CC(C)[NH2+][C@@]1(CO)CCC[C@@H](OCC2CCOCC2)C1 CC(C)[*:1] OC[C@@]1(CCC[C@H](C1)OCC1CCOCC1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(CO)CCC[C@@H](OCC2CCOCC2)C1 C1CC(CCO1)[*:1] CC(C)[NH2+][C@@]1(CO)CCC[C@H](C1)OC[*:1]
O=[N+]([O-])c1ccc(C[NH+]2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 Clc1cccc(c1)C[*:1] O=[N+]([O-])c1ccc(cc1)C[NH+]1CC[NH+](CC1)[*:1]
O=[N+]([O-])c1ccc(C[NH+]2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 Clc1cccc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)C[NH+]1CC[NH+](CC1)C[*:1]
O=[N+]([O-])c1ccc(C[NH+]2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 O=[N+]([O-])[*:1] Clc1cccc(c1)C[NH+]1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
COC(=O)[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 COC(=O)[*:1] c1ccc(cc1)[C@H]1C[NH2+]C[C@H](C1)[*:1]
C[NH+]1CCN(C(=O)c2cc3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3n2)CC1 Clc1ccc(cc1Cl)[*:1] C[NH+]1CCN(CC1)C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
C[NH+]1CCN(C(=O)c2cc3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3n2)CC1 FC(F)(F)[*:1] C[NH+]1CCN(CC1)C(=O)c1cc2nc(cc(n2n1)[*:1])-c1ccc(Cl)c(Cl)c1
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccco2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 CC(C)(C)C(=O)[*:1] N#CC1(C#N)[C@@H](c2ccco2)[C@H](N2c3ccccc3C=C[C@@H]21)[*:1]
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccco2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 CC(C)(C)[*:1] N#CC1(C#N)[C@@H](c2ccco2)[C@@H](C(=O)[*:1])N2c3ccccc3C=C[C@@H]21
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccco2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 c1coc(c1)[*:1] CC(C)(C)C(=O)[C@@H]1[C@H](C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12)[*:1]
CC[NH2+][C@H](CSC)c1cccc(OCC)c1 CCO[*:1] CC[NH2+][C@H](CSC)c1cccc(c1)[*:1]
CC[NH2+][C@H](CSC)c1cccc(OCC)c1 CSC[*:1] CC[NH2+][C@H](c1cccc(c1)OCC)[*:1]
Cc1ccn2c(CN3CCN(C(=O)Cc4ccc(OC(F)F)cc4)CC3)c(C)[nH+]c2c1 FC(F)Oc1ccc(cc1)[*:1] Cc1ccn2c(CN3CCN(CC3)C(=O)C[*:1])c(C)[nH+]c2c1
Cc1ccn2c(CN3CCN(C(=O)Cc4ccc(OC(F)F)cc4)CC3)c(C)[nH+]c2c1 FC(F)[*:1] Cc1ccn2c(CN3CCN(CC3)C(=O)Cc3ccc(cc3)O[*:1])c(C)[nH+]c2c1
Cc1ccn2c(CN3CCN(C(=O)Cc4ccc(OC(F)F)cc4)CC3)c(C)[nH+]c2c1 FC(F)O[*:1] Cc1ccn2c(CN3CCN(CC3)C(=O)Cc3ccc(cc3)[*:1])c(C)[nH+]c2c1
O=C(CCS(=O)(=O)C1CCCC1)NCc1cc[nH+]c(N2CCCC2)c1 C1CCN(C1)[*:1] O=C(CCS(=O)(=O)C1CCCC1)NCc1cc[nH+]c(c1)[*:1]
O=C(CCS(=O)(=O)C1CCCC1)NCc1cc[nH+]c(N2CCCC2)c1 C1CCC(C1)[*:1] O=C(CCS(=O)(=O)[*:1])NCc1cc[nH+]c(c1)N1CCCC1
O=C(CCS(=O)(=O)C1CCCC1)NCc1cc[nH+]c(N2CCCC2)c1 O=S(=O)(C1CCCC1)[*:1] O=C(CC[*:1])NCc1cc[nH+]c(c1)N1CCCC1
Cc1ccccc1[C@@H](NC(=O)C1CCN(C(N)=O)CC1)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H](NC(=O)C1CCN(CC1)C(N)=O)[*:1]
Cc1ccccc1[C@@H](NC(=O)C1CCN(C(N)=O)CC1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)C1CCN(CC1)C(N)=O)[*:1]
CCc1ccccc1NC(=O)C(=O)N(C)Cc1csc(Br)c1 Brc1cc(cs1)[*:1] CCc1ccccc1NC(=O)C(=O)N(C)C[*:1]
CCc1ccccc1NC(=O)C(=O)N(C)Cc1csc(Br)c1 Brc1cc(cs1)C[*:1] CCc1ccccc1NC(=O)C(=O)N(C)[*:1]
CC(=O)Nc1ccc(C[NH2+]Cc2cccnc2N(C)C2CCCCC2)cc1 CN(C1CCCCC1)[*:1] CC(=O)Nc1ccc(cc1)C[NH2+]Cc1cccnc1[*:1]
CC(=O)Nc1ccc(C[NH2+]Cc2cccnc2N(C)C2CCCCC2)cc1 CC(=O)N[*:1] CN(c1ncccc1C[NH2+]Cc1ccc(cc1)[*:1])C1CCCCC1
CC(=O)Nc1ccc(C[NH2+]Cc2cccnc2N(C)C2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(=O)Nc1ccc(cc1)C[NH2+]Cc1cccnc1N(C)[*:1]
Cc1nc(Cl)cc(N(C)C2CCC2)n1 C1CC(C1)[*:1] Cc1nc(Cl)cc(n1)N(C)[*:1]
CCc1nn(C)cc1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 CCc1nn(C)cc1[*:1] O=C(Nc1ccncc1)c1ccc(cc1)CNC(=O)[*:1]
CCc1nn(C)cc1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 O=C(Nc1ccncc1)[*:1] CCc1nn(C)cc1C(=O)NCc1ccc(cc1)[*:1]
CCc1nn(C)cc1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 c1cc(ccn1)[*:1] CCc1nn(C)cc1C(=O)NCc1ccc(cc1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 CC[C@@H](C)NC(=O)[*:1] O=C(OC[*:1])c1c2CCCCCc2nc2ccccc12
CC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 CC[C@@H](C)NC(=O)C[*:1] O=C(O[*:1])c1c2CCCCCc2nc2ccccc12
CC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 CC[C@@H](C)[*:1] O=C(COC(=O)c1c2CCCCCc2nc2ccccc12)N[*:1]
CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] CCN(C(=O)c1ccc(cc1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)[*:1]
CC(C)Cn1ccnc(NCCOc2ccc(F)cc2F)c1=O CC(C)[*:1] O=c1c(nccn1C[*:1])NCCOc1ccc(F)cc1F
CC(C)Cn1ccnc(NCCOc2ccc(F)cc2F)c1=O CC(C)C[*:1] O=c1c(nccn1[*:1])NCCOc1ccc(F)cc1F
Cc1noc2nc(-c3ccccc3)cc(C(=O)OC[C@@H]3CCCCO3)c12 c1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)OC[C@@H]3CCCCO3)c12)[*:1]
C[C@@H]1CCCC[C@H]1n1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1cccnc1 c1cncc(c1)[*:1] C[C@@H]1CCCC[C@H]1n1c(nnc1[*:1])SCC(=O)NCc1ccccc1Cl
C[C@@H]1CCCC[C@H]1n1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1cccnc1 Clc1ccccc1[*:1] C[C@@H]1CCCC[C@H]1n1c(nnc1-c1cccnc1)SCC(=O)NC[*:1]
C[C@@H]1CCCC[C@H]1n1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1cccnc1 Clc1ccccc1C[*:1] C[C@@H]1CCCC[C@H]1n1c(nnc1-c1cccnc1)SCC(=O)N[*:1]
COc1ccccc1C(C)(C)[NH2+]CCCCC#N N#CC[*:1] COc1ccccc1C(C)(C)[NH2+]CCC[*:1]
COc1ccccc1C(C)(C)[NH2+]CCCCC#N N#CCCC[*:1] COc1ccccc1C(C)(C)[NH2+]C[*:1]
COc1ccccc1C(C)(C)[NH2+]CCCCC#N N#CCC[*:1] COc1ccccc1C(C)(C)[NH2+]CC[*:1]
CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] CCO[*:1] O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1
CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1[C@@H](O)[*:1]
CCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)CC1 Fc1cccc(c1)C[*:1] CCC(=O)N1CCC(CC1)c1nc(C)c2CCC(=O)N(c2n1)[*:1]
CCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)CC1 Fc1cccc(c1)[*:1] CCC(=O)N1CCC(CC1)c1nc(C)c2CCC(=O)N(C[*:1])c2n1
CCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)CC1 CCC(=O)N1CCC(CC1)[*:1] Cc1nc(nc2c1CCC(=O)N2Cc1cccc(F)c1)[*:1]
C[C@H]([NH2+][C@@H]1CCCOc2c1ccc1ccccc21)c1nc(C(C)(C)C)no1 CC(C)(C)c1noc(n1)[*:1] C[C@H]([NH2+][C@@H]1CCCOc2c1ccc1ccccc21)[*:1]
C[C@H]([NH2+][C@@H]1CCCOc2c1ccc1ccccc21)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H]([NH2+][C@@H]1CCCOc2c1ccc1ccccc21)c1nc(no1)[*:1]
CCNc1cccc(CO[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 CCN[*:1] C[C@@H]1C[C@H](CC(C)(C)C1)OCc1cccc(n1)[*:1]
CC(C)C(=O)Nc1nnc(-c2cccnc2)s1 CC(C)[*:1] O=C(Nc1nnc(s1)-c1cccnc1)[*:1]
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[*:1]
CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)[N-]S(=O)(=O)[*:1]
CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 CO[C@H](C)[*:1] O=C(Nc1cccc(c1)[N-]S(=O)(=O)c1cccc(F)c1)[*:1]
CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 CO[C@H](C)C(=O)N[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1cccc(F)c1
CC[C@H]1CCCC[C@@H]1Oc1nc(C(F)(F)F)ccc1C#N FC(F)(F)[*:1] CC[C@H]1CCCC[C@@H]1Oc1nc(ccc1C#N)[*:1]
CCCCS(=O)(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)[nH+]c1 CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNS(=O)(=O)C[*:1]
CCCCS(=O)(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)[nH+]c1 CCCC[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNS(=O)(=O)[*:1]
C=C(C)COc1cccc(NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)c1 Cc1n[nH]c(C)c1[*:1] C=C(C)COc1cccc(c1)NC(=O)[C@@H](C)C[*:1]
C=C(C)COc1cccc(NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)c1 C=C(C)C[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cccc(c1)O[*:1]
C=C(C)COc1cccc(NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)c1 C=C(C)CO[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cccc(c1)[*:1]
C=C(C)COc1cccc(NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)c1 C=C(C)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cccc(c1)OC[*:1]
C=C(C)COc1cccc(NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)c1 Cc1n[nH]c(C)c1C[*:1] C=C(C)COc1cccc(c1)NC(=O)[C@@H](C)[*:1]
CCCS(=O)(=O)NC1CCN(C(=O)/C=C/C2CC2)CC1 CCC[*:1] O=C(/C=C/C1CC1)N1CCC(CC1)NS(=O)(=O)[*:1]
CCCS(=O)(=O)NC1CCN(C(=O)/C=C/C2CC2)CC1 C1CC1[*:1] CCCS(=O)(=O)NC1CCN(CC1)C(=O)C=C[*:1]
CCCS(=O)(=O)NC1CCN(C(=O)/C=C/C2CC2)CC1 C(=C[*:1])C1CC1 CCCS(=O)(=O)NC1CCN(CC1)C(=O)[*:1]
CCCNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 CCC[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[*:1]
C[C@H](CCc1ccccc1F)C(=O)O[C@@H](C#N)C1CC1 C1CC1[*:1] C[C@H](CCc1ccccc1F)C(=O)O[C@@H](C#N)[*:1]
CCCCN(C)C(=O)c1cn2c(n1)CN(CC)CC2 CCC[*:1] CCN1CCn2cc(nc2C1)C(=O)N(C)C[*:1]
CCCCN(C)C(=O)c1cn2c(n1)CN(CC)CC2 CCCC[*:1] CCN1CCn2cc(nc2C1)C(=O)N(C)[*:1]
Cc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1n[nH]c2CCCc12
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 COC(=O)[*:1] O=S(=O)(Nc1ccccc1[*:1])c1ccc(cc1)OC(F)(F)F
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] COC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] COC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)O[*:1]
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)C1CCCCC1 CC(C)[*:1] CN(C(=O)[C@@H](NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])[*:1])C1CCCCC1
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)C1CCCCC1 C1CCC(CC1)[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])C(=O)N(C)[*:1]
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)C1CCCCC1 O=[N+]([O-])[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1Cl)[*:1])C(=O)N(C)C1CCCCC1
CC(C)N1CCO[C@H](c2nnn[n-]2)C1 CC(C)[*:1] C1CN(C[C@H](O1)c1nnn[n-]1)[*:1]
Cc1ccc(NC(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(CCSCc1nc2sc3CCCCc3c2c(=O)[nH]1)N[*:1]
CC(C)c1cc(/C([O-])=N/S(=O)(=O)c2c(Cl)cccc2Cl)[nH]n1 CC(C)[*:1] O=S(=O)(/N=C(\[O-])c1cc(n[nH]1)[*:1])c1c(Cl)cccc1Cl
COc1ccc(OS(=O)(=O)c2cn(C)cn2)cc1F Cn1cnc(c1)[*:1] COc1ccc(cc1F)OS(=O)(=O)[*:1]
CC(C)[C@@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)N1C[C@H](C)O[C@H](C)C1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)[C@@H](C(=O)NC[*:1])N1C[C@H](C)O[C@H](C)C1
CC(C)[C@@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)N1C[C@H](C)O[C@H](C)C1 CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)[*:1]
CC1CCN(C(=O)CC#N)CC1 N#CC[*:1] CC1CCN(CC1)C(=O)[*:1]
Cc1ccc2nc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)sc2c1 C1CO[C@H](C1)CO[*:1] Cc1ccc2nc(NC(=O)c3ccc(cc3)[*:1])sc2c1
CCCC(=O)N1[C@H]2CC[C@@H]1c1cnc3cc(C)nn3c1C2 CCC[*:1] Cc1cc2ncc3c(C[C@@H]4CC[C@H]3N4C(=O)[*:1])n2n1
COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCn2nc(C)c(C)c2C)cc1 Cc1nn(C[*:1])c(C)c1C COc1ccc(cc1)[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1NC(=O)C[*:1]
COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCn2nc(C)c(C)c2C)cc1 Cc1nn(c(C)c1C)[*:1] COc1ccc(cc1)[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1NC(=O)CC[*:1]
COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCn2nc(C)c(C)c2C)cc1 COc1ccc(cc1)[*:1] Cc1nn(CCC(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[*:1])c(C)c1C
COc1ccc(-c2nonc2NC(=O)c2ccccc2Cl)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)-c1nonc1NC(=O)[*:1]
COC(=O)c1ccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 COC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1[*:1]
COC(=O)c1ccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 COC(=O)[*:1] COc1ccc(cc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(cc1)[*:1]
COC(=O)c1ccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 COc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1C(=C(O)C(=O)N1Cc1ccccc1)[*:1]
COC(=O)c1ccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1C(=C(O)C(=O)N1C[*:1])c1ccc(cc1)OC
COC(=O)c1ccc([C@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(cc1)[C@H]1C(=C(O)C(=O)N1[*:1])c1ccc(cc1)OC
CCC[NH2+][C@H]1CC[C@@H]([NH+]2CCC(CC)(CC)CC2)C1 CCC[*:1] CCC1(CC)CC[NH+](CC1)[C@@H]1CC[C@@H](C1)[NH2+][*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cc(NC(C)=O)ccc2F)C1 COC(=O)C(C)(C)[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cc(NC(C)=O)ccc2F)C1 COC(=O)[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)N1CCC[C@@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cc(NC(C)=O)ccc2F)C1 CC(=O)N[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)c1cc(ccc1F)[*:1]
COc1cccc2c1OC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C2 CC(C)(C)[*:1] COc1cccc2C[C@H](COc21)NC(=O)[C@@H](C)NC(=O)[*:1]
COc1cccc2c1OC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C2 CC(C)(C)C(=O)N[*:1] COc1cccc2C[C@H](COc21)NC(=O)[C@@H](C)[*:1]
C[C@@H]1CCCCN1C(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)CN1CCN(CC1)[C@H](C#N)[*:1]
Cn1cc(S(=O)(=O)/N=C(\[O-])c2cccc(F)c2)cc1C(N)=O Fc1cccc(c1)[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)/N=C(\[O-])[*:1]
Cn1cc(S(=O)(=O)/N=C(\[O-])c2cccc(F)c2)cc1C(N)=O NC(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)/N=C(\[O-])c1cccc(F)c1
C[C@H](NC(=O)COc1ccccc1C(N)=O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)COc1ccccc1C(N)=O)[*:1]
C[C@H](NC(=O)COc1ccccc1C(N)=O)c1ccccc1Cl NC(=O)[*:1] C[C@H](NC(=O)COc1ccccc1[*:1])c1ccccc1Cl
CN1CCO[C@H](CNc2nccnc2C(=O)[O-])C1 O=C([O-])[*:1] CN1CCO[C@H](CNc2nccnc2[*:1])C1
C[C@@H](NC(=O)NOC1CCCC1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@@H](NC(=O)NOC1CCCC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)NOC1CCCC1)c1ccc(N2CCCC2=O)cc1 C1CCC(C1)[*:1] C[C@@H](NC(=O)NO[*:1])c1ccc(cc1)N1CCCC1=O
CCN(C(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)c1ccc(cc1)NC(=O)C1CC1)[*:1]
CCN(C(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1C O=C(N[*:1])C1CC1 CCN(C(=O)c1ccc(cc1)[*:1])c1ccccc1C
CCN(C(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1C C1CC1[*:1] CCN(C(=O)c1ccc(cc1)NC(=O)[*:1])c1ccccc1C
CCN(C)c1ccccc1NC(=O)C(=O)NCc1ccc2ccccc2c1 CCN(C)[*:1] O=C(NCc1ccc2ccccc2c1)C(=O)Nc1ccccc1[*:1]
CCCc1cc(N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)nc(C)[nH+]1 CCC[*:1] Cc1nc(cc([nH+]1)[*:1])N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1
CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)c1cccc(c1)O[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)CO[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)c1cccc(c1)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)c1cccc(c1)OC[*:1]
Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccc(F)cc2)c2cccs2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)[C@@H](CNS(=O)(=O)[*:1])c1cccs1
Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccc(F)cc2)c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)[C@@H](CNS(=O)(=O)c1ccc(F)cc1)[*:1]
Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccc(F)cc2)c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)[*:1])c1ccc(F)cc1
C#CCCCOC(=O)c1cn(CC)nc1C(C)C CC(C)[*:1] C#CCCCOC(=O)c1cn(CC)nc1[*:1]
C#CCCCOC(=O)c1cn(CC)nc1C(C)C C#CC[*:1] CCn1cc(C(=O)OCC[*:1])c(n1)C(C)C
C#CCCCOC(=O)c1cn(CC)nc1C(C)C C#CCCC[*:1] CCn1cc(C(=O)O[*:1])c(n1)C(C)C
C#CCCCOC(=O)c1cn(CC)nc1C(C)C C#CCC[*:1] CCn1cc(C(=O)OC[*:1])c(n1)C(C)C
CC(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1CCCC1(C)C O=C([O-])[*:1] CC(C)N(CCC[*:1])C(=O)N[C@@H]1CCCC1(C)C
CC(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1CCCC1(C)C O=C([O-])CC[*:1] CC(C)N(C[*:1])C(=O)N[C@@H]1CCCC1(C)C
CC(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1CCCC1(C)C O=C([O-])CCC[*:1] CC(C)N(C(=O)N[C@@H]1CCCC1(C)C)[*:1]
CC(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1CCCC1(C)C CC(C)[*:1] CC1(C)CCC[C@H]1NC(=O)N(CCCC(=O)[O-])[*:1]
CC(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1CCCC1(C)C O=C([O-])C[*:1] CC(C)N(CC[*:1])C(=O)N[C@@H]1CCCC1(C)C
Fc1cccc([C@@H](CBr)CC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Fc1cccc(c1)[C@@H](CBr)CC[*:1]
CC(C)OCCC(CO)(CO)[C@@H]1CCS(=O)(=O)C1 CC(C)OCC[*:1] O=S1(=O)CC[C@H](C1)C(CO)(CO)[*:1]
CC(C)OCCC(CO)(CO)[C@@H]1CCS(=O)(=O)C1 CC(C)OC[*:1] O=S1(=O)CC[C@H](C1)C(CO)(CO)C[*:1]
CC(C)OCCC(CO)(CO)[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=S1(=O)CC[C@H](C1)C(CO)(CO)CCO[*:1]
CC(C)OCCC(CO)(CO)[C@@H]1CCS(=O)(=O)C1 CC(C)O[*:1] O=S1(=O)CC[C@H](C1)C(CO)(CO)CC[*:1]
CN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 CN(C)C(=O)C[*:1] CN(C)C(=O)c1cc(ccc1Cl)NC(=O)c1ccccc1S[*:1]
CN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CN(C)C(=O)c1cc(ccc1Cl)NC(=O)c1ccccc1SC[*:1]
CN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)c(c1)[*:1]
CN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 CN(C)C(=O)CS[*:1] CN(C)C(=O)c1cc(ccc1Cl)NC(=O)c1ccccc1[*:1]
Cc1csc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)c1 c1coc(c1)[*:1] Cc1csc(c1)C(=O)NC[C@H](N1CCOCC1)[*:1]
Cc1csc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)c1 Cc1csc(c1)[*:1] O=C(NC[C@H](c1ccco1)N1CCOCC1)[*:1]
Cc1csc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1csc(c1)C(=O)NC[C@H](c1ccco1)[*:1]
Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1 Cc1nn(C)cc1[*:1] O=S(=O)(Nc1ccc(cc1)Oc1cccnc1)[*:1]
Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1 c1cncc(c1)[*:1] Cc1nn(C)cc1S(=O)(=O)Nc1ccc(cc1)O[*:1]
Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1 c1cncc(c1)O[*:1] Cc1nn(C)cc1S(=O)(=O)Nc1ccc(cc1)[*:1]
CN(CCOc1ccccc1F)C(=O)CS(=O)(=O)c1ccccn1 Fc1ccccc1O[*:1] CN(CC[*:1])C(=O)CS(=O)(=O)c1ccccn1
CN(CCOc1ccccc1F)C(=O)CS(=O)(=O)c1ccccn1 c1ccc(nc1)[*:1] CN(CCOc1ccccc1F)C(=O)CS(=O)(=O)[*:1]
CN(CCOc1ccccc1F)C(=O)CS(=O)(=O)c1ccccn1 Fc1ccccc1[*:1] CN(CCO[*:1])C(=O)CS(=O)(=O)c1ccccn1
Cc1cc(C)cc(C(=O)NCCn2nc(-c3ccncc3)ccc2=O)c1 c1cc(ccn1)[*:1] Cc1cc(C)cc(c1)C(=O)NCCn1nc(ccc1=O)[*:1]
Cc1cc(C)cc(C(=O)NCCn2nc(-c3ccncc3)ccc2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCn1nc(ccc1=O)-c1ccncc1)[*:1]
COC(=O)c1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc(C)[nH+]c1C Cn1cc(cn1)C(=O)N[*:1] COC(=O)c1c(cc(C)[nH+]c1C)N1CCC(CC1)C[*:1]
COC(=O)c1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc(C)[nH+]c1C COC(=O)[*:1] Cc1cc(c(c(C)[nH+]1)[*:1])N1CCC(CC1)CNC(=O)c1cnn(C)c1
COC(=O)c1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc(C)[nH+]c1C Cn1cc(cn1)[*:1] COC(=O)c1c(cc(C)[nH+]c1C)N1CCC(CC1)CNC(=O)[*:1]
CCCc1oncc1C(=O)N1CCC([C@H](O)CC(C)C)CC1 CC(C)[*:1] CCCc1oncc1C(=O)N1CCC(CC1)[C@H](O)C[*:1]
CCCc1oncc1C(=O)N1CCC([C@H](O)CC(C)C)CC1 CC(C)C[*:1] CCCc1oncc1C(=O)N1CCC(CC1)[C@H](O)[*:1]
CCCc1oncc1C(=O)N1CCC([C@H](O)CC(C)C)CC1 CCC[*:1] CC(C)C[C@@H](O)C1CCN(CC1)C(=O)c1cnoc1[*:1]
CCCc1oncc1C(=O)N1CCC([C@H](O)CC(C)C)CC1 CC(C)C[C@@H](O)[*:1] CCCc1oncc1C(=O)N1CCC(CC1)[*:1]
CCC(CC)[C@@H](C)NC(=O)[C@](C)([NH3+])CC CCC(CC)[*:1] CC[C@@](C)([NH3+])C(=O)N[C@H](C)[*:1]
COc1ccc(Cl)cc1-c1cc(NC(=O)c2cccnc2)[nH]n1 c1cncc(c1)[*:1] COc1ccc(Cl)cc1-c1cc(NC(=O)[*:1])[nH]n1
NC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2C=O)CC1 NC(=O)[*:1] O=Cc1cc(Cl)ccc1OCC(=O)N1CCC(CC1)[*:1]
COc1ccc(CCC(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])cc1 C1CCN(C1)[*:1] COc1ccc(cc1)CCC(=O)Nc1ccc(cc1C(=O)[O-])[*:1]
COc1ccc(CCC(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)CCC(=O)Nc1ccc(cc1[*:1])N1CCCC1
COc1ccc(CCC(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])Nc1ccc(cc1C(=O)[O-])N1CCCC1
COc1ccc(CCC(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])cc1 COc1ccc(cc1)C[*:1] O=C(C[*:1])Nc1ccc(cc1C(=O)[O-])N1CCCC1
Cc1n[nH]c(C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 Cc1n[nH]c(n1)[*:1] O=C([C@@H]1COc2ccccc2O1)N1CCC(CC1)[*:1]
COC(=O)c1sc(NC(=O)COc2cccc(C)c2)nc1C Cc1cccc(c1)[*:1] COC(=O)c1sc(nc1C)NC(=O)CO[*:1]
COC(=O)c1sc(NC(=O)COc2cccc(C)c2)nc1C COC(=O)[*:1] Cc1cccc(c1)OCC(=O)Nc1nc(C)c(s1)[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)Cc1ccccc1)n2C[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1cccc2ccccc12 c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)C[*:1])n2Cc1cccc2ccccc12
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1cccc2ccccc12 c1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)[*:1])n2Cc1cccc2ccccc12
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1cccc2ccccc12 c1ccc2c(cccc2c1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)Cc1ccccc1)n2[*:1]
N#C[C@@H](NC(=O)c1c[nH]c2nccc(Cl)c12)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] N#C[C@@H](NC(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
Cc1nnc(CSc2cc(C(N)=O)c3ccccc3n2)o1 NC(=O)[*:1] Cc1nnc(CSc2cc(c3ccccc3n2)[*:1])o1
Cc1nnc(CSc2cc(C(N)=O)c3ccccc3n2)o1 Cc1nnc(C[*:1])o1 NC(=O)c1cc(nc2ccccc12)S[*:1]
Cc1nnc(CSc2cc(C(N)=O)c3ccccc3n2)o1 Cc1nnc(o1)[*:1] NC(=O)c1cc(nc2ccccc12)SC[*:1]
Cc1ccc(NC(=O)NC2(C(=O)[O-])CC2)c(C)n1 O=C([O-])C1(CC1)[*:1] Cc1ccc(NC(=O)N[*:1])c(C)n1
Cc1ccc(NC(=O)NC2(C(=O)[O-])CC2)c(C)n1 O=C([O-])[*:1] Cc1ccc(NC(=O)NC2(CC2)[*:1])c(C)n1
C[C@@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)C(=O)[*:1]
C[C@@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] C[C@@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)[*:1]
CCOc1cc(CNc2nnnn2CC)cc(Br)c1OC CCO[*:1] CCn1nnnc1NCc1cc(Br)c(OC)c(c1)[*:1]
CCOc1cc(CNc2nnnn2CC)cc(Br)c1OC CCn1nnnc1[*:1] CCOc1cc(cc(Br)c1OC)CN[*:1]
Cc1cccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc2OCCOc2c1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)Oc1ccccc1C(=O)NCc1ccccc1 CC(C)[*:1] O=C(NCc1ccccc1)c1ccccc1O[*:1]
CC(C)Oc1ccccc1C(=O)NCc1ccccc1 CC(C)O[*:1] O=C(NCc1ccccc1)c1ccccc1[*:1]
CC(C)Oc1ccccc1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC(C)Oc1ccccc1C(=O)NC[*:1]
N#Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)nc1 C1CCC(C1)O[*:1] N#Cc1ccc(nc1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
N#Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)nc1 C1CCC(C1)[*:1] N#Cc1ccc(nc1)C(=O)N[C@H]1CCCC[C@H]1O[*:1]
COc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccccc2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)C(=O)n1nc(nc1NCc1ccccc1)[*:1]
COc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)n1nc(nc1NC[*:1])-c1cccnc1
COc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccccc2)cc1 c1ccc(cc1)CN[*:1] COc1ccc(cc1)C(=O)n1nc(nc1[*:1])-c1cccnc1
COc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)n1nc(nc1N[*:1])-c1cccnc1
COc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(n1nc(nc1NCc1ccccc1)-c1cccnc1)[*:1]
CC(C)[C@H](NC(=O)c1cc2cccnn2n1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1cc2cccnn2n1)C(=O)N[*:1]
CC(C)[C@H](NC(=O)c1cc2cccnn2n1)C(=O)Nc1ccccc1 CC(C)[*:1] O=C(N[C@H](C(=O)Nc1ccccc1)[*:1])c1cc2cccnn2n1
CCN(CC)S(=O)(=O)c1ccc(NCc2ccco2)nc1 c1coc(c1)CN[*:1] CCN(CC)S(=O)(=O)c1ccc(nc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(NCc2ccco2)nc1 c1coc(c1)C[*:1] CCN(CC)S(=O)(=O)c1ccc(nc1)N[*:1]
CCN(CC)S(=O)(=O)c1ccc(NCc2ccco2)nc1 c1coc(c1)[*:1] CCN(CC)S(=O)(=O)c1ccc(nc1)NC[*:1]
Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2F)CC(=O)N3)c1 Cc1cccc(c1)[*:1] O=C1C[C@@H](C(=O)Nc2ccccc2F)c2c(nc([nH]c2=O)SC[*:1])N1
Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2F)CC(=O)N3)c1 Cc1cccc(c1)CS[*:1] O=C1C[C@@H](C(=O)Nc2ccccc2F)c2c(nc([nH]c2=O)[*:1])N1
Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2F)CC(=O)N3)c1 O=C(Nc1ccccc1F)[*:1] Cc1cccc(c1)CSc1nc2NC(=O)C[C@@H](c2c(=O)[nH]1)[*:1]
Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2F)CC(=O)N3)c1 Fc1ccccc1[*:1] Cc1cccc(c1)CSc1nc2NC(=O)C[C@@H](C(=O)N[*:1])c2c(=O)[nH]1
Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2F)CC(=O)N3)c1 Cc1cccc(c1)C[*:1] O=C1C[C@@H](C(=O)Nc2ccccc2F)c2c(nc([nH]c2=O)S[*:1])N1
C/C(=N\c1ncccc1C)c1c(-c2ccccc2)nn(-c2ccc(F)cc2)c1O Cc1cccnc1[*:1] CC(=N[*:1])c1c(nn(-c2ccc(F)cc2)c1O)-c1ccccc1
C/C(=N\c1ncccc1C)c1c(-c2ccccc2)nn(-c2ccc(F)cc2)c1O Fc1ccc(cc1)[*:1] C/C(=N\c1ncccc1C)c1c(nn(c1O)[*:1])-c1ccccc1
C/C(=N\c1ncccc1C)c1c(-c2ccccc2)nn(-c2ccc(F)cc2)c1O c1ccc(cc1)[*:1] C/C(=N\c1ncccc1C)c1c(nn(-c2ccc(F)cc2)c1O)[*:1]
Cc1ccnc(NNC(=O)c2cccc(OCC(C)C)c2)c1 CC(C)[*:1] Cc1ccnc(c1)NNC(=O)c1cccc(c1)OC[*:1]
Cc1ccnc(NNC(=O)c2cccc(OCC(C)C)c2)c1 CC(C)C[*:1] Cc1ccnc(c1)NNC(=O)c1cccc(c1)O[*:1]
Cc1ccnc(NNC(=O)c2cccc(OCC(C)C)c2)c1 Cc1ccnc(c1)[*:1] CC(C)COc1cccc(c1)C(=O)NN[*:1]
Cc1ccnc(NNC(=O)c2cccc(OCC(C)C)c2)c1 CC(C)CO[*:1] Cc1ccnc(c1)NNC(=O)c1cccc(c1)[*:1]
CC(C)(C)C(=O)NCCC(=O)Nc1cc(Br)ccc1Br CC(C)(C)[*:1] O=C(CCNC(=O)[*:1])Nc1cc(Br)ccc1Br
Clc1cccnc1-n1ccc(NCc2cnc(C3CCC3)s2)n1 C1CC(C1)[*:1] Clc1cccnc1-n1ccc(n1)NCc1cnc(s1)[*:1]
Clc1cccnc1-n1ccc(NCc2cnc(C3CCC3)s2)n1 Clc1cccnc1[*:1] c1cn(nc1NCc1cnc(s1)C1CCC1)[*:1]
C#Cc1cccc(NC(=O)CN/C(NCCC)=[NH+]\C)c1 CCC[*:1] C#Cc1cccc(c1)NC(=O)CN/C(N[*:1])=[NH+]\C
CC(C)[C@H](CO)NC(=O)CC1CC1 C1CC1C[*:1] CC(C)[C@H](CO)NC(=O)[*:1]
CC(C)[C@H](CO)NC(=O)CC1CC1 CC(C)[*:1] O=C(CC1CC1)N[C@@H](CO)[*:1]
CC(C)[C@H](CO)NC(=O)CC1CC1 C1CC1[*:1] CC(C)[C@H](CO)NC(=O)C[*:1]
C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cccc(Br)c1 CS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)C(=O)c1cccc(Br)c1
C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cccc(Br)c1 CS(=O)(=O)C[*:1] C[C@H](N(C)C(=O)c1cccc(Br)c1)[*:1]
COC(=O)C1=C(C(=O)OC)[C@H]2C(=CC1)[C@H]1C=C[C@H]3C=C[C@H]2[C@@H]13 COC(=O)[*:1] COC(=O)C1CC=C2[C@H]3C=C[C@H]4C=C[C@@H]([C@@H]34)[C@H]2C=1[*:1]
COC(=O)C1=C(C(=O)OC)[C@H]2C(=CC1)[C@H]1C=C[C@H]3C=C[C@H]2[C@@H]13 COC(=O)[*:1] COC(=O)C1=C(CC=C2[C@H]3C=C[C@H]4C=C[C@@H]([C@@H]34)[C@H]21)[*:1]
Cc1ccc(-c2noc(C[C@](O)(c3ccco3)C(F)(F)F)n2)cc1 Cc1ccc(cc1)[*:1] O[C@@](Cc1nc(no1)[*:1])(c1ccco1)C(F)(F)F
Cc1ccc(-c2noc(C[C@](O)(c3ccco3)C(F)(F)F)n2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1noc(C[C@](O)(c2ccco2)[*:1])n1
Cc1ccc(-c2noc(C[C@](O)(c3ccco3)C(F)(F)F)n2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-c1noc(C[C@](O)(C(F)(F)F)[*:1])n1
CN(Cc1ccccc1F)C(=O)c1cccc(-n2ncc(C#N)c2N)c1 N#Cc1cnn(c1N)[*:1] CN(Cc1ccccc1F)C(=O)c1cccc(c1)[*:1]
CN(Cc1ccccc1F)C(=O)c1cccc(-n2ncc(C#N)c2N)c1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)c1cccc(c1)-n1ncc(C#N)c1N
CN(Cc1ccccc1F)C(=O)c1cccc(-n2ncc(C#N)c2N)c1 Fc1ccccc1C[*:1] CN(C(=O)c1cccc(c1)-n1ncc(C#N)c1N)[*:1]
CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O O=[N+]([O-])c1ccc(cc1)[*:1] CC[C@@H](C)N1C(=O)S/C(=C/c2cn(C[*:1])c3ccccc23)C1=O
CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O O=[N+]([O-])[*:1] CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc(cc3)[*:1])c3ccccc23)C1=O
CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O O=[N+]([O-])c1ccc(cc1)C[*:1] CC[C@@H](C)N1C(=O)S/C(=C/c2cn(c3ccccc23)[*:1])C1=O
CCC[NH+]1CCC(N2CCN(c3cccc(C)[nH+]3)CC2)CC1 Cc1cccc([nH+]1)[*:1] CCC[NH+]1CCC(CC1)N1CCN(CC1)[*:1]
CCC[NH+]1CCC(N2CCN(c3cccc(C)[nH+]3)CC2)CC1 CCC[*:1] Cc1cccc([nH+]1)N1CCN(CC1)C1CC[NH+](CC1)[*:1]
COc1ccc(F)c(NC(=O)N2CCC[C@@H]2c2nncn2CC(C)C)c1 CC(C)[*:1] COc1ccc(F)c(c1)NC(=O)N1CCC[C@@H]1c1nncn1C[*:1]
COc1ccc(F)c(NC(=O)N2CCC[C@@H]2c2nncn2CC(C)C)c1 CC(C)C[*:1] COc1ccc(F)c(c1)NC(=O)N1CCC[C@@H]1c1nncn1[*:1]
CCCNC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21 CCCNC(=O)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2[*:1]
CCCNC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21 CCCNC(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[*:1]
CCCNC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21 CCC[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N[*:1]
CC[C@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)c1 CC[C@H](C)[*:1] Cc1cccc(C)c1O[C@H](C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CC[C@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)c1 Cc1cccc(C)c1[*:1] CC[C@H](C)NC(=O)c1cccc(c1)NC(=O)[C@@H](C)O[*:1]
CC[C@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)c1 CC[C@H](C)NC(=O)[*:1] Cc1cccc(C)c1O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)c1 Cc1cccc(C)c1O[*:1] CC[C@H](C)NC(=O)c1cccc(c1)NC(=O)[C@@H](C)[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 c1cc(co1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12
C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 O=C(N[*:1])c1ccoc1 C[C@@H](C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)[*:1]
Cn1cc(C(=O)Nc2ccn(CC(F)F)n2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)Nc2ccn(CC(F)F)n2)c(n1)[*:1]
Cn1cc(C(=O)Nc2ccn(CC(F)F)n2)c(-c2ccccc2)n1 FC(F)C[*:1] Cn1cc(C(=O)Nc2ccn(n2)[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)Nc2ccn(CC(F)F)n2)c(-c2ccccc2)n1 FC(F)[*:1] Cn1cc(C(=O)Nc2ccn(C[*:1])n2)c(n1)-c1ccccc1
COc1ccc(CC(=O)N2CCO[C@@H](COCc3cccc(C)c3)C2)cc1 COc1ccc(cc1)C[*:1] Cc1cccc(c1)COC[C@H]1CN(CCO1)C(=O)[*:1]
COc1ccc(CC(=O)N2CCO[C@@H](COCc3cccc(C)c3)C2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)CC(=O)N1CCO[C@@H](COC[*:1])C1
COc1ccc(CC(=O)N2CCO[C@@H](COCc3cccc(C)c3)C2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)COC[C@H]1CN(CCO1)C(=O)C[*:1]
COc1ccc(CC(=O)N2CCO[C@@H](COCc3cccc(C)c3)C2)cc1 Cc1cccc(c1)C[*:1] COc1ccc(cc1)CC(=O)N1CCO[C@@H](CO[*:1])C1
COc1ccc(CC(=O)N2CCO[C@@H](COCc3cccc(C)c3)C2)cc1 Cc1cccc(c1)CO[*:1] COc1ccc(cc1)CC(=O)N1CCO[C@H](C1)C[*:1]
Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(C)c3C)n2)cc1C Cc1cccc(c1C)[*:1] Cc1ccc(cc1C)-c1ccc(=O)n(n1)[C@H](C)C(=O)N[*:1]
Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(C)c3C)n2)cc1C Cc1ccc(cc1C)[*:1] Cc1cccc(NC(=O)[C@@H](C)n2nc(ccc2=O)[*:1])c1C
CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ncc(C)s2)cc1 CCOC(=O)N[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ncc(C)s2)cc1 Cc1cnc(s1)[*:1] CCOC(=O)Nc1ccc(cc1)NC(=O)N[C@H](C)[*:1]
Cc1ccc(-c2n[nH]cc2CNCCc2cc(F)ccc2F)o1 Cc1ccc(o1)[*:1] Fc1ccc(F)c(c1)CCNCc1c[nH]nc1[*:1]
COc1ccccc1NC(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C Fc1ccccc1C[*:1] COc1ccccc1NC(=O)c1sc2ncn(c(=O)c2c1C)[*:1]
COc1ccccc1NC(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C Fc1ccccc1[*:1] COc1ccccc1NC(=O)c1sc2ncn(C[*:1])c(=O)c2c1C
COc1ccccc1NC(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C COc1ccccc1[*:1] Cc1c(sc2ncn(Cc3ccccc3F)c(=O)c12)C(=O)N[*:1]
CCOC(=O)c1c(C)nsc1NCCn1cccn1 CCOC(=O)[*:1] Cc1nsc(NCCn2cccn2)c1[*:1]
CCOC(=O)c1c(C)nsc1NCCn1cccn1 c1cnn(c1)[*:1] CCOC(=O)c1c(C)nsc1NCC[*:1]
CCOC(=O)c1c(C)nsc1NCCn1cccn1 c1cnn(c1)C[*:1] CCOC(=O)c1c(C)nsc1NC[*:1]
Cc1noc(COCC(=O)Nc2ncc(Cc3ccccc3F)s2)n1 Fc1ccccc1[*:1] Cc1noc(COCC(=O)Nc2ncc(C[*:1])s2)n1
Cc1noc(COCC(=O)Nc2ncc(Cc3ccccc3F)s2)n1 Cc1noc(C[*:1])n1 O=C(CO[*:1])Nc1ncc(Cc2ccccc2F)s1
Cc1noc(COCC(=O)Nc2ncc(Cc3ccccc3F)s2)n1 Cc1noc(n1)[*:1] O=C(COC[*:1])Nc1ncc(Cc2ccccc2F)s1
Cc1noc(COCC(=O)Nc2ncc(Cc3ccccc3F)s2)n1 Cc1noc(CO[*:1])n1 O=C(C[*:1])Nc1ncc(Cc2ccccc2F)s1
Cc1noc(COCC(=O)Nc2ncc(Cc3ccccc3F)s2)n1 Fc1ccccc1C[*:1] Cc1noc(COCC(=O)Nc2ncc(s2)[*:1])n1
Cc1ccc(OCC(=O)NC2CCCCCC2)c(C[NH3+])n1 C1CCCC(CC1)[*:1] Cc1ccc(OCC(=O)N[*:1])c(C[NH3+])n1
COC(=O)c1[nH]/c(=N\C(=O)CCn2c(C)cc([O-])cc2=O)sc1Cc1ccccc1 COC(=O)[*:1] Cc1cc([O-])cc(=O)n1CCC(=O)/N=c1\[nH]c(c(Cc2ccccc2)s1)[*:1]
COC(=O)c1[nH]/c(=N\C(=O)CCn2c(C)cc([O-])cc2=O)sc1Cc1ccccc1 c1ccc(cc1)C[*:1] COC(=O)c1[nH]/c(=N\C(=O)CCn2c(C)cc([O-])cc2=O)sc1[*:1]
COC(=O)c1[nH]/c(=N\C(=O)CCn2c(C)cc([O-])cc2=O)sc1Cc1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1[nH]/c(=N\C(=O)CCn2c(C)cc([O-])cc2=O)sc1C[*:1]
COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 C[C@@H]1CCCCN1[*:1] COc1cccc(OC)c1C(=O)Nc1ccc(cc1)[*:1]
CCCc1nnc(N2CCC3(CCC(=O)N(CCOC)C3)CC2)s1 CCCc1nnc(s1)[*:1] COCCN1CC2(CCC1=O)CCN(CC2)[*:1]
CCCc1nnc(N2CCC3(CCC(=O)N(CCOC)C3)CC2)s1 COC[*:1] CCCc1nnc(s1)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
CCCc1nnc(N2CCC3(CCC(=O)N(CCOC)C3)CC2)s1 COCC[*:1] CCCc1nnc(s1)N1CCC2(CCC(=O)N(C2)[*:1])CC1
CCCc1nnc(N2CCC3(CCC(=O)N(CCOC)C3)CC2)s1 CCC[*:1] COCCN1CC2(CCC1=O)CCN(CC2)c1nnc(s1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(F)c1 NS(=O)(=O)[*:1] O=C(Cc1cccs1)Nc1ccc(cc1F)[*:1]
NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(F)c1 c1csc(c1)[*:1] NS(=O)(=O)c1ccc(NC(=O)C[*:1])c(F)c1
NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(F)c1 c1csc(c1)C[*:1] NS(=O)(=O)c1ccc(NC(=O)[*:1])c(F)c1
O=C(COC(=O)c1cccs1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl O=S(=O)(N1CCCC1)[*:1] O=C(COC(=O)c1cccs1)Nc1cc(ccc1Cl)[*:1]
O=C(COC(=O)c1cccs1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl c1csc(c1)[*:1] O=C(COC(=O)[*:1])Nc1cc(ccc1Cl)S(=O)(=O)N1CCCC1
O=C(COC(=O)c1cccs1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl O=C(O[*:1])c1cccs1 O=C(C[*:1])Nc1cc(ccc1Cl)S(=O)(=O)N1CCCC1
O=C(COC(=O)c1cccs1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl O=C(OC[*:1])c1cccs1 O=C(Nc1cc(ccc1Cl)S(=O)(=O)N1CCCC1)[*:1]
Cc1ccc([C@H]([NH3+])c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)[C@H]([NH3+])c1n[nH]c(COc2ccc(cc2)[*:1])n1
Cc1ccc([C@H]([NH3+])c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)OCc1nc(n[nH]1)[C@@H]([NH3+])[*:1]
CCc1nnc(NC(=O)N[C@@](C)(COC)c2ccccc2)s1 CCc1nnc(s1)[*:1] COC[C@](C)(NC(=O)N[*:1])c1ccccc1
CCc1nnc(NC(=O)N[C@@](C)(COC)c2ccccc2)s1 COC[*:1] CCc1nnc(NC(=O)N[C@@](C)(c2ccccc2)[*:1])s1
CCc1nnc(NC(=O)N[C@@](C)(COC)c2ccccc2)s1 c1ccc(cc1)[*:1] CCc1nnc(NC(=O)N[C@@](C)(COC)[*:1])s1
O=C(NCc1nnc2ccccn12)N1CCCCC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1nnc2ccccn12)N1CCCCC[C@H]1[*:1]
O[C@H](Cn1ccnc1)c1ccc(F)cc1 c1cn(cn1)[*:1] O[C@H](C[*:1])c1ccc(F)cc1
S=c1n(C[NH+]2CCOCC2)nc(-c2ccccc2Cl)n1-c1ccccc1 c1ccc(cc1)[*:1] S=c1n(C[NH+]2CCOCC2)nc(-c2ccccc2Cl)n1[*:1]
S=c1n(C[NH+]2CCOCC2)nc(-c2ccccc2Cl)n1-c1ccccc1 Clc1ccccc1[*:1] S=c1n(C[NH+]2CCOCC2)nc(n1-c1ccccc1)[*:1]
CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCC(CC1)[NH+]1CCCC1)O[*:1]
CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 CC(C)(C)OC(=O)N[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)[NH+]1CCCC1
O=C(Cn1cnc([N+](=O)[O-])n1)C12CC3CC(CC(C3)C1)C2 O=[N+]([O-])[*:1] O=C(Cn1cnc(n1)[*:1])C12CC3CC(CC(C3)C1)C2
COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Br)cc2)cn1 COc1ccc(cn1)[*:1] O=C(CSc1nncn1[*:1])Nc1ccc(Br)cc1
COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Br)cc2)cn1 Brc1ccc(cc1)[*:1] COc1ccc(cn1)-n1cnnc1SCC(=O)N[*:1]
c1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1CCCC1 C1CCC(C1)C[*:1] c1ccc2c(c1)CCCC[C@@H]2[NH2+][*:1]
c1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1CCCC1 C1CCC(C1)[*:1] c1ccc2c(c1)CCCC[C@@H]2[NH2+]C[*:1]
COC(=O)NCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 COC(=O)NC[*:1] O=C(C[*:1])N1CCC(CC1)c1ccc(cc1)C(F)(F)F
COC(=O)NCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 COC(=O)N[*:1] O=C(CC[*:1])N1CCC(CC1)c1ccc(cc1)C(F)(F)F
COC(=O)NCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 COC(=O)NCC[*:1] O=C(N1CCC(CC1)c1ccc(cc1)C(F)(F)F)[*:1]
COC(=O)NCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] COC(=O)NCCC(=O)N1CCC(CC1)c1ccc(cc1)[*:1]
CCc1ccc(-c2noc(CN3c4cccc5cccc(c45)S3(=O)=O)n2)cc1 CCc1ccc(cc1)[*:1] O=S1(=O)c2cccc3cccc(c23)N1Cc1nc(no1)[*:1]
O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCc3nc(-c4ccccc4)oc3C2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(F)cc1)N1CCC(CC1)C(=O)N1CCc2nc(oc2C1)[*:1]
O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCc3nc(-c4ccccc4)oc3C2)CC1 Fc1ccc(cc1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCc2nc(oc2C1)-c1ccccc1
COCCOC[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 COCC[*:1] O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H](CO[*:1])C1
COCCOC[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 COCCOC[*:1] O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@H](C1)[*:1]
COCCOC[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] COCCOC[C@H]1CCN(C1)c1ccc(Cl)cc1[*:1]
COCCOC[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 COC[*:1] O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H](COC[*:1])C1
COCCOC[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 COCCO[*:1] O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@H](C1)C[*:1]
CCN1CCN(Cc2nc(C)cc(-c3ccccc3)n2)C(=O)C1=O c1ccc(cc1)[*:1] CCN1CCN(Cc2nc(C)cc(n2)[*:1])C(=O)C1=O
Cc1cc(N(C)CC(=O)N(C)C)c([C@@H](C)O)cc1F CN(C)C(=O)[*:1] Cc1cc(c(cc1F)[C@@H](C)O)N(C)C[*:1]
Cc1cc(N(C)CC(=O)N(C)C)c([C@@H](C)O)cc1F CN(C)C(=O)C[*:1] Cc1cc(c(cc1F)[C@@H](C)O)N(C)[*:1]
Cc1cc(N(C)CC(=O)N(C)C)c([C@@H](C)O)cc1F C[C@@H](O)[*:1] Cc1cc(c(cc1F)[*:1])N(C)CC(=O)N(C)C
CCOC(=O)c1cnc(C(F)(F)C(F)F)nc1-c1ccccc1C CCOC(=O)[*:1] Cc1ccccc1-c1nc(ncc1[*:1])C(F)(F)C(F)F
CCOC(=O)c1cnc(C(F)(F)C(F)F)nc1-c1ccccc1C FC(F)C(F)(F)[*:1] CCOC(=O)c1cnc(nc1-c1ccccc1C)[*:1]
CCOC(=O)c1cnc(C(F)(F)C(F)F)nc1-c1ccccc1C Cc1ccccc1[*:1] CCOC(=O)c1cnc(nc1[*:1])C(F)(F)C(F)F
CCOC(=O)c1cnc(C(F)(F)C(F)F)nc1-c1ccccc1C FC(F)[*:1] CCOC(=O)c1cnc(nc1-c1ccccc1C)C(F)(F)[*:1]
C[C@@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)Nc1ccc(Cl)cc1 NC(=O)[*:1] C[C@@H](Oc1ccc(Cl)cc1[*:1])C(=O)Nc1ccc(Cl)cc1
C[C@@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)N[*:1]
CC(C)(C)c1ccc(C(=O)NCCCn2nc(-c3cccnc3)ccc2=O)cc1 c1cncc(c1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NCCCn1nc(ccc1=O)[*:1]
CC(C)(C)c1ccc(C(=O)NCCCn2nc(-c3cccnc3)ccc2=O)cc1 CC(C)(C)[*:1] O=C(NCCCn1nc(ccc1=O)-c1cccnc1)c1ccc(cc1)[*:1]
CCCN[C@H](c1cccc(F)c1)[C@](C)(CC)[NH+](C)C CCC[*:1] CC[C@@](C)([C@H](N[*:1])c1cccc(F)c1)[NH+](C)C
CCCN[C@H](c1cccc(F)c1)[C@](C)(CC)[NH+](C)C CCCN[*:1] CC[C@@](C)([C@@H](c1cccc(F)c1)[*:1])[NH+](C)C
CC(C)[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1nc(C2CC2)no1 CC(C)[*:1] c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](c1nc(no1)C1CC1)[*:1]
CC(C)[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1nc(no1)[*:1]
C[C@@H]1C[NH2+]CC[C@H]1N1C(=O)C[C@@](C)(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H]1C[NH2+]CC[C@H]1N1C(=O)C[C@@](C)(C1=O)[*:1]
CCO[C@H]1CCCN(C(=O)Nc2cc(OC)cc(OC)c2)C1 CCO[*:1] COc1cc(cc(c1)OC)NC(=O)N1CCC[C@@H](C1)[*:1]
O=C(CNc1ccccc1C(=O)N1CCOCC1)NCc1cccs1 c1csc(c1)[*:1] O=C(CNc1ccccc1C(=O)N1CCOCC1)NC[*:1]
O=C(CNc1ccccc1C(=O)N1CCOCC1)NCc1cccs1 O=C(N1CCOCC1)[*:1] O=C(CNc1ccccc1[*:1])NCc1cccs1
O=C(CNc1ccccc1C(=O)N1CCOCC1)NCc1cccs1 c1csc(c1)C[*:1] O=C(CNc1ccccc1C(=O)N1CCOCC1)N[*:1]
C[C@@H](NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccncc1 FC(F)(F)[*:1] C[C@@H](NC(=O)N[C@H]1CCC[C@H](C1)[*:1])c1ccncc1
C[C@@H](NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)N[C@H]1CCC[C@@H](C1)C(F)(F)F)[*:1]
O=[N+]([O-])c1cccc(-c2ccc(O)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1O)-c1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(-c2ccc(O)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cccc(c1)-c1ccc(O)c(c1)[*:1]
O=C(NCC1(O)CCCCC1)c1cc(N2CCNC2=O)ccc1F OC1(CCCCC1)C[*:1] O=C(N[*:1])c1cc(ccc1F)N1CCNC1=O
O=C(NCC1(O)CCCCC1)c1cc(N2CCNC2=O)ccc1F O=C1NCCN1[*:1] O=C(NCC1(O)CCCCC1)c1cc(ccc1F)[*:1]
O=C(NCC1(O)CCCCC1)c1cc(N2CCNC2=O)ccc1F OC1(CCCCC1)[*:1] O=C(NC[*:1])c1cc(ccc1F)N1CCNC1=O
COc1ccc(CCNC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1 COc1ccc(cc1)CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1cc(ncn1)-n1cccn1
COc1ccc(CCNC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1 c1cnn(c1)[*:1] COc1ccc(cc1)CCNC(=O)[C@H]1CCCN(C1)c1cc(ncn1)[*:1]
COc1ccc(CCNC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)c1cc(ncn1)-n1cccn1
COc1ccc(CCNC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1cc(ncn1)-n1cccn1
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] N#CC1=C(N)OC2C[C@H](CC(=O)C=2[C@H]1[*:1])c1ccccc1
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 c1ccc(cc1)[*:1] N#CC1=C(N)OC2C[C@@H](CC(=O)C=2[C@@H]1c1cccc(F)c1)[*:1]
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(cc1)-c1ccc(cc1)[*:1]
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Cc3cccs3)cc2)CC1 c1csc(c1)C[*:1] CC[NH+]1CCN(CC1)C(=O)Cc1ccc(cc1)NC(=O)[*:1]
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Cc3cccs3)cc2)CC1 c1csc(c1)[*:1] CC[NH+]1CCN(CC1)C(=O)Cc1ccc(cc1)NC(=O)C[*:1]
CC(C)(C)NC(=O)CSc1ncc(CO)n1Cc1ccccc1 CC(C)(C)[*:1] O=C(CSc1ncc(CO)n1Cc1ccccc1)N[*:1]
CC(C)(C)NC(=O)CSc1ncc(CO)n1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(C)NC(=O)CSc1ncc(CO)n1[*:1]
CC(C)(C)NC(=O)CSc1ncc(CO)n1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)CSc1ncc(CO)n1C[*:1]
CC(C)(C)NC(=O)CSc1ncc(CO)n1Cc1ccccc1 CC(C)(C)NC(=O)[*:1] OCc1cnc(SC[*:1])n1Cc1ccccc1
O=C([O-])c1ccc(COc2cccc(Cl)c2Cl)o1 O=C([O-])[*:1] Clc1cccc(OCc2ccc(o2)[*:1])c1Cl
Cc1csc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)NC(=O)NC1CC[NH+](CC1)[*:1]
Cc1csc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)NC1CC[NH+](CC1)C[*:1]
Cc1csc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 Cc1csc(n1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)N[*:1]
O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(COC(=O)CSc1ccc2ccccc2c1)N[*:1]
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 CCO[*:1] O=C1CCSc2ccc(cc2N1)S(=O)(=O)Nc1ccc(cc1)[*:1]
C[C@@H](CNC(=O)N(C)Cc1ccncc1)N1CCc2ccccc21 c1cc(ccn1)C[*:1] C[C@@H](CNC(=O)N(C)[*:1])N1CCc2ccccc21
C[C@@H](CNC(=O)N(C)Cc1ccncc1)N1CCc2ccccc21 c1cc(ccn1)[*:1] C[C@@H](CNC(=O)N(C)C[*:1])N1CCc2ccccc21
COc1cccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(CC1)[*:1]
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 O=C([O-])[*:1] O=C([C@H]1CCCC[C@H]1[*:1])N1CCN(CC1)C1CCCCC1
CC(C)n1ncc2c(C(=O)N(C)C[C@H](O)C3CC3)cc(C3CC3)nc21 C1CC1[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)N(C)C[C@H](O)C1CC1
CC(C)n1ncc2c(C(=O)N(C)C[C@H](O)C3CC3)cc(C3CC3)nc21 CC(C)[*:1] CN(C[C@H](O)C1CC1)C(=O)c1cc(nc2c1cnn2[*:1])C1CC1
CC(C)n1ncc2c(C(=O)N(C)C[C@H](O)C3CC3)cc(C3CC3)nc21 C1CC1[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)N(C)C[C@H](O)[*:1]
COc1cccc(-c2cc(C3(C(=O)N[C@@H]4CCCC[C@H]4C)CC3)no2)c1 COc1cccc(c1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)C1(CC1)c1cc(on1)[*:1]
CC(C)[C@H](NC(=O)[C@H](C)NC(N)=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)[C@H](NC(=O)[C@H](C)NC(N)=O)c1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)[C@H](C)NC(N)=O)c1ccc(C(C)(C)C)cc1 CC(C)[*:1] C[C@H](NC(N)=O)C(=O)N[C@H](c1ccc(cc1)C(C)(C)C)[*:1]
CC(C)[C@H](NC(=O)[C@H](C)NC(N)=O)c1ccc(C(C)(C)C)cc1 C[C@H](NC(N)=O)[*:1] CC(C)[C@H](NC(=O)[*:1])c1ccc(cc1)C(C)(C)C
CC(C)[C@H](NC(=O)[C@H](C)NC(N)=O)c1ccc(C(C)(C)C)cc1 NC(=O)N[*:1] CC(C)[C@H](NC(=O)[C@H](C)[*:1])c1ccc(cc1)C(C)(C)C
CC(C)(C)c1cc2nc(C(F)(F)F)cc(N3CCN(C(=O)c4ccccc4)CC3)n2n1 FC(F)(F)[*:1] CC(C)(C)c1cc2nc(cc(N3CCN(CC3)C(=O)c3ccccc3)n2n1)[*:1]
CC(C)(C)c1cc2nc(C(F)(F)F)cc(N3CCN(C(=O)c4ccccc4)CC3)n2n1 CC(C)(C)[*:1] O=C(c1ccccc1)N1CCN(CC1)c1cc(nc2cc(nn12)[*:1])C(F)(F)F
CC(C)(C)c1cc2nc(C(F)(F)F)cc(N3CCN(C(=O)c4ccccc4)CC3)n2n1 c1ccc(cc1)[*:1] CC(C)(C)c1cc2nc(cc(N3CCN(CC3)C(=O)[*:1])n2n1)C(F)(F)F
C=CCOc1cccc(NC(=O)CNc2c(C)cccc2C)c1 C=CCO[*:1] Cc1cccc(C)c1NCC(=O)Nc1cccc(c1)[*:1]
C=CCOc1cccc(NC(=O)CNc2c(C)cccc2C)c1 C=CC[*:1] Cc1cccc(C)c1NCC(=O)Nc1cccc(c1)O[*:1]
COc1cc(-c2ccc(NC(=O)CCC(=O)[O-])c(OC)c2)ccc1N O=C([O-])CC[*:1] COc1cc(ccc1N)-c1ccc(NC(=O)[*:1])c(c1)OC
COc1cc(-c2ccc(NC(=O)CCC(=O)[O-])c(OC)c2)ccc1N O=C([O-])C[*:1] COc1cc(ccc1N)-c1ccc(NC(=O)C[*:1])c(c1)OC
COc1cc(-c2ccc(NC(=O)CCC(=O)[O-])c(OC)c2)ccc1N O=C([O-])CCC(=O)N[*:1] COc1cc(ccc1N)-c1ccc(c(c1)OC)[*:1]
COc1cc(-c2ccc(NC(=O)CCC(=O)[O-])c(OC)c2)ccc1N O=C([O-])[*:1] COc1cc(ccc1N)-c1ccc(NC(=O)CC[*:1])c(c1)OC
COc1cccc(C(=O)/C=C2\NCCc3cc(OC)c(OC)cc32)c1 COc1cccc(c1)[*:1] COc1cc2CCN/C(=C\C(=O)[*:1])c2cc1OC
CCc1cc(N2CCC(O)(C(=O)[O-])CC2)nc(N2CCOCC2)n1 O=C([O-])[*:1] CCc1cc(nc(n1)N1CCOCC1)N1CCC(O)(CC1)[*:1]
CCc1cc(N2CCC(O)(C(=O)[O-])CC2)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] CCc1cc(nc(n1)[*:1])N1CCC(O)(CC1)C(=O)[O-]
CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1C Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)Cc1ccccc1C
Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2C)C2CC2)n(C)n1 C1CC1[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2C)[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2C)C2CC2)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1ccccc1[C@H](NC(=O)C(=O)N[*:1])C1CC1
Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2C)C2CC2)n(C)n1 Cc1ccccc1[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](C2CC2)[*:1])n(C)n1
O=C(COC(=O)c1ccccc1Br)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(COC(=O)c1ccccc1Br)Nc1cccc(c1)[*:1]
O=C(COC(=O)c1ccccc1Br)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 Brc1ccccc1[*:1] O=C(COC(=O)[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCC1
Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)[O-])CC(=O)N2 O=C([O-])[*:1] Nc1nc(nc2NC(=O)C[C@@H](c12)[*:1])N1CCCCC1
Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)[O-])CC(=O)N2 C1CCN(CC1)[*:1] Nc1nc(nc2NC(=O)C[C@@H](C(=O)[O-])c12)[*:1]
Cc1ccc([C@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)Cc1cccc(c1)C(F)(F)F)[*:1]
Cc1ccc([C@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)Cc1cccc(c1)[*:1]
CC(C)CC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 C1CCC(CC1)C[*:1] CC(C)CC(=O)C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CC(C)CC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 CC(C)[*:1] O=C(C[*:1])C(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1
CC(C)CC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 C1CCC(CC1)[*:1] CC(C)CC(=O)C(=O)N[C@@H]1CC(=O)N(C1)C[*:1]
CC(C)CC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 CC(C)C[*:1] O=C(N[C@@H]1CC(=O)N(CC2CCCCC2)C1)C(=O)[*:1]
Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)c1 O=C(C[*:1])N1CCCCCC1 Cc1ccc(C)c(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)c1 O=C(N1CCCCCC1)[*:1] Cc1ccc(C)c(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1])N1CCCCCC1
Cc1cc(C)n(C[C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)n1 Fc1ccc(c(F)c1)[*:1] Cc1cc(C)n(C[C@H](C)NC(=O)[C@H]2C[C@H]2[*:1])n1
Cc1cc(C)n(C[C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F
Cc1cc(C)n(C[C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)[*:1]
CCC1(CC)[C@@H](OC)C[C@H]1N(C)c1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 CC(=O)N1CCN(CC1)[*:1] CCC1(CC)[C@H](C[C@H]1N(C)c1cc[nH+]c(c1)C[*:1])OC
CC(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCCCC1=O CC(C)C[*:1] O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)[*:1]
CC(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCCCC1=O CC(C)[*:1] O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)C[*:1]
O=C1C[C@@H](C(=O)N2CCCc3ncccc32)CN1c1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCCc2ncccc21
CC(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)cc1 CC(=O)[*:1] Cc1cc2ccccc2n2c(nnc12)SCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1cc2ccccc2n2c(nnc12)SCC(=O)N[*:1]
COc1ccc(Cl)c2c1N(S(=O)(=O)c1cccnc1)CCC2 c1cncc(c1)[*:1] COc1ccc(Cl)c2CCCN(c12)S(=O)(=O)[*:1]
COC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2csc(C)n2)c[nH]1 COC(=O)[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
COC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2csc(C)n2)c[nH]1 Cc1nc(cs1)[*:1] COC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cc(c[nH]1)[*:1]
CCCCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] CCC[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc2C1)NC[*:1]
CCCCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] CCCCN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCc2ccccc2C1
CCCCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCCNc1ncnc(c1[*:1])N1CCc2ccccc2C1
CCCCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] CCCC[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc2C1)N[*:1]
Cc1ccc(OCCCSC(C)C)cc1 CC(C)S[*:1] Cc1ccc(cc1)OCCC[*:1]
Cc1ccc(OCCCSC(C)C)cc1 CC(C)SC[*:1] Cc1ccc(cc1)OCC[*:1]
Cc1ccc(OCCCSC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)OCCCS[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N[C@@H](C)[*:1]
CCn1nc(C)c(C[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)c1C CCn1nc(C)c(c1C)[*:1] Cc1ccccc1-c1nn(cc1C[NH2+]C[*:1])-c1ccc(F)cc1F
CCn1nc(C)c(C[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)c1C Fc1ccc(c(F)c1)[*:1] CCn1nc(C)c(C[NH2+]Cc2cn(nc2-c2ccccc2C)[*:1])c1C
CCn1nc(C)c(C[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)c1C Cc1ccccc1[*:1] CCn1nc(C)c(C[NH2+]Cc2cn(nc2[*:1])-c2ccc(F)cc2F)c1C
O=C(Cc1csc(-c2cccc(F)c2)n1)N1CCc2cc(F)ccc2C1 Fc1cccc(c1)[*:1] O=C(Cc1csc(n1)[*:1])N1CCc2cc(F)ccc2C1
Cc1cc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCO4)CC2)no1 Cc1cc(C[*:1])no1 O=C(Nc1ccc2OCCc2c1)C(=O)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCO4)CC2)no1 Cc1cc(no1)[*:1] O=C(Nc1ccc2OCCc2c1)C(=O)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCO4)CC2)no1 c1cc2OCCc2cc1[*:1] Cc1cc(CN2CCN(CC2)C(=O)C(=O)N[*:1])no1
Cc1ccc(-c2nsc(NC(=O)[C@H]3CCO[C@@H]3C)n2)s1 Cc1ccc(s1)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1nc(ns1)[*:1]
COc1ccc(CN(C(=O)Cc2cccc3ccccc23)[C@H]2CCS(=O)(=O)C2)cc1OC c1ccc2c(cccc2c1)[*:1] COc1ccc(cc1OC)CN(C(=O)C[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(CN(C(=O)Cc2cccc3ccccc23)[C@H]2CCS(=O)(=O)C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(Cc1cccc2ccccc12)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCOc1cc2c(cc1/C=C\C([O-])=N\S(C)(=O)=O)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(/C=C\C([O-])=N\S(C)(=O)=O)cc2O1)[*:1]
COC[C@@H](NC(=O)C(=O)Nc1ccsc1)c1ccc(F)c(F)c1 COC[*:1] O=C(Nc1ccsc1)C(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COC[C@@H](NC(=O)C(=O)Nc1ccsc1)c1ccc(F)c(F)c1 c1cc(cs1)[*:1] COC[C@@H](NC(=O)C(=O)N[*:1])c1ccc(F)c(F)c1
C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O FC(F)(F)[*:1] C[C@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1ccccc1F
C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O Fc1ccccc1[*:1] C[C@]1(NC(=O)N(CC(=O)NCC(F)(F)F)C1=O)[*:1]
C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O FC(F)(F)C[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1F
C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O O=C(NCC(F)(F)F)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1F
Cc1noc(C)c1COc1ccc(CC(=O)NCc2cccnc2)cc1 c1cncc(c1)[*:1] Cc1noc(C)c1COc1ccc(cc1)CC(=O)NC[*:1]
Cc1noc(C)c1COc1ccc(CC(=O)NCc2cccnc2)cc1 Cc1noc(C)c1C[*:1] O=C(Cc1ccc(cc1)O[*:1])NCc1cccnc1
Cc1noc(C)c1COc1ccc(CC(=O)NCc2cccnc2)cc1 c1cncc(c1)C[*:1] Cc1noc(C)c1COc1ccc(cc1)CC(=O)N[*:1]
Cc1noc(C)c1COc1ccc(CC(=O)NCc2cccnc2)cc1 Cc1noc(C)c1[*:1] O=C(Cc1ccc(cc1)OC[*:1])NCc1cccnc1
CC(=O)Nc1cccc(OCC#CCNC(=O)c2c(F)cccc2F)c1 CC(=O)N[*:1] O=C(NCC#CCOc1cccc(c1)[*:1])c1c(F)cccc1F
CC(=O)Nc1cccc(OCC#CCNC(=O)c2c(F)cccc2F)c1 Fc1cccc(F)c1[*:1] CC(=O)Nc1cccc(c1)OCC#CCNC(=O)[*:1]
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1C[C@H]2CC[C@@H]1C2 c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1C[C@H]2CC[C@@H]1C2 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
CN(Cc1ncnn1C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 Cn1ncnc1C[*:1] CN(C(=O)[C@@H]1CC(=O)N(C1)CC(F)(F)F)[*:1]
CN(Cc1ncnn1C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] CN(Cc1ncnn1C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CN(Cc1ncnn1C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] CN(Cc1ncnn1C)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CN(Cc1ncnn1C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 Cn1ncnc1[*:1] CN(C[*:1])C(=O)[C@@H]1CC(=O)N(C1)CC(F)(F)F
C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)c1nnc(o1)[*:1]
C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)c1nnc(-c2ccccc2)o1 C1CN(CCO1)[*:1] C[C@@H](Sc1nnc(n1-c1ccccc1)[*:1])c1nnc(o1)-c1ccccc1
C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(N2CCOCC2)n1[*:1])c1nnc(o1)-c1ccccc1
CCCCO[C@H](C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCCCO[C@H](C)C(=O)Nc1ccc(F)c(c1)[*:1]
CCCCO[C@H](C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CCCCO[C@H](C)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)[*:1]
CCCCO[C@H](C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CCCC[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C
CCCCO[C@H](C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CCCCO[*:1] C[C@H](C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C)[*:1]
CCCCO[C@H](C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CCC[*:1] C[C@@H](OC[*:1])C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C
Cc1cnc(C(=O)N(C)CC2CCCCC2)cn1 C1CCC(CC1)[*:1] Cc1cnc(cn1)C(=O)N(C)C[*:1]
CCOC(=O)c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 CCOC(=O)[*:1] O=c1[nH]c(nc2sc3CCCCc3c12)-c1ccc(cc1)[*:1]
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cncc(F)c1 Fc1cncc(c1)[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cncc(F)c1 C1CC1[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)[*:1])c1cncc(F)c1
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cncc(F)c1 FC(F)(F)[*:1] O=C(N[C@@H](c1cccc(c1)[*:1])C1CC1)c1cncc(F)c1
CC(C)(C)c1ccc(NC(=O)C(=O)NCc2nnc3n2CCC3)cc1 C1Cc2nnc(n2C1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
CC(C)(C)c1ccc(NC(=O)C(=O)NCc2nnc3n2CCC3)cc1 CC(C)(C)[*:1] O=C(NCc1nnc2CCCn21)C(=O)Nc1ccc(cc1)[*:1]
Cc1nnc(CO/N=C(/N)Cc2ccc(F)cc2)n1C1CC1 C1CC1[*:1] Cc1nnc(CO/N=C(/N)Cc2ccc(F)cc2)n1[*:1]
Cc1nnc(CO/N=C(/N)Cc2ccc(F)cc2)n1C1CC1 Fc1ccc(cc1)[*:1] Cc1nnc(CO/N=C(/N)C[*:1])n1C1CC1
Cc1cccc(N2CCN([C@@H](c3ccccc3)c3nnnn3C(C)(C)C)CC2)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@@H](c1nnnn1C(C)(C)C)[*:1]
Cc1cccc(N2CCN([C@@H](c3ccccc3)c3nnnn3C(C)(C)C)CC2)c1C Cc1cccc(c1C)[*:1] CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN([C@@H](c3ccccc3)c3nnnn3C(C)(C)C)CC2)c1C CC(C)(C)n1nnnc1[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
Cc1cccc(N2CCN([C@@H](c3ccccc3)c3nnnn3C(C)(C)C)CC2)c1C CC(C)(C)[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@@H](c1ccccc1)c1nnnn1[*:1]
CCC(=O)N1CCc2cc(C(=O)N[C@@H]3CCCC[C@@H]3C(=O)OC)ccc21 COC(=O)[*:1] CCC(=O)N1CCc2cc(ccc21)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCCC1=NN[C@@H]([C@@H]2C=c3ccccc3=[NH+]2)O1 CCC[*:1] C1=c2ccccc2=[NH+][C@@H]1[C@@H]1NN=C(O1)[*:1]
O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCN(c2nccs2)CC1 Fc1ccc(cc1F)[*:1] O=C(c1nn(c2CCCc12)[*:1])N1CCN(CC1)c1nccs1
O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] O=C(c1nn(-c2ccc(F)c(F)c2)c2CCCc12)N1CCN(CC1)[*:1]
CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccccn3)CC2=O)c1 CCc1cccc(c1)[*:1] O=C(NNC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccccn1
CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccccn3)CC2=O)c1 c1ccc(nc1)[*:1] CCc1cccc(c1)N1C[C@H](CC1=O)C(=O)NNC(=O)[*:1]
Cc1ccccc1[C@]1(CC(=O)N2CCCC[C@H]2C)CC(=O)N(Cc2cccnc2)C1=O Cc1ccccc1[*:1] C[C@@H]1CCCCN1C(=O)C[C@@]1(CC(=O)N(Cc2cccnc2)C1=O)[*:1]
Cc1ccccc1[C@]1(CC(=O)N2CCCC[C@H]2C)CC(=O)N(Cc2cccnc2)C1=O c1cncc(c1)C[*:1] Cc1ccccc1[C@]1(CC(=O)N2CCCC[C@H]2C)CC(=O)N(C1=O)[*:1]
Cc1ccccc1[C@]1(CC(=O)N2CCCC[C@H]2C)CC(=O)N(Cc2cccnc2)C1=O c1cncc(c1)[*:1] Cc1ccccc1[C@@]1(CC(=O)N(C[*:1])C1=O)CC(=O)N1CCCC[C@H]1C
Cc1ccccc1[C@]1(CC(=O)N2CCCC[C@H]2C)CC(=O)N(Cc2cccnc2)C1=O C[C@@H]1CCCCN1C(=O)C[*:1] Cc1ccccc1[C@@]1(CC(=O)N(Cc2cccnc2)C1=O)[*:1]
C[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)C(=O)N1CCCC1)[*:1]
Cc1noc(COC(=O)c2ccc(-n3cncn3)cc2C)n1 c1ncn(n1)[*:1] Cc1noc(COC(=O)c2ccc(cc2C)[*:1])n1
Cc1noc(COC(=O)c2ccc(-n3cncn3)cc2C)n1 Cc1noc(C[*:1])n1 Cc1cc(ccc1C(=O)O[*:1])-n1cncn1
Cc1noc(COC(=O)c2ccc(-n3cncn3)cc2C)n1 Cc1noc(n1)[*:1] Cc1cc(ccc1C(=O)OC[*:1])-n1cncn1
CC[C@H](NC(=O)NC[C@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)NC[C@H]1CSCCS1)c1cccc(c1)[*:1]
CCCN[C@]1(C#N)CC[C@@H](OC(C)(C)CC)C1 CCC[*:1] CCC(C)(C)O[C@@H]1CC[C@](C#N)(C1)N[*:1]
CCCN[C@]1(C#N)CC[C@@H](OC(C)(C)CC)C1 CCC(C)(C)[*:1] CCCN[C@]1(C#N)CC[C@H](C1)O[*:1]
CCCN[C@]1(C#N)CC[C@@H](OC(C)(C)CC)C1 CCCN[*:1] CCC(C)(C)O[C@@H]1CC[C@@](C#N)(C1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1 c1nnnn1[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccc(C)c(c1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1-n1cnnn1)NS(=O)(=O)[*:1]
Fc1cccc(F)c1C(F)(F)F FC(F)(F)[*:1] Fc1cccc(F)c1[*:1]
COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cnc(C)s2)C1 Cc1ncc(s1)[*:1] COC(=O)N1CCC[C@H](C1)[NH2+][C@H](C)[*:1]
CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)NCc3ccc4c(c3)OCO4)c12 c1cc2OCOc2cc1[*:1] CCc1c(C)sc2nc(nc(SCC(=O)NC[*:1])c12)C(C)C
CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)NCc3ccc4c(c3)OCO4)c12 CC(C)[*:1] CCc1c(C)sc2nc(nc(SCC(=O)NCc3ccc4OCOc4c3)c12)[*:1]
CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)NCc3ccc4c(c3)OCO4)c12 c1cc2OCOc2cc1C[*:1] CCc1c(C)sc2nc(nc(SCC(=O)N[*:1])c12)C(C)C
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(C)s3)C2)c1 Cc1ccc(s1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)[C@@H]1C[C@H]1[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(C)s3)C2)c1 CCOC(=O)[*:1] Cc1ccc(s1)[C@H]1C[C@H]1C(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
CCNC(=O)c1cc2ccc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2oc1=O CCNC(=O)[*:1] O=C(/C=C/c1ccc(Cl)cc1Cl)Oc1ccc2cc(c(=O)oc2c1)[*:1]
CCNC(=O)c1cc2ccc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2oc1=O Clc1ccc(c(Cl)c1)[*:1] CCNC(=O)c1cc2ccc(cc2oc1=O)OC(=O)C=C[*:1]
CC(C)c1ocnc1CSc1nnc(C2CC2)n1C1CC1 CC(C)[*:1] c1nc(CSc2nnc(C3CC3)n2C2CC2)c(o1)[*:1]
CC(C)c1ocnc1CSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] CC(C)c1ocnc1CSc1nnc(n1C1CC1)[*:1]
CC(C)c1ocnc1CSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] CC(C)c1ocnc1CSc1nnc(C2CC2)n1[*:1]
O=C([C@@H]1CCCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(c1cc(ccc1Cl)C(F)(F)F)N1CCCC[C@H]1[*:1]
O=C([C@@H]1CCCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N1CCCC1 FC(F)(F)[*:1] O=C([C@@H]1CCCCN1S(=O)(=O)c1cc(ccc1Cl)[*:1])N1CCCC1
C[C@H](c1ccccn1)N(C(=O)c1ccc(-c2ccco2)[nH]c1=O)C1CC1 C1CC1[*:1] C[C@H](c1ccccn1)N(C(=O)c1ccc([nH]c1=O)-c1ccco1)[*:1]
C[C@H](c1ccccn1)N(C(=O)c1ccc(-c2ccco2)[nH]c1=O)C1CC1 c1coc(c1)[*:1] C[C@H](c1ccccn1)N(C(=O)c1ccc([nH]c1=O)[*:1])C1CC1
C[C@H](c1ccccn1)N(C(=O)c1ccc(-c2ccco2)[nH]c1=O)C1CC1 C[C@H](c1ccccn1)[*:1] O=C(c1ccc([nH]c1=O)-c1ccco1)N(C1CC1)[*:1]
C[C@H](c1ccccn1)N(C(=O)c1ccc(-c2ccco2)[nH]c1=O)C1CC1 c1ccc(nc1)[*:1] C[C@H](N(C(=O)c1ccc([nH]c1=O)-c1ccco1)C1CC1)[*:1]
N#CCc1n[nH]c(=O)c2ccccc12 N#CC[*:1] O=c1[nH]nc(c2ccccc12)[*:1]
CN(c1ccsc1C(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 C1CN(CCO1)C[*:1] CN(c1ccsc1C(=O)NC[*:1])S(=O)(=O)c1ccc(Cl)cc1
CN(c1ccsc1C(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 C1CN(CCO1)[*:1] CN(c1ccsc1C(=O)NCC[*:1])S(=O)(=O)c1ccc(Cl)cc1
CN(c1ccsc1C(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(c1ccsc1C(=O)NCCN1CCOCC1)S(=O)(=O)[*:1]
CN(c1ccsc1C(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 C1CN(CCO1)CC[*:1] CN(c1ccsc1C(=O)N[*:1])S(=O)(=O)c1ccc(Cl)cc1
CCO[C@@H]1C[C@H](NC(=O)NCCC(=O)N2CCCC2)C12CCC2 O=C(N1CCCC1)[*:1] CCO[C@@H]1C[C@H](NC(=O)NCC[*:1])C12CCC2
CCO[C@@H]1C[C@H](NC(=O)NCCC(=O)N2CCCC2)C12CCC2 CCO[*:1] O=C(NCCC(=O)N1CCCC1)N[C@H]1C[C@H](C12CCC2)[*:1]
COc1ccc(C(=O)N/N=C(/C)CC(C)(C)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)N/N=C(/C)CC(C)(C)[*:1]
COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@H](C)C1CC1 COC(=O)[*:1] C[C@@H](NC(=O)COc1cc2ccccc2cc1[*:1])C1CC1
COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@H](C)C1CC1 C[C@@H](NC(=O)[*:1])C1CC1 COC(=O)c1cc2ccccc2cc1OC[*:1]
COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@H](C)C1CC1 C1CC1[*:1] COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@H](C)[*:1]
CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(F)cc2F)CC(=O)N1 C1CCC(CC1)[*:1] CC1NC(=O)C[C@H](C=1C(=O)OC[*:1])c1ccc(F)cc1F
CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(F)cc2F)CC(=O)N1 Fc1ccc(c(F)c1)[*:1] CC1NC(=O)C[C@@H](C=1C(=O)OCC1CCCCC1)[*:1]
CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(F)cc2F)CC(=O)N1 C1CCC(CC1)C[*:1] CC1NC(=O)C[C@H](C=1C(=O)O[*:1])c1ccc(F)cc1F
O=C([O-])CC[C@@H]1CN(c2cc[nH+]cc2)CC[C@@H]1N1CCOCC1 O=C([O-])C[*:1] c1cc(cc[nH+]1)N1CC[C@@H]([C@@H](C1)C[*:1])N1CCOCC1
O=C([O-])CC[C@@H]1CN(c2cc[nH+]cc2)CC[C@@H]1N1CCOCC1 O=C([O-])[*:1] c1cc(cc[nH+]1)N1CC[C@@H]([C@H](CC[*:1])C1)N1CCOCC1
O=C([O-])CC[C@@H]1CN(c2cc[nH+]cc2)CC[C@@H]1N1CCOCC1 O=C([O-])CC[*:1] c1cc(cc[nH+]1)N1CC[C@@H]([C@@H](C1)[*:1])N1CCOCC1
O=C([O-])CC[C@@H]1CN(c2cc[nH+]cc2)CC[C@@H]1N1CCOCC1 C1CN(CCO1)[*:1] O=C([O-])CC[C@@H]1CN(CC[C@H]1[*:1])c1cc[nH+]cc1
O=C([O-])c1nn(-c2ccc([N+](=O)[O-])cc2)cc1CCO O=C([O-])[*:1] O=[N+]([O-])c1ccc(cc1)-n1cc(CCO)c(n1)[*:1]
O=C([O-])c1nn(-c2ccc([N+](=O)[O-])cc2)cc1CCO OCC[*:1] O=C([O-])c1nn(cc1[*:1])-c1ccc(cc1)[N+](=O)[O-]
O=C([O-])c1nn(-c2ccc([N+](=O)[O-])cc2)cc1CCO O=[N+]([O-])[*:1] O=C([O-])c1nn(cc1CCO)-c1ccc(cc1)[*:1]
CNc1nnc(C2=NO[C@H](CNc3[nH+]cc(C(F)(F)F)cc3Cl)C2)s1 FC(F)(F)[*:1] CNc1nnc(s1)C1C[C@@H](CNc2[nH+]cc(cc2Cl)[*:1])ON=1
CNc1nnc(C2=NO[C@H](CNc3[nH+]cc(C(F)(F)F)cc3Cl)C2)s1 CNc1nnc(s1)[*:1] FC(F)(F)c1c[nH+]c(NC[C@@H]2CC(=NO2)[*:1])c(Cl)c1
CC(=O)N1CCc2cc(C(=O)N[C@H](COc3ccccc3F)c3ccccc3)ccc21 Fc1ccccc1O[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N[C@H](C[*:1])c1ccccc1
CC(=O)N1CCc2cc(C(=O)N[C@H](COc3ccccc3F)c3ccccc3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N[C@H](COc1ccccc1F)[*:1]
CC(=O)N1CCc2cc(C(=O)N[C@H](COc3ccccc3F)c3ccccc3)ccc21 Fc1ccccc1[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N[C@H](CO[*:1])c1ccccc1
CC(=O)N1CCc2cc(C(=O)N[C@H](COc3ccccc3F)c3ccccc3)ccc21 Fc1ccccc1OC[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N[C@H](c1ccccc1)[*:1]
Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCN(c4cccc[nH+]4)CC3)c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(c(C)c1/C=C/C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCN(c4cccc[nH+]4)CC3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1/C=C/C(=O)N1CCN(CC1)c1cccc[nH+]1
COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N[C@@H](Cc1ccccc1)[*:1]
COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N[C@@H](C[*:1])c1nc2ccccc2[nH]1
COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] c1ccc(cc1)C[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1
Cc1ccccc1-c1noc(=O)n1CCn1cc([N+](=O)[O-])ccc1=O O=[N+]([O-])[*:1] Cc1ccccc1-c1noc(=O)n1CCn1cc(ccc1=O)[*:1]
Cc1ccccc1-c1noc(=O)n1CCn1cc([N+](=O)[O-])ccc1=O Cc1ccccc1[*:1] O=c1ccc(cn1CCn1c(noc1=O)[*:1])[N+](=O)[O-]
Cc1cccc(CSCC(=O)Nc2cc(C#N)ccc2OC(F)F)c1 FC(F)O[*:1] Cc1cccc(c1)CSCC(=O)Nc1cc(C#N)ccc1[*:1]
Cc1cccc(CSCC(=O)Nc2cc(C#N)ccc2OC(F)F)c1 Cc1cccc(c1)C[*:1] N#Cc1ccc(OC(F)F)c(c1)NC(=O)CS[*:1]
Cc1cccc(CSCC(=O)Nc2cc(C#N)ccc2OC(F)F)c1 Cc1cccc(c1)[*:1] N#Cc1ccc(OC(F)F)c(c1)NC(=O)CSC[*:1]
Cc1cccc(CSCC(=O)Nc2cc(C#N)ccc2OC(F)F)c1 FC(F)[*:1] Cc1cccc(c1)CSCC(=O)Nc1cc(C#N)ccc1O[*:1]
FC(F)(F)c1cc(Cl)c(Br)c(Cl)c1 FC(F)(F)[*:1] Clc1cc(cc(Cl)c1Br)[*:1]
C[C@@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)NCc1ccccc1F Fc1ccccc1C[*:1] C[C@@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)N[*:1]
C[C@@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)NCc1ccccc1F Fc1ccccc1[*:1] C[C@@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)NC[*:1]
COc1cc(C[NH+](CCO)Cc2cccnc2)c(Br)cc1O c1cncc(c1)C[*:1] COc1cc(C[NH+](CCO)[*:1])c(Br)cc1O
COc1cc(C[NH+](CCO)Cc2cccnc2)c(Br)cc1O c1cncc(c1)[*:1] COc1cc(C[NH+](CCO)C[*:1])c(Br)cc1O
Cc1cc([C@@H](C)NC(=O)CCCCO)c(C)s1 OCCCC[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)[*:1]
Cc1cc([C@@H](C)NC(=O)CCCCO)c(C)s1 OCCC[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)C[*:1]
Cc1cc([C@@H](C)NC(=O)CCCCO)c(C)s1 OCC[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)CC[*:1]
Cc1noc(C)c1S(=O)(=O)Nc1cc(-c2nnc3n2CCCCC3)c(F)cc1F Cc1noc(C)c1[*:1] O=S(=O)(Nc1cc(c(F)cc1F)-c1nnc2CCCCCn21)[*:1]
COCCn1ccc(NCc2sccc2C)n1 COCC[*:1] Cc1ccsc1CNc1ccn(n1)[*:1]
COCCn1ccc(NCc2sccc2C)n1 COC[*:1] Cc1ccsc1CNc1ccn(C[*:1])n1
O=C(c1ccccc1F)N1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 Fc1ccccc1[*:1] O=C(N1CC[NH+](CC1)C1CCN(CC1)Cc1ccccc1)[*:1]
O=C(c1ccccc1F)N1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1F)N1CC[NH+](CC1)C1CCN(CC1)C[*:1]
O=C(c1ccccc1F)N1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccccc1F)N1CC[NH+](CC1)C1CCN(CC1)[*:1]
CCO/C=C(/C#N)C(=O)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 CCO[*:1] N#CC(=C[*:1])C(=O)N1C[C@H](O)C[C@@H]1c1ccc(cc1)C(F)(F)F
CCO/C=C(/C#N)C(=O)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCO/C=C(/C#N)C(=O)N1C[C@H](O)C[C@@H]1c1ccc(cc1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccccc1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])c1ccccc1NS(=O)(=O)c1ccccc1
O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)c1ccccc1NS(=O)(=O)[*:1]
C[C@H]1CCC[C@@H](NC(=O)CSCC(N)=O)[C@@H]1C NC(=O)[*:1] C[C@H]1CCC[C@@H](NC(=O)CSC[*:1])[C@@H]1C
C[C@H]1CCC[C@@H](NC(=O)CSCC(N)=O)[C@@H]1C NC(=O)C[*:1] C[C@H]1CCC[C@@H](NC(=O)CS[*:1])[C@@H]1C
C[C@H]1CCC[C@@H](NC(=O)CSCC(N)=O)[C@@H]1C NC(=O)CS[*:1] C[C@H]1CCC[C@@H](NC(=O)C[*:1])[C@@H]1C
COC(=O)c1cc(NCc2c[nH]nc2C)cc(C)c1N Cc1n[nH]cc1[*:1] COC(=O)c1cc(cc(C)c1N)NC[*:1]
COC(=O)c1cc(NCc2c[nH]nc2C)cc(C)c1N COC(=O)[*:1] Cc1cc(cc(c1N)[*:1])NCc1c[nH]nc1C
O=S(=O)(CCC1CC1)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=S(=O)(CCC1CC1)NC[C@@H]1CCCN(C1)[*:1]
O=S(=O)(CCC1CC1)NC[C@@H]1CCCN(c2ncccn2)C1 C1CC1C[*:1] O=S(=O)(C[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
O=S(=O)(CCC1CC1)NC[C@@H]1CCCN(c2ncccn2)C1 C1CC1CC[*:1] O=S(=O)(NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
O=S(=O)(CCC1CC1)NC[C@@H]1CCCN(c2ncccn2)C1 C1CC1[*:1] O=S(=O)(CC[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(SCC(=O)c2ccccc2)s1 O=C(c1ccccc1)[*:1] O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(SC[*:1])s1
O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(SCC(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(SCC(=O)[*:1])s1
CCCc1cc(C(=O)N(C)[C@H](C)c2cc(-c3ccccc3)[nH]n2)n(C)n1 c1ccc(cc1)[*:1] CCCc1cc(C(=O)N(C)[C@H](C)c2cc([nH]n2)[*:1])n(C)n1
CCCc1cc(C(=O)N(C)[C@H](C)c2cc(-c3ccccc3)[nH]n2)n(C)n1 CCC[*:1] C[C@H](c1cc([nH]n1)-c1ccccc1)N(C)C(=O)c1cc(nn1C)[*:1]
CS(=O)(=O)CCC(=O)NCCC[NH+]1CCc2ccccc2C1 CS(=O)(=O)[*:1] O=C(CC[*:1])NCCC[NH+]1CCc2ccccc2C1
CS(=O)(=O)CCC(=O)NCCC[NH+]1CCc2ccccc2C1 CS(=O)(=O)CC[*:1] O=C(NCCC[NH+]1CCc2ccccc2C1)[*:1]
CS(=O)(=O)CCC(=O)NCCC[NH+]1CCc2ccccc2C1 CS(=O)(=O)C[*:1] O=C(C[*:1])NCCC[NH+]1CCc2ccccc2C1
CCC[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)[C@@H](C)CC)C2)CCO1 CCC[*:1] CC[C@H](C)C(=O)N1CCC[C@@H](C1)C(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)[C@@H](C)CC)C2)CCO1 CC[C@H](C)[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
COc1cc(CO/N=C(/N)Cc2ccccc2)ccc1SC c1ccc(cc1)C[*:1] COc1cc(ccc1SC)CO/N=C(/N)[*:1]
COc1cc(CO/N=C(/N)Cc2ccccc2)ccc1SC c1ccc(cc1)[*:1] COc1cc(ccc1SC)CO/N=C(/N)C[*:1]
O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC2(CCc3ccccc3O2)CC1 Clc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC2(CCc3ccccc3O2)CC1
O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccc2OCCOc2c1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 c1cc2OCCOc2cc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)Cc1ccc(F)cc1
O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
NC(=O)c1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 c1csc(c1)C[*:1] NC(=O)c1ccc(cc1)C(=O)N(Cc1cccs1)[*:1]
NC(=O)c1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 NC(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1cccs1)Cc1cccs1
NC(=O)c1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 c1csc(c1)[*:1] NC(=O)c1ccc(cc1)C(=O)N(Cc1cccs1)C[*:1]
Cc1ccc(-c2nnc(S[C@H](C)C(=O)NC[C@H]3CCCO3)o2)cc1C C1CO[C@H](C1)[*:1] Cc1ccc(cc1C)-c1nnc(o1)S[C@H](C)C(=O)NC[*:1]
Cc1ccc(-c2nnc(S[C@H](C)C(=O)NC[C@H]3CCCO3)o2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)NC[C@H]1CCCO1
Cc1ccc(-c2nnc(S[C@H](C)C(=O)NC[C@H]3CCCO3)o2)cc1C C1CO[C@H](C1)C[*:1] Cc1ccc(cc1C)-c1nnc(o1)S[C@H](C)C(=O)N[*:1]
CCN(C(=O)C(C)(C)S(C)(=O)=O)C1CCC([NH3+])CC1 CS(=O)(=O)[*:1] CCN(C(=O)C(C)(C)[*:1])C1CCC([NH3+])CC1
CSc1cccc(N2C[C@H](C(=O)N(C)c3nc4ccccc4s3)CC2=O)c1 CSc1cccc(c1)[*:1] CN(C(=O)[C@@H]1CC(=O)N(C1)[*:1])c1nc2ccccc2s1
CSc1cccc(N2C[C@H](C(=O)N(C)c3nc4ccccc4s3)CC2=O)c1 c1ccc2sc(nc2c1)[*:1] CSc1cccc(c1)N1C[C@@H](CC1=O)C(=O)N(C)[*:1]
COCCN(CC(C)C)C(=O)NCc1cnn(C)c1 CC(C)[*:1] COCCN(C[*:1])C(=O)NCc1cnn(C)c1
COCCN(CC(C)C)C(=O)NCc1cnn(C)c1 Cn1cc(cn1)[*:1] COCCN(CC(C)C)C(=O)NC[*:1]
COCCN(CC(C)C)C(=O)NCc1cnn(C)c1 COCC[*:1] CC(C)CN(C(=O)NCc1cnn(C)c1)[*:1]
COCCN(CC(C)C)C(=O)NCc1cnn(C)c1 COC[*:1] CC(C)CN(C[*:1])C(=O)NCc1cnn(C)c1
COCCN(CC(C)C)C(=O)NCc1cnn(C)c1 CC(C)C[*:1] COCCN(C(=O)NCc1cnn(C)c1)[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCCCC(C)C CC(C)CC[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCC[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCCCC(C)C CC(C)CCC[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCCCC(C)C CC(C)C[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCC[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCCCC(C)C CC(C)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCCC[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCCCC(C)C CC(C)CCCC[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[*:1]
COc1cccc(CNC(=O)NCC2(c3ccccc3)CCC2)c1 COc1cccc(c1)[*:1] O=C(NCC1(CCC1)c1ccccc1)NC[*:1]
COc1cccc(CNC(=O)NCC2(c3ccccc3)CCC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)NCC1(CCC1)[*:1]
CCc1nn(C)cc1C(=O)N[C@@H](C)C[C@H](O)c1ccco1 c1coc(c1)[*:1] CCc1nn(C)cc1C(=O)N[C@@H](C)C[C@H](O)[*:1]
CCc1nn(C)cc1C(=O)N[C@@H](C)C[C@H](O)c1ccco1 O[C@H](c1ccco1)[*:1] CCc1nn(C)cc1C(=O)N[C@@H](C)C[*:1]
Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)N1CCCC1=O
Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 O=C1CCCN1[*:1] Cc1ccc(C)c(c1)OCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc2nc(CC3(CC(=O)[O-])CCCCC3)sc2c1 O=C([O-])C[*:1] Cc1ccc2nc(CC3(CCCCC3)[*:1])sc2c1
Cc1ccc2nc(CC3(CC(=O)[O-])CCCCC3)sc2c1 O=C([O-])[*:1] Cc1ccc2nc(CC3(CCCCC3)C[*:1])sc2c1
O=C1N[C@](Nc2nc3ccccc3s2)(C(F)(F)F)C(=O)N1C1CCCCC1 c1ccc2sc(nc2c1)[*:1] O=C1N[C@@](N[*:1])(C(=O)N1C1CCCCC1)C(F)(F)F
O=C1N[C@](Nc2nc3ccccc3s2)(C(F)(F)F)C(=O)N1C1CCCCC1 C1CCC(CC1)[*:1] O=C1N[C@@](Nc2nc3ccccc3s2)(C(=O)N1[*:1])C(F)(F)F
O=C1N[C@](Nc2nc3ccccc3s2)(C(F)(F)F)C(=O)N1C1CCCCC1 FC(F)(F)[*:1] O=C1N[C@](Nc2nc3ccccc3s2)(C(=O)N1C1CCCCC1)[*:1]
Cc1cnc2c(S(=O)(=O)N3CCC(C(=O)Nc4nc5c(s4)CN(C)CC5)CC3)cccc2c1 Cc1cnc2c(cccc2c1)[*:1] CN1CCc2nc(NC(=O)C3CCN(CC3)S(=O)(=O)[*:1])sc2C1
Cc1cnc2c(S(=O)(=O)N3CCC(C(=O)Nc4nc5c(s4)CN(C)CC5)CC3)cccc2c1 CN1CCc2nc(sc2C1)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC(=O)Nc1cc(C(=O)Nc2cnn(CC(C)C)c2)ccc1C CC(C)C[*:1] CC(=O)Nc1cc(ccc1C)C(=O)Nc1cnn(c1)[*:1]
CC(=O)Nc1cc(C(=O)Nc2cnn(CC(C)C)c2)ccc1C CC(C)[*:1] CC(=O)Nc1cc(ccc1C)C(=O)Nc1cnn(c1)C[*:1]
CC(=O)Nc1cc(C(=O)Nc2cnn(CC(C)C)c2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1cnn(c1)CC(C)C
CC(=O)Nc1ccc(CC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)N1CCC[C@@H]1[*:1]
CC(=O)Nc1ccc(CC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 CC(=O)N[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCC[C@H]1c1cccc(F)c1
Cc1cccc(C(C)C)c1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] CC(C)[*:1] Cc1cccc(c1NC(=O)CSc1ccc(cc1[N+](=O)[O-])C(N)=O)[*:1]
Cc1cccc(C(C)C)c1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] NC(=O)[*:1] Cc1cccc(c1NC(=O)CSc1ccc(cc1[N+](=O)[O-])[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(c1NC(=O)CSc1ccc(cc1[*:1])C(N)=O)C(C)C
CCC(=O)N1CCC[C@@H](C(=O)NC(C)(C)c2ncc(C)s2)C1 Cc1cnc(s1)[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)NC(C)(C)[*:1]
Cc1nncn1-c1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 Cc1nncn1[*:1] CC(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[*:1]
Cc1nncn1-c1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 CC(C)[*:1] Cc1nncn1-c1cccc(c1)NS(=O)(=O)c1ccc(cc1)[*:1]
COc1csc(C(=O)N[C@@H]2CCC[C@@H]2C(N)=O)c1 NC(=O)[*:1] COc1csc(c1)C(=O)N[C@@H]1CCC[C@H]1[*:1]
COc1ccc(CN(C)C(=O)COc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)CN(C)C(=O)CO[*:1]
Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1ccc(OC(F)F)cc1 FC(F)[*:1] Cc1ccc(cc1C(=O)O[C@H](C)c1ccc(cc1)O[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1ccc(OC(F)F)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1C(=O)O[C@H](C)c1ccc(cc1)OC(F)F)[*:1]
Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1ccc(OC(F)F)cc1 FC(F)O[*:1] Cc1ccc(cc1C(=O)O[C@H](C)c1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1cc(C)c(C[NH+]2CCCN(C(=O)C3CCC3)CC2)cc1C C1CC(C1)[*:1] Cc1cc(C)c(cc1C)C[NH+]1CCCN(CC1)C(=O)[*:1]
Cc1c(Cl)cccc1NC(=O)N[C@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)N[C@H](CO)C[*:1]
Cc1c(Cl)cccc1NC(=O)N[C@H](CO)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1c(Cl)cccc1NC(=O)N[C@H](CO)[*:1]
CCC[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(=O)OC c1cc(ccn1)[*:1] CCC[C@@H](NC(=O)c1cc(nc2ccccc12)[*:1])C(=O)OC
CCC[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)c1cc(nc2ccccc12)-c1ccncc1)[*:1]
CCC[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)c1cc(nc2ccccc12)-c1ccncc1)[*:1]
O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 Ic1cccc(c1)[*:1] O=C1OC(=N/C1=C\c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C1OC(=N/C1=C\c1ccc(cc1)[*:1])c1cccc(I)c1
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1C(N)=O c1cnn(c1)[*:1] Cc1ccc(cc1C(N)=O)NC(=O)CN(C)C(=O)[C@@H](C)[*:1]
Cc1cccc(CS(N)(=O)=O)n1 NS(=O)(=O)[*:1] Cc1cccc(C[*:1])n1
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)ccc1C Cc1cc(C)c(c(=O)[nH]1)[*:1] COc1ccccc1NS(=O)(=O)c1cc(ccc1C)C(=O)NC[*:1]
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)ccc1C Cc1cc(C)c(C[*:1])c(=O)[nH]1 COc1ccccc1NS(=O)(=O)c1cc(ccc1C)C(=O)N[*:1]
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)ccc1C COc1ccccc1[*:1] Cc1cc(C)c(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)N[*:1])c(=O)[nH]1
CCCNC(=O)[C@@H](C[NH3+])Cc1cc(C)nc2ccccc12 CCC[*:1] Cc1cc(C[C@H](C[NH3+])C(=O)N[*:1])c2ccccc2n1
CCCNC(=O)[C@@H](C[NH3+])Cc1cc(C)nc2ccccc12 CCCNC(=O)[*:1] Cc1cc(C[C@H](C[NH3+])[*:1])c2ccccc2n1
CC/[NH+]=C(/NCc1ccc(C)c(F)c1)N1CCC(OCC)CC1 CCO[*:1] CC/[NH+]=C(/NCc1ccc(C)c(F)c1)N1CCC(CC1)[*:1]
O=C(NCc1ccccc1C(F)(F)F)c1c(-c2ccccc2)nc2sccn2c1=O c1ccc(cc1)[*:1] O=C(NCc1ccccc1C(F)(F)F)c1c(nc2sccn2c1=O)[*:1]
O=C(NCc1ccccc1C(F)(F)F)c1c(-c2ccccc2)nc2sccn2c1=O FC(F)(F)[*:1] O=C(NCc1ccccc1[*:1])c1c(nc2sccn2c1=O)-c1ccccc1
O=C(NCc1ccccc1C(F)(F)F)c1c(-c2ccccc2)nc2sccn2c1=O FC(F)(F)c1ccccc1[*:1] O=C(NC[*:1])c1c(nc2sccn2c1=O)-c1ccccc1
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C(C)C)c1C CCC[*:1] Cc1cccc(c1NC(=O)/C(C#N)=C/c1cc(C)n(c1C)[*:1])C(C)C
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C(C)C)c1C CC(C)[*:1] CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2[*:1])c1C
COc1ccc2cc(C)c3nn(CC(=O)NCC4CC4)c(=O)n3c2c1 C1CC1C[*:1] COc1ccc2cc(C)c3nn(CC(=O)N[*:1])c(=O)n3c2c1
COc1ccc2cc(C)c3nn(CC(=O)NCC4CC4)c(=O)n3c2c1 O=C(C[*:1])NCC1CC1 COc1ccc2cc(C)c3nn(c(=O)n3c2c1)[*:1]
COc1ccc2cc(C)c3nn(CC(=O)NCC4CC4)c(=O)n3c2c1 C1CC1[*:1] COc1ccc2cc(C)c3nn(CC(=O)NC[*:1])c(=O)n3c2c1
COc1ccc2cc(C)c3nn(CC(=O)NCC4CC4)c(=O)n3c2c1 O=C(NCC1CC1)[*:1] COc1ccc2cc(C)c3nn(C[*:1])c(=O)n3c2c1
COc1ccccc1CNC(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] COc1ccccc1CNC(=O)Nc1cccc(c1)OC[*:1]
COc1ccccc1CNC(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)CO[*:1] COc1ccccc1CNC(=O)Nc1cccc(c1)[*:1]
COc1ccccc1CNC(=O)Nc1cccc(OCc2cccnc2)c1 COc1ccccc1C[*:1] O=C(Nc1cccc(c1)OCc1cccnc1)N[*:1]
COc1ccccc1CNC(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] COc1ccccc1CNC(=O)Nc1cccc(c1)O[*:1]
COc1ccccc1CNC(=O)Nc1cccc(OCc2cccnc2)c1 COc1ccccc1[*:1] O=C(NC[*:1])Nc1cccc(c1)OCc1cccnc1
COc1ccc2c(c1OC)C(=O)N(c1nc(-c3ccc(Cl)cc3)cs1)C2=O Clc1ccc(cc1)[*:1] COc1ccc2C(=O)N(C(=O)c2c1OC)c1nc(cs1)[*:1]
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1cnn(c1)Cc1ccc(Cl)cc1)[*:1]
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccco1 Clc1ccc(cc1)[*:1] O=C(Nc1cnn(c1)C[*:1])c1ccco1
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2)cc1 Cc1ccc(cc1)[*:1] CN(c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
COc1cccc(CNc2ncnc3sc(-c4ccccc4)cc23)c1OC c1ccc(cc1)[*:1] COc1cccc(CNc2ncnc3sc(cc23)[*:1])c1OC
Cc1ccc(OC(=O)c2sccc2S(=O)(=O)N2CCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(O[*:1])c1sccc1S(=O)(=O)N1CCCC1
CC[C@H](Oc1cccc(C)c1)C(=O)N1CC[C@H](C)[C@H](O)C1 Cc1cccc(c1)[*:1] CC[C@H](O[*:1])C(=O)N1CC[C@H](C)[C@H](O)C1
CC(=O)c1cnc2nc(-c3ccncc3)nn2c1/C=C/N(C)C CC(=O)[*:1] CN(C)/C=C/c1c(cnc2nc(nn12)-c1ccncc1)[*:1]
CC(=O)c1cnc2nc(-c3ccncc3)nn2c1/C=C/N(C)C c1cc(ccn1)[*:1] CC(=O)c1cnc2nc(nn2c1/C=C/N(C)C)[*:1]
CC(=O)c1cnc2nc(-c3ccncc3)nn2c1/C=C/N(C)C CN(C)[*:1] CC(=O)c1cnc2nc(nn2c1C=C[*:1])-c1ccncc1
CC(=O)c1cnc2nc(-c3ccncc3)nn2c1/C=C/N(C)C CN(C)C=C[*:1] CC(=O)c1cnc2nc(nn2c1[*:1])-c1ccncc1
COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O Clc1ccc(cc1)[*:1] COc1cc(/C=C2\SC(=O)N(C2=O)[*:1])cc(I)c1O
COC(=O)NCCC(=O)Nc1sc2c(c1C)CCCC2 COC(=O)N[*:1] Cc1c(NC(=O)CC[*:1])sc2CCCCc21
COC(=O)NCCC(=O)Nc1sc2c(c1C)CCCC2 COC(=O)NC[*:1] Cc1c(NC(=O)C[*:1])sc2CCCCc21
C[C@H]1CCCC[C@]1(NC(=O)N1CCC[C@@H](C)C1)C(=O)[O-] O=C([O-])[*:1] C[C@H]1CCCC[C@@]1(NC(=O)N1CCC[C@@H](C)C1)[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NCc3cccnc3)c2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCc1cccnc1)Nc1cccc(c1)[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NCc3cccnc3)c2)n1 c1cncc(c1)[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)NC[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NCc3cccnc3)c2)n1 c1cncc(c1)C[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)N[*:1]
O=C(Nc1nccs1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 C1CCC(C1)[*:1] O=C(Nc1nccs1)[C@H]1c2ccccc2C(=O)N(C12CCCC2)[*:1]
O=C(Nc1nccs1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 O=C(Nc1nccs1)[*:1] O=C1c2ccccc2[C@@H](C2(CCCC2)N1C1CCCC1)[*:1]
O=C(Nc1nccs1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 c1csc(n1)[*:1] O=C(N[*:1])[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2
O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C1N[C@@H](CSCc2ccccc2)C(=O)N2C[C@H](C[C@@H]12)NC(=O)[*:1]
O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1)c1cc(F)ccc1F c1ccc(cc1)CSC[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](C(=O)N2C1)[*:1])c1cc(F)ccc1F
O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1)c1cc(F)ccc1F c1ccc(cc1)[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSC[*:1])C(=O)N2C1)c1cc(F)ccc1F
O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1)c1cc(F)ccc1F c1ccc(cc1)CS[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](C[*:1])C(=O)N2C1)c1cc(F)ccc1F
O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1)c1cc(F)ccc1F c1ccc(cc1)C[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CS[*:1])C(=O)N2C1)c1cc(F)ccc1F
CCn1c(SCC(=O)NCc2ncn(C)n2)nc2ccccc21 Cn1cnc(C[*:1])n1 CCn1c(nc2ccccc21)SCC(=O)N[*:1]
CCn1c(SCC(=O)NCc2ncn(C)n2)nc2ccccc21 Cn1cnc(n1)[*:1] CCn1c(nc2ccccc21)SCC(=O)NC[*:1]
Cc1noc(C)c1CC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 Cc1noc(C)c1[*:1] C[C@H](CNC(=O)C[*:1])Oc1ccc(Cl)cc1
Cc1noc(C)c1CC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1CC(=O)NC[C@@H](C)O[*:1]
C[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)C(C)(C)OC COC(C)(C)[*:1] C[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)[*:1]
CN(C(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)c1ccc(cc1)[N-]S(=O)(=O)CCC1CC1)[*:1]
CN(C(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1)C1CCOCC1 C1CC1C[*:1] CN(C(=O)c1ccc(cc1)[N-]S(=O)(=O)C[*:1])C1CCOCC1
CN(C(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1)C1CCOCC1 C1CC1CC[*:1] CN(C(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1])C1CCOCC1
CN(C(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1)C1CCOCC1 C1CC1[*:1] CN(C(=O)c1ccc(cc1)[N-]S(=O)(=O)CC[*:1])C1CCOCC1
COC(=O)c1sc(NC(=O)c2ccccc2S(C)(=O)=O)nc1C COC(=O)[*:1] Cc1nc(NC(=O)c2ccccc2S(C)(=O)=O)sc1[*:1]
COC(=O)c1sc(NC(=O)c2ccccc2S(C)(=O)=O)nc1C CS(=O)(=O)[*:1] COC(=O)c1sc(nc1C)NC(=O)c1ccccc1[*:1]
CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1CC1CCC1 C1CC(C1)[*:1] CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1C[*:1]
CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1CC1CCC1 C1CC(C1)C[*:1] CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1[*:1]
CNC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O CNC(=O)[*:1] N#CC(=Cc1c(nc2ccccn2c1=O)N1CCC(CC1)C(N)=O)[*:1]
CNC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O NC(=O)C1CCN(CC1)[*:1] CNC(=O)/C(C#N)=C/c1c(nc2ccccn2c1=O)[*:1]
CNC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O CNC(=O)C(C#N)=C[*:1] NC(=O)C1CCN(CC1)c1nc2ccccn2c(=O)c1[*:1]
CNC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O NC(=O)[*:1] CNC(=O)/C(C#N)=C/c1c(nc2ccccn2c1=O)N1CCC(CC1)[*:1]
Cc1nc(-c2nc[nH]n2)sc1C(=O)OCCc1c(C)n[nH]c1C c1nc(n[nH]1)[*:1] Cc1nc(sc1C(=O)OCCc1c(C)n[nH]c1C)[*:1]
Cc1nc(-c2nc[nH]n2)sc1C(=O)OCCc1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] Cc1nc(sc1C(=O)OCC[*:1])-c1nc[nH]n1
COc1cc(CNC(=O)c2cn[nH]c2C)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])CNC(=O)c1cn[nH]c1C
COc1cc(CNC(=O)c2cn[nH]c2C)ccc1OCc1ccccc1 Cc1[nH]ncc1[*:1] COc1cc(ccc1OCc1ccccc1)CNC(=O)[*:1]
COc1cc(CNC(=O)c2cn[nH]c2C)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])CNC(=O)c1cn[nH]c1C
COc1cc(CNC(=O)c2cn[nH]c2C)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])CNC(=O)c1cn[nH]c1C
CC[C@](C)([NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] O=C([O-])[*:1] CC[C@](C)([NH3+])C(=O)Nc1ccc(cc1[*:1])C(F)(F)F
CC[C@](C)([NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] FC(F)(F)[*:1] CC[C@](C)([NH3+])C(=O)Nc1ccc(cc1C(=O)[O-])[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@@H]3CC=CCC3)C2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)N[C@@H]1CC=CCC1
CCCn1ncc(CN2CCN(c3ncccc3C#N)CC2)c1C CCC[*:1] Cc1c(cnn1[*:1])CN1CCN(CC1)c1ncccc1C#N
CCCn1ncc(CN2CCN(c3ncccc3C#N)CC2)c1C N#Cc1cccnc1[*:1] CCCn1ncc(CN2CCN(CC2)[*:1])c1C
Cc1noc(Cl)c1CC(=O)N[C@H](C)Cc1c(Cl)cccc1Cl Cc1noc(Cl)c1[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C[*:1]
O=C([O-])c1ccc(Cn2ccc3ccc(Br)cc32)nc1 O=C([O-])[*:1] Brc1ccc2ccn(Cc3ccc(cn3)[*:1])c2c1
COc1cccc(CCNC(=O)Cc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] COc1cccc(c1)CCNC(=O)C[*:1]
COc1ccc(-c2nc3n(n2)[C@H](c2ccc(O)cc2)C(C(=O)Nc2ccccc2OC)=C(C)N3)cc1 Oc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc2NC(C)=C(C(=O)Nc3ccccc3OC)[C@@H](n2n1)[*:1]
COc1ccc(-c2nc3n(n2)[C@H](c2ccc(O)cc2)C(C(=O)Nc2ccccc2OC)=C(C)N3)cc1 COc1ccccc1NC(=O)[*:1] COc1ccc(cc1)-c1nc2NC(C)=C([C@@H](c3ccc(O)cc3)n2n1)[*:1]
COc1ccc(-c2nc3n(n2)[C@H](c2ccc(O)cc2)C(C(=O)Nc2ccccc2OC)=C(C)N3)cc1 COc1ccc(cc1)[*:1] COc1ccccc1NC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1ccc(O)cc1)[*:1]
COc1ccc(-c2nc3n(n2)[C@H](c2ccc(O)cc2)C(C(=O)Nc2ccccc2OC)=C(C)N3)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-c1nc2NC(C)=C(C(=O)N[*:1])[C@@H](c3ccc(O)cc3)n2n1
CC(C)[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1nc(C2CC2)no1 FC(F)[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)O[*:1])c1nc(no1)C1CC1
CC(C)[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)OC(F)F)c1nc(no1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1nc(C2CC2)no1 FC(F)O[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1nc(no1)C1CC1
CC(C)[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1nc(C2CC2)no1 CC(C)[*:1] O=C(Nc1ccc(cc1)OC(F)F)N[C@@H](c1nc(no1)C1CC1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)OC(F)F)[*:1]
CNC(=O)c1cccc(CCNC(=O)N2CCC[C@H]2c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CNC(=O)c1cccc(c1)CCNC(=O)N1CCC[C@@H]1[*:1]
CNC(=O)c1cccc(CCNC(=O)N2CCC[C@H]2c2cccc(F)c2)c1 CNC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])N1CCC[C@H]1c1cccc(F)c1
O=C(NCc1ccccn1)c1nn(CC2CC2)c2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2 c1ccc(nc1)[*:1] O=C(NC[*:1])c1nn(CC2CC2)c2CCN(Cc12)C(=O)[C@H]1COc2ccccc2C1
O=C(NCc1ccccn1)c1nn(CC2CC2)c2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2 O=C(NCc1ccccn1)[*:1] O=C([C@H]1COc2ccccc2C1)N1CCc2c(C1)c(nn2CC1CC1)[*:1]
O=C(NCc1ccccn1)c1nn(CC2CC2)c2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2 C1CC1C[*:1] O=C(NCc1ccccn1)c1nn(c2CCN(Cc12)C(=O)[C@H]1COc2ccccc2C1)[*:1]
O=C(NCc1ccccn1)c1nn(CC2CC2)c2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2 c1ccc(C[*:1])nc1 O=C(N[*:1])c1nn(CC2CC2)c2CCN(Cc12)C(=O)[C@H]1COc2ccccc2C1
O=C(NCc1ccccn1)c1nn(CC2CC2)c2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2 C1CC1[*:1] O=C(NCc1ccccn1)c1nn(C[*:1])c2CCN(Cc12)C(=O)[C@H]1COc2ccccc2C1
C[C@@H](Cc1ccsc1)N(C)C(=O)NCc1ccc(Br)cc1 c1cc(cs1)C[*:1] C[C@@H](N(C)C(=O)NCc1ccc(Br)cc1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)NCc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)NC[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)NCc1ccc(Br)cc1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N(C)C(=O)NCc1ccc(Br)cc1
CCNC(=O)NC1(C(=O)N(CC)Cc2cccs2)CCCC1 CCNC(=O)N[*:1] CCN(Cc1cccs1)C(=O)C1(CCCC1)[*:1]
CCNC(=O)NC1(C(=O)N(CC)Cc2cccs2)CCCC1 c1csc(c1)[*:1] CCNC(=O)NC1(CCCC1)C(=O)N(CC)C[*:1]
CCNC(=O)NC1(C(=O)N(CC)Cc2cccs2)CCCC1 c1csc(c1)C[*:1] CCNC(=O)NC1(CCCC1)C(=O)N(CC)[*:1]
CC[NH2+][C@H]1c2ccccc2OC[C@H]1SC[C@@H](C)CO C[C@@H](CO)[*:1] CC[NH2+][C@H]1c2ccccc2OC[C@H]1SC[*:1]
CC[NH2+][C@H]1c2ccccc2OC[C@H]1SC[C@@H](C)CO C[C@@H](CO)C[*:1] CC[NH2+][C@H]1c2ccccc2OC[C@H]1S[*:1]
CC[NH2+][C@H]1c2ccccc2OC[C@H]1SC[C@@H](C)CO C[C@@H](CO)CS[*:1] CC[NH2+][C@H]1c2ccccc2OC[C@@H]1[*:1]
CCc1cccc(CC)c1NC(=O)c1n[nH]c(C(C)C)n1 CC(C)[*:1] CCc1cccc(CC)c1NC(=O)c1n[nH]c(n1)[*:1]
C[C@@H]([C@@H](C)O)S(=O)(=O)Cc1cccc(OC(F)F)c1 FC(F)[*:1] C[C@@H]([C@@H](C)O)S(=O)(=O)Cc1cccc(c1)O[*:1]
C[C@@H]([C@@H](C)O)S(=O)(=O)Cc1cccc(OC(F)F)c1 C[C@@H](O)[*:1] C[C@@H](S(=O)(=O)Cc1cccc(c1)OC(F)F)[*:1]
C[C@@H]([C@@H](C)O)S(=O)(=O)Cc1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@@H]([C@@H](C)O)S(=O)(=O)Cc1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc3ccc(OC(F)F)cc3s2)c(Cl)cc1Cl FC(F)[*:1] CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc3ccc(cc3s2)O[*:1])c(Cl)cc1Cl
CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc3ccc(OC(F)F)cc3s2)c(Cl)cc1Cl FC(F)O[*:1] CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc3ccc(cc3s2)[*:1])c(Cl)cc1Cl
CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc3ccc(OC(F)F)cc3s2)c(Cl)cc1Cl CN(C)S(=O)(=O)[*:1] O=C(Nc1nc2ccc(cc2s1)OC(F)F)c1cc(c(Cl)cc1Cl)[*:1]
COc1ccc(OC)c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C)cc4)nc23)c1 FC(F)(F)[*:1] COc1ccc(OC)c(c1)NC(=O)c1cnn2c(cc(nc12)-c1ccc(C)cc1)[*:1]
COc1ccc(OC)c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C)cc4)nc23)c1 Cc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)c1cnn2c(cc(nc12)[*:1])C(F)(F)F
COc1ccc(OC)c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C)cc4)nc23)c1 COc1ccc(OC)c(c1)[*:1] Cc1ccc(cc1)-c1cc(n2ncc(C(=O)N[*:1])c2n1)C(F)(F)F
COC(=O)c1cc(C(C)C)c[nH]1 COC(=O)[*:1] CC(C)c1c[nH]c(c1)[*:1]
COC(=O)c1cc(C(C)C)c[nH]1 CC(C)[*:1] COC(=O)c1cc(c[nH]1)[*:1]
Cc1nc(-c2cccc(NC(=O)C[n+]3ccccc3C)c2)cs1 Cc1nc(cs1)[*:1] Cc1cccc[n+]1CC(=O)Nc1cccc(c1)[*:1]
Cc1nc(-c2cccc(NC(=O)C[n+]3ccccc3C)c2)cs1 Cc1cccc[n+]1[*:1] Cc1nc(cs1)-c1cccc(c1)NC(=O)C[*:1]
[NH3+][C@H]1CCN(c2cc(-c3ccncc3)nc(-c3ccc(C(F)(F)F)cc3)n2)C1 FC(F)(F)[*:1] [NH3+][C@H]1CCN(C1)c1cc(nc(n1)-c1ccc(cc1)[*:1])-c1ccncc1
[NH3+][C@H]1CCN(c2cc(-c3ccncc3)nc(-c3ccc(C(F)(F)F)cc3)n2)C1 c1cc(ccn1)[*:1] [NH3+][C@H]1CCN(C1)c1cc(nc(n1)-c1ccc(cc1)C(F)(F)F)[*:1]
CCC[C@@H](C#N)N1CCN(C(=O)NC2CCCC2)CC1 CCC[C@@H](C#N)[*:1] O=C(NC1CCCC1)N1CCN(CC1)[*:1]
CCC[C@@H](C#N)N1CCN(C(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] CCC[C@@H](C#N)N1CCN(CC1)C(=O)N[*:1]
CCC[C@@H](C#N)N1CCN(C(=O)NC2CCCC2)CC1 CCC[*:1] N#C[C@@H](N1CCN(CC1)C(=O)NC1CCCC1)[*:1]
C[C@@H]1[C@H](NC(=O)CC2=c3ccccc3=[NH+]C2)C(=O)N(c2ccccc2)N1C c1ccc(cc1)[*:1] C[C@@H]1[C@H](NC(=O)CC2C[NH+]=c3ccccc3=2)C(=O)N(N1C)[*:1]
C[C@@H]1NC(C(=O)NC[C@@H](C2CC2)[NH+](C)C)=NN(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H]1NC(=NN(C1=O)[*:1])C(=O)NC[C@@H](C1CC1)[NH+](C)C
C[C@@H]1NC(C(=O)NC[C@@H](C2CC2)[NH+](C)C)=NN(c2ccccc2)C1=O C1CC1[*:1] C[C@@H]1NC(=NN(C1=O)c1ccccc1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CSc1nn(-c2ccccc2)cc1/C(N)=N/OC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CSc1nn(cc1/C(N)=N/OC(=O)Nc1ccccc1)[*:1]
CSc1nn(-c2ccccc2)cc1/C(N)=N/OC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CSc1nn(cc1/C(N)=N/OC(=O)N[*:1])-c1ccccc1
C[C@H](O)c1cccc(OCc2ccc(Cl)s2)c1 C[C@H](O)[*:1] Clc1ccc(COc2cccc(c2)[*:1])s1
C[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)c1ccc(cc1)[*:1]
CCCN[C@]1(C#N)CC[C@@H](Sc2ccc(Cl)cn2)C1 CCC[*:1] N#C[C@]1(CC[C@H](C1)Sc1ccc(Cl)cn1)N[*:1]
CCCN[C@]1(C#N)CC[C@@H](Sc2ccc(Cl)cn2)C1 CCCN[*:1] N#C[C@@]1(CC[C@H](C1)Sc1ccc(Cl)cn1)[*:1]
COc1ccc(OC)c(NC(=O)CSc2ncn(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)CSc1ncn(n1)[*:1]
CCC[NH2+][C@@H](Cc1ccncc1)[C@H]1C[NH+]2CCN1CC2 c1cc(ccn1)[*:1] CCC[NH2+][C@@H](C[*:1])[C@H]1C[NH+]2CCN1CC2
CCC[NH2+][C@@H](Cc1ccncc1)[C@H]1C[NH+]2CCN1CC2 CCC[*:1] c1cc(ccn1)C[C@H]([NH2+][*:1])[C@H]1C[NH+]2CCN1CC2
C[C@@]1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCO1 C[C@]1(CCCO1)[*:1] C1CC[C@@H]2C[C@@H](CC[C@@H]2C1)[NH2+]C[*:1]
CCNC(=O)c1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1 CCNC(=O)[*:1] FC(F)(F)c1cnc(NCc2ccc(cc2)[*:1])c(Cl)c1
CCNC(=O)c1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1 FC(F)(F)[*:1] CCNC(=O)c1ccc(cc1)CNc1ncc(cc1Cl)[*:1]
Cc1ccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(=O)[C@@H]32)o1 Cc1ccc(o1)[*:1] CC1(C)CC(=O)[C@H]2C(C1)=Nc1ccccc1N[C@H]2[*:1]
CC[C@@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1ccc(C)c(F)c1 c1ccc(cc1)[*:1] CC[C@@H](N[C@H](C(=O)N(C)C)[*:1])c1ccc(C)c(F)c1
CC[C@@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1ccc(C)c(F)c1 CN(C)C(=O)[*:1] CC[C@@H](N[C@H](c1ccccc1)[*:1])c1ccc(C)c(F)c1
CC[C@@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](N[C@H](C(=O)N(C)C)c1ccccc1)[*:1]
O=C(C1CCC1)N1CCN(c2ccc(F)cc2)CC1 C1CC(C1)[*:1] O=C(N1CCN(CC1)c1ccc(F)cc1)[*:1]
CCc1ccc(O[C@H](C)C(=O)Oc2cccc(C(=O)[O-])c2)cc1 O=C([O-])[*:1] CCc1ccc(cc1)O[C@H](C)C(=O)Oc1cccc(c1)[*:1]
CCCOc1ccccc1[C@H](N)C(=O)OCC CCC[*:1] CCOC(=O)[C@@H](N)c1ccccc1O[*:1]
CCCOc1ccccc1[C@H](N)C(=O)OCC CCOC(=O)[*:1] CCCOc1ccccc1[C@H](N)[*:1]
CCCOc1ccccc1[C@H](N)C(=O)OCC CCCO[*:1] CCOC(=O)[C@@H](N)c1ccccc1[*:1]
CC1(C)C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 O=[N+]([O-])[*:1] CC1(C)C[NH+](CCS1)CCn1cc(ccc1=O)[*:1]
COc1ccccc1CNC(=O)CSc1nc2ccccc2c2nc(=O)c(C)nn12 COc1ccccc1C[*:1] Cc1nn2c(nc3ccccc3c2nc1=O)SCC(=O)N[*:1]
COc1ccccc1CNC(=O)CSc1nc2ccccc2c2nc(=O)c(C)nn12 COc1ccccc1[*:1] Cc1nn2c(nc3ccccc3c2nc1=O)SCC(=O)NC[*:1]
O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC(CC(=O)N2CCCC2)CC1 c1ccc2c(cccc2c1)[*:1] O=C(C[*:1])NCC(=O)N1CCC(CC1)CC(=O)N1CCCC1
O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC(CC(=O)N2CCCC2)CC1 O=C(C[*:1])N1CCCC1 O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC(CC1)[*:1]
O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC(CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC(CC1)C[*:1]
Cc1ccc(NC(=O)CS(=O)(=O)Cc2cccc3ccccc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CS(=O)(=O)Cc1cccc2ccccc12)N[*:1]
COc1cccc(CNC(=O)Cc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)c1 COc1cccc(c1)[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)NC[*:1]
COc1cccc(CNC(=O)Cc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)Cc1c(C)nc2c(c(C)nn2c1C)[*:1]
COc1cccc(CNC(=O)Cc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)c1 COc1cccc(c1)C[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)N[*:1]
C[C@H]1C[NH2+]C[C@H](C)N1CCC(C)(C)O CC(C)(O)[*:1] C[C@H]1C[NH2+]C[C@H](C)N1CC[*:1]
Cc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc3nsnc3c2)CC1 Cc1ccccc1[*:1] O=C(Nc1ccnn1C1CC[NH+](CC1)Cc1ccc2nsnc2c1)N[*:1]
Cc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc3nsnc3c2)CC1 c1cc2nsnc2cc1[*:1] Cc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](CC1)C[*:1]
O=C(COC(=O)Cc1ccccc1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COC(=O)Cc1ccccc1)N[*:1]
O=C(COC(=O)Cc1ccccc1)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(COC(=O)C[*:1])Nc1ccc(F)cc1
O=C(COC(=O)Cc1ccccc1)Nc1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(COC(=O)[*:1])Nc1ccc(F)cc1
C[C@H](Nc1cc(N)nc(N2CCCC2)n1)c1cn2ccsc2n1 C1CCN(C1)[*:1] C[C@H](Nc1cc(N)nc(n1)[*:1])c1cn2ccsc2n1
CCC(=O)N1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 FC(F)O[*:1] CCC(=O)N1CCN(CC1)Cc1ccc(c(F)c1)[*:1]
CCC(=O)N1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 FC(F)[*:1] CCC(=O)N1CCN(CC1)Cc1ccc(O[*:1])c(F)c1
CC[NH2+][C@H]1[C@@H]([S@@](=O)CC2CCCC2)CCC1(C)C C1CCC(C1)C[*:1] CC[NH2+][C@H]1[C@H](CCC1(C)C)[S@@](=O)[*:1]
CC[NH2+][C@H]1[C@@H]([S@@](=O)CC2CCCC2)CCC1(C)C C1CCC(C1)[*:1] CC[NH2+][C@H]1[C@H](CCC1(C)C)[S@@](=O)C[*:1]
CCCn1ncnc1C[C@@H]([NH2+]CC)c1c(F)cccc1F CCC[*:1] CC[NH2+][C@H](Cc1ncnn1[*:1])c1c(F)cccc1F
CC[C@@H](CS)COc1cccc(C(=O)OC)c1 COC(=O)[*:1] CC[C@@H](CS)COc1cccc(c1)[*:1]
C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccc(Cl)cc1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)c1cc(ccc1F)[*:1])c1ccc(Cl)cc1
C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cc(ccc1F)S(N)(=O)=O)[*:1]
CC(=O)[C@H](C)n1c(CCCNC(=O)[C@@H]2CCCO2)nc2ccccc21 O=C(N[*:1])[C@@H]1CCCO1 CC(=O)[C@H](C)n1c(CCC[*:1])nc2ccccc21
CC(=O)[C@H](C)n1c(CCCNC(=O)[C@@H]2CCCO2)nc2ccccc21 C1CO[C@@H](C1)[*:1] CC(=O)[C@H](C)n1c(CCCNC(=O)[*:1])nc2ccccc21
CC(=O)[C@H](C)n1c(CCCNC(=O)[C@@H]2CCCO2)nc2ccccc21 CC(=O)[*:1] C[C@H](n1c(CCCNC(=O)[C@@H]2CCCO2)nc2ccccc21)[*:1]
CC(=O)[C@H](C)n1c(CCCNC(=O)[C@@H]2CCCO2)nc2ccccc21 CC(=O)[C@H](C)[*:1] O=C(NCCCc1nc2ccccc2n1[*:1])[C@@H]1CCCO1
C[C@@H](OC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(Cl)s1 O=[N+]([O-])[*:1] C[C@@H](OC(=O)[C@@H]1C[C@H]1[*:1])c1ccc(Cl)s1
C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1C(C)(C)C C=CC[*:1] CC(C)(C)c1nnc(SCc2nnc(o2)-c2ccc(Cl)cc2)n1[*:1]
C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1C(C)(C)C Clc1ccc(cc1)[*:1] C=CCn1c(nnc1C(C)(C)C)SCc1nnc(o1)[*:1]
C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1C(C)(C)C CC(C)(C)[*:1] C=CCn1c(nnc1[*:1])SCc1nnc(o1)-c1ccc(Cl)cc1
Cc1cc(NC(=O)COc2cccc([C@H](C)O)c2)no1 C[C@H](O)[*:1] Cc1cc(no1)NC(=O)COc1cccc(c1)[*:1]
Cc1cc(NC(=O)COc2cccc([C@H](C)O)c2)no1 Cc1cc(no1)[*:1] C[C@H](O)c1cccc(c1)OCC(=O)N[*:1]
CC[C@@](C)(O)c1cccc(OC(C)C)c1 CC(C)O[*:1] CC[C@@](C)(O)c1cccc(c1)[*:1]
CC[C@@](C)(O)c1cccc(OC(C)C)c1 CC[C@@](C)(O)[*:1] CC(C)Oc1cccc(c1)[*:1]
CC[C@@](C)(O)c1cccc(OC(C)C)c1 CC(C)[*:1] CC[C@@](C)(O)c1cccc(c1)O[*:1]
C[C@@H]1CCC[C@@H](CSCC(=O)NCC(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H]1CCC[C@@H](CSCC(=O)NC[*:1])C1
C[C@@H]1CCC[C@@H](CSCC(=O)NCC(F)(F)F)C1 FC(F)(F)C[*:1] C[C@@H]1CCC[C@@H](CSCC(=O)N[*:1])C1
CCN(c1ccccc1S(=O)(=O)NC)C1CCC([NH3+])CC1 CNS(=O)(=O)[*:1] CCN(c1ccccc1[*:1])C1CCC([NH3+])CC1
O=C(C[C@H]1CCS(=O)(=O)C1)NCc1cccc(Cn2cncn2)c1 c1ncn(n1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)NCc1cccc(c1)C[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)NCc1cccc(Cn2cncn2)c1 c1ncn(C[*:1])n1 O=C(C[C@H]1CCS(=O)(=O)C1)NCc1cccc(c1)[*:1]
O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1cccc(c1)[*:1]
O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1cccc(N2CCCC2=O)c1 c1ccc(cc1)[*:1] O=C(CSc1ncnc2c1cnn2[*:1])c1cccc(c1)N1CCCC1=O
COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccccc1F Fc1ccccc1CO[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(=O)Nc2nc(C)[nH]c(=O)c21
COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccccc1F Fc1ccccc1[*:1] COc1cc(ccc1OC[*:1])[C@@H]1CC(=O)Nc2nc(C)[nH]c(=O)c21
COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccccc1F Fc1ccccc1C[*:1] COc1cc(ccc1O[*:1])[C@@H]1CC(=O)Nc2nc(C)[nH]c(=O)c21
CC(C)C(=O)Nc1ccc(O[C@@H](C)c2nc(Cc3ccccc3)no2)cc1 c1ccc(cc1)C[*:1] CC(C)C(=O)Nc1ccc(cc1)O[C@@H](C)c1nc(no1)[*:1]
CC(C)C(=O)Nc1ccc(O[C@@H](C)c2nc(Cc3ccccc3)no2)cc1 CC(C)[*:1] C[C@H](Oc1ccc(cc1)NC(=O)[*:1])c1nc(Cc2ccccc2)no1
CC(C)C(=O)Nc1ccc(O[C@@H](C)c2nc(Cc3ccccc3)no2)cc1 CC(C)C(=O)N[*:1] C[C@H](Oc1ccc(cc1)[*:1])c1nc(Cc2ccccc2)no1
CC(C)C(=O)Nc1ccc(O[C@@H](C)c2nc(Cc3ccccc3)no2)cc1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)O[C@@H](C)c1nc(C[*:1])no1
COC(=O)CN(C)Cc1ccnc2ccccc12 COC(=O)[*:1] CN(Cc1ccnc2ccccc12)C[*:1]
COC(=O)CN(C)Cc1ccnc2ccccc12 COC(=O)C[*:1] CN(Cc1ccnc2ccccc12)[*:1]
CC(C)N1CC[C@@H]([NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1=O CC(C)[*:1] C[C@H]([NH2+][C@@H]1CCN(C1=O)[*:1])[C@@H](C)c1nc2ccccc2s1
CCOc1ccccc1/C=C/C(=O)Nc1nc(C)cs1 CCO[*:1] Cc1csc(n1)NC(=O)/C=C/c1ccccc1[*:1]
CCOc1ccccc1/C=C/C(=O)Nc1nc(C)cs1 Cc1csc(n1)[*:1] CCOc1ccccc1/C=C/C(=O)N[*:1]
Fc1cccc(CC2CCN(c3nc(C4CC4)no3)CC2)c1 Fc1cccc(c1)[*:1] C1CN(CCC1C[*:1])c1nc(no1)C1CC1
Fc1cccc(CC2CCN(c3nc(C4CC4)no3)CC2)c1 C1CC1[*:1] Fc1cccc(c1)CC1CCN(CC1)c1nc(no1)[*:1]
COC(=O)C(C)(C)CNc1ccccc1SC(F)F FC(F)[*:1] COC(=O)C(C)(C)CNc1ccccc1S[*:1]
COC(=O)C(C)(C)CNc1ccccc1SC(F)F FC(F)S[*:1] COC(=O)C(C)(C)CNc1ccccc1[*:1]
COC(=O)C(C)(C)CNc1ccccc1SC(F)F COC(=O)[*:1] CC(C)(CNc1ccccc1SC(F)F)[*:1]
COc1ccc([C@H](NC(=O)NCc2ccc(C)cc2OC)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)NCc1ccc(C)cc1OC)[*:1]
COc1ccc([C@H](NC(=O)NCc2ccc(C)cc2OC)C2CCOCC2)cc1 COc1cc(C)ccc1[*:1] COc1ccc(cc1)[C@H](NC(=O)NC[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)NCc2ccc(C)cc2OC)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] COc1cc(C)ccc1CNC(=O)N[C@H](C1CCOCC1)[*:1]
C[C@@H](c1ccccc1)S(=O)(=O)CC(=O)Nc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@@H](c1ccccc1)S(=O)(=O)CC(=O)Nc1ccc(cc1)[*:1]
C[C@@H](c1ccccc1)S(=O)(=O)CC(=O)Nc1ccc(C(C)(C)C)cc1 c1ccc(cc1)[*:1] C[C@@H](S(=O)(=O)CC(=O)Nc1ccc(cc1)C(C)(C)C)[*:1]
C[C@H](c1ccncc1)N(C)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 c1cc(ccn1)[*:1] C[C@H](N(C)C(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1nc(no1)[*:1]
COc1c(Cl)cccc1NC(=O)c1occc1COc1ccccc1 c1ccc(cc1)O[*:1] COc1c(Cl)cccc1NC(=O)c1occc1C[*:1]
COc1c(Cl)cccc1NC(=O)c1occc1COc1ccccc1 c1ccc(cc1)[*:1] COc1c(Cl)cccc1NC(=O)c1occc1CO[*:1]
COc1c(Cl)cccc1NC(=O)c1occc1COc1ccccc1 c1ccc(cc1)OC[*:1] COc1c(Cl)cccc1NC(=O)c1occc1[*:1]
O=C(NCc1cccnc1)C1CCN(c2nnc3ccccn23)CC1 c1cncc(c1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1nnc2ccccn12
O=C(NCc1cccnc1)C1CCN(c2nnc3ccccn23)CC1 c1cncc(c1)C[*:1] O=C(N[*:1])C1CCN(CC1)c1nnc2ccccn12
Cc1ccc2[nH+]c(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)[nH]c2c1 c1cncc(c1)[*:1] Cc1ccc2[nH+]c([nH]c2c1)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1ccc2[nH+]c(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)[nH]c2c1 c1cncc(c1)C[*:1] Cc1ccc2[nH+]c([nH]c2c1)N1CCC[C@H](C1)C(=O)N[*:1]
COCCn1nc(C)c(NS(=O)(=O)/C=C/c2ccc(C)cc2)c1C COC[*:1] Cc1ccc(/C=C/S(=O)(=O)Nc2c(C)nn(C[*:1])c2C)cc1
COCCn1nc(C)c(NS(=O)(=O)/C=C/c2ccc(C)cc2)c1C Cc1ccc(cc1)[*:1] COCCn1nc(C)c(NS(=O)(=O)C=C[*:1])c1C
COCCn1nc(C)c(NS(=O)(=O)/C=C/c2ccc(C)cc2)c1C COCC[*:1] Cc1ccc(/C=C/S(=O)(=O)Nc2c(C)nn(c2C)[*:1])cc1
CN(Cc1cnc(Cl)s1)[C@H]1CCN(c2ccccc2F)C1=O Clc1ncc(C[*:1])s1 CN([C@H]1CCN(C1=O)c1ccccc1F)[*:1]
CN(Cc1cnc(Cl)s1)[C@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] CN(Cc1cnc(Cl)s1)[C@H]1CCN(C1=O)[*:1]
CN(Cc1cnc(Cl)s1)[C@H]1CCN(c2ccccc2F)C1=O Clc1ncc(s1)[*:1] CN(C[*:1])[C@H]1CCN(C1=O)c1ccccc1F
Cc1noc(C)c1S(=O)(=O)NC1C2CC3CC(C2)CC1C3 Cc1noc(C)c1[*:1] O=S(=O)(NC1C2CC3CC(C2)CC1C3)[*:1]
C/C(C(=O)c1ccc(Cl)cc1)=C1\Nc2ccc(Cl)cc2NC1=O Clc1ccc(cc1)[*:1] C/C(C(=O)[*:1])=C1\Nc2ccc(Cl)cc2NC1=O
CCOc1cccc2cc([C@@H](C)NC(=O)[C@H]3CCO[C@@H]3C)oc12 CCO[*:1] C[C@@H](NC(=O)[C@H]1CCO[C@@H]1C)c1cc2cccc(c2o1)[*:1]
CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1CC(N)=O)c1c(F)cccc1F NC(=O)C[*:1] CC(=O)N[C@H](CC(=O)N1CCCC[C@H]1[*:1])c1c(F)cccc1F
CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1CC(N)=O)c1c(F)cccc1F CC(=O)N[*:1] NC(=O)C[C@H]1CCCCN1C(=O)C[C@H](c1c(F)cccc1F)[*:1]
CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1CC(N)=O)c1c(F)cccc1F Fc1cccc(F)c1[*:1] CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1CC(N)=O)[*:1]
CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1CC(N)=O)c1c(F)cccc1F NC(=O)[*:1] CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1C[*:1])c1c(F)cccc1F
COc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 c1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCOCC1)NC(=O)C1(CC1)[*:1]
COc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1[*:1])NC(=O)C1(CC1)c1ccccc1
COc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 c1ccc(cc1)C1(CC1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCOCC1)NC(=O)[*:1]
Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@H]4CCOc5ccccc54)c23)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1ncnc2scc(c12)[*:1])N[C@H]1CCOc2ccccc21
Cc1c(NC(=O)C(=O)NCc2ccc3ccccc3c2)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)NCc1ccc2ccccc2c1
CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 CC(C)(C)[*:1] CCN1C(=O)Cc2cc(ccc21)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)N[C@@]1(C(=O)[O-])CCCc2ccccc21 O=C([O-])[*:1] CC(=O)N[C@]1(CCCc2ccccc21)[*:1]
CC(=O)N[C@@]1(C(=O)[O-])CCCc2ccccc21 CC(=O)N[*:1] O=C([O-])[C@]1(CCCc2ccccc21)[*:1]
C[C@@H](CNC(=O)c1cccnc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1cccnc1Cl)[*:1]
CCOc1ccc(N)c(SCc2ccccc2C(=O)[O-])c1 CCO[*:1] Nc1ccc(cc1SCc1ccccc1C(=O)[O-])[*:1]
CCOc1ccc(N)c(SCc2ccccc2C(=O)[O-])c1 O=C([O-])[*:1] CCOc1ccc(N)c(c1)SCc1ccccc1[*:1]
COc1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2C)n1 O=[N+]([O-])[*:1] COc1cccc(n1)C(=O)Oc1cccc(c1C)[*:1]
CC(=O)N1CC[C@@H]([NH2+][C@@H](c2cc(C)sc2C)C(C)C)C1 CC(C)[*:1] CC(=O)N1CC[C@H](C1)[NH2+][C@@H](c1cc(C)sc1C)[*:1]
C[C@H](CO)CSCc1oc2ccccc2c1C(=O)NN C[C@H](CO)C[*:1] NNC(=O)c1c(CS[*:1])oc2ccccc12
C[C@H](CO)CSCc1oc2ccccc2c1C(=O)NN C[C@H](CO)[*:1] NNC(=O)c1c(CSC[*:1])oc2ccccc12
C[C@H](CO)CSCc1oc2ccccc2c1C(=O)NN NNC(=O)[*:1] C[C@H](CO)CSCc1oc2ccccc2c1[*:1]
Cc1oc(C(=O)Nc2ccnn2CC(C)C)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)Nc1ccnn1CC(C)C
Cc1oc(C(=O)Nc2ccnn2CC(C)C)cc1S(=O)(=O)N(C)C CC(C)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)Nc1ccnn1C[*:1]
Cc1oc(C(=O)Nc2ccnn2CC(C)C)cc1S(=O)(=O)N(C)C CC(C)C[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)Nc1ccnn1[*:1]
CNC(=O)NC(=O)[C@H](Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@H](Nc1ccc(cc1)C(=O)Nc1ccc(cc1)OC)[*:1]
CNC(=O)NC(=O)[C@H](Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 COc1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@H](Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1
CNC(=O)NC(=O)[C@H](Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 CNC(=O)NC(=O)[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)N[C@H](c1ccccc1)[*:1]
COc1cccc(Cc2ccc([C@H]3CCCN(C(=O)CCn4cnnn4)C3)nc2)c1 COc1cccc(c1)C[*:1] O=C(CCn1cnnn1)N1CCC[C@@H](C1)c1ccc(cn1)[*:1]
COc1cccc(Cc2ccc([C@H]3CCCN(C(=O)CCn4cnnn4)C3)nc2)c1 c1nnnn1C[*:1] COc1cccc(c1)Cc1ccc(nc1)[C@H]1CCCN(C1)C(=O)C[*:1]
COc1cccc(Cc2ccc([C@H]3CCCN(C(=O)CCn4cnnn4)C3)nc2)c1 COc1cccc(c1)[*:1] O=C(CCn1cnnn1)N1CCC[C@@H](C1)c1ccc(cn1)C[*:1]
COc1cccc(Cc2ccc([C@H]3CCCN(C(=O)CCn4cnnn4)C3)nc2)c1 c1nnnn1[*:1] COc1cccc(c1)Cc1ccc(nc1)[C@H]1CCCN(C1)C(=O)CC[*:1]
COc1cccc(Cc2ccc([C@H]3CCCN(C(=O)CCn4cnnn4)C3)nc2)c1 c1nnnn1CC[*:1] COc1cccc(c1)Cc1ccc(nc1)[C@H]1CCCN(C1)C(=O)[*:1]
CCOC(OCC)[C@H]1CCO[C@@H]1c1ccccc1 CCO[*:1] CCOC([C@H]1CCO[C@@H]1c1ccccc1)[*:1]
CCOC(OCC)[C@H]1CCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(OCC)[C@H]1CCO[C@H]1[*:1]
CCNS(=O)(=O)[C@@H]1CCN(c2nc(-c3ccccn3)nc(C)c2C)C1 c1ccc(nc1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)c1nc(nc(C)c1C)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(c2nc(-c3ccccn3)nc(C)c2C)C1 CCNS(=O)(=O)[*:1] Cc1nc(nc(c1C)N1CC[C@H](C1)[*:1])-c1ccccn1
O=C(Nc1cccc(-n2cnnc2)c1)[C@H]1COCCO1 c1nncn1[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1COCCO1
O=C(Nc1cccc(-n2cnnc2)c1)[C@H]1COCCO1 C1CO[C@H](CO1)[*:1] O=C(Nc1cccc(c1)-n1cnnc1)[*:1]
COc1ccc(CC[NH+]2CCN(Cn3ncn(C)c3=S)CC2)cc1 Cn1cnn(C[*:1])c1=S COc1ccc(cc1)CC[NH+]1CCN(CC1)[*:1]
COc1ccc(CC[NH+]2CCN(Cn3ncn(C)c3=S)CC2)cc1 Cn1cnn(c1=S)[*:1] COc1ccc(cc1)CC[NH+]1CCN(CC1)C[*:1]
COc1ccc(CC[NH+]2CCN(Cn3ncn(C)c3=S)CC2)cc1 COc1ccc(cc1)[*:1] Cn1cnn(CN2CC[NH+](CC2)CC[*:1])c1=S
CC(=O)N[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCCC[C@@H]1C)[*:1]
CC(=O)N[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1C)[*:1]
CC(=O)N[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(C)cc1 C[C@H]1CCCC[C@H]1[*:1] CC(=O)N[C@H](CC(=O)N[*:1])c1ccc(C)cc1
Cc1n[nH]c(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)n1 NC(=O)[*:1] Cc1n[nH]c(n1)C(=O)N1C[C@@H](CC[C@H]1C)[*:1]
Cc1n[nH]c(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)n1 Cc1n[nH]c(n1)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)[*:1])C(N)=O
CCC[C@H]1CN(C(=O)c2sc(CC(C)C)nc2C)CCO1 CCC[*:1] Cc1nc(CC(C)C)sc1C(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)c2sc(CC(C)C)nc2C)CCO1 CC(C)C[*:1] CCC[C@H]1CN(CCO1)C(=O)c1sc(nc1C)[*:1]
CCC[C@H]1CN(C(=O)c2sc(CC(C)C)nc2C)CCO1 CC(C)[*:1] CCC[C@H]1CN(CCO1)C(=O)c1sc(C[*:1])nc1C
Cc1cc(C)c(NC(=O)C[C@H](C(=O)[O-])[NH+]2CCN(C)CC2)c(C)c1 O=C([O-])[*:1] Cc1cc(C)c(NC(=O)C[C@H]([NH+]2CCN(C)CC2)[*:1])c(C)c1
Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1S(=O)(=O)NC[*:1])N1C(=O)CCS1(=O)=O
Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])N1C(=O)CCS1(=O)=O
Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H]1CCCO1 O=C1CCS(=O)(=O)N1[*:1] Cc1ccc(cc1S(=O)(=O)NC[C@H]1CCCO1)[*:1]
C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(cc1)NC(=O)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc(N2CCOC2=O)cc1)c1ccccc1 CC(C)[*:1] O=C(Nc1ccc(cc1)N1CCOC1=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc(N2CCOC2=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)N1CCOC1=O)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc(N2CCOC2=O)cc1)c1ccccc1 O=C1OCCN1[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccccc1
C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1nccs1 c1csc(n1)[*:1] C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)[*:1]
C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ncoc1C1CC1)CC2 C[C@H](O)CCNS(=O)(=O)[*:1] O=C(c1ncoc1C1CC1)N1CCc2ccc(cc2C1)[*:1]
C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ncoc1C1CC1)CC2 c1nc(c(o1)C1CC1)[*:1] C[C@H](O)CCNS(=O)(=O)c1ccc2CCN(Cc2c1)C(=O)[*:1]
C[C@H](O)CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)c1ncoc1C1CC1)CC2 C1CC1[*:1] C[C@H](O)CCNS(=O)(=O)c1ccc2CCN(Cc2c1)C(=O)c1ncoc1[*:1]
CC(C)c1cs/c(=N\S(=O)(=O)Cc2ccc(F)cc2F)[nH]1 CC(C)[*:1] O=S(=O)(Cc1ccc(F)cc1F)/N=c1/[nH]c(cs1)[*:1]
C[NH+](C)CCCNC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C C[NH+](C)CC[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NC[*:1]
C[NH+](C)CCCNC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C O=C([O-])[*:1] C[NH+](C)CCCNC(=O)[C@@H]1[C@@H](C1(C)C)[*:1]
Cc1ccc([C@@H](C)O)c(OCc2nc(C(C)(C)C)cs2)c1 CC(C)(C)[*:1] Cc1ccc(c(c1)OCc1nc(cs1)[*:1])[C@@H](C)O
Cc1ccc([C@@H](C)O)c(OCc2nc(C(C)(C)C)cs2)c1 C[C@@H](O)[*:1] Cc1ccc(c(c1)OCc1nc(cs1)C(C)(C)C)[*:1]
CC[NH+]1CCN(CCCNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 O=S1(=O)CC[C@@H](C1)[*:1] CC[NH+]1CCN(CCCNC(=O)N[*:1])CC1
CCN[C@@]1(C#N)CC[C@H](Sc2cccc(C)c2)C1 CCN[*:1] Cc1cccc(c1)S[C@H]1CC[C@](C#N)(C1)[*:1]
COC(=O)c1ccc(NCC2CCOCC2)c(F)c1F COC(=O)[*:1] Fc1c(ccc(c1F)[*:1])NCC1CCOCC1
COC(=O)c1ccc(NCC2CCOCC2)c(F)c1F C1CC(CCO1)[*:1] COC(=O)c1ccc(NC[*:1])c(F)c1F
CCc1ccsc1CNC(=O)Nc1ccc2c(c1)CCO2 CCc1ccsc1[*:1] O=C(NC[*:1])Nc1ccc2OCCc2c1
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCOc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCO[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCOc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)CC[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCOc1ccccc1 Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)CCOc1ccccc1)[*:1]
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cnccn1 O=[N+]([O-])[*:1] CCn1c(nnc1-c1cnccn1)SCc1ccc(cc1)[*:1]
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cnccn1 c1cnc(cn1)[*:1] CCn1c(nnc1[*:1])SCc1ccc(cc1)[N+](=O)[O-]
CC(C)(C)Oc1cccc(-c2cc(=O)n3nccc3[nH]2)c1 CC(C)(C)O[*:1] O=c1cc([nH]c2ccnn12)-c1cccc(c1)[*:1]
CC(C)(C)Oc1cccc(-c2cc(=O)n3nccc3[nH]2)c1 CC(C)(C)[*:1] O=c1cc([nH]c2ccnn12)-c1cccc(c1)O[*:1]
CCCCC(=O)NCc1cnc(C)s1 CCC[*:1] Cc1ncc(CNC(=O)C[*:1])s1
CCCCC(=O)NCc1cnc(C)s1 CCCC[*:1] Cc1ncc(CNC(=O)[*:1])s1
Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(C#N)cc2)s1 N#Cc1ccc(cc1)[*:1] Cc1nc(-c2cccs2)c(CCC(=O)N[*:1])s1
Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(C#N)cc2)s1 c1csc(c1)[*:1] Cc1nc(c(CCC(=O)Nc2ccc(C#N)cc2)s1)[*:1]
Cc1nn(CCC(C)(C)O)c(C)c1Br CC(C)(O)[*:1] Cc1nn(CC[*:1])c(C)c1Br
CCOC(=O)c1sc(COc2ccc(Cl)c(C)c2)nc1C CCOC(=O)[*:1] Cc1cc(ccc1Cl)OCc1nc(C)c(s1)[*:1]
O=C(CCc1cccs1)N1CCCCC[C@H]1c1ccccc1 c1csc(c1)CC[*:1] O=C(N1CCCCC[C@H]1c1ccccc1)[*:1]
O=C(CCc1cccs1)N1CCCCC[C@H]1c1ccccc1 c1csc(c1)[*:1] O=C(CC[*:1])N1CCCCC[C@H]1c1ccccc1
O=C(CCc1cccs1)N1CCCCC[C@H]1c1ccccc1 c1csc(c1)C[*:1] O=C(C[*:1])N1CCCCC[C@H]1c1ccccc1
O=C(CCc1cccs1)N1CCCCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1cccs1)N1CCCCC[C@@H]1[*:1]
O=C(Nc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 O=C(Nc1ccccc1Cl)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCN(CC1)c1ccccc1
O=C(Nc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1Cl)c1cccc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
O=C(Nc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 Clc1ccccc1[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1
CC(C)(CNC(=O)NC[C@H]1CCC[C@@H]1O)[NH+]1CCCCC1 O[C@H]1CCC[C@@H]1C[*:1] CC(C)(CNC(=O)N[*:1])[NH+]1CCCCC1
CC(C)(CNC(=O)NC[C@H]1CCC[C@@H]1O)[NH+]1CCCCC1 O[C@H]1CCC[C@@H]1[*:1] CC(C)(CNC(=O)NC[*:1])[NH+]1CCCCC1
CCN[C@@H](c1cncnc1)[C@@H]1CSCCS1 CCN[*:1] c1ncc(cn1)[C@@H]([C@@H]1CSCCS1)[*:1]
CCc1nnc(SCC(=O)Nc2ccccc2OC)n1-n1cccc1 COc1ccccc1[*:1] CCc1nnc(SCC(=O)N[*:1])n1-n1cccc1
Cn1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3)n2)n1 Cn1ccc(n1)[*:1] c1[nH]c2CN[C@@H](Cc2[nH+]1)c1nc(no1)[*:1]
COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1n[nH]c(=S)n1/N=C/c1ccc(cc1)O[*:1]
COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 c1ccc(cc1)CO[*:1] COc1ccc(cc1)-c1n[nH]c(=S)n1/N=C/c1ccc(cc1)[*:1]
COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 COc1ccc(cc1)[*:1] S=c1[nH]nc(n1/N=C/c1ccc(cc1)OCc1ccccc1)[*:1]
COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1n[nH]c(=S)n1/N=C/c1ccc(cc1)OC[*:1]
CC[NH+](CC)C[C@H](F)C(=O)[O-] O=C([O-])[*:1] CC[NH+](CC)C[C@H](F)[*:1]
C[C@@H](CC(=O)NC[C@H](C)c1cccs1)c1cccc(F)c1 C[C@H](c1cccs1)[*:1] C[C@@H](CC(=O)NC[*:1])c1cccc(F)c1
C[C@@H](CC(=O)NC[C@H](C)c1cccs1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](CNC(=O)C[C@H](C)[*:1])c1cccs1
C[C@@H](CC(=O)NC[C@H](C)c1cccs1)c1cccc(F)c1 c1csc(c1)[*:1] C[C@@H](CC(=O)NC[C@H](C)[*:1])c1cccc(F)c1
CC[C@@H](C)n1ncc(C(=O)Nc2ncnn2C)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ncnn2C)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2ncnn2C)c1C1CC1 Cn1ncnc1[*:1] CC[C@@H](C)n1ncc(C(=O)N[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)Nc2ncnn2C)c1C1CC1 CC[C@@H](C)[*:1] Cn1ncnc1NC(=O)c1cnn(c1C1CC1)[*:1]
C1=C(CN2CCCN(c3nccs3)CC2)COCC1 c1csc(n1)[*:1] C1CCOCC=1CN1CCCN(CC1)[*:1]
Cc1nc2c([nH]c3ccccc32)c(=O)n1/N=C\c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nc2c([nH]c3ccccc32)c(=O)n1N=C[*:1]
O=C(Nc1ccccc1-n1cccn1)c1ccc(Br)s1 c1cnn(c1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Br)s1
O=C(Nc1ccccc1-n1cccn1)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(Nc1ccccc1-n1cccn1)[*:1]
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCC(C)(C)C CC(C)(C)C[*:1] CN(C)c1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N(C)C
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCC(C)(C)C CC(C)(C)[*:1] CN(C)c1ccc(cc1NC(=O)CC[*:1])S(=O)(=O)N(C)C
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCC(C)(C)C CN(C)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)NC(=O)CCC(C)(C)C)[*:1]
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCC(C)(C)C CC(C)(C)CC[*:1] CN(C)c1ccc(cc1NC(=O)[*:1])S(=O)(=O)N(C)C
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCC(C)(C)C CN(C)S(=O)(=O)[*:1] CN(C)c1ccc(cc1NC(=O)CCC(C)(C)C)[*:1]
N#Cc1cccc(OCC(=O)N2CCCC[C@H]2C(N)=O)c1 NC(=O)[*:1] N#Cc1cccc(c1)OCC(=O)N1CCCC[C@@H]1[*:1]
Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC[C@@H](c3nnc(C(F)(F)F)o3)C1)CS2 FC(F)(F)[*:1] Cc1nc2SC[C@H](CC(=O)N3CCC[C@H](C3)c3nnc(o3)[*:1])n2c(=O)c1C
Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC[C@@H](c3nnc(C(F)(F)F)o3)C1)CS2 FC(F)(F)c1nnc(o1)[*:1] Cc1nc2SC[C@H](CC(=O)N3CCC[C@@H](C3)[*:1])n2c(=O)c1C
O=C1CCCN1c1ccc(C[NH2+]Cc2c(F)cccc2F)cc1 O=C1CCCN1[*:1] Fc1cccc(F)c1C[NH2+]Cc1ccc(cc1)[*:1]
COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Sc1nc(C)cc(C)n1 Cc1cc(C)nc(n1)[*:1] COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)S[*:1]
COCCCOC1CN(C(=O)c2ccc(F)c(C)c2)C1 COCCCO[*:1] Cc1cc(ccc1F)C(=O)N1CC(C1)[*:1]
COCCCOC1CN(C(=O)c2ccc(F)c(C)c2)C1 COCC[*:1] Cc1cc(ccc1F)C(=O)N1CC(C1)OC[*:1]
COCCCOC1CN(C(=O)c2ccc(F)c(C)c2)C1 COCCC[*:1] Cc1cc(ccc1F)C(=O)N1CC(C1)O[*:1]
COCCCOC1CN(C(=O)c2ccc(F)c(C)c2)C1 COC[*:1] Cc1cc(ccc1F)C(=O)N1CC(C1)OCC[*:1]
CCC[C@@H]1CNc2c(C)[nH+]n(C)c2N1 CCC[*:1] Cc1[nH+]n(C)c2N[C@@H](CNc12)[*:1]
COC(=O)c1c(-c2ccc(Cl)cc2)noc1Nc1cccc(OC)c1 COc1cccc(c1)[*:1] COC(=O)c1c(noc1N[*:1])-c1ccc(Cl)cc1
COC(=O)c1c(-c2ccc(Cl)cc2)noc1Nc1cccc(OC)c1 COC(=O)[*:1] COc1cccc(c1)Nc1onc(-c2ccc(Cl)cc2)c1[*:1]
COC(=O)c1c(-c2ccc(Cl)cc2)noc1Nc1cccc(OC)c1 Clc1ccc(cc1)[*:1] COC(=O)c1c(noc1Nc1cccc(c1)OC)[*:1]
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ncc(Cl)cc1Cl O=[N+]([O-])[*:1] O=C(Cn1cc(ccc1=O)[*:1])Nc1ncc(Cl)cc1Cl
CC[C@H](C)n1ccc(C[NH2+]C2C(C)(C)C2(C)C)n1 CC[C@H](C)[*:1] CC1(C)C([NH2+]Cc2ccn(n2)[*:1])C1(C)C
CC(C)(C)c1cc2ncc(Br)cn2n1 CC(C)(C)[*:1] Brc1cnc2cc(nn2c1)[*:1]
CC(C)OC(=O)N1CCC([NH2+][C@H](C)CC(F)(F)F)CC1 CC(C)[*:1] C[C@H](CC(F)(F)F)[NH2+]C1CCN(CC1)C(=O)O[*:1]
CC(C)OC(=O)N1CCC([NH2+][C@H](C)CC(F)(F)F)CC1 FC(F)(F)C[*:1] CC(C)OC(=O)N1CCC(CC1)[NH2+][C@H](C)[*:1]
CC(C)OC(=O)N1CCC([NH2+][C@H](C)CC(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)OC(=O)N1CCC(CC1)[NH2+][C@H](C)C[*:1]
CC[C@H](C)[C@@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 CC[C@H](C)[*:1] C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 N#Cc1ccc(cc1)[*:1] CC[C@H](C)[C@@H](C)NC(=O)c1ccc(CO[*:1])o1
CCC(CC)N1C(=O)C2(CCCCC2)NC(=O)C1(C)C CCC(CC)[*:1] CC1(C)C(=O)NC2(CCCCC2)C(=O)N1[*:1]
Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)s1 FC(F)(F)[*:1] Cc1nc(C)c(s1)C(=O)N1CCCC[C@@H]1c1cc2N[C@H](C)C[C@H](n2n1)[*:1]
Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)s1 Cc1nc(C)c(s1)[*:1] C[C@@H]1C[C@@H](n2nc(cc2N1)[C@H]1CCCCN1C(=O)[*:1])C(F)(F)F
Cc1ccccc1C[NH2+][C@@H](CCCO)c1ccccc1 OCCC[*:1] Cc1ccccc1C[NH2+][C@@H](c1ccccc1)[*:1]
Cc1ccccc1C[NH2+][C@@H](CCCO)c1ccccc1 OCC[*:1] Cc1ccccc1C[NH2+][C@@H](C[*:1])c1ccccc1
Cc1ccccc1C[NH2+][C@@H](CCCO)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1C[NH2+][C@@H](CCCO)[*:1]
O=C1[C@@H](Sc2nc3ccccc3o2)CCN1c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C1[C@H](CCN1[*:1])Sc1nc2ccccc2o1
C[C@@H](NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)c1ccccc1-n1cccn1 c1cnn(c1)[*:1] C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)c1ccccc1[*:1]
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)n1 Cc1ccnc(n1)[*:1] Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)n1 Cc1cc(Cl)ccc1[*:1] Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)CO[*:1]
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)n1 Cc1cc(Cl)ccc1O[*:1] Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)n1 Cc1cc(Cl)ccc1OC[*:1] Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)(C)[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 CC(C)(C)[*:1] O=C(C[NH2+][*:1])Nc1ccccc1-c1ccccc1
CC(C)(C)[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[NH2+]CC(=O)Nc1ccccc1[*:1]
C[C@@H](NC(=O)c1cc(-c2cccc(O)c2)on1)c1ccccc1 Oc1cccc(c1)[*:1] C[C@@H](NC(=O)c1cc(on1)[*:1])c1ccccc1
C[C@@H](NC(=O)c1cc(-c2cccc(O)c2)on1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cc(on1)-c1cccc(O)c1)[*:1]
COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)(=O)C3)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)(=O)C3)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1-n1nc2CS(=O)(=O)Cc2c1NC(=O)[*:1]
CCOC(=O)CCNc1nc(Cl)nc2ncccc12 CCOC(=O)C[*:1] Clc1nc(NC[*:1])c2cccnc2n1
CCOC(=O)CCNc1nc(Cl)nc2ncccc12 CCOC(=O)[*:1] Clc1nc(NCC[*:1])c2cccnc2n1
CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[*:1]
COc1ccc2nc(C)c(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cc2c1 c1cc(cs1)[*:1] COc1ccc2nc(C)c(cc2c1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CCOC(=O)NNC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)NNC(=O)Nc1ccc(F)cc1[*:1]
N#Cc1cc(NCc2cccc(S(N)(=O)=O)c2)nc2ccccc12 NS(=O)(=O)[*:1] N#Cc1cc(nc2ccccc12)NCc1cccc(c1)[*:1]
CCOc1c(Cl)cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)NC12CC3CC(CC(C3)C1)C2
Cc1oc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N1CCC(CC1)[NH+]1CCCC1
O=C([O-])c1ccc(-n2cccc2)c(F)c1 O=C([O-])[*:1] Fc1cc(ccc1-n1cccc1)[*:1]
O=C([O-])c1ccc(-n2cccc2)c(F)c1 c1ccn(c1)[*:1] O=C([O-])c1ccc(c(F)c1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)C[*:1]
CCC(C)(C)NC(=O)C[S@@](=O)Cc1cccc(Br)c1C CCC(C)(C)[*:1] Cc1c(Br)cccc1C[S@](=O)CC(=O)N[*:1]
O=C(NCC(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1)c1ccccc1 O=C(NC[*:1])c1ccccc1 O=C(NCc1ccc2OCOc2c1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(NCC(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1)c1ccccc1 c1cc2OCOc2cc1[*:1] O=C(NCC(=O)N1CCC[C@@H](C1)C(=O)NC[*:1])c1ccccc1
O=C(NCC(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)[C@H]1CCCN(C1)C(=O)CNC(=O)[*:1]
O=C(NCC(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1)c1ccccc1 c1cc2OCOc2cc1C[*:1] O=C(NCC(=O)N1CCC[C@@H](C1)C(=O)N[*:1])c1ccccc1
O=C(NCC(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(NCc1ccc2OCOc2c1)[C@H]1CCCN(C1)C(=O)C[*:1]
CCOC(=O)c1snc2c([O-])ncnc12 CCOC(=O)[*:1] [O-]c1ncnc2c(snc12)[*:1]
C[C@H](NC(=O)c1ccccc1)C(=O)NCC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)NCC1(CCC1)[*:1]
C[C@H](NC(=O)c1ccccc1)C(=O)NCC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCC1(CCC1)c1ccccc1
CC[C@@H](C)n1ncc(C(=O)NCCc2ccccc2)c1C1CC1 c1ccc(cc1)C[*:1] CC[C@@H](C)n1ncc(C(=O)NC[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NCCc2ccccc2)c1C1CC1 c1ccc(cc1)[*:1] CC[C@@H](C)n1ncc(C(=O)NCC[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NCCc2ccccc2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NCCc2ccccc2)c1[*:1]
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1ccccc1CN(C[*:1])C(=O)NC[C@H]1CCCO1
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCO1 COc1ccccc1[*:1] O=C(NC[C@H]1CCCO1)N(C[C@@H]1CCCO1)C[*:1]
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCO1 C1CO[C@@H](C1)C[*:1] COc1ccccc1CN(C(=O)NC[C@H]1CCCO1)[*:1]
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[*:1]
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)NC[*:1]
Cc1ccc([C@H]2[C@@H](C)CCCN2c2ccc3nnc(C)n3n2)cc1 Cc1ccc(cc1)[*:1] Cc1nnc2ccc(nn12)N1CCC[C@H](C)[C@@H]1[*:1]
COC(=O)Cn1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)nn1 COC(=O)C[*:1] C[C@H]([NH2+]Cc1cn(nn1)[*:1])c1cccc(Cl)c1Cl
COC(=O)Cn1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)nn1 COC(=O)[*:1] C[C@H]([NH2+]Cc1cn(C[*:1])nn1)c1cccc(Cl)c1Cl
C[C@@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccc(-c2ccncc2)cc1 C[C@H](C1CC1)[*:1] C[C@@H](NC(=O)N(C1CC1)[*:1])c1ccc(cc1)-c1ccncc1
C[C@@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccc(-c2ccncc2)cc1 C1CC1[*:1] C[C@@H](NC(=O)N([C@H](C)C1CC1)[*:1])c1ccc(cc1)-c1ccncc1
C[C@@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccc(-c2ccncc2)cc1 C1CC1[*:1] C[C@@H](NC(=O)N(C1CC1)[C@H](C)[*:1])c1ccc(cc1)-c1ccncc1
NN1[C@@H](SCC(=O)Nc2ccc(Br)cc2)NN[C@H]1[C@H]1C=C(c2ccc(F)cc2)N=N1 Fc1ccc(cc1)[*:1] NN1[C@H](NN[C@H]1[C@H]1C=C(N=N1)[*:1])SCC(=O)Nc1ccc(Br)cc1
NN1[C@@H](SCC(=O)Nc2ccc(Br)cc2)NN[C@H]1[C@H]1C=C(c2ccc(F)cc2)N=N1 Brc1ccc(cc1)[*:1] NN1[C@H](NN[C@H]1[C@H]1C=C(N=N1)c1ccc(F)cc1)SCC(=O)N[*:1]
NN1[C@@H](SCC(=O)Nc2ccc(Br)cc2)NN[C@H]1[C@H]1C=C(c2ccc(F)cc2)N=N1 O=C(Nc1ccc(Br)cc1)[*:1] NN1[C@H](NN[C@H]1[C@H]1C=C(N=N1)c1ccc(F)cc1)SC[*:1]
N#Cc1cccnc1NCCNC(=O)C[NH+]1CCc2sccc2C1 N#Cc1cccnc1[*:1] O=C(C[NH+]1CCc2sccc2C1)NCCN[*:1]
Cc1cccc(-c2ncc(C(=O)N3CCCC3)c(N(C)c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1ncc(C(=O)N2CCCC2)c(n1)N(C)[*:1]
Cc1cccc(-c2ncc(C(=O)N3CCCC3)c(N(C)c3ccccc3)n2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)-c1ncc(c(n1)N(C)c1ccccc1)[*:1]
Cc1cccc(-c2ncc(C(=O)N3CCCC3)c(N(C)c3ccccc3)n2)c1 CN(c1ccccc1)[*:1] Cc1cccc(c1)-c1ncc(C(=O)N2CCCC2)c(n1)[*:1]
Cc1cccc(-c2ncc(C(=O)N3CCCC3)c(N(C)c3ccccc3)n2)c1 Cc1cccc(c1)[*:1] CN(c1ccccc1)c1nc(ncc1C(=O)N1CCCC1)[*:1]
O=C1C2CCN(CC2)[C@@H]1Cc1cc([N+](=O)[O-])ccc1O O=[N+]([O-])[*:1] O=C1C2CCN(CC2)[C@@H]1Cc1cc(ccc1O)[*:1]
C[C@H](CO)NC(=O)NCCc1csc2ccccc12 C[C@H](CO)[*:1] O=C(NCCc1csc2ccccc12)N[*:1]
Cc1cc(C)cc(N2CC[C@@H](NC(=O)NCCc3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)N1CC[C@@H](NC(=O)NCC[*:1])C1=O
Cc1cc(C)cc(N2CC[C@@H](NC(=O)NCCc3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)N1CC[C@@H](NC(=O)NC[*:1])C1=O
Cc1cc(C)cc(N2CC[C@@H](NC(=O)NCCc3ccccc3)C2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCc1ccccc1)N[C@@H]1CCN(C1=O)[*:1]
Cc1cc(C)cc(N2CC[C@@H](NC(=O)NCCc3ccccc3)C2=O)c1 c1ccc(cc1)CC[*:1] Cc1cc(C)cc(c1)N1CC[C@@H](NC(=O)N[*:1])C1=O
C[C@H](C(=O)[O-])N1C(=O)C[C@](C)(c2ccccc2)C1=O O=C([O-])[*:1] C[C@H](N1C(=O)C[C@@](C)(C1=O)c1ccccc1)[*:1]
C[C@H](C(=O)[O-])N1C(=O)C[C@](C)(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@H](C(=O)[O-])N1C(=O)C[C@](C)(C1=O)[*:1]
COCc1c(-c2ccccc2)nn(C)c1Sc1ccc(Cl)cc1 COC[*:1] Cn1nc(-c2ccccc2)c(c1Sc1ccc(Cl)cc1)[*:1]
COCc1c(-c2ccccc2)nn(C)c1Sc1ccc(Cl)cc1 c1ccc(cc1)[*:1] COCc1c(nn(C)c1Sc1ccc(Cl)cc1)[*:1]
COCc1c(-c2ccccc2)nn(C)c1Sc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCc1c(nn(C)c1S[*:1])-c1ccccc1
COCCCN1C(=O)[C@@H]2[C@@H](CC3=c4ccccc4=[NH+]C3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O COCC[*:1] O=C1[C@@H]2[C@@H](CC3C[NH+]=c4ccccc4=3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1C[*:1]
COCCCN1C(=O)[C@@H]2[C@@H](CC3=c4ccccc4=[NH+]C3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O COC[*:1] O=C1[C@@H]2[C@@H](CC3C[NH+]=c4ccccc4=3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1CC[*:1]
COCCCN1C(=O)[C@@H]2[C@@H](CC3=c4ccccc4=[NH+]C3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O COCCC[*:1] O=C1[C@@H]2[C@@H](CC3C[NH+]=c4ccccc4=3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1[*:1]
N#CCN1CCN(Cc2csc(-c3ccsc3)n2)CC1 N#CC[*:1] c1cc(cs1)-c1nc(cs1)CN1CCN(CC1)[*:1]
N#CCN1CCN(Cc2csc(-c3ccsc3)n2)CC1 c1cc(cs1)[*:1] N#CCN1CCN(CC1)Cc1csc(n1)[*:1]
CC(C)CN(C)C(=O)CS[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] CN(C[*:1])C(=O)CS[C@H]1CCS(=O)(=O)C1
CC(C)CN(C)C(=O)CS[C@H]1CCS(=O)(=O)C1 CC(C)C[*:1] CN(C(=O)CS[C@H]1CCS(=O)(=O)C1)[*:1]
OCC1(C[NH2+]Cc2cc[nH]n2)CCCCC1 c1cc(n[nH]1)[*:1] OCC1(CCCCC1)C[NH2+]C[*:1]
FC(F)CN1CCCN(Cc2sccc2Br)CC1 Brc1ccsc1[*:1] FC(F)CN1CCCN(CC1)C[*:1]
FC(F)CN1CCCN(Cc2sccc2Br)CC1 FC(F)[*:1] Brc1ccsc1CN1CCCN(CC1)C[*:1]
FC(F)CN1CCCN(Cc2sccc2Br)CC1 FC(F)C[*:1] Brc1ccsc1CN1CCCN(CC1)[*:1]
Cn1cncc1-c1nnc([C@H]2CCN(Cc3cc4ccccc4o3)C2)o1 Cn1cncc1[*:1] c1ccc2oc(cc2c1)CN1CC[C@@H](C1)c1nnc(o1)[*:1]
Cc1csc([C@H](NC(=O)Nc2ccc(COC(C)(C)C)cc2)C2CC2)n1 CC(C)(C)OC[*:1] Cc1csc(n1)[C@H](NC(=O)Nc1ccc(cc1)[*:1])C1CC1
Cc1csc([C@H](NC(=O)Nc2ccc(COC(C)(C)C)cc2)C2CC2)n1 CC(C)(C)O[*:1] Cc1csc(n1)[C@H](NC(=O)Nc1ccc(cc1)C[*:1])C1CC1
Cc1csc([C@H](NC(=O)Nc2ccc(COC(C)(C)C)cc2)C2CC2)n1 CC(C)(C)[*:1] Cc1csc(n1)[C@H](NC(=O)Nc1ccc(cc1)CO[*:1])C1CC1
Cc1csc([C@H](NC(=O)Nc2ccc(COC(C)(C)C)cc2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](NC(=O)Nc1ccc(cc1)COC(C)(C)C)[*:1]
Cc1csc([C@H](NC(=O)Nc2ccc(COC(C)(C)C)cc2)C2CC2)n1 Cc1csc(n1)[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)N[C@H](C1CC1)[*:1]
COc1ccc(-c2nc3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n3n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(/C=c2\sc3nc(nn3c2=O)[*:1])cc1OC
CC(=O)N1CCC(C(=O)N2CCC3=C(C2)[C@@H](c2ccc(Cl)cc2)[NH+]=N3)CC1 Clc1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)C(=O)N1CCC2N=[NH+][C@H](C=2C1)[*:1]
CC(=O)N1CCC(C(=O)N2CCC3=C(C2)[C@@H](c2ccc(Cl)cc2)[NH+]=N3)CC1 CC(=O)N1CCC(CC1)[*:1] O=C(N1CCC2N=[NH+][C@@H](C=2C1)c1ccc(Cl)cc1)[*:1]
CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CC=CCC1 c1ccc(cc1)C[*:1] CC[C@@H](N(C)C(=O)N[C@H]1CC=CCC1)[*:1]
CC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CC=CCC1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])N(C)C(=O)N[C@H]1CC=CCC1
CC(=O)c1ccc(NC(=O)CN2C(=O)c3ccc(C)cc3C2=O)cc1C CC(=O)[*:1] Cc1ccc2C(=O)N(CC(=O)Nc3ccc(c(C)c3)[*:1])C(=O)c2c1
CC[C@@H](O)CNC(=O)c1cnn(-c2ncc(C)c(-c3ccc(F)cc3)n2)c1-c1cccs1 c1csc(c1)[*:1] CC[C@@H](O)CNC(=O)c1cnn(-c2ncc(C)c(n2)-c2ccc(F)cc2)c1[*:1]
CC[C@@H](O)CNC(=O)c1cnn(-c2ncc(C)c(-c3ccc(F)cc3)n2)c1-c1cccs1 Fc1ccc(cc1)[*:1] CC[C@@H](O)CNC(=O)c1cnn(-c2ncc(C)c(n2)[*:1])c1-c1cccs1
C[C@@H](C[NH+]1CCCCC1)NC(=O)Cn1ccc(C(F)(F)F)n1 FC(F)(F)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)Cn1ccc(n1)[*:1]
C[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1nccs1 c1csc(n1)[*:1] C[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)[*:1]
C[C@H]1N=NC=C1C(=O)N1CCO[C@H](CC2CCCCC2)C1 C1CCC(CC1)C[*:1] C[C@H]1N=NC=C1C(=O)N1CCO[C@H](C1)[*:1]
C[C@H]1N=NC=C1C(=O)N1CCO[C@H](CC2CCCCC2)C1 C1CCC(CC1)[*:1] C[C@H]1N=NC=C1C(=O)N1CCO[C@@H](C1)C[*:1]
C[NH+](C)C(C)(C)CNC(=O)c1scnc1C1CC1 C1CC1[*:1] C[NH+](C)C(C)(C)CNC(=O)c1scnc1[*:1]
CC[C@H](C)[C@@H](C)NC(=O)c1cc(OC)c(OC)c(OC)c1 CC[C@H](C)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[C@H](C)[*:1]
C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccc(Oc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccc(O[*:1])c(F)c1
C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccc(Oc2ccccc2)c(F)c1 Fc1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C(N)=O)[*:1])c1ccc(Oc2ccccc2)c(F)c1
C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccc(Oc2ccccc2)c(F)c1 c1ccc(cc1)O[*:1] C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccc(c(F)c1)[*:1]
C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccc(Oc2ccccc2)c(F)c1 NC(=O)[*:1] C[C@H]([NH2+][C@H](c1ccc(F)cc1)[*:1])c1ccc(Oc2ccccc2)c(F)c1
Cc1ccc(CC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)cc1O Cc1ccc(cc1O)[*:1] O=C(C[*:1])N[C@@H]1CC2(CCC2)Oc2ccccc21
C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccsc1 c1cc(cs1)[*:1] C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[*:1]
C[C@@H](Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3)c1ccccc1 C1CN(CCO1)[*:1] C[C@@H](Nc1ncnc2c1sc1nc(c3COC(C)(C)Cc3c12)[*:1])c1ccccc1
C[C@@H](Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3)c1ccccc1 C[C@@H](N[*:1])c1ccccc1 CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)[*:1])N1CCOCC1
C[C@@H](Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)N[*:1])N1CCOCC1
C[C@@H](Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1ncnc2c1sc1nc(c3COC(C)(C)Cc3c12)N1CCOCC1)[*:1]
CN(C)c1ncc(Br)cc1C(=O)NN1Cc2ccccc2C1 CN(C)[*:1] O=C(NN1Cc2ccccc2C1)c1cc(Br)cnc1[*:1]
CN(C)C(=O)COc1cccc(NC(=O)N(C)Cc2ccc(F)cc2F)c1 CN(C)C(=O)[*:1] CN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(c1)OC[*:1]
CN(C)C(=O)COc1cccc(NC(=O)N(C)Cc2ccc(F)cc2F)c1 Fc1ccc(C[*:1])c(F)c1 CN(C)C(=O)COc1cccc(c1)NC(=O)N(C)[*:1]
CN(C)C(=O)COc1cccc(NC(=O)N(C)Cc2ccc(F)cc2F)c1 CN(C)C(=O)C[*:1] CN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(c1)O[*:1]
CN(C)C(=O)COc1cccc(NC(=O)N(C)Cc2ccc(F)cc2F)c1 CN(C)C(=O)CO[*:1] CN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(c1)[*:1]
CN(C)C(=O)COc1cccc(NC(=O)N(C)Cc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] CN(C)C(=O)COc1cccc(c1)NC(=O)N(C)C[*:1]
O=C(NC[C@@H](CCO)c1ccccc1)[C@@H]1C[C@@H]1c1cc(F)ccc1F c1ccc(cc1)[*:1] O=C(NC[C@@H](CCO)[*:1])[C@@H]1C[C@@H]1c1cc(F)ccc1F
O=C(NC[C@@H](CCO)c1ccccc1)[C@@H]1C[C@@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(NC[C@@H](CCO)c1ccccc1)[C@@H]1C[C@H]1[*:1]
O=C(NC[C@@H](CCO)c1ccccc1)[C@@H]1C[C@@H]1c1cc(F)ccc1F OCC[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])[C@@H]1C[C@@H]1c1cc(F)ccc1F
CCc1ccsc1C(=O)N[C@H](Cc1ccccc1)C(N)=O c1ccc(cc1)[*:1] CCc1ccsc1C(=O)N[C@H](C[*:1])C(N)=O
CCc1ccsc1C(=O)N[C@H](Cc1ccccc1)C(N)=O c1ccc(cc1)C[*:1] CCc1ccsc1C(=O)N[C@H](C(N)=O)[*:1]
CCc1ccsc1C(=O)N[C@H](Cc1ccccc1)C(N)=O CCc1ccsc1[*:1] NC(=O)[C@@H](Cc1ccccc1)NC(=O)[*:1]
CCc1ccsc1C(=O)N[C@H](Cc1ccccc1)C(N)=O NC(=O)[*:1] CCc1ccsc1C(=O)N[C@H](Cc1ccccc1)[*:1]
C[C@H](c1cccs1)N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 c1csc(c1)[*:1] C[C@H](N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[*:1]
N#CCNC(=O)CNc1cc(Cl)cc(Cl)c1 N#CC[*:1] O=C(CNc1cc(Cl)cc(Cl)c1)N[*:1]
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C2CC2)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C2CC2)n1[*:1]
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C2CC2)n1Cc1ccco1 c1coc(c1)[*:1] Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C2CC2)n1C[*:1]
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C2CC2)n1Cc1ccco1 C1CC1[*:1] Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(n1Cc1ccco1)[*:1]
Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)N1CC[C@H]2CCCC[C@H]2C1
Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1[*:1])C(=O)N1CC[C@H]2CCCC[C@H]2C1
O=C(NCC[C@H](O)c1cccs1)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCC[C@H](O)c1cccs1)C1(CC1)[*:1]
O=C(NCC[C@H](O)c1cccs1)C1(c2ccc(F)cc2)CC1 O[C@H](c1cccs1)[*:1] O=C(NCC[*:1])C1(CC1)c1ccc(F)cc1
O=C(NCC[C@H](O)c1cccs1)C1(c2ccc(F)cc2)CC1 c1csc(c1)[*:1] O=C(NCC[C@H](O)[*:1])C1(CC1)c1ccc(F)cc1
Cc1cccc(NC(=O)N(C)CC(=O)Nc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)N(C)CC(=O)N[*:1])c1C
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2ccccc2c1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2ccccc2c1
C[C@@H]1CCCN(S(=O)(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 CS(=O)(=O)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)NCc1ccc(cc1)[*:1]
C[NH+](C)C(C)(C)CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] C[NH+](C)C(C)(C)CNC(=O)C1CCN(CC1)C(=O)[*:1]
CCn1nc(NC(C)=O)c2cc3cc(C)ccc3nc21 CC(=O)N[*:1] CCn1nc(c2cc3cc(C)ccc3nc21)[*:1]
CC1(C)CN(C(=O)[C@@H](c2ccccc2)N2CCCCC2=O)CCO1 O=C1CCCCN1[*:1] CC1(C)CN(CCO1)C(=O)[C@@H](c1ccccc1)[*:1]
CC1(C)CN(C(=O)[C@@H](c2ccccc2)N2CCCCC2=O)CCO1 c1ccc(cc1)[*:1] CC1(C)CN(CCO1)C(=O)[C@@H](N1CCCCC1=O)[*:1]
COCCn1cnn(C[NH+]2CCC(Oc3c(C)cccc3C)CC2)c1=S COC[*:1] Cc1cccc(C)c1OC1CC[NH+](CC1)Cn1ncn(C[*:1])c1=S
COCCn1cnn(C[NH+]2CCC(Oc3c(C)cccc3C)CC2)c1=S Cc1cccc(C)c1[*:1] COCCn1cnn(C[NH+]2CCC(CC2)O[*:1])c1=S
COCCn1cnn(C[NH+]2CCC(Oc3c(C)cccc3C)CC2)c1=S COCC[*:1] Cc1cccc(C)c1OC1CC[NH+](CC1)Cn1ncn(c1=S)[*:1]
CCc1c(N)nnn1CCCS(=O)(=O)CC CCS(=O)(=O)[*:1] CCc1c(N)nnn1CCC[*:1]
C[C@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] C[C@H](Sc1nc(cc(c1C#N)C(F)(F)F)[*:1])C(=O)N(C)[C@H]1CCS(=O)(=O)C1
C[C@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] C[C@H](Sc1nc(cc(c1C#N)[*:1])-c1cccs1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1
CC1(C(=O)[C@@H](C#N)c2cccc(C(F)(F)F)c2)CCCC1 CC1(CCCC1)[*:1] N#C[C@H](C(=O)[*:1])c1cccc(c1)C(F)(F)F
CC1(C(=O)[C@@H](C#N)c2cccc(C(F)(F)F)c2)CCCC1 FC(F)(F)[*:1] CC1(CCCC1)C(=O)[C@@H](C#N)c1cccc(c1)[*:1]
O=C(NCc1ncc[nH]1)Nc1cnn(CC(F)(F)F)c1 c1c[nH]c(C[*:1])n1 O=C(Nc1cnn(c1)CC(F)(F)F)N[*:1]
O=C(NCc1ncc[nH]1)Nc1cnn(CC(F)(F)F)c1 FC(F)(F)C[*:1] O=C(NCc1ncc[nH]1)Nc1cnn(c1)[*:1]
O=C(NCc1ncc[nH]1)Nc1cnn(CC(F)(F)F)c1 c1c[nH]c(n1)[*:1] O=C(NC[*:1])Nc1cnn(c1)CC(F)(F)F
O=C(NCc1ncc[nH]1)Nc1cnn(CC(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCc1ncc[nH]1)Nc1cnn(c1)C[*:1]
CNS(=O)(=O)CCOC(C)C CC(C)[*:1] CNS(=O)(=O)CCO[*:1]
O=C(COC[C@H]1CCOC1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(COC[C@H]1CCOC1)N1CCC(CC1)O[*:1]
O=C(COC[C@H]1CCOC1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(COC[C@H]1CCOC1)N1CCC(CC1)OC[*:1]
CCN1C(=O)Cc2cc(NC(=O)CN3C(=O)CCC3=O)ccc21 O=C1CCC(=O)N1[*:1] CCN1C(=O)Cc2cc(ccc21)NC(=O)C[*:1]
CCCCN(CCC(=O)N1CCCCC1)C(=O)c1ccoc1 CCCC[*:1] O=C(CCN(C(=O)c1ccoc1)[*:1])N1CCCCC1
CCCCN(CCC(=O)N1CCCCC1)C(=O)c1ccoc1 c1cc(co1)[*:1] CCCCN(CCC(=O)N1CCCCC1)C(=O)[*:1]
CCCCN(CCC(=O)N1CCCCC1)C(=O)c1ccoc1 CCC[*:1] O=C(CCN(C[*:1])C(=O)c1ccoc1)N1CCCCC1
CCc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)o1 O=C([O-])[*:1] CCc1ccc(o1)C(=O)N[C@H]([C@H](C)CC)[*:1]
CCc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)o1 CC[C@@H](C)[*:1] CCc1ccc(o1)C(=O)N[C@H](C(=O)[O-])[*:1]
CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccccc1 CC(C)[*:1] C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[*:1]
CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccccc1 Cn1cc(cn1)[*:1] CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)[*:1])c1ccccc1
O=C(NCCc1ccccc1F)c1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCCc1ccccc1F)c1coc(n1)[*:1]
O=C(NCCc1ccccc1F)c1coc(-c2ccccc2)n1 Fc1ccccc1[*:1] O=C(NCC[*:1])c1coc(n1)-c1ccccc1
CC(C)C[NH+]1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 CC(C)[*:1] O[C@H](COc1ccc(F)cc1)CN1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)C[NH+]1CCN(CC1)C[C@H](O)CO[*:1]
CC(C)C[NH+]1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 CC(C)C[*:1] O[C@H](COc1ccc(F)cc1)CN1CC[NH+](CC1)[*:1]
[NH3+][C@H](CCc1c[nH]nc1C(F)(F)F)C(=O)[O-] FC(F)(F)[*:1] [NH3+][C@H](CCc1c[nH]nc1[*:1])C(=O)[O-]
[NH3+][C@H](CCc1c[nH]nc1C(F)(F)F)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H](CCc1c[nH]nc1C(F)(F)F)[*:1]
O=C(C[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)C[C@@H](O)[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
O=C(C[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 O[C@H](C[*:1])c1ccccc1 O=C(C[NH+]1CCN(CC1)[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
O=C(C[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 O[C@@H](c1ccccc1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
O=C(C[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(C[NH+]1CCN(CC1)C[C@@H](O)c1ccccc1)Nc1ccc(Cl)c(c1)[*:1]
CCc1onc(C)c1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 C1CCN(C1)[*:1] CCc1onc(C)c1NC(=O)NCc1cc[nH+]c(c1)[*:1]
CCc1onc(C)c1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 CCc1onc(C)c1[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)N[*:1]
CCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(=O)Nc1ccc(cc1)[*:1] CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SCC(=O)[*:1]
CCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(=O)N[*:1] CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SCC(=O)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)NCc2ccccc2C)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])NC(=O)NCc1ccccc1C
COc1ccc(NC(=O)NCc2ccccc2C)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])NC(=O)NCc1ccccc1C
COc1ccc(NC(=O)NCc2ccccc2C)cc1OC(F)F Cc1ccccc1[*:1] COc1ccc(cc1OC(F)F)NC(=O)NC[*:1]
COc1ccc(NC(=O)NCc2ccccc2C)cc1OC(F)F Cc1ccccc1C[*:1] COc1ccc(cc1OC(F)F)NC(=O)N[*:1]
COc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1N1CCCCC1=O O=C1CCCCN1[*:1] COc1ccc(cc1[*:1])NC(=O)NCC[NH+]1CCCCC1
COCC1CCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 COC[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CCC(CC1)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)C1 CCO[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)C[*:1])C1CC1
CCOC[C@H]1CCCN(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)C1 CCOC[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)[*:1])C1CC1
CCOC[C@H]1CCCN(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)C1 C1CC1[*:1] CCOC[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)CN(C(C)=O)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)C1 CC(=O)N(C[*:1])C1CC1 CCOC[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)C1 CC(=O)N(C1CC1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)C[*:1]
COCC(=O)Nc1cccc(NCc2ccncc2)c1 COC[*:1] O=C(Nc1cccc(c1)NCc1ccncc1)[*:1]
COCC(=O)Nc1cccc(NCc2ccncc2)c1 COCC(=O)N[*:1] c1cc(cc(c1)[*:1])NCc1ccncc1
COCC(=O)Nc1cccc(NCc2ccncc2)c1 c1cc(ccn1)[*:1] COCC(=O)Nc1cccc(c1)NC[*:1]
C[C@@H](C(=O)NCC1CCCCC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 C1CCC(CC1)C[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)[C@H](C)C(=O)N1CCCC1
C[C@@H](C(=O)NCC1CCCCC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 C[C@H](C(=O)N1CCCC1)[*:1] C[C@@H](C(=O)NCC1CCCCC1)N1CCN(CC1)[*:1]
C[C@@H](C(=O)NCC1CCCCC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 C1CCC(CC1)[*:1] C[C@@H](C(=O)NC[*:1])N1CCN(CC1)[C@H](C)C(=O)N1CCCC1
C[C@@H](C(=O)NCC1CCCCC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] C[C@@H](C(=O)NCC1CCCCC1)N1CCN(CC1)[C@H](C)[*:1]
CCCCc1nnc2sc(Cc3ccccc3)nn12 c1ccc(cc1)[*:1] CCCCc1nnc2sc(C[*:1])nn12
CCCCc1nnc2sc(Cc3ccccc3)nn12 CCC[*:1] c1ccc(cc1)Cc1nn2c(C[*:1])nnc2s1
CCCCc1nnc2sc(Cc3ccccc3)nn12 CCCC[*:1] c1ccc(cc1)Cc1nn2c(nnc2s1)[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)Oc2ccc3nccnc3c2)c1 CC(=O)[*:1] C[C@H](Oc1cccc(c1)[*:1])C(=O)Oc1ccc2nccnc2c1
C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@H](OC(=O)c1c2CC/C(=C\c3ccc(Cl)cc3)c2nc2ccccc12)[*:1]
C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2)C(=O)NC(N)=O Clc1ccc(cc1)[*:1] C[C@H](OC(=O)c1c2CCC(=C[*:1])c2nc2ccccc12)C(=O)NC(N)=O
CSc1ccc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)nn1 FC(F)(F)C[*:1] CSc1ccc(nn1)N1CCC[C@@H](C1)C(=O)N[*:1]
CSc1ccc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)nn1 FC(F)(F)[*:1] CSc1ccc(nn1)N1CCC[C@@H](C1)C(=O)NC[*:1]
C[C@@H](C(=O)Nc1ccc(F)cc1F)n1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] C[C@@H](C(=O)Nc1ccc(F)cc1F)n1cc(cn1)[*:1]
CNC(=O)c1ccc(C[S@](=O)CCc2scnc2C)cc1 Cc1ncsc1[*:1] CNC(=O)c1ccc(cc1)C[S@](=O)CC[*:1]
CNC(=O)c1ccc(C[S@](=O)CCc2scnc2C)cc1 CNC(=O)[*:1] Cc1ncsc1CC[S@@](=O)Cc1ccc(cc1)[*:1]
CNC(=O)c1ccc(C[S@](=O)CCc2scnc2C)cc1 Cc1ncsc1C[*:1] CNC(=O)c1ccc(cc1)C[S@](=O)C[*:1]
Cc1ccsc1C(=O)NNC(=O)c1cnn2cc(Br)cnc12 Cc1ccsc1[*:1] O=C(NNC(=O)[*:1])c1cnn2cc(Br)cnc12
c1ccc(-c2nnc3n2CCN(C2c4ccccc4-c4ccccc42)C3)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)-c1ccccc1C2N1CCn2c(C1)nnc2[*:1]
CC(C)C[C@]1(Cc2ccc(Br)cc2)CCC[NH2+]1 CC(C)[*:1] Brc1ccc(cc1)C[C@]1(CCC[NH2+]1)C[*:1]
CC(C)C[C@]1(Cc2ccc(Br)cc2)CCC[NH2+]1 CC(C)C[*:1] Brc1ccc(cc1)C[C@@]1(CCC[NH2+]1)[*:1]
CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3cccc(SC(C)C)c3)o2)c1 CC(C)[*:1] CCS(=O)(=O)c1cccc(c1)C(=O)Nc1nnc(o1)-c1cccc(c1)S[*:1]
CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3cccc(SC(C)C)c3)o2)c1 CCS(=O)(=O)[*:1] CC(C)Sc1cccc(c1)-c1nnc(NC(=O)c2cccc(c2)[*:1])o1
CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3cccc(SC(C)C)c3)o2)c1 CC(C)S[*:1] CCS(=O)(=O)c1cccc(c1)C(=O)Nc1nnc(o1)-c1cccc(c1)[*:1]
Cc1ccc(NCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1CN[*:1]
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(Cl)c2)n1 O=[N+]([O-])[*:1] CCn1cc(c(n1)C(=O)Nc1ccc(OC)c(Cl)c1)[*:1]
COC[C@@H](NC(=O)N1CCC2(C1)OCCO2)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])N1CCC2(C1)OCCO2
COC[C@@H](NC(=O)N1CCC2(C1)OCCO2)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)N1CCC2(C1)OCCO2)[*:1]
Cc1cnc2c(S(=O)(=O)Oc3ccccc3F)cccc2c1 Fc1ccccc1[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)O[*:1]
NC(=O)CONC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 NC(=O)CONC(=O)[*:1] Fc1ccc(S[C@H](c2ccccc2)[*:1])c(F)c1
NC(=O)CONC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 NC(=O)[*:1] O=C(NOC[*:1])[C@H](Sc1ccc(F)cc1F)c1ccccc1
NC(=O)CONC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 Fc1ccc(c(F)c1)[*:1] NC(=O)CONC(=O)[C@H](S[*:1])c1ccccc1
NC(=O)CONC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)CONC(=O)[C@H](Sc1ccc(F)cc1F)[*:1]
NC(=O)CONC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1 NC(=O)C[*:1] O=C(NO[*:1])[C@H](Sc1ccc(F)cc1F)c1ccccc1
CC[NH+]1CCC(CCNC(=O)NCc2ncn(C)n2)CC1 Cn1cnc(n1)[*:1] CC[NH+]1CCC(CCNC(=O)NC[*:1])CC1
CC[NH+]1CCC(CCNC(=O)NCc2ncn(C)n2)CC1 Cn1cnc(C[*:1])n1 CC[NH+]1CCC(CCNC(=O)N[*:1])CC1
C[C@@H](Sc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Sc1nnc(-c2ccc3OCCCOc3c2)n1C1CC1)[*:1]
C[C@@H](Sc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1)C(=O)[O-] C1CC1[*:1] C[C@@H](Sc1nnc(-c2ccc3OCCCOc3c2)n1[*:1])C(=O)[O-]
O=C([O-])[C@H]1CC2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CN1C(=O)C1CC1 C1CC1[*:1] O=C([O-])[C@H]1CC2(CCN(CC2)C(=O)c2cc3ccccc3[nH]2)CN1C(=O)[*:1]
O=C([O-])[C@H]1CC2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CN1C(=O)C1CC1 O=C([O-])[*:1] O=C(c1cc2ccccc2[nH]1)N1CCC2(CC1)C[C@@H](N(C2)C(=O)C1CC1)[*:1]
O=C([O-])[C@H]1CC2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CN1C(=O)C1CC1 c1ccc2[nH]c(cc2c1)[*:1] O=C([O-])[C@H]1CC2(CCN(CC2)C(=O)[*:1])CN1C(=O)C1CC1
CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 Brc1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1)c1ccc(Br)cc1
Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)no1 Cc1cc(no1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)no1 O=[N+]([O-])[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)c1ccc(C)c(c1)[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)no1 Cc1cc(no1)NC(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N1CCC(CC1)[*:1]
CCN(CC#N)C(=O)C[C@H](C)c1cccc(OC)c1 N#CC[*:1] CCN(C(=O)C[C@H](C)c1cccc(c1)OC)[*:1]
COC(=O)[C@@H](C)[C@@H](C)N(C)CC[NH+](C)C COC(=O)[*:1] C[C@@H]([C@@H](C)N(C)CC[NH+](C)C)[*:1]
Cn1c(=O)c2c(SCC(=O)Nc3ccc(Cl)cc3)nc(-c3ccco3)nc2n(C)c1=O c1coc(c1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)[*:1])SCC(=O)Nc1ccc(Cl)cc1
Cn1c(=O)c2c(SCC(=O)Nc3ccc(Cl)cc3)nc(-c3ccco3)nc2n(C)c1=O Clc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccco1)SCC(=O)N[*:1]
Cn1c(=O)c2c(SCC(=O)Nc3ccc(Cl)cc3)nc(-c3ccco3)nc2n(C)c1=O O=C(Nc1ccc(Cl)cc1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccco1)SC[*:1]
N#CCOc1cccc(CC(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])Nc1cnc(nc1)-c1cccc(O)c1
N#CCOc1cccc(CC(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])Nc1cnc(nc1)-c1cccc(O)c1
N#CCOc1cccc(CC(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1 Oc1cccc(c1)[*:1] N#CCOc1cccc(c1)CC(=O)Nc1cnc(nc1)[*:1]
Cc1cc(Cl)ccc1NC(=O)CCc1nncn1-c1ccccc1 Cc1cc(Cl)ccc1[*:1] O=C(CCc1nncn1-c1ccccc1)N[*:1]
Cc1cc(Cl)ccc1NC(=O)CCc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1NC(=O)CCc1nncn1[*:1]
CC(C)N(C(=O)c1cnc(Cl)c(Cl)c1)C(C)C CC(C)[*:1] CC(C)N(C(=O)c1cnc(Cl)c(Cl)c1)[*:1]
CC(=O)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)C CC(C)(C)[*:1] CC(=O)c1ccccc1OC[C@@H](O)C[NH2+][*:1]
CC(=O)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)C CC(=O)[*:1] CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1[*:1]
O=C([O-])CC1CCN(C(=O)[C@@H]2Cc3[nH]c[nH+]c3CN2)CC1 O=C([O-])C[*:1] O=C([C@@H]1Cc2[nH]c[nH+]c2CN1)N1CCC(CC1)[*:1]
O=C([O-])CC1CCN(C(=O)[C@@H]2Cc3[nH]c[nH+]c3CN2)CC1 O=C([O-])[*:1] O=C([C@@H]1Cc2[nH]c[nH+]c2CN1)N1CCC(CC1)C[*:1]
CCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc1-c1cccs1 NC(=O)NC(=O)[*:1] CCn1c(nnc1-c1cccs1)S[C@@H](C(C)C)[*:1]
CCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])S[C@@H](C(=O)NC(N)=O)C(C)C
CCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc1-c1cccs1 CC(C)[*:1] CCn1c(nnc1-c1cccs1)S[C@@H](C(=O)NC(N)=O)[*:1]
c1cc(-c2ncc(CNCC[NH+]3CCCCCC3)s2)cs1 c1cc(cs1)[*:1] c1nc(sc1CNCC[NH+]1CCCCCC1)[*:1]
C[C@@H]1c2ccccc2-c2ccc(C(=O)[O-])cc21 O=C([O-])[*:1] C[C@@H]1c2ccccc2-c2ccc(cc21)[*:1]
COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1ccc(cc1)[*:1]
Cc1nc(C)c(CNC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)s1 CC(C)(C)[*:1] Cc1nc(C)c(CNC(=O)N[C@H](C)c2nc(no2)[*:1])s1
Cc1nc(C)c(CNC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)s1 Cc1nc(C)c(s1)[*:1] C[C@@H](NC(=O)NC[*:1])c1nc(no1)C(C)(C)C
CN(C)C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)C[*:1] CN(C)C(=O)[C@@H]1CCCN1C(=O)O[*:1]
CN(C)C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)[*:1] CN(C)C(=O)[C@@H]1CCCN1C(=O)OC[*:1]
CN(C)C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F CN(C)C(=O)[*:1] O=C(OCC(F)(F)F)N1CCC[C@H]1[*:1]
Nc1oc(-c2ccccc2)cc1C(=O)[O-] O=C([O-])[*:1] Nc1oc(cc1[*:1])-c1ccccc1
CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CS(=O)(=O)N[*:1] CC(C)C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[*:1]
CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CC(C)C[*:1] C[C@@H]1[C@H](CCN1C(=O)[C@H](NS(C)(=O)=O)[*:1])C(=O)[O-]
CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([C@H]1C)[*:1]
CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CC(C)[*:1] C[C@@H]1[C@H](CCN1C(=O)[C@@H](C[*:1])NS(C)(=O)=O)C(=O)[O-]
Cn1cc(C[NH2+]CCCN2CC[NH+](C)CC2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C[NH2+]CCCN2CC[NH+](C)CC2)c(n1)[*:1]
COCC[C@@H](C)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl COCC[C@@H](C)[*:1] O[C@H](C[NH2+][*:1])c1c(Cl)cccc1Cl
COCC[C@@H](C)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl COCC[*:1] C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)[*:1]
COCC[C@@H](C)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl COC[*:1] C[C@H](C[*:1])[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl
CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccnc1C Cc1ncccc1[*:1] CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[*:1]
CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccnc1C CCS[*:1] Cc1ncccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1[*:1]
Cc1ccc([C@@H](OC[C@@H]2CO2)c2ccccc2)cc1 C1O[C@@H]1[*:1] Cc1ccc(cc1)[C@@H](OC[*:1])c1ccccc1
Cc1ccc([C@@H](OC[C@@H]2CO2)c2ccccc2)cc1 C1O[C@@H]1CO[*:1] Cc1ccc(cc1)[C@@H](c1ccccc1)[*:1]
Cc1ccc([C@@H](OC[C@@H]2CO2)c2ccccc2)cc1 C1O[C@@H]1C[*:1] Cc1ccc(cc1)[C@@H](O[*:1])c1ccccc1
Cc1ccc([C@@H](OC[C@@H]2CO2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](OC[C@@H]1CO1)[*:1]
CC(C)COC1CCN(C(=O)/C=C/c2cccc3cccnc23)CC1 CC(C)CO[*:1] O=C(/C=C/c1cccc2cccnc12)N1CCC(CC1)[*:1]
CC(C)COC1CCN(C(=O)/C=C/c2cccc3cccnc23)CC1 CC(C)[*:1] O=C(/C=C/c1cccc2cccnc12)N1CCC(CC1)OC[*:1]
CC(C)COC1CCN(C(=O)/C=C/c2cccc3cccnc23)CC1 CC(C)C[*:1] O=C(/C=C/c1cccc2cccnc12)N1CCC(CC1)O[*:1]
CCc1nn(C)cc1C(=O)NCC1(c2ccccc2Cl)CCC1 Clc1ccccc1[*:1] CCc1nn(C)cc1C(=O)NCC1(CCC1)[*:1]
CC1(C)C[C@@]2(C)OC(=O)[C@@H](c3ccccc3)N2C(=S)N1 c1ccc(cc1)[*:1] CC1(C)C[C@@]2(C)OC(=O)[C@@H](N2C(=S)N1)[*:1]
O=C(N[C@@H](C1CCCC1)[C@H]1CC=CS1)C1=NN=C(c2ccco2)C1 c1coc(c1)[*:1] O=C(N[C@@H](C1CCCC1)[C@H]1CC=CS1)C1CC(=NN=1)[*:1]
O=C(N[C@@H](C1CCCC1)[C@H]1CC=CS1)C1=NN=C(c2ccco2)C1 C1CCC(C1)[*:1] O=C(N[C@@H]([C@H]1CC=CS1)[*:1])C1CC(=NN=1)c1ccco1
Fc1ccc(-c2nnc(CN3CCc4ccc(F)cc43)o2)cc1 Fc1ccc(cc1)[*:1] Fc1ccc2CCN(Cc3nnc(o3)[*:1])c2c1
C/C(=C\C(=O)C(F)(F)F)NCc1ccc(F)cc1 O=C(C(F)(F)F)[*:1] CC(=C[*:1])NCc1ccc(F)cc1
C/C(=C\C(=O)C(F)(F)F)NCc1ccc(F)cc1 FC(F)(F)[*:1] C/C(=C\C(=O)[*:1])NCc1ccc(F)cc1
Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)N1CCCC1)O2 O=C(N1CCCC1)[*:1] Cc1ccc2O[C@@H](CCN(c2c1)S(C)(=O)=O)[*:1]
CC[C@H](C)NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1N)C(C)C CC(C)[*:1] CC[C@H](C)NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1N)[*:1]
CC[C@H](C)NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1N)C(C)C CC[C@H](C)NC(=O)[*:1] CC(C)[C@H](Sc1nnc(-c2ccco2)n1N)[*:1]
CC[C@H](C)NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1N)C(C)C c1coc(c1)[*:1] CC[C@H](C)NC(=O)[C@@H](Sc1nnc(n1N)[*:1])C(C)C
CC[C@H](C)NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1N)C(C)C CC[C@H](C)[*:1] CC(C)[C@H](Sc1nnc(-c2ccco2)n1N)C(=O)N[*:1]
CCCn1ccc2cc(NC(=O)C(=O)N[C@@H](C)C(C)C)ccc21 CCC[*:1] CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc2c(ccn2[*:1])c1
CCCn1ccc2cc(NC(=O)C(=O)N[C@@H](C)C(C)C)ccc21 CC(C)[C@H](C)[*:1] CCCn1ccc2cc(ccc21)NC(=O)C(=O)N[*:1]
CCCn1ccc2cc(NC(=O)C(=O)N[C@@H](C)C(C)C)ccc21 CC(C)[*:1] CCCn1ccc2cc(ccc21)NC(=O)C(=O)N[C@@H](C)[*:1]
Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCCCN3CCCC3=O)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(CN1C(=O)CN(C(=O)N[*:1])c2ccccc21)NCCCN1CCCC1=O
Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCCCN3CCCC3=O)c3ccccc32)cc1 O=C1CCCN1CCC[*:1] Cc1ccc(cc1)NC(=O)N1CC(=O)N(CC(=O)N[*:1])c2ccccc21
Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCCCN3CCCC3=O)c3ccccc32)cc1 O=C1CCCN1C[*:1] Cc1ccc(cc1)NC(=O)N1CC(=O)N(CC(=O)NCC[*:1])c2ccccc21
Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCCCN3CCCC3=O)c3ccccc32)cc1 O=C1CCCN1CC[*:1] Cc1ccc(cc1)NC(=O)N1CC(=O)N(CC(=O)NC[*:1])c2ccccc21
Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCCCN3CCCC3=O)c3ccccc32)cc1 O=C1CCCN1[*:1] Cc1ccc(cc1)NC(=O)N1CC(=O)N(CC(=O)NCCC[*:1])c2ccccc21
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)N[*:1]
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)NC[*:1]
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)NCc1ccccc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1C)[*:1])C(=O)NCc1ccccc1
COC(=O)c1ncn2c1C(=O)N(Cc1cccc(C)c1)[C@](C)(C(=O)NC1CCCCCC1)C2 Cc1cccc(c1)[*:1] COC(=O)c1ncn2C[C@@](C)(C(=O)NC3CCCCCC3)N(C[*:1])C(=O)c12
COC(=O)c1ncn2c1C(=O)N(Cc1cccc(C)c1)[C@](C)(C(=O)NC1CCCCCC1)C2 O=C(NC1CCCCCC1)[*:1] COC(=O)c1ncn2C[C@@](C)(N(Cc3cccc(C)c3)C(=O)c12)[*:1]
COC(=O)c1ncn2c1C(=O)N(Cc1cccc(C)c1)[C@](C)(C(=O)NC1CCCCCC1)C2 C1CCCC(CC1)[*:1] COC(=O)c1ncn2C[C@@](C)(C(=O)N[*:1])N(Cc3cccc(C)c3)C(=O)c12
COC(=O)c1ncn2c1C(=O)N(Cc1cccc(C)c1)[C@](C)(C(=O)NC1CCCCCC1)C2 Cc1cccc(c1)C[*:1] COC(=O)c1ncn2C[C@@](C)(C(=O)NC3CCCCCC3)N(C(=O)c12)[*:1]
COC(=O)c1ncn2c1C(=O)N(Cc1cccc(C)c1)[C@](C)(C(=O)NC1CCCCCC1)C2 COC(=O)[*:1] Cc1cccc(c1)CN1C(=O)c2c(ncn2C[C@@]1(C)C(=O)NC1CCCCCC1)[*:1]
Cn1ncc2c(N3CCN(c4ccc5ncccc5c4[N+](=O)[O-])CC3)ncnc21 O=[N+]([O-])[*:1] Cn1ncc2c(ncnc21)N1CCN(CC1)c1ccc2ncccc2c1[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 CC(C)(C)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)[C@@H]1CCN(C1)C(=O)O[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 C[C@@H](C(=O)N1CCCC1)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)N1CCN(CC1)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 O=C(N1CCCC1)[*:1] C[C@@H](N1CCN(CC1)[C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1ccc(I)o1 Cc1ccccc1O[*:1] O=C(C[*:1])NCC(=O)N/N=C/c1ccc(I)o1
Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1ccc(I)o1 Cc1ccccc1[*:1] O=C(CO[*:1])NCC(=O)N/N=C/c1ccc(I)o1
Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1ccc(I)o1 Ic1ccc(o1)[*:1] Cc1ccccc1OCC(=O)NCC(=O)NN=C[*:1]
CS[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1cc(C)[nH]n1 Cc1cc(n[nH]1)[*:1] CS[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[*:1]
N#CCCN(CCC#N)C(=O)c1ccc(Cl)o1 N#CCC[*:1] N#CCCN(C(=O)c1ccc(Cl)o1)[*:1]
N#CCCN(CCC#N)C(=O)c1ccc(Cl)o1 N#CC[*:1] N#CCCN(C[*:1])C(=O)c1ccc(Cl)o1
Cc1cccc(-c2nc3sc(N4CCN(C(=O)C5CCC5)CC4)nn3c2NC(C)(C)C)c1 Cc1cccc(c1)[*:1] CC(C)(C)Nc1c(nc2sc(nn12)N1CCN(CC1)C(=O)C1CCC1)[*:1]
Cc1cccc(-c2nc3sc(N4CCN(C(=O)C5CCC5)CC4)nn3c2NC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)-c1nc2sc(nn2c1N[*:1])N1CCN(CC1)C(=O)C1CCC1
Cc1cccc(-c2nc3sc(N4CCN(C(=O)C5CCC5)CC4)nn3c2NC(C)(C)C)c1 C1CC(C1)[*:1] Cc1cccc(c1)-c1nc2sc(nn2c1NC(C)(C)C)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(-c2nc3sc(N4CCN(C(=O)C5CCC5)CC4)nn3c2NC(C)(C)C)c1 CC(C)(C)N[*:1] Cc1cccc(c1)-c1nc2sc(nn2c1[*:1])N1CCN(CC1)C(=O)C1CCC1
Cn1c(=O)c2c(nc(Cl)n2CC(=O)NCc2cccc(Cl)c2)n(C)c1=O Clc1cccc(c1)[*:1] Cn1c(=O)c2c(nc(Cl)n2CC(=O)NC[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(Cl)n2CC(=O)NCc2cccc(Cl)c2)n(C)c1=O Clc1cccc(c1)C[*:1] Cn1c(=O)c2c(nc(Cl)n2CC(=O)N[*:1])n(C)c1=O
C[C@@H](NC(=O)C1CCC1)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O C[C@@H](NC(=O)C1CCC1)[*:1] O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)[*:1]
C[C@@H](NC(=O)C1CCC1)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O C1CC(C1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O
C[C@@H](NC(=O)C1CCC1)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Fc1ccc(cc1)C[*:1] C[C@@H](NC(=O)C1CCC1)C(=O)Nc1cccn(c1=O)[*:1]
C[C@@H](NC(=O)C1CCC1)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)C1CCC1)C(=O)Nc1cccn(C[*:1])c1=O
C[C@@H](NC(=O)C1CCC1)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O O=C(N[*:1])C1CCC1 C[C@@H](C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)[*:1]
COCCNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 COC[*:1] O=C(NC[*:1])N1CCN(CC1)Cc1ccc(Cl)s1
COCCNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 COCC[*:1] O=C(N[*:1])N1CCN(CC1)Cc1ccc(Cl)s1
COCCNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] COCCNC(=O)N1CCN(CC1)C[*:1]
CC(=O)c1ccc(NC(=O)N(C)Cc2cc(C)on2)cc1C Cc1cc(no1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N(C)C[*:1]
CC(=O)c1ccc(NC(=O)N(C)Cc2cc(C)on2)cc1C Cc1cc(C[*:1])no1 CC(=O)c1ccc(cc1C)NC(=O)N(C)[*:1]
CC(=O)c1ccc(NC(=O)N(C)Cc2cc(C)on2)cc1C CC(=O)[*:1] Cc1cc(CN(C)C(=O)Nc2ccc(c(C)c2)[*:1])no1
Clc1cncc(NCCNc2cccc3ccccc23)n1 Clc1cncc(n1)[*:1] c1ccc2c(cccc2c1)NCCN[*:1]
CCOc1ccccc1NC(=O)C1CCN(c2cnc3ccccc3n2)CC1 CCO[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)c1cnc2ccccc2n1
CCOc1ccccc1NC(=O)C1CCN(c2cnc3ccccc3n2)CC1 CCOc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)c1cnc2ccccc2n1
Cc1ccc(Nc2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)s2)cc1C Cc1ccc(cc1C)[*:1] CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(N[*:1])s1
Cc1ccc(Nc2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)s2)cc1C CC(C)[*:1] Cc1ccc(cc1C)Nc1nnc(SCC(=O)N[C@](C)(C#N)[*:1])s1
CN/C(NC[C@@H](c1cccs1)N(C)C)=[NH+]/C c1csc(c1)[*:1] CN/C(NC[C@@H](N(C)C)[*:1])=[NH+]/C
CN/C(NC[C@@H](c1cccs1)N(C)C)=[NH+]/C CN(C)[*:1] CN/C(NC[C@@H](c1cccs1)[*:1])=[NH+]/C
C[C@H](CNC(=O)Cc1c(F)cccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)Cc1c(F)cccc1Cl)[*:1]
CNC(=O)c1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1Cl c1coc(c1)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)CCCNC(=O)[*:1]
CNC(=O)c1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1Cl CNC(=O)[*:1] O=C(CCCNC(=O)c1ccco1)Nc1ccc(c(Cl)c1)[*:1]
CNC(=O)c1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1Cl O=C(N[*:1])c1ccco1 CNC(=O)c1ccc(cc1Cl)NC(=O)CCC[*:1]
Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C O=C([O-])[*:1] Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(cc2)[*:1])C(=O)N1C
Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C Cc1ccccc1[*:1] CN1C(=O)[C@H](CC(=O)Nc2ccc(cc2)C(=O)[O-])SC1=N[*:1]
Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)C(=O)N1C O=C([O-])c1ccc(cc1)[*:1] Cc1ccccc1/N=C1\S[C@@H](CC(=O)N[*:1])C(=O)N1C
C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] C[C@@H]([NH2+][C@H]1CC(=O)N(C1)C(C)(C)C)c1ccc(cc1)[*:1]
C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(-n2cnnn2)cc1 CC(C)(C)[*:1] C[C@@H]([NH2+][C@H]1CC(=O)N(C1)[*:1])c1ccc(cc1)-n1cnnn1
COC(=O)/C(=C(/F)SCC(=O)c1ccccc1)C(F)(F)F COC(=O)[*:1] O=C(CS/C(F)=C(/C(F)(F)F)[*:1])c1ccccc1
COC(=O)/C(=C(/F)SCC(=O)c1ccccc1)C(F)(F)F FC(F)(F)[*:1] COC(=O)C(=C(F)SCC(=O)c1ccccc1)[*:1]
COC(=O)/C(=C(/F)SCC(=O)c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] COC(=O)/C(=C(/F)SCC(=O)[*:1])C(F)(F)F
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)NC1CCCCC1
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC1CCCCC1)[*:1]
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CCCC[C@@H](C)[NH2+]CCc1nc2cc(F)ccc2n1C CCCC[*:1] C[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)[*:1]
CCCC[C@@H](C)[NH2+]CCc1nc2cc(F)ccc2n1C CCC[*:1] C[C@H](C[*:1])[NH2+]CCc1nc2cc(F)ccc2n1C
O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cccnc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(Nc1cccc(c1)-c1nc[nH]n1)c1cccnc1[*:1]
COc1ccc(Cc2noc(-c3ccc(OC)c(OC)c3)n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nc(C[*:1])no1
O=C(NCCCn1cccn1)NCCc1ccccc1F c1cnn(c1)[*:1] O=C(NCCC[*:1])NCCc1ccccc1F
O=C(NCCCn1cccn1)NCCc1ccccc1F Fc1ccccc1[*:1] O=C(NCCCn1cccn1)NCC[*:1]
O=C(NCCCn1cccn1)NCCc1ccccc1F c1cnn(c1)CC[*:1] O=C(NCCc1ccccc1F)NC[*:1]
O=C(NCCCn1cccn1)NCCc1ccccc1F c1cnn(c1)C[*:1] O=C(NCCc1ccccc1F)NCC[*:1]
CC(C)(CO)Nc1ccc(F)cc1[N+](=O)[O-] CC(C)(CO)[*:1] O=[N+]([O-])c1cc(F)ccc1N[*:1]
CC(C)(CO)Nc1ccc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(CO)Nc1ccc(F)cc1[*:1]
O=C(COCc1cc(-c2cccs2)on1)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(COCc1cc(on1)-c1cccs1)NC[*:1]
O=C(COCc1cc(-c2cccs2)on1)NCc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(COCc1cc(on1)-c1cccs1)N[*:1]
O=C(COCc1cc(-c2cccs2)on1)NCc1cccc(F)c1 c1csc(c1)[*:1] O=C(COCc1cc(on1)[*:1])NCc1cccc(F)c1
CC(C)(C)OC(=O)N1CCC(Nc2nccs2)CC1 c1csc(n1)N[*:1] CC(C)(C)OC(=O)N1CCC(CC1)[*:1]
CC(C)(C)OC(=O)N1CCC(Nc2nccs2)CC1 c1csc(n1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)N[*:1]
CC(C)(C)OC(=O)N1CCC(Nc2nccs2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)Nc1nccs1
CS(=O)(=O)c1cccc(-c2ccc(C#N)c(O)c2)c1 CS(=O)(=O)[*:1] N#Cc1ccc(cc1O)-c1cccc(c1)[*:1]
O=C(NC1(c2cc(F)ccc2F)CC1)[C@H]1CC2(CC[NH2+]CC2)C[NH2+]1 Fc1ccc(F)c(c1)[*:1] O=C(NC1(CC1)[*:1])[C@H]1CC2(CC[NH2+]CC2)C[NH2+]1
Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CC3)CC2=O)cc1F Cc1ccc(cc1F)[*:1] O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CC3)CC2=O)cc1F O=C(NC1CC1)[*:1] Cc1ccc(cc1F)N1C[C@H](CC1=O)C(=O)Nc1ccccc1[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CC3)CC2=O)cc1F C1CC1[*:1] Cc1ccc(cc1F)N1C[C@H](CC1=O)C(=O)Nc1ccccc1C(=O)N[*:1]
CCN(C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(NNC(=O)[*:1])[C@H]1C[C@@H]1c1ccc(F)cc1
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1Cl Fc1ccc(cc1)[*:1] O=C(NNC(=O)[C@H]1C[C@H]1[*:1])c1cc(Cl)ccc1Cl
O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] O=C([O-])[C@H]1C=C[C@H](C1)NS(=O)(=O)[*:1]
O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)C1 O=C([O-])[*:1] O=S(=O)(N[C@@H]1C=C[C@@H](C1)[*:1])c1ccccc1
Cc1cccc(-c2nc(Cl)n(-c3nc(C)cc(C)n3)n2)c1 Cc1cccc(c1)[*:1] Cc1cc(C)nc(n1)-n1nc(nc1Cl)[*:1]
COc1ccc2sc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(N(C)C)cc3)nc2c1 CN(C)[*:1] COc1ccc2sc(nc2c1)N(CC[NH+]1CCOCC1)C(=O)c1ccc(cc1)[*:1]
COc1ccc2sc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(N(C)C)cc3)nc2c1 CN(C)c1ccc(cc1)[*:1] COc1ccc2sc(nc2c1)N(CC[NH+]1CCOCC1)C(=O)[*:1]
OCCNc1nc(N2CCCCC2)nc2c1cnn2-c1ccc(F)cc1 OCCN[*:1] Fc1ccc(cc1)-n1ncc2c(nc(nc21)N1CCCCC1)[*:1]
OCCNc1nc(N2CCCCC2)nc2c1cnn2-c1ccc(F)cc1 C1CCN(CC1)[*:1] OCCNc1nc(nc2c1cnn2-c1ccc(F)cc1)[*:1]
OCCNc1nc(N2CCCCC2)nc2c1cnn2-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] OCCNc1nc(nc2c1cnn2[*:1])N1CCCCC1
OCCNc1nc(N2CCCCC2)nc2c1cnn2-c1ccc(F)cc1 OCC[*:1] Fc1ccc(cc1)-n1ncc2c(nc(nc21)N1CCCCC1)N[*:1]
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 CCOC(=O)[*:1] Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 Cc1n[nH]c(C)c1[*:1] CCOC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CC(C)(C)C(=O)NCCCNC(=O)c1ccncc1 CC(C)(C)[*:1] O=C(NCCCNC(=O)[*:1])c1ccncc1
CC(C)(C)C(=O)NCCCNC(=O)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(C)C(=O)NCCCNC(=O)[*:1]
CCOc1ccccc1-c1cccc(C(=O)NC[C@@H](C)[S@@](C)=O)c1 CCO[*:1] C[C@H](CNC(=O)c1cccc(c1)-c1ccccc1[*:1])[S@@](C)=O
C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 Fc1ccc(cc1)C[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccncc1
C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc(cc1)-c1ccncc1
CCN(C)C(=O)c1cccc(OC(=O)[C@H](C)OC)c1 CO[C@@H](C)[*:1] CCN(C)C(=O)c1cccc(c1)OC(=O)[*:1]
CCN(C)C(=O)c1cccc(OC(=O)[C@H](C)OC)c1 CCN(C)C(=O)[*:1] CO[C@@H](C)C(=O)Oc1cccc(c1)[*:1]
CC[C@@H](CSC)N(C)C(=O)NCCc1c[nH]c2c(C)cccc12 CSC[*:1] CC[C@@H](N(C)C(=O)NCCc1c[nH]c2c(C)cccc12)[*:1]
COc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)[C@@H](C)[*:1]
O=Cc1ccc(OS(=O)(=O)c2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=Cc1ccc(OS(=O)(=O)c2ccc(F)c(Cl)c2)c(c1)[*:1]
COCCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 COCCCNC(=O)[*:1] Clc1cccc(c1)Cn1ncc2ccc(cc21)[*:1]
COCCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 COCCC[*:1] O=C(N[*:1])c1ccc2cnn(Cc3cccc(Cl)c3)c2c1
COCCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 COC[*:1] O=C(NCC[*:1])c1ccc2cnn(Cc3cccc(Cl)c3)c2c1
COCCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 COCC[*:1] O=C(NC[*:1])c1ccc2cnn(Cc3cccc(Cl)c3)c2c1
COCCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 Clc1cccc(c1)[*:1] COCCCNC(=O)c1ccc2cnn(C[*:1])c2c1
COCCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 Clc1cccc(c1)C[*:1] COCCCNC(=O)c1ccc2cnn(c2c1)[*:1]
Cc1ccc(/C=C/C(=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H](C)C1 O=C([O-])[*:1] Cc1ccc(C=C[*:1])cc1C(=O)N1C[C@@H](C)[C@H](C)C1
Cc1ccc(/C=C/C(=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H](C)C1 O=C([O-])C=C[*:1] Cc1ccc(cc1C(=O)N1C[C@@H](C)[C@H](C)C1)[*:1]
CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)c1 CC(C)[*:1] C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)c1 CC(C)O[*:1] C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(c1)[*:1]
CCc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCN3C(C)=O)cc1 CCc1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)N[C@@H](C)C(=O)N[*:1]
OC[C@@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] OC[C@@H]([NH2+][C@H]1CCSc2ccc(F)cc21)[*:1]
CC(C)C[C@@H](NC(=O)N1CCN(C(=O)N(C)C)CC1)c1cccs1 CC(C)[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)N[C@H](C[*:1])c1cccs1
CC(C)C[C@@H](NC(=O)N1CCN(C(=O)N(C)C)CC1)c1cccs1 CC(C)C[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)N[C@@H](c1cccs1)[*:1]
CC(C)C[C@@H](NC(=O)N1CCN(C(=O)N(C)C)CC1)c1cccs1 c1csc(c1)[*:1] CC(C)C[C@@H](NC(=O)N1CCN(CC1)C(=O)N(C)C)[*:1]
Cc1ccc(N2C[C@H](C(=O)N(C)C[C@H]3CCCO3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] CN(C[C@H]1CCCO1)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)N(C)C[C@H]3CCCO3)CCC2=O)cc1C C1CO[C@H](C1)C[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N(C)[*:1]
Cc1ccc(N2C[C@H](C(=O)N(C)C[C@H]3CCCO3)CCC2=O)cc1C C1CO[C@H](C1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N(C)C[*:1]
COc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1C O=C([O-])[*:1] COc1ccc(cc1C)-c1cc(F)cc(c1)[*:1]
Cc1ccc([N+](=O)[O-])c(NCC2(c3ccncc3)CC2)n1 O=[N+]([O-])[*:1] Cc1ccc(c(n1)NCC1(CC1)c1ccncc1)[*:1]
Cc1ccc([N+](=O)[O-])c(NCC2(c3ccncc3)CC2)n1 c1cc(ccn1)[*:1] Cc1ccc(c(n1)NCC1(CC1)[*:1])[N+](=O)[O-]
O[C@H](CCC1CCCC1)Cc1ccc2ccccc2n1 C1CCC(C1)[*:1] O[C@H](CC[*:1])Cc1ccc2ccccc2n1
O[C@H](CCC1CCCC1)Cc1ccc2ccccc2n1 C1CCC(C1)C[*:1] O[C@@H](Cc1ccc2ccccc2n1)C[*:1]
C[C@@H](CO)CSc1ccnc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] C[C@@H](CO)CSc1ccnc(c1)C(=O)N[*:1]
C[C@@H](CO)CSc1ccnc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H](CO)CSc1ccnc(c1)C(=O)NC[*:1]
COC(=O)Cn1c(=O)n(C)c(=O)c2c(C)c(C(C)=O)sc21 COC(=O)[*:1] CC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2C[*:1]
COC(=O)Cn1c(=O)n(C)c(=O)c2c(C)c(C(C)=O)sc21 COC(=O)C[*:1] CC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2[*:1]
COC(=O)Cn1c(=O)n(C)c(=O)c2c(C)c(C(C)=O)sc21 CC(=O)[*:1] COC(=O)Cn1c(=O)n(C)c(=O)c2c(C)c(sc21)[*:1]
CC(=O)c1c(C)nsc1NCCC1CCCCC1 C1CCC(CC1)[*:1] CC(=O)c1c(C)nsc1NCC[*:1]
CC(=O)c1c(C)nsc1NCCC1CCCCC1 CC(=O)[*:1] Cc1nsc(NCCC2CCCCC2)c1[*:1]
CC(C)n1nc(C(=O)NCCCn2cc[nH+]c2)c2ccccc2c1=O CC(C)[*:1] O=C(NCCCn1cc[nH+]c1)c1nn(c(=O)c2ccccc12)[*:1]
COC(=O)c1ccc2c(c1)=[NH+][C@H](c1cn(CCC(=O)[O-])c3ccccc13)[NH+]=2 O=C([O-])[*:1] COC(=O)c1ccc2=[NH+][C@H]([NH+]=c2c1)c1cn(CC[*:1])c2ccccc12
COC(=O)c1ccc2c(c1)=[NH+][C@H](c1cn(CCC(=O)[O-])c3ccccc13)[NH+]=2 COC(=O)[*:1] O=C([O-])CCn1cc(c2ccccc21)[C@@H]1[NH+]=c2ccc(cc2=[NH+]1)[*:1]
COC(=O)c1ccc2c(c1)=[NH+][C@H](c1cn(CCC(=O)[O-])c3ccccc13)[NH+]=2 O=C([O-])CC[*:1] COC(=O)c1ccc2=[NH+][C@H]([NH+]=c2c1)c1cn(c2ccccc12)[*:1]
COC(=O)c1ccc2c(c1)=[NH+][C@H](c1cn(CCC(=O)[O-])c3ccccc13)[NH+]=2 O=C([O-])C[*:1] COC(=O)c1ccc2=[NH+][C@H]([NH+]=c2c1)c1cn(C[*:1])c2ccccc12
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 O=[N+]([O-])[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1ccc(cc1)OC(F)F
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1]
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)O[*:1]
COCCOc1cc(C)ccc1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 COCCO[*:1] Cc1ccc(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)c(c1)[*:1]
COCCOc1cc(C)ccc1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 COCC[*:1] Cc1ccc(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)c(c1)O[*:1]
COCCOc1cc(C)ccc1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 COC[*:1] Cc1ccc(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)c(c1)OC[*:1]
CCc1noc(CC)c1CC(=O)Nc1cc(-c2ccccc2)ns1 c1ccc(cc1)[*:1] CCc1noc(CC)c1CC(=O)Nc1cc(ns1)[*:1]
O=C([O-])c1ccccc1NC[C@@H]1CN2CCC[C@@H]2CO1 O=C([O-])[*:1] c1ccc(c(c1)NC[C@@H]1CN2CCC[C@@H]2CO1)[*:1]
C[C@@H]1CN(C(=O)NCc2ccc(F)c(Cn3ccnc3)c2)CCO1 c1cn(cn1)[*:1] C[C@@H]1CN(CCO1)C(=O)NCc1ccc(F)c(c1)C[*:1]
C[C@@H]1CN(C(=O)NCc2ccc(F)c(Cn3ccnc3)c2)CCO1 c1cn(cn1)C[*:1] C[C@@H]1CN(CCO1)C(=O)NCc1ccc(F)c(c1)[*:1]
COC(=O)CN(Cc1c(N)ncnc1OC)C(C)C COC(=O)[*:1] COc1ncnc(N)c1CN(C[*:1])C(C)C
COC(=O)CN(Cc1c(N)ncnc1OC)C(C)C COC(=O)C[*:1] COc1ncnc(N)c1CN(C(C)C)[*:1]
COC(=O)CN(Cc1c(N)ncnc1OC)C(C)C CC(C)[*:1] COC(=O)CN(Cc1c(N)ncnc1OC)[*:1]
C#CCn1/c(=N/C(=O)c2cn(C)nc2OC)sc2cc(CC)ccc21 C#CC[*:1] CCc1ccc2c(c1)s/c(=N\C(=O)c1cn(C)nc1OC)n2[*:1]
C#CCn1/c(=N/C(=O)c2cn(C)nc2OC)sc2cc(CC)ccc21 COc1nn(C)cc1[*:1] C#CCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)CC
O=C(NCCN1C(=O)CCC1=O)Nc1cnc(-c2ccccc2)s1 O=C1CCC(=O)N1C[*:1] O=C(NC[*:1])Nc1cnc(s1)-c1ccccc1
O=C(NCCN1C(=O)CCC1=O)Nc1cnc(-c2ccccc2)s1 O=C1CCC(=O)N1[*:1] O=C(NCC[*:1])Nc1cnc(s1)-c1ccccc1
O=C(NCCN1C(=O)CCC1=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(NCCN1C(=O)CCC1=O)Nc1cnc(s1)[*:1]
O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cccc2cnccc12 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1cccc2cnccc12
O=C(CSc1ncnc2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 c1cc2CCCc2cc1[*:1] O=C(CSc1ncnc2ccccc12)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CSc1ncnc2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 c1ccc2c(ncnc2c1)[*:1] O=C(CS[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1
Cc1ccccc1CNC(=O)[C@@H](C)N1CC[S@@](=O)C(C)(C)C1 Cc1ccccc1[*:1] C[C@H](C(=O)NC[*:1])N1CC[S@@](=O)C(C)(C)C1
CC(C)c1nc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cs1 CC(C)[*:1] C[C@H](NC(=O)c1cccc(c1)[N+](=O)[O-])c1csc(n1)[*:1]
CC(C)c1nc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cs1 O=[N+]([O-])[*:1] CC(C)c1nc(cs1)[C@H](C)NC(=O)c1cccc(c1)[*:1]
CCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)N1CC[C@@H](C)[C@@H](O)C1
CCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)N1CC[C@@H](C)[C@@H](O)C1
CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(F)cc1Cl CC(C)[*:1] CC(C)c1cccc(c1NC(=O)COc1ccc(F)cc1Cl)[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] CC(C)c1cccc(c1NC(=O)CO[*:1])C(C)C
Cc1nc(S(=O)(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cn1C Cc1nc(cn1C)[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)NS(=O)(=O)[*:1]
Cc1nc(S(=O)(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cn1C CC(C)O[*:1] Cc1nc(cn1C)S(=O)(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1nc(S(=O)(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cn1C CC(C)[*:1] Cc1nc(cn1C)S(=O)(=O)N[C@H](C)c1ccc(cc1)O[*:1]
C[NH+]1CCN(Cc2cccc(NC(=O)/C=C/c3ccc(F)cc3)c2)CC1 Fc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)Cc1cccc(c1)NC(=O)C=C[*:1]
C[C@@H](Nc1cccc(Cl)c1)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Nc1cccc(Cl)c1)[C@@H](C)[*:1]
CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 O=[N+]([O-])[*:1] CCC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)c1cc(ccc1C)[*:1]
CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 CCC(C)(C)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1])[N+](=O)[O-]
CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 CCC(C)(C)NC(=O)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)[*:1])[N+](=O)[O-]
CCC(CC)(C(=O)NC[C@H]1CCOC1)c1ccc(Cl)cc1 C1C[C@@H](CO1)C[*:1] CCC(CC)(C(=O)N[*:1])c1ccc(Cl)cc1
CCC(CC)(C(=O)NC[C@H]1CCOC1)c1ccc(Cl)cc1 C1C[C@@H](CO1)[*:1] CCC(CC)(C(=O)NC[*:1])c1ccc(Cl)cc1
CCC(CC)(C(=O)NC[C@H]1CCOC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCC(CC)(C(=O)NC[C@H]1CCOC1)[*:1]
Cc1nc(C)c(C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)o1 CC(C)(C)[*:1] Cc1nc(C)c(o1)C(=O)Nc1ccccc1CN(C)C(=O)O[*:1]
Cc1nc(C)c(C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)o1 Cc1nc(C)c(o1)[*:1] CN(Cc1ccccc1NC(=O)[*:1])C(=O)OC(C)(C)C
O=C(Nc1cccnc1)c1ccccc1-c1ccccc1 c1cncc(c1)[*:1] O=C(N[*:1])c1ccccc1-c1ccccc1
O=C(Nc1cccnc1)c1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccnc1)c1ccccc1[*:1]
Cc1ccccc1NC(=O)Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4 Cc1ccccc1[*:1] O=C(Cn1nc2c3c4CCCCc4sc3ncn2c1=O)N[*:1]
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2cscn2)cc1 c1nc(cs1)[*:1] CC(=O)Nc1ccc(cc1)S[C@@H](C)C(=O)NC[*:1]
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2cscn2)cc1 c1nc(cs1)C[*:1] CC(=O)Nc1ccc(cc1)S[C@@H](C)C(=O)N[*:1]
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2cscn2)cc1 CC(=O)N[*:1] C[C@H](Sc1ccc(cc1)[*:1])C(=O)NCc1cscn1
CCc1noc(CCC(=O)N2CC[C@@H](C(=O)NC3CCCC3)C2)n1 O=C(NC1CCCC1)[*:1] CCc1noc(CCC(=O)N2CC[C@@H](C2)[*:1])n1
CCc1noc(CCC(=O)N2CC[C@@H](C(=O)NC3CCCC3)C2)n1 CCc1noc(n1)[*:1] O=C(NC1CCCC1)[C@@H]1CCN(C1)C(=O)CC[*:1]
CCc1noc(CCC(=O)N2CC[C@@H](C(=O)NC3CCCC3)C2)n1 CCc1noc(C[*:1])n1 O=C(NC1CCCC1)[C@@H]1CCN(C1)C(=O)C[*:1]
CCc1noc(CCC(=O)N2CC[C@@H](C(=O)NC3CCCC3)C2)n1 C1CCC(C1)[*:1] CCc1noc(CCC(=O)N2CC[C@H](C2)C(=O)N[*:1])n1
CC(C)C[C@@H](C[NH3+])C(=O)N1C[C@H](O)C[C@@H]1C[NH+](C)C CC(C)C[*:1] C[NH+](C)C[C@H]1C[C@@H](O)CN1C(=O)[C@H](C[NH3+])[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)N1C[C@H](O)C[C@@H]1C[NH+](C)C CC(C)[*:1] C[NH+](C)C[C@H]1C[C@@H](O)CN1C(=O)[C@H](C[NH3+])C[*:1]
CCN(C(=O)COC(=O)c1cc2ccccc2[nH]1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)COC(=O)c1cc2ccccc2[nH]1)[*:1]
C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1nc2ccccc2n1C c1ccc(cc1)[*:1] C[C@@H]([NH2+]C[C@H](N1CCOCC1)[*:1])c1nc2ccccc2n1C
C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1nc2ccccc2n1C C1CN(CCO1)[*:1] C[C@@H]([NH2+]C[C@H](c1ccccc1)[*:1])c1nc2ccccc2n1C
C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 Fc1ccc(c(Br)c1)[*:1] C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)CS4)cn2)n1 Cc1cc(C)n(n1)[*:1] O=C1CSc2ccc(cc2N1)C(=O)NCc1ccc(nc1)[*:1]
Cc1c(C2CC2)n[nH]c1NC(=O)[C@@H](C)OCC1CC1 C1CC1[*:1] Cc1c(n[nH]c1NC(=O)[C@@H](C)OC[*:1])C1CC1
Cc1c(C2CC2)n[nH]c1NC(=O)[C@@H](C)OCC1CC1 C1CC1CO[*:1] Cc1c(n[nH]c1NC(=O)[C@@H](C)[*:1])C1CC1
Cc1c(C2CC2)n[nH]c1NC(=O)[C@@H](C)OCC1CC1 C1CC1[*:1] Cc1c(n[nH]c1NC(=O)[C@@H](C)OCC1CC1)[*:1]
Cc1c(C2CC2)n[nH]c1NC(=O)[C@@H](C)OCC1CC1 C1CC1C[*:1] Cc1c(n[nH]c1NC(=O)[C@@H](C)O[*:1])C1CC1
CC[C@@H](C)NC(=O)c1cccc(CNc2nccc(C(F)(F)F)n2)c1 CC[C@@H](C)[*:1] O=C(N[*:1])c1cccc(c1)CNc1nccc(n1)C(F)(F)F
CC[C@@H](C)NC(=O)c1cccc(CNc2nccc(C(F)(F)F)n2)c1 FC(F)(F)[*:1] CC[C@@H](C)NC(=O)c1cccc(c1)CNc1nccc(n1)[*:1]
CC[C@@H](C)NC(=O)c1cccc(CNc2nccc(C(F)(F)F)n2)c1 CC[C@@H](C)NC(=O)[*:1] FC(F)(F)c1ccnc(n1)NCc1cccc(c1)[*:1]
Cc1cc(NCc2ccc(Cl)s2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])NCc1ccc(Cl)s1
Cc1cc(NCc2ccc(Cl)s2)ncc1[N+](=O)[O-] Clc1ccc(s1)[*:1] Cc1cc(ncc1[N+](=O)[O-])NC[*:1]
CCC1(CNC(=O)NC2CCN(C(=O)OC)CC2)CCC1 CCC1(CCC1)C[*:1] COC(=O)N1CCC(CC1)NC(=O)N[*:1]
CCC1(CNC(=O)NC2CCN(C(=O)OC)CC2)CCC1 CCC1(CCC1)[*:1] COC(=O)N1CCC(CC1)NC(=O)NC[*:1]
COc1ccc([C@@H](O)[C@@H](C)N[C@@H](C)c2nccs2)cc1 c1csc(n1)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)N[C@@H](C)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)c2csc(C#CCCO)c2)C1 OCC[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1csc(C#C[*:1])c1
C[C@@H]1C[C@@H](C)CN(C(=O)c2csc(C#CCCO)c2)C1 OCCC#C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1csc(c1)[*:1]
CCCCOC(=O)c1cc(-c2ccco2)n(-c2ncccc2Cl)n1 c1coc(c1)[*:1] CCCCOC(=O)c1cc(n(n1)-c1ncccc1Cl)[*:1]
CCCCOC(=O)c1cc(-c2ccco2)n(-c2ncccc2Cl)n1 CCC[*:1] O=C(OC[*:1])c1cc(-c2ccco2)n(n1)-c1ncccc1Cl
CCCCOC(=O)c1cc(-c2ccco2)n(-c2ncccc2Cl)n1 CCCC[*:1] O=C(O[*:1])c1cc(-c2ccco2)n(n1)-c1ncccc1Cl
CCCCOC(=O)c1cc(-c2ccco2)n(-c2ncccc2Cl)n1 CCCCOC(=O)[*:1] Clc1cccnc1-n1nc(cc1-c1ccco1)[*:1]
CCCCOC(=O)c1cc(-c2ccco2)n(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] CCCCOC(=O)c1cc(-c2ccco2)n(n1)[*:1]
COc1ccc(Cl)cc1C(=O)NCCn1nc(-n2cccn2)ccc1=O c1cnn(c1)[*:1] COc1ccc(Cl)cc1C(=O)NCCn1nc(ccc1=O)[*:1]
CNC(=O)c1ccccc1NC(=O)c1coc(-c2ccccc2)n1 CNC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1coc(n1)-c1ccccc1
CNC(=O)c1ccccc1NC(=O)c1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CNC(=O)c1ccccc1NC(=O)c1coc(n1)[*:1]
Cc1ccc([C@H](C)NC(=S)Nc2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)[C@H](C)NC(=S)N[*:1]
CCCCCC[C@@H](C)NC(=O)c1nc(C)n[nH]1 CCC[*:1] Cc1n[nH]c(n1)C(=O)N[C@H](C)CCC[*:1]
CCCCCC[C@@H](C)NC(=O)c1nc(C)n[nH]1 CCCCC[*:1] Cc1n[nH]c(n1)C(=O)N[C@H](C)C[*:1]
CCCCCC[C@@H](C)NC(=O)c1nc(C)n[nH]1 CCCC[*:1] Cc1n[nH]c(n1)C(=O)N[C@H](C)CC[*:1]
O=S(=O)(CCN1CCc2ccc(Cl)cc2C1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(CCN1CCc2ccc(Cl)cc2C1)[*:1]
Nc1ccc(S(=O)(=O)NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 C1CCN(CC1)[*:1] Nc1ccc(cc1)S(=O)(=O)NNc1nc(nc(n1)[*:1])N1CCCCC1
Nc1ccc(S(=O)(=O)NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 Nc1ccc(cc1)[*:1] O=S(=O)(NNc1nc(nc(n1)N1CCCCC1)N1CCCCC1)[*:1]
O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)[*:1])Nc1ccc(F)cc1
O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N[*:1]
C[C@@H](CNC(=O)CCc1ccsc1)N1CCc2ccccc21 c1cc(cs1)C[*:1] C[C@@H](CNC(=O)C[*:1])N1CCc2ccccc21
C[C@@H](CNC(=O)CCc1ccsc1)N1CCc2ccccc21 c1cc(cs1)[*:1] C[C@@H](CNC(=O)CC[*:1])N1CCc2ccccc21
C[C@@H](CNC(=O)CCc1ccsc1)N1CCc2ccccc21 c1cc(cs1)CC[*:1] C[C@@H](CNC(=O)[*:1])N1CCc2ccccc21
O=Cc1ccc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] O=Cc1ccc(Cl)cc1[*:1]
COC(=O)NCC(=O)N1CCC[C@@H](COc2ccc(OC)cc2)C1 COC(=O)NC[*:1] COc1ccc(cc1)OC[C@@H]1CCCN(C1)C(=O)[*:1]
COC(=O)NCC(=O)N1CCC[C@@H](COc2ccc(OC)cc2)C1 COC(=O)N[*:1] COc1ccc(cc1)OC[C@@H]1CCCN(C1)C(=O)C[*:1]
COC(=O)NCC(=O)N1CCC[C@@H](COc2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] COC(=O)NCC(=O)N1CCC[C@@H](CO[*:1])C1
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1(CCCC1)[*:1]
CCc1nc2ccccc2n1CCC(=O)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 c1cncc(c1)[*:1] CCc1nc2ccccc2n1CCC(=O)N1CCC[C@H](C1)c1nc(no1)[*:1]
COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2[*:1])c(c1)OC
COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
Fc1ccc(-c2cc3ncnc(N4CCN(c5cccc[nH+]5)CC4)c3s2)cc1 Fc1ccc(cc1)[*:1] c1ccc([nH+]c1)N1CCN(CC1)c1ncnc2cc(sc12)[*:1]
CCOC[C@H]1CCCN(C(=O)NCc2ccc(OC(C)C)cc2)C1 CC(C)O[*:1] CCOC[C@H]1CCCN(C1)C(=O)NCc1ccc(cc1)[*:1]
CCOC[C@H]1CCCN(C(=O)NCc2ccc(OC(C)C)cc2)C1 CCO[*:1] CC(C)Oc1ccc(cc1)CNC(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)NCc2ccc(OC(C)C)cc2)C1 CCOC[*:1] CC(C)Oc1ccc(cc1)CNC(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)NCc2ccc(OC(C)C)cc2)C1 CC(C)[*:1] CCOC[C@H]1CCCN(C1)C(=O)NCc1ccc(cc1)O[*:1]
CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 CCOC(=O)[*:1] CCc1cc(c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)s1)[*:1]
CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 O=C([O-])[*:1] CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1[C@@H]([C@H]2CC[C@@H]1C2)[*:1]
CCN(CC)c1ncc(C[NH+](C)C(C)(C)CC)s1 CCC(C)(C)[*:1] CCN(CC)c1ncc(C[NH+](C)[*:1])s1
CCN(CC)c1ncc(C[NH+](C)C(C)(C)CC)s1 CCN(CC)[*:1] CCC(C)(C)[NH+](C)Cc1cnc(s1)[*:1]
Cc1cccc(NC(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)c1 Cc1cccc(c1)[*:1] O=C(COc1ccc(cc1)-c1cnc2ccccc2n1)N[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)N(C)CCC(C)C CC(C)C[*:1] COc1ccc(cc1NC(=O)N(C)C[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)N(C)CCC(C)C CC(C)CC[*:1] COc1ccc(cc1NC(=O)N(C)[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)N(C)CCC(C)C CC(=O)N[*:1] COc1ccc(cc1NC(=O)N(C)CCC(C)C)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)N(C)CCC(C)C CC(C)[*:1] COc1ccc(cc1NC(=O)N(C)CC[*:1])NC(C)=O
CSCCNS(=O)(=O)c1cc(N)c(C)cc1Cl CSC[*:1] Cc1cc(Cl)c(cc1N)S(=O)(=O)NC[*:1]
CSCCNS(=O)(=O)c1cc(N)c(C)cc1Cl CSCC[*:1] Cc1cc(Cl)c(cc1N)S(=O)(=O)N[*:1]
Cc1cc(C(=O)N(C)[C@H]2CCSC2)sc1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] Cc1cc(sc1[*:1])C(=O)N(C)[C@H]1CCSC1
Cc1cc(C(=O)N(C)[C@H]2CCSC2)sc1/C=C/C(=O)[O-] O=C([O-])[*:1] Cc1cc(sc1C=C[*:1])C(=O)N(C)[C@H]1CCSC1
Cc1cc(C(=O)N(C)[C@H]2CCSC2)sc1/C=C/C(=O)[O-] C1C[C@@H](CS1)[*:1] Cc1cc(sc1/C=C/C(=O)[O-])C(=O)N(C)[*:1]
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1O[*:1]
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1[*:1]
Cc1nn(C)cc1CCC(=O)O[C@@H](c1ccc(F)c(F)c1)C(C)C Cc1nn(C)cc1[*:1] CC(C)[C@@H](OC(=O)CC[*:1])c1ccc(F)c(F)c1
Cc1nn(C)cc1CCC(=O)O[C@@H](c1ccc(F)c(F)c1)C(C)C Fc1ccc(cc1F)[*:1] Cc1nn(C)cc1CCC(=O)O[C@@H](C(C)C)[*:1]
Cc1nn(C)cc1CCC(=O)O[C@@H](c1ccc(F)c(F)c1)C(C)C Cc1nn(C)cc1C[*:1] CC(C)[C@@H](OC(=O)C[*:1])c1ccc(F)c(F)c1
Cc1nn(C)cc1CCC(=O)O[C@@H](c1ccc(F)c(F)c1)C(C)C CC(C)[*:1] Cc1nn(C)cc1CCC(=O)O[C@@H](c1ccc(F)c(F)c1)[*:1]
Cc1cccc(OCCCNC(=O)Cn2cnc(C#N)n2)c1 N#Cc1ncn(n1)[*:1] Cc1cccc(c1)OCCCNC(=O)C[*:1]
Cc1cccc(OCCCNC(=O)Cn2cnc(C#N)n2)c1 Cc1cccc(c1)[*:1] N#Cc1ncn(CC(=O)NCCCO[*:1])n1
CCC[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)Cc1nccs1 c1csc(n1)[*:1] CCC[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)C[*:1]
CCC[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)Cc1nccs1 c1csc(C[*:1])n1 CCC[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)[*:1]
CCC[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)Cc1nccs1 CCC[*:1] Clc1ccc(cc1Cl)C[C@H](Cc1nccs1)[NH2+][*:1]
CC[C@](C)(NCc1ccco1)c1nnnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@](C)(NCc1ccco1)c1nnnn1[*:1]
CC[C@](C)(NCc1ccco1)c1nnnn1-c1ccc(Cl)cc1 c1coc(c1)CN[*:1] CC[C@](C)(c1nnnn1-c1ccc(Cl)cc1)[*:1]
CC[C@](C)(NCc1ccco1)c1nnnn1-c1ccc(Cl)cc1 c1coc(c1)C[*:1] CC[C@](C)(N[*:1])c1nnnn1-c1ccc(Cl)cc1
CC[C@](C)(NCc1ccco1)c1nnnn1-c1ccc(Cl)cc1 c1coc(c1)[*:1] CC[C@](C)(NC[*:1])c1nnnn1-c1ccc(Cl)cc1
CO[C@@H](CNCc1cn(C)nc1-c1ccncc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNCc1cn(C)nc1-c1ccncc1)[*:1]
CO[C@@H](CNCc1cn(C)nc1-c1ccncc1)c1ccc(F)cc1 c1cc(ccn1)[*:1] CO[C@@H](CNCc1cn(C)nc1[*:1])c1ccc(F)cc1
CCC[C@H]1CN([C@@H](C)c2cc(C)c(C(=O)OC)o2)CCO1 CCC[*:1] COC(=O)c1oc(cc1C)[C@H](C)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN([C@@H](C)c2cc(C)c(C(=O)OC)o2)CCO1 COC(=O)[*:1] CCC[C@H]1CN(CCO1)[C@@H](C)c1cc(C)c(o1)[*:1]
C[C@H](c1ccccc1)S(=O)(=O)CC(=O)Nc1ccc(F)cc1Cl c1ccc(cc1)[*:1] C[C@H](S(=O)(=O)CC(=O)Nc1ccc(F)cc1Cl)[*:1]
C[C@H]1CCCN(c2ncnc(Nc3ccc(Cl)c(Cl)c3)c2N)C1 C[C@H]1CCCN(C1)[*:1] Nc1c(ncnc1[*:1])Nc1ccc(Cl)c(Cl)c1
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(F)cc3)nc2c1 Fc1ccc(cc1)[*:1] Cc1ccc2[nH]c(nc2c1)C(C#N)=C[*:1]
C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(C2CC2)c1=O)c1ccco1 C[C@@H](c1ccco1)[*:1] N#Cc1cn(c(=O)n(CC(=O)N[*:1])c1=O)C1CC1
C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(C2CC2)c1=O)c1ccco1 C1CC1[*:1] C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(c1=O)[*:1])c1ccco1
C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(C2CC2)c1=O)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(c1=O)C1CC1)[*:1]
CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)C(C)(C)O1 FC(F)(F)[*:1] CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2cccc(c2)[*:1])C(C)(C)O1
Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)Cc3ccc(Cl)cc3)cc21 O=C(Cc1ccc(Cl)cc1)N[*:1] Cn1c(=O)n(C)c2cc(c(cc21)S(=O)(=O)c1ccc(F)cc1)[*:1]
Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)Cc3ccc(Cl)cc3)cc21 O=S(=O)(c1ccc(F)cc1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)Cc1ccc(Cl)cc1)[*:1]
Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)Cc3ccc(Cl)cc3)cc21 Clc1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)C[*:1])S(=O)(=O)c1ccc(F)cc1
Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)Cc3ccc(Cl)cc3)cc21 Clc1ccc(cc1)C[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)[*:1])S(=O)(=O)c1ccc(F)cc1
Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)Cc3ccc(Cl)cc3)cc21 Fc1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)Cc1ccc(Cl)cc1)S(=O)(=O)[*:1]
Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@H](C)c3cccc(O)c3)c(C)c12 C[C@H](c1cccc(O)c1)[*:1] Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[*:1])c(C)c12
Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@H](C)c3cccc(O)c3)c(C)c12 Oc1cccc(c1)[*:1] Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@H](C)[*:1])c(C)c12
CCOC(=O)c1nn(-c2ccccc2F)c(N)c1C#N CCOC(=O)[*:1] N#Cc1c(nn(-c2ccccc2F)c1N)[*:1]
CC(=O)c1cc(C)ccc1O[C@@H]1CCO[C@]2(CCOC2)C1 CC(=O)[*:1] Cc1ccc(O[C@@H]2CCO[C@]3(CCOC3)C2)c(c1)[*:1]
C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1nnc(o1)[*:1]
CCOC(=O)[C@@H](C)CNC(=O)Nc1ccc(-c2csc(C)n2)cc1 Cc1nc(cs1)[*:1] CCOC(=O)[C@@H](C)CNC(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)[C@@H](C)CNC(=O)Nc1ccc(-c2csc(C)n2)cc1 CCOC(=O)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)NC[C@H](C)[*:1]
CS(=O)(=O)c1ccc(Cc2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)o2)cc1 CS(=O)(=O)[*:1] O=C(Nc1nnc(Cc2ccc(cc2)[*:1])o1)C12CC3CC(CC(C3)C1)C2
O=C1NCCN(Cc2c(F)cccc2Cl)[C@H]1CC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C1NCCN(Cc2c(F)cccc2Cl)[C@H]1C[*:1]
O=C1NCCN(Cc2c(F)cccc2Cl)[C@H]1CC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C1NCCN(Cc2c(F)cccc2Cl)[C@@H]1[*:1]
O=C1NCCN(Cc2c(F)cccc2Cl)[C@H]1CC(=O)N1CCCC1 Fc1cccc(Cl)c1[*:1] O=C1NCCN(C[*:1])[C@H]1CC(=O)N1CCCC1
COc1cccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2cccnc2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(-c2cccnc2)n1[*:1]
COc1cccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2cccnc2)c1 c1cncc(c1)[*:1] COc1cccc(c1)-n1c(nnc1[*:1])SCC(=O)Nc1ccc(C)c(C)c1
COc1cccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2cccnc2)c1 Cc1ccc(cc1C)[*:1] COc1cccc(c1)-n1c(nnc1-c1cccnc1)SCC(=O)N[*:1]
COc1ccccc1[C@H](NC(=O)c1cccc(C)c1C)c1noc(C)n1 Cc1cccc(c1C)[*:1] COc1ccccc1[C@H](NC(=O)[*:1])c1noc(C)n1
COc1ccccc1[C@H](NC(=O)c1cccc(C)c1C)c1noc(C)n1 Cc1nc(no1)[*:1] COc1ccccc1[C@H](NC(=O)c1cccc(C)c1C)[*:1]
COc1ccccc1[C@H](NC(=O)c1cccc(C)c1C)c1noc(C)n1 COc1ccccc1[*:1] Cc1nc(no1)[C@@H](NC(=O)c1cccc(C)c1C)[*:1]
O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1ccc(cc1)[N+](=O)[O-])N1CCC(CC1)[*:1]
O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccc2)CC1 O=[N+]([O-])[*:1] O=C(CSc1ccc(cc1)[*:1])N1CCC(CC1)c1ccccc1
CCc1c(C(=O)/N=c2\[nH]nc3ccccn23)cnn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)/N=c1\[nH]nc2ccccn12
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)cc2)C[C@H](C)O1 c1ncn(n1)-c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)[*:1]
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)cc2)C[C@H](C)O1 c1ncn(n1)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCc1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1 Cc1ccc(C)c(c1)[*:1] CCc1ccc(cc1)NC(=O)Cn1ncn2nc(cc2c1=O)[*:1]
CCc1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)-c1cc2c(=O)n(CC(=O)N[*:1])ncn2n1
CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccccc1 Clc1cccc(c1)[*:1] CCN(C[*:1])C(=O)C(=O)Nc1ccccc1
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]1(C[NH3+])C2 CC(C)(C)[*:1] [NH3+]C[C@@]12CC[C@@H](CN1C(=O)O[*:1])C2
COC[C@H](C)OC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 c1ccc(cc1)[*:1] COC[C@H](C)OC(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
COC[C@H](C)OC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 COC[*:1] C[C@H](OC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12)[*:1]
COC[C@H](C)OC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 c1ccc(cc1)C[*:1] COC[C@H](C)OC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCn2cccn2)c(F)c1 c1cnn(c1)CC[*:1] Cc1ccc(c(F)c1)S(=O)(=O)/N=C(\[O-])C[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCn2cccn2)c(F)c1 c1cnn(c1)C[*:1] Cc1ccc(c(F)c1)S(=O)(=O)/N=C(\[O-])CC[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCn2cccn2)c(F)c1 c1cnn(c1)[*:1] Cc1ccc(c(F)c1)S(=O)(=O)/N=C(\[O-])CCC[*:1]
CC(C)(C)C(=O)NCCC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 Fc1ccc(cc1)[*:1] CC(C)(C)C(=O)NCCC(=O)N[C@@H]([C@H]1CCCO1)[*:1]
CC(C)(C)C(=O)NCCC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 CC(C)(C)C(=O)N[*:1] O=C(CC[*:1])N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1
CC(C)(C)C(=O)NCCC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 CC(C)(C)[*:1] O=C(CCNC(=O)[*:1])N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1
CC(C)(C)C(=O)NCCC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(C)(C)C(=O)NCCC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)(C)C(=O)NCCC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 CC(C)(C)C(=O)NC[*:1] O=C(C[*:1])N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1
Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)c1cccc(c1)S(=O)(=O)[N-]c1ccccc1Cl)[*:1]
Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)S(=O)(=O)[N-]c1ccccc1Cl
Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)o1 Clc1ccccc1[*:1] Cc1ccc(CN(C)C(=O)c2cccc(c2)S(=O)(=O)[N-][*:1])o1
CCCn1cncc1[C@@H](O)[C@@]1(C#N)CCc2ccccc21 CCC[*:1] N#C[C@@]1(CCc2ccccc21)[C@H](O)c1cncn1[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccnc1 O=[N+]([O-])[*:1] FC(F)(F)c1ccc(Oc2cccnc2)c(c1)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccnc1 c1cncc(c1)[*:1] O=[N+]([O-])c1cc(ccc1O[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccnc1 FC(F)(F)[*:1] O=[N+]([O-])c1cc(ccc1Oc1cccnc1)[*:1]
O=C([O-])Cc1csc(Sc2ncnc3c2CCCC3)n1 O=C([O-])C[*:1] c1nc2CCCCc2c(n1)Sc1nc(cs1)[*:1]
O=C([O-])Cc1csc(Sc2ncnc3c2CCCC3)n1 O=C([O-])[*:1] c1nc2CCCCc2c(n1)Sc1nc(cs1)C[*:1]
C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc3cccnc23)c1 C=CC[*:1] O=C(NCc1cccc2cccnc12)c1cccc(c1)S(=O)(=O)N[*:1]
C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc3cccnc23)c1 C=CCNS(=O)(=O)[*:1] O=C(NCc1cccc2cccnc12)c1cccc(c1)[*:1]
C=CC[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1ccco1 c1coc(c1)[*:1] C=CC[NH+](Cc1cccc(c1)[N+](=O)[O-])C[*:1]
C=CC[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1ccco1 O=[N+]([O-])[*:1] C=CC[NH+](Cc1cccc(c1)[*:1])Cc1ccco1
C=CC[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1ccco1 c1coc(c1)C[*:1] C=CC[NH+](Cc1cccc(c1)[N+](=O)[O-])[*:1]
O=C(Nc1cnc2ccccc2n1)C1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cnc2ccccc2n1)C1CCN(CC1)C(=O)[*:1]
CS(=O)(=O)N1CCC[C@@H](c2cncc(-c3cn[nH]c3)n2)C1 c1n[nH]cc1[*:1] CS(=O)(=O)N1CCC[C@H](C1)c1cncc(n1)[*:1]
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cncc(Br)c1 COC(=O)[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])c1cncc(Br)c1
CN(C(=O)c1ccc(N2CCCC2)nc1)[C@@H]1CCc2ccccc2C1 C1CCN(C1)[*:1] CN(C(=O)c1ccc(nc1)[*:1])[C@@H]1CCc2ccccc2C1
COCCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(C)nc21 COCC[*:1] Cc1cc(c2c(=O)[nH]c(=S)n(C[*:1])c2n1)C(F)F
COCCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(C)nc21 COCCC[*:1] Cc1cc(c2c(=O)[nH]c(=S)n(c2n1)[*:1])C(F)F
COCCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(C)nc21 FC(F)[*:1] COCCCn1c(=S)[nH]c(=O)c2c(cc(C)nc21)[*:1]
COCCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(C)nc21 COC[*:1] Cc1cc(c2c(=O)[nH]c(=S)n(CC[*:1])c2n1)C(F)F
CO[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 Clc1ccc(cc1)[*:1] CO[C@H](C)C(=O)Nc1sc2CCCc2c1C(=O)[*:1]
CO[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 CO[C@H](C)C(=O)N[*:1] O=C(c1ccc(Cl)cc1)c1c(sc2CCCc21)[*:1]
O=S(=O)(CCCF)/N=C(\[O-])c1ccc(Cl)o1 FCCC[*:1] O=S(=O)(/N=C(\[O-])c1ccc(Cl)o1)[*:1]
O=S(=O)(CCCF)/N=C(\[O-])c1ccc(Cl)o1 FCC[*:1] O=S(=O)(C[*:1])/N=C(\[O-])c1ccc(Cl)o1
CCOC(=O)c1ccc(CNc2cc(Br)ccc2OC)o1 CCOC(=O)[*:1] COc1ccc(Br)cc1NCc1ccc(o1)[*:1]
Cc1cccc(SCc2cc(=O)n3cc(Cl)ccc3n2)c1 Cc1cccc(c1)[*:1] O=c1cc(CS[*:1])nc2ccc(Cl)cn12
C1=C[C@@H](c2ccc(CN3CC[C@H](c4ccnc(-c5ccncc5)c4)C3)o2)N=N1 c1cc(ccn1)[*:1] C1=C[C@H](N=N1)c1ccc(CN2CC[C@@H](C2)c2ccnc(c2)[*:1])o1
CSC[C@H](C)N(C)C(=O)c1cn(-c2ccc(Cl)cc2)nc1C CSC[*:1] Cc1nn(cc1C(=O)N(C)[C@@H](C)[*:1])-c1ccc(Cl)cc1
CSC[C@H](C)N(C)C(=O)c1cn(-c2ccc(Cl)cc2)nc1C Clc1ccc(cc1)[*:1] CSC[C@H](C)N(C)C(=O)c1cn(nc1C)[*:1]
C#CCCO[C@H]1CC[C@@H]([NH3+])C1 C#CC[*:1] [NH3+][C@@H]1CC[C@@H](C1)OC[*:1]
CC[C@H](CNC(=O)[C@H]1CSc2ccccc21)C(=O)[O-] CC[C@H](C(=O)[O-])[*:1] O=C(NC[*:1])[C@H]1CSc2ccccc21
CC[C@H](CNC(=O)[C@H]1CSc2ccccc21)C(=O)[O-] O=C([O-])[*:1] CC[C@H](CNC(=O)[C@H]1CSc2ccccc21)[*:1]
O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cc(=O)c2ccccc2o1 Fc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])c1cc(=O)c2ccccc2o1
CC(C)c1nc(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)cs1 CC(C)[*:1] O=C(NCc1csc(n1)[*:1])[C@H]1Cc2cc(F)ccc2O1
COc1ccc(/C=N/NC(=O)C2CCCCC2)cc1OC C1CCC(CC1)[*:1] COc1ccc(/C=N/NC(=O)[*:1])cc1OC
CCN[C@@]1(C#N)CC[C@H](Oc2ccc3c(c2)OCO3)C1 CCN[*:1] N#C[C@]1(CC[C@@H](C1)Oc1ccc2OCOc2c1)[*:1]
CC[C@@H]([NH2+]Cc1ccc(C(=O)NC)cc1)c1ccc2c(c1)OCCO2 CNC(=O)[*:1] CC[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc2OCCOc2c1
COCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 Clc1ccc(cc1)[*:1] COCC(=O)N1CCC2(CC1)CC(=O)N(C2)C[*:1]
COCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 Clc1ccc(cc1)C[*:1] COCC(=O)N1CCC2(CC1)CC(=O)N(C2)[*:1]
COCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 COC[*:1] O=C1CC2(CCN(CC2)C(=O)[*:1])CN1Cc1ccc(Cl)cc1
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(Cc1c[nH]c2ccccc12)NNC(=O)N[*:1]
O=[N+]([O-])c1cc2c(cc1CO)OCO2 O=[N+]([O-])[*:1] OCc1cc2OCOc2cc1[*:1]
O=C(CSc1n[nH]c(N/N=C/c2cccnc2)n1)NC1CCCCC1 c1cncc(c1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])NC1CCCCC1
O=C(CSc1n[nH]c(N/N=C/c2cccnc2)n1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1cccnc1)N[*:1]
C/[NH+]=C(/NC[C@H](C)c1ccsc1)N1CCC[C@H](C)C1 c1cc(cs1)[*:1] C/[NH+]=C(/NC[C@H](C)[*:1])N1CCC[C@H](C)C1
C[C@H](NC(=O)C(=O)Nc1cccnc1Cl)[C@H]1CN(C)CCO1 Clc1ncccc1[*:1] C[C@H](NC(=O)C(=O)N[*:1])[C@H]1CN(C)CCO1
O=C(NCCc1ccccc1F)Nc1ccc(F)c(F)c1F Fc1ccccc1[*:1] O=C(NCC[*:1])Nc1ccc(F)c(F)c1F
O=C(c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 c1coc(c1)-c1ccnc(n1)[*:1] O=C(c1cnn(c1C1CC1)[*:1])N1CC[NH+](CC1)C1C2CC3CC(C2)CC1C3
O=C(c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 c1coc(c1)[*:1] O=C(c1cnn(-c2nccc(n2)[*:1])c1C1CC1)N1CC[NH+](CC1)C1C2CC3CC(C2)CC1C3
O=C(c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 C1CC1[*:1] O=C(c1cnn(-c2nccc(n2)-c2ccco2)c1[*:1])N1CC[NH+](CC1)C1C2CC3CC(C2)CC1C3
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 CCOC(=O)[*:1] COc1cc(cc(Cl)c1O)[C@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
COc1ccc(CCNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)CCNC(=O)c1nn(-c2ccccc2[*:1])c(C)cc1=O
COc1ccc(CCNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 COc1ccc(cc1)CC[*:1] Cc1cc(=O)c(nn1-c1ccccc1[N+](=O)[O-])C(=O)N[*:1]
COc1ccc(CCNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(cc1)CCNC(=O)c1nn(c(C)cc1=O)[*:1]
COc1ccc(CCNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 COc1ccc(cc1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1[N+](=O)[O-])C(=O)NCC[*:1]
COc1ccc(CCNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 COc1ccc(cc1)C[*:1] Cc1cc(=O)c(nn1-c1ccccc1[N+](=O)[O-])C(=O)NC[*:1]
N#Cc1cc(Cl)ccc1N1CCC(c2nncn2C2CC2)CC1 C1CC1[*:1] N#Cc1cc(Cl)ccc1N1CCC(CC1)c1nncn1[*:1]
O=c1c2ccccc2nc(SCc2cccc(Br)c2)n1-c1cccnc1 c1cncc(c1)[*:1] O=c1c2ccccc2nc(SCc2cccc(Br)c2)n1[*:1]
O=c1c2ccccc2nc(SCc2cccc(Br)c2)n1-c1cccnc1 Brc1cccc(c1)[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1cccnc1
O=c1c2ccccc2nc(SCc2cccc(Br)c2)n1-c1cccnc1 Brc1cccc(c1)C[*:1] O=c1c2ccccc2nc(S[*:1])n1-c1cccnc1
Cc1ccc(CN(C)C(=O)Cn2nc(C)c3ccccc3c2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nn(CC(=O)N(C)C[*:1])c(=O)c2ccccc12
C=CCN(CCO)C(=O)Nc1cc(-c2ncco2)ccc1C C=CC[*:1] Cc1ccc(cc1NC(=O)N(CCO)[*:1])-c1ncco1
C=CCN(CCO)C(=O)Nc1cc(-c2ncco2)ccc1C OCC[*:1] C=CCN(C(=O)Nc1cc(ccc1C)-c1ncco1)[*:1]
C=CCN(CCO)C(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] C=CCN(CCO)C(=O)Nc1cc(ccc1C)[*:1]
CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1cnn(C)c1 CNC(=O)[*:1] Cc1ccccc1N(C[*:1])S(=O)(=O)c1cnn(C)c1
CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1cnn(C)c1 CNC(=O)C[*:1] Cc1ccccc1N(S(=O)(=O)c1cnn(C)c1)[*:1]
CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1cnn(C)c1 Cc1ccccc1[*:1] CNC(=O)CN(S(=O)(=O)c1cnn(C)c1)[*:1]
CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] CNC(=O)CN(c1ccccc1C)S(=O)(=O)[*:1]
Cc1nc(C)c(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)o1 CC(C)(C)[*:1] Cc1nc(C)c(o1)C(=O)N1CSC[C@@H]1C(=O)N[*:1]
Cc1nc(C)c(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)o1 CC(C)(C)NC(=O)[*:1] Cc1nc(C)c(o1)C(=O)N1CSC[C@H]1[*:1]
Cc1nc(C)c(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)o1 Cc1nc(C)c(o1)[*:1] CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[*:1]
Cn1ccnc1COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 Cn1ccnc1[*:1] O=C(OC[*:1])[C@@H](Oc1ccc(Cl)cc1)c1ccccc1
Cn1ccnc1COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 Cn1ccnc1C[*:1] O=C(O[*:1])[C@@H](Oc1ccc(Cl)cc1)c1ccccc1
Cn1ccnc1COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] Cn1ccnc1COC(=O)[C@@H](O[*:1])c1ccccc1
Cn1ccnc1COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)O[*:1] Cn1ccnc1COC(=O)[C@@H](c1ccccc1)[*:1]
Cn1ccnc1COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1COC(=O)[C@@H](Oc1ccc(Cl)cc1)[*:1]
COC[C@@H]1CCCN1C(=O)c1nc(C2CC2)n2ccccc12 COC[*:1] O=C(c1nc(C2CC2)n2ccccc12)N1CCC[C@H]1[*:1]
COC[C@@H]1CCCN1C(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] COC[C@@H]1CCCN1C(=O)c1nc(n2ccccc12)[*:1]
Cc1cc(Nc2ncccc2C)nc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)n1 C1CC(CCO1)[*:1] Cc1cc(nc(n1)[C@@H]1CCCN(C1)C(=O)[*:1])Nc1ncccc1C
Cc1cc(Nc2ncccc2C)nc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)n1 Cc1cccnc1N[*:1] Cc1cc(nc(n1)[C@@H]1CCCN(C1)C(=O)C1CCOCC1)[*:1]
Cc1cc(Nc2ncccc2C)nc([C@@H]2CCCN(C(=O)C3CCOCC3)C2)n1 Cc1cccnc1[*:1] Cc1cc(nc(n1)[C@@H]1CCCN(C1)C(=O)C1CCOCC1)N[*:1]
Cc1cccc(-n2c([O-])nc3nc(N4CCCC4)ncc3c2=O)c1C Cc1cccc(c1C)[*:1] O=c1c2cnc(nc2nc([O-])n1[*:1])N1CCCC1
Cc1cccc(-n2c([O-])nc3nc(N4CCCC4)ncc3c2=O)c1C C1CCN(C1)[*:1] Cc1cccc(c1C)-n1c([O-])nc2nc(ncc2c1=O)[*:1]
O=C(Cn1c(=O)oc2ccccc21)NCC1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(Cn1c(=O)oc2ccccc21)NCC1CC[NH+](CC1)[*:1]
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)n[nH]1 Clc1ccccc1[*:1] O=C(N/N=C/c1cccc(c1)[N+](=O)[O-])c1cc(n[nH]1)[*:1]
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)n[nH]1 O=[N+]([O-])[*:1] O=C(N/N=C/c1cccc(c1)[*:1])c1cc(n[nH]1)-c1ccccc1Cl
CC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccc2nccnc2c1 CS(=O)(=O)N[*:1] CC(=O)N1N=C(C[C@H]1c1ccc2nccnc2c1)c1ccc(cc1)[*:1]
CC[C@H](NS(=O)(=O)c1cccc2nonc12)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[C@H](NS(=O)(=O)c1cccc2nonc12)[*:1]
FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2/C[C@H]3C=CC[C@H]23)c1 FC(F)(F)[*:1] S=C(N/N=C1/C[C@H]2C=CC[C@H]12)Nc1cc(ccc1Cl)[*:1]
CCc1nn(C)cc1CNC(=O)Cn1cc(-c2ccccc2)nn1 CCc1nn(C)cc1[*:1] O=C(Cn1cc(nn1)-c1ccccc1)NC[*:1]
CCc1nn(C)cc1CNC(=O)Cn1cc(-c2ccccc2)nn1 c1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)Cn1cc(nn1)[*:1]
CC(C)(C)OC(=O)N1CC(=CC(=O)NC2CC=CC2)C1 CC(C)(C)[*:1] O=C(C=C1CN(C1)C(=O)O[*:1])NC1CC=CC1
O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H](c1ccccc1)[*:1]
O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H](C(=O)[O-])[*:1]
COc1cccc(C(=O)N2CCN(C(=O)Cn3nnnc3C[NH+]3CCCC3)CC2)c1 COc1cccc(c1)[*:1] O=C(Cn1nnnc1C[NH+]1CCCC1)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@@H]1CN(c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C O=[N+]([O-])[*:1] COC(=O)[C@@H]1CN(C[C@@H]1C)c1ccc(C)c(c1)[*:1]
COC(=O)[C@@H]1CN(c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C COC(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])N1C[C@H]([C@@H](C)C1)[*:1]
Cc1cc2c(c(=O)o1)C(c1ccncc1)c1c(cc(C)oc1=O)O2 c1cc(ccn1)[*:1] Cc1cc2Oc3cc(C)oc(=O)c3C(c2c(=O)o1)[*:1]
Cn1cc([C@@]2(C)NC(=O)N(CCOc3ccc(F)cc3Cl)C2=O)cn1 Cn1cc(cn1)[*:1] C[C@]1(NC(=O)N(CCOc2ccc(F)cc2Cl)C1=O)[*:1]
Cn1cc([C@@]2(C)NC(=O)N(CCOc3ccc(F)cc3Cl)C2=O)cn1 Fc1ccc(c(Cl)c1)[*:1] Cn1cc(cn1)[C@@]1(C)NC(=O)N(CCO[*:1])C1=O
C[C@H](CCC[NH3+])NC(=O)c1cccc(F)c1F [NH3+]CC[*:1] C[C@H](C[*:1])NC(=O)c1cccc(F)c1F
O=c1[nH]cnc2cc(NCCOc3ccc(Cl)cc3)c([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=c1[nH]cnc2cc(NCCOc3ccc(Cl)cc3)c(cc12)[*:1]
O=c1[nH]cnc2cc(NCCOc3ccc(Cl)cc3)c([N+](=O)[O-])cc12 Clc1ccc(cc1)O[*:1] O=c1[nH]cnc2cc(NCC[*:1])c(cc12)[N+](=O)[O-]
O=c1[nH]cnc2cc(NCCOc3ccc(Cl)cc3)c([N+](=O)[O-])cc12 Clc1ccc(cc1)[*:1] O=c1[nH]cnc2cc(NCCO[*:1])c(cc12)[N+](=O)[O-]
C#CCN(CC(=O)[O-])C(=O)N1CC[C@H](C)C[C@H]1C C#CC[*:1] C[C@H]1CCN(C(=O)N(CC(=O)[O-])[*:1])[C@H](C)C1
C#CCN(CC(=O)[O-])C(=O)N1CC[C@H](C)C[C@H]1C O=C([O-])[*:1] C#CCN(C[*:1])C(=O)N1CC[C@H](C)C[C@H]1C
C#CCN(CC(=O)[O-])C(=O)N1CC[C@H](C)C[C@H]1C O=C([O-])C[*:1] C#CCN(C(=O)N1CC[C@H](C)C[C@H]1C)[*:1]
Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1 Brc1cccc(c1)[*:1] Cc1ccc(O)c(c1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1 Cc1ccc(O)c(c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc(Br)c1)[*:1]
O=Cc1cnc2ccccc2c1-c1ccccc1 c1ccc(cc1)[*:1] O=Cc1cnc2ccccc2c1[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(C(C)C)n1 CC[S@@](=O)[*:1] CC(C)c1nc(cs1)C[NH2+][C@H]1CCCC[C@@H]1[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(C(C)C)n1 CC(C)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(n1)[*:1]
Cc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)[C@H]3C=C(c4ccncc4)N=N3)C2)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)[C@H]1C=C(N=N1)c1ccncc1
Cc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)[C@H]3C=C(c4ccncc4)N=N3)C2)c1 c1cc(ccn1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H]1CCCN(C1)C(=O)[C@H]1C=C(N=N1)[*:1]
COc1ccc(-c2cc3c4ccccc4oc4nc(N)c(C#N)c(n2)c43)cc1 COc1ccc(cc1)[*:1] N#Cc1c(N)nc2oc3ccccc3c3cc(nc1c23)[*:1]
Cc1nc(Cl)sc1C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1nc(Cl)sc1C(=O)N1CCC(CC1)OC[*:1]
Cc1nc(Cl)sc1C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] Cc1nc(Cl)sc1C(=O)N1CCC(CC1)O[*:1]
Cc1nc(Cl)sc1C(=O)N1CCC(OCc2ccccc2F)CC1 Cc1nc(Cl)sc1[*:1] O=C(N1CCC(CC1)OCc1ccccc1F)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]n1 CC[S@@](=O)[*:1] c1cc(C[NH2+][C@H]2CCCC[C@H]2[*:1])n[nH]1
CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]n1 c1cc(n[nH]1)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]C[*:1]
CC(C)CS(=O)(=O)[N-]c1cccc(Cn2nc3ccccn3c2=O)c1 CC(C)C[*:1] O=c1n(Cc2cccc(c2)[N-]S(=O)(=O)[*:1])nc2ccccn12
CC(C)CS(=O)(=O)[N-]c1cccc(Cn2nc3ccccn3c2=O)c1 CC(C)[*:1] O=c1n(Cc2cccc(c2)[N-]S(=O)(=O)C[*:1])nc2ccccn12
C[C@H](c1ccccc1)N(C)C(=O)CN(C#N)c1ccc(F)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)CN(C#N)c1ccc(F)c(c1)[N+](=O)[O-])[*:1]
C[C@H](c1ccccc1)N(C)C(=O)CN(C#N)c1ccc(F)c([N+](=O)[O-])c1 C[C@H](c1ccccc1)[*:1] CN(C(=O)CN(C#N)c1ccc(F)c(c1)[N+](=O)[O-])[*:1]
C[C@H](c1ccccc1)N(C)C(=O)CN(C#N)c1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](c1ccccc1)N(C)C(=O)CN(C#N)c1ccc(F)c(c1)[*:1]
C[C@H](C(=O)[O-])N(C)C(=O)c1cc(C(F)(F)F)ccc1F O=C([O-])[*:1] C[C@H](N(C)C(=O)c1cc(ccc1F)C(F)(F)F)[*:1]
C[C@H](C(=O)[O-])N(C)C(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] C[C@H](C(=O)[O-])N(C)C(=O)c1cc(ccc1F)[*:1]
O=C(CSC1CCCC1)Nc1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(CSC1CCCC1)Nc1cc(nn1[*:1])C1CC1
O=C(CSC1CCCC1)Nc1cc(C2CC2)nn1-c1ccccc1 C1CCC(C1)[*:1] O=C(CS[*:1])Nc1cc(nn1-c1ccccc1)C1CC1
O=C(CSC1CCCC1)Nc1cc(C2CC2)nn1-c1ccccc1 C1CCC(C1)SC[*:1] O=C(Nc1cc(nn1-c1ccccc1)C1CC1)[*:1]
O=C(CSC1CCCC1)Nc1cc(C2CC2)nn1-c1ccccc1 C1CCC(C1)S[*:1] O=C(C[*:1])Nc1cc(nn1-c1ccccc1)C1CC1
O=C(CSC1CCCC1)Nc1cc(C2CC2)nn1-c1ccccc1 C1CC1[*:1] O=C(CSC1CCCC1)Nc1cc(nn1-c1ccccc1)[*:1]
C=CCc1ccccc1OC(=O)Cc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] C=CCc1ccccc1OC(=O)Cc1ccc(cc1)[*:1]
C=CCc1ccccc1OC(=O)Cc1ccc(-n2cnnn2)cc1 C=CC[*:1] O=C(Cc1ccc(cc1)-n1cnnn1)Oc1ccccc1[*:1]
CC(C)(C)C(=O)Nc1nc(CC(=O)NN2Cc3ccccc3C2)cs1 CC(C)(C)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])NN1Cc2ccccc2C1
CC(C)(C)C(=O)Nc1nc(CC(=O)NN2Cc3ccccc3C2)cs1 CC(C)(C)C(=O)N[*:1] O=C(Cc1csc(n1)[*:1])NN1Cc2ccccc2C1
COc1ccc(NC(=O)CCCc2cccs2)cc1S(N)(=O)=O c1csc(c1)[*:1] COc1ccc(cc1S(N)(=O)=O)NC(=O)CCC[*:1]
COc1ccc(NC(=O)CCCc2cccs2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])NC(=O)CCCc1cccs1
COc1ccc(NC(=O)CCCc2cccs2)cc1S(N)(=O)=O c1csc(c1)CC[*:1] COc1ccc(cc1S(N)(=O)=O)NC(=O)C[*:1]
COc1ccc(NC(=O)CCCc2cccs2)cc1S(N)(=O)=O c1csc(c1)C[*:1] COc1ccc(cc1S(N)(=O)=O)NC(=O)CC[*:1]
COc1ccccc1[C@@H](CNc1nnnn1-c1ccccc1)[NH+]1CCCC1 COc1ccccc1[*:1] c1ccc(cc1)-n1nnnc1NC[C@@H]([NH+]1CCCC1)[*:1]
COc1ccccc1[C@@H](CNc1nnnn1-c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] COc1ccccc1[C@@H](CNc1nnnn1[*:1])[NH+]1CCCC1
Cc1noc(C)c1CCCNC(=O)N(CCO)[C@@H]1CCCc2ccccc21 Cc1noc(C)c1CC[*:1] O=C(NC[*:1])N(CCO)[C@@H]1CCCc2ccccc21
Cc1noc(C)c1CCCNC(=O)N(CCO)[C@@H]1CCCc2ccccc21 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])N(CCO)[C@@H]1CCCc2ccccc21
Cc1noc(C)c1CCCNC(=O)N(CCO)[C@@H]1CCCc2ccccc21 Cc1noc(C)c1C[*:1] O=C(NCC[*:1])N(CCO)[C@@H]1CCCc2ccccc21
Cc1noc(C)c1CCCNC(=O)N(CCO)[C@@H]1CCCc2ccccc21 OCC[*:1] Cc1noc(C)c1CCCNC(=O)N([C@@H]1CCCc2ccccc21)[*:1]
CCc1ccc([C@@H](CO)NC(=O)NCC(C)(C)c2ccncc2)cc1 CCc1ccc(cc1)[*:1] CC(C)(CNC(=O)N[C@H](CO)[*:1])c1ccncc1
CCc1ccc([C@@H](CO)NC(=O)NCC(C)(C)c2ccncc2)cc1 c1cc(ccn1)[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)NCC(C)(C)[*:1]
C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(C2CC2)N1Cc1ccccc1 C1CC1[*:1] C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(N1Cc1ccccc1)[*:1]
C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(C2CC2)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(C2CC2)N1[*:1]
C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(C2CC2)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(C2CC2)N1C[*:1]
CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)C3CC3)c2n1 CCS[*:1] O=C(NCCn1ncc2c(nc(nc21)[*:1])N1CCOCC1)C1CC1
CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)C3CC3)c2n1 O=C(NC[*:1])C1CC1 CCSc1nc(c2cnn(C[*:1])c2n1)N1CCOCC1
CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)C3CC3)c2n1 O=C(NCC[*:1])C1CC1 CCSc1nc(c2cnn(c2n1)[*:1])N1CCOCC1
CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)C3CC3)c2n1 C1CN(CCO1)[*:1] CCSc1nc(c2cnn(CCNC(=O)C3CC3)c2n1)[*:1]
CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)C3CC3)c2n1 O=C(N[*:1])C1CC1 CCSc1nc(c2cnn(CC[*:1])c2n1)N1CCOCC1
CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)C3CC3)c2n1 C1CC1[*:1] CCSc1nc(c2cnn(CCNC(=O)[*:1])c2n1)N1CCOCC1
Nc1nc(Cl)cc(NCc2nc(-c3ccc(F)cc3)c[nH]2)n1 Fc1ccc(cc1)[*:1] Nc1nc(Cl)cc(n1)NCc1nc(c[nH]1)[*:1]
COC1=C(c2ccc(C(C)(C)C)cc2)C(=O)NC1=O CC(C)(C)[*:1] COC1C(=O)NC(=O)C=1c1ccc(cc1)[*:1]
CCc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)cc1 Fc1ccccc1C[*:1] CCc1ccc(cc1)NC(=O)Cn1ccc2ccn(c2c1=O)[*:1]
CCc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)cc1 Fc1ccccc1[*:1] CCc1ccc(cc1)NC(=O)Cn1ccc2ccn(C[*:1])c2c1=O
CCc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)cc1 CCc1ccc(cc1)[*:1] O=C(Cn1ccc2ccn(Cc3ccccc3F)c2c1=O)N[*:1]
COC(=O)c1ncoc1-c1ccccc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COC(=O)c1ncoc1-c1ccccc1C(=O)NC[*:1]
COC(=O)c1ncoc1-c1ccccc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] COC(=O)c1ncoc1-c1ccccc1C(=O)N[*:1]
COC(=O)c1ncoc1-c1ccccc1C(=O)NC[C@H]1CCCO1 COC(=O)[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1-c1ocnc1[*:1]
CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C(C)C)on2)C12CCCC2 CCO[*:1] CC(C)c1cc(no1)NC(=O)C(=O)N[C@@H]1C[C@@H](C12CCCC2)[*:1]
CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C(C)C)on2)C12CCCC2 CC(C)[*:1] CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(on2)[*:1])C12CCCC2
CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(C(C)C)on2)C12CCCC2 CC(C)c1cc(no1)[*:1] CCO[C@H]1C[C@@H](NC(=O)C(=O)N[*:1])C12CCCC2
CC(C)c1nnc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)s1 CC(C)[*:1] C[C@]12CCC(=O)N1[C@@H](CS2)C(=O)Nc1nnc(s1)[*:1]
CCCCn1c(SCCn2c(=O)oc3cccnc32)n[nH]c1=O CCC[*:1] O=c1[nH]nc(SCCn2c(=O)oc3cccnc32)n1C[*:1]
CCCCn1c(SCCn2c(=O)oc3cccnc32)n[nH]c1=O CCCC[*:1] O=c1[nH]nc(SCCn2c(=O)oc3cccnc32)n1[*:1]
CC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(F)c(F)c1F CC(=O)C[*:1] O=C(c1ccc(F)c(F)c1F)N1CCCC[C@H]1[*:1]
CC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(F)c(F)c1F CC(=O)[*:1] O=C(c1ccc(F)c(F)c1F)N1CCCC[C@H]1C[*:1]
C[C@H]1CCC[C@](Cc2cn3ccccc3[nH+]2)(C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CCC[C@](Cc2cn3ccccc3[nH+]2)(C1)[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 Cc1noc(C)c1[*:1] O=C1CN(CCN1)c1ccc(cn1)NC(=O)c1ccccc1OC[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 O=C1CN(CCN1)[*:1] Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(nc1)[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 Cc1noc(C)c1C[*:1] O=C1CN(CCN1)c1ccc(cn1)NC(=O)c1ccccc1O[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 Cc1noc(C)c1CO[*:1] O=C1CN(CCN1)c1ccc(cn1)NC(=O)c1ccccc1[*:1]
Cc1ccsc1CNC(=O)NCc1ccc(NC(=O)NC(C)C)cc1 CC(C)[*:1] Cc1ccsc1CNC(=O)NCc1ccc(cc1)NC(=O)N[*:1]
Cc1ccsc1CNC(=O)NCc1ccc(NC(=O)NC(C)C)cc1 CC(C)NC(=O)N[*:1] Cc1ccsc1CNC(=O)NCc1ccc(cc1)[*:1]
Cc1ccsc1CNC(=O)NCc1ccc(NC(=O)NC(C)C)cc1 Cc1ccsc1C[*:1] CC(C)NC(=O)Nc1ccc(cc1)CNC(=O)N[*:1]
Cc1ccsc1CNC(=O)NCc1ccc(NC(=O)NC(C)C)cc1 Cc1ccsc1[*:1] CC(C)NC(=O)Nc1ccc(cc1)CNC(=O)NC[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] Cc1ccccc1[C@H](C#N)NC(=O)c1ccc(cc1)C[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)c1ccc(CN2CCCC2=O)cc1 Cc1ccccc1[*:1] N#C[C@H](NC(=O)c1ccc(cc1)CN1CCCC1=O)[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] Cc1ccccc1[C@H](C#N)NC(=O)c1ccc(cc1)[*:1]
O=C(CSc1nnc2c3ccccc3nc(Cc3ccccc3)n12)N1CCCC1 O=C(C[*:1])N1CCCC1 c1ccc(cc1)Cc1nc2ccccc2c2nnc(S[*:1])n12
O=C(CSc1nnc2c3ccccc3nc(Cc3ccccc3)n12)N1CCCC1 c1ccc(cc1)C[*:1] O=C(CSc1nnc2c3ccccc3nc(n12)[*:1])N1CCCC1
O=C(CSc1nnc2c3ccccc3nc(Cc3ccccc3)n12)N1CCCC1 c1ccc(cc1)[*:1] O=C(CSc1nnc2c3ccccc3nc(C[*:1])n12)N1CCCC1
O=C(CSc1nnc2c3ccccc3nc(Cc3ccccc3)n12)N1CCCC1 O=C(N1CCCC1)[*:1] c1ccc(cc1)Cc1nc2ccccc2c2nnc(SC[*:1])n12
O=C(CSc1nnc2c3ccccc3nc(Cc3ccccc3)n12)N1CCCC1 O=C(CS[*:1])N1CCCC1 c1ccc(cc1)Cc1nc2ccccc2c2nnc(n12)[*:1]
CO[C@@H](C)c1cccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 CO[C@@H](C)[*:1] O=C(NC1CC1)[C@@H](Nc1cccc(c1)[*:1])c1ccc(F)cc1
CO[C@@H](C)c1cccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 O=C(NC1CC1)[*:1] CO[C@@H](C)c1cccc(c1)N[C@H](c1ccc(F)cc1)[*:1]
CO[C@@H](C)c1cccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CO[C@@H](C)c1cccc(c1)N[C@H](C(=O)NC1CC1)[*:1]
CO[C@@H](C)c1cccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 C1CC1[*:1] CO[C@@H](C)c1cccc(c1)N[C@H](C(=O)N[*:1])c1ccc(F)cc1
Cc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1 Cc1ccc(cc1)CC[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)NCC[*:1]
Cc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1 Cc1ccc(cc1)C[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CCN(C(=O)c1cn(C(C)(C)C)c2ncccc12)c1ccccc1 CC(C)(C)[*:1] CCN(C(=O)c1cn(c2ncccc12)[*:1])c1ccccc1
CCN(C(=O)c1cn(C(C)(C)C)c2ncccc12)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1cn(c2ncccc12)C(C)(C)C)[*:1]
CCn1c(C(=O)NC[C@H]2CCCO2)c(N2CCCC2=O)c2cc(C)ccc21 O=C1CCCN1[*:1] CCn1c(C(=O)NC[C@H]2CCCO2)c(c2cc(C)ccc21)[*:1]
CCn1c(C(=O)NC[C@H]2CCCO2)c(N2CCCC2=O)c2cc(C)ccc21 C1CO[C@H](C1)[*:1] CCn1c(C(=O)NC[*:1])c(c2cc(C)ccc21)N1CCCC1=O
COc1ccccc1OCCC(=O)N1CCN(CCO)CC1 OCC[*:1] COc1ccccc1OCCC(=O)N1CCN(CC1)[*:1]
CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1)[*:1]
CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 c1cc2CCCCc2cc1[*:1] CC(=O)Nc1cccc(c1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 CC(=O)N[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1
CCC[NH2+][C@H](COCC)c1nccc2ccccc12 CCO[*:1] CCC[NH2+][C@H](C[*:1])c1nccc2ccccc12
CCC[NH2+][C@H](COCC)c1nccc2ccccc12 CCC[*:1] CCOC[C@@H]([NH2+][*:1])c1nccc2ccccc12
CCC[NH2+][C@H](COCC)c1nccc2ccccc12 CCOC[*:1] CCC[NH2+][C@H](c1nccc2ccccc12)[*:1]
Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1F FC(F)(F)Oc1ccc(cc1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)N(C)CC(=O)N[*:1]
Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1F Fc1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)N(C)CC(=O)Nc1ccc(cc1)OC(F)(F)F
Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1F FC(F)(F)[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)N(C)CC(=O)Nc1ccc(cc1)O[*:1]
Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1F FC(F)(F)O[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)N(C)CC(=O)Nc1ccc(cc1)[*:1]
O=C(Cn1cc(Br)cn1)N1CCC(Cc2ccccc2)CC1 Brc1cnn(c1)C[*:1] O=C(N1CCC(CC1)Cc1ccccc1)[*:1]
O=C(Cn1cc(Br)cn1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1cc(Br)cn1)N1CCC(CC1)C[*:1]
O=C(Cn1cc(Br)cn1)N1CCC(Cc2ccccc2)CC1 Brc1cnn(c1)[*:1] O=C(C[*:1])N1CCC(CC1)Cc1ccccc1
O=C(Cn1cc(Br)cn1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Cn1cc(Br)cn1)N1CCC(CC1)[*:1]
N#CCNC(=O)CCS(=O)(=O)Cc1ccccc1 N#CCNC(=O)[*:1] O=S(=O)(CC[*:1])Cc1ccccc1
N#CCNC(=O)CCS(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] N#CCNC(=O)CCS(=O)(=O)C[*:1]
N#CCNC(=O)CCS(=O)(=O)Cc1ccccc1 N#CC[*:1] O=C(CCS(=O)(=O)Cc1ccccc1)N[*:1]
Cc1ccc(/C=C/C(=O)NCc2ccccc2F)cc1Cl Fc1ccccc1[*:1] Cc1ccc(/C=C/C(=O)NC[*:1])cc1Cl
Nc1nc2cccnc2n1CC1CC1 C1CC1[*:1] Nc1nc2cccnc2n1C[*:1]
Nc1nc2cccnc2n1CC1CC1 C1CC1C[*:1] Nc1nc2cccnc2n1[*:1]
COc1ccc(CCN2C(=O)N[C@](C)(C3CCN(C(=O)Cc4cccc(F)c4F)CC3)C2=O)cc1 COc1ccc(cc1)CC[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])C1CCN(CC1)C(=O)Cc1cccc(F)c1F
COc1ccc(CCN2C(=O)N[C@](C)(C3CCN(C(=O)Cc4cccc(F)c4F)CC3)C2=O)cc1 Fc1cccc(C[*:1])c1F COc1ccc(cc1)CCN1C(=O)N[C@@](C)(C1=O)C1CCN(CC1)C(=O)[*:1]
COc1ccc(CCN2C(=O)N[C@](C)(C3CCN(C(=O)Cc4cccc(F)c4F)CC3)C2=O)cc1 COc1ccc(cc1)C[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)C1CCN(CC1)C(=O)Cc1cccc(F)c1F
COc1ccc(CCN2C(=O)N[C@](C)(C3CCN(C(=O)Cc4cccc(F)c4F)CC3)C2=O)cc1 Fc1cccc(c1F)[*:1] COc1ccc(cc1)CCN1C(=O)N[C@@](C)(C1=O)C1CCN(CC1)C(=O)C[*:1]
COc1ccc(CCN2C(=O)N[C@](C)(C3CCN(C(=O)Cc4cccc(F)c4F)CC3)C2=O)cc1 COc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC[*:1])C1=O)C1CCN(CC1)C(=O)Cc1cccc(F)c1F
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1)c1ccc2c(c1)OCO2 c1coc(c1)[*:1] O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1[*:1])c1ccc2OCOc2c1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1)c1ccc2c(c1)OCO2 C1CN(CCO1)CC[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccco1)[*:1])c1ccc2OCOc2c1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1)c1ccc2c(c1)OCO2 C1CN(CCO1)[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccco1)c1ccc2OCOc2c1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccco2)N1CCN1CCOCC1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1)c1ccc2c(c1)OCO2 C1CN(CCO1)C[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccco1)c1ccc2OCOc2c1
Cn1cc(Cl)cc1C(=O)N1CCC[C@H](N2CCNC2=O)C1 O=C1NCCN1[*:1] Cn1cc(Cl)cc1C(=O)N1CCC[C@H](C1)[*:1]
Cn1cc(Cl)cc1C(=O)N1CCC[C@H](N2CCNC2=O)C1 Cn1cc(Cl)cc1[*:1] O=C1NCCN1[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(-c2nn(CNc3ccc(I)cc3)c(=S)o2)cc1 Ic1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(CN[*:1])c(=S)o1
CCCSc1cnn(CCS(=O)(=O)CC)c1N CCS(=O)(=O)[*:1] CCCSc1cnn(CC[*:1])c1N
CCCSc1cnn(CCS(=O)(=O)CC)c1N CCC[*:1] CCS(=O)(=O)CCn1ncc(S[*:1])c1N
CCCSc1cnn(CCS(=O)(=O)CC)c1N CCCS[*:1] CCS(=O)(=O)CCn1ncc(c1N)[*:1]
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)n2ncnc2N1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@H]1CC(=O)n2ncnc2N1
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)n2ncnc2N1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)n2ncnc2N1
CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3C)CC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 Cc1ccc(c(C)c1)[*:1] CCOC(=O)C1=C(CN2CCN(CC2)[*:1])NC(=O)N[C@@H]1c1ccc(F)c(F)c1
CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3C)CC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCOC(=O)C1=C(CN2CCN(CC2)c2ccc(C)cc2C)NC(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3C)CC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 CCOC(=O)[*:1] Cc1ccc(c(C)c1)N1CCN(CC1)CC1NC(=O)N[C@@H](C=1[*:1])c1ccc(F)c(F)c1
O=C(CS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)N1CCN(c2cccc[nH+]2)CC1 C1CC1[*:1] O=C(CS[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(C)c1ncc(CN2CCO[C@H](C(=O)Nc3ccccc3)C2)cn1 c1ccc(cc1)[*:1] CC(C)c1ncc(cn1)CN1CCO[C@@H](C1)C(=O)N[*:1]
CC(C)c1ncc(CN2CCO[C@H](C(=O)Nc3ccccc3)C2)cn1 CC(C)[*:1] O=C(Nc1ccccc1)[C@@H]1CN(CCO1)Cc1cnc(nc1)[*:1]
CC(=O)Nc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(COC(=O)c1c2CCCc2nc2ccccc12)N[*:1]
CC(=O)Nc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1 CC(=O)N[*:1] O=C(COC(=O)c1c2CCCc2nc2ccccc12)Nc1ccc(cc1)[*:1]
COC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)Sc1nc(c(o1)-c1ccccc1)[*:1]
COC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 COC(=O)[*:1] C[C@H](Sc1nc(-c2ccccc2)c(o1)-c1ccccc1)[*:1]
COC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(o1)[*:1]
COC(=O)C1=C(C)C(C(=O)[C@H](C)N2c3ccccc3C[C@@H]2C)=N[C@@H]1C COC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)[C@H](C)N1c2ccccc2C[C@@H]1C
C[C@H]1CCC[C@H](C)C1NC(=O)NCC[S@@](=O)C(C)(C)C CC(C)(C)[S@](=O)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)NCC[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)NCC[S@@](=O)C(C)(C)C CC(C)(C)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)NCC[S@@](=O)[*:1]
Cn1c(CNC(=O)C(=O)Nc2cccc(C#N)c2)nc2ccccc21 N#Cc1cccc(c1)[*:1] Cn1c(CNC(=O)C(=O)N[*:1])nc2ccccc21
C[C@@H](CNC(=O)N[C@@H]1CCCSC1)c1cccs1 c1csc(c1)[*:1] C[C@@H](CNC(=O)N[C@@H]1CCCSC1)[*:1]
C[C@@H](CNC(=O)N[C@@H]1CCCSC1)c1cccs1 C1CSC[C@@H](C1)[*:1] C[C@@H](CNC(=O)N[*:1])c1cccs1
O=C(NCc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1nc(no1)-c1ccc(Cl)cc1
O=C(NCc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1nc(no1)-c1ccc(Cl)cc1
O=C(NCc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] O=C(NCc1ccccc1)c1nc(no1)[*:1]
Cc1cccc(OCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 Cc1cccc(c1)[*:1] Clc1ccc(-c2nnc(CO[*:1])o2)c(Cl)c1
O=C1C[C@H](Cc2ccc(NC(=O)N[C@@H]3CCc4ccccc43)cc2)C(=O)N1 O=C1C[C@H](C[*:1])C(=O)N1 O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CCc2ccccc21
O=C1C[C@H](Cc2ccc(NC(=O)N[C@@H]3CCc4ccccc43)cc2)C(=O)N1 c1ccc2c(c1)CC[C@H]2[*:1] O=C1C[C@H](Cc2ccc(cc2)NC(=O)N[*:1])C(=O)N1
CCCC(=O)Nc1cccc(NC(=O)N(C)[C@H](C)c2ccccc2OC)c1C COc1ccccc1[*:1] CCCC(=O)Nc1cccc(NC(=O)N(C)[C@H](C)[*:1])c1C
CCCC(=O)Nc1cccc(NC(=O)N(C)[C@H](C)c2ccccc2OC)c1C CCC[*:1] COc1ccccc1[C@@H](C)N(C)C(=O)Nc1cccc(NC(=O)[*:1])c1C
CCCC(=O)Nc1cccc(NC(=O)N(C)[C@H](C)c2ccccc2OC)c1C CCCC(=O)N[*:1] COc1ccccc1[C@@H](C)N(C)C(=O)Nc1cccc(c1C)[*:1]
O=C(Nc1cccc(C#CCCO)c1)N[C@@H]1CCOC1 OCC[*:1] O=C(Nc1cccc(C#C[*:1])c1)N[C@@H]1CCOC1
O=C(Nc1cccc(C#CCCO)c1)N[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C(Nc1cccc(C#CCCO)c1)N[*:1]
O=C(Nc1cccc(C#CCCO)c1)N[C@@H]1CCOC1 OCCC#C[*:1] O=C(Nc1cccc(c1)[*:1])N[C@@H]1CCOC1
Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1N1CCOCC1 Cc1ccccc1[*:1] C[C@H](Sc1nnc(N2CCOCC2)n1[*:1])C(=O)Nc1cccc2ccccc12
Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1N1CCOCC1 c1ccc2c(cccc2c1)[*:1] Cc1ccccc1-n1c(nnc1N1CCOCC1)S[C@@H](C)C(=O)N[*:1]
Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1cccc2ccccc12
Cc1ccc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)c(F)c1 CC(C)(C)[*:1] Cc1ccc(NC(=O)[C@H](C)NC(=O)[*:1])c(F)c1
CC[C@@H](CO)Nc1nc(CSc2ccccc2)nc2sc(C)c(C)c12 c1ccc(cc1)SC[*:1] CC[C@@H](CO)Nc1nc(nc2sc(C)c(C)c12)[*:1]
CC[C@@H](CO)Nc1nc(CSc2ccccc2)nc2sc(C)c(C)c12 c1ccc(cc1)[*:1] CC[C@@H](CO)Nc1nc(CS[*:1])nc2sc(C)c(C)c12
CC[C@@H](CO)Nc1nc(CSc2ccccc2)nc2sc(C)c(C)c12 c1ccc(cc1)S[*:1] CC[C@@H](CO)Nc1nc(C[*:1])nc2sc(C)c(C)c12
CN(CCC#N)C(=O)CC[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 N#CCC[*:1] CN(C(=O)CC[NH+]1CCC(CC1)c1nc(c[nH]1)C(F)(F)F)[*:1]
CN(CCC#N)C(=O)CC[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 FC(F)(F)[*:1] CN(CCC#N)C(=O)CC[NH+]1CCC(CC1)c1nc(c[nH]1)[*:1]
CN(CCC#N)C(=O)CC[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 CN(CCC#N)C(=O)[*:1] FC(F)(F)c1c[nH]c(n1)C1CC[NH+](CC1)CC[*:1]
CN(CCC#N)C(=O)CC[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 N#CC[*:1] CN(C[*:1])C(=O)CC[NH+]1CCC(CC1)c1nc(c[nH]1)C(F)(F)F
COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(C)C)cc1NC(C)=O c1ccc(cc1)[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)N[C@@H](C(C)C)[*:1]
COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(C)C)cc1NC(C)=O CC(C)[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)N[C@@H](c1ccccc1)[*:1]
COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(C)C)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N[C@@H](c1ccccc1)C(C)C
CSc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccccc2F)cc1F Fc1ccccc1[*:1] CSc1ccc(cc1F)[C@H](C)[NH2+][C@@H](CO)[*:1]
O=[N+]([O-])c1ccc(N2CCOCC2)nc1N1CCOCC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccc(nc1[*:1])N1CCOCC1
O=[N+]([O-])c1ccc(N2CCOCC2)nc1N1CCOCC1 O=[N+]([O-])[*:1] c1cc(c(nc1N1CCOCC1)N1CCOCC1)[*:1]
O=[N+]([O-])c1ccc(N2CCOCC2)nc1N1CCOCC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccc(nc1N1CCOCC1)[*:1]
C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 C[C@H](c1ccccc1)[*:1] C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(cc1)C(=O)N[C@H](C)[*:1]
C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 C[C@H](Oc1ccccc1Cl)[*:1] C[C@@H](NC(=O)c1ccc(cc1)NC(=O)[*:1])c1ccccc1
C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 Clc1ccccc1[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cc1)C(=O)N[C@H](C)c1ccccc1
C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 Clc1ccccc1O[*:1] C[C@H](C(=O)Nc1ccc(cc1)C(=O)N[C@H](C)c1ccccc1)[*:1]
CSCC[C@@H](C)N(C)C(=O)N[C@@H]1CCCn2c(C)nnc21 CSCC[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N(C)[C@H](C)[*:1]
CSCC[C@@H](C)N(C)C(=O)N[C@@H]1CCCn2c(C)nnc21 CSCC[C@@H](C)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N(C)[*:1]
CSCC[C@@H](C)N(C)C(=O)N[C@@H]1CCCn2c(C)nnc21 CSC[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N(C)[C@H](C)C[*:1]
CCC[NH2+][C@H](c1ccoc1)C1(N(C)C)CCCCCC1 CN(C)[*:1] CCC[NH2+][C@H](c1ccoc1)C1(CCCCCC1)[*:1]
CCC[NH2+][C@H](c1ccoc1)C1(N(C)C)CCCCCC1 CCC[*:1] CN(C)C1(CCCCCC1)[C@H]([NH2+][*:1])c1ccoc1
CCC[NH2+][C@H](c1ccoc1)C1(N(C)C)CCCCCC1 c1cc(co1)[*:1] CCC[NH2+][C@H](C1(CCCCCC1)N(C)C)[*:1]
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1 Fc1cccc(F)c1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1ccc2[nH]ncc2c1
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1 CC(C)[*:1] O=C(N[C@H](C(=O)Nc1ccc2[nH]ncc2c1)[*:1])c1c(F)cccc1F
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1 c1cc2[nH]ncc2cc1[*:1] CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[*:1]
COC(=O)C[C@H]1S/C(=C/C(=O)N2CCCCC2)NC1=O COC(=O)C[*:1] O=C1N/C(=C\C(=O)N2CCCCC2)S[C@@H]1[*:1]
COC(=O)C[C@H]1S/C(=C/C(=O)N2CCCCC2)NC1=O COC(=O)[*:1] O=C1N/C(=C\C(=O)N2CCCCC2)S[C@@H]1C[*:1]
COc1ccc([C@]2(Cc3ccc(Cl)cc3Cl)NC(N)=NC2=O)cc1 Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)[C@]1(C[*:1])NC(N)=NC1=O
COc1ccc([C@]2(Cc3ccc(Cl)cc3Cl)NC(N)=NC2=O)cc1 COc1ccc(cc1)[*:1] NC1=NC(=O)[C@](Cc2ccc(Cl)cc2Cl)(N1)[*:1]
COc1ccc2c(c1)C(N1CCN(C(=O)c3ccccc3F)[C@@H](C)C1)=Nc1ccccc1O2 Fc1ccccc1[*:1] COc1ccc2Oc3ccccc3N=C(c2c1)N1CCN(C(=O)[*:1])[C@@H](C)C1
Fc1ccc(C(F)(F)F)cc1C(F)F FC(F)[*:1] Fc1ccc(cc1[*:1])C(F)(F)F
Fc1ccc(C(F)(F)F)cc1C(F)F FC(F)(F)[*:1] Fc1ccc(cc1C(F)F)[*:1]
CCOc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@@H]2c2ccc(OC)c(Cl)c2)cc1 COc1ccc(cc1Cl)[*:1] CCOc1ccc(cc1)NC(=O)[C@H]1Sc2nnc(CC)n2N[C@H]1[*:1]
CCOc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@@H]2c2ccc(OC)c(Cl)c2)cc1 CCOc1ccc(cc1)[*:1] CCc1nnc2S[C@H](C(=O)N[*:1])[C@H](Nn12)c1ccc(OC)c(Cl)c1
CCOc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@@H]2c2ccc(OC)c(Cl)c2)cc1 CCO[*:1] CCc1nnc2S[C@H](C(=O)Nc3ccc(cc3)[*:1])[C@H](Nn12)c1ccc(OC)c(Cl)c1
CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 CC(=O)O[*:1] CC(=O)OC([C@]12C=C[C@H](O1)[C@H]1C(=O)N(C(=O)[C@@H]12)c1ccccc1Cl)[*:1]
CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 Clc1ccccc1[*:1] CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(C(=O)[C@@H]12)[*:1]
CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 CC(=O)OC(OC(C)=O)[*:1] O=C1[C@@H]2[C@@H]3C=C[C@](O3)([C@H]2C(=O)N1c1ccccc1Cl)[*:1]
Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 Cc1nn(C)cc1[*:1] O=C(N1CCC[C@H](C1)c1[nH]c2ccccc2c1-c1ccncc1)[*:1]
Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 c1cc(ccn1)[*:1] Cc1nn(C)cc1C(=O)N1CCC[C@H](C1)c1[nH]c2ccccc2c1[*:1]
Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-n1nnnc1S[C@@H](C)C(=O)Nc1cc(ccc1Cl)[*:1]
Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 Cc1ccc(cc1)[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]
O=C(c1cc(-c2ccccc2)on1)N1CCO[C@@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(c1cc(on1)-c1ccccc1)N1CCO[C@@H](C1)[*:1]
O=C(c1cc(-c2ccccc2)on1)N1CCO[C@@H](c2ccc(F)cc2)C1 c1ccc(cc1)[*:1] O=C(c1cc(on1)[*:1])N1CCO[C@H](C1)c1ccc(F)cc1
C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O Clc1ccc(cc1Cl)[*:1] C[C@H](C(=O)N[*:1])N1C(=O)[C@H]2CCCC[C@@H]2C1=O
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(Cl)cc1C(=O)[O-] c1csc(c1)[*:1] COc1cc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])c(Cl)cc1C(=O)[O-]
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(Cl)cc1C(=O)[O-] O=C([O-])[*:1] COc1cc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)c(Cl)cc1[*:1]
Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C/C2=c3ccccc3=[NH+]C2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CCC(=O)N[*:1])N/N=C/C1C[NH+]=c2ccccc2=1
CC(C)N(C(=O)c1ccc(-n2cnc3ccccc32)cc1)C1CCC1 CC(C)[*:1] O=C(c1ccc(cc1)-n1cnc2ccccc21)N(C1CCC1)[*:1]
CC(C)N(C(=O)c1ccc(-n2cnc3ccccc32)cc1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)c1ccc(cc1)-n1cnc2ccccc21)[*:1]
CC(C)[C@H]1CN(Cc2ccccc2C(F)(F)F)CCO1 FC(F)(F)[*:1] CC(C)[C@H]1CN(CCO1)Cc1ccccc1[*:1]
CC(C)[C@H]1CN(Cc2ccccc2C(F)(F)F)CCO1 CC(C)[*:1] FC(F)(F)c1ccccc1CN1CCO[C@H](C1)[*:1]
NC(=O)c1cc(NC(=O)C(=O)NCc2cccc(Br)c2)ccc1F Brc1cccc(c1)C[*:1] NC(=O)c1cc(ccc1F)NC(=O)C(=O)N[*:1]
NC(=O)c1cc(NC(=O)C(=O)NCc2cccc(Br)c2)ccc1F Brc1cccc(c1)[*:1] NC(=O)c1cc(ccc1F)NC(=O)C(=O)NC[*:1]
NC(=O)c1cc(NC(=O)C(=O)NCc2cccc(Br)c2)ccc1F NC(=O)[*:1] O=C(NCc1cccc(Br)c1)C(=O)Nc1ccc(F)c(c1)[*:1]
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 C#CC[*:1] O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(cc1)S(=O)(=O)N[*:1]
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 C#CCNS(=O)(=O)[*:1] O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(cc1)[*:1]
CSc1cccc(NC(=O)NCCCS(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)NCCCS(=O)(=O)[*:1]
CSc1cccc(NC(=O)NCCCS(=O)(=O)c2ccccc2)c1 CSc1cccc(c1)[*:1] O=C(NCCCS(=O)(=O)c1ccccc1)N[*:1]
CCCn1ccnc1C[C@@H]([NH3+])CSc1ccc(Br)cc1 CCC[*:1] [NH3+][C@@H](CSc1ccc(Br)cc1)Cc1nccn1[*:1]
C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCC#N)cc1 N#CCO[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCC#N)cc1 N#CC[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)O[*:1]
CCn1cc(/C=C2\Oc3cc(OCC(=O)OC)cc(C)c3C2=O)c2ccccc21 COC(=O)C[*:1] CCn1cc(/C=C2\Oc3cc(cc(C)c3C2=O)O[*:1])c2ccccc21
CCn1cc(/C=C2\Oc3cc(OCC(=O)OC)cc(C)c3C2=O)c2ccccc21 COC(=O)[*:1] CCn1cc(/C=C2\Oc3cc(cc(C)c3C2=O)OC[*:1])c2ccccc21
CCn1cc(/C=C2\Oc3cc(OCC(=O)OC)cc(C)c3C2=O)c2ccccc21 COC(=O)CO[*:1] CCn1cc(/C=C2\Oc3cc(cc(C)c3C2=O)[*:1])c2ccccc21
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)[*:1]
CC1(C)CCC[C@@H]1[NH2+]Cc1cc(C(=O)[O-])cs1 O=C([O-])[*:1] CC1(C)CCC[C@@H]1[NH2+]Cc1cc(cs1)[*:1]
CCc1nn(C)cc1C(=O)N1CCCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] CCc1nn(C)cc1C(=O)N1CCCN(CC1)[*:1]
CCc1nn(C)cc1C(=O)N1CCCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] CCc1nn(C)cc1C(=O)N1CCCN(CC1)C[*:1]
CO[C@@H](CNS(=O)(=O)c1ccccc1F)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNS(=O)(=O)c1ccccc1F)[*:1]
CO[C@@H](CNS(=O)(=O)c1ccccc1F)c1ccccc1 Fc1ccccc1[*:1] CO[C@@H](CNS(=O)(=O)[*:1])c1ccccc1
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C)[*:1]
CCN(CC(=O)NC(C)(C)C)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 Clc1ccc(s1)[*:1] CCN(CC(=O)NC(C)(C)C)C(=O)Cc1csc(n1)[*:1]
CCN(CC(=O)NC(C)(C)C)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 CC(C)(C)NC(=O)C[*:1] CCN(C(=O)Cc1csc(n1)-c1ccc(Cl)s1)[*:1]
CCN(CC(=O)NC(C)(C)C)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 CC(C)(C)NC(=O)[*:1] CCN(C[*:1])C(=O)Cc1csc(n1)-c1ccc(Cl)s1
CCN(CC(=O)NC(C)(C)C)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 CC(C)(C)[*:1] CCN(CC(=O)N[*:1])C(=O)Cc1csc(n1)-c1ccc(Cl)s1
COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 COc1ccccc1[*:1] O=C(NC[*:1])c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] COc1ccccc1CNC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 COc1ccccc1C[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC(CCc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cc(sc1C(=O)N1CCC(CC1)CC[*:1])S(N)(=O)=O
Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC(CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1cc(sc1C(=O)N1CCC(CC1)C[*:1])S(N)(=O)=O
Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC(CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] Cc1cc(sc1C(=O)N1CCC(CC1)[*:1])S(N)(=O)=O
Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC(CCc2ccccc2)CC1 NS(=O)(=O)[*:1] Cc1cc(sc1C(=O)N1CCC(CCc2ccccc2)CC1)[*:1]
COc1ccc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)N[C@H](c1cccs1)[*:1]
COc1ccc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)OCC(=O)N[C@H](c1ccccc1)[*:1]
COc1ccc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])N[C@H](c1ccccc1)c1cccs1
Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)c1C Cc1cccc(c1C)[*:1] O=C([C@@H]1CC(=O)N(C1)c1ccc(F)c(Cl)c1)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)c1C Fc1ccc(cc1Cl)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC/C=C/COC(=O)c1ccc(Cl)cc1OC CCC=C[*:1] COc1cc(Cl)ccc1C(=O)OC[*:1]
CC/C=C/COC(=O)c1ccc(Cl)cc1OC CC/C=C/C[*:1] COc1cc(Cl)ccc1C(=O)O[*:1]
CCCc1cc(NC(=O)C(=O)N2CCOC(C)(C)C2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)C(=O)N1CCOC(C)(C)C1)[*:1]
Cc1ccc(Cc2nc(C(=O)NCCc3nnc4n3CCC4)cs2)cc1 Cc1ccc(cc1)C[*:1] O=C(NCCc1nnc2CCCn21)c1csc(n1)[*:1]
Cc1ccc(Cc2nc(C(=O)NCCc3nnc4n3CCC4)cs2)cc1 C1Cc2nnc(n2C1)[*:1] Cc1ccc(cc1)Cc1nc(cs1)C(=O)NCC[*:1]
Cc1ccc(Cc2nc(C(=O)NCCc3nnc4n3CCC4)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1nnc2CCCn21)c1csc(C[*:1])n1
CCC(CC)n1nc(C)cc1NC(=O)c1cnc[nH]c1=O CCC(CC)[*:1] Cc1cc(NC(=O)c2cnc[nH]c2=O)n(n1)[*:1]
CCC(CC)n1nc(C)cc1NC(=O)c1cnc[nH]c1=O O=c1[nH]cncc1[*:1] CCC(CC)n1nc(C)cc1NC(=O)[*:1]
Cc1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1Cl CC(C)(C)[*:1] Cc1ccc(cc1Cl)NCC(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1Cl Cc1ccc(cc1Cl)[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)CN[*:1]
Cc1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1Cl CC(C)(C)NC(=O)[*:1] Cc1ccc(cc1Cl)NCC(=O)Nc1cccc(c1)[*:1]
CCN(Cc1ccccn1)C[C@@H]([NH3+])C1CC1 C1CC1[*:1] CCN(Cc1ccccn1)C[C@@H]([NH3+])[*:1]
Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 Cc1cc(ccc1O[*:1])S(=O)(=O)Nc1ccc(F)cc1
Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1 Fc1ccc(cc1)[*:1] Cc1cc(ccc1OCC(=O)N1CCOCC1)S(=O)(=O)N[*:1]
Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1cc(ccc1OC[*:1])S(=O)(=O)Nc1ccc(F)cc1
Cc1nc(CNC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)sc1C CC(C)(C)[*:1] Cc1nc(CNC(=O)C(=O)Nc2nnc(s2)[*:1])sc1C
Cc1nc(CNC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)sc1C Cc1nc(sc1C)[*:1] CC(C)(C)c1nnc(NC(=O)C(=O)NC[*:1])s1
COC[C@@H](C)N1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 COC[*:1] C[C@@H](N1CC[NH+](CC1)Cc1cc2cc(F)ccc2o1)[*:1]
COC[C@@H](C)N1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 COC[C@@H](C)[*:1] Fc1ccc2oc(cc2c1)C[NH+]1CCN(CC1)[*:1]
Cc1noc([C@@H](C)SCc2nc(C3CC3)no2)n1 C1CC1[*:1] Cc1noc(n1)[C@@H](C)SCc1nc(no1)[*:1]
Cc1noc([C@@H](C)SCc2nc(C3CC3)no2)n1 Cc1noc(n1)[*:1] C[C@@H](SCc1nc(no1)C1CC1)[*:1]
CCOC(=O)N[C@@]1(C(F)(F)F)C(=O)N(Cc2ccccc2)C2=C1C(=O)CC(C)(C)C2 CCOC(=O)N[*:1] CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(=O)[C@@]2(C(F)(F)F)[*:1]
CCOC(=O)N[C@@]1(C(F)(F)F)C(=O)N(Cc2ccccc2)C2=C1C(=O)CC(C)(C)C2 c1ccc(cc1)C[*:1] CCOC(=O)N[C@]1(C(=O)N(C2CC(C)(C)CC(=O)C=21)[*:1])C(F)(F)F
CCOC(=O)N[C@@]1(C(F)(F)F)C(=O)N(Cc2ccccc2)C2=C1C(=O)CC(C)(C)C2 FC(F)(F)[*:1] CCOC(=O)N[C@]1(C(=O)N(Cc2ccccc2)C2CC(C)(C)CC(=O)C=21)[*:1]
CCOC(=O)N[C@@]1(C(F)(F)F)C(=O)N(Cc2ccccc2)C2=C1C(=O)CC(C)(C)C2 c1ccc(cc1)[*:1] CCOC(=O)N[C@]1(C(=O)N(C[*:1])C2CC(C)(C)CC(=O)C=21)C(F)(F)F
COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 CC(C)[*:1] COc1ccc(cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)C(=O)NCC[*:1]
COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 CC(C)CCNC(=O)[*:1] COc1ccc(cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)[*:1]
COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 CC(C)CC[*:1] COc1ccc(cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)C(=O)N[*:1]
COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 CC(C)C[*:1] COc1ccc(cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)C(=O)NC[*:1]
COc1nccnc1N1CCC2(CC1)c1[nH+]c[nH]c1CCN2CC(C)C COc1nccnc1[*:1] CC(C)CN1CCc2[nH]c[nH+]c2C12CCN(CC2)[*:1]
COc1nccnc1N1CCC2(CC1)c1[nH+]c[nH]c1CCN2CC(C)C CC(C)C[*:1] COc1nccnc1N1CCC2(CC1)c1[nH+]c[nH]c1CCN2[*:1]
COc1nccnc1N1CCC2(CC1)c1[nH+]c[nH]c1CCN2CC(C)C CC(C)[*:1] COc1nccnc1N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C[*:1]
C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN1c1ncccn1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN1c1ncccn1)[*:1]
C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN1c1ncccn1)c1cccs1 c1cnc(nc1)[*:1] C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN1[*:1])c1cccs1
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O c1cc2OCOc2cc1[*:1] C[C@@]1(C[*:1])NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O O=S1(=O)CC[C@H](C1)[*:1] C[C@@]1(Cc2ccc3OCOc3c2)NC(=O)N(CC(=O)N[*:1])C1=O
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc(C)cc2O)cc1 Cc1ccc(c(O)c1)[*:1] COc1ccc(cc1)-c1c2c(=O)n(C)c(=O)n(C)c2c2[C@@H](OCCn12)[*:1]
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc(C)cc2O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(c(O)c1)[C@H]1OCCn2c(c3c(=O)n(C)c(=O)n(C)c3c21)[*:1]
COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CN(C)C(=O)[C@@H]1CC(=O)N(C1)[C@@H](C)[*:1]
COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)N(C)C[*:1]
COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 COc1ccc(cc1)C[*:1] C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)N(C)[*:1]
COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 C[C@@H](c1ccccc1)[*:1] COc1ccc(cc1)CN(C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1OC C#CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nnc(C)n2n1
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1OC Cc1nnc2ccc(nn12)[*:1] C#CCOc1ccc(cc1OC)[C@@H]1CC(=O)Nc2c1c(C)nn2[*:1]
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1OC C#CC[*:1] COc1cc(ccc1O[*:1])[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nnc(C)n2n1
CO[C@H]1CC[C@H]2OCCN(Cc3cccc(OCc4ccccn4)c3)[C@@H]2C1 c1ccc(CO[*:1])nc1 CO[C@H]1CC[C@H]2OCCN(Cc3cccc(c3)[*:1])[C@@H]2C1
CO[C@H]1CC[C@H]2OCCN(Cc3cccc(OCc4ccccn4)c3)[C@@H]2C1 c1ccc(nc1)[*:1] CO[C@H]1CC[C@H]2OCCN(Cc3cccc(c3)OC[*:1])[C@@H]2C1
CO[C@H]1CC[C@H]2OCCN(Cc3cccc(OCc4ccccn4)c3)[C@@H]2C1 c1ccc(C[*:1])nc1 CO[C@H]1CC[C@H]2OCCN(Cc3cccc(c3)O[*:1])[C@@H]2C1
CCC(=O)Nc1cc(NC(=O)C2CCCC2)ccc1C CCC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)C1CCCC1
CCC(=O)Nc1cc(NC(=O)C2CCCC2)ccc1C C1CCC(C1)[*:1] CCC(=O)Nc1cc(ccc1C)NC(=O)[*:1]
Cc1noc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)n1 Cc1noc(n1)[*:1] O=C(NCCN1CCOCC1)c1ccc(cc1)[*:1]
Cc1noc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)n1 C1CN(CCO1)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NCC[*:1]
Cc1noc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)n1 C1CN(CCO1)C[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NC[*:1]
CS(=O)(=O)Nc1ccc(NC(=O)CCOc2cccc3ccccc23)cc1Cl CS(=O)(=O)N[*:1] O=C(CCOc1cccc2ccccc12)Nc1ccc(c(Cl)c1)[*:1]
CCc1ccc2oc(-c3ccccc3)c(OCC(=O)[O-])c(=O)c2c1 O=C([O-])C[*:1] CCc1ccc2oc(-c3ccccc3)c(O[*:1])c(=O)c2c1
CCc1ccc2oc(-c3ccccc3)c(OCC(=O)[O-])c(=O)c2c1 c1ccc(cc1)[*:1] CCc1ccc2oc(c(OCC(=O)[O-])c(=O)c2c1)[*:1]
CCc1ccc2oc(-c3ccccc3)c(OCC(=O)[O-])c(=O)c2c1 O=C([O-])CO[*:1] CCc1ccc2oc(-c3ccccc3)c(c(=O)c2c1)[*:1]
CCc1ccc2oc(-c3ccccc3)c(OCC(=O)[O-])c(=O)c2c1 O=C([O-])[*:1] CCc1ccc2oc(-c3ccccc3)c(OC[*:1])c(=O)c2c1
C[C@@H]1CCN(C(=O)COc2cccc(NC(=O)c3ccco3)c2)C[C@@H]1O O=C(N[*:1])c1ccco1 C[C@@H]1CCN(C[C@@H]1O)C(=O)COc1cccc(c1)[*:1]
C[C@@H]1CCN(C(=O)COc2cccc(NC(=O)c3ccco3)c2)C[C@@H]1O c1coc(c1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)COc1cccc(c1)NC(=O)[*:1]
C[C@H](Sc1nncs1)C(=O)N[C@@H]1CCCc2ccccc21 c1nnc(S[*:1])s1 C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)[*:1]
C[C@H](Sc1nncs1)C(=O)N[C@@H]1CCCc2ccccc21 c1nnc(s1)[*:1] C[C@H](S[*:1])C(=O)N[C@@H]1CCCc2ccccc21
CCC[C@H]1SCCN1C(=O)c1ccc(Br)cc1O CCC[*:1] O=C(c1ccc(Br)cc1O)N1CCS[C@@H]1[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)CCc2nc3ncccc3[nH]2)cc1 CC(C)[*:1] O=C(CCc1nc2ncccc2[nH]1)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)CCc2nc3ncccc3[nH]2)cc1 CC(C)C(=O)N[*:1] O=C(CCc1nc2ncccc2[nH]1)Nc1ccc(cc1)[*:1]
[NH3+]CCCc1ccc(C2CC2)cc1 [NH3+]CCC[*:1] c1cc(ccc1C1CC1)[*:1]
[NH3+]CCCc1ccc(C2CC2)cc1 [NH3+]CC[*:1] c1cc(ccc1C[*:1])C1CC1
[NH3+]CCCc1ccc(C2CC2)cc1 C1CC1[*:1] [NH3+]CCCc1ccc(cc1)[*:1]
CO[C@H](CNC(=O)N[C@H](C)C(C)C)c1ccc(F)cc1 CC(C)[C@@H](C)[*:1] CO[C@H](CNC(=O)N[*:1])c1ccc(F)cc1
CO[C@H](CNC(=O)N[C@H](C)C(C)C)c1ccc(F)cc1 CC(C)[*:1] CO[C@H](CNC(=O)N[C@H](C)[*:1])c1ccc(F)cc1
CSCn1nc2ccccc2n1 CSC[*:1] c1ccc2nn(nc2c1)[*:1]
CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc[nH]n1 CC(C)[*:1] O=C(NC[C@H]1CCO[C@@H]1[*:1])c1cc[nH]n1
CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc[nH]n1 c1cc(n[nH]1)[*:1] CC(C)[C@H]1OCC[C@@H]1CNC(=O)[*:1]
Cc1ccccc1-n1c(C)nnc1SCC(=O)NC1CC1 O=C(C[*:1])NC1CC1 Cc1ccccc1-n1c(C)nnc1S[*:1]
Cc1ccccc1-n1c(C)nnc1SCC(=O)NC1CC1 C1CC1[*:1] Cc1ccccc1-n1c(C)nnc1SCC(=O)N[*:1]
Cc1ccccc1-n1c(C)nnc1SCC(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1ccccc1-n1c(C)nnc1SC[*:1]
Cc1ccccc1-n1c(C)nnc1SCC(=O)NC1CC1 Cc1ccccc1[*:1] Cc1nnc(SCC(=O)NC2CC2)n1[*:1]
Cc1nc(CN2CCN(C(=O)c3c(O)cccc3O)CC2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(c1c(O)cccc1O)N1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(C(=O)c3c(O)cccc3O)CC2)n[nH]1 Cc1nc(C[*:1])n[nH]1 O=C(c1c(O)cccc1O)N1CCN(CC1)[*:1]
Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2cccnc2)c2ccccc21 O=C(C[*:1])c1cccnc1 Cc1ccccc1CN1C(=O)[C@@](O)(c2ccccc21)[*:1]
Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2cccnc2)c2ccccc21 c1cncc(c1)[*:1] Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)[*:1])c2ccccc21
Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2cccnc2)c2ccccc21 Cc1ccccc1[*:1] O=C(C[C@]1(O)C(=O)N(C[*:1])c2ccccc21)c1cccnc1
Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2cccnc2)c2ccccc21 Cc1ccccc1C[*:1] O=C(C[C@]1(O)C(=O)N(c2ccccc21)[*:1])c1cccnc1
Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2cccnc2)c2ccccc21 O=C(c1cccnc1)[*:1] Cc1ccccc1CN1C(=O)[C@@](O)(C[*:1])c2ccccc21
CC1(C)CCC[C@@H]1[C@H](O)C(=O)[O-] O=C([O-])[*:1] CC1(C)CCC[C@@H]1[C@H](O)[*:1]
C[C@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)[*:1]
C[C@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1ccccc1 C[C@H](c1ccccc1)[*:1] CN(CC(=O)N[*:1])Cc1nc2ccccc2c(=O)[nH]1
O=C([O-])c1ccc(N2C(=O)C[C@H](Nc3ccccc3[N+](=O)[O-])C2=O)cc1 O=C([O-])[*:1] O=C1C[C@H](Nc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(cc1)[*:1]
O=C([O-])c1ccc(N2C(=O)C[C@H](Nc3ccccc3[N+](=O)[O-])C2=O)cc1 O=[N+]([O-])[*:1] O=C([O-])c1ccc(cc1)N1C(=O)C[C@H](Nc2ccccc2[*:1])C1=O
Cc1ccc(-n2nc(C)cc2NC(=O)CO[C@H]2CCC[C@H](C)C2)nn1 Cc1ccc(nn1)[*:1] Cc1cc(NC(=O)CO[C@H]2CCC[C@H](C)C2)n(n1)[*:1]
c1ccc(Nc2cc(-c3ccccn3)nc(-c3ccccc3)n2)cc1 c1ccc(cc1)N[*:1] c1ccc(cc1)-c1nc(cc(n1)[*:1])-c1ccccn1
c1ccc(Nc2cc(-c3ccccn3)nc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)Nc1cc(nc(n1)[*:1])-c1ccccn1
c1ccc(Nc2cc(-c3ccccn3)nc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nc(cc(n1)-c1ccccn1)N[*:1]
c1ccc(Nc2cc(-c3ccccn3)nc(-c3ccccc3)n2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)Nc1cc(nc(n1)-c1ccccc1)[*:1]
C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc2sc(C)c(C)c2c1=O C=CC[*:1] Cc1sc2nc(S[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)n(c(=O)c2c1C)[*:1]
CC1(C)Cc2cccc(OCC(=O)NC[C@@](C)(O)c3ccc(F)cc3)c2O1 Fc1ccc(cc1)[*:1] CC1(C)Cc2cccc(OCC(=O)NC[C@@](C)(O)[*:1])c2O1
CCCNC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 CC(C)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
CCCNC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 CCC[*:1] CC(C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCC[C@H](C1)C(=O)N[*:1]
CCCNC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 CCCNC(=O)[*:1] CC(C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCC[C@H](C1)[*:1]
CCCNC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CCCNC(=O)[C@@H]1CCCN(C1)c1ccc(cc1[*:1])C(=O)NC(C)C
CCCNC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 CC(C)NC(=O)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)c1ccc(cc1[N+](=O)[O-])[*:1]
CN1CCCN(C(=O)CN2C[C@@H](c3ccccc3)CC2=O)CC12CC[NH2+]CC2 c1ccc(cc1)[*:1] CN1CCCN(CC12CC[NH2+]CC2)C(=O)CN1C[C@@H](CC1=O)[*:1]
CC1=NN(c2ccccc2)C(=O)[C@]1(C)NS(=O)(=O)c1ccc(F)c2ccccc12 c1ccc(cc1)[*:1] CC1=NN(C(=O)[C@]1(C)NS(=O)(=O)c1ccc(F)c2ccccc12)[*:1]
CN1c2ccc(C(=O)Nc3cccc(F)c3)cc2-c2ccccc2S1(=O)=O Fc1cccc(c1)[*:1] CN1c2ccc(cc2-c2ccccc2S1(=O)=O)C(=O)N[*:1]
O=C(N/N=C/c1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc2c(c1)OCO2 O=C([O-])[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])C(=O)Nc1ccc2OCOc2c1
Cc1ccc(CN(C)C(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)o1 FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(CN(C)C(=O)C(=O)c2c(C)nn(c2C)[*:1])o1
Cc1ccc(CN(C)C(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)o1 FC(F)(F)[*:1] Cc1ccc(CN(C)C(=O)C(=O)c2c(C)nn(-c3cccc(c3)[*:1])c2C)o1
Cc1ccc(CN(C)C(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)o1 Cc1ccc(C[*:1])o1 Cc1nn(-c2cccc(c2)C(F)(F)F)c(C)c1C(=O)C(=O)N(C)[*:1]
Cc1ccc(CN(C)C(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)o1 Cc1ccc(o1)[*:1] Cc1nn(-c2cccc(c2)C(F)(F)F)c(C)c1C(=O)C(=O)N(C)C[*:1]
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ncccc3C)nn1-c1ccc(Cl)cc1)C2 Clc1ccc(cc1)[*:1] COc1cc2Cc3c(nn(c3-c2cc1OC)[*:1])C(=O)Nc1ncccc1C
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ncccc3C)nn1-c1ccc(Cl)cc1)C2 Cc1cccnc1[*:1] COc1cc2Cc3c(nn(-c4ccc(Cl)cc4)c3-c2cc1OC)C(=O)N[*:1]
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ncccc3C)nn1-c1ccc(Cl)cc1)C2 Cc1cccnc1NC(=O)[*:1] COc1cc2Cc3c(nn(-c4ccc(Cl)cc4)c3-c2cc1OC)[*:1]
C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O C1CCC(CC1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)C1CC1
C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(CC(=O)NC2CCCCC2)C1=O)[*:1]
CC(C)c1ccc(NC(=O)/C(N)=N\O)cc1 CC(C)[*:1] N/C(=N/O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1csc([C@@H](C#N)C(=O)c2ccn(-c3ccccc3F)n2)n1 CC(C)[*:1] N#C[C@@H](C(=O)c1ccn(n1)-c1ccccc1F)c1nc(cs1)[*:1]
CC(C)c1csc([C@@H](C#N)C(=O)c2ccn(-c3ccccc3F)n2)n1 Fc1ccccc1[*:1] CC(C)c1csc(n1)[C@@H](C#N)C(=O)c1ccn(n1)[*:1]
CC(C)c1csc([C@@H](C#N)C(=O)c2ccn(-c3ccccc3F)n2)n1 CC(C)c1csc(n1)[*:1] N#C[C@@H](C(=O)c1ccn(n1)-c1ccccc1F)[*:1]
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C O=[N+]([O-])[*:1] Cc1[nH]c2cccc(c2c1C)[*:1]
Cc1ccc(C)c(NC(=O)C(=O)NCc2ncnn2C)c1 Cn1ncnc1C[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)N[*:1]
Cc1ccc(C)c(NC(=O)C(=O)NCc2ncnn2C)c1 Cn1ncnc1[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)NC[*:1]
NC(=O)Nc1ccc(CNC(=O)Cc2ccc(OC(F)F)cc2)cc1 FC(F)[*:1] NC(=O)Nc1ccc(cc1)CNC(=O)Cc1ccc(cc1)O[*:1]
NC(=O)Nc1ccc(CNC(=O)Cc2ccc(OC(F)F)cc2)cc1 FC(F)O[*:1] NC(=O)Nc1ccc(cc1)CNC(=O)Cc1ccc(cc1)[*:1]
NC(=O)Nc1ccc(CNC(=O)Cc2ccc(OC(F)F)cc2)cc1 NC(=O)N[*:1] O=C(Cc1ccc(cc1)OC(F)F)NCc1ccc(cc1)[*:1]
Cc1ccccc1N1CCCN(C(=O)C[C@H]2C(=O)N(C)C(=O)N2C)CC1 Cc1ccccc1[*:1] CN1C(=O)[C@H](CC(=O)N2CCCN(CC2)[*:1])N(C)C1=O
O=C([O-])CC1(NC(=O)c2cc([N+](=O)[O-])ccc2F)CCC1 O=C([O-])C[*:1] O=C(NC1(CCC1)[*:1])c1cc(ccc1F)[N+](=O)[O-]
O=C([O-])CC1(NC(=O)c2cc([N+](=O)[O-])ccc2F)CCC1 O=C([O-])[*:1] O=C(NC1(CCC1)C[*:1])c1cc(ccc1F)[N+](=O)[O-]
O=C([O-])CC1(NC(=O)c2cc([N+](=O)[O-])ccc2F)CCC1 O=[N+]([O-])[*:1] O=C([O-])CC1(CCC1)NC(=O)c1cc(ccc1F)[*:1]
COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CCCC3)c(Cl)cc2Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)NC2CCCC2)c(c1)[*:1]
COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CCCC3)c(Cl)cc2Cl)c([N+](=O)[O-])c1 O=S(=O)(NC1CCCC1)[*:1] COc1ccc(NC(=O)c2cc(c(Cl)cc2Cl)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CCCC3)c(Cl)cc2Cl)c([N+](=O)[O-])c1 C1CCC(C1)[*:1] COc1ccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(C)n1-c1sccc1C(=O)N(C)Cc1nccn1C(F)F FC(F)[*:1] Cc1ccc(C)n1-c1sccc1C(=O)N(C)Cc1nccn1[*:1]
Cc1ccc(C)n1-c1sccc1C(=O)N(C)Cc1nccn1C(F)F FC(F)n1ccnc1[*:1] Cc1ccc(C)n1-c1sccc1C(=O)N(C)C[*:1]
Cc1ccc(C)n1-c1sccc1C(=O)N(C)Cc1nccn1C(F)F Cc1ccc(C)n1[*:1] CN(Cc1nccn1C(F)F)C(=O)c1ccsc1[*:1]
C[C@H](CCCO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] C[C@H](CCCO)NS(=O)(=O)c1ccc(cc1Cl)[*:1]
C[C@H](CCCO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl C[C@H](CCCO)[*:1] O=[N+]([O-])c1ccc(c(Cl)c1)S(=O)(=O)N[*:1]
C[C@H](CCCO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl OCC[*:1] C[C@H](C[*:1])NS(=O)(=O)c1ccc(cc1Cl)[N+](=O)[O-]
C[C@H](CCCO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl OCCC[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1Cl)[N+](=O)[O-])[*:1]
CC(C)(C)CC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 CC(C)(C)C[*:1] O=C(Nc1ccccc1F)c1oc2ccccc2c1NC(=O)[*:1]
CC(C)(C)CC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 CC(C)(C)[*:1] O=C(C[*:1])Nc1c(oc2ccccc12)C(=O)Nc1ccccc1F
CC(C)(C)CC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 CC(C)(C)CC(=O)N[*:1] O=C(Nc1ccccc1F)c1oc2ccccc2c1[*:1]
CC(C)(C)CC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 Fc1ccccc1[*:1] CC(C)(C)CC(=O)Nc1c(oc2ccccc12)C(=O)N[*:1]
Cc1[nH]ncc1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 O=C1CCCN1C[*:1] Cc1[nH]ncc1C(=O)N1C[C@H](C[*:1])c2ccccc21
Cc1[nH]ncc1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 Cc1[nH]ncc1[*:1] O=C1CCCN1CC[C@H]1CN(C(=O)[*:1])c2ccccc21
Cc1[nH]ncc1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 O=C1CCCN1[*:1] Cc1[nH]ncc1C(=O)N1C[C@H](CC[*:1])c2ccccc21
Cc1[nH]ncc1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 O=C1CCCN1CC[*:1] Cc1[nH]ncc1C(=O)N1C[C@H](c2ccccc21)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)C12CCC2 CCO[*:1] O=C(N[C@H]1c2ccccc2C[C@H]1O)N[C@@H]1C[C@H](C12CCC2)[*:1]
C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1Cl C[C@@H]1C[C@H]1[*:1] O=C(NCc1ccccc1Cl)[*:1]
NC(=O)CC1CCN(C(=O)CCc2ccccc2Cl)CC1 NC(=O)C[*:1] O=C(CCc1ccccc1Cl)N1CCC(CC1)[*:1]
NC(=O)CC1CCN(C(=O)CCc2ccccc2Cl)CC1 Clc1ccccc1[*:1] NC(=O)CC1CCN(CC1)C(=O)CC[*:1]
NC(=O)CC1CCN(C(=O)CCc2ccccc2Cl)CC1 NC(=O)[*:1] O=C(CCc1ccccc1Cl)N1CCC(CC1)C[*:1]
Cc1ccc(C(=O)NCCCC(N)=O)c(C)c1 NC(=O)[*:1] Cc1ccc(C(=O)NCCC[*:1])c(C)c1
Cc1ccc(C(=O)NCCCC(N)=O)c(C)c1 NC(=O)C[*:1] Cc1ccc(C(=O)NCC[*:1])c(C)c1
Cc1ccc(C(=O)NCCCC(N)=O)c(C)c1 NC(=O)CC[*:1] Cc1ccc(C(=O)NC[*:1])c(C)c1
Cc1ccc(N2C(=O)N=C([O-])[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)N1C(=O)N=C([O-])[C@@]2(Cc3cc(ccc3N(C)[C@H]2c2ccccc2)[*:1])C1=O
Cc1ccc(N2C(=O)N=C([O-])[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)N=C([O-])[C@@]2(Cc3cc(ccc3N(C)[C@@H]2[*:1])[N+](=O)[O-])C1=O
Cc1ccc(N2C(=O)N=C([O-])[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)cc1 Cc1ccc(cc1)[*:1] CN1c2ccc(cc2C[C@]2(C(=O)N(C(=O)N=C2[O-])[*:1])[C@@H]1c1ccccc1)[N+](=O)[O-]
Cc1ccc(OCC(=O)N[C@H](C)C(=O)[O-])c(Br)c1 O=C([O-])[*:1] Cc1ccc(OCC(=O)N[C@H](C)[*:1])c(Br)c1
CCOc1ccc(S(=O)(=O)NC(C)C)cc1 CCO[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)[*:1] CCOc1ccc(cc1)S(=O)(=O)N[*:1]
CCc1ccc(C[C@H]([NH2+]C)[C@@H]2CC[C@H](C)C2)nc1 C[C@H]1CC[C@H](C1)[*:1] CCc1ccc(C[C@H]([NH2+]C)[*:1])nc1
CC(=O)N1CCc2cc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 c1ccc(cc1)C[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)NC1CC[NH+](CC1)[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)NC1CC[NH+](CC1)C[*:1]
COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N=C(N)N3C)o2)cc1 COC(=O)[*:1] CN1C(N)=NC(=O)/C1=C/c1ccc(o1)-c1ccc(cc1)[*:1]
Cc1nnc2ccc(NCc3cccc(NC(=O)C4CCCC4)c3)nn12 O=C(N[*:1])C1CCCC1 Cc1nnc2ccc(nn12)NCc1cccc(c1)[*:1]
Cc1nnc2ccc(NCc3cccc(NC(=O)C4CCCC4)c3)nn12 C1CCC(C1)[*:1] Cc1nnc2ccc(nn12)NCc1cccc(c1)NC(=O)[*:1]
C=C(C)C(=O)OCC[C@@H](C(C)=O)C(=O)[O-] CC(=O)[*:1] C=C(C)C(=O)OCC[C@@H](C(=O)[O-])[*:1]
C=C(C)C(=O)OCC[C@@H](C(C)=O)C(=O)[O-] C=C(C)[*:1] CC(=O)[C@H](CCOC(=O)[*:1])C(=O)[O-]
C=C(C)C(=O)OCC[C@@H](C(C)=O)C(=O)[O-] O=C([O-])[*:1] C=C(C)C(=O)OCC[C@@H](C(C)=O)[*:1]
O=C([O-])c1cc(SC[C@H]2CCOC2)ccn1 O=C([O-])[*:1] c1cc(cc(n1)[*:1])SC[C@H]1CCOC1
O=C([O-])c1cc(SC[C@H]2CCOC2)ccn1 C1C[C@@H](CO1)[*:1] O=C([O-])c1cc(ccn1)SC[*:1]
N#Cc1cccc(CN2CCN(c3ccccc3Cl)CC2)c1 Clc1ccccc1[*:1] N#Cc1cccc(c1)CN1CCN(CC1)[*:1]
O=C(NCc1ccco1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12 O=S(=O)(N1CCCCC1)[*:1] O=C(NCc1ccco1)c1cc(=O)[nH]c2ccc(cc12)[*:1]
O=C(NCc1ccco1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12 c1coc(c1)[*:1] O=C(NC[*:1])c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCCCC1
O=C(NCc1ccco1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12 O=C(NCc1ccco1)[*:1] O=c1cc(c2cc(ccc2[nH]1)S(=O)(=O)N1CCCCC1)[*:1]
O=C(NCc1ccco1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12 c1coc(c1)C[*:1] O=C(N[*:1])c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCCCC1
CCOC(=O)C1(N)CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(N)CC[NH+](CC1)CC[*:1]
CCOC(=O)C1(N)CC[NH+](CCc2ccccc2)CC1 CCOC(=O)[*:1] NC1(CC[NH+](CCc2ccccc2)CC1)[*:1]
O=C(CSc1ccc(F)c(F)c1)Nc1ccnn1Cc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(CSc1ccc(F)c(F)c1)Nc1ccnn1C[*:1]
O=C(CSc1ccc(F)c(F)c1)Nc1ccnn1Cc1ccc(Cl)cc1Cl Fc1ccc(cc1F)[*:1] O=C(CS[*:1])Nc1ccnn1Cc1ccc(Cl)cc1Cl
O=C(CSc1ccc(F)c(F)c1)Nc1ccnn1Cc1ccc(Cl)cc1Cl Fc1ccc(cc1F)S[*:1] O=C(C[*:1])Nc1ccnn1Cc1ccc(Cl)cc1Cl
O=C(CSc1ccc(F)c(F)c1)Nc1ccnn1Cc1ccc(Cl)cc1Cl Clc1ccc(C[*:1])c(Cl)c1 O=C(CSc1ccc(F)c(F)c1)Nc1ccnn1[*:1]
CCCc1cc(NC(=O)C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)n(C)n1 Fc1ccc(cc1)[*:1] CCCc1cc(NC(=O)C(=O)N2C[C@H](C[C@H]2C)[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)n(C)n1 CCCc1cc(n(C)n1)[*:1] C[C@@H]1C[C@H](CN1C(=O)C(=O)N[*:1])c1ccc(F)cc1
CCCc1cc(NC(=O)C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)n(C)n1 CCC[*:1] C[C@@H]1C[C@H](CN1C(=O)C(=O)Nc1cc(nn1C)[*:1])c1ccc(F)cc1
Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccccc1F Fc1ccccc1[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])-c1ccc(=O)[nH]n1
Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccccc1F O=c1ccc(n[nH]1)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccccc1F)[*:1]
CC[C@@H](CSC)N(C)C(=O)C1C[C@@H](C)O[C@H](C)C1 CC[C@@H](CSC)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N(C)[*:1]
CC[C@@H](CSC)N(C)C(=O)C1C[C@@H](C)O[C@H](C)C1 CSC[*:1] CC[C@@H](N(C)C(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
COC[C@](C)(NC(=O)[C@H](C)c1cccc(F)c1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)[C@H](C)c1cccc(F)c1)[*:1]
COC[C@](C)(NC(=O)[C@H](C)c1cccc(F)c1)c1ccccc1 Fc1cccc(c1)[*:1] COC[C@](C)(NC(=O)[C@H](C)[*:1])c1ccccc1
COC[C@](C)(NC(=O)[C@H](C)c1cccc(F)c1)c1ccccc1 COC[*:1] C[C@@H](C(=O)N[C@@](C)(c1ccccc1)[*:1])c1cccc(F)c1
O=C(NCC1(c2ccncc2)CC1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 FC(F)(F)[*:1] O=C(NCC1(CC1)c1ccncc1)[C@@H]1CCc2[nH]nc(c2C1)[*:1]
O=C(NCC1(c2ccncc2)CC1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 c1cc(ccn1)[*:1] O=C(NCC1(CC1)[*:1])[C@@H]1CCc2[nH]nc(c2C1)C(F)(F)F
CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)nc2)cn1 Clc1ccc(cn1)[*:1] CS(=O)(=O)c1ccc(cn1)NC(=O)C[*:1]
CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)nc2)cn1 CS(=O)(=O)[*:1] O=C(Cc1ccc(Cl)nc1)Nc1ccc(nc1)[*:1]
COc1ccc(-n2cnnc2SCC(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)CSc1nncn1[*:1]
[NH3+][C@@H](CCCc1cc(F)cc(Br)c1)c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@@H](CCCc1cc(F)cc(Br)c1)[*:1]
O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccc2nnnn2c1 OC1(CCCCC1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1ccc2nnnn2c1
O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccc2nnnn2c1 OC1(CCCCC1)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1ccc2nnnn2c1
COCc1nc2cc(NC(=O)c3ccc(SC)cc3)ccc2o1 COC[*:1] CSc1ccc(cc1)C(=O)Nc1ccc2oc(nc2c1)[*:1]
O=C(c1ccc2cc[nH]c2c1)N1CC(c2nc(-c3ccccc3)no2)C1 c1ccc(cc1)[*:1] O=C(c1ccc2cc[nH]c2c1)N1CC(C1)c1nc(no1)[*:1]
CCOc1ccccc1CNc1n[nH]c2nc(C)cc(C(F)(F)F)c12 CCO[*:1] Cc1cc(c2c(n[nH]c2n1)NCc1ccccc1[*:1])C(F)(F)F
CCOc1ccccc1CNc1n[nH]c2nc(C)cc(C(F)(F)F)c12 FC(F)(F)[*:1] CCOc1ccccc1CNc1n[nH]c2nc(C)cc(c12)[*:1]
C[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](NC(=O)c1cnc(s1)[C@@H]1CCCO1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(-n2ccnc2)cc1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)c1cnc(s1)[*:1])c1ccc(cc1)-n1ccnc1
C[C@H](CC#N)N(C)C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] N#CC[*:1] C[C@H](N(C)C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-])[*:1]
C[C@H](CC#N)N(C)C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H](CC#N)N(C)C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1[*:1]
C[C@H](CC#N)N(C)C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] C[C@H](CC#N)[*:1] CN(C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-])[*:1]
CN(CC(C)(C)O)C(=O)CCCNC(=O)C1CC1 CC(C)(O)[*:1] CN(C[*:1])C(=O)CCCNC(=O)C1CC1
CN(CC(C)(C)O)C(=O)CCCNC(=O)C1CC1 O=C(N[*:1])C1CC1 CN(CC(C)(C)O)C(=O)CCC[*:1]
CN(CC(C)(C)O)C(=O)CCCNC(=O)C1CC1 CC(C)(O)C[*:1] CN(C(=O)CCCNC(=O)C1CC1)[*:1]
CN(CC(C)(C)O)C(=O)CCCNC(=O)C1CC1 C1CC1[*:1] CN(CC(C)(C)O)C(=O)CCCNC(=O)[*:1]
CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] CCS(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)C[*:1] CCS(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
O=C([O-])CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 O=C([O-])[*:1] c1ccc(cc1)-c1cc(nc(n1)SC[*:1])-c1ccccc1
O=C([O-])CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C([O-])CSc1nc(cc(n1)[*:1])-c1ccccc1
O=C([O-])CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 O=C([O-])C[*:1] c1ccc(cc1)-c1cc(nc(n1)S[*:1])-c1ccccc1
O=C([O-])CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 O=C([O-])CS[*:1] c1ccc(cc1)-c1cc(nc(n1)[*:1])-c1ccccc1
CCOCCC(=O)Nc1ccccc1Oc1ccccc1 CCOCC[*:1] O=C(Nc1ccccc1Oc1ccccc1)[*:1]
CCOCCC(=O)Nc1ccccc1Oc1ccccc1 CCO[*:1] O=C(CC[*:1])Nc1ccccc1Oc1ccccc1
CCOCCC(=O)Nc1ccccc1Oc1ccccc1 CCOC[*:1] O=C(C[*:1])Nc1ccccc1Oc1ccccc1
CCOCCC(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] CCOCCC(=O)Nc1ccccc1O[*:1]
CCOCCC(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] CCOCCC(=O)Nc1ccccc1[*:1]
COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(NC[C@@H](N2CCOCC2)[*:1])c2ccncc12
COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)N2CCOCC2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H](CNc1ccc(c2cnccc12)[*:1])N1CCOCC1
COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H](CNc1ccc(c2cnccc12)[N+](=O)[O-])[*:1]
Cc1ccc([C@H](O)CNC(=O)c2nc3ccccc3s2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@@H](O)[*:1])c1nc2ccccc2s1
O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)Nc1cccc2ccccc12 c1cc2OCOc2cc1[*:1] O=C(CSc1ccc(nn1)[*:1])Nc1cccc2ccccc12
O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)Nc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] O=C(CSc1ccc(nn1)-c1ccc2OCOc2c1)N[*:1]
CCc1nn(C)c2c1nc(N)n2[C@H](C)c1ccccc1F Fc1ccccc1[*:1] CCc1nn(C)c2c1nc(N)n2[C@H](C)[*:1]
Cc1c(C(=O)N[C@H]2CCC[C@@H]2C)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H]1CCC[C@@H]1C
Cc1c(C(=O)N[C@H]2CCC[C@@H]2C)cnn1C(C)C C[C@H]1CCC[C@@H]1[*:1] Cc1c(cnn1C(C)C)C(=O)N[*:1]
CNC(=O)c1ccc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)c(Cl)c1 CNC(=O)[*:1] C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(cc1Cl)[*:1]
CNC(=O)c1ccc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)c(Cl)c1 Oc1cccc(c1)[*:1] CNC(=O)c1ccc(NC(=O)N(C)[C@H](C)[*:1])c(Cl)c1
C=CCN(CC=C)c1nc2[n-]c(C)nc3nc4c(c(c1C#N)c32)CC(=O)N4c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C=CCN(CC=C)c1nc2[n-]c(C)nc3nc4c(CC(=O)N4[*:1])c(c1C#N)c32
C=CCN(CC=C)c1nc2[n-]c(C)nc3nc4c(c(c1C#N)c32)CC(=O)N4c1ccc(F)c(F)c1 C=CCN(CC=C)[*:1] Cc1nc2nc3c(CC(=O)N3c3ccc(F)c(F)c3)c3c(C#N)c(nc([n-]1)c23)[*:1]
C=CCN(CC=C)c1nc2[n-]c(C)nc3nc4c(c(c1C#N)c32)CC(=O)N4c1ccc(F)c(F)c1 C=CC[*:1] C=CCN(c1nc2[n-]c(C)nc3nc4c(CC(=O)N4c4ccc(F)c(F)c4)c(c1C#N)c32)[*:1]
CCn1c(C2CCN(Cc3[nH+]ccn3CCOC)CC2)n[nH]c1=O COCC[*:1] CCn1c(n[nH]c1=O)C1CCN(CC1)Cc1[nH+]ccn1[*:1]
CCn1c(C2CCN(Cc3[nH+]ccn3CCOC)CC2)n[nH]c1=O CCn1c(n[nH]c1=O)[*:1] COCCn1cc[nH+]c1CN1CCC(CC1)[*:1]
CCn1c(C2CCN(Cc3[nH+]ccn3CCOC)CC2)n[nH]c1=O COC[*:1] CCn1c(n[nH]c1=O)C1CCN(CC1)Cc1[nH+]ccn1C[*:1]
CC(=O)c1ccc(C(=O)NCc2ccc(OC3CCCCC3)cc2)cc1 CC(=O)[*:1] O=C(NCc1ccc(cc1)OC1CCCCC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(C(=O)NCc2ccc(OC3CCCCC3)cc2)cc1 C1CCC(CC1)[*:1] CC(=O)c1ccc(cc1)C(=O)NCc1ccc(cc1)O[*:1]
CC(=O)c1ccc(C(=O)NCc2ccc(OC3CCCCC3)cc2)cc1 C1CCC(CC1)O[*:1] CC(=O)c1ccc(cc1)C(=O)NCc1ccc(cc1)[*:1]
O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=c1ccc2c(CCC[C@H]2[NH2+]C[C@@H]2C[C@@H]2[*:1])[nH]1
NC(=O)NCCc1cccnc1 NC(=O)N[*:1] c1cncc(c1)CC[*:1]
C[C@H](CCCO)NC(=O)CCc1ccccc1Cl OCCC[*:1] C[C@H](NC(=O)CCc1ccccc1Cl)[*:1]
C[C@H](CCCO)NC(=O)CCc1ccccc1Cl C[C@H](CCCO)[*:1] O=C(CCc1ccccc1Cl)N[*:1]
C[C@H](CCCO)NC(=O)CCc1ccccc1Cl OCC[*:1] C[C@H](C[*:1])NC(=O)CCc1ccccc1Cl
Cc1cccc(OCC(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])NNC(=O)C[C@H]1CCS(=O)(=O)C1
O=C([O-])C[C@@H]1C(=O)NC(=S)N1c1ccccc1 O=C([O-])C[*:1] O=C1NC(=S)N(c2ccccc2)[C@@H]1[*:1]
O=C([O-])C[C@@H]1C(=O)NC(=S)N1c1ccccc1 O=C([O-])[*:1] O=C1NC(=S)N(c2ccccc2)[C@@H]1C[*:1]
CCN(CCC#N)c1nc2cc(N)ccc2o1 N#CC[*:1] CCN(C[*:1])c1nc2cc(N)ccc2o1
CCN(CCC#N)c1nc2cc(N)ccc2o1 N#CCC[*:1] CCN(c1nc2cc(N)ccc2o1)[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]1C[*:1]
Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccccc3c2=O)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)C(=O)c1cn(CC(=O)N[*:1])c2ccccc2c1=O
Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccccc3c2=O)cc1 Cc1ccc(cc1)C(=O)[*:1] Cc1ccccc1NC(=O)Cn1cc(c(=O)c2ccccc21)[*:1]
Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccccc3c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)Cn1cc(C(=O)[*:1])c(=O)c2ccccc21
Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccccc3c2=O)cc1 Cc1ccccc1NC(=O)[*:1] Cc1ccc(cc1)C(=O)c1cn(C[*:1])c2ccccc2c1=O
CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCOC[C@H]2C2CC2)CC1 CC(C)(C)NC(=O)C[*:1] O=C(CN1CCOC[C@H]1C1CC1)N1CCN(CC1)[*:1]
CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCOC[C@H]2C2CC2)CC1 CC(C)(C)[*:1] O=C(CN1CCN(CC1)C(=O)CN1CCOC[C@H]1C1CC1)N[*:1]
CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCOC[C@H]2C2CC2)CC1 CC(C)(C)NC(=O)[*:1] O=C(CN1CCOC[C@H]1C1CC1)N1CCN(CC1)C[*:1]
CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCOC[C@H]2C2CC2)CC1 C1CC1[*:1] CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CN1CCOC[C@@H]1[*:1]
CC[C@@H](O)CC[C@H]([NH3+])C(=O)[O-] O=C([O-])[*:1] CC[C@@H](O)CC[C@H]([NH3+])[*:1]
Cc1cccc(CNC(=O)c2nn(C)c3c2CN(C(=O)COc2cccc(C)c2)CC3)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)OCC(=O)N1CCc2c(C1)c(nn2C)C(=O)NC[*:1]
Cc1cccc(CNC(=O)c2nn(C)c3c2CN(C(=O)COc2cccc(C)c2)CC3)c1 Cc1cccc(c1)C[*:1] Cc1cccc(c1)OCC(=O)N1CCc2c(C1)c(nn2C)C(=O)N[*:1]
Cc1cccc(CNC(=O)c2nn(C)c3c2CN(C(=O)COc2cccc(C)c2)CC3)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)CNC(=O)c1nn(C)c2CCN(Cc12)C(=O)CO[*:1]
Cc1cccc(CNC(=O)c2nn(C)c3c2CN(C(=O)COc2cccc(C)c2)CC3)c1 Cc1cccc(c1)O[*:1] Cc1cccc(c1)CNC(=O)c1nn(C)c2CCN(Cc12)C(=O)C[*:1]
Cc1cccc(CNC(=O)c2nn(C)c3c2CN(C(=O)COc2cccc(C)c2)CC3)c1 Cc1cccc(c1)OC[*:1] Cc1cccc(c1)CNC(=O)c1nn(C)c2CCN(Cc12)C(=O)[*:1]
C[C@@H]1[C@@H]([NH2+]CCc2cccc(C(N)=O)c2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1[C@H](CC(=O)N1C[*:1])[NH2+]CCc1cccc(c1)C(N)=O
C[C@@H]1[C@@H]([NH2+]CCc2cccc(C(N)=O)c2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1[C@H](CC(=O)N1[*:1])[NH2+]CCc1cccc(c1)C(N)=O
C[C@@H]1[C@@H]([NH2+]CCc2cccc(C(N)=O)c2)CC(=O)N1Cc1ccccc1 NC(=O)[*:1] C[C@@H]1[C@H](CC(=O)N1Cc1ccccc1)[NH2+]CCc1cccc(c1)[*:1]
CCC(CC)N1C(=O)[C@@H](C(C)(C)C)NC(=O)[C@@H]1[C@@H](C)CC CC[C@H](C)[*:1] CCC(CC)N1C(=O)[C@H](NC(=O)[C@H]1[*:1])C(C)(C)C
CCC(CC)N1C(=O)[C@@H](C(C)(C)C)NC(=O)[C@@H]1[C@@H](C)CC CC(C)(C)[*:1] CCC(CC)N1C(=O)[C@@H](NC(=O)[C@@H]1[C@@H](C)CC)[*:1]
CCC(CC)N1C(=O)[C@@H](C(C)(C)C)NC(=O)[C@@H]1[C@@H](C)CC CCC(CC)[*:1] CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N1[*:1])C(C)(C)C
Cc1ccc(CNC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1 Cc1ccc(cc1)C[*:1] O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)N[*:1]
Cc1ccc(CNC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)CNC(=O)NC[C@H]([C@@H]1CCOC1)[*:1]
Cc1ccc(CNC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)NC[*:1]
O=C(CCCCO)NC12CC3CC(CC(C3)C1)C2 OCCC[*:1] O=C(C[*:1])NC12CC3CC(CC(C3)C1)C2
O=C(CCCCO)NC12CC3CC(CC(C3)C1)C2 OCCCC[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)[*:1]
O=C(CCCCO)NC12CC3CC(CC(C3)C1)C2 OCC[*:1] O=C(CC[*:1])NC12CC3CC(CC(C3)C1)C2
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2C[C@@H]2[*:1])n1
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)n1 Cc1cc(C)n(n1)[*:1] O=C(C[*:1])NNC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)n1 Cc1cc(C)n(C[*:1])n1 O=C(NNC(=O)[*:1])N[C@@H]1C[C@H]1c1cccc(Cl)c1
C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1nc(C2CCCCC2)no1 O[C@H](c1ccccc1)[*:1] C[C@H](NC(=O)C[*:1])c1nc(no1)C1CCCCC1
C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1nc(C2CCCCC2)no1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C[C@H](O)[*:1])c1nc(no1)C1CCCCC1
C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1nc(C2CCCCC2)no1 C1CCC(CC1)[*:1] C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1nc(no1)[*:1]
CC[C@H](NC(=O)[C@H](O)c1ccccc1)c1cc(F)ccc1F c1ccc(cc1)[*:1] CC[C@H](NC(=O)[C@H](O)[*:1])c1cc(F)ccc1F
N[C@H](c1ccc2[nH]c(=O)oc2c1)C(F)(F)C(F)F FC(F)[*:1] N[C@H](c1ccc2[nH]c(=O)oc2c1)C(F)(F)[*:1]
N[C@H](c1ccc2[nH]c(=O)oc2c1)C(F)(F)C(F)F FC(F)C(F)(F)[*:1] N[C@H](c1ccc2[nH]c(=O)oc2c1)[*:1]
Cc1cc(C)c(NC(=O)CCC(=O)[O-])cc1C O=C([O-])CC[*:1] Cc1cc(C)c(cc1C)NC(=O)[*:1]
Cc1cc(C)c(NC(=O)CCC(=O)[O-])cc1C O=C([O-])[*:1] Cc1cc(C)c(cc1C)NC(=O)CC[*:1]
Cc1cc(C)c(NC(=O)CCC(=O)[O-])cc1C O=C([O-])C[*:1] Cc1cc(C)c(cc1C)NC(=O)C[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cc2C)C1 COC(=O)[*:1] Cc1cc(=O)[nH]cc1C(=O)N1CCC[C@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cc2C)C1 COC(=O)C(C)(C)[*:1] Cc1cc(=O)[nH]cc1C(=O)N1CCC[C@H](C1)[*:1]
CC[C@@H](C)NC(=O)c1snc(C(=O)NC(C)C)c1N CC[C@@H](C)[*:1] CC(C)NC(=O)c1nsc(C(=O)N[*:1])c1N
CC[C@@H](C)NC(=O)c1snc(C(=O)NC(C)C)c1N CC(C)NC(=O)[*:1] CC[C@@H](C)NC(=O)c1snc(c1N)[*:1]
CC[C@@H](C)NC(=O)c1snc(C(=O)NC(C)C)c1N CC(C)[*:1] CC[C@@H](C)NC(=O)c1snc(C(=O)N[*:1])c1N
Cc1cc(CN2CCN(C(=O)NCc3cccc(C[NH+](C)C)c3)CC2)on1 Cc1cc(C[*:1])on1 C[NH+](C)Cc1cccc(c1)CNC(=O)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)NCc3cccc(C[NH+](C)C)c3)CC2)on1 Cc1cc(on1)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)N1CCN(CC1)C[*:1]
O=C(CCCl)NC[C@@H]1OCCc2ccccc21 ClCC[*:1] O=C(NC[C@@H]1OCCc2ccccc21)[*:1]
C[C@@H](C(=O)N[C@H](C)c1ccccc1)n1c2ccccc2c2cn[nH]c(=O)c21 c1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])n1c2ccccc2c2cn[nH]c(=O)c21
C[C@@H](C(=O)N[C@H](C)c1ccccc1)n1c2ccccc2c2cn[nH]c(=O)c21 C[C@H](c1ccccc1)[*:1] C[C@@H](C(=O)N[*:1])n1c2ccccc2c2cn[nH]c(=O)c21
O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc2ccccc2oc1=O C1CN(CCO1)[*:1] O=C(Nc1cccc(c1)-c1ccc(nn1)[*:1])c1cc2ccccc2oc1=O
CCC[C@]1(CO)CCCN(C(=O)c2nnc3n2CCCCC3)C1 CCC[*:1] O=C(c1nnc2CCCCCn21)N1CCC[C@@](CO)(C1)[*:1]
C[C@@H]1CN(S(=O)(=O)NCCNS(C)(=O)=O)C[C@@H](C)O1 CS(=O)(=O)NC[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)NC[*:1]
C[C@@H]1CN(S(=O)(=O)NCCNS(C)(=O)=O)C[C@@H](C)O1 CS(=O)(=O)N[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)NCC[*:1]
O=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCc2ccccc2C1 c1ccc(cc1)[*:1] O=C(c1cnn2c(cc(nc12)[*:1])C(F)(F)F)N1CCc2ccccc2C1
O=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCc2ccccc2C1 FC(F)(F)[*:1] O=C(c1cnn2c(cc(nc12)-c1ccccc1)[*:1])N1CCc2ccccc2C1
CCOC(=O)C1(C)CCN(C(=O)[C@H](C)CCc2ccccc2F)CC1 Fc1ccccc1[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[C@H](C)CC[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@H](C)CCc2ccccc2F)CC1 CCOC(=O)[*:1] C[C@H](CCc1ccccc1F)C(=O)N1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@H](C)CCc2ccccc2F)CC1 Fc1ccccc1C[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[C@H](C)C[*:1]
COc1cc(C)ccc1OC(=O)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] COc1cc(C)ccc1OC(=O)c1csc(n1)[*:1]
C[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)C1 NC(=O)[*:1] C[C@@H]1CCCN(C1)C(=O)c1cc(nc2c(ncn12)[*:1])-c1ccco1
C[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)C1 c1coc(c1)[*:1] C[C@@H]1CCCN(C1)C(=O)c1cc(nc2c(ncn12)C(N)=O)[*:1]
CCC[NH2+][C@@H]1c2cc(F)c(F)cc2[S@@](=O)[C@H](C)[C@@H]1C CCC[*:1] C[C@@H]1[C@H]([NH2+][*:1])c2cc(F)c(F)cc2[S@@](=O)[C@@H]1C
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccccc1F O=C(N1CCOCC1)[*:1] COc1ccc(cc1NC(=O)c1ccccc1F)[*:1]
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccccc1F Fc1ccccc1[*:1] COc1ccc(cc1NC(=O)[*:1])C(=O)N1CCOCC1
CC[C@]1(C)NC(=O)N(CCC[NH3+])C1=O [NH3+]CC[*:1] CC[C@]1(C)NC(=O)N(C[*:1])C1=O
CC[C@]1(C)NC(=O)N(CCC[NH3+])C1=O [NH3+]CCC[*:1] CC[C@]1(C)NC(=O)N(C1=O)[*:1]
CN(C)c1nc(N)n(CCO)c(=O)n1 CN(C)[*:1] Nc1nc(nc(=O)n1CCO)[*:1]
CN(C)c1nc(N)n(CCO)c(=O)n1 OCC[*:1] CN(C)c1nc(N)n(c(=O)n1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccc(F)cc1)C1CC1 C1CC1[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N(Cc1ccc(F)cc1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccc(F)cc1)C1CC1 O=[N+]([O-])[*:1] O=C(c1ccc(o1)[*:1])N(Cc1ccc(F)cc1)C1CC1
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N(C[*:1])C1CC1
CC(C)C(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 O=[N+]([O-])[*:1] CC(C)C(=O)Nc1ccc(cc1)N[C@@H](C)C(=O)Nc1ccc(cc1Cl)[*:1]
CC(C)C(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 CC(C)C(=O)N[*:1] C[C@H](Nc1ccc(cc1)[*:1])C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]
CC(C)C(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 CC(C)[*:1] C[C@H](Nc1ccc(cc1)NC(=O)[*:1])C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]
CC1=C(C)C[C@@H](C(=O)NCC(=O)c2ccccc2)[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC1C[C@@H](C(=O)NCC(=O)c2ccccc2)[C@H](CC=1C)[*:1]
CC1=C(C)C[C@@H](C(=O)NCC(=O)c2ccccc2)[C@H](C(=O)[O-])C1 c1ccc(cc1)[*:1] CC1C[C@@H](C(=O)[O-])[C@@H](CC=1C)C(=O)NCC(=O)[*:1]
CCC(CC)Oc1ccccc1C[C@H]([NH3+])CC CCC(CC)[*:1] CC[C@@H]([NH3+])Cc1ccccc1O[*:1]
O=C(COc1ccccc1)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 O=C([O-])[*:1] O=C(COc1ccccc1)Nc1cc(cc(c1)[*:1])C(=O)[O-]
O=C(COc1ccccc1)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-]
O=C(COc1ccccc1)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-]
CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1 CC(C)CO[*:1] O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(cc1)[*:1]
CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1 CC(C)C[*:1] O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(cc1)O[*:1]
CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1 CC(C)[*:1] O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(cc1)OC[*:1]
COc1ccc(-c2cc(C(F)(F)F)ccc2OC)cc1O FC(F)(F)[*:1] COc1ccc(cc1O)-c1cc(ccc1OC)[*:1]
COC(=O)Cc1n[nH]c(/N=C(\[O-])C/C=C/c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] COC(=O)Cc1n[nH]c(/N=C(\[O-])CC=C[*:1])n1
COC(=O)Cc1n[nH]c(/N=C(\[O-])C/C=C/c2ccc(C)cc2)n1 COC(=O)C[*:1] Cc1ccc(/C=C/C/C([O-])=N/c2nc(n[nH]2)[*:1])cc1
COC(=O)Cc1n[nH]c(/N=C(\[O-])C/C=C/c2ccc(C)cc2)n1 COC(=O)[*:1] Cc1ccc(/C=C/C/C([O-])=N/c2nc(C[*:1])n[nH]2)cc1
CC(C)CC[NH+]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 CC(C)C[*:1] C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](CC1)C[*:1]
CC(C)CC[NH+]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 N#CC[*:1] CC(C)CC[NH+]1CCN(CC1)C(=O)Nc1ccccc1S[C@H](C)[*:1]
CC(C)CC[NH+]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 C[C@H](CC#N)S[*:1] CC(C)CC[NH+]1CCN(CC1)C(=O)Nc1ccccc1[*:1]
CC(C)CC[NH+]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 CC(C)[*:1] C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](CC1)CC[*:1]
CC(C)CC[NH+]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 CC(C)CC[*:1] C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](CC1)[*:1]
Cc1cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)N[C@H](CC(=O)OC(C)C)[*:1]
Cc1cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)no1 CC(C)OC(=O)C[*:1] Cc1cc(no1)NC(=O)N[C@H](c1ccccc1)[*:1]
Cc1cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)no1 CC(C)OC(=O)[*:1] Cc1cc(no1)NC(=O)N[C@H](C[*:1])c1ccccc1
Cc1cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)no1 CC(C)[*:1] Cc1cc(no1)NC(=O)N[C@H](CC(=O)O[*:1])c1ccccc1
Cc1cc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)no1 Cc1cc(no1)[*:1] CC(C)OC(=O)C[C@@H](NC(=O)N[*:1])c1ccccc1
CSCC(=O)NNC(=O)c1cc2ccc(Cl)cc2[nH]1 CSC[*:1] O=C(NNC(=O)[*:1])c1cc2ccc(Cl)cc2[nH]1
C[C@@H](CNc1ccccc1)NC(=O)c1ccc2c(c1)CCC(=O)N2C c1ccc(cc1)NC[*:1] C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2C)[*:1]
C[C@@H](CNc1ccccc1)NC(=O)c1ccc2c(c1)CCC(=O)N2C c1ccc(cc1)N[*:1] C[C@@H](C[*:1])NC(=O)c1ccc2c(c1)CCC(=O)N2C
C[C@@H](CNc1ccccc1)NC(=O)c1ccc2c(c1)CCC(=O)N2C c1ccc(cc1)[*:1] C[C@@H](CN[*:1])NC(=O)c1ccc2c(c1)CCC(=O)N2C
CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccccc2Br)c1 CC(C)[*:1] O=C(Nc1ccccc1Br)c1cccc(c1)OCc1nnnn1[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccccc2Br)c1 CC(C)n1nnnc1[*:1] O=C(Nc1ccccc1Br)c1cccc(c1)OC[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccccc2Br)c1 Brc1ccccc1[*:1] CC(C)n1nnnc1COc1cccc(c1)C(=O)N[*:1]
COc1cccc(OC)c1C(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 c1sc(nc1C1CC1)[*:1] COc1cccc(OC)c1C(=O)N1CCN(CC1)C[*:1]
COc1cccc(OC)c1C(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 c1sc(C[*:1])nc1C1CC1 COc1cccc(OC)c1C(=O)N1CCN(CC1)[*:1]
COc1cccc(OC)c1C(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 C1CC1[*:1] COc1cccc(OC)c1C(=O)N1CCN(CC1)Cc1nc(cs1)[*:1]
Cn1cccc1CN(Cc1cccs1)C(=O)[C@H]1COc2ccccc2O1 Cn1cccc1[*:1] O=C([C@H]1COc2ccccc2O1)N(Cc1cccs1)C[*:1]
Cn1cccc1CN(Cc1cccs1)C(=O)[C@H]1COc2ccccc2O1 Cn1cccc1C[*:1] O=C([C@H]1COc2ccccc2O1)N(Cc1cccs1)[*:1]
Cn1cccc1CN(Cc1cccs1)C(=O)[C@H]1COc2ccccc2O1 c1csc(c1)[*:1] Cn1cccc1CN(C[*:1])C(=O)[C@H]1COc2ccccc2O1
Cn1cccc1CN(Cc1cccs1)C(=O)[C@H]1COc2ccccc2O1 c1csc(c1)C[*:1] Cn1cccc1CN(C(=O)[C@H]1COc2ccccc2O1)[*:1]
CC(C)NC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 CC(C)[*:1] O=C(NNS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N[*:1]
CC(C)NC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)NC(=O)NNS(=O)(=O)c1cc(cc(c1)[*:1])C(F)(F)F
Cc1ncccc1C(=O)N1CCCC[C@@H]1C[C@@H](C)O C[C@@H](O)[*:1] Cc1ncccc1C(=O)N1CCCC[C@@H]1C[*:1]
Cc1ncccc1C(=O)N1CCCC[C@@H]1C[C@@H](C)O C[C@@H](O)C[*:1] Cc1ncccc1C(=O)N1CCCC[C@H]1[*:1]
CN1CC(=O)N2CCN(C/C=C/c3ccc(F)cc3)C[C@H]2C1=O Fc1ccc(cc1)[*:1] CN1CC(=O)N2CCN(CC=C[*:1])C[C@H]2C1=O
COCc1ccccc1C(=O)Nc1cccc(F)c1F COC[*:1] O=C(Nc1cccc(F)c1F)c1ccccc1[*:1]
Cc1ccccc1Cc1nc(CS(=O)(=O)c2nccn2C)no1 Cc1ccccc1[*:1] Cn1ccnc1S(=O)(=O)Cc1noc(C[*:1])n1
Cc1ccccc1Cc1nc(CS(=O)(=O)c2nccn2C)no1 Cn1ccnc1[*:1] Cc1ccccc1Cc1nc(CS(=O)(=O)[*:1])no1
COc1ccc(O)c(C(=O)Nc2cccc(OCc3ccccn3)c2)c1 c1ccc(nc1)[*:1] COc1ccc(O)c(c1)C(=O)Nc1cccc(c1)OC[*:1]
COc1ccc(O)c(C(=O)Nc2cccc(OCc3ccccn3)c2)c1 c1ccc(CO[*:1])nc1 COc1ccc(O)c(c1)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(O)c(C(=O)Nc2cccc(OCc3ccccn3)c2)c1 c1ccc(C[*:1])nc1 COc1ccc(O)c(c1)C(=O)Nc1cccc(c1)O[*:1]
C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3cccc4cn[nH]c34)CC2)C1 c1cc(c2[nH]ncc2c1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)CN1CC[NH+](CC1)C[*:1]
C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3cccc4cn[nH]c34)CC2)C1 C[C@H]1CCC[C@@H](C1)[*:1] O=C(CN1CC[NH+](CC1)Cc1cccc2cn[nH]c12)N[*:1]
COC[C@@](C)(NC(=O)c1csc(-c2cnccn2)n1)c1ccccc1 COC[*:1] C[C@@](NC(=O)c1csc(n1)-c1cnccn1)(c1ccccc1)[*:1]
COC[C@@](C)(NC(=O)c1csc(-c2cnccn2)n1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@](C)(NC(=O)c1csc(n1)-c1cnccn1)[*:1]
COC[C@@](C)(NC(=O)c1csc(-c2cnccn2)n1)c1ccccc1 c1cnc(cn1)[*:1] COC[C@@](C)(NC(=O)c1csc(n1)[*:1])c1ccccc1
CCOCCOc1ccccc1C(C)=O CCO[*:1] CC(=O)c1ccccc1OCC[*:1]
CCOCCOc1ccccc1C(C)=O CC(=O)[*:1] CCOCCOc1ccccc1[*:1]
CCOCCOc1ccccc1C(C)=O CCOCC[*:1] CC(=O)c1ccccc1O[*:1]
CCOCCOc1ccccc1C(C)=O CCOC[*:1] CC(=O)c1ccccc1OC[*:1]
C#CCN(CC(=O)[O-])C(=O)Nc1cc(Br)ccc1C O=C([O-])[*:1] C#CCN(C[*:1])C(=O)Nc1cc(Br)ccc1C
C#CCN(CC(=O)[O-])C(=O)Nc1cc(Br)ccc1C C#CC[*:1] Cc1ccc(Br)cc1NC(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)Nc1cc(Br)ccc1C O=C([O-])C[*:1] C#CCN(C(=O)Nc1cc(Br)ccc1C)[*:1]
O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(c1nccnc1[*:1])N1CCN(CC1)[C@H]1CCS(=O)(=O)C1
C#Cc1cccc(NC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] C#Cc1cccc(c1)NC(=O)c1ccccc1S(=O)(=O)N(C)[*:1]
C#Cc1cccc(NC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)c1 C#Cc1cccc(c1)[*:1] CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N[*:1]
O=C(Cn1cnc2c(nnn2Cc2cccc(Cl)c2)c1=O)Nc1ccc(F)cc1 Clc1cccc(c1)[*:1] O=C(Cn1cnc2c(nnn2C[*:1])c1=O)Nc1ccc(F)cc1
O=C(Cn1cnc2c(nnn2Cc2cccc(Cl)c2)c1=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1cnc2c(nnn2Cc2cccc(Cl)c2)c1=O)N[*:1]
O=C(Cn1cnc2c(nnn2Cc2cccc(Cl)c2)c1=O)Nc1ccc(F)cc1 Clc1cccc(c1)C[*:1] O=C(Cn1cnc2c(nnn2[*:1])c1=O)Nc1ccc(F)cc1
C[NH2+][C@@H](C(C)C)[C@@H](c1ccccc1)c1ccccc1C CC(C)[*:1] C[NH2+][C@@H]([C@@H](c1ccccc1)c1ccccc1C)[*:1]
C[NH2+][C@@H](C(C)C)[C@@H](c1ccccc1)c1ccccc1C c1ccc(cc1)[*:1] C[NH2+][C@@H](C(C)C)[C@@H](c1ccccc1C)[*:1]
COCCN(Cc1ccccn1)C(=O)N[C@H]1CCCC[C@@H]1C c1ccc(nc1)[*:1] COCCN(C[*:1])C(=O)N[C@H]1CCCC[C@@H]1C
COCCN(Cc1ccccn1)C(=O)N[C@H]1CCCC[C@@H]1C c1ccc(C[*:1])nc1 COCCN(C(=O)N[C@H]1CCCC[C@@H]1C)[*:1]
COCCN(Cc1ccccn1)C(=O)N[C@H]1CCCC[C@@H]1C COC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)N(Cc1ccccn1)C[*:1]
COCCN(Cc1ccccn1)C(=O)N[C@H]1CCCC[C@@H]1C COCC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)N(Cc1ccccn1)[*:1]
O=C(Nc1ccc2ncsc2c1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 c1nc2ccc(cc2s1)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
CCC(CC)(C(=O)NCCN1C(=O)CSC1=O)c1ccccc1 O=C1CSC(=O)N1[*:1] CCC(CC)(C(=O)NCC[*:1])c1ccccc1
CCC(CC)(C(=O)NCCN1C(=O)CSC1=O)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)(C(=O)NCCN1C(=O)CSC1=O)[*:1]
Cc1noc([C@@H](C)N2CCN(C(=O)Cc3ccccc3)CC2)n1 Cc1noc(n1)[*:1] C[C@@H](N1CCN(CC1)C(=O)Cc1ccccc1)[*:1]
Cc1noc([C@@H](C)N2CCN(C(=O)Cc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] Cc1noc(n1)[C@@H](C)N1CCN(CC1)C(=O)[*:1]
Cc1noc([C@@H](C)N2CCN(C(=O)Cc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@@H](C)N1CCN(CC1)C(=O)C[*:1]
CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccc2C(=O)N(C(=O)c2c1)c1ccccc1)[*:1]
CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccc2C(=O)N(C(=O)c2c1)[*:1])c1ccccc1
CS[C@@H]1CC[C@H](NC(=O)COc2ccc(C(C)=O)cc2)C1 CC(=O)[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)COc1ccc(cc1)[*:1]
CC(C)c1nnc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)s1 Oc1ccc(cc1)[*:1] CC(C)c1nnc(NC(=O)N[C@@H](C)CC[*:1])s1
CC(C)c1nnc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)s1 CC(C)[*:1] C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1nnc(s1)[*:1]
CS[C@@H]1CCC[C@@H](Nc2cncc(-n3ccnc3C)n2)C1 Cc1nccn1[*:1] CS[C@@H]1CCC[C@H](C1)Nc1cncc(n1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)N(CC1CCCCC1)C1CC1 C1CCC(CC1)[*:1] O=C(Nc1ccc2OCOc2c1)N(C[*:1])C1CC1
O=C(Nc1ccc2c(c1)OCO2)N(CC1CCCCC1)C1CC1 C1CCC(CC1)C[*:1] O=C(Nc1ccc2OCOc2c1)N(C1CC1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)N(CC1CCCCC1)C1CC1 C1CC1[*:1] O=C(Nc1ccc2OCOc2c1)N(CC1CCCCC1)[*:1]
CC(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1cccnc1Cl c1ccc(cc1)[*:1] CC(C)CN(C[C@H](O)[*:1])C(=O)Nc1cccnc1Cl
CC(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1cccnc1Cl O[C@H](c1ccccc1)[*:1] CC(C)CN(C[*:1])C(=O)Nc1cccnc1Cl
CC(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] CC(C)CN(C[C@H](O)c1ccccc1)C(=O)N[*:1]
CC(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1cccnc1Cl CC(C)[*:1] O=C(Nc1cccnc1Cl)N(C[C@H](O)c1ccccc1)C[*:1]
CC(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1cccnc1Cl CC(C)C[*:1] O=C(Nc1cccnc1Cl)N(C[C@H](O)c1ccccc1)[*:1]
C[C@H]1C[NH+](Cc2ccc(C[NH2+]C(C)(C)C)cn2)C[C@@H]1C CC(C)(C)[*:1] C[C@H]1C[NH+](Cc2ccc(cn2)C[NH2+][*:1])C[C@@H]1C
C[C@H]1C[NH+](Cc2ccc(C[NH2+]C(C)(C)C)cn2)C[C@@H]1C CC(C)(C)[NH2+][*:1] C[C@H]1C[NH+](Cc2ccc(cn2)C[*:1])C[C@@H]1C
C[C@H]1C[NH+](Cc2ccc(C[NH2+]C(C)(C)C)cn2)C[C@@H]1C CC(C)(C)[NH2+]C[*:1] C[C@H]1C[NH+](Cc2ccc(cn2)[*:1])C[C@@H]1C
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)[N-]c1ccc(cc1)C(=O)N[C@H]1CCCC[C@H]1C
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] C[C@@H]1CCCC[C@@H]1NC(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[N-]c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] Cc1ccc(cc1[N+](=O)[O-])[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3ccc(F)cc3)cc21 CCC[*:1] O=C(Cc1ccc(F)cc1)Nc1ccc2CCCN(c2c1)S(=O)(=O)[*:1]
CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3ccc(F)cc3)cc21 Fc1ccc(cc1)C[*:1] CCCS(=O)(=O)N1CCCc2ccc(cc21)NC(=O)[*:1]
CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3ccc(F)cc3)cc21 Fc1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCCc2ccc(cc21)NC(=O)C[*:1]
O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1[*:1]
CC(C)NC(=O)CCCC(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 CC(C)NC(=O)[*:1] C[C@@H](C(=O)N1CCCCC1)N1CCN(CC1)C(=O)CCC[*:1]
CC(C)NC(=O)CCCC(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 CC(C)NC(=O)CCC[*:1] C[C@@H](C(=O)N1CCCCC1)N1CCN(CC1)C(=O)[*:1]
CC(C)NC(=O)CCCC(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 CC(C)NC(=O)CC[*:1] C[C@@H](C(=O)N1CCCCC1)N1CCN(CC1)C(=O)C[*:1]
CC(C)NC(=O)CCCC(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] CC(C)NC(=O)CCCC(=O)N1CCN(CC1)[C@@H](C)[*:1]
CC(C)NC(=O)CCCC(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 CC(C)[*:1] C[C@@H](C(=O)N1CCCCC1)N1CCN(CC1)C(=O)CCCC(=O)N[*:1]
CC(C)NC(=O)CCCC(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 CC(C)NC(=O)C[*:1] C[C@@H](C(=O)N1CCCCC1)N1CCN(CC1)C(=O)CC[*:1]
COc1cccc(CN(C(=O)c2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c1 COc1cccc(c1)[*:1] O=C(c1ccc(Cl)cc1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COc1cccc(CN(C(=O)c2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(CCc1ccccc1F)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 Fc1ccccc1CC[*:1] O=C(N1CCC(CC1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F)[*:1]
O=C(CCc1ccccc1F)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 Fc1ccccc1[*:1] O=C(CC[*:1])N1CCC(CC1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F
O=C(CCc1ccccc1F)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 Fc1ccccc1C[*:1] O=C(C[*:1])N1CCC(CC1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F
O=C(CCc1ccccc1F)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 FC(F)(F)[*:1] O=C(CCc1ccccc1F)N1CCC(CC1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
O=C(Nc1ccccn1)N1CCC[C@H]1Cc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccccn1)N1CCC[C@H]1C[*:1]
O=C(Nc1ccccn1)N1CCC[C@H]1Cc1cccc(F)c1 c1ccc(nc1)[*:1] O=C(N[*:1])N1CCC[C@H]1Cc1cccc(F)c1
CCN(C(=O)CCNC(=O)OC)c1ccc(C#N)c(Cl)c1 COC(=O)NC[*:1] CCN(C(=O)C[*:1])c1ccc(C#N)c(Cl)c1
CCN(C(=O)CCNC(=O)OC)c1ccc(C#N)c(Cl)c1 COC(=O)NCC[*:1] CCN(C(=O)[*:1])c1ccc(C#N)c(Cl)c1
CCN(C(=O)CCNC(=O)OC)c1ccc(C#N)c(Cl)c1 COC(=O)N[*:1] CCN(C(=O)CC[*:1])c1ccc(C#N)c(Cl)c1
NC(=O)c1cnn(-c2ccncc2)c1N NC(=O)[*:1] Nc1c(cnn1-c1ccncc1)[*:1]
Cc1cc(C(=O)Nc2nc(C(C)C)cs2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)Nc2nc(cs2)C(C)C)c(C)n1[*:1]
Cc1cc(C(=O)Nc2nc(C(C)C)cs2)c(C)n1C1CC1 CC(C)[*:1] Cc1cc(C(=O)Nc2nc(cs2)[*:1])c(C)n1C1CC1
CC(C)(C)c1n[nH]c(C(=O)NCc2c[nH]cn2)n1 c1nc(c[nH]1)[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)NC[*:1]
CC(C)(C)c1n[nH]c(C(=O)NCc2c[nH]cn2)n1 c1nc(c[nH]1)C[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)N[*:1]
CC(C)(C)c1n[nH]c(C(=O)NCc2c[nH]cn2)n1 CC(C)(C)[*:1] O=C(NCc1c[nH]cn1)c1nc(n[nH]1)[*:1]
CC(=O)NCC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 CC(=O)N[*:1] C[C@@H]1CN(CCO1)[C@@H](CNC(=O)C[*:1])c1c(F)cccc1Cl
CC(=O)NCC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 CC(=O)NCC(=O)N[*:1] C[C@@H]1CN(CCO1)[C@@H](C[*:1])c1c(F)cccc1Cl
CC(=O)NCC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 CC(=O)NC[*:1] C[C@@H]1CN(CCO1)[C@@H](CNC(=O)[*:1])c1c(F)cccc1Cl
CC(=O)NCC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 C[C@@H]1CN(CCO1)[*:1] CC(=O)NCC(=O)NC[C@@H](c1c(F)cccc1Cl)[*:1]
CC(=O)NCC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 Fc1cccc(Cl)c1[*:1] CC(=O)NCC(=O)NC[C@@H](N1CCO[C@H](C)C1)[*:1]
COc1ccc([C@H](C)NC(=O)N(C)[C@H](C)c2ccc(C)cc2)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H](C)NC(=O)N(C)[C@H](C)[*:1]
CCCS(=O)(=O)NCc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 CCCS(=O)(=O)NC[*:1] CC1(C)NC(=O)N(Cc2ccc(cc2)[*:1])C1=O
CCCS(=O)(=O)NCc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 CCCS(=O)(=O)N[*:1] CC1(C)NC(=O)N(Cc2ccc(cc2)C[*:1])C1=O
CCCS(=O)(=O)NCc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 CCC[*:1] CC1(C)NC(=O)N(Cc2ccc(cc2)CNS(=O)(=O)[*:1])C1=O
COC(=O)[C@H](NC(=O)c1ccc2nncn2c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)c1ccc2nncn2c1)[*:1]
COC(=O)[C@H](NC(=O)c1ccc2nncn2c1)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)c1ccc2nncn2c1)[*:1]
C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 NS(=O)(=O)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(Cl)c(Cl)c1
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)[O-] FC(F)(F)[*:1] Cc1nn(-c2cccc(c2)[*:1])c(C)c1CC(=O)[O-]
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)[O-] O=C([O-])[*:1] Cc1nn(-c2cccc(c2)C(F)(F)F)c(C)c1C[*:1]
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)[O-] O=C([O-])C[*:1] Cc1nn(-c2cccc(c2)C(F)(F)F)c(C)c1[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CNS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1 CNS(=O)(=O)[*:1] O=C(Nc1nc2CCCCCc2s1)c1cccc(c1)[*:1]
COCc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(C)nn2)c1 COC[*:1] Cc1ccc(nn1)-n1nc(C)cc1NC(=O)c1cccc(c1)[*:1]
COCc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(C)nn2)c1 Cc1ccc(nn1)[*:1] COCc1cccc(c1)C(=O)Nc1cc(C)nn1[*:1]
COc1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc(OC)c1 FC(F)(F)[*:1] COc1cc(cc(c1)OC)NC(=O)Cc1ccc(cc1)[*:1]
COc1ccc([C@@H](NC(=O)NCCc2nc3ccccc3[nH]2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)NCCc1nc2ccccc2[nH]1)[*:1]
COc1ccc([C@@H](NC(=O)NCCc2nc3ccccc3[nH]2)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCCc1nc2ccccc2[nH]1)N[C@@H](C1CC1)[*:1]
COc1ccc([C@@H](NC(=O)NCCc2nc3ccccc3[nH]2)C2CC2)cc1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)NCC[*:1])C1CC1
O=C(COc1ccc([N+](=O)[O-])cc1)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1 O=[N+]([O-])[*:1] O=C(COc1ccc(cc1)[*:1])Oc1cccc(c1)N1C(=O)c2ccccc2C1=O
O=C(COc1ccc([N+](=O)[O-])cc1)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CO[*:1])Oc1cccc(c1)N1C(=O)c2ccccc2C1=O
O=C(COc1ccc([N+](=O)[O-])cc1)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1 O=[N+]([O-])c1ccc(cc1)O[*:1] O=C(C[*:1])Oc1cccc(c1)N1C(=O)c2ccccc2C1=O
CC(=O)Nc1ccc(NCC(=O)Nc2ccc(C)cc2Cl)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] CC(=O)Nc1ccc(NCC(=O)N[*:1])c(Cl)c1
CC(=O)Nc1ccc(NCC(=O)Nc2ccc(C)cc2Cl)c(Cl)c1 CC(=O)N[*:1] Cc1ccc(NC(=O)CNc2ccc(cc2Cl)[*:1])c(Cl)c1
C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 C1CC[C@H]([NH2+]C1)[*:1] C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]1[*:1]
CC(C)CNC(=[NH2+])[C@@H]1CSCCS1 CC(C)C[*:1] [NH2+]=C(N[*:1])[C@@H]1CSCCS1
CC(C)CNC(=[NH2+])[C@@H]1CSCCS1 CC(C)[*:1] [NH2+]=C(NC[*:1])[C@@H]1CSCCS1
O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c1 Fc1cccc(F)c1[*:1] O=[N+]([O-])c1cccc(c1)C[NH2+][C@H]1CCN(C1)[*:1]
O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c1 O=[N+]([O-])[*:1] Fc1cccc(F)c1N1CC[C@@H](C1)[NH2+]Cc1cccc(c1)[*:1]
CC(C)OCC[NH+]1CCN(c2ccc(C(N)=O)nn2)CC1 CC(C)OCC[*:1] NC(=O)c1ccc(nn1)N1CC[NH+](CC1)[*:1]
CC(C)OCC[NH+]1CCN(c2ccc(C(N)=O)nn2)CC1 NC(=O)[*:1] CC(C)OCC[NH+]1CCN(CC1)c1ccc(nn1)[*:1]
CC(C)OCC[NH+]1CCN(c2ccc(C(N)=O)nn2)CC1 CC(C)O[*:1] NC(=O)c1ccc(nn1)N1CC[NH+](CC1)CC[*:1]
CC(C)OCC[NH+]1CCN(c2ccc(C(N)=O)nn2)CC1 CC(C)[*:1] NC(=O)c1ccc(nn1)N1CC[NH+](CCO[*:1])CC1
CC(C)OCC[NH+]1CCN(c2ccc(C(N)=O)nn2)CC1 CC(C)OC[*:1] NC(=O)c1ccc(nn1)N1CC[NH+](CC1)C[*:1]
O=C(Oc1ccc2oc3c(c2c1)CCCC3)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(Oc1ccc2oc3CCCCc3c2c1)c1ccc(cc1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](O)C1 O=[N+]([O-])[*:1] Cc1ncc(cc1C(=O)N1CC[C@@H](C)[C@@H](O)C1)[*:1]
CC[C@]1(C)CCCN(C(=O)Nc2cccc(S(=O)(=O)NC)c2C)C1 CNS(=O)(=O)[*:1] CC[C@]1(C)CCCN(C1)C(=O)Nc1cccc(c1C)[*:1]
O=[N+]([O-])c1c(-n2cnc3ccccc32)ncnc1-n1cnc2ccccc21 O=[N+]([O-])[*:1] c1ccc2c(c1)ncn2-c1ncnc(c1[*:1])-n1cnc2ccccc21
O=[N+]([O-])c1c(-n2cnc3ccccc32)ncnc1-n1cnc2ccccc21 c1ccc2c(c1)ncn2[*:1] O=[N+]([O-])c1c(ncnc1[*:1])-n1cnc2ccccc21
CCCC(=O)Nc1cccc(CNC(=O)c2cnn(C(C)C)c2C)c1 CCC[*:1] Cc1c(cnn1C(C)C)C(=O)NCc1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)c2cnn(C(C)C)c2C)c1 CC(C)[*:1] CCCC(=O)Nc1cccc(c1)CNC(=O)c1cnn(c1C)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)c2cnn(C(C)C)c2C)c1 CCCC(=O)N[*:1] Cc1c(cnn1C(C)C)C(=O)NCc1cccc(c1)[*:1]
CCS(=O)(=O)Nc1ccc2oc(C)c(C(C)=O)c2c1 CCS(=O)(=O)N[*:1] CC(=O)c1c(C)oc2ccc(cc12)[*:1]
CCS(=O)(=O)Nc1ccc2oc(C)c(C(C)=O)c2c1 CC(=O)[*:1] CCS(=O)(=O)Nc1ccc2oc(C)c(c2c1)[*:1]
C[C@@H](CNC(=S)Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=S)N[*:1])c1ccccc1
C[C@@H](CNC(=S)Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=S)Nc1ccccc1)[*:1]
COCC[C@@]1(C)C(=N)NC(=O)N1CC1CC1 C1CC1C[*:1] COCC[C@@]1(C)C(=N)NC(=O)N1[*:1]
COCC[C@@]1(C)C(=N)NC(=O)N1CC1CC1 COC[*:1] C[C@]1(C[*:1])C(=N)NC(=O)N1CC1CC1
COCC[C@@]1(C)C(=N)NC(=O)N1CC1CC1 C1CC1[*:1] COCC[C@@]1(C)C(=N)NC(=O)N1C[*:1]
COCC[C@@]1(C)C(=N)NC(=O)N1CC1CC1 COCC[*:1] C[C@]1(C(=N)NC(=O)N1CC1CC1)[*:1]
Cc1cc(N)nc(SCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)n1 C1CC1[*:1] Cc1cc(N)nc(n1)SCC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(N)nc(SCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)n1 O=S1(=O)CC[C@H](C1)[*:1] Cc1cc(N)nc(n1)SCC(=O)N(C1CC1)[*:1]
Cc1ccc2c(c1)c(-c1csc(N)n1)c(C)n2C Nc1nc(cs1)[*:1] Cc1ccc2c(c1)c(c(C)n2C)[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 CC(=O)NC[*:1] CC[C@@H](C)NS(=O)(=O)c1ccc(cc1)[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 CC[C@@H](C)[*:1] CC(=O)NCc1ccc(cc1)S(=O)(=O)N[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 CC(=O)N[*:1] CC[C@@H](C)NS(=O)(=O)c1ccc(cc1)C[*:1]
CCOc1ncccc1C(=O)NCc1nnc2n1CCC2 CCO[*:1] O=C(NCc1nnc2CCCn21)c1cccnc1[*:1]
C[C@](O)(CNC(=O)c1ccc(-n2ccnn2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
C[C@](O)(CNC(=O)c1ccc(-n2ccnn2)cc1)c1ccc(F)cc1 c1cn(nn1)[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)[*:1])c1ccc(F)cc1
Cc1ncccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 Cc1ncccc1[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)N[*:1]
Cc1ncccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 N#Cc1cccnc1[*:1] Cc1ncccc1NC(=O)N1CCN(CC1)[*:1]
O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)NC1CC1 Clc1ccc(cc1)[*:1] O=C(NC[C@@H](n1cccn1)[*:1])NC1CC1
O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)NC1CC1 c1cnn(c1)[*:1] O=C(NC[C@@H](c1ccc(Cl)cc1)[*:1])NC1CC1
O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)NC1CC1 C1CC1[*:1] O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)N[*:1]
O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)NC1CC1 O=C(NC1CC1)N[*:1] Clc1ccc(cc1)[C@H](C[*:1])n1cccn1
COc1ccc(OC)c(N2C(=O)c3cnc4c(c(-c5ccc(Cl)cc5)nn4C)c3C2=O)c1 COc1ccc(OC)c(c1)[*:1] Cn1nc(-c2ccc(Cl)cc2)c2c3C(=O)N(C(=O)c3cnc21)[*:1]
COc1ccc(OC)c(N2C(=O)c3cnc4c(c(-c5ccc(Cl)cc5)nn4C)c3C2=O)c1 Clc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)N1C(=O)c2cnc3c(c(nn3C)[*:1])c2C1=O
Cc1nc(C)c(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)s1 FC(F)(F)[*:1] Cc1nc(C)c(CNS(=O)(=O)c2ccc(F)c(c2)[*:1])s1
Cc1nc(C)c(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)s1 Cc1nc(C)c(s1)[*:1] O=S(=O)(NC[*:1])c1ccc(F)c(c1)C(F)(F)F
Cc1cc(C)nc(N2CCC(NC(=O)c3ccccc3F)CC2)n1 Fc1ccccc1[*:1] Cc1cc(C)nc(n1)N1CCC(CC1)NC(=O)[*:1]
Cc1cc(C)nc(N2CCC(NC(=O)c3ccccc3F)CC2)n1 Cc1cc(C)nc(n1)[*:1] O=C(NC1CCN(CC1)[*:1])c1ccccc1F
C=Cn1ncc(CN2CCN(C3CCCCC3)C(=O)C2)c1C C1CCC(CC1)[*:1] C=Cn1ncc(CN2CCN(C(=O)C2)[*:1])c1C
CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)c3c(C)noc3C)cc2F)CC1 Cc1noc(C)c1[C@H](C)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1F)C(=O)N[*:1]
CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)c3c(C)noc3C)cc2F)CC1 Cc1noc(C)c1[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1F)C(=O)N[C@@H](C)[*:1]
C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccccc1Br C1CC1[*:1] C[C@H]([NH2+][C@H]1CC(=O)N(C1)[*:1])c1ccccc1Br
CN(c1ccc(OCc2ccon2)cc1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] c1cc(COc2ccc(cc2)[*:1])no1
CN(c1ccc(OCc2ccon2)cc1)S(C)(=O)=O c1cc(no1)[*:1] CN(c1ccc(cc1)OC[*:1])S(C)(=O)=O
CN(c1ccc(OCc2ccon2)cc1)S(C)(=O)=O c1cc(C[*:1])no1 CN(c1ccc(cc1)O[*:1])S(C)(=O)=O
O=C(Nc1cccc2cccnc12)C1(c2cc(-c3ccccc3)on2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cccc2cccnc12)C1(CC1)c1cc(on1)[*:1]
Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4ccc(F)cc4Cl)c3c2c1 Fc1ccc(c(Cl)c1)[*:1] Cc1ccc2oc(=O)c3cnn(CC(=O)N[*:1])c3c2c1
C[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1cccc(N2CCCC2)c1 O=S(=O)(C1CCCC1)[*:1] C[C@@H](NC(=O)CC[*:1])c1cccc(c1)N1CCCC1
C[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1cccc(N2CCCC2)c1 C1CCC(C1)[*:1] C[C@@H](NC(=O)CCS(=O)(=O)[*:1])c1cccc(c1)N1CCCC1
C[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1cccc(c1)[*:1]
Nc1nc(-c2cccc(C3CC3)c2)ncc1I C1CC1[*:1] Nc1nc(ncc1I)-c1cccc(c1)[*:1]
Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 Cc1cc(C)cc(c1)O[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 c1cnc(nc1)[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CC(=O)c1cccc(OCC[C@H]2CCCC2=O)c1 O=C1CCC[C@@H]1[*:1] CC(=O)c1cccc(c1)OCC[*:1]
CC(=O)c1cccc(OCC[C@H]2CCCC2=O)c1 CC(=O)[*:1] O=C1CCC[C@@H]1CCOc1cccc(c1)[*:1]
COc1ccc(CCNc2nc(S(=O)(=O)c3ccccc3)c(Cl)s2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CCNc1nc(c(Cl)s1)S(=O)(=O)[*:1]
COc1ccc(CCNc2nc(S(=O)(=O)c3ccccc3)c(Cl)s2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)c1nc(NCC[*:1])sc1Cl
C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)N1c2ccccc2NC(=O)C1(C)C C1CO[C@@H](C1)[*:1] C[C@@H](Sc1nnc(NC[*:1])s1)C(=O)N1c2ccccc2NC(=O)C1(C)C
C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)N1c2ccccc2NC(=O)C1(C)C C1CO[C@@H](C1)C[*:1] C[C@@H](Sc1nnc(N[*:1])s1)C(=O)N1c2ccccc2NC(=O)C1(C)C
C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)N1c2ccccc2NC(=O)C1(C)C C1CO[C@@H](C1)CN[*:1] C[C@@H](Sc1nnc(s1)[*:1])C(=O)N1c2ccccc2NC(=O)C1(C)C
CCCc1nc(C(=O)N2CCNC(=O)[C@@H]2C)n[nH]1 CCC[*:1] C[C@H]1C(=O)NCCN1C(=O)c1n[nH]c(n1)[*:1]
C[NH+]1CCN(c2ncnc(NC3CCCCC3)c2[N+](=O)[O-])CC1 C1CCC(CC1)[*:1] C[NH+]1CCN(CC1)c1ncnc(N[*:1])c1[N+](=O)[O-]
C[NH+]1CCN(c2ncnc(NC3CCCCC3)c2[N+](=O)[O-])CC1 C1CCC(CC1)N[*:1] C[NH+]1CCN(CC1)c1ncnc(c1[N+](=O)[O-])[*:1]
C[NH+]1CCN(c2ncnc(NC3CCCCC3)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)c1ncnc(NC2CCCCC2)c1[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1ccc(F)cc1)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)[*:1])[N+](=O)[O-]
CCCNC(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 CCC[*:1] Cc1ccc(cc1)-c1cc(nc(n1)SCC(=O)N[*:1])C(F)(F)F
CCCNC(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 FC(F)(F)[*:1] CCCNC(=O)CSc1nc(cc(n1)[*:1])-c1ccc(C)cc1
CCCNC(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 CCCNC(=O)[*:1] Cc1ccc(cc1)-c1cc(nc(n1)SC[*:1])C(F)(F)F
CCCNC(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 Cc1ccc(cc1)[*:1] CCCNC(=O)CSc1nc(cc(n1)[*:1])C(F)(F)F
CCCNC(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 CCCNC(=O)C[*:1] Cc1ccc(cc1)-c1cc(nc(n1)S[*:1])C(F)(F)F
CCCNC(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 CCCNC(=O)CS[*:1] Cc1ccc(cc1)-c1cc(nc(n1)[*:1])C(F)(F)F
Cc1ccccc1C(C)(C)CNC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 Cc1ccccc1[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NCC(C)(C)[*:1]
CCCC(=O)Nc1ccnn1[C@H](C)CC CCC[*:1] CC[C@@H](C)n1nccc1NC(=O)[*:1]
CCCC(=O)Nc1ccnn1[C@H](C)CC CC[C@@H](C)[*:1] CCCC(=O)Nc1ccnn1[*:1]
COc1cccc([C@@H](CNC(=O)Nc2ccc(C(N)=O)c(C)c2)[NH+](C)C)c1 COc1cccc(c1)[*:1] Cc1cc(ccc1C(N)=O)NC(=O)NC[C@@H]([NH+](C)C)[*:1]
COc1cccc([C@@H](CNC(=O)Nc2ccc(C(N)=O)c(C)c2)[NH+](C)C)c1 NC(=O)[*:1] COc1cccc(c1)[C@@H](CNC(=O)Nc1ccc(c(C)c1)[*:1])[NH+](C)C
Cc1nsnc1COc1cccc(C(=O)Nc2ccccc2Cl)c1 Cc1nsnc1C[*:1] O=C(Nc1ccccc1Cl)c1cccc(c1)O[*:1]
Cc1nsnc1COc1cccc(C(=O)Nc2ccccc2Cl)c1 Cc1nsnc1CO[*:1] O=C(Nc1ccccc1Cl)c1cccc(c1)[*:1]
Cc1nsnc1COc1cccc(C(=O)Nc2ccccc2Cl)c1 Cc1nsnc1[*:1] O=C(Nc1ccccc1Cl)c1cccc(c1)OC[*:1]
Cc1nsnc1COc1cccc(C(=O)Nc2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1nsnc1COc1cccc(c1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)Cc2c(F)cccc2Cl)on1 Cc1cc(on1)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1c(F)cccc1Cl
CCOc1c(OC)cc(C[NH+]2CCC(C3CCOCC3)CC2)cc1OC CCO[*:1] COc1cc(cc(OC)c1[*:1])C[NH+]1CCC(CC1)C1CCOCC1
CCOc1c(OC)cc(C[NH+]2CCC(C3CCOCC3)CC2)cc1OC C1CC(CCO1)[*:1] CCOc1c(cc(cc1OC)C[NH+]1CCC(CC1)[*:1])OC
CC[C@@H](C)n1cc(C=O)c(-c2ccc(C)c(F)c2)n1 CC[C@@H](C)[*:1] Cc1ccc(cc1F)-c1nn(cc1C=O)[*:1]
CCCCN(C)C(=O)OCCO CCC[*:1] CN(C[*:1])C(=O)OCCO
CCCCN(C)C(=O)OCCO CCCC[*:1] CN(C(=O)OCCO)[*:1]
CCCCN(C)C(=O)OCCO OCC[*:1] CCCCN(C)C(=O)O[*:1]
O=[S@@](Cc1ncn(-c2ccccc2)n1)c1ncccc1Cl Clc1cccnc1[*:1] O=[S@@](Cc1ncn(n1)-c1ccccc1)[*:1]
O=[S@@](Cc1ncn(-c2ccccc2)n1)c1ncccc1Cl c1ccc(cc1)[*:1] O=[S@@](Cc1ncn(n1)[*:1])c1ncccc1Cl
CCC[NH+]1CCCN(C(=O)NCCCn2cc(C)cn2)CC1 Cc1cnn(c1)[*:1] CCC[NH+]1CCCN(CC1)C(=O)NCCC[*:1]
CCC[NH+]1CCCN(C(=O)NCCCn2cc(C)cn2)CC1 Cc1cnn(c1)C[*:1] CCC[NH+]1CCCN(CC1)C(=O)NCC[*:1]
CCC[NH+]1CCCN(C(=O)NCCCn2cc(C)cn2)CC1 CCC[*:1] Cc1cnn(c1)CCCNC(=O)N1CCC[NH+](CC1)[*:1]
COc1ccc(-c2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n2[C@@H]2CCCC[C@H]2C)cc1 NC(=O)NC(=O)[*:1] COc1ccc(cc1)-c1nnc(S[C@H](C(C)C)[*:1])n1[C@@H]1CCCC[C@H]1C
COc1ccc(-c2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n2[C@@H]2CCCC[C@H]2C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](Sc1nnc(n1[C@@H]1CCCC[C@H]1C)[*:1])C(=O)NC(N)=O
COc1ccc(-c2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n2[C@@H]2CCCC[C@H]2C)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nnc(S[C@H](C(=O)NC(N)=O)[*:1])n1[C@@H]1CCCC[C@H]1C
C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1c(F)cccc1Cl N#Cc1ccccc1[*:1] C[C@H](O[*:1])C(=O)N[C@H](C)c1c(F)cccc1Cl
C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)[*:1]
N#C/C(=C/c1c(F)cccc1Cl)c1nn(-c2ccccc2)c(-n2cccc2)c1C#N Fc1cccc(Cl)c1[*:1] N#CC(=C[*:1])c1nn(-c2ccccc2)c(c1C#N)-n1cccc1
N#C/C(=C/c1c(F)cccc1Cl)c1nn(-c2ccccc2)c(-n2cccc2)c1C#N c1ccn(c1)[*:1] N#C/C(=C/c1c(F)cccc1Cl)c1nn(-c2ccccc2)c(c1C#N)[*:1]
N#C/C(=C/c1c(F)cccc1Cl)c1nn(-c2ccccc2)c(-n2cccc2)c1C#N c1ccc(cc1)[*:1] N#C/C(=C/c1c(F)cccc1Cl)c1nn(c(c1C#N)-n1cccc1)[*:1]
CCOc1ncccc1CNC(=O)NNC(=O)c1ccccc1Cl CCO[*:1] O=C(NCc1cccnc1[*:1])NNC(=O)c1ccccc1Cl
CCOc1ncccc1CNC(=O)NNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] CCOc1ncccc1CNC(=O)NNC(=O)[*:1]
COc1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cn1 CC(C)[*:1] COc1ccc(cn1)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C1C[C@@H](c2ccc(Cl)cc2)c2c(c3ccccc3oc2=O)O1 Clc1ccc(cc1)[*:1] O=C1C[C@@H](c2c(O1)c1ccccc1oc2=O)[*:1]
CN(C(=O)c1cccc(-c2nc(CCl)cs2)c1)C1CC1 C1CC1[*:1] CN(C(=O)c1cccc(c1)-c1nc(cs1)CCl)[*:1]
CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)c1cc(cc(c1)S(C)(=O)=O)[N+](=O)[O-])[C@H](C)[*:1]
CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H](C)c1ccc(F)cc1 CS(=O)(=O)[*:1] CCN(C(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-])[C@H](C)c1ccc(F)cc1
CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H](C)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] CCN(C(=O)c1cc(cc(c1)S(C)(=O)=O)[N+](=O)[O-])[*:1]
CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H](C)c1ccc(F)cc1 O=[N+]([O-])[*:1] CCN(C(=O)c1cc(cc(c1)[*:1])S(C)(=O)=O)[C@H](C)c1ccc(F)cc1
O=C([O-])C1(c2ccccc2)CCN(S(=O)(=O)c2cccs2)CC1 c1ccc(cc1)[*:1] O=C([O-])C1(CCN(CC1)S(=O)(=O)c1cccs1)[*:1]
O=C([O-])C1(c2ccccc2)CCN(S(=O)(=O)c2cccs2)CC1 O=C([O-])[*:1] O=S(=O)(c1cccs1)N1CCC(CC1)(c1ccccc1)[*:1]
O=C([O-])C1(c2ccccc2)CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C([O-])C1(CCN(CC1)S(=O)(=O)[*:1])c1ccccc1
CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CN1C(=O)c2ccccc2C1=O)[*:1]
Cc1ccccc1OC(=O)CCC(=O)c1ccc(F)cc1F Cc1ccccc1[*:1] O=C(CCC(=O)c1ccc(F)cc1F)O[*:1]
CS[C@H]1CC[C@@H](NC(=O)[C@H](NC(C)=O)C(C)C)C1 CC(=O)N[*:1] CS[C@H]1CC[C@H](C1)NC(=O)[C@H](C(C)C)[*:1]
CS[C@H]1CC[C@@H](NC(=O)[C@H](NC(C)=O)C(C)C)C1 CC(C)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)[C@H](NC(C)=O)[*:1]
CCC[C@H](Oc1ccccc1C(C)=O)C(=O)[O-] CCC[*:1] CC(=O)c1ccccc1O[C@H](C(=O)[O-])[*:1]
CCC[C@H](Oc1ccccc1C(C)=O)C(=O)[O-] O=C([O-])[*:1] CCC[C@H](Oc1ccccc1C(C)=O)[*:1]
CCC[C@H](Oc1ccccc1C(C)=O)C(=O)[O-] CC(=O)[*:1] CCC[C@H](Oc1ccccc1[*:1])C(=O)[O-]
CCCn1cc(NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)cn1 COC[*:1] CCCn1cc(cn1)NC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
CCCn1cc(NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)cn1 Fc1ccc(cc1F)[*:1] CCCn1cc(cn1)NC(=O)N[C@H](COC)[*:1]
CCCn1cc(NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)cn1 CCCn1cc(cn1)[*:1] COC[C@@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
CCCn1cc(NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)cn1 CCC[*:1] COC[C@@H](NC(=O)Nc1cnn(c1)[*:1])c1ccc(F)c(F)c1
Clc1ccc(Cc2nc(CSc3nnnn3Cc3ccco3)cs2)cc1 c1coc(c1)C[*:1] Clc1ccc(cc1)Cc1nc(cs1)CSc1nnnn1[*:1]
Clc1ccc(Cc2nc(CSc3nnnn3Cc3ccco3)cs2)cc1 Clc1ccc(cc1)C[*:1] c1coc(c1)Cn1nnnc1SCc1csc(n1)[*:1]
Clc1ccc(Cc2nc(CSc3nnnn3Cc3ccco3)cs2)cc1 Clc1ccc(cc1)[*:1] c1coc(c1)Cn1nnnc1SCc1csc(C[*:1])n1
Clc1ccc(Cc2nc(CSc3nnnn3Cc3ccco3)cs2)cc1 c1coc(c1)[*:1] Clc1ccc(cc1)Cc1nc(cs1)CSc1nnnn1C[*:1]
COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(cc1Cl)[*:1]
COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1Cl COC(=O)[*:1] O=C(Nc1ccc(cc1Cl)C(F)(F)F)N[C@@H]1CCC[C@H]1[*:1]
CCC[NH2+][C@@H]1CCC[C@H]([S@@](=O)Cc2cc(C)cc(C)c2)C1 CCC[*:1] Cc1cc(C)cc(c1)C[S@](=O)[C@H]1CCC[C@H](C1)[NH2+][*:1]
C[C@H]([NH3+])CC[C@@H]1CCO[C@]2(CCOC2)C1 C[C@H]([NH3+])C[*:1] C1C[C@]2(CO1)C[C@@H](CCO2)C[*:1]
C[C@H]([NH3+])CC[C@@H]1CCO[C@]2(CCOC2)C1 C[C@H]([NH3+])CC[*:1] C1C[C@]2(CO1)C[C@@H](CCO2)[*:1]
CC(C)(O)CC[NH+]1CCN(c2ccc(F)cc2)CC1 CC(C)(O)[*:1] Fc1ccc(cc1)N1CC[NH+](CC1)CC[*:1]
CC(C)(O)CC[NH+]1CCN(c2ccc(F)cc2)CC1 CC(C)(O)C[*:1] Fc1ccc(cc1)N1CC[NH+](CC1)C[*:1]
CC(C)(O)CC[NH+]1CCN(c2ccc(F)cc2)CC1 CC(C)(O)CC[*:1] Fc1ccc(cc1)N1CC[NH+](CC1)[*:1]
CCC[C@@H](C)/C([O-])=N/S(=O)(=O)c1ccc(C)cc1F CCC[*:1] Cc1ccc(c(F)c1)S(=O)(=O)/N=C(\[O-])[C@H](C)[*:1]
O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)Nc1ccc2c(c1)OCO2 Oc1ccc(cc1)C[*:1] O=C(C[NH+]1CCC(CC1)C[*:1])Nc1ccc2OCOc2c1
O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)N[*:1]
O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)Nc1ccc2c(c1)OCO2 Oc1ccc(cc1)CC[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1ccc2OCOc2c1
O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)Nc1ccc2c(c1)OCO2 Oc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)CC[*:1])Nc1ccc2OCOc2c1
COC(=O)CN(Cc1ccccc1Cl)Cc1[nH+]c(C)ccc1[O-] Clc1ccccc1[*:1] COC(=O)CN(Cc1[nH+]c(C)ccc1[O-])C[*:1]
COC(=O)CN(Cc1ccccc1Cl)Cc1[nH+]c(C)ccc1[O-] COC(=O)C[*:1] Cc1ccc([O-])c(CN(Cc2ccccc2Cl)[*:1])[nH+]1
COC(=O)CN(Cc1ccccc1Cl)Cc1[nH+]c(C)ccc1[O-] COC(=O)[*:1] Cc1ccc([O-])c(CN(Cc2ccccc2Cl)C[*:1])[nH+]1
CCn1cc(NC(=O)C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cn1 CCn1cc(cn1)[*:1] Cc1ccc(cc1C)C(=O)N1CCC(CC1)C(=O)N[*:1]
CCn1cc(NC(=O)C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cn1 Cc1ccc(cc1C)[*:1] CCn1cc(cn1)NC(=O)C1CCN(CC1)C(=O)[*:1]
COc1cc(CNC(=O)CCc2nc(C(C)(C)C)no2)ccn1 CC(C)(C)[*:1] COc1cc(ccn1)CNC(=O)CCc1nc(no1)[*:1]
CCCN(CCc1cccc(F)c1)C(=O)[C@H]1COCCO1 CCC[*:1] O=C([C@H]1COCCO1)N(CCc1cccc(F)c1)[*:1]
CCCN(CCc1cccc(F)c1)C(=O)[C@H]1COCCO1 Fc1cccc(c1)[*:1] CCCN(CC[*:1])C(=O)[C@H]1COCCO1
C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 C#CC[*:1] O=C(C[C@]1(O)C(=O)N(c2ccccc21)[*:1])c1ccc2CCCCc2c1
CC(C)(CCc1ccc(Cl)c2ccccc12)C(=O)[O-] O=C([O-])[*:1] CC(C)(CCc1ccc(Cl)c2ccccc12)[*:1]
CC(C)(CCc1ccc(Cl)c2ccccc12)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] Clc1ccc(CC[*:1])c2ccccc12
Cc1noc2c1-c1c(c(C(=O)[O-])nn1C)CC2 O=C([O-])[*:1] Cc1noc2CCc3c(nn(C)c3-c12)[*:1]
CC(C)N(CC#N)C(=O)c1ccnc(OC2CCC2)c1 N#CC[*:1] CC(C)N(C(=O)c1ccnc(c1)OC1CCC1)[*:1]
CC(C)N(CC#N)C(=O)c1ccnc(OC2CCC2)c1 CC(C)[*:1] N#CCN(C(=O)c1ccnc(c1)OC1CCC1)[*:1]
CC(C)N(CC#N)C(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] CC(C)N(CC#N)C(=O)c1ccnc(c1)[*:1]
CC(C)N(CC#N)C(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] CC(C)N(CC#N)C(=O)c1ccnc(c1)O[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)N(C)[C@@H](C)c3cccc(Cl)c3)ccc21 Clc1cccc(c1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N(C)[C@@H](C)[*:1]
CS(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)NCC3CC3)cn2)C1 O=C(NCC1CC1)[*:1] CS(=O)(=O)N1CCC[C@H](C1)c1ccc(cn1)[*:1]
CS(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)NCC3CC3)cn2)C1 C1CC1C[*:1] CS(=O)(=O)N1CCC[C@H](C1)c1ccc(cn1)C(=O)N[*:1]
CS(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)NCC3CC3)cn2)C1 C1CC1[*:1] CS(=O)(=O)N1CCC[C@H](C1)c1ccc(cn1)C(=O)NC[*:1]
Cc1sc(NC(=O)CN2CC[NH+](CCCO)CC2)c(C)c1C OCC[*:1] Cc1sc(NC(=O)CN2CC[NH+](CC2)C[*:1])c(C)c1C
Cc1sc(NC(=O)CN2CC[NH+](CCCO)CC2)c(C)c1C OCCC[*:1] Cc1sc(NC(=O)CN2CC[NH+](CC2)[*:1])c(C)c1C
CCNC(=O)Nc1ccc2c(c1)CN(CCCOC)C(=O)[C@@H](C)O2 CCNC(=O)N[*:1] COCCCN1Cc2cc(ccc2O[C@H](C)C1=O)[*:1]
CCNC(=O)Nc1ccc2c(c1)CN(CCCOC)C(=O)[C@@H](C)O2 COCCC[*:1] CCNC(=O)Nc1ccc2O[C@H](C)C(=O)N(Cc2c1)[*:1]
CCNC(=O)Nc1ccc2c(c1)CN(CCCOC)C(=O)[C@@H](C)O2 COC[*:1] CCNC(=O)Nc1ccc2O[C@H](C)C(=O)N(CC[*:1])Cc2c1
CCNC(=O)Nc1ccc2c(c1)CN(CCCOC)C(=O)[C@@H](C)O2 COCC[*:1] CCNC(=O)Nc1ccc2O[C@H](C)C(=O)N(Cc2c1)C[*:1]
Cc1nnc(COc2cccc(O[C@H](C)C(N)=O)c2)n1C1CC1 NC(=O)[*:1] Cc1nnc(COc2cccc(c2)O[C@H](C)[*:1])n1C1CC1
Cc1nnc(COc2cccc(O[C@H](C)C(N)=O)c2)n1C1CC1 C1CC1[*:1] Cc1nnc(COc2cccc(c2)O[C@H](C)C(N)=O)n1[*:1]
Cc1nnc(COc2cccc(O[C@H](C)C(N)=O)c2)n1C1CC1 C[C@H](C(N)=O)[*:1] Cc1nnc(COc2cccc(c2)O[*:1])n1C1CC1
Cc1nnc(COc2cccc(O[C@H](C)C(N)=O)c2)n1C1CC1 C[C@@H](O[*:1])C(N)=O Cc1nnc(COc2cccc(c2)[*:1])n1C1CC1
CS(=O)(=O)NCCCSCC(=O)N1CCCc2ccccc21 CS(=O)(=O)NCC[*:1] O=C(CSC[*:1])N1CCCc2ccccc21
CS(=O)(=O)NCCCSCC(=O)N1CCCc2ccccc21 CS(=O)(=O)NC[*:1] O=C(CSCC[*:1])N1CCCc2ccccc21
CS(=O)(=O)NCCCSCC(=O)N1CCCc2ccccc21 CS(=O)(=O)N[*:1] O=C(CSCCC[*:1])N1CCCc2ccccc21
CCOC(=O)C1CCN(C(=O)C[NH2+]C(C)(C)c2nccs2)CC1 CCOC(=O)[*:1] CC(C)([NH2+]CC(=O)N1CCC(CC1)[*:1])c1nccs1
CCOC(=O)C1CCN(C(=O)C[NH2+]C(C)(C)c2nccs2)CC1 c1csc(n1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)C[NH2+]C(C)(C)[*:1]
Cc1ccc(-c2nc(C#N)c(N3C[C@H](C)O[C@H](C)C3)o2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1oc(nc1C#N)[*:1]
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccnc(F)c1 C1CC1[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)[*:1])c1ccnc(F)c1
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccnc(F)c1 Fc1cc(ccn1)[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccnc(F)c1 FC(F)(F)[*:1] O=C(N[C@@H](c1cccc(c1)[*:1])C1CC1)c1ccnc(F)c1
CC(C)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)Nc1ccc(cc1)Oc1ccc(C#N)cc1)[*:1]
CC(C)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n(C)n1 N#Cc1ccc(cc1)O[*:1] CC(C)c1cc(C(=O)Nc2ccc(cc2)[*:1])n(C)n1
CC(C)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n(C)n1 N#Cc1ccc(cc1)[*:1] CC(C)c1cc(C(=O)Nc2ccc(cc2)O[*:1])n(C)n1
CC(C)c1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)n(C)n1 CC(C)c1cc(n(C)n1)[*:1] N#Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)[*:1]
CC(C)C[NH2+]C[C@@]1(S(C)(=O)=O)CCC[C@H]1C CC(C)C[*:1] C[C@@H]1CCC[C@@]1(C[NH2+][*:1])S(C)(=O)=O
CC(C)C[NH2+]C[C@@]1(S(C)(=O)=O)CCC[C@H]1C CS(=O)(=O)[*:1] CC(C)C[NH2+]C[C@]1(CCC[C@H]1C)[*:1]
CC(C)C[NH2+]C[C@@]1(S(C)(=O)=O)CCC[C@H]1C CC(C)[*:1] C[C@@H]1CCC[C@@]1(C[NH2+]C[*:1])S(C)(=O)=O
CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C CC(C)[*:1] CSc1nc(nc(C)c1C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C)[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CCC2 O=S(=O)(N1CCOCC1)[*:1] CCOC(=O)c1c(NC(=O)c2ccc(C)c(c2)[*:1])sc2CCCc21
CCOC(=O)c1c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CCC2 CCOC(=O)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1sc2CCCc2c1[*:1]
C[C@H]1CN(Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)CO1 CN(C)C(=O)S[*:1] C[C@H]1CN(Cc2cccc(c2)[*:1])[C@H](C)CO1
COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1-c1ccc(CO)o1 OCc1ccc(o1)[*:1] COc1cc(ccc1[*:1])NC(=O)/C=C/c1ccc(o1)-c1ccccc1
COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1-c1ccc(CO)o1 c1ccc(cc1)[*:1] COc1cc(ccc1-c1ccc(CO)o1)NC(=O)/C=C/c1ccc(o1)[*:1]
O=C(O[C@@H](c1ccccc1)c1nccs1)[C@@H]1CCCO1 c1csc(n1)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])[C@@H]1CCCO1
O=C(O[C@@H](c1ccccc1)c1nccs1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(O[C@@H](c1nccs1)[*:1])[C@@H]1CCCO1
O=C(O[C@@H](c1ccccc1)c1nccs1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(O[C@@H](c1ccccc1)c1nccs1)[*:1]
Cc1ccc(-n2nc(C(=O)NCc3ccco3)c3ncn(C)c(=O)c32)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)-n1nc(C(=O)N[*:1])c2ncn(C)c(=O)c21
Cc1ccc(-n2nc(C(=O)NCc3ccco3)c3ncn(C)c(=O)c32)cc1 O=C(NCc1ccco1)[*:1] Cc1ccc(cc1)-n1nc(c2ncn(C)c(=O)c21)[*:1]
Cc1ccc(-n2nc(C(=O)NCc3ccco3)c3ncn(C)c(=O)c32)cc1 Cc1ccc(cc1)[*:1] Cn1cnc2c(nn(c2c1=O)[*:1])C(=O)NCc1ccco1
Cc1ccc(-n2nc(C(=O)NCc3ccco3)c3ncn(C)c(=O)c32)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-n1nc(C(=O)NC[*:1])c2ncn(C)c(=O)c21
Cn1ncc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1-n1cccc1 FC(F)(F)[*:1] Cn1ncc(C(=O)Nc2ccc(cc2)[*:1])c1-n1cccc1
Cn1ncc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1-n1cccc1 c1ccn(c1)[*:1] Cn1ncc(C(=O)Nc2ccc(cc2)C(F)(F)F)c1[*:1]
O=C(NCc1ccccc1)N1CCN(Cc2cnc3ccccn23)CC1 c1ccc(cc1)[*:1] O=C(NC[*:1])N1CCN(CC1)Cc1cnc2ccccn12
O=C(NCc1ccccc1)N1CCN(Cc2cnc3ccccn23)CC1 c1ccc(cc1)C[*:1] O=C(N[*:1])N1CCN(CC1)Cc1cnc2ccccn12
Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]3[C@@H]2c2ccco2)cc1 Cc1ccc(cc1)[*:1] O=C1[C@@H]2ON([C@@H](c3ccco3)[C@H]2C(=O)N1c1ccc(cc1)C(F)(F)F)[*:1]
Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]3[C@@H]2c2ccco2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)N1O[C@H]2C(=O)N(C(=O)[C@@H]2[C@@H]1c1ccco1)c1ccc(cc1)[*:1]
Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]3[C@@H]2c2ccco2)cc1 FC(F)(F)c1ccc(cc1)[*:1] Cc1ccc(cc1)N1O[C@H]2C(=O)N(C(=O)[C@@H]2[C@@H]1c1ccco1)[*:1]
Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]3[C@@H]2c2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N1O[C@H]2C(=O)N(C(=O)[C@@H]2[C@H]1[*:1])c1ccc(cc1)C(F)(F)F
CCOC1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1 CCO[*:1] O=C(c1ccccc1OCc1ccccc1Cl)N1CCC(CC1)[*:1]
CCOC1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1 Clc1ccccc1[*:1] CCOC1CCN(CC1)C(=O)c1ccccc1OC[*:1]
CCOC1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1 Clc1ccccc1C[*:1] CCOC1CCN(CC1)C(=O)c1ccccc1O[*:1]
C[C@@H]1CN(C(=O)[C@H](C)c2cccc(F)c2)c2cc(F)ccc2C(=O)N1 Fc1cccc(c1)[*:1] C[C@@H]1CN(C(=O)[C@H](C)[*:1])c2cc(F)ccc2C(=O)N1
Cc1occc1C(=O)NC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 c1ccc(cc1)[*:1] Cc1occc1C(=O)NC1CC[NH+](CC1)Cc1nc(cs1)[*:1]
Cc1occc1C(=O)NC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 Cc1occc1C(=O)N[*:1] c1ccc(cc1)-c1csc(C[NH+]2CCC(CC2)[*:1])n1
Cc1occc1C(=O)NC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 Cc1occc1[*:1] O=C(NC1CC[NH+](CC1)Cc1nc(cs1)-c1ccccc1)[*:1]
Cc1cc(N2CCO[C@H](Cn3cccn3)C2)nc(N)n1 c1cnn(c1)C[*:1] Cc1cc(nc(N)n1)N1CCO[C@H](C1)[*:1]
Cc1cc(N2CCO[C@H](Cn3cccn3)C2)nc(N)n1 c1cnn(c1)[*:1] Cc1cc(nc(N)n1)N1CCO[C@@H](C1)C[*:1]
CC(C)[C@H](NC(=O)C[C@@H]1C=CCC1)C(=O)N1CCCC1 CC(C)[*:1] O=C(C[C@@H]1C=CCC1)N[C@H](C(=O)N1CCCC1)[*:1]
OCC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)C1CC1 OCC[*:1] C1CC1[C@@H]([NH2+][C@H]1CCN(C1)C1CC1)[*:1]
OCC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)C1CC1 C1CC1[*:1] OCC[C@H]([NH2+][C@H]1CCN(C1)[*:1])C1CC1
OCC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)C1CC1 C1CC1[*:1] OCC[C@H]([NH2+][C@H]1CCN(C1)C1CC1)[*:1]
Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1Br)NN=C[*:1]
CC1(C)C[C@H]1[NH2+]Cc1ccccc1C1CC1 C1CC1[*:1] CC1(C)C[C@H]1[NH2+]Cc1ccccc1[*:1]
Cc1ccc(Oc2ccc(NC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)cc2)cc1 Cc1ccc(cc1)O[*:1] O=C(CN1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1])N1CCCCC1
Cc1ccc(Oc2ccc(NC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)cc2)cc1 O=C(C[*:1])N1CCCCC1 Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
Cc1ccc(Oc2ccc(NC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)cc2)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)N1CCN(CC1)C[*:1]
Cc1ccc(Oc2ccc(NC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)Nc1ccc(cc1)O[*:1])N1CCCCC1
O=C(c1ccc2[nH]nnc2c1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 c1cc2[nH]nnc2cc1[*:1] O=C(N1CCCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
O=C(c1ccc2[nH]nnc2c1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C(c1ccc2[nH]nnc2c1)N1CCCN(CC1)c1ccc(cn1)[*:1]
COc1ccccc1O[C@@H](C)CNC(=O)Nc1cnccc1C Cc1ccncc1[*:1] COc1ccccc1O[C@@H](C)CNC(=O)N[*:1]
O=[N+]([O-])c1ccccc1/C=C/C[NH+](CCO)C1CCCC1 OCC[*:1] O=[N+]([O-])c1ccccc1/C=C/C[NH+](C1CCCC1)[*:1]
O=[N+]([O-])c1ccccc1/C=C/C[NH+](CCO)C1CCCC1 O=[N+]([O-])[*:1] OCC[NH+](C/C=C/c1ccccc1[*:1])C1CCCC1
O=[N+]([O-])c1ccccc1/C=C/C[NH+](CCO)C1CCCC1 C1CCC(C1)[*:1] O=[N+]([O-])c1ccccc1/C=C/C[NH+](CCO)[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(COC)on1 COC[*:1] CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(on1)[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(COC)on1 CCC[*:1] COCc1cc(no1)C(=O)N[C@H]1CCC[C@H]1C[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(COC)on1 CCCC[*:1] COCc1cc(no1)C(=O)N[C@H]1CCC[C@H]1[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCCn2cccc2)C1 CC[C@@H](C)[*:1] O=C(NCCn1cccc1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCCn2cccc2)C1 c1ccn(c1)C[*:1] CC[C@@H](C)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCCn2cccc2)C1 c1ccn(c1)[*:1] CC[C@@H](C)C(=O)N1CCC[C@H](C1)C(=O)NCC[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCCn2cccc2)C1 c1ccn(c1)CC[*:1] CC[C@@H](C)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
O=C(Nc1ccc(Cl)cc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(N[*:1])N(Cc1nc2CCCCCn2n1)c1ccc(F)cc1
O=C(Nc1ccc(Cl)cc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)N(Cc1nc2CCCCCn2n1)[*:1]
O=C1C2CN3CCN(C2)CC1(c1ccccc1)C3 c1ccc(cc1)[*:1] O=C1C2CN3CCN(C2)CC1(C3)[*:1]
C[C@H](CCn1cncn1)[NH2+]Cc1ccc([S@@](C)=O)cc1 c1ncn(C[*:1])n1 C[C@H](C[*:1])[NH2+]Cc1ccc(cc1)[S@@](C)=O
C[C@H](CCn1cncn1)[NH2+]Cc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] C[C@H](CCn1cncn1)[NH2+]Cc1ccc(cc1)[*:1]
C[C@H](CCn1cncn1)[NH2+]Cc1ccc([S@@](C)=O)cc1 c1ncn(n1)[*:1] C[C@H](CC[*:1])[NH2+]Cc1ccc(cc1)[S@@](C)=O
Fc1ccc(COC2CCN(c3ncccn3)CC2)cc1 Fc1ccc(cc1)[*:1] c1cnc(nc1)N1CCC(CC1)OC[*:1]
Fc1ccc(COC2CCN(c3ncccn3)CC2)cc1 c1cnc(nc1)[*:1] Fc1ccc(cc1)COC1CCN(CC1)[*:1]
Cc1ncc([C@@H](C)NCC2(c3ccccc3C)CC2)s1 Cc1ncc(s1)[*:1] Cc1ccccc1C1(CC1)CN[C@H](C)[*:1]
O=C1NCCN(Cc2ccc([N+](=O)[O-])o2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C1NCCN(Cc2ccc(o2)[N+](=O)[O-])[C@H]1[*:1]
O=C1NCCN(Cc2ccc([N+](=O)[O-])o2)[C@@H]1c1ccccc1 O=[N+]([O-])[*:1] O=C1NCCN(Cc2ccc(o2)[*:1])[C@@H]1c1ccccc1
Fc1ccc(-n2ncc(-c3nnnn3-c3ccc(Cl)cc3)c2C(F)(F)F)cc1 Clc1ccc(cc1)[*:1] Fc1ccc(cc1)-n1ncc(c1C(F)(F)F)-c1nnnn1[*:1]
Fc1ccc(-n2ncc(-c3nnnn3-c3ccc(Cl)cc3)c2C(F)(F)F)cc1 FC(F)(F)[*:1] Fc1ccc(cc1)-n1ncc(-c2nnnn2-c2ccc(Cl)cc2)c1[*:1]
Fc1ccc(-n2ncc(-c3nnnn3-c3ccc(Cl)cc3)c2C(F)(F)F)cc1 Fc1ccc(cc1)[*:1] FC(F)(F)c1c(cnn1[*:1])-c1nnnn1-c1ccc(Cl)cc1
Cc1nn(-c2ccccc2F)c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c12 FC(F)(F)[*:1] Cc1nn(-c2ccccc2F)c2nc(cc(c12)[*:1])-c1cnn(C)c1C
Cc1nn(-c2ccccc2F)c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c12 Cc1c(cnn1C)[*:1] Cc1nn(-c2ccccc2F)c2nc(cc(c12)C(F)(F)F)[*:1]
Cc1nn(-c2ccccc2F)c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c12 Fc1ccccc1[*:1] Cc1nn(c2nc(cc(c12)C(F)(F)F)-c1cnn(C)c1C)[*:1]
COc1ccc(C)cc1CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] COc1ccc(C)cc1CC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(C)cc1CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)C[*:1] COc1ccc(C)cc1CC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CN(C)C(=O)[C@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C CN(C)C(=O)[*:1] CC1(C)[C@]2(C)CC[C@@]1(c1nc3ccccc3nc12)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)NCCc2cn3ccccc3[nH+]2)CC1=O CCC[C@H](C)[*:1] O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1CC(=O)N(C1)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)NCCc2cn3ccccc3[nH+]2)CC1=O CCC[*:1] C[C@H](N1C[C@H](CC1=O)C(=O)NCCc1cn2ccccc2[nH+]1)[*:1]
CCC(CC)c1nnc(NC(=O)NCc2cnn(-c3ccccc3)c2)s1 c1ccc(cc1)[*:1] CCC(CC)c1nnc(NC(=O)NCc2cnn(c2)[*:1])s1
CCC(CC)c1nnc(NC(=O)NCc2cnn(-c3ccccc3)c2)s1 CCC(CC)[*:1] O=C(NCc1cnn(c1)-c1ccccc1)Nc1nnc(s1)[*:1]
CN(CCS(C)(=O)=O)c1nc(-c2ccccc2)nc2ccccc12 CS(=O)(=O)C[*:1] CN(C[*:1])c1nc(nc2ccccc12)-c1ccccc1
CN(CCS(C)(=O)=O)c1nc(-c2ccccc2)nc2ccccc12 CS(=O)(=O)[*:1] CN(CC[*:1])c1nc(nc2ccccc12)-c1ccccc1
CN(CCS(C)(=O)=O)c1nc(-c2ccccc2)nc2ccccc12 CN(CCS(C)(=O)=O)[*:1] c1ccc(cc1)-c1nc(c2ccccc2n1)[*:1]
CN(CCS(C)(=O)=O)c1nc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] CN(CCS(C)(=O)=O)c1nc(nc2ccccc12)[*:1]
CN(CCS(C)(=O)=O)c1nc(-c2ccccc2)nc2ccccc12 CS(=O)(=O)CC[*:1] CN(c1nc(nc2ccccc12)-c1ccccc1)[*:1]
COCC[NH+](Cc1ccccc1)Cc1ccon1 c1ccc(cc1)[*:1] COCC[NH+](Cc1ccon1)C[*:1]
COCC[NH+](Cc1ccccc1)Cc1ccon1 c1cc(C[*:1])no1 COCC[NH+](Cc1ccccc1)[*:1]
COCC[NH+](Cc1ccccc1)Cc1ccon1 COC[*:1] c1ccc(cc1)C[NH+](Cc1ccon1)C[*:1]
COCC[NH+](Cc1ccccc1)Cc1ccon1 COCC[*:1] c1ccc(cc1)C[NH+](Cc1ccon1)[*:1]
COCC[NH+](Cc1ccccc1)Cc1ccon1 c1cc(no1)[*:1] COCC[NH+](Cc1ccccc1)C[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1]
CCCCS(=O)(=O)N[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=S1(=O)CC[C@@H](C1)NS(=O)(=O)C[*:1]
CCCCS(=O)(=O)N[C@H]1CCS(=O)(=O)C1 CCCC[*:1] O=S1(=O)CC[C@@H](C1)NS(=O)(=O)[*:1]
C[NH+]1CCN(CCCNC(=O)c2cc(C3CC3)nc3ccccc23)CC1 C1CC1[*:1] C[NH+]1CCN(CCCNC(=O)c2cc(nc3ccccc23)[*:1])CC1
CCc1cnc([C@H](C)NC(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)s1 CCc1cnc(s1)[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)N[C@@H](C)[*:1]
CCc1cnc([C@H](C)NC(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)s1 CN(C)C(=O)[*:1] CCc1cnc(s1)[C@H](C)NC(=O)Nc1ccc(c(C)c1)[*:1]
Cc1nc(C2CCN(C(=O)N[C@@H](Cn3cncn3)c3ccccc3)CC2)no1 c1ncn(C[*:1])n1 Cc1nc(no1)C1CCN(CC1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1nc(C2CCN(C(=O)N[C@@H](Cn3cncn3)c3ccccc3)CC2)no1 c1ccc(cc1)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@@H](Cn1cncn1)[*:1]
Cc1nc(C2CCN(C(=O)N[C@@H](Cn3cncn3)c3ccccc3)CC2)no1 Cc1nc(no1)[*:1] O=C(N[C@@H](Cn1cncn1)c1ccccc1)N1CCC(CC1)[*:1]
Cc1nc(C2CCN(C(=O)N[C@@H](Cn3cncn3)c3ccccc3)CC2)no1 c1ncn(n1)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@@H](C[*:1])c1ccccc1
OCC#Cc1cc(F)cc(CSc2ncccc2Cl)c1 OCC#C[*:1] Fc1cc(cc(c1)[*:1])CSc1ncccc1Cl
COc1ccc(-c2ncc3c(n2)CCN(C(=O)C2CCCC2)C3)cc1 COc1ccc(cc1)[*:1] O=C(C1CCCC1)N1CCc2nc(ncc2C1)[*:1]
COc1ccc(-c2ncc3c(n2)CCN(C(=O)C2CCCC2)C3)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)-c1ncc2CN(CCc2n1)C(=O)[*:1]
Cn1ccs/c1=N\C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] Cn1ccs/c1=N\C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cn1ccs/c1=N\C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] Cn1ccs/c1=N\C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCCn1nc(CNC(=O)C2CC2)c2ccccc21 CCC[*:1] O=C(NCc1nn(c2ccccc12)[*:1])C1CC1
CCCn1nc(CNC(=O)C2CC2)c2ccccc21 O=C(N[*:1])C1CC1 CCCn1nc(C[*:1])c2ccccc21
CCCn1nc(CNC(=O)C2CC2)c2ccccc21 C1CC1[*:1] CCCn1nc(CNC(=O)[*:1])c2ccccc21
CCCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 CCCO[*:1] CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccccc1[*:1]
CCCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 CCC[*:1] CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccccc1O[*:1]
CCOC(=O)c1csc(NC(=O)/C=C(/C)c2ccccc2OC)n1 COc1ccccc1[*:1] CCOC(=O)c1csc(n1)NC(=O)C=C(C)[*:1]
CCOC(=O)c1csc(NC(=O)/C=C(/C)c2ccccc2OC)n1 CCOC(=O)[*:1] COc1ccccc1/C(C)=C\C(=O)Nc1nc(cs1)[*:1]
CCOc1cccc([C@@H]2NC(=O)c3oc4ccc(Cl)cc4c(=O)c32)c1 CCO[*:1] O=C1N[C@@H](c2cccc(c2)[*:1])c2c1oc1ccc(Cl)cc1c2=O
O=C([O-])[C@H]1C[C@H]1c1ccc(C2CC2)cc1 O=C([O-])[*:1] c1cc(ccc1C1CC1)[C@@H]1C[C@@H]1[*:1]
O=C([O-])[C@H]1C[C@H]1c1ccc(C2CC2)cc1 C1CC1[*:1] O=C([O-])[C@H]1C[C@H]1c1ccc(cc1)[*:1]
COc1cc([C@@H](O)[C@@H]2C[C@H]2C)ccc1Cl C[C@@H]1C[C@H]1[*:1] COc1cc(ccc1Cl)[C@@H](O)[*:1]
CCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c2ccccc2c1=O NC(=O)[*:1] CCCn1nc(C(=O)Nc2sc3C[C@H](C)CCc3c2[*:1])c2ccccc2c1=O
CCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c2ccccc2c1=O CCC[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)c1nn(c(=O)c3ccccc13)[*:1])c2C(N)=O
O=C(NCCn1cccc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 Fc1ccc(cc1)[*:1] O=C(NCCn1cccc1)NC[C@@H](N1CCOCC1)[*:1]
O=C(NCCn1cccc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 c1ccn(c1)[*:1] O=C(NCC[*:1])NC[C@@H](c1ccc(F)cc1)N1CCOCC1
O=C(NCCn1cccc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 c1ccn(c1)C[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)NC[*:1]
O=C(NCCn1cccc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(NCCn1cccc1)NC[C@@H](c1ccc(F)cc1)[*:1]
O=C(NCCn1cccc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 c1ccn(c1)CC[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)N[*:1]
CCO[C@@H]1C[C@H]1C(=O)N1CCC(Nc2cccc(OC)c2)CC1 CCO[*:1] COc1cccc(c1)NC1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
O=C1CCCN1C1CCN(S(=O)(=O)CC2CCC2)CC1 O=C1CCCN1[*:1] O=S(=O)(CC1CCC1)N1CCC(CC1)[*:1]
O=C1CCCN1C1CCN(S(=O)(=O)CC2CCC2)CC1 C1CC(C1)C[*:1] O=C1CCCN1C1CCN(CC1)S(=O)(=O)[*:1]
O=C1CCCN1C1CCN(S(=O)(=O)CC2CCC2)CC1 C1CC(C1)[*:1] O=C1CCCN1C1CCN(CC1)S(=O)(=O)C[*:1]
O=C(CCc1cccs1)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1csc(c1)CC[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)NC(=O)[*:1]
O=C(CCc1cccs1)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1csc(c1)[*:1] O=C(CC[*:1])N[C@@H]1CCCN(Cc2ccccc2)C1=O
O=C(CCc1cccs1)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1csc(c1)C[*:1] O=C(C[*:1])N[C@@H]1CCCN(Cc2ccccc2)C1=O
O=C(CCc1cccs1)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(CCc1cccs1)N[C@@H]1CCCN(C[*:1])C1=O
O=C(CCc1cccs1)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] O=C(CCc1cccs1)N[C@@H]1CCCN(C1=O)[*:1]
Cn1cc2c(n1)c(=O)n(Cc1ccc(Cl)cc1)c1nn(Cc3ccccc3)c(=O)n21 c1ccc(cc1)C[*:1] Cn1cc2c(n1)c(=O)n(Cc1ccc(Cl)cc1)c1nn(c(=O)n21)[*:1]
Cn1cc2c(n1)c(=O)n(Cc1ccc(Cl)cc1)c1nn(Cc3ccccc3)c(=O)n21 Clc1ccc(cc1)[*:1] Cn1cc2c(n1)c(=O)n(C[*:1])c1nn(Cc3ccccc3)c(=O)n21
Cn1cc2c(n1)c(=O)n(Cc1ccc(Cl)cc1)c1nn(Cc3ccccc3)c(=O)n21 Clc1ccc(cc1)C[*:1] Cn1cc2c(n1)c(=O)n(c1nn(Cc3ccccc3)c(=O)n21)[*:1]
Cn1cc2c(n1)c(=O)n(Cc1ccc(Cl)cc1)c1nn(Cc3ccccc3)c(=O)n21 c1ccc(cc1)[*:1] Cn1cc2c(n1)c(=O)n(Cc1ccc(Cl)cc1)c1nn(C[*:1])c(=O)n21
Cc1ccoc1[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1C(C)C Cc1ccoc1[*:1] CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)[*:1]
Cc1ccoc1[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1C(C)C CC(C)[*:1] Cc1ccoc1[C@H](C)[NH2+]C[C@H]1CCCO[C@H]1[*:1]
CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 CCOC(=O)[*:1] COc1cc(cc(OC)c1OC)[C@H]1C(=C(N)Oc2cc(C)[nH]c(=O)c21)[*:1]
CCC(CC)N(CCOC)C(=O)c1ccc2c(c1)CCN2 COC[*:1] CCC(CC)N(C[*:1])C(=O)c1ccc2NCCc2c1
CCC(CC)N(CCOC)C(=O)c1ccc2c(c1)CCN2 COCC[*:1] CCC(CC)N(C(=O)c1ccc2NCCc2c1)[*:1]
CCC(CC)N(CCOC)C(=O)c1ccc2c(c1)CCN2 CCC(CC)[*:1] COCCN(C(=O)c1ccc2NCCc2c1)[*:1]
Cc1cc(C)cc(NCc2ccc(C(=O)[O-])o2)c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)NCc1ccc(o1)[*:1]
CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 CC(C)[*:1] C[S@](=O)Cc1cc(ccc1Cl)NC(=O)CCn1cc[nH+]c1[*:1]
O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] O=C(NCCc1ccc(cc1)C(F)(F)F)NC[*:1]
O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1nnc2n1CCC2 FC(F)(F)[*:1] O=C(NCCc1ccc(cc1)[*:1])NCc1nnc2CCCn21
CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2N2CCCC2)C1 C1CCN(C1)[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccccc1[*:1]
CN(CCS(C)(=O)=O)C(=O)c1cc(N2CCCC2=O)ccc1Cl CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)c1cc(ccc1Cl)N1CCCC1=O
CN(CCS(C)(=O)=O)C(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CN(CCS(C)(=O)=O)C(=O)c1cc(ccc1Cl)[*:1]
CN(CCS(C)(=O)=O)C(=O)c1cc(N2CCCC2=O)ccc1Cl CS(=O)(=O)CC[*:1] CN(C(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
CN(CCS(C)(=O)=O)C(=O)c1cc(N2CCCC2=O)ccc1Cl CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)c1cc(ccc1Cl)N1CCCC1=O
CCN(CCc1nccs1)Cc1cc2cc(OC)ccc2o1 c1csc(CC[*:1])n1 CCN(Cc1cc2cc(ccc2o1)OC)[*:1]
CCN(CCc1nccs1)Cc1cc2cc(OC)ccc2o1 c1csc(n1)[*:1] CCN(CC[*:1])Cc1cc2cc(ccc2o1)OC
CCN(CCc1nccs1)Cc1cc2cc(OC)ccc2o1 c1csc(C[*:1])n1 CCN(Cc1cc2cc(ccc2o1)OC)C[*:1]
Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccccn2)c1N c1ccc(nc1)[*:1] Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)[*:1])c1N
Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccccn2)c1N Cc1cc(Cl)ccc1[*:1] Nc1c(ncnc1N[*:1])NNC(=O)c1ccccn1
CCOc1ccccc1CN1C(=O)[C@@](O)(CC(C)=O)c2ccccc21 CC(=O)[*:1] CCOc1ccccc1CN1C(=O)[C@@](O)(C[*:1])c2ccccc21
CCOc1ccccc1CN1C(=O)[C@@](O)(CC(C)=O)c2ccccc21 CCO[*:1] CC(=O)C[C@]1(O)C(=O)N(Cc2ccccc2[*:1])c2ccccc21
CCOc1ccccc1CN1C(=O)[C@@](O)(CC(C)=O)c2ccccc21 CC(=O)C[*:1] CCOc1ccccc1CN1C(=O)[C@@](O)(c2ccccc21)[*:1]
Cc1cc2c(cc1NC(=O)C[NH+]1CCC(Cc3ccccc3)CC1)OCO2 c1ccc(cc1)[*:1] Cc1cc2OCOc2cc1NC(=O)C[NH+]1CCC(CC1)C[*:1]
Cc1cc2c(cc1NC(=O)C[NH+]1CCC(Cc3ccccc3)CC1)OCO2 c1ccc(cc1)C[*:1] Cc1cc2OCOc2cc1NC(=O)C[NH+]1CCC(CC1)[*:1]
C[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cn1 NS(=O)(=O)[*:1] C[C@H](NCCc1ccc(cc1)[*:1])c1ccc(F)cn1
C[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H](NCCc1ccc(cc1)S(N)(=O)=O)[*:1]
C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(COC(C)(C)C)c1 CC(C)(C)O[*:1] C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(c1)C[*:1]
C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(COC(C)(C)C)c1 CC(C)(C)[*:1] C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(c1)CO[*:1]
C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(COC(C)(C)C)c1 CC(C)(C)OC[*:1] C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(c1)[*:1]
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1 CSC[*:1] O=C(N[C@@H](C[*:1])C(=O)Nc1ccncc1)c1ccc(Cl)cc1Cl
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1 Clc1ccc(c(Cl)c1)[*:1] CSCC[C@H](NC(=O)[*:1])C(=O)Nc1ccncc1
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[*:1]
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1 CSCC[*:1] O=C(N[C@H](C(=O)Nc1ccncc1)[*:1])c1ccc(Cl)cc1Cl
C[C@@H](O)c1ccn(Cc2nn(C)c3ccccc23)c1 C[C@@H](O)[*:1] Cn1nc(Cn2ccc(c2)[*:1])c2ccccc21
C[C@H](Cn1cccn1)NC(=O)[C@H]1CCC(=O)NC1 c1cnn(c1)[*:1] C[C@H](C[*:1])NC(=O)[C@H]1CCC(=O)NC1
C[C@H](Cn1cccn1)NC(=O)[C@H]1CCC(=O)NC1 c1cnn(c1)C[*:1] C[C@H](NC(=O)[C@H]1CCC(=O)NC1)[*:1]
O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 Clc1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cc(cc(c1)[*:1])C(F)(F)F
O=C(NCc1cccs1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 c1csc(c1)[*:1] O=C(NC[*:1])c1cc(-c2cccs2)n(n1)[C@@H]1CCS(=O)(=O)C1
O=C(NCc1cccs1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 c1csc(c1)C[*:1] O=C(N[*:1])c1cc(-c2cccs2)n(n1)[C@@H]1CCS(=O)(=O)C1
O=C(NCc1cccs1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 c1csc(c1)[*:1] O=C(NCc1cccs1)c1cc(n(n1)[C@@H]1CCS(=O)(=O)C1)[*:1]
CCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 CC1CCN(CC1)C(=O)[*:1] CCOc1ccc(Br)cc1C(=O)Nc1ccccc1[*:1]
CCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 CCO[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=O)c1cc(Br)ccc1[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)NCc2csc(N(C)C)n2)cc1 CN(C)[*:1] CC[C@H](C)c1ccc(cc1)S(=O)(=O)NCc1csc(n1)[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)NCc2csc(N(C)C)n2)cc1 CC[C@H](C)[*:1] CN(C)c1nc(cs1)CNS(=O)(=O)c1ccc(cc1)[*:1]
NC(=O)[C@@H]1CC(C(=O)Nc2ccc(Br)cc2Br)=NN1c1ccccc1 NC(=O)[*:1] O=C(Nc1ccc(Br)cc1Br)C1C[C@H](N(N=1)c1ccccc1)[*:1]
NC(=O)[C@@H]1CC(C(=O)Nc2ccc(Br)cc2Br)=NN1c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CC(=NN1[*:1])C(=O)Nc1ccc(Br)cc1Br
NC(=O)[C@@H]1CC(C(=O)Nc2ccc(Br)cc2Br)=NN1c1ccccc1 Brc1ccc(c(Br)c1)[*:1] NC(=O)[C@@H]1CC(=NN1c1ccccc1)C(=O)N[*:1]
O=C(c1cccnc1)N1CCC(c2nnc(-c3ccccn3)o2)CC1 c1ccc(nc1)[*:1] O=C(c1cccnc1)N1CCC(CC1)c1nnc(o1)[*:1]
O=C(c1cccnc1)N1CCC(c2nnc(-c3ccccn3)o2)CC1 c1cncc(c1)[*:1] O=C(N1CCC(CC1)c1nnc(o1)-c1ccccn1)[*:1]
COc1ccccc1[C@H]1CC(=O)NC(C)=C1C(=O)OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] COc1ccccc1[C@H]1CC(=O)NC(C)=C1C(=O)O[*:1]
COc1ccccc1[C@H]1CC(=O)NC(C)=C1C(=O)OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1ccccc1[C@H]1CC(=O)NC(C)=C1C(=O)OC[*:1]
COc1ccccc1[C@H]1CC(=O)NC(C)=C1C(=O)OC[C@@H]1CCCO1 COc1ccccc1[*:1] CC1NC(=O)C[C@@H](C=1C(=O)OC[C@@H]1CCCO1)[*:1]
Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(N)=O)c(Cl)c3N2)cc1 NC(=O)[*:1] Cc1ccc(cc1)[C@H]1C[C@@H](n2nc(c(Cl)c2N1)[*:1])C(F)(F)F
Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(N)=O)c(Cl)c3N2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@H]1C[C@H](n2nc(C(N)=O)c(Cl)c2N1)[*:1]
Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(N)=O)c(Cl)c3N2)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1nn2c(N[C@H](C[C@@H]2C(F)(F)F)[*:1])c1Cl
O=C(OCCCc1cccnc1)[C@@H]1Cc2ccccc2S1 c1cncc(c1)[*:1] O=C(OCCC[*:1])[C@@H]1Cc2ccccc2S1
O=C(OCCCc1cccnc1)[C@@H]1Cc2ccccc2S1 c1cncc(c1)C[*:1] O=C(OCC[*:1])[C@@H]1Cc2ccccc2S1
CCOc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1OC CCO[*:1] COc1ccc(cc1)[C@@H]1Oc2ccccc2C2N=C3N=CNN3[C@@H](C=21)c1ccc(c(c1)OC)[*:1]
CCOc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1OC COc1ccc(cc1)[*:1] CCOc1ccc(cc1OC)[C@@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@@H]2[*:1]
CCOc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1OC CCOc1ccc(cc1OC)[*:1] COc1ccc(cc1)[C@@H]1Oc2ccccc2C2N=C3N=CNN3[C@@H](C=21)[*:1]
c1cn(-c2ccc(C[NH+]3CCC(c4nc[nH]n4)CC3)cc2)cn1 c1nc(n[nH]1)[*:1] c1cn(cn1)-c1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
c1cn(-c2ccc(C[NH+]3CCC(c4nc[nH]n4)CC3)cc2)cn1 c1cn(cn1)[*:1] c1nc(n[nH]1)C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)c1cnn(C)c1 Clc1ccc(s1)[*:1] CC[C@H]([NH2+][C@H](C)[*:1])c1cnn(C)c1
CC[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)[*:1]
CC(C)(C)CNC(=O)C(C)(C)[NH2+]C1CCCC1 CC(C)(C)C[*:1] CC(C)([NH2+]C1CCCC1)C(=O)N[*:1]
CC(C)(C)CNC(=O)C(C)(C)[NH2+]C1CCCC1 C1CCC(C1)[*:1] CC(C)(C)CNC(=O)C(C)(C)[NH2+][*:1]
CC(C)(C)CNC(=O)C(C)(C)[NH2+]C1CCCC1 CC(C)(C)[*:1] CC(C)([NH2+]C1CCCC1)C(=O)NC[*:1]
CCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(C)no2)s1 CCC[*:1] Cc1cc(on1)[C@H]1CCCN1C(=O)c1sc(nc1C)[*:1]
CCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(C)no2)s1 Cc1cc(on1)[*:1] CCCc1nc(C)c(s1)C(=O)N1CCC[C@H]1[*:1]
CC[C@H](C(=O)N1CCN(Cc2ccccc2)c2ncccc21)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCN(C[*:1])c2ncccc21)c1ccccc1
CC[C@H](C(=O)N1CCN(Cc2ccccc2)c2ncccc21)c1ccccc1 c1ccc(cc1)C[*:1] CC[C@H](C(=O)N1CCN(c2ncccc21)[*:1])c1ccccc1
CC[C@H](C(=O)N1CCN(Cc2ccccc2)c2ncccc21)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCN(Cc2ccccc2)c2ncccc21)[*:1]
COc1cc(C)c(NC(=O)c2ccc(CNC(C)=O)cc2)cc1OC CC(=O)N[*:1] COc1cc(C)c(cc1OC)NC(=O)c1ccc(cc1)C[*:1]
COc1cc(C)c(NC(=O)c2ccc(CNC(C)=O)cc2)cc1OC CC(=O)NC[*:1] COc1cc(C)c(cc1OC)NC(=O)c1ccc(cc1)[*:1]
O=C(NC1CCN(C(=O)NCCC2CCCCC2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCC1CCCCC1)N1CCC(CC1)NC(=O)[*:1]
O=C(NC1CCN(C(=O)NCCC2CCCCC2)CC1)c1ccccc1 C1CCC(CC1)CC[*:1] O=C(NC1CCN(CC1)C(=O)N[*:1])c1ccccc1
O=C(NC1CCN(C(=O)NCCC2CCCCC2)CC1)c1ccccc1 C1CCC(CC1)[*:1] O=C(NC1CCN(CC1)C(=O)NCC[*:1])c1ccccc1
O=C(NC1CCN(C(=O)NCCC2CCCCC2)CC1)c1ccccc1 C1CCC(CC1)C[*:1] O=C(NC1CCN(CC1)C(=O)NC[*:1])c1ccccc1
Cc1cccc(NC(=O)[C@@H](C)OC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 Cc1cccc(c1)NC(=O)[*:1] C[C@@H](OC(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1)[*:1]
Cc1cccc(NC(=O)[C@@H](C)OC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 Cc1cccc(c1)[*:1] C[C@@H](OC(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1)C(=O)N[*:1]
O=C(NCCn1cccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 c1ccn(c1)CC[*:1] O=C(N[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
O=C(NCCn1cccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 c1ccn(c1)[*:1] O=C(NCC[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
O=C(NCCn1cccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 c1ccn(c1)C[*:1] O=C(NC[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
O=C(NCCn1cccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(NCCn1cccc1)N1CCO[C@@H](C1)[*:1]
CCNC(=O)C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1[O-] O=[N+]([O-])[*:1] CCNC(=O)C(=O)N/N=C\c1cc(ccc1[O-])[*:1]
C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)c1ccc(cc1)[*:1] C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 Fc1ccc(cc1F)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F
COC(=O)c1c2ccccc2cc[n+]1C COC(=O)[*:1] C[n+]1ccc2ccccc2c1[*:1]
Cc1cc(N[C@@H]2C[C@H]2c2ccccc2)[nH+]cc1N c1ccc(cc1)[*:1] Cc1cc(N[C@@H]2C[C@@H]2[*:1])[nH+]cc1N
Cc1cc(NC(=O)[C@H](C)c2cccs2)n(C)n1 c1csc(c1)[*:1] Cc1cc(NC(=O)[C@H](C)[*:1])n(C)n1
Cc1c[nH+]ccc1N[C@@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] Cc1c[nH+]ccc1N[C@@H]1C=C[C@@H](C1)[*:1]
Fc1ccc([C@H]2CN(Cc3cnc4ccsc4c3)CCO2)cc1F Fc1ccc(cc1F)[*:1] c1cc2ncc(cc2s1)CN1CCO[C@H](C1)[*:1]
CCCN1CCC[NH+](Cc2cccc3cn[nH]c23)CC1 CCC[*:1] c1cc(C[NH+]2CCCN(CC2)[*:1])c2[nH]ncc2c1
C[C@H](c1cccnc1)N1CCN(C(=O)c2ccncc2Cl)CC1 c1cncc(c1)[*:1] C[C@H](N1CCN(CC1)C(=O)c1ccncc1Cl)[*:1]
C[C@H](c1cccnc1)N1CCN(C(=O)c2ccncc2Cl)CC1 Clc1cnccc1[*:1] C[C@H](c1cccnc1)N1CCN(CC1)C(=O)[*:1]
CCn1c(C)c(/C=C/c2cc[n+](C)cc2)c2cc(OC)ccc21 C[n+]1ccc(cc1)[*:1] CCn1c(C)c(C=C[*:1])c2cc(ccc21)OC
COCCC[n+]1c(N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc21 C1CO[C@H](C1)C[*:1] COCCC[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)C(=O)N[*:1]
COCCC[n+]1c(N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc21 COCC[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1C[*:1])C(=O)NC[C@H]1CCCO1
COCCC[n+]1c(N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc21 O=C(NC[C@H]1CCCO1)[*:1] COCCC[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)[*:1]
COCCC[n+]1c(N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc21 COC[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1CC[*:1])C(=O)NC[C@H]1CCCO1
COCCC[n+]1c(N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc21 COCCC[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1[*:1])C(=O)NC[C@H]1CCCO1
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](C1CC1)[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](c1ccccc1)C1CC1 Cc1n[nH]c(C)c1[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC[C@@H]1[*:1]
C[C@H](CO)[C@H](C)Nc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 c1cnc(cn1)[*:1] C[C@H](CO)[C@H](C)Nc1nc(nc2sc3CCCCc3c12)[*:1]
O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccncc1 Fc1ccccc1[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N[*:1])c1ccncc1
O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)Nc1ccccc1F)[*:1]
Cc1ccc(-c2nc(N3CCCC3)ncc2-c2cc(C)no2)cn1 Cc1cc(on1)[*:1] Cc1ccc(cn1)-c1nc(ncc1[*:1])N1CCCC1
Cc1ccc(-c2nc(N3CCCC3)ncc2-c2cc(C)no2)cn1 C1CCN(C1)[*:1] Cc1ccc(cn1)-c1nc(ncc1-c1cc(C)no1)[*:1]
Cc1ccc(-c2nc(N3CCCC3)ncc2-c2cc(C)no2)cn1 Cc1ccc(cn1)[*:1] Cc1cc(on1)-c1cnc(nc1[*:1])N1CCCC1
CC#C[C@@]1(O)CC[C@H]2[C@H]3CC[C@]4(O)CC5(CC[C@@]4(OC)C3=CC[C@]21C)OCCO5 CC#C[*:1] CO[C@@]12CCC3(C[C@@]1(O)CC[C@H]1C2=CC[C@]2(C)[C@H]1CC[C@@]2(O)[*:1])OCCO3
COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)NCc2ccc3CCN(C(=O)[*:1])c3c2)c(c1)OC
COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(NCc1ccc2CCN(C(=O)c3ccccc3)c2c1)N[*:1]
CC(C)(C)c1noc(-c2ccc(Cl)cn2)n1 CC(C)(C)[*:1] Clc1ccc(nc1)-c1nc(no1)[*:1]
O=C(CCC(F)(F)F)NCc1ccccc1Oc1ccccc1 FC(F)(F)CC[*:1] O=C(NCc1ccccc1Oc1ccccc1)[*:1]
O=C(CCC(F)(F)F)NCc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(CCC(F)(F)F)NCc1ccccc1O[*:1]
O=C(CCC(F)(F)F)NCc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(CCC(F)(F)F)NCc1ccccc1[*:1]
O=C(CCC(F)(F)F)NCc1ccccc1Oc1ccccc1 FC(F)(F)[*:1] O=C(CC[*:1])NCc1ccccc1Oc1ccccc1
O=C(CCC(F)(F)F)NCc1ccccc1Oc1ccccc1 FC(F)(F)C[*:1] O=C(C[*:1])NCc1ccccc1Oc1ccccc1
O=C(Cn1cccn1)NCc1nnc(-c2nccc3ccccc23)o1 c1cnn(c1)C[*:1] O=C(NCc1nnc(o1)-c1nccc2ccccc12)[*:1]
O=C(Cn1cccn1)NCc1nnc(-c2nccc3ccccc23)o1 c1cnn(c1)[*:1] O=C(C[*:1])NCc1nnc(o1)-c1nccc2ccccc12
COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)[NH+]1CCCC1 COc1ccccc1[*:1] O=S(=O)(NC[C@@H]([NH+]1CCCC1)[*:1])c1ccc2CCCCc2c1
Cc1ccc(OCC(=O)NCCc2nc(-c3ccc(C)cc3)no2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)OCC(=O)NCCc1nc(no1)[*:1]
Cc1ccc(OCC(=O)NCCc2nc(-c3ccc(C)cc3)no2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(CCNC(=O)CO[*:1])n1
Cc1ccc(OCC(=O)NCCc2nc(-c3ccc(C)cc3)no2)cc1 Cc1ccc(cc1)O[*:1] Cc1ccc(cc1)-c1noc(CCNC(=O)C[*:1])n1
COC[C@H](O)CN(C)C(=O)Nc1nn(-c2ccccc2Cl)cc1C COC[*:1] Cc1cn(nc1NC(=O)N(C)C[C@@H](O)[*:1])-c1ccccc1Cl
COC[C@H](O)CN(C)C(=O)Nc1nn(-c2ccccc2Cl)cc1C Clc1ccccc1[*:1] COC[C@H](O)CN(C)C(=O)Nc1nn(cc1C)[*:1]
CCOC(=O)[C@]1([NH2+]C)CCC[C@@H](Sc2ccncc2)C1 CCOC(=O)[*:1] C[NH2+][C@@]1(CCC[C@H](C1)Sc1ccncc1)[*:1]
CCOC(=O)[C@]1([NH2+]C)CCC[C@@H](Sc2ccncc2)C1 c1cc(ccn1)[*:1] CCOC(=O)[C@@]1(CCC[C@H](C1)S[*:1])[NH2+]C
COc1cccc(/C=C/C(=O)NC[C@@H]2COc3ccccc3O2)c1 COc1cccc(c1)[*:1] O=C(C=C[*:1])NC[C@@H]1COc2ccccc2O1
O=C(CN1CCN(Cc2c(Cl)nc3sccn23)CC1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN1CCN(CC1)Cc1c(Cl)nc2sccn12)N[*:1]
Cc1ccc(/C=C/CC(=O)NNC(=O)c2ccc(C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)NNC(=O)CC=C[*:1]
Cc1ccc(/C=C/CC(=O)NNC(=O)c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] Cc1ccc(/C=C/CC(=O)NNC(=O)[*:1])cc1
CCn1c(C)cc(C(=O)COC(=O)c2ccccc2Br)c1C Brc1ccccc1[*:1] CCn1c(C)cc(C(=O)COC(=O)[*:1])c1C
COc1ccc(C)cc1C(=O)N1CSC[C@H]1C(=O)[O-] O=C([O-])[*:1] COc1ccc(C)cc1C(=O)N1CSC[C@@H]1[*:1]
Cc1cc(C(F)(F)F)c2c(N)nn(C(=O)C3=Cc4ccccc4OC3)c2n1 FC(F)(F)[*:1] Cc1cc(c2c(N)nn(C(=O)C3=Cc4ccccc4OC3)c2n1)[*:1]
CCc1nc(CC)n([C@H]2CC[C@@]([NH2+]C3CC3)(C(N)=O)C2)n1 C1CC1[*:1] CCc1nc(CC)n(n1)[C@H]1CC[C@@](C1)([NH2+][*:1])C(N)=O
CCc1nc(CC)n([C@H]2CC[C@@]([NH2+]C3CC3)(C(N)=O)C2)n1 NC(=O)[*:1] CCc1nc(CC)n(n1)[C@H]1CC[C@](C1)([NH2+]C1CC1)[*:1]
CC(C)c1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)c2cc(C(C)C)[nH]n2)n[nH]1 CC(C)c1cc(n[nH]1)[*:1] CC(C)c1cc(n[nH]1)C(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C(=O)[*:1]
CC(C)c1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)c2cc(C(C)C)[nH]n2)n[nH]1 CC(C)[*:1] CC(C)c1cc(n[nH]1)C(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc([nH]n1)[*:1]
CC(C)n1ncc2c1[NH2+]C([O-])=C([N+](=O)[O-])[C@H]2c1ccc(F)cc1 CC(C)[*:1] O=[N+]([O-])C1=C([O-])[NH2+]c2c(cnn2[*:1])[C@@H]1c1ccc(F)cc1
CC(C)n1ncc2c1[NH2+]C([O-])=C([N+](=O)[O-])[C@H]2c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)n1ncc2c1[NH2+]C([O-])=C([C@@H]2[*:1])[N+](=O)[O-]
CC(C)n1ncc2c1[NH2+]C([O-])=C([N+](=O)[O-])[C@H]2c1ccc(F)cc1 O=[N+]([O-])[*:1] CC(C)n1ncc2c1[NH2+]C([O-])=C([C@H]2c1ccc(F)cc1)[*:1]
Cc1ncsc1C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] Cc1ncsc1C(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
Cc1ncsc1C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] Cc1ncsc1[*:1] O=C([O-])[C@@H]1CCCCC[C@H]1NC(=O)[*:1]
Cc1ncsc1CN(Cc1ccccc1)C(=O)C1=NNC(=O)CC1 c1ccc(cc1)C[*:1] Cc1ncsc1CN(C(=O)C1CCC(=O)NN=1)[*:1]
Cc1ncsc1CN(Cc1ccccc1)C(=O)C1=NNC(=O)CC1 Cc1ncsc1C[*:1] O=C1CCC(=NN1)C(=O)N(Cc1ccccc1)[*:1]
Cc1ncsc1CN(Cc1ccccc1)C(=O)C1=NNC(=O)CC1 c1ccc(cc1)[*:1] Cc1ncsc1CN(C[*:1])C(=O)C1CCC(=O)NN=1
Cc1ncsc1CN(Cc1ccccc1)C(=O)C1=NNC(=O)CC1 Cc1ncsc1[*:1] O=C1CCC(=NN1)C(=O)N(Cc1ccccc1)C[*:1]
C[C@H]1CCCC[C@@H]1CNC(=O)c1cscn1 c1nc(cs1)[*:1] C[C@H]1CCCC[C@@H]1CNC(=O)[*:1]
CC(C)CO[C@@H](C)/C(N)=N/O CC(C)[*:1] C[C@H](OC[*:1])/C(N)=N/O
COc1ccc2oc(C(=O)NNc3ccc(F)cc3)c(C)c2c1 Fc1ccc(cc1)[*:1] COc1ccc2oc(C(=O)NN[*:1])c(C)c2c1
Cc1cc(F)cc(-n2nc(C(=O)[O-])c3c2CC[C@H](C)C3)c1 O=C([O-])[*:1] Cc1cc(F)cc(c1)-n1nc(c2C[C@@H](C)CCc21)[*:1]
C[C@@H](C#N)CN(C)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 C[C@@H](C#N)C[*:1] CN(C(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
C[C@@H](C#N)CN(C)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 C[C@@H](C#N)[*:1] CN(C[*:1])C(=O)[C@H]1C=C[C@@H]([NH3+])C1
CC[NH+](CC)[C@@H](CN/C=C1/C(=O)NC(=O)c2ccccc21)c1ccsc1 c1cc(cs1)[*:1] CC[NH+](CC)[C@@H](CN/C=C1/C(=O)NC(=O)c2ccccc21)[*:1]
COC(=O)COc1cccc(CNC(=O)C#Cc2ccccc2)c1 COC(=O)CO[*:1] O=C(C#Cc1ccccc1)NCc1cccc(c1)[*:1]
COC(=O)COc1cccc(CNC(=O)C#Cc2ccccc2)c1 c1ccc(cc1)[*:1] COC(=O)COc1cccc(c1)CNC(=O)C#C[*:1]
COC(=O)COc1cccc(CNC(=O)C#Cc2ccccc2)c1 COC(=O)[*:1] O=C(C#Cc1ccccc1)NCc1cccc(c1)OC[*:1]
COC(=O)COc1cccc(CNC(=O)C#Cc2ccccc2)c1 C(#C[*:1])c1ccccc1 COC(=O)COc1cccc(c1)CNC(=O)[*:1]
COC(=O)COc1cccc(CNC(=O)C#Cc2ccccc2)c1 COC(=O)C[*:1] O=C(C#Cc1ccccc1)NCc1cccc(c1)O[*:1]
Cc1nc(COc2ccc(CN3CCC[C@@H](c4nncn4C)C3)cc2)no1 Cc1nc(C[*:1])no1 Cn1cnnc1[C@@H]1CCCN(Cc2ccc(cc2)O[*:1])C1
Cc1nc(COc2ccc(CN3CCC[C@@H](c4nncn4C)C3)cc2)no1 Cc1nc(no1)[*:1] Cn1cnnc1[C@@H]1CCCN(Cc2ccc(cc2)OC[*:1])C1
Cc1nc(COc2ccc(CN3CCC[C@@H](c4nncn4C)C3)cc2)no1 Cn1cnnc1[*:1] Cc1nc(COc2ccc(cc2)CN2CCC[C@@H](C2)[*:1])no1
Cc1nc(COc2ccc(CN3CCC[C@@H](c4nncn4C)C3)cc2)no1 Cc1nc(CO[*:1])no1 Cn1cnnc1[C@@H]1CCCN(Cc2ccc(cc2)[*:1])C1
CC(C)Oc1ccc(-c2nc(C(=O)N(C)C(C)C)cs2)cc1 CC(C)N(C)C(=O)[*:1] CC(C)Oc1ccc(cc1)-c1nc(cs1)[*:1]
CC(C)Oc1ccc(-c2nc(C(=O)N(C)C(C)C)cs2)cc1 CC(C)[*:1] CC(C)N(C)C(=O)c1csc(n1)-c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(-c2nc(C(=O)N(C)C(C)C)cs2)cc1 CC(C)[*:1] CC(C)Oc1ccc(cc1)-c1nc(cs1)C(=O)N(C)[*:1]
CC(C)Oc1ccc(-c2nc(C(=O)N(C)C(C)C)cs2)cc1 CC(C)O[*:1] CC(C)N(C)C(=O)c1csc(n1)-c1ccc(cc1)[*:1]
O=C1CC[C@@H](C(=O)NCCc2cc(Cl)cc(Cl)c2)O1 O=C1CC[C@@H](O1)[*:1] O=C(NCCc1cc(Cl)cc(Cl)c1)[*:1]
Cc1cc(C)nc(Nc2nc(-c3ccc(NC(=O)NC4CCCCC4)cc3)n[nH]2)n1 Cc1cc(C)nc(n1)N[*:1] O=C(Nc1ccc(cc1)-c1n[nH]c(n1)[*:1])NC1CCCCC1
Cc1cc(C)nc(Nc2nc(-c3ccc(NC(=O)NC4CCCCC4)cc3)n[nH]2)n1 O=C(NC1CCCCC1)N[*:1] Cc1cc(C)nc(n1)Nc1nc(n[nH]1)-c1ccc(cc1)[*:1]
Cc1cc(C)nc(Nc2nc(-c3ccc(NC(=O)NC4CCCCC4)cc3)n[nH]2)n1 Cc1cc(C)nc(n1)[*:1] O=C(Nc1ccc(cc1)-c1n[nH]c(n1)N[*:1])NC1CCCCC1
Cc1cc(C)nc(Nc2nc(-c3ccc(NC(=O)NC4CCCCC4)cc3)n[nH]2)n1 C1CCC(CC1)[*:1] Cc1cc(C)nc(n1)Nc1nc(n[nH]1)-c1ccc(cc1)NC(=O)N[*:1]
CC[C@H](CC(N)=S)[NH+]1CCN(c2nccs2)CC1 c1csc(n1)[*:1] CC[C@H](CC(N)=S)[NH+]1CCN(CC1)[*:1]
CC[C@H](CC(N)=S)[NH+]1CCN(c2nccs2)CC1 NC(=S)[*:1] CC[C@H](C[*:1])[NH+]1CCN(CC1)c1nccs1
CC[C@H](CC(N)=S)[NH+]1CCN(c2nccs2)CC1 NC(=S)C[*:1] CC[C@H]([NH+]1CCN(CC1)c1nccs1)[*:1]
Clc1ccc(Cl)c(NCC[NH2+]C2CCCCC2)c1 C1CCC(CC1)[*:1] Clc1ccc(Cl)c(c1)NCC[NH2+][*:1]
N#CCN1CCN(Cc2ccc(O)c(Cl)c2)CC1 N#CC[*:1] Oc1ccc(cc1Cl)CN1CCN(CC1)[*:1]
O=C([O-])c1nc(/N=C/c2cccc([N+](=O)[O-])c2)n[nH]1 O=C([O-])[*:1] O=[N+]([O-])c1cccc(/C=N/c2n[nH]c(n2)[*:1])c1
O=C([O-])c1nc(/N=C/c2cccc([N+](=O)[O-])c2)n[nH]1 O=[N+]([O-])[*:1] O=C([O-])c1nc(/N=C/c2cccc(c2)[*:1])n[nH]1
CNC(=O)CC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 CNC(=O)[*:1] O=C(c1cc([nH]n1)C1CC1)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 CNC(=O)C[*:1] O=C(c1cc([nH]n1)C1CC1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 C1CC1[*:1] CNC(=O)CC1CCN(CC1)C(=O)c1cc([nH]n1)[*:1]
COC[C@@H](O)CN(C)C(=O)Nc1ccccc1 COC[*:1] CN(C[C@H](O)[*:1])C(=O)Nc1ccccc1
COC[C@@H](O)CN(C)C(=O)Nc1ccccc1 COC[C@@H](O)[*:1] CN(C[*:1])C(=O)Nc1ccccc1
C=CCC[C@H]([NH2+]CC)C1([NH+]2CCCCC2)CCCC1 C=CCC[*:1] CC[NH2+][C@H](C1(CCCC1)[NH+]1CCCCC1)[*:1]
C=CCC[C@H]([NH2+]CC)C1([NH+]2CCCCC2)CCCC1 C=CC[*:1] CC[NH2+][C@@H](C[*:1])C1(CCCC1)[NH+]1CCCCC1
Cc1sc(NC(=O)CN2CCCCCC2=O)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)CN1CCCCCC1=O
Cc1sc(NC(=O)CN2CCCCCC2=O)nc1-c1ccc(F)cc1 O=C1CCCCCN1[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)C[*:1]
Cc1ncc(CNC(=O)N2CCN(c3cc(F)ccc3F)CC2)s1 Cc1ncc(s1)[*:1] O=C(NC[*:1])N1CCN(CC1)c1cc(F)ccc1F
Cc1ncc(CNC(=O)N2CCN(c3cc(F)ccc3F)CC2)s1 Fc1ccc(F)c(c1)[*:1] Cc1ncc(CNC(=O)N2CCN(CC2)[*:1])s1
Cc1ncc(CNC(=O)N2CCN(c3cc(F)ccc3F)CC2)s1 Cc1ncc(C[*:1])s1 O=C(N[*:1])N1CCN(CC1)c1cc(F)ccc1F
CN(C)c1nc2c(Br)cccc2s1 CN(C)[*:1] Brc1cccc2sc(nc12)[*:1]
COC(=O)c1ccccc1N(C)c1nc[nH+]c(Nc2ccc(F)cc2)c1N COC(=O)[*:1] CN(c1ccccc1[*:1])c1nc[nH+]c(Nc2ccc(F)cc2)c1N
COC(=O)c1ccccc1N(C)c1nc[nH+]c(Nc2ccc(F)cc2)c1N Fc1ccc(cc1)[*:1] COC(=O)c1ccccc1N(C)c1nc[nH+]c(N[*:1])c1N
COC(=O)c1ccccc1N(C)c1nc[nH+]c(Nc2ccc(F)cc2)c1N Fc1ccc(cc1)N[*:1] COC(=O)c1ccccc1N(C)c1nc[nH+]c(c1N)[*:1]
C=CCn1c(SCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)nc2cc(Cl)ccc2c1=O C=CC[*:1] C[C@@H]1CCC[C@H](NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2[*:1])[C@@H]1C
O=C([C@H]1CCCO1)N1CCN(C(=S)NCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C([C@H]1CCCO1)N1CCN(CC1)C(=S)N[*:1]
O=C([C@H]1CCCO1)N1CCN(C(=S)NCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@H]1CCCO1)N1CCN(CC1)C(=S)NC[*:1]
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCn2ccnn2)cc1Cl c1cn(nn1)[*:1] N#C[C@H](c1ccccc1)c1ccc(cc1Cl)NC(=O)CCC[*:1]
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCn2ccnn2)cc1Cl c1cn(CC[*:1])nn1 N#C[C@H](c1ccccc1)c1ccc(cc1Cl)NC(=O)C[*:1]
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCn2ccnn2)cc1Cl c1cn(CCC[*:1])nn1 N#C[C@H](c1ccccc1)c1ccc(cc1Cl)NC(=O)[*:1]
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCn2ccnn2)cc1Cl c1ccc(cc1)[*:1] N#C[C@H](c1ccc(cc1Cl)NC(=O)CCCn1ccnn1)[*:1]
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCn2ccnn2)cc1Cl c1cn(C[*:1])nn1 N#C[C@H](c1ccccc1)c1ccc(cc1Cl)NC(=O)CC[*:1]
N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCCn2ccnn2)cc1Cl N#C[C@H](c1ccccc1)[*:1] O=C(CCCn1ccnn1)Nc1ccc(c(Cl)c1)[*:1]
Cc1ccc(C)c(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)CS(=O)(=O)c1ccc(cc1)[*:1]
CC[C@H](C)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[n+]1c(cc(cc1-c1ccccc1)[*:1])-c1ccccc1
CC[C@H](C)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[n+]1c(cc(cc1[*:1])-c1ccccc1)-c1ccccc1
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl FC(F)(F)[*:1] O=[N+]([O-])c1cc(cc(c1Cl)[N+](=O)[O-])[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(cc(c1Cl)[*:1])C(F)(F)F
CN(Cc1cccc(Cl)c1)C(=O)c1cccc2ncccc12 Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)c1cccc2ncccc12
COc1ccccc1[C@H]1CCCN1c1nc2ccccn2c1[N+](=O)[O-] COc1ccccc1[*:1] O=[N+]([O-])c1c(nc2ccccn12)N1CCC[C@@H]1[*:1]
COc1ccccc1[C@H]1CCCN1c1nc2ccccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1[C@H]1CCCN1c1nc2ccccn2c1[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 C[C@@H](c1cccnc1)[*:1] CN(C(=O)c1ccc(cc1)Nc1cc[nH+]cc1)[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 c1cncc(c1)[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)Nc1cc[nH+]cc1)[*:1]
C/C(=C\C(=O)c1cccnc1)Nc1ccc(C)c(C)c1 c1cncc(c1)[*:1] C/C(=C\C(=O)[*:1])Nc1ccc(C)c(C)c1
Cc1ccc(C(=O)NC2CCN(C(=O)Nc3c(F)cccc3F)CC2)s1 Fc1cccc(F)c1[*:1] Cc1ccc(s1)C(=O)NC1CCN(CC1)C(=O)N[*:1]
Cc1ccc(C(=O)NC2CCN(C(=O)Nc3c(F)cccc3F)CC2)s1 Cc1ccc(s1)[*:1] O=C(Nc1c(F)cccc1F)N1CCC(CC1)NC(=O)[*:1]
COc1ccc2c(C)cc(SCc3nnc(-c4ccccc4)o3)nc2c1 c1ccc(cc1)[*:1] COc1ccc2c(C)cc(nc2c1)SCc1nnc(o1)[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)Cc2ccccc2F)c(C)c1 Fc1ccccc1C[*:1] Cc1cc(C)c(NC(=O)CNC(=O)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CNC(=O)Cc2ccccc2F)c(C)c1 Fc1ccccc1[*:1] Cc1cc(C)c(NC(=O)CNC(=O)C[*:1])c(C)c1
c1coc([C@H]2CN(Cc3cnc(C4CCC4)s3)CCO2)c1 c1coc(c1)[*:1] c1nc(sc1CN1CCO[C@H](C1)[*:1])C1CCC1
c1coc([C@H]2CN(Cc3cnc(C4CCC4)s3)CCO2)c1 C1CC(C1)[*:1] c1coc(c1)[C@H]1CN(CCO1)Cc1cnc(s1)[*:1]
O=C([O-])c1cccc(S(=O)(=O)Oc2ccccc2)c1 O=C([O-])[*:1] O=S(=O)(Oc1ccccc1)c1cccc(c1)[*:1]
O=C([O-])c1cccc(S(=O)(=O)Oc2ccccc2)c1 c1ccc(cc1)[*:1] O=C([O-])c1cccc(c1)S(=O)(=O)O[*:1]
O=C(Nc1ccc2c(c1)OCCO2)N1CCOc2ccc(COCc3ccccc3Cl)cc2C1 Clc1ccccc1CO[*:1] O=C(Nc1ccc2OCCOc2c1)N1CCOc2ccc(cc2C1)C[*:1]
O=C(Nc1ccc2c(c1)OCCO2)N1CCOc2ccc(COCc3ccccc3Cl)cc2C1 Clc1ccccc1C[*:1] O=C(Nc1ccc2OCCOc2c1)N1CCOc2ccc(cc2C1)CO[*:1]
O=C(Nc1ccc2c(c1)OCCO2)N1CCOc2ccc(COCc3ccccc3Cl)cc2C1 Clc1ccccc1[*:1] O=C(Nc1ccc2OCCOc2c1)N1CCOc2ccc(cc2C1)COC[*:1]
O=C(Nc1ccc2c(c1)OCCO2)N1CCOc2ccc(COCc3ccccc3Cl)cc2C1 Clc1ccccc1COC[*:1] O=C(Nc1ccc2OCCOc2c1)N1CCOc2ccc(cc2C1)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)N1CCOc2ccc(COCc3ccccc3Cl)cc2C1 c1cc2OCCOc2cc1[*:1] O=C(N[*:1])N1CCOc2ccc(cc2C1)COCc1ccccc1Cl
CC(C)N(C(=O)C[NH+](C(C)C)C1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)C[NH+](C(C)C)C1CCOCC1)[*:1]
CC(C)N(C(=O)C[NH+](C(C)C)C1CCOCC1)c1ccccc1 CC(C)[*:1] CC(C)[NH+](CC(=O)N(c1ccccc1)[*:1])C1CCOCC1
CC(C)N(C(=O)C[NH+](C(C)C)C1CCOCC1)c1ccccc1 CC(C)[*:1] CC(C)N(C(=O)C[NH+](C1CCOCC1)[*:1])c1ccccc1
Cc1ccccc1-c1cc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)n(C)n1 Cc1ccccc1[*:1] Cn1nc(cc1NC(=O)C[C@@H]1CCS(=O)(=O)C1)[*:1]
CC1(C)CC[C@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c2ccccc21 c1cc(co1)[*:1] CC1(C)CC[C@H](C[NH2+]C2CCN(CC2)C(=O)[*:1])c2ccccc21
Cc1nc(C[S@@](=O)Cc2ccc(OC(F)F)cc2)sc1C Cc1nc(sc1C)[*:1] O=[S@@](Cc1ccc(cc1)OC(F)F)C[*:1]
Cc1nc(C[S@@](=O)Cc2ccc(OC(F)F)cc2)sc1C FC(F)O[*:1] Cc1nc(C[S@@](=O)Cc2ccc(cc2)[*:1])sc1C
Cc1nc(C[S@@](=O)Cc2ccc(OC(F)F)cc2)sc1C FC(F)[*:1] Cc1nc(C[S@@](=O)Cc2ccc(cc2)O[*:1])sc1C
COc1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1N1CCOC1=O O=C1OCCN1[*:1] COc1ccc(cc1[*:1])NC(=O)c1c(C)cc(C)cc1C
COc1cc(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c([N+](=O)[O-])cc1O O=[N+]([O-])[*:1] COc1cc(CN2CCO[C@H](C2)c2ccc(F)c(Cl)c2)c(cc1O)[*:1]
COc1cc(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c([N+](=O)[O-])cc1O Fc1ccc(cc1Cl)[*:1] COc1cc(CN2CCO[C@@H](C2)[*:1])c(cc1O)[N+](=O)[O-]
C=CCNC(=O)/C=C/c1ccccc1C#N C=CC[*:1] N#Cc1ccccc1/C=C/C(=O)N[*:1]
Cc1nc(-c2cccc(C(=O)N3[C@H](C)COC[C@H]3C)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(c1)[*:1]
Cc1ccc(C)c(NC(=O)c2ncccc2OCC(F)(F)F)c1 FC(F)(F)CO[*:1] Cc1ccc(C)c(c1)NC(=O)c1ncccc1[*:1]
Cc1ccc(C)c(NC(=O)c2ncccc2OCC(F)(F)F)c1 FC(F)(F)C[*:1] Cc1ccc(C)c(c1)NC(=O)c1ncccc1O[*:1]
Cc1ccc(C)c(NC(=O)c2ncccc2OCC(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(C)c(c1)NC(=O)c1ncccc1OC[*:1]
CC[C@@H](C)NC(=O)c1ccn2c(-c3cccc(Cl)c3)nnc2c1 Clc1cccc(c1)[*:1] CC[C@@H](C)NC(=O)c1ccn2c(nnc2c1)[*:1]
CC[C@@H](C)NC(=O)c1ccn2c(-c3cccc(Cl)c3)nnc2c1 CC[C@@H](C)NC(=O)[*:1] Clc1cccc(c1)-c1nnc2cc(ccn12)[*:1]
CC[C@@H](C)NC(=O)c1ccn2c(-c3cccc(Cl)c3)nnc2c1 CC[C@@H](C)[*:1] O=C(N[*:1])c1ccn2c(nnc2c1)-c1cccc(Cl)c1
Cc1cc(COC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)no1 O=C1CCCN1[*:1] Cc1cc(COC(=O)CNC(=O)c2ccc(cc2)[*:1])no1
Cc1cc(COC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)no1 Cc1cc(no1)[*:1] O=C(CNC(=O)c1ccc(cc1)N1CCCC1=O)OC[*:1]
Cc1cc(COC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)no1 Cc1cc(C[*:1])no1 O=C(CNC(=O)c1ccc(cc1)N1CCCC1=O)O[*:1]
COc1ccc(OC)c(CNC(=O)c2ccc(-c3cccs3)nc2)c1 c1csc(c1)[*:1] COc1ccc(OC)c(c1)CNC(=O)c1ccc(nc1)[*:1]
Cc1cc(C)c(/N=C2/CCCN2Cc2ccccc2)c(C#N)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(/N=C2/CCCN2C[*:1])c(C#N)c1
Cc1cc(C)c(/N=C2/CCCN2Cc2ccccc2)c(C#N)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(/N=C2/CCCN2[*:1])c(C#N)c1
COc1ccc(CNC(=O)[C@H]2CCO[C@@H]2C)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])CNC(=O)[C@H]1CCO[C@@H]1C
C=CCSC1=NC(=O)[C@@H]2C(=N1)N=C(C)/C(=C(\[O-])OC)[C@H]2c1cccc(F)c1 Fc1cccc(c1)[*:1] C=CCSC1=NC(=O)[C@@H]2C(N=C(C)/C(=C(\[O-])OC)[C@@H]2[*:1])=N1
C=CCSC1=NC(=O)[C@@H]2C(=N1)N=C(C)/C(=C(\[O-])OC)[C@H]2c1cccc(F)c1 C=CC[*:1] CO/C([O-])=C1/C(C)=NC2=NC(=NC(=O)[C@H]2[C@@H]1c1cccc(F)c1)S[*:1]
C=CCNC(=O)Cn1c(COc2cccc(C)c2)nc2ccccc21 Cc1cccc(c1)O[*:1] C=CCNC(=O)Cn1c(C[*:1])nc2ccccc21
C=CCNC(=O)Cn1c(COc2cccc(C)c2)nc2ccccc21 Cc1cccc(c1)[*:1] C=CCNC(=O)Cn1c(CO[*:1])nc2ccccc21
C=CCNC(=O)Cn1c(COc2cccc(C)c2)nc2ccccc21 C=CCNC(=O)[*:1] Cc1cccc(c1)OCc1nc2ccccc2n1C[*:1]
C=CCNC(=O)Cn1c(COc2cccc(C)c2)nc2ccccc21 C=CC[*:1] Cc1cccc(c1)OCc1nc2ccccc2n1CC(=O)N[*:1]
C=CCNC(=O)Cn1c(COc2cccc(C)c2)nc2ccccc21 C=CCNC(=O)C[*:1] Cc1cccc(c1)OCc1nc2ccccc2n1[*:1]
Cc1ccc(CNC(=O)N(C)C2CCC2)c(C)c1 C1CC(C1)[*:1] Cc1ccc(CNC(=O)N(C)[*:1])c(C)c1
CC(C)c1noc(CCNC(=O)N(C)[C@H](C)c2ccco2)n1 CC(C)[*:1] C[C@H](c1ccco1)N(C)C(=O)NCCc1nc(no1)[*:1]
CC(C)c1noc(CCNC(=O)N(C)[C@H](C)c2ccco2)n1 C[C@H](c1ccco1)[*:1] CC(C)c1noc(CCNC(=O)N(C)[*:1])n1
CC(C)c1noc(CCNC(=O)N(C)[C@H](C)c2ccco2)n1 c1coc(c1)[*:1] CC(C)c1noc(CCNC(=O)N(C)[C@H](C)[*:1])n1
Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)c3cnc[nH]c3=O)CC2)c1 O=C([O-])[*:1] Cc1cccc(c1)OC1(CCN(CC1)C(=O)c1cnc[nH]c1=O)[*:1]
Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)c3cnc[nH]c3=O)CC2)c1 Cc1cccc(c1)O[*:1] O=C(c1cnc[nH]c1=O)N1CCC(CC1)(C(=O)[O-])[*:1]
Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)c3cnc[nH]c3=O)CC2)c1 Cc1cccc(c1)[*:1] O=C(c1cnc[nH]c1=O)N1CCC(CC1)(O[*:1])C(=O)[O-]
Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)c3cnc[nH]c3=O)CC2)c1 O=c1[nH]cncc1[*:1] Cc1cccc(c1)OC1(CCN(CC1)C(=O)[*:1])C(=O)[O-]
C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)c1cccc(c1)[*:1]
C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)c1cccc(-n2cccn2)c1 Clc1ccc(cn1)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1cccc(c1)-n1cccn1
Cc1cccc(NC(=O)NCC(=O)NC[C@@](C)(O)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@](C)(O)CNC(=O)CNC(=O)N[*:1]
Cc1cccc(NC(=O)NCC(=O)NC[C@@](C)(O)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)NCC(=O)NC[C@@](C)(O)[*:1]
CC(=O)c1cccc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)c1 CC(=O)[*:1] C[C@H]1CN(CC(=O)Nc2cccc(c2)[*:1])C[C@@H](C)O1
CCOc1ncccc1C(=O)N[C@@H](C)Cn1ccnc1 c1cn(cn1)[*:1] CCOc1ncccc1C(=O)N[C@@H](C)C[*:1]
CCOc1ncccc1C(=O)N[C@@H](C)Cn1ccnc1 CCO[*:1] C[C@@H](Cn1ccnc1)NC(=O)c1cccnc1[*:1]
CCOc1ncccc1C(=O)N[C@@H](C)Cn1ccnc1 c1cn(cn1)C[*:1] CCOc1ncccc1C(=O)N[C@@H](C)[*:1]
C[C@H](CC#N)N(C)CC(=O)NCc1ccccn1 N#CC[*:1] C[C@H](N(C)CC(=O)NCc1ccccn1)[*:1]
C[C@H](CC#N)N(C)CC(=O)NCc1ccccn1 c1ccc(nc1)[*:1] C[C@H](CC#N)N(C)CC(=O)NC[*:1]
CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] CC(=O)Nc1ccc(cc1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 CC(=O)N[*:1] C[C@@H](Oc1ccc(cc1)C(C)(C)C)C(=O)NNC(=O)c1ccc(cc1)[*:1]
Cn1cc(C(=O)Nc2ccc(F)cc2OCC2CC2)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(C(=O)Nc2ccc(F)cc2OCC2CC2)c(n1)[*:1]
Cn1cc(C(=O)Nc2ccc(F)cc2OCC2CC2)c(-c2cccs2)n1 C1CC1CO[*:1] Cn1cc(C(=O)Nc2ccc(F)cc2[*:1])c(n1)-c1cccs1
Cn1cc(C(=O)Nc2ccc(F)cc2OCC2CC2)c(-c2cccs2)n1 C1CC1[*:1] Cn1cc(C(=O)Nc2ccc(F)cc2OC[*:1])c(n1)-c1cccs1
Cn1cc(C(=O)Nc2ccc(F)cc2OCC2CC2)c(-c2cccs2)n1 C1CC1C[*:1] Cn1cc(C(=O)Nc2ccc(F)cc2O[*:1])c(n1)-c1cccs1
Cc1ccccc1CNC(=O)NCCc1nccn1Cc1ccccc1 Cc1ccccc1[*:1] O=C(NCCc1nccn1Cc1ccccc1)NC[*:1]
Cc1ccccc1CNC(=O)NCCc1nccn1Cc1ccccc1 Cc1ccccc1C[*:1] O=C(NCCc1nccn1Cc1ccccc1)N[*:1]
Cc1ccccc1CNC(=O)NCCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccccc1CNC(=O)NCCc1nccn1[*:1]
Cc1ccccc1CNC(=O)NCCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1CNC(=O)NCCc1nccn1C[*:1]
O=C(NCCOc1cccc(F)c1)C(=O)Nc1cnc(-c2ccccc2)s1 Fc1cccc(c1)OC[*:1] O=C(NC[*:1])C(=O)Nc1cnc(s1)-c1ccccc1
O=C(NCCOc1cccc(F)c1)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(NCCOc1cccc(F)c1)C(=O)Nc1cnc(s1)[*:1]
O=C(NCCOc1cccc(F)c1)C(=O)Nc1cnc(-c2ccccc2)s1 Fc1cccc(c1)[*:1] O=C(NCCO[*:1])C(=O)Nc1cnc(s1)-c1ccccc1
O=C(NCCOc1cccc(F)c1)C(=O)Nc1cnc(-c2ccccc2)s1 Fc1cccc(c1)O[*:1] O=C(NCC[*:1])C(=O)Nc1cnc(s1)-c1ccccc1
CCOc1cc(C)ccc1NC(=O)C(=O)N1CCO[C@@H](c2ccccc2)C1 CCO[*:1] Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C2)c2ccccc2)c(c1)[*:1]
CCOc1cc(C)ccc1NC(=O)C(=O)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CCOc1cc(C)ccc1NC(=O)C(=O)N1CCO[C@@H](C1)[*:1]
CN(CCc1ccccn1)C(=O)CNC(=O)[C@H]1CC(=O)Nc2ccccc21 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)CNC(=O)[C@H]1CC(=O)Nc2ccccc21
CN(CCc1ccccn1)C(=O)CNC(=O)[C@H]1CC(=O)Nc2ccccc21 c1ccc(CC[*:1])nc1 CN(C(=O)CNC(=O)[C@H]1CC(=O)Nc2ccccc21)[*:1]
CN(CCc1ccccn1)C(=O)CNC(=O)[C@H]1CC(=O)Nc2ccccc21 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)CNC(=O)[C@H]1CC(=O)Nc2ccccc21
CCCN[C@@H](c1cc(F)ccc1F)C(C)(C)[NH+]1CCCC1 CCCN[*:1] CC(C)([C@H](c1cc(F)ccc1F)[*:1])[NH+]1CCCC1
CCCN[C@@H](c1cc(F)ccc1F)C(C)(C)[NH+]1CCCC1 CCC[*:1] CC(C)([C@@H](N[*:1])c1cc(F)ccc1F)[NH+]1CCCC1
O=C([O-])COc1nc(NCc2cccc(Cl)c2)nc2c1CCC2 O=C([O-])C[*:1] Clc1cccc(c1)CNc1nc2CCCc2c(n1)O[*:1]
O=C([O-])COc1nc(NCc2cccc(Cl)c2)nc2c1CCC2 O=C([O-])CO[*:1] Clc1cccc(c1)CNc1nc2CCCc2c(n1)[*:1]
O=C([O-])COc1nc(NCc2cccc(Cl)c2)nc2c1CCC2 O=C([O-])[*:1] Clc1cccc(c1)CNc1nc2CCCc2c(n1)OC[*:1]
O=C([O-])COc1nc(NCc2cccc(Cl)c2)nc2c1CCC2 Clc1cccc(c1)[*:1] O=C([O-])COc1nc(nc2CCCc21)NC[*:1]
COC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)N(C)C COC(=O)[*:1] CN(C)S(=O)(=O)N[C@H]1CCCCC[C@H]1[*:1]
Cc1nc(C2CCCC2)sc1C(=O)NCC[S@](=O)C(C)(C)C CC(C)(C)[*:1] Cc1nc(sc1C(=O)NCC[S@](=O)[*:1])C1CCCC1
Cc1nc(C2CCCC2)sc1C(=O)NCC[S@](=O)C(C)(C)C C1CCC(C1)[*:1] Cc1nc(sc1C(=O)NCC[S@](=O)C(C)(C)C)[*:1]
COCc1cc(=O)n(CC(=O)NCc2cccc(Cl)c2)c(N2CCOCC2)n1 Clc1cccc(c1)C[*:1] COCc1cc(=O)n(CC(=O)N[*:1])c(n1)N1CCOCC1
COCc1cc(=O)n(CC(=O)NCc2cccc(Cl)c2)c(N2CCOCC2)n1 COC[*:1] O=C(Cn1c(nc(cc1=O)[*:1])N1CCOCC1)NCc1cccc(Cl)c1
COCc1cc(=O)n(CC(=O)NCc2cccc(Cl)c2)c(N2CCOCC2)n1 C1CN(CCO1)[*:1] COCc1cc(=O)n(CC(=O)NCc2cccc(Cl)c2)c(n1)[*:1]
COCc1cc(=O)n(CC(=O)NCc2cccc(Cl)c2)c(N2CCOCC2)n1 Clc1cccc(c1)[*:1] COCc1cc(=O)n(CC(=O)NC[*:1])c(n1)N1CCOCC1
COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](CC(C)(C)C)CC3)ccc2o1 COc1ccccc1[*:1] CC(C)(C)C[NH+]1CCC(O)(CC1)c1ccc2oc(cc2c1)C(=O)N[*:1]
COc1ccccc1NC(=O)c1cc2cc(C3(O)CC[NH+](CC(C)(C)C)CC3)ccc2o1 CC(C)(C)[*:1] COc1ccccc1NC(=O)c1cc2cc(ccc2o1)C1(O)CC[NH+](CC1)C[*:1]
CCC[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)c(C)c2)CCO1 CCC[*:1] Cc1cc(ccc1N1CCCS1(=O)=O)C(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)c(C)c2)CCO1 O=S1(=O)CCCN1[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1ccc(c(C)c1)[*:1]
NC(=O)c1cccnc1Oc1ccc(N)cc1Cl NC(=O)[*:1] Nc1ccc(Oc2ncccc2[*:1])c(Cl)c1
CC(C)(C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(N4CCCCC4)nc[nH+]3)nn2)n1 C1CCN(CC1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)C(=O)Nc1cc(nc[nH+]1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(N4CCCCC4)nc[nH+]3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1cc(nc[nH+]1)N1CCCCC1)c1ccc(nn1)[*:1]
COC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 Brc1cncc(c1)[*:1] COC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
COC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 COC(=O)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3cncc(Br)c3)c21)[*:1]
N#Cc1cnn(-c2ccc(NC(=O)CCCc3ccccn3)cc2)c1N c1ccc(nc1)[*:1] N#Cc1cnn(-c2ccc(cc2)NC(=O)CCC[*:1])c1N
N#Cc1cnn(-c2ccc(NC(=O)CCCc3ccccn3)cc2)c1N N#Cc1cnn(c1N)[*:1] O=C(CCCc1ccccn1)Nc1ccc(cc1)[*:1]
N#Cc1cnn(-c2ccc(NC(=O)CCCc3ccccn3)cc2)c1N c1ccc(C[*:1])nc1 N#Cc1cnn(-c2ccc(cc2)NC(=O)CC[*:1])c1N
N#Cc1cnn(-c2ccc(NC(=O)CCCc3ccccn3)cc2)c1N c1ccc(CC[*:1])nc1 N#Cc1cnn(-c2ccc(cc2)NC(=O)C[*:1])c1N
COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1cccc2cccnc12
COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1 c1cnc2c(cccc2c1)[*:1] COc1cccc(c1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(/C=C/c1ccccc1F)NNC(=O)c1ccc(Br)s1 Fc1ccccc1[*:1] O=C(C=C[*:1])NNC(=O)c1ccc(Br)s1
O=C(/C=C/c1ccccc1F)NNC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(/C=C/c1ccccc1F)NNC(=O)[*:1]
CCn1c(S[C@H](C)C(=O)NCC2CCCCC2)nnc1-c1ccncc1 C1CCC(CC1)[*:1] CCn1c(nnc1-c1ccncc1)S[C@H](C)C(=O)NC[*:1]
CCn1c(S[C@H](C)C(=O)NCC2CCCCC2)nnc1-c1ccncc1 C1CCC(CC1)C[*:1] CCn1c(nnc1-c1ccncc1)S[C@H](C)C(=O)N[*:1]
CCn1c(S[C@H](C)C(=O)NCC2CCCCC2)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)NCC1CCCCC1
CNC(=O)COc1ccc(NC(=O)N[C@H](C)c2ncc(C)s2)cc1 CNC(=O)C[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)Nc1ccc(cc1)O[*:1]
CNC(=O)COc1ccc(NC(=O)N[C@H](C)c2ncc(C)s2)cc1 CNC(=O)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)Nc1ccc(cc1)OC[*:1]
CNC(=O)COc1ccc(NC(=O)N[C@H](C)c2ncc(C)s2)cc1 Cc1cnc(s1)[*:1] CNC(=O)COc1ccc(cc1)NC(=O)N[C@H](C)[*:1]
CNC(=O)COc1ccc(NC(=O)N[C@H](C)c2ncc(C)s2)cc1 CNC(=O)CO[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1cc(Cl)cc(C)c1NS(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Cl)cc(C)c1NS(=O)(=O)C[*:1]
CCNC(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 CCNC(=O)N[*:1] COc1ccc(cc1)COCc1cccc(c1)[*:1]
CS[C@@H](C)C(=O)N1CC[C@H](CSc2ccccc2)C1 CS[C@@H](C)[*:1] O=C(N1CC[C@H](CSc2ccccc2)C1)[*:1]
CS[C@@H](C)C(=O)N1CC[C@H](CSc2ccccc2)C1 c1ccc(cc1)[*:1] CS[C@@H](C)C(=O)N1CC[C@H](CS[*:1])C1
Cc1ccc(C)c(-n2c(C)cn3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)-n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
Cc1ccc(C)c(-n2c(C)cn3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)-n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
Cc1ccc(C)c(-n2c(C)cn3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)c1 Cc1ccc(C)c(c1)[*:1] Cc1cn2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1[*:1]
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCOC(=O)[C@@H]1C(=O)N=C(N[C@H]1[*:1])N1CCN(CC1)c1ccccc1F
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cccc(Cl)c1 Fc1ccccc1[*:1] CCOC(=O)[C@@H]1C(=O)N=C(N[C@@H]1c1cccc(Cl)c1)N1CCN(CC1)[*:1]
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cccc(Cl)c1 CCOC(=O)[*:1] O=C1N=C(N[C@H](c2cccc(Cl)c2)[C@@H]1[*:1])N1CCN(CC1)c1ccccc1F
CN(CCOCC1CC1)C(=O)Cc1ccccc1O C1CC1[*:1] CN(CCOC[*:1])C(=O)Cc1ccccc1O
CN(CCOCC1CC1)C(=O)Cc1ccccc1O C1CC1COC[*:1] CN(C[*:1])C(=O)Cc1ccccc1O
CN(CCOCC1CC1)C(=O)Cc1ccccc1O C1CC1CO[*:1] CN(CC[*:1])C(=O)Cc1ccccc1O
CN(CCOCC1CC1)C(=O)Cc1ccccc1O C1CC1C[*:1] CN(CCO[*:1])C(=O)Cc1ccccc1O
COC(=O)NC(C)(C)C(=O)NCC[C@H](O)c1ccccc1 COC(=O)N[*:1] CC(C)(C(=O)NCC[C@H](O)c1ccccc1)[*:1]
COC(=O)NC(C)(C)C(=O)NCC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)NC(C)(C)C(=O)NCC[C@H](O)[*:1]
CC[C@H](C)N(C)C(=O)N[C@H](c1nccs1)C1CC1 c1csc(n1)[*:1] CC[C@H](C)N(C)C(=O)N[C@H](C1CC1)[*:1]
CC[C@H](C)N(C)C(=O)N[C@H](c1nccs1)C1CC1 CC[C@H](C)[*:1] CN(C(=O)N[C@H](c1nccs1)C1CC1)[*:1]
CC[C@H](C)N(C)C(=O)N[C@H](c1nccs1)C1CC1 C1CC1[*:1] CC[C@H](C)N(C)C(=O)N[C@H](c1nccs1)[*:1]
Cc1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)n1[*:1]
Cc1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(S[C@H](C)C(=O)N(C)[*:1])n1-c1ccccc1
Cc1ccc(N(C)C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)N(C)C(=O)CN1C(=O)COc2ccc(cc21)[*:1]
Cc1ccc(N(C)C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)CN1C(=O)COc2ccc(cc21)[N+](=O)[O-])[*:1]
O=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)Nc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] O=C(Cn1nc(-c2ccco2)c2sc(nc2c1=O)N1CCOCC1)N[*:1]
O=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)Nc1cccc2ccccc12 c1coc(c1)[*:1] O=C(Cn1nc(c2sc(nc2c1=O)N1CCOCC1)[*:1])Nc1cccc2ccccc12
O=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)Nc1cccc2ccccc12 C1CN(CCO1)[*:1] O=C(Cn1nc(-c2ccco2)c2sc(nc2c1=O)[*:1])Nc1cccc2ccccc12
CCOc1ccc(C(=O)N[C@H](C#N)CC)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)N[C@H](C#N)CC
CCOc1ccc(C(=O)N[C@H](C#N)CC)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)N[C@H](C#N)CC
C[NH+]1CCC(NCc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] C[NH+]1CCC(CC1)NCc1ccc(cc1)[*:1]
Cc1cc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)n(C)n1 C1CC(C1)[*:1] Cc1cc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)n(C)n1 Clc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)N[C@H](C2CCC2)[*:1])n(C)n1
FC(F)(F)Cc1ccccc1Br FC(F)(F)[*:1] Brc1ccccc1C[*:1]
COc1ccc(CNc2nc(N(C)C)c3ccccc3[nH+]2)cc1 CN(C)[*:1] COc1ccc(cc1)CNc1nc(c2ccccc2[nH+]1)[*:1]
Cc1noc(C)c1[C@@H](C)NCc1ncnn1C(C)C CC(C)[*:1] Cc1noc(C)c1[C@@H](C)NCc1ncnn1[*:1]
O=C(NC[C@H]1C[C@@H]1c1ccccc1)N1CCOC[C@@H]1C1CC1 c1ccc(cc1)[*:1] O=C(NC[C@H]1C[C@H]1[*:1])N1CCOC[C@@H]1C1CC1
O=C(NC[C@H]1C[C@@H]1c1ccccc1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(NC[C@H]1C[C@@H]1c1ccccc1)N1CCOC[C@H]1[*:1]
COC(=O)c1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)ccc2=O)cc1 COC(=O)[*:1] Cc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)ccc2=O)cc1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@@H](C)n1nc(ccc1=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1C(=O)N[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 Cc1noc(C)c1[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1S(=O)(=O)[*:1]
COc1ccc(C[C@H](C(=O)Nc2cccc(OC)c2)c2nnn[n-]2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)C[C@H](C(=O)N[*:1])c1nnn[n-]1
COc1ccc(C[C@H](C(=O)Nc2cccc(OC)c2)c2nnn[n-]2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H](C[*:1])c1nnn[n-]1
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2C)CC1 Clc1ccc(cc1)[*:1] COC(=O)[C@H](N1CCN(CC1)C(=O)c1ccccc1C)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2C)CC1 COC(=O)[*:1] Cc1ccccc1C(=O)N1CCN(CC1)[C@@H](c1ccc(Cl)cc1)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2C)CC1 Cc1ccccc1[*:1] COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
O=C1N=C(CSc2nncn2-c2ccccc2F)N=C2C=CS[C@@H]12 Fc1ccccc1[*:1] O=C1N=C(CSc2nncn2[*:1])N=C2C=CS[C@@H]12
C[C@@H](CNC(=O)NCc1nnc2ccccn12)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NCc1nnc2ccccn12)N[*:1]
C[C@@H](CNC(=O)NCc1nnc2ccccn12)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@@H](CNC(=O)NCc1nnc2ccccn12)[*:1]
CC(C)c1cc(C(=O)N(C)Cc2ncnn2C)c2cnn(C(C)C)c2n1 Cn1ncnc1[*:1] CC(C)c1cc(C(=O)N(C)C[*:1])c2cnn(c2n1)C(C)C
CC(C)c1cc(C(=O)N(C)Cc2ncnn2C)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)c1cc(C(=O)N(C)Cc2ncnn2C)c2cnn(c2n1)[*:1]
CC(C)c1cc(C(=O)N(C)Cc2ncnn2C)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)N(C)Cc1ncnn1C
CC(C)c1cc(C(=O)N(C)Cc2ncnn2C)c2cnn(C(C)C)c2n1 Cn1ncnc1C[*:1] CC(C)c1cc(C(=O)N(C)[*:1])c2cnn(c2n1)C(C)C
COc1cccc([C@H]2C[C@H]2C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)C[*:1] COc1cccc(c1)[C@H]1C[C@H]1C(=O)N1CC[C@@H](C1)OC[*:1]
COc1cccc([C@H]2C[C@H]2C(=O)N2CC[C@H](OCCC(C)C)C2)c1 COc1cccc(c1)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H]1[*:1]
COc1cccc([C@H]2C[C@H]2C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)CC[*:1] COc1cccc(c1)[C@H]1C[C@H]1C(=O)N1CC[C@@H](C1)O[*:1]
COc1cccc([C@H]2C[C@H]2C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)[*:1] COc1cccc(c1)[C@H]1C[C@H]1C(=O)N1CC[C@@H](C1)OCC[*:1]
COc1cccc([C@H]2C[C@H]2C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)CCO[*:1] COc1cccc(c1)[C@H]1C[C@H]1C(=O)N1CC[C@H](C1)[*:1]
C=CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2ccccc21 C=CC[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)/N=c1\sc2ccccc2n1[*:1]
COc1ccc([C@@H](C#N)CC(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@@H](C#N)C[*:1]
COc1ccc([C@@H](C#N)CC(=O)[O-])cc1 O=C([O-])C[*:1] COc1ccc(cc1)[C@@H](C#N)[*:1]
CONC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CONC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(cc1)[*:1]
CONC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 CONC(=O)[*:1] CN1C(=O)CC[C@H]([C@H]1c1ccc(cc1)C(F)(F)F)[*:1]
Cc1ccc(OCC(=O)Nc2cc(C)on2)c(C)c1 Cc1cc(no1)[*:1] Cc1ccc(OCC(=O)N[*:1])c(C)c1
CC(C)(C)[NH+]1CCN(Cc2nc3ccc(N)cc3o2)CC1 CC(C)(C)[*:1] Nc1ccc2nc(CN3CC[NH+](CC3)[*:1])oc2c1
Cc1cccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1C C1CC1[*:1] Cc1cccc(C[NH2+]C2CCN(CC2)C(=O)[*:1])c1C
C=CCN/C(S)=N/C1CC(C)(C)[NH2+]C(C)(C)C1 C=CC[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)/N=C(\S)N[*:1]
c1ccc(-c2nnc(OC[C@@H]3CCCO3)c3ccccc23)cc1 c1ccc(cc1)[*:1] c1ccc2c(nnc(OC[C@@H]3CCCO3)c2c1)[*:1]
Cc1c(C(=O)N2CCN(CCC[NH3+])CC2)cnn1C [NH3+]CCC[*:1] Cc1c(cnn1C)C(=O)N1CCN(CC1)[*:1]
Cc1c(C(=O)N2CCN(CCC[NH3+])CC2)cnn1C [NH3+]CC[*:1] Cc1c(cnn1C)C(=O)N1CCN(CC1)C[*:1]
C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccco1)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccco1)[*:1]
C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccco1)[C@H]1CCOC1 c1coc(c1)[*:1] C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)[*:1])[C@H]1CCOC1
CCn1c(SCC(=O)N[C@H](C)c2ccccc2Br)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N[C@H](C)c1ccccc1Br
CCn1c(SCC(=O)N[C@H](C)c2ccccc2Br)nnc1-c1ccco1 Brc1ccccc1[*:1] CCn1c(nnc1-c1ccco1)SCC(=O)N[C@H](C)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)C[C@@H](C)n1cccc1 C[C@@H](n1cccc1)[*:1] Cc1ccccc1O[C@H](C)CNC(=O)C[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)C[C@@H](C)n1cccc1 c1ccn(c1)[*:1] Cc1ccccc1O[C@H](C)CNC(=O)C[C@@H](C)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)C[C@@H](C)n1cccc1 Cc1ccccc1[*:1] C[C@H](CNC(=O)C[C@@H](C)n1cccc1)O[*:1]
CC[C@H](O)Cn1nc(-c2ccncc2)nc1CCN1Cc2ccccc2C1=O c1cc(ccn1)[*:1] CC[C@H](O)Cn1nc(nc1CCN1Cc2ccccc2C1=O)[*:1]
CC(=O)N1CCc2c(nc([C@H]3CCCN(C(=O)C4CC4)C3)nc2-c2ccncc2)C1 C1CC1[*:1] CC(=O)N1CCc2c(C1)nc(nc2-c1ccncc1)[C@H]1CCCN(C1)C(=O)[*:1]
CC(=O)N1CCc2c(nc([C@H]3CCCN(C(=O)C4CC4)C3)nc2-c2ccncc2)C1 c1cc(ccn1)[*:1] CC(=O)N1CCc2c(C1)nc(nc2[*:1])[C@H]1CCCN(C1)C(=O)C1CC1
Cc1nn(C)c(C)c1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 C1CCN(C1)[*:1] Cc1nn(C)c(C)c1C(=O)NCc1ccc([nH+]c1)[*:1]
C=CCN(CC(F)(F)F)C(=O)c1cncc(Br)c1 C=CC[*:1] O=C(c1cncc(Br)c1)N(CC(F)(F)F)[*:1]
C=CCN(CC(F)(F)F)C(=O)c1cncc(Br)c1 FC(F)(F)C[*:1] C=CCN(C(=O)c1cncc(Br)c1)[*:1]
C=CCN(CC(F)(F)F)C(=O)c1cncc(Br)c1 FC(F)(F)[*:1] C=CCN(C[*:1])C(=O)c1cncc(Br)c1
[NH3+][C@H](c1ncc[nH]1)[C@@H]1CCCc2cccnc21 c1c[nH]c(n1)[*:1] [NH3+][C@H]([C@@H]1CCCc2cccnc21)[*:1]
C[C@@H](Sc1nnc(N2CCOCC2)n1C)C(=O)NC[C@H](C)c1ccccc1 C1CN(CCO1)[*:1] C[C@@H](Sc1nnc(n1C)[*:1])C(=O)NC[C@H](C)c1ccccc1
C[C@@H](Sc1nnc(N2CCOCC2)n1C)C(=O)NC[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(N2CCOCC2)n1C)C(=O)NC[C@H](C)[*:1]
C[C@@H](Sc1nnc(N2CCOCC2)n1C)C(=O)NC[C@H](C)c1ccccc1 C[C@@H](C[*:1])c1ccccc1 C[C@@H](Sc1nnc(N2CCOCC2)n1C)C(=O)N[*:1]
C[C@@H](Sc1nnc(N2CCOCC2)n1C)C(=O)NC[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](Sc1nnc(N2CCOCC2)n1C)C(=O)NC[*:1]
C/C(=N\NC(=O)c1ccc(CSc2cccc3cccnc23)cc1)c1ccco1 c1coc(c1)[*:1] CC(=NNC(=O)c1ccc(cc1)CSc1cccc2cccnc12)[*:1]
COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)cs2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1csc(n1)[*:1])c1ccc(F)c(F)c1
COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)cs2)cc1 Fc1ccc(cc1F)[*:1] COc1ccc(cc1)-c1nc(cs1)C(=O)N[C@H](C)[*:1]
CCn1ccc2ccc(NC(=O)C(=O)N[C@H](C)c3cc(C)sc3C)cc21 Cc1cc(c(C)s1)[*:1] CCn1ccc2ccc(cc21)NC(=O)C(=O)N[C@H](C)[*:1]
O=C(NCC(=O)N1CCc2ccccc2C1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(CNC(=O)[*:1])N1CCc2ccccc2C1
C[C@@H]1CC(Nc2cccc(Oc3cnccn3)c2)C[C@@H](C)O1 c1cnc(cn1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)Nc1cccc(c1)O[*:1]
C[C@@H]1CC(Nc2cccc(Oc3cnccn3)c2)C[C@@H](C)O1 c1cnc(cn1)O[*:1] C[C@@H]1CC(C[C@@H](C)O1)Nc1cccc(c1)[*:1]
Cn1cnc2c(=O)oc3ccc(S(=O)(=O)N4CCN(c5ccccn5)CC4)cc3c21 c1ccc(nc1)[*:1] Cn1cnc2c(=O)oc3ccc(cc3c21)S(=O)(=O)N1CCN(CC1)[*:1]
O=C(/N=C1/N=N[C@H](c2ccco2)S1)Nc1ccc(Cl)cc1Cl c1coc(c1)[*:1] O=C(/N=C1/N=N[C@H](S1)[*:1])Nc1ccc(Cl)cc1Cl
CC(C)CCO[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 CC(C)C[*:1] CC1(C)OC[C@@H](O1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC[*:1]
CC(C)CCO[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 CC(C)[*:1] CC1(C)OC[C@@H](O1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCC[*:1]
CC(C)CCO[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 CC1(C)OC[C@@H](O1)[*:1] CC(C)CCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1[*:1]
CC(C)CCO[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 CC(C)CCO[*:1] CC1(C)OC[C@@H](O1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1[*:1]
CC(C)CCO[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 CC(C)CC[*:1] CC1(C)OC[C@@H](O1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O[*:1]
C[C@H]1CN([C@@H](C)CC(=O)[O-])C[C@@H](C)O1 O=C([O-])C[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@@H](C)[*:1]
C[C@H]1CN([C@@H](C)CC(=O)[O-])C[C@@H](C)O1 O=C([O-])[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@@H](C)C[*:1]
COc1cccc(COC(=O)c2nnn(-c3ccccc3OC)c2C)c1 COc1cccc(c1)[*:1] COc1ccccc1-n1nnc(C(=O)OC[*:1])c1C
COc1cccc(COC(=O)c2nnn(-c3ccccc3OC)c2C)c1 COc1ccccc1[*:1] COc1cccc(c1)COC(=O)c1nnn(c1C)[*:1]
Cc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCCC3)c2)c1C Cc1cccc(c1C)[*:1] O=C(Cn1cnc(c1)S(=O)(=O)N1CCCCCC1)N[*:1]
O=C(Oc1ccc(-n2cnnn2)cc1)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Oc1ccc(cc1)-n1cnnn1)C1(CC1)[*:1]
O=C(Oc1ccc(-n2cnnn2)cc1)C1(c2ccc(F)cc2)CC1 c1nnnn1[*:1] O=C(Oc1ccc(cc1)[*:1])C1(CC1)c1ccc(F)cc1
CCOc1ccc(/C=C2\SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC COC(=O)[*:1] CCOc1ccc(/C=C2\SC(=O)N(C2=O)[C@H](C)[*:1])cc1OC
CCOc1ccc(/C=C2\SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC CCO[*:1] COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(c(c2)OC)[*:1])C1=O
CCOc1ccc(/C=C2\SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC COC(=O)[C@@H](C)[*:1] CCOc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1OC
CN(Cc1ccncc1)C(=O)N[C@H](c1cccs1)C(C)(C)C c1cc(ccn1)C[*:1] CN(C(=O)N[C@H](c1cccs1)C(C)(C)C)[*:1]
CN(Cc1ccncc1)C(=O)N[C@H](c1cccs1)C(C)(C)C c1csc(c1)[*:1] CN(Cc1ccncc1)C(=O)N[C@H](C(C)(C)C)[*:1]
CN(Cc1ccncc1)C(=O)N[C@H](c1cccs1)C(C)(C)C CC(C)(C)[*:1] CN(Cc1ccncc1)C(=O)N[C@H](c1cccs1)[*:1]
CN(Cc1ccncc1)C(=O)N[C@H](c1cccs1)C(C)(C)C c1cc(ccn1)[*:1] CN(C[*:1])C(=O)N[C@H](c1cccs1)C(C)(C)C
O=C([O-])c1nccnc1C(=O)Nc1n[nH]c2ncccc12 O=C([O-])[*:1] O=C(Nc1n[nH]c2ncccc12)c1nccnc1[*:1]
CC[NH2+][C@H](Cc1cccnc1)[C@@H]1CCO[C@]2(CCOC2)C1 c1cncc(c1)[*:1] CC[NH2+][C@H](C[*:1])[C@@H]1CCO[C@]2(CCOC2)C1
CC[NH2+][C@H](Cc1cccnc1)[C@@H]1CCO[C@]2(CCOC2)C1 c1cncc(c1)C[*:1] CC[NH2+][C@H]([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
Cc1nn(CC[C@H]2CCC[C@]2(CO)[NH2+]C2CC2)c(C)c1Cl C1CC1[*:1] Cc1nn(CC[C@H]2CCC[C@]2(CO)[NH2+][*:1])c(C)c1Cl
N#Cc1ccc(S(=O)(=O)CCn2cc(-c3ccccc3)cn2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)CCn1cc(cn1)[*:1]
N#Cc1ccc(S(=O)(=O)CCn2cc(-c3ccccc3)cn2)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(CCn1cc(cn1)-c1ccccc1)[*:1]
Cc1cnn(-c2ccc(NC(=O)N3CCOC[C@H]3C3CC3)cc2F)c1 C1CC1[*:1] Cc1cnn(c1)-c1ccc(cc1F)NC(=O)N1CCOC[C@@H]1[*:1]
Cc1cnn(-c2ccc(NC(=O)N3CCOC[C@H]3C3CC3)cc2F)c1 Cc1cnn(c1)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])N1CCOC[C@H]1C1CC1
COc1ccc(N2C[C@@H](c3nnc(NC(=O)C[C@H](C)c4ccccc4)s3)CC2=O)cc1 COc1ccc(cc1)[*:1] C[C@@H](CC(=O)Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1])c1ccccc1
COc1ccc(N2C[C@@H](c3nnc(NC(=O)C[C@H](C)c4ccccc4)s3)CC2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)C[C@H](C)[*:1])s1
COc1ccc(N2C[C@@H](c3nnc(NC(=O)C[C@H](C)c4ccccc4)s3)CC2=O)cc1 C[C@H](c1ccccc1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)C[*:1])s1
COc1ccc(N2C[C@@H](c3nnc(NC(=O)C[C@H](C)c4ccccc4)s3)CC2=O)cc1 C[C@@H](C[*:1])c1ccccc1 COc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)[*:1])s1
CC(C)(C)OC(=O)CN1CCN(Cc2nc(N)c3ccccc3n2)CC1 CC(C)(C)OC(=O)[*:1] Nc1nc(CN2CCN(CC2)C[*:1])nc2ccccc12
CC(C)(C)OC(=O)CN1CCN(Cc2nc(N)c3ccccc3n2)CC1 CC(C)(C)OC(=O)C[*:1] Nc1nc(CN2CCN(CC2)[*:1])nc2ccccc12
CC(C)(C)OC(=O)CN1CCN(Cc2nc(N)c3ccccc3n2)CC1 CC(C)(C)[*:1] Nc1nc(CN2CCN(CC2)CC(=O)O[*:1])nc2ccccc12
C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1 c1nnnn1[*:1] C[C@@H]1CCCN(C1)C(=O)c1cc(Cl)ccc1[*:1]
Cc1c(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cnn1C Cc1c(cnn1C)[*:1] C[C@H]1CCc2c(C1)sc1ncn(C[*:1])c(=O)c21
Cc1ccc(NC(=O)N(CCO)Cc2ccccc2)cc1C(=O)N(C)C c1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)N(CCO)C[*:1]
Cc1ccc(NC(=O)N(CCO)Cc2ccccc2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N(CCO)Cc1ccccc1
Cc1ccc(NC(=O)N(CCO)Cc2ccccc2)cc1C(=O)N(C)C c1ccc(cc1)C[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)N(CCO)[*:1]
Cc1ccc(NC(=O)N(CCO)Cc2ccccc2)cc1C(=O)N(C)C OCC[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)N(Cc1ccccc1)[*:1]
O=C(CCc1ccco1)NCCOc1ccccc1 c1coc(c1)C[*:1] O=C(C[*:1])NCCOc1ccccc1
O=C(CCc1ccco1)NCCOc1ccccc1 c1coc(c1)[*:1] O=C(CC[*:1])NCCOc1ccccc1
O=C(CCc1ccco1)NCCOc1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1ccco1)NCCO[*:1]
C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@@H](Sc1nnc(Nc2ccccc2F)s1)[*:1]
C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N1CCCCC1 Fc1ccccc1[*:1] C[C@@H](Sc1nnc(N[*:1])s1)C(=O)N1CCCCC1
C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N1CCCCC1 Fc1ccccc1N[*:1] C[C@@H](Sc1nnc(s1)[*:1])C(=O)N1CCCCC1
COC(C)(C)CNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl COC(C)(C)C[*:1] O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)N[*:1]
COC(C)(C)CNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl COC(C)(C)[*:1] O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)NC[*:1]
C[C@@H](C(=O)NC1CC1)S(=O)(=O)C[C@@H]1CCCO1 C1CC1[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)C[C@@H]1CCCO1
C[C@@H](C(=O)NC1CC1)S(=O)(=O)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](C(=O)NC1CC1)S(=O)(=O)C[*:1]
CCOc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(Cc1ccncc1)C3 c1cc(ccn1)C[*:1] CCOc1ccccc1Oc1c(C)oc2c3CN(COc3ccc2c1=O)[*:1]
CCOc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(Cc1ccncc1)C3 CCO[*:1] Cc1oc2c3CN(COc3ccc2c(=O)c1Oc1ccccc1[*:1])Cc1ccncc1
CCOc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(Cc1ccncc1)C3 CCOc1ccccc1O[*:1] Cc1oc2c3CN(COc3ccc2c(=O)c1[*:1])Cc1ccncc1
CCOc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(Cc1ccncc1)C3 CCOc1ccccc1[*:1] Cc1oc2c3CN(COc3ccc2c(=O)c1O[*:1])Cc1ccncc1
CCOc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(Cc1ccncc1)C3 c1cc(ccn1)[*:1] CCOc1ccccc1Oc1c(C)oc2c3CN(COc3ccc2c1=O)C[*:1]
CCC(CC)[NH+](C)CC1(CS)CCCCCC1 CCC(CC)[*:1] C[NH+](CC1(CS)CCCCCC1)[*:1]
CC1(C)CCC(C[NH3+])(O[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 CS(=O)(=O)[*:1] CC1(C)CCC(C[NH3+])(CC1)O[C@H]1CCC[C@@H](C1)[*:1]
CCC[NH2+][C@H]1CCN(c2cc(OC)ccc2OC)C1 CCC[*:1] COc1ccc(OC)c(c1)N1CC[C@@H](C1)[NH2+][*:1]
CNS(=O)(=O)c1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1 CNS(=O)(=O)c1ccc(s1)[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1 CNS(=O)(=O)[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(s1)[*:1]
CC[C@]1(C(C)C)NC(=O)N(Cc2cc(C(=O)OC)sc2C)C1=O COC(=O)[*:1] CC[C@@]1(NC(=O)N(Cc2cc(sc2C)[*:1])C1=O)C(C)C
CC[C@]1(C(C)C)NC(=O)N(Cc2cc(C(=O)OC)sc2C)C1=O CC(C)[*:1] CC[C@@]1(NC(=O)N(Cc2cc(sc2C)C(=O)OC)C1=O)[*:1]
COC(CNC(=O)[C@H](C)n1nc(C)c2ccccc21)OC COC(OC)[*:1] Cc1nn(c2ccccc12)[C@@H](C)C(=O)NC[*:1]
COC(CNC(=O)[C@H](C)n1nc(C)c2ccccc21)OC COC(C[*:1])OC Cc1nn(c2ccccc12)[C@@H](C)C(=O)N[*:1]
CCc1cc(-c2n[nH]c(C)c2Oc2ccccc2)c(O)cc1OC c1ccc(cc1)O[*:1] CCc1cc(c(O)cc1OC)-c1n[nH]c(C)c1[*:1]
CCc1cc(-c2n[nH]c(C)c2Oc2ccccc2)c(O)cc1OC c1ccc(cc1)[*:1] CCc1cc(c(O)cc1OC)-c1n[nH]c(C)c1O[*:1]
Cc1n[nH]c(SCC[C@@H]2CCC[C@]2([NH2+]C(C)C)C(=O)[O-])n1 Cc1n[nH]c(n1)[*:1] CC(C)[NH2+][C@@]1(CCC[C@H]1CCS[*:1])C(=O)[O-]
Cc1n[nH]c(SCC[C@@H]2CCC[C@]2([NH2+]C(C)C)C(=O)[O-])n1 Cc1n[nH]c(n1)S[*:1] CC(C)[NH2+][C@@]1(CCC[C@H]1CC[*:1])C(=O)[O-]
Cc1n[nH]c(SCC[C@@H]2CCC[C@]2([NH2+]C(C)C)C(=O)[O-])n1 CC(C)[*:1] Cc1n[nH]c(n1)SCC[C@@H]1CCC[C@]1([NH2+][*:1])C(=O)[O-]
Cc1n[nH]c(SCC[C@@H]2CCC[C@]2([NH2+]C(C)C)C(=O)[O-])n1 O=C([O-])[*:1] Cc1n[nH]c(n1)SCC[C@@H]1CCC[C@@]1([NH2+]C(C)C)[*:1]
Cc1cc(N[C@H](C)[C@H](C)CO)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(nc(n1)[*:1])N[C@H](C)[C@H](C)CO
Cc1cc(N[C@H](C)[C@H](C)CO)nc(-c2ccccn2)n1 C[C@H](CO)[*:1] Cc1cc(nc(n1)-c1ccccn1)N[C@H](C)[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)CCCOc1ccccc1F Fc1ccccc1[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)CCCO[*:1]
O=C(/C=C\c1ccco1)Nc1nnc2ccccn12 c1coc(c1)[*:1] O=C(C=C[*:1])Nc1nnc2ccccn12
CCn1nc(C)cc1-c1nnc(CCC(=O)NC)o1 CNC(=O)CC[*:1] CCn1nc(C)cc1-c1nnc(o1)[*:1]
CCn1nc(C)cc1-c1nnc(CCC(=O)NC)o1 CNC(=O)C[*:1] CCn1nc(C)cc1-c1nnc(C[*:1])o1
CCn1nc(C)cc1-c1nnc(CCC(=O)NC)o1 CNC(=O)[*:1] CCn1nc(C)cc1-c1nnc(CC[*:1])o1
CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)C1 O=C1CCC(=O)N1[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)Nc1ccc(c(C)c1)[*:1]
CCO[C@H](C)c1nc(CC(=O)Nc2cccc(-c3cn[nH]c3)c2)cs1 c1n[nH]cc1[*:1] CCO[C@H](C)c1nc(cs1)CC(=O)Nc1cccc(c1)[*:1]
CCO[C@H](C)c1nc(CC(=O)Nc2cccc(-c3cn[nH]c3)c2)cs1 CCO[*:1] C[C@H](c1nc(cs1)CC(=O)Nc1cccc(c1)-c1cn[nH]c1)[*:1]
C[C@@H](CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)C[NH+]1CCCCC1 c1ccc2[nH]c(nc2c1)[*:1] C[C@@H](CNC(=O)N1CCC[C@@H]1[*:1])C[NH+]1CCCCC1
Cc1cc([C@@H](C)NC(=O)NC[C@@H](O)C(C)(C)C)cc(C)c1F CC(C)(C)[C@H](O)[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)NC[*:1]
Cc1cc([C@@H](C)NC(=O)NC[C@@H](O)C(C)(C)C)cc(C)c1F CC(C)(C)[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)NC[C@@H](O)[*:1]
Cc1cc([C@@H](C)NC(=O)NC[C@@H](O)C(C)(C)C)cc(C)c1F CC(C)(C)[C@H](O)C[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)N[*:1]
CC(C)c1ccc(N2CC[C@H](C(=O)NCCc3ccccc3)C2=O)cc1 CC(C)[*:1] O=C(NCCc1ccccc1)[C@H]1CCN(C1=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(N2CC[C@H](C(=O)NCCc3ccccc3)C2=O)cc1 c1ccc(cc1)CC[*:1] CC(C)c1ccc(cc1)N1CC[C@H](C(=O)N[*:1])C1=O
CC(C)c1ccc(N2CC[C@H](C(=O)NCCc3ccccc3)C2=O)cc1 c1ccc(cc1)C[*:1] CC(C)c1ccc(cc1)N1CC[C@H](C(=O)NC[*:1])C1=O
CC(C)c1ccc(N2CC[C@H](C(=O)NCCc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)N1CC[C@H](C(=O)NCC[*:1])C1=O
Cc1ccc(NC(=O)N2CCN(c3nc4cccnc4s3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)c1nc2cccnc2s1
Nc1nc(N2C[C@@H](O)C[C@@H]2C2CCCCC2)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Nc1nc(cc(n1)[*:1])N1C[C@@H](O)C[C@@H]1C1CCCCC1
Nc1nc(N2C[C@@H](O)C[C@@H]2C2CCCCC2)cc(-n2cccn2)n1 C1CCC(CC1)[*:1] Nc1nc(cc(n1)-n1cccn1)N1C[C@@H](O)C[C@H]1[*:1]
CC[C@](C)([C@@H](CC1CCOCC1)[NH2+]C)N(C)C CN(C)[*:1] CC[C@](C)([C@@H](CC1CCOCC1)[NH2+]C)[*:1]
CCCN1CCO[C@@H](c2nc(C)c(I)c(=O)[nH]2)C1 CCC[*:1] Cc1nc([nH]c(=O)c1I)[C@H]1CN(CCO1)[*:1]
CC[C@@H]1CCCC[C@H]1NC(=O)Cn1nnnc1C(C)C CC(C)[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)Cn1nnnc1[*:1]
CCOC(=O)c1sc(C)c2c1N[C@H](c1ccc(Cl)cc1)N(C1CCCCC1)C2=O Clc1ccc(cc1)[*:1] CCOC(=O)c1sc(C)c2C(=O)N(C3CCCCC3)[C@@H](Nc12)[*:1]
CCOC(=O)c1sc(C)c2c1N[C@H](c1ccc(Cl)cc1)N(C1CCCCC1)C2=O CCOC(=O)[*:1] Cc1sc(c2N[C@H](c3ccc(Cl)cc3)N(C(=O)c12)C1CCCCC1)[*:1]
CCOC(=O)c1sc(C)c2c1N[C@H](c1ccc(Cl)cc1)N(C1CCCCC1)C2=O C1CCC(CC1)[*:1] CCOC(=O)c1sc(C)c2C(=O)N([C@H](Nc12)c1ccc(Cl)cc1)[*:1]
CCc1cccc(NC(=O)Cc2nc(Cc3ccc(F)cc3)n[nH]2)c1 Fc1ccc(cc1)C[*:1] CCc1cccc(c1)NC(=O)Cc1nc(n[nH]1)[*:1]
CCc1cccc(NC(=O)Cc2nc(Cc3ccc(F)cc3)n[nH]2)c1 CCc1cccc(c1)[*:1] O=C(Cc1nc(Cc2ccc(F)cc2)n[nH]1)N[*:1]
CCc1cccc(NC(=O)Cc2nc(Cc3ccc(F)cc3)n[nH]2)c1 Fc1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)Cc1nc(C[*:1])n[nH]1
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1cccn1C)[NH+]1CCOCC1 Cc1ccc(cc1[*:1])[N+](=O)[O-] Cn1cccc1[C@H](CNC(=O)C(=O)N[*:1])[NH+]1CCOCC1
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1cccn1C)[NH+]1CCOCC1 Cn1cccc1[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@@H]([NH+]1CCOCC1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1cccn1C)[NH+]1CCOCC1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@@H](c1cccn1C)[NH+]1CCOCC1)[*:1]
C[C@H](NC(=O)CNC(=O)c1cccs1)c1cccc(N2CCCC2)c1 c1csc(c1)[*:1] C[C@H](NC(=O)CNC(=O)[*:1])c1cccc(c1)N1CCCC1
C[C@H](NC(=O)CNC(=O)c1cccs1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H](NC(=O)CNC(=O)c1cccs1)c1cccc(c1)[*:1]
C[C@H](NC(=O)CNC(=O)c1cccs1)c1cccc(N2CCCC2)c1 O=C(N[*:1])c1cccs1 C[C@H](NC(=O)C[*:1])c1cccc(c1)N1CCCC1
COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)CC1CCCC1)CC2 C1CCC(C1)[*:1] COCc1nc2CC[C@@H](Cn2n1)[NH2+][C@H](C)C[*:1]
COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)CC1CCCC1)CC2 COC[*:1] C[C@H](CC1CCCC1)[NH2+][C@H]1CCc2nc(nn2C1)[*:1]
COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)CC1CCCC1)CC2 C1CCC(C1)C[*:1] COCc1nc2CC[C@@H](Cn2n1)[NH2+][C@H](C)[*:1]
O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)NCc3ccc(F)cc3)C2)s1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)NCc3ccc(F)cc3)C2)s1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)NC[*:1]
O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)NCc3ccc(F)cc3)C2)s1 Clc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)[C@H]1CCCN(C1)C(=O)NCc1ccc(F)cc1
O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)NCc3ccc(F)cc3)C2)s1 O=C(Nc1ccc(Cl)cc1)[*:1] O=C(NCc1ccc(F)cc1)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1 Cc1ccc(cc1)[*:1] C[C@@]1(Cn2cnc(C(=O)NC[*:1])c2C(=O)N1C1CC1)C(=O)NCc1ccc(F)cc1
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1 Cc1ccc(cc1)CNC(=O)[*:1] C[C@@]1(Cn2cnc(c2C(=O)N1C1CC1)[*:1])C(=O)NCc1ccc(F)cc1
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)CNC(=O)c1ncn2C[C@](C)(C(=O)N[*:1])N(C(=O)c12)C1CC1
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)c1ncn2C[C@](C)(C(=O)NC[*:1])N(C(=O)c12)C1CC1
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1 Cc1ccc(cc1)C[*:1] C[C@@]1(Cn2cnc(C(=O)N[*:1])c2C(=O)N1C1CC1)C(=O)NCc1ccc(F)cc1
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1 O=C(NCc1ccc(F)cc1)[*:1] Cc1ccc(cc1)CNC(=O)c1ncn2C[C@](C)(N(C(=O)c12)C1CC1)[*:1]
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1 C1CC1[*:1] Cc1ccc(cc1)CNC(=O)c1ncn2C[C@](C)(C(=O)NCc3ccc(F)cc3)N(C(=O)c12)[*:1]
c1nc(N2CCCC[C@H]2Cn2cncn2)c2sccc2n1 c1ncn(C[*:1])n1 c1nc(c2sccc2n1)N1CCCC[C@@H]1[*:1]
c1nc(N2CCCC[C@H]2Cn2cncn2)c2sccc2n1 c1ncn(n1)[*:1] c1nc(c2sccc2n1)N1CCCC[C@H]1C[*:1]
CO[C@]1(C)C[C@@H](N(C)C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)C1(C)C c1ccc(cc1)[*:1] CO[C@]1(C)C[C@@H](N(C)C(=O)NC[C@@H]2CCO[C@H]2[*:1])C1(C)C
COC(=O)/C=c1\s/c(=C(\C#N)C(=O)N2CCOCC2)n(-c2ccccc2)c1=O O=C(N1CCOCC1)[*:1] COC(=O)/C=c1\sc(=C(C#N)[*:1])n(-c2ccccc2)c1=O
COC(=O)/C=c1\s/c(=C(\C#N)C(=O)N2CCOCC2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] COC(=O)/C=c1\s/c(=C(\C#N)C(=O)N2CCOCC2)n(c1=O)[*:1]
COC(=O)/C=c1\s/c(=C(\C#N)C(=O)N2CCOCC2)n(-c2ccccc2)c1=O COC(=O)[*:1] N#C/C(C(=O)N1CCOCC1)=c1\sc(=C[*:1])c(=O)n1-c1ccccc1
O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccco1 O=C(N[*:1])c1ccco1 O=C(c1cccs1)N1CCc2ccc(cc21)[*:1]
O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccco1 c1coc(c1)[*:1] O=C(c1cccs1)N1CCc2ccc(cc21)NC(=O)[*:1]
O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccco1 c1csc(c1)[*:1] O=C(Nc1ccc2CCN(C(=O)[*:1])c2c1)c1ccco1
CCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1C CCCC[*:1] C[C@H]1CCCC[C@H]1NS(=O)(=O)[*:1]
CCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1C CCC[*:1] C[C@H]1CCCC[C@H]1NS(=O)(=O)C[*:1]
O=C(Nc1ccccc1)N1CCN(c2c(Cl)cncc2Cl)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)c1c(Cl)cncc1Cl
CCc1ccc2[nH]c(=O)c(C[NH2+]Cc3cccnc3)cc2c1 c1cncc(c1)[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)C[NH2+]C[*:1]
CCc1ccc2[nH]c(=O)c(C[NH2+]Cc3cccnc3)cc2c1 c1cncc(c1)C[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)C[NH2+][*:1]
COc1ccc2[nH]cc(CCNC(=O)NCc3ncn(C)n3)c2c1 Cn1cnc(n1)[*:1] COc1ccc2[nH]cc(CCNC(=O)NC[*:1])c2c1
COc1ccc2[nH]cc(CCNC(=O)NCc3ncn(C)n3)c2c1 Cn1cnc(C[*:1])n1 COc1ccc2[nH]cc(CCNC(=O)N[*:1])c2c1
C/C=C(\C)C(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 CC=C(C)[*:1] COc1ccc(cc1)[C@@H]1CCN(C1)C(=O)[*:1]
O=C(Cc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1)[*:1]
O=C(Cc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
O=C(Cc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(C[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1
NC(=O)c1cc(OC2CCN(C(=O)NCC(C3CC3)C3CC3)CC2)ccn1 C1CC1C(C[*:1])C1CC1 NC(=O)c1cc(ccn1)OC1CCN(CC1)C(=O)N[*:1]
NC(=O)c1cc(OC2CCN(C(=O)NCC(C3CC3)C3CC3)CC2)ccn1 NC(=O)[*:1] O=C(NCC(C1CC1)C1CC1)N1CCC(CC1)Oc1ccnc(c1)[*:1]
NC(=O)c1cc(OC2CCN(C(=O)NCC(C3CC3)C3CC3)CC2)ccn1 NC(=O)c1cc(ccn1)[*:1] O=C(NCC(C1CC1)C1CC1)N1CCC(CC1)O[*:1]
NC(=O)c1cc(OC2CCN(C(=O)NCC(C3CC3)C3CC3)CC2)ccn1 C1CC1C(C1CC1)[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)C(=O)NC[*:1]
NC(=O)c1cc(OC2CCN(C(=O)NCC(C3CC3)C3CC3)CC2)ccn1 C1CC1[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)C(=O)NCC(C1CC1)[*:1]
COc1ccc(F)c(NCC(=O)NCC(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] COc1ccc(F)c(c1)NCC(=O)NC[*:1]
C[C@H](OCC1CC1)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 C1CC1CO[*:1] C[C@H](C(=O)N1CCC(CC1)CC(=O)N1CCCC1)[*:1]
C[C@H](OCC1CC1)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] C[C@H](OCC1CC1)C(=O)N1CCC(CC1)C[*:1]
C[C@H](OCC1CC1)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 C1CC1C[*:1] C[C@H](O[*:1])C(=O)N1CCC(CC1)CC(=O)N1CCCC1
C[C@H](OCC1CC1)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 C1CC1[*:1] C[C@H](OC[*:1])C(=O)N1CCC(CC1)CC(=O)N1CCCC1
COc1ccc(NC(=O)[C@@H]2CCCN2c2nc(C(C)C)ns2)cc1 CC(C)c1nsc(n1)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CCCN1[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN2c2nc(C(C)C)ns2)cc1 COc1ccc(cc1)[*:1] CC(C)c1nsc(n1)N1CCC[C@H]1C(=O)N[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN2c2nc(C(C)C)ns2)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CCCN1c1nc(ns1)[*:1]
CC1=C(/C=N/NC(=O)[C@@H]2C=C(c3ccco3)N=N2)[C@@H](C)N(c2ccccc2)N1 c1ccc(cc1)[*:1] CC1NN([C@H](C)C=1/C=N/NC(=O)[C@@H]1C=C(N=N1)c1ccco1)[*:1]
CC1=C(/C=N/NC(=O)[C@@H]2C=C(c3ccco3)N=N2)[C@@H](C)N(c2ccccc2)N1 c1coc(c1)[*:1] CC1NN(c2ccccc2)[C@H](C)C=1/C=N/NC(=O)[C@@H]1C=C(N=N1)[*:1]
Cc1ccc(C(=O)NNC(=O)NC[C@H]2C[C@@]23CCc2ccccc23)s1 Cc1ccc(s1)[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)NNC(=O)[*:1]
CC(C)CS(=O)(=O)CC[C@H]1CCC[C@H]1[NH3+] CC(C)C[*:1] [NH3+][C@@H]1CCC[C@@H]1CCS(=O)(=O)[*:1]
CC(C)CS(=O)(=O)CC[C@H]1CCC[C@H]1[NH3+] CC(C)[*:1] [NH3+][C@@H]1CCC[C@@H]1CCS(=O)(=O)C[*:1]
COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)N[*:1]
COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)NC(=O)CCNS(=O)(=O)[*:1]
Cc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3cccnc3)nc2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H](NC(=O)Nc1ccc(nc1)Oc1cccnc1)[*:1]
Cc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3cccnc3)nc2)c(C)o1 c1cncc(c1)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)Nc1ccc(nc1)O[*:1]
Cc1cc([C@@H](C)NC(=O)Nc2ccc(Oc3cccnc3)nc2)c(C)o1 c1cncc(c1)O[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)Nc1ccc(nc1)[*:1]
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)CNc1ccccc1 c1ccc(cc1)N[*:1] Cc1nn(-c2ccccc2)c(c1/C=N/NC(=O)C[*:1])N1CCCC1
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)CNc1ccccc1 C1CCN(C1)[*:1] Cc1nn(-c2ccccc2)c(c1/C=N/NC(=O)CNc1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)CNc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(c1/C=N/NC(=O)CN[*:1])N1CCCC1
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)CNc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(c1/C=N/NC(=O)CNc1ccccc1)N1CCCC1)[*:1]
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)CNc1ccccc1 c1ccc(cc1)NC[*:1] Cc1nn(-c2ccccc2)c(c1/C=N/NC(=O)[*:1])N1CCCC1
Cc1ccc([C@H]2OCCC[C@H]2NC(=O)NCc2ncnn2C)cc1 Cn1ncnc1C[*:1] Cc1ccc(cc1)[C@H]1OCCC[C@H]1NC(=O)N[*:1]
Cc1ccc([C@H]2OCCC[C@H]2NC(=O)NCc2ncnn2C)cc1 Cc1ccc(cc1)[*:1] Cn1ncnc1CNC(=O)N[C@@H]1CCCO[C@@H]1[*:1]
Cc1ccc([C@H]2OCCC[C@H]2NC(=O)NCc2ncnn2C)cc1 Cn1ncnc1[*:1] Cc1ccc(cc1)[C@H]1OCCC[C@H]1NC(=O)NC[*:1]
Cc1nc(COc2ccccc2C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)no1 Cc1nc(CO[*:1])no1 O=C(NCc1ccc([nH+]c1)N1CCOCC1)c1ccccc1[*:1]
Cc1nc(COc2ccccc2C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)no1 C1CN(CCO1)[*:1] Cc1nc(COc2ccccc2C(=O)NCc2ccc([nH+]c2)[*:1])no1
Cc1nc(COc2ccccc2C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)no1 Cc1nc(C[*:1])no1 O=C(NCc1ccc([nH+]c1)N1CCOCC1)c1ccccc1O[*:1]
Cc1nc(COc2ccccc2C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)no1 Cc1nc(no1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCOCC1)c1ccccc1OC[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1ccc(F)c(C(N)=O)c1 NC(=O)[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1ccc(F)c(C(N)=O)c1 CC(C)[*:1] C[C@@H]1CC[C@@H]([C@@H](C1)NC(=O)Nc1ccc(F)c(c1)C(N)=O)[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)CC2(O)CCCCC2)CC1 OC1(CCCCC1)C[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)C(=O)[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)CC2(O)CCCCC2)CC1 OC1(CCCCC1)[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)C(=O)C[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)CC2(O)CCCCC2)CC1 CCOc1ccccc1[*:1] O=C(CC1(O)CCCCC1)N1CCN(CC1)C(=O)[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)CC2(O)CCCCC2)CC1 CCO[*:1] O=C(CC1(O)CCCCC1)N1CCN(CC1)C(=O)c1ccccc1[*:1]
O=C(NC1CC1)c1cc(N2C[C@H]3CC=CC[C@H]3C2)nc2ccccc12 C1CC1[*:1] O=C(N[*:1])c1cc(nc2ccccc12)N1C[C@H]2CC=CC[C@H]2C1
O=C(NC1CC1)c1cc(N2C[C@H]3CC=CC[C@H]3C2)nc2ccccc12 O=C(NC1CC1)[*:1] C1=CC[C@H]2CN(C[C@H]2C1)c1cc(c2ccccc2n1)[*:1]
CO[C@]1(C)C[C@@H](N[C@H](C(=O)NC2CC2)c2ccccc2)C1(C)C C1CC1[*:1] CO[C@]1(C)C[C@@H](N[C@H](C(=O)N[*:1])c2ccccc2)C1(C)C
CO[C@]1(C)C[C@@H](N[C@H](C(=O)NC2CC2)c2ccccc2)C1(C)C c1ccc(cc1)[*:1] CO[C@]1(C)C[C@@H](N[C@H](C(=O)NC2CC2)[*:1])C1(C)C
CO[C@]1(C)C[C@@H](N[C@H](C(=O)NC2CC2)c2ccccc2)C1(C)C O=C(NC1CC1)[*:1] CO[C@]1(C)C[C@@H](N[C@H](c2ccccc2)[*:1])C1(C)C
COC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C)C[C@H]1C COC(=O)[*:1] C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)[*:1])[C@H](C)C1
CC[C@H]1Cn2c(C(=O)NCCOC)cc3cccc(c32)O1 COCC[*:1] CC[C@H]1Cn2c(cc3cccc(O1)c32)C(=O)N[*:1]
CC[C@H]1Cn2c(C(=O)NCCOC)cc3cccc(c32)O1 COC[*:1] CC[C@H]1Cn2c(cc3cccc(O1)c32)C(=O)NC[*:1]
CC[C@H]1Cn2c(C(=O)NCCOC)cc3cccc(c32)O1 COCCNC(=O)[*:1] CC[C@H]1Cn2c(cc3cccc(O1)c32)[*:1]
CCOC[C@H]1CCN(C(=O)N[C@@H](CC)c2ccc(OC)cc2)C1 CCOC[*:1] CC[C@H](NC(=O)N1CC[C@@H](C1)[*:1])c1ccc(cc1)OC
CCOC[C@H]1CCN(C(=O)N[C@@H](CC)c2ccc(OC)cc2)C1 CCO[*:1] CC[C@H](NC(=O)N1CC[C@@H](C1)C[*:1])c1ccc(cc1)OC
CC(=O)C[C@H]1CCCN1C(=O)c1cc(F)c(F)c([O-])c1F CC(=O)C[*:1] O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H]1[*:1]
CC(=O)C[C@H]1CCCN1C(=O)c1cc(F)c(F)c([O-])c1F CC(=O)[*:1] O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H]1C[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1 C1CC1C[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1 C1CC1[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)c1cccc(c1)S(=O)(=O)NC[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1 O=S(=O)(NCC1CC1)[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)c1cccc(c1)[*:1]
CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O c1ccc(cc1)[*:1] CCCCOC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O CCCC[*:1] O=C(O[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O CCC[*:1] O=C(OC[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
CCN(c1cc(C)c([N+](=O)[O-])cn1)[C@@H](C)c1cccnc1 O=[N+]([O-])[*:1] CCN(c1cc(C)c(cn1)[*:1])[C@@H](C)c1cccnc1
CCN(c1cc(C)c([N+](=O)[O-])cn1)[C@@H](C)c1cccnc1 c1cncc(c1)[*:1] CCN(c1cc(C)c(cn1)[N+](=O)[O-])[C@@H](C)[*:1]
Cc1csc(N2CCCN(C(=O)[C@H](Sc3ccccc3)c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N1CCCN(CC1)C(=O)[C@H](S[*:1])c1ccccc1
Cc1csc(N2CCCN(C(=O)[C@H](Sc3ccccc3)c3ccccc3)CC2)n1 c1ccc(cc1)S[*:1] Cc1csc(n1)N1CCCN(CC1)C(=O)[C@H](c1ccccc1)[*:1]
Cc1csc(N2CCCN(C(=O)[C@H](Sc3ccccc3)c3ccccc3)CC2)n1 Cc1csc(n1)[*:1] O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCCN(CC1)[*:1]
Cc1csc(N2CCCN(C(=O)[C@H](Sc3ccccc3)c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N1CCCN(CC1)C(=O)[C@H](Sc1ccccc1)[*:1]
CC(C)(C)[C@H]1C[NH2+]C[C@H](c2ccccc2)O1 CC(C)(C)[*:1] c1ccc(cc1)[C@H]1C[NH2+]C[C@@H](O1)[*:1]
COC(=O)C1CCN(C(=O)[C@@H](Sc2ncc[nH]2)C(C)C)CC1 COC(=O)[*:1] CC(C)[C@H](Sc1ncc[nH]1)C(=O)N1CCC(CC1)[*:1]
COC(=O)C1CCN(C(=O)[C@@H](Sc2ncc[nH]2)C(C)C)CC1 CC(C)[*:1] COC(=O)C1CCN(CC1)C(=O)[C@@H](Sc1ncc[nH]1)[*:1]
COC(=O)C1CCN(C(=O)[C@@H](Sc2ncc[nH]2)C(C)C)CC1 c1c[nH]c(n1)[*:1] COC(=O)C1CCN(CC1)C(=O)[C@@H](S[*:1])C(C)C
COC(=O)C1CCN(C(=O)[C@@H](Sc2ncc[nH]2)C(C)C)CC1 c1c[nH]c(n1)S[*:1] COC(=O)C1CCN(CC1)C(=O)[C@@H](C(C)C)[*:1]
O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)CCn2cccn2)C1 c1cnn(c1)CC[*:1] O=C(c1ccc(cc1)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)CCn2cccn2)C1 c1cnn(c1)C[*:1] O=C(c1ccc(cc1)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)C[*:1]
O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)CCn2cccn2)C1 FC(F)(F)[*:1] O=C(c1ccc(cc1)[*:1])[C@@H]1CCCN(C1)C(=O)CCn1cccn1
O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)CCn2cccn2)C1 c1cnn(c1)[*:1] O=C(c1ccc(cc1)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)CC[*:1]
Cc1noc(-c2ccc(C(=O)Nc3cccn(C)c3=O)cc2)n1 Cc1noc(n1)[*:1] Cn1cccc(NC(=O)c2ccc(cc2)[*:1])c1=O
CC[C@H](C)[C@H]1C[NH+]=C(N)N1[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)N1C(N)=[NH+]C[C@@H]1[*:1]
CC[C@H](C)[C@H]1C[NH+]=C(N)N1[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)[C@H]1C[NH+]=C(N)N1[*:1]
O=C([O-])C1(CCc2ccccn2)CCCCC1 O=C([O-])[*:1] c1ccc(CCC2(CCCCC2)[*:1])nc1
CCC(CC)(NC(=O)N[C@@H](C)[C@@H]1CCCO1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)N[C@@H](C)[C@@H]1CCCO1)[*:1]
CCC(CC)(NC(=O)N[C@@H](C)[C@@H]1CCCO1)C(=O)[O-] C1CO[C@@H](C1)[*:1] CCC(CC)(NC(=O)N[C@@H](C)[*:1])C(=O)[O-]
O=C(Nc1cccc(-c2cn3ccsc3n2)c1)[C@H]1COc2ccccc2O1 c1cn2cc(nc2s1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1COc2ccccc2O1
COC[C@@H](C)CNC(=O)c1nnn[n-]1 COC[*:1] C[C@@H](CNC(=O)c1nnn[n-]1)[*:1]
CCN(CC)c1nc(C)cc(C(=O)N(C)Cc2ccco2)n1 c1coc(c1)[*:1] CCN(CC)c1nc(C)cc(n1)C(=O)N(C)C[*:1]
CCN(CC)c1nc(C)cc(C(=O)N(C)Cc2ccco2)n1 c1coc(c1)C[*:1] CCN(CC)c1nc(C)cc(n1)C(=O)N(C)[*:1]
CCN(CC)c1nc(C)cc(C(=O)N(C)Cc2ccco2)n1 CCN(CC)[*:1] Cc1cc(nc(n1)[*:1])C(=O)N(C)Cc1ccco1
CCOc1cccc(CC(=O)Nc2ccnc(-c3ccccc3)n2)c1 CCO[*:1] O=C(Cc1cccc(c1)[*:1])Nc1ccnc(n1)-c1ccccc1
CCOc1cccc(CC(=O)Nc2ccnc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)CC(=O)Nc1ccnc(n1)[*:1]
COc1ccccc1C(=O)c1sc(Nc2ccc3c(c2)OCCO3)nc1N COc1ccccc1[*:1] Nc1nc(Nc2ccc3OCCOc3c2)sc1C(=O)[*:1]
COc1ccc(C(=O)N2CCN(Cc3csc(-c4ccco4)n3)CC2)c(F)c1 c1coc(c1)[*:1] COc1ccc(C(=O)N2CCN(CC2)Cc2csc(n2)[*:1])c(F)c1
COc1ccc(C(=O)N2CCN(Cc3csc(-c4ccco4)n3)CC2)c(F)c1 COc1ccc(c(F)c1)[*:1] O=C(N1CCN(CC1)Cc1csc(n1)-c1ccco1)[*:1]
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N1CCC(CC1)[C@H](O)[*:1]
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([C@H](O)c2ccccc2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([C@H](O)c2ccccc2)CC1 O[C@H](c1ccccc1)[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N1CCC(CC1)[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@H]3[C@@H]3CCCC3=O)C2)c1 O=C1CCC[C@H]1[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@@H](C1)C(=O)N1CCC[C@@H]1[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@H]3[C@@H]3CCCC3=O)C2)c1 Cc1cc(C)cc(c1)[*:1] O=C1CCC[C@H]1[C@@H]1CCCN1C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)[O-] FC(F)(F)[*:1] CC[C@H](Nc1cccc(c1)[*:1])C(=O)[O-]
CC[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](Nc1cccc(c1)C(F)(F)F)[*:1]
O=C(c1cnn(-c2ccccc2)n1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C(c1cnn(n1)-c1ccccc1)N1CCC(CC1)[*:1]
O=C(c1cnn(-c2ccccc2)n1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(c1cnn(n1)-c1ccccc1)N1CCC(CC1)O[*:1]
O=C(c1cnn(-c2ccccc2)n1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cnn(n1)-c1ccccc1)N1CCC(CC1)OC[*:1]
O=C(c1cnn(-c2ccccc2)n1)N1CCC(OCc2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(c1cnn(n1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(c1ccc(OCC2CC2)cc1)N1CCN(Cc2cc(=O)n3ccsc3[nH+]2)CC1 C1CC1C[*:1] O=C(c1ccc(cc1)O[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2[nH+]1
O=C(c1ccc(OCC2CC2)cc1)N1CCN(Cc2cc(=O)n3ccsc3[nH+]2)CC1 C1CC1[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2[nH+]1
O=C(c1ccc(OCC2CC2)cc1)N1CCN(Cc2cc(=O)n3ccsc3[nH+]2)CC1 C1CC1CO[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2[nH+]1
O=C1CCCC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 Oc1cccc(c1)[*:1] O=C1CCCC2Nc3ccccc3N[C@@H](C=21)[*:1]
Cc1nc(C2CC[NH+](Cc3ccnn3C)CC2)nc2c1CCC(=O)N2CC1CCCCC1 C1CCC(CC1)C[*:1] Cc1nc(nc2c1CCC(=O)N2[*:1])C1CC[NH+](CC1)Cc1ccnn1C
Cc1nc(C2CC[NH+](Cc3ccnn3C)CC2)nc2c1CCC(=O)N2CC1CCCCC1 Cn1nccc1[*:1] Cc1nc(nc2c1CCC(=O)N2CC1CCCCC1)C1CC[NH+](CC1)C[*:1]
Cc1nc(C2CC[NH+](Cc3ccnn3C)CC2)nc2c1CCC(=O)N2CC1CCCCC1 C1CCC(CC1)[*:1] Cc1nc(nc2c1CCC(=O)N2C[*:1])C1CC[NH+](CC1)Cc1ccnn1C
O=C([O-])CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C([O-])CCCNS(=O)(=O)c1ccc(cc1)[*:1]
O=C([O-])CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 O=C([O-])CC[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)NC[*:1]
O=C([O-])CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 O=C([O-])CCC[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)N[*:1]
O=C([O-])CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 O=C([O-])C[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)NCC[*:1]
O=C([O-])CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 O=C([O-])[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)NCCC[*:1]
O=C([O-])CSc1nc2cnccc2n1CCC(F)(F)F O=C([O-])CS[*:1] FC(F)(F)CCn1c(nc2cnccc21)[*:1]
O=C([O-])CSc1nc2cnccc2n1CCC(F)(F)F FC(F)(F)CC[*:1] O=C([O-])CSc1nc2cnccc2n1[*:1]
O=C([O-])CSc1nc2cnccc2n1CCC(F)(F)F FC(F)(F)C[*:1] O=C([O-])CSc1nc2cnccc2n1C[*:1]
O=C([O-])CSc1nc2cnccc2n1CCC(F)(F)F O=C([O-])[*:1] FC(F)(F)CCn1c(nc2cnccc21)SC[*:1]
O=C([O-])CSc1nc2cnccc2n1CCC(F)(F)F FC(F)(F)[*:1] O=C([O-])CSc1nc2cnccc2n1CC[*:1]
O=C([O-])CSc1nc2cnccc2n1CCC(F)(F)F O=C([O-])C[*:1] FC(F)(F)CCn1c(nc2cnccc21)S[*:1]
CC(C)NC(=O)CC[NH+](Cc1ccncc1)C1CC1 CC(C)[*:1] O=C(CC[NH+](Cc1ccncc1)C1CC1)N[*:1]
CC(C)NC(=O)CC[NH+](Cc1ccncc1)C1CC1 c1cc(ccn1)[*:1] CC(C)NC(=O)CC[NH+](C[*:1])C1CC1
CC(C)NC(=O)CC[NH+](Cc1ccncc1)C1CC1 C1CC1[*:1] CC(C)NC(=O)CC[NH+](Cc1ccncc1)[*:1]
CC(C)NC(=O)CC[NH+](Cc1ccncc1)C1CC1 CC(C)NC(=O)[*:1] c1cc(ccn1)C[NH+](CC[*:1])C1CC1
NNC(=O)CSc1nc2ccccc2o1 NNC(=O)[*:1] c1ccc2oc(nc2c1)SC[*:1]
NNC(=O)CSc1nc2ccccc2o1 NNC(=O)C[*:1] c1ccc2oc(nc2c1)S[*:1]
O=C(N[C@H](CCBr)C(=O)[O-])OCc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](CCBr)C(=O)[O-])OC[*:1]
O=C(N[C@H](CCBr)C(=O)[O-])OCc1ccccc1 O=C([O-])[*:1] O=C(N[C@H](CCBr)[*:1])OCc1ccccc1
O=C(N[C@H](CCBr)C(=O)[O-])OCc1ccccc1 BrCC[*:1] O=C(N[C@H](C(=O)[O-])[*:1])OCc1ccccc1
CC[C@@](C)(CCO)NC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] CC[C@@](C)(CCO)NC(=O)N[C@H]1CCCC[C@H]1[*:1]
CC[C@@](C)(CCO)NC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] CC[C@@](C)(CCO)NC(=O)N[C@H]1CCCC[C@@H]1O[*:1]
CC[C@@](C)(CCO)NC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 CC[C@@](C)(CCO)[*:1] O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)N[*:1]
CC[C@@](C)(CCO)NC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 OCC[*:1] CC[C@@](C)(NC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
COc1cc(C(C)=O)ccc1OCC(=O)Nc1c(C)nc2ccc(Cl)cn2c1=O CC(=O)[*:1] COc1cc(ccc1OCC(=O)Nc1c(C)nc2ccc(Cl)cn2c1=O)[*:1]
O=C(Cc1ccc(Cl)nc1)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cc1ccc(Cl)nc1)N[C@@H]1C[C@H]1[*:1]
O=C(Cc1ccc(Cl)nc1)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 Clc1ccc(cn1)[*:1] O=C(C[*:1])N[C@@H]1C[C@@H]1c1cccc(Cl)c1
Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1C O=S1(=O)CC[C@@H](C1)[*:1] Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccco2)[*:1])c1C
Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1C c1coc(c1)C[*:1] Cc1cccc(O[C@@H](C)C(=O)N([C@H]2CCS(=O)(=O)C2)[*:1])c1C
Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1C c1coc(c1)[*:1] Cc1cccc(O[C@@H](C)C(=O)N(C[*:1])[C@H]2CCS(=O)(=O)C2)c1C
Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1C Cc1cccc(c1C)[*:1] C[C@H](O[*:1])C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1
Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1C Cc1cccc(O[*:1])c1C C[C@@H](C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)[*:1]
COc1cccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)n1 Clc1ccc(cc1)C[*:1] COc1cccc(n1)C(=O)Nc1cnn(c1)[*:1]
COc1cccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)n1 COc1cccc(n1)[*:1] O=C(Nc1cnn(c1)Cc1ccc(Cl)cc1)[*:1]
COc1cccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)n1 Clc1ccc(cc1)[*:1] COc1cccc(n1)C(=O)Nc1cnn(c1)C[*:1]
O=C(NCc1cccc(F)c1)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(NCc1cccc(F)c1)[C@@H]1CC[C@@H](c2ccccc2)N(C1)C(=O)[*:1]
O=C(NCc1cccc(F)c1)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1 c1ccc(cc1)[*:1] O=C(NCc1cccc(F)c1)[C@@H]1CC[C@@H](N(C1)C(=O)c1ccc(Cl)cc1)[*:1]
O=C(NCc1cccc(F)c1)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1 Fc1cccc(c1)C[*:1] O=C(N[*:1])[C@@H]1CC[C@@H](c2ccccc2)N(C1)C(=O)c1ccc(Cl)cc1
O=C(NCc1cccc(F)c1)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1 Fc1cccc(c1)[*:1] O=C(NC[*:1])[C@@H]1CC[C@@H](c2ccccc2)N(C1)C(=O)c1ccc(Cl)cc1
C[C@H]1C[C@H]1C(=O)N(CC#N)C1CCCC1 C1CCC(C1)[*:1] C[C@H]1C[C@H]1C(=O)N(CC#N)[*:1]
C[C@H]1C[C@H]1C(=O)N(CC#N)C1CCCC1 C[C@H]1C[C@@H]1[*:1] N#CCN(C(=O)[*:1])C1CCCC1
C[C@H]1C[C@H]1C(=O)N(CC#N)C1CCCC1 N#CC[*:1] C[C@H]1C[C@H]1C(=O)N(C1CCCC1)[*:1]
Cc1occc1CNC(=O)N1CCN(CCOC(C)C)CC1 CC(C)OC[*:1] Cc1occc1CNC(=O)N1CCN(CC1)C[*:1]
Cc1occc1CNC(=O)N1CCN(CCOC(C)C)CC1 Cc1occc1C[*:1] CC(C)OCCN1CCN(CC1)C(=O)N[*:1]
Cc1occc1CNC(=O)N1CCN(CCOC(C)C)CC1 Cc1occc1[*:1] CC(C)OCCN1CCN(CC1)C(=O)NC[*:1]
Cc1occc1CNC(=O)N1CCN(CCOC(C)C)CC1 CC(C)O[*:1] Cc1occc1CNC(=O)N1CCN(CC1)CC[*:1]
Cc1occc1CNC(=O)N1CCN(CCOC(C)C)CC1 CC(C)OCC[*:1] Cc1occc1CNC(=O)N1CCN(CC1)[*:1]
Cc1occc1CNC(=O)N1CCN(CCOC(C)C)CC1 CC(C)[*:1] Cc1occc1CNC(=O)N1CCN(CCO[*:1])CC1
Cc1ccc(N(C)S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc(C)c(c1C)S(=O)(=O)N(C)[*:1]
Cc1ccc(N(C)S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N(C)S(=O)(=O)c1c(C)nn(c1C)[*:1]
N#Cc1ccc(/C=C/C[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)cc1 N#Cc1ccc(cc1)[*:1] O=C1C[C@@H](C[NH2+]CC=C[*:1])c2ccccc2N1
C[C@@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1cccnc1Cl FC(F)(F)[*:1] C[C@@H](NC[C@H](O)c1cccc(c1)[*:1])c1cccnc1Cl
C[C@@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1cccnc1Cl Clc1ncccc1[*:1] C[C@@H](NC[C@H](O)c1cccc(c1)C(F)(F)F)[*:1]
Cn1cc(C(=O)N2CCC(c3cncc(-c4cccc(Cl)c4)n3)CC2)ccc1=O Cn1cc(ccc1=O)[*:1] O=C(N1CCC(CC1)c1cncc(n1)-c1cccc(Cl)c1)[*:1]
Cn1cc(C(=O)N2CCC(c3cncc(-c4cccc(Cl)c4)n3)CC2)ccc1=O Clc1cccc(c1)[*:1] Cn1cc(ccc1=O)C(=O)N1CCC(CC1)c1cncc(n1)[*:1]
Cc1nn(CC(=O)N(C)Cc2c(C)nn(C)c2C)cc1Br Cc1nn(cc1Br)[*:1] Cc1nn(C)c(C)c1CN(C)C(=O)C[*:1]
Cc1csc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 NC(=O)[*:1] Cc1csc(n1)SCC(=O)Nc1sc2CCCc2c1[*:1]
Cc1csc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 Cc1csc(n1)S[*:1] NC(=O)c1c(NC(=O)C[*:1])sc2CCCc21
Cc1csc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 Cc1csc(n1)[*:1] NC(=O)c1c(NC(=O)CS[*:1])sc2CCCc21
CC[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)c1ccccc1 Fc1ccc(c(Br)c1)[*:1] CC[C@H](CNC(=O)C(=O)N[*:1])c1ccccc1
CC[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)[*:1]
Cc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1C O=[N+]([O-])[*:1] Cc1ccc(/C=C/C(=O)c2cccc(c2)[*:1])cc1C
Cc1cc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])N1CCC(CC1)c1ccc(F)cc1
Cc1cc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)no1 Fc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)N1CCC(CC1)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)CNC(=O)c1ccccc1C Cc1ccccc1O[*:1] Cc1ccccc1C(=O)NCC(=O)NC[C@@H](C)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)CNC(=O)c1ccccc1C Cc1ccccc1[*:1] Cc1ccccc1C(=O)NCC(=O)NC[C@@H](C)O[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)CNC(=O)c1ccccc1C Cc1ccccc1[*:1] Cc1ccccc1O[C@H](C)CNC(=O)CNC(=O)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)NC[*:1]
CCCCN(CC(N)=O)C(=O)[C@@H](C)n1nc(C)cc1C CCC[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)N(CC(N)=O)C[*:1]
CCCCN(CC(N)=O)C(=O)[C@@H](C)n1nc(C)cc1C NC(=O)[*:1] CCCCN(C[*:1])C(=O)[C@@H](C)n1nc(C)cc1C
CCCCN(CC(N)=O)C(=O)[C@@H](C)n1nc(C)cc1C CCCC[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)N(CC(N)=O)[*:1]
CCCCN(CC(N)=O)C(=O)[C@@H](C)n1nc(C)cc1C NC(=O)C[*:1] CCCCN(C(=O)[C@@H](C)n1nc(C)cc1C)[*:1]
CCCCn1c(-c2ccccc2)n[nH]c1=S CCCC[*:1] S=c1[nH]nc(-c2ccccc2)n1[*:1]
CCCCn1c(-c2ccccc2)n[nH]c1=S CCC[*:1] S=c1[nH]nc(-c2ccccc2)n1C[*:1]
O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])Nc1ccccc1C(=O)N1CCCCCC1
O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1[*:1]
O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 Clc1ccc(O[*:1])c(Cl)c1 O=C(C[*:1])Nc1ccccc1C(=O)N1CCCCCC1
COc1ccc(C)cc1CCNC(=O)c1ccccc1Br Brc1ccccc1[*:1] COc1ccc(C)cc1CCNC(=O)[*:1]
O=C(Cc1cccc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Cc1cccc(c1)C(F)(F)F)N1CCO[C@H](C1)[*:1]
O=C(Cc1cccc(C(F)(F)F)c1)N1CCO[C@H](c2ccc(F)cc2)C1 FC(F)(F)[*:1] O=C(Cc1cccc(c1)[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
C[C@H](NC(=O)N(Cc1ccccc1)C1CC1)c1nc(C2CCCC2)no1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N(C[*:1])C1CC1)c1nc(no1)C1CCCC1
C[C@H](NC(=O)N(Cc1ccccc1)C1CC1)c1nc(C2CCCC2)no1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N(C1CC1)[*:1])c1nc(no1)C1CCCC1
C[C@H](NC(=O)N(Cc1ccccc1)C1CC1)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] C[C@H](NC(=O)N(Cc1ccccc1)C1CC1)c1nc(no1)[*:1]
C[C@H](NC(=O)N(Cc1ccccc1)C1CC1)c1nc(C2CCCC2)no1 C1CC1[*:1] C[C@H](NC(=O)N(Cc1ccccc1)[*:1])c1nc(no1)C1CCCC1
COc1ccc(CNc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1F O=C(N[*:1])[C@@H]1CCCO1 COc1ccc(cc1F)CNc1ccc(cc1)[*:1]
O=C1[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2C(=O)N1CCO OCC[*:1] O=C1[C@H]2CN(CCN2C(=O)N1[*:1])S(=O)(=O)c1ccccc1
O=C1[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2C(=O)N1CCO c1ccc(cc1)[*:1] O=C1[C@H]2CN(CCN2C(=O)N1CCO)S(=O)(=O)[*:1]
C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSC1CCOCC1 NC(=O)[*:1] C[NH2+][C@@]1(CCC[C@H]1CCSC1CCOCC1)[*:1]
C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSC1CCOCC1 C1CC(CCO1)[*:1] C[NH2+][C@@]1(CCC[C@H]1CCS[*:1])C(N)=O
C=CCN1CC2(CCC1=O)CCN(c1nncs1)CC2 c1nnc(s1)[*:1] C=CCN1CC2(CCC1=O)CCN(CC2)[*:1]
C=CCN1CC2(CCC1=O)CCN(c1nncs1)CC2 C=CC[*:1] O=C1CCC2(CCN(CC2)c2nncs2)CN1[*:1]
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccnc2)C1 Cc1n[nH]c(C)c1[*:1] O=C(Nc1cccnc1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccnc2)C1 c1cncc(c1)[*:1] Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#C/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] N#CC(=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(Cl)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] N#C/C(=C/c1ccc(cc1)OS(=O)(=O)[*:1])C(=O)Nc1ccc(Cl)cc1
N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(Cl)cc1 O=[N+]([O-])[*:1] N#C/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)[*:1])C(=O)Nc1ccc(Cl)cc1
C/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccncc1 O=C1CCCN1[*:1] C/C(=N\NC(=O)c1ccc(cc1)[*:1])c1ccncc1
C/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccncc1 c1cc(ccn1)[*:1] CC(=NNC(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3cccs3)ccc12 c1csc(c1)[*:1] CCCc1cc(=O)oc2cc(ccc12)OCC(=O)N[C@@H](C)[*:1]
CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3cccs3)ccc12 CCC[*:1] C[C@H](NC(=O)COc1ccc2c(cc(=O)oc2c1)[*:1])c1cccs1
N[C@H](c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1F Clc1ccc(s1)[*:1] N[C@H](c1cccc(c1F)C(F)(F)F)[*:1]
N[C@H](c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] N[C@H](c1ccc(Cl)s1)c1cccc(c1F)[*:1]
CC[C@@](C)(NC(=O)c1c[nH+]cc([O-])c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)c1c[nH+]cc([O-])c1)[*:1]
Cc1cccc([C@H](C)CNC(=O)[C@H]2COc3ccccc32)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)[C@H]1COc2ccccc21)[*:1]
CNC(=O)NCC(=O)N1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C CNC(=O)NC[*:1] C[C@H]1[C@H](OC[C@@H](C)N1C(=O)[*:1])c1ccccc1
CNC(=O)NCC(=O)N1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C c1ccc(cc1)[*:1] CNC(=O)NCC(=O)N1[C@@H](C)[C@@H](OC[C@H]1C)[*:1]
CNC(=O)NCC(=O)N1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C CNC(=O)N[*:1] C[C@H]1[C@H](OC[C@@H](C)N1C(=O)C[*:1])c1ccccc1
Cc1cc(NC(=O)c2cc(C(C)(C)C)oc2C)no1 Cc1cc(no1)[*:1] Cc1oc(cc1C(=O)N[*:1])C(C)(C)C
Cc1cc(NC(=O)c2cc(C(C)(C)C)oc2C)no1 CC(C)(C)[*:1] Cc1cc(no1)NC(=O)c1cc(oc1C)[*:1]
CCCCSc1nnc2c(n1)O[C@@](C)(CC)Nc1ccccc1-2 CCC[*:1] CC[C@@]1(C)Nc2ccccc2-c2nnc(nc2O1)SC[*:1]
CCCCSc1nnc2c(n1)O[C@@](C)(CC)Nc1ccccc1-2 CCCC[*:1] CC[C@@]1(C)Nc2ccccc2-c2nnc(nc2O1)S[*:1]
CCCCSc1nnc2c(n1)O[C@@](C)(CC)Nc1ccccc1-2 CCCCS[*:1] CC[C@@]1(C)Nc2ccccc2-c2nnc(nc2O1)[*:1]
CCCN(CC(=O)OC)C(=O)c1ccc(I)cc1 COC(=O)C[*:1] CCCN(C(=O)c1ccc(I)cc1)[*:1]
CCCN(CC(=O)OC)C(=O)c1ccc(I)cc1 CCC[*:1] COC(=O)CN(C(=O)c1ccc(I)cc1)[*:1]
CCCN(CC(=O)OC)C(=O)c1ccc(I)cc1 COC(=O)[*:1] CCCN(C[*:1])C(=O)c1ccc(I)cc1
C[C@H]1CN(Cc2cccc(C(=O)Nc3ccccc3)c2)CCO1 c1ccc(cc1)[*:1] C[C@H]1CN(CCO1)Cc1cccc(c1)C(=O)N[*:1]
Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C(C)C CC(C)[*:1] Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2n1[*:1]
Cc1ccsc1[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C(C)C Cc1ccsc1[*:1] CC(C)n1c(nc2ccccc21)[C@@H](C)[NH2+][C@H](C)[*:1]
CC(C)Cc1ccc(C(=O)C2CCN(CC[NH+](C)C)CC2)cc1 CC(C)[*:1] C[NH+](C)CCN1CCC(CC1)C(=O)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc(C(=O)C2CCN(CC[NH+](C)C)CC2)cc1 CC(C)C[*:1] C[NH+](C)CCN1CCC(CC1)C(=O)c1ccc(cc1)[*:1]
C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(CC(N)=O)CC1 CC(C)(C)[*:1] C[C@@H](CC[*:1])NC(=O)N1CCC(CC1)CC(N)=O
C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(CC(N)=O)CC1 NC(=O)[*:1] C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(CC1)C[*:1]
C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(CC(N)=O)CC1 CC(C)(C)CC[*:1] C[C@@H](NC(=O)N1CCC(CC1)CC(N)=O)[*:1]
C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(CC(N)=O)CC1 CC(C)(C)C[*:1] C[C@@H](C[*:1])NC(=O)N1CCC(CC1)CC(N)=O
C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(CC(N)=O)CC1 NC(=O)C[*:1] C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(CC1)[*:1]
O=C(COc1ccccc1F)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 Fc1ccccc1[*:1] O=C(CO[*:1])N1CCc2nc(ncc2C1)[C@@H]1CC[NH2+]C1
O=C(COc1ccccc1F)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 Fc1ccccc1O[*:1] O=C(C[*:1])N1CCc2nc(ncc2C1)[C@@H]1CC[NH2+]C1
C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O C[C@@H](c1ccccc1)[*:1] N#CCc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O c1ccc(cc1)[*:1] C[C@@H](N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)CC#N)[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O N#CC[*:1] C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1sccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 CC(C)c1ccc(cc1)[*:1] COC(=O)c1sccc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)c1sccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 CC(C)[*:1] COC(=O)c1sccc1NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)c1sccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 COC(=O)c1sccc1[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COC(=O)c1sccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 COC(=O)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccsc1[*:1]
Cc1cccc([C@H](C)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1 Cc1cccc(c1)[*:1] C[C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)[*:1]
CC[C@H](C)[C@H](NC(=O)c1cc(Br)cn1C)C(N)=O CC[C@H](C)[*:1] Cn1cc(Br)cc1C(=O)N[C@H](C(N)=O)[*:1]
CC[C@H](C)[C@H](NC(=O)c1cc(Br)cn1C)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)c1cc(Br)cn1C)[*:1]
Cc1ccc2c(CC(=O)N(C[C@H]3CCCCO3)C(C)C)c[nH]c2c1 C1CC[C@H](C[*:1])OC1 Cc1ccc2c(c[nH]c2c1)CC(=O)N(C(C)C)[*:1]
Cc1ccc2c(CC(=O)N(C[C@H]3CCCCO3)C(C)C)c[nH]c2c1 C1CC[C@@H](OC1)[*:1] Cc1ccc2c(c[nH]c2c1)CC(=O)N(C[*:1])C(C)C
Cc1ccc2c(CC(=O)N(C[C@H]3CCCCO3)C(C)C)c[nH]c2c1 CC(C)[*:1] Cc1ccc2c(c[nH]c2c1)CC(=O)N(C[C@H]1CCCCO1)[*:1]
Cc1ccc(C(=O)NNC(=O)[C@]23CC[C@H](C2)C(C)(C)C3=O)cc1 Cc1ccc(cc1)[*:1] CC1(C)C(=O)[C@]2(CC[C@@H]1C2)C(=O)NNC(=O)[*:1]
CCOc1ccc(S(=O)(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])S(=O)(=O)N1c2ccccc2[C@H](C[C@@H]1C)C(N)=O
CCOc1ccc(S(=O)(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])S(=O)(=O)N1c2ccccc2[C@H](C[C@@H]1C)C(N)=O
CCOc1ccc(S(=O)(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)cc1OCC NC(=O)[*:1] CCOc1ccc(cc1OCC)S(=O)(=O)N1c2ccccc2[C@@H](C[C@@H]1C)[*:1]
CC(C)(C[NH+]1CCCN(C(=O)c2cccc(Cl)c2)CC1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] O=C(c1cccc(Cl)c1)N1CCC[NH+](CC1)C[*:1]
CC(C)(C[NH+]1CCCN(C(=O)c2cccc(Cl)c2)CC1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(C[NH+]1CCCN(CC1)C(=O)c1cccc(Cl)c1)[*:1]
CC(C)(C[NH+]1CCCN(C(=O)c2cccc(Cl)c2)CC1)S(C)(=O)=O Clc1cccc(c1)[*:1] CC(C)(C[NH+]1CCCN(CC1)C(=O)[*:1])S(C)(=O)=O
CCN(CC)c1ccc(C2=NC(=O)C3=C4CC[C@H](C)C[C@@H]4SC3=N2)cc1 CCN(CC)[*:1] C[C@H]1CCC2=C3C(=O)N=C(N=C3S[C@H]2C1)c1ccc(cc1)[*:1]
Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc2c(c1)NC(=O)CO2 c1cncc(c1)C[*:1] Cc1ccccc1CN(C(=O)c1ccc2OCC(=O)Nc2c1)[*:1]
Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc2c(c1)NC(=O)CO2 Cc1ccccc1C[*:1] O=C1COc2ccc(cc2N1)C(=O)N(Cc1cccnc1)[*:1]
Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc2c(c1)NC(=O)CO2 Cc1ccccc1[*:1] O=C1COc2ccc(cc2N1)C(=O)N(Cc1cccnc1)C[*:1]
Cc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc2c(c1)NC(=O)CO2 c1cncc(c1)[*:1] Cc1ccccc1CN(C[*:1])C(=O)c1ccc2OCC(=O)Nc2c1
O=C(c1ncccc1C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 FC(F)(F)[*:1] O=C(c1ncccc1[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(c1ncccc1C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ncccc1C(F)(F)F)N1CCN(CC1)[*:1]
CN(Cc1ccc2c(c1)OCCO2)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CN(Cc1ccc2OCCOc2c1)C(=O)CNC(=O)c1ccc(cc1)[*:1]
CSCC[C@@H](C)N(C)C(=O)N[C@H]1CCN(c2ccccc2)C1 CSCC[*:1] C[C@@H](N(C)C(=O)N[C@H]1CCN(C1)c1ccccc1)[*:1]
CSCC[C@@H](C)N(C)C(=O)N[C@H]1CCN(c2ccccc2)C1 CSC[*:1] C[C@H](C[*:1])N(C)C(=O)N[C@H]1CCN(C1)c1ccccc1
CSCC[C@@H](C)N(C)C(=O)N[C@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CSCC[C@@H](C)N(C)C(=O)N[C@H]1CCN(C1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)cc1 CC(C)[*:1] O=C(N[C@H](C(=O)Nc1ccc(cc1)N1CCCC1=O)[*:1])c1ccccc1F
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)cc1 Fc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1ccc(cc1)N1CCCC1=O
C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 c1cc(ccn1)[*:1] C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CC1)Cc1cccc(c1)[*:1]
C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 O=C(N1CCOCC1)[*:1] C[C@@H](N1CC[NH+](CC1)Cc1cccc(c1)-c1ccncc1)[*:1]
Cn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(Br)cc3)nnc12 Brc1ccc(cc1)[*:1] Cn1c(=O)c2ccccc2n2c(nnc12)SCC(=O)[*:1]
CCOC(=O)c1c(C)oc2ncnc(NC[C@H](O)c3ccc(Cl)c(F)c3)c12 Fc1cc(ccc1Cl)[*:1] CCOC(=O)c1c(C)oc2ncnc(NC[C@H](O)[*:1])c12
CCOC(=O)c1c(C)oc2ncnc(NC[C@H](O)c3ccc(Cl)c(F)c3)c12 CCOC(=O)[*:1] Cc1oc2ncnc(NC[C@H](O)c3ccc(Cl)c(F)c3)c2c1[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)C[*:1]
O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc2c(c1)OCCO2 c1ccc(nc1)[*:1] O=C(CCc1nc(no1)[*:1])Nc1ccc2OCCOc2c1
Cc1ccc(S(=O)(=O)CCC(=O)N2C[C@@H](C)OCC2(C)C)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)CCS(=O)(=O)[*:1])C(C)(C)CO1
Cc1cnn(CCC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cnn(c1)CCC(=O)N1CCC[NH+](CC1)C[*:1]
Cc1cnn(CCC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)c1 Cc1cnn(c1)CC[*:1] O=C(N1CCC[NH+](CC1)Cc1ccc(F)cc1)[*:1]
Cc1cnn(CCC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)c1 Cc1cnn(c1)[*:1] O=C(CC[*:1])N1CCC[NH+](CC1)Cc1ccc(F)cc1
Cc1cnn(CCC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)c1 Cc1cnn(c1)C[*:1] O=C(C[*:1])N1CCC[NH+](CC1)Cc1ccc(F)cc1
Cc1cnn(CCC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)C[*:1] Cc1cnn(c1)CCC(=O)N1CCC[NH+](CC1)[*:1]
Cn1ncc(/C(N)=N/O)c1NS(=O)(=O)C1CC1 N/C(=N\O)[*:1] Cn1ncc(c1NS(=O)(=O)C1CC1)[*:1]
Cn1ncc(/C(N)=N/O)c1NS(=O)(=O)C1CC1 C1CC1[*:1] Cn1ncc(/C(N)=N/O)c1NS(=O)(=O)[*:1]
COc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(OC)cc4)no3)c2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc(n1)-c1c(C)cc(C)n(CC(=O)N[*:1])c1=O
COc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(OC)cc4)no3)c2=O)cc1 COc1ccc(cc1)NC(=O)[*:1] COc1ccc(cc1)-c1noc(n1)-c1c(C)cc(C)n(C[*:1])c1=O
COc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(OC)cc4)no3)c2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Cn1c(C)cc(C)c(-c2nc(no2)[*:1])c1=O
C[NH2+][C@H](CC1CCCC1)[C@@H]1CSCCO1 C1CCC(C1)[*:1] C[NH2+][C@H](C[*:1])[C@@H]1CSCCO1
Cc1cc(CCC(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1Br C1CC1[*:1] Cc1cc(ccc1Br)CCC(=O)NC[C@H]([NH+](C)C)[*:1]
CCC[C@@H]1CN(C(=O)[C@@H]2Cc3cccc(F)c3O2)CCO1 CCC[*:1] O=C([C@@H]1Cc2cccc(F)c2O1)N1CCO[C@@H](C1)[*:1]
Cc1cccc(C)c1OCCNc1nc2sccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C)c1OCCNc1nc2sccn2c1[*:1]
Nc1nnc(SCC(=O)Nc2c(Br)cc(Br)cc2[N+](=O)[O-])s1 Nc1nnc(s1)[*:1] O=C(CS[*:1])Nc1c(Br)cc(Br)cc1[N+](=O)[O-]
Nc1nnc(SCC(=O)Nc2c(Br)cc(Br)cc2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] Nc1nnc(SCC(=O)Nc2c(Br)cc(Br)cc2[*:1])s1
Nc1nnc(SCC(=O)Nc2c(Br)cc(Br)cc2[N+](=O)[O-])s1 Nc1nnc(S[*:1])s1 O=C(C[*:1])Nc1c(Br)cc(Br)cc1[N+](=O)[O-]
CCN(c1ncnc(NC[C@H]2CCCO2)c1[N+](=O)[O-])c1cccc2ccccc12 O=[N+]([O-])[*:1] CCN(c1ncnc(NC[C@H]2CCCO2)c1[*:1])c1cccc2ccccc12
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(COC)c2)C1 COC[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C)c(CC(=O)N2C[C@H](c3ccccc3)OCC2(C)C)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)CC(=O)N1C[C@H](OCC1(C)C)[*:1]
Cc1ccc(C)c(CC(=O)N2C[C@H](c3ccccc3)OCC2(C)C)c1 Cc1ccc(C)c(c1)[*:1] CC1(C)CO[C@H](CN1C(=O)C[*:1])c1ccccc1
O=C(Oc1ccc2c(c1)OCO2)C1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] O=C(Oc1ccc2OCOc2c1)C1CCN(CC1)[*:1]
CC(=O)[C@@H](C)c1ccccc1Br CC(=O)[*:1] C[C@@H](c1ccccc1Br)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCO[C@H](c2ccc(Cl)cc2)C1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)[C@H](C)N1CCO[C@@H](C1)c1ccc(Cl)cc1)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCO[C@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)[C@H](C)N1CCO[C@H](C1)[*:1])[N+](=O)[O-]
CON(C)c1nc(N(C)OC)nc(N(C)OC)n1 CON(C)[*:1] CON(C)c1nc(nc(n1)[*:1])N(C)OC
CCOc1ccc(NC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1nc2-c3ccccc3CCc2s1
Cn1cccc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1cccc1C(=O)N1CCC(CC1)[C@@H](O)[*:1]
Cn1cccc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 Cn1cccc1[*:1] O=C(N1CCC(CC1)[C@@H](O)c1ccccc1)[*:1]
N#Cc1ccnc(N2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)c1 C1CO[C@H](C1)C[*:1] N#Cc1ccnc(c1)N1CC[NH+](CC1)CC(=O)N[*:1]
N#Cc1ccnc(N2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)c1 N#Cc1ccnc(c1)[*:1] O=C(C[NH+]1CCN(CC1)[*:1])NC[C@H]1CCCO1
N#Cc1ccnc(N2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)c1 C1CO[C@H](C1)[*:1] N#Cc1ccnc(c1)N1CC[NH+](CC1)CC(=O)NC[*:1]
CC[C@H](C)Oc1cccc(NC(=O)C2CCCC2)c1 C1CCC(C1)[*:1] CC[C@H](C)Oc1cccc(c1)NC(=O)[*:1]
CC[C@H](C)Oc1cccc(NC(=O)C2CCCC2)c1 CC[C@H](C)[*:1] O=C(Nc1cccc(c1)O[*:1])C1CCCC1
CC[C@H](C)Oc1cccc(NC(=O)C2CCCC2)c1 CC[C@H](C)O[*:1] O=C(Nc1cccc(c1)[*:1])C1CCCC1
O=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN1C(=O)c1cccs1 C1CC1[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CCCN1C(=O)c1cccs1
O=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN1C(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1nc(cs1)C1CC1)[C@@H]1CCCN1C(=O)[*:1]
COCc1cccc(NC(=O)NCC(C)(C)c2ccncc2)c1 COC[*:1] CC(C)(CNC(=O)Nc1cccc(c1)[*:1])c1ccncc1
COCc1cccc(NC(=O)NCC(C)(C)c2ccncc2)c1 c1cc(ccn1)[*:1] COCc1cccc(c1)NC(=O)NCC(C)(C)[*:1]
Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](NCc2c(F)ccc(C)c2F)C4)cs1 Cc1nc(cs1)[*:1] Cc1ccc(F)c(CN[C@@H]2CCc3c(C2)sc2ncn(c(=O)c32)[C@H](C)[*:1])c1F
Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](NCc2c(F)ccc(C)c2F)C4)cs1 Cc1ccc(F)c(C[*:1])c1F Cc1nc(cs1)[C@@H](C)n1cnc2sc3C[C@@H](CCc3c2c1=O)N[*:1]
Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](NCc2c(F)ccc(C)c2F)C4)cs1 Cc1ccc(F)c(c1F)[*:1] Cc1nc(cs1)[C@@H](C)n1cnc2sc3C[C@@H](CCc3c2c1=O)NC[*:1]
Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](NCc2c(F)ccc(C)c2F)C4)cs1 Cc1ccc(F)c(CN[*:1])c1F Cc1nc(cs1)[C@@H](C)n1cnc2sc3C[C@H](CCc3c2c1=O)[*:1]
CCc1nc(CCNC(=O)c2ccccc2[N+](=O)[O-])cs1 CCc1nc(cs1)[*:1] O=C(NCC[*:1])c1ccccc1[N+](=O)[O-]
CCc1nc(CCNC(=O)c2ccccc2[N+](=O)[O-])cs1 O=[N+]([O-])[*:1] CCc1nc(cs1)CCNC(=O)c1ccccc1[*:1]
CCCNc1c(/N=C(\O)C2CCC(C)CC2)c(=O)oc2ccccc12 CCC[*:1] CC1CCC(CC1)/C(O)=N/c1c(N[*:1])c2ccccc2oc1=O
CCCNc1c(/N=C(\O)C2CCC(C)CC2)c(=O)oc2ccccc12 CCCN[*:1] CC1CCC(CC1)/C(O)=N/c1c(c2ccccc2oc1=O)[*:1]
CCCNc1c(/N=C(\O)C2CCC(C)CC2)c(=O)oc2ccccc12 CC1CCC(CC1)[*:1] CCCNc1c(/N=C(\O)[*:1])c(=O)oc2ccccc12
CCc1nn(C)cc1NC(=O)NC[C@@H](C)Oc1cccc(OC)c1 CCc1nn(C)cc1[*:1] COc1cccc(c1)O[C@H](C)CNC(=O)N[*:1]
CCc1nn(C)cc1NC(=O)NC[C@@H](C)Oc1cccc(OC)c1 COc1cccc(c1)[*:1] CCc1nn(C)cc1NC(=O)NC[C@@H](C)O[*:1]
Cc1noc(C)c1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 c1ccc(cc1)[*:1] Cc1noc(C)c1NC(=O)[C@@H](N1CCc2ccccc21)[*:1]
Cc1noc(C)c1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 Cc1noc(C)c1[*:1] O=C(N[*:1])[C@@H](c1ccccc1)N1CCc2ccccc21
C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc(Cl)c(c1)[*:1]
COc1ccc(C(=O)NCCNC(=O)c2ccc3cc[nH]c3c2)cc1 COc1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])c1ccc2cc[nH]c2c1
c1cncc(-c2nc3c(c(NC[C@H]4COc5ccccc5O4)n2)CC[NH2+]C3)c1 c1cncc(c1)[*:1] c1ccc2O[C@@H](CNc3nc(nc4C[NH2+]CCc43)[*:1])COc2c1
COC[C@H](C)[NH+]1CCN(CC(=O)N(C2CCCC2)C2CC2)CC1 C1CC1[*:1] COC[C@H](C)[NH+]1CCN(CC1)CC(=O)N(C1CCCC1)[*:1]
COC[C@H](C)[NH+]1CCN(CC(=O)N(C2CCCC2)C2CC2)CC1 COC[*:1] C[C@H]([NH+]1CCN(CC1)CC(=O)N(C1CCCC1)C1CC1)[*:1]
COC[C@H](C)[NH+]1CCN(CC(=O)N(C2CCCC2)C2CC2)CC1 C1CCC(C1)[*:1] COC[C@H](C)[NH+]1CCN(CC1)CC(=O)N(C1CC1)[*:1]
CC[C@H](C)N(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 CC[C@H](C)[*:1] CN(C(=O)Nc1ccc(cc1)OC(F)(F)F)[*:1]
CC[C@H](C)N(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CC[C@H](C)N(C)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)N(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@H](C)N(C)C(=O)Nc1ccc(cc1)O[*:1]
COc1cccc(N2CCN(C(=O)CCc3c(C)nc4c(c(C)nn4-c4ccccc4)c3C)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)CCc1c(C)nc2c(c(C)nn2[*:1])c1C
COc1cccc(N2CCN(C(=O)CCc3c(C)nc4c(c(C)nn4-c4ccccc4)c3C)CC2)c1 COc1cccc(c1)[*:1] Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N1CCN(CC1)[*:1]
O=C(c1cc(F)ccc1O)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1cc(F)ccc1O)N1CCC(O)(CC1)[*:1]
OCC1CC[NH+](c2ccc(NCc3ccn(-c4ccccc4)n3)[nH+]c2)CC1 c1ccc(cc1)[*:1] OCC1CC[NH+](CC1)c1ccc(NCc2ccn(n2)[*:1])[nH+]c1
Cc1ccccc1[C@H]1CN(CCC(=O)Nc2cc(N)ccc2F)[C@H](C)CO1 Nc1ccc(F)c(c1)[*:1] Cc1ccccc1[C@H]1CN(CCC(=O)N[*:1])[C@H](C)CO1
Cc1ccccc1[C@H]1CN(CCC(=O)Nc2cc(N)ccc2F)[C@H](C)CO1 Cc1ccccc1[*:1] C[C@@H]1CO[C@H](CN1CCC(=O)Nc1cc(N)ccc1F)[*:1]
O=C(CCc1cccc(F)c1)Nc1cc(C2CCOCC2)[nH]n1 C1CC(CCO1)[*:1] O=C(CCc1cccc(F)c1)Nc1cc([nH]n1)[*:1]
O=C(CCc1cccc(F)c1)Nc1cc(C2CCOCC2)[nH]n1 Fc1cccc(c1)[*:1] O=C(CC[*:1])Nc1cc([nH]n1)C1CCOCC1
COc1ccc(OC)c(CN2CCN(C(=O)[C@H](C)n3cccn3)CC2)c1 c1cnn(c1)[*:1] COc1ccc(OC)c(c1)CN1CCN(CC1)C(=O)[C@H](C)[*:1]
O=C(Nc1nnc(Cc2ccc3c(c2)OCCO3)o1)[C@H]1CCCN1S(=O)(=O)c1cccs1 c1cc2OCCOc2cc1[*:1] O=C(Nc1nnc(C[*:1])o1)[C@H]1CCCN1S(=O)(=O)c1cccs1
O=C(Nc1nnc(Cc2ccc3c(c2)OCCO3)o1)[C@H]1CCCN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1nnc(Cc2ccc3OCCOc3c2)o1)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1noc(C2CC[NH+](C3CCC(C)(c4ccccc4)CC3)CC2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)C1CC[NH+](CC1)C1CCC(C)(CC1)[*:1]
Cc1noc(C2CC[NH+](C3CCC(C)(c4ccccc4)CC3)CC2)n1 Cc1noc(n1)[*:1] CC1(CCC(CC1)[NH+]1CCC(CC1)[*:1])c1ccccc1
C[C@H](NC(=O)CCn1ccccc1=O)C(c1ccccc1)c1ccccc1 O=c1ccccn1C[*:1] C[C@H](NC(=O)C[*:1])C(c1ccccc1)c1ccccc1
C[C@H](NC(=O)CCn1ccccc1=O)C(c1ccccc1)c1ccccc1 O=c1ccccn1CC[*:1] C[C@H](NC(=O)[*:1])C(c1ccccc1)c1ccccc1
C[C@H](NC(=O)CCn1ccccc1=O)C(c1ccccc1)c1ccccc1 O=c1ccccn1[*:1] C[C@H](NC(=O)CC[*:1])C(c1ccccc1)c1ccccc1
C[C@H](NC(=O)CCn1ccccc1=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CCn1ccccc1=O)C(c1ccccc1)[*:1]
CC(C)Cn1ncc2cc(C(=O)N(C)C3CC[NH+](C)CC3)cnc21 CC(C)C[*:1] CN(C(=O)c1cnc2c(cnn2[*:1])c1)C1CC[NH+](C)CC1
CC(C)Cn1ncc2cc(C(=O)N(C)C3CC[NH+](C)CC3)cnc21 CC(C)[*:1] CN(C(=O)c1cnc2c(cnn2C[*:1])c1)C1CC[NH+](C)CC1
CN(C)C(=O)c1ccccc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1 CN(C)C(=O)[*:1] O=C(CNc1ccccc1[*:1])Nc1ccc(cc1)OC(F)(F)F
CN(C)C(=O)c1ccccc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CN(C)C(=O)c1ccccc1NCC(=O)Nc1ccc(cc1)[*:1]
CN(C)C(=O)c1ccccc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CN(C)C(=O)c1ccccc1NCC(=O)Nc1ccc(cc1)O[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)nc1C COc1ccccc1[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@H]1[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)nc1C COC(=O)[*:1] COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc(C)c(s1)[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)nc1C O=C(c1ccccc1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C([C@@H]1c1ccccc1OC)[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)nc1C COC(=O)c1sc(nc1C)[*:1] COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)nc1C c1ccc(cc1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccc1OC
CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(OC)c1 COc1cc(ccc1O)[*:1] CCOC(=O)C1=C(Nc2nc3ccccc3n2[C@H]1[*:1])c1ccc(cc1)OC
CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(OC)c1 CCOC(=O)[*:1] COc1ccc(cc1)C1Nc2nc3ccccc3n2[C@@H](C=1[*:1])c1ccc(O)c(c1)OC
CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(OC)c1 COc1ccc(cc1)[*:1] CCOC(=O)C1=C(Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(c1)OC)[*:1]
Cc1cc(N2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)nc(C(C)C)[nH+]1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CC[NH+](CC1)CC(=O)N(C)[*:1]
Cc1cc(N2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)nc(C(C)C)[nH+]1 O=[N+]([O-])[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CC[NH+](CC1)CC(=O)N(C)c1ccc(cc1)[*:1]
Cc1cc(N2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CC[NH+](CC1)CC(=O)N(C)c1ccc(cc1)[N+](=O)[O-]
CC[C@@H](C)CN(C)C(=O)Nc1cccc(C#N)c1 CC[C@@H](C)C[*:1] CN(C(=O)Nc1cccc(C#N)c1)[*:1]
CC[C@@H](C)CN(C)C(=O)Nc1cccc(C#N)c1 CC[C@@H](C)[*:1] CN(C[*:1])C(=O)Nc1cccc(C#N)c1
C#Cc1cc(F)c(NC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c(F)c1 Fc1ccc(F)c(c1)[*:1] C#Cc1cc(F)c(NC(=O)N(C)[C@@H](C)[*:1])c(F)c1
FC(F)(F)c1ccccc1CNCc1cccc(CN2CCOCC2)c1 C1CN(CCO1)[*:1] FC(F)(F)c1ccccc1CNCc1cccc(c1)C[*:1]
FC(F)(F)c1ccccc1CNCc1cccc(CN2CCOCC2)c1 C1CN(CCO1)C[*:1] FC(F)(F)c1ccccc1CNCc1cccc(c1)[*:1]
FC(F)(F)c1ccccc1CNCc1cccc(CN2CCOCC2)c1 FC(F)(F)[*:1] c1cc(cc(c1)CN1CCOCC1)CNCc1ccccc1[*:1]
Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc3nsnc23)o1 Cc1ccccc1[*:1] O=C(CSc1nnc(o1)[*:1])Nc1cccc2nsnc12
CCC1(CC)[C@@H](NC(=O)c2cc(S(N)(=O)=O)c(C)o2)[C@H](C)[C@@H]1OC NS(=O)(=O)[*:1] CCC1(CC)[C@@H](NC(=O)c2cc(c(C)o2)[*:1])[C@H](C)[C@@H]1OC
CN(CC(=O)N(C)[C@@H]1CCc2ccccc2C1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)N(C)[C@@H]1CCc2ccccc2C1)C(=O)[*:1]
CN(C)[C@H](CNCc1nc2c(s1)CCC2)c1c(F)cccc1F CN(C)[*:1] Fc1cccc(F)c1[C@@H](CNCc1nc2CCCc2s1)[*:1]
O=C(NCc1ccco1)c1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] O=C(NCc1ccco1)c1ccc(nc1)[*:1]
O=C(NCc1ccco1)c1ccc(-n2ccnc2)nc1 c1coc(c1)C[*:1] O=C(N[*:1])c1ccc(nc1)-n1ccnc1
O=C(NCc1ccco1)c1ccc(-n2ccnc2)nc1 c1coc(c1)[*:1] O=C(NC[*:1])c1ccc(nc1)-n1ccnc1
O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1OC[C@H]1CCCO1 C1CO[C@H](C1)CO[*:1] O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1[*:1]
Cc1cc(NC(=O)N2CCC([NH+](C)C)CC2)no1 Cc1cc(no1)[*:1] C[NH+](C)C1CCN(CC1)C(=O)N[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C(C(=O)OCC)=C(C)N2 CCOC(=O)[*:1] C=CCSc1nc2NC(C)=C([C@@H](c3cccc(F)c3)c2c(=O)[nH]1)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C(C(=O)OCC)=C(C)N2 C=CCS[*:1] CCOC(=O)C1=C(C)Nc2nc([nH]c(=O)c2[C@@H]1c1cccc(F)c1)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C(C(=O)OCC)=C(C)N2 C=CC[*:1] CCOC(=O)C1=C(C)Nc2nc([nH]c(=O)c2[C@@H]1c1cccc(F)c1)S[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C(C(=O)OCC)=C(C)N2 Fc1cccc(c1)[*:1] C=CCSc1nc2NC(C)=C(C(=O)OCC)[C@@H](c2c(=O)[nH]1)[*:1]
CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccccc1[N+](=O)[O-] CCC[*:1] O=C(c1ccccc1[N+](=O)[O-])N(C[C@H]1COc2ccccc2O1)[*:1]
CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccccc1[*:1]
CC(C)=CC(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)=CC(=O)Nc1ccc(cc1)[*:1]
CC(C)=CC(=O)Nc1ccc(C(=O)[O-])cc1 CC(C)=C[*:1] O=C([O-])c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(-n2cncn2)nc1 c1cc(n[nH]1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(nc1)-n1cncn1
O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(-n2cncn2)nc1 c1ncn(n1)[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)c1ccc(nc1)[*:1]
CCOc1ccccc1N1C[C@H](C(=O)NCc2ccccc2OC)CC1=O COc1ccccc1[*:1] CCOc1ccccc1N1C[C@@H](CC1=O)C(=O)NC[*:1]
CCOc1ccccc1N1C[C@H](C(=O)NCc2ccccc2OC)CC1=O CCO[*:1] COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1[*:1]
CCOc1ccccc1N1C[C@H](C(=O)NCc2ccccc2OC)CC1=O CCOc1ccccc1[*:1] COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOc1ccccc1N1C[C@H](C(=O)NCc2ccccc2OC)CC1=O COc1ccccc1C[*:1] CCOc1ccccc1N1C[C@@H](CC1=O)C(=O)N[*:1]
CC[NH+]1CCN(c2ncnc3sc(C(=O)N4CCOCC4)c(C)c23)CC1 O=C(N1CCOCC1)[*:1] CC[NH+]1CCN(CC1)c1ncnc2sc(c(C)c12)[*:1]
C[C@H]1C[C@@H]1COC(=O)c1cnc([C@@H]2CCCO2)s1 C[C@H]1C[C@H]1[*:1] O=C(OC[*:1])c1cnc(s1)[C@@H]1CCCO1
C[C@H]1C[C@@H]1COC(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] C[C@H]1C[C@@H]1COC(=O)c1cnc(s1)[*:1]
C[C@H]1C[C@@H]1COC(=O)c1cnc([C@@H]2CCCO2)s1 C[C@H]1C[C@@H]1C[*:1] O=C(O[*:1])c1cnc(s1)[C@@H]1CCCO1
COCc1cn(C2CCN(c3[nH+]ccc4ccccc34)CC2)nn1 COC[*:1] c1ccc2c([nH+]ccc2c1)N1CCC(CC1)n1cc(nn1)[*:1]
COCc1cn(C2CCN(c3[nH+]ccc4ccccc34)CC2)nn1 COCc1cn(nn1)[*:1] c1ccc2c([nH+]ccc2c1)N1CCC(CC1)[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)nc1C COC(=O)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2nc(C)c(s2)[*:1])[C@@H]1c1ccc(F)cc1
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)nc1C COc1ccc(cc1)C(=O)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C([C@H]1c1ccc(F)cc1)[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)nc1C Fc1ccc(cc1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2)OC)[C@@H]1[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)nc1C COc1ccc(cc1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(F)cc1
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)nc1C COC(=O)c1sc(nc1C)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(F)cc1)[*:1]
CCOC(=O)N1N=C(C(=O)OC)/C(=C(/Br)C(=O)OC)S1 COC(=O)[*:1] CCOC(=O)N1N=C(C(=O)OC)/C(S1)=C(/Br)[*:1]
CCOCCN(C)C(=O)N[C@@H](CC)c1cc(F)ccc1F CCOC[*:1] CC[C@H](NC(=O)N(C)C[*:1])c1cc(F)ccc1F
CCOCCN(C)C(=O)N[C@@H](CC)c1cc(F)ccc1F CCO[*:1] CC[C@H](NC(=O)N(C)CC[*:1])c1cc(F)ccc1F
CCOCCN(C)C(=O)N[C@@H](CC)c1cc(F)ccc1F CCOCC[*:1] CC[C@H](NC(=O)N(C)[*:1])c1cc(F)ccc1F
COc1cccc(-c2nnc3sc(-c4cc(OC)c(OC)c(OC)c4)nn23)c1 COc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)-c1nn2c(nnc2s1)[*:1]
COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@]12C(=O)Nc1ccccc12 COC[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(=O)OC[*:1])[C@]21C(=O)Nc2ccccc21
COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@]12C(=O)Nc1ccccc12 COCC[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(=O)O[*:1])[C@]21C(=O)Nc2ccccc21
COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@]12C(=O)Nc1ccccc12 COCCOC(=O)[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C([C@]21C(=O)Nc2ccccc21)[*:1]
Cc1ccccc1[C@H](NC(=O)NC[C@@H](C)C[C@@H](C)O)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@H](NC(=O)NC[C@@H](C)C[C@@H](C)O)[*:1]
Cc1ccccc1[C@H](NC(=O)NC[C@@H](C)C[C@@H](C)O)C(C)(C)C C[C@@H](O)C[*:1] Cc1ccccc1[C@H](NC(=O)NC[C@@H](C)[*:1])C(C)(C)C
Cc1ccccc1[C@H](NC(=O)NC[C@@H](C)C[C@@H](C)O)C(C)(C)C C[C@@H](O)[*:1] Cc1ccccc1[C@H](NC(=O)NC[C@@H](C)C[*:1])C(C)(C)C
Cc1ccccc1[C@H](NC(=O)NC[C@@H](C)C[C@@H](C)O)C(C)(C)C Cc1ccccc1[*:1] C[C@H](CNC(=O)N[C@H](C(C)(C)C)[*:1])C[C@@H](C)O
Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc4c(c3)OCO4)nc12 O=[N+]([O-])c1cccc(c1)[*:1] Cn1c(cn2cc(nc12)-c1ccc2OCOc2c1)[*:1]
Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc4c(c3)OCO4)nc12 O=[N+]([O-])[*:1] Cn1c(cn2cc(nc12)-c1ccc2OCOc2c1)-c1cccc(c1)[*:1]
Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc4c(c3)OCO4)nc12 c1cc2OCOc2cc1[*:1] Cn1c(cn2cc(nc12)[*:1])-c1cccc(c1)[N+](=O)[O-]
CNS(=O)(=O)c1cccc([C@@H](C)NC[C@](C)(O)c2ccc(F)cc2)c1 CNS(=O)(=O)[*:1] C[C@@H](NC[C@](C)(O)c1ccc(F)cc1)c1cccc(c1)[*:1]
CNS(=O)(=O)c1cccc([C@@H](C)NC[C@](C)(O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CNS(=O)(=O)c1cccc(c1)[C@@H](C)NC[C@](C)(O)[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)NC[C@@H](C)Oc1ccccc1C Cc1ccccc1O[*:1] C=C1c2ccccc2C(=O)N1CC(=O)NC[C@@H](C)[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)NC[C@@H](C)Oc1ccccc1C Cc1ccccc1[*:1] C=C1c2ccccc2C(=O)N1CC(=O)NC[C@@H](C)O[*:1]
C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CC[C@H](C(N)=O)O1 Fc1ccc(cc1)[*:1] C[C@H](CC(=O)N[*:1])[NH2+]C[C@@H]1CC[C@@H](O1)C(N)=O
C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CC[C@H](C(N)=O)O1 NC(=O)[*:1] C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CC[C@H](O1)[*:1]
COc1ccc(-c2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)no2)cc1 O=[N+]([O-])c1ccc(o1)[*:1] COc1ccc(cc1)-c1cc(CNC(=O)[*:1])no1
COc1ccc(-c2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)no2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1cc(on1)[*:1])c1ccc(o1)[N+](=O)[O-]
COc1ccc(-c2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)no2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1cc(CNC(=O)c2ccc(o2)[*:1])no1
CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 c1coc(c1)CN[*:1] CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 c1coc(c1)[*:1] CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NC[*:1])[N+](=O)[O-]
CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 c1coc(c1)C[*:1] CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N[*:1])[N+](=O)[O-]
CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 O=[N+]([O-])[*:1] CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccco1)[*:1]
CCOC(=O)[C@@H](F)c1cc(C)cc(C)c1 CCOC(=O)[*:1] Cc1cc(C)cc(c1)[C@H](F)[*:1]
COCCN1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O COCC[*:1] O=C1CN(C(=O)N1c1ccc(cc1)[N+](=O)[O-])[*:1]
COCCN1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O COC[*:1] O=C1CN(C[*:1])C(=O)N1c1ccc(cc1)[N+](=O)[O-]
COCCN1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] COCCN1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
Cc1ccc(-n2c(N3CCOCC3)nn(C[NH+]3CCCC3)c2=S)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)-n1c(nn(C[NH+]2CCCC2)c1=S)[*:1]
Cc1ccc(-n2c(N3CCOCC3)nn(C[NH+]3CCCC3)c2=S)cc1 Cc1ccc(cc1)[*:1] S=c1n(C[NH+]2CCCC2)nc(N2CCOCC2)n1[*:1]
C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccn1)N1CCOC[C@H]1C c1ccc(nc1)[*:1] C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)[*:1])N1CCOC[C@H]1C
Cc1nccn1-c1ccc([C@H](C)NC(=O)NCC2([O-])CCC2)cc1 Cc1nccn1[*:1] C[C@H](NC(=O)NCC1([O-])CCC1)c1ccc(cc1)[*:1]
Cc1c(C(=O)NCCc2nnc3ccccn23)cnn1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)NCCc1nnc2ccccn12
Cc1c(C(=O)NCCc2nnc3ccccn23)cnn1-c1ccc(Br)cc1 c1ccn2c(nnc2c1)[*:1] Cc1c(cnn1-c1ccc(Br)cc1)C(=O)NCC[*:1]
Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1[*:1]
Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1C1CC1 Nc1nccnc1[*:1] Cc1cc(C(=O)COC(=O)[*:1])c(C)n1C1CC1
Cc1nnc2n1CCC[C@@H]2NC(=O)c1ccc(C2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)c1ccc(cc1)[*:1]
COC(=O)[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C CN(C)C(=O)[*:1] COC(=O)[C@@H](C)[C@H](C)[NH2+][C@@H](C)[*:1]
COC(=O)[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C COC(=O)[*:1] C[C@H]([NH2+][C@@H](C)[C@H](C)[*:1])C(=O)N(C)C
N#Cc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O N#Cc1ccccc1[*:1] O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N[*:1]
O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H]1c1cccnc1 c1cncc(c1)[*:1] O=S(=O)(c1ccc(Cl)c(c1)C(F)(F)F)N1CCC[C@H]1[*:1]
O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H]1c1cccnc1 FC(F)(F)[*:1] O=S(=O)(c1ccc(Cl)c(c1)[*:1])N1CCC[C@@H]1c1cccnc1
CC[C@H](C)NC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1cccc(c1)CNC(=O)C(=O)N[*:1]
CC[C@H](C)NC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2)c1 CC[C@H](C)NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])C(=O)Nc1ccc(F)cc1
CCO[C@@H](C)c1noc(CNc2ccc(Cl)cc2)n1 CCO[*:1] C[C@@H](c1noc(CNc2ccc(Cl)cc2)n1)[*:1]
CCO[C@@H](C)c1noc(CNc2ccc(Cl)cc2)n1 CCO[C@@H](C)[*:1] Clc1ccc(cc1)NCc1nc(no1)[*:1]
COc1ccc2c(c1)=C(C)[C@@H](C[NH2+][C@H](C)C1=CNN(c3ccc(F)cc3F)[C@@H]1C)[NH+]=2 Fc1ccc(c(F)c1)[*:1] COc1ccc2=[NH+][C@H](C[NH2+][C@H](C)C3=CNN([C@@H]3C)[*:1])C(C)=c2c1
Nc1c(NNc2ccccc2)nc[nH+]c1-n1nnc2ccccc21 c1ccc(cc1)NN[*:1] Nc1c(nc[nH+]c1-n1nnc2ccccc21)[*:1]
Nc1c(NNc2ccccc2)nc[nH+]c1-n1nnc2ccccc21 c1ccc(cc1)[*:1] Nc1c(nc[nH+]c1-n1nnc2ccccc21)NN[*:1]
Cc1ccc(-c2nc(CCNC(=O)N3CCC[C@@H]4CCC[C@@H]43)co2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1coc(n1)[*:1])N1CCC[C@@H]2CCC[C@@H]21
Cc1cncc(NC(=O)C(=O)N[C@H]2CCC[C@@]2(C)CO)c1 Cc1cncc(c1)[*:1] C[C@@]1(CO)CCC[C@@H]1NC(=O)C(=O)N[*:1]
C[C@@H]1CCC[C@@H](CCNC(=O)[C@](C)(N)C(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H]1CCC[C@@H](CCNC(=O)[C@](C)(N)[*:1])C1
COCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 c1ccc(cc1)[*:1] COCCNC(=O)c1ccc2c(=O)n3CCN(CCc3nc2c1)C[*:1]
COCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 COC[*:1] O=C(NC[*:1])c1ccc2c(=O)n3CCN(CCc3nc2c1)Cc1ccccc1
COCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 c1ccc(cc1)C[*:1] COCCNC(=O)c1ccc2c(=O)n3CCN(CCc3nc2c1)[*:1]
COCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 COCCNC(=O)[*:1] O=c1c2ccc(cc2nc2CCN(CCn21)Cc1ccccc1)[*:1]
COCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 COCC[*:1] O=C(N[*:1])c1ccc2c(=O)n3CCN(CCc3nc2c1)Cc1ccccc1
COc1cccc(-c2noc(C(=O)NCc3cccnc3)n2)c1 c1cncc(c1)[*:1] COc1cccc(c1)-c1noc(n1)C(=O)NC[*:1]
COc1cccc(-c2noc(C(=O)NCc3cccnc3)n2)c1 c1cncc(c1)C[*:1] COc1cccc(c1)-c1noc(n1)C(=O)N[*:1]
CCOC(=O)C(C)=C=Cc1cccc(OC)c1 CCOC(=O)[*:1] COc1cccc(C=C=C(C)[*:1])c1
COCCN1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)Nc1cc(ccc1F)C(F)(F)F
COCCN1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1=O FC(F)(F)[*:1] COCCN1CCN(CC1=O)C(=O)Nc1cc(ccc1F)[*:1]
COCCN1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1=O COCC[*:1] O=C(Nc1cc(ccc1F)C(F)(F)F)N1CCN(C(=O)C1)[*:1]
O=C(NNc1ccc(F)c(F)c1F)Nc1cnn(CC(F)F)c1 FC(F)C[*:1] O=C(NNc1ccc(F)c(F)c1F)Nc1cnn(c1)[*:1]
O=C(NNc1ccc(F)c(F)c1F)Nc1cnn(CC(F)F)c1 FC(F)[*:1] O=C(NNc1ccc(F)c(F)c1F)Nc1cnn(c1)C[*:1]
N#CCCCOc1cccnc1NC(=O)Cc1c[nH]c2ccccc12 N#CC[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1ncccc1OCC[*:1]
N#CCCCOc1cccnc1NC(=O)Cc1c[nH]c2ccccc12 N#CCC[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1ncccc1OC[*:1]
N#CCCCOc1cccnc1NC(=O)Cc1c[nH]c2ccccc12 N#CCCC[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1ncccc1O[*:1]
N#CCCCOc1cccnc1NC(=O)Cc1c[nH]c2ccccc12 N#CCCCO[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1ncccc1[*:1]
COc1ccc(CNC(=O)NCC#Cc2ccccc2)cc1C c1ccc(cc1)[*:1] COc1ccc(cc1C)CNC(=O)NCC#C[*:1]
C[C@@H](Cl)c1ccc(Oc2ncccn2)cc1 C[C@@H](Cl)[*:1] c1cnc(nc1)Oc1ccc(cc1)[*:1]
COc1cccc(OC)c1OC1CC[NH+](C/C=C/c2ccco2)CC1 C(=C/c1ccco1)\C[*:1] COc1cccc(OC)c1OC1CC[NH+](CC1)[*:1]
COc1cccc(OC)c1OC1CC[NH+](C/C=C/c2ccco2)CC1 c1coc(c1)[*:1] COc1cccc(OC)c1OC1CC[NH+](CC=C[*:1])CC1
COc1cccc(OC)c1OC1CC[NH+](C/C=C/c2ccco2)CC1 C(=C[*:1])c1ccco1 COc1cccc(OC)c1OC1CC[NH+](CC1)C[*:1]
CC[C@@H](C)CN(C)c1[nH+]cccc1C(=O)[O-] CC[C@@H](C)[*:1] CN(C[*:1])c1[nH+]cccc1C(=O)[O-]
CC[C@@H](C)CN(C)c1[nH+]cccc1C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)CN(C)c1[nH+]cccc1[*:1]
CC[C@@H](C)CN(C)c1[nH+]cccc1C(=O)[O-] CC[C@@H](C)C[*:1] CN(c1[nH+]cccc1C(=O)[O-])[*:1]
Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)NCCC1=CCCCC1 O=S1(=O)CCCCN1[*:1] Cc1cc(cc(C)c1S(=O)(=O)NCCC1=CCCCC1)[*:1]
OCC#CC1=CC[C@H]2C(C#CCO)=CC[C@H]12 OCC#C[*:1] OCC#CC1=CC[C@@H]2C(=CC[C@@H]12)[*:1]
O=C(COC(=O)c1nn(-c2ccccc2)c2c1CCC2)NC[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(COC(=O)c1nn(c2CCCc12)[*:1])NC[C@H]1CCCO1
CC(C)[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3CCCCCCC3)cc2)CC1 CC(C)[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCCCC1)C1CC[NH+](CC1)[*:1]
COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3ccc(OC)cc3OC)ccc12 COC(=O)[*:1] COc1ccc(c(c1)OC)-n1ccc2c(cnc3c(c(C)nn32)[*:1])c1=O
CC[C@H](C)C[C@@H](C)NC(=O)c1cccc(C(=O)NC)c1 CNC(=O)[*:1] CC[C@H](C)C[C@@H](C)NC(=O)c1cccc(c1)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)c1cccc(C(=O)NC)c1 CC[C@H](C)C[*:1] CNC(=O)c1cccc(c1)C(=O)N[C@H](C)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)c1cccc(C(=O)NC)c1 CC[C@H](C)[*:1] CNC(=O)c1cccc(c1)C(=O)N[C@H](C)C[*:1]
CC(C)([NH3+])CS[C@H]1CCOC2(CCSCC2)C1 CC(C)([NH3+])[*:1] C1C[C@@H](CC2(CCSCC2)O1)SC[*:1]
CC(C)([NH3+])CS[C@H]1CCOC2(CCSCC2)C1 CC(C)([NH3+])C[*:1] C1C[C@@H](CC2(CCSCC2)O1)S[*:1]
COc1ccc(NC(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)cc1 Fc1ccccc1O[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)C[*:1]
COc1ccc(NC(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)cc1 Fc1ccccc1OC[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(NC(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccccc1F)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccc(NC(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)CO[*:1]
CCN(C)C(=O)[C@H]1CSCN1C(=O)C[C@@H](O)c1ccccc1 CCN(C)C(=O)[*:1] O=C(C[C@@H](O)c1ccccc1)N1CSC[C@@H]1[*:1]
CCN(C)C(=O)[C@H]1CSCN1C(=O)C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CCN(C)C(=O)[C@H]1CSCN1C(=O)C[C@@H](O)[*:1]
CCn1c(C)cc(C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)c1C CCn1c(C)cc(c1C)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)N1CCOCC1
CCn1c(C)cc(C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)c1C O=C(N1CCOCC1)[*:1] CCn1c(C)cc(C(=O)Nc2cc(ccc2C)[*:1])c1C
CN(CCCNC(=O)Nc1cccnc1-n1cncn1)c1ccccc1 c1ncn(n1)[*:1] CN(CCCNC(=O)Nc1cccnc1[*:1])c1ccccc1
CN(CCCNC(=O)Nc1cccnc1-n1cncn1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCNC(=O)Nc1cccnc1-n1cncn1)[*:1]
CN(CCCNC(=O)Nc1cccnc1-n1cncn1)c1ccccc1 CN(c1ccccc1)[*:1] O=C(NCCC[*:1])Nc1cccnc1-n1cncn1
Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cn1 C1CN(CCO1)[*:1] Cc1ccc(cn1)C(=O)NCc1cc[nH+]c(c1)[*:1]
Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cn1 Cc1ccc(cn1)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCOCC1)[*:1]
Cc1ccc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)c1cccc(c1)NS(C)(=O)=O)[*:1]
Cc1ccc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)o1 CS(=O)(=O)N[*:1] Cc1ccc(CN(C)C(=O)c2cccc(c2)[*:1])o1
Cc1ccc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)NS(C)(=O)=O
CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1 CC(=O)N[*:1] CN1C(=O)C[C@H](C(=O)Nc2cccc(c2)[*:1])[C@@H]1c1ccccc1
CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1[*:1]
C[C@H](NC(=O)N(C)[C@H]1CCc2ccccc2C1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)N(C)[C@H]1CCc2ccccc2C1)c1nc(no1)[*:1]
C/[NH+]=C(/NCc1cccc(-c2nc[nH]n2)c1)N[C@H](C)c1ccccc1 c1nc(n[nH]1)[*:1] C/[NH+]=C(/NCc1cccc(c1)[*:1])N[C@H](C)c1ccccc1
C/[NH+]=C(/NCc1cccc(-c2nc[nH]n2)c1)N[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C/[NH+]=C(/NCc1cccc(c1)-c1nc[nH]n1)N[*:1]
C/[NH+]=C(/NCc1cccc(-c2nc[nH]n2)c1)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCc1cccc(c1)-c1nc[nH]n1)N[C@H](C)[*:1]
COc1ccccc1CN1C[C@H](C(=O)NCC2(C)COC2)CCC1=O CC1(COC1)C[*:1] COc1ccccc1CN1C[C@@H](CCC1=O)C(=O)N[*:1]
COc1ccccc1CN1C[C@H](C(=O)NCC2(C)COC2)CCC1=O COc1ccccc1[*:1] CC1(CNC(=O)[C@@H]2CCC(=O)N(C2)C[*:1])COC1
COc1ccccc1CN1C[C@H](C(=O)NCC2(C)COC2)CCC1=O CC1(COC1)[*:1] COc1ccccc1CN1C[C@@H](CCC1=O)C(=O)NC[*:1]
COc1ccc(OC)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCCC2)c1 COc1ccc(OC)c(c1)[*:1] O=C(C[NH+]1CCCC1)N1N=C(C[C@@H]1[*:1])c1ccc(F)cc1
COc1ccc(OC)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCCC2)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@H]1CC(=NN1C(=O)C[NH+]1CCCC1)[*:1]
Cc1ccc2c(c1)CCN2C(=O)CCSc1ccccn1 c1ccc(nc1)S[*:1] Cc1ccc2c(c1)CCN2C(=O)CC[*:1]
Cc1ccc2c(c1)CCN2C(=O)CCSc1ccccn1 c1ccc(nc1)[*:1] Cc1ccc2c(c1)CCN2C(=O)CCS[*:1]
Cc1ccc(CNC(=O)[C@H](C)[S@@](=O)Cc2cccc(F)c2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])[S@@](=O)Cc1cccc(F)c1
Cc1ccc(CNC(=O)[C@H](C)[S@@](=O)Cc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)CNC(=O)[C@H](C)[S@@](=O)C[*:1]
CC[NH+]1CCN(CC(=O)NCc2cccc(NC(=O)C3CCC3)c2)CC1 C1CC(C1)[*:1] CC[NH+]1CCN(CC1)CC(=O)NCc1cccc(c1)NC(=O)[*:1]
CC[NH+]1CCN(CC(=O)NCc2cccc(NC(=O)C3CCC3)c2)CC1 O=C(N[*:1])C1CCC1 CC[NH+]1CCN(CC1)CC(=O)NCc1cccc(c1)[*:1]
Cc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(Cl)c1 O=C([O-])[*:1] Cc1cc(Cl)ccc1-c1ccc(c(Cl)c1)[*:1]
O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)NCc1cccs1 c1csc(c1)C[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cccc(Br)c1)N[*:1]
O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)NCc1cccs1 c1csc(c1)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cccc(Br)c1)NC[*:1]
O=C(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)NCc1cccs1 Brc1cccc(c1)[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])NCc1cccs1
Cc1cccc(CSc2nnc(C(F)(F)F)n2N)c1 FC(F)(F)[*:1] Cc1cccc(c1)CSc1nnc(n1N)[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)C1CCC1 C1CC(C1)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)[*:1]
CCC(C)(C)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 CCC(C)(C)[*:1] O=C(N1CCO[C@H](C1)c1ccc(Cl)c(Cl)c1)[*:1]
O=C(NCc1cscn1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 c1nc(cs1)C[*:1] O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)N[*:1]
O=C(NCc1cscn1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1cscn1)N[C@@H]1CCO[C@@H]1[*:1]
O=C(NCc1cscn1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 c1nc(cs1)[*:1] O=C(NC[*:1])N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1
C[C@]1(C2CC2)NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(Cc2ccc(cc2)[*:1])C1=O)C1CC1
C[C@]1(C2CC2)NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O C1CC1[*:1] C[C@@]1(NC(=O)N(Cc2ccc(cc2)-c2ccccc2)C1=O)[*:1]
COCCC1(C(=O)N[C@@H](CO)c2ccco2)CCC1 c1coc(c1)[*:1] COCCC1(CCC1)C(=O)N[C@@H](CO)[*:1]
COCCC1(C(=O)N[C@@H](CO)c2ccco2)CCC1 COC[*:1] O=C(N[C@@H](CO)c1ccco1)C1(CCC1)C[*:1]
COCCC1(C(=O)N[C@@H](CO)c2ccco2)CCC1 COCC[*:1] O=C(N[C@@H](CO)c1ccco1)C1(CCC1)[*:1]
C[C@@H]1CC(C(=O)Nc2cnc(C(C)(C)C)nc2)C[C@@H](C)O1 CC(C)(C)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1cnc(nc1)[*:1]
O=C(Cc1ccc(Br)cc1)OCn1nnc2ccccc2c1=O Brc1ccc(cc1)[*:1] O=C(C[*:1])OCn1nnc2ccccc2c1=O
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl O=[N+]([O-])[*:1] C[C@@H](Oc1ccccc1[*:1])C(=O)Nc1cc(Cl)ccc1Cl
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2)nnc1-c1ccoc1C Cc1cccc(c1)[*:1] C=CCn1c(nnc1-c1ccoc1C)S[C@H](C)C(=O)N[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2)nnc1-c1ccoc1C Cc1occc1[*:1] C=CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1cccc(C)c1
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C)c2)nnc1-c1ccoc1C C=CC[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)n1[*:1]
C[NH+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C[NH+](C)C[C@H]1CCN(C1)C(=O)O[*:1]
Cc1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)cc1F Fc1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
Cc1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)cc1F Cc1ccc(cc1F)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)N[*:1]
Cc1ccc(OC(=O)C2CCN(c3ncccn3)CC2)c(C)c1 c1cnc(nc1)[*:1] Cc1ccc(OC(=O)C2CCN(CC2)[*:1])c(C)c1
Cc1ccc(CNC(=O)C2CCN(Cc3cnc4cnccn34)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)Cc1cnc2cnccn12
Cc1ccc(CNC(=O)C2CCN(Cc3cnc4cnccn34)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)Cc1cnc2cnccn12
Cc1cc(Oc2nc(Br)cs2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])Oc1nc(Br)cs1
O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)n1nc(SCc3ccccc3Cl)nc1N2 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1CCCC2Nc3nc(nn3[C@@H](C=21)[*:1])SCc1ccccc1Cl
O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)n1nc(SCc3ccccc3Cl)nc1N2 Clc1ccccc1C[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)c1ccc(cc1)[N+](=O)[O-])S[*:1]
O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)n1nc(SCc3ccccc3Cl)nc1N2 O=[N+]([O-])[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)c1ccc(cc1)[*:1])SCc1ccccc1Cl
O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)n1nc(SCc3ccccc3Cl)nc1N2 Clc1ccccc1CS[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)n1nc(SCc3ccccc3Cl)nc1N2 Clc1ccccc1[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)c1ccc(cc1)[N+](=O)[O-])SC[*:1]
CCC[C@@H](C)NC(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1 CCC[*:1] C[C@@H](NC(=O)CSC1NC(=O)[C@H](C#N)C(C)(C)C=1C#N)[*:1]
CCC[C@@H](C)NC(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1 CCC[C@@H](C)[*:1] CC1(C)C(C#N)=C(NC(=O)[C@@H]1C#N)SCC(=O)N[*:1]
C#CCNC(=O)C[C@@H]1c2nc(NC(=O)C3CCCCC3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO C1CCC(CC1)[*:1] C#CCNC(=O)C[C@@H]1c2nc(NC(=O)[*:1])sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO
C#CCNC(=O)C[C@@H]1c2nc(NC(=O)C3CCCCC3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO C#CCNC(=O)C[*:1] C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2[*:1])NC(=O)C1CCCCC1
C#CCNC(=O)C[C@@H]1c2nc(NC(=O)C3CCCCC3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO C#CC[*:1] C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2CC(=O)N[*:1])NC(=O)C1CCCCC1
C#CCNC(=O)C[C@@H]1c2nc(NC(=O)C3CCCCC3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO O=C(N[*:1])C1CCCCC1 C#CCNC(=O)C[C@@H]1c2nc(sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO)[*:1]
C#CCNC(=O)C[C@@H]1c2nc(NC(=O)C3CCCCC3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO C#CCNC(=O)[*:1] C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2C[*:1])NC(=O)C1CCCCC1
Cc1cccc(C(=O)N(CC[NH+](C)C)c2nc3cc(C)c(C)cc3s2)c1 Cc1cccc(c1)[*:1] Cc1cc2nc(sc2cc1C)N(CC[NH+](C)C)C(=O)[*:1]
Nc1nonc1-n1nnc(C(=O)NN=C2CCC(c3ccccc3)CC2)c1-c1ccccc1 c1ccc(cc1)[*:1] Nc1nonc1-n1nnc(C(=O)NN=C2CCC(CC2)[*:1])c1-c1ccccc1
Nc1nonc1-n1nnc(C(=O)NN=C2CCC(c3ccccc3)CC2)c1-c1ccccc1 c1ccc(cc1)[*:1] Nc1nonc1-n1nnc(C(=O)NN=C2CCC(CC2)c2ccccc2)c1[*:1]
Nc1nonc1-n1nnc(C(=O)NN=C2CCC(c3ccccc3)CC2)c1-c1ccccc1 Nc1nonc1[*:1] O=C(NN=C1CCC(CC1)c1ccccc1)c1nnn(c1-c1ccccc1)[*:1]
CCO[C@@H](C)c1nc(CC(=O)N(C)Cc2nccs2)cs1 c1csc(C[*:1])n1 CCO[C@@H](C)c1nc(cs1)CC(=O)N(C)[*:1]
CCO[C@@H](C)c1nc(CC(=O)N(C)Cc2nccs2)cs1 CCO[C@@H](C)[*:1] CN(Cc1nccs1)C(=O)Cc1csc(n1)[*:1]
CCO[C@@H](C)c1nc(CC(=O)N(C)Cc2nccs2)cs1 c1csc(n1)[*:1] CCO[C@@H](C)c1nc(cs1)CC(=O)N(C)C[*:1]
CCO[C@@H](C)c1nc(CC(=O)N(C)Cc2nccs2)cs1 CCO[*:1] C[C@@H](c1nc(cs1)CC(=O)N(C)Cc1nccs1)[*:1]
O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 c1ccc2cc(ccc2c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])N(C1CC1)[C@@H]1CCS(=O)(=O)C1
O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O[C@H]1C[NH2+][C@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 FC(F)(F)[*:1] O[C@H]1C[NH2+][C@@H](C1)c1nc(no1)-c1ccc(cc1)[*:1]
CC(C)CCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1 CC(C)CCN[*:1] O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(nn1)[*:1]
CC(C)CCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1 CC(C)C[*:1] O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(nn1)NC[*:1]
CC(C)CCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1 CC(C)[*:1] O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(nn1)NCC[*:1]
CC(C)CCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1 Clc1ccc(cc1)[*:1] CC(C)CCNc1ccc(nn1)S(=O)(=O)C[*:1]
CC(C)CCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1 CC(C)CC[*:1] O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(nn1)N[*:1]
O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccco1 Clc1ccc(cc1Cl)[*:1] O=C(NC(=S)Nc1ccc2oc(nc2c1)[*:1])c1ccco1
O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccco1 c1coc(c1)[*:1] O=C(NC(=S)Nc1ccc2oc(nc2c1)-c1ccc(Cl)c(Cl)c1)[*:1]
CCn1c(S[C@@H]2CCCCCC2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 O=S(=O)(N1CCOCC1)[*:1] CCn1c(nc2cc(ccc21)[*:1])S[C@@H]1CCCCCC1=O
CC1(NC(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)CCC1 CC1(CCC1)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)N[*:1]
CC(C)(C)[NH2+]Cc1ccn(CC(C)(C)C(=O)[O-])c1 O=C([O-])[*:1] CC(C)(C)[NH2+]Cc1ccn(c1)CC(C)(C)[*:1]
CC(C)(C)[NH2+]Cc1ccn(CC(C)(C)C(=O)[O-])c1 CC(C)(C)[*:1] CC(C)(Cn1ccc(c1)C[NH2+][*:1])C(=O)[O-]
CC(C)(C)[NH2+]Cc1ccn(CC(C)(C)C(=O)[O-])c1 CC(C)(C(=O)[O-])[*:1] CC(C)(C)[NH2+]Cc1ccn(c1)C[*:1]
CC(C)(C)[NH2+]Cc1ccn(CC(C)(C)C(=O)[O-])c1 CC(C)(C)[NH2+]C[*:1] CC(C)(Cn1ccc(c1)[*:1])C(=O)[O-]
C[NH+](C)[C@@H]1CCN(CC(=O)N2CCC(Cc3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CCN(CC(=O)N2CCC(CC2)C[*:1])C1
C[NH+](C)[C@@H]1CCN(CC(=O)N2CCC(Cc3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)C[*:1] C[NH+](C)[C@@H]1CCN(CC(=O)N2CCC(CC2)[*:1])C1
COc1cccc(N2C[C@@H](C(=O)N3CCC(Oc4nc5c(C)ccc(C)c5s4)CC3)CC2=O)c1 COc1cccc(c1)[*:1] Cc1ccc(C)c2sc(nc12)OC1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1cccc(N2C[C@@H](C(=O)N3CCC(Oc4nc5c(C)ccc(C)c5s4)CC3)CC2=O)c1 Cc1ccc(C)c2sc(nc12)[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)O[*:1]
C[C@@H](Cc1c(F)cccc1F)NC(=O)N1CCC[C@H]1c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](Cc1c(F)cccc1F)NC(=O)N1CCC[C@@H]1[*:1]
C[C@@H](Cc1c(F)cccc1F)NC(=O)N1CCC[C@H]1c1ccncc1 Fc1cccc(F)c1[*:1] C[C@@H](C[*:1])NC(=O)N1CCC[C@H]1c1ccncc1
O=C(NCc1cnn(Cc2ccccc2)c1)c1cccs1 c1ccc(cc1)C[*:1] O=C(NCc1cnn(c1)[*:1])c1cccs1
O=C(NCc1cnn(Cc2ccccc2)c1)c1cccs1 c1csc(c1)[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)[*:1]
O=C(NCc1cnn(Cc2ccccc2)c1)c1cccs1 c1ccc(cc1)[*:1] O=C(NCc1cnn(c1)C[*:1])c1cccs1
Cc1ccc([C@@H](C[NH2+]Cc2cc(F)ccc2F)N2CCOCC2)o1 Fc1ccc(F)c(c1)[*:1] Cc1ccc(o1)[C@@H](C[NH2+]C[*:1])N1CCOCC1
Cc1ccc([C@@H](C[NH2+]Cc2cc(F)ccc2F)N2CCOCC2)o1 Cc1ccc(o1)[*:1] Fc1ccc(F)c(c1)C[NH2+]C[C@@H](N1CCOCC1)[*:1]
Cc1ccc([C@@H](C[NH2+]Cc2cc(F)ccc2F)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](C[NH2+]Cc1cc(F)ccc1F)[*:1]
CC(C)c1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)O)CCC2 C[C@H](O)C[*:1] CC(C)c1ccc2CCC[C@@H]([NH2+]C[*:1])c2c1
CC(C)c1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)O)CCC2 CC(C)[*:1] C[C@H](O)CC[NH2+][C@@H]1CCCc2ccc(cc21)[*:1]
CC(C)c1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)O)CCC2 C[C@H](O)[*:1] CC(C)c1ccc2CCC[C@@H]([NH2+]CC[*:1])c2c1
CCOC(=O)c1c(NC(=O)/C=C(/C)C(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 CCOC(=O)[*:1] C/C(=C/C(=O)Nc1sc2C[C@H](CCc2c1[*:1])C(C)(C)C)C(=O)[O-]
CCOC(=O)c1c(NC(=O)/C=C(/C)C(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 C/C(=C/C(=O)N[*:1])C(=O)[O-] CCOC(=O)c1c(sc2C[C@H](CCc21)C(C)(C)C)[*:1]
CCOC(=O)c1c(NC(=O)/C=C(/C)C(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 O=C([O-])[*:1] CCOC(=O)c1c(NC(=O)C=C(C)[*:1])sc2C[C@H](CCc21)C(C)(C)C
CCOC(=O)c1c(NC(=O)/C=C(/C)C(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 CC(C)(C)[*:1] CCOC(=O)c1c(NC(=O)/C=C(/C)C(=O)[O-])sc2C[C@@H](CCc21)[*:1]
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)c(COCC2CC2)c1 C1CC1C[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)c(c1)CO[*:1]
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)c(COCC2CC2)c1 C1CC1[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)c(c1)COC[*:1]
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)c(COCC2CC2)c1 C1CC1COC[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)c(c1)[*:1]
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)c(COCC2CC2)c1 C1CC1CO[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)c(c1)C[*:1]
Cn1cc([C@@H](O)CNC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cn1 Fc1ccccc1[*:1] Cn1cc(cn1)[C@@H](O)CNC(=O)N[C@H]1CCN(C1=O)[*:1]
Cn1cc([C@@H](O)CNC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cn1 Cn1cc(cn1)[*:1] O=C(NC[C@H](O)[*:1])N[C@H]1CCN(C1=O)c1ccccc1F
Cn1cc([C@@H](O)CNC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cn1 Cn1cc(cn1)[C@@H](O)[*:1] O=C(NC[*:1])N[C@H]1CCN(C1=O)c1ccccc1F
Cc1n[nH]c2ncc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc12 c1ccc(cc1)N[*:1] Cc1n[nH]c2ncc(cc12)C(=O)Nc1ccc(cc1)[*:1]
Cc1n[nH]c2ncc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc12 c1ccc(cc1)[*:1] Cc1n[nH]c2ncc(cc12)C(=O)Nc1ccc(cc1)N[*:1]
Cc1nc(C)c(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)o1 Clc1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1nc(C)c(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)o1 Cc1nc(C)c(o1)[*:1] O=C(Cc1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
Cc1nc(C)c(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)o1 Clc1ccc(cc1)C[*:1] Cc1nc(C)c(o1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)cc1OC CC1CCN(CC1)[*:1] COc1ccc(cc1OC)[C@H]1CCCN1C(=O)NCc1ccc([nH+]c1)[*:1]
COc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)cc1OC COc1ccc(cc1OC)[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)N1CCC[C@@H]1[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)CNc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] CC(C)c1cccc(c1NC(=O)CN[*:1])C(C)C
CC(C)c1cccc(C(C)C)c1NC(=O)CNc1ccc(F)c(Cl)c1 CC(C)[*:1] CC(C)c1cccc(c1NC(=O)CNc1ccc(F)c(Cl)c1)[*:1]
O=C(Cn1ccnc1)Nc1ccnn1Cc1ccc(Cl)cc1Cl c1cn(cn1)[*:1] O=C(C[*:1])Nc1ccnn1Cc1ccc(Cl)cc1Cl
O=C(Cn1ccnc1)Nc1ccnn1Cc1ccc(Cl)cc1Cl c1cn(cn1)C[*:1] O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)[*:1]
C[C@@H](O)CCNC(=O)c1ccc2c(c1)COCO2 C[C@@H](O)[*:1] O=C(NCC[*:1])c1ccc2OCOCc2c1
C[C@@H](O)CCNC(=O)c1ccc2c(c1)COCO2 C[C@@H](O)C[*:1] O=C(NC[*:1])c1ccc2OCOCc2c1
C[C@@H](O)CCNC(=O)c1ccc2c(c1)COCO2 C[C@@H](O)CC[*:1] O=C(N[*:1])c1ccc2OCOCc2c1
COc1ccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1OC Clc1cccc(c1)[*:1] COc1ccc(cc1OC)NC(=O)N[C@@H](C)[*:1]
Cc1occc1-c1nnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n1C O=C(N1CCCCC1)[*:1] Cc1occc1-c1nnc(S[C@H](c2ccccc2)[*:1])n1C
Cc1occc1-c1nnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])S[C@H](C(=O)N1CCCCC1)c1ccccc1
Cc1occc1-c1nnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1occc1-c1nnc(S[C@H](C(=O)N2CCCCC2)[*:1])n1C
Cc1ccc([C@H](CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)[NH+](C)C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)c1c(C)nn(c1Cl)[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H]([NH+](C)C)[*:1]
C[NH2+][C@@H](c1cccc(Cl)c1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[NH2+][C@@H](c1cccc(Cl)c1)[C@@H]1CCC[C@H](C1)[*:1]
Cc1ccc(NC(=O)NC(=O)[C@H](C)[N+]23CCN(CC2)CC3)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)NC(=O)N[*:1])[N+]12CCN(CC1)CC2
NC(=O)C1(NC(=O)c2ccc3ccc(Cl)cc3n2)CCCCC1 NC(=O)[*:1] O=C(NC1(CCCCC1)[*:1])c1ccc2ccc(Cl)cc2n1
C[C@H](CNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)Nc1ccccc1 CC(C)(C)[*:1] C[C@H](CNC(=O)[C@@H]1CCN(C1)C(=O)O[*:1])Nc1ccccc1
C[C@H](CNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C)N[*:1]
C[C@H](CNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@H](CNC(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Br)cc2)no1 Cc1cc(no1)[*:1] CC(C)Oc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(Br)cc1)[*:1]
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Br)cc2)no1 CC(C)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2)O[*:1])[C@H]1c1ccc(Br)cc1
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Br)cc2)no1 CC(C)O[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2)[*:1])[C@H]1c1ccc(Br)cc1
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Br)cc2)no1 CC(C)Oc1ccc(cc1)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(Br)cc1
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Br)cc2)no1 Brc1ccc(cc1)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2)OC(C)C)[C@@H]1[*:1]
CSCCC[NH2+][C@@H]1CS[C@H](C)C1 CSC[*:1] C[C@@H]1C[C@@H](CS1)[NH2+]CC[*:1]
CSCCC[NH2+][C@@H]1CS[C@H](C)C1 CSCC[*:1] C[C@@H]1C[C@@H](CS1)[NH2+]C[*:1]
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)c(Cl)c3N2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)c1nn2c(N[C@@H](C[C@H]2C(F)(F)F)[*:1])c1Cl
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)c(Cl)c3N2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)[C@@H]1C[C@H](n2nc(C(=O)N[*:1])c(Cl)c2N1)C(F)(F)F
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)c(Cl)c3N2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](n2nc(C(=O)Nc3ccc4OCOc4c3)c(Cl)c2N1)[*:1]
COc1cc(Cl)ccc1CNC(=O)N(C)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cc(Cl)ccc1CNC(=O)N(C)C[*:1]
O=C(N1CCC[C@@H](O)C1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(N1CCC[C@@H](O)C1)C1(CCOCC1)[*:1]
Cc1csc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 Clc1ccccc1[*:1] Cc1csc(c1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1csc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 Cc1csc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)[*:1])c1ccccc1Cl
NC(=O)c1cc(Cl)nnc1NCc1cccc(OCC(F)F)n1 FC(F)C[*:1] NC(=O)c1cc(Cl)nnc1NCc1cccc(n1)O[*:1]
NC(=O)c1cc(Cl)nnc1NCc1cccc(OCC(F)F)n1 FC(F)CO[*:1] NC(=O)c1cc(Cl)nnc1NCc1cccc(n1)[*:1]
NC(=O)c1cc(Cl)nnc1NCc1cccc(OCC(F)F)n1 FC(F)[*:1] NC(=O)c1cc(Cl)nnc1NCc1cccc(n1)OC[*:1]
NC(=O)c1cc(Cl)nnc1NCc1cccc(OCC(F)F)n1 NC(=O)[*:1] FC(F)COc1cccc(CNc2nnc(Cl)cc2[*:1])n1
N#CC1(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CCCC1 N#CC1(CCCC1)[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])c1ccccc1F
N#CC1(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CCCC1 Fc1ccccc1[*:1] N#CC1(CCCC1)C(=O)N1CCN(CCNC(=O)[*:1])CC1
CN(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 CN(C)C(=O)[*:1] O=c1c2ccc(Cl)cc2nc(SC[*:1])n1C[C@H]1CCCO1
CN(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CN(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1[*:1]
CN(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CN(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[*:1]
CN(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 CN(C)C(=O)CS[*:1] O=c1c2ccc(Cl)cc2nc(n1C[C@H]1CCCO1)[*:1]
CN(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 CN(C)C(=O)C[*:1] O=c1c2ccc(Cl)cc2nc(S[*:1])n1C[C@H]1CCCO1
CC1(C)[C@]2(C(=O)N(Cc3ccccc3)c3ccccn3)CC[C@@]1(C)C(=O)O2 c1ccc(cc1)C[*:1] CC1(C)[C@@]2(CC[C@@]1(C)C(=O)O2)C(=O)N(c1ccccn1)[*:1]
CC1(C)[C@]2(C(=O)N(Cc3ccccc3)c3ccccn3)CC[C@@]1(C)C(=O)O2 c1ccc(nc1)[*:1] CC1(C)[C@@]2(CC[C@@]1(C)C(=O)O2)C(=O)N(Cc1ccccc1)[*:1]
CC1(C)[C@]2(C(=O)N(Cc3ccccc3)c3ccccn3)CC[C@@]1(C)C(=O)O2 c1ccc(cc1)[*:1] CC1(C)[C@@]2(CC[C@@]1(C)C(=O)O2)C(=O)N(C[*:1])c1ccccn1
COc1cc(Cl)c(C)cc1N[C@@H](C)C#N C[C@@H](C#N)N[*:1] COc1cc(Cl)c(C)cc1[*:1]
COc1cc(Cl)c(C)cc1N[C@@H](C)C#N C[C@@H](C#N)[*:1] COc1cc(Cl)c(C)cc1N[*:1]
CC1(C)CCN(c2ncccc2C[NH2+]C2CC2)C1 C1CC1[*:1] CC1(C)CCN(C1)c1ncccc1C[NH2+][*:1]
Cc1cccc2nc([C@@H]3CCCC[C@@H]3C(=O)[O-])oc12 O=C([O-])[*:1] Cc1cccc2nc(oc12)[C@@H]1CCCC[C@H]1[*:1]
CCCOc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1Cl CCC[*:1] O=C(NCCn1cc[nH+]c1)Nc1ccc(O[*:1])c(Cl)c1
CCCOc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1Cl CCCO[*:1] O=C(NCCn1cc[nH+]c1)Nc1ccc(c(Cl)c1)[*:1]
COc1ccc(N2CCN(C(=O)c3c(C)[nH]c(C(C)=O)c3C)[C@@H](C)C2=O)cc1 CC(=O)[*:1] COc1ccc(cc1)N1CCN(C(=O)c2c(C)[nH]c(c2C)[*:1])[C@@H](C)C1=O
COc1ccc(N2CCN(C(=O)c3c(C)[nH]c(C(C)=O)c3C)[C@@H](C)C2=O)cc1 COc1ccc(cc1)[*:1] CC(=O)c1[nH]c(C)c(C(=O)N2CCN(C(=O)[C@@H]2C)[*:1])c1C
C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccc(F)cc3)c2c1 Fc1ccc(cc1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[*:1])c2c1
C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccc(F)cc3)c2c1 Fc1ccc(cc1)C[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N[*:1])c2c1
Cn1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)cc1=O CC(C)(C)[*:1] Cn1ccc(cc1=O)C[NH2+][C@@H](c1ccc(F)cc1)[*:1]
Cn1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)cc1=O Fc1ccc(cc1)[*:1] Cn1ccc(cc1=O)C[NH2+][C@@H](C(C)(C)C)[*:1]
CCn1nc(C)c2nc([C@H](C)Cl)n(CCC[NH+](C)C)c21 C[C@H](Cl)[*:1] CCn1nc(C)c2nc(n(CCC[NH+](C)C)c21)[*:1]
CCCC(CCC)[NH2+]CC(=O)NC CNC(=O)[*:1] CCCC(CCC)[NH2+]C[*:1]
CCCC(CCC)[NH2+]CC(=O)NC CCC[*:1] CCCC([NH2+]CC(=O)NC)[*:1]
C[C@@H](C(=O)NCc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NCc1ccccc1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)NCc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])N1CCN(CC1)C(=O)c1ccccc1
C[C@@H](C(=O)NCc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1ccccc1
CN(Cc1nnc(C2CC2)n1C)C(=O)c1cc(F)ccc1O C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)c1cc(F)ccc1O
C[C@H](NC(=O)N[C@H]1CCc2ccccc21)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)N[C@H]1CCc2ccccc21)c1cccc(c1)[*:1]
CCC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OC O=[N+]([O-])[*:1] CCC[C@H](NC(=O)c1ccc(Br)cc1[*:1])C(=O)OC
CCC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[*:1]
CCC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[*:1]
CCN(CCC(=O)OC)C(=O)c1cnc2c(c1)c(C)nn2C COC(=O)[*:1] CCN(CC[*:1])C(=O)c1cnc2c(c1)c(C)nn2C
CCN(CCC(=O)OC)C(=O)c1cnc2c(c1)c(C)nn2C COC(=O)CC[*:1] CCN(C(=O)c1cnc2c(c1)c(C)nn2C)[*:1]
CCN(CCC(=O)OC)C(=O)c1cnc2c(c1)c(C)nn2C COC(=O)C[*:1] CCN(C[*:1])C(=O)c1cnc2c(c1)c(C)nn2C
CCSc1ccc([C@@H](C)[NH2+]CCn2cccn2)cc1 c1cnn(c1)C[*:1] CCSc1ccc(cc1)[C@@H](C)[NH2+]C[*:1]
CCSc1ccc([C@@H](C)[NH2+]CCn2cccn2)cc1 c1cnn(c1)[*:1] CCSc1ccc(cc1)[C@@H](C)[NH2+]CC[*:1]
CCSc1ccc([C@@H](C)[NH2+]CCn2cccn2)cc1 CCS[*:1] C[C@@H]([NH2+]CCn1cccn1)c1ccc(cc1)[*:1]
O[C@@H](COC[C@@H]1CCCO1)CN1CCc2c(F)ccc(F)c2C1 C1CO[C@@H](C1)CO[*:1] O[C@H](CN1CCc2c(F)ccc(F)c2C1)C[*:1]
O[C@@H](COC[C@@H]1CCCO1)CN1CCc2c(F)ccc(F)c2C1 C1CO[C@@H](C1)[*:1] O[C@@H](COC[*:1])CN1CCc2c(F)ccc(F)c2C1
O[C@@H](COC[C@@H]1CCCO1)CN1CCc2c(F)ccc(F)c2C1 C1CO[C@@H](C1)C[*:1] O[C@@H](CO[*:1])CN1CCc2c(F)ccc(F)c2C1
CCN(CC)C(=O)c1cc(NC[C@]2(C)CCCO2)ccn1 CCN(CC)C(=O)[*:1] C[C@]1(CCCO1)CNc1ccnc(c1)[*:1]
CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc3cnccc23)C12CCCC2 CCO[*:1] O=C(Nc1cccc2cnccc12)C(=O)N[C@H]1C[C@H](C12CCCC2)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc2c(Cl)cccc2n1C c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)c1cc2c(Cl)cccc2n1C
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc2c(Cl)cccc2n1C c1ccc(cc1)C[*:1] Cc1nn(c(C)c1NC(=O)c1cc2c(Cl)cccc2n1C)[*:1]
Cc1nc(C)c(C#N)c(S[C@@H](C(=O)NC[C@@H]2CCCO2)C(C)C)n1 C1CO[C@@H](C1)[*:1] Cc1nc(C)c(C#N)c(n1)S[C@@H](C(=O)NC[*:1])C(C)C
Cc1nc(C)c(C#N)c(S[C@@H](C(=O)NC[C@@H]2CCCO2)C(C)C)n1 CC(C)[*:1] Cc1nc(C)c(C#N)c(n1)S[C@@H](C(=O)NC[C@@H]1CCCO1)[*:1]
Cc1nc(C)c(C#N)c(S[C@@H](C(=O)NC[C@@H]2CCCO2)C(C)C)n1 C1CO[C@@H](C1)C[*:1] Cc1nc(C)c(C#N)c(n1)S[C@@H](C(=O)N[*:1])C(C)C
CC[C@@H](C)NC(=O)Nc1cccc(C(F)(F)F)c1 CC[C@@H](C)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N[*:1]
CC[C@@H](C)NC(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCc2ccccc2C1 CC(C)[*:1] O=C(N[C@H]1CCc2ccccc2C1)[C@H]1CCCCN1C(=O)[*:1]
COc1ccccc1CNC(=O)CCn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O c1ccc(cc1)[*:1] COc1ccccc1CNC(=O)CCn1nc(C)c2c(C)n(nc2c1=O)[*:1]
COc1ccccc1CNC(=O)CCn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O COc1ccccc1C[*:1] Cc1nn(CCC(=O)N[*:1])c(=O)c2nn(-c3ccccc3)c(C)c12
COc1ccccc1CNC(=O)CCn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O COc1ccccc1[*:1] Cc1nn(CCC(=O)NC[*:1])c(=O)c2nn(-c3ccccc3)c(C)c12
COC(=O)[C@H](C)[C@@H](C)Sc1ccc(F)c(Cl)c1 COC(=O)[*:1] C[C@H]([C@@H](C)Sc1ccc(F)c(Cl)c1)[*:1]
Cc1cc(C)n(C)c(=O)c1C(=O)NCC1(c2ccccc2F)CCCC1 Fc1ccccc1[*:1] Cc1cc(C)n(C)c(=O)c1C(=O)NCC1(CCCC1)[*:1]
CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1C(=O)N[C@@H](C)[*:1]
CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 C[C@@H](c1ccccc1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1C(=O)N[*:1]
CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 CC(=O)c1cccc(c1)[*:1] C[C@H](NC(=O)c1ccccc1NS(=O)(=O)[*:1])c1ccccc1
CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 CC(=O)[*:1] C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)[*:1])c1ccccc1
Cc1ccc(N2CC[C@@H](N[C@H]3CCOc4ccc(F)cc43)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1[C@@H](CCN1[*:1])N[C@H]1CCOc2ccc(F)cc21
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCCCn1cc[nH+]c1 CC[S@@](=O)[*:1] O=C(NCCCn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1[*:1]
Cc1nc(Oc2cccnc2)c2c(-c3ccccc3)csc2n1 c1cncc(c1)O[*:1] Cc1nc(c2c(csc2n1)-c1ccccc1)[*:1]
Cc1nc(Oc2cccnc2)c2c(-c3ccccc3)csc2n1 c1ccc(cc1)[*:1] Cc1nc(Oc2cccnc2)c2c(csc2n1)[*:1]
Cc1nc(Oc2cccnc2)c2c(-c3ccccc3)csc2n1 c1cncc(c1)[*:1] Cc1nc(O[*:1])c2c(csc2n1)-c1ccccc1
COc1ccc2c(CC(=O)N3CCOC[C@H]3C(N)=O)coc2c1 NC(=O)[*:1] COc1ccc2c(coc2c1)CC(=O)N1CCOC[C@@H]1[*:1]
CN(Cc1csc2ccccc12)c1cc(-n2cccn2)nc(N)n1 c1cnn(c1)[*:1] CN(Cc1csc2ccccc12)c1cc(nc(N)n1)[*:1]
Cc1ccc(CNC(=O)NNC(=O)CCSc2ccc(F)cc2)s1 Fc1ccc(cc1)S[*:1] Cc1ccc(CNC(=O)NNC(=O)CC[*:1])s1
Cc1ccc(CNC(=O)NNC(=O)CCSc2ccc(F)cc2)s1 Cc1ccc(s1)[*:1] O=C(CCSc1ccc(F)cc1)NNC(=O)NC[*:1]
Cc1ccc(CNC(=O)NNC(=O)CCSc2ccc(F)cc2)s1 Cc1ccc(C[*:1])s1 O=C(CCSc1ccc(F)cc1)NNC(=O)N[*:1]
Cc1ccc(CNC(=O)NNC(=O)CCSc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] Cc1ccc(CNC(=O)NNC(=O)CCS[*:1])s1
CCc1cc(=O)n2nc([C@@H]3CCCN(C(=O)c4cc5ncccn5n4)C3)cc2[nH]1 c1cnc2cc(nn2c1)[*:1] CCc1cc(=O)n2nc(cc2[nH]1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc([S@](C)=O)cc2)C1 C[S@](=O)[*:1] CCNC(=O)[C@H]1CCCN(C1)C(=O)NCc1ccc(cc1)[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc([S@](C)=O)cc2)C1 CCNC(=O)[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)N1CCC[C@@H](C1)[*:1]
COc1ccccc1CNS(=O)(=O)c1ccc(OC)c(-c2noc(C)n2)c1 COc1ccccc1C[*:1] COc1ccc(cc1-c1noc(C)n1)S(=O)(=O)N[*:1]
COc1ccccc1CNS(=O)(=O)c1ccc(OC)c(-c2noc(C)n2)c1 Cc1nc(no1)[*:1] COc1ccccc1CNS(=O)(=O)c1ccc(OC)c(c1)[*:1]
COc1ccccc1CNS(=O)(=O)c1ccc(OC)c(-c2noc(C)n2)c1 COc1ccccc1[*:1] COc1ccc(cc1-c1noc(C)n1)S(=O)(=O)NC[*:1]
CNC(=O)c1cccc(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c1C Clc1ccc(cc1)C[*:1] CNC(=O)c1cccc(NC(=O)N(C)[C@@H](C)[*:1])c1C
CNC(=O)c1cccc(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1
CNC(=O)c1cccc(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] CNC(=O)c1cccc(NC(=O)N(C)[C@@H](C)C[*:1])c1C
Cc1c(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)nnn1-c1cccc2cccnc12 c1cnc2c(cccc2c1)[*:1] Cc1c(nnn1[*:1])C(=O)N[C@H](C)c1cccc(c1)N1CCCC1=O
Cc1c(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)nnn1-c1cccc2cccnc12 O=C1CCCN1[*:1] Cc1c(nnn1-c1cccc2cccnc12)C(=O)N[C@H](C)c1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(C[NH+]2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)C[NH+]1CC[NH+](CC1)C1CCC(CC1)[*:1]
O=[N+]([O-])c1cccc(C[NH+]2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 O=[N+]([O-])c1cccc(c1)[*:1] c1ccc(cc1)C1CCC(CC1)[NH+]1CC[NH+](CC1)C[*:1]
O=[N+]([O-])c1cccc(C[NH+]2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 O=[N+]([O-])[*:1] c1ccc(cc1)C1CCC(CC1)[NH+]1CC[NH+](CC1)Cc1cccc(c1)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1 CNC(=O)[*:1] COc1ccc(cc1NC(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C)[*:1]
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(CO)o2)CC1 OCc1ccc(o1)[*:1] C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC1)C[*:1]
CSc1ccc(O[C@H](C)C(=O)N(C)CC#N)cc1 N#CC[*:1] CSc1ccc(cc1)O[C@H](C)C(=O)N(C)[*:1]
CC(C)c1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)on1 CC(C)[*:1] C[NH+](C)CCOc1ccc(cc1)NC(=O)c1cc(no1)[*:1]
CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N\c1cc(Cl)c(O)c(Cl)c1 O=C([O-])c1cccc(c1)[*:1] CCN1C(=O)[C@@H](CC(=O)N[*:1])S/C1=N\c1cc(Cl)c(O)c(Cl)c1
CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N\c1cc(Cl)c(O)c(Cl)c1 Oc1c(Cl)cc(cc1Cl)[*:1] CCN1C(=O)[C@@H](CC(=O)Nc2cccc(c2)C(=O)[O-])SC1=N[*:1]
CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N\c1cc(Cl)c(O)c(Cl)c1 O=C([O-])[*:1] CCN1C(=O)[C@@H](CC(=O)Nc2cccc(c2)[*:1])S/C1=N\c1cc(Cl)c(O)c(Cl)c1
CC(C)C(=O)NCCNC(=O)c1ccccc1Cl CC(C)[*:1] O=C(NCCNC(=O)[*:1])c1ccccc1Cl
CC(C)C(=O)NCCNC(=O)c1ccccc1Cl CC(C)C(=O)N[*:1] O=C(NCC[*:1])c1ccccc1Cl
CCc1nn(C)cc1NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 CCc1nn(C)cc1[*:1] O=C(CCC1CCCC1)N1CCN(CC1)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)CC[*:1] CCc1nn(C)cc1NC(=O)N1CCN(CC1)C(=O)[*:1]
CCc1nn(C)cc1NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)C[*:1] CCc1nn(C)cc1NC(=O)N1CCN(CC1)C(=O)C[*:1]
CCc1nn(C)cc1NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)[*:1] CCc1nn(C)cc1NC(=O)N1CCN(CC1)C(=O)CC[*:1]
COc1ccccc1OCC(=O)NC[C@](C)(O)C1CC1 C1CC1[*:1] COc1ccccc1OCC(=O)NC[C@](C)(O)[*:1]
CN(Cc1nc2c(s1)CCCC2)C(=O)NCC(C)(C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1nc2CCCCc2s1)C(=O)NCC(C)(C)[*:1]
O=C(NC[C@@H](O)c1ccco1)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](O)c1ccco1)[C@@H](O)[*:1]
O=C(NC[C@@H](O)c1ccco1)[C@@H](O)c1ccccc1 c1coc(c1)[*:1] O=C(NC[C@@H](O)[*:1])[C@@H](O)c1ccccc1
Cc1n[nH]cc1C(=O)N1CCC[C@H](c2[nH+]c(Nc3ccccc3)n3c(C)c(C)sc23)C1 Cc1n[nH]cc1[*:1] Cc1sc2c([nH+]c(Nc3ccccc3)n2c1C)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1n[nH]cc1C(=O)N1CCC[C@H](c2[nH+]c(Nc3ccccc3)n3c(C)c(C)sc23)C1 c1ccc(cc1)[*:1] Cc1n[nH]cc1C(=O)N1CCC[C@@H](C1)c1[nH+]c(N[*:1])n2c(C)c(C)sc12
Cc1n[nH]cc1C(=O)N1CCC[C@H](c2[nH+]c(Nc3ccccc3)n3c(C)c(C)sc23)C1 c1ccc(cc1)N[*:1] Cc1n[nH]cc1C(=O)N1CCC[C@@H](C1)c1[nH+]c(n2c(C)c(C)sc12)[*:1]
COc1cc(N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)ncn1 COc1cc(ncn1)[*:1] Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C1)[*:1]
COc1cc(N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)ncn1 c1cn(cn1)C[*:1] COc1cc(ncn1)N1CCC[C@@H](C1)c1nnc(n1C)[*:1]
COc1cc(N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)ncn1 c1cn(cn1)[*:1] COc1cc(ncn1)N1CCC[C@@H](C1)c1nnc(C[*:1])n1C
COC(=O)C1(NCc2cnc(Cl)s2)CCCCC1 COC(=O)[*:1] Clc1ncc(CNC2(CCCCC2)[*:1])s1
COC(=O)C1(NCc2cnc(Cl)s2)CCCCC1 Clc1ncc(s1)[*:1] COC(=O)C1(CCCCC1)NC[*:1]
CCCOCC(=O)[C@H]1CCc2ccccc2C1 CCCO[*:1] O=C(C[*:1])[C@H]1CCc2ccccc2C1
CCCOCC(=O)[C@H]1CCc2ccccc2C1 CCCOC[*:1] O=C([C@H]1CCc2ccccc2C1)[*:1]
CCCOCC(=O)[C@H]1CCc2ccccc2C1 CCC[*:1] O=C(CO[*:1])[C@H]1CCc2ccccc2C1
CCCC(=O)Nc1cccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 CCCC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)Cn1ccnc1
CCCC(=O)Nc1cccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 c1cn(cn1)C[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 c1cn(cn1)[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)c1ccc(cc1)C[*:1]
CCCC(=O)Nc1cccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 CCC[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1ccc(cc1)Cn1ccnc1
COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)[C@@H]1C[C@@H]1[*:1]
NC1=C([O-])NC(c2ccccc2[N+](=O)[O-])=NN1O O=[N+]([O-])[*:1] NC1=C([O-])NC(=NN1O)c1ccccc1[*:1]
Cc1ccc(N2CCCC2=O)c(C(=O)N(C)Cc2[nH+]ccn2C)c1 O=C1CCCN1[*:1] Cc1ccc(c(c1)C(=O)N(C)Cc1[nH+]ccn1C)[*:1]
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(F)cc1F)N1CCN(CC1)C(=O)[*:1]
Cc1ccccc1[C@H](O)CNC(=O)c1cccnc1OCC(F)F FC(F)[*:1] Cc1ccccc1[C@H](O)CNC(=O)c1cccnc1OC[*:1]
Cc1ccccc1[C@H](O)CNC(=O)c1cccnc1OCC(F)F Cc1ccccc1[*:1] O=C(NC[C@@H](O)[*:1])c1cccnc1OCC(F)F
Cc1ccccc1[C@H](O)CNC(=O)c1cccnc1OCC(F)F FC(F)CO[*:1] Cc1ccccc1[C@H](O)CNC(=O)c1cccnc1[*:1]
Cc1ccccc1[C@H](O)CNC(=O)c1cccnc1OCC(F)F FC(F)C[*:1] Cc1ccccc1[C@H](O)CNC(=O)c1cccnc1O[*:1]
O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccco1)C1CC1 c1coc(c1)C[*:1] O=C1c2ccccc2C(=O)N1CC(=O)N(C1CC1)[*:1]
O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccco1)C1CC1 c1coc(c1)[*:1] O=C1c2ccccc2C(=O)N1CC(=O)N(C[*:1])C1CC1
O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccco1)C1CC1 C1CC1[*:1] O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccco1)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1nc(Cl)ccc1Cl N#CC[*:1] C[C@@H](N(C)C(=O)c1nc(Cl)ccc1Cl)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1nc(Cl)ccc1Cl C[C@@H](CC#N)[*:1] CN(C(=O)c1nc(Cl)ccc1Cl)[*:1]
C[C@@H]1NN(c2cccc(Cl)c2)[C@@H](C)[C@@H]1S[C@H]1N=NC(=O)NC1=O Clc1cccc(c1)[*:1] C[C@@H]1NN([C@@H](C)[C@@H]1S[C@H]1N=NC(=O)NC1=O)[*:1]
C=CC(=O)Nc1ccc2sc(-c3ccccc3O)nc2c1 C=CC(=O)N[*:1] Oc1ccccc1-c1nc2cc(ccc2s1)[*:1]
C=CC(=O)Nc1ccc2sc(-c3ccccc3O)nc2c1 Oc1ccccc1[*:1] C=CC(=O)Nc1ccc2sc(nc2c1)[*:1]
O=C(NCC1CCC(C(=O)N2CCOCC2)CC1)c1nn(-c2ccccc2)c2c1COC2 c1ccc(cc1)[*:1] O=C(NCC1CCC(CC1)C(=O)N1CCOCC1)c1nn(c2COCc12)[*:1]
O=C(NCC1CCC(C(=O)N2CCOCC2)CC1)c1nn(-c2ccccc2)c2c1COC2 O=C(N1CCOCC1)[*:1] O=C(NCC1CCC(CC1)[*:1])c1nn(-c2ccccc2)c2COCc12
CC[NH2+][C@@H](C)CSCC[NH+](C)C CC[NH2+][*:1] C[C@@H](CSCC[NH+](C)C)[*:1]
CC[NH2+][C@@H](C)CSCC[NH+](C)C C[NH+](C)C[*:1] CC[NH2+][C@@H](C)CSC[*:1]
CC(=O)Nc1cccc2c1CCN(CC(=O)N[C@](C)(C#N)C(C)C)C2 CC(=O)N[*:1] CC(C)[C@@](C)(C#N)NC(=O)CN1CCc2c(cccc2[*:1])C1
CC(=O)Nc1cccc2c1CCN(CC(=O)N[C@](C)(C#N)C(C)C)C2 CC(C)[*:1] CC(=O)Nc1cccc2CN(CCc21)CC(=O)N[C@](C)(C#N)[*:1]
CSc1cccc2sc(N3CCN(C(=O)COc4cccc(C)c4)CC3)nc12 Cc1cccc(c1)OC[*:1] CSc1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
CSc1cccc2sc(N3CCN(C(=O)COc4cccc(C)c4)CC3)nc12 Cc1cccc(c1)[*:1] CSc1cccc2sc(nc12)N1CCN(CC1)C(=O)CO[*:1]
CSc1cccc2sc(N3CCN(C(=O)COc4cccc(C)c4)CC3)nc12 Cc1cccc(c1)O[*:1] CSc1cccc2sc(nc12)N1CCN(CC1)C(=O)C[*:1]
Cc1cc(F)ccc1NC(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] Cc1cc(F)ccc1NC(=O)C(C(F)(F)F)(C(F)(F)F)[*:1]
Cc1cc(F)ccc1NC(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F Cc1cc(F)ccc1[*:1] O=C(N[*:1])C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
CCCOCC(=O)N1CCOc2ccc(OC)cc21 CCC[*:1] COc1ccc2OCCN(C(=O)CO[*:1])c2c1
CCCOCC(=O)N1CCOc2ccc(OC)cc21 CCCO[*:1] COc1ccc2OCCN(C(=O)C[*:1])c2c1
CCCOCC(=O)N1CCOc2ccc(OC)cc21 CCCOC[*:1] COc1ccc2OCCN(C(=O)[*:1])c2c1
CN(C)c1ccc(NC(=O)c2ccc[n+]([O-])c2)cn1 CN(C)[*:1] O=C(Nc1ccc(nc1)[*:1])c1ccc[n+]([O-])c1
Cc1ccc(CN(C)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)s1 Cc1ccc(C[*:1])s1 CN(C(=O)NC[C@@H]1CN(CCO1)Cc1ccccc1)[*:1]
Cc1ccc(CN(C)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)s1 c1ccc(cc1)[*:1] Cc1ccc(CN(C)C(=O)NC[C@@H]2CN(CCO2)C[*:1])s1
Cc1ccc(CN(C)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)s1 c1ccc(cc1)C[*:1] Cc1ccc(CN(C)C(=O)NC[C@@H]2CN(CCO2)[*:1])s1
Cc1ccc(CN(C)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)s1 Cc1ccc(s1)[*:1] CN(C[*:1])C(=O)NC[C@@H]1CN(CCO1)Cc1ccccc1
O=C(Cc1cccs1)Nc1cccc(N2CCCS2(=O)=O)c1 O=S1(=O)CCCN1[*:1] O=C(Cc1cccs1)Nc1cccc(c1)[*:1]
O=C(Cc1cccs1)Nc1cccc(N2CCCS2(=O)=O)c1 c1csc(c1)C[*:1] O=C(Nc1cccc(c1)N1CCCS1(=O)=O)[*:1]
O=C(Cc1cccs1)Nc1cccc(N2CCCS2(=O)=O)c1 c1csc(c1)[*:1] O=C(C[*:1])Nc1cccc(c1)N1CCCS1(=O)=O
COC(=O)[C@@]1(F)CCN(C(=O)CCc2ccc(F)c(F)c2)C1 COC(=O)[*:1] O=C(CCc1ccc(F)c(F)c1)N1CC[C@](F)(C1)[*:1]
CC(C)(C)c1csc(C[C@@H](C[NH3+])c2cccc(Cl)c2)n1 CC(C)(C)[*:1] [NH3+]C[C@H](Cc1nc(cs1)[*:1])c1cccc(Cl)c1
CC(=O)NC[C@@H]1CCCN(C(=O)NC2CCCCCCC2)C1 CC(=O)NC[*:1] O=C(NC1CCCCCCC1)N1CCC[C@H](C1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)NC2CCCCCCC2)C1 CC(=O)N[*:1] O=C(NC1CCCCCCC1)N1CCC[C@H](C1)C[*:1]
Cc1c(C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H]1CCC[C@H](C)[C@@H]1C
Cn1ncc2c1CCC[C@H]2[NH2+]C(C1CC1)C1CC1 C1CC1[*:1] Cn1ncc2c1CCC[C@H]2[NH2+]C(C1CC1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccc[nH]c1=O)c1ccccc1Cl O=c1[nH]cccc1[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])c1ccccc1Cl
C[NH+](C)[C@H](CNC(=O)c1ccc[nH]c1=O)c1ccccc1Cl Clc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc[nH]c1=O)[*:1]
N#Cc1cccc(NCc2ncc(-c3cccs3)o2)c1 c1csc(c1)[*:1] N#Cc1cccc(c1)NCc1ncc(o1)[*:1]
C[C@@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C O=[N+]([O-])[*:1] C[C@@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc(cc23)[*:1])[C@@H]1C
Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nc(sc1C(=O)N[C@@H]1C[C@H]1[*:1])-c1ccccc1Cl
Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 Clc1ccccc1[*:1] Cc1nc(sc1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[*:1]
COC[C@@H](C)CC(=O)Nc1cccc(Br)n1 COC[C@@H](C)[*:1] O=C(C[*:1])Nc1cccc(Br)n1
COC[C@@H](C)CC(=O)Nc1cccc(Br)n1 COC[*:1] C[C@@H](CC(=O)Nc1cccc(Br)n1)[*:1]
C[C@@H](O)CN(C)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 C[C@@H](O)C[*:1] C[C@H](CCNC(=O)N(C)[*:1])c1cccc(c1)C(F)(F)F
C[C@@H](O)CN(C)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](O)CN(C)C(=O)NCC[C@@H](C)c1cccc(c1)[*:1]
C[C@@H](O)CN(C)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 C[C@@H](O)[*:1] C[C@H](CCNC(=O)N(C)C[*:1])c1cccc(c1)C(F)(F)F
S=C(Nc1ccc(Br)cc1)NC1CCCC1 C1CCC(C1)[*:1] S=C(Nc1ccc(Br)cc1)N[*:1]
CSc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 CSc1ccc(cc1)[*:1] CS(=O)(=O)N(CC(=O)NN=C[*:1])c1ccccc1Br
CSc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 Brc1ccccc1[*:1] CSc1ccc(/C=N/NC(=O)CN(S(C)(=O)=O)[*:1])cc1
COc1ccc(CN2C[C@H](OC)CN(C(=O)C3=NNC(=O)CC3)CC2=O)cc1 COc1ccc(cc1)C[*:1] CO[C@@H]1CN(CC(=O)N(C1)[*:1])C(=O)C1CCC(=O)NN=1
COc1ccc(CN2C[C@H](OC)CN(C(=O)C3=NNC(=O)CC3)CC2=O)cc1 COc1ccc(cc1)[*:1] CO[C@H]1CN(C[*:1])C(=O)CN(C1)C(=O)C1CCC(=O)NN=1
CCCC(=O)Nc1c(/C(N)=N/O)cnn1C N/C(=N\O)[*:1] CCCC(=O)Nc1c(cnn1C)[*:1]
CCCC(=O)Nc1c(/C(N)=N/O)cnn1C CCC[*:1] Cn1ncc(/C(N)=N/O)c1NC(=O)[*:1]
Cc1ccc2ncc(C(=O)Nc3ccn(Cc4ccccn4)n3)n2c1 c1ccc(nc1)[*:1] Cc1ccc2ncc(C(=O)Nc3ccn(C[*:1])n3)n2c1
Cc1ccc2ncc(C(=O)Nc3ccn(Cc4ccccn4)n3)n2c1 c1ccc(C[*:1])nc1 Cc1ccc2ncc(C(=O)Nc3ccn(n3)[*:1])n2c1
O=Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] O=Cc1ccc(cc1)C(=O)OCC(=O)N[*:1]
O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1ccc(-c2ncon2)cc1 Clc1ccccc1[*:1] O=S(=O)(C=C[*:1])[N-]c1ccc(cc1)-c1ncon1
O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1ccc(-c2ncon2)cc1 c1nc(no1)[*:1] O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1ccc(cc1)[*:1]
CN(C(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)Cn1c(nc2ccccc21)S(C)(=O)=O)[*:1]
CN(C(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)C1CCCCC1 CS(=O)(=O)[*:1] CN(C(=O)Cn1c(nc2ccccc21)[*:1])C1CCCCC1
C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c1C Clc1ccc(cc1)[*:1] C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])c1C
C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c1C C=CC[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(C2=O)c2ccc(Cl)cc2)c(C)n1[*:1]
Cc1nn(CC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(C)c1[N+](=O)[O-] c1ccc2c(c1)ncn2C[*:1] Cc1nn(CC(=O)N[C@@H](c2ccc(F)cc2)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(C)c1[*:1]
Cc1nn(CC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(C)c1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1nn(CC(=O)N[C@@H](Cn2cnc3ccccc32)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(C)c1[N+](=O)[O-] c1ccc2c(c1)ncn2[*:1] Cc1nn(CC(=O)N[C@@H](C[*:1])c2ccc(F)cc2)c(C)c1[N+](=O)[O-]
Cc1nn(CC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c(C)c1[N+](=O)[O-] Cc1nn(c(C)c1[N+](=O)[O-])[*:1] O=C(C[*:1])N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1
Cc1ccc(NC(=O)C(=O)NCCCS(C)(=O)=O)c(F)c1 CS(=O)(=O)CC[*:1] Cc1ccc(NC(=O)C(=O)NC[*:1])c(F)c1
Cc1ccc(NC(=O)C(=O)NCCCS(C)(=O)=O)c(F)c1 CS(=O)(=O)C[*:1] Cc1ccc(NC(=O)C(=O)NCC[*:1])c(F)c1
Cc1ccc(NC(=O)C(=O)NCCCS(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] Cc1ccc(NC(=O)C(=O)NCCC[*:1])c(F)c1
Cc1ccc(NC(=O)C(=O)NCCCS(C)(=O)=O)c(F)c1 CS(=O)(=O)CCC[*:1] Cc1ccc(NC(=O)C(=O)N[*:1])c(F)c1
CCc1nn(C)c2c1nc([C@H](C)Cl)n2Cc1cscn1 c1nc(cs1)[*:1] CCc1nn(C)c2c1nc([C@H](C)Cl)n2C[*:1]
CCc1nn(C)c2c1nc([C@H](C)Cl)n2Cc1cscn1 c1nc(cs1)C[*:1] CCc1nn(C)c2c1nc([C@H](C)Cl)n2[*:1]
CCc1nn(C)c2c1nc([C@H](C)Cl)n2Cc1cscn1 C[C@H](Cl)[*:1] CCc1nn(C)c2c1nc(n2Cc1cscn1)[*:1]
O=C(CCN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Nc1ccnn1C1CCCC1 c1cc(n(n1)C1CCCC1)[*:1] O=C(CCN1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1)N[*:1]
O=C(CCN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Nc1ccnn1C1CCCC1 C1CCC(C1)[*:1] O=C(CCN1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1)Nc1ccnn1[*:1]
Cc1ccccc1COC1CCN(C(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 Cc1ccccc1[*:1] C[C@H](NC(=O)N1CCC(CC1)OC[*:1])[C@@H]1CCCO1
Cc1ccccc1COC1CCN(C(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 Cc1ccccc1C[*:1] C[C@H](NC(=O)N1CCC(CC1)O[*:1])[C@@H]1CCCO1
CC(C)COc1cccc([C@H]2NC(=O)c3ccccc3N2)c1 CC(C)C[*:1] O=C1N[C@@H](Nc2ccccc21)c1cccc(c1)O[*:1]
CC(C)COc1cccc([C@H]2NC(=O)c3ccccc3N2)c1 CC(C)CO[*:1] O=C1N[C@@H](Nc2ccccc21)c1cccc(c1)[*:1]
CC(C)COc1cccc([C@H]2NC(=O)c3ccccc3N2)c1 CC(C)[*:1] O=C1N[C@@H](Nc2ccccc21)c1cccc(c1)OC[*:1]
Cc1nc(/C=C/C(=O)N2CC[C@H](C)[C@H](O)C2)cs1 Cc1nc(cs1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)C=C[*:1]
Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCC(C)C)CC3)n2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1noc(n1)[C@@H](C)N1CC[NH+](CC1)CC[*:1]
Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCC(C)C)CC3)n2)cc1 CC(C)CC[*:1] Cc1ccc(cc1)-c1noc(n1)[C@@H](C)N1CC[NH+](CC1)[*:1]
Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCC(C)C)CC3)n2)cc1 CC(C)C[*:1] Cc1ccc(cc1)-c1noc(n1)[C@@H](C)N1CC[NH+](CC1)C[*:1]
Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCC(C)C)CC3)n2)cc1 Cc1ccc(cc1)[*:1] CC(C)CC[NH+]1CCN(CC1)[C@H](C)c1nc(no1)[*:1]
Cc1c(Cl)cccc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(Cl)cccc1NC(=O)CCCNc1ccccc1[*:1]
Cc1c(Cl)cccc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] Cc1c(Cl)cccc1[*:1] O=C(CCCNc1ccccc1[N+](=O)[O-])N[*:1]
CCc1nc2c(=O)n(CC(=O)NCc3cccc(C)c3)nc(C)c2s1 Cc1cccc(c1)C[*:1] CCc1nc2c(=O)n(CC(=O)N[*:1])nc(C)c2s1
CCc1nc2c(=O)n(CC(=O)NCc3cccc(C)c3)nc(C)c2s1 Cc1cccc(c1)[*:1] CCc1nc2c(=O)n(CC(=O)NC[*:1])nc(C)c2s1
O=C(NCCNC(=O)C1CC1)c1ccc(NC(=O)C2CC2)cc1 O=C(NC[*:1])C1CC1 O=C(NC[*:1])c1ccc(cc1)NC(=O)C1CC1
O=C(NCCNC(=O)C1CC1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C(NCC[*:1])c1ccc(cc1)NC(=O)C1CC1
O=C(NCCNC(=O)C1CC1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] O=C(NCCNC(=O)[*:1])c1ccc(cc1)NC(=O)C1CC1
O=C(NCCNC(=O)C1CC1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] O=C(NCCNC(=O)C1CC1)c1ccc(cc1)NC(=O)[*:1]
O=C(NCCNC(=O)C1CC1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C(NCCNC(=O)C1CC1)c1ccc(cc1)[*:1]
CCOC(=O)/C(C#N)=C\Nc1ccc(C(=O)N2CCC(C)CC2)cc1 CCOC(=O)[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)NC=C(C#N)[*:1]
CCN1CCO[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCN1CCO[C@@H](C1)C(=O)N[C@@H](C#N)[*:1]
CC(C)S(=O)(=O)c1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)S(=O)(=O)c1ccccc1NC(=O)N(C)C[*:1]
CC(C)S(=O)(=O)c1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1 CC(C)[*:1] CN(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1S(=O)(=O)[*:1]
CC(C)S(=O)(=O)c1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1 Brc1ccc(cc1)C[*:1] CC(C)S(=O)(=O)c1ccccc1NC(=O)N(C)[*:1]
CC(C)S(=O)(=O)c1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1 CC(C)S(=O)(=O)[*:1] CN(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1[*:1]
CCOC(=O)C1=C(CN(C)Cc2ccccc2F)NC(=O)NC1 Fc1ccccc1[*:1] CCOC(=O)C1CNC(=O)NC=1CN(C)C[*:1]
CCOC(=O)C1=C(CN(C)Cc2ccccc2F)NC(=O)NC1 CCOC(=O)[*:1] CN(CC1NC(=O)NCC=1[*:1])Cc1ccccc1F
CNS(=O)(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1C Fc1cccc(c1)[*:1] CNS(=O)(=O)c1cc(ccc1C)NC(=O)[*:1]
CNS(=O)(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1C CNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cccc(F)c1
Cc1c(Br)cccc1CS(=O)(=O)C[C@@H](C)CO C[C@@H](CO)[*:1] Cc1c(Br)cccc1CS(=O)(=O)C[*:1]
Cc1c(Br)cccc1CS(=O)(=O)C[C@@H](C)CO C[C@@H](CO)C[*:1] Cc1c(Br)cccc1CS(=O)(=O)[*:1]
COCCNC(=O)c1csc(NC(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] COCCNC(=O)c1csc(n1)NC(=O)[*:1]
COCCNC(=O)c1csc(NC(=O)c2ccccc2)n1 COC[*:1] O=C(Nc1nc(cs1)C(=O)NC[*:1])c1ccccc1
COCCNC(=O)c1csc(NC(=O)c2ccccc2)n1 COCCNC(=O)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1
COCCNC(=O)c1csc(NC(=O)c2ccccc2)n1 COCC[*:1] O=C(Nc1nc(cs1)C(=O)N[*:1])c1ccccc1
CCCCn1nc(C)c(/C=C/C(=O)N2CCC[C@@H](CNC(C)=O)C2)c1Cl CCC[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)/C=C/c1c(C)nn(C[*:1])c1Cl
CCCCn1nc(C)c(/C=C/C(=O)N2CCC[C@@H](CNC(C)=O)C2)c1Cl CC(=O)N[*:1] CCCCn1nc(C)c(/C=C/C(=O)N2CCC[C@H](C2)C[*:1])c1Cl
CCCCn1nc(C)c(/C=C/C(=O)N2CCC[C@@H](CNC(C)=O)C2)c1Cl CC(=O)NC[*:1] CCCCn1nc(C)c(/C=C/C(=O)N2CCC[C@@H](C2)[*:1])c1Cl
CCCCn1nc(C)c(/C=C/C(=O)N2CCC[C@@H](CNC(C)=O)C2)c1Cl CCCC[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)/C=C/c1c(C)nn(c1Cl)[*:1]
Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(=O)oc2ccccc12 c1coc(c1)[*:1] Cc1c(C(=O)NC[C@@H]([NH+]2CCCC2)[*:1])c(=O)oc2ccccc12
O=C(Nc1nnc(C2CC2)s1)c1ccc(OCc2cscn2)cc1 C1CC1[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(cc1)OCc1cscn1
O=C(Nc1nnc(C2CC2)s1)c1ccc(OCc2cscn2)cc1 c1nc(cs1)CO[*:1] O=C(Nc1nnc(s1)C1CC1)c1ccc(cc1)[*:1]
O=C(Nc1nnc(C2CC2)s1)c1ccc(OCc2cscn2)cc1 c1nc(cs1)C[*:1] O=C(Nc1nnc(s1)C1CC1)c1ccc(cc1)O[*:1]
O=C(Nc1nnc(C2CC2)s1)c1ccc(OCc2cscn2)cc1 C1CC1c1nnc(s1)[*:1] O=C(N[*:1])c1ccc(cc1)OCc1cscn1
O=C(Nc1nnc(C2CC2)s1)c1ccc(OCc2cscn2)cc1 c1nc(cs1)[*:1] O=C(Nc1nnc(s1)C1CC1)c1ccc(cc1)OC[*:1]
CN(C)C(=O)CCC[NH+](C)C1CCC(=O)CC1 CN(C)C(=O)[*:1] C[NH+](CCC[*:1])C1CCC(=O)CC1
O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)N[*:1]
O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)Nc1ccc(F)c(F)c1 c1ccc(cc1)[*:1] O=C(CN1N=C(c2ccccc2S1(=O)=O)[*:1])Nc1ccc(F)c(F)c1
Cc1nc(CS(=O)(=O)CC(=O)NCCc2ccc(Cl)cc2)no1 Cc1nc(no1)[*:1] O=C(CS(=O)(=O)C[*:1])NCCc1ccc(Cl)cc1
Cc1nc(CS(=O)(=O)CC(=O)NCCc2ccc(Cl)cc2)no1 Cc1nc(C[*:1])no1 O=C(CS(=O)(=O)[*:1])NCCc1ccc(Cl)cc1
Cc1nc(CS(=O)(=O)CC(=O)NCCc2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1nc(CS(=O)(=O)CC(=O)NCC[*:1])no1
COCCN(C)C(=O)Nc1c(F)cccc1F COCC[*:1] CN(C(=O)Nc1c(F)cccc1F)[*:1]
COCCN(C)C(=O)Nc1c(F)cccc1F COC[*:1] CN(C[*:1])C(=O)Nc1c(F)cccc1F
Cc1ncsc1CN[C@@H](C)c1cc(F)cc(F)c1 Cc1ncsc1[*:1] C[C@H](NC[*:1])c1cc(F)cc(F)c1
CC(C)NC(=O)NC[C@H]1OC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1O CC(C)NC(=O)N[*:1] O[C@H]1[C@@H](CO[C@@H]1C[*:1])[NH2+]C1CCC(F)(F)CC1
CC(C)NC(=O)NC[C@H]1OC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1O CC(C)[*:1] O=C(NC[C@H]1OC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1O)N[*:1]
CC(C)(C)C(=O)NCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 CC(C)(C)C(=O)N[*:1] O=C(NCC[*:1])N1CCCC[C@@H]1CN1CCOCC1
CC(C)(C)C(=O)NCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 CC(C)(C)[*:1] O=C(NCCNC(=O)[*:1])N1CCCC[C@@H]1CN1CCOCC1
CC(C)(C)C(=O)NCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] CC(C)(C)C(=O)NCCNC(=O)N1CCCC[C@@H]1C[*:1]
CC(C)(C)C(=O)NCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 CC(C)(C)C(=O)NC[*:1] O=C(NC[*:1])N1CCCC[C@@H]1CN1CCOCC1
CC(C)(C)C(=O)NCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] CC(C)(C)C(=O)NCCNC(=O)N1CCCC[C@H]1[*:1]
CN/C(=N\c1ccccc1OC)S[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O Cc1cccc(c1)[*:1] CN/C(=N\c1ccccc1OC)S[C@@H]1CC(=O)N(C1=O)[*:1]
CN/C(=N\c1ccccc1OC)S[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O COc1ccccc1[*:1] CNC(=N[*:1])S[C@@H]1CC(=O)N(C1=O)c1cccc(C)c1
O=C([O-])c1cccc(N/C(=[NH+]\Cc2ccccc2)N2CCN(c3ccc(F)cc3)CC2)c1 O=C([O-])c1cccc(c1)[*:1] Fc1ccc(cc1)N1CCN(CC1)/C(N[*:1])=[NH+]/Cc1ccccc1
O=C([O-])c1cccc(N/C(=[NH+]\Cc2ccccc2)N2CCN(c3ccc(F)cc3)CC2)c1 c1ccc(cc1)C[*:1] O=C([O-])c1cccc(c1)NC(=[NH+][*:1])N1CCN(CC1)c1ccc(F)cc1
O=C([O-])c1cccc(N/C(=[NH+]\Cc2ccccc2)N2CCN(c3ccc(F)cc3)CC2)c1 O=C([O-])[*:1] Fc1ccc(cc1)N1CCN(CC1)/C(Nc1cccc(c1)[*:1])=[NH+]/Cc1ccccc1
O=C([O-])c1cccc(N/C(=[NH+]\Cc2ccccc2)N2CCN(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] O=C([O-])c1cccc(c1)N/C(=[NH+]\Cc1ccccc1)N1CCN(CC1)[*:1]
O=C([O-])c1cccc(N/C(=[NH+]\Cc2ccccc2)N2CCN(c3ccc(F)cc3)CC2)c1 c1ccc(cc1)[*:1] O=C([O-])c1cccc(c1)N/C(=[NH+]\C[*:1])N1CCN(CC1)c1ccc(F)cc1
COc1ccc(Cl)cc1N[C@H](C)C(=O)N(C(C)C)C(C)C CC(C)[*:1] COc1ccc(Cl)cc1N[C@H](C)C(=O)N(C(C)C)[*:1]
CCC[C@](C)(C[NH2+]C1CC1)C[NH+]1C[C@@H](C)[C@H](C)C1 CCC[*:1] C[C@@H]1C[NH+](C[C@H]1C)C[C@](C)(C[NH2+]C1CC1)[*:1]
CCC[C@](C)(C[NH2+]C1CC1)C[NH+]1C[C@@H](C)[C@H](C)C1 C1CC1[NH2+]C[*:1] CCC[C@](C)(C[NH+]1C[C@@H](C)[C@H](C)C1)[*:1]
CCC[C@](C)(C[NH2+]C1CC1)C[NH+]1C[C@@H](C)[C@H](C)C1 C1CC1[*:1] CCC[C@](C)(C[NH2+][*:1])C[NH+]1C[C@@H](C)[C@H](C)C1
C[C@@H]1CCCN(C(=O)Nc2cccc(OCCF)c2)[C@H]1CO FCC[*:1] C[C@@H]1CCCN(C(=O)Nc2cccc(c2)O[*:1])[C@H]1CO
C[C@@H]1CCCN(C(=O)Nc2cccc(OCCF)c2)[C@H]1CO FCCO[*:1] C[C@@H]1CCCN(C(=O)Nc2cccc(c2)[*:1])[C@H]1CO
CNC(=O)c1cccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1 CNC(=O)[*:1] Cn1nc(CC(=O)Nc2cccc(c2)[*:1])c2ccccc2c1=O
Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Br)cc2)cc1 Cc1ccc(cc1)[*:1] O=C1N[C@H]([C@@H](C(=O)c2ccc(Br)cc2)[C@@](O)(N1)C(F)(F)F)[*:1]
Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Br)cc2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H]1NC(=O)N[C@@](O)([C@@H]1C(=O)c1ccc(Br)cc1)[*:1]
Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Br)cc2)cc1 O=C(c1ccc(Br)cc1)[*:1] Cc1ccc(cc1)[C@@H]1NC(=O)N[C@](O)([C@H]1[*:1])C(F)(F)F
Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1NC(=O)N[C@](O)([C@@H]1C(=O)[*:1])C(F)(F)F
CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)COC2)c1ccc(F)cc1F CCC[*:1] O=C(Nc1ccc2COCc2c1)C(=O)N[C@@H](c1ccc(F)cc1F)[*:1]
CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)COC2)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CCC[C@@H](NC(=O)C(=O)Nc1ccc2COCc2c1)[*:1]
CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)COC2)c1ccc(F)cc1F c1cc2COCc2cc1[*:1] CCC[C@@H](NC(=O)C(=O)N[*:1])c1ccc(F)cc1F
Cc1nc2sccn2c1CN1CCO[C@H](c2ccccc2Cl)C1 Clc1ccccc1[*:1] Cc1nc2sccn2c1CN1CCO[C@H](C1)[*:1]
Cc1c(NCC2(c3ccc(F)cc3)CCOCC2)cc(C#N)cc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])NCC1(CCOCC1)[*:1]
Cc1c(NCC2(c3ccc(F)cc3)CCOCC2)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])NCC1(CCOCC1)c1ccc(F)cc1
CCC[C@]1(CO)CCCN(C(=O)CN2CC[NH+](CC)CC2)C1 CCC[*:1] CC[NH+]1CCN(CC1)CC(=O)N1CCC[C@@](CO)(C1)[*:1]
Cc1cccc(-n2nnnc2SCC(=O)c2ccc(O)cc2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nnnn1[*:1])c1ccc(O)cc1
Cc1cccc(-n2nnnc2SCC(=O)c2ccc(O)cc2)c1 Oc1ccc(cc1)[*:1] Cc1cccc(c1)-n1nnnc1SCC(=O)[*:1]
CN(C)S(=O)(=O)c1ccc2[nH]/c(=N\C(=O)c3cc4ccccc4oc3=O)sc2c1 CN(C)S(=O)(=O)[*:1] O=C(/N=c1\[nH]c2ccc(cc2s1)[*:1])c1cc2ccccc2oc1=O
Cc1ccccc1[S@@](=O)CC(=O)Nc1sc(C)c(C)c1C Cc1ccccc1[*:1] Cc1sc(NC(=O)C[S@](=O)[*:1])c(C)c1C
CC(C)OCC[NH+]1CCN(Cc2cccc(-c3ccncc3)c2)CC1 CC(C)O[*:1] c1cc(cc(c1)-c1ccncc1)CN1CC[NH+](CC1)CC[*:1]
CC(C)OCC[NH+]1CCN(Cc2cccc(-c3ccncc3)c2)CC1 CC(C)[*:1] c1cc(cc(c1)-c1ccncc1)CN1CC[NH+](CCO[*:1])CC1
CC(C)OCC[NH+]1CCN(Cc2cccc(-c3ccncc3)c2)CC1 c1cc(ccn1)[*:1] CC(C)OCC[NH+]1CCN(CC1)Cc1cccc(c1)[*:1]
CC(C)OCC[NH+]1CCN(Cc2cccc(-c3ccncc3)c2)CC1 CC(C)OC[*:1] c1cc(cc(c1)-c1ccncc1)CN1CC[NH+](CC1)C[*:1]
Cc1oc(-c2cccs2)nc1CS(=O)(=O)c1nncn1C1CC1 c1csc(c1)[*:1] Cc1oc(nc1CS(=O)(=O)c1nncn1C1CC1)[*:1]
Cc1oc(-c2cccs2)nc1CS(=O)(=O)c1nncn1C1CC1 C1CC1[*:1] Cc1oc(nc1CS(=O)(=O)c1nncn1[*:1])-c1cccs1
N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1cccs1 O=C(O[*:1])c1ccco1 N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1cccs1)[*:1]
N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1cccs1 c1csc(c1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1[*:1])OC(=O)c1ccco1
N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1cccs1 c1coc(c1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1cccs1)OC(=O)[*:1]
CCCNc1cc(C)ccc1C(=O)N(C)Cc1ncc[nH]1 c1c[nH]c(C[*:1])n1 CCCNc1cc(C)ccc1C(=O)N(C)[*:1]
CCCNc1cc(C)ccc1C(=O)N(C)Cc1ncc[nH]1 c1c[nH]c(n1)[*:1] CCCNc1cc(C)ccc1C(=O)N(C)C[*:1]
CCCNc1cc(C)ccc1C(=O)N(C)Cc1ncc[nH]1 CCC[*:1] Cc1ccc(C(=O)N(C)Cc2ncc[nH]2)c(c1)N[*:1]
CCCNc1cc(C)ccc1C(=O)N(C)Cc1ncc[nH]1 CCCN[*:1] Cc1ccc(C(=O)N(C)Cc2ncc[nH]2)c(c1)[*:1]
C=CCOc1ccccc1/C=C/C[NH2+]CC C=CC[*:1] CC[NH2+]C/C=C/c1ccccc1O[*:1]
C=CCOc1ccccc1/C=C/C[NH2+]CC C=CCO[*:1] CC[NH2+]C/C=C/c1ccccc1[*:1]
COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3ccncc3)n2)c1 COc1cccc(c1)[*:1] O=C(Cc1ccncc1)N1CCC[C@@H]1c1cccc(C[*:1])n1
COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3ccncc3)n2)c1 c1cc(ccn1)C[*:1] COc1cccc(c1)Cc1cccc(n1)[C@H]1CCCN1C(=O)[*:1]
COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3ccncc3)n2)c1 COc1cccc(c1)C[*:1] O=C(Cc1ccncc1)N1CCC[C@@H]1c1cccc(n1)[*:1]
COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3ccncc3)n2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)Cc1cccc(n1)[C@H]1CCCN1C(=O)C[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCOC[C@H]1CC(C)C CC(C)C[*:1] Cc1noc(C)c1CCCNC(=O)N1CCOC[C@@H]1[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCOC[C@H]1CC(C)C Cc1noc(C)c1[*:1] CC(C)C[C@@H]1COCCN1C(=O)NCCC[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCOC[C@H]1CC(C)C CC(C)[*:1] Cc1noc(C)c1CCCNC(=O)N1CCOC[C@H]1C[*:1]
CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)[*:1]
COc1cc(C)ccc1NC(=O)NCc1cc[nH+]c(N(C)C)c1 CN(C)[*:1] COc1cc(C)ccc1NC(=O)NCc1cc[nH+]c(c1)[*:1]
Nc1c(C(=O)N(Cc2ccccc2)c2ccccc2)[nH]c(=O)[nH]c1=O c1ccc(cc1)[*:1] Nc1c([nH]c(=O)[nH]c1=O)C(=O)N(C[*:1])c1ccccc1
Nc1c(C(=O)N(Cc2ccccc2)c2ccccc2)[nH]c(=O)[nH]c1=O c1ccc(cc1)[*:1] Nc1c([nH]c(=O)[nH]c1=O)C(=O)N(Cc1ccccc1)[*:1]
Nc1c(C(=O)N(Cc2ccccc2)c2ccccc2)[nH]c(=O)[nH]c1=O c1ccc(cc1)C[*:1] Nc1c([nH]c(=O)[nH]c1=O)C(=O)N(c1ccccc1)[*:1]
COc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1OC COc1ccc(cc1OC)[*:1] C[C@@]1(Cn2c(cc3occc32)C(=O)N1[*:1])C(=O)NC1CCCCC1
COc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1OC O=C(NC1CCCCC1)[*:1] COc1ccc(cc1OC)N1C(=O)c2cc3occc3n2C[C@@]1(C)[*:1]
COc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)N1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[*:1]
CCc1nn2c(ncc3c(=O)n(N(C)C)ccc32)c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nn2c(ncc3c(=O)n(ccc32)N(C)C)c1[*:1]
COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 C1CO[C@H](C1)[*:1] COc1cccc(c1)CC(=O)N(C[*:1])[C@@H]1CCSC1
COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 C1CO[C@H](C1)C[*:1] COc1cccc(c1)CC(=O)N([C@@H]1CCSC1)[*:1]
COC(=O)c1ccoc1COC(=O)c1cc(Cl)cc(Cl)c1N COC(=O)[*:1] Nc1c(Cl)cc(Cl)cc1C(=O)OCc1occc1[*:1]
c1ccc(C[C@H]([NH2+]C[C@H]2CCCN(c3ncccn3)C2)C2CC2)cc1 c1ccc(cc1)[*:1] c1cnc(nc1)N1CCC[C@H](C[NH2+][C@@H](C[*:1])C2CC2)C1
c1ccc(C[C@H]([NH2+]C[C@H]2CCCN(c3ncccn3)C2)C2CC2)cc1 c1ccc(cc1)C[*:1] c1cnc(nc1)N1CCC[C@H](C[NH2+][C@H](C2CC2)[*:1])C1
c1ccc(C[C@H]([NH2+]C[C@H]2CCCN(c3ncccn3)C2)C2CC2)cc1 c1cnc(nc1)[*:1] c1ccc(cc1)C[C@H]([NH2+]C[C@H]1CCCN(C1)[*:1])C1CC1
c1ccc(C[C@H]([NH2+]C[C@H]2CCCN(c3ncccn3)C2)C2CC2)cc1 C1CC1[*:1] c1ccc(cc1)C[C@H]([NH2+]C[C@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1cc(C)cc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)c1 Cc1nnc(SC[*:1])s1 Cc1cc(C)cc(c1)NC(=O)c1ccc(cc1)[*:1]
Cc1cc(C)cc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)c1 Cc1nnc(S[*:1])s1 Cc1cc(C)cc(c1)NC(=O)c1ccc(cc1)C[*:1]
Cc1cc(C)cc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)c1 Cc1cc(C)cc(c1)[*:1] Cc1nnc(SCc2ccc(cc2)C(=O)N[*:1])s1
Cc1cc(C)cc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)c1 Cc1nnc(s1)[*:1] Cc1cc(C)cc(c1)NC(=O)c1ccc(cc1)CS[*:1]
C[C@@H](CCO)SC[C@@H]1CCCc2ccccc21 C[C@@H](CCO)[*:1] c1ccc2c(c1)CCC[C@H]2CS[*:1]
C[C@@H](CCO)SC[C@@H]1CCCc2ccccc21 OCC[*:1] C[C@@H](SC[C@@H]1CCCc2ccccc21)[*:1]
CCc1c(C)sc2nc(SCC(N)=O)n(C[C@@H]3CCCO3)c(=O)c12 NC(=O)[*:1] CCc1c(C)sc2nc(SC[*:1])n(C[C@@H]3CCCO3)c(=O)c12
CCc1c(C)sc2nc(SCC(N)=O)n(C[C@@H]3CCCO3)c(=O)c12 NC(=O)C[*:1] CCc1c(C)sc2nc(S[*:1])n(C[C@@H]3CCCO3)c(=O)c12
CCc1c(C)sc2nc(SCC(N)=O)n(C[C@@H]3CCCO3)c(=O)c12 NC(=O)CS[*:1] CCc1c(C)sc2nc(n(C[C@@H]3CCCO3)c(=O)c12)[*:1]
CCc1c(C)sc2nc(SCC(N)=O)n(C[C@@H]3CCCO3)c(=O)c12 C1CO[C@@H](C1)[*:1] CCc1c(C)sc2nc(SCC(N)=O)n(C[*:1])c(=O)c12
CCc1c(C)sc2nc(SCC(N)=O)n(C[C@@H]3CCCO3)c(=O)c12 C1CO[C@@H](C1)C[*:1] CCc1c(C)sc2nc(SCC(N)=O)n(c(=O)c12)[*:1]
O=C(Nc1cccc(C(=O)OCC(F)(F)F)c1)c1cccnc1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)C(=O)OC[*:1])c1cccnc1
O=C(Nc1cccc(C(=O)OCC(F)(F)F)c1)c1cccnc1 c1cncc(c1)[*:1] O=C(OCC(F)(F)F)c1cccc(c1)NC(=O)[*:1]
O=C(Nc1cccc(C(=O)OCC(F)(F)F)c1)c1cccnc1 FC(F)(F)C[*:1] O=C(Nc1cccc(c1)C(=O)O[*:1])c1cccnc1
CCCNc1nnc(SCc2ccccc2Br)s1 CCCN[*:1] Brc1ccccc1CSc1nnc(s1)[*:1]
CCCNc1nnc(SCc2ccccc2Br)s1 CCC[*:1] Brc1ccccc1CSc1nnc(N[*:1])s1
Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)Cn1ccnc1 c1cn(cn1)[*:1] Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)C[*:1]
Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)Cn1ccnc1 c1cn(cn1)C[*:1] Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)[*:1]
CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc([N+](=O)[O-])cc1)/C(=C(\[O-])OC)C(C)=N2 O=[N+]([O-])c1ccc(cc1)[*:1] CCSc1nc2N=C(C)/C(=C(/[O-])OC)[C@@H](c2c(=O)[nH]1)[*:1]
CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc([N+](=O)[O-])cc1)/C(=C(\[O-])OC)C(C)=N2 O=[N+]([O-])[*:1] CCSc1nc2N=C(C)/C(=C(/[O-])OC)[C@@H](c3ccc(cc3)[*:1])c2c(=O)[nH]1
CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc([N+](=O)[O-])cc1)/C(=C(\[O-])OC)C(C)=N2 CCS[*:1] CO/C([O-])=C1\C(C)=Nc2nc([nH]c(=O)c2[C@@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
CON(C)C(=O)CN1CCOc2cc(Br)c(Cl)cc21 CON(C)C(=O)[*:1] Clc1cc2c(cc1Br)OCCN2C[*:1]
COc1cccc(-c2nc(Cn3cnc(C4CCC4)cc3=O)cs2)c1 C1CC(C1)[*:1] COc1cccc(c1)-c1nc(cs1)Cn1cnc(cc1=O)[*:1]
COc1cccc(-c2nc(Cn3cnc(C4CCC4)cc3=O)cs2)c1 COc1cccc(c1)[*:1] O=c1cc(ncn1Cc1csc(n1)[*:1])C1CCC1
CC[C@@H](C(=O)N1CCC(n2nnc3c(=O)nc(C)[nH]c32)CC1)c1ccccc1 CC[C@@H](c1ccccc1)[*:1] Cc1nc(=O)c2nnn(c2[nH]1)C1CCN(CC1)C(=O)[*:1]
CC[C@@H](C(=O)N1CCC(n2nnc3c(=O)nc(C)[nH]c32)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCC(CC1)n1nnc2c(=O)nc(C)[nH]c21)[*:1]
NC(=O)COc1cccc(CNC(=O)N2CCC[C@H]3CCC[C@@H]32)c1 NC(=O)CO[*:1] O=C(NCc1cccc(c1)[*:1])N1CCC[C@H]2CCC[C@@H]21
NC(=O)COc1cccc(CNC(=O)N2CCC[C@H]3CCC[C@@H]32)c1 NC(=O)C[*:1] O=C(NCc1cccc(c1)O[*:1])N1CCC[C@H]2CCC[C@@H]21
NC(=O)COc1cccc(CNC(=O)N2CCC[C@H]3CCC[C@@H]32)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)OC[*:1])N1CCC[C@H]2CCC[C@@H]21
CCC1(CC)[C@@H](NS(=O)(=O)C[C@@H]2CCOC2)[C@H](C)[C@@H]1OC C1C[C@H](CO1)[*:1] CCC1(CC)[C@@H](NS(=O)(=O)C[*:1])[C@H](C)[C@@H]1OC
CCC1(CC)[C@@H](NS(=O)(=O)C[C@@H]2CCOC2)[C@H](C)[C@@H]1OC C1C[C@H](CO1)C[*:1] CCC1(CC)[C@@H](NS(=O)(=O)[*:1])[C@H](C)[C@@H]1OC
COc1ccccc1NC(=O)N1CCC(CNS(=O)(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] COc1ccccc1NC(=O)N1CCC(CC1)CNS(=O)(=O)[*:1]
COc1ccccc1NC(=O)N1CCC(CNS(=O)(=O)C2CCCCC2)CC1 COc1ccccc1[*:1] O=C(N[*:1])N1CCC(CC1)CNS(=O)(=O)C1CCCCC1
CC[NH2+][C@@H](Cc1nccn1C)[C@@H]1C[C@@H]1C C[C@H]1C[C@H]1[*:1] CC[NH2+][C@@H](Cc1nccn1C)[*:1]
Cc1ccc(-c2c(C(=O)[O-])nnn2Cc2ccccc2F)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1c(nnn1Cc1ccccc1F)[*:1]
Cc1ccc(-c2c(C(=O)[O-])nnn2Cc2ccccc2F)cc1 Cc1ccc(cc1)[*:1] O=C([O-])c1nnn(Cc2ccccc2F)c1[*:1]
Cc1ccc(-c2c(C(=O)[O-])nnn2Cc2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-c1c(nnn1C[*:1])C(=O)[O-]
NC(=O)N1CCC([NH2+][C@H](c2ccccc2)C2CCC2)CC1 c1ccc(cc1)[*:1] NC(=O)N1CCC(CC1)[NH2+][C@H](C1CCC1)[*:1]
NC(=O)N1CCC([NH2+][C@H](c2ccccc2)C2CCC2)CC1 C1CC(C1)[*:1] NC(=O)N1CCC(CC1)[NH2+][C@H](c1ccccc1)[*:1]
CCC[NH2+]Cc1ccc(OC)c(OC2CCCC2)c1 CCC[*:1] COc1ccc(cc1OC1CCCC1)C[NH2+][*:1]
CCC[NH2+]Cc1ccc(OC)c(OC2CCCC2)c1 C1CCC(C1)O[*:1] CCC[NH2+]Cc1ccc(OC)c(c1)[*:1]
CCC[NH2+]Cc1ccc(OC)c(OC2CCCC2)c1 C1CCC(C1)[*:1] CCC[NH2+]Cc1ccc(OC)c(c1)O[*:1]
COC(=O)c1cccc(S(=O)(=O)N(c2ccccc2)C(C)C)c1 COC(=O)[*:1] CC(C)N(c1ccccc1)S(=O)(=O)c1cccc(c1)[*:1]
COC(=O)c1cccc(S(=O)(=O)N(c2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] COC(=O)c1cccc(c1)S(=O)(=O)N(C(C)C)[*:1]
COC(=O)c1cccc(S(=O)(=O)N(c2ccccc2)C(C)C)c1 CC(C)[*:1] COC(=O)c1cccc(c1)S(=O)(=O)N(c1ccccc1)[*:1]
C[C@H](NC(=O)NCC1(c2cccc(Cl)c2)CC1)[C@@H](C)CO C[C@@H](CO)[*:1] C[C@H](NC(=O)NCC1(CC1)c1cccc(Cl)c1)[*:1]
C[C@H](NC(=O)NCC1(c2cccc(Cl)c2)CC1)[C@@H](C)CO Clc1cccc(c1)[*:1] C[C@H](NC(=O)NCC1(CC1)[*:1])[C@@H](C)CO
O=[N+]([O-])c1ccc2oc(CN(CCO)c3ccccc3)nc2c1 OCC[*:1] O=[N+]([O-])c1ccc2oc(CN(c3ccccc3)[*:1])nc2c1
O=[N+]([O-])c1ccc2oc(CN(CCO)c3ccccc3)nc2c1 O=[N+]([O-])[*:1] OCCN(Cc1nc2cc(ccc2o1)[*:1])c1ccccc1
O=[N+]([O-])c1ccc2oc(CN(CCO)c3ccccc3)nc2c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc2oc(CN(CCO)[*:1])nc2c1
O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(-c2ccc(F)cc2)nc2ccccc12 C1CN(CCO1)C[*:1] O=C(Nc1nc(cs1)[*:1])c1cc(nc2ccccc12)-c1ccc(F)cc1
O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(-c2ccc(F)cc2)nc2ccccc12 C1CN(CCO1)[*:1] O=C(Nc1nc(cs1)C[*:1])c1cc(nc2ccccc12)-c1ccc(F)cc1
O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(-c2ccc(F)cc2)nc2ccccc12 Fc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)CN1CCOCC1)c1cc(nc2ccccc12)[*:1]
Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](C2C(=O)C[C@H](CC=2N1)[*:1])c1ccccc1C(F)(F)F
Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccccc1[*:1]
Cn1cccc1C(=O)NNC(=O)c1ccc(CSc2ncn[nH]2)cc1 Cn1cccc1[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)CSc1ncn[nH]1
Cn1cccc1C(=O)NNC(=O)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)S[*:1] Cn1cccc1C(=O)NNC(=O)c1ccc(cc1)C[*:1]
Cn1cccc1C(=O)NNC(=O)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)SC[*:1] Cn1cccc1C(=O)NNC(=O)c1ccc(cc1)[*:1]
Cn1cccc1C(=O)NNC(=O)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)[*:1] Cn1cccc1C(=O)NNC(=O)c1ccc(cc1)CS[*:1]
CCn1nc(C)cc1C(=O)NCC(=O)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] CCn1nc(C)cc1C(=O)NCC(=O)N1CCN(CC1)[*:1]
CCn1nc(C)cc1C(=O)NCC(=O)N1CCN(c2ccccc2F)CC1 CCn1nc(C)cc1[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1ccccc1F
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)no1 Clc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)SCC(=O)N1CCN(CC1)[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)no1 Cc1cc(no1)NC(=O)[*:1] C[C@H](SCC(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)no1 Cc1cc(no1)[*:1] C[C@H](SCC(=O)N1CCN(CC1)c1cccc(Cl)c1)C(=O)N[*:1]
CS(=O)(=O)[N-]c1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)[N-]c1ccc(cc1)NC(=O)c1[nH]nc(c1Br)[*:1]
CCCc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)sc1C O=S(=O)(N1CCOCC1)[*:1] CCCc1cc(sc1C)C(=O)Nc1ccc(F)c(c1)[*:1]
CCCc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)sc1C CCCc1cc(sc1C)[*:1] O=C(Nc1ccc(F)c(c1)S(=O)(=O)N1CCOCC1)[*:1]
CCCc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)sc1C CCC[*:1] Cc1sc(cc1[*:1])C(=O)Nc1ccc(F)c(c1)S(=O)(=O)N1CCOCC1
Cc1ccc(Cl)cc1NC(=O)CN1CCN(C2=[NH+]C[C@@H](C)S2)CC1 Cc1ccc(Cl)cc1[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)CC(=O)N[*:1]
CS(=O)(=O)CCCN1CC(=O)N2CCCC[C@@H]2C1=O CS(=O)(=O)[*:1] O=C1[C@H]2CCCCN2C(=O)CN1CCC[*:1]
CS(=O)(=O)CCCN1CC(=O)N2CCCC[C@@H]2C1=O CS(=O)(=O)CC[*:1] O=C1[C@H]2CCCCN2C(=O)CN1C[*:1]
CS(=O)(=O)CCCN1CC(=O)N2CCCC[C@@H]2C1=O CS(=O)(=O)C[*:1] O=C1[C@H]2CCCCN2C(=O)CN1CC[*:1]
O=S(=O)(NCC1CCN(c2cccc[nH+]2)CC1)c1ccccc1Br Brc1ccccc1[*:1] O=S(=O)(NCC1CCN(CC1)c1cccc[nH+]1)[*:1]
CCO[C@@H](C)c1nc(CNc2ccc(C(N)=O)c(F)c2)cs1 NC(=O)[*:1] CCO[C@@H](C)c1nc(cs1)CNc1ccc(c(F)c1)[*:1]
CCO[C@@H](C)c1nc(CNc2ccc(C(N)=O)c(F)c2)cs1 CCO[C@@H](C)[*:1] NC(=O)c1ccc(cc1F)NCc1csc(n1)[*:1]
CCO[C@@H](C)c1nc(CNc2ccc(C(N)=O)c(F)c2)cs1 CCO[*:1] C[C@@H](c1nc(cs1)CNc1ccc(C(N)=O)c(F)c1)[*:1]
C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccnc(c1)O[*:1]
C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 C1C[C@H](CO1)O[*:1] C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccnc(c1)[*:1]
O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 c1cncc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1
O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1cccnc1)C1CCN(CC1)C(=O)[*:1]
O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCc2[nH]ncc2C1 Fc1ccc(cc1)[*:1] O=C(c1c[nH]cc1[*:1])N1CCc2[nH]ncc2C1
CC[C@H](C)C[S@](=O)Cc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] CC[C@H](C)C[S@](=O)Cc1ccc(cc1)[*:1]
CC[C@H](C)C[S@](=O)Cc1ccc(C(=O)N2CCCC2)cc1 CC[C@H](C)[*:1] O=C(c1ccc(cc1)C[S@@](=O)C[*:1])N1CCCC1
C[C@H](CNC(=O)[C@@H](C)Oc1cccc(Br)c1)Cn1cc[nH+]c1 Brc1cccc(c1)[*:1] C[C@H](CNC(=O)[C@@H](C)O[*:1])Cn1cc[nH+]c1
C[C@H](C[C@@H]1NN=C(SCC(=O)C2=NC=CC2)N1N)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](C[C@@H]1NN=C(SCC(=O)C2CC=CN=2)N1N)[*:1]
C[C@H](C[C@@H]1NN=C(SCC(=O)C2=NC=CC2)N1N)c1ccccc1 C[C@H](c1ccccc1)[*:1] NN1C(=NN[C@H]1C[*:1])SCC(=O)C1CC=CN=1
CC1(C)[C@H]2CC[C@]1(C(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)c1nc3ccccc3nc12 O=[N+]([O-])[*:1] CC1(C)[C@H]2CC[C@]1(C(=O)Nc1cc3OCOc3cc1[*:1])c1nc3ccccc3nc12
O[C@@H](c1cccc(F)c1)C(F)(F)F FC(F)(F)[*:1] O[C@@H](c1cccc(F)c1)[*:1]
CCc1noc(CN(C)c2cc[nH+]c(C(=O)NCc3ccccc3)c2)n1 c1ccc(cc1)C[*:1] CCc1noc(CN(C)c2cc[nH+]c(c2)C(=O)N[*:1])n1
CCc1noc(CN(C)c2cc[nH+]c(C(=O)NCc3ccccc3)c2)n1 CCc1noc(n1)[*:1] CN(C[*:1])c1cc[nH+]c(c1)C(=O)NCc1ccccc1
CCc1noc(CN(C)c2cc[nH+]c(C(=O)NCc3ccccc3)c2)n1 CCc1noc(C[*:1])n1 CN(c1cc[nH+]c(c1)C(=O)NCc1ccccc1)[*:1]
CCc1noc(CN(C)c2cc[nH+]c(C(=O)NCc3ccccc3)c2)n1 c1ccc(cc1)[*:1] CCc1noc(CN(C)c2cc[nH+]c(c2)C(=O)NC[*:1])n1
CCc1ccc(-c2ccc(SCc3ccncc3)nn2)cc1 c1cc(ccn1)[*:1] CCc1ccc(cc1)-c1ccc(nn1)SC[*:1]
CCc1ccc(-c2ccc(SCc3ccncc3)nn2)cc1 c1cc(ccn1)C[*:1] CCc1ccc(cc1)-c1ccc(nn1)S[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)C1c3ccccc3Oc3ccccc31)CC2)c1cnccn1 O=C(N[*:1])c1cnccn1 O=C(C1c2ccccc2Oc2ccccc21)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)C1c3ccccc3Oc3ccccc31)CC2)c1cnccn1 c1cnc(cn1)[*:1] O=C(C1c2ccccc2Oc2ccccc21)N1CCc2nc(NC(=O)[*:1])sc2C1
CCn1c(C)cc(C[NH2+]CC(OC)OC)c1C COC(OC)[*:1] CCn1c(C)cc(C[NH2+]C[*:1])c1C
C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 O=[N+]([O-])[*:1] C/C(=N/Nc1ccc(cc1[N+](=O)[O-])[*:1])C1CC1
C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 C1CC1[*:1] CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[*:1]
C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 O=[N+]([O-])[*:1] C/C(=N/Nc1ccc(cc1[*:1])[N+](=O)[O-])C1CC1
CC(C)CCO[C@H]1CCN(C(=O)Nc2cnn(C)c2)C1 CC(C)[*:1] Cn1cc(cn1)NC(=O)N1CC[C@@H](C1)OCC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2cnn(C)c2)C1 CC(C)CC[*:1] Cn1cc(cn1)NC(=O)N1CC[C@@H](C1)O[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2cnn(C)c2)C1 CC(C)CCO[*:1] Cn1cc(cn1)NC(=O)N1CC[C@@H](C1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2cnn(C)c2)C1 Cn1cc(cn1)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)N[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2cnn(C)c2)C1 CC(C)C[*:1] Cn1cc(cn1)NC(=O)N1CC[C@@H](C1)OC[*:1]
COC(=O)c1ccc(/C=N/NC(=O)C2=NN=C(c3ccc(C)s3)C2)cc1 COC(=O)[*:1] Cc1ccc(s1)C1CC(=NN=1)C(=O)N/N=C/c1ccc(cc1)[*:1]
COC(=O)c1ccc(/C=N/NC(=O)C2=NN=C(c3ccc(C)s3)C2)cc1 Cc1ccc(s1)[*:1] COC(=O)c1ccc(/C=N/NC(=O)C2CC(=NN=2)[*:1])cc1
CC[C@H](C)[C@@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1Cl CC[C@H](C)[*:1] C[C@@H](NC(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CC[C@H](C)[C@@H](C)NC(=O)c1cc(ccc1Cl)[*:1]
C[NH2+][C@H](Cc1c(Br)c(C)nn1C)C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] C[NH2+][C@H](Cc1c(Br)c(C)nn1C)C(C)(C)[*:1]
CCCNS(=O)(=O)c1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1OC CCCNS(=O)(=O)[*:1] COc1ccc(cc1[*:1])N1C(=O)[C@H](C)CS1(=O)=O
CCCNS(=O)(=O)c1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1OC CCC[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])N1C(=O)[C@H](C)CS1(=O)=O
CS(=O)(=O)NCCOC(=O)c1cc(C#N)cs1 CS(=O)(=O)N[*:1] N#Cc1csc(c1)C(=O)OCC[*:1]
Cc1nn(C)cc1CN1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)[*:1] Cc1nn(C)cc1CN1CCN(CC1)C(=O)C[*:1]
Cc1nn(C)cc1CN1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)C[*:1] Cc1nn(C)cc1CN1CCN(CC1)C(=O)[*:1]
Cc1nn(C)cc1CN1CCN(C(=O)CC(F)(F)F)CC1 Cc1nn(C)cc1[*:1] O=C(CC(F)(F)F)N1CCN(CC1)C[*:1]
COc1ccc(-c2nc(C)cc(C)c2CNC(=O)c2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-c1nc(C)cc(C)c1CNC(=O)[*:1]
COc1ccc(-c2nc(C)cc(C)c2CNC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 COc1ccc(cc1)-c1nc(C)cc(C)c1C[*:1]
COc1ccc(-c2nc(C)cc(C)c2CNC(=O)c2ccco2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c(CNC(=O)c2ccco2)c(n1)[*:1]
CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 CN(C)C(=O)c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2OCCOc2c1
CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 c1cc2OCCOc2cc1[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 CN(C)C(=O)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O)c1ccc2OCCOc2c1
Nc1cnn(CC(=O)Nc2cc(Cl)ccc2Cl)c1 Nc1cnn(c1)[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1Cl
CC(=O)Nc1ccc(CC(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1 CN(C)C(=O)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)NCc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(CC(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1 CC(=O)N[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)Cc1ccc(cc1)[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 C=CCOc1cccc(c1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](N1[C@H]1CCS(=O)(=O)C1)[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 C=CC[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(c2)O[*:1])N1[C@H]1CCS(=O)(=O)C1
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 C=CCO[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(c2)[*:1])N1[C@H]1CCS(=O)(=O)C1
O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc(C2CC2)n(n1)[*:1])N1CCN(CC1)c1ccccc1
O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCN(c2ccccc2)CC1 C1CC1[*:1] O=C(CSc1nc(n(n1)-c1ccccc1)[*:1])N1CCN(CC1)c1ccccc1
O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc(C2CC2)n(n1)-c1ccccc1)N1CCN(CC1)[*:1]
O=C([O-])c1cnc(Nc2ccccc2)nc1 O=C([O-])[*:1] c1ccc(cc1)Nc1ncc(cn1)[*:1]
NC(=O)c1ccccc1NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] NC(=O)c1ccccc1NC(=O)[C@@H]1COCC(=O)N1[*:1]
NC(=O)c1ccccc1NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] NC(=O)c1ccccc1NC(=O)[C@@H]1COCC(=O)N1C[*:1]
NC(=O)c1ccccc1NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 NC(=O)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1COCC(=O)N1Cc1ccccc1
Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCC3)c(=O)[nH]c12 C1CO[C@H](C1)C[*:1] Cc1cccc2cc(c(=O)[nH]c12)[C@@H](c1nnnn1[*:1])[NH+]1CCCCC1
Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCC3)c(=O)[nH]c12 C1CO[C@H](C1)[*:1] Cc1cccc2cc(c(=O)[nH]c12)[C@@H](c1nnnn1C[*:1])[NH+]1CCCCC1
CCCc1cc(C(=O)N2CCC[NH+](CC(=O)N(CC)CC)CC2)n[nH]1 CCN(CC)C(=O)[*:1] CCCc1cc(n[nH]1)C(=O)N1CCC[NH+](CC1)C[*:1]
CCCc1cc(C(=O)N2CCC[NH+](CC(=O)N(CC)CC)CC2)n[nH]1 CCN(CC)C(=O)C[*:1] CCCc1cc(n[nH]1)C(=O)N1CCC[NH+](CC1)[*:1]
CCCc1cc(C(=O)N2CCC[NH+](CC(=O)N(CC)CC)CC2)n[nH]1 CCC[*:1] CCN(CC)C(=O)C[NH+]1CCCN(CC1)C(=O)c1cc([nH]n1)[*:1]
CCCc1cc(C(=O)N2CCC[NH+](CC(=O)N(CC)CC)CC2)n[nH]1 CCCc1cc(n[nH]1)[*:1] CCN(CC)C(=O)C[NH+]1CCCN(CC1)C(=O)[*:1]
Cc1ncsc1C(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 Cc1ncsc1[*:1] C[C@@H]1CN(C(=O)[*:1])c2cc(Cl)ccc2O1
O=C(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])NC1CC1 FC(F)(F)[*:1] O=C(CNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[*:1])NC1CC1
O=C(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])NC1CC1 O=S(=O)(C(F)(F)F)[*:1] O=C(CNc1ccc(cc1[N+](=O)[O-])[*:1])NC1CC1
O=C(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])NC1CC1 C1CC1[*:1] O=C(CNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)C(F)(F)F)N[*:1]
O=C(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])NC1CC1 O=C(C[*:1])NC1CC1 O=[N+]([O-])c1cc(ccc1N[*:1])S(=O)(=O)C(F)(F)F
O=C(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])NC1CC1 O=C(NC1CC1)[*:1] O=[N+]([O-])c1cc(ccc1NC[*:1])S(=O)(=O)C(F)(F)F
O=C(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])NC1CC1 O=[N+]([O-])[*:1] O=C(CNc1ccc(cc1[*:1])S(=O)(=O)C(F)(F)F)NC1CC1
O=C(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])NC1CC1 O=C(CN[*:1])NC1CC1 O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)C(F)(F)F
C[C@@H]1CCCN2C(=O)CN(c3ccccc3)CC(=O)N12 c1ccc(cc1)[*:1] C[C@@H]1CCCN2C(=O)CN(CC(=O)N12)[*:1]
Cc1noc(CNC(=O)N[C@H](c2ccccn2)C(C)C)n1 c1ccc(nc1)[*:1] Cc1noc(CNC(=O)N[C@H](C(C)C)[*:1])n1
Cc1noc(CNC(=O)N[C@H](c2ccccn2)C(C)C)n1 Cc1noc(C[*:1])n1 CC(C)[C@H](NC(=O)N[*:1])c1ccccn1
Cc1noc(CNC(=O)N[C@H](c2ccccn2)C(C)C)n1 CC(C)[*:1] Cc1noc(CNC(=O)N[C@H](c2ccccn2)[*:1])n1
Cc1noc(CNC(=O)N[C@H](c2ccccn2)C(C)C)n1 Cc1noc(n1)[*:1] CC(C)[C@H](NC(=O)NC[*:1])c1ccccn1
Cc1ccc(N2CCCC2=O)c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 FC(F)(F)[*:1] Cc1ccc(c(c1)C(=O)N1CC[C@@](O)(C1)[*:1])N1CCCC1=O
Cc1ccc(N2CCCC2=O)c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 O=C1CCCN1[*:1] Cc1ccc(c(c1)C(=O)N1CC[C@](O)(C1)C(F)(F)F)[*:1]
CCCN(CC1CC1)C(=O)NCc1ccc([S@](C)=O)cc1 C1CC1C[*:1] CCCN(C(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
CCCN(CC1CC1)C(=O)NCc1ccc([S@](C)=O)cc1 CCC[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)NCc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CCCN(CC1CC1)C(=O)NCc1ccc(cc1)[*:1]
CCCN(CC1CC1)C(=O)NCc1ccc([S@](C)=O)cc1 C1CC1[*:1] CCCN(C[*:1])C(=O)NCc1ccc(cc1)[S@](C)=O
C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc2[nH]c(=O)[nH]c2c1 CS(=O)(=O)[*:1] C[C@@H]([NH2+]C1CCN(CC1)CC[*:1])c1ccc2[nH]c(=O)[nH]c2c1
C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc2[nH]c(=O)[nH]c2c1 CS(=O)(=O)C[*:1] C[C@@H]([NH2+]C1CCN(CC1)C[*:1])c1ccc2[nH]c(=O)[nH]c2c1
C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc2[nH]c(=O)[nH]c2c1 CS(=O)(=O)CC[*:1] C[C@@H]([NH2+]C1CCN(CC1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
COc1cc(C[NH2+]C2CC2)ccc1OCC(=O)NC(N)=O NC(=O)NC(=O)[*:1] COc1cc(ccc1OC[*:1])C[NH2+]C1CC1
COc1cc(C[NH2+]C2CC2)ccc1OCC(=O)NC(N)=O NC(=O)NC(=O)C[*:1] COc1cc(ccc1O[*:1])C[NH2+]C1CC1
C[C@H](CSc1ccccc1)C(=O)NCc1csc(C2CC2)n1 c1ccc(cc1)S[*:1] C[C@H](C[*:1])C(=O)NCc1csc(n1)C1CC1
C[C@H](CSc1ccccc1)C(=O)NCc1csc(C2CC2)n1 c1ccc(cc1)[*:1] C[C@H](CS[*:1])C(=O)NCc1csc(n1)C1CC1
C[C@H](CSc1ccccc1)C(=O)NCc1csc(C2CC2)n1 C1CC1[*:1] C[C@H](CSc1ccccc1)C(=O)NCc1csc(n1)[*:1]
CC(C)(CNC(=O)CCC(F)(F)F)c1ccccc1F FC(F)(F)[*:1] CC(C)(CNC(=O)CC[*:1])c1ccccc1F
CC(C)(CNC(=O)CCC(F)(F)F)c1ccccc1F FC(F)(F)C[*:1] CC(C)(CNC(=O)C[*:1])c1ccccc1F
CC(C)(CNC(=O)CCC(F)(F)F)c1ccccc1F FC(F)(F)CC[*:1] CC(C)(CNC(=O)[*:1])c1ccccc1F
CN(C(=O)C1=Cc2cc(F)ccc2OC1)[C@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)C1=Cc2cc(F)ccc2OC1)[C@H]1CCC[C@H]1[*:1]
C[C@H](CO)CSCc1nnc(-c2cccs2)o1 C[C@H](CO)C[*:1] c1csc(c1)-c1nnc(CS[*:1])o1
C[C@H](CO)CSCc1nnc(-c2cccs2)o1 c1csc(c1)[*:1] C[C@H](CO)CSCc1nnc(o1)[*:1]
C[C@H](CO)CSCc1nnc(-c2cccs2)o1 C[C@H](CO)[*:1] c1csc(c1)-c1nnc(CSC[*:1])o1
CCC(CC)[NH+](CCO)Cc1ccnc2ccccc12 CCC(CC)[*:1] OCC[NH+](Cc1ccnc2ccccc12)[*:1]
O=C(/C=C/c1cccs1)N1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(/C=C/c1cccs1)N1CCC[C@H](C1)c1nc(ncc1[*:1])-c1ccncc1
O=C(/C=C/c1cccs1)N1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 c1cc(ccn1)[*:1] O=C(/C=C/c1cccs1)N1CCC[C@H](C1)c1nc(ncc1-c1ccccc1)[*:1]
O=C(/C=C/c1cccs1)N1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 c1csc(c1)[*:1] O=C(C=C[*:1])N1CCC[C@H](C1)c1nc(ncc1-c1ccccc1)-c1ccncc1
O=C(/C=C/c1cccs1)N1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccccc2)C1 C(=C[*:1])c1cccs1 O=C(N1CCC[C@H](C1)c1nc(ncc1-c1ccccc1)-c1ccncc1)[*:1]
CC(C)NC(=O)CCS(=O)(=O)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(CCS(=O)(=O)c1nc2ccccc2[nH]1)N[*:1]
CC(C)NC(=O)CCS(=O)(=O)c1nc2ccccc2[nH]1 CC(C)NC(=O)[*:1] O=S(=O)(CC[*:1])c1nc2ccccc2[nH]1
CCOC1CCN(C(=O)NCc2cn3c(C)cccc3[nH+]2)CC1 CCO[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N1CCC(CC1)[*:1]
Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] Cc1ccc(C)c(OCC(=O)N[*:1])c1C
CC(=O)c1cc(F)c(C)cc1N(C)CCC(C)C CC(C)CC[*:1] CC(=O)c1cc(F)c(C)cc1N(C)[*:1]
CC(=O)c1cc(F)c(C)cc1N(C)CCC(C)C CC(C)C[*:1] CC(=O)c1cc(F)c(C)cc1N(C)C[*:1]
CC(=O)c1cc(F)c(C)cc1N(C)CCC(C)C CC(C)[*:1] CC(=O)c1cc(F)c(C)cc1N(C)CC[*:1]
CC(=O)c1cc(F)c(C)cc1N(C)CCC(C)C CC(=O)[*:1] Cc1cc(c(cc1F)[*:1])N(C)CCC(C)C
CCOCCCNC(=O)[C@H]1CC(=O)N(CC)C1 CCOCC[*:1] CCN1C[C@H](CC1=O)C(=O)NC[*:1]
CCOCCCNC(=O)[C@H]1CC(=O)N(CC)C1 CCO[*:1] CCN1C[C@H](CC1=O)C(=O)NCCC[*:1]
CCOCCCNC(=O)[C@H]1CC(=O)N(CC)C1 CCOC[*:1] CCN1C[C@H](CC1=O)C(=O)NCC[*:1]
CC[C@@H](NC(=O)N[C@H](C)c1nc(C)cs1)c1ccc(OC)cc1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)N[C@H](C)[*:1])c1ccc(cc1)OC
Cc1ccc(CC(=O)NCc2ccccc2Cn2cccn2)cc1O Cc1ccc(cc1O)[*:1] O=C(C[*:1])NCc1ccccc1Cn1cccn1
Cc1ccc(CC(=O)NCc2ccccc2Cn2cccn2)cc1O c1cnn(c1)[*:1] Cc1ccc(cc1O)CC(=O)NCc1ccccc1C[*:1]
Cc1ccc(CC(=O)NCc2ccccc2Cn2cccn2)cc1O c1cnn(c1)C[*:1] Cc1ccc(cc1O)CC(=O)NCc1ccccc1[*:1]
CS(=O)(=O)Cc1cccc(C(=O)NCC(=O)NC2CC2)c1 CS(=O)(=O)C[*:1] O=C(CNC(=O)c1cccc(c1)[*:1])NC1CC1
CS(=O)(=O)Cc1cccc(C(=O)NCC(=O)NC2CC2)c1 CS(=O)(=O)[*:1] O=C(CNC(=O)c1cccc(c1)C[*:1])NC1CC1
CS(=O)(=O)Cc1cccc(C(=O)NCC(=O)NC2CC2)c1 C1CC1[*:1] CS(=O)(=O)Cc1cccc(c1)C(=O)NCC(=O)N[*:1]
CS(=O)(=O)Cc1cccc(C(=O)NCC(=O)NC2CC2)c1 O=C(C[*:1])NC1CC1 CS(=O)(=O)Cc1cccc(c1)C(=O)N[*:1]
CS(=O)(=O)Cc1cccc(C(=O)NCC(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] CS(=O)(=O)Cc1cccc(c1)C(=O)NC[*:1]
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC[C@H](C1)[*:1]
O=c1c(/C([O-])=N/c2nc(-c3ccc(Cl)cc3)cs2)c[nH]c2cc(F)cc(F)c12 Clc1ccc(cc1)[*:1] O=c1c(c[nH]c2cc(F)cc(F)c12)/C([O-])=N/c1nc(cs1)[*:1]
COc1cccc(Cn2ccc([C@@H](C)O)c2)n1 C[C@@H](O)[*:1] COc1cccc(Cn2ccc(c2)[*:1])n1
Cc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc(cc1)[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1 CC(C)c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CSc1nnnn1[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1 Cc1cccc(C)c1[*:1] CC(C)c1ccc(cc1)-n1nnnc1SCC(=O)N[*:1]
Cc1ccc(/C=C/C(=O)Nc2ccc(Nc3ccccc3)cc2)o1 Cc1ccc(o1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)Nc1ccccc1
Cc1ccc(/C=C/C(=O)Nc2ccc(Nc3ccccc3)cc2)o1 c1ccc(cc1)[*:1] Cc1ccc(/C=C/C(=O)Nc2ccc(cc2)N[*:1])o1
Cc1ccc(/C=C/C(=O)Nc2ccc(Nc3ccccc3)cc2)o1 Cc1ccc(C=C[*:1])o1 O=C(Nc1ccc(cc1)Nc1ccccc1)[*:1]
Cc1ccc(/C=C/C(=O)Nc2ccc(Nc3ccccc3)cc2)o1 c1ccc(cc1)N[*:1] Cc1ccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])o1
CCCN1C(=O)CCc2cc(NC(=O)N(C)[C@H](C)c3ccccc3)ccc21 C[C@H](c1ccccc1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N(C)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N(C)[C@H](C)c3ccccc3)ccc21 c1ccc(cc1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N(C)[C@H](C)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N(C)[C@H](C)c3ccccc3)ccc21 CCC[*:1] C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CC[C@H](CSC)N(C)Cn1cc(Cl)cn1 CSC[*:1] CC[C@H](N(C)Cn1cc(Cl)cn1)[*:1]
CC[C@H](C)C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 CC[C@H](C)[*:1] O=C(NC[C@@H](O)c1cccc(c1)C(F)(F)F)[*:1]
CC[C@H](C)C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](C)C(=O)NC[C@@H](O)c1cccc(c1)[*:1]
C/C=C/C=C/C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 C/C=C/C=C[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)[*:1])c(C)o1
C/C=C/C=C/C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 CC=C[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)C=C[*:1])c(C)o1
C/C=C/C=C/C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 Cc1cc(c(C)o1)[*:1] C/C=C/C=C/C(=O)N1CCN(CC1)C(=O)[*:1]
CC[C@@](C)(NC(=O)CCOC1CCOCC1)c1ccccc1 C1CC(CCO1)[*:1] CC[C@@](C)(NC(=O)CCO[*:1])c1ccccc1
CC[C@@](C)(NC(=O)CCOC1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@](C)(NC(=O)CCOC1CCOCC1)[*:1]
CC[C@@](C)(NC(=O)CCOC1CCOCC1)c1ccccc1 C1CC(CCO1)O[*:1] CC[C@@](C)(NC(=O)CC[*:1])c1ccccc1
CSCc1ccc([N+](=O)[O-])c(NN)c1 CSC[*:1] NNc1cc(ccc1[N+](=O)[O-])[*:1]
CSCc1ccc([N+](=O)[O-])c(NN)c1 O=[N+]([O-])[*:1] CSCc1ccc(c(c1)NN)[*:1]
Cc1nc(Cl)cc(N2CC[C@H](C)C[C@@H]2c2ccco2)n1 c1coc(c1)[*:1] Cc1nc(Cl)cc(n1)N1CC[C@H](C)C[C@H]1[*:1]
Cc1cnccc1CCNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] Cc1cnccc1CCNC(=O)Nc1cnn(c1)[*:1]
Cc1cnccc1CCNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 Cc1cnccc1[*:1] O=C(NCC[*:1])Nc1cnn(c1)C[C@@H]1CCCO1
Cc1cnccc1CCNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1cnccc1CCNC(=O)Nc1cnn(c1)C[*:1]
Cc1cnccc1CCNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 Cc1cnccc1C[*:1] O=C(NC[*:1])Nc1cnn(c1)C[C@@H]1CCCO1
CCOc1ccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)NCc1cn2CCCCc2[nH+]1
O=C(NCc1ncc[nH]1)c1c(O)cccc1Cl c1c[nH]c(n1)[*:1] O=C(NC[*:1])c1c(O)cccc1Cl
C[C@H]1CC[C@@H](C)CN1C(=O)c1cc(C(C)(C)C)on1 CC(C)(C)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)c1cc(on1)[*:1]
O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)NC[*:1]
O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(Cl)nc1 Clc1ccc(cn1)C[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)N[*:1]
CC(=O)c1c[nH]c(C(=O)NCc2cc[nH+]c(N(C)C)c2)c1 CN(C)[*:1] CC(=O)c1c[nH]c(c1)C(=O)NCc1cc[nH+]c(c1)[*:1]
CC(=O)c1c[nH]c(C(=O)NCc2cc[nH+]c(N(C)C)c2)c1 CC(=O)[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)c1cc(c[nH]1)[*:1]
CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])s1 CC(C)(O)[*:1] O=C(N[C@@H](CC1C[NH+]=c2ccccc2=1)C(=O)[O-])c1ccc(C#C[*:1])s1
CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])s1 O=C([O-])[*:1] CC(C)(O)C#Cc1ccc(s1)C(=O)N[C@@H](CC1C[NH+]=c2ccccc2=1)[*:1]
CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])s1 CC(C)(O)C#C[*:1] O=C(N[C@@H](CC1C[NH+]=c2ccccc2=1)C(=O)[O-])c1ccc(s1)[*:1]
C[C@@H](Cc1cccs1)[NH2+][C@@H](C)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Cc1cccs1)[NH2+][C@@H](C)[C@@H](C)[*:1]
C[C@@H](Cc1cccs1)[NH2+][C@@H](C)[C@@H](C)C(=O)[O-] c1csc(c1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H](C)[C@@H](C)C(=O)[O-]
CC(C)N(C(=O)c1csc([N+](=O)[O-])c1)C1CCC1 CC(C)[*:1] O=C(c1csc(c1)[N+](=O)[O-])N(C1CCC1)[*:1]
CC(C)N(C(=O)c1csc([N+](=O)[O-])c1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)c1csc(c1)[N+](=O)[O-])[*:1]
CC(C)N(C(=O)c1csc([N+](=O)[O-])c1)C1CCC1 O=[N+]([O-])[*:1] CC(C)N(C(=O)c1csc(c1)[*:1])C1CCC1
CC(C)(C)OC(=O)NCc1ccccc1[C@@H]1CCC[NH2+]C1 CC(C)(C)[*:1] O=C(NCc1ccccc1[C@@H]1CCC[NH2+]C1)O[*:1]
CCc1nncn1CCNC(=O)N[C@H]1CCN(c2ccccc2F)C1=O CCc1nncn1[*:1] O=C(NCC[*:1])N[C@H]1CCN(C1=O)c1ccccc1F
CCc1nncn1CCNC(=O)N[C@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] CCc1nncn1CCNC(=O)N[C@H]1CCN(C1=O)[*:1]
CCc1nncn1CCNC(=O)N[C@H]1CCN(c2ccccc2F)C1=O CCc1nncn1C[*:1] O=C(NC[*:1])N[C@H]1CCN(C1=O)c1ccccc1F
CN(CC[NH+](C)C1CCCCC1)C(=O)CCc1nc2ccccc2[nH]1 C1CCC(CC1)[*:1] CN(CC[NH+](C)[*:1])C(=O)CCc1nc2ccccc2[nH]1
Cc1cc(C)c(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)c(=O)[nH]1 CC(C)(C)[*:1] Cc1cc(C)c(C(=O)NC[C@H]2CCCCN2C(=O)O[*:1])c(=O)[nH]1
COc1ccccc1COC1CCN(C(=O)/C=C/c2cnc(C)s2)CC1 COc1ccccc1[*:1] Cc1ncc(/C=C/C(=O)N2CCC(CC2)OC[*:1])s1
COc1ccccc1COC1CCN(C(=O)/C=C/c2cnc(C)s2)CC1 Cc1ncc(s1)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)C=C[*:1]
COc1ccccc1COC1CCN(C(=O)/C=C/c2cnc(C)s2)CC1 Cc1ncc(C=C[*:1])s1 COc1ccccc1COC1CCN(CC1)C(=O)[*:1]
ClCc1nc2cc(Br)cnc2n1CC(C1CC1)C1CC1 C1CC1[*:1] ClCc1nc2cc(Br)cnc2n1CC(C1CC1)[*:1]
Cc1ccc(OCCCCN2CC[NH2+]CC2)c(C(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(OCCCCN2CC[NH2+]CC2)c(c1)[*:1]
CC(C)CN1C(=O)[C@@H](C(=O)Nc2nc3ccc(F)cc3s2)[C@H](O)c2ccccc21 CC(C)[*:1] O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1C(=O)N(C[*:1])c2ccccc2[C@H]1O
CC(C)CN1C(=O)[C@@H](C(=O)Nc2nc3ccc(F)cc3s2)[C@H](O)c2ccccc21 CC(C)C[*:1] O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1C(=O)N(c2ccccc2[C@H]1O)[*:1]
CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccccc2C)cc1 CCOc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1[*:1]
CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccccc2C)cc1 CCO[*:1] Cc1ccccc1C(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] CCOc1ccc(cc1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
CC(C)N(C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)C(C)C CC(C)[*:1] CC(C)N(C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)[*:1]
CCn1nc(C)cc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 CCn1nc(C)cc1[*:1] C[NH+](C)CC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCCC[C@@H](C(=O)[O-])[C@@]1(O)CCC[C@H](CC)C1 CCC[*:1] CC[C@H]1CCC[C@@](O)(C1)[C@@H](C[*:1])C(=O)[O-]
CCCC[C@@H](C(=O)[O-])[C@@]1(O)CCC[C@H](CC)C1 CCCC[*:1] CC[C@H]1CCC[C@@](O)(C1)[C@H](C(=O)[O-])[*:1]
CCCC[C@@H](C(=O)[O-])[C@@]1(O)CCC[C@H](CC)C1 O=C([O-])[*:1] CCCC[C@@H]([C@@]1(O)CCC[C@H](CC)C1)[*:1]
CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[S@]1=O O=[N+]([O-])[*:1] CC1(C)CN(CC[S@]1=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
COc1cc(C)ccc1OC(=O)[C@@H](C)n1cccn1 c1cnn(c1)[*:1] COc1cc(C)ccc1OC(=O)[C@@H](C)[*:1]
Cc1ccc(-n2c(SCC(=O)N3CCC3)nnc2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)N1CCC1
Cc1ccc(-n2c(SCC(=O)N3CCC3)nnc2-c2ccc(Cl)cc2)cc1 O=C(C[*:1])N1CCC1 Cc1ccc(cc1)-n1c(nnc1-c1ccc(Cl)cc1)S[*:1]
Cc1ccc(-n2c(SCC(=O)N3CCC3)nnc2-c2ccc(Cl)cc2)cc1 O=C(N1CCC1)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccc(Cl)cc1)SC[*:1]
Cc1ccc(-n2c(SCC(=O)N3CCC3)nnc2-c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccc(Cl)cc2)n1[*:1])N1CCC1
Cc1ccc(-n2c(SCC(=O)N3CCC3)nnc2-c2ccc(Cl)cc2)cc1 O=C(CS[*:1])N1CCC1 Cc1ccc(cc1)-n1c(nnc1[*:1])-c1ccc(Cl)cc1
CC(C)[C@H](C)NC(=O)CNC(=O)c1ccccc1 CC(C)[*:1] C[C@H](NC(=O)CNC(=O)c1ccccc1)[*:1]
CC(C)[C@H](C)NC(=O)CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C)NC(=O)CNC(=O)[*:1]
CC(C)[C@H](C)NC(=O)CNC(=O)c1ccccc1 CC(C)[C@H](C)[*:1] O=C(CNC(=O)c1ccccc1)N[*:1]
O=C(Nc1cccc(C(=O)NC2CC2)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 C1CC1[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])C(=O)N1CC[C@H](C1)[NH+]1CCCC1
O=C(Nc1cccc(C(=O)NC2CC2)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 O=C(NC1CC1)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1CC[C@H](C1)[NH+]1CCCC1
O=C(Cc1cc(F)ccc1F)Nc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] O=C(Cc1cc(F)ccc1F)Nc1ccc(cc1)NC(=O)[*:1]
O=C(Cc1cc(F)ccc1F)Nc1ccc(NC(=O)c2ccco2)cc1 Fc1ccc(F)c(c1)[*:1] O=C(C[*:1])Nc1ccc(cc1)NC(=O)c1ccco1
O=C(Cc1cc(F)ccc1F)Nc1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 O=C(Cc1cc(F)ccc1F)Nc1ccc(cc1)[*:1]
Cc1cc(C)cc(OCCC(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CCO[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
C[C@H](Oc1cccc(F)c1)C(=O)OC[C@H]1CCC(=O)N1 O=C1CC[C@@H](N1)[*:1] C[C@H](Oc1cccc(F)c1)C(=O)OC[*:1]
C=C(C)C[NH+](CC)Cc1noc(C(C)(C)C)n1 C=C(C)[*:1] CC[NH+](Cc1noc(n1)C(C)(C)C)C[*:1]
C=C(C)C[NH+](CC)Cc1noc(C(C)(C)C)n1 C=C(C)C[*:1] CC[NH+](Cc1noc(n1)C(C)(C)C)[*:1]
C=C(C)C[NH+](CC)Cc1noc(C(C)(C)C)n1 CC(C)(C)[*:1] C=C(C)C[NH+](CC)Cc1noc(n1)[*:1]
Cc1ccc(NC(=O)C(=O)NCCOc2cccc(Cl)c2)cc1F Clc1cccc(c1)O[*:1] Cc1ccc(cc1F)NC(=O)C(=O)NCC[*:1]
Cc1ccc(NC(=O)C(=O)NCCOc2cccc(Cl)c2)cc1F Cc1ccc(cc1F)[*:1] O=C(NCCOc1cccc(Cl)c1)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCCOc2cccc(Cl)c2)cc1F Clc1cccc(c1)[*:1] Cc1ccc(cc1F)NC(=O)C(=O)NCCO[*:1]
COc1cc(OC)c(OC)cc1CNC(=O)CC1CCCCC1 C1CCC(CC1)[*:1] COc1cc(OC)c(cc1CNC(=O)C[*:1])OC
COc1cc(OC)c(OC)cc1CNC(=O)CC1CCCCC1 C1CCC(CC1)C[*:1] COc1cc(OC)c(cc1CNC(=O)[*:1])OC
CCc1ccccc1N(C)C(=O)c1cnc(N2CCOCC2)c2ccccc12 C1CN(CCO1)[*:1] CCc1ccccc1N(C)C(=O)c1cnc(c2ccccc12)[*:1]
CCc1ccccc1N(C)C(=O)c1cnc(N2CCOCC2)c2ccccc12 CCc1ccccc1[*:1] CN(C(=O)c1cnc(c2ccccc12)N1CCOCC1)[*:1]
CCOc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)[C@H]1C(C#N)=C(N)S[C@@H]2C(=O)N(C(=O)[C@H]21)c1cccc(c1)[*:1]
CCOc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)cc1 CCO[*:1] N#CC1=C(N)S[C@@H]2C(=O)N(C(=O)[C@H]2[C@H]1c1ccc(cc1)[*:1])c1cccc(c1)C(F)(F)F
CCOc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)cc1 FC(F)(F)c1cccc(c1)[*:1] CCOc1ccc(cc1)[C@H]1C(C#N)=C(N)S[C@@H]2C(=O)N(C(=O)[C@H]21)[*:1]
CCOc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)cc1 CCOc1ccc(cc1)[*:1] N#CC1=C(N)S[C@@H]2C(=O)N(C(=O)[C@H]2[C@H]1[*:1])c1cccc(c1)C(F)(F)F
c1ccc(SCC[C@H]2[NH2+]Cc3ccccc32)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)C[NH2+][C@@H]2CCS[*:1]
O=C(NCCCCOc1ccc(F)cc1)N1CCCCCC1 Fc1ccc(cc1)[*:1] O=C(NCCCCO[*:1])N1CCCCCC1
COc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)no2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc2OCOc2c1)c1cc(on1)[*:1]
C/[NH+]=C(\N)SCc1ccc(OC(F)F)cc1 FC(F)O[*:1] C/[NH+]=C(\N)SCc1ccc(cc1)[*:1]
C/[NH+]=C(\N)SCc1ccc(OC(F)F)cc1 FC(F)[*:1] C/[NH+]=C(\N)SCc1ccc(cc1)O[*:1]
O=C(NNc1ccc(F)cc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 O=C(Nc1ccccc1)[*:1] O=C(NNc1ccc(F)cc1)Nc1ccc(cc1)[*:1]
O=C(NNc1ccc(F)cc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NNc1ccc(F)cc1)Nc1ccc(cc1)C(=O)N[*:1]
O=C(NNc1ccc(F)cc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 Fc1ccc(cc1)[*:1] O=C(NN[*:1])Nc1ccc(cc1)C(=O)Nc1ccccc1
COc1ccccc1[C@@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@H]1C(=O)[O-] O=C([O-])[*:1] COc1ccccc1[C@@H]1CN(C[C@@H]1[*:1])C(=O)CCc1cc(Cl)no1
COc1ccccc1[C@@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@H]1C(=O)[O-] Clc1cc(C[*:1])on1 COc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)C[*:1]
COc1ccccc1[C@@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@H]1C(=O)[O-] Clc1cc(CC[*:1])on1 COc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)[*:1]
COc1ccccc1[C@@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@H]1C(=O)[O-] Clc1cc(on1)[*:1] COc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)CC[*:1]
COc1ccccc1[C@@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@H]1C(=O)[O-] COc1ccccc1[*:1] O=C([O-])[C@@H]1CN(C[C@H]1[*:1])C(=O)CCc1cc(Cl)no1
CC(=O)N1CCC[C@@H](c2cccc(-c3cccnc3)n2)C1 c1cncc(c1)[*:1] CC(=O)N1CCC[C@H](C1)c1cccc(n1)[*:1]
O=C(NC1(c2ccccc2)CCC1)c1ccc2c([O-])[nH]c(=S)nc2c1 c1ccc(cc1)[*:1] O=C(NC1(CCC1)[*:1])c1ccc2c([O-])[nH]c(=S)nc2c1
Cc1cc(C)c(S(=O)(=O)N2CC[NH+](C/C([O-])=N/c3nnc(-c4ccccc4C)s3)CC2)cc1C Cc1ccccc1[*:1] Cc1cc(C)c(cc1C)S(=O)(=O)N1CC[NH+](CC1)C/C([O-])=N/c1nnc(s1)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CC[NH+](C/C([O-])=N/c3nnc(-c4ccccc4C)s3)CC2)cc1C Cc1cc(C)c(cc1C)[*:1] Cc1ccccc1-c1nnc(/N=C(\[O-])C[NH+]2CCN(CC2)S(=O)(=O)[*:1])s1
CC(C)NC(=O)c1ccc(NCc2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])c1 CS(=O)(=O)[*:1] CC(C)NC(=O)c1ccc(NCc2ccc(cc2)[*:1])c(c1)[N+](=O)[O-]
CC(C)NC(=O)c1ccc(NCc2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])c1 CC(C)NC(=O)[*:1] CS(=O)(=O)c1ccc(cc1)CNc1ccc(cc1[N+](=O)[O-])[*:1]
CC(C)NC(=O)c1ccc(NCc2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)NC(=O)c1ccc(NCc2ccc(cc2)S(C)(=O)=O)c(c1)[*:1]
CC(C)NC(=O)c1ccc(NCc2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])c1 CC(C)[*:1] CS(=O)(=O)c1ccc(cc1)CNc1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
COc1cc(-c2n[nH]c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc(OC)c1OC c1csc(c1)[*:1] COc1cc(cc(OC)c1OC)-c1n[nH]c2OC(N)=C(C#N)[C@@H](c12)[*:1]
CC(C)Cn1ccnc(NCCc2n[nH]c(-c3ccco3)n2)c1=O CC(C)[*:1] O=c1c(nccn1C[*:1])NCCc1n[nH]c(n1)-c1ccco1
CC(C)Cn1ccnc(NCCc2n[nH]c(-c3ccco3)n2)c1=O c1coc(c1)[*:1] CC(C)Cn1ccnc(NCCc2n[nH]c(n2)[*:1])c1=O
CC(C)Cn1ccnc(NCCc2n[nH]c(-c3ccco3)n2)c1=O CC(C)C[*:1] O=c1c(nccn1[*:1])NCCc1n[nH]c(n1)-c1ccco1
F[C@@H](Cl)C(F)(F)OCCCl ClCC[*:1] F[C@@H](Cl)C(F)(F)O[*:1]
F[C@@H](Cl)C(F)(F)OCCCl F[C@@H](Cl)[*:1] FC(F)(OCCCl)[*:1]
CSc1ccc(CNC(=O)COc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CSc1ccc(cc1)CNC(=O)CO[*:1]
COc1ccccc1[C@@H]1CN(C(=O)c2cccs2)C[C@H]1C(=O)N1CCOCC1 c1csc(c1)[*:1] COc1ccccc1[C@@H]1CN(C[C@H]1C(=O)N1CCOCC1)C(=O)[*:1]
COc1ccccc1[C@@H]1CN(C(=O)c2cccs2)C[C@H]1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] COc1ccccc1[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cccs1
COc1ccccc1[C@@H]1CN(C(=O)c2cccs2)C[C@H]1C(=O)N1CCOCC1 COc1ccccc1[*:1] O=C(c1cccs1)N1C[C@@H](C(=O)N2CCOCC2)[C@@H](C1)[*:1]
Cc1cccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)c1 Cc1cccc(c1)[*:1] O=C(CCCO[*:1])Nc1ccc2OCCOc2c1
Cc1cccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)c1 Cc1cccc(c1)O[*:1] O=C(CCC[*:1])Nc1ccc2OCCOc2c1
CO[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CO[C@@H]1CCCN(C1)C(=O)[C@H](C)NC(=O)O[*:1]
O=C1O[C@@H](C(=O)Nc2ccc(CN3CCOCC3)cc2)Cc2ccccc21 C1CN(CCO1)[*:1] O=C1O[C@H](Cc2ccccc21)C(=O)Nc1ccc(cc1)C[*:1]
O=C1O[C@@H](C(=O)Nc2ccc(CN3CCOCC3)cc2)Cc2ccccc21 C1CN(CCO1)C[*:1] O=C1O[C@H](Cc2ccccc21)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(C)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 Cc1cccc(C)c1[*:1] O=C(N[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCCCC1
Cc1cccc(C)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] Cc1cccc(C)c1NC(=O)c1ccc(F)c(c1)[*:1]
C[C@@H](/C=N/NC(=O)c1c[nH]c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](/C=N/NC(=O)c1c[nH]c2ccccc12)[*:1]
N#C[C@H]1CN(C(=O)c2csc(/C=C/C(=O)[O-])c2)CCO1 O=C([O-])[*:1] N#C[C@H]1CN(CCO1)C(=O)c1csc(C=C[*:1])c1
N#C[C@H]1CN(C(=O)c2csc(/C=C/C(=O)[O-])c2)CCO1 O=C([O-])C=C[*:1] N#C[C@H]1CN(CCO1)C(=O)c1csc(c1)[*:1]
O=C(C[C@@H]1NC(=O)NC1=O)NC1(c2ccc(F)cc2F)CCCCC1 Fc1ccc(c(F)c1)[*:1] O=C(C[C@@H]1NC(=O)NC1=O)NC1(CCCCC1)[*:1]
COc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 Brc1cccc(c1)[*:1] COc1ccccc1NC(=O)c1ccc(CO[*:1])o1
COc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 COc1ccccc1[*:1] O=C(N[*:1])c1ccc(COc2cccc(Br)c2)o1
COc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 Brc1cccc(c1)O[*:1] COc1ccccc1NC(=O)c1ccc(C[*:1])o1
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC2(CCCCCC2)C1 O=[N+]([O-])[*:1] Cc1nc(cn1CCC(=O)N1CCCC2(CCCCCC2)C1)[*:1]
Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1F N#Cc1cccnc1[*:1] Cc1ccc(cc1F)NC(=O)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1F Cc1ccc(cc1F)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)N[*:1]
C[C@H](CNC(=O)c1ccc(-n2ccnn2)cc1)N1CCc2ccccc21 c1cn(nn1)[*:1] C[C@H](CNC(=O)c1ccc(cc1)[*:1])N1CCc2ccccc21
O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1C[*:1]
O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1Cc1ccccc1 Clc1ccc(cc1)[*:1] O=C1[C@H]2ON([C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1Cc1ccccc1)[*:1]
O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1[*:1]
O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1Cc1ccccc1 Fc1ccc(cc1)[*:1] O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H]([C@@H]2C(=O)N1Cc1ccccc1)[*:1]
NC(=O)CN1C(=O)[C@@]2(SCC(=O)N2c2cccc(F)c2)c2ccccc21 NC(=O)[*:1] O=C1CS[C@@]2(C(=O)N(C[*:1])c3ccccc32)N1c1cccc(F)c1
NC(=O)CN1C(=O)[C@@]2(SCC(=O)N2c2cccc(F)c2)c2ccccc21 NC(=O)C[*:1] O=C1CS[C@@]2(C(=O)N(c3ccccc32)[*:1])N1c1cccc(F)c1
NC(=O)CN1C(=O)[C@@]2(SCC(=O)N2c2cccc(F)c2)c2ccccc21 Fc1cccc(c1)[*:1] NC(=O)CN1C(=O)[C@@]2(SCC(=O)N2[*:1])c2ccccc21
CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1c(C)cccc1C CC[C@H](C)NC(=O)[*:1] Cc1cccc(C)c1OCC(=O)Nc1ccccc1[*:1]
CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1c(C)cccc1C Cc1cccc(C)c1[*:1] CC[C@H](C)NC(=O)c1ccccc1NC(=O)CO[*:1]
CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1c(C)cccc1C CC[C@H](C)[*:1] Cc1cccc(C)c1OCC(=O)Nc1ccccc1C(=O)N[*:1]
CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(C3CC3)on2)cc1 c1c(noc1C1CC1)[*:1] CN(C(=O)OC(C)(C)C)c1ccc(cc1)OC(=O)[*:1]
CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(C3CC3)on2)cc1 CC(C)(C)[*:1] CN(C(=O)O[*:1])c1ccc(cc1)OC(=O)c1cc(on1)C1CC1
CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(C3CC3)on2)cc1 C1CC1[*:1] CN(C(=O)OC(C)(C)C)c1ccc(cc1)OC(=O)c1cc(on1)[*:1]
C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)c2C1 NC(=O)c1ccc(cc1)[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N[*:1])c2C1
C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)c2C1 NC(=O)[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(cc3)[*:1])c2C1
CN(Cc1ccccc1-c1ccccc1)C(=O)c1sccc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] CN(Cc1ccccc1-c1ccccc1)C(=O)c1sccc1[*:1]
CN(Cc1ccccc1-c1ccccc1)C(=O)c1sccc1S(=O)(=O)N1CCCCC1 c1ccc(cc1)[*:1] CN(Cc1ccccc1[*:1])C(=O)c1sccc1S(=O)(=O)N1CCCCC1
C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCCCC[C@@H]2C[C@@H](C)O)[C@@H]1C C[C@@H](O)[*:1] C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCCCC[C@@H]2C[*:1])[C@@H]1C
C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCCCC[C@@H]2C[C@@H](C)O)[C@@H]1C C[C@@H](O)C[*:1] C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCCCC[C@H]2[*:1])[C@@H]1C
C[C@@H](CO)NC(=O)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F c1cnn(c1)[*:1] C[C@@H](CO)NC(=O)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
C[C@@H](CO)NC(=O)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](CO)NC(=O)C(=O)Nc1ccc(cc1[*:1])-n1cccn1
Cc1nc2cc(NC(=O)C(=O)NCC3(c4ccccc4)CCC3)ccc2o1 c1ccc(cc1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NCC1(CCC1)[*:1]
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N[C@@H]2CCCC[C@H]2C)[C@H]1c1cccs1 CC(C)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1c2ccccc2C(=O)N(C[*:1])[C@@H]1c1cccs1
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N[C@@H]2CCCC[C@H]2C)[C@H]1c1cccs1 c1csc(c1)[*:1] CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N[C@@H]2CCCC[C@H]2C)[C@@H]1[*:1]
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N[C@@H]2CCCC[C@H]2C)[C@H]1c1cccs1 CC(C)C[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1c2ccccc2C(=O)N([C@@H]1c1cccs1)[*:1]
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N[C@@H]2CCCC[C@H]2C)[C@H]1c1cccs1 C[C@@H]1CCCC[C@H]1[*:1] CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N[*:1])[C@H]1c1cccs1
CC(=O)Nc1ccc2nc(NC(=O)C3(c4ccc(Br)cc4)CC3)sc2c1 Brc1ccc(cc1)[*:1] CC(=O)Nc1ccc2nc(NC(=O)C3(CC3)[*:1])sc2c1
CC(=O)Nc1ccc2nc(NC(=O)C3(c4ccc(Br)cc4)CC3)sc2c1 CC(=O)N[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])C1(CC1)c1ccc(Br)cc1
Cc1c(O)ccc2c(COC(=O)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc12 CS(=O)(=O)[*:1] Cc1c(O)ccc2c(cc(=O)oc12)COC(=O)c1ccc(cc1)[*:1]
CCn1c(Sc2ccc([N+](=O)[O-])cc2Cl)nnc1N1CCOCC1 C1CN(CCO1)[*:1] CCn1c(nnc1[*:1])Sc1ccc(cc1Cl)[N+](=O)[O-]
CCn1c(Sc2ccc([N+](=O)[O-])cc2Cl)nnc1N1CCOCC1 O=[N+]([O-])[*:1] CCn1c(nnc1N1CCOCC1)Sc1ccc(cc1Cl)[*:1]
C=CCOc1ccc(CN2CCO[C@@H](C)[C@H]2C)cc1 C=CCO[*:1] C[C@@H]1OCCN(Cc2ccc(cc2)[*:1])[C@@H]1C
C=CCOc1ccc(CN2CCO[C@@H](C)[C@H]2C)cc1 C=CC[*:1] C[C@@H]1OCCN(Cc2ccc(cc2)O[*:1])[C@@H]1C
CC(C)NC(=O)C[C@@H](C)NC(=O)c1c[nH]c2cccc(F)c12 CC(C)NC(=O)C[*:1] C[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)[*:1]
CC(C)NC(=O)C[C@@H](C)NC(=O)c1c[nH]c2cccc(F)c12 CC(C)NC(=O)[*:1] C[C@H](C[*:1])NC(=O)c1c[nH]c2cccc(F)c12
CC(C)NC(=O)C[C@@H](C)NC(=O)c1c[nH]c2cccc(F)c12 CC(C)[*:1] C[C@H](CC(=O)N[*:1])NC(=O)c1c[nH]c2cccc(F)c12
C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc(C)c(C)c2)c1=O Cc1ccc(cc1C)[*:1] C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)[*:1])c1=O
C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc(C)c(C)c2)c1=O C=CC[*:1] C=CCn1c(=O)n(CC(=O)c2ccc(C)c(C)c2)c(=O)n(c1=O)[*:1]
O=C(Cc1ccccc1Cl)Nc1ccc(N2CCCS2(=O)=O)cc1 Clc1ccccc1[*:1] O=C(C[*:1])Nc1ccc(cc1)N1CCCS1(=O)=O
O=C(Cc1ccccc1Cl)Nc1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] O=C(Cc1ccccc1Cl)Nc1ccc(cc1)[*:1]
O=C(Cc1ccccc1Cl)Nc1ccc(N2CCCS2(=O)=O)cc1 Clc1ccccc1C[*:1] O=C(Nc1ccc(cc1)N1CCCS1(=O)=O)[*:1]
Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccccc3Cl)C2)n1 Clc1ccccc1[*:1] Cc1cc(C)nc(n1)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccccc3Cl)C2)n1 Cc1cc(C)nc(n1)[*:1] O=C(Nc1ccccc1Cl)[C@H]1CCCN(C1)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CC[C@H](C)[C@H](O)C1 Clc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1C(=O)N1CC[C@H](C)[C@H](O)C1
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CC[C@H](C)[C@H](O)C1 Clc1ccccc1C[*:1] Cc1nn(c(C)c1C(=O)N1CC[C@H](C)[C@H](O)C1)[*:1]
CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1Cl CSC[*:1] C[C@](O)(CNC(=O)C(=O)Nc1ccccc1Cl)[*:1]
Cc1ccc([C@@H]2CCCN2C(=O)CCCc2cc(F)ccc2F)o1 Fc1ccc(F)c(c1)[*:1] Cc1ccc(o1)[C@@H]1CCCN1C(=O)CCC[*:1]
Cc1ccc([C@@H]2CCCN2C(=O)CCCc2cc(F)ccc2F)o1 Cc1ccc(o1)[*:1] O=C(CCCc1cc(F)ccc1F)N1CCC[C@H]1[*:1]
Cc1nn(C(C)(C)C)cc1[C@H](C)NC[C@H]1C[NH+]2CCN1CC2 CC(C)(C)[*:1] Cc1nn(cc1[C@H](C)NC[C@H]1C[NH+]2CCN1CC2)[*:1]
CS[C@@H]1CC[C@H](NC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)C1 CC(=O)[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1]
C[NH+](C)Cc1noc([C@@H]2CCC[C@@H]2[NH3+])n1 C[NH+](C)C[*:1] [NH3+][C@H]1CCC[C@H]1c1nc(no1)[*:1]
CC(C)CC(=O)NCC#CCOc1ccc2c(c1)OCO2 CC(C)C[*:1] O=C(NCC#CCOc1ccc2OCOc2c1)[*:1]
CC(C)CC(=O)NCC#CCOc1ccc2c(c1)OCO2 CC(C)CC(=O)N[*:1] C(#CC[*:1])COc1ccc2OCOc2c1
CC(C)CC(=O)NCC#CCOc1ccc2c(c1)OCO2 CC(C)[*:1] O=C(C[*:1])NCC#CCOc1ccc2OCOc2c1
COc1ccc(Nc2n[nH]c(NC(=O)COc3ccc(Cl)cc3)c2C#N)cc1 COc1ccc(cc1)[*:1] N#Cc1c(n[nH]c1NC(=O)COc1ccc(Cl)cc1)N[*:1]
COc1ccc(Nc2n[nH]c(NC(=O)COc3ccc(Cl)cc3)c2C#N)cc1 Clc1ccc(cc1)O[*:1] COc1ccc(cc1)Nc1n[nH]c(NC(=O)C[*:1])c1C#N
COc1ccc(Nc2n[nH]c(NC(=O)COc3ccc(Cl)cc3)c2C#N)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)Nc1n[nH]c(NC(=O)CO[*:1])c1C#N
COc1ccc(Nc2n[nH]c(NC(=O)COc3ccc(Cl)cc3)c2C#N)cc1 COc1ccc(cc1)N[*:1] N#Cc1c(n[nH]c1NC(=O)COc1ccc(Cl)cc1)[*:1]
COc1ccc(Nc2n[nH]c(NC(=O)COc3ccc(Cl)cc3)c2C#N)cc1 Clc1ccc(cc1)OC[*:1] COc1ccc(cc1)Nc1n[nH]c(NC(=O)[*:1])c1C#N
CC(C)CCNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O c1ccc(cc1)C[*:1] CC(C)CCNC(=O)c1cc2C(=O)N(CCCn2n1)[*:1]
CC(C)CCNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O CC(C)C[*:1] O=C(NC[*:1])c1cc2C(=O)N(CCCn2n1)Cc1ccccc1
CC(C)CCNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O CC(C)CC[*:1] O=C(N[*:1])c1cc2C(=O)N(CCCn2n1)Cc1ccccc1
CC(C)CCNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O CC(C)CCNC(=O)[*:1] O=C1c2cc(nn2CCCN1Cc1ccccc1)[*:1]
CC(C)CCNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O CC(C)[*:1] O=C(NCC[*:1])c1cc2C(=O)N(CCCn2n1)Cc1ccccc1
CC(C)CCNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O c1ccc(cc1)[*:1] CC(C)CCNC(=O)c1cc2C(=O)N(CCCn2n1)C[*:1]
COc1ccc2c(c1)OC[C@H](Cc1ccc(C(=O)N3CCOCC3)cn1)C2 O=C(N1CCOCC1)[*:1] COc1ccc2C[C@H](COc2c1)Cc1ccc(cn1)[*:1]
CCOC(=O)[C@H](C)N1CC[C@H](S(=O)(=O)NC2CC2)C1 C1CC1[*:1] CCOC(=O)[C@H](C)N1CC[C@@H](C1)S(=O)(=O)N[*:1]
CCOC(=O)[C@H](C)N1CC[C@H](S(=O)(=O)NC2CC2)C1 CCOC(=O)[*:1] C[C@H](N1CC[C@@H](C1)S(=O)(=O)NC1CC1)[*:1]
CC(C)c1nc(CN(C)C(=O)CN2C[C@@H]3CC[C@H](CC2=O)[NH2+]3)cs1 CC(C)c1nc(cs1)[*:1] CN(C[*:1])C(=O)CN1C[C@@H]2CC[C@H](CC1=O)[NH2+]2
CC(C)c1nc(CN(C)C(=O)CN2C[C@@H]3CC[C@H](CC2=O)[NH2+]3)cs1 CC(C)[*:1] CN(Cc1csc(n1)[*:1])C(=O)CN1C[C@@H]2CC[C@H](CC1=O)[NH2+]2
COC[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] COC[C@H](C)N[*:1] NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
COC[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] COC[C@H](C)[*:1] NC(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
COC[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC[C@H](C)Nc1ccc(cc1[*:1])C(N)=O
COC[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] COC[*:1] C[C@H](Nc1ccc(cc1[N+](=O)[O-])C(N)=O)[*:1]
COC[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] NC(=O)[*:1] COC[C@H](C)Nc1ccc(cc1[N+](=O)[O-])[*:1]
COc1ccc(OC)c(/C([O-])=N/S(=O)(=O)CC(C)(C)C)c1 CC(C)(C)C[*:1] COc1ccc(OC)c(c1)/C([O-])=N/S(=O)(=O)[*:1]
COc1ccc(OC)c(/C([O-])=N/S(=O)(=O)CC(C)(C)C)c1 CC(C)(C)[*:1] COc1ccc(OC)c(c1)/C([O-])=N/S(=O)(=O)C[*:1]
COC(=O)CN(C1CC1)S(=O)(=O)c1cccc(C#N)c1 COC(=O)C[*:1] N#Cc1cccc(c1)S(=O)(=O)N(C1CC1)[*:1]
COC(=O)CN(C1CC1)S(=O)(=O)c1cccc(C#N)c1 COC(=O)[*:1] N#Cc1cccc(c1)S(=O)(=O)N(C[*:1])C1CC1
COC(=O)CN(C1CC1)S(=O)(=O)c1cccc(C#N)c1 C1CC1[*:1] COC(=O)CN(S(=O)(=O)c1cccc(C#N)c1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)CCc2ccc(OC)cc2)C1 CCOC(=O)[*:1] COc1ccc(cc1)CCC(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)c1 Cc1c(Cl)cccc1[*:1] Cc1ccc(N[C@@H]2CC(=O)N(C2=O)[*:1])c(C)c1
Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1c(Cl)cccc1N1C(=O)C[C@@H](N[*:1])C1=O
CSC[C@H](C)N(C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 CSC[C@H](C)[*:1] CN(C(=O)Nc1ccc(Cl)c(c1)C[S@](C)=O)[*:1]
CSC[C@H](C)N(C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 C[S@](=O)[*:1] CSC[C@H](C)N(C)C(=O)Nc1ccc(Cl)c(c1)C[*:1]
CSC[C@H](C)N(C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 CSC[*:1] C[C@H](N(C)C(=O)Nc1ccc(Cl)c(c1)C[S@](C)=O)[*:1]
CSC[C@H](C)N(C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 C[S@](=O)C[*:1] CSC[C@H](C)N(C)C(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1ccccc1NCc1cn(C)nc1-c1ccncc1 c1cc(ccn1)[*:1] COc1ccccc1NCc1cn(C)nc1[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)CCc1cccs1 c1csc(c1)[*:1] CCNC(=O)c1ccc(Cl)cc1NC(=O)CC[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)CCc1cccs1 CCNC(=O)[*:1] O=C(CCc1cccs1)Nc1cc(Cl)ccc1[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)CCc1cccs1 c1csc(c1)CC[*:1] CCNC(=O)c1ccc(Cl)cc1NC(=O)[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)CCc1cccs1 c1csc(c1)C[*:1] CCNC(=O)c1ccc(Cl)cc1NC(=O)C[*:1]
COc1cc(CNC(=O)NCCNC(C)=O)c2ccccc2n1 CC(=O)NCC[*:1] COc1cc(CNC(=O)N[*:1])c2ccccc2n1
COc1cc(CNC(=O)NCCNC(C)=O)c2ccccc2n1 CC(=O)N[*:1] COc1cc(CNC(=O)NCC[*:1])c2ccccc2n1
COc1cc(CNC(=O)NCCNC(C)=O)c2ccccc2n1 CC(=O)NC[*:1] COc1cc(CNC(=O)NC[*:1])c2ccccc2n1
Cc1cnc(CCNCc2cccc([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] Cc1cnc(CCNCc2cccc(c2)[*:1])s1
Cc1cnc(CCNCc2cccc([N+](=O)[O-])c2)s1 Cc1cnc(s1)[*:1] O=[N+]([O-])c1cccc(c1)CNCC[*:1]
C=C(C)[C@@H]1CC[C@H](C)[NH2+][C@@H]1c1ccccc1 C=C(C)[*:1] C[C@H]1CC[C@H]([C@H]([NH2+]1)c1ccccc1)[*:1]
CCn1c(N2CCC[C@H](C(=O)Nc3cccc(Cl)c3)C2)cc(=O)n(C)c1=O Clc1cccc(c1)[*:1] CCn1c(cc(=O)n(C)c1=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COc1cccc(OCC(=O)Nc2ccc(-c3nncn3C)cc2)c1 Cn1cnnc1[*:1] COc1cccc(c1)OCC(=O)Nc1ccc(cc1)[*:1]
COc1cccc(OCC(=O)Nc2ccc(-c3nncn3C)cc2)c1 COc1cccc(c1)[*:1] Cn1cnnc1-c1ccc(cc1)NC(=O)CO[*:1]
COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])C1(CC(C)C)CCCC1 CC(C)[*:1] COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])C1(CCCC1)C[*:1]
COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])C1(CC(C)C)CCCC1 CC(C)C[*:1] COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])C1(CCCC1)[*:1]
CC(C)([C@H](Cl)Cc1ccc(F)c(F)c1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)([C@H](Cl)Cc1ccc(F)c(F)c1)[*:1]
COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] COc1ccc(OC)c(c1)[C@H](C)NC(=O)[*:1]
CC(C)c1ocnc1CN(CC1CCC1)CC(F)(F)F FC(F)(F)C[*:1] CC(C)c1ocnc1CN(CC1CCC1)[*:1]
CC(C)c1ocnc1CN(CC1CCC1)CC(F)(F)F C1CC(C1)C[*:1] CC(C)c1ocnc1CN(CC(F)(F)F)[*:1]
CC(C)c1ocnc1CN(CC1CCC1)CC(F)(F)F FC(F)(F)[*:1] CC(C)c1ocnc1CN(CC1CCC1)C[*:1]
CC(C)c1ocnc1CN(CC1CCC1)CC(F)(F)F C1CC(C1)[*:1] CC(C)c1ocnc1CN(CC(F)(F)F)C[*:1]
CC(C)c1ocnc1CN(CC1CCC1)CC(F)(F)F CC(C)[*:1] FC(F)(F)CN(Cc1ncoc1[*:1])CC1CCC1
CC(C)c1cc(C(N)=O)c(NC(=O)[C@@H]2CCCO2)s1 CC(C)[*:1] NC(=O)c1cc(sc1NC(=O)[C@@H]1CCCO1)[*:1]
CC(C)c1cc(C(N)=O)c(NC(=O)[C@@H]2CCCO2)s1 NC(=O)[*:1] CC(C)c1cc(c(NC(=O)[C@@H]2CCCO2)s1)[*:1]
CC(C)c1cc(C(N)=O)c(NC(=O)[C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CC(C)c1cc(C(N)=O)c(NC(=O)[*:1])s1
CN(Cc1nccn1C(F)F)C(=O)NCC1(C)Cc2ccccc2C1 FC(F)n1ccnc1[*:1] CN(C[*:1])C(=O)NCC1(C)Cc2ccccc2C1
CN(Cc1nccn1C(F)F)C(=O)NCC1(C)Cc2ccccc2C1 FC(F)[*:1] CN(Cc1nccn1[*:1])C(=O)NCC1(C)Cc2ccccc2C1
O=C(c1ccccn1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCCN2[C@]12C(=O)Nc1ccc(F)cc12 O=C(c1ccccn1)[*:1] O=C1Nc2ccc(F)cc2[C@]12[C@H]([C@@H](c1ccc(Cl)cc1)[C@H]1CCCN12)[*:1]
O=C(c1ccccn1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCCN2[C@]12C(=O)Nc1ccc(F)cc12 Clc1ccc(cc1)[*:1] O=C(c1ccccn1)[C@H]1[C@@H]([C@H]2CCCN2[C@]12C(=O)Nc1ccc(F)cc12)[*:1]
O=C(c1ccccn1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCCN2[C@]12C(=O)Nc1ccc(F)cc12 c1ccc(nc1)[*:1] O=C1Nc2ccc(F)cc2[C@]12[C@@H](C(=O)[*:1])[C@@H](c1ccc(Cl)cc1)[C@H]1CCCN12
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1cc2ccccc2o1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)CC2)cc1 c1ccc2oc(cc2c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc(cs1)[*:1]
C[C@@H]1c2ccccc2O[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] C[C@@H]1c2ccccc2O[C@H]1C(=O)NNC(=O)[*:1]
CS[C@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O Cc1cc(n(C)n1)[*:1] CS[C@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C1=O)[*:1]
CC(C)[C@@H](CO)NC(=O)NCCNC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](CO)NC(=O)NCCNC(=O)[*:1]
CC(C)[C@@H](CO)NC(=O)NCCNC(=O)c1ccc(F)cc1 CC(C)[*:1] O=C(NCCNC(=O)c1ccc(F)cc1)N[C@H](CO)[*:1]
Cc1c(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)[nH]c2c1C(=O)CCC2 Fc1ccc(F)c(c1)[*:1] Cc1c([nH]c2CCCC(=O)c21)C(=O)Nc1ccc2nc([nH]c2c1)[*:1]
O=C(CCc1nc2ccccc2s1)NCC(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCc1nc2ccccc2s1)NCC(=O)N[*:1]
CNS(=O)(=O)c1cc(NC(=O)C2CCN(C(C)=O)CC2)ccc1C CNS(=O)(=O)[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(c1)[*:1]
O=C(Nc1ccccc1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 O=C(N1CCCC1)[*:1] O=C(Nc1ccccc1)C(=O)c1cn(C[*:1])c2ccccc12
O=C(Nc1ccccc1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 O=C(C[*:1])N1CCCC1 O=C(Nc1ccccc1)C(=O)c1cn(c2ccccc12)[*:1]
O=C(Nc1ccccc1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 c1ccc(cc1)[*:1] O=C(N[*:1])C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
Cc1nc(C(=O)[O-])c(-c2ccccc2F)s1 O=C([O-])[*:1] Cc1nc(c(s1)-c1ccccc1F)[*:1]
Nc1nc(Cl)cc(Nc2cnn(C[C@H]3CCCO3)c2)n1 C1CO[C@H](C1)[*:1] Nc1nc(Cl)cc(n1)Nc1cnn(c1)C[*:1]
Nc1nc(Cl)cc(Nc2cnn(C[C@H]3CCCO3)c2)n1 C1CO[C@H](C1)C[*:1] Nc1nc(Cl)cc(n1)Nc1cnn(c1)[*:1]
Cc1c(F)cccc1NC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 Cc1c(F)cccc1[*:1] O=C(N[*:1])N1CCC[NH+](CC1)Cc1ccc(F)cc1
Cc1c(F)cccc1NC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] Cc1c(F)cccc1NC(=O)N1CCC[NH+](CC1)[*:1]
Cc1c(F)cccc1NC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)N1CCC[NH+](CC1)C[*:1]
Cc1ccsc1C(=O)OCC(=O)NCc1ccc(C(F)(F)F)cc1 Cc1ccsc1[*:1] O=C(COC(=O)[*:1])NCc1ccc(cc1)C(F)(F)F
Cc1ccsc1C(=O)OCC(=O)NCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccsc1C(=O)OCC(=O)NCc1ccc(cc1)[*:1]
CC1=C/C(=N\Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC(C)(C)C1 O=[N+]([O-])[*:1] CC1=C/C(CC(C)(C)C1)=N\Nc1ccc(cc1[*:1])S(N)(=O)=O
CC1=C/C(=N\Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC(C)(C)C1 NS(=O)(=O)[*:1] CC1=C/C(CC(C)(C)C1)=N\Nc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)NC(=S)Nc2ccccc2Br)cc1I Brc1ccccc1[*:1] Cc1ccc(cc1I)C(=O)NC(=S)N[*:1]
Cc1ccc(C(=O)NCC(=O)Nc2cn[nH]c2)cc1Br c1n[nH]cc1[*:1] Cc1ccc(cc1Br)C(=O)NCC(=O)N[*:1]
CCOc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1 CCO[*:1] O=C(Cn1nc2CCCCCn2c1=O)Nc1ccc(cc1)[*:1]
C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1 Fc1ccc(cc1)CC[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1ccccc1
C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1 Fc1ccc(cc1)C[*:1] C[C@H](C(=O)NC[*:1])N1CCN(CC1)C(=O)c1ccccc1
C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)NCC[*:1])N1CCN(CC1)C(=O)c1ccccc1
CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2ncccn2)CC1 CC(C)(C)[*:1] [NH3+]CC1(CCN(CC1)C(=O)O[*:1])c1ncccn1
CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2ncccn2)CC1 c1cnc(nc1)[*:1] CC(C)(C)OC(=O)N1CCC(C[NH3+])(CC1)[*:1]
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H](O)C2)c1 C=C(C)CO[*:1] O=C(NC[C@@H]1CCC[C@H](O)C1)C(=O)Nc1cccc(c1)[*:1]
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H](O)C2)c1 C=C(C)C[*:1] O=C(NC[C@@H]1CCC[C@H](O)C1)C(=O)Nc1cccc(c1)O[*:1]
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H](O)C2)c1 C=C(C)[*:1] O=C(NC[C@@H]1CCC[C@H](O)C1)C(=O)Nc1cccc(c1)OC[*:1]
O=C(COc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 Clc1ccc(cc1Cl)[*:1] O=C(CO[*:1])N1CCC[C@@H]1c1ccc2OCCCOc2c1
O=C(COc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 Clc1ccc(cc1Cl)O[*:1] O=C(C[*:1])N1CCC[C@@H]1c1ccc2OCCCOc2c1
Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)C3([NH3+])CC3)C2)CC1 Cc1ccccc1[*:1] [NH3+]C1(CC1)C(=O)N1CCC[C@H](C1)N1CCN(CC1)[*:1]
COCCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc2sc(C)c(C)c2c1=O COCC[*:1] Cc1sc2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n(c(=O)c2c1C)[*:1]
COCCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc2sc(C)c(C)c2c1=O COC[*:1] Cc1sc2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n(C[*:1])c(=O)c2c1C
CCCN(C(=O)CNC(C)=O)C1CCC([NH3+])CC1 CC(=O)NC[*:1] CCCN(C(=O)[*:1])C1CCC([NH3+])CC1
CCCN(C(=O)CNC(C)=O)C1CCC([NH3+])CC1 CCC[*:1] CC(=O)NCC(=O)N(C1CCC([NH3+])CC1)[*:1]
CCCN(C(=O)CNC(C)=O)C1CCC([NH3+])CC1 CC(=O)N[*:1] CCCN(C(=O)C[*:1])C1CCC([NH3+])CC1
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccc3ccccc3c2)c2ccc(Cl)cc21 c1ccc2cc(ccc2c1)[*:1] CC(=O)C[C@@]1(O)C(=O)N(CCCO[*:1])c2ccc(Cl)cc21
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccc3ccccc3c2)c2ccc(Cl)cc21 CC(=O)C[*:1] O=C1N(CCCOc2ccc3ccccc3c2)c2ccc(Cl)cc2[C@]1(O)[*:1]
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccc3ccccc3c2)c2ccc(Cl)cc21 CC(=O)[*:1] O=C1N(CCCOc2ccc3ccccc3c2)c2ccc(Cl)cc2[C@@]1(O)C[*:1]
CC(C)CN1C(=O)NC(=N)C12CCOCC2 CC(C)C[*:1] N=C1NC(=O)N(C12CCOCC2)[*:1]
CC(C)CN1C(=O)NC(=N)C12CCOCC2 CC(C)[*:1] N=C1NC(=O)N(C[*:1])C12CCOCC2
COc1cccc(C(=O)COC(=O)c2cc(C(C)=O)c[nH]2)c1 CC(=O)[*:1] COc1cccc(c1)C(=O)COC(=O)c1cc(c[nH]1)[*:1]
Cn1c(C2CC2)nc2cc(NC(=O)COc3ccc(F)cc3F)ccc21 Fc1ccc(c(F)c1)[*:1] Cn1c(nc2cc(ccc21)NC(=O)CO[*:1])C1CC1
Cn1c(C2CC2)nc2cc(NC(=O)COc3ccc(F)cc3F)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)COc1ccc(F)cc1F)[*:1]
C[C@H](N[C@@H](Cc1ccccc1)C1CC1)c1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] C[C@H](N[C@@H](Cc1ccccc1)C1CC1)[*:1]
C[C@H](N[C@@H](Cc1ccccc1)C1CC1)c1ccnc(Cl)c1 C1CC1[*:1] C[C@H](N[C@@H](Cc1ccccc1)[*:1])c1ccnc(Cl)c1
C[C@H](N[C@@H](Cc1ccccc1)C1CC1)c1ccnc(Cl)c1 c1ccc(cc1)C[*:1] C[C@H](N[C@@H](C1CC1)[*:1])c1ccnc(Cl)c1
C[C@H](N[C@@H](Cc1ccccc1)C1CC1)c1ccnc(Cl)c1 c1ccc(cc1)[*:1] C[C@H](N[C@@H](C[*:1])C1CC1)c1ccnc(Cl)c1
Cc1ccc(C(C)(C)C)cc1[S@@](=O)Cc1cn2ccccc2n1 CC(C)(C)[*:1] Cc1ccc(cc1[S@@](=O)Cc1cn2ccccc2n1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1C C1CCn2c(C1)nnc2[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1C COc1ccc(cc1C)[*:1] O=S(=O)(Nc1ccc(cc1)-c1nnc2CCCCn21)[*:1]
C[C@H]1OCC[C@H]1C(=O)N(C)CCCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)N(C)CCCO[*:1]
CC[C@@H](NC(=O)NC1(C)Cc2ccccc2C1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@@H](NC(=O)NC1(C)Cc2ccccc2C1)[*:1]
CC[NH2+][C@@H]([C@@H]1CCOC1)[C@@H]1CCOC2(CCCCC2)C1 C1C[C@H](CO1)[*:1] CC[NH2+][C@@H]([C@@H]1CCOC2(CCCCC2)C1)[*:1]
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@H]1CCOC1 C[C@@H](C#N)C[*:1] CN(C[C@H]1CCOC1)C(=O)Nc1ccccc1S[*:1]
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@H]1CCOC1 C[C@@H](C#N)[*:1] CN(C[C@H]1CCOC1)C(=O)Nc1ccccc1SC[*:1]
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@H]1CCOC1 C[C@@H](C#N)CS[*:1] CN(C[C@H]1CCOC1)C(=O)Nc1ccccc1[*:1]
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C[*:1]
C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@H]1CCOC1 C1C[C@@H](CO1)C[*:1] C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)[*:1]
CCOC(=O)C1=C(C)NC2=NC(SCc3ccccc3)=NC(=O)[C@H]2[C@@H]1c1ccc(F)cc1 c1ccc(cc1)C[*:1] CCOC(=O)C1=C(C)NC2=NC(=NC(=O)[C@H]2[C@@H]1c1ccc(F)cc1)S[*:1]
CCOC(=O)C1=C(C)NC2=NC(SCc3ccccc3)=NC(=O)[C@H]2[C@@H]1c1ccc(F)cc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)NC2=NC(=NC(=O)[C@H]2[C@@H]1c1ccc(F)cc1)SC[*:1]
CCOC(=O)C1=C(C)NC2=NC(SCc3ccccc3)=NC(=O)[C@H]2[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)NC2=NC(=NC(=O)[C@H]2[C@H]1[*:1])SCc1ccccc1
CCOC(=O)C1=C(C)NC2=NC(SCc3ccccc3)=NC(=O)[C@H]2[C@@H]1c1ccc(F)cc1 CCOC(=O)[*:1] CC1NC2=NC(=NC(=O)[C@H]2[C@@H](C=1[*:1])c1ccc(F)cc1)SCc1ccccc1
Cc1cccc(OCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])NN=Cc1cccc(c1)[N+](=O)[O-]
Cc1cccc(OCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)OCC(=O)NN=Cc1cccc(c1)[*:1]
Cc1ccc(Oc2nccn3c(=O)n(CC(=O)N4CCN(c5ccccc5F)CC4)nc23)cc1 Cc1ccc(cc1)O[*:1] O=C(Cn1nc2c(nccn2c1=O)[*:1])N1CCN(CC1)c1ccccc1F
Cc1ccc(Oc2nccn3c(=O)n(CC(=O)N4CCN(c5ccccc5F)CC4)nc23)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1nc2c(nccn2c1=O)O[*:1])N1CCN(CC1)c1ccccc1F
Cc1ccc(Oc2nccn3c(=O)n(CC(=O)N4CCN(c5ccccc5F)CC4)nc23)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)Oc1nccn2c(=O)n(CC(=O)N3CCN(CC3)[*:1])nc12
O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] O=C(NCc1ccc(cc1)Oc1ccccc1)c1ccc(cc1)[*:1]
O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCOC2=O)cc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)O[*:1])c1ccc(cc1)N1CCOC1=O
O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCOC2=O)cc1 c1ccc(cc1)O[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(cc1)N1CCOC1=O
CCCN(C)C(=O)c1n[nH]c2ccc(N)cc12 CCC[*:1] CN(C(=O)c1n[nH]c2ccc(N)cc12)[*:1]
CCC[C@H]1CCC[C@](O)(Cc2[nH+]ccn2CC)CC1 CCC[*:1] CCn1cc[nH+]c1C[C@@]1(O)CCC[C@@H](CC1)[*:1]
CCOc1cccc([C@H]([NH2+]C)[C@H](C)OC)c1 CO[C@@H](C)[*:1] CCOc1cccc(c1)[C@H]([NH2+]C)[*:1]
CCOc1cccc([C@H]([NH2+]C)[C@H](C)OC)c1 CCO[*:1] C[NH2+][C@@H](c1cccc(c1)[*:1])[C@H](C)OC
CCO[C@@H](C)c1noc(CN2CCN(C(C)=O)CC2)n1 CCO[C@@H](C)[*:1] CC(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
CCO[C@@H](C)c1noc(CN2CCN(C(C)=O)CC2)n1 CCO[*:1] CC(=O)N1CCN(CC1)Cc1nc(no1)[C@H](C)[*:1]
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(Cl)cc1 COC[*:1] C[C@@H](OC(=O)/C(C#N)=C/c1ccc(Cl)cc1)[*:1]
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(Cl)cc1 COC[C@@H](C)[*:1] N#C/C(=C\c1ccc(Cl)cc1)C(=O)O[*:1]
CCC[NH2+]C/C=C/c1c[nH+]cn1CCC CCC[NH2+][*:1] CCCn1c[nH+]cc1/C=C/C[*:1]
CCC[NH2+]C/C=C/c1c[nH+]cn1CCC CCC[NH2+]C[*:1] CCCn1c[nH+]cc1C=C[*:1]
CCC[NH2+]C/C=C/c1c[nH+]cn1CCC CCC[*:1] CCCn1c[nH+]cc1/C=C/C[NH2+][*:1]
CCC[NH2+]C/C=C/c1c[nH+]cn1CCC CCC[*:1] CCC[NH2+]C/C=C/c1c[nH+]cn1[*:1]
COc1cc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])CN1CCS(=O)(=O)[C@H](C)[C@@H]1C
COc1cc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])CN1CCS(=O)(=O)[C@H](C)[C@@H]1C
Cc1ccccc1[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2F)CCO1 Cc1ccccc1[*:1] O=C(Nc1ccc(F)cc1F)C(=O)N1CCO[C@H](C1)[*:1]
Cc1ccccc1[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2F)CCO1 Fc1ccc(c(F)c1)[*:1] Cc1ccccc1[C@H]1CN(CCO1)C(=O)C(=O)N[*:1]
Cc1ccc2nc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)sc2c1 CC(C)(C)[*:1] Cc1ccc2nc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)O[*:1])sc2c1
CC[C@@H](c1ccccc1)[S@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 O=[N+]([O-])[*:1] CC[C@@H](c1ccccc1)[S@](=O)Cc1cc(cc2COCOc21)[*:1]
CC[C@@H](c1ccccc1)[S@](=O)Cc1cc([N+](=O)[O-])cc2c1OCOC2 c1ccc(cc1)[*:1] CC[C@@H]([S@](=O)Cc1cc(cc2COCOc21)[N+](=O)[O-])[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])c1sc([C@@H](C)OC)nc1C CO[C@H](C)[*:1] CCC(CC)S(=O)(=O)/N=C(\[O-])c1sc(nc1C)[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])c1sc([C@@H](C)OC)nc1C CCC(CC)[*:1] CO[C@H](C)c1nc(C)c(s1)/C([O-])=N/S(=O)(=O)[*:1]
COc1ccc(C[S@@](=O)CC2CCOCC2)cc1Br C1CC(CCO1)[*:1] COc1ccc(cc1Br)C[S@@](=O)C[*:1]
C[C@@](O)(CNC(=O)c1cn(-c2ccccc2)nn1)CN1CCOCC1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)c1cn(nn1)[*:1])CN1CCOCC1
C[C@@](O)(CNC(=O)c1cn(-c2ccccc2)nn1)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@](O)(CNC(=O)c1cn(nn1)-c1ccccc1)[*:1]
C[C@@](O)(CNC(=O)c1cn(-c2ccccc2)nn1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@](O)(CNC(=O)c1cn(nn1)-c1ccccc1)C[*:1]
Cc1ccc(CCCC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)s1 Cc1ccc(s1)[*:1] O=C(CCC[*:1])NC[C@H]1CCO[C@H]1c1ccccc1
Cc1ccc(CCCC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(CCCC(=O)NC[C@H]2CCO[C@@H]2[*:1])s1
Cc1ccc(CCCC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)s1 Cc1ccc(CC[*:1])s1 O=C(C[*:1])NC[C@H]1CCO[C@H]1c1ccccc1
Cc1ccc(CCCC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)s1 Cc1ccc(C[*:1])s1 O=C(CC[*:1])NC[C@H]1CCO[C@H]1c1ccccc1
Cc1ccc(C(=O)NC(Nc2c(C)n(C)n(-c3ccccc3)c2=O)(C(F)(F)F)C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] Cc1c(NC(NC(=O)[*:1])(C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C
Cc1ccc(C(=O)NC(Nc2c(C)n(C)n(-c3ccccc3)c2=O)(C(F)(F)F)C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(=O)NC(Nc1c(C)n(C)n(-c2ccccc2)c1=O)(C(F)(F)F)[*:1]
Cc1ccc(C(=O)NC(Nc2c(C)n(C)n(-c3ccccc3)c2=O)(C(F)(F)F)C(F)(F)F)cc1 Cc1ccc(cc1)C(=O)N[*:1] Cc1c(NC(C(F)(F)F)(C(F)(F)F)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1ccc(C(=O)NC(Nc2c(C)n(C)n(-c3ccccc3)c2=O)(C(F)(F)F)C(F)(F)F)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NC(Nc1c(C)n(C)n(c1=O)[*:1])(C(F)(F)F)C(F)(F)F
C[C@H]1CCC[C@@H](NC(=O)C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)[C@@H]1C NS(=O)(=O)[*:1] C[C@H]1CCC[C@@H](NC(=O)C[NH2+]CCc2ccc(cc2)[*:1])[C@@H]1C
CC1=N[C@H]2C(C(=O)N3CCC(N4c5[nH+]cccc5N[C@@H]4C4CCC4)CC3)=CC=CC2=C1C C1CC(C1)[*:1] CC1=N[C@H]2C(=CC=CC2=C1C)C(=O)N1CCC(CC1)N1c2[nH+]cccc2N[C@H]1[*:1]
O=C(Nc1nc2cc(NC(=O)C3CC3)ccc2s1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2sc(nc2c1)NC(=O)[*:1])C1CC1
O=C(Nc1nc2cc(NC(=O)C3CC3)ccc2s1)c1ccccc1 C1CC1[*:1] O=C(Nc1nc2cc(ccc2s1)NC(=O)[*:1])c1ccccc1
O=C(Nc1nc2cc(NC(=O)C3CC3)ccc2s1)c1ccccc1 O=C(N[*:1])C1CC1 O=C(Nc1nc2cc(ccc2s1)[*:1])c1ccccc1
[NH3+][C@H](c1ccc(F)c(Br)c1)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] [NH3+][C@H](c1ccc(F)c(Br)c1)[*:1]
Cc1cc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)oc1C Cc1cc(oc1C)[*:1] CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](C1)[NH2+]C[*:1]
Cc1cc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)oc1C Fc1ccc(cc1)[*:1] Cc1cc(C[NH2+][C@H]2CC(C)(C)Cc3c2cnn3[*:1])oc1C
Cc1cc2nc(C(C)C)cc(N[C@@H](c3nc(C4CC4)no3)C(C)C)n2n1 CC(C)[*:1] Cc1cc2nc(cc(N[C@@H](c3nc(no3)C3CC3)C(C)C)n2n1)[*:1]
Cc1cc2nc(C(C)C)cc(N[C@@H](c3nc(C4CC4)no3)C(C)C)n2n1 C1CC1c1noc(n1)[*:1] Cc1cc2nc(cc(N[C@@H](C(C)C)[*:1])n2n1)C(C)C
Cc1cc2nc(C(C)C)cc(N[C@@H](c3nc(C4CC4)no3)C(C)C)n2n1 CC(C)[*:1] Cc1cc2nc(cc(N[C@@H](c3nc(no3)C3CC3)[*:1])n2n1)C(C)C
Cc1cc2nc(C(C)C)cc(N[C@@H](c3nc(C4CC4)no3)C(C)C)n2n1 C1CC1[*:1] Cc1cc2nc(cc(N[C@@H](c3nc(no3)[*:1])C(C)C)n2n1)C(C)C
Cc1nn(C)c(C)c1CNC(=O)c1ccc2c(c1)N(C)C(=O)[C@@H]1CCCCN21 Cc1nn(C)c(C)c1[*:1] CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)C(=O)NC[*:1]
Cc1nn(C)c(C)c1CNC(=O)c1ccc2c(c1)N(C)C(=O)[C@@H]1CCCCN21 Cc1nn(C)c(C)c1C[*:1] CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)C(=O)N[*:1]
CCCNC(=O)CNC(=O)c1csnn1 CCC[*:1] O=C(CNC(=O)c1csnn1)N[*:1]
CCCNC(=O)CNC(=O)c1csnn1 c1snnc1[*:1] CCCNC(=O)CNC(=O)[*:1]
CCC[NH2+][C@H](Cc1cccc(F)c1)Cc1nccs1 c1csc(n1)[*:1] CCC[NH2+][C@H](Cc1cccc(F)c1)C[*:1]
CCC[NH2+][C@H](Cc1cccc(F)c1)Cc1nccs1 c1csc(C[*:1])n1 CCC[NH2+][C@H](Cc1cccc(F)c1)[*:1]
CCC[NH2+][C@H](Cc1cccc(F)c1)Cc1nccs1 CCC[*:1] Fc1cccc(c1)C[C@H](Cc1nccs1)[NH2+][*:1]
O=C(NCCn1cc[nH+]c1)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F FC(F)(F)[*:1] O=C(NCCn1cc[nH+]c1)Nc1ccc(cc1[*:1])NC(=O)c1ccccc1
O=C(NCCn1cc[nH+]c1)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F c1ccc(cc1)[*:1] O=C(NCCn1cc[nH+]c1)Nc1ccc(cc1C(F)(F)F)NC(=O)[*:1]
O=C(NCCn1cc[nH+]c1)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F O=C(N[*:1])c1ccccc1 O=C(NCCn1cc[nH+]c1)Nc1ccc(cc1C(F)(F)F)[*:1]
O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)N(C[*:1])C(=O)c1ccco1)Nc1ccccc1
O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=C(c1ccco1)N(Cc1ccccc1)c1ccc(cc1)[*:1]
O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)Nc1ccccc1 c1coc(c1)[*:1] O=C(Cc1ccc(cc1)N(Cc1ccccc1)C(=O)[*:1])Nc1ccccc1
O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccco1)N[*:1]
O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(c1ccco1)N(Cc1ccccc1)c1ccc(cc1)C[*:1]
O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)Nc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1ccc(cc1)N(C(=O)c1ccco1)[*:1])Nc1ccccc1
Cc1ccccc1[C@H]1C(=O)NC(=O)C[C@@H]1C1CC1 C1CC1[*:1] Cc1ccccc1[C@H]1C(=O)NC(=O)C[C@H]1[*:1]
Cc1ccc(NC(=O)NCc2cccnc2)cc1C c1cncc(c1)[*:1] Cc1ccc(cc1C)NC(=O)NC[*:1]
Cc1ncoc1C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ncoc1C(=O)N1CCC(CC1)n1nccc1NC(=O)CCC[*:1]
Cc1ncoc1C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] Cc1ncoc1C(=O)N1CCC(CC1)n1nccc1NC(=O)C[*:1]
Cc1ncoc1C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 c1ccc(cc1)CCC[*:1] Cc1ncoc1C(=O)N1CCC(CC1)n1nccc1NC(=O)[*:1]
Cc1ncoc1C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 Cc1ncoc1[*:1] O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(CC1)C(=O)[*:1]
Cc1ncoc1C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1ncoc1C(=O)N1CCC(CC1)n1nccc1NC(=O)CC[*:1]
COCc1ccc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)o1 Cc1nc(oc1C)[*:1] COCc1ccc(C[NH+]2CCN(CC2)C[*:1])o1
COCc1ccc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)o1 COC[*:1] Cc1nc(CN2CC[NH+](CC2)Cc2ccc(o2)[*:1])oc1C
N#Cc1ccc(NC(=O)C[NH+](CC(=O)Nc2ccc(C#N)cc2)C2CCCCC2)cc1 N#Cc1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)C[NH+](CC(=O)N[*:1])C1CCCCC1
CCO[C@H](C)c1noc(COc2ccc(C#N)cc2C)n1 CCO[*:1] Cc1cc(C#N)ccc1OCc1nc(no1)[C@@H](C)[*:1]
CCO[C@H](C)c1noc(COc2ccc(C#N)cc2C)n1 CCO[C@H](C)[*:1] Cc1cc(C#N)ccc1OCc1nc(no1)[*:1]
Fc1ccc(-n2cc(C[NH+]3C[C@@H]4CCC[C@H]4C3)cn2)cc1 Fc1ccc(cc1)[*:1] c1nn(cc1C[NH+]1C[C@@H]2CCC[C@H]2C1)[*:1]
CN(C)C(=O)c1cc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)ccc1F c1ccc(cc1)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)N[C@@H]1C[C@@H]1[*:1]
CN(C)C(=O)c1cc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)ccc1F CN(C)C(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])N[C@@H]1C[C@H]1c1ccccc1
O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccc(Cl)c1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc2nn(nc2c1)[*:1])c1cccc(Cl)c1
O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nc1ccc2nn(nc2c1)-c1ccc(F)cc1)[*:1]
C[C@H](CNc1nn2cc(-c3ccc(F)cc3)nc2s1)Cn1cc[nH+]c1 Fc1ccc(cc1)[*:1] C[C@H](CNc1nn2cc(nc2s1)[*:1])Cn1cc[nH+]c1
C[C@@H](Cc1nc2ccc(N)nc2[nH]1)C(C)(C)C CC(C)(C)[*:1] C[C@@H](Cc1nc2ccc(N)nc2[nH]1)[*:1]
COCCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nc2ccccc21 Clc1ccc(nc1)[*:1] COCCn1c(nc2ccccc21)S[C@H](C)C(=O)N[*:1]
COCCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nc2ccccc21 COC[*:1] C[C@@H](Sc1nc2ccccc2n1C[*:1])C(=O)Nc1ccc(Cl)cn1
COCCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nc2ccccc21 COCC[*:1] C[C@@H](Sc1nc2ccccc2n1[*:1])C(=O)Nc1ccc(Cl)cn1
COc1ccc2nc(N(CCN3CCOCC3)C(=O)/C=C/c3ccccc3)sc2c1 c1ccc(cc1)[*:1] COc1ccc2nc(sc2c1)N(CCN1CCOCC1)C(=O)C=C[*:1]
COc1ccc2nc(N(CCN3CCOCC3)C(=O)/C=C/c3ccccc3)sc2c1 C(=C[*:1])c1ccccc1 COc1ccc2nc(sc2c1)N(CCN1CCOCC1)C(=O)[*:1]
COc1ccc2nc(N(CCN3CCOCC3)C(=O)/C=C/c3ccccc3)sc2c1 C1CN(CCO1)C[*:1] COc1ccc2nc(sc2c1)N(C[*:1])C(=O)/C=C/c1ccccc1
COc1ccc2nc(N(CCN3CCOCC3)C(=O)/C=C/c3ccccc3)sc2c1 C1CN(CCO1)CC[*:1] COc1ccc2nc(sc2c1)N(C(=O)/C=C/c1ccccc1)[*:1]
COc1ccc2nc(N(CCN3CCOCC3)C(=O)/C=C/c3ccccc3)sc2c1 C1CN(CCO1)[*:1] COc1ccc2nc(sc2c1)N(CC[*:1])C(=O)/C=C/c1ccccc1
S=C1N=N[C@@H](COc2ccccc2)N1/N=C/c1cccc(Br)c1 Brc1cccc(c1)[*:1] S=C1N=N[C@@H](COc2ccccc2)N1N=C[*:1]
S=C1N=N[C@@H](COc2ccccc2)N1/N=C/c1cccc(Br)c1 c1ccc(cc1)[*:1] S=C1N=N[C@@H](CO[*:1])N1/N=C/c1cccc(Br)c1
S=C1N=N[C@@H](COc2ccccc2)N1/N=C/c1cccc(Br)c1 c1ccc(cc1)O[*:1] S=C1N=N[C@@H](C[*:1])N1/N=C/c1cccc(Br)c1
CCCn1c(C[NH+](C)Cc2nc(C)cs2)nc2ccccc21 Cc1csc(n1)[*:1] CCCn1c(C[NH+](C)C[*:1])nc2ccccc21
CCCn1c(C[NH+](C)Cc2nc(C)cs2)nc2ccccc21 CCC[*:1] Cc1csc(C[NH+](C)Cc2nc3ccccc3n2[*:1])n1
CCCn1c(C[NH+](C)Cc2nc(C)cs2)nc2ccccc21 Cc1csc(C[*:1])n1 CCCn1c(C[NH+](C)[*:1])nc2ccccc21
O=C([O-])Cn1cccc1C(=O)N1CCC2(CCCC2)CC1 O=C([O-])[*:1] O=C(c1cccn1C[*:1])N1CCC2(CCCC2)CC1
O=C([O-])Cn1cccc1C(=O)N1CCC2(CCCC2)CC1 O=C([O-])C[*:1] O=C(c1cccn1[*:1])N1CCC2(CCCC2)CC1
Cc1noc(CCNC(=O)N[C@@H]2CCC[C@H]2CO)n1 Cc1noc(n1)[*:1] O=C(NCC[*:1])N[C@@H]1CCC[C@H]1CO
C=CCN(Cc1cccs1)C(=O)N[C@@H](C)C(=O)N1CCCCC1 c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)N[C@@H](C)C(=O)N1CCCCC1
C=CCN(Cc1cccs1)C(=O)N[C@@H](C)C(=O)N1CCCCC1 C=CC[*:1] C[C@H](NC(=O)N(Cc1cccs1)[*:1])C(=O)N1CCCCC1
C=CCN(Cc1cccs1)C(=O)N[C@@H](C)C(=O)N1CCCCC1 c1csc(c1)C[*:1] C=CCN(C(=O)N[C@@H](C)C(=O)N1CCCCC1)[*:1]
COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)cn1 CC(C)[*:1] COc1ccc(cn1)NC(=O)[C@H](NS(=O)(=O)c1ccc2OCCCOc2c1)[*:1]
COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)cn1 COc1ccc(cn1)[*:1] CC(C)[C@@H](NS(=O)(=O)c1ccc2OCCCOc2c1)C(=O)N[*:1]
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1F C[C@@H](c1ccccc1F)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NCc1ccco1
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1F c1coc(c1)C[*:1] C[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1])c1ccccc1F
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1F Fc1ccccc1[*:1] C[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccco1)[*:1]
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1F c1coc(c1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)NC[*:1])c1ccccc1F
COc1cc(C)c(S(=O)(=O)NC(C2CC2)C2CC2)cc1OC C1CC1C(C1CC1)[*:1] COc1cc(C)c(cc1OC)S(=O)(=O)N[*:1]
COc1cc(C)c(S(=O)(=O)NC(C2CC2)C2CC2)cc1OC C1CC1[*:1] COc1cc(C)c(cc1OC)S(=O)(=O)NC(C1CC1)[*:1]
CCOc1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1 CCO[*:1] CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(c1)[*:1]
CCOc1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1 CS(=O)(=O)N[*:1] CCOc1cccc(c1)NC(=O)c1ccccc1[*:1]
O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N[C@@H]1CCCC[C@@H]1CO O=C(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CCCC[C@@H]1CO
CN(C)c1ncnc2c1CCN(C(=O)[C@H](O)c1cccc(Cl)c1)C2 CN(C)[*:1] O=C([C@H](O)c1cccc(Cl)c1)N1CCc2c(C1)ncnc2[*:1]
CN(C)c1ncnc2c1CCN(C(=O)[C@H](O)c1cccc(Cl)c1)C2 Clc1cccc(c1)[*:1] CN(C)c1ncnc2CN(CCc21)C(=O)[C@H](O)[*:1]
CCOC(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 O=[N+]([O-])[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1sc2cc(ccc2c1Cl)[*:1]
CCn1ccc(C(=O)N[C@@H](C)c2cnn(-c3ccc(OC)cc3)c2C)n1 COc1ccc(cc1)[*:1] CCn1ccc(n1)C(=O)N[C@@H](C)c1cnn(c1C)[*:1]
CCn1ccc(C(=O)N[C@@H](C)c2cnn(-c3ccc(OC)cc3)c2C)n1 CCn1ccc(n1)[*:1] COc1ccc(cc1)-n1ncc(c1C)[C@H](C)NC(=O)[*:1]
COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)c(OC)c1 Fc1ccc(cc1)[*:1] COc1ccc(NC(=O)Cc2csc(n2)NC(=O)[*:1])c(c1)OC
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N[C@H]1C[C@H]1[*:1]
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1 CC(C)(C)C[*:1] O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CSCN1C(=O)[*:1]
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1 CC(C)(C)[*:1] O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CSCN1C(=O)C[*:1]
COc1ccccc1NCC(=O)NNC(=O)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] COc1ccccc1NCC(=O)NNC(=O)[*:1]
CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(I)cc1 Ic1ccc(cc1)[*:1] CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)[*:1]
CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(I)cc1 Clc1ccc(Cl)c(c1)[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccc(I)cc1
Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)[nH+]2)cc1 c1ccc2c(c[nH]c2c1)[*:1] Cc1ccc(cc1)-c1c[nH]c([nH+]1)[C@@H]1COCCN1C[*:1]
Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)[nH+]2)cc1 Cc1ccc(cc1)[*:1] c1ccc2c(c[nH]c2c1)CN1CCOC[C@H]1c1[nH]cc([nH+]1)[*:1]
O=S(=O)(c1ccc(CNc2ncccc2F)s1)N1CCOCC1 Fc1cccnc1[*:1] O=S(=O)(c1ccc(CN[*:1])s1)N1CCOCC1
Cc1cc(C)c(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)c(C)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(CCNC(=O)Cn2cnc(n2)[*:1])c(C)c1
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(CC(=O)NCc2ccco2)C1=O Fc1ccc(c(F)c1)[*:1] C[C@]1(NC(=O)N(CC(=O)NCc2ccco2)C1=O)[*:1]
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(CC(=O)NCc2ccco2)C1=O c1coc(c1)C[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(F)cc1F
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(CC(=O)NCc2ccco2)C1=O c1coc(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1ccc(F)cc1F
CCOC(=O)C1=C(C)N/C(=C/c2ccncc2)C1=O c1cc(ccn1)[*:1] CCOC(=O)C1C(=O)C(=C[*:1])NC=1C
CCOC(=O)C1=C(C)N/C(=C/c2ccncc2)C1=O CCOC(=O)[*:1] CC1N/C(=C/c2ccncc2)C(=O)C=1[*:1]
O=C([O-])[C@@H](NC[C@@H]1CCCO1)c1c[nH+]cn1C1CC1 C1CC1[*:1] O=C([O-])[C@@H](NC[C@@H]1CCCO1)c1c[nH+]cn1[*:1]
O=C([O-])[C@@H](NC[C@@H]1CCCO1)c1c[nH+]cn1C1CC1 C1CO[C@@H](C1)[*:1] O=C([O-])[C@@H](NC[*:1])c1c[nH+]cn1C1CC1
O=C([O-])[C@@H](NC[C@@H]1CCCO1)c1c[nH+]cn1C1CC1 O=C([O-])[*:1] c1[nH+]cn(c1[C@H](NC[C@@H]1CCCO1)[*:1])C1CC1
O=C([O-])[C@@H](NC[C@@H]1CCCO1)c1c[nH+]cn1C1CC1 C1CO[C@@H](C1)C[*:1] O=C([O-])[C@@H](N[*:1])c1c[nH+]cn1C1CC1
CCC[C@@](C)([NH3+])C(=O)N1CCN(C)C(=O)C1(C)C CCC[*:1] CN1CCN(C(=O)[C@@](C)([NH3+])[*:1])C(C)(C)C1=O
O=C(CC[C@H]1N=N[C@H](CCc2c[nH]c3ccccc23)O1)N1CCC[C@@H]1c1nccs1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CC[C@H]1N=N[C@H](CC[*:1])O1)N1CCC[C@@H]1c1nccs1
O=C(CC[C@H]1N=N[C@H](CCc2c[nH]c3ccccc23)O1)N1CCC[C@@H]1c1nccs1 c1csc(n1)[*:1] O=C(CC[C@H]1N=N[C@H](CCc2c[nH]c3ccccc23)O1)N1CCC[C@H]1[*:1]
O=C(CC[C@H]1N=N[C@H](CCc2c[nH]c3ccccc23)O1)N1CCC[C@@H]1c1nccs1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(CC[C@H]1N=N[C@H](C[*:1])O1)N1CCC[C@@H]1c1nccs1
C[C@H]1CN(c2ccc(C(=O)NNc3ccc(F)cc3)cn2)C[C@H](C)O1 Fc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(cn1)C(=O)NN[*:1]
CC(C)Cn1ncc(C(=O)N[C@H](C)C#N)c1C1CC1 C[C@H](C#N)[*:1] CC(C)Cn1ncc(C(=O)N[*:1])c1C1CC1
CC(C)Cn1ncc(C(=O)N[C@H](C)C#N)c1C1CC1 CC(C)C[*:1] C[C@H](C#N)NC(=O)c1cnn(c1C1CC1)[*:1]
CC(C)Cn1ncc(C(=O)N[C@H](C)C#N)c1C1CC1 CC(C)[*:1] C[C@H](C#N)NC(=O)c1cnn(C[*:1])c1C1CC1
CC(C)Cn1ncc(C(=O)N[C@H](C)C#N)c1C1CC1 C1CC1[*:1] CC(C)Cn1ncc(C(=O)N[C@H](C)C#N)c1[*:1]
O=C([O-])c1ccccc1O[C@H]1CCOC2(CCSCC2)C1 O=C([O-])[*:1] c1ccc(c(c1)O[C@H]1CCOC2(CCSCC2)C1)[*:1]
CC(C)OCc1c(C(=O)NCc2ccc(C(N)=O)o2)oc2ccccc12 CC(C)O[*:1] NC(=O)c1ccc(CNC(=O)c2oc3ccccc3c2C[*:1])o1
CC(C)OCc1c(C(=O)NCc2ccc(C(N)=O)o2)oc2ccccc12 NC(=O)c1ccc(o1)[*:1] CC(C)OCc1c(oc2ccccc12)C(=O)NC[*:1]
CC(C)OCc1c(C(=O)NCc2ccc(C(N)=O)o2)oc2ccccc12 CC(C)[*:1] NC(=O)c1ccc(CNC(=O)c2oc3ccccc3c2CO[*:1])o1
CC(C)OCc1c(C(=O)NCc2ccc(C(N)=O)o2)oc2ccccc12 CC(C)OC[*:1] NC(=O)c1ccc(CNC(=O)c2oc3ccccc3c2[*:1])o1
CC(C)OCc1c(C(=O)NCc2ccc(C(N)=O)o2)oc2ccccc12 NC(=O)[*:1] CC(C)OCc1c(oc2ccccc12)C(=O)NCc1ccc(o1)[*:1]
Cc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)C[NH2+]Cc1ccc(cc1)[*:1]
CCN(Cc1ccccn1)C(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)/C=C/c1ccc(o1)[C@H]1C[C@H]1C
CCN(Cc1ccccn1)C(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 c1ccc(C[*:1])nc1 CCN(C(=O)/C=C/c1ccc(o1)[C@H]1C[C@H]1C)[*:1]
C[NH+]1CCN(CCNC(=O)c2ccccc2SCc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCN(CCNC(=O)c2ccccc2S[*:1])CC1
C[NH+]1CCN(CCNC(=O)c2ccccc2SCc2ccccc2)CC1 c1ccc(cc1)CS[*:1] C[NH+]1CCN(CCNC(=O)c2ccccc2[*:1])CC1
C[NH+]1CCN(CCNC(=O)c2ccccc2SCc2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CCNC(=O)c2ccccc2SC[*:1])CC1
C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccncc2)N3)C1 c1cc(ccn1)[*:1] C[C@@H]1CCc2c(C1)sc1N[C@@H](NC(=O)c12)[*:1]
O=[N+]([O-])c1cc(-c2n[nH]c(-c3cccnc3)n2)cc([N+](=O)[O-])c1 c1cncc(c1)[*:1] O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])-c1n[nH]c(n1)[*:1]
O=[N+]([O-])c1cc(-c2n[nH]c(-c3cccnc3)n2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(cc(c1)[*:1])-c1n[nH]c(n1)-c1cccnc1
COc1c(Br)cccc1CNC(=O)N[C@H](C)CC(C)(C)OC COC(C)(C)[*:1] COc1c(Br)cccc1CNC(=O)N[C@H](C)C[*:1]
COc1c(Br)cccc1CNC(=O)N[C@H](C)CC(C)(C)OC COC(C)(C)C[*:1] COc1c(Br)cccc1CNC(=O)N[C@H](C)[*:1]
Cn1cnc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1 Cn1cnc(c1)[*:1] O=S(=O)(N1CCN(CC1)Cc1ccc(F)cc1Cl)[*:1]
Cn1cnc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1 Fc1ccc(c(Cl)c1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)C[*:1]
CC[C@H](C)n1ncc(C(=O)N(C)Cc2nc3ccccc3s2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)N(C)Cc2nc3ccccc3s2)c1[*:1]
C#CCN1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 C#CC[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CCN(CC1)[*:1]
COC(=O)c1ccc(OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 COC(=O)[*:1] O=C1COc2ccc(cc2N1)C(=O)COc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cc1 c1csc(c1)[*:1] CC(=O)Nc1ccc(cc1)CN1CCC[C@H](C1)c1cc(=O)[nH]c(n1)[*:1]
CC(=O)Nc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cc1 CC(=O)N[*:1] O=c1cc(nc([nH]1)-c1cccs1)[C@@H]1CCCN(Cc2ccc(cc2)[*:1])C1
Cc1oc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1S(=O)(=O)N(C)C c1c[nH]c(c1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)N1CCC[C@H]1[*:1]
Cc1oc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N1CCC[C@@H]1c1ccc[nH]1
CC(C)c1cccc2sc(NC(=O)C3CCN(S(C)(=O)=O)CC3)nc12 CC(C)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2c(cccc2s1)[*:1]
CCc1nc(CC)n(Cc2ccon2)n1 c1cc(no1)[*:1] CCc1nc(CC)n(C[*:1])n1
COC(=O)Cc1csc(NC(=O)/C=C/c2ccc(C)cc2)n1 COC(=O)C[*:1] Cc1ccc(/C=C/C(=O)Nc2nc(cs2)[*:1])cc1
COC(=O)Cc1csc(NC(=O)/C=C/c2ccc(C)cc2)n1 COC(=O)[*:1] Cc1ccc(/C=C/C(=O)Nc2nc(cs2)C[*:1])cc1
COC(=O)Cc1csc(NC(=O)/C=C/c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] COC(=O)Cc1csc(n1)NC(=O)C=C[*:1]
C[C@@H](C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](C[NH2+]C1CCN(CC1)C(=O)c1ccc(Cl)cc1)[*:1]
C[C@@H](C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)Oc1ccccc1 Clc1ccc(cc1)[*:1] C[C@@H](C[NH2+]C1CCN(CC1)C(=O)[*:1])Oc1ccccc1
C[C@@H](C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C[NH2+]C1CCN(CC1)C(=O)c1ccc(Cl)cc1)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](COC(=O)/C=C/c2ccncc2)C1 CC(C)(C)[*:1] O=C(/C=C/c1ccncc1)OC[C@@H]1CCCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](COC(=O)/C=C/c2ccncc2)C1 c1cc(ccn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](COC(=O)C=C[*:1])C1
CC(C)(C)OC(=O)N1CCC[C@@H](COC(=O)/C=C/c2ccncc2)C1 C(=C[*:1])c1ccncc1 CC(C)(C)OC(=O)N1CCC[C@@H](COC(=O)[*:1])C1
O=C([O-])c1cncc(OCCCc2ccccc2)n1 c1ccc(cc1)[*:1] O=C([O-])c1cncc(n1)OCCC[*:1]
O=C([O-])c1cncc(OCCCc2ccccc2)n1 O=C([O-])[*:1] c1ccc(cc1)CCCOc1cncc(n1)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)NCc2cccnc2)CC1)c1ccc(Cl)cc1 CC(=O)N[*:1] O=C(NCc1cccnc1)C1CCN(CC1)C(=O)C[C@@H](c1ccc(Cl)cc1)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)NCc2cccnc2)CC1)c1ccc(Cl)cc1 c1cncc(c1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCC(CC1)C(=O)NC[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)NCc2cccnc2)CC1)c1ccc(Cl)cc1 O=C(NCc1cccnc1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCC(CC1)[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)NCc2cccnc2)CC1)c1ccc(Cl)cc1 c1cncc(c1)C[*:1] CC(=O)N[C@@H](CC(=O)N1CCC(CC1)C(=O)N[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)NCc2cccnc2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCC(CC1)C(=O)NCc1cccnc1)[*:1]
CCC[C@]1(C)CN(Cc2ccccc2)CO1 CCC[*:1] C[C@@]1(CN(CO1)Cc1ccccc1)[*:1]
CCOC(=O)c1csc(NC(=O)CSc2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCOC(=O)c1csc(n1)NC(=O)CS[*:1]
CCOC(=O)c1csc(NC(=O)CSc2ccc(C)cc2)n1 CCOC(=O)[*:1] Cc1ccc(cc1)SCC(=O)Nc1nc(cs1)[*:1]
COCCn1ccc2ccc(NC(=O)c3cccc[n+]3[O-])cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)c1cccc[n+]1[O-]
COCCn1ccc2ccc(NC(=O)c3cccc[n+]3[O-])cc21 [O-][n+]1ccccc1[*:1] COCCn1ccc2ccc(cc21)NC(=O)[*:1]
COCCn1ccc2ccc(NC(=O)c3cccc[n+]3[O-])cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])c1cccc[n+]1[O-]
CN1CCN(S(=O)(=O)c2ccc(SCc3nccn3C(F)F)nc2)CC1 FC(F)n1ccnc1[*:1] CN1CCN(CC1)S(=O)(=O)c1ccc(nc1)SC[*:1]
CN1CCN(S(=O)(=O)c2ccc(SCc3nccn3C(F)F)nc2)CC1 FC(F)[*:1] CN1CCN(CC1)S(=O)(=O)c1ccc(nc1)SCc1nccn1[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)NC[C@]2(C)CCCO2)C1 C[C@@]1(CCCO1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NC[*:1]
CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1[*:1]
CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(F)F FC(F)[*:1] CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1O[*:1]
CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(F)F Fc1ccc(c(F)c1)[*:1] CCOc1cc(/C=C/C(=O)[*:1])ccc1OC(F)F
CCOc1cc(/C=C/C(=O)c2ccc(F)cc2F)ccc1OC(F)F CCO[*:1] O=C(/C=C/c1ccc(OC(F)F)c(c1)[*:1])c1ccc(F)cc1F
Nc1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)c1ccccc1-2 O=C(N[*:1])C(F)(F)F Nc1ccc2-c3ccccc3[C@@H](c2c1)[*:1]
Nc1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)c1ccccc1-2 FC(F)(F)[*:1] Nc1ccc2-c3ccccc3[C@@H](NC(=O)[*:1])c2c1
COc1ccc(-n2ccn(Cc3ccccc3C)c(=O)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1Cn1ccn(c(=O)c1=O)[*:1]
COc1ccc(-n2ccn(Cc3ccccc3C)c(=O)c2=O)cc1 Cc1ccccc1C[*:1] COc1ccc(cc1)-n1ccn(c(=O)c1=O)[*:1]
COc1ccc(-n2ccn(Cc3ccccc3C)c(=O)c2=O)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)-n1ccn(C[*:1])c(=O)c1=O
C[C@@H](C#N)Sc1nnc2n(C)c3ccccc3n12 C[C@@H](C#N)[*:1] Cn1c2ccccc2n2c(nnc12)S[*:1]
C[C@@H](C#N)Sc1nnc2n(C)c3ccccc3n12 C[C@@H](C#N)S[*:1] Cn1c2ccccc2n2c(nnc12)[*:1]
Cc1cc(Br)cc(C)c1NC(=O)NC(C)(C)CO CC(C)(CO)[*:1] Cc1cc(Br)cc(C)c1NC(=O)N[*:1]
C[C@@H](CNC(=O)N(C)C[C@@H](C)O)N1CCN(c2ccccc2)CC1 C[C@@H](O)C[*:1] C[C@@H](CNC(=O)N(C)[*:1])N1CCN(CC1)c1ccccc1
C[C@@H](CNC(=O)N(C)C[C@@H](C)O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N(C)C[C@@H](C)O)N1CCN(CC1)[*:1]
C[C@@H](CNC(=O)N(C)C[C@@H](C)O)N1CCN(c2ccccc2)CC1 C[C@@H](O)[*:1] C[C@@H](CNC(=O)N(C)C[*:1])N1CCN(CC1)c1ccccc1
[NH3+]C1CCC(n2cc(C(=O)NCc3nc(C4CCCCC4)no3)nn2)CC1 C1CCC(CC1)[*:1] [NH3+]C1CCC(CC1)n1cc(nn1)C(=O)NCc1nc(no1)[*:1]
Cc1cccc(NC(=O)N2CCC(C(=O)N[C@H](C)c3ccncc3)CC2)c1 c1cc(ccn1)[*:1] Cc1cccc(c1)NC(=O)N1CCC(CC1)C(=O)N[C@H](C)[*:1]
Cc1cccc(NC(=O)N2CCC(C(=O)N[C@H](C)c3ccncc3)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)C(=O)N[*:1])c1ccncc1
CCn1nc(C)cc1C(=O)NC[C@H](O)c1cccc(OC(F)F)c1 FC(F)O[*:1] CCn1nc(C)cc1C(=O)NC[C@H](O)c1cccc(c1)[*:1]
CCn1nc(C)cc1C(=O)NC[C@H](O)c1cccc(OC(F)F)c1 CCn1nc(C)cc1[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)[*:1]
CCn1nc(C)cc1C(=O)NC[C@H](O)c1cccc(OC(F)F)c1 FC(F)[*:1] CCn1nc(C)cc1C(=O)NC[C@H](O)c1cccc(c1)O[*:1]
O=C(CCNC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2C1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCNC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2C1)N1CCN(CC1)[*:1]
COc1ccc([C@H]2C[C@H](C)N(C(=O)C[C@H]3OCCc4ccccc43)C2)cc1 COc1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1C(=O)C[C@H]1OCCc2ccccc21)[*:1]
C[NH2+]CCC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-] C[NH2+]CC[*:1] O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)[*:1]
C[NH2+]CCC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-] O=C([O-])[*:1] C[NH2+]CCC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1[*:1]
C[NH2+]CCC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-] C[NH2+]C[*:1] O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)C[*:1]
COc1cccc(CC(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccc(C)o3)C2)c1 CC(=O)N[*:1] COc1cccc(c1)CC(=O)N1C[C@@H]([C@@H](C1)c1ccc(C)o1)[*:1]
COc1cccc(CC(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccc(C)o3)C2)c1 Cc1ccc(o1)[*:1] COc1cccc(c1)CC(=O)N1C[C@@H](NC(C)=O)[C@H](C1)[*:1]
COc1cccc(CC(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccc(C)o3)C2)c1 COc1cccc(c1)[*:1] CC(=O)N[C@@H]1CN(C[C@H]1c1ccc(C)o1)C(=O)C[*:1]
CCc1cc(NC(=O)C(=O)NCCc2cn3ccccc3n2)n(C)n1 CCc1cc(n(C)n1)[*:1] O=C(NCCc1cn2ccccc2n1)C(=O)N[*:1]
Cc1cnn(CCC(=O)N2CCSC(C)(C)C2)c1 Cc1cnn(c1)[*:1] CC1(C)CN(CCS1)C(=O)CC[*:1]
O=C(CCc1nnc(C2CCCC2)o1)NC[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1nnc(o1)C1CCCC1)NC[C@H]1C[C@@H]1[*:1]
O=C(CCc1nnc(C2CCCC2)o1)NC[C@H]1C[C@H]1c1ccccc1 C1CCC(C1)[*:1] O=C(CCc1nnc(o1)[*:1])NC[C@H]1C[C@H]1c1ccccc1
O=C([O-])C[C@H]1c2ccccc2CCN1C(=O)Nc1ccccc1Br O=C([O-])C[*:1] O=C(Nc1ccccc1Br)N1CCc2ccccc2[C@@H]1[*:1]
O=C([O-])C[C@H]1c2ccccc2CCN1C(=O)Nc1ccccc1Br Brc1ccccc1[*:1] O=C([O-])C[C@H]1c2ccccc2CCN1C(=O)N[*:1]
O=C([O-])C[C@H]1c2ccccc2CCN1C(=O)Nc1ccccc1Br O=C([O-])[*:1] O=C(Nc1ccccc1Br)N1CCc2ccccc2[C@@H]1C[*:1]
Cc1n[nH]c(SCCC(=O)NCc2cc(N(C)C)[nH+]c3ccccc23)n1 Cc1n[nH]c(n1)SC[*:1] CN(C)c1cc(CNC(=O)C[*:1])c2ccccc2[nH+]1
Cc1n[nH]c(SCCC(=O)NCc2cc(N(C)C)[nH+]c3ccccc23)n1 Cc1n[nH]c(n1)S[*:1] CN(C)c1cc(CNC(=O)CC[*:1])c2ccccc2[nH+]1
Cc1n[nH]c(SCCC(=O)NCc2cc(N(C)C)[nH+]c3ccccc23)n1 Cc1n[nH]c(n1)[*:1] CN(C)c1cc(CNC(=O)CCS[*:1])c2ccccc2[nH+]1
Cc1n[nH]c(SCCC(=O)NCc2cc(N(C)C)[nH+]c3ccccc23)n1 CN(C)[*:1] Cc1n[nH]c(n1)SCCC(=O)NCc1cc([nH+]c2ccccc12)[*:1]
C#CCOc1cccc(NC(=O)N[C@@H]2CCCn3c(C)nnc32)c1 C#CC[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)Nc1cccc(c1)O[*:1]
C#CCOc1cccc(NC(=O)N[C@@H]2CCCn3c(C)nnc32)c1 C#CCO[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)Nc1cccc(c1)[*:1]
CNC(=O)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 CNC(=O)[*:1] c1ccc(cc1)[C@H]1CN(CC[NH2+]1)c1cc(ccn1)[*:1]
CNC(=O)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 c1ccc(cc1)[*:1] CNC(=O)c1ccnc(c1)N1CC[NH2+][C@@H](C1)[*:1]
COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)ccc1OCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] COc1cc(ccc1OC[*:1])C(=O)N1CCN(CC1)Cc1ccc2OCCc2c1
COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)ccc1OCC(=O)N1CCOCC1 c1cc2OCCc2cc1[*:1] COc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)N1CCN(CC1)C[*:1]
COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)ccc1OCC(=O)N1CCOCC1 c1cc2OCCc2cc1C[*:1] COc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)N1CCN(CC1)[*:1]
COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)ccc1OCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 COc1cc(ccc1O[*:1])C(=O)N1CCN(CC1)Cc1ccc2OCCc2c1
COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)ccc1OCC(=O)N1CCOCC1 O=C(CO[*:1])N1CCOCC1 COc1cc(ccc1[*:1])C(=O)N1CCN(CC1)Cc1ccc2OCCc2c1
Cc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@@H](C)[C@H](C)C1 O=C([O-])[*:1] Cc1ccc(cc1NC(=O)N1C[C@@H](C)[C@H](C)C1)[*:1]
CN(CC(=O)Nc1ccccc1C#N)S(=O)(=O)c1ccc2ccccc2c1 N#Cc1ccccc1[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc2ccccc2c1
C[C@H]1CCC[C@@H](C)N1C(=O)CCCOc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CCCOc1ccc(cc1)[*:1]
Cc1nc(-c2ccccc2)c(NC(=O)c2ccc(C(C)(C)C)cc2)s1 CC(C)(C)[*:1] Cc1nc(-c2ccccc2)c(NC(=O)c2ccc(cc2)[*:1])s1
Cc1nc(-c2ccccc2)c(NC(=O)c2ccc(C(C)(C)C)cc2)s1 c1ccc(cc1)[*:1] Cc1nc(c(NC(=O)c2ccc(cc2)C(C)(C)C)s1)[*:1]
COc1ccc([C@@H](N)C(F)(F)F)cc1C(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1[*:1])[C@@H](N)C(F)(F)F
COc1ccc([C@@H](N)C(F)(F)F)cc1C(F)(F)F N[C@@H](C(F)(F)F)[*:1] COc1ccc(cc1C(F)(F)F)[*:1]
COc1ccc([C@@H](N)C(F)(F)F)cc1C(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1C(F)(F)F)[C@@H](N)[*:1]
CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@H]1Cc2ccccc2O1 c1cc(ccn1)[*:1] CN(Cc1cc(no1)[*:1])C(=O)[C@H]1Cc2ccccc2O1
Cc1nc(N2CCN(C(=O)c3cccc(F)c3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 Fc1cccc(c1)[*:1] Cc1nc(c2c3CC[C@@H](C)Cc3sc2n1)N1CCN(CC1)C(=O)[*:1]
CC[C@@H]1NC(C)=C(C(=O)NCCSc2ncn[nH]2)O1 c1n[nH]c(n1)S[*:1] CC[C@@H]1NC(C)=C(O1)C(=O)NCC[*:1]
CC[C@@H]1NC(C)=C(C(=O)NCCSc2ncn[nH]2)O1 c1n[nH]c(n1)[*:1] CC[C@@H]1NC(C)=C(O1)C(=O)NCCS[*:1]
COc1ccccc1[C@@H](CNC(=O)Cc1ccc(Cl)cc1Cl)[NH+]1CCCC1 Clc1ccc(C[*:1])c(Cl)c1 COc1ccccc1[C@@H](CNC(=O)[*:1])[NH+]1CCCC1
COc1ccccc1[C@@H](CNC(=O)Cc1ccc(Cl)cc1Cl)[NH+]1CCCC1 COc1ccccc1[*:1] O=C(Cc1ccc(Cl)cc1Cl)NC[C@@H]([NH+]1CCCC1)[*:1]
COc1ccccc1[C@@H](CNC(=O)Cc1ccc(Cl)cc1Cl)[NH+]1CCCC1 Clc1ccc(c(Cl)c1)[*:1] COc1ccccc1[C@@H](CNC(=O)C[*:1])[NH+]1CCCC1
Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 Cc1ccccc1[*:1] O=C(N[*:1])C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1
Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)[*:1]
Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[*:1]
COCCNC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] COCCNC(=O)N[C@H](C)c1ccc(cc1)[*:1]
COCCNC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 COCC[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)-c1ccccc1
COCCNC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 COC[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(cc1)-c1ccccc1
NS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] NS(=O)(=O)c1ccc(Br)c(c1)C(=O)N[*:1]
NS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCCC2)c1 NS(=O)(=O)[*:1] O=C(NC1CCCC1)c1cc(ccc1Br)[*:1]
NC(=O)CN(C(=O)C1CCC(c2ccccc2)CC1)C1CCCC1 NC(=O)C[*:1] O=C(C1CCC(CC1)c1ccccc1)N(C1CCCC1)[*:1]
NC(=O)CN(C(=O)C1CCC(c2ccccc2)CC1)C1CCCC1 NC(=O)[*:1] O=C(C1CCC(CC1)c1ccccc1)N(C[*:1])C1CCCC1
NC(=O)CN(C(=O)C1CCC(c2ccccc2)CC1)C1CCCC1 c1ccc(cc1)[*:1] NC(=O)CN(C(=O)C1CCC(CC1)[*:1])C1CCCC1
NC(=O)CN(C(=O)C1CCC(c2ccccc2)CC1)C1CCCC1 C1CCC(C1)[*:1] NC(=O)CN(C(=O)C1CCC(CC1)c1ccccc1)[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 Fc1ccccc1[*:1] C[C@H]1C[C@@H]1C(=O)Nc1cccc(c1)C(=O)N[*:1]
O=C1C[C@H](NCc2cnc(-c3cccnc3)s2)CN1c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](CN1[*:1])NCc1cnc(s1)-c1cccnc1
O=C1C[C@H](NCc2cnc(-c3cccnc3)s2)CN1c1ccccc1 c1cncc(c1)[*:1] O=C1C[C@@H](CN1c1ccccc1)NCc1cnc(s1)[*:1]
Cc1nc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)oc1C NC(=O)[*:1] Cc1nc(C[NH+]2CCC(CC2)Oc2ccnc(c2)[*:1])oc1C
Cc1nc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)oc1C Cc1nc(C[*:1])oc1C NC(=O)c1cc(ccn1)OC1CC[NH+](CC1)[*:1]
Cc1nc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)oc1C Cc1nc(oc1C)[*:1] NC(=O)c1cc(ccn1)OC1CC[NH+](CC1)C[*:1]
C[C@H](NC(=O)NC[C@@H](O)C1CCCC1)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H](NC(=O)NC[C@@H](O)C1CCCC1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NC[C@@H](O)C1CCCC1)c1ccc(-c2cncnc2)cc1 O[C@@H](C1CCCC1)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(cc1)-c1cncnc1
C[C@H](NC(=O)NC[C@@H](O)C1CCCC1)c1ccc(-c2cncnc2)cc1 O[C@H](C[*:1])C1CCCC1 C[C@H](NC(=O)N[*:1])c1ccc(cc1)-c1cncnc1
C[C@H](NC(=O)NC[C@@H](O)C1CCCC1)c1ccc(-c2cncnc2)cc1 C1CCC(C1)[*:1] C[C@H](NC(=O)NC[C@@H](O)[*:1])c1ccc(cc1)-c1cncnc1
CCOc1ccc(C(=O)NCC(=O)N2CC[C@H](C)[C@H](O)C2)cc1 CCO[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)CNC(=O)c1ccc(cc1)[*:1]
Cc1nc(C[S@@](=O)c2nnc(NCC(F)(F)F)s2)sc1C FC(F)(F)[*:1] Cc1nc(C[S@@](=O)c2nnc(NC[*:1])s2)sc1C
Cc1nc(C[S@@](=O)c2nnc(NCC(F)(F)F)s2)sc1C Cc1nc(sc1C)[*:1] O=[S@](C[*:1])c1nnc(NCC(F)(F)F)s1
Cc1nc(C[S@@](=O)c2nnc(NCC(F)(F)F)s2)sc1C FC(F)(F)CN[*:1] Cc1nc(C[S@@](=O)c2nnc(s2)[*:1])sc1C
Cc1nc(C[S@@](=O)c2nnc(NCC(F)(F)F)s2)sc1C FC(F)(F)C[*:1] Cc1nc(C[S@@](=O)c2nnc(N[*:1])s2)sc1C
CCSCC[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1C(N)=O CCSCC[*:1] C[C@H](NC(=O)N[C@H]1CCC[C@@H]1C(N)=O)[*:1]
CCSCC[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1C(N)=O CCS[*:1] C[C@@H](CC[*:1])NC(=O)N[C@H]1CCC[C@@H]1C(N)=O
CCSCC[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1C(N)=O CCSC[*:1] C[C@@H](C[*:1])NC(=O)N[C@H]1CCC[C@@H]1C(N)=O
CCSCC[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1C(N)=O NC(=O)[*:1] CCSCC[C@H](C)NC(=O)N[C@H]1CCC[C@H]1[*:1]
O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] O=C(CCc1nc2ccccc2c(=O)n1C1CC1)N[*:1]
O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NC(C1CC1)[*:1]
O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(CCc1nc2ccccc2c(=O)n1[*:1])NC(C1CC1)C1CC1
Cc1cccc(C)c1NC(=O)CSc1nnnn1C1CCCCC1 C1CCC(CC1)[*:1] Cc1cccc(C)c1NC(=O)CSc1nnnn1[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnnn1C1CCCCC1 Cc1cccc(C)c1[*:1] O=C(CSc1nnnn1C1CCCCC1)N[*:1]
C=C(C)CC(C)(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]CC C=C(C)[*:1] CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)(C)C[*:1]
C=C(C)CC(C)(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]CC C=C(C)C[*:1] CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)(C)[*:1]
COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C2CC2)cc1 COc1ccc(cc1)[*:1] O=C([O-])[C@@H]1c2ccccc2C(=O)N(C2CC2)[C@@H]1[*:1]
COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H]1[C@H](C(=O)[O-])c2ccccc2C(=O)N1[*:1]
COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C2CC2)cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@@H]1[C@H](c2ccccc2C(=O)N1C1CC1)[*:1]
CCCc1c(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cnn1Cc1ccccc1 c1ccc(cc1)C[*:1] CCCc1c(cnn1[*:1])C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C
CCCc1c(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cnn1Cc1ccccc1 c1ccc(cc1)[*:1] CCCc1c(cnn1C[*:1])C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C
CCCc1c(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cnn1Cc1ccccc1 CCC[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cnn(Cc2ccccc2)c1[*:1]
COc1ccc(NC(=O)CN2C(=O)C[C@H](c3ccccc3)Sc3ccccc32)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)CN2C(=O)C[C@H](Sc3ccccc32)[*:1])c(c1)OC
COc1ccc(NC(=O)CN2C(=O)C[C@H](c3ccccc3)Sc3ccccc32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(CN1C(=O)C[C@@H](Sc2ccccc21)c1ccccc1)N[*:1]
C[C@@H]1CCC[C@@H](OCC(=O)NC[C@](C)(O)c2ccsc2)C1 c1cc(cs1)[*:1] C[C@@H]1CCC[C@H](C1)OCC(=O)NC[C@](C)(O)[*:1]
C[C@@H]1CCC[C@@H](OCC(=O)NC[C@](C)(O)c2ccsc2)C1 C[C@@H]1CCC[C@@H](C1)[*:1] C[C@](O)(CNC(=O)CO[*:1])c1ccsc1
O=C(c1ccc2ccccc2c1)N(Cc1cccnc1)C[C@H]1CCCO1 c1cncc(c1)[*:1] O=C(c1ccc2ccccc2c1)N(C[C@H]1CCCO1)C[*:1]
O=C(c1ccc2ccccc2c1)N(Cc1cccnc1)C[C@H]1CCCO1 c1cncc(c1)C[*:1] O=C(c1ccc2ccccc2c1)N(C[C@H]1CCCO1)[*:1]
CN(C)c1ncc(CN2CCCN(c3ccccc3C#N)CC2)s1 CN(C)c1ncc(s1)[*:1] N#Cc1ccccc1N1CCCN(CC1)C[*:1]
CN(C)c1ncc(CN2CCCN(c3ccccc3C#N)CC2)s1 N#Cc1ccccc1[*:1] CN(C)c1ncc(CN2CCCN(CC2)[*:1])s1
CN(C)c1ncc(CN2CCCN(c3ccccc3C#N)CC2)s1 CN(C)[*:1] N#Cc1ccccc1N1CCCN(CC1)Cc1cnc(s1)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1sc([C@@H](C)OC)nc1C CO[C@H](C)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1sc(nc1C)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1sc([C@@H](C)OC)nc1C CC[S@@](=O)[*:1] CO[C@H](C)c1nc(C)c(s1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CC(C)[C@H]1CCCCN1c1ncc(Cl)cn1 CC(C)[*:1] Clc1cnc(nc1)N1CCCC[C@@H]1[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 O=C(C[*:1])N1CCCC1 Cc1noc(C)c1[C@@H](C)C(=O)N(C[C@@H]1CCCO1)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1noc(C)c1[C@@H](C)C(=O)N(CC(=O)N1CCCC1)C[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1noc(C)c1[C@@H](C)C(=O)N(CC(=O)N1CCCC1)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 Cc1noc(C)c1[*:1] C[C@@H](C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 O=C(N1CCCC1)[*:1] Cc1noc(C)c1[C@@H](C)C(=O)N(C[C@@H]1CCCO1)C[*:1]
Cc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](NC(=O)c1cc(nc2ncnn12)-c1ccc(F)cc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)c(C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)[C@@H](C)NC(=O)c1cc(nc2ncnn12)[*:1]
C[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)c1cccc(Cl)c1 CN(C)[*:1] C[C@@H](NC(=O)NNC(=O)c1cccc(c1)[*:1])c1cccc(Cl)c1
C[C@@H](NC(=O)NNC(=O)c1cccc(N(C)C)c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)NNC(=O)c1cccc(c1)N(C)C)[*:1]
CCN(C)C(=O)c1cccc(C(=O)N2CCN(C)c3ccc(F)cc32)c1 CCN(C)C(=O)[*:1] CN1CCN(C(=O)c2cccc(c2)[*:1])c2cc(F)ccc21
O=C(NCc1cccc(F)c1)c1ccc(-c2ccsc2)nc1 Fc1cccc(c1)[*:1] O=C(NC[*:1])c1ccc(nc1)-c1ccsc1
O=C(NCc1cccc(F)c1)c1ccc(-c2ccsc2)nc1 c1cc(cs1)[*:1] O=C(NCc1cccc(F)c1)c1ccc(nc1)[*:1]
COC(=O)C1C(=O)/C(=C/c2cccc(OC)c2)N=C1C COC(=O)[*:1] COc1cccc(/C=C2\N=C(C)C(C2=O)[*:1])c1
O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1[*:1]
O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1/C(=C/c2ccco2)N=C(N1Cc1ccccc1)[*:1]
O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1Cc1ccccc1 c1coc(c1)[*:1] O=C1C(=C[*:1])N=C(c2ccccc2)N1Cc1ccccc1
O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1C[*:1]
Cc1ccnc([C@H](Nc2ncnc3sc(C)cc23)C2CC2)n1 Cc1ccnc(n1)[*:1] Cc1cc2c(ncnc2s1)N[C@H](C1CC1)[*:1]
Cc1ccnc([C@H](Nc2ncnc3sc(C)cc23)C2CC2)n1 C1CC1[*:1] Cc1ccnc(n1)[C@H](Nc1ncnc2sc(C)cc12)[*:1]
Cc1ccsc1[C@H](O)CNC(=O)NC(c1ccccc1)c1ccccc1 Cc1ccsc1[*:1] O=C(NC[C@@H](O)[*:1])NC(c1ccccc1)c1ccccc1
Cc1ccsc1[C@H](O)CNC(=O)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccsc1[C@H](O)CNC(=O)NC(c1ccccc1)[*:1]
CC(C)N(C(=O)Cc1ccc(-n2cccn2)cc1)C1CCC1 CC(C)[*:1] O=C(Cc1ccc(cc1)-n1cccn1)N(C1CCC1)[*:1]
CC(C)N(C(=O)Cc1ccc(-n2cccn2)cc1)C1CCC1 c1cnn(c1)[*:1] CC(C)N(C(=O)Cc1ccc(cc1)[*:1])C1CCC1
CC(C)N(C(=O)Cc1ccc(-n2cccn2)cc1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)Cc1ccc(cc1)-n1cccn1)[*:1]
Fc1ccc(-n2c(SCc3ccccn3)nnc2-c2ccco2)cc1 c1coc(c1)[*:1] Fc1ccc(cc1)-n1c(nnc1[*:1])SCc1ccccn1
Fc1ccc(-n2c(SCc3ccccn3)nnc2-c2ccco2)cc1 c1ccc(CS[*:1])nc1 Fc1ccc(cc1)-n1c(nnc1[*:1])-c1ccco1
Fc1ccc(-n2c(SCc3ccccn3)nnc2-c2ccco2)cc1 Fc1ccc(cc1)[*:1] c1ccc(CSc2nnc(-c3ccco3)n2[*:1])nc1
Fc1ccc(-n2c(SCc3ccccn3)nnc2-c2ccco2)cc1 c1ccc(C[*:1])nc1 Fc1ccc(cc1)-n1c(nnc1-c1ccco1)S[*:1]
Fc1ccc(-n2c(SCc3ccccn3)nnc2-c2ccco2)cc1 c1ccc(nc1)[*:1] Fc1ccc(cc1)-n1c(nnc1-c1ccco1)SC[*:1]
Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)N1CCCC1)C2 c1ccc(cc1)[*:1] Cn1nc(C(=O)N[*:1])c2CN(CCc21)C(=O)CCC(=O)N1CCCC1
Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)N1CCCC1)C2 O=C(N1CCCC1)[*:1] Cn1nc(C(=O)Nc2ccccc2)c2CN(CCc21)C(=O)CC[*:1]
Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)N1CCCC1)C2 O=C(CC[*:1])N1CCCC1 Cn1nc(C(=O)Nc2ccccc2)c2CN(CCc21)C(=O)[*:1]
Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)N1CCCC1)C2 O=C(C[*:1])N1CCCC1 Cn1nc(C(=O)Nc2ccccc2)c2CN(CCc21)C(=O)C[*:1]
Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)N1CCCC1)C2 O=C(Nc1ccccc1)[*:1] Cn1nc(c2CN(CCc21)C(=O)CCC(=O)N1CCCC1)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(OC(C)C)c2)NC(=S)N1 O=C(Nc1ccccc1)[*:1] CC1NC(=S)N[C@H](C=1[*:1])c1cccc(c1)OC(C)C
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(OC(C)C)c2)NC(=S)N1 CC(C)[*:1] CC1NC(=S)N[C@H](C=1C(=O)Nc1ccccc1)c1cccc(c1)O[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(OC(C)C)c2)NC(=S)N1 c1ccc(cc1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1cccc(c1)OC(C)C
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(OC(C)C)c2)NC(=S)N1 CC(C)O[*:1] CC1NC(=S)N[C@H](C=1C(=O)Nc1ccccc1)c1cccc(c1)[*:1]
C1CCC(C[NH2+][C@H]2CCCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 C1CCC(CC1)[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCCC[C@@H]1[NH2+]C[*:1]
C[C@H]1C[C@@H]([NH2+]CCc2ncn(C)n2)CC(C)(C)C1 Cn1cnc(n1)[*:1] C[C@H]1C[C@H](CC(C)(C)C1)[NH2+]CC[*:1]
C=CCN1CCN(S(C)(=O)=O)[C@@H](C(=O)NCc2ccccc2)C1 C=CC[*:1] CS(=O)(=O)N1CCN(C[C@@H]1C(=O)NCc1ccccc1)[*:1]
C=CCN1CCN(S(C)(=O)=O)[C@@H](C(=O)NCc2ccccc2)C1 c1ccc(cc1)[*:1] C=CCN1CCN([C@H](C1)C(=O)NC[*:1])S(C)(=O)=O
C=CCN1CCN(S(C)(=O)=O)[C@@H](C(=O)NCc2ccccc2)C1 c1ccc(cc1)C[*:1] C=CCN1CCN([C@H](C1)C(=O)N[*:1])S(C)(=O)=O
COc1ccccc1[C@@H]1CN2C(=O)CN(CCc3cccc(F)c3)C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C21 Fc1cccc(c1)[*:1] COc1ccccc1[C@@H]1CN2C(=O)CN(CC[*:1])C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C21
COc1ccccc1[C@@H]1CN2C(=O)CN(CCc3cccc(F)c3)C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C21 COc1ccccc1[*:1] C[C@]12C(=O)N(CCc3cccc(F)c3)CC(=O)N1C[C@H](C1=c3ccccc3=[NH+][C@@H]12)[*:1]
COc1ccccc1[C@@H]1CN2C(=O)CN(CCc3cccc(F)c3)C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C21 Fc1cccc(c1)C[*:1] COc1ccccc1[C@@H]1CN2C(=O)CN(C[*:1])C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C21
COc1ccccc1[C@@H]1CN2C(=O)CN(CCc3cccc(F)c3)C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C21 Fc1cccc(c1)CC[*:1] COc1ccccc1[C@@H]1CN2C(=O)CN(C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C21)[*:1]
O=C(C1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCOCC1 O=[N+]([O-])[*:1] O=C(C1CCN(CC1)c1ncccc1[*:1])N1CCOCC1
COc1ccc(OCCNC(=O)N[C@@H](C)CO)cc1 C[C@@H](CO)[*:1] COc1ccc(cc1)OCCNC(=O)N[*:1]
Cc1sc(Br)cc1-c1nn(C)cc1C[NH2+]C(C)(C)C CC(C)(C)[*:1] Cc1sc(Br)cc1-c1nn(C)cc1C[NH2+][*:1]
CCC(O)(CC)CNC(=O)NCc1cccc([N+]2=CCCC2)c1 CCC(O)(CC)[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)NC[*:1]
CCC(O)(CC)CNC(=O)NCc1cccc([N+]2=CCCC2)c1 CCC(O)(CC)C[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)N[*:1]
CCC(CC)C(=O)NCc1cnn2ccccc12 CCC(CC)[*:1] O=C(NCc1cnn2ccccc12)[*:1]
COC(=O)C1(NC(=O)c2cc(C)no2)CCCCC1 COC(=O)[*:1] Cc1cc(on1)C(=O)NC1(CCCCC1)[*:1]
COC(=O)C1(NC(=O)c2cc(C)no2)CCCCC1 Cc1cc(on1)[*:1] COC(=O)C1(CCCCC1)NC(=O)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cn2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1ccc(nc1)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(Cc1c[nH]c2ccc(F)cc12)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(Cc1c[nH]c2ccc(F)cc12)N[C@@H](CO)[*:1]
O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1cc2OCOc2cc1[*:1] O=C(COC(=O)[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(COC(=O)c1ccc2OCOc2c1)Nc1ccc(cc1)[*:1]
CCc1cccc(NC(=O)[C@H](C)Sc2nnc(-n3nc(C)cc3C)n2N)c1 CCc1cccc(c1)[*:1] Cc1cc(C)n(n1)-c1nnc(S[C@@H](C)C(=O)N[*:1])n1N
CCc1cccc(NC(=O)[C@H](C)Sc2nnc(-n3nc(C)cc3C)n2N)c1 Cc1cc(C)n(n1)[*:1] CCc1cccc(c1)NC(=O)[C@H](C)Sc1nnc(n1N)[*:1]
CC(C)OCCOc1ccc(S(N)(=O)=O)c(N)c1 CC(C)[*:1] Nc1cc(ccc1S(N)(=O)=O)OCCO[*:1]
CC(C)OCCOc1ccc(S(N)(=O)=O)c(N)c1 CC(C)O[*:1] Nc1cc(ccc1S(N)(=O)=O)OCC[*:1]
CC(C)OCCOc1ccc(S(N)(=O)=O)c(N)c1 NS(=O)(=O)[*:1] CC(C)OCCOc1ccc(c(N)c1)[*:1]
CC(C)OCCOc1ccc(S(N)(=O)=O)c(N)c1 CC(C)OCC[*:1] Nc1cc(ccc1S(N)(=O)=O)O[*:1]
CC(C)OCCOc1ccc(S(N)(=O)=O)c(N)c1 CC(C)OC[*:1] Nc1cc(ccc1S(N)(=O)=O)OC[*:1]
Cc1c(-c2nnc(C(=O)NCc3cccc(Br)c3)o2)oc2c(C)cccc12 Brc1cccc(c1)C[*:1] Cc1c(oc2c(C)cccc12)-c1nnc(o1)C(=O)N[*:1]
Cc1c(-c2nnc(C(=O)NCc3cccc(Br)c3)o2)oc2c(C)cccc12 Brc1cccc(c1)[*:1] Cc1c(oc2c(C)cccc12)-c1nnc(o1)C(=O)NC[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCC(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCC(=O)N[*:1]
CCC[C@H](C(=O)NC[C@@]1(O)CCSC1)c1ccccc1 CCC[*:1] O=C(NC[C@@]1(O)CCSC1)[C@H](c1ccccc1)[*:1]
CCC[C@H](C(=O)NC[C@@]1(O)CCSC1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](C(=O)NC[C@@]1(O)CCSC1)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@@H]1C[C@H]1[*:1]
C[C@@H]1CCCN(C(=O)c2csc(C#CCCO)c2)C1 OCCC#C[*:1] C[C@@H]1CCCN(C1)C(=O)c1csc(c1)[*:1]
C[C@@H]1CCCN(C(=O)c2csc(C#CCCO)c2)C1 OCC[*:1] C[C@@H]1CCCN(C1)C(=O)c1csc(C#C[*:1])c1
Cc1cccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)c3ccccc3C2=O)c1 Cc1cccc(c1)[*:1] O=C([O-])c1ccc(/C=C2/C(=O)N(C(=O)c3ccccc32)[*:1])cc1
Cc1cccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)c3ccccc3C2=O)c1 O=C([O-])[*:1] Cc1cccc(c1)N1C(=O)/C(=C/c2ccc(cc2)[*:1])c2ccccc2C1=O
Cc1cccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)c3ccccc3C2=O)c1 O=C([O-])c1ccc(cc1)[*:1] Cc1cccc(c1)N1C(=O)C(=C[*:1])c2ccccc2C1=O
CN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H]1[*:1]
CN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccccc1 O=C([O-])C[*:1] CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[*:1]
CN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccccc1 O=C([O-])[*:1] CN(C[*:1])C(=O)N[C@@H]1C[C@H]1c1ccccc1
CN(Cc1ccsc1)C(=O)NC1CCN(c2ncccn2)CC1 c1cc(cs1)C[*:1] CN(C(=O)NC1CCN(CC1)c1ncccn1)[*:1]
CN(Cc1ccsc1)C(=O)NC1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CN(Cc1ccsc1)C(=O)NC1CCN(CC1)[*:1]
CN(Cc1ccsc1)C(=O)NC1CCN(c2ncccn2)CC1 c1cc(cs1)[*:1] CN(C[*:1])C(=O)NC1CCN(CC1)c1ncccn1
CCN(Cc1cccc(Cl)c1)C(=O)NCC(C)(C)[NH+](C)C Clc1cccc(c1)[*:1] CCN(C[*:1])C(=O)NCC(C)(C)[NH+](C)C
O=C(CC[C@H]1CCCO1)N1CCC[C@H](c2ccn[nH]2)C1 c1cc([nH]n1)[*:1] O=C(CC[C@H]1CCCO1)N1CCC[C@H](C1)[*:1]
O=C(CC[C@H]1CCCO1)N1CCC[C@H](c2ccn[nH]2)C1 C1CO[C@H](C1)C[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1ccn[nH]1
O=C(CC[C@H]1CCCO1)N1CCC[C@H](c2ccn[nH]2)C1 C1CO[C@H](C1)[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)c1ccn[nH]1
CCC[C@H]1CN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CCO1 CCC[*:1] O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CCO1 FC(F)(F)[*:1] CCC[C@H]1CN(CCO1)C(=O)C[C@H](c1ccccc1)[*:1]
CCC[C@H]1CN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CCO1 c1ccc(cc1)[*:1] CCC[C@H]1CN(CCO1)C(=O)C[C@H](C(F)(F)F)[*:1]
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 c1ccc(cc1)[*:1] O=C(NC[C@H](O)C[*:1])C(=O)Nc1ccc(F)c(F)c1
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 c1ccc(cc1)C[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1ccc(F)c(F)c1
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(NC[C@H](O)Cc1ccccc1)C(=O)N[*:1]
O=[N+]([O-])c1c(N2CCN(c3ccccc3)CC2)ncnc1N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)[*:1])N1CCN(CC1)c1ccccc1
O=[N+]([O-])c1c(N2CCN(c3ccccc3)CC2)ncnc1N1CCN(c2ccc(F)cc2)CC1 O=[N+]([O-])[*:1] Fc1ccc(cc1)N1CCN(CC1)c1ncnc(c1[*:1])N1CCN(CC1)c1ccccc1
O=[N+]([O-])c1c(N2CCN(c3ccccc3)CC2)ncnc1N1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)[*:1])N1CCN(CC1)c1ccc(F)cc1
CN(CCC1CC1)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 C1CC1CC[*:1] CN1C(=O)C[C@H](NC(=O)N(C)[*:1])[C@H]1c1ccc(Cl)cc1
CN(CCC1CC1)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 C1CC1C[*:1] CN(C[*:1])C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1
CN(CCC1CC1)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 C1CC1[*:1] CN(CC[*:1])C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1
CN(CCC1CC1)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(CCC1CC1)C(=O)N[C@H]1CC(=O)N(C)[C@H]1[*:1]
COc1ccc([C@@H]2N/C(=C\C(=O)N[C@@H](C)CC3=c4ccccc4=[NH+]C3)CS2)cc1OC COc1ccc(cc1OC)[*:1] C[C@@H](CC1C[NH+]=c2ccccc2=1)NC(=O)/C=C1/CS[C@@H](N1)[*:1]
C[C@H](O)c1ccc(OCc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] C[C@H](O)c1ccc(OC[*:1])c(F)c1
C[C@H](O)c1ccc(OCc2ccccc2)c(F)c1 C[C@H](O)[*:1] Fc1cc(ccc1OCc1ccccc1)[*:1]
COc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c(OC(C)C)c1 CC(C)[*:1] COc1ccc(C[NH+]2CCC(CC2)N2CCCNC2=O)c(c1)O[*:1]
COc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c(OC(C)C)c1 O=C1NCCCN1[*:1] COc1ccc(C[NH+]2CCC(CC2)[*:1])c(c1)OC(C)C
COc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c(OC(C)C)c1 CC(C)O[*:1] COc1ccc(C[NH+]2CCC(CC2)N2CCCNC2=O)c(c1)[*:1]
O=C([O-])[C@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2cccc(Cl)c2)n1 O=C([O-])[*:1] Clc1cccc(c1)-c1nc(cc(n1)N1CCCC[C@@H]1[*:1])-c1ccccc1
O=C([O-])[C@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] O=C([O-])[C@H]1CCCCN1c1cc(nc(n1)[*:1])-c1ccccc1
O=C([O-])[C@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2cccc(Cl)c2)n1 c1ccc(cc1)[*:1] O=C([O-])[C@H]1CCCCN1c1cc(nc(n1)-c1cccc(Cl)c1)[*:1]
O=C(Cn1cnc2cc(F)c(F)cc21)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] O=C(Cn1cnc2cc(F)c(F)cc21)N([C@@H]1CCS(=O)(=O)C1)[*:1]
N#Cc1ccccc1-c1c(-c2ccccc2)ncn1[C@@H]1CCSC1 c1ccc(cc1)[*:1] N#Cc1ccccc1-c1c(ncn1[C@@H]1CCSC1)[*:1]
N#Cc1ccccc1-c1c(-c2ccccc2)ncn1[C@@H]1CCSC1 N#Cc1ccccc1[*:1] c1ccc(cc1)-c1ncn(c1[*:1])[C@@H]1CCSC1
CC(C)COC(=O)C1C[C@H](C)O[C@@H](C)C1 CC(C)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)O[*:1]
CC(C)COC(=O)C1C[C@H](C)O[C@@H](C)C1 CC(C)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)OC[*:1]
CCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2OC)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)Nc1cccc(Cl)c1OC
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 Oc1ccc(cc1Cl)[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(O)c(Cl)c1
CCOc1ccccc1C(=O)NCc1cc(-c2ccc(F)cc2)on1 Fc1ccc(cc1)[*:1] CCOc1ccccc1C(=O)NCc1cc(on1)[*:1]
CCOc1ccccc1C(=O)NCc1cc(-c2ccc(F)cc2)on1 CCO[*:1] O=C(NCc1cc(on1)-c1ccc(F)cc1)c1ccccc1[*:1]
CN(CCC#N)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 N#CCC[*:1] CN(C(=O)c1cccc(c1)NC(=O)[C@H]1CCCO1)[*:1]
CN(CCC#N)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CN(CCC#N)C(=O)c1cccc(c1)NC(=O)[*:1]
CN(CCC#N)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 N#CC[*:1] CN(C[*:1])C(=O)c1cccc(c1)NC(=O)[C@H]1CCCO1
O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]([NH+]3CCCC3)C2)cc1 O=[N+]([O-])[*:1] c1cc(ccc1OCCCN1CCC[C@@H](C1)[NH+]1CCCC1)[*:1]
O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2O)nc1 O=[N+]([O-])[*:1] O[C@H]1CCCC[C@@H]1Nc1ccc(cn1)[*:1]
C/C(=C/C(=O)O[C@H](C)c1ccccn1)c1ccccc1 c1ccc(nc1)[*:1] C/C(=C/C(=O)O[C@H](C)[*:1])c1ccccc1
C/C(=C/C(=O)O[C@H](C)c1ccccn1)c1ccccc1 c1ccc(cc1)[*:1] CC(=CC(=O)O[C@H](C)c1ccccn1)[*:1]
Cc1cc(SC2COC2)ccc1C[NH2+]C(C)C C1OCC1[*:1] Cc1cc(ccc1C[NH2+]C(C)C)S[*:1]
Cc1cc(SC2COC2)ccc1C[NH2+]C(C)C CC(C)[NH2+]C[*:1] Cc1cc(ccc1[*:1])SC1COC1
Cc1cc(SC2COC2)ccc1C[NH2+]C(C)C CC(C)[*:1] Cc1cc(ccc1C[NH2+][*:1])SC1COC1
Cc1cc(SC2COC2)ccc1C[NH2+]C(C)C C1OCC1S[*:1] Cc1cc(ccc1C[NH2+]C(C)C)[*:1]
O=C(CS(=O)(=O)Cc1nccn1Cc1ccccc1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CS(=O)(=O)Cc1nccn1Cc1ccccc1)N[*:1]
O=C(CS(=O)(=O)Cc1nccn1Cc1ccccc1)NC1CCCC1 c1ccc(cc1)C[*:1] O=C(CS(=O)(=O)Cc1nccn1[*:1])NC1CCCC1
O=C(CS(=O)(=O)Cc1nccn1Cc1ccccc1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=S(=O)(Cc1nccn1Cc1ccccc1)C[*:1]
O=C(CS(=O)(=O)Cc1nccn1Cc1ccccc1)NC1CCCC1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)Cc1nccn1C[*:1])NC1CCCC1
CCCN(Cc1ccc(C)cc1)C(=O)Cc1nc2nc(C)cc(C)n2n1 CCC[*:1] Cc1ccc(cc1)CN(C(=O)Cc1nc2nc(C)cc(C)n2n1)[*:1]
CCCN(Cc1ccc(C)cc1)C(=O)Cc1nc2nc(C)cc(C)n2n1 Cc1ccc(cc1)C[*:1] CCCN(C(=O)Cc1nc2nc(C)cc(C)n2n1)[*:1]
CCCN(Cc1ccc(C)cc1)C(=O)Cc1nc2nc(C)cc(C)n2n1 Cc1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)Cc1nc2nc(C)cc(C)n2n1
CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 CN(C)C(=O)[*:1] O=C([C@H]1COc2ccccc2O1)N1CC[NH+](CC1)[C@@H](c1ccccc1)[*:1]
CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H]([NH+]1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1)[*:1]
CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 c1ccc2O[C@H](COc2c1)[*:1] CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(CC1)C(=O)[*:1]
CC[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] CC[C@@H](OC(=O)C1=Cc2ccccc2OC1)[*:1]
CC[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CC[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)N[*:1]
Cc1ccc(CCNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cc1 Cc1ccc(cc1)[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)NCC[*:1]
Cc1ccc(CCNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cc1 Cc1ccc(cc1)C[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)NC[*:1]
O=C(Cc1ccc(F)cc1)O[C@@H](c1ccccc1)c1ccccn1 Fc1ccc(cc1)C[*:1] O=C(O[C@@H](c1ccccc1)c1ccccn1)[*:1]
O=C(Cc1ccc(F)cc1)O[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)O[C@@H](c1ccccn1)[*:1]
O=C(Cc1ccc(F)cc1)O[C@@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(Cc1ccc(F)cc1)O[C@@H](c1ccccc1)[*:1]
O=C(Cc1ccc(F)cc1)O[C@@H](c1ccccc1)c1ccccn1 Fc1ccc(cc1)[*:1] O=C(C[*:1])O[C@@H](c1ccccc1)c1ccccn1
Cn1c(CSCc2ccccc2)nnc1SCC(N)=O c1ccc(cc1)[*:1] Cn1c(CSC[*:1])nnc1SCC(N)=O
Cn1c(CSCc2ccccc2)nnc1SCC(N)=O NC(=O)[*:1] Cn1c(CSCc2ccccc2)nnc1SC[*:1]
Cn1c(CSCc2ccccc2)nnc1SCC(N)=O NC(=O)CS[*:1] Cn1c(CSCc2ccccc2)nnc1[*:1]
Cn1c(CSCc2ccccc2)nnc1SCC(N)=O NC(=O)C[*:1] Cn1c(CSCc2ccccc2)nnc1S[*:1]
Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2nc3nc(C)cc(C)n3n2)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1nc2nc(C)cc(C)n2n1
Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2nc3nc(C)cc(C)n3n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)n2nc(nc2n1)N(Cc1ccc(C#N)cc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2nc3nc(C)cc(C)n3n2)cc1 N#Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1nc2nc(C)cc(C)n2n1)[*:1]
COc1cc(C[NH2+][C@H](C)c2c(C)noc2C)cc(OC)c1 Cc1noc(C)c1[*:1] COc1cc(cc(c1)OC)C[NH2+][C@H](C)[*:1]
CN(C)C(=O)c1ccc(N2CC[C@H](CO)C2)nn1 CN(C)C(=O)[*:1] OC[C@H]1CCN(C1)c1ccc(nn1)[*:1]
N#Cc1ccc(/C=C/C[NH2+]C2CCCCC2)cc1 C1CCC(CC1)[*:1] N#Cc1ccc(/C=C/C[NH2+][*:1])cc1
C[C@@]1(CO)CCC[C@H]1NC(=O)C[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@]1(CO)CCC[C@H]1NC(=O)C[C@H](O)[*:1]
CCCCOc1ccc(/C=C/C(=O)N2CCC[C@H](O)C2)cc1OC CCC[*:1] COc1cc(/C=C/C(=O)N2CCC[C@H](O)C2)ccc1OC[*:1]
CCCCOc1ccc(/C=C/C(=O)N2CCC[C@H](O)C2)cc1OC CCCC[*:1] COc1cc(/C=C/C(=O)N2CCC[C@H](O)C2)ccc1O[*:1]
CCCCOc1ccc(/C=C/C(=O)N2CCC[C@H](O)C2)cc1OC CCCCO[*:1] COc1cc(/C=C/C(=O)N2CCC[C@H](O)C2)ccc1[*:1]
Cc1c(C(=O)N[C@H](CO)C(C)C)oc2c(F)cccc12 CC(C)[C@@H](CO)[*:1] Cc1c(oc2c(F)cccc12)C(=O)N[*:1]
Cc1c(C(=O)N[C@H](CO)C(C)C)oc2c(F)cccc12 CC(C)[*:1] Cc1c(oc2c(F)cccc12)C(=O)N[C@H](CO)[*:1]
Cn1c(C[C@@]2(C(C)(C)C)CCC[NH2+]2)nc2ccccc21 CC(C)(C)[*:1] Cn1c(C[C@]2(CCC[NH2+]2)[*:1])nc2ccccc21
CC(C)c1cc(C(=O)N2CCc3ccc(Cl)cc32)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)N1CCc2ccc(Cl)cc21
c1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] c1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(cc1)[*:1]
Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc(C)c(F)c3)n[nH]2)o1 Cc1ccc(o1)[*:1] Cc1ccc(cc1F)NC(=O)CSc1n[nH]c(n1)NN=C[*:1]
Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc(C)c(F)c3)n[nH]2)o1 Cc1ccc(cc1F)[*:1] Cc1ccc(/C=N/Nc2nc(n[nH]2)SCC(=O)N[*:1])o1
Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc(C)c(F)c3)n[nH]2)o1 Cc1ccc(/C=N/N[*:1])o1 Cc1ccc(cc1F)NC(=O)CSc1n[nH]c(n1)[*:1]
COc1ccc(CNC2(C(N)=O)CCCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CNC1(CCCCC1)C(N)=O
COc1ccc(CNC2(C(N)=O)CCCCC2)cc1[N+](=O)[O-] NC(=O)[*:1] COc1ccc(cc1[N+](=O)[O-])CNC1(CCCCC1)[*:1]
CCC(C)(C)Oc1cc(C)ccc1CNS(=O)(=O)CC#N N#CC[*:1] CCC(C)(C)Oc1cc(C)ccc1CNS(=O)(=O)[*:1]
CCC(C)(C)Oc1cc(C)ccc1CNS(=O)(=O)CC#N CCC(C)(C)O[*:1] Cc1ccc(CNS(=O)(=O)CC#N)c(c1)[*:1]
CCC(C)(C)Oc1cc(C)ccc1CNS(=O)(=O)CC#N CCC(C)(C)[*:1] Cc1ccc(CNS(=O)(=O)CC#N)c(c1)O[*:1]
CCC(C)(C)Oc1cc(C)ccc1CNS(=O)(=O)CC#N N#CCS(=O)(=O)N[*:1] CCC(C)(C)Oc1cc(C)ccc1C[*:1]
N=C1S[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC(=O)N1/N=C/c1ccc(Cl)cc1 O=C([O-])[*:1] N=C1S[C@H](CC(=O)N1/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)[*:1]
N=C1S[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC(=O)N1/N=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N=C1S[C@H](CC(=O)N1N=C[*:1])C(=O)Nc1ccc(cc1)C(=O)[O-]
N=C1S[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC(=O)N1/N=C/c1ccc(Cl)cc1 O=C([O-])c1ccc(cc1)[*:1] N=C1S[C@H](CC(=O)N1/N=C/c1ccc(Cl)cc1)C(=O)N[*:1]
CCc1ccc(C(=O)N[C@H](C)COC)cc1[N+](=O)[O-] COC[C@@H](C)[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
CCc1ccc(C(=O)N[C@H](C)COC)cc1[N+](=O)[O-] COC[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)N[C@H](C)[*:1]
CCc1ccc(C(=O)N[C@H](C)COC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])C(=O)N[C@H](C)COC
Cc1ccc(Nc2nnc(SCc3nc4sc(C(=O)[O-])c(C)c4c(=O)[nH]3)s2)cc1C Cc1ccc(cc1C)[*:1] Cc1c(sc2nc(CSc3nnc(N[*:1])s3)[nH]c(=O)c12)C(=O)[O-]
Cc1ccc(Nc2nnc(SCc3nc4sc(C(=O)[O-])c(C)c4c(=O)[nH]3)s2)cc1C O=C([O-])[*:1] Cc1ccc(cc1C)Nc1nnc(SCc2nc3sc(c(C)c3c(=O)[nH]2)[*:1])s1
Cc1ccc(Nc2nnc(SCc3nc4sc(C(=O)[O-])c(C)c4c(=O)[nH]3)s2)cc1C Cc1ccc(cc1C)N[*:1] Cc1c(sc2nc(CSc3nnc(s3)[*:1])[nH]c(=O)c12)C(=O)[O-]
O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc(n[nH]1)[*:1])N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc(n[nH]1)-c1ccccc1)N1CCN(CC1)S(=O)(=O)C=C[*:1]
O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(CSc1nc(n[nH]1)-c1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1nccc2ccccc12 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])NCc1nccc2ccccc12
C[C@H]([NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1)C1CCOCC1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@H]1CCCC[C@@H]1OC[*:1])C1CCOCC1
C[C@H]([NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H]([NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1)[*:1]
C[C@H]([NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1)C1CCOCC1 c1ccc(cc1)C[*:1] C[C@H]([NH2+][C@H]1CCCC[C@@H]1O[*:1])C1CCOCC1
Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)c3cnn(C(C)C)c3n2)s1 Cc1ccc(s1)[*:1] Cc1ccc(cc1S(N)(=O)=O)NC(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)c3cnn(C(C)C)c3n2)s1 CC(C)[*:1] Cc1ccc(s1)-c1cc(C(=O)Nc2ccc(C)c(c2)S(N)(=O)=O)c2cnn(c2n1)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)c3cnn(C(C)C)c3n2)s1 NS(=O)(=O)[*:1] Cc1ccc(s1)-c1cc(C(=O)Nc2ccc(C)c(c2)[*:1])c2cnn(c2n1)C(C)C
CC(C)c1ccc(OCC(=O)N2CCOC23CCCCC3)cc1 CC(C)[*:1] O=C(COc1ccc(cc1)[*:1])N1CCOC12CCCCC2
CC[C@@H](C)NC(=O)[C@@H](C)n1c2ccccc2c2cnn(C)c(=O)c21 CC[C@@H](C)[*:1] C[C@H](C(=O)N[*:1])n1c2ccccc2c2cnn(C)c(=O)c21
CC[C@@H](C)NC(=O)[C@@H](C)n1c2ccccc2c2cnn(C)c(=O)c21 CC[C@@H](C)NC(=O)[*:1] C[C@@H](n1c2ccccc2c2cnn(C)c(=O)c21)[*:1]
COCc1ccccc1CNC(=O)CCn1nc2ccccn2c1=O COC[*:1] O=C(CCn1nc2ccccn2c1=O)NCc1ccccc1[*:1]
CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1[*:1]
O=C(Nc1c(-c2ccc(Cl)cc2)nc2ncccn12)c1cccs1 Clc1ccc(cc1)[*:1] O=C(Nc1c(nc2ncccn12)[*:1])c1cccs1
O=C(Nc1c(-c2ccc(Cl)cc2)nc2ncccn12)c1cccs1 O=C(N[*:1])c1cccs1 Clc1ccc(cc1)-c1nc2ncccn2c1[*:1]
O=C(Nc1c(-c2ccc(Cl)cc2)nc2ncccn12)c1cccs1 c1csc(c1)[*:1] O=C(Nc1c(nc2ncccn12)-c1ccc(Cl)cc1)[*:1]
CCOc1ccccc1C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 O=C(NC1CCCCC1)[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)C[*:1]
CCOc1ccccc1C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 CCO[*:1] O=C(CN1CCN(CC1)C(=O)c1ccccc1[*:1])NC1CCCCC1
CCOc1ccccc1C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 CCOc1ccccc1[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])NC1CCCCC1
CCOc1ccccc1C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)CC(=O)N[*:1]
C=CCn1c(C2CC2)nn(CN2C[C@H](C)O[C@H](C)C2)c1=S C=CC[*:1] C[C@H]1CN(C[C@@H](C)O1)Cn1nc(C2CC2)n(c1=S)[*:1]
C=CCn1c(C2CC2)nn(CN2C[C@H](C)O[C@H](C)C2)c1=S C1CC1[*:1] C=CCn1c(nn(CN2C[C@H](C)O[C@H](C)C2)c1=S)[*:1]
CN(Cc1ccco1)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 c1coc(c1)C[*:1] CN(C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1)[*:1]
CN(Cc1ccco1)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 c1coc(c1)[*:1] CN(C[*:1])C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1
CN(Cc1ccco1)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 CN(Cc1ccco1)C(=O)[*:1] Brc1ccc(cc1)-n1c(nnc1-c1cccnc1)SC[*:1]
CN(Cc1ccco1)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 c1cncc(c1)[*:1] CN(Cc1ccco1)C(=O)CSc1nnc(n1-c1ccc(Br)cc1)[*:1]
CN(Cc1ccco1)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CN(Cc1ccco1)C(=O)CSc1nnc(-c2cccnc2)n1[*:1]
COC(=O)c1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)nc1 COC(=O)[*:1] c1cc(CN2CCO[C@@H]3CCCC[C@@H]32)ncc1[*:1]
N#Cc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1O O=C([O-])[*:1] N#Cc1ccc(cc1O)-c1cc(F)cc(c1)[*:1]
COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1C(N)=O NC(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1C[C@H](C)O[C@H](C)C1
Cc1ccc(CSCC(=O)NCc2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] O=C(CSC[*:1])NCc1ccc2OCOc2c1
NC(=O)C[C@@H](NC(=O)Cn1cnc2ccccc21)C(=O)[O-] NC(=O)C[*:1] O=C(Cn1cnc2ccccc21)N[C@@H](C(=O)[O-])[*:1]
NC(=O)C[C@@H](NC(=O)Cn1cnc2ccccc21)C(=O)[O-] O=C([O-])[*:1] NC(=O)C[C@@H](NC(=O)Cn1cnc2ccccc21)[*:1]
NC(=O)C[C@@H](NC(=O)Cn1cnc2ccccc21)C(=O)[O-] NC(=O)[*:1] O=C(Cn1cnc2ccccc21)N[C@H](C[*:1])C(=O)[O-]
O=C1CCCCN1CN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] O=C1CCCCN1CN1CCN(CC1)[C@H]1CCN(C1=O)[*:1]
O=C1CCCCN1CN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 O=C1CCCCN1C[*:1] O=C1[C@H](CCN1c1ccccc1)N1CCN(CC1)[*:1]
O=C1CCCCN1CN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 O=C1CCCCN1[*:1] O=C1[C@H](CCN1c1ccccc1)N1CCN(CC1)C[*:1]
CC(=O)Nc1cccc(CN2C[C@H](C)C(=O)Nc3ccccc32)c1 CC(=O)N[*:1] C[C@H]1CN(Cc2cccc(c2)[*:1])c2ccccc2NC1=O
CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1Cl CC(=O)N[*:1] Cc1noc2nc(cc(C(=O)Nc3ccc(c(Cl)c3)[*:1])c12)-c1ccco1
CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1Cl c1coc(c1)[*:1] CC(=O)Nc1ccc(cc1Cl)NC(=O)c1cc(nc2onc(C)c12)[*:1]
O=C(NCc1ccco1)c1cccc(CNc2ccc(F)cc2)c1 Fc1ccc(cc1)N[*:1] O=C(NCc1ccco1)c1cccc(c1)C[*:1]
O=C(NCc1ccco1)c1cccc(CNc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] O=C(NCc1ccco1)c1cccc(c1)CN[*:1]
O=C(NCc1ccco1)c1cccc(CNc2ccc(F)cc2)c1 c1coc(c1)C[*:1] O=C(N[*:1])c1cccc(c1)CNc1ccc(F)cc1
O=C(NCc1ccco1)c1cccc(CNc2ccc(F)cc2)c1 c1coc(c1)[*:1] O=C(NC[*:1])c1cccc(c1)CNc1ccc(F)cc1
Cc1ccc(C2=NO[C@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C[C@H]23)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)N1C[C@@H]2ON=C([C@H]2C1)[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl CC(C)[*:1] O=[N+]([O-])c1cnc(c(Cl)c1)N1CCC[C@H]1c1nncn1C[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CC(C)Cn1cnnc1[C@@H]1CCCN1c1ncc(cc1Cl)[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl CC(C)C[*:1] O=[N+]([O-])c1cnc(c(Cl)c1)N1CCC[C@H]1c1nncn1[*:1]
CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]2CC[C@@]2(C)C(/C(C)=N\O)=CC[C@H]32)C1 CC(=NO)[*:1] CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]2CC[C@@]2(C)C(=CC[C@H]32)[*:1])C1
CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]2CC[C@@]2(C)C(/C(C)=N\O)=CC[C@H]32)C1 CC(=O)O[*:1] C/C(=N/O)C1=CC[C@@H]2[C@H]3CC=C4C[C@H](CC[C@@]4(C)[C@H]3CC[C@@]12C)[*:1]
CCOc1ccc(CCC(=O)N2CCc3ccc(Cl)cc3C2)cc1 CCO[*:1] O=C(CCc1ccc(cc1)[*:1])N1CCc2ccc(Cl)cc2C1
Cc1nc2c(s1)CCc1oc(C(=O)NCc3ccc(Br)cc3)c(C)c1-2 Brc1ccc(cc1)[*:1] Cc1nc2c(CCc3oc(C(=O)NC[*:1])c(C)c3-2)s1
Cc1nc2c(s1)CCc1oc(C(=O)NCc3ccc(Br)cc3)c(C)c1-2 Brc1ccc(cc1)C[*:1] Cc1nc2c(CCc3oc(C(=O)N[*:1])c(C)c3-2)s1
CC1=NN(c2ccc(C(=O)OCCNc3cccnn3)cc2)CC1 c1cnnc(c1)NC[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)OC[*:1]
CC1=NN(c2ccc(C(=O)OCCNc3cccnn3)cc2)CC1 c1cnnc(c1)N[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)OCC[*:1]
CC1=NN(c2ccc(C(=O)OCCNc3cccnn3)cc2)CC1 c1cnnc(c1)[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)OCCN[*:1]
O=C(CCC1CCCCC1)Nc1nnc(C2CCCCC2)s1 C1CCC(CC1)[*:1] O=C(CC[*:1])Nc1nnc(s1)C1CCCCC1
O=C(CCC1CCCCC1)Nc1nnc(C2CCCCC2)s1 C1CCC(CC1)C[*:1] O=C(C[*:1])Nc1nnc(s1)C1CCCCC1
O=C(CCC1CCCCC1)Nc1nnc(C2CCCCC2)s1 C1CCC(CC1)[*:1] O=C(CCC1CCCCC1)Nc1nnc(s1)[*:1]
C[C@@H]1C[C@H]1NC(=O)CCc1cc(Cl)ccc1Br C[C@@H]1C[C@@H]1[*:1] O=C(CCc1cc(Cl)ccc1Br)N[*:1]
O=C1N=N[C@@H](SCc2ccccc2)N2N[C@H](c3cccs3)C[C@@H]12 c1ccc(cc1)C[*:1] O=C1N=N[C@@H](S[*:1])N2N[C@@H](C[C@@H]12)c1cccs1
O=C1N=N[C@@H](SCc2ccccc2)N2N[C@H](c3cccs3)C[C@@H]12 c1ccc(cc1)[*:1] O=C1N=N[C@@H](SC[*:1])N2N[C@@H](C[C@@H]12)c1cccs1
O=C1N=N[C@@H](SCc2ccccc2)N2N[C@H](c3cccs3)C[C@@H]12 c1csc(c1)[*:1] O=C1N=N[C@@H](SCc2ccccc2)N2N[C@H](C[C@@H]12)[*:1]
O=C1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1C1CCCC1 C1CCC(C1)[*:1] O=C1C[C@H](CN1[*:1])c1nc2ccccc2n1C/C=C/c1ccccc1
O=C1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1C1CCCC1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1C1CCCC1)c1nc2ccccc2n1CC=C[*:1]
O=C1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1C1CCCC1 C(=C/c1ccccc1)\C[*:1] O=C1C[C@H](CN1C1CCCC1)c1nc2ccccc2n1[*:1]
O=C1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1C1CCCC1 C(=C[*:1])c1ccccc1 O=C1C[C@H](CN1C1CCCC1)c1nc2ccccc2n1C[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccc(OC)nn3)ccc2C)cc1 CCC(=O)N[*:1] COc1ccc(nn1)-c1ccc(C)c(c1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccc(OC)nn3)ccc2C)cc1 COc1ccc(nn1)[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C)[*:1]
O=C(Nc1cc(Br)ccc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 c1cnn(c1)[*:1] O=C(Nc1cc(Br)ccc1[*:1])[C@H]1CCS(=O)(=O)C1
O=C(Nc1cc(Br)ccc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(Nc1cc(Br)ccc1-n1cccn1)[*:1]
COc1ccc2c(ccn2CC/C([O-])=N/c2nc(CC(C)C)n[nH]2)c1 CC(C)C[*:1] COc1ccc2c(ccn2CC/C([O-])=N/c2nc(n[nH]2)[*:1])c1
COc1ccc2c(ccn2CC/C([O-])=N/c2nc(CC(C)C)n[nH]2)c1 CC(C)[*:1] COc1ccc2c(ccn2CC/C([O-])=N/c2nc(C[*:1])n[nH]2)c1
CCOc1cc(C)c2c(c1)O/C(=C\c1ccccc1OCC)C2=O CCO[*:1] CCOc1ccccc1/C=C1\Oc2cc(cc(C)c2C1=O)[*:1]
CCOc1cc(C)c2c(c1)O/C(=C\c1ccccc1OCC)C2=O CCO[*:1] CCOc1cc(C)c2C(=O)/C(=C/c3ccccc3[*:1])Oc2c1
COc1ccc(OCCN(C)C(=O)c2cnn(-c3ccccc3)n2)cc1 COc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)c1cnn(n1)-c1ccccc1
COc1ccc(OCCN(C)C(=O)c2cnn(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)OCCN(C)C(=O)c1cnn(n1)[*:1]
O=C(c1cnccn1)N1CC[C@H](n2cnnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cnccn1)N1CC[C@@H](C1)n1cnnc1[*:1]
O=C(c1cnccn1)N1CC[C@H](n2cnnc2-c2ccccc2)C1 c1cnc(cn1)[*:1] O=C(N1CC[C@@H](C1)n1cnnc1-c1ccccc1)[*:1]
CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cccc(Br)c21 O=[N+]([O-])[*:1] CCn1/c(=N/C(=O)c2ccc(o2)[*:1])sc2cccc(Br)c21
Cc1cc(C(=O)COC(=O)c2ccc(O)cc2O)c(C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)COC(=O)c2ccc(O)cc2O)c(C)n1[*:1]
Cc1cc(C(=O)COC(=O)c2ccc(O)cc2O)c(C)n1Cc1ccccc1 Oc1ccc(c(O)c1)[*:1] Cc1cc(C(=O)COC(=O)[*:1])c(C)n1Cc1ccccc1
Cc1cc(C(=O)COC(=O)c2ccc(O)cc2O)c(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C(=O)COC(=O)c2ccc(O)cc2O)c(C)n1C[*:1]
Nc1nnc(SC[C@H](O)COc2ccc(Cl)cc2Br)s1 Nc1nnc(s1)[*:1] O[C@H](COc1ccc(Cl)cc1Br)CS[*:1]
O=c1c(-c2ccccc2)c([O-])nc2cnccn12 c1ccc(cc1)[*:1] O=c1c(c([O-])nc2cnccn12)[*:1]
Cc1cc(=O)c(C(=O)N(C)CCOCC2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)N(C)CCOCC1CC1
Cc1cc(=O)c(C(=O)N(C)CCOCC2CC2)nn1-c1ccccc1 C1CC1C[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)N(C)CCO[*:1]
Cc1cc(=O)c(C(=O)N(C)CCOCC2CC2)nn1-c1ccccc1 C1CC1CO[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)N(C)CC[*:1]
Cc1cc(=O)c(C(=O)N(C)CCOCC2CC2)nn1-c1ccccc1 C1CC1[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)N(C)CCOC[*:1]
Cc1cc(=O)c(C(=O)N(C)CCOCC2CC2)nn1-c1ccccc1 C1CC1COC[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)N(C)C[*:1]
Cc1cc(=O)c(C(=O)N(C)CCOCC2CC2)nn1-c1ccccc1 C(C[*:1])OCC1CC1 Cc1cc(=O)c(nn1-c1ccccc1)C(=O)N(C)[*:1]
CNC(=O)NCC(=O)/N=c1/sccn1C CNC(=O)N[*:1] Cn1ccs/c1=N/C(=O)C[*:1]
CNC(=O)CC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 CNC(=O)C[*:1] O=C(c1cc(Cl)cc(Cl)c1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 CNC(=O)[*:1] O=C(c1cc(Cl)cc(Cl)c1)N1CCC(CC1)C[*:1]
COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)N1CCn2cccc2[C@@H]1[*:1]
COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cccc(F)c2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])N1CCn2cccc2[C@H]1c1cccc(F)c1
CCOc1cc(NC(=O)NCC[C@@H](O)c2ccccc2)ccc1C CCO[*:1] Cc1ccc(cc1[*:1])NC(=O)NCC[C@@H](O)c1ccccc1
CCOc1cc(NC(=O)NCC[C@@H](O)c2ccccc2)ccc1C c1ccc(cc1)[*:1] CCOc1cc(ccc1C)NC(=O)NCC[C@@H](O)[*:1]
CCOc1cc(NC(=O)NCC[C@@H](O)c2ccccc2)ccc1C O[C@@H](c1ccccc1)[*:1] CCOc1cc(ccc1C)NC(=O)NCC[*:1]
Cc1ccc(-c2csc(NC=C(C#N)C#N)n2)s1 N#CC(C#N)=C[*:1] Cc1ccc(s1)-c1csc(n1)N[*:1]
Cc1ccc(-c2csc(NC=C(C#N)C#N)n2)s1 Cc1ccc(s1)[*:1] N#CC(C#N)=CNc1nc(cs1)[*:1]
CC(=O)[C@H]1[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N[C@]1(O)C(F)(F)F c1ccc(cc1)[*:1] CC(=O)[C@H]1[C@@H](NC(=O)N[C@]1(O)C(F)(F)F)c1cccc(c1)OC[*:1]
CC(=O)[C@H]1[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N[C@]1(O)C(F)(F)F FC(F)(F)[*:1] CC(=O)[C@H]1[C@@H](NC(=O)N[C@@]1(O)[*:1])c1cccc(c1)OCc1ccccc1
CC(=O)[C@H]1[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N[C@]1(O)C(F)(F)F CC(=O)[*:1] O=C1N[C@@H](c2cccc(c2)OCc2ccccc2)[C@@H]([C@](O)(N1)C(F)(F)F)[*:1]
CC(=O)[C@H]1[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N[C@]1(O)C(F)(F)F c1ccc(cc1)CO[*:1] CC(=O)[C@H]1[C@@H](NC(=O)N[C@]1(O)C(F)(F)F)c1cccc(c1)[*:1]
CC(=O)[C@H]1[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N[C@]1(O)C(F)(F)F c1ccc(cc1)C[*:1] CC(=O)[C@H]1[C@@H](NC(=O)N[C@]1(O)C(F)(F)F)c1cccc(c1)O[*:1]
C[C@@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@H](CO)[*:1])c1ccc(F)c(F)c1
C[C@@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)[*:1]
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCC[NH+]1CCCCCC1 N#Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NCCC[NH+]1CCCCCC1
COc1cccc(N2CCC[C@H](NC(=O)c3cncc(C)c3)C2=O)c1 COc1cccc(c1)[*:1] Cc1cncc(c1)C(=O)N[C@H]1CCCN(C1=O)[*:1]
COc1cccc(N2CCC[C@H](NC(=O)c3cncc(C)c3)C2=O)c1 Cc1cncc(c1)[*:1] COc1cccc(c1)N1CCC[C@H](NC(=O)[*:1])C1=O
CCCS(=O)(=O)c1ccccc1C(=O)NC[C@](C)(O)c1ccsc1 CCCS(=O)(=O)[*:1] C[C@](O)(CNC(=O)c1ccccc1[*:1])c1ccsc1
CCCS(=O)(=O)c1ccccc1C(=O)NC[C@](C)(O)c1ccsc1 CCC[*:1] C[C@](O)(CNC(=O)c1ccccc1S(=O)(=O)[*:1])c1ccsc1
CCCS(=O)(=O)c1ccccc1C(=O)NC[C@](C)(O)c1ccsc1 c1cc(cs1)[*:1] CCCS(=O)(=O)c1ccccc1C(=O)NC[C@](C)(O)[*:1]
CCCNc1ncc(F)c(-c2ccc(C)c(C)c2)n1 CCC[*:1] Cc1ccc(cc1C)-c1nc(ncc1F)N[*:1]
CCCNc1ncc(F)c(-c2ccc(C)c(C)c2)n1 CCCN[*:1] Cc1ccc(cc1C)-c1nc(ncc1F)[*:1]
C#CCNC(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 Cc1ccc(nc1)[*:1] C#CCNC(=O)N1CCC(CC1)C(=O)N[*:1]
C#CCNC(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 C#CC[*:1] Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)N[*:1]
CC(C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1F c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)Cc1c(F)cccc1F
CC(C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1F CC(C)[*:1] O=C(Cc1c(F)cccc1F)N(Cc1ccccc1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1F c1ccc(cc1)C[*:1] CC(C)N(C(=O)Cc1c(F)cccc1F)[*:1]
C[C@@H](NC(=O)NC[C@@H]1CCO[C@@H]1C(C)(C)C)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NC[C@@H]1CCO[C@@H]1C(C)(C)C)[C@H](C)[*:1]
C[C@@H](NC(=O)NC[C@@H]1CCO[C@@H]1C(C)(C)C)[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](NC(=O)NC[C@@H]1CCO[C@@H]1C(C)(C)C)[*:1]
C[C@@H](NC(=O)NC[C@@H]1CCO[C@@H]1C(C)(C)C)[C@H](C)c1ccccc1 CC(C)(C)[*:1] C[C@@H](NC(=O)NC[C@@H]1CCO[C@H]1[*:1])[C@H](C)c1ccccc1
CC1CCN(C(=O)C2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)CC1 CC1CCN(CC1)C(=O)[*:1] c1cc(ncc1C[NH+]1CCC(CC1)[*:1])N1CCCC1
CC1CCN(C(=O)C2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)CC1 C1CCN(C1)[*:1] CC1CCN(CC1)C(=O)C1CC[NH+](CC1)Cc1ccc(nc1)[*:1]
Clc1cc(CN2CCc3c([nH+]cn3C3CC3)C2)c2ncccc2c1 C1CC1[*:1] Clc1cc(CN2CCc3c(C2)[nH+]cn3[*:1])c2ncccc2c1
CNC(=O)c1cccc(CC[NH2+][C@@H](C)Cn2cnc(C)c2C)c1 CNC(=O)[*:1] Cc1ncn(C[C@H](C)[NH2+]CCc2cccc(c2)[*:1])c1C
CNC(=O)c1cccc(CC[NH2+][C@@H](C)Cn2cnc(C)c2C)c1 Cc1ncn(c1C)[*:1] CNC(=O)c1cccc(c1)CC[NH2+][C@@H](C)C[*:1]
N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1ccccc1Cl)C(=O)N[*:1]
C[C@H]1C[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@H]1NC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
O=C(CN1CCCOC1=O)NCC1(c2ccccc2F)CC1 O=C1OCCCN1[*:1] O=C(C[*:1])NCC1(CC1)c1ccccc1F
O=C(CN1CCCOC1=O)NCC1(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CN1CCCOC1=O)NCC1(CC1)[*:1]
CCC[C@@H](C)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C CCC[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)[C@H](C)[*:1]
CCC[C@@H](C)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C CCC[C@@H](C)[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)[*:1]
CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(OC)cc3)C2)c1 CCS(=O)(=O)N[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1S(C)(=O)=O)c1cccc(c1)[*:1]
CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(OC)cc3)C2)c1 COc1ccc(cc1)[*:1] CCS(=O)(=O)Nc1cccc(c1)C1C[C@@H](N(N=1)S(C)(=O)=O)[*:1]
CCN1CCn2c(nc3cc(C(=O)NCC4CCCCC4)ccc32)C1=O C1CCC(CC1)[*:1] CCN1CCn2c(nc3cc(ccc32)C(=O)NC[*:1])C1=O
CCN1CCn2c(nc3cc(C(=O)NCC4CCCCC4)ccc32)C1=O C1CCC(CC1)C[*:1] CCN1CCn2c(nc3cc(ccc32)C(=O)N[*:1])C1=O
CCSc1ccccc1C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CCSc1ccccc1C(=O)N(C)Cc1nc(no1)[*:1]
CCSc1ccccc1C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 CCS[*:1] CN(Cc1nc(no1)-c1ccc(Cl)cc1)C(=O)c1ccccc1[*:1]
Cc1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)Oc1ccc(cc1C#N)[*:1]
CC[C@@H](CSC)N(C)C(=O)Nc1ccc(Oc2ncccn2)cc1 c1cnc(nc1)O[*:1] CC[C@@H](CSC)N(C)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](CSC)N(C)C(=O)Nc1ccc(Oc2ncccn2)cc1 CSC[*:1] CC[C@@H](N(C)C(=O)Nc1ccc(cc1)Oc1ncccn1)[*:1]
CC[C@@H](CSC)N(C)C(=O)Nc1ccc(Oc2ncccn2)cc1 c1cnc(nc1)[*:1] CC[C@@H](CSC)N(C)C(=O)Nc1ccc(cc1)O[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCC2)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc2CCCc2c1)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1nnc2ccccc21 O=[N+]([O-])[*:1] FC(F)(F)c1ccc(c(c1)[*:1])-n1nnc2ccccc21
O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1nnc2ccccc21 FC(F)(F)[*:1] O=[N+]([O-])c1cc(ccc1-n1nnc2ccccc21)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cnn[nH]1 CC(C)[*:1] O=C(N[C@H](Cc1ccc(F)cc1)[*:1])c1cnn[nH]1
Cc1ccnc(C[C@H](C)N(C)C(=O)c2ccc3c(c2)=[NH+][C@@H](C)[NH+]=3)c1 Cc1ccnc(c1)[*:1] C[C@H]1[NH+]=c2ccc(cc2=[NH+]1)C(=O)N(C)[C@@H](C)C[*:1]
Cc1ccnc(C[C@H](C)N(C)C(=O)c2ccc3c(c2)=[NH+][C@@H](C)[NH+]=3)c1 Cc1ccnc(c1)C[*:1] C[C@H]1[NH+]=c2ccc(cc2=[NH+]1)C(=O)N(C)[C@@H](C)[*:1]
COc1ccc(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)CNC(=O)C1CCN(CC1)C(=O)[*:1]
COc1ccc(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)NC[*:1]
COc1ccccc1-c1noc(CSC2[NH+]=c3ccccc3=[NH+]2)n1 COc1ccccc1[*:1] c1ccc2=[NH+]C([NH+]=c2c1)SCc1nc(no1)[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)N(C)[C@@H](C)[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)N(C)[C@@H](C)C[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O Cc1ccccc1[*:1] C[C@@H](CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)O[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O C[C@@H](CS(C)(=O)=O)[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)N(C)[*:1]
COc1ccc(-c2nn(CN(C)Cc3nccs3)c(=S)n2C)cc1 CN(Cc1nccs1)[*:1] COc1ccc(cc1)-c1nn(C[*:1])c(=S)n1C
COc1ccc(-c2nn(CN(C)Cc3nccs3)c(=S)n2C)cc1 COc1ccc(cc1)[*:1] CN(Cc1nccs1)Cn1nc(n(C)c1=S)[*:1]
COc1ccc(-c2nn(CN(C)Cc3nccs3)c(=S)n2C)cc1 c1csc(C[*:1])n1 COc1ccc(cc1)-c1nn(CN(C)[*:1])c(=S)n1C
COc1ccc(-c2nn(CN(C)Cc3nccs3)c(=S)n2C)cc1 c1csc(n1)[*:1] COc1ccc(cc1)-c1nn(CN(C)C[*:1])c(=S)n1C
COc1ccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccc(C)cc4)no3)c2N)cc1Cl COc1ccc(cc1Cl)[*:1] CSc1nn(CC(=O)N[*:1])c(N)c1-c1nc(no1)-c1ccc(C)cc1
COc1ccc(NC(=O)Cn2nc(SC)c(-c3nc(-c4ccc(C)cc4)no3)c2N)cc1Cl Cc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1nc(SC)c(-c2nc(no2)[*:1])c1N
Cc1cccc(-c2noc(CN(C#N)c3ccc(F)c([N+](=O)[O-])c3)n2)c1 Cc1cccc(c1)[*:1] N#CN(Cc1nc(no1)[*:1])c1ccc(F)c(c1)[N+](=O)[O-]
Cc1cccc(-c2noc(CN(C#N)c3ccc(F)c([N+](=O)[O-])c3)n2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)-c1noc(CN(C#N)c2ccc(F)c(c2)[*:1])n1
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NC[C@@H]2CCCO2)cs1 C1CO[C@@H](C1)C[*:1] CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[*:1])cs1
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NC[C@@H]2CCCO2)cs1 C1CO[C@@H](C1)[*:1] CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NC[*:1])cs1
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NC[C@@H]2CCCO2)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(/C=C/C(=O)NC[C@@H]2CCCO2)cs1)[*:1]
CC(NNC(=S)Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O c1ccc(cc1)[*:1] CC(NNC(=S)N[*:1])=C1C(=O)N(C)C(=O)N(C)C1=O
Cc1ccccc1CC(=O)NCCCC1CCCC1 C1CCC(C1)[*:1] Cc1ccccc1CC(=O)NCCC[*:1]
Cc1ccccc1CC(=O)NCCCC1CCCC1 C1CCC(C1)C[*:1] Cc1ccccc1CC(=O)NCC[*:1]
O=C(Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(Cn1c(nc2ccccc21)C(=O)c1cccc(F)c1)N[*:1]
O=C(Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21)NCc1ccc(Cl)cc1 Fc1cccc(c1)[*:1] O=C(Cn1c(nc2ccccc21)C(=O)[*:1])NCc1ccc(Cl)cc1
O=C(Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cn1c(nc2ccccc21)C(=O)c1cccc(F)c1)NC[*:1]
O=C(Cn1c(C(=O)c2cccc(F)c2)nc2ccccc21)NCc1ccc(Cl)cc1 O=C(c1cccc(F)c1)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])NCc1ccc(Cl)cc1
CC(=O)NCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 CC(=O)NC[*:1] FC(F)(F)Oc1ccc(cc1)-c1noc(n1)[*:1]
CC(=O)NCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 FC(F)(F)[*:1] CC(=O)NCc1nc(no1)-c1ccc(cc1)O[*:1]
CC(=O)NCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 CC(=O)N[*:1] FC(F)(F)Oc1ccc(cc1)-c1noc(C[*:1])n1
CC(=O)NCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 FC(F)(F)O[*:1] CC(=O)NCc1nc(no1)-c1ccc(cc1)[*:1]
O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@H]1CCn1cc[nH+]c1 C1CC1[*:1] O=C([O-])[C@]1(CCC[C@H]1CCn1cc[nH+]c1)[NH2+][*:1]
O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@H]1CCn1cc[nH+]c1 O=C([O-])[*:1] c1cn(c[nH+]1)CC[C@@H]1CCC[C@@]1([NH2+]C1CC1)[*:1]
N#Cc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccccc1)C1CC1 N#Cc1ccccc1[*:1] O=C(NC[C@@](O)(c1ccccc1)C1CC1)C(=O)N[*:1]
N#Cc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccccc1)C1CC1 C1CC1[*:1] N#Cc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccccc1)[*:1]
N#Cc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccccc1)C1CC1 c1ccc(cc1)[*:1] N#Cc1ccccc1NC(=O)C(=O)NC[C@@](O)(C1CC1)[*:1]
CN1C(=O)c2ccccc2Sc2cc(NC(=O)[C@@H]3CCCO3)ccc21 O=C(N[*:1])[C@@H]1CCCO1 CN1C(=O)c2ccccc2Sc2cc(ccc21)[*:1]
CC(C)NC(=O)c1ccc(NC(=O)c2cnns2)cc1 c1nnsc1[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)NC(=O)c1ccc(NC(=O)c2cnns2)cc1 CC(C)NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cnns1
CC(C)NC(=O)c1ccc(NC(=O)c2cnns2)cc1 CC(C)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1cnns1
Cc1nc(C)n(Cc2cccc(NC(=O)[C@H](NC(N)=O)C(C)C)c2)n1 Cc1nc(C)n(C[*:1])n1 CC(C)[C@@H](NC(N)=O)C(=O)Nc1cccc(c1)[*:1]
Cc1nc(C)n(Cc2cccc(NC(=O)[C@H](NC(N)=O)C(C)C)c2)n1 CC(C)[C@@H](NC(N)=O)[*:1] Cc1nc(C)n(Cc2cccc(c2)NC(=O)[*:1])n1
Cc1nc(C)n(Cc2cccc(NC(=O)[C@H](NC(N)=O)C(C)C)c2)n1 NC(=O)N[*:1] Cc1nc(C)n(Cc2cccc(c2)NC(=O)[C@H](C(C)C)[*:1])n1
Cc1nc(C)n(Cc2cccc(NC(=O)[C@H](NC(N)=O)C(C)C)c2)n1 CC(C)[*:1] Cc1nc(C)n(Cc2cccc(c2)NC(=O)[C@H](NC(N)=O)[*:1])n1
Cc1nc(C)n(Cc2cccc(NC(=O)[C@H](NC(N)=O)C(C)C)c2)n1 Cc1nc(C)n(n1)[*:1] CC(C)[C@@H](NC(N)=O)C(=O)Nc1cccc(c1)C[*:1]
C[C@@H](C(=O)NCC1CCCCC1)[S@](=O)Cc1ccccc1F C1CCC(CC1)[*:1] C[C@@H](C(=O)NC[*:1])[S@](=O)Cc1ccccc1F
C[C@@H](C(=O)NCC1CCCCC1)[S@](=O)Cc1ccccc1F Fc1ccccc1[*:1] C[C@@H](C(=O)NCC1CCCCC1)[S@](=O)C[*:1]
C[C@@H](C(=O)NCC1CCCCC1)[S@](=O)Cc1ccccc1F C1CCC(CC1)C[*:1] C[C@@H](C(=O)N[*:1])[S@](=O)Cc1ccccc1F
COc1ccc([C@H](CNC(=O)c2cc(F)c(F)cc2Cl)[NH+]2CCCCC2)cc1 Fc1cc(Cl)c(cc1F)[*:1] COc1ccc(cc1)[C@H](CNC(=O)[*:1])[NH+]1CCCCC1
COc1ccc([C@H](CNC(=O)c2cc(F)c(F)cc2Cl)[NH+]2CCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCCC1)[*:1])c1cc(F)c(F)cc1Cl
C[C@H]1OCC[C@H]1C(=O)NCc1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@H]1OCC[C@H]1C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(N2C[C@@H](C(=O)Nn3cnc4c(cnn4-c4cccc(Cl)c4)c3=O)CC2=O)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nn1cnc2c(cnn2[*:1])c1=O
COc1ccc(N2C[C@@H](C(=O)Nn3cnc4c(cnn4-c4cccc(Cl)c4)c3=O)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)[C@H]1CC(=O)N(C1)[*:1]
CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@@H](O)c1ccccc1 Fc1cccc(c1)[*:1] CN(CCCc1cc(n[nH]1)[*:1])C(=O)[C@@H](O)c1ccccc1
CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCc1cc(n[nH]1)-c1cccc(F)c1)C(=O)[C@@H](O)[*:1]
CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] CN(CCCc1cc(n[nH]1)-c1cccc(F)c1)C(=O)[*:1]
Cc1ccc(NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl Cc1ccc(cc1Cl)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)S(N)(=O)=O
Cc1ccc(NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl NS(=O)(=O)[*:1] Cc1ccc(cc1Cl)NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1c(C[NH2+][C@@H](C)c2nccs2)oc2ccccc12 c1csc(n1)[*:1] Cc1c(C[NH2+][C@@H](C)[*:1])oc2ccccc12
CNC(=O)COc1ccc(C(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)cc1OC CNC(=O)[*:1] COc1cc(ccc1OC[*:1])C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32
CNC(=O)COc1ccc(C(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)cc1OC CNC(=O)CO[*:1] COc1cc(ccc1[*:1])C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32
CNC(=O)COc1ccc(C(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)cc1OC CNC(=O)C[*:1] COc1cc(ccc1O[*:1])C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32
C[C@H](Cl)C(=O)NC(=O)NCC1CCCC1 C[C@H](Cl)[*:1] O=C(NCC1CCCC1)NC(=O)[*:1]
C[C@H](Cl)C(=O)NC(=O)NCC1CCCC1 C1CCC(C1)[*:1] C[C@H](Cl)C(=O)NC(=O)NC[*:1]
COC[C@](C)(NC(=O)NCCc1ccccc1)c1ccccc1 COC[*:1] C[C@](NC(=O)NCCc1ccccc1)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)NCCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)NCCc1ccccc1)[*:1]
COC[C@](C)(NC(=O)NCCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)NCC[*:1])c1ccccc1
COC[C@](C)(NC(=O)NCCc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] COC[C@](C)(NC(=O)NC[*:1])c1ccccc1
CC[C@@H](C)n1nc(C)c(CC[NH2+]C2CC2)c1C CC[C@@H](C)[*:1] Cc1nn(c(C)c1CC[NH2+]C1CC1)[*:1]
CC[C@@H](C)n1nc(C)c(CC[NH2+]C2CC2)c1C C1CC1[*:1] CC[C@@H](C)n1nc(C)c(CC[NH2+][*:1])c1C
CNC(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCO[C@H]1C CNC(=O)[*:1] C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1[*:1]
Cc1ccc(C(=O)N2CCN(Cc3c([O-])[nH+]nn3-c3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N1CCN(CC1)Cc1c([O-])[nH+]nn1-c1ccccc1)[*:1]
Cc1ccc(C(=O)N2CCN(Cc3c([O-])[nH+]nn3-c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)Cc1c([O-])[nH+]nn1[*:1]
Cc1oc(C)c(C(=O)NCCCNS(C)(=O)=O)c1Br CS(=O)(=O)NC[*:1] Cc1oc(C)c(C(=O)NCC[*:1])c1Br
Cc1oc(C)c(C(=O)NCCCNS(C)(=O)=O)c1Br CS(=O)(=O)N[*:1] Cc1oc(C)c(C(=O)NCCC[*:1])c1Br
CC(C)c1nn(C)cc1CN1CCN(CC(F)(F)F)[C@@H](C)C1 FC(F)(F)[*:1] CC(C)c1nn(C)cc1CN1CCN(C[*:1])[C@@H](C)C1
CC(C)c1nn(C)cc1CN1CCN(CC(F)(F)F)[C@@H](C)C1 CC(C)[*:1] C[C@H]1CN(CCN1CC(F)(F)F)Cc1cn(C)nc1[*:1]
CC(C)c1nn(C)cc1CN1CCN(CC(F)(F)F)[C@@H](C)C1 FC(F)(F)C[*:1] CC(C)c1nn(C)cc1CN1CCN([C@@H](C)C1)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)c(C)c1 c1nnnn1[*:1] Cc1ccc(c(C)c1)S(=O)(=O)[N-]c1ccccc1[*:1]
COc1ccc2oc([C@H](C)NC(=O)NC[C@H](C)C[C@@H](C)O)c(C)c2c1 C[C@@H](O)[*:1] COc1ccc2oc(c(C)c2c1)[C@H](C)NC(=O)NC[C@H](C)C[*:1]
COc1ccc2oc([C@H](C)NC(=O)NC[C@H](C)C[C@@H](C)O)c(C)c2c1 C[C@@H](O)C[*:1] COc1ccc2oc(c(C)c2c1)[C@H](C)NC(=O)NC[C@H](C)[*:1]
CCOC(=O)C1(c2nc3cnccc3s2)CCCC1 CCOC(=O)[*:1] c1cc2sc(nc2cn1)C1(CCCC1)[*:1]
CC(C)Oc1ccc(C[NH3+])cn1 CC(C)[*:1] [NH3+]Cc1ccc(nc1)O[*:1]
CC(C)Oc1ccc(C[NH3+])cn1 CC(C)O[*:1] [NH3+]Cc1ccc(nc1)[*:1]
COCCS[C@H](C)C(=O)Nc1c(N)cc(Cl)cc1Cl COC[*:1] C[C@@H](SC[*:1])C(=O)Nc1c(N)cc(Cl)cc1Cl
COCCS[C@H](C)C(=O)Nc1c(N)cc(Cl)cc1Cl COCCS[*:1] C[C@H](C(=O)Nc1c(N)cc(Cl)cc1Cl)[*:1]
COCCS[C@H](C)C(=O)Nc1c(N)cc(Cl)cc1Cl COCC[*:1] C[C@@H](S[*:1])C(=O)Nc1c(N)cc(Cl)cc1Cl
COc1ccc2c(c1)CCC/C2=N\NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc2/C(CCCc2c1)=N/NC(=O)[*:1]
CC[C@@H](C)Sc1nnc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)s1 c1csc(c1)[*:1] CC[C@@H](C)Sc1nnc(NC(=O)C2CCN(CC2)C(=O)[*:1])s1
Cn1nc(-c2ccccc2)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1Cl c1ccc(cc1)[*:1] Cn1nc(c(C[NH+]2CCC(CC2)n2cc[nH+]c2)c1Cl)[*:1]
CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)c2ccc3ccccc3n2)C1 CS(=O)(=O)[*:1] O=C(O[C@@H]1CC[C@H](C1)[*:1])c1ccc2ccccc2n1
O=C([O-])C1(C/C=C/c2ccccc2)CCCCC1 c1ccc(cc1)[*:1] O=C([O-])C1(CC=C[*:1])CCCCC1
O=C([O-])C1(C/C=C/c2ccccc2)CCCCC1 O=C([O-])[*:1] C(=C/c1ccccc1)\CC1(CCCCC1)[*:1]
CN(CCc1cccs1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)COc1ccc(c(F)c1)[N+](=O)[O-]
CN(CCc1cccs1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] CN(CCc1cccs1)C(=O)COc1ccc(c(F)c1)[*:1]
CN(CCc1cccs1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)COc1ccc(c(F)c1)[N+](=O)[O-]
CN(CCc1cccs1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 c1csc(c1)CC[*:1] CN(C(=O)COc1ccc(c(F)c1)[N+](=O)[O-])[*:1]
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccc(Br)cc1 c1csc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1])c1ccc(Br)cc1
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)c1cccs1)[*:1]
Nc1nn(-c2ccc(Cl)cc2)nc1C(=O)[O-] O=C([O-])[*:1] Nc1nn(nc1[*:1])-c1ccc(Cl)cc1
Cc1csc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 CC(C)(C)[*:1] Cc1csc(n1)NC(=O)[C@@H]1CCN(C1)C(=O)O[*:1]
Cc1csc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 Cc1csc(n1)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)C(=O)N[*:1]
O=C(CCc1nc2ccccc2[nH]c1=O)OCc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] O=C(CCc1nc2ccccc2[nH]c1=O)OC[*:1]
CCNC(=O)NC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1N CN(C)[*:1] CCNC(=O)NC(=O)[C@@H](C)Oc1cc(ccc1N)[*:1]
Cc1cccc(/C=N/n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)c1 Cc1cccc(c1)[*:1] Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1N=C[*:1]
Cc1cccc(/C=N/n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)c1 O=C(NC1CCCCC1)[*:1] Cc1cccc(/C=N/n2c(N)c(c3nc4ccccc4nc32)[*:1])c1
Cc1cccc(/C=N/n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)c1 C1CCC(CC1)[*:1] Cc1cccc(/C=N/n2c(N)c(C(=O)N[*:1])c3nc4ccccc4nc32)c1
CCCO[C@@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1 CCC[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)N1CCC[C@H](C1)O[*:1]
CCCO[C@@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1 c1ccc(cc1)[*:1] CCCO[C@@H]1CCCN(C1)c1ncnc2c1cnn2[*:1]
CCCO[C@@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1 CCCO[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)N1CCC[C@H](C1)[*:1]
O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CC(=O)N(C2CCCC2)C1 C1CCC(C1)[*:1] O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CC(=O)N(C2CCCC2)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1O[*:1])[C@H]1CC(=O)N(C1)C1CCCC1
O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CC(=O)N(C2CCCC2)C1 FC(F)(F)O[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CC(=O)N(C1)C1CCCC1
COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(OC)c1 C1CC1[*:1] COc1ccc(c(c1)OC)N(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[*:1]
Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1coc2ccc(Cl)cc2c1=O Cc1c(Cl)cccc1[*:1] O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)C(=O)N[*:1]
Cc1ccc(OC[C@@H](C)O)c(C[NH3+])n1 C[C@@H](O)[*:1] Cc1ccc(OC[*:1])c(C[NH3+])n1
Cc1ccc(OC[C@@H](C)O)c(C[NH3+])n1 C[C@@H](O)C[*:1] Cc1ccc(O[*:1])c(C[NH3+])n1
Cc1nc(Cc2ccccc2)sc1C(=O)NCCNC(=O)C(C)C c1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)NCCNC(=O)C(C)C)[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)NCCNC(=O)C(C)C CC(C)C(=O)N[*:1] Cc1nc(Cc2ccccc2)sc1C(=O)NCC[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)NCCNC(=O)C(C)C CC(C)C(=O)NC[*:1] Cc1nc(Cc2ccccc2)sc1C(=O)NC[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)NCCNC(=O)C(C)C CC(C)C(=O)NCC[*:1] Cc1nc(Cc2ccccc2)sc1C(=O)N[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)NCCNC(=O)C(C)C CC(C)[*:1] Cc1nc(Cc2ccccc2)sc1C(=O)NCCNC(=O)[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)NCCNC(=O)C(C)C c1ccc(cc1)[*:1] Cc1nc(C[*:1])sc1C(=O)NCCNC(=O)C(C)C
C[C@H](CCc1ccccc1)[NH+]1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](CCc1ccccc1)[NH+]1CCN(CC1)[*:1]
C[C@H](CCc1ccccc1)[NH+]1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](CCc1ccccc1)[NH+]1CCN(CC1)C[*:1]
C[C@H](CCc1ccccc1)[NH+]1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])[NH+]1CCN(CC1)Cc1ccccc1
C[C@H](CCc1ccccc1)[NH+]1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])[NH+]1CCN(CC1)Cc1ccccc1
CCN(Cc1ccc(C#N)cc1F)C(=O)Nc1cnn(CC)c1 CCn1cc(cn1)[*:1] CCN(Cc1ccc(C#N)cc1F)C(=O)N[*:1]
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 O=[N+]([O-])[*:1] O=C(Cn1cc(ccc1=O)[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
CCOC(=O)c1nn(-c2cc(Cl)ccc2Cl)cc1C=O CCOC(=O)[*:1] O=Cc1cn(nc1[*:1])-c1cc(Cl)ccc1Cl
COc1ccc(C2=NN=C3N=C(c4ccc(NC(C)=O)cc4)C=C(C(=O)[O-])[C@@H]32)cc1 CC(=O)N[*:1] COc1ccc(cc1)C1=NN=C2N=C(C=C(C(=O)[O-])[C@@H]21)c1ccc(cc1)[*:1]
COc1ccc(C2=NN=C3N=C(c4ccc(NC(C)=O)cc4)C=C(C(=O)[O-])[C@@H]32)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C1C=C(C(=O)[O-])[C@H]2C(N=1)=NN=C2[*:1]
COc1ccc(C2=NN=C3N=C(c4ccc(NC(C)=O)cc4)C=C(C(=O)[O-])[C@@H]32)cc1 O=C([O-])[*:1] COc1ccc(cc1)C1=NN=C2N=C(C=C([C@@H]21)[*:1])c1ccc(cc1)NC(C)=O
COc1ccc(C2=NN=C3N=C(c4ccc(NC(C)=O)cc4)C=C(C(=O)[O-])[C@@H]32)cc1 CC(=O)Nc1ccc(cc1)[*:1] COc1ccc(cc1)C1=NN=C2N=C(C=C(C(=O)[O-])[C@@H]21)[*:1]
[NH3+]CCn1cc(-c2nc([C@H]3CSCCO3)no2)nn1 C1CSC[C@@H](O1)[*:1] [NH3+]CCn1cc(nn1)-c1nc(no1)[*:1]
[NH3+]CCn1cc(-c2nc([C@H]3CSCCO3)no2)nn1 [NH3+]CC[*:1] c1c(nnn1[*:1])-c1nc(no1)[C@H]1CSCCO1
CNC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCO[C@H]1C CNC(=O)[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1[*:1]
C[C@H]1C[C@](C(=O)[O-])(N(C=O)C2CC2)CS1 C1CC1[*:1] C[C@H]1C[C@](CS1)(C(=O)[O-])N(C=O)[*:1]
C[C@H]1C[C@](C(=O)[O-])(N(C=O)C2CC2)CS1 O=C([O-])[*:1] C[C@H]1C[C@@](CS1)(N(C=O)C1CC1)[*:1]
Cc1cc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1Cl O=[N+]([O-])[*:1] Cc1cc(ccc1Cl)O[C@H](C)C(=O)Nc1cc(ccc1C)[*:1]
Cc1cc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1Cl Cc1cc(ccc1Cl)[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)O[*:1])[N+](=O)[O-]
COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2c(C)nc3c(C)cccn23)cc1 COc1ccc(cc1)[*:1] Cc1nc2c(C)cccn2c1C(=O)N1CCc2[nH]cnc2[C@@H]1[*:1]
Cc1oc(-c2cccs2)nc1COc1cccc(NC(=O)C2CC2)c1 c1csc(c1)[*:1] Cc1oc(nc1COc1cccc(c1)NC(=O)C1CC1)[*:1]
Cc1oc(-c2cccs2)nc1COc1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] Cc1oc(nc1COc1cccc(c1)NC(=O)[*:1])-c1cccs1
Cc1oc(-c2cccs2)nc1COc1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 Cc1oc(nc1COc1cccc(c1)[*:1])-c1cccs1
COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCC1)[C@H](c1ccccc1F)N(C)C2=O Fc1ccccc1[*:1] COc1cc2C(=O)N(C)[C@@H]([C@H](C(=O)N3CCCC3)c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCC1)[C@H](c1ccccc1F)N(C)C2=O O=C(N1CCCC1)[*:1] COc1cc2C(=O)N(C)[C@@H](c3ccccc3F)[C@H](c2cc1OC)[*:1]
COCCCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O COCC[*:1] O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NC[*:1]
COCCCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O COCCC[*:1] O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N[*:1]
COCCCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O c1csc(c1)[*:1] COCCCNC(=O)Cn1cnc2scc(c2c1=O)[*:1]
COCCCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O COCCCNC(=O)[*:1] O=c1c2c(csc2ncn1C[*:1])-c1cccs1
COCCCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O COC[*:1] O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NCC[*:1]
COc1ccc(NC(=O)N(C)[C@@H](C)CC#N)cn1 N#CC[*:1] COc1ccc(cn1)NC(=O)N(C)[C@@H](C)[*:1]
Cc1ccc2cnn(CCC(=O)NCc3ccc(C)o3)c2c1 Cc1ccc(o1)[*:1] Cc1ccc2cnn(CCC(=O)NC[*:1])c2c1
Cc1ccc2cnn(CCC(=O)NCc3ccc(C)o3)c2c1 Cc1ccc(C[*:1])o1 Cc1ccc2cnn(CCC(=O)N[*:1])c2c1
COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3C)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[C@H]1CC(=O)Nc2c1c(C)nn2C
COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3C)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[C@H]1CC(=O)Nc2c1c(C)nn2C
O=C(NCC1(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCC1(CC1)[*:1])Nc1ccc(F)cc1
O=C(NCC1(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1)N[*:1]
Brc1ccc([C@@H]2CC(c3ccccc3)=Nc3ncnn32)cc1 Brc1ccc(cc1)[*:1] c1ccc(cc1)C1C[C@H](n2ncnc2N=1)[*:1]
Brc1ccc([C@@H]2CC(c3ccccc3)=Nc3ncnn32)cc1 c1ccc(cc1)[*:1] Brc1ccc(cc1)[C@@H]1CC(=Nc2ncnn21)[*:1]
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc(C)c1OC COc1c(C)cccc1[*:1] COc1c(Cl)cc(cc1NC(=S)NC(=O)[*:1])C(=O)[O-]
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc(C)c1OC O=C([O-])[*:1] COc1c(Cl)cc(cc1NC(=S)NC(=O)c1cccc(C)c1OC)[*:1]
CN(CC(=O)NCc1ccc(F)cc1)OCc1ccccc1 c1ccc(cc1)C[*:1] CN(CC(=O)NCc1ccc(F)cc1)O[*:1]
CN(CC(=O)NCc1ccc(F)cc1)OCc1ccccc1 Fc1ccc(cc1)[*:1] CN(CC(=O)NC[*:1])OCc1ccccc1
CN(CC(=O)NCc1ccc(F)cc1)OCc1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)NCc1ccc(F)cc1)OC[*:1]
O=S(=O)(/N=C(\[O-])c1ccnc(OCc2ccccc2)c1)c1cccs1 c1ccc(cc1)CO[*:1] O=S(=O)(/N=C(\[O-])c1ccnc(c1)[*:1])c1cccs1
O=S(=O)(/N=C(\[O-])c1ccnc(OCc2ccccc2)c1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(/N=C(\[O-])c1ccnc(c1)OCc1ccccc1)[*:1]
O=S(=O)(/N=C(\[O-])c1ccnc(OCc2ccccc2)c1)c1cccs1 c1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])c1ccnc(c1)OC[*:1])c1cccs1
O=S(=O)(/N=C(\[O-])c1ccnc(OCc2ccccc2)c1)c1cccs1 c1ccc(cc1)C[*:1] O=S(=O)(/N=C(\[O-])c1ccnc(c1)O[*:1])c1cccs1
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC(Nc3ccccc3)CC2)C1 c1ccc(cc1)N[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N1CCC(CC1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC(Nc3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N1CCC(CC1)N[*:1]
Cc1cc(C)cc(-c2nc(Cn3cnc4ccccc4c3=O)no2)c1 Cc1cc(C)cc(c1)[*:1] O=c1c2ccccc2ncn1Cc1noc(n1)[*:1]
CCCSc1nc2ccccc2c2nc(-c3ccc4c(c3)OCCO4)nn12 CCC[*:1] c1ccc2c(c1)nc(S[*:1])n1nc(nc21)-c1ccc2OCCOc2c1
CCCSc1nc2ccccc2c2nc(-c3ccc4c(c3)OCCO4)nn12 CCCS[*:1] c1ccc2c(c1)nc(n1nc(nc21)-c1ccc2OCCOc2c1)[*:1]
CN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)C1(C#N)CCC1 N#CC1(CCC1)[*:1] CN(C(=O)CCn1cnc2ccc(Br)cc2c1=O)[*:1]
Cc1ccc(CS[C@@H](C)c2nc(C3CC3)no2)cc1 C1CC1[*:1] Cc1ccc(cc1)CS[C@@H](C)c1nc(no1)[*:1]
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(Cc2nc(C)no2)CC1 COC(=O)[*:1] Cc1noc(CN2CCN(CC2)[C@H](c2cccc(C#N)c2)[*:1])n1
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(Cc2nc(C)no2)CC1 Cc1noc(C[*:1])n1 COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC1)[*:1]
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(Cc2nc(C)no2)CC1 Cc1noc(n1)[*:1] COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC1)C[*:1]
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(Cc2nc(C)no2)CC1 N#Cc1cccc(c1)[*:1] COC(=O)[C@@H](N1CCN(CC1)Cc1nc(C)no1)[*:1]
CS(=O)(=O)Cc1ccc(CNC(=O)NCC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 CS(=O)(=O)[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)NCc1ccc(cc1)C[*:1]
CS(=O)(=O)Cc1ccc(CNC(=O)NCC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 CS(=O)(=O)C[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)NCc1ccc(cc1)[*:1]
CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCS(=O)(=O)N1N=C(C[C@@H]1[*:1])c1ccc(cc1)NS(C)(=O)=O
CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1 CS(=O)(=O)N[*:1] CCS(=O)(=O)N1N=C(C[C@H]1c1ccccc1)c1ccc(cc1)[*:1]
O=C(NCC(F)(F)F)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 FC(F)(F)C[*:1] O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)N[*:1]
O=C(NCC(F)(F)F)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 c1cncc(c1)[*:1] O=C(NCC(F)(F)F)Nc1ccc2c(c1)CCN2C(=O)[*:1]
O=C(NCC(F)(F)F)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 FC(F)(F)[*:1] O=C(NC[*:1])Nc1ccc2c(c1)CCN2C(=O)c1cccnc1
O=C([O-])CC12CC3CC(C1)CC(CC(=O)[O-])(C3)C2 O=C([O-])[*:1] O=C([O-])CC12CC3CC(C1)CC(C3)(C2)C[*:1]
O=C([O-])CC12CC3CC(C1)CC(CC(=O)[O-])(C3)C2 O=C([O-])C[*:1] O=C([O-])CC12CC3CC(C1)CC(C3)(C2)[*:1]
C[C@@H]1CC(C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)C[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
C[C@@H]1CC(C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N[C@@H]1CCCC[C@@H]1C[*:1]
Cc1cc(C(C)(C)C)cc(C)c1COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C CC(C)(C)[*:1] Cc1cc(cc(C)c1COC(=O)Cn1nc(C)c(c1C)[N+](=O)[O-])[*:1]
Cc1cc(C(C)(C)C)cc(C)c1COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cc(cc(C)c1COC(=O)Cn1nc(C)c(c1C)[*:1])C(C)(C)C
C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)C1 CN(C)S(=O)(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)COc1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccc(cc1)NC(=O)c1ccccc1
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1S(=O)(=O)N1CCCCC1 O=C(N[*:1])c1ccccc1 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1S(=O)(=O)N1CCCCC1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@H](C)n2nccc2C)sc1C c1cc(cs1)[*:1] Cc1nc(sc1C)[C@@H](C[*:1])NC(=O)[C@H](C)n1nccc1C
Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@H](C)n2nccc2C)sc1C Cc1ccnn1[C@@H](C)[*:1] Cc1nc(sc1C)[C@@H](Cc1ccsc1)NC(=O)[*:1]
Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@H](C)n2nccc2C)sc1C Cc1nc(sc1C)[*:1] Cc1ccnn1[C@@H](C)C(=O)N[C@H](Cc1ccsc1)[*:1]
Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@H](C)n2nccc2C)sc1C c1cc(cs1)C[*:1] Cc1nc(sc1C)[C@@H](NC(=O)[C@H](C)n1nccc1C)[*:1]
Cc1nc([C@@H](Cc2ccsc2)NC(=O)[C@H](C)n2nccc2C)sc1C Cc1ccnn1[*:1] Cc1nc(sc1C)[C@@H](Cc1ccsc1)NC(=O)[C@H](C)[*:1]
CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CC(C)C[C@H](CNC(=O)N[C@@H](C)[*:1])C(=O)[O-]
CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccccc1)C(=O)[O-] CC(C)C[*:1] C[C@H](NC(=O)NC[C@H](C(=O)[O-])[*:1])c1ccccc1
CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccccc1)C(=O)[O-] CC(C)[*:1] C[C@H](NC(=O)NC[C@@H](C[*:1])C(=O)[O-])c1ccccc1
CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccccc1)[*:1]
Cc1nc(C)c(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)s1 Cc1nc(C)c(s1)[*:1] CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)[*:1]
Cc1nc(C)c(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)s1 CC(C)(C)[*:1] Cc1nc(C)c(s1)C(=O)N1CCC(CC1)NC(=O)O[*:1]
CC(C)(CNC(=O)COc1ccc2ccc(=O)oc2c1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)COc1ccc2ccc(=O)oc2c1)[*:1]
COCCNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 COCCNC(=O)[*:1] O=C(c1ccc(s1)-n1ccc2ccccc21)N1CCC(CC1)[*:1]
COCCNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 COCC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(s1)-n1ccc2ccccc21
COCCNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 c1ccc2c(c1)ccn2[*:1] COCCNC(=O)C1CCN(CC1)C(=O)c1ccc(s1)[*:1]
COCCNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 COC[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1ccc(s1)-n1ccc2ccccc21
O[C@H](c1ccccc1)c1nc(-c2ccc(Cl)cn2)no1 c1ccc(cc1)[*:1] O[C@H](c1nc(no1)-c1ccc(Cl)cn1)[*:1]
CC(=O)Nc1ccc(OC(=O)CCCc2c[nH]c3ccccc23)cc1 CC(=O)N[*:1] O=C(CCCc1c[nH]c2ccccc12)Oc1ccc(cc1)[*:1]
Cc1cc(NC(=O)CCN(C)[C@H](c2ccccc2)c2ccc(F)cc2)no1 Cc1cc(no1)[*:1] CN(CCC(=O)N[*:1])[C@H](c1ccccc1)c1ccc(F)cc1
Cc1cc(NC(=O)CCN(C)[C@H](c2ccccc2)c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CCN(C)[C@H](c1ccccc1)[*:1]
Cc1cc(NC(=O)CCN(C)[C@H](c2ccccc2)c2ccc(F)cc2)no1 Cc1cc(no1)NC(=O)[*:1] CN(CC[*:1])[C@H](c1ccccc1)c1ccc(F)cc1
Cc1cc(NC(=O)CCN(C)[C@H](c2ccccc2)c2ccc(F)cc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CCN(C)[C@H](c1ccc(F)cc1)[*:1]
C[C@H]1CCC[C@H](C[NH2+]C[C@@H](C)N2CCOCC2)C1 C1CN(CCO1)[*:1] C[C@H]1CCC[C@H](C[NH2+]C[C@@H](C)[*:1])C1
Cc1ccn(CC(C)(C)C(=O)NN)n1 NNC(=O)[*:1] Cc1ccn(CC(C)(C)[*:1])n1
CSc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1 c1csc(c1)[*:1] CSc1cccc(c1)NC(=O)[C@@H]1CCCN1C(=O)[*:1]
Cc1nc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)cs1 Cc1nc(cs1)[*:1] O=C(N1CCC[C@@H](CCc2ccc(F)cc2)C1)[*:1]
Cc1nc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)C(=O)N1CCC[C@@H](CC[*:1])C1
N#CCOc1cccc(CC(=O)N2CCN(CC3CC3)c3ccccc32)c1 C1CC1[*:1] N#CCOc1cccc(c1)CC(=O)N1CCN(C[*:1])c2ccccc21
N#CCOc1cccc(CC(=O)N2CCN(CC3CC3)c3ccccc32)c1 C1CC1C[*:1] N#CCOc1cccc(c1)CC(=O)N1CCN(c2ccccc21)[*:1]
N#CCOc1cccc(CC(=O)N2CCN(CC3CC3)c3ccccc32)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])N1CCN(CC2CC2)c2ccccc21
N#CCOc1cccc(CC(=O)N2CCN(CC3CC3)c3ccccc32)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])N1CCN(CC2CC2)c2ccccc21
Fc1ccc(Br)cc1-c1nc(-c2cnccn2)no1 c1cnc(cn1)[*:1] Fc1ccc(Br)cc1-c1nc(no1)[*:1]
CCOc1ccc(Br)cc1NC(=O)c1cc(C)ccc1F CCO[*:1] Cc1ccc(F)c(c1)C(=O)Nc1cc(Br)ccc1[*:1]
C[C@H](C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](C(=O)N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
C[C@H](C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1)S(C)(=O)=O C[C@H](S(C)(=O)=O)[*:1] O=C(N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
C[C@H](C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1)S(C)(=O)=O FC(F)(F)[*:1] C[C@H](C(=O)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1])S(C)(=O)=O
CC[C@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl CC(C)NS(=O)(=O)[*:1] CC[C@H](C)NC(=O)c1cc(ccc1Cl)[*:1]
CC[C@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl CC[C@H](C)NC(=O)[*:1] CC(C)NS(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CC[C@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl CC[C@H](C)[*:1] CC(C)NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
CC[C@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl CC(C)[*:1] CC[C@H](C)NC(=O)c1cc(ccc1Cl)S(=O)(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C1CC1 Cc1c(Cl)cccc1[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1nnnn1C1CC1
Cc1c(Cl)cccc1NC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C1CC1 C1CC1n1nnnc1[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](C)S(=O)(=O)C[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C1CC1 C1CC1[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1[*:1]
COC(=O)c1ccc(C[NH+]2CCCC2(C)C)cc1F COC(=O)[*:1] CC1(C)CCC[NH+]1Cc1ccc(c(F)c1)[*:1]
CCOc1c(Br)cc([C@H]2C3=C(COC3=O)Nc3nc(SC)nc(N)c32)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])[C@H]1C2C(=O)OCC=2Nc2nc(nc(N)c21)SC
COC1CCN(C(=O)c2cc3c(C(C)C)nn(C)c3s2)CC1 CC(C)[*:1] COC1CCN(CC1)C(=O)c1cc2c(nn(C)c2s1)[*:1]
COC(=O)[C@]1(N2CC[NH2+]CC2)CSCCC1(C)C COC(=O)[*:1] CC1(C)CCSC[C@]1(N1CC[NH2+]CC1)[*:1]
C[C@H](Cc1cccc(Cl)c1)NC(=O)C[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@H](Cc1cccc(Cl)c1)NC(=O)C[*:1]
C[C@H](Cc1cccc(Cl)c1)NC(=O)C[C@H]1CCS(=O)(=O)C1 Clc1cccc(c1)[*:1] C[C@H](C[*:1])NC(=O)C[C@H]1CCS(=O)(=O)C1
Cc1cccc([C@@H]2CCCN2c2cncc(-n3ccnc3C)n2)c1 Cc1nccn1[*:1] Cc1cccc(c1)[C@@H]1CCCN1c1cncc(n1)[*:1]
Cc1cccc([C@@H]2CCCN2c2cncc(-n3ccnc3C)n2)c1 Cc1cccc(c1)[*:1] Cc1nccn1-c1cncc(n1)N1CCC[C@H]1[*:1]
CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(Cc2cccs2)C1 CS(=O)(=O)[*:1] Clc1cnc(c(c1)[*:1])[C@H]1CCCN(Cc2cccs2)C1
CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(Cc2cccs2)C1 c1csc(c1)[*:1] CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(C1)C[*:1]
CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(Cc2cccs2)C1 c1csc(c1)C[*:1] CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(C1)[*:1]
Cc1nc(C)c([C@@H](C)N(C)Cc2ncc(-c3cccs3)o2)s1 c1csc(c1)[*:1] Cc1nc(C)c(s1)[C@@H](C)N(C)Cc1ncc(o1)[*:1]
Cc1nc(C)c([C@@H](C)N(C)Cc2ncc(-c3cccs3)o2)s1 Cc1nc(C)c(s1)[*:1] C[C@@H](N(C)Cc1ncc(o1)-c1cccs1)[*:1]
CCOCC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 FC(F)O[*:1] CCOCC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCOCC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 CCOC[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)OC(F)F
CCOCC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 FC(F)[*:1] CCOCC(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
CCOCC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 CCO[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)OC(F)F
C[C@H](CO)N(C)C(=O)c1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](CO)N(C)C(=O)c1csc(n1)[*:1]
CN(CCc1ccccn1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)NCCc1c[nH]c2ccc(Cl)cc12
CN(CCc1ccccn1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 c1ccc(CC[*:1])nc1 CN(C(=O)NCCc1c[nH]c2ccc(Cl)cc12)[*:1]
CN(CCc1ccccn1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)NCCc1c[nH]c2ccc(Cl)cc12
CCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)NC(C)C CCO[*:1] CC(C)NC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1[*:1]
CCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)NC(C)C CC(C)[*:1] CCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N[*:1]
CCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)NC(C)C CC(C)NC(=O)[*:1] CCOc1ccc(Br)cc1C(=O)Nc1ccccc1[*:1]
CCCc1nnc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Cl)s1 Clc1ccccc1[*:1] CCCc1nnc(NC(=O)C(=O)N[C@@H](C)[*:1])s1
CCCc1nnc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Cl)s1 CCC[*:1] C[C@H](NC(=O)C(=O)Nc1nnc(s1)[*:1])c1ccccc1Cl
CCOc1ccccc1C[NH+](C)Cc1nnnn1C1CC1 CCO[*:1] C[NH+](Cc1ccccc1[*:1])Cc1nnnn1C1CC1
CCOc1ccccc1C[NH+](C)Cc1nnnn1C1CC1 C1CC1[*:1] CCOc1ccccc1C[NH+](C)Cc1nnnn1[*:1]
COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)NC2CCCCCC2)cc1 C1CCCC(CC1)[*:1] COc1ccc(cc1)C[C@@](C)(O)CNC(=O)C(=O)N[*:1]
COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)NC2CCCCCC2)cc1 COc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)C(=O)NC1CCCCCC1)C[*:1]
CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccc(C)nc1Br CC[C@H](C)[*:1] Cc1ccc(NC(=O)C(=O)NC[C@@H](O)[*:1])c(Br)n1
CC(=O)NCCCc1ccc(-c2nc3ccccc3c(C)c2Cl)cc1 CC(=O)NC[*:1] Cc1c(Cl)c(nc2ccccc12)-c1ccc(cc1)CC[*:1]
CC(=O)NCCCc1ccc(-c2nc3ccccc3c(C)c2Cl)cc1 CC(=O)NCCC[*:1] Cc1c(Cl)c(nc2ccccc12)-c1ccc(cc1)[*:1]
CC(=O)NCCCc1ccc(-c2nc3ccccc3c(C)c2Cl)cc1 CC(=O)N[*:1] Cc1c(Cl)c(nc2ccccc12)-c1ccc(cc1)CCC[*:1]
CC(=O)NCCCc1ccc(-c2nc3ccccc3c(C)c2Cl)cc1 CC(=O)NCC[*:1] Cc1c(Cl)c(nc2ccccc12)-c1ccc(cc1)C[*:1]
COC(=O)c1cc(C[NH+](C)CC(=O)Nc2ccc(Cl)cc2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])C[NH+](C)CC(=O)Nc1ccc(Cl)cc1
COC(=O)c1cc(C[NH+](C)CC(=O)Nc2ccc(Cl)cc2)oc1C Clc1ccc(cc1)[*:1] COC(=O)c1cc(C[NH+](C)CC(=O)N[*:1])oc1C
Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Oc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Oc1ccc(cc1)[N+](=O)[O-]
COc1cccc(N2C(=S)S[C@@H]3C(=O)N=C(SCC(=O)Nc4ccc(Cl)cc4)N=C32)c1 COc1cccc(c1)[*:1] O=C(CSC1=NC(=O)[C@H]2SC(=S)N(C2=N1)[*:1])Nc1ccc(Cl)cc1
COc1cccc(N2C(=S)S[C@@H]3C(=O)N=C(SCC(=O)Nc4ccc(Cl)cc4)N=C32)c1 O=C(Nc1ccc(Cl)cc1)[*:1] COc1cccc(c1)N1C(=S)S[C@@H]2C(=O)N=C(N=C21)SC[*:1]
COc1cccc(N2C(=S)S[C@@H]3C(=O)N=C(SCC(=O)Nc4ccc(Cl)cc4)N=C32)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)N1C(=S)S[C@@H]2C(=O)N=C(N=C21)SCC(=O)N[*:1]
OCC1(Cc2ccccc2)CC[NH+](Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] OCC1(CC[NH+](CC1)C[*:1])Cc1ccccc1
OCC1(Cc2ccccc2)CC[NH+](Cc2cccc(F)c2)CC1 c1ccc(cc1)[*:1] OCC1(CC[NH+](CC1)Cc1cccc(F)c1)C[*:1]
OCC1(Cc2ccccc2)CC[NH+](Cc2cccc(F)c2)CC1 c1ccc(cc1)C[*:1] OCC1(CC[NH+](CC1)Cc1cccc(F)c1)[*:1]
CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1C CC(C)[*:1] CNC(=O)[C@H](C[*:1])NS(=O)(=O)c1ccc(F)cc1C
CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1C CC(C)C[*:1] CNC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1C)[*:1]
CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1C CNC(=O)[*:1] Cc1cc(F)ccc1S(=O)(=O)N[C@@H](CC(C)C)[*:1]
COc1ccccc1C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 COc1ccccc1[*:1] C[NH+]1CCC(CC1)C(=O)NCC1(CCCC1)[*:1]
Cc1ccn2c(C[NH2+]Cc3csc(CCc4ccccc4)n3)c[nH+]c2c1 c1ccc(cc1)CC[*:1] Cc1ccn2c(c[nH+]c2c1)C[NH2+]Cc1csc(n1)[*:1]
Cc1ccn2c(C[NH2+]Cc3csc(CCc4ccccc4)n3)c[nH+]c2c1 c1ccc(cc1)[*:1] Cc1ccn2c(c[nH+]c2c1)C[NH2+]Cc1csc(CC[*:1])n1
Cc1ccn2c(C[NH2+]Cc3csc(CCc4ccccc4)n3)c[nH+]c2c1 c1ccc(cc1)C[*:1] Cc1ccn2c(c[nH+]c2c1)C[NH2+]Cc1csc(C[*:1])n1
CC(=O)Nc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
CC(=O)Nc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(N[*:1])c1ccccc1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
CC(=O)Nc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccccc1S(=O)(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccccc1S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N[C@H](C)c1cccc(O)c1 CC(C)[*:1] C[C@@H](NC(=O)[C@@H](C[NH3+])C[*:1])c1cccc(O)c1
CC(C)C[C@H](C[NH3+])C(=O)N[C@H](C)c1cccc(O)c1 CC(C)C[*:1] C[C@@H](NC(=O)[C@@H](C[NH3+])[*:1])c1cccc(O)c1
O=C(C[C@@H](O)c1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 O[C@@H](c1ccccc1)[*:1] O=C(C[*:1])NC[C@H](c1ccccc1)[NH+]1CCCC1
O=C(C[C@@H](O)c1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])NC[C@H](c1ccccc1)[NH+]1CCCC1
O=C(C[C@@H](O)c1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)c1ccccc1)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1c(CS(C)(=O)=O)cccc1NC(=O)NCC1(CC(C)C)CCCC1 CS(=O)(=O)[*:1] Cc1c(cccc1NC(=O)NCC1(CCCC1)CC(C)C)C[*:1]
Cc1c(CS(C)(=O)=O)cccc1NC(=O)NCC1(CC(C)C)CCCC1 CC(C)[*:1] Cc1c(cccc1NC(=O)NCC1(CCCC1)C[*:1])CS(C)(=O)=O
Cc1c(CS(C)(=O)=O)cccc1NC(=O)NCC1(CC(C)C)CCCC1 CS(=O)(=O)C[*:1] Cc1c(cccc1[*:1])NC(=O)NCC1(CCCC1)CC(C)C
Cc1c(CS(C)(=O)=O)cccc1NC(=O)NCC1(CC(C)C)CCCC1 CC(C)C[*:1] Cc1c(cccc1NC(=O)NCC1(CCCC1)[*:1])CS(C)(=O)=O
COc1ccc(CCNC(=O)NC[C@H](O)c2cccc3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])NC[C@H](O)c1cccc2ccccc12
COc1ccc(CCNC(=O)NC[C@H](O)c2cccc3ccccc23)cc1 COc1ccc(cc1)C[*:1] O=C(NC[C@H](O)c1cccc2ccccc12)NC[*:1]
CC(C)(C)NC(=O)NC(=O)Cn1cnc2ccc(Cl)cc2c1=O CC(C)(C)[*:1] O=C(Cn1cnc2ccc(Cl)cc2c1=O)NC(=O)N[*:1]
CC[C@H](NC(=O)N[C@@H](c1ccccc1C)C1CC1)C(=O)N1CCOCC1 Cc1ccccc1[*:1] CC[C@H](NC(=O)N[C@@H](C1CC1)[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)N[C@@H](c1ccccc1C)C1CC1)C(=O)N1CCOCC1 C1CC1[*:1] CC[C@H](NC(=O)N[C@@H](c1ccccc1C)[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)N[C@@H](c1ccccc1C)C1CC1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)N[C@@H](c1ccccc1C)C1CC1)[*:1]
C[C@@H]1CC(C(=O)N(C)CCOc2cccc(Cl)c2)C[C@@H](C)O1 Clc1cccc(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N(C)CCO[*:1]
CC[NH+](CC)CCS[C@H](F)C(=O)[O-] O=C([O-])[*:1] CC[NH+](CC)CCS[C@H](F)[*:1]
CCC[NH2+][C@@H](CC)c1ccn(CC#N)c1 CCC[*:1] CC[C@H]([NH2+][*:1])c1ccn(c1)CC#N
CCC[NH2+][C@@H](CC)c1ccn(CC#N)c1 N#CC[*:1] CCC[NH2+][C@@H](CC)c1ccn(c1)[*:1]
CSc1cccc(N(C)C(=O)c2cn(Cc3cccnc3)nn2)c1 CSc1cccc(c1)[*:1] CN(C(=O)c1cn(Cc2cccnc2)nn1)[*:1]
CSc1cccc(N(C)C(=O)c2cn(Cc3cccnc3)nn2)c1 c1cncc(c1)C[*:1] CSc1cccc(c1)N(C)C(=O)c1cn(nn1)[*:1]
CSc1cccc(N(C)C(=O)c2cn(Cc3cccnc3)nn2)c1 c1cncc(c1)[*:1] CSc1cccc(c1)N(C)C(=O)c1cn(C[*:1])nn1
CNc1nc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)cs1 CC(C)(C)[*:1] CNc1nc(cs1)C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(cc1)[*:1]
CNc1nc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)cs1 CNc1nc(cs1)[*:1] CC(C)(C)c1ccc(cc1)-n1ncc2c1CCC[C@@H]2NC(=O)[*:1]
O=C([O-])c1cccc2c1ccn2Cc1cscn1 c1nc(cs1)[*:1] O=C([O-])c1cccc2c1ccn2C[*:1]
O=C([O-])c1cccc2c1ccn2Cc1cscn1 O=C([O-])[*:1] c1cc(c2ccn(Cc3cscn3)c2c1)[*:1]
O=C([O-])c1cccc2c1ccn2Cc1cscn1 c1nc(cs1)C[*:1] O=C([O-])c1cccc2c1ccn2[*:1]
CC(C)C[C@H](NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)c1nc2ccccc2[nH]1 CC(C)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)C[C@H](NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)c1nc2ccccc2[nH]1 CC(C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N[C@@H](C[*:1])c1nc2ccccc2[nH]1
Cc1ccc(C)c(S[C@H](C)C(=O)Nc2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccc(C)c(c1)S[C@H](C)C(=O)N[*:1]
CC(C)[C@H]1CN(C(=O)c2ccccc2O)CCC(=O)N1Cc1ccc(F)cc1 CC(C)[*:1] O=C(c1ccccc1O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C1)[*:1]
CC(C)[C@H]1CN(C(=O)c2ccccc2O)CCC(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CC(C)[C@H]1CN(CCC(=O)N1[*:1])C(=O)c1ccccc1O
CC(C)[C@H]1CN(C(=O)c2ccccc2O)CCC(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@H]1CN(CCC(=O)N1C[*:1])C(=O)c1ccccc1O
CC(C)[C@H]1CN(C(=O)c2ccccc2O)CCC(=O)N1Cc1ccc(F)cc1 Oc1ccccc1[*:1] CC(C)[C@H]1CN(CCC(=O)N1Cc1ccc(F)cc1)C(=O)[*:1]
O=C(c1n[nH]c2c1CCCC2)N1CCn2c(nnc2C2CC2)C1 C1CC1[*:1] O=C(c1n[nH]c2CCCCc12)N1CCn2c(C1)nnc2[*:1]
C[C@@H]([NH2+]C1CC1)[C@H](C)[C@@H]1CCc2cccnc21 C1CC1[*:1] C[C@@H]([NH2+][*:1])[C@H](C)[C@@H]1CCc2cccnc21
O=C([O-])c1ccc(-c2ccc(Cl)cc2)cc1F O=C([O-])[*:1] Fc1cc(ccc1[*:1])-c1ccc(Cl)cc1
O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(C2CCCCC2)n[nH]1 O=c1[nH]nc(C[*:1])[nH]1 O=C(NCC[*:1])c1cc(n[nH]1)C1CCCCC1
O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(C2CCCCC2)n[nH]1 O=c1[nH]nc([nH]1)[*:1] O=C(NCCC[*:1])c1cc(n[nH]1)C1CCCCC1
O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(C2CCCCC2)n[nH]1 C1CCC(CC1)[*:1] O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(n[nH]1)[*:1]
CCOC(=O)[C@](C)(Nc1cc(C)cc(F)c1)C1CC1 C1CC1[*:1] CCOC(=O)[C@](C)(Nc1cc(C)cc(F)c1)[*:1]
CCOC(=O)[C@](C)(Nc1cc(C)cc(F)c1)C1CC1 CCOC(=O)[*:1] Cc1cc(F)cc(c1)N[C@@](C)(C1CC1)[*:1]
CCCN1C(=O)c2cccc3c(S(=O)(=O)NNC(=O)c4ccccc4)ccc1c23 CCC[*:1] O=C(NNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2[*:1])c1ccccc1
CCCN1C(=O)c2cccc3c(S(=O)(=O)NNC(=O)c4ccccc4)ccc1c23 c1ccc(cc1)[*:1] CCCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NNC(=O)[*:1]
N#Cc1ccc(OCC(=O)NNC(=O)CCc2ccsc2)cc1 c1cc(cs1)CC[*:1] N#Cc1ccc(cc1)OCC(=O)NNC(=O)[*:1]
N#Cc1ccc(OCC(=O)NNC(=O)CCc2ccsc2)cc1 c1cc(cs1)[*:1] N#Cc1ccc(cc1)OCC(=O)NNC(=O)CC[*:1]
N#Cc1ccc(OCC(=O)NNC(=O)CCc2ccsc2)cc1 c1cc(cs1)C[*:1] N#Cc1ccc(cc1)OCC(=O)NNC(=O)C[*:1]
CN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)NC1CCCCC1)CC2 C1CCC(CC1)[*:1] CN1c2cc(F)ccc2C(=O)NC12CCN(CC2)C(=O)N[*:1]
CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 CC(=O)O[*:1] O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1c1cccc(c1)[*:1])[C@@H]1C[C@H]31
CCCCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1 CCCC[*:1] O=S(=O)(c1ccc(cc1)O[*:1])N1CCN=C1c1ccccc1
CCCCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1 CCC[*:1] O=S(=O)(c1ccc(cc1)OC[*:1])N1CCN=C1c1ccccc1
CCCCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1 CCCCO[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN=C1c1ccccc1
CCCCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1 c1ccc(cc1)[*:1] CCCCOc1ccc(cc1)S(=O)(=O)N1CCN=C1[*:1]
COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)cc1 COc1ccc(cc1)C[*:1] O=S1(=O)C[C@H](NC[*:1])[C@H](C1)S(=O)(=O)c1ccc(F)cc1
COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[*:1]
COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=S1(=O)C[C@H](NCC[*:1])[C@H](C1)S(=O)(=O)c1ccc(F)cc1
CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 c1ccc(cc1)[*:1] CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1cnn2c(cc(nc12)[*:1])C(F)(F)F
CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 CCc1onc(C)c1[*:1] O=C(c1cnn2c(cc(nc12)-c1ccccc1)C(F)(F)F)N1CCC[C@H]1[*:1]
CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 FC(F)(F)[*:1] CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1cnn2c(cc(nc12)-c1ccccc1)[*:1]
Cc1nc(N2CCn3c(nn(C)c3=O)C2)c2c(CC(C)C)csc2n1 CC(C)C[*:1] Cc1nc(c2c(csc2n1)[*:1])N1CCn2c(C1)nn(C)c2=O
Cc1nc(N2CCn3c(nn(C)c3=O)C2)c2c(CC(C)C)csc2n1 CC(C)[*:1] Cc1nc(c2c(csc2n1)C[*:1])N1CCn2c(C1)nn(C)c2=O
O=C(Cc1cc(F)ccc1Br)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(Cc1cc(F)ccc1Br)N[C@@H](CO)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)Cn1ncc(=O)c2ccccc21 CNC(=O)[*:1] C[C@@H](CN(C)C(=O)Cn1ncc(=O)c2ccccc21)[*:1]
COc1cc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc(OC)c1OC c1csc(c1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
NC(=S)N/N=C/c1c[nH]c2cc(C(F)(F)F)ccc12 FC(F)(F)[*:1] NC(=S)N/N=C/c1c[nH]c2cc(ccc12)[*:1]
NC(=S)N/N=C/c1c[nH]c2cc(C(F)(F)F)ccc12 NC(=S)NN=C[*:1] FC(F)(F)c1ccc2c(c[nH]c2c1)[*:1]
CCc1ccc(O)c(NC(=O)[C@H](N)c2ccccc2)c1 c1ccc(cc1)[*:1] CCc1ccc(O)c(c1)NC(=O)[C@H](N)[*:1]
C#CCOc1c(C(F)(F)F)nn(-c2ccccc2)c1C FC(F)(F)[*:1] C#CCOc1c(nn(-c2ccccc2)c1C)[*:1]
C#CCOc1c(C(F)(F)F)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] C#CCOc1c(nn(c1C)[*:1])C(F)(F)F
C#CCOc1c(C(F)(F)F)nn(-c2ccccc2)c1C C#CC[*:1] Cc1c(O[*:1])c(nn1-c1ccccc1)C(F)(F)F
C#CCOc1c(C(F)(F)F)nn(-c2ccccc2)c1C C#CCO[*:1] Cc1c(c(nn1-c1ccccc1)C(F)(F)F)[*:1]
C[C@@H]1OCC[C@H]1NCC1([NH+]2CCCCC2)CCOCC1 C[C@@H]1OCC[C@@H]1[*:1] C1CC[NH+](CC1)C1(CCOCC1)CN[*:1]
COc1cccc(N2CCc3nc(N)c(C#N)c(-c4ccoc4)c3C2)c1 COc1cccc(c1)[*:1] N#Cc1c(N)nc2CCN(Cc2c1-c1ccoc1)[*:1]
COc1cccc(N2CCc3nc(N)c(C#N)c(-c4ccoc4)c3C2)c1 c1cc(co1)[*:1] COc1cccc(c1)N1CCc2nc(N)c(C#N)c(c2C1)[*:1]
C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C1)C(C)(C)C)c1ccc(cc1)[*:1]
C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([S@](C)=O)cc1 CC(C)(C)[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C1)[*:1])c1ccc(cc1)[S@](C)=O
C/C(NCCO)=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O OCCN[*:1] CC(=C1C(=O)NC(=O)N(C1=O)c1ccccc1C)[*:1]
C/C(NCCO)=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O Cc1ccccc1[*:1] C/C(NCCO)=C1\C(=O)NC(=O)N(C1=O)[*:1]
C/C(NCCO)=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O OCC[*:1] C/C(N[*:1])=C1\C(=O)NC(=O)N(C1=O)c1ccccc1C
C[C@@H](c1cccs1)N(C)C(=O)CSc1nnc(C(C)(C)C)o1 C[C@@H](c1cccs1)[*:1] CN(C(=O)CSc1nnc(o1)C(C)(C)C)[*:1]
C[C@@H](c1cccs1)N(C)C(=O)CSc1nnc(C(C)(C)C)o1 c1csc(c1)[*:1] C[C@@H](N(C)C(=O)CSc1nnc(o1)C(C)(C)C)[*:1]
C[C@@H](c1cccs1)N(C)C(=O)CSc1nnc(C(C)(C)C)o1 CC(C)(C)[*:1] C[C@@H](c1cccs1)N(C)C(=O)CSc1nnc(o1)[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc2noc(-c3ccccc3)c2c1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)[O-])c1ccc2noc(-c3ccccc3)c2c1
O=C(N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc2noc(-c3ccccc3)c2c1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])c1ccc2noc(-c3ccccc3)c2c1
O=C(N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc2noc(-c3ccccc3)c2c1 c1ccc(cc1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc2noc(c2c1)[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc2noc(-c3ccccc3)c2c1 O=C([O-])[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1ccc2noc(-c3ccccc3)c2c1
COc1cc[nH+]c(N2CC[NH+](C3CCC(C)CC3)CC2)c1 CC1CCC(CC1)[*:1] COc1cc[nH+]c(c1)N1CC[NH+](CC1)[*:1]
CC1=NC(SCc2ccc(F)cc2)=N[C@H](c2ccc(C)cc2)/C1=C(/N)[O-] Fc1ccc(cc1)[*:1] CC1=NC(=N[C@@H](/C1=C(/N)[O-])c1ccc(C)cc1)SC[*:1]
CC1=NC(SCc2ccc(F)cc2)=N[C@H](c2ccc(C)cc2)/C1=C(/N)[O-] Fc1ccc(cc1)C[*:1] CC1=NC(=N[C@@H](/C1=C(/N)[O-])c1ccc(C)cc1)S[*:1]
CC1=NC(SCc2ccc(F)cc2)=N[C@H](c2ccc(C)cc2)/C1=C(/N)[O-] Cc1ccc(cc1)[*:1] CC1=NC(=N[C@H](/C1=C(/N)[O-])[*:1])SCc1ccc(F)cc1
CCC[C@H]1CN(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)CCO1 CCC[*:1] O=C(Nc1ccc(cc1)OC[C@@H]1CCCO1)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)CCO1 C1CO[C@@H](C1)C[*:1] CCC[C@H]1CN(CCO1)C(=O)Nc1ccc(cc1)O[*:1]
CCC[C@H]1CN(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)CCO1 C1CO[C@@H](C1)[*:1] CCC[C@H]1CN(CCO1)C(=O)Nc1ccc(cc1)OC[*:1]
CCC[C@H]1CN(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)CCO1 C1CO[C@@H](C1)CO[*:1] CCC[C@H]1CN(CCO1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(C)s3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1nnc(s1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(C)s3)C2)cc1 Cc1nnc(s1)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)[*:1]
CCN(CC)c1ncnc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] CCN(CC)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1cccc[nH+]1
CCN(CC)c1ncnc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(CC)c1ncnc(c1[*:1])N1CCN(CC1)c1cccc[nH+]1
N#Cc1ccc(-c2ccc(S(=O)(=O)/N=c3/cccc(N)[nH]3)cc2)cc1 N#Cc1ccc(cc1)[*:1] Nc1ccc/c(=N/S(=O)(=O)c2ccc(cc2)[*:1])[nH]1
Cc1ccc([O-])c(C[C@H](NC=O)C(=O)[O-])[nH+]1 O=C([O-])[*:1] Cc1ccc([O-])c(C[C@H](NC=O)[*:1])[nH+]1
Cc1ccc([O-])c(C[C@H](NC=O)C(=O)[O-])[nH+]1 O=CN[*:1] Cc1ccc([O-])c(C[C@H](C(=O)[O-])[*:1])[nH+]1
Nc1cnn(-c2ccccc2)c1C(F)F FC(F)[*:1] Nc1cnn(-c2ccccc2)c1[*:1]
COc1cc(C[C@H](C)C[NH2+]C(C)C)cc(OC)c1 CC(C)[*:1] COc1cc(cc(c1)OC)C[C@H](C)C[NH2+][*:1]
O=C(NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)c1ccncc1 c1cc(ccn1)[*:1] O=C(c1cc2ccccc2[nH]1)N1CCC(CC1)NC(=O)[*:1]
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3N3CCOCC3)c2)c1 Cc1cccc(c1)NS(=O)(=O)[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccc(c1)[*:1]
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3N3CCOCC3)c2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)NS(=O)(=O)c1cccc(c1)C(=O)N(C)Cc1ccccc1[*:1]
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3N3CCOCC3)c2)c1 Cc1cccc(c1)[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CC[C@H]2c2ccccc2)s1 Cc1ccc(s1)[*:1] O=S(=O)(N1CC[C@H]1c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N2CC[C@H]2c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)S(=O)(=O)N1CC[C@@H]1[*:1]
CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cccc([N+](=O)[O-])c3)oc12 CCO[*:1] C[C@@H]([NH2+]Cc1cccc(c1)[N+](=O)[O-])c1cc2cccc(c2o1)[*:1]
CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cccc([N+](=O)[O-])c3)oc12 O=[N+]([O-])[*:1] CCOc1cccc2cc(oc12)[C@@H](C)[NH2+]Cc1cccc(c1)[*:1]
COc1cccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
COc1cccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)[*:1]
COC1CCN(C(=O)C(=O)Nc2cc(F)ccc2OC(C)C)CC1 CC(C)[*:1] COC1CCN(CC1)C(=O)C(=O)Nc1cc(F)ccc1O[*:1]
COC1CCN(C(=O)C(=O)Nc2cc(F)ccc2OC(C)C)CC1 CC(C)O[*:1] COC1CCN(CC1)C(=O)C(=O)Nc1cc(F)ccc1[*:1]
COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)c(CN2CCOCC2)c1 C1CN(CCO1)[*:1] COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)c(c1)C[*:1]
COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)c(CN2CCOCC2)c1 C1CN(CCO1)C[*:1] COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)c(c1)[*:1]
Cc1ncc(C(=O)Nc2scnc2C2CC2)s1 C1CC1[*:1] Cc1ncc(s1)C(=O)Nc1scnc1[*:1]
C[C@@H](c1ccccc1)S(=O)(=O)Cc1ccccc1Cl c1ccc(cc1)[*:1] C[C@@H](S(=O)(=O)Cc1ccccc1Cl)[*:1]
CC(C)C1(C[NH2+]C2CCN(c3nccs3)CC2)CC1 CC(C)C1(CC1)[*:1] c1csc(n1)N1CCC(CC1)[NH2+]C[*:1]
CC(C)C1(C[NH2+]C2CCN(c3nccs3)CC2)CC1 c1csc(n1)[*:1] CC(C)C1(CC1)C[NH2+]C1CCN(CC1)[*:1]
CC(C)C1(C[NH2+]C2CCN(c3nccs3)CC2)CC1 CC(C)[*:1] c1csc(n1)N1CCC(CC1)[NH2+]CC1(CC1)[*:1]
CC(C)n1c([C@@H](C)N[C@@H](C)c2cc(F)c(F)c(F)c2)nc2ccccc21 CC(C)[*:1] C[C@H](N[C@H](C)c1nc2ccccc2n1[*:1])c1cc(F)c(F)c(F)c1
CCC[C@@H](C)CC(=O)NC[C@H](O)c1c(F)cccc1F CCC[C@@H](C)[*:1] O=C(C[*:1])NC[C@H](O)c1c(F)cccc1F
CCC[C@@H](C)CC(=O)NC[C@H](O)c1c(F)cccc1F CCC[C@@H](C)C[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)[*:1]
CCC[C@@H](C)CC(=O)NC[C@H](O)c1c(F)cccc1F CCC[*:1] C[C@@H](CC(=O)NC[C@H](O)c1c(F)cccc1F)[*:1]
CCCOCC(=O)N1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1 OC1CCN(CC1)[*:1] CCCOCC(=O)N1CCc2nc(nc(c2C1)[*:1])N(C)C
CCCOCC(=O)N1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1 CN(C)[*:1] CCCOCC(=O)N1CCc2nc(nc(c2C1)N1CCC(O)CC1)[*:1]
CCCOCC(=O)N1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1 CCCOC[*:1] CN(C)c1nc2CCN(Cc2c(n1)N1CCC(O)CC1)C(=O)[*:1]
CCCOCC(=O)N1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1 CCC[*:1] CN(C)c1nc2CCN(Cc2c(n1)N1CCC(O)CC1)C(=O)CO[*:1]
CCCOCC(=O)N1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1 CCCO[*:1] CN(C)c1nc2CCN(Cc2c(n1)N1CCC(O)CC1)C(=O)C[*:1]
CCCNC(=O)N1CCCCCCC1 CCC[*:1] O=C(N[*:1])N1CCCCCCC1
CCCc1c(C)nn(-c2ncccc2[N+](=O)[O-])c1C CCC[*:1] Cc1nn(-c2ncccc2[N+](=O)[O-])c(C)c1[*:1]
CCCc1c(C)nn(-c2ncccc2[N+](=O)[O-])c1C O=[N+]([O-])[*:1] CCCc1c(C)nn(-c2ncccc2[*:1])c1C
CC(=O)Nc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CC2)cc1 CC(=O)N[*:1] O=C(NCC1(CC1)c1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C(=O)NCC1(CC1)[*:1]
C[C@](Nc1ncc([N+](=O)[O-])cc1Br)(C(=O)[O-])C1CC1 O=[N+]([O-])[*:1] C[C@](Nc1ncc(cc1Br)[*:1])(C(=O)[O-])C1CC1
C[C@](Nc1ncc([N+](=O)[O-])cc1Br)(C(=O)[O-])C1CC1 O=C([O-])[*:1] C[C@](Nc1ncc(cc1Br)[N+](=O)[O-])(C1CC1)[*:1]
C[C@](Nc1ncc([N+](=O)[O-])cc1Br)(C(=O)[O-])C1CC1 C1CC1[*:1] C[C@](Nc1ncc(cc1Br)[N+](=O)[O-])(C(=O)[O-])[*:1]
Cc1cc(C)n2c(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3cccs3)nnc2n1 c1csc(c1)[*:1] Cc1cc(C)n2c(nnc2n1)SCC(=O)Nc1c(C#N)c(C)c(C)n1C[*:1]
Cc1cc(C)n2c(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3cccs3)nnc2n1 c1csc(c1)C[*:1] Cc1cc(C)n2c(nnc2n1)SCC(=O)Nc1c(C#N)c(C)c(C)n1[*:1]
Cc1cc(C)nc(SCc2c(C(=O)N3CCCC[C@H]3C)nnn2-c2ccccc2)n1 Cc1cc(C)nc(n1)S[*:1] C[C@@H]1CCCCN1C(=O)c1nnn(-c2ccccc2)c1C[*:1]
Cc1cc(C)nc(SCc2c(C(=O)N3CCCC[C@H]3C)nnn2-c2ccccc2)n1 Cc1cc(C)nc(n1)[*:1] C[C@@H]1CCCCN1C(=O)c1nnn(-c2ccccc2)c1CS[*:1]
Cc1cc(C)nc(SCc2c(C(=O)N3CCCC[C@H]3C)nnn2-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)SCc1c(nnn1[*:1])C(=O)N1CCCC[C@H]1C
Cc1cc(C)nc(SCc2c(C(=O)N3CCCC[C@H]3C)nnn2-c2ccccc2)n1 Cc1cc(C)nc(n1)SC[*:1] C[C@@H]1CCCCN1C(=O)c1nnn(-c2ccccc2)c1[*:1]
CC(C)c1cccc(OCC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1 CC(C)[*:1] CS(=O)(=O)Nc1ccc(cc1Cl)NC(=O)COc1cccc(c1)[*:1]
CC(C)c1cccc(OCC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1 CS(=O)(=O)N[*:1] CC(C)c1cccc(c1)OCC(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3sc(C)c(C)c3c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1sc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n(c(=O)c2c1C)[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3sc(C)c(C)c3c2=O)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-n1c(nc2sc(C)c(C)c2c1=O)SCC(=O)Nc1ccccc1[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3sc(C)c(C)c3c2=O)cc1 O=[N+]([O-])c1ccccc1[*:1] Cc1ccc(cc1)-n1c(nc2sc(C)c(C)c2c1=O)SCC(=O)N[*:1]
C[C@H]([NH2+][C@H](CCO)C1CC1)c1cnc2ccsc2c1 OCC[*:1] C[C@H]([NH2+][C@H](C1CC1)[*:1])c1cnc2ccsc2c1
C[C@H]([NH2+][C@H](CCO)C1CC1)c1cnc2ccsc2c1 C1CC1[*:1] C[C@H]([NH2+][C@H](CCO)[*:1])c1cnc2ccsc2c1
COc1ccccc1C[C@@H](C)N(C)Cc1noc(-c2ccoc2)n1 COc1ccccc1[*:1] C[C@H](C[*:1])N(C)Cc1noc(n1)-c1ccoc1
COc1ccccc1C[C@@H](C)N(C)Cc1noc(-c2ccoc2)n1 c1cc(co1)[*:1] COc1ccccc1C[C@@H](C)N(C)Cc1noc(n1)[*:1]
COc1ccc(CCNC(=O)Cn2c(=O)c3cccn3c3ccc(F)cc32)cc1OC COc1ccc(cc1OC)[*:1] O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCC[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 c1ncn(n1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cc(Cl)ccc1[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])Nc1cc(Cl)ccc1-n1cncn1
Cc1ccc(C)c(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=S(=O)(NCc1ccc(cc1)Cn1cccn1)[*:1]
Cc1ccc(C)c(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)c1 c1cnn(c1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NCc1ccc(cc1)C[*:1]
Cc1ccc(C)c(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)c1 c1cnn(c1)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NCc1ccc(cc1)[*:1]
C[C@H]1OCC[C@H]1/C([O-])=N/c1nc(-c2ccoc2)n[nH]1 c1cc(co1)[*:1] C[C@H]1OCC[C@H]1/C([O-])=N/c1nc(n[nH]1)[*:1]
c1ccc(OC2CCCC2)c(CNCCc2cscn2)c1 c1nc(cs1)C[*:1] c1ccc(OC2CCCC2)c(c1)CNC[*:1]
c1ccc(OC2CCCC2)c(CNCCc2cscn2)c1 C1CCC(C1)[*:1] c1ccc(O[*:1])c(c1)CNCCc1cscn1
c1ccc(OC2CCCC2)c(CNCCc2cscn2)c1 C1CCC(C1)O[*:1] c1ccc(c(c1)CNCCc1cscn1)[*:1]
c1ccc(OC2CCCC2)c(CNCCc2cscn2)c1 c1nc(cs1)CC[*:1] c1ccc(OC2CCCC2)c(c1)CN[*:1]
c1ccc(OC2CCCC2)c(CNCCc2cscn2)c1 c1nc(cs1)[*:1] c1ccc(OC2CCCC2)c(c1)CNCC[*:1]
O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 O=C(c1cccnc1)[*:1] O=C1N[C@H](c2ccc3OCOc3c2)[C@@H]([C@](O)(N1)C(F)(F)F)[*:1]
O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 FC(F)(F)[*:1] O=C1N[C@H](c2ccc3OCOc3c2)[C@@H](C(=O)c2cccnc2)[C@@](O)(N1)[*:1]
O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 c1cncc(c1)[*:1] O=C1N[C@H](c2ccc3OCOc3c2)[C@@H](C(=O)[*:1])[C@](O)(N1)C(F)(F)F
O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 c1cc2OCOc2cc1[*:1] O=C1N[C@H]([C@@H](C(=O)c2cccnc2)[C@](O)(N1)C(F)(F)F)[*:1]
CCOc1ccc(CCC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)cc1 CCOc1ccc(cc1)C[*:1] Cc1nc(ncc1C(=O)N1CCCC1)[C@@H]1CCCN1C(=O)C[*:1]
CCOc1ccc(CCC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)cc1 O=C(N1CCCC1)[*:1] CCOc1ccc(cc1)CCC(=O)N1CCC[C@H]1c1ncc(c(C)n1)[*:1]
CCOc1ccc(CCC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)cc1 CCO[*:1] Cc1nc(ncc1C(=O)N1CCCC1)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)[*:1]
CCOc1ccc(CCC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)cc1 CCOc1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)N1CCCC1)[C@@H]1CCCN1C(=O)CC[*:1]
CCN(C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1)C1CCCCC1 c1ccc(cc1)[*:1] CCN(C(=O)N[C@@H](C)c1noc(C[*:1])n1)C1CCCCC1
CCN(C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1)[*:1]
CCN(C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1)C1CCCCC1 c1ccc(cc1)C[*:1] CCN(C(=O)N[C@@H](C)c1noc(n1)[*:1])C1CCCCC1
Cc1ccc(OCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c(C)c1 NC(=O)[*:1] Cc1ccc(OCCC(=O)N2Cc3ccccc3C[C@@H]2[*:1])c(C)c1
Cc1ccc(OCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCO[*:1]
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1OC[*:1]
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1O[*:1]
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1OCc1ccc(C)cc1 COC(=O)[*:1] CC1Nc2nnnn2[C@H](C=1[*:1])c1cc(Br)ccc1OCc1ccc(C)cc1
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)CO[*:1] COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1[*:1]
Cc1cn(-c2ccccc2)nc1NC(=O)N1C[C@H]2CCCC[C@H]2C1 c1ccc(cc1)[*:1] Cc1cn(nc1NC(=O)N1C[C@H]2CCCC[C@H]2C1)[*:1]
C[C@@H](O)c1cc(F)ccc1OCc1ccc(F)cc1 C[C@@H](O)[*:1] Fc1ccc(cc1)COc1ccc(F)cc1[*:1]
O=C(Cn1c(=O)[nH]c2ccccc21)NC[C@@H](O)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)NC[C@@H](O)[*:1]
Cc1cccc(C(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1C O=C([O-])[*:1] Cc1cccc(C(=O)[C@H](C)[C@@H](C)[*:1])c1C
Cc1cc(C(=O)N2CCC(Cn3cnc4cc(C)c(C)cc43)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1cc2ncn(CC3CCN(CC3)C(=O)[*:1])c2cc1C
CC[NH2+]CCC(C)(C)c1ccc(C(C)C)cc1 CC(C)[*:1] CC[NH2+]CCC(C)(C)c1ccc(cc1)[*:1]
CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1Br O=C([O-])[*:1] CC(C)(C)C(=O)Nc1ccc(cc1Br)[*:1]
CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1Br CC(C)(C)[*:1] O=C([O-])c1ccc(NC(=O)[*:1])c(Br)c1
Cn1ccnc1C[NH+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 c1cncc(c1)C[*:1] Cn1ccnc1C[NH+](CC1CC[NH+](CC1)C1CCCC1)[*:1]
Cn1ccnc1C[NH+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 Cn1ccnc1[*:1] c1cncc(c1)C[NH+](CC1CC[NH+](CC1)C1CCCC1)C[*:1]
Cn1ccnc1C[NH+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 c1cncc(c1)[*:1] Cn1ccnc1C[NH+](CC1CC[NH+](CC1)C1CCCC1)C[*:1]
Cn1ccnc1C[NH+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 Cn1ccnc1C[*:1] c1cncc(c1)C[NH+](CC1CC[NH+](CC1)C1CCCC1)[*:1]
Cn1ccnc1C[NH+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] Cn1ccnc1C[NH+](Cc1cccnc1)CC1CC[NH+](CC1)[*:1]
CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)Oc1ccc2cn[nH]c2c1 CS(=O)(=O)[*:1] O=C(Oc1ccc2cn[nH]c2c1)[C@H](Cc1ccccc1)[*:1]
CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)Oc1ccc2cn[nH]c2c1 c1ccc(cc1)C[*:1] CS(=O)(=O)[C@@H](C(=O)Oc1ccc2cn[nH]c2c1)[*:1]
CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)Oc1ccc2cn[nH]c2c1 c1ccc(cc1)[*:1] CS(=O)(=O)[C@@H](C[*:1])C(=O)Oc1ccc2cn[nH]c2c1
O=c1/c(=C\c2ccccc2O)sc2nc3ccccc3n12 Oc1ccccc1[*:1] O=c1c(=C[*:1])sc2nc3ccccc3n12
C#CCNC(=O)c1cccc(C#N)c1 C#CC[*:1] N#Cc1cccc(c1)C(=O)N[*:1]
O=C(NCCCO)c1ncccc1C(F)(F)F OCC[*:1] O=C(NC[*:1])c1ncccc1C(F)(F)F
O=C(NCCCO)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCCCO)c1ncccc1[*:1]
O=C(NCCCO)c1ncccc1C(F)(F)F OCCC[*:1] O=C(N[*:1])c1ncccc1C(F)(F)F
CC[C@@H](C)[C@](C)(O)CNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C CC[C@@H](C)[*:1] Cc1c(/C=C(/C#N)C(=O)NC[C@](C)(O)[*:1])cc(C#N)n1C
COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCC2 Clc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)C=C[*:1])sc2CCCc21
COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCC2 COC(=O)[*:1] O=C(/C=C/c1ccc(Cl)cc1)Nc1sc2CCCc2c1[*:1]
CCn1ccnc1S[C@H](C(=O)NC(=O)NC)c1ccccc1 CCn1ccnc1[*:1] CNC(=O)NC(=O)[C@@H](S[*:1])c1ccccc1
CCn1ccnc1S[C@H](C(=O)NC(=O)NC)c1ccccc1 CNC(=O)NC(=O)[*:1] CCn1ccnc1S[C@H](c1ccccc1)[*:1]
CCn1ccnc1S[C@H](C(=O)NC(=O)NC)c1ccccc1 c1ccc(cc1)[*:1] CCn1ccnc1S[C@H](C(=O)NC(=O)NC)[*:1]
C=CCN(CC(=O)[O-])C(=O)c1ccc(N(C)C)nc1 CN(C)[*:1] C=CCN(CC(=O)[O-])C(=O)c1ccc(nc1)[*:1]
C=CCN(CC(=O)[O-])C(=O)c1ccc(N(C)C)nc1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)c1ccc(nc1)N(C)C
C=CCN(CC(=O)[O-])C(=O)c1ccc(N(C)C)nc1 C=CC[*:1] CN(C)c1ccc(cn1)C(=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])C(=O)c1ccc(N(C)C)nc1 O=C([O-])C[*:1] C=CCN(C(=O)c1ccc(nc1)N(C)C)[*:1]
CC(C)c1cc(Br)ccc1NC(=O)C1=CCCCO1 CC(C)[*:1] O=C(Nc1ccc(Br)cc1[*:1])C1=CCCCO1
CN(CCC(F)(F)F)c1nc(C2CC2)ns1 FC(F)(F)[*:1] CN(CC[*:1])c1nc(ns1)C1CC1
CN(CCC(F)(F)F)c1nc(C2CC2)ns1 C1CC1[*:1] CN(CCC(F)(F)F)c1nc(ns1)[*:1]
CN(CCC(F)(F)F)c1nc(C2CC2)ns1 FC(F)(F)C[*:1] CN(C[*:1])c1nc(ns1)C1CC1
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)C[NH3+] CC(C)(C)[*:1] [NH3+]CC(=O)NC[C@H]1CCCN1C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)C[NH3+] [NH3+]CC(=O)NC[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)C[NH3+] [NH3+]CC(=O)N[*:1] CC(C)(C)OC(=O)N1CCC[C@@H]1C[*:1]
COc1ncnc(N)c1C[NH+]1CCC(Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] COc1ncnc(N)c1C[NH+]1CCC(CC1)C[*:1]
COc1ncnc(N)c1C[NH+]1CCC(Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] COc1ncnc(N)c1C[NH+]1CCC(CC1)[*:1]
Cn1nc([C@H]2CCCN(C(=O)c3cc(-c4ccco4)on3)C2)n(-c2ccccc2)c1=O c1coc(c1)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)c2cc(on2)[*:1])n(-c2ccccc2)c1=O
Cn1nc([C@H]2CCCN(C(=O)c3cc(-c4ccco4)on3)C2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)c2cc(on2)-c2ccco2)n(c1=O)[*:1]
Cn1nc([C@H]2CCCN(C(=O)c3cc(-c4ccco4)on3)C2)n(-c2ccccc2)c1=O c1coc(c1)-c1cc(no1)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)[*:1])n(-c2ccccc2)c1=O
COc1ccccc1Nc1nn(CN2CCN(c3cccc(Cl)c3)CC2)c(=S)s1 Clc1cccc(c1)[*:1] COc1ccccc1Nc1nn(CN2CCN(CC2)[*:1])c(=S)s1
COc1ccccc1Nc1nn(CN2CCN(c3cccc(Cl)c3)CC2)c(=S)s1 COc1ccccc1[*:1] S=c1sc(nn1CN1CCN(CC1)c1cccc(Cl)c1)N[*:1]
COc1ccccc1Nc1nn(CN2CCN(c3cccc(Cl)c3)CC2)c(=S)s1 COc1ccccc1N[*:1] S=c1sc(nn1CN1CCN(CC1)c1cccc(Cl)c1)[*:1]
CCOC(=O)c1ccc(NC(=O)NCc2n[nH]c(=O)c3ccccc23)cc1 CCOC(=O)[*:1] O=C(NCc1n[nH]c(=O)c2ccccc12)Nc1ccc(cc1)[*:1]
COc1ccccc1OC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 C[C@@H](c1ccccc1)[*:1] COc1ccccc1OC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccccc1OC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 c1ccc(cc1)[*:1] COc1ccccc1OC(=O)[C@H]1CC(=O)N(C1)[C@@H](C)[*:1]
COc1ccccc1OC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 COc1ccccc1[*:1] C[C@@H](c1ccccc1)N1C[C@H](CC1=O)C(=O)O[*:1]
COc1cc(NC(=O)C2CCCCC2)cc2sc(NC(C)=O)nc12 C1CCC(CC1)[*:1] COc1cc(cc2sc(nc12)NC(C)=O)NC(=O)[*:1]
COc1cc(NC(=O)C2CCCCC2)cc2sc(NC(C)=O)nc12 CC(=O)N[*:1] COc1cc(cc2sc(nc12)[*:1])NC(=O)C1CCCCC1
C[C@@H]1Sc2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2NC1=O CN(C)S(=O)(=O)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)Nc1ccc(cc1)[*:1]
CCCN(CCC)C(=O)c1cnccn1 CCC[*:1] CCCN(C(=O)c1cnccn1)[*:1]
O=C(Nc1cccc(F)c1)c1cc(OCc2ccccc2)no1 Fc1cccc(c1)[*:1] O=C(N[*:1])c1cc(no1)OCc1ccccc1
O=C(Nc1cccc(F)c1)c1cc(OCc2ccccc2)no1 c1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)c1cc(no1)OC[*:1]
O=C(Nc1cccc(F)c1)c1cc(OCc2ccccc2)no1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(F)c1)c1cc(no1)O[*:1]
Cc1cc(NC(=O)c2ncccc2OC(C)C)nc(C(C)C)n1 CC(C)O[*:1] Cc1cc(nc(n1)C(C)C)NC(=O)c1ncccc1[*:1]
Cc1cc(NC(=O)c2ncccc2OC(C)C)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)C(C)C)NC(=O)c1ncccc1O[*:1]
Cc1cc(NC(=O)c2ncccc2OC(C)C)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])NC(=O)c1ncccc1OC(C)C
CCN(CC)c1ccc(-c2nnc(S[C@@H]3C[C@H](C)OC3=O)n2CC)cc1 CCN(CC)[*:1] CCn1c(nnc1-c1ccc(cc1)[*:1])S[C@@H]1C[C@H](C)OC1=O
COc1cccc([C@@H]2CCCN2C(=O)c2ccc([S@](=O)C(C)C)cc2)c1 COc1cccc(c1)[*:1] CC(C)[S@@](=O)c1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
COc1cccc([C@@H]2CCCN2C(=O)c2ccc([S@](=O)C(C)C)cc2)c1 CC(C)[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)c1ccc(cc1)[S@](=O)[*:1]
CC(C)(C)C[C@H]1CCCN1C(=O)NCCCOC1CCOCC1 CC(C)(C)C[*:1] O=C(NCCCOC1CCOCC1)N1CCC[C@@H]1[*:1]
CC(C)(C)C[C@H]1CCCN1C(=O)NCCCOC1CCOCC1 C1CC(CCO1)O[*:1] CC(C)(C)C[C@H]1CCCN1C(=O)NCCC[*:1]
CC(C)(C)C[C@H]1CCCN1C(=O)NCCCOC1CCOCC1 C1CC(CCO1)[*:1] CC(C)(C)C[C@H]1CCCN1C(=O)NCCCO[*:1]
CC(C)(C)C[C@H]1CCCN1C(=O)NCCCOC1CCOCC1 CC(C)(C)[*:1] O=C(NCCCOC1CCOCC1)N1CCC[C@@H]1C[*:1]
O=C(NCc1cccnc1)c1cc(C2CC2)nn1-c1ccccc1 c1cncc(c1)C[*:1] O=C(N[*:1])c1cc(nn1-c1ccccc1)C1CC1
O=C(NCc1cccnc1)c1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1cc(nn1[*:1])C1CC1
O=C(NCc1cccnc1)c1cc(C2CC2)nn1-c1ccccc1 C1CC1[*:1] O=C(NCc1cccnc1)c1cc(nn1-c1ccccc1)[*:1]
O=C(NCc1cccnc1)c1cc(C2CC2)nn1-c1ccccc1 c1cncc(c1)[*:1] O=C(NC[*:1])c1cc(nn1-c1ccccc1)C1CC1
C[C@@H](C(=O)N(C)CC(N)=O)N1CC[NH2+]CC1 NC(=O)[*:1] C[C@@H](C(=O)N(C)C[*:1])N1CC[NH2+]CC1
C[C@@H](C(=O)N(C)CC(N)=O)N1CC[NH2+]CC1 NC(=O)C[*:1] C[C@@H](C(=O)N(C)[*:1])N1CC[NH2+]CC1
CCN1CCO[C@@H](c2noc([C@H]([NH3+])c3ccccc3)n2)C1 c1ccc(cc1)[*:1] CCN1CCO[C@H](C1)c1noc(n1)[C@H]([NH3+])[*:1]
N#CCNC(=O)c1ccnc(OC2CCC2)c1 N#CC[*:1] O=C(N[*:1])c1ccnc(c1)OC1CCC1
N#CCNC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] N#CCNC(=O)c1ccnc(c1)O[*:1]
N#CCNC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] N#CCNC(=O)c1ccnc(c1)[*:1]
C[C@@H](CO)NC(=O)N[C@@H](C)Cc1cccs1 C[C@@H](CO)[*:1] C[C@@H](Cc1cccs1)NC(=O)N[*:1]
C[C@@H](CO)NC(=O)N[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] C[C@@H](CO)NC(=O)N[C@@H](C)C[*:1]
CN(CC1CC1)C(=O)c1ccc(C(C)(C)C)cc1 C1CC1[*:1] CN(C[*:1])C(=O)c1ccc(cc1)C(C)(C)C
CN(CC1CC1)C(=O)c1ccc(C(C)(C)C)cc1 C1CC1C[*:1] CN(C(=O)c1ccc(cc1)C(C)(C)C)[*:1]
CN(CC1CC1)C(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CN(CC1CC1)C(=O)c1ccc(cc1)[*:1]
O=C1CCCc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)ccc2N1 Clc1ccc(cc1)C[*:1] O=C1CCCc2cc(ccc2N1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
O=C1CCCc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)ccc2N1 Clc1ccc(cc1)[*:1] O=C1CCCc2cc(ccc2N1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
CCCc1nc2ccccc2n1CC(=O)NC[C@H]1CCCO1 CCC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])NC[C@H]1CCCO1
CCCc1nc2ccccc2n1CC(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCCc1nc2ccccc2n1CC(=O)NC[*:1]
CCCc1nc2ccccc2n1CC(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CCCc1nc2ccccc2n1CC(=O)N[*:1]
Cn1c(C2CC2)nc2cc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)/N=C/c1cc(ccc1[O-])[N+](=O)[O-])[*:1]
Cn1c(C2CC2)nc2cc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])ccc21 O=[N+]([O-])[*:1] Cn1c(nc2cc(ccc21)/N=C/c1cc(ccc1[O-])[*:1])C1CC1
O=C(NCc1ccccc1F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F O=S(=O)(N1CCOCC1)[*:1] O=C(NCc1ccccc1F)c1cc(ccc1F)[*:1]
O=C(NCc1ccccc1F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F Fc1ccccc1C[*:1] O=C(N[*:1])c1cc(ccc1F)S(=O)(=O)N1CCOCC1
O=C(NCc1ccccc1F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F Fc1ccccc1[*:1] O=C(NC[*:1])c1cc(ccc1F)S(=O)(=O)N1CCOCC1
CCc1ccc([C@@H](C)C(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCC[C@@H](C1)N1CCNC1=O)[*:1]
CCc1ccc([C@@H](C)C(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1 O=C1NCCN1[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)N1CCC[C@H](C1)[*:1]
COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)[C@@H](C)S[*:1]
O=C(CBr)c1ccc(F)c(F)c1 O=C(CBr)[*:1] Fc1ccc(cc1F)[*:1]
C/C(CC(=O)Nc1ccc(C)c(C)c1)=N\NC(=O)c1ccc(Br)cc1 Cc1ccc(cc1C)[*:1] C/C(CC(=O)N[*:1])=N\NC(=O)c1ccc(Br)cc1
C/C(CC(=O)Nc1ccc(C)c(C)c1)=N\NC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C/C(CC(=O)Nc1ccc(C)c(C)c1)=N\NC(=O)[*:1]
CCOC(=O)C[C@@]1([NH3+])CCC[C@H](CC)C1 CCOC(=O)[*:1] CC[C@H]1CCC[C@@]([NH3+])(C1)C[*:1]
CCOc1ccc(-c2nnc(NC(=O)c3cccc(F)c3)o2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])-c1nnc(NC(=O)c2cccc(F)c2)o1
CCOc1ccc(-c2nnc(NC(=O)c3cccc(F)c3)o2)cc1OCC Fc1cccc(c1)[*:1] CCOc1ccc(cc1OCC)-c1nnc(NC(=O)[*:1])o1
CCOc1ccc(-c2nnc(NC(=O)c3cccc(F)c3)o2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])-c1nnc(NC(=O)c2cccc(F)c2)o1
COCc1nc2cc(NCc3ccc4c(c3)OCCO4)ccc2o1 COC[*:1] c1cc2OCCOc2cc1CNc1ccc2oc(nc2c1)[*:1]
CC[C@H](C)CN(C)C(=O)NCc1ccsc1 c1cc(cs1)[*:1] CC[C@H](C)CN(C)C(=O)NC[*:1]
CC[C@H](C)CN(C)C(=O)NCc1ccsc1 CC[C@H](C)C[*:1] CN(C(=O)NCc1ccsc1)[*:1]
CC[C@H](C)CN(C)C(=O)NCc1ccsc1 CC[C@H](C)[*:1] CN(C[*:1])C(=O)NCc1ccsc1
Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 Cc1nn(C)c(C)c1[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1
CO[C@H](CNc1nc2ccccc2c(=O)[nH]1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNc1nc2ccccc2c(=O)[nH]1)[*:1]
Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1nnn[n-]1 Cc1ncsc1[*:1] O=C(Cn1c(nc2ccccc21)[*:1])Nc1nnn[n-]1
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 CCC[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)C(=O)NC1CC[NH+](CC1)C[*:1]
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] CCCC[NH+]1CCC(CC1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 CCCC[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)C(=O)NC1CC[NH+](CC1)[*:1]
C[C@@H]1CN(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(C)(C)CO1 CS(=O)(=O)[*:1] C[C@@H]1CN(CC(=O)Nc2ccc(cc2)[*:1])C(C)(C)CO1
COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2cccs2)C2CC2)c1C COC(=O)[*:1] Cc1[nH]c(c(C)c1C(=O)[C@@H](C)N(C(=O)c1cccs1)C1CC1)[*:1]
COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2cccs2)C2CC2)c1C c1csc(c1)[*:1] COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)[*:1])C2CC2)c1C
COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2cccs2)C2CC2)c1C C1CC1[*:1] COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2cccs2)[*:1])c1C
O=C(Nc1nccs1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 c1cnn(c1)[*:1] O=C(Nc1nccs1)[C@H]1CCCN(C1)c1cc(ncn1)[*:1]
O=C(Nc1nccs1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 O=C(Nc1nccs1)[*:1] c1cnn(c1)-c1cc(ncn1)N1CCC[C@@H](C1)[*:1]
O=C(Nc1nccs1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 c1csc(n1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1cc(ncn1)-n1cccn1
CNC(=O)c1ccc(CN(C)C(=O)c2ccncc2F)cc1 CNC(=O)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1ccncc1F
CNC(=O)c1ccc(CN(C)C(=O)c2ccncc2F)cc1 Fc1cnccc1[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)[*:1]
CCCO[C@H]1CCCN(C(=O)COCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCCO[C@H]1CCCN(CC1)C(=O)CO[*:1]
CCCO[C@H]1CCCN(C(=O)COCc2ccccc2)CC1 CCCO[*:1] O=C(COCc1ccccc1)N1CCC[C@@H](CC1)[*:1]
CCCO[C@H]1CCCN(C(=O)COCc2ccccc2)CC1 CCC[*:1] O=C(COCc1ccccc1)N1CCC[C@@H](CC1)O[*:1]
CCCO[C@H]1CCCN(C(=O)COCc2ccccc2)CC1 c1ccc(cc1)[*:1] CCCO[C@H]1CCCN(CC1)C(=O)COC[*:1]
Cc1ccc(CN(C)C(=O)CN2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)CN(C)C(=O)CN1CCN(CC1)C(=O)N(C)[*:1]
Cc1ccc(CN(C)C(=O)CN2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 Cc1ccc(cc1)C[*:1] CN(Cc1ccccc1)C(=O)N1CCN(CC1)CC(=O)N(C)[*:1]
Cc1ccc(CN(C)C(=O)CN2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN(C)C(=O)CN1CCN(CC1)C(=O)N(C)C[*:1]
Cc1ccc(CN(C)C(=O)CN2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)CN1CCN(CC1)C(=O)N(C)Cc1ccccc1
Nc1nc(NCc2nnc(-c3ccccc3)s2)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Nc1nc(cc(n1)[*:1])NCc1nnc(s1)-c1ccccc1
Nc1nc(NCc2nnc(-c3ccccc3)s2)cc(-n2cccn2)n1 c1ccc(cc1)[*:1] Nc1nc(cc(n1)-n1cccn1)NCc1nnc(s1)[*:1]
O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)N1CCC2(C1)OCCO2 C1CCC(C1)[*:1] O=C(N[C@@H]1CCCC[C@H]1O[*:1])N1CCC2(C1)OCCO2
O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)N1CCC2(C1)OCCO2 C1CCC(C1)O[*:1] O=C(N[C@@H]1CCCC[C@@H]1[*:1])N1CCC2(C1)OCCO2
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCCOCCOCCOCCO2 CC(C)(C)[*:1] CC(C)(C)c1cc(cc2OCCOCCOCCOCCOc21)[*:1]
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCCOCCOCCOCCO2 CC(C)(C)[*:1] CC(C)(C)c1cc2OCCOCCOCCOCCOc2c(c1)[*:1]
Cc1cc(C)n(CC[C@@H]2CCC[C@@]2(CO)[NH2+]C2CC2)n1 C1CC1[*:1] Cc1cc(C)n(CC[C@@H]2CCC[C@@]2(CO)[NH2+][*:1])n1
O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(O)=N2)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C1c2cc(ccc2N=C(O)[C@@H]2CCCN12)NC(=O)[*:1]
COc1cc(C(=O)Nc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)Nc2nc3ccccc3s2)c(cc1OC)[*:1]
Cc1ccc(OCc2nc(C)cs2)c(S(=O)(=O)N(C)C)c1 Cc1csc(C[*:1])n1 Cc1ccc(O[*:1])c(c1)S(=O)(=O)N(C)C
Cc1ccc(OCc2nc(C)cs2)c(S(=O)(=O)N(C)C)c1 Cc1csc(n1)[*:1] Cc1ccc(OC[*:1])c(c1)S(=O)(=O)N(C)C
Cc1ccc(OCc2nc(C)cs2)c(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] Cc1ccc(OCc2nc(C)cs2)c(c1)[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 COC(=O)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1[*:1])c1cccnc1
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 c1cncc(c1)[*:1] COC(=O)C1=C(C)NC2CCCC(=O)C=2[C@H]1[*:1]
CN1C(=O)/C(=C(\SC2=N[C@@H]3[NH+]=c4ccccc4=C3N=N2)C(=O)[O-])c2ccccc21 O=C([O-])[*:1] CN1C(=O)/C(=C(\SC2N=NC3=c4ccccc4=[NH+][C@H]3N=2)[*:1])c2ccccc21
CCCC(=O)Nc1cccc(NC(=O)N2CCC[C@H](C)[C@H]2CO)c1 CCC[*:1] C[C@H]1CCCN(C(=O)Nc2cccc(c2)NC(=O)[*:1])[C@@H]1CO
CCCC(=O)Nc1cccc(NC(=O)N2CCC[C@H](C)[C@H]2CO)c1 CCCC(=O)N[*:1] C[C@H]1CCCN(C(=O)Nc2cccc(c2)[*:1])[C@@H]1CO
CC(=O)N[C@@H]1CCCN(C(=O)NCC2(Sc3ccccc3)CCCC2)C1 CC(=O)N[*:1] O=C(NCC1(CCCC1)Sc1ccccc1)N1CCC[C@H](C1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)NCC2(Sc3ccccc3)CCCC2)C1 c1ccc(cc1)S[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)NCC1(CCCC1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)NCC2(Sc3ccccc3)CCCC2)C1 c1ccc(cc1)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)NCC1(CCCC1)S[*:1]
O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)[C@H]2C=C(c3ccccn3)N=N2)CC1 Clc1ccc(cc1)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)[C@H]1C=C(N=N1)c1ccccn1
O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)[C@H]2C=C(c3ccccn3)N=N2)CC1 Clc1ccc(cc1)C[*:1] O=C([C@H]1C=C(N=N1)c1ccccn1)N1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)[C@H]2C=C(c3ccccn3)N=N2)CC1 c1ccc(nc1)[*:1] O=C(Cc1ccc(Cl)cc1)N1CCN(CC1)C(=O)[C@H]1C=C(N=N1)[*:1]
CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 CC(=O)N[*:1] Cc1sc(c(C(=O)O[C@@H](C)C(=O)Nc2ccc(cc2)C(N)=O)c1C)[*:1]
CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)c1ccc(cc1)[*:1] CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)N[*:1]
O=C(Nc1ccccc1-n1ccnn1)c1nnn[n-]1 c1cn(nn1)[*:1] O=C(Nc1ccccc1[*:1])c1nnn[n-]1
C#CCN(Cc1csc(-c2ccc(C)cc2)n1)[C@@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)[*:1] C#CCN(Cc1csc(n1)[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(Cc1csc(-c2ccc(C)cc2)n1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] Cc1ccc(cc1)-c1nc(cs1)CN([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)c1nccs1 c1csc(n1)[*:1] Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)[*:1]
Cc1cnc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)s1 CN(C)S(=O)(=O)[*:1] Cc1cnc(NC(=O)c2cc(c(C)o2)[*:1])s1
Cc1cnc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)s1 Cc1cnc(s1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)N[*:1]
CC[C@@H](C)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O CC[C@@H](C)C(=O)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc2CCCc2c1
CC[C@@H](C)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O CC[C@@H](C)C(=O)C[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])c1ccc2CCCc2c1
CC[C@@H](C)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O CC[C@@H](C)[*:1] C[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc2CCCc2c1
CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)c1ccccc1 CC(C)[*:1] C[C@H](NC(=O)[C@@H](C[*:1])NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1
CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[*:1]
CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)[*:1]
CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)c1ccccc1 CC(C)C[*:1] C[C@H](NC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)[*:1])c1ccccc1
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C\c2ccc3c(c2)OCO3)C1=O FC(F)O[*:1] C[C@]1(NC(=O)N(/N=C\c2ccc3OCOc3c2)C1=O)c1ccc(cc1)[*:1]
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C\c2ccc3c(c2)OCO3)C1=O FC(F)[*:1] C[C@]1(NC(=O)N(/N=C\c2ccc3OCOc3c2)C1=O)c1ccc(cc1)O[*:1]
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C\c2ccc3c(c2)OCO3)C1=O c1cc2OCOc2cc1[*:1] C[C@]1(NC(=O)N(N=C[*:1])C1=O)c1ccc(cc1)OC(F)F
C[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2nccn2C)cs1 Cn1ccnc1[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1nc(cs1)[*:1]
Cc1cc(C)c(NC(=O)CSCCCN2C(=O)c3ccccc3C2=O)c(Cl)c1 Cc1cc(C)c(c(Cl)c1)[*:1] O=C(CSCCCN1C(=O)c2ccccc2C1=O)N[*:1]
C[C@@]1(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)CCCc2ccccc21 c1ccc2c(c[nH]c2c1)[*:1] C[C@]1(CCCc2ccccc21)C(=O)N[C@@H](CO)C[*:1]
CCCCC(=O)c1ccc(OCCC)cc1 CCCC[*:1] CCCOc1ccc(cc1)C(=O)[*:1]
CCCCC(=O)c1ccc(OCCC)cc1 CCCO[*:1] CCCCC(=O)c1ccc(cc1)[*:1]
CCCCC(=O)c1ccc(OCCC)cc1 CCC[*:1] CCCOc1ccc(cc1)C(=O)C[*:1]
CCCCC(=O)c1ccc(OCCC)cc1 CCC[*:1] CCCCC(=O)c1ccc(cc1)O[*:1]
CSc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2C2CC2)c1 O=[N+]([O-])[*:1] CSc1ccc(c(c1)C(=O)N1CCOC[C@@H]1C1CC1)[*:1]
CSc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2C2CC2)c1 C1CC1[*:1] CSc1ccc(c(c1)C(=O)N1CCOC[C@H]1[*:1])[N+](=O)[O-]
O=C(C[NH+]1CCN(CC(F)(F)F)CC1)Nc1cccnc1Cl FC(F)(F)C[*:1] O=C(C[NH+]1CCN(CC1)[*:1])Nc1cccnc1Cl
O=C(C[NH+]1CCN(CC(F)(F)F)CC1)Nc1cccnc1Cl FC(F)(F)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])Nc1cccnc1Cl
O=C(C[NH+]1CCN(CC(F)(F)F)CC1)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(C[NH+]1CCN(CC1)CC(F)(F)F)N[*:1]
CCc1ccc(N2C[C@@H](C(=O)NCC3(O)CCSCC3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(NCC1(O)CCSCC1)[C@H]1CC(=O)N(C1)[*:1]
CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 C1CN(CCO1)C[*:1] CCOC(=O)C1=C(NC(=O)N[C@@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 C1CN(CCO1)[*:1] CCOC(=O)C1=C(C[*:1])NC(=O)N[C@@H]1c1cccc(c1)[N+](=O)[O-]
CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 CCOC(=O)[*:1] O=C1NC(CN2CCOCC2)=C([C@H](N1)c1cccc(c1)[N+](=O)[O-])[*:1]
CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cccc(c1)[*:1]
CN(C)c1ccccc1NC(=O)CCCNC(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C)c1ccccc1NC(=O)CCCNC(=O)[*:1]
CN(C)c1ccccc1NC(=O)CCCNC(=O)c1ccccc1 CN(C)[*:1] O=C(CCCNC(=O)c1ccccc1)Nc1ccccc1[*:1]
N#Cc1ccsc1NC(=O)Cn1cc(-c2ccccc2)cn1 N#Cc1ccsc1[*:1] O=C(Cn1cc(cn1)-c1ccccc1)N[*:1]
N#Cc1ccsc1NC(=O)Cn1cc(-c2ccccc2)cn1 c1ccc(cc1)[*:1] N#Cc1ccsc1NC(=O)Cn1cc(cn1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] C[C@@H](Cc1cccs1)NC(=O)N1CCN(CC1)C[*:1]
C[C@@H](Cc1cccs1)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 c1csc(c1)C[*:1] C[C@@H](NC(=O)N1CCN(CC1)CC(=O)N1CCCC1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)N1CCN(CC1)CC(=O)N1CCCC1
C[C@@H](Cc1cccs1)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 O=C(C[*:1])N1CCCC1 C[C@@H](Cc1cccs1)NC(=O)N1CCN(CC1)[*:1]
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NCC1(SC)CCOCC1 CSC1(CCOCC1)[*:1] CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NC[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)cc1 CC(C)[*:1] O=C([C@H]1COc2ccccc2C1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C([C@H]1COc2ccccc2C1)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@H](Cc1cccs1)NC(=O)N(C)Cc1ccccc1Cl c1csc(c1)C[*:1] C[C@H](NC(=O)N(C)Cc1ccccc1Cl)[*:1]
C[C@H](Cc1cccs1)NC(=O)N(C)Cc1ccccc1Cl Clc1ccccc1[*:1] C[C@H](Cc1cccs1)NC(=O)N(C)C[*:1]
C[C@H](Cc1cccs1)NC(=O)N(C)Cc1ccccc1Cl c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)N(C)Cc1ccccc1Cl
O=C(COc1ccccc1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1nc2c(Cl)cccc2s1
O=C(COc1ccccc1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)c1nc2c(Cl)cccc2s1
O=C(COc1ccccc1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 c1ccc(cc1)OC[*:1] O=C(N1CCN(CC1)c1nc2c(Cl)cccc2s1)[*:1]
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(-n2ccnc2)ncn1 c1ccc(cc1)[*:1] C[C@H](C[NH+]1CCN(CC1)[*:1])Nc1cc(ncn1)-n1ccnc1
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(-n2ccnc2)ncn1 c1cn(cn1)[*:1] C[C@H](C[NH+]1CCN(CC1)c1ccccc1)Nc1cc(ncn1)[*:1]
CC(C)n1c(CNC(=O)c2cccnc2Nc2ccccc2F)n[nH]c1=S Fc1ccccc1N[*:1] CC(C)n1c(CNC(=O)c2cccnc2[*:1])n[nH]c1=S
CC(C)n1c(CNC(=O)c2cccnc2Nc2ccccc2F)n[nH]c1=S CC(C)n1c(n[nH]c1=S)[*:1] O=C(NC[*:1])c1cccnc1Nc1ccccc1F
CC(C)n1c(CNC(=O)c2cccnc2Nc2ccccc2F)n[nH]c1=S CC(C)[*:1] O=C(NCc1n[nH]c(=S)n1[*:1])c1cccnc1Nc1ccccc1F
CC(C)n1c(CNC(=O)c2cccnc2Nc2ccccc2F)n[nH]c1=S Fc1ccccc1[*:1] CC(C)n1c(CNC(=O)c2cccnc2N[*:1])n[nH]c1=S
O=C(COc1ccc(Cl)cc1)NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1
O=C(COc1ccc(Cl)cc1)NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)NN1C(=O)c2ccccc2N[C@H]1[*:1]
O=C(COc1ccc(Cl)cc1)NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1
O=C(COc1ccc(Cl)cc1)NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1 Clc1ccc(cc1)OC[*:1] O=C1c2ccccc2N[C@H](c2ccccc2)N1NC(=O)[*:1]
CC[C@H](C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] CC[C@H](C)C[NH2+][C@@H](C)c1ccc(cc1)NC(=O)N[*:1]
CC[C@H](C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] CC[C@H](C)C[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CC[C@H](C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 CC[C@H](C)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(cc1)NC(=O)NC1CC1
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@H]1CCN(C(C)C)C1=O CC(C)[*:1] Cc1nc(sc1C(=O)N[C@H]1CCN(C1=O)[*:1])C(C)(C)c1ccccc1
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@H]1CCN(C(C)C)C1=O c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N[C@H]1CCN(C1=O)C(C)C)C(C)(C)[*:1]
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@H]1CCN(C(C)C)C1=O CC(C)(c1ccccc1)[*:1] Cc1nc(sc1C(=O)N[C@H]1CCN(C1=O)C(C)C)[*:1]
COc1ccc(F)cc1NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] COc1ccc(F)cc1NC(=O)C=C1CN(C1)C(=O)O[*:1]
CC(C)c1ccc(OCC(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)cc1 CN(C)C(=O)[*:1] CC(C)c1ccc(cc1)OCC(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)c1ccc(OCC(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)cc1 CC(C)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)COc1ccc(cc1)[*:1]
CCS(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 c1cc2OCOc2cc1[*:1] CCS(=O)(=O)NC[C@H](N1CCN(CC1)c1ccc(F)cc1)[*:1]
CCS(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 CCS(=O)(=O)NC[*:1] Fc1ccc(cc1)N1CCN(CC1)[C@@H](c1ccc2OCOc2c1)[*:1]
CCS(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCS(=O)(=O)NC[C@H](c1ccc2OCOc2c1)N1CCN(CC1)[*:1]
CCS(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 CCS(=O)(=O)N[*:1] Fc1ccc(cc1)N1CCN(CC1)[C@H](C[*:1])c1ccc2OCOc2c1
Cc1cc2ncn(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)c2cc1C NS(=O)(=O)[*:1] Cc1cc2ncn(c2cc1C)S(=O)(=O)c1ccc(cc1)[*:1]
CN(C)C(=O)CC1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 CN(C)C(=O)[*:1] CC(C)(C(=O)N1CCC(CC1)C[*:1])c1ccccc1F
CN(C)C(=O)CC1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 CN(C)C(=O)C[*:1] CC(C)(C(=O)N1CCC(CC1)[*:1])c1ccccc1F
CN(C)C(=O)CC1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 Fc1ccccc1[*:1] CN(C)C(=O)CC1CCN(CC1)C(=O)C(C)(C)[*:1]
O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 Fc1ccc(c(F)c1)[*:1] O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1c1nc(no1)[*:1]
O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])N1CCC[C@@H]1c1nc(no1)-c1ccc(F)cc1F
O=C(NCc1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])N1CCC[C@@H]1c1nc(no1)-c1ccc(F)cc1F
CCc1csc(NC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)n1 C[C@H](C(F)(F)F)[*:1] CCc1csc(n1)NC(=O)N1CCN(CC1)[*:1]
CCc1csc(NC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)n1 FC(F)(F)[*:1] CCc1csc(n1)NC(=O)N1CCN(CC1)[C@H](C)[*:1]
CCc1csc(NC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)n1 CCc1csc(n1)[*:1] C[C@@H](N1CCN(CC1)C(=O)N[*:1])C(F)(F)F
CCn1c(CC2CC[NH+](Cc3nc4ccccc4nc3C)CC2)n[nH]c1=O CCn1c(n[nH]c1=O)[*:1] Cc1nc2ccccc2nc1C[NH+]1CCC(CC1)C[*:1]
CCn1c(CC2CC[NH+](Cc3nc4ccccc4nc3C)CC2)n[nH]c1=O CCn1c(C[*:1])n[nH]c1=O Cc1nc2ccccc2nc1C[NH+]1CCC(CC1)[*:1]
COC[C@H](C)NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 C1CN(CCO1)C[*:1] COC[C@H](C)NC(=O)Nc1ccc2c(ccn2C[*:1])c1
COC[C@H](C)NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 C1CN(CCO1)CC[*:1] COC[C@H](C)NC(=O)Nc1ccc2c(ccn2[*:1])c1
COC[C@H](C)NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 COC[*:1] C[C@H](NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1)[*:1]
COC[C@H](C)NC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 C1CN(CCO1)[*:1] COC[C@H](C)NC(=O)Nc1ccc2c(ccn2CC[*:1])c1
CC(C)(C)OC(=O)N1CC[C@H](C[S@@](=O)c2ccccc2Br)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C1)C[S@@](=O)c1ccccc1Br
CC(C)(C)OC(=O)N1CC[C@H](C[S@@](=O)c2ccccc2Br)C1 Brc1ccccc1[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)C[S@@](=O)[*:1]
CC(C)[C@@H](O)c1ccn(C[C@@H](C)O)c1 C[C@@H](O)[*:1] CC(C)[C@@H](O)c1ccn(c1)C[*:1]
CC(C)[C@@H](O)c1ccn(C[C@@H](C)O)c1 CC(C)[*:1] C[C@@H](O)Cn1ccc(c1)[C@H](O)[*:1]
CC(C)[C@@H](O)c1ccn(C[C@@H](C)O)c1 C[C@@H](O)C[*:1] CC(C)[C@@H](O)c1ccn(c1)[*:1]
CCOC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(OC)cc3)c2c1 COc1ccc(cc1)[*:1] CCOC(=O)c1ccc2nc(C)cc(NC(=O)[*:1])c2c1
CCOC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(OC)cc3)c2c1 CCOC(=O)[*:1] COc1ccc(cc1)C(=O)Nc1cc(C)nc2ccc(cc12)[*:1]
C=CCOc1c(Br)cc(Br)cc1C#N C=CC[*:1] N#Cc1cc(Br)cc(Br)c1O[*:1]
C=CCOc1c(Br)cc(Br)cc1C#N C=CCO[*:1] N#Cc1cc(Br)cc(Br)c1[*:1]
CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCOCCO)CO1 OCCOC[*:1] CC1(C)Cc2c(CO1)c(=S)nc(-c1ccccc1)n2C[*:1]
CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCOCCO)CO1 OCCOCC[*:1] CC1(C)Cc2c(CO1)c(=S)nc(-c1ccccc1)n2[*:1]
CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCOCCO)CO1 OCCO[*:1] CC1(C)Cc2c(CO1)c(=S)nc(-c1ccccc1)n2CC[*:1]
CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCOCCO)CO1 OCC[*:1] CC1(C)Cc2c(CO1)c(=S)nc(-c1ccccc1)n2CCO[*:1]
CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCOCCO)CO1 c1ccc(cc1)[*:1] CC1(C)Cc2c(CO1)c(=S)nc(n2CCOCCO)[*:1]
COC(=O)c1ccc(C(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)cc1 COC(=O)[*:1] C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)cc1 NC(=O)[*:1] COC(=O)c1ccc(cc1)C(=O)N1c2ccccc2[C@@H](C[C@@H]1C)[*:1]
O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C1CC1 c1coc(c1)C[*:1] O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(C1)[*:1])C1CC1
O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C1CC1 c1coc(c1)[*:1] O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(C1)C[*:1])C1CC1
O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C1CC1 C1CC1[*:1] O=C(NNC(=S)NC(=O)[*:1])[C@H]1CC(=O)N(Cc2ccco2)C1
C[C@@H]1C[C@H]1NC(=O)NCCCc1cnn(C)c1 C[C@@H]1C[C@@H]1[*:1] Cn1cc(cn1)CCCNC(=O)N[*:1]
Cc1cc(C(=O)[O-])nc(N2CCN(c3ccccc3Cl)CC2)n1 Clc1ccccc1[*:1] Cc1cc(nc(n1)N1CCN(CC1)[*:1])C(=O)[O-]
Cc1cc(C(=O)[O-])nc(N2CCN(c3ccccc3Cl)CC2)n1 O=C([O-])[*:1] Cc1cc(nc(n1)N1CCN(CC1)c1ccccc1Cl)[*:1]
O=C(NCCc1c(F)cccc1F)N1CCN(C(=O)c2ccco2)CC1 Fc1cccc(F)c1[*:1] O=C(NCC[*:1])N1CCN(CC1)C(=O)c1ccco1
O=C(NCCc1c(F)cccc1F)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(NCCc1c(F)cccc1F)N1CCN(CC1)C(=O)[*:1]
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1[*:1]
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl CCOC(=O)[*:1] COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(Cl)c1Cl)[*:1]
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl COC(=O)[*:1] CCOC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(Cl)c1Cl)[*:1]
CN1CCN(C(=O)c2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)CC1 Clc1ccc(cc1Cl)[*:1] CN1CCN(CC1)C(=O)c1ccc(=O)n(c1)C[*:1]
O=C(Nc1cccc(Br)c1)C1CCN(c2nc3ccccc3s2)CC1 Brc1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)c1nc2ccccc2s1
N#CCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 N#CC[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(CC1)C(=O)c1ccccc1F
N#CCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 N#CCc1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1ccccc1F
N#CCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] N#CCc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)NC(=O)Nc2nc3c(s2)CCCC3)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc2CCCCc2s1)NS(=O)(=O)[*:1]
[NH3+][C@@H](Cc1ccccc1Br)[C@H]1CCOC2(CCCCC2)C1 Brc1ccccc1[*:1] [NH3+][C@@H](C[*:1])[C@H]1CCOC2(CCCCC2)C1
CN(Cc1ccccc1F)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)N[C@H]1CCC[C@@H](C1)C(F)(F)F
CN(Cc1ccccc1F)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CN(Cc1ccccc1F)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
Cc1cc(NC(=O)C(=O)NCCCSc2ccccc2)n(C)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)NCCCS[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)NCCCSc2ccccc2)n(C)n1 c1ccc(cc1)S[*:1] Cc1cc(NC(=O)C(=O)NCCC[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)NCCCSc2ccccc2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(NCCCSc1ccccc1)C(=O)N[*:1]
COCCOc1ncccc1C(=O)Nc1nc2c(cc1C#N)CCC2 COCC[*:1] N#Cc1cc2CCCc2nc1NC(=O)c1cccnc1O[*:1]
COCCOc1ncccc1C(=O)Nc1nc2c(cc1C#N)CCC2 COCCO[*:1] N#Cc1cc2CCCc2nc1NC(=O)c1cccnc1[*:1]
COCCOc1ncccc1C(=O)Nc1nc2c(cc1C#N)CCC2 COC[*:1] N#Cc1cc2CCCc2nc1NC(=O)c1cccnc1OC[*:1]
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1 NC(=O)C[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)C(=O)N1CCC[C@H](C1)C[*:1]
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1 NC(=O)CC[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1 NC(=O)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)C(=O)N1CCC[C@@H](CC[*:1])C1
Cc1cc(C)c(NC(=O)C2(c3cc(-c4cccs4)on3)CC2)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(NC(=O)C2(CC2)c2cc(on2)[*:1])c(C)c1
Cc1ccc(S(=O)(=O)C(=CNc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)C(=CNc1ccc(Cl)cc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)C(=CNc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 Clc1ccc(cc1)N[*:1] Cc1ccc(cc1)S(=O)(=O)C(=C[*:1])S(=O)(=O)c1ccc(C)cc1
Cc1ccc(S(=O)(=O)C(=CNc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)C(=CN[*:1])S(=O)(=O)c1ccc(C)cc1
Cc1ccc(S(=O)(=O)C(=CNc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)C(=CNc1ccc(Cl)cc1)[*:1]
CC(C)COC1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 c1ccc(cc1)C[*:1] CC(C)COC1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CC(C)COC1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 c1ccc(cc1)CC[*:1] CC(C)COC1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)COC1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CC(C)COC1CCN(CC1)C(=O)[C@H]1CC(=O)N(CC[*:1])C1
CC(C)COC1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 CC(C)C[*:1] O=C1C[C@@H](CN1CCc1ccccc1)C(=O)N1CCC(CC1)O[*:1]
CC(C)COC1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 CC(C)CO[*:1] O=C1C[C@@H](CN1CCc1ccccc1)C(=O)N1CCC(CC1)[*:1]
CC(C)COC1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 CC(C)[*:1] O=C1C[C@@H](CN1CCc1ccccc1)C(=O)N1CCC(CC1)OC[*:1]
COC(=O)[C@]1(NC(C)C)CC[C@@H](Sc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] COC(=O)[C@@]1(CC[C@H](C1)S[*:1])NC(C)C
COC(=O)[C@]1(NC(C)C)CC[C@@H](Sc2cccc(Cl)c2)C1 CC(C)[*:1] COC(=O)[C@@]1(CC[C@H](C1)Sc1cccc(Cl)c1)N[*:1]
COC(=O)[C@]1(NC(C)C)CC[C@@H](Sc2cccc(Cl)c2)C1 COC(=O)[*:1] CC(C)N[C@@]1(CC[C@H](C1)Sc1cccc(Cl)c1)[*:1]
COC(=O)[C@]1(NC(C)C)CC[C@@H](Sc2cccc(Cl)c2)C1 CC(C)N[*:1] COC(=O)[C@@]1(CC[C@H](C1)Sc1cccc(Cl)c1)[*:1]
CC(C)n1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nc2ccccc2c1=O CC(C)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])Nc1nc(cs1)-c1ccc(F)cc1
CC(C)n1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nc2ccccc2c1=O Fc1ccc(cc1)[*:1] CC(C)n1c(nc2ccccc2c1=O)SCC(=O)Nc1nc(cs1)[*:1]
COc1ccc2c(c1)C[C@H]([NH2+]CCOc1cccc(NC(C)=O)c1)CC2 CC(=O)N[*:1] COc1ccc2CC[C@H](Cc2c1)[NH2+]CCOc1cccc(c1)[*:1]
O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)[C@H]1CCCN1C(=O)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)CS(=O)(=O)C1CCCCC1)[C@H]1CCCN1C(=O)[*:1]
O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)[C@H]1CCCN1C(=O)C1CCCC1 O=S(=O)(C[*:1])C1CCCCC1 O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN1C(=O)C1CCCC1
O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)[C@H]1CCCN1C(=O)C1CCCC1 C1CCC(CC1)[*:1] O=C(Nc1cccc(c1)CS(=O)(=O)[*:1])[C@H]1CCCN1C(=O)C1CCCC1
O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)[C@H]1CCCN1C(=O)C1CCCC1 O=S(=O)(C1CCCCC1)[*:1] O=C(Nc1cccc(c1)C[*:1])[C@H]1CCCN1C(=O)C1CCCC1
O=C(c1ccc(Cl)cc1)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F Clc1ccc(cc1)[*:1] O=C(N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F)[*:1]
O=C(c1ccc(Cl)cc1)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] O=C(c1ccc(Cl)cc1)N1N=C2CCCCC[C@@H]2[C@]1(O)[*:1]
C[C@H](NC(=O)[C@@H](C)N1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)N1CCO[C@H](C1)[*:1])c1ccc(F)cc1
C[C@H](NC(=O)[C@@H](C)N1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)N1CCO[C@@H](C1)c1ccccc1)[*:1]
COc1cc(OC)cc(C(=O)NC2CC[NH+](C3CC3)CC2)c1 C1CC1[*:1] COc1cc(cc(c1)C(=O)NC1CC[NH+](CC1)[*:1])OC
Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)N1CCO[C@H]2CCCC[C@H]21 CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)OCC(=O)N1CCO[C@H]2CCCC[C@H]21)[*:1]
Cc1cc(C)n(CC(=O)OCC(=O)c2ccc3c(c2)CCC3)n1 Cc1cc(C)n(n1)[*:1] O=C(C[*:1])OCC(=O)c1ccc2CCCc2c1
Cc1ccc(-c2cc(C(=O)NNC(=O)CC(C)C)c3ccccc3n2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1cc(C(=O)NNC(=O)C[*:1])c2ccccc2n1
Cc1ccc(-c2cc(C(=O)NNC(=O)CC(C)C)c3ccccc3n2)cc1 Cc1ccc(cc1)[*:1] CC(C)CC(=O)NNC(=O)c1cc(nc2ccccc12)[*:1]
Cc1ccc(-c2cc(C(=O)NNC(=O)CC(C)C)c3ccccc3n2)cc1 CC(C)C[*:1] Cc1ccc(cc1)-c1cc(C(=O)NNC(=O)[*:1])c2ccccc2n1
CN(c1ccccc1F)c1cc2c(cc1Cl)C(=O)C(=O)N2 Fc1ccccc1[*:1] CN(c1cc2NC(=O)C(=O)c2cc1Cl)[*:1]
Cc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)s1 N#Cc1ccccc1[*:1] Cc1ccc(s1)-c1csc(n1)NC(=O)c1ccc(CO[*:1])o1
Cc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)s1 N#Cc1ccccc1O[*:1] Cc1ccc(s1)-c1csc(n1)NC(=O)c1ccc(C[*:1])o1
Cc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4C#N)o3)n2)s1 Cc1ccc(s1)[*:1] N#Cc1ccccc1OCc1ccc(o1)C(=O)Nc1nc(cs1)[*:1]
COC(=O)Cn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(S(N)(=O)=O)ccc21 COC(=O)[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(Br)s1)n2C[*:1]
COC(=O)Cn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(S(N)(=O)=O)ccc21 COC(=O)C[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(Br)s1)n2[*:1]
COC(=O)Cn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(S(N)(=O)=O)ccc21 Brc1ccc(s1)[*:1] COC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(N)(=O)=O
COC(=O)Cn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] COC(=O)Cn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(ccc21)[*:1]
Cc1ccc(/C=C/C(=O)O[C@@H]2CC[C@H](S(C)(=O)=O)C2)o1 CS(=O)(=O)[*:1] Cc1ccc(/C=C/C(=O)O[C@@H]2CC[C@H](C2)[*:1])o1
Cc1ccc(/C=C/C(=O)O[C@@H]2CC[C@H](S(C)(=O)=O)C2)o1 Cc1ccc(o1)[*:1] CS(=O)(=O)[C@H]1CC[C@H](C1)OC(=O)C=C[*:1]
Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 C1CC1[*:1] Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)N[*:1]
Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1[*:1]
Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 Cc1cccc(C)c1[*:1] O=C(CSc1nnnn1[*:1])Nc1ccccc1C(=O)NC1CC1
COC(=O)CCN(Cc1ccncc1)C(=O)c1ccc(=O)n(C)c1 c1cc(ccn1)C[*:1] COC(=O)CCN(C(=O)c1ccc(=O)n(C)c1)[*:1]
COC(=O)CCN(Cc1ccncc1)C(=O)c1ccc(=O)n(C)c1 Cn1cc(ccc1=O)[*:1] COC(=O)CCN(Cc1ccncc1)C(=O)[*:1]
COC(=O)CCN(Cc1ccncc1)C(=O)c1ccc(=O)n(C)c1 c1cc(ccn1)[*:1] COC(=O)CCN(C[*:1])C(=O)c1ccc(=O)n(C)c1
COC(=O)CCN(Cc1ccncc1)C(=O)c1ccc(=O)n(C)c1 COC(=O)CC[*:1] Cn1cc(ccc1=O)C(=O)N(Cc1ccncc1)[*:1]
COC(=O)CCN(Cc1ccncc1)C(=O)c1ccc(=O)n(C)c1 COC(=O)[*:1] Cn1cc(ccc1=O)C(=O)N(CC[*:1])Cc1ccncc1
COC(=O)CCN(Cc1ccncc1)C(=O)c1ccc(=O)n(C)c1 COC(=O)C[*:1] Cn1cc(ccc1=O)C(=O)N(Cc1ccncc1)C[*:1]
Cn1nccc1NC(=O)c1c[nH]c2nccc(Cl)c12 Cn1nccc1[*:1] O=C(N[*:1])c1c[nH]c2nccc(Cl)c12
O=C(N/N=C\C=C\c1ccco1)c1ccc(I)cc1 c1coc(c1)[*:1] O=C(N/N=C\C=C[*:1])c1ccc(I)cc1
CC(C)(C)[NH2+]Cc1ccn(Cc2cc(F)cc(Br)c2)n1 CC(C)(C)[*:1] Fc1cc(Br)cc(c1)Cn1ccc(C[NH2+][*:1])n1
COc1c(C(=O)[O-])cccc1-c1ccc2ccccc2c1 O=C([O-])[*:1] COc1c(cccc1[*:1])-c1ccc2ccccc2c1
Fc1ccc(N2CCN(c3cc(CNCc4cccnc4)cc[nH+]3)CC2)cc1 c1cncc(c1)CN[*:1] Fc1ccc(cc1)N1CCN(CC1)c1cc(cc[nH+]1)C[*:1]
Fc1ccc(N2CCN(c3cc(CNCc4cccnc4)cc[nH+]3)CC2)cc1 c1cncc(c1)CNC[*:1] Fc1ccc(cc1)N1CCN(CC1)c1cc(cc[nH+]1)[*:1]
Fc1ccc(N2CCN(c3cc(CNCc4cccnc4)cc[nH+]3)CC2)cc1 c1cncc(c1)C[*:1] Fc1ccc(cc1)N1CCN(CC1)c1cc(cc[nH+]1)CN[*:1]
Fc1ccc(N2CCN(c3cc(CNCc4cccnc4)cc[nH+]3)CC2)cc1 c1cncc(c1)[*:1] Fc1ccc(cc1)N1CCN(CC1)c1cc(cc[nH+]1)CNC[*:1]
Fc1ccc(N2CCN(c3cc(CNCc4cccnc4)cc[nH+]3)CC2)cc1 Fc1ccc(cc1)[*:1] c1cncc(c1)CNCc1cc[nH+]c(c1)N1CCN(CC1)[*:1]
COC[C@@H](O)CN1CCO[C@H](c2nc(C)n[nH]2)C1 COC[C@@H](O)[*:1] Cc1n[nH]c(n1)[C@@H]1CN(CCO1)C[*:1]
COC[C@@H](O)CN1CCO[C@H](c2nc(C)n[nH]2)C1 COC[C@@H](O)C[*:1] Cc1n[nH]c(n1)[C@@H]1CN(CCO1)[*:1]
COC[C@@H](O)CN1CCO[C@H](c2nc(C)n[nH]2)C1 Cc1n[nH]c(n1)[*:1] COC[C@@H](O)CN1CCO[C@H](C1)[*:1]
COC[C@@H](O)CN1CCO[C@H](c2nc(C)n[nH]2)C1 COC[*:1] Cc1n[nH]c(n1)[C@@H]1CN(CCO1)C[C@H](O)[*:1]
CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1 CC(C)(C)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc2ccccc12)[*:1]
CCOC(=O)[C@@]1(C/C=C(/C)Cl)CCCC1=O CCOC(=O)[*:1] C/C(Cl)=C/C[C@]1(CCCC1=O)[*:1]
CCOC(=O)[C@@]1(C/C=C(/C)Cl)CCCC1=O C/C(Cl)=C/C[*:1] CCOC(=O)[C@]1(CCCC1=O)[*:1]
CCOC(=O)[C@@]1(C/C=C(/C)Cl)CCCC1=O CC(Cl)=C[*:1] CCOC(=O)[C@]1(CCCC1=O)C[*:1]
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)Nc2cccnc2)O1 c1cncc(c1)[*:1] CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[*:1])O1
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)Nc2cccnc2)O1 CN(C)C(=O)[*:1] O=C(NC[C@H]1CC[C@H](O1)[*:1])Nc1cccnc1
Cc1ccnc(-n2c(C)nc3c(C(=O)[O-])cccc32)c1 O=C([O-])[*:1] Cc1ccnc(c1)-n1c(C)nc2c(cccc21)[*:1]
COc1ccc(C(=O)C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 Clc1c[nH]c(c1)[*:1] COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1cc(Cl)c[nH]1)N1CCC(CC1)C(=O)[*:1]
CC[C@@H](C(=O)Nc1ccc(Br)cc1)n1c(N)nnc1SC Brc1ccc(cc1)[*:1] CC[C@@H](C(=O)N[*:1])n1c(N)nnc1SC
C[NH+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]1[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1ccccc1)C(C)C O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@H](c1ccccc1)C(C)C)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1ccccc1)C(C)C c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@H](C(C)C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1ccccc1)C(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@H](c1ccccc1)[*:1])[N+](=O)[O-]
CCn1c(-c2ccccc2C)nnc1S(=O)(=O)Cc1noc(C)n1 Cc1ccccc1[*:1] CCn1c(nnc1[*:1])S(=O)(=O)Cc1noc(C)n1
CCn1c(-c2ccccc2C)nnc1S(=O)(=O)Cc1noc(C)n1 Cc1nc(C[*:1])no1 CCn1c(nnc1S(=O)(=O)[*:1])-c1ccccc1C
CCn1c(-c2ccccc2C)nnc1S(=O)(=O)Cc1noc(C)n1 Cc1nc(no1)[*:1] CCn1c(nnc1S(=O)(=O)C[*:1])-c1ccccc1C
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccc(Br)cc3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CCC(=O)N1CCN(CC1)S(=O)(=O)[*:1])c1ccc(Br)cc1
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccc(Br)cc3)CC2)c1 O=C(c1ccc(Br)cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)CC[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccc(Br)cc3)CC2)c1 Brc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccc(Br)cc3)CC2)c1 O=C(C[*:1])c1ccc(Br)cc1 Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)NNC(=O)[C@H](C)O[*:1]
Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 Cc1ccccc1O[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)NNC(=O)[C@H](C)[*:1]
Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 Cc1ccccc1C(=O)N[*:1] Cc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1]
COc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
CCN(Cc1ccccc1)C(=O)[C@H](C)[S@@](=O)c1nncn1C(C)C CC(C)[*:1] CCN(Cc1ccccc1)C(=O)[C@H](C)[S@@](=O)c1nncn1[*:1]
CCN(Cc1ccccc1)C(=O)[C@H](C)[S@@](=O)c1nncn1C(C)C c1ccc(cc1)C[*:1] CCN(C(=O)[C@H](C)[S@@](=O)c1nncn1C(C)C)[*:1]
CCN(Cc1ccccc1)C(=O)[C@H](C)[S@@](=O)c1nncn1C(C)C c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)[C@H](C)[S@@](=O)c1nncn1C(C)C
COC(=O)c1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
COC(=O)c1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCOc1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccc(C)cc3)c2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(=O)[nH]cc(C(=O)N[*:1])c1=O
CCOc1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccc(C)cc3)c2=O)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)c1c[nH]c(=O)n(c1=O)[*:1]
CCOc1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccc(C)cc3)c2=O)cc1 CCO[*:1] Cc1ccc(cc1)-n1c(=O)[nH]cc(C(=O)Nc2ccc(cc2)[*:1])c1=O
O=c1sc2ccccc2n1Cc1coc(-c2ccc(F)c(F)c2)n1 Fc1ccc(cc1F)[*:1] O=c1sc2ccccc2n1Cc1coc(n1)[*:1]
COc1cc(NC(=O)Nc2nn(-c3ccccc3Cl)cc2C)cc(OC)c1 Clc1ccccc1[*:1] COc1cc(cc(c1)OC)NC(=O)Nc1nn(cc1C)[*:1]
CCOc1ccccc1OC(=O)c1ccc(Cn2nc(C)cc2C)cc1 CCO[*:1] Cc1cc(C)n(Cc2ccc(cc2)C(=O)Oc2ccccc2[*:1])n1
CCOc1ccccc1OC(=O)c1ccc(Cn2nc(C)cc2C)cc1 Cc1cc(C)n(C[*:1])n1 CCOc1ccccc1OC(=O)c1ccc(cc1)[*:1]
CCOc1ccccc1OC(=O)c1ccc(Cn2nc(C)cc2C)cc1 Cc1cc(C)n(n1)[*:1] CCOc1ccccc1OC(=O)c1ccc(cc1)C[*:1]
O=c1[nH]c([O-])ncc1-n1ccnc1[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] O=c1[nH]c([O-])ncc1-n1ccnc1[*:1]
C=C(C)CSc1nc(C(C)(C)C)n[nH]1 C=C(C)C[*:1] CC(C)(C)c1n[nH]c(n1)S[*:1]
C=C(C)CSc1nc(C(C)(C)C)n[nH]1 CC(C)(C)[*:1] C=C(C)CSc1nc(n[nH]1)[*:1]
C=C(C)CSc1nc(C(C)(C)C)n[nH]1 C=C(C)[*:1] CC(C)(C)c1n[nH]c(n1)SC[*:1]
COc1ccc(C(C)(C)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)C(C)(C)[*:1]
COc1ccc(C(C)(C)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)C(C)(C)C(=O)Nc1ccc(C)c(c1)[*:1]
CC1=CC(C)(C)N2C(=O)/C(=N\c3ccccc3)c3c(C)ccc1c32 c1ccc(cc1)[*:1] CC1=CC(C)(C)N2C(=O)C(=N[*:1])c3c(C)ccc1c32
Cn1cnnc1CS(=O)(=O)CCCC1CCCC1 C1CCC(C1)[*:1] Cn1cnnc1CS(=O)(=O)CCC[*:1]
Cn1cnnc1CS(=O)(=O)CCCC1CCCC1 Cn1cnnc1[*:1] O=S(=O)(CCCC1CCCC1)C[*:1]
Cn1cnnc1CS(=O)(=O)CCCC1CCCC1 C1CCC(C1)C[*:1] Cn1cnnc1CS(=O)(=O)CC[*:1]
CC[C@H](NC(=O)NC[C@](C)(O)c1ccc(C)o1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)NC[C@](C)(O)c1ccc(C)o1)[*:1]
CC[C@H](NC(=O)NC[C@](C)(O)c1ccc(C)o1)c1c(C)nn(C)c1C Cc1ccc(o1)[*:1] CC[C@H](NC(=O)NC[C@](C)(O)[*:1])c1c(C)nn(C)c1C
Cc1ccc(CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)s1 Cc1ccc(s1)[*:1] O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC[*:1]
Cc1ccc(CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)s1 Cc1ccc(C[*:1])s1 O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N[*:1]
CCCN(C)C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CCCN(C)C(=O)NC[C@H](C)c1nc(no1)[*:1]
CCCN(C)C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 CCC[*:1] C[C@@H](CNC(=O)N(C)[*:1])c1nc(no1)-c1ccccc1
Cn1cc([C@H]2NC(=O)c3cccnc3N2)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(c(n1)[*:1])[C@H]1NC(=O)c2cccnc2N1
NC(=O)C1(C(=O)N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)CC1 Fc1ccccc1[*:1] NC(=O)C1(CC1)C(=O)N1CC[C@H]([C@H](O)C1)N1CCN(CC1)[*:1]
NC(=O)C1(C(=O)N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)CC1 NC(=O)C1(CC1)[*:1] O=C(N1CC[C@H]([C@H](O)C1)N1CCN(CC1)c1ccccc1F)[*:1]
NC(=O)C1(C(=O)N2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)CC1 NC(=O)[*:1] O=C(N1CC[C@H]([C@H](O)C1)N1CCN(CC1)c1ccccc1F)C1(CC1)[*:1]
CC1=C[C@H]([C@@H]2NN[C@H](SCC(=O)Nc3ccc(F)c(F)c3)N2N)N=N1 Fc1ccc(cc1F)[*:1] CC1=C[C@@H](N=N1)[C@@H]1NN[C@H](SCC(=O)N[*:1])N1N
C[C@]1(C(=O)c2ccccc2N)[C@@H](C(=O)N2CCOCC2)[C@H]1C(=O)[O-] O=C(N1CCOCC1)[*:1] C[C@]1(C(=O)c2ccccc2N)[C@@H]([C@H]1C(=O)[O-])[*:1]
C[C@]1(C(=O)c2ccccc2N)[C@@H](C(=O)N2CCOCC2)[C@H]1C(=O)[O-] O=C([O-])[*:1] C[C@]1(C(=O)c2ccccc2N)[C@@H](C(=O)N2CCOCC2)[C@@H]1[*:1]
C[C@]1(C(=O)c2ccccc2N)[C@@H](C(=O)N2CCOCC2)[C@H]1C(=O)[O-] Nc1ccccc1[*:1] C[C@]1(C(=O)[*:1])[C@@H](C(=O)N2CCOCC2)[C@H]1C(=O)[O-]
Cc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C Cc1ccccc1C[*:1] CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[*:1]
Cc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C N#Cc1ccc(cc1)[*:1] Cc1ccccc1CNC(=O)N(C[*:1])C(C)C
Cc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C CC(C)[*:1] Cc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)[*:1]
Cc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C Cc1ccccc1[*:1] CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[*:1]
O=C(N1CC[C@@H]2OCCC[C@H]2C1)C1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] O=C(N1CC[C@@H]2OCCC[C@H]2C1)C1(CCCC1)[*:1]
Cc1ncccc1OCC[NH2+][C@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ncccc1OCC[NH2+][C@H](C)[*:1]
CC1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] CC1CCN(CC1)C(=O)C(=O)Nc1cccnc1[*:1]
Cc1nnc(N2CCCN(c3ncccc3C#N)CC2)s1 Cc1nnc(s1)[*:1] N#Cc1cccnc1N1CCCN(CC1)[*:1]
Cn1c(=O)c(C(=O)Nc2ccccc2C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] Cn1c(=O)c(nc2ccccc21)C(=O)Nc1ccccc1[*:1]
COc1ccc(S(=O)(=O)N2CCN(c3nc4cccnc4s3)CC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)c1nc2cccnc2s1)[*:1]
Cc1ccc(C)c(OCC(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)OCC(=O)NC[C@@H](O)[*:1]
CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] CCOC(=O)c1cccc(c1)NC(=O)[C@@H](C)O[*:1]
CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 CCOC(=O)[*:1] Cc1ccc(cc1C)O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CN(CCS(C)(=O)=O)C(=O)c1cccnc1N CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)c1cccnc1N
CN(CCS(C)(=O)=O)C(=O)c1cccnc1N CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)c1cccnc1N
CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 O=[N+]([O-])[*:1] CCC(=O)N1CCN(CC1)c1ccccc1NC(=O)c1cccc(c1C)[*:1]
C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O O=[N+]([O-])[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1ccccc1[*:1]
NNOC(=O)CCN1CC(=O)N2CCCC[C@H]2C1=O NNOC(=O)C[*:1] O=C1[C@@H]2CCCCN2C(=O)CN1C[*:1]
NNOC(=O)CCN1CC(=O)N2CCCC[C@H]2C1=O NNOC(=O)[*:1] O=C1[C@@H]2CCCCN2C(=O)CN1CC[*:1]
Cc1csc(NC(=O)CSc2cc(-c3ccccc3)ncn2)n1 Cc1csc(n1)[*:1] O=C(CSc1cc(ncn1)-c1ccccc1)N[*:1]
Cc1csc(NC(=O)CSc2cc(-c3ccccc3)ncn2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)CSc1cc(ncn1)[*:1]
Cc1c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 C1CN(CCO1)[*:1] Cc1c(C)n2c3c(=O)n(CC[*:1])c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1
Cc1c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1[C@H](C)[*:1]
Cc1c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 C1CN(CCO1)C[*:1] Cc1c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1
Cc1c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 C1CN(CCO1)CC[*:1] Cc1c(C)n2c3c(=O)n(c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1)[*:1]
CCOC(=O)c1sc2ncnc(Cl)c2c1C CCOC(=O)[*:1] Cc1c(sc2ncnc(Cl)c12)[*:1]
CCN(Cc1ccccc1C)C(=O)CSc1nncs1 c1nnc(S[*:1])s1 CCN(Cc1ccccc1C)C(=O)C[*:1]
CCN(Cc1ccccc1C)C(=O)CSc1nncs1 c1nnc(s1)[*:1] CCN(Cc1ccccc1C)C(=O)CS[*:1]
COC(=O)[C@H](C)[C@H](C)SCCO COC(=O)[*:1] C[C@H](SCCO)[C@@H](C)[*:1]
COC(=O)[C@H](C)[C@H](C)SCCO OCCS[*:1] COC(=O)[C@H](C)[C@H](C)[*:1]
COC(=O)[C@H](C)[C@H](C)SCCO OCC[*:1] COC(=O)[C@H](C)[C@H](C)S[*:1]
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[*:1]
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](Oc1ccc2ccccc2c1)C(=O)NC[*:1]
COc1cccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3o2)c1 COc1cccc(c1)[*:1] CC(=O)Nc1ccc2nc(NC(=S)NC(=O)[*:1])oc2c1
COc1cccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3o2)c1 CC(=O)N[*:1] COc1cccc(c1)C(=O)NC(=S)Nc1nc2ccc(cc2o1)[*:1]
Cc1cnn(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)c1 FC(F)(F)C[*:1] Cc1cnn(c1)CCC(=O)Nc1ccc(O[*:1])c(C)c1
Cc1cnn(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)c1 FC(F)(F)CO[*:1] Cc1cnn(c1)CCC(=O)Nc1ccc(c(C)c1)[*:1]
Cc1cnn(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)c1 FC(F)(F)[*:1] Cc1cnn(c1)CCC(=O)Nc1ccc(OC[*:1])c(C)c1
Cc1cnn(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)c1 Cc1cnn(c1)[*:1] Cc1cc(ccc1OCC(F)(F)F)NC(=O)CC[*:1]
Cc1cnn(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)c1 Cc1cnn(c1)C[*:1] Cc1cc(ccc1OCC(F)(F)F)NC(=O)C[*:1]
Cc1cnn(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)c1 Cc1cnn(c1)CC[*:1] Cc1cc(ccc1OCC(F)(F)F)NC(=O)[*:1]
COc1cc(NCc2cccn2-c2nnc(N3CCC(C)CC3)s2)cc(OC)c1 CC1CCN(CC1)[*:1] COc1cc(cc(c1)OC)NCc1cccn1-c1nnc(s1)[*:1]
NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 NC(=O)[*:1] O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H](C1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)C[C@H](O)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](O)c2cccc(F)c2)CC1 Cc1noc(C)c1[*:1] O=S(=O)(N1CCN(CC1)C[C@H](O)c1cccc(F)c1)[*:1]
Cc1cc(F)ccc1CCNC(=O)CN1C(=O)CNC1=O O=C1CNC(=O)N1[*:1] Cc1cc(F)ccc1CCNC(=O)C[*:1]
CC(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 CC(C)C(=O)N[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccc(F)cc1)N1CCC[C@H](C1)[*:1]
CC(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC(C)C(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H]1CCC[C@H]1[*:1]
CC(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 CC(C)[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccc(F)cc1)N1CCC[C@H](C1)NC(=O)[*:1]
COC(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2C)cs1 COC(=O)N[*:1] Cc1c(Cl)cccc1NC(=O)Cc1csc(n1)[*:1]
Cc1csc2nc(CSCc3ccccc3Cl)cc(=O)n12 Clc1ccccc1[*:1] Cc1csc2nc(cc(=O)n12)CSC[*:1]
O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)[*:1]
O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)c1cccs1 Brc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1cccs1
O=S(=O)(CCOc1ccccc1)Nc1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] O=S(=O)(CCO[*:1])Nc1nc2ccccc2[nH]1
O=S(=O)(CCOc1ccccc1)Nc1nc2ccccc2[nH]1 c1ccc(cc1)O[*:1] O=S(=O)(CC[*:1])Nc1nc2ccccc2[nH]1
C[C@@H]1Cc2ccccc2N1C(=O)NCCNS(C)(=O)=O CS(=O)(=O)N[*:1] C[C@@H]1Cc2ccccc2N1C(=O)NCC[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)NCCNS(C)(=O)=O CS(=O)(=O)NC[*:1] C[C@@H]1Cc2ccccc2N1C(=O)NC[*:1]
Oc1ccccc1/C=[NH+]/CCCC/[NH+]=C/c1ccccc1O Oc1ccccc1[*:1] Oc1ccccc1/C=[NH+]/CCCC[NH+]=C[*:1]
COc1cc(OC)c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1Cl O=[N+]([O-])[*:1] COc1cc(OC)c(cc1Cl)NC(=O)Cn1nc(C)c(c1C)[*:1]
CC(=O)Nc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 CC(=O)N[*:1] O=C(Cc1coc2cc3CCCc3cc12)Nc1ccc(cc1)[*:1]
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(S[C@H](C)C(=O)N3CCNC3=O)nc2c1 COc1ccccc1[*:1] C[C@@H](Sc1nc2cc(ccc2o1)S(=O)(=O)[N-][*:1])C(=O)N1CCNC1=O
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(S[C@H](C)C(=O)N3CCNC3=O)nc2c1 O=C1NCCN1C(=O)[*:1] COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(nc2c1)S[C@H](C)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)OCC1(C)C O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)CCN1C[C@H](C)OCC1(C)C)[*:1]
COc1cc(NC(=O)c2scnc2C2CC2)ccc1Br C1CC1[*:1] COc1cc(ccc1Br)NC(=O)c1scnc1[*:1]
C[C@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 Fc1cccc(c1)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1c1ncc([nH]1)[*:1]
CCC1(CC)[C@@H](OC(=O)c2cnc([C@@H]3CCCO3)s2)C[C@H]1OC C1CO[C@@H](C1)[*:1] CCC1(CC)[C@H](C[C@H]1OC)OC(=O)c1cnc(s1)[*:1]
COc1ccc(/C=C2\NC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C(CN1C(=O)NC(=C[*:1])C1=O)N1CCCCCC1
Cc1noc(C)c1CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 Cc1noc(C)c1C[*:1] O=C(N1CCN(CC1)Cc1c(F)cccc1Cl)[*:1]
Cc1noc(C)c1CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 Cc1noc(C)c1[*:1] O=C(C[*:1])N1CCN(CC1)Cc1c(F)cccc1Cl
Cc1noc(C)c1CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 Fc1cccc(Cl)c1[*:1] Cc1noc(C)c1CC(=O)N1CCN(CC1)C[*:1]
COC[C@H](C)NC(=O)CN1CCN(Cc2cccc(Cl)c2)CC1 COC[*:1] C[C@H](NC(=O)CN1CCN(CC1)Cc1cccc(Cl)c1)[*:1]
COC[C@H](C)NC(=O)CN1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COC[C@H](C)NC(=O)CN1CCN(CC1)C[*:1]
COC[C@H](C)NC(=O)CN1CCN(Cc2cccc(Cl)c2)CC1 COC[C@H](C)[*:1] O=C(CN1CCN(CC1)Cc1cccc(Cl)c1)N[*:1]
O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1occc1Br Brc1ccoc1[*:1] O=C(Nc1ccc(cc1)CC[NH+]1CCCC1)[*:1]
COc1cc(CNc2nc(C)c(-c3ccn(Cc4ccsc4)n3)s2)ccc1F c1cc(cs1)C[*:1] COc1cc(ccc1F)CNc1nc(C)c(s1)-c1ccn(n1)[*:1]
COc1cc(CNc2nc(C)c(-c3ccn(Cc4ccsc4)n3)s2)ccc1F COc1cc(ccc1F)[*:1] Cc1nc(NC[*:1])sc1-c1ccn(Cc2ccsc2)n1
COc1cc(CNc2nc(C)c(-c3ccn(Cc4ccsc4)n3)s2)ccc1F c1cc(cs1)[*:1] COc1cc(ccc1F)CNc1nc(C)c(s1)-c1ccn(C[*:1])n1
CCOc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])NC(=O)Cc1ccc(cc1)[N+](=O)[O-]
CCOc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC O=[N+]([O-])[*:1] CCOc1cc(ccc1OC)NC(=O)Cc1ccc(cc1)[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC[C@@H](C)NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1F)C1c3ccccc3C2(Cl)c2ccccc21 Fc1ccccc1[*:1] O=C1[C@@H]2[C@H](C(=O)N1[*:1])C1c3ccccc3C2(Cl)c2ccccc21
C[C@H]1CCCN(c2ccc(C(=O)NC3=NCCS3)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1CCCN(C1)c1ccc(cc1[*:1])C(=O)NC1=NCCS1
C[C@H]1CCCN(c2ccc(C(=O)NC3=NCCS3)cc2[N+](=O)[O-])C1 C[C@H]1CCCN(C1)[*:1] O=C(NC1=NCCS1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[NH2+][C@@H]1CCC[C@@H]1CCN1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] C[NH2+][C@@H]1CCC[C@@H]1CCN1CC[NH+](CC1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 C[C@@H](Oc1ccccc1)[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@@H](Oc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
C[C@@H](Oc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1C[*:1]
C[C@@H](Oc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1
CNC(=O)c1ccc(-c2ccc(CNC(=O)c3c(C(C)C)noc3C)cc2)nc1C CNC(=O)[*:1] Cc1nc(ccc1[*:1])-c1ccc(cc1)CNC(=O)c1c(noc1C)C(C)C
CNC(=O)c1ccc(-c2ccc(CNC(=O)c3c(C(C)C)noc3C)cc2)nc1C CC(C)[*:1] CNC(=O)c1ccc(nc1C)-c1ccc(cc1)CNC(=O)c1c(noc1C)[*:1]
CNC(=O)c1ccc(-c2ccc(CNC(=O)c3c(C(C)C)noc3C)cc2)nc1C Cc1onc(c1[*:1])C(C)C CNC(=O)c1ccc(nc1C)-c1ccc(cc1)CNC(=O)[*:1]
O=S(=O)(Oc1ccccc1)c1cccc2cccnc12 c1ccc(cc1)[*:1] O=S(=O)(O[*:1])c1cccc2cccnc12
Cc1ccccc1C(=O)NNC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccccc1C(=O)NNC(=O)C[*:1]
Cc1ccccc1C(=O)NNC(=O)Cc1ccc(F)cc1 Cc1ccccc1[*:1] O=C(Cc1ccc(F)cc1)NNC(=O)[*:1]
O=C(N[C@@H](CO)c1ccccc1F)[C@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(N[C@@H](CO)[*:1])[C@H]1C[C@@H]1c1ccccc1F
O=C(N[C@@H](CO)c1ccccc1F)[C@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(N[C@@H](CO)c1ccccc1F)[C@H]1C[C@H]1[*:1]
CCCC[C@@H]([NH2+]C)c1c(F)cccc1F CCC[*:1] C[NH2+][C@H](C[*:1])c1c(F)cccc1F
CCCC[C@@H]([NH2+]C)c1c(F)cccc1F CCCC[*:1] C[NH2+][C@@H](c1c(F)cccc1F)[*:1]
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccc[nH]1 CC(C)[*:1] C[C@H](NC(=O)[C@H]1CSCN1C(=O)Cc1ccc[nH]1)[*:1]
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C[*:1]
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccc[nH]1 CC(C)[C@H](C)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)Cc1ccc[nH]1
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[*:1]
CC(C)[C@@H]([NH3+])c1n[nH]c(-c2cccc(O)c2)n1 CC(C)[*:1] [NH3+][C@@H](c1n[nH]c(n1)-c1cccc(O)c1)[*:1]
CCOc1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1C CCO[*:1] Cc1ccc(nc1)NC(=O)[C@@H]1CCCN(C1)C(=O)Nc1ccc(c(C)c1)[*:1]
CCOc1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1C Cc1ccc(nc1)[*:1] CCOc1ccc(cc1C)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)NC[C@H](O)c1ccccc1F c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])NC[C@H](O)c1ccccc1F
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)NC[C@H](O)c1ccccc1F O[C@H](c1ccccc1F)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)NC[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)NC[C@H](O)c1ccccc1F Fc1ccccc1[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)NC[C@H](O)[*:1]
CON(C)CC(=O)NC(=O)Nc1ccc(C)cc1 CON(C)[*:1] Cc1ccc(cc1)NC(=O)NC(=O)C[*:1]
CON(C)CC(=O)NC(=O)Nc1ccc(C)cc1 CON(C)C[*:1] Cc1ccc(cc1)NC(=O)NC(=O)[*:1]
CCn1cc(C(=O)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)cn1 CCn1cc(cn1)[*:1] O=C(Nc1ccc(cc1)[S@](=O)C(F)(F)F)C(=O)[*:1]
CCn1cc(C(=O)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)cn1 FC(F)(F)[*:1] CCn1cc(cn1)C(=O)C(=O)Nc1ccc(cc1)[S@](=O)[*:1]
O=C(N[C@H]1CCCc2occc21)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] O=C(N[C@H]1CCCc2occc21)c1ccc([nH]c1=O)[*:1]
COc1ccccc1Cn1c([C@@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 COc1ccccc1[*:1] O=C1C[C@H](CN1CCc1ccccc1)c1nc2ccccc2n1C[*:1]
COc1ccccc1Cn1c([C@@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 COc1ccccc1C[*:1] O=C1C[C@H](CN1CCc1ccccc1)c1nc2ccccc2n1[*:1]
COc1ccccc1Cn1c([C@@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)CC[*:1] COc1ccccc1Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccccc1Cn1c([C@@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)[*:1] COc1ccccc1Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(CC[*:1])C1
COc1ccccc1Cn1c([C@@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)C[*:1] COc1ccccc1Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)C[*:1]
CCc1onc(C)c1NC(=O)c1cc(N2CCNC2=O)c(F)cc1F O=C1NCCN1[*:1] CCc1onc(C)c1NC(=O)c1cc(c(F)cc1F)[*:1]
CCc1onc(C)c1NC(=O)c1cc(N2CCNC2=O)c(F)cc1F CCc1onc(C)c1[*:1] O=C(N[*:1])c1cc(c(F)cc1F)N1CCNC1=O
CCOc1ccc(C(=O)N2CCNC(=O)C2)cc1 CCO[*:1] O=C1CN(CCN1)C(=O)c1ccc(cc1)[*:1]
O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(C[C@H]1SC(=NC1=O)N1CCCCC1)N[*:1]
COc1ccc(CNC(=O)c2cnc3sc(N4CCCC4)nn3c2=O)c(OC)c1 C1CCN(C1)[*:1] COc1ccc(CNC(=O)c2cnc3sc(nn3c2=O)[*:1])c(c1)OC
N#Cc1csc(C(=O)Nc2ccc(N3CCNC3=O)cc2)c1 O=C1NCCN1[*:1] N#Cc1csc(c1)C(=O)Nc1ccc(cc1)[*:1]
N#Cc1csc(C(=O)Nc2ccc(N3CCNC3=O)cc2)c1 N#Cc1csc(c1)[*:1] O=C1NCCN1c1ccc(cc1)NC(=O)[*:1]
O=C(CNc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCCCC1 FC(F)(F)[*:1] O=C(CNc1cc(ccc1-n1cccn1)[*:1])N1CCCCC1
O=C(CNc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCCCC1 c1cnn(c1)[*:1] O=C(CNc1cc(ccc1[*:1])C(F)(F)F)N1CCCCC1
O=C(CNc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCCCC1 O=C(N1CCCCC1)[*:1] FC(F)(F)c1ccc(c(c1)NC[*:1])-n1cccn1
COc1ccc(CNC(=O)CCSc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)CCS[*:1]
C[NH+](C)C1(CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCCCC1 C1CC1[*:1] C[NH+](C)C1(CCCCC1)CNC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(-c2cc(OCC(=O)[O-])nc(NCc3ccc4c(c3)OCO4)n2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1cc(nc(n1)NCc1ccc2OCOc2c1)OC[*:1]
Cc1ccc(-c2cc(OCC(=O)[O-])nc(NCc3ccc4c(c3)OCO4)n2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])COc1cc(nc(n1)NCc1ccc2OCOc2c1)[*:1]
Cc1ccc(-c2cc(OCC(=O)[O-])nc(NCc3ccc4c(c3)OCO4)n2)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)-c1cc(nc(n1)NCc1ccc2OCOc2c1)O[*:1]
Cc1ccc(-c2cc(OCC(=O)[O-])nc(NCc3ccc4c(c3)OCO4)n2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)-c1cc(nc(n1)NC[*:1])OCC(=O)[O-]
Cc1ccc(-c2cc(OCC(=O)[O-])nc(NCc3ccc4c(c3)OCO4)n2)cc1 O=C([O-])CO[*:1] Cc1ccc(cc1)-c1cc(nc(n1)NCc1ccc2OCOc2c1)[*:1]
Cc1occc1C(=O)N[C@@H](C)CC(=O)[O-] O=C([O-])C[*:1] Cc1occc1C(=O)N[C@@H](C)[*:1]
Cc1occc1C(=O)N[C@@H](C)CC(=O)[O-] O=C([O-])[*:1] Cc1occc1C(=O)N[C@@H](C)C[*:1]
O=C(N[C@H]1CCSc2ccc(F)cc21)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)N1CC[NH+](CC1)C[*:1]
O=C(N[C@H]1CCSc2ccc(F)cc21)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)N1CC[NH+](CC1)[*:1]
COC(=O)C[C@@H](C)[S@@](=O)Cc1ncoc1C(C)C CC(C)[*:1] COC(=O)C[C@@H](C)[S@@](=O)Cc1ncoc1[*:1]
COC(=O)C[C@@H](C)[S@@](=O)Cc1ncoc1C(C)C COC(=O)C[*:1] CC(C)c1ocnc1C[S@](=O)[C@H](C)[*:1]
COC(=O)C[C@@H](C)[S@@](=O)Cc1ncoc1C(C)C COC(=O)[*:1] CC(C)c1ocnc1C[S@](=O)[C@H](C)C[*:1]
O=C(CNc1ccccc1N1CCCCC1)Nc1cc(Cl)ccc1-n1cncn1 c1ncn(n1)[*:1] O=C(CNc1ccccc1N1CCCCC1)Nc1cc(Cl)ccc1[*:1]
O=C(CNc1ccccc1N1CCCCC1)Nc1cc(Cl)ccc1-n1cncn1 C1CCN(CC1)[*:1] O=C(CNc1ccccc1[*:1])Nc1cc(Cl)ccc1-n1cncn1
CN(Cc1ccsc1)C(=O)CNC(=O)c1ccc(F)cc1F c1cc(cs1)[*:1] CN(C[*:1])C(=O)CNC(=O)c1ccc(F)cc1F
CN(Cc1ccsc1)C(=O)CNC(=O)c1ccc(F)cc1F c1cc(cs1)C[*:1] CN(C(=O)CNC(=O)c1ccc(F)cc1F)[*:1]
C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)[*:1]
Cc1n[nH]c(SCCC(=O)N(C)[C@H](C)Cc2ccsc2)n1 c1cc(cs1)C[*:1] Cc1n[nH]c(n1)SCCC(=O)N(C)[C@H](C)[*:1]
Cc1n[nH]c(SCCC(=O)N(C)[C@H](C)Cc2ccsc2)n1 Cc1n[nH]c(n1)[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)CCS[*:1]
Cc1n[nH]c(SCCC(=O)N(C)[C@H](C)Cc2ccsc2)n1 c1cc(cs1)[*:1] Cc1n[nH]c(n1)SCCC(=O)N(C)[C@H](C)C[*:1]
Cc1n[nH]c(SCCC(=O)N(C)[C@H](C)Cc2ccsc2)n1 Cc1n[nH]c(n1)S[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)CC[*:1]
CCc1nc(CNC[C@H](O)c2cccc(C(F)(F)F)c2)cs1 FC(F)(F)[*:1] CCc1nc(cs1)CNC[C@H](O)c1cccc(c1)[*:1]
CCc1nc(CNC[C@H](O)c2cccc(C(F)(F)F)c2)cs1 CCc1nc(cs1)[*:1] O[C@@H](CNC[*:1])c1cccc(c1)C(F)(F)F
COc1ccc(-n2nc(C(=O)N(C)c3nccs3)cc2C)cc1 c1csc(n1)[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)N(C)[*:1]
CCOC(=O)C[C@@H](NC(=O)c1ccc[n+]([O-])c1)c1ccc(F)cc1 CCOC(=O)[*:1] O=C(N[C@H](C[*:1])c1ccc(F)cc1)c1ccc[n+]([O-])c1
CCOC(=O)C[C@@H](NC(=O)c1ccc[n+]([O-])c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)C[C@@H](NC(=O)c1ccc[n+]([O-])c1)[*:1]
CCOC(=O)C[C@@H](NC(=O)c1ccc[n+]([O-])c1)c1ccc(F)cc1 CCOC(=O)C[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])c1ccc[n+]([O-])c1
CCOC(=O)C[C@@H](NC(=O)c1ccc[n+]([O-])c1)c1ccc(F)cc1 [O-][n+]1cccc(c1)[*:1] CCOC(=O)C[C@@H](NC(=O)[*:1])c1ccc(F)cc1
CC(C)C[C@@H]1C(=O)NC(=O)C[C@H]1c1cncn1C(C)C CC(C)C[*:1] CC(C)n1cncc1[C@@H]1CC(=O)NC(=O)[C@H]1[*:1]
CC(C)C[C@@H]1C(=O)NC(=O)C[C@H]1c1cncn1C(C)C CC(C)[*:1] CC(C)C[C@@H]1C(=O)NC(=O)C[C@H]1c1cncn1[*:1]
CC(C)C[C@@H]1C(=O)NC(=O)C[C@H]1c1cncn1C(C)C CC(C)[*:1] CC(C)n1cncc1[C@@H]1CC(=O)NC(=O)[C@H]1C[*:1]
Cn1nc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1C[C@@H](O)[C@@H](CO)C1 Fc1ccc(cc1)[*:1] Cn1nc(cc1C(=O)N[C@H]1C[C@@H](O)[C@@H](CO)C1)[*:1]
Cc1nc([C@H](NC(=O)C2=CCCC2)c2ccc(Cl)cc2)no1 Cc1nc(no1)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])C1=CCCC1
Cc1nc([C@H](NC(=O)C2=CCCC2)c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1nc(no1)[C@H](NC(=O)C1=CCCC1)[*:1]
CC1=Nc2nc(SCc3ccccc3)nn2[C@H](c2ccc(O)cc2)[C@H]1C(N)=O NC(=O)[*:1] CC1=Nc2nc(nn2[C@H](c2ccc(O)cc2)[C@@H]1[*:1])SCc1ccccc1
CC1=Nc2nc(SCc3ccccc3)nn2[C@H](c2ccc(O)cc2)[C@H]1C(N)=O c1ccc(cc1)C[*:1] CC1=Nc2nc(nn2[C@H](c2ccc(O)cc2)[C@H]1C(N)=O)S[*:1]
CC1=Nc2nc(SCc3ccccc3)nn2[C@H](c2ccc(O)cc2)[C@H]1C(N)=O c1ccc(cc1)CS[*:1] CC1=Nc2nc(nn2[C@H](c2ccc(O)cc2)[C@H]1C(N)=O)[*:1]
CC1=Nc2nc(SCc3ccccc3)nn2[C@H](c2ccc(O)cc2)[C@H]1C(N)=O Oc1ccc(cc1)[*:1] CC1=Nc2nc(nn2[C@H]([C@H]1C(N)=O)[*:1])SCc1ccccc1
CC1=Nc2nc(SCc3ccccc3)nn2[C@H](c2ccc(O)cc2)[C@H]1C(N)=O c1ccc(cc1)[*:1] CC1=Nc2nc(nn2[C@H](c2ccc(O)cc2)[C@H]1C(N)=O)SC[*:1]
Cc1cncc(C(=O)NCCc2cccc(C(=O)N(C)C)c2)c1 CN(C)C(=O)[*:1] Cc1cncc(c1)C(=O)NCCc1cccc(c1)[*:1]
Cc1cncc(C(=O)NCCc2cccc(C(=O)N(C)C)c2)c1 Cc1cncc(c1)[*:1] CN(C)C(=O)c1cccc(c1)CCNC(=O)[*:1]
CCNC(=O)c1cccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 CCNC(=O)[*:1] O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(c1)[*:1]
Cc1cc(C)c2nc3c(cc2c1)CN(Cc1cccnc1)/C(=[NH+]/C[C@@H]1CCCO1)S3 c1cncc(c1)[*:1] Cc1cc(C)c2nc3S/C(=[NH+]\C[C@@H]4CCCO4)N(Cc3cc2c1)C[*:1]
Cc1cc(C)c2nc3c(cc2c1)CN(Cc1cccnc1)/C(=[NH+]/C[C@@H]1CCCO1)S3 c1cncc(c1)C[*:1] Cc1cc(C)c2nc3S/C(=[NH+]\C[C@@H]4CCCO4)N(Cc3cc2c1)[*:1]
O=[N+]([O-])c1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1O[*:1])C[NH+]1CCC(CC1)n1ccnc1
O=[N+]([O-])c1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] O=[N+]([O-])c1cc(ccc1[*:1])C[NH+]1CCC(CC1)n1ccnc1
O=[N+]([O-])c1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1Oc1ccc(F)cc1 O=[N+]([O-])[*:1] Fc1ccc(cc1)Oc1ccc(cc1[*:1])C[NH+]1CCC(CC1)n1ccnc1
O=[N+]([O-])c1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1Oc1ccc(F)cc1 c1cn(cn1)[*:1] O=[N+]([O-])c1cc(ccc1Oc1ccc(F)cc1)C[NH+]1CCC(CC1)[*:1]
C[C@@H]1CN(C(=O)CCC(=O)NC2CCCC2)c2ccccc2O1 C1CCC(C1)[*:1] C[C@@H]1CN(C(=O)CCC(=O)N[*:1])c2ccccc2O1
COCCN(C)C(=O)NCc1cc(F)cc(OC)c1 COCC[*:1] COc1cc(F)cc(c1)CNC(=O)N(C)[*:1]
COCCN(C)C(=O)NCc1cc(F)cc(OC)c1 COC[*:1] COc1cc(F)cc(c1)CNC(=O)N(C)C[*:1]
Cc1cccc(OC(=O)C(Cl)(C(F)(F)F)C(F)(F)F)c1C FC(F)(F)[*:1] Cc1cccc(OC(=O)C(Cl)(C(F)(F)F)[*:1])c1C
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@H]1CC=CCC1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)[C@H]1CC=CCC1)[*:1]
Cc1cc(S(=O)(=O)Nc2ccccc2)c2[nH]c(=O)cc(C)c2c1 c1ccc(cc1)[*:1] Cc1cc(c2[nH]c(=O)cc(C)c2c1)S(=O)(=O)N[*:1]
CCn1c(N2CCC[C@@H](C(=O)NCCOC)C2)nc2ccccc21 COC[*:1] CCn1c(nc2ccccc21)N1CCC[C@H](C1)C(=O)NC[*:1]
CCn1c(N2CCC[C@@H](C(=O)NCCOC)C2)nc2ccccc21 COCCNC(=O)[*:1] CCn1c(nc2ccccc21)N1CCC[C@@H](C1)[*:1]
CCn1c(N2CCC[C@@H](C(=O)NCCOC)C2)nc2ccccc21 COCC[*:1] CCn1c(nc2ccccc21)N1CCC[C@H](C1)C(=O)N[*:1]
CC(C)C[C@@H](C)N(C)C(=O)CSc1ccc(C(=O)N2CCCC2)cn1 CC(C)C[*:1] C[C@@H](N(C)C(=O)CSc1ccc(cn1)C(=O)N1CCCC1)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)CSc1ccc(C(=O)N2CCCC2)cn1 O=C(N1CCCC1)[*:1] CC(C)C[C@@H](C)N(C)C(=O)CSc1ccc(cn1)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)CSc1ccc(C(=O)N2CCCC2)cn1 CC(C)[*:1] C[C@H](C[*:1])N(C)C(=O)CSc1ccc(cn1)C(=O)N1CCCC1
CC(C)C(=O)N1CCN(C(=O)CCc2ccsc2)[C@H]2CS(=O)(=O)C[C@H]21 c1cc(cs1)[*:1] CC(C)C(=O)N1CCN(C(=O)CC[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CC(C)C(=O)N1CCN(C(=O)CCc2ccsc2)[C@H]2CS(=O)(=O)C[C@H]21 c1cc(cs1)C[*:1] CC(C)C(=O)N1CCN(C(=O)C[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CC(C)C(=O)N1CCN(C(=O)CCc2ccsc2)[C@H]2CS(=O)(=O)C[C@H]21 CC(C)[*:1] O=C(CCc1ccsc1)N1CCN(C(=O)[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
CC(C)C(=O)N1CCN(C(=O)CCc2ccsc2)[C@H]2CS(=O)(=O)C[C@H]21 c1cc(cs1)CC[*:1] CC(C)C(=O)N1CCN(C(=O)[*:1])[C@H]2CS(=O)(=O)C[C@H]21
C#C[C@@H](NCC)[C@H]1CSCCO1 CCN[*:1] C#C[C@@H]([C@H]1CSCCO1)[*:1]
C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](Nc1ccc(cc1)CN1CCCC1=O)c1nc(no1)[*:1]
C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)c1nc(C(C)(C)C)no1 O=C1CCCN1C[*:1] C[C@@H](Nc1ccc(cc1)[*:1])c1nc(no1)C(C)(C)C
C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)c1nc(C(C)(C)C)no1 O=C1CCCN1[*:1] C[C@@H](Nc1ccc(cc1)C[*:1])c1nc(no1)C(C)(C)C
COc1ccccc1-n1c(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2c(C)cc(C)nc21 COc1ccccc1[*:1] Cc1cc(C)c2c(=O)n(CC(=O)NCc3ccc4OCOc4c3)c(=O)n(c2n1)[*:1]
COc1ccccc1-n1c(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2c(C)cc(C)nc21 c1cc2OCOc2cc1C[*:1] COc1ccccc1-n1c(=O)n(CC(=O)N[*:1])c(=O)c2c(C)cc(C)nc21
COc1ccccc1-n1c(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2c(C)cc(C)nc21 c1cc2OCOc2cc1[*:1] COc1ccccc1-n1c(=O)n(CC(=O)NC[*:1])c(=O)c2c(C)cc(C)nc21
CCc1onc(C)c1NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CCc1onc(C)c1NC(=O)[C@@H](CC)NC(=O)O[*:1]
CCN(C(=O)COc1ccc(Br)cc1Cl)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)COc1ccc(Br)cc1Cl)[*:1]
Cc1nc(CCC[NH+]2CCN(Cc3cccc(F)c3)C(=O)C2)cs1 Cc1nc(cs1)[*:1] O=C1C[NH+](CCC[*:1])CCN1Cc1cccc(F)c1
Cc1nc(CCC[NH+]2CCN(Cc3cccc(F)c3)C(=O)C2)cs1 Fc1cccc(c1)C[*:1] Cc1nc(cs1)CCC[NH+]1CCN(C(=O)C1)[*:1]
Cc1nc(CCC[NH+]2CCN(Cc3cccc(F)c3)C(=O)C2)cs1 Cc1nc(cs1)CC[*:1] O=C1C[NH+](CCN1Cc1cccc(F)c1)C[*:1]
Cc1nc(CCC[NH+]2CCN(Cc3cccc(F)c3)C(=O)C2)cs1 Fc1cccc(c1)[*:1] Cc1nc(cs1)CCC[NH+]1CCN(C[*:1])C(=O)C1
Cc1nc(CCC[NH+]2CCN(Cc3cccc(F)c3)C(=O)C2)cs1 Cc1nc(cs1)C[*:1] O=C1C[NH+](CCN1Cc1cccc(F)c1)CC[*:1]
CC(C)[NH2+]C[C@H](O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[C@@H](O)C[NH2+][*:1]
CC(C)[NH2+]C[C@H](O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC(C)[NH2+]C[C@H](O)[C@H]1CCC[C@H](C1)[*:1]
Cc1cc(C)c(Cn2ccc([C@H]([NH3+])C3CC3)c2)c(C)c1 C1CC1[*:1] Cc1cc(C)c(Cn2ccc(c2)[C@H]([NH3+])[*:1])c(C)c1
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1c(O)cc(Cl)cc1Cl CC[C@H](C)[*:1] C[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1c(O)cc(Cl)cc1Cl CC[C@H](C)NC(=O)[*:1] C[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)[*:1]
O=C([O-])c1ccccc1C[NH2+]C1CCCC1 O=C([O-])[*:1] c1ccc(c(c1)C[NH2+]C1CCCC1)[*:1]
O=C([O-])c1ccccc1C[NH2+]C1CCCC1 C1CCC(C1)[*:1] O=C([O-])c1ccccc1C[NH2+][*:1]
N#Cc1cccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2C(F)(F)F)c1 N#Cc1cccc(c1)CS[*:1] FC(F)(F)c1ccccc1-n1c(C[NH+]2CCCCC2)nnc1[*:1]
N#Cc1cccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2C(F)(F)F)c1 N#Cc1cccc(c1)C[*:1] FC(F)(F)c1ccccc1-n1c(C[NH+]2CCCCC2)nnc1S[*:1]
N#Cc1cccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1cccc(c1)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1[*:1]
N#Cc1cccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2C(F)(F)F)c1 N#Cc1cccc(c1)[*:1] FC(F)(F)c1ccccc1-n1c(C[NH+]2CCCCC2)nnc1SC[*:1]
N#Cc1cccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2C(F)(F)F)c1 FC(F)(F)c1ccccc1[*:1] N#Cc1cccc(c1)CSc1nnc(C[NH+]2CCCCC2)n1[*:1]
CCOCc1ccccc1NC(=O)C#Cc1ccccc1 CCOC[*:1] O=C(C#Cc1ccccc1)Nc1ccccc1[*:1]
CCOCc1ccccc1NC(=O)C#Cc1ccccc1 c1ccc(cc1)[*:1] CCOCc1ccccc1NC(=O)C#C[*:1]
CCOCc1ccccc1NC(=O)C#Cc1ccccc1 CCO[*:1] O=C(C#Cc1ccccc1)Nc1ccccc1C[*:1]
CC[C@H](C)N(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] CC[C@H](C)N(C)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](c1ccncc1)[C@@H]([NH3+])CCC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](c1ccncc1)[C@@H]([NH3+])CC[*:1]
C[C@@H](c1ccncc1)[C@@H]([NH3+])CCC1CCCCC1 c1cc(ccn1)[*:1] C[C@@H]([C@@H]([NH3+])CCC1CCCCC1)[*:1]
C[C@H]1CN(c2ccc(CNS(=O)(=O)Cc3ccccc3)c[nH+]2)C[C@H](C)O1 c1ccc(cc1)C[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c[nH+]1)CNS(=O)(=O)[*:1]
C[C@H]1CN(c2ccc(CNS(=O)(=O)Cc3ccccc3)c[nH+]2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c[nH+]1)CNS(=O)(=O)C[*:1]
Cc1cnc(S(=O)(=O)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)nc1 Clc1ccc(cc1)[*:1] Cc1cnc(nc1)S(=O)(=O)[C@@H](C)C(=O)NC[*:1]
Cc1cnc(S(=O)(=O)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)nc1 Cc1cnc(nc1)[*:1] C[C@@H](C(=O)NCc1ccc(Cl)cc1)S(=O)(=O)[*:1]
CC[C@](C)([NH2+]CC(=O)Nc1c(Cl)ccc(C)c1Cl)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)([NH2+]CC(=O)Nc1c(Cl)ccc(C)c1Cl)[*:1]
Cc1nc2ccccc2n1CCNC(=O)Cc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1nc2ccccc2n1CCNC(=O)Cc1ccc(cc1)[*:1]
Nc1nc2n(n1)[C@H](c1ccccc1Br)C1=C(C[C@@H](c3cccs3)CC1=O)N2 c1csc(c1)[*:1] Nc1nc2NC3C[C@@H](CC(=O)C=3[C@@H](c3ccccc3Br)n2n1)[*:1]
Nc1nc2n(n1)[C@H](c1ccccc1Br)C1=C(C[C@@H](c3cccs3)CC1=O)N2 Brc1ccccc1[*:1] Nc1nc2NC3C[C@H](CC(=O)C=3[C@@H](n2n1)[*:1])c1cccs1
O=S(=O)(CC1CCC1)N1CCCC[C@H]1CN1CCOCC1 C1CC(C1)C[*:1] O=S(=O)(N1CCCC[C@H]1CN1CCOCC1)[*:1]
O=S(=O)(CC1CCC1)N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=S(=O)(CC1CCC1)N1CCCC[C@@H]1[*:1]
O=S(=O)(CC1CCC1)N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=S(=O)(CC1CCC1)N1CCCC[C@H]1C[*:1]
O=S(=O)(CC1CCC1)N1CCCC[C@H]1CN1CCOCC1 C1CC(C1)[*:1] O=S(=O)(C[*:1])N1CCCC[C@H]1CN1CCOCC1
CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(cc1)[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(cc1)C[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CS(C)(=O)=O)cc1 Clc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)CS(C)(=O)=O
N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@@H](C(=O)CCCOc1cccc(Cl)c1Cl)[*:1]
CC(C)[NH2+]C/C=C/c1csc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)[NH2+]C/C=C/c1csc(c1)[*:1]
CC(C)[NH2+]C/C=C/c1csc([N+](=O)[O-])c1 CC(C)[*:1] O=[N+]([O-])c1cc(/C=C/C[NH2+][*:1])cs1
C[C@@H](C(=O)N1CCc2ccccc21)[S@](=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](C(=O)N1CCc2ccccc21)[S@](=O)C[*:1]
Cc1ccc2c(=O)c3cccc(CC(=O)[O-])c3oc2c1C O=C([O-])C[*:1] Cc1ccc2c(=O)c3cccc(c3oc2c1C)[*:1]
Cc1ccc2c(=O)c3cccc(CC(=O)[O-])c3oc2c1C O=C([O-])[*:1] Cc1ccc2c(=O)c3cccc(C[*:1])c3oc2c1C
CC(C)(C)OC(=O)N1CC(CC[NH3+])(N2CCCCC2)C1 CC(C)(C)[*:1] [NH3+]CCC1(CN(C1)C(=O)O[*:1])N1CCCCC1
CC(C)(C)OC(=O)N1CC(CC[NH3+])(N2CCCCC2)C1 C1CCN(CC1)[*:1] CC(C)(C)OC(=O)N1CC(CC[NH3+])(C1)[*:1]
CCNc1cc(-c2ccc(Cl)s2)ncn1 CCN[*:1] Clc1ccc(s1)-c1cc(ncn1)[*:1]
CC1(C)CCC[C@H]1[NH2+]C[C@H](O)COCc1ccccc1Cl Clc1ccccc1[*:1] CC1(C)CCC[C@H]1[NH2+]C[C@H](O)COC[*:1]
Fc1cccc([C@@H](CNCc2cc[nH]c2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Fc1cccc(c1)[C@@H](CNCc1cc[nH]c1)[*:1]
Fc1cccc([C@@H](CNCc2cc[nH]c2)N2CCOCC2)c1 c1cc(c[nH]1)CN[*:1] Fc1cccc(c1)[C@@H](C[*:1])N1CCOCC1
Fc1cccc([C@@H](CNCc2cc[nH]c2)N2CCOCC2)c1 Fc1cccc(c1)[*:1] c1cc(c[nH]1)CNC[C@@H](N1CCOCC1)[*:1]
Fc1cccc([C@@H](CNCc2cc[nH]c2)N2CCOCC2)c1 c1cc(c[nH]1)C[*:1] Fc1cccc(c1)[C@@H](CN[*:1])N1CCOCC1
Fc1cccc([C@@H](CNCc2cc[nH]c2)N2CCOCC2)c1 c1cc(c[nH]1)[*:1] Fc1cccc(c1)[C@@H](CNC[*:1])N1CCOCC1
CCCCOc1ccc(-c2nc(C)c(C(=O)[O-])s2)cc1OC CCCC[*:1] COc1cc(ccc1O[*:1])-c1nc(C)c(s1)C(=O)[O-]
CCCCOc1ccc(-c2nc(C)c(C(=O)[O-])s2)cc1OC CCC[*:1] COc1cc(ccc1OC[*:1])-c1nc(C)c(s1)C(=O)[O-]
CCCCOc1ccc(-c2nc(C)c(C(=O)[O-])s2)cc1OC O=C([O-])[*:1] CCCCOc1ccc(cc1OC)-c1nc(C)c(s1)[*:1]
CCCCOc1ccc(-c2nc(C)c(C(=O)[O-])s2)cc1OC CCCCO[*:1] COc1cc(ccc1[*:1])-c1nc(C)c(s1)C(=O)[O-]
Cc1nc2ccccc2n(CC(=O)NCCc2nccs2)c1=O c1csc(CC[*:1])n1 Cc1nc2ccccc2n(CC(=O)N[*:1])c1=O
Cc1nc2ccccc2n(CC(=O)NCCc2nccs2)c1=O c1csc(n1)[*:1] Cc1nc2ccccc2n(CC(=O)NCC[*:1])c1=O
Cc1nc2ccccc2n(CC(=O)NCCc2nccs2)c1=O c1csc(C[*:1])n1 Cc1nc2ccccc2n(CC(=O)NC[*:1])c1=O
Cc1cc(C(F)(F)F)nc(-n2nc(C)cc2N)n1 FC(F)(F)[*:1] Cc1cc(nc(n1)-n1nc(C)cc1N)[*:1]
N#Cc1cccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c1 Brc1ccc(cc1)[*:1] N#Cc1cccc(c1)C(=O)Nc1cnn(c1)C[*:1]
N#Cc1cccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c1 Brc1ccc(cc1)C[*:1] N#Cc1cccc(c1)C(=O)Nc1cnn(c1)[*:1]
N#Cc1cccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c1 N#Cc1cccc(c1)[*:1] O=C(Nc1cnn(c1)Cc1ccc(Br)cc1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])N[C@H]1CCC[C@H](C1)C(F)(F)F
CC(=O)N(C)c1cccc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 FC(F)(F)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CC(C)CN(CC(C)C)S(=O)(=O)c1cnc(Cl)c(Cl)c1 CC(C)C[*:1] CC(C)CN(S(=O)(=O)c1cnc(Cl)c(Cl)c1)[*:1]
CC(C)CN(CC(C)C)S(=O)(=O)c1cnc(Cl)c(Cl)c1 CC(C)[*:1] CC(C)CN(C[*:1])S(=O)(=O)c1cnc(Cl)c(Cl)c1
COc1nccn(-c2ccc(C(C)C)cc2)c1=O CC(C)[*:1] COc1nccn(-c2ccc(cc2)[*:1])c1=O
CC[C@H](CO)N1CCN(C(=O)Nc2ccc(-c3nnc(C)o3)cc2)CC1 Cc1nnc(o1)[*:1] CC[C@H](CO)N1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 Cc1noc(C)c1[*:1] CC(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)C[C@@H](C)[*:1]
Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
O=C(c1cccc2cn[nH]c12)N(Cc1cccnc1)C[C@@H]1CCCO1 c1cncc(c1)[*:1] O=C(c1cccc2cn[nH]c12)N(C[C@@H]1CCCO1)C[*:1]
O=C(c1cccc2cn[nH]c12)N(Cc1cccnc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(c1cccc2cn[nH]c12)N(Cc1cccnc1)[*:1]
O=C(c1cccc2cn[nH]c12)N(Cc1cccnc1)C[C@@H]1CCCO1 c1cncc(c1)C[*:1] O=C(c1cccc2cn[nH]c12)N(C[C@@H]1CCCO1)[*:1]
COC(C)(C)[C@@H](O)Cc1ccnc2ccccc12 COC(C)(C)[*:1] O[C@@H](Cc1ccnc2ccccc12)[*:1]
C/C=C(/C)C(=O)NCCC(=O)Nc1ccc(C)cn1 CC=C(C)[*:1] Cc1ccc(nc1)NC(=O)CCNC(=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)NCCC3CC[NH+](CC)CC3)CC2)cc1 CCO[*:1] CC[NH+]1CCC(CCNC(=O)N2CC=C(CC2)c2ccc(cc2)[*:1])CC1
CCOc1ccc(C2=CCN(C(=O)NCCC3CC[NH+](CC)CC3)CC2)cc1 CCOc1ccc(cc1)[*:1] CC[NH+]1CCC(CCNC(=O)N2CC=C(CC2)[*:1])CC1
O=C(Cn1ccccc1=O)Nc1ccc(OCC(F)(F)F)nc1 FC(F)(F)[*:1] O=C(Cn1ccccc1=O)Nc1ccc(nc1)OC[*:1]
O=C(Cn1ccccc1=O)Nc1ccc(OCC(F)(F)F)nc1 FC(F)(F)CO[*:1] O=C(Cn1ccccc1=O)Nc1ccc(nc1)[*:1]
O=C(Cn1ccccc1=O)Nc1ccc(OCC(F)(F)F)nc1 FC(F)(F)C[*:1] O=C(Cn1ccccc1=O)Nc1ccc(nc1)O[*:1]
O=C(Cn1ccccc1=O)Nc1ccc(OCC(F)(F)F)nc1 O=c1ccccn1[*:1] O=C(C[*:1])Nc1ccc(nc1)OCC(F)(F)F
NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] NC(=O)c1ccc(cc1)NC(=O)c1ccccc1-c1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])c1ccccc1-c1ccc(cc1)C(F)(F)F
NC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1-c1ccc(cc1)C(F)(F)F
CC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 CC[C@@H](C)[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 CC[C@@H](C)C(=O)N[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(cc1)[*:1]
c1ccc(CNc2cccc3ccccc23)cc1 c1ccc(cc1)[*:1] c1ccc2c(cccc2c1)NC[*:1]
CCOC(=O)CN(CC(C)C)C(=O)c1cc(C)c(Br)s1 CC(C)C[*:1] CCOC(=O)CN(C(=O)c1cc(C)c(Br)s1)[*:1]
CCOC(=O)CN(CC(C)C)C(=O)c1cc(C)c(Br)s1 CC(C)[*:1] CCOC(=O)CN(C[*:1])C(=O)c1cc(C)c(Br)s1
CCOC(=O)CN(CC(C)C)C(=O)c1cc(C)c(Br)s1 CCOC(=O)C[*:1] Cc1cc(sc1Br)C(=O)N(CC(C)C)[*:1]
CCOC(=O)CN(CC(C)C)C(=O)c1cc(C)c(Br)s1 CCOC(=O)[*:1] Cc1cc(sc1Br)C(=O)N(CC(C)C)C[*:1]
CC(C)N(Cc1cccnc1)C(=O)[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CC(C)N(Cc1cccnc1)C(=O)[C@@H]1CCCN(C1)[*:1]
CC(C)N(Cc1cccnc1)C(=O)[C@@H]1CCCN(c2ncccn2)C1 c1cncc(c1)C[*:1] CC(C)N(C(=O)[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CC(C)N(Cc1cccnc1)C(=O)[C@@H]1CCCN(c2ncccn2)C1 CC(C)[*:1] O=C([C@@H]1CCCN(C1)c1ncccn1)N(Cc1cccnc1)[*:1]
CC(C)N(Cc1cccnc1)C(=O)[C@@H]1CCCN(c2ncccn2)C1 c1cncc(c1)[*:1] CC(C)N(C[*:1])C(=O)[C@@H]1CCCN(C1)c1ncccn1
CCOc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCOc1ccc(cc1)C(=O)NN=C[*:1]
CCOc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 CCO[*:1] O=C(N/N=C/c1ccccc1Cl)c1ccc(cc1)[*:1]
O=Cc1ccc(OS(=O)(=O)Cc2ccccc2F)c([N+](=O)[O-])c1 Fc1ccccc1[*:1] O=Cc1ccc(OS(=O)(=O)C[*:1])c(c1)[N+](=O)[O-]
O=Cc1ccc(OS(=O)(=O)Cc2ccccc2F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=Cc1ccc(OS(=O)(=O)Cc2ccccc2F)c(c1)[*:1]
O=C([O-])c1cc(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)[O-])ccc1O O=C([O-])[*:1] O=C([O-])c1cc(ccc1O)NC(=O)[C@@H]1CC(Cl)=CC[C@@H]1[*:1]
O=C([O-])c1cc(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)[O-])ccc1O O=C([O-])[*:1] O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccc(O)c(c1)[*:1]
O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(CC1)[*:1]
COCCOc1ccc2c(c1)NC(=O)C[C@@H]2[C@@H]1[NH+]=c2ccccc2=C1C COC[*:1] CC1=c2ccccc2=[NH+][C@H]1[C@H]1CC(=O)Nc2cc(ccc21)OC[*:1]
COCCOc1ccc2c(c1)NC(=O)C[C@@H]2[C@@H]1[NH+]=c2ccccc2=C1C COCC[*:1] CC1=c2ccccc2=[NH+][C@H]1[C@H]1CC(=O)Nc2cc(ccc21)O[*:1]
COCCOc1ccc2c(c1)NC(=O)C[C@@H]2[C@@H]1[NH+]=c2ccccc2=C1C COCCO[*:1] CC1=c2ccccc2=[NH+][C@H]1[C@H]1CC(=O)Nc2cc(ccc21)[*:1]
CC(C)NC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21 CC(C)NC(=O)[*:1] O=C(Nc1nc2c(CCC[C@@H]2[*:1])s1)c1ccc2OCOc2c1
CC(C)NC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21 c1cc2OCOc2cc1[*:1] CC(C)NC(=O)[C@H]1CCCc2sc(nc21)NC(=O)[*:1]
CC(C)NC(=O)[C@H]1CCCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21 CC(C)[*:1] O=C(Nc1nc2c(CCC[C@@H]2C(=O)N[*:1])s1)c1ccc2OCOc2c1
COc1cccc([C@H](C)NC(=O)c2ccoc2C)c1 Cc1occc1[*:1] COc1cccc(c1)[C@H](C)NC(=O)[*:1]
COc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3cc(C)on3)nc2c1 Cc1cc(no1)[*:1] COc1ccc2[nH]c(nc2c1)S[C@@H](C)C(=O)N[*:1]
Cc1ccc(C(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cn1 Cc1ccc(cn1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)OC(=O)[*:1]
COCC(=O)N1CCN2C(=O)c3cc(-c4cccs4)ccc3NC(=O)[C@H]2C1 COC[*:1] O=C1Nc2ccc(cc2C(=O)N2CCN(C[C@H]12)C(=O)[*:1])-c1cccs1
COCC(=O)N1CCN2C(=O)c3cc(-c4cccs4)ccc3NC(=O)[C@H]2C1 c1csc(c1)[*:1] COCC(=O)N1CCN2C(=O)c3cc(ccc3NC(=O)[C@H]2C1)[*:1]
COc1ccc([C@H](C)NC(=O)Nc2ccnn2C2CCCCC2)cc1F C1CCC(CC1)[*:1] COc1ccc(cc1F)[C@H](C)NC(=O)Nc1ccnn1[*:1]
CN(C)c1ccc(C(=O)N2CCCC2)cn1 CN(C)[*:1] O=C(c1ccc(nc1)[*:1])N1CCCC1
CC(C)(C)C(=O)Nc1ccc(I)cc1C(F)(F)F FC(F)(F)[*:1] CC(C)(C)C(=O)Nc1ccc(I)cc1[*:1]
CC(C)(C)C(=O)Nc1ccc(I)cc1C(F)(F)F CC(C)(C)[*:1] O=C(Nc1ccc(I)cc1C(F)(F)F)[*:1]
Cc1nnsc1C(=O)N1CCC(CNC(=O)C(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)C(=O)N[*:1]
Cc1nnsc1C(=O)N1CCC(CNC(=O)C(=O)NC(C)(C)C)CC1 Cc1nnsc1[*:1] CC(C)(C)NC(=O)C(=O)NCC1CCN(CC1)C(=O)[*:1]
COc1ccc(C)cc1[C@@H](O)CN1CCN(c2nccs2)CC1 c1csc(n1)[*:1] COc1ccc(C)cc1[C@@H](O)CN1CCN(CC1)[*:1]
C[C@@H]1CCCN1C(=O)CCN1C(=O)N[C@@](C)(c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] C[C@@H]1CCCN1C(=O)CCN1C(=O)N[C@@](C)(C1=O)[*:1]
C[C@@H]1CCCN1C(=O)CCN1C(=O)N[C@@](C)(c2c(F)cccc2F)C1=O C[C@@H]1CCCN1C(=O)[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1c(F)cccc1F
N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] N#Cc1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
N#Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 N#Cc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@@H](N1Cc1ccc2OCOc2c1)[*:1]
CN(CCc1ccccc1)C(=O)c1ccc[n+]([O-])c1 c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)c1ccc[n+]([O-])c1
Cc1cc(C)cc(/C=C/C[NH3+])c1 [NH3+]CC=C[*:1] Cc1cc(C)cc(c1)[*:1]
Cc1ccc([C@H](NC(=O)CS(=O)(=O)[C@@H](C)C(C)C)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](NC(=O)CS(=O)(=O)[C@@H](C)C(C)C)[*:1]
Cc1ccc([C@H](NC(=O)CS(=O)(=O)[C@@H](C)C(C)C)C2CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H](C)S(=O)(=O)CC(=O)N[C@H](C1CC1)[*:1]
Cc1ccc([C@H](NC(=O)CS(=O)(=O)[C@@H](C)C(C)C)C2CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@H](NC(=O)CS(=O)(=O)[C@@H](C)[*:1])C1CC1
CCCc1nnc(NC(=O)c2ccc3c(c2)NC(=O)CO3)s1 CCC[*:1] O=C1COc2ccc(cc2N1)C(=O)Nc1nnc(s1)[*:1]
O=C(Nc1ccccn1)C1CCN(C(=O)NC2CC2)CC1 c1ccc(nc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)NC1CC1
O=C(Nc1ccccn1)C1CCN(C(=O)NC2CC2)CC1 C1CC1[*:1] O=C(Nc1ccccn1)C1CCN(CC1)C(=O)N[*:1]
CC(C)(C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(C[NH2+][C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC(C)(C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(C[NH2+][C@H]1CCC[C@H](C1)[*:1])S(C)(=O)=O
COCc1cccc(NC(=O)Nc2ccc(C(N)=O)cc2)c1 COC[*:1] NC(=O)c1ccc(cc1)NC(=O)Nc1cccc(c1)[*:1]
COCc1cccc(NC(=O)Nc2ccc(C(N)=O)cc2)c1 NC(=O)[*:1] COCc1cccc(c1)NC(=O)Nc1ccc(cc1)[*:1]
CC(C)[NH2+][C@@]1(CO)CC[C@@H](Sc2ccc(C(C)C)cc2)C1 CC(C)[*:1] CC(C)c1ccc(cc1)S[C@@H]1CC[C@@](CO)(C1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(CO)CC[C@@H](Sc2ccc(C(C)C)cc2)C1 CC(C)[*:1] CC(C)[NH2+][C@@]1(CO)CC[C@H](C1)Sc1ccc(cc1)[*:1]
C#CCNC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C#CCNC(=O)N[C@H](C)c1cccc(c1)[*:1]
C#CCNC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 C#CC[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(c1)N1CCCC1
C[C@@H]1CCC[C@@H](NC(=O)CSc2nc(COc3ccc(Cl)cc3)n[nH]2)[C@@H]1C Clc1ccc(cc1)OC[*:1] C[C@@H]1CCC[C@@H](NC(=O)CSc2nc(n[nH]2)[*:1])[C@@H]1C
C[C@@H]1CCC[C@@H](NC(=O)CSc2nc(COc3ccc(Cl)cc3)n[nH]2)[C@@H]1C Clc1ccc(cc1)O[*:1] C[C@@H]1CCC[C@@H](NC(=O)CSc2nc(C[*:1])n[nH]2)[C@@H]1C
C[C@@H]1CCC[C@@H](NC(=O)CSc2nc(COc3ccc(Cl)cc3)n[nH]2)[C@@H]1C Clc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)CSc2nc(CO[*:1])n[nH]2)[C@@H]1C
CCOc1ccccc1N1C[C@@H](C(=O)N(CC#N)CC#N)CC1=O CCO[*:1] N#CCN(CC#N)C(=O)[C@H]1CC(=O)N(C1)c1ccccc1[*:1]
CCOc1ccccc1N1C[C@@H](C(=O)N(CC#N)CC#N)CC1=O N#CC[*:1] CCOc1ccccc1N1C[C@H](CC1=O)C(=O)N(CC#N)[*:1]
COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)[*:1]
COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)c1ccc(cc1)[*:1]
CNC(=O)NCC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 CNC(=O)NC[*:1] C[NH+](Cc1ccccc1CNC(=O)[*:1])C1CCCCC1
CNC(=O)NCC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 CNC(=O)N[*:1] C[NH+](Cc1ccccc1CNC(=O)C[*:1])C1CCCCC1
CNC(=O)NCC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 C1CCC(CC1)[*:1] CNC(=O)NCC(=O)NCc1ccccc1C[NH+](C)[*:1]
Cc1cccc(N2CCN(C(=O)c3ccc4sc(N)nc4c3)CC2)n1 Cc1cccc(n1)[*:1] Nc1nc2cc(ccc2s1)C(=O)N1CCN(CC1)[*:1]
Cn1nc2n(c1=O)CC[NH+](Cc1cnn(-c3ccccc3)n1)C2 c1ccc(cc1)[*:1] Cn1nc2C[NH+](CCn2c1=O)Cc1cnn(n1)[*:1]
CC(C)c1nnc(C[NH+](Cc2ccc3c(c2)OCO3)C2CCCCC2)o1 CC(C)[*:1] c1cc2OCOc2cc1C[NH+](Cc1nnc(o1)[*:1])C1CCCCC1
CC(C)c1nnc(C[NH+](Cc2ccc3c(c2)OCO3)C2CCCCC2)o1 CC(C)c1nnc(o1)[*:1] c1cc2OCOc2cc1C[NH+](C[*:1])C1CCCCC1
CC(C)c1nnc(C[NH+](Cc2ccc3c(c2)OCO3)C2CCCCC2)o1 C1CCC(CC1)[*:1] CC(C)c1nnc(C[NH+](Cc2ccc3OCOc3c2)[*:1])o1
C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(F)cn1 FC(F)O[*:1] C[C@@H]([NH2+][C@@H]1CCN(C1)c1ccccc1[*:1])c1ccc(F)cn1
C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(F)cn1 FC(F)[*:1] C[C@@H]([NH2+][C@@H]1CCN(C1)c1ccccc1O[*:1])c1ccc(F)cn1
C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H]([NH2+][C@@H]1CCN(C1)c1ccccc1OC(F)F)[*:1]
S=C(Nc1cccc(Cl)c1Cl)N(Cc1ccc2c(c1)OCO2)Cc1ccccn1 c1ccc(nc1)[*:1] S=C(Nc1cccc(Cl)c1Cl)N(Cc1ccc2OCOc2c1)C[*:1]
S=C(Nc1cccc(Cl)c1Cl)N(Cc1ccc2c(c1)OCO2)Cc1ccccn1 Clc1cccc(c1Cl)[*:1] S=C(N[*:1])N(Cc1ccc2OCOc2c1)Cc1ccccn1
S=C(Nc1cccc(Cl)c1Cl)N(Cc1ccc2c(c1)OCO2)Cc1ccccn1 c1cc2OCOc2cc1[*:1] S=C(Nc1cccc(Cl)c1Cl)N(Cc1ccccn1)C[*:1]
S=C(Nc1cccc(Cl)c1Cl)N(Cc1ccc2c(c1)OCO2)Cc1ccccn1 c1ccc(C[*:1])nc1 S=C(Nc1cccc(Cl)c1Cl)N(Cc1ccc2OCOc2c1)[*:1]
COc1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 COc1ccc(cc1)[*:1] O=C(NNS(=O)(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)S(=O)(=O)NNC(=O)c1ccc(cc1)[*:1]
CCCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c(C)c1 CCCCO[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)[*:1]
CCCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c(C)c1 CCCC[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)O[*:1]
CCCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c(C)c1 c1coc(c1)[*:1] CCCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[*:1])c(C)c1
CCCCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c(C)c1 CCC[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)OC[*:1]
COc1ccc(N2C(=O)S[C@@H](CC(=O)Nc3nc(CC(=O)[O-])cs3)C2=O)cc1 O=C([O-])C[*:1] COc1ccc(cc1)N1C(=O)S[C@@H](CC(=O)Nc2nc(cs2)[*:1])C1=O
COc1ccc(N2C(=O)S[C@@H](CC(=O)Nc3nc(CC(=O)[O-])cs3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C([O-])Cc1csc(n1)NC(=O)C[C@@H]1SC(=O)N(C1=O)[*:1]
COc1ccc(N2C(=O)S[C@@H](CC(=O)Nc3nc(CC(=O)[O-])cs3)C2=O)cc1 O=C([O-])Cc1csc(n1)[*:1] COc1ccc(cc1)N1C(=O)S[C@@H](CC(=O)N[*:1])C1=O
COc1ccc(N2C(=O)S[C@@H](CC(=O)Nc3nc(CC(=O)[O-])cs3)C2=O)cc1 O=C([O-])[*:1] COc1ccc(cc1)N1C(=O)S[C@@H](CC(=O)Nc2nc(cs2)C[*:1])C1=O
Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 CC(C)[*:1] Cc1cc(ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1cc(ccc1[N-]S(=O)(=O)[*:1])C(=O)NCC(C)C
Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 CC(C)CNC(=O)[*:1] Cc1cc(ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1)[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 CC(C)C[*:1] Cc1cc(ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1)C(=O)N[*:1]
Cc1cnc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 FC(F)(F)[*:1] Cc1cnc(cn1)C(=O)N1CCC[C@H](C1)[NH+]1CCN(CC1)c1cccc(c1)[*:1]
Cc1cnc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 Cc1cnc(cn1)[*:1] O=C(N1CCC[C@H](C1)[NH+]1CCN(CC1)c1cccc(c1)C(F)(F)F)[*:1]
Cc1cnc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 FC(F)(F)c1cccc(c1)[*:1] Cc1cnc(cn1)C(=O)N1CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cnn(CC(F)F)c1 FC(F)[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cnn(c1)C[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cnn(CC(F)F)c1 CCS[*:1] O=C(Nc1cnn(c1)CC(F)F)N[C@H]1CCCC[C@@H]1[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cnn(CC(F)F)c1 FC(F)C[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cnn(c1)[*:1]
CC(C)c1ccc([C@H](C)CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 CC(C)[*:1] C[C@H](CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2-c2ccc3ccccc3n2)cc1 Cc1ccc(cc1)[*:1] N#Cc1cnn(-c2ccc3ccccc3n2)c1[N-]S(=O)(=O)[*:1]
C=CCCS(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CCC C=CC[*:1] CCCN1C(=O)CCc2cc(ccc21)[N-]S(=O)(=O)C[*:1]
C=CCCS(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CCC CCC[*:1] C=CCCS(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2[*:1]
C=CCCS(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CCC C=CCC[*:1] CCCN1C(=O)CCc2cc(ccc21)[N-]S(=O)(=O)[*:1]
COc1ccc(CNC(=O)c2ccnc(-n3ccnc3)c2)c(OC)c1 c1cn(cn1)[*:1] COc1ccc(CNC(=O)c2ccnc(c2)[*:1])c(c1)OC
O=C(CCn1cccn1)NCc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] O=C(CCn1cccn1)NCc1ccc(cc1)NC(=O)[*:1]
O=C(CCn1cccn1)NCc1ccc(NC(=O)C2CC2)cc1 c1cnn(c1)C[*:1] O=C(C[*:1])NCc1ccc(cc1)NC(=O)C1CC1
O=C(CCn1cccn1)NCc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C(CCn1cccn1)NCc1ccc(cc1)[*:1]
O=C(CCn1cccn1)NCc1ccc(NC(=O)C2CC2)cc1 c1cnn(c1)[*:1] O=C(CC[*:1])NCc1ccc(cc1)NC(=O)C1CC1
O=C(CCn1cccn1)NCc1ccc(NC(=O)C2CC2)cc1 c1cnn(c1)CC[*:1] O=C(Nc1ccc(cc1)CNC(=O)[*:1])C1CC1
CC(=O)C1=C(C)C(C(=O)N2CCC(c3nc4ccccc4o3)CC2)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)N1CCC(CC1)c1nc2ccccc2o1
CC(=O)C1=C(C)C(C(=O)N2CCC(c3nc4ccccc4o3)CC2)=N[C@H]1C c1ccc2oc(nc2c1)[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)N1CCC(CC1)[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)NCCC(C)C)CC1 CC[C@H](C)[*:1] CC(C)CCNC(=O)N1CCN(CC1)CC(=O)N[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)NCCC(C)C)CC1 CC(C)CC[*:1] CC[C@H](C)NC(=O)CN1CCN(CC1)C(=O)N[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)NCCC(C)C)CC1 CC(C)[*:1] CC[C@H](C)NC(=O)CN1CCN(CC1)C(=O)NCC[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)NCCC(C)C)CC1 CC(C)C[*:1] CC[C@H](C)NC(=O)CN1CCN(CC1)C(=O)NC[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)NCCC(C)C)CC1 CC[C@H](C)NC(=O)[*:1] CC(C)CCNC(=O)N1CCN(CC1)C[*:1]
Cc1ccc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@@H]3c2ccc(OCC(N)=O)cc2)cc1 NC(=O)[*:1] Cc1ccc(cc1)-n1nc(-c2ccccc2)c2c1N=C(O)C[C@@H]2c1ccc(cc1)OC[*:1]
Cc1ccc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@@H]3c2ccc(OCC(N)=O)cc2)cc1 NC(=O)CO[*:1] Cc1ccc(cc1)-n1nc(-c2ccccc2)c2c1N=C(O)C[C@@H]2c1ccc(cc1)[*:1]
Cc1ccc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@@H]3c2ccc(OCC(N)=O)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc(c2c1N=C(O)C[C@@H]2c1ccc(cc1)OCC(N)=O)[*:1]
Cc1ccc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@@H]3c2ccc(OCC(N)=O)cc2)cc1 NC(=O)COc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc(-c2ccccc2)c2c1N=C(O)C[C@H]2[*:1]
Cc1ccc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@@H]3c2ccc(OCC(N)=O)cc2)cc1 Cc1ccc(cc1)[*:1] NC(=O)COc1ccc(cc1)[C@H]1CC(O)=Nc2c1c(nn2[*:1])-c1ccccc1
Cc1ccc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@@H]3c2ccc(OCC(N)=O)cc2)cc1 NC(=O)C[*:1] Cc1ccc(cc1)-n1nc(-c2ccccc2)c2c1N=C(O)C[C@@H]2c1ccc(cc1)O[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1/C=N/NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 c1csc(c1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1[N-]S(=O)(=O)[*:1]
CCCCN1C(=O)CC[C@@H](C(=O)N[C@@H]2C[C@@H]2C)[C@H]1c1ccccc1OC CCCC[*:1] COc1ccccc1[C@@H]1[C@@H](CCC(=O)N1[*:1])C(=O)N[C@@H]1C[C@@H]1C
CCCCN1C(=O)CC[C@@H](C(=O)N[C@@H]2C[C@@H]2C)[C@H]1c1ccccc1OC CCC[*:1] COc1ccccc1[C@@H]1[C@@H](CCC(=O)N1C[*:1])C(=O)N[C@@H]1C[C@@H]1C
CCCCN1C(=O)CC[C@@H](C(=O)N[C@@H]2C[C@@H]2C)[C@H]1c1ccccc1OC COc1ccccc1[*:1] CCCCN1C(=O)CC[C@@H](C(=O)N[C@@H]2C[C@@H]2C)[C@@H]1[*:1]
CCCCN1C(=O)CC[C@@H](C(=O)N[C@@H]2C[C@@H]2C)[C@H]1c1ccccc1OC C[C@H]1C[C@H]1[*:1] CCCCN1C(=O)CC[C@@H](C(=O)N[*:1])[C@H]1c1ccccc1OC
CCc1cccc2c(C3=N[NH+]=C(NC4CCCC4)SC3)c[nH]c12 C1CCC(C1)[*:1] CCc1cccc2c(c[nH]c12)C1CSC(N[*:1])=[NH+]N=1
CCOC(=O)Cc1csc(NN=Cc2ccc(Br)cc2)n1 CCOC(=O)[*:1] Brc1ccc(C=NNc2nc(cs2)C[*:1])cc1
CCOC(=O)Cc1csc(NN=Cc2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] CCOC(=O)Cc1csc(n1)NN=C[*:1]
CCOC(=O)Cc1csc(NN=Cc2ccc(Br)cc2)n1 CCOC(=O)C[*:1] Brc1ccc(C=NNc2nc(cs2)[*:1])cc1
Cc1nc(-c2cccc(C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)c2)cs1 Cc1nc(cs1)[*:1] C[C@@H]1CC[C@H](CN1C(=O)c1cccc(c1)[*:1])C(N)=O
Cc1nc(-c2cccc(C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)c2)cs1 NC(=O)[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)N1C[C@H](CC[C@H]1C)[*:1]
CSc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] CSc1cccc(c1)NC(=O)COc1ccccc1[*:1]
CC(C)(O)CNC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 CC(C)(O)[*:1] O=C(NC[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
CC(C)(O)CNC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] CC(C)(O)CNC(=O)N[C@H]1CCCC[C@H]1O[*:1]
CC(C)(O)CNC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 CC(C)(O)C[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)N[*:1]
CC(C)(O)CNC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] CC(C)(O)CNC(=O)N[C@H]1CCCC[C@@H]1[*:1]
CCNc1cc[nH+]c(CSc2ncccc2Cl)c1 CCN[*:1] Clc1cccnc1SCc1cc(cc[nH+]1)[*:1]
Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)no1 Cc1nc(no1)[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@H](C)S(=O)(=O)C[*:1]
Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)no1 Cc1nc(C[*:1])no1 Cc1ccccc1[C@H](C)NC(=O)[C@H](C)S(=O)(=O)[*:1]
Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)no1 Cc1ccccc1[*:1] Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)[*:1])no1
O=S(=O)(c1ccccc1)N1CCN(Cc2noc(C3CC3)n2)CC1 C1CC1c1nc(no1)[*:1] O=S(=O)(c1ccccc1)N1CCN(CC1)C[*:1]
O=S(=O)(c1ccccc1)N1CCN(Cc2noc(C3CC3)n2)CC1 C1CC1[*:1] O=S(=O)(c1ccccc1)N1CCN(CC1)Cc1noc(n1)[*:1]
O=S(=O)(c1ccccc1)N1CCN(Cc2noc(C3CC3)n2)CC1 c1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)Cc1noc(n1)C1CC1)[*:1]
O=c1/c(=C/c2cccc(F)c2)sc2nc(-c3ccco3)nn12 Fc1cccc(c1)[*:1] O=c1c(=C[*:1])sc2nc(nn12)-c1ccco1
O=c1/c(=C/c2cccc(F)c2)sc2nc(-c3ccco3)nn12 c1coc(c1)[*:1] O=c1/c(=C/c2cccc(F)c2)sc2nc(nn12)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)Nc1cc(Cl)ccc1F c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)Nc1cc(Cl)ccc1F
C[C@H](Cc1cccs1)N(C)C(=O)Nc1cc(Cl)ccc1F c1csc(c1)C[*:1] C[C@H](N(C)C(=O)Nc1cc(Cl)ccc1F)[*:1]
CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)NCc3cccc(Br)c3)ccc21 CC(C)[*:1] CC1(C)CN(C(=O)[*:1])c2ccc(cc21)S(=O)(=O)NCc1cccc(Br)c1
CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)NCc3cccc(Br)c3)ccc21 Brc1cccc(c1)C[*:1] CC(C)C(=O)N1CC(C)(C)c2cc(ccc21)S(=O)(=O)N[*:1]
CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)NCc3cccc(Br)c3)ccc21 Brc1cccc(c1)[*:1] CC(C)C(=O)N1CC(C)(C)c2cc(ccc21)S(=O)(=O)NC[*:1]
COc1cccc(NC(=O)NCCc2csc(-c3cccc(F)c3)n2)c1 COc1cccc(c1)[*:1] O=C(NCCc1csc(n1)-c1cccc(F)c1)N[*:1]
COc1cccc(NC(=O)NCCc2csc(-c3cccc(F)c3)n2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)NC(=O)NCCc1csc(n1)[*:1]
CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1OCC CCCC[*:1] CCOc1cc(ccc1O[*:1])[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nnnn21
CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1OCC CCCCO[*:1] CCOc1cc(ccc1[*:1])[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nnnn21
CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1OCC CCO[*:1] CCCCOc1ccc(cc1[*:1])[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nnnn21
CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1OCC CCC[*:1] CCOc1cc(ccc1OC[*:1])[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nnnn21
CN(C)C(=O)c1ccccc1OCc1cccs1 c1csc(c1)C[*:1] CN(C)C(=O)c1ccccc1O[*:1]
CN(C)C(=O)c1ccccc1OCc1cccs1 CN(C)C(=O)[*:1] c1csc(c1)COc1ccccc1[*:1]
CN(C)C(=O)c1ccccc1OCc1cccs1 c1csc(c1)[*:1] CN(C)C(=O)c1ccccc1OC[*:1]
O=C(C[C@H](O)c1cccc(F)c1)NC[C@H](O)c1ccccc1F Fc1ccccc1[*:1] O=C(C[C@H](O)c1cccc(F)c1)NC[C@H](O)[*:1]
O=C(C[C@H](O)c1cccc(F)c1)NC[C@H](O)c1ccccc1F Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])NC[C@H](O)c1ccccc1F
CSc1cccc(NC(=O)C(=O)N2CCO[C@H](c3ccccc3)C2)c1 CSc1cccc(c1)[*:1] O=C(N[*:1])C(=O)N1CCO[C@@H](C1)c1ccccc1
CSc1cccc(NC(=O)C(=O)N2CCO[C@H](c3ccccc3)C2)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)C(=O)N1CCO[C@H](C1)[*:1]
Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC=C(c3ccccc3Cl)CC2)[nH]n1 Clc1ccccc1[*:1] Cc1nn(C)c(C)c1-c1cc([nH]n1)C(=O)N1CC=C(CC1)[*:1]
Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC=C(c3ccccc3Cl)CC2)[nH]n1 Cc1nn(C)c(C)c1[*:1] O=C(c1cc(n[nH]1)[*:1])N1CC=C(CC1)c1ccccc1Cl
CC1CCC(O)(C[NH+]2CCC(OCc3ccccc3F)CC2)CC1 Fc1ccccc1C[*:1] CC1CCC(O)(CC1)C[NH+]1CCC(CC1)O[*:1]
CC1CCC(O)(C[NH+]2CCC(OCc3ccccc3F)CC2)CC1 Fc1ccccc1[*:1] CC1CCC(O)(CC1)C[NH+]1CCC(CC1)OC[*:1]
CC1CCC(O)(C[NH+]2CCC(OCc3ccccc3F)CC2)CC1 CC1CCC(O)(CC1)[*:1] Fc1ccccc1COC1CC[NH+](CC1)C[*:1]
CC(=O)Nc1cc(NC(=O)c2ccc(Cl)s2)ccc1F CC(=O)N[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1ccc(Cl)s1
CC(=O)Nc1cc(NC(=O)c2ccc(Cl)s2)ccc1F Clc1ccc(s1)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)[*:1]
Cc1cc(C)cc(NC(=O)C[NH+]2CCN(Cc3nc(-c4ccccc4)cs3)CC2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)C[NH+]1CCN(CC1)Cc1nc(cs1)[*:1]
Cc1cc(C)cc(NC(=O)C[NH+]2CCN(Cc3nc(-c4ccccc4)cs3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc(cs1)-c1ccccc1)N[*:1]
COc1cc(NC(=O)c2cccc(F)c2Cl)ccc1N1CCCC1=O O=C1CCCN1[*:1] COc1cc(ccc1[*:1])NC(=O)c1cccc(F)c1Cl
COc1cc(NC(=O)c2cccc(F)c2Cl)ccc1N1CCCC1=O Fc1cccc(c1Cl)[*:1] COc1cc(ccc1N1CCCC1=O)NC(=O)[*:1]
CCCOC(=O)c1cnn([C@H](C)CC)c1C1CC1 CCCOC(=O)[*:1] CC[C@@H](C)n1ncc(c1C1CC1)[*:1]
CCCOC(=O)c1cnn([C@H](C)CC)c1C1CC1 C1CC1[*:1] CCCOC(=O)c1cnn(c1[*:1])[C@H](C)CC
CCCOC(=O)c1cnn([C@H](C)CC)c1C1CC1 CC[C@@H](C)[*:1] CCCOC(=O)c1cnn(c1C1CC1)[*:1]
CCCOC(=O)c1cnn([C@H](C)CC)c1C1CC1 CCC[*:1] CC[C@@H](C)n1ncc(C(=O)O[*:1])c1C1CC1
O=C(CNC(=O)c1cccs1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 O=C(N[*:1])c1cccs1 O=C(C[*:1])N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1
O=C(CNC(=O)c1cccs1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 c1csc(c1)[*:1] O=C(CNC(=O)[*:1])N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1
O=C(CNC(=O)c1cccs1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 c1nc2ccc(cc2[nH]1)[*:1] O=C(CNC(=O)c1cccs1)N[C@H](c1ccccc1)[*:1]
O=C(CNC(=O)c1cccs1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 O=C(NC[*:1])c1cccs1 O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)[*:1]
O=C(CNC(=O)c1cccs1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1cccs1)N[C@H](c1ccc2nc[nH]c2c1)[*:1]
COCCCNC(=O)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 COCC[*:1] COc1ccc2[nH]cc(C3=CCN(CC3)C(=O)NC[*:1])c2c1
COCCCNC(=O)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 COC[*:1] COc1ccc2[nH]cc(C3=CCN(CC3)C(=O)NCC[*:1])c2c1
COCCCNC(=O)N1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 COCCC[*:1] COc1ccc2[nH]cc(C3=CCN(CC3)C(=O)N[*:1])c2c1
COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCC2=CCCCC2)cc1C COc1ccc(cc1C)[*:1] O=S1(=O)C[C@H]([NH2+]CCC2=CCCCC2)[C@@H](C1)S(=O)(=O)[*:1]
O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)C1=NN(c2ccccc2)C(=O)CC1 Clc1ccccc1[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])C1CCC(=O)N(N=1)c1ccccc1
O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)C1CCC(=O)N(N=1)[*:1]
O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)C1=NN(c2ccccc2)C(=O)CC1 C1CN(CCO1)[*:1] O=C(NC[C@H](c1ccccc1Cl)[*:1])C1CCC(=O)N(N=1)c1ccccc1
CCN(C(=O)CCc1nc2ccccc2n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCN(C(=O)CCc1nc2ccccc2n1[*:1])[C@@H]1CCS(=O)(=O)C1
CCOCC1CCN(C(=O)NCc2cn(C)nc2CC)CC1 CCO[*:1] CCc1nn(C)cc1CNC(=O)N1CCC(CC1)C[*:1]
CCOCC1CCN(C(=O)NCc2cn(C)nc2CC)CC1 CCOC[*:1] CCc1nn(C)cc1CNC(=O)N1CCC(CC1)[*:1]
COc1ccccc1-c1c(C)nn2c(N[C@H](C)c3ccccc3)cc(C)nc12 C[C@@H](N[*:1])c1ccccc1 COc1ccccc1-c1c(C)nn2c(cc(C)nc12)[*:1]
COc1ccccc1-c1c(C)nn2c(N[C@H](C)c3ccccc3)cc(C)nc12 c1ccc(cc1)[*:1] COc1ccccc1-c1c(C)nn2c(cc(C)nc12)N[C@H](C)[*:1]
COc1ccccc1-c1c(C)nn2c(N[C@H](C)c3ccccc3)cc(C)nc12 C[C@H](c1ccccc1)[*:1] COc1ccccc1-c1c(C)nn2c(cc(C)nc12)N[*:1]
COc1ccccc1-c1c(C)nn2c(N[C@H](C)c3ccccc3)cc(C)nc12 COc1ccccc1[*:1] Cc1cc(N[C@H](C)c2ccccc2)n2nc(C)c(c2n1)[*:1]
O=C(Nc1ccc(-c2nccs2)cc1)c1cc(Cl)ccc1F c1csc(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(Cl)ccc1F
Cc1nc(-c2ccc(S(=O)(=O)N3CCN(C4c5ccccc5-c5ccccc54)CC3)s2)cs1 Cc1nc(cs1)[*:1] O=S(=O)(c1ccc(s1)[*:1])N1CCN(CC1)C1c2ccccc2-c2ccccc21
Cc1nc(-c2ccc(S(=O)(=O)N3CCN(C4c5ccccc5-c5ccccc54)CC3)s2)cs1 Cc1nc(cs1)-c1ccc(s1)[*:1] O=S(=O)(N1CCN(CC1)C1c2ccccc2-c2ccccc21)[*:1]
C=CCn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O C=CC[*:1] O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1[*:1]
C=CCn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O Clc1cccc(c1)[*:1] C=CCn1c(nc2ccccc2c1=O)SC[*:1]
Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)c1 Cc1cccc(c1)[*:1] Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)N[*:1])c(C)c21
Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)c1 Cc1cccc(c1)NC(=O)[*:1] Cc1occc1C(=O)N/N=C1\CCCc2oc(c(C)c21)[*:1]
Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)c1 Cc1occc1[*:1] Cc1cccc(c1)NC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
CCn1cnnc1C1CCN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 CC(=O)[*:1] CCn1cnnc1C1CCN(CC1)C(=O)c1[nH]c(C)c(c1C)[*:1]
CCn1cnnc1C1CCN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 CCn1cnnc1[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)[*:1])c1C
O=C([O-])c1cc(NC(=S)NC(=O)c2ccccc2Cl)c(Cl)cc1Cl Clc1ccccc1[*:1] O=C([O-])c1cc(NC(=S)NC(=O)[*:1])c(Cl)cc1Cl
O=C([O-])c1cc(NC(=S)NC(=O)c2ccccc2Cl)c(Cl)cc1Cl O=C([O-])[*:1] O=C(NC(=S)Nc1cc(c(Cl)cc1Cl)[*:1])c1ccccc1Cl
COC(=O)N1CCc2c(sc(NC(=O)C3=COCCO3)c2C(N)=O)C1 NC(=O)[*:1] COC(=O)N1CCc2c(C1)sc(NC(=O)C1=COCCO1)c2[*:1]
CC(C)NS(=O)(=O)c1ccsc1CO CC(C)[*:1] O=S(=O)(N[*:1])c1ccsc1CO
O=C1CCSc2ccc(C(=O)NO[C@H]3CCCCO3)cc2N1 C1CC[C@@H](OC1)[*:1] O=C1CCSc2ccc(cc2N1)C(=O)NO[*:1]
Cc1cccc([C@H]2N=C(c3ccc4nc([O-])oc4c3)CS2)c1 Cc1cccc(c1)[*:1] [O-]c1nc2ccc(cc2o1)C1CS[C@H](N=1)[*:1]
CC(C)(C)c1nnc(SCc2ccc(Cl)nc2)n1N CC(C)(C)[*:1] Nn1c(nnc1[*:1])SCc1ccc(Cl)nc1
Cc1ccc(NC(=O)NC[C@H](C)C#N)c(F)c1 C[C@H](C#N)C[*:1] Cc1ccc(NC(=O)N[*:1])c(F)c1
Cc1ccc(NC(=O)NC[C@H](C)C#N)c(F)c1 C[C@H](C#N)[*:1] Cc1ccc(NC(=O)NC[*:1])c(F)c1
C[NH2+][C@@H](C)c1ccccc1O[C@H](C)C(=O)N(C)C CN(C)C(=O)[*:1] C[NH2+][C@@H](C)c1ccccc1O[C@H](C)[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)Nc1nc2ccc(cc2s1)[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 Cc1cccc(c1)O[*:1] C[C@@H](C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O)[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O
O=C(CNC(=O)c1ccc2c(c1)CCC2)NCc1cscn1 c1nc(cs1)C[*:1] O=C(CNC(=O)c1ccc2CCCc2c1)N[*:1]
O=C(CNC(=O)c1ccc2c(c1)CCC2)NCc1cscn1 c1nc(cs1)[*:1] O=C(CNC(=O)c1ccc2CCCc2c1)NC[*:1]
COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COc1ccc2c(C(=O)O[C@@H]2N2C(=O)CC[C@H]2C(=O)N[*:1])c1OC
COc1ccc2c(c1)N(S(=O)(=O)CC1CCC1)CCO2 C1CC(C1)[*:1] COc1ccc2OCCN(c2c1)S(=O)(=O)C[*:1]
COc1ccc2c(c1)N(S(=O)(=O)CC1CCC1)CCO2 C1CC(C1)C[*:1] COc1ccc2OCCN(c2c1)S(=O)(=O)[*:1]
CC(=O)N[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)C(C)C Fc1ccccc1[*:1] CC(=O)N[C@@H](C(=O)N1CCN(CC1)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)N1CCN(CC1)c1ccccc1F)[*:1]
CC(=O)N[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccccc1F)[*:1]
COc1ccc(NC(=O)[C@@H](Nc2cccc(C)c2)c2ccccc2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)[C@@H](N[*:1])c1ccccc1
COc1ccc(NC(=O)[C@@H](Nc2cccc(C)c2)c2ccccc2)cc1 Cc1cccc(c1)N[*:1] COc1ccc(cc1)NC(=O)[C@@H](c1ccccc1)[*:1]
COc1ccc(NC(=O)[C@@H](Nc2cccc(C)c2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H](Nc1cccc(C)c1)[*:1]
COc1ccc(NC(=O)[C@@H](Nc2cccc(C)c2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)N[C@H](C(=O)N[*:1])c1ccccc1
C[C@@H]1CCc2c(sc3ncn(CCCO)c(=O)c23)C1 OCC[*:1] C[C@@H]1CCc2c(C1)sc1ncn(C[*:1])c(=O)c21
C[C@@H]1CCc2c(sc3ncn(CCCO)c(=O)c23)C1 OCCC[*:1] C[C@@H]1CCc2c(C1)sc1ncn(c(=O)c21)[*:1]
Cc1cc(C)c(S(=O)(=O)[N-]c2cn[nH]c2-c2ccccn2)c(C)c1 c1ccc(nc1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)[N-]c1cn[nH]c1[*:1]
Cc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 Cc1ccc(cc1)[*:1] CC1(C)C[C@H](NS(=O)(=O)[*:1])c2ccccc2O1
O=NNc1ncc(Cl)cc1Cl O=NN[*:1] Clc1cnc(c(Cl)c1)[*:1]
CN(CCc1ccccn1)C(=O)CNC(=O)Nc1cccc(N2CCCCC2)c1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)CNC(=O)Nc1cccc(c1)N1CCCCC1
CN(CCc1ccccn1)C(=O)CNC(=O)Nc1cccc(N2CCCCC2)c1 C1CCN(CC1)[*:1] CN(CCc1ccccn1)C(=O)CNC(=O)Nc1cccc(c1)[*:1]
CN(CCc1ccccn1)C(=O)CNC(=O)Nc1cccc(N2CCCCC2)c1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)CNC(=O)Nc1cccc(c1)N1CCCCC1
CN(CCc1ccccn1)C(=O)CNC(=O)Nc1cccc(N2CCCCC2)c1 c1ccc(CC[*:1])nc1 CN(C(=O)CNC(=O)Nc1cccc(c1)N1CCCCC1)[*:1]
CON(C)C(=O)COc1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] CON(C)C(=O)COc1ccccc1[*:1]
CON(C)C(=O)COc1ccccc1Cc1ccccc1 CON(C)C(=O)[*:1] c1ccc(cc1)Cc1ccccc1OC[*:1]
CON(C)C(=O)COc1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] CON(C)C(=O)COc1ccccc1C[*:1]
CON(C)C(=O)COc1ccccc1Cc1ccccc1 CON(C)C(=O)C[*:1] c1ccc(cc1)Cc1ccccc1O[*:1]
CC(C)(Cn1cc[nH+]c1C(N)=S)C(=O)[O-] O=C([O-])[*:1] CC(C)(Cn1cc[nH+]c1C(N)=S)[*:1]
CC(C)(Cn1cc[nH+]c1C(N)=S)C(=O)[O-] NC(=S)[*:1] CC(C)(Cn1cc[nH+]c1[*:1])C(=O)[O-]
Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1C(=O)N1CCOCC1 Cc1ccccc1[*:1] O=C(c1ccc(Cl)cc1)N1C[C@H](C(=O)N2CCOCC2)[C@@H](C1)[*:1]
Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1ccccc1[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccc(Cl)cc1
Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1C(=O)N1CCOCC1 Clc1ccc(cc1)[*:1] Cc1ccccc1[C@@H]1CN(C[C@@H]1C(=O)N1CCOCC1)C(=O)[*:1]
COC(=O)[C@@H](CNc1snc(Cl)c1C#N)Cc1ccc(O)cc1 COC(=O)[*:1] N#Cc1c(Cl)nsc1NC[C@@H](Cc1ccc(O)cc1)[*:1]
COC(=O)[C@@H](CNc1snc(Cl)c1C#N)Cc1ccc(O)cc1 Oc1ccc(cc1)[*:1] COC(=O)[C@@H](CNc1snc(Cl)c1C#N)C[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](C)S[*:1]
Cn1c(N2CCCCCC2)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C Clc1ccccc1[*:1] Cn1c(nc2c1c(=O)n(C[*:1])c(=O)n2C)N1CCCCCC1
Cn1c(N2CCCCCC2)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C C1CCCN(CC1)[*:1] Cn1c(nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C)[*:1]
Cn1c(N2CCCCCC2)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C Clc1ccccc1C[*:1] Cn1c(nc2c1c(=O)n(c(=O)n2C)[*:1])N1CCCCCC1
FC(F)(F)COc1ccccc1CSc1ccc(Cl)nn1 FC(F)(F)CO[*:1] Clc1ccc(nn1)SCc1ccccc1[*:1]
FC(F)(F)COc1ccccc1CSc1ccc(Cl)nn1 Clc1ccc(nn1)[*:1] FC(F)(F)COc1ccccc1CS[*:1]
FC(F)(F)COc1ccccc1CSc1ccc(Cl)nn1 FC(F)(F)[*:1] Clc1ccc(nn1)SCc1ccccc1OC[*:1]
FC(F)(F)COc1ccccc1CSc1ccc(Cl)nn1 FC(F)(F)C[*:1] Clc1ccc(nn1)SCc1ccccc1O[*:1]
Cc1ccncc1NC(=O)NCC(=O)N1CCc2ccccc2C1 Cc1ccncc1[*:1] O=C(NCC(=O)N1CCc2ccccc2C1)N[*:1]
C[C@@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)[O-])cn1c23 O=C([O-])[*:1] C[C@@H]1COc2c(F)c(F)cc3c(=O)c(cn1c23)[*:1]
O=C(NCCCc1nnc2n1CCCCC2)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NCCCc1nnc2CCCCCn21)N[*:1]
COC(=O)[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@H](c2ccc(O)cc2)C3)[C@@H](O)[C@@H](O)[C@@H]1O Oc1ccc(cc1)[*:1] COC(=O)[C@H]1O[C@@H](Oc2ccc3C[C@@H](COc3c2)[*:1])[C@@H](O)[C@@H](O)[C@@H]1O
COC(=O)[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@H](c2ccc(O)cc2)C3)[C@@H](O)[C@@H](O)[C@@H]1O COC(=O)[*:1] Oc1ccc(cc1)[C@H]1COc2cc(ccc2C1)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)[*:1]
COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccnc(OC(C)(C)C)c1 COc1ccccc1[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)[C@@H]1C[C@H]1[*:1]
COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccnc(c1)[*:1]
COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccnc(c1)O[*:1]
CCCNS(=O)(=O)c1cc(Cl)c(C)cc1OCCC CCCO[*:1] CCCNS(=O)(=O)c1cc(Cl)c(C)cc1[*:1]
CCCNS(=O)(=O)c1cc(Cl)c(C)cc1OCCC CCC[*:1] CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[*:1]
CCCNS(=O)(=O)c1cc(Cl)c(C)cc1OCCC CCC[*:1] CCCNS(=O)(=O)c1cc(Cl)c(C)cc1O[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 CCC[*:1] CNS(=O)(=O)c1cc(ccc1OC)C(=O)N1CCC[C@@H](C)[C@@H]1[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 CNS(=O)(=O)[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(OC)c(c1)[*:1]
Cc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1CC(=O)Nc2c1cnn2[*:1]
Cc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1ncc2c1NC(=O)C[C@@H]2[*:1]
Cc1c(C(=O)N2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] CC(C)[*:1] Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N1CC[NH+](CC1)C[*:1]
Cc1c(C(=O)N2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[*:1])[N+](=O)[O-])C(=O)N1CC[NH+](CC1)CC(C)C
Cc1c(C(=O)N2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] CC(C)C[*:1] Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N1CC[NH+](CC1)[*:1]
Cc1c(C(=O)N2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[N+](=O)[O-])[*:1])C(=O)N1CC[NH+](CC1)CC(C)C
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN21 Fc1ccccc1[*:1] Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2CCCN21)[*:1]
COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] COc1cc(ccc1OCC(=O)N1CCC[C@H]1[*:1])C(C)=O
COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@@H]1c1cccs1 CC(=O)[*:1] COc1cc(ccc1OCC(=O)N1CCC[C@@H]1c1cccs1)[*:1]
O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1cccs1)Nc1ccccc1[*:1]
O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccccc1-c1ccccc1 c1csc(c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1ccccc1-c1ccccc1
Cc1c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)oc2c(Cl)cccc12 C1CCN(C1)[*:1] Cc1c(oc2c(Cl)cccc12)C(=O)NCc1cc[nH+]c(c1)[*:1]
CCc1nsc(N[C@H]2CC(=O)N(C(C)(C)C)C2)n1 CC(C)(C)[*:1] CCc1nsc(n1)N[C@H]1CC(=O)N(C1)[*:1]
Fc1ccc2c(c1)=C[C@@H](CN1CCN(c3ncccn3)CC1)[NH+]=2 c1cnc(nc1)[*:1] Fc1ccc2=[NH+][C@@H](C=c2c1)CN1CCN(CC1)[*:1]
CC[C@H](NS(=O)(=O)CC(C)C)c1cc(F)ccc1F CC(C)[*:1] CC[C@H](NS(=O)(=O)C[*:1])c1cc(F)ccc1F
CC[C@H](NS(=O)(=O)CC(C)C)c1cc(F)ccc1F CC(C)C[*:1] CC[C@H](NS(=O)(=O)[*:1])c1cc(F)ccc1F
CCCc1cc(NC(=O)C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)n(C)n1 CCC[*:1] C[C@H]1[C@H](CCN1C(=O)C(=O)Nc1cc(nn1C)[*:1])c1ccccc1
CCCc1cc(NC(=O)C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)n(C)n1 c1ccc(cc1)[*:1] CCCc1cc(NC(=O)C(=O)N2CC[C@H]([C@@H]2C)[*:1])n(C)n1
Cc1nc(-c2c[nH]c(C(=O)NC(C)(C)C)c2)cs1 CC(C)(C)[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N[*:1]
Cc1nc(-c2c[nH]c(C(=O)NC(C)(C)C)c2)cs1 Cc1nc(cs1)[*:1] CC(C)(C)NC(=O)c1cc(c[nH]1)[*:1]
CC(=O)c1ccc(OCC(=O)N[C@@H](C)C(C)C)cc1 CC(=O)[*:1] CC(C)[C@H](C)NC(=O)COc1ccc(cc1)[*:1]
CC(=O)c1ccc(OCC(=O)N[C@@H](C)C(C)C)cc1 CC(C)[C@H](C)[*:1] CC(=O)c1ccc(cc1)OCC(=O)N[*:1]
CC(=O)c1ccc(OCC(=O)N[C@@H](C)C(C)C)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)OCC(=O)N[C@@H](C)[*:1]
CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl CCCNC(=O)[*:1] O=S(=O)([N-]c1ccc(c(Cl)c1)[*:1])c1ccc(F)c(F)c1
CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl Fc1ccc(cc1F)[*:1] CCCNC(=O)c1ccc(cc1Cl)[N-]S(=O)(=O)[*:1]
CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Cl CCC[*:1] O=C(N[*:1])c1ccc(cc1Cl)[N-]S(=O)(=O)c1ccc(F)c(F)c1
C=CC(=O)N(CCC)C1CCC([NH3+])CC1 CCC[*:1] C=CC(=O)N(C1CCC([NH3+])CC1)[*:1]
CNS(=O)(=O)c1cc(C(=O)[O-])ccc1N(C)C CNS(=O)(=O)[*:1] CN(C)c1ccc(cc1[*:1])C(=O)[O-]
CNS(=O)(=O)c1cc(C(=O)[O-])ccc1N(C)C CN(C)[*:1] CNS(=O)(=O)c1cc(ccc1[*:1])C(=O)[O-]
CNS(=O)(=O)c1cc(C(=O)[O-])ccc1N(C)C O=C([O-])[*:1] CNS(=O)(=O)c1cc(ccc1N(C)C)[*:1]
CC[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2C1=O CC(C)[*:1] CC[C@@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1nnc(s1)[*:1]
CC[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2C1=O CC[C@@H](C)[*:1] CC(C)c1nnc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)[*:1])s1
CC[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2C1=O CC(C)c1nnc(s1)[*:1] CC[C@@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COc1ccc(C2=N/C(=C/c3cnc(C(C)(C)C)s3)C(=O)O2)cc1[N+](=O)[O-] CC(C)(C)[*:1] COc1ccc(cc1[N+](=O)[O-])C1=N/C(=C/c2cnc(s2)[*:1])C(=O)O1
COc1ccc(C2=N/C(=C/c3cnc(C(C)(C)C)s3)C(=O)O2)cc1[N+](=O)[O-] CC(C)(C)c1ncc(s1)[*:1] COc1ccc(cc1[N+](=O)[O-])C1=NC(=C[*:1])C(=O)O1
COc1ccc(C2=N/C(=C/c3cnc(C(C)(C)C)s3)C(=O)O2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C1=N/C(=C/c2cnc(s2)C(C)(C)C)C(=O)O1
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)c1 c1nc2cc(ccc2[nH]1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)c1 CCOC(=O)[*:1] O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
Cc1cc(NC2CCN(C(=O)c3ccoc3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1cc(nc(n1)[*:1])NC1CCN(CC1)C(=O)c1ccoc1
Cc1cc(NC2CCN(C(=O)c3ccoc3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 c1cc(co1)[*:1] Cc1cc(nc(n1)-c1cccc(c1)[N+](=O)[O-])NC1CCN(CC1)C(=O)[*:1]
Cc1cc(NC2CCN(C(=O)c3ccoc3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] Cc1cc(nc(n1)-c1cccc(c1)[*:1])NC1CCN(CC1)C(=O)c1ccoc1
Cc1cc(N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)n2ncnc2n1 FC(F)(F)[*:1] Cc1cc(N(C)C[C@@H](O)COc2ccccc2[*:1])n2ncnc2n1
CC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1F N#Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)N[C@H](C)[*:1])c1cc(F)ccc1F
CC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)[*:1]
Cc1ccc(CS(=O)(=O)Cc2cn3ccccc3n2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Cc1cn2ccccc2n1)C[*:1]
C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H](O)C2)o1 C[C@@H]1C[C@@H]1[*:1] O=C(CCc1ccc(o1)[*:1])N1CCC[C@H](O)C1
C[C@@H](NC(=O)CN1CCCC1=O)c1cccc2ccccc12 O=C1CCCN1[*:1] C[C@@H](NC(=O)C[*:1])c1cccc2ccccc12
C[C@@H](NC(=O)CN1CCCC1=O)c1cccc2ccccc12 O=C1CCCN1C[*:1] C[C@@H](NC(=O)[*:1])c1cccc2ccccc12
Cc1cccc(OCCCNC(=O)c2ccc(S(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)OCCCNC(=O)c1ccc(cc1)[*:1]
Cc1cccc(OCCCNC(=O)c2ccc(S(C)(=O)=O)cc2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)NCCCO[*:1]
Cc1cccc(OCCCNC(=O)c2ccc(S(C)(=O)=O)cc2)c1 Cc1cccc(c1)O[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)NCCC[*:1]
CCC[NH+]1CCN(c2ccccc2C[NH+](C)Cc2cccn2C)CC1 CCC[*:1] Cn1cccc1C[NH+](C)Cc1ccccc1N1CC[NH+](CC1)[*:1]
CCC[NH+]1CCN(c2ccccc2C[NH+](C)Cc2cccn2C)CC1 Cn1cccc1[*:1] CCC[NH+]1CCN(CC1)c1ccccc1C[NH+](C)C[*:1]
CCC[NH+]1CCN(c2ccccc2C[NH+](C)Cc2cccn2C)CC1 Cn1cccc1C[*:1] CCC[NH+]1CCN(CC1)c1ccccc1C[NH+](C)[*:1]
C[C@@H](C1CC1)N(C(=O)c1ccc(F)cc1)C1CC1 C[C@@H](C1CC1)[*:1] O=C(c1ccc(F)cc1)N(C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)c1ccc(F)cc1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)c1ccc(F)cc1)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)c1ccc(F)cc1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)c1ccc(F)cc1)[*:1]
O=C(CN1C[C@@H](CCN2CCCC2=O)c2ccccc21)NCc1ccco1 O=C1CCCN1[*:1] O=C(CN1C[C@@H](CC[*:1])c2ccccc21)NCc1ccco1
O=C(CN1C[C@@H](CCN2CCCC2=O)c2ccccc21)NCc1ccco1 O=C1CCCN1CC[*:1] O=C(CN1C[C@@H](c2ccccc21)[*:1])NCc1ccco1
O=C(CN1C[C@@H](CCN2CCCC2=O)c2ccccc21)NCc1ccco1 O=C1CCCN1C[*:1] O=C(CN1C[C@@H](C[*:1])c2ccccc21)NCc1ccco1
O=C(CN1C[C@@H](CCN2CCCC2=O)c2ccccc21)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=C1CCCN1CC[C@@H]1CN(C[*:1])c2ccccc21
O=C(CN1C[C@@H](CCN2CCCC2=O)c2ccccc21)NCc1ccco1 c1coc(c1)C[*:1] O=C(CN1C[C@@H](CCN2CCCC2=O)c2ccccc21)N[*:1]
O=C(CN1C[C@@H](CCN2CCCC2=O)c2ccccc21)NCc1ccco1 c1coc(c1)[*:1] O=C(CN1C[C@@H](CCN2CCCC2=O)c2ccccc21)NC[*:1]
CCNC(=O)C1CCN(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)CC1 c1ncn(n1)[*:1] CCNC(=O)C1CCN(CC1)C(=O)N[C@@H](C[*:1])c1ccccc1
CCNC(=O)C1CCN(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)CC1 c1ncn(C[*:1])n1 CCNC(=O)C1CCN(CC1)C(=O)N[C@@H](c1ccccc1)[*:1]
CCNC(=O)C1CCN(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCNC(=O)C1CCN(CC1)C(=O)N[C@@H](Cn1cncn1)[*:1]
CCNC(=O)C1CCN(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)CC1 CCNC(=O)[*:1] O=C(N[C@@H](Cn1cncn1)c1ccccc1)N1CCC(CC1)[*:1]
Cc1cc2cc([C@H](C)[NH2+]C[C@H]3CN(C4CC4)CCO3)oc2cc1C C1CC1[*:1] Cc1cc2cc(oc2cc1C)[C@H](C)[NH2+]C[C@H]1CN(CCO1)[*:1]
O=C1CCC[C@H]1[C@H]1CCCN1C(=O)c1c(F)cccc1Cl O=C1CCC[C@@H]1[*:1] O=C(c1c(F)cccc1Cl)N1CCC[C@@H]1[*:1]
FC(F)(F)c1nnc2ccc(NCCCOC3CCOCC3)nn12 C1CC(CCO1)[*:1] FC(F)(F)c1nnc2ccc(nn12)NCCCO[*:1]
FC(F)(F)c1nnc2ccc(NCCCOC3CCOCC3)nn12 C1CC(CCO1)OC[*:1] FC(F)(F)c1nnc2ccc(nn12)NCC[*:1]
FC(F)(F)c1nnc2ccc(NCCCOC3CCOCC3)nn12 C1CC(CCO1)O[*:1] FC(F)(F)c1nnc2ccc(nn12)NCCC[*:1]
FC(F)(F)c1nnc2ccc(NCCCOC3CCOCC3)nn12 FC(F)(F)[*:1] c1cc2nnc(n2nc1NCCCOC1CCOCC1)[*:1]
CCc1ncc(S(=O)(=O)N(CC)CC(C)(C)O)[nH]1 CC(C)(O)C[*:1] CCc1ncc([nH]1)S(=O)(=O)N(CC)[*:1]
CCc1ncc(S(=O)(=O)N(CC)CC(C)(C)O)[nH]1 CC(C)(O)[*:1] CCc1ncc([nH]1)S(=O)(=O)N(CC)C[*:1]
COc1ccc(-c2noc(CN(C)S(C)(=O)=O)n2)cc1 CN(S(C)(=O)=O)[*:1] COc1ccc(cc1)-c1noc(C[*:1])n1
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 O=C([O-])[*:1] O=S(=O)(N[C@H](C[*:1])c1ccccc1)c1ccc2OCCOc2c1
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2OCCOc2c1)[*:1]
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 O=C([O-])C[*:1] O=S(=O)(N[C@@H](c1ccccc1)[*:1])c1ccc2OCCOc2c1
Cn1c(=O)n(CC(=O)NCCOc2ccc(F)cc2)c2ccccc21 Fc1ccc(cc1)O[*:1] Cn1c(=O)n(CC(=O)NCC[*:1])c2ccccc21
Cn1c(=O)n(CC(=O)NCCOc2ccc(F)cc2)c2ccccc21 Fc1ccc(cc1)[*:1] Cn1c(=O)n(CC(=O)NCCO[*:1])c2ccccc21
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CC[NH+](CC)CC(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC(C)NC(=O)C[C@H](C)NC(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC(C)NC(=O)C[*:1] C[C@H](NC(=O)Nc1ccc(F)c(c1)C(=O)N(C)C)[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC(C)[*:1] C[C@@H](CC(=O)N[*:1])NC(=O)Nc1ccc(F)c(c1)C(=O)N(C)C
CC(C)NC(=O)C[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC(C)NC(=O)[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccc(F)c(c1)C(=O)N(C)C
O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1cccc(-c2nnn[n-]2)c1 Fc1ccc(cc1F)[*:1] O=C(CCC(=O)[*:1])Nc1cccc(c1)-c1nnn[n-]1
CCC[NH2+][C@@H]([C@@H](C)CC)[C@@H]1CCCc2ccccc21 CC[C@H](C)[*:1] CCC[NH2+][C@@H]([C@@H]1CCCc2ccccc21)[*:1]
CCC[NH2+][C@@H]([C@@H](C)CC)[C@@H]1CCCc2ccccc21 CCC[*:1] CC[C@H](C)[C@H]([NH2+][*:1])[C@@H]1CCCc2ccccc21
COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 COc1ccc(cc1)[*:1] C[C@H]1CCc2nc(NC(=O)CCCS(=O)(=O)[*:1])sc2C1
COCc1cccc(CNC(=O)N2CCCN(C(C)=O)CC2)c1 COC[*:1] CC(=O)N1CCCN(CC1)C(=O)NCc1cccc(c1)[*:1]
CCCOC(=O)c1cn(Cc2ccccc2)nn1 CCCOC(=O)[*:1] c1ccc(cc1)Cn1cc(nn1)[*:1]
CCCOC(=O)c1cn(Cc2ccccc2)nn1 c1ccc(cc1)[*:1] CCCOC(=O)c1cn(C[*:1])nn1
CCCOC(=O)c1cn(Cc2ccccc2)nn1 CCC[*:1] O=C(O[*:1])c1cn(Cc2ccccc2)nn1
CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1F c1nnnn1[*:1] CCOc1ccc(cc1F)NC(=O)[C@@H](Cc1ccccc1)[*:1]
CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1F c1ccc(cc1)[*:1] CCOc1ccc(cc1F)NC(=O)[C@@H](C[*:1])n1cnnn1
CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1F c1ccc(cc1)C[*:1] CCOc1ccc(cc1F)NC(=O)[C@@H](n1cnnn1)[*:1]
CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1F CCO[*:1] O=C(Nc1ccc(c(F)c1)[*:1])[C@@H](Cc1ccccc1)n1cnnn1
O=C(/C=C/C1CCCCC1)Nc1c(F)cccc1Br C1CCC(CC1)[*:1] O=C(C=C[*:1])Nc1c(F)cccc1Br
CCc1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2CC(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)NC(=O)[C@@H](C)Sc1nc(C)c(C)n1C[*:1]
CCc1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2CC(C)C)cc1 CC(C)C[*:1] CCc1ccc(cc1)NC(=O)[C@@H](C)Sc1nc(C)c(C)n1[*:1]
CCc1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2CC(C)C)cc1 CCc1ccc(cc1)[*:1] Cc1nc(S[C@H](C)C(=O)N[*:1])n(CC(C)C)c1C
CCC(CC)c1cc(C(=O)N2CC[C@H](C(=O)OC)c3ccccc32)on1 CCC(CC)[*:1] COC(=O)[C@H]1CCN(C(=O)c2cc(no2)[*:1])c2ccccc21
CCC(CC)c1cc(C(=O)N2CC[C@H](C(=O)OC)c3ccccc32)on1 COC(=O)[*:1] CCC(CC)c1cc(on1)C(=O)N1CC[C@H](c2ccccc21)[*:1]
CC(C)c1nc(CCNC(=O)Nc2ccc(F)c(C#N)c2)cs1 CC(C)[*:1] N#Cc1cc(ccc1F)NC(=O)NCCc1csc(n1)[*:1]
CO[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)CCc1ccccc1F Fc1ccccc1[*:1] CO[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)CC[*:1]
Cc1cc(F)ccc1NC(=O)[C@@H](C)n1nc(-c2ccc(C)c(S(N)(=O)=O)c2)c2c(c1=O)CCCC2 Cc1ccc(cc1S(N)(=O)=O)[*:1] Cc1cc(F)ccc1NC(=O)[C@@H](C)n1nc(c2CCCCc2c1=O)[*:1]
Cc1cc(F)ccc1NC(=O)[C@@H](C)n1nc(-c2ccc(C)c(S(N)(=O)=O)c2)c2c(c1=O)CCCC2 NS(=O)(=O)[*:1] Cc1cc(F)ccc1NC(=O)[C@@H](C)n1nc(-c2ccc(C)c(c2)[*:1])c2CCCCc2c1=O
Cc1cc(F)ccc1NC(=O)[C@@H](C)n1nc(-c2ccc(C)c(S(N)(=O)=O)c2)c2c(c1=O)CCCC2 Cc1cc(F)ccc1[*:1] Cc1ccc(cc1S(N)(=O)=O)-c1nn(c(=O)c2CCCCc12)[C@H](C)C(=O)N[*:1]
Cc1cc(F)ccc1NC(=O)[C@@H](C)n1nc(-c2ccc(C)c(S(N)(=O)=O)c2)c2c(c1=O)CCCC2 Cc1cc(F)ccc1NC(=O)[*:1] Cc1ccc(cc1S(N)(=O)=O)-c1nn(c(=O)c2CCCCc12)[C@H](C)[*:1]
O=C(Nc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] O=C(Nc1ccc(Cl)cc1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 Clc1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cccnc1
Cc1ccc(-c2nnn(C[C@@H](O)COc3cc(C)ccc3C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)OC[C@H](O)Cn1nnc(n1)[*:1]
Cc1ccc(-c2nnn(C[C@@H](O)COc3cc(C)ccc3C)n2)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)-c1nnn(C[C@@H](O)CO[*:1])n1
Cc1cc(C(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(N1CCCC[C@@H]1CCn1cc[nH+]c1)[*:1]
O=C(Nc1cccc(Br)n1)c1ccc2c(c1)Cc1ccccc1-2 Brc1cccc(n1)[*:1] O=C(N[*:1])c1ccc2c(c1)Cc1ccccc1-2
O=C([O-])CCNC(=O)COc1ccccc1Cl O=C([O-])C[*:1] O=C(COc1ccccc1Cl)NC[*:1]
O=C([O-])CCNC(=O)COc1ccccc1Cl O=C([O-])[*:1] O=C(COc1ccccc1Cl)NCC[*:1]
O=C([O-])CCNC(=O)COc1ccccc1Cl O=C([O-])CC[*:1] O=C(COc1ccccc1Cl)N[*:1]
O=S(=O)(c1ccc(COc2ccccn2)cc1)C(F)F O=S(=O)(C(F)F)[*:1] c1ccc(nc1)OCc1ccc(cc1)[*:1]
O=S(=O)(c1ccc(COc2ccccn2)cc1)C(F)F c1ccc(nc1)[*:1] O=S(=O)(c1ccc(cc1)CO[*:1])C(F)F
O=S(=O)(c1ccc(COc2ccccn2)cc1)C(F)F FC(F)[*:1] O=S(=O)(c1ccc(cc1)COc1ccccn1)[*:1]
COC(=O)c1cccc(-c2nc(CC3CC[NH+](C)CC3)no2)c1 COC(=O)[*:1] C[NH+]1CCC(CC1)Cc1noc(n1)-c1cccc(c1)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1 c1cc2OCCOc2cc1[*:1] O=C(N[*:1])C1CCN(CC1)c1ncccc1S(=O)(=O)N1CCCCC1
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1ccc2OCCOc2c1)C1CCN(CC1)c1ncccc1[*:1]
O=C(NCc1n[nH]c(=S)n1C1CC1)c1ccc(-n2cccn2)c(F)c1 c1cnn(c1)[*:1] O=C(NCc1n[nH]c(=S)n1C1CC1)c1ccc(c(F)c1)[*:1]
O=C(NCc1n[nH]c(=S)n1C1CC1)c1ccc(-n2cccn2)c(F)c1 C1CC1[*:1] O=C(NCc1n[nH]c(=S)n1[*:1])c1ccc(c(F)c1)-n1cccn1
Cc1cnccc1CCN[C@@H]1CC2(CCCC2)Oc2ccccc21 Cc1cnccc1C[*:1] c1ccc2c(c1)OC1(CCCC1)C[C@H]2NC[*:1]
Cc1cnccc1CCN[C@@H]1CC2(CCCC2)Oc2ccccc21 Cc1cnccc1[*:1] c1ccc2c(c1)OC1(CCCC1)C[C@H]2NCC[*:1]
CCC[C@@H](C)[NH2+]C[C@H](O)c1ccncc1 CCC[*:1] C[C@@H]([NH2+]C[C@H](O)c1ccncc1)[*:1]
CCC[C@@H](C)[NH2+]C[C@H](O)c1ccncc1 CCC[C@@H](C)[*:1] O[C@@H](C[NH2+][*:1])c1ccncc1
C[C@@H](NC(=O)NCc1cc(=O)[nH]c2ccccc12)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)NCc1cc(=O)[nH]c2ccccc12)[*:1]
C[C@@H](NC(=O)NCc1cc(=O)[nH]c2ccccc12)C1CCCCC1 C[C@@H](C1CCCCC1)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)N[*:1]
CCCCNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 CCC[*:1] C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[*:1])C1
CCCCNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 CCCC[*:1] C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[*:1])C1
C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cccc3c2OCO3)CC1 C1CCC(C1)[*:1] C[C@@H](C(=O)N[*:1])N1CC[NH+](CC1)Cc1cccc2OCOc12
C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cccc3c2OCO3)CC1 O=C(NC1CCCC1)[*:1] C[C@@H](N1CC[NH+](CC1)Cc1cccc2OCOc12)[*:1]
CCOC(=O)C1(C)CCN(C(=O)NCC2(Sc3ccccc3)CC2)CC1 c1ccc(cc1)S[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)NCC1(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)NCC2(Sc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)NCC1(CC1)S[*:1]
CCOC(=O)C1(C)CCN(C(=O)NCC2(Sc3ccccc3)CC2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)NCC1(CC1)Sc1ccccc1)[*:1]
Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)nn1C Fc1ccc(cc1)[*:1] Cc1cc(nn1C)C(=O)N[C@H](C(C)(C)C)[*:1]
Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)nn1C Cc1cc(nn1C)[*:1] CC(C)(C)[C@H](NC(=O)[*:1])c1ccc(F)cc1
Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)nn1C CC(C)(C)[*:1] Cc1cc(nn1C)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
O=C1CCC(C(=O)NCC[NH+]2CCC(O)(c3ccc(F)cc3)CC2)=NN1 Fc1ccc(cc1)[*:1] O=C1CCC(=NN1)C(=O)NCC[NH+]1CCC(O)(CC1)[*:1]
Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2cnc(-c3ccccc3)s2)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2cnc(-c3ccccc3)s2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)[C@@H](C)NC(=O)C(=O)Nc1cnc(s1)[*:1]
CC[C@@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1c(C)nn(C)c1C C[C@H](Cc1ccsc1)[*:1] CC[C@@H](NC(=O)N(C)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1c(C)nn(C)c1C c1cc(cs1)C[*:1] CC[C@@H](NC(=O)N(C)[C@H](C)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1c(C)nn(C)c1C c1cc(cs1)[*:1] CC[C@@H](NC(=O)N(C)[C@H](C)C[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)[*:1]
CC(C)CC1([C@H]([NH3+])c2ccc(Br)s2)CCCC1 CC(C)[*:1] [NH3+][C@H](c1ccc(Br)s1)C1(CCCC1)C[*:1]
CC(C)CC1([C@H]([NH3+])c2ccc(Br)s2)CCCC1 CC(C)C[*:1] [NH3+][C@H](c1ccc(Br)s1)C1(CCCC1)[*:1]
CN[C@](C#N)(CSC[C@@H](C)CO)C1CC1 C[C@@H](CO)[*:1] CN[C@](C#N)(CSC[*:1])C1CC1
CN[C@](C#N)(CSC[C@@H](C)CO)C1CC1 C[C@@H](CO)C[*:1] CN[C@](C#N)(CS[*:1])C1CC1
CN[C@](C#N)(CSC[C@@H](C)CO)C1CC1 C1CC1[*:1] CN[C@](C#N)(CSC[C@@H](C)CO)[*:1]
CC(C)(C)C(=O)NCC(=O)N1CCN(c2ccc(O)cc2)CC1 CC(C)(C)C(=O)N[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(O)cc1
CC(C)(C)C(=O)NCC(=O)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] CC(C)(C)C(=O)NCC(=O)N1CCN(CC1)[*:1]
CC(C)(C)C(=O)NCC(=O)N1CCN(c2ccc(O)cc2)CC1 CC(C)(C)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1ccc(O)cc1
COc1ccc(C[NH+]2CCC(Nc3cc(CSC)ccn3)CC2)cc1F CSC[*:1] COc1ccc(cc1F)C[NH+]1CCC(CC1)Nc1cc(ccn1)[*:1]
CC[C@H](C)n1ncc(C(=O)Nc2ccc(NC(N)=O)c(OC)c2)c1C1CC1 NC(=O)N[*:1] CC[C@H](C)n1ncc(C(=O)Nc2ccc(c(c2)OC)[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)Nc2ccc(NC(N)=O)c(OC)c2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)Nc2ccc(NC(N)=O)c(c2)OC)c1[*:1]
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] Cc1cc2c(CC(C)(C)C[C@H]2NC(=O)C[*:1])o1
C[C@H](Cn1cc[nH+]c1)NC(=O)OCCO OCC[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)O[*:1]
CCc1ccc(C(=O)N2CC/C(=N/O)c3ccccc32)o1 CCc1ccc(o1)[*:1] O=C(N1CC/C(=N/O)c2ccccc21)[*:1]
Cn1c(=O)c2c(-c3cccc(Br)c3)c(NCc3ccccc3)oc2n(C)c1=O Brc1cccc(c1)[*:1] Cn1c(=O)c2c(c(NCc3ccccc3)oc2n(C)c1=O)[*:1]
Cn1c(=O)c2c(-c3cccc(Br)c3)c(NCc3ccccc3)oc2n(C)c1=O c1ccc(cc1)CN[*:1] Cn1c(=O)c2c(-c3cccc(Br)c3)c(oc2n(C)c1=O)[*:1]
Cn1c(=O)c2c(-c3cccc(Br)c3)c(NCc3ccccc3)oc2n(C)c1=O c1ccc(cc1)C[*:1] Cn1c(=O)c2c(-c3cccc(Br)c3)c(N[*:1])oc2n(C)c1=O
Cn1c(=O)c2c(-c3cccc(Br)c3)c(NCc3ccccc3)oc2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(-c3cccc(Br)c3)c(NC[*:1])oc2n(C)c1=O
COc1cc([C@H](N)C(F)(F)F)ccc1OCC(C)C N[C@H](C(F)(F)F)[*:1] COc1cc(ccc1OCC(C)C)[*:1]
COc1cc([C@H](N)C(F)(F)F)ccc1OCC(C)C CC(C)CO[*:1] COc1cc(ccc1[*:1])[C@H](N)C(F)(F)F
COc1cc([C@H](N)C(F)(F)F)ccc1OCC(C)C CC(C)C[*:1] COc1cc(ccc1O[*:1])[C@H](N)C(F)(F)F
COc1cc([C@H](N)C(F)(F)F)ccc1OCC(C)C CC(C)[*:1] COc1cc(ccc1OC[*:1])[C@H](N)C(F)(F)F
COc1cc([C@H](N)C(F)(F)F)ccc1OCC(C)C FC(F)(F)[*:1] COc1cc(ccc1OCC(C)C)[C@H](N)[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)C[NH3+] CC(C)(C)[*:1] [NH3+]CC(=O)N1CCC[C@@H]1CNC(=O)O[*:1]
O=C1CCC(=O)N1c1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(Br)cc1)=N2 Clc1ccccc1[*:1] O=C1CCC(=O)N1c1nc2N=C(C[C@@H](n2n1)[*:1])c1ccc(Br)cc1
O=C1CCC(=O)N1c1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(Br)cc1)=N2 Brc1ccc(cc1)[*:1] O=C1CCC(=O)N1c1nc2N=C(C[C@@H](c3ccccc3Cl)n2n1)[*:1]
O=C1CCC(=O)N1c1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(Br)cc1)=N2 O=C1CCC(=O)N1[*:1] Clc1ccccc1[C@@H]1CC(=Nc2nc(nn21)[*:1])c1ccc(Br)cc1
Cc1ccc(N(Cc2ccc(C(=O)N3CCc4ccccc4C3)cc2)S(C)(=O)=O)cc1C Cc1ccc(cc1C)[*:1] CS(=O)(=O)N(Cc1ccc(cc1)C(=O)N1CCc2ccccc2C1)[*:1]
COc1ccc(-c2nc(CN(C)CCc3cccs3)co2)cc1 c1csc(c1)C[*:1] COc1ccc(cc1)-c1nc(co1)CN(C)C[*:1]
COc1ccc(-c2nc(CN(C)CCc3cccs3)co2)cc1 c1csc(c1)CC[*:1] COc1ccc(cc1)-c1nc(co1)CN(C)[*:1]
COc1ccc(-c2nc(CN(C)CCc3cccs3)co2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)-c1nc(co1)CN(C)CC[*:1]
O=C([O-])c1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 O=C([O-])[*:1] O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(cc1)[*:1]
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(-n3cnnn3)cc1)C2=O c1nnnn1[*:1] C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(cc1)[*:1])C2=O
Cc1nc([C@H](C)NC(=O)Nc2ccc(-c3csnn3)cc2)cs1 c1snnc1[*:1] Cc1nc(cs1)[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1nc([C@H](C)NC(=O)Nc2ccc(-c3csnn3)cc2)cs1 Cc1nc(cs1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)-c1csnn1)[*:1]
Cc1ccccc1[C@H](CC(C)C)NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1 Cc1ccccc1[*:1] CC(C)C[C@H](NC(=O)C=C1CN(C1)C(=O)OC(C)(C)C)[*:1]
Cc1ccccc1[C@H](CC(C)C)NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1ccccc1[C@H](CC(C)C)NC(=O)C=C1CN(C1)C(=O)O[*:1]
Cc1ccccc1[C@H](CC(C)C)NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1 CC(C)[*:1] Cc1ccccc1[C@H](C[*:1])NC(=O)C=C1CN(C1)C(=O)OC(C)(C)C
Cc1ccccc1[C@H](CC(C)C)NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1 CC(C)C[*:1] Cc1ccccc1[C@H](NC(=O)C=C1CN(C1)C(=O)OC(C)(C)C)[*:1]
O=C(C[C@@H](O)c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N1CCN(CC1)c1cc[nH+]cc1
CN(Cc1ccco1)C(=O)c1nn(C)c2ccc(Cl)cc2c1=O c1coc(c1)[*:1] CN(C[*:1])C(=O)c1nn(C)c2ccc(Cl)cc2c1=O
CN(Cc1ccco1)C(=O)c1nn(C)c2ccc(Cl)cc2c1=O c1coc(c1)C[*:1] CN(C(=O)c1nn(C)c2ccc(Cl)cc2c1=O)[*:1]
NC(=O)[C@@H]1COCCN1C(=O)c1cccc(-n2cccn2)c1 NC(=O)[*:1] O=C(c1cccc(c1)-n1cccn1)N1CCOC[C@H]1[*:1]
NC(=O)[C@@H]1COCCN1C(=O)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] NC(=O)[C@@H]1COCCN1C(=O)c1cccc(c1)[*:1]
C=CCCCN(C)c1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 C=CCCCN(C)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)[*:1]
C=CCCCN(C)c1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 C=CCCC[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N(C)[*:1]
C=CCCCN(C)c1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 C=CCC[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N(C)C[*:1]
C=CCCCN(C)c1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 C=CC[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N(C)CC[*:1]
Cc1cc(-c2cc(=O)n([C@H](C)C(=O)NC3CCCCC3)nc2-c2ccc(C)s2)on1 O=C(NC1CCCCC1)[*:1] Cc1cc(on1)-c1cc(=O)n(nc1-c1ccc(C)s1)[C@H](C)[*:1]
Cc1cc(-c2cc(=O)n([C@H](C)C(=O)NC3CCCCC3)nc2-c2ccc(C)s2)on1 Cc1cc(on1)[*:1] Cc1ccc(s1)-c1nn(c(=O)cc1[*:1])[C@H](C)C(=O)NC1CCCCC1
Cc1cc(-c2cc(=O)n([C@H](C)C(=O)NC3CCCCC3)nc2-c2ccc(C)s2)on1 C1CCC(CC1)[*:1] Cc1cc(on1)-c1cc(=O)n(nc1-c1ccc(C)s1)[C@H](C)C(=O)N[*:1]
Cc1cc(-c2cc(=O)n([C@H](C)C(=O)NC3CCCCC3)nc2-c2ccc(C)s2)on1 Cc1ccc(s1)[*:1] Cc1cc(on1)-c1cc(=O)n(nc1[*:1])[C@H](C)C(=O)NC1CCCCC1
Cc1cc(C)n(CC2CC[NH+](CC3(CN4CCOCC4)CCCCC3)CC2)n1 Cc1cc(C)n(n1)[*:1] C1CCC(CC1)(CN1CCOCC1)C[NH+]1CCC(CC1)C[*:1]
Cc1cc(C)n(CC2CC[NH+](CC3(CN4CCOCC4)CCCCC3)CC2)n1 C1CN(CCO1)C[*:1] Cc1cc(C)n(CC2CC[NH+](CC2)CC2(CCCCC2)[*:1])n1
Cc1cc(C)n(CC2CC[NH+](CC3(CN4CCOCC4)CCCCC3)CC2)n1 Cc1cc(C)n(C[*:1])n1 C1CCC(CC1)(CN1CCOCC1)C[NH+]1CCC(CC1)[*:1]
Cc1cc(C)n(CC2CC[NH+](CC3(CN4CCOCC4)CCCCC3)CC2)n1 C1CN(CCO1)[*:1] Cc1cc(C)n(CC2CC[NH+](CC2)CC2(CCCCC2)C[*:1])n1
CC(C)c1nn(C)c(N2CCOCC2)c1CN1CCS[C@H](C)[C@H]1C C1CN(CCO1)[*:1] CC(C)c1nn(C)c(c1CN1CCS[C@H](C)[C@H]1C)[*:1]
CC(C)c1nn(C)c(N2CCOCC2)c1CN1CCS[C@H](C)[C@H]1C CC(C)[*:1] C[C@H]1SCCN(Cc2c(nn(C)c2N2CCOCC2)[*:1])[C@@H]1C
COc1cc(NC2CCN(S(=O)(=O)C3CC3)CC2)ccc1[N+](=O)[O-] C1CC1[*:1] COc1cc(ccc1[N+](=O)[O-])NC1CCN(CC1)S(=O)(=O)[*:1]
COc1cc(NC2CCN(S(=O)(=O)C3CC3)CC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])NC1CCN(CC1)S(=O)(=O)C1CC1
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCCO)[C@H]3C=C12 OCC[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]C[*:1])[C@H]3C=C12
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCCO)[C@H]3C=C12 OCCC[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][*:1])[C@H]3C=C12
[NH3+]C1(C(=O)NCC[C@@H]2CN(Cc3ccccn3)CCO2)CCCC1 c1ccc(C[*:1])nc1 [NH3+]C1(CCCC1)C(=O)NCC[C@@H]1CN(CCO1)[*:1]
[NH3+]C1(C(=O)NCC[C@@H]2CN(Cc3ccccn3)CCO2)CCCC1 c1ccc(nc1)[*:1] [NH3+]C1(CCCC1)C(=O)NCC[C@@H]1CN(CCO1)C[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)c1ccc(N)c(Cl)c1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)c1ccc(N)c(Cl)c1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)c1ccc(N)c(Cl)c1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)c1ccc(N)c(Cl)c1
CC(C)(C)N(CC(=O)[O-])C(=O)c1ccc(N)c(Cl)c1 CC(C)(C)[*:1] Nc1ccc(cc1Cl)C(=O)N(CC(=O)[O-])[*:1]
COc1ccc(-c2ocnc2C(=O)Nc2ccc3c(c2)CCC3)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2CCCc2c1)c1ncoc1[*:1]
Cc1ccc(-c2csc3ncn(NC(=O)[C@H]4CCS(=O)(=O)C4)c(=O)c23)cc1 Cc1ccc(cc1)[*:1] O=C(Nn1cnc2scc(c2c1=O)[*:1])[C@H]1CCS(=O)(=O)C1
CCCc1nnc(C(=O)Nc2cccc(C(=O)NC3CCCC3)c2)s1 CCC[*:1] O=C(NC1CCCC1)c1cccc(c1)NC(=O)c1nnc(s1)[*:1]
CCCc1nnc(C(=O)Nc2cccc(C(=O)NC3CCCC3)c2)s1 O=C(NC1CCCC1)[*:1] CCCc1nnc(s1)C(=O)Nc1cccc(c1)[*:1]
CCCc1nnc(C(=O)Nc2cccc(C(=O)NC3CCCC3)c2)s1 CCCc1nnc(s1)[*:1] O=C(NC1CCCC1)c1cccc(c1)NC(=O)[*:1]
CCCc1nnc(C(=O)Nc2cccc(C(=O)NC3CCCC3)c2)s1 C1CCC(C1)[*:1] CCCc1nnc(s1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CCCn1cncc1-c1nc(COC)cc(NN)n1 CCC[*:1] COCc1cc(nc(n1)-c1cncn1[*:1])NN
CCCn1cncc1-c1nc(COC)cc(NN)n1 COC[*:1] CCCn1cncc1-c1nc(cc(n1)[*:1])NN
CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1C CC(=O)[*:1] CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2cccc(c2)[*:1])c1C
CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1C CC(=O)N[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H](C)Nc1cccc(c1C)[*:1]
Cc1oc(C)c(S(N)(=O)=O)c1C(=O)OCC(=O)NCC(F)(F)F FC(F)(F)[*:1] Cc1oc(C)c(c1C(=O)OCC(=O)NC[*:1])S(N)(=O)=O
Cc1oc(C)c(S(N)(=O)=O)c1C(=O)OCC(=O)NCC(F)(F)F FC(F)(F)C[*:1] Cc1oc(C)c(c1C(=O)OCC(=O)N[*:1])S(N)(=O)=O
Cc1oc(C)c(S(N)(=O)=O)c1C(=O)OCC(=O)NCC(F)(F)F NS(=O)(=O)[*:1] Cc1oc(C)c(c1C(=O)OCC(=O)NCC(F)(F)F)[*:1]
NC(=O)CS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 NC(=O)C[*:1] O=S(=O)(c1ccc(F)cc1)c1nc(oc1S(=O)(=O)[*:1])-c1cccs1
NC(=O)CS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)CS(=O)(=O)c1oc(nc1S(=O)(=O)[*:1])-c1cccs1
NC(=O)CS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 NC(=O)CS(=O)(=O)[*:1] O=S(=O)(c1ccc(F)cc1)c1nc(oc1[*:1])-c1cccs1
NC(=O)CS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 c1csc(c1)[*:1] NC(=O)CS(=O)(=O)c1oc(nc1S(=O)(=O)c1ccc(F)cc1)[*:1]
NC(=O)CS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 NC(=O)[*:1] O=S(=O)(C[*:1])c1oc(nc1S(=O)(=O)c1ccc(F)cc1)-c1cccs1
COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-n1cnc2c1N=C(O)C[C@@H]2[*:1]
COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] OC1C[C@@H](c2ccc(F)cc2)c2ncn(c2N=1)[*:1]
CCCCS(=O)(=O)c1nc2nc(C)c(Br)c(C)c2s1 CCC[*:1] Cc1nc2nc(sc2c(C)c1Br)S(=O)(=O)C[*:1]
CCCCS(=O)(=O)c1nc2nc(C)c(Br)c(C)c2s1 CCCC[*:1] Cc1nc2nc(sc2c(C)c1Br)S(=O)(=O)[*:1]
CN(CCOCC1CC1)C(=O)c1cc2c(s1)-c1ccccc1OC2 C1CC1C[*:1] CN(CCO[*:1])C(=O)c1cc2COc3ccccc3-c2s1
CN(CCOCC1CC1)C(=O)c1cc2c(s1)-c1ccccc1OC2 C(C[*:1])OCC1CC1 CN(C(=O)c1cc2COc3ccccc3-c2s1)[*:1]
CN(CCOCC1CC1)C(=O)c1cc2c(s1)-c1ccccc1OC2 C1CC1CO[*:1] CN(CC[*:1])C(=O)c1cc2COc3ccccc3-c2s1
CN(CCOCC1CC1)C(=O)c1cc2c(s1)-c1ccccc1OC2 C1CC1[*:1] CN(CCOC[*:1])C(=O)c1cc2COc3ccccc3-c2s1
CN(CCOCC1CC1)C(=O)c1cc2c(s1)-c1ccccc1OC2 C1CC1COC[*:1] CN(C[*:1])C(=O)c1cc2COc3ccccc3-c2s1
CCNC(=O)CNc1ncnc2c1CCCC2 CCNC(=O)[*:1] c1nc2CCCCc2c(n1)NC[*:1]
C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1N)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nnc(n1N)[*:1])c1ccc(cc1)-c1ccccc1
C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1N)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1N)c1ccc(cc1)[*:1]
CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)c2ccc(F)cc2F)CC1 CCNC(=O)C[*:1] C[C@H](CNC(=O)N1CCN(CC1)[*:1])c1ccc(F)cc1F
CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)c2ccc(F)cc2F)CC1 CCNC(=O)[*:1] C[C@H](CNC(=O)N1CCN(CC1)C[*:1])c1ccc(F)cc1F
CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] CCNC(=O)CN1CCN(CC1)C(=O)NC[C@@H](C)[*:1]
NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 C1CCN(C1)[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc([nH+]c1)[*:1]
NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 NS(=O)(=O)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)c1ccc(cc1)[*:1]
CCOC(=O)N1CCC(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)N(C)[C@H](C)[*:1]
Cc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1noc(-c2cnc(nc2[C@@H]2CCCN2C(=O)C[*:1])N(C)C)c1C
Cc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 CN(C)[*:1] Cc1ccc(cc1)CC(=O)N1CCC[C@H]1c1nc(ncc1-c1onc(C)c1C)[*:1]
Cc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1noc(-c2cnc(nc2[C@@H]2CCCN2C(=O)[*:1])N(C)C)c1C
Cc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 Cc1noc(c1C)[*:1] Cc1ccc(cc1)CC(=O)N1CCC[C@H]1c1nc(ncc1[*:1])N(C)C
Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c(O)c1 Cc1ccc(c(O)c1)[*:1] C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C1)C(=O)[*:1]
CCOC1CCN(S(=O)(=O)c2cc(C)cc(N)c2C)CC1 CCO[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1cc(C)cc(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)C1CCN(CC1)c1nc2cccnc2n(c1=O)[*:1]
Cc1cc(C)cc(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)c1nc2cccnc2n(Cc2ccccc2)c1=O
Cc1cc(C)cc(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)c1 Cc1cc(C)cc(c1)NC(=O)[*:1] O=c1c(nc2cccnc2n1Cc1ccccc1)N1CCC(CC1)[*:1]
Cc1cc(C)cc(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)C1CCN(CC1)c1nc2cccnc2n(C[*:1])c1=O
O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)C1CCCC1 C1CC1[*:1] O=C(Nc1ccc2c(c1)CCCN2C(=O)[*:1])C1CCCC1
O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)C1CCCC1 C1CCC(C1)[*:1] O=C(C1CC1)N1CCCc2cc(ccc21)NC(=O)[*:1]
Cc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)N1CCC[C@](C)(C1)C(=O)NC[*:1]
Cc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)cc1F Cc1ccc(cc1F)[*:1] C[C@]1(CCCN(C1)C(=O)N[*:1])C(=O)NCc1ccccc1
Cc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)cc1F c1ccc(cc1)C[*:1] Cc1ccc(cc1F)NC(=O)N1CCC[C@](C)(C1)C(=O)N[*:1]
C[C@@H](Sc1nc(-c2ccc3c(c2)OCO3)ccc1C#N)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Sc1nc(ccc1C#N)-c1ccc2OCOc2c1)[*:1]
Cc1cc(NC(=O)N[C@@H](C)COc2ccc(F)cc2F)n(C)n1 Cc1cc(n(C)n1)[*:1] C[C@@H](COc1ccc(F)cc1F)NC(=O)N[*:1]
CCN[C@]1(C(N)=O)CC[C@@H](N2C[C@H](C)OC(C)(C)C2)C1 CCN[*:1] C[C@H]1CN(CC(C)(C)O1)[C@@H]1CC[C@](C1)(C(N)=O)[*:1]
CCN[C@]1(C(N)=O)CC[C@@H](N2C[C@H](C)OC(C)(C)C2)C1 NC(=O)[*:1] CCN[C@@]1(CC[C@H](C1)N1C[C@H](C)OC(C)(C)C1)[*:1]
Cn1nc(Br)c2c(NCCS(N)(=O)=O)ncnc21 NS(=O)(=O)C[*:1] Cn1nc(Br)c2c(ncnc21)NC[*:1]
Cn1nc(Br)c2c(NCCS(N)(=O)=O)ncnc21 NS(=O)(=O)[*:1] Cn1nc(Br)c2c(ncnc21)NCC[*:1]
Cn1nc(Br)c2c(NCCS(N)(=O)=O)ncnc21 NS(=O)(=O)CC[*:1] Cn1nc(Br)c2c(ncnc21)N[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)(c1cccs1)c1cccs1 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)NCC(O)(c1cccs1)c1cccs1
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)(c1cccs1)c1cccs1 Clc1ccc(cc1)O[*:1] CC(C)(C(=O)NCC(O)(c1cccs1)c1cccs1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)(c1cccs1)c1cccs1 c1csc(c1)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(O)(c1cccs1)[*:1]
CCC[C@H](O)c1cc(F)cc(Br)c1 CCC[*:1] O[C@H](c1cc(F)cc(Br)c1)[*:1]
C[NH2+][C@H](C)c1ccnc(Sc2ccc(NC(C)=O)cc2)c1 CC(=O)N[*:1] C[NH2+][C@H](C)c1ccnc(c1)Sc1ccc(cc1)[*:1]
CC(C)SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl CC(C)SC[*:1] O=C(Nc1cc(Cl)c(Cl)cc1Cl)[*:1]
CC(C)SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl CC(C)[*:1] O=C(CS[*:1])Nc1cc(Cl)c(Cl)cc1Cl
CC(C)SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl CC(C)S[*:1] O=C(C[*:1])Nc1cc(Cl)c(Cl)cc1Cl
CC[C@H](C(=O)N1CCC(NC(=O)c2ccon2)CC1)c1ccccc1 O=C(N[*:1])c1ccon1 CC[C@H](C(=O)N1CCC(CC1)[*:1])c1ccccc1
CC[C@H](C(=O)N1CCC(NC(=O)c2ccon2)CC1)c1ccccc1 c1cc(no1)[*:1] CC[C@H](C(=O)N1CCC(CC1)NC(=O)[*:1])c1ccccc1
CC[C@H](C(=O)N1CCC(NC(=O)c2ccon2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCC(CC1)NC(=O)c1ccon1)[*:1]
O=C(NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Br)s1 O=[N+]([O-])c1ccccc1[*:1] O=C(NCC(=O)N1CCN(CC1)[*:1])c1ccc(Br)s1
O=C(NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Br)s1 O=[N+]([O-])[*:1] O=C(NCC(=O)N1CCN(CC1)c1ccccc1[*:1])c1ccc(Br)s1
O=C(NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
O=C(NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Br)s1 O=C(N[*:1])c1ccc(Br)s1 O=C(C[*:1])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)CSc2ccc(F)cc21 O=[N+]([O-])[*:1] O=C1/C(=C/c2ccc(O)c(c2)[*:1])CSc2ccc(F)cc21
Cc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1C Cc1ccc(cc1C)[*:1] O=C(NCCc1c[nH]c2ccc(Cl)cc12)C(=O)N[*:1]
CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 COc1ccccc1[*:1] CC[C@@H](O[*:1])C(=O)N1CCC[C@H](C1)c1cc(C(F)F)n2ncnc2n1
CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 FC(F)[*:1] CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC[C@H](C1)c1cc(n2ncnc2n1)[*:1]
CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 COc1ccccc1O[*:1] CC[C@@H](C(=O)N1CCC[C@H](C1)c1cc(C(F)F)n2ncnc2n1)[*:1]
O=C(Nc1cccc(CNC(=O)[C@@H]2COc3ccccc3O2)c1)C1CC1 C1CC1[*:1] O=C(NCc1cccc(c1)NC(=O)[*:1])[C@@H]1COc2ccccc2O1
O=C(Nc1cccc(CNC(=O)[C@@H]2COc3ccccc3O2)c1)C1CC1 O=C(N[*:1])C1CC1 O=C(NCc1cccc(c1)[*:1])[C@@H]1COc2ccccc2O1
COCCc1nc(C)c([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)s1 COCC[*:1] Cc1nc(sc1[C@@H](C)[NH2+]C1CCN(CC1)c1cccs1)[*:1]
COCCc1nc(C)c([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)s1 c1csc(c1)[*:1] COCCc1nc(C)c(s1)[C@@H](C)[NH2+]C1CCN(CC1)[*:1]
COCCc1nc(C)c([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)s1 COC[*:1] Cc1nc(C[*:1])sc1[C@@H](C)[NH2+]C1CCN(CC1)c1cccs1
Cc1cc([C@@](C)(O)CNC(=O)CCC(=O)c2ccc(F)c(F)c2)c(C)o1 Fc1ccc(cc1F)[*:1] Cc1cc(c(C)o1)[C@@](C)(O)CNC(=O)CCC(=O)[*:1]
Cc1cc([C@@](C)(O)CNC(=O)CCC(=O)c2ccc(F)c(F)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@](O)(CNC(=O)CCC(=O)c1ccc(F)c(F)c1)[*:1]
O=C(NC[C@@H]1CCCO1)c1ccc(F)cc1Cl C1CO[C@@H](C1)[*:1] O=C(NC[*:1])c1ccc(F)cc1Cl
CC[C@@H](C)Nc1ncnc(Nc2ccccc2C(=O)OC)c1N CC[C@@H](C)N[*:1] COC(=O)c1ccccc1Nc1ncnc(c1N)[*:1]
CC[C@@H](C)Nc1ncnc(Nc2ccccc2C(=O)OC)c1N COC(=O)[*:1] CC[C@@H](C)Nc1ncnc(Nc2ccccc2[*:1])c1N
CC[C@@H](C)Nc1ncnc(Nc2ccccc2C(=O)OC)c1N CC[C@@H](C)[*:1] COC(=O)c1ccccc1Nc1ncnc(N[*:1])c1N
Cc1nn(C)c2ncc(NC(=O)[C@H](C)CCc3cccc(F)c3)cc12 Fc1cccc(c1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)[C@H](C)CC[*:1]
Cc1nn(C)c2ncc(NC(=O)[C@H](C)CCc3cccc(F)c3)cc12 Fc1cccc(c1)C[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)[C@H](C)C[*:1]
Cc1ccc(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CC[NH2+]CC2)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(cc1C)-n1ncc(C(=O)N[*:1])c1C1CC[NH2+]CC1
Cc1ccc(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CC[NH2+]CC2)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(cc1C)NC(=O)c1cnn(c1C1CC[NH2+]CC1)[*:1]
C[C@@H](SC(F)(F)F)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 FC(F)(F)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(C(N)=O)c(Cl)c1
C[C@@H](SC(F)(F)F)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 NC(=O)[*:1] C[C@@H](SC(F)(F)F)C(=O)Nc1ccc(c(Cl)c1)[*:1]
C[C@@H](SC(F)(F)F)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 FC(F)(F)S[*:1] C[C@@H](C(=O)Nc1ccc(C(N)=O)c(Cl)c1)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 c1ccc(cc1)C[*:1] CN(C)C(=O)[C@H](NS(=O)(=O)c1ccccc1)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](C[*:1])NS(=O)(=O)c1ccccc1
CN(C)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 CN(C)C(=O)[*:1] O=S(=O)(N[C@@H](Cc1ccccc1)[*:1])c1ccccc1
CCCCCC(=O)N[C@H](C)c1ccccc1N CCCCC[*:1] C[C@@H](NC(=O)[*:1])c1ccccc1N
CCCCCC(=O)N[C@H](C)c1ccccc1N CCCC[*:1] C[C@@H](NC(=O)C[*:1])c1ccccc1N
CCCCCC(=O)N[C@H](C)c1ccccc1N CCC[*:1] C[C@@H](NC(=O)CC[*:1])c1ccccc1N
CN(C)C(=O)CN(C)C(=O)CSc1ccc(F)cc1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)CSc1ccc(F)cc1
CN(C)C(=O)CN(C)C(=O)CSc1ccc(F)cc1 CN(C)C(=O)C[*:1] CN(C(=O)CSc1ccc(F)cc1)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@@H]1[*:1]
Cc1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2[O-])c1 Cc1cccc(c1)N[*:1] [O-]c1c(ccc2cccnc12)[C@H](c1ccncc1)[*:1]
Cc1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2[O-])c1 Cc1cccc(c1)[*:1] [O-]c1c(ccc2cccnc12)[C@@H](N[*:1])c1ccncc1
Cc1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2[O-])c1 c1cc(ccn1)[*:1] Cc1cccc(c1)N[C@@H](c1ccc2cccnc2c1[O-])[*:1]
CC[NH+](CC)C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 NC(=O)[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C(=O)c1cn(C[*:1])nn1
CC[NH+](CC)C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 NC(=O)C[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C(=O)c1cn(nn1)[*:1]
CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(cc1)[*:1]
CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(-n2cncn2)cc1 CCC[*:1] O=C1c2ccc(Cl)cc2N[C@@H](c2ccc(cc2)-n2cncn2)N1[*:1]
CCc1cc(=O)[nH]c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc12 FC(F)(F)[*:1] CCc1cc(=O)[nH]c2cc(ccc12)NC(=O)c1cccc(c1)[*:1]
C#CCNC(=O)CN(Cc1ccc(C)o1)c1ccc(F)cc1 Cc1ccc(o1)[*:1] C#CCNC(=O)CN(C[*:1])c1ccc(F)cc1
C#CCNC(=O)CN(Cc1ccc(C)o1)c1ccc(F)cc1 C#CCNC(=O)C[*:1] Cc1ccc(CN(c2ccc(F)cc2)[*:1])o1
C#CCNC(=O)CN(Cc1ccc(C)o1)c1ccc(F)cc1 C#CCNC(=O)[*:1] Cc1ccc(CN(C[*:1])c2ccc(F)cc2)o1
C#CCNC(=O)CN(Cc1ccc(C)o1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C#CCNC(=O)CN(Cc1ccc(C)o1)[*:1]
C#CCNC(=O)CN(Cc1ccc(C)o1)c1ccc(F)cc1 Cc1ccc(C[*:1])o1 C#CCNC(=O)CN(c1ccc(F)cc1)[*:1]
C#CCNC(=O)CN(Cc1ccc(C)o1)c1ccc(F)cc1 C#CC[*:1] Cc1ccc(CN(CC(=O)N[*:1])c2ccc(F)cc2)o1
Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCOC3=O)CC2)s1 O=C1OCC[C@H]1[*:1] Cc1ccc(s1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCOC3=O)CC2)s1 Cc1ccc(s1)[*:1] O=C1OCC[C@H]1N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CN1CCN(C(=O)c2ccncc2)CC1)N1CCCCCCC1 c1cc(ccn1)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])N1CCCCCCC1
CCO[C@H]1C[C@H]1C(=O)Nc1ccccc1-n1ncc2c(=O)[nH]cnc21 CCO[*:1] O=C(Nc1ccccc1-n1ncc2c(=O)[nH]cnc21)[C@@H]1C[C@@H]1[*:1]
Cn1c(=O)c2c(nc(N3CCCCC3)n2C[C@@H](O)CO)n(C)c1=O C1CCN(CC1)[*:1] Cn1c(=O)c2c(nc(n2C[C@@H](O)CO)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCCCC3)n2C[C@@H](O)CO)n(C)c1=O OC[C@H](O)C[*:1] Cn1c(=O)c2c(nc(N3CCCCC3)n2[*:1])n(C)c1=O
N#Cc1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] N#Cc1ccccc1NC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
N#Cc1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 N#Cc1ccccc1[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1
N#Cc1ccc(N(C(=O)c2cc(=O)c3ccccc3o2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)c1cc(=O)c2ccccc2o1)[*:1]
N#Cc1ccc(N(C(=O)c2cc(=O)c3ccccc3o2)C2CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(c1cc(=O)c2ccccc2o1)N(C1CC1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccnn1C1CCCC1 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)Nc1ccnn1C1CCCC1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccnn1C1CCCC1 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)Nc1ccnn1C1CCCC1
CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccnn1C1CCCC1 C1CCC(C1)[*:1] CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccnn1[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccnn1C1CCCC1 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)Nc1ccnn1C1CCCC1)C[*:1]
C=C(Cl)C[S@](=O)Cc1csc(-c2ccccc2OC)n1 C=C(Cl)C[*:1] COc1ccccc1-c1nc(cs1)C[S@@](=O)[*:1]
C=C(Cl)C[S@](=O)Cc1csc(-c2ccccc2OC)n1 C=C(Cl)[*:1] COc1ccccc1-c1nc(cs1)C[S@@](=O)C[*:1]
CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC(C)NC(=O)C(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 CC(C)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)C(=O)c1ccc(Cl)cc1
C[C@H](C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)c1ccccc1F C1CC1[*:1] C[C@H](C(=O)Nc1ccc2c(c1)nc(n2C)[*:1])c1ccccc1F
C[C@H](C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)c1ccccc1F Fc1ccccc1[*:1] C[C@H](C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)[*:1]
CNC(=O)COc1ccc(OC(=O)/C=C/c2ccc3ccccc3n2)cc1 CNC(=O)C[*:1] O=C(/C=C/c1ccc2ccccc2n1)Oc1ccc(cc1)O[*:1]
CNC(=O)COc1ccc(OC(=O)/C=C/c2ccc3ccccc3n2)cc1 CNC(=O)CO[*:1] O=C(/C=C/c1ccc2ccccc2n1)Oc1ccc(cc1)[*:1]
CNC(=O)COc1ccc(OC(=O)/C=C/c2ccc3ccccc3n2)cc1 CNC(=O)[*:1] O=C(/C=C/c1ccc2ccccc2n1)Oc1ccc(cc1)OC[*:1]
COc1ccc(NC(=O)CSCc2noc(C(C)(C)C)n2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)NC(=O)CSCc1noc(n1)[*:1]
Cn1ncnc1NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] Cn1ncnc1NC(=O)N[C@@H](Cc1ccc(Cl)cc1)[*:1]
Cn1ncnc1NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)C[*:1] Cn1ncnc1NC(=O)N[C@@H](c1ccccc1)[*:1]
Cn1ncnc1NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] Cn1ncnc1NC(=O)N[C@@H](C[*:1])c1ccccc1
Cn1ncnc1NC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 Cn1ncnc1[*:1] O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)N[*:1]
COc1ccc([C@@H](NC(=O)N2CCO[C@H](c3ccccc3)C2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N1CCO[C@@H](C1)c1ccccc1)[*:1]
COc1ccc([C@@H](NC(=O)N2CCO[C@H](c3ccccc3)C2)C(C)C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N1CCO[C@H](C1)[*:1])C(C)C
COc1ccc([C@@H](NC(=O)N2CCO[C@H](c3ccccc3)C2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)N1CCO[C@@H](C1)c1ccccc1)[*:1]
CCCCC[C@H](C)NC(=O)C1CCN(C2=NC=NC3=NC=N[C@@H]32)CC1 CCCCC[*:1] C[C@H](NC(=O)C1CCN(CC1)C1=NC=NC2=NC=N[C@@H]21)[*:1]
CCCCC[C@H](C)NC(=O)C1CCN(C2=NC=NC3=NC=N[C@@H]32)CC1 CCC[*:1] C[C@@H](CC[*:1])NC(=O)C1CCN(CC1)C1=NC=NC2=NC=N[C@@H]21
CCCCC[C@H](C)NC(=O)C1CCN(C2=NC=NC3=NC=N[C@@H]32)CC1 CCCC[*:1] C[C@@H](C[*:1])NC(=O)C1CCN(CC1)C1=NC=NC2=NC=N[C@@H]21
CCCCC[C@H](C)NC(=O)C1CCN(C2=NC=NC3=NC=N[C@@H]32)CC1 CCCCC[C@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)C1=NC=NC2=NC=N[C@@H]21
COCCN(Cc1cnn(C)c1)C(=O)[C@@H]1CC[NH2+]C1 COCC[*:1] Cn1cc(cn1)CN(C(=O)[C@@H]1CC[NH2+]C1)[*:1]
COCCN(Cc1cnn(C)c1)C(=O)[C@@H]1CC[NH2+]C1 Cn1cc(cn1)[*:1] COCCN(C[*:1])C(=O)[C@@H]1CC[NH2+]C1
COCCN(Cc1cnn(C)c1)C(=O)[C@@H]1CC[NH2+]C1 COC[*:1] Cn1cc(cn1)CN(C[*:1])C(=O)[C@@H]1CC[NH2+]C1
Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)o1 O=C([O-])C[*:1] Cc1ccc(o1)C(=O)N[C@@H](c1cccs1)[*:1]
Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)o1 c1csc(c1)[*:1] Cc1ccc(o1)C(=O)N[C@@H](CC(=O)[O-])[*:1]
Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)o1 O=C([O-])[*:1] Cc1ccc(o1)C(=O)N[C@@H](C[*:1])c1cccs1
Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)o1 Cc1ccc(o1)[*:1] O=C([O-])C[C@H](NC(=O)[*:1])c1cccs1
C[C@@](O)(CNC(=O)c1ccc(Br)o1)c1ccc2c(c1)OCO2 Brc1ccc(o1)[*:1] C[C@@](O)(CNC(=O)[*:1])c1ccc2OCOc2c1
O=C(Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cn1 FC(F)(F)O[*:1] O=C(Cc1ccc(cc1)[*:1])c1ccc(F)cn1
O=C(Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] O=C(Cc1ccc(cc1)OC(F)(F)F)[*:1]
O=C(Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cn1 FC(F)(F)[*:1] O=C(Cc1ccc(cc1)O[*:1])c1ccc(F)cn1
Cc1cc([C@@H](C)NC(=O)C(=O)Nc2cccc(F)c2C)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1c(F)cccc1NC(=O)C(=O)N[C@H](C)[*:1]
c1cc(-c2noc(CSC[C@H]3CCCO3)n2)cs1 C1CO[C@H](C1)C[*:1] c1cc(cs1)-c1noc(CS[*:1])n1
c1cc(-c2noc(CSC[C@H]3CCCO3)n2)cs1 C1CO[C@H](C1)[*:1] c1cc(cs1)-c1noc(CSC[*:1])n1
c1cc(-c2noc(CSC[C@H]3CCCO3)n2)cs1 c1cc(cs1)[*:1] C1CO[C@H](C1)CSCc1nc(no1)[*:1]
COc1ccc(NC(=O)[C@@H](C)SCc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)[C@@H](C)SC[*:1]
O=C(/N=c1\ccccn1Cc1ccccc1)c1cc(=O)[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(/N=c1\ccccn1C[*:1])c1cc(=O)[nH]c2ccccc12
O=C(/N=c1\ccccn1Cc1ccccc1)c1cc(=O)[nH]c2ccccc12 c1ccc(cc1)C[*:1] O=C(/N=c1\ccccn1[*:1])c1cc(=O)[nH]c2ccccc12
CC(C)Cc1cc(C(=O)N2CC[C@H](O)C2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)N1CC[C@H](O)C1)C[*:1]
CC(C)Cc1cc(C(=O)N2CC[C@H](O)C2)n(C)n1 CC(C)C[*:1] Cn1nc(cc1C(=O)N1CC[C@H](O)C1)[*:1]
COc1cccc2cc(/C=C/c3cc(C(=O)[O-])ncn3)oc12 O=C([O-])[*:1] COc1cccc2cc(/C=C/c3cc(ncn3)[*:1])oc12
Cc1cc(Br)cnc1NCC[NH+](C)C1CCCC1 C1CCC(C1)[*:1] Cc1cc(Br)cnc1NCC[NH+](C)[*:1]
COc1cccc(NCC2(CC(C)C)CCCC2)n1 CC(C)[*:1] COc1cccc(n1)NCC1(CCCC1)C[*:1]
COc1cccc(NCC2(CC(C)C)CCCC2)n1 CC(C)C[*:1] COc1cccc(n1)NCC1(CCCC1)[*:1]
CCc1ccccc1Nc1nc(N)nc(CSCc2noc(C)n2)n1 CCc1ccccc1[*:1] Cc1nc(CSCc2nc(N)nc(n2)N[*:1])no1
CCc1ccccc1Nc1nc(N)nc(CSCc2noc(C)n2)n1 Cc1nc(C[*:1])no1 CCc1ccccc1Nc1nc(N)nc(CS[*:1])n1
CCc1ccccc1Nc1nc(N)nc(CSCc2noc(C)n2)n1 Cc1nc(CS[*:1])no1 CCc1ccccc1Nc1nc(N)nc(C[*:1])n1
CCc1ccccc1Nc1nc(N)nc(CSCc2noc(C)n2)n1 Cc1nc(no1)[*:1] CCc1ccccc1Nc1nc(N)nc(CSC[*:1])n1
COc1cccc(Nc2snc(C)c2C(C)=O)c1 CC(=O)[*:1] COc1cccc(c1)Nc1snc(C)c1[*:1]
COc1cc(F)cc(CNC(=O)c2[nH]c(C)c(C(C)=O)c2C(C)C)c1 CC(=O)[*:1] COc1cc(F)cc(c1)CNC(=O)c1[nH]c(C)c(c1C(C)C)[*:1]
COc1cc(F)cc(CNC(=O)c2[nH]c(C)c(C(C)=O)c2C(C)C)c1 CC(C)[*:1] COc1cc(F)cc(c1)CNC(=O)c1[nH]c(C)c(C(C)=O)c1[*:1]
CC(C)(C#N)c1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 O=C(N[*:1])C1CC1 CC(C)(C#N)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CC(C)(C#N)c1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 CC(C)(C#N)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)NC(=O)C1CC1
CC(C)(C#N)c1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 C1CC1[*:1] CC(C)(C#N)c1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(S(=O)(=O)N(C)C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)C(=O)c1cc(C(C)C)n(n1)[*:1]
COc1ccc(S(=O)(=O)N(C)C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)C(=O)c1cc(n(n1)C(C)(C)C)[*:1]
COc1ccc(S(=O)(=O)N(C)C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1 COc1ccc(cc1)[*:1] CC(C)c1cc(nn1C(C)(C)C)C(=O)N(C)S(=O)(=O)[*:1]
O=C1N=C(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)N=C2S[C@H]3CCCCCC3=C12 c1coc(c1)[*:1] O=C1N=C(CCC(=O)N2CCN(CC2)C(=O)[*:1])N=C2S[C@H]3CCCCCC3=C12
CNC(=O)c1cccc(NC(=O)NC2CC[NH+](CCN(C)C)CC2)c1C CN(C)[*:1] CNC(=O)c1cccc(NC(=O)NC2CC[NH+](CC2)CC[*:1])c1C
CNC(=O)c1cccc(NC(=O)NC2CC[NH+](CCN(C)C)CC2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)NC1CC[NH+](CC1)CCN(C)C
CNC(=O)c1cccc(NC(=O)NC2CC[NH+](CCN(C)C)CC2)c1C CN(C)C[*:1] CNC(=O)c1cccc(NC(=O)NC2CC[NH+](CC2)C[*:1])c1C
O=C1N/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccccc1 FC(F)(F)[*:1] O=C1N/C(=C\c2ccc(cc2)[*:1])C(=O)N1c1ccccc1
O=C1N/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1N/C(=C\c2ccc(cc2)C(F)(F)F)C(=O)N1[*:1]
Cc1c(C(=O)NCCCN2CCOCC2)oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc12 C1CN(CCO1)C[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)NCC[*:1]
Cc1c(C(=O)NCCCN2CCOCC2)oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc12 C1CN(CCO1)[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)NCCC[*:1]
Cc1c(C(=O)NCCCN2CCOCC2)oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc12 C(CN1CCOCC1)C[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)N[*:1]
Cc1c(C(=O)NCCCN2CCOCC2)oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc12 C1CN(CCO1)CC[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)NC[*:1]
CC1=NN(c2ccc(C(=O)OCC(=O)Nc3cccc(C)c3)cc2)CC1 Cc1cccc(c1)[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)OCC(=O)N[*:1]
CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 c1coc(c1)[*:1] CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@@H](C(=O)NC(N)=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 Clc1ccccc1[*:1] C[C@@H](C(=O)NC(N)=O)N1CC[NH+](CC1)Cc1ccc(s1)[*:1]
C[C@@H](C(=O)NC(N)=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 C[C@@H](C(=O)NC(N)=O)[*:1] Clc1ccccc1-c1ccc(C[NH+]2CCN(CC2)[*:1])s1
C[C@@H](C(=O)NC(N)=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 NC(=O)NC(=O)[*:1] C[C@@H](N1CC[NH+](CC1)Cc1ccc(s1)-c1ccccc1Cl)[*:1]
C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCc2cc(F)ccc2C1 O=[N+]([O-])[*:1] C[C@@H](C(=O)Nc1cc(ccc1Cl)[*:1])N1CCc2cc(F)ccc2C1
CNc1cccc(CSC[C@H](C)CO)n1 C[C@H](CO)C[*:1] CNc1cccc(CS[*:1])n1
CNc1cccc(CSC[C@H](C)CO)n1 C[C@H](CO)[*:1] CNc1cccc(CSC[*:1])n1
NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 NC(=O)C[*:1] O=C(Nc1ccccc1[*:1])C(=O)N[C@@H]1CCC[C@H](C1)C(F)(F)F
NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 NC(=O)[*:1] O=C(Nc1ccccc1C[*:1])C(=O)N[C@@H]1CCC[C@H](C1)C(F)(F)F
Cc1ccc([C@@](C)(O)CNC(=O)C2=Cc3ccccc3OC2)o1 Cc1ccc(o1)[*:1] C[C@@](O)(CNC(=O)C1=Cc2ccccc2OC1)[*:1]
CCOC(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc4ccccc34)c(C)c21 c1ccc2c(cccc2c1)[*:1] CCOC(=O)N/N=C1\CCCc2oc(C(=O)N[*:1])c(C)c21
CC(C)CC[NH+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 CC(C)[*:1] C[NH+](CC[*:1])CC(=O)Nc1cc(Cl)ccc1-n1cncn1
CC(C)CC[NH+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 c1ncn(n1)[*:1] CC(C)CC[NH+](C)CC(=O)Nc1cc(Cl)ccc1[*:1]
CC(C)CC[NH+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 CC(C)C[*:1] C[NH+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[*:1]
CC(C)CC[NH+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 CC(C)CC[*:1] C[NH+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[*:1]
COc1ccc([C@@H](NS(=O)(=O)c2c(C)noc2C)C(C)C)cc1 Cc1noc(C)c1[*:1] COc1ccc(cc1)[C@@H](NS(=O)(=O)[*:1])C(C)C
COc1ccc([C@@H](NS(=O)(=O)c2c(C)noc2C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NS(=O)(=O)c1c(C)noc1C)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CN(C(=O)COc2ccccc2F)C1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)C1CN(C1)C(=O)COc1ccccc1F)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CN(C(=O)COc2ccccc2F)C1 Fc1ccccc1O[*:1] Cc1cc(ccc1NC(=O)C1CN(C1)C(=O)C[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CN(C(=O)COc2ccccc2F)C1 Fc1ccccc1OC[*:1] Cc1cc(ccc1NC(=O)C1CN(C1)C(=O)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CN(C(=O)COc2ccccc2F)C1 Fc1ccccc1[*:1] Cc1cc(ccc1NC(=O)C1CN(C1)C(=O)CO[*:1])[N+](=O)[O-]
CC(C)Oc1ncccc1CNC(=O)NNC(=O)c1ccccc1Cl CC(C)O[*:1] O=C(NCc1cccnc1[*:1])NNC(=O)c1ccccc1Cl
CC(C)Oc1ncccc1CNC(=O)NNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)Oc1ncccc1CNC(=O)NNC(=O)[*:1]
CC(C)Oc1ncccc1CNC(=O)NNC(=O)c1ccccc1Cl CC(C)[*:1] O=C(NCc1cccnc1O[*:1])NNC(=O)c1ccccc1Cl
O=C(Nc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 Clc1cccc(c1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N[*:1]
O=C(Nc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Nc1cccc(Cl)c1)Nc1cccc(c1)[*:1]
COc1ccc(S(=O)(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CNS(=O)(=O)[*:1])c(C)c1
CC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)(C)c1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
CC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 FC(F)(F)C[*:1] CC(C)(C)c1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1[*:1]
CC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 CC(C)(C)[*:1] O=C1c2ccccc2N[C@H](c2ccc(cc2)[*:1])N1CC(F)(F)F
S=C1SCCN1CN1CCC[C@@H]1c1cccc(Cl)c1 S=C1SCCN1[*:1] Clc1cccc(c1)[C@H]1CCCN1C[*:1]
COc1cccc(N2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1 COc1cccc(c1)[*:1] O=C(C1CCN(CC1)c1ccccc1[N+](=O)[O-])N1CCN(CC1)[*:1]
COc1cccc(N2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1 O=[N+]([O-])c1ccccc1[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)C1CCN(CC1)[*:1]
COc1cccc(N2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccccc1[*:1]
CCc1cccc(OCCOc2ccccc2C(N)=O)c1 NC(=O)[*:1] CCc1cccc(c1)OCCOc1ccccc1[*:1]
CCCc1nc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c(C#N)c2c1CCC2 O=C(C[*:1])N1CCOCC1 CCCc1nc(c(C#N)c2CCCc12)N1CC[NH+](CC1)[*:1]
CCCc1nc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c(C#N)c2c1CCC2 O=C(N1CCOCC1)[*:1] CCCc1nc(c(C#N)c2CCCc12)N1CC[NH+](CC1)C[*:1]
CCCc1nc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c(C#N)c2c1CCC2 CCC[*:1] N#Cc1c(nc(c2CCCc12)[*:1])N1CC[NH+](CC1)CC(=O)N1CCOCC1
C[C@H](CNC(=O)NCCc1cccs1)Nc1ccccc1 c1csc(c1)CC[*:1] C[C@H](CNC(=O)N[*:1])Nc1ccccc1
C[C@H](CNC(=O)NCCc1cccs1)Nc1ccccc1 c1csc(c1)C[*:1] C[C@H](CNC(=O)NC[*:1])Nc1ccccc1
C[C@H](CNC(=O)NCCc1cccs1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)NCCc1cccs1)N[*:1]
C[C@H](CNC(=O)NCCc1cccs1)Nc1ccccc1 c1csc(c1)[*:1] C[C@H](CNC(=O)NCC[*:1])Nc1ccccc1
C[C@H](CNC(=O)NCCc1cccs1)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@H](CNC(=O)NCCc1cccs1)[*:1]
CCCn1c(C)nnc1S[C@@H](C(=O)N1CCCC[C@H]1C)C(C)C CC(C)[*:1] CCCn1c(C)nnc1S[C@@H](C(=O)N1CCCC[C@H]1C)[*:1]
CCCn1c(C)nnc1S[C@@H](C(=O)N1CCCC[C@H]1C)C(C)C CCC[*:1] Cc1nnc(S[C@@H](C(=O)N2CCCC[C@H]2C)C(C)C)n1[*:1]
OCC[NH+]1CCN(C(=S)NCc2ccco2)CC1 c1coc(c1)C[*:1] OCC[NH+]1CCN(CC1)C(=S)N[*:1]
OCC[NH+]1CCN(C(=S)NCc2ccco2)CC1 c1coc(c1)[*:1] OCC[NH+]1CCN(CC1)C(=S)NC[*:1]
OCC[NH+]1CCN(C(=S)NCc2ccco2)CC1 OCC[*:1] S=C(NCc1ccco1)N1CC[NH+](CC1)[*:1]
CCO/C([O-])=C1/C(c2ccc([N+](=O)[O-])cc2)=NC(=S)N[C@@H]1c1ccc(OC)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CCO/C([O-])=C1/C(=NC(=S)N[C@@H]1c1ccc(cc1)OC)[*:1]
CCO/C([O-])=C1/C(c2ccc([N+](=O)[O-])cc2)=NC(=S)N[C@@H]1c1ccc(OC)cc1 CCO[*:1] COc1ccc(cc1)[C@H]1NC(=S)N=C(C1=C([O-])[*:1])c1ccc(cc1)[N+](=O)[O-]
CCO/C([O-])=C1/C(c2ccc([N+](=O)[O-])cc2)=NC(=S)N[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCO/C([O-])=C1/C(=NC(=S)N[C@H]1[*:1])c1ccc(cc1)[N+](=O)[O-]
CCO/C([O-])=C1/C(c2ccc([N+](=O)[O-])cc2)=NC(=S)N[C@@H]1c1ccc(OC)cc1 O=[N+]([O-])[*:1] CCO/C([O-])=C1/C(=NC(=S)N[C@@H]1c1ccc(cc1)OC)c1ccc(cc1)[*:1]
COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3Cl)S2)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)[C@H]1Nn2c(nnc2[*:1])S1
CC(C)S[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O CC(C)S[*:1] OC[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)[*:1]
CC(C)S[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O CC(C)[*:1] OC[C@H]1O[C@H](S[*:1])[C@@H](O)[C@H](O)[C@H]1O
COC(=O)[C@]1(F)CCN(C(=O)c2csc(-c3ccc(C)o3)n2)C1 COC(=O)[*:1] Cc1ccc(o1)-c1nc(cs1)C(=O)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2csc(-c3ccc(C)o3)n2)C1 Cc1ccc(o1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1csc(n1)[*:1]
CCC[C@H](C)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C CCC[*:1] C[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[*:1]
CCC[C@H](C)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C CCC[C@H](C)[*:1] Cn1c(=O)c2cc(cnc2n(C)c1=O)C(=O)N[*:1]
O=C([O-])[C@@H]1CS[C@]2(C(=O)[O-])CCC(=O)N12 O=C([O-])[*:1] O=C([O-])[C@@H]1CS[C@@]2(CCC(=O)N12)[*:1]
O=C([O-])[C@@H]1CS[C@]2(C(=O)[O-])CCC(=O)N12 O=C([O-])[*:1] O=C1CC[C@]2(SC[C@H](N12)[*:1])C(=O)[O-]
CCCC[C@@H](NC(N)=O)C(=O)NC(C)(C)c1nc(C)c(C)s1 NC(=O)N[*:1] CCCC[C@@H](C(=O)NC(C)(C)c1nc(C)c(C)s1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)NC(C)(C)c1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] CCCC[C@@H](NC(N)=O)C(=O)NC(C)(C)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)NC(C)(C)c1nc(C)c(C)s1 CCC[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)[C@@H](C[*:1])NC(N)=O
CCCC[C@@H](NC(N)=O)C(=O)NC(C)(C)c1nc(C)c(C)s1 CCCC[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)[C@H](NC(N)=O)[*:1]
C[C@@H]1C[C@@]([NH2+]Cc2cccs2)(C(=O)[O-])CS1 O=C([O-])[*:1] C[C@@H]1C[C@](CS1)([NH2+]Cc1cccs1)[*:1]
C[C@@H]1C[C@@]([NH2+]Cc2cccs2)(C(=O)[O-])CS1 c1csc(c1)[*:1] C[C@@H]1C[C@@](CS1)([NH2+]C[*:1])C(=O)[O-]
Cc1occc1-c1nnc(Sc2ccc(C#N)cn2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])Sc1ccc(C#N)cn1
C#CCNC(=O)COc1ccc(NC(=O)C(C)C)cc1 C#CCNC(=O)[*:1] CC(C)C(=O)Nc1ccc(cc1)OC[*:1]
C#CCNC(=O)COc1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] C#CCNC(=O)COc1ccc(cc1)NC(=O)[*:1]
C#CCNC(=O)COc1ccc(NC(=O)C(C)C)cc1 C#CC[*:1] CC(C)C(=O)Nc1ccc(cc1)OCC(=O)N[*:1]
C#CCNC(=O)COc1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] C#CCNC(=O)COc1ccc(cc1)[*:1]
CCC[C@@H](O)c1ccn(Cc2ccc(F)cc2F)c1 CCC[C@@H](O)[*:1] Fc1ccc(Cn2ccc(c2)[*:1])c(F)c1
CCC[C@@H](O)c1ccn(Cc2ccc(F)cc2F)c1 CCC[*:1] O[C@@H](c1ccn(c1)Cc1ccc(F)cc1F)[*:1]
Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(NC(=O)C(C)(C)C)c3)c12 CC(C)(C)[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3cccc(c3)NC(=O)[*:1])c12)C(C)C
Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(NC(=O)C(C)(C)C)c3)c12 CC(C)[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3cccc(c3)NC(=O)C(C)(C)C)c12)[*:1]
Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(NC(=O)C(C)(C)C)c3)c12 CC(C)(C)C(=O)N[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3cccc(c3)[*:1])c12)C(C)C
CC(C)NC(=O)N1CCN(C(=O)c2ccco2)CC1 CC(C)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1ccco1
CC(C)NC(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CC(C)NC(=O)N1CCN(CC1)C(=O)[*:1]
Nc1nc(C(F)(F)F)cc(=O)n1N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Nc1nc(cc(=O)n1N(S(=O)(=O)c1ccccc1)S(=O)(=O)[*:1])C(F)(F)F
Nc1nc(C(F)(F)F)cc(=O)n1N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 FC(F)(F)[*:1] Nc1nc(cc(=O)n1N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)[*:1]
Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)N[C@@H](C)c4cccs4)C3)nc2)n1 Cc1noc(n1)[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)c1ccc(cn1)[*:1])c1cccs1
Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)N[C@@H](C)c4cccs4)C3)nc2)n1 c1csc(c1)[*:1] Cc1noc(n1)-c1ccc(nc1)N1CCC[C@H](C1)C(=O)N[C@@H](C)[*:1]
Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)N[C@@H](C)c4cccs4)C3)nc2)n1 C[C@@H](c1cccs1)[*:1] Cc1noc(n1)-c1ccc(nc1)N1CCC[C@H](C1)C(=O)N[*:1]
CCN(CC)C(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)c(C#N)c1C CCN(CC)C(=O)[*:1] Cc1c(sc(NC(=O)COc2ccc(Cl)cc2Cl)c1C#N)[*:1]
CCN(CC)C(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)c(C#N)c1C Clc1ccc(O[*:1])c(Cl)c1 CCN(CC)C(=O)c1sc(NC(=O)C[*:1])c(C#N)c1C
CCN(CC)C(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)c(C#N)c1C Clc1ccc(c(Cl)c1)[*:1] CCN(CC)C(=O)c1sc(NC(=O)CO[*:1])c(C#N)c1C
O=[N+]([O-])c1ccc(CN[C@@H](Cc2ccccn2)C2CC2)cc1 O=[N+]([O-])[*:1] c1ccc(C[C@H](NCc2ccc(cc2)[*:1])C2CC2)nc1
O=[N+]([O-])c1ccc(CN[C@@H](Cc2ccccn2)C2CC2)cc1 c1ccc(C[*:1])nc1 O=[N+]([O-])c1ccc(cc1)CN[C@@H](C1CC1)[*:1]
O=[N+]([O-])c1ccc(CN[C@@H](Cc2ccccn2)C2CC2)cc1 c1ccc(nc1)[*:1] O=[N+]([O-])c1ccc(cc1)CN[C@@H](C[*:1])C1CC1
O=[N+]([O-])c1ccc(CN[C@@H](Cc2ccccn2)C2CC2)cc1 C1CC1[*:1] O=[N+]([O-])c1ccc(cc1)CN[C@@H](Cc1ccccn1)[*:1]
Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c(n1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccc5nonc45)C3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)S(=O)(=O)c1cccc2nonc12)N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccc5nonc45)C3)CC2)cc1 CC(=O)[*:1] O=C([C@H]1CCCN(C1)S(=O)(=O)c1cccc2nonc12)N1CCN(CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccc5nonc45)C3)CC2)cc1 c1cc(c2nonc2c1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
N#Cc1ccccc1OCC(=O)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] N#Cc1ccccc1OCC(=O)NCC[*:1]
N#Cc1ccccc1OCC(=O)NCCCN1CCOCC1 C1CN(CCO1)[*:1] N#Cc1ccccc1OCC(=O)NCCC[*:1]
N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H](c1ccccc1)N1CCCCC1=O
N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1 O=C1CCCCN1[*:1] N#Cc1ccc(cc1)NC(=O)[C@@H](c1ccccc1)[*:1]
N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)[C@@H](N1CCCCC1=O)[*:1]
CC(C)(CNC(=O)NCCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 CS(=O)(=O)[*:1] CC(C)(CNC(=O)NCC[*:1])c1ccc(Cl)c(Cl)c1
CC(C)(CNC(=O)NCCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 CS(=O)(=O)C[*:1] CC(C)(CNC(=O)NC[*:1])c1ccc(Cl)c(Cl)c1
CC(C)(CNC(=O)NCCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 CS(=O)(=O)CC[*:1] CC(C)(CNC(=O)N[*:1])c1ccc(Cl)c(Cl)c1
CC(C)(C)c1n[nH]c(C(=O)Nc2sccc2C#N)n1 CC(C)(C)[*:1] N#Cc1ccsc1NC(=O)c1nc(n[nH]1)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)C[NH2+]C CCC[*:1] C[NH2+]C[C@@H](C)C(=O)N[C@H](C)[*:1]
CCOC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 FC(F)(F)O[*:1] CCOC1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1[*:1]
CCOC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 CCO[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCC(CC1)[*:1]
CCOC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 FC(F)(F)[*:1] CCOC1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1O[*:1]
Cc1nc([C@@H](Cc2ccsc2)NCc2ccc(F)cc2)sc1C Cc1nc(sc1C)[*:1] Fc1ccc(cc1)CN[C@H](Cc1ccsc1)[*:1]
Cc1nc([C@@H](Cc2ccsc2)NCc2ccc(F)cc2)sc1C c1cc(cs1)C[*:1] Cc1nc(sc1C)[C@@H](NCc1ccc(F)cc1)[*:1]
Cc1nc([C@@H](Cc2ccsc2)NCc2ccc(F)cc2)sc1C c1cc(cs1)[*:1] Cc1nc(sc1C)[C@@H](C[*:1])NCc1ccc(F)cc1
Cc1nc([C@@H](Cc2ccsc2)NCc2ccc(F)cc2)sc1C Fc1ccc(cc1)[*:1] Cc1nc(sc1C)[C@@H](Cc1ccsc1)NC[*:1]
CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1nc(C)cs1 CSCC[*:1] Cc1csc(n1)NC(=O)[C@@H](NC(=O)c1ccco1)[*:1]
CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1nc(C)cs1 c1coc(c1)[*:1] CSCC[C@H](NC(=O)[*:1])C(=O)Nc1nc(C)cs1
CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1nc(C)cs1 CSC[*:1] Cc1csc(n1)NC(=O)[C@H](C[*:1])NC(=O)c1ccco1
CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1nc(C)cs1 Cc1csc(n1)[*:1] CSCC[C@H](NC(=O)c1ccco1)C(=O)N[*:1]
NC(=O)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 NC(=O)CC[*:1] O=C(NC[*:1])[C@@H]1C[C@H]1c1cccc(Br)c1
NC(=O)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 NC(=O)CCC[*:1] O=C(N[*:1])[C@@H]1C[C@H]1c1cccc(Br)c1
NC(=O)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 NC(=O)C[*:1] O=C(NCC[*:1])[C@@H]1C[C@H]1c1cccc(Br)c1
NC(=O)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 NC(=O)[*:1] O=C(NCCC[*:1])[C@@H]1C[C@H]1c1cccc(Br)c1
Cc1cc(NC(=O)NCCOc2ccc(Cl)cc2)no1 Cc1cc(no1)[*:1] O=C(NCCOc1ccc(Cl)cc1)N[*:1]
CC1(C)C[C@@H]1C(=O)NNc1cc(C#N)cc(Cl)n1 CC1(C)C[C@H]1[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)[*:1]
Cc1cccc(OCc2nnc(SCc3nc(-c4ccco4)no3)o2)c1 Cc1cccc(c1)O[*:1] c1coc(c1)-c1noc(CSc2nnc(C[*:1])o2)n1
Cc1cccc(OCc2nnc(SCc3nc(-c4ccco4)no3)o2)c1 c1coc(c1)[*:1] Cc1cccc(c1)OCc1nnc(o1)SCc1nc(no1)[*:1]
Cc1cccc(OCc2nnc(SCc3nc(-c4ccco4)no3)o2)c1 Cc1cccc(c1)[*:1] c1coc(c1)-c1noc(CSc2nnc(CO[*:1])o2)n1
C[C@H](Nc1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] C[C@H](Nc1ncnc(c1[*:1])N(CC#N)CC#N)c1ccccc1
C[C@H](Nc1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-])c1ccccc1 N#CCN(CC#N)[*:1] C[C@H](Nc1ncnc(c1[N+](=O)[O-])[*:1])c1ccccc1
C[C@H](Nc1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-])c1ccccc1 C[C@H](c1ccccc1)[*:1] N#CCN(CC#N)c1ncnc(N[*:1])c1[N+](=O)[O-]
C[C@H](Nc1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-])c1ccccc1 N#CC[*:1] C[C@H](Nc1ncnc(c1[N+](=O)[O-])N(CC#N)[*:1])c1ccccc1
C[C@H](Nc1ncnc(N(CC#N)CC#N)c1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ncnc(c1[N+](=O)[O-])N(CC#N)CC#N)[*:1]
COC(=O)C1=C(C)C(C(=O)[C@H](C)Nc2ccccc2OC)=N[C@H]1C COc1ccccc1[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)[C@H](C)N[*:1]
COC(=O)C1=C(C)C(C(=O)[C@H](C)Nc2ccccc2OC)=N[C@H]1C COC(=O)[*:1] COc1ccccc1N[C@@H](C)C(=O)C1=N[C@@H](C)C(=C1C)[*:1]
CCCOc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1 CCC[*:1] CN1C(=O)C[C@H](C(=O)NCc2ccc(cc2)O[*:1])[C@H]1c1cccnc1
CCCOc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1 CCCO[*:1] CN1C(=O)C[C@H](C(=O)NCc2ccc(cc2)[*:1])[C@H]1c1cccnc1
CCCOc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1 c1cncc(c1)[*:1] CCCOc1ccc(cc1)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1[*:1]
Cc1nc2ccccc2nc1COc1ccccc1C(=O)NN NNC(=O)[*:1] Cc1nc2ccccc2nc1COc1ccccc1[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OC(C)C)cc1 CCCC[*:1] CC(C)Oc1ccc(cc1)NC(=O)[C@@H]1CSCN1C(=O)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OC(C)C)cc1 CC(C)O[*:1] CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OC(C)C)cc1 CCC[*:1] CC(C)Oc1ccc(cc1)NC(=O)[C@@H]1CSCN1C(=O)C[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OC(C)C)cc1 CC(C)[*:1] CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(cc1)O[*:1]
Cn1cc(N2CC[C@@H](NC(=O)c3[nH]nc(C4CC4)c3Cl)C2=O)cn1 Cn1cc(cn1)[*:1] O=C(N[C@@H]1CCN(C1=O)[*:1])c1[nH]nc(c1Cl)C1CC1
Cn1cc(N2CC[C@@H](NC(=O)c3[nH]nc(C4CC4)c3Cl)C2=O)cn1 C1CC1[*:1] Cn1cc(cn1)N1CC[C@@H](NC(=O)c2[nH]nc(c2Cl)[*:1])C1=O
CCN(CC)C(=O)N[C@H](C)CCCC(C)C CC(C)[*:1] CCN(CC)C(=O)N[C@H](C)CCC[*:1]
CCN(CC)C(=O)N[C@H](C)CCCC(C)C CC(C)CC[*:1] CCN(CC)C(=O)N[C@H](C)C[*:1]
CCN(CC)C(=O)N[C@H](C)CCCC(C)C CC(C)C[*:1] CCN(CC)C(=O)N[C@H](C)CC[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C CC(C)[*:1] CC(C)[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)[*:1])c1nc2ccccc2[nH]1
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C CC(C)[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C c1ccc2[nH]c(nc2c1)[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C(C)C)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C O=C(N[*:1])c1ccccc1 CC(C)[C@H](NC(=O)[C@@H](C(C)C)[*:1])c1nc2ccccc2[nH]1
CCCNC(=O)c1cccn2c(=O)c(NC(=O)CC(C)C)cnc12 CC(C)CC(=O)N[*:1] CCCNC(=O)c1cccn2c(=O)c(cnc12)[*:1]
CCCNC(=O)c1cccn2c(=O)c(NC(=O)CC(C)C)cnc12 CC(C)[*:1] CCCNC(=O)c1cccn2c(=O)c(cnc12)NC(=O)C[*:1]
CCCNC(=O)c1cccn2c(=O)c(NC(=O)CC(C)C)cnc12 CCCNC(=O)[*:1] CC(C)CC(=O)Nc1cnc2c(cccn2c1=O)[*:1]
CCCNC(=O)c1cccn2c(=O)c(NC(=O)CC(C)C)cnc12 CCC[*:1] CC(C)CC(=O)Nc1cnc2c(cccn2c1=O)C(=O)N[*:1]
CCCNC(=O)c1cccn2c(=O)c(NC(=O)CC(C)C)cnc12 CC(C)C[*:1] CCCNC(=O)c1cccn2c(=O)c(cnc12)NC(=O)[*:1]
Cc1csc([C@H](C)NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccccc1)[*:1]
Cc1csc([C@H](C)NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCCCC(=O)N1CCN(C2CCCCC2)CC1 CCC[*:1] O=C(C[*:1])N1CCN(CC1)C1CCCCC1
CCCCC(=O)N1CCN(C2CCCCC2)CC1 CCCC[*:1] O=C(N1CCN(CC1)C1CCCCC1)[*:1]
CCCCC(=O)N1CCN(C2CCCCC2)CC1 C1CCC(CC1)[*:1] CCCCC(=O)N1CCN(CC1)[*:1]
Cc1cc2c(cc1NC(=O)c1ccco1)n(C)c(=O)n2C c1coc(c1)[*:1] Cc1cc2c(cc1NC(=O)[*:1])n(C)c(=O)n2C
Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)s1 Cc1ccc(s1)[*:1] O=C(NCc1nc2ccccc2[nH]1)[*:1]
CC/C(=C/C(=O)N(C)C[C@H](C)C(=O)NC)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCC(=CC(=O)N(C)C[C@H](C)C(=O)NC)[*:1]
CC/C(=C/C(=O)N(C)C[C@H](C)C(=O)NC)c1ccc(C)cc1 CNC(=O)[C@@H](C)[*:1] CC/C(=C/C(=O)N(C)C[*:1])c1ccc(C)cc1
CC/C(=C/C(=O)N(C)C[C@H](C)C(=O)NC)c1ccc(C)cc1 CNC(=O)[*:1] CC/C(=C/C(=O)N(C)C[C@H](C)[*:1])c1ccc(C)cc1
CCc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 CCc1ccc(cc1)[*:1] O=C(CO[*:1])N/N=C/c1ccc(cc1)[N+](=O)[O-]
CCc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)OCC(=O)N/N=C/c1ccc(cc1)[*:1]
Cc1ccc([C@@H](CBr)CCC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] Cc1ccc(cc1)[C@@H](CBr)CC[*:1]
Cc1ccc([C@@H](CBr)CCC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1)[C@@H](CBr)CCC[*:1]
COc1ccc(CNC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(CNC(=O)N2C[C@H](C)O[C@@H](C)C2)c(c1)[*:1]
COc1cc(/C=N/n2cn[nH]c2=S)ccc1OCCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(/C=N/n2cn[nH]c2=S)ccc1OC[*:1]
COc1cc(/C=N/n2cn[nH]c2=S)ccc1OCCc1ccccc1 c1ccc(cc1)CC[*:1] COc1cc(/C=N/n2cn[nH]c2=S)ccc1O[*:1]
COc1cc(/C=N/n2cn[nH]c2=S)ccc1OCCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(/C=N/n2cn[nH]c2=S)ccc1OCC[*:1]
CC(C)[C@H](C#N)OC(=O)c1cccc(NC(=O)N(C)C)c1 CC(C)[*:1] CN(C)C(=O)Nc1cccc(c1)C(=O)O[C@@H](C#N)[*:1]
CC(C)[C@H](C#N)OC(=O)c1cccc(NC(=O)N(C)C)c1 CN(C)C(=O)N[*:1] CC(C)[C@H](C#N)OC(=O)c1cccc(c1)[*:1]
Cc1ccsc1[C@@H](C)NCc1c(F)cccc1OC(F)F Cc1ccsc1[*:1] C[C@@H](NCc1c(F)cccc1OC(F)F)[*:1]
Cc1ccsc1[C@@H](C)NCc1c(F)cccc1OC(F)F FC(F)O[*:1] Cc1ccsc1[C@@H](C)NCc1c(F)cccc1[*:1]
Cc1ccsc1[C@@H](C)NCc1c(F)cccc1OC(F)F FC(F)[*:1] Cc1ccsc1[C@@H](C)NCc1c(F)cccc1O[*:1]
CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCc1ccc(cc1)[*:1]
CNC(=O)NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)CSc1nc2[nH]ncc2c(=O)n1[*:1]
CNC(=O)NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 CNC(=O)NC(=O)C[*:1] O=c1c2cn[nH]c2nc(S[*:1])n1-c1ccccc1
CNC(=O)NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 CNC(=O)NC(=O)[*:1] O=c1c2cn[nH]c2nc(SC[*:1])n1-c1ccccc1
COCC[NH2+]C[C@H](c1ccccc1)C1CC1 COCC[*:1] c1ccc(cc1)[C@@H](C[NH2+][*:1])C1CC1
COCC[NH2+]C[C@H](c1ccccc1)C1CC1 C1CC1[*:1] COCC[NH2+]C[C@H](c1ccccc1)[*:1]
COCC[NH2+]C[C@H](c1ccccc1)C1CC1 COC[*:1] c1ccc(cc1)[C@@H](C[NH2+]C[*:1])C1CC1
CN(Cc1[nH+]ccn1C)C(=O)CCCC1CCCC1 C1CCC(C1)[*:1] CN(Cc1[nH+]ccn1C)C(=O)CCC[*:1]
CN(Cc1[nH+]ccn1C)C(=O)CCCC1CCCC1 C1CCC(C1)C[*:1] CN(Cc1[nH+]ccn1C)C(=O)CC[*:1]
CCC(=O)N(C)c1ccccc1C(=O)NCc1c(CC)nn(C)c1OC CCC(=O)N(C)[*:1] CCc1nn(C)c(OC)c1CNC(=O)c1ccccc1[*:1]
CCn1cc[nH+]c1CN1CCN(C[C@@H](O)c2ccco2)CC1 O[C@@H](c1ccco1)[*:1] CCn1cc[nH+]c1CN1CCN(CC1)C[*:1]
CCn1cc[nH+]c1CN1CCN(C[C@@H](O)c2ccco2)CC1 c1coc(c1)[*:1] CCn1cc[nH+]c1CN1CCN(CC1)C[C@@H](O)[*:1]
COc1ccccc1NC(=O)CNc1ccc(-n2nc(C)cc2C)c(F)c1 Cc1cc(C)n(n1)[*:1] COc1ccccc1NC(=O)CNc1ccc(c(F)c1)[*:1]
COc1ccccc1NC(=O)CNc1ccc(-n2nc(C)cc2C)c(F)c1 COc1ccccc1[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)NCC(=O)N[*:1]
O=C([O-])c1cc(-c2cccc(Cl)c2)ccc1Cl O=C([O-])[*:1] Clc1cccc(c1)-c1ccc(Cl)c(c1)[*:1]
CCCC1(C[NH2+][C@@H](C)c2cnc(C)nc2C)CCC1 CCC[*:1] Cc1ncc(c(C)n1)[C@H](C)[NH2+]CC1(CCC1)[*:1]
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)cc(Br)c1 CC(C)(C)[*:1] C[C@H](NC(=O)O[*:1])C(=O)Nc1cc(F)cc(Br)c1
COc1cccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CCc1nc(no1)[*:1]
COc1cccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1 COc1cccc(c1)[*:1] O=C(CCc1nc(no1)-c1ccc(F)cc1)N[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C[C@@H]3OC(=O)c4ccccc43)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(C[C@@H]1OC(=O)c2ccccc21)OCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)C[S@](=O)C3)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1nc2C[S@@](=O)Cc2c1NC(=O)c1ccc(cc1)O[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)C[S@](=O)C3)cc1 CC(C)O[*:1] Cc1ccc(cc1)-n1nc2C[S@@](=O)Cc2c1NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)C[S@](=O)C3)cc1 Cc1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1c2C[S@](=O)Cc2nn1[*:1]
CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 CCc1noc(C)c1[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@H]1CCCN1C(=O)[*:1]
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2ccccc2cc1OC CN(C)S(=O)(=O)[*:1] COc1ccc(cc1NC(=O)c1cc2ccccc2cc1OC)[*:1]
C[C@@H](NC(=O)CSc1nc2ccccc2n1C)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)CSc1nc2ccccc2n1C)[*:1]
C[C@@H](NC(=O)CSc1nc2ccccc2n1C)c1ccco1 C[C@@H](c1ccco1)[*:1] Cn1c(nc2ccccc21)SCC(=O)N[*:1]
COc1ccc2c(c1)N(Cc1cccc(Cl)n1)C[C@@H](C)O2 Clc1cccc(n1)[*:1] COc1ccc2O[C@H](C)CN(C[*:1])c2c1
COC(=O)[C@@H](C)Oc1ccc(CNc2cc(F)cc(F)c2)cc1 COC(=O)[*:1] C[C@@H](Oc1ccc(cc1)CNc1cc(F)cc(F)c1)[*:1]
COC(=O)[C@@H](C)Oc1ccc(CNc2cc(F)cc(F)c2)cc1 COC(=O)[C@@H](C)[*:1] Fc1cc(F)cc(c1)NCc1ccc(cc1)O[*:1]
COC(=O)[C@@H](C)Oc1ccc(CNc2cc(F)cc(F)c2)cc1 COC(=O)[C@@H](C)O[*:1] Fc1cc(F)cc(c1)NCc1ccc(cc1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(N2CCCCC2=O)cc1 O=C1CCCCN1[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(N2CCCCC2=O)cc1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)c1ccc(cc1)N1CCCCC1=O)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)NCC1(O)CCSCC1 OC1(CCSCC1)[*:1] CC[C@H](Cc1ccc(C)cc1)NC(=O)NC[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)NCC1(O)CCSCC1 Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)NCC1(O)CCSCC1
CCOc1ccccc1CNC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 CCOc1ccccc1C[*:1] O=C(N[*:1])C1CCN(CC1)c1nn2cc(nc2s1)-c1ccc(F)cc1
CCOc1ccccc1CNC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 Fc1ccc(cc1)[*:1] CCOc1ccccc1CNC(=O)C1CCN(CC1)c1nn2cc(nc2s1)[*:1]
CCOc1ccccc1CNC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 CCOc1ccccc1[*:1] O=C(NC[*:1])C1CCN(CC1)c1nn2cc(nc2s1)-c1ccc(F)cc1
CCOc1ccccc1CNC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 CCO[*:1] O=C(NCc1ccccc1[*:1])C1CCN(CC1)c1nn2cc(nc2s1)-c1ccc(F)cc1
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=S)N(Cc2ccccc2)CC(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(NC(=S)N(Cc2ccccc2)C[*:1])c(C)c1
Cc1ccc(NC(=S)N(Cc2ccccc2)CC(C)C)c(C)c1 CC(C)C[*:1] Cc1ccc(NC(=S)N(Cc2ccccc2)[*:1])c(C)c1
Cc1ccc(NC(=S)N(Cc2ccccc2)CC(C)C)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=S)N(CC(C)C)[*:1])c(C)c1
Cc1ccc(NC(=S)N(Cc2ccccc2)CC(C)C)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=S)N(CC(C)C)C[*:1])c(C)c1
C[C@@H](C[C@@H]1CCCO1)[NH2+]CCC[C@@H]1CCCC[C@@H]1O C1CO[C@@H](C1)[*:1] C[C@@H](C[*:1])[NH2+]CCC[C@@H]1CCCC[C@@H]1O
C[C@@H](C[C@@H]1CCCO1)[NH2+]CCC[C@@H]1CCCC[C@@H]1O C1CO[C@@H](C1)C[*:1] C[C@@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)[*:1]
Cn1cc([C@H]2SCC(O)=Nc3ncn(-c4ccc(F)cc4)c32)cn1 Fc1ccc(cc1)[*:1] Cn1cc(cn1)[C@H]1SCC(O)=Nc2ncn(c21)[*:1]
Cn1cc([C@H]2SCC(O)=Nc3ncn(-c4ccc(F)cc4)c32)cn1 Cn1cc(cn1)[*:1] OC1CS[C@@H](c2c(N=1)ncn2-c1ccc(F)cc1)[*:1]
COC(=O)C[C@@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CC1 COC(=O)C[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)N[C@@H](C1CC1)[*:1]
COC(=O)C[C@@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CC1 COC(=O)[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)N[C@H](C[*:1])C1CC1
COC(=O)C[C@@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)Nc1cccc(c1)-c1[nH+]ccn1C)[*:1]
C/[NH+]=C(/NCc1ccc(C)s1)NCc1nnc2n1CCCCC2 Cc1ccc(s1)[*:1] C/[NH+]=C(\NCc1nnc2CCCCCn21)NC[*:1]
C/[NH+]=C(/NCc1ccc(C)s1)NCc1nnc2n1CCCCC2 Cc1ccc(C[*:1])s1 C/[NH+]=C(\NCc1nnc2CCCCCn21)N[*:1]
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCCc2cccc(C)c21 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1C(=O)N1CCCc2cccc(C)c21)[*:1]
CCN(CC#N)C(=O)c1cnn(-c2ccncc2)c1C N#CC[*:1] CCN(C(=O)c1cnn(-c2ccncc2)c1C)[*:1]
CCN(CC#N)C(=O)c1cnn(-c2ccncc2)c1C c1cc(ccn1)[*:1] CCN(CC#N)C(=O)c1cnn(c1C)[*:1]
Cc1cc(C)c2c(c1)OCC[C@H]2[NH2+]CC/N=C(\O)c1ncccc1O Oc1cccnc1[*:1] Cc1cc(C)c2c(c1)OCC[C@H]2[NH2+]CC/N=C(\O)[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CC[C@H](C)[C@H](O)C2)C1 CC(C)C[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)C[C@@H]1CCCN(C1)C(=O)N[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CC[C@H](C)[C@H](O)C2)C1 CC(C)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)C[C@@H]1CCCN(C1)C(=O)NC[*:1]
NC(=O)C[NH+]1CCC(NC(=O)CCc2cccnc2)CC1 NC(=O)[*:1] O=C(CCc1cccnc1)NC1CC[NH+](CC1)C[*:1]
NC(=O)C[NH+]1CCC(NC(=O)CCc2cccnc2)CC1 c1cncc(c1)C[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)C[*:1]
NC(=O)C[NH+]1CCC(NC(=O)CCc2cccnc2)CC1 NC(=O)C[*:1] O=C(CCc1cccnc1)NC1CC[NH+](CC1)[*:1]
NC(=O)C[NH+]1CCC(NC(=O)CCc2cccnc2)CC1 c1cncc(c1)[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)CC[*:1]
CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c(OC)c2)C1 FC(F)O[*:1] CCOC(=O)N[C@H]1CCCN(C1)C(=O)c1ccc(c(c1)OC)[*:1]
CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c(OC)c2)C1 CCOC(=O)N[*:1] COc1cc(ccc1OC(F)F)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c(OC)c2)C1 FC(F)[*:1] CCOC(=O)N[C@H]1CCCN(C1)C(=O)c1ccc(O[*:1])c(c1)OC
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccccc2)Cc2ccc(Br)cc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N(Cc1ccc(Br)cc1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccccc2)Cc2ccc(Br)cc2)cc1 Brc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N(Cc1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccccc2)Cc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N(Cc1ccccc1)C[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccccc2)Cc2ccc(Br)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N(Cc1ccc(Br)cc1)C[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccccc2)Cc2ccc(Br)cc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])N(Cc1ccccc1)Cc1ccc(Br)cc1)[*:1]
CC[C@H]1C(=O)NC(C)(C)C(=O)N1C[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] CC[C@H]1C(=O)NC(C)(C)C(=O)N1C[*:1]
CN[C@]1(C(=O)OC)CCC[C@@H]1CCn1cc(Cl)c(C)n1 COC(=O)[*:1] CN[C@@]1(CCC[C@@H]1CCn1cc(Cl)c(C)n1)[*:1]
CCc1ccsc1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CCc1ccsc1CNC(=O)N[C@H]1CCCN(C[*:1])C1=O
CCc1ccsc1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O CCc1ccsc1C[*:1] O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[*:1]
CCc1ccsc1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O CCc1ccsc1[*:1] O=C(NC[*:1])N[C@H]1CCCN(Cc2ccccc2)C1=O
CCc1ccsc1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CCc1ccsc1CNC(=O)N[C@H]1CCCN(C1=O)[*:1]
Cc1ccc(OCCCC(=O)NCc2ccco2)c(C)c1 c1coc(c1)[*:1] Cc1ccc(OCCCC(=O)NC[*:1])c(C)c1
Cc1ccc(OCCCC(=O)NCc2ccco2)c(C)c1 c1coc(c1)C[*:1] Cc1ccc(OCCCC(=O)N[*:1])c(C)c1
Cc1cccc(S(=O)(=O)Cc2ncoc2C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)S(=O)(=O)Cc1ncoc1[*:1]
CCN(CC)c1ccc(/C=N/c2ccccc2C(N)=O)cc1 CCN(CC)[*:1] NC(=O)c1ccccc1/N=C/c1ccc(cc1)[*:1]
CCN(CC)c1ccc(/C=N/c2ccccc2C(N)=O)cc1 NC(=O)[*:1] CCN(CC)c1ccc(/C=N/c2ccccc2[*:1])cc1
CC[NH2+][C@H]1CCC[C@@H](Oc2ccc(C(C)C)c(C)c2)C1 CC(C)[*:1] CC[NH2+][C@H]1CCC[C@H](C1)Oc1ccc(c(C)c1)[*:1]
CCC[C@H]1CN(C(=O)[C@H](C)NC(=O)C2CCC2)CCO1 CCC[*:1] C[C@H](NC(=O)C1CCC1)C(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)[C@H](C)NC(=O)C2CCC2)CCO1 C1CC(C1)[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@H](C)NC(=O)[*:1]
CC[C@@H]([NH2+]Cc1ncccc1F)c1cc(C)ccc1OC Fc1cccnc1[*:1] CC[C@@H]([NH2+]C[*:1])c1cc(C)ccc1OC
NC(=O)c1oc2ccccc2c1NC(=O)C12CC3CC(CC(C3)C1)C2 NC(=O)[*:1] O=C(Nc1c(oc2ccccc12)[*:1])C12CC3CC(CC(C3)C1)C2
CCc1cccc(C)c1NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 CCc1cccc(C)c1[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)N[*:1]
CCc1cccc(C)c1NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 CC(C)(C)[*:1] CCc1cccc(C)c1NC(=O)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(C#N)cc2)s1 Cc1ccc(s1)[*:1] N#Cc1ccc(cc1)CNC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(C#N)cc2)s1 N#Cc1ccc(cc1)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@H]1C(=O)NC[*:1]
COc1ccccc1CNC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)c1ccc(F)cc1 COc1ccccc1C[*:1] Cc1ccc2=[NH+][C@H](C(=O)N[*:1])C(NC(=O)c3ccc(F)cc3)=c2c1
COc1ccccc1CNC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 COc1ccccc1CNC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1[*:1]
COc1ccccc1CNC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)c1ccc(F)cc1 COc1ccccc1[*:1] Cc1ccc2=[NH+][C@H](C(=O)NC[*:1])C(NC(=O)c3ccc(F)cc3)=c2c1
COc1ccccc1CNC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccccc1CNC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)[*:1]
CCOC(=O)c1c(NC(=O)Cn2ccc([N+](=O)[O-])n2)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)Cn2ccc(n2)[N+](=O)[O-])c(c1C)[*:1]
CCOC(=O)c1c(NC(=O)Cn2ccc([N+](=O)[O-])n2)sc(C)c1C O=[N+]([O-])c1ccn(n1)[*:1] CCOC(=O)c1c(NC(=O)C[*:1])sc(C)c1C
CCOC(=O)c1c(NC(=O)Cn2ccc([N+](=O)[O-])n2)sc(C)c1C O=[N+]([O-])[*:1] CCOC(=O)c1c(NC(=O)Cn2ccc(n2)[*:1])sc(C)c1C
O=C(NCCNC(=O)C1CCCCC1)c1cnn(C2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NCCNC(=O)[*:1])c1cnn(c1)C1CCCCC1
O=C(NCCNC(=O)C1CCCCC1)c1cnn(C2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NCCNC(=O)C1CCCCC1)c1cnn(c1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N2CC[C@H](C)C[C@H]2C)c1 CC(=O)N(C)[*:1] C[C@H]1CCN(C(=O)Nc2cccc(c2)[*:1])[C@H](C)C1
CC(C)[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(N[C@@H](c1nc2ccccc2[nH]1)[*:1])C1CCN(CC1)c1ccccc1[N+](=O)[O-]
CC(C)[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)[C@@H](NC(=O)C1CCN(CC1)c1ccccc1[N+](=O)[O-])[*:1]
CC(C)[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc2ccccc2[nH]1 O=[N+]([O-])c1ccccc1[*:1] CC(C)[C@@H](NC(=O)C1CCN(CC1)[*:1])c1nc2ccccc2[nH]1
CC(C)[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1nc2ccccc2[nH]1 O=[N+]([O-])[*:1] CC(C)[C@@H](NC(=O)C1CCN(CC1)c1ccccc1[*:1])c1nc2ccccc2[nH]1
NC(=O)Nc1ccc(NC(=O)CCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] NC(=O)Nc1ccc(cc1)NC(=O)CC[*:1]
NC(=O)Nc1ccc(NC(=O)CCc2ccc(F)cc2)cc1 NC(=O)N[*:1] O=C(CCc1ccc(F)cc1)Nc1ccc(cc1)[*:1]
O=C(Cn1nccc1-c1ccncc1)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(Cn1nccc1-c1ccncc1)Nc1cccc(c1)C(=O)N[*:1]
O=C(Cn1nccc1-c1ccncc1)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(Cn1nccc1-c1ccncc1)Nc1cccc(c1)[*:1]
O=C(Cn1nccc1-c1ccncc1)Nc1cccc(C(=O)NC2CC2)c1 c1cc(ccn1)[*:1] O=C(Cn1nccc1[*:1])Nc1cccc(c1)C(=O)NC1CC1
Cc1c(C(=O)Nc2ccc(CNC(N)=O)cc2)cnn1-c1cccc(Cl)c1 NC(=O)N[*:1] Cc1c(cnn1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)C[*:1]
Cc1c(C(=O)Nc2ccc(CNC(N)=O)cc2)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc(cc1)CNC(N)=O
Cc1c(C(=O)Nc2ccc(CNC(N)=O)cc2)cnn1-c1cccc(Cl)c1 NC(=O)NC[*:1] Cc1c(cnn1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
Cc1noc([C@H]2CCCCN2C(=O)NCc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1noc(n1)[C@H]1CCCCN1C(=O)NC[*:1]
Cc1noc([C@H]2CCCCN2C(=O)NCc2ccc(F)cc2)n1 Cc1noc(n1)[*:1] O=C(NCc1ccc(F)cc1)N1CCCC[C@@H]1[*:1]
C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)N3CCC[C@H](C(N)=O)C3)c2C1 c1ccc(cc1)[*:1] C[C@H]1CC(=C[*:1])c2nc3ccccc3c(C(=O)N3CCC[C@@H](C3)C(N)=O)c2C1
C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)N3CCC[C@H](C(N)=O)C3)c2C1 NC(=O)[*:1] C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)N3CCC[C@H](C3)[*:1])c2C1
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2O)C1 Oc1ccccc1[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2O)C1 CC(C)(C)[*:1] O=C(Nc1ccccc1O)[C@@H]1CCCN(C1)C(=O)O[*:1]
COc1ccc(NC(=O)[C@@H](c2ccccc2)C(C)C)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])NC(=O)[C@@H](c1ccccc1)C(C)C
COc1ccc(NC(=O)[C@@H](c2ccccc2)C(C)C)cc1NC(C)=O CC(C)[*:1] COc1ccc(cc1NC(C)=O)NC(=O)[C@@H](c1ccccc1)[*:1]
COc1ccc(NC(=O)[C@@H](c2ccccc2)C(C)C)cc1NC(C)=O c1ccc(cc1)[*:1] COc1ccc(cc1NC(C)=O)NC(=O)[C@@H](C(C)C)[*:1]
O=C(COc1ccccc1)N1CCN(Cc2cnc3ccccn23)CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cnc2ccccn12
O=C(COc1ccccc1)N1CCN(Cc2cnc3ccccn23)CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)Cc1cnc2ccccn12
O=C(COc1ccccc1)N1CCN(Cc2cnc3ccccn23)CC1 c1ccc(cc1)OC[*:1] O=C(N1CCN(CC1)Cc1cnc2ccccn12)[*:1]
CS[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 CC(C)[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)CCn1cc[nH+]c1[*:1]
CCOc1ccccc1N1CC[NH+](CC(=O)NC2CC2)CC1 O=C(C[*:1])NC1CC1 CCOc1ccccc1N1CC[NH+](CC1)[*:1]
CCOc1ccccc1N1CC[NH+](CC(=O)NC2CC2)CC1 CCO[*:1] O=C(C[NH+]1CCN(CC1)c1ccccc1[*:1])NC1CC1
CCOc1ccccc1N1CC[NH+](CC(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] CCOc1ccccc1N1CC[NH+](CC1)C[*:1]
CCOc1ccccc1N1CC[NH+](CC(=O)NC2CC2)CC1 C1CC1[*:1] CCOc1ccccc1N1CC[NH+](CC1)CC(=O)N[*:1]
OCC[NH+](CCO)Cc1csc2ccccc12 OCC[*:1] OCC[NH+](Cc1csc2ccccc12)[*:1]
N#CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 N#CC[*:1] O=c1c2sccc2n(c(=O)n1-c1ccc(Cl)cc1)[*:1]
N#CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 Clc1ccc(cc1)[*:1] N#CCn1c(=O)n(c(=O)c2sccc21)[*:1]
Cn1cc([C@H]2CC(=O)NC(=O)[C@@H]2c2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)[C@H]1CC(=O)NC(=O)[C@H]1[*:1]
Cn1cc([C@H]2CC(=O)NC(=O)[C@@H]2c2ccccc2)cn1 Cn1cc(cn1)[*:1] O=C1C[C@@H]([C@H](C(=O)N1)c1ccccc1)[*:1]
CCOC(=O)N1CCC([NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)[NH2+]C[C@@H](C)c1nc(no1)[*:1]
CC[NH2+]Cc1sc(N2CCC(CC)CC2)nc1C(C)C CC(C)[*:1] CC[NH2+]Cc1sc(nc1[*:1])N1CCC(CC)CC1
CNC(=O)c1cccc(COc2ccc(Cl)cc2C=O)c1 CNC(=O)[*:1] O=Cc1cc(Cl)ccc1OCc1cccc(c1)[*:1]
CN(CC(=O)N1CCOC[C@@H]1C1CC1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CC(=O)N1CCOC[C@@H]1C1CC1)c1ccccc1[*:1]
CN(CC(=O)N1CCOC[C@@H]1C1CC1)c1ccccc1[N+](=O)[O-] C1CC1[*:1] CN(CC(=O)N1CCOC[C@H]1[*:1])c1ccccc1[N+](=O)[O-]
COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 COc1ccccc1[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)OC(F)(F)F)[*:1]
COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(cc1)O[*:1]
COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(cc1)[*:1]
CN(C)c1cc(CNC(=O)N2CCC[C@H]2CO)c2ccccc2[nH+]1 CN(C)[*:1] O=C(NCc1cc([nH+]c2ccccc12)[*:1])N1CCC[C@H]1CO
CC(C)=C[C@H]1[C@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C CC(C)=C[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)[C@H]1[C@@H](C1(C)C)[*:1]
Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)c3ccc(C)c(C)c3)cc2c1 c1csc(c1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)[*:1])c1ccc(C)c(C)c1
Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)c3ccc(C)c(C)c3)cc2c1 Cc1ccc(cc1C)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)c1cccs1)[*:1]
Cc1c(C(=O)[O-])nnn1-c1cccc2c1CC[NH+](C)C2 O=C([O-])[*:1] Cc1c(nnn1-c1cccc2C[NH+](C)CCc21)[*:1]
CC1=NN(c2ccc(C(=O)NCCNc3ncccn3)cc2)CC1 c1cnc(nc1)[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)NCCN[*:1]
CC1=NN(c2ccc(C(=O)NCCNc3ncccn3)cc2)CC1 c1cnc(nc1)N[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)NCC[*:1]
CC1=NN(c2ccc(C(=O)NCCNc3ncccn3)cc2)CC1 c1cnc(nc1)NC[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)NC[*:1]
C[C@H]1CCC2=C3C(=O)N=C(c4ccc([N+](=O)[O-])cc4)N=C3S[C@H]2C1 O=[N+]([O-])[*:1] C[C@H]1CCC2=C3C(=O)N=C(N=C3S[C@H]2C1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)Cn1ccc2ccn(Cc3ccccc3)c2c1=O)C1CC1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)Cn1ccc2ccn(c2c1=O)[*:1])C1CC1
C[C@H](NC(=O)Cn1ccc2ccn(Cc3ccccc3)c2c1=O)C1CC1 C1CC1[*:1] C[C@H](NC(=O)Cn1ccc2ccn(Cc3ccccc3)c2c1=O)[*:1]
C[C@H](NC(=O)Cn1ccc2ccn(Cc3ccccc3)c2c1=O)C1CC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cn1ccc2ccn(C[*:1])c2c1=O)C1CC1
CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccccc2Br)n1N c1ccc(cc1)C[*:1] CC(C)(C)N(C(=O)CSc1nnc(-c2ccccc2Br)n1N)[*:1]
CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccccc2Br)n1N CC(C)(C)[*:1] Nn1c(nnc1-c1ccccc1Br)SCC(=O)N(Cc1ccccc1)[*:1]
CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccccc2Br)n1N c1ccc(cc1)[*:1] CC(C)(C)N(C[*:1])C(=O)CSc1nnc(-c2ccccc2Br)n1N
CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccccc2Br)n1N Brc1ccccc1[*:1] CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(n1N)[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(Cc2cccc(F)c2)c1 Clc1ccc(O[*:1])c(Cl)c1 C[C@H](C(=O)Nc1cnn(c1)Cc1cccc(F)c1)[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(Cc2cccc(F)c2)c1 Clc1ccc(c(Cl)c1)[*:1] C[C@H](O[*:1])C(=O)Nc1cnn(c1)Cc1cccc(F)c1
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(Cc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(c1)C[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(Cc2cccc(F)c2)c1 Fc1cccc(c1)C[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(c1)[*:1]
Cc1ccnc(Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2[N+](=O)[O-])c1 Fc1ccc(cc1Cl)[*:1] Cc1ccnc(c1)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
Cc1ccnc(Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccnc(c1)Nc1ncnc(Nc2ccc(F)c(Cl)c2)c1[*:1]
Cc1ccnc(Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2[N+](=O)[O-])c1 Cc1ccnc(c1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1ccc(F)c(Cl)c1
Cc1ccnc(Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2[N+](=O)[O-])c1 Cc1ccnc(c1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccc(F)c(Cl)c1
C[NH2+]C[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 O=[N+]([O-])[*:1] C[NH2+]C[C@H]1CCCN(C1)c1nc2cc(ccc2[nH]1)[*:1]
CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](NC(C)=O)C2CCCC2)CC1 C1CCC(C1)[*:1] CC[NH+]1CCN(CC1)[C@H](C)CNC(=O)[C@H](NC(C)=O)[*:1]
CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](NC(C)=O)C2CCCC2)CC1 CC(=O)N[*:1] CC[NH+]1CCN(CC1)[C@H](C)CNC(=O)[C@H](C1CCCC1)[*:1]
O=C(CNC(=O)C1CCCCC1)NNC(=O)COc1ccccc1Cl Clc1ccccc1O[*:1] O=C(CNC(=O)C1CCCCC1)NNC(=O)C[*:1]
O=C(CNC(=O)C1CCCCC1)NNC(=O)COc1ccccc1Cl C1CCC(CC1)[*:1] O=C(CNC(=O)[*:1])NNC(=O)COc1ccccc1Cl
O=C(CNC(=O)C1CCCCC1)NNC(=O)COc1ccccc1Cl Clc1ccccc1[*:1] O=C(CNC(=O)C1CCCCC1)NNC(=O)CO[*:1]
CC(C)[C@@H](C)SC[C@@H]1CSc2nnc(-c3cccnc3)n21 c1cncc(c1)[*:1] CC(C)[C@@H](C)SC[C@@H]1CSc2nnc(n21)[*:1]
CC(C)[C@@H](C)SC[C@@H]1CSc2nnc(-c3cccnc3)n21 CC(C)[C@@H](C)[*:1] c1cncc(c1)-c1nnc2SC[C@@H](CS[*:1])n21
CC(C)[C@@H](C)SC[C@@H]1CSc2nnc(-c3cccnc3)n21 CC(C)[*:1] C[C@@H](SC[C@@H]1CSc2nnc(-c3cccnc3)n21)[*:1]
C[C@@H](NC(=O)c1ccc(Cl)o1)c1cccc2ccccc12 Clc1ccc(o1)[*:1] C[C@@H](NC(=O)[*:1])c1cccc2ccccc12
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1nnc(C2CCCCC2)s1 C1CCC(CC1)[*:1] O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1nnc(s1)[*:1]
C[C@@H](c1ccccc1F)N1CCN(c2ncnc3c2cnn3C)CC1 Fc1ccccc1[*:1] C[C@@H](N1CCN(CC1)c1ncnc2c1cnn2C)[*:1]
O=C(NCc1cc2ccccc2[nH]1)C1CCN(c2ccc(Cl)nn2)CC1 Clc1ccc(nn1)[*:1] O=C(NCc1cc2ccccc2[nH]1)C1CCN(CC1)[*:1]
COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(Br)cc1 COC[*:1] Cc1ccc2oc3C(=O)N(CC[*:1])[C@H](c4ccc(Br)cc4)c3c(=O)c2c1
COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1[*:1]
COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(Br)cc1 COCC[*:1] Cc1ccc2oc3C(=O)N(C[*:1])[C@H](c4ccc(Br)cc4)c3c(=O)c2c1
COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(Br)cc1 COCCC[*:1] Cc1ccc2oc3C(=O)N([C@H](c4ccc(Br)cc4)c3c(=O)c2c1)[*:1]
O=C(CCNS(=O)(=O)c1ccccc1Cl)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] O=C(CCNS(=O)(=O)c1ccccc1Cl)N[*:1]
O=C(CCNS(=O)(=O)c1ccccc1Cl)NC1CCCCCCC1 Clc1ccccc1[*:1] O=C(CCNS(=O)(=O)[*:1])NC1CCCCCCC1
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cc(C#N)cs3)cc2C1 N#Cc1csc(c1)[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)NNC(=O)[*:1]
COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1O O=[N+]([O-])[*:1] COc1ccc(/C=N/Nc2ccc(cn2)[*:1])cc1O
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1nc2ccccc2n1C Clc1ccc(cc1Cl)[*:1] C[C@H](O[*:1])C(=O)NCc1nc2ccccc2n1C
N#CCCN(CC1CC1)C(=O)c1nc(C2CC2)n2ccccc12 N#CC[*:1] O=C(c1nc(C2CC2)n2ccccc12)N(CC1CC1)C[*:1]
N#CCCN(CC1CC1)C(=O)c1nc(C2CC2)n2ccccc12 N#CCC[*:1] O=C(c1nc(C2CC2)n2ccccc12)N(CC1CC1)[*:1]
N#CCCN(CC1CC1)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1C[*:1] N#CCCN(C(=O)c1nc(C2CC2)n2ccccc12)[*:1]
N#CCCN(CC1CC1)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] N#CCCN(C[*:1])C(=O)c1nc(C2CC2)n2ccccc12
N#CCCN(CC1CC1)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] N#CCCN(CC1CC1)C(=O)c1nc(n2ccccc12)[*:1]
CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 CCO[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)C[NH+]1CCOCC1
CCc1cc(NC(=O)C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)n(C)n1 Cc1cc(C)cc(c1)[*:1] CCc1cc(NC(=O)C(=O)N2CC=C(CC2)[*:1])n(C)n1
CCc1cc(NC(=O)C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)n(C)n1 CCc1cc(n(C)n1)[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)C(=O)N[*:1]
O=C(Cc1cn2ccsc2n1)NCC1CCC1 C1CC(C1)[*:1] O=C(Cc1cn2ccsc2n1)NC[*:1]
O=C(Cc1cn2ccsc2n1)NCC1CCC1 C1CC(C1)C[*:1] O=C(Cc1cn2ccsc2n1)N[*:1]
Cc1ccc(OCc2nc(C[NH2+][C@H]3CCc4ccccc43)cs2)cc1 Cc1ccc(cc1)[*:1] c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1csc(CO[*:1])n1
Cc1ccc(OCc2nc(C[NH2+][C@H]3CCc4ccccc43)cs2)cc1 Cc1ccc(cc1)O[*:1] c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1csc(C[*:1])n1
Cc1ccc(C(C)C)cc1OS(=O)(=O)c1cccc(C(=O)N(C)C)c1 CC(C)[*:1] Cc1ccc(cc1OS(=O)(=O)c1cccc(c1)C(=O)N(C)C)[*:1]
Cc1ccc(C(C)C)cc1OS(=O)(=O)c1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccc(cc1OS(=O)(=O)c1cccc(c1)[*:1])C(C)C
COc1cn(CC(=O)Nc2cccc(C)c2)c(C[NH+]2CCC(C)CC2)cc1=O Cc1cccc(c1)[*:1] COc1cn(CC(=O)N[*:1])c(cc1=O)C[NH+]1CCC(C)CC1
COC(=O)c1cc(C(C)C)nc2c1c(-c1cccs1)nn2[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] COC(=O)c1cc(nc2c1c(nn2[C@H]1CCS(=O)(=O)C1)-c1cccs1)[*:1]
COC(=O)c1cc(C(C)C)nc2c1c(-c1cccs1)nn2[C@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] COC(=O)c1cc(nc2c1c(nn2[C@H]1CCS(=O)(=O)C1)[*:1])C(C)C
COC(=O)c1cc(C(C)C)nc2c1c(-c1cccs1)nn2[C@H]1CCS(=O)(=O)C1 COC(=O)[*:1] CC(C)c1cc(c2c(nn(c2n1)[C@H]1CCS(=O)(=O)C1)-c1cccs1)[*:1]
C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccc(cc1)[*:1]
C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 c1ccc(cc1)[*:1] C[C@H](CC(C)(C)[*:1])NC(=O)Cc1ccc(cc1)S(N)(=O)=O
C[C@H](NC(=O)N1CCC[C@H](CO)C1)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H](NC(=O)N1CCC[C@H](CO)C1)c1ccc(cc1)O[*:1]
C[C@H](NC(=O)N1CCC[C@H](CO)C1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H](NC(=O)N1CCC[C@H](CO)C1)c1ccc(cc1)[*:1]
CCOC(=O)c1cc(C(=O)N2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 CCOC(=O)[*:1] C[C@@H]1CCCN(C1)C(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CCOC(=O)c1cc(C(=O)N2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)c1cc(cc(c1)[*:1])C(=O)N1CCC[C@@H](C)C1
O=C([O-])CC1(CC(=O)NNc2ccc([N+](=O)[O-])cc2)CCCC1 O=C([O-])[*:1] O=C(CC1(CCCC1)C[*:1])NNc1ccc(cc1)[N+](=O)[O-]
O=C([O-])CC1(CC(=O)NNc2ccc([N+](=O)[O-])cc2)CCCC1 O=C([O-])C[*:1] O=C(CC1(CCCC1)[*:1])NNc1ccc(cc1)[N+](=O)[O-]
O=C([O-])CC1(CC(=O)NNc2ccc([N+](=O)[O-])cc2)CCCC1 O=[N+]([O-])[*:1] O=C([O-])CC1(CCCC1)CC(=O)NNc1ccc(cc1)[*:1]
CCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1 c1ccc(cc1)C[*:1] CCC[C@H](C)[NH2+][C@@H](C(=O)N1CCCCC1)[*:1]
CCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1 CCC[*:1] C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1)[*:1]
CCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1 c1ccc(cc1)[*:1] CCC[C@H](C)[NH2+][C@@H](C[*:1])C(=O)N1CCCCC1
COc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1C Fc1ccc(cc1)[*:1] COc1ccc(cc1C)S(=O)(=O)NCCN1CCN(CC1)[*:1]
COc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1C COc1ccc(cc1C)[*:1] O=S(=O)(NCCN1CCN(CC1)c1ccc(F)cc1)[*:1]
COc1ccc(CNC(=O)CCC(=O)N2CCN(c3nc4cccnc4s3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CCC(=O)N1CCN(CC1)c1nc2cccnc2s1)NC[*:1]
COc1ccc(CNC(=O)CCC(=O)N2CCN(c3nc4cccnc4s3)CC2)cc1 c1cnc2sc(nc2c1)[*:1] COc1ccc(cc1)CNC(=O)CCC(=O)N1CCN(CC1)[*:1]
COc1ccc(CNC(=O)CCC(=O)N2CCN(c3nc4cccnc4s3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(CCC(=O)N1CCN(CC1)c1nc2cccnc2s1)N[*:1]
C[NH+](C)Cc1cc(CNC(=O)[C@]2(C)CC2(Cl)Cl)ccc1F C[C@@]1(CC1(Cl)Cl)[*:1] C[NH+](C)Cc1cc(ccc1F)CNC(=O)[*:1]
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1 c1ccc2[nH]c(nc2c1)[*:1] NC(=O)c1cc(cnc1N1CCN(CC1)C[*:1])[N+](=O)[O-]
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1 O=[N+]([O-])[*:1] NC(=O)c1cc(cnc1N1CCN(CC1)Cc1nc2ccccc2[nH]1)[*:1]
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1 NC(=O)[*:1] O=[N+]([O-])c1cnc(c(c1)[*:1])N1CCN(CC1)Cc1nc2ccccc2[nH]1
COc1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)cc1C c1cnn(c1)[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)cc1C c1cnn(c1)C[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)[*:1]
O=C(c1cccc(Cl)c1Cl)N1CCN(CN2CCOC2=S)CC1 S=C1OCCN1C[*:1] O=C(c1cccc(Cl)c1Cl)N1CCN(CC1)[*:1]
O=C(c1cccc(Cl)c1Cl)N1CCN(CN2CCOC2=S)CC1 S=C1OCCN1[*:1] O=C(c1cccc(Cl)c1Cl)N1CCN(CC1)C[*:1]
COCCCN1C(=O)c2ccc(C(=O)N3CCCCc4ccccc43)cc2C1=O COCC[*:1] O=C1c2ccc(cc2C(=O)N1C[*:1])C(=O)N1CCCCc2ccccc21
COCCCN1C(=O)c2ccc(C(=O)N3CCCCc4ccccc43)cc2C1=O COC[*:1] O=C1c2ccc(cc2C(=O)N1CC[*:1])C(=O)N1CCCCc2ccccc21
COCCCN1C(=O)c2ccc(C(=O)N3CCCCc4ccccc43)cc2C1=O COCCC[*:1] O=C(c1ccc2C(=O)N(C(=O)c2c1)[*:1])N1CCCCc2ccccc21
COC[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)CNc1ccc(C#N)cc1)[*:1]
COC[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(F)c(F)c1 COC[*:1] N#Cc1ccc(cc1)NCC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
COC[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(F)c(F)c1 N#Cc1ccc(cc1)[*:1] COC[C@H](NC(=O)CN[*:1])c1ccc(F)c(F)c1
C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCN(c3ncccn3)CC2)[C@@H]1C c1cnc(nc1)[*:1] C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCN(CC2)[*:1])[C@@H]1C
C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCN(c3ncccn3)CC2)[C@@H]1C C[C@@H]1CCC[C@H]([C@@H]1C)[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)c1ncccn1
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCCc1ccccn1 c1ccc(C[*:1])nc1 CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NC[*:1]
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCC[*:1]
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCCc1ccccn1 CC(C)(C)[*:1] O=C(NCCc1ccccn1)[C@H]1CSCN1C(=O)O[*:1]
O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc(CN2CCOCC2)c1 C1CN(CCO1)C[*:1] O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc(c1)[*:1]
O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc(CN2CCOCC2)c1 C1CN(CCO1)[*:1] O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc(c1)C[*:1]
O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc(CN2CCOCC2)c1 Clc1ccc(c(Cl)c1)[*:1] O=C(C[*:1])Nc1cccc(c1)CN1CCOCC1
CC[C@@H]1CCCCN1c1ncnc(NC2CCCCC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H]1CCCCN1c1ncnc(NC2CCCCC2)c1[*:1]
CC[C@@H]1CCCCN1c1ncnc(NC2CCCCC2)c1[N+](=O)[O-] C1CCC(CC1)[*:1] CC[C@@H]1CCCCN1c1ncnc(N[*:1])c1[N+](=O)[O-]
CC[C@@H]1CCCCN1c1ncnc(NC2CCCCC2)c1[N+](=O)[O-] CC[C@@H]1CCCCN1[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NC1CCCCC1
CC[C@@H]1CCCCN1c1ncnc(NC2CCCCC2)c1[N+](=O)[O-] C1CCC(CC1)N[*:1] CC[C@@H]1CCCCN1c1ncnc(c1[N+](=O)[O-])[*:1]
C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(N)=O C[C@@H](S[*:1])C(N)=O c1ccc(cc1)Nc1nnc(s1)[*:1]
C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(N)=O c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(N[*:1])s1)C(N)=O
C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(N)=O NC(=O)[*:1] C[C@@H](Sc1nnc(Nc2ccccc2)s1)[*:1]
C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(N)=O C[C@@H](C(N)=O)[*:1] c1ccc(cc1)Nc1nnc(S[*:1])s1
CCc1nc(CN/C(=[NH+]/C)N2CC[NH+](CC(C)C)CC2)cs1 CC(C)C[*:1] CCc1nc(cs1)CN/C(=[NH+]/C)N1CC[NH+](CC1)[*:1]
CCc1nc(CN/C(=[NH+]/C)N2CC[NH+](CC(C)C)CC2)cs1 CCc1nc(cs1)[*:1] C/[NH+]=C(/NC[*:1])N1CC[NH+](CC1)CC(C)C
CCc1nc(CN/C(=[NH+]/C)N2CC[NH+](CC(C)C)CC2)cs1 CC(C)[*:1] CCc1nc(cs1)CN/C(=[NH+]/C)N1CC[NH+](CC1)C[*:1]
COC(=O)NC(=O)C[NH+]1CCN(CCO)CC1 OCC[*:1] COC(=O)NC(=O)C[NH+]1CCN(CC1)[*:1]
Cc1ccc2nc([C@H]3CCCN(C(=S)Nc4ccc(Cl)cc4)C3)[nH]c2c1 Clc1ccc(cc1)[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN(C1)C(=S)N[*:1]
C[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] C[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1ccc(cc1)[*:1]
C[C@H](O)C[C@@H]1CCCCCN1C(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](O)C[C@@H]1CCCCCN1C(=O)[*:1]
C[C@H](O)C[C@@H]1CCCCCN1C(=O)C1CCCCC1 C[C@H](O)C[*:1] O=C(C1CCCCC1)N1CCCCC[C@H]1[*:1]
C[C@H](O)C[C@@H]1CCCCCN1C(=O)C1CCCCC1 C[C@H](O)[*:1] O=C(C1CCCCC1)N1CCCCC[C@H]1C[*:1]
Cc1nc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)sc1-c1ccccc1 O=C([O-])[*:1] Cc1nc(NC(=O)[C@@H]2[C@@H]([C@H]3CC[C@@H]2C3)[*:1])sc1-c1ccccc1
Cc1nc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)sc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)sc1[*:1]
O=C(NC[C@H]1COc2ccccc2O1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(NC[C@H]1COc2ccccc2O1)[*:1]
Nc1c(Cl)ncnc1NC[C@H](O)CO OC[C@@H](O)[*:1] Nc1c(Cl)ncnc1NC[*:1]
O=C(NCc1ccccc1Cn1cncn1)c1ccc(=O)[nH]c1 c1ncn(C[*:1])n1 O=C(NCc1ccccc1[*:1])c1ccc(=O)[nH]c1
O=C(NCc1ccccc1Cn1cncn1)c1ccc(=O)[nH]c1 O=c1ccc(c[nH]1)[*:1] O=C(NCc1ccccc1Cn1cncn1)[*:1]
O=C(NCc1ccccc1Cn1cncn1)c1ccc(=O)[nH]c1 c1ncn(n1)[*:1] O=C(NCc1ccccc1C[*:1])c1ccc(=O)[nH]c1
CCOC[C@H]1CCN(C(=O)CCSc2ccccc2F)C1 CCO[*:1] O=C(CCSc1ccccc1F)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)CCSc2ccccc2F)C1 CCOC[*:1] O=C(CCSc1ccccc1F)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)CCSc2ccccc2F)C1 Fc1ccccc1[*:1] CCOC[C@H]1CCN(C1)C(=O)CCS[*:1]
C[C@@H]1CN(C(=O)COC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)C[C@@H](C)O1 Brc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)COC(=O)C1CCN(CC1)C(=O)[*:1]
O=[N+]([O-])c1c(NNc2ccccc2)ncnc1Sc1ccc(Cl)cc1 O=[N+]([O-])[*:1] Clc1ccc(cc1)Sc1ncnc(NNc2ccccc2)c1[*:1]
O=[N+]([O-])c1c(NNc2ccccc2)ncnc1Sc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1S[*:1])NNc1ccccc1
O=[N+]([O-])c1c(NNc2ccccc2)ncnc1Sc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NNc1ccccc1
O=[N+]([O-])c1c(NNc2ccccc2)ncnc1Sc1ccc(Cl)cc1 c1ccc(cc1)NN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Sc1ccc(Cl)cc1
O=[N+]([O-])c1c(NNc2ccccc2)ncnc1Sc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1Sc1ccc(Cl)cc1)NN[*:1]
O=C([O-])[C@@H]1C[C@@H]1c1cccc(F)c1 O=C([O-])[*:1] Fc1cccc(c1)[C@H]1C[C@H]1[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 Cc1noc(C)c1C[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)O[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 Cc1noc(C)c1[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)OC[*:1]
CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cc2ccc(OC)cc2[nH]c1=O CCOC(=O)[*:1] COc1ccc2cc(c(=O)[nH]c2c1)[C@H]1CC(O)=Nc2c1c(C)nn2C[*:1]
CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cc2ccc(OC)cc2[nH]c1=O CCOC(=O)C[*:1] COc1ccc2cc(c(=O)[nH]c2c1)[C@H]1CC(O)=Nc2c1c(C)nn2[*:1]
C[NH2+][C@H]1CCN([C@@H](C)[C@@H]2CCCO2)[C@H](C)[C@@H]1C C1CO[C@@H](C1)[*:1] C[NH2+][C@H]1CCN([C@@H](C)[*:1])[C@H](C)[C@@H]1C
CC(C)(C)c1nc(CN2CCN(C(=O)c3cc(F)ccc3F)CC2)no1 CC(C)(C)[*:1] O=C(c1cc(F)ccc1F)N1CCN(CC1)Cc1noc(n1)[*:1]
CC(C)(C)c1nc(CN2CCN(C(=O)c3cc(F)ccc3F)CC2)no1 Fc1ccc(F)c(c1)[*:1] CC(C)(C)c1nc(CN2CCN(CC2)C(=O)[*:1])no1
N#Cc1ccccc1Oc1ccnc(C(=O)NCc2ccccc2)c1 N#Cc1ccccc1[*:1] O=C(NCc1ccccc1)c1cc(ccn1)O[*:1]
N#Cc1ccccc1Oc1ccnc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] N#Cc1ccccc1Oc1ccnc(c1)C(=O)N[*:1]
N#Cc1ccccc1Oc1ccnc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1ccccc1Oc1ccnc(c1)C(=O)NC[*:1]
Cc1cccc(N2CC[NH+](CCCNc3cnccc3C#N)CC2)c1 Cc1cccc(c1)[*:1] N#Cc1ccncc1NCCC[NH+]1CCN(CC1)[*:1]
Cc1cccc(N2CC[NH+](CCCNc3cnccc3C#N)CC2)c1 N#Cc1ccncc1[*:1] Cc1cccc(c1)N1CC[NH+](CCCN[*:1])CC1
Cc1cnc(-c2cccc(NC(=O)c3c(C)nn4cccnc34)c2)o1 Cc1cnc(o1)[*:1] Cc1nn2cccnc2c1C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C(=O)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)Cc1ccc(F)cc1F
CN[C@@]1(C(N)=O)CCC[C@@H]([NH+](C)C)C1 NC(=O)[*:1] CN[C@]1(CCC[C@H](C1)[NH+](C)C)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 CCO[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)N1CCC[C@@H]1[*:1]
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1 CC(=O)N[*:1] Cc1nc2ccc(cc2s1)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(C)cc1[C@H](O)[C@H](C)OC CO[C@@H](C)[*:1] COc1ccc(C)cc1[C@H](O)[*:1]
Cc1ccccc1C[C@H]1S/C(=N\N=C\c2cccs2)NC1=O Cc1ccccc1[*:1] O=C1N/C(=N/N=C/c2cccs2)S[C@@H]1C[*:1]
Cc1ccccc1C[C@H]1S/C(=N\N=C\c2cccs2)NC1=O c1csc(c1)[*:1] Cc1ccccc1C[C@H]1S/C(=N\N=C[*:1])NC1=O
C[NH+](Cc1cccs1)Cc1nc2c(s1)CCCC2 c1csc(c1)C[*:1] C[NH+](Cc1nc2CCCCc2s1)[*:1]
C[NH+](Cc1cccs1)Cc1nc2c(s1)CCCC2 c1csc(c1)[*:1] C[NH+](Cc1nc2CCCCc2s1)C[*:1]
CCn1nc(C)c(CNC(=O)N[C@H](C)CCSC)c1C CSCC[*:1] CCn1nc(C)c(CNC(=O)N[C@H](C)[*:1])c1C
CCn1nc(C)c(CNC(=O)N[C@H](C)CCSC)c1C CSC[*:1] CCn1nc(C)c(CNC(=O)N[C@H](C)C[*:1])c1C
CCn1nc(C)c(CNC(=O)N[C@H](C)CCSC)c1C CSCC[C@@H](C)[*:1] CCn1nc(C)c(CNC(=O)N[*:1])c1C
CN(CCCOc1ccc(F)cc1)C(=O)c1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] CN(CCCOc1ccc(F)cc1)C(=O)[*:1]
CN(CCCOc1ccc(F)cc1)C(=O)c1cccc[n+]1[O-] Fc1ccc(cc1)[*:1] CN(CCCO[*:1])C(=O)c1cccc[n+]1[O-]
CC[C@@H](COC)NC(=O)c1sc2cccc(C)c2c1Cl CC[C@@H](COC)[*:1] Cc1cccc2sc(C(=O)N[*:1])c(Cl)c12
CC[C@@H](COC)NC(=O)c1sc2cccc(C)c2c1Cl COC[*:1] CC[C@@H](NC(=O)c1sc2cccc(C)c2c1Cl)[*:1]
C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)NCCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 Clc1ccc(cc1)CC[*:1] C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)N[*:1])C(=O)N1Cc1ccccc1
C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)NCCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 Clc1ccc(cc1)C[*:1] C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)NC[*:1])C(=O)N1Cc1ccccc1
C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)NCCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 Clc1ccc(cc1)[*:1] C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)NCC[*:1])C(=O)N1Cc1ccccc1
C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)NCCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)NCCc2ccc(Cl)cc2)C(=O)N1C[*:1]
C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)NCCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)NCCc2ccc(Cl)cc2)C(=O)N1[*:1]
Cc1cccc(C)c1OCC(=O)NCCCn1ccc2ccccc21 Cc1cccc(C)c1[*:1] O=C(CO[*:1])NCCCn1ccc2ccccc21
COC(=O)[C@@H](C)N1CCN(CCOC(C)C)CC1 CC(C)OCC[*:1] COC(=O)[C@@H](C)N1CCN(CC1)[*:1]
COC(=O)[C@@H](C)N1CCN(CCOC(C)C)CC1 COC(=O)[*:1] CC(C)OCCN1CCN(CC1)[C@H](C)[*:1]
COC(=O)[C@@H](C)N1CCN(CCOC(C)C)CC1 CC(C)O[*:1] COC(=O)[C@@H](C)N1CCN(CC1)CC[*:1]
COC(=O)[C@@H](C)N1CCN(CCOC(C)C)CC1 CC(C)OC[*:1] COC(=O)[C@@H](C)N1CCN(CC1)C[*:1]
COC(=O)[C@@H](C)N1CCN(CCOC(C)C)CC1 CC(C)[*:1] COC(=O)[C@@H](C)N1CCN(CCO[*:1])CC1
COC(=O)[C@@H](C)N1CCN(CCOC(C)C)CC1 COC(=O)[C@@H](C)[*:1] CC(C)OCCN1CCN(CC1)[*:1]
COCCCC(=O)N(C)C1CCC2(CC1)OCCO2 COC[*:1] CN(C(=O)CC[*:1])C1CCC2(CC1)OCCO2
COCCCC(=O)N(C)C1CCC2(CC1)OCCO2 COCC[*:1] CN(C(=O)C[*:1])C1CCC2(CC1)OCCO2
COCCCC(=O)N(C)C1CCC2(CC1)OCCO2 COCCC[*:1] CN(C(=O)[*:1])C1CCC2(CC1)OCCO2
COC[C@](C)(NC(=O)c1ccc(=O)n(C)c1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)c1ccc(=O)n(C)c1)[*:1]
COC[C@](C)(NC(=O)c1ccc(=O)n(C)c1)c1ccccc1 COC[*:1] Cn1cc(ccc1=O)C(=O)N[C@@](C)(c1ccccc1)[*:1]
CC[C@H](CO)NC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C CC[C@H](CO)[*:1] Cn1ccnc1[C@@H](NC(=O)N[*:1])c1cccc(F)c1
CC[C@H](CO)NC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C Fc1cccc(c1)[*:1] CC[C@H](CO)NC(=O)N[C@@H](c1nccn1C)[*:1]
CC[C@H](CO)NC(=O)N[C@@H](c1cccc(F)c1)c1nccn1C Cn1ccnc1[*:1] CC[C@H](CO)NC(=O)N[C@@H](c1cccc(F)c1)[*:1]
CCc1cnc(NC(=O)c2ccc(CS(C)(=O)=O)o2)s1 CS(=O)(=O)[*:1] CCc1cnc(NC(=O)c2ccc(C[*:1])o2)s1
CCc1cnc(NC(=O)c2ccc(CS(C)(=O)=O)o2)s1 CS(=O)(=O)C[*:1] CCc1cnc(NC(=O)c2ccc(o2)[*:1])s1
O=C(c1cccc(I)c1)N1CCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(c1cccc(I)c1)N1CCC[C@@H]1[*:1]
N#Cc1ccccc1C(=O)N1C[C@@H](C[NH+]2CCCCCC2)[C@@H](CO)C1 N#Cc1ccccc1[*:1] O=C(N1C[C@@H](C[NH+]2CCCCCC2)[C@@H](CO)C1)[*:1]
O=C1OCC[C@H]1Sc1nc2ccccc2c(=O)n1Cc1ccco1 c1coc(c1)C[*:1] O=C1OCC[C@H]1Sc1nc2ccccc2c(=O)n1[*:1]
O=C1OCC[C@H]1Sc1nc2ccccc2c(=O)n1Cc1ccco1 c1coc(c1)[*:1] O=C1OCC[C@H]1Sc1nc2ccccc2c(=O)n1C[*:1]
NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2n1C(F)F)[*:1]
NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2n1C(F)F)c1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)cc1 FC(F)[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2n1[*:1]
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
C[NH2+][C@@H](C)c1ccc(SC2COC2)c(F)c1 C1OCC1[*:1] C[NH2+][C@@H](C)c1ccc(S[*:1])c(F)c1
C[NH2+][C@@H](C)c1ccc(SC2COC2)c(F)c1 C1OCC1S[*:1] C[NH2+][C@@H](C)c1ccc(c(F)c1)[*:1]
Cc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)o1 O=C1CCCCN1[*:1] Cc1ccc(o1)[C@@H](O)CNC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1cccc(c1)N1CCCCC1=O
COc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)s2)c1 COc1cccc(c1)[*:1] C[C@H](Sc1nnc(N[*:1])s1)C(=O)N[C@@H]1CCCc2ccccc21
COc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)s2)c1 COc1cccc(c1)N[*:1] C[C@H](Sc1nnc(s1)[*:1])C(=O)N[C@@H]1CCCc2ccccc21
COc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)s2)c1 c1ccc2c(c1)CCC[C@H]2[*:1] COc1cccc(c1)Nc1nnc(S[C@@H](C)C(=O)N[*:1])s1
CCc1c(C)sc2c1c1nc(Cc3ccccc3)nn1c(=O)n2CC c1ccc(cc1)[*:1] CCc1c(C)sc2c1c1nc(C[*:1])nn1c(=O)n2CC
CCc1c(C)sc2c1c1nc(Cc3ccccc3)nn1c(=O)n2CC c1ccc(cc1)C[*:1] CCc1c(C)sc2c1c1nc(nn1c(=O)n2CC)[*:1]
C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cncc(F)c1 Clc1ccc(cc1)[*:1] C[C@H](N[C@@H]1CCN(C1=O)[*:1])c1cncc(F)c1
C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cncc(F)c1 Fc1cncc(c1)[*:1] C[C@H](N[C@@H]1CCN(C1=O)c1ccc(Cl)cc1)[*:1]
O=C(Cn1cc(NC(=O)[C@H]2C[C@H]2c2ccco2)cn1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1cc(cn1)NC(=O)[C@H]1C[C@H]1c1ccco1)N[*:1]
O=C(Cn1cc(NC(=O)[C@H]2C[C@H]2c2ccco2)cn1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C(Nc1cnn(c1)C[*:1])[C@H]1C[C@H]1c1ccco1
O=C(Cn1cc(NC(=O)[C@H]2C[C@H]2c2ccco2)cn1)NC1CCCC1 c1coc(c1)[*:1] O=C(Cn1cc(cn1)NC(=O)[C@H]1C[C@@H]1[*:1])NC1CCCC1
CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(CC#N)cc2)C1 CCS[*:1] CN(C(=O)Nc1ccc(cc1)CC#N)[C@@H]1CC[C@H](C1)[*:1]
CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(CC#N)cc2)C1 N#CC[*:1] CCS[C@@H]1CC[C@H](C1)N(C)C(=O)Nc1ccc(cc1)[*:1]
COc1cc(C)c(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1OC C1CCC(CC1)[*:1] COc1cc(C)c(cc1OC)NC(=O)N1CC[NH+](CC1)C[*:1]
COc1cc(C)c(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1OC C1CCC(CC1)C[*:1] COc1cc(C)c(cc1OC)NC(=O)N1CC[NH+](CC1)[*:1]
COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OC[NH+](CC(C)C)C4)cc1OC COc1ccc(cc1OC)[*:1] Cc1oc2c3C[NH+](COc3ccc2c(=O)c1[*:1])CC(C)C
COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OC[NH+](CC(C)C)C4)cc1OC CC(C)[*:1] COc1ccc(cc1OC)-c1c(C)oc2c3C[NH+](COc3ccc2c1=O)C[*:1]
S=C(N/N=C\c1ccc2c(c1)OCO2)NC1CCCCC1 C1CCC(CC1)[*:1] S=C(N/N=C\c1ccc2OCOc2c1)N[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(C)nc2sc3c(c12)CCC3 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)[C@H](C)Sc1nc(C)nc2sc3CCCc3c12)[*:1]
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)c1 CC(C)[*:1] C#CCNS(=O)(=O)c1cccc(c1)C(=O)Nc1nnc(s1)-c1ccc(cc1)[*:1]
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)c1 CC(C)c1ccc(cc1)[*:1] C#CCNS(=O)(=O)c1cccc(c1)C(=O)Nc1nnc(s1)[*:1]
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)c1 C#CC[*:1] CC(C)c1ccc(cc1)-c1nnc(NC(=O)c2cccc(c2)S(=O)(=O)N[*:1])s1
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)c1 C#CCNS(=O)(=O)[*:1] CC(C)c1ccc(cc1)-c1nnc(NC(=O)c2cccc(c2)[*:1])s1
CNC(=O)NCC(=O)N1CCN(c2ncccc2Cl)CC1 Clc1cccnc1[*:1] CNC(=O)NCC(=O)N1CCN(CC1)[*:1]
CNC(=O)NCC(=O)N1CCN(c2ncccc2Cl)CC1 CNC(=O)N[*:1] O=C(C[*:1])N1CCN(CC1)c1ncccc1Cl
CNC(=O)NCC(=O)N1CCN(c2ncccc2Cl)CC1 CNC(=O)NC[*:1] O=C(N1CCN(CC1)c1ncccc1Cl)[*:1]
COc1ccccc1CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 COc1ccccc1C[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@@H]1CCCN1C(=O)[*:1]
COc1ccccc1CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 COc1ccccc1[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@@H]1CCCN1C(=O)C[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)[O-] FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)[O-]
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1cccc(c1)C(F)(F)F)[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1[*:1]
CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)[*:1]
CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1
CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 c1ccc(cc1)C[*:1] CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[*:1]
CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 CC(C)(C)OC(=O)N[*:1] CN(Cc1ccccc1)C(=O)[C@@H](c1ccccc1)[*:1]
CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)O[*:1])c1ccccc1
Cc1ccccc1C1(CNC(=O)N[C@@H](CCO)c2cccs2)CC1 c1csc(c1)[*:1] Cc1ccccc1C1(CC1)CNC(=O)N[C@@H](CCO)[*:1]
Cc1ccccc1C1(CNC(=O)N[C@@H](CCO)c2cccs2)CC1 Cc1ccccc1[*:1] O=C(NCC1(CC1)[*:1])N[C@@H](CCO)c1cccs1
Cc1ccccc1C1(CNC(=O)N[C@@H](CCO)c2cccs2)CC1 OCC[*:1] Cc1ccccc1C1(CC1)CNC(=O)N[C@@H](c1cccs1)[*:1]
CC[C@@H](Br)C(=O)Nc1cccc(Cl)c1Cl CC[C@@H](Br)[*:1] O=C(Nc1cccc(Cl)c1Cl)[*:1]
C=CCNS(=O)(=O)c1ccc2c(c1)OCCO2 C=CC[*:1] O=S(=O)(N[*:1])c1ccc2OCCOc2c1
COc1cccc(CNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC(C)(C)O4)c1OC COc1cccc(c1OC)[*:1] Cc1c(oc2ccc3OC(C)(C)CC(=O)c3c12)C(=O)NC[*:1]
Cc1cc(NC(=O)NCCc2cc(F)cc(F)c2)ccc1C(=O)NC(C)C Fc1cc(F)cc(c1)[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)NCC[*:1]
Cc1cc(NC(=O)NCCc2cc(F)cc(F)c2)ccc1C(=O)NC(C)C Fc1cc(F)cc(c1)C[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)NC[*:1]
Cc1cc(NC(=O)NCCc2cc(F)cc(F)c2)ccc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NCCc1cc(F)cc(F)c1
Cc1cc(NC(=O)NCCc2cc(F)cc(F)c2)ccc1C(=O)NC(C)C CC(C)[*:1] Cc1cc(ccc1C(=O)N[*:1])NC(=O)NCCc1cc(F)cc(F)c1
CCN(CC(C)(C)O)C(=O)CCc1cccnc1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)CCc1cccnc1
CCN(CC(C)(C)O)C(=O)CCc1cccnc1 CC(C)(O)C[*:1] CCN(C(=O)CCc1cccnc1)[*:1]
CCN(CC(C)(C)O)C(=O)CCc1cccnc1 c1cncc(c1)[*:1] CCN(CC(C)(C)O)C(=O)CC[*:1]
CC(=O)Nc1cccc(CNc2ncc(Cl)cc2F)c1 CC(=O)N[*:1] Fc1cc(Cl)cnc1NCc1cccc(c1)[*:1]
CCCCN/C([O-])=C(\C#N)C(=O)Cc1cccc2cccnc12 CCC[*:1] N#C/C(C(=O)Cc1cccc2cccnc12)=C(/[O-])NC[*:1]
CCCCN/C([O-])=C(\C#N)C(=O)Cc1cccc2cccnc12 CCCCN[*:1] N#C/C(C(=O)Cc1cccc2cccnc12)=C(/[O-])[*:1]
CCCCN/C([O-])=C(\C#N)C(=O)Cc1cccc2cccnc12 CCCC[*:1] N#C/C(C(=O)Cc1cccc2cccnc12)=C(/[O-])N[*:1]
OCC(CO)(Cc1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] OCC(CO)(Cc1ccc(Cl)cc1)[*:1]
CCOC(=O)c1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 CCOC(=O)[*:1] C[C@@]12C[C@@H](NC(=O)N1c1ccc(cc1)[*:1])c1cc(ccc1O2)[N+](=O)[O-]
CCOC(=O)c1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 O=[N+]([O-])[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc(cc12)[*:1]
O=C(Nc1ccc(F)cc1)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(F)cc1)c1cn(nc1-c1cccs1)[*:1]
O=C(Nc1ccc(F)cc1)c1cn(Cc2ccccc2)nc1-c1cccs1 Fc1ccc(cc1)[*:1] O=C(N[*:1])c1cn(Cc2ccccc2)nc1-c1cccs1
O=C(Nc1ccc(F)cc1)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)c1cn(C[*:1])nc1-c1cccs1
O=C(Nc1ccc(F)cc1)c1cn(Cc2ccccc2)nc1-c1cccs1 c1csc(c1)[*:1] O=C(Nc1ccc(F)cc1)c1cn(Cc2ccccc2)nc1[*:1]
Cc1cc([C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)n[nH]1 Cc1cc(n[nH]1)[*:1] O=C(CC1=CCCCC1)N1CCC[C@H](C1)[*:1]
CCNC(=O)COc1ccc(NC(=O)c2cc(F)cc3[nH]cnc23)cc1 CCNC(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cc(F)cc2[nH]cnc12
CCNC(=O)COc1ccc(NC(=O)c2cc(F)cc3[nH]cnc23)cc1 CCNC(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1cc(F)cc2[nH]cnc12
CCNC(=O)COc1ccc(NC(=O)c2cc(F)cc3[nH]cnc23)cc1 CCNC(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(F)cc2[nH]cnc12
Cc1ccc2c(c1)C(=O)N(CCCC(=O)NC1CCCCCC1)C2=O C1CCCC(CC1)[*:1] Cc1ccc2C(=O)N(CCCC(=O)N[*:1])C(=O)c2c1
Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N[C@@H](C[*:1])C(=O)[O-])c(C)o1
Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(C)o1 O=C([O-])[*:1] Cc1cc(C(=O)N[C@@H](Cc2ccccc2)[*:1])c(C)o1
Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(C)o1 Cc1cc(c(C)o1)[*:1] O=C([O-])[C@H](Cc1ccccc1)NC(=O)[*:1]
Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(C)o1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)N[C@@H](C(=O)[O-])[*:1])c(C)o1
CC(C)n1c(CCNC(=O)C2=CCCCO2)n[nH]c1=S CC(C)[*:1] O=C(NCCc1n[nH]c(=S)n1[*:1])C1=CCCCO1
CC(=O)c1c(C)nn(-c2ccc(O[C@@H](C)C(N)=O)cc2)c1C C[C@@H](C(N)=O)[*:1] CC(=O)c1c(C)nn(-c2ccc(cc2)O[*:1])c1C
CC(=O)c1c(C)nn(-c2ccc(O[C@@H](C)C(N)=O)cc2)c1C CC(=O)[*:1] Cc1nn(-c2ccc(cc2)O[C@@H](C)C(N)=O)c(C)c1[*:1]
CC(=O)c1c(C)nn(-c2ccc(O[C@@H](C)C(N)=O)cc2)c1C NC(=O)[*:1] CC(=O)c1c(C)nn(-c2ccc(cc2)O[C@@H](C)[*:1])c1C
CC(=O)c1c(C)nn(-c2ccc(O[C@@H](C)C(N)=O)cc2)c1C C[C@H](O[*:1])C(N)=O CC(=O)c1c(C)nn(-c2ccc(cc2)[*:1])c1C
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)Nc1cccc(NC(=O)c2ccc(O)c(Cl)c2)c1 COC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(O)c(Cl)c1
COC[C@@H](C)N1CCN(C(=O)Cn2ccccc2=O)CC1 COC[C@@H](C)[*:1] O=C(Cn1ccccc1=O)N1CCN(CC1)[*:1]
COC[C@@H](C)N1CCN(C(=O)Cn2ccccc2=O)CC1 COC[*:1] C[C@@H](N1CCN(CC1)C(=O)Cn1ccccc1=O)[*:1]
COC[C@@H](C)N1CCN(C(=O)Cn2ccccc2=O)CC1 O=c1ccccn1[*:1] COC[C@@H](C)N1CCN(CC1)C(=O)C[*:1]
C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H](O)[*:1]
C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 O=[N+]([O-])[*:1] C[C@@H](Nc1nc2ccccn2c1[*:1])[C@H](O)c1ccc(F)cc1
Cc1ccc([C@H]2NCCC3=c4cc(C)ccc4=[NH+][C@@H]32)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2=[NH+][C@H]3C(CCN[C@@H]3[*:1])=c2c1
Cc1ccc(SCc2ccc(C(=O)NCc3ccccn3)cc2)cc1 Cc1ccc(cc1)S[*:1] O=C(NCc1ccccn1)c1ccc(cc1)C[*:1]
Cc1ccc(SCc2ccc(C(=O)NCc3ccccn3)cc2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)SCc1ccc(cc1)C(=O)NC[*:1]
Cc1ccc(SCc2ccc(C(=O)NCc3ccccn3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccccn1)c1ccc(cc1)CS[*:1]
Cc1ccc(SCc2ccc(C(=O)NCc3ccccn3)cc2)cc1 c1ccc(C[*:1])nc1 Cc1ccc(cc1)SCc1ccc(cc1)C(=O)N[*:1]
Cc1cccc(N(CC(N)=O)[C@H]2SC(=O)N(C)C2=O)c1 NC(=O)[*:1] Cc1cccc(c1)N(C[*:1])[C@H]1SC(=O)N(C)C1=O
Cc1cccc(N(CC(N)=O)[C@H]2SC(=O)N(C)C2=O)c1 NC(=O)C[*:1] Cc1cccc(c1)N([C@H]1SC(=O)N(C)C1=O)[*:1]
O=C(CCC1=c2ccccc2=[NH+]C1)N1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C(=O)CSc2nccn2C)c(C)n1Cc1cccs1 Cn1ccnc1[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1Cc1cccs1
Cc1cc(C(=O)CSc2nccn2C)c(C)n1Cc1cccs1 Cn1ccnc1S[*:1] Cc1cc(C(=O)C[*:1])c(C)n1Cc1cccs1
Cc1cc(C(=O)CSc2nccn2C)c(C)n1Cc1cccs1 c1csc(c1)[*:1] Cc1cc(C(=O)CSc2nccn2C)c(C)n1C[*:1]
Cc1cc(C(=O)CSc2nccn2C)c(C)n1Cc1cccs1 c1csc(c1)C[*:1] Cc1cc(C(=O)CSc2nccn2C)c(C)n1[*:1]
Cc1nc(N2CCCC2)c2c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(C)oc2n1 C1CCN(C1)[*:1] Cc1nc(c2c(C(=O)N3CCN(CC3)c3cc(Cl)ccc3C)c(C)oc2n1)[*:1]
Cc1nc(N2CCCC2)c2c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(C)oc2n1 Cc1ccc(Cl)cc1[*:1] Cc1nc(c2c(C(=O)N3CCN(CC3)[*:1])c(C)oc2n1)N1CCCC1
CCOc1ccc(Nc2ccnc(C(C)(C)C)n2)cc1 CCO[*:1] CC(C)(C)c1nccc(n1)Nc1ccc(cc1)[*:1]
CCOc1ccc(Nc2ccnc(C(C)(C)C)n2)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)Nc1ccnc(n1)[*:1]
CN1C(=O)c2ccc(NC(=O)CNc3cccc(C(F)(F)F)c3)cc2C1=O FC(F)(F)[*:1] CN1C(=O)c2ccc(cc2C1=O)NC(=O)CNc1cccc(c1)[*:1]
CCCCC[C@@H](C)n1c(=S)[nH]c2c(C)ccnc21 CCCC[*:1] Cc1ccnc2c1[nH]c(=S)n2[C@H](C)C[*:1]
CCCCC[C@@H](C)n1c(=S)[nH]c2c(C)ccnc21 CCCCC[*:1] Cc1ccnc2c1[nH]c(=S)n2[C@H](C)[*:1]
CCCCC[C@@H](C)n1c(=S)[nH]c2c(C)ccnc21 CCC[*:1] Cc1ccnc2c1[nH]c(=S)n2[C@H](C)CC[*:1]
N#CC[C@@H](SCCO)C(=O)/C=N/N1CCOC1=O OCCS[*:1] N#CC[C@@H](C(=O)/C=N/N1CCOC1=O)[*:1]
N#CC[C@@H](SCCO)C(=O)/C=N/N1CCOC1=O N#CC[*:1] O=C(/C=N/N1CCOC1=O)[C@H](SCCO)[*:1]
N#CC[C@@H](SCCO)C(=O)/C=N/N1CCOC1=O OCC[*:1] N#CC[C@@H](S[*:1])C(=O)/C=N/N1CCOC1=O
[NH3+]C[C@H]1CCCN1c1cnc2cc([N+](=O)[O-])ccc2n1 O=[N+]([O-])[*:1] [NH3+]C[C@H]1CCCN1c1cnc2cc(ccc2n1)[*:1]
COCC[C@H](C)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 COCC[C@H](C)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)[*:1]
COCC[C@H](C)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 COC[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)[C@@H](C)C[*:1]
COCC[C@H](C)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 COCC[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)[C@@H](C)[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)Nc1cnn(C(C)(C)C)c1 CNC(=O)[*:1] CC(C)(C)n1cc(cn1)NC(=O)N1CCC[C@H]1[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)Nc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] CNC(=O)[C@@H]1CCCN1C(=O)Nc1cnn(c1)[*:1]
COC(=O)CNc1ccc(Br)c2ccccc12 COC(=O)[*:1] Brc1ccc(NC[*:1])c2ccccc12
COC(=O)CNc1ccc(Br)c2ccccc12 COC(=O)C[*:1] Brc1ccc(N[*:1])c2ccccc12
CS(=O)(=O)C[C@@H](NC(=O)NCc1cccs1)c1ccccc1 c1csc(c1)[*:1] CS(=O)(=O)C[C@@H](NC(=O)NC[*:1])c1ccccc1
CS(=O)(=O)C[C@@H](NC(=O)NCc1cccs1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)C[C@@H](NC(=O)NCc1cccs1)[*:1]
CS(=O)(=O)C[C@@H](NC(=O)NCc1cccs1)c1ccccc1 c1csc(c1)C[*:1] CS(=O)(=O)C[C@@H](NC(=O)N[*:1])c1ccccc1
CS(=O)(=O)C[C@@H](NC(=O)NCc1cccs1)c1ccccc1 CS(=O)(=O)[*:1] O=C(NCc1cccs1)N[C@H](C[*:1])c1ccccc1
CS(=O)(=O)C[C@@H](NC(=O)NCc1cccs1)c1ccccc1 CS(=O)(=O)C[*:1] O=C(NCc1cccs1)N[C@@H](c1ccccc1)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)c3ccco3)CC2)C12CCCC2 CCO[*:1] O=C(N[C@@H]1C[C@H](C12CCCC2)[*:1])N1CCN(CC1)C(=O)c1ccco1
CCO[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)c3ccco3)CC2)C12CCCC2 c1coc(c1)[*:1] CCO[C@@H]1C[C@@H](NC(=O)N2CCN(CC2)C(=O)[*:1])C12CCCC2
CC(=O)Nc1nc2ccc(NC(=O)c3cccc4cn[nH]c34)cc2s1 CC(=O)N[*:1] O=C(Nc1ccc2nc(sc2c1)[*:1])c1cccc2cn[nH]c12
COc1cc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c(Cl)cc1O Fc1cccc(c1)[*:1] COc1cc(C[NH2+][C@@H](C)c2cnn(c2C)[*:1])c(Cl)cc1O
CN(Cc1cccc(-n2cccn2)c1)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 Clc1ccc(cc1)[*:1] CN(Cc1cccc(c1)-n1cccn1)C(=O)c1cn(C[*:1])nn1
CN(Cc1cccc(-n2cccn2)c1)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 c1cnn(c1)[*:1] CN(Cc1cccc(c1)[*:1])C(=O)c1cn(Cc2ccc(Cl)cc2)nn1
CN(Cc1cccc(-n2cccn2)c1)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 Clc1ccc(cc1)C[*:1] CN(Cc1cccc(c1)-n1cccn1)C(=O)c1cn(nn1)[*:1]
CC(C)(C(=O)NOCc1nnc(-c2ccccc2)o1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C(=O)NOCc1nnc(o1)[*:1])c1ccccc1
CC(C)(C(=O)NOCc1nnc(-c2ccccc2)o1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C(=O)NOCc1nnc(o1)-c1ccccc1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCO3)cc1 O=[N+]([O-])[*:1] O=S(=O)(NCCc1ccc2OCOc2c1)c1ccc(cc1)[*:1]
Cn1cc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c(C(C)(C)C)n1 FC(F)(F)[*:1] Cn1cc(C[NH2+][C@H]2CCC[C@H](C2)[*:1])c(n1)C(C)(C)C
Cn1cc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C[NH2+][C@H]2CCC[C@@H](C2)C(F)(F)F)c(n1)[*:1]
N#Cc1ccccc1N1CCCN(C(=O)c2ccccn2)CC1 c1ccc(nc1)[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)[*:1]
C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1 C=CC[*:1] c1cncc(c1)-c1nnc(SCc2nc3ccccc3[nH]2)n1[*:1]
C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1 c1cncc(c1)[*:1] C=CCn1c(nnc1[*:1])SCc1nc2ccccc2[nH]1
Cc1ccc(C)c(CN2C(=O)N(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc32)c1 Cc1ccc(C)c(c1)[*:1] O=C1N(C[*:1])c2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1
Cc1ccc(C)c(CN2C(=O)N(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc32)c1 Fc1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)CN1C(=O)N(S(=O)(=O)c2ccccc21)[*:1]
Cc1ccc(C)c(CN2C(=O)N(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc32)c1 Cc1ccc(C)c(c1)C[*:1] O=C1N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2N1[*:1]
Cc1ccc(C)c(CN2C(=O)N(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc32)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)CN1C(=O)N(C[*:1])S(=O)(=O)c2ccccc21
Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCCO[C@@H]3C(C)(C)C)c(C)n2n1 CC(C)(C)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)[NH2+]C[C@H]1CCCO[C@H]1[*:1]
CCCCC(=O)NC(=S)Nc1ccc(C)c(C)c1 CCCC[*:1] Cc1ccc(cc1C)NC(=S)NC(=O)[*:1]
CCCCC(=O)NC(=S)Nc1ccc(C)c(C)c1 CCC[*:1] Cc1ccc(cc1C)NC(=S)NC(=O)C[*:1]
CC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[*:1]
CC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1nc(C)cs1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)/C=C/c1ccccc1[*:1])c1nc(C)cs1
C[C@H]1CO[C@H](CO)CN1C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] C[C@H]1CO[C@H](CO)CN1C(=O)c1ccnc(c1)O[*:1]
C[C@H]1CO[C@H](CO)CN1C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] C[C@H]1CO[C@H](CO)CN1C(=O)c1ccnc(c1)[*:1]
O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc[n+]([O-])c1 [O-][n+]1cccc(c1)[*:1] O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)[*:1]
O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc[n+]([O-])c1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1NS(=O)(=O)[*:1])c1ccc[n+]([O-])c1
COc1ccc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)c(OC)c1 CS(=O)(=O)[*:1] COc1ccc(C(=O)Nc2nnc(o2)-c2cccc(c2)[*:1])c(c1)OC
Cc1ccc(CCNC(=O)[C@@H](C)n2c3ccccc3c3nc(=O)cc(C)n32)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)NC[*:1])n12
Cc1ccc(CCNC(=O)[C@@H](C)n2c3ccccc3c3nc(=O)cc(C)n32)cc1 Cc1ccc(cc1)[*:1] Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)NCC[*:1])n12
Cc1ccc(CCNC(=O)[C@@H](C)n2c3ccccc3c3nc(=O)cc(C)n32)cc1 Cc1ccc(cc1)CC[*:1] Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)N[*:1])n12
C[C@H](C(=O)N1CCc2c(F)ccc(F)c2C1)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)N1CCc2c(F)ccc(F)c2C1)[*:1]
C[C@H](C(=O)N1CCc2c(F)ccc(F)c2C1)c1cccs1 C[C@H](c1cccs1)[*:1] O=C(N1CCc2c(F)ccc(F)c2C1)[*:1]
CC(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 c1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)C(=O)N[C@@H](C1CC1)[*:1]
CC(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 CC(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)C(=O)N[C@@H](C[*:1])C1CC1
CC(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 C1CC1[*:1] CC(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)[*:1]
Cc1cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])Sc1nnc([C@@H]2CCC[NH2+]C2)n1C
CS[C@H]1CCC[C@@H](NC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)C1 CC(C)(C)[*:1] CS[C@H]1CCC[C@H](C1)NC(=O)C=C1CN(C1)C(=O)O[*:1]
CC[C@H](C)Sc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 O=S(=O)(N1CCCC1)[*:1] CC[C@H](C)Sc1nnc(NC(=O)c2cccc(c2)[*:1])s1
COc1ccccc1[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)C1CCCC1 C1CCC(C1)[*:1] COc1ccccc1[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)[*:1]
Cn1c(COC(=O)c2ccc(Cl)c(F)c2)nnc1-c1ccccc1 Fc1cc(ccc1Cl)[*:1] Cn1c(COC(=O)[*:1])nnc1-c1ccccc1
Cn1c(COC(=O)c2ccc(Cl)c(F)c2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(COC(=O)c2ccc(Cl)c(F)c2)nnc1[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2cn[nH]c2)C1 c1n[nH]cc1[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](C1)[*:1]
C[N+](C)(C)CCOCC[N+](C)(C)C C[N+](C)(C)[*:1] C[N+](C)(C)CCOCC[*:1]
O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCCc1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl O=[N+]([O-])[*:1] O=C(NCCc1ccc(cc1)[*:1])c1ccccc1Cl
Cc1nnc(CNC(=O)c2csc(Nc3ccccn3)n2)o1 c1ccc(nc1)[*:1] Cc1nnc(CNC(=O)c2csc(n2)N[*:1])o1
Cc1nnc(CNC(=O)c2csc(Nc3ccccn3)n2)o1 Cc1nnc(C[*:1])o1 O=C(N[*:1])c1csc(n1)Nc1ccccn1
Cc1nnc(CNC(=O)c2csc(Nc3ccccn3)n2)o1 c1ccc(nc1)N[*:1] Cc1nnc(CNC(=O)c2csc(n2)[*:1])o1
Cc1nnc(CNC(=O)c2csc(Nc3ccccn3)n2)o1 Cc1nnc(o1)[*:1] O=C(NC[*:1])c1csc(n1)Nc1ccccn1
Cc1ccc([C@@H](OC[C@@H](O)C[NH+]2CCSCC2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O[C@H](CO[C@@H](c1ccccc1)[*:1])C[NH+]1CCSCC1
Cc1ccc([C@@H](OC[C@@H](O)C[NH+]2CCSCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](OC[C@@H](O)C[NH+]1CCSCC1)[*:1]
O=C(CC1CCN(C(=O)Cn2cncn2)CC1)N1CCN(c2ccccc2)CC1 c1ncn(n1)[*:1] O=C(CC1CCN(CC1)C(=O)C[*:1])N1CCN(CC1)c1ccccc1
O=C(CC1CCN(C(=O)Cn2cncn2)CC1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CC1CCN(CC1)C(=O)Cn1cncn1)N1CCN(CC1)[*:1]
O=C(CC1CCN(C(=O)Cn2cncn2)CC1)N1CCN(c2ccccc2)CC1 c1ncn(C[*:1])n1 O=C(CC1CCN(CC1)C(=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(NC[C@H](O)c1ccco1)c1ccccc1 c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])c1ccccc1
O=C(NCCCCN1CCOCC1)c1csc2c1CCCC2 C1CN(CCO1)[*:1] O=C(NCCCC[*:1])c1csc2CCCCc12
O=C(NCCCCN1CCOCC1)c1csc2c1CCCC2 C1CN(CCO1)C[*:1] O=C(NCCC[*:1])c1csc2CCCCc12
Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3csc(C4CC4)n3)s2)cc1 c1sc(nc1[*:1])C1CC1 Cc1ccc(cc1)NC(=O)c1nnc(s1)C(Cl)=C[*:1]
Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3csc(C4CC4)n3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)/C(Cl)=C/c1csc(n1)C1CC1
Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3csc(C4CC4)n3)s2)cc1 C1CC1[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)/C(Cl)=C/c1csc(n1)[*:1]
CC[C@H]1CCC(=O)[C@@H]([C@@H](C)COC)C1 COC[*:1] CC[C@H]1CCC(=O)[C@H](C1)[C@@H](C)[*:1]
COc1cc2c(cc1OC)[C@@H](COc1ccccc1OC)N(C(=O)c1cccc(Cl)c1)CC2 COc1ccccc1OC[*:1] COc1cc2CCN(C(=O)c3cccc(Cl)c3)[C@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@@H](COc1ccccc1OC)N(C(=O)c1cccc(Cl)c1)CC2 Clc1cccc(c1)[*:1] COc1cc2CCN(C(=O)[*:1])[C@H](COc3ccccc3OC)c2cc1OC
COc1cc2c(cc1OC)[C@@H](COc1ccccc1OC)N(C(=O)c1cccc(Cl)c1)CC2 COc1ccccc1O[*:1] COc1cc2CCN(C(=O)c3cccc(Cl)c3)[C@H](C[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@@H](COc1ccccc1OC)N(C(=O)c1cccc(Cl)c1)CC2 COc1ccccc1[*:1] COc1cc2CCN(C(=O)c3cccc(Cl)c3)[C@H](CO[*:1])c2cc1OC
C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3cccs3)n2CCC(N)=O)C1 NC(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CSc1nnc(-c2cccs2)n1CC[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3cccs3)n2CCC(N)=O)C1 NC(=O)CC[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CSc1nnc(-c2cccs2)n1[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3cccs3)n2CCC(N)=O)C1 NC(=O)C[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CSc1nnc(-c2cccs2)n1C[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3cccs3)n2CCC(N)=O)C1 c1csc(c1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CSc1nnc(n1CCC(N)=O)[*:1]
COC[C@@H](C)[NH+]1CCN(CC(=O)NC(=O)NC2CC2)CC1 COC[*:1] C[C@@H]([NH+]1CCN(CC1)CC(=O)NC(=O)NC1CC1)[*:1]
COC[C@@H](C)[NH+]1CCN(CC(=O)NC(=O)NC2CC2)CC1 C1CC1[*:1] COC[C@@H](C)[NH+]1CCN(CC1)CC(=O)NC(=O)N[*:1]
C=CCC(CC=C)c1nc(-c2ccc(C#N)cn2)no1 C=CC[*:1] C=CCC(c1nc(no1)-c1ccc(C#N)cn1)[*:1]
CCN(CC)C(=O)c1ccc(Oc2ccc3nnc(C)n3n2)cc1 CCN(CC)C(=O)[*:1] Cc1nnc2ccc(nn12)Oc1ccc(cc1)[*:1]
N#CCSCC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl N#CCSC[*:1] N#C[C@@H](C(=O)[*:1])c1ncc(cc1Cl)C(F)(F)F
N#CCSCC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl N#CC[*:1] N#C[C@@H](C(=O)CS[*:1])c1ncc(cc1Cl)C(F)(F)F
N#CCSCC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] N#CCSCC(=O)[C@H](C#N)c1ncc(cc1Cl)[*:1]
N#CCSCC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl N#CCS[*:1] N#C[C@@H](C(=O)C[*:1])c1ncc(cc1Cl)C(F)(F)F
N#CCSCC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl N#CCSCC(=O)[*:1] N#C[C@H](c1ncc(cc1Cl)C(F)(F)F)[*:1]
CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 C1CCCC(CC1)[*:1] CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 O=C(NC1CCCCCC1)[*:1] CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)N1CCC[C@H](C1)[*:1]
CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 CCOC(=O)[*:1] CC1=NC(C)=C([C@@H]1S(=O)(=O)N1CCC[C@@H](C1)C(=O)NC1CCCCCC1)[*:1]
CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 CCNS(=O)(=O)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1cc(ccc1F)[*:1]
CN(Cc1ccco1)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O c1ccc(cc1)[*:1] CN(Cc1ccco1)C(=O)Cn1cnc2sc(cc2c1=O)[*:1]
CN(Cc1ccco1)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O c1coc(c1)[*:1] CN(C[*:1])C(=O)Cn1cnc2sc(cc2c1=O)-c1ccccc1
CN(Cc1ccco1)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O c1coc(c1)C[*:1] CN(C(=O)Cn1cnc2sc(cc2c1=O)-c1ccccc1)[*:1]
O=C(c1cc2ccccc2oc1=O)N1CCS[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(c1cc2ccccc2oc1=O)N1CCS[C@H]1[*:1]
O=S(=O)(Nc1ccc(Br)cn1)c1cccc2cccnc12 Brc1ccc(nc1)[*:1] O=S(=O)(N[*:1])c1cccc2cccnc12
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)NCC[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccccc1)[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cn1cc([C@H](CNc2ccc(F)cc2C#N)[NH+](C)C)cn1 Cn1cc(cn1)[*:1] C[NH+](C)[C@@H](CNc1ccc(F)cc1C#N)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1cccc(c1)NC(=O)C(=O)N(C)C[C@H](C)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@H](C)c2ccccc2)c1 CC(C)C(=O)N[*:1] C[C@@H](CN(C)C(=O)C(=O)Nc1cccc(c1)[*:1])c1ccccc1
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@H](C)c2ccccc2)c1 CC(C)[*:1] C[C@@H](CN(C)C(=O)C(=O)Nc1cccc(c1)NC(=O)[*:1])c1ccccc1
O=C(NC[C@@H]1CCC[C@H](O)C1)NCC1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCC[C@H](O)C1)NCC1(CCCC1)[*:1]
CCCC[NH+]1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 CCCC[*:1] O=[N+]([O-])c1cccc(c1)CNC1CC[NH+](CC1)[*:1]
CCCC[NH+]1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 CCC[*:1] O=[N+]([O-])c1cccc(c1)CNC1CC[NH+](CC1)C[*:1]
CCCC[NH+]1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CCCC[NH+]1CCC(CC1)NCc1cccc(c1)[*:1]
CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccc(F)c2)[C@@H](c2ccco2)C1 Fc1cccc(c1)[*:1] CS(=O)(=O)[N-]c1ccccc1C1C[C@H](c2ccco2)N(N=1)C(=O)[*:1]
CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccc(F)c2)[C@@H](c2ccco2)C1 c1coc(c1)[*:1] CS(=O)(=O)[N-]c1ccccc1C1C[C@H](N(N=1)C(=O)c1cccc(F)c1)[*:1]
CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C CC(C)[*:1] CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)[*:1]
CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C c1ccc(cc1)OC[*:1] CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(on2)[*:1])C1(C)C
CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C c1ccc(cc1)O[*:1] CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(C[*:1])on2)C1(C)C
CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C CC(C)C(=O)N[*:1] CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1[*:1]
CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C c1ccc(cc1)[*:1] CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(CO[*:1])on2)C1(C)C
CCC[C@H]1C[C@H]1NC(=O)N1CCC([NH+]2CCCC2)CC1 CCC[*:1] O=C(N[C@@H]1C[C@@H]1[*:1])N1CCC(CC1)[NH+]1CCCC1
CCC[C@H]1C[C@H]1NC(=O)N1CCC([NH+]2CCCC2)CC1 CCC[C@H]1C[C@@H]1[*:1] O=C(N[*:1])N1CCC(CC1)[NH+]1CCCC1
COc1ccc(-n2ncc(N3CCc4c(sc(N)c4C#N)C3)c(Cl)c2=O)cc1 COc1ccc(cc1)[*:1] N#Cc1c(N)sc2CN(CCc21)c1cnn(c(=O)c1Cl)[*:1]
COc1cccc(OC)c1OC[C@H](CS)c1ccccc1 c1ccc(cc1)[*:1] COc1cccc(OC)c1OC[C@H](CS)[*:1]
CCC[C@@H]1CCc2nc3c(F)cccc3c(C(=O)[O-])c2C1 CCC[*:1] O=C([O-])c1c2C[C@@H](CCc2nc2c(F)cccc12)[*:1]
CCC[C@@H]1CCc2nc3c(F)cccc3c(C(=O)[O-])c2C1 O=C([O-])[*:1] CCC[C@@H]1CCc2nc3c(F)cccc3c(c2C1)[*:1]
CCC[C@@H](NC(=O)N1C[C@H](C)O[C@H](C)C1)C(=O)N1CCc2sccc2C1 CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)N[C@@H](C(=O)N1CCc2sccc2C1)[*:1]
Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c1 CC(C)C(=O)N[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c1 Cc1ccc(F)c(c1)[*:1] CC(C)C(=O)N[C@H]1CCCN(C1)C(=O)C(=O)N[*:1]
Cc1ccc(F)c(NC(=O)C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c1 CC(C)[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)N1CCC[C@@H](C1)NC(=O)[*:1]
CCCCc1ccc2c(c1)C1(OCCCO1)C(=O)N2Cc1ccccc1OC COc1ccccc1[*:1] CCCCc1ccc2c(c1)C1(OCCCO1)C(=O)N2C[*:1]
CCCCc1ccc2c(c1)C1(OCCCO1)C(=O)N2Cc1ccccc1OC CCCC[*:1] COc1ccccc1CN1C(=O)C2(OCCCO2)c2cc(ccc21)[*:1]
CCCCc1ccc2c(c1)C1(OCCCO1)C(=O)N2Cc1ccccc1OC CCC[*:1] COc1ccccc1CN1C(=O)C2(OCCCO2)c2cc(ccc21)C[*:1]
CCCCc1ccc2c(c1)C1(OCCCO1)C(=O)N2Cc1ccccc1OC COc1ccccc1C[*:1] CCCCc1ccc2c(c1)C1(OCCCO1)C(=O)N2[*:1]
COC(=O)N[C@H](C(=O)O[C@H](C)c1ccc(F)cc1F)C(C)C CC(C)[*:1] COC(=O)N[C@H](C(=O)O[C@H](C)c1ccc(F)cc1F)[*:1]
COC(=O)N[C@H](C(=O)O[C@H](C)c1ccc(F)cc1F)C(C)C COC(=O)N[*:1] CC(C)[C@@H](C(=O)O[C@H](C)c1ccc(F)cc1F)[*:1]
Cc1ccc(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)NC(=O)COc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)NC(=O)COc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(cc1)NC(=O)c1ccco1)N[*:1]
C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 O=C(N[*:1])C1CCCCC1 C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)N1CCCCCC1)[*:1]
C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1ccc(cc1)NC(=O)N1CCCCCC1
C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 O=C(N[*:1])N1CCCCCC1 C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1NC(=O)N1CCC(Oc2ccccc2)CC1 COc1ccccc1[*:1] O=C(N[*:1])N1CCC(CC1)Oc1ccccc1
COc1ccccc1NC(=O)N1CCC(Oc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)N1CCC(CC1)O[*:1]
COc1ccccc1NC(=O)N1CCC(Oc2ccccc2)CC1 c1ccc(cc1)O[*:1] COc1ccccc1NC(=O)N1CCC(CC1)[*:1]
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc[nH]2)c1C c1c[nH]c(c1)[*:1] Cc1cccc(NC(=O)C(C#N)=C[*:1])c1C
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NC[*:1]
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1nnc2n1CCC2 Fc1ccc(cc1F)[*:1] C[C@@H](N(C)C(=O)NCc1nnc2CCCn21)[*:1]
CCOc1ccccc1NC(=O)c1ncoc1-c1ccc(OC)cc1 CCO[*:1] COc1ccc(cc1)-c1ocnc1C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)c1ncoc1-c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)c1ncoc1[*:1]
CCC(CC)(CC(=O)Nc1ccc(F)c(F)c1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(CC(=O)Nc1ccc(F)c(F)c1)[*:1]
Cc1nn(-c2ccccc2)nc1C(=O)N1CCCCc2ccccc21 c1ccc(cc1)[*:1] Cc1nn(nc1C(=O)N1CCCCc2ccccc21)[*:1]
C[C@H](Cn1cccn1)[NH2+]Cc1cc(-c2ccccc2Cl)on1 c1cnn(c1)[*:1] C[C@H](C[*:1])[NH2+]Cc1cc(on1)-c1ccccc1Cl
C[C@H](Cn1cccn1)[NH2+]Cc1cc(-c2ccccc2Cl)on1 c1cnn(c1)C[*:1] C[C@H]([NH2+]Cc1cc(on1)-c1ccccc1Cl)[*:1]
C[C@H](Cn1cccn1)[NH2+]Cc1cc(-c2ccccc2Cl)on1 Clc1ccccc1[*:1] C[C@H](Cn1cccn1)[NH2+]Cc1cc(on1)[*:1]
CN(C)C(=O)c1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[nH]1 CC(C)(C)OC(=O)[*:1] CN(C)C(=O)c1ccc(C[NH2+]C2CCC(CC2)[*:1])[nH]1
CN(C)C(=O)c1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[nH]1 CC(C)(C)[*:1] CN(C)C(=O)c1ccc(C[NH2+]C2CCC(CC2)C(=O)O[*:1])[nH]1
CN(C)C(=O)c1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[nH]1 CN(C)C(=O)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)[NH2+]Cc1ccc([nH]1)[*:1]
CC(C)(C)NC(=O)c1ccc(NC(=O)CCNS(C)(=O)=O)cc1 CS(=O)(=O)NCC[*:1] CC(C)(C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)(C)NC(=O)c1ccc(NC(=O)CCNS(C)(=O)=O)cc1 CC(C)(C)[*:1] CS(=O)(=O)NCCC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)(C)NC(=O)c1ccc(NC(=O)CCNS(C)(=O)=O)cc1 CS(=O)(=O)NC[*:1] CC(C)(C)NC(=O)c1ccc(cc1)NC(=O)C[*:1]
CC(C)(C)NC(=O)c1ccc(NC(=O)CCNS(C)(=O)=O)cc1 CS(=O)(=O)N[*:1] CC(C)(C)NC(=O)c1ccc(cc1)NC(=O)CC[*:1]
CC(C)(C)NC(=O)c1ccc(NC(=O)CCNS(C)(=O)=O)cc1 CC(C)(C)NC(=O)[*:1] CS(=O)(=O)NCCC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C[C@H](C)[C@](O)(C(=O)[O-])C(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)C[C@H](C)[C@](O)(C(=O)[O-])[*:1]
COc1ccc(C[C@H](C)[C@](O)(C(=O)[O-])C(C)C)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)C[C@H](C)[C@](O)(C(C)C)[*:1]
Fc1ccccc1[C@@H]1C[C@@H]1Nc1cc(-n2ccnc2)ncn1 Fc1ccccc1[*:1] c1cn(cn1)-c1cc(ncn1)N[C@H]1C[C@H]1[*:1]
Fc1ccccc1[C@@H]1C[C@@H]1Nc1cc(-n2ccnc2)ncn1 c1cn(cn1)[*:1] Fc1ccccc1[C@@H]1C[C@@H]1Nc1cc(ncn1)[*:1]
CNC(=O)c1csc(-c2ccccc2)n1 CNC(=O)[*:1] c1ccc(cc1)-c1nc(cs1)[*:1]
CCCN[C@H](C)c1cc[nH+]c(N(C)Cc2csc(Br)c2)c1 CCCN[*:1] C[C@H](c1cc[nH+]c(c1)N(C)Cc1csc(Br)c1)[*:1]
CCCN[C@H](C)c1cc[nH+]c(N(C)Cc2csc(Br)c2)c1 Brc1cc(cs1)[*:1] CCCN[C@H](C)c1cc[nH+]c(c1)N(C)C[*:1]
CCCN[C@H](C)c1cc[nH+]c(N(C)Cc2csc(Br)c2)c1 CCCN[C@H](C)[*:1] CN(Cc1csc(Br)c1)c1cc(cc[nH+]1)[*:1]
CCCN[C@H](C)c1cc[nH+]c(N(C)Cc2csc(Br)c2)c1 Brc1cc(cs1)C[*:1] CCCN[C@H](C)c1cc[nH+]c(c1)N(C)[*:1]
CCCN[C@H](C)c1cc[nH+]c(N(C)Cc2csc(Br)c2)c1 CCC[*:1] C[C@@H](N[*:1])c1cc[nH+]c(c1)N(C)Cc1csc(Br)c1
Cc1cc(C)cc(OCn2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)n2)c1 Cc1cc(C)cc(c1)OC[*:1] Cc1c(NC(=O)c2ccn(n2)[*:1])c(nn1C)C(=O)N(C)C
Cc1cc(C)cc(OCn2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)n2)c1 CN(C)C(=O)[*:1] Cc1cc(C)cc(c1)OCn1ccc(n1)C(=O)Nc1c(nn(C)c1C)[*:1]
Cc1cc(C)cc(OCn2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)n2)c1 Cc1cc(C)cc(c1)[*:1] Cc1c(NC(=O)c2ccn(CO[*:1])n2)c(nn1C)C(=O)N(C)C
Cc1cc(C)cc(OCn2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)n2)c1 Cc1cc(C)cc(c1)O[*:1] Cc1c(NC(=O)c2ccn(C[*:1])n2)c(nn1C)C(=O)N(C)C
C=C(C)C[C@@H]([NH3+])c1ccc(F)c(Cl)c1 C=C(C)C[*:1] [NH3+][C@@H](c1ccc(F)c(Cl)c1)[*:1]
C=C(C)C[C@@H]([NH3+])c1ccc(F)c(Cl)c1 C=C(C)[*:1] [NH3+][C@H](C[*:1])c1ccc(F)c(Cl)c1
CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CCOC COC[*:1] CC[NH2+][C@]1(CCC[C@H]1C[*:1])C(=O)[O-]
CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CCOC O=C([O-])[*:1] CC[NH2+][C@]1(CCC[C@H]1CCOC)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CCOC COCC[*:1] CC[NH2+][C@]1(CCC[C@@H]1[*:1])C(=O)[O-]
CCOC(=O)c1c(NC(=O)c2ccccc2S(C)(=O)=O)sc2c1CC[C@@H](C)C2 CCOC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)c1ccccc1S(C)(=O)=O)c2[*:1]
CCOC(=O)c1c(NC(=O)c2ccccc2S(C)(=O)=O)sc2c1CC[C@@H](C)C2 CS(=O)(=O)[*:1] CCOC(=O)c1c(NC(=O)c2ccccc2[*:1])sc2C[C@H](C)CCc21
Cc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)s1 Cc1ccc(s1)[*:1] O=C(CNC(=O)c1ccc(Cl)cc1)Nc1nc(cs1)[*:1]
Cc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)s1 Clc1ccc(cc1)[*:1] Cc1ccc(s1)-c1csc(n1)NC(=O)CNC(=O)[*:1]
O=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)c1ccc(Cl)cc1)Nc1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)[*:1])Nc1ccc(F)cc1
O=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)c1ccc(Cl)cc1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)c1ccc(Cl)cc1)N[*:1]
O=C(Nc1cccc(-c2nnco2)c1)c1cn(-c2ccccc2)nc1-c1cccs1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1nnco1)c1cn(nc1-c1cccs1)[*:1]
O=C(Nc1cccc(-c2nnco2)c1)c1cn(-c2ccccc2)nc1-c1cccs1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)-c1nnco1)c1cn(nc1[*:1])-c1ccccc1
O=C(Nc1cccc(-c2nnco2)c1)c1cn(-c2ccccc2)nc1-c1cccs1 c1nnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cn(nc1-c1cccs1)-c1ccccc1
Cc1ccc(SCC(=O)N[C@H](C)CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)SCC(=O)N[C@H](C)CC[*:1]
Cc1ccc(SCC(=O)N[C@H](C)CCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)SCC(=O)N[C@H](C)C[*:1]
Cc1ccc(SCC(=O)N[C@H](C)CCN2CCOCC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CCN1CCOCC1)NC(=O)CS[*:1]
CCN(C)S(=O)(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 Clc1ccccc1[*:1] CCN(C)S(=O)(=O)N[C@H]1CCCN(C1)[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C(=O)N1CCN(CC1)c1ccccc1C(F)(F)F)[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)n1 FC(F)(F)[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)N1CCN(CC1)c1ccccc1[*:1]
O=C(NC[C@@H](O)c1ccco1)Nc1ccccc1C(F)(F)F c1coc(c1)[*:1] O=C(NC[C@@H](O)[*:1])Nc1ccccc1C(F)(F)F
O=C(NC[C@@H](O)c1ccco1)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NC[C@@H](O)c1ccco1)Nc1ccccc1[*:1]
C[C@H](C#N)CNS(=O)(=O)/C=C/c1ccccc1Cl C[C@H](C#N)[*:1] O=S(=O)(/C=C/c1ccccc1Cl)NC[*:1]
COC(=O)[C@@]1([NH2+]C(C)C)CCC[C@H](SC)C1 COC(=O)[*:1] CS[C@H]1CCC[C@@](C1)([NH2+]C(C)C)[*:1]
COC(=O)[C@@]1([NH2+]C(C)C)CCC[C@H](SC)C1 CC(C)[*:1] COC(=O)[C@]1(CCC[C@@H](C1)SC)[NH2+][*:1]
O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 C1CCc2nnc(n2CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCOCC1
O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)-c1nnc2CCCCCn21)c1ccc(F)c(c1)[*:1]
CCOc1cc2c(cc1NC(=O)C1CCN(C(=O)C3CC3)CC1)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)NC(=O)C1CCN(CC1)C(=O)C1CC1)[*:1]
CCOc1cc2c(cc1NC(=O)C1CCN(C(=O)C3CC3)CC1)O[C@@H](C)C2 C1CC1[*:1] CCOc1cc2C[C@H](C)Oc2cc1NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(=O)c1ccc(N[C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 CC(=O)[*:1] Cc1csc(n1)[C@H](C)Nc1ccc(cc1[N+](=O)[O-])[*:1]
CC(=O)c1ccc(N[C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 Cc1csc(n1)[*:1] CC(=O)c1ccc(N[C@@H](C)[*:1])c(c1)[N+](=O)[O-]
CC(=O)c1ccc(N[C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(N[C@@H](C)c2nc(C)cs2)c(c1)[*:1]
CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1NC(=O)c1ccco1 c1coc(c1)[*:1] CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1NC(=O)[*:1]
Cc1ccc(-c2cc(N)n(-c3ccccn3)n2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)-c1cc(N)n(n1)[*:1]
Cc1ccc([C@H](C)Nc2nccs2)cc1F c1csc(n1)[*:1] Cc1ccc(cc1F)[C@H](C)N[*:1]
Cc1nnc(-c2ccc(NC(=O)N[C@H]3CCCc4c3cnn4C)cc2)o1 Cc1nnc(o1)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1ccc(cc1)[*:1]
NC(=O)NC1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 NC(=O)N[*:1] O=C(N1CCC(CC1)[*:1])C1(CC1)c1cccc(Br)c1
NC(=O)NC1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 Brc1cccc(c1)[*:1] NC(=O)NC1CCN(CC1)C(=O)C1(CC1)[*:1]
CCN(CC)c1cc(N2Cc3cnc(-c4ccccc4)nc3C2)nc(N)[nH+]1 CCN(CC)[*:1] Nc1nc(cc([nH+]1)[*:1])N1Cc2cnc(nc2C1)-c1ccccc1
CCN(CC)c1cc(N2Cc3cnc(-c4ccccc4)nc3C2)nc(N)[nH+]1 c1ccc(cc1)[*:1] CCN(CC)c1cc(nc(N)[nH+]1)N1Cc2cnc(nc2C1)[*:1]
C[C@@H](CCO)SCC(=O)c1cc(F)ccc1O OCC[*:1] C[C@@H](SCC(=O)c1cc(F)ccc1O)[*:1]
C[C@@H](CCO)SCC(=O)c1cc(F)ccc1O C[C@@H](CCO)[*:1] O=C(CS[*:1])c1cc(F)ccc1O
CC(C)c1cc(=O)[nH]c(SCC(=O)[O-])n1 O=C([O-])[*:1] CC(C)c1cc(=O)[nH]c(n1)SC[*:1]
CC(C)c1cc(=O)[nH]c(SCC(=O)[O-])n1 O=C([O-])C[*:1] CC(C)c1cc(=O)[nH]c(n1)S[*:1]
CC(C)c1cc(=O)[nH]c(SCC(=O)[O-])n1 CC(C)[*:1] O=C([O-])CSc1nc(cc(=O)[nH]1)[*:1]
CC(C)c1cc(=O)[nH]c(SCC(=O)[O-])n1 O=C([O-])CS[*:1] CC(C)c1cc(=O)[nH]c(n1)[*:1]
OCC1CC[NH+](Cc2cccc(NC3CCCCCC3)c2)CC1 C1CCCC(CC1)[*:1] OCC1CC[NH+](CC1)Cc1cccc(c1)N[*:1]
CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccs1 O=[N+]([O-])c1cccc(c1)[*:1] CCn1c(nnc1-c1cccs1)S[C@H](C)C(=O)N[*:1]
CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccs1 O=[N+]([O-])[*:1] CCn1c(nnc1-c1cccs1)S[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CCn1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1cccc(c1)[N+](=O)[O-]
CCOc1ncnc(NC[C@H]2CCCC[C@H]2CO)c1N CCO[*:1] Nc1c(ncnc1[*:1])NC[C@H]1CCCC[C@H]1CO
CC(C)NC(=O)COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 C[C@@H]1C[C@@H]1C(=O)N[*:1] CC(C)NC(=O)COC(=O)c1ccc(cc1)[*:1]
CC(C)NC(=O)COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 CC(C)NC(=O)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)OC[*:1]
CC(C)NC(=O)COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 CC(C)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)OCC(=O)N[*:1]
CC(C)NC(=O)COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 CC(C)NC(=O)C[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)O[*:1]
CC(C)(C)n1cc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)cn1 c1ccc(cc1)[*:1] CC(C)(C)n1cc(cn1)NC(=O)N1CCCC[C@H]1C[*:1]
CC(C)(C)n1cc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)[*:1])N1CCCC[C@H]1Cc1ccccc1
CC(C)(C)n1cc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)cn1 c1ccc(cc1)C[*:1] CC(C)(C)n1cc(cn1)NC(=O)N1CCCC[C@@H]1[*:1]
Cc1cc(C(F)(F)F)nn1C[C@@H](C)c1nc2c3cnn(-c4ccccc4)c3ncn2n1 Cc1cc(nn1[*:1])C(F)(F)F C[C@H](C[*:1])c1nc2c3cnn(-c4ccccc4)c3ncn2n1
Cc1cc(C(F)(F)F)nn1C[C@@H](C)c1nc2c3cnn(-c4ccccc4)c3ncn2n1 c1ccc(cc1)[*:1] Cc1cc(nn1C[C@@H](C)c1nc2c3cnn(c3ncn2n1)[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)nn1C[C@@H](C)c1nc2c3cnn(-c4ccccc4)c3ncn2n1 FC(F)(F)[*:1] Cc1cc(nn1C[C@@H](C)c1nc2c3cnn(-c4ccccc4)c3ncn2n1)[*:1]
O=C(CCC(F)(F)F)N1CCC[C@@H](Cn2cc(-c3cccnc3)nn2)C1 FC(F)(F)C[*:1] O=C(C[*:1])N1CCC[C@H](C1)Cn1cc(nn1)-c1cccnc1
O=C(CCC(F)(F)F)N1CCC[C@@H](Cn2cc(-c3cccnc3)nn2)C1 FC(F)(F)CC[*:1] O=C(N1CCC[C@H](C1)Cn1cc(nn1)-c1cccnc1)[*:1]
O=C(CCC(F)(F)F)N1CCC[C@@H](Cn2cc(-c3cccnc3)nn2)C1 FC(F)(F)[*:1] O=C(CC[*:1])N1CCC[C@H](C1)Cn1cc(nn1)-c1cccnc1
O=C(CCC(F)(F)F)N1CCC[C@@H](Cn2cc(-c3cccnc3)nn2)C1 c1cncc(c1)[*:1] O=C(CCC(F)(F)F)N1CCC[C@H](C1)Cn1cc(nn1)[*:1]
CC[C@@H](C)N(C)c1c(N)cccc1Cl CC[C@@H](C)[*:1] CN(c1c(N)cccc1Cl)[*:1]
CC(C)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 CC(C)NC(=O)N[*:1] C(#Cc1ccccn1)c1cccc(c1)[*:1]
CC(C)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 CC(C)[*:1] O=C(Nc1cccc(C#Cc2ccccn2)c1)N[*:1]
CC(C)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 c1ccc(nc1)[*:1] CC(C)NC(=O)Nc1cccc(C#C[*:1])c1
CCN1CCN(C(=O)c2cn(CC3CCCCC3)nn2)[C@@H](C)C1=O C1CCC(CC1)C[*:1] CCN1CCN(C(=O)c2cn(nn2)[*:1])[C@@H](C)C1=O
CCN1CCN(C(=O)c2cn(CC3CCCCC3)nn2)[C@@H](C)C1=O C1CCC(CC1)[*:1] CCN1CCN(C(=O)c2cn(C[*:1])nn2)[C@@H](C)C1=O
CC1(C)CCC[C@H]1NC(=O)NC[C@](C)(O)c1ccccc1 CC1(C)CCC[C@@H]1[*:1] C[C@](O)(CNC(=O)N[*:1])c1ccccc1
CC1(C)CCC[C@H]1NC(=O)NC[C@](C)(O)c1ccccc1 c1ccc(cc1)[*:1] CC1(C)CCC[C@H]1NC(=O)NC[C@](C)(O)[*:1]
Cc1ccccc1OCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 Cc1ccccc1O[*:1] C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC[*:1]
Cc1ccccc1OCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 O=C(N[*:1])c1ccco1 Cc1ccccc1OCCn1c(nc2ccccc21)[C@H](C)[*:1]
Cc1ccccc1OCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 Cc1ccccc1[*:1] C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCO[*:1]
Cc1ccccc1OCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 Cc1ccccc1OC[*:1] C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1C[*:1]
Cc1ccccc1OCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 c1coc(c1)[*:1] Cc1ccccc1OCCn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
Cn1cnnc1CCn1cc(C#N)c([O-])nc1=O Cn1cnnc1[*:1] N#Cc1cn(CC[*:1])c(=O)nc1[O-]
Cc1noc(C)c1[C@@H](C)NC(=O)NCc1cccc(OCC(F)F)c1 FC(F)C[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)NCc1cccc(c1)O[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)NCc1cccc(OCC(F)F)c1 FC(F)CO[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)NCc1cccc(c1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)NCc1cccc(OCC(F)F)c1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)NCc1cccc(c1)OCC(F)F)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)NCc1cccc(OCC(F)F)c1 FC(F)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)NCc1cccc(c1)OC[*:1]
N#Cc1cccnc1NCCOc1ccccc1 c1ccc(cc1)[*:1] N#Cc1cccnc1NCCO[*:1]
CCN1CC(=O)N(CC[C@H](C)CCCl)CC1=O ClCC[*:1] CCN1CC(=O)N(CC[C@H](C)[*:1])CC1=O
CCN1CC(=O)N(CC[C@H](C)CCCl)CC1=O C[C@H](CCCl)[*:1] CCN1CC(=O)N(CC[*:1])CC1=O
O=C(Nc1nncs1)c1ccc(NCc2ccccn2)nc1 c1nnc(s1)[*:1] O=C(N[*:1])c1ccc(nc1)NCc1ccccn1
O=C(Nc1nncs1)c1ccc(NCc2ccccn2)nc1 c1ccc(C[*:1])nc1 O=C(Nc1nncs1)c1ccc(nc1)N[*:1]
O=C(Nc1nncs1)c1ccc(NCc2ccccn2)nc1 c1ccc(nc1)[*:1] O=C(Nc1nncs1)c1ccc(nc1)NC[*:1]
O=S1(=O)CC[C@@H](CNc2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)C1 O=S1(=O)CC[C@H](C1)C[*:1] c1cc(ccn1)-c1nc2CC[NH2+]CCc2c(n1)N[*:1]
O=S1(=O)CC[C@@H](CNc2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)C1 O=S1(=O)CC[C@@H](C1)[*:1] c1cc(ccn1)-c1nc2CC[NH2+]CCc2c(n1)NC[*:1]
O=S1(=O)CC[C@@H](CNc2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)C1 c1cc(ccn1)[*:1] O=S1(=O)CC[C@@H](CNc2nc(nc3CC[NH2+]CCc32)[*:1])C1
CCOC(=O)c1cnn([C@H]2CCCN(c3cnccc3C#N)C2)c1 CCOC(=O)[*:1] N#Cc1ccncc1N1CCC[C@@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(c3cnccc3C#N)C2)c1 N#Cc1ccncc1[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)[*:1]
Cc1ccc(NC(=O)N(C)C2CCCCC2)cc1C C1CCC(CC1)[*:1] Cc1ccc(cc1C)NC(=O)N(C)[*:1]
Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] Nn1c(nnc1SCC(=O)N[*:1])N/N=C/c1cccnc1
Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1cccc2ccccc12 C(=N/N[*:1])\c1cccnc1 Nn1c(nnc1[*:1])SCC(=O)Nc1cccc2ccccc12
Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1cccc2ccccc12 c1cncc(c1)[*:1] Nn1c(nnc1SCC(=O)Nc1cccc2ccccc12)NN=C[*:1]
CCc1cnc([C@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccco2)s1 C1CC1[*:1] CCc1cnc(s1)[C@H](C)NC(=O)N([C@H](C)c1ccco1)[*:1]
CCc1cnc([C@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccco2)s1 c1coc(c1)[*:1] CCc1cnc(s1)[C@H](C)NC(=O)N(C1CC1)[C@H](C)[*:1]
CCc1cnc([C@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccco2)s1 C[C@H](c1ccco1)[*:1] CCc1cnc(s1)[C@H](C)NC(=O)N(C1CC1)[*:1]
CCc1cnc([C@H](C)NC(=O)N(C2CC2)[C@H](C)c2ccco2)s1 CCc1cnc(s1)[*:1] C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)[*:1]
CCC[C@@H](C)C[C@H](O)c1ncc[nH]1 CCC[*:1] C[C@@H](C[C@H](O)c1ncc[nH]1)[*:1]
CC[C@H](C)CN(CC)C(=O)Cc1ccccc1N CC[C@H](C)[*:1] CCN(C[*:1])C(=O)Cc1ccccc1N
CC[C@H](C)CN(CC)C(=O)Cc1ccccc1N CC[C@H](C)C[*:1] CCN(C(=O)Cc1ccccc1N)[*:1]
C=CC[C@](C#N)(C(=O)OCC)[C@@H](C)C#CCC CCC#C[*:1] C=CC[C@](C#N)(C(=O)OCC)[C@@H](C)[*:1]
C=CC[C@](C#N)(C(=O)OCC)[C@@H](C)C#CCC CCOC(=O)[*:1] C=CC[C@](C#N)([C@@H](C)C#CCC)[*:1]
C=CC[C@](C#N)(C(=O)OCC)[C@@H](C)C#CCC C=CC[*:1] CCC#C[C@H](C)[C@](C#N)(C(=O)OCC)[*:1]
CCOc1ccc([C@@H](C)NC(=O)NCC(=O)NC2CC2)cc1 O=C(C[*:1])NC1CC1 CCOc1ccc(cc1)[C@@H](C)NC(=O)N[*:1]
CCOc1ccc([C@@H](C)NC(=O)NCC(=O)NC2CC2)cc1 CCO[*:1] C[C@@H](NC(=O)NCC(=O)NC1CC1)c1ccc(cc1)[*:1]
CCOc1ccc([C@@H](C)NC(=O)NCC(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] CCOc1ccc(cc1)[C@@H](C)NC(=O)NC[*:1]
CCOc1ccc([C@@H](C)NC(=O)NCC(=O)NC2CC2)cc1 C1CC1[*:1] CCOc1ccc(cc1)[C@@H](C)NC(=O)NCC(=O)N[*:1]
Cc1c([C@@H](C)NCCc2coc(-c3ccc(F)cc3)n2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])[C@@H](C)NCCc1coc(n1)-c1ccc(F)cc1
Cc1c([C@@H](C)NCCc2coc(-c3ccc(F)cc3)n2)cccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])[C@@H](C)NCCc1coc(n1)[*:1]
CCN(CC)C(=O)C[C@@H](Nc1cccc(Br)c1)C(N)=O NC(=O)[*:1] CCN(CC)C(=O)C[C@@H](Nc1cccc(Br)c1)[*:1]
Cc1cnc(CCN(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)s1 Cc1cnc(CC[*:1])s1 CN(C(=O)NC1CCC(CC1)Oc1ccc(C#N)cn1)[*:1]
Cc1cnc(CCN(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)s1 N#Cc1ccc(nc1)O[*:1] Cc1cnc(CCN(C)C(=O)NC2CCC(CC2)[*:1])s1
Cc1cnc(CCN(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)s1 N#Cc1ccc(nc1)[*:1] Cc1cnc(CCN(C)C(=O)NC2CCC(CC2)O[*:1])s1
Cc1cnc(CCN(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)s1 Cc1cnc(C[*:1])s1 CN(C[*:1])C(=O)NC1CCC(CC1)Oc1ccc(C#N)cn1
Cc1cnc(CCN(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)s1 Cc1cnc(s1)[*:1] CN(CC[*:1])C(=O)NC1CCC(CC1)Oc1ccc(C#N)cn1
CCOc1cc([C@H]2CC(=O)NC3=NC(SCc4cccc(Cl)c4)=NC(=O)[C@H]32)ccc1OC Clc1cccc(c1)[*:1] CCOc1cc(ccc1OC)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)SC[*:1]
CCOc1cc([C@H]2CC(=O)NC3=NC(SCc4cccc(Cl)c4)=NC(=O)[C@H]32)ccc1OC Clc1cccc(c1)C[*:1] CCOc1cc(ccc1OC)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)S[*:1]
CCOc1cc([C@H]2CC(=O)NC3=NC(SCc4cccc(Cl)c4)=NC(=O)[C@H]32)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)SCc1cccc(Cl)c1
O=C(NCc1ccc(F)cc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1
O=C(NCc1ccc(F)cc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1 c1cc(ccn1)[*:1] O=C(NCc1ccc(F)cc1)[C@@H](N(C(=O)c1csnn1)C1CC1)[*:1]
O=C(NCc1ccc(F)cc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1
O=C(NCc1ccc(F)cc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1 C1CC1[*:1] O=C(NCc1ccc(F)cc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)[*:1]
O=C(NCc1ccc(F)cc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1 c1snnc1[*:1] O=C(NCc1ccc(F)cc1)[C@@H](c1ccncc1)N(C(=O)[*:1])C1CC1
COCCN1C(=O)CSC12CCN(C(=O)Nc1cccc(OC)c1)CC2 COc1cccc(c1)[*:1] COCCN1C(=O)CSC12CCN(CC2)C(=O)N[*:1]
COCCN1C(=O)CSC12CCN(C(=O)Nc1cccc(OC)c1)CC2 COCC[*:1] COc1cccc(c1)NC(=O)N1CCC2(CC1)SCC(=O)N2[*:1]
COCCN1C(=O)CSC12CCN(C(=O)Nc1cccc(OC)c1)CC2 COC[*:1] COc1cccc(c1)NC(=O)N1CCC2(CC1)SCC(=O)N2C[*:1]
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] COc1cc(cc(c1)C(=O)NN=C[*:1])OC
O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)[*:1]
O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(Cl)nc1 Fc1ccc(cc1)[*:1] O=C(N[C@@H]([C@@H]1CCCO1)[*:1])c1ccc(Cl)nc1
O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(Cl)nc1 C1CO[C@@H](C1)[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])c1ccc(Cl)nc1
O=C(NC[C@H]1CCCO1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2ccc(F)cc2)=N1 O=C(NC[C@H]1CCCO1)[*:1] Fc1ccc(cc1)C1=NC(=CC2=c3ccccc3=[NH+][C@@H]12)[*:1]
O=C(NC[C@H]1CCCO1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2ccc(F)cc2)=N1 C1CO[C@H](C1)C[*:1] O=C(N[*:1])C1=CC2=c3ccccc3=[NH+][C@H]2C(=N1)c1ccc(F)cc1
O=C(NC[C@H]1CCCO1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2ccc(F)cc2)=N1 Fc1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)C1=CC2=c3ccccc3=[NH+][C@H]2C(=N1)[*:1]
O=C(NC[C@H]1CCCO1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2ccc(F)cc2)=N1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])C1=CC2=c3ccccc3=[NH+][C@H]2C(=N1)c1ccc(F)cc1
COC(=O)C1CCN(c2ncnc(N3CCN(CCO)CC3)c2N)CC1 OCC[*:1] COC(=O)C1CCN(CC1)c1ncnc(c1N)N1CCN(CC1)[*:1]
COC(=O)C1CCN(c2ncnc(N3CCN(CCO)CC3)c2N)CC1 COC(=O)[*:1] Nc1c(ncnc1N1CCN(CCO)CC1)N1CCC(CC1)[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccc(Cl)c2Cl)cc1OC COc1ccc(cc1OC)[*:1] O=C1C[C@@H](CC2Nc3ncnn3[C@H](C=21)c1cccc(Cl)c1Cl)[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccc(Cl)c2Cl)cc1OC Clc1cccc(c1Cl)[*:1] COc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2[*:1]
COc1ncccc1C(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 COc1ncccc1[*:1] C[NH+](C)Cc1ccc(cc1)[C@@H]1CCCCN1C(=O)[*:1]
C[C@H](CS(C)(=O)=O)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 C[C@H](CS(C)(=O)=O)[*:1] C[C@@H](NC(=O)[*:1])c1ccc2CCCc2c1
C[C@H](CS(C)(=O)=O)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 CS(=O)(=O)C[*:1] C[C@H](C(=O)N[C@H](C)c1ccc2CCCc2c1)[*:1]
C[C@H](CS(C)(=O)=O)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 CS(=O)(=O)[*:1] C[C@H](C[*:1])C(=O)N[C@H](C)c1ccc2CCCc2c1
Cc1nc(C)c(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)s1 Cc1nc(C)c(s1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)NC[*:1]
Cc1nc(C)c(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)s1 Cc1nc(C)c(C[*:1])s1 O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N[*:1]
C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 O=S(=O)(N1CCOCC1)[*:1] C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCc2cc(ccc21)[*:1]
C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 c1ccc2sc(nc2c1)S[*:1] C[C@H](C(=O)N1CCc2cc(ccc21)S(=O)(=O)N1CCOCC1)[*:1]
C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 c1ccc2sc(nc2c1)[*:1] C[C@H](S[*:1])C(=O)N1CCc2cc(ccc21)S(=O)(=O)N1CCOCC1
CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CCCC1 CN(C)C(=O)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])C(=O)N1CCCC1
C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CCCN(CC1)S(=O)(=O)[*:1]
O=C(Cn1cnc2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] O=C(Cn1cnc2ccccc21)N/N=C/c1cccc(c1[O-])[*:1]
O=C(N[C@H](c1ccccc1)c1cccs1)[C@H]1CCCN(c2cnccn2)C1 c1csc(c1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])[C@H]1CCCN(C1)c1cnccn1
O=C(N[C@H](c1ccccc1)c1cccs1)[C@H]1CCCN(c2cnccn2)C1 c1cnc(cn1)[*:1] O=C(N[C@H](c1ccccc1)c1cccs1)[C@H]1CCCN(C1)[*:1]
O=C(N[C@H](c1ccccc1)c1cccs1)[C@H]1CCCN(c2cnccn2)C1 c1ccc(cc1)[*:1] O=C(N[C@H](c1cccs1)[*:1])[C@H]1CCCN(C1)c1cnccn1
CC#CCOc1ccc(C[C@@H](C)[NH3+])nc1 CC#C[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)OC[*:1]
CC#CCOc1ccc(C[C@@H](C)[NH3+])nc1 CC#CCO[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)[*:1]
CC#CCOc1ccc(C[C@@H](C)[NH3+])nc1 CC#CC[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)O[*:1]
O=C(NC[C@H]1CCCO1)[C@@H]1C=c2cc(F)ccc2=[NH+]1 C1CO[C@H](C1)C[*:1] O=C(N[*:1])[C@@H]1C=c2cc(F)ccc2=[NH+]1
O=C(NC[C@H]1CCCO1)[C@@H]1C=c2cc(F)ccc2=[NH+]1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])[C@@H]1C=c2cc(F)ccc2=[NH+]1
O=C1N=C([O-])N(c2ccc(Cl)cc2)[C@@H](O)[C@H]1[C@@H]1NCCC2=c3ccccc3=[NH+][C@H]21 Clc1ccc(cc1)[*:1] O=C1N=C([O-])N([C@@H](O)[C@H]1[C@@H]1NCCC2=c3ccccc3=[NH+][C@H]21)[*:1]
CN(C(=O)C[NH2+]C(C)(C)C)c1ccc(C#N)cc1 CC(C)(C)[*:1] CN(C(=O)C[NH2+][*:1])c1ccc(C#N)cc1
CCOC(=O)NCCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 CCOC(=O)N[*:1] O=C(CC[*:1])NCC#Cc1cccc(c1)C(F)(F)F
CCOC(=O)NCCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 CCOC(=O)NC[*:1] O=C(C[*:1])NCC#Cc1cccc(c1)C(F)(F)F
CCOC(=O)NCCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 CCOC(=O)NCC[*:1] O=C(NCC#Cc1cccc(c1)C(F)(F)F)[*:1]
CCOC(=O)NCCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCOC(=O)NCCC(=O)NCC#Cc1cccc(c1)[*:1]
Fc1cccc(-c2nnn(Cc3nc(-c4cccs4)no3)n2)c1 c1csc(c1)[*:1] Fc1cccc(c1)-c1nnn(Cc2nc(no2)[*:1])n1
Fc1cccc(-c2nnn(Cc3nc(-c4cccs4)no3)n2)c1 Fc1cccc(c1)[*:1] c1csc(c1)-c1noc(Cn2nnc(n2)[*:1])n1
CC(C)CC[C@H](C)NC(=O)c1ccc(Cl)nc1 CC(C)CC[*:1] C[C@H](NC(=O)c1ccc(Cl)nc1)[*:1]
CC(C)CC[C@H](C)NC(=O)c1ccc(Cl)nc1 CC(C)[*:1] C[C@@H](CC[*:1])NC(=O)c1ccc(Cl)nc1
CC(C)CC[C@H](C)NC(=O)c1ccc(Cl)nc1 CC(C)C[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(Cl)nc1
C[NH+](C)C1([C@H]([NH3+])CC2CCCC2)CCCC1 C1CCC(C1)[*:1] C[NH+](C)C1(CCCC1)[C@H]([NH3+])C[*:1]
CCCN1C(=O)c2c(C(=O)N3CCCCCC3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 CCC[*:1] C[C@@]1(Cn2cnc(C(=O)N3CCCCCC3)c2C(=O)N1[*:1])C(=O)NCc1ccc(F)cc1
CCCN1C(=O)c2c(C(=O)N3CCCCCC3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCN1C(=O)c2c(ncn2C[C@]1(C)C(=O)NC[*:1])C(=O)N1CCCCCC1
CCCN1C(=O)c2c(C(=O)N3CCCCCC3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCCN1C(=O)c2c(ncn2C[C@]1(C)C(=O)N[*:1])C(=O)N1CCCCCC1
CCCN1C(=O)c2c(C(=O)N3CCCCCC3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 O=C(NCc1ccc(F)cc1)[*:1] CCCN1C(=O)c2c(ncn2C[C@@]1(C)[*:1])C(=O)N1CCCCCC1
CCCN1C(=O)c2c(C(=O)N3CCCCCC3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 O=C(N1CCCCCC1)[*:1] CCCN1C(=O)c2c(ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1)[*:1]
CCCOCC[C@@]1(O)C[C@@H]1C CCC[*:1] C[C@H]1C[C@]1(O)CCO[*:1]
O=C(Nc1ccc2c(c1)CCC2)C1CCN(c2nnnn2-c2ccccc2)CC1 c1cc2CCCc2cc1[*:1] O=C(N[*:1])C1CCN(CC1)c1nnnn1-c1ccccc1
O=C(Nc1ccc2c(c1)CCC2)C1CCN(c2nnnn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc2CCCc2c1)C1CCN(CC1)c1nnnn1[*:1]
CC(C)[C@H]1C(=O)NCCN1CC(=O)NCCc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] CC(C)[C@H]1C(=O)NCCN1CC(=O)NCC[*:1]
CC(C)[C@H]1C(=O)NCCN1CC(=O)NCCc1cccc(Cl)c1Cl CC(C)[*:1] O=C(CN1CCNC(=O)[C@@H]1[*:1])NCCc1cccc(Cl)c1Cl
CC1=C([C@H](NC(=O)[C@@H]2[C@H](C)c3cc(F)ccc3N2C)C(=O)[O-])[C@@H](C)N=N1 O=C([O-])[*:1] CC1N=N[C@H](C)C=1[C@H](NC(=O)[C@@H]1[C@H](C)c2cc(F)ccc2N1C)[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCCOc2cccc(C)c2)c2c(C)cc(C)cc21 CC(=O)[*:1] Cc1cccc(c1)OCCCN1C(=O)[C@@](O)(C[*:1])c2cc(C)cc(C)c21
CC(=O)C[C@]1(O)C(=O)N(CCCOc2cccc(C)c2)c2c(C)cc(C)cc21 Cc1cccc(c1)OC[*:1] CC(=O)C[C@]1(O)C(=O)N(CC[*:1])c2c(C)cc(C)cc21
CC(=O)C[C@]1(O)C(=O)N(CCCOc2cccc(C)c2)c2c(C)cc(C)cc21 CC(=O)C[*:1] Cc1cccc(c1)OCCCN1C(=O)[C@@](O)(c2cc(C)cc(C)c21)[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCCOc2cccc(C)c2)c2c(C)cc(C)cc21 Cc1cccc(c1)[*:1] CC(=O)C[C@]1(O)C(=O)N(CCCO[*:1])c2c(C)cc(C)cc21
CC(=O)C[C@]1(O)C(=O)N(CCCOc2cccc(C)c2)c2c(C)cc(C)cc21 Cc1cccc(c1)O[*:1] CC(=O)C[C@]1(O)C(=O)N(CCC[*:1])c2c(C)cc(C)cc21
Cc1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 Cc1cccc(c1)[*:1] O=C1C(Cl)=C(N[*:1])C(=O)N1CCc1ccccc1
Cc1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC1C(=O)N(CC[*:1])C(=O)C=1Cl
Cc1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 c1ccc(cc1)CC[*:1] Cc1cccc(c1)NC1C(=O)N(C(=O)C=1Cl)[*:1]
Cc1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC1C(=O)N(C[*:1])C(=O)C=1Cl
Cc1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 Cc1cccc(c1)N[*:1] O=C1C(Cl)=C(C(=O)N1CCc1ccccc1)[*:1]
Cc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1)CC(C)(C)CC3=O c1coc(c1)[*:1] Cc1cc2c3C(=O)CC(C)(C)Cc3[nH]c2cc1S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCSCC1 O=[N+]([O-])[*:1] O=C(C1CCN(CC1)c1ccccc1[*:1])N1CCCSCC1
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1CCO[C@H](C1)c1cccc(F)c1
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(N[*:1])C(=O)N1CCO[C@H](C1)c1cccc(F)c1
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])C(=O)N1CCO[C@@H](C1)[*:1]
O=C(NCCNC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccccc1O Oc1ccccc1[*:1] O=C(NCCNC(=O)[*:1])[C@@H]1COc2ccc(F)cc2C1
O=C(NCC(=O)N1CCc2ccc(Cl)cc2C1)C1CCCC1 C1CCC(C1)[*:1] O=C(CNC(=O)[*:1])N1CCc2ccc(Cl)cc2C1
CCOc1ccc(CCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 CCO[*:1] O=C(CCc1ccc(cc1)[*:1])N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(-c2cc([N-]S(=O)(=O)c3c(C)noc3C)n[nH]2)s1 Cc1ccc(s1)[*:1] Cc1noc(C)c1S(=O)(=O)[N-]c1cc([nH]n1)[*:1]
Cc1ccc(-c2cc([N-]S(=O)(=O)c3c(C)noc3C)n[nH]2)s1 Cc1noc(C)c1[*:1] Cc1ccc(s1)-c1cc(n[nH]1)[N-]S(=O)(=O)[*:1]
c1ccc(Cn2cc[nH+]c2[C@@H]2CCCN(c3ncnc4c3CCC4)C2)cc1 c1nc2CCCc2c(n1)[*:1] c1ccc(cc1)Cn1cc[nH+]c1[C@@H]1CCCN(C1)[*:1]
c1ccc(Cn2cc[nH+]c2[C@@H]2CCCN(c3ncnc4c3CCC4)C2)cc1 c1ccc(cc1)C[*:1] c1nc2CCCc2c(n1)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
c1ccc(Cn2cc[nH+]c2[C@@H]2CCCN(c3ncnc4c3CCC4)C2)cc1 c1ccc(cc1)[*:1] c1nc2CCCc2c(n1)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
C[C@H](CN(C)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O)c1ccccc1 Cn1cc(cn1)[*:1] C[C@H](CN(C)CN1C(=O)C[C@H](C[*:1])C1=O)c1ccccc1
C[C@H](CN(C)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CN(C)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O)[*:1]
C[C@H](CN(C)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O)c1ccccc1 C[C@H](c1ccccc1)[*:1] CN(CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O)C[*:1]
C[C@H](CN(C)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O)c1ccccc1 Cn1cc(cn1)C[*:1] C[C@H](CN(C)CN1C(=O)C[C@H](C1=O)[*:1])c1ccccc1
CN(Cc1ccc(F)cc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 CN(Cc1ccc(F)cc1)C(=O)C1CCN(CC1)C(=O)[*:1]
CN(Cc1ccc(F)cc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(Cc1ccc(F)cc1)C(=O)C1CCN(CC1)C(=O)C=C[*:1]
CN(Cc1ccc(F)cc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 Fc1ccc(cc1)C[*:1] CN(C(=O)C1CCN(CC1)C(=O)/C=C/c1ccccc1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)C1CCN(CC1)C(=O)/C=C/c1ccccc1
c1nc(C2CCC2)sc1CN1CCS[C@@H]2CCCC[C@@H]21 C1CC(C1)[*:1] c1nc(sc1CN1CCS[C@@H]2CCCC[C@@H]21)[*:1]
O=C(Oc1ccccc1)c1cc2c(F)cccc2s1 c1ccc(cc1)[*:1] O=C(O[*:1])c1cc2c(F)cccc2s1
Cc1cc(C(F)(F)F)nn1CCc1cc(=O)n2ncc(-c3ccc(F)cc3)c2[nH]1 FC(F)(F)[*:1] Cc1cc(nn1CCc1cc(=O)n2ncc(-c3ccc(F)cc3)c2[nH]1)[*:1]
Cc1cc(C(F)(F)F)nn1CCc1cc(=O)n2ncc(-c3ccc(F)cc3)c2[nH]1 Fc1ccc(cc1)[*:1] Cc1cc(nn1CCc1cc(=O)n2ncc(c2[nH]1)[*:1])C(F)(F)F
OC[C@@H](O)[C@H](O)[C@H](O)c1cnn(-c2ccc(Br)cc2)n1 OC[C@@H](O)[*:1] O[C@H](c1cnn(n1)-c1ccc(Br)cc1)[C@@H](O)[*:1]
Fc1ccc(C[NH2+][C@H]2CCCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 Fc1ccc(cc1)[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCCC[C@@H]1[NH2+]C[*:1]
O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)NCc1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)NCc1cccc(c1)[*:1]
O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)NCc1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)NCc1cccc(c1)C[*:1]
O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccs2)c1 c1coc(c1)C[*:1] O=S(=O)(N[*:1])c1cccc(c1)NS(=O)(=O)c1cccs1
O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccs2)c1 c1csc(c1)[*:1] O=S(=O)(NCc1ccco1)c1cccc(c1)NS(=O)(=O)[*:1]
O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccs2)c1 c1coc(c1)[*:1] O=S(=O)(NC[*:1])c1cccc(c1)NS(=O)(=O)c1cccs1
N#Cc1ccc(C(F)(F)F)nc1N1CCCC[C@H]1CO FC(F)(F)[*:1] N#Cc1ccc(nc1N1CCCC[C@H]1CO)[*:1]
CC(C)c1noc([C@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)n1 CC(C)c1noc(n1)[*:1] C[C@H](NC(=O)c1ccc(cc1)CCC(C)(C)O)[*:1]
CC(C)c1noc([C@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)n1 CC(C)(O)[*:1] CC(C)c1noc(n1)[C@H](C)NC(=O)c1ccc(cc1)CC[*:1]
CC(C)c1noc([C@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)n1 CC(C)[*:1] C[C@H](NC(=O)c1ccc(cc1)CCC(C)(C)O)c1nc(no1)[*:1]
CC(C)c1noc([C@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)n1 CC(C)(O)C[*:1] CC(C)c1noc(n1)[C@H](C)NC(=O)c1ccc(cc1)C[*:1]
CC(C)c1noc([C@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)n1 CC(C)(O)CC[*:1] CC(C)c1noc(n1)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccnc1 Clc1ccc(cc1)[*:1] C=CCn1c(nnc1-c1cccnc1)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccnc1 C=CC[*:1] O=C(CSc1nnc(-c2cccnc2)n1[*:1])Nc1ccc(Cl)cc1
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccnc1 c1cncc(c1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1ccc(Cl)cc1
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)N[C@@H](c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(Cn1cc(ccc1=O)S(=O)(=O)N1CCCC1)N[C@@H](c1cccs1)[*:1]
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)N[C@@H](c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(Cn1cc(ccc1=O)S(=O)(=O)N1CCCC1)N[C@@H](c1ccccc1)[*:1]
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)N[C@@H](c1ccccc1)c1cccs1 O=S(=O)(N1CCCC1)[*:1] O=C(Cn1cc(ccc1=O)[*:1])N[C@@H](c1ccccc1)c1cccs1
C[C@H](OC(=O)c1cccnc1)C(=O)NC[C@H](C)c1ccccc1 c1cncc(c1)[*:1] C[C@H](OC(=O)[*:1])C(=O)NC[C@H](C)c1ccccc1
C[C@H](OC(=O)c1cccnc1)C(=O)NC[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](OC(=O)c1cccnc1)C(=O)NC[C@H](C)[*:1]
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1 C1CN(CCO1)[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1 O=C(c1ccc(Br)cc1)[*:1] O=C1C([O-])=C([C@@H](c2cccc(O)c2)N1CCN1CCOCC1)[*:1]
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1 C1CN(CCO1)C[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccc(O)c2)N1CCN1CCOCC1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1 C1CN(CCO1)CC[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1cccc(O)c1)[*:1])c1ccc(Br)cc1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1 Oc1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1[*:1])c1ccc(Br)cc1
C/C(=N\O)C(C)(C)SC1CCCCC1 CC(=NO)[*:1] CC(C)(SC1CCCCC1)[*:1]
Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1cc(cc(C)c1NC(=O)c1ccnc(c1)[*:1])N(C)C
Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccnc(OC(C)(C)C)c1 CN(C)[*:1] Cc1cc(cc(C)c1NC(=O)c1ccnc(c1)OC(C)(C)C)[*:1]
Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cc(cc(C)c1NC(=O)c1ccnc(c1)O[*:1])N(C)C
COc1cc(NC(=O)/C=C/c2cccs2)cc(OC)c1OC c1csc(c1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)C=C[*:1]
COc1cc(NC(=O)/C=C/c2cccs2)cc(OC)c1OC C(=C[*:1])c1cccs1 COc1cc(cc(OC)c1OC)NC(=O)[*:1]
C=CCNC(=O)Cn1c(-c2ccc(F)cc2)nc2ccccc21 C=CCNC(=O)[*:1] Fc1ccc(cc1)-c1nc2ccccc2n1C[*:1]
C=CCNC(=O)Cn1c(-c2ccc(F)cc2)nc2ccccc21 C=CC[*:1] O=C(Cn1c(nc2ccccc21)-c1ccc(F)cc1)N[*:1]
C=CCNC(=O)Cn1c(-c2ccc(F)cc2)nc2ccccc21 C=CCNC(=O)C[*:1] Fc1ccc(cc1)-c1nc2ccccc2n1[*:1]
C=CCNC(=O)Cn1c(-c2ccc(F)cc2)nc2ccccc21 Fc1ccc(cc1)[*:1] C=CCNC(=O)Cn1c(nc2ccccc21)[*:1]
CCCOc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 CCC[*:1] O=C(NCc1ccc(cc1)O[*:1])Nc1ccccc1Cl
CCCOc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCCOc1ccc(cc1)CNC(=O)N[*:1]
CCCOc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 CCCO[*:1] O=C(NCc1ccc(cc1)[*:1])Nc1ccccc1Cl
CCOc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 CCO[*:1] C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(cc1)[*:1])C(C)(C)C[NH+](C)C
COc1ccc(C(=O)NN)cc1S(=O)(=O)N(C)C NNC(=O)[*:1] COc1ccc(cc1S(=O)(=O)N(C)C)[*:1]
COc1ccc(C(=O)NN)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)NN
NC(=O)C1CCN(CCC[NH2+]Cc2ccc3ccccc3c2)CC1 NC(=O)[*:1] c1ccc2cc(ccc2c1)C[NH2+]CCCN1CCC(CC1)[*:1]
O=C(CNc1nc(C2CC2)no1)N1CCc2sccc2C1 C1CC1[*:1] O=C(CNc1nc(no1)[*:1])N1CCc2sccc2C1
COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1 Cc1cc(C)c2nc(sc2c1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2ccc(C)o2)=C([O-])C(=O)N1[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1 Cc1ccc(o1)C(=O)[*:1] COc1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1c1nc2c(C)cc(C)cc2s1)[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nc2c(C)cc(C)cc2s1
COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@H]1[*:1]
CC(C)Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1 c1csc(n1)[*:1] CC(C)Cn1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
CC(C)Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CC(C)Cn1c(nnc1[*:1])SCC(=O)Nc1nccs1
CC(C)Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1 CC(C)C[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])Nc1nccs1
CC(C)Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1 O=C(Nc1nccs1)[*:1] CC(C)Cn1c(nnc1-c1ccncc1)SC[*:1]
CC(C)Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1 CC(C)[*:1] O=C(CSc1nnc(-c2ccncc2)n1C[*:1])Nc1nccs1
FC(F)c1nnc2ccc(Nc3ccc(NCC4CCCC4)cc3)nn12 C1CCC(C1)CN[*:1] FC(F)c1nnc2ccc(nn12)Nc1ccc(cc1)[*:1]
FC(F)c1nnc2ccc(Nc3ccc(NCC4CCCC4)cc3)nn12 FC(F)[*:1] c1cc(ccc1NCC1CCCC1)Nc1ccc2nnc(n2n1)[*:1]
FC(F)c1nnc2ccc(Nc3ccc(NCC4CCCC4)cc3)nn12 C1CCC(C1)[*:1] FC(F)c1nnc2ccc(nn12)Nc1ccc(cc1)NC[*:1]
FC(F)c1nnc2ccc(Nc3ccc(NCC4CCCC4)cc3)nn12 C1CCC(C1)C[*:1] FC(F)c1nnc2ccc(nn12)Nc1ccc(cc1)N[*:1]
O=C([C@H]1CC12CCCC2)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 c1cncc(c1)C[*:1] O=C([C@H]1CC12CCCC2)N1CCC(CC1)c1[nH+]ccn1[*:1]
O=C([C@H]1CC12CCCC2)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 c1cncc(c1)[*:1] O=C([C@H]1CC12CCCC2)N1CCC(CC1)c1[nH+]ccn1C[*:1]
C[C@@H](NC(=O)c1cc(Br)cs1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)c1cc(Br)cs1)[*:1]
CCCOc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CCCOc1ccc(cc1)NC(=O)CO[*:1]
CCCOc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 CCC[*:1] O=C(COc1ccc(Br)cc1)Nc1ccc(cc1)O[*:1]
CCCOc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 CCCO[*:1] O=C(COc1ccc(Br)cc1)Nc1ccc(cc1)[*:1]
CC(C)(C)[NH2+]C[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl CC(C)(C)[*:1] Clc1ccc(c(Cl)c1)[C@H]1OCCC[C@H]1C[NH2+][*:1]
Cc1nc2ccccc2n1CCSc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2ccccc2n1CCS[*:1]
Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)C(=O)Oc1cc(C)c2C(=O)C(=C[*:1])Oc2c1
Cc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(cc2O/C(=C\c3ccncc3)C(=O)c12)OC(=O)[*:1]
Brc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCN(c2ccccn2)C1 c1ccc(nc1)[*:1] Brc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCN(C1)[*:1]
N#Cc1ccccc1NC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 N#Cc1ccccc1[*:1] O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)N[*:1]
O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccc(Cl)cc1)NCc1ccccn1 Clc1ccc(cc1)S[*:1] O=C(CC1=c2ccccc2=[NH+][C@H]1[*:1])NCc1ccccn1
O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccc(Cl)cc1)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccc(Cl)cc1)NC[*:1]
O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccc(Cl)cc1)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccc(Cl)cc1)N[*:1]
O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccc(Cl)cc1)NCc1ccccn1 Clc1ccc(cc1)[*:1] O=C(CC1=c2ccccc2=[NH+][C@@H]1S[*:1])NCc1ccccn1
C[C@H](CC(=O)[O-])c1ccc(O)cc1 O=C([O-])[*:1] C[C@H](C[*:1])c1ccc(O)cc1
C[C@H](CC(=O)[O-])c1ccc(O)cc1 O=C([O-])C[*:1] C[C@H](c1ccc(O)cc1)[*:1]
Cc1ccc(C)n1N(C)c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] Cc1ccc(C)n1N(C)c1ccc(cn1)[*:1]
O=S(=O)(/N=C(\[O-])CCc1ccc(Cl)cc1)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])c1ccc(F)cc1
O=S(=O)(/N=C(\[O-])CCc1ccc(Cl)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])CCc1ccc(Cl)cc1)[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)OCC(N)=O)c1 NC(=O)C[*:1] C[C@H]1C[C@@H]1C(=O)Nc1cccc(c1)C(=O)O[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)OCC(N)=O)c1 NC(=O)[*:1] C[C@H]1C[C@@H]1C(=O)Nc1cccc(c1)C(=O)OC[*:1]
Cc1nnc(Sc2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c3ccccc3n2)s1 Cc1nnc(s1)[*:1] C[C@@H](NC(=O)c1cc(nc2ccccc12)S[*:1])c1ccc2OCCOc2c1
Cc1nnc(Sc2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c3ccccc3n2)s1 Cc1nnc(S[*:1])s1 C[C@@H](NC(=O)c1cc(nc2ccccc12)[*:1])c1ccc2OCCOc2c1
Cc1nnc(Sc2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c3ccccc3n2)s1 c1cc2OCCOc2cc1[*:1] Cc1nnc(Sc2cc(C(=O)N[C@H](C)[*:1])c3ccccc3n2)s1
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1[*:1]
CCc1[nH]ncc1C(=O)N(CC)Cc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCc1[nH]ncc1C(=O)N(CC)Cc1cccc(c1)[*:1]
CCc1[nH]ncc1C(=O)N(CC)Cc1cccc([N+](=O)[O-])c1 CCc1[nH]ncc1[*:1] CCN(Cc1cccc(c1)[N+](=O)[O-])C(=O)[*:1]
Nc1nc(COC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] Nc1nc(COC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)nc(n1)[*:1]
Nc1nc(COC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] Nc1nc(COC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)nc(n1)N[*:1]
CCCOc1cccc(CNC(=O)N[C@@H](C)c2nncn2C)c1 CCCO[*:1] C[C@H](NC(=O)NCc1cccc(c1)[*:1])c1nncn1C
CCCOc1cccc(CNC(=O)N[C@@H](C)c2nncn2C)c1 CCC[*:1] C[C@H](NC(=O)NCc1cccc(c1)O[*:1])c1nncn1C
CCCOc1cccc(CNC(=O)N[C@@H](C)c2nncn2C)c1 Cn1cnnc1[*:1] CCCOc1cccc(c1)CNC(=O)N[C@@H](C)[*:1]
C[C@H]([NH2+]CCc1ccccc1)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+]CCc1ccccc1)[C@@H](C)[*:1]
CN(Cc1cnc(Cl)nc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 Clc1ncc(c(Cl)n1)[*:1] CN(C[*:1])C1CCN(CC1)C(=O)OC(C)(C)C
CN(Cc1cnc(Cl)nc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CN(Cc1cnc(Cl)nc1Cl)C1CCN(CC1)C(=O)O[*:1]
CC1(C)S[C@@H](c2ccsc2)N[C@@H]1C(=O)[O-] c1cc(cs1)[*:1] CC1(C)S[C@@H](N[C@@H]1C(=O)[O-])[*:1]
CC1(C)S[C@@H](c2ccsc2)N[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)S[C@H](N[C@H]1[*:1])c1ccsc1
CC(=O)N1CCC(C(=O)Nc2cccnc2-n2cccn2)CC1 c1cnn(c1)[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1cccnc1[*:1]
Cc1nn(C)c(C)c1CCCNC(=O)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CCCNC(=O)NNC(=O)[*:1]
Cc1nn(C)c(C)c1CCCNC(=O)NNC(=O)c1ccccc1 Cc1nn(C)c(C)c1[*:1] O=C(NCCC[*:1])NNC(=O)c1ccccc1
CCOCc1ccccc1NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 CCOC[*:1] O=C(Nc1ccccc1[*:1])N1CCC(CC1)OC[C@H]1CCCCO1
CCOCc1ccccc1NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 CCO[*:1] O=C(Nc1ccccc1C[*:1])N1CCC(CC1)OC[C@H]1CCCCO1
O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] O=C(Nc1ccc(cc1)C[NH+]1CCCC1)[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1C[C@@H]1c1cccc(Cl)c1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1F)[*:1])[C@@H]1C[C@@H]1c1cccc(Cl)c1
O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nc1cc(ccc1F)[N+](=O)[O-])[C@@H]1C[C@H]1[*:1]
CN(C(=O)CSc1nc2ncccc2o1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CSc1nc2ncccc2o1)[*:1]
CC(C)NC(=O)N1CCC[C@](C)(C(=O)NCc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] CC(C)NC(=O)N1CCC[C@@](C)(C1)C(=O)N[*:1]
CC(C)NC(=O)N1CCC[C@](C)(C(=O)NCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC(C)NC(=O)N1CCC[C@@](C)(C1)C(=O)NC[*:1]
CC(C)NC(=O)N1CCC[C@](C)(C(=O)NCc2ccc(F)cc2)C1 CC(C)[*:1] C[C@@]1(CCCN(C1)C(=O)N[*:1])C(=O)NCc1ccc(F)cc1
CCc1ccsc1CNC(=O)[C@@H](C)C#N C[C@@H](C#N)[*:1] CCc1ccsc1CNC(=O)[*:1]
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](Cc1cccc(OC)c1)C3 COc1cccc(c1)[*:1] COC(=O)Cc1c(C)c2cc3C[NH+](COc3c(C)c2oc1=O)C[*:1]
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](Cc1cccc(OC)c1)C3 COc1cccc(c1)C[*:1] COC(=O)Cc1c(C)c2cc3C[NH+](COc3c(C)c2oc1=O)[*:1]
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](Cc1cccc(OC)c1)C3 COC(=O)C[*:1] COc1cccc(c1)C[NH+]1COc2c(cc3c(C)c(c(=O)oc3c2C)[*:1])C1
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](Cc1cccc(OC)c1)C3 COC(=O)[*:1] COc1cccc(c1)C[NH+]1COc2c(cc3c(C)c(C[*:1])c(=O)oc3c2C)C1
OCCC[NH2+][C@@H]1CCOC2(CCOCC2)C1 OCCC[*:1] C1CC2(CCO1)C[C@@H](CCO2)[NH2+][*:1]
OCCC[NH2+][C@@H]1CCOC2(CCOCC2)C1 OCC[*:1] C1CC2(CCO1)C[C@@H](CCO2)[NH2+]C[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)N(CCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NS(C)(=O)=O)C(=O)N(CC[*:1])c1ccccc1
C[C@@H](NS(C)(=O)=O)C(=O)N(CCc1ccccc1)c1ccccc1 CS(=O)(=O)N[*:1] C[C@@H](C(=O)N(CCc1ccccc1)c1ccccc1)[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)N(CCc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](NS(C)(=O)=O)C(=O)N(C[*:1])c1ccccc1
C[C@@H](NS(C)(=O)=O)C(=O)N(CCc1ccccc1)c1ccccc1 c1ccc(cc1)CC[*:1] C[C@@H](NS(C)(=O)=O)C(=O)N(c1ccccc1)[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)N(CCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NS(C)(=O)=O)C(=O)N(CCc1ccccc1)[*:1]
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+]1CCOCC1)[C@@H]3c1ccccc1F Fc1ccccc1[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+]1CCOCC1)[C@H]3[*:1]
O=C(NCc1noc(-c2ccc(C(F)(F)F)cn2)n1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1noc(n1)-c1ccc(cn1)C(F)(F)F)N[*:1]
O=C(NCc1noc(-c2ccc(C(F)(F)F)cn2)n1)Nc1ccccc1 FC(F)(F)[*:1] O=C(NCc1noc(n1)-c1ccc(cn1)[*:1])Nc1ccccc1
O=C(CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] c1ccc(cc1)C(c1ccccc1)N1CC[NH+](CC1)CC[*:1]
O=C(CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CC[NH+]1CCN(CC1)C(c1ccccc1)c1ccccc1)N[*:1]
O=C(CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)C(c1ccccc1)[*:1])Nc1ccccc1F
CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CC(C)(C)C CC(C)(C)[*:1] CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)C[*:1]
CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CC(C)(C)C CC(C)(C)C[*:1] CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)[*:1]
CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CC(C)(C)C c1ccc(cc1)[*:1] CC(=O)N1CC[C@H]([C@@H]2[C@H]1CCCCN2C(=O)CC(C)(C)C)[*:1]
CCc1ncc(C[NH2+]CC2CCC(C(N)=O)CC2)s1 NC(=O)[*:1] CCc1ncc(C[NH2+]CC2CCC(CC2)[*:1])s1
O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)c1cccnc1 c1cncc(c1)[*:1] O=C(NCCn1ncc2c(ncnc21)N1CCCCCC1)[*:1]
O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)c1cccnc1 C1CCCN(CC1)[*:1] O=C(NCCn1ncc2c(ncnc21)[*:1])c1cccnc1
O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)c1cccnc1 O=C(N[*:1])c1cccnc1 c1nc(c2cnn(CC[*:1])c2n1)N1CCCCCC1
CCSCCSc1nc2ccccc2[nH]1 CCS[*:1] c1ccc2[nH]c(nc2c1)SCC[*:1]
CCSCCSc1nc2ccccc2[nH]1 CCSC[*:1] c1ccc2[nH]c(nc2c1)SC[*:1]
CCSCCSc1nc2ccccc2[nH]1 CCSCC[*:1] c1ccc2[nH]c(nc2c1)S[*:1]
COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)Oc1ccccc1)[*:1]
COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1)O[*:1]
Cc1c(C(=O)N(C)C)sc2ncn3nc([C@H]4C[C@@H]4c4ccc(Cl)cc4)nc3c12 Clc1ccc(cc1)[*:1] Cc1c(sc2ncn3nc(nc3c12)[C@H]1C[C@H]1[*:1])C(=O)N(C)C
Cc1c(C(=O)N(C)C)sc2ncn3nc([C@H]4C[C@@H]4c4ccc(Cl)cc4)nc3c12 CN(C)C(=O)[*:1] Cc1c(sc2ncn3nc(nc3c12)[C@H]1C[C@@H]1c1ccc(Cl)cc1)[*:1]
CS(=O)(=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 CS(=O)(=O)[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)c(Cl)c1
CS(=O)(=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 Fc1ccc(cc1Cl)[*:1] CS(=O)(=O)c1ccccc1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)[C@@H](CC)c1nc(CC(F)(F)F)no1 FC(F)(F)C[*:1] CCOC(=O)[C@@H](CC)c1nc(no1)[*:1]
CCOC(=O)[C@@H](CC)c1nc(CC(F)(F)F)no1 FC(F)(F)[*:1] CCOC(=O)[C@@H](CC)c1nc(C[*:1])no1
CCOC(=O)[C@@H](CC)c1nc(CC(F)(F)F)no1 CCOC(=O)[*:1] CC[C@@H](c1nc(CC(F)(F)F)no1)[*:1]
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCc2c(C(N)=O)cccc21 N#Cc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)N1CCCc2c(cccc21)C(N)=O
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCc2c(C(N)=O)cccc21 NC(=O)[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCc2c1cccc2[*:1]
Cc1ccc([N+](=O)[O-])c(NCc2ccc(S(N)(=O)=O)cc2)c1 NS(=O)(=O)[*:1] Cc1ccc(c(c1)NCc1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NCc2ccc(S(N)(=O)=O)cc2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)NCc1ccc(cc1)S(N)(=O)=O)[*:1]
CCN(CC)C(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O CCN(CC)C(=O)[*:1] O=C1c2ccccc2[S@](=O)c2ccc(cc2N1Cc1cccc(Cl)c1)[*:1]
CCN(CC)C(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O Clc1cccc(c1)[*:1] CCN(CC)C(=O)c1ccc2c(c1)N(C[*:1])C(=O)c1ccccc1[S@@]2=O
CCN(CC)C(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O Clc1cccc(c1)C[*:1] CCN(CC)C(=O)c1ccc2c(c1)N(C(=O)c1ccccc1[S@@]2=O)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N(Cc2ccccc2)CC(F)F)C1 FC(F)C[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N(Cc1ccccc1)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N(Cc2ccccc2)CC(F)F)C1 FC(F)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N(Cc1ccccc1)C[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N(Cc2ccccc2)CC(F)F)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N(CC(F)F)C[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N(Cc2ccccc2)CC(F)F)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N(CC(F)F)[*:1]
Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccco3)CC2)c(C)c1 c1coc(c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CC[NH+](CC1)C[*:1]
Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccco3)CC2)c(C)c1 c1coc(c1)C[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CC[NH+](CC1)[*:1]
O=C(C[C@@H]1C=CCC1)NC[C@@H](c1cccc(F)c1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(C[C@@H]1C=CCC1)NC[C@@H](c1cccc(F)c1)[*:1]
O=C(C[C@@H]1C=CCC1)NC[C@@H](c1cccc(F)c1)N1CCOCC1 Fc1cccc(c1)[*:1] O=C(C[C@@H]1C=CCC1)NC[C@@H](N1CCOCC1)[*:1]
COc1ccc([C@H]2C(C(=O)Nc3cc(OC)c(Cl)cc3OC)=C(C)Nc3nnnn32)cc1 COc1ccc(cc1)[*:1] COc1cc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2[*:1])c(cc1Cl)OC
COc1ccc(C[C@@H](C)CNC(=O)/C=C/c2cnc3ccccc3n2)cc1 COc1ccc(cc1)[*:1] C[C@@H](CNC(=O)/C=C/c1cnc2ccccc2n1)C[*:1]
COc1ccc(C[C@@H](C)CNC(=O)/C=C/c2cnc3ccccc3n2)cc1 COc1ccc(cc1)C[*:1] C[C@@H](CNC(=O)/C=C/c1cnc2ccccc2n1)[*:1]
CN(C)C(=O)C1CCN(S(=O)(=O)CC2CCC2)CC1 C1CC(C1)C[*:1] CN(C)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CN(C)C(=O)C1CCN(S(=O)(=O)CC2CCC2)CC1 CN(C)C(=O)[*:1] O=S(=O)(CC1CCC1)N1CCC(CC1)[*:1]
CN(C)C(=O)C1CCN(S(=O)(=O)CC2CCC2)CC1 C1CC(C1)[*:1] CN(C)C(=O)C1CCN(CC1)S(=O)(=O)C[*:1]
CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[*:1]
CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1Cc1ccccc1 CC(=O)N[C@H](C)[*:1] O=C(N1CCC[C@@H]1Cc1ccccc1)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1Cc1ccccc1 CC(=O)N[*:1] C[C@H](C(=O)N1CCC[C@@H]1Cc1ccccc1)[*:1]
COc1cc2ncnc(NCc3ccccc3F)c2cc1OC Fc1ccccc1[*:1] COc1cc2ncnc(NC[*:1])c2cc1OC
COc1cccc(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1cc(C)cc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)CN1C(=O)N[C@H](C1=O)[*:1]
Cc1cc(C)cc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)CN1C(=O)N[C@H](C[*:1])C1=O
CC(=O)Nc1ccc(NC(=O)CCc2c(C)noc2C)cc1 CC(=O)N[*:1] Cc1noc(C)c1CCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CCc2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CC[*:1]
CCOc1ccc(Cl)c(C(=O)NCc2n[nH]c(=S)n2C(C)C)n1 CCO[*:1] CC(C)n1c(CNC(=O)c2nc(ccc2Cl)[*:1])n[nH]c1=S
CCOc1ccc(Cl)c(C(=O)NCc2n[nH]c(=S)n2C(C)C)n1 CC(C)[*:1] CCOc1ccc(Cl)c(n1)C(=O)NCc1n[nH]c(=S)n1[*:1]
Cc1ccc(N2C(SCc3cccc(C)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1ccc(N2C(SCc3cccc(C)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)N1C(=N[C@H]2CS(=O)(=O)C[C@H]21)SC[*:1]
Cc1ccc(N2C(SCc3cccc(C)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1)N1C(=N[C@H]2CS(=O)(=O)C[C@H]21)S[*:1]
C[C@H](Sc1nnnn1C1CCCC1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnnn1C1CCCC1)C(=O)N(C)C[*:1]
C[C@H](Sc1nnnn1C1CCCC1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Sc1nnnn1C1CCCC1)C(=O)N(C)[*:1]
C[C@H](Sc1nnnn1C1CCCC1)C(=O)N(C)Cc1ccccc1 C1CCC(C1)[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)N(C)Cc1ccccc1
C[C@@H](c1ccc(F)cc1)S(=O)(=O)CC(=O)N(C)CC1CCCCC1 Fc1ccc(cc1)[*:1] C[C@@H](S(=O)(=O)CC(=O)N(C)CC1CCCCC1)[*:1]
C[C@@H](c1ccc(F)cc1)S(=O)(=O)CC(=O)N(C)CC1CCCCC1 C1CCC(CC1)C[*:1] C[C@@H](c1ccc(F)cc1)S(=O)(=O)CC(=O)N(C)[*:1]
C[C@@H](c1ccc(F)cc1)S(=O)(=O)CC(=O)N(C)CC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](c1ccc(F)cc1)S(=O)(=O)CC(=O)N(C)C[*:1]
Nn1c(SCC(=O)N2CCCC2)nnc1-c1ccco1 c1coc(c1)[*:1] Nn1c(nnc1[*:1])SCC(=O)N1CCCC1
Cc1ccc(C(=O)[C@H](C)Oc2ccc3ccc(=O)oc3c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)[*:1]
Cc1csc(N2CCC[NH+](CCCc3csc(C)n3)CC2)n1 Cc1nc(cs1)C[*:1] Cc1csc(n1)N1CCC[NH+](CC1)CC[*:1]
Cc1csc(N2CCC[NH+](CCCc3csc(C)n3)CC2)n1 Cc1nc(cs1)[*:1] Cc1csc(n1)N1CCC[NH+](CCC[*:1])CC1
Cc1csc(N2CCC[NH+](CCCc3csc(C)n3)CC2)n1 Cc1csc(n1)[*:1] Cc1nc(cs1)CCC[NH+]1CCCN(CC1)[*:1]
CCOC(=O)C1=NC(C)=N[C@@H]1C(=O)OCC CCOC(=O)[*:1] CCOC(=O)C1=NC(C)=N[C@H]1[*:1]
COc1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)cc(OC)c1C CN(C)S(=O)(=O)[*:1] COc1cc(cc(OC)c1C)C(=O)Nc1cc(ccc1O)[*:1]
CCC[NH+]1CCCN(C(=O)NCCc2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] CCC[NH+]1CCCN(CC1)C(=O)NCC[*:1]
CCC[NH+]1CCCN(C(=O)NCCc2ccc(O)cc2)CC1 CCC[*:1] O=C(NCCc1ccc(O)cc1)N1CCC[NH+](CC1)[*:1]
CCn1c(=O)c(C(=O)NCCc2cccc(OC)c2)cc2cccnc21 COc1cccc(c1)[*:1] CCn1c(=O)c(cc2cccnc21)C(=O)NCC[*:1]
CCN(C(=O)[C@H](C)N[C@@H](c1ccccc1)c1ccco1)[C@@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] CCN(C(=O)[C@H](C)N[C@@H](c1ccccc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCN(C(=O)[C@H](C)N[C@@H](c1ccccc1)c1ccco1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)[C@H](C)N[C@@H](c1ccccc1)c1ccco1)[*:1]
CCN(C(=O)[C@H](C)N[C@@H](c1ccccc1)c1ccco1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCN(C(=O)[C@H](C)N[C@@H](c1ccco1)[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(-n2nnc(C)c2C(=O)Nc2cc(OC)cc(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)c1c(C)nnn1[*:1]
CC(=O)N[C@H]1CCCN(C(=O)Nc2c(C)cccc2OC(F)F)C1 FC(F)[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)Nc1c(C)cccc1O[*:1]
CC(=O)N[C@H]1CCCN(C(=O)Nc2c(C)cccc2OC(F)F)C1 CC(=O)N[*:1] Cc1cccc(OC(F)F)c1NC(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)Nc2c(C)cccc2OC(F)F)C1 FC(F)O[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)Nc1c(C)cccc1[*:1]
Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 FC(F)(F)[*:1] Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C2)[*:1])c(C)c1
CC(C)(CNC(=O)Nc1ccc(F)cc1OCC(F)F)c1ccncc1 FC(F)CO[*:1] CC(C)(CNC(=O)Nc1ccc(F)cc1[*:1])c1ccncc1
CC(C)(CNC(=O)Nc1ccc(F)cc1OCC(F)F)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)Nc1ccc(F)cc1OCC(F)F)[*:1]
CC(C)(CNC(=O)Nc1ccc(F)cc1OCC(F)F)c1ccncc1 FC(F)C[*:1] CC(C)(CNC(=O)Nc1ccc(F)cc1O[*:1])c1ccncc1
CC(C)(CNC(=O)Nc1ccc(F)cc1OCC(F)F)c1ccncc1 FC(F)[*:1] CC(C)(CNC(=O)Nc1ccc(F)cc1OC[*:1])c1ccncc1
CO[C@@H](C(=O)NCCSc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] CO[C@@H](C(=O)NCCS[*:1])c1ccccc1
CO[C@@H](C(=O)NCCSc1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)NCCSc1ccc(Cl)cc1)[*:1]
CCCNC(=O)CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 CCC[*:1] O=C(CNC(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F)N[*:1]
CCCNC(=O)CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 FC(F)(F)[*:1] CCCNC(=O)CNC(=O)Nc1cc(ccc1N1CCOCC1)[*:1]
CCCNC(=O)CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 CCCNC(=O)[*:1] O=C(NC[*:1])Nc1cc(ccc1N1CCOCC1)C(F)(F)F
CCCNC(=O)CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 CCCNC(=O)C[*:1] O=C(Nc1cc(ccc1N1CCOCC1)C(F)(F)F)N[*:1]
CCCNC(=O)CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 C1CN(CCO1)[*:1] CCCNC(=O)CNC(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CCc1ccsc1CN[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] CCc1ccsc1CN[C@H]1CCN(C1)C[*:1]
CCc1ccsc1CN[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] CCc1ccsc1CN[C@H]1CCN(C1)[*:1]
CCN1C[C@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)Oc2ccccc21 COc1ccc(cc1)[*:1] CCN1C[C@H](CN(C)S(=O)(=O)[*:1])Oc2ccccc21
CC(C)[C@H](C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1)c1ccccc1 CC(C)[*:1] C[C@@H](CNC(=O)[C@H](c1ccccc1)[*:1])c1nc(no1)-c1ccccc1
CC(C)[C@H](C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C(=O)NC[C@H](C)c1nc(no1)-c1ccccc1)[*:1]
CC(C)[C@H](C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C(=O)NC[C@H](C)c1nc(no1)[*:1])c1ccccc1
CN(C)C(=O)N1CCC(C(=O)NNc2nc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)NNc1nc(no1)[*:1]
C(=N/Nc1nc(SC2CCCC2)n[nH]1)\c1cccnc1 C1CCC(C1)[*:1] C(=N/Nc1nc(n[nH]1)S[*:1])\c1cccnc1
C(=N/Nc1nc(SC2CCCC2)n[nH]1)\c1cccnc1 c1cncc(c1)[*:1] C(=NNc1nc(n[nH]1)SC1CCCC1)[*:1]
C(=N/Nc1nc(SC2CCCC2)n[nH]1)\c1cccnc1 C1CCC(C1)S[*:1] C(=N/Nc1nc(n[nH]1)[*:1])\c1cccnc1
CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl Fc1ccc(cc1)[*:1] CCCOc1cc(ccc1Cl)S(=O)(=O)N1CCN(CC1)[*:1]
CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl CCC[*:1] O=S(=O)(c1ccc(Cl)c(c1)O[*:1])N1CCN(CC1)c1ccc(F)cc1
CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl CCCO[*:1] O=S(=O)(c1ccc(Cl)c(c1)[*:1])N1CCN(CC1)c1ccc(F)cc1
C=CCCOCC(=O)N(C)CCC#N N#CC[*:1] C=CCCOCC(=O)N(C)C[*:1]
C=CCCOCC(=O)N(C)CCC#N C=CCC[*:1] CN(CCC#N)C(=O)CO[*:1]
C=CCCOCC(=O)N(C)CCC#N N#CCC[*:1] C=CCCOCC(=O)N(C)[*:1]
C=CCCOCC(=O)N(C)CCC#N C=CC[*:1] CN(CCC#N)C(=O)COC[*:1]
O=C(Nc1cccc(Cn2cccn2)c1)C1CCCC1 c1cnn(c1)[*:1] O=C(Nc1cccc(c1)C[*:1])C1CCCC1
O=C(Nc1cccc(Cn2cccn2)c1)C1CCCC1 c1cnn(c1)C[*:1] O=C(Nc1cccc(c1)[*:1])C1CCCC1
O=C(Nc1cccc(Cn2cccn2)c1)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)Cn1cccn1)[*:1]
CCCN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C/c1ccncc1 CCC[*:1] O=C(/C=C/c1ccncc1)N(C[C@@H]1COc2ccccc2O1)[*:1]
CCCN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C/c1ccncc1 c1cc(ccn1)[*:1] CCCN(C[C@@H]1COc2ccccc2O1)C(=O)C=C[*:1]
CCCN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C/c1ccncc1 C(=C[*:1])c1ccncc1 CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[*:1]
CC(C)[C@H](C)NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 CC(C)[C@H](C)[*:1] C[C@](CO)([NH2+]CC(=O)N[*:1])C1CCCCC1
CC(C)[C@H](C)NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 CC(C)[*:1] C[C@H](NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1)[*:1]
CC(C)[C@H](C)NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 C1CCC(CC1)[*:1] CC(C)[C@H](C)NC(=O)C[NH2+][C@](C)(CO)[*:1]
C[C@H]1CN(CCCSCC#N)c2ccccc2NC1=O N#CCSCC[*:1] C[C@H]1CN(C[*:1])c2ccccc2NC1=O
C[C@H]1CN(CCCSCC#N)c2ccccc2NC1=O N#CCS[*:1] C[C@H]1CN(CCC[*:1])c2ccccc2NC1=O
C[C@H]1CN(CCCSCC#N)c2ccccc2NC1=O N#CC[*:1] C[C@H]1CN(CCCS[*:1])c2ccccc2NC1=O
C[C@H]1CN(CCCSCC#N)c2ccccc2NC1=O N#CCSC[*:1] C[C@H]1CN(CC[*:1])c2ccccc2NC1=O
CO/N=C/C(C#N)=C/c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cn1C CON=C[*:1] Cn1cc(cc1/C=C(\C#N)[*:1])C(=O)c1ccc(cc1)[N+](=O)[O-]
CO/N=C/C(C#N)=C/c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cn1C O=[N+]([O-])[*:1] CO/N=C/C(C#N)=C/c1cc(cn1C)C(=O)c1ccc(cc1)[*:1]
C#CCN(C(=O)Cc1cccc(OCC#N)c1)C1CCCC1 C1CCC(C1)[*:1] C#CCN(C(=O)Cc1cccc(c1)OCC#N)[*:1]
C#CCN(C(=O)Cc1cccc(OCC#N)c1)C1CCCC1 N#CC[*:1] C#CCN(C(=O)Cc1cccc(c1)O[*:1])C1CCCC1
C#CCN(C(=O)Cc1cccc(OCC#N)c1)C1CCCC1 C#CC[*:1] N#CCOc1cccc(c1)CC(=O)N(C1CCCC1)[*:1]
C#CCN(C(=O)Cc1cccc(OCC#N)c1)C1CCCC1 N#CCO[*:1] C#CCN(C(=O)Cc1cccc(c1)[*:1])C1CCCC1
COCCC[C@@H]1CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 COCC[*:1] O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC[C@H](C1)C[*:1]
COCCC[C@@H]1CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 COCCC[*:1] O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC[C@H](C1)[*:1]
COCCC[C@@H]1CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 COC[*:1] O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCC[C@@H](CC[*:1])C1
NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 NC(=O)[*:1] O=S(=O)(c1ccc2ccccc2c1)N1CCC[C@@H]1[*:1]
O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O O=C(NCc1ccco1)[*:1] O=C1c2ccccc2[S@](=O)c2ccc(cc2N1Cc1ccccc1)[*:1]
O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O c1coc(c1)[*:1] O=C(NC[*:1])c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O
O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O c1ccc(cc1)[*:1] O=C(NCc1ccco1)c1ccc2c(c1)N(C[*:1])C(=O)c1ccccc1[S@@]2=O
O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O c1ccc(cc1)C[*:1] O=C(NCc1ccco1)c1ccc2c(c1)N(C(=O)c1ccccc1[S@@]2=O)[*:1]
O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O c1coc(c1)C[*:1] O=C(N[*:1])c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O
CC[C@@H](NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1)[*:1]
C[C@@H]1CCN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c2ccccc2S1 Clc1cnc(c(Cl)c1Cl)[*:1] C[C@@H]1CCN(C(=O)COC(=O)[*:1])c2ccccc2S1
NC(=O)NCc1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1 NC(=O)NC[*:1] O=C(Nc1ccc(cc1)[*:1])C1C[C@@H](ON=1)c1ccccc1
NC(=O)NCc1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] NC(=O)NCc1ccc(cc1)NC(=O)C1C[C@H](ON=1)[*:1]
NC(=O)NCc1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1 NC(=O)N[*:1] O=C(Nc1ccc(cc1)C[*:1])C1C[C@@H](ON=1)c1ccccc1
CCN(CC)C(=O)c1ccccc1NC(=O)CN(C)C(=O)c1ccccc1 CCN(CC)C(=O)[*:1] CN(CC(=O)Nc1ccccc1[*:1])C(=O)c1ccccc1
CCN(CC)C(=O)c1ccccc1NC(=O)CN(C)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccccc1NC(=O)CN(C)C(=O)[*:1]
N/C(=N/O)[C@@H]1CCCC2=c3ccccc3=[NH+][C@@H]21 N/C(=N/O)[*:1] c1ccc2=C3CCC[C@H]([C@H]3[NH+]=c2c1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2sccc2SC(F)F)C1 FC(F)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1sccc1S[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2sccc2SC(F)F)C1 FC(F)S[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1sccc1[*:1]
O=C(CCSc1ccccc1)NCc1nn(C2CCCC2)c(=O)c2ccccc12 c1ccc(cc1)SC[*:1] O=C(C[*:1])NCc1nn(c(=O)c2ccccc12)C1CCCC1
O=C(CCSc1ccccc1)NCc1nn(C2CCCC2)c(=O)c2ccccc12 c1ccc(cc1)S[*:1] O=C(CC[*:1])NCc1nn(c(=O)c2ccccc12)C1CCCC1
O=C(CCSc1ccccc1)NCc1nn(C2CCCC2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] O=C(CCS[*:1])NCc1nn(c(=O)c2ccccc12)C1CCCC1
O=C(CCSc1ccccc1)NCc1nn(C2CCCC2)c(=O)c2ccccc12 C1CCC(C1)[*:1] O=C(CCSc1ccccc1)NCc1nn(c(=O)c2ccccc12)[*:1]
O=C(CCSc1ccccc1)NCc1nn(C2CCCC2)c(=O)c2ccccc12 c1ccc(cc1)SCC[*:1] O=C(NCc1nn(c(=O)c2ccccc12)C1CCCC1)[*:1]
O=C(CSCc1ccccc1Cl)Nc1ccc(NC(=O)c2ccccc2)c(O)c1 Clc1ccccc1[*:1] O=C(CSC[*:1])Nc1ccc(NC(=O)c2ccccc2)c(O)c1
O=C(CSCc1ccccc1Cl)Nc1ccc(NC(=O)c2ccccc2)c(O)c1 Clc1ccccc1C[*:1] O=C(CS[*:1])Nc1ccc(NC(=O)c2ccccc2)c(O)c1
O=C(CSCc1ccccc1Cl)Nc1ccc(NC(=O)c2ccccc2)c(O)c1 c1ccc(cc1)[*:1] O=C(CSCc1ccccc1Cl)Nc1ccc(NC(=O)[*:1])c(O)c1
O=C(CSCc1ccccc1Cl)Nc1ccc(NC(=O)c2ccccc2)c(O)c1 O=C(N[*:1])c1ccccc1 O=C(CSCc1ccccc1Cl)Nc1ccc(c(O)c1)[*:1]
O=C(CSCc1ccccc1Cl)Nc1ccc(NC(=O)c2ccccc2)c(O)c1 Clc1ccccc1CS[*:1] O=C(C[*:1])Nc1ccc(NC(=O)c2ccccc2)c(O)c1
C[NH2+][C@@H](CSc1ccccc1Cl)Cc1nc(C)cs1 Cc1csc(n1)[*:1] C[NH2+][C@@H](CSc1ccccc1Cl)C[*:1]
COc1ccc(-n2cc(CNC(=O)N(C3CC3)[C@@H](C)C(C)C)nn2)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](C)N(C(=O)NCc1cn(nn1)[*:1])C1CC1
COc1ccc(-n2cc(CNC(=O)N(C3CC3)[C@@H](C)C(C)C)nn2)cc1 CC(C)[*:1] COc1ccc(cc1)-n1cc(CNC(=O)N(C2CC2)[C@@H](C)[*:1])nn1
COc1ccc(-n2cc(CNC(=O)N(C3CC3)[C@@H](C)C(C)C)nn2)cc1 C1CC1[*:1] COc1ccc(cc1)-n1cc(CNC(=O)N([C@@H](C)C(C)C)[*:1])nn1
CC(C)(C)n1cc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cn1 CC(C)(C)n1cc(cn1)[*:1] O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)[*:1]
CC(C)(C)n1cc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cn1 Fc1ccc(cc1)[*:1] CC(C)(C)n1cc(cn1)C(=O)Nc1cccn(C[*:1])c1=O
CC(C)(C)n1cc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cn1 Fc1ccc(cc1)C[*:1] CC(C)(C)n1cc(cn1)C(=O)Nc1cccn(c1=O)[*:1]
CC(C)(C)n1cc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cn1 CC(C)(C)[*:1] O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1cnn(c1)[*:1]
Cc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)c2nn(cc2[O-])[*:1])c(C)c1
Cn1c(SCC(=O)c2ccc(Oc3ccccc3)cc2)nc2sccc2c1=O c1ccc(cc1)[*:1] Cn1c(nc2sccc2c1=O)SCC(=O)c1ccc(cc1)O[*:1]
Cn1c(SCC(=O)c2ccc(Oc3ccccc3)cc2)nc2sccc2c1=O c1ccc(cc1)O[*:1] Cn1c(nc2sccc2c1=O)SCC(=O)c1ccc(cc1)[*:1]
COC[C@H](O)CC[NH2+][C@H](C)c1c[nH]c2cc(Cl)ccc12 COC[*:1] C[C@@H]([NH2+]CC[C@@H](O)[*:1])c1c[nH]c2cc(Cl)ccc12
COC[C@H](O)CC[NH2+][C@H](C)c1c[nH]c2cc(Cl)ccc12 COC[C@H](O)[*:1] C[C@@H]([NH2+]CC[*:1])c1c[nH]c2cc(Cl)ccc12
COC[C@H](O)CC[NH2+][C@H](C)c1c[nH]c2cc(Cl)ccc12 COC[C@H](O)C[*:1] C[C@@H]([NH2+]C[*:1])c1c[nH]c2cc(Cl)ccc12
COC(=O)c1c(SCC(=O)Nc2cc(C)ccc2C)[nH]c2cc(C(=O)[O-])ccc2c1=O O=C([O-])[*:1] COC(=O)c1c([nH]c2cc(ccc2c1=O)[*:1])SCC(=O)Nc1cc(C)ccc1C
COC(=O)c1c(SCC(=O)Nc2cc(C)ccc2C)[nH]c2cc(C(=O)[O-])ccc2c1=O COC(=O)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1[nH]c2cc(ccc2c(=O)c1[*:1])C(=O)[O-]
COC(=O)c1c(SCC(=O)Nc2cc(C)ccc2C)[nH]c2cc(C(=O)[O-])ccc2c1=O Cc1ccc(C)c(c1)[*:1] COC(=O)c1c([nH]c2cc(ccc2c1=O)C(=O)[O-])SCC(=O)N[*:1]
CCOC(=O)C1CCN(c2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])CC1 C1CCCC(CC1)[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(N[*:1])c1[N+](=O)[O-]
CCOC(=O)C1CCN(c2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(NC2CCCCCC2)c1[*:1]
CCOC(=O)C1CCN(c2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])CC1 CCOC(=O)[*:1] O=[N+]([O-])c1c(ncnc1N1CCC(CC1)[*:1])NC1CCCCCC1
CCOC(=O)C1CCN(c2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])CC1 C1CCCC(CC1)N[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(c1[N+](=O)[O-])[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 Clc1ccc(c(Cl)c1)[*:1] CC(=O)c1cccc(c1)O[C@@H](C)C(=O)N[C@@H](C)[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 CC(=O)[*:1] C[C@H](Oc1cccc(c1)[*:1])C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
COc1ccccc1-c1cc(CN(C(=O)[C@H](C)Cl)C2CC2)no1 C1CC1[*:1] COc1ccccc1-c1cc(CN(C(=O)[C@H](C)Cl)[*:1])no1
COc1cccc([C@@H]2/C(=C(/C)O)C(=O)C[C@](C)(O)[C@H]2C(C)=O)c1 CC(=O)[*:1] COc1cccc(c1)[C@@H]1/C(C(=O)C[C@](C)(O)[C@@H]1[*:1])=C(/C)O
CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1cc[nH]n1 Clc1ccccc1[*:1] CC1(C)CO[C@H](CN1Cc1cc[nH]n1)[*:1]
CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1cc[nH]n1 c1cc(n[nH]1)[*:1] CC1(C)CO[C@@H](CN1C[*:1])c1ccccc1Cl
CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1cc[nH]n1 c1cc(C[*:1])n[nH]1 CC1(C)CO[C@@H](CN1[*:1])c1ccccc1Cl
Cc1ncc(I)c(=O)n1CCCCCS SCCC[*:1] Cc1ncc(I)c(=O)n1CC[*:1]
Cc1ncc(I)c(=O)n1CCCCCS SCC[*:1] Cc1ncc(I)c(=O)n1CCC[*:1]
Cc1ncc(I)c(=O)n1CCCCCS SCCCC[*:1] Cc1ncc(I)c(=O)n1C[*:1]
CC(C)N(CC(=O)[O-])C(=O)NC1C(C)(C)C1(C)C CC(C)[*:1] CC1(C)C(NC(=O)N(CC(=O)[O-])[*:1])C1(C)C
CC(C)N(CC(=O)[O-])C(=O)NC1C(C)(C)C1(C)C O=C([O-])[*:1] CC(C)N(C[*:1])C(=O)NC1C(C)(C)C1(C)C
CC(C)N(CC(=O)[O-])C(=O)NC1C(C)(C)C1(C)C O=C([O-])C[*:1] CC(C)N(C(=O)NC1C(C)(C)C1(C)C)[*:1]
C[C@@H]([NH2+][C@H]1CCOc2cc3c(cc21)OCO3)C1CCC1 C1CC(C1)[*:1] C[C@@H]([NH2+][C@H]1CCOc2cc3OCOc3cc21)[*:1]
COc1cc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(OC)cc1C c1cn(cn1)[*:1] COc1cc(c(cc1C)OC)S(=O)(=O)N[C@H](C)c1ccc(cc1)[*:1]
CCc1ccc(NC(=O)Cc2cc(=O)oc3cc(OC)ccc23)cc1 CCc1ccc(cc1)[*:1] COc1ccc2c(cc(=O)oc2c1)CC(=O)N[*:1]
CC[C@@H](CO)[NH+]1CCN([C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 Fc1ccccc1[*:1] CC[C@@H](CO)[NH+]1CCN(CC1)[C@H](C)C(=O)NC(=O)N[*:1]
CC(=O)N[C@H]1CCCN(C(=O)c2[nH]nc(C3CC3)c2Cl)C1 C1CC1[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)c1[nH]nc(c1Cl)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)c2[nH]nc(C3CC3)c2Cl)C1 CC(=O)N[*:1] O=C(c1[nH]nc(c1Cl)C1CC1)N1CCC[C@@H](C1)[*:1]
Cc1ccc(NC(=O)N[C@@H](Cn2cncn2)c2ccccc2)s1 c1ncn(C[*:1])n1 Cc1ccc(NC(=O)N[C@@H](c2ccccc2)[*:1])s1
Cc1ccc(NC(=O)N[C@@H](Cn2cncn2)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)N[C@@H](Cn2cncn2)[*:1])s1
Cc1ccc(NC(=O)N[C@@H](Cn2cncn2)c2ccccc2)s1 c1ncn(n1)[*:1] Cc1ccc(NC(=O)N[C@@H](C[*:1])c2ccccc2)s1
Cc1ccc(NC(=O)N[C@@H](Cn2cncn2)c2ccccc2)s1 Cc1ccc(s1)[*:1] O=C(N[C@@H](Cn1cncn1)c1ccccc1)N[*:1]
O=C(NCC(F)(F)F)C(=O)NCC1(O)CCCC1 OC1(CCCC1)[*:1] O=C(NCC(F)(F)F)C(=O)NC[*:1]
O=C(NCC(F)(F)F)C(=O)NCC1(O)CCCC1 FC(F)(F)[*:1] O=C(NCC1(O)CCCC1)C(=O)NC[*:1]
O=C(NCC(F)(F)F)C(=O)NCC1(O)CCCC1 FC(F)(F)C[*:1] O=C(NCC1(O)CCCC1)C(=O)N[*:1]
CCOC(=O)Cn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cccc(F)c21 CCOC(=O)[*:1] CC(C)S(=O)(=O)c1cccc(c1)C(=O)/N=c1\sc2cccc(F)c2n1C[*:1]
CCOC(=O)Cn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cccc(F)c21 CC(C)S(=O)(=O)[*:1] CCOC(=O)Cn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2cccc(F)c21
CCOC(=O)Cn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cccc(F)c21 CC(C)[*:1] CCOC(=O)Cn1/c(=N/C(=O)c2cccc(c2)S(=O)(=O)[*:1])sc2cccc(F)c21
CCOC(=O)Cn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cccc(F)c21 CCOC(=O)C[*:1] CC(C)S(=O)(=O)c1cccc(c1)C(=O)/N=c1\sc2cccc(F)c2n1[*:1]
O=C(NNC(=O)C1CC1)c1c(O)cc(F)cc1F C1CC1[*:1] O=C(NNC(=O)[*:1])c1c(O)cc(F)cc1F
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])c2ccc(F)cc2N1
C[C@@H]1CCN(C(=O)CCOc2ccccc2-c2ccccc2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)CCOc1ccccc1[*:1]
Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cnc(-c2cccs2)s1 c1csc(c1)[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cnc(s1)[*:1]
CNC(=O)c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1Cl CNC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])C1(CC1)c1ccc(F)cc1
CNC(=O)c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1Cl Fc1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)C1(CC1)[*:1]
Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)n2C)no1 Cc1ccccc1[*:1] Cc1cc(no1)NC(=O)[C@@H](C)Sc1nnc(n1C)[*:1]
Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)n2C)no1 Cc1cc(no1)[*:1] Cc1ccccc1-c1nnc(S[C@H](C)C(=O)N[*:1])n1C
Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)[nH]n2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1cc([nH]n1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)[nH]n2)cc1C Cc1ccc(cc1C)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(COc1cccc(Br)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 Brc1cccc(c1)[*:1] O=C(CO[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(COc1cccc(Br)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(COc1cccc(Br)c1)Nc1ccc(Cl)c(c1)[*:1]
CCCCS(=O)(=O)NCC1CCN(c2ncccc2C#N)CC1 CCC[*:1] N#Cc1cccnc1N1CCC(CC1)CNS(=O)(=O)C[*:1]
CCCCS(=O)(=O)NCC1CCN(c2ncccc2C#N)CC1 CCCC[*:1] N#Cc1cccnc1N1CCC(CC1)CNS(=O)(=O)[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)[C@@H]2COc3ccc(F)cc3C2)n1 Cc1nc(C)n(n1)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1COc2ccc(F)cc2C1
CCC[C@@H](C[NH3+])[C@@H](O)c1ccc(F)cc1Br CCC[*:1] [NH3+]C[C@@H]([C@@H](O)c1ccc(F)cc1Br)[*:1]
CCOC(=O)c1nnnn1CC(=O)NC(=O)OC CCOC(=O)[*:1] COC(=O)NC(=O)Cn1nnnc1[*:1]
Cc1ccc2c(CN3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)cc(=O)oc2c1C NS(=O)(=O)[*:1] Cc1ccc2c(cc(=O)oc2c1C)CN1c2ccc(cc2C[C@@H]1C)[*:1]
C=C(Br)CSc1nc2ccc(OC)cc2[nH]1 C=C(Br)C[*:1] COc1ccc2nc([nH]c2c1)S[*:1]
C=C(Br)CSc1nc2ccc(OC)cc2[nH]1 C=C(Br)[*:1] COc1ccc2nc([nH]c2c1)SC[*:1]
C=C(Br)CSc1nc2ccc(OC)cc2[nH]1 C=C(Br)CS[*:1] COc1ccc2nc([nH]c2c1)[*:1]
CSc1ccc([C@H](Cl)Cc2ccsc2)cc1 c1cc(cs1)[*:1] CSc1ccc(cc1)[C@H](Cl)C[*:1]
O=C(C[NH+]1CCN(Cc2nc3ccccc3s2)CC1)NCc1ccc2c(c1)OCO2 c1ccc2sc(C[*:1])nc2c1 O=C(C[NH+]1CCN(CC1)[*:1])NCc1ccc2OCOc2c1
O=C(C[NH+]1CCN(Cc2nc3ccccc3s2)CC1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc2ccccc2s1)NC[*:1]
O=C(C[NH+]1CCN(Cc2nc3ccccc3s2)CC1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc2ccccc2s1)N[*:1]
O=C(C[NH+]1CCN(Cc2nc3ccccc3s2)CC1)NCc1ccc2c(c1)OCO2 c1ccc2sc(nc2c1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])NCc1ccc2OCOc2c1
CC(C)Cn1ccc2cc(NC(=O)C(=O)NC3CCC(O)CC3)ccc21 CC(C)[*:1] O=C(Nc1ccc2c(ccn2C[*:1])c1)C(=O)NC1CCC(O)CC1
CC(C)Cn1ccc2cc(NC(=O)C(=O)NC3CCC(O)CC3)ccc21 OC1CCC(CC1)[*:1] CC(C)Cn1ccc2cc(ccc21)NC(=O)C(=O)N[*:1]
CC(C)Cn1ccc2cc(NC(=O)C(=O)NC3CCC(O)CC3)ccc21 CC(C)C[*:1] O=C(Nc1ccc2c(ccn2[*:1])c1)C(=O)NC1CCC(O)CC1
CCn1cc(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cn1 CCn1cc(cn1)[*:1] Fc1cc(c(Cl)cc1Cl)[C@H]1CN(CCO1)C[*:1]
Cc1c(C(=O)Nc2cc(F)ccc2Br)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cc(F)ccc1Br
O=C(Nc1ccc(F)cc1OCC(F)F)N[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)N[*:1]
O=C(Nc1ccc(F)cc1OCC(F)F)N[C@H]1CCS(=O)(=O)C1 FC(F)[*:1] O=C(Nc1ccc(F)cc1OC[*:1])N[C@H]1CCS(=O)(=O)C1
O=C(Nc1ccc(F)cc1OCC(F)F)N[C@H]1CCS(=O)(=O)C1 FC(F)C[*:1] O=C(Nc1ccc(F)cc1O[*:1])N[C@H]1CCS(=O)(=O)C1
O=C(Nc1ccc(F)cc1OCC(F)F)N[C@H]1CCS(=O)(=O)C1 FC(F)CO[*:1] O=C(Nc1ccc(F)cc1[*:1])N[C@H]1CCS(=O)(=O)C1
C[NH2+][C@H]1CCC[C@H]1CC[S@](=O)C(C)(C)C CC(C)(C)[*:1] C[NH2+][C@H]1CCC[C@H]1CC[S@](=O)[*:1]
CCc1nc(CN2CCN(Cc3scnc3C)CC2)cs1 Cc1ncsc1C[*:1] CCc1nc(cs1)CN1CCN(CC1)[*:1]
CCc1nc(CN2CCN(Cc3scnc3C)CC2)cs1 CCc1nc(cs1)[*:1] Cc1ncsc1CN1CCN(CC1)C[*:1]
CCc1nc(CN2CCN(Cc3scnc3C)CC2)cs1 Cc1ncsc1[*:1] CCc1nc(cs1)CN1CCN(CC1)C[*:1]
Cc1nccn1-c1ccc([C@@H](C)Nc2ccc(OC(F)F)cn2)cc1 FC(F)O[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)Nc1ccc(cn1)[*:1]
Cc1nccn1-c1ccc([C@@H](C)Nc2ccc(OC(F)F)cn2)cc1 Cc1nccn1[*:1] C[C@@H](Nc1ccc(cn1)OC(F)F)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@@H](C)Nc2ccc(OC(F)F)cn2)cc1 FC(F)[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)Nc1ccc(cn1)O[*:1]
CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 C1CC1[*:1] CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)[*:1]
CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 CC(=O)[*:1] C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1ccccc1[*:1]
CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C1CC1)[*:1]
CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 CC(C)(C)NC(=O)C[*:1] CN(C(=O)[C@@H]1CCCN(C1)C(=O)c1cccs1)[*:1]
CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 CC(C)(C)[*:1] CN(CC(=O)N[*:1])C(=O)[C@@H]1CCCN(C1)C(=O)c1cccs1
CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 CC(C)(C)NC(=O)[*:1] CN(C[*:1])C(=O)[C@@H]1CCCN(C1)C(=O)c1cccs1
CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(OC)c(NC(=O)[C@H](C)N2CC[NH+](Cc3ccon3)CC2)c1 c1cc(no1)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@H](C)N1CC[NH+](CC1)C[*:1]
O=C(N[C@H](Cc1ccccc1)c1cccs1)N1CCC[C@H](CCO)C1 c1csc(c1)[*:1] O=C(N[C@H](Cc1ccccc1)[*:1])N1CCC[C@H](CCO)C1
O=C(N[C@H](Cc1ccccc1)c1cccs1)N1CCC[C@H](CCO)C1 c1ccc(cc1)C[*:1] O=C(N[C@H](c1cccs1)[*:1])N1CCC[C@H](CCO)C1
O=C(N[C@H](Cc1ccccc1)c1cccs1)N1CCC[C@H](CCO)C1 OCC[*:1] O=C(N[C@H](Cc1ccccc1)c1cccs1)N1CCC[C@H](C1)[*:1]
O=C(N[C@H](Cc1ccccc1)c1cccs1)N1CCC[C@H](CCO)C1 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])c1cccs1)N1CCC[C@H](CCO)C1
Cc1ccc(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)[*:1])C[C@@H](C)O1
CC(C)C[C@H]([NH2+][C@@H]1CCCS[C@H]1C)C(=O)N(C)C CC(C)C[*:1] C[C@@H]1SCCC[C@H]1[NH2+][C@H](C(=O)N(C)C)[*:1]
CC(C)C[C@H]([NH2+][C@@H]1CCCS[C@H]1C)C(=O)N(C)C CN(C)C(=O)[*:1] CC(C)C[C@H]([NH2+][C@@H]1CCCS[C@H]1C)[*:1]
CC(C)C[C@H]([NH2+][C@@H]1CCCS[C@H]1C)C(=O)N(C)C CC(C)[*:1] C[C@@H]1SCCC[C@H]1[NH2+][C@@H](C[*:1])C(=O)N(C)C
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 Cc1c(Cl)cccc1[*:1] O=S(=O)(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccc(F)cc1
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
CCOC(=O)CN(C)c1ccc2nccnc2n1 CCOC(=O)C[*:1] CN(c1ccc2nccnc2n1)[*:1]
CCOC(=O)CN(C)c1ccc2nccnc2n1 CCOC(=O)[*:1] CN(C[*:1])c1ccc2nccnc2n1
CN(C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
CN(C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1])C1CCCCC1
COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@H]5C)c(=O)c4cc3c2=O)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCC[C@H]([C@@H]1C)n1ccc2nc3ccn(C[*:1])c(=O)c3cc2c1=O
COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@H]5C)c(=O)c4cc3c2=O)cc1 COc1ccc(cc1)C[*:1] C[C@@H]1CCC[C@H]([C@@H]1C)n1ccc2nc3ccn(c(=O)c3cc2c1=O)[*:1]
CCOc1ccc(NC(=O)[C@@](C)(N)C(F)(F)F)cc1OC FC(F)(F)[*:1] CCOc1ccc(cc1OC)NC(=O)[C@@](C)(N)[*:1]
CCOc1ccc(NC(=O)[C@@](C)(N)C(F)(F)F)cc1OC CCO[*:1] COc1cc(ccc1[*:1])NC(=O)[C@@](C)(N)C(F)(F)F
CCN1C(=O)[C@](C)(C(=O)Nc2ccc(F)cc2)Oc2cccnc21 Fc1ccc(cc1)[*:1] CCN1C(=O)[C@@](C)(Oc2cccnc21)C(=O)N[*:1]
COc1cc(CNC(=O)C2(c3ccccc3)CCC2)ccn1 c1ccc(cc1)[*:1] COc1cc(ccn1)CNC(=O)C1(CCC1)[*:1]
Cn1ncc(C(=O)Nc2ccc(Cl)cc2)c1C(F)(F)F FC(F)(F)[*:1] Cn1ncc(C(=O)Nc2ccc(Cl)cc2)c1[*:1]
CC(=O)N[C@@H](CC(=O)NCc1ccc[nH]1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)NCc1ccc[nH]1)[*:1]
CC(=O)N[C@@H](CC(=O)NCc1ccc[nH]1)c1ccc(Br)cc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccc(Br)cc1)[*:1])NCc1ccc[nH]1
CC(=O)N[C@@H](CC(=O)NCc1ccc[nH]1)c1ccc(Br)cc1 c1c[nH]c(c1)C[*:1] CC(=O)N[C@@H](CC(=O)N[*:1])c1ccc(Br)cc1
CC(=O)N[C@@H](CC(=O)NCc1ccc[nH]1)c1ccc(Br)cc1 c1c[nH]c(c1)[*:1] CC(=O)N[C@@H](CC(=O)NC[*:1])c1ccc(Br)cc1
Cc1cc(C)c2c(n1)sc1c(N3CC[NH+](C4CCCCC4)CC3)ncnc12 C1CCC(CC1)[*:1] Cc1cc(C)c2c(n1)sc1c(ncnc12)N1CC[NH+](CC1)[*:1]
N#Cc1ccc(NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1 c1cc(cs1)[*:1] N#Cc1ccc(cc1)NC(=O)N1CCCN(CC1)C(=O)[*:1]
N#Cc1ccc(NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])N1CCCN(CC1)C(=O)c1ccsc1
CC(C)Sc1ccc(NC(=O)C2CC2)cn1 CC(C)[*:1] O=C(Nc1ccc(nc1)S[*:1])C1CC1
CC(C)Sc1ccc(NC(=O)C2CC2)cn1 CC(C)S[*:1] O=C(Nc1ccc(nc1)[*:1])C1CC1
CC(C)Sc1ccc(NC(=O)C2CC2)cn1 C1CC1[*:1] CC(C)Sc1ccc(cn1)NC(=O)[*:1]
Cc1ncc(C(=O)NCc2cc3n(n2)CC[NH2+]C3)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ncc(C(=O)NCc2cc3C[NH2+]CCn3n2)c(n1)[*:1]
CC(C)[C@H](NC(=O)c1n[nH]c2ccc(Cl)cc12)C(=O)Nc1ccccc1 CC(C)[*:1] O=C(N[C@H](C(=O)Nc1ccccc1)[*:1])c1n[nH]c2ccc(Cl)cc12
CC(C)[C@H](NC(=O)c1n[nH]c2ccc(Cl)cc12)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1n[nH]c2ccc(Cl)cc12)C(=O)N[*:1]
CC[C@@H](CNC(=O)Nc1ccc[nH+]c1N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)Nc1ccc[nH+]c1N1CCOCC1)[*:1]
CC[C@@H](CNC(=O)Nc1ccc[nH+]c1N1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] CC[C@@H](CNC(=O)Nc1ccc[nH+]c1[*:1])c1ccccc1
O=C1C[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)CN1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1CCN(CC1)C(=O)C1CC1
O=C1C[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)CN1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(C1CC1)N1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C1C[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)CN1CCc1ccccc1 C1CC1[*:1] O=C1C[C@@H](CN1CCc1ccccc1)C(=O)N1CCN(CC1)C(=O)[*:1]
O=C1C[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)CN1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](CN1CC[*:1])C(=O)N1CCN(CC1)C(=O)C1CC1
O=C(N[C@@H](CO)c1ccccc1F)[C@H]1C[C@]12CCCc1ccccc12 Fc1ccccc1[*:1] O=C(N[C@@H](CO)[*:1])[C@H]1C[C@]12CCCc1ccccc12
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C(CO)CO)C1 CC(C)(C)[*:1] O=C(N[C@H]1CC[C@@H](C1)[NH2+]C(CO)CO)O[*:1]
COc1ccc(S(=O)(=O)c2c(SC)nn(CC(=O)Nc3cccc(Cl)c3)c2N)cc1 O=C(Nc1cccc(Cl)c1)[*:1] COc1ccc(cc1)S(=O)(=O)c1c(nn(C[*:1])c1N)SC
COc1ccc(S(=O)(=O)c2c(SC)nn(CC(=O)Nc3cccc(Cl)c3)c2N)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)c1c(nn(CC(=O)N[*:1])c1N)SC
COc1ccc(S(=O)(=O)c2c(SC)nn(CC(=O)Nc3cccc(Cl)c3)c2N)cc1 COc1ccc(cc1)[*:1] CSc1nn(CC(=O)Nc2cccc(Cl)c2)c(N)c1S(=O)(=O)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 CN(C)S(=O)(=O)[*:1] N#Cc1c(NC(=O)c2ccc(cc2)[*:1])sc2CCCCc21
CCc1ccc([C@H](C)NC(=O)Nc2nnc(Cc3cccc(OC)c3)s2)cc1 COc1cccc(c1)C[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)Nc1nnc(s1)[*:1]
CCc1ccc([C@H](C)NC(=O)Nc2nnc(Cc3cccc(OC)c3)s2)cc1 COc1cccc(c1)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)Nc1nnc(C[*:1])s1
CCc1ccc([C@H](C)NC(=O)Nc2nnc(Cc3cccc(OC)c3)s2)cc1 CCc1ccc(cc1)[*:1] COc1cccc(c1)Cc1nnc(NC(=O)N[C@@H](C)[*:1])s1
NS(=O)(=O)c1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 c1csc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)c1cn(nc1[*:1])-c1ccccc1
NS(=O)(=O)c1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1cn(nc1-c1cccs1)-c1ccccc1
NS(=O)(=O)c1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(NCC[*:1])c1cn(nc1-c1cccs1)-c1ccccc1
NS(=O)(=O)c1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)c1cn(nc1-c1cccs1)[*:1]
CSc1nnc(CCNC(=O)[C@@H]2[NH+]=c3ccc(Cl)cc3=C2C)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1nnc(CCNC(=O)[C@@H]2[NH+]=c3ccc(Cl)cc3=C2C)n1[*:1]
COc1ccc(-c2ncc(C(=O)NC(C)(C)c3nccs3)s2)cc1 CC(C)(c1nccs1)[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)N[*:1]
COc1ccc(-c2ncc(C(=O)NC(C)(C)c3nccs3)s2)cc1 COc1ccc(cc1)[*:1] CC(C)(NC(=O)c1cnc(s1)[*:1])c1nccs1
COc1ccc(-c2ncc(C(=O)NC(C)(C)c3nccs3)s2)cc1 c1csc(n1)[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)NC(C)(C)[*:1]
O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc23)N1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc23)N1[*:1]
O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc23)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc23)N1C[*:1]
C[C@H](CNC(=O)Cn1cccc1C(=O)[O-])[NH+](C)C O=C([O-])[*:1] C[C@H](CNC(=O)Cn1cccc1[*:1])[NH+](C)C
C[C@H](Sc1nc2ncccn2n1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](Sc1nc2ncccn2n1)c1ccc(cc1)O[*:1]
C[C@H](Sc1nc2ncccn2n1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@H](Sc1nc2ncccn2n1)c1ccc(cc1)[*:1]
CCC[C@]1(C)CCCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 CS(=O)(=O)[*:1] CCC[C@]1(C)CCCN(C1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CCC[C@]1(C)CCCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 CCC[*:1] C[C@@H](NC(=O)N1CCC[C@@](C)(C1)[*:1])c1ccc(cc1)S(C)(=O)=O
CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 CC(C)[*:1] O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(cc1)[*:1]
CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 C1CCN(C1)[*:1] CC(C)c1ccc(cc1)C(=O)NC(=S)Nc1ccccc1[*:1]
C[C@@H]([NH2+]CCC1=CCOCC1)c1ccc(-n2cncn2)cc1Cl c1ncn(n1)[*:1] C[C@@H]([NH2+]CCC1=CCOCC1)c1ccc(cc1Cl)[*:1]
CCCC[C@@H](O)[C@]1(C#N)CCc2ccccc21 CCC[*:1] N#C[C@]1(CCc2ccccc21)[C@H](O)C[*:1]
CCCC[C@@H](O)[C@]1(C#N)CCc2ccccc21 CCCC[*:1] N#C[C@]1(CCc2ccccc21)[C@H](O)[*:1]
C/C=C(/C)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 CC=C(C)[*:1] C[C@H]1CCN(C(=O)[*:1])[C@H]2CCCC[C@@H]12
CCC[C@@]1(C(=O)[O-])CCCN(C(=O)C[C@H]2CCCCO2)C1 O=C([O-])[*:1] CCC[C@]1(CCCN(C1)C(=O)C[C@H]1CCCCO1)[*:1]
CCC[C@@]1(C(=O)[O-])CCCN(C(=O)C[C@H]2CCCCO2)C1 CCC[*:1] O=C(C[C@H]1CCCCO1)N1CCC[C@@](C1)(C(=O)[O-])[*:1]
CCC[C@@]1(C(=O)[O-])CCCN(C(=O)C[C@H]2CCCCO2)C1 C1CC[C@@H](OC1)[*:1] CCC[C@]1(CCCN(C1)C(=O)C[*:1])C(=O)[O-]
CCC[C@@]1(C(=O)[O-])CCCN(C(=O)C[C@H]2CCCCO2)C1 C1CC[C@H](C[*:1])OC1 CCC[C@]1(CCCN(C1)C(=O)[*:1])C(=O)[O-]
O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] O=C(CN1C(=O)N[C@@H](C[*:1])C1=O)Nc1ccc2OCOc2c1
O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)N[*:1]
O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@@H](CC[*:1])C1=O)Nc1ccc2OCOc2c1
O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)CC[*:1] O=C(CN1C(=O)N[C@@H](C1=O)[*:1])Nc1ccc2OCOc2c1
C=CCNC(=O)C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2 C=CC[*:1] Cc1cc(NC(=O)C(=O)N[*:1])n(n1)-c1nc2CCCc2c(=O)[nH]1
CC(=O)Nc1ccc(NC(=O)CN2C(=O)COc3cc(C)ccc32)cc1 CC(=O)N[*:1] Cc1ccc2c(c1)OCC(=O)N2CC(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C Clc1ccccc1[*:1] CC[C@H](C)NC(=O)c1c(C)nn(C[*:1])c1C
CC[C@H](C)NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C CC[C@H](C)[*:1] Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[*:1]
CC[C@H](C)NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C CC[C@H](C)NC(=O)[*:1] Cc1nn(Cc2ccccc2Cl)c(C)c1[*:1]
COCCCC(=O)NCCC12CC3CC(CC(C3)C1)C2 COCCC[*:1] O=C(NCCC12CC3CC(CC(C3)C1)C2)[*:1]
COCCCC(=O)NCCC12CC3CC(CC(C3)C1)C2 COCC[*:1] O=C(C[*:1])NCCC12CC3CC(CC(C3)C1)C2
COCCCC(=O)NCCC12CC3CC(CC(C3)C1)C2 COC[*:1] O=C(CC[*:1])NCCC12CC3CC(CC(C3)C1)C2
O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NC1CC1 C1CC1[*:1] O=C(CCNC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1)N[*:1]
O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NCC[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NC1CC1 c1ccc(cc1)[*:1] O=C(CCNC(=O)[C@@H]1CC(=O)N(C1)[*:1])NC1CC1
O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(NC[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
C[C@H](NC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1)[C@H]1CCCO1 NC(=O)[*:1] C[C@H](NC(=O)N1CCN(CC1)[C@H](c1ccccc1)[*:1])[C@H]1CCCO1
C[C@H](NC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)N1CCN(CC1)[C@H](C(N)=O)c1ccccc1)[*:1]
C[C@H](NC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1)[C@H]1CCCO1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCN(CC1)[C@H](C(N)=O)[*:1])[C@H]1CCCO1
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C12CCCC2 CC(C)C[*:1] O=C([C@@H]1c2ccccc2C(=O)N(C12CCCC2)[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C12CCCC2 CC(C)[*:1] O=C([C@@H]1c2ccccc2C(=O)N(C[*:1])C12CCCC2)N1CCN(CC1)c1cccc[nH+]1
COc1ccc(Cn2ccc3nc4nc(C)nn4c(-c4cccc(OC)c4)c3c2=O)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)-c1c2c(=O)n(ccc2nc2nc(C)nn12)C[*:1]
COc1ccc(Cn2ccc3nc4nc(C)nn4c(-c4cccc(OC)c4)c3c2=O)cc1 COc1ccc(cc1)C[*:1] COc1cccc(c1)-c1c2c(=O)n(ccc2nc2nc(C)nn12)[*:1]
COc1ccc(Cn2ccc3nc4nc(C)nn4c(-c4cccc(OC)c4)c3c2=O)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)Cn1ccc2nc3nc(C)nn3c(c2c1=O)[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2C)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CN(C)S(=O)(=O)[*:1])c(C)c1
COC(=O)[C@H](NC(=O)C1=c2ccccc2=[NH+]C(=O)C1)C(C)C COC(=O)[*:1] CC(C)[C@@H](NC(=O)C1CC(=O)[NH+]=c2ccccc2=1)[*:1]
COC(=O)[C@H](NC(=O)C1=c2ccccc2=[NH+]C(=O)C1)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)C1CC(=O)[NH+]=c2ccccc2=1)[*:1]
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21 FC(F)(F)[*:1] CC(=O)N1C[C@H](C)Sc2ccc(cc21)S(=O)(=O)N1CCN(CC1)c1cccc(c1)[*:1]
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21 FC(F)(F)c1cccc(c1)[*:1] CC(=O)N1C[C@H](C)Sc2ccc(cc21)S(=O)(=O)N1CCN(CC1)[*:1]
C=CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(OC)cc1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)/C=C/c1ccc(cc1)OC
C=CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(OC)cc1 C=CC[*:1] COc1ccc(/C=C/C(=O)N(CC(=O)[O-])[*:1])cc1
C=CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(OC)cc1 O=C([O-])C[*:1] C=CCN(C(=O)/C=C/c1ccc(cc1)OC)[*:1]
O=C(NCc1cccnc1)C(=O)Nc1ccncc1 c1cncc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccncc1
O=C(NCc1cccnc1)C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(NCc1cccnc1)C(=O)N[*:1]
CCC(CC)CN1CC[C@](F)(C(=O)OC)C1 COC(=O)[*:1] CCC(CC)CN1CC[C@](F)(C1)[*:1]
CCC(CC)CN1CC[C@](F)(C(=O)OC)C1 CCC(CC)[*:1] COC(=O)[C@@]1(F)CCN(C1)C[*:1]
Cc1sc2[n+](c1-c1ccc(NC(=O)C(C)(C)C)cc1)CCN2 CC(C)(C)[*:1] Cc1sc2NCC[n+]2c1-c1ccc(cc1)NC(=O)[*:1]
Cc1sc2[n+](c1-c1ccc(NC(=O)C(C)(C)C)cc1)CCN2 CC(C)(C)C(=O)N[*:1] Cc1sc2NCC[n+]2c1-c1ccc(cc1)[*:1]
CCC[C@H]1C[C@@H]1NC(=O)C(=O)NCc1ccc(F)cc1 CCC[*:1] O=C(NCc1ccc(F)cc1)C(=O)N[C@H]1C[C@@H]1[*:1]
Cc1c(NC(=O)c2c(NC(=O)C[NH2+]C3CC3)sc3c2CCCC3)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)c2c(NC(=O)C[NH2+]C3CC3)sc3CCCCc32)c(=O)n(n1C)[*:1]
Cc1cc(F)ccc1CCNC(=O)CN1C(=O)CCc2ccccc21 Cc1cc(F)ccc1[*:1] O=C(CN1C(=O)CCc2ccccc21)NCC[*:1]
Cc1ccc2[nH+]c(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)[nH]c2c1 Fc1ccc(cc1)C[*:1] Cc1ccc2[nH+]c([nH]c2c1)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc2[nH+]c(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)[nH]c2c1 Fc1ccc(cc1)[*:1] Cc1ccc2[nH+]c([nH]c2c1)N1CCC(CC1)C(=O)NC[*:1]
CCCCNC(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 CCCC[*:1] CC(C)(C)c1nc2ccc(cc2s1)NC(=O)C(=O)N[*:1]
CCCCNC(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 CCC[*:1] CC(C)(C)c1nc2ccc(cc2s1)NC(=O)C(=O)NC[*:1]
CCCCNC(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 CC(C)(C)[*:1] CCCCNC(=O)C(=O)Nc1ccc2nc(sc2c1)[*:1]
CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N(CC)CC#N)CC1=O N#CC[*:1] CC[C@@H](C)c1ccccc1N1C[C@H](CC1=O)C(=O)N(CC)[*:1]
CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N(CC)CC#N)CC1=O CC[C@@H](C)[*:1] CCN(CC#N)C(=O)[C@H]1CC(=O)N(C1)c1ccccc1[*:1]
CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N(CC)CC#N)CC1=O CCN(CC#N)C(=O)[*:1] CC[C@@H](C)c1ccccc1N1C[C@@H](CC1=O)[*:1]
CNC(=O)CC1CCN(C(=O)CC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] CNC(=O)CC1CCN(CC1)C(=O)C[*:1]
CNC(=O)CC1CCN(C(=O)CC[C@@H]2CCCO2)CC1 CNC(=O)[*:1] O=C(CC[C@@H]1CCCO1)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)CC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)CC[*:1]
CNC(=O)CC1CCN(C(=O)CC[C@@H]2CCCO2)CC1 CNC(=O)C[*:1] O=C(CC[C@@H]1CCCO1)N1CCC(CC1)[*:1]
COc1cc(CNC(=O)N(C[C@H]2C[C@@H]2C)C(C)C)c2ccccc2n1 CC(C)[*:1] COc1cc(CNC(=O)N(C[C@H]2C[C@@H]2C)[*:1])c2ccccc2n1
CCC(CC)(CCO)CNC(=O)Nc1ccc(F)cc1Br OCC[*:1] CCC(CC)(CNC(=O)Nc1ccc(F)cc1Br)[*:1]
C[NH2+][C@H](Cc1nc([C@]2(C)CCCO2)no1)C(C)C CC(C)[*:1] C[NH2+][C@H](Cc1nc(no1)[C@]1(C)CCCO1)[*:1]
C[NH2+][C@H](Cc1nc([C@]2(C)CCCO2)no1)C(C)C C[C@@]1(CCCO1)[*:1] C[NH2+][C@H](Cc1nc(no1)[*:1])C(C)C
C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[*:1]
CCC(CC)N(C)c1nc(C(F)(F)F)ccc1/C(N)=N/O N/C(=N\O)[*:1] CCC(CC)N(C)c1nc(ccc1[*:1])C(F)(F)F
CCC(CC)N(C)c1nc(C(F)(F)F)ccc1/C(N)=N/O FC(F)(F)[*:1] CCC(CC)N(C)c1nc(ccc1/C(N)=N/O)[*:1]
CCC(CC)N(C)c1nc(C(F)(F)F)ccc1/C(N)=N/O CCC(CC)N(C)[*:1] N/C(=N\O)c1ccc(nc1[*:1])C(F)(F)F
CCC(CC)N(C)c1nc(C(F)(F)F)ccc1/C(N)=N/O CCC(CC)[*:1] CN(c1nc(ccc1/C(N)=N/O)C(F)(F)F)[*:1]
O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)O[*:1]
O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)[*:1]
COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C O=[N+]([O-])[*:1] COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2cccc(c2)[*:1])c1C
COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C Fc1ccccc1[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)Nc2cccc(c2)[N+](=O)[O-])c1C
COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C O=[N+]([O-])c1cccc(c1)[*:1] COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)N[*:1])c1C
COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C COC(=O)[*:1] Cc1c(sc(NC(=O)c2ccccc2F)c1[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C O=C(N[*:1])c1ccccc1F COC(=O)c1c(sc(C(=O)Nc2cccc(c2)[N+](=O)[O-])c1C)[*:1]
N#Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 N#Cc1cccc(c1)[*:1] O=C(Nc1cc(ccc1O)S(=O)(=O)N1CCCC1)[*:1]
N#Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 O=S(=O)(N1CCCC1)[*:1] N#Cc1cccc(c1)C(=O)Nc1cc(ccc1O)[*:1]
Cc1ccc(C(=O)N2CCC(NC(=O)N[C@H](C)c3cc(C)oc3C)CC2)cc1 Cc1cc(c(C)o1)[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)N[C@H](C)[*:1]
Cc1ccc(C(=O)N2CCC(NC(=O)N[C@H](C)c3cc(C)oc3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)NC1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(F)c(F)c1)N1CCC2(CC1)SCC(=O)N2Cc1ccco1 c1coc(c1)C[*:1] O=C(Nc1ccc(F)c(F)c1)N1CCC2(CC1)SCC(=O)N2[*:1]
O=C(Nc1ccc(F)c(F)c1)N1CCC2(CC1)SCC(=O)N2Cc1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(F)c(F)c1)N1CCC2(CC1)SCC(=O)N2C[*:1]
O=C(Nc1ccc(F)c(F)c1)N1CCC2(CC1)SCC(=O)N2Cc1ccco1 Fc1ccc(cc1F)[*:1] O=C(N[*:1])N1CCC2(CC1)SCC(=O)N2Cc1ccco1
S=c1[nH]nc(-c2ccco2)n1C1CC1 C1CC1[*:1] S=c1[nH]nc(-c2ccco2)n1[*:1]
Cc1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)nn1C(C)(C)C c1ccc(cc1)[*:1] Cc1cc(nn1C(C)(C)C)C(=O)N1C[C@H](C)O[C@@H](C1)[*:1]
Cc1cc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)nn1C(C)(C)C CC(C)(C)[*:1] Cc1cc(nn1[*:1])C(=O)N1C[C@H](C)O[C@H](C1)c1ccccc1
Cc1ccc(C(=O)N2CC(=O)Nc3cc(Br)ccc32)cn1 Cc1ccc(cn1)[*:1] O=C1CN(C(=O)[*:1])c2ccc(Br)cc2N1
CC[NH2+][C@@H](Cc1cccc(F)c1)c1cc(C)c(F)cc1F Fc1cccc(c1)[*:1] CC[NH2+][C@@H](C[*:1])c1cc(C)c(F)cc1F
Cc1ccsc1CNC(=O)CN1CCO[C@H](c2ccc(Cl)cc2)C1 Cc1ccsc1C[*:1] O=C(CN1CCO[C@@H](C1)c1ccc(Cl)cc1)N[*:1]
Cc1ccsc1CNC(=O)CN1CCO[C@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] Cc1ccsc1CNC(=O)CN1CCO[C@H](C1)[*:1]
Cc1ccsc1CNC(=O)CN1CCO[C@H](c2ccc(Cl)cc2)C1 Cc1ccsc1[*:1] O=C(CN1CCO[C@@H](C1)c1ccc(Cl)cc1)NC[*:1]
COC(C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccn1)OC c1ccc(nc1)[*:1] COC(C[n+]1c(cc(cc1[*:1])-c1ccccc1)-c1ccccc1)OC
COC(C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccn1)OC c1ccc(cc1)[*:1] COC(C[n+]1c(cc(cc1-c1ccccn1)[*:1])-c1ccccc1)OC
COC(C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccn1)OC c1ccc(cc1)[*:1] COC(C[n+]1c(cc(cc1[*:1])-c1ccccc1)-c1ccccn1)OC
Cc1sc(C(=O)Nc2ccccc2C(N)=O)cc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(cc1[*:1])C(=O)Nc1ccccc1C(N)=O
Cc1sc(C(=O)Nc2ccccc2C(N)=O)cc1-c1ccc(F)cc1 NC(=O)[*:1] Cc1sc(cc1-c1ccc(F)cc1)C(=O)Nc1ccccc1[*:1]
Cc1cccc(N2CCN(C(=O)c3noc4c3CCCCC4)CC2)c1C Cc1cccc(c1C)[*:1] O=C(c1noc2CCCCCc12)N1CCN(CC1)[*:1]
C[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 C1CC(C1)[*:1] C[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[*:1]
Cc1nc2ccccc2n1CCC(=O)N1CCC([C@@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 c1ccc(cc1)[*:1] Cc1nc2ccccc2n1CCC(=O)N1CCC(CC1)[C@@]1(CC[*:1])NC(=O)NC1=O
Cc1nc2ccccc2n1CCC(=O)N1CCC([C@@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 Cc1nc2ccccc2n1[*:1] O=C1NC(=O)[C@](CCc2ccccc2)(N1)C1CCN(CC1)C(=O)CC[*:1]
Cc1nc2ccccc2n1CCC(=O)N1CCC([C@@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 c1ccc(cc1)CC[*:1] Cc1nc2ccccc2n1CCC(=O)N1CCC(CC1)[C@]1(NC(=O)NC1=O)[*:1]
Cc1nc2ccccc2n1CCC(=O)N1CCC([C@@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 c1ccc(cc1)C[*:1] Cc1nc2ccccc2n1CCC(=O)N1CCC(CC1)[C@@]1(C[*:1])NC(=O)NC1=O
Cc1nc2ccccc2n1CCC(=O)N1CCC([C@@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 Cc1nc2ccccc2n1C[*:1] O=C1NC(=O)[C@](CCc2ccccc2)(N1)C1CCN(CC1)C(=O)C[*:1]
CCc1nncn1CCNC(=O)N[C@@H](C)[C@@H](C)CO C[C@@H](CO)[*:1] CCc1nncn1CCNC(=O)N[C@@H](C)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CCc1nn(C)c(OC)c1CNC(=O)C1(CC1)c1ccc(cc1)[*:1]
CC(C)CC[C@H](C)NC(=O)N1CCC(C(=O)Nc2nncs2)CC1 CC(C)[*:1] C[C@@H](CC[*:1])NC(=O)N1CCC(CC1)C(=O)Nc1nncs1
CC(C)CC[C@H](C)NC(=O)N1CCC(C(=O)Nc2nncs2)CC1 c1nnc(s1)[*:1] CC(C)CC[C@H](C)NC(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)CC[C@H](C)NC(=O)N1CCC(C(=O)Nc2nncs2)CC1 O=C(Nc1nncs1)[*:1] CC(C)CC[C@H](C)NC(=O)N1CCC(CC1)[*:1]
CC(C)CC[C@H](C)NC(=O)N1CCC(C(=O)Nc2nncs2)CC1 CC(C)C[*:1] C[C@@H](C[*:1])NC(=O)N1CCC(CC1)C(=O)Nc1nncs1
CC(C)CC[C@H](C)NC(=O)N1CCC(C(=O)Nc2nncs2)CC1 CC(C)CC[*:1] C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nncs1)[*:1]
CC(C)CC[C@H](C)NC(=O)N1CCC(C(=O)Nc2nncs2)CC1 CC(C)CC[C@H](C)[*:1] O=C(Nc1nncs1)C1CCN(CC1)C(=O)N[*:1]
Cc1cccc(Cn2c(=O)n(CC3CCC(C(=O)NC(C)C)CC3)c(=O)c3sccc32)c1 CC(C)NC(=O)[*:1] Cc1cccc(c1)Cn1c(=O)n(CC2CCC(CC2)[*:1])c(=O)c2sccc21
Cc1cccc(Cn2c(=O)n(CC3CCC(C(=O)NC(C)C)CC3)c(=O)c3sccc32)c1 CC(C)[*:1] Cc1cccc(c1)Cn1c(=O)n(CC2CCC(CC2)C(=O)N[*:1])c(=O)c2sccc21
Cc1cccc(Cn2c(=O)n(CC3CCC(C(=O)NC(C)C)CC3)c(=O)c3sccc32)c1 Cc1cccc(c1)C[*:1] CC(C)NC(=O)C1CCC(CC1)Cn1c(=O)c2sccc2n(c1=O)[*:1]
Cc1cccc(Cn2c(=O)n(CC3CCC(C(=O)NC(C)C)CC3)c(=O)c3sccc32)c1 Cc1cccc(c1)[*:1] CC(C)NC(=O)C1CCC(CC1)Cn1c(=O)c2sccc2n(C[*:1])c1=O
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1C C1CCC(C1)[*:1] CC1=C(C(=O)O[*:1])[C@H](NC(=O)N1C)c1ccc(Cl)cc1
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1C Clc1ccc(cc1)[*:1] CC1=C(C(=O)OC2CCCC2)[C@@H](NC(=O)N1C)[*:1]
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1C O=C(OC1CCCC1)[*:1] CC1=C([C@H](NC(=O)N1C)c1ccc(Cl)cc1)[*:1]
CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3cccs3)ccc21 O=C(N[*:1])c1cccs1 CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(ccc21)[*:1]
CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3cccs3)ccc21 c1csc(c1)[*:1] CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(ccc21)NC(=O)[*:1]
CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3cccs3)ccc21 CCC[*:1] CC1CC[NH+](CC1)Cc1nc2cc(ccc2n1[*:1])NC(=O)c1cccs1
CCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] CCC(=O)Nc1cccc(NC(=O)[*:1])c1C
CCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2)c1C CCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(F)cc1
CC(=O)Nc1nc2nc(-c3ccccc3)cc([O-])n2n1 CC(=O)N[*:1] [O-]c1cc(nc2nc(nn12)[*:1])-c1ccccc1
CC(=O)Nc1nc2nc(-c3ccccc3)cc([O-])n2n1 c1ccc(cc1)[*:1] CC(=O)Nc1nc2nc(cc([O-])n2n1)[*:1]
CC(C)(C)c1nnc(NC(=O)c2ccc(OCC(F)F)nc2)s1 FC(F)CO[*:1] CC(C)(C)c1nnc(NC(=O)c2ccc(nc2)[*:1])s1
CC(C)(C)c1nnc(NC(=O)c2ccc(OCC(F)F)nc2)s1 FC(F)[*:1] CC(C)(C)c1nnc(NC(=O)c2ccc(nc2)OC[*:1])s1
CC(C)(C)c1nnc(NC(=O)c2ccc(OCC(F)F)nc2)s1 FC(F)C[*:1] CC(C)(C)c1nnc(NC(=O)c2ccc(nc2)O[*:1])s1
CC(C)(C)c1nnc(NC(=O)c2ccc(OCC(F)F)nc2)s1 CC(C)(C)[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(nc1)OCC(F)F
CC(C)c1ccsc1C(=O)NNC(=O)CC1CCCCC1 C1CCC(CC1)[*:1] CC(C)c1ccsc1C(=O)NNC(=O)C[*:1]
CC(C)c1ccsc1C(=O)NNC(=O)CC1CCCCC1 CC(C)[*:1] O=C(CC1CCCCC1)NNC(=O)c1sccc1[*:1]
CC(C)c1ccsc1C(=O)NNC(=O)CC1CCCCC1 C1CCC(CC1)C[*:1] CC(C)c1ccsc1C(=O)NNC(=O)[*:1]
O=C(CCc1ccncc1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(CCc1ccncc1)N1CCOC[C@@H]1[*:1]
O=C(CCc1ccncc1)N1CCOC[C@H]1C1CC1 c1cc(ccn1)[*:1] O=C(CC[*:1])N1CCOC[C@H]1C1CC1
CCC1=c2ccccc2=[NH+][C@@H]1C(=O)NCc1csc(-c2cnccn2)n1 c1cnc(cn1)[*:1] CCC1=c2ccccc2=[NH+][C@@H]1C(=O)NCc1csc(n1)[*:1]
O=C(Nc1cccc(CCc2ccncc2)c1)c1ccco1 c1cc(ccn1)C[*:1] O=C(Nc1cccc(c1)C[*:1])c1ccco1
O=C(Nc1cccc(CCc2ccncc2)c1)c1ccco1 c1cc(ccn1)[*:1] O=C(Nc1cccc(c1)CC[*:1])c1ccco1
O=C(Nc1cccc(CCc2ccncc2)c1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)CCc1ccncc1)[*:1]
CC(=O)NCCC[NH+](C)Cc1occc1C CC(=O)N[*:1] Cc1ccoc1C[NH+](C)CCC[*:1]
CC(=O)NCCC[NH+](C)Cc1occc1C CC(=O)NC[*:1] Cc1ccoc1C[NH+](C)CC[*:1]
CCn1ncnc1[C@H](NCc1cc(=O)c2c(C)ccc(C)c2[nH]1)C1CC1 C1CC1[*:1] CCn1ncnc1[C@H](NCc1cc(=O)c2c(C)ccc(C)c2[nH]1)[*:1]
CCn1ncnc1[C@H](NCc1cc(=O)c2c(C)ccc(C)c2[nH]1)C1CC1 CCn1ncnc1[*:1] Cc1ccc(C)c2c(=O)cc(CN[C@H](C3CC3)[*:1])[nH]c12
CC1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)CC1 CC1CCN(CC1)C(=O)[*:1] C[C@@H](Sc1nnc(-c2ccc(cc2)C(C)(C)C)n1N)[*:1]
CC1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)CC1 CC(C)(C)[*:1] CC1CCN(CC1)C(=O)[C@@H](C)Sc1nnc(-c2ccc(cc2)[*:1])n1N
O=C(Cc1csc(NC(=O)c2ccsc2)n1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccsc1)N[*:1]
O=C(Cc1csc(NC(=O)c2ccsc2)n1)Nc1ccc(Cl)cc1 O=C(N[*:1])c1ccsc1 O=C(Cc1csc(n1)[*:1])Nc1ccc(Cl)cc1
O=C(Cc1csc(NC(=O)c2ccsc2)n1)Nc1ccc(Cl)cc1 c1cc(cs1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])Nc1ccc(Cl)cc1
CCCOc1c(Br)cc(C(=O)N2CCN(c3ncccn3)CC2)cc1OC CCC[*:1] COc1cc(cc(Br)c1O[*:1])C(=O)N1CCN(CC1)c1ncccn1
CCCOc1c(Br)cc(C(=O)N2CCN(c3ncccn3)CC2)cc1OC c1cnc(nc1)[*:1] CCCOc1c(Br)cc(cc1OC)C(=O)N1CCN(CC1)[*:1]
CCCOc1c(Br)cc(C(=O)N2CCN(c3ncccn3)CC2)cc1OC CCCO[*:1] COc1cc(cc(Br)c1[*:1])C(=O)N1CCN(CC1)c1ncccn1
C[NH+](CCC(=O)Nc1cccc(F)c1)CC1(O)CCCC1 Fc1cccc(c1)[*:1] C[NH+](CCC(=O)N[*:1])CC1(O)CCCC1
C[NH+](CCC(=O)Nc1cccc(F)c1)CC1(O)CCCC1 OC1(CCCC1)C[*:1] C[NH+](CCC(=O)Nc1cccc(F)c1)[*:1]
C[NH+](CCC(=O)Nc1cccc(F)c1)CC1(O)CCCC1 OC1(CCCC1)[*:1] C[NH+](CCC(=O)Nc1cccc(F)c1)C[*:1]
Cc1ccc(OCC#N)c(CCl)n1 N#CC[*:1] Cc1ccc(O[*:1])c(CCl)n1
Cc1ccc(OCC#N)c(CCl)n1 N#CCO[*:1] Cc1ccc(c(CCl)n1)[*:1]
CN(C)c1cccc(C(=O)NNC(=O)Cc2ccc(OC(F)F)cc2)c1 FC(F)O[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)Cc1ccc(cc1)[*:1]
CN(C)c1cccc(C(=O)NNC(=O)Cc2ccc(OC(F)F)cc2)c1 CN(C)[*:1] O=C(Cc1ccc(cc1)OC(F)F)NNC(=O)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)NNC(=O)Cc2ccc(OC(F)F)cc2)c1 FC(F)[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)Cc1ccc(cc1)O[*:1]
O=C(CSc1nc([O-])c2sccc2n1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc([O-])c2sccc2n1)N1CCN(CC1)C[*:1]
O=C(CSc1nc([O-])c2sccc2n1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CSc1nc([O-])c2sccc2n1)N1CCN(CC1)[*:1]
CCOC(=O)Cc1csc(NC(=O)C2(c3ccc(F)cc3)CC2)n1 CCOC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])C1(CC1)c1ccc(F)cc1
CCOC(=O)Cc1csc(NC(=O)C2(c3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] CCOC(=O)Cc1csc(n1)NC(=O)C1(CC1)[*:1]
CCOC(=O)Cc1csc(NC(=O)C2(c3ccc(F)cc3)CC2)n1 CCOC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])C1(CC1)c1ccc(F)cc1
CC(C)NS(=O)(=O)c1ncccc1C#N CC(C)[*:1] N#Cc1cccnc1S(=O)(=O)N[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C CC(C)(C)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC2)C(=O)O[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)c(C)c1[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(o1)[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 Clc1ccc(cc1)[*:1] C[C@@H]([C@H](C)[*:1])N(C)C(=O)c1ccc(o1)[N+](=O)[O-]
Cc1sc2nc(S[C@@H](C)C(N)=O)n(C)c(=O)c2c1C C[C@@H](C(N)=O)[*:1] Cc1sc2nc(S[*:1])n(C)c(=O)c2c1C
Cc1sc2nc(S[C@@H](C)C(N)=O)n(C)c(=O)c2c1C NC(=O)[*:1] Cc1sc2nc(S[C@@H](C)[*:1])n(C)c(=O)c2c1C
Cc1sc2nc(S[C@@H](C)C(N)=O)n(C)c(=O)c2c1C C[C@H](S[*:1])C(N)=O Cc1sc2nc(n(C)c(=O)c2c1C)[*:1]
O=C(CCc1cccc([N+](=O)[O-])c1)Nc1c(F)cccc1F O=[N+]([O-])[*:1] O=C(CCc1cccc(c1)[*:1])Nc1c(F)cccc1F
CCCCC[NH+]1CCC(NC)CC1 CCC[*:1] CNC1CC[NH+](CC1)CC[*:1]
CCCCC[NH+]1CCC(NC)CC1 CCCC[*:1] CNC1CC[NH+](CC1)C[*:1]
CCOc1ccc(Br)cc1[C@@H]([NH3+])C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccc(Br)cc1[C@@H]([NH3+])C(C)(C)[*:1]
CCOc1ccc(Br)cc1[C@@H]([NH3+])C(C)(C)c1ccccc1 CCO[*:1] CC(C)(c1ccccc1)[C@H]([NH3+])c1cc(Br)ccc1[*:1]
CNC(=O)c1cccc(CN2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)c1 CNC(=O)[*:1] COc1cccc(c1)[C@H](C)[NH+]1CCN(CC1)Cc1cccc(c1)[*:1]
CNC(=O)c1cccc(CN2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)c1 COc1cccc(c1)[*:1] CNC(=O)c1cccc(c1)CN1CC[NH+](CC1)[C@@H](C)[*:1]
C[C@@H](Cc1cccs1)N(C)CC(=O)c1ccc(Br)s1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)CC(=O)c1ccc(Br)s1
C[C@@H](Cc1cccs1)N(C)CC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@@H](Cc1cccs1)N(C)CC(=O)[*:1]
C[C@@H](Cc1cccs1)N(C)CC(=O)c1ccc(Br)s1 c1csc(c1)C[*:1] C[C@@H](N(C)CC(=O)c1ccc(Br)s1)[*:1]
CSc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 C1CO[C@H](C1)[*:1] CSc1ccc(cc1)[C@H]1C(C(=O)OC[*:1])=C(C)NC2CCCC(=O)C=21
CSc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 CSc1ccc(cc1)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)OC[C@H]1CCCO1)[*:1]
CSc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 O=C(OC[C@H]1CCCO1)[*:1] CSc1ccc(cc1)[C@@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
CSc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 C1CO[C@H](C1)C[*:1] CSc1ccc(cc1)[C@H]1C(C(=O)O[*:1])=C(C)NC2CCCC(=O)C=21
CC(C)(C)N1C[C@H](NC(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1=O CC(C)(C)[*:1] O=C(N[C@@H](c1ccccc1)c1ccncc1)N[C@@H]1CC(=O)N(C1)[*:1]
CC(C)(C)N1C[C@H](NC(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1=O c1cc(ccn1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)NC(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)(C)N1C[C@H](NC(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1=O c1ccc(cc1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)NC(=O)N[C@@H](c1ccncc1)[*:1]
CN(CCCc1ccccc1)c1ccc(N)c(N)[nH+]1 c1ccc(cc1)[*:1] CN(CCC[*:1])c1ccc(N)c(N)[nH+]1
COc1ccc(Br)cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] COc1ccc(Br)cc1S(=O)(=O)N[C@H](c1ccccn1)[*:1]
COc1ccc(Br)cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccc(Br)cc1S(=O)(=O)N[C@H](c1ccccc1)[*:1]
CNC(=O)CSc1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(cc1)SC[*:1]
O=C(NCCNc1ncnc2c1oc1ccccc12)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCCNc1ncnc2c1oc1ccccc12)[*:1]
C[C@@H]1C[C@H](NC(=O)Nc2cnn(CC(F)F)c2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](NC(=O)Nc2cnn(c2)CC(F)F)C(=O)N1[*:1]
C[C@@H]1C[C@H](NC(=O)Nc2cnn(CC(F)F)c2)C(=O)N1c1ccccc1 FC(F)C[*:1] C[C@@H]1C[C@H](NC(=O)Nc2cnn(c2)[*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@H](NC(=O)Nc2cnn(CC(F)F)c2)C(=O)N1c1ccccc1 FC(F)[*:1] C[C@@H]1C[C@H](NC(=O)Nc2cnn(c2)C[*:1])C(=O)N1c1ccccc1
C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(ccc1Cl)[*:1]
Cc1ccc(C[NH+](CCS(C)(=O)=O)C(C)(C)C)c(C)c1 CC(C)(C)[*:1] Cc1ccc(C[NH+](CCS(C)(=O)=O)[*:1])c(C)c1
Cc1ccc(C[NH+](CCS(C)(=O)=O)C(C)(C)C)c(C)c1 CS(=O)(=O)[*:1] Cc1ccc(C[NH+](CC[*:1])C(C)(C)C)c(C)c1
Cc1ccc(C[NH+](CCS(C)(=O)=O)C(C)(C)C)c(C)c1 CS(=O)(=O)CC[*:1] Cc1ccc(C[NH+](C(C)(C)C)[*:1])c(C)c1
Cc1ccc(C[NH+](CCS(C)(=O)=O)C(C)(C)C)c(C)c1 CS(=O)(=O)C[*:1] Cc1ccc(C[NH+](C[*:1])C(C)(C)C)c(C)c1
OCCC[NH+]1CCN(c2ccccc2)CC1 OCC[*:1] c1ccc(cc1)N1CC[NH+](CC1)C[*:1]
OCCC[NH+]1CCN(c2ccccc2)CC1 OCCC[*:1] c1ccc(cc1)N1CC[NH+](CC1)[*:1]
CN(Cc1ccccc1)S(=O)(=O)Cc1cccc(N)c1 c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)Cc1cccc(N)c1
O=C(NCCCOC[C@H]1CCCO1)N1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCCCOC[C@H]1CCCO1)N1CCC(CC1)[*:1]
Cn1nc(C(=O)NCCCc2ccccc2)c2c1-c1ccccc1SC2 c1ccc(cc1)CC[*:1] Cn1nc(C(=O)NC[*:1])c2CSc3ccccc3-c21
Cn1nc(C(=O)NCCCc2ccccc2)c2c1-c1ccccc1SC2 c1ccc(cc1)[*:1] Cn1nc(C(=O)NCCC[*:1])c2CSc3ccccc3-c21
Cn1nc(C(=O)NCCCc2ccccc2)c2c1-c1ccccc1SC2 c1ccc(cc1)C[*:1] Cn1nc(C(=O)NCC[*:1])c2CSc3ccccc3-c21
O=C(Cc1cccc(OCc2cccnc2)c1)NCC#Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cccc(c1)OCc1cccnc1)NCC#C[*:1]
O=C(Cc1cccc(OCc2cccnc2)c1)NCC#Cc1ccccc1 c1cncc(c1)[*:1] O=C(Cc1cccc(c1)OC[*:1])NCC#Cc1ccccc1
O=C(Cc1cccc(OCc2cccnc2)c1)NCC#Cc1ccccc1 C(#Cc1ccccc1)C[*:1] O=C(Cc1cccc(c1)OCc1cccnc1)N[*:1]
O=C(Cc1cccc(OCc2cccnc2)c1)NCC#Cc1ccccc1 c1cncc(c1)CO[*:1] O=C(Cc1cccc(c1)[*:1])NCC#Cc1ccccc1
O=C(Cc1cccc(OCc2cccnc2)c1)NCC#Cc1ccccc1 C(#C[*:1])c1ccccc1 O=C(Cc1cccc(c1)OCc1cccnc1)NC[*:1]
O=C(Cc1cccc(OCc2cccnc2)c1)NCC#Cc1ccccc1 c1cncc(c1)C[*:1] O=C(Cc1cccc(c1)O[*:1])NCC#Cc1ccccc1
NNC(=O)CC1CC[NH+](Cc2ccccc2)CC1 NNC(=O)C[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
NNC(=O)CC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] NNC(=O)CC1CC[NH+](CC1)C[*:1]
NNC(=O)CC1CC[NH+](Cc2ccccc2)CC1 NNC(=O)[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)C[*:1]
COC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c2c(C)cccc2n1C c1coc(c1)[*:1] COC(=O)c1c(NC(=O)CN2CCN(CC2)C(=O)[*:1])c2c(C)cccc2n1C
COC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c2c(C)cccc2n1C COC(=O)[*:1] Cc1cccc2c1c(NC(=O)CN1CCN(CC1)C(=O)c1ccco1)c(n2C)[*:1]
O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1C=C(c2ccco2)N=N1 c1coc(c1)[*:1] O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1C=C(N=N1)[*:1]
O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1C=C(c2ccco2)N=N1 Clc1ccc(cc1)[*:1] O=C(NN=C[*:1])[C@@H]1C=C(N=N1)c1ccco1
CCOc1ccccc1C(=O)OCn1nnc2ccccc21 CCO[*:1] O=C(OCn1nnc2ccccc21)c1ccccc1[*:1]
COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)cc1OC Cc1c(Cl)cccc1[*:1] COc1ccc(cc1OC)-c1nnc(SCC(=O)N[*:1])n1C
O=C(c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-])N1CCCCC1 O=[N+]([O-])[*:1] O=C(c1ccccc1Sc1c(Cl)cccc1[*:1])N1CCCCC1
O=C(c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-])N1CCCCC1 O=C(N1CCCCC1)[*:1] O=[N+]([O-])c1cccc(Cl)c1Sc1ccccc1[*:1]
CN(C(=O)NCc1cccnc1-n1cncn1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)NCc1cccnc1-n1cncn1)[*:1]
CN(C(=O)NCc1cccnc1-n1cncn1)C1CCCCC1 c1ncn(n1)[*:1] CN(C(=O)NCc1cccnc1[*:1])C1CCCCC1
C[C@@H](CC(=O)N[C@H](C)c1cccc(N2CCCC2)c1)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@@H](CC(=O)N[C@H](C)c1cccc(c1)N1CCCC1)NC(=O)[*:1]
C[C@@H](CC(=O)N[C@H](C)c1cccc(N2CCCC2)c1)NC(=O)C1CCCC1 C1CCN(C1)[*:1] C[C@@H](CC(=O)N[C@H](C)c1cccc(c1)[*:1])NC(=O)C1CCCC1
C[C@@H](CC(=O)N[C@H](C)c1cccc(N2CCCC2)c1)NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 C[C@@H](CC(=O)N[C@H](C)c1cccc(c1)N1CCCC1)[*:1]
O=C(NCCn1cccn1)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 FC(F)(F)[*:1] O=C(NCCn1cccn1)c1csc2nc(cn12)-c1cccc(c1)[*:1]
O=C(NCCn1cccn1)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 c1cnn(c1)CC[*:1] O=C(N[*:1])c1csc2nc(cn12)-c1cccc(c1)C(F)(F)F
O=C(NCCn1cccn1)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 c1cnn(c1)[*:1] O=C(NCC[*:1])c1csc2nc(cn12)-c1cccc(c1)C(F)(F)F
O=C(NCCn1cccn1)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 c1cnn(c1)C[*:1] O=C(NC[*:1])c1csc2nc(cn12)-c1cccc(c1)C(F)(F)F
C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1N(C)C FC(F)(F)[*:1] C[C@H](N[C@@H]1CCN(C[*:1])C1=O)c1ccc(F)cc1N(C)C
C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1N(C)C FC(F)(F)C[*:1] C[C@H](N[C@@H]1CCN(C1=O)[*:1])c1ccc(F)cc1N(C)C
C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1N(C)C CN(C)[*:1] C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1[*:1]
C[C@@H]1CCN(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)[C@H](C)C1 O=S1(=O)CCN(CC1)[*:1] C[C@@H]1CCN(C(=O)Nc2cccc(c2)[*:1])[C@H](C)C1
CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cc[nH]n2)C1 c1cncc(c1)[*:1] CCNC(=O)[C@@]1(CCCN(C1)C(=O)c1cc[nH]n1)Cc1ccccc1[*:1]
CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cc[nH]n2)C1 CCNC(=O)[*:1] O=C(c1cc[nH]n1)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C1)[*:1]
C[C@@H](NC(=O)NC[C@@H](O)c1ccco1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)NC[C@@H](O)c1ccco1)[*:1]
C[C@@H](NC(=O)NC[C@@H](O)c1ccco1)c1ccccc1Cl c1coc(c1)[*:1] C[C@@H](NC(=O)NC[C@@H](O)[*:1])c1ccccc1Cl
C[C@@H](NC(=O)NC[C@@H](O)c1ccco1)c1ccccc1Cl O[C@@H](c1ccco1)[*:1] C[C@@H](NC(=O)NC[*:1])c1ccccc1Cl
CC[C@H](NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)C=C1CN(C1)C(=O)OC(C)(C)C)[*:1]
CC[C@H](NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 CC(C)(C)[*:1] CC[C@H](NC(=O)C=C1CN(C1)C(=O)O[*:1])c1ccc(Cl)cc1
CC(C)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc1 CC(C)C(=O)N[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc1 CC(C)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)(C)c1cc(C[C@@H]2C[C@H]([NH3+])C2(C)C)no1 CC(C)(C)[*:1] CC1(C)[C@@H]([NH3+])C[C@H]1Cc1cc(on1)[*:1]
N#CCCCSc1n[nH]c(=O)n1C[C@H]1CCCO1 N#CCCC[*:1] O=c1[nH]nc(S[*:1])n1C[C@H]1CCCO1
N#CCCCSc1n[nH]c(=O)n1C[C@H]1CCCO1 N#CCC[*:1] O=c1[nH]nc(SC[*:1])n1C[C@H]1CCCO1
N#CCCCSc1n[nH]c(=O)n1C[C@H]1CCCO1 N#CCCCS[*:1] O=c1[nH]nc(n1C[C@H]1CCCO1)[*:1]
N#CCCCSc1n[nH]c(=O)n1C[C@H]1CCCO1 N#CC[*:1] O=c1[nH]nc(SCC[*:1])n1C[C@H]1CCCO1
N#CCCCSc1n[nH]c(=O)n1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] N#CCCCSc1n[nH]c(=O)n1C[*:1]
N#CCCCSc1n[nH]c(=O)n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] N#CCCCSc1n[nH]c(=O)n1[*:1]
Cn1c(CNC(=O)c2cccc(Cl)c2)nnc1SCC(=O)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] Cn1c(CNC(=O)c2cccc(Cl)c2)nnc1SCC(=O)N[*:1]
Cn1c(CNC(=O)c2cccc(Cl)c2)nnc1SCC(=O)Nc1cccc(Br)c1 Clc1cccc(c1)[*:1] Cn1c(CNC(=O)[*:1])nnc1SCC(=O)Nc1cccc(Br)c1
COc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+]2CCCCCC2)cc1 Cn1cccc1[*:1] COc1ccc(cc1)NC(=O)C(=O)NC[C@H]([NH+]1CCCCCC1)[*:1]
COc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+]2CCCCCC2)cc1 COc1ccc(cc1)[*:1] Cn1cccc1[C@@H](CNC(=O)C(=O)N[*:1])[NH+]1CCCCCC1
CSc1ccccc1-c1nnc(NC(=O)c2ccc(C#N)cc2)o1 N#Cc1ccc(cc1)[*:1] CSc1ccccc1-c1nnc(NC(=O)[*:1])o1
CSc1ccccc1-c1nnc(NC(=O)c2ccc(C#N)cc2)o1 CSc1ccccc1[*:1] N#Cc1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
CC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(C(C)C)cc3)C2=O)c1 CC(=O)[*:1] CC(C)c1ccc(cc1)N1CCN(CC(=O)Nc2cccc(c2)[*:1])C1=O
CC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(C(C)C)cc3)C2=O)c1 CC(=O)c1cccc(c1)[*:1] CC(C)c1ccc(cc1)N1CCN(CC(=O)N[*:1])C1=O
CC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(C(C)C)cc3)C2=O)c1 CC(C)c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)CN1CCN(C1=O)[*:1]
CC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(C(C)C)cc3)C2=O)c1 CC(C)[*:1] CC(=O)c1cccc(c1)NC(=O)CN1CCN(C1=O)c1ccc(cc1)[*:1]
O=C(NCc1ccccc1Cl)[C@@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] O=C(NCc1ccccc1Cl)[C@@H]1CCCN1C(=O)[*:1]
O=C(NCc1ccccc1Cl)[C@@H]1CCCN1C(=O)C1CC1 Clc1ccccc1[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)C1CC1
N#CC1(NC(=O)c2nc(-c3ccccc3)cs2)CCOCC1 c1ccc(cc1)[*:1] N#CC1(CCOCC1)NC(=O)c1nc(cs1)[*:1]
CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ncc(Cl)c(C)c3Cl)C2=O)cc1 CCCc1ccc(cc1)[*:1] Cc1c(Cl)cnc(NC(=O)CN2C(=O)N[C@](C)(C2=O)[*:1])c1Cl
CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ncc(Cl)c(C)c3Cl)C2=O)cc1 CCC[*:1] Cc1c(Cl)cnc(NC(=O)CN2C(=O)N[C@@](C)(C2=O)c2ccc(cc2)[*:1])c1Cl
CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ncc(Cl)c(C)c3Cl)C2=O)cc1 Cc1c(Cl)cnc(c1Cl)[*:1] CCCc1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
O=C(Nc1ccc(SC(F)F)cc1)N1CCN(c2cc[nH+]cc2)CC1 FC(F)S[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(CC1)c1cc[nH+]cc1
O=C(Nc1ccc(SC(F)F)cc1)N1CCN(c2cc[nH+]cc2)CC1 FC(F)[*:1] O=C(Nc1ccc(cc1)S[*:1])N1CCN(CC1)c1cc[nH+]cc1
C[C@H](NC(=O)CCc1nc(-c2cccnc2)no1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)CCc1nc(no1)-c1cccnc1)[*:1]
C[C@H](NC(=O)CCc1nc(-c2cccnc2)no1)[C@@H]1CCCO1 c1cncc(c1)[*:1] C[C@H](NC(=O)CCc1nc(no1)[*:1])[C@@H]1CCCO1
C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCOC(C)(C)C1 Fc1cccc(c1)[*:1] C[C@@H](C(=O)N(C)C[*:1])N1CCOC(C)(C)C1
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)[C@@H](C#N)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] Cc1nn(C)c(C)c1C[C@@H](C)C(=O)[C@@H](C#N)[*:1]
CN(Cc1cnc(N2CCOCC2)nc1)Cc1cc(Cl)cn1C C1CN(CCO1)[*:1] CN(Cc1cnc(nc1)[*:1])Cc1cc(Cl)cn1C
CN(Cc1cnc(N2CCOCC2)nc1)Cc1cc(Cl)cn1C Cn1cc(Cl)cc1[*:1] CN(Cc1cnc(nc1)N1CCOCC1)C[*:1]
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)CSc1ccccc1 c1ccc(cc1)SC[*:1] Cc1nn(-c2ccc(cc2)[N+](=O)[O-])c(C)c1/C=N/NC(=O)[*:1]
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)CSc1ccccc1 c1ccc(cc1)S[*:1] Cc1nn(-c2ccc(cc2)[N+](=O)[O-])c(C)c1/C=N/NC(=O)C[*:1]
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)CSc1ccccc1 O=[N+]([O-])[*:1] Cc1nn(-c2ccc(cc2)[*:1])c(C)c1/C=N/NC(=O)CSc1ccccc1
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)CSc1ccccc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=N/NC(=O)CSc1ccccc1)[*:1]
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)CSc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(-c2ccc(cc2)[N+](=O)[O-])c(C)c1/C=N/NC(=O)CS[*:1]
CCc1ccccc1NC(=O)[C@@H](CC)Sc1nc2cccnc2[nH]1 CCc1ccccc1[*:1] CC[C@@H](Sc1nc2cccnc2[nH]1)C(=O)N[*:1]
C[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[NH+](C)CC3)cc([N+](=O)[O-])c2)CC1 C[NH+]1CCN(CC1)C(=O)[*:1] C[NH+]1CCN(CC1)C(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
C[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[NH+](C)CC3)cc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)C(=O)c1cc(cc(c1)[*:1])C(=O)N1CC[NH+](C)CC1
O=C(Nc1nc2c(s1)CN(C(=O)COc1ccccc1F)CC2)c1ccco1 Fc1ccccc1O[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)C[*:1])c1ccco1
O=C(Nc1nc2c(s1)CN(C(=O)COc1ccccc1F)CC2)c1ccco1 Fc1ccccc1OC[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])c1ccco1
O=C(Nc1nc2c(s1)CN(C(=O)COc1ccccc1F)CC2)c1ccco1 O=C(N[*:1])c1ccco1 O=C(COc1ccccc1F)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)COc1ccccc1F)CC2)c1ccco1 Fc1ccccc1[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)CO[*:1])c1ccco1
O=C(Nc1nc2c(s1)CN(C(=O)COc1ccccc1F)CC2)c1ccco1 c1coc(c1)[*:1] O=C(COc1ccccc1F)N1CCc2nc(NC(=O)[*:1])sc2C1
c1cc(N2CC[NH+](C3CCSCC3)CC2)ncn1 C1CC(CCS1)[*:1] c1cc(ncn1)N1CC[NH+](CC1)[*:1]
c1cc(N2CC[NH+](C3CCSCC3)CC2)ncn1 c1cc(ncn1)[*:1] C1CC(CCS1)[NH+]1CCN(CC1)[*:1]
CCOc1ncccc1CNC(=O)c1cc(Cl)c2c(c1)OCO2 CCO[*:1] O=C(NCc1cccnc1[*:1])c1cc(Cl)c2OCOc2c1
C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCC(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[*:1]
CC(C)CC1(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCCC1 CC(C)C[*:1] C1CCC(C1)(C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[*:1]
CC(C)CC1(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCCC1 CC(C)[*:1] C1CCC(C1)(C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C[*:1]
CCOc1ccc(-c2nc(CN3CCNC(=O)[C@@H]3C(C)C)cs2)cc1OC CC(C)[*:1] CCOc1ccc(cc1OC)-c1nc(cs1)CN1CCNC(=O)[C@H]1[*:1]
CCOc1ccc(-c2nc(CN3CCNC(=O)[C@@H]3C(C)C)cs2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])-c1nc(cs1)CN1CCNC(=O)[C@@H]1C(C)C
C#CCNC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 C#CCNC(=O)[*:1] CC(=O)N[C@H](C[*:1])c1ccc(C)cc1
C#CCNC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 C#CC[*:1] CC(=O)N[C@H](CC(=O)N[*:1])c1ccc(C)cc1
C#CCNC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 CC(=O)N[*:1] C#CCNC(=O)C[C@@H](c1ccc(C)cc1)[*:1]
Cc1cc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c(C)n1Cc1ccccn1 c1ccc(nc1)[*:1] Cc1cc(C(=O)N[C@H]2CC[C@H](C2)[NH+](C)C)c(C)n1C[*:1]
Cc1cc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c(C)n1Cc1ccccn1 c1ccc(C[*:1])nc1 Cc1cc(C(=O)N[C@H]2CC[C@H](C2)[NH+](C)C)c(C)n1[*:1]
CC(C)(C)OC(=O)NC[C@@H](Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 Fc1ccc(cc1)[*:1] CC(C)(C)OC(=O)NC[C@@H](C[*:1])[C@@H]1CCCC[NH2+]1
CC(C)(C)OC(=O)NC[C@@H](Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 CC(C)(C)OC(=O)N[*:1] Fc1ccc(cc1)C[C@H](C[*:1])[C@@H]1CCCC[NH2+]1
CC(C)(C)OC(=O)NC[C@@H](Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 Fc1ccc(cc1)C[*:1] CC(C)(C)OC(=O)NC[C@@H]([C@@H]1CCCC[NH2+]1)[*:1]
CC(C)(C)OC(=O)NC[C@@H](Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 CC(C)(C)[*:1] O=C(NC[C@@H](Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1)O[*:1]
O=C(c1cccc(OCC(F)F)n1)N1CCC[C@H]1c1ccncc1 FC(F)C[*:1] O=C(c1cccc(n1)O[*:1])N1CCC[C@H]1c1ccncc1
O=C(c1cccc(OCC(F)F)n1)N1CCC[C@H]1c1ccncc1 FC(F)[*:1] O=C(c1cccc(n1)OC[*:1])N1CCC[C@H]1c1ccncc1
O=C(c1cccc(OCC(F)F)n1)N1CCC[C@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(c1cccc(n1)OCC(F)F)N1CCC[C@@H]1[*:1]
O=C(c1cccc(OCC(F)F)n1)N1CCC[C@H]1c1ccncc1 FC(F)CO[*:1] O=C(c1cccc(n1)[*:1])N1CCC[C@H]1c1ccncc1
FC(F)(F)[C@@H]1CN(CCCc2cccnc2)CCO1 c1cncc(c1)[*:1] FC(F)(F)[C@@H]1CN(CCC[*:1])CCO1
FC(F)(F)[C@@H]1CN(CCCc2cccnc2)CCO1 FC(F)(F)[*:1] c1cncc(c1)CCCN1CCO[C@@H](C1)[*:1]
CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)N[C@H](C)C(=O)N[*:1]
CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(C#N)cc2)c1 CC(=O)N[*:1] C[C@@H](Nc1cccc(c1)[*:1])C(=O)Nc1ccc(C#N)cc1
Cc1cc(NC(=O)C2CC2)sc1C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] Cc1cc(NC(=O)C2CC2)sc1C(=O)NC[C@@H]1CCCN(C1)[*:1]
Cc1cc(NC(=O)C2CC2)sc1C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 C1CC1[*:1] Cc1cc(NC(=O)[*:1])sc1C(=O)NC[C@@H]1CCCN(C1)c1ncccn1
Cc1cc(NC(=O)C2CC2)sc1C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 O=C(N[*:1])C1CC1 Cc1cc(sc1C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CC(C)CCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 CC(C)CCO[*:1] C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1)[*:1]
CC(C)CCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 CC(C)C[*:1] C[C@@H](OC[*:1])C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1
CC(C)CCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 CC(C)CCO[C@H](C)[*:1] O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)[*:1]
CC(C)CCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 CC(C)[*:1] C[C@@H](OCC[*:1])C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1
CC(C)CCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 CC(C)CC[*:1] C[C@@H](O[*:1])C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1
CC(C)CCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)CCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[*:1]
Cc1cc2n[nH]c(=O)n2c(NC2CCCC2)n1 C1CCC(C1)[*:1] Cc1cc2n[nH]c(=O)n2c(n1)N[*:1]
CCC[NH2+]CCCCc1nc(C)cs1 CCC[*:1] Cc1csc(CCCC[NH2+][*:1])n1
CCOC(=O)NNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)NNC(=O)c1cn(nc1[*:1])-c1ccc(C)cc1
CCOC(=O)NNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 Cc1ccc(cc1)[*:1] CCOC(=O)NNC(=O)c1cn(nc1-c1ccccc1)[*:1]
CCOC(=O)NNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 CCOC(=O)NNC(=O)[*:1] Cc1ccc(cc1)-n1cc(c(n1)-c1ccccc1)[*:1]
CC(C)CC1(c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CCC1 CC(C)[*:1] CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1(CCC1)C[*:1]
CC(C)CC1(c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CCC1 CS(=O)(=O)[*:1] CC(C)CC1(CCC1)c1nc(no1)-c1ccc(cc1)[*:1]
CC(C)CC1(c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CCC1 CC(C)C[*:1] CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1(CCC1)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(C(C)C)C3=O)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C(C)C)[C@H](c12)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(C(C)C)C3=O)cc1 Cc1ccc(cc1)[*:1] CC(C)N1C(=O)c2[nH]nc(c2[C@H]1c1ccc(Cl)cc1)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(C(C)C)C3=O)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N([C@H](c3ccc(Cl)cc3)c12)[*:1]
O=C(CCn1ccccc1=O)NNc1ccc(-c2ccccc2)nn1 O=c1ccccn1[*:1] O=C(CC[*:1])NNc1ccc(nn1)-c1ccccc1
O=C(CCn1ccccc1=O)NNc1ccc(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(CCn1ccccc1=O)NNc1ccc(nn1)[*:1]
O=C(CCn1ccccc1=O)NNc1ccc(-c2ccccc2)nn1 O=c1ccccn1C[*:1] O=C(C[*:1])NNc1ccc(nn1)-c1ccccc1
CC(C)CC1(CNC(=O)Cn2nc3ccccn3c2=O)CCCC1 CC(C)[*:1] O=C(Cn1nc2ccccn2c1=O)NCC1(CCCC1)C[*:1]
CC(C)CC1(CNC(=O)Cn2nc3ccccn3c2=O)CCCC1 CC(C)C[*:1] O=C(Cn1nc2ccccn2c1=O)NCC1(CCCC1)[*:1]
COc1ccc(C)cc1CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O c1ccc(cc1)C[*:1] COc1ccc(C)cc1CN1C(=O)N[C@](C)(C[*:1])C1=O
COc1ccc(C)cc1CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O c1ccc(cc1)CC[*:1] COc1ccc(C)cc1CN1C(=O)N[C@](C)(C1=O)[*:1]
COc1ccc(C)cc1CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O c1ccc(cc1)[*:1] COc1ccc(C)cc1CN1C(=O)N[C@](C)(CC[*:1])C1=O
Cc1ccc(OCC(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1 O=C([O-])[*:1] Cc1ccc(cc1)OCC(=O)NC(=S)Nc1cccc(c1C)[*:1]
Cc1ccc(OCC(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1 Cc1ccc(cc1)O[*:1] Cc1c(cccc1C(=O)[O-])NC(=S)NC(=O)C[*:1]
Cc1ccc(OCC(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(cccc1C(=O)[O-])NC(=S)NC(=O)CO[*:1]
COCc1cccc(OCC2(CN3C(=O)N[C@@]4(CCc5ccccc5C4)C3=O)CC2)c1 COC[*:1] O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1CC1(CC1)COc1cccc(c1)[*:1]
COCc1cccc(OCC2(CN3C(=O)N[C@@]4(CCc5ccccc5C4)C3=O)CC2)c1 COCc1cccc(c1)[*:1] O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1CC1(CC1)CO[*:1]
COCc1cccc(OCC2(CN3C(=O)N[C@@]4(CCc5ccccc5C4)C3=O)CC2)c1 COCc1cccc(c1)O[*:1] O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1CC1(CC1)C[*:1]
C[C@@H]1CCN(C(=O)NCc2cccnc2OCc2ccccc2)C[C@@H]1O c1ccc(cc1)C[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCc1cccnc1O[*:1]
C[C@@H]1CCN(C(=O)NCc2cccnc2OCc2ccccc2)C[C@@H]1O c1ccc(cc1)CO[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCc1cccnc1[*:1]
C[C@@H]1CCN(C(=O)NCc2cccnc2OCc2ccccc2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCc1cccnc1OC[*:1]
C[C@@H]1SCCC[C@]1(CC(=O)[O-])N1CCOCC1 O=C([O-])C[*:1] C[C@@H]1SCCC[C@@]1(N1CCOCC1)[*:1]
C[C@@H]1SCCC[C@]1(CC(=O)[O-])N1CCOCC1 O=C([O-])[*:1] C[C@@H]1SCCC[C@]1(C[*:1])N1CCOCC1
O=C(NCCNC(=O)c1nc(-c2ccccc2F)no1)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCCNC(=O)c1nc(no1)-c1ccccc1F)c1ccc(Cl)c(c1)[*:1]
O=C(NCCNC(=O)c1nc(-c2ccccc2F)no1)c1ccc(Cl)c([N+](=O)[O-])c1 Fc1ccccc1[*:1] O=C(NCCNC(=O)c1nc(no1)[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(NCCNC(=O)c1nc(-c2ccccc2F)no1)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])c1cc(ccc1Cl)[*:1] O=C(NCCNC(=O)[*:1])c1nc(no1)-c1ccccc1F
Cc1nc2cc(NC(=O)C(=O)N[C@H]3CCN(C(=O)C(C)C)C3)ccc2o1 CC(C)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@H]1CCN(C1)C(=O)[*:1]
COCCn1cnnc1S[C@H](C)C(=O)Nc1cccc(Cl)c1C COCC[*:1] Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nncn1[*:1]
COCCn1cnnc1S[C@H](C)C(=O)Nc1cccc(Cl)c1C COC[*:1] Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nncn1C[*:1]
CC(C)C[NH+](Cc1ccc(C(N)=O)cc1N)C1CCCC1 CC(C)C[*:1] NC(=O)c1ccc(C[NH+](C2CCCC2)[*:1])c(N)c1
CC(C)C[NH+](Cc1ccc(C(N)=O)cc1N)C1CCCC1 NC(=O)[*:1] CC(C)C[NH+](Cc1ccc(cc1N)[*:1])C1CCCC1
CC(C)C[NH+](Cc1ccc(C(N)=O)cc1N)C1CCCC1 C1CCC(C1)[*:1] CC(C)C[NH+](Cc1ccc(cc1N)C(N)=O)[*:1]
CC(C)C[NH+](Cc1ccc(C(N)=O)cc1N)C1CCCC1 CC(C)[*:1] NC(=O)c1ccc(C[NH+](C[*:1])C2CCCC2)c(N)c1
O=C(NNc1ccccc1)Nc1cccc(OCc2cscn2)c1 c1nc(cs1)CO[*:1] O=C(NNc1ccccc1)Nc1cccc(c1)[*:1]
O=C(NNc1ccccc1)Nc1cccc(OCc2cscn2)c1 c1nc(cs1)C[*:1] O=C(NNc1ccccc1)Nc1cccc(c1)O[*:1]
O=C(NNc1ccccc1)Nc1cccc(OCc2cscn2)c1 c1ccc(cc1)[*:1] O=C(NN[*:1])Nc1cccc(c1)OCc1cscn1
O=C(NNc1ccccc1)Nc1cccc(OCc2cscn2)c1 c1nc(cs1)[*:1] O=C(NNc1ccccc1)Nc1cccc(c1)OC[*:1]
C[C@@H](O)C[C@@H](C)CNc1ccc(Br)cn1 C[C@@H](O)C[*:1] C[C@@H](CNc1ccc(Br)cn1)[*:1]
C[C@@H](O)C[C@@H](C)CNc1ccc(Br)cn1 C[C@@H](O)[*:1] C[C@@H](CNc1ccc(Br)cn1)C[*:1]
Cc1ccc([C@@H](C)OC(=O)CCNC(=O)c2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)[C@@H](C)OC(=O)CCNC(=O)[*:1]
Cc1ccc([C@@H](C)OC(=O)CCNC(=O)c2ccc(F)cc2F)cc1 Cc1ccc(cc1)[*:1] C[C@@H](OC(=O)CCNC(=O)c1ccc(F)cc1F)[*:1]
CC(C)(C)OC(=O)N1CC(=CC(=O)Nc2ccccc2F)C1 CC(C)(C)[*:1] O=C(C=C1CN(C1)C(=O)O[*:1])Nc1ccccc1F
CC(C)(C)OC(=O)N1CC(=CC(=O)Nc2ccccc2F)C1 Fc1ccccc1[*:1] CC(C)(C)OC(=O)N1CC(=CC(=O)N[*:1])C1
COC(=O)C1=C(C)N=C(c2ccco2)[C@H]1[C@@H]1C(=O)Nc2ccccc21 COC(=O)[*:1] CC1N=C(c2ccco2)[C@H](C=1[*:1])[C@@H]1C(=O)Nc2ccccc21
COC(=O)C1=C(C)N=C(c2ccco2)[C@H]1[C@@H]1C(=O)Nc2ccccc21 c1coc(c1)[*:1] COC(=O)C1=C(C)N=C([C@H]1[C@@H]1C(=O)Nc2ccccc21)[*:1]
C[C@@H]1CCC[C@@H](C(=O)N2CCC(OCc3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)C[*:1] C[C@@H]1CCC[C@H](C1)C(=O)N1CCC(CC1)O[*:1]
C[C@@H]1CCC[C@@H](C(=O)N2CCC(OCc3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)[*:1] C[C@@H]1CCC[C@H](C1)C(=O)N1CCC(CC1)OC[*:1]
COc1ccc(NC(=O)[C@H](NC[C@@H]2COc3ccccc3O2)c2ccccc2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(N[*:1])[C@H](NC[C@@H]1COc2ccccc2O1)c1ccccc1
COc1ccc(NC(=O)[C@H](NC[C@@H]2COc3ccccc3O2)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@H](NC[C@@H]1COc2ccccc2O1)[*:1]
COc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2Cl)C[S@](=O)C3)cc1 Clc1ccc(Cl)c(c1)[*:1] COc1ccc(cc1)-n1nc2C[S@@](=O)Cc2c1NC(=O)[*:1]
COc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2Cl)C[S@](=O)C3)cc1 COc1ccc(cc1)[*:1] O=C(Nc1c2C[S@](=O)Cc2nn1[*:1])c1cc(Cl)ccc1Cl
Cc1ccc(O)c(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] Cc1ccc(O)c(c1)C(=O)N1C[C@H](O)C[C@H]1c1cccc(c1)[*:1]
Cc1ccc(O)c(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 Cc1ccc(O)c(c1)[*:1] O=C(N1C[C@H](O)C[C@H]1c1cccc(c1)C(F)(F)F)[*:1]
CCOc1cc2c(cc1NC(=O)Cc1csc(-c3ccsc3)n1)O[C@H](C)C2 c1cc(cs1)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)Cc1csc(n1)[*:1]
CCOc1cc2c(cc1NC(=O)Cc1csc(-c3ccsc3)n1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)NC(=O)Cc1csc(n1)-c1ccsc1)[*:1]
C[NH+](Cc1ccc(Br)cc1)Cn1nc(-c2cccs2)c2ccccc2c1=O c1csc(c1)[*:1] C[NH+](Cc1ccc(Br)cc1)Cn1nc(c2ccccc2c1=O)[*:1]
C[NH+](Cc1ccc(Br)cc1)Cn1nc(-c2cccs2)c2ccccc2c1=O Brc1ccc(cc1)[*:1] C[NH+](Cn1nc(-c2cccs2)c2ccccc2c1=O)C[*:1]
C[NH+](Cc1ccc(Br)cc1)Cn1nc(-c2cccs2)c2ccccc2c1=O Brc1ccc(cc1)C[*:1] C[NH+](Cn1nc(-c2cccs2)c2ccccc2c1=O)[*:1]
COC(=O)C1(N(C)C(=O)C[C@@H](C)C(C)C)CCCCC1 CC(C)[C@H](C)[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)C[*:1]
COC(=O)C1(N(C)C(=O)C[C@@H](C)C(C)C)CCCCC1 CC(C)[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)C[C@@H](C)[*:1]
COC(=O)C1(N(C)C(=O)C[C@@H](C)C(C)C)CCCCC1 COC(=O)[*:1] CC(C)[C@H](C)CC(=O)N(C)C1(CCCCC1)[*:1]
COC(=O)C1(N(C)C(=O)C[C@@H](C)C(C)C)CCCCC1 CC(C)[C@H](C)C[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)[*:1]
CC(C)NC(=O)NNC(=O)CCCNC(=O)c1ccsc1 CC(C)[*:1] O=C(CCCNC(=O)c1ccsc1)NNC(=O)N[*:1]
CC(C)NC(=O)NNC(=O)CCCNC(=O)c1ccsc1 c1cc(cs1)[*:1] CC(C)NC(=O)NNC(=O)CCCNC(=O)[*:1]
O=C(NC1CCN(C(=O)c2ccccc2F)CC1)N1CCC[C@@H](CO)C1 Fc1ccccc1[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])N1CCC[C@@H](CO)C1
Cc1nc(Br)ccc1NC(=O)C[C@H](C)n1cccc1 c1ccn(c1)[*:1] Cc1nc(Br)ccc1NC(=O)C[C@H](C)[*:1]
CCn1c(SCc2cccc(C(F)(F)F)c2)nc2c(c1=O)SCC2 FC(F)(F)[*:1] CCn1c(nc2CCSc2c1=O)SCc1cccc(c1)[*:1]
O=C(Cn1cnnn1)Nc1cccc(NC(=O)c2ccccc2)c1 c1nnnn1C[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1ccccc1
O=C(Cn1cnnn1)Nc1cccc(NC(=O)c2ccccc2)c1 c1nnnn1[*:1] O=C(C[*:1])Nc1cccc(c1)NC(=O)c1ccccc1
O=C(Cn1cnnn1)Nc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Cn1cnnn1)Nc1cccc(c1)NC(=O)[*:1]
C[C@@H](NC(=O)CCc1ccccc1O)C(=O)N1CCOCC1 Oc1ccccc1[*:1] C[C@@H](NC(=O)CC[*:1])C(=O)N1CCOCC1
CCOC(=O)C1=NN[C@]2(CCc3ccccc3C2=O)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)C1=NN[C@]2(CCc3ccccc3C2=O)[C@@H]1[*:1]
O=C(NO[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(NO[C@H]1CCCCO1)c1cc(ccc1Cl)[*:1]
O=C(NO[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1Cl C1CC[C@@H](OC1)[*:1] O=C(NO[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
Brc1cccc([C@H]2C[C@H](c3ccc(I)cc3)Nc3nnnn32)c1 Brc1cccc(c1)[*:1] Ic1ccc(cc1)[C@H]1C[C@@H](n2nnnc2N1)[*:1]
Brc1cccc([C@H]2C[C@H](c3ccc(I)cc3)Nc3nnnn32)c1 Ic1ccc(cc1)[*:1] Brc1cccc(c1)[C@H]1C[C@H](Nc2nnnn21)[*:1]
C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 C=CC[*:1] C=CCN(C(=O)c1cccc(c1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)[*:1]
C[C@H](O)[C@@H](C)c1ccc(-c2ccccc2)cc1 C[C@H](O)[*:1] C[C@@H](c1ccc(cc1)-c1ccccc1)[*:1]
C[C@H](O)[C@@H](C)c1ccc(-c2ccccc2)cc1 C[C@H](O)[C@@H](C)[*:1] c1ccc(cc1)-c1ccc(cc1)[*:1]
Cc1ccc(CC[S@@](=O)Cc2sc(-c3ccccc3)nc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1nc(sc1C[S@](=O)C[*:1])-c1ccccc1
Cc1ccc(CC[S@@](=O)Cc2sc(-c3ccccc3)nc2C)cc1 Cc1ccc(cc1)[*:1] Cc1nc(sc1C[S@](=O)CC[*:1])-c1ccccc1
Cc1ccc(CC[S@@](=O)Cc2sc(-c3ccccc3)nc2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CC[S@@](=O)Cc1sc(nc1C)[*:1]
C=CC(=O)c1c(Cl)cc(Cl)nc1Cl C=CC(=O)[*:1] Clc1cc(Cl)c(c(Cl)n1)[*:1]
Cc1ccccc1NC(=O)/C=C/c1ccc(Br)s1 Brc1ccc(s1)[*:1] Cc1ccccc1NC(=O)C=C[*:1]
O=C1C[C@H](C(=O)N2C[C@H](O)[C@H](O)C2)CN1CC1CC1 C1CC1C[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1C[C@H](O)[C@H](O)C1
O=C1C[C@H](C(=O)N2C[C@H](O)[C@H](O)C2)CN1CC1CC1 C1CC1[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1C[C@H](O)[C@H](O)C1
CCCS(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 CCCS(=O)(=O)N[*:1] O=S(=O)(c1ccc(F)cc1)N1CCCc2cc(ccc21)[*:1]
CCCS(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 CCC[*:1] O=S(=O)(c1ccc(F)cc1)N1CCCc2cc(ccc21)NS(=O)(=O)[*:1]
CCCS(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCS(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)Nc2cnccc2C)C1 COC(=O)[*:1] Cc1ccncc1NC(=O)N1CC[C@@](F)(C1)[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C1 O=[N+]([O-])[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)c1n[nH]c2ccc(cc12)[*:1]
Cc1noc(CCC(=O)OC(C)C)n1 CC(C)[*:1] Cc1noc(CCC(=O)O[*:1])n1
Cc1ccccc1[C@]1(CC[NH+]2CCCCC2)CCOC(C)(C)C1 Cc1ccccc1[*:1] CC1(C)C[C@@](CCO1)(CC[NH+]1CCCCC1)[*:1]
CC(C)NC(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 CC(C)[*:1] O=C(COC(=O)c1nn(-c2ccc(F)cc2)c2CCCc12)N[*:1]
CC(C)NC(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 Fc1ccc(cc1)[*:1] CC(C)NC(=O)COC(=O)c1nn(c2CCCc12)[*:1]
CC(C)NC(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 CC(C)NC(=O)C[*:1] O=C(O[*:1])c1nn(-c2ccc(F)cc2)c2CCCc12
CC(C)NC(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 CC(C)NC(=O)[*:1] O=C(OC[*:1])c1nn(-c2ccc(F)cc2)c2CCCc12
O=C(CNC(=O)c1cccc(-n2cnnn2)c1)Nc1cc(Cl)ccc1Cl c1nnnn1[*:1] O=C(CNC(=O)c1cccc(c1)[*:1])Nc1cc(Cl)ccc1Cl
O=C(CNC(=O)c1cccc(-n2cnnn2)c1)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(CNC(=O)c1cccc(c1)-n1cnnn1)N[*:1]
COc1ccc(/C=C/c2noc(C)c2NC(=O)COc2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] Cc1onc(C=C[*:1])c1NC(=O)COc1ccccc1Cl
COc1ccc(/C=C/c2noc(C)c2NC(=O)COc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(/C=C/c2noc(C)c2NC(=O)CO[*:1])cc1
COc1ccc(/C=C/c2noc(C)c2NC(=O)COc2ccccc2Cl)cc1 Clc1ccccc1OC[*:1] COc1ccc(/C=C/c2noc(C)c2NC(=O)[*:1])cc1
COc1ccc(/C=C/c2noc(C)c2NC(=O)COc2ccccc2Cl)cc1 Clc1ccccc1O[*:1] COc1ccc(/C=C/c2noc(C)c2NC(=O)C[*:1])cc1
CCOC(=O)Cn1c([C@H](C)Br)nc2ccccc2c1=O CCOC(=O)[*:1] C[C@H](Br)c1nc2ccccc2c(=O)n1C[*:1]
CCOC(=O)Cn1c([C@H](C)Br)nc2ccccc2c1=O CCOC(=O)C[*:1] C[C@H](Br)c1nc2ccccc2c(=O)n1[*:1]
Cc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)n2)s1 Cc1ccc(s1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cccc(c1)S(=O)(=O)NC[C@@H]1CCCO1
CC[NH+]1CCN(c2cc(CNC(=O)NC3[C@@H](C)CCC[C@@H]3C)cc[nH+]2)CC1 C[C@H]1CCC[C@H](C)C1[*:1] CC[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)N[*:1]
Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCC[NH+](C)C1CCCCC1 Brc1ccc(s1)[*:1] Cc1onc(c1C(=O)NCCC[NH+](C)C1CCCCC1)[*:1]
Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCC[NH+](C)C1CCCCC1 C1CCC(CC1)[*:1] Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCC[NH+](C)[*:1]
CCCN1C(=O)[C@]2(CC(O)=Nc3[nH]ncc32)c2cc(F)ccc21 CCC[*:1] O=C1N(c2ccc(F)cc2[C@@]12CC(O)=Nc1[nH]ncc12)[*:1]
CC(C)[C@@H](NCC(=O)NC1CC1)c1ccccc1 CC(C)[*:1] O=C(CN[C@@H](c1ccccc1)[*:1])NC1CC1
CC(C)[C@@H](NCC(=O)NC1CC1)c1ccccc1 O=C(NC1CC1)[*:1] CC(C)[C@@H](NC[*:1])c1ccccc1
CC(C)[C@@H](NCC(=O)NC1CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NCC(=O)NC1CC1)[*:1]
CC(C)[C@@H](NCC(=O)NC1CC1)c1ccccc1 C1CC1[*:1] CC(C)[C@@H](NCC(=O)N[*:1])c1ccccc1
COC(=O)c1cccc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)n1 COC(=O)[*:1] C[NH+]1CCC(CC1)N(Cc1ccccc1)C(=O)c1cccc(n1)[*:1]
COC(=O)c1cccc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)n1 c1ccc(cc1)C[*:1] COC(=O)c1cccc(n1)C(=O)N(C1CC[NH+](C)CC1)[*:1]
COC(=O)c1cccc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)n1 c1ccc(cc1)[*:1] COC(=O)c1cccc(n1)C(=O)N(C[*:1])C1CC[NH+](C)CC1
O=C(NCc1ccccc1COCc1ccccc1)c1ccc2[nH]cnc2c1 c1nc2cc(ccc2[nH]1)[*:1] O=C(NCc1ccccc1COCc1ccccc1)[*:1]
O=C(NCc1ccccc1COCc1ccccc1)c1ccc2[nH]cnc2c1 c1ccc(cc1)CO[*:1] O=C(NCc1ccccc1C[*:1])c1ccc2[nH]cnc2c1
O=C(NCc1ccccc1COCc1ccccc1)c1ccc2[nH]cnc2c1 c1ccc(cc1)C[*:1] O=C(NCc1ccccc1CO[*:1])c1ccc2[nH]cnc2c1
O=C(NCc1ccccc1COCc1ccccc1)c1ccc2[nH]cnc2c1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1COC[*:1])c1ccc2[nH]cnc2c1
O=C(NCc1ccccc1COCc1ccccc1)c1ccc2[nH]cnc2c1 c1ccc(cc1)COC[*:1] O=C(NCc1ccccc1[*:1])c1ccc2[nH]cnc2c1
CC(C)(C)OC(=O)N1CCC(NC(=O)[C@@H]2SCCc3ccccc32)CC1 CC(C)(C)[*:1] O=C(NC1CCN(CC1)C(=O)O[*:1])[C@@H]1SCCc2ccccc21
C[C@H](c1ccco1)N(C(=O)NCCCc1nc2ccccc2s1)C1CC1 C1CC1[*:1] C[C@H](c1ccco1)N(C(=O)NCCCc1nc2ccccc2s1)[*:1]
C[C@H](c1ccco1)N(C(=O)NCCCc1nc2ccccc2s1)C1CC1 c1coc(c1)[*:1] C[C@H](N(C(=O)NCCCc1nc2ccccc2s1)C1CC1)[*:1]
CCOCCS(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C CCO[*:1] C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CC[*:1]
CCOCCS(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C CCOCC[*:1] C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)[*:1]
CCOCCS(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C CCOC[*:1] C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)C[*:1]
CC(C)CCNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 CC(C)CCNC(=O)[*:1] O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1C[*:1]
CC(C)CCNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 c1ccc(cc1)[*:1] CC(C)CCNC(=O)CN1C(=O)CN=C(c2cc(Cl)ccc21)[*:1]
CC(C)CCNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 CC(C)C[*:1] O=C(CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21)NC[*:1]
CC(C)CCNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 CC(C)CC[*:1] O=C(CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21)N[*:1]
CC(C)CCNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 CC(C)[*:1] O=C(CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21)NCC[*:1]
CC(C)CCNC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 CC(C)CCNC(=O)C[*:1] O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1[*:1]
COC(=O)c1sc(NC(=O)[C@H](C)c2cccc(C)c2)nc1C1CC1 COC(=O)[*:1] Cc1cccc(c1)[C@@H](C)C(=O)Nc1nc(c(s1)[*:1])C1CC1
COC(=O)c1sc(NC(=O)[C@H](C)c2cccc(C)c2)nc1C1CC1 Cc1cccc(c1)[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)[C@H](C)[*:1]
COC(=O)c1sc(NC(=O)[C@H](C)c2cccc(C)c2)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)[C@H](C)c1cccc(C)c1
C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2ccc(N(C)C)cc2)C1 CN(C)[*:1] C[C@@H]1C[C@H]([NH3+])CN(C1)C(=O)c1ccc(cc1)[*:1]
CN(C)C(=O)C(=O)N(C)[C@@H]1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O CN(C)C(=O)C(=O)N(C)[*:1] O=C(NCc1ccc(F)cc1)c1nc2[C@@H](CCCCn2c(=O)c1O)[*:1]
CN(C)C(=O)C(=O)N(C)[C@@H]1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O O=C(NCc1ccc(F)cc1)[*:1] CN(C)C(=O)C(=O)N(C)[C@@H]1CCCCn2c1nc(c(O)c2=O)[*:1]
CN(C)C(=O)C(=O)N(C)[C@@H]1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O Fc1ccc(cc1)C[*:1] CN(C)C(=O)C(=O)N(C)[C@@H]1CCCCn2c1nc(C(=O)N[*:1])c(O)c2=O
CN(C)C(=O)C(=O)N(C)[C@@H]1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O Fc1ccc(cc1)[*:1] CN(C)C(=O)C(=O)N(C)[C@@H]1CCCCn2c1nc(C(=O)NC[*:1])c(O)c2=O
C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@@H]1CCc2ccc(F)cc21 O[C@@H](C[*:1])c1ccco1 C[C@H](NC(=O)N[C@@H]1CCc2ccc(F)cc21)[*:1]
C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@@H]1CCc2ccc(F)cc21 O[C@H](c1ccco1)[*:1] C[C@H](C[*:1])NC(=O)N[C@@H]1CCc2ccc(F)cc21
C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@@H]1CCc2ccc(F)cc21 c1coc(c1)[*:1] C[C@H](C[C@H](O)[*:1])NC(=O)N[C@@H]1CCc2ccc(F)cc21
CCC[C@@H]1C[NH2+][C@@H](CC)CN1Cc1cc(F)cc(Br)c1 CCC[*:1] CC[C@H]1CN(Cc2cc(F)cc(Br)c2)[C@@H](C[NH2+]1)[*:1]
CCc1ccsc1CNC(=O)N[C@@H](C)C[C@@H](O)c1ccco1 CCc1ccsc1[*:1] C[C@@H](C[C@@H](O)c1ccco1)NC(=O)NC[*:1]
CCc1ccsc1CNC(=O)N[C@@H](C)C[C@@H](O)c1ccco1 c1coc(c1)[*:1] CCc1ccsc1CNC(=O)N[C@@H](C)C[C@@H](O)[*:1]
CCc1ccsc1CNC(=O)N[C@@H](C)C[C@@H](O)c1ccco1 O[C@@H](c1ccco1)[*:1] CCc1ccsc1CNC(=O)N[C@@H](C)C[*:1]
COc1ccc(C)cc1NC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 COc1ccc(C)cc1[*:1] O=C(CSc1nc(cc(=O)[nH]1)-c1ccccc1)N[*:1]
COc1ccc(C)cc1NC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)CSc1nc(cc(=O)[nH]1)[*:1]
COc1ccc(-c2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)/C=C/c1ccccc1[N+](=O)[O-]
COc1ccc(-c2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1nc(NC(=O)/C=C/c2ccccc2[*:1])sc1C
COc1ccc(-c2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2C)cc1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(cc1)-c1nc(NC(=O)C=C[*:1])sc1C
Cc1ccccc1NC(=S)NN1C(=O)CS[C@H]1c1ccccc1C(=O)[O-] Cc1ccccc1[*:1] O=C([O-])c1ccccc1[C@@H]1SCC(=O)N1NC(=S)N[*:1]
Cc1ccccc1NC(=S)NN1C(=O)CS[C@H]1c1ccccc1C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1NC(=S)NN1C(=O)CS[C@H]1c1ccccc1[*:1]
CCCc1c(Cl)nc(-c2ncc[nH]2)nc1Cl c1c[nH]c(n1)[*:1] CCCc1c(Cl)nc(nc1Cl)[*:1]
CCCc1c(Cl)nc(-c2ncc[nH]2)nc1Cl CCC[*:1] Clc1nc(nc(Cl)c1[*:1])-c1ncc[nH]1
COc1ccc(-c2ccc(C(=O)N[C@H](C)C(=O)Nc3cccc(N4CCCC4)c3)c(F)c2)c(F)c1 COc1ccc(c(F)c1)[*:1] C[C@@H](NC(=O)c1ccc(cc1F)[*:1])C(=O)Nc1cccc(c1)N1CCCC1
COc1ccc(-c2ccc(C(=O)N[C@H](C)C(=O)Nc3cccc(N4CCCC4)c3)c(F)c2)c(F)c1 C1CCN(C1)[*:1] COc1ccc(-c2ccc(C(=O)N[C@H](C)C(=O)Nc3cccc(c3)[*:1])c(F)c2)c(F)c1
COc1ccc(-c2ccc(C(=O)N[C@H](C)C(=O)Nc3cccc(N4CCCC4)c3)c(F)c2)c(F)c1 c1cc(cc(c1)[*:1])N1CCCC1 COc1ccc(-c2ccc(C(=O)N[C@H](C)C(=O)N[*:1])c(F)c2)c(F)c1
CCCOc1ccc(Nc2nc3c(c(=O)[nH]2)CCCC3)cc1 CCC[*:1] O=c1[nH]c(nc2CCCCc21)Nc1ccc(cc1)O[*:1]
CCCOc1ccc(Nc2nc3c(c(=O)[nH]2)CCCC3)cc1 CCCO[*:1] O=c1[nH]c(nc2CCCCc21)Nc1ccc(cc1)[*:1]
Cc1nc2ccccc2n1CC(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nc2ccccc2n1CC(=O)NC[*:1]
CC(C)Cn1c(=O)c2cc(F)ccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12 CC(C)[*:1] O=C(CSc1nnc2n(C[*:1])c(=O)c3cc(F)ccc3n12)Nc1ccc(F)cc1
CC(C)Cn1c(=O)c2cc(F)ccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12 CC(C)C[*:1] O=C(CSc1nnc2n(c(=O)c3cc(F)ccc3n12)[*:1])Nc1ccc(F)cc1
CC(C)Cn1c(=O)c2cc(F)ccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12 Fc1ccc(cc1)[*:1] CC(C)Cn1c(=O)c2cc(F)ccc2n2c(nnc12)SCC(=O)N[*:1]
CC(C)Cn1c(=O)c2cc(F)ccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12 O=C(Nc1ccc(F)cc1)[*:1] CC(C)Cn1c(=O)c2cc(F)ccc2n2c(nnc12)SC[*:1]
C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@@H]1C[*:1]
C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@@H]1CC[*:1]
Cc1ccc2c(c1)=C[C@H](CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1)C(=O)[NH+]=2 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C(=O)[*:1])C1CCCCC1
Cc1ccc2c(c1)=C[C@H](CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1)C(=O)[NH+]=2 C1CCC(CC1)[*:1] Cc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc2c(c1)=C[C@H](CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1)C(=O)[NH+]=2 O=[N+]([O-])[*:1] Cc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C(=O)c1cccc(c1)[*:1])C1CCCCC1
CCCS(=O)(=O)N(C)Cc1ncoc1C(C)C CCC[*:1] CC(C)c1ocnc1CN(C)S(=O)(=O)[*:1]
CCCS(=O)(=O)N(C)Cc1ncoc1C(C)C CC(C)[*:1] CCCS(=O)(=O)N(C)Cc1ncoc1[*:1]
CC(C)[C@@H]([NH3+])c1ccn(Cc2cc(Cl)ccc2Cl)c1 CC(C)[*:1] [NH3+][C@@H](c1ccn(c1)Cc1cc(Cl)ccc1Cl)[*:1]
C#CCNCC(=O)N[C@H](C)CC1CC1 C#CCN[*:1] C[C@H](CC1CC1)NC(=O)C[*:1]
C#CCNCC(=O)N[C@H](C)CC1CC1 C#CC[*:1] C[C@H](CC1CC1)NC(=O)CN[*:1]
C#CCNCC(=O)N[C@H](C)CC1CC1 C1CC1C[*:1] C#CCNCC(=O)N[C@H](C)[*:1]
C#CCNCC(=O)N[C@H](C)CC1CC1 C1CC1[*:1] C#CCNCC(=O)N[C@H](C)C[*:1]
Cc1cc(N2CC[C@@](O)(C3CCC3)[C@H](C)C2)cc[nH+]1 C1CC(C1)[*:1] Cc1cc(cc[nH+]1)N1CC[C@@](O)([C@H](C)C1)[*:1]
O=C(CCCc1c[nH]c2ccccc12)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCCc1c[nH]c2ccccc12)NNC(=O)[*:1]
CCN(CCO)c1cncc(OCc2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CCN(CCO)c1cncc(n1)OC[*:1]
CCN(CCO)c1cncc(OCc2cccc(Cl)c2)n1 CCN(CCO)[*:1] Clc1cccc(c1)COc1cncc(n1)[*:1]
CCN(CCO)c1cncc(OCc2cccc(Cl)c2)n1 OCC[*:1] CCN(c1cncc(n1)OCc1cccc(Cl)c1)[*:1]
COC(=O)NCCC(=O)Nc1nc2ccc(Cl)cc2s1 COC(=O)NC[*:1] O=C(C[*:1])Nc1nc2ccc(Cl)cc2s1
COC(=O)NCCC(=O)Nc1nc2ccc(Cl)cc2s1 COC(=O)N[*:1] O=C(CC[*:1])Nc1nc2ccc(Cl)cc2s1
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N(CCC#N)Cc2ccccn2)C1 c1ccc(nc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)N(CCC#N)C[*:1]
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N(CCC#N)Cc2ccccn2)C1 N#CCC[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)N(Cc1ccccn1)[*:1]
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N(CCC#N)Cc2ccccn2)C1 c1ccc(C[*:1])nc1 C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)N(CCC#N)[*:1]
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N(CCC#N)Cc2ccccn2)C1 N#CC[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)N(Cc1ccccn1)C[*:1]
CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O FC(F)(F)[*:1] CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@H]1Sc2ccc(cc2NC1=O)[*:1]
CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O Fc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)C[C@H]1Sc2ccc(cc2NC1=O)C(F)(F)F
CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O O=C(Nc1cccc(F)c1)[*:1] CN(C[*:1])C(=O)C[C@H]1Sc2ccc(cc2NC1=O)C(F)(F)F
Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(nnn1[*:1])[C@@H](C)[NH2+]C[C@@H]1CCCS1(=O)=O
COCOc1ccc(C)cc1Br COC[*:1] Cc1ccc(O[*:1])c(Br)c1
COCOc1ccc(C)cc1Br COCO[*:1] Cc1ccc(c(Br)c1)[*:1]
O=C1CCCN1CC[C@H]1CN(CCN2C(=O)CNC2=O)c2ccccc21 O=C1CNC(=O)N1C[*:1] O=C1CCCN1CC[C@H]1CN(C[*:1])c2ccccc21
O=C1CCCN1CC[C@H]1CN(CCN2C(=O)CNC2=O)c2ccccc21 O=C1CCCN1[*:1] O=C1CNC(=O)N1CCN1C[C@H](CC[*:1])c2ccccc21
O=C1CCCN1CC[C@H]1CN(CCN2C(=O)CNC2=O)c2ccccc21 O=C1CNC(=O)N1[*:1] O=C1CCCN1CC[C@H]1CN(CC[*:1])c2ccccc21
O=C1CCCN1CC[C@H]1CN(CCN2C(=O)CNC2=O)c2ccccc21 O=C1CCCN1CC[*:1] O=C1CNC(=O)N1CCN1C[C@@H](c2ccccc21)[*:1]
O=C1CCCN1CC[C@H]1CN(CCN2C(=O)CNC2=O)c2ccccc21 O=C1CCCN1C[*:1] O=C1CNC(=O)N1CCN1C[C@H](C[*:1])c2ccccc21
Cc1ccccc1C(=O)NC1CCN(C(=O)NCCc2ccc(F)cc2)CC1 Cc1ccccc1[*:1] O=C(NCCc1ccc(F)cc1)N1CCC(CC1)NC(=O)[*:1]
Cc1ccccc1C(=O)NC1CCN(C(=O)NCCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] Cc1ccccc1C(=O)NC1CCN(CC1)C(=O)NC[*:1]
Cc1ccccc1C(=O)NC1CCN(C(=O)NCCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1ccccc1C(=O)NC1CCN(CC1)C(=O)NCC[*:1]
Cc1ccccc1C(=O)NC1CCN(C(=O)NCCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CC[*:1] Cc1ccccc1C(=O)NC1CCN(CC1)C(=O)N[*:1]
C[C@H](Nc1c(F)c(F)nc(F)c1F)C(N)=O NC(=O)[*:1] C[C@H](Nc1c(F)c(F)nc(F)c1F)[*:1]
C[C@H](Nc1c(F)c(F)nc(F)c1F)C(N)=O C[C@H](C(N)=O)[*:1] Fc1nc(F)c(F)c(N[*:1])c1F
O=C([O-])c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)Nc2ccc(Br)cc2)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cc1)[C@H]1CC=CC[C@H]1C(=O)N[*:1]
O=C([O-])c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)Nc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[*:1]
O=C([O-])c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)Nc2ccc(Br)cc2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(Br)cc1)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
O=C1CN(C(=O)COC(=O)/C=C/c2ccc(-c3ccccc3F)s2)CCN1 Fc1ccccc1[*:1] O=C1CN(CCN1)C(=O)COC(=O)/C=C/c1ccc(s1)[*:1]
O=C1CN(C(=O)COC(=O)/C=C/c2ccc(-c3ccccc3F)s2)CCN1 O=C1CN(CCN1)C(=O)[*:1] O=C(/C=C/c1ccc(s1)-c1ccccc1F)OC[*:1]
COc1ccc([C@@H](NC(=O)NCc2cccnc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)NCc1cccnc1)[*:1]
COc1ccc([C@@H](NC(=O)NCc2cccnc2)c2ccccc2)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[*:1])c1ccccc1
COc1ccc([C@@H](NC(=O)NCc2cccnc2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1cccnc1)N[C@@H](c1ccccc1)[*:1]
COc1ccc([C@@H](NC(=O)NCc2cccnc2)c2ccccc2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)NC[*:1])c1ccccc1
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1CN1C(=O)CNC1=O O=C1CNC(=O)N1C[*:1] CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1[*:1]
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1CN1C(=O)CNC1=O Fc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccccc1CN1C(=O)CNC1=O
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1CN1C(=O)CNC1=O O=C1CNC(=O)N1[*:1] CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1C[*:1]
CN(Cc1c[nH]nc1-c1cccnc1)[C@H](c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] CN(Cc1c[nH]nc1-c1cccnc1)[C@H](C(F)(F)F)[*:1]
CN(Cc1c[nH]nc1-c1cccnc1)[C@H](c1ccccc1)C(F)(F)F c1cncc(c1)[*:1] CN(Cc1c[nH]nc1[*:1])[C@H](c1ccccc1)C(F)(F)F
CN(Cc1c[nH]nc1-c1cccnc1)[C@H](c1ccccc1)C(F)(F)F FC(F)(F)[*:1] CN(Cc1c[nH]nc1-c1cccnc1)[C@H](c1ccccc1)[*:1]
Fc1ccc(Cl)cc1C[NH+]1CCCN(c2nccs2)CC1 c1csc(n1)[*:1] Fc1ccc(Cl)cc1C[NH+]1CCCN(CC1)[*:1]
CC(=O)N1CCc2ccc(NC(=O)c3cccs3)cc2C1 c1csc(c1)[*:1] CC(=O)N1CCc2ccc(cc2C1)NC(=O)[*:1]
C[C@@]([NH3+])(Cc1ccccc1Br)C(=O)[O-] O=C([O-])[*:1] C[C@@]([NH3+])(Cc1ccccc1Br)[*:1]
CC[C@H](NC(=O)NCC1CCC1)c1ccc(OC)cc1 C1CC(C1)[*:1] CC[C@H](NC(=O)NC[*:1])c1ccc(cc1)OC
CC[C@H](NC(=O)NCC1CCC1)c1ccc(OC)cc1 C1CC(C1)C[*:1] CC[C@H](NC(=O)N[*:1])c1ccc(cc1)OC
CC(C)[NH2+]Cc1cncc(N2CCC([NH+](C)C)CC2)n1 CC(C)[*:1] C[NH+](C)C1CCN(CC1)c1cncc(C[NH2+][*:1])n1
CC(C)[NH2+]Cc1cncc(N2CCC([NH+](C)C)CC2)n1 CC(C)[NH2+]C[*:1] C[NH+](C)C1CCN(CC1)c1cncc(n1)[*:1]
CC(C)(C)c1cc2nc([C@@H]3CCN(C(=O)CC[C@H]4CCCO4)C3)cc(O)n2n1 C1CO[C@H](C1)[*:1] CC(C)(C)c1cc2nc(cc(O)n2n1)[C@@H]1CCN(C1)C(=O)CC[*:1]
CC(C)(C)c1cc2nc([C@@H]3CCN(C(=O)CC[C@H]4CCCO4)C3)cc(O)n2n1 CC(C)(C)[*:1] O=C(CC[C@H]1CCCO1)N1CC[C@H](C1)c1cc(O)n2nc(cc2n1)[*:1]
CC(C)(C)c1cc2nc([C@@H]3CCN(C(=O)CC[C@H]4CCCO4)C3)cc(O)n2n1 C1CO[C@H](C1)C[*:1] CC(C)(C)c1cc2nc(cc(O)n2n1)[C@@H]1CCN(C1)C(=O)C[*:1]
CC(C)(C)c1cc2nc([C@@H]3CCN(C(=O)CC[C@H]4CCCO4)C3)cc(O)n2n1 C1CO[C@H](C1)CC[*:1] CC(C)(C)c1cc2nc(cc(O)n2n1)[C@@H]1CCN(C1)C(=O)[*:1]
C[C@H](c1ccncc1)N1C[C@H](C(=O)[O-])CC1=O O=C([O-])[*:1] C[C@H](c1ccncc1)N1C[C@H](CC1=O)[*:1]
COc1ccc(C(C)C)cc1S(=O)(=O)NC1CCCC1 CC(C)[*:1] COc1ccc(cc1S(=O)(=O)NC1CCCC1)[*:1]
COc1ccc(C(C)C)cc1S(=O)(=O)NC1CCCC1 C1CCC(C1)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(C)C
CC[C@H]1CCc2nc(NC(=O)CSc3nnnn3C3CC3)sc2C1 C1CC1[*:1] CC[C@H]1CCc2nc(NC(=O)CSc3nnnn3[*:1])sc2C1
CC[C@H]1CCc2nc(NC(=O)CSc3nnnn3C3CC3)sc2C1 C1CC1n1nnnc1[*:1] CC[C@H]1CCc2nc(NC(=O)CS[*:1])sc2C1
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H]1COc2ccc(F)cc2C1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1F Cc1ccc(cc1F)[*:1] O=C(NCCOc1ccc2ccccc2c1)[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)NCCCC(C)C)ccc1F CC(C)CC[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)C(=O)NC[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)NCCCC(C)C)ccc1F CC(=O)N[*:1] CC(C)CCCNC(=O)C(=O)Nc1ccc(F)c(c1)[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)NCCCC(C)C)ccc1F CC(C)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)C(=O)NCCC[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)NCCCC(C)C)ccc1F CC(C)C[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)C(=O)NCC[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)NCCCC(C)C)ccc1F CC(C)CCC[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)C(=O)N[*:1]
CCCn1c(C)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccccc1 CCC[*:1] Cc1nnc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)n1[*:1]
CCCn1c(C)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCCn1c(C)nnc1S[C@@H](C)C(=O)N[C@H](C)[*:1]
CC(C)c1nn(C)c2sc(C(=O)NC3=NCCS3)cc12 CC(C)[*:1] Cn1nc(c2cc(sc21)C(=O)NC1=NCCS1)[*:1]
O=C(C[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)c1ccc2ccccc2c1)Nc1ccc(cc1)O[*:1]
O=C(C[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)Oc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)c1ccc2ccccc2c1)N[*:1]
O=C(C[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(C[NH+]1CCN(CC1)C(=O)c1ccc2ccccc2c1)Nc1ccc(cc1)[*:1]
O=C(C[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1)Nc1ccc(OC(F)(F)F)cc1 c1ccc2cc(ccc2c1)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)[*:1])Nc1ccc(cc1)OC(F)(F)F
Cc1c(C[NH2+][C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)cnn1C OCC1CCN(CC1)[*:1] Cc1c(cnn1C)C[NH2+][C@@H]1CCCc2nc(ncc21)[*:1]
Cc1c(C[NH2+][C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)cnn1C Cc1c(cnn1C)[*:1] OCC1CCN(CC1)c1ncc2c(CCC[C@H]2[NH2+]C[*:1])n1
Cc1c(C[NH2+][C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)cnn1C Cc1c(cnn1C)C[*:1] OCC1CCN(CC1)c1ncc2c(CCC[C@H]2[NH2+][*:1])n1
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C2SCCCS2)cc1 C1CSC(SC1)[*:1] O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(cc1)[*:1]
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C2SCCCS2)cc1 c1ccc(cc1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1ccc(cc1)C1SCCCS1
COc1ccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC(CC1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F
COc1ccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(N1CCC(CC1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F)[*:1]
COc1ccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CC(=O)N1CCC(CC1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
O=C(NCC[C@@H]1CCCO1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(NCC[C@@H]1CCCO1)c1cc(=O)[nH]c2ccc(cc12)[*:1]
O=C(NCC[C@@H]1CCCO1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 C1CO[C@@H](C1)C[*:1] O=C(NC[*:1])c1cc(=O)[nH]c2ccc(cc12)[N+](=O)[O-]
O=C(NCC[C@@H]1CCCO1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 C1CO[C@@H](C1)[*:1] O=C(NCC[*:1])c1cc(=O)[nH]c2ccc(cc12)[N+](=O)[O-]
O=C(NCC[C@@H]1CCCO1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 C1CO[C@@H](C1)CC[*:1] O=C(N[*:1])c1cc(=O)[nH]c2ccc(cc12)[N+](=O)[O-]
CC(C)NC(=O)CN1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 c1cnn(c1)[*:1] CC(C)NC(=O)CN1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(C)NC(=O)CN1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 CC(C)[*:1] O=C(CN1CC[NH+](CC1)Cc1ccc(cc1)-n1cccn1)N[*:1]
CC(C)NC(=O)CN1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 CC(C)NC(=O)C[*:1] c1cnn(c1)-c1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
CC(C)NC(=O)CN1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 CC(C)NC(=O)[*:1] c1cnn(c1)-c1ccc(cc1)C[NH+]1CCN(CC1)C[*:1]
CCN(CC)C(=O)C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 CCN(CC)C(=O)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
CCN(CC)C(=O)C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)O[*:1]
CCN(CC)C(=O)C1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1 CC(C)(C)O[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
O=C(CS(=O)(=O)c1ccc2ccccc2c1)NCC(F)(F)F FC(F)(F)[*:1] O=C(CS(=O)(=O)c1ccc2ccccc2c1)NC[*:1]
O=C(CS(=O)(=O)c1ccc2ccccc2c1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CS(=O)(=O)c1ccc2ccccc2c1)N[*:1]
O=C1/C(=C\c2ccc(Br)s2)CCc2[nH]c(=O)ccc21 Brc1ccc(s1)[*:1] O=C1C(=C[*:1])CCc2[nH]c(=O)ccc21
Cc1ccccc1NC(=O)[C@H]1C[C@@H]2CCCN2[C@]12C(=O)N(C)c1ccccc12 Cc1ccccc1[*:1] CN1C(=O)[C@]2(c3ccccc31)[C@H](C[C@@H]1CCCN12)C(=O)N[*:1]
CC[C@@H](C)CS(=O)(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC[C@@H](C)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)NS(=O)(=O)C[*:1]
CC[C@@H](C)CS(=O)(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC[C@@H](C)CS(=O)(=O)N[C@H]1CCCN(C1)C(=O)O[*:1]
CC[C@@H](C)CS(=O)(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC[C@@H](C)C[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)NS(=O)(=O)[*:1]
Nc1c(Oc2ccccc2)ncnc1Oc1ccc2ccccc2c1 c1ccc(cc1)[*:1] Nc1c(ncnc1O[*:1])Oc1ccc2ccccc2c1
Nc1c(Oc2ccccc2)ncnc1Oc1ccc2ccccc2c1 c1ccc(cc1)O[*:1] Nc1c(ncnc1[*:1])Oc1ccc2ccccc2c1
CCCc1n[nH]c2c([O-])nc(-c3cc(S(=O)(=O)Cl)ccc3OCC)nc12 CCO[*:1] CCCc1n[nH]c2c([O-])nc(nc12)-c1cc(ccc1[*:1])S(=O)(=O)Cl
CCCc1n[nH]c2c([O-])nc(-c3cc(S(=O)(=O)Cl)ccc3OCC)nc12 CCC[*:1] CCOc1ccc(cc1-c1nc([O-])c2[nH]nc(c2n1)[*:1])S(=O)(=O)Cl
CCCc1n[nH]c2c([O-])nc(-c3cc(S(=O)(=O)Cl)ccc3OCC)nc12 O=S(=O)(Cl)[*:1] CCCc1n[nH]c2c([O-])nc(nc12)-c1cc(ccc1OCC)[*:1]
CCNc1ncnc(Nc2ccc(OC)cc2OC)c1N CCN[*:1] COc1ccc(Nc2ncnc(c2N)[*:1])c(c1)OC
O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)N[*:1]
O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cn[nH]c1 O=C1CCCN1[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1cn[nH]c1
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 NC(=O)[*:1] Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 Cc1noc(C)c1[*:1] C[C@@H](CC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)[*:1]
COC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)s1 c1ccc(cc1)[*:1] COC(=O)c1ccc(s1)C(=O)N[C@@H]1C[C@@H](C)N(C1)[*:1]
COC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)s1 COC(=O)[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)c1ccc(s1)[*:1]
O=C(c1cc2c(s1)SCC2)N1CCN(C(=O)C2CCC2)CC1 C1CC(C1)[*:1] O=C(c1cc2CCSc2s1)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(-c2nnn3c2nc(N2CCSCC2)c2cc(Cl)ccc23)c1 C1CN(CCS1)[*:1] Cc1cccc(c1)-c1nnn2c1nc(c1cc(Cl)ccc12)[*:1]
Cc1cccc(-c2nnn3c2nc(N2CCSCC2)c2cc(Cl)ccc23)c1 Cc1cccc(c1)[*:1] Clc1ccc2c(c1)c(nc1c(nnn12)[*:1])N1CCSCC1
Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)N2CCN(C4CCCC4)CC2)C3)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC(=O)N3CCN(CC3)C3CCCC3)CC=21)[*:1]
Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)N2CCN(C4CCCC4)CC2)C3)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)[C@@H]1NC(=O)N(C)C2CN(CC(=O)N3CCN(CC3)[*:1])C(=O)C=21
COc1ccc(NC(=O)NC(=O)CN(C)Cc2ccc(Cl)nc2)cc1 COc1ccc(cc1)[*:1] CN(CC(=O)NC(=O)N[*:1])Cc1ccc(Cl)nc1
COc1ccc(NC(=O)NC(=O)CN(C)Cc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)[*:1] COc1ccc(cc1)NC(=O)NC(=O)CN(C)C[*:1]
COc1ccc(NC(=O)NC(=O)CN(C)Cc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)C[*:1] COc1ccc(cc1)NC(=O)NC(=O)CN(C)[*:1]
CCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O Cc1ccc(cc1)[*:1] CCCn1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
CCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O CCC[*:1] Cc1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CC(C)CCOCCNC(=O)N1CC[C@H](C)[C@H](O)C1 CC(C)C[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCCOC[*:1]
CC(C)CCOCCNC(=O)N1CC[C@H](C)[C@H](O)C1 CC(C)CC[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCCO[*:1]
CC(C)CCOCCNC(=O)N1CC[C@H](C)[C@H](O)C1 CC(C)CCO[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCC[*:1]
CC(C)CCOCCNC(=O)N1CC[C@H](C)[C@H](O)C1 CC(C)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCCOCC[*:1]
CC(C)[C@H](CO)NC(=O)C[C@H]1C=CCC1 CC(C)[*:1] O=C(C[C@H]1C=CCC1)N[C@@H](CO)[*:1]
CC[C@@H](C)CS(=O)(=O)Cc1nc(-c2cccs2)no1 CC[C@@H](C)[*:1] O=S(=O)(Cc1nc(no1)-c1cccs1)C[*:1]
CC[C@@H](C)CS(=O)(=O)Cc1nc(-c2cccs2)no1 c1csc(c1)[*:1] CC[C@@H](C)CS(=O)(=O)Cc1nc(no1)[*:1]
O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccc(C2CCCCC2)cc1 C1CCC(CC1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)c1ccc(cc1)[*:1]
O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccc(C2CCCCC2)cc1 C1CCN(C1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])c1ccc(cc1)C1CCCCC1
COC[C@@H](NC(=O)Nc1cc(OC)ccc1F)c1ccc(C)o1 COC[*:1] COc1ccc(F)c(c1)NC(=O)N[C@@H](c1ccc(C)o1)[*:1]
COC[C@@H](NC(=O)Nc1cc(OC)ccc1F)c1ccc(C)o1 Cc1ccc(o1)[*:1] COC[C@@H](NC(=O)Nc1cc(ccc1F)OC)[*:1]
Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(Cl)nn2)cs1 Cc1nc(cs1)C[*:1] O=C(/C=C/c1ccccc1O[*:1])Nc1ccc(Cl)nn1
Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(Cl)nn2)cs1 Cc1nc(cs1)[*:1] O=C(/C=C/c1ccccc1OC[*:1])Nc1ccc(Cl)nn1
Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(Cl)nn2)cs1 Clc1ccc(nn1)[*:1] Cc1nc(cs1)COc1ccccc1/C=C/C(=O)N[*:1]
Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(Cl)nn2)cs1 Cc1nc(cs1)CO[*:1] O=C(/C=C/c1ccccc1[*:1])Nc1ccc(Cl)nn1
O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc2c(c1)CCO2 c1ccc(cc1)[*:1] O=C(NC[C@H]1CC(=O)N(C1)C[*:1])c1ccc2OCCc2c1
O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc2c(c1)CCO2 c1ccc(cc1)C[*:1] O=C(NC[C@H]1CC(=O)N(C1)[*:1])c1ccc2OCCc2c1
C=C1c2ccccc2C(=O)N1CCC(=O)N1CCC(OCC(C)C)CC1 CC(C)C[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N1CCC(CC1)O[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)N1CCC(OCC(C)C)CC1 CC(C)[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N1CCC(CC1)OC[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)N1CCC(OCC(C)C)CC1 CC(C)CO[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N1CCC(CC1)[*:1]
Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 Fc1ccc(cc1)[*:1] Cc1ncc(s1)[C@H](C)[NH2+][C@@H](C)c1cnn(c1C)[*:1]
Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)s1 Cc1ncc(s1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)CSC(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)SCC(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)CSC(C)(C)C)cc1 CC(C)(C)SC[*:1] CC(C)CNC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)CSC(C)(C)C)cc1 CC(C)CNC(=O)[*:1] CC(C)(C)SCC(=O)Nc1ccc(cc1)[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)CSC(C)(C)C)cc1 CC(C)(C)S[*:1] CC(C)CNC(=O)c1ccc(cc1)NC(=O)C[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)CSC(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)CNC(=O)c1ccc(cc1)NC(=O)CS[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)CSC(C)(C)C)cc1 CC(C)C[*:1] CC(C)(C)SCC(=O)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccccc1C[C@@H](C)OC(=O)c1scnc1C1CC1 C1CC1[*:1] COc1ccccc1C[C@@H](C)OC(=O)c1scnc1[*:1]
CCOC(=O)N1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)C[C@H]1C(=O)NCCN1C[*:1]
CCOC(=O)N1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 CCOC(=O)N1CCN(CC1)C(=O)C[C@H]1C(=O)NCCN1[*:1]
CN(C(=O)C1=CCCCO1)[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] CN(C(=O)C1=CCCCO1)[C@@H]1CCN(C[*:1])C1=O
CN(C(=O)C1=CCCCO1)[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] CN(C(=O)C1=CCCCO1)[C@@H]1CCN(C1=O)[*:1]
O=C(Cc1cccc(F)c1)NNC(=S)NCc1ccccc1 Fc1cccc(c1)[*:1] O=C(C[*:1])NNC(=S)NCc1ccccc1
O=C(Cc1cccc(F)c1)NNC(=S)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cccc(F)c1)NNC(=S)NC[*:1]
O=C(Cc1cccc(F)c1)NNC(=S)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1cccc(F)c1)NNC(=S)N[*:1]
O=C(NCc1ccco1)C1CCN(c2cnc(N3CCCC3)nc2)CC1 c1coc(c1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1cnc(nc1)N1CCCC1
O=C(NCc1ccco1)C1CCN(c2cnc(N3CCCC3)nc2)CC1 C1CCN(C1)[*:1] O=C(NCc1ccco1)C1CCN(CC1)c1cnc(nc1)[*:1]
O=C(NCc1ccco1)C1CCN(c2cnc(N3CCCC3)nc2)CC1 c1coc(c1)C[*:1] O=C(N[*:1])C1CCN(CC1)c1cnc(nc1)N1CCCC1
C=CCc1cc(C=O)cc(OC)c1OC[C@@H]1CCCO1 C=CC[*:1] COc1cc(C=O)cc(c1OC[C@@H]1CCCO1)[*:1]
C=CCc1cc(C=O)cc(OC)c1OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C=CCc1cc(C=O)cc(OC)c1OC[*:1]
C=CCc1cc(C=O)cc(OC)c1OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C=CCc1cc(C=O)cc(OC)c1O[*:1]
COc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccc(OC)c(O)c4)cc3C2=O)c1 COc1ccc(cc1O)[*:1] COc1cccc(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccc(OC)c(O)c4)cc3C2=O)c1 COc1cccc(c1)[*:1] COc1ccc(cc1O)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
C[C@H](Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Oc1cccc(c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)[*:1]
C[C@H](Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] C[C@H](Oc1cccc(c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)[*:1]
O=C(CN1C(=O)CSC1=O)NCCO OCC[*:1] O=C(CN1C(=O)CSC1=O)N[*:1]
C[C@H]1CCCN(C(=O)/C=C2/Sc3ccc(C(F)(F)F)cc3NC2=O)C1 FC(F)(F)[*:1] C[C@H]1CCCN(C1)C(=O)/C=C1/Sc2ccc(cc2NC1=O)[*:1]
CC/C(=N/O)c1ccc(OCc2nc(C)c(C)s2)cc1 CCC(=NO)[*:1] Cc1nc(COc2ccc(cc2)[*:1])sc1C
CCCN[C@@H](c1ccc(F)cc1)[C@H]1C[NH+]2CCN1CC2 CCCN[*:1] Fc1ccc(cc1)[C@@H]([C@H]1C[NH+]2CCN1CC2)[*:1]
CCCN[C@@H](c1ccc(F)cc1)[C@H]1C[NH+]2CCN1CC2 CCC[*:1] Fc1ccc(cc1)[C@H](N[*:1])[C@H]1C[NH+]2CCN1CC2
Cc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(N2CCC(C)CC2)o1 Cc1ccccc1[*:1] CC1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
Cc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(N2CCC(C)CC2)o1 CC1CCN(CC1)[*:1] Cc1ccccc1-c1nc(c(o1)[*:1])S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(N2CCC(C)CC2)o1 c1cc2OCCOc2cc1[*:1] Cc1ccccc1-c1nc(c(o1)N1CCC(C)CC1)S(=O)(=O)[*:1]
O=C(CSc1ncccn1)N1CCC[C@H](Nc2ccccc2)C1 c1cnc(nc1)[*:1] O=C(CS[*:1])N1CCC[C@@H](C1)Nc1ccccc1
O=C(CSc1ncccn1)N1CCC[C@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=C(CSc1ncccn1)N1CCC[C@H](C1)[*:1]
O=C(CSc1ncccn1)N1CCC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CSc1ncccn1)N1CCC[C@@H](C1)N[*:1]
O=C(CSc1ncccn1)N1CCC[C@H](Nc2ccccc2)C1 c1cnc(nc1)S[*:1] O=C(C[*:1])N1CCC[C@@H](C1)Nc1ccccc1
CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccccc2)n2nnnc2N1 Cc1ccc(cc1)[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)N[*:1])c1ccccc1
CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccccc2)n2nnnc2N1 c1ccc(cc1)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)Nc1ccc(C)cc1)[*:1]
O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCCCC1 O=[N+]([O-])[*:1] O=C(CSc1nc2ccc(cc2s1)[*:1])N1CCCCC1
Cc1ccc(C)c(-n2cnn(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c2=S)c1 Cc1ccc(C)c(c1)[*:1] FC(F)(F)c1cnc(c(Cl)c1)N1CCN(CC1)Cn1ncn(c1=S)[*:1]
Cc1ccc(C)c(-n2cnn(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c2=S)c1 FC(F)(F)[*:1] Cc1ccc(C)c(c1)-n1cnn(CN2CCN(CC2)c2ncc(cc2Cl)[*:1])c1=S
Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[C@H](C)C1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[C@H](C)C1)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[C@H](C)C1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCC[C@H](C)C1
CCOc1ccc2nc(N3CCC[C@@H]3C(=O)N3CCC(OCc4ccccn4)CC3)nc(C)c2c1 CCO[*:1] Cc1nc(nc2ccc(cc12)[*:1])N1CCC[C@@H]1C(=O)N1CCC(CC1)OCc1ccccn1
CCOc1ccc2nc(N3CCC[C@@H]3C(=O)N3CCC(OCc4ccccn4)CC3)nc(C)c2c1 c1ccc(CO[*:1])nc1 CCOc1ccc2nc(nc(C)c2c1)N1CCC[C@@H]1C(=O)N1CCC(CC1)[*:1]
CCOc1ccc2nc(N3CCC[C@@H]3C(=O)N3CCC(OCc4ccccn4)CC3)nc(C)c2c1 c1ccc(nc1)[*:1] CCOc1ccc2nc(nc(C)c2c1)N1CCC[C@@H]1C(=O)N1CCC(CC1)OC[*:1]
CCOc1ccc2nc(N3CCC[C@@H]3C(=O)N3CCC(OCc4ccccn4)CC3)nc(C)c2c1 c1ccc(C[*:1])nc1 CCOc1ccc2nc(nc(C)c2c1)N1CCC[C@@H]1C(=O)N1CCC(CC1)O[*:1]
Cc1nn2cc(-n3cc([N+](=O)[O-])cn3)cnc2c1C#N O=[N+]([O-])[*:1] Cc1nn2cc(cnc2c1C#N)-n1cc(cn1)[*:1]
O=C(C=C1CCSCC1)N[C@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(C=C1CCSCC1)N[C@H](c1ccc(F)cc1)[*:1]
O=C(C=C1CCSCC1)N[C@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C=C1CCSCC1)N[C@H](c1ccccc1)[*:1]
Cc1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2F)n1CC(N)=O NC(=O)C[*:1] Cc1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2F)n1[*:1]
Cc1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2F)n1CC(N)=O NC(=O)[*:1] Cc1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2F)n1C[*:1]
CCC[C@H]([NH2+]C)c1ccn(Cc2ccc(Cl)c(Cl)c2)c1 CCC[*:1] C[NH2+][C@H](c1ccn(c1)Cc1ccc(Cl)c(Cl)c1)[*:1]
CCN(CCNC(=O)N[C@@H](C)c1ncc(C)s1)c1cccc(C)c1 Cc1cnc(s1)[*:1] CCN(CCNC(=O)N[C@@H](C)[*:1])c1cccc(C)c1
CCN(CCNC(=O)N[C@@H](C)c1ncc(C)s1)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(CCNC(=O)N[C@@H](C)c1ncc(C)s1)[*:1]
CC(C)c1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 CC(C)[*:1] CN(C[C@H]1CCCN(C1)c1nnc(s1)[*:1])C(=O)OC(C)(C)C
CC(C)c1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 CC(C)(C)[*:1] CC(C)c1nnc(s1)N1CCC[C@H](CN(C)C(=O)O[*:1])C1
CC(C)c1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 CC(C)c1nnc(s1)[*:1] CN(C[C@H]1CCCN(C1)[*:1])C(=O)OC(C)(C)C
CCc1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O CCc1ccccc1[*:1] O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)N[*:1]
Cc1cccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2S(=O)(=O)CC3)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)[C@@H]1C(C#N)=C(N)N(C2CCS(=O)(=O)C=21)[*:1]
Cc1cccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2S(=O)(=O)CC3)c1 Cc1cccc(c1)[*:1] N#CC1=C(N)N(C2CCS(=O)(=O)C=2[C@@H]1[*:1])c1ccc(F)cc1
Nc1nc(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc(NCc2ccc(Cl)cc2)n1 Clc1ccc(cc1)CN[*:1] Nc1nc(CN2CCN(CC2)c2ccccc2C(F)(F)F)nc(n1)[*:1]
Nc1nc(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc(NCc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Nc1nc(CN2CCN(CC2)c2ccccc2C(F)(F)F)nc(n1)NC[*:1]
Nc1nc(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc(NCc2ccc(Cl)cc2)n1 FC(F)(F)[*:1] Nc1nc(CN2CCN(CC2)c2ccccc2[*:1])nc(n1)NCc1ccc(Cl)cc1
Nc1nc(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc(NCc2ccc(Cl)cc2)n1 FC(F)(F)c1ccccc1[*:1] Nc1nc(CN2CCN(CC2)[*:1])nc(n1)NCc1ccc(Cl)cc1
Nc1nc(CN2CCN(c3ccccc3C(F)(F)F)CC2)nc(NCc2ccc(Cl)cc2)n1 Clc1ccc(cc1)C[*:1] Nc1nc(CN2CCN(CC2)c2ccccc2C(F)(F)F)nc(n1)N[*:1]
CCCc1nc(C(=O)NC2CCC(C)CC2)n[nH]1 CCC[*:1] CC1CCC(CC1)NC(=O)c1n[nH]c(n1)[*:1]
NC(=O)CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl NC(=O)C[*:1] O=C(NCC[*:1])[C@H]1C[C@@H]1c1ccccc1Cl
NC(=O)CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl NC(=O)[*:1] O=C(NCCC[*:1])[C@H]1C[C@@H]1c1ccccc1Cl
NC(=O)CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl NC(=O)CCC[*:1] O=C(N[*:1])[C@H]1C[C@@H]1c1ccccc1Cl
NC(=O)CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl NC(=O)CC[*:1] O=C(NC[*:1])[C@H]1C[C@@H]1c1ccccc1Cl
CCOc1cccc2cc(C(=O)Nc3cc(C)ccc3C)c(=O)oc12 CCO[*:1] Cc1ccc(C)c(c1)NC(=O)c1cc2cccc(c2oc1=O)[*:1]
CCOc1cccc2cc(C(=O)Nc3cc(C)ccc3C)c(=O)oc12 Cc1ccc(C)c(c1)[*:1] CCOc1cccc2cc(C(=O)N[*:1])c(=O)oc12
O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCOc3ccccc32)c1 O=C([O-])[*:1] O=S(=O)(c1cc(ccc1F)[*:1])N1CCOc2ccccc21
C[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](OC(=O)c1ccc2S[C@H](C)C(=O)Nc2c1)C(=O)[*:1]
N#CCc1ccc(Nc2ncc(Cl)cc2F)cc1 N#CC[*:1] Fc1cc(Cl)cnc1Nc1ccc(cc1)[*:1]
CNC(=O)NC(=O)COc1ccc(C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNC(=O)NC(=O)COc1ccc(C)cc1[*:1]
Cc1ccc2oc(=O)c3cc(C(=O)N(Cc4ccco4)C[C@@H]4CCCO4)sc3c2c1 c1coc(c1)[*:1] Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)N(C[C@@H]1CCCO1)C[*:1]
Cc1ccc2oc(=O)c3cc(C(=O)N(Cc4ccco4)C[C@@H]4CCCO4)sc3c2c1 c1coc(c1)C[*:1] Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)N(C[C@@H]1CCCO1)[*:1]
CON/C=N/c1nc2nccc([C@H](C)Oc3cccc(OC)c3)n2n1 COc1cccc(c1)[*:1] CON/C=N/c1nc2nccc([C@H](C)O[*:1])n2n1
COc1ccc([C@H](C)NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(F)cc1-n1ccn(CC(=O)N[C@@H](C)[*:1])c(=O)c1=O
COc1ccc([C@H](C)NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1 COc1ccc(cc1)[C@H](C)[*:1] Cc1ccc(F)cc1-n1ccn(CC(=O)N[*:1])c(=O)c1=O
COc1ccc([C@H](C)NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1 Cc1ccc(F)cc1[*:1] COc1ccc(cc1)[C@H](C)NC(=O)Cn1ccn(c(=O)c1=O)[*:1]
COC(=O)c1ccsc1N=C=O O=C=N[*:1] COC(=O)c1ccsc1[*:1]
COC(=O)c1ccsc1N=C=O COC(=O)[*:1] O=C=Nc1sccc1[*:1]
C/[NH+]=C(\NCC(=O)N1CCc2ccccc2C1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C/[NH+]=C(\NCC(=O)N1CCc2ccccc2C1)N[*:1]
C/[NH+]=C(\NCC(=O)N1CCc2ccccc2C1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C/[NH+]=C(\NCC(=O)N1CCc2ccccc2C1)NC[*:1]
Cc1cnc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)s1 Cc1cnc(s1)[*:1] O=C(CCNS(=O)(=O)c1ccccc1Cl)N[*:1]
Cc1cnc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)s1 Clc1ccccc1[*:1] Cc1cnc(NC(=O)CCNS(=O)(=O)[*:1])s1
CCN(CC)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 CCN(CC)C(=O)N[*:1] N#CCc1ccc(cc1)OCc1ccccc1[*:1]
CCN(CC)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 N#CC[*:1] CCN(CC)C(=O)Nc1ccccc1COc1ccc(cc1)[*:1]
Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)N[C@@H]1CCN(C1=O)[*:1]
NC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(OC(F)F)c1 FC(F)O[*:1] NC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(c1)[*:1]
NC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(OC(F)F)c1 NC(=O)[*:1] O=C(N[C@H]1CCC[C@@H]1[*:1])c1cccc(c1)OC(F)F
NC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(OC(F)F)c1 FC(F)[*:1] NC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(c1)O[*:1]
O=C(N[C@H](C(=O)[O-])c1ccc(F)c(F)c1)c1cn(Cc2ccccc2)nn1 O=C([O-])[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)[*:1])c1cn(Cc2ccccc2)nn1
O=C(N[C@H](C(=O)[O-])c1ccc(F)c(F)c1)c1cn(Cc2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(N[C@H](C(=O)[O-])c1ccc(F)c(F)c1)c1cn(C[*:1])nn1
O=C(N[C@H](C(=O)[O-])c1ccc(F)c(F)c1)c1cn(Cc2ccccc2)nn1 Fc1ccc(cc1F)[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1cn(Cc2ccccc2)nn1
O=C(N[C@H](C(=O)[O-])c1ccc(F)c(F)c1)c1cn(Cc2ccccc2)nn1 c1ccc(cc1)C[*:1] O=C(N[C@H](C(=O)[O-])c1ccc(F)c(F)c1)c1cn(nn1)[*:1]
CSc1cccc(Nc2ccc(S(N)(=O)=O)c(N)c2)c1 NS(=O)(=O)[*:1] CSc1cccc(c1)Nc1ccc(c(N)c1)[*:1]
CS(=O)(=O)c1ccc(CC(=O)N(Cc2ccncc2)c2nc3c(F)cc(F)cc3s2)cc1 CS(=O)(=O)[*:1] O=C(Cc1ccc(cc1)[*:1])N(Cc1ccncc1)c1nc2c(F)cc(F)cc2s1
CS(=O)(=O)c1ccc(CC(=O)N(Cc2ccncc2)c2nc3c(F)cc(F)cc3s2)cc1 c1cc(ccn1)C[*:1] CS(=O)(=O)c1ccc(cc1)CC(=O)N(c1nc2c(F)cc(F)cc2s1)[*:1]
CS(=O)(=O)c1ccc(CC(=O)N(Cc2ccncc2)c2nc3c(F)cc(F)cc3s2)cc1 c1cc(ccn1)[*:1] CS(=O)(=O)c1ccc(cc1)CC(=O)N(C[*:1])c1nc2c(F)cc(F)cc2s1
CS(=O)(=O)c1ccc(CC(=O)N(Cc2ccncc2)c2nc3c(F)cc(F)cc3s2)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=C(C[*:1])N(Cc1ccncc1)c1nc2c(F)cc(F)cc2s1
Cc1cc([C@H](C[NH3+])N[C@H](C)c2ccccc2)ccc1Br c1ccc(cc1)[*:1] Cc1cc(ccc1Br)[C@H](C[NH3+])N[C@H](C)[*:1]
O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(c1ccc2ccccc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 c1ccc2cc(ccc2c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1ccc2ccccc2c1)N1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
CC(C)c1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)c1ccccc1NC(=O)N1CCC[C@H]1[*:1]
CC(C)c1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 CC(C)[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@@H]1c1cccc(F)c1
Cn1cc2nc(SCC(=O)Nc3ccc(F)cc3)n(Cc3ccc(F)cc3)c(=O)c2n1 Fc1ccc(cc1)C[*:1] Cn1cc2nc(SCC(=O)Nc3ccc(F)cc3)n(c(=O)c2n1)[*:1]
Cn1cc2nc(SCC(=O)Nc3ccc(F)cc3)n(Cc3ccc(F)cc3)c(=O)c2n1 Fc1ccc(cc1)[*:1] Cn1cc2nc(SCC(=O)N[*:1])n(Cc3ccc(F)cc3)c(=O)c2n1
Cn1cc2nc(SCC(=O)Nc3ccc(F)cc3)n(Cc3ccc(F)cc3)c(=O)c2n1 O=C(Nc1ccc(F)cc1)[*:1] Cn1cc2nc(SC[*:1])n(Cc3ccc(F)cc3)c(=O)c2n1
Cn1cc2nc(SCC(=O)Nc3ccc(F)cc3)n(Cc3ccc(F)cc3)c(=O)c2n1 Fc1ccc(cc1)[*:1] Cn1cc2nc(SCC(=O)Nc3ccc(F)cc3)n(C[*:1])c(=O)c2n1
CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 CC(C)(C)OC(=O)N[*:1] O=C(Nc1ccc(F)cc1F)c1ccc(cc1)C[*:1]
CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 CC(C)(C)[*:1] O=C(NCc1ccc(cc1)C(=O)Nc1ccc(F)cc1F)O[*:1]
CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] CC(C)(C)OC(=O)NCc1ccc(cc1)C(=O)N[*:1]
CC(C)c1noc(CN2CCNC[C@H]2C#N)n1 CC(C)[*:1] N#C[C@@H]1CNCCN1Cc1nc(no1)[*:1]
COC[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)CS(=O)(=O)CC(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C)cc1 COC[C@H](C)[*:1] Cc1ccc(cc1)CS(=O)(=O)CC(=O)N[*:1]
O=C(CCc1ccsc1)NCCc1nnc(-c2ccccc2)o1 c1cc(cs1)CC[*:1] O=C(NCCc1nnc(o1)-c1ccccc1)[*:1]
O=C(CCc1ccsc1)NCCc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(CCc1ccsc1)NCCc1nnc(o1)[*:1]
O=C(CCc1ccsc1)NCCc1nnc(-c2ccccc2)o1 c1cc(cs1)[*:1] O=C(CC[*:1])NCCc1nnc(o1)-c1ccccc1
O=C(CCc1ccsc1)NCCc1nnc(-c2ccccc2)o1 c1cc(cs1)C[*:1] O=C(C[*:1])NCCc1nnc(o1)-c1ccccc1
Cc1nc(C2=C(N)N(c3ccc4c(c3)OCCO4)CC2=O)sc1C Cc1nc(sc1C)[*:1] NC1=C(C(=O)CN1c1ccc2OCCOc2c1)[*:1]
Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NC3CCCCC3)C2)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](CCC(=O)N[*:1])C1
Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NC3CCCCC3)C2)c1 Cc1cccc(c1)[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)N[*:1])NC1CCCCC1
Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NC3CCCCC3)C2)c1 O=C(NC1CCCCC1)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](CC[*:1])C1
CCC[C@@H]1C(=O)NCCN1Cc1cc(C)n(CCOC)c1C CCC[*:1] COCCn1c(C)cc(CN2CCNC(=O)[C@H]2[*:1])c1C
CCC[C@@H]1C(=O)NCCN1Cc1cc(C)n(CCOC)c1C COC[*:1] CCC[C@@H]1C(=O)NCCN1Cc1cc(C)n(C[*:1])c1C
CCC[C@@H]1C(=O)NCCN1Cc1cc(C)n(CCOC)c1C COCC[*:1] CCC[C@@H]1C(=O)NCCN1Cc1cc(C)n(c1C)[*:1]
CC[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H](NC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
CC[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1c(C)noc1C C1CO[C@@H](C1)[*:1] CC[C@@H](NC(=O)c1cnc(s1)[*:1])c1c(C)noc1C
COc1ccc(CN2CC[NH+](Cc3nc(N)nc(Nc4ccc(Cl)cc4)n3)CC2)cc1F Clc1ccc(cc1)N[*:1] COc1ccc(cc1F)CN1CC[NH+](CC1)Cc1nc(N)nc(n1)[*:1]
COc1ccc(CN2CC[NH+](Cc3nc(N)nc(Nc4ccc(Cl)cc4)n3)CC2)cc1F COc1ccc(cc1F)[*:1] Nc1nc(C[NH+]2CCN(CC2)C[*:1])nc(n1)Nc1ccc(Cl)cc1
COc1ccc(CN2CC[NH+](Cc3nc(N)nc(Nc4ccc(Cl)cc4)n3)CC2)cc1F Clc1ccc(cc1)[*:1] COc1ccc(cc1F)CN1CC[NH+](CC1)Cc1nc(N)nc(n1)N[*:1]
COc1ccc(CN2CC[NH+](Cc3nc(N)nc(Nc4ccc(Cl)cc4)n3)CC2)cc1F COc1ccc(cc1F)C[*:1] Nc1nc(C[NH+]2CCN(CC2)[*:1])nc(n1)Nc1ccc(Cl)cc1
COCC[C@H](C)C(=O)NC[C@@H]1CC=CCC1 COCC[*:1] C[C@H](C(=O)NC[C@@H]1CC=CCC1)[*:1]
COCC[C@H](C)C(=O)NC[C@@H]1CC=CCC1 COC[*:1] C[C@@H](C[*:1])C(=O)NC[C@@H]1CC=CCC1
O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] O=C(NCc1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)N2CCCC2)cc1 O=[N+]([O-])[*:1] O=C(NCc1cccc(c1)[*:1])Nc1ccc(cc1)C(=O)N1CCCC1
O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)N2CCCC2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NC[*:1])Nc1ccc(cc1)C(=O)N1CCCC1
CCOc1ccc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)cc1S(=O)(=O)N(C)C CCO[*:1] CN(C)S(=O)(=O)c1cc(ccc1[*:1])NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2
CCOc1ccc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] CCOc1ccc(cc1[*:1])NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2
C/C(=N\NC(=[NH2+])S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1 Brc1ccc(cc1)[*:1] C/C(=N\NC(=[NH2+])S[C@H]1CC(=O)N(C1=O)[*:1])c1ccc(Cl)cc1
C/C(=N\NC(=[NH2+])S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=NNC(=[NH2+])S[C@H]1CC(=O)N(C1=O)c1ccc(Br)cc1)[*:1]
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] C[NH+](C)CCN1C(=O)C(O)=C(C(=O)[*:1])[C@H]1c1ccc(Cl)cc1Cl
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl O=C(c1ccccc1)[*:1] C[NH+](C)CCN1C(=O)C(O)=C([C@H]1c1ccc(Cl)cc1Cl)[*:1]
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1[*:1]
C[C@@H](NC(=O)Nc1ccccc1CS(C)(=O)=O)c1ccc2ccccc2c1 CS(=O)(=O)C[*:1] C[C@@H](NC(=O)Nc1ccccc1[*:1])c1ccc2ccccc2c1
C[C@@H](NC(=O)Nc1ccccc1CS(C)(=O)=O)c1ccc2ccccc2c1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)Nc1ccccc1C[*:1])c1ccc2ccccc2c1
CC(C)Cc1ncc2c(n1)CN(C(=O)c1sccc1Cl)C2 Clc1ccsc1[*:1] CC(C)Cc1ncc2CN(Cc2n1)C(=O)[*:1]
CC(C)Cc1ncc2c(n1)CN(C(=O)c1sccc1Cl)C2 CC(C)[*:1] O=C(c1sccc1Cl)N1Cc2cnc(C[*:1])nc2C1
CC(C)Cc1ncc2c(n1)CN(C(=O)c1sccc1Cl)C2 CC(C)C[*:1] O=C(c1sccc1Cl)N1Cc2cnc(nc2C1)[*:1]
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)Nc1ccccc1 Cc1ccc(cc1)[*:1] CCN(C[C@H](O)[*:1])C(=O)C(=O)Nc1ccccc1
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[*:1]
CCc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3CCCO3)n2)cc1 CCc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])NC[C@H]1CCCO1
O=C(NCCC1=CCCCC1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 O=S1(=O)CCCCN1[*:1] O=C(NCCC1=CCCCC1)c1ccc(Cl)c(c1)[*:1]
C=C(C)COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccnc1 C=C(C)[*:1] Cc1cc(=O)oc2cc(OC[*:1])c(cc12)CCC(=O)Nc1cccnc1
C=C(C)COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccnc1 O=C(Nc1cccnc1)[*:1] C=C(C)COc1cc2oc(=O)cc(C)c2cc1CC[*:1]
C=C(C)COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccnc1 c1cncc(c1)[*:1] C=C(C)COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[*:1]
C=C(C)COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccnc1 C=C(C)C[*:1] Cc1cc(=O)oc2cc(O[*:1])c(cc12)CCC(=O)Nc1cccnc1
C=C(C)COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccnc1 C=C(C)CO[*:1] Cc1cc(=O)oc2cc(c(cc12)CCC(=O)Nc1cccnc1)[*:1]
Cc1nonc1C(=O)Nc1cc([N+](=O)[O-])ccc1O Cc1nonc1[*:1] O=C(Nc1cc(ccc1O)[N+](=O)[O-])[*:1]
Cc1nonc1C(=O)Nc1cc([N+](=O)[O-])ccc1O O=[N+]([O-])[*:1] Cc1nonc1C(=O)Nc1cc(ccc1O)[*:1]
Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCC[C@@H](C(N)=O)C3)nc2)o1 Cc1ccc(C=C[*:1])o1 NC(=O)[C@@H]1CCCN(C1)c1ccc(cn1)NC(=O)[*:1]
Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCC[C@@H](C(N)=O)C3)nc2)o1 Cc1ccc(o1)[*:1] NC(=O)[C@@H]1CCCN(C1)c1ccc(cn1)NC(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCC[C@@H](C(N)=O)C3)nc2)o1 NC(=O)[*:1] Cc1ccc(/C=C/C(=O)Nc2ccc(nc2)N2CCC[C@@H](C2)[*:1])o1
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] O=C([O-])[*:1] [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[*:1]
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] O=C([O-])C[*:1] [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[*:1]
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] O=C([O-])CC[*:1] [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1]
c1cc(C[NH+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)ccn1 c1cc(ccn1)C[*:1] c1cc2OCOc2cc1-c1noc2CC[NH+](Cc12)[*:1]
c1cc(C[NH+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)ccn1 c1cc(ccn1)[*:1] c1cc2OCOc2cc1-c1noc2CC[NH+](Cc12)C[*:1]
C[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccc[n+]([O-])c2)C[C@H](C)O1 [O-][n+]1cccc(c1)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)CCNC(=O)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)c1cc(ccc1Cl)S(N)(=O)=O)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl NS(=O)(=O)[*:1] C[C@@H](CCc1ccccc1)NC(=O)c1cc(ccc1Cl)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)c1cc(ccc1Cl)S(N)(=O)=O
C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)c1cc(ccc1Cl)S(N)(=O)=O
COCCN(Cc1ccoc1)C(=O)c1c(F)cccc1F c1cc(co1)[*:1] COCCN(C[*:1])C(=O)c1c(F)cccc1F
COCCN(Cc1ccoc1)C(=O)c1c(F)cccc1F c1cc(co1)C[*:1] COCCN(C(=O)c1c(F)cccc1F)[*:1]
COCCN(Cc1ccoc1)C(=O)c1c(F)cccc1F COC[*:1] O=C(c1c(F)cccc1F)N(Cc1ccoc1)C[*:1]
COCCN(Cc1ccoc1)C(=O)c1c(F)cccc1F COCC[*:1] O=C(c1c(F)cccc1F)N(Cc1ccoc1)[*:1]
COC(=O)C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(Cl)cc1 COC(=O)C[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
COC(=O)C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)C[C@H](NC(=O)c1ccc2C(=O)N(C)C(=O)c2c1)[*:1]
COC(=O)C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(Cl)cc1 COC(=O)[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)N[C@@H](C[*:1])c1ccc(Cl)cc1
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1cccs1 FC(F)(F)[*:1] O=C(Nc1cc(cc(c1)[*:1])C(F)(F)F)[C@@H]1CCCN1C(=O)c1cccs1
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@@H]1CCCN1C(=O)[*:1]
CNC(=O)CCNS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C CNC(=O)[*:1] CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCC[*:1])C(=O)C2
CNC(=O)CCNS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C CNC(=O)C[*:1] CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NC[*:1])C(=O)C2
CNC(=O)CCNS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C CNC(=O)CC[*:1] CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[*:1])C(=O)C2
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1)[*:1]
COc1cc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc(Cl)c1OC c1ccc(cc1)[*:1] COc1cc(cc(Cl)c1OC)C(=O)N[C@@H](C[*:1])c1nc2ccccc2[nH]1
COc1cc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc(Cl)c1OC c1ccc(cc1)C[*:1] COc1cc(cc(Cl)c1OC)C(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
COc1cc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc(Cl)c1OC c1ccc2[nH]c(nc2c1)[*:1] COc1cc(cc(Cl)c1OC)C(=O)N[C@@H](Cc1ccccc1)[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@@H]1c1c(F)cccc1Cl O=[N+]([O-])c1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@@H]1c1c(F)cccc1Cl)[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@@H]1c1c(F)cccc1Cl O=[N+]([O-])[*:1] N#CC1=C(N)Oc2[nH]nc(-c3ccc(cc3)[*:1])c2[C@@H]1c1c(F)cccc1Cl
N#CC1=C(N)Oc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@@H]1c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] N#CC1=C(N)Oc2[nH]nc(-c3ccc(cc3)[N+](=O)[O-])c2[C@H]1[*:1]
CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[*:1]
CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] CNC(=O)[*:1] Cc1cc(c(cc1C)S(=O)(=O)[N-]c1ccccc1[*:1])[N+](=O)[O-]
C[C@H](C(=O)[O-])[C@@H](C)Nc1cc(F)cc(F)c1F O=C([O-])[*:1] C[C@H]([C@@H](C)Nc1cc(F)cc(F)c1F)[*:1]
Cn1cnnc1-c1cccc(NC(=O)CC2([NH3+])CCC2)c1 Cn1cnnc1[*:1] [NH3+]C1(CCC1)CC(=O)Nc1cccc(c1)[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] C[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)[*:1]
O=C(NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@H](c1cccnc1)N1CCN(CC1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 c1cncc(c1)[*:1] O=C(NC[C@H](N1CCN(CC1)c1ccc(F)cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NC[C@H](c1cccnc1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
O=C(NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NC[C@H](c1cccnc1)N1CCN(CC1)c1ccc(F)cc1)c1ccc(cc1)[*:1]
CCNC(=O)N1CCN(CC(=O)NCCOCC)CC1 CCOC[*:1] CCNC(=O)N1CCN(CC1)CC(=O)NC[*:1]
CCNC(=O)N1CCN(CC(=O)NCCOCC)CC1 CCO[*:1] CCNC(=O)N1CCN(CC1)CC(=O)NCC[*:1]
CCNC(=O)N1CCN(CC(=O)NCCOCC)CC1 CCOCC[*:1] CCNC(=O)N1CCN(CC1)CC(=O)N[*:1]
CC(C)CCC(=O)NNC(=O)N1CCO[C@@H](c2ccccc2F)C1 CC(C)CC[*:1] O=C(NNC(=O)[*:1])N1CCO[C@H](C1)c1ccccc1F
CC(C)CCC(=O)NNC(=O)N1CCO[C@@H](c2ccccc2F)C1 CC(C)C[*:1] O=C(C[*:1])NNC(=O)N1CCO[C@H](C1)c1ccccc1F
CC(C)CCC(=O)NNC(=O)N1CCO[C@@H](c2ccccc2F)C1 CC(C)[*:1] O=C(CC[*:1])NNC(=O)N1CCO[C@H](C1)c1ccccc1F
CC(C)CCC(=O)NNC(=O)N1CCO[C@@H](c2ccccc2F)C1 Fc1ccccc1[*:1] CC(C)CCC(=O)NNC(=O)N1CCO[C@@H](C1)[*:1]
COc1ccc(C(C)=O)c(OCC(=O)N2CCC(C)CC2)c1 CC(=O)[*:1] COc1ccc(c(c1)OCC(=O)N1CCC(C)CC1)[*:1]
Cc1ccccc1N1C(=O)/C(=C/c2csc(C3CC3)n2)c2ccccc2C1=O Cc1ccccc1[*:1] O=C1/C(=C/c2csc(n2)C2CC2)c2ccccc2C(=O)N1[*:1]
Cc1ccccc1N1C(=O)/C(=C/c2csc(C3CC3)n2)c2ccccc2C1=O c1sc(nc1[*:1])C1CC1 Cc1ccccc1N1C(=O)C(=C[*:1])c2ccccc2C1=O
Cc1ccccc1N1C(=O)/C(=C/c2csc(C3CC3)n2)c2ccccc2C1=O C1CC1[*:1] Cc1ccccc1N1C(=O)/C(=C/c2csc(n2)[*:1])c2ccccc2C1=O
CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 CCS(=O)(=O)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc2CCCCc2c1
Cc1cccc(NC(=O)N2CCCC[C@H]2CN2CCCC2=O)c1Cl Cc1cccc(c1Cl)[*:1] O=C1CCCN1C[C@@H]1CCCCN1C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCCC[C@H]2CN2CCCC2=O)c1Cl O=C1CCCN1[*:1] Cc1cccc(NC(=O)N2CCCC[C@H]2C[*:1])c1Cl
Cc1cccc(NC(=O)N2CCCC[C@H]2CN2CCCC2=O)c1Cl O=C1CCCN1C[*:1] Cc1cccc(NC(=O)N2CCCC[C@@H]2[*:1])c1Cl
O=C(Nc1cc(-c2ccco2)ccc1F)c1ccc2cc[nH]c2c1 c1coc(c1)[*:1] O=C(Nc1cc(ccc1F)[*:1])c1ccc2cc[nH]c2c1
C[C@](O)(c1ccccc1)[C@]1(C#N)CCc2ccccc2C1 c1ccc(cc1)[*:1] C[C@](O)([C@]1(C#N)CCc2ccccc2C1)[*:1]
C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 Fc1ccc(c(Cl)c1)[*:1] C[C@@H](c1nc(no1)-c1ccccc1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 c1ccc(cc1)[*:1] C[C@@H](c1nc(no1)[*:1])N1CCN(CC1)C(=O)c1ccc(F)cc1Cl
Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=O)CC(C)(C)C2 Clc1ccc(nc1)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)N[*:1]
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@H](C)CC(=O)N[*:1]
CCN(C)C(=O)/C=C/c1ccc(C(N)=O)cc1 NC(=O)[*:1] CCN(C)C(=O)/C=C/c1ccc(cc1)[*:1]
NC(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 NC(=O)[*:1] O=C([O-])c1ccc(cc1)CS(=O)(=O)N1CCC[C@@H]1[*:1]
NC(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] NC(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] Cc1ccc(cc1)NC(=O)CCNS(=O)(=O)[*:1]
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N[*:1]
Cc1cnc([C@@H](NC(=O)N(C)[C@H](c2ccccc2)C(C)C)C2CC2)s1 CC(C)[*:1] Cc1cnc(s1)[C@@H](NC(=O)N(C)[C@H](c1ccccc1)[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)N(C)[C@H](c2ccccc2)C(C)C)C2CC2)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)[C@@H](NC(=O)N(C)[C@H](C(C)C)[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)N(C)[C@H](c2ccccc2)C(C)C)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)N(C)[C@H](c1ccccc1)C(C)C)[*:1]
Cc1cnc([C@@H](NC(=O)N(C)[C@H](c2ccccc2)C(C)C)C2CC2)s1 Cc1cnc(s1)[*:1] CC(C)[C@@H](c1ccccc1)N(C)C(=O)N[C@@H](C1CC1)[*:1]
Cc1ccc(C(=O)N(C)Cc2nc3c(s2)CCCC3)cn1 Cc1ccc(cn1)[*:1] CN(Cc1nc2CCCCc2s1)C(=O)[*:1]
O=C(Nc1ccccc1)c1ccc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)Cn1cc(cc(Cl)c1=O)C(F)(F)F
O=C(Nc1ccccc1)c1ccc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 O=C(Nc1ccccc1)[*:1] O=c1c(Cl)cc(cn1Cc1ccc(cc1)[*:1])C(F)(F)F
O=C(Nc1ccccc1)c1ccc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 FC(F)(F)[*:1] O=C(Nc1ccccc1)c1ccc(cc1)Cn1cc(cc(Cl)c1=O)[*:1]
c1ccc(-c2nnn(-c3ncnc4sccc34)n2)cc1 c1ccc(cc1)[*:1] c1nc(c2ccsc2n1)-n1nnc(n1)[*:1]
CCCn1c(NC(=O)c2nc(Cl)ccc2Cl)nc2ccccc21 CCC[*:1] O=C(Nc1nc2ccccc2n1[*:1])c1nc(Cl)ccc1Cl
O=C(C[NH+]1CCN(Cc2ccccc2Cl)CC1)NC1CCCC1 C1CCC(C1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1ccccc1Cl)N[*:1]
O=C(C[NH+]1CCN(Cc2ccccc2Cl)CC1)NC1CCCC1 Clc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])NC1CCCC1
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C=O)cc1 CC(C)[*:1] C[NH+](C)C[C@H](C[*:1])NC(=O)c1ccc(C=O)cc1
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C=O)cc1 CC(C)C[*:1] C[NH+](C)C[C@@H](NC(=O)c1ccc(C=O)cc1)[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccnn1C[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc(cc1[*:1])C(=O)Nc1ccnn1Cc1ccccc1
CS(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)C[*:1] CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccnn1[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1[N+](=O)[O-] CS(=O)(=O)[*:1] O=C(Nc1ccnn1Cc1ccccc1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCCc2ccccc21 COCCn1nnnc1[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)[C@H](N1CCCc2ccccc21)[*:1]
COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCCc2ccccc21 COC[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)[C@@H](c1nnnn1C[*:1])N1CCCc2ccccc21
COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCCc2ccccc21 c1ccc2c(c1)CCCN2[*:1] COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[*:1]
COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCCc2ccccc21 COCC[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)[C@@H](c1nnnn1[*:1])N1CCCc2ccccc21
COc1ccc(F)c(-c2nc3ccccc3n2CCO)c1 OCC[*:1] COc1ccc(F)c(c1)-c1nc2ccccc2n1[*:1]
[O-][N+]1=C2CCc3c(no[n+]3[O-])[C@]2(O)[C@H]2CCCC[C@]21N1CCOCC1 C1CN(CCO1)[*:1] [O-][N+]1=C2CCc3c(no[n+]3[O-])[C@]2(O)[C@H]2CCCC[C@]21[*:1]
Cn1ccc(Nc2ccncc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cn1ccc(n1)Nc1ccncc1[*:1]
COc1ccc(Cl)c(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)c1 CC(=O)N[*:1] COc1ccc(Cl)c(c1)NC(=O)C[C@H](c1ccc(Cl)cc1)[*:1]
COc1ccc(Cl)c(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1ccc(Cl)c(c1)NC(=O)C[C@H](NC(C)=O)[*:1]
Cc1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 Cc1ccc(cc1)[*:1] C[C@H](Oc1cccc2ccccc12)C(=O)N[*:1]
O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(cc1)[*:1]
O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] O=C1c2ccccc2S(=O)(=O)N1Cc1ccc(cc1)C[*:1]
COc1ccc(-c2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1OC COc1ccc(cc1OC)[*:1] O=C(Cc1csc(n1)[*:1])N1CCN(CC1)c1ccccc1F
COc1ccc(-c2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)-c1nc(cs1)CC(=O)N1CCN(CC1)[*:1]
C[NH+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O FC(F)(F)[*:1] C[NH+](C)[C@@H]1CCCN(Cc2cccc(c2)[*:1])C1=O
Cc1ccccc1-n1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccn1 Cc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccn2)n1[*:1]
Cc1ccccc1-n1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccn1 Cc1cccc(C)c1[*:1] Cc1ccccc1-n1c(nnc1-c1ccccn1)SCC(=O)N[*:1]
Cc1ccccc1-n1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccn1 c1ccc(nc1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])SCC(=O)Nc1c(C)cccc1C
CC[C@@]1(c2ccc(NC(=O)c3nc(-c4ccco4)sc3C)cc2)CCC(=O)NC1=O c1coc(c1)[*:1] CC[C@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)c1nc(sc1C)[*:1]
O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 Clc1cccc(c1Cl)[*:1] O=C([C@H]1COc2ccccc2O1)N1CCN(CC1)C(=O)[*:1]
CCC[C@H]1CN(C(=O)c2nc(-c3ccccc3)[nH]c2C)C[C@@H]1[NH3+] CCC[*:1] Cc1[nH]c(nc1C(=O)N1C[C@@H]([C@@H]([NH3+])C1)[*:1])-c1ccccc1
CCC[C@H]1CN(C(=O)c2nc(-c3ccccc3)[nH]c2C)C[C@@H]1[NH3+] c1ccc(cc1)[*:1] CCC[C@H]1CN(C[C@@H]1[NH3+])C(=O)c1nc([nH]c1C)[*:1]
CCCc1c(C(=O)Nc2c(C)cccc2CC)nnn1-c1ccc(Cl)cc1 CCc1cccc(C)c1[*:1] CCCc1c(nnn1-c1ccc(Cl)cc1)C(=O)N[*:1]
CCCc1c(C(=O)Nc2c(C)cccc2CC)nnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCc1c(nnn1[*:1])C(=O)Nc1c(C)cccc1CC
CCCc1c(C(=O)Nc2c(C)cccc2CC)nnn1-c1ccc(Cl)cc1 CCC[*:1] CCc1cccc(C)c1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1[*:1]
C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)N1CCNC1=O C1CO[C@H](C1)C[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)N1CCNC1=O
C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)N1CCNC1=O C1CO[C@H](C1)[*:1] C[C@H](Sc1nnnn1C[*:1])C(=O)N1CCNC1=O
C[C@@H]1CCC[C@@H]1[NH2+]CCCS(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H]1[NH2+]CCCS(=O)(=O)C[*:1]
NC(=O)c1cccc(CN2CCC[C@@H]2c2nc3ccccc3s2)c1 NC(=O)[*:1] c1cc(cc(c1)[*:1])CN1CCC[C@@H]1c1nc2ccccc2s1
O=C(NCCCN1CCCC1=O)Nc1ccc2c(c1)COC2 O=C1CCCN1C[*:1] O=C(NCC[*:1])Nc1ccc2COCc2c1
O=C(NCCCN1CCCC1=O)Nc1ccc2c(c1)COC2 O=C1CCCN1[*:1] O=C(NCCC[*:1])Nc1ccc2COCc2c1
COC(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)n1 COC(=O)[*:1] CC(C)(C)c1cc(NC(=O)c2cccc(n2)[*:1])n(n1)C(C)(C)C
COC(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)n1 CC(C)(C)[*:1] COC(=O)c1cccc(n1)C(=O)Nc1cc(nn1C(C)(C)C)[*:1]
COC(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)n1 CC(C)(C)[*:1] COC(=O)c1cccc(n1)C(=O)Nc1cc(nn1[*:1])C(C)(C)C
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccccc1[*:1]
C[C@H]1C[C@H](C)CN(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 C1CN(CCO1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)NC[C@@H](c1ccccc1)[*:1]
C[C@H]1C[C@H](C)CN(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)NC[C@@H](N1CCOCC1)[*:1]
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)c(c1)[N+](=O)[O-])/C(=C\c1ccccc1)NC(=O)[*:1]
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 O=[N+]([O-])c1cc(ccc1Cl)[*:1] O=C(N[*:1])/C(=C\c1ccccc1)NC(=O)c1ccccc1
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 O=[N+]([O-])[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])/C(=C\c1ccccc1)NC(=O)c1ccccc1
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)c(c1)[N+](=O)[O-])C(=C[*:1])NC(=O)c1ccccc1
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(Nc1ccc(Cl)c(c1)[N+](=O)[O-])C(=Cc1ccccc1)[*:1]
COC(=O)c1cccc(C(=O)NC(=S)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)c1 COC(=O)c1cccc(c1)[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=S)NC(=O)[*:1]
COC(=O)c1cccc(C(=O)NC(=S)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)c1 COC(=O)[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=S)NC(=O)c1cccc(c1)[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NC[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NCC[*:1]
CC[C@@](C)(C(=O)[O-])n1nnnc1Cc1cccs1 O=C([O-])[*:1] CC[C@@](C)(n1nnnc1Cc1cccs1)[*:1]
CC[C@@](C)(C(=O)[O-])n1nnnc1Cc1cccs1 c1csc(c1)C[*:1] CC[C@@](C)(C(=O)[O-])n1nnnc1[*:1]
CC[C@@](C)(C(=O)[O-])n1nnnc1Cc1cccs1 c1csc(c1)[*:1] CC[C@@](C)(C(=O)[O-])n1nnnc1C[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3cccc(Cl)c3)CC2)cc1 Clc1cccc(c1)CC[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3cccc(Cl)c3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1cccc(Cl)c1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3cccc(Cl)c3)CC2)cc1 Clc1cccc(c1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3cccc(Cl)c3)CC2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)NCC[*:1]
Cc1ccc(N[C@@H]2N=NN=C2C(=O)NCc2ccc(Cl)cc2)cc1C Cc1ccc(cc1C)[*:1] O=C(NCc1ccc(Cl)cc1)C1=NN=N[C@H]1N[*:1]
Cc1ccc(N[C@@H]2N=NN=C2C(=O)NCc2ccc(Cl)cc2)cc1C Clc1ccc(cc1)C[*:1] Cc1ccc(cc1C)N[C@@H]1N=NN=C1C(=O)N[*:1]
Cc1ccc(N[C@@H]2N=NN=C2C(=O)NCc2ccc(Cl)cc2)cc1C Clc1ccc(cc1)[*:1] Cc1ccc(cc1C)N[C@@H]1N=NN=C1C(=O)NC[*:1]
Cn1ncnc1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C Cn1ncnc1[*:1] C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[*:1]
Cn1ncnc1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C c1ccc(cc1)[*:1] Cn1ncnc1CNC(=O)N[C@H](C[NH+](C)C)C[*:1]
Cn1ncnc1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C Cn1ncnc1C[*:1] C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[*:1]
Cn1ncnc1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C c1ccc(cc1)C[*:1] Cn1ncnc1CNC(=O)N[C@@H](C[NH+](C)C)[*:1]
Cc1nnc([C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] Cc1nnc(o1)[C@H](C)Sc1nnc(-c2ccccc2)n1[*:1]
Cc1nnc([C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)o1 Cc1nnc(o1)[*:1] C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)[*:1]
Cc1nnc([C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)o1 c1ccc(cc1)[*:1] Cc1nnc(o1)[C@H](C)Sc1nnc(n1-c1ccc(F)cc1)[*:1]
COc1c(Cl)cc(Cl)cc1C[NH2+]CCCn1ccnc1 c1cn(cn1)[*:1] COc1c(Cl)cc(Cl)cc1C[NH2+]CCC[*:1]
COc1c(Cl)cc(Cl)cc1C[NH2+]CCCn1ccnc1 c1cn(cn1)C[*:1] COc1c(Cl)cc(Cl)cc1C[NH2+]CC[*:1]
CCCN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3-4)cc2S1(=O)=O CCC[*:1] O=C(Nc1ccc2c(c1)C(=O)c1ccccc1-2)c1ccc2C(=O)N(S(=O)(=O)c2c1)[*:1]
CC/C(NNC(=O)Nc1ccccc1)=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1[O-] c1ccc(cc1)[*:1] CC/C(NNC(=O)Nc1ccccc1)=C1\C(=O)N(C[*:1])C(=O)N=C1[O-]
CC/C(NNC(=O)Nc1ccccc1)=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1[O-] c1ccc(cc1)[*:1] CC/C(NNC(=O)N[*:1])=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1[O-]
CC/C(NNC(=O)Nc1ccccc1)=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1[O-] c1ccc(cc1)C[*:1] CC/C(NNC(=O)Nc1ccccc1)=C1\C(=O)N(C(=O)N=C1[O-])[*:1]
COc1ccccc1C(=O)NC[C@H](O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1C(=O)NC[C@H](O)[*:1]
CO[C@@H]1CCC[C@H](OC(=O)c2ccsc2)C1 c1cc(cs1)[*:1] CO[C@@H]1CCC[C@@H](C1)OC(=O)[*:1]
COc1ccc(CNc2ccncc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)CNc1ccncc1[*:1]
C[C@@H](Nc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-])c1ccccc1 C[C@@H](c1ccccc1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
C[C@@H](Nc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] C[C@@H](Nc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[*:1])c1ccccc1
C[C@@H](Nc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-])[*:1]
C[C@@H](Nc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-])c1ccccc1 C[C@@H](N[*:1])c1ccccc1 CC1(C)CC(CC(C)(C)[NH2+]1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
Cn1cc[nH+]c1N1CCN(CC[C@@H]2CCOC2=O)CC1 O=C1OCC[C@H]1[*:1] Cn1cc[nH+]c1N1CCN(CC1)CC[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H](C)c2cccc(C#N)c2)c1 Cc1cc(C)cc(c1)O[*:1] C[C@H](NC(=O)NNC(=O)C[*:1])c1cccc(C#N)c1
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H](C)c2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] Cc1cc(C)cc(c1)OCC(=O)NNC(=O)N[C@@H](C)[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=O)N[C@@H](C)c2cccc(C#N)c2)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](NC(=O)NNC(=O)CO[*:1])c1cccc(C#N)c1
Cc1c(C(=O)N[C@H](C)C(=O)N2CCCCC2)oc2ccc(Cl)cc12 O=C(N1CCCCC1)[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)N[C@H](C)[*:1]
Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccco3)CC2)c1 c1coc(c1)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)CNC(=O)[*:1]
Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccco3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCC(=O)N1CCN(CC1)[*:1])c1ccco1
Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccco3)CC2)c1 O=C(N[*:1])c1ccco1 Cc1cccc(c1)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(CN2C[C@@H](OCc3ccncc3)CN(C(=O)c3ccc(F)cc3Cl)CC2=O)cc1 c1cc(ccn1)C[*:1] COc1ccc(cc1)CN1C[C@H](CN(CC1=O)C(=O)c1ccc(F)cc1Cl)O[*:1]
COc1ccc(CN2C[C@@H](OCc3ccncc3)CN(C(=O)c3ccc(F)cc3Cl)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C1CN(C[C@@H](CN1C[*:1])OCc1ccncc1)C(=O)c1ccc(F)cc1Cl
COc1ccc(CN2C[C@@H](OCc3ccncc3)CN(C(=O)c3ccc(F)cc3Cl)CC2=O)cc1 COc1ccc(cc1)C[*:1] O=C(c1ccc(F)cc1Cl)N1CC(=O)N(C[C@H](C1)OCc1ccncc1)[*:1]
COc1ccc(CN2C[C@@H](OCc3ccncc3)CN(C(=O)c3ccc(F)cc3Cl)CC2=O)cc1 c1cc(ccn1)CO[*:1] COc1ccc(cc1)CN1C[C@@H](CN(CC1=O)C(=O)c1ccc(F)cc1Cl)[*:1]
COc1ccc(CN2C[C@@H](OCc3ccncc3)CN(C(=O)c3ccc(F)cc3Cl)CC2=O)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)CN1C[C@H](CN(CC1=O)C(=O)c1ccc(F)cc1Cl)OC[*:1]
COc1ccc(CN2C[C@@H](OCc3ccncc3)CN(C(=O)c3ccc(F)cc3Cl)CC2=O)cc1 Fc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)CN1C[C@H](CN(CC1=O)C(=O)[*:1])OCc1ccncc1
CN(Cc1ccc(F)cc1)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] CN(Cc1ccc(F)cc1)C(=O)NCC(C)(C)[*:1]
CN(Cc1ccc(F)cc1)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)NCC(C)(C)NC(=O)OC(C)(C)C
CN(Cc1ccc(F)cc1)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C Fc1ccc(cc1)C[*:1] CN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)[*:1]
CN(Cc1ccc(F)cc1)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CN(Cc1ccc(F)cc1)C(=O)NCC(C)(C)NC(=O)O[*:1]
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 O=[N+]([O-])[*:1] N#C/C(=C\c1ccccc1[*:1])C(=O)Nc1cc(Cl)cc(Cl)c1
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)N[*:1]
COCCn1ccc2ccc(NC(=O)C(=O)N[C@H](C)c3ccccc3)cc21 COC[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc2ccn(C[*:1])c2c1)c1ccccc1
COCCn1ccc2ccc(NC(=O)C(=O)N[C@H](C)c3ccccc3)cc21 C[C@H](c1ccccc1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)C(=O)N[*:1]
COCCn1ccc2ccc(NC(=O)C(=O)N[C@H](C)c3ccccc3)cc21 c1ccc(cc1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)C(=O)N[C@H](C)[*:1]
COCCn1ccc2ccc(NC(=O)C(=O)N[C@H](C)c3ccccc3)cc21 COCC[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc2ccn(c2c1)[*:1])c1ccccc1
C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)c1cccc(F)c1 CC(C)(C)[*:1] C[C@H](NC(=O)O[*:1])C(=O)NC(C)(C)c1cccc(F)c1
C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)[*:1]
CN(c1nc2ccccc2n2c(C3CCCCC3)nnc12)S(=O)(=O)c1ccccc1 C1CCC(CC1)[*:1] CN(c1nc2ccccc2n2c(nnc12)[*:1])S(=O)(=O)c1ccccc1
CN(c1nc2ccccc2n2c(C3CCCCC3)nnc12)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(c1nc2ccccc2n2c(nnc12)C1CCCCC1)S(=O)(=O)[*:1]
C[C@H]1OCC[C@@H]1C(=O)N1C[C@H](CC[NH3+])c2ccccc21 [NH3+]CC[*:1] C[C@H]1OCC[C@@H]1C(=O)N1C[C@H](c2ccccc21)[*:1]
C[C@@H]1CCC/C(=N\NC(=O)CCC(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCC/C(C1)=N\NC(=O)CCC(=O)N[*:1]
O=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] O=C(NCCc1csc(n1)[*:1])C(=O)Nc1ccccc1[N+](=O)[O-]
O=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] O=C(NCCc1csc(n1)-c1ccc(F)cc1)C(=O)N[*:1]
O=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCCc1csc(n1)-c1ccc(F)cc1)C(=O)Nc1ccccc1[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1-c1ccncc1 c1cc(ccn1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1[*:1]
COc1ccc(CNC(=O)N[C@H](c2ccccn2)C(C)C)c(OC)c1 CC(C)[*:1] COc1ccc(CNC(=O)N[C@H](c2ccccn2)[*:1])c(c1)OC
COc1ccc(CNC(=O)N[C@H](c2ccccn2)C(C)C)c(OC)c1 c1ccc(nc1)[*:1] COc1ccc(CNC(=O)N[C@H](C(C)C)[*:1])c(c1)OC
CC(=O)c1cc(C(=O)N2c3ccccc3C[C@@H]2C)n(C)c1 CC(=O)[*:1] C[C@H]1Cc2ccccc2N1C(=O)c1cc(cn1C)[*:1]
O=C(NCC#CCOc1ccccc1F)c1ccc2[nH]cnc2c1 Fc1ccccc1O[*:1] O=C(NCC#CC[*:1])c1ccc2[nH]cnc2c1
O=C(NCC#CCOc1ccccc1F)c1ccc2[nH]cnc2c1 Fc1ccccc1[*:1] O=C(NCC#CCO[*:1])c1ccc2[nH]cnc2c1
C[C@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(Cl)s1 C1CC1[*:1] C[C@H](OC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1ccc(Cl)s1
C[C@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](OC(=O)[C@H]1CCCN(C1)C(=O)C1CC1)[*:1]
CC(C)(C)[C@H]([NH2+]Cn1ncn(-c2ccccc2)c1=S)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@H]([NH2+]Cn1ncn(-c2ccccc2)c1=S)[*:1]
CC(C)(C)[C@H]([NH2+]Cn1ncn(-c2ccccc2)c1=S)c1cccs1 c1ccc(cc1)[*:1] CC(C)(C)[C@H]([NH2+]Cn1ncn(c1=S)[*:1])c1cccs1
CC(C)(C)[C@H]([NH2+]Cn1ncn(-c2ccccc2)c1=S)c1cccs1 CC(C)(C)[*:1] S=c1n(cnn1C[NH2+][C@H](c1cccs1)[*:1])-c1ccccc1
N#CSc1cc(Cl)c(N)cc1C(F)(F)F FC(F)(F)[*:1] N#CSc1cc(Cl)c(N)cc1[*:1]
N#CSc1cc(Cl)c(N)cc1C(F)(F)F N#CS[*:1] Nc1cc(c(cc1Cl)[*:1])C(F)(F)F
COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NC[C@@H]2CCCO2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1[*:1]
COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NC[C@@H]2CCCO2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1Nn2c(nnc2[*:1])S[C@H]1C(=O)NC[C@@H]1CCCO1
COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NC[C@@H]2CCCO2)cc1 O=C(NC[C@@H]1CCCO1)[*:1] COc1ccc(cc1)[C@H]1Nn2c(nnc2-c2ccccc2)S[C@@H]1[*:1]
COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1)[C@H]1Nn2c(nnc2-c2ccccc2)S[C@H]1C(=O)NC[*:1]
COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] COc1ccc(cc1)[C@H]1Nn2c(nnc2-c2ccccc2)S[C@H]1C(=O)N[*:1]
CCCCN1C(=O)c2ccccc2N[C@]1(C)c1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] CCCCN1C(=O)c2ccccc2N[C@]1(C)c1cccc(c1)[*:1]
CCCCN1C(=O)c2ccccc2N[C@]1(C)c1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CCCCN1C(=O)c2ccccc2N[C@]1(C)c1cccc(c1)OC[*:1]
CCCCN1C(=O)c2ccccc2N[C@]1(C)c1cccc(OC[C@@H]2CCCO2)c1 CCCC[*:1] C[C@@]1(Nc2ccccc2C(=O)N1[*:1])c1cccc(c1)OC[C@@H]1CCCO1
CCCCN1C(=O)c2ccccc2N[C@]1(C)c1cccc(OC[C@@H]2CCCO2)c1 CCC[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[*:1])c1cccc(c1)OC[C@@H]1CCCO1
CCCCN1C(=O)c2ccccc2N[C@]1(C)c1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] CCCCN1C(=O)c2ccccc2N[C@]1(C)c1cccc(c1)O[*:1]
Cc1cc([C@H]([NH3+])CCCC(=O)[O-])c(F)cc1F O=C([O-])[*:1] Cc1cc(c(F)cc1F)[C@H]([NH3+])CCC[*:1]
Cc1cc([C@H]([NH3+])CCCC(=O)[O-])c(F)cc1F O=C([O-])C[*:1] Cc1cc(c(F)cc1F)[C@H]([NH3+])CC[*:1]
Cc1cc([C@H]([NH3+])CCCC(=O)[O-])c(F)cc1F O=C([O-])CC[*:1] Cc1cc(c(F)cc1F)[C@H]([NH3+])C[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 Fc1ccccc1[*:1] C[C@@H](N(C)C(=O)CNC(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)CNC(=O)c1cccc(c1)[*:1]
Cc1ccc(NC(=O)CSCc2ccnn2C)c(C)c1 Cn1nccc1[*:1] Cc1ccc(NC(=O)CSC[*:1])c(C)c1
CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)nc1)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](C[NH2+]Cc1ccc(Cl)nc1)[*:1]
CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)nc1)N1CC[NH+](C)CC1 Clc1ccc(cn1)[*:1] CC(C)[C@@H](C[NH2+]C[*:1])N1CC[NH+](C)CC1
COc1cc([C@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)ccc1OCC#N N#CC[*:1] COc1cc(ccc1O[*:1])[C@H]1NC(=O)c2sc3nc(C)cc(C)c3c2N1
COc1cc([C@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)ccc1OCC#N N#CCO[*:1] COc1cc(ccc1[*:1])[C@H]1NC(=O)c2sc3nc(C)cc(C)c3c2N1
COC[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C(N)=O COC[*:1] NC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)[*:1]
COC[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)[*:1]
CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(Br)c1 FC(F)(F)[*:1] CN(C(=O)C1CCN(CC1)c1ccc(cn1)[*:1])c1cccc(Br)c1
CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CN(C(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
CC(C)c1n[nH]c(-c2nn3c(-c4cccs4)nnc3s2)c1Br c1csc(c1)[*:1] CC(C)c1n[nH]c(-c2nn3c(nnc3s2)[*:1])c1Br
CC(C)c1n[nH]c(-c2nn3c(-c4cccs4)nnc3s2)c1Br CC(C)[*:1] Brc1c(n[nH]c1-c1nn2c(nnc2s1)-c1cccs1)[*:1]
CC1(C)C[C@@H](NC(=O)CC[C@@]2(Cc3ccc4ccccc4c3)CCC(=O)N2)CCO1 c1ccc2cc(ccc2c1)[*:1] CC1(C)C[C@H](CCO1)NC(=O)CC[C@]1(CCC(=O)N1)C[*:1]
CN(Cc1ccccc1F)C(=O)C1=Cc2cc(F)ccc2OC1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)C1=Cc2cc(F)ccc2OC1
COC(=O)[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@H]1[*:1])C(=O)c1ccccc1F
COc1c(F)cc(NC(=O)[C@@H](C)OC)cc1F CO[C@H](C)[*:1] COc1c(F)cc(cc1F)NC(=O)[*:1]
CCC[NH2+][C@@H](CC)c1nnc(C[C@@H]2CCCCO2)s1 CCC[*:1] CC[C@H]([NH2+][*:1])c1nnc(C[C@@H]2CCCCO2)s1
CCC[NH2+][C@@H](CC)c1nnc(C[C@@H]2CCCCO2)s1 C1CC[C@H](OC1)[*:1] CCC[NH2+][C@@H](CC)c1nnc(C[*:1])s1
CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CC[C@@H](CC)C3)CC2)o1 CCOC(=O)[*:1] CC[C@@H]1CC[C@@H](C1)[NH+]1CCN(CC1)S(=O)(=O)c1ccc(o1)[*:1]
Cc1ccc(CNC(=O)C(=O)NC[C@@](C)(O)c2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)C(=O)NC[*:1])c1ccc2OCOc2c1
Cc1ccc(CNC(=O)C(=O)NC[C@@](C)(O)c2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)CNC(=O)C(=O)NC[C@@](C)(O)[*:1]
Cc1ccc(CNC(=O)C(=O)NC[C@@](C)(O)c2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)C[*:1] C[C@@](O)(CNC(=O)C(=O)N[*:1])c1ccc2OCOc2c1
CO[C@H](C)c1nc(-c2cccc(N)c2)cs1 CO[C@H](C)[*:1] Nc1cccc(c1)-c1csc(n1)[*:1]
Cc1c(C(=O)c2ccc(Br)cc2)c([O-])n(CCCOC(C)C)c(=O)c1C#N CC(C)OC[*:1] Cc1c(C(=O)c2ccc(Br)cc2)c([O-])n(CC[*:1])c(=O)c1C#N
Cc1c(C(=O)c2ccc(Br)cc2)c([O-])n(CCCOC(C)C)c(=O)c1C#N CC(C)[*:1] Cc1c(C(=O)c2ccc(Br)cc2)c([O-])n(CCCO[*:1])c(=O)c1C#N
Cc1c(C(=O)c2ccc(Br)cc2)c([O-])n(CCCOC(C)C)c(=O)c1C#N Brc1ccc(cc1)[*:1] Cc1c(C(=O)[*:1])c([O-])n(CCCOC(C)C)c(=O)c1C#N
Cc1c(C(=O)c2ccc(Br)cc2)c([O-])n(CCCOC(C)C)c(=O)c1C#N CC(C)O[*:1] Cc1c(C(=O)c2ccc(Br)cc2)c([O-])n(CCC[*:1])c(=O)c1C#N
Cc1c(C(=O)c2ccc(Br)cc2)c([O-])n(CCCOC(C)C)c(=O)c1C#N CC(C)OCCC[*:1] Cc1c(C(=O)c2ccc(Br)cc2)c([O-])n(c(=O)c1C#N)[*:1]
Cc1c(C(=O)c2ccc(Br)cc2)c([O-])n(CCCOC(C)C)c(=O)c1C#N CC(C)OCC[*:1] Cc1c(C(=O)c2ccc(Br)cc2)c([O-])n(C[*:1])c(=O)c1C#N
Cc1c(C(=O)c2ccc(Br)cc2)c([O-])n(CCCOC(C)C)c(=O)c1C#N O=C(c1ccc(Br)cc1)[*:1] Cc1c(c([O-])n(CCCOC(C)C)c(=O)c1C#N)[*:1]
O=C(c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCc2ccccc2C1 FC(F)(F)[*:1] O=C(c1cnn2c1N[C@@H](C[C@H]2[*:1])c1ccco1)N1CCc2ccccc2C1
O=C(c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCc2ccccc2C1 c1coc(c1)[*:1] O=C(c1cnn2c1N[C@H](C[C@@H]2C(F)(F)F)[*:1])N1CCc2ccccc2C1
Cc1ccc(F)c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N(C)CCc2ccncc2)c1 c1cc(ccn1)C[*:1] Cc1ccc(F)c(c1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N(C)C[*:1]
Cc1ccc(F)c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N(C)CCc2ccncc2)c1 Cc1ccc(F)c(c1)[*:1] CN(CCc1ccncc1)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[*:1]
Cc1ccc(F)c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N(C)CCc2ccncc2)c1 c1cc(ccn1)[*:1] Cc1ccc(F)c(c1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N(C)CC[*:1]
Cc1ccc(F)c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N(C)CCc2ccncc2)c1 c1cc(ccn1)CC[*:1] Cc1ccc(F)c(c1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N(C)[*:1]
O=C(NCc1ccccc1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(cc1)Cn1nnc2ccccc2c1=O
O=C(NCc1ccccc1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(cc1)Cn1nnc2ccccc2c1=O
C[C@@H](CNC(=O)N[C@H](c1ccccc1)c1cccc(F)c1)N1CCOCC1 Fc1cccc(c1)[*:1] C[C@@H](CNC(=O)N[C@H](c1ccccc1)[*:1])N1CCOCC1
C[C@@H](CNC(=O)N[C@H](c1ccccc1)c1cccc(F)c1)N1CCOCC1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@H](c1cccc(F)c1)[*:1])N1CCOCC1
C[C@@H](CNC(=O)N[C@H](c1ccccc1)c1cccc(F)c1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)N[C@H](c1ccccc1)c1cccc(F)c1)[*:1]
O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 Fc1ccccc1[*:1] O=C(NC[*:1])c1cccc(c1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1
O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 Fc1ccccc1C[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1
Cc1nc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)o2)cs1 C[C@H]1CCCN(C1)S(=O)(=O)[*:1] Cc1nc(cs1)-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
Cc1nc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)o2)cs1 Cc1nc(cs1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
O=C(/C=C/c1ccco1)Nc1ccc2c(c1)C(=O)NCC2 C(=C[*:1])c1ccco1 O=C1NCCc2ccc(cc21)NC(=O)[*:1]
O=C(/C=C/c1ccco1)Nc1ccc2c(c1)C(=O)NCC2 c1coc(c1)[*:1] O=C(C=C[*:1])Nc1ccc2CCNC(=O)c2c1
C[C@@H](OCc1ccccc1Cl)c1ccc(C(=O)[O-])o1 O=C([O-])[*:1] C[C@@H](OCc1ccccc1Cl)c1ccc(o1)[*:1]
Cc1nc(NC(=O)[C@H](C)CCOc2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)NC(=O)[C@H](C)CCO[*:1]
Cc1nc(NC(=O)[C@H](C)CCOc2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@H](CCOc1ccccc1)C(=O)N[*:1]
Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1 c1ccc(C[*:1])nc1 Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1[*:1]
Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1 c1ccc2cc(ccc2c1)[*:1] Cc1ccccc1/N=C1\S[C@@H](CC(=O)N[*:1])C(=O)N1Cc1ccccn1
Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1 c1ccc(nc1)[*:1] Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C[*:1]
Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1 Cc1ccccc1[*:1] O=C(C[C@@H]1SC(=N[*:1])N(Cc2ccccn2)C1=O)Nc1ccc2ccccc2c1
Cc1ccc(CN2C[C@@H](C(=O)N3CC[C@@H](C(N)=O)C3)CC2=O)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@@H]1CCN(C1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(CN2C[C@@H](C(=O)N3CC[C@@H](C(N)=O)C3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] NC(=O)[C@@H]1CCN(C1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2C[C@@H](C(=O)N3CC[C@@H](C(N)=O)C3)CC2=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)N1CC[C@@H](C1)[*:1]
COc1ccc(NC(=O)Nc2ccn(C)n2)cc1 Cn1ccc(n1)[*:1] COc1ccc(cc1)NC(=O)N[*:1]
CCCCNC(=O)c1onc(C)c1Cl CCC[*:1] Cc1noc(C(=O)NC[*:1])c1Cl
CCCCNC(=O)c1onc(C)c1Cl CCCC[*:1] Cc1noc(C(=O)N[*:1])c1Cl
C1CCN(C2CCSCC2)C[C@H]([NH+]2CCCC2)C1 C1CC(CCS1)[*:1] C1CCN(C[C@@H](C1)[NH+]1CCCC1)[*:1]
CCN1CC(=O)Nc2cc(C(=O)Nc3ccc(-n4ccnn4)cc3)ccc21 c1cn(nn1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C)nc(N(C)CC(C)(C)O)n1 CC(C)(O)[*:1] Cc1cc(C)nc(n1)N(C)C[*:1]
Cc1cc(C)nc(N(C)CC(C)(C)O)n1 CC(C)(O)C[*:1] Cc1cc(C)nc(n1)N(C)[*:1]
CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccnc(c1)[*:1]
CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccnc(c1)O[*:1]
CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccnc(OC2CCC2)c1 CC(C)(C)[*:1] c1cc(cc(n1)OC1CCC1)C[NH2+]Cc1c[nH]nc1[*:1]
O=C(c1n[nH]c(C2CC2)n1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 C1CC1[*:1] O=C(c1n[nH]c(n1)[*:1])N1CCC[C@@H](C1)[C@@H]1CCC[NH2+]1
COc1ccc(Cl)cc1CNC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)S[*:1] COc1ccc(Cl)cc1CNC(=O)[C@@H](C)[*:1]
COc1ccc(Cl)cc1CNC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] COc1ccc(Cl)cc1CNC(=O)[C@@H](C)S[*:1]
Cc1ccc(C2=Nn3c(nnc3C3CCCCC3)S[C@H]2C)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)C1=Nn2c(nnc2[*:1])S[C@H]1C
Cc1ccc(C2=Nn3c(nnc3C3CCCCC3)S[C@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1Sc2nnc(C3CCCCC3)n2N=C1[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)cc1 CC(=O)N[*:1] Cc1cc(C)cc(c1)Oc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)cc1 Cc1cc(C)cc(c1)O[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)cc1 Cc1cc(C)cc(c1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)O[*:1]
O=S(=O)([N-]c1nnc(C2CC2)s1)c1c(Cl)cccc1Cl C1CC1[*:1] O=S(=O)([N-]c1nnc(s1)[*:1])c1c(Cl)cccc1Cl
CNS(=O)(=O)c1ccc(C)c(NC(=O)N2C[C@H](C)CC[C@@H]2C)c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)N1C[C@H](C)CC[C@@H]1C)[*:1]
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 O=C([O-])[*:1] O=S(=O)([N-]c1ccc(F)cc1)c1cc(cs1)[*:1]
COCCn1nnc(C(=O)[O-])c1C(F)(F)F COCC[*:1] O=C([O-])c1nnn(c1C(F)(F)F)[*:1]
COCCn1nnc(C(=O)[O-])c1C(F)(F)F O=C([O-])[*:1] COCCn1nnc(c1C(F)(F)F)[*:1]
COCCn1nnc(C(=O)[O-])c1C(F)(F)F FC(F)(F)[*:1] COCCn1nnc(C(=O)[O-])c1[*:1]
COCCn1nnc(C(=O)[O-])c1C(F)(F)F COC[*:1] O=C([O-])c1nnn(C[*:1])c1C(F)(F)F
CCOCCn1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CCOCCn1cc(cn1)[*:1]
CCOCCn1cc([N+](=O)[O-])cn1 CCOC[*:1] O=[N+]([O-])c1cnn(c1)C[*:1]
CCOCCn1cc([N+](=O)[O-])cn1 CCO[*:1] O=[N+]([O-])c1cnn(c1)CC[*:1]
CC[C@H](CO)N1CCN(Cc2ccc(Br)s2)CC1 CC[C@H](CO)[*:1] Brc1ccc(CN2CCN(CC2)[*:1])s1
CC[C@H](CO)N1CCN(Cc2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] CC[C@H](CO)N1CCN(CC1)C[*:1]
CCOc1ccccc1NC(=O)CNc1cccc(Cl)c1Cl CCO[*:1] O=C(CNc1cccc(Cl)c1Cl)Nc1ccccc1[*:1]
C[C@@H](Nc1ncccc1C#N)c1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H](Nc1ncccc1C#N)c1cccc(c1)NC(=O)[*:1]
C[C@@H](Nc1ncccc1C#N)c1cccc(NC(=O)c2ccccc2)c1 N#Cc1cccnc1[*:1] C[C@@H](N[*:1])c1cccc(c1)NC(=O)c1ccccc1
COc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)cc1OC COc1ccc(cc1OC)C[*:1] C[C@@]1(Cn2c(ccc2-c2ccco2)C(=O)N1[*:1])C(=O)NC1CCCCC1
COc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)cc1OC O=C(NC1CCCCC1)[*:1] COc1ccc(cc1OC)CN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)[*:1]
COc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)cc1OC COc1ccc(cc1OC)[*:1] C[C@@]1(Cn2c(ccc2-c2ccco2)C(=O)N1C[*:1])C(=O)NC1CCCCC1
COc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)CN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[*:1]
COc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)CN1C(=O)c2ccc(n2C[C@]1(C)C(=O)NC1CCCCC1)[*:1]
COc1cc2c(cc1OC)C[NH+](CCNC(=O)c1oc(C)nc1C)CC2 Cc1nc(C)c(o1)[*:1] COc1cc2CC[NH+](CCNC(=O)[*:1])Cc2cc1OC
O=C1CC[C@H](C(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)N1 C1CO[C@H](C1)CO[*:1] O=C1CC[C@@H](N1)C(=O)NCc1ccc(cc1)[*:1]
O=C1CC[C@H](C(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)N1 C1CO[C@H](C1)C[*:1] O=C1CC[C@@H](N1)C(=O)NCc1ccc(cc1)O[*:1]
O=C1CC[C@H](C(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)N1 C1CO[C@H](C1)[*:1] O=C1CC[C@@H](N1)C(=O)NCc1ccc(cc1)OC[*:1]
O=C1CC[C@H](C(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)N1 O=C1CC[C@H](N1)[*:1] O=C(NCc1ccc(cc1)OC[C@H]1CCCO1)[*:1]
Cc1cc(N(C)C)nc([C@]2(C)CCCN2C(=O)c2cncnc2)[nH+]1 CN(C)[*:1] Cc1cc(nc([nH+]1)[C@]1(C)CCCN1C(=O)c1cncnc1)[*:1]
Cc1cc(N(C)C)nc([C@]2(C)CCCN2C(=O)c2cncnc2)[nH+]1 c1ncc(cn1)[*:1] Cc1cc(nc([nH+]1)[C@]1(C)CCCN1C(=O)[*:1])N(C)C
CCCCCn1c(SC)nc2sc3c(c2c1=O)CCC3 CCCCC[*:1] CSc1nc2sc3CCCc3c2c(=O)n1[*:1]
CCCCCn1c(SC)nc2sc3c(c2c1=O)CCC3 CCC[*:1] CSc1nc2sc3CCCc3c2c(=O)n1CC[*:1]
CCCCCn1c(SC)nc2sc3c(c2c1=O)CCC3 CCCC[*:1] CSc1nc2sc3CCCc3c2c(=O)n1C[*:1]
CCN(CC)C(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 CCN(CC)C(=O)[*:1] COc1cc(cc(c1)N1C[C@@H](CC1=O)[*:1])OC
FC(F)(F)c1cc(NC(=S)NCc2ccco2)ccc1Cl FC(F)(F)[*:1] S=C(NCc1ccco1)Nc1ccc(Cl)c(c1)[*:1]
FC(F)(F)c1cc(NC(=S)NCc2ccco2)ccc1Cl c1coc(c1)C[*:1] FC(F)(F)c1cc(ccc1Cl)NC(=S)N[*:1]
FC(F)(F)c1cc(NC(=S)NCc2ccco2)ccc1Cl c1coc(c1)[*:1] FC(F)(F)c1cc(ccc1Cl)NC(=S)NC[*:1]
O=C(CCS(=O)(=O)C1CCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 C1CCC(C1)[*:1] O=C(CCS(=O)(=O)[*:1])N1CCC[C@H](C1)n1cc[nH+]c1
COC(OC)[C@@H]([NH3+])[C@H]1CC[C@H](C)[C@@H](C)C1 COC(OC)[*:1] C[C@H]1CC[C@@H](C[C@@H]1C)[C@H]([NH3+])[*:1]
Cc1ccc(C(=O)CCC(=O)N(C)c2ccc3nc(C)sc3c2)s1 Cc1ccc(s1)C(=O)[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)CC[*:1]
Cc1ccc(C(=O)CCC(=O)N(C)c2ccc3nc(C)sc3c2)s1 Cc1ccc(s1)[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)CCC(=O)[*:1]
CCN(C(=O)CN1CC[NH+](CC2CC2)CC1)c1cccc2ccccc12 C1CC1[*:1] CCN(C(=O)CN1CC[NH+](CC1)C[*:1])c1cccc2ccccc12
O=C(CC1CCCC1)N1CCN(C2=[NH+]N=C(c3ccccc3)CS2)CC1 c1ccc(cc1)[*:1] O=C(CC1CCCC1)N1CCN(CC1)C1=[NH+]N=C(CS1)[*:1]
O=C(CC1CCCC1)N1CCN(C2=[NH+]N=C(c3ccccc3)CS2)CC1 C1CCC(C1)C[*:1] O=C(N1CCN(CC1)C1=[NH+]N=C(CS1)c1ccccc1)[*:1]
O=C(CC1CCCC1)N1CCN(C2=[NH+]N=C(c3ccccc3)CS2)CC1 C1CCC(C1)[*:1] O=C(C[*:1])N1CCN(CC1)C1=[NH+]N=C(CS1)c1ccccc1
Cc1cc(CCO)ccc1Br OCC[*:1] Cc1cc(ccc1Br)[*:1]
CC[C@](C)(NC(=O)c1nc2nccc(C)n2n1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)c1nc2nccc(C)n2n1)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N3CC[NH+](C4CC4)CC3)cc12 COC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])N1CC[NH+](CC1)C1CC1
COC(=O)c1n[nH]c2ccc(NC(=O)N3CC[NH+](C4CC4)CC3)cc12 C1CC1[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)N1CC[NH+](CC1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl CN(C)S(=O)(=O)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)c1cc(ccc1Cl)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)C
CSC(C)(C)CNC(=O)N[C@H](C)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CSC(C)(C)CNC(=O)N[C@H](C)[C@H](C)[*:1]
CSC(C)(C)CNC(=O)N[C@H](C)[C@H](C)c1ccccc1 CSC(C)(C)C[*:1] C[C@@H](NC(=O)N[*:1])[C@H](C)c1ccccc1
CSC(C)(C)CNC(=O)N[C@H](C)[C@H](C)c1ccccc1 CSC(C)(C)[*:1] C[C@@H](NC(=O)NC[*:1])[C@H](C)c1ccccc1
Cn1ncnc1CNC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] Cn1ncnc1CNC(=O)N[C@@H]1CCCN(C1)[*:1]
Cn1ncnc1CNC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 Cn1ncnc1C[*:1] O=C(N[C@@H]1CCCN(C1)c1cccc(F)c1)N[*:1]
Cn1ncnc1CNC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 Cn1ncnc1[*:1] O=C(NC[*:1])N[C@@H]1CCCN(C1)c1cccc(F)c1
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 COC(=O)[*:1] CC[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc(C)c(C)c1[*:1]
CCCNC(=O)N(Cc1cccnc1)Cc1ccccc1Cl CCC[*:1] O=C(N[*:1])N(Cc1cccnc1)Cc1ccccc1Cl
CCCNC(=O)N(Cc1cccnc1)Cc1ccccc1Cl c1cncc(c1)[*:1] CCCNC(=O)N(Cc1ccccc1Cl)C[*:1]
CCCNC(=O)N(Cc1cccnc1)Cc1ccccc1Cl Clc1ccccc1[*:1] CCCNC(=O)N(Cc1cccnc1)C[*:1]
CCCNC(=O)N(Cc1cccnc1)Cc1ccccc1Cl c1cncc(c1)C[*:1] CCCNC(=O)N(Cc1ccccc1Cl)[*:1]
CC(=O)Nc1nc2c(C)cc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2s1 Fc1ccc(F)c(c1)[*:1] CC(=O)Nc1nc2c(C)cc(cc2s1)[N-]S(=O)(=O)[*:1]
CC(=O)Nc1nc2c(C)cc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2s1 CC(=O)N[*:1] Cc1cc(cc2sc(nc12)[*:1])[N-]S(=O)(=O)c1cc(F)ccc1F
C[C@H]1CC(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)C[C@H](C)O1 Fc1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC[C@@H]1C[C@H](O)[*:1]
C[C@H]1C[C@H]1C(=O)N[C@@H](CC[NH+](C)C)c1ccc(F)cc1 C[C@H]1C[C@@H]1[*:1] C[NH+](C)CC[C@H](NC(=O)[*:1])c1ccc(F)cc1
CCc1c(C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)csc1C FC(F)[*:1] CCc1c(csc1C)C(=O)N1N=C(C[C@]1(O)[*:1])C(F)F
CCc1c(C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)csc1C FC(F)[*:1] CCc1c(csc1C)C(=O)N1N=C(C[C@@]1(O)C(F)F)[*:1]
Cc1[nH]nc2c1N[C@H](c1cn(Cc3ccccc3)nc1-c1ccccc1)NC2=O c1ccc(cc1)C[*:1] Cc1[nH]nc2C(=O)N[C@H](Nc21)c1cn(nc1-c1ccccc1)[*:1]
Cc1[nH]nc2c1N[C@H](c1cn(Cc3ccccc3)nc1-c1ccccc1)NC2=O c1ccc(cc1)[*:1] Cc1[nH]nc2C(=O)N[C@H](Nc21)c1cn(Cc2ccccc2)nc1[*:1]
Cc1[nH]nc2c1N[C@H](c1cn(Cc3ccccc3)nc1-c1ccccc1)NC2=O c1ccc(cc1)[*:1] Cc1[nH]nc2C(=O)N[C@H](Nc21)c1cn(C[*:1])nc1-c1ccccc1
COc1ccccc1-c1nn(C)cc1C(=O)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] COc1ccccc1-c1nn(C)cc1C(=O)N[C@@H](CO)[*:1]
COc1ccccc1-c1nn(C)cc1C(=O)N[C@@H](CO)c1ccco1 COc1ccccc1[*:1] Cn1cc(C(=O)N[C@@H](CO)c2ccco2)c(n1)[*:1]
CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N[*:1]
CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NC[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N(C)Cc2ccc(F)cc2)cc1 CC(=O)[*:1] CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N(C)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1C(=O)N(C)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N(C)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1C(=O)N(C)C[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N(C)Cc2ccc(F)cc2)cc1 CC(=O)c1ccc(cc1)[*:1] CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCCN1S(=O)(=O)[*:1]
C/[NH+]=C(/NC[C@H](O)c1ccc2ccccc2c1)NC1CC1 C1CC1[*:1] C/[NH+]=C(/NC[C@H](O)c1ccc2ccccc2c1)N[*:1]
COc1ccc(Cl)cc1NC(=O)CCSc1nnc2ccc3ccccc3n12 COc1ccc(Cl)cc1[*:1] O=C(CCSc1nnc2ccc3ccccc3n12)N[*:1]
Cc1cc([C@@H]([NH3+])C[C@H](C)CC(=O)[O-])ccc1F O=C([O-])[*:1] Cc1cc(ccc1F)[C@@H]([NH3+])C[C@H](C)C[*:1]
Cc1cc([C@@H]([NH3+])C[C@H](C)CC(=O)[O-])ccc1F O=C([O-])C[*:1] Cc1cc(ccc1F)[C@@H]([NH3+])C[C@H](C)[*:1]
CCCCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C2CCCCC2)c1N CCCC[*:1] Cc1cccn2c(=O)c3cc(C(=O)NCC[*:1])c(N)[n+](c3nc12)C1CCCCC1
CCCCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C2CCCCC2)c1N CCC[*:1] Cc1cccn2c(=O)c3cc(C(=O)NCCC[*:1])c(N)[n+](c3nc12)C1CCCCC1
CCCCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C2CCCCC2)c1N CCCCCC[*:1] Cc1cccn2c(=O)c3cc(C(=O)N[*:1])c(N)[n+](c3nc12)C1CCCCC1
CCCCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C2CCCCC2)c1N CCCCC[*:1] Cc1cccn2c(=O)c3cc(C(=O)NC[*:1])c(N)[n+](c3nc12)C1CCCCC1
CCCCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C2CCCCC2)c1N CCCCCCNC(=O)[*:1] Cc1cccn2c(=O)c3cc(c(N)[n+](c3nc12)C1CCCCC1)[*:1]
CCCCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C2CCCCC2)c1N C1CCC(CC1)[*:1] CCCCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](c1N)[*:1]
COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc(Br)c1OC c1ccc(cc1)[*:1] COc1cc(/C=N/NC(=O)[C@@H](OC)[*:1])cc(Br)c1OC
Cc1cscc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 Cc1cscc1[*:1] O=C(N1CCC(CC1)[C@H]1CCC[NH2+]1)[*:1]
CCOCCC(=O)[C@H](C#N)c1nc2ccccc2n1C CCOCC[*:1] Cn1c(nc2ccccc21)[C@@H](C#N)C(=O)[*:1]
CCOCCC(=O)[C@H](C#N)c1nc2ccccc2n1C CCOC[*:1] Cn1c(nc2ccccc21)[C@@H](C#N)C(=O)C[*:1]
CCOCCC(=O)[C@H](C#N)c1nc2ccccc2n1C CCO[*:1] Cn1c(nc2ccccc21)[C@@H](C#N)C(=O)CC[*:1]
CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O c1cc2CCCc2cc1[*:1] CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
O=C([O-])c1nn(Cc2ccc(F)cc2)c2ccccc12 O=C([O-])[*:1] Fc1ccc(cc1)Cn1nc(c2ccccc21)[*:1]
CNC(=O)c1cccc(OC(=O)Cc2ccc(OC)cc2)c1 CNC(=O)[*:1] COc1ccc(cc1)CC(=O)Oc1cccc(c1)[*:1]
C=CCNC(=O)C(=O)NCC[C@H](O)c1cccc2ccccc12 C=CC[*:1] O=C(NCC[C@H](O)c1cccc2ccccc12)C(=O)N[*:1]
CCc1ccccc1N1C(=O)/C(=C\c2cccc(Br)c2)NC1=S Brc1cccc(c1)[*:1] CCc1ccccc1N1C(=O)C(=C[*:1])NC1=S
CC(C)NC(=O)Nc1ccccc1C(=O)N1CCCCCCC1 CC(C)NC(=O)N[*:1] O=C(c1ccccc1[*:1])N1CCCCCCC1
CC(C)NC(=O)Nc1ccccc1C(=O)N1CCCCCCC1 CC(C)[*:1] O=C(Nc1ccccc1C(=O)N1CCCCCCC1)N[*:1]
CCOCCN(C)C(=O)NCC1CCC(CC)CC1 CCO[*:1] CCC1CCC(CC1)CNC(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)NCC1CCC(CC)CC1 CCOC[*:1] CCC1CCC(CC1)CNC(=O)N(C)C[*:1]
CCOCCN(C)C(=O)NCC1CCC(CC)CC1 CCOCC[*:1] CCC1CCC(CC1)CNC(=O)N(C)[*:1]
O=C(NCc1ccco1)c1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(NCc1ccco1)c1ccccc1[*:1]
O=C(NCc1ccco1)c1ccccc1N1CCCC1=O c1coc(c1)[*:1] O=C(NC[*:1])c1ccccc1N1CCCC1=O
O=C(NCc1ccco1)c1ccccc1N1CCCC1=O c1coc(c1)C[*:1] O=C(N[*:1])c1ccccc1N1CCCC1=O
O=C(Nc1ccccc1-n1cc(Br)cn1)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=C(Nc1ccccc1-n1cc(Br)cn1)c1cccc(c1)[*:1]
O=C(Nc1ccccc1-n1cc(Br)cn1)c1cccc(-n2cnnn2)c1 Brc1cnn(c1)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)-n1cnnn1
Cc1cc(F)cc(N[C@]2(CO)CCC[C@@H](C3CC3)C2)c1 C1CC1[*:1] Cc1cc(F)cc(c1)N[C@]1(CO)CCC[C@@H](C1)[*:1]
CCOc1ccc(NC(=O)c2nn(C)c3c2CSc2ccc(C)cc2-3)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc2SCc3c(nn(C)c3-c2c1)C(=O)N[*:1]
CCOc1ccc(NC(=O)c2nn(C)c3c2CSc2ccc(C)cc2-3)cc1 CCO[*:1] Cc1ccc2SCc3c(nn(C)c3-c2c1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NC[C@@H]1COc2ccccc2O1
CC(C)[NH+]1CCN(C(=O)c2ccccc2Cn2cncn2)CC1 c1ncn(n1)[*:1] CC(C)[NH+]1CCN(CC1)C(=O)c1ccccc1C[*:1]
CC(C)[NH+]1CCN(C(=O)c2ccccc2Cn2cncn2)CC1 c1ncn(C[*:1])n1 CC(C)[NH+]1CCN(CC1)C(=O)c1ccccc1[*:1]
CC(C)[NH+]1CCN(C(=O)c2ccccc2Cn2cncn2)CC1 CC(C)[*:1] O=C(c1ccccc1Cn1cncn1)N1CC[NH+](CC1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(=O)NC[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 CN(C)S(=O)(=O)[*:1] O=C(Nc1sc2CCCCc2c1C(=O)NCc1ccccc1)c1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 O=C(NCc1ccccc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCc2c1[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 c1ccc(cc1)C[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(=O)N[*:1]
Cn1cnc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])N1CCC[C@H]1c1ccc(F)cc1
Cn1cnc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)n1 Cn1cnc(C[*:1])n1 O=C(N[*:1])N1CCC[C@H]1c1ccc(F)cc1
Cn1cnc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cn1cnc(CNC(=O)N2CCC[C@@H]2[*:1])n1
COc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCc3cccnc3)o2)c1 COc1cccc(c1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)c1nc(oc1NCc1cccnc1)[*:1]
COc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCc3cccnc3)o2)c1 c1cncc(c1)[*:1] COc1cccc(c1)-c1nc(c(NC[*:1])o1)S(=O)(=O)c1ccc2OCCOc2c1
COc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCc3cccnc3)o2)c1 c1cncc(c1)C[*:1] COc1cccc(c1)-c1nc(c(N[*:1])o1)S(=O)(=O)c1ccc2OCCOc2c1
COc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCc3cccnc3)o2)c1 c1cncc(c1)CN[*:1] COc1cccc(c1)-c1nc(c(o1)[*:1])S(=O)(=O)c1ccc2OCCOc2c1
COc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCc3cccnc3)o2)c1 c1cc2OCCOc2cc1[*:1] COc1cccc(c1)-c1nc(c(NCc2cccnc2)o1)S(=O)(=O)[*:1]
CC(C)(CC[NH3+])CCC(=O)NCC1(C)COC1 CC1(COC1)[*:1] CC(C)(CC[NH3+])CCC(=O)NC[*:1]
NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 NC(=O)[*:1] Fc1ccc(cc1)[C@H]1C[C@H]1[*:1]
CCC[NH+]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 CS(=O)(=O)[*:1] CCC[NH+]1CCN(CC1)C(=O)c1cc(ccc1C)[*:1]
CCC[NH+]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 CCC[*:1] Cc1ccc(cc1C(=O)N1CC[NH+](CC1)[*:1])S(C)(=O)=O
CCc1ccccc1NC(=O)NC1CC[NH+](CC(C)C)CC1 CC(C)[*:1] CCc1ccccc1NC(=O)NC1CC[NH+](CC1)C[*:1]
CCc1ccccc1NC(=O)NC1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] CCc1ccccc1NC(=O)NC1CC[NH+](CC1)[*:1]
COc1ncnc(NC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ncnc(NC[C@@H]2CCC[NH2+]2)c1[*:1]
Cc1cccc(C2(C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)c1 O=S1(=O)CC[C@H](C1)[*:1] Cc1cccc(c1)C1(CC1)C(=O)NC[*:1]
Cc1cccc(C2(C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)C1(CC1)[*:1]
CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1nc2cccnc2n1C CC(C)NC(=O)[*:1] Cn1c(CCC(=O)N2C[C@@H]([NH3+])C[C@H]2[*:1])nc2cccnc21
CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCc1nc2cccnc2n1C CC(C)[*:1] Cn1c(CCC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)N[*:1])nc2cccnc21
O=c1c2cc(Br)ccc2ncn1C[C@@H](O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=c1c2cc(Br)ccc2ncn1C[C@@H](O)c1ccc(cc1)[*:1]
Cc1cc(N[C@@H](C)C(=O)NCc2ccccc2)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] Cc1cc(nc(n1)[*:1])N[C@@H](C)C(=O)NCc1ccccc1
Cc1cc(N[C@@H](C)C(=O)NCc2ccccc2)nc(-c2ccncc2)n1 c1ccc(cc1)C[*:1] Cc1cc(nc(n1)-c1ccncc1)N[C@@H](C)C(=O)N[*:1]
Cc1cc(N[C@@H](C)C(=O)NCc2ccccc2)nc(-c2ccncc2)n1 c1ccc(cc1)[*:1] Cc1cc(nc(n1)-c1ccncc1)N[C@@H](C)C(=O)NC[*:1]
C[C@H](NC(=O)[C@@H](O)c1ccccc1)c1ccc(Br)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](O)[*:1])c1ccc(Br)cc1
CCc1nc(C(=O)Nc2ccc(S(=O)(=O)CC)cc2)n[nH]1 CCS(=O)(=O)[*:1] CCc1nc(n[nH]1)C(=O)Nc1ccc(cc1)[*:1]
CCc1nc(C(=O)Nc2ccc(S(=O)(=O)CC)cc2)n[nH]1 CCc1nc(n[nH]1)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
O=C1[C@H]2C[C@H]2C(=O)N1Cc1coc(-c2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] O=C1[C@H]2C[C@H]2C(=O)N1Cc1coc(n1)[*:1]
CCOC(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 FC(F)(F)[*:1] CCOC(=O)c1cc2N[C@@H](C)C[C@@H](n2n1)C(F)(F)[*:1]
CCOC(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 CCOC(=O)[*:1] C[C@H]1C[C@@H](n2nc(cc2N1)[*:1])C(F)(F)C(F)(F)F
CCOC(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 FC(F)(F)C(F)(F)[*:1] CCOC(=O)c1cc2N[C@@H](C)C[C@H](n2n1)[*:1]
Cc1cc(C(=O)NCc2nc(-c3ccccc3)no2)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)NCc2nc(no2)-c2ccccc2)c(C)n1[*:1]
Cc1cc(C(=O)NCc2nc(-c3ccccc3)no2)c(C)n1C(C)C c1ccc(cc1)[*:1] Cc1cc(C(=O)NCc2nc(no2)[*:1])c(C)n1C(C)C
Cc1ccc(NC(=S)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1F)NC(=S)N/N=C/c1ccc(o1)-c1ccc(cc1)[*:1]
Cc1ccc(NC(=S)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1F Cc1ccc(cc1F)[*:1] O=[N+]([O-])c1ccc(cc1)-c1ccc(/C=N/NC(=S)N[*:1])o1
Cc1ccc(NC(=S)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1F O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=S)N/N=C/c1ccc(o1)[*:1]
CCc1nn(C)cc1NC(=O)NCc1cccc(C(=O)NC)c1 CNC(=O)[*:1] CCc1nn(C)cc1NC(=O)NCc1cccc(c1)[*:1]
CCc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)N1CCC(CC1)C(=O)[*:1]
CCc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] O=C(c1ccccc1)[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)N1CCC(CC1)[*:1]
CCc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)N1CCC(CC1)C(=O)c1ccccc1
OCC1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)COC1 Fc1ccccc1[*:1] OCC1(C[NH2+][C@@H]2CCCc3nc(sc32)[*:1])COC1
OCC1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)COC1 OCC1(COC1)[*:1] Fc1ccccc1-c1nc2CCC[C@@H]([NH2+]C[*:1])c2s1
CC(C)N(C(=O)CSc1cccc[n+]1[O-])c1ccccc1 CC(C)[*:1] O=C(CSc1cccc[n+]1[O-])N(c1ccccc1)[*:1]
CC(C)N(C(=O)CSc1cccc[n+]1[O-])c1ccccc1 [O-][n+]1ccccc1[*:1] CC(C)N(C(=O)CS[*:1])c1ccccc1
CC(C)N(C(=O)CSc1cccc[n+]1[O-])c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)CSc1cccc[n+]1[O-])[*:1]
CCc1ccccc1OCC(=O)N[C@H](C)c1ccccc1Cl Clc1ccccc1[*:1] CCc1ccccc1OCC(=O)N[C@H](C)[*:1]
Cc1[nH+]cn(C[C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1C c1ccc(cc1)[*:1] Cc1[nH+]cn(C[C@@H](C)[NH2+][C@@H](c2ccc(F)cc2)[*:1])c1C
Cc1[nH+]cn(C[C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] Cc1[nH+]cn(C[C@@H](C)[NH2+][C@@H](c2ccccc2)[*:1])c1C
CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] CNC(=O)C(=O)N/N=C/c1ccc(cc1)O[*:1]
CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CNC(=O)C(=O)N/N=C/c1ccc(cc1)OC[*:1]
CCCC(=O)Nc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 c1ccc(cc1)[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)C(c1ccccc1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 CCCC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])C(c1ccccc1)c1ccccc1
CCCC(=O)Nc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 CCC[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])C(c1ccccc1)c1ccccc1
COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@H]2[*:1]
COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc3c(c2)OCO3)c1 COc1cccc(c1)[*:1] O=C1C[C@@H](C2C(=O)C[C@H](CC=2N1)[*:1])c1ccc2OCOc2c1
CNC(=O)c1cccc(C[S@](=O)[C@H](C)c2ccccc2F)c1 CNC(=O)[*:1] C[C@H](c1ccccc1F)[S@@](=O)Cc1cccc(c1)[*:1]
CNC(=O)c1cccc(C[S@](=O)[C@H](C)c2ccccc2F)c1 Fc1ccccc1[*:1] CNC(=O)c1cccc(c1)C[S@](=O)[C@H](C)[*:1]
Cn1cnnc1CNc1cc(C(F)(F)F)nc2ccccc12 Cn1cnnc1[*:1] FC(F)(F)c1cc(NC[*:1])c2ccccc2n1
Cn1cnnc1CNc1cc(C(F)(F)F)nc2ccccc12 FC(F)(F)[*:1] Cn1cnnc1CNc1cc(nc2ccccc12)[*:1]
Cn1cnnc1CNc1cc(C(F)(F)F)nc2ccccc12 Cn1cnnc1C[*:1] FC(F)(F)c1cc(N[*:1])c2ccccc2n1
Cn1c(N[C@@H]2CCN(c3ccccc3)C2)c(C#N)c(=O)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(N[C@@H]2CCN(C2)[*:1])c(C#N)c(=O)n(C)c1=O
O=C(NCc1cccc(Cn2ccnc2)c1)N1C[C@@H]2CCCC[C@H]2C1 c1cn(cn1)[*:1] O=C(NCc1cccc(c1)C[*:1])N1C[C@@H]2CCCC[C@H]2C1
O=C(NCc1cccc(Cn2ccnc2)c1)N1C[C@@H]2CCCC[C@H]2C1 c1cn(cn1)C[*:1] O=C(NCc1cccc(c1)[*:1])N1C[C@@H]2CCCC[C@H]2C1
FC(F)(F)c1cccc([C@@H]([NH2+]C2CCCC2)c2cccnc2)c1 c1cncc(c1)[*:1] FC(F)(F)c1cccc(c1)[C@@H]([NH2+]C1CCCC1)[*:1]
FC(F)(F)c1cccc([C@@H]([NH2+]C2CCCC2)c2cccnc2)c1 FC(F)(F)[*:1] c1cncc(c1)[C@H]([NH2+]C1CCCC1)c1cccc(c1)[*:1]
COCCNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 COCC[*:1] O=C(N[*:1])c1cccc(c1)N1C(=O)CCS1(=O)=O
COCCNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 COC[*:1] O=C(NC[*:1])c1cccc(c1)N1C(=O)CCS1(=O)=O
COCCNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 COCCNC(=O)[*:1] O=C1CCS(=O)(=O)N1c1cccc(c1)[*:1]
CC[NH+]1CCC(n2nccc2NC(=O)CCC(F)(F)F)CC1 FC(F)(F)CC[*:1] CC[NH+]1CCC(CC1)n1nccc1NC(=O)[*:1]
CC[NH+]1CCC(n2nccc2NC(=O)CCC(F)(F)F)CC1 FC(F)(F)[*:1] CC[NH+]1CCC(CC1)n1nccc1NC(=O)CC[*:1]
CC[NH+]1CCC(n2nccc2NC(=O)CCC(F)(F)F)CC1 FC(F)(F)C[*:1] CC[NH+]1CCC(CC1)n1nccc1NC(=O)C[*:1]
O=C(C#Cc1ccccc1)N1CCC[C@H]2CCC[C@@H]21 c1ccc(cc1)[*:1] O=C(C#C[*:1])N1CCC[C@H]2CCC[C@@H]21
Cc1cc(C)cc(OCCC(=O)NCc2n[nH]c(=S)n2C)c1 Cn1c(n[nH]c1=S)[*:1] Cc1cc(C)cc(c1)OCCC(=O)NC[*:1]
COc1ccc(Nc2c(C(=O)[O-])[nH]c(=O)[nH]c2=O)cc1 O=C([O-])[*:1] COc1ccc(cc1)Nc1c([nH]c(=O)[nH]c1=O)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)[C@@H](C)O[*:1]
CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 CC(=O)N[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CC(C)(C[NH2+]C[C@](C)(O)CO)C(=O)[O-] O=C([O-])[*:1] CC(C)(C[NH2+]C[C@](C)(O)CO)[*:1]
CCCCn1c(N)c(N(C)C(=O)CCc2ccc(C)o2)c(=O)[nH]c1=O Cc1ccc(o1)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C)C(=O)CC[*:1]
CCCCn1c(N)c(N(C)C(=O)CCc2ccc(C)o2)c(=O)[nH]c1=O Cc1ccc(CC[*:1])o1 CCCCn1c(N)c(c(=O)[nH]c1=O)N(C)C(=O)[*:1]
CCCCn1c(N)c(N(C)C(=O)CCc2ccc(C)o2)c(=O)[nH]c1=O CCCC[*:1] Cc1ccc(CCC(=O)N(C)c2c(N)n(c(=O)[nH]c2=O)[*:1])o1
CCCCn1c(N)c(N(C)C(=O)CCc2ccc(C)o2)c(=O)[nH]c1=O CCC[*:1] Cc1ccc(CCC(=O)N(C)c2c(N)n(C[*:1])c(=O)[nH]c2=O)o1
CCCCn1c(N)c(N(C)C(=O)CCc2ccc(C)o2)c(=O)[nH]c1=O Cc1ccc(C[*:1])o1 CCCCn1c(N)c(c(=O)[nH]c1=O)N(C)C(=O)C[*:1]
c1ccc2c(c1)CCN(Cc1ccon1)CC2 c1cc(no1)[*:1] c1ccc2CCN(CCc2c1)C[*:1]
CC(C)[NH+]1CCCN(C(=O)c2cc(C#N)cn2C)CC1 CC(C)[*:1] Cn1cc(C#N)cc1C(=O)N1CCC[NH+](CC1)[*:1]
O=C([C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@H](c1ccccc1)[*:1]
O=C([C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1)N1CCCCC1 c1ccc(cc1)[*:1] O=C([C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)[*:1])N1CCCCC1
C[C@H](CCCO)NC(=O)c1cc(C#N)c[nH]1 OCC[*:1] C[C@H](C[*:1])NC(=O)c1cc(C#N)c[nH]1
C[C@H](CCCO)NC(=O)c1cc(C#N)c[nH]1 OCCC[*:1] C[C@H](NC(=O)c1cc(C#N)c[nH]1)[*:1]
CC1CCN(c2ccc(C(=O)NC[C@H](C)Cn3cc[nH+]c3)cn2)CC1 CC1CCN(CC1)[*:1] C[C@@H](CNC(=O)c1ccc(nc1)[*:1])Cn1cc[nH+]c1
CNS(=O)(=O)CC(=O)Nc1cc(C)cc2cccnc12 CNS(=O)(=O)[*:1] Cc1cc(NC(=O)C[*:1])c2ncccc2c1
CNS(=O)(=O)CC(=O)Nc1cc(C)cc2cccnc12 CNS(=O)(=O)C[*:1] Cc1cc(NC(=O)[*:1])c2ncccc2c1
COCC(=O)N1CC(=O)N(c2ccccc2C#N)C[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] COCC(=O)N1CC(=O)N(C[C@@H]1C[*:1])c1ccccc1C#N
COCC(=O)N1CC(=O)N(c2ccccc2C#N)C[C@@H]1Cc1ccccc1 COC[*:1] N#Cc1ccccc1N1C[C@H](Cc2ccccc2)N(CC1=O)C(=O)[*:1]
COCC(=O)N1CC(=O)N(c2ccccc2C#N)C[C@@H]1Cc1ccccc1 N#Cc1ccccc1[*:1] COCC(=O)N1CC(=O)N(C[C@@H]1Cc1ccccc1)[*:1]
COCC(=O)N1CC(=O)N(c2ccccc2C#N)C[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] COCC(=O)N1CC(=O)N(C[C@H]1[*:1])c1ccccc1C#N
O=C(C[NH2+]Cc1ccccn1)Nc1ccc([N+](=O)[O-])cc1 c1ccc(C[*:1])nc1 O=C(C[NH2+][*:1])Nc1ccc(cc1)[N+](=O)[O-]
O=C(C[NH2+]Cc1ccccn1)Nc1ccc([N+](=O)[O-])cc1 c1ccc(nc1)[*:1] O=C(C[NH2+]C[*:1])Nc1ccc(cc1)[N+](=O)[O-]
O=C(C[NH2+]Cc1ccccn1)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(C[NH2+]Cc1ccccn1)Nc1ccc(cc1)[*:1]
COc1ccc([C@@H](O)[C@H](C)N[C@@H]2CCSc3ccc(F)cc32)cc1 COc1ccc(cc1)[*:1] C[C@H](N[C@@H]1CCSc2ccc(F)cc21)[C@H](O)[*:1]
CC(C)(C)NC(=S)N[C@@H]1CCCc2ccccc21 CC(C)(C)[*:1] S=C(N[C@@H]1CCCc2ccccc21)N[*:1]
CCOC(=O)c1ccc(Nc2ncnc(N(C)C)c2N)cc1 CN(C)[*:1] CCOC(=O)c1ccc(cc1)Nc1ncnc(c1N)[*:1]
CCOC(=O)c1ccc(Nc2ncnc(N(C)C)c2N)cc1 CCOC(=O)[*:1] CN(C)c1ncnc(Nc2ccc(cc2)[*:1])c1N
Cc1nnc(NCc2ccc(OCC(C)C)cc2)c(C#N)c1C CC(C)C[*:1] Cc1nnc(NCc2ccc(cc2)O[*:1])c(C#N)c1C
Cc1nnc(NCc2ccc(OCC(C)C)cc2)c(C#N)c1C CC(C)CO[*:1] Cc1nnc(NCc2ccc(cc2)[*:1])c(C#N)c1C
Cc1nnc(NCc2ccc(OCC(C)C)cc2)c(C#N)c1C CC(C)[*:1] Cc1nnc(NCc2ccc(cc2)OC[*:1])c(C#N)c1C
CNC(=O)c1cccc(NC(=S)NC(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CNC(=O)c1cccc(c1)NC(=S)NC(=O)[*:1]
CNC(=O)c1cccc(NC(=S)NC(=O)Cc2ccccc2)c1 CNC(=O)[*:1] O=C(Cc1ccccc1)NC(=S)Nc1cccc(c1)[*:1]
CNC(=O)c1cccc(NC(=S)NC(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)NC(=S)NC(=O)C[*:1]
CC(C)[C@@H](CCO)NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 OCC[*:1] CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)[*:1]
CC(C)[C@@H](CCO)NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 CC(C)[C@@H](CCO)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)N[*:1]
CC(C)[C@@H](CCO)NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 CC(C)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)N[C@H](CCO)[*:1]
C[C@H](CCl)CS(=O)(=O)N(C1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](CCl)CS(=O)(=O)N(C1CCCCC1)[*:1]
O=C(C[NH+]1CCCCC1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 O=C(Nc1ccccc1)[*:1] O=C(C[NH+]1CCCCC1)Nc1sc2CCCCc2c1[*:1]
O=C(C[NH+]1CCCCC1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 c1ccc(cc1)[*:1] O=C(C[NH+]1CCCCC1)Nc1sc2CCCCc2c1C(=O)N[*:1]
O=C1[C@H]2CC[C@H](CN(c3nc4ccccc4cc3CO)C2)N1CC1CCC1 C1CC(C1)[*:1] O=C1[C@H]2CC[C@H](CN(C2)c2nc3ccccc3cc2CO)N1C[*:1]
O=C1[C@H]2CC[C@H](CN(c3nc4ccccc4cc3CO)C2)N1CC1CCC1 C1CC(C1)C[*:1] O=C1[C@H]2CC[C@H](CN(C2)c2nc3ccccc3cc2CO)N1[*:1]
COc1cccc(C(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1OC O=[N+]([O-])c1ccccc1[*:1] COc1cccc(C(=O)N2CCN(CC2)C[*:1])c1OC
COc1cccc(C(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1OC O=[N+]([O-])[*:1] COc1cccc(C(=O)N2CCN(CC2)Cc2ccccc2[*:1])c1OC
COc1ccc(F)c(NC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c1 C1CC1[*:1] COc1ccc(F)c(c1)NC(=O)N(Cc1ccc(o1)[C@@H]1C[C@H]1C)[*:1]
O=C(NCc1ccc([N+]2=CCCC2)cc1)N1CCCC[C@H]1C1OCCO1 C1COC(O1)[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)N1CCCC[C@@H]1[*:1]
CCNC(=O)c1cccc(NC(=O)CN(C)c2ccccc2)c1 c1ccc(cc1)[*:1] CCNC(=O)c1cccc(c1)NC(=O)CN(C)[*:1]
CCNC(=O)c1cccc(NC(=O)CN(C)c2ccccc2)c1 CCNC(=O)[*:1] CN(CC(=O)Nc1cccc(c1)[*:1])c1ccccc1
C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccccc1C#N c1ccc(cc1)[*:1] C[C@@H](Sc1ncc(n1C)[*:1])C(=O)Nc1ccccc1C#N
C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccccc1C#N N#Cc1ccccc1[*:1] C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N[*:1]
NC1=Nc2nc3ccccc3n2[C@H](c2csnn2)N1 c1snnc1[*:1] NC1=Nc2nc3ccccc3n2[C@H](N1)[*:1]
CC[C@@](C)([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)[O-])CC1 CC[C@@](C)([NH3+])[*:1] C[C@H](C(=O)[O-])[NH+]1CCN(CC1)C(=O)[*:1]
CC[C@@](C)([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)[O-])CC1 C[C@H](C(=O)[O-])[*:1] CC[C@@](C)([NH3+])C(=O)N1CC[NH+](CC1)[*:1]
CC[C@@](C)([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)[O-])CC1 O=C([O-])[*:1] CC[C@@](C)([NH3+])C(=O)N1CC[NH+](CC1)[C@H](C)[*:1]
Cc1cc(C)c(NC(=S)N(CCc2ccccc2)C2CC[NH+](C)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] C[NH+]1CCC(CC1)N(CCc1ccccc1)C(=S)N[*:1]
Cc1cc(C)c(NC(=S)N(CCc2ccccc2)C2CC[NH+](C)CC2)c(C)c1 c1ccc(cc1)CC[*:1] Cc1cc(C)c(NC(=S)N(C2CC[NH+](C)CC2)[*:1])c(C)c1
Cc1cc(C)c(NC(=S)N(CCc2ccccc2)C2CC[NH+](C)CC2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=S)N(CC[*:1])C2CC[NH+](C)CC2)c(C)c1
Cc1cc(C)c(NC(=S)N(CCc2ccccc2)C2CC[NH+](C)CC2)c(C)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(NC(=S)N(C[*:1])C2CC[NH+](C)CC2)c(C)c1
CCCCN(CC)C(=O)N[C@@H]1CCC[C@@H]1SC CCC[*:1] CCN(C[*:1])C(=O)N[C@@H]1CCC[C@@H]1SC
CCCCN(CC)C(=O)N[C@@H]1CCC[C@@H]1SC CCCC[*:1] CCN(C(=O)N[C@@H]1CCC[C@@H]1SC)[*:1]
CCOc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(c3ccc4c(c3)OCO4)C1)O[C@H](C)C2 c1cc2OCOc2cc1[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(c3ccc4c(c3)OCO4)C1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)NC(=O)[C@@H]1CC(=O)N(C1)c1ccc2OCOc2c1)[*:1]
CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3[C@H](C)CC)CC2=O)cc1 CC[C@@H](C)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3[C@H](C)CC)CC2=O)cc1 CCc1ccc(cc1)[*:1] CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2CO)cc1 CC(C)C[*:1] OC[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(cc1)[*:1]
CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2CO)cc1 CC(C)[*:1] OC[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(cc1)C[*:1]
CC(C)(C)OC(=O)N1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCN(CC1)CN1C(=O)NC2(CCCCC2)C1=O
COc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CNC(=O)c1cnn2c1N[C@H](C[C@@H]2[*:1])c1ccco1
COc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 c1coc(c1)[*:1] COc1ccc(cc1)CNC(=O)c1cnn2c1N[C@@H](C[C@H]2C(F)(F)F)[*:1]
COc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)c1ccco1
COc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)c1ccco1
CC[NH2+][C@H](Cc1ccc(OC)nc1)Cc1ccnc(N)c1 Nc1cc(ccn1)[*:1] CC[NH2+][C@H](Cc1ccc(nc1)OC)C[*:1]
CC(C)c1nnsc1CNC(=O)c1nc2ccccn2c1F CC(C)[*:1] O=C(NCc1snnc1[*:1])c1nc2ccccn2c1F
C=C(C)n1c(=O)n(C[C@@H]2CC2(Cl)Cl)c2cc(C)c(C)cc21 C=C(C)[*:1] Cc1cc2c(cc1C)n(c(=O)n2C[C@@H]1CC1(Cl)Cl)[*:1]
O=C(NCc1cccc(Br)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 Brc1cccc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1
O=C(NCc1cccc(Br)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1cccc(Br)c1)[C@H]1CCCCN1S(=O)(=O)[*:1]
O=C(NCc1cccc(Br)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 Brc1cccc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1
Nn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2ccccc2c1=O FC(F)[*:1] Nn1c(nc2ccccc2c1=O)SCC(=O)Nc1ccccc1O[*:1]
Nn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2ccccc2c1=O FC(F)O[*:1] Nn1c(nc2ccccc2c1=O)SCC(=O)Nc1ccccc1[*:1]
CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 CC(C)(C)[*:1] c1ccc(cc1)-n1cc(C[NH+]2CCC(CC2)n2cc[nH+]c2)c(n1)[*:1]
CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 c1ccc(cc1)[*:1] CC(C)(C)c1nn(cc1C[NH+]1CCC(CC1)n1cc[nH+]c1)[*:1]
CN(Cc1ccco1)c1nc(Cl)ncc1F c1coc(c1)[*:1] CN(C[*:1])c1nc(Cl)ncc1F
Cc1cnn(-c2ccc([C@H](C)NC(=O)NCCCO)cc2F)c1 OCCC[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@H](C)NC(=O)N[*:1]
Cc1cnn(-c2ccc([C@H](C)NC(=O)NCCCO)cc2F)c1 OCC[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@H](C)NC(=O)NC[*:1]
Cc1cnn(-c2ccc([C@H](C)NC(=O)NCCCO)cc2F)c1 Cc1cnn(c1)[*:1] C[C@H](NC(=O)NCCCO)c1ccc(c(F)c1)[*:1]
CCOc1cccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc32)c1OC c1cc2OCOc2cc1[*:1] CCOc1cccc(/C=C2/C(=O)N(C[*:1])C(=O)c3ccccc32)c1OC
CCOc1cccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc32)c1OC c1cc2OCOc2cc1C[*:1] CCOc1cccc(/C=C2/C(=O)N(C(=O)c3ccccc32)[*:1])c1OC
CCOc1cccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc32)c1OC CCO[*:1] COc1c(/C=C2/C(=O)N(Cc3ccc4OCOc4c3)C(=O)c3ccccc32)cccc1[*:1]
CCOc1cccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc32)c1OC CCOc1cccc(c1OC)[*:1] O=C1C(=C[*:1])c2ccccc2C(=O)N1Cc1ccc2OCOc2c1
O=C(CCc1nc2ccccc2c(=O)[nH]1)OC1CCCC1 C1CCC(C1)[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)O[*:1]
O=c1c2sccc2ncn1Cc1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] O=c1c2sccc2ncn1Cc1csc(n1)[*:1]
CC(C)(C)C(=O)Nc1ccc(-n2cccc(C(=O)NCc3ccccc3F)c2=O)cc1 CC(C)(C)[*:1] O=C(NCc1ccccc1F)c1cccn(-c2ccc(cc2)NC(=O)[*:1])c1=O
CC(C)(C)C(=O)Nc1ccc(-n2cccc(C(=O)NCc3ccccc3F)c2=O)cc1 CC(C)(C)C(=O)N[*:1] O=C(NCc1ccccc1F)c1cccn(-c2ccc(cc2)[*:1])c1=O
CC(C)(C)C(=O)Nc1ccc(-n2cccc(C(=O)NCc3ccccc3F)c2=O)cc1 Fc1ccccc1C[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)-n1cccc(C(=O)N[*:1])c1=O
CC(C)(C)C(=O)Nc1ccc(-n2cccc(C(=O)NCc3ccccc3F)c2=O)cc1 Fc1ccccc1[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)-n1cccc(C(=O)NC[*:1])c1=O
CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CSc1ccc(cc1[*:1])S(=O)(=O)Nc1c(C)cccc1C
CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C(=O)N1CCCC1 Cc1cccc(C)c1[*:1] CSc1ccc(cc1C(=O)N1CCCC1)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN(Cc3ccccc3)c3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NN(Cc1ccccc1)c1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN(Cc3ccccc3)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NN(Cc1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN(Cc3ccccc3)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NN(C[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN(Cc3ccccc3)c3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NN(c1ccccc1)[*:1]
C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)c2ccccc2Cl)C1=O c1coc(c1)[*:1] C[C@]1(NC(=O)N(C[C@@H](O)c2ccccc2Cl)C1=O)[*:1]
C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)c2ccccc2Cl)C1=O Clc1ccccc1[*:1] C[C@]1(NC(=O)N(C[C@@H](O)[*:1])C1=O)c1ccco1
O=C(Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1)Nc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)N[*:1]
C[C@H]1CN(C[C@@H]2CN(c3nc(N)nc4[nH]cnc34)C[C@@H]2CO)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)[*:1] Nc1nc(c2nc[nH]c2n1)N1C[C@H](CO)[C@@H](C1)C[*:1]
Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)Cc3ccccc3O)CC2)on1 Oc1ccccc1C[*:1] Cc1cc(on1)-c1cnc(nc1C1CCN(CC1)C(=O)[*:1])NC1CC1
Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)Cc3ccccc3O)CC2)on1 C1CC1[*:1] Cc1cc(on1)-c1cnc(nc1C1CCN(CC1)C(=O)Cc1ccccc1O)N[*:1]
Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)Cc3ccccc3O)CC2)on1 C1CC1N[*:1] Cc1cc(on1)-c1cnc(nc1C1CCN(CC1)C(=O)Cc1ccccc1O)[*:1]
Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)Cc3ccccc3O)CC2)on1 Oc1ccccc1[*:1] Cc1cc(on1)-c1cnc(nc1C1CCN(CC1)C(=O)C[*:1])NC1CC1
Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)Cc3ccccc3O)CC2)on1 Cc1cc(on1)[*:1] O=C(Cc1ccccc1O)N1CCC(CC1)c1nc(ncc1[*:1])NC1CC1
COc1ccccc1N1C(=O)N(CC(=O)C(C)(C)C)c2ccccc2S1(=O)=O COc1ccccc1[*:1] CC(C)(C)C(=O)CN1C(=O)N(S(=O)(=O)c2ccccc21)[*:1]
COc1ccccc1N1C(=O)N(CC(=O)C(C)(C)C)c2ccccc2S1(=O)=O CC(C)(C)C(=O)[*:1] COc1ccccc1N1C(=O)N(C[*:1])c2ccccc2S1(=O)=O
COc1ccccc1N1C(=O)N(CC(=O)C(C)(C)C)c2ccccc2S1(=O)=O CC(C)(C)C(=O)C[*:1] COc1ccccc1N1C(=O)N(c2ccccc2S1(=O)=O)[*:1]
COc1ccccc1N1C(=O)N(CC(=O)C(C)(C)C)c2ccccc2S1(=O)=O CC(C)(C)[*:1] COc1ccccc1N1C(=O)N(CC(=O)[*:1])c2ccccc2S1(=O)=O
CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@H]1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@H]1C)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@H]1C)c1ccc(Cl)cc1 CC(=O)N[*:1] C[C@@H]1CN(C)CCN1C(=O)C[C@@H](c1ccc(Cl)cc1)[*:1]
CSc1ccccc1NC(=O)N1CCN(C)[C@@]2(CCNC(=O)CC2)C1 CSc1ccccc1[*:1] CN1CCN(C[C@]12CCNC(=O)CC2)C(=O)N[*:1]
COC(=O)CSc1nc([O-])c2cnn(-c3cccc(Cl)c3)c2n1 COC(=O)C[*:1] [O-]c1nc(nc2c1cnn2-c1cccc(Cl)c1)S[*:1]
COC(=O)CSc1nc([O-])c2cnn(-c3cccc(Cl)c3)c2n1 COC(=O)CS[*:1] [O-]c1nc(nc2c1cnn2-c1cccc(Cl)c1)[*:1]
COC(=O)CSc1nc([O-])c2cnn(-c3cccc(Cl)c3)c2n1 Clc1cccc(c1)[*:1] COC(=O)CSc1nc([O-])c2cnn(c2n1)[*:1]
COC(=O)CSc1nc([O-])c2cnn(-c3cccc(Cl)c3)c2n1 COC(=O)[*:1] [O-]c1nc(nc2c1cnn2-c1cccc(Cl)c1)SC[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC#N c1ccc(cc1)[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])ccc1OCC#N
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC#N N#CC[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1O[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC#N N#CCO[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1[*:1]
Cc1c(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cccc1[N+](=O)[O-] CC(C)NC(=O)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1cc(ccc1Cl)[*:1]
Cc1c(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1cc(ccc1Cl)C(=O)NC(C)C
Cc1c(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cccc1[N+](=O)[O-] CC(C)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1cc(ccc1Cl)C(=O)N[*:1]
Cc1n[nH]c(C(c2ccccc2)c2ccccc2)c1C(=O)NN c1ccc(cc1)[*:1] Cc1n[nH]c(c1C(=O)NN)C(c1ccccc1)[*:1]
Cc1n[nH]c(C(c2ccccc2)c2ccccc2)c1C(=O)NN NNC(=O)[*:1] Cc1n[nH]c(c1[*:1])C(c1ccccc1)c1ccccc1
COc1ccc(-c2cc(C(=O)NCCc3ccccc3)no2)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)-c1cc(no1)C(=O)N[*:1]
COc1ccc(-c2cc(C(=O)NCCc3ccccc3)no2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(no1)C(=O)NCC[*:1]
COc1ccc(-c2cc(C(=O)NCCc3ccccc3)no2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1cc(no1)C(=O)NC[*:1]
COc1ccc(-c2cc(C(=O)NCCc3ccccc3)no2)cc1 COc1ccc(cc1)[*:1] O=C(NCCc1ccccc1)c1cc(on1)[*:1]
O=C1N(Cc2cccc(C(F)(F)F)c2)c2ccccc2[C@]1(O)Cc1ccncc1 FC(F)(F)[*:1] O=C1N(Cc2cccc(c2)[*:1])c2ccccc2[C@]1(O)Cc1ccncc1
O=C1N(Cc2cccc(C(F)(F)F)c2)c2ccccc2[C@]1(O)Cc1ccncc1 c1cc(ccn1)[*:1] O=C1N(Cc2cccc(c2)C(F)(F)F)c2ccccc2[C@]1(O)C[*:1]
O=C1N(Cc2cccc(C(F)(F)F)c2)c2ccccc2[C@]1(O)Cc1ccncc1 c1cc(ccn1)C[*:1] O=C1N(Cc2cccc(c2)C(F)(F)F)c2ccccc2[C@@]1(O)[*:1]
O=C(CCc1cccc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1cccc2ccccc12)[*:1]
O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@@H](c1ccccc1)C1CCCC1 c1cncc(c1)[*:1] O=C(NCCc1nc(n[nH]1)[*:1])[C@@H](c1ccccc1)C1CCCC1
O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@@H](c1ccccc1)C1CCCC1 C1CCC(C1)[*:1] O=C(NCCc1nc(n[nH]1)-c1cccnc1)[C@@H](c1ccccc1)[*:1]
O=C(NCCc1nc(-c2cccnc2)n[nH]1)[C@@H](c1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] O=C(NCCc1nc(n[nH]1)-c1cccnc1)[C@@H](C1CCCC1)[*:1]
Cc1cc(C)n([C@@H]2CCN(C(=O)CN3CCc4ccccc43)C2)n1 Cc1cc(C)n(n1)[*:1] O=C(CN1CCc2ccccc21)N1CC[C@H](C1)[*:1]
CC(C)Oc1ccc2c(C(=O)NCC3(N4CC[NH+](C)CC4)CCCCC3)cc(=O)oc2c1 CC(C)[*:1] C[NH+]1CCN(CC1)C1(CCCCC1)CNC(=O)c1cc(=O)oc2cc(ccc12)O[*:1]
CC(C)Oc1ccc2c(C(=O)NCC3(N4CC[NH+](C)CC4)CCCCC3)cc(=O)oc2c1 CC(C)O[*:1] C[NH+]1CCN(CC1)C1(CCCCC1)CNC(=O)c1cc(=O)oc2cc(ccc12)[*:1]
CCOc1cccc([C@@H](C)NC(=O)Nc2cccc(N(C)C(C)=O)c2)c1 CC(=O)N(C)[*:1] CCOc1cccc(c1)[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
CCOc1cccc([C@@H](C)NC(=O)Nc2cccc(N(C)C(C)=O)c2)c1 CCO[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N[C@H](C)c1cccc(c1)[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H](C)OCC2CC2)c1 Cc1cnn(c1)C[*:1] C[C@@H](OCC1CC1)C(=O)N1CCC[C@H]1[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H](C)OCC2CC2)c1 C[C@@H](OCC1CC1)[*:1] Cc1cnn(c1)C[C@@H]1CCCN1C(=O)[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H](C)OCC2CC2)c1 C1CC1CO[*:1] Cc1cnn(c1)C[C@@H]1CCCN1C(=O)[C@@H](C)[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H](C)OCC2CC2)c1 C1CC1C[*:1] Cc1cnn(c1)C[C@@H]1CCCN1C(=O)[C@@H](C)O[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H](C)OCC2CC2)c1 C1CC1[*:1] Cc1cnn(c1)C[C@@H]1CCCN1C(=O)[C@@H](C)OC[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H](C)OCC2CC2)c1 Cc1cnn(c1)[*:1] C[C@@H](OCC1CC1)C(=O)N1CCC[C@H]1C[*:1]
CCn1ncc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C CCn1ncc(c1C)[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2[*:1]
CC[C@@H](C(=O)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCN(CC1)Cc1cc(=O)n2ccccc2n1)[*:1]
CC[C@@H](C(=O)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1)c1ccccc1 CC[C@@H](c1ccccc1)[*:1] O=C(N1CCN(CC1)Cc1cc(=O)n2ccccc2n1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)cc1 CC(=O)Nc1ccc(cc1)[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)N[*:1])[C@@H]1c1ccccc1
CC(=O)Nc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)cc1 CC(=O)N[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(cc2)[*:1])[C@@H]1c1ccccc1
CC(=O)Nc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1[*:1]
O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1ccc(Cl)c(c1)S(=O)(=O)N1CCN(CC1)[*:1]
O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 O=C(Nc1ccccc1)[*:1] O=S(=O)(c1cc(ccc1Cl)[*:1])N1CCN(CC1)c1ccc(F)cc1
CCc1noc(C)c1C(=O)NCC1(C(N)=O)CCOCC1 NC(=O)[*:1] CCc1noc(C)c1C(=O)NCC1(CCOCC1)[*:1]
CCCOc1ccccc1OCC(=O)N[C@H]1CCOc2ccccc21 CCC[*:1] O=C(COc1ccccc1O[*:1])N[C@H]1CCOc2ccccc21
CCCOc1ccccc1OCC(=O)N[C@H]1CCOc2ccccc21 CCCO[*:1] O=C(COc1ccccc1[*:1])N[C@H]1CCOc2ccccc21
CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nnc(C)o2)c1 Cc1nnc(o1)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nnc(C)o2)c1 CCC[*:1] Cc1nnc(o1)-c1cccc(c1)NC(=O)C(=O)N[C@H]1C[C@H]1[*:1]
O=C(Nc1ccc(F)cc1OC(F)F)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] O=C(Nc1ccc(F)cc1OC(F)F)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
O=C(Nc1ccc(F)cc1OC(F)F)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 FC(F)O[*:1] O=C(Nc1ccc(F)cc1[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)C1CC1
O=C(Nc1ccc(F)cc1OC(F)F)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 FC(F)[*:1] O=C(Nc1ccc(F)cc1O[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)C1CC1
Cc1cc(N)cc(C)c1S(=O)(=O)N(C)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)N(C)[*:1]
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 NS(=O)(=O)[*:1] Cc1cccc(c1)-c1nn(cc1C(=O)Nc1ccc(cc1)[*:1])-c1ccc(F)cc1
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 Cc1cccc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)c1cn(nc1[*:1])-c1ccc(F)cc1
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 NS(=O)(=O)c1ccc(cc1)[*:1] Cc1cccc(c1)-c1nn(cc1C(=O)N[*:1])-c1ccc(F)cc1
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)-c1nn(cc1C(=O)Nc1ccc(cc1)S(N)(=O)=O)[*:1]
Cc1oc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C Clc1ccc(cc1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)N[*:1]
Cc1oc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)Nc1ccc(Cl)cc1
O=C(Cc1ccc(F)c(F)c1)NC[C@@H]1C[C@]12CCc1ccccc12 Fc1ccc(cc1F)[*:1] O=C(C[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
CC(C)CCc1noc(CS(=O)(=O)[C@@H](C)c2ccc(Cl)cc2Cl)n1 CC(C)[*:1] C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)Cc1nc(CC[*:1])no1
CC(C)CCc1noc(CS(=O)(=O)[C@@H](C)c2ccc(Cl)cc2Cl)n1 Clc1ccc(c(Cl)c1)[*:1] CC(C)CCc1noc(CS(=O)(=O)[C@@H](C)[*:1])n1
CC(C)CCc1noc(CS(=O)(=O)[C@@H](C)c2ccc(Cl)cc2Cl)n1 CC(C)CC[*:1] C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)Cc1nc(no1)[*:1]
CC(C)CCc1noc(CS(=O)(=O)[C@@H](C)c2ccc(Cl)cc2Cl)n1 CC(C)C[*:1] C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)Cc1nc(C[*:1])no1
O=C([O-])C1([NH+]2CCOCC2)CCC1 O=C([O-])[*:1] C1CC(C1)([NH+]1CCOCC1)[*:1]
CC(C)c1ocnc1C[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 CC(C)[*:1] C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CC1)Cc1ncoc1[*:1]
CC(C)c1ocnc1C[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)c1ocnc1C[NH+]1CCN(CC1)[C@@H](C)C(=O)N[*:1]
Cc1cc(=O)n(Cc2ccsc2C(=O)NN)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(=O)n(cc1[*:1])Cc1ccsc1C(=O)NN
Cc1cc(=O)n(Cc2ccsc2C(=O)NN)cc1[N+](=O)[O-] NNC(=O)[*:1] Cc1cc(=O)n(cc1[N+](=O)[O-])Cc1ccsc1[*:1]
CCc1ccsc1CNC(=O)NC[C@@H](C)c1ccsc1 c1cc(cs1)[*:1] CCc1ccsc1CNC(=O)NC[C@@H](C)[*:1]
C[C@@H](NC(=O)CN1CCO[C@H]2CCCC[C@@H]21)C1CC1 C[C@@H](C1CC1)[*:1] O=C(CN1CCO[C@H]2CCCC[C@@H]21)N[*:1]
C[C@@H](NC(=O)CN1CCO[C@H]2CCCC[C@@H]21)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)CN1CCO[C@H]2CCCC[C@@H]21)[*:1]
C[C@@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)C1 O=[N+]([O-])[*:1] C[C@@H]1CCCN(C1)Cn1cc(cn1)[*:1]
COc1ccc(C)cc1N1CCN(C(=O)c2ccc(C)cc2)[C@H](C)C1=O Cc1ccc(cc1)[*:1] COc1ccc(C)cc1N1CCN(C(=O)[*:1])[C@H](C)C1=O
C[C@H]1CN(C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(CCN1C(=O)O[*:1])C(=O)c1c[nH]c2cccc(F)c12
CC(C)CCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 CC(C)[*:1] O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC[*:1]
CC(C)CCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 CC(C)CC[*:1] O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[*:1]
CC(C)CCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 CC(C)C[*:1] O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC[*:1]
C#Cc1cc(F)c(NC(=O)NC[C@H](C(C)C)N2CCOCC2)c(F)c1 CC(C)[*:1] C#Cc1cc(F)c(NC(=O)NC[C@H](N2CCOCC2)[*:1])c(F)c1
C#Cc1cc(F)c(NC(=O)NC[C@H](C(C)C)N2CCOCC2)c(F)c1 C1CN(CCO1)[*:1] C#Cc1cc(F)c(NC(=O)NC[C@H](C(C)C)[*:1])c(F)c1
CCN(C(=O)Nc1ccc([S@](C)=O)c(F)c1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)Nc1ccc(c(F)c1)[S@](C)=O)[*:1]
CCN(C(=O)Nc1ccc([S@](C)=O)c(F)c1)[C@@H]1CCS(=O)(=O)C1 C[S@](=O)[*:1] CCN(C(=O)Nc1ccc(c(F)c1)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(Nc1cccs1)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 c1csc(c1)[*:1] O=C(N[*:1])N1CCO[C@@H](C1)c1cc(Cl)cc(Cl)c1
O=C(c1cc[nH]n1)N1CCc2nc(-c3cccc(F)c3)sc2C1 Fc1cccc(c1)[*:1] O=C(c1cc[nH]n1)N1CCc2nc(sc2C1)[*:1]
O=C(c1cc[nH]n1)N1CCc2nc(-c3cccc(F)c3)sc2C1 c1cc(n[nH]1)[*:1] O=C(N1CCc2nc(sc2C1)-c1cccc(F)c1)[*:1]
CCOC(=O)c1sc2ncnc(NCC(C)(C)N3C[C@H](C)O[C@H](C)C3)c2c1C CCOC(=O)[*:1] Cc1c(sc2ncnc(NCC(C)(C)N3C[C@H](C)O[C@H](C)C3)c12)[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(cc1)C[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 COc1ccccc1[*:1] O=C1CCCN1Cc1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
CC1(C)C(CN2CCC(=O)N[C@@H](C3CC3)C2=O)C1(C)C C1CC1[*:1] CC1(C)C(CN2CCC(=O)N[C@@H](C2=O)[*:1])C1(C)C
O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2c([nH]c1=O)CCCC2 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2CCCCc2[nH]c1=O
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NC[C@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] O=C(Cn1cnc2sc(cc2c1=O)-c1ccccc1)NC[C@H]([NH+]1CCCC1)[*:1]
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NC[C@H](c1ccco1)[NH+]1CCCC1 c1ccc(cc1)[*:1] O=C(Cn1cnc2sc(cc2c1=O)[*:1])NC[C@H](c1ccco1)[NH+]1CCCC1
CCCN(CC[NH+](C)C)Cc1cc(N)cc[nH+]1 C[NH+](C)CC[*:1] CCCN(Cc1cc(N)cc[nH+]1)[*:1]
CCCN(CC[NH+](C)C)Cc1cc(N)cc[nH+]1 CCC[*:1] C[NH+](C)CCN(Cc1cc(N)cc[nH+]1)[*:1]
O=C(Cc1ccc[nH]1)NCc1cccc2ccccc12 c1c[nH]c(c1)[*:1] O=C(C[*:1])NCc1cccc2ccccc12
O=C(Cc1ccc[nH]1)NCc1cccc2ccccc12 c1c[nH]c(c1)C[*:1] O=C(NCc1cccc2ccccc12)[*:1]
O=C(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)N[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccoc1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccoc1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccoc1)C1CCCCC1 c1cc(co1)[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])C1CCCCC1
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1O Oc1cc(F)ccc1[*:1] CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1O CCN(CC)S(=O)(=O)[*:1] O=C(c1ccc(F)cc1O)N1CCc2cc(ccc21)[*:1]
CC(=O)Nc1ccc(C)c(N[C@@H](C)c2nnc(-c3ccccc3)o2)c1 CC(=O)N[*:1] Cc1ccc(cc1N[C@@H](C)c1nnc(o1)-c1ccccc1)[*:1]
CC(=O)Nc1ccc(C)c(N[C@@H](C)c2nnc(-c3ccccc3)o2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(C)c(c1)N[C@@H](C)c1nnc(o1)[*:1]
CC(=O)c1ccccc1OCCN(C)Cc1nc2ccccc2c(=O)[nH]1 CC(=O)[*:1] CN(CCOc1ccccc1[*:1])Cc1nc2ccccc2c(=O)[nH]1
C[NH+]1CCC(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3F)CC2)CC1 Fc1ccc(c(F)c1)[*:1] C[NH+]1CCC(CC1)N1CCN(CC1)Cc1c[nH]nc1[*:1]
COc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCC1)C(=O)N[*:1]
COc1cc2nnc3c(c(C)nn3Cc3ccccc3)c2cc1OC c1ccc(cc1)C[*:1] COc1cc2nnc3c(c(C)nn3[*:1])c2cc1OC
COc1cc2nnc3c(c(C)nn3Cc3ccccc3)c2cc1OC c1ccc(cc1)[*:1] COc1cc2nnc3c(c(C)nn3C[*:1])c2cc1OC
Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1ccc(cc1)C(F)(F)F
Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1ccc(=O)n(CC(=O)Nc2ccc(cc2)[*:1])n1
Cc1ccc(C[C@H]([NH3+])c2cc(C(F)(F)F)ccc2F)cc1 Cc1ccc(cc1)[*:1] [NH3+][C@@H](C[*:1])c1cc(ccc1F)C(F)(F)F
Cc1ccc(C[C@H]([NH3+])c2cc(C(F)(F)F)ccc2F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C[C@H]([NH3+])c1cc(ccc1F)[*:1]
COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] COc1nc2ccccc2nc1N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)sc2nc3n(c(=O)c12)CCCCC3 c1ccc(cc1)[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)NC[C@@H]([NH+](C)C)[*:1]
COCC(=O)N1CCC[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 NC(=O)[*:1] COCC(=O)N1CCC[C@H](C1)c1cccc(n1)-c1ccc(cc1)[*:1]
COCC(=O)N1CCC[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 COC[*:1] NC(=O)c1ccc(cc1)-c1cccc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 Cc1ccc(cc1)[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)CCS(=O)(=O)[*:1]
Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 c1ccc(cc1)C[*:1] Cc1ncsc1CN(C(=O)[C@H]1CCC(=O)N(C1)C1CC1)[*:1]
Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 Cc1ncsc1C[*:1] O=C1CC[C@@H](CN1C1CC1)C(=O)N(Cc1ccccc1)[*:1]
Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 c1ccc(cc1)[*:1] Cc1ncsc1CN(C[*:1])C(=O)[C@H]1CCC(=O)N(C1)C1CC1
Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 Cc1ncsc1[*:1] O=C([C@H]1CCC(=O)N(C1)C1CC1)N(Cc1ccccc1)C[*:1]
Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 C1CC1[*:1] Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N(C1)[*:1]
Cc1cccc(-n2nc3c(c2NC(=O)C(c2ccccc2)c2ccccc2)C[S@](=O)C3)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)-n1nc2C[S@@](=O)Cc2c1NC(=O)C(c1ccccc1)[*:1]
Cc1cccc(-n2nc3c(c2NC(=O)C(c2ccccc2)c2ccccc2)C[S@](=O)C3)c1C Cc1cccc(c1C)[*:1] O=C(Nc1c2C[S@](=O)Cc2nn1[*:1])C(c1ccccc1)c1ccccc1
CCOC(=O)c1cc2c(cc1Cl)OCCO2 CCOC(=O)[*:1] Clc1cc2OCCOc2cc1[*:1]
COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)CCCO3)C1 COC[*:1] O=C(c1ccc2OCCCc2c1)N1CCC[C@](C1)(C[*:1])C(=O)[O-]
COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)CCCO3)C1 O=C([O-])[*:1] COCC[C@@]1(CCCN(C1)C(=O)c1ccc2OCCCc2c1)[*:1]
COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)CCCO3)C1 COCC[*:1] O=C(c1ccc2OCCCc2c1)N1CCC[C@](C1)(C(=O)[O-])[*:1]
CC(C)OCc1c(C(=O)Nc2ccc3c(c2)CCO3)oc2ccccc12 CC(C)[*:1] O=C(Nc1ccc2OCCc2c1)c1oc2ccccc2c1CO[*:1]
CC(C)OCc1c(C(=O)Nc2ccc3c(c2)CCO3)oc2ccccc12 CC(C)O[*:1] O=C(Nc1ccc2OCCc2c1)c1oc2ccccc2c1C[*:1]
CC(C)OCc1c(C(=O)Nc2ccc3c(c2)CCO3)oc2ccccc12 CC(C)OC[*:1] O=C(Nc1ccc2OCCc2c1)c1oc2ccccc2c1[*:1]
C[C@@H](NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] C[C@@H](NC(=O)CN1CCc2cc(ccc21)S(N)(=O)=O)[*:1]
C[C@@H](NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21)c1cc2ccccc2o1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)CN1CCc2cc(ccc21)[*:1])c1cc2ccccc2o1
CC(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(C)C CC(C)[*:1] CC(C)N(C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(C)C O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)N(C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1])C(C)C
CC(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(C)C O=[N+]([O-])[*:1] CC(C)N(C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(cc1)[*:1])C(C)C
CC(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(C)C CC(C)N(C(=O)[*:1])C(C)C C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H]1CCC[C@H]1O ClCC[*:1] Cc1nn(c(C)c1C(=O)NC[C@H]1CCC[C@H]1O)[*:1]
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H]1CCC[C@H]1O O[C@@H]1CCC[C@@H]1[*:1] Cc1nn(CCCl)c(C)c1C(=O)NC[*:1]
CCOc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N)n1 CCO[*:1] Nc1nc(cc(n1)-c1ccccc1[*:1])-c1ccc(Br)cc1
CCOc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N)n1 Brc1ccc(cc1)[*:1] CCOc1ccccc1-c1cc(nc(N)n1)[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2Cl)cc1C Clc1ccccc1[*:1] Cc1ccc(cc1C)S(=O)(=O)[C@@H](C)C(=O)N[*:1]
COC(=O)c1cc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)ccn1 COC(=O)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1ccnc(c1)[*:1]
COc1ccc(Cl)cc1C(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] COc1ccc(Cl)cc1C(=O)N(C)CC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(Cl)cc1C(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(Cl)cc1C(=O)N(C)CC(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(Cl)cc1C(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 COc1ccc(Cl)cc1[*:1] CN(CC(=O)Nc1ccc(cc1)OC(F)(F)F)C(=O)[*:1]
CCCn1c(S[C@H](C)C#N)nc2cc(Cl)ccc21 C[C@H](C#N)S[*:1] CCCn1c(nc2cc(Cl)ccc21)[*:1]
CCCn1c(S[C@H](C)C#N)nc2cc(Cl)ccc21 C[C@H](C#N)[*:1] CCCn1c(nc2cc(Cl)ccc21)S[*:1]
CCCn1c(S[C@H](C)C#N)nc2cc(Cl)ccc21 CCC[*:1] C[C@H](C#N)Sc1nc2cc(Cl)ccc2n1[*:1]
Cc1ccccc1C(=O)NC(=S)Nc1ccc(C)c([N+](=O)[O-])c1 Cc1ccccc1[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=S)NC(=O)[*:1]
Cc1ccccc1C(=O)NC(=S)Nc1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccccc1C(=O)NC(=S)Nc1ccc(C)c(c1)[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CCCCC[C@@H]1CC(C)C CC(C)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CCCCC[C@@H]1C[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CCCCC[C@@H]1CC(C)C CC(C)C[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CCCCC[C@H]1[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CCCCC[C@@H]1CC(C)C Cc1n[nH]c(C)c1[*:1] CC(C)C[C@H]1CCCCCN1C(=O)[C@@H](C)C[*:1]
COc1ccc(NC(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)cc1 CC(=O)N[*:1] COc1ccc(cc1)NC(=O)NCCNC(=O)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)NCCNC(=O)N[*:1]
CCC(=O)Nc1cc(NC(C)=O)ccc1C CC(=O)N[*:1] CCC(=O)Nc1cc(ccc1C)[*:1]
CCC(=O)Nc1cc(NC(C)=O)ccc1C CCC(=O)N[*:1] CC(=O)Nc1ccc(C)c(c1)[*:1]
CC(C)(C)OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O CC(C)(C)[*:1] CC(C)(C)OC(=O)[C@@H]1CN(C[C@@H]1O)C(=O)O[*:1]
CC(C)(C)OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O CC(C)(C)[*:1] CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C1)C(=O)O[*:1]
COc1cc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCC(=O)[O-] O=C([O-])[*:1] COc1cc(/C=C/c2nc3sc4CCCCc4c3c(=O)[nH]2)ccc1OC[*:1]
COc1cc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCC(=O)[O-] O=C([O-])CO[*:1] COc1cc(/C=C/c2nc3sc4CCCCc4c3c(=O)[nH]2)ccc1[*:1]
COc1cc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCC(=O)[O-] O=C([O-])C[*:1] COc1cc(/C=C/c2nc3sc4CCCCc4c3c(=O)[nH]2)ccc1O[*:1]
C[C@H]1CCc2sc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2C1 CN(C)S(=O)(=O)[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)Nc1cccc(c1)[*:1]
CCC(C)(C)c1ccc(OCCCS)cc1 SCC[*:1] CCC(C)(C)c1ccc(cc1)OC[*:1]
CCC(C)(C)c1ccc(OCCCS)cc1 SCCCO[*:1] CCC(C)(C)c1ccc(cc1)[*:1]
CCC(C)(C)c1ccc(OCCCS)cc1 SCCC[*:1] CCC(C)(C)c1ccc(cc1)O[*:1]
CCC(C)(C)c1ccc(OCCCS)cc1 CCC(C)(C)[*:1] SCCCOc1ccc(cc1)[*:1]
COc1cc(OC)cc([C@@H]([NH3+])c2ccccn2)c1 c1ccc(nc1)[*:1] COc1cc(cc(c1)[C@@H]([NH3+])[*:1])OC
COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)c1ccccc1Br COc1ccccc1[*:1] O=C(C=C[*:1])NC(=S)NNC(=O)c1ccccc1Br
COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)c1ccccc1Br Brc1ccccc1[*:1] COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)cc1C C1Cc2[nH]nc(c2C1)[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(n1N)[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)cc1C Cc1ccc(cc1C)[*:1] Nn1c(nnc1-c1n[nH]c2CCCc12)SCC(=O)N[*:1]
CC(C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 CC(C)NC(=O)[*:1] Clc1ccc(cc1)-c1noc(CC[*:1])n1
CC(C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 CC(C)[*:1] O=C(CCc1nc(no1)-c1ccc(Cl)cc1)N[*:1]
CCCCNC(=O)NC(=O)CN1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)[*:1] CCCCNC(=O)NC(=O)CN1CCN(CC1)C(=O)C[*:1]
CCCCNC(=O)NC(=O)CN1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)C[*:1] CCCCNC(=O)NC(=O)CN1CCN(CC1)C(=O)[*:1]
CCCCNC(=O)NC(=O)CN1CCN(C(=O)CC(F)(F)F)CC1 CCCC[*:1] O=C(CN1CCN(CC1)C(=O)CC(F)(F)F)NC(=O)N[*:1]
CCCCNC(=O)NC(=O)CN1CCN(C(=O)CC(F)(F)F)CC1 CCC[*:1] O=C(CN1CCN(CC1)C(=O)CC(F)(F)F)NC(=O)NC[*:1]
C/C(=N\Nc1nnc(SCC(=O)C2C3CC4CC(C3)CC2C4)n1N)c1cccs1 c1csc(c1)[*:1] CC(=NNc1nnc(SCC(=O)C2C3CC4CC(C3)CC2C4)n1N)[*:1]
C/C(=N\Nc1nnc(SCC(=O)C2C3CC4CC(C3)CC2C4)n1N)c1cccs1 C/C(=N\N[*:1])c1cccs1 Nn1c(nnc1[*:1])SCC(=O)C1C2CC3CC(C2)CC1C3
COc1cccc(CSc2nnc(-c3cccc(Br)c3)n2N)c1 Brc1cccc(c1)[*:1] COc1cccc(c1)CSc1nnc(n1N)[*:1]
CC[C@@H](C)CS(=O)(=O)c1ccccc1Br CC[C@@H](C)[*:1] O=S(=O)(C[*:1])c1ccccc1Br
CC[C@@H](C)CS(=O)(=O)c1ccccc1Br CC[C@@H](C)C[*:1] O=S(=O)(c1ccccc1Br)[*:1]
Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1csc(n1)NS(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1F
Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)CC(=O)N1CCN(CC1)[*:1]
O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1F Fc1ccccc1[*:1] O=C1C(=O)N(Cc2ccccc2)C(=O)N1CC(=O)[*:1]
O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1F c1ccc(cc1)C[*:1] O=C(CN1C(=O)C(=O)N(C1=O)[*:1])c1ccccc1F
O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1F c1ccc(cc1)[*:1] O=C(CN1C(=O)C(=O)N(C[*:1])C1=O)c1ccccc1F
COC(=O)c1ccc(CSc2c(Cl)cccc2Cl)nc1 COC(=O)[*:1] Clc1cccc(Cl)c1SCc1ccc(cn1)[*:1]
COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1 COc1ccc(cc1)[*:1] Cc1cc2oc3C(=O)N(CC[NH+](C)C)[C@H](c3c(=O)c2cc1C)[*:1]
O=Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(c1)[*:1]
O=C(NCCC1=CN=NC1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 c1ccc(cc1)[*:1] O=C(NCCC1=CN=NC1)[C@H]1CCCN(C1)c1nc(nc2CCCc21)[*:1]
COc1ccccc1-c1nc2ccc(Cl)cn2c1NCc1ccccc1 c1ccc(cc1)CN[*:1] COc1ccccc1-c1nc2ccc(Cl)cn2c1[*:1]
COc1ccccc1-c1nc2ccc(Cl)cn2c1NCc1ccccc1 COc1ccccc1[*:1] Clc1ccc2nc(c(NCc3ccccc3)n2c1)[*:1]
COc1ccccc1-c1nc2ccc(Cl)cn2c1NCc1ccccc1 c1ccc(cc1)C[*:1] COc1ccccc1-c1nc2ccc(Cl)cn2c1N[*:1]
COc1ccccc1-c1nc2ccc(Cl)cn2c1NCc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1-c1nc2ccc(Cl)cn2c1NC[*:1]
C#CCN(C(=O)NCc1ncc(C(C)(C)C)o1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] CC(C)(C)c1cnc(CNC(=O)N([C@H]2CCS(=O)(=O)C2)[*:1])o1
C#CCN(C(=O)NCc1ncc(C(C)(C)C)o1)[C@H]1CCS(=O)(=O)C1 CC(C)(C)[*:1] C#CCN(C(=O)NCc1ncc(o1)[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)NCc1ncc(C(C)(C)C)o1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)NCc1ncc(o1)C(C)(C)C)[*:1]
Cc1ccc2nc(NC(=O)CSc3nnc(Cn4c(=O)sc5ccccc54)n3C)sc2c1 O=c1sc2ccccc2n1[*:1] Cc1ccc2nc(NC(=O)CSc3nnc(C[*:1])n3C)sc2c1
Cc1ccc2nc(NC(=O)CSc3nnc(Cn4c(=O)sc5ccccc54)n3C)sc2c1 Cc1ccc2nc(sc2c1)[*:1] Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N[*:1]
CCOc1ccccc1CCC(=O)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] CCOc1ccccc1CCC(=O)N1CCC(O)(CC1)[*:1]
CCOc1ccccc1CCC(=O)N1CCC(O)(C(F)(F)F)CC1 CCO[*:1] O=C(CCc1ccccc1[*:1])N1CCC(O)(CC1)C(F)(F)F
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 C1CC1[*:1] C[C@@H](Sc1nnc(C2CC2)n1[*:1])C(=O)N1CC(=O)Nc2cc(ccc21)C(F)(F)F
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 C1CC1[*:1] C[C@@H](Sc1nnc(n1C1CC1)[*:1])C(=O)N1CC(=O)Nc2cc(ccc21)C(F)(F)F
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 FC(F)(F)[*:1] C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1CC(=O)Nc2cc(ccc21)[*:1]
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCC2)c(C)c1 C1CCN(C1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(cnc1[*:1])C(=O)[O-]
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C([O-])c1cnc(c(c1)NS(=O)(=O)[*:1])N1CCCC1
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCC2)c(C)c1 O=C([O-])[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(cnc1N1CCCC1)[*:1]
CNC(=O)c1ccc([C@H]2CCCN2C(=O)CCC2[NH+]=c3ccccc3=[NH+]2)s1 CNC(=O)[*:1] O=C(CCC1[NH+]=c2ccccc2=[NH+]1)N1CCC[C@@H]1c1ccc(s1)[*:1]
CNC(=O)c1ccc([C@H]2CCCN2C(=O)CCC2[NH+]=c3ccccc3=[NH+]2)s1 CNC(=O)c1ccc(s1)[*:1] O=C(CCC1[NH+]=c2ccccc2=[NH+]1)N1CCC[C@@H]1[*:1]
C#Cc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 O=C([O-])[*:1] C#Cc1cccc(c1)NS(=O)(=O)c1cc(C)c(s1)[*:1]
CCN(Cc1cnc(Cl)s1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(Cc1cnc(Cl)s1)[C@H](C)C[*:1]
CCN(Cc1cnc(Cl)s1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(Cc1cnc(Cl)s1)[C@H](C)[*:1]
CC(C)(C)c1nnc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)s1 CC(C)(C)[*:1] O=C(Nc1nnc(s1)[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2)C(=O)NC1CC1 CC[C@@H](O[*:1])C(=O)NC1CC1 CC(C)C(=O)N1CCc2ccc(cc2[C@@H]1c1ccccc1)[*:1]
CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2)C(=O)NC1CC1 CC(C)[*:1] CC[C@@H](Oc1ccc2CCN(C(=O)[*:1])[C@@H](c3ccccc3)c2c1)C(=O)NC1CC1
CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2)C(=O)NC1CC1 C1CC1[*:1] CC[C@@H](Oc1ccc2CCN(C(=O)C(C)C)[C@@H](c3ccccc3)c2c1)C(=O)N[*:1]
CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2)C(=O)NC1CC1 c1ccc(cc1)[*:1] CC[C@@H](Oc1ccc2CCN(C(=O)C(C)C)[C@@H](c2c1)[*:1])C(=O)NC1CC1
CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2)C(=O)NC1CC1 O=C(NC1CC1)[*:1] CC[C@@H](Oc1ccc2CCN(C(=O)C(C)C)[C@@H](c3ccccc3)c2c1)[*:1]
CCOC1CCN(CN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)CC1 CCO[*:1] O=C1NC2(CCC(CC2)c2ccccc2)C(=O)N1CN1CCC(CC1)[*:1]
CCOC1CCN(CN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)CC1 c1ccc(cc1)[*:1] CCOC1CCN(CC1)CN1C(=O)NC2(CCC(CC2)[*:1])C1=O
CCOC1CCN(CN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)CC1 CCOC1CCN(CC1)[*:1] O=C1NC2(CCC(CC2)c2ccccc2)C(=O)N1C[*:1]
CCC(=O)Nc1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CCC(=O)Nc1cccc(c1)NC(=O)CCc1cccc(c1)[*:1]
CCC(=O)Nc1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 CCC(=O)N[*:1] O=C(CCc1cccc(c1)[N+](=O)[O-])Nc1cccc(c1)[*:1]
CSCC(=O)NNC(=O)C(C)(C)c1ccc(Br)cc1 CSC[*:1] CC(C)(C(=O)NNC(=O)[*:1])c1ccc(Br)cc1
CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O CCOC(=O)[C@H](C)O[*:1] COc1cccc(/C=C2\Oc3cc(ccc3C2=O)[*:1])c1
CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O CCOC(=O)[*:1] COc1cccc(/C=C2\Oc3cc(ccc3C2=O)O[C@@H](C)[*:1])c1
CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O COc1cccc(c1)[*:1] CCOC(=O)[C@H](C)Oc1ccc2C(=O)C(=C[*:1])Oc2c1
CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1)CN(C(=O)[*:1])[C@H]1CCS(=O)(=O)C1
CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)C[*:1] CCOc1ccc(cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 CCO[*:1] COc1ccc(cc1)CN(C(=O)c1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)c2)cc1 COc1ccc(cc1)[*:1] C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)c2)cc1 c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1)N(C)S(=O)(=O)c1cccc(c1)C(=O)N(C)[C@@H](C)[*:1]
Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1[N+](=O)[O-] Cn1cnnc1S[*:1] O=C(Nc1nc(cs1)-c1ccc(F)c(F)c1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1[N+](=O)[O-] Cn1cnnc1[*:1] O=C(Nc1nc(cs1)-c1ccc(F)c(F)c1)c1ccc(S[*:1])c(c1)[N+](=O)[O-]
Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1[N+](=O)[O-] Fc1ccc(cc1F)[*:1] Cn1cnnc1Sc1ccc(cc1[N+](=O)[O-])C(=O)Nc1nc(cs1)[*:1]
Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cn1cnnc1Sc1ccc(cc1[*:1])C(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1
CC[C@@H](NC(=O)COCc1nc(C)no1)c1ccc(C)cc1 Cc1noc(C[*:1])n1 CC[C@@H](NC(=O)CO[*:1])c1ccc(C)cc1
CC[C@@H](NC(=O)COCc1nc(C)no1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)COCc1nc(C)no1)[*:1]
CC[C@@H](NC(=O)COCc1nc(C)no1)c1ccc(C)cc1 Cc1noc(n1)[*:1] CC[C@@H](NC(=O)COC[*:1])c1ccc(C)cc1
Cn1nnc2cc(C(=O)NCC(C)(C)c3ccncc3)ccc21 c1cc(ccn1)[*:1] Cn1nnc2cc(ccc21)C(=O)NCC(C)(C)[*:1]
COC(=O)c1sc2ccccc2c1NC(=O)c1c(OC)cccc1OC COC(=O)[*:1] COc1cccc(OC)c1C(=O)Nc1c(sc2ccccc12)[*:1]
O=C([O-])Cc1cc(C2CC[NH+](Cc3cccs3)CC2)n[nH]1 c1csc(c1)C[*:1] O=C([O-])Cc1cc(n[nH]1)C1CC[NH+](CC1)[*:1]
O=C([O-])Cc1cc(C2CC[NH+](Cc3cccs3)CC2)n[nH]1 O=C([O-])C[*:1] c1csc(c1)C[NH+]1CCC(CC1)c1cc([nH]n1)[*:1]
O=C([O-])Cc1cc(C2CC[NH+](Cc3cccs3)CC2)n[nH]1 c1csc(c1)[*:1] O=C([O-])Cc1cc(n[nH]1)C1CC[NH+](CC1)C[*:1]
O=C([O-])Cc1cc(C2CC[NH+](Cc3cccs3)CC2)n[nH]1 O=C([O-])[*:1] c1csc(c1)C[NH+]1CCC(CC1)c1cc(C[*:1])[nH]n1
O=C(CNC(=O)c1ccc2[nH]c(=S)oc2c1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CNC(=O)c1ccc2[nH]c(=S)oc2c1)N[*:1]
CCc1ccc([C@H](NC(=O)Cc2csc(C)n2)C(C)(C)C)o1 Cc1nc(cs1)C[*:1] CCc1ccc(o1)[C@H](NC(=O)[*:1])C(C)(C)C
CCc1ccc([C@H](NC(=O)Cc2csc(C)n2)C(C)(C)C)o1 CC(C)(C)[*:1] CCc1ccc(o1)[C@H](NC(=O)Cc1csc(C)n1)[*:1]
CCc1ccc([C@H](NC(=O)Cc2csc(C)n2)C(C)(C)C)o1 CCc1ccc(o1)[*:1] Cc1nc(cs1)CC(=O)N[C@H](C(C)(C)C)[*:1]
CCc1ccc([C@H](NC(=O)Cc2csc(C)n2)C(C)(C)C)o1 Cc1nc(cs1)[*:1] CCc1ccc(o1)[C@H](NC(=O)C[*:1])C(C)(C)C
O=C([O-])C[NH+]1CCN(c2cc(-c3ccccc3)nc(-c3ccccc3F)n2)CC1 Fc1ccccc1[*:1] O=C([O-])C[NH+]1CCN(CC1)c1cc(nc(n1)[*:1])-c1ccccc1
O=C([O-])C[NH+]1CCN(c2cc(-c3ccccc3)nc(-c3ccccc3F)n2)CC1 c1ccc(cc1)[*:1] O=C([O-])C[NH+]1CCN(CC1)c1cc(nc(n1)-c1ccccc1F)[*:1]
C#CCn1/c(=N/C(=O)Cc2ccc(Cl)s2)sc2cc3c(cc21)OCCO3 Clc1ccc(C[*:1])s1 C#CCn1/c(=N/C(=O)[*:1])sc2cc3OCCOc3cc21
C#CCn1/c(=N/C(=O)Cc2ccc(Cl)s2)sc2cc3c(cc21)OCCO3 Clc1ccc(s1)[*:1] C#CCn1/c(=N/C(=O)C[*:1])sc2cc3OCCOc3cc21
C#CCn1/c(=N/C(=O)Cc2ccc(Cl)s2)sc2cc3c(cc21)OCCO3 C#CC[*:1] O=C(Cc1ccc(Cl)s1)/N=c1\sc2cc3OCCOc3cc2n1[*:1]
C[C@H](CNC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCOCC1 Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)N[C@@H]([C@@H]1CCCO1)[*:1])N1CCOCC1
C[C@H](CNC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCOCC1 C1CO[C@@H](C1)[*:1] C[C@H](CNC(=O)N[C@@H](c1ccc(F)cc1)[*:1])N1CCOCC1
C[C@H](CNC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)[*:1]
C[C@H](CNC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] O=C(NC[*:1])N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1
O=C(CSc1nnc2ccc(-c3ccco3)nn12)N1CCOCC1 c1coc(c1)[*:1] O=C(CSc1nnc2ccc(nn12)[*:1])N1CCOCC1
O=C(CSc1nnc2ccc(-c3ccco3)nn12)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1coc(c1)-c1ccc2nnc(SC[*:1])n2n1
COc1ccc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)CNC(=O)C1CCN(CC1)C(=O)[*:1]
COc1ccc(CNC(=O)NC[C@@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H]1CN(C(=O)O1)c1ccc2OCOc2c1)NC[*:1]
COc1ccc(CNC(=O)NC[C@@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)CNC(=O)NC[C@@H]1CN(C(=O)O1)[*:1]
COc1ccc(CNC(=O)NC[C@@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)cc1 COc1ccc(cc1)C[*:1] O=C(NC[C@@H]1CN(C(=O)O1)c1ccc2OCOc2c1)N[*:1]
Cc1ccc2c(CC(=O)OCCNc3cccnn3)coc2c1 c1cnnc(c1)N[*:1] Cc1ccc2c(coc2c1)CC(=O)OCC[*:1]
Cc1ccc2c(CC(=O)OCCNc3cccnn3)coc2c1 c1cnnc(c1)[*:1] Cc1ccc2c(coc2c1)CC(=O)OCCN[*:1]
CC[C@@](C)([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)C(=O)[O-] Fc1ccc(cc1)[*:1] CC[C@@](C)([NH2+]CC(=O)N[C@@H](C)[*:1])C(=O)[O-]
CC(C)c1nccc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1 CC(C)[*:1] CN1C(=O)NC2(CCN(CC2)c2ccnc(n2)[*:1])C1=O
CC(C)N1CCO[C@H](CCNC(=O)c2ccc3nnnn3c2)C1 CC(C)[*:1] O=C(NCC[C@@H]1CN(CCO1)[*:1])c1ccc2nnnn2c1
O=C(OCC(=O)N1CCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1 O=C(N1CCCC1)[*:1] O=C(OC[*:1])[C@@H]1C[C@H]1c1ccc(F)cc1
O=C(OCC(=O)N1CCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(OCC(=O)N1CCCC1)[C@@H]1C[C@@H]1[*:1]
O=C([C@H]1C[C@H]1c1ccco1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] O=C([C@H]1C[C@H]1c1ccco1)N(C1CCC1)[*:1]
O=C([C@H]1C[C@H]1c1ccco1)N(CCC(F)(F)F)C1CCC1 c1coc(c1)[*:1] O=C([C@H]1C[C@@H]1[*:1])N(CCC(F)(F)F)C1CCC1
O=C([C@H]1C[C@H]1c1ccco1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] O=C([C@H]1C[C@H]1c1ccco1)N(C[*:1])C1CCC1
O=C([C@H]1C[C@H]1c1ccco1)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] O=C([C@H]1C[C@H]1c1ccco1)N(CCC(F)(F)F)[*:1]
O=C([C@H]1C[C@H]1c1ccco1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] O=C([C@H]1C[C@H]1c1ccco1)N(CC[*:1])C1CCC1
CCc1ccccc1NC(=O)CN1C(=O)CSc2c1c(C)nn2-c1ccccc1 CCc1ccccc1[*:1] Cc1nn(-c2ccccc2)c2SCC(=O)N(CC(=O)N[*:1])c12
CCc1ccccc1NC(=O)CN1C(=O)CSc2c1c(C)nn2-c1ccccc1 c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)CN1C(=O)CSc2c1c(C)nn2[*:1]
COc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2c3ccc(C)cc3C[C@@H]2C)s1 COc1ccccc1[*:1] Cc1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1nnc(NC(=O)[*:1])s1
CCCCn1c(CSc2cccc[n+]2[O-])nc2cc(S(N)(=O)=O)ccc21 [O-][n+]1ccccc1[*:1] CCCCn1c(CS[*:1])nc2cc(ccc21)S(N)(=O)=O
CCCCn1c(CSc2cccc[n+]2[O-])nc2cc(S(N)(=O)=O)ccc21 [O-][n+]1ccccc1S[*:1] CCCCn1c(C[*:1])nc2cc(ccc21)S(N)(=O)=O
CCCCn1c(CSc2cccc[n+]2[O-])nc2cc(S(N)(=O)=O)ccc21 CCC[*:1] NS(=O)(=O)c1ccc2c(c1)nc(CSc1cccc[n+]1[O-])n2C[*:1]
CCCCn1c(CSc2cccc[n+]2[O-])nc2cc(S(N)(=O)=O)ccc21 CCCC[*:1] NS(=O)(=O)c1ccc2c(c1)nc(CSc1cccc[n+]1[O-])n2[*:1]
CCCCn1c(CSc2cccc[n+]2[O-])nc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CCCCn1c(CSc2cccc[n+]2[O-])nc2cc(ccc21)[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cccc[n+]1[O-] C[S@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)c1cccc[n+]1[O-]
Cn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)n[nH]c1=O Cn1c(n[nH]c1=O)[*:1] Clc1ccc(cc1)Cc1nc(cs1)CS[*:1]
Cn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)n[nH]c1=O Clc1ccc(cc1)[*:1] Cn1c(n[nH]c1=O)SCc1csc(C[*:1])n1
CCn1nc(C(=O)/N=c2/sc3cc(F)ccc3n2CCOC)cc1C CCn1nc(cc1C)[*:1] COCCn1/c(=N\C(=O)[*:1])sc2cc(F)ccc21
CCn1nc(C(=O)/N=c2/sc3cc(F)ccc3n2CCOC)cc1C COC[*:1] CCn1nc(cc1C)C(=O)/N=c1/sc2cc(F)ccc2n1C[*:1]
CCn1nc(C(=O)/N=c2/sc3cc(F)ccc3n2CCOC)cc1C COCC[*:1] CCn1nc(cc1C)C(=O)/N=c1/sc2cc(F)ccc2n1[*:1]
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(-n3cncn3)nc2)C2CC2)o1 c1ncn(n1)[*:1] C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(nc2)[*:1])C2CC2)o1
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(-n3cncn3)nc2)C2CC2)o1 C1CC1[*:1] C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(nc2)-n2cncn2)[*:1])o1
CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3ccccc3)cc21 c1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCOc2ccc(cc21)NC(=O)[*:1]
CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)c3ccccc3)cc21 CC(C)(C)[*:1] O=C(Nc1ccc2OCCN(C(=O)[*:1])c2c1)c1ccccc1
Cn1cc(Br)c(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)n1 Cn1cc(Br)c(n1)[*:1] O=C(N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F)[*:1]
Cn1cc(Br)c(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)n1 FC(F)(F)[*:1] Cn1cc(Br)c(n1)C(=O)N1N=C2CCCC[C@@H]2[C@]1(O)[*:1]
CCOc1cccnc1/C([O-])=N/S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOc1cccnc1/C([O-])=N/S(=O)(=O)[*:1]
CCOc1cccnc1/C([O-])=N/S(=O)(=O)c1ccc(F)cc1 CCO[*:1] O=S(=O)(/N=C(\[O-])c1ncccc1[*:1])c1ccc(F)cc1
Cc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1ccccc1NC(=O)C(=O)N[C@@H](C)[*:1]
Cn1cc(-c2nc(C(=O)O[C@@H]3CC[C@@H](S(C)(=O)=O)C3)cs2)cn1 CS(=O)(=O)[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)O[C@@H]1CC[C@@H](C1)[*:1]
Cn1cc(-c2nc(C(=O)O[C@@H]3CC[C@@H](S(C)(=O)=O)C3)cs2)cn1 Cn1cc(cn1)[*:1] CS(=O)(=O)[C@@H]1CC[C@H](C1)OC(=O)c1csc(n1)[*:1]
C[C@H](NC(=O)[C@H](C)[S@@](=O)c1cccc(F)c1)c1ccccc1 Fc1cccc(c1)[*:1] C[C@H](NC(=O)[C@H](C)[S@@](=O)[*:1])c1ccccc1
C[C@H](NC(=O)[C@H](C)[S@@](=O)c1cccc(F)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@@H](C)[*:1])[S@@](=O)c1cccc(F)c1
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc2c1OCO2 Fc1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1C(=O)c1cccc2OCOc21)[*:1]
CCCOCC1=NC(=O)C2=C(c3ccc(F)cc3)CSC2=N1 CCC[*:1] O=C1N=C(CO[*:1])N=C2SCC(=C12)c1ccc(F)cc1
CCCOCC1=NC(=O)C2=C(c3ccc(F)cc3)CSC2=N1 Fc1ccc(cc1)[*:1] CCCOCC1=NC(=O)C2C(=N1)SCC=2[*:1]
CCCOCC1=NC(=O)C2=C(c3ccc(F)cc3)CSC2=N1 CCCOC[*:1] O=C1N=C(N=C2SCC(=C12)c1ccc(F)cc1)[*:1]
CCCOCC1=NC(=O)C2=C(c3ccc(F)cc3)CSC2=N1 CCCO[*:1] O=C1N=C(C[*:1])N=C2SCC(=C12)c1ccc(F)cc1
Cc1cccc(OCC(=O)Oc2cccc([N+](=O)[O-])c2C)c1 Cc1cccc(c1)[*:1] Cc1c(cccc1[N+](=O)[O-])OC(=O)CO[*:1]
Cc1cccc(OCC(=O)Oc2cccc([N+](=O)[O-])c2C)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)OCC(=O)Oc1cccc(c1C)[*:1]
Cn1ncc2c(SCC(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)ncnc21 Cn1ncc2c(ncnc21)[*:1] O=C(CS[*:1])N(Cc1nnc(o1)-c1ccccc1Cl)C1CC1
Cn1ncc2c(SCC(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)ncnc21 Clc1ccccc1[*:1] Cn1ncc2c(ncnc21)SCC(=O)N(Cc1nnc(o1)[*:1])C1CC1
Cn1ncc2c(SCC(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)ncnc21 C1CC1[*:1] Cn1ncc2c(ncnc21)SCC(=O)N(Cc1nnc(o1)-c1ccccc1Cl)[*:1]
CCOc1ccccc1CN1CCN(c2cccc3c2C(=O)N(CC2(O)CCCCC2)C3=O)CC1 OC1(CCCCC1)[*:1] CCOc1ccccc1CN1CCN(CC1)c1cccc2C(=O)N(C[*:1])C(=O)c21
CCOc1ccccc1CN1CCN(c2cccc3c2C(=O)N(CC2(O)CCCCC2)C3=O)CC1 CCOc1ccccc1C[*:1] O=C1c2cccc(c2C(=O)N1CC1(O)CCCCC1)N1CCN(CC1)[*:1]
CCOc1ccccc1CN1CCN(c2cccc3c2C(=O)N(CC2(O)CCCCC2)C3=O)CC1 OC1(CCCCC1)C[*:1] CCOc1ccccc1CN1CCN(CC1)c1cccc2C(=O)N(C(=O)c21)[*:1]
CCOc1ccccc1CN1CCN(c2cccc3c2C(=O)N(CC2(O)CCCCC2)C3=O)CC1 CCO[*:1] O=C1c2cccc(c2C(=O)N1CC1(O)CCCCC1)N1CCN(CC1)Cc1ccccc1[*:1]
CCOc1ccccc1CN1CCN(c2cccc3c2C(=O)N(CC2(O)CCCCC2)C3=O)CC1 CCOc1ccccc1[*:1] O=C1c2cccc(c2C(=O)N1CC1(O)CCCCC1)N1CCN(CC1)C[*:1]
CSCc1cc(F)ccc1CNC(=O)c1c(F)cccc1Cl CSC[*:1] O=C(NCc1ccc(F)cc1[*:1])c1c(F)cccc1Cl
CCCCNC(=O)C[NH+](CC)C1CCC([NH3+])CC1 CCCC[*:1] CC[NH+](CC(=O)N[*:1])C1CCC([NH3+])CC1
CCCCNC(=O)C[NH+](CC)C1CCC([NH3+])CC1 CCC[*:1] CC[NH+](CC(=O)NC[*:1])C1CCC([NH3+])CC1
Cc1ccn(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3C)c2)n1 Cc1ccn(n1)[*:1] Cc1c(F)cc(cc1S(=O)(=O)[N-]c1cccc(c1)[*:1])C(=O)[O-]
Cc1ccn(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3C)c2)n1 O=C([O-])[*:1] Cc1ccn(n1)-c1cccc(c1)[N-]S(=O)(=O)c1cc(cc(F)c1C)[*:1]
CC(C)N[C@]1(C#N)CCC[C@H](SC2CCCC2)C1 C1CCC(C1)S[*:1] CC(C)N[C@]1(C#N)CCC[C@H](C1)[*:1]
CC(C)N[C@]1(C#N)CCC[C@H](SC2CCCC2)C1 CC(C)N[*:1] N#C[C@@]1(CCC[C@@H](C1)SC1CCCC1)[*:1]
CC(C)N[C@]1(C#N)CCC[C@H](SC2CCCC2)C1 CC(C)[*:1] N#C[C@]1(CCC[C@@H](C1)SC1CCCC1)N[*:1]
CC(C)N[C@]1(C#N)CCC[C@H](SC2CCCC2)C1 C1CCC(C1)[*:1] CC(C)N[C@]1(C#N)CCC[C@@H](C1)S[*:1]
Cc1cccnc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)C[*:1] Cc1cccnc1NC(=O)Cc1csc(n1)[*:1]
Cc1cccnc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cccnc1NC(=O)Cc1csc(C[*:1])n1
Cc1cccnc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 Cc1cccnc1[*:1] O=C(Cc1csc(Cc2ccc(F)cc2)n1)N[*:1]
CCc1nc2ccccc2c(C(=O)NCCc2cn3ccccc3n2)c1C c1ccn2cc(nc2c1)[*:1] CCc1nc2ccccc2c(C(=O)NCC[*:1])c1C
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2F)n2nnnc2N1 Clc1ccc(cc1)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)N[*:1])c1ccccc1F
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2F)n2nnnc2N1 Fc1ccccc1[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)Nc1ccc(Cl)cc1)[*:1]
CC[C@@H](C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)N1CCCC1=O O=C1CCCN1[*:1] CC[C@@H](C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CC[C@@H](C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)N1CCCC1=O c1cnc(nc1)[*:1] CC[C@@H](C(=O)NC[C@@H]1CCCN(C1)[*:1])N1CCCC1=O
CCc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CC[NH+](CC)CC3)c2)s1 CCc1ccc(s1)[*:1] CC[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNS(=O)(=O)[*:1]
Cc1ccc(CN2CCCN(CC(=O)N3CCCC[C@@H]3C)S2(=O)=O)cc1 Cc1ccc(cc1)C[*:1] C[C@H]1CCCCN1C(=O)CN1CCCN(S1(=O)=O)[*:1]
Cc1ccc(CN2CCCN(CC(=O)N3CCCC[C@@H]3C)S2(=O)=O)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)CN1CCCN(C[*:1])S1(=O)=O
O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)NC[C@H]1COc2ccccc2O1 c1ccc(cc1)C[*:1] O=C(Cn1c(=O)c(=O)n(c2ccc(Cl)cc21)[*:1])NC[C@H]1COc2ccccc2O1
O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)NC[C@H]1COc2ccccc2O1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)c(=O)n(C[*:1])c2ccc(Cl)cc21)NC[C@H]1COc2ccccc2O1
COc1ccc([C@@H](NC(=O)N(C)[C@@H](C)CSC)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] CSC[C@H](C)N(C)C(=O)N[C@@H](C1CCOCC1)[*:1]
COc1ccc([C@@H](NC(=O)N(C)[C@@H](C)CSC)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(C)[C@@H](C)CSC)[*:1]
COc1ccc([C@@H](NC(=O)N(C)[C@@H](C)CSC)C2CCOCC2)cc1 CSC[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(C)[C@@H](C)[*:1])C1CCOCC1
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NCc1ccc(Cl)cc1)C2 Clc1ccc(cc1)[*:1] C=C1C(C)(C)[C@H]2CC[C@@]1(C2)C(=O)NC[*:1]
C=C(Cl)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 C=C(Cl)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
C=C(Cl)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 C=C(Cl)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1]
C=CCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 C=CCNC(=O)[*:1] O=C(N[C@@H](C1CCN(CC1)C(=O)Nc1cccc(Cl)c1)[*:1])c1ccccc1
C=CCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 c1ccc(cc1)[*:1] C=CCNC(=O)[C@@H](NC(=O)[*:1])C1CCN(CC1)C(=O)Nc1cccc(Cl)c1
C=CCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 O=C(N[*:1])c1ccccc1 C=CCNC(=O)[C@@H](C1CCN(CC1)C(=O)Nc1cccc(Cl)c1)[*:1]
C=CCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] C=CCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(CC1)C(=O)N[*:1]
C=CCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 C=CC[*:1] O=C(N[C@H](C(=O)N[*:1])C1CCN(CC1)C(=O)Nc1cccc(Cl)c1)c1ccccc1
Cc1c(C(=O)NC[C@H]2C[C@@]23CCc2ccccc23)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@H]1C[C@@]12CCc1ccccc12
Cc1nc([C@H](C)[NH2+]CC(=O)[O-])cs1 O=C([O-])[*:1] Cc1nc(cs1)[C@H](C)[NH2+]C[*:1]
CC(C)[C@@H](CO)NC(=O)NCC(=O)N(C)CC(F)(F)F CC(C)[*:1] CN(CC(F)(F)F)C(=O)CNC(=O)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)NCC(=O)N(C)CC(F)(F)F CC(C)[C@@H](CO)[*:1] CN(CC(F)(F)F)C(=O)CNC(=O)N[*:1]
CC(C)[C@@H](CO)NC(=O)NCC(=O)N(C)CC(F)(F)F FC(F)(F)[*:1] CC(C)[C@@H](CO)NC(=O)NCC(=O)N(C)C[*:1]
CC(C)[C@@H](CO)NC(=O)NCC(=O)N(C)CC(F)(F)F FC(F)(F)C[*:1] CC(C)[C@@H](CO)NC(=O)NCC(=O)N(C)[*:1]
CSc1ccc2nc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)sc2c1 Clc1ccc(cc1)[*:1] CSc1ccc2nc(NC(=O)[C@H]3CCCN(C3)S(=O)(=O)[*:1])sc2c1
CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1F CC(=O)N[*:1] O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(F)c(c1)[*:1]
CCOc1ccccc1N1CCN(CC(=O)N2CCSc3ccccc32)CC1 CCOc1ccccc1[*:1] O=C(CN1CCN(CC1)[*:1])N1CCSc2ccccc21
CCOc1ccccc1N1CCN(CC(=O)N2CCSc3ccccc32)CC1 CCO[*:1] O=C(CN1CCN(CC1)c1ccccc1[*:1])N1CCSc2ccccc21
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@H]1c1nc2ccccc2[nH]1 C1CO[C@@H](C1)[*:1] O=C(c1cnc(s1)[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
CCCOC(=O)c1cccc(C#Cc2ccccc2)c1N c1ccc(cc1)[*:1] CCCOC(=O)c1cccc(C#C[*:1])c1N
CCCOC(=O)c1cccc(C#Cc2ccccc2)c1N CCC[*:1] Nc1c(C#Cc2ccccc2)cccc1C(=O)O[*:1]
CCCOC(=O)c1cccc(C#Cc2ccccc2)c1N CCCOC(=O)[*:1] Nc1c(C#Cc2ccccc2)cccc1[*:1]
c1cnn(-c2cc(CNc3nc(-c4ccncc4)nc4c3CCC4)ccn2)c1 c1cc(ccn1)[*:1] c1cnn(c1)-c1cc(ccn1)CNc1nc(nc2CCCc21)[*:1]
c1cnn(-c2cc(CNc3nc(-c4ccncc4)nc4c3CCC4)ccn2)c1 c1cnn(c1)[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)NCc1ccnc(c1)[*:1]
CC[C@@](C)(NS(=O)(=O)Cc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CC[C@@](C)(NS(=O)(=O)C[*:1])C(=O)[O-]
CC[C@@](C)(NS(=O)(=O)Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NS(=O)(=O)Cc1ccccc1)[*:1]
Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CCOCC2)cc1F C1CN(CCO1)C[*:1] Cc1ccc(cc1F)[C@@H](C)[NH2+][C@@H](C)C[*:1]
Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CCOCC2)cc1F C1CN(CCO1)[*:1] Cc1ccc(cc1F)[C@@H](C)[NH2+][C@@H](C)CC[*:1]
CC(=O)Nc1nc(SCC(=O)N2C[C@H](C)O[C@H](C)C2)[nH]c(=O)c1NC(=O)c1ccccc1 CC(=O)N[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CSc1nc(c(NC(=O)c2ccccc2)c(=O)[nH]1)[*:1]
CC(=O)Nc1nc(SCC(=O)N2C[C@H](C)O[C@H](C)C2)[nH]c(=O)c1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 CC(=O)Nc1nc([nH]c(=O)c1[*:1])SCC(=O)N1C[C@H](C)O[C@H](C)C1
CC(=O)Nc1nc(SCC(=O)N2C[C@H](C)O[C@H](C)C2)[nH]c(=O)c1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)Nc1nc([nH]c(=O)c1NC(=O)[*:1])SCC(=O)N1C[C@H](C)O[C@H](C)C1
Cc1nc(C[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])sc1C CC(C)(C)[*:1] Cc1nc(C[C@@H]2C[C@@H](CC[C@@H]2[NH3+])[*:1])sc1C
O=C(c1cnc([C@H]2CCCO2)s1)N1CCC[C@H]2CCC[C@@H]21 C1CO[C@H](C1)[*:1] O=C(c1cnc(s1)[*:1])N1CCC[C@H]2CCC[C@@H]21
CC(=O)c1cccc(OCCC[NH+]2CCOCC2)c1 CC(=O)[*:1] c1cc(cc(c1)[*:1])OCCC[NH+]1CCOCC1
COc1ccccc1[C@H](NC(=O)CC1CCCC1)c1nccn1C C1CCC(C1)C[*:1] COc1ccccc1[C@H](NC(=O)[*:1])c1nccn1C
COc1ccccc1[C@H](NC(=O)CC1CCCC1)c1nccn1C COc1ccccc1[*:1] Cn1ccnc1[C@@H](NC(=O)CC1CCCC1)[*:1]
COc1ccccc1[C@H](NC(=O)CC1CCCC1)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@H](NC(=O)CC1CCCC1)[*:1]
COc1ccccc1[C@H](NC(=O)CC1CCCC1)c1nccn1C C1CCC(C1)[*:1] COc1ccccc1[C@H](NC(=O)C[*:1])c1nccn1C
CCC(=O)c1ccc(OC(=O)Cn2nnc(-c3ccccc3)n2)cc1 CCC(=O)[*:1] O=C(Cn1nnc(n1)-c1ccccc1)Oc1ccc(cc1)[*:1]
CCC(=O)c1ccc(OC(=O)Cn2nnc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CCC(=O)c1ccc(cc1)OC(=O)Cn1nnc(n1)[*:1]
Cc1nn(C[C@@H](O)COc2cccc3ccccc23)c(=O)c(C(N)=O)c1C NC(=O)[*:1] Cc1nn(C[C@@H](O)COc2cccc3ccccc23)c(=O)c(c1C)[*:1]
Cc1cc(NC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)no1 CC(C)(C)[*:1] Cc1cc(no1)NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
Cc1cc(NC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)no1 Cc1cc(no1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[*:1]
Cc1nnc(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)o1 Cc1nnc(o1)[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)OC[*:1]
Cc1nnc(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)o1 Cc1nnc(C[*:1])o1 C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[*:1]
CN(C(=O)c1cc2cccc(F)c2o1)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)c1cc2cccc(F)c2o1)[C@@H]1CCC[C@H]1[*:1]
CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1CC CCC[*:1] CCc1ccccc1N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1CC CCc1ccccc1[*:1] CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CC[C@@H](CCO)CNC(=O)Cc1cccc(C)c1 OCC[*:1] CC[C@@H](CNC(=O)Cc1cccc(C)c1)[*:1]
CC[C@@H](CCO)CNC(=O)Cc1cccc(C)c1 CC[C@@H](CCO)[*:1] Cc1cccc(c1)CC(=O)NC[*:1]
CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O CCC[*:1] O=C(N[C@H]1CCCN(C1=O)c1ccccc1)[C@@H]1CCCCN1C(=O)[*:1]
CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCCN(C1=O)[*:1]
CCOC(=O)[C@H](O)[C@]1(C[NH3+])CCc2ccccc21 CCOC(=O)[*:1] [NH3+]C[C@]1(CCc2ccccc21)[C@@H](O)[*:1]
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1 C(=C[*:1])c1cccs1 Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)NNC(=O)[*:1]
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)NNC(=O)C=C[*:1]
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1 Cc1ccccc1[*:1] O=C(/C=C/c1cccs1)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1NC(=S)NC(=O)c1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=S)NC(=O)c1ccc(cc1)C(C)C)[*:1]
COc1ccc(-c2n[nH]cc2CN2CCc3ccccc3[C@@H]2CO)cc1 COc1ccc(cc1)[*:1] OC[C@H]1c2ccccc2CCN1Cc1c[nH]nc1[*:1]
CCC[C@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 CCC[*:1] O=[N+]([O-])c1cccc(c1)[C@@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CCC[C@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC[C@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)c1cccc(c1)[*:1]
C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2CN2CCOCC2)C1 C[C@@H]1CCC[C@H](C1)[*:1] O=C(N1CCC[C@@H]1CN1CCOCC1)[*:1]
C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2CN2CCOCC2)C1 C1CN(CCO1)[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)N1CCC[C@@H]1C[*:1]
C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2CN2CCOCC2)C1 C1CN(CCO1)C[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)N1CCC[C@H]1[*:1]
CN(C[C@@H]1CCCCO1)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C1CC[C@@H](C[*:1])OC1 CN(C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
CN(C[C@@H]1CCCCO1)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CN(C[C@@H]1CCCCO1)C(=O)N[C@@H]1CCO[C@H]1[*:1]
CN(C[C@@H]1CCCCO1)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C1CC[C@H](OC1)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2F)c1 COc1cccc(c1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1ccccc1F
COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2F)c1 Fc1ccccc1[*:1] COc1cccc(c1)NC(=O)C1=C(C)NC(=S)N[C@@H]1[*:1]
COc1ncccc1NC(=O)[C@@H]1CN(C/C=C/c2ccccc2)CCN1 c1ccc(cc1)[*:1] COc1ncccc1NC(=O)[C@@H]1CN(CC=C[*:1])CCN1
COc1ncccc1NC(=O)[C@@H]1CN(C/C=C/c2ccccc2)CCN1 C(=C[*:1])c1ccccc1 COc1ncccc1NC(=O)[C@@H]1CN(CCN1)C[*:1]
COc1ncccc1NC(=O)[C@@H]1CN(C/C=C/c2ccccc2)CCN1 COc1ncccc1[*:1] O=C(N[*:1])[C@@H]1CN(C/C=C/c2ccccc2)CCN1
CC[NH+](CCCC[NH3+])Cc1ccccn1 [NH3+]CC[*:1] CC[NH+](CC[*:1])Cc1ccccn1
CC[C@H](CNC(=O)c1cc(C#N)cn1C)Oc1ccccc1Cl Clc1ccccc1[*:1] CC[C@H](CNC(=O)c1cc(C#N)cn1C)O[*:1]
CCCn1ccc(NCc2cccc(OC)c2OC)n1 CCC[*:1] COc1cccc(CNc2ccn(n2)[*:1])c1OC
Cc1cscc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cscc1C[NH2+][C@H](C)c1ccc(C)c(c1)[*:1]
Cc1cscc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 Cc1cscc1[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@@H](C)[NH2+]C[*:1]
O=C(NCCc1cccs1)C(=O)Nc1cccc(OC(F)F)c1 c1csc(c1)[*:1] O=C(NCC[*:1])C(=O)Nc1cccc(c1)OC(F)F
O=C(NCCc1cccs1)C(=O)Nc1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(NCCc1cccs1)C(=O)Nc1cccc(c1)[*:1]
O=C(NCCc1cccs1)C(=O)Nc1cccc(OC(F)F)c1 c1csc(c1)C[*:1] O=C(NC[*:1])C(=O)Nc1cccc(c1)OC(F)F
O=C(NCCc1cccs1)C(=O)Nc1cccc(OC(F)F)c1 FC(F)[*:1] O=C(NCCc1cccs1)C(=O)Nc1cccc(c1)O[*:1]
O=C(NCCc1cccs1)C(=O)Nc1cccc(OC(F)F)c1 c1csc(c1)CC[*:1] O=C(Nc1cccc(c1)OC(F)F)C(=O)N[*:1]
COC[C@@](C)(O)CNC(=O)C1CCCC1 C1CCC(C1)[*:1] COC[C@@](C)(O)CNC(=O)[*:1]
COC[C@@](C)(O)CNC(=O)C1CCCC1 COC[*:1] C[C@@](O)(CNC(=O)C1CCCC1)[*:1]
Cc1ccc(C)c(CS(=O)(=O)Cc2cc(=O)n3cccc(C)c3n2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cccn2c(=O)cc(CS(=O)(=O)C[*:1])nc12
Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2)cc1 Cc1ccc(cc1)[*:1] Cc1c(NC(=O)c2ccccc2OCc2nc(no2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2)cc1 Cc1ccc(cc1)-c1noc(n1)[*:1] Cc1c(NC(=O)c2ccccc2OC[*:1])c(=O)n(-c2ccccc2)n1C
Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(COc2ccccc2C(=O)Nc2c(C)n(C)n(c2=O)[*:1])n1
CCC(CC)C(=O)Nc1sc2c(c1C#N)CCCCCC2 CCC(CC)[*:1] N#Cc1c(NC(=O)[*:1])sc2CCCCCCc21
Cc1ncccc1-c1nnc(C[NH2+]C(C)(C)C)s1 CC(C)(C)[*:1] Cc1ncccc1-c1nnc(C[NH2+][*:1])s1
Cc1cc(OC[C@@H](O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1Cl Cc1cc(ccc1Cl)O[*:1] O[C@@H](CN1CC[NH+](CC1)Cc1ccc2OCOc2c1)C[*:1]
Cc1cc(OC[C@@H](O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1Cl Cc1cc(ccc1Cl)[*:1] O[C@H](CO[*:1])CN1CC[NH+](CC1)Cc1ccc2OCOc2c1
Cc1cc(OC[C@@H](O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1Cl c1cc2OCOc2cc1[*:1] Cc1cc(ccc1Cl)OC[C@@H](O)CN1CC[NH+](CC1)C[*:1]
CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCC(=O)N1N=C(C[C@@H]1[*:1])c1ccccc1
CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc(F)c1 c1ccc(cc1)[*:1] CCC(=O)N1N=C(C[C@H]1c1cccc(F)c1)[*:1]
C[C@H](Nc1nccc(Oc2ccc(F)cc2)n1)c1cccc(S(N)(=O)=O)c1 Fc1ccc(cc1)[*:1] C[C@H](Nc1nccc(n1)O[*:1])c1cccc(c1)S(N)(=O)=O
C[C@H](Nc1nccc(Oc2ccc(F)cc2)n1)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@H](Nc1nccc(n1)Oc1ccc(F)cc1)c1cccc(c1)[*:1]
C[C@H](Nc1nccc(Oc2ccc(F)cc2)n1)c1cccc(S(N)(=O)=O)c1 Fc1ccc(cc1)O[*:1] C[C@H](Nc1nccc(n1)[*:1])c1cccc(c1)S(N)(=O)=O
COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)cs2)c(OC)c1 CN(C)S(=O)(=O)[*:1] COc1ccc(NC(=O)c2cc(cs2)[*:1])c(c1)OC
COc1ccccc1S(=O)(=O)Cc1nnnn1C1CC1 C1CC1[*:1] COc1ccccc1S(=O)(=O)Cc1nnnn1[*:1]
CCC/C(=N/NC(=O)C(C)(C)O)c1ccccc1 CCC[*:1] CC(C)(O)C(=O)N/N=C(\c1ccccc1)[*:1]
CCC/C(=N/NC(=O)C(C)(C)O)c1ccccc1 c1ccc(cc1)[*:1] CCCC(=NNC(=O)C(C)(C)O)[*:1]
CCC/C(=N/NC(=O)C(C)(C)O)c1ccccc1 CC(C)(O)[*:1] CCC/C(=N/NC(=O)[*:1])c1ccccc1
CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1)[*:1]
CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1)c1c(C)noc1C Fc1ccc(cc1)[*:1] CC[C@@H]([NH2+][C@H](C)CC(=O)N[*:1])c1c(C)noc1C
COc1ccc2cc(C(=O)NNc3ccc(F)cc3)c(C)nc2c1 Fc1ccc(cc1)[*:1] COc1ccc2cc(C(=O)NN[*:1])c(C)nc2c1
C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)c1ccc(C(=O)[O-])o1 O=C([O-])[*:1] C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)c1ccc(o1)[*:1]
O=C(NCc1ccc(F)cc1)c1nc(-c2cccc(F)c2)n2c1CCCCC2 Fc1cccc(c1)[*:1] O=C(NCc1ccc(F)cc1)c1nc(n2CCCCCc12)[*:1]
O=C(NCc1ccc(F)cc1)c1nc(-c2cccc(F)c2)n2c1CCCCC2 Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1nc(-c2cccc(F)c2)n2CCCCCc12
O=C(NCc1ccc(F)cc1)c1nc(-c2cccc(F)c2)n2c1CCCCC2 Fc1ccc(cc1)C[*:1] O=C(N[*:1])c1nc(-c2cccc(F)c2)n2CCCCCc12
CCCn1ccc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)n1 Cc1ccc(cc1)[*:1] CCCn1ccc(n1)C(=O)Nc1c(C)nn(C[*:1])c1C
CCCn1ccc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)n1 CCCn1ccc(n1)[*:1] Cc1ccc(cc1)Cn1nc(C)c(NC(=O)[*:1])c1C
CCCn1ccc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)n1 Cc1ccc(cc1)C[*:1] CCCn1ccc(n1)C(=O)Nc1c(C)nn(c1C)[*:1]
CCCn1ccc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)n1 CCC[*:1] Cc1ccc(cc1)Cn1nc(C)c(NC(=O)c2ccn(n2)[*:1])c1C
Cc1ccc(/C=C/C(=O)N2CCN(Cc3cccnc3)CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(C=C[*:1])N1CCN(CC1)Cc1cccnc1
Cc1ccc(/C=C/C(=O)N2CCN(Cc3cccnc3)CC2)cc1Cl c1cncc(c1)C[*:1] Cc1ccc(/C=C/C(=O)N2CCN(CC2)[*:1])cc1Cl
Cc1ccc(/C=C/C(=O)N2CCN(Cc3cccnc3)CC2)cc1Cl c1cncc(c1)[*:1] Cc1ccc(/C=C/C(=O)N2CCN(CC2)C[*:1])cc1Cl
CC(=O)Nc1c(C)cc(NCc2[nH]cc[nH+]2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NCc1[nH]cc[nH+]1
CCC[C@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 CCC[*:1] C[C@H]([NH2+]C1CCN(CC1)[C@H](C)c1ccncc1)[*:1]
CCC[C@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 c1cc(ccn1)[*:1] CCC[C@H](C)[NH2+]C1CCN(CC1)[C@H](C)[*:1]
CCOc1ccc(CN2CCOC[C@@H]2CC)cc1OC CCO[*:1] CC[C@H]1COCCN1Cc1ccc(c(c1)OC)[*:1]
CC[C@H](C)N(C)C(=O)CN1C(=O)NC(C)(C)C1=O CC[C@H](C)[*:1] CN(C(=O)CN1C(=O)NC(C)(C)C1=O)[*:1]
O=C(CCc1ncc(-c2ccccc2F)o1)Nn1cnc2ccccc21 Fc1ccccc1[*:1] O=C(CCc1ncc(o1)[*:1])Nn1cnc2ccccc21
C[C@H]1CN(Cc2c(Cl)nc3sccn23)[C@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] C[C@H]1CN(Cc2c(Cl)nc3sccn23)[C@H](CO1)[*:1]
CCn1c(=O)c2sccc2n(Cc2cc(C(=O)OC)ccc2OC)c1=O COC(=O)[*:1] CCn1c(=O)c2sccc2n(Cc2cc(ccc2OC)[*:1])c1=O
CCc1ccc(N2C[C@@H](C(=O)Nc3cc4c(cc3Br)OCCO4)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(Nc1cc2OCCOc2cc1Br)[C@H]1CC(=O)N(C1)[*:1]
CCOC1CCN(/C(NC[C@@H](C)N2CCc3sccc3C2)=[NH+]\C)CC1 CCO[*:1] C/[NH+]=C(/NC[C@@H](C)N1CCc2sccc2C1)N1CCC(CC1)[*:1]
CCCCCO[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 CCC[*:1] [NH3+][C@@H]1CCC2(C[C@H]1OCC[*:1])OCCO2
CCCCCO[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 CCCCC[*:1] [NH3+][C@@H]1CCC2(C[C@H]1O[*:1])OCCO2
CCCCCO[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 CCCC[*:1] [NH3+][C@@H]1CCC2(C[C@H]1OC[*:1])OCCO2
C[C@@H](NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C[C@@H](NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)[*:1]
C[C@@H](NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 FC(F)(F)[*:1] C[C@@H](NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(c1)[*:1])c1ccc2OCCOc2c1
COCCCNC(=O)C1=CC2=c3ccccc3=[NH+][C@@H]2C(c2ccc(OC)cc2)=N1 COc1ccc(cc1)[*:1] COCCCNC(=O)C1=CC2=c3ccccc3=[NH+][C@@H]2C(=N1)[*:1]
COCCCNC(=O)C1=CC2=c3ccccc3=[NH+][C@@H]2C(c2ccc(OC)cc2)=N1 COCCCNC(=O)[*:1] COc1ccc(cc1)C1=NC(=CC2=c3ccccc3=[NH+][C@H]12)[*:1]
COCCCNC(=O)C1=CC2=c3ccccc3=[NH+][C@@H]2C(c2ccc(OC)cc2)=N1 COCC[*:1] COc1ccc(cc1)C1=NC(=CC2=c3ccccc3=[NH+][C@H]12)C(=O)NC[*:1]
COCCCNC(=O)C1=CC2=c3ccccc3=[NH+][C@@H]2C(c2ccc(OC)cc2)=N1 COC[*:1] COc1ccc(cc1)C1=NC(=CC2=c3ccccc3=[NH+][C@H]12)C(=O)NCC[*:1]
COCCCNC(=O)C1=CC2=c3ccccc3=[NH+][C@@H]2C(c2ccc(OC)cc2)=N1 COCCC[*:1] COc1ccc(cc1)C1=NC(=CC2=c3ccccc3=[NH+][C@H]12)C(=O)N[*:1]
CC(=O)Nc1cccc(OC(=O)c2cnn(-c3ccccc3)c2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)OC(=O)c1cnn(c1)[*:1]
CC(=O)Nc1cccc(OC(=O)c2cnn(-c3ccccc3)c2)c1 CC(=O)N[*:1] O=C(Oc1cccc(c1)[*:1])c1cnn(c1)-c1ccccc1
CCOc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 CCOc1ccc(cc1)[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@H]3[*:1]
CCOc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 CCO[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@H]3c1ccc(cc1)[*:1]
Cc1ccc(-n2nnnc2SCCC(=O)Nc2c(Cl)cccc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(CCSc1nnnn1[*:1])Nc1c(Cl)cccc1Cl
Cc1ccc(-n2nnnc2SCCC(=O)Nc2c(Cl)cccc2Cl)cc1 Clc1cccc(Cl)c1[*:1] Cc1ccc(cc1)-n1nnnc1SCCC(=O)N[*:1]
Cc1cc(NC(=O)C[NH2+][C@@H](C)C(C)(C)C)on1 CC(C)(C)[*:1] Cc1cc(NC(=O)C[NH2+][C@@H](C)[*:1])on1
CCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H]1c1ccc(C)s1 Cc1ccc(s1)[*:1] CCN(CC(C)(C)O)C(=O)[C@H]1C[C@H]1[*:1]
CCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H]1c1ccc(C)s1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)[C@H]1C[C@@H]1c1ccc(C)s1
CCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H]1c1ccc(C)s1 CC(C)(O)C[*:1] CCN(C(=O)[C@H]1C[C@@H]1c1ccc(C)s1)[*:1]
CCN(CC(=O)Nc1ccc(OC)cc1OC)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC(=O)Nc1ccc(cc1OC)OC)[*:1]
CN(Cc1ccsc1)C(=O)C[NH2+][C@@H]1CCc2ncnn2C1 c1cc(cs1)C[*:1] CN(C(=O)C[NH2+][C@@H]1CCc2ncnn2C1)[*:1]
CN(Cc1ccsc1)C(=O)C[NH2+][C@@H]1CCc2ncnn2C1 c1cc(cs1)[*:1] CN(C[*:1])C(=O)C[NH2+][C@@H]1CCc2ncnn2C1
COC(=O)[C@H]1CN(S(=O)(=O)[C@@H](C)C#N)C[C@H]1C C[C@@H](C#N)[*:1] COC(=O)[C@H]1CN(C[C@H]1C)S(=O)(=O)[*:1]
COC(=O)[C@H]1CN(S(=O)(=O)[C@@H](C)C#N)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@@H]1[*:1])S(=O)(=O)[C@@H](C)C#N
Cc1cc(-c2nc(-c3cnccn3)no2)c(C)n1C1CC1 c1cnc(cn1)[*:1] Cc1cc(-c2nc(no2)[*:1])c(C)n1C1CC1
Cc1cc(-c2nc(-c3cnccn3)no2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(-c2nc(no2)-c2cnccn2)c(C)n1[*:1]
O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1ccc(Cl)cc1F Clc1ccc(cc1)C[*:1] O=C(Cn1nc2c(nccn2c1=O)S[*:1])Nc1ccc(Cl)cc1F
O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1ccc(Cl)cc1F Clc1ccc(cc1)CS[*:1] O=C(Cn1nc2c(nccn2c1=O)[*:1])Nc1ccc(Cl)cc1F
O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1ccc(Cl)cc1F Clc1ccc(cc1)[*:1] O=C(Cn1nc2c(nccn2c1=O)SC[*:1])Nc1ccc(Cl)cc1F
O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] O=C(Cn1nc2c(nccn2c1=O)SCc1ccc(Cl)cc1)N[*:1]
O=C(CCl)Nc1nc(-c2ccco2)cs1 O=C(CCl)N[*:1] c1coc(c1)-c1csc(n1)[*:1]
O=C(CCl)Nc1nc(-c2ccco2)cs1 c1coc(c1)[*:1] O=C(CCl)Nc1nc(cs1)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(Cc1cccc(Cl)c1)C(=O)c1ccc(c(c1)[*:1])S(C)(=O)=O
CN(Cc1cccc(Cl)c1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 CS(=O)(=O)[*:1] CN(Cc1cccc(Cl)c1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN(Cc1cccc(Cl)c1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)c1ccc(c(c1)[N+](=O)[O-])S(C)(=O)=O
CN(Cc1cccc(Cl)c1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 Clc1cccc(c1)C[*:1] CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])S(C)(=O)=O)[*:1]
CC(C)NC(=[NH2+])[C@@H]1CN(C)CCO1 CC(C)[*:1] CN1CCO[C@@H](C1)C(=[NH2+])N[*:1]
Cc1ccccc1-c1nnc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)o1 Cc1ccccc1[*:1] Cc1c(Cl)cnc(NC(=O)CSc2nnc(o2)[*:1])c1Cl
CC(=O)Nc1ccc(OC(=O)c2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] CC(=O)Nc1ccc(cc1)OC(=O)c1cccc(c1)[*:1]
CC(=O)Nc1ccc(OC(=O)c2cccc(C(F)(F)F)c2)cc1 CC(=O)N[*:1] O=C(Oc1ccc(cc1)[*:1])c1cccc(c1)C(F)(F)F
Cc1cc(F)ccc1CCNCc1cnco1 c1ncc(o1)[*:1] Cc1cc(F)ccc1CCNC[*:1]
O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(CCn2cccn2)CC1 Clc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)CCn1cccn1
O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(CCn2cccn2)CC1 c1cnn(c1)[*:1] O=C([C@H]1CC(=O)N(C1)c1ccc(Cl)cc1)N1CCN(CC1)CC[*:1]
O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(CCn2cccn2)CC1 c1cnn(c1)C[*:1] O=C([C@H]1CC(=O)N(C1)c1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(CCn2cccn2)CC1 c1cnn(c1)CC[*:1] O=C([C@H]1CC(=O)N(C1)c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
COc1ccccc1COC1CCN(C(=O)NC[C@H]2CCO[C@H]2C(C)C)CC1 COc1ccccc1C[*:1] CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(CC1)O[*:1]
COc1ccccc1COC1CCN(C(=O)NC[C@H]2CCO[C@H]2C(C)C)CC1 CC(C)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)NC[C@H]1CCO[C@@H]1[*:1]
COc1ccccc1COC1CCN(C(=O)NC[C@H]2CCO[C@H]2C(C)C)CC1 COc1ccccc1[*:1] CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(CC1)OC[*:1]
C[C@@H]1C(=O)N(C[C@H](O)COCc2ccccc2)C(=O)[C@H]1C c1ccc(cc1)C[*:1] C[C@@H]1C(=O)N(C[C@H](O)CO[*:1])C(=O)[C@H]1C
C[C@@H]1C(=O)N(C[C@H](O)COCc2ccccc2)C(=O)[C@H]1C c1ccc(cc1)[*:1] C[C@@H]1C(=O)N(C[C@H](O)COC[*:1])C(=O)[C@H]1C
C[NH+](Cc1ccc(Cl)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 Clc1ccc(cc1)C[*:1] C[NH+](Cn1cnc(n1)-c1cccc(c1)[N+](=O)[O-])[*:1]
C[NH+](Cc1ccc(Cl)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] C[NH+](Cc1ccc(Cl)cc1)Cn1cnc(n1)-c1cccc(c1)[*:1]
C[NH+](Cc1ccc(Cl)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 Clc1ccc(cc1)[*:1] C[NH+](Cn1cnc(n1)-c1cccc(c1)[N+](=O)[O-])C[*:1]
CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ncc(Cl)cc1Cl CC(C)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])C(=O)Nc1ncc(Cl)cc1Cl
O=C(NCc1cccc(CN2CCCC2=O)c1)[C@H]1C[C@H]2CC[C@@H]1O2 O=C1CCCN1[*:1] O=C(NCc1cccc(c1)C[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
O=C(NCc1cccc(CN2CCCC2=O)c1)[C@H]1C[C@H]2CC[C@@H]1O2 O=C1CCCN1C[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
CCCCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[C@@H](C)CC CCC[*:1] CC[C@H](C)N(C[*:1])C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O
CCCCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[C@@H](C)CC CC[C@H](C)[*:1] CCCCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[*:1]
CCCCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[C@@H](C)CC CCCC[*:1] CC[C@H](C)N(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[*:1]
COC(=O)c1occc1CSc1cc(OC)ccc1N COC(=O)[*:1] COc1ccc(N)c(c1)SCc1ccoc1[*:1]
Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1C[*:1])C(=O)NCc1ccccc1
Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)N[*:1]
Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC[*:1]
Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1 O=C(NCc1ccccc1)[*:1] Cc1ccc(cc1)CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)[*:1]
Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1 Cc1ccc(cc1)C[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1[*:1])C(=O)NCc1ccccc1
CC[C@@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C1CCOCC1 O=[N+]([O-])[*:1] CC[C@@H](Nc1ccc(cc1[*:1])S(=O)(=O)NC)C1CCOCC1
CC[C@@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C1CCOCC1 C1CC(CCO1)[*:1] CC[C@@H](Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NC)[*:1]
CC[C@@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C1CCOCC1 CNS(=O)(=O)[*:1] CC[C@@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])C1CCOCC1
O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)NN1CCOCC1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CC(=O)N(C1)[*:1])NN1CCOCC1
O=C(CCCn1ccnn1)N[C@H]1C[C@@H]2CCCc3cccc1c32 c1cn(nn1)[*:1] O=C(CCC[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
O=C(CCCn1ccnn1)N[C@H]1C[C@@H]2CCCc3cccc1c32 c1cn(C[*:1])nn1 O=C(CC[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
O=C(CCCn1ccnn1)N[C@H]1C[C@@H]2CCCc3cccc1c32 c1cn(CC[*:1])nn1 O=C(C[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
O=C(CS[C@@H]1N=C(c2cccc(Cl)c2)N=C2CC(=O)NN21)NCCC1[NH+]=c2ccccc2=[NH+]1 Clc1cccc(c1)[*:1] O=C(CS[C@@H]1N=C(N=C2CC(=O)NN21)[*:1])NCCC1[NH+]=c2ccccc2=[NH+]1
Cc1cnc([C@H](NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H](NC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1)[*:1]
Cc1cnc([C@H](NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)C2CC2)s1 Fc1cccc(c1)[*:1] Cc1cnc(s1)[C@H](NC(=O)N1C[C@@H](C)C[C@H]1[*:1])C1CC1
Cc1cnc([C@H](NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)C2CC2)s1 Cc1cnc(s1)[*:1] C[C@H]1C[C@H](c2cccc(F)c2)N(C1)C(=O)N[C@H](C1CC1)[*:1]
O=C(NC[C@H]1Cc2cc(F)ccc2O1)c1ccccc1F Fc1ccccc1[*:1] O=C(NC[C@H]1Cc2cc(F)ccc2O1)[*:1]
O=C(NCc1ncccc1F)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCc1ncccc1F)c1ncccc1[*:1]
O=C(NCc1ncccc1F)c1ncccc1C(F)(F)F Fc1cccnc1[*:1] O=C(NC[*:1])c1ncccc1C(F)(F)F
COC[C@H](O)CC[C@H]1COc2ccccc21 COC[*:1] O[C@H](CC[C@H]1COc2ccccc21)[*:1]
COC[C@H](O)CC[C@H]1COc2ccccc21 COC[C@H](O)[*:1] c1ccc2c(c1)OC[C@@H]2CC[*:1]
CC(C)[C@H](CNC(=O)N1CCCSCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](CNC(=O)N1CCCSCC1)[*:1]
CC(C)[C@H](CNC(=O)N1CCCSCC1)c1ccccc1 CC(C)[*:1] O=C(NC[C@H](c1ccccc1)[*:1])N1CCCSCC1
Cc1nc(N2CC[C@](O)(C(F)(F)F)C2)nc(C)c1CC(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[*:1])N1CC[C@@](O)(C1)C(F)(F)F
Cc1nc(N2CC[C@](O)(C(F)(F)F)C2)nc(C)c1CC(C)C CC(C)C[*:1] Cc1nc(nc(C)c1[*:1])N1CC[C@@](O)(C1)C(F)(F)F
Cc1nc(N2CC[C@](O)(C(F)(F)F)C2)nc(C)c1CC(C)C FC(F)(F)[*:1] Cc1nc(nc(C)c1CC(C)C)N1CC[C@](O)(C1)[*:1]
Cc1nn(C(C)C)c(C)c1NC(=O)NCC(C)(C)C[C@@H](C)O CC(C)[*:1] Cc1nn(c(C)c1NC(=O)NCC(C)(C)C[C@@H](C)O)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)c1ccnc(-n2cncn2)c1 c1ncn(n1)[*:1] CC[C@H](Cc1ccc(C)cc1)NC(=O)c1ccnc(c1)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)c1ccnc(-n2cncn2)c1 Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)c1ccnc(c1)-n1cncn1
CC[C@H](Cc1ccc(C)cc1)NC(=O)c1ccnc(-n2cncn2)c1 Cc1ccc(cc1)C[*:1] CC[C@H](NC(=O)c1ccnc(c1)-n1cncn1)[*:1]
N#C[C@H](C(=O)c1ccc(N2CCCCC2=O)cc1)c1nc2ccccc2[nH]1 O=C1CCCCN1[*:1] N#C[C@H](C(=O)c1ccc(cc1)[*:1])c1nc2ccccc2[nH]1
N#C[C@H](C(=O)c1ccc(N2CCCCC2=O)cc1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] N#C[C@H](C(=O)c1ccc(cc1)N1CCCCC1=O)[*:1]
CC[C@@H](C)N(C)c1cccc(Cl)c1CO CC[C@@H](C)[*:1] CN(c1cccc(Cl)c1CO)[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccccc3Cl)nnc12 Clc1ccccc1[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)SCC(=O)NC[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccccc3Cl)nnc12 C=CC[*:1] O=C(CSc1nnc2n(c(=O)c3ccccc3n12)[*:1])NCc1ccccc1Cl
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccccc3Cl)nnc12 Clc1ccccc1C[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)SCC(=O)N[*:1]
O=C(N[C@H](CO)c1ccccc1F)[C@@H]1C[C@@H]1c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] O=C(N[C@H](CO)c1ccccc1F)[C@@H]1C[C@H]1[*:1]
O=C(N[C@H](CO)c1ccccc1F)[C@@H]1C[C@@H]1c1c(F)cccc1Cl Fc1ccccc1[*:1] O=C(N[C@H](CO)[*:1])[C@@H]1C[C@@H]1c1c(F)cccc1Cl
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(CCO)CC1 OCC[*:1] CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(CC1)[*:1]
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(CCO)CC1 O=C([O-])[*:1] CC1(C)[C@@H](C(=O)N2CCN(CCO)CC2)[C@H]1[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)[*:1])C(=O)NCc1ccc2OCCOc2c1
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc2c(c1)OCCO2 O=C(N[*:1])c1ccccc1 CC[C@H](C)[C@H](C(=O)NCc1ccc2OCCOc2c1)[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc2c(c1)OCCO2 CC[C@H](C)[*:1] O=C(N[C@H](C(=O)NCc1ccc2OCCOc2c1)[*:1])c1ccccc1
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(Cl)cc12 O=C(c1ccco1)[*:1] CN1C[C@H](c2cccc(c2)[N+](=O)[O-])[C@H]([C@]12C(=O)Nc1ccc(Cl)cc12)[*:1]
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(Cl)cc12 c1coc(c1)[*:1] CN1C[C@H](c2cccc(c2)[N+](=O)[O-])[C@H](C(=O)[*:1])[C@]12C(=O)Nc1ccc(Cl)cc12
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(Cl)cc12 O=[N+]([O-])[*:1] CN1C[C@H](c2cccc(c2)[*:1])[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(Cl)cc12
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(Cl)cc12 O=[N+]([O-])c1cccc(c1)[*:1] CN1C[C@H]([C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(Cl)cc12)[*:1]
Cc1cc(N2CCC[C@@H]2c2cncc(-n3ccnc3)n2)ncn1 c1cn(cn1)[*:1] Cc1cc(ncn1)N1CCC[C@@H]1c1cncc(n1)[*:1]
Cc1cc(N2CCC[C@@H]2c2cncc(-n3ccnc3)n2)ncn1 Cc1cc(ncn1)[*:1] c1cn(cn1)-c1cncc(n1)[C@H]1CCCN1[*:1]
CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1F CCOC(=O)[*:1] CC1NC(=O)C[C@@H](C=1[*:1])c1ccccc1F
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1nc(Cl)ccc1Cl Clc1ccc(cc1Cl)[*:1] CN(CC(=O)N[*:1])C(=O)c1nc(Cl)ccc1Cl
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1nc(Cl)ccc1Cl Clc1ccc(Cl)c(n1)[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[*:1]
Cc1ccc(C)c(-c2cn3nc([C@@H]4CCCO4)sc3n2)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(C)c(c1)-c1cn2nc(sc2n1)[*:1]
c1c[nH+]c(N2CCCC2)c(NCc2c[nH+]cn2C2CC2)c1 C1CCN(C1)[*:1] c1c[nH+]c(c(c1)NCc1c[nH+]cn1C1CC1)[*:1]
c1c[nH+]c(N2CCCC2)c(NCc2c[nH+]cn2C2CC2)c1 C1CC1[*:1] c1c[nH+]c(c(c1)NCc1c[nH+]cn1[*:1])N1CCCC1
Cc1cc(C)nc(Nc2nc(C(=O)Nc3ccc4c(c3)OCO4)cs2)n1 Cc1cc(C)nc(n1)[*:1] O=C(Nc1ccc2OCOc2c1)c1csc(n1)N[*:1]
CC(C)Cn1c(=O)c2sccc2n2c(CCC(=O)N3CCC(C)CC3)nnc12 CC1CCN(CC1)C(=O)[*:1] CC(C)Cn1c(=O)c2sccc2n2c(CC[*:1])nnc12
CC(C)Cn1c(=O)c2sccc2n2c(CCC(=O)N3CCC(C)CC3)nnc12 CC(C)C[*:1] CC1CCN(CC1)C(=O)CCc1nnc2n(c(=O)c3sccc3n12)[*:1]
CC(C)Cn1c(=O)c2sccc2n2c(CCC(=O)N3CCC(C)CC3)nnc12 CC(C)[*:1] CC1CCN(CC1)C(=O)CCc1nnc2n(C[*:1])c(=O)c3sccc3n12
CC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1 Clc1ccccc1[*:1] CC(=O)N1CCN(CC1)C(=O)c1cnn(c1)[*:1]
CCn1nc(CC(C)C)cc1C(=O)N1CCN(c2ccccc2C)C[C@@H]1C Cc1ccccc1[*:1] CCn1nc(cc1C(=O)N1CCN(C[C@@H]1C)[*:1])CC(C)C
CCn1nc(CC(C)C)cc1C(=O)N1CCN(c2ccccc2C)C[C@@H]1C CC(C)C[*:1] CCn1nc(cc1C(=O)N1CCN(C[C@@H]1C)c1ccccc1C)[*:1]
CCn1nc(CC(C)C)cc1C(=O)N1CCN(c2ccccc2C)C[C@@H]1C CC(C)[*:1] CCn1nc(cc1C(=O)N1CCN(C[C@@H]1C)c1ccccc1C)C[*:1]
COCCN(CC(F)F)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C COCC[*:1] C[C@H](NC(=O)N(CC(F)F)[*:1])C(=O)N1CCCC[C@H]1C
COCCN(CC(F)F)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C FC(F)[*:1] COCCN(C[*:1])C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C
COCCN(CC(F)F)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C COC[*:1] C[C@H](NC(=O)N(CC(F)F)C[*:1])C(=O)N1CCCC[C@H]1C
COCCN(CC(F)F)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C FC(F)C[*:1] COCCN(C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C)[*:1]
C/C(=N/O)C(C)(C)Nc1cccc(Br)c1 CC(=NO)[*:1] CC(C)(Nc1cccc(Br)c1)[*:1]
CN1C[C@@H](C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)CC1=O CN1C[C@@H](CC1=O)[*:1] O=C(N1CCC[C@@H]1Cc1cccc(F)c1)[*:1]
CN1C[C@@H](C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)CC1=O Fc1cccc(c1)[*:1] CN1C[C@H](CC1=O)C(=O)N1CCC[C@@H]1C[*:1]
Clc1cccc([C@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)c1 Ic1ccc(cc1)[*:1] Clc1cccc(c1)[C@H]1CC(=Nc2ncnn21)[*:1]
Clc1cccc([C@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)c1 Clc1cccc(c1)[*:1] Ic1ccc(cc1)C1C[C@@H](n2ncnc2N=1)[*:1]
C[C@H](OCCCNC(=O)c1ccc(F)c(F)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](OCCCNC(=O)c1ccc(F)c(F)c1)[*:1]
CC(=O)O[C@@H]1C[C@]2(C)[C@H](O)CC(C)=C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]2[C@]1(O)C(C)C Oc1ccc(cc1)[*:1] CC(=O)O[C@@H]1C[C@]2(C)[C@H](O)CC(C)=C[C@H](OC(=O)[*:1])[C@@H]2[C@]1(O)C(C)C
CC(=O)O[C@@H]1C[C@]2(C)[C@H](O)CC(C)=C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]2[C@]1(O)C(C)C O=C(O[*:1])c1ccc(O)cc1 CC(=O)O[C@@H]1C[C@]2(C)[C@H](O)CC(C)=C[C@H]([C@@H]2[C@]1(O)C(C)C)[*:1]
CC(=O)O[C@@H]1C[C@]2(C)[C@H](O)CC(C)=C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]2[C@]1(O)C(C)C CC(=O)O[*:1] CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@H]2[C@](C)(C[C@H]([C@@]2(O)C(C)C)[*:1])[C@H](O)C1
CS(=O)(=O)Cc1cccc(C(=O)NC[C@@H]2CCOC2)c1 C1C[C@H](CO1)C[*:1] CS(=O)(=O)Cc1cccc(c1)C(=O)N[*:1]
CS(=O)(=O)Cc1cccc(C(=O)NC[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] CS(=O)(=O)Cc1cccc(c1)C(=O)NC[*:1]
CS(=O)(=O)Cc1cccc(C(=O)NC[C@@H]2CCOC2)c1 CS(=O)(=O)[*:1] O=C(NC[C@@H]1CCOC1)c1cccc(c1)C[*:1]
CS(=O)(=O)Cc1cccc(C(=O)NC[C@@H]2CCOC2)c1 CS(=O)(=O)C[*:1] O=C(NC[C@@H]1CCOC1)c1cccc(c1)[*:1]
CC(C)[NH2+][C@@H](CSc1cccc(F)c1)C(=O)[O-] O=C([O-])[*:1] CC(C)[NH2+][C@@H](CSc1cccc(F)c1)[*:1]
CC(C)[NH2+][C@@H](CSc1cccc(F)c1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H](CSc1cccc(F)c1)[NH2+][*:1]
CCCNc1nc(CCC)cc(=O)[nH]1 CCC[*:1] CCCNc1nc(cc(=O)[nH]1)[*:1]
CCCNc1nc(CCC)cc(=O)[nH]1 CCCN[*:1] CCCc1cc(=O)[nH]c(n1)[*:1]
CCCNc1nc(CCC)cc(=O)[nH]1 CCC[*:1] CCCc1cc(=O)[nH]c(n1)N[*:1]
CCOc1ccc(-n2ncc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2C)nn1 CCO[*:1] Cc1c(cnn1-c1ccc(nn1)[*:1])C(=O)N1C[C@H](C)O[C@@H](C)C1
CCCn1c(C)cc(C(=O)CN2CCC(NC(=O)c3ccsc3)CC2)c1C CCC[*:1] Cc1cc(C(=O)CN2CCC(CC2)NC(=O)c2ccsc2)c(C)n1[*:1]
CCCn1c(C)cc(C(=O)CN2CCC(NC(=O)c3ccsc3)CC2)c1C O=C(N[*:1])c1ccsc1 CCCn1c(C)cc(C(=O)CN2CCC(CC2)[*:1])c1C
CCCn1c(C)cc(C(=O)CN2CCC(NC(=O)c3ccsc3)CC2)c1C c1cc(cs1)[*:1] CCCn1c(C)cc(C(=O)CN2CCC(CC2)NC(=O)[*:1])c1C
CCC[C@H](NC(=O)Cn1c(=O)oc2cc(Cl)ccc21)c1cccs1 CCC[*:1] O=C(Cn1c(=O)oc2cc(Cl)ccc21)N[C@H](c1cccs1)[*:1]
CCC[C@H](NC(=O)Cn1c(=O)oc2cc(Cl)ccc21)c1cccs1 c1csc(c1)[*:1] CCC[C@H](NC(=O)Cn1c(=O)oc2cc(Cl)ccc21)[*:1]
CCCc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 CCC[*:1] N#Cc1nc([n-]c1C#N)NC(=O)c1ccc(cc1)[*:1]
CCC(CC)(Nc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] O=[N+]([O-])[*:1] CCC(CC)(Nc1cc(C)ccc1[*:1])C(=O)[O-]
CCC(CC)(Nc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] O=C([O-])[*:1] CCC(CC)(Nc1cc(C)ccc1[N+](=O)[O-])[*:1]
CSc1ccc(NC(=O)NC[C@@H](C)CC2(C)OCCO2)cc1F CC1(OCCO1)[*:1] CSc1ccc(cc1F)NC(=O)NC[C@@H](C)C[*:1]
CSc1ccc(NC(=O)NC[C@@H](C)CC2(C)OCCO2)cc1F CC1(C[*:1])OCCO1 CSc1ccc(cc1F)NC(=O)NC[C@@H](C)[*:1]
CN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCN(C1)C(=O)O[*:1]
CN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 Clc1ncc(c(Cl)n1)[*:1] CN(C[C@@H]1CCCN(C1)C(=O)OC(C)(C)C)C[*:1]
O=C(COCc1ccccc1)NCC1(O)CCOCC1 c1ccc(cc1)[*:1] O=C(COC[*:1])NCC1(O)CCOCC1
C[NH+](C)CC1CC[NH+](CCO)CC1 OCC[*:1] C[NH+](C)CC1CC[NH+](CC1)[*:1]
C[NH+](C)CC1CC[NH+](CCO)CC1 C[NH+](C)C[*:1] OCC[NH+]1CCC(CC1)[*:1]
Cc1cc(=O)oc2cc(OCCl)ccc12 ClCO[*:1] Cc1cc(=O)oc2cc(ccc12)[*:1]
O=C(C[S@](=O)Cc1ccccc1)N1CCc2sccc2C1 c1ccc(cc1)C[*:1] O=C(C[S@](=O)[*:1])N1CCc2sccc2C1
O=C(C[S@](=O)Cc1ccccc1)N1CCc2sccc2C1 c1ccc(cc1)[*:1] O=C(C[S@](=O)C[*:1])N1CCc2sccc2C1
CO/C(=C(\C#N)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CO/C(=C(\C#N)c1ccccc1)[*:1]
CO/C(=C(\C#N)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CO/C(=C(\C#N)[*:1])c1ccccc1
O=C(CN1CC(=O)Oc2ccccc21)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 c1coc(c1)[*:1] O=C(CN1CC(=O)Oc2ccccc21)Nc1cccc(c1)S(=O)(=O)NC[*:1]
O=C(CN1CC(=O)Oc2ccccc21)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 O=S(=O)(NCc1ccco1)[*:1] O=C(CN1CC(=O)Oc2ccccc21)Nc1cccc(c1)[*:1]
O=C(CN1CC(=O)Oc2ccccc21)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] O=C(CN1CC(=O)Oc2ccccc21)Nc1cccc(c1)S(=O)(=O)N[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])[C@@H](NC(C)=O)C1CCCC1 C1CCC(C1)[*:1] CCC(CC)S(=O)(=O)/N=C(\[O-])[C@@H](NC(C)=O)[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])[C@@H](NC(C)=O)C1CCCC1 CCC(CC)[*:1] CC(=O)N[C@H](/C([O-])=N/S(=O)(=O)[*:1])C1CCCC1
CCC(CC)S(=O)(=O)/N=C(\[O-])[C@@H](NC(C)=O)C1CCCC1 CC(=O)N[*:1] CCC(CC)S(=O)(=O)/N=C(\[O-])[C@@H](C1CCCC1)[*:1]
O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCCCC[C@@H]1c1ccncc1 Fc1ccc(cc1)[*:1] O=C([C@H]1C[C@H]1[*:1])N1CCCCC[C@@H]1c1ccncc1
O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCCCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCCCC[C@H]1[*:1]
COc1ccc(-n2cnnc2SCC(=O)NC2(C)Cc3ccccc3C2)cc1 COc1ccc(cc1)[*:1] CC1(Cc2ccccc2C1)NC(=O)CSc1nncn1[*:1]
Cc1cc(C(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)n1Cc1ccco1 CC(C)(C)[*:1] Cc1cc(C(=O)N[C@H](C)C(=O)N[*:1])c(C)n1Cc1ccco1
Cc1cc(C(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)n1Cc1ccco1 CC(C)(C)NC(=O)[*:1] Cc1cc(C(=O)N[C@H](C)[*:1])c(C)n1Cc1ccco1
Cc1cc(C(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)n1Cc1ccco1 c1coc(c1)[*:1] Cc1cc(C(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)n1C[*:1]
Cc1cc(C(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1cc(C(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)n1[*:1]
COC(=O)c1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(C#N)c1C COC(=O)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1sc(c(C)c1C#N)[*:1]
COCc1c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)sc2cccc(F)c12 COC[*:1] O=C(Nc1ccc2nc(sc2c1)N1CCOCC1)c1sc2cccc(F)c2c1[*:1]
COCc1c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)sc2cccc(F)c12 C1CN(CCO1)[*:1] COCc1c(sc2cccc(F)c12)C(=O)Nc1ccc2nc(sc2c1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3nnc4n3CCC4)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1nnc2CCCn21)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3nnc4n3CCC4)C2)cc1 C1Cc2nnc(n2C1)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3nnc4n3CCC4)C2)cc1 C1Cc2nnc(C[*:1])n2C1 Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
NC1=Nc2nc3ccccc3n2[C@H](c2cnc(-c3cccs3)s2)N1 c1csc(c1)[*:1] NC1=Nc2nc3ccccc3n2[C@@H](N1)c1cnc(s1)[*:1]
COc1ccccc1N1CCN(C(=O)CCn2ncc3c(Cl)cccc32)CC1 COc1ccccc1[*:1] O=C(CCn1ncc2c(Cl)cccc21)N1CCN(CC1)[*:1]
C=C(C)CO/N=C/c1cc(OC)ccc1OC C=C(C)[*:1] COc1ccc(OC)c(/C=N/OC[*:1])c1
C=C(C)CO/N=C/c1cc(OC)ccc1OC C=C(C)C[*:1] COc1ccc(OC)c(/C=N/O[*:1])c1
Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)c(=O)[nH]1 c1cn(cn1)[*:1] Cc1ccc(C(=O)NCc2ccccc2[*:1])c(=O)[nH]1
CCOc1ccc2nc(C[C@H]3CCC[NH2+]3)sc2c1 CCO[*:1] c1cc2nc(C[C@H]3CCC[NH2+]3)sc2cc1[*:1]
CC(=O)N[C@]1(CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N(C(C)C)c2ccccc21 CC(=O)c1ccc(cc1)[*:1] CC(=O)N[C@]1(CC(=O)N[*:1])C(=O)N(c2ccccc21)C(C)C
CC(=O)N[C@]1(CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N(C(C)C)c2ccccc21 CC(=O)N[*:1] CC(=O)c1ccc(cc1)NC(=O)C[C@@]1(C(=O)N(c2ccccc21)C(C)C)[*:1]
CC(=O)N[C@]1(CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N(C(C)C)c2ccccc21 CC(=O)[*:1] CC(=O)N[C@]1(CC(=O)Nc2ccc(cc2)[*:1])C(=O)N(c2ccccc21)C(C)C
CC(=O)N[C@]1(CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N(C(C)C)c2ccccc21 CC(C)[*:1] CC(=O)N[C@]1(CC(=O)Nc2ccc(cc2)C(C)=O)C(=O)N(c2ccccc21)[*:1]
O=C([O-])c1cn(Cc2ccc(N3CCCC3=O)cc2)c2cc(F)c(F)cc2c1=O O=C([O-])[*:1] O=C1CCCN1c1ccc(cc1)Cn1cc(c(=O)c2cc(F)c(F)cc21)[*:1]
O=C([O-])c1cn(Cc2ccc(N3CCCC3=O)cc2)c2cc(F)c(F)cc2c1=O O=C1CCCN1[*:1] O=C([O-])c1cn(Cc2ccc(cc2)[*:1])c2cc(F)c(F)cc2c1=O
O=C(CCS(=O)(=O)c1ccccc1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 c1cncc(c1)[*:1] O=C(CCS(=O)(=O)c1ccccc1)N(C[*:1])c1nc2c(F)cccc2s1
O=C(CCS(=O)(=O)c1ccccc1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 c1cncc(c1)C[*:1] O=C(CCS(=O)(=O)c1ccccc1)N(c1nc2c(F)cccc2s1)[*:1]
O=C(CCS(=O)(=O)c1ccccc1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 O=S(=O)(C[*:1])c1ccccc1 O=C(C[*:1])N(Cc1cccnc1)c1nc2c(F)cccc2s1
O=C(CCS(=O)(=O)c1ccccc1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 Fc1cccc2sc(nc12)[*:1] O=C(CCS(=O)(=O)c1ccccc1)N(Cc1cccnc1)[*:1]
O=C(CCS(=O)(=O)c1ccccc1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 c1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])N(Cc1cccnc1)c1nc2c(F)cccc2s1
O=C(CCS(=O)(=O)c1ccccc1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 O=S(=O)(c1ccccc1)[*:1] O=C(CC[*:1])N(Cc1cccnc1)c1nc2c(F)cccc2s1
COc1cc([C@@H]2CC(C)=Nc3c(-c4ccccc4)c(C)nn32)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC(C)=Nc2c(c(C)nn21)[*:1]
CCN[C@H](c1cccnc1C)c1[nH+]ccn1C CCN[*:1] Cc1ncccc1[C@H](c1[nH+]ccn1C)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 CS(=O)(=O)[*:1] O=C(NCc1ccc(cc1)[N+](=O)[O-])N[C@H]1CCC[C@@H](C1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 O=[N+]([O-])[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)NCc1ccc(cc1)[*:1]
Cc1c(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cnn1-c1ccccc1 c1ccc(C[*:1])nc1 Cc1c(cnn1-c1ccccc1)C(=O)N(c1nc2ccc(cc2s1)[N+](=O)[O-])[*:1]
Cc1c(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cnn1-c1ccccc1 c1ccc(nc1)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N(C[*:1])c1nc2ccc(cc2s1)[N+](=O)[O-]
Cc1c(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N(Cc1ccccn1)c1nc2ccc(cc2s1)[N+](=O)[O-]
Cc1c(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cnn1-c1ccccc1 O=[N+]([O-])[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N(Cc1ccccn1)c1nc2ccc(cc2s1)[*:1]
O=C(C[C@@H](O)c1ccccc1)N[C@@H]1CCSc2c(F)cccc21 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N[C@@H]1CCSc2c(F)cccc21
O=c1c(Cl)c(NCc2ccccc2CN2CCOCC2)cnn1-c1nc2ccccc2[nH]1 C1CN(CCO1)C[*:1] O=c1c(Cl)c(cnn1-c1nc2ccccc2[nH]1)NCc1ccccc1[*:1]
O=c1c(Cl)c(NCc2ccccc2CN2CCOCC2)cnn1-c1nc2ccccc2[nH]1 C1CN(CCO1)[*:1] O=c1c(Cl)c(cnn1-c1nc2ccccc2[nH]1)NCc1ccccc1C[*:1]
O=c1c(Cl)c(NCc2ccccc2CN2CCOCC2)cnn1-c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] O=c1c(Cl)c(cnn1[*:1])NCc1ccccc1CN1CCOCC1
CC[C@@H](C(=O)Nc1cc(C)on1)N1CCc2c([nH+]cn2C)C1 Cc1cc(no1)[*:1] CC[C@@H](C(=O)N[*:1])N1CCc2c(C1)[nH+]cn2C
C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 C1CCC(CC1)C[*:1] C[C@@H](NC(=O)[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)S(C)(=O)=O
C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)C[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)S(C)(=O)=O
CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)N2CCOCC2)CC1 O=C(N1CCOCC1)[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(cc1)C(C)C)N1CCC(CC1)[*:1]
CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)N2CCOCC2)CC1 CC(C)c1ccc(cc1)[*:1] CC1C(=NS(=O)(=O)C=1[*:1])N1CCC(CC1)C(=O)N1CCOCC1
CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)N2CCOCC2)CC1 CC(C)[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(cc1)[*:1])N1CCC(CC1)C(=O)N1CCOCC1
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(CC1)[*:1]
O=C(Nc1nc2ccc(F)cn2n1)c1ccn(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] O=C(Nc1nc2ccc(F)cn2n1)c1ccn(n1)[*:1]
CCn1c(SCc2cccnc2)nc2c(c1=O)SCC2 c1cncc(c1)[*:1] CCn1c(nc2CCSc2c1=O)SC[*:1]
O=C1CCCC2=C1[C@@H](c1ccncc1)c1c(ccc3ncccc13)N2 c1cc(ccn1)[*:1] O=C1CCCC2Nc3ccc4ncccc4c3[C@H](C=21)[*:1]
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccco1 FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
CC[C@@H](OC(=O)Cc1c(C)nc(C)[nH]c1=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](OC(=O)Cc1c(C)nc(C)[nH]c1=O)c1cccc(c1)[*:1]
O=C(Nc1ccc(OCc2cc(Cl)c3c(c2)OCCO3)cc1)C1CC1 C1CC1[*:1] O=C(Nc1ccc(cc1)OCc1cc(Cl)c2OCCOc2c1)[*:1]
O=C(Nc1ccc(OCc2cc(Cl)c3c(c2)OCCO3)cc1)C1CC1 O=C(N[*:1])C1CC1 Clc1cc(cc2OCCOc12)COc1ccc(cc1)[*:1]
O=C(NCCOc1cccc(Cl)c1)c1ccc2[nH]cnc2c1 Clc1cccc(c1)[*:1] O=C(NCCO[*:1])c1ccc2[nH]cnc2c1
CCCS(=O)(=O)N1CCc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2C1 CCC[*:1] O=C(NCc1ccc(Cl)cc1)Nc1ccc2CCN(Cc2c1)S(=O)(=O)[*:1]
CCCS(=O)(=O)N1CCc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2C1 Clc1ccc(cc1)C[*:1] CCCS(=O)(=O)N1CCc2ccc(cc2C1)NC(=O)N[*:1]
CCCS(=O)(=O)N1CCc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2C1 Clc1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCc2ccc(cc2C1)NC(=O)NC[*:1]
Cc1ccccc1SCC(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] Cc1ccccc1SCC(=O)N[C@H]1C=C[C@H](C1)[*:1]
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C[C@H]2CCCO2)O1 C1CO[C@H](C1)C[*:1] O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)[*:1])O1
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C[C@H]2CCCO2)O1 O=C([O-])[*:1] O=S(=O)(C[C@H]1CCCO1)NC[C@H]1CC[C@@H](O1)[*:1]
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C[C@H]2CCCO2)O1 C1CO[C@H](C1)[*:1] O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C[*:1])O1
C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)-n1cccn1)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(N2CCCC2=O)cc1 c1cnn(c1)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc(cc1)N1CCCC1=O
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccc4nsnc4c2)CC3)no1 Cc1cc(no1)C(=O)N[*:1] O=C(c1ccc2nsnc2c1)N1CCc2nc(sc2C1)[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccc4nsnc4c2)CC3)no1 Cc1cc(no1)[*:1] O=C(c1ccc2nsnc2c1)N1CCc2nc(NC(=O)[*:1])sc2C1
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccc4nsnc4c2)CC3)no1 c1cc2nsnc2cc1[*:1] Cc1cc(no1)C(=O)Nc1nc2CCN(Cc2s1)C(=O)[*:1]
CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)NS(=O)(=O)[*:1]
CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 CN(C)S(=O)(=O)[*:1] N#Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1 CN(C)S(=O)(=O)[*:1] O=C(CC1CCCC1)NNC(=O)c1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1 C1CCC(C1)C[*:1] CN(C)S(=O)(=O)c1cccc(c1)C(=O)NNC(=O)[*:1]
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2CCCC2)c1 C1CCC(C1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)C(=O)NNC(=O)C[*:1]
COc1cccc2c1OC[C@H](NC(=O)c1ccc(OCC(F)F)nc1)C2 FC(F)[*:1] COc1cccc2C[C@H](COc21)NC(=O)c1ccc(nc1)OC[*:1]
COc1cccc2c1OC[C@H](NC(=O)c1ccc(OCC(F)F)nc1)C2 FC(F)CO[*:1] COc1cccc2C[C@H](COc21)NC(=O)c1ccc(nc1)[*:1]
COc1cccc2c1OC[C@H](NC(=O)c1ccc(OCC(F)F)nc1)C2 FC(F)C[*:1] COc1cccc2C[C@H](COc21)NC(=O)c1ccc(nc1)O[*:1]
COc1ccc(CC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 CC(C)O[*:1] COc1ccc(cc1)CC(=O)Nc1nonc1-c1ccc(cc1)[*:1]
COc1ccc(CC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 COc1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)-c1nonc1NC(=O)C[*:1]
COc1ccc(CC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 CC(C)[*:1] COc1ccc(cc1)CC(=O)Nc1nonc1-c1ccc(cc1)O[*:1]
COc1ccc(CC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 COc1ccc(cc1)C[*:1] CC(C)Oc1ccc(cc1)-c1nonc1NC(=O)[*:1]
COc1c(Cl)cccc1NC(=O)NCC(=O)OC1CCCCC1 C1CCC(CC1)[*:1] COc1c(Cl)cccc1NC(=O)NCC(=O)O[*:1]
Cc1nc(-c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cs1 Cc1nc(cs1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(cc1)[*:1]
CSC1(CNC(=O)N2CCC[C@H](C(C)(C)C)CC2)CCOCC1 CC(C)(C)[*:1] CSC1(CCOCC1)CNC(=O)N1CCC[C@H](CC1)[*:1]
O=C(Nc1c(F)cccc1F)N(C[C@@H]1CCCO1)C1CCCC1 C1CO[C@@H](C1)C[*:1] O=C(Nc1c(F)cccc1F)N(C1CCCC1)[*:1]
O=C(Nc1c(F)cccc1F)N(C[C@@H]1CCCO1)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1c(F)cccc1F)N(C[C@@H]1CCCO1)[*:1]
CCOc1cc(C#N)ccc1OCC(=O)c1ccc2c(c1)CCN2C=O CCO[*:1] N#Cc1ccc(OCC(=O)c2ccc3c(c2)CCN3C=O)c(c1)[*:1]
O=C(OC[C@@H]1CC=CCC1)c1ncccc1OCC(F)(F)F FC(F)(F)[*:1] O=C(OC[C@@H]1CC=CCC1)c1ncccc1OC[*:1]
O=C(OC[C@@H]1CC=CCC1)c1ncccc1OCC(F)(F)F FC(F)(F)C[*:1] O=C(OC[C@@H]1CC=CCC1)c1ncccc1O[*:1]
O=C(OC[C@@H]1CC=CCC1)c1ncccc1OCC(F)(F)F FC(F)(F)CO[*:1] O=C(OC[C@@H]1CC=CCC1)c1ncccc1[*:1]
COc1cccc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1OC O=[N+]([O-])c1ccc(cc1)[*:1] COc1cccc(CN2CC[NH+](CC2)C[*:1])c1OC
COc1cccc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1OC O=[N+]([O-])[*:1] COc1cccc(CN2CC[NH+](CC2)Cc2ccc(cc2)[*:1])c1OC
Cc1ccc(/C=N\n2cnc3sc(C)c(-c4ccccc4)c3c2=O)o1 c1ccc(cc1)[*:1] Cc1ccc(/C=N\n2cnc3sc(C)c(c3c2=O)[*:1])o1
Cc1ccc(/C=N\n2cnc3sc(C)c(-c4ccccc4)c3c2=O)o1 Cc1ccc(o1)[*:1] Cc1sc2ncn(N=C[*:1])c(=O)c2c1-c1ccccc1
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cnc(C(C)(C)C)s1 C[C@H](S(C)(=O)=O)[*:1] C[C@@H](N(C)Cc1cnc(s1)C(C)(C)C)[*:1]
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cnc(C(C)(C)C)s1 CC(C)(C)[*:1] C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cnc(s1)[*:1]
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cnc(C(C)(C)C)s1 CS(=O)(=O)[*:1] C[C@@H]([C@H](C)[*:1])N(C)Cc1cnc(s1)C(C)(C)C
Cc1cc(Br)ccc1NC(=O)CN(C)S(=O)(=O)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)S(=O)(=O)[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)S(=O)(=O)c1cccc(C#N)c1 Cc1cc(Br)ccc1[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1cccc(C#N)c1
COc1cccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)n1 FC(F)O[*:1] COc1cccc(n1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
COc1cccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)n1 FC(F)[*:1] COc1cccc(n1)C(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
CC(C)c1nnnn1CC(=O)N[C@@H]1CCCC[C@@H]1C CC(C)[*:1] C[C@H]1CCCC[C@H]1NC(=O)Cn1nnnc1[*:1]
Cc1nnc(NC(=O)c2coc(NC(=O)c3cccs3)n2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])c1coc(n1)NC(=O)c1cccs1
Cc1nnc(NC(=O)c2coc(NC(=O)c3cccs3)n2)s1 c1csc(c1)[*:1] Cc1nnc(NC(=O)c2coc(n2)NC(=O)[*:1])s1
C[C@@H](NC(=O)c1cc(C(=O)[O-])n(C)n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cc(C(=O)[O-])n(C)n1)[*:1]
C[C@@H](NC(=O)c1cc(C(=O)[O-])n(C)n1)c1ccccc1 O=C([O-])[*:1] C[C@@H](NC(=O)c1cc(n(C)n1)[*:1])c1ccccc1
COCCNC(=O)c1ccc(CSC)cc1 COC[*:1] CSCc1ccc(cc1)C(=O)NC[*:1]
COCCNC(=O)c1ccc(CSC)cc1 CSC[*:1] COCCNC(=O)c1ccc(cc1)[*:1]
COCCNC(=O)c1ccc(CSC)cc1 COCC[*:1] CSCc1ccc(cc1)C(=O)N[*:1]
O=C(c1ccc(Br)cc1)c1cccc(C[NH+]2CCCC2)c1 Brc1ccc(cc1)[*:1] O=C(c1cccc(c1)C[NH+]1CCCC1)[*:1]
CC[C@H](CO)NC(=O)C(=O)Nc1cc(F)ccc1Oc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CO)NC(=O)C(=O)Nc1cc(F)ccc1O[*:1]
CC[C@H](CO)NC(=O)C(=O)Nc1cc(F)ccc1Oc1ccccc1 c1ccc(cc1)O[*:1] CC[C@H](CO)NC(=O)C(=O)Nc1cc(F)ccc1[*:1]
O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c1O c1ccc(nc1)N[*:1] O=c1cc(CO)oc(c1O)[C@@H](c1ccc(Cl)cc1)[*:1]
O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c1O Clc1ccc(cc1)[*:1] O=c1cc(CO)oc(c1O)[C@@H](Nc1ccccn1)[*:1]
O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c1O c1ccc(nc1)[*:1] O=c1cc(CO)oc(c1O)[C@@H](N[*:1])c1ccc(Cl)cc1
Cc1csc(C(C)(C)NC(=O)[C@H](C)CCc2ccccc2F)n1 Cc1csc(n1)[*:1] C[C@H](CCc1ccccc1F)C(=O)NC(C)(C)[*:1]
Cc1csc(C(C)(C)NC(=O)[C@H](C)CCc2ccccc2F)n1 Fc1ccccc1[*:1] Cc1csc(n1)C(C)(C)NC(=O)[C@H](C)CC[*:1]
Cc1ncsc1CN1CCC[C@H]1c1nc(-c2ccccc2)no1 Cc1ncsc1C[*:1] c1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1[*:1]
Cc1ncsc1CN1CCC[C@H]1c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1ncsc1CN1CCC[C@H]1c1nc(no1)[*:1]
Cc1ncsc1CN1CCC[C@H]1c1nc(-c2ccccc2)no1 Cc1ncsc1[*:1] c1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C[*:1]
Cc1csc(C[S@](=O)Cc2coc(-c3ccc(F)c(F)c3)n2)n1 Cc1csc(C[*:1])n1 O=[S@](Cc1coc(n1)-c1ccc(F)c(F)c1)[*:1]
Cc1csc(C[S@](=O)Cc2coc(-c3ccc(F)c(F)c3)n2)n1 Cc1csc(n1)[*:1] O=[S@](Cc1coc(n1)-c1ccc(F)c(F)c1)C[*:1]
Cc1nnc2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nn12 Fc1ccc(F)c(c1)[*:1] Cc1nnc2ccc(nn12)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@H]1C[C@@H]1c1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 O=[N+]([O-])[*:1] C[C@H]1C[C@@H]1c1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)[*:1])o1
C[C@H]1C[C@@H]1c1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1c1ccc(CN2CCN(CC2)C(=O)[*:1])o1
C=CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@@]12C(=O)Nc1ccccc12 C=CCOC(=O)[*:1] CCOC(=O)C1=C(N)OC(C)=C([C@]12C(=O)Nc1ccccc12)[*:1]
C=CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@@]12C(=O)Nc1ccccc12 CCOC(=O)[*:1] C=CCOC(=O)C1=C(C)OC(N)=C([C@@]12C(=O)Nc1ccccc12)[*:1]
C=CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@@]12C(=O)Nc1ccccc12 C=CC[*:1] CCOC(=O)C1=C(N)OC(C)=C(C(=O)O[*:1])[C@]12C(=O)Nc1ccccc12
CCOC(=O)c1cccc(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn23)c1 O=C([O-])c1ccc(cc1)[*:1] CCOC(=O)c1cccc(c1)Nc1c(nc2cnccn12)[*:1]
CCOC(=O)c1cccc(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn23)c1 CCOC(=O)[*:1] O=C([O-])c1ccc(cc1)-c1nc2cnccn2c1Nc1cccc(c1)[*:1]
CCOC(=O)c1cccc(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn23)c1 O=C([O-])[*:1] CCOC(=O)c1cccc(c1)Nc1c(nc2cnccn12)-c1ccc(cc1)[*:1]
Cc1ccc(CC(=O)N2CCN(C(=O)N[C@@H]3CC[C@@H]([NH+](C)C)C3)CC2)cc1 Cc1ccc(cc1)C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(CC(=O)N2CCN(C(=O)N[C@@H]3CC[C@@H]([NH+](C)C)C3)CC2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1[*:1])NC(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(F)cc1
COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1C[*:1])NC(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(F)cc1
COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1Cc1ccccc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1Cc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CCOc1ccccc1C(=O)NC[C@@](C)(O)COC CCO[*:1] COC[C@](C)(O)CNC(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)NC[C@@](C)(O)COC COC[*:1] CCOc1ccccc1C(=O)NC[C@@](C)(O)[*:1]
C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1[nH+]ccn1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](c1nc(N)nc(n1)N(C)C)N(C)Cc1[nH+]ccn1C[*:1]
C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1[nH+]ccn1Cc1ccccc1 CN(C)[*:1] C[C@H](c1nc(N)nc(n1)[*:1])N(C)Cc1[nH+]ccn1Cc1ccccc1
C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1[nH+]ccn1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](c1nc(N)nc(n1)N(C)C)N(C)Cc1[nH+]ccn1[*:1]
Cc1cc(C)c(NS(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)c(C)c1 O=C1CCS(=O)(=O)N1[*:1] Cc1cc(C)c(NS(=O)(=O)c2c(C)cc(cc2C)[*:1])c(C)c1
Cc1cc(C)c(NS(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1cc(cc(C)c1S(=O)(=O)N[*:1])N1C(=O)CCS1(=O)=O
CC(C)[C@H](CCO)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 CC(C)[C@H](CCO)[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C(C)(C)CNC(=O)N[*:1]
CC(C)[C@H](CCO)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 OCC[*:1] CC(C)[C@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)[*:1]
CC(C)[C@H](CCO)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 CC(C)[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C(C)(C)CNC(=O)N[C@@H](CCO)[*:1]
CCc1ccc(CN2CCc3[nH]c[nH+]c3[C@@H]2c2cccn2-c2ncccn2)o1 CCc1ccc(o1)[*:1] c1cnc(nc1)-n1cccc1[C@H]1c2[nH+]c[nH]c2CCN1C[*:1]
CCc1ccc(CN2CCc3[nH]c[nH+]c3[C@@H]2c2cccn2-c2ncccn2)o1 CCc1ccc(C[*:1])o1 c1cnc(nc1)-n1cccc1[C@H]1c2[nH+]c[nH]c2CCN1[*:1]
CCc1ccc(CN2CCc3[nH]c[nH+]c3[C@@H]2c2cccn2-c2ncccn2)o1 c1cnc(nc1)[*:1] CCc1ccc(CN2CCc3[nH]c[nH+]c3[C@@H]2c2cccn2[*:1])o1
CC1(C)C[C@@H]([NH2+]Cc2nc[nH]n2)C(C)(C)O1 c1nc(n[nH]1)[*:1] CC1(C)C[C@@H]([NH2+]C[*:1])C(C)(C)O1
COc1ccc(O[C@H]2C(=O)N(Cc3cccc(N4CCCC4=O)c3)[C@H]2c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)O[C@H]1C(=O)N(Cc2cccc(c2)N2CCCC2=O)[C@@H]1[*:1]
COc1ccc(O[C@H]2C(=O)N(Cc3cccc(N4CCCC4=O)c3)[C@H]2c2ccc(C)o2)cc1 COc1ccc(cc1)O[*:1] Cc1ccc(o1)[C@H]1[C@H](C(=O)N1Cc1cccc(c1)N1CCCC1=O)[*:1]
COc1ccc(O[C@H]2C(=O)N(Cc3cccc(N4CCCC4=O)c3)[C@H]2c2ccc(C)o2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(o1)[C@H]1[C@@H](O[*:1])C(=O)N1Cc1cccc(c1)N1CCCC1=O
COc1ccc(O[C@H]2C(=O)N(Cc3cccc(N4CCCC4=O)c3)[C@H]2c2ccc(C)o2)cc1 O=C1CCCN1[*:1] COc1ccc(cc1)O[C@H]1C(=O)N(Cc2cccc(c2)[*:1])[C@H]1c1ccc(C)o1
O[C@H](c1cnccn1)c1cc(C(F)(F)F)ccc1F c1cnc(cn1)[*:1] O[C@H](c1cc(ccc1F)C(F)(F)F)[*:1]
O[C@H](c1cnccn1)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] O[C@H](c1cnccn1)c1cc(ccc1F)[*:1]
Cc1ccc(NC(=O)c2ccn(C)c(=O)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 Cn1ccc(cc1=O)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)NC(=O)[*:1]
Cc1ccc(NC(=O)c2ccn(C)c(=O)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])NC(=O)c1ccn(C)c(=O)c1
C=CCN(CC=C)c1nncc(-c2ccc(Cl)cc2)n1 C=CC[*:1] C=CCN(c1nncc(n1)-c1ccc(Cl)cc1)[*:1]
COc1cc(C(=O)N(CCC(F)(F)F)CC2CC2)ccc1C C1CC1[*:1] COc1cc(ccc1C)C(=O)N(CCC(F)(F)F)C[*:1]
COc1cc(C(=O)N(CCC(F)(F)F)CC2CC2)ccc1C FC(F)(F)CC[*:1] COc1cc(ccc1C)C(=O)N(CC1CC1)[*:1]
COc1cc(C(=O)N(CCC(F)(F)F)CC2CC2)ccc1C FC(F)(F)[*:1] COc1cc(ccc1C)C(=O)N(CC[*:1])CC1CC1
COc1cc(C(=O)N(CCC(F)(F)F)CC2CC2)ccc1C C1CC1C[*:1] COc1cc(ccc1C)C(=O)N(CCC(F)(F)F)[*:1]
COc1cc(C(=O)N(CCC(F)(F)F)CC2CC2)ccc1C FC(F)(F)C[*:1] COc1cc(ccc1C)C(=O)N(CC1CC1)C[*:1]
CCC[NH+]1CCCN(c2cccc(C(=O)NC)n2)CC1 CNC(=O)[*:1] CCC[NH+]1CCCN(CC1)c1cccc(n1)[*:1]
CCC[NH+]1CCCN(c2cccc(C(=O)NC)n2)CC1 CCC[*:1] CNC(=O)c1cccc(n1)N1CCC[NH+](CC1)[*:1]
Cc1ccccc1Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] Cc1ccccc1Cn1cnc2c(nnn2C[*:1])c1=O
Cc1ccccc1Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O Cc1ccccc1[*:1] O=c1c2nnn(Cc3ccc(Cl)cc3)c2ncn1C[*:1]
Cc1ccccc1Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O Cc1ccccc1C[*:1] O=c1c2nnn(Cc3ccc(Cl)cc3)c2ncn1[*:1]
Cc1ccccc1Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)C[*:1] Cc1ccccc1Cn1cnc2c(nnn2[*:1])c1=O
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccccc3)CC2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cncn1[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccccc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(c1cncn1-c1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)[C@@H](CC)c1nc2c(C)cccc2s1 CCOC(=O)[*:1] CC[C@@H](c1nc2c(C)cccc2s1)[*:1]
COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2c(C)nn(C)c2Cl)CC1 Cc1nn(C)c(Cl)c1[*:1] COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](CC1)C[*:1]
COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2c(C)nn(C)c2Cl)CC1 COc1ccccc1[*:1] Cc1nn(C)c(Cl)c1C[NH+]1CCC(CC1)n1nccc1NC(=O)[*:1]
CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCc3ccccc32)cc1 CCCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N[C@H]1CCc2ccccc21
CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCc3ccccc32)cc1 CCC[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])C(=O)N[C@H]1CCc2ccccc21
Cc1noc(C)c1CCCNC(=O)Nc1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1noc(C)c1CCCNC(=O)Nc1ccccc1[*:1]
Cc1noc(C)c1CCCNC(=O)Nc1ccccc1S(C)(=O)=O Cc1noc(C)c1C[*:1] CS(=O)(=O)c1ccccc1NC(=O)NCC[*:1]
Cc1noc(C)c1CCCNC(=O)Nc1ccccc1S(C)(=O)=O Cc1noc(C)c1[*:1] CS(=O)(=O)c1ccccc1NC(=O)NCCC[*:1]
O=C1CSc2ccc(C(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)cc2N1 c1csc(c1)-c1noc(n1)[*:1] O=C1CSc2ccc(cc2N1)C(=O)N1CCN(CC1)C[*:1]
O=C1CSc2ccc(C(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)cc2N1 c1csc(c1)[*:1] O=C1CSc2ccc(cc2N1)C(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
C[C@H](O)CCN(C)C(=O)Nc1ccc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] C[C@H](O)CCN(C)C(=O)Nc1ccc(cc1Cl)[*:1]
C[C@H](O)CCN(C)C(=O)Nc1ccc(C(F)(F)F)cc1Cl C[C@H](O)C[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1Cl)C(F)(F)F
C[C@H](O)CCN(C)C(=O)Nc1ccc(C(F)(F)F)cc1Cl C[C@H](O)CC[*:1] CN(C(=O)Nc1ccc(cc1Cl)C(F)(F)F)[*:1]
C[C@H](O)CCN(C)C(=O)Nc1ccc(C(F)(F)F)cc1Cl C[C@H](O)[*:1] CN(CC[*:1])C(=O)Nc1ccc(cc1Cl)C(F)(F)F
CN(C(=O)CCCNC(=O)C(C)(C)C)c1cc(-c2ccccc2)[nH]n1 CC(C)(C)C(=O)NC[*:1] CN(C(=O)CC[*:1])c1cc([nH]n1)-c1ccccc1
CN(C(=O)CCCNC(=O)C(C)(C)C)c1cc(-c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] CN(C(=O)CCCNC(=O)C(C)(C)C)c1cc([nH]n1)[*:1]
CN(C(=O)CCCNC(=O)C(C)(C)C)c1cc(-c2ccccc2)[nH]n1 CC(C)(C)[*:1] CN(C(=O)CCCNC(=O)[*:1])c1cc([nH]n1)-c1ccccc1
CN(C(=O)CCCNC(=O)C(C)(C)C)c1cc(-c2ccccc2)[nH]n1 CC(C)(C)C(=O)N[*:1] CN(C(=O)CCC[*:1])c1cc([nH]n1)-c1ccccc1
Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN(C1CCCC1)CO2 c1cc2OCOc2cc1[*:1] Cc1cc2OCN(Cc2c2OC(=C[*:1])C(=O)c12)C1CCCC1
Cc1cc2c(c3c1C(=O)/C(=C/c1ccc4c(c1)OCO4)O3)CN(C1CCCC1)CO2 C1CCC(C1)[*:1] Cc1cc2OCN(Cc2c2O/C(=C\c3ccc4OCOc4c3)C(=O)c12)[*:1]
CCn1cc(C(=O)Nc2nccs2)c(=O)c2cc3c(cc21)OCO3 c1csc(n1)[*:1] CCn1cc(C(=O)N[*:1])c(=O)c2cc3OCOc3cc21
CCn1cc(C(=O)Nc2nccs2)c(=O)c2cc3c(cc21)OCO3 O=C(Nc1nccs1)[*:1] CCn1cc(c(=O)c2cc3OCOc3cc21)[*:1]
Cc1ccc([C@H](C)NC(=O)Cc2cccc(OCc3cccnc3)c2)s1 c1cncc(c1)[*:1] Cc1ccc(s1)[C@H](C)NC(=O)Cc1cccc(c1)OC[*:1]
Cc1ccc([C@H](C)NC(=O)Cc2cccc(OCc3cccnc3)c2)s1 Cc1ccc(s1)[*:1] C[C@H](NC(=O)Cc1cccc(c1)OCc1cccnc1)[*:1]
Cc1ccc([C@H](C)NC(=O)Cc2cccc(OCc3cccnc3)c2)s1 c1cncc(c1)CO[*:1] Cc1ccc(s1)[C@H](C)NC(=O)Cc1cccc(c1)[*:1]
Cc1ccc([C@H](C)NC(=O)Cc2cccc(OCc3cccnc3)c2)s1 c1cncc(c1)C[*:1] Cc1ccc(s1)[C@H](C)NC(=O)Cc1cccc(c1)O[*:1]
Cc1n[nH]c(SCC(=O)N(C)[C@@H](C)c2ccccc2Cl)n1 Cc1n[nH]c(n1)S[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)C[*:1]
Cc1n[nH]c(SCC(=O)N(C)[C@@H](C)c2ccccc2Cl)n1 Cc1n[nH]c(n1)[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)CS[*:1]
Cc1n[nH]c(SCC(=O)N(C)[C@@H](C)c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1n[nH]c(n1)SCC(=O)N(C)[C@@H](C)[*:1]
Cc1cc2oc(=O)cc(CSc3nnnn3C3CCCC3)c2cc1C C1CCC(C1)[*:1] Cc1cc2oc(=O)cc(CSc3nnnn3[*:1])c2cc1C
CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 CC(C)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)C(=O)c1ccc(Cl)cc1Cl
CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 Clc1ccc(c(Cl)c1)[*:1] CC(C)NC(=O)C(=O)N1CCN(CC1)C(=O)[*:1]
C[C@@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccoc1 c1cc(co1)[*:1] C[C@@H]([NH2+]CC1(CCCCC1)N(C)C)[*:1]
C[C@@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccoc1 CN(C)[*:1] C[C@@H]([NH2+]CC1(CCCCC1)[*:1])c1ccoc1
COc1ccc(OC)c(C(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)c1 COc1ccc(OC)c(c1)[*:1] O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)[*:1]
COc1ccc(OC)c(C(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)C(=O)CN1N=C(c2ccccc2S1(=O)=O)[*:1]
O=C(CN1CCOC[C@H]1C1CC1)c1c[nH]c2ccccc12 C1CC1[*:1] O=C(CN1CCOC[C@@H]1[*:1])c1c[nH]c2ccccc12
O=S(=O)(Cc1cc(-c2ccccc2)on1)Cc1ccccc1F Fc1ccccc1[*:1] O=S(=O)(Cc1cc(on1)-c1ccccc1)C[*:1]
O=S(=O)(Cc1cc(-c2ccccc2)on1)Cc1ccccc1F c1ccc(cc1)[*:1] O=S(=O)(Cc1cc(on1)[*:1])Cc1ccccc1F
CN(CC1CCC1)C(=O)[C@@H]1CCCCC[C@H]1[NH3+] C1CC(C1)[*:1] CN(C[*:1])C(=O)[C@@H]1CCCCC[C@H]1[NH3+]
CN(CC1CCC1)C(=O)[C@@H]1CCCCC[C@H]1[NH3+] C1CC(C1)C[*:1] CN(C(=O)[C@@H]1CCCCC[C@H]1[NH3+])[*:1]
C/[NH+]=C(\NCc1ccc(-n2ccnc2)c(F)c1)NCC(C)C CC(C)[*:1] C/[NH+]=C(\NCc1ccc(c(F)c1)-n1ccnc1)NC[*:1]
C/[NH+]=C(\NCc1ccc(-n2ccnc2)c(F)c1)NCC(C)C c1cn(cn1)[*:1] C/[NH+]=C(\NCc1ccc(c(F)c1)[*:1])NCC(C)C
C/[NH+]=C(\NCc1ccc(-n2ccnc2)c(F)c1)NCC(C)C CC(C)C[*:1] C/[NH+]=C(\NCc1ccc(c(F)c1)-n1ccnc1)N[*:1]
Cc1ccc(NC(=O)C[C@H]([NH2+]Cc2cccnc2)C(=O)[O-])cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(C[C@H]([NH2+]Cc1cccnc1)C(=O)[O-])N[*:1]
Cc1ccc(NC(=O)C[C@H]([NH2+]Cc2cccnc2)C(=O)[O-])cc1Cl c1cncc(c1)C[*:1] Cc1ccc(cc1Cl)NC(=O)C[C@H]([NH2+][*:1])C(=O)[O-]
Cc1ccc(NC(=O)C[C@H]([NH2+]Cc2cccnc2)C(=O)[O-])cc1Cl c1cncc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)C[C@H]([NH2+]C[*:1])C(=O)[O-]
CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[NH+](C)C Fc1ccc(cc1)[*:1] CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]1[*:1])[NH+](C)C
CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[*:1]
CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C[*:1]
CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(OCC)c3)n2)cc1 CCOc1ccc(cc1)[*:1] CCOc1cc(/C=C(/C#N)c2nc(cs2)[*:1])ccc1O
CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(OCC)c3)n2)cc1 CCO[*:1] CCOc1cc(/C=C(/C#N)c2nc(cs2)-c2ccc(cc2)[*:1])ccc1O
CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(OCC)c3)n2)cc1 CCO[*:1] CCOc1ccc(cc1)-c1csc(n1)/C(C#N)=C\c1ccc(O)c(c1)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C)o2)n2ncnc2N1 Cc1ccc(c(C)c1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)N[*:1])c1ccc(C)o1
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C)o2)n2ncnc2N1 Cc1ccc(o1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)Nc1ccc(C)cc1C)[*:1]
CC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O CC(=O)[*:1] C[C@H](OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)[*:1]
CC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O CC(=O)[C@H](C)[*:1] C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)O[*:1])C2=O
C[C@H](O)CC(C)(C)CNC(=O)c1c(Cl)cccc1Cl C[C@H](O)[*:1] CC(C)(CNC(=O)c1c(Cl)cccc1Cl)C[*:1]
Cc1cc(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)ccc1F Cc1cc(ccc1F)[*:1] NC(=O)CS(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
Cc1cc(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)ccc1F NC(=O)[*:1] Cc1cc(ccc1F)CNC(=O)c1ccc(cc1)S(=O)(=O)C[*:1]
Cc1cc(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)ccc1F NC(=O)C[*:1] Cc1cc(ccc1F)CNC(=O)c1ccc(cc1)S(=O)(=O)[*:1]
Cc1cc(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)ccc1F NC(=O)CS(=O)(=O)[*:1] Cc1cc(ccc1F)CNC(=O)c1ccc(cc1)[*:1]
Cc1cccc(-n2c(SCc3nc(N)nc(Nc4ccc(F)cc4)n3)nnc2N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)-n1c(nnc1[*:1])SCc1nc(N)nc(n1)Nc1ccc(F)cc1
Cc1cccc(-n2c(SCc3nc(N)nc(Nc4ccc(F)cc4)n3)nnc2N2CCOCC2)c1 Fc1ccc(cc1)N[*:1] Cc1cccc(c1)-n1c(nnc1N1CCOCC1)SCc1nc(N)nc(n1)[*:1]
Cc1cccc(-n2c(SCc3nc(N)nc(Nc4ccc(F)cc4)n3)nnc2N2CCOCC2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)-n1c(nnc1N1CCOCC1)SCc1nc(N)nc(n1)N[*:1]
Cc1cccc(-n2c(SCc3nc(N)nc(Nc4ccc(F)cc4)n3)nnc2N2CCOCC2)c1 Cc1cccc(c1)[*:1] Nc1nc(CSc2nnc(N3CCOCC3)n2[*:1])nc(n1)Nc1ccc(F)cc1
C[C@H]([NH2+]CCNS(=O)(=O)c1cccnc1)C1CCCC1 C1CCC(C1)[*:1] C[C@H]([NH2+]CCNS(=O)(=O)c1cccnc1)[*:1]
C[C@H]([NH2+]CCNS(=O)(=O)c1cccnc1)C1CCCC1 c1cncc(c1)[*:1] C[C@H]([NH2+]CCNS(=O)(=O)[*:1])C1CCCC1
CCCc1nnc(NC(=O)c2c[nH]nc2-c2ccccc2F)s1 Fc1ccccc1[*:1] CCCc1nnc(NC(=O)c2c[nH]nc2[*:1])s1
CCCc1nnc(NC(=O)c2c[nH]nc2-c2ccccc2F)s1 CCC[*:1] O=C(Nc1nnc(s1)[*:1])c1c[nH]nc1-c1ccccc1F
COCCN1C(=O)C([O-])=C(C(=O)c2c(C)nn(C)c2C)[C@@H]1c1cccs1 COCC[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N([C@H]1c1cccs1)[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2c(C)nn(C)c2C)[C@@H]1c1cccs1 c1csc(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2c(C)nn(C)c2C)[C@H]1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2c(C)nn(C)c2C)[C@@H]1c1cccs1 Cc1nn(C)c(C)c1[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccs1
COCCN1C(=O)C([O-])=C(C(=O)c2c(C)nn(C)c2C)[C@@H]1c1cccs1 COC[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccs1
Cc1ccc(/C=N/Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1 Cc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)-c1csc(n1)NN=C[*:1]
Cc1ccc(/C=N/Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(/C=N/Nc2nc(cs2)-c2ccc(cc2)[*:1])cc1
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1cccc(-n2cccn2)n1 CS(=O)(=O)[*:1] Cc1cc(ccc1NC(=O)c1cccc(n1)-n1cccn1)[*:1]
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1cccc(-n2cccn2)n1 c1cnn(c1)[*:1] Cc1cc(ccc1NC(=O)c1cccc(n1)[*:1])S(C)(=O)=O
CCn1cc(NC(=O)CCn2c(C(F)(F)F)cc3cccnc32)cn1 FC(F)(F)[*:1] CCn1cc(cn1)NC(=O)CCn1c(cc2cccnc21)[*:1]
CCn1cc(NC(=O)CCn2c(C(F)(F)F)cc3cccnc32)cn1 CCn1cc(cn1)[*:1] O=C(CCn1c(cc2cccnc21)C(F)(F)F)N[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 FC(F)(F)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1nc2cc(ccc2c(=O)[nH]1)[*:1]
C[C@H]1C[C@H]1NC(=O)/C=C/c1ccc([N-]S(C)(=O)=O)cc1 C[C@H]1C[C@@H]1[*:1] CS(=O)(=O)[N-]c1ccc(/C=C/C(=O)N[*:1])cc1
COC(=O)[C@H](C)Oc1cc(Br)c(C=O)cc1OC COC(=O)[C@H](C)[*:1] COc1cc(C=O)c(Br)cc1O[*:1]
COC(=O)[C@H](C)Oc1cc(Br)c(C=O)cc1OC COC(=O)[*:1] COc1cc(C=O)c(Br)cc1O[C@@H](C)[*:1]
CCOc1ccc(NC(=O)N2CCN(Cc3csc(CC)n3)CC2)cc1F CCc1nc(cs1)C[*:1] CCOc1ccc(cc1F)NC(=O)N1CCN(CC1)[*:1]
CCOc1ccc(NC(=O)N2CCN(Cc3csc(CC)n3)CC2)cc1F CCO[*:1] CCc1nc(cs1)CN1CCN(CC1)C(=O)Nc1ccc(c(F)c1)[*:1]
CCOc1ccc(NC(=O)N2CCN(Cc3csc(CC)n3)CC2)cc1F CCc1nc(cs1)[*:1] CCOc1ccc(cc1F)NC(=O)N1CCN(CC1)C[*:1]
O=c1oc(-c2cccs2)nn1C[NH+](CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] O=c1oc(nn1C[NH+](C[*:1])C1CCC1)-c1cccs1
O=c1oc(-c2cccs2)nn1C[NH+](CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] O=c1oc(nn1C[NH+](CCC(F)(F)F)[*:1])-c1cccs1
O=c1oc(-c2cccs2)nn1C[NH+](CCC(F)(F)F)C1CCC1 c1csc(c1)[*:1] O=c1oc(nn1C[NH+](CCC(F)(F)F)C1CCC1)[*:1]
O=c1oc(-c2cccs2)nn1C[NH+](CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] O=c1oc(nn1C[NH+](CC[*:1])C1CCC1)-c1cccs1
O=c1oc(-c2cccs2)nn1C[NH+](CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] O=c1oc(nn1C[NH+](C1CCC1)[*:1])-c1cccs1
Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(cc1)[*:1]
Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 Cc1cc(Br)cc(C)c1O[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)[C@@H](C)[*:1]
Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 Cc1cc(Br)cc(C)c1[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)[C@@H](C)O[*:1]
Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(-c2cc(C[C@@H]3C[C@H]([NH2+]Cc4ccncc4)C3(C)C)no2)cc1 COc1ccc(cc1)[*:1] CC1(C)[C@H](Cc2cc(on2)[*:1])C[C@@H]1[NH2+]Cc1ccncc1
COc1ccc(-c2cc(C[C@@H]3C[C@H]([NH2+]Cc4ccncc4)C3(C)C)no2)cc1 c1cc(ccn1)C[*:1] COc1ccc(cc1)-c1cc(C[C@@H]2C[C@H]([NH2+][*:1])C2(C)C)no1
COc1ccc(-c2cc(C[C@@H]3C[C@H]([NH2+]Cc4ccncc4)C3(C)C)no2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-c1cc(C[C@@H]2C[C@H]([NH2+]C[*:1])C2(C)C)no1
CC(C)[NH2+][C@@]1(CO)CC[C@@H]([NH+]2CCC(C)(C)CC2)C1 CC(C)[*:1] CC1(C)CC[NH+](CC1)[C@@H]1CC[C@@](CO)(C1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(CO)CC[C@@H]([NH+]2CCC(C)(C)CC2)C1 CC(C)[NH2+][*:1] CC1(C)CC[NH+](CC1)[C@@H]1CC[C@](CO)(C1)[*:1]
CC(C)c1ccccc1NC(=O)CN1CSCC1=O O=C1CSCN1[*:1] CC(C)c1ccccc1NC(=O)C[*:1]
CC(C)c1ccccc1NC(=O)CN1CSCC1=O CC(C)[*:1] O=C(CN1CSCC1=O)Nc1ccccc1[*:1]
COc1ccc(NC(=S)Nc2cccc(C(C)=O)c2)cc1OC CC(=O)[*:1] COc1ccc(cc1OC)NC(=S)Nc1cccc(c1)[*:1]
[NH3+]CCc1ccc2nccnc2c1 [NH3+]CC[*:1] c1cnc2cc(ccc2n1)[*:1]
C[C@H](CCCO)NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 C[C@H](CCCO)[*:1] O=C(N[*:1])N1CCC(CC1)c1c[nH]c2ncccc12
C[C@H](CCCO)NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 OCCC[*:1] C[C@H](NC(=O)N1CCC(CC1)c1c[nH]c2ncccc12)[*:1]
C[C@H](CCCO)NC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 OCC[*:1] C[C@H](C[*:1])NC(=O)N1CCC(CC1)c1c[nH]c2ncccc12
CCOc1ccc(CN2CCN(C(=O)NCC3CCC3)CC2)cc1 C1CC(C1)[*:1] CCOc1ccc(cc1)CN1CCN(CC1)C(=O)NC[*:1]
CCOc1ccc(CN2CCN(C(=O)NCC3CCC3)CC2)cc1 CCO[*:1] O=C(NCC1CCC1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CCOc1ccc(CN2CCN(C(=O)NCC3CCC3)CC2)cc1 C1CC(C1)C[*:1] CCOc1ccc(cc1)CN1CCN(CC1)C(=O)N[*:1]
COc1cc(CCC(=O)Nc2ccncc2)cc(OC)c1 c1cc(ccn1)[*:1] COc1cc(cc(c1)OC)CCC(=O)N[*:1]
Cc1nc(CNC(=O)[C@@H](c2ccccc2F)N(C)C)n[nH]1 CN(C)[*:1] Cc1nc(CNC(=O)[C@@H](c2ccccc2F)[*:1])n[nH]1
Cc1nc(CNC(=O)[C@@H](c2ccccc2F)N(C)C)n[nH]1 Fc1ccccc1[*:1] Cc1nc(CNC(=O)[C@@H](N(C)C)[*:1])n[nH]1
Cc1nc(CNC(=O)[C@@H](c2ccccc2F)N(C)C)n[nH]1 Cc1nc(n[nH]1)[*:1] CN(C)[C@@H](C(=O)NC[*:1])c1ccccc1F
Cc1nc(CNC(=O)[C@@H](c2ccccc2F)N(C)C)n[nH]1 Cc1nc(C[*:1])n[nH]1 CN(C)[C@@H](C(=O)N[*:1])c1ccccc1F
CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O CC(C)CNC(=O)[*:1] NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O CC(C)C[*:1] NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1]
CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O CC(C)[*:1] NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[*:1]
CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O NC(=O)N[*:1] CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCC3(O)CCSCC3)c12 OC1(CCSCC1)[*:1] Cc1nn(C)c2nc(cc(C(=O)NC[*:1])c12)C1CC1
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCC3(O)CCSCC3)c12 OC1(CCSCC1)C[*:1] Cc1nn(C)c2nc(cc(C(=O)N[*:1])c12)C1CC1
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCC3(O)CCSCC3)c12 C1CC1[*:1] Cc1nn(C)c2nc(cc(C(=O)NCC3(O)CCSCC3)c12)[*:1]
CCCN(CCC)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C Cn1ccnc1[*:1] CCCN(CCC)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CCCN(CCC)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C CCC[*:1] CCCN(C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C)[*:1]
CCCN(CCC)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C Fc1ccc(cc1)[*:1] CCCN(CCC)C(=O)N[C@@H](c1nccn1C)[*:1]
COc1ccccc1C(=O)N1CCN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)CC1 c1ccc(cc1)O[*:1] COc1ccccc1C(=O)N1CCN(CC1)c1oc(nc1C#N)-c1ccc(C[*:1])o1
COc1ccccc1C(=O)N1CCN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)CC1 c1ccc(cc1)[*:1] COc1ccccc1C(=O)N1CCN(CC1)c1oc(nc1C#N)-c1ccc(CO[*:1])o1
COc1ccccc1C(=O)N1CCN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)CC1 COc1ccccc1[*:1] N#Cc1nc(oc1N1CCN(CC1)C(=O)[*:1])-c1ccc(COc2ccccc2)o1
COc1ccccc1C(=O)N1CCN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)CC1 c1ccc(cc1)OC[*:1] COc1ccccc1C(=O)N1CCN(CC1)c1oc(nc1C#N)-c1ccc(o1)[*:1]
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1nnc(C)n1C Cc1nnc(C[*:1])n1C Cc1c(cccc1C(=O)N[*:1])N[C@@H](C)C(C)C
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1nnc(C)n1C CC(C)[*:1] Cc1c(cccc1C(=O)NCc1nnc(C)n1C)N[C@@H](C)[*:1]
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1nnc(C)n1C CC(C)[C@H](C)N[*:1] Cc1c(cccc1[*:1])C(=O)NCc1nnc(C)n1C
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1nnc(C)n1C Cc1nnc(n1C)[*:1] Cc1c(cccc1C(=O)NC[*:1])N[C@@H](C)C(C)C
CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)C2CC=CC2)cc1 CC[C@@H](CO)[*:1] O=C(Cc1ccc(cc1)NC(=O)C1CC=CC1)N[*:1]
O=C(NCC(C1CC1)C1CC1)C(=O)Nc1ccc(-c2nccs2)cc1 C1CC1C(C[*:1])C1CC1 O=C(Nc1ccc(cc1)-c1nccs1)C(=O)N[*:1]
O=C(NCC(C1CC1)C1CC1)C(=O)Nc1ccc(-c2nccs2)cc1 C1CC1[*:1] O=C(NCC(C1CC1)[*:1])C(=O)Nc1ccc(cc1)-c1nccs1
O=C(NCC(C1CC1)C1CC1)C(=O)Nc1ccc(-c2nccs2)cc1 C1CC1C(C1CC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)-c1nccs1
O=C(NCC(C1CC1)C1CC1)C(=O)Nc1ccc(-c2nccs2)cc1 c1csc(n1)[*:1] O=C(NCC(C1CC1)C1CC1)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCn1cnc(cc1=O)[*:1])c1ccc(F)cc1
O=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCn1cnc(cc1=O)-c1ccc(F)cc1)[*:1]
CC[NH+](CC)C[C@@H](N[C@@H]1CCO[C@@H]1C)c1ccccc1 C[C@H]1OCC[C@H]1[*:1] CC[NH+](CC)C[C@@H](N[*:1])c1ccccc1
CC[NH+](CC)C[C@@H](N[C@@H]1CCO[C@@H]1C)c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CC)C[C@@H](N[C@@H]1CCO[C@@H]1C)[*:1]
Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](c1ccccc1)N1CCC(CC1)C(=O)N[C@H](C)[*:1]
Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 Cc1ccc(cc1)NC(=O)[*:1] CC(C)[C@@H](C)NC(=O)C1CCN(CC1)[C@H](c1ccccc1)[*:1]
Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 CC(C)[C@@H](C)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](c1ccccc1)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](N1CCC(CC1)C(=O)N[C@H](C)C(C)C)[*:1]
Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@@H](C)NC(=O)C1CCN(CC1)[C@@H](C(=O)N[*:1])c1ccccc1
Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 CC(C)[C@@H](C)NC(=O)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](c1ccccc1)N1CCC(CC1)[*:1]
Cn1ncc(C(=O)NCc2cccc(C[NH+](C)C)c2)c1-n1cccc1 c1ccn(c1)[*:1] Cn1ncc(C(=O)NCc2cccc(c2)C[NH+](C)C)c1[*:1]
C[C@@H]1CCCCN1C(=O)CN[C@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)CN[C@H](c1ccccc1)[*:1]
C[C@@H]1CCCCN1C(=O)CN[C@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)CN[C@H](c1ccc(F)cc1)[*:1]
N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CC=CCC3)c2)nc1 N#Cc1ccc(nc1)[*:1] O=C(Nc1cccc(c1)O[*:1])[C@@H]1CC=CCC1
CC(C)N1C(N)=[NH+]C[C@]1(C)c1ccccc1OC(F)F FC(F)[*:1] CC(C)N1C(N)=[NH+]C[C@]1(C)c1ccccc1O[*:1]
CC(C)N1C(N)=[NH+]C[C@]1(C)c1ccccc1OC(F)F FC(F)O[*:1] CC(C)N1C(N)=[NH+]C[C@]1(C)c1ccccc1[*:1]
CC(C)N1C(N)=[NH+]C[C@]1(C)c1ccccc1OC(F)F CC(C)[*:1] C[C@@]1(C[NH+]=C(N)N1[*:1])c1ccccc1OC(F)F
CC(C)[C@H](CO)NC(=O)[C@H](C)n1cccn1 CC(C)[*:1] C[C@@H](C(=O)N[C@@H](CO)[*:1])n1cccn1
CC(C)[C@H](CO)NC(=O)[C@H](C)n1cccn1 c1cnn(c1)[*:1] CC(C)[C@H](CO)NC(=O)[C@H](C)[*:1]
CC(C)OC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 Brc1ccc(o1)[*:1] CC(C)OC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)OC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 CC(C)[*:1] O=C(O[*:1])c1ccc(cc1)NC(=O)c1ccc(Br)o1
CC(C)OC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 CC(C)OC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Br)o1
CC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])C1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)[O-])[NH+]1CCN([C@H](C)c2ccoc2)CC1 c1cc(co1)[*:1] C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)[C@H](C)[*:1]
C[C@@H](C(=O)[O-])[NH+]1CCN([C@H](C)c2ccoc2)CC1 O=C([O-])[*:1] C[C@@H]([NH+]1CCN(CC1)[C@H](C)c1ccoc1)[*:1]
Cc1ccc(C(=O)NNC(=O)c2ccc([S@](C)=O)cc2)o1 Cc1ccc(o1)[*:1] C[S@](=O)c1ccc(cc1)C(=O)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)c2ccc([S@](C)=O)cc2)o1 C[S@](=O)[*:1] Cc1ccc(o1)C(=O)NNC(=O)c1ccc(cc1)[*:1]
C[C@H]1CCC[C@H](NC2=NN=C(c3ccc(N(C)S(C)(=O)=O)cc3)CS2)[C@@H]1C CN(S(C)(=O)=O)[*:1] C[C@H]1CCC[C@H](NC2=NN=C(CS2)c2ccc(cc2)[*:1])[C@@H]1C
O=C(CNc1ncnc2sc3c(c12)CCCC3)NCc1ccco1 c1coc(c1)[*:1] O=C(CNc1ncnc2sc3CCCCc3c12)NC[*:1]
O=C(CNc1ncnc2sc3c(c12)CCCC3)NCc1ccco1 c1coc(c1)C[*:1] O=C(CNc1ncnc2sc3CCCCc3c12)N[*:1]
Cc1ccc(-c2noc(C[S@@](=O)[C@H](C)c3ccccc3)n2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](c1ccccc1)[S@](=O)Cc1nc(no1)[*:1]
Cc1ccc(-c2noc(C[S@@](=O)[C@H](C)c3ccccc3)n2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)-c1noc(C[S@@](=O)[C@H](C)[*:1])n1
Cc1ccc(-c2noc(C[S@@](=O)[C@H](C)c3ccccc3)n2)cc1F C[C@H](c1ccccc1)[*:1] Cc1ccc(cc1F)-c1noc(C[S@@](=O)[*:1])n1
CCCn1nc(C(=O)OCc2cccc(Cl)c2)c2ccccc2c1=O Clc1cccc(c1)C[*:1] CCCn1nc(C(=O)O[*:1])c2ccccc2c1=O
CCCn1nc(C(=O)OCc2cccc(Cl)c2)c2ccccc2c1=O CCC[*:1] O=C(OCc1cccc(Cl)c1)c1nn(c(=O)c2ccccc12)[*:1]
CCCn1nc(C(=O)OCc2cccc(Cl)c2)c2ccccc2c1=O Clc1cccc(c1)[*:1] CCCn1nc(C(=O)OC[*:1])c2ccccc2c1=O
Cc1oc(C)c(C(=O)N2CCC[C@H](CNC(N)=O)C2)c1C NC(=O)NC[*:1] Cc1oc(C)c(C(=O)N2CCC[C@H](C2)[*:1])c1C
Cc1oc(C)c(C(=O)N2CCC[C@H](CNC(N)=O)C2)c1C NC(=O)N[*:1] Cc1oc(C)c(C(=O)N2CCC[C@@H](C2)C[*:1])c1C
O=C([C@H]1N=NC2=C1CCC2)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F FC(F)(F)[*:1] O=C([C@H]1N=NC2CCCC=21)N1N=C2CCCC[C@H]2[C@@]1(O)[*:1]
Cn1nc(C2CC[NH+](Cc3ccccc3)CC2)n(C2CCCC2)c1=O c1ccc(cc1)C[*:1] Cn1nc(C2CC[NH+](CC2)[*:1])n(c1=O)C1CCCC1
Cn1nc(C2CC[NH+](Cc3ccccc3)CC2)n(C2CCCC2)c1=O c1ccc(cc1)[*:1] Cn1nc(C2CC[NH+](CC2)C[*:1])n(c1=O)C1CCCC1
Cn1nc(C2CC[NH+](Cc3ccccc3)CC2)n(C2CCCC2)c1=O C1CCC(C1)[*:1] Cn1nc(C2CC[NH+](CC2)Cc2ccccc2)n(c1=O)[*:1]
Cc1cc(C(=O)NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c(C)o1 Clc1ccccc1C[*:1] Cc1cc(C(=O)NNC(=O)c2c(C)nn(c2Cl)[*:1])c(C)o1
Cc1cc(C(=O)NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNC(=O)[*:1]
Cc1cc(C(=O)NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c(C)o1 Clc1ccccc1[*:1] Cc1cc(C(=O)NNC(=O)c2c(C)nn(C[*:1])c2Cl)c(C)o1
Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1
Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)cc1C(N)=O C1CCC(C1)[*:1] Cc1ccc(cc1C(N)=O)NC(=O)N[C@H]1CCCC[C@@H]1O[*:1]
Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)cc1C(N)=O C1CCC(C1)O[*:1] Cc1ccc(cc1C(N)=O)NC(=O)N[C@H]1CCCC[C@H]1[*:1]
NC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)C1 FC(F)(F)[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)c1cnn(-c2cccc(c2)[*:1])c1-n1cccc1
NC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)C1 FC(F)(F)c1cccc(c1)[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)c1cnn(c1-n1cccc1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)C1 NC(=O)[*:1] O=C(c1cnn(-c2cccc(c2)C(F)(F)F)c1-n1cccc1)N1CCC[C@@H](C1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)C1 c1ccn(c1)[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)c1cnn(-c2cccc(c2)C(F)(F)F)c1[*:1]
C[C@H](OC(=O)c1cc(N)ccc1Cl)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](OC(=O)c1cc(N)ccc1Cl)C(=O)NC[*:1]
C[C@H](OC(=O)c1cc(N)ccc1Cl)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](OC(=O)c1cc(N)ccc1Cl)C(=O)N[*:1]
Cc1ccc(S[C@H](C)C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)S[C@H](C)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(S[C@H](C)C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 Cc1ccc(cc1)S[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)[C@@H](C)[*:1]
Cc1ccc(S[C@H](C)C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)[C@@H](C)S[*:1]
CC(=O)N(C)c1cccc(NCc2ccccc2F)c1 CC(=O)N(C)[*:1] Fc1ccccc1CNc1cccc(c1)[*:1]
Cc1ccccc1CCNS(=O)(=O)c1ccc(C(=O)[O-])o1 O=C([O-])[*:1] Cc1ccccc1CCNS(=O)(=O)c1ccc(o1)[*:1]
Cc1ccccc1CCNS(=O)(=O)c1ccc(C(=O)[O-])o1 Cc1ccccc1[*:1] O=C([O-])c1ccc(o1)S(=O)(=O)NCC[*:1]
Cc1cc(C)n2ncc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)c2n1 O=S1(=O)CC[C@H](C1)[*:1] Cc1cc(C)n2ncc(C(=O)NC[*:1])c2n1
CCC(=O)CC1C[C@@H](C)C[C@H](C)C1 CCC(=O)[*:1] C[C@@H]1CC(C[C@@H](C)C1)C[*:1]
CC(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ccc2OCC(=O)Nc2c1
Cc1cc(C)c2nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)sc2c1 Clc1ccc(cc1)[*:1] Cc1cc(C)c2nc(sc2c1)N1CCN(CC1)C(=O)[*:1]
CCOc1ccc(F)c(C(=O)N[C@@H](C)CNc2ccccc2)c1F c1ccc(cc1)[*:1] CCOc1ccc(F)c(C(=O)N[C@@H](C)CN[*:1])c1F
CCOc1ccc(F)c(C(=O)N[C@@H](C)CNc2ccccc2)c1F CCO[*:1] C[C@@H](CNc1ccccc1)NC(=O)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)N[C@@H](C)CNc2ccccc2)c1F c1ccc(cc1)N[*:1] CCOc1ccc(F)c(C(=O)N[C@@H](C)C[*:1])c1F
CCOc1ccc(F)c(C(=O)N[C@@H](C)CNc2ccccc2)c1F c1ccc(cc1)NC[*:1] CCOc1ccc(F)c(C(=O)N[C@@H](C)[*:1])c1F
Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)c1 Cc1ccc(C)c(c1)[*:1] O=C1C[C@H](C(=O)N[*:1])c2c(nc([nH]c2=O)N2CCCC2)N1
Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)c1 C1CCN(C1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
O=C(Cc1ccc(F)cc1)NNC(=O)NC1CCN(c2cccc[nH+]2)CC1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NNC(=O)NC1CCN(CC1)c1cccc[nH+]1
O=C(Cc1ccc(F)cc1)NNC(=O)NC1CCN(c2cccc[nH+]2)CC1 Fc1ccc(cc1)C[*:1] O=C(NNC(=O)[*:1])NC1CCN(CC1)c1cccc[nH+]1
CC(=O)Nc1ccc(/C=N/NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 CC(=O)N[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccc1)N/N=C/c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(/C=N/NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(/C=N/NC(=O)CC[NH+]2CCN(CC2)[*:1])cc1
COCc1ccc(C(=O)Oc2ccc(F)cc2)cc1 COC[*:1] O=C(Oc1ccc(F)cc1)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)NC[C@H](C)N2CCOC[C@@H]2C)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NC[C@H](C)N1CCOC[C@@H]1C
CN1C[C@H](C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)CC1=O C1CO[C@@H](C1)C[*:1] CN1C[C@@H](CC1=O)C(=O)N1CCC(CC1)O[*:1]
CN1C[C@H](C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)CC1=O C1CO[C@@H](C1)[*:1] CN1C[C@@H](CC1=O)C(=O)N1CCC(CC1)OC[*:1]
CN1C[C@H](C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)CC1=O C1CO[C@@H](C1)CO[*:1] CN1C[C@@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
CN1C[C@H](C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)CC1=O CN1C[C@H](CC1=O)[*:1] O=C(N1CCC(CC1)OC[C@@H]1CCCO1)[*:1]
CC(C)(C)N1C[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1=O CC(C)(C)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N[C@H]1CC(=O)N(C1)[*:1]
OC1(C[NH2+]CC2CCC2)CCCCCC1 C1CC(C1)C[*:1] OC1(CCCCCC1)C[NH2+][*:1]
OC1(C[NH2+]CC2CCC2)CCCCCC1 C1CC(C1)[*:1] OC1(CCCCCC1)C[NH2+]C[*:1]
CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nc2cc(C)[nH]c2c1=O Cc1cc(ccc1Br)[*:1] CCn1c(nc2cc(C)[nH]c2c1=O)SCC(=O)N[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)cc1 Cc1ccc(cc1)[C@@H](C)[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccc2OCC(=O)Nc2c1
Cc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)N(C)[C@H](C)[*:1])c1ccc2OCC(=O)Nc2c1
CC#CC[C@H](O)[C@]1([NH+](C)C)CCC[C@H](C)C1 CC#CC[*:1] C[C@H]1CCC[C@](C1)([C@@H](O)[*:1])[NH+](C)C
CC#CC[C@H](O)[C@]1([NH+](C)C)CCC[C@H](C)C1 CC#C[*:1] C[C@H]1CCC[C@](C1)([C@@H](O)C[*:1])[NH+](C)C
CCOC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@]12c1ccccc1-c1oc(N)nc12 CCOC(=O)[*:1] CC1=C([C@]2(C(=O)N1CC(N)=O)c1ccccc1-c1oc(N)nc12)[*:1]
CCOC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@]12c1ccccc1-c1oc(N)nc12 NC(=O)[*:1] CCOC(=O)C1=C(C)N(C[*:1])C(=O)[C@]12c1ccccc1-c1oc(N)nc12
CCOC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@]12c1ccccc1-c1oc(N)nc12 NC(=O)C[*:1] CCOC(=O)C1=C(C)N(C(=O)[C@]12c1ccccc1-c1oc(N)nc12)[*:1]
C[C@@](O)(CNC(=O)CC1([NH3+])CCC1)C(=O)[O-] O=C([O-])[*:1] C[C@@](O)(CNC(=O)CC1([NH3+])CCC1)[*:1]
C[C@@](O)(CNC(=O)CC1([NH3+])CCC1)C(=O)[O-] [NH3+]C1(CCC1)[*:1] C[C@@](O)(CNC(=O)C[*:1])C(=O)[O-]
Cc1ccc(NC(=O)c2cnc3sc(C)cn3c2=O)cn1 Cc1ccc(cn1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[*:1]
CC[C@@H](C)C(=O)NCC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CC[C@@H](C)C(=O)N[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)C[*:1]
CC[C@@H](C)C(=O)NCC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[C@@H](C)C(=O)NCC(=O)N[C@H]1CCC[C@H](C1)[*:1]
CC[C@@H](C)C(=O)NCC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CC[C@@H](C)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)CNC(=O)[*:1]
C[C@@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1cc(Cl)ccc1Cl C[S@](=O)[*:1] C[C@@H]([NH2+]CC[C@@H](C)[*:1])c1cc(Cl)ccc1Cl
Cc1cnn(-c2ccc([C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O)cc2F)c1 C[C@H](S(C)(=O)=O)[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@@H](C)NC(=O)[*:1]
Cc1cnn(-c2ccc([C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O)cc2F)c1 Cc1cnn(c1)[*:1] C[C@@H](C(=O)N[C@H](C)c1ccc(c(F)c1)[*:1])S(C)(=O)=O
Cc1cnn(-c2ccc([C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O)cc2F)c1 CS(=O)(=O)[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@@H](C)NC(=O)[C@H](C)[*:1]
C[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)NC(=O)CC[*:1]
CC[C@@H](Oc1cccc(/C=C2\S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)c1)C(=O)[O-] O=C([O-])c1ccc(cc1)[*:1] CC[C@@H](Oc1cccc(/C=C2\SC(=N[*:1])N(C)C2=O)c1)C(=O)[O-]
CC[C@@H](Oc1cccc(/C=C2\S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](Oc1cccc(/C=C2\S/C(=N\c3ccc(cc3)[*:1])N(C)C2=O)c1)C(=O)[O-]
CC[C@@H](Oc1cccc(/C=C2\S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](Oc1cccc(/C=C2\S/C(=N\c3ccc(cc3)C(=O)[O-])N(C)C2=O)c1)[*:1]
COc1ccccc1N1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O COc1ccccc1[*:1] O=C1S/C(=C/c2ccc(cc2)[N+](=O)[O-])C(=O)N1[*:1]
COc1ccccc1N1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] COc1ccccc1N1C(=O)S/C(=C/c2ccc(cc2)[*:1])C1=O
CC[NH+](C)Cc1cc(C(=O)OC)sc1C COC(=O)[*:1] CC[NH+](C)Cc1cc(sc1C)[*:1]
CCOc1cc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)ccc1O CCOc1cc(ccc1O)[*:1] Cc1cc(C)c(c(O)c1)-c1n[nH]c2C(=O)N(CCO)[C@H](c12)[*:1]
CCOc1cc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)ccc1O Cc1cc(C)c(c(O)c1)[*:1] CCOc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1CCO)[*:1]
CCOc1cc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)ccc1O CCO[*:1] Cc1cc(C)c(c(O)c1)-c1n[nH]c2C(=O)N(CCO)[C@@H](c3ccc(O)c(c3)[*:1])c12
CCOc1cc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)ccc1O OCC[*:1] CCOc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1c(C)cc(C)cc1O
COc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1N1CCCCC1=O O=C1CCCCN1[*:1] COc1ccc(cc1[*:1])NC(=O)c1cnn(-c2ccccn2)c1C
COc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1N1CCCCC1=O c1ccc(nc1)[*:1] COc1ccc(cc1N1CCCCC1=O)NC(=O)c1cnn(c1C)[*:1]
O=[N+]([O-])c1ccc2c(c1)=[NH+][C@@H](C(F)(F)F)[NH+]=2 O=[N+]([O-])[*:1] FC(F)(F)[C@H]1[NH+]=c2ccc(cc2=[NH+]1)[*:1]
O=[N+]([O-])c1ccc2c(c1)=[NH+][C@@H](C(F)(F)F)[NH+]=2 FC(F)(F)[*:1] O=[N+]([O-])c1ccc2=[NH+][C@H]([NH+]=c2c1)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)c1cc(=O)[nH]c2ccccc12 CC(=O)N[*:1] COc1ccc(cc1NC(=O)c1cc(=O)[nH]c2ccccc12)[*:1]
COCCCOC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 COC[*:1] O=C(OCC[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(F)cc1
COCCCOC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 COCCC[*:1] O=C(O[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(F)cc1
COCCCOC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] COCCCOC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
COCCCOC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 COCC[*:1] O=C(OC[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(F)cc1
Cc1cc(C)n(C(=O)[C@@H]2CC(c3ccccc3)=NO2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)C(=O)[C@@H]1CC(=NO1)[*:1]
CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1c(C)noc1C Cn1cc(cn1)[*:1] CC[C@H]([NH2+][C@@H](C)[*:1])c1c(C)noc1C
CCn1cc(C(=O)Nc2cccc(-c3nc(C)cs3)c2)cn1 CCn1cc(cn1)[*:1] Cc1csc(n1)-c1cccc(c1)NC(=O)[*:1]
CCn1cc(C(=O)Nc2cccc(-c3nc(C)cs3)c2)cn1 Cc1csc(n1)[*:1] CCn1cc(cn1)C(=O)Nc1cccc(c1)[*:1]
CC(C)OCCCNC(=O)Nc1ccc(Br)cc1Br CC(C)OCC[*:1] O=C(NC[*:1])Nc1ccc(Br)cc1Br
CC(C)OCCCNC(=O)Nc1ccc(Br)cc1Br CC(C)OC[*:1] O=C(NCC[*:1])Nc1ccc(Br)cc1Br
CC(C)OCCCNC(=O)Nc1ccc(Br)cc1Br CC(C)[*:1] O=C(NCCCO[*:1])Nc1ccc(Br)cc1Br
CC(C)OCCCNC(=O)Nc1ccc(Br)cc1Br CC(C)O[*:1] O=C(NCCC[*:1])Nc1ccc(Br)cc1Br
COCCNC(=O)CN(C)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 COCC[*:1] CN(CC(=O)N[*:1])C(=O)[C@H]1CC[C@@H](C[NH3+])O1
COCCNC(=O)CN(C)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 COC[*:1] CN(CC(=O)NC[*:1])C(=O)[C@H]1CC[C@@H](C[NH3+])O1
CSc1ccc(CCNC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 CSc1ccc(cc1)[*:1] O=C(NCC[*:1])c1cc(C[NH+]2CCCC2)on1
CCCCN(CC(F)(F)F)C(=O)c1cnn2cc(Br)cnc12 FC(F)(F)[*:1] CCCCN(C[*:1])C(=O)c1cnn2cc(Br)cnc12
CCCCN(CC(F)(F)F)C(=O)c1cnn2cc(Br)cnc12 CCC[*:1] O=C(c1cnn2cc(Br)cnc12)N(CC(F)(F)F)C[*:1]
CCCCN(CC(F)(F)F)C(=O)c1cnn2cc(Br)cnc12 FC(F)(F)C[*:1] CCCCN(C(=O)c1cnn2cc(Br)cnc12)[*:1]
CCCCN(CC(F)(F)F)C(=O)c1cnn2cc(Br)cnc12 CCCC[*:1] O=C(c1cnn2cc(Br)cnc12)N(CC(F)(F)F)[*:1]
C[C@H](NC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1)c1cnn(C)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCC(CC1)NC(=O)N[*:1])c1cnn(C)c1
C[C@H](NC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)N1CCC(CC1)NC(=O)Nc1ccccc1)[*:1]
CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)CC1 c1ncc(cn1)[*:1] CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccc(cc2)[*:1])CC1
C[C@@H](OC(=O)CCc1ccc(Cl)cc1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](OC(=O)CCc1ccc(Cl)cc1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)c1 CC(=O)Nc1cccc(c1)[*:1] Cc1cc2nc(SCC(=O)N[*:1])n(-c3ccccc3)c(=O)c2[nH]1
CC(=O)Nc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)c1 CC(=O)N[*:1] Cc1cc2nc(SCC(=O)Nc3cccc(c3)[*:1])n(-c3ccccc3)c(=O)c2[nH]1
C[C@@H](OC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] C[C@@H](OC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C)C(=O)N[*:1]
Cc1cc(C)c(NC(=S)NC(=O)c2cccs2)c(Cl)c1 c1csc(c1)[*:1] Cc1cc(C)c(NC(=S)NC(=O)[*:1])c(Cl)c1
Cc1nc2ccc(C(=O)NCCCC(C)C)cc2nc1C CC(C)C[*:1] Cc1nc2ccc(cc2nc1C)C(=O)NCC[*:1]
Cc1nc2ccc(C(=O)NCCCC(C)C)cc2nc1C CC(C)[*:1] Cc1nc2ccc(cc2nc1C)C(=O)NCCC[*:1]
Cc1nc2ccc(C(=O)NCCCC(C)C)cc2nc1C CC(C)CC[*:1] Cc1nc2ccc(cc2nc1C)C(=O)NC[*:1]
Cc1nc2ccc(C(=O)NCCCC(C)C)cc2nc1C CC(C)CCC[*:1] Cc1nc2ccc(cc2nc1C)C(=O)N[*:1]
C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(C#N)cc1
C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(C#N)cc1
C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O N#Cc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(Cc2ccc(Cl)cc2)C1=O)[*:1]
Cc1nnc(-c2cccc(C(=O)N[C@H](C)c3ccc(F)c(Cl)c3)c2)o1 Cc1nnc(o1)[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])c1ccc(F)c(Cl)c1
Cc1nnc(-c2cccc(C(=O)N[C@H](C)c3ccc(F)c(Cl)c3)c2)o1 Fc1ccc(cc1Cl)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)N[C@H](C)[*:1]
Cc1ccccc1-n1c(S[C@@H](C)C(=O)[O-])nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 Cc1ccccc1[*:1] CC(C)[C@@H]1Cc2c(CO1)sc1nc(S[C@@H](C)C(=O)[O-])n(c(=O)c21)[*:1]
Cc1ccccc1-n1c(S[C@@H](C)C(=O)[O-])nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 CC(C)[*:1] Cc1ccccc1-n1c(nc2sc3CO[C@H](Cc3c2c1=O)[*:1])S[C@@H](C)C(=O)[O-]
Cc1ccccc1-n1c(S[C@@H](C)C(=O)[O-])nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 O=C([O-])[*:1] Cc1ccccc1-n1c(nc2sc3CO[C@@H](Cc3c2c1=O)C(C)C)S[C@@H](C)[*:1]
Nc1ccc2nnc(C(F)(F)C(F)F)n2c1 FC(F)[*:1] Nc1ccc2nnc(n2c1)C(F)(F)[*:1]
CC(C)CNC(=O)NC(=O)Cn1ccnc1 CC(C)C[*:1] O=C(Cn1ccnc1)NC(=O)N[*:1]
CC(C)CNC(=O)NC(=O)Cn1ccnc1 c1cn(cn1)[*:1] CC(C)CNC(=O)NC(=O)C[*:1]
CC(C)CNC(=O)NC(=O)Cn1ccnc1 CC(C)[*:1] O=C(Cn1ccnc1)NC(=O)NC[*:1]
Cc1nccc(N2CCC3(CCC(=O)N(CCO)C3)CC2)n1 OCC[*:1] Cc1nccc(n1)N1CCC2(CCC(=O)N(C2)[*:1])CC1
Cc1nccc(N2CCC3(CCC(=O)N(CCO)C3)CC2)n1 Cc1nccc(n1)[*:1] O=C1CCC2(CCN(CC2)[*:1])CN1CCO
CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)c(N)c1 Cc1cccc(c1)[*:1] CC[C@@H](O[*:1])C(=O)Nc1ccc(Cl)c(N)c1
[NH3+][C@H](Cc1ccccc1Br)[C@@H]1CCOC2(CCOCC2)C1 Brc1ccccc1[*:1] [NH3+][C@H](C[*:1])[C@@H]1CCOC2(CCOCC2)C1
CC[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 O=S(=O)(N1CCOCC1)[*:1] CC[C@H](C)NC(=O)C1CCN(CC1)C(=O)Nc1ccc(s1)[*:1]
CC[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 CC[C@H](C)NC(=O)[*:1] O=C(Nc1ccc(s1)S(=O)(=O)N1CCOCC1)N1CCC(CC1)[*:1]
COC(=O)c1ccoc1CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 COC(=O)[*:1] CN1CCN(CC1)S(=O)(=O)c1ccc(nc1)SCc1occc1[*:1]
COC(=O)c1ccoc1CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 COC(=O)c1ccoc1[*:1] CN1CCN(CC1)S(=O)(=O)c1ccc(nc1)SC[*:1]
CC(C)Cc1nnc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 CC(C)[*:1] O=C(Nc1nnc(C[*:1])s1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1
CC(C)Cc1nnc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 CC(C)C[*:1] O=C(Nc1nnc(s1)[*:1])[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1
Cc1ccc(OCc2cccc(C(=O)/N=c3\[nH]nc4ccccn34)c2)cn1 Cc1ccc(cn1)[*:1] O=C(/N=c1\[nH]nc2ccccn12)c1cccc(c1)CO[*:1]
Cc1ccc(OCc2cccc(C(=O)/N=c3\[nH]nc4ccccn34)c2)cn1 Cc1ccc(cn1)OC[*:1] O=C(/N=c1\[nH]nc2ccccn12)c1cccc(c1)[*:1]
Cc1ccc(OCc2cccc(C(=O)/N=c3\[nH]nc4ccccn34)c2)cn1 Cc1ccc(cn1)O[*:1] O=C(/N=c1\[nH]nc2ccccn12)c1cccc(c1)C[*:1]
Cn1ncnc1CCNCc1ccc(OC(F)(F)F)cc1 Cn1ncnc1[*:1] FC(F)(F)Oc1ccc(cc1)CNCC[*:1]
Cn1ncnc1CCNCc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] Cn1ncnc1CCNCc1ccc(cc1)O[*:1]
Cn1ncnc1CCNCc1ccc(OC(F)(F)F)cc1 Cn1ncnc1C[*:1] FC(F)(F)Oc1ccc(cc1)CNC[*:1]
Cn1ncnc1CCNCc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] Cn1ncnc1CCNCc1ccc(cc1)[*:1]
CC(=O)[C@@H](C)Oc1ccc(Cl)c2ccccc12 CC(=O)[C@@H](C)[*:1] Clc1ccc(O[*:1])c2ccccc12
CC(=O)[C@@H](C)Oc1ccc(Cl)c2ccccc12 CC(=O)[*:1] C[C@@H](Oc1ccc(Cl)c2ccccc12)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1 CCOC(=O)[*:1] CC(C)(C)n1cc(cn1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1 CC(C)(C)[*:1] CCOC(=O)c1ccc(cc1)S(=O)(=O)Nc1cnn(c1)[*:1]
CC[C@H](C)NC(=O)NNC(=O)C(C)(C)C CC(C)(C)[*:1] CC[C@H](C)NC(=O)NNC(=O)[*:1]
CC[C@H](C)NC(=O)NNC(=O)C(C)(C)C CC[C@H](C)[*:1] CC(C)(C)C(=O)NNC(=O)N[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccc(Br)c(OC(F)F)c1 FC(F)O[*:1] COc1ccccc1/C=C/C(=O)Nc1ccc(Br)c(c1)[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccc(Br)c(OC(F)F)c1 FC(F)[*:1] COc1ccccc1/C=C/C(=O)Nc1ccc(Br)c(c1)O[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccc(Br)c(OC(F)F)c1 COc1ccccc1[*:1] O=C(C=C[*:1])Nc1ccc(Br)c(c1)OC(F)F
CCn1c([C@H](C#N)/C(=N\S(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21 c1csc(c1)[*:1] CCn1c(nc2ccccc21)[C@H](C#N)/C(=N\S(=O)(=O)[*:1])c1ccccc1
CCn1c([C@H](C#N)/C(=N\S(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(nc2ccccc21)[C@H](C#N)C(=NS(=O)(=O)c1cccs1)[*:1]
COCCOc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 COC[*:1] C[C@@H](NC(=O)Nc1cccc(c1)OC[*:1])c1ccc(Cl)cc1
COCCOc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 COCC[*:1] C[C@@H](NC(=O)Nc1cccc(c1)O[*:1])c1ccc(Cl)cc1
COCCOc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COCCOc1cccc(c1)NC(=O)N[C@H](C)[*:1]
COCCOc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 COCCO[*:1] C[C@@H](NC(=O)Nc1cccc(c1)[*:1])c1ccc(Cl)cc1
Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCCCC1 Clc1ccc(Cl)c(n1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)[*:1]
Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1nc(Cl)ccc1Cl
CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(CC1)[*:1]
CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(CC1)C[*:1]
CCNc1nc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cs1 O[C@@H](c1ccco1)[*:1] CCNc1nc(cs1)C(=O)N1CCC[C@@H]1C[*:1]
CCNc1nc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cs1 CCN[*:1] O=C(c1csc(n1)[*:1])N1CCC[C@@H]1C[C@@H](O)c1ccco1
CCNc1nc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cs1 c1coc(c1)[*:1] CCNc1nc(cs1)C(=O)N1CCC[C@@H]1C[C@@H](O)[*:1]
CC(=O)Nc1cccc2c1CCN(C(=O)c1[nH]c3ccccc3c1Cl)C2 CC(=O)N[*:1] O=C(c1[nH]c2ccccc2c1Cl)N1CCc2c(cccc2[*:1])C1
Cc1sc2nc(CCC(=O)N(C)Cc3nccs3)[nH]c(=O)c2c1C c1csc(n1)[*:1] Cc1sc2nc(CCC(=O)N(C)C[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CCC(=O)N(C)Cc3nccs3)[nH]c(=O)c2c1C c1csc(C[*:1])n1 Cc1sc2nc(CCC(=O)N(C)[*:1])[nH]c(=O)c2c1C
COc1ccccc1CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 COc1ccccc1[*:1] O=C(NCC[*:1])c1cnn(c1)-c1ccc(Br)cc1
COc1ccccc1CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] COc1ccccc1CCNC(=O)c1cnn(c1)[*:1]
COc1c(Cl)ccc2sc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc12 Clc1ccc(cc1)[*:1] COc1c(Cl)ccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
COc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC COc1ccc(cc1OC)[*:1] C[C@H](C(=O)NN=C[*:1])n1cnc2sc3CCCCc3c2c1=O
O=C(NCC[C@@H]1CCCO1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(NCC[C@@H]1CCCO1)N1CCC(CC1)OC[*:1]
O=C(NCC[C@@H]1CCCO1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(NCC[C@@H]1CCCO1)N1CCC(CC1)O[*:1]
CCn1cc(S(=O)(=O)[N-]c2ccccc2F)c2cccnc21 Fc1ccccc1[*:1] CCn1cc(c2cccnc21)S(=O)(=O)[N-][*:1]
O=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)N[*:1]
O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(F)cc1 c1cc(cs1)[*:1] O=C(CCc1nc(no1)[*:1])Nc1ccc(F)cc1
O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCc1nc(no1)-c1ccsc1)N[*:1]
CC(C)(CNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[*:1]
CC(C)(CNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)c1ccncc1 FC(F)(F)C[*:1] CC(C)(CNC(=O)[C@H]1CCCN1C(=O)O[*:1])c1ccncc1
CC(C)(CNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)c1ccncc1 FC(F)(F)[*:1] CC(C)(CNC(=O)[C@H]1CCCN1C(=O)OC[*:1])c1ccncc1
CN1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@H](c2ccccc2)C1 c1ccc(cc1)C[*:1] CN1CCN(C(=O)Cn2c(=O)ccn(c2=O)[*:1])[C@@H](C1)c1ccccc1
CN1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@H](C1)[*:1]
CN1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)Cn2c(=O)ccn(C[*:1])c2=O)[C@@H](C1)c1ccccc1
COc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nccn1C COc1ccccc1[*:1] Cn1ccnc1[C@H](NC(=O)N[*:1])c1ccccc1
COc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nccn1C c1ccc(cc1)[*:1] COc1ccccc1NC(=O)N[C@H](c1nccn1C)[*:1]
COc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1NC(=O)N[C@H](c1ccccc1)[*:1]
CC1CC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)C1 FC(F)(F)[*:1] CC1CC(=O)N(CC(=O)Nc2cccc(c2)[*:1])C(=O)C1
CCCCC(=O)/N=c1\sc2cc(OC)c(OC)cc2n1C CCC[*:1] COc1cc2s/c(=N\C(=O)C[*:1])n(C)c2cc1OC
CCCCC(=O)/N=c1\sc2cc(OC)c(OC)cc2n1C CCCC[*:1] COc1cc2s/c(=N\C(=O)[*:1])n(C)c2cc1OC
C[NH+](C)[C@@H](CNC(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1 Clc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)C[*:1])c1ccc(F)cc1
C[NH+](C)[C@@H](CNC(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Cc1cccc(Cl)c1)[*:1]
CC1(C)CCC[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)CC1 CS(=O)(=O)[*:1] CC1(C)CCC[C@@H](CC1)[NH2+]CC(C)(C)[*:1]
C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)C(C)(C)C)[*:1]
C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[*:1]
C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 CC(C)(C)[*:1] C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)[*:1])c1ccccc1
COC[C@H](C)OC(=O)c1ncoc1C(C)C COC[C@H](C)[*:1] CC(C)c1ocnc1C(=O)O[*:1]
COC[C@H](C)OC(=O)c1ncoc1C(C)C COC[*:1] CC(C)c1ocnc1C(=O)O[C@@H](C)[*:1]
COC[C@H](C)OC(=O)c1ncoc1C(C)C CC(C)[*:1] COC[C@H](C)OC(=O)c1ncoc1[*:1]
O=C(Oc1ccc(F)cc1Cl)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] O=C(Oc1ccc(F)cc1Cl)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Oc1ccc(F)cc1Cl)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] O=C(Oc1ccc(F)cc1Cl)[C@@H]1CC(=O)N(C1)C[*:1]
C[C@H]1CCC[C@@H]([NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 O=C1CCC(=O)N1[*:1] C[C@H]1CCC[C@H](C1)[NH+]1CCN(CC1)C(=O)C[*:1]
Cc1cc(C(=O)NC[C@H](CCO)c2ccccc2)[nH]n1 OCC[*:1] Cc1cc([nH]n1)C(=O)NC[C@H](c1ccccc1)[*:1]
Cc1cc(C(=O)NC[C@H](CCO)c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] Cc1cc([nH]n1)C(=O)NC[C@H](CCO)[*:1]
Cc1cc(C(=O)NC[C@H](CCO)c2ccccc2)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(NC[C@H](CCO)c1ccccc1)[*:1]
CCOc1ccc(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 CCO[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)CCc1ccc(cc1)[*:1]
CC[C@@H](C)C[C@@H](C)Nc1snc(C)c1C#N CC[C@@H](C)C[*:1] Cc1nsc(N[C@H](C)[*:1])c1C#N
CC[C@@H](C)C[C@@H](C)Nc1snc(C)c1C#N CC[C@@H](C)[*:1] Cc1nsc(N[C@H](C)C[*:1])c1C#N
O=C(CNc1cc(Cl)ccc1C(=O)N1CCCCC1)N1CCCCCCC1 O=C(N1CCCCC1)[*:1] O=C(CNc1cc(Cl)ccc1[*:1])N1CCCCCCC1
CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@](C)(c4cccc5ccccc45)C3=O)ccc21 c1ccc2c(cccc2c1)[*:1] CCS(=O)(=O)N1CCc2cc(ccc21)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
COc1ccc(Cl)cc1CN1CCN([C@@H](C)c2nnc(C)o2)CC1 Cc1nnc(o1)[*:1] COc1ccc(Cl)cc1CN1CCN(CC1)[C@@H](C)[*:1]
CCOc1ccc(Oc2ccc(Cl)cc2NCC(=O)NC(=O)NC)cc1 CCO[*:1] CNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1ccc(cc1)[*:1]
CCOc1ccc(Oc2ccc(Cl)cc2NCC(=O)NC(=O)NC)cc1 CNC(=O)NC(=O)C[*:1] CCOc1ccc(cc1)Oc1ccc(Cl)cc1N[*:1]
CCOc1ccc(Oc2ccc(Cl)cc2NCC(=O)NC(=O)NC)cc1 CNC(=O)NC(=O)[*:1] CCOc1ccc(cc1)Oc1ccc(Cl)cc1NC[*:1]
Clc1ccccc1-c1nnc(CN[C@@H](c2ccccc2)c2ccccn2)o1 c1ccc(cc1)[*:1] Clc1ccccc1-c1nnc(CN[C@@H](c2ccccn2)[*:1])o1
Clc1ccccc1-c1nnc(CN[C@@H](c2ccccc2)c2ccccn2)o1 c1ccc(nc1)[*:1] Clc1ccccc1-c1nnc(CN[C@@H](c2ccccc2)[*:1])o1
Clc1ccccc1-c1nnc(CN[C@@H](c2ccccc2)c2ccccn2)o1 Clc1ccccc1[*:1] c1ccc(cc1)[C@H](NCc1nnc(o1)[*:1])c1ccccn1
CCN(CC(C)(C)O)C(=O)c1csc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCN(CC(C)(C)O)C(=O)c1csc(n1)[*:1]
CCN(CC(C)(C)O)C(=O)c1csc(-c2ccc(F)cc2)n1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)c1csc(n1)-c1ccc(F)cc1
CCN(CC(C)(C)O)C(=O)c1csc(-c2ccc(F)cc2)n1 CC(C)(O)C[*:1] CCN(C(=O)c1csc(n1)-c1ccc(F)cc1)[*:1]
Cc1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)o1 Cc1ccc(C[*:1])o1 CN([C@H](C(=O)NC1CC1)c1ccccc1)[*:1]
Cc1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)o1 C1CC1[*:1] Cc1ccc(CN(C)[C@H](C(=O)N[*:1])c2ccccc2)o1
Cc1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])[C@H](C(=O)NC1CC1)c1ccccc1
Cc1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(CN(C)[C@H](C(=O)NC2CC2)[*:1])o1
Cc1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)o1 O=C(NC1CC1)[*:1] Cc1ccc(CN(C)[C@H](c2ccccc2)[*:1])o1
Cc1ccn(CC(=O)N2CCC(Cn3cc([C@H](C)O)nn3)CC2)n1 Cc1ccn(n1)[*:1] C[C@H](O)c1cn(CC2CCN(CC2)C(=O)C[*:1])nn1
Cc1ccn(CC(=O)N2CCC(Cn3cc([C@H](C)O)nn3)CC2)n1 C[C@H](O)[*:1] Cc1ccn(CC(=O)N2CCC(CC2)Cn2cc(nn2)[*:1])n1
Cc1ccn(CC(=O)N2CCC(Cn3cc([C@H](C)O)nn3)CC2)n1 Cc1ccn(C[*:1])n1 C[C@H](O)c1cn(CC2CCN(CC2)C(=O)[*:1])nn1
CC(C)C[NH+](C)Cc1ccc2c(c1)CCCN2 CC(C)[*:1] C[NH+](Cc1ccc2NCCCc2c1)C[*:1]
CC(C)C[NH+](C)Cc1ccc2c(c1)CCCN2 CC(C)C[*:1] C[NH+](Cc1ccc2NCCCc2c1)[*:1]
CC(C)CN(C1CCCC1)[C@H](C[NH3+])c1ccc(F)cc1F C1CCC(C1)[*:1] CC(C)CN([C@H](C[NH3+])c1ccc(F)cc1F)[*:1]
CC(C)CN(C1CCCC1)[C@H](C[NH3+])c1ccc(F)cc1F CC(C)[*:1] [NH3+]C[C@H](c1ccc(F)cc1F)N(C[*:1])C1CCCC1
CC(C)CN(C1CCCC1)[C@H](C[NH3+])c1ccc(F)cc1F CC(C)C[*:1] [NH3+]C[C@H](c1ccc(F)cc1F)N(C1CCCC1)[*:1]
CN(C)c1ccc(/C=N/NC(=O)/C=C\C(=O)[O-])cc1 CN(C)[*:1] O=C([O-])/C=C\C(=O)N/N=C/c1ccc(cc1)[*:1]
CN(C)c1ccc(/C=N/NC(=O)/C=C\C(=O)[O-])cc1 O=C([O-])[*:1] CN(C)c1ccc(/C=N/NC(=O)C=C[*:1])cc1
C[C@@H](Sc1nnc(-c2cccnc2)o1)C(=O)Nc1ccc2c(c1)OCO2 c1cncc(c1)[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)Nc1ccc2OCOc2c1
O=C(NCCc1c[nH]c2ccccc12)c1cn(CCC2CCCCC2)nn1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])c1cn(CCC2CCCCC2)nn1
O=C(NCCc1c[nH]c2ccccc12)c1cn(CCC2CCCCC2)nn1 C1CCC(CC1)CC[*:1] O=C(NCCc1c[nH]c2ccccc12)c1cn(nn1)[*:1]
O=C(NCCc1c[nH]c2ccccc12)c1cn(CCC2CCCCC2)nn1 C1CCC(CC1)C[*:1] O=C(NCCc1c[nH]c2ccccc12)c1cn(C[*:1])nn1
O=C(NCCc1c[nH]c2ccccc12)c1cn(CCC2CCCCC2)nn1 C1CCC(CC1)[*:1] O=C(NCCc1c[nH]c2ccccc12)c1cn(CC[*:1])nn1
Cc1ccc(CN(C)C(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)o1 Cc1ccc(C[*:1])o1 CN1C(=O)NC2(CC[NH+](CC2)CC(=O)N(C)[*:1])C1=O
Cc1ccc(CN(C)C(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2nnnn2C2CC2)c(F)c1 C1CC1n1nnnc1[*:1] Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)C[*:1])c(F)c1
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2nnnn2C2CC2)c(F)c1 Cc1ccc(c(F)c1)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1nnnn1C1CC1
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2nnnn2C2CC2)c(F)c1 C1CC1[*:1] Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2nnnn2[*:1])c(F)c1
COc1ccc(NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)c(OC)c1 c1csc(c1)[*:1] COc1ccc(NC(=O)[C@H](NC(=O)[*:1])C(C)C)c(c1)OC
COc1ccc(NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)c(OC)c1 O=C(N[*:1])c1cccs1 COc1ccc(NC(=O)[C@H](C(C)C)[*:1])c(c1)OC
COc1ccc(NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)c(OC)c1 CC(C)[*:1] COc1ccc(NC(=O)[C@H](NC(=O)c2cccs2)[*:1])c(c1)OC
CCOC(=O)c1nnsc1NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CCOC(=O)c1nnsc1NC(=O)N[*:1]
CCOC(=O)c1nnsc1NC(=O)NC1CCCCC1 CCOC(=O)[*:1] O=C(Nc1snnc1[*:1])NC1CCCCC1
NC(=O)[C@@H](SC1=NCCS1)c1ccc(F)cc1 NC(=O)[*:1] Fc1ccc(cc1)[C@H](SC1=NCCS1)[*:1]
O=C1C=C(Nc2nnc[n-]2)C[C@H](c2ccco2)C1 c1coc(c1)[*:1] O=C1C=C(C[C@H](C1)[*:1])Nc1nnc[n-]1
CCN(C[C@H](C)C#N)c1cc(C(C)=O)ccn1 CC(=O)[*:1] CCN(C[C@H](C)C#N)c1cc(ccn1)[*:1]
CCN(C[C@H](C)C#N)c1cc(C(C)=O)ccn1 C[C@H](C#N)C[*:1] CCN(c1cc(ccn1)C(C)=O)[*:1]
CCN(C[C@H](C)C#N)c1cc(C(C)=O)ccn1 C[C@H](C#N)[*:1] CCN(C[*:1])c1cc(ccn1)C(C)=O
Cc1ccc(OS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)c2ccc(cc2C1=O)S(=O)(=O)O[*:1]
CC[C@H]1CCCCN1S(=O)(=O)CC(=O)[O-] O=C([O-])[*:1] CC[C@H]1CCCCN1S(=O)(=O)C[*:1]
CC[C@H]1CCCCN1S(=O)(=O)CC(=O)[O-] O=C([O-])C[*:1] CC[C@H]1CCCCN1S(=O)(=O)[*:1]
COc1ccc(OC)c([C@H](O)c2c[nH+]cn2C2CC2)c1 C1CC1[*:1] COc1ccc(OC)c(c1)[C@H](O)c1c[nH+]cn1[*:1]
COc1ccc(C)cc1NC(=O)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)no1 COc1ccc(C)cc1[*:1] O=C(N[*:1])c1cc(no1)[C@@H]1CCCN(C1)C(=O)C1CCCCC1
COc1ccc(C)cc1NC(=O)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)no1 C1CCC(CC1)[*:1] COc1ccc(C)cc1NC(=O)c1cc(no1)[C@@H]1CCCN(C1)C(=O)[*:1]
CNS(=O)(=O)c1cc(OC)c(Cl)cc1OC CNS(=O)(=O)[*:1] COc1cc(c(cc1Cl)OC)[*:1]
C#CCN(C(=O)NCc1csc(C2CC2)n1)[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] C#CCN(C(=O)NCc1csc(n1)[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)NCc1csc(C2CC2)n1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)NCc1csc(n1)C1CC1)[*:1]
C#CCN(C(=O)NCc1csc(C2CC2)n1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(NCc1csc(n1)C1CC1)N([C@H]1CCS(=O)(=O)C1)[*:1]
COCc1ccccc1NC(=O)N(C)Cc1cccc2ccccc12 COC[*:1] CN(Cc1cccc2ccccc12)C(=O)Nc1ccccc1[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCc3cc(F)ccc3C2)c1 CO[C@H](C)C(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])N1CCc2cc(F)ccc2C1
C[C@H]1CNC(=O)CCN1Cc1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H]1CNC(=O)CCN1Cc1ccc(cc1)[*:1]
N#C[C@@H]1CN(C2C[NH2+]C2)CCO1 C1[NH2+]CC1[*:1] N#C[C@@H]1CN(CCO1)[*:1]
COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1
COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)O[*:1] O=C(C[*:1])N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1
COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)OCC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCOc1cc(F)ccc1N[C@@H](C)C(=O)Nc1cccnc1Cl CCO[*:1] C[C@H](Nc1ccc(F)cc1[*:1])C(=O)Nc1cccnc1Cl
CCOc1cc(F)ccc1N[C@@H](C)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] CCOc1cc(F)ccc1N[C@@H](C)C(=O)N[*:1]
Cc1cccc(Cn2c([C@H](C)Cl)nc3c(C)nn(C)c32)n1 Cc1cccc(n1)[*:1] Cc1nn(C)c2c1nc([C@H](C)Cl)n2C[*:1]
Cc1cccc(Cn2c([C@H](C)Cl)nc3c(C)nn(C)c32)n1 C[C@H](Cl)[*:1] Cc1cccc(Cn2c(nc3c(C)nn(C)c32)[*:1])n1
C[C@@H](NC(=O)[C@@H]1CSC(=O)N1)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1CSC(=O)N1)c1ccc(cc1)[*:1]
CCC(C)(CC)OC(=O)c1ccc([N+](=O)[O-])cc1 CCC(C)(CC)[*:1] O=C(O[*:1])c1ccc(cc1)[N+](=O)[O-]
CCC(C)(CC)OC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCC(C)(CC)OC(=O)c1ccc(cc1)[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 O=C(N[*:1])[C@H]1CCCO1 Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(c1)[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(c1)NC(=O)[*:1]
CCN[C@]1(C#N)CC[C@@H](Oc2ccc3c(c2)CCCC3)C1 CCN[*:1] N#C[C@@]1(CC[C@H](C1)Oc1ccc2CCCCc2c1)[*:1]
C[C@H](NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)c1ccccc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc2cnn(C[*:1])c2c1)c1ccccc1
C[C@H](NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)c1ccccc1 Fc1ccc(cc1)C[*:1] C[C@H](NC(=O)c1ccc2cnn(c2c1)[*:1])c1ccccc1
C[C@H](NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)[*:1]
C[C@H](NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])c1ccc2cnn(Cc3ccc(F)cc3)c2c1
COc1cccc([C@@H](C)S[C@H](C)C(C)=O)c1 CC(=O)[C@@H](C)[*:1] COc1cccc(c1)[C@@H](C)S[*:1]
COc1cccc([C@@H](C)S[C@H](C)C(C)=O)c1 CC(=O)[*:1] COc1cccc(c1)[C@@H](C)S[C@H](C)[*:1]
Cc1ccc(-n2c(SCC(=O)NCc3ccc(F)cc3F)nc3cc(C)[nH]c3c2=O)cc1 Fc1ccc(C[*:1])c(F)c1 Cc1ccc(cc1)-n1c(nc2cc(C)[nH]c2c1=O)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)NCc3ccc(F)cc3F)nc3cc(C)[nH]c3c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3F)n(c(=O)c2[nH]1)[*:1]
Cc1ccc(-n2c(SCC(=O)NCc3ccc(F)cc3F)nc3cc(C)[nH]c3c2=O)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)-n1c(nc2cc(C)[nH]c2c1=O)SCC(=O)NC[*:1]
CCC[NH2+][C@@H](c1ccc(OC)cc1C)[C@H]1CSCCO1 CCC[*:1] COc1ccc(c(C)c1)[C@H]([NH2+][*:1])[C@H]1CSCCO1
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCO[C@@H]2C)s1 Cc1ccc(s1)[*:1] C[C@H]1OCC[C@H]1C(=O)NNC(=O)[*:1]
CCn1nc(CC(C)C)cc1C(=O)N1C[C@H]2CC=C(C)C[C@H]2C1 CC(C)C[*:1] CCn1nc(cc1C(=O)N1C[C@H]2CC=C(C)C[C@H]2C1)[*:1]
CCn1nc(CC(C)C)cc1C(=O)N1C[C@H]2CC=C(C)C[C@H]2C1 CC(C)[*:1] CCn1nc(cc1C(=O)N1C[C@H]2CC=C(C)C[C@H]2C1)C[*:1]
CCS(=O)(=O)N1CCC(C(=O)OCCc2scnc2C)CC1 Cc1ncsc1C[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)OC[*:1]
CCS(=O)(=O)N1CCC(C(=O)OCCc2scnc2C)CC1 Cc1ncsc1[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)OCC[*:1]
N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 Clc1cccc(c1Cl)[*:1] N#C/C(=C/c1ccc(o1)[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] N#C/C(=C/c1ccc(o1)-c1cccc(Cl)c1Cl)C(=O)N[*:1]
N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] N#C/C(=C/c1ccc(o1)-c1cccc(Cl)c1Cl)C(=O)Nc1ccc(cc1)[*:1]
Cc1cscc1-c1nnnn1CCC(=O)[O-] O=C([O-])C[*:1] Cc1cscc1-c1nnnn1C[*:1]
Cc1cscc1-c1nnnn1CCC(=O)[O-] O=C([O-])[*:1] Cc1cscc1-c1nnnn1CC[*:1]
Cc1cscc1-c1nnnn1CCC(=O)[O-] O=C([O-])CC[*:1] Cc1cscc1-c1nnnn1[*:1]
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(F)c(F)c1 Cc1ccccc1[*:1] N#C/C(=C\c1ccc(F)c(F)c1)C(=O)N[*:1]
CC[C@H](CO)NC(=O)C(=O)N[C@H](CC)CO CC[C@H](CO)[*:1] CC[C@H](CO)NC(=O)C(=O)N[*:1]
Cn1ccnc1[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 FC(F)(F)[*:1] Cn1ccnc1[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(Cl)cc1
Cn1ccnc1[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 Cn1ccnc1[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)[*:1])c1ccc(cc1)C(F)(F)F
Cn1ccnc1[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)[*:1]
COCc1nn2c(c1-c1ccc(F)cc1)NC(=O)[C@H]2CC(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] COCc1nn2c(NC(=O)[C@H]2CC(=O)N[*:1])c1-c1ccc(F)cc1
COCc1nn2c(c1-c1ccc(F)cc1)NC(=O)[C@H]2CC(=O)Nc1cccc([N+](=O)[O-])c1 Fc1ccc(cc1)[*:1] COCc1nn2c(NC(=O)[C@H]2CC(=O)Nc2cccc(c2)[N+](=O)[O-])c1[*:1]
COCc1nn2c(c1-c1ccc(F)cc1)NC(=O)[C@H]2CC(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COCc1nn2c(NC(=O)[C@H]2CC(=O)Nc2cccc(c2)[*:1])c1-c1ccc(F)cc1
COCc1nn2c(c1-c1ccc(F)cc1)NC(=O)[C@H]2CC(=O)Nc1cccc([N+](=O)[O-])c1 COC[*:1] O=C(C[C@@H]1C(=O)Nc2c(-c3ccc(F)cc3)c(nn21)[*:1])Nc1cccc(c1)[N+](=O)[O-]
CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccncc2)cc1 c1cc(ccn1)[*:1] CCNC(=O)c1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccncc2)cc1 CCNC(=O)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccncc1
CC[C@@](O)(C(=O)[O-])[C@@H](C)c1ccc(OC(C)C)cc1 CC(C)[*:1] CC[C@@](O)(C(=O)[O-])[C@@H](C)c1ccc(cc1)O[*:1]
CC[C@@](O)(C(=O)[O-])[C@@H](C)c1ccc(OC(C)C)cc1 O=C([O-])[*:1] CC[C@@](O)([C@@H](C)c1ccc(cc1)OC(C)C)[*:1]
CC[C@@](O)(C(=O)[O-])[C@@H](C)c1ccc(OC(C)C)cc1 CC(C)O[*:1] CC[C@@](O)(C(=O)[O-])[C@@H](C)c1ccc(cc1)[*:1]
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)NCCCCl ClCC[*:1] O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)NC[*:1]
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)NCCCCl ClCCC[*:1] O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)N[*:1]
COCc1noc(CCCn2ccc3cc(Cl)ccc32)n1 COC[*:1] Clc1ccc2c(ccn2CCCc2nc(no2)[*:1])c1
C[C@H]1[C@@H]([NH3+])CCN(C[C@@H]2CCCO2)[C@H]1C C1CO[C@@H](C1)[*:1] C[C@H]1[C@@H]([NH3+])CCN(C[*:1])[C@H]1C
Cc1oc(NC(=O)[C@@H](C)n2c(N)nnc2SCC#N)c(C#N)c1C N#CC[*:1] Cc1oc(NC(=O)[C@@H](C)n2c(N)nnc2S[*:1])c(C#N)c1C
Cc1oc(NC(=O)[C@@H](C)n2c(N)nnc2SCC#N)c(C#N)c1C N#CCS[*:1] Cc1oc(NC(=O)[C@@H](C)n2c(N)nnc2[*:1])c(C#N)c1C
CCC(CC)N1C(=O)C2(CCCC2)NC(=O)C1(C)C CCC(CC)[*:1] CC1(C)C(=O)NC2(CCCC2)C(=O)N1[*:1]
COC(=O)C1CC[NH+](Cc2cc(-c3ccc(Cl)cc3Cl)no2)CC1 COC(=O)[*:1] Clc1ccc(-c2cc(C[NH+]3CCC(CC3)[*:1])on2)c(Cl)c1
COC(=O)C1CC[NH+](Cc2cc(-c3ccc(Cl)cc3Cl)no2)CC1 Clc1ccc(c(Cl)c1)[*:1] COC(=O)C1CC[NH+](CC1)Cc1cc(no1)[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)[*:1]
Cc1ccc(OC(=O)c2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OC(=O)c2cc(Cl)c3OCCCOc3c2)c(c1)[*:1]
CC[C@@H](C)N(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 CC[C@@H](C)[*:1] CN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[*:1]
CC[C@@H](C)N(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)N(C)C(=O)N[C@H](C[NH+]1CCCC1)[*:1]
CC[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(CC(C)C)cc1 CC(C)C[*:1] CC[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(cc1)[*:1]
CC[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(CC(C)C)cc1 CC(C)[*:1] CC[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(cc1)C[*:1]
CCN(CC1CC[NH2+]CC1)S(=O)(=O)N(C)C1CCCCC1 C1CCC(CC1)[*:1] CCN(CC1CC[NH2+]CC1)S(=O)(=O)N(C)[*:1]
CCCc1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[*:1]
Cc1ccc(C)c(NC(=O)Cn2nc([N+](=O)[O-])nc2Br)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)NC(=O)Cn1nc(nc1Br)[*:1]
N#C/C(=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] C1CCC(C1)O[*:1] N#C/C(=C/c1cccc(c1)[*:1])C(=O)[O-]
N#C/C(=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] O=C([O-])[*:1] N#CC(=Cc1cccc(c1)OC1CCCC1)[*:1]
N#C/C(=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] C1CCC(C1)[*:1] N#C/C(=C/c1cccc(c1)O[*:1])C(=O)[O-]
Cc1ccc(NC(=O)c2csc3c2CC[C@@H](C)C3)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)c2csc3C[C@H](C)CCc23)c(c1)[*:1]
COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nn3cnnc3s2)c1 c1nnc2sc(nn12)[*:1] COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(c1)[*:1]
CCCN1C(=O)NC(=N)[C@]12CCc1cc(Br)ccc1C2 CCC[*:1] N=C1NC(=O)N([C@@]12CCc1cc(Br)ccc1C2)[*:1]
C[C@H]1CCN(Cc2nnc(C(C)(C)C)o2)c2ccccc21 CC(C)(C)[*:1] C[C@H]1CCN(Cc2nnc(o2)[*:1])c2ccccc21
O=C(OCCO)N1CCC[C@H]1c1ccsc1 c1cc(cs1)[*:1] O=C(OCCO)N1CCC[C@@H]1[*:1]
O=C(OCCO)N1CCC[C@H]1c1ccsc1 OCC[*:1] O=C(O[*:1])N1CCC[C@H]1c1ccsc1
O=C([O-])C[C@@H]1CN(C(=O)c2ncn[n-]2)CCO1 O=C([O-])C[*:1] O=C(c1ncn[n-]1)N1CCO[C@@H](C1)[*:1]
O=C([O-])C[C@@H]1CN(C(=O)c2ncn[n-]2)CCO1 O=C([O-])[*:1] O=C(c1ncn[n-]1)N1CCO[C@@H](C1)C[*:1]
C[C@H](Cc1cccs1)N(C)S(=O)(=O)c1cnc(Cl)nc1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)S(=O)(=O)c1cnc(Cl)nc1
C[C@H](Cc1cccs1)N(C)S(=O)(=O)c1cnc(Cl)nc1 c1csc(c1)C[*:1] C[C@H](N(C)S(=O)(=O)c1cnc(Cl)nc1)[*:1]
Cc1ccc(-c2cc(CNC(=O)COc3ccc(F)cc3)no2)cc1 Fc1ccc(cc1)O[*:1] Cc1ccc(cc1)-c1cc(CNC(=O)C[*:1])no1
Cc1ccc(-c2cc(CNC(=O)COc3ccc(F)cc3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(F)cc1)NCc1cc(on1)[*:1]
Cc1ccc(-c2cc(CNC(=O)COc3ccc(F)cc3)no2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cc(CNC(=O)CO[*:1])no1
Cc1cccc(OCCN(C)C(=O)NCC(C)C)c1 CC(C)[*:1] Cc1cccc(c1)OCCN(C)C(=O)NC[*:1]
Cc1cccc(OCCN(C)C(=O)NCC(C)C)c1 CC(C)C[*:1] Cc1cccc(c1)OCCN(C)C(=O)N[*:1]
COC(C)(C)[C@H]([NH3+])[C@H]1CCOC2(CCSCC2)C1 COC(C)(C)[*:1] [NH3+][C@H]([C@H]1CCOC2(CCSCC2)C1)[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(C)on2)n1 Cc1cc(no1)[*:1] Cc1cc(C)n(CC(=O)NNC(=O)[*:1])n1
C[C@@H](C(N)=O)N1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 NC(=O)[*:1] C[C@@H](N1CCN(CC1)Cc1c[nH]nc1-c1ccccc1)[*:1]
C[C@@H](C(N)=O)N1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(N)=O)N1CCN(CC1)Cc1c[nH]nc1[*:1]
C[C@@H](C(N)=O)N1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 C[C@@H](C(N)=O)[*:1] c1ccc(cc1)-c1n[nH]cc1CN1CCN(CC1)[*:1]
Cc1ccc(Sc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1ccc(cc1)S[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
Cc1ccc(Sc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)c(C)c1 Cc1ccc(S[*:1])c(C)c1 O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
Cc1ccc(Sc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)c(C)c1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(Sc2ccc(cc2)NC(=O)c2cccc(c2)[*:1])c(C)c1
CC(C)(C)C1CN(c2cccc(Cl)c2C(=O)[O-])C1 CC(C)(C)[*:1] O=C([O-])c1c(Cl)cccc1N1CC(C1)[*:1]
CC(C)(C)C1CN(c2cccc(Cl)c2C(=O)[O-])C1 O=C([O-])[*:1] CC(C)(C)C1CN(C1)c1cccc(Cl)c1[*:1]
S=C1N=N[C@H](c2ccco2)N1/N=C/c1ccccc1 c1ccc(cc1)[*:1] S=C1N=N[C@H](c2ccco2)N1N=C[*:1]
S=C1N=N[C@H](c2ccco2)N1/N=C/c1ccccc1 c1coc(c1)[*:1] S=C1N=N[C@H](N1/N=C/c1ccccc1)[*:1]
CC(=O)Nc1ccccc1CNS(=O)(=O)c1cc(C)cc(F)c1 CC(=O)N[*:1] Cc1cc(F)cc(c1)S(=O)(=O)NCc1ccccc1[*:1]
O=Cc1ccccc1OC(=O)CCCCl ClCC[*:1] O=Cc1ccccc1OC(=O)C[*:1]
O=Cc1ccccc1OC(=O)CCCCl ClCCC[*:1] O=Cc1ccccc1OC(=O)[*:1]
Cc1ccccc1NC(=O)C[NH+]1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] Cc1ccccc1NC(=O)C[NH+]1CCN(CC1)C(=O)[*:1]
Cc1ccccc1NC(=O)C[NH+]1CCN(C(=O)c2ccco2)CC1 Cc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)C(=O)c1ccco1)N[*:1]
COc1ccc(-c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1C(F)(F)F
COc1ccc(-c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)c1ccccc1[*:1]
Cc1ccc(C)c(-c2csc(NC(=O)c3ccnn3C)c2C#N)c1 Cn1nccc1[*:1] Cc1ccc(C)c(c1)-c1csc(NC(=O)[*:1])c1C#N
Cc1ccc(C)c(-c2csc(NC(=O)c3ccnn3C)c2C#N)c1 Cc1ccc(C)c(c1)[*:1] Cn1nccc1C(=O)Nc1scc(c1C#N)[*:1]
CCn1cc(NC(=O)C(=O)NCC2(O)CCCCC2)ccc1=O OC1(CCCCC1)[*:1] CCn1cc(ccc1=O)NC(=O)C(=O)NC[*:1]
Cc1cccc(NC(=O)N2CCN(Cc3cn(C)c4ccccc34)CC2)c1 Cc1cccc(c1)[*:1] Cn1cc(CN2CCN(CC2)C(=O)N[*:1])c2ccccc21
Cc1c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)oc2ccc(Br)cc12 O=C(NC1CC1)[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)OCC(=O)Nc1ccccc1[*:1]
Cc1c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)oc2ccc(Br)cc12 C1CC1[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)OCC(=O)Nc1ccccc1C(=O)N[*:1]
Cn1ccnc1S(=O)(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1 Cn1ccnc1[*:1] N#C/C(=C/c1ccc(cc1)C(F)(F)F)S(=O)(=O)[*:1]
Cn1ccnc1S(=O)(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cn1ccnc1S(=O)(=O)/C(C#N)=C\c1ccc(cc1)[*:1]
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N[*:1]
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)CN1C(=O)SC(=C[*:1])C1=O
COc1ccc(C(=O)N[C@@H](NC[C@H]2CCCO2)C(Cl)(Cl)Cl)cc1 C1CO[C@H](C1)CN[*:1] COc1ccc(cc1)C(=O)N[C@@H](C(Cl)(Cl)Cl)[*:1]
COc1ccc(C(=O)N[C@@H](NC[C@H]2CCCO2)C(Cl)(Cl)Cl)cc1 C1CO[C@H](C1)C[*:1] COc1ccc(cc1)C(=O)N[C@@H](N[*:1])C(Cl)(Cl)Cl
COc1ccc(C(=O)N[C@@H](NC[C@H]2CCCO2)C(Cl)(Cl)Cl)cc1 ClC(Cl)(Cl)[*:1] COc1ccc(cc1)C(=O)N[C@@H](NC[C@H]1CCCO1)[*:1]
COc1ccc(C(=O)N[C@@H](NC[C@H]2CCCO2)C(Cl)(Cl)Cl)cc1 C1CO[C@H](C1)[*:1] COc1ccc(cc1)C(=O)N[C@@H](NC[*:1])C(Cl)(Cl)Cl
NNc1ncc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] NNc1ncc(c(N)n1)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)c1cnn(CC)c1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)c1cnn(c1)CC
COc1cccc(C(=O)N2CCCN(C(C)=O)CC2)c1OC(F)F FC(F)[*:1] COc1cccc(C(=O)N2CCCN(CC2)C(C)=O)c1O[*:1]
COc1cccc(C(=O)N2CCCN(C(C)=O)CC2)c1OC(F)F FC(F)O[*:1] COc1cccc(C(=O)N2CCCN(CC2)C(C)=O)c1[*:1]
Cc1ccsc1C(=O)NC[C@@H](C)Oc1ccccc1 Cc1ccsc1[*:1] C[C@H](CNC(=O)[*:1])Oc1ccccc1
Cc1ccsc1C(=O)NC[C@@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] Cc1ccsc1C(=O)NC[C@@H](C)O[*:1]
O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3cccc[nH+]3)CC2)cc1 O=[N+]([O-])[*:1] c1ccc([nH+]c1)N1CC[NH+](CCc2ccc(cc2)[*:1])CC1
Cc1[nH+]c(NC[C@@](C)(O)C(C)C)ccc1I CC(C)[*:1] Cc1[nH+]c(ccc1I)NC[C@@](C)(O)[*:1]
COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)o2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
Cc1cc(NC(=O)CCC(=O)/N=C2/N=N[C@H](C3CCCCC3)S2)ccc1Br C1CCC(CC1)[*:1] Cc1cc(ccc1Br)NC(=O)CCC(=O)/N=C1/N=N[C@H](S1)[*:1]
Cc1cc(NC(=O)CCC(=O)/N=C2/N=N[C@H](C3CCCCC3)S2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(CCC(=O)N[*:1])/N=C1/N=N[C@@H](S1)C1CCCCC1
Cc1cc(CN2CCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)no1 Cc1cc(C[*:1])no1 O=C(C[C@H](O)c1cccc(F)c1)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)no1 Cc1cc(no1)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)no1 Fc1cccc(c1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)C[C@H](O)[*:1])no1
Cc1cccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)c1 Cc1cccc(c1)[*:1] O=C(Nc1nnc(s1)-c1ccc(Br)cc1)[*:1]
Cc1cccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)c1 Brc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)Nc1nnc(s1)[*:1]
Cc1oc(C(=O)NCCSc2ccccc2)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] Cc1oc(cc1[*:1])C(=O)NCCSc1ccccc1
Cc1oc(C(=O)NCCSc2ccccc2)cc1S(=O)(=O)N1CCCC1 c1ccc(cc1)SC[*:1] Cc1oc(cc1S(=O)(=O)N1CCCC1)C(=O)NC[*:1]
Cc1oc(C(=O)NCCSc2ccccc2)cc1S(=O)(=O)N1CCCC1 c1ccc(cc1)S[*:1] Cc1oc(cc1S(=O)(=O)N1CCCC1)C(=O)NCC[*:1]
Cc1oc(C(=O)NCCSc2ccccc2)cc1S(=O)(=O)N1CCCC1 c1ccc(cc1)[*:1] Cc1oc(cc1S(=O)(=O)N1CCCC1)C(=O)NCCS[*:1]
C[C@H]1CC(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)C[C@H](C)O1 c1cncc(c1)CO[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
C[C@H]1CC(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)C[C@H](C)O1 c1cncc(c1)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccc(O[*:1])c(Cl)c1
C[C@H]1CC(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)C[C@H](C)O1 c1cncc(c1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccc(OC[*:1])c(Cl)c1
COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2-c1ccccc1 C1CC1[*:1] COC(=O)c1cc(nc2c1c(=O)n(Cc1ccc(cc1)OC)c(=O)n2-c1ccccc1)[*:1]
COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2-c1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1cc(nc2c1c(=O)n(Cc1ccc(cc1)OC)c(=O)n2[*:1])C1CC1
COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2-c1ccccc1 COc1ccc(cc1)[*:1] COC(=O)c1cc(nc2c1c(=O)n(C[*:1])c(=O)n2-c1ccccc1)C1CC1
COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2-c1ccccc1 COc1ccc(cc1)C[*:1] COC(=O)c1cc(nc2c1c(=O)n(c(=O)n2-c1ccccc1)[*:1])C1CC1
COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2-c1ccccc1 COC(=O)[*:1] COc1ccc(cc1)Cn1c(=O)c2c(cc(nc2n(-c2ccccc2)c1=O)C1CC1)[*:1]
CCS(=O)(=O)CCn1ccc(NC(=O)[C@@H]2CCO[C@H]2C)n1 CCS(=O)(=O)CC[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1ccn(n1)[*:1]
CCS(=O)(=O)CCn1ccc(NC(=O)[C@@H]2CCO[C@H]2C)n1 CCS(=O)(=O)C[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1ccn(C[*:1])n1
CCS(=O)(=O)CCn1ccc(NC(=O)[C@@H]2CCO[C@H]2C)n1 CCS(=O)(=O)[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1ccn(CC[*:1])n1
COc1cc(C)c([C@H](C)NC(=O)C[C@H](C)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1cc(C)c(cc1OC)[C@H](C)NC(=O)C[C@H](C)[*:1]
COc1cc(C)c([C@H](C)NC(=O)C[C@H](C)c2ccccc2)cc1OC C[C@H](c1ccccc1)[*:1] COc1cc(C)c(cc1OC)[C@H](C)NC(=O)C[*:1]
O=S(=O)(NCCN1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=S(=O)(NCCN1CCN(CC1)c1ccc(F)cc1)[*:1]
O=S(=O)(NCCN1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1F Fc1ccc(cc1)[*:1] O=S(=O)(NCCN1CCN(CC1)[*:1])c1c(F)cccc1F
CCN1C(=O)c2c(C(=O)NCc3ccccc3F)ncn2C[C@@]1(C)C(=O)NC1CCCC1 Fc1ccccc1[*:1] CCN1C(=O)c2c(ncn2C[C@@]1(C)C(=O)NC1CCCC1)C(=O)NC[*:1]
CCN1C(=O)c2c(C(=O)NCc3ccccc3F)ncn2C[C@@]1(C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CCN1C(=O)c2c(ncn2C[C@@]1(C)C(=O)N[*:1])C(=O)NCc1ccccc1F
CCN1C(=O)c2c(C(=O)NCc3ccccc3F)ncn2C[C@@]1(C)C(=O)NC1CCCC1 Fc1ccccc1C[*:1] CCN1C(=O)c2c(ncn2C[C@@]1(C)C(=O)NC1CCCC1)C(=O)N[*:1]
CCN1C(=O)c2c(C(=O)NCc3ccccc3F)ncn2C[C@@]1(C)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] CCN1C(=O)c2c(ncn2C[C@]1(C)[*:1])C(=O)NCc1ccccc1F
C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC[C@@H]2CC(C)(C)C)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CCC[C@@H]1C[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC[C@@H]2CC(C)(C)C)C1 CC(C)(C)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CCC[C@H]1[*:1]
CN(C)C(=O)Cn1cc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)cn1 Fc1ccc(cc1)[*:1] CN(C)C(=O)Cn1cc(cn1)NC(=O)NC[C@@H](O)[*:1]
CN(C)C(=O)Cn1cc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)cn1 CN(C)C(=O)C[*:1] O=C(NC[C@@H](O)c1ccc(F)cc1)Nc1cnn(c1)[*:1]
CN(C)C(=O)Cn1cc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)cn1 CN(C)C(=O)[*:1] O=C(NC[C@@H](O)c1ccc(F)cc1)Nc1cnn(c1)C[*:1]
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O Clc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O)[*:1]
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O Fc1cccc(c1)[*:1] C[C@]1(NC(=O)N(C[C@@H](O)[*:1])C1=O)c1ccc(Cl)cc1
COc1ccc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)nn1 c1ccc2c(c1)ncn2[*:1] COc1ccc(nn1)C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)nn1 COc1ccc(nn1)[*:1] O=C(NCc1ccc(cc1)-n1cnc2ccccc21)[*:1]
CCCNc1nnc(-c2ccc(Cl)s2)s1 CCC[*:1] Clc1ccc(s1)-c1nnc(N[*:1])s1
CCCNc1nnc(-c2ccc(Cl)s2)s1 CCCN[*:1] Clc1ccc(s1)-c1nnc(s1)[*:1]
CCc1noc(CN(CC)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)n1 Cc1cc(C)n(C[*:1])n1 CCc1noc(CN(CC)C(=O)c2ccc(cc2)[*:1])n1
CCc1noc(CN(CC)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)n1 CCc1noc(n1)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)Cn1nc(C)cc1C
CCc1noc(CN(CC)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)n1 Cc1cc(C)n(n1)[*:1] CCc1noc(CN(CC)C(=O)c2ccc(cc2)C[*:1])n1
CCc1noc(CN(CC)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)n1 CCc1noc(C[*:1])n1 CCN(C(=O)c1ccc(cc1)Cn1nc(C)cc1C)[*:1]
Cc1c(C(=O)N(C)Cc2ccc(F)cc2)[nH]c2c1C(=O)CCC2 Fc1ccc(cc1)[*:1] Cc1c([nH]c2CCCC(=O)c21)C(=O)N(C)C[*:1]
C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)Cc2ccc(OC)cc2)C1 C=C(C)[*:1] COc1ccc(cc1)CC(=O)NN=C1C[C@@H](CC=C1C)[*:1]
O=C(/C=C/c1ccccc1)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1)NNc1ccc(cc1[N+](=O)[O-])[*:1]
O=C(/C=C/c1ccccc1)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(C=C[*:1])NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
O=C(/C=C/c1ccccc1)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] C(=C[*:1])c1ccccc1 O=C(NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[*:1]
O=C(/C=C/c1ccccc1)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1)NNc1ccc(cc1[*:1])[N+](=O)[O-]
O=C(c1cncc(Br)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 Brc1cncc(c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccs1)[*:1]
O=C(c1cncc(Br)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1cncc(Br)c1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CC1CCCC1 C1CCC(C1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CC1CCCC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)CC1CCCC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CC1CCCC1 C1CCC(C1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[*:1]
COc1cccc(NC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)c1 COc1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)N[*:1])c1nnc2CCCn21
COc1cccc(NC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)c1 C1Cc2nnc(n2C1)[*:1] COc1cccc(c1)NC(=O)N[C@@H](C(C)C)[*:1]
COc1cccc(NC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)c1 CC(C)[*:1] COc1cccc(c1)NC(=O)N[C@@H](c1nnc2CCCn21)[*:1]
CCOC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCSCC1 CCOC(=O)[*:1] O=S(=O)(N1CCSCC1)N1CCCC[C@@H]1[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NCCCC(C)(C)C CC(C)(C)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCCC[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NCCCC(C)(C)C CC(C)(C)C[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCC[*:1]
CC(C)(C(=O)Nc1ccn(CCC(N)=O)n1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)(C(=O)Nc1ccn(CCC(N)=O)n1)[*:1]
CC(C)(C(=O)Nc1ccn(CCC(N)=O)n1)c1cccc(Cl)c1 NC(=O)CC[*:1] CC(C)(C(=O)Nc1ccn(n1)[*:1])c1cccc(Cl)c1
CC(C)(C(=O)Nc1ccn(CCC(N)=O)n1)c1cccc(Cl)c1 NC(=O)C[*:1] CC(C)(C(=O)Nc1ccn(C[*:1])n1)c1cccc(Cl)c1
CC(C)(C(=O)Nc1ccn(CCC(N)=O)n1)c1cccc(Cl)c1 NC(=O)[*:1] CC(C)(C(=O)Nc1ccn(CC[*:1])n1)c1cccc(Cl)c1
CNC(=O)C[NH+](C)CCC(=O)Nc1c(N)cc(Cl)cc1Cl CNC(=O)[*:1] C[NH+](CCC(=O)Nc1c(N)cc(Cl)cc1Cl)C[*:1]
CNC(=O)C[NH+](C)CCC(=O)Nc1c(N)cc(Cl)cc1Cl CNC(=O)C[*:1] C[NH+](CCC(=O)Nc1c(N)cc(Cl)cc1Cl)[*:1]
CCCc1cc(=O)oc2cc(OS(=O)(=O)c3cccnc3)ccc12 CCC[*:1] O=c1cc(c2ccc(cc2o1)OS(=O)(=O)c1cccnc1)[*:1]
CCCc1cc(=O)oc2cc(OS(=O)(=O)c3cccnc3)ccc12 c1cncc(c1)[*:1] CCCc1cc(=O)oc2cc(ccc12)OS(=O)(=O)[*:1]
Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc3occc3n2C)cc1 Cn1c(cc2occc21)[*:1] Cc1ccc(cc1)C(=O)c1oc2ccccc2c1NC(=O)[*:1]
Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc3occc3n2C)cc1 Cc1ccc(cc1)[*:1] Cn1c(cc2occc21)C(=O)Nc1c(oc2ccccc12)C(=O)[*:1]
Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc3occc3n2C)cc1 Cc1ccc(cc1)C(=O)[*:1] Cn1c(cc2occc21)C(=O)Nc1c(oc2ccccc12)[*:1]
C[C@@H](CO)C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C[C@@H](CO)C[NH2+][C@H]1CC[C@@H](C1)NC(=O)O[*:1]
C[C@@H](CO)C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 C[C@@H](CO)[*:1] CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C1)[NH2+]C[*:1]
CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1Cl Clc1ccccc1[*:1] CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)[*:1]
CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1Cl Cc1ccc(cc1)[*:1] CCN([C@@H](C)C(=O)N[*:1])S(=O)(=O)c1ccccc1Cl
C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](CO)c1ccccc1F Fc1ccccc1[*:1] C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](CO)[*:1]
C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](CO)c1ccccc1F c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N[C@@H](CO)c1ccccc1F
CCCC[C@@H](CC)CNC(=O)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] CCCC[C@@H](CC)CNC(=O)N1CCn2c(C1)nnc2[*:1]
CCCC[C@@H](CC)CNC(=O)N1CCn2c(nnc2-c2ccccc2)C1 CCC[*:1] CC[C@@H](CNC(=O)N1CCn2c(C1)nnc2-c1ccccc1)C[*:1]
CCCC[C@@H](CC)CNC(=O)N1CCn2c(nnc2-c2ccccc2)C1 CCCC[*:1] CC[C@@H](CNC(=O)N1CCn2c(C1)nnc2-c1ccccc1)[*:1]
CCc1ccc(/N=C2/NC(=O)[C@H](CC(=O)c3ccccc3)S2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)/N=C1/NC(=O)[C@H](CC(=O)[*:1])S1
CCc1ccc(/N=C2/NC(=O)[C@H](CC(=O)c3ccccc3)S2)cc1 O=C(c1ccccc1)[*:1] CCc1ccc(cc1)/N=C1/NC(=O)[C@H](C[*:1])S1
CCc1ccc(/N=C2/NC(=O)[C@H](CC(=O)c3ccccc3)S2)cc1 CCc1ccc(cc1)[*:1] O=C(C[C@@H]1SC(=N[*:1])NC1=O)c1ccccc1
C[C@@H]1C[C@@]1(O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H]1C[C@@]1(O)c1ccc(cc1)[*:1]
C[C@@H]1C[C@@]1(O)c1ccc(C(F)(F)F)cc1 C[C@@H]1C[C@]1(O)[*:1] FC(F)(F)c1ccc(cc1)[*:1]
Cn1nc2c(cc1=O)C[NH+](Cc1ccn(-c3ccc(F)cc3)n1)CC2 Fc1ccc(cc1)[*:1] Cn1nc2CC[NH+](Cc3ccn(n3)[*:1])Cc2cc1=O
[NH3+]C1(c2nc(Cc3cccnc3)no2)CCCCC1 c1cncc(c1)[*:1] [NH3+]C1(CCCCC1)c1nc(C[*:1])no1
CC(=O)N1CCc2c1cccc2[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=O)N1CCc2c1cccc2[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)C1 Fc1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1nnc(s1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)C1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1nnc(C[*:1])s1
CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1 c1cc(ccn1)[*:1] CN(C)C(=O)[C@]1(CCCN(C1)C(=O)[C@@H]1CCCO1)Cc1ccc(cc1)[*:1]
CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1 CN(C)C(=O)[*:1] O=C([C@@H]1CCCO1)N1CCC[C@](Cc2ccc(cc2)-c2ccncc2)(C1)[*:1]
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NN=C[*:1]
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)[*:1]
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)c1 Cc1cccc(c1)C(=O)N[*:1] O=C(N/N=C/c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1]
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)c1 Cc1cccc(c1)[*:1] O=C(N/N=C/c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 NC(=O)[*:1] O=C(Nc1cc(ccc1N1CCCC1)[*:1])c1cccc(c1)S(=O)(=O)N1CCCCC1
NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 O=S(=O)(N1CCCCC1)[*:1] NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)[*:1])N1CCCC1
NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 C1CCN(C1)[*:1] NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1)[*:1]
Cc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2)s1 Cc1ccc(s1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(Cl)nc1
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCc3cccnc3)c(Cl)cc12 c1cncc(c1)C[*:1] Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[*:1])c(Cl)cc12
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCc3cccnc3)c(Cl)cc12 c1cncc(c1)[*:1] Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[*:1])c(Cl)cc12
CCc1cc(OCC(=O)[O-])nc(Nc2ccc(C)c(F)c2)n1 O=C([O-])[*:1] CCc1cc(nc(n1)Nc1ccc(C)c(F)c1)OC[*:1]
CCc1cc(OCC(=O)[O-])nc(Nc2ccc(C)c(F)c2)n1 O=C([O-])C[*:1] CCc1cc(nc(n1)Nc1ccc(C)c(F)c1)O[*:1]
CCc1cc(OCC(=O)[O-])nc(Nc2ccc(C)c(F)c2)n1 O=C([O-])CO[*:1] CCc1cc(nc(n1)Nc1ccc(C)c(F)c1)[*:1]
COc1ccc(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cn1 COc1ccc(cn1)[*:1] O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NC[*:1]
Cc1ccc(N(C(=O)C2CCCC2)[C@H]2C=CS(=O)(=O)C2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)N(C(=O)[*:1])[C@H]1C=CS(=O)(=O)C1
Cc1ccc(N(C(=O)C2CCCC2)[C@H]2C=CS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] O=C(C1CCCC1)N([C@H]1C=CS(=O)(=O)C1)[*:1]
Cc1ncsc1[C@@H]1N[C@H](C(=O)[O-])C(C)(C)S1 O=C([O-])[*:1] Cc1ncsc1[C@@H]1N[C@H](C(C)(C)S1)[*:1]
CC(C)CN(C)S(=O)(=O)c1ccc(O)c(N)c1 CC(C)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(O)c(N)c1
CC(C)CN(C)S(=O)(=O)c1ccc(O)c(N)c1 CC(C)C[*:1] CN(S(=O)(=O)c1ccc(O)c(N)c1)[*:1]
CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)n(C)c1C COC(=O)[*:1] CCOc1ccccc1[N-]S(=O)(=O)c1cc(n(C)c1C)[*:1]
CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)n(C)c1C CCO[*:1] COC(=O)c1cc(c(C)n1C)S(=O)(=O)[N-]c1ccccc1[*:1]
Cc1cc(N)cc(C)c1S(=O)(=O)N[C@H]1CCCOC1 C1COC[C@H](C1)[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)N[*:1]
C[C@@H]1C(=O)N(Cc2cnn(-c3ccccc3)c2)C(=O)N1c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H]1C(=O)N(Cc2cnn(c2)[*:1])C(=O)N1c1ccc(F)cc1
C[C@@H]1C(=O)N(Cc2cnn(-c3ccccc3)c2)C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1C(=O)N(Cc2cnn(c2)-c2ccccc2)C(=O)N1[*:1]
C[C@H]1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C[C@H](C)O1 Clc1ccc(cc1)C[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccccc1O[*:1]
C[C@H]1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C[C@H](C)O1 Clc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccccc1OC[*:1]
O=C(Nc1nnc(-c2ccsc2)s1)N1CCc2cc(F)ccc2C1 c1cc(cs1)[*:1] O=C(Nc1nnc(s1)[*:1])N1CCc2cc(F)ccc2C1
CN(CC(C)(C)O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CC(C)(O)[*:1] CN(C[*:1])C(=O)NCC1CCN(CC1)c1cc[nH+]cc1
CN(CC(C)(C)O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CC(C)(O)C[*:1] CN(C(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CC(C)C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cccs1 c1csc(c1)[*:1] CC(C)C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)[*:1]
CC(C)C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cccs1 CC(C)[*:1] O=S1(=O)CCC[C@H]1C[NH2+][C@@H](C[*:1])c1cccs1
CC(C)C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cccs1 CC(C)C[*:1] O=S1(=O)CCC[C@H]1C[NH2+][C@H](c1cccs1)[*:1]
C[C@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@@H]1C C[C@H]1C[C@@H]1[*:1] C[C@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)[*:1]
O=c1[nH]c(CN2CCC[C@H](Cn3cncn3)C2)nc2ccccc12 c1ncn(n1)[*:1] O=c1[nH]c(CN2CCC[C@@H](C2)C[*:1])nc2ccccc12
O=c1[nH]c(CN2CCC[C@H](Cn3cncn3)C2)nc2ccccc12 c1ncn(C[*:1])n1 O=c1[nH]c(CN2CCC[C@H](C2)[*:1])nc2ccccc12
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccc2)cc1Cl COc1ccc(cc1Cl)[*:1] Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(cn23)[*:1])n(C)c1=O
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccc2)cc1Cl c1ccc(cc1)C[*:1] COc1ccc(cc1Cl)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1[*:1]
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1C[*:1]
COc1cc2c(cc1NC(=O)CC(C)C)oc1ccccc12 CC(C)CC(=O)N[*:1] COc1cc2c(cc1[*:1])oc1ccccc12
COc1cc2c(cc1NC(=O)CC(C)C)oc1ccccc12 CC(C)[*:1] COc1cc2c(cc1NC(=O)C[*:1])oc1ccccc12
COc1cc2c(cc1NC(=O)CC(C)C)oc1ccccc12 CC(C)C[*:1] COc1cc2c(cc1NC(=O)[*:1])oc1ccccc12
Cc1nc2cc([N+](=O)[O-])cc(N3CCOCC3)c2c(=O)n1C C1CN(CCO1)[*:1] Cc1nc2cc(cc(c2c(=O)n1C)[*:1])[N+](=O)[O-]
Cc1nc2cc([N+](=O)[O-])cc(N3CCOCC3)c2c(=O)n1C O=[N+]([O-])[*:1] Cc1nc2cc(cc(c2c(=O)n1C)N1CCOCC1)[*:1]
O=C(COc1ccccc1F)Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1 Fc1ccccc1OC[*:1] O=C(Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1)[*:1]
O=C(COc1ccccc1F)Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1 Fc1ccccc1[*:1] O=C(CO[*:1])Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1
O=C(COc1ccccc1F)Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1 O=c1cc(nc2sccn12)[*:1] O=C(COc1ccccc1F)Nc1cc(Cl)ccc1OC[*:1]
O=C(COc1ccccc1F)Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1 Fc1ccccc1O[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1
C[C@H](NC(=O)N[C@@H]1CCc2ccccc21)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@@H]1CCc2ccccc21)c1noc(C[*:1])n1
C[C@H](NC(=O)N[C@@H]1CCc2ccccc21)c1noc(Cc2ccccc2)n1 c1ccc2c(c1)CC[C@H]2[*:1] C[C@H](NC(=O)N[*:1])c1noc(Cc2ccccc2)n1
C[C@H](NC(=O)N[C@@H]1CCc2ccccc21)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N[C@@H]1CCc2ccccc21)c1noc(n1)[*:1]
c1csc(-c2noc(Cn3ccnc3)n2)c1 c1csc(c1)[*:1] c1cn(cn1)Cc1nc(no1)[*:1]
c1csc(-c2noc(Cn3ccnc3)n2)c1 c1cn(cn1)[*:1] c1csc(c1)-c1noc(C[*:1])n1
CCCCN1C[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)CC1=O CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCCCN1C[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)CC1=O CCCC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)c1nc(C[S@](=O)CCCCC#N)cs1 N#CC[*:1] CC(C)c1nc(cs1)C[S@](=O)CCC[*:1]
CC(C)c1nc(C[S@](=O)CCCCC#N)cs1 N#CCC[*:1] CC(C)c1nc(cs1)C[S@](=O)CC[*:1]
CC(C)c1nc(C[S@](=O)CCCCC#N)cs1 N#CCCC[*:1] CC(C)c1nc(cs1)C[S@](=O)C[*:1]
CC(C)c1nc(C[S@](=O)CCCCC#N)cs1 CC(C)[*:1] N#CCCCC[S@@](=O)Cc1csc(n1)[*:1]
CCC[NH2+][C@H](CSc1ccccc1)c1cscc1Br CCC[*:1] Brc1cscc1[C@@H](CSc1ccccc1)[NH2+][*:1]
CCC[NH2+][C@H](CSc1ccccc1)c1cscc1Br Brc1cscc1[*:1] CCC[NH2+][C@H](CSc1ccccc1)[*:1]
CCC[NH2+][C@H](CSc1ccccc1)c1cscc1Br c1ccc(cc1)[*:1] CCC[NH2+][C@H](CS[*:1])c1cscc1Br
COc1ccc(/C=C/C(=O)c2ccccc2)cc1S(=O)(=O)[O-] O=S(=O)([O-])[*:1] COc1ccc(/C=C/C(=O)c2ccccc2)cc1[*:1]
COc1ccc(/C=C/C(=O)c2ccccc2)cc1S(=O)(=O)[O-] c1ccc(cc1)[*:1] COc1ccc(/C=C/C(=O)[*:1])cc1S(=O)(=O)[O-]
C[NH2+][C@H](c1ccn(Cc2cc(COC)on2)c1)C(C)C CC(C)[*:1] C[NH2+][C@H](c1ccn(c1)Cc1cc(COC)on1)[*:1]
C[NH2+][C@H](c1ccn(Cc2cc(COC)on2)c1)C(C)C COC[*:1] C[NH2+][C@H](c1ccn(c1)Cc1cc(on1)[*:1])C(C)C
NC(=O)c1ccc(NC(=O)NCc2ccc(F)cc2)c(F)c1 Fc1ccc(cc1)[*:1] NC(=O)c1ccc(NC(=O)NC[*:1])c(F)c1
NC(=O)c1ccc(NC(=O)NCc2ccc(F)cc2)c(F)c1 NC(=O)[*:1] O=C(NCc1ccc(F)cc1)Nc1ccc(cc1F)[*:1]
O=C1CCC2(CCN(C(=O)[C@@H]3CCCCO3)CC2)CN1Cc1ccccn1 c1ccc(C[*:1])nc1 O=C([C@@H]1CCCCO1)N1CCC2(CCC(=O)N(C2)[*:1])CC1
O=C1CCC2(CCN(C(=O)[C@@H]3CCCCO3)CC2)CN1Cc1ccccn1 c1ccc(nc1)[*:1] O=C1CCC2(CCN(CC2)C(=O)[C@@H]2CCCCO2)CN1C[*:1]
C[C@H](CC(=O)N1CCN(C[C@@H]2CCOC2)CC1)Cc1ccc(Cl)cc1 C1C[C@H](CO1)[*:1] C[C@H](CC(=O)N1CCN(CC1)C[*:1])Cc1ccc(Cl)cc1
C[C@H](CC(=O)N1CCN(C[C@@H]2CCOC2)CC1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)N1CCN(CC1)C[C@@H]1CCOC1)C[*:1]
C[C@H](CC(=O)N1CCN(C[C@@H]2CCOC2)CC1)Cc1ccc(Cl)cc1 C1C[C@H](CO1)C[*:1] C[C@H](CC(=O)N1CCN(CC1)[*:1])Cc1ccc(Cl)cc1
C[C@H](CC(=O)N1CCN(C[C@@H]2CCOC2)CC1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@H](CC(=O)N1CCN(CC1)C[C@@H]1CCOC1)[*:1]
COCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1cccnc1 COC[*:1] O=C(N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1cccnc1)[*:1]
COCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1cccnc1 c1cncc(c1)[*:1] COCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1[*:1]
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 C1CCC(C1)[*:1] C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)[*:1]
O=C(NCCN1CCOCC1)NCc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] O=C(NCCN1CCOCC1)NCc1ccc(cc1)C[*:1]
O=C(NCCN1CCOCC1)NCc1ccc(Cn2cncn2)cc1 C1CN(CCO1)[*:1] O=C(NCC[*:1])NCc1ccc(cc1)Cn1cncn1
O=C(NCCN1CCOCC1)NCc1ccc(Cn2cncn2)cc1 C1CN(CCO1)CC[*:1] O=C(NCc1ccc(cc1)Cn1cncn1)N[*:1]
O=C(NCCN1CCOCC1)NCc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 O=C(NCCN1CCOCC1)NCc1ccc(cc1)[*:1]
O=C(NCCN1CCOCC1)NCc1ccc(Cn2cncn2)cc1 C1CN(CCO1)C[*:1] O=C(NCc1ccc(cc1)Cn1cncn1)NC[*:1]
COC(=O)Cc1nn(-c2ccc(C)cc2)c2c1nnc1nc(-c3ccccc3Cl)nn12 COC(=O)C[*:1] Cc1ccc(cc1)-n1nc(c2nnc3nc(nn3c21)-c1ccccc1Cl)[*:1]
COC(=O)Cc1nn(-c2ccc(C)cc2)c2c1nnc1nc(-c3ccccc3Cl)nn12 Clc1ccccc1[*:1] COC(=O)Cc1nn(-c2ccc(C)cc2)c2c1nnc1nc(nn12)[*:1]
COC(=O)Cc1nn(-c2ccc(C)cc2)c2c1nnc1nc(-c3ccccc3Cl)nn12 Cc1ccc(cc1)[*:1] COC(=O)Cc1nn(c2c1nnc1nc(nn12)-c1ccccc1Cl)[*:1]
COC(=O)Cc1nn(-c2ccc(C)cc2)c2c1nnc1nc(-c3ccccc3Cl)nn12 COC(=O)[*:1] Cc1ccc(cc1)-n1nc(C[*:1])c2nnc3nc(nn3c21)-c1ccccc1Cl
C[C@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)N2CCCC2)c1)c1ccccc1 C[C@H](C[*:1])c1ccccc1 CN(C(=O)c1ccc(=O)n(c1)CC(=O)N1CCCC1)[*:1]
C[C@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)N2CCCC2)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CN(C)C(=O)c1ccc(=O)n(c1)CC(=O)N1CCCC1)[*:1]
C[C@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)N2CCCC2)c1)c1ccccc1 O=C(N1CCCC1)[*:1] C[C@H](CN(C)C(=O)c1ccc(=O)n(c1)C[*:1])c1ccccc1
C[C@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)N2CCCC2)c1)c1ccccc1 O=C(C[*:1])N1CCCC1 C[C@H](CN(C)C(=O)c1ccc(=O)n(c1)[*:1])c1ccccc1
C[C@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)N2CCCC2)c1)c1ccccc1 C[C@H](c1ccccc1)[*:1] CN(C[*:1])C(=O)c1ccc(=O)n(c1)CC(=O)N1CCCC1
Cc1cccc(C[NH+](CC/C(N)=N/O)C2CC2)n1 N/C(=N\O)[*:1] Cc1cccc(C[NH+](CC[*:1])C2CC2)n1
Cc1cccc(C[NH+](CC/C(N)=N/O)C2CC2)n1 C1CC1[*:1] Cc1cccc(C[NH+](CC/C(N)=N/O)[*:1])n1
Cc1cccc(C[NH+](CC/C(N)=N/O)C2CC2)n1 N/C(C[*:1])=N\O Cc1cccc(C[NH+](C[*:1])C2CC2)n1
Cc1cccc(C[NH+](CC/C(N)=N/O)C2CC2)n1 N/C(CC[*:1])=N\O Cc1cccc(C[NH+](C2CC2)[*:1])n1
Cc1ccc(C[C@@H](C#N)Sc2nc(N)c(C#N)cc2C#N)cc1 Cc1ccc(cc1)[*:1] N#Cc1cc(C#N)c(nc1N)S[C@H](C#N)C[*:1]
CN(C)c1nc(CNCc2ccccc2-n2cccn2)cs1 CN(C)[*:1] c1ccc(c(c1)CNCc1csc(n1)[*:1])-n1cccn1
CN(C)c1nc(CNCc2ccccc2-n2cccn2)cs1 c1cnn(c1)[*:1] CN(C)c1nc(cs1)CNCc1ccccc1[*:1]
Cc1nc([C@@H]2CC[NH2+]C2)ncc1C(N)=O NC(=O)[*:1] Cc1nc(ncc1[*:1])[C@@H]1CC[NH2+]C1
Cc1csc([C@@H](C)NC(=O)c2coc(COc3ccc4ncccc4c3)n2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)c1coc(COc2ccc3ncccc3c2)n1)[*:1]
C[C@H](c1ccco1)N(C)C(=O)[C@H]1CCCO1 c1coc(c1)[*:1] C[C@H](N(C)C(=O)[C@H]1CCCO1)[*:1]
C[C@H](c1ccco1)N(C)C(=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](c1ccco1)N(C)C(=O)[*:1]
OC[C@H](CC[C@@H]1CCCO1)c1cccc(Br)c1 C1CO[C@@H](C1)[*:1] OC[C@H](CC[*:1])c1cccc(Br)c1
O=C(NCc1ccc(F)cc1)c1cc(C2CC[NH+](Cc3cccs3)CC2)no1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])c1cc(no1)C1CC[NH+](CC1)Cc1cccs1
O=C(NCc1ccc(F)cc1)c1cc(C2CC[NH+](Cc3cccs3)CC2)no1 c1csc(c1)C[*:1] O=C(NCc1ccc(F)cc1)c1cc(no1)C1CC[NH+](CC1)[*:1]
O=C(NCc1ccc(F)cc1)c1cc(C2CC[NH+](Cc3cccs3)CC2)no1 c1csc(c1)[*:1] O=C(NCc1ccc(F)cc1)c1cc(no1)C1CC[NH+](CC1)C[*:1]
O=C(NCc1ccc(F)cc1)c1cc(C2CC[NH+](Cc3cccs3)CC2)no1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1cc(no1)C1CC[NH+](CC1)Cc1cccs1
CC[C@@H](NC(=O)c1cc2cccc(Cl)c2o1)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H](NC(=O)c1cc2cccc(Cl)c2o1)[*:1]
C#CCC[C@H]([NH2+]C)[C@@H]1CSCCO1 C#CCC[*:1] C[NH2+][C@H]([C@@H]1CSCCO1)[*:1]
C#CCC[C@H]([NH2+]C)[C@@H]1CSCCO1 C#CC[*:1] C[NH2+][C@@H](C[*:1])[C@@H]1CSCCO1
c1ccc(SC2(C[NH2+]Cc3cccnc3)CC2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)C[NH2+]CC1(CC1)S[*:1]
c1ccc(SC2(C[NH2+]Cc3cccnc3)CC2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)SC1(CC1)C[NH2+]C[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ccnc(Cl)c1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCCN1C(=O)c1ccnc(Cl)c1)O[*:1]
C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)C1CCCCC1 C1CCC(CC1)[*:1] C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)[*:1]
C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)C1CCCCC1 C=CC[*:1] C=CCN(C(=O)[C@H]1CCCN1C(=O)C1CCCCC1)[*:1]
CC[NH+](CC)C[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 O=[N+]([O-])[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C(=O)c1c[nH]c2ccc(cc12)[*:1]
C#CCNC(=O)c1ccc(NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)nc1 CN(C)C(=O)[*:1] C#CCNC(=O)c1ccc(nc1)NC[C@H]1CC[C@@H](O1)[*:1]
C#CCNC(=O)c1ccc(NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)nc1 C#CCNC(=O)[*:1] CN(C)C(=O)[C@@H]1CC[C@H](CNc2ccc(cn2)[*:1])O1
C#CCNC(=O)c1ccc(NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)nc1 C#CC[*:1] CN(C)C(=O)[C@@H]1CC[C@H](CNc2ccc(cn2)C(=O)N[*:1])O1
COC[C@]1(O)CCCc2ccccc21 COC[*:1] O[C@@]1(CCCc2ccccc21)[*:1]
CCc1nn(C)c(NC[C@H](OC)c2ccccc2Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(NC[C@H](OC)c2ccccc2Cl)c1[*:1]
CCc1nn(C)c(NC[C@H](OC)c2ccccc2Cl)c1[N+](=O)[O-] Clc1ccccc1[*:1] CCc1nn(C)c(NC[C@H](OC)[*:1])c1[N+](=O)[O-]
COc1ccc(N2C[C@@H](C(=O)N[C@@H](Cn3cnc4ccccc43)c3ccc(F)cc3)CC2=O)cc1 c1ccc2c(c1)ncn2[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[C@@H](C[*:1])c1ccc(F)cc1
COc1ccc(N2C[C@@H](C(=O)N[C@@H](Cn3cnc4ccccc43)c3ccc(F)cc3)CC2=O)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[C@@H](Cn1cnc2ccccc21)[*:1]
COc1ccc(N2C[C@@H](C(=O)N[C@@H](Cn3cnc4ccccc43)c3ccc(F)cc3)CC2=O)cc1 c1ccc2c(c1)ncn2C[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
COc1ccc(N2C[C@@H](C(=O)N[C@@H](Cn3cnc4ccccc43)c3ccc(F)cc3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@H]1CC(=O)N(C1)[*:1]
Cc1cnc(Cl)nc1N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cnc(Cl)nc1N[C@@H](CO)C[*:1]
CSc1nc2ccccc2c(=O)n1CC(=O)[O-] O=C([O-])C[*:1] CSc1nc2ccccc2c(=O)n1[*:1]
CSc1nc2ccccc2c(=O)n1CC(=O)[O-] O=C([O-])[*:1] CSc1nc2ccccc2c(=O)n1C[*:1]
COc1ccccc1C(=O)Nc1c(N2CCCC2)c2ccccc2oc1=O COc1ccccc1[*:1] O=C(Nc1c(c2ccccc2oc1=O)N1CCCC1)[*:1]
COc1ccccc1C(=O)Nc1c(N2CCCC2)c2ccccc2oc1=O C1CCN(C1)[*:1] COc1ccccc1C(=O)Nc1c(c2ccccc2oc1=O)[*:1]
[NH3+][C@H](c1ccccc1)c1nnc(-c2ccncc2Cl)o1 c1ccc(cc1)[*:1] [NH3+][C@H](c1nnc(o1)-c1ccncc1Cl)[*:1]
O=S(=O)(c1cccnc1)N1CCC(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(c1cccnc1)N1CCC(CC1)[*:1]
O=S(=O)(c1cccnc1)N1CCC(c2ccc(F)cc2)CC1 c1cncc(c1)[*:1] O=S(=O)(N1CCC(CC1)c1ccc(F)cc1)[*:1]
CSc1nsc(NC(=O)C(C)(C)Oc2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CSc1nsc(n1)NC(=O)C(C)(C)O[*:1]
CSc1nsc(NC(=O)C(C)(C)Oc2cccc(Cl)c2)n1 CSc1nsc(n1)[*:1] CC(C)(Oc1cccc(Cl)c1)C(=O)N[*:1]
CC(C)=CC(=O)N(C)CC(=O)N1CCCC1 CC(C)=C[*:1] CN(CC(=O)N1CCCC1)C(=O)[*:1]
CN(CC1(CO)CC1)C(=O)[C@H](c1ccc(F)cc1)N(C)C OCC1(CC1)[*:1] CN(C[*:1])C(=O)[C@H](c1ccc(F)cc1)N(C)C
CN(CC1(CO)CC1)C(=O)[C@H](c1ccc(F)cc1)N(C)C Fc1ccc(cc1)[*:1] CN(CC1(CO)CC1)C(=O)[C@H](N(C)C)[*:1]
CN(CC1(CO)CC1)C(=O)[C@H](c1ccc(F)cc1)N(C)C CN(C)[*:1] CN(CC1(CO)CC1)C(=O)[C@H](c1ccc(F)cc1)[*:1]
CN(CC1(CO)CC1)C(=O)[C@H](c1ccc(F)cc1)N(C)C OCC1(CC1)C[*:1] CN(C)[C@H](C(=O)N(C)[*:1])c1ccc(F)cc1
COc1ccc([N+](=O)[O-])cc1OC(=O)/C=C/C(C)(C)C CC(C)(C)C=C[*:1] COc1ccc(cc1OC(=O)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1OC(=O)/C=C/C(C)(C)C CC(C)(C)[*:1] COc1ccc(cc1OC(=O)C=C[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1OC(=O)/C=C/C(C)(C)C O=[N+]([O-])[*:1] COc1ccc(cc1OC(=O)/C=C/C(C)(C)C)[*:1]
N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 O=C(NC1CCCC1)[*:1] N#CC(=C1N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21)[*:1]
N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 C1CCC(C1)[*:1] N#C/C(C(=O)N[*:1])=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21
N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 Clc1ccc(c(Cl)c1)[*:1] N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)[*:1])c2ccccc21
Cc1oc(-c2ccco2)nc1C[NH+]1CCN(C[C@@H](C)O)CC1 C[C@@H](O)C[*:1] Cc1oc(nc1C[NH+]1CCN(CC1)[*:1])-c1ccco1
Cc1oc(-c2ccco2)nc1C[NH+]1CCN(C[C@@H](C)O)CC1 c1coc(c1)[*:1] Cc1oc(nc1C[NH+]1CCN(CC1)C[C@@H](C)O)[*:1]
Cc1oc(-c2ccco2)nc1C[NH+]1CCN(C[C@@H](C)O)CC1 C[C@@H](O)[*:1] Cc1oc(nc1C[NH+]1CCN(CC1)C[*:1])-c1ccco1
Cc1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])OCC(F)(F)F
Cc1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1cc(ccc1[N+](=O)[O-])OC[*:1]
Cc1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] FC(F)(F)C[*:1] Cc1cc(ccc1[N+](=O)[O-])O[*:1]
NC(=O)C1=C(N)Oc2nc([O-])[nH]c(=O)c2[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] NC(=O)C1=C(N)Oc2nc([O-])[nH]c(=O)c2[C@H]1[*:1]
NC(=O)C1=C(N)Oc2nc([O-])[nH]c(=O)c2[C@@H]1c1ccccc1Cl NC(=O)[*:1] NC1Oc2nc([O-])[nH]c(=O)c2[C@@H](C=1[*:1])c1ccccc1Cl
C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)[*:1]
C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc2ccccc12 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)C(=O)[*:1])c1cccc2ccccc12
C=CCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2ccccc21 C=CC[*:1] O=C(/N=c1\sc2ccccc2n1[*:1])[C@H]1COc2ccccc2O1
C[C@H]1C[C@@H]1CN(C)C(=O)c1cc(C(F)(F)F)ccc1NN FC(F)(F)[*:1] C[C@H]1C[C@@H]1CN(C)C(=O)c1cc(ccc1NN)[*:1]
C[C@@H](CS)Cn1nc([O-])ccc1=O C[C@@H](CS)[*:1] O=c1ccc([O-])nn1C[*:1]
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1NC(=O)N[C@H]1C[C@@H]1[*:1])C(=O)N(C)C
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1C[C@H]1c1ccccc1 CCO[*:1] CN(C)C(=O)c1ccc(c(c1)NC(=O)N[C@H]1C[C@H]1c1ccccc1)[*:1]
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1C[C@H]1c1ccccc1 CN(C)C(=O)[*:1] CCOc1ccc(cc1NC(=O)N[C@H]1C[C@H]1c1ccccc1)[*:1]
C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@@H](C)C(=O)N(C)C C[C@H](Cl)[*:1] C[C@@H](C(=O)N(C)C)n1c(nc2cc(Br)cnc21)[*:1]
C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@@H](C)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@@H](C)[*:1]
COc1cc(OC)cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 O=S(=O)(N1CCCCCC1)[*:1] COc1cc(cc(c1)C(=O)Nc1ccc(C)c(c1)[*:1])OC
COc1cc(OC)cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 COc1cc(cc(c1)[*:1])OC Cc1ccc(cc1S(=O)(=O)N1CCCCCC1)NC(=O)[*:1]
C=CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1cccc(Cl)c1 C=CC[*:1] O=C(CN(S(=O)(=O)c1cccc(Cl)c1)[*:1])NC1CCCC1
C=CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1cccc(Cl)c1 C1CCC(C1)[*:1] C=CCN(CC(=O)N[*:1])S(=O)(=O)c1cccc(Cl)c1
C=CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C=CCN(CC(=O)NC1CCCC1)S(=O)(=O)[*:1]
Cc1c(Br)cccc1C(=O)N[C@@H](C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(Br)cccc1C(=O)N[C@@H](C(N)=O)[*:1]
Cc1c(Br)cccc1C(=O)N[C@@H](C(N)=O)c1ccccc1 NC(=O)[*:1] Cc1c(Br)cccc1C(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[NH+](CC(C)(C)CCC#N)C1CCC1 N#CC[*:1] CC(C)[NH+](CC(C)(C)C[*:1])C1CCC1
CC(C)[NH+](CC(C)(C)CCC#N)C1CCC1 N#CCC[*:1] CC(C)[NH+](CC(C)(C)[*:1])C1CCC1
CC(C)[NH+](CC(C)(C)CCC#N)C1CCC1 C1CC(C1)[*:1] CC(C)[NH+](CC(C)(C)CCC#N)[*:1]
CC(C)[NH+](CC(C)(C)CCC#N)C1CCC1 CC(C)[*:1] CC(C)(CCC#N)C[NH+](C1CCC1)[*:1]
Cc1cccc(CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)c1 Cc1cccc(c1)C[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@H](C)S(=O)(=O)[*:1]
Cc1cccc(CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)c1 Cc1cccc(c1)[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@H](C)S(=O)(=O)C[*:1]
Cc1cccc(CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)c1 Cc1ccccc1[*:1] Cc1cccc(c1)CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)[*:1]
Cc1cc(N2C(=O)CN(Cc3cccs3)C2=S)ccc1Cl c1csc(c1)C[*:1] Cc1cc(ccc1Cl)N1C(=O)CN(C1=S)[*:1]
Cc1cc(N2C(=O)CN(Cc3cccs3)C2=S)ccc1Cl c1csc(c1)[*:1] Cc1cc(ccc1Cl)N1C(=O)CN(C[*:1])C1=S
CC(C)(C)n1cc(C(=O)NC[C@H](O)COc2cccc3ccccc23)cn1 CC(C)(C)n1cc(cn1)[*:1] O=C(NC[C@H](O)COc1cccc2ccccc12)[*:1]
CC(C)(C)n1cc(C(=O)NC[C@H](O)COc2cccc3ccccc23)cn1 CC(C)(C)[*:1] O=C(NC[C@H](O)COc1cccc2ccccc12)c1cnn(c1)[*:1]
CCN(Cc1ccco1)[C@H](C[NH3+])c1cncn1C1CC1 c1coc(c1)[*:1] CCN(C[*:1])[C@H](C[NH3+])c1cncn1C1CC1
CCN(Cc1ccco1)[C@H](C[NH3+])c1cncn1C1CC1 C1CC1[*:1] CCN(Cc1ccco1)[C@H](C[NH3+])c1cncn1[*:1]
CCN(Cc1ccco1)[C@H](C[NH3+])c1cncn1C1CC1 c1coc(c1)C[*:1] CCN([C@H](C[NH3+])c1cncn1C1CC1)[*:1]
O=C(Cc1ccncc1)[C@H]1CCOC2(CCCCC2)C1 c1cc(ccn1)[*:1] O=C(C[*:1])[C@H]1CCOC2(CCCCC2)C1
C[C@@H](O)CCN(C)C(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)OC[*:1] C[C@@H](O)CCN(C)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](O)CCN(C)C(=O)Nc1ccc(COC(C)(C)C)cc1 C[C@@H](O)[*:1] CN(CC[*:1])C(=O)Nc1ccc(cc1)COC(C)(C)C
C[C@@H](O)CCN(C)C(=O)Nc1ccc(COC(C)(C)C)cc1 C[C@@H](O)C[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)COC(C)(C)C
C[C@@H](O)CCN(C)C(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)O[*:1] C[C@@H](O)CCN(C)C(=O)Nc1ccc(cc1)C[*:1]
C[C@@H](O)CCN(C)C(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)[*:1] C[C@@H](O)CCN(C)C(=O)Nc1ccc(cc1)CO[*:1]
CCC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)N1CCOCC1 Fc1ccc(cc1)[*:1] CCC[NH2+][C@@H](C(C)(C)N1CCOCC1)[*:1]
CCC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)N1CCOCC1 CCC[*:1] CC(C)([C@@H]([NH2+][*:1])c1ccc(F)cc1)N1CCOCC1
CCC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] CCC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)[*:1]
CC[NH2+][C@H](C=C(C)C)[C@@H](C)OC CO[C@H](C)[*:1] CC[NH2+][C@H](C=C(C)C)[*:1]
CC[NH2+][C@H](C=C(C)C)[C@@H](C)OC CC(C)=C[*:1] CC[NH2+][C@H]([C@@H](C)OC)[*:1]
C[C@H](C(=O)Nc1ccc(CC#N)cc1)N1CCN(c2nccs2)CC1 N#CC[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])N1CCN(CC1)c1nccs1
C[C@H](C(=O)Nc1ccc(CC#N)cc1)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)CC#N)N1CCN(CC1)[*:1]
O=S(=O)(CCC1CC1)NCC1(O)CCSCC1 C1CC1CC[*:1] O=S(=O)(NCC1(O)CCSCC1)[*:1]
O=S(=O)(CCC1CC1)NCC1(O)CCSCC1 C1CC1C[*:1] O=S(=O)(C[*:1])NCC1(O)CCSCC1
O=S(=O)(CCC1CC1)NCC1(O)CCSCC1 C1CC1[*:1] O=S(=O)(CC[*:1])NCC1(O)CCSCC1
O=C1Nc2ccc([N+](=O)[O-])cc2C12OCCO2 O=[N+]([O-])[*:1] O=C1Nc2ccc(cc2C12OCCO2)[*:1]
Cc1oc(-c2cccs2)nc1CSc1cccc(N)c1 c1csc(c1)[*:1] Cc1oc(nc1CSc1cccc(N)c1)[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H](C)c1cnn(C)c1 Fc1ccc(cc1)O[*:1] C[C@@H](NC(=O)NNC(=O)[C@H](C)[*:1])c1cnn(C)c1
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H](C)c1cnn(C)c1 C[C@H](c1cnn(C)c1)[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H](C)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H](C)[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[C@H](C)c1cnn(C)c1 Fc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)N[C@H](C)c1cnn(C)c1
Cc1cc(Cl)ccc1NC(=O)N1CCOC[C@H]1CC(C)C CC(C)[*:1] Cc1cc(Cl)ccc1NC(=O)N1CCOC[C@H]1C[*:1]
Cc1cc(Cl)ccc1NC(=O)N1CCOC[C@H]1CC(C)C CC(C)C[*:1] Cc1cc(Cl)ccc1NC(=O)N1CCOC[C@@H]1[*:1]
CC[C@H](C)c1ccc(NC(=O)CN2C(=O)CC(C)CC2=O)cc1 CC[C@H](C)[*:1] CC1CC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C(=O)C1
C/[NH+]=C(/NCC(=O)Nc1cccnc1)N[C@H]1C[C@H](C)N(c2ccccc2)C1 c1cncc(c1)[*:1] C/[NH+]=C(/NCC(=O)N[*:1])N[C@H]1C[C@H](C)N(C1)c1ccccc1
C/[NH+]=C(/NCC(=O)Nc1cccnc1)N[C@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCC(=O)Nc1cccnc1)N[C@H]1C[C@H](C)N(C1)[*:1]
C/[NH+]=C(/NCC(=O)Nc1cccnc1)N[C@H]1C[C@H](C)N(c2ccccc2)C1 O=C(Nc1cccnc1)[*:1] C/[NH+]=C(/NC[*:1])N[C@H]1C[C@H](C)N(C1)c1ccccc1
COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc(C)ccc2C)c(OC)c1 Cc1ccc(C)c(c1)[*:1] COc1ccc(c(c1)OC)[C@@H](C)[NH2+][C@H](C)C(=O)N[*:1]
CSCc1ccnc(NCCNC(=O)C2CC2)c1 CSC[*:1] O=C(NCCNc1cc(ccn1)[*:1])C1CC1
CSCc1ccnc(NCCNC(=O)C2CC2)c1 C1CC1[*:1] CSCc1ccnc(c1)NCCNC(=O)[*:1]
CSCc1ccnc(NCCNC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 CSCc1ccnc(c1)NCC[*:1]
CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1OC(F)F FC(F)O[*:1] CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1[*:1]
CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1OC(F)F FC(F)[*:1] CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1O[*:1]
N#Cc1cccc(CNC[C@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)CNC[C@H](O)[*:1]
COc1ccc(CNC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1F Fc1cccc(c1)[*:1] COc1ccc(cc1F)CNC(=O)N1CCC[C@@H]1[*:1]
CN(C)C(=O)N1CCn2nc(CNC(=O)c3ccc4c(c3)OCO4)cc2C1 c1cc2OCOc2cc1[*:1] CN(C)C(=O)N1CCn2nc(cc2C1)CNC(=O)[*:1]
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[*:1]
NC(=O)c1cc(NC(=O)CCCCO)ccc1Cl OCCCC[*:1] NC(=O)c1cc(ccc1Cl)NC(=O)[*:1]
NC(=O)c1cc(NC(=O)CCCCO)ccc1Cl OCCC[*:1] NC(=O)c1cc(ccc1Cl)NC(=O)C[*:1]
NC(=O)c1cc(NC(=O)CCCCO)ccc1Cl OCC[*:1] NC(=O)c1cc(ccc1Cl)NC(=O)CC[*:1]
NC(=O)c1cc(NC(=O)CCCCO)ccc1Cl NC(=O)[*:1] O=C(CCCCO)Nc1ccc(Cl)c(c1)[*:1]
C[C@H](C(=O)N(C)[C@@H](C)Cc1cccs1)c1ccc2c(c1)OCCO2 c1csc(c1)[*:1] C[C@H](C(=O)N(C)[C@@H](C)C[*:1])c1ccc2OCCOc2c1
C[C@H](C(=O)N(C)[C@@H](C)Cc1cccs1)c1ccc2c(c1)OCCO2 C[C@@H](Cc1cccs1)[*:1] C[C@H](C(=O)N(C)[*:1])c1ccc2OCCOc2c1
C[C@H](C(=O)N(C)[C@@H](C)Cc1cccs1)c1ccc2c(c1)OCCO2 c1csc(c1)C[*:1] C[C@H](C(=O)N(C)[C@@H](C)[*:1])c1ccc2OCCOc2c1
COc1ccc([C@@H](C)C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)[C@H](C)[*:1]
COc1ccc([C@@H](C)C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)[C@@H](C)C(=O)Nc1ccc(C)c(c1)[*:1]
CC(C)(C)NC(=O)N[C@@H](c1ccccc1)c1ccccn1 CC(C)(C)[*:1] O=C(N[C@@H](c1ccccc1)c1ccccn1)N[*:1]
CC(C)(C)NC(=O)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)N[C@@H](c1ccccn1)[*:1]
CC(C)(C)NC(=O)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)(C)NC(=O)N[C@@H](c1ccccc1)[*:1]
CS(=O)(=O)CCSc1nnc(C2CC2)s1 C1CC1[*:1] CS(=O)(=O)CCSc1nnc(s1)[*:1]
CS(=O)(=O)CCSc1nnc(C2CC2)s1 CS(=O)(=O)[*:1] C(C[*:1])Sc1nnc(s1)C1CC1
CS(=O)(=O)CCSc1nnc(C2CC2)s1 CS(=O)(=O)C[*:1] C1CC1c1nnc(SC[*:1])s1
Cc1cccc(C(=O)N2CCN(c3nc4c(C)c(C)ccc4s3)CC2)c1 Cc1cccc(c1)[*:1] Cc1ccc2sc(nc2c1C)N1CCN(CC1)C(=O)[*:1]
Cc1ccccc1N1CCCN(C(=O)c2ccnc3ccccc23)CC1 Cc1ccccc1[*:1] O=C(c1ccnc2ccccc12)N1CCCN(CC1)[*:1]
COCCNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 COCCNC(=O)[*:1] Cc1ccc(cc1)-c1cc(c2ccccc2n1)[*:1]
COCCNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 Cc1ccc(cc1)[*:1] COCCNC(=O)c1cc(nc2ccccc12)[*:1]
COCCNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 COCC[*:1] Cc1ccc(cc1)-c1cc(C(=O)N[*:1])c2ccccc2n1
COCCNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 COC[*:1] Cc1ccc(cc1)-c1cc(C(=O)NC[*:1])c2ccccc2n1
CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N[C@H](C)[*:1]
CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)s2)cc1 CC(=O)[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1ccc(Cl)s1
CC(C)CNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC(C)CNC(=O)N1CCN(CC1)C(=O)CO[*:1]
CC(C)CNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 CC(C)[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 CC(C)C[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)C(=O)N[*:1]
CC(C)CNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)O[*:1] CC(C)CNC(=O)N1CCN(CC1)C(=O)C[*:1]
CCc1nnc2sc(-c3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)nn12 Clc1ccc(c(Cl)c1)[*:1] CCc1nnc2sc(nn12)-c1ccc(cc1)NC(=O)CO[*:1]
CCc1nnc2sc(-c3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)nn12 Clc1ccc(O[*:1])c(Cl)c1 CCc1nnc2sc(nn12)-c1ccc(cc1)NC(=O)C[*:1]
CC[NH2+][C@@H](Cc1cccc(O)c1)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CC[NH2+][C@@H](Cc1cccc(O)c1)[*:1]
CC(C)Oc1ccccc1CCC(=O)N1CCc2nnc(C(C)C)n2CC1 CC(C)[*:1] CC(C)c1nnc2CCN(CCn21)C(=O)CCc1ccccc1O[*:1]
CC(C)Oc1ccccc1CCC(=O)N1CCc2nnc(C(C)C)n2CC1 CC(C)[*:1] CC(C)Oc1ccccc1CCC(=O)N1CCc2nnc(n2CC1)[*:1]
CC(C)Oc1ccccc1CCC(=O)N1CCc2nnc(C(C)C)n2CC1 CC(C)O[*:1] CC(C)c1nnc2CCN(CCn21)C(=O)CCc1ccccc1[*:1]
O=C(Nc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)co1)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1nc(co1)C(=O)N1CCN(CC=C[*:1])CC1)c1ccco1
O=C(Nc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)co1)c1ccco1 C(=C[*:1])c1ccccc1 O=C(Nc1nc(co1)C(=O)N1CCN(CC1)C[*:1])c1ccco1
O=C(Nc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)co1)c1ccco1 c1coc(c1)[*:1] O=C(c1coc(n1)NC(=O)[*:1])N1CCN(C/C=C/c2ccccc2)CC1
O=C(Nc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)co1)c1ccco1 C(=C/c1ccccc1)\C[*:1] O=C(Nc1nc(co1)C(=O)N1CCN(CC1)[*:1])c1ccco1
O=C(Nc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)co1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(c1coc(n1)[*:1])N1CCN(C/C=C/c2ccccc2)CC1
CCC[NH2+][C@H](C=C(C)C)[C@H]1CCCOC1 CC(C)=C[*:1] CCC[NH2+][C@H]([C@H]1CCCOC1)[*:1]
CCC[NH2+][C@H](C=C(C)C)[C@H]1CCCOC1 CCC[*:1] CC(C)=C[C@@H]([NH2+][*:1])[C@H]1CCCOC1
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCO2)ccc1C COc1ccccc1[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])C(=O)NC[C@@H]1CCCO1
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCO2)ccc1C O=C(NC[C@@H]1CCCO1)[*:1] COc1ccccc1NS(=O)(=O)c1cc(ccc1C)[*:1]
CCc1ncc(C[NH2+]CCNC(=O)c2ccc(Cl)cc2)s1 CCc1ncc(s1)[*:1] O=C(NCC[NH2+]C[*:1])c1ccc(Cl)cc1
CCc1ncc(C[NH2+]CCNC(=O)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCc1ncc(C[NH2+]CCNC(=O)[*:1])s1
N#C[C@@H](C(=O)C1CCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cn1 Clc1ccc(nc1)[*:1] N#C[C@@H](C(=O)C1CCN(CC1)[*:1])c1ccc(F)cn1
N#C[C@@H](C(=O)C1CCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@@H](C(=O)C1CCN(CC1)c1ccc(Cl)cn1)[*:1]
CCN1C[C@@H](CN(C)C(=O)c2cccc(CN3CCCC3=O)c2)Oc2ccccc21 O=C1CCCN1[*:1] CCN1C[C@@H](CN(C)C(=O)c2cccc(c2)C[*:1])Oc2ccccc21
CCN1C[C@@H](CN(C)C(=O)c2cccc(CN3CCCC3=O)c2)Oc2ccccc21 O=C1CCCN1C[*:1] CCN1C[C@@H](CN(C)C(=O)c2cccc(c2)[*:1])Oc2ccccc21
COC[C@@](C)(NC(=O)c1oc2c(c1C)C(=O)CCC2)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@](C)(NC(=O)c1oc2CCCC(=O)c2c1C)[*:1]
COC[C@@](C)(NC(=O)c1oc2c(c1C)C(=O)CCC2)c1ccccc1 COC[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N[C@](C)(c1ccccc1)[*:1]
C[C@H](NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccc(cc1)[*:1]
C[C@H](NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 O=[N+]([O-])[*:1] C[C@H](NC(=O)[C@H]1C[C@H]1[*:1])c1ccc(cc1)-n1ccnc1
Cc1cccc(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3C)CC2)c1 Cc1cccc(c1)C[*:1] Cn1c(Cn2ccnc2)nnc1C1CC[NH+](CC1)[*:1]
Cc1cccc(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3C)CC2)c1 c1cn(cn1)C[*:1] Cc1cccc(c1)C[NH+]1CCC(CC1)c1nnc(n1C)[*:1]
Cc1cccc(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3C)CC2)c1 c1cn(cn1)[*:1] Cc1cccc(c1)C[NH+]1CCC(CC1)c1nnc(C[*:1])n1C
Cc1cccc(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3C)CC2)c1 Cc1cccc(c1)[*:1] Cn1c(Cn2ccnc2)nnc1C1CC[NH+](CC1)C[*:1]
O=C1NC[C@H](c2ccc(F)cc2)Cc2[nH]c(-c3ccc(CO)cc3)nc21 OCc1ccc(cc1)[*:1] O=C1NC[C@@H](Cc2[nH]c(nc21)[*:1])c1ccc(F)cc1
O=C1NC[C@H](c2ccc(F)cc2)Cc2[nH]c(-c3ccc(CO)cc3)nc21 Fc1ccc(cc1)[*:1] O=C1NC[C@H](Cc2[nH]c(nc21)-c1ccc(cc1)CO)[*:1]
O=C(Cc1ccc(F)cc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O Fc1ccccc1[*:1] O=C(Cc1ccc(F)cc1)NCCN1C(=O)SC(=C[*:1])C1=O
O=C(Cc1ccc(F)cc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O Fc1ccc(cc1)[*:1] O=C(C[*:1])NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O
O=C(Cc1ccc(F)cc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O Fc1ccc(cc1)C[*:1] O=C1S/C(=C\c2ccccc2F)C(=O)N1CCNC(=O)[*:1]
Nc1ccc(SCCSc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] Nc1ccc(cc1)SCCSc1cccc(c1)[*:1]
Nc1ccc(SCCSc2cccc(C(F)(F)F)c2)cc1 Nc1ccc(cc1)[*:1] FC(F)(F)c1cccc(c1)SCCS[*:1]
COc1ccc(CC(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1ccn(Cc2cccc3ccccc23)n1)[*:1]
COc1ccc(CC(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccn(Cc2cccc3ccccc23)n1
c1nc(SC[C@@H]2CO2)c2[nH]cnc2n1 C1O[C@@H]1C[*:1] c1nc(S[*:1])c2[nH]cnc2n1
c1nc(SC[C@@H]2CO2)c2[nH]cnc2n1 C1O[C@@H]1[*:1] c1nc(SC[*:1])c2[nH]cnc2n1
O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccc(Cn2ccnc2)cc1 c1cn(cn1)C[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccc(cc1)[*:1]
O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccc(Cn2ccnc2)cc1 c1cn(cn1)[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccc(cc1)C[*:1]
O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1cccc(F)c1 c1cc(cs1)[*:1] O=C(NC[C@@H]([NH+]1CCCCCC1)[*:1])C(=O)Nc1cccc(F)c1
O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)N[*:1]
Cc1cc(=O)[nH]c(-c2ccc(NCC(C)(C)NS(C)(=O)=O)nc2)n1 CC(C)(NS(C)(=O)=O)[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(nc1)NC[*:1]
Cc1cc(=O)[nH]c(-c2ccc(NCC(C)(C)NS(C)(=O)=O)nc2)n1 Cc1cc(=O)[nH]c(n1)[*:1] CC(C)(CNc1ccc(cn1)[*:1])NS(C)(=O)=O
Cc1cc(=O)[nH]c(-c2ccc(NCC(C)(C)NS(C)(=O)=O)nc2)n1 CS(=O)(=O)N[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(nc1)NCC(C)(C)[*:1]
CC(=O)N1CCc2cc(C(=O)Nc3ccc(Cl)nc3)ccc21 Clc1ccc(cn1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N[*:1]
C[C@@H](C(=O)Nc1nccs1)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 c1csc(n1)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C1=[NH+]CC(C)(C)S1
Cc1nc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cs1 Cc1nc(cs1)[*:1] O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1C(=O)[*:1]
Cc1nc(C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cs1 Clc1ccc(c(Cl)c1)[*:1] Cc1nc(cs1)C(=O)N1CCCC[C@H]1C(=O)N[*:1]
CCNC(=O)N1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2OC)C1 COc1ccccc1[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@H](C)CC(=O)N[*:1]
COc1cc(OC)cc([C@H]2CC[NH2+][C@H](C(N)=O)C2)c1 NC(=O)[*:1] COc1cc(cc(c1)[C@H]1CC[NH2+][C@H](C1)[*:1])OC
COc1cccc2cc(C(=O)NCC3CCN(c4nc5ccccc5s4)CC3)oc12 c1ccc2sc(nc2c1)[*:1] COc1cccc2cc(oc12)C(=O)NCC1CCN(CC1)[*:1]
O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCC[C@@H](C1)[*:1]
CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O C1CCC(CC1)[*:1] CCn1c(=O)c2c(nc3N(CCCn32)[*:1])n(C)c1=O
CN(C)C(=O)CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1 CN(C)C(=O)[*:1] O=C([O-])Cn1cc(c2ccccc21)[C@H](C(=O)[O-])[NH+]1CCN(CC1)C[*:1]
CN(C)C(=O)CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1 O=C([O-])[*:1] CN(C)C(=O)CN1CC[NH+](CC1)[C@@H](C(=O)[O-])c1cn(C[*:1])c2ccccc12
CN(C)C(=O)CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1 CN(C)C(=O)C[*:1] O=C([O-])Cn1cc(c2ccccc21)[C@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
CN(C)C(=O)CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1 O=C([O-])C[*:1] CN(C)C(=O)CN1CC[NH+](CC1)[C@@H](C(=O)[O-])c1cn(c2ccccc12)[*:1]
C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 O=S(=O)(N[*:1])c1ccccc1 C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccc(cc1)[*:1]
CCCOC(=O)c1ccc(OC)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCCOC(=O)c1ccc(OC)c(c1)[*:1]
CCCOC(=O)c1ccc(OC)c([N+](=O)[O-])c1 CCC[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)O[*:1]
CCN1C(=O)/C(=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)c2ccccc21 c1ccc(cc1)C[*:1] CCN1C(=O)/C(c2ccccc21)=c1/sc2nc(=O)c(nn2c1=O)[*:1]
CCN1C(=O)/C(=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)c2ccccc21 c1ccc(cc1)[*:1] CCN1C(=O)/C(c2ccccc21)=c1/sc2nc(=O)c(C[*:1])nn2c1=O
CCN[C@H](c1cc(F)ccc1F)C(OC)OC COC(OC)[*:1] CCN[C@H](c1cc(F)ccc1F)[*:1]
CCN[C@H](c1cc(F)ccc1F)C(OC)OC CCN[*:1] COC(OC)[C@@H](c1cc(F)ccc1F)[*:1]
CCC(=O)Nc1cccc(C(=O)N(C)c2cc(Cl)ccc2OC)c1 CCC(=O)N[*:1] COc1ccc(Cl)cc1N(C)C(=O)c1cccc(c1)[*:1]
Cc1cc(F)cc(S(=O)(=O)NC(C)(C)c2nccs2)c1 c1csc(n1)[*:1] Cc1cc(F)cc(c1)S(=O)(=O)NC(C)(C)[*:1]
COc1ncccc1CNC(=O)Nc1ccc(-n2cncn2)c(F)c1 COc1ncccc1[*:1] O=C(NC[*:1])Nc1ccc(c(F)c1)-n1cncn1
COc1ncccc1CNC(=O)Nc1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] COc1ncccc1CNC(=O)Nc1ccc(c(F)c1)[*:1]
Cc1ccccc1OC1CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 C1CC1[*:1] Cc1ccccc1OC1CN(C1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1OC1CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 Cc1ccccc1[*:1] O=C([C@@H]1CC(=O)N(C1)C1CC1)N1CC(C1)O[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)CN[C@@H](C)c2ccc(Cl)cc2)C1 CC(=O)N[*:1] C[C@H](NCC(=O)N1CCC[C@H](C1)[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H]1CCCN(C(=O)CN[C@@H](C)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)CN[C@@H](C)[*:1]
C#CCNC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 C#CC[*:1] C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)N[*:1]
CC(=O)c1cccc(SC[C@@H]2Cc3ccccc3S2)c1 CC(=O)[*:1] c1cc(cc(c1)[*:1])SC[C@@H]1Cc2ccccc2S1
C[C@@H](NC(=O)c1ccc(N(C)C)c(F)c1)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@@H](NC(=O)c1ccc(c(F)c1)N(C)C)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1ccc(N(C)C)c(F)c1)c1ccc(NC(N)=O)cc1 CN(C)[*:1] C[C@@H](NC(=O)c1ccc(c(F)c1)[*:1])c1ccc(cc1)NC(N)=O
CC(C)CCC(=O)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 c1ncc(cn1)[*:1] CC(C)CCC(=O)NC[C@@H]1Cc2cccc(c2O1)[*:1]
CC(C)CCC(=O)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 CC(C)C[*:1] O=C(C[*:1])NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1
CC(C)CCC(=O)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 CC(C)[*:1] O=C(CC[*:1])NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1
CC(C)CCC(=O)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 CC(C)CC[*:1] O=C(NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1)[*:1]
CC(C)CCC(=O)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 CC(C)CCC(=O)N[*:1] c1cc2C[C@@H](C[*:1])Oc2c(c1)-c1cncnc1
CN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)Sc2ccccc2NC1=O Clc1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@]1(C)Sc2ccccc2NC1=O
CN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)Sc2ccccc2NC1=O Clc1ccc(cc1)C[*:1] CN(C(=O)[C@]1(C)Sc2ccccc2NC1=O)[*:1]
COC(=O)/C=C/Sc1nncn1C COC(=O)[*:1] Cn1cnnc1SC=C[*:1]
Fc1cccc(Cn2nnc(-c3ccccc3)n2)c1F c1ccc(cc1)[*:1] Fc1cccc(Cn2nnc(n2)[*:1])c1F
Cc1nnc(SC[C@H](O)c2ccccc2F)n1Cc1ccccc1 Fc1ccccc1[*:1] Cc1nnc(SC[C@H](O)[*:1])n1Cc1ccccc1
Cc1nnc(SC[C@H](O)c2ccccc2F)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nnc(SC[C@H](O)c2ccccc2F)n1[*:1]
Cc1nnc(SC[C@H](O)c2ccccc2F)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(SC[C@H](O)c2ccccc2F)n1C[*:1]
COc1ccc(-c2csc(CN3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)n2)cc1 COc1ccc(cc1)[*:1] O=C(N1CCN(CC1)Cc1nc(cs1)[*:1])C1(CCCC1)c1cccs1
COc1ccc(-c2csc(CN3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)n2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)-c1csc(CN2CCN(CC2)C(=O)C2(CCCC2)[*:1])n1
C[C@@H](Cn1ccnc1)[NH2+]Cc1nncn1C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](Cn1ccnc1)[NH2+]Cc1nncn1[*:1]
C[C@@H](Cn1ccnc1)[NH2+]Cc1nncn1C1CCCCC1 c1cn(cn1)[*:1] C[C@@H](C[*:1])[NH2+]Cc1nncn1C1CCCCC1
C[C@@H](Cn1ccnc1)[NH2+]Cc1nncn1C1CCCCC1 c1cn(cn1)C[*:1] C[C@@H]([NH2+]Cc1nncn1C1CCCCC1)[*:1]
C[C@@H](CC1CCCCC1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 C1CCC(CC1)C[*:1] C[C@@H](C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)[*:1]
C[C@@H](CC1CCCCC1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 C1CCC(CC1)[*:1] C[C@@H](C[*:1])C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12
O=C(NC[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NC[C@H]1CCCOC1)c1ccc(cc1)[*:1]
O=C(NC[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 C1COC[C@H](C1)[*:1] O=C(NC[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)c1ccco1 O=C(N[*:1])c1ccco1 O=S(=O)(NCc1ccc(cc1)[*:1])c1cccc(Cl)c1
O=C(Nc1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)c1ccco1 Clc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)CNS(=O)(=O)[*:1])c1ccco1
O=C(Nc1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)CNS(=O)(=O)c1cccc(Cl)c1)[*:1]
COC(=O)c1ccc(Cn2ncc(N3CCc4ccccc4C3)cc2=O)o1 COC(=O)[*:1] O=c1cc(cnn1Cc1ccc(o1)[*:1])N1CCc2ccccc2C1
COC(=O)c1ccc(Cn2ncc(N3CCc4ccccc4C3)cc2=O)o1 COC(=O)c1ccc(o1)[*:1] O=c1cc(cnn1C[*:1])N1CCc2ccccc2C1
COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 COc1ccc(OC)c(c1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@@H]1[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 Cc1noc(C)c1[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CN1CCN(S(=O)(=O)c2ccc(F)cc2F)[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN([C@H](C1)[*:1])S(=O)(=O)c1ccc(F)cc1F
CN1CCN(S(=O)(=O)c2ccc(F)cc2F)[C@H](c2ccccc2)C1 Fc1ccc(c(F)c1)[*:1] CN1CCN([C@@H](C1)c1ccccc1)S(=O)(=O)[*:1]
CC(C)[NH2+]Cc1ccc(S[C@H](C)CCO)c(F)c1 OCC[*:1] CC(C)[NH2+]Cc1ccc(S[C@H](C)[*:1])c(F)c1
CC(C)[NH2+]Cc1ccc(S[C@H](C)CCO)c(F)c1 C[C@H](CCO)[*:1] CC(C)[NH2+]Cc1ccc(S[*:1])c(F)c1
CC(C)[NH2+]Cc1ccc(S[C@H](C)CCO)c(F)c1 CC(C)[NH2+]C[*:1] C[C@H](CCO)Sc1ccc(cc1F)[*:1]
CC(C)[NH2+]Cc1ccc(S[C@H](C)CCO)c(F)c1 CC(C)[*:1] C[C@H](CCO)Sc1ccc(cc1F)C[NH2+][*:1]
CC(C)[NH2+]Cc1ccc(S[C@H](C)CCO)c(F)c1 C[C@H](CCO)S[*:1] CC(C)[NH2+]Cc1ccc(c(F)c1)[*:1]
CCCN1CCO[C@H]([C@H](O)C[C@@H](C)CC)C1 CCC[*:1] CC[C@H](C)C[C@@H](O)[C@@H]1CN(CCO1)[*:1]
CCCN1CCO[C@H]([C@H](O)C[C@@H](C)CC)C1 CC[C@H](C)C[*:1] CCCN1CCO[C@@H](C1)[C@H](O)[*:1]
CCCN1CCO[C@H]([C@H](O)C[C@@H](C)CC)C1 CC[C@H](C)[*:1] CCCN1CCO[C@@H](C1)[C@H](O)C[*:1]
CN(C)C(=O)CCNC(=O)N(C)Cc1cccc(Cl)c1 CN(C)C(=O)[*:1] CN(Cc1cccc(Cl)c1)C(=O)NCC[*:1]
CN(C)C(=O)CCNC(=O)N(C)Cc1cccc(Cl)c1 CN(C)C(=O)C[*:1] CN(Cc1cccc(Cl)c1)C(=O)NC[*:1]
CCc1c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)N1CCN(CC1)Cc1cc(=O)n2ccsc2n1
CCc1c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cnn1-c1ccc(F)cc1 O=c1cc(C[*:1])nc2sccn12 CCc1c(cnn1-c1ccc(F)cc1)C(=O)N1CCN(CC1)[*:1]
CCc1c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cnn1-c1ccc(F)cc1 O=c1cc(nc2sccn12)[*:1] CCc1c(cnn1-c1ccc(F)cc1)C(=O)N1CCN(CC1)C[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c1 Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(F)c(F)c1
Cc1cc2c(N3CCC(N(C)c4ccccc4)CC3)ncnc2s1 CN(c1ccccc1)[*:1] Cc1cc2c(ncnc2s1)N1CCC(CC1)[*:1]
Cc1cc2c(N3CCC(N(C)c4ccccc4)CC3)ncnc2s1 c1ccc(cc1)[*:1] Cc1cc2c(ncnc2s1)N1CCC(CC1)N(C)[*:1]
Cn1c(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)nc2ccccc21 CS(=O)(=O)[*:1] Cn1c(C[NH2+][C@@H]2CCC[C@@H](C2)[*:1])nc2ccccc21
CN1C(=O)C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1=O O=[N+]([O-])[*:1] CN1C(=O)C[C@@H](Nc2nc3cc(ccc3[nH]2)[*:1])C1=O
CSc1cccc(NC(=O)Cn2nc3ccc(Sc4ccc(C)cc4)nn3c2=O)c1 CSc1cccc(c1)[*:1] Cc1ccc(cc1)Sc1ccc2nn(CC(=O)N[*:1])c(=O)n2n1
CSc1cccc(NC(=O)Cn2nc3ccc(Sc4ccc(C)cc4)nn3c2=O)c1 Cc1ccc(cc1)S[*:1] CSc1cccc(c1)NC(=O)Cn1nc2ccc(nn2c1=O)[*:1]
CSc1cccc(NC(=O)Cn2nc3ccc(Sc4ccc(C)cc4)nn3c2=O)c1 Cc1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)Cn1nc2ccc(nn2c1=O)S[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@H](CCO)C1 OCC[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@H](C1)[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCC[C@H](CCO)C1 c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCCC1)[*:1])N1CCC[C@H](CCO)C1
NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1ccccn1 c1ccc(nc1)S[*:1] NC(=O)[C@]1(CCC[C@@H]1CC[*:1])[NH2+]C1CC1
NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1ccccn1 c1ccc(nc1)[*:1] NC(=O)[C@]1(CCC[C@@H]1CCS[*:1])[NH2+]C1CC1
NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1ccccn1 C1CC1[*:1] NC(=O)[C@]1(CCC[C@@H]1CCSc1ccccn1)[NH2+][*:1]
NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1ccccn1 NC(=O)[*:1] c1ccc(nc1)SCC[C@H]1CCC[C@@]1([NH2+]C1CC1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@H]2NN=NN2c2ccccc2)c1C c1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@H]2NN=NN2[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@H]2NN=NN2c2ccccc2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@H](C)S[C@H]2NN=NN2c2ccccc2)c(C)c1[*:1]
CC(C)Oc1ccccc1NC(=O)Cc1cccc(F)c1F CC(C)[*:1] O=C(Cc1cccc(F)c1F)Nc1ccccc1O[*:1]
CC(C)Oc1ccccc1NC(=O)Cc1cccc(F)c1F CC(C)O[*:1] O=C(Cc1cccc(F)c1F)Nc1ccccc1[*:1]
COc1ccc(NC(=O)[C@H](CC(=O)[O-])Cc2ccccc2)cc1 O=C([O-])[*:1] COc1ccc(cc1)NC(=O)[C@@H](Cc1ccccc1)C[*:1]
COc1ccc(NC(=O)[C@H](CC(=O)[O-])Cc2ccccc2)cc1 O=C([O-])C[*:1] COc1ccc(cc1)NC(=O)[C@H](Cc1ccccc1)[*:1]
COc1ccc(NC(=O)[C@H](CC(=O)[O-])Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)NC(=O)[C@H](CC(=O)[O-])[*:1]
COc1ccc(NC(=O)[C@H](CC(=O)[O-])Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@H](CC(=O)[O-])C[*:1]
CC[C@@H](C(=O)Oc1ccc(OC(F)(F)F)cc1)c1c(C)noc1C FC(F)(F)O[*:1] CC[C@@H](C(=O)Oc1ccc(cc1)[*:1])c1c(C)noc1C
CC[C@@H](C(=O)Oc1ccc(OC(F)(F)F)cc1)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H](C(=O)Oc1ccc(cc1)OC(F)(F)F)[*:1]
CC[C@@H](C(=O)Oc1ccc(OC(F)(F)F)cc1)c1c(C)noc1C FC(F)(F)[*:1] CC[C@@H](C(=O)Oc1ccc(cc1)O[*:1])c1c(C)noc1C
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccc(cc1)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(c1ccc(Cl)cc1Cl)N1CCOC12CCN(c1ncccn1)CC2 c1cnc(nc1)[*:1] O=C(c1ccc(Cl)cc1Cl)N1CCOC12CCN(CC2)[*:1]
O=C(c1ccc(Cl)cc1Cl)N1CCOC12CCN(c1ncccn1)CC2 Clc1ccc(c(Cl)c1)[*:1] O=C(N1CCOC12CCN(CC2)c1ncccn1)[*:1]
CCCCNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 CCCC[*:1] Cc1ccc(cc1Cl)-n1ncc2c(ncnc21)N[*:1]
CCCCNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 CCC[*:1] Cc1ccc(cc1Cl)-n1ncc2c(ncnc21)NC[*:1]
CCCCNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 CCCCN[*:1] Cc1ccc(cc1Cl)-n1ncc2c(ncnc21)[*:1]
O=C(N[C@H]1CCc2ccccc21)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] O=C(N[C@H]1CCc2ccccc21)c1ccc(cc1[N+](=O)[O-])[*:1]
O=C(N[C@H]1CCc2ccccc21)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(N[C@H]1CCc2ccccc21)c1ccc(cc1[*:1])C(F)(F)F
C[C@@H](O)c1ccccc1Sc1cccc(F)c1 C[C@@H](O)[*:1] Fc1cccc(c1)Sc1ccccc1[*:1]
C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2O)[C@H](C)CO1 c1ccc(cc1)C[*:1] C[C@@H]1CN(C(=O)c2cc(ccc2O)[*:1])[C@H](C)CO1
C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2O)[C@H](C)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)c2cc(ccc2O)C[*:1])[C@H](C)CO1
C=C(C)CN1CCN(C(=O)c2c(C)oc3ccc(O)cc23)CC1 C=C(C)[*:1] Cc1oc2ccc(O)cc2c1C(=O)N1CCN(CC1)C[*:1]
C=C(C)CN1CCN(C(=O)c2c(C)oc3ccc(O)cc23)CC1 C=C(C)C[*:1] Cc1oc2ccc(O)cc2c1C(=O)N1CCN(CC1)[*:1]
O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] O=C(Cn1cnc2ccc(Cl)cc2c1=O)N[*:1]
CC(C)CNC(=O)CNC(=O)c1ccc(F)cc1 CC(C)[*:1] O=C(CNC(=O)c1ccc(F)cc1)NC[*:1]
CC(C)CNC(=O)CNC(=O)c1ccc(F)cc1 CC(C)C[*:1] O=C(CNC(=O)c1ccc(F)cc1)N[*:1]
Cn1nc2n(c1=O)CCN(CCOC1CCCCCC1)C2 C1CCCC(CC1)[*:1] Cn1nc2CN(CCO[*:1])CCn2c1=O
Cn1c(C[NH+]2CCN(c3ccccn3)CC2)nc2ccccc21 c1ccc(nc1)[*:1] Cn1c(C[NH+]2CCN(CC2)[*:1])nc2ccccc21
COCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c(N2CCOCC2)n1 C1CN(CCO1)[*:1] COCc1cc(=O)n(CC(=O)Nc2ccc3CCCc3c2)c(n1)[*:1]
COCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c(N2CCOCC2)n1 COC[*:1] O=C(Cn1c(nc(cc1=O)[*:1])N1CCOCC1)Nc1ccc2CCCc2c1
COCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c(N2CCOCC2)n1 c1cc2CCCc2cc1[*:1] COCc1cc(=O)n(CC(=O)N[*:1])c(n1)N1CCOCC1
Cc1nc(C(=O)N2CCCC[C@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)cs1 Cc1nnc(s1)[*:1] Cc1nc(cs1)C(=O)N1CCCC[C@H]1C(=O)Nc1cccc(c1)[*:1]
Cc1nc(C(=O)N2CCCC[C@H]2C(=O)Nc2cccc(-c3nnc(C)s3)c2)cs1 Cc1nc(cs1)[*:1] Cc1nnc(s1)-c1cccc(c1)NC(=O)[C@@H]1CCCCN1C(=O)[*:1]
CCc1csc([C@@H]2CCCN(Cc3c[nH]nc3-c3cccnc3)C2)n1 c1cncc(c1)[*:1] CCc1csc(n1)[C@@H]1CCCN(Cc2c[nH]nc2[*:1])C1
CCc1csc([C@@H]2CCCN(Cc3c[nH]nc3-c3cccnc3)C2)n1 CCc1csc(n1)[*:1] c1cncc(c1)-c1n[nH]cc1CN1CCC[C@H](C1)[*:1]
CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](C)C2 c1coc(c1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2C[C@@H](C)CCc21
CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](C)C2 CCOC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1ccco1)c2[*:1]
COc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N O=[N+]([O-])[*:1] COc1ccccc1-c1nnc(SCc2ccc(cc2)[*:1])n1N
COc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N COc1ccccc1[*:1] Nn1c(nnc1[*:1])SCc1ccc(cc1)[N+](=O)[O-]
CCCC[C@H](Br)C(=O)Nc1nc2ccc(N(C)C)cc2s1 CCCC[C@H](Br)[*:1] CN(C)c1ccc2nc(NC(=O)[*:1])sc2c1
CCCC[C@H](Br)C(=O)Nc1nc2ccc(N(C)C)cc2s1 CCC[*:1] CN(C)c1ccc2nc(NC(=O)[C@@H](Br)C[*:1])sc2c1
CCCC[C@H](Br)C(=O)Nc1nc2ccc(N(C)C)cc2s1 CCCC[*:1] CN(C)c1ccc2nc(NC(=O)[C@@H](Br)[*:1])sc2c1
CCCC[C@H](Br)C(=O)Nc1nc2ccc(N(C)C)cc2s1 CN(C)[*:1] CCCC[C@H](Br)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CN(C(=O)c1ccncc1Cl)[C@H]1CCN(c2ccccc2)C1=O Clc1cnccc1[*:1] CN(C(=O)[*:1])[C@H]1CCN(C1=O)c1ccccc1
CN(C(=O)c1ccncc1Cl)[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(C(=O)c1ccncc1Cl)[C@H]1CCN(C1=O)[*:1]
COc1cccc([C@]2(CC#N)CCOC(C)(C)C2)c1 N#CC[*:1] COc1cccc(c1)[C@@]1(CCOC(C)(C)C1)[*:1]
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](c3ccccc3)C2)C1 CC(C)C[*:1] O=C(N[*:1])N1CCC[C@H](C1)C(=O)N1CC[C@@H](C1)c1ccccc1
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](c3ccccc3)C2)C1 CC(C)[*:1] O=C(NC[*:1])N1CCC[C@H](C1)C(=O)N1CC[C@@H](C1)c1ccccc1
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](c3ccccc3)C2)C1 c1ccc(cc1)[*:1] CC(C)CNC(=O)N1CCC[C@H](C1)C(=O)N1CC[C@H](C1)[*:1]
CCOc1ccc2[nH]c(-c3cc(N)cc(C)c3C)nc2n1 CCO[*:1] Cc1cc(N)cc(-c2nc3nc(ccc3[nH]2)[*:1])c1C
CC(C)c1cc(C(=O)NCCCN2CC[NH+](C)CC2)on1 CC(C)[*:1] C[NH+]1CCN(CCCNC(=O)c2cc(no2)[*:1])CC1
C[NH+](CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](CC(=O)N1CCN(CC1)c1cc(C#N)ccn1)[*:1]
C[NH+](CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](CC(=O)N1CCN(CC1)c1cc(C#N)ccn1)C[*:1]
C[NH+](CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)Cc1ccccc1 N#Cc1ccnc(c1)[*:1] C[NH+](CC(=O)N1CCN(CC1)[*:1])Cc1ccccc1
C[C@@H](NC(=O)c1cccs1)C(=O)N1CCOCC1(C)C c1csc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCOCC1(C)C
CC1CC[NH+](Cc2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] CC1CC[NH+](CC1)Cc1cccc(c1)CNC(=O)N[*:1]
CC1CC[NH+](Cc2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1 O=[N+]([O-])[*:1] CC1CC[NH+](CC1)Cc1cccc(c1)CNC(=O)Nc1cccc(c1)[*:1]
Cc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)on1 Cc1cc(C[*:1])on1 CN(C(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1)[*:1]
Cc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)on1 Clc1ccc(cc1)CC[*:1] Cc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(C2)[*:1])on1
Cc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)on1 Clc1ccc(cc1)C[*:1] Cc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(C2)C[*:1])on1
Cc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)on1 Clc1ccc(cc1)[*:1] Cc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(CC[*:1])C2)on1
Cc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)on1 Cc1cc(on1)[*:1] CN(C[*:1])C(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1
CC(=O)Nc1cc(C(=O)NCc2ccccc2F)nn1-c1ccccc1 Fc1ccccc1[*:1] CC(=O)Nc1cc(nn1-c1ccccc1)C(=O)NC[*:1]
CC(=O)Nc1cc(C(=O)NCc2ccccc2F)nn1-c1ccccc1 CC(=O)N[*:1] O=C(NCc1ccccc1F)c1cc(n(n1)-c1ccccc1)[*:1]
CC(=O)Nc1cc(C(=O)NCc2ccccc2F)nn1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)Nc1cc(nn1[*:1])C(=O)NCc1ccccc1F
CC(=O)Nc1cc(C(=O)NCc2ccccc2F)nn1-c1ccccc1 Fc1ccccc1C[*:1] CC(=O)Nc1cc(nn1-c1ccccc1)C(=O)N[*:1]
COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccc(Cl)cc1
COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCN(C(=O)/C=C/c1ccc(F)cc1)[C@H](C)Cc1ccc(OC)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)C=C[*:1])[C@H](C)Cc1ccc(cc1)OC
CCN(C(=O)/C=C/c1ccc(F)cc1)[C@H](C)Cc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(C(=O)/C=C/c1ccc(F)cc1)[C@H](C)C[*:1]
Cc1cccc(NC2CCN(C(=O)NCCCc3cccc(F)c3)CC2)[nH+]1 Fc1cccc(c1)[*:1] Cc1cccc(NC2CCN(CC2)C(=O)NCCC[*:1])[nH+]1
Cc1cccc(NC2CCN(C(=O)NCCCc3cccc(F)c3)CC2)[nH+]1 Fc1cccc(c1)CC[*:1] Cc1cccc(NC2CCN(CC2)C(=O)NC[*:1])[nH+]1
Cc1cccc(NC2CCN(C(=O)NCCCc3cccc(F)c3)CC2)[nH+]1 Fc1cccc(c1)C[*:1] Cc1cccc(NC2CCN(CC2)C(=O)NCC[*:1])[nH+]1
COC(=O)c1nn(CN(C)Cc2ccc(C)s2)c(=O)c2noc(C)c12 COC(=O)[*:1] Cc1ccc(CN(C)Cn2nc(c3c(C)onc3c2=O)[*:1])s1
COC(=O)c1nn(CN(C)Cc2ccc(C)s2)c(=O)c2noc(C)c12 Cc1ccc(C[*:1])s1 COC(=O)c1nn(CN(C)[*:1])c(=O)c2noc(C)c12
COC(=O)c1nn(CN(C)Cc2ccc(C)s2)c(=O)c2noc(C)c12 Cc1ccc(s1)[*:1] COC(=O)c1nn(CN(C)C[*:1])c(=O)c2noc(C)c12
CC(C)([NH3+])Cc1nnc2ccncn12 CC(C)([NH3+])[*:1] c1cc2nnc(C[*:1])n2cn1
COCc1cc(N2CCC(c3[nH]ncc3-c3ccccc3C)CC2)ncn1 Cc1ccccc1[*:1] COCc1cc(ncn1)N1CCC(CC1)c1[nH]ncc1[*:1]
COCc1cc(N2CCC(c3[nH]ncc3-c3ccccc3C)CC2)ncn1 COCc1cc(ncn1)[*:1] Cc1ccccc1-c1cn[nH]c1C1CCN(CC1)[*:1]
COCc1cc(N2CCC(c3[nH]ncc3-c3ccccc3C)CC2)ncn1 COC[*:1] Cc1ccccc1-c1cn[nH]c1C1CCN(CC1)c1cc(ncn1)[*:1]
C[NH2+]C[C@H](C)C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] C[NH2+]C[C@H](C)C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CC(C)(NCc1cccs1)c1ccc(F)cc1Cl c1csc(c1)[*:1] CC(C)(NC[*:1])c1ccc(F)cc1Cl
CC(C)(NCc1cccs1)c1ccc(F)cc1Cl c1csc(c1)C[*:1] CC(C)(N[*:1])c1ccc(F)cc1Cl
Cc1cccn2cc(CC(=O)Nc3ccccc3S(C)(=O)=O)[nH+]c12 CS(=O)(=O)[*:1] Cc1cccn2cc(CC(=O)Nc3ccccc3[*:1])[nH+]c12
Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C)[C@@H]1CCCc2ccccc21 O=[N+]([O-])[*:1] Cc1ccc(cc1C(=O)OCC(=O)N(C)[C@@H]1CCCc2ccccc21)[*:1]
C[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)CCO1 c1ccc(cc1)[*:1] C[C@H]1CN(CCO1)[C@@H](C)C(=O)Nc1ccccc1[*:1]
Cc1nn(C)c(=O)c(C(=O)N2CCCC[C@H]2C(=O)[O-])c1C O=C([O-])[*:1] Cc1nn(C)c(=O)c(C(=O)N2CCCC[C@@H]2[*:1])c1C
Cn1cc(C(c2ccccc2OCC(=O)[O-])c2cn(C)c3ccccc23)c2ccccc21 O=C([O-])C[*:1] Cn1cc(c2ccccc21)C(c1ccccc1O[*:1])c1cn(C)c2ccccc12
Cn1cc(C(c2ccccc2OCC(=O)[O-])c2cn(C)c3ccccc23)c2ccccc21 Cn1cc(c2ccccc21)[*:1] Cn1cc(c2ccccc21)C(c1ccccc1OCC(=O)[O-])[*:1]
Cn1cc(C(c2ccccc2OCC(=O)[O-])c2cn(C)c3ccccc23)c2ccccc21 O=C([O-])[*:1] Cn1cc(c2ccccc21)C(c1ccccc1OC[*:1])c1cn(C)c2ccccc12
Cn1cc(C(c2ccccc2OCC(=O)[O-])c2cn(C)c3ccccc23)c2ccccc21 O=C([O-])CO[*:1] Cn1cc(c2ccccc21)C(c1ccccc1[*:1])c1cn(C)c2ccccc12
Cc1cc(NC(=O)C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)no1 CC(C)CO[*:1] Cc1cc(no1)NC(=O)C(=O)NCc1cnc(c(Cl)c1)[*:1]
Cc1cc(NC(=O)C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)no1 CC(C)[*:1] Cc1cc(no1)NC(=O)C(=O)NCc1cnc(OC[*:1])c(Cl)c1
Cc1cc(NC(=O)C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)no1 Cc1cc(no1)[*:1] CC(C)COc1ncc(cc1Cl)CNC(=O)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)no1 CC(C)C[*:1] Cc1cc(no1)NC(=O)C(=O)NCc1cnc(O[*:1])c(Cl)c1
CCOC(=O)[C@H](C)NC(=O)C(C)(C)CC(C)C CC(C)[*:1] CCOC(=O)[C@H](C)NC(=O)C(C)(C)C[*:1]
CCOC(=O)[C@H](C)NC(=O)C(C)(C)CC(C)C CCOC(=O)[*:1] CC(C)CC(C)(C)C(=O)N[C@@H](C)[*:1]
CCOC(=O)[C@H](C)NC(=O)C(C)(C)CC(C)C CC(C)C[*:1] CCOC(=O)[C@H](C)NC(=O)C(C)(C)[*:1]
Cc1noc(-c2ccnc(NCCNC(=O)c3ccccc3)c2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)-c1ccnc(c1)NCCNC(=O)[*:1]
Cc1noc(-c2ccnc(NCCNC(=O)c3ccccc3)c2)n1 Cc1noc(n1)[*:1] O=C(NCCNc1cc(ccn1)[*:1])c1ccccc1
O=C(OC1CCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C1CC(C1)[*:1] O=C(O[*:1])C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
O=C(OC1CCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 O=C(OC1CCC1)[*:1] O=S(=O)(/C=C/c1ccccc1)N1CCC(CC1)[*:1]
O=C(OC1CCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(OC1CCC1)C1CCN(CC1)S(=O)(=O)C=C[*:1]
O=C(OC1CCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(OC1CCC1)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(NC2=NCC(=O)N2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC1=NCC(=O)N1[*:1]
Cc1c(C(=O)NC[C@H](C)N2CCc3ccccc32)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@H](C)N1CCc2ccccc21
CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OC[C@H]1CC1(Cl)Cl c1ccc(cc1)C[*:1] CN(C(=O)c1ccccc1C(=O)OC[C@H]1CC1(Cl)Cl)[*:1]
CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OC[C@H]1CC1(Cl)Cl c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccccc1C(=O)OC[C@H]1CC1(Cl)Cl
C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nnc2n1CCC2 FC(F)(F)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1nnc2CCCn21
COC(=O)c1cccc(OC(=O)/C=C/c2ccccc2)c1 COC(=O)[*:1] O=C(/C=C/c1ccccc1)Oc1cccc(c1)[*:1]
COC(=O)c1cccc(OC(=O)/C=C/c2ccccc2)c1 c1ccc(cc1)[*:1] COC(=O)c1cccc(c1)OC(=O)C=C[*:1]
C[NH+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc2c(cc1Br)OCCO2 C1CC1[*:1] C[NH+](Cc1ccc(cc1)C(=O)N[*:1])Cc1cc2OCCOc2cc1Br
C[NH+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc2c(cc1Br)OCCO2 O=C(NC1CC1)[*:1] C[NH+](Cc1ccc(cc1)[*:1])Cc1cc2OCCOc2cc1Br
CC(C)(C)N1C[C@H](NC(=O)NCCc2cccc(F)c2)CC1=O Fc1cccc(c1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)NC(=O)NCC[*:1]
CC(C)(C)N1C[C@H](NC(=O)NCCc2cccc(F)c2)CC1=O CC(C)(C)[*:1] O=C(NCCc1cccc(F)c1)N[C@@H]1CC(=O)N(C1)[*:1]
C[S@](=O)c1ccc(CNC(=O)Nc2cnc(-c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)Nc1cnc(s1)[*:1]
CNC(=O)c1cccc(NCC(=O)N2[C@@H](C)CCC[C@H]2C)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NCC(=O)N1[C@@H](C)CCC[C@H]1C
O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)N1C[C@@H]2CCCC[C@H]2C1 FC(F)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)[*:1])N1C[C@@H]2CCCC[C@H]2C1
O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)N1C[C@@H]2CCCC[C@H]2C1 O=S(=O)(C(F)F)[*:1] O=C(Nc1cccc(c1)[*:1])N1C[C@@H]2CCCC[C@H]2C1
Cc1ccc(NC(=O)Cn2cnnn2)c(OCc2ccccc2)c1 c1nnnn1[*:1] Cc1ccc(NC(=O)C[*:1])c(c1)OCc1ccccc1
Cc1ccc(NC(=O)Cn2cnnn2)c(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)Cn2cnnn2)c(c1)O[*:1]
Cc1ccc(NC(=O)Cn2cnnn2)c(OCc2ccccc2)c1 c1nnnn1C[*:1] Cc1ccc(NC(=O)[*:1])c(c1)OCc1ccccc1
Cc1ccc(NC(=O)Cn2cnnn2)c(OCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)Cn2cnnn2)c(c1)OC[*:1]
Cc1ccc(NC(=O)Cn2cnnn2)c(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] Cc1ccc(NC(=O)Cn2cnnn2)c(c1)[*:1]
COC(C)(C)C[C@@H](C)Nc1ccc(Cl)c(C#N)n1 COC(C)(C)C[*:1] C[C@@H](Nc1ccc(Cl)c(C#N)n1)[*:1]
COC(C)(C)C[C@@H](C)Nc1ccc(Cl)c(C#N)n1 COC(C)(C)[*:1] C[C@H](C[*:1])Nc1ccc(Cl)c(C#N)n1
CCOC(=O)C1CCN(C(=O)Cn2nc3c4ccccc4nc(C(C)C)n3c2=O)CC1 CCOC(=O)[*:1] CC(C)c1nc2ccccc2c2nn(CC(=O)N3CCC(CC3)[*:1])c(=O)n12
CCOC(=O)C1CCN(C(=O)Cn2nc3c4ccccc4nc(C(C)C)n3c2=O)CC1 CC(C)[*:1] CCOC(=O)C1CCN(CC1)C(=O)Cn1nc2c3ccccc3nc(n2c1=O)[*:1]
Cc1cc(C)c(C(=O)C[n+]2ccn(C)c2C(=O)c2cccs2)cc1C O=C(c1cccs1)[*:1] Cc1cc(C)c(cc1C)C(=O)C[n+]1ccn(C)c1[*:1]
Cc1cc(C)c(C(=O)C[n+]2ccn(C)c2C(=O)c2cccs2)cc1C c1csc(c1)[*:1] Cc1cc(C)c(cc1C)C(=O)C[n+]1ccn(C)c1C(=O)[*:1]
O=C(c1cccc(-n2cccn2)n1)N1CCC(COc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccc(n1)-n1cccn1)N1CCC(CC1)CO[*:1]
O=C(c1cccc(-n2cccn2)n1)N1CCC(COc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(c1cccc(n1)-n1cccn1)N1CCC(CC1)C[*:1]
O=C(c1cccc(-n2cccn2)n1)N1CCC(COc2ccccc2)CC1 c1cnn(c1)[*:1] O=C(c1cccc(n1)[*:1])N1CCC(CC1)COc1ccccc1
O=C(c1cccc(-n2cccn2)n1)N1CCC(COc2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=C(c1cccc(n1)-n1cccn1)N1CCC(CC1)[*:1]
C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[NH+](CC1)C[*:1]
C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[NH+](CC1)CC[*:1]
C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[NH+](CCc2ccccc2)CC1 Fc1ccc(c(F)c1)[*:1] C[C@H](C(=O)N[*:1])N1CC[NH+](CCc2ccccc2)CC1
C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[NH+](CC1)[*:1]
Cc1cccc(CN(Cc2cccc(C)n2)c2cc(Cl)nc(C)n2)n1 Cc1cccc(C[*:1])n1 Cc1cccc(CN(c2cc(Cl)nc(C)n2)[*:1])n1
Cc1cccc(CN(Cc2cccc(C)n2)c2cc(Cl)nc(C)n2)n1 Cc1nc(Cl)cc(n1)[*:1] Cc1cccc(CN(Cc2cccc(C)n2)[*:1])n1
Cc1cccc(CN(Cc2cccc(C)n2)c2cc(Cl)nc(C)n2)n1 Cc1cccc(n1)[*:1] Cc1cccc(CN(C[*:1])c2cc(Cl)nc(C)n2)n1
Cc1ccccc1CC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 Cc1ccccc1[*:1] O[C@H](C[NH2+]CC[*:1])c1ccc(F)c(F)c1
Cc1nc(C)c(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1nc(C)c(CC(=O)Nc2c(C)nn(c2C)[*:1])c(=O)[nH]1
CC(C)C[C@@H](O)[C@@H]1CCCc2cccnc21 CC(C)[*:1] O[C@H](C[*:1])[C@@H]1CCCc2cccnc21
CC(C)C[C@@H](O)[C@@H]1CCCc2cccnc21 CC(C)C[*:1] O[C@@H]([C@@H]1CCCc2cccnc21)[*:1]
Nc1nnc(/N=C/c2cccc([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] Nc1nnc(/N=C/c2cccc(c2)[*:1])s1
CC[S@](=O)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 C1CC1[*:1] CC[S@](=O)CC(=O)N(Cc1ccccc1)[C@H](C)[*:1]
CC[S@](=O)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 C[C@H](C1CC1)[*:1] CC[S@](=O)CC(=O)N(Cc1ccccc1)[*:1]
CC[S@](=O)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 c1ccc(cc1)[*:1] CC[S@](=O)CC(=O)N(C[*:1])[C@H](C)C1CC1
CCCO[C@@H]1CCCC[C@H]1C[NH3+] CCCO[*:1] [NH3+]C[C@@H]1CCCC[C@H]1[*:1]
CCCO[C@@H]1CCCC[C@H]1C[NH3+] CCC[*:1] [NH3+]C[C@@H]1CCCC[C@H]1O[*:1]
Cc1ccc(C(=O)N2CCC[C@H](c3nccnc3Oc3cccnc3C)C2)cn1 Cc1ncccc1[*:1] Cc1ccc(cn1)C(=O)N1CCC[C@@H](C1)c1nccnc1O[*:1]
Cc1ccc(C(=O)N2CCC[C@H](c3nccnc3Oc3cccnc3C)C2)cn1 Cc1ncccc1O[*:1] Cc1ccc(cn1)C(=O)N1CCC[C@@H](C1)c1nccnc1[*:1]
Cc1ccc(C(=O)N2CCC[C@H](c3nccnc3Oc3cccnc3C)C2)cn1 Cc1ccc(cn1)[*:1] Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C1)C(=O)[*:1]
O=C(Cc1ccc[nH]1)Nc1ccccn1 c1c[nH]c(c1)[*:1] O=C(C[*:1])Nc1ccccn1
O=C(NC[C@@H]1COCCO1)[C@@H]1C[C@@H]1c1cccc(F)c1 C1CO[C@@H](CO1)[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1cccc(F)c1
Oc1cccc([C@H]2c3[nH+]c[nH]c3CCN2Cc2ccnn2-c2ccccc2)c1 Oc1cccc(c1)[*:1] c1ccc(cc1)-n1nccc1CN1CCc2[nH]c[nH+]c2[C@@H]1[*:1]
Oc1cccc([C@H]2c3[nH+]c[nH]c3CCN2Cc2ccnn2-c2ccccc2)c1 c1ccc(cc1)[*:1] Oc1cccc(c1)[C@H]1c2[nH+]c[nH]c2CCN1Cc1ccnn1[*:1]
C[C@H](C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1Cl Clc1cccc(c1)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)c1ccccc1Cl
C[C@H](C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](C(=O)Nc1cccc(Cl)c1)S(=O)(=O)[*:1]
CC(C)(C)c1ccccc1NC(=O)Cn1ccc(=O)c2sccc21 CC(C)(C)[*:1] O=C(Cn1ccc(=O)c2sccc21)Nc1ccccc1[*:1]
O=C(Cc1ccc(F)cc1F)NC1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(Cc1ccc(F)cc1F)NC1CCN(CC1)[*:1]
O=C(Cc1ccc(F)cc1F)NC1CCN(c2cccc(F)c2)CC1 Fc1ccc(c(F)c1)[*:1] O=C(C[*:1])NC1CCN(CC1)c1cccc(F)c1
C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCN(C1)[*:1]
C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCN(C1)C[*:1]
COc1cccc(NC2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
COc1cccc(NC2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c1 COc1cccc(c1)[*:1] O=C([C@H]1C[C@H]1c1ccccc1)N1CCC(CC1)N[*:1]
CC1(C)C(=O)N(C[C@@H]2CO2)C(=O)N1C[C@H]1CO1 C1O[C@@H]1[*:1] CC1(C)C(=O)N(C[*:1])C(=O)N1C[C@H]1CO1
CC1(C)C(=O)N(C[C@@H]2CO2)C(=O)N1C[C@H]1CO1 C1O[C@H]1[*:1] CC1(C)C(=O)N(C[C@@H]2CO2)C(=O)N1C[*:1]
CC1(C)C(=O)N(C[C@@H]2CO2)C(=O)N1C[C@H]1CO1 C1O[C@H]1C[*:1] CC1(C)C(=O)N(C[C@@H]2CO2)C(=O)N1[*:1]
CC1(C)C(=O)N(C[C@@H]2CO2)C(=O)N1C[C@H]1CO1 C1O[C@@H]1C[*:1] CC1(C)C(=O)N(C(=O)N1C[C@H]1CO1)[*:1]
Cc1c(C(=O)NNS(=O)(=O)c2ccccc2F)oc2ccccc12 Fc1ccccc1[*:1] Cc1c(oc2ccccc12)C(=O)NNS(=O)(=O)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)c1ccncc1)c1nc3cc(Cl)c(Cl)cc3nc12 c1cc(ccn1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)[*:1])c1nc3cc(Cl)c(Cl)cc3nc12
CC(C)c1cc(C(=O)NCC#Cc2ccccc2)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)c1cc(C(=O)NCC#Cc2ccccc2)c2cnn(c2n1)[*:1]
CC(C)c1cc(C(=O)NCC#Cc2ccccc2)c2cnn(C(C)C)c2n1 C(#Cc1ccccc1)C[*:1] CC(C)c1cc(C(=O)N[*:1])c2cnn(c2n1)C(C)C
CC(C)c1cc(C(=O)NCC#Cc2ccccc2)c2cnn(C(C)C)c2n1 c1ccc(cc1)[*:1] CC(C)c1cc(C(=O)NCC#C[*:1])c2cnn(c2n1)C(C)C
CC(C)c1cc(C(=O)NCC#Cc2ccccc2)c2cnn(C(C)C)c2n1 C(#C[*:1])c1ccccc1 CC(C)c1cc(C(=O)NC[*:1])c2cnn(c2n1)C(C)C
CC(C)c1cc(C(=O)NCC#Cc2ccccc2)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)NCC#Cc1ccccc1
CC[C@@H]1CC[C@H]([NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)C1 FC(F)(F)[*:1] CC[C@@H]1CC[C@@H](C1)[NH+]1CCN(CC1)c1nccc(n1)[*:1]
NC(=O)[C@@H]1CN(Cc2ccc(OCC(F)F)cc2)CCO1 FC(F)CO[*:1] NC(=O)[C@@H]1CN(CCO1)Cc1ccc(cc1)[*:1]
NC(=O)[C@@H]1CN(Cc2ccc(OCC(F)F)cc2)CCO1 FC(F)C[*:1] NC(=O)[C@@H]1CN(CCO1)Cc1ccc(cc1)O[*:1]
NC(=O)[C@@H]1CN(Cc2ccc(OCC(F)F)cc2)CCO1 FC(F)[*:1] NC(=O)[C@@H]1CN(CCO1)Cc1ccc(cc1)OC[*:1]
NC(=O)[C@@H]1CN(Cc2ccc(OCC(F)F)cc2)CCO1 NC(=O)[*:1] FC(F)COc1ccc(cc1)CN1CCO[C@@H](C1)[*:1]
C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccco1)[*:1]
C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc(C#N)cc1 c1coc(c1)[*:1] C[C@@H](NC(=O)N(Cc1ccccc1)C[*:1])c1ccc(C#N)cc1
C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc(C#N)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N(Cc1ccco1)C[*:1])c1ccc(C#N)cc1
C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc(C#N)cc1 c1coc(c1)C[*:1] C[C@@H](NC(=O)N(Cc1ccccc1)[*:1])c1ccc(C#N)cc1
C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc(C#N)cc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)N(Cc1ccco1)[*:1])c1ccc(C#N)cc1
O=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(NCC1CCN(CC1)c1nc2ccccc2s1)[*:1]
COc1ccc(NC(=S)N[C@H]2C=C(c3ccccc3)N=N2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=S)N[C@H]1C=C(N=N1)[*:1]
COCC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl CC(C)C[*:1] COCC(=O)Nc1cc(ccc1Cl)C(=O)NC[*:1]
COCC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl CC(C)[*:1] COCC(=O)Nc1cc(ccc1Cl)C(=O)NCC[*:1]
COCC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl COC[*:1] CC(C)CCNC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
COCC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl CC(C)CC[*:1] COCC(=O)Nc1cc(ccc1Cl)C(=O)N[*:1]
COCC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl COCC(=O)N[*:1] CC(C)CCNC(=O)c1ccc(Cl)c(c1)[*:1]
O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)c1ccc2c(c1)-c1ccccc1C2 O=C([O-])[*:1] O=C(Cn1nc(c2ccccc2c1=O)[*:1])c1ccc2Cc3ccccc3-c2c1
CNC(=O)COc1cc(C)c(Br)c(C)c1C CNC(=O)[*:1] Cc1cc(OC[*:1])c(C)c(C)c1Br
CNC(=O)COc1cc(C)c(Br)c(C)c1C CNC(=O)C[*:1] Cc1cc(O[*:1])c(C)c(C)c1Br
COC(=O)CNC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 COC(=O)[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)NC[*:1]
Cc1cc(=O)c(C(=O)N2CCC[C@H](Cn3cc(CC4CCCCC4)nn3)C2)c[nH]1 C1CCC(CC1)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)N1CCC[C@@H](C1)Cn1cc(C[*:1])nn1
Cc1cc(=O)c(C(=O)N2CCC[C@H](Cn3cc(CC4CCCCC4)nn3)C2)c[nH]1 C1CCC(CC1)C[*:1] Cc1cc(=O)c(c[nH]1)C(=O)N1CCC[C@@H](C1)Cn1cc(nn1)[*:1]
Cc1cc(=O)c(C(=O)N2CCC[C@H](Cn3cc(CC4CCCCC4)nn3)C2)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] O=C(N1CCC[C@@H](C1)Cn1cc(CC2CCCCC2)nn1)[*:1]
O=C(Nc1ccccc1)c1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)CSc1ccc(cn1)S(=O)(=O)N1CCOCC1
O=C(Nc1ccccc1)c1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1ccccc1)c1ccc(cc1)CSc1ccc(cn1)[*:1]
O=C(Nc1ccccc1)c1ccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 O=C(Nc1ccccc1)[*:1] O=S(=O)(c1ccc(nc1)SCc1ccc(cc1)[*:1])N1CCOCC1
CCN(CC)C(=O)[C@]12C(=O)Oc3ccccc3[C@H]1[C@@]2(C)C(=O)c1ccc(F)cc1 CCN(CC)C(=O)[*:1] C[C@@]1(C(=O)c2ccc(F)cc2)[C@@H]2c3ccccc3OC(=O)[C@]21[*:1]
CCN(CC)C(=O)[C@]12C(=O)Oc3ccccc3[C@H]1[C@@]2(C)C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(CC)C(=O)[C@]12C(=O)Oc3ccccc3[C@H]1[C@@]2(C)C(=O)[*:1]
CCN(CC)C(=O)[C@]12C(=O)Oc3ccccc3[C@H]1[C@@]2(C)C(=O)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] CCN(CC)C(=O)[C@]12C(=O)Oc3ccccc3[C@H]1[C@]2(C)[*:1]
O=C1OC(c2ccccc2Br)=N/C1=C\c1cccc([N+](=O)[O-])c1 Brc1ccccc1[*:1] O=C1OC(=N/C1=C\c1cccc(c1)[N+](=O)[O-])[*:1]
O=C1OC(c2ccccc2Br)=N/C1=C\c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C1OC(=N/C1=C\c1cccc(c1)[*:1])c1ccccc1Br
CC(C)COc1ccc(CNC(=O)C(C)(C)N2CC[NH+](C)CC2)cc1 CC(C)CO[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)NCc1ccc(cc1)[*:1]
CC(C)COc1ccc(CNC(=O)C(C)(C)N2CC[NH+](C)CC2)cc1 CC(C)[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)NCc1ccc(cc1)OC[*:1]
CC(C)COc1ccc(CNC(=O)C(C)(C)N2CC[NH+](C)CC2)cc1 CC(C)C[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)NCc1ccc(cc1)O[*:1]
Fc1cccc(-n2ccc(CN3CCO[C@@H](Cn4cccn4)C3)n2)c1 c1cnn(c1)[*:1] Fc1cccc(c1)-n1ccc(CN2CCO[C@H](C2)C[*:1])n1
Fc1cccc(-n2ccc(CN3CCO[C@@H](Cn4cccn4)C3)n2)c1 Fc1cccc(c1)[*:1] c1cnn(c1)C[C@H]1CN(CCO1)Cc1ccn(n1)[*:1]
Fc1cccc(-n2ccc(CN3CCO[C@@H](Cn4cccn4)C3)n2)c1 c1cnn(c1)C[*:1] Fc1cccc(c1)-n1ccc(CN2CCO[C@@H](C2)[*:1])n1
N#CC1(C(=O)OCc2coc(-c3cccs3)n2)CCCC1 N#CC1(CCCC1)[*:1] O=C(OCc1coc(n1)-c1cccs1)[*:1]
N#CC1(C(=O)OCc2coc(-c3cccs3)n2)CCCC1 c1csc(c1)[*:1] N#CC1(CCCC1)C(=O)OCc1coc(n1)[*:1]
C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCCN(C1)C(=O)OC(C)(C)C)[*:1]
C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccco1 CC(C)(C)[*:1] C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCCN(C1)C(=O)O[*:1])c1ccco1
O=C(NC[C@@]1(O)CCSC1)c1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(nc1)[*:1]
NC(=O)c1cn[nH]c1NC(=O)CCOCc1ccccc1 c1ccc(cc1)[*:1] NC(=O)c1cn[nH]c1NC(=O)CCOC[*:1]
NC(=O)c1cn[nH]c1NC(=O)CCOCc1ccccc1 NC(=O)[*:1] O=C(CCOCc1ccccc1)Nc1[nH]ncc1[*:1]
NC(=O)c1cn[nH]c1NC(=O)CCOCc1ccccc1 c1ccc(cc1)C[*:1] NC(=O)c1cn[nH]c1NC(=O)CCO[*:1]
COc1cc(C)ccc1OC(=O)c1ccc(C(N)=O)cc1 NC(=O)[*:1] COc1cc(C)ccc1OC(=O)c1ccc(cc1)[*:1]
CC(C)(Nc1ncc(N)cc1Br)C(N)=O NC(=O)[*:1] CC(C)(Nc1ncc(N)cc1Br)[*:1]
Cc1nc2cc(NC(=O)C(=O)NCc3cccc(N(C)C)[nH+]3)ccc2o1 CN(C)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NCc1cccc([nH+]1)[*:1]
Cc1nc(CCCN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cs1 Cc1nc(cs1)C[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1ccc(F)cc1
Cc1nc(CCCN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cs1 Cc1nc(cs1)[*:1] C[C@]1(NC(=O)N(CCC[*:1])C1=O)c1ccc(F)cc1
Cc1nc(CCCN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)CCCN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1nc(CCCN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cs1 Cc1nc(cs1)CC[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1
Cc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cc1-n1cnnn1 CC(C)(C)[*:1] Cc1ccc(cc1-n1cnnn1)NC(=O)c1c(C)nc([nH]c1=O)[*:1]
Cc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cc1-n1cnnn1 c1nnnn1[*:1] Cc1ccc(cc1[*:1])NC(=O)c1c(C)nc([nH]c1=O)C(C)(C)C
CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(F)c(F)c1F O=C([O-])C[*:1] CC[C@@H](C)N(C(=O)c1ccc(F)c(F)c1F)[*:1]
CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(F)c(F)c1F O=C([O-])[*:1] CC[C@@H](C)N(C[*:1])C(=O)c1ccc(F)c(F)c1F
CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(F)c(F)c1F CC[C@@H](C)[*:1] O=C([O-])CN(C(=O)c1ccc(F)c(F)c1F)[*:1]
CCOC(=O)c1c(N)oc2c(-c3ccc(Cl)cc3)c3c(C(=O)OCC)c(N)oc3cc12 CCOC(=O)[*:1] CCOC(=O)c1c(N)oc2c(-c3ccc(Cl)cc3)c3c(c(N)oc3cc12)[*:1]
CCOC(=O)c1c(N)oc2c(-c3ccc(Cl)cc3)c3c(C(=O)OCC)c(N)oc3cc12 CCOC(=O)[*:1] CCOC(=O)c1c(N)oc2cc3c(c(N)oc3c(-c3ccc(Cl)cc3)c12)[*:1]
CCOC(=O)c1c(N)oc2c(-c3ccc(Cl)cc3)c3c(C(=O)OCC)c(N)oc3cc12 Clc1ccc(cc1)[*:1] CCOC(=O)c1c(N)oc2c(c3c(C(=O)OCC)c(N)oc3cc12)[*:1]
CCC(CC)[C@@H]([NH2+]C)[C@@H]1CN(CC)CCO1 CCC(CC)[*:1] CCN1CCO[C@@H](C1)[C@H]([NH2+]C)[*:1]
CC(C)(C)n1cnnc1SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 CC(C)(C)[*:1] O=c1[nH]c(CSc2nncn2[*:1])nc2sc3CCCCc3c12
Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccccc3Cl)CC2)o1 Cc1ccsc1[*:1] Clc1ccccc1C[NH+]1CCC(CC1)c1nnc(o1)[*:1]
Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccccc3Cl)CC2)o1 Clc1ccccc1[*:1] Cc1ccsc1-c1nnc(o1)C1CC[NH+](CC1)C[*:1]
Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccccc3Cl)CC2)o1 Clc1ccccc1C[*:1] Cc1ccsc1-c1nnc(o1)C1CC[NH+](CC1)[*:1]
C[C@H](OC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)c1cnc2ccccc2c1 Fc1ccc(cc1)[*:1] C[C@H](OC(=O)[C@H](C)S(=O)(=O)[*:1])c1cnc2ccccc2c1
CC(=O)c1ccc(N2C(=O)[C@@H](C(C)C)NC2=S)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)N1C(=O)[C@@H](NC1=S)[*:1]
CC(=O)c1ccc(N2C(=O)[C@@H](C(C)C)NC2=S)cc1 CC(=O)[*:1] CC(C)[C@H]1NC(=S)N(C1=O)c1ccc(cc1)[*:1]
CC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)s1 CC(=O)[*:1] Clc1ccc(s1)[C@H]1C[C@H]1[*:1]
O=C(c1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCC3)ncn2)CC1 c1cc2OCOc2cc1[*:1] O=C(N1CCN(CC1)c1cc(ncn1)N1CCCC1)[*:1]
O=C(c1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCC3)ncn2)CC1 C1CCN(C1)[*:1] O=C(c1ccc2OCOc2c1)N1CCN(CC1)c1cc(ncn1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccccc2Cl)c1 CCC[*:1] C[C@H](NC(=O)Nc1cccc(c1)NC(=O)[*:1])c1ccccc1Cl
CCCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccccc2Cl)c1 CCCC(=O)N[*:1] C[C@H](NC(=O)Nc1cccc(c1)[*:1])c1ccccc1Cl
CCCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccccc2Cl)c1 Clc1ccccc1[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)N[C@@H](C)[*:1]
COC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br FC(F)(F)[*:1] COC(=O)c1nn2c(cc(nc2c1Br)-c1ccc(Br)o1)[*:1]
COC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br COC(=O)[*:1] FC(F)(F)c1cc(nc2c(Br)c(nn12)[*:1])-c1ccc(Br)o1
COC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br Brc1ccc(o1)[*:1] COC(=O)c1nn2c(cc(nc2c1Br)[*:1])C(F)(F)F
O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)s1 c1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)C(=O)N1CCC[C@H](C1)C(=O)N1CCCC1
O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)s1 O=C(Nc1ccccc1)[*:1] O=C(c1nnc(s1)[*:1])N1CCC[C@H](C1)C(=O)N1CCCC1
O=C(Nc1ccccc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)s1 O=C(N1CCCC1)[*:1] O=C(Nc1ccccc1)c1nnc(s1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc([C@H]([NH3+])[C@H](C)Sc2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)[C@H]([NH3+])[C@H](C)S[*:1]
CC[C@@H]1CC[C@]2(C[NH+]=C(N)N2Cc2cccs2)C1 c1csc(c1)[*:1] CC[C@@H]1CC[C@]2(C[NH+]=C(N)N2C[*:1])C1
CC[C@@H]1CC[C@]2(C[NH+]=C(N)N2Cc2cccs2)C1 c1csc(c1)C[*:1] CC[C@@H]1CC[C@]2(C[NH+]=C(N)N2[*:1])C1
N#C/C(=C\c1ccc[nH]1)c1nc(-c2ccc(O)c(C(N)=O)c2)cs1 c1c[nH]c(c1)[*:1] N#CC(=C[*:1])c1nc(cs1)-c1ccc(O)c(c1)C(N)=O
N#C/C(=C\c1ccc[nH]1)c1nc(-c2ccc(O)c(C(N)=O)c2)cs1 NC(=O)[*:1] N#C/C(=C\c1ccc[nH]1)c1nc(cs1)-c1ccc(O)c(c1)[*:1]
O=C(C=C(C1CC1)C1CC1)N(Cc1cccnc1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(C=C(C1CC1)C1CC1)N(Cc1cccnc1)C[*:1]
O=C(C=C(C1CC1)C1CC1)N(Cc1cccnc1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(C=C(C1CC1)C1CC1)N(Cc1cccnc1)[*:1]
O=C(C=C(C1CC1)C1CC1)N(Cc1cccnc1)C[C@H]1CCCO1 C1CC1[*:1] O=C(C=C(C1CC1)[*:1])N(Cc1cccnc1)C[C@H]1CCCO1
O=C(C=C(C1CC1)C1CC1)N(Cc1cccnc1)C[C@H]1CCCO1 c1cncc(c1)[*:1] O=C(C=C(C1CC1)C1CC1)N(C[C@H]1CCCO1)C[*:1]
O=C(C=C(C1CC1)C1CC1)N(Cc1cccnc1)C[C@H]1CCCO1 C(=C(C1CC1)C1CC1)[*:1] O=C(N(Cc1cccnc1)C[C@H]1CCCO1)[*:1]
O=C(C=C(C1CC1)C1CC1)N(Cc1cccnc1)C[C@H]1CCCO1 c1cncc(c1)C[*:1] O=C(C=C(C1CC1)C1CC1)N(C[C@H]1CCCO1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(OCC(C)C)CC1 CC(C)CO[*:1] Cc1ccc(cc1NC(=O)C[NH+]1CCC(CC1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(OCC(C)C)CC1 CC(C)[*:1] Cc1ccc(cc1NC(=O)C[NH+]1CCC(CC1)OC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(OCC(C)C)CC1 CC(C)C[*:1] Cc1ccc(cc1NC(=O)C[NH+]1CCC(CC1)O[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(OCC(C)C)CC1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)C[NH+]1CCC(CC1)OCC(C)C)[*:1]
CCC[NH+]1CCCN(Cc2cnc3nc(C)cc(C)n23)CC1 CCC[*:1] Cc1cc(C)n2c(cnc2n1)CN1CCC[NH+](CC1)[*:1]
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1COc2ccccc2O1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(cc1)OC[*:1])[C@@H]1COc2ccccc2O1
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1COc2ccccc2O1 O=[N+]([O-])c1ccc(cc1)C[*:1] O=C(N/N=C/c1ccc(cc1)O[*:1])[C@@H]1COc2ccccc2O1
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1COc2ccccc2O1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(cc1)OCc1ccc(cc1)[*:1])[C@@H]1COc2ccccc2O1
O=C([O-])CCNC(=O)C1CCCC1 O=C([O-])[*:1] O=C(NCC[*:1])C1CCCC1
O=C([O-])CCNC(=O)C1CCCC1 O=C([O-])C[*:1] O=C(NC[*:1])C1CCCC1
CCCCOC(=O)/N=C1\N=N[C@@H](c2ccco2)S1 CCC[*:1] O=C(/N=C1\N=N[C@H](S1)c1ccco1)OC[*:1]
CCCCOC(=O)/N=C1\N=N[C@@H](c2ccco2)S1 c1coc(c1)[*:1] CCCCOC(=O)/N=C1\N=N[C@@H](S1)[*:1]
CCCCOC(=O)/N=C1\N=N[C@@H](c2ccco2)S1 CCCC[*:1] O=C(/N=C1\N=N[C@H](S1)c1ccco1)O[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 Clc1ccc(cc1)[*:1] COC(=O)[C@H]([NH+]1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] COC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 COC(=O)[*:1] O=S(=O)(c1ccc(F)c(F)c1)N1CC[NH+](CC1)[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1cc(NC(=O)[C@H](C)Sc2nnc(N3C[C@@H](C)C[C@@H](C)C3)n2Cc2ccco2)on1 c1coc(c1)C[*:1] Cc1cc(NC(=O)[C@H](C)Sc2nnc(N3C[C@@H](C)C[C@@H](C)C3)n2[*:1])on1
Cc1cc(NC(=O)[C@H](C)Sc2nnc(N3C[C@@H](C)C[C@@H](C)C3)n2Cc2ccco2)on1 Cc1cc(NC(=O)[*:1])on1 C[C@H]1C[C@@H](C)CN(C1)c1nnc(S[C@@H](C)[*:1])n1Cc1ccco1
Cc1cc(NC(=O)[C@H](C)Sc2nnc(N3C[C@@H](C)C[C@@H](C)C3)n2Cc2ccco2)on1 Cc1cc(on1)[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nnc(S[C@@H](C)C(=O)N[*:1])n1Cc1ccco1
Cc1cc(NC(=O)[C@H](C)Sc2nnc(N3C[C@@H](C)C[C@@H](C)C3)n2Cc2ccco2)on1 c1coc(c1)[*:1] Cc1cc(NC(=O)[C@H](C)Sc2nnc(N3C[C@@H](C)C[C@@H](C)C3)n2C[*:1])on1
Cc1[nH+]c(SCc2cc([O-])n3ncc(C#N)c3n2)n(C2CCCCC2)c1C C1CCC(CC1)[*:1] Cc1[nH+]c(SCc2cc([O-])n3ncc(C#N)c3n2)n(c1C)[*:1]
CN(C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 C1CC1[*:1] CN(C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)[*:1]
CN(C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 CC(C)(C)[*:1] CN(C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)O[*:1])C1CC1
Cc1nn(C)cc1/C=N/N=C1\CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C Cc1nn(C)cc1[*:1] C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C[*:1]
CC[C@@]1(C)Cc2ccccc2/C(=N\c2c(C)n(C)n(-c3ccccc3)c2=O)N1 c1ccc(cc1)[*:1] CC[C@@]1(C)Cc2ccccc2/C(=N\c2c(C)n(C)n(c2=O)[*:1])N1
Cc1cc(=O)n(C)cc1NC(=O)c1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] Cc1cc(=O)n(C)cc1NC(=O)c1ccc(nc1)[*:1]
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N(C)CC[C@@H](C)O C1CCC(C1)[*:1] Cc1cc(ccc1NC(=O)N(C)CC[C@@H](C)O)C(=O)N[*:1]
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N(C)CC[C@@H](C)O O=C(NC1CCCC1)[*:1] Cc1cc(ccc1NC(=O)N(C)CC[C@@H](C)O)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 Cc1ccc(cc1)O[*:1] C[C@H](NC(=O)[C@H](C)[*:1])c1ccc(cc1)S(N)(=O)=O
Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N[C@@H](C)c1ccc(cc1)S(N)(=O)=O
COc1cccc([C@@H](C)CC(=O)NNC(=O)c2cccnc2)c1 c1cncc(c1)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)NNC(=O)[*:1]
CC(=O)N[C@H](CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1)c1ccccc1 CC(=O)N[*:1] O=C(C[C@H](c1ccccc1)[*:1])N(C[C@H]1CCCO1)[C@@H]1CCSC1
CC(=O)N[C@H](CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1)[*:1]
CC(=O)N[C@H](CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1)c1ccccc1 C1CO[C@H](C1)C[*:1] CC(=O)N[C@H](CC(=O)N([C@@H]1CCSC1)[*:1])c1ccccc1
CC(=O)N[C@H](CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1)c1ccccc1 C1CO[C@H](C1)[*:1] CC(=O)N[C@H](CC(=O)N(C[*:1])[C@@H]1CCSC1)c1ccccc1
CC[C@@H](C)C[C@@H](C[NH2+]C1CC1)c1ccc(C)cc1 C1CC1[*:1] CC[C@@H](C)C[C@@H](C[NH2+][*:1])c1ccc(C)cc1
CC[C@@H](C)C[C@@H](C[NH2+]C1CC1)c1ccc(C)cc1 CC[C@@H](C)[*:1] Cc1ccc(cc1)[C@H](C[NH2+]C1CC1)C[*:1]
CC[C@@H](C)C[C@@H](C[NH2+]C1CC1)c1ccc(C)cc1 CC[C@@H](C)C[*:1] Cc1ccc(cc1)[C@H](C[NH2+]C1CC1)[*:1]
C[NH+]1CCN(C(=O)c2cccc(NC(=O)c3ccncc3)c2)CC1 c1cc(ccn1)[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)[*:1]
CCCN1C(N)=[NH+]C[C@@H]1c1cccc(C)c1 CCC[*:1] Cc1cccc(c1)[C@H]1C[NH+]=C(N)N1[*:1]
Cc1cc(C)cc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 C1CN(CCO1)[*:1] Cc1cc(C)cc(c1)NC(=O)c1ccc(cc1)C[*:1]
Cc1cc(C)cc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)CN1CCOCC1
Cc1cc(C)cc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 C1CN(CCO1)C[*:1] Cc1cc(C)cc(c1)NC(=O)c1ccc(cc1)[*:1]
COc1ccccc1N[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 Clc1ccc(cc1)C[*:1] COc1ccccc1N[C@H](C)c1nc(no1)[*:1]
COc1ccccc1N[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 COc1ccccc1[*:1] C[C@@H](N[*:1])c1nc(Cc2ccc(Cl)cc2)no1
COc1ccccc1N[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] COc1ccccc1N[C@H](C)c1nc(C[*:1])no1
C[C@@H](NCc1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] C[C@@H](NCc1ccc(Cl)cc1)c1nc(cs1)[*:1]
C[C@@H](NCc1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1 Clc1ccc(cc1)[*:1] C[C@@H](NC[*:1])c1nc(cs1)-c1ccncc1
Cc1nc2cccnc2n1-c1ccc(C(=O)NCc2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1nc2cccnc2n1-c1ccc(cc1)C(=O)NC[*:1]
Cc1nc2cccnc2n1-c1ccc(C(=O)NCc2ccccn2)cc1 c1ccc(C[*:1])nc1 Cc1nc2cccnc2n1-c1ccc(cc1)C(=O)N[*:1]
COc1ccc(NC(=O)N2CCCC[C@H]2CN2CCCC2=O)cc1F O=C1CCCN1[*:1] COc1ccc(cc1F)NC(=O)N1CCCC[C@H]1C[*:1]
COc1ccc(NC(=O)N2CCCC[C@H]2CN2CCCC2=O)cc1F O=C1CCCN1C[*:1] COc1ccc(cc1F)NC(=O)N1CCCC[C@@H]1[*:1]
CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(C)c(c1)NS(=O)(=O)c1cc(ccc1C)[*:1]
CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 CC(=O)N[*:1] Cc1ccc(cc1NS(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])[*:1]
COc1ccc(CCN2C(=O)CS/C2=N\c2ccc(C)cc2C)cc1OC Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1OC)CCN1C(=O)CSC1=N[*:1]
O=C1C[C@@H](C(=O)NCC(=O)OC2CCCCC2)c2ccccc2N1 C1CCC(CC1)[*:1] O=C1C[C@@H](C(=O)NCC(=O)O[*:1])c2ccccc2N1
C/C(=C/C(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C/C(=C/C(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(c1)[*:1]
CC(C)(CO)[NH2+]C[C@@H](O)COc1ccc(F)cc1 CC(C)(CO)[*:1] O[C@H](C[NH2+][*:1])COc1ccc(F)cc1
COc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)c4ccc(C)cc4)nc3c2)cc1 Cc1ccc(cc1)C(=O)N[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccc2sc(nc2c1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)c4ccc(C)cc4)nc3c2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccc2sc(nc2c1)NC(=O)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)c4ccc(C)cc4)nc3c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)Nc1nc2cc(ccc2s1)NS(=O)(=O)[*:1]
CC[C@]1(C)Cc2nc3sc4c(=O)n(CCc5ccccc5)cnc4c3cc2CO1 c1ccc(cc1)[*:1] CC[C@]1(C)Cc2nc3sc4c(=O)n(cnc4c3cc2CO1)CC[*:1]
CC[C@]1(C)Cc2nc3sc4c(=O)n(CCc5ccccc5)cnc4c3cc2CO1 c1ccc(cc1)CC[*:1] CC[C@]1(C)Cc2nc3sc4c(=O)n(cnc4c3cc2CO1)[*:1]
CC[C@]1(C)Cc2nc3sc4c(=O)n(CCc5ccccc5)cnc4c3cc2CO1 c1ccc(cc1)C[*:1] CC[C@]1(C)Cc2nc3sc4c(=O)n(cnc4c3cc2CO1)C[*:1]
Cc1ccc(Sc2ccc(NC(=O)CN3CCN(C(=O)C4CC4)CC3)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CN1CCN(CC1)C(=O)C1CC1)Nc1ccc(cc1)S[*:1]
Cc1ccc(Sc2ccc(NC(=O)CN3CCN(C(=O)C4CC4)CC3)cc2)c(C)c1 Cc1ccc(S[*:1])c(C)c1 O=C(CN1CCN(CC1)C(=O)C1CC1)Nc1ccc(cc1)[*:1]
Cc1ccc(Sc2ccc(NC(=O)CN3CCN(C(=O)C4CC4)CC3)cc2)c(C)c1 C1CC1[*:1] Cc1ccc(Sc2ccc(cc2)NC(=O)CN2CCN(CC2)C(=O)[*:1])c(C)c1
Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c1 Cc1cccc(c1)[*:1] O=C(c1ccco1)N(Cc1cc2ccccc2[nH]c1=O)[*:1]
Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c1 c1coc(c1)[*:1] Cc1cccc(c1)N(Cc1cc2ccccc2[nH]c1=O)C(=O)[*:1]
CCOCCO[C@H](C)C(=O)Nc1ccc(Br)nc1C CCO[*:1] Cc1nc(Br)ccc1NC(=O)[C@@H](C)OCC[*:1]
CCOCCO[C@H](C)C(=O)Nc1ccc(Br)nc1C CCOCCO[*:1] Cc1nc(Br)ccc1NC(=O)[C@@H](C)[*:1]
CCOCCO[C@H](C)C(=O)Nc1ccc(Br)nc1C CCOC[*:1] Cc1nc(Br)ccc1NC(=O)[C@@H](C)OC[*:1]
CCOCCO[C@H](C)C(=O)Nc1ccc(Br)nc1C CCOCC[*:1] Cc1nc(Br)ccc1NC(=O)[C@@H](C)O[*:1]
CCOC(=O)c1cc2c(ccn2C)n1CC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N[*:1]
CCOC(=O)c1cc2c(ccn2C)n1CC(=O)Nc1ccccc1 CCOC(=O)[*:1] Cn1ccc2c1cc(n2CC(=O)Nc1ccccc1)[*:1]
CCCO[C@@H]1CCCN(C(=O)CC(=O)Nc2ccc(C)cc2C)C1 CCCO[*:1] Cc1ccc(NC(=O)CC(=O)N2CCC[C@H](C2)[*:1])c(C)c1
CCCO[C@@H]1CCCN(C(=O)CC(=O)Nc2ccc(C)cc2C)C1 CCC[*:1] Cc1ccc(NC(=O)CC(=O)N2CCC[C@H](C2)O[*:1])c(C)c1
CCCO[C@@H]1CCCN(C(=O)CC(=O)Nc2ccc(C)cc2C)C1 Cc1ccc(c(C)c1)[*:1] CCCO[C@@H]1CCCN(C1)C(=O)CC(=O)N[*:1]
O=C(Oc1ccccc1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 c1ccc(cc1)[*:1] O=C(O[*:1])N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)[*:1]
O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 c1ccc2c(c1)CCC[C@H]2[*:1] O=C(N[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccc2OCCOc2c1
CCOc1cccc2cc(-c3cc(=O)oc4ccc(C)cc34)oc12 CCO[*:1] Cc1ccc2oc(=O)cc(-c3cc4cccc(c4o3)[*:1])c2c1
Cc1cc(F)ccc1CCNC(=O)c1sccc1Br Brc1ccsc1[*:1] Cc1cc(F)ccc1CCNC(=O)[*:1]
CCC[C@H]1CN(C(=O)c2csc(I)c2)CCO1 CCC[*:1] O=C(c1csc(I)c1)N1CCO[C@H](C1)[*:1]
O=C(Cl)c1cc(=O)n2ccsc2n1 O=C(Cl)[*:1] O=c1cc(nc2sccn12)[*:1]
O=C(NCCCO)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 OCCC[*:1] O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[*:1]
O=C(NCCCO)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 OCC[*:1] O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC[*:1]
Cc1ccc(CC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cc1O C1CO[C@@H](C1)CN[*:1] Cc1ccc(cc1O)CC(=O)Nc1ccc(c(F)c1)[*:1]
Cc1ccc(CC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cc1O Cc1ccc(cc1O)[*:1] O=C(C[*:1])Nc1ccc(NC[C@@H]2CCCO2)c(F)c1
COc1cccc(OCCNC(=O)Nc2ccc(OC)cc2Cl)c1 COc1cccc(c1)[*:1] COc1ccc(NC(=O)NCCO[*:1])c(Cl)c1
COC(C)(C)CNC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C CC(C)(C)S[*:1] COC(C)(C)CNC(=O)C(=O)Nc1ccc(cc1C)[*:1]
COC(C)(C)CNC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C COC(C)(C)C[*:1] Cc1cc(ccc1NC(=O)C(=O)N[*:1])SC(C)(C)C
COC(C)(C)CNC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C CC(C)(C)[*:1] COC(C)(C)CNC(=O)C(=O)Nc1ccc(cc1C)S[*:1]
COC(C)(C)CNC(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C COC(C)(C)[*:1] Cc1cc(ccc1NC(=O)C(=O)NC[*:1])SC(C)(C)C
CO[C@]1(C)C[C@H](N(C)C(=O)NC[C@H](C)Cn2nc(C)cc2C)C1(C)C Cc1cc(C)n(n1)[*:1] CO[C@]1(C)C[C@H](N(C)C(=O)NC[C@H](C)C[*:1])C1(C)C
CO[C@]1(C)C[C@H](N(C)C(=O)NC[C@H](C)Cn2nc(C)cc2C)C1(C)C Cc1cc(C)n(C[*:1])n1 CO[C@]1(C)C[C@H](N(C)C(=O)NC[C@H](C)[*:1])C1(C)C
O=C(Nc1cn[nH]c1)N1CCC[C@@H]1Cc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1cn[nH]c1)N1CCC[C@@H]1C[*:1]
O=C(Nc1cn[nH]c1)N1CCC[C@@H]1Cc1cccc(F)c1 c1n[nH]cc1[*:1] O=C(N[*:1])N1CCC[C@@H]1Cc1cccc(F)c1
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 CCC[*:1] O=C([C@@H]1CN(CCO1)Cc1ccccc1)N1CCC[C@H](C1)NC(=O)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 CCCC(=O)N[*:1] O=C([C@@H]1CN(CCO1)Cc1ccccc1)N1CCC[C@H](C1)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 c1ccc(cc1)C[*:1] CCCC(=O)N[C@@H]1CCCN(C1)C(=O)[C@@H]1CN(CCO1)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 c1ccc(cc1)[*:1] CCCC(=O)N[C@@H]1CCCN(C1)C(=O)[C@@H]1CN(CCO1)C[*:1]
Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(C)(=O)=O)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc2cc(CN(S(C)(=O)=O)[*:1])c(=O)[nH]c2c1
CS(=O)(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 Cl/C=C(\Cl)[*:1] CS(=O)(=O)N1CCC(CC1)NC[*:1]
CS(=O)(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 Cl/C=C(\Cl)C[*:1] CS(=O)(=O)N1CCC(CC1)N[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)C1 NS(=O)(=O)[*:1] CCS[C@@H]1CC[C@H](C1)NC(=O)c1ccc(C)c(c1)[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)C1 CCS[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)N[C@@H]1CC[C@H](C1)[*:1]
O=C1CCC[C@@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C1 O=[N+]([O-])[*:1] O=C1CCC[C@H](C1)Oc1ccc(c2ccccc12)[*:1]
CC(=O)Nc1ccc(SCC(=O)Nc2ccc(C(C)C)cc2)nn1 CC(=O)N[*:1] CC(C)c1ccc(cc1)NC(=O)CSc1ccc(nn1)[*:1]
CC(=O)Nc1ccc(SCC(=O)Nc2ccc(C(C)C)cc2)nn1 CC(C)[*:1] CC(=O)Nc1ccc(nn1)SCC(=O)Nc1ccc(cc1)[*:1]
CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] CN(Cc1ccc(cc1)C[NH+](C)C)C(=O)N[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)Oc2ccccc2F)C(C)C)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)O[*:1])C(C)C
Cc1ccc(C(=O)N[C@@H](C(=O)Oc2ccccc2F)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)Oc1ccccc1F
Cc1ccc(C(=O)N[C@@H](C(=O)Oc2ccccc2F)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)Oc1ccccc1F)[*:1]
COc1ccc(CC[C@@H](C)NC(=O)Nc2cccnc2-n2cccn2)cc1 COc1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)Nc1cccnc1-n1cccn1
COc1ccc(CC[C@@H](C)NC(=O)Nc2cccnc2-n2cccn2)cc1 COc1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)Nc1cccnc1-n1cccn1
COc1ccc(CC[C@@H](C)NC(=O)Nc2cccnc2-n2cccn2)cc1 c1cnn(c1)[*:1] COc1ccc(cc1)CC[C@@H](C)NC(=O)Nc1cccnc1[*:1]
CCC[C@@H]1CC[C@]2(C)[C@H]3[NH+]=c4ccccc4=C3CCCN2C1=O CCC[*:1] C[C@]12CC[C@H](C(=O)N1CCCC1=c3ccccc3=[NH+][C@@H]12)[*:1]
COc1ccccc1CNc1nc2nc(CNc3ccc(C)c(Cl)c3)cc([O-])n2n1 Cc1ccc(cc1Cl)NC[*:1] COc1ccccc1CNc1nc2nc(cc([O-])n2n1)[*:1]
COc1ccccc1CNc1nc2nc(CNc3ccc(C)c(Cl)c3)cc([O-])n2n1 COc1ccccc1CN[*:1] Cc1ccc(cc1Cl)NCc1cc([O-])n2nc(nc2n1)[*:1]
COc1ccccc1CNc1nc2nc(CNc3ccc(C)c(Cl)c3)cc([O-])n2n1 COc1ccccc1C[*:1] Cc1ccc(cc1Cl)NCc1cc([O-])n2nc(nc2n1)N[*:1]
COc1ccccc1CNc1nc2nc(CNc3ccc(C)c(Cl)c3)cc([O-])n2n1 Cc1ccc(cc1Cl)[*:1] COc1ccccc1CNc1nc2nc(cc([O-])n2n1)CN[*:1]
COc1ccccc1CNc1nc2nc(CNc3ccc(C)c(Cl)c3)cc([O-])n2n1 COc1ccccc1[*:1] Cc1ccc(cc1Cl)NCc1cc([O-])n2nc(nc2n1)NC[*:1]
COc1ccccc1CNc1nc2nc(CNc3ccc(C)c(Cl)c3)cc([O-])n2n1 Cc1ccc(cc1Cl)N[*:1] COc1ccccc1CNc1nc2nc(cc([O-])n2n1)C[*:1]
Cc1ccc([C@@H](C)NC(=O)N2CCC(OCC(C)C)CC2)o1 CC(C)C[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N1CCC(CC1)O[*:1]
Cc1ccc([C@@H](C)NC(=O)N2CCC(OCC(C)C)CC2)o1 Cc1ccc(o1)[*:1] CC(C)COC1CCN(CC1)C(=O)N[C@H](C)[*:1]
Cc1ccc([C@@H](C)NC(=O)N2CCC(OCC(C)C)CC2)o1 CC(C)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N1CCC(CC1)OC[*:1]
Cc1ccc([C@@H](C)NC(=O)N2CCC(OCC(C)C)CC2)o1 CC(C)CO[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N1CCC(CC1)[*:1]
C[C@@H](NC1=[NH+]CCC1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NC1CCC[NH+]=1)[*:1]
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(Cc1ccc(s1)S(=O)(=O)N1CCCCC1)N[*:1]
C[C@]1(c2ccccn2)C[NH+]=C(N)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@]1(C[NH+]=C(N)N1C[*:1])c1ccccn1
C[C@]1(c2ccccn2)C[NH+]=C(N)N1C[C@H]1CCCO1 c1ccc(nc1)[*:1] C[C@@]1(C[NH+]=C(N)N1C[C@H]1CCCO1)[*:1]
C[C@]1(c2ccccn2)C[NH+]=C(N)N1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C[C@@]1(C[NH+]=C(N)N1[*:1])c1ccccn1
CC(C)CN(C)C(=O)c1ccccc1I CC(C)[*:1] CN(C[*:1])C(=O)c1ccccc1I
CC(C)CN(C)C(=O)c1ccccc1I CC(C)C[*:1] CN(C(=O)c1ccccc1I)[*:1]
Cc1noc(C)c1CN(C)C(=O)c1ncccc1OCC(F)(F)F Cc1noc(C)c1C[*:1] CN(C(=O)c1ncccc1OCC(F)(F)F)[*:1]
Cc1noc(C)c1CN(C)C(=O)c1ncccc1OCC(F)(F)F FC(F)(F)CO[*:1] Cc1noc(C)c1CN(C)C(=O)c1ncccc1[*:1]
Cc1noc(C)c1CN(C)C(=O)c1ncccc1OCC(F)(F)F Cc1noc(C)c1[*:1] CN(C[*:1])C(=O)c1ncccc1OCC(F)(F)F
Cc1noc(C)c1CN(C)C(=O)c1ncccc1OCC(F)(F)F FC(F)(F)C[*:1] Cc1noc(C)c1CN(C)C(=O)c1ncccc1O[*:1]
Cc1noc(C)c1CN(C)C(=O)c1ncccc1OCC(F)(F)F FC(F)(F)[*:1] Cc1noc(C)c1CN(C)C(=O)c1ncccc1OC[*:1]
C[NH+](C)C[C@H]1CCCC[C@H]1NC(=O)CCC1CCCC1 C1CCC(C1)[*:1] C[NH+](C)C[C@H]1CCCC[C@H]1NC(=O)CC[*:1]
C[NH+](C)C[C@H]1CCCC[C@H]1NC(=O)CCC1CCCC1 C1CCC(C1)C[*:1] C[NH+](C)C[C@H]1CCCC[C@H]1NC(=O)C[*:1]
Cc1ccccc1[C@@]1(C(C)(C)C)CCC[NH2+]1 CC(C)(C)[*:1] Cc1ccccc1[C@]1(CCC[NH2+]1)[*:1]
COc1ccc(OCCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CCC[C@H](C1)NC(=O)NCCO[*:1]
O=[N+]([O-])/C=C/c1c(F)c(F)c(F)c(F)c1F O=[N+]([O-])C=C[*:1] Fc1c(F)c(F)c(c(F)c1F)[*:1]
O=[N+]([O-])/C=C/c1c(F)c(F)c(F)c(F)c1F O=[N+]([O-])[*:1] Fc1c(F)c(F)c(C=C[*:1])c(F)c1F
CCCNC(=S)c1ccccc1N CCC[*:1] Nc1ccccc1C(=S)N[*:1]
COc1cc(F)cc(CNC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 O=C(N[*:1])C1CC1 COc1cc(F)cc(c1)CNC(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1cc(F)cc(CNC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 C1CC1[*:1] COc1cc(F)cc(c1)CNC(=O)N[C@H](C)c1ccc(cc1)NC(=O)[*:1]
COc1cc(F)cc(CNC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 COc1cc(F)cc(c1)[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(cc1)NC(=O)C1CC1
CCONC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl CCONC(=O)[*:1] O=C(c1cc(Cl)ccc1Cl)N1CCC[C@H]1[*:1]
CC1(C)CN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1(C)C c1ccc(cc1)[*:1] CC1(C)CN(C(=O)C2CCN(CC2)C(=O)N[*:1])C1(C)C
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccs2)c1 Fc1ccc2nc(sc2c1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccs1)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccs2)c1 COc1cccc(c1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2cccs2)N1c1nc2ccc(F)cc2s1)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccs2)c1 c1csc(c1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccs2)c1 COc1cccc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccs2)N1c1nc2ccc(F)cc2s1
CCc1nn(C)c(Cl)c1C[NH+](CCO)CC1CC1 OCC[*:1] CCc1nn(C)c(Cl)c1C[NH+](CC1CC1)[*:1]
CCc1nn(C)c(Cl)c1C[NH+](CCO)CC1CC1 C1CC1C[*:1] CCc1nn(C)c(Cl)c1C[NH+](CCO)[*:1]
CCc1nn(C)c(Cl)c1C[NH+](CCO)CC1CC1 C1CC1[*:1] CCc1nn(C)c(Cl)c1C[NH+](CCO)C[*:1]
COC[C@H](C)[NH+]1CCN(Cc2noc(C(C)C)n2)CC1 COC[*:1] CC(C)c1nc(CN2CC[NH+](CC2)[C@@H](C)[*:1])no1
COC[C@H](C)[NH+]1CCN(Cc2noc(C(C)C)n2)CC1 CC(C)[*:1] COC[C@H](C)[NH+]1CCN(CC1)Cc1noc(n1)[*:1]
O=C(NC1CC1)c1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NC1CC1)c1cc(F)ccc1[*:1]
O=C(NC1CC1)c1cc(F)ccc1[N+](=O)[O-] C1CC1[*:1] O=C(N[*:1])c1cc(F)ccc1[N+](=O)[O-]
COc1cccc(OC)c1[C@H](Br)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] COc1cccc(OC)c1[C@H](Br)[C@@H](C)[*:1]
CC1=NN(c2ccccc2)[C@H](C)[C@@H]1/C=N/NC1[NH+]=c2ccccc2=[NH+]1 c1ccc(cc1)[*:1] CC1=NN([C@H](C)[C@@H]1/C=N/NC1[NH+]=c2ccccc2=[NH+]1)[*:1]
CC(C)[C@@H]([NH3+])[C@H](C)c1ccc(F)cc1 CC(C)[*:1] C[C@H](c1ccc(F)cc1)[C@H]([NH3+])[*:1]
C=CCCC[C@@H]([NH2+]C)[C@H]1CN2CCC[C@@H]2CO1 C=CCC[*:1] C[NH2+][C@H](C[*:1])[C@H]1CN2CCC[C@@H]2CO1
C=CCCC[C@@H]([NH2+]C)[C@H]1CN2CCC[C@@H]2CO1 C=CCCC[*:1] C[NH2+][C@@H]([C@H]1CN2CCC[C@@H]2CO1)[*:1]
C=CCCC[C@@H]([NH2+]C)[C@H]1CN2CCC[C@@H]2CO1 C=CC[*:1] C[NH2+][C@H](CC[*:1])[C@H]1CN2CCC[C@@H]2CO1
COC(=O)Cc1csc(NC(=O)NC2CC2)n1 COC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])NC1CC1
COC(=O)Cc1csc(NC(=O)NC2CC2)n1 COC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])NC1CC1
COC(=O)Cc1csc(NC(=O)NC2CC2)n1 C1CC1[*:1] COC(=O)Cc1csc(n1)NC(=O)N[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@@H](C)c3cccc(F)c3)C2)c1 CCOC(=O)[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1])c1cccc(F)c1
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@@H](C)c3cccc(F)c3)C2)c1 Fc1cccc(c1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)[C@@H](C)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@@H](C)c3cccc(F)c3)C2)c1 C[C@@H](c1cccc(F)c1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@H]([NH2+]CCO)c1cc(F)cc(F)c1 OCC[*:1] C[C@H]([NH2+][*:1])c1cc(F)cc(F)c1
Cc1cc2c(cc1CN1CCc3[nH]c[nH+]c3[C@@H]1c1ccc(Cl)nc1)OCO2 Clc1ccc(cn1)[*:1] Cc1cc2OCOc2cc1CN1CCc2[nH]c[nH+]c2[C@H]1[*:1]
O=C1C[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(Cl)cc1 FC(F)(F)[*:1] O=C1C[C@H](C(=O)N1c1ccc(Cl)cc1)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
O=C1C[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N1[*:1])N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
O=C1C[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C1C[C@H](C(=O)N1c1ccc(Cl)cc1)N1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
COc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2c(C)cc(C(C)(C)C)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(cc(C)c1CS(=O)(=O)[C@@H](C)C(=O)N[*:1])C(C)(C)C
COc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2c(C)cc(C(C)(C)C)cc2C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)NC(=O)[C@H](C)S(=O)(=O)Cc1c(C)cc(cc1C)[*:1]
COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CC1)Cn1cc[nH+]c1[*:1]
COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 COc1ccc(Cl)cc1[*:1] O=C(C[NH+]1CCC(CC1)Cn1cc[nH+]c1-c1ccccc1)N[*:1]
CC(C)Oc1ccc(C(=O)NC[C@H](O)c2ccc3c(c2)CCO3)cc1 CC(C)O[*:1] O=C(NC[C@H](O)c1ccc2OCCc2c1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)NC[C@H](O)c2ccc3c(c2)CCO3)cc1 CC(C)[*:1] O=C(NC[C@H](O)c1ccc2OCCc2c1)c1ccc(cc1)O[*:1]
CC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 FC(F)(F)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)NC[*:1]
CC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 CC(=O)N[*:1] O=C(Cc1ccc(cc1)[*:1])NCC(F)(F)F
CC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 FC(F)(F)C[*:1] CC(=O)Nc1ccc(cc1)CC(=O)N[*:1]
CSCC[C@H](C)NC(=O)NC[C@@H]1CCC[C@H](O)C1 CSCC[C@H](C)[*:1] O=C(NC[C@@H]1CCC[C@H](O)C1)N[*:1]
CSCC[C@H](C)NC(=O)NC[C@@H]1CCC[C@H](O)C1 CSC[*:1] C[C@@H](C[*:1])NC(=O)NC[C@@H]1CCC[C@H](O)C1
CSCC[C@H](C)NC(=O)NC[C@@H]1CCC[C@H](O)C1 CSCC[*:1] C[C@H](NC(=O)NC[C@@H]1CCC[C@H](O)C1)[*:1]
CCCCN(C(=O)CCl)[C@H](C)CC CC[C@@H](C)[*:1] CCCCN(C(=O)CCl)[*:1]
CCCCN(C(=O)CCl)[C@H](C)CC CCC[*:1] CC[C@@H](C)N(C[*:1])C(=O)CCl
CCCCN(C(=O)CCl)[C@H](C)CC CCCC[*:1] CC[C@@H](C)N(C(=O)CCl)[*:1]
Cc1cccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c1 O=C(C1CC1)[*:1] Cc1cccc(c1)NC(=O)Cn1cc(c2ccccc21)[*:1]
Cc1cccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c1 C1CC1[*:1] Cc1cccc(c1)NC(=O)Cn1cc(C(=O)[*:1])c2ccccc21
Cc1cccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c1 Cc1cccc(c1)[*:1] O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)N[*:1]
CCOc1cc(CN(C)C(=O)c2sccc2C)ccc1OC(F)F FC(F)[*:1] CCOc1cc(ccc1O[*:1])CN(C)C(=O)c1sccc1C
CCOc1cc(CN(C)C(=O)c2sccc2C)ccc1OC(F)F Cc1ccsc1[*:1] CCOc1cc(ccc1OC(F)F)CN(C)C(=O)[*:1]
CCOc1cc(CN(C)C(=O)c2sccc2C)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(ccc1[*:1])CN(C)C(=O)c1sccc1C
CCOc1cc(CN(C)C(=O)c2sccc2C)ccc1OC(F)F CCO[*:1] Cc1ccsc1C(=O)N(C)Cc1ccc(OC(F)F)c(c1)[*:1]
C[C@H]1C[C@@H]1NC(=O)c1ccnc(C2CC2)n1 C1CC1[*:1] C[C@H]1C[C@@H]1NC(=O)c1ccnc(n1)[*:1]
C[C@H]1C[C@@H]1NC(=O)c1ccnc(C2CC2)n1 C[C@H]1C[C@H]1[*:1] O=C(N[*:1])c1ccnc(n1)C1CC1
Cc1ccsc1C(=O)NNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccsc1C(=O)NNS(=O)(=O)c1c(C)cccc1[*:1]
Cc1ccsc1C(=O)NNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] Cc1ccsc1[*:1] Cc1cccc(c1S(=O)(=O)NNC(=O)[*:1])[N+](=O)[O-]
CSC1(SC)[C@H](Oc2ccccc2)C(=O)N1C1CCCCC1 c1ccc(cc1)O[*:1] CSC1(SC)[C@H](C(=O)N1C1CCCCC1)[*:1]
CSC1(SC)[C@H](Oc2ccccc2)C(=O)N1C1CCCCC1 c1ccc(cc1)[*:1] CSC1(SC)[C@H](O[*:1])C(=O)N1C1CCCCC1
CSC1(SC)[C@H](Oc2ccccc2)C(=O)N1C1CCCCC1 C1CCC(CC1)[*:1] CSC1(SC)[C@H](Oc2ccccc2)C(=O)N1[*:1]
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc[nH]1 c1c[nH]c(c1)[*:1] CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2[*:1]
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)o1 COc1ccccc1[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc2OCCOc2c1
O=[N+]([O-])c1ccccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 O=[N+]([O-])[*:1] c1ccc(c(c1)N1CCC[C@H](C1)c1[nH]cc[nH+]1)[*:1]
CCc1nc(NC(=O)c2cn(C)nc2C(C)(C)C)sc1C CC(C)(C)[*:1] CCc1nc(NC(=O)c2cn(C)nc2[*:1])sc1C
Cc1n[nH]c(SCC(=O)N(C)Cc2ccccc2Cl)n1 Cc1n[nH]c(n1)[*:1] CN(Cc1ccccc1Cl)C(=O)CS[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)n1C Cc1cccc(C)c1[*:1] C[C@H](Sc1nnc(-c2ccc(cc2)NC(=O)c2ccccc2)n1C)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)n1C Cc1cccc(C)c1NC(=O)[*:1] C[C@H](Sc1nnc(-c2ccc(cc2)NC(=O)c2ccccc2)n1C)[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)n1C O=C(N[*:1])c1ccccc1 Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccc(cc2)[*:1])n1C
Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)n1C c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccc(cc2)NC(=O)[*:1])n1C
COc1ccc(C[C@]2(C)OC(c3ccncc3)=NN2C(C)=O)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)C[C@]1(C)OC(=NN1C(C)=O)[*:1]
COc1ccc(C[C@]2(C)OC(c3ccncc3)=NN2C(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N1N=C(O[C@@]1(C)C[*:1])c1ccncc1
CC(=O)c1cccc(OC[C@H]2COc3ccccc32)c1 CC(=O)[*:1] c1cc(cc(c1)[*:1])OC[C@H]1COc2ccccc21
C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@H](NC(=O)COc1cccc(c1)[N+](=O)[O-])[*:1]
C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 O=[N+]([O-])[*:1] C[C@H](NC(=O)COc1cccc(c1)[*:1])c1cccc(Br)c1
COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(F)c(OC)c2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] COc1cc(ccc1F)[C@H](C)[NH2+][C@@H](C1CCOCC1)[*:1]
COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(F)c(OC)c2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H]([NH2+][C@@H](C)c1ccc(F)c(c1)OC)[*:1]
COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(F)c(OC)c2)C2CCOCC2)cc1 COc1cc(ccc1F)[*:1] COc1ccc(cc1)[C@@H]([NH2+][C@@H](C)[*:1])C1CCOCC1
C/C(=C/CCCl)c1ccc(F)cc1F ClCC[*:1] CC(=C[*:1])c1ccc(F)cc1F
O=C(Nc1cccc(Cn2cccn2)c1)C(=O)NC1CCCCCC1 c1cnn(c1)C[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)NC1CCCCCC1
O=C(Nc1cccc(Cn2cccn2)c1)C(=O)NC1CCCCCC1 c1cnn(c1)[*:1] O=C(Nc1cccc(c1)C[*:1])C(=O)NC1CCCCCC1
O=C(Nc1cccc(Cn2cccn2)c1)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(Nc1cccc(c1)Cn1cccn1)C(=O)N[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)c1ccccc1 CCOC(=O)C[*:1] C[C@@H](CNC(=O)c1ccccc1)[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)c1ccccc1 CCOC(=O)[*:1] C[C@@H](CNC(=O)c1ccccc1)C[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C[C@@H](C)CNC(=O)[*:1]
Cc1nn(CC(=O)Nc2cnc(-c3ccccc3)s2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] Cc1nn(CC(=O)Nc2cnc(s2)[*:1])c(=O)c2ccccc12
Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 O=S1(=O)CCCN1[*:1] Cc1ccc(cc1NS(=O)(=O)c1ccc(cc1)C(C)C)[*:1]
Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 CC(C)c1ccc(cc1)[*:1] Cc1ccc(cc1NS(=O)(=O)[*:1])N1CCCS1(=O)=O
Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1NS(=O)(=O)c1ccc(cc1)[*:1])N1CCCS1(=O)=O
CCC(=CC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1)CC CCC(=C[*:1])CC Cc1nc(no1)[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
CCC(=CC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1)CC Clc1ccc(cc1)[*:1] CCC(=CC(=O)N[C@H](c1noc(C)n1)[*:1])CC
CCC(=CC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1)CC Cc1nc(no1)[*:1] CCC(=CC(=O)N[C@H](c1ccc(Cl)cc1)[*:1])CC
CCCN1CCO[C@@H](c2noc([C@H]([NH3+])CC)n2)C1 CCC[*:1] CC[C@@H]([NH3+])c1nc(no1)[C@H]1CN(CCO1)[*:1]
Cc1nn(C)c(C)c1CCC/[NH+]=C(/N)Nc1ccc2c(c1)CCC2 Cc1nn(C)c(C)c1[*:1] N/C(Nc1ccc2CCCc2c1)=[NH+]/CCC[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccc(F)cc2C)CC1 Cc1ccccc1C[*:1] Cc1cc(F)ccc1C(=O)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccc(F)cc2C)CC1 Cc1ccccc1[*:1] Cc1cc(F)ccc1C(=O)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccc(F)cc2C)CC1 Cc1cc(F)ccc1[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)[*:1]
C/[NH+]=C(/NCCc1ncc(C)s1)N[C@H](C)c1ccccc1Cl Cc1cnc(C[*:1])s1 C/[NH+]=C(/NC[*:1])N[C@H](C)c1ccccc1Cl
C/[NH+]=C(/NCCc1ncc(C)s1)N[C@H](C)c1ccccc1Cl Cc1cnc(s1)[*:1] C/[NH+]=C(/NCC[*:1])N[C@H](C)c1ccccc1Cl
C/[NH+]=C(/NCCc1ncc(C)s1)N[C@H](C)c1ccccc1Cl Clc1ccccc1[*:1] C/[NH+]=C(/NCCc1ncc(C)s1)N[C@H](C)[*:1]
Cc1cccn2c(=O)c(C(=O)Nc3cccnc3Cl)cnc12 Clc1ncccc1[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N[*:1]
COc1ccccc1-c1cc(CN(C(=O)CCCl)C2CC2)no1 C1CC1[*:1] COc1ccccc1-c1cc(CN(C(=O)CCCl)[*:1])no1
COc1ccccc1-c1cc(CN(C(=O)CCCl)C2CC2)no1 ClCC[*:1] COc1ccccc1-c1cc(CN(C(=O)[*:1])C2CC2)no1
O=C(NC[C@H]1C[C@@]12CCc1ccccc12)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)N[*:1]
COCCn1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc21 COCC[*:1] O=C(CSc1nc2ccccc2n1[*:1])N1CCc2ccccc2C1
COCCn1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc21 COC[*:1] O=C(CSc1nc2ccccc2n1C[*:1])N1CCc2ccccc2C1
Cc1ccc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)[O-])cnn2-c2ccccc2)CC1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCC(CC1)c1c(cnn1-c1ccccc1)[*:1]
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)[O-])cnn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)c1c(cnn1[*:1])C(=O)[O-]
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)[O-])cnn2-c2ccccc2)CC1 CC(C)(C)[*:1] O=C([O-])c1cnn(-c2ccccc2)c1C1CCN(CC1)C(=O)O[*:1]
CC(C)Cn1c(=O)c(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)nc2ccccc21 CC(C)C[*:1] O=C(Nc1ccc2OCCOc2c1)c1ccc(cc1)-c1nc2ccccc2n(c1=O)[*:1]
CC(C)Cn1c(=O)c(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)nc2ccccc21 CC(C)[*:1] O=C(Nc1ccc2OCCOc2c1)c1ccc(cc1)-c1nc2ccccc2n(C[*:1])c1=O
CC(C)Cn1c(=O)c(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)nc2ccccc21 c1cc2OCCOc2cc1[*:1] CC(C)Cn1c(=O)c(nc2ccccc21)-c1ccc(cc1)C(=O)N[*:1]
Cn1cc(Br)cc(NC(=O)N[C@@H](CO)c2ccco2)c1=O c1coc(c1)[*:1] Cn1cc(Br)cc(NC(=O)N[C@@H](CO)[*:1])c1=O
CC(=O)Nc1c(C)cc(NC(=O)Cc2ccc(Cl)nc2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)Cc1ccc(Cl)nc1
CC(=O)Nc1c(C)cc(NC(=O)Cc2ccc(Cl)nc2)cc1C Clc1ccc(cn1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)C[*:1]
Cc1cc(NC(=O)NC[C@H](O)c2cccc(F)c2)no1 Cc1cc(no1)[*:1] O=C(NC[C@H](O)c1cccc(F)c1)N[*:1]
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN(C)C(=O)c1cc(nn1[*:1])C1CC1)[C@@H]1CCS(=O)(=O)C1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 C1CC1[*:1] Cc1nn(c(C)c1CN(C)C(=O)c1cc(nn1-c1ccccc1)[*:1])[C@@H]1CCS(=O)(=O)C1
C[C@@H](NC(=O)N(C)Cc1ccncc1)c1cccc(Br)c1 c1cc(ccn1)C[*:1] C[C@@H](NC(=O)N(C)[*:1])c1cccc(Br)c1
C[C@@H](NC(=O)N(C)Cc1ccncc1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@@H](NC(=O)N(C)Cc1ccncc1)[*:1]
C[C@@H](NC(=O)N(C)Cc1ccncc1)c1cccc(Br)c1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1cccc(Br)c1
CCc1c(C)nn([C@H]2CC[C@]([NH2+]C(C)C)(C(N)=O)C2)c1C NC(=O)[*:1] CCc1c(C)nn(c1C)[C@H]1CC[C@@](C1)([NH2+]C(C)C)[*:1]
CCc1c(C)nn([C@H]2CC[C@]([NH2+]C(C)C)(C(N)=O)C2)c1C CC(C)[*:1] CCc1c(C)nn(c1C)[C@H]1CC[C@](C1)([NH2+][*:1])C(N)=O
CN(C)C(=O)c1cc([C@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)nc2ccccc12 CN(C)C(=O)[*:1] O=S(=O)(N1CCOCC1)N1CCO[C@H](C1)c1cc(c2ccccc2n1)[*:1]
Cc1cccc2[nH+]c(CNC(=O)c3cc(F)ccc3[N+](=O)[O-])cn12 O=[N+]([O-])[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)c1cc(F)ccc1[*:1]
CC(C)c1cc(C(=O)NCc2ccc([S@](C)=O)cc2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
CC(C)c1cc(C(=O)NCc2ccc([S@](C)=O)cc2)n(C)n1 C[S@](=O)[*:1] CC(C)c1cc(C(=O)NCc2ccc(cc2)[*:1])n(C)n1
Cc1cccc(-c2[nH]ncc2CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 Cc1cccc(c1)[*:1] c1n[nH]c(c1CN1CC[C@H](C1)C[NH+]1CCCCC1)[*:1]
O=C(Nc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1)c1ccco1 c1coc(c1)[*:1] O=C(NCc1ccc(cc1)NC(=O)[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
O=C(Nc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(NCc1ccc(cc1)[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
Cc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1C c1ccc(nc1)[*:1] Cc1ccc(cc1C)OC(=O)[C@@H]1CCCN1C(=O)[*:1]
Cc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1C Cc1ccc(cc1C)[*:1] O=C(O[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
O=C1[C@@H]2CCC[C@@H]2N1CN1CCN(c2ccc(F)cn2)CC1 Fc1ccc(nc1)[*:1] O=C1[C@@H]2CCC[C@@H]2N1CN1CCN(CC1)[*:1]
CN(CC1CC1)C(=O)C[C@H]1C[NH2+]CCO1 C1CC1C[*:1] CN(C(=O)C[C@H]1C[NH2+]CCO1)[*:1]
CN(CC1CC1)C(=O)C[C@H]1C[NH2+]CCO1 C1CC1[*:1] CN(C[*:1])C(=O)C[C@H]1C[NH2+]CCO1
COCc1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 CS(=O)(=O)C[*:1] COCc1ccc(cc1)CNC(=O)c1ccc(cc1)[*:1]
COCc1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 COC[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)NCc1ccc(cc1)[*:1]
COCc1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] COCc1ccc(cc1)CNC(=O)c1ccc(cc1)C[*:1]
O=C(c1ccc(-c2ccccc2)cc1)N1C[C@@H](C[NH+]2CCCC2)C[C@@H](CO)C1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)[*:1])N1C[C@H](C[C@@H](CO)C1)C[NH+]1CCCC1
COc1ccc(C[NH+](C)CC(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1 Cc1noc(C)c1[*:1] COc1ccc(cc1)C[NH+](C)CC(=O)N1CCN(CC1)C[*:1]
COc1ccc(C[NH+](C)CC(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1 COc1ccc(cc1)C[*:1] Cc1noc(C)c1CN1CCN(CC1)C(=O)C[NH+](C)[*:1]
COc1ccc(C[NH+](C)CC(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1 Cc1noc(C)c1C[*:1] COc1ccc(cc1)C[NH+](C)CC(=O)N1CCN(CC1)[*:1]
COc1ccc(C[NH+](C)CC(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1noc(C)c1CN1CCN(CC1)C(=O)C[NH+](C)C[*:1]
O=C(NCc1cccc(OCC(F)F)n1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 FC(F)CO[*:1] O=C(NCc1cccc(n1)[*:1])N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2
O=C(NCc1cccc(OCC(F)F)n1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 FC(F)[*:1] O=C(NCc1cccc(n1)OC[*:1])N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2
O=C(NCc1cccc(OCC(F)F)n1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 FC(F)C[*:1] O=C(NCc1cccc(n1)O[*:1])N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2
C[NH+]1CCN(c2ncnc(NCCc3ccccc3)c2N)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ncnc(NCC[*:1])c1N
C[NH+]1CCN(c2ncnc(NCCc3ccccc3)c2N)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCN(CC1)c1ncnc(NC[*:1])c1N
CC[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)NC[C@@H](N1CCOCC1)[*:1]
CC[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)[*:1]
Cn1c(C2CC2)nc2cc(NC(=O)C(=O)N3CC[C@H](CO)C3)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)N1CC[C@H](CO)C1)[*:1]
O=C(NCc1cccnc1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 c1cncc(c1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-n1cccn1
O=C(NCc1cccnc1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 c1cnn(c1)[*:1] O=C(NCc1cccnc1)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
O=C(NCc1cccnc1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 c1cncc(c1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-n1cccn1
CC[C@@H](CO)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 CC[C@@H](CO)[*:1] O=[N+]([O-])c1cc(ccc1N1CCN(CC1)[*:1])C(F)(F)F
CC[C@@H](CO)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] CC[C@@H](CO)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
CC[C@@H](CO)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC[C@@H](CO)N1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
COc1cc(F)cc(NNC(=O)C[C@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cc(F)cc(c1)NNC(=O)C[C@H](O)[*:1]
O=C(NCc1ccccc1Oc1ccccc1)N[C@@H]1C=C[C@H](CO)C1 c1ccc(cc1)O[*:1] O=C(NCc1ccccc1[*:1])N[C@@H]1C=C[C@H](CO)C1
O=C(NCc1ccccc1Oc1ccccc1)N[C@@H]1C=C[C@H](CO)C1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1O[*:1])N[C@@H]1C=C[C@H](CO)C1
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1ccccc1[*:1]
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1ccccc1-c1ccccc1
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1ccccc1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])C(=O)Nc1ccccc1-c1ccccc1
Cc1ccc([C@@H](C)[NH2+][C@H](C)CCc2ccco2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)[C@@H](C)[NH2+][C@H](C)C[*:1]
Cc1ccc([C@@H](C)[NH2+][C@H](C)CCc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@@H](C)[NH2+][C@H](C)CC[*:1]
CCOc1cc(C[NH+]2CCN(C)C(=O)C2(C)C)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(cc1[*:1])C[NH+]1CCN(C)C(=O)C1(C)C
C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)CCO1 Fc1ccccc1[*:1] C[C@@H]1CN(CCO1)C(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)N1CCc2ccccc21 Fc1ccccc1[*:1] O=C(CN1C(=O)C(=C[*:1])Sc2ccccc21)N1CCc2ccccc21
COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F C1CC1[*:1] COC(=O)C1=C(C)N(C(=O)N[C@@H]1c1ccccc1C(F)(F)F)[*:1]
COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] COC(=O)C1=C(C)N(C(=O)N[C@@H]1c1ccccc1[*:1])C1CC1
COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F COC(=O)[*:1] CC1=C([C@H](NC(=O)N1C1CC1)c1ccccc1C(F)(F)F)[*:1]
Cc1nccc([C@@H]2CN(S(=O)(=O)c3cn(C)cn3)CCO2)n1 Cc1nccc(n1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCO[C@@H](C1)[*:1]
Cc1nccc([C@@H]2CN(S(=O)(=O)c3cn(C)cn3)CCO2)n1 Cn1cnc(c1)[*:1] Cc1nccc(n1)[C@@H]1CN(CCO1)S(=O)(=O)[*:1]
CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)O[C@@H]2CCOC2)cc1 CC(C)[*:1] O=C(O[C@@H]1CCOC1)[C@H]1C[C@H]1c1ccc(cc1)[*:1]
CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)O[C@@H]2CCOC2)cc1 C1C[C@H](CO1)[*:1] CC(C)c1ccc(cc1)[C@@H]1C[C@@H]1C(=O)O[*:1]
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H]3CCCN(c4nc5ccc(OC)cc5s4)C3)nc21 COc1ccc2nc(sc2c1)[*:1] CCOC(=O)[C@@H]1CCc2sc(nc21)NC(=O)[C@@H]1CCCN(C1)[*:1]
CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H]3CCCN(c4nc5ccc(OC)cc5s4)C3)nc21 CCOC(=O)[*:1] COc1ccc2nc(sc2c1)N1CCC[C@H](C1)C(=O)Nc1nc2c(CC[C@H]2[*:1])s1
C[C@H]1CN(CCCNC(=O)C(F)(F)F)C[C@H](c2ccsc2)O1 O=C(N[*:1])C(F)(F)F C[C@H]1CN(CCC[*:1])C[C@@H](O1)c1ccsc1
C[C@H]1CN(CCCNC(=O)C(F)(F)F)C[C@H](c2ccsc2)O1 FC(F)(F)[*:1] C[C@H]1CN(CCCNC(=O)[*:1])C[C@@H](O1)c1ccsc1
C[C@H]1CN(CCCNC(=O)C(F)(F)F)C[C@H](c2ccsc2)O1 c1cc(cs1)[*:1] C[C@H]1CN(CCCNC(=O)C(F)(F)F)C[C@H](O1)[*:1]
Cc1cc([C@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1nc2ccccc2n1C(F)F
Cc1cc([C@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)c(C)o1 FC(F)[*:1] Cc1cc(c(C)o1)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1[*:1]
CCc1cccc(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3C)C2)c1 Cc1ccccc1[*:1] CCc1cccc(c1)NC(=O)C(=O)N1CCO[C@@H](C1)[*:1]
CCc1cccc(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3C)C2)c1 CCc1cccc(c1)[*:1] Cc1ccccc1[C@H]1CN(CCO1)C(=O)C(=O)N[*:1]
Cc1csc(N(C)C(=O)C[C@H](O)c2ccc(Cl)cc2)n1 Cc1csc(n1)[*:1] CN(C(=O)C[C@H](O)c1ccc(Cl)cc1)[*:1]
NC(=O)c1cc(NC(=O)[C@@H]2CC=CCC2)ccc1Cl NC(=O)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])[C@@H]1CC=CCC1
CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2ccccc2)CC1 CC(C)(C)[*:1] CN(C(=O)O[*:1])[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1ccccc1
CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2ccccc2)CC1 Oc1ccc(cc1)[*:1] CN(C(=O)OC(C)(C)C)[C@@H](C[*:1])C(=O)N1CCN(CC1)c1ccccc1
CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2ccccc2)CC1 Oc1ccc(cc1)C[*:1] CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCN(CC1)c1ccccc1)[*:1]
CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2ccccc2)CC1 CN(C(=O)OC(C)(C)C)[*:1] O=C([C@H](Cc1ccc(O)cc1)[*:1])N1CCN(CC1)c1ccccc1
CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)[*:1]
O=C(CCc1ccccc1O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(CCc1ccccc1O)N[C@@H]1C=C[C@H](C1)[*:1]
Nc1ccc(-c2nc(-c3cnccn3)no2)cn1 c1cnc(cn1)[*:1] Nc1ccc(cn1)-c1nc(no1)[*:1]
CC(C)Oc1ccc(C(=O)NC[C@H](O)c2c(F)cccc2F)cn1 Fc1cccc(F)c1[*:1] CC(C)Oc1ccc(cn1)C(=O)NC[C@H](O)[*:1]
CC(C)Oc1ccc(C(=O)NC[C@H](O)c2c(F)cccc2F)cn1 CC(C)[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)c1ccc(nc1)O[*:1]
CC(C)Oc1ccc(C(=O)NC[C@H](O)c2c(F)cccc2F)cn1 CC(C)O[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)c1ccc(nc1)[*:1]
CCN(C(=O)CNc1ccc(F)c(C(=O)N(C)C)c1)C1CCCCC1 CN(C)C(=O)[*:1] CCN(C(=O)CNc1ccc(F)c(c1)[*:1])C1CCCCC1
CCN(C(=O)CNc1ccc(F)c(C(=O)N(C)C)c1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)CNc1ccc(F)c(c1)C(=O)N(C)C)[*:1]
C/C(=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(NC(=O)c2cccnc2)cc1 c1cncc(c1)[*:1] C/C(=N\NC(=O)c1cc(nc2ccccc12)-c1cccs1)c1ccc(cc1)NC(=O)[*:1]
C/C(=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(NC(=O)c2cccnc2)cc1 O=C(N[*:1])c1cccnc1 C/C(=N\NC(=O)c1cc(nc2ccccc12)-c1cccs1)c1ccc(cc1)[*:1]
C/C(=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(NC(=O)c2cccnc2)cc1 c1csc(c1)[*:1] C/C(=N\NC(=O)c1cc(nc2ccccc12)[*:1])c1ccc(cc1)NC(=O)c1cccnc1
O=C(CCNc1ncccc1F)NCc1ccncc1 c1cc(ccn1)[*:1] O=C(CCNc1ncccc1F)NC[*:1]
O=C(NC[C@@H](C(=O)[O-])c1ccccc1)c1nnn[n-]1 O=C([O-])[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])c1nnn[n-]1
O=C(NC[C@@H](C(=O)[O-])c1ccccc1)c1nnn[n-]1 c1ccc(cc1)[*:1] O=C(NC[C@@H](C(=O)[O-])[*:1])c1nnn[n-]1
C[C@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 CN(C)S(=O)(=O)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccc(cc1)[*:1]
CC(C)NC(=O)NC(=O)[C@H](C)Sc1nnc2n(C)c3ccccc3n12 CC(C)[*:1] C[C@H](Sc1nnc2n(C)c3ccccc3n12)C(=O)NC(=O)N[*:1]
C[C@H](CNC(=O)c1ccnc(OC2CCC2)c1)C[C@@H](C)O C1CC(C1)[*:1] C[C@H](CNC(=O)c1ccnc(c1)O[*:1])C[C@@H](C)O
C[C@H](CNC(=O)c1ccnc(OC2CCC2)c1)C[C@@H](C)O C1CC(C1)O[*:1] C[C@H](CNC(=O)c1ccnc(c1)[*:1])C[C@@H](C)O
C[C@H](CNC(=O)c1ccnc(OC2CCC2)c1)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)c1ccnc(c1)OC1CCC1)C[*:1]
C[C@H](CNC(=O)c1ccnc(OC2CCC2)c1)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)c1ccnc(c1)OC1CCC1)[*:1]
COCC(=O)N1CC[NH+](C)Cc2ccccc21 COC[*:1] C[NH+]1CCN(C(=O)[*:1])c2ccccc2C1
CC[C@H](NC(=O)C[C@@H](O)c1cccc(F)c1)c1ccc2c(c1)OCCO2 Fc1cccc(c1)[*:1] CC[C@H](NC(=O)C[C@@H](O)[*:1])c1ccc2OCCOc2c1
CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)o2)cc1 Cc1occc1[*:1] CC[C@@H](C)c1ccc(cc1)NC(=O)CSc1nnc(o1)[*:1]
CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)o2)cc1 CC[C@@H](C)[*:1] Cc1occc1-c1nnc(o1)SCC(=O)Nc1ccc(cc1)[*:1]
CCc1cccc(CC)c1NC(=O)[C@H](CC)Sc1nnc(C)n2c1cc1occc12 CCc1cccc(CC)c1[*:1] CC[C@H](Sc1nnc(C)n2c1cc1occc12)C(=O)N[*:1]
O=C(CSc1ncnc2c1cnn2-c1ccccc1)N[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CSc1ncnc2c1cnn2[*:1])N[C@H]1CCS(=O)(=O)C1
N#Cc1c(-c2ccc(Cl)cc2Cl)nn(-c2ccc(C(F)(F)F)cn2)c1N FC(F)(F)[*:1] N#Cc1c(nn(-c2ccc(cn2)[*:1])c1N)-c1ccc(Cl)cc1Cl
N#Cc1c(-c2ccc(Cl)cc2Cl)nn(-c2ccc(C(F)(F)F)cn2)c1N Clc1ccc(c(Cl)c1)[*:1] N#Cc1c(nn(-c2ccc(cn2)C(F)(F)F)c1N)[*:1]
Cc1ccc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1[N+](=O)[O-] c1ccc(cc1)C[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N[C@H](C)c1noc(n1)[*:1]
Cc1ccc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N[C@H](C)c1noc(C[*:1])n1
Cc1ccc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1
Cc1cc(N2CCN(C(=O)Cc3cccc(O)c3)CC2)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])N1CCN(CC1)C(=O)Cc1cccc(O)c1
Cc1cc(N2CCN(C(=O)Cc3cccc(O)c3)CC2)nc(C(C)C)n1 Oc1cccc(c1)[*:1] Cc1cc(nc(n1)C(C)C)N1CCN(CC1)C(=O)C[*:1]
Cc1cc(N2CCN(C(=O)Cc3cccc(O)c3)CC2)nc(C(C)C)n1 Oc1cccc(c1)C[*:1] Cc1cc(nc(n1)C(C)C)N1CCN(CC1)C(=O)[*:1]
C=CCSCC(=O)N[C@@H](C)C(=O)OC COC(=O)[*:1] C=CCSCC(=O)N[C@@H](C)[*:1]
C=CCSCC(=O)N[C@@H](C)C(=O)OC C=CCS[*:1] COC(=O)[C@H](C)NC(=O)C[*:1]
C=CCSCC(=O)N[C@@H](C)C(=O)OC C=CC[*:1] COC(=O)[C@H](C)NC(=O)CS[*:1]
CCOc1cc(/C=C(/C#N)C(=O)N2CCCC2)ccc1OC(F)F CCO[*:1] N#C/C(=C/c1ccc(OC(F)F)c(c1)[*:1])C(=O)N1CCCC1
CCOc1cc(/C=C(/C#N)C(=O)N2CCCC2)ccc1OC(F)F O=C(N1CCCC1)[*:1] CCOc1cc(C=C(C#N)[*:1])ccc1OC(F)F
CCOc1cc(/C=C(/C#N)C(=O)N2CCCC2)ccc1OC(F)F FC(F)[*:1] CCOc1cc(/C=C(/C#N)C(=O)N2CCCC2)ccc1O[*:1]
CCOc1cc(/C=C(/C#N)C(=O)N2CCCC2)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(/C=C(/C#N)C(=O)N2CCCC2)ccc1[*:1]
Cc1noc([C@@H](OC(=O)CC2CCC2)c2ccccc2)n1 C1CC(C1)C[*:1] Cc1noc(n1)[C@@H](OC(=O)[*:1])c1ccccc1
Cc1noc([C@@H](OC(=O)CC2CCC2)c2ccccc2)n1 Cc1noc(n1)[*:1] O=C(CC1CCC1)O[C@@H](c1ccccc1)[*:1]
Cc1noc([C@@H](OC(=O)CC2CCC2)c2ccccc2)n1 C1CC(C1)[*:1] Cc1noc(n1)[C@@H](OC(=O)C[*:1])c1ccccc1
Cc1noc([C@@H](OC(=O)CC2CCC2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@@H](OC(=O)CC1CCC1)[*:1]
C[C@@H](O)CCC(=O)N1Cc2ccccc2C1 C[C@@H](O)CC[*:1] O=C(N1Cc2ccccc2C1)[*:1]
C[C@@H](O)CCC(=O)N1Cc2ccccc2C1 C[C@@H](O)C[*:1] O=C(C[*:1])N1Cc2ccccc2C1
C[C@@H](O)CCC(=O)N1Cc2ccccc2C1 C[C@@H](O)[*:1] O=C(CC[*:1])N1Cc2ccccc2C1
CN(Cc1ccncc1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 c1cc(ccn1)[*:1] CN(C[*:1])C(=O)CCc1nc(no1)-c1ccc(Cl)cc1
CN(Cc1ccncc1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CN(Cc1ccncc1)C(=O)CCc1nc(no1)[*:1]
CN(Cc1ccncc1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 c1cc(ccn1)C[*:1] CN(C(=O)CCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
C[C@@H](NC(=O)NCc1cc2ccccc2o1)[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCc1cc2ccccc2o1)[C@@H](O)[*:1]
COc1cccc(N2CCN(C(=O)[C@H]3CCCN(c4nc(Cl)nc5[nH]cnc45)C3)CC2)c1 COc1cccc(c1)[*:1] O=C([C@H]1CCCN(C1)c1nc(Cl)nc2[nH]cnc12)N1CCN(CC1)[*:1]
C#CCNC(=O)c1ccccc1NCc1ccccc1[N+](=O)[O-] C#CC[*:1] O=C(N[*:1])c1ccccc1NCc1ccccc1[N+](=O)[O-]
C#CCNC(=O)c1ccccc1NCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C#CCNC(=O)c1ccccc1NCc1ccccc1[*:1]
C#CCNC(=O)c1ccccc1NCc1ccccc1[N+](=O)[O-] C#CCNC(=O)[*:1] O=[N+]([O-])c1ccccc1CNc1ccccc1[*:1]
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)c1ccc(cc1)[*:1] C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+](CC1)C[*:1]
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC1(C)C C[C@@H]1C[C@@H]1[*:1] CC1(C)CCC[C@H]1[NH2+][*:1]
CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCCC2)cc1 CCN(CC)C(=O)[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])[NH+]1CCCC1
O=C(Nc1nnn[n-]1)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] O=C(Nc1nnn[n-]1)c1ccc(nc1)[*:1]
O=C(Nc1nnn[n-]1)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] O=C(Nc1nnn[n-]1)c1ccc(nc1)O[*:1]
O=C(Nc1nnn[n-]1)c1ccc(OCC(F)F)nc1 FC(F)[*:1] O=C(Nc1nnn[n-]1)c1ccc(nc1)OC[*:1]
CN(Cc1noc(-c2ccccc2)n1)C(=O)c1nc2ccc(F)cc2[nH]1 c1ccc(cc1)[*:1] CN(Cc1noc(n1)[*:1])C(=O)c1nc2ccc(F)cc2[nH]1
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1C[C@@H](C)c2ccccc21 O=C(N[*:1])c1ccco1 Cc1cc(sc1C(=O)N1C[C@@H](C)c2ccccc21)[*:1]
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1C[C@@H](C)c2ccccc21 c1coc(c1)[*:1] Cc1cc(NC(=O)[*:1])sc1C(=O)N1C[C@@H](C)c2ccccc21
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CSc1nnnn1C c1ccc(cc1)[*:1] CC[C@@H]([C@@H]1CCCN1C(=O)CSc1nnnn1C)[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CSc1nnnn1C Cn1nnnc1[*:1] CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CS[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CSc1nnnn1C Cn1nnnc1SC[*:1] CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CSc1nnnn1C Cn1nnnc1S[*:1] CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[*:1]
CC(C)([C@@H](O)Cc1csc2ccccc12)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)([C@@H](O)Cc1csc2ccccc12)[*:1]
Cc1ccc(S(=O)(=O)OC2CN(C(C)(C)C)C2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)S(=O)(=O)OC1CN(C1)[*:1]
ClCc1cc(Cl)ccc1OCc1nccs1 c1csc(n1)[*:1] ClCc1cc(Cl)ccc1OC[*:1]
CCOc1ccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)cn1 CCO[*:1] O=C(Nc1cccc(c1)-c1cn[nH]c1)c1ccc(nc1)[*:1]
CCOc1ccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)cn1 c1n[nH]cc1[*:1] CCOc1ccc(cn1)C(=O)Nc1cccc(c1)[*:1]
CCCCC[NH2+][C@](C)(C(=O)[O-])C(F)(F)F CCC[*:1] C[C@@]([NH2+]CC[*:1])(C(=O)[O-])C(F)(F)F
CCCCC[NH2+][C@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] CCCCC[NH2+][C@](C)(C(F)(F)F)[*:1]
CCCCC[NH2+][C@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] CCCCC[NH2+][C@](C)(C(=O)[O-])[*:1]
CCCCC[NH2+][C@](C)(C(=O)[O-])C(F)(F)F CCCC[*:1] C[C@@]([NH2+]C[*:1])(C(=O)[O-])C(F)(F)F
CCCCC[NH2+][C@](C)(C(=O)[O-])C(F)(F)F CCCCC[*:1] C[C@@]([NH2+][*:1])(C(=O)[O-])C(F)(F)F
CCNC(=O)COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1OCC CCO[*:1] CCNC(=O)COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1[*:1]
CCNC(=O)COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1OCC CCNC(=O)C[*:1] CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1O[*:1]
CCNC(=O)COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1OCC CCNC(=O)CO[*:1] CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1[*:1]
CCNC(=O)COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1OCC CCNC(=O)[*:1] CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OC[*:1]
CC(C)(C)CC(=O)NCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CC(C)(C)CC(=O)NCC(=O)Nc1ccc(cc1)O[*:1]
CC(C)(C)CC(=O)NCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 CC(C)(C)C[*:1] O=C(CNC(=O)[*:1])Nc1ccc(cc1)Oc1ccccc1Cl
CC(C)(C)CC(=O)NCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 Clc1ccccc1O[*:1] CC(C)(C)CC(=O)NCC(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)CC(=O)NCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 CC(C)(C)[*:1] O=C(C[*:1])NCC(=O)Nc1ccc(cc1)Oc1ccccc1Cl
CC(C)(C)CC(=O)NCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 CC(C)(C)CC(=O)N[*:1] O=C(C[*:1])Nc1ccc(cc1)Oc1ccccc1Cl
CCCCc1nc(C[NH2+][C@@]2(CO)CCc3ccccc32)no1 CCCC[*:1] OC[C@@]1(CCc2ccccc21)[NH2+]Cc1noc(n1)[*:1]
CCCCc1nc(C[NH2+][C@@]2(CO)CCc3ccccc32)no1 CCC[*:1] OC[C@@]1(CCc2ccccc21)[NH2+]Cc1noc(C[*:1])n1
CCC(C)(C)NC(=O)[C@@H](Sc1nnc2n1CCCCC2)C(C)C CCC(C)(C)[*:1] CC(C)[C@H](Sc1nnc2CCCCCn21)C(=O)N[*:1]
CCC(C)(C)NC(=O)[C@@H](Sc1nnc2n1CCCCC2)C(C)C CC(C)[*:1] CCC(C)(C)NC(=O)[C@@H](Sc1nnc2CCCCCn21)[*:1]
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)Nc1ccc2c(c1)OCO2 Brc1ccc(s1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1ccc2OCOc2c1
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(Br)s1)N[*:1]
C[C@H]1Cc2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc2N1S(C)(=O)=O C1CC1[*:1] C[C@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)Nc1cccc(c1)C(=O)N[*:1]
C[C@H]1Cc2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc2N1S(C)(=O)=O O=C(NC1CC1)[*:1] C[C@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)Nc1cccc(c1)[*:1]
Cc1c(C(=O)NNc2ccccc2Cl)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NNc1ccccc1Cl
Cc1cccc(C(=O)/N=C(/NC[C@@H]2CCCO2)Nc2ccc(C)c(C)c2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1C)N/C(=N\C(=O)[*:1])NC[C@@H]1CCCO1
Cc1cccc(C(=O)/N=C(/NC[C@@H]2CCCO2)Nc2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] Cc1cccc(c1)C(=O)/N=C(/NC[C@@H]1CCCO1)N[*:1]
C/[NH+]=C(/NCCc1ccccn1)NCc1cc(Cl)c2c(c1)OCCO2 c1ccc(nc1)[*:1] C/[NH+]=C(/NCC[*:1])NCc1cc(Cl)c2OCCOc2c1
C/[NH+]=C(/NCCc1ccccn1)NCc1cc(Cl)c2c(c1)OCCO2 c1ccc(CC[*:1])nc1 C/[NH+]=C(\NCc1cc(Cl)c2OCCOc2c1)N[*:1]
C/[NH+]=C(/NCCc1ccccn1)NCc1cc(Cl)c2c(c1)OCCO2 c1ccc(C[*:1])nc1 C/[NH+]=C(\NCc1cc(Cl)c2OCCOc2c1)NC[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)NC[C@@](C)(O)c1ccccc1 c1ccc(cc1)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)NC[C@@](C)(O)[*:1]
CNC(=O)c1cccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)n1 CNC(=O)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(n1)[*:1]
CNC(=O)c1cccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)n1 COc1ccc(cc1)[*:1] CNC(=O)c1cccc(n1)N1CCN(CC1)C(=O)[*:1]
Cc1ccccc1OCC(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 Cc1ccccc1O[*:1] CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)C[*:1]
Cc1ccccc1OCC(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 Cc1ccccc1[*:1] CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CO[*:1]
O=C1[C@H]2CCCN2C(=O)N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C1[C@H]2CCCN2C(=O)N1CCN1CCN(CC1)c1cccc(c1)[*:1]
O=C(NCC[C@@H](O)c1ccco1)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCC[C@@H](O)c1ccco1)C1(CC1)[*:1]
O=C(NCC[C@@H](O)c1ccco1)C1(c2ccc(F)cc2)CC1 c1coc(c1)[*:1] O=C(NCC[C@@H](O)[*:1])C1(CC1)c1ccc(F)cc1
O=C(NCC[C@@H](O)c1ccco1)C1(c2ccc(F)cc2)CC1 O[C@@H](c1ccco1)[*:1] O=C(NCC[*:1])C1(CC1)c1ccc(F)cc1
O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(C[NH+]2CCCC2)c1 c1ccc(cc1)[*:1] O=C(N[C@H]1C[C@H]1[*:1])c1cccc(c1)C[NH+]1CCCC1
CC[C@@H](C(=O)NC)n1cnc(-c2ccccc2)c1-c1ccc(C(C)=O)cc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)NC)n1cnc(c1-c1ccc(cc1)C(C)=O)[*:1]
CC[C@@H](C(=O)NC)n1cnc(-c2ccccc2)c1-c1ccc(C(C)=O)cc1 CC(=O)[*:1] CC[C@@H](C(=O)NC)n1cnc(-c2ccccc2)c1-c1ccc(cc1)[*:1]
CC[C@@H](C(=O)NC)n1cnc(-c2ccccc2)c1-c1ccc(C(C)=O)cc1 CC(=O)c1ccc(cc1)[*:1] CC[C@@H](C(=O)NC)n1cnc(-c2ccccc2)c1[*:1]
CC[C@@H](C(=O)NC)n1cnc(-c2ccccc2)c1-c1ccc(C(C)=O)cc1 CNC(=O)[*:1] CC[C@@H](n1cnc(-c2ccccc2)c1-c1ccc(cc1)C(C)=O)[*:1]
CCn1c(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)nc2ccccc21 CCn1c(nc2ccccc21)[*:1] O=C(CS[*:1])NN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
CCn1c(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(nc2ccccc21)SCC(=O)NN1C(=O)NC(C1=O)(c1ccccc1)[*:1]
NC(=O)c1csc(N2CCC3(CC[NH2+]CC3)C2)n1 NC(=O)[*:1] c1sc(nc1[*:1])N1CCC2(CC[NH2+]CC2)C1
Cc1ccc(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)s1 Cc1ccc(s1)[*:1] O=C(C(=O)N1CCN(CC1)C[*:1])N1CCCC1
Cc1ccc(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)s1 Cc1ccc(C[*:1])s1 O=C(C(=O)N1CCN(CC1)[*:1])N1CCCC1
O=C([O-])c1ccc(NCCCO)c(F)c1F O=C([O-])[*:1] OCCCNc1ccc(c(F)c1F)[*:1]
O=C([O-])c1ccc(NCCCO)c(F)c1F OCCCN[*:1] O=C([O-])c1ccc(c(F)c1F)[*:1]
O=C([O-])c1ccc(NCCCO)c(F)c1F OCCC[*:1] O=C([O-])c1ccc(N[*:1])c(F)c1F
O=C([O-])c1ccc(NCCCO)c(F)c1F OCC[*:1] O=C([O-])c1ccc(NC[*:1])c(F)c1F
CCNc1cccc(Cn2ccccc2=O)[nH+]1 CCN[*:1] O=c1ccccn1Cc1cccc([nH+]1)[*:1]
COc1ccc(/C=C/C(=O)N(Cc2ccco2)c2ccccn2)c(OC)c1 c1coc(c1)C[*:1] COc1ccc(/C=C/C(=O)N(c2ccccn2)[*:1])c(c1)OC
COc1ccc(/C=C/C(=O)N(Cc2ccco2)c2ccccn2)c(OC)c1 c1ccc(nc1)[*:1] COc1ccc(/C=C/C(=O)N(Cc2ccco2)[*:1])c(c1)OC
COc1ccc(/C=C/C(=O)N(Cc2ccco2)c2ccccn2)c(OC)c1 c1coc(c1)[*:1] COc1ccc(/C=C/C(=O)N(C[*:1])c2ccccn2)c(c1)OC
COc1ccc(NC(=O)CN2CCN(c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)cc1OC COc1ccc(cc1OC)[*:1] Cc1nn(c(C)c1N1CCN(CC1)CC(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
COC(=O)[C@@]1(NC(=O)[C@H](C)n2nc(C)cc2C)CCOC1 COC(=O)[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)N[C@]1(CCOC1)[*:1]
COC(=O)[C@@]1(NC(=O)[C@H](C)n2nc(C)cc2C)CCOC1 Cc1cc(C)n(n1)[*:1] COC(=O)[C@]1(CCOC1)NC(=O)[C@H](C)[*:1]
CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)N1CCC(C)CC1 Cc1ccc(o1)[*:1] CCOC(=O)N1[C@H](CC[C@@H]1C(=O)N1CCC(C)CC1)[*:1]
O=C([O-])CCc1cn(C2CCN(c3ncccc3Cl)CC2)nn1 O=C([O-])CC[*:1] Clc1cccnc1N1CCC(CC1)n1cc(nn1)[*:1]
O=C([O-])CCc1cn(C2CCN(c3ncccc3Cl)CC2)nn1 Clc1cccnc1[*:1] O=C([O-])CCc1cn(nn1)C1CCN(CC1)[*:1]
O=C([O-])CCc1cn(C2CCN(c3ncccc3Cl)CC2)nn1 O=C([O-])[*:1] Clc1cccnc1N1CCC(CC1)n1cc(CC[*:1])nn1
O=C([O-])CCc1cn(C2CCN(c3ncccc3Cl)CC2)nn1 O=C([O-])C[*:1] Clc1cccnc1N1CCC(CC1)n1cc(C[*:1])nn1
COCC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H](C)C1)C(C)C COCC(=O)N[*:1] CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H](C)C1)[*:1]
COCC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H](C)C1)C(C)C COC[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N[C@@H]1CCC[C@H](C)C1
COCC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H](C)C1)C(C)C CC(C)[*:1] COCC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H](C)C1)[*:1]
C/C(=C/c1cccc(Cl)c1)C(=O)N1CCCC[C@@H]1CCO OCC[*:1] C/C(=C/c1cccc(Cl)c1)C(=O)N1CCCC[C@H]1[*:1]
C/C(=C/c1cccc(Cl)c1)C(=O)N1CCCC[C@@H]1CCO Clc1cccc(c1)[*:1] CC(=C[*:1])C(=O)N1CCCC[C@@H]1CCO
COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] COc1cn(nc1C(=O)OC[*:1])-c1ccccc1
COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)N1CCCCC1 c1ccc(cc1)[*:1] COc1cn(nc1C(=O)OCC(=O)N1CCCCC1)[*:1]
CCC1(CNC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)CC1 Cn1cc(cn1)C[*:1] CCC1(CC1)CNC(=O)N1CC[C@@H](C1)[*:1]
CCC1(CNC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)CC1 CCC1(CC1)C[*:1] Cn1cc(cn1)C[C@@H]1CCN(C1)C(=O)N[*:1]
CCC1(CNC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)CC1 CCC1(CC1)[*:1] Cn1cc(cn1)C[C@@H]1CCN(C1)C(=O)NC[*:1]
CCC1(CNC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)CC1 Cn1cc(cn1)[*:1] CCC1(CC1)CNC(=O)N1CC[C@H](C1)C[*:1]
CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCC)nn32)cc1 CCS[*:1] CCOc1ccc(cc1)[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nc(nn21)[*:1]
CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCC)nn32)cc1 CCOc1ccc(cc1)[*:1] CCSc1nc2NC3CC(C)(C)CC(=O)C=3[C@@H](n2n1)[*:1]
CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCC)nn32)cc1 CCO[*:1] CCSc1nc2NC3CC(C)(C)CC(=O)C=3[C@H](c3ccc(cc3)[*:1])n2n1
Cn1c(=O)c2[nH]c(NCc3ccc(Cl)cc3)nc2n(C)c1=O Clc1ccc(cc1)[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)NC[*:1]
CCOc1ccccc1NC(=O)c1ccc(CNc2c(O)c(=O)c2=[N+]2CCC(C)CC2)cc1 CCO[*:1] CC1CC[N+](CC1)=c1c(NCc2ccc(cc2)C(=O)Nc2ccccc2[*:1])c(O)c1=O
CCOc1ccccc1NC(=O)c1ccc(CNc2c(O)c(=O)c2=[N+]2CCC(C)CC2)cc1 CCOc1ccccc1[*:1] CC1CC[N+](CC1)=c1c(NCc2ccc(cc2)C(=O)N[*:1])c(O)c1=O
CC(C)(C)C1CCC(c2cc(NC(=O)c3ccc([O-])nn3)[nH]n2)CC1 [O-]c1ccc(nn1)[*:1] CC(C)(C)C1CCC(CC1)c1cc(NC(=O)[*:1])[nH]n1
CC(C)(C)C1CCC(c2cc(NC(=O)c3ccc([O-])nn3)[nH]n2)CC1 CC(C)(C)[*:1] O=C(Nc1cc(n[nH]1)C1CCC(CC1)[*:1])c1ccc([O-])nn1
CC[NH2+][C@@H](CC[C@H]1CCCO1)c1cc(C)c(Br)s1 C1CO[C@H](C1)[*:1] CC[NH2+][C@@H](CC[*:1])c1cc(C)c(Br)s1
CC[NH2+][C@@H](CC[C@H]1CCCO1)c1cc(C)c(Br)s1 C1CO[C@H](C1)C[*:1] CC[NH2+][C@@H](C[*:1])c1cc(C)c(Br)s1
Cc1nc(-c2ccccn2)sc1C(=O)NCCc1nc2cc(Cl)ccc2[nH]1 c1ccc(nc1)[*:1] Cc1nc(sc1C(=O)NCCc1nc2cc(Cl)ccc2[nH]1)[*:1]
CCc1nn(C)c(OC)c1CN1CCN(C(=O)CCC2CCCCC2)CC1 C1CCC(CC1)[*:1] CCc1nn(C)c(OC)c1CN1CCN(CC1)C(=O)CC[*:1]
CCc1nn(C)c(OC)c1CN1CCN(C(=O)CCC2CCCCC2)CC1 C1CCC(CC1)C[*:1] CCc1nn(C)c(OC)c1CN1CCN(CC1)C(=O)C[*:1]
CCc1nn(C)c(OC)c1CN1CCN(C(=O)CCC2CCCCC2)CC1 C1CCC(CC1)CC[*:1] CCc1nn(C)c(OC)c1CN1CCN(CC1)C(=O)[*:1]
CC1(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 CC1(CC1)[*:1] O=C1C[C@H](CN1Cc1ccccc1C(F)(F)F)NC(=O)[*:1]
CC1(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 CC1(CC1)C(=O)N[*:1] O=C1C[C@H](CN1Cc1ccccc1C(F)(F)F)[*:1]
CC1(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 FC(F)(F)[*:1] CC1(CC1)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2[*:1])C1
CC[C@@H]1CCCC[C@@H]1OCC[C@@H]1CCC[C@]1([NH2+]C)C(=O)[O-] O=C([O-])[*:1] CC[C@@H]1CCCC[C@@H]1OCC[C@@H]1CCC[C@@]1([NH2+]C)[*:1]
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl CC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)c1ccc(cc1Cl)[N+](=O)[O-]
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(cc1Cl)[*:1]
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl CC[C@H](C)NC(=O)[*:1] O=C(c1ccc(cc1Cl)[N+](=O)[O-])N1CSC[C@@H]1[*:1]
CCOC(=O)[C@@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@H](C(N)=O)[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCOC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H](C(N)=O)[C@H]1[*:1])C(N)=O
CCOC(=O)[C@@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@H](C(N)=O)[C@@H]1c1cccc(Cl)c1 NC(=O)[*:1] CCOC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H](C(N)=O)[C@@H]1c1cccc(Cl)c1)[*:1]
CCOC(=O)[C@@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@H](C(N)=O)[C@@H]1c1cccc(Cl)c1 CCOC(=O)[*:1] N#C[C@]1([C@@H]2C=CC(=CN2[C@H](C(N)=O)[C@@H]1c1cccc(Cl)c1)C(N)=O)[*:1]
CCOC(=O)[C@@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@H](C(N)=O)[C@@H]1c1cccc(Cl)c1 NC(=O)[*:1] CCOC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1cccc(Cl)c1)[*:1])C(N)=O
Cc1nc(-c2ccccn2)cc(N2CCC[C@H](C(=O)[O-])C2)n1 c1ccc(nc1)[*:1] Cc1nc(cc(n1)[*:1])N1CCC[C@@H](C1)C(=O)[O-]
Cc1nc(-c2ccccn2)cc(N2CCC[C@H](C(=O)[O-])C2)n1 O=C([O-])[*:1] Cc1nc(cc(n1)N1CCC[C@H](C1)[*:1])-c1ccccn1
CCOc1ccc(F)c(C(=O)N[C@@](C)(C#N)C(C)C)c1F CCO[*:1] CC(C)[C@](C)(C#N)NC(=O)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)N[C@@](C)(C#N)C(C)C)c1F CC(C)[*:1] CCOc1ccc(F)c(C(=O)N[C@@](C)(C#N)[*:1])c1F
C#C[C@@](C)(CC)NC(=O)Cn1nnc(-c2ccccc2C)n1 Cc1ccccc1[*:1] C#C[C@@](C)(CC)NC(=O)Cn1nnc(n1)[*:1]
Cc1cc(C)n(-c2ccc(CSc3nnc(C4CCCCC4)o3)cc2)n1 Cc1cc(C)n(n1)[*:1] c1cc(ccc1CSc1nnc(o1)C1CCCCC1)[*:1]
Cc1cc(C)n(-c2ccc(CSc3nnc(C4CCCCC4)o3)cc2)n1 C1CCC(CC1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)CSc1nnc(o1)[*:1]
Cc1ncsc1CNC(=O)N[C@@H]1CCCOc2c1ccc1ccccc21 Cc1ncsc1C[*:1] O=C(N[C@@H]1CCCOc2c1ccc1ccccc21)N[*:1]
Cc1ncsc1CNC(=O)N[C@@H]1CCCOc2c1ccc1ccccc21 Cc1ncsc1[*:1] O=C(NC[*:1])N[C@@H]1CCCOc2c1ccc1ccccc21
COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1ccccc1
CCN(CC)S(=O)(=O)N1CCC[C@H]1CC(C)=O CC(=O)[*:1] CCN(CC)S(=O)(=O)N1CCC[C@H]1C[*:1]
CCN(CC)S(=O)(=O)N1CCC[C@H]1CC(C)=O CC(=O)C[*:1] CCN(CC)S(=O)(=O)N1CCC[C@@H]1[*:1]
CCCc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)n(C)n1 CCCc1cc(n(C)n1)[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)N[*:1]
CCCc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)n(C)n1 C1CC1[*:1] CCCc1cc(NC(=O)c2cc(nc3c2cnn3C(C)C)[*:1])n(C)n1
CCCc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)n(C)n1 CC(C)[*:1] CCCc1cc(NC(=O)c2cc(nc3c2cnn3[*:1])C2CC2)n(C)n1
CCCc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)n(C)n1 CCC[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)Nc1cc(nn1C)[*:1]
CC[C@@H](O)CC[C@@]1(C)CCC(C)=C[C@@H]1C CC[C@@H](O)[*:1] CC1=C[C@H](C)[C@](C)(CC1)CC[*:1]
CC[C@@H](O)CC[C@@]1(C)CCC(C)=C[C@@H]1C CC[C@@H](O)C[*:1] CC1=C[C@H](C)[C@](C)(CC1)C[*:1]
Cc1cccc2s/c(=N/C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)n(C)c12 c1csc(c1)[*:1] Cc1cccc2s/c(=N/C(=O)[C@H]3CCCN3S(=O)(=O)[*:1])n(C)c12
Cc1cccc(-c2noc(CS[C@H](C)[C@H](C)O)n2)c1 C[C@H](O)[*:1] Cc1cccc(c1)-c1noc(CS[C@H](C)[*:1])n1
CC(=O)N(C)c1ccc(NC(=O)CCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 CC(=O)N(C)[*:1] CC(=O)N(C)c1ccc(cc1)NC(=O)CCC(=O)Nc1ccc(cc1)[*:1]
CCCN(C)[C@H](C[NH3+])c1ccc(Cl)cc1Cl CCC[*:1] CN([C@H](C[NH3+])c1ccc(Cl)cc1Cl)[*:1]
CCCN(C)[C@H](C[NH3+])c1ccc(Cl)cc1Cl CCCN(C)[*:1] [NH3+]C[C@H](c1ccc(Cl)cc1Cl)[*:1]
COC(=O)c1cc(N[C@H](C)C(=O)N(C)C)cc(C)c1N CN(C)C(=O)[*:1] COC(=O)c1cc(cc(C)c1N)N[C@H](C)[*:1]
COC(=O)c1cc(N[C@H](C)C(=O)N(C)C)cc(C)c1N COC(=O)[*:1] Cc1cc(cc(c1N)[*:1])N[C@H](C)C(=O)N(C)C
Cc1ccccc1OCC(=O)Nc1ccnc2cc(C(F)(F)F)ccc12 Cc1ccccc1[*:1] O=C(CO[*:1])Nc1ccnc2cc(ccc12)C(F)(F)F
Cc1ccccc1OCC(=O)Nc1ccnc2cc(C(F)(F)F)ccc12 Cc1ccccc1O[*:1] O=C(C[*:1])Nc1ccnc2cc(ccc12)C(F)(F)F
Cc1ccccc1OCC(=O)Nc1ccnc2cc(C(F)(F)F)ccc12 FC(F)(F)[*:1] Cc1ccccc1OCC(=O)Nc1ccnc2cc(ccc12)[*:1]
COc1cc(C(=O)N2CCCC[C@H]2C(C)C)cc(NC(C)=O)c1OC CC(C)[*:1] COc1cc(cc(NC(C)=O)c1OC)C(=O)N1CCCC[C@@H]1[*:1]
COc1cc(C(=O)N2CCCC[C@H]2C(C)C)cc(NC(C)=O)c1OC CC(=O)N[*:1] COc1cc(cc(c1OC)[*:1])C(=O)N1CCCC[C@H]1C(C)C
Cc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
Cc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N(CC(=O)Nc1cccc(C)c1)S(=O)(=O)[*:1]
Cc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)N(CC(=O)N[*:1])S(=O)(=O)c1ccccc1
O=C(NCC1(c2ccccc2F)CC1)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCC1(CC1)c1ccccc1F)N[C@H](CO)[*:1]
O=C(NCC1(c2ccccc2F)CC1)N[C@H](CO)c1ccc(Cl)cc1 Fc1ccccc1[*:1] O=C(NCC1(CC1)[*:1])N[C@H](CO)c1ccc(Cl)cc1
CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(C)s3)nnc12 Cc1ccc(s1)C(=O)[*:1] CCCn1c(=O)c2ccccc2n2c(nnc12)SC[*:1]
CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(C)s3)nnc12 CCC[*:1] Cc1ccc(s1)C(=O)CSc1nnc2n(c(=O)c3ccccc3n12)[*:1]
CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(C)s3)nnc12 Cc1ccc(s1)[*:1] CCCn1c(=O)c2ccccc2n2c(nnc12)SCC(=O)[*:1]
CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(C)s3)nnc12 Cc1ccc(s1)C(=O)C[*:1] CCCn1c(=O)c2ccccc2n2c(nnc12)S[*:1]
CCCN(c1ncnc(OC(C)C)c1N)C1CC1 CCC[*:1] CC(C)Oc1ncnc(c1N)N(C1CC1)[*:1]
CCCN(c1ncnc(OC(C)C)c1N)C1CC1 CC(C)[*:1] CCCN(c1ncnc(O[*:1])c1N)C1CC1
CCCN(c1ncnc(OC(C)C)c1N)C1CC1 CC(C)O[*:1] CCCN(c1ncnc(c1N)[*:1])C1CC1
CCCN(c1ncnc(OC(C)C)c1N)C1CC1 C1CC1[*:1] CCCN(c1ncnc(OC(C)C)c1N)[*:1]
CCS[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)O2)C1 CCS[*:1] O=C1CC[C@H](O1)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CCS[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)O2)C1 O=C1CC[C@H](O1)[*:1] CCS[C@@H]1CCC[C@H](C1)NC(=O)[*:1]
O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] Clc1ccccc1[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1ccc(Cl)cc1[N+](=O)[O-]
O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)cc1[*:1]
O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] C1CN(CCO1)[*:1] O=C(NC[C@@H](c1ccccc1Cl)[*:1])c1ccc(Cl)cc1[N+](=O)[O-]
COc1cc(C(F)(F)F)c(C(=O)N(C)c2ccc(Cl)cc2)cn1 Clc1ccc(cc1)[*:1] COc1cc(c(cn1)C(=O)N(C)[*:1])C(F)(F)F
COc1cc(C(F)(F)F)c(C(=O)N(C)c2ccc(Cl)cc2)cn1 FC(F)(F)[*:1] COc1cc(c(cn1)C(=O)N(C)c1ccc(Cl)cc1)[*:1]
Cc1ccc(O[C@H](C)CNC(=O)Nc2cnn(-c3ncccn3)c2)cc1 Cc1ccc(cc1)O[*:1] C[C@H](CNC(=O)Nc1cnn(c1)-c1ncccn1)[*:1]
Cc1ccc(O[C@H](C)CNC(=O)Nc2cnn(-c3ncccn3)c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)Nc1cnn(c1)-c1ncccn1)O[*:1]
Cc1ccc(O[C@H](C)CNC(=O)Nc2cnn(-c3ncccn3)c2)cc1 c1cnc(nc1)[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)Nc1cnn(c1)[*:1]
COc1ccc(Cl)cc1NC(=O)[C@@]1(CC(=O)[O-])CC(c2ccccc2Cl)=NO1 COc1ccc(Cl)cc1[*:1] O=C([O-])C[C@@]1(CC(=NO1)c1ccccc1Cl)C(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)[C@@]1(CC(=O)[O-])CC(c2ccccc2Cl)=NO1 Clc1ccccc1[*:1] COc1ccc(Cl)cc1NC(=O)[C@@]1(CC(=O)[O-])CC(=NO1)[*:1]
COc1ccc(Cl)cc1NC(=O)[C@@]1(CC(=O)[O-])CC(c2ccccc2Cl)=NO1 O=C([O-])[*:1] COc1ccc(Cl)cc1NC(=O)[C@]1(CC(=NO1)c1ccccc1Cl)C[*:1]
O=C([O-])CC1(CC(=O)NNC(=O)C2CC2)CCCCC1 O=C([O-])[*:1] O=C(CC1(CCCCC1)C[*:1])NNC(=O)C1CC1
O=C([O-])CC1(CC(=O)NNC(=O)C2CC2)CCCCC1 C1CC1[*:1] O=C([O-])CC1(CCCCC1)CC(=O)NNC(=O)[*:1]
O=C([O-])CC1(CC(=O)NNC(=O)C2CC2)CCCCC1 O=C([O-])C[*:1] O=C(CC1(CCCCC1)[*:1])NNC(=O)C1CC1
O=C(OCCCOc1ccc(F)cc1)c1cc2ccccc2oc1=O Fc1ccc(cc1)[*:1] O=C(OCCCO[*:1])c1cc2ccccc2oc1=O
O=C(OCCCOc1ccc(F)cc1)c1cc2ccccc2oc1=O Fc1ccc(cc1)O[*:1] O=C(OCCC[*:1])c1cc2ccccc2oc1=O
C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CCCN1CCOCC1 Clc1ccccc1[*:1] C[C@H]1CO[C@@H](CN1CCCN1CCOCC1)[*:1]
C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CCCN1CCOCC1 C1CN(CCO1)[*:1] C[C@H]1CO[C@H](CN1CCC[*:1])c1ccccc1Cl
C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CCCN1CCOCC1 C1CN(CCO1)C[*:1] C[C@H]1CO[C@H](CN1CC[*:1])c1ccccc1Cl
Cn1cnc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cc21 c1ccc(nc1)[*:1] Cn1cnc2ccc(cc21)NC(=O)c1cc(nc2ccccc12)[*:1]
O=C([O-])c1ccn(-c2cc(-c3ccncc3)nc(-c3ccccc3F)n2)n1 c1cc(ccn1)[*:1] O=C([O-])c1ccn(n1)-c1cc(nc(n1)-c1ccccc1F)[*:1]
O=C([O-])c1ccn(-c2cc(-c3ccncc3)nc(-c3ccccc3F)n2)n1 Fc1ccccc1[*:1] O=C([O-])c1ccn(n1)-c1cc(nc(n1)[*:1])-c1ccncc1
O=C([O-])c1ccn(-c2cc(-c3ccncc3)nc(-c3ccccc3F)n2)n1 O=C([O-])[*:1] Fc1ccccc1-c1nc(cc(n1)-n1ccc(n1)[*:1])-c1ccncc1
CC[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](Oc1ccc(Cl)c(Cl)c1)[*:1]
O=C(Nc1cc(C2CC2)n[nH]1)C1CCN(C(=O)COc2ccccc2)CC1 C1CC1[*:1] O=C(Nc1cc(n[nH]1)[*:1])C1CCN(CC1)C(=O)COc1ccccc1
O=C(Nc1cc(C2CC2)n[nH]1)C1CCN(C(=O)COc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(Nc1cc(n[nH]1)C1CC1)C1CCN(CC1)C(=O)C[*:1]
O=C(Nc1cc(C2CC2)n[nH]1)C1CCN(C(=O)COc2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=C(Nc1cc(n[nH]1)C1CC1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1cc(C2CC2)n[nH]1)C1CCN(C(=O)COc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cc(n[nH]1)C1CC1)C1CCN(CC1)C(=O)CO[*:1]
O=S1(=O)CCCN1Cc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=S1(=O)CCCN1Cc1ccc(cc1)[*:1]
CN[C@@](C)(c1ccoc1)C(F)(F)F FC(F)(F)[*:1] CN[C@@](C)(c1ccoc1)[*:1]
COc1cccc(/C=N/NC(=O)C2=NN=C(c3ccc(Br)s3)C2)c1 Brc1ccc(s1)[*:1] COc1cccc(/C=N/NC(=O)C2CC(=NN=2)[*:1])c1
COc1cccc(/C=N/NC(=O)C2=NN=C(c3ccc(Br)s3)C2)c1 COc1cccc(c1)[*:1] O=C(NN=C[*:1])C1CC(=NN=1)c1ccc(Br)s1
CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1CCCC[C@H]1C(C)C CC(C)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1CCCC[C@@H]1[*:1]
C[C@@H](c1ccccc1Cl)N1CCN(C(=O)NCc2ccncc2)CC1 Clc1ccccc1[*:1] C[C@@H](N1CCN(CC1)C(=O)NCc1ccncc1)[*:1]
C[C@@H](c1ccccc1Cl)N1CCN(C(=O)NCc2ccncc2)CC1 c1cc(ccn1)[*:1] C[C@@H](c1ccccc1Cl)N1CCN(CC1)C(=O)NC[*:1]
C[C@@H](c1ccccc1Cl)N1CCN(C(=O)NCc2ccncc2)CC1 c1cc(ccn1)C[*:1] C[C@@H](c1ccccc1Cl)N1CCN(CC1)C(=O)N[*:1]
CC(C)(C)C(=O)NC(=S)Nc1cccc(C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] CC(C)(C)C(=O)NC(=S)Nc1cccc(c1)[*:1]
CC(C)(C)C(=O)NC(=S)Nc1cccc(C(=O)N2CCCCC2)c1 CC(C)(C)[*:1] O=C(c1cccc(c1)NC(=S)NC(=O)[*:1])N1CCCCC1
CC[C@H](C)[C@H](C)N(C(=O)c1cc(S(C)(=O)=O)ccc1C)C1CC1 CS(=O)(=O)[*:1] CC[C@H](C)[C@H](C)N(C(=O)c1cc(ccc1C)[*:1])C1CC1
CC[C@H](C)[C@H](C)N(C(=O)c1cc(S(C)(=O)=O)ccc1C)C1CC1 C1CC1[*:1] CC[C@H](C)[C@H](C)N(C(=O)c1cc(ccc1C)S(C)(=O)=O)[*:1]
CC[C@H](C)[C@H](C)N(C(=O)c1cc(S(C)(=O)=O)ccc1C)C1CC1 CC[C@H](C)[*:1] Cc1ccc(cc1C(=O)N(C1CC1)[C@@H](C)[*:1])S(C)(=O)=O
CN(CC[NH+]1CCCC1)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] CN(CC[NH+]1CCCC1)C(=O)c1cccc(c1)C(=O)O[*:1]
CN(CC[NH+]1CCCC1)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)OC(=O)[*:1] CN(CC[NH+]1CCCC1)C(=O)c1cccc(c1)[*:1]
CCC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCn3nc(CC)nc32)cc1 CCC(=O)N[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)Nc1ccc(cc1)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2F)c1 COc1cccc(c1)[*:1] COc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccc1F
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2F)c1 COc1ccc2nc(sc2c1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1F)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2F)c1 COc1cccc(c1)C(=O)[*:1] COc1ccc2nc(sc2c1)N1C(=O)C([O-])=C([C@@H]1c1ccccc1F)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2F)c1 Fc1ccccc1[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(c2nc3ccc(cc3s2)OC)[C@@H]1[*:1]
COc1ccc(C[NH2+][C@H](c2noc(C)n2)c2ccccc2OC)cc1F COc1ccccc1[*:1] COc1ccc(cc1F)C[NH2+][C@H](c1noc(C)n1)[*:1]
CC(=O)N1N/C(=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2[O-])C[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N1N/C(C[C@H]1[*:1])=C1\C(=O)N(C(=O)N=C1[O-])c1ccc(Cl)cc1
CC(=O)N1N/C(=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2[O-])C[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N1N/C(C[C@@H]1c1ccc(Cl)cc1)=C1\C(=O)N(C(=O)N=C1[O-])[*:1]
Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)N[C@@H](C)c1ccccc1 Clc1cccc(c1)CS[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[C@@H](C)c1ccccc1)[*:1]
Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)N[C@@H](C)c1ccccc1 Clc1cccc(c1)C[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[C@@H](C)c1ccccc1)S[*:1]
Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[C@@H](C)[*:1])SCc1cccc(Cl)c1
Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)N[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[*:1])SCc1cccc(Cl)c1
Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)N[C@@H](C)c1ccccc1 Clc1cccc(c1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[C@@H](C)c1ccccc1)SC[*:1]
CC(C)c1nn(C)cc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 Fc1ccc(cc1)[*:1] CC(C)c1nn(C)cc1CN1CCC[C@@H](C1)c1nc(no1)[*:1]
CC(C)c1nn(C)cc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 CC(C)[*:1] Cn1cc(CN2CCC[C@@H](C2)c2nc(no2)-c2ccc(F)cc2)c(n1)[*:1]
CC(C)c1nn(C)cc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 CC(C)c1nn(C)cc1[*:1] Fc1ccc(cc1)-c1noc(n1)[C@H]1CCCN(C1)C[*:1]
CSc1ccc(NC(=O)[C@H](C)SCc2ncc(-c3cccs3)o2)cc1 c1csc(c1)[*:1] CSc1ccc(cc1)NC(=O)[C@H](C)SCc1ncc(o1)[*:1]
CSc1ccc(NC(=O)[C@H](C)SCc2ncc(-c3cccs3)o2)cc1 CSc1ccc(cc1)[*:1] C[C@H](SCc1ncc(o1)-c1cccs1)C(=O)N[*:1]
CCCn1c(C)nnc1Sc1nc2ccc([N+](=O)[O-])cc2s1 O=[N+]([O-])[*:1] CCCn1c(C)nnc1Sc1nc2ccc(cc2s1)[*:1]
CCCn1c(C)nnc1Sc1nc2ccc([N+](=O)[O-])cc2s1 CCC[*:1] Cc1nnc(Sc2nc3ccc(cc3s2)[N+](=O)[O-])n1[*:1]
COC[C@H](NC(=O)CC1(O)CCCC1)c1ccc(F)c(F)c1 COC[*:1] O=C(CC1(O)CCCC1)N[C@H](c1ccc(F)c(F)c1)[*:1]
COC[C@H](NC(=O)CC1(O)CCCC1)c1ccc(F)c(F)c1 OC1(CCCC1)C[*:1] COC[C@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)CC1(O)CCCC1)c1ccc(F)c(F)c1 OC1(CCCC1)[*:1] COC[C@H](NC(=O)C[*:1])c1ccc(F)c(F)c1
C[C@@H](Cc1ccc2ccccc2n1)Sc1nncn1C(C)(C)C CC(C)(C)[*:1] C[C@@H](Cc1ccc2ccccc2n1)Sc1nncn1[*:1]
COc1ccc(Cl)c(NC(=O)C(=O)NCc2cnn(-c3ccccc3)c2)c1 c1ccc(cc1)[*:1] COc1ccc(Cl)c(c1)NC(=O)C(=O)NCc1cnn(c1)[*:1]
COc1ccc(Cl)c(NC(=O)C(=O)NCc2cnn(-c3ccccc3)c2)c1 COc1ccc(Cl)c(c1)[*:1] O=C(NCc1cnn(c1)-c1ccccc1)C(=O)N[*:1]
CCO[C@@H]1C[C@H](NC(=O)c2cc(C#N)cn2C)C12CCCC2 CCO[*:1] Cn1cc(C#N)cc1C(=O)N[C@H]1C[C@H](C12CCCC2)[*:1]
C[C@@H](CC(=O)NC[C@H]1CCCCO1)Cc1ccc(Cl)cc1 C1CC[C@H](C[*:1])OC1 C[C@@H](CC(=O)N[*:1])Cc1ccc(Cl)cc1
C[C@@H](CC(=O)NC[C@H]1CCCCO1)Cc1ccc(Cl)cc1 C1CC[C@@H](OC1)[*:1] C[C@@H](CC(=O)NC[*:1])Cc1ccc(Cl)cc1
C[C@@H](CC(=O)NC[C@H]1CCCCO1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)NC[C@H]1CCCCO1)C[*:1]
C=CCNC(=O)COc1ccc(C)nc1C[C@H](C)[NH3+] C=CCNC(=O)[*:1] Cc1ccc(OC[*:1])c(C[C@H](C)[NH3+])n1
C=CCNC(=O)COc1ccc(C)nc1C[C@H](C)[NH3+] C=CC[*:1] Cc1ccc(OCC(=O)N[*:1])c(C[C@H](C)[NH3+])n1
C=CCN1C(=O)N[C@@H](c2ccc(C)s2)C(C(=O)OC)=C1C COC(=O)[*:1] C=CCN1C(=O)N[C@H](C(=C1C)[*:1])c1ccc(C)s1
C=CCN1C(=O)N[C@@H](c2ccc(C)s2)C(C(=O)OC)=C1C Cc1ccc(s1)[*:1] C=CCN1C(=O)N[C@@H](C(C(=O)OC)=C1C)[*:1]
C=CCN1C(=O)N[C@@H](c2ccc(C)s2)C(C(=O)OC)=C1C C=CC[*:1] COC(=O)C1=C(C)N(C(=O)N[C@H]1c1ccc(C)s1)[*:1]
Cc1c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC(CC1)c1nc2ccccc2[nH]1
O=C(CNc1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)N[*:1] O=C(C[*:1])NNC(=O)c1cccc(c1)[N+](=O)[O-]
O=C(CNc1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CNc1ccccc1)NNC(=O)c1cccc(c1)[*:1]
O=C(CNc1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(CN[*:1])NNC(=O)c1cccc(c1)[N+](=O)[O-]
CCc1cc(=O)[nH]c2cc(NC(=O)c3cnn(-c4ccccc4)n3)ccc12 c1ccc(cc1)[*:1] CCc1cc(=O)[nH]c2cc(ccc12)NC(=O)c1cnn(n1)[*:1]
Cc1cccc(N2C(=O)[C@@H]3[C@H](CC4=c5ccccc5=[NH+]C4)N[C@@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)c1 Cc1cccc(c1)[*:1] Cc1ccc2NC(=O)[C@@]3(N[C@@H](CC4C[NH+]=c5ccccc5=4)[C@H]4C(=O)N(C(=O)[C@H]43)[*:1])c2c1
C=CCC[C@H](CCC(F)(F)F)[NH2+]C C=CCC[*:1] C[NH2+][C@@H](CCC(F)(F)F)[*:1]
C=CCC[C@H](CCC(F)(F)F)[NH2+]C FC(F)(F)[*:1] C=CCC[C@H](CC[*:1])[NH2+]C
C=CCC[C@H](CCC(F)(F)F)[NH2+]C C=CC[*:1] C[NH2+][C@@H](CCC(F)(F)F)C[*:1]
CCCC[C@H]1CN(c2cccc(C)c2)C(=O)CN1C(=O)CN1CCOC1=O Cc1cccc(c1)[*:1] CCCC[C@H]1CN(C(=O)CN1C(=O)CN1CCOC1=O)[*:1]
CCCC[C@H]1CN(c2cccc(C)c2)C(=O)CN1C(=O)CN1CCOC1=O O=C1OCCN1C[*:1] CCCC[C@H]1CN(C(=O)CN1C(=O)[*:1])c1cccc(C)c1
CCCC[C@H]1CN(c2cccc(C)c2)C(=O)CN1C(=O)CN1CCOC1=O O=C1OCCN1[*:1] CCCC[C@H]1CN(C(=O)CN1C(=O)C[*:1])c1cccc(C)c1
CCCC[C@H]1CN(c2cccc(C)c2)C(=O)CN1C(=O)CN1CCOC1=O CCC[*:1] Cc1cccc(c1)N1C[C@H](C[*:1])N(CC1=O)C(=O)CN1CCOC1=O
CCCC[C@H]1CN(c2cccc(C)c2)C(=O)CN1C(=O)CN1CCOC1=O CCCC[*:1] Cc1cccc(c1)N1C[C@@H](N(CC1=O)C(=O)CN1CCOC1=O)[*:1]
COC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nn1C COC(=O)C[*:1] Cn1nc(cc1C(=O)N[*:1])-c1ccc(Cl)cc1
COC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nn1C COC(=O)[*:1] Cn1nc(cc1C(=O)NC[*:1])-c1ccc(Cl)cc1
COC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nn1C Clc1ccc(cc1)[*:1] COC(=O)CNC(=O)c1cc(nn1C)[*:1]
CCOCCNC(=O)N(C)[C@H](C)Cc1ccsc1 c1cc(cs1)[*:1] CCOCCNC(=O)N(C)[C@H](C)C[*:1]
CCOCCNC(=O)N(C)[C@H](C)Cc1ccsc1 CCO[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)NCC[*:1]
CCOCCNC(=O)N(C)[C@H](C)Cc1ccsc1 CCOC[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)NC[*:1]
CCOCCNC(=O)N(C)[C@H](C)Cc1ccsc1 CCOCC[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)N[*:1]
CCOCCNC(=O)N(C)[C@H](C)Cc1ccsc1 c1cc(cs1)C[*:1] CCOCCNC(=O)N(C)[C@H](C)[*:1]
CCCCCCNC(=O)N(C)C CCCC[*:1] CN(C)C(=O)NCC[*:1]
CCCCCCNC(=O)N(C)C CCC[*:1] CN(C)C(=O)NCCC[*:1]
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCC(C)(C)C(N)=O CC(C)(C(N)=O)[*:1] C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NC[*:1]
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCC(C)(C)C(N)=O CC(C)(C[*:1])C(N)=O C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)N[*:1]
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCC(C)(C)C(N)=O NC(=O)[*:1] C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCC(C)(C)[*:1]
CN(Cc1nccs1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C c1csc(C[*:1])n1 CN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[*:1]
CN(Cc1nccs1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C c1csc(n1)[*:1] CN(C[*:1])C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C
CN(Cc1nccs1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C c1ccc(cc1)C[*:1] CN(Cc1nccs1)C(=O)NC[C@H]([NH+](C)C)[*:1]
CN(Cc1nccs1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] CN(Cc1nccs1)C(=O)NC[C@H](C[*:1])[NH+](C)C
C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccnc1 c1cncc(c1)[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)N[*:1]
O=C(/C=C/c1cnc2ccccc2n1)N[C@H](Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C(/C=C/c1cnc2ccccc2n1)N[C@H](C1CC1)[*:1]
O=C(/C=C/c1cnc2ccccc2n1)N[C@H](Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(/C=C/c1cnc2ccccc2n1)N[C@H](Cc1ccccc1)[*:1]
O=C(/C=C/c1cnc2ccccc2n1)N[C@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(/C=C/c1cnc2ccccc2n1)N[C@H](C[*:1])C1CC1
CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cscn2)c1 c1nc(cs1)C[*:1] CC[C@H](C#N)Oc1cccc(c1)C[NH2+][*:1]
CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cscn2)c1 CC[C@H](C#N)[*:1] c1cc(cc(c1)O[*:1])C[NH2+]Cc1cscn1
CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cscn2)c1 c1nc(cs1)[*:1] CC[C@H](C#N)Oc1cccc(c1)C[NH2+]C[*:1]
CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cscn2)c1 CC[C@H](C#N)O[*:1] c1cc(cc(c1)[*:1])C[NH2+]Cc1cscn1
O=C1CN(c2ccc(NC(=O)c3ncoc3-c3cccs3)cn2)CCN1 O=C1CN(CCN1)[*:1] O=C(Nc1ccc(nc1)[*:1])c1ncoc1-c1cccs1
O=C1CN(c2ccc(NC(=O)c3ncoc3-c3cccs3)cn2)CCN1 c1csc(c1)[*:1] O=C1CN(CCN1)c1ccc(cn1)NC(=O)c1ncoc1[*:1]
CC(C)c1ncc(CN(C)CC(F)F)s1 FC(F)C[*:1] CC(C)c1ncc(CN(C)[*:1])s1
CC(C)c1ncc(CN(C)CC(F)F)s1 FC(F)[*:1] CC(C)c1ncc(CN(C)C[*:1])s1
CC(C)c1ncc(CN(C)CC(F)F)s1 CC(C)[*:1] CN(Cc1cnc(s1)[*:1])CC(F)F
O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N1CCC(Oc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N1CCC(CC1)O[*:1]
O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N1CCC(Oc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N1CCC(CC1)[*:1]
Cc1cc(C)c2c(=O)n([C@H](C)C(=O)Nc3c(C)cccc3C)c(=O)n(C)c2n1 Cc1cccc(C)c1[*:1] Cc1cc(C)c2c(=O)n(c(=O)n(C)c2n1)[C@H](C)C(=O)N[*:1]
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 CNC(=O)Cc1ccc(cc1)[*:1] O=C(Cn1c(=O)n(c(=O)c2ccccc21)[*:1])Nc1ccc2OCOc2c1
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 CNC(=O)[*:1] O=C(Cn1c(=O)n(-c2ccc(cc2)C[*:1])c(=O)c2ccccc21)Nc1ccc2OCOc2c1
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 O=C(Nc1ccc2OCOc2c1)[*:1] CNC(=O)Cc1ccc(cc1)-n1c(=O)c2ccccc2n(C[*:1])c1=O
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 CNC(=O)C[*:1] O=C(Cn1c(=O)n(-c2ccc(cc2)[*:1])c(=O)c2ccccc21)Nc1ccc2OCOc2c1
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 c1cc2OCOc2cc1[*:1] CNC(=O)Cc1ccc(cc1)-n1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
COC(=O)c1cc(N[C@@H]2CC(=O)N(C)C2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)c1cc(ccc1[*:1])N[C@@H]1CC(=O)N(C)C1
COC(=O)c1cc(N[C@@H]2CC(=O)N(C)C2)ccc1[N+](=O)[O-] COC(=O)[*:1] CN1C[C@@H](CC1=O)Nc1ccc(c(c1)[*:1])[N+](=O)[O-]
CC1=[N+](c2c(C)cccc2C)[C@H](C)[C@H](/C=N/N=c2/[nH]c3ccccc3s2)C1 Cc1cccc(C)c1[*:1] CC1C[C@@H](/C=N/N=c2/[nH]c3ccccc3s2)[C@@H](C)[N+]=1[*:1]
CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccc(Cl)c2)s1 CCNC(=O)[*:1] O=C(Nc1sc(nc1-c1ccccc1)SC[*:1])c1cccc(Cl)c1
CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccc(Cl)c2)s1 c1ccc(cc1)[*:1] CCNC(=O)CSc1nc(c(NC(=O)c2cccc(Cl)c2)s1)[*:1]
CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccc(Cl)c2)s1 CCNC(=O)C[*:1] O=C(Nc1sc(nc1-c1ccccc1)S[*:1])c1cccc(Cl)c1
CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccc(Cl)c2)s1 CCNC(=O)CS[*:1] O=C(Nc1sc(nc1-c1ccccc1)[*:1])c1cccc(Cl)c1
CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)[*:1])s1
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)/C=C(/C)c2ccc(F)cc2)cc1 CNS(=O)(=O)[*:1] C/C(=C/C(=O)N[C@@H](C)c1ccc(cc1)[*:1])c1ccc(F)cc1
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)/C=C(/C)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)C=C(C)[*:1]
Cc1cccc(NC(=O)NNc2ccccc2F)c1C#N Fc1ccccc1[*:1] Cc1cccc(NC(=O)NN[*:1])c1C#N
CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 c1ccc(cc1)C[*:1] CCN(C(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)OC)[*:1]
CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)OC
C[NH+](C)[C@H]1CC[C@@H](NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)CNC(=O)c1ccc(cc1)O[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)C1 c1ccc(cc1)O[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)CNC(=O)c1ccc(cc1)[*:1]
Cn1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)n1 c1cc(cs1)[*:1] Cn1ccc(n1)NC(=O)Cc1csc(n1)[*:1]
Cn1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)n1 Cn1ccc(n1)[*:1] O=C(Cc1csc(n1)-c1ccsc1)N[*:1]
CCN(Cc1c(C)nn(CC)c1C)C(=O)Cn1ccc(C(=O)[O-])n1 O=C([O-])c1ccn(n1)[*:1] CCN(Cc1c(C)nn(CC)c1C)C(=O)C[*:1]
CCN(Cc1c(C)nn(CC)c1C)C(=O)Cn1ccc(C(=O)[O-])n1 O=C([O-])[*:1] CCN(Cc1c(C)nn(CC)c1C)C(=O)Cn1ccc(n1)[*:1]
COc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O Fc1ccc(c(F)c1)[*:1] COc1ccc2C(=O)/C(=C\c3csc(n3)N(C(C)=O)[*:1])CCc2c1
COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
CCN(C(=O)NCCCC(C)(C)CO)C1CC1 C1CC1[*:1] CCN(C(=O)NCCCC(C)(C)CO)[*:1]
CCN(C(=O)NCCCC(C)(C)CO)C1CC1 CC(C)(CO)[*:1] CCN(C(=O)NCCC[*:1])C1CC1
Cc1ccc(SCCCNC(=O)Nc2cc(C)on2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)NCCCS[*:1]
Cc1ccc(SCCCNC(=O)Nc2cc(C)on2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)SCCCNC(=O)N[*:1]
O=S1(=O)C[C@H]([NH2+]C2CCCC2)[C@@H](S(=O)(=O)c2cccs2)C1 C1CCC(C1)[*:1] O=S1(=O)C[C@H]([NH2+][*:1])[C@H](C1)S(=O)(=O)c1cccs1
O=S1(=O)C[C@H]([NH2+]C2CCCC2)[C@@H](S(=O)(=O)c2cccs2)C1 c1csc(c1)[*:1] O=S1(=O)C[C@H]([NH2+]C2CCCC2)[C@H](C1)S(=O)(=O)[*:1]
CCN(Cc1nonc1C)C(=O)c1ccc(COc2ccc(Cl)cc2)o1 Clc1ccc(cc1)O[*:1] CCN(Cc1nonc1C)C(=O)c1ccc(C[*:1])o1
CCN(Cc1nonc1C)C(=O)c1ccc(COc2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] CCN(Cc1nonc1C)C(=O)c1ccc(CO[*:1])o1
CCN(Cc1nonc1C)C(=O)c1ccc(COc2ccc(Cl)cc2)o1 Cc1nonc1C[*:1] CCN(C(=O)c1ccc(COc2ccc(Cl)cc2)o1)[*:1]
CCN(Cc1nonc1C)C(=O)c1ccc(COc2ccc(Cl)cc2)o1 Cc1nonc1[*:1] CCN(C[*:1])C(=O)c1ccc(COc2ccc(Cl)cc2)o1
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Cn3ccnc3)cc1)CC2)[C@@H]1CCCO1 c1cn(cn1)C[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1ccc(cc1)[*:1])[C@@H]1CCCO1
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Cn3ccnc3)cc1)CC2)[C@@H]1CCCO1 c1cn(cn1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1ccc(cc1)C[*:1])[C@@H]1CCCO1
C/C(=N\NC(=O)COc1ccc(F)cc1)c1ccc2ccccc2c1 Fc1ccc(cc1)[*:1] C/C(=N\NC(=O)CO[*:1])c1ccc2ccccc2c1
C/C(=N\NC(=O)COc1ccc(F)cc1)c1ccc2ccccc2c1 Fc1ccc(cc1)O[*:1] C/C(=N\NC(=O)C[*:1])c1ccc2ccccc2c1
CN(C(=O)[C@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)[C@H]1CCCCC[C@@H]1[NH3+])[*:1]
O=C(c1c(-n2cccc2)sc2c1CCSC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 c1ccn(c1)[*:1] O=C(c1c(sc2CSCCc21)[*:1])N1CCN(CC1)c1ccc(cn1)C(F)(F)F
O=C(c1c(-n2cccc2)sc2c1CCSC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)c1ccc(nc1)[*:1] O=C(c1c(sc2CSCCc21)-n1cccc1)N1CCN(CC1)[*:1]
O=C(c1c(-n2cccc2)sc2c1CCSC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C(c1c(sc2CSCCc21)-n1cccc1)N1CCN(CC1)c1ccc(cn1)[*:1]
CCOC(=O)c1csc(CNC(=O)c2ccn(-c3ccccc3)n2)n1 c1ccc(cc1)[*:1] CCOC(=O)c1csc(CNC(=O)c2ccn(n2)[*:1])n1
CCOC(=O)c1csc(CNC(=O)c2ccn(-c3ccccc3)n2)n1 CCOC(=O)[*:1] O=C(NCc1nc(cs1)[*:1])c1ccn(n1)-c1ccccc1
CC(C)[NH2+]C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O CC(C)[*:1] O=C1N(CCC[C@@]1(O)C[NH2+][*:1])Cc1cccc(F)c1F
N#C[C@@H]1C(SCC(N)=O)=NC(=O)C[C@H]1c1ccccc1 NC(=O)C[*:1] N#C[C@@H]1C(=NC(=O)C[C@H]1c1ccccc1)S[*:1]
N#C[C@@H]1C(SCC(N)=O)=NC(=O)C[C@H]1c1ccccc1 NC(=O)[*:1] N#C[C@@H]1C(=NC(=O)C[C@H]1c1ccccc1)SC[*:1]
N#C[C@@H]1C(SCC(N)=O)=NC(=O)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1C(=NC(=O)C[C@@H]1[*:1])SCC(N)=O
O=C(CCc1nc2c(F)cccc2[nH]1)O[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(CCc1nc2c(F)cccc2[nH]1)O[C@@H]1CCC[C@H](C1)[*:1]
CC(C)=C[C@@H]([NH3+])c1cc(F)cc(Br)c1 CC(C)=C[*:1] [NH3+][C@@H](c1cc(F)cc(Br)c1)[*:1]
COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 COc1ccc(cc1)C[*:1] O=c1cc(nc([nH]1)-c1ccccn1)[C@H]1CCCN(C1)[*:1]
COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 COc1ccc(cc1)[*:1] O=c1cc(nc([nH]1)-c1ccccn1)[C@H]1CCCN(C1)C[*:1]
COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)CN1CCC[C@@H](C1)c1cc(=O)[nH]c(n1)[*:1]
CCc1nn(C)cc1CNC(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)N[C@@H]1CCC[C@H]1[*:1]
CCc1nn(C)cc1CNC(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 CCc1nn(C)cc1[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@@H]1c1ccc(F)cc1
CCn1c(CN2CCCCCC2=O)nnc1Sc1ncnc2sc(C)c(C)c12 O=C1CCCCCN1C[*:1] CCn1c(nnc1[*:1])Sc1ncnc2sc(C)c(C)c12
CCn1c(CN2CCCCCC2=O)nnc1Sc1ncnc2sc(C)c(C)c12 O=C1CCCCCN1[*:1] CCn1c(C[*:1])nnc1Sc1ncnc2sc(C)c(C)c12
CCN(Cc1csc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 O=[N+]([O-])c1cc(cs1)[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C[*:1]
CCN(Cc1csc([N+](=O)[O-])c1)Cc1nc2ccccc2c(=O)[nH]1 O=[N+]([O-])[*:1] CCN(Cc1csc(c1)[*:1])Cc1nc2ccccc2c(=O)[nH]1
CC(=O)CCCOC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 CC(=O)[*:1] C[C@H](C(=O)OCCC[*:1])c1ccc(Cl)c(Cl)c1
CC(=O)CCCOC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 CC(=O)C[*:1] C[C@H](C(=O)OCC[*:1])c1ccc(Cl)c(Cl)c1
CC(=O)CCCOC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 CC(=O)CCC[*:1] C[C@H](C(=O)O[*:1])c1ccc(Cl)c(Cl)c1
CC(=O)CCCOC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 CC(=O)CC[*:1] C[C@H](C(=O)OC[*:1])c1ccc(Cl)c(Cl)c1
C[NH+]1CCN(CCOc2ccccc2NC(=O)NCc2ccccc2Cl)CC1 Clc1ccccc1C[*:1] C[NH+]1CCN(CCOc2ccccc2NC(=O)N[*:1])CC1
C[NH+]1CCN(CCOc2ccccc2NC(=O)NCc2ccccc2Cl)CC1 Clc1ccccc1[*:1] C[NH+]1CCN(CCOc2ccccc2NC(=O)NC[*:1])CC1
CO[C@@H](CNC(=O)c1ccn(C(C)C)n1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)c1ccn(n1)C(C)C)[*:1]
CO[C@@H](CNC(=O)c1ccn(C(C)C)n1)c1ccc(F)cc1 CC(C)[*:1] CO[C@@H](CNC(=O)c1ccn(n1)[*:1])c1ccc(F)cc1
C[C@@H]1CCC[C@@H](CC[NH2+]C(C)(C)C(=O)N(C)C)C1 CN(C)C(=O)[*:1] C[C@@H]1CCC[C@@H](CC[NH2+]C(C)(C)[*:1])C1
CC(C)Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)s1 CC(C)[*:1] O=C(Nc1nnc(C[*:1])s1)C1CCN(CC1)S(=O)(=O)c1ccccc1
CC(C)Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)s1 CC(C)Cc1nnc(s1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1
CC(C)Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)s1 CC(C)C[*:1] O=C(Nc1nnc(s1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1
CC(C)Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)s1 c1ccc(cc1)[*:1] CC(C)Cc1nnc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])s1
C[C@@H](NC(=O)NCc1ccc([S@@](C)=O)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)[S@@](C)=O)[*:1]
C[C@@H](NC(=O)NCc1ccc([S@@](C)=O)cc1)c1cccc(Cl)c1 C[S@@](=O)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)[*:1])c1cccc(Cl)c1
O=C(NCCNC(=O)c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])Nc1ccccc1
O=C(NCCNC(=O)c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCNC(=O)c1ccccc1)N[*:1]
Cc1cccc(NC(=O)C2CCN(C(=O)/C(C#N)=C/c3ccco3)CC2)n1 c1coc(c1)[*:1] Cc1cccc(n1)NC(=O)C1CCN(CC1)C(=O)C(C#N)=C[*:1]
Cc1cccc(NC(=O)C2CCN(C(=O)/C(C#N)=C/c3ccco3)CC2)n1 Cc1cccc(n1)[*:1] N#C/C(=C\c1ccco1)C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cccc(NC(=O)C2CCN(C(=O)/C(C#N)=C/c3ccco3)CC2)n1 N#CC(=Cc1ccco1)[*:1] Cc1cccc(n1)NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ocnc1CNC(=O)NC[C@](C)(O)c1ccco1 c1coc(c1)[*:1] Cc1ocnc1CNC(=O)NC[C@](C)(O)[*:1]
Cc1ocnc1CNC(=O)NC[C@](C)(O)c1ccco1 Cc1ocnc1[*:1] C[C@](O)(CNC(=O)NC[*:1])c1ccco1
Cc1ccc(NC(=O)CS(=O)(=O)c2cccc(F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1cccc(F)c1)N[*:1]
Cc1ccc(NC(=O)CS(=O)(=O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)CS(=O)(=O)[*:1]
CCN(Cc1cccc(C)n1)[C@H](C[NH3+])Cc1ccccc1 Cc1cccc(n1)[*:1] CCN(C[*:1])[C@H](C[NH3+])Cc1ccccc1
CCN(Cc1cccc(C)n1)[C@H](C[NH3+])Cc1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1cccc(C)n1)[C@H](C[NH3+])C[*:1]
CCN(Cc1cccc(C)n1)[C@H](C[NH3+])Cc1ccccc1 c1ccc(cc1)C[*:1] CCN(Cc1cccc(C)n1)[C@H](C[NH3+])[*:1]
Cc1ccccc1[C@@H](Nc1cncc(C(N)=O)n1)C(C)(C)C NC(=O)[*:1] Cc1ccccc1[C@@H](Nc1cncc(n1)[*:1])C(C)(C)C
Cc1ccccc1[C@@H](Nc1cncc(C(N)=O)n1)C(C)(C)C Cc1ccccc1[*:1] CC(C)(C)[C@H](Nc1cncc(n1)C(N)=O)[*:1]
Cc1ccccc1[C@@H](Nc1cncc(C(N)=O)n1)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@@H](Nc1cncc(n1)C(N)=O)[*:1]
CNS(=O)(=O)c1cc(C(=O)NCc2sc(C)nc2C)ccc1F Cc1nc(C)c(s1)[*:1] CNS(=O)(=O)c1cc(ccc1F)C(=O)NC[*:1]
CNS(=O)(=O)c1cc(C(=O)NCc2sc(C)nc2C)ccc1F CNS(=O)(=O)[*:1] Cc1nc(C)c(CNC(=O)c2ccc(F)c(c2)[*:1])s1
CCCNC(=O)CNC(=O)N1CCC[C@@H](COCC)C1 CCC[*:1] CCOC[C@@H]1CCCN(C1)C(=O)NCC(=O)N[*:1]
CCCNC(=O)CNC(=O)N1CCC[C@@H](COCC)C1 CCCNC(=O)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)NC[*:1]
CCCNC(=O)CNC(=O)N1CCC[C@@H](COCC)C1 CCO[*:1] CCCNC(=O)CNC(=O)N1CCC[C@H](C1)C[*:1]
CCCNC(=O)CNC(=O)N1CCC[C@@H](COCC)C1 CCOC[*:1] CCCNC(=O)CNC(=O)N1CCC[C@@H](C1)[*:1]
C#CCNC(=O)N[C@H](C)CCc1ccccc1 C#CC[*:1] C[C@H](CCc1ccccc1)NC(=O)N[*:1]
COc1ccc([C@@H](N[C@@H](C)c2cnc(C)s2)c2ccccc2OC)cc1 Cc1ncc(s1)[*:1] COc1ccc(cc1)[C@@H](N[C@@H](C)[*:1])c1ccccc1OC
COc1ccc([C@@H](N[C@@H](C)c2cnc(C)s2)c2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1[C@H](N[C@@H](C)c1cnc(C)s1)[*:1]
COc1ccc([C@@H](N[C@@H](C)c2cnc(C)s2)c2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)[C@@H](N[C@@H](C)c1cnc(C)s1)[*:1]
CCc1nc2n(n1)[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 CC(=O)[*:1] CCc1nc2NC(=O)C[C@H](C(=O)Nc3ccc(cc3)[*:1])n2n1
N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1cccc(F)c1 Fc1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1cccc(F)c1)OC(=O)[*:1]
N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1cccc(F)c1 O=C(O[*:1])c1ccc(F)cc1 N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1cccc(F)c1)[*:1]
N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1[*:1])OC(=O)c1ccc(F)cc1
C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)[*:1]
C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C[*:1]
S=c1n(CN2CCN(c3ncccn3)CC2)nc(C2CC2)n1Cc1ccccc1 C1CC1[*:1] S=c1n(CN2CCN(CC2)c2ncccn2)nc(n1Cc1ccccc1)[*:1]
S=c1n(CN2CCN(c3ncccn3)CC2)nc(C2CC2)n1Cc1ccccc1 c1cnc(nc1)[*:1] S=c1n(CN2CCN(CC2)[*:1])nc(C2CC2)n1Cc1ccccc1
S=c1n(CN2CCN(c3ncccn3)CC2)nc(C2CC2)n1Cc1ccccc1 c1ccc(cc1)[*:1] S=c1n(CN2CCN(CC2)c2ncccn2)nc(C2CC2)n1C[*:1]
S=c1n(CN2CCN(c3ncccn3)CC2)nc(C2CC2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] S=c1n(CN2CCN(CC2)c2ncccn2)nc(C2CC2)n1[*:1]
C#CCN(CC=C)C(=O)CCC(=O)Nc1cc(C)ccc1F C=CC[*:1] C#CCN(C(=O)CCC(=O)Nc1cc(C)ccc1F)[*:1]
C#CCN(CC=C)C(=O)CCC(=O)Nc1cc(C)ccc1F C#CC[*:1] C=CCN(C(=O)CCC(=O)Nc1cc(C)ccc1F)[*:1]
CCn1cnc2sc(C(=O)Nc3cc(-c4csnn4)ccc3C)c(C)c2c1=O c1snnc1[*:1] CCn1cnc2sc(C(=O)Nc3cc(ccc3C)[*:1])c(C)c2c1=O
Cc1cc(I)ccc1NCc1cccc(C2CC2)c1 C1CC1[*:1] Cc1cc(I)ccc1NCc1cccc(c1)[*:1]
O=C([O-])[C@H]1COc2c(O)cccc2C1 O=C([O-])[*:1] Oc1cccc2C[C@H](COc12)[*:1]
CCc1nc2ccccc2n1CC(=O)Nc1cnc2c(cnn2C(C)C)c1 CC(C)[*:1] CCc1nc2ccccc2n1CC(=O)Nc1cnc2c(cnn2[*:1])c1
Cc1cc(C)c(S(=O)(=O)n2cc([C@@H](C)[C@@H]([NH3+])C(=O)[O-])c3ccccc32)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] C[C@H](c1cn(c2ccccc12)S(=O)(=O)[*:1])[C@@H]([NH3+])C(=O)[O-]
CCC(CC)(CNC(=O)N1CCc2ccc(F)cc2[C@H]1C)S(C)(=O)=O CS(=O)(=O)[*:1] CCC(CC)(CNC(=O)N1CCc2ccc(F)cc2[C@H]1C)[*:1]
CCSCCOC(=O)c1ccc(-c2cscn2)cc1 CCS[*:1] O=C(OCC[*:1])c1ccc(cc1)-c1cscn1
CCSCCOC(=O)c1ccc(-c2cscn2)cc1 CCSC[*:1] O=C(OC[*:1])c1ccc(cc1)-c1cscn1
CCSCCOC(=O)c1ccc(-c2cscn2)cc1 CCSCC[*:1] O=C(O[*:1])c1ccc(cc1)-c1cscn1
CCSCCOC(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] CCSCCOC(=O)c1ccc(cc1)[*:1]
Cc1nn(C(=O)N(c2ccccc2)c2ccccc2)c(C)c1C c1ccc(cc1)[*:1] Cc1nn(C(=O)N(c2ccccc2)[*:1])c(C)c1C
CCCC(C)(C)NC(=O)N[C@H]1CCCC[C@H]1OC CCC[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)NC(C)(C)[*:1]
CCCC(C)(C)NC(=O)N[C@H]1CCCC[C@H]1OC CCCC(C)(C)[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)N[*:1]
CSc1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)s1 c1ccc(cc1)C[*:1] CSc1nnc(SCC(=O)N(C(C)(C)C)[*:1])s1
CSc1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)s1 CSc1nnc(s1)[*:1] CC(C)(C)N(Cc1ccccc1)C(=O)CS[*:1]
CSc1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)s1 CC(C)(C)[*:1] CSc1nnc(SCC(=O)N(Cc2ccccc2)[*:1])s1
CSc1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)s1 c1ccc(cc1)[*:1] CSc1nnc(SCC(=O)N(C[*:1])C(C)(C)C)s1
CCCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O CCC[*:1] O=C(C[*:1])NNC(=O)c1nn(cc1O)-c1ccccc1
CCCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O c1ccc(cc1)[*:1] CCCCC(=O)NNC(=O)c1nn(cc1O)[*:1]
CCCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O CCCC[*:1] O=C(NNC(=O)[*:1])c1nn(cc1O)-c1ccccc1
C[NH+](C)[C@H](CNC(=O)CCc1cc(Cl)cs1)c1ccco1 Clc1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)CC[*:1])c1ccco1
C[NH+](C)[C@H](CNC(=O)CCc1cc(Cl)cs1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)CCc1cc(Cl)cs1)[*:1]
C[NH+](C)[C@H](CNC(=O)CCc1cc(Cl)cs1)c1ccco1 Clc1csc(c1)C[*:1] C[NH+](C)[C@H](CNC(=O)C[*:1])c1ccco1
C[NH+](C)Cc1ccccc1CNC(=O)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] C[NH+](C)Cc1ccccc1CNC(=O)c1cn(nn1)[*:1]
CCOc1cccnc1C(=O)N1CCC(c2cc(C)n[nH]2)CC1 Cc1cc([nH]n1)[*:1] CCOc1cccnc1C(=O)N1CCC(CC1)[*:1]
CCOc1cccnc1C(=O)N1CCC(c2cc(C)n[nH]2)CC1 CCO[*:1] Cc1cc([nH]n1)C1CCN(CC1)C(=O)c1ncccc1[*:1]
CCn1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(nc2ccccc21)NC(=O)[C@@H]1C[C@H]1[*:1]
C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H](c2ccsc2)O1 O=c1[nH]nc([nH]1)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccsc1)C[*:1]
C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H](c2ccsc2)O1 c1cc(cs1)[*:1] C[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H](O1)[*:1]
Cc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2C)n1 Cc1cc(C)nc(n1)[*:1] Cc1nn(c(C)c1CC(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])[*:1]
Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2C)n1 O=[N+]([O-])[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(CC(=O)Nc2ccc(F)c(c2)[*:1])c1C
Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)N(C)S(=O)(=O)N1 Clc1ccc(cc1Cl)[*:1] Cc1nn(C)cc1[C@H]1C[C@H](C(=O)N[*:1])N(C)S(=O)(=O)N1
Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)N(C)S(=O)(=O)N1 Cc1nn(C)cc1[*:1] CN1[C@H](C[C@@H](NS1(=O)=O)[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
COC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] COC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(c1)O[*:1]
COC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] COC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(c1)[*:1]
COC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(OC2CCC2)c1 COC(=O)[*:1] Cc1cc(NC(=O)c2ccnc(c2)OC2CCC2)c([nH]1)[*:1]
O=C(Nc1ccccc1)c1ccc(=O)n(CCN2CCOCC2)c1 C1CN(CCO1)C[*:1] O=C(Nc1ccccc1)c1ccc(=O)n(c1)C[*:1]
O=C(Nc1ccccc1)c1ccc(=O)n(CCN2CCOCC2)c1 c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(=O)n(c1)CCN1CCOCC1
O=C(Nc1ccccc1)c1ccc(=O)n(CCN2CCOCC2)c1 C1CN(CCO1)[*:1] O=C(Nc1ccccc1)c1ccc(=O)n(c1)CC[*:1]
O=C(Nc1ccccc1)c1ccc(=O)n(CCN2CCOCC2)c1 C1CN(CCO1)CC[*:1] O=C(Nc1ccccc1)c1ccc(=O)n(c1)[*:1]
O=C(NCCOc1cccnc1)C1CCC1 C1CC(C1)[*:1] O=C(NCCOc1cccnc1)[*:1]
CCCc1cc(NCCn2cccn2)n2ncnc2n1 c1cnn(c1)C[*:1] CCCc1cc(NC[*:1])n2ncnc2n1
CCCc1cc(NCCn2cccn2)n2ncnc2n1 CCC[*:1] c1cnn(c1)CCNc1cc(nc2ncnn12)[*:1]
CCCc1cc(NCCn2cccn2)n2ncnc2n1 c1cnn(c1)[*:1] CCCc1cc(NCC[*:1])n2ncnc2n1
COCCN(C)C(=O)C1CCN(C2CC[NH+](Cc3ccccc3C)CC2)CC1 COC[*:1] Cc1ccccc1C[NH+]1CCC(CC1)N1CCC(CC1)C(=O)N(C)C[*:1]
COCCN(C)C(=O)C1CCN(C2CC[NH+](Cc3ccccc3C)CC2)CC1 Cc1ccccc1[*:1] COCCN(C)C(=O)C1CCN(CC1)C1CC[NH+](CC1)C[*:1]
COCCN(C)C(=O)C1CCN(C2CC[NH+](Cc3ccccc3C)CC2)CC1 COCCN(C)C(=O)[*:1] Cc1ccccc1C[NH+]1CCC(CC1)N1CCC(CC1)[*:1]
COCCN(C)C(=O)C1CCN(C2CC[NH+](Cc3ccccc3C)CC2)CC1 Cc1ccccc1C[*:1] COCCN(C)C(=O)C1CCN(CC1)C1CC[NH+](CC1)[*:1]
COCCN(C)C(=O)C1CCN(C2CC[NH+](Cc3ccccc3C)CC2)CC1 COCC[*:1] Cc1ccccc1C[NH+]1CCC(CC1)N1CCC(CC1)C(=O)N(C)[*:1]
COc1ccc(Cl)cc1CNC(=O)[C@@H](NC(C)=O)C(C)C CC(=O)N[*:1] COc1ccc(Cl)cc1CNC(=O)[C@@H](C(C)C)[*:1]
COc1ccc(Cl)cc1CNC(=O)[C@@H](NC(C)=O)C(C)C CC(C)[*:1] COc1ccc(Cl)cc1CNC(=O)[C@@H](NC(C)=O)[*:1]
CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(cc1)[*:1]
CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 CC(C)[*:1] C[C@@H]([NH2+][C@H](CO)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)c1ccc2[nH+]c3sc(C(=O)Nc4nccs4)c(N)c3cc2c1 CC(C)[*:1] Nc1c(sc2[nH+]c3ccc(cc3cc12)[*:1])C(=O)Nc1nccs1
CC(C)c1ccc2[nH+]c3sc(C(=O)Nc4nccs4)c(N)c3cc2c1 c1csc(n1)[*:1] CC(C)c1ccc2[nH+]c3sc(C(=O)N[*:1])c(N)c3cc2c1
CC(C)c1ccc2[nH+]c3sc(C(=O)Nc4nccs4)c(N)c3cc2c1 O=C(Nc1nccs1)[*:1] CC(C)c1ccc2[nH+]c3sc(c(N)c3cc2c1)[*:1]
CC(C)(CO)NC(=O)Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1 Clc1ccccc1C[*:1] CC(C)(CO)NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CC(C)(CO)NC(=O)Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CC(C)(CO)NC(=O)Cc1ccc(cc1)NC(=O)C[*:1]
CC(C)(CO)NC(=O)Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1 CC(C)(CO)NC(=O)[*:1] O=C(Cc1ccccc1Cl)Nc1ccc(cc1)C[*:1]
CC(C)(CO)NC(=O)Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1 CC(C)(CO)[*:1] O=C(Cc1ccccc1Cl)Nc1ccc(cc1)CC(=O)N[*:1]
C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](CC(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](CC(C)(C)C)[*:1]
C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](CC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](C[*:1])c1ccccc1
C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](CC(C)(C)C)c1ccccc1 CC(C)(C)C[*:1] C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](c1ccccc1)[*:1]
Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccc(C)c(Cl)c2)n1 C1CCN(CC1)[*:1] Cc1cc(nc(n1)NCCNC(=O)Nc1ccc(C)c(Cl)c1)[*:1]
Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccc(C)c(Cl)c2)n1 Cc1ccc(cc1Cl)[*:1] Cc1cc(nc(n1)NCCNC(=O)N[*:1])N1CCCCC1
CC(C)(C)n1nccc1NC(=O)C(=O)NCC1(O)CCCCC1 OC1(CCCCC1)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)NC[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)NCC1(O)CCCCC1 CC(C)(C)[*:1] O=C(NCC1(O)CCCCC1)C(=O)Nc1ccnn1[*:1]
C[C@H](CC(=O)N1[C@H](C)COC[C@H]1C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](CC(=O)N1[C@H](C)COC[C@H]1C)c1cccc(c1)[*:1]
C[S@@](=O)c1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] C[S@@](=O)c1ccc(cc1)C(=O)NCCOc1ccc(cc1)[*:1]
Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)NC3CC3)[C@H](O)[C@@H]2O)cc1 O=C(C[*:1])NC1CC1 Cc1ccc(cc1)C(=O)NC[C@H]1O[C@@H]([C@H](O)[C@@H]1O)[*:1]
Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)NC3CC3)[C@H](O)[C@@H]2O)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@@H]1O[C@H](CNC(=O)[*:1])[C@@H](O)[C@H]1O)NC1CC1
Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)NC3CC3)[C@H](O)[C@@H]2O)cc1 C1CC1[*:1] Cc1ccc(cc1)C(=O)NC[C@H]1O[C@@H](CC(=O)N[*:1])[C@H](O)[C@@H]1O
Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)NC3CC3)[C@H](O)[C@@H]2O)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)C(=O)NC[C@H]1O[C@@H](C[*:1])[C@H](O)[C@@H]1O
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)N(Cc1ccc(cc1)[N+](=O)[O-])C(=O)c1coc(n1)[*:1]
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1coc(-c2ccccc2)n1 O=[N+]([O-])[*:1] CC(C)N(Cc1ccc(cc1)[*:1])C(=O)c1coc(n1)-c1ccccc1
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1coc(-c2ccccc2)n1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)c1coc(n1)-c1ccccc1
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1coc(-c2ccccc2)n1 CC(C)[*:1] O=C(c1coc(n1)-c1ccccc1)N(Cc1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ccc(Sc2cncc(-n3nc(C)cc3C)n2)cc1OC Cc1cc(C)n(n1)[*:1] COc1ccc(cc1OC)Sc1cncc(n1)[*:1]
CC(C)N1CC[C@@H](SCC(=O)C(C)(C)C)C1=O CC(C)[*:1] CC(C)(C)C(=O)CS[C@@H]1CCN(C1=O)[*:1]
CC(C)N1CC[C@@H](SCC(=O)C(C)(C)C)C1=O CC(C)(C)[*:1] CC(C)N1CC[C@@H](SCC(=O)[*:1])C1=O
CCC[NH2+][C@H](c1ccco1)C(C)(C)[NH+]1CCCCCC1 c1coc(c1)[*:1] CCC[NH2+][C@H](C(C)(C)[NH+]1CCCCCC1)[*:1]
CCC[NH2+][C@H](c1ccco1)C(C)(C)[NH+]1CCCCCC1 CCC[*:1] CC(C)([C@H]([NH2+][*:1])c1ccco1)[NH+]1CCCCCC1
CC(C)NC(=O)CCNC(=O)c1ccc2cnsc2c1 CC(C)[*:1] O=C(CCNC(=O)c1ccc2cnsc2c1)N[*:1]
CC(C)NC(=O)CCNC(=O)c1ccc2cnsc2c1 CC(C)NC(=O)[*:1] O=C(NCC[*:1])c1ccc2cnsc2c1
CN(C(=O)c1ccccc1Cn1cncn1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CN(C(=O)c1ccccc1Cn1cncn1)c1ccc(cc1)[*:1]
CN(C(=O)c1ccccc1Cn1cncn1)c1ccc(C(C)(C)C)cc1 c1ncn(n1)[*:1] CN(C(=O)c1ccccc1C[*:1])c1ccc(cc1)C(C)(C)C
CN(C(=O)c1ccccc1Cn1cncn1)c1ccc(C(C)(C)C)cc1 c1ncn(C[*:1])n1 CN(C(=O)c1ccccc1[*:1])c1ccc(cc1)C(C)(C)C
CCCc1ccc(C(=O)/C(C#N)=C/c2c(C)n[nH]c2C)cc1 Cc1n[nH]c(C)c1[*:1] CCCc1ccc(cc1)C(=O)C(C#N)=C[*:1]
CCCc1ccc(C(=O)/C(C#N)=C/c2c(C)n[nH]c2C)cc1 CCC[*:1] Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)c1ccc(cc1)[*:1]
CCN1C[C@H](CN(C)C(=O)NCCCC(N)=O)Oc2ccccc21 NC(=O)CCC[*:1] CCN1C[C@H](CN(C)C(=O)N[*:1])Oc2ccccc21
CCN1C[C@H](CN(C)C(=O)NCCCC(N)=O)Oc2ccccc21 NC(=O)CC[*:1] CCN1C[C@H](CN(C)C(=O)NC[*:1])Oc2ccccc21
CCN1C[C@H](CN(C)C(=O)NCCCC(N)=O)Oc2ccccc21 NC(=O)[*:1] CCN1C[C@H](CN(C)C(=O)NCCC[*:1])Oc2ccccc21
CCN1C[C@H](CN(C)C(=O)NCCCC(N)=O)Oc2ccccc21 NC(=O)C[*:1] CCN1C[C@H](CN(C)C(=O)NCC[*:1])Oc2ccccc21
C[NH+](C)[C@H]1CC[C@@H](NC(=O)C(C)(C)CCCc2ccccc2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)C(C)(C)CC[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)C(C)(C)CCCc2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)C(C)(C)CCC[*:1]
Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 c1ccc(cc1)C[*:1] Nc1ncc(-c2cccc(F)c2)c(n1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 c1ccc(cc1)[*:1] Nc1ncc(-c2cccc(F)c2)c(n1)[C@@H]1CCCN(C1)C(=O)CCC[*:1]
Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 c1ccc(cc1)CCC[*:1] Nc1ncc(-c2cccc(F)c2)c(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 c1ccc(cc1)CC[*:1] Nc1ncc(-c2cccc(F)c2)c(n1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 Fc1cccc(c1)[*:1] Nc1ncc(c(n1)[C@@H]1CCCN(C1)C(=O)CCCc1ccccc1)[*:1]
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cc2C1 CS(=O)(=O)[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)NNC(=O)c1cccc(c1)[*:1]
CCOc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 CCO[*:1] Cc1ccc(cc1)OCc1nc(cs1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)O[*:1] CCOc1ccc(cc1)NC(=O)c1csc(C[*:1])n1
CCOc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)c1csc(CO[*:1])n1
C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ncoc1-c1ccco1 c1coc(c1)[*:1] C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ncoc1[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 Brc1ccc(cc1)O[*:1] C[C@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 Brc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1
CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2CC)cc1 CCO[*:1] CCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(cc1)[*:1]
CCCOc1ccc(OCC[NH+]2CCCN(C(C)=O)CC2)cc1 CCCO[*:1] CC(=O)N1CCC[NH+](CCOc2ccc(cc2)[*:1])CC1
CCCOc1ccc(OCC[NH+]2CCCN(C(C)=O)CC2)cc1 CCC[*:1] CC(=O)N1CCC[NH+](CCOc2ccc(cc2)O[*:1])CC1
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3Cl)nc12 c1cncc(c1)[*:1] CCOc1cccc2sc(nc12)N(C[*:1])C(=O)c1ccccc1Cl
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3Cl)nc12 CCO[*:1] O=C(c1ccccc1Cl)N(Cc1cccnc1)c1nc2c(cccc2s1)[*:1]
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3Cl)nc12 c1cncc(c1)C[*:1] CCOc1cccc2sc(nc12)N(C(=O)c1ccccc1Cl)[*:1]
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3Cl)nc12 Clc1ccccc1[*:1] CCOc1cccc2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
Cc1cnc(C(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])O2)cn1 O=C([O-])[*:1] Cc1cnc(cn1)C(=O)NC[C@@H]1CC[C@@H](O1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1cn(C2C[NH2+]C2)nn1 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc(F)c2)c1C#N COC[*:1] Cc1cc(c(C#N)c(n1)OCC(=O)N/N=C/c1cccc(F)c1)[*:1]
COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc(F)c2)c1C#N Fc1cccc(c1)[*:1] COCc1cc(C)nc(OCC(=O)NN=C[*:1])c1C#N
O=C(COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3)C2)cc1)N1CCCCC1 c1csc(c1)[*:1] O=C(COc1ccc(cc1)C1C[C@H](c2ccccc2)N(N=1)C(=O)[*:1])N1CCCCC1
O=C(COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3)C2)cc1)N1CCCCC1 O=C(C[*:1])N1CCCCC1 O=C(c1cccs1)N1N=C(C[C@@H]1c1ccccc1)c1ccc(cc1)O[*:1]
O=C(COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3)C2)cc1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)C1C[C@H](N(N=1)C(=O)c1cccs1)[*:1])N1CCCCC1
O=C(COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3)C2)cc1)N1CCCCC1 O=C(CO[*:1])N1CCCCC1 O=C(c1cccs1)N1N=C(C[C@@H]1c1ccccc1)c1ccc(cc1)[*:1]
O=C(COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3)C2)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(c1cccs1)N1N=C(C[C@@H]1c1ccccc1)c1ccc(cc1)OC[*:1]
COc1ccc2cc(CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)c(Cl)nc2c1 c1cc2CCCc2cc1[*:1] COc1ccc2cc(CN3C(=O)N[C@](C)(C3=O)[*:1])c(Cl)nc2c1
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(OCCF)c1 FCC[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(c1)O[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(OCCF)c1 FCCO[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(c1)[*:1]
Clc1ccc(CC[NH2+]C(C2CC2)C2CC2)cc1 C1CC1[*:1] Clc1ccc(cc1)CC[NH2+]C(C1CC1)[*:1]
Cc1ccc(OCCCNC(=O)N2CCN(c3ncccc3F)CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(NCCC[*:1])N1CCN(CC1)c1ncccc1F
Cc1ccc(OCCCNC(=O)N2CCN(c3ncccc3F)CC2)cc1 Cc1ccc(cc1)OC[*:1] O=C(NCC[*:1])N1CCN(CC1)c1ncccc1F
Cc1ccc(OCCCNC(=O)N2CCN(c3ncccc3F)CC2)cc1 Fc1cccnc1[*:1] Cc1ccc(cc1)OCCCNC(=O)N1CCN(CC1)[*:1]
Cc1ccc(OCCCNC(=O)N2CCN(c3ncccc3F)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCCO[*:1])N1CCN(CC1)c1ncccc1F
C[C@@H](Cc1ccsc1)NC(=O)Nc1ccccc1 c1cc(cs1)C[*:1] C[C@@H](NC(=O)Nc1ccccc1)[*:1]
C[C@@H](Cc1ccsc1)NC(=O)Nc1ccccc1 c1cc(cs1)[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccccc1
C[C@@H](Cc1ccsc1)NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1ccsc1)NC(=O)N[*:1]
C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)C)c1)C(C)(C)c1ccccc1 CN(C)C(=O)[*:1] C[C@@H](NS(=O)(=O)c1cccc(c1)[*:1])C(C)(C)c1ccccc1
C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)C)c1)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1cccc(c1)C(=O)N(C)C)C(C)(C)[*:1]
CCCCSc1nnc(C)n1CCC CCC[*:1] CCCn1c(C)nnc1SC[*:1]
CCCCSc1nnc(C)n1CCC CCCC[*:1] CCCn1c(C)nnc1S[*:1]
CCCCSc1nnc(C)n1CCC CCC[*:1] CCCCSc1nnc(C)n1[*:1]
O=C(NNC(=O)c1ccccc1OCc1ccccc1)NC1CCCCC1 c1ccc(cc1)C[*:1] O=C(NNC(=O)c1ccccc1O[*:1])NC1CCCCC1
O=C(NNC(=O)c1ccccc1OCc1ccccc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NNC(=O)c1ccccc1OCc1ccccc1)N[*:1]
O=C(NNC(=O)c1ccccc1OCc1ccccc1)NC1CCCCC1 c1ccc(cc1)CO[*:1] O=C(NNC(=O)c1ccccc1[*:1])NC1CCCCC1
O=C(NNC(=O)c1ccccc1OCc1ccccc1)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(NNC(=O)c1ccccc1OC[*:1])NC1CCCCC1
Cc1c(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)[nH]c2c1C(=O)CCC2 Fc1cccc(c1)[*:1] Cc1c([nH]c2CCCC(=O)c21)C(=O)N(C[C@@H]1CCCO1)C[*:1]
Cc1c(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)[nH]c2c1C(=O)CCC2 Fc1cccc(c1)C[*:1] Cc1c([nH]c2CCCC(=O)c21)C(=O)N(C[C@@H]1CCCO1)[*:1]
Cc1cc(N2CCC[C@@H](OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)nc(C)[nH+]1 O=[N+]([O-])[*:1] Cc1cc(nc(C)[nH+]1)N1CCC[C@H](C1)OC(=O)/C=C/c1ccc(cc1)[*:1]
Cc1cc(N2CCC[C@@H](OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)nc(C)[nH+]1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCC[C@H](C1)OC(=O)C=C[*:1]
CC(C)c1ccc(O)c(C(=O)NO[C@H]2CCCCO2)c1 CC(C)[*:1] O=C(NO[C@H]1CCCCO1)c1cc(ccc1O)[*:1]
CC(C)c1ccc(O)c(C(=O)NO[C@H]2CCCCO2)c1 C1CC[C@@H](OC1)[*:1] CC(C)c1ccc(O)c(c1)C(=O)NO[*:1]
O=C(N/N=C/c1ccccc1Br)c1cccc(S(=O)(=O)N2CCCC2)c1 Brc1ccccc1[*:1] O=C(NN=C[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
O=C(N/N=C/c1ccccc1Br)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(N/N=C/c1ccccc1Br)c1cccc(c1)[*:1]
CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)c1c(C)noc1C Brc1ccc(s1)[*:1] CC[C@@H]([NH2+][C@@H](C)[*:1])c1c(C)noc1C
C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1ccc(-n2cccn2)nc1 C1CC[C@H](C[*:1])OC1 C[C@@H](O[*:1])C(=O)NCc1ccc(nc1)-n1cccn1
C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1ccc(-n2cccn2)nc1 c1cnn(c1)[*:1] C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1ccc(nc1)[*:1]
C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1ccc(-n2cccn2)nc1 C1CC[C@@H](OC1)[*:1] C[C@@H](OC[*:1])C(=O)NCc1ccc(nc1)-n1cccn1
C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1ccc(-n2cccn2)nc1 C1CC[C@H](CO[*:1])OC1 C[C@@H](C(=O)NCc1ccc(nc1)-n1cccn1)[*:1]
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3[C@H](O)[C@@]21C FC(F)(F)[*:1] C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(CC4)c4cccc(c4)[*:1])[C@H]3[C@H](O)[C@@]21C
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3[C@H](O)[C@@]21C FC(F)(F)c1cccc(c1)[*:1] C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(CC4)[*:1])[C@H]3[C@H](O)[C@@]21C
O=C(C=C(C1CC1)C1CC1)NNC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C=C(C1CC1)C1CC1)NNC(=O)C[*:1]
O=C(C=C(C1CC1)C1CC1)NNC(=O)Cc1ccc(F)cc1 C1CC1[*:1] O=C(C=C(C1CC1)[*:1])NNC(=O)Cc1ccc(F)cc1
C[C@@H](CC(=O)[O-])c1ccc(Oc2ccccc2)cc1 O=C([O-])[*:1] C[C@@H](C[*:1])c1ccc(cc1)Oc1ccccc1
C[C@@H](CC(=O)[O-])c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)[O-])c1ccc(cc1)O[*:1]
C[C@@H](CC(=O)[O-])c1ccc(Oc2ccccc2)cc1 O=C([O-])C[*:1] C[C@@H](c1ccc(cc1)Oc1ccccc1)[*:1]
Clc1ccccc1Cn1cnc2c(N3CCN(c4ccccc4)CC3)ncnc21 Clc1ccccc1[*:1] c1ccc(cc1)N1CCN(CC1)c1ncnc2c1ncn2C[*:1]
Clc1ccccc1Cn1cnc2c(N3CCN(c4ccccc4)CC3)ncnc21 c1ccc(cc1)[*:1] Clc1ccccc1Cn1cnc2c(ncnc21)N1CCN(CC1)[*:1]
Clc1ccccc1Cn1cnc2c(N3CCN(c4ccccc4)CC3)ncnc21 Clc1ccccc1C[*:1] c1ccc(cc1)N1CCN(CC1)c1ncnc2c1ncn2[*:1]
N#Cc1c(NC(=O)c2cccnc2OCC(F)F)sc2c1CCCC2 FC(F)CO[*:1] N#Cc1c(NC(=O)c2cccnc2[*:1])sc2CCCCc21
N#Cc1c(NC(=O)c2cccnc2OCC(F)F)sc2c1CCCC2 FC(F)C[*:1] N#Cc1c(NC(=O)c2cccnc2O[*:1])sc2CCCCc21
N#Cc1c(NC(=O)c2cccnc2OCC(F)F)sc2c1CCCC2 FC(F)[*:1] N#Cc1c(NC(=O)c2cccnc2OC[*:1])sc2CCCCc21
COC(=O)c1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCC3 COC(=O)[*:1] O=C(CSc1nc2sc3CCCc3c2c(=O)[nH]1)Nc1ccccc1[*:1]
COCc1ccccc1C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C CC(C)(C)[*:1] COCc1ccccc1C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
COCc1ccccc1C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C COC[*:1] Cn1c(nc2cc(ccc21)NC(=O)c1ccccc1[*:1])C(C)(C)C
CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 CC(C)C[*:1] O=C(N(Cc1cccc(F)c1)C[C@@H]1CC(=NO1)c1cccc(F)c1)[*:1]
CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)C[*:1] CC(C)CC(=O)N(C[C@@H]1CC(=NO1)c1cccc(F)c1)[*:1]
CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@@H]1CC(=NO1)[*:1]
CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] CC(C)CC(=O)N(C[C@@H]1CC(=NO1)c1cccc(F)c1)C[*:1]
CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 CC(C)[*:1] O=C(C[*:1])N(Cc1cccc(F)c1)C[C@@H]1CC(=NO1)c1cccc(F)c1
CCC[NH2+][C@@H](Cc1csc(C)n1)[C@H]1CCc2cccnc21 Cc1nc(cs1)C[*:1] CCC[NH2+][C@@H]([C@H]1CCc2cccnc21)[*:1]
CCC[NH2+][C@@H](Cc1csc(C)n1)[C@H]1CCc2cccnc21 Cc1nc(cs1)[*:1] CCC[NH2+][C@@H](C[*:1])[C@H]1CCc2cccnc21
CCC[NH2+][C@@H](Cc1csc(C)n1)[C@H]1CCc2cccnc21 CCC[*:1] Cc1nc(cs1)C[C@H]([NH2+][*:1])[C@H]1CCc2cccnc21
COCc1c(C)c(C)c(COC)c(C)c1C COC[*:1] COCc1c(C)c(C)c(c(C)c1C)[*:1]
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccn4)nn32)cc(OC)c1OC c1ccc(nc1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1C2C(=O)CCCC=2Nc2nc(nn21)SC[*:1]
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccn4)nn32)cc(OC)c1OC c1ccc(CS[*:1])nc1 COc1cc(cc(OC)c1OC)[C@@H]1C2C(=O)CCCC=2Nc2nc(nn21)[*:1]
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccn4)nn32)cc(OC)c1OC c1ccc(C[*:1])nc1 COc1cc(cc(OC)c1OC)[C@@H]1C2C(=O)CCCC=2Nc2nc(nn21)S[*:1]
N#Cc1c(Cl)nsc1N1CCC[C@@H]1C(=O)NC1CC1 C1CC1[*:1] N#Cc1c(Cl)nsc1N1CCC[C@@H]1C(=O)N[*:1]
N#Cc1c(Cl)nsc1N1CCC[C@@H]1C(=O)NC1CC1 O=C(NC1CC1)[*:1] N#Cc1c(Cl)nsc1N1CCC[C@H]1[*:1]
CCN(C(=O)CN1CCSC[C@H]1c1ccc(C)o1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CN1CCSC[C@H]1c1ccc(C)o1)[*:1]
CCN(C(=O)CN1CCSC[C@H]1c1ccc(C)o1)c1ccccc1 Cc1ccc(o1)[*:1] CCN(C(=O)CN1CCSC[C@@H]1[*:1])c1ccccc1
Cc1cccc(NC(=O)NCc2cccc(CN3CCCC3=O)c2)c1 Cc1cccc(c1)[*:1] O=C(NCc1cccc(c1)CN1CCCC1=O)N[*:1]
Cc1cccc(NC(=O)NCc2cccc(CN3CCCC3=O)c2)c1 O=C1CCCN1C[*:1] Cc1cccc(c1)NC(=O)NCc1cccc(c1)[*:1]
Cc1cccc(NC(=O)NCc2cccc(CN3CCCC3=O)c2)c1 O=C1CCCN1[*:1] Cc1cccc(c1)NC(=O)NCc1cccc(c1)C[*:1]
C[NH+](Cc1ccc(C#N)cc1)Cc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] C[NH+](Cc1ccc(C#N)cc1)Cc1nnnn1[*:1]
FC(F)(F)Cn1cc[nH+]c1CN1CCOC2(CCCC2)C1 FC(F)(F)[*:1] c1cn(C[*:1])c(CN2CCOC3(CCCC3)C2)[nH+]1
FC(F)(F)Cn1cc[nH+]c1CN1CCOC2(CCCC2)C1 FC(F)(F)C[*:1] c1cn(c(CN2CCOC3(CCCC3)C2)[nH+]1)[*:1]
O=S(=O)(NC[C@](O)(c1ccccc1)C1CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(NC[C@](O)(c1ccccc1)C1CC1)[*:1]
O=S(=O)(NC[C@](O)(c1ccccc1)C1CC1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=S(=O)(NC[C@](O)(C1CC1)[*:1])c1ccc(Cl)cc1
O=S(=O)(NC[C@](O)(c1ccccc1)C1CC1)c1ccc(Cl)cc1 C1CC1[*:1] O=S(=O)(NC[C@](O)(c1ccccc1)[*:1])c1ccc(Cl)cc1
Cc1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1cc(ccc1Cl)C(F)(F)F
Cc1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c(C)c1 FC(F)(F)[*:1] Cc1ccc(NC(=O)CN(c2cc(ccc2Cl)[*:1])S(C)(=O)=O)c(C)c1
CCCOc1ccccc1NC(=O)c1ccc(CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc1 CCC[*:1] O=C(Nc1ccccc1O[*:1])c1ccc(cc1)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21
CCCOc1ccccc1NC(=O)c1ccc(CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc1 CCCO[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21
CCCOc1ccccc1NC(=O)c1ccc(CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc1 CCCOc1ccccc1[*:1] O=C(N[*:1])c1ccc(cc1)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21
CC(C)NC(=O)C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 CC(C)[*:1] O=C(NCc1nc(-c2cccc(F)c2)c([nH]1)-c1ccccn1)C(=O)N[*:1]
CC(C)NC(=O)C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 CC(C)NC(=O)C(=O)N[*:1] Fc1cccc(c1)-c1nc(C[*:1])[nH]c1-c1ccccn1
CC(C)NC(=O)C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 c1ccc(nc1)[*:1] CC(C)NC(=O)C(=O)NCc1nc(-c2cccc(F)c2)c([nH]1)[*:1]
CC(C)NC(=O)C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 Fc1cccc(c1)[*:1] CC(C)NC(=O)C(=O)NCc1nc(c([nH]1)-c1ccccn1)[*:1]
COc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nc(SC)n1 CC(C)(C)[*:1] COc1cc(nc(n1)SC)N1CCN(C[C@@H]1C)C(=O)O[*:1]
CNC(=O)c1ccc(NCCCC(C)(C)CO)[nH+]n1 CC(C)(CO)[*:1] CNC(=O)c1ccc(NCCC[*:1])[nH+]n1
CNC(=O)c1ccc(NCCCC(C)(C)CO)[nH+]n1 CC(C)(CO)C[*:1] CNC(=O)c1ccc(NCC[*:1])[nH+]n1
CNC(=O)c1ccc(NCCCC(C)(C)CO)[nH+]n1 CNC(=O)[*:1] CC(C)(CO)CCCNc1ccc(n[nH+]1)[*:1]
CC(C)n1cc(NC(=O)Nc2cccnc2Cl)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)[*:1])Nc1cccnc1Cl
O=C([O-])[C@@H]1CC[C@H](CNc2c(F)c(F)c(F)c(F)c2F)O1 O=C([O-])[*:1] Fc1c(F)c(F)c(NC[C@H]2CC[C@H](O2)[*:1])c(F)c1F
O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1cccc(c1)NC(=O)[*:1]
O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 c1n[nH]cc1[*:1] O=C(N[C@H](C(=O)N[*:1])c1ccccc1)c1cccc(c1)NC(=O)C1CCCCC1
O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 c1ccc(cc1)[*:1] O=C(N[C@H](C(=O)Nc1cn[nH]c1)[*:1])c1cccc(c1)NC(=O)C1CCCCC1
O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 O=C(N[*:1])C1CCCCC1 O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1cccc(c1)[*:1]
O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 O=C(Nc1cn[nH]c1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1cccc(c1)NC(=O)C1CCCCC1
COc1cc(C(=O)NC[C@H](C)Nc2ccccc2)cc(Cl)c1OC c1ccc(cc1)N[*:1] COc1cc(cc(Cl)c1OC)C(=O)NC[C@H](C)[*:1]
COc1cc(C(=O)NC[C@H](C)Nc2ccccc2)cc(Cl)c1OC c1ccc(cc1)[*:1] COc1cc(cc(Cl)c1OC)C(=O)NC[C@H](C)N[*:1]
Cc1ccc2c(CSc3nnc(CN4CCCC4=O)o3)cc(=O)oc2c1 O=C1CCCN1C[*:1] Cc1ccc2c(cc(=O)oc2c1)CSc1nnc(o1)[*:1]
Cc1ccc2c(CSc3nnc(CN4CCCC4=O)o3)cc(=O)oc2c1 O=C1CCCN1[*:1] Cc1ccc2c(cc(=O)oc2c1)CSc1nnc(C[*:1])o1
Cc1[nH]ncc1CCC[NH2+]Cc1csc(-c2ncccn2)n1 c1cnc(nc1)[*:1] Cc1[nH]ncc1CCC[NH2+]Cc1csc(n1)[*:1]
Cc1[nH]ncc1CCC[NH2+]Cc1csc(-c2ncccn2)n1 Cc1[nH]ncc1C[*:1] c1cnc(nc1)-c1nc(cs1)C[NH2+]CC[*:1]
Cc1[nH]ncc1CCC[NH2+]Cc1csc(-c2ncccn2)n1 Cc1[nH]ncc1[*:1] c1cnc(nc1)-c1nc(cs1)C[NH2+]CCC[*:1]
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)Cn1ncc2ccccc2c1=O COC(=O)[*:1] O=C(Cn1ncc2ccccc2c1=O)N[C@H]1CCCC[C@@H]1[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1CO[*:1])[C@@H]1C(C#N)=C(N)OC2CC(C)(C)CC(=O)C=21
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1F Fc1ccc(O[*:1])c(F)c1 COc1ccc(cc1C[*:1])[C@@H]1C(C#N)=C(N)OC2CC(C)(C)CC(=O)C=21
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1F Fc1ccc(OC[*:1])c(F)c1 COc1ccc(cc1[*:1])[C@@H]1C(C#N)=C(N)OC2CC(C)(C)CC(=O)C=21
Cc1cc(C)n(C[C@H](C)CNC(=O)NC2CCCCCCC2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNC(=O)NC1CCCCCCC1)C[*:1]
CNC(=O)/C(C#N)=C(\[O-])c1cccn(Cc2cccc(C)c2)c1=O Cc1cccc(c1)C[*:1] CNC(=O)/C(C#N)=C(\[O-])c1cccn(c1=O)[*:1]
CNC(=O)/C(C#N)=C(\[O-])c1cccn(Cc2cccc(C)c2)c1=O Cc1cccc(c1)[*:1] CNC(=O)/C(C#N)=C(\[O-])c1cccn(C[*:1])c1=O
CNC(=O)/C(C#N)=C(\[O-])c1cccn(Cc2cccc(C)c2)c1=O CNC(=O)[*:1] Cc1cccc(c1)Cn1cccc(C([O-])=C(C#N)[*:1])c1=O
O=C(CNc1ncnc2sccc12)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(CNc1ncnc2sccc12)N[*:1]
COc1cccc(S(=O)(=O)/N=C(\[O-])C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] COc1cccc(c1)S(=O)(=O)/N=C(\[O-])C[*:1]
CC[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2cncnc2)cc1)c1ccccc1 c1ncc(cn1)[*:1] CC[C@@H](CC(=O)N[C@@H](C)c1ccc(cc1)[*:1])c1ccccc1
CC[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2cncnc2)cc1)c1ccccc1 CC[C@@H](c1ccccc1)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1cncnc1
CC[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2cncnc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CC(=O)N[C@@H](C)c1ccc(cc1)-c1cncnc1)[*:1]
CCC[C@@](C)(C[NH3+])N(C)C1CC1 C1CC1[*:1] CCC[C@@](C)(C[NH3+])N(C)[*:1]
CCC[C@@](C)(C[NH3+])N(C)C1CC1 CCC[*:1] CN(C1CC1)[C@@](C)(C[NH3+])[*:1]
O=C(NCc1nc(-c2cccs2)no1)c1cnc([C@@H]2CCCO2)s1 c1csc(c1)[*:1] O=C(NCc1nc(no1)[*:1])c1cnc(s1)[C@@H]1CCCO1
CCOC(=O)C[C@@H](C)Sc1snc(Cl)c1C#N CCOC(=O)[*:1] C[C@H](C[*:1])Sc1snc(Cl)c1C#N
Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccc(Cl)cc4)c3[N+](=O)[O-])c2n1 O=[N+]([O-])[*:1] Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccc(Cl)cc4)c3[*:1])c2n1
Cc1ccc2cccc(Oc3ncnc(NNC(=O)c4ccc(Cl)cc4)c3[N+](=O)[O-])c2n1 Clc1ccc(cc1)[*:1] Cc1ccc2cccc(Oc3ncnc(NNC(=O)[*:1])c3[N+](=O)[O-])c2n1
CC(=O)N[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 CC(C)[*:1] CC(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)N[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 CC(=O)N[*:1] CC(C)c1ccc(cc1)NC(=O)[C@H](C)[*:1]
CC(=O)N[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 CC(=O)N[C@@H](C)[*:1] CC(C)c1ccc(cc1)NC(=O)[*:1]
O=C1C[C@@H](c2ccccc2)C(=O)N1c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 Clc1cccc(c1)[*:1] O=C1C[C@H](C(=O)N1c1ccc(NC[*:1])c(c1)[N+](=O)[O-])c1ccccc1
O=C1C[C@@H](c2ccccc2)C(=O)N1c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 Clc1cccc(c1)C[*:1] O=C1C[C@H](C(=O)N1c1ccc(N[*:1])c(c1)[N+](=O)[O-])c1ccccc1
O=C1C[C@@H](c2ccccc2)C(=O)N1c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 Clc1cccc(c1)CN[*:1] O=C1C[C@H](C(=O)N1c1ccc(c(c1)[N+](=O)[O-])[*:1])c1ccccc1
O=C1C[C@@H](c2ccccc2)C(=O)N1c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C1C[C@H](C(=O)N1c1ccc(NCc2cccc(Cl)c2)c(c1)[*:1])c1ccccc1
O=C1C[C@@H](c2ccccc2)C(=O)N1c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)N1c1ccc(NCc2cccc(Cl)c2)c(c1)[N+](=O)[O-])[*:1]
O=C(NC1CC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 C1CC1[*:1] O=C(N[*:1])N1CCN(CC1)S(=O)(=O)c1c[nH]c2ncccc12
CC(C)[C@H]1CN(c2ccnc(N)n2)CCC(=O)N1CC1CC1 CC(C)[*:1] Nc1nccc(n1)N1CCC(=O)N(CC2CC2)[C@H](C1)[*:1]
CC(C)[C@H]1CN(c2ccnc(N)n2)CCC(=O)N1CC1CC1 C1CC1[*:1] CC(C)[C@H]1CN(CCC(=O)N1C[*:1])c1ccnc(N)n1
CC(C)[C@H]1CN(c2ccnc(N)n2)CCC(=O)N1CC1CC1 C1CC1C[*:1] CC(C)[C@H]1CN(CCC(=O)N1[*:1])c1ccnc(N)n1
CC(C)[C@H]1CN(c2ccnc(N)n2)CCC(=O)N1CC1CC1 Nc1nccc(n1)[*:1] CC(C)[C@H]1CN(CCC(=O)N1CC1CC1)[*:1]
Cc1ccc(NCC(=O)NNC(=O)Cn2c(=O)oc3ccccc32)c(C)c1 Cc1ccc(N[*:1])c(C)c1 O=C(Cn1c(=O)oc2ccccc21)NNC(=O)C[*:1]
Cc1ccc(NCC(=O)NNC(=O)Cn2c(=O)oc3ccccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CN[*:1])NNC(=O)Cn1c(=O)oc2ccccc21
O=C(C[NH+]1CCCCC1)N1CCc2n[nH]c(-c3ccc(C(F)(F)F)cc3)c2C1 FC(F)(F)[*:1] O=C(C[NH+]1CCCCC1)N1CCc2n[nH]c(-c3ccc(cc3)[*:1])c2C1
COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 Cc1ncc(o1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCN(CC1)C(=O)c1ccco1)[*:1]
COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCN(CC1)C(=O)[*:1])-c1cnc(C)o1
Cc1noc(C)c1S(=O)(=O)N1CCN(c2c(C)n(C)c(=O)n(C)c2=O)CC1 Cc1noc(C)c1[*:1] Cc1c(c(=O)n(C)c(=O)n1C)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2C1 O=[N+]([O-])[*:1] O=C(NCCOc1ccc(cc1)[*:1])[C@H]1COc2ccccc2C1
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NC1CCCCC1 O=C([O-])[*:1] O=C(NC1CCCCC1)[C@H]1CC=CC[C@@H]1[*:1]
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N[*:1]
COc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)-c1nonc1NC(=O)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 CC(=O)NC[*:1] O=C(CCc1ccc(o1)-c1ccccc1)N1CCC[C@H](C1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 c1ccc(cc1)[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)CCc1ccc(o1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 CC(=O)N[*:1] O=C(CCc1ccc(o1)-c1ccccc1)N1CCC[C@H](C1)C[*:1]
CO/N=C/c1ccc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cc1 Fc1ccc(F)c(c1)[*:1] CO/N=C/c1ccc(cc1)C(=O)N(C)[C@@H](C)[*:1]
CO/N=C/c1ccc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cc1 CON=C[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(cc1)[*:1]
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCC1(O)CCOCC1 CC[C@H](C)[*:1] O=C(/C=C/c1ccccc1O[*:1])NCC1(O)CCOCC1
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCC1(O)CCOCC1 OC1(CCOCC1)C[*:1] CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[*:1]
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCC1(O)CCOCC1 CC[C@H](C)O[*:1] O=C(/C=C/c1ccccc1[*:1])NCC1(O)CCOCC1
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCC1(O)CCOCC1 OC1(CCOCC1)[*:1] CC[C@H](C)Oc1ccccc1/C=C/C(=O)NC[*:1]
O=C([C@H]1CCCO1)N1CCCCC[C@H]1c1ccccc1 C1CO[C@H](C1)[*:1] O=C(N1CCCCC[C@H]1c1ccccc1)[*:1]
O=C([C@H]1CCCO1)N1CCCCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C([C@H]1CCCO1)N1CCCCC[C@@H]1[*:1]
CC(C)OC(=O)O[C@H]1CCC[NH2+]C1 CC(C)[*:1] O=C(O[C@H]1CCC[NH2+]C1)O[*:1]
CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O CC(C)(C)[*:1] O=C1C[C@H](CN1[*:1])c1nc2ccccc2n1CCC1CCCCC1
CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O C1CCC(CC1)CC[*:1] CC(C)(C)N1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O C1CCC(CC1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)c1nc2ccccc2n1CC[*:1]
CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O C1CCC(CC1)C[*:1] CC(C)(C)N1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
COc1cccc([C@@H](C)CC(=O)N(C)Cc2ccc3c(c2)OCCO3)c1 COc1cccc(c1)[*:1] C[C@@H](CC(=O)N(C)Cc1ccc2OCCOc2c1)[*:1]
Cc1n[nH]c(C)c1NC(=O)Nc1ccc(F)cc1C(F)(F)F FC(F)(F)[*:1] Cc1n[nH]c(C)c1NC(=O)Nc1ccc(F)cc1[*:1]
Cc1n[nH]c(C)c1NC(=O)Nc1ccc(F)cc1C(F)(F)F Cc1n[nH]c(C)c1[*:1] O=C(Nc1ccc(F)cc1C(F)(F)F)N[*:1]
C/[NH+]=C(/NCCS(=O)(=O)C(C)(C)C)N1CC2(CCCC2)c2ccccc21 CC(C)(C)S(=O)(=O)[*:1] C/[NH+]=C(/NCC[*:1])N1CC2(CCCC2)c2ccccc21
C/[NH+]=C(/NCCS(=O)(=O)C(C)(C)C)N1CC2(CCCC2)c2ccccc21 CC(C)(C)S(=O)(=O)C[*:1] C/[NH+]=C(/NC[*:1])N1CC2(CCCC2)c2ccccc21
C/[NH+]=C(/NCCS(=O)(=O)C(C)(C)C)N1CC2(CCCC2)c2ccccc21 CC(C)(C)[*:1] C/[NH+]=C(/NCCS(=O)(=O)[*:1])N1CC2(CCCC2)c2ccccc21
C[C@](O)(CCc1ccccc1)CNC(=O)C1(c2cccs2)CCCC1 c1ccc(cc1)C[*:1] C[C@@](O)(CNC(=O)C1(CCCC1)c1cccs1)C[*:1]
C[C@](O)(CCc1ccccc1)CNC(=O)C1(c2cccs2)CCCC1 c1ccc(cc1)CC[*:1] C[C@](O)(CNC(=O)C1(CCCC1)c1cccs1)[*:1]
C[C@](O)(CCc1ccccc1)CNC(=O)C1(c2cccs2)CCCC1 c1ccc(cc1)[*:1] C[C@](O)(CC[*:1])CNC(=O)C1(CCCC1)c1cccs1
C[C@](O)(CCc1ccccc1)CNC(=O)C1(c2cccs2)CCCC1 c1csc(c1)[*:1] C[C@](O)(CCc1ccccc1)CNC(=O)C1(CCCC1)[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)C[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)C[*:1]
CC[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)NNC(=O)[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(N3CCC(O)CC3)cc2)C1 OC1CCN(CC1)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)c1ccc(cc1)[*:1]
CNC(=O)C1CCN(C(=O)C=C2CCCCC2)CC1 CNC(=O)[*:1] O=C(C=C1CCCCC1)N1CCC(CC1)[*:1]
COc1ccc(C[C@@H]2C[C@@H](C(C)(C)C)CCC2=O)cc1 CC(C)(C)[*:1] COc1ccc(cc1)C[C@@H]1C[C@@H](CCC1=O)[*:1]
Cc1n[nH]c(C(=O)NCCc2cccc(Cl)c2)n1 Cc1n[nH]c(n1)[*:1] O=C(NCCc1cccc(Cl)c1)[*:1]
C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCS1(=O)=O Clc1ccccc1[*:1] C[C@H](CC(=O)N(C)C[*:1])[NH2+]C[C@@H]1CCCS1(=O)=O
C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCS1(=O)=O Clc1ccccc1C[*:1] C[C@H](CC(=O)N(C)[*:1])[NH2+]C[C@@H]1CCCS1(=O)=O
CSC[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C CSC[C@H](C)[*:1] Cc1cccc(O[C@H](C)C(=O)NNC(=O)[*:1])c1C
CSC[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C CSC[*:1] Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)[*:1])c1C
CCCCCC[C@H](O)c1cscc1C CCC[*:1] Cc1cscc1[C@@H](O)CCC[*:1]
CCCCCC[C@H](O)c1cscc1C CCCC[*:1] Cc1cscc1[C@@H](O)CC[*:1]
O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1ccc([N+](=O)[O-])s1 Clc1cc(c(Cl)s1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(s1)[N+](=O)[O-]
O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(Nc1nnc(o1)-c1cc(Cl)sc1Cl)c1ccc(s1)[*:1]
Cc1ccc(OCC(=O)Nc2nn(C)c3c2[C@H](c2ccco2)CC(=O)N3)cc1 Cc1ccc(cc1)[*:1] Cn1nc(NC(=O)CO[*:1])c2c1NC(=O)C[C@H]2c1ccco1
Cc1ccc(OCC(=O)Nc2nn(C)c3c2[C@H](c2ccco2)CC(=O)N3)cc1 Cc1ccc(cc1)OC[*:1] Cn1nc(NC(=O)[*:1])c2c1NC(=O)C[C@H]2c1ccco1
Cc1ccc(OCC(=O)Nc2nn(C)c3c2[C@H](c2ccco2)CC(=O)N3)cc1 Cc1ccc(cc1)O[*:1] Cn1nc(NC(=O)C[*:1])c2c1NC(=O)C[C@H]2c1ccco1
Cc1ccc(OCC(=O)Nc2nn(C)c3c2[C@H](c2ccco2)CC(=O)N3)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)OCC(=O)Nc1nn(C)c2NC(=O)C[C@@H](c12)[*:1]
CN(Cc1ccncc1)C(=O)CCNS(C)(=O)=O CS(=O)(=O)N[*:1] CN(Cc1ccncc1)C(=O)CC[*:1]
CN(Cc1ccncc1)C(=O)CCNS(C)(=O)=O CS(=O)(=O)NC[*:1] CN(Cc1ccncc1)C(=O)C[*:1]
CN(Cc1ccncc1)C(=O)CCNS(C)(=O)=O c1cc(ccn1)[*:1] CN(C[*:1])C(=O)CCNS(C)(=O)=O
Cc1ccc(OCCSCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)OCCSCc1cc(cc2COCOc21)[*:1]
Cc1ccc(OCCSCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 Cc1ccc(cc1)O[*:1] O=[N+]([O-])c1cc2COCOc2c(c1)CSCC[*:1]
Cc1ccc(OCCSCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1cc2COCOc2c(c1)CSCCO[*:1]
CCc1cccc(C)c1NC(=O)c1[nH]c(C)c(C(C)=O)c1C CC(=O)[*:1] CCc1cccc(C)c1NC(=O)c1[nH]c(C)c(c1C)[*:1]
Cc1cc(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)on1 Cc1cc(on1)[*:1] O=C1CCC2(CC[NH+](CC2)C[*:1])CN1CCc1ccncc1
Cc1cc(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)on1 c1cc(ccn1)CC[*:1] Cc1cc(C[NH+]2CCC3(CCC(=O)N(C3)[*:1])CC2)on1
Cc1cc(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)on1 c1cc(ccn1)[*:1] Cc1cc(C[NH+]2CCC3(CCC(=O)N(CC[*:1])C3)CC2)on1
Cc1cc(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)on1 Cc1cc(C[*:1])on1 O=C1CCC2(CC[NH+](CC2)[*:1])CN1CCc1ccncc1
Cc1cc(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)on1 c1cc(ccn1)C[*:1] Cc1cc(C[NH+]2CCC3(CCC(=O)N(C3)C[*:1])CC2)on1
COc1cccc([C@@H](C)CC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1 O=C(C[*:1])c1ccccc1 COc1cccc(c1)[C@@H](C)CC(=O)N1CCC[C@H]1[*:1]
COc1cccc([C@@H](C)CC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1 O=C(c1ccccc1)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)N1CCC[C@@H]1C[*:1]
COc1cccc([C@@H](C)CC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)N1CCC[C@@H]1CC(=O)[*:1]
COc1cccc([C@@H](C)CC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1 COc1cccc(c1)[*:1] C[C@@H](CC(=O)N1CCC[C@@H]1CC(=O)c1ccccc1)[*:1]
CCOc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1[*:1]
CCOc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccccc2)cc1 CCO[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2)N1c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccccc2)cc1 CCOc1ccc(cc1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2)N1[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)c(F)c1 CC(=O)[*:1] O=C1CC[C@@H](N1)C(=O)N1CCN(CC1)c1ccc(cc1F)[*:1]
Cc1[nH+]cn(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] Cc1[nH+]cn(C[C@@H](C)[NH2+]C[C@H](O)[*:1])c1C
O=C(NC[C@H](O)c1c(F)cccc1F)C(=O)Nc1cccnc1 c1cncc(c1)[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)C(=O)N[*:1]
CCc1nn(C)c(NC(=O)NCc2ccccc2Cn2cccn2)c1CC c1cnn(c1)[*:1] CCc1nn(C)c(NC(=O)NCc2ccccc2C[*:1])c1CC
CCc1nn(C)c(NC(=O)NCc2ccccc2Cn2cccn2)c1CC c1cnn(c1)C[*:1] CCc1nn(C)c(NC(=O)NCc2ccccc2[*:1])c1CC
Cc1cc(F)ccc1NC(=O)C[C@H](NC(N)=O)c1cccs1 c1csc(c1)[*:1] Cc1cc(F)ccc1NC(=O)C[C@H](NC(N)=O)[*:1]
Cc1cc(F)ccc1NC(=O)C[C@H](NC(N)=O)c1cccs1 NC(=O)N[*:1] Cc1cc(F)ccc1NC(=O)C[C@H](c1cccs1)[*:1]
Nc1nc(-c2ccccc2)nc2oc(-c3ccccc3)nc12 c1ccc(cc1)[*:1] Nc1nc(nc2oc(nc12)-c1ccccc1)[*:1]
Nc1nc(-c2ccccc2)nc2oc(-c3ccccc3)nc12 c1ccc(cc1)[*:1] Nc1nc(nc2oc(nc12)[*:1])-c1ccccc1
NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccncc2)CC(O)=N3)CC1 NC(=O)C1CCN(CC1)[*:1] O=c1[nH]c(nc2N=C(O)C[C@@H](c3ccncc3)c21)[*:1]
NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccncc2)CC(O)=N3)CC1 NC(=O)[*:1] O=c1[nH]c(nc2N=C(O)C[C@@H](c3ccncc3)c21)N1CCC(CC1)[*:1]
NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccncc2)CC(O)=N3)CC1 c1cc(ccn1)[*:1] NC(=O)C1CCN(CC1)c1nc2N=C(O)C[C@@H](c2c(=O)[nH]1)[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)C(C)(C)Cc1cccc(Cl)c1 CCS(=O)(=O)C[*:1] C[C@@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)C(C)(C)Cc1cccc(Cl)c1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)C(C)(C)Cc1cccc(Cl)c1
CCS(=O)(=O)C[C@@H](C)NC(=O)C(C)(C)Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCS(=O)(=O)C[C@@H](C)NC(=O)C(C)(C)C[*:1]
Cc1ccc(C)c(NC(=O)C(=O)NCC2CCN(c3ncccn3)CC2)c1 c1cnc(nc1)[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)NCC1CCN(CC1)[*:1]
Cc1ccc(C)c(NC(=O)C(=O)NCC2CCN(c3ncccn3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCC1CCN(CC1)c1ncccn1)C(=O)N[*:1]
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N2CCO[C@H](C)C2)c1 CC[C@@H](C)[*:1] C[C@@H]1CN(CCO1)C(=O)NCc1cccc(c1)NC(=O)[*:1]
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N2CCO[C@H](C)C2)c1 CC[C@@H](C)C(=O)N[*:1] C[C@@H]1CN(CCO1)C(=O)NCc1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1CC(=CC(=O)NCC#N)C1 CC(C)(C)[*:1] N#CCNC(=O)C=C1CN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CC(=CC(=O)NCC#N)C1 N#CCNC(=O)[*:1] CC(C)(C)OC(=O)N1CC(=C[*:1])C1
CC(C)(C)OC(=O)N1CC(=CC(=O)NCC#N)C1 N#CC[*:1] CC(C)(C)OC(=O)N1CC(=CC(=O)N[*:1])C1
COc1cccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)N(CC(C)C)C(=O)C(C)(C)CO4)CC2=O)c1 CC(C)C[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)Nc1ccc2OCC(C)(C)C(=O)N(c2c1)[*:1]
COc1cccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)N(CC(C)C)C(=O)C(C)(C)CO4)CC2=O)c1 CC(C)[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)Nc1ccc2OCC(C)(C)C(=O)N(C[*:1])c2c1
COc1cccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)N(CC(C)C)C(=O)C(C)(C)CO4)CC2=O)c1 COc1cccc(c1)[*:1] CC(C)CN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C1N(Cc2c(F)cccc2Cl)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 Fc1cccc(Cl)c1[*:1] O=C1N(C[*:1])[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1
O=C1N(Cc2c(F)cccc2Cl)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1N(Cc2c(F)cccc2Cl)[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
O=C1N(Cc2c(F)cccc2Cl)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 Fc1cccc(Cl)c1C[*:1] O=C1N(c2ccc(F)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CCSc1nc(N2CCCC2)c2cnn(CCNC(=O)[C@@H](C)Cl)c2n1 C[C@@H](Cl)C(=O)NCC[*:1] CCSc1nc(c2cnn(c2n1)[*:1])N1CCCC1
CCSc1nc(N2CCCC2)c2cnn(CCNC(=O)[C@@H](C)Cl)c2n1 CCS[*:1] C[C@@H](Cl)C(=O)NCCn1ncc2c(nc(nc21)[*:1])N1CCCC1
CCSc1nc(N2CCCC2)c2cnn(CCNC(=O)[C@@H](C)Cl)c2n1 C[C@@H](Cl)C(=O)N[*:1] CCSc1nc(c2cnn(CC[*:1])c2n1)N1CCCC1
CCSc1nc(N2CCCC2)c2cnn(CCNC(=O)[C@@H](C)Cl)c2n1 C1CCN(C1)[*:1] CCSc1nc(c2cnn(CCNC(=O)[C@@H](C)Cl)c2n1)[*:1]
CC(C)[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)O CC(C)[*:1] CC(C)(O)C[NH+](CCn1cc(ccc1=O)[N+](=O)[O-])[*:1]
CC(C)[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)O O=[N+]([O-])[*:1] CC(C)[NH+](CCn1cc(ccc1=O)[*:1])CC(C)(C)O
CC(C)[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)O CC(C)(O)C[*:1] CC(C)[NH+](CCn1cc(ccc1=O)[N+](=O)[O-])[*:1]
CC(C)[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)O CC(C)(O)[*:1] CC(C)[NH+](CCn1cc(ccc1=O)[N+](=O)[O-])C[*:1]
CNC(=O)c1ccc(CNC(=O)NCC(C)(C)[NH+](C)C)cc1 CNC(=O)[*:1] C[NH+](C)C(C)(C)CNC(=O)NCc1ccc(cc1)[*:1]
C[C@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)N1C(=O)c2ccccc2C1=O CS(=O)(=O)[*:1] C[C@H](C(=O)Nc1nc2ccc(cc2s1)[*:1])N1C(=O)c2ccccc2C1=O
NC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CCN(C(=O)C4CCC4)CC3)no2)C1 C1CC(C1)[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)c1cc(no1)C1CCN(CC1)C(=O)[*:1]
NC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CCN(C(=O)C4CCC4)CC3)no2)C1 NC(=O)[*:1] O=C(c1cc(no1)C1CCN(CC1)C(=O)C1CCC1)N1CCC[C@H](C1)[*:1]
Cc1cc(N2CCC([NH+](C)CCOc3cccc(F)c3)CC2)nc(C)[nH+]1 Fc1cccc(c1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)CCO[*:1]
Cc1cc(N2CCC([NH+](C)CCOc3cccc(F)c3)CC2)nc(C)[nH+]1 Cc1cc(nc(C)[nH+]1)[*:1] C[NH+](CCOc1cccc(F)c1)C1CCN(CC1)[*:1]
Cc1cc(N2CCC([NH+](C)CCOc3cccc(F)c3)CC2)nc(C)[nH+]1 Fc1cccc(c1)O[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)CC[*:1]
Cc1ccncc1NC(=O)N1CCN(CCOC(C)C)CC1 CC(C)OCC[*:1] Cc1ccncc1NC(=O)N1CCN(CC1)[*:1]
Cc1ccncc1NC(=O)N1CCN(CCOC(C)C)CC1 CC(C)OC[*:1] Cc1ccncc1NC(=O)N1CCN(CC1)C[*:1]
Cc1ccncc1NC(=O)N1CCN(CCOC(C)C)CC1 CC(C)O[*:1] Cc1ccncc1NC(=O)N1CCN(CC1)CC[*:1]
Cc1ccncc1NC(=O)N1CCN(CCOC(C)C)CC1 Cc1ccncc1[*:1] CC(C)OCCN1CCN(CC1)C(=O)N[*:1]
Cc1ccncc1NC(=O)N1CCN(CCOC(C)C)CC1 CC(C)[*:1] Cc1ccncc1NC(=O)N1CCN(CCO[*:1])CC1
CSCC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 CSC[*:1] C[C@H](C[*:1])NC(=O)N[C@H]1CC(=O)N(C1)C1CC1
CSCC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CSCC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(C1)[*:1]
CSCC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 CSCC[*:1] C[C@@H](NC(=O)N[C@H]1CC(=O)N(C1)C1CC1)[*:1]
CSCC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 CSCC[C@@H](C)[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)N[*:1]
Cc1cc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)no1 Cc1cc(no1)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N[*:1]
CC(C)c1noc(CCNc2ccccc2[N+](=O)[O-])n1 CC(C)[*:1] O=[N+]([O-])c1ccccc1NCCc1nc(no1)[*:1]
CC(C)c1noc(CCNc2ccccc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] CC(C)c1noc(CCNc2ccccc2[*:1])n1
CN(c1ncnc2sccc12)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CN(c1ncnc2sccc12)C1CCN(CC1)[*:1]
COCCCCC(=O)NN1Cc2ccccc2C1 COCC[*:1] O=C(CC[*:1])NN1Cc2ccccc2C1
COCCCCC(=O)NN1Cc2ccccc2C1 COC[*:1] O=C(CCC[*:1])NN1Cc2ccccc2C1
COCCCCC(=O)NN1Cc2ccccc2C1 COCCC[*:1] O=C(C[*:1])NN1Cc2ccccc2C1
COCCCCC(=O)NN1Cc2ccccc2C1 COCCCC[*:1] O=C(NN1Cc2ccccc2C1)[*:1]
C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1=O C1CCC(C1)[*:1] C=CCNC(=O)c1cn(cc(C(=O)N2CCC[C@@H](CC2)c2ccccc2)c1=O)[*:1]
C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1=O c1ccc(cc1)[*:1] C=CCNC(=O)c1cn(cc(C(=O)N2CCC[C@H](CC2)[*:1])c1=O)C1CCCC1
C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1=O C=CC[*:1] O=C(N[*:1])c1cn(cc(C(=O)N2CCC[C@@H](CC2)c2ccccc2)c1=O)C1CCCC1
C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1=O C=CCNC(=O)[*:1] O=C(c1cn(cc(c1=O)[*:1])C1CCCC1)N1CCC[C@@H](CC1)c1ccccc1
CC(C)CCNC(=O)CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2C1 CC(C)CC[*:1] O=C(CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2C1)N[*:1]
CC(C)CCNC(=O)CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2C1 CC(C)[*:1] O=C(CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2C1)NCC[*:1]
CC(C)CCNC(=O)CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2C1 CC(C)CCNC(=O)C[*:1] O=C(NCC[*:1])N1CCC2=c3ccccc3=[NH+][C@H]2C1
CC(C)CCNC(=O)CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2C1 CC(C)C[*:1] O=C(CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2C1)NC[*:1]
CC(C)CCNC(=O)CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2C1 CC(C)CCNC(=O)[*:1] O=C(NCCC[*:1])N1CCC2=c3ccccc3=[NH+][C@H]2C1
CCCCC[C@@H]1C(=N)NC(=O)N1CCOC COCC[*:1] CCCCC[C@@H]1C(=N)NC(=O)N1[*:1]
CCCCC[C@@H]1C(=N)NC(=O)N1CCOC CCCCC[*:1] COCCN1C(=O)NC(=N)[C@H]1[*:1]
CCCCC[C@@H]1C(=N)NC(=O)N1CCOC COC[*:1] CCCCC[C@@H]1C(=N)NC(=O)N1C[*:1]
CCCCC[C@@H]1C(=N)NC(=O)N1CCOC CCCC[*:1] COCCN1C(=O)NC(=N)[C@H]1C[*:1]
CCCCC[C@@H]1C(=N)NC(=O)N1CCOC CCC[*:1] COCCN1C(=O)NC(=N)[C@H]1CC[*:1]
O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] O=C(CCn1cnc2sc3CCCCc3c2c1=O)N[*:1]
CC[NH2+][C@]1(C(=O)[O-])CC[C@H](OCC)C1 CCO[*:1] CC[NH2+][C@@]1(CC[C@H](C1)[*:1])C(=O)[O-]
CC[NH2+][C@]1(C(=O)[O-])CC[C@H](OCC)C1 O=C([O-])[*:1] CC[NH2+][C@@]1(CC[C@@H](C1)OCC)[*:1]
C[C@H](S[C@H](C)[C@@H](C)O)C(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](S[C@H](C)[C@@H](C)O)C(=O)Nc1ccccc1O[*:1]
C[C@H](S[C@H](C)[C@@H](C)O)C(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](S[C@H](C)[C@@H](C)O)C(=O)Nc1ccccc1[*:1]
C[C@H](S[C@H](C)[C@@H](C)O)C(=O)Nc1ccccc1Oc1ccccc1 C[C@@H](O)[*:1] C[C@H](S[C@H](C)[*:1])C(=O)Nc1ccccc1Oc1ccccc1
C[NH2+]Cc1cc(F)c(OCc2cccs2)c(F)c1 c1csc(c1)[*:1] C[NH2+]Cc1cc(F)c(OC[*:1])c(F)c1
C[NH2+]Cc1cc(F)c(OCc2cccs2)c(F)c1 c1csc(c1)C[*:1] C[NH2+]Cc1cc(F)c(O[*:1])c(F)c1
CCCc1nnc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)s1 CCC[*:1] O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1nnc(s1)[*:1]
C[C@H](NCc1ccnc(OCC(F)F)c1)c1nccs1 c1csc(n1)[*:1] C[C@H](NCc1ccnc(c1)OCC(F)F)[*:1]
C[C@H](NCc1ccnc(OCC(F)F)c1)c1nccs1 FC(F)CO[*:1] C[C@H](NCc1ccnc(c1)[*:1])c1nccs1
C[C@H](NCc1ccnc(OCC(F)F)c1)c1nccs1 FC(F)C[*:1] C[C@H](NCc1ccnc(c1)O[*:1])c1nccs1
C[C@H](NCc1ccnc(OCC(F)F)c1)c1nccs1 FC(F)[*:1] C[C@H](NCc1ccnc(c1)OC[*:1])c1nccs1
CCCn1c(Cn2nc(-c3ccco3)oc2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 CCC[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)nc(Cn1nc(oc1=O)-c1ccco1)n2[*:1]
CCCn1c(Cn2nc(-c3ccco3)oc2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] CCCn1c(Cn2nc(oc2=O)-c2ccco2)nc2cc(ccc21)[*:1]
CCCn1c(Cn2nc(-c3ccco3)oc2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 c1coc(c1)[*:1] CCCn1c(Cn2nc(oc2=O)[*:1])nc2cc(ccc21)S(=O)(=O)N(C)C
C=CCn1c(SCC(=O)N2CCCC[C@@H]2C)nc2ccccc2c1=O C=CC[*:1] C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
COc1ccc([C@@H](CNC(=O)c2sc(-c3ccsc3)nc2C)[NH+]2CCCC2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1sc(nc1C)[*:1])[NH+]1CCCC1
COc1ccc([C@@H](CNC(=O)c2sc(-c3ccsc3)nc2C)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NC[C@@H]([NH+]1CCCC1)[*:1])-c1ccsc1
O=C(CCCOc1ccccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 Clc1ccccc1O[*:1] O=C(CCC[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
O=C(CCCOc1ccccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 Clc1ccccc1[*:1] O=C(CCCO[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(N)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)COc1ccc(Br)cc1C=C(C#N)[*:1]
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(N)=O)cc1 N#CC(=C[*:1])C(N)=O Cc1ccc(cc1)COc1ccc(Br)cc1[*:1]
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(N)=O)cc1 Cc1ccc(cc1)[*:1] N#C/C(=C\c1cc(Br)ccc1OC[*:1])C(N)=O
Cn1c(-c2ccccc2)c(C(=O)[O-])c2ccccc21 O=C([O-])[*:1] Cn1c(-c2ccccc2)c(c2ccccc21)[*:1]
Cn1c(-c2ccccc2)c(C(=O)[O-])c2ccccc21 c1ccc(cc1)[*:1] Cn1c(c(C(=O)[O-])c2ccccc21)[*:1]
C[S@](=O)c1ccc(NC(=O)N(CCC#N)CC2CC2)cc1F C1CC1[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)N(CCC#N)C[*:1]
C[S@](=O)c1ccc(NC(=O)N(CCC#N)CC2CC2)cc1F C1CC1C[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)N(CCC#N)[*:1]
C[S@](=O)c1ccc(NC(=O)N(CCC#N)CC2CC2)cc1F N#CC[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)N(CC1CC1)C[*:1]
C[S@](=O)c1ccc(NC(=O)N(CCC#N)CC2CC2)cc1F N#CCC[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)N(CC1CC1)[*:1]
Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CC[NH+](Cc4cnn(C)c4)CC3)c12 Cn1cc(cn1)C[*:1] Cc1c(C)n(c2ncnc(OC3CC[NH+](CC3)[*:1])c12)C1CCCCC1
Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CC[NH+](Cc4cnn(C)c4)CC3)c12 C1CCC(CC1)[*:1] Cc1c(C)n(c2ncnc(OC3CC[NH+](CC3)Cc3cnn(C)c3)c12)[*:1]
Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CC[NH+](Cc4cnn(C)c4)CC3)c12 Cn1cc(cn1)[*:1] Cc1c(C)n(c2ncnc(OC3CC[NH+](CC3)C[*:1])c12)C1CCCCC1
CC(=O)NCCNC(=O)Cc1c(C)noc1C CC(=O)N[*:1] Cc1noc(C)c1CC(=O)NCC[*:1]
CC(=O)NCCNC(=O)Cc1c(C)noc1C CC(=O)NC[*:1] Cc1noc(C)c1CC(=O)NC[*:1]
Cc1noc(-c2ccnc(NCc3cccc(-n4cccn4)c3)c2)n1 Cc1noc(n1)[*:1] c1cc(cc(c1)-n1cccn1)CNc1cc(ccn1)[*:1]
Cc1noc(-c2ccnc(NCc3cccc(-n4cccn4)c3)c2)n1 c1cnn(c1)[*:1] Cc1noc(n1)-c1ccnc(c1)NCc1cccc(c1)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)CCC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)CCC(=O)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)CCC(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)CC[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)CCC(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)CCC(=O)c2ccccc2)n(n1)[*:1]
O=C(NCC1CCCCC1)[C@@H]1CCCN1C(=O)c1cc2scnc2[nH]1 C1CCC(CC1)C[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1cc2scnc2[nH]1
O=C(NCC1CCCCC1)[C@@H]1CCCN1C(=O)c1cc2scnc2[nH]1 C1CCC(CC1)[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)c1cc2scnc2[nH]1
COc1ccc(CC(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2OC)cc1 COc1ccc(cc1)C[*:1] COc1ccc2nc(cn2n1)-c1ccc(OC)c(c1)NC(=O)[*:1]
COc1ccc(CC(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccc2nc(cn2n1)-c1ccc(OC)c(c1)NC(=O)C[*:1]
C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Br)s2)o1 Fc1ccc(cc1)[*:1] C[C@@H](O[*:1])c1nnc(o1)SCC(=O)c1ccc(Br)s1
C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Br)s2)o1 Brc1ccc(s1)[*:1] C[C@@H](Oc1ccc(F)cc1)c1nnc(o1)SCC(=O)[*:1]
C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Br)s2)o1 O=C(c1ccc(Br)s1)[*:1] C[C@@H](Oc1ccc(F)cc1)c1nnc(o1)SC[*:1]
C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Br)s2)o1 Fc1ccc(cc1)O[*:1] C[C@@H](c1nnc(o1)SCC(=O)c1ccc(Br)s1)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cc(Cl)nc(N3CCCC3)c2)C1 C1CCN(C1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1cc(Cl)nc(c1)[*:1]
COc1cccc([C@H]2CN(Cc3cccc(-c4ccccn4)c3)CCO2)c1 COc1cccc(c1)[*:1] c1ccc(nc1)-c1cccc(c1)CN1CCO[C@H](C1)[*:1]
COc1cccc([C@H]2CN(Cc3cccc(-c4ccccn4)c3)CCO2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)[C@H]1CN(CCO1)Cc1cccc(c1)[*:1]
CC(C)(C)c1ccc(COc2coc(CO)cc2=O)cc1 CC(C)(C)[*:1] O=c1cc(CO)occ1OCc1ccc(cc1)[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccc(OC(F)F)cc1)C(N)=O FC(F)[*:1] CC[C@@H](C)[C@@H](NC(=O)c1ccc(cc1)O[*:1])C(N)=O
CC[C@@H](C)[C@@H](NC(=O)c1ccc(OC(F)F)cc1)C(N)=O FC(F)O[*:1] CC[C@@H](C)[C@@H](NC(=O)c1ccc(cc1)[*:1])C(N)=O
CC[C@@H](C)[C@@H](NC(=O)c1ccc(OC(F)F)cc1)C(N)=O CC[C@@H](C)[*:1] NC(=O)[C@H](NC(=O)c1ccc(cc1)OC(F)F)[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccc(OC(F)F)cc1)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@@H](NC(=O)c1ccc(cc1)OC(F)F)[*:1]
CCCc1nc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cs1 C1CCC(C1)[*:1] CCCc1nc(cs1)CSc1nc2ccccc2c(=O)n1[*:1]
CCCc1nc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cs1 CCC[*:1] O=c1c2ccccc2nc(SCc2csc(n2)[*:1])n1C1CCCC1
CCCc1nc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cs1 CCCc1nc(cs1)[*:1] O=c1c2ccccc2nc(SC[*:1])n1C1CCCC1
COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2C)c1C Cc1ccccc1NC(=O)[*:1] COC(=O)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])sc(c1C)[*:1]
COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2C)c1C Cc1ccccc1[*:1] COC(=O)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])sc(C(=O)N[*:1])c1C
COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2C)c1C COC(=O)[*:1] Cc1ccccc1NC(=O)c1sc(NC(=O)c2cccc(c2)[N+](=O)[O-])c(c1C)[*:1]
COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2C)c1C O=[N+]([O-])c1cccc(c1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)Nc2ccccc2C)c1C
COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2C)c1C O=[N+]([O-])[*:1] COC(=O)c1c(NC(=O)c2cccc(c2)[*:1])sc(C(=O)Nc2ccccc2C)c1C
C[C@H](OC(=O)c1cc(C#N)cs1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)c1cc(C#N)cs1)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)c1ccsc1 c1cc(cs1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NC[C@@H](C)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)c1ccsc1 C[C@@H](c1ccsc1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NC[*:1]
CC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 c1ccc(cc1)[*:1] CC(=O)[C@@H](C)Sc1nc2sc3CCCCc3c2c(=O)n1[*:1]
CC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 CC(=O)[*:1] C[C@@H](Sc1nc2sc3CCCCc3c2c(=O)n1-c1ccccc1)[*:1]
CCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccc(Br)cc2)C1=O CCCC[*:1] O=C1CN(C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccc(Br)cc3)N12)[*:1]
CCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccc(Br)cc2)C1=O CCC[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccc(Br)cc3)N2C(=O)CN1C[*:1]
CCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccc(Br)cc2)C1=O Brc1ccc(cc1)[*:1] CCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2[*:1])C1=O
Cc1ccc(N2C(=O)S/C(=C\c3ccccc3C)C2=O)c(C)c1 Cc1ccccc1[*:1] Cc1ccc(c(C)c1)N1C(=O)SC(=C[*:1])C1=O
CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC(C)(C)C)cc2)C1 CC(C)(C)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)O[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC(C)(C)C)cc2)C1 CC(C)(C)O[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC(C)(C)C)cc2)C1 CCC[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC(C)(C)C)cc2)C1 CCCNC(=O)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1]
CC(=O)Nc1nc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cs1 CC(=O)N[*:1] O=C(NC1CCN(CC1)C(=O)C1CCCCC1)c1csc(n1)[*:1]
CC(=O)Nc1nc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cs1 C1CCC(CC1)[*:1] CC(=O)Nc1nc(cs1)C(=O)NC1CCN(CC1)C(=O)[*:1]
COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 O=C(N1CCCCCC1)[*:1] COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 COc1ccccc1O[*:1] C[C@@H](C(=O)Nc1ccc(cc1)C(=O)N1CCCCCC1)[*:1]
COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 COc1ccccc1[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cc1)C(=O)N1CCCCCC1
COc1cc(C#N)ccc1Oc1nc(C)c(C(=O)[O-])s1 O=C([O-])[*:1] COc1cc(C#N)ccc1Oc1nc(C)c(s1)[*:1]
CC[C@@H](C)[C@@H]1C[NH+]=C(N)N1CC[NH+](CC)CC CC[C@@H](C)[*:1] CC[NH+](CC)CCN1C(N)=[NH+]C[C@H]1[*:1]
CC(=O)c1ccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 CC(=O)[*:1] C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc(cc1)[*:1]
COc1ccc(C)cc1NC(=O)c1ccccc1OC(C)=O CC(=O)O[*:1] COc1ccc(C)cc1NC(=O)c1ccccc1[*:1]
O=C(N[C@H]1CCc2cc(F)ccc21)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] O=C(N[C@H]1CCc2cc(F)ccc21)[C@@H]1CCCN(C1)C(=O)N[*:1]
C[C@H](O)C[C@@H]1CCCN1C(=O)c1cccc(C(=O)OC(C)(C)C)c1 C[C@H](O)C[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)N1CCC[C@H]1[*:1]
C[C@H](O)C[C@@H]1CCCN1C(=O)c1cccc(C(=O)OC(C)(C)C)c1 C[C@H](O)[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C[*:1]
C[C@H](O)C[C@@H]1CCCN1C(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] C[C@H](O)C[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)O[*:1]
C[C@H](O)C[C@@H]1CCCN1C(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)OC(=O)[*:1] C[C@H](O)C[C@@H]1CCCN1C(=O)c1cccc(c1)[*:1]
COc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C COc1ccc(F)cc1[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)N[*:1])c1cccc(F)c1
COc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C Fc1cccc(c1)[*:1] COc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CSc1ccc(C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)cc1 CSc1ccc(cc1)[*:1] CN(C)C(=O)N1CCn2nc(cc2C1)CNC(=O)[*:1]
CC(C)[C@H](NC(=O)C(=O)Nc1cccnc1Cl)C(=O)N1CCCC1 CC(C)[*:1] O=C(Nc1cccnc1Cl)C(=O)N[C@H](C(=O)N1CCCC1)[*:1]
CC(C)[C@H](NC(=O)C(=O)Nc1cccnc1Cl)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](NC(=O)C(=O)Nc1cccnc1Cl)[*:1]
CC(C)[C@H](NC(=O)C(=O)Nc1cccnc1Cl)C(=O)N1CCCC1 Clc1ncccc1[*:1] CC(C)[C@H](NC(=O)C(=O)N[*:1])C(=O)N1CCCC1
OC(C#CC[N+]1(Cc2ccccc2Cl)CCCCC1)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] OC(C#CC[N+]1(CCCCC1)Cc1ccccc1Cl)(c1ccccc1)[*:1]
OC(C#CC[N+]1(Cc2ccccc2Cl)CCCCC1)(c1ccccc1)c1ccccc1 Clc1ccccc1C[*:1] OC(C#CC[N+]1(CCCCC1)[*:1])(c1ccccc1)c1ccccc1
OC(C#CC[N+]1(Cc2ccccc2Cl)CCCCC1)(c1ccccc1)c1ccccc1 Clc1ccccc1[*:1] OC(C#CC[N+]1(CCCCC1)C[*:1])(c1ccccc1)c1ccccc1
CC(C)CN1CCO[C@@H](CNC(=O)NCc2nc(-c3cccs3)n[nH]2)C1 CC(C)[*:1] O=C(NCc1nc(n[nH]1)-c1cccs1)NC[C@H]1CN(CCO1)C[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)NCc2nc(-c3cccs3)n[nH]2)C1 CC(C)C[*:1] O=C(NCc1nc(n[nH]1)-c1cccs1)NC[C@H]1CN(CCO1)[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)NCc2nc(-c3cccs3)n[nH]2)C1 c1csc(c1)[*:1] CC(C)CN1CCO[C@@H](CNC(=O)NCc2nc(n[nH]2)[*:1])C1
O=C(Cn1c(CCNC(=O)c2cccc(Br)c2)nc2ccccc21)c1ccccc1 O=C(N[*:1])c1cccc(Br)c1 O=C(Cn1c(CC[*:1])nc2ccccc21)c1ccccc1
O=C(Cn1c(CCNC(=O)c2cccc(Br)c2)nc2ccccc21)c1ccccc1 Brc1cccc(c1)[*:1] O=C(Cn1c(CCNC(=O)[*:1])nc2ccccc21)c1ccccc1
O=C(Cn1c(CCNC(=O)c2cccc(Br)c2)nc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1nc2ccccc2n1CC(=O)[*:1])c1cccc(Br)c1
O=C(Cn1c(CCNC(=O)c2cccc(Br)c2)nc2ccccc21)c1ccccc1 O=C(C[*:1])c1ccccc1 O=C(NCCc1nc2ccccc2n1[*:1])c1cccc(Br)c1
O=C(Cn1c(CCNC(=O)c2cccc(Br)c2)nc2ccccc21)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])c1cccc(Br)c1
Cc1occc1C(=O)Nc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] Cc1occc1C(=O)Nc1ccccc1[*:1]
Cc1occc1C(=O)Nc1ccccc1N1CCCCC1 Cc1occc1[*:1] O=C(Nc1ccccc1N1CCCCC1)[*:1]
CN(Cc1nccn1CC(F)(F)F)C(=O)c1cccs1 c1csc(c1)[*:1] CN(Cc1nccn1CC(F)(F)F)C(=O)[*:1]
CN(Cc1nccn1CC(F)(F)F)C(=O)c1cccs1 FC(F)(F)[*:1] CN(Cc1nccn1C[*:1])C(=O)c1cccs1
CN(Cc1nccn1CC(F)(F)F)C(=O)c1cccs1 FC(F)(F)C[*:1] CN(Cc1nccn1[*:1])C(=O)c1cccs1
CC(=O)O/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 CC(=O)ON=C[*:1] O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(o1)[*:1]
CC(=O)O/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 O=[N+]([O-])[*:1] CC(=O)O/N=C/c1ccc(o1)-c1ccc(Cl)cc1[*:1]
CC(C)Oc1ccc(C(=O)N2CCOc3ccc([C@@](C)(O)CCn4cccn4)cc3C2)cc1 CC(C)[*:1] C[C@](O)(CCn1cccn1)c1ccc2OCCN(Cc2c1)C(=O)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C(=O)N2CCOc3ccc([C@@](C)(O)CCn4cccn4)cc3C2)cc1 CC(C)O[*:1] C[C@](O)(CCn1cccn1)c1ccc2OCCN(Cc2c1)C(=O)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)N2CCOc3ccc([C@@](C)(O)CCn4cccn4)cc3C2)cc1 c1cnn(c1)CC[*:1] CC(C)Oc1ccc(cc1)C(=O)N1CCOc2ccc(cc2C1)[C@@](C)(O)[*:1]
CC(C)Oc1ccc(C(=O)N2CCOc3ccc([C@@](C)(O)CCn4cccn4)cc3C2)cc1 CC(C)Oc1ccc(cc1)[*:1] C[C@](O)(CCn1cccn1)c1ccc2OCCN(Cc2c1)C(=O)[*:1]
CC(C)Oc1ccc(C(=O)N2CCOc3ccc([C@@](C)(O)CCn4cccn4)cc3C2)cc1 c1cnn(c1)C[*:1] CC(C)Oc1ccc(cc1)C(=O)N1CCOc2ccc(cc2C1)[C@@](C)(O)C[*:1]
CC(C)Oc1ccc(C(=O)N2CCOc3ccc([C@@](C)(O)CCn4cccn4)cc3C2)cc1 c1cnn(c1)[*:1] CC(C)Oc1ccc(cc1)C(=O)N1CCOc2ccc(cc2C1)[C@@](C)(O)CC[*:1]
CCCCN(C)c1ncnc(-n2nc(C)cc2C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCCN(C)c1ncnc(c1[*:1])-n1nc(C)cc1C
CCCCN(C)c1ncnc(-n2nc(C)cc2C)c1[N+](=O)[O-] CCC[*:1] Cc1cc(C)n(n1)-c1ncnc(c1[N+](=O)[O-])N(C)C[*:1]
CCCCN(C)c1ncnc(-n2nc(C)cc2C)c1[N+](=O)[O-] CCCC[*:1] Cc1cc(C)n(n1)-c1ncnc(c1[N+](=O)[O-])N(C)[*:1]
CCCCN(C)c1ncnc(-n2nc(C)cc2C)c1[N+](=O)[O-] Cc1cc(C)n(n1)[*:1] CCCCN(C)c1ncnc(c1[N+](=O)[O-])[*:1]
CCCCN(C)c1ncnc(-n2nc(C)cc2C)c1[N+](=O)[O-] CCCCN(C)[*:1] Cc1cc(C)n(n1)-c1ncnc(c1[N+](=O)[O-])[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1 O=C(N1CCOCC1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](COc2ccc(cc2)[*:1])C1
CC(C)(C)OC(=O)N1CCC[C@H](COc2ccc(C(=O)N3CCOCC3)cc2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](COc2ccc(cc2)C(=O)N2CCOCC2)C1
C[NH2+]C[C@@H](C)C(=O)NCCNC(=O)C(C)C CC(C)[*:1] C[NH2+]C[C@@H](C)C(=O)NCCNC(=O)[*:1]
COc1cccc2cc(C(=O)N3CCN(C(=O)[C@@H]4C[C@H]4c4ccc(F)cc4)CC3)oc12 Fc1ccc(cc1)[*:1] COc1cccc2cc(oc12)C(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
CCCn1c(C)nnc1S[C@@H]1CCCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] CCCn1c(C)nnc1S[C@@H]1CCCN(C1=O)[*:1]
CCCn1c(C)nnc1S[C@@H]1CCCN(CC(F)(F)F)C1=O CCC[*:1] Cc1nnc(S[C@@H]2CCCN(CC(F)(F)F)C2=O)n1[*:1]
CCCn1c(C)nnc1S[C@@H]1CCCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] CCCn1c(C)nnc1S[C@@H]1CCCN(C[*:1])C1=O
Cc1nnnn1-c1cccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 Cc1nnnn1[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)Nc1cccc(c1)[*:1]
Cc1cc2c(N[C@@H]3CC(=O)N(C(C)(C)C)C3)ncnc2s1 CC(C)(C)[*:1] Cc1cc2c(ncnc2s1)N[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)c1cc(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)oc1C FC(F)(F)[*:1] COC(=O)c1cc(CNC(=O)N[C@H]2CCC[C@@H](C2)[*:1])oc1C
COC(=O)c1cc(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)N[C@H]1CCC[C@H](C1)C(F)(F)F
O=C(NC1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc2cc[nH]c2c1)N1CCC(CC1)NC(=O)[*:1]
COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2nnc3ccccn23)cn1 COc1cc(C)ccc1[*:1] O=C(NCc1nnc2ccccn12)Nc1ccc(nc1)O[*:1]
COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2nnc3ccccn23)cn1 c1ccn2c(nnc2c1)[*:1] COc1cc(C)ccc1Oc1ccc(cn1)NC(=O)NC[*:1]
COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2nnc3ccccn23)cn1 COc1cc(C)ccc1O[*:1] O=C(NCc1nnc2ccccn12)Nc1ccc(nc1)[*:1]
COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2nnc3ccccn23)cn1 c1ccn2c(C[*:1])nnc2c1 COc1cc(C)ccc1Oc1ccc(cn1)NC(=O)N[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 O=C1CCCN1[*:1] CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(c1)[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)c1ccc(Cl)c(c1)N1CCCC1=O
CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 Clc1ccc(C[*:1])s1 CCN(C(=O)c1ccc(Cl)c(c1)N1CCCC1=O)[*:1]
NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1nccc2ccccc12 NC(=O)[*:1] O=C(c1nccc2ccccc12)N(Cc1ccc(Br)cc1)C[*:1]
NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1nccc2ccccc12 NC(=O)C[*:1] O=C(c1nccc2ccccc12)N(Cc1ccc(Br)cc1)[*:1]
NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1nccc2ccccc12 Brc1ccc(cc1)C[*:1] NC(=O)CN(C(=O)c1nccc2ccccc12)[*:1]
NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1nccc2ccccc12 Brc1ccc(cc1)[*:1] NC(=O)CN(C[*:1])C(=O)c1nccc2ccccc12
CS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl CS(=O)(=O)[*:1] O=C(c1ccc(Cl)c(c1)[*:1])N1CCN(CC1)Cc1ccccc1
CS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl c1ccc(cc1)[*:1] CS(=O)(=O)c1cc(ccc1Cl)C(=O)N1CCN(CC1)C[*:1]
CS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl c1ccc(cc1)C[*:1] CS(=O)(=O)c1cc(ccc1Cl)C(=O)N1CCN(CC1)[*:1]
CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2)CC1=O Clc1ccc(cc1)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)N[*:1]
CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2)CC1=O CCc1ccccc1[*:1] O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)[C@@](C)(NCC(=O)N[C@@H]1CCCC[C@H]1C)C1CC1 C[C@@H]1CCCC[C@H]1[*:1] COC(=O)[C@@](C)(NCC(=O)N[*:1])C1CC1
COC(=O)[C@@](C)(NCC(=O)N[C@@H]1CCCC[C@H]1C)C1CC1 C1CC1[*:1] COC(=O)[C@@](C)(NCC(=O)N[C@@H]1CCCC[C@H]1C)[*:1]
COC(=O)[C@@](C)(NCC(=O)N[C@@H]1CCCC[C@H]1C)C1CC1 COC(=O)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CN[C@](C)(C1CC1)[*:1]
Cc1cc([C@H](C)NC(=O)Cc2cccc(OCC#N)c2)c(C)s1 N#CC[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)Cc1cccc(c1)O[*:1]
Cc1cc([C@H](C)NC(=O)Cc2cccc(OCC#N)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)Cc1cccc(c1)OCC#N)[*:1]
Cc1cc([C@H](C)NC(=O)Cc2cccc(OCC#N)c2)c(C)s1 N#CCO[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)Cc1cccc(c1)[*:1]
Cc1nccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 Cc1nccc(n1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@H]1[*:1]
Cc1nccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 Cn1cnc(c1)[*:1] Cc1nccc(n1)[C@@H]1CCCN1S(=O)(=O)[*:1]
CC(C)[C@@H]1NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O O=[N+]([O-])[*:1] CC(C)[C@@H]1NC(=O)N(Cc2coc(n2)-c2ccc(cc2)[*:1])C1=O
CC(C)[C@@H]1NC(=O)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1=O CC(C)[*:1] O=C1N[C@H](C(=O)N1Cc1coc(n1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(CC#N)cc1 Fc1ccccc1[*:1] C[C@@H](CC[*:1])C(=O)Nc1ccc(cc1)CC#N
C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](O)CN1CCN([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)CC1 CC[C@H](O)C[*:1] Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCN(CC2)[*:1])c(C)c1
CC[C@H](O)CN1CCN([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)CC1 Cc1ccc(c(C)c1)[*:1] CC[C@H](O)CN1CCN(CC1)[C@@H](C)C(=O)NC(=O)N[*:1]
CC[C@H](O)CN1CCN([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)CC1 CC[C@H](O)[*:1] Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCN(CC2)C[*:1])c(C)c1
Cc1ccc(CNc2ccc3[nH]nc(C(N)=O)c3c2)c(Br)c1 NC(=O)[*:1] Cc1ccc(CNc2ccc3[nH]nc(c3c2)[*:1])c(Br)c1
C[C@@H](CO)NCc1c[nH+]cn1C1CC1 C1CC1[*:1] C[C@@H](CO)NCc1c[nH+]cn1[*:1]
C[C@@H](CO)NCc1c[nH+]cn1C1CC1 C[C@@H](CO)[*:1] c1[nH+]cn(c1CN[*:1])C1CC1
CCOC(=O)[C@H]1C(=O)N=C(N2CC[NH+](CC)CC2)[N-][C@H]1c1cccc(Cl)c1 CCOC(=O)[*:1] CC[NH+]1CCN(CC1)C1=NC(=O)[C@@H]([C@@H]([N-]1)c1cccc(Cl)c1)[*:1]
CCOC(=O)[C@H]1C(=O)N=C(N2CC[NH+](CC)CC2)[N-][C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCOC(=O)[C@H]1C(=O)N=C([N-][C@@H]1[*:1])N1CC[NH+](CC)CC1
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
Cc1cc(NC(=O)c2cnn(CCO[C@H]3CCCCO3)c2C)sn1 C1CC[C@@H](OC1)O[*:1] Cc1cc(NC(=O)c2cnn(CC[*:1])c2C)sn1
Cc1cc(NC(=O)c2cnn(CCO[C@H]3CCCCO3)c2C)sn1 Cc1cc(sn1)[*:1] Cc1c(cnn1CCO[C@H]1CCCCO1)C(=O)N[*:1]
Cc1cc(NC(=O)c2cnn(CCO[C@H]3CCCCO3)c2C)sn1 C1CC[C@@H](OC1)[*:1] Cc1cc(NC(=O)c2cnn(CCO[*:1])c2C)sn1
Cc1cc(NC(=O)c2cnn(CCO[C@H]3CCCCO3)c2C)sn1 C1CC[C@@H](OC1)OC[*:1] Cc1cc(NC(=O)c2cnn(C[*:1])c2C)sn1
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C)cc(C)c3)ccc21 Cc1cc(C)cc(c1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[*:1]
CC(C)(C)C(=O)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 CC(C)(C)C(=O)CO[*:1] O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(cc2o1)[*:1]
CC(C)(C)C(=O)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 CC(C)(C)[*:1] O=C(COc1ccc2c(cc(=O)oc2c1)-c1cc2ccccc2oc1=O)[*:1]
CC(C)(C)C(=O)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 CC(C)(C)C(=O)[*:1] O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(cc2o1)OC[*:1]
CC(C)(C)C(=O)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 CC(C)(C)C(=O)C[*:1] O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(cc2o1)O[*:1]
CCN[C@@H](C[NH+]1C[C@@H](C)[C@H](C)C1)c1ccccc1 CCN[*:1] C[C@@H]1C[NH+](C[C@H]1C)C[C@@H](c1ccccc1)[*:1]
CCN[C@@H](C[NH+]1C[C@@H](C)[C@H](C)C1)c1ccccc1 c1ccc(cc1)[*:1] CCN[C@@H](C[NH+]1C[C@@H](C)[C@H](C)C1)[*:1]
COC[C@H](NC(=O)c1ccc(-n2cccc2)nc1)c1ccc(F)c(F)c1 c1ccn(c1)[*:1] COC[C@H](NC(=O)c1ccc(nc1)[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)c1ccc(-n2cccc2)nc1)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)[*:1])c1ccc(nc1)-n1cccc1
COC[C@H](NC(=O)c1ccc(-n2cccc2)nc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)c1ccc(nc1)-n1cccc1)[*:1]
N#C[C@@H]1CN(C(=O)c2nc(C3CC3)n3ccccc23)CCO1 C1CC1[*:1] N#C[C@@H]1CN(CCO1)C(=O)c1nc(n2ccccc12)[*:1]
COc1ccc(NC(=O)[C@@H](C)Sc2nnnn2C)cc1 Cn1nnnc1[*:1] COc1ccc(cc1)NC(=O)[C@@H](C)S[*:1]
CN(C)[C@H](C(=O)N1CCC(CN2CCCC2=O)CC1)c1ccc(F)cc1 CN(C)[*:1] O=C1CCCN1CC1CCN(CC1)C(=O)[C@H](c1ccc(F)cc1)[*:1]
CN(C)[C@H](C(=O)N1CCC(CN2CCCC2=O)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C)[C@H](C(=O)N1CCC(CC1)CN1CCCC1=O)[*:1]
CN(C)[C@H](C(=O)N1CCC(CN2CCCC2=O)CC1)c1ccc(F)cc1 O=C1CCCN1[*:1] CN(C)[C@H](C(=O)N1CCC(CC1)C[*:1])c1ccc(F)cc1
CN(C)[C@H](C(=O)N1CCC(CN2CCCC2=O)CC1)c1ccc(F)cc1 O=C1CCCN1C[*:1] CN(C)[C@H](C(=O)N1CCC(CC1)[*:1])c1ccc(F)cc1
Cn1cnc(S(=O)(=O)NCc2ccnc(-n3cccn3)c2)c1 c1cnn(c1)[*:1] Cn1cnc(c1)S(=O)(=O)NCc1ccnc(c1)[*:1]
Cn1cnc(S(=O)(=O)NCc2ccnc(-n3cccn3)c2)c1 Cn1cnc(c1)[*:1] O=S(=O)(NCc1ccnc(c1)-n1cccn1)[*:1]
O=C(CSc1ccncc1)N1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(CSc1ccncc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CSc1ccncc1)N1CCN(S(=O)(=O)c2cccs2)CC1 c1cc(ccn1)SC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccs1)[*:1]
O=C(CSc1ccncc1)N1CCN(S(=O)(=O)c2cccs2)CC1 c1cc(ccn1)S[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1cccs1
O=C(CSc1ccncc1)N1CCN(S(=O)(=O)c2cccs2)CC1 c1cc(ccn1)[*:1] O=C(CS[*:1])N1CCN(CC1)S(=O)(=O)c1cccs1
Cc1cccc(NC(=O)c2cccc(NC(=O)COc3cc(C)cc(C)c3)c2)c1 Cc1cc(C)cc(c1)O[*:1] Cc1cccc(c1)NC(=O)c1cccc(c1)NC(=O)C[*:1]
Cc1cccc(NC(=O)c2cccc(NC(=O)COc3cc(C)cc(C)c3)c2)c1 Cc1cc(C)cc(c1)[*:1] Cc1cccc(c1)NC(=O)c1cccc(c1)NC(=O)CO[*:1]
Cc1cccc(NC(=O)c2cccc(NC(=O)COc3cc(C)cc(C)c3)c2)c1 Cc1cccc(c1)[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1cccc(c1)C(=O)N[*:1]
CO[C@H]1C[C@@H]([O-])C12CCN(C(=O)CCc1ccc(-c3ccccc3)cc1)CC2 c1ccc(cc1)[*:1] CO[C@H]1C[C@@H]([O-])C12CCN(CC2)C(=O)CCc1ccc(cc1)[*:1]
C[C@](Nc1ccccc1S(C)(=O)=O)(C(=O)[O-])C(F)(F)F CS(=O)(=O)[*:1] C[C@](Nc1ccccc1[*:1])(C(=O)[O-])C(F)(F)F
C[C@](Nc1ccccc1S(C)(=O)=O)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](Nc1ccccc1S(C)(=O)=O)(C(=O)[O-])[*:1]
CCOC(=O)NC(=O)CSc1nnc(Nc2ccccc2F)s1 Fc1ccccc1[*:1] CCOC(=O)NC(=O)CSc1nnc(N[*:1])s1
O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)Cn2cnc3ccccc3c2=O)C1 O=C(c1ccc(Cl)cc1)[*:1] O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](C1)[*:1]
O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)Cn2cnc3ccccc3c2=O)C1 Clc1ccc(cc1)[*:1] O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](C1)C(=O)[*:1]
O=C(C[C@H]1S/C(=N/N=C2CCCCCC2)NC1=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@H]1S/C(=N/N=C2CCCCCC2)NC1=O)N[*:1]
O=C(C[C@H]1S/C(=N/N=C2CCCCCC2)NC1=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1S/C(=N/N=C2CCCCCC2)NC1=O)NC[*:1]
Cn1cnnc1SC[C@H]1CO1 C1O[C@H]1[*:1] Cn1cnnc1SC[*:1]
CN(CCOc1cccc(Cl)c1)c1ncnc2sccc12 Clc1cccc(c1)[*:1] CN(CCO[*:1])c1ncnc2sccc12
NC(=O)[C@@H]1CC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)O1 NC(=O)[*:1] c1ccc([nH+]c1)N1CCC(CC1)[NH2+]C[C@H]1CC[C@H](O1)[*:1]
NC(=O)[C@@H]1CC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)O1 c1ccc([nH+]c1)[*:1] NC(=O)[C@@H]1CC[C@H](C[NH2+]C2CCN(CC2)[*:1])O1
O=C(CCc1nc2ccccc2[nH]1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 c1cc2OCOc2cc1[*:1] O=C(CCc1nc2ccccc2[nH]1)Nc1nc(cs1)[*:1]
O=C(CCc1nc2ccccc2[nH]1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 c1ccc2[nH]c(nc2c1)[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1ccc2OCOc2c1
COC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 COC(=O)[*:1] O=S(=O)(CCC[*:1])c1ccc(Br)cc1
COC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 COC(=O)C[*:1] O=S(=O)(CC[*:1])c1ccc(Br)cc1
Cc1nc([C@@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)C2)ncc1C(N)=O NC(=O)[*:1] Cc1nc(ncc1[*:1])[C@@H]1CCN(C1)C(=O)C1(CCOCC1)c1ccc(Cl)cc1
Cc1nc([C@@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)C2)ncc1C(N)=O Clc1ccc(cc1)[*:1] Cc1nc(ncc1C(N)=O)[C@@H]1CCN(C1)C(=O)C1(CCOCC1)[*:1]
Cc1nc([C@@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)C2)ncc1C(N)=O Cc1nc(ncc1C(N)=O)[*:1] O=C(N1CC[C@H](C1)[*:1])C1(CCOCC1)c1ccc(Cl)cc1
Cc1cccc(C(=O)NCC(=O)NC#N)c1 N#CNC(=O)[*:1] Cc1cccc(c1)C(=O)NC[*:1]
Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc4c(c3)OCCO4)c12 C1CC1[*:1] Cc1noc2nc(cc(C(=O)NCc3ccc4OCCOc4c3)c12)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)N1CCO[C@](C)(c2ccccc2)C1 c1ccc(cc1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N1CCO[C@](C)(C1)[*:1]
CCn1c(-c2nc(C(=O)N3CCN(c4ccncn4)CC3)cs2)cc2ccccc21 c1cc(ncn1)[*:1] CCn1c(cc2ccccc21)-c1nc(cs1)C(=O)N1CCN(CC1)[*:1]
O=C(Cn1cnc2sc3c(c2c1=O)CCC3)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(Cn1cnc2sc3CCCc3c2c1=O)[*:1]
CCOCCNC(=O)CSc1nc(C)nc2ccccc12 CCOC[*:1] Cc1nc(SCC(=O)NC[*:1])c2ccccc2n1
CCOCCNC(=O)CSc1nc(C)nc2ccccc12 CCO[*:1] Cc1nc(SCC(=O)NCC[*:1])c2ccccc2n1
CCOCCNC(=O)CSc1nc(C)nc2ccccc12 CCOCC[*:1] Cc1nc(SCC(=O)N[*:1])c2ccccc2n1
Cc1ccc(Cc2nsc(N(C)CC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)n2)cc1 Cc1ccc(cc1)C[*:1] CN(CC(=O)N1CCC(CC1)n1c(=O)[nH]c2ccccc21)c1nc(ns1)[*:1]
Cc1ccc(Cc2nsc(N(C)CC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)n2)cc1 O=c1[nH]c2ccccc2n1[*:1] Cc1ccc(cc1)Cc1nsc(n1)N(C)CC(=O)N1CCC(CC1)[*:1]
Cc1ccc(Cc2nsc(N(C)CC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)n2)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N1CCC(CC1)n1c(=O)[nH]c2ccccc21)c1nc(C[*:1])ns1
O=C(Nc1ccc(Br)cc1)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(Br)cc1)c1ncccc1[*:1]
CCc1cccc(NC(=O)CSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n23)c1 Fc1ccccc1[*:1] CCc1cccc(c1)NC(=O)CSc1nc(nc2cc(=O)[nH]n12)[*:1]
CCc1cccc(NC(=O)CSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n23)c1 CCc1cccc(c1)[*:1] O=C(CSc1nc(nc2cc(=O)[nH]n12)-c1ccccc1F)N[*:1]
Cc1nc(-c2ccccc2)nc(NCC2CC[NH2+]CC2)c1C c1ccc(cc1)[*:1] Cc1nc(nc(NCC2CC[NH2+]CC2)c1C)[*:1]
O=C(NC[C@@H]1CCCO1)C(=O)Nc1cnc(-c2ccccc2)s1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])C(=O)Nc1cnc(s1)-c1ccccc1
O=C(NC[C@@H]1CCCO1)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)C(=O)Nc1cnc(s1)[*:1]
O=C(NC[C@@H]1CCCO1)C(=O)Nc1cnc(-c2ccccc2)s1 C1CO[C@@H](C1)C[*:1] O=C(Nc1cnc(s1)-c1ccccc1)C(=O)N[*:1]
N#CCc1ccc(-c2cnc3ccccc3c2)cc1 N#CC[*:1] c1ccc2ncc(cc2c1)-c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)cc1C Clc1cccc(c1)[*:1] Cc1ccc(cc1C)NC(=O)c1nnn(C[*:1])c1N
Cc1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)cc1C Cc1ccc(cc1C)[*:1] Nc1c(nnn1Cc1cccc(Cl)c1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)cc1C Clc1cccc(c1)C[*:1] Cc1ccc(cc1C)NC(=O)c1nnn(c1N)[*:1]
Cc1csc(CNC(=O)C2CCN(CC(F)(F)F)CC2)n1 FC(F)(F)C[*:1] Cc1csc(CNC(=O)C2CCN(CC2)[*:1])n1
Cc1csc(CNC(=O)C2CCN(CC(F)(F)F)CC2)n1 Cc1csc(C[*:1])n1 O=C(N[*:1])C1CCN(CC1)CC(F)(F)F
Cc1csc(CNC(=O)C2CCN(CC(F)(F)F)CC2)n1 Cc1csc(n1)[*:1] O=C(NC[*:1])C1CCN(CC1)CC(F)(F)F
Cc1csc(CNC(=O)C2CCN(CC(F)(F)F)CC2)n1 FC(F)(F)[*:1] Cc1csc(CNC(=O)C2CCN(CC2)C[*:1])n1
Cc1c(-c2cc(C(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)no2)cnn1C Cc1c(cnn1C)[*:1] CN1C[C@]2(CCN(C2)C(=O)c2cc(on2)[*:1])OC1=O
CCCn1cc[nH+]c1[C@@H](NCC)[C@H]1CN(CC)CCO1 CCN[*:1] CCCn1cc[nH+]c1[C@@H]([C@H]1CN(CC)CCO1)[*:1]
CCCn1cc[nH+]c1[C@@H](NCC)[C@H]1CN(CC)CCO1 CCC[*:1] CCN[C@H](c1[nH+]ccn1[*:1])[C@H]1CN(CC)CCO1
COc1ccc2c(C)c(C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)oc2c1 c1ccc(cc1)[*:1] COc1ccc2c(C)c(oc2c1)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
O=C(Cc1cccnc1)NCc1cc2n(n1)CC[NH+](C1CCCCC1)C2 c1cncc(c1)[*:1] O=C(C[*:1])NCc1cc2C[NH+](CCn2n1)C1CCCCC1
O=C(Cc1cccnc1)NCc1cc2n(n1)CC[NH+](C1CCCCC1)C2 C1CCC(CC1)[*:1] O=C(Cc1cccnc1)NCc1cc2C[NH+](CCn2n1)[*:1]
O=C(Cc1cccnc1)NCc1cc2n(n1)CC[NH+](C1CCCCC1)C2 c1cncc(c1)C[*:1] O=C(NCc1cc2C[NH+](CCn2n1)C1CCCCC1)[*:1]
O=C(CSc1cccc(Cl)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 Clc1cccc(c1)S[*:1] O=C(C[*:1])N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
O=C(CSc1cccc(Cl)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 Clc1cccc(c1)[*:1] O=C(CS[*:1])N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
O=C(CSc1cccc(Cl)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] O=C(CSc1cccc(Cl)c1)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(CN(C)C(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)o1 Cc1ccc(C[*:1])o1 CN(C(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)[*:1]
Cc1ccc(CN(C)C(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)o1 Clc1ccc(c(Cl)c1)[*:1] Cc1ccc(CN(C)C(=O)CNC(=O)CNC(=O)[*:1])o1
Cc1ccc(CN(C)C(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
O=C(c1ccc(-n2cncn2)cc1)N(Cc1ccco1)Cc1ccco1 c1ncn(n1)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccco1)Cc1ccco1
O=C(c1ccc(-n2cncn2)cc1)N(Cc1ccco1)Cc1ccco1 c1coc(c1)C[*:1] O=C(c1ccc(cc1)-n1cncn1)N(Cc1ccco1)[*:1]
O=C(c1ccc(-n2cncn2)cc1)N(Cc1ccco1)Cc1ccco1 c1coc(c1)[*:1] O=C(c1ccc(cc1)-n1cncn1)N(Cc1ccco1)C[*:1]
COC(=O)c1ccc([C@H](C)Sc2nnc(-c3ccc(C)cc3)o2)o1 COC(=O)[*:1] Cc1ccc(cc1)-c1nnc(o1)S[C@@H](C)c1ccc(o1)[*:1]
COC(=O)c1ccc([C@H](C)Sc2nnc(-c3ccc(C)cc3)o2)o1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(o1)[C@H](C)Sc1nnc(o1)[*:1]
CCNC(=O)CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 CCNC(=O)C[*:1] CC1CCN(CC1)c1nnc(S[*:1])n1Cc1ccco1
CCNC(=O)CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 c1coc(c1)C[*:1] CCNC(=O)CSc1nnc(N2CCC(C)CC2)n1[*:1]
CCNC(=O)CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 c1coc(c1)[*:1] CCNC(=O)CSc1nnc(N2CCC(C)CC2)n1C[*:1]
CCNC(=O)CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 CCNC(=O)[*:1] CC1CCN(CC1)c1nnc(SC[*:1])n1Cc1ccco1
CCNC(=O)CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 CCNC(=O)CS[*:1] CC1CCN(CC1)c1nnc(n1Cc1ccco1)[*:1]
CCNC(=O)CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 CC1CCN(CC1)[*:1] CCNC(=O)CSc1nnc(n1Cc1ccco1)[*:1]
C=CCNC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl C=CC[*:1] O=C(COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N[*:1]
C=CCNC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl C=CCNC(=O)[*:1] Clc1c(Cl)c(Cl)c(OC[*:1])c(Cl)c1Cl
CCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)CC1 c1csc(c1)[*:1] CCN1CCN(CC1)C(=O)c1cnn(-c2nccc(n2)[*:1])c1C1CC1
CCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)CC1 C1CC1[*:1] CCN1CCN(CC1)C(=O)c1cnn(-c2nccc(n2)-c2cccs2)c1[*:1]
CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)N4CCN(c5ncccn5)CC4)ccn3n2)cc1 c1cnc(nc1)[*:1] CC(C)c1ccc(cc1)-c1cc2c(=O)n(ccn2n1)CCC(=O)N1CCN(CC1)[*:1]
CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)N4CCN(c5ncccn5)CC4)ccn3n2)cc1 CC(C)[*:1] O=C(CCn1ccn2nc(cc2c1=O)-c1ccc(cc1)[*:1])N1CCN(CC1)c1ncccn1
CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)N4CCN(c5ncccn5)CC4)ccn3n2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(CCn1ccn2nc(cc2c1=O)[*:1])N1CCN(CC1)c1ncccn1
O=c1c2ccccc2nc(/C=C\c2c[nH]c3ccccc23)n1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c2ccccc2nc(/C=C\c2c[nH]c3ccccc23)n1[*:1]
O=c1c2ccccc2nc(/C=C\c2c[nH]c3ccccc23)n1-c1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] O=c1c2ccccc2nc(C=C[*:1])n1-c1ccccc1
CCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)nnc2c1-c1ccc(OC)c(OC)c1 COc1ccc(cc1OC)[*:1] CCc1nn2c(C)c(nnc2c1[*:1])C(=O)Nc1ccccc1Cl
CCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)nnc2c1-c1ccc(OC)c(OC)c1 Clc1ccccc1[*:1] CCc1nn2c(C)c(nnc2c1-c1ccc(OC)c(c1)OC)C(=O)N[*:1]
CCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)nnc2c1-c1ccc(OC)c(OC)c1 O=C(Nc1ccccc1Cl)[*:1] CCc1nn2c(C)c(nnc2c1-c1ccc(OC)c(c1)OC)[*:1]
C#CCN(CC#C)C(=O)CC1(O)CCCCC1 C#CC[*:1] C#CCN(C(=O)CC1(O)CCCCC1)[*:1]
COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)Oc1ccc(Cl)cc1NC(=O)c1cccc(c1)[*:1]
COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1cc(Cl)ccc1O[*:1]
COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 COc1ccc(cc1)O[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1cc(Cl)ccc1[*:1]
O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(F)ccc1O Oc1ccc(F)cc1[*:1] O=C1C[C@H](CNC(=O)[*:1])CN1Cc1ccccc1
O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(F)ccc1O c1ccc(cc1)[*:1] O=C(NC[C@H]1CC(=O)N(C1)C[*:1])c1cc(F)ccc1O
O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(F)ccc1O c1ccc(cc1)C[*:1] O=C(NC[C@H]1CC(=O)N(C1)[*:1])c1cc(F)ccc1O
O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 Fc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc2cc[nH]c2c1
O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 c1cc2ccc(cc2[nH]1)[*:1] O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(C(=O)/N=C2\N=[NH+][C@@H](c3ccc(Cl)cc3Cl)S2)cc1OC Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1OC)C(=O)/N=C1\N=[NH+][C@@H](S1)[*:1]
Cc1cc2c(NCCCn3cccn3)ncnc2s1 c1cnn(c1)[*:1] Cc1cc2c(ncnc2s1)NCCC[*:1]
Cc1cc2c(NCCCn3cccn3)ncnc2s1 c1cnn(c1)C[*:1] Cc1cc2c(ncnc2s1)NCC[*:1]
COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 COC(=O)[*:1] O=C(C[NH+]1CCN(CC1)c1cccc(c1)C(F)(F)F)Nc1c([nH]c2cccc(Cl)c12)[*:1]
COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)c1cccc(c1)[*:1] COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[NH+]1CCN(CC1)[*:1]
COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[NH+]1CCN(CC1)c1cccc(c1)[*:1]
COC(=O)c1cnc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1 COC(=O)[*:1] O=C(Nc1ncc(s1)[*:1])C1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
COC(=O)c1cnc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1 FC(F)(F)[*:1] COC(=O)c1cnc(NC(=O)C2CCN(CC2)c2ncc(cc2Cl)[*:1])s1
COC(=O)c1cnc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1 COC(=O)c1cnc(s1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
C[C@H](NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)C(C)(C)C C[C@H](C(C)(C)C)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)N[*:1]
C[C@H](NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)C(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCC2)CC1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)N1CCC(CC1)[NH+]1CCCC1
CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCC2)CC1 c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)N1CCC(CC1)[NH+]1CCCC1)[*:1]
O=C(Nc1cccnc1N1CCOCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 C1CN(CCO1)[*:1] O=C(Nc1cccnc1[*:1])C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
O=C(Nc1cccnc1N1CCOCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(Nc1cccnc1N1CCOCC1)C1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
O=C(Nc1cccnc1N1CCOCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] O=C(Nc1cccnc1N1CCOCC1)C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
COC(=O)c1c(NC(=O)Cc2ccc(C)cc2)sc2c1CCCC2 Cc1ccc(cc1)C[*:1] COC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
COC(=O)c1c(NC(=O)Cc2ccc(C)cc2)sc2c1CCCC2 Cc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)C[*:1])sc2CCCCc21
COC(=O)c1c(NC(=O)Cc2ccc(C)cc2)sc2c1CCCC2 COC(=O)[*:1] Cc1ccc(cc1)CC(=O)Nc1sc2CCCCc2c1[*:1]
CC(=O)c1ccc(-n2cc[n+](CC(=O)Nc3ccc(C)cc3Cl)c2)cc1 CC(=O)[*:1] Cc1ccc(NC(=O)C[n+]2ccn(c2)-c2ccc(cc2)[*:1])c(Cl)c1
CC(=O)c1ccc(-n2cc[n+](CC(=O)Nc3ccc(C)cc3Cl)c2)cc1 Cc1ccc(c(Cl)c1)[*:1] CC(=O)c1ccc(cc1)-n1cc[n+](c1)CC(=O)N[*:1]
Cc1cc([N-]S(=O)(=O)[C@H](C)C(N)=S)ncc1Br NC(=S)[*:1] Cc1cc(ncc1Br)[N-]S(=O)(=O)[C@H](C)[*:1]
Cc1cc([N-]S(=O)(=O)[C@H](C)C(N)=S)ncc1Br C[C@H](C(N)=S)[*:1] Cc1cc(ncc1Br)[N-]S(=O)(=O)[*:1]
C[C@@H]1Cc2cc([C@H](O)CN(C)Cc3ccccc3)ccc2N1S(C)(=O)=O c1ccc(cc1)[*:1] C[C@@H]1Cc2cc(ccc2N1S(C)(=O)=O)[C@H](O)CN(C)C[*:1]
C[C@@H]1Cc2cc([C@H](O)CN(C)Cc3ccccc3)ccc2N1S(C)(=O)=O c1ccc(cc1)C[*:1] C[C@@H]1Cc2cc(ccc2N1S(C)(=O)=O)[C@H](O)CN(C)[*:1]
O=C(CCCn1ccnn1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 c1cn(C[*:1])nn1 O=C(CC[*:1])Nc1ccc(F)c(c1)-c1nnc2CCCCCn21
O=C(CCCn1ccnn1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 c1cn(nn1)[*:1] O=C(CCC[*:1])Nc1ccc(F)c(c1)-c1nnc2CCCCCn21
O=C(CCCn1ccnn1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 c1cn(CCC[*:1])nn1 O=C(Nc1ccc(F)c(c1)-c1nnc2CCCCCn21)[*:1]
O=C(CCCn1ccnn1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 c1cn(CC[*:1])nn1 O=C(C[*:1])Nc1ccc(F)c(c1)-c1nnc2CCCCCn21
O=C(NCc1[nH+]ccn1CCc1ccccc1)c1cccc2[nH]ccc12 c1ccc(cc1)CC[*:1] O=C(NCc1[nH+]ccn1[*:1])c1cccc2[nH]ccc12
O=C(NCc1[nH+]ccn1CCc1ccccc1)c1cccc2[nH]ccc12 c1ccc(cc1)C[*:1] O=C(NCc1[nH+]ccn1C[*:1])c1cccc2[nH]ccc12
O=C(NCc1[nH+]ccn1CCc1ccccc1)c1cccc2[nH]ccc12 c1ccc(cc1)[*:1] O=C(NCc1[nH+]ccn1CC[*:1])c1cccc2[nH]ccc12
N#CCSCCC[NH+](C1CCCC1)C1CC1 C1CCC(C1)[*:1] N#CCSCCC[NH+](C1CC1)[*:1]
N#CCSCCC[NH+](C1CCCC1)C1CC1 N#CC[*:1] C1CCC(C1)[NH+](CCCS[*:1])C1CC1
N#CCSCCC[NH+](C1CCCC1)C1CC1 C1CC1[*:1] N#CCSCCC[NH+](C1CCCC1)[*:1]
N#CCSCCC[NH+](C1CCCC1)C1CC1 N#CCS[*:1] C1CCC(C1)[NH+](CCC[*:1])C1CC1
N#CCSCCC[NH+](C1CCCC1)C1CC1 N#CCSC[*:1] C1CCC(C1)[NH+](CC[*:1])C1CC1
CC(C)CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 CC(C)[*:1] CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CC[*:1]
CC(C)CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 CC(C)C[*:1] CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)C[*:1]
CC(C)CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 CC(C)CC[*:1] CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)[*:1]
CC(C)CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] CC(C)CCC(=O)Nc1ccc(Cl)c(c1)[*:1]
COC(=O)[C@]1(C)CCN(CC[NH+]2CCCC2)C1 COC(=O)[*:1] C[C@@]1(CCN(CC[NH+]2CCCC2)C1)[*:1]
O=C(CCOc1cccc2cccnc12)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCOc1cccc2cccnc12)N[*:1]
Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccc(cc1[N-]S(=O)(=O)[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(F)c1 FC(F)(F)[*:1] Cc1ccc(cc1[N-]S(=O)(=O)c1cccc(F)c1)[*:1]
CC(C)c1nc([C@H](C)NCc2ccc(C#N)cc2)cs1 CC(C)[*:1] C[C@H](NCc1ccc(C#N)cc1)c1csc(n1)[*:1]
CC(C)c1nc(C(=O)NCc2ccco2)n[nH]1 c1coc(c1)[*:1] CC(C)c1nc(n[nH]1)C(=O)NC[*:1]
CC(C)c1nc(C(=O)NCc2ccco2)n[nH]1 CC(C)[*:1] O=C(NCc1ccco1)c1n[nH]c(n1)[*:1]
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCO)[C@H]4C2=O)c1 CN(CCO)C(=O)[*:1] COc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@@H]([C@H]3C1=O)[*:1]
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCO)[C@H]4C2=O)c1 COc1cccc(c1)C[*:1] CN(CCO)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCO)[C@H]4C2=O)c1 OCC[*:1] COc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)[*:1])[C@H]3C1=O
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCO)[C@H]4C2=O)c1 COc1cccc(c1)[*:1] CN(CCO)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@H]13)O2
COc1cc(Cl)c(C)cc1NC(=O)CCCn1ccnn1 c1cn(nn1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)CCC[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CCCn1ccnn1 c1cn(CC[*:1])nn1 COc1cc(Cl)c(C)cc1NC(=O)C[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 COc1cc(Cl)c(C)cc1NC(=O)CC[*:1]
CCCCCn1nc(C(=O)Nc2nccs2)c2ccccc2c1=O O=C(Nc1nccs1)[*:1] CCCCCn1nc(c2ccccc2c1=O)[*:1]
CCCCCn1nc(C(=O)Nc2nccs2)c2ccccc2c1=O c1csc(n1)[*:1] CCCCCn1nc(C(=O)N[*:1])c2ccccc2c1=O
CCCCCn1nc(C(=O)Nc2nccs2)c2ccccc2c1=O CCC[*:1] O=C(Nc1nccs1)c1nn(CC[*:1])c(=O)c2ccccc12
CCCCCn1nc(C(=O)Nc2nccs2)c2ccccc2c1=O CCCCC[*:1] O=C(Nc1nccs1)c1nn(c(=O)c2ccccc12)[*:1]
CCCCCn1nc(C(=O)Nc2nccs2)c2ccccc2c1=O CCCC[*:1] O=C(Nc1nccs1)c1nn(C[*:1])c(=O)c2ccccc12
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCCO1 CC[S@@](=O)[*:1] O=C(C[C@@H]1CCCO1)N[C@H]1CCCC[C@@H]1[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)C[*:1]
COc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1CCN(C)C[C@@H]1c1ccccc1
COc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1NC(C)=O c1ccc(cc1)[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)N1CCN(C)C[C@H]1[*:1]
C/C=C/C=C/C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 CC=C[*:1] C[C@H](NC(=O)C=C[*:1])c1cccc(c1)NC(=O)c1ccccc1
C/C=C/C=C/C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C/C=C/C=C/C(=O)N[C@@H](C)c1cccc(c1)NC(=O)[*:1]
C/C=C/C=C/C(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 C/C=C/C=C[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)NC(=O)c1ccccc1
Cc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)sc2n1 c1ccn(c1)[*:1] Cc1cc(C)c2c(c(sc2n1)C(=O)N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)N[C@H](C)c1cc(C)oc1C C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)N[C@H](C)c1cc(C)oc1C
CCN(C[C@H]1CCOC1)C(=O)N[C@H](C)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] CCN(C[C@H]1CCOC1)C(=O)N[C@H](C)[*:1]
CCN(C[C@H]1CCOC1)C(=O)N[C@H](C)c1cc(C)oc1C C1C[C@@H](CO1)C[*:1] CCN(C(=O)N[C@H](C)c1cc(C)oc1C)[*:1]
O=C(C[NH2+]Cc1ccc(F)cc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(C[NH2+]Cc1ccc(F)cc1)N[*:1]
COc1ccccc1N1CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)CC1 O=S(=O)(N[*:1])c1cccs1 COc1ccccc1N1CCN(CC1)C(=O)[C@H](C(C)C)[*:1]
COc1ccccc1N1CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)CC1 CC(C)[*:1] COc1ccccc1N1CCN(CC1)C(=O)[C@H](NS(=O)(=O)c1cccs1)[*:1]
COc1ccccc1N1CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)CC1 COc1ccccc1[*:1] CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)CC1 c1csc(c1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)[C@H](NS(=O)(=O)[*:1])C(C)C
COCC[NH+](CC1CCC(C[NH3+])CC1)C1CC1 C1CC1[*:1] COCC[NH+](CC1CCC(C[NH3+])CC1)[*:1]
COCC[NH+](CC1CCC(C[NH3+])CC1)C1CC1 COC[*:1] [NH3+]CC1CCC(CC1)C[NH+](C[*:1])C1CC1
COCC[NH+](CC1CCC(C[NH3+])CC1)C1CC1 COCC[*:1] [NH3+]CC1CCC(CC1)C[NH+](C1CC1)[*:1]
CC[NH2+][C@H](C=C(C)C)[C@]1([NH+](C)C)CCC[C@H](C)C1 CC(C)=C[*:1] CC[NH2+][C@H]([C@@]1(CCC[C@H](C)C1)[NH+](C)C)[*:1]
CC(C)CN(C(=O)COCC(=O)[O-])C1CCCC1 CC(C)C[*:1] O=C([O-])COCC(=O)N(C1CCCC1)[*:1]
CC(C)CN(C(=O)COCC(=O)[O-])C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(C(=O)COCC(=O)[O-])[*:1]
CC(C)CN(C(=O)COCC(=O)[O-])C1CCCC1 O=C([O-])[*:1] CC(C)CN(C(=O)COC[*:1])C1CCCC1
CC(C)CN(C(=O)COCC(=O)[O-])C1CCCC1 O=C([O-])C[*:1] CC(C)CN(C(=O)CO[*:1])C1CCCC1
CC(C)CN(C(=O)COCC(=O)[O-])C1CCCC1 CC(C)[*:1] O=C([O-])COCC(=O)N(C[*:1])C1CCCC1
CC(C)CN(C(=O)COCC(=O)[O-])C1CCCC1 O=C([O-])CO[*:1] CC(C)CN(C(=O)C[*:1])C1CCCC1
CC(C)CN(C(=O)COCC(=O)[O-])C1CCCC1 O=C([O-])COC[*:1] CC(C)CN(C(=O)[*:1])C1CCCC1
CCCCCc1nnc(NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)s1 CCCC[*:1] C[C@H](C(=O)Nc1nnc(C[*:1])s1)n1c(=O)oc2ccccc21
CCCCCc1nnc(NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)s1 CCCCC[*:1] C[C@H](C(=O)Nc1nnc(s1)[*:1])n1c(=O)oc2ccccc21
CCCCCc1nnc(NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)s1 CCC[*:1] C[C@H](C(=O)Nc1nnc(CC[*:1])s1)n1c(=O)oc2ccccc21
Cc1nc(C)c(CC(=O)N(CCC(C)C)C2CC2)c(=O)[nH]1 C1CC1[*:1] Cc1nc(C)c(CC(=O)N(CCC(C)C)[*:1])c(=O)[nH]1
Cc1nc(C)c(CC(=O)N(CCC(C)C)C2CC2)c(=O)[nH]1 CC(C)CC[*:1] Cc1nc(C)c(CC(=O)N(C2CC2)[*:1])c(=O)[nH]1
Cc1nc(C)c(CC(=O)N(CCC(C)C)C2CC2)c(=O)[nH]1 CC(C)C[*:1] Cc1nc(C)c(CC(=O)N(C[*:1])C2CC2)c(=O)[nH]1
Cc1nc(C)c(CC(=O)N(CCC(C)C)C2CC2)c(=O)[nH]1 CC(C)[*:1] Cc1nc(C)c(CC(=O)N(CC[*:1])C2CC2)c(=O)[nH]1
Cc1cc(C(=O)N2CCN(CCNC(=O)Nc3ccc(F)cc3)CC2)no1 Fc1ccc(cc1)[*:1] Cc1cc(no1)C(=O)N1CCN(CCNC(=O)N[*:1])CC1
Cc1cc(C(=O)N2CCN(CCNC(=O)Nc3ccc(F)cc3)CC2)no1 Cc1cc(no1)[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])Nc1ccc(F)cc1
C[C@@H]1C[C@H]([NH3+])CN(CCCC(C)(C)C#N)C1 CC(C)(C#N)[*:1] C[C@@H]1C[C@H]([NH3+])CN(CCC[*:1])C1
CCOC(=O)CN1C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O CCOC(=O)[*:1] O=C1C(=O)N(C[*:1])C(=O)N1Cc1ccc(Cl)c(Cl)c1
CCOC(=O)CN1C(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O CCOC(=O)C[*:1] O=C1C(=O)N(C(=O)N1Cc1ccc(Cl)c(Cl)c1)[*:1]
COCc1ccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1 COC[*:1] O=C(c1ccc(cc1)[*:1])N(C[C@H]1CCCO1)c1ccncc1
COCc1ccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1 c1cc(ccn1)[*:1] COCc1ccc(cc1)C(=O)N(C[C@H]1CCCO1)[*:1]
CCCCN(CC)[C@H](C[NH3+])c1cc(Cl)cs1 CCCC[*:1] CCN([C@H](C[NH3+])c1cc(Cl)cs1)[*:1]
CCCCN(CC)[C@H](C[NH3+])c1cc(Cl)cs1 CCC[*:1] CCN(C[*:1])[C@H](C[NH3+])c1cc(Cl)cs1
O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cnc(cn1)[*:1]
O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cnc(cn1)O[*:1]
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)CC1 FC(F)(F)[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1cc(ccc1Cl)[*:1]
Cc1noc([C@H](NC(=O)C=C2CCSCC2)C(C)C)n1 Cc1noc(n1)[*:1] CC(C)[C@@H](NC(=O)C=C1CCSCC1)[*:1]
Cc1noc([C@H](NC(=O)C=C2CCSCC2)C(C)C)n1 CC(C)[*:1] Cc1noc(n1)[C@H](NC(=O)C=C1CCSCC1)[*:1]
CNC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 CNC(=O)[*:1] COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C[*:1]
CNC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 CNC(=O)C[*:1] COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)[*:1]
C[C@@H](CCCO)NC(=O)C(=O)Nc1cc(Cl)ccc1N(C)C OCC[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1cc(Cl)ccc1N(C)C
C[C@@H](CCCO)NC(=O)C(=O)Nc1cc(Cl)ccc1N(C)C CN(C)[*:1] C[C@@H](CCCO)NC(=O)C(=O)Nc1cc(Cl)ccc1[*:1]
C[C@@H](CCCO)NC(=O)C(=O)Nc1cc(Cl)ccc1N(C)C OCCC[*:1] C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1N(C)C)[*:1]
C[C@@H](CCCO)NC(=O)C(=O)Nc1cc(Cl)ccc1N(C)C C[C@@H](CCCO)[*:1] CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N[*:1]
COc1ccc(-c2ccc(C(=O)N3CC[C@@H](C)[C@@H](O)C3)c(F)c2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1ccc(cc1F)[*:1]
O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=S(=O)(Nc1cccc(c1)Cn1cccn1)[*:1]
O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccc(F)cc1F c1cnn(c1)[*:1] O=S(=O)(Nc1cccc(c1)C[*:1])c1ccc(F)cc1F
O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccc(F)cc1F c1cnn(c1)C[*:1] O=S(=O)(Nc1cccc(c1)[*:1])c1ccc(F)cc1F
COC[C@H](C)OC(=O)[C@H]1C=C[C@@H]([NH3+])C1 COC[*:1] C[C@H](OC(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
Cc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)n2ncnc2n1 c1ccc(cc1)C[*:1] Cc1cc(NC[C@H]([NH+](C)C)[*:1])n2ncnc2n1
Cc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)n2ncnc2n1 c1ccc(cc1)[*:1] Cc1cc(NC[C@H](C[*:1])[NH+](C)C)n2ncnc2n1
COc1ccc(NC(C)=O)cc1NC(=O)CNc1cccc(Cl)c1 Clc1cccc(c1)N[*:1] COc1ccc(cc1NC(=O)C[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)CNc1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1ccc(cc1NC(=O)CN[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)CNc1cccc(Cl)c1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)CNc1cccc(Cl)c1)[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1ccc(C)cc1Br CSC[*:1] CC[C@H](N(C)C(=O)Nc1ccc(C)cc1Br)[*:1]
C[C@H](O)[C@@H](C)SCC(=O)Nc1nc2ccccc2s1 C[C@H](O)[*:1] C[C@@H](SCC(=O)Nc1nc2ccccc2s1)[*:1]
O=C(c1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(c1cccc(Cl)c1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(c1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 Clc1cccc(c1)[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1Cl)[*:1]
CCCCc1ccc(NC(=O)CS(=O)(=O)NC)cc1 CNS(=O)(=O)C[*:1] CCCCc1ccc(cc1)NC(=O)[*:1]
CCCCc1ccc(NC(=O)CS(=O)(=O)NC)cc1 CNS(=O)(=O)[*:1] CCCCc1ccc(cc1)NC(=O)C[*:1]
CCCCc1ccc(NC(=O)CS(=O)(=O)NC)cc1 CCC[*:1] CNS(=O)(=O)CC(=O)Nc1ccc(cc1)C[*:1]
CCCCc1ccc(NC(=O)CS(=O)(=O)NC)cc1 CCCC[*:1] CNS(=O)(=O)CC(=O)Nc1ccc(cc1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12
Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@H](c1ccccc1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@H](c1c[nH]c2ccccc12)[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)C12CC3CC(CC(C3)C1)C2 c1ccc(cc1)[*:1] Cc1cnn(c1NC(=O)C12CC3CC(CC(C3)C1)C2)[*:1]
O=C(N[C@@H]1CCCSC1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(N[C@@H]1CCCSC1)N1CCOC[C@H]1[*:1]
O=C(N[C@@H]1CCCSC1)N1CCOC[C@@H]1C1CC1 C1CSC[C@@H](C1)[*:1] O=C(N[*:1])N1CCOC[C@@H]1C1CC1
Nc1ccccc1NC(=O)N[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] Nc1ccccc1NC(=O)N[*:1]
Nc1cc(=O)[nH]c(CCNC(=O)c2csc(-c3cccs3)n2)n1 c1csc(c1)[*:1] Nc1cc(=O)[nH]c(CCNC(=O)c2csc(n2)[*:1])n1
CCCn1nc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c2ccccc2c1=O c1csc(c1)[*:1] CCCn1nc(C(=O)NC[C@@H]([NH+]2CCCC2)[*:1])c2ccccc2c1=O
CCCn1nc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c2ccccc2c1=O CCC[*:1] O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1nn(c(=O)c2ccccc12)[*:1]
Cc1cc2nc3sc(C(=O)NCCCc4ccccc4)cc(=O)n3c2cc1C c1ccc(cc1)C[*:1] Cc1cc2nc3sc(cc(=O)n3c2cc1C)C(=O)NCC[*:1]
Cc1cc2nc3sc(C(=O)NCCCc4ccccc4)cc(=O)n3c2cc1C c1ccc(cc1)[*:1] Cc1cc2nc3sc(cc(=O)n3c2cc1C)C(=O)NCCC[*:1]
Cc1cc2nc3sc(C(=O)NCCCc4ccccc4)cc(=O)n3c2cc1C c1ccc(cc1)CCC[*:1] Cc1cc2nc3sc(cc(=O)n3c2cc1C)C(=O)N[*:1]
Cc1cc2nc3sc(C(=O)NCCCc4ccccc4)cc(=O)n3c2cc1C c1ccc(cc1)CC[*:1] Cc1cc2nc3sc(cc(=O)n3c2cc1C)C(=O)NC[*:1]
CCOc1cccc(-c2cc(N)ccc2C)c1 CCO[*:1] Cc1ccc(N)cc1-c1cccc(c1)[*:1]
CC(=O)Nc1ccc2[nH]ccc2c1 CC(=O)N[*:1] c1cc2cc(ccc2[nH]1)[*:1]
CC(C)[C@@H](C(=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O O=C([O-])[*:1] CC(C)[C@@H](N1C(=O)c2cccc(c2C1=O)[N+](=O)[O-])[*:1]
CC(C)[C@@H](C(=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O O=[N+]([O-])[*:1] CC(C)[C@@H](C(=O)[O-])N1C(=O)c2cccc(c2C1=O)[*:1]
CC(C)[C@@H](C(=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O CC(C)[*:1] O=C([O-])[C@@H](N1C(=O)c2cccc(c2C1=O)[N+](=O)[O-])[*:1]
Cn1cc([C@H]2C[C@@H]2C(=O)NCCc2nc3c(F)cccc3n2C)cn1 Cn1cc(cn1)[*:1] Cn1c(CCNC(=O)[C@H]2C[C@@H]2[*:1])nc2c(F)cccc21
COc1ccc(F)c(NC(=O)N[C@H](c2ncc(C)s2)C2CC2)c1 C1CC1[*:1] COc1ccc(F)c(c1)NC(=O)N[C@H](c1ncc(C)s1)[*:1]
COc1ccc(F)c(NC(=O)N[C@H](c2ncc(C)s2)C2CC2)c1 Cc1cnc(s1)[*:1] COc1ccc(F)c(c1)NC(=O)N[C@H](C1CC1)[*:1]
CCCN[C@]1(C#N)CCC[C@@H](Sc2nnc(C)o2)C1 CCC[*:1] Cc1nnc(o1)S[C@@H]1CCC[C@](C#N)(C1)N[*:1]
CCCN[C@]1(C#N)CCC[C@@H](Sc2nnc(C)o2)C1 Cc1nnc(o1)[*:1] CCCN[C@]1(C#N)CCC[C@H](C1)S[*:1]
CCCN[C@]1(C#N)CCC[C@@H](Sc2nnc(C)o2)C1 CCCN[*:1] Cc1nnc(o1)S[C@@H]1CCC[C@@](C#N)(C1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1cccc(Br)c1)c1ccccc1 c1coc(c1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1cccc(Br)c1)[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1cccc(Br)c1)c1ccccc1 Brc1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1cccc(Br)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(Br)c2)N1Cc1ccco1
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1cccc(Br)c1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@H](c2cccc(Br)c2)N1Cc1ccco1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1cccc(Br)c1)c1ccccc1 c1coc(c1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(Br)c1)c1ccccc1
O=C(/C=C/c1ccc(Br)s1)OCCN1CCOC1=O O=C1OCCN1[*:1] O=C(/C=C/c1ccc(Br)s1)OCC[*:1]
O=C(/C=C/c1ccc(Br)s1)OCCN1CCOC1=O Brc1ccc(s1)[*:1] O=C(C=C[*:1])OCCN1CCOC1=O
Cc1cc(/C(C#N)=C/c2ccc(Oc3cnccn3)cc2)ccc1[N+](=O)[O-] c1cnc(cn1)O[*:1] Cc1cc(ccc1[N+](=O)[O-])/C(C#N)=C/c1ccc(cc1)[*:1]
Cc1cc(/C(C#N)=C/c2ccc(Oc3cnccn3)cc2)ccc1[N+](=O)[O-] c1cnc(cn1)[*:1] Cc1cc(ccc1[N+](=O)[O-])/C(C#N)=C/c1ccc(cc1)O[*:1]
Cc1cc(/C(C#N)=C/c2ccc(Oc3cnccn3)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])/C(C#N)=C/c1ccc(cc1)Oc1cnccn1
CC(C)(C)[NH2+]CCNC(=O)c1c(O)cc(Cl)cc1Cl CC(C)(C)[*:1] O=C(NCC[NH2+][*:1])c1c(O)cc(Cl)cc1Cl
Cc1occc1-c1nnc(SCn2nnc3ccccc3c2=O)o1 Cc1occc1[*:1] O=c1c2ccccc2nnn1CSc1nnc(o1)[*:1]
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccs1 CCCOC(=O)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1[*:1])c1cccs1
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccs1 CCC[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)O[*:1])c1cccs1
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccs1 c1csc(c1)[*:1] CCCOC(=O)C1=C(C)NC2CCCC(=O)C=2[C@@H]1[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)c2cccc(-n3cccn3)n2)C1 c1cnn(c1)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)c1cccc(n1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)c2cccc(-n3cccn3)n2)C1 CC(=O)NC[*:1] O=C(c1cccc(n1)-n1cccn1)N1CCC[C@@H](C1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)c2cccc(-n3cccn3)n2)C1 CC(=O)N[*:1] O=C(c1cccc(n1)-n1cccn1)N1CCC[C@@H](C1)C[*:1]
CCOC(=O)Nc1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2 CCOC(=O)N[*:1] Cc1ccc2Oc3ccc(cc3C(=O)Nc2c1)[*:1]
COc1cccc(CNC(=O)COc2ccc(C(C)C)cc2)c1 CC(C)[*:1] COc1cccc(c1)CNC(=O)COc1ccc(cc1)[*:1]
NC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]2CC[C@@H]1O2 c1ccc(cc1)[*:1] NC(=O)CCN(C[*:1])C(=O)[C@H]1C[C@H]2CC[C@@H]1O2
NC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]2CC[C@@H]1O2 NC(=O)CC[*:1] O=C([C@H]1C[C@H]2CC[C@@H]1O2)N(Cc1ccccc1)[*:1]
NC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]2CC[C@@H]1O2 c1ccc(cc1)C[*:1] NC(=O)CCN(C(=O)[C@H]1C[C@H]2CC[C@@H]1O2)[*:1]
NC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]2CC[C@@H]1O2 NC(=O)[*:1] O=C([C@H]1C[C@H]2CC[C@@H]1O2)N(CC[*:1])Cc1ccccc1
NC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]2CC[C@@H]1O2 NC(=O)C[*:1] O=C([C@H]1C[C@H]2CC[C@@H]1O2)N(Cc1ccccc1)C[*:1]
COCCc1noc([C@H](C)Nc2nc3c(s2)c(C)nn3C)n1 COC[*:1] Cc1nn(C)c2nc(N[C@@H](C)c3nc(C[*:1])no3)sc12
COCCc1noc([C@H](C)Nc2nc3c(s2)c(C)nn3C)n1 COCC[*:1] Cc1nn(C)c2nc(N[C@@H](C)c3nc(no3)[*:1])sc12
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCc2ccccc2C1 FC(F)(F)[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)N1CCc2ccccc2C1)[*:1]
CC(C)c1ncc(Cl)c(C(=O)N[C@H](C)c2nc[nH]n2)n1 CC(C)[*:1] C[C@@H](NC(=O)c1nc(ncc1Cl)[*:1])c1nc[nH]n1
CC(C)CC(C)(C)CNC(=O)N1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 CC(C)CC(C)(C)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)C1CCN(CC1)C(=O)NC[*:1]
CC(C)CC(C)(C)CNC(=O)N1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 CC(C)C[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)C1CCN(CC1)C(=O)NCC(C)(C)[*:1]
CC(C)CC(C)(C)CNC(=O)N1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 CC(C)CC(C)(C)C[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)C1CCN(CC1)C(=O)N[*:1]
CC(C)CC(C)(C)CNC(=O)N1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)C1CCN(CC1)C(=O)NCC(C)(C)C[*:1]
Cc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)Nc3ccccc3C)c2cc1C Cc1ccccc1[*:1] Cc1cc2nc(c(=O)n(CC(=O)N[*:1])c2cc1C)C(F)(F)F
Cc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)Nc3ccccc3C)c2cc1C FC(F)(F)[*:1] Cc1cc2nc(c(=O)n(CC(=O)Nc3ccccc3C)c2cc1C)[*:1]
C[C@@H]([NH2+]C[C@@H]1CNc2c(C(N)=O)cnn2C1)c1cccc2ccccc12 NC(=O)[*:1] C[C@@H]([NH2+]C[C@@H]1CNc2c(cnn2C1)[*:1])c1cccc2ccccc12
COc1cc(C)c(SCCC(=O)Nc2cccc(C#N)c2)cc1OC N#Cc1cccc(c1)[*:1] COc1cc(C)c(cc1OC)SCCC(=O)N[*:1]
CN(C(=O)CNC(=O)OCc1ccccc1)C1CCOCC1 c1ccc(cc1)C[*:1] CN(C(=O)CNC(=O)O[*:1])C1CCOCC1
CN(C(=O)CNC(=O)OCc1ccccc1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)CNC(=O)OCc1ccccc1)[*:1]
CN(C(=O)CNC(=O)OCc1ccccc1)C1CCOCC1 c1ccc(cc1)[*:1] CN(C(=O)CNC(=O)OC[*:1])C1CCOCC1
CC(C)(C)OC(=O)N1CCC[C@H](Oc2nccc(Cl)n2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)Oc1nccc(Cl)n1
CC(C)(C)OC(=O)N1CCC[C@H](Oc2nccc(Cl)n2)C1 Clc1ccnc(n1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)O[*:1]
O=c1c2ccccc2ncn1-c1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=c1c2ccccc2ncn1-c1ccc(Cl)c(c1)[*:1]
O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[NH+](C2CC2)CC1 c1ccc(cc1)CC[*:1] O=C(NCc1[nH+]ccn1[*:1])N1CC[NH+](CC1)C1CC1
O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[NH+](C2CC2)CC1 c1ccc(cc1)[*:1] O=C(NCc1[nH+]ccn1CC[*:1])N1CC[NH+](CC1)C1CC1
O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[NH+](C2CC2)CC1 C1CC1[*:1] O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[NH+](CC1)[*:1]
O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[NH+](C2CC2)CC1 c1ccc(cc1)C[*:1] O=C(NCc1[nH+]ccn1C[*:1])N1CC[NH+](CC1)C1CC1
COC(=O)[C@]1(F)CCN(C(=O)NCCc2ccccc2Cl)C1 COC(=O)[*:1] O=C(NCCc1ccccc1Cl)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)NCCc2ccccc2Cl)C1 Clc1ccccc1[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)NCC[*:1]
C[C@H](O)CC(C)(C)C[NH2+][C@H](C)C(C)(C)C C[C@H](O)C[*:1] C[C@@H]([NH2+]CC(C)(C)[*:1])C(C)(C)C
C[C@H](O)CC(C)(C)C[NH2+][C@H](C)C(C)(C)C C[C@H](O)[*:1] C[C@@H]([NH2+]CC(C)(C)C[*:1])C(C)(C)C
C[C@H](O)CC(C)(C)C[NH2+][C@H](C)C(C)(C)C CC(C)(C)[*:1] C[C@H](O)CC(C)(C)C[NH2+][C@H](C)[*:1]
Cc1cc(NC(=O)CCCOc2ccccc2C)no1 Cc1cc(no1)[*:1] Cc1ccccc1OCCCC(=O)N[*:1]
COC(=O)c1cccnc1-n1c(=O)[nH]c2ncccc2c1=O COC(=O)[*:1] O=c1[nH]c2ncccc2c(=O)n1-c1ncccc1[*:1]
COc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 CC(=O)N[*:1] COc1ccc(cc1)NC(=O)C[C@@H](c1ccccc1)[*:1]
COc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)C[C@@H](NC(C)=O)[*:1]
O=C(NCc1ccc(Cl)nc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 Clc1ccc(cn1)[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(C1)CC(F)(F)F
O=C(NCc1ccc(Cl)nc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCc1ccc(Cl)nc1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(NCc1ccc(Cl)nc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(NCc1ccc(Cl)nc1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC2(c3cccc(F)c3)CC2)C1 CC(C)(C)[*:1] O=C(NC1(CC1)c1cccc(F)c1)[C@H]1CCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC2(c3cccc(F)c3)CC2)C1 Fc1cccc(c1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)NC1(CC1)[*:1]
O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl)C1CC1 Clc1ccccc1[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1C[*:1])C1CC1
O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl)C1CC1 Clc1ccccc1C[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1])C1CC1
O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl)C1CC1 C1CC1[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl)[*:1]
CCOc1ccc2c(c1)=[NH+][C@@H](SCc1ccccc1Cl)[NH+]=2 Clc1ccccc1[*:1] CCOc1ccc2=[NH+][C@@H]([NH+]=c2c1)SC[*:1]
CCOc1ccc2c(c1)=[NH+][C@@H](SCc1ccccc1Cl)[NH+]=2 CCO[*:1] Clc1ccccc1CS[C@H]1[NH+]=c2ccc(cc2=[NH+]1)[*:1]
CCCN(C(C)C)[C@@H](C[NH3+])c1ccc(Br)cc1F CCC[*:1] CC(C)N([C@@H](C[NH3+])c1ccc(Br)cc1F)[*:1]
CCCN(C(C)C)[C@@H](C[NH3+])c1ccc(Br)cc1F CC(C)[*:1] CCCN([C@@H](C[NH3+])c1ccc(Br)cc1F)[*:1]
O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(-c4ccccc4)[nH]n3)C2)nc1 O=[N+]([O-])[*:1] c1ccc(cc1)-c1cc(CN2CC[C@@H](C2)Nc2ccc(cn2)[*:1])n[nH]1
O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(-c4ccccc4)[nH]n3)C2)nc1 O=[N+]([O-])c1ccc(nc1)[*:1] c1ccc(cc1)-c1cc(CN2CC[C@@H](C2)N[*:1])n[nH]1
O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(-c4ccccc4)[nH]n3)C2)nc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(nc1)N[C@H]1CCN(Cc2cc([nH]n2)[*:1])C1
CCC[C@@H](CC)n1cc(C#N)c([O-])nc1=O CCC[*:1] CC[C@@H](n1cc(C#N)c([O-])nc1=O)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCCc1ccc2c(c1)OCCO2 CC[C@H](C)NC(=O)[*:1] C[C@H](NC(=O)NCCc1ccc2OCCOc2c1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCCc1ccc2c(c1)OCCO2 CC[C@H](C)[*:1] C[C@H](NC(=O)NCCc1ccc2OCCOc2c1)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1 CCC[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1cn[nH]c(=O)c1
CCCCNC(=O)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1 CCCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1cn[nH]c(=O)c1
CCOc1ccc(CN2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)cc1 O=c1ccccn1[*:1] CCOc1ccc(cc1)CN1CCN(CC1)C(=O)c1ccc(C[*:1])o1
CCOc1ccc(CN2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)cc1 CCO[*:1] O=C(c1ccc(Cn2ccccc2=O)o1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CCOc1ccc(CN2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(c1ccc(Cn2ccccc2=O)o1)N1CCN(CC1)C[*:1]
CCOc1ccc(CN2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)cc1 O=c1ccccn1C[*:1] CCOc1ccc(cc1)CN1CCN(CC1)C(=O)c1ccc(o1)[*:1]
CCOc1ccc(CN2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)cc1 CCOc1ccc(cc1)C[*:1] O=C(c1ccc(Cn2ccccc2=O)o1)N1CCN(CC1)[*:1]
C[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1 CC(C)(C)[*:1] O=C(NNc1ccc(Cl)nn1)Nc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1 Clc1ccc(nn1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)NN[*:1]
CC(C)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCc3ccccc32)cc1 CC(C)[*:1] O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1OCCCC(=O)Nc1cc(Cl)ccc1C(N)=O NC(=O)[*:1] Cc1ccccc1OCCCC(=O)Nc1cc(Cl)ccc1[*:1]
Cc1ccccc1OCCCC(=O)Nc1cc(Cl)ccc1C(N)=O Cc1ccccc1O[*:1] NC(=O)c1ccc(Cl)cc1NC(=O)CCC[*:1]
Cc1ccccc1OCCCC(=O)Nc1cc(Cl)ccc1C(N)=O Cc1ccccc1[*:1] NC(=O)c1ccc(Cl)cc1NC(=O)CCCO[*:1]
COc1cccc(-c2noc(CSc3cccc[n+]3[O-])n2)c1 [O-][n+]1ccccc1[*:1] COc1cccc(c1)-c1noc(CS[*:1])n1
C[C@H](CO)CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 N#Cc1ccccc1[*:1] C[C@H](CO)CNC(=O)NCc1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)N[C@H](C)c2nnc3ccccn23)cc1 CCO[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1nnc2ccccn12
Cc1ccccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C Cc1ccccc1OC[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(n1C)[*:1]
Cc1ccccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C Cc1ccccc1O[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C[*:1])n1C
Cc1ccccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C Cc1ccccc1[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CO[*:1])n1C
COC[C@@H](NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccco1 c1coc(c1)[*:1] COC[C@@H](NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])[*:1]
COC[C@@H](NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccco1 COC[*:1] Cc1cc(c(cc1C)S(=O)(=O)N[C@@H](c1ccco1)[*:1])[N+](=O)[O-]
COC[C@@H](NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccco1 O=[N+]([O-])[*:1] COC[C@@H](NS(=O)(=O)c1cc(C)c(C)cc1[*:1])c1ccco1
C[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cccc(C(F)(F)F)c1 C[C@@H](O)CC(C)(C)[*:1] C[C@H]([NH2+]C[*:1])c1cccc(c1)C(F)(F)F
C[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cccc(C(F)(F)F)c1 C[C@@H](O)C[*:1] C[C@H]([NH2+]CC(C)(C)[*:1])c1cccc(c1)C(F)(F)F
C[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cccc(C(F)(F)F)c1 C[C@@H](O)[*:1] C[C@H]([NH2+]CC(C)(C)C[*:1])c1cccc(c1)C(F)(F)F
C[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cccc(c1)[*:1]
CC(C)CNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)NC(=O)NC[*:1]
CC(C)CNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)C[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)NC(=O)N[*:1]
CC(C)CNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC(C)CNC(=O)N[C@H]1CCCN(C1)C(=O)O[*:1]
CCCCS(=O)(=O)N(C)Cc1csc(Br)c1 CCC[*:1] CN(Cc1csc(Br)c1)S(=O)(=O)C[*:1]
CCCCS(=O)(=O)N(C)Cc1csc(Br)c1 CCCC[*:1] CN(Cc1csc(Br)c1)S(=O)(=O)[*:1]
CC(C)([NH3+])COc1nc(Br)cs1 CC(C)([NH3+])[*:1] Brc1csc(n1)OC[*:1]
C=CCNC(=O)c1cc2sccc2n1Cc1ccc(Br)cc1 C=CCNC(=O)[*:1] Brc1ccc(cc1)Cn1c(cc2sccc21)[*:1]
C=CCNC(=O)c1cc2sccc2n1Cc1ccc(Br)cc1 C=CC[*:1] O=C(N[*:1])c1cc2sccc2n1Cc1ccc(Br)cc1
C=CCNC(=O)c1cc2sccc2n1Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C=CCNC(=O)c1cc2sccc2n1C[*:1]
COc1coc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)c1OC c1cc(ccn1)[*:1] COc1coc(C(=O)N2CCC(CC2)c2noc(n2)[*:1])c1OC
COc1coc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)c1OC COc1coc(c1OC)[*:1] O=C(N1CCC(CC1)c1noc(n1)-c1ccncc1)[*:1]
CCOC(=O)c1ccc2ncc3c(c2c1)NCCNC3=O CCOC(=O)[*:1] O=C1NCCNc2c1cnc1ccc(cc21)[*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@H](Oc2ccccc2F)C1 O=C([O-])[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)Oc1ccccc1F)[*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@H](Oc2ccccc2F)C1 CC(C)[*:1] O=C([O-])[C@@]1(CC[C@@H](C1)Oc1ccccc1F)[NH2+][*:1]
C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2c(-c3ccccc3)csc2n1 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2c(csc2n1)[*:1]
CCSc1nnc([C@H](C)NC(=O)c2ccccc2F)n1C Fc1ccccc1[*:1] CCSc1nnc([C@H](C)NC(=O)[*:1])n1C
CCSc1nnc([C@H](C)NC(=O)c2ccccc2F)n1C CCS[*:1] C[C@H](NC(=O)c1ccccc1F)c1nnc(n1C)[*:1]
CNC(=O)c1ccc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 FC(F)(F)[*:1] CNC(=O)c1ccc(cc1)CNC(=O)N[C@@H](C[*:1])c1ccc(F)cc1
CNC(=O)c1ccc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)CNC(=O)N[C@@H](CC(F)(F)F)[*:1]
CNC(=O)c1ccc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 CNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@@H](CC(F)(F)F)c1ccc(F)cc1
CNC(=O)c1ccc(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 FC(F)(F)C[*:1] CNC(=O)c1ccc(cc1)CNC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
Cc1[nH]ncc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 N#CCCC[*:1] Cc1[nH]ncc1S(=O)(=O)[N-]c1cccc(c1)O[*:1]
Cc1[nH]ncc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 N#CCCCO[*:1] Cc1[nH]ncc1S(=O)(=O)[N-]c1cccc(c1)[*:1]
Cc1[nH]ncc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 N#CC[*:1] Cc1[nH]ncc1S(=O)(=O)[N-]c1cccc(c1)OCC[*:1]
Cc1[nH]ncc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 N#CCC[*:1] Cc1[nH]ncc1S(=O)(=O)[N-]c1cccc(c1)OC[*:1]
Cc1[nH]ncc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 Cc1[nH]ncc1[*:1] N#CCCCOc1cccc(c1)[N-]S(=O)(=O)[*:1]
[NH3+]CC[C@@H]1CCCCN1C/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] [NH3+]CC[C@@H]1CCCCN1C[*:1]
[NH3+]CC[C@@H]1CCCCN1C/C(Cl)=C/Cl [NH3+]CC[*:1] Cl/C=C(\Cl)CN1CCCC[C@H]1[*:1]
O=C(OC[C@H]1CC1(Cl)Cl)[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(OC[C@H]1CC1(Cl)Cl)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(OC[C@H]1CC1(Cl)Cl)[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(OC[C@H]1CC1(Cl)Cl)[C@@H]1CC(=O)N(CC[*:1])C1
C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H]1C)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]1CC[C@@H]([NH2+][C@@H](C)[C@@H](C)[*:1])[C@@H]1C
C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H]1C)[C@@H](C)C(=O)[O-] C[C@@H](C(=O)[O-])[*:1] C[C@H]1CC[C@@H]([NH2+][C@@H](C)[*:1])[C@@H]1C
CC[C@H](CNC(=O)N1C[C@H](C)O[C@H](C)C1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CNC(=O)N1C[C@H](C)O[C@H](C)C1)[*:1]
CC(C)(C)c1nnc(-c2ccccc2N)o1 CC(C)(C)[*:1] Nc1ccccc1-c1nnc(o1)[*:1]
Cc1ccc(-c2noc([C@@H](C)N(C)Cc3cnccn3)n2)cc1F c1cnc(cn1)C[*:1] Cc1ccc(cc1F)-c1noc(n1)[C@@H](C)N(C)[*:1]
Cc1ccc(-c2noc([C@@H](C)N(C)Cc3cnccn3)n2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](c1nc(no1)[*:1])N(C)Cc1cnccn1
Cc1ccc(-c2noc([C@@H](C)N(C)Cc3cnccn3)n2)cc1F c1cnc(cn1)[*:1] Cc1ccc(cc1F)-c1noc(n1)[C@@H](C)N(C)C[*:1]
Cc1nnn(-c2ccccc2)c1C(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1nnn(-c2ccccc2)c1[*:1]
Cc1nnn(-c2ccccc2)c1C(=O)NC1CC1 c1ccc(cc1)[*:1] Cc1nnn(c1C(=O)NC1CC1)[*:1]
Cc1nnn(-c2ccccc2)c1C(=O)NC1CC1 C1CC1[*:1] Cc1nnn(-c2ccccc2)c1C(=O)N[*:1]
CN/C(=[NH+]\C)SCc1ccc(OC)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN/C(=[NH+]\C)SCc1ccc(OC)c(c1)[*:1]
CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CC(=O)N[*:1] C[C@@H](C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CCN(C(=O)Nc1cccc(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] CCN(C(=O)Nc1cccc(c1)OC[*:1])[C@@H]1CCS(=O)(=O)C1
CCN(C(=O)Nc1cccc(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 CC(C)CO[*:1] CCN(C(=O)Nc1cccc(c1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCN(C(=O)Nc1cccc(OCC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 CC(C)C[*:1] CCN(C(=O)Nc1cccc(c1)O[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1cc(Cl)cc(Cl)c1 FC(F)(F)[*:1] O=C(Nc1ncc(cc1Cl)[*:1])c1cc(Cl)cc(Cl)c1
CN(C)c1ccc(NC(=O)c2ccoc2)cn1 c1cc(co1)[*:1] CN(C)c1ccc(cn1)NC(=O)[*:1]
CN(C)c1ccc(NC(=O)c2ccoc2)cn1 CN(C)[*:1] O=C(Nc1ccc(nc1)[*:1])c1ccoc1
O=C(CC1=c2ccccc2=[NH+]C1)OCc1nc2ccccc2c(=O)n1Cc1ccco1 c1coc(c1)[*:1] O=C(CC1C[NH+]=c2ccccc2=1)OCc1nc2ccccc2c(=O)n1C[*:1]
O=C(CC1=c2ccccc2=[NH+]C1)OCc1nc2ccccc2c(=O)n1Cc1ccco1 c1coc(c1)C[*:1] O=C(CC1C[NH+]=c2ccccc2=1)OCc1nc2ccccc2c(=O)n1[*:1]
CC(=O)OC1CC[NH+](Cc2c(C)nc3sc(C)cn23)CC1 CC(=O)O[*:1] Cc1cn2c(C[NH+]3CCC(CC3)[*:1])c(C)nc2s1
CC(C)[C@H](C[NH2+]Cc1cccc2cccnc12)N1CCOCC1 CC(C)[*:1] c1cnc2c(cccc2c1)C[NH2+]C[C@H](N1CCOCC1)[*:1]
CC(C)[C@H](C[NH2+]Cc1cccc2cccnc12)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@H](C[NH2+]Cc1cccc2cccnc12)[*:1]
CC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)c2nc(C)cs2)c1 CC(=O)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)c2nc(C)cs2)c1 Cc1csc(n1)[*:1] CC(=O)c1cccc(c1)NC(=O)C(=O)N[C@H](C)[*:1]
C[C@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(-n2cncn2)c1 N#CCS[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])c1cccc(c1)-n1cncn1
C[C@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(-n2cncn2)c1 c1ncn(n1)[*:1] C[C@H](NC(=O)c1cccc(c1)SCC#N)c1cccc(c1)[*:1]
C[C@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(-n2cncn2)c1 N#CC[*:1] C[C@H](NC(=O)c1cccc(c1)S[*:1])c1cccc(c1)-n1cncn1
O=C([C@@H]1N=C2SC=CN2[C@@H]1CN1CC[C@@H]2N=CN=C2[C@H]1c1ccncc1)N1CCCCC1 c1cc(ccn1)[*:1] O=C([C@@H]1N=C2SC=CN2[C@@H]1CN1CC[C@@H]2N=CN=C2[C@@H]1[*:1])N1CCCCC1
O=C([C@@H]1N=C2SC=CN2[C@@H]1CN1CC[C@@H]2N=CN=C2[C@H]1c1ccncc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] C1=CN2C(=N[C@H]([C@H]2CN2CC[C@@H]3N=CN=C3[C@H]2c2ccncc2)[*:1])S1
CCOC[C@@H]1CCN(C(=O)[C@H](C)Cc2ccccc2)C1 CCOC[*:1] C[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)[C@H](C)Cc2ccccc2)C1 c1ccc(cc1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)[C@H](C)C[*:1]
CCOC[C@@H]1CCN(C(=O)[C@H](C)Cc2ccccc2)C1 CCO[*:1] C[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C1)C[*:1]
CSc1ncccc1C(=O)N1CSC[C@H]1C(=O)[O-] O=C([O-])[*:1] CSc1ncccc1C(=O)N1CSC[C@@H]1[*:1]
CCN(c1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)cc1)C(C)C CCN(C(C)C)[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)Nc1ccc(cc1)[*:1]
CCN(c1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)cc1)C(C)C CC(C)[*:1] CCN(c1ccc(cc1)NC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC)[*:1]
Cc1c(Cl)cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(Cl)cc(cc1[*:1])S(=O)(=O)NNC(=O)c1cc2CCCCCc2s1
CO[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)N[C@H](C[*:1])C(=O)N(C)C)c1ccccc1
CO[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 c1ccc(cc1)C[*:1] CO[C@H](C(=O)N[C@H](C(=O)N(C)C)[*:1])c1ccccc1
CO[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 CN(C)C(=O)[*:1] CO[C@H](C(=O)N[C@H](Cc1ccccc1)[*:1])c1ccccc1
CO[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)[*:1]
Cc1c(C(=O)N2CCC(C(N)=O)CC2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC(CC1)C(N)=O
Cc1c(C(=O)N2CCC(C(N)=O)CC2)cnn1-c1ccc(F)cc1 NC(=O)[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)N1CCC(CC1)[*:1]
N#Cc1c(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)sc2c1CCCC2 Fc1ccc(cc1)[*:1] N#Cc1c(NC(=O)COCc2cc(on2)[*:1])sc2CCCCc21
C[C@H]1CCc2nc(CN3CCN(C(=O)CC(F)(F)F)CC3)sc2C1 FC(F)(F)[*:1] C[C@H]1CCc2nc(CN3CCN(CC3)C(=O)C[*:1])sc2C1
C[C@H]1CCc2nc(CN3CCN(C(=O)CC(F)(F)F)CC3)sc2C1 FC(F)(F)C[*:1] C[C@H]1CCc2nc(CN3CCN(CC3)C(=O)[*:1])sc2C1
CCN1C(=O)C[C@@](CC(=O)N2CCN(c3ccccc3O)CC2)(c2cccc(C(F)(F)F)c2)C1=O FC(F)(F)c1cccc(c1)[*:1] CCN1C(=O)C[C@@](CC(=O)N2CCN(CC2)c2ccccc2O)(C1=O)[*:1]
CCN1C(=O)C[C@@](CC(=O)N2CCN(c3ccccc3O)CC2)(c2cccc(C(F)(F)F)c2)C1=O Oc1ccccc1[*:1] CCN1C(=O)C[C@](CC(=O)N2CCN(CC2)[*:1])(C1=O)c1cccc(c1)C(F)(F)F
CCN1C(=O)C[C@@](CC(=O)N2CCN(c3ccccc3O)CC2)(c2cccc(C(F)(F)F)c2)C1=O FC(F)(F)[*:1] CCN1C(=O)C[C@](CC(=O)N2CCN(CC2)c2ccccc2O)(C1=O)c1cccc(c1)[*:1]
OCCCc1nc2ccncc2[n-]1 OCC[*:1] c1cc2nc(C[*:1])[n-]c2cn1
OCCCc1nc2ccncc2[n-]1 OCCC[*:1] c1cc2nc([n-]c2cn1)[*:1]
COCCOC(=O)c1nc(C2CC2)n2ccccc12 COCC[*:1] O=C(O[*:1])c1nc(C2CC2)n2ccccc12
COCCOC(=O)c1nc(C2CC2)n2ccccc12 COC[*:1] O=C(OC[*:1])c1nc(C2CC2)n2ccccc12
COCCOC(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] COCCOC(=O)c1nc(n2ccccc12)[*:1]
O=C(NC(=S)Nc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] Oc1ccc(cc1)[*:1] O=C(NC(=S)N[*:1])c1ccccc1[N+](=O)[O-]
O=C(NC(=S)Nc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccc(O)cc1)c1ccccc1[*:1]
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@H]1[*:1]
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@@H]1c1ccco1 Fc1ccc(cc1)[*:1] O=C(N[C@H](CC(F)(F)F)[*:1])N1CCC[C@@H]1c1ccco1
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@@H]1c1ccco1 FC(F)(F)[*:1] O=C(N[C@H](C[*:1])c1ccc(F)cc1)N1CCC[C@@H]1c1ccco1
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@@H]1c1ccco1 FC(F)(F)C[*:1] O=C(N[C@H](c1ccc(F)cc1)[*:1])N1CCC[C@@H]1c1ccco1
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)CC1 CC(C)C[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)C1CCC1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)CC1 CC(C)CCNC(=O)[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)C1CCC1)S(=O)(=O)N1CCC(CC1)[*:1]
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)CC1 CC(C)[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)C1CCC1)S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)CC1 CC(C)CC[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)C1CCC1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)CC1 C1CC(C1)[*:1] CC(C)CCNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)[*:1]
CC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F O=[N+]([O-])[*:1] CC(C(=O)Nc1ccc(cc1[*:1])[N+](=O)[O-])(C(F)(F)F)C(F)(F)F
CC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F O=[N+]([O-])[*:1] CC(C(=O)Nc1ccc(cc1[N+](=O)[O-])[*:1])(C(F)(F)F)C(F)(F)F
CC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] CC(C(=O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(C(F)(F)F)[*:1]
COc1cc(-c2noc(C)n2)ccc1OCc1ccccc1F Fc1ccccc1[*:1] COc1cc(ccc1OC[*:1])-c1noc(C)n1
COc1cc(-c2noc(C)n2)ccc1OCc1ccccc1F Cc1nc(no1)[*:1] COc1cc(ccc1OCc1ccccc1F)[*:1]
O=C([C@H]1COc2ccccc2O1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 Clc1cccc(c1)[*:1] O=C([C@H]1COc2ccccc2O1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C([C@H]1COc2ccccc2O1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 Clc1cccc(c1)C[*:1] O=C([C@H]1COc2ccccc2O1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@@H](CNC(=O)N(C)Cc1nccs1)N1CCOC[C@H]1C c1csc(C[*:1])n1 C[C@@H](CNC(=O)N(C)[*:1])N1CCOC[C@H]1C
C[C@@H](CNC(=O)N(C)Cc1nccs1)N1CCOC[C@H]1C c1csc(n1)[*:1] C[C@@H](CNC(=O)N(C)C[*:1])N1CCOC[C@H]1C
C[C@@H](CNC(=O)N(C)Cc1nccs1)N1CCOC[C@H]1C C[C@@H]1COCCN1[*:1] C[C@@H](CNC(=O)N(C)Cc1nccs1)[*:1]
FC(F)(F)Cc1ccc(NCc2ncn(-c3ccccc3)n2)cc1 FC(F)(F)[*:1] c1ccc(cc1)-n1cnc(CNc2ccc(cc2)C[*:1])n1
FC(F)(F)Cc1ccc(NCc2ncn(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] FC(F)(F)Cc1ccc(cc1)NCc1ncn(n1)[*:1]
FC(F)(F)Cc1ccc(NCc2ncn(-c3ccccc3)n2)cc1 FC(F)(F)C[*:1] c1ccc(cc1)-n1cnc(CNc2ccc(cc2)[*:1])n1
COc1ccc2cc([C@@H](C)OC(=O)c3cc(C(N)=O)cn3C)ccc2c1 NC(=O)[*:1] COc1ccc2cc(ccc2c1)[C@@H](C)OC(=O)c1cc(cn1C)[*:1]
N#Cc1ccc(OCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccc(O)cc1
N#Cc1ccc(OCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 Oc1ccc(cc1)[*:1] N#Cc1ccc(cc1)OCC(=O)N1CCN(CC1)[*:1]
Cc1cnc(CN2CCN(C(=O)c3ccccc3O)CC2)o1 Cc1cnc(o1)[*:1] O=C(c1ccccc1O)N1CCN(CC1)C[*:1]
Cc1cnc(CN2CCN(C(=O)c3ccccc3O)CC2)o1 Cc1cnc(C[*:1])o1 O=C(c1ccccc1O)N1CCN(CC1)[*:1]
Cc1cnc(CN2CCN(C(=O)c3ccccc3O)CC2)o1 Oc1ccccc1[*:1] Cc1cnc(CN2CCN(CC2)C(=O)[*:1])o1
CC(C)c1nn(-c2ccccc2)cc1CN1CCOC[C@@H]1C#N c1ccc(cc1)[*:1] CC(C)c1nn(cc1CN1CCOC[C@@H]1C#N)[*:1]
CC(C)c1nn(-c2ccccc2)cc1CN1CCOC[C@@H]1C#N CC(C)[*:1] N#C[C@H]1COCCN1Cc1cn(nc1[*:1])-c1ccccc1
Cc1cccc(-c2cccc(CNC(=O)NCc3ccc(C(N)=O)o3)c2)c1 NC(=O)c1ccc(C[*:1])o1 Cc1cccc(c1)-c1cccc(c1)CNC(=O)N[*:1]
Cc1cccc(-c2cccc(CNC(=O)NCc3ccc(C(N)=O)o3)c2)c1 NC(=O)[*:1] Cc1cccc(c1)-c1cccc(c1)CNC(=O)NCc1ccc(o1)[*:1]
Cc1cccc(-c2cccc(CNC(=O)NCc3ccc(C(N)=O)o3)c2)c1 NC(=O)c1ccc(o1)[*:1] Cc1cccc(c1)-c1cccc(c1)CNC(=O)NC[*:1]
Cc1cccc(-c2cccc(CNC(=O)NCc3ccc(C(N)=O)o3)c2)c1 Cc1cccc(c1)[*:1] NC(=O)c1ccc(CNC(=O)NCc2cccc(c2)[*:1])o1
C[C@@H](Cl)CC(C)(C)[C@@H]1CCOC2(CCOCC2)C1 C[C@@H](Cl)[*:1] CC(C)(C[*:1])[C@@H]1CCOC2(CCOCC2)C1
C[C@@H](Cl)CC(C)(C)[C@@H]1CCOC2(CCOCC2)C1 C[C@@H](Cl)C[*:1] CC(C)([C@@H]1CCOC2(CCOCC2)C1)[*:1]
N#Cc1cc(Cl)nc(NNC(=O)CCn2ccccc2=O)c1 O=c1ccccn1[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)CC[*:1]
O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCCc2ccccc21 O=S(=O)(N1CCCC1)[*:1] O=C(CCCn1nnc2cc(ccc21)[*:1])N1CCCc2ccccc21
COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 COc1ccc(cc1)[*:1] C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[*:1]
COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)NC(=O)N(CC[NH+](C)C)C[*:1]
COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)NC(=O)N(CC[NH+](C)C)[*:1]
Nc1nc(CCNC(=O)[C@H](c2cccnc2)N2CCCC2)cs1 c1cncc(c1)[*:1] Nc1nc(cs1)CCNC(=O)[C@H](N1CCCC1)[*:1]
Nc1nc(CCNC(=O)[C@H](c2cccnc2)N2CCCC2)cs1 Nc1nc(cs1)C[*:1] O=C(NC[*:1])[C@H](c1cccnc1)N1CCCC1
Nc1nc(CCNC(=O)[C@H](c2cccnc2)N2CCCC2)cs1 Nc1nc(cs1)[*:1] O=C(NCC[*:1])[C@H](c1cccnc1)N1CCCC1
Nc1nc(CCNC(=O)[C@H](c2cccnc2)N2CCCC2)cs1 C1CCN(C1)[*:1] Nc1nc(cs1)CCNC(=O)[C@H](c1cccnc1)[*:1]
CCCNC(=O)CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21 CCCNC(=O)C[*:1] O=C(c1ccc2c(c1)N(C(=O)[C@H]1CCCCN21)[*:1])N1CCCC1
CCCNC(=O)CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21 CCCNC(=O)[*:1] O=C(c1ccc2c(c1)N(C[*:1])C(=O)[C@H]1CCCCN21)N1CCCC1
CCCNC(=O)CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21 O=C(N1CCCC1)[*:1] CCCNC(=O)CN1C(=O)[C@H]2CCCCN2c2ccc(cc21)[*:1]
CCCNC(=O)CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21 CCC[*:1] O=C(CN1C(=O)[C@H]2CCCCN2c2ccc(cc21)C(=O)N1CCCC1)N[*:1]
O=C(NCc1cccc(OCc2ccccc2)c1)N1CCC([NH+]2CCCC2)CC1 c1ccc(cc1)C[*:1] O=C(NCc1cccc(c1)O[*:1])N1CCC(CC1)[NH+]1CCCC1
O=C(NCc1cccc(OCc2ccccc2)c1)N1CCC([NH+]2CCCC2)CC1 c1ccc(cc1)[*:1] O=C(NCc1cccc(c1)OC[*:1])N1CCC(CC1)[NH+]1CCCC1
O=C(NCc1cccc(OCc2ccccc2)c1)N1CCC([NH+]2CCCC2)CC1 c1ccc(cc1)CO[*:1] O=C(NCc1cccc(c1)[*:1])N1CCC(CC1)[NH+]1CCCC1
C[C@H]1CN(C(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)C[C@@H](C)O1 C(=C[*:1])c1cccs1 C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@H]1CN(C(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)C[C@@H](C)O1 c1csc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)NC(=O)C=C[*:1]
COCC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(C)C FC(F)(F)[*:1] COCC(=O)O[C@H](c1cccc(c1)[*:1])C(C)C
COCC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(C)C CC(C)[*:1] COCC(=O)O[C@H](c1cccc(c1)C(F)(F)F)[*:1]
COCC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(C)C COC[*:1] CC(C)[C@H](OC(=O)[*:1])c1cccc(c1)C(F)(F)F
COCC(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(C)C COCC(=O)O[*:1] CC(C)[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
COC(=O)[C@](O)(c1c(N)n(-c2ccc(C)cc2)c(=S)[nH]c1=O)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@](O)(c1c(N)n(-c2ccc(C)cc2)c(=S)[nH]c1=O)[*:1]
COC(=O)[C@](O)(c1c(N)n(-c2ccc(C)cc2)c(=S)[nH]c1=O)C(F)(F)F Cc1ccc(cc1)[*:1] COC(=O)[C@](O)(c1c(N)n(c(=S)[nH]c1=O)[*:1])C(F)(F)F
COC(=O)[C@](O)(c1c(N)n(-c2ccc(C)cc2)c(=S)[nH]c1=O)C(F)(F)F COC(=O)[*:1] Cc1ccc(cc1)-n1c(N)c(c(=O)[nH]c1=S)[C@@](O)(C(F)(F)F)[*:1]
CCN(C(=O)c1c(C)oc2ncnc(N3CCOCC3)c12)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)c1c(C)oc2ncnc(c12)N1CCOCC1)[*:1]
CCN(C(=O)c1c(C)oc2ncnc(N3CCOCC3)c12)c1ccccc1C C1CN(CCO1)[*:1] CCN(C(=O)c1c(C)oc2ncnc(c12)[*:1])c1ccccc1C
NC(=O)[C@@H]1CCN(C(=O)NCc2ccccc2OC2CCCC2)C1 C1CCC(C1)O[*:1] NC(=O)[C@@H]1CCN(C1)C(=O)NCc1ccccc1[*:1]
NC(=O)[C@@H]1CCN(C(=O)NCc2ccccc2OC2CCCC2)C1 C1CCC(C1)[*:1] NC(=O)[C@@H]1CCN(C1)C(=O)NCc1ccccc1O[*:1]
NC(=O)[C@@H]1CCN(C(=O)NCc2ccccc2OC2CCCC2)C1 NC(=O)[*:1] O=C(NCc1ccccc1OC1CCCC1)N1CC[C@H](C1)[*:1]
Cc1cc(NC(=O)[C@H]2CSC(=O)N2)ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])NC(=O)[C@H]1CSC(=O)N1
Cc1cc(NC(=O)[C@H]2CSC(=O)N2)ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@H]1CSC(=O)N1
N#Cc1ccc(CNC(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] N#Cc1ccc(cc1)CNC(=O)NC[*:1]
N#Cc1ccc(CNC(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] N#Cc1ccc(cc1)CNC(=O)N[*:1]
COc1cccc([C@H](NC(=O)C2=NC=C([N+](=O)[O-])C2)c2nccn2C)c1 COc1cccc(c1)[*:1] Cn1ccnc1[C@@H](NC(=O)C1CC(=CN=1)[N+](=O)[O-])[*:1]
COc1cccc([C@H](NC(=O)C2=NC=C([N+](=O)[O-])C2)c2nccn2C)c1 O=[N+]([O-])[*:1] COc1cccc(c1)[C@H](NC(=O)C1CC(=CN=1)[*:1])c1nccn1C
COc1cccc([C@H](NC(=O)C2=NC=C([N+](=O)[O-])C2)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@H](NC(=O)C1CC(=CN=1)[N+](=O)[O-])[*:1]
C[NH2+]Cc1ccc(C[NH+](C)C2CCCCC2)nc1 C1CCC(CC1)[*:1] C[NH2+]Cc1ccc(C[NH+](C)[*:1])nc1
C[NH2+]Cc1ccc(C[NH+](C)C2CCCCC2)nc1 C[NH2+]C[*:1] C[NH+](Cc1ccc(cn1)[*:1])C1CCCCC1
Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1C(C)C N#Cc1ccc(cc1)[*:1] Cc1cc(C(=O)N(CC[NH+](C)C)C[*:1])c(C)n1C(C)C
Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1[*:1]
Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1C(C)C N#Cc1ccc(cc1)C[*:1] Cc1cc(C(=O)N(CC[NH+](C)C)[*:1])c(C)n1C(C)C
CC(=O)N1CCC([NH2+][C@H]2C[C@@H](Cc3cc(CN4CCN(c5ccccc5)CC4)on3)C2(C)C)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)[NH2+][C@H]1C[C@@H](Cc2cc(CN3CCN(CC3)[*:1])on2)C1(C)C
Cc1ccc(CCNc2ccccc2S(C)(=O)=O)cn1 CS(=O)(=O)[*:1] Cc1ccc(cn1)CCNc1ccccc1[*:1]
O=C(Nc1cnn(CC(F)F)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 FC(F)C[*:1] O=C(Nc1cnn(c1)[*:1])N1CCC[C@H](C1)C[NH+]1CCCCCC1
O=C(Nc1cnn(CC(F)F)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 FC(F)[*:1] O=C(Nc1cnn(c1)C[*:1])N1CCC[C@H](C1)C[NH+]1CCCCCC1
Cc1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)NC(=O)NC(C)(C)c1ccc(cc1)[*:1]
Cc1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 Cc1cccc(c1)[*:1] CC(C)(NC(=O)N[*:1])c1ccc(cc1)[N+](=O)[O-]
C=CCn1c(COc2ccc(OC)cc2)nc2ccccc21 C=CC[*:1] COc1ccc(cc1)OCc1nc2ccccc2n1[*:1]
CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2Br)c1 CC[C@H](C)[*:1] O=C(NC(=S)Nc1cc(ccc1O)[*:1])c1ccccc1Br
CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2Br)c1 Brc1ccccc1[*:1] CC[C@H](C)c1ccc(O)c(c1)NC(=S)NC(=O)[*:1]
COc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] COc1ccccc1/C=C1\SC(=O)N(C[*:1])C1=O
COc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O COc1ccccc1[*:1] O=C1SC(=C[*:1])C(=O)N1Cc1ccc(F)cc1
COc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)C[*:1] COc1ccccc1/C=C1\SC(=O)N(C1=O)[*:1]
CC1(C)CCCC[C@@H]1NC(=O)NC1(C(=O)[O-])CCCCC1 O=C([O-])[*:1] CC1(C)CCCC[C@@H]1NC(=O)NC1(CCCCC1)[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2F)C1 Brc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cc(ccc1F)C(=O)N[*:1]
Cc1ccc(CCC(=O)N2CCc3ccc(Cl)cc32)o1 Cc1ccc(o1)[*:1] O=C(CC[*:1])N1CCc2ccc(Cl)cc21
O=C([O-])c1ccc(C2SCCCS2)cc1 O=C([O-])[*:1] c1cc(ccc1C1SCCCS1)[*:1]
Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCC3CC[NH2+]CC3)ccc21 O[C@H]1CCN(C1)[*:1] Cn1c(nc2cc(ccc21)C(=O)NCC1CC[NH2+]CC1)[*:1]
CC(C)N(CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 CC(C)[*:1] O=C(CN(c1ccccc1)[*:1])N1CCN(CC1)C(=O)C(=O)N1CCCC1
CC(C)N(CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(CC(=O)N1CCN(CC1)C(=O)C(=O)N1CCCC1)[*:1]
Cc1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)OCC(=O)N1CCNC1=O
O=C1CCCN1Cc1ccccc1CNC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C1CCCN1Cc1ccccc1CNC(=O)N1CCOC[C@@H]1[*:1]
O=C1CCCN1Cc1ccccc1CNC(=O)N1CCOC[C@H]1C1CC1 O=C1CCCN1C[*:1] O=C(NCc1ccccc1[*:1])N1CCOC[C@H]1C1CC1
O=C1CCCN1Cc1ccccc1CNC(=O)N1CCOC[C@H]1C1CC1 O=C1CCCN1[*:1] O=C(NCc1ccccc1C[*:1])N1CCOC[C@H]1C1CC1
CCOc1cccnc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] CCOc1cccnc1C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
CCOc1cccnc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CCO[*:1] Cn1c(nc2cc(ccc21)NC(=O)c1ncccc1[*:1])C1CC1
CCCNC(=O)C1CN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] CCCNC(=O)C1CN(C1)C(=O)[*:1]
CCCNC(=O)C1CN(C(=O)c2cccs2)C1 CCC[*:1] O=C(N[*:1])C1CN(C1)C(=O)c1cccs1
Cc1ccccc1-c1cccc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 CC(C)(C)[*:1] Cc1ccccc1-c1cccc(n1)[C@H]1CCN(C1)C(=O)O[*:1]
Cc1ccccc1-c1cccc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 Cc1ccccc1[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)c1cccc(n1)[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2)C1CC1 O=C(N[*:1])C1CC1 O=S(=O)(c1ccc2OCCOc2c1)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2)C1CC1 C1CC1[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
CCOC(=O)CCNc1c(Cl)cccc1C(F)(F)F FC(F)(F)[*:1] CCOC(=O)CCNc1c(Cl)cccc1[*:1]
CCOC(=O)CCNc1c(Cl)cccc1C(F)(F)F CCOC(=O)[*:1] FC(F)(F)c1cccc(Cl)c1NCC[*:1]
CCOC(=O)CCNc1c(Cl)cccc1C(F)(F)F CCOC(=O)C[*:1] FC(F)(F)c1cccc(Cl)c1NC[*:1]
CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)CCC3CCCC3)CCO2)nc2ccccc12 C1CCC(C1)C[*:1] CC(C)NC(=O)c1cc(nc2ccccc12)[C@@H]1CN(CCO1)C(=O)C[*:1]
CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)CCC3CCCC3)CCO2)nc2ccccc12 CC(C)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)[C@@H]1CN(CCO1)C(=O)CCC1CCCC1
CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)CCC3CCCC3)CCO2)nc2ccccc12 CC(C)NC(=O)[*:1] O=C(CCC1CCCC1)N1CCO[C@@H](C1)c1cc(c2ccccc2n1)[*:1]
CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)CCC3CCCC3)CCO2)nc2ccccc12 C1CCC(C1)[*:1] CC(C)NC(=O)c1cc(nc2ccccc12)[C@@H]1CN(CCO1)C(=O)CC[*:1]
CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)CCC3CCCC3)CCO2)nc2ccccc12 C1CCC(C1)CC[*:1] CC(C)NC(=O)c1cc(nc2ccccc12)[C@@H]1CN(CCO1)C(=O)[*:1]
COc1cc(/C([O-])=N/S(=O)(=O)c2ccc(Cl)cc2F)cc(OC)c1C Fc1cc(Cl)ccc1[*:1] COc1cc(cc(OC)c1C)/C([O-])=N/S(=O)(=O)[*:1]
C[C@H]([NH2+][C@H](C)c1ccccn1)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+][C@H](C)c1ccccn1)[C@@H](C)[*:1]
COC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1cccc(C)c1 COC(=O)[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1ccsc1[*:1]
COC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1cccc(C)c1 Cc1cccc(c1)[*:1] COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1[*:1]
CC(C)(C)C(=O)Nc1nc(CC(=O)N(CC(F)F)C2CC2)cs1 FC(F)C[*:1] CC(C)(C)C(=O)Nc1nc(cs1)CC(=O)N(C1CC1)[*:1]
CC(C)(C)C(=O)Nc1nc(CC(=O)N(CC(F)F)C2CC2)cs1 CC(C)(C)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])N(CC(F)F)C1CC1
CC(C)(C)C(=O)Nc1nc(CC(=O)N(CC(F)F)C2CC2)cs1 FC(F)[*:1] CC(C)(C)C(=O)Nc1nc(cs1)CC(=O)N(C[*:1])C1CC1
CC(C)(C)C(=O)Nc1nc(CC(=O)N(CC(F)F)C2CC2)cs1 C1CC1[*:1] CC(C)(C)C(=O)Nc1nc(cs1)CC(=O)N(CC(F)F)[*:1]
CC(C)(C)C(=O)Nc1nc(CC(=O)N(CC(F)F)C2CC2)cs1 CC(C)(C)C(=O)N[*:1] O=C(Cc1csc(n1)[*:1])N(CC(F)F)C1CC1
COc1ccc(NC(=O)CC2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)NC(=O)C[*:1]
O=C([C@H]1CCCN(c2nccs2)C1)N1CCC[C@H](c2ccn[nH]2)C1 c1csc(n1)[*:1] O=C([C@H]1CCCN(C1)[*:1])N1CCC[C@@H](C1)c1ccn[nH]1
O=C([C@H]1CCCN(c2nccs2)C1)N1CCC[C@H](c2ccn[nH]2)C1 c1cc([nH]n1)[*:1] O=C([C@H]1CCCN(C1)c1nccs1)N1CCC[C@H](C1)[*:1]
Cc1cc(C)nc(SCC(=O)NCC2(C)Cc3ccccc3C2)n1 Cc1cc(C)nc(n1)[*:1] CC1(CNC(=O)CS[*:1])Cc2ccccc2C1
C[C@@H]1CN(C(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=S)NC(=O)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@@H](C1CC1)[*:1])c1ccc2OCCOc2c1
C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc2c(c1)OCCO2 C1CC1[*:1] C[C@@H](NC(=O)N[C@@H](c1ccccc1)[*:1])c1ccc2OCCOc2c1
Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)[C@H]1COc2ccccc21 c1ccc(cc1)[*:1] Cn1ccnc1[C@@H](CC[*:1])OC(=O)[C@H]1COc2ccccc21
Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)[C@H]1COc2ccccc21 c1ccc(cc1)CC[*:1] Cn1ccnc1[C@@H](OC(=O)[C@H]1COc2ccccc21)[*:1]
Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)[C@H]1COc2ccccc21 c1ccc2c(c1)OC[C@@H]2[*:1] Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)[*:1]
Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)[C@H]1COc2ccccc21 c1ccc(cc1)C[*:1] Cn1ccnc1[C@@H](C[*:1])OC(=O)[C@H]1COc2ccccc21
Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)[C@H]1COc2ccccc21 Cn1ccnc1[*:1] O=C(O[C@H](CCc1ccccc1)[*:1])[C@H]1COc2ccccc21
CCCC[NH+](CC)Cc1ccc(C(=O)NN)cn1 CCCC[*:1] CC[NH+](Cc1ccc(cn1)C(=O)NN)[*:1]
CCCC[NH+](CC)Cc1ccc(C(=O)NN)cn1 CCC[*:1] CC[NH+](Cc1ccc(cn1)C(=O)NN)C[*:1]
CCCC[NH+](CC)Cc1ccc(C(=O)NN)cn1 NNC(=O)[*:1] CCCC[NH+](CC)Cc1ccc(cn1)[*:1]
O=C(NC[C@@H](O)c1cccs1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](O)c1cccs1)c1ccc(cc1)[*:1]
O=C(NC[C@@H](O)c1cccs1)c1ccc(-c2ccccc2)cc1 c1csc(c1)[*:1] O=C(NC[C@@H](O)[*:1])c1ccc(cc1)-c1ccccc1
Cc1ccc(C)c2nc3c(cc12)CN(CCN1CCOCC1)C(=O)O3 C1CN(CCO1)[*:1] Cc1ccc(C)c2nc3OC(=O)N(CC[*:1])Cc3cc12
Cc1ccc(C)c2nc3c(cc12)CN(CCN1CCOCC1)C(=O)O3 C1CN(CCO1)C[*:1] Cc1ccc(C)c2nc3OC(=O)N(Cc3cc12)C[*:1]
Cc1ccc(C)c2nc3c(cc12)CN(CCN1CCOCC1)C(=O)O3 C1CN(CCO1)CC[*:1] Cc1ccc(C)c2nc3OC(=O)N(Cc3cc12)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1cccc(Cn2ccnc2)c1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)NCc1cccc(c1)Cn1ccnc1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1cccc(c1)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1cccc(c1)[*:1]
O=S(=O)(Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)o1)c1ccccc1 O=S(=O)(c1ccccc1)[*:1] c1cc2OCOc2cc1-c1noc(n1)-c1ccc(C[*:1])o1
O=S(=O)(Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)o1)c1ccccc1 c1cc2OCOc2cc1[*:1] O=S(=O)(Cc1ccc(o1)-c1nc(no1)[*:1])c1ccccc1
O=S(=O)(Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Cc1ccc(o1)-c1nc(no1)-c1ccc2OCOc2c1)[*:1]
CC(C)CCC(=O)N1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 CC(C)CC[*:1] O=C(N1CCN(CC1)C[C@@H](O)c1ccc(F)c(F)c1)[*:1]
CC(C)CCC(=O)N1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] CC(C)CCC(=O)N1CCN(CC1)C[C@@H](O)[*:1]
CC(C)CCC(=O)N1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 CC(C)[*:1] O=C(CC[*:1])N1CCN(CC1)C[C@@H](O)c1ccc(F)c(F)c1
CC(C)CCC(=O)N1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 CC(C)C[*:1] O=C(C[*:1])N1CCN(CC1)C[C@@H](O)c1ccc(F)c(F)c1
O=C(NOCCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] O=C(NOC[*:1])Nc1ccc(cc1)[N+](=O)[O-]
O=C(NOCCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(NOCC[*:1])Nc1ccc(cc1)[N+](=O)[O-]
O=C(NOCCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NOCCc1ccccc1)Nc1ccc(cc1)[*:1]
CCOC(=O)NCCC(=O)Nc1ccc2c(c1)COC2 CCOC(=O)N[*:1] O=C(CC[*:1])Nc1ccc2COCc2c1
Cc1cccc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 Cc1cccc(c1)[*:1] O=c1c2c(csc2ncn1C[*:1])-c1ccc(F)cc1
Cc1cccc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)Cn1cnc2scc(c2c1=O)[*:1]
Cc1cccc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 Cc1cccc(c1)C[*:1] O=c1c2c(csc2ncn1[*:1])-c1ccc(F)cc1
CCCC(=O)Nc1ccc(NCc2cccs2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)NCc1cccs1)[*:1]
CCCC(=O)Nc1ccc(NCc2cccs2)cc1 CCCC(=O)N[*:1] c1csc(c1)CNc1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(NCc2cccs2)cc1 c1csc(c1)[*:1] CCCC(=O)Nc1ccc(cc1)NC[*:1]
CCCC(=O)Nc1ccc(NCc2cccs2)cc1 c1csc(c1)C[*:1] CCCC(=O)Nc1ccc(cc1)N[*:1]
CC(C)C[C@H](C)N(C)C(=O)CN1CC[NH+](Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CC(C)C[C@H](C)N(C)C(=O)CN1CC[NH+](CC1)C[*:1]
CC(C)C[C@H](C)N(C)C(=O)CN1CC[NH+](Cc2ccccn2)CC1 CC(C)C[C@H](C)[*:1] CN(C(=O)CN1CC[NH+](CC1)Cc1ccccn1)[*:1]
CC(C)C[C@H](C)N(C)C(=O)CN1CC[NH+](Cc2ccccn2)CC1 CC(C)C[*:1] C[C@H](N(C)C(=O)CN1CC[NH+](CC1)Cc1ccccn1)[*:1]
CC(C)C[C@H](C)N(C)C(=O)CN1CC[NH+](Cc2ccccn2)CC1 CC(C)[*:1] C[C@@H](C[*:1])N(C)C(=O)CN1CC[NH+](CC1)Cc1ccccn1
CC(C)C[C@H](C)N(C)C(=O)CN1CC[NH+](Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 CC(C)C[C@H](C)N(C)C(=O)CN1CC[NH+](CC1)[*:1]
COc1ccc(C(=O)NCCCC(=O)N2CC[NH+](C(C)C)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)[NH+]1CCN(CC1)C(=O)CCCNC(=O)[*:1]
COc1ccc(C(=O)NCCCC(=O)N2CC[NH+](C(C)C)CC2)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)NCCCC(=O)N1CC[NH+](CC1)[*:1]
Cc1cc2c(=O)[nH]c(CSCC(=O)NCc3ccncc3)nc2s1 c1cc(ccn1)C[*:1] Cc1cc2c(=O)[nH]c(CSCC(=O)N[*:1])nc2s1
Cc1cc2c(=O)[nH]c(CSCC(=O)NCc3ccncc3)nc2s1 c1cc(ccn1)[*:1] Cc1cc2c(=O)[nH]c(CSCC(=O)NC[*:1])nc2s1
CC(C)c1ncc(CN2CCN(C(=O)c3cccc(O)c3)CC2)s1 CC(C)[*:1] O=C(c1cccc(O)c1)N1CCN(CC1)Cc1cnc(s1)[*:1]
CC(C)c1ncc(CN2CCN(C(=O)c3cccc(O)c3)CC2)s1 Oc1cccc(c1)[*:1] CC(C)c1ncc(CN2CCN(CC2)C(=O)[*:1])s1
CC(C)c1ncc(CN2CCN(C(=O)c3cccc(O)c3)CC2)s1 CC(C)c1ncc(s1)[*:1] O=C(c1cccc(O)c1)N1CCN(CC1)C[*:1]
NC(=O)c1c(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)sc2c1CCCC2 NC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])c1cc(nc2ccccc12)-c1ccccn1
NC(=O)c1c(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)sc2c1CCCC2 c1ccc(nc1)[*:1] NC(=O)c1c(NC(=O)c2cc(nc3ccccc23)[*:1])sc2CCCCc21
O=C(Cc1ccc[nH]1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 c1c[nH]c(c1)C[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[*:1]
O=C(Cc1ccc[nH]1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 c1c[nH]c(c1)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NC[C@H]1CCCO1
O=C(Cc1ccc[nH]1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(Cc1ccc[nH]1)Nc1ccccc1C(=O)N[*:1]
O=C(Cc1ccc[nH]1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(Cc1ccc[nH]1)Nc1ccccc1C(=O)NC[*:1]
CCc1noc(C[NH2+][C@H](c2ccccc2)C(C)C)n1 CC(C)[*:1] CCc1noc(C[NH2+][C@H](c2ccccc2)[*:1])n1
CCc1noc(C[NH2+][C@H](c2ccccc2)C(C)C)n1 c1ccc(cc1)[*:1] CCc1noc(C[NH2+][C@H](C(C)C)[*:1])n1
C[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2n[nH]c(=O)n2C2CC2)C1 NC(=O)[*:1] C[NH2+][C@]1(CC[C@H](C1)Sc1n[nH]c(=O)n1C1CC1)[*:1]
C[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2n[nH]c(=O)n2C2CC2)C1 C1CC1[*:1] C[NH2+][C@]1(CC[C@H](C1)Sc1n[nH]c(=O)n1[*:1])C(N)=O
CC1(C)[C@H]2OCC[C@@H]2[C@H]1Nc1nc(C2CC2)no1 C1CC1[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1Nc1nc(no1)[*:1]
CCCc1cc(C(=O)NC(C)(C)C)[nH]n1 CCC[*:1] CC(C)(C)NC(=O)c1cc(n[nH]1)[*:1]
CCCc1cc(C(=O)NC(C)(C)C)[nH]n1 CC(C)(C)[*:1] CCCc1cc([nH]n1)C(=O)N[*:1]
CN(C(=O)Cn1ccnc1S(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)Cn1ccnc1S(C)(=O)=O)[*:1]
CN(C(=O)Cn1ccnc1S(C)(=O)=O)c1ccccc1 CS(=O)(=O)[*:1] CN(C(=O)Cn1ccnc1[*:1])c1ccccc1
CC1(C)C(=O)NCCN1Cc1csc(CNC(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] CC1(C)C(=O)NCCN1Cc1csc(CNC(=O)[*:1])n1
Cc1cccc(OCCNC(=O)C(=O)Nc2c(F)cccc2F)c1 Cc1cccc(c1)[*:1] O=C(NCCO[*:1])C(=O)Nc1c(F)cccc1F
Cc1cccc(OCCNC(=O)C(=O)Nc2c(F)cccc2F)c1 Cc1cccc(c1)O[*:1] O=C(NCC[*:1])C(=O)Nc1c(F)cccc1F
Cc1cccc(OCCNC(=O)C(=O)Nc2c(F)cccc2F)c1 Fc1cccc(F)c1[*:1] Cc1cccc(c1)OCCNC(=O)C(=O)N[*:1]
CC(=O)Oc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 c1ccc2[nH]c(nc2c1)[*:1] CC(=O)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Oc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 CC(=O)O[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)COCC(F)(F)F)[C@@H]1CCCO1 FC(F)(F)C[*:1] C[C@H](NC(=O)CO[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)COCC(F)(F)F)[C@@H]1CCCO1 FC(F)(F)[*:1] C[C@H](NC(=O)COC[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)COCC(F)(F)F)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)COCC(F)(F)F)[*:1]
COc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4[nH]nc(C)c4C)s3)CC2)c1 COc1cccc(c1)[*:1] Cc1n[nH]c(-c2ccc(s2)S(=O)(=O)N2CCN(CC2)[*:1])c1C
COc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4[nH]nc(C)c4C)s3)CC2)c1 Cc1n[nH]c(c1C)[*:1] COc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc(s1)[*:1]
O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1nc(n[nH]1)-c1ccccc1F)[*:1]
O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1nc(n[nH]1)[*:1])c1ccccc1F
CC[C@@H](CNC(=O)Nc1nc(C(C)C)nn1C)c1ccccc1 CC(C)[*:1] CC[C@@H](CNC(=O)Nc1nc(nn1C)[*:1])c1ccccc1
CC[C@@H](CNC(=O)Nc1nc(C(C)C)nn1C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)Nc1nc(nn1C)C(C)C)[*:1]
Clc1ccc([C@@H](c2nnnn2C2CCCC2)[NH+]2CCSCC2)cc1 Clc1ccc(cc1)[*:1] C1CCC(C1)n1nnnc1[C@@H]([NH+]1CCSCC1)[*:1]
Clc1ccc([C@@H](c2nnnn2C2CCCC2)[NH+]2CCSCC2)cc1 C1CCC(C1)[*:1] Clc1ccc(cc1)[C@@H](c1nnnn1[*:1])[NH+]1CCSCC1
CC[C@H]1CCCC[C@H]1NC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 N#Cc1ccc(cc1)[*:1] CC[C@H]1CCCC[C@H]1NC(=O)Nc1ncn(C[*:1])n1
CCOc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1cccc(c1)C(=O)[O-]
CCOc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)NC(=O)Nc1cccc(c1)[*:1]
CCN(C(=O)c1oc2c(c1C)/C(=N/NC(N)=[NH2+])CCC2)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1oc2CCC/C(=N\NC(N)=[NH2+])c2c1C)[*:1]
COC(=O)c1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cc1 COC(=O)[*:1] CN(c1ccccc1)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N(C)[*:1]
COC(=O)c1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cc1 CN(c1ccccc1)[*:1] COC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
Cc1n[nH]cc1CNC(=O)Nc1ccccc1F Cc1n[nH]cc1[*:1] O=C(NC[*:1])Nc1ccccc1F
COc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@H]5[C@@H]6C=C[C@@H](C6)[C@@H]5C4=O)c3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Oc1cccc(c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1nc(-c2cncc(Br)c2)cc(N2CCC(O)CC2)n1 Brc1cncc(c1)[*:1] Cc1nc(cc(n1)[*:1])N1CCC(O)CC1
Cc1nc(-c2cncc(Br)c2)cc(N2CCC(O)CC2)n1 OC1CCN(CC1)[*:1] Cc1nc(cc(n1)[*:1])-c1cncc(Br)c1
CC(C)CCN(C)C(=O)c1cc(N2CCCC2=O)ccc1Cl CC(C)CC[*:1] CN(C(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
CC(C)CCN(C)C(=O)c1cc(N2CCCC2=O)ccc1Cl CC(C)[*:1] CN(CC[*:1])C(=O)c1cc(ccc1Cl)N1CCCC1=O
CC(C)CCN(C)C(=O)c1cc(N2CCCC2=O)ccc1Cl CC(C)C[*:1] CN(C[*:1])C(=O)c1cc(ccc1Cl)N1CCCC1=O
CC(C)CCN(C)C(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CC(C)CCN(C)C(=O)c1cc(ccc1Cl)[*:1]
Cc1ccc(-c2ncc(CN(CCC#N)Cc3ccccn3)s2)cc1 N#CCC[*:1] Cc1ccc(cc1)-c1ncc(CN(Cc2ccccn2)[*:1])s1
Cc1ccc(-c2ncc(CN(CCC#N)Cc3ccccn3)s2)cc1 c1ccc(C[*:1])nc1 Cc1ccc(cc1)-c1ncc(CN(CCC#N)[*:1])s1
Cc1ccc(-c2ncc(CN(CCC#N)Cc3ccccn3)s2)cc1 Cc1ccc(cc1)[*:1] N#CCCN(Cc1ccccn1)Cc1cnc(s1)[*:1]
Cc1ccc(-c2ncc(CN(CCC#N)Cc3ccccn3)s2)cc1 N#CC[*:1] Cc1ccc(cc1)-c1ncc(CN(Cc2ccccn2)C[*:1])s1
Cc1ccc(-c2ncc(CN(CCC#N)Cc3ccccn3)s2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)-c1ncc(CN(CCC#N)C[*:1])s1
Cc1ccc2c(c1)-c1c(cnn1CC(=O)Nc1ccc(F)c(Cl)c1)CO2 Fc1ccc(cc1Cl)[*:1] Cc1ccc2OCc3cnn(CC(=O)N[*:1])c3-c2c1
CCc1cc(C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccc(OC)cc2F)no1 COc1ccc(c(F)c1)[*:1] CCc1cc(no1)C(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
CCc1cc(C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccc(OC)cc2F)no1 CCc1cc(no1)[*:1] COc1ccc(c(F)c1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
O=C(NCCOc1cccc(C(F)(F)F)c1)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(NCCOc1cccc(c1)C(F)(F)F)N[*:1]
O=C(NCCOc1cccc(C(F)(F)F)c1)Nc1ccncc1 FC(F)(F)[*:1] O=C(NCCOc1cccc(c1)[*:1])Nc1ccncc1
CCC[C@H](C#N)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O CCC[C@H](C#N)[*:1] CC(C)[C@H](C(=O)N[*:1])N1CCCS1(=O)=O
CCC[C@H](C#N)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O CCC[*:1] CC(C)[C@H](C(=O)N[C@@H](C#N)[*:1])N1CCCS1(=O)=O
CCC[C@H](C#N)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O CC(C)[*:1] CCC[C@H](C#N)NC(=O)[C@@H](N1CCCS1(=O)=O)[*:1]
CCn1nnnc1NCc1ccc(-c2ccccc2Cl)o1 CCn1nnnc1[*:1] Clc1ccccc1-c1ccc(CN[*:1])o1
CCn1nnnc1NCc1ccc(-c2ccccc2Cl)o1 Clc1ccccc1[*:1] CCn1nnnc1NCc1ccc(o1)[*:1]
O=C(NC[C@H](O)c1ccccc1Cl)c1cccc(F)c1F Clc1ccccc1[*:1] O=C(NC[C@H](O)[*:1])c1cccc(F)c1F
C[C@@H](CO)NC(=O)Nc1ccccc1C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](CO)NC(=O)Nc1ccccc1[*:1]
C[C@@H](CO)NC(=O)Nc1ccccc1C(=O)N(C)C C[C@@H](CO)[*:1] CN(C)C(=O)c1ccccc1NC(=O)N[*:1]
Cc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccncc1 c1cc(ccn1)C[*:1] Cc1nnc(-c2cnn(-c3ccccc3)c2N)n1[*:1]
Cc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccncc1 c1cc(ccn1)[*:1] Cc1nnc(-c2cnn(-c3ccccc3)c2N)n1C[*:1]
Cc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccncc1 c1ccc(cc1)[*:1] Cc1nnc(-c2cnn(c2N)[*:1])n1Cc1ccncc1
COc1ccc(C2=C(C)C(N3CCC(C(=O)Nc4ccc(C)cc4)CC3)=NS2(=O)=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] COc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCC(CC1)[*:1]
COc1ccc(C2=C(C)C(N3CCC(C(=O)Nc4ccc(C)cc4)CC3)=NS2(=O)=O)cc1 COc1ccc(cc1)[*:1] CC1C(=NS(=O)(=O)C=1[*:1])N1CCC(CC1)C(=O)Nc1ccc(C)cc1
COc1ccc(C2=C(C)C(N3CCC(C(=O)Nc4ccc(C)cc4)CC3)=NS2(=O)=O)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCC(CC1)C(=O)N[*:1]
CC[C@H](C)[C@H](NC(=O)C[NH+]1CCCCCC1)C(=O)OC CC[C@H](C)[*:1] COC(=O)[C@@H](NC(=O)C[NH+]1CCCCCC1)[*:1]
CC[C@H](C)[C@H](NC(=O)C[NH+]1CCCCCC1)C(=O)OC COC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)C[NH+]1CCCCCC1)[*:1]
Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 Cc1ccccc1[*:1] C[C@H]1CN(C[C@@H](C)O1)c1nc2ccccc2nc1[N-]S(=O)(=O)[*:1]
COc1ccc(C2=NO[C@](C)(C(=O)[O-])C2)c(OC)c1OC O=C([O-])[*:1] COc1ccc(C2C[C@@](C)(ON=2)[*:1])c(OC)c1OC
Cc1nonc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 Cc1nonc1[*:1] O=C(N1C[C@@H](O)C[C@@H]1c1ccc(cc1)C(F)(F)F)[*:1]
Cc1nonc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1nonc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(cc1)[*:1]
C[C@H]1CCC[C@@H](C[NH2+]C[C@](C)(O)CN2CCOCC2)C1 C1CN(CCO1)[*:1] C[C@H]1CCC[C@@H](C[NH2+]C[C@](C)(O)C[*:1])C1
O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(Nc1nc(cs1)-c1cc2ccccc2oc1=O)[*:1]
CCCc1[nH]n(-c2cc(C)ccc2C)c(=O)c1Br CCC[*:1] Cc1ccc(C)c(c1)-n1[nH]c(c(Br)c1=O)[*:1]
COC(=O)[C@@](C)(Cl)CS(=O)(=O)c1ccccc1[N+](=O)[O-] COC(=O)[*:1] C[C@@](Cl)(CS(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
COC(=O)[C@@](C)(Cl)CS(=O)(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)[C@@](C)(Cl)CS(=O)(=O)c1ccccc1[*:1]
C[NH+](CCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O c1ccc(cc1)[*:1] C[NH+](CCn1cc(ccc1=O)[N+](=O)[O-])CC[*:1]
C[NH+](CCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O c1ccc(cc1)C[*:1] C[NH+](CCn1cc(ccc1=O)[N+](=O)[O-])C[*:1]
C[NH+](CCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O O=[N+]([O-])[*:1] C[NH+](CCc1ccccc1)CCn1cc(ccc1=O)[*:1]
C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2)C1)C(C)(C)C[NH+](C)C c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@H]1CCN(C1)[*:1])C(C)(C)C[NH+](C)C
O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(Br)c1 c1cnc2nc(oc2c1)[*:1] O=C(NC(=S)NCc1ccc(cc1)[*:1])c1cccc(Br)c1
O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(NC(=S)NCc1ccc(cc1)-c1nc2ncccc2o1)[*:1]
CCc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 c1ccc(cc1)C[*:1] CCc1ccc(cc1)NC(=O)N[C@@H]1CCCN(C1=O)[*:1]
CCc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)N[C@@H]1CCCN(C[*:1])C1=O
CCc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 CCc1ccc(cc1)[*:1] O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)N[*:1]
CC(C)C(=O)N1CCC(NC(=O)C2(c3cccc(Cl)c3)CC2)CC1 Clc1cccc(c1)[*:1] CC(C)C(=O)N1CCC(CC1)NC(=O)C1(CC1)[*:1]
CC(C)C(=O)N1CCC(NC(=O)C2(c3cccc(Cl)c3)CC2)CC1 CC(C)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])C1(CC1)c1cccc(Cl)c1
CCc1ocnc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CCc1ocnc1[*:1] Cn1c(nc2cc(ccc21)NC(=O)[*:1])C1CC1
CCc1ocnc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] CCc1ocnc1C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
O=C(Cc1cc(F)ccc1F)NCCNc1nccc(C(F)(F)F)n1 Fc1ccc(F)c(c1)[*:1] O=C(C[*:1])NCCNc1nccc(n1)C(F)(F)F
O=C(Cc1cc(F)ccc1F)NCCNc1nccc(C(F)(F)F)n1 FC(F)(F)[*:1] O=C(Cc1cc(F)ccc1F)NCCNc1nccc(n1)[*:1]
O=C(Cc1ccccc1)Nc1cnn(CCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(Cc1ccccc1)Nc1cnn(c1)C[*:1]
O=C(Cc1ccccc1)Nc1cnn(CCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(Nc1cnn(c1)CCc1ccccc1)[*:1]
O=C(Cc1ccccc1)Nc1cnn(CCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1cnn(c1)CCc1ccccc1
O=C(Cc1ccccc1)Nc1cnn(CCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1)Nc1cnn(c1)CC[*:1]
CC[C@H](CO)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)[nH+]c1 CC[C@H](CO)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
C[C@@]1(c2ccccc2)NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O)[*:1]
CN(Cc1cn2ccccc2c1C#N)C[C@H](O)CN1CCOCC1 C1CN(CCO1)[*:1] CN(Cc1cn2ccccc2c1C#N)C[C@H](O)C[*:1]
CN(Cc1cn2ccccc2c1C#N)C[C@H](O)CN1CCOCC1 C1CN(CCO1)C[*:1] CN(Cc1cn2ccccc2c1C#N)C[C@H](O)[*:1]
O=C1/C(=C/c2cnc(-c3ccccc3)nc2)CCc2cc(O)ccc21 c1ccc(cc1)[*:1] O=C1/C(=C/c2cnc(nc2)[*:1])CCc2cc(O)ccc21
C=CCN(CC(=O)[O-])C(=O)NC O=C([O-])C[*:1] C=CCN(C(=O)NC)[*:1]
C=CCN(CC(=O)[O-])C(=O)NC O=C([O-])[*:1] C=CCN(C[*:1])C(=O)NC
C=CCN(CC(=O)[O-])C(=O)NC C=CC[*:1] CNC(=O)N(CC(=O)[O-])[*:1]
CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cscc1C CC(C)(C)[*:1] CC[C@H]1C[NH2+][C@@H](CN1Cc1cscc1C)[*:1]
CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cscc1C Cc1cscc1[*:1] CC[C@H]1C[NH2+][C@H](CN1C[*:1])C(C)(C)C
CC(C)(C)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(C)NNC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)(C)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 CC(C)(C)[*:1] O=C(NN[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1F)CC2)c1ccccn1 Fc1ccccc1[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1])c1ccccn1
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1F)CC2)c1ccccn1 O=C(N[*:1])c1ccccn1 O=S(=O)(c1ccccc1F)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1F)CC2)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)c1ccccc1F)[*:1]
CCc1n[nH]c(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c1Br O=[N+]([O-])[*:1] CCc1n[nH]c(NC(=O)[C@@H]2C[C@H]2[*:1])c1Br
O[C@H]1[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)[C@H]2CO[C@H](O2)[C@@H]1Oc1ccccc1 c1ccc(cc1)[*:1] O[C@H]1[C@H]([NH2+]Cc2ccc(cc2)[*:1])[C@H]2CO[C@H](O2)[C@@H]1Oc1ccccc1
O[C@H]1[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)[C@H]2CO[C@H](O2)[C@@H]1Oc1ccccc1 c1ccc(cc1)[*:1] O[C@H]1[C@H]([NH2+]Cc2ccc(cc2)-c2ccccc2)[C@H]2CO[C@H](O2)[C@@H]1O[*:1]
O[C@H]1[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)[C@H]2CO[C@H](O2)[C@@H]1Oc1ccccc1 c1ccc(cc1)O[*:1] O[C@H]1[C@H]([NH2+]Cc2ccc(cc2)-c2ccccc2)[C@H]2CO[C@H](O2)[C@H]1[*:1]
CCc1nc(CN2CCN(CC(=O)Nc3cccnc3Cl)CC2)no1 Clc1ncccc1[*:1] CCc1nc(CN2CCN(CC2)CC(=O)N[*:1])no1
CCc1nc(CN2CCN(CC(=O)Nc3cccnc3Cl)CC2)no1 CCc1nc(C[*:1])no1 O=C(CN1CCN(CC1)[*:1])Nc1cccnc1Cl
CCc1nc(CN2CCN(CC(=O)Nc3cccnc3Cl)CC2)no1 CCc1nc(no1)[*:1] O=C(CN1CCN(CC1)C[*:1])Nc1cccnc1Cl
O=C(NNC(=O)c1ccccc1)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 c1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
C=CCC[C@H](NC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1 C=CC[*:1] C[C@H]1OCC[C@@H]1C(=O)N[C@@H](C[*:1])c1ccccc1
C=CCC[C@H](NC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1 c1ccc(cc1)[*:1] C=CCC[C@H](NC(=O)[C@H]1CCO[C@@H]1C)[*:1]
C=CCC[C@H](NC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1 C=CCC[*:1] C[C@H]1OCC[C@@H]1C(=O)N[C@H](c1ccccc1)[*:1]
CC[C@@H](C)N(CC)[C@@H](C[NH3+])c1c(F)cccc1F CC[C@@H](C)[*:1] CCN([C@@H](C[NH3+])c1c(F)cccc1F)[*:1]
CCc1cccc(NC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c1 FC(F)(F)[*:1] CCc1cccc(c1)NC(=O)NCC[C@](O)(c1nccn1C)[*:1]
CCc1cccc(NC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c1 Cn1ccnc1[*:1] CCc1cccc(c1)NC(=O)NCC[C@](O)(C(F)(F)F)[*:1]
CCc1cccc(NC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c1 CCc1cccc(c1)[*:1] Cn1ccnc1[C@@](O)(CCNC(=O)N[*:1])C(F)(F)F
COc1ccccc1NC(=O)c1cnc([C@H]2CCN(C(=O)c3cc[nH]n3)C2)nc1C COc1ccccc1[*:1] Cc1nc(ncc1C(=O)N[*:1])[C@H]1CCN(C1)C(=O)c1cc[nH]n1
Cc1ccc(-c2noc(CSc3nc(C4CC4)n(-c4ccccc4)n3)n2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1noc(CSc2nc(n(n2)-c2ccccc2)[*:1])n1
Cc1ccc(-c2noc(CSc3nc(C4CC4)n(-c4ccccc4)n3)n2)cc1 Cc1ccc(cc1)[*:1] c1ccc(cc1)-n1nc(nc1C1CC1)SCc1nc(no1)[*:1]
Cc1ccc(-c2noc(CSc3nc(C4CC4)n(-c4ccccc4)n3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(CSc2nc(C3CC3)n(n2)[*:1])n1
COc1ccc(NC(C)=O)cc1N[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 CC(=O)N[*:1] COc1ccc(cc1N[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1)[*:1]
C[C@H](NC(=O)c1cc[nH+]cc1[O-])c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)c1cc[nH+]cc1[O-])[*:1]
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4cn(C)nc4C)[C@@H]3SC2)s1 Cc1nnc(SC[*:1])s1 Cc1nn(C)cc1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CS[C@@H]12)[*:1]
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4cn(C)nc4C)[C@@H]3SC2)s1 Cc1nnc(S[*:1])s1 Cc1nn(C)cc1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CS[C@@H]12)C[*:1]
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4cn(C)nc4C)[C@@H]3SC2)s1 Cc1nn(C)cc1C(=O)N[*:1] Cc1nnc(SCC2CS[C@H]3[C@@H](C(=O)N3C=2C(=O)[O-])[*:1])s1
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4cn(C)nc4C)[C@@H]3SC2)s1 Cc1nn(C)cc1[*:1] Cc1nnc(SCC2CS[C@H]3[C@@H](NC(=O)[*:1])C(=O)N3C=2C(=O)[O-])s1
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4cn(C)nc4C)[C@@H]3SC2)s1 Cc1nnc(s1)[*:1] Cc1nn(C)cc1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CS[C@@H]12)CS[*:1]
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4cn(C)nc4C)[C@@H]3SC2)s1 O=C([O-])[*:1] Cc1nnc(SCC2CS[C@H]3[C@@H](NC(=O)c4cn(C)nc4C)C(=O)N3C=2[*:1])s1
CCN(C(=O)CN(CCO)c1ccccc1)C1CC1 OCC[*:1] CCN(C(=O)CN(c1ccccc1)[*:1])C1CC1
CCN(C(=O)CN(CCO)c1ccccc1)C1CC1 C1CC1[*:1] CCN(C(=O)CN(CCO)c1ccccc1)[*:1]
CCN(C(=O)CN(CCO)c1ccccc1)C1CC1 c1ccc(cc1)[*:1] CCN(C(=O)CN(CCO)[*:1])C1CC1
CCC[C@@H](C)NC(=O)[C@H](C)N1CCN(C(=O)c2cccc(F)c2)CC1 CCC[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])N1CCN(CC1)C(=O)c1cccc(F)c1
CCC[C@@H](C)NC(=O)[C@H](C)N1CCN(C(=O)c2cccc(F)c2)CC1 CCC[C@@H](C)NC(=O)[*:1] C[C@H](N1CCN(CC1)C(=O)c1cccc(F)c1)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)N1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CCC[C@@H](C)NC(=O)[C@H](C)N1CCN(CC1)C(=O)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)N1CCN(C(=O)c2cccc(F)c2)CC1 CCC[C@@H](C)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1cccc(F)c1
O=C([O-])CNS(=O)(=O)c1ccc(F)c(F)c1 O=C([O-])C[*:1] O=S(=O)(N[*:1])c1ccc(F)c(F)c1
O=C([O-])CNS(=O)(=O)c1ccc(F)c(F)c1 O=C([O-])[*:1] O=S(=O)(NC[*:1])c1ccc(F)c(F)c1
CC(C)(C)[NH2+]C[C@H]1C[C@@]12CCCCC2(C)C CC(C)(C)[*:1] CC1(C)CCCC[C@@]12C[C@@H]2C[NH2+][*:1]
O=C(Nc1nnc(C2CC2)s1)c1ccccc1[N+](=O)[O-] C1CC1[*:1] O=C(Nc1nnc(s1)[*:1])c1ccccc1[N+](=O)[O-]
O=C(Nc1nnc(C2CC2)s1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1nnc(s1)C1CC1)c1ccccc1[*:1]
CCC[C@H](C(=O)OCC)c1nc(-c2ncccn2)no1 c1cnc(nc1)[*:1] CCC[C@H](C(=O)OCC)c1nc(no1)[*:1]
CCC[C@H](C(=O)OCC)c1nc(-c2ncccn2)no1 CCC[*:1] CCOC(=O)[C@H](c1nc(no1)-c1ncccn1)[*:1]
CCC[C@H](C(=O)OCC)c1nc(-c2ncccn2)no1 CCOC(=O)[*:1] CCC[C@H](c1nc(no1)-c1ncccn1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)O[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 CN(C)S(=O)(=O)[*:1] O=C(Oc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
COc1cc(CN(C(=O)N[C@@H]2CCC[C@@H]2SC)C2CC2)ccc1O C1CC1[*:1] COc1cc(ccc1O)CN(C(=O)N[C@@H]1CCC[C@@H]1SC)[*:1]
CCOc1ccccc1[C@H](C)N[C@H](C)[C@@H]1CN(C)CCO1 CCO[*:1] C[C@H](N[C@H](C)[C@@H]1CN(C)CCO1)c1ccccc1[*:1]
CCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]13)O2 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@@H]13)O2
CCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]13)O2 CCOC(=O)[*:1] O=C1[C@H]2[C@@H]([C@@H]3C=C[C@@]2(CN1Cc1ccccc1)O3)[*:1]
CCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]13)O2 c1ccc(cc1)C[*:1] CCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
O=C(CCC(=O)c1ccccc1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 c1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])NCC1(CCCC1)c1ccc2OCCOc2c1
O=C(CCC(=O)c1ccccc1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 O=C(c1ccccc1)[*:1] O=C(CC[*:1])NCC1(CCCC1)c1ccc2OCCOc2c1
O=C(CCC(=O)c1ccccc1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 O=C(C[*:1])c1ccccc1 O=C(C[*:1])NCC1(CCCC1)c1ccc2OCCOc2c1
CCC[C@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C CC(C)(C)[*:1] CCC[C@H](C(=O)[O-])N(C)C(=O)O[*:1]
CCC[C@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C O=C([O-])[*:1] CCC[C@H](N(C)C(=O)OC(C)(C)C)[*:1]
CCC[C@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C CCC[*:1] CN(C(=O)OC(C)(C)C)[C@@H](C(=O)[O-])[*:1]
Cc1ccc(C)c2sc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(F)cc3)nc12 Fc1ccc(cc1)[*:1] Cc1ccc(C)c2sc(nc12)N(CC[NH+]1CCOCC1)C(=O)[*:1]
COCCN(C(=O)c1cccc2c1OCCO2)c1ccncc1 c1cc(ccn1)[*:1] COCCN(C(=O)c1cccc2OCCOc21)[*:1]
COCCN(C(=O)c1cccc2c1OCCO2)c1ccncc1 COC[*:1] O=C(c1cccc2OCCOc21)N(C[*:1])c1ccncc1
COCCN(C(=O)c1cccc2c1OCCO2)c1ccncc1 COCC[*:1] O=C(c1cccc2OCCOc21)N(c1ccncc1)[*:1]
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1OC O=C([O-])C[*:1] C=CCN(S(=O)(=O)c1ccccc1OC)[*:1]
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1OC O=C([O-])[*:1] C=CCN(C[*:1])S(=O)(=O)c1ccccc1OC
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1OC C=CC[*:1] COc1ccccc1S(=O)(=O)N(CC(=O)[O-])[*:1]
CCCNc1ccc(C#N)cc1NC(=O)c1cccc(OC)c1F CCC[*:1] COc1cccc(C(=O)Nc2cc(C#N)ccc2N[*:1])c1F
CCCNc1ccc(C#N)cc1NC(=O)c1cccc(OC)c1F CCCN[*:1] COc1cccc(C(=O)Nc2cc(C#N)ccc2[*:1])c1F
COc1ccc(CNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3ccccn3)C4=O)C2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)CNC(=O)[C@@H]1CCCN(C1)c1cccc2C(=O)N(C[*:1])C(=O)c21
COc1ccc(CNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3ccccn3)C4=O)C2)cc1 c1ccc(C[*:1])nc1 COc1ccc(cc1)CNC(=O)[C@@H]1CCCN(C1)c1cccc2C(=O)N(C(=O)c21)[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3ccccn3)C4=O)C2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1cccc2C(=O)N(Cc3ccccn3)C(=O)c21
COc1ccc(CNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3ccccn3)C4=O)C2)cc1 COc1ccc(cc1)CNC(=O)[*:1] O=C1c2cccc(c2C(=O)N1Cc1ccccn1)N1CCC[C@H](C1)[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3ccccn3)C4=O)C2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1cccc2C(=O)N(Cc3ccccn3)C(=O)c21
CCC(CC)N(C)C(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCC(CC)N(C)C(=O)CN1C(=O)N[C@](CC)(C1=O)[*:1]
CCC(CC)N(C)C(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O CCC(CC)[*:1] CC[C@@]1(NC(=O)N(CC(=O)N(C)[*:1])C1=O)c1ccccc1
C=CCN(Cc1cccc(C#N)c1)C(=O)/C(C)=C\C CC=C(C)[*:1] C=CCN(Cc1cccc(C#N)c1)C(=O)[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)/C(C)=C\C C=CC[*:1] C/C=C(/C)C(=O)N(Cc1cccc(C#N)c1)[*:1]
Cc1nnsc1C(=O)N[C@@H]1CCOC2(CCOCC2)C1 Cc1nnsc1[*:1] O=C(N[C@@H]1CCOC2(CCOCC2)C1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2cc(C)cc(C)c2)cc1 CC(=O)N[*:1] Cc1cc(C)cc(c1)N[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@@H](C)N[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)c1ccnc(OC2CCCCC2)c1 c1cc(ccn1)[*:1] CC[C@H](N(C)C(=O)c1ccnc(c1)OC1CCCCC1)[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] CC[C@H](c1ccncc1)N(C)C(=O)c1ccnc(c1)O[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] CC[C@H](c1ccncc1)N(C)C(=O)c1ccnc(c1)[*:1]
CC(C)N(C(=O)Cc1ccc(F)cc1F)c1cccc(C#N)c1 CC(C)[*:1] N#Cc1cccc(c1)N(C(=O)Cc1ccc(F)cc1F)[*:1]
Cc1ccc(CCC(=O)Nc2ccc(Br)nc2C)o1 Cc1ccc(o1)[*:1] Cc1nc(Br)ccc1NC(=O)CC[*:1]
O=C1CC[C@H](C(=O)N2CCN(C[C@H](O)c3cccs3)CC2)N1 O[C@H](c1cccs1)[*:1] O=C1CC[C@@H](N1)C(=O)N1CCN(CC1)C[*:1]
O=C1CC[C@H](C(=O)N2CCN(C[C@H](O)c3cccs3)CC2)N1 c1csc(c1)[*:1] O=C1CC[C@@H](N1)C(=O)N1CCN(CC1)C[C@H](O)[*:1]
O=C1CC[C@H](C(=O)N2CCN(C[C@H](O)c3cccs3)CC2)N1 O=C1CC[C@H](N1)[*:1] O=C(N1CCN(CC1)C[C@H](O)c1cccs1)[*:1]
CC(=O)Nc1cc(C)c(N)cn1 CC(=O)N[*:1] Cc1cc(ncc1N)[*:1]
COC(=O)CCCOc1c(C)cc(C)cc1C COC(=O)C[*:1] Cc1cc(C)c(OCC[*:1])c(C)c1
COC(=O)CCCOc1c(C)cc(C)cc1C COC(=O)[*:1] Cc1cc(C)c(OCCC[*:1])c(C)c1
Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3ccc(F)cc3)c2C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)c1nnn(CC(=O)N[*:1])c1C
Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3ccc(F)cc3)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1c(nnn1CC(=O)Nc1ccc(F)cc1)C(=O)N[*:1]
CCOC(=O)c1cccc(N2CCN(c3nc(C)ns3)CC2)n1 CCOC(=O)[*:1] Cc1nsc(n1)N1CCN(CC1)c1cccc(n1)[*:1]
CCOC(=O)c1cccc(N2CCN(c3nc(C)ns3)CC2)n1 Cc1nsc(n1)[*:1] CCOC(=O)c1cccc(n1)N1CCN(CC1)[*:1]
C[C@@]1(CN2C(=O)c3ccc(C(=O)[O-])cc3C2=O)CCCO1 O=C([O-])[*:1] C[C@]1(CCCO1)CN1C(=O)c2ccc(cc2C1=O)[*:1]
COCc1cc(NC(=O)NC[C@H](OC)c2ccccc2Cl)ncn1 COC[*:1] CO[C@@H](CNC(=O)Nc1cc(ncn1)[*:1])c1ccccc1Cl
COCc1cc(NC(=O)NC[C@H](OC)c2ccccc2Cl)ncn1 Clc1ccccc1[*:1] COCc1cc(ncn1)NC(=O)NC[C@H](OC)[*:1]
Cc1cnc(NC(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)s1 c1cncc(c1)[*:1] Cc1cnc(NC(=O)Cc2c(C)nc([nH]c2=O)[*:1])s1
Cc1cnc(NC(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)s1 Cc1cnc(s1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[*:1])-c1cccnc1
Cc1cc(Br)ccc1NC(=O)CNC(=O)c1c2c(nc3ccccc13)CCC2 Cc1cc(Br)ccc1[*:1] O=C(CNC(=O)c1c2CCCc2nc2ccccc12)N[*:1]
COc1ccccc1O[C@H](C)C(=O)N(Cc1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1O[C@H](C)C(=O)N(Cc1ccccc1)[*:1]
COc1ccccc1O[C@H](C)C(=O)N(Cc1ccccc1)c1ccccn1 COc1ccccc1O[*:1] C[C@H](C(=O)N(Cc1ccccc1)c1ccccn1)[*:1]
COc1ccccc1O[C@H](C)C(=O)N(Cc1ccccc1)c1ccccn1 COc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)N(Cc1ccccc1)c1ccccn1
COc1ccccc1O[C@H](C)C(=O)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)C[*:1] COc1ccccc1O[C@H](C)C(=O)N(c1ccccn1)[*:1]
COc1ccccc1O[C@H](C)C(=O)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] COc1ccccc1O[C@H](C)C(=O)N(C[*:1])c1ccccn1
O=C(Cc1ccc(NC(=O)c2nc[nH]c2-c2cccnc2)cc1)NCc1ccco1 c1coc(c1)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1nc[nH]c1-c1cccnc1)NC[*:1]
O=C(Cc1ccc(NC(=O)c2nc[nH]c2-c2cccnc2)cc1)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1nc[nH]c1-c1cccnc1
O=C(Cc1ccc(NC(=O)c2nc[nH]c2-c2cccnc2)cc1)NCc1ccco1 c1cncc(c1)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1nc[nH]c1[*:1])NCc1ccco1
O=C(Cc1ccc(NC(=O)c2nc[nH]c2-c2cccnc2)cc1)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cc1ccc(cc1)NC(=O)c1nc[nH]c1-c1cccnc1)N[*:1]
O=C(Cc1ccc(NC(=O)c2nc[nH]c2-c2cccnc2)cc1)NCc1ccco1 O=C(C[*:1])NCc1ccco1 O=C(Nc1ccc(cc1)[*:1])c1nc[nH]c1-c1cccnc1
COC(=O)CN(CC(=O)OC)[C@@H]1CCOC2(CCCC2)C1 COC(=O)C[*:1] COC(=O)CN([C@@H]1CCOC2(CCCC2)C1)[*:1]
COC(=O)CN(CC(=O)OC)[C@@H]1CCOC2(CCCC2)C1 COC(=O)[*:1] COC(=O)CN(C[*:1])[C@@H]1CCOC2(CCCC2)C1
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 CC[C@@H](C)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)O[*:1])c1cccc(C#N)c1
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 N#Cc1cccc(c1)[*:1] CC[C@@H](C)Oc1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 CC[C@@H](C)O[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1cccc(C#N)c1
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)Cc1ccon1 c1cc(C[*:1])no1 Cc1cc(ccc1NC(=O)[*:1])-c1cccc(Cl)c1
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)Cc1ccon1 Clc1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)Cc1ccon1)[*:1]
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)Cc1ccon1 c1cc(no1)[*:1] Cc1cc(ccc1NC(=O)C[*:1])-c1cccc(Cl)c1
COc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)nn2[C@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1Cl)[*:1] COc1ccc(cc1)-c1cc(nn1[C@H]1CCS(=O)(=O)C1)C(=O)N[*:1]
COc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)nn2[C@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)c1cc(n(n1)[C@H]1CCS(=O)(=O)C1)[*:1]
COc1cccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c1F c1ccc(cc1)[*:1] COc1cccc(C(=O)N[C@@](C)(C#N)CC[*:1])c1F
COc1cccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c1F c1ccc(cc1)C[*:1] COc1cccc(C(=O)N[C@@](C)(C#N)C[*:1])c1F
COc1cccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c1F c1ccc(cc1)CC[*:1] COc1cccc(C(=O)N[C@@](C)(C#N)[*:1])c1F
CCn1cc(C(=O)OC2CC[NH+](Cc3ccsc3)CC2)cn1 CCn1cc(cn1)[*:1] O=C(OC1CC[NH+](CC1)Cc1ccsc1)[*:1]
CCn1cc(C(=O)OC2CC[NH+](Cc3ccsc3)CC2)cn1 c1cc(cs1)C[*:1] CCn1cc(cn1)C(=O)OC1CC[NH+](CC1)[*:1]
CCn1cc(C(=O)OC2CC[NH+](Cc3ccsc3)CC2)cn1 c1cc(cs1)[*:1] CCn1cc(cn1)C(=O)OC1CC[NH+](CC1)C[*:1]
O=C(NCCOc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1Cl Brc1cccc(c1)[*:1] O=C(NCCO[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
O=C(NCCOc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(NCCOc1cccc(Br)c1)c1cc(ccc1Cl)[*:1]
O=C1CC[C@@H](C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)N1 c1ccc(cc1)[*:1] O=C1CC[C@H](N1)C(=O)N1CCCN(C[*:1])c2ccccc21
O=C1CC[C@@H](C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)N1 c1ccc(cc1)C[*:1] O=C1CC[C@H](N1)C(=O)N1CCCN(c2ccccc21)[*:1]
COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)CNC(=O)[C@]1(C)Cn2nc(cc2C(=O)N1[*:1])-c1cccs1
COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cccc(F)c2)cc1 COc1ccc(cc1)[*:1] C[C@]1(Cn2nc(cc2C(=O)N1c1cccc(F)c1)-c1cccs1)C(=O)NC[*:1]
COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cccc(F)c2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CNC(=O)[C@]1(C)Cn2nc(cc2C(=O)N1c1cccc(F)c1)[*:1]
COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2cccc(F)c2)cc1 COc1ccc(cc1)C[*:1] C[C@]1(Cn2nc(cc2C(=O)N1c1cccc(F)c1)-c1cccs1)C(=O)N[*:1]
CC(C)[C@H](C[NH3+])Nc1ncc(Cl)cc1F CC(C)[*:1] [NH3+]C[C@H](Nc1ncc(Cl)cc1F)[*:1]
CC(=O)N1CCN([C@@H]2[C@@H](O)[C@H]([NH2+]Cc3ccco3)[C@H]3CO[C@@H]2O3)CC1 c1coc(c1)C[*:1] CC(=O)N1CCN(CC1)[C@@H]1[C@@H](O)[C@H]([NH2+][*:1])[C@H]2CO[C@@H]1O2
CC(=O)N1CCN([C@@H]2[C@@H](O)[C@H]([NH2+]Cc3ccco3)[C@H]3CO[C@@H]2O3)CC1 c1coc(c1)[*:1] CC(=O)N1CCN(CC1)[C@@H]1[C@@H](O)[C@H]([NH2+]C[*:1])[C@H]2CO[C@@H]1O2
COc1cccc(-c2ccc(-c3noc(C)n3)c(OC)n2)c1 Cc1nc(no1)[*:1] COc1cccc(c1)-c1ccc(c(n1)OC)[*:1]
CC[C@@H](C(=O)N1CCN(Cc2noc(C)n2)CC1)n1cccn1 Cc1nc(no1)[*:1] CC[C@@H](C(=O)N1CCN(CC1)C[*:1])n1cccn1
CC[C@@H](C(=O)N1CCN(Cc2noc(C)n2)CC1)n1cccn1 Cc1nc(C[*:1])no1 CC[C@@H](C(=O)N1CCN(CC1)[*:1])n1cccn1
CC[C@@H](C(=O)N1CCN(Cc2noc(C)n2)CC1)n1cccn1 c1cnn(c1)[*:1] CC[C@@H](C(=O)N1CCN(CC1)Cc1noc(C)n1)[*:1]
C=CCN(Cc1nnc(CC)n1C)S(=O)(=O)C(C)(C)C CC(C)(C)[*:1] C=CCN(Cc1nnc(CC)n1C)S(=O)(=O)[*:1]
C=CCN(Cc1nnc(CC)n1C)S(=O)(=O)C(C)(C)C C=CC[*:1] CCc1nnc(CN(S(=O)(=O)C(C)(C)C)[*:1])n1C
O=C([C@@H](c1ccccc1)N1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1)N1CCCC1 c1ccc(cc1)[*:1] O=C([C@@H](N1CC[NH+](CC1)[C@@H]1CCS(=O)(=O)C1)[*:1])N1CCCC1
O=C([C@@H](c1ccccc1)N1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S1(=O)CC[C@H](C1)[NH+]1CCN(CC1)[C@H](c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)OCc1cc(=O)oc2cc3CCCc3cc12)S(=O)(=O)[*:1]
CC[C@@]1(C)C[C@@]2(CCO1)C[NH+]=C(N)N2c1ccccc1Cl Clc1ccccc1[*:1] CC[C@@]1(C)C[C@@]2(CCO1)C[NH+]=C(N)N2[*:1]
CCc1cc(C(=O)N(C)Cc2cccc3ncccc23)cs1 CCc1cc(cs1)[*:1] CN(Cc1cccc2ncccc12)C(=O)[*:1]
C=CCC[C@H]([NH2+]C)C1([NH+]2CCCC2)CCCC1 C=CCC[*:1] C[NH2+][C@H](C1(CCCC1)[NH+]1CCCC1)[*:1]
C=CCC[C@H]([NH2+]C)C1([NH+]2CCCC2)CCCC1 C=CC[*:1] C[NH2+][C@@H](C[*:1])C1(CCCC1)[NH+]1CCCC1
C[NH+](C)CC[C@@H]1CN(C(=O)c2ccc(Cl)s2)CCO1 Clc1ccc(s1)[*:1] C[NH+](C)CC[C@@H]1CN(CCO1)C(=O)[*:1]
CS(=O)(=O)CCN1CCN(c2ccc(O)cc2)CC1 CS(=O)(=O)C[*:1] Oc1ccc(cc1)N1CCN(CC1)C[*:1]
CS(=O)(=O)CCN1CCN(c2ccc(O)cc2)CC1 CS(=O)(=O)CC[*:1] Oc1ccc(cc1)N1CCN(CC1)[*:1]
CS(=O)(=O)CCN1CCN(c2ccc(O)cc2)CC1 CS(=O)(=O)[*:1] Oc1ccc(cc1)N1CCN(CC1)CC[*:1]
CCOC(=O)C[C@]1([NH3+])CCO[C@H](C(C)C)C1 CCOC(=O)[*:1] CC(C)[C@@H]1C[C@@]([NH3+])(CCO1)C[*:1]
CCOC(=O)C[C@]1([NH3+])CCO[C@H](C(C)C)C1 CC(C)[*:1] CCOC(=O)C[C@]1([NH3+])CCO[C@H](C1)[*:1]
CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)OCC(=O)NC(=S)N[*:1]
CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(Br)cc2)cc1 CC(C)(C)[*:1] O=C(COc1ccc(cc1)[*:1])NC(=S)Nc1ccc(Br)cc1
Cc1cc2cc(/C(N)=N/O)c(=O)[nH]c2cc1C N/C(=N\O)[*:1] Cc1cc2cc(c(=O)[nH]c2cc1C)[*:1]
Cc1cc(C)n2ncc(-c3noc(-c4ccc(-n5cccc5)nc4)n3)c2n1 c1ccn(c1)[*:1] Cc1cc(C)n2ncc(-c3noc(n3)-c3ccc(nc3)[*:1])c2n1
CC(C)C[C@H](CO)Nc1ccc(Cl)c(C#N)n1 CC(C)[*:1] N#Cc1nc(ccc1Cl)N[C@@H](CO)C[*:1]
CC(C)C[C@H](CO)Nc1ccc(Cl)c(C#N)n1 CC(C)C[*:1] N#Cc1nc(ccc1Cl)N[C@@H](CO)[*:1]
COC(=O)N(C)[C@@H](c1ccccc1)[C@H](C)C(=O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)N(C)[C@@H]([C@H](C)C(=O)c1ccccc1)[*:1]
COC(=O)N(C)[C@@H](c1ccccc1)[C@H](C)C(=O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)N(C)[C@@H](c1ccccc1)[C@H](C)C(=O)[*:1]
COC(=O)N(C)[C@@H](c1ccccc1)[C@H](C)C(=O)c1ccccc1 COC(=O)N(C)[*:1] C[C@H](C(=O)c1ccccc1)[C@H](c1ccccc1)[*:1]
Cc1ccc(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)s1 Cc1ccc(s1)[*:1] O=C(N[*:1])N1CCC[C@@H](C1)C(=O)N1CCOCC1
CN(C)[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1cccs1 CS(=O)(=O)[*:1] CN(C)[C@H](CNC(=O)c1cccc(c1)[*:1])c1cccs1
CN(C)[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1cccs1 CN(C)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)NC[C@H](c1cccs1)[*:1]
CN(C)[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1cccs1 c1csc(c1)[*:1] CN(C)[C@H](CNC(=O)c1cccc(c1)S(C)(=O)=O)[*:1]
C=CCc1ccccc1OCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)o1 C=CC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(COc2ccccc2[*:1])o1
CCOc1ccc(CSc2nccn2C)nc1 CCO[*:1] Cn1ccnc1SCc1ccc(cn1)[*:1]
CCCCN(C)C(=O)C1CC[NH+](Cc2cn(C)nc2C)CC1 Cc1nn(C)cc1[*:1] CCCCN(C)C(=O)C1CC[NH+](CC1)C[*:1]
CCCCN(C)C(=O)C1CC[NH+](Cc2cn(C)nc2C)CC1 CCC[*:1] Cc1nn(C)cc1C[NH+]1CCC(CC1)C(=O)N(C)C[*:1]
CCCCN(C)C(=O)C1CC[NH+](Cc2cn(C)nc2C)CC1 CCCC[*:1] Cc1nn(C)cc1C[NH+]1CCC(CC1)C(=O)N(C)[*:1]
c1cncc(O[C@@H]2CCN(Cc3cnc(-c4cccs4)s3)C2)c1 c1csc(c1)[*:1] c1cncc(c1)O[C@@H]1CCN(Cc2cnc(s2)[*:1])C1
c1cncc(O[C@@H]2CCN(Cc3cnc(-c4cccs4)s3)C2)c1 c1cncc(c1)O[*:1] c1csc(c1)-c1ncc(CN2CC[C@H](C2)[*:1])s1
c1cncc(O[C@@H]2CCN(Cc3cnc(-c4cccs4)s3)C2)c1 c1cncc(c1)[*:1] c1csc(c1)-c1ncc(CN2CC[C@H](C2)O[*:1])s1
Cc1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1Cl Cc1cccc(c1Cl)[*:1] O=C(N[*:1])c1ccc([nH]c1=O)-c1ccccc1
Cc1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1Cl c1ccc(cc1)[*:1] Cc1cccc(NC(=O)c2ccc([nH]c2=O)[*:1])c1Cl
CC[C@H](C(=O)N1CCN(c2nccn2-c2cccc(OC)c2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCN(CC1)c1nccn1-c1cccc(c1)OC)[*:1]
CC[C@H](C(=O)N1CCN(c2nccn2-c2cccc(OC)c2)CC1)c1ccccc1 COc1cccc(c1)[*:1] CC[C@H](C(=O)N1CCN(CC1)c1nccn1[*:1])c1ccccc1
COC[C@@H](NC(=O)c1csc(Cc2ccccc2)n1)C(N)=O c1ccc(cc1)[*:1] COC[C@@H](NC(=O)c1csc(C[*:1])n1)C(N)=O
COC[C@@H](NC(=O)c1csc(Cc2ccccc2)n1)C(N)=O COC[*:1] NC(=O)[C@H](NC(=O)c1csc(Cc2ccccc2)n1)[*:1]
COC[C@@H](NC(=O)c1csc(Cc2ccccc2)n1)C(N)=O c1ccc(cc1)C[*:1] COC[C@@H](NC(=O)c1csc(n1)[*:1])C(N)=O
COC[C@@H](NC(=O)c1csc(Cc2ccccc2)n1)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)c1csc(Cc2ccccc2)n1)[*:1]
Cc1cc([C@@H]2[NH+]=C(C(C)C)N(C3CC3)C2=[NH2+])ccc1Br C1CC1[*:1] Cc1cc(ccc1Br)[C@@H]1[NH+]=C(C(C)C)N(C1=[NH2+])[*:1]
Cc1cc([C@@H]2[NH+]=C(C(C)C)N(C3CC3)C2=[NH2+])ccc1Br CC(C)[*:1] Cc1cc(ccc1Br)[C@@H]1[NH+]=C(N(C1=[NH2+])C1CC1)[*:1]
CCn1nccc1C(=O)N1CCO[C@@H](C(=O)NCCc2ccccc2OC)C1 COc1ccccc1[*:1] CCn1nccc1C(=O)N1CCO[C@H](C1)C(=O)NCC[*:1]
CCn1nccc1C(=O)N1CCO[C@@H](C(=O)NCCc2ccccc2OC)C1 CCn1nccc1[*:1] COc1ccccc1CCNC(=O)[C@H]1CN(CCO1)C(=O)[*:1]
CCn1nccc1C(=O)N1CCO[C@@H](C(=O)NCCc2ccccc2OC)C1 COc1ccccc1C[*:1] CCn1nccc1C(=O)N1CCO[C@H](C1)C(=O)NC[*:1]
O=C([O-])c1cn2ccnc2s1 O=C([O-])[*:1] c1cn2cc(sc2n1)[*:1]
O=C(Cc1ccc(-n2cnnn2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)-n1cnnn1)N1CCc2ccc(cc2C1)[*:1]
O=C(Cc1ccc(-n2cnnn2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 c1nnnn1[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
COc1cccc(CN2C(=O)N[C@](C)(C3CCN(C(=O)c4ccc(C)nc4)CC3)C2=O)c1OC COc1cccc(c1OC)[*:1] Cc1ccc(cn1)C(=O)N1CCC(CC1)[C@@]1(C)NC(=O)N(C[*:1])C1=O
COc1cccc(CN2C(=O)N[C@](C)(C3CCN(C(=O)c4ccc(C)nc4)CC3)C2=O)c1OC COc1cccc(C[*:1])c1OC Cc1ccc(cn1)C(=O)N1CCC(CC1)[C@@]1(C)NC(=O)N(C1=O)[*:1]
COc1cccc(CN2C(=O)N[C@](C)(C3CCN(C(=O)c4ccc(C)nc4)CC3)C2=O)c1OC Cc1ccc(cn1)[*:1] COc1cccc(CN2C(=O)N[C@@](C)(C2=O)C2CCN(CC2)C(=O)[*:1])c1OC
Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4)C3)sc2n1 Clc1ccc(cc1)[*:1] Cc1cc(=O)n2nc(sc2n1)N1CCC[C@H](C1)C(=O)N[*:1]
COCCN(C(=O)c1cccc([C@H]2CCc3nnc(C)n3C2)c1)C1CCN(C(C)=O)CC1 COCC[*:1] CC(=O)N1CCC(CC1)N(C(=O)c1cccc(c1)[C@H]1CCc2nnc(C)n2C1)[*:1]
COCCN(C(=O)c1cccc([C@H]2CCc3nnc(C)n3C2)c1)C1CCN(C(C)=O)CC1 COC[*:1] CC(=O)N1CCC(CC1)N(C[*:1])C(=O)c1cccc(c1)[C@H]1CCc2nnc(C)n2C1
COCCN(C(=O)c1cccc([C@H]2CCc3nnc(C)n3C2)c1)C1CCN(C(C)=O)CC1 CC(=O)N1CCC(CC1)[*:1] COCCN(C(=O)c1cccc(c1)[C@H]1CCc2nnc(C)n2C1)[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(nn1)-c1ccco1
O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 FC(F)(F)c1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(nn1)-c1ccco1
O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)N1CCN(CC1)c1ccc(nn1)[*:1]
C[C@@H](C(=O)NCCN1CCOCC1)c1ccc(-c2ccccc2)c(F)c1 C1CN(CCO1)[*:1] C[C@@H](C(=O)NCC[*:1])c1ccc(-c2ccccc2)c(F)c1
C[C@@H](C(=O)NCCN1CCOCC1)c1ccc(-c2ccccc2)c(F)c1 C1CN(CCO1)CC[*:1] C[C@@H](C(=O)N[*:1])c1ccc(-c2ccccc2)c(F)c1
C[C@@H](C(=O)NCCN1CCOCC1)c1ccc(-c2ccccc2)c(F)c1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NCCN1CCOCC1)c1ccc(c(F)c1)[*:1]
C[C@@H](C(=O)NCCN1CCOCC1)c1ccc(-c2ccccc2)c(F)c1 C1CN(CCO1)C[*:1] C[C@@H](C(=O)NC[*:1])c1ccc(-c2ccccc2)c(F)c1
CC(C)c1noc(C[NH+](C)Cc2ccc(F)cc2F)n1 CC(C)[*:1] C[NH+](Cc1nc(no1)[*:1])Cc1ccc(F)cc1F
Cc1ccc(-c2nnn(CC(=O)c3c[nH]c4ccccc34)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])c1c[nH]c2ccccc12
O=C(C[C@H](O)c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(C[C@H](O)c1ccccc1)N1CCO[C@@H](C1)[*:1]
O=C(C[C@H](O)c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N1CCO[C@H](C1)c1ccc(F)cc1
O=C(C[C@H](O)c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 O[C@H](c1ccccc1)[*:1] O=C(C[*:1])N1CCO[C@H](C1)c1ccc(F)cc1
Cc1cccc([C@@H](CC(=O)Nc2cccc(-c3ccno3)c2)n2cccc2)c1 Cc1cccc(c1)[*:1] O=C(C[C@@H](n1cccc1)[*:1])Nc1cccc(c1)-c1ccno1
Cc1cccc([C@@H](CC(=O)Nc2cccc(-c3ccno3)c2)n2cccc2)c1 c1cc(on1)[*:1] Cc1cccc(c1)[C@@H](CC(=O)Nc1cccc(c1)[*:1])n1cccc1
Cc1cccc([C@@H](CC(=O)Nc2cccc(-c3ccno3)c2)n2cccc2)c1 c1ccn(c1)[*:1] Cc1cccc(c1)[C@@H](CC(=O)Nc1cccc(c1)-c1ccno1)[*:1]
CN(C[C@H](O)CN1CCOCC1)C(=O)C(C)(C)c1ccccc1 C1CN(CCO1)C[*:1] CN(C[C@H](O)[*:1])C(=O)C(C)(C)c1ccccc1
CN(C[C@H](O)CN1CCOCC1)C(=O)C(C)(C)c1ccccc1 C1CN(CCO1)[*:1] CN(C[C@H](O)C[*:1])C(=O)C(C)(C)c1ccccc1
CN(C[C@H](O)CN1CCOCC1)C(=O)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CN(C[C@H](O)CN1CCOCC1)C(=O)C(C)(C)[*:1]
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccccc32)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)C(=O)c1cn(CC(=O)N[*:1])c2ccccc2c1=O
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccccc32)cc1OC Cc1ccc(cc1)C(=O)[*:1] COc1ccc(cc1OC)NC(=O)Cn1cc(c(=O)c2ccccc21)[*:1]
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccccc32)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)Cn1cc(C(=O)[*:1])c(=O)c2ccccc21
O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)CN[*:1] O=C(CSc1nnc(s1)[*:1])N1CCN(CC1)C(=O)c1ccco1
O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)C[*:1] O=C(CSc1nnc(N[*:1])s1)N1CCN(CC1)C(=O)c1ccco1
O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(CC1)C(=O)[*:1]
O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(CSc1nnc(NC[*:1])s1)N1CCN(CC1)C(=O)c1ccco1
CN(CC(F)(F)F)C(=O)CNC(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CN(CC(F)(F)F)C(=O)CNC(=O)Nc1cnc(s1)[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)Nc1cnc(-c2ccccc2)s1 FC(F)(F)[*:1] CN(C[*:1])C(=O)CNC(=O)Nc1cnc(s1)-c1ccccc1
CN(CC(F)(F)F)C(=O)CNC(=O)Nc1cnc(-c2ccccc2)s1 FC(F)(F)C[*:1] CN(C(=O)CNC(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
CC(C)c1ccsc1C(=O)O[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] CC(C)c1ccsc1C(=O)O[C@@H](C)[*:1]
CC(C)c1ccsc1C(=O)O[C@@H](C)c1ccccn1 CC(C)[*:1] C[C@H](OC(=O)c1sccc1[*:1])c1ccccn1
O=c1nc(N2CCCCCC2)[nH+]c(N2CCCCCC2)[nH]1 C1CCCN(CC1)[*:1] O=c1nc([nH+]c([nH]1)N1CCCCCC1)[*:1]
C[NH2+]C[C@@H](Cc1cnn(C)c1)c1ccc(Cl)cc1 Cn1cc(cn1)[*:1] C[NH2+]C[C@@H](C[*:1])c1ccc(Cl)cc1
CC[C@@H](C)NC(=O)CNC1=NS(=O)(=O)C(c2ccc(C)c(C)c2)=C1C CC[C@@H](C)NC(=O)[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(C)c(C)c1)NC[*:1]
CC[C@@H](C)NC(=O)CNC1=NS(=O)(=O)C(c2ccc(C)c(C)c2)=C1C CC[C@@H](C)[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(C)c(C)c1)NCC(=O)N[*:1]
CC[C@@H](C)NC(=O)CNC1=NS(=O)(=O)C(c2ccc(C)c(C)c2)=C1C Cc1ccc(cc1C)[*:1] CC[C@@H](C)NC(=O)CNC1=NS(=O)(=O)C(=C1C)[*:1]
CC[C@@H](C)NC(=O)CNC1=NS(=O)(=O)C(c2ccc(C)c(C)c2)=C1C CC[C@@H](C)NC(=O)C[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(C)c(C)c1)N[*:1]
CCCSCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] CCCSCC(=O)N[C@H](c1cccs1)[*:1]
CCCSCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 CCCS[*:1] O=C(C[*:1])N[C@H](c1ccc(F)cc1)c1cccs1
CCCSCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 CCCSC[*:1] O=C(N[C@H](c1ccc(F)cc1)c1cccs1)[*:1]
CCCSCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 CCC[*:1] O=C(CS[*:1])N[C@H](c1ccc(F)cc1)c1cccs1
CCCSCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] CCCSCC(=O)N[C@H](c1ccc(F)cc1)[*:1]
CN(C(=O)C1CCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 C1CCC(C1)[*:1] CN(C(=O)C1CCC1)c1nc(cs1)-c1ccc2c(c1)CCCN2C(=O)[*:1]
CN(C(=O)C1CCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 CN(C(=O)C1CCC1)[*:1] O=C(C1CCCC1)N1CCCc2cc(ccc21)-c1csc(n1)[*:1]
CN(C(=O)C1CCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 C1CC(C1)[*:1] CN(C(=O)[*:1])c1nc(cs1)-c1ccc2c(c1)CCCN2C(=O)C1CCCC1
COCc1ccccc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 COC[*:1] C[C@H](CNC(=O)Nc1ccccc1[*:1])C[NH+]1CCCC1
Cc1noc(-c2ccccc2Cl)c1C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1noc(-c2ccccc2Cl)c1C(=O)N1CCC(CC1)[*:1]
Cc1noc(-c2ccccc2Cl)c1C(=O)N1CCC(Cc2ccccc2)CC1 Clc1ccccc1[*:1] Cc1noc(c1C(=O)N1CCC(CC1)Cc1ccccc1)[*:1]
Cc1noc(-c2ccccc2Cl)c1C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1noc(-c2ccccc2Cl)c1C(=O)N1CCC(CC1)C[*:1]
N#C[C@@H]1c2ccccc2C=CN1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#C[C@@H]1c2ccccc2C=CN1C(=O)[*:1]
Cc1csc(C[S@](=O)CC(=O)Nc2cc(Cl)ccc2C)n1 Cc1csc(C[*:1])n1 Cc1ccc(Cl)cc1NC(=O)C[S@@](=O)[*:1]
Cc1csc(C[S@](=O)CC(=O)Nc2cc(Cl)ccc2C)n1 Cc1csc(n1)[*:1] Cc1ccc(Cl)cc1NC(=O)C[S@@](=O)C[*:1]
CS(=O)(=O)NC[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 CS(=O)(=O)NC[*:1] [NH3+]C1(CCC1)CC(=O)N1CCC[C@@H](C1)[*:1]
CS(=O)(=O)NC[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 CS(=O)(=O)N[*:1] [NH3+]C1(CCC1)CC(=O)N1CCC[C@@H](C1)C[*:1]
COCCNC(=O)[C@@H](C)S[C@H](C)c1cc(F)ccc1F COC[*:1] C[C@@H](S[C@H](C)c1cc(F)ccc1F)C(=O)NC[*:1]
COCCNC(=O)[C@@H](C)S[C@H](C)c1cc(F)ccc1F COCC[*:1] C[C@@H](S[C@H](C)c1cc(F)ccc1F)C(=O)N[*:1]
COC[C@H](NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2)C(N)=O Cc1ccc(cc1)[*:1] COC[C@H](NC(=O)c1nn(c2CCCCc12)[*:1])C(N)=O
COC[C@H](NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)c1nn(-c2ccc(C)cc2)c2CCCCc12)[*:1]
COC[C@H](NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2)C(N)=O COC[*:1] Cc1ccc(cc1)-n1nc(C(=O)N[C@H](C(N)=O)[*:1])c2CCCCc21
CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1CC CCOC(=O)[*:1] CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1CC Clc1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc(C)c1CC
Cc1cccc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(Nc1ccc(F)cc1)NC1CCN(CC1)C(=O)[*:1]
Cc1cccc(C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(C(=O)N2CCC(CC2)NC(=O)N[*:1])c1C
Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1C O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N1CCC(CC1)[*:1]
Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)CNC(=O)[*:1]
C[NH+](Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)C1CCSCC1 c1cc2OCOc2cc1[*:1] C[NH+](Cc1ccc(C(=O)NC[*:1])c(=O)[nH]1)C1CCSCC1
Cc1cccc(-c2nc(CCNS(=O)(=O)c3ccccc3F)cs2)c1 Cc1cccc(c1)[*:1] O=S(=O)(NCCc1csc(n1)[*:1])c1ccccc1F
Cc1cccc(-c2nc(CCNS(=O)(=O)c3ccccc3F)cs2)c1 Fc1ccccc1[*:1] Cc1cccc(c1)-c1nc(cs1)CCNS(=O)(=O)[*:1]
Cn1cc([C@H]2OCC[C@H]2C[NH2+]C2CC2)cn1 C1CC1[*:1] Cn1cc(cn1)[C@H]1OCC[C@H]1C[NH2+][*:1]
CCC[NH+]1CCCN(C(=O)CCc2ccc(Br)c(C)c2)CC1 CCC[*:1] Cc1cc(ccc1Br)CCC(=O)N1CCC[NH+](CC1)[*:1]
CCSC[C@@H](C)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 CCSC[*:1] C[C@@H](N(C)C(=O)[C@@H]1CCCN(C1)C(=O)c1ccccc1)[*:1]
CCSC[C@@H](C)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 CCS[*:1] C[C@H](C[*:1])N(C)C(=O)[C@@H]1CCCN(C1)C(=O)c1ccccc1
CCSC[C@@H](C)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CCSC[C@@H](C)N(C)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)on1 c1ccc(cc1)[*:1] Cc1cc(on1)C(=O)Oc1ccc(cc1)NC(=O)[*:1]
Cc1cc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)on1 Cc1cc(on1)[*:1] O=C(Nc1ccc(cc1)OC(=O)[*:1])c1ccccc1
O=C(c1cc(C2CC2)nc2ccc(Br)cc12)N1N=C(C(F)F)C[C@]1(O)C(F)F FC(F)[*:1] O=C(c1cc(nc2ccc(Br)cc12)C1CC1)N1N=C(C[C@@]1(O)[*:1])C(F)F
O=C(c1cc(C2CC2)nc2ccc(Br)cc12)N1N=C(C(F)F)C[C@]1(O)C(F)F C1CC1[*:1] O=C(c1cc(nc2ccc(Br)cc12)[*:1])N1N=C(C[C@]1(O)C(F)F)C(F)F
O=C(c1cc(C2CC2)nc2ccc(Br)cc12)N1N=C(C(F)F)C[C@]1(O)C(F)F FC(F)[*:1] O=C(c1cc(nc2ccc(Br)cc12)C1CC1)N1N=C(C[C@]1(O)C(F)F)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C)c1 CCN(CC)C(=O)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(c1)[*:1]
COCc1csc(NC(=O)NNc2ccccc2)n1 COC[*:1] O=C(NNc1ccccc1)Nc1nc(cs1)[*:1]
COCc1csc(NC(=O)NNc2ccccc2)n1 c1ccc(cc1)[*:1] COCc1csc(n1)NC(=O)NN[*:1]
CN(C(=O)C/C=C/c1ccc(F)cc1)c1cc(F)ccc1F Fc1ccc(cc1)[*:1] CN(C(=O)CC=C[*:1])c1cc(F)ccc1F
COc1ccccc1-c1nnc(SCc2c(C)cc(C)cc2C)n1N COc1ccccc1[*:1] Cc1cc(C)c(CSc2nnc(n2N)[*:1])c(C)c1
C[C@H](NC(=O)C1(C#N)CCC1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)C1(C#N)CCC1)c1cccc(c1)[*:1]
C[C@H](NC(=O)C1(C#N)CCC1)c1cccc(-n2cccn2)c1 N#CC1(CCC1)[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)-n1cccn1
CC(C)[NH2+][C@@H](CCO)C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)[NH2+][C@@H](CCO)C1CCN(CC1)C(=O)O[*:1]
CC(C)[NH2+][C@@H](CCO)C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)[C@H](CCO)[NH2+][*:1]
CC(C)[NH2+][C@@H](CCO)C1CCN(C(=O)OC(C)(C)C)CC1 OCC[*:1] CC(C)[NH2+][C@@H](C1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
CCc1ccc(C2=C(C)C(N3CCC(C(=O)NC)CC3)=NS2(=O)=O)cc1 CNC(=O)[*:1] CCc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCC(CC1)[*:1]
CCc1ccc(C2=C(C)C(N3CCC(C(=O)NC)CC3)=NS2(=O)=O)cc1 CCc1ccc(cc1)[*:1] CNC(=O)C1CCN(CC1)C1=NS(=O)(=O)C(=C1C)[*:1]
COCc1cc(Cl)nc([C@H]2CSCCS2)n1 COC[*:1] Clc1cc(nc(n1)[C@H]1CSCCS1)[*:1]
COC(=O)c1c([O-])n(O)c2ccc(OC)cc2[n+]1=O COC(=O)[*:1] COc1ccc2c(c1)[n+](=O)c(c([O-])n2O)[*:1]
CCn1c(SCC(=O)c2ccc(C)cc2C)nc2ccccc2c1=O Cc1ccc(c(C)c1)[*:1] CCn1c(nc2ccccc2c1=O)SCC(=O)[*:1]
CC[C@@](C)(C(=O)Nc1ccccc1C)N(C(=O)CNC(C)=O)c1ccccc1C Cc1ccccc1[*:1] CC[C@@](C)(C(=O)N[*:1])N(C(=O)CNC(C)=O)c1ccccc1C
CC[C@@](C)(C(=O)Nc1ccccc1C)N(C(=O)CNC(C)=O)c1ccccc1C CC(=O)NC[*:1] CC[C@@](C)(C(=O)Nc1ccccc1C)N(C(=O)[*:1])c1ccccc1C
CC[C@@](C)(C(=O)Nc1ccccc1C)N(C(=O)CNC(C)=O)c1ccccc1C CC(=O)N[*:1] CC[C@@](C)(C(=O)Nc1ccccc1C)N(C(=O)C[*:1])c1ccccc1C
CC[C@@](C)(C(=O)Nc1ccccc1C)N(C(=O)CNC(C)=O)c1ccccc1C Cc1ccccc1[*:1] CC[C@@](C)(C(=O)Nc1ccccc1C)N(C(=O)CNC(C)=O)[*:1]
COc1ccccc1CNC(=O)N[C@H]1CCCOc2ccccc21 COc1ccccc1[*:1] O=C(NC[*:1])N[C@H]1CCCOc2ccccc21
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NCC#Cc1ccccc1 FC(F)(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)NCC#Cc1ccccc1
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NCC#Cc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(cc1)OC(F)(F)F)C(=O)NCC#C[*:1]
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NCC#Cc1ccccc1 C(#C[*:1])c1ccccc1 CN(Cc1ccc(cc1)OC(F)(F)F)C(=O)NC[*:1]
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NCC#Cc1ccccc1 FC(F)(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)NCC#Cc1ccccc1
COc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3cccc(C)c3)no2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)-c1noc(n1)[C@H]1CCCN1C(=O)N[*:1]
COc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3cccc(C)c3)no2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@@H]1c1nc(no1)[*:1]
NC(=O)c1ccc(NC(=O)N(CC2CC2)C2CCCCC2)c(F)c1 C1CC1C[*:1] NC(=O)c1ccc(NC(=O)N(C2CCCCC2)[*:1])c(F)c1
NC(=O)c1ccc(NC(=O)N(CC2CC2)C2CCCCC2)c(F)c1 C1CCC(CC1)[*:1] NC(=O)c1ccc(NC(=O)N(CC2CC2)[*:1])c(F)c1
NC(=O)c1ccc(NC(=O)N(CC2CC2)C2CCCCC2)c(F)c1 NC(=O)[*:1] O=C(Nc1ccc(cc1F)[*:1])N(CC1CC1)C1CCCCC1
NC(=O)c1ccc(NC(=O)N(CC2CC2)C2CCCCC2)c(F)c1 C1CC1[*:1] NC(=O)c1ccc(NC(=O)N(C[*:1])C2CCCCC2)c(F)c1
O=C(CCSc1ccc2c(c1)OCCO2)Nc1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(CCSc1ccc2OCCOc2c1)N[*:1]
CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)s1 CC(C)NC(=O)C[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1nnc(S[*:1])s1
CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)s1 O=[N+]([O-])c1cccc(c1)[*:1] CC(C)NC(=O)CSc1nnc(s1)N1CCN(CC1)C(=O)[*:1]
CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)s1 CC(C)[*:1] O=C(CSc1nnc(s1)N1CCN(CC1)C(=O)c1cccc(c1)[N+](=O)[O-])N[*:1]
CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)s1 CC(C)NC(=O)CS[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1nnc(s1)[*:1]
CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)s1 O=[N+]([O-])[*:1] CC(C)NC(=O)CSc1nnc(s1)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)s1 CC(C)NC(=O)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1nnc(SC[*:1])s1
Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](C)[C@H](O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@@H](C)[C@H](O)[*:1])-c1cccnc1
Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](C)[C@H](O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@@H](C)[C@H](O)C[*:1])-c1cccnc1
Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](C)[C@H](O)Cc1ccccc1 c1cncc(c1)[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@@H](C)[C@H](O)Cc1ccccc1)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(CN2CCSCC2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CN2CCSCC2)C1=O)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(CN2CCSCC2)C1=O C1CN(CCS1)C[*:1] CC[C@@]1(NC(=O)N(C1=O)[*:1])c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CN2CCSCC2)C1=O C1CN(CCS1)[*:1] CC[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
Cc1c(C(=O)[O-])c(-c2ccccc2)nn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(C(=O)[O-])c(nn1C[*:1])-c1ccccc1
Cc1c(C(=O)[O-])c(-c2ccccc2)nn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(C(=O)[O-])c(nn1Cc1ccccc1)[*:1]
Cc1c(C(=O)[O-])c(-c2ccccc2)nn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1c(C(=O)[O-])c(nn1[*:1])-c1ccccc1
Cc1c(C(=O)[O-])c(-c2ccccc2)nn1Cc1ccccc1 O=C([O-])[*:1] Cc1c(c(nn1Cc1ccccc1)-c1ccccc1)[*:1]
O=C1CCCC2=C1[C@@H](c1ccc(OCc3cccc(Cl)c3)cc1)n1nnnc1N2 Clc1cccc(c1)CO[*:1] O=C1CCCC2Nc3nnnn3[C@@H](C=21)c1ccc(cc1)[*:1]
O=C1CCCC2=C1[C@@H](c1ccc(OCc3cccc(Cl)c3)cc1)n1nnnc1N2 Clc1cccc(c1)C[*:1] O=C1CCCC2Nc3nnnn3[C@@H](C=21)c1ccc(cc1)O[*:1]
O=C1CCCC2=C1[C@@H](c1ccc(OCc3cccc(Cl)c3)cc1)n1nnnc1N2 Clc1cccc(c1)[*:1] O=C1CCCC2Nc3nnnn3[C@@H](C=21)c1ccc(cc1)OC[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(OCC)cc2)c1 CCNS(=O)(=O)[*:1] CCOc1ccc(cc1)NC(=O)c1cc(ccc1C)[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(OCC)cc2)c1 CCO[*:1] CCNS(=O)(=O)c1ccc(C)c(c1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(-c2nc(NC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])sc2C)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1nc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]2[*:1])sc1C
Cc1ccc(-c2nc(NC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])sc2C)cc1 Cc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]
CCOC[C@@H]1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)C1 c1csc(c1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)c1cc(nc2ccccc12)[*:1]
CCOC[C@@H]1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)C1 CCOC[*:1] O=C(c1cc(nc2ccccc12)-c1cccs1)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)C1 CCO[*:1] O=C(c1cc(nc2ccccc12)-c1cccs1)N1CC[C@H](C1)C[*:1]
CC1CCN(c2oc(-c3ccccc3)nc2C#N)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)c1oc(nc1C#N)[*:1]
COc1ccc(C(=O)CCC(=O)Nc2ccc(SC)nc2)cc1F CSc1ccc(cn1)[*:1] COc1ccc(cc1F)C(=O)CCC(=O)N[*:1]
CC(C)c1nc(-c2ccc(F)cn2)nc([O-])c1Br CC(C)[*:1] [O-]c1nc(nc(c1Br)[*:1])-c1ccc(F)cn1
Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)s2)CC1=O O=C1c2ccccc2C(=O)N1[*:1] Cc1ccccc1N1C[C@H](CC1=O)c1nnc(NC(=O)CCC[*:1])s1
Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)s2)CC1=O Cc1ccccc1[*:1] O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(F)c(C(=O)N2CCC(OCC3CCCC3)CC2)c1F CCO[*:1] O=C(c1c(F)ccc(c1F)[*:1])N1CCC(CC1)OCC1CCCC1
CCOc1ccc(F)c(C(=O)N2CCC(OCC3CCCC3)CC2)c1F C1CCC(C1)CO[*:1] CCOc1ccc(F)c(C(=O)N2CCC(CC2)[*:1])c1F
CCOc1ccc(F)c(C(=O)N2CCC(OCC3CCCC3)CC2)c1F C1CCC(C1)C[*:1] CCOc1ccc(F)c(C(=O)N2CCC(CC2)O[*:1])c1F
CCOc1ccc(F)c(C(=O)N2CCC(OCC3CCCC3)CC2)c1F C1CCC(C1)[*:1] CCOc1ccc(F)c(C(=O)N2CCC(CC2)OC[*:1])c1F
O=C([O-])/C=C/c1c(-c2ccc(-c3ccccc3)cc2)nc2ccccn12 c1ccc(cc1)[*:1] O=C([O-])/C=C/c1c(nc2ccccn12)-c1ccc(cc1)[*:1]
O=C([O-])/C=C/c1c(-c2ccc(-c3ccccc3)cc2)nc2ccccn12 O=C([O-])[*:1] C(=C[*:1])c1c(nc2ccccn12)-c1ccc(cc1)-c1ccccc1
C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NCCc4cccc(F)c4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 Fc1cccc(c1)[*:1] C[C@@H]1CC[C@H]2C(=O)N(C(=O)[C@@H]2C1)c1ccc(NCC[*:1])c(c1)[N+](=O)[O-]
C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NCCc4cccc(F)c4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 Fc1cccc(c1)C[*:1] C[C@@H]1CC[C@H]2C(=O)N(C(=O)[C@@H]2C1)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NCCc4cccc(F)c4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 Fc1cccc(c1)CCN[*:1] C[C@@H]1CC[C@H]2C(=O)N(C(=O)[C@@H]2C1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NCCc4cccc(F)c4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 O=[N+]([O-])[*:1] C[C@@H]1CC[C@H]2C(=O)N(C(=O)[C@@H]2C1)c1ccc(NCCc2cccc(F)c2)c(c1)[*:1]
C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NCCc4cccc(F)c4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 Fc1cccc(c1)CC[*:1] C[C@@H]1CC[C@H]2C(=O)N(C(=O)[C@@H]2C1)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
O=C(Cc1ccc(F)cc1)NCCNC(=O)C1(c2ccc(F)cc2)CCCC1 Fc1ccc(cc1)C[*:1] O=C(NCCNC(=O)[*:1])C1(CCCC1)c1ccc(F)cc1
O=C(Cc1ccc(F)cc1)NCCNC(=O)C1(c2ccc(F)cc2)CCCC1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NCCNC(=O)C1(CCCC1)c1ccc(F)cc1
O=C(Cc1ccc(F)cc1)NCCNC(=O)C1(c2ccc(F)cc2)CCCC1 Fc1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)NCCNC(=O)C1(CCCC1)[*:1]
CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccccc1 CC(C)(C)[*:1] O=C(Nc1ccc2ncccc2c1)C(=O)N[C@@H](C[*:1])c1ccccc1
CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccccc1 CC(C)(C)C[*:1] O=C(Nc1ccc2ncccc2c1)C(=O)N[C@H](c1ccccc1)[*:1]
CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)[*:1]
Cc1cc(C)n2nc(C)c(C(=O)Nc3ccccc3F)c2n1 Fc1ccccc1[*:1] Cc1cc(C)n2nc(C)c(C(=O)N[*:1])c2n1
CCCCN(C(=O)CCl)c1ccccc1C CCC[*:1] Cc1ccccc1N(C[*:1])C(=O)CCl
CCCCN(C(=O)CCl)c1ccccc1C CCCC[*:1] Cc1ccccc1N(C(=O)CCl)[*:1]
Cc1cccnc1CNC(=O)NCc1cnc(OCC(C)C)c(Cl)c1 CC(C)CO[*:1] Cc1cccnc1CNC(=O)NCc1cnc(c(Cl)c1)[*:1]
Cc1cccnc1CNC(=O)NCc1cnc(OCC(C)C)c(Cl)c1 CC(C)[*:1] Cc1cccnc1CNC(=O)NCc1cnc(OC[*:1])c(Cl)c1
Cc1cccnc1CNC(=O)NCc1cnc(OCC(C)C)c(Cl)c1 Cc1cccnc1C[*:1] CC(C)COc1ncc(cc1Cl)CNC(=O)N[*:1]
Cc1cccnc1CNC(=O)NCc1cnc(OCC(C)C)c(Cl)c1 Cc1cccnc1[*:1] CC(C)COc1ncc(cc1Cl)CNC(=O)NC[*:1]
Cc1cccnc1CNC(=O)NCc1cnc(OCC(C)C)c(Cl)c1 CC(C)C[*:1] Cc1cccnc1CNC(=O)NCc1cnc(O[*:1])c(Cl)c1
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(C1CC1)C1CC1 C1CC1[*:1] C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(C1CC1)[*:1]
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(C1CC1)C1CC1 C1CC1C(C[*:1])C1CC1 C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[*:1]
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[*:1]
COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2S(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2S(=O)(=O)[*:1]
COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2S(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2S(=O)(=O)C[*:1]
CS(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)CNS(=O)(=O)[*:1]
CS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1 CS(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N(C[C@H]1CCCO1)c1nc2ccccc2s1
CS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1 c1ccc2sc(nc2c1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N(C[C@H]1CCCO1)[*:1]
CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)ccc1F CC(=O)N[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)c1ccc(F)c(c1)[*:1]
CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)ccc1F c1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1F)C(=O)N[C@@H]1C[C@@H](C)N(C1)[*:1]
C[N+](C)(CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)Cc1ccccc1 Clc1ccc(cc1)O[*:1] C[N+](C)(CC(=O)Nc1ccc(cc1)[*:1])Cc1ccccc1
C[N+](C)(CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)Cc1ccccc1 c1ccc(cc1)[*:1] C[N+](C)(CC(=O)Nc1ccc(cc1)Oc1ccc(Cl)cc1)C[*:1]
C[N+](C)(CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)Cc1ccccc1 Clc1ccc(cc1)[*:1] C[N+](C)(CC(=O)Nc1ccc(cc1)O[*:1])Cc1ccccc1
C[N+](C)(CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[N+](C)(CC(=O)Nc1ccc(cc1)Oc1ccc(Cl)cc1)[*:1]
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 c1c[nH]c(n1)[*:1] CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)-c1ncc[nH]1)[C@@H]1CSCN1C(=O)C[*:1]
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 CC(C)(C)C[*:1] O=C(Nc1ccc(cc1)-c1ncc[nH]1)[C@@H]1CSCN1C(=O)[*:1]
Cc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)C(=O)N[*:1])c1ccccc1
Cc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)C(=O)N[C@H](C(C)C)[*:1]
Cc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)C(=O)N[C@H](c1ccccc1)[*:1]
CNc1nc(C)c(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)s1 CNc1nc(C)c(s1)[*:1] O=C(N1CCN(CC1)[C@H]1CCc2ccccc2C1)[*:1]
O=C(c1ccc(Oc2ccccc2)o1)N1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccncc2)C1 c1cc(ccn1)C[*:1] O=C(c1ccc(Oc2ccccc2)o1)N1CCc2c(C1)c(nn2[*:1])C(=O)N1CCCC1
O=C(c1ccc(Oc2ccccc2)o1)N1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccncc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(O[*:1])o1)N1CCc2c(C1)c(nn2Cc1ccncc1)C(=O)N1CCCC1
O=C(c1ccc(Oc2ccccc2)o1)N1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccncc2)C1 c1ccc(cc1)O[*:1] O=C(c1ccc(o1)[*:1])N1CCc2c(C1)c(nn2Cc1ccncc1)C(=O)N1CCCC1
O=C(c1ccc(Oc2ccccc2)o1)N1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccncc2)C1 O=C(N1CCCC1)[*:1] O=C(c1ccc(Oc2ccccc2)o1)N1CCc2c(C1)c(nn2Cc1ccncc1)[*:1]
O=C(c1ccc(Oc2ccccc2)o1)N1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccncc2)C1 c1cc(ccn1)[*:1] O=C(c1ccc(Oc2ccccc2)o1)N1CCc2c(C1)c(nn2C[*:1])C(=O)N1CCCC1
O=C(c1ccc(Oc2ccccc2)o1)N1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccncc2)C1 c1ccc(cc1)Oc1ccc(o1)[*:1] O=C(c1nn(Cc2ccncc2)c2CCN(Cc12)C(=O)[*:1])N1CCCC1
Cc1c(N)cccc1NC(=O)[C@H](C)SC[C@@H](O)CO OC[C@H](O)[*:1] Cc1c(N)cccc1NC(=O)[C@H](C)SC[*:1]
Cc1c(N)cccc1NC(=O)[C@H](C)SC[C@@H](O)CO OC[C@H](O)CS[*:1] Cc1c(N)cccc1NC(=O)[C@H](C)[*:1]
Cc1c(N)cccc1NC(=O)[C@H](C)SC[C@@H](O)CO OC[C@H](O)C[*:1] Cc1c(N)cccc1NC(=O)[C@H](C)S[*:1]
Cn1c(=O)[nH]c2c(c1=O)CC[C@@H]2SC#N N#CS[*:1] Cn1c(=O)[nH]c2c(CC[C@H]2[*:1])c1=O
COc1ccc(C(=O)NCCNC(=O)c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] COc1ccc(cc1)C(=O)NCCNC(=O)[*:1]
CCc1nnc(CS[C@@H](c2ccccc2)c2ccc(F)c(F)c2)n1C Fc1ccc(cc1F)[*:1] CCc1nnc(CS[C@@H](c2ccccc2)[*:1])n1C
CCc1nnc(CS[C@@H](c2ccccc2)c2ccc(F)c(F)c2)n1C CCc1nnc(n1C)[*:1] Fc1ccc(cc1F)[C@@H](SC[*:1])c1ccccc1
CCc1nnc(CS[C@@H](c2ccccc2)c2ccc(F)c(F)c2)n1C c1ccc(cc1)[*:1] CCc1nnc(CS[C@@H](c2ccc(F)c(F)c2)[*:1])n1C
CC(C)CC[NH+]1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC1 CC(C)C[*:1] CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[NH+](CC1)C[*:1]
CC(C)CC[NH+]1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC1 CC(C)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[NH+](CC1)CC[*:1]
CC(C)CC[NH+]1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC1 Fc1cccc(Cl)c1[*:1] CC(C)CC[NH+]1CCN(CC1)CC(=O)N(C)C[*:1]
CC(C)CC[NH+]1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC1 CC(C)CC[*:1] CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[NH+](CC1)[*:1]
O=C(NC[C@H]1CCN(c2ccccc2)C1)C(=O)Nc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C(NC[C@H]1CCN(C1)c1ccccc1)C(=O)N[*:1]
O=C(NC[C@H]1CCN(c2ccccc2)C1)C(=O)Nc1cc(F)cc(F)c1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCN(C1)[*:1])C(=O)Nc1cc(F)cc(F)c1
C[NH+](C)C1(CNC(=O)CCc2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)[*:1] C[NH+](C)C1(CCCC1)CNC(=O)CC[*:1]
C#CCN(C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C[C@@H](C)NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)[*:1]
CCCOc1c(Cl)cc(C(=O)N2CCCCC2)cc1OC CCCO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)N1CCCCC1
CCCOc1c(Cl)cc(C(=O)N2CCCCC2)cc1OC CCC[*:1] COc1cc(cc(Cl)c1O[*:1])C(=O)N1CCCCC1
O=C(CSc1ncn[nH]1)N1CCc2ccccc2C1 c1n[nH]c(n1)S[*:1] O=C(C[*:1])N1CCc2ccccc2C1
O=C(CSc1ncn[nH]1)N1CCc2ccccc2C1 c1n[nH]c(n1)[*:1] O=C(CS[*:1])N1CCc2ccccc2C1
C[C@H]1CCC[C@H](CCNC(=O)NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)C1 C[C@H]1CCC[C@H](C1)[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)NCC[*:1]
C[C@H]1CCC[C@H](CCNC(=O)NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)C1 C[C@H]1CCC[C@H](CC[*:1])C1 C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)N[*:1]
C[C@H]1CCC[C@H](CCNC(=O)NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)C1 C[C@H]1CCC[C@@H](C1)C[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)NC[*:1]
CCC[C@H]1CN(C(=O)[C@H](C)CC2CCCC2)CCO1 CCC[*:1] C[C@H](CC1CCCC1)C(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)[C@H](C)CC2CCCC2)CCO1 C1CCC(C1)[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@H](C)C[*:1]
CCC[C@H]1CN(C(=O)[C@H](C)CC2CCCC2)CCO1 C1CCC(C1)C[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@H](C)[*:1]
C[C@@H](NC(=O)CCc1nc(-c2ccncc2)no1)c1cccc(C#N)c1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)CCc1nc(no1)[*:1])c1cccc(C#N)c1
C[C@@H](NC(=O)CCc1nc(-c2ccncc2)no1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](NC(=O)CCc1nc(no1)-c1ccncc1)[*:1]
CCc1nc(N2CCC3(CC2)OCCO3)c2nnn(Cc3ccccc3)c2n1 c1ccc(cc1)[*:1] CCc1nc(c2nnn(C[*:1])c2n1)N1CCC2(CC1)OCCO2
CCc1nc(N2CCC3(CC2)OCCO3)c2nnn(Cc3ccccc3)c2n1 c1ccc(cc1)C[*:1] CCc1nc(c2nnn(c2n1)[*:1])N1CCC2(CC1)OCCO2
O=C(c1ncccc1C(F)(F)F)N1CCC(c2nncn2C2CC2)CC1 C1CC1[*:1] O=C(c1ncccc1C(F)(F)F)N1CCC(CC1)c1nncn1[*:1]
O=C(c1ncccc1C(F)(F)F)N1CCC(c2nncn2C2CC2)CC1 c1nnc(n1C1CC1)[*:1] O=C(c1ncccc1C(F)(F)F)N1CCC(CC1)[*:1]
O=C(c1ncccc1C(F)(F)F)N1CCC(c2nncn2C2CC2)CC1 FC(F)(F)[*:1] O=C(c1ncccc1[*:1])N1CCC(CC1)c1nncn1C1CC1
O=C(c1cc(Cc2ccccc2)ccc1O)N1CC[C@@H]([N+]2=CCCC2)C1 c1ccc(cc1)[*:1] O=C(c1cc(ccc1O)C[*:1])N1CC[C@H](C1)[N+]1=CCCC1
O=C(c1cc(Cc2ccccc2)ccc1O)N1CC[C@@H]([N+]2=CCCC2)C1 c1ccc(cc1)C[*:1] O=C(c1cc(ccc1O)[*:1])N1CC[C@H](C1)[N+]1=CCCC1
COc1cccc(CN2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)c1OC c1coc(c1)[*:1] COc1cccc(CN2C(=O)[C@](N=C2O)(NC(=O)[*:1])C(F)(F)F)c1OC
COc1cccc(CN2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)c1OC O=C(N[*:1])c1ccco1 COc1cccc(CN2C(=O)[C@@](N=C2O)(C(F)(F)F)[*:1])c1OC
COc1cccc(CN2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)c1OC FC(F)(F)[*:1] COc1cccc(CN2C(=O)[C@@](N=C2O)(NC(=O)c2ccco2)[*:1])c1OC
COc1cccc(CN2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)c1OC COc1cccc(c1OC)[*:1] O=C(N[C@]1(N=C(O)N(C[*:1])C1=O)C(F)(F)F)c1ccco1
COc1cccc(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c1F c1ccc(cc1)[*:1] COc1cccc(C(=O)N2C[C@H](C)[C@H]2[*:1])c1F
CCC[NH2+]Cc1cc(C#N)cs1 CCC[*:1] N#Cc1csc(c1)C[NH2+][*:1]
C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccccc1CC(N)=O NC(=O)[*:1] C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccccc1C[*:1]
C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccccc1CC(N)=O NC(=O)C[*:1] C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccccc1[*:1]
CC(C)c1n[nH]c2c1[C@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2 CC(C)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@@H]1[C@H]1C=CCCC1)[*:1]
Cc1ccc(-c2csc(CC(=O)N(C)C)n2)c(C)c1 CN(C)C(=O)[*:1] Cc1ccc(-c2csc(C[*:1])n2)c(C)c1
Cc1ccc(-c2csc(CC(=O)N(C)C)n2)c(C)c1 CN(C)C(=O)C[*:1] Cc1ccc(-c2csc(n2)[*:1])c(C)c1
CCNC(=O)N1CCc2ccc(NC(=O)N[C@@H]3CCc4ccccc43)cc21 c1ccc2c(c1)CC[C@H]2[*:1] CCNC(=O)N1CCc2ccc(cc21)NC(=O)N[*:1]
Cc1ccc(C)c(OCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1C O=C(N1CCCC1)[*:1] Cc1ccc(C)c(OCC(=O)NCc2ccc(cc2)[*:1])c1C
Cc1ccc(C)c(OCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1C Cc1ccc(C)c(c1C)[*:1] O=C(CO[*:1])NCc1ccc(cc1)C(=O)N1CCCC1
CCN(Cc1ccccn1)C[C@@H]([NH3+])c1ccc(OC)cc1 c1ccc(nc1)[*:1] CCN(C[C@@H]([NH3+])c1ccc(cc1)OC)C[*:1]
CCN(Cc1ccccn1)C[C@@H]([NH3+])c1ccc(OC)cc1 c1ccc(C[*:1])nc1 CCN(C[C@@H]([NH3+])c1ccc(cc1)OC)[*:1]
CCCCCNC(=O)C1CCN(C(=O)C(=O)Nc2cncc(C)c2)CC1 CCCCCNC(=O)[*:1] Cc1cncc(c1)NC(=O)C(=O)N1CCC(CC1)[*:1]
CCCCCNC(=O)C1CCN(C(=O)C(=O)Nc2cncc(C)c2)CC1 CCC[*:1] Cc1cncc(c1)NC(=O)C(=O)N1CCC(CC1)C(=O)NCC[*:1]
CCCCCNC(=O)C1CCN(C(=O)C(=O)Nc2cncc(C)c2)CC1 Cc1cncc(c1)[*:1] CCCCCNC(=O)C1CCN(CC1)C(=O)C(=O)N[*:1]
CCCCCNC(=O)C1CCN(C(=O)C(=O)Nc2cncc(C)c2)CC1 CCCCC[*:1] Cc1cncc(c1)NC(=O)C(=O)N1CCC(CC1)C(=O)N[*:1]
CCCCCNC(=O)C1CCN(C(=O)C(=O)Nc2cncc(C)c2)CC1 CCCC[*:1] Cc1cncc(c1)NC(=O)C(=O)N1CCC(CC1)C(=O)NC[*:1]
CC(C)(C)C(=O)NCC(C)(C)[NH+]1CCCCC1 CC(C)(C)[*:1] CC(C)(CNC(=O)[*:1])[NH+]1CCCCC1
Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccccc2Cl)o1 c1ccc(cc1)[*:1] Cc1onc(c1-c1nnc(CSc2ccccc2Cl)o1)[*:1]
Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccccc2Cl)o1 Clc1ccccc1S[*:1] Cc1onc(-c2ccccc2)c1-c1nnc(C[*:1])o1
Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccccc2Cl)o1 Clc1ccccc1[*:1] Cc1onc(-c2ccccc2)c1-c1nnc(CS[*:1])o1
C[NH+](C)CCN1CC[NH+](CCCCS)CC1 C[NH+](C)C[*:1] SCCCC[NH+]1CCN(CC1)C[*:1]
C[NH+](C)CCN1CC[NH+](CCCCS)CC1 SCCC[*:1] C[NH+](C)CCN1CC[NH+](CC1)C[*:1]
C[NH+](C)CCN1CC[NH+](CCCCS)CC1 SCCCC[*:1] C[NH+](C)CCN1CC[NH+](CC1)[*:1]
C[NH+](C)CCN1CC[NH+](CCCCS)CC1 SCC[*:1] C[NH+](C)CCN1CC[NH+](CC1)CC[*:1]
C[NH+](C)CCN1CC[NH+](CCCCS)CC1 C[NH+](C)CC[*:1] SCCCC[NH+]1CCN(CC1)[*:1]
Cn1cc(C(N)=O)c(NC(=O)[C@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 NC(=O)[*:1] Cn1cc(c(n1)NC(=O)[C@H]1CC[C@@H]2CCCC[C@@H]2C1)[*:1]
O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)c1csc(-c2cccs2)n1 O=C([O-])[*:1] O=C(c1csc(n1)-c1cccs1)N1Cc2[nH+]c[nH]c2C[C@H]1[*:1]
O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)c1csc(n1)[*:1]
O=C(CC1CCCC1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(CC1CCCC1)NC[C@@H](c1c[nH]c2ccccc12)[*:1]
O=C(CC1CCCC1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 C1CCC(C1)C[*:1] O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
O=C(CC1CCCC1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 C1CCC(C1)[*:1] O=C(C[*:1])NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12
COc1cccc(-n2c(SCC(=O)NCc3ccc4c(c3)OCO4)nc3ccccc3c2=O)c1 c1cc2OCOc2cc1C[*:1] COc1cccc(c1)-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
COc1cccc(-n2c(SCC(=O)NCc3ccc4c(c3)OCO4)nc3ccccc3c2=O)c1 COc1cccc(c1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])NCc1ccc2OCOc2c1
COc1cccc(-n2c(SCC(=O)NCc3ccc4c(c3)OCO4)nc3ccccc3c2=O)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)-n1c(nc2ccccc2c1=O)SCC(=O)NC[*:1]
Cc1ccc(/C(N)=N/OCC(=O)Nc2ccc(OC(F)F)cc2)cc1F FC(F)[*:1] Cc1ccc(cc1F)/C(N)=N/OCC(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(/C(N)=N/OCC(=O)Nc2ccc(OC(F)F)cc2)cc1F Cc1ccc(cc1F)[*:1] N/C(=N\OCC(=O)Nc1ccc(cc1)OC(F)F)[*:1]
Cc1ccc(/C(N)=N/OCC(=O)Nc2ccc(OC(F)F)cc2)cc1F FC(F)O[*:1] Cc1ccc(cc1F)/C(N)=N/OCC(=O)Nc1ccc(cc1)[*:1]
Cc1[nH]c(=O)n(C)c(=O)c1CC(=O)[O-] O=C([O-])C[*:1] Cc1[nH]c(=O)n(C)c(=O)c1[*:1]
Cc1[nH]c(=O)n(C)c(=O)c1CC(=O)[O-] O=C([O-])[*:1] Cc1[nH]c(=O)n(C)c(=O)c1C[*:1]
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c2ccc(F)cc21 O=C([O-])C[*:1] O=C([O-])[C@@H](c1cn(c2cc(F)ccc12)[*:1])[NH+]1CCN(CC1)Cc1cccc(Cl)c1
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c2ccc(F)cc21 O=C([O-])[*:1] O=C([O-])[C@@H](c1cn(C[*:1])c2cc(F)ccc12)[NH+]1CCN(CC1)Cc1cccc(Cl)c1
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c2ccc(F)cc21 Clc1cccc(c1)[*:1] O=C([O-])Cn1cc(c2ccc(F)cc21)[C@H](C(=O)[O-])[NH+]1CCN(CC1)C[*:1]
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c2ccc(F)cc21 Clc1cccc(c1)C[*:1] O=C([O-])Cn1cc(c2ccc(F)cc21)[C@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
CCOCCCNC(=O)C1=NN(C)C(=O)CC1 CCO[*:1] CN1N=C(CCC1=O)C(=O)NCCC[*:1]
CCOCCCNC(=O)C1=NN(C)C(=O)CC1 CCOC[*:1] CN1N=C(CCC1=O)C(=O)NCC[*:1]
CCOCCCNC(=O)C1=NN(C)C(=O)CC1 CCOCC[*:1] CN1N=C(CCC1=O)C(=O)NC[*:1]
Cc1ccc(C[C@H](C)n2c(CCCl)nc3cnccc32)s1 Cc1ccc(s1)[*:1] C[C@@H](C[*:1])n1c(CCCl)nc2cnccc21
Cc1ccc(C[C@H](C)n2c(CCCl)nc3cnccc32)s1 Cc1ccc(C[*:1])s1 C[C@H](n1c(CCCl)nc2cnccc21)[*:1]
Cc1ccc(C[C@H](C)n2c(CCCl)nc3cnccc32)s1 ClCC[*:1] Cc1ccc(C[C@H](C)n2c(nc3cnccc32)[*:1])s1
O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc[nH]1 O=C1CCCN1[*:1] O=C(N[C@H](C[*:1])c1ccccc1)c1ccc[nH]1
O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc[nH]1 c1ccc(cc1)[*:1] O=C(N[C@H](CN1CCCC1=O)[*:1])c1ccc[nH]1
O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C1CCCN1C[C@@H](NC(=O)[*:1])c1ccccc1
O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc[nH]1 O=C1CCCN1C[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1ccc[nH]1
Cc1cccc(NC(=O)CC[NH2+]Cc2cnc(-c3ccsc3)s2)n1 Cc1cccc(n1)[*:1] O=C(CC[NH2+]Cc1cnc(s1)-c1ccsc1)N[*:1]
Cc1cccc(NC(=O)CC[NH2+]Cc2cnc(-c3ccsc3)s2)n1 c1cc(cs1)[*:1] Cc1cccc(n1)NC(=O)CC[NH2+]Cc1cnc(s1)[*:1]
Cc1ccc(OCCOc2c(Cl)cc(/C=N\n3cnnc3)cc2Cl)cc1 C(=Nn1cnnc1)[*:1] Cc1ccc(cc1)OCCOc1c(Cl)cc(cc1Cl)[*:1]
Cc1ccc(OCCOc2c(Cl)cc(/C=N\n3cnnc3)cc2Cl)cc1 Cc1ccc(cc1)O[*:1] Clc1cc(/C=N\n2cnnc2)cc(Cl)c1OCC[*:1]
Cc1ccc(OCCOc2c(Cl)cc(/C=N\n3cnnc3)cc2Cl)cc1 Cc1ccc(cc1)[*:1] Clc1cc(/C=N\n2cnnc2)cc(Cl)c1OCCO[*:1]
CC1=C(C#N)[C@H](NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)N(C[C@@H]2CCCO2)[C@H]1C Cc1ccc(cc1)[*:1] CC1=C(C#N)[C@H](NC(=O)CSc2nc(n[nH]2)[*:1])N(C[C@@H]2CCCO2)[C@H]1C
CC1=C(C#N)[C@H](NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)N(C[C@@H]2CCCO2)[C@H]1C C1CO[C@@H](C1)[*:1] CC1=C(C#N)[C@H](NC(=O)CSc2nc(n[nH]2)-c2ccc(C)cc2)N(C[*:1])[C@H]1C
CC1=C(C#N)[C@H](NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)N(C[C@@H]2CCCO2)[C@H]1C C1CO[C@@H](C1)C[*:1] CC1=C(C#N)[C@H](NC(=O)CSc2nc(n[nH]2)-c2ccc(C)cc2)N([C@H]1C)[*:1]
O=[N+]([O-])c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] O=[N+]([O-])c1cc(ccc1NN=C[*:1])C(F)(F)F
O=[N+]([O-])c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 FC(F)(F)[*:1] O=[N+]([O-])c1ccc(/C=N/Nc2ccc(cc2[N+](=O)[O-])[*:1])o1
O=[N+]([O-])c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(/C=N/Nc2ccc(cc2[*:1])C(F)(F)F)o1
O=[N+]([O-])c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1N/N=C/c1ccc(o1)[*:1])C(F)(F)F
O=C(Cc1ccc(Cl)cc1)NCc1nnc2ccc(C(F)(F)F)cn12 Clc1ccc(cc1)[*:1] O=C(C[*:1])NCc1nnc2ccc(cn12)C(F)(F)F
O=C(Cc1ccc(Cl)cc1)NCc1nnc2ccc(C(F)(F)F)cn12 FC(F)(F)[*:1] O=C(Cc1ccc(Cl)cc1)NCc1nnc2ccc(cn12)[*:1]
O=C(Cc1ccc(Cl)cc1)NCc1nnc2ccc(C(F)(F)F)cn12 Clc1ccc(cc1)C[*:1] O=C(NCc1nnc2ccc(cn12)C(F)(F)F)[*:1]
C[C@H](Sc1nnnn1-c1cccc(Cl)c1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@H](Sc1nnnn1-c1cccc(Cl)c1)c1nnc(o1)[*:1]
C[C@H](Sc1nnnn1-c1cccc(Cl)c1)c1nnc(-c2ccccc2)o1 Clc1cccc(c1)[*:1] C[C@H](Sc1nnnn1[*:1])c1nnc(o1)-c1ccccc1
CCN(CC)C(=O)c1n[nH]c2c1CN(C(=O)Cc1ccc(OC)cc1)CC2 CCN(CC)C(=O)[*:1] COc1ccc(cc1)CC(=O)N1CCc2[nH]nc(c2C1)[*:1]
CCN(CC)C(=O)c1n[nH]c2c1CN(C(=O)Cc1ccc(OC)cc1)CC2 COc1ccc(cc1)[*:1] CCN(CC)C(=O)c1n[nH]c2CCN(Cc12)C(=O)C[*:1]
CCN(CC)C(=O)c1n[nH]c2c1CN(C(=O)Cc1ccc(OC)cc1)CC2 COc1ccc(cc1)C[*:1] CCN(CC)C(=O)c1n[nH]c2CCN(Cc12)C(=O)[*:1]
Cn1ccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] Cn1ccc(n1)NC(=O)N1CCC(CC1)[*:1]
Cn1ccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)n1 Cn1ccc(n1)[*:1] O=C(N[*:1])N1CCC(CC1)c1ccc(F)cc1
NC(=O)CCNC(=O)CCCc1cc(F)ccc1F NC(=O)CC[*:1] O=C(CCCc1cc(F)ccc1F)N[*:1]
NC(=O)CCNC(=O)CCCc1cc(F)ccc1F NC(=O)C[*:1] O=C(CCCc1cc(F)ccc1F)NC[*:1]
NC(=O)CCNC(=O)CCCc1cc(F)ccc1F NC(=O)[*:1] O=C(CCCc1cc(F)ccc1F)NCC[*:1]
O=[N+]([O-])c1cc(Cl)cnc1N[C@@H](CO)c1ccc(Cl)c(F)c1 O=[N+]([O-])[*:1] OC[C@H](Nc1ncc(Cl)cc1[*:1])c1ccc(Cl)c(F)c1
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN3CC(=O)N4CSC[C@@H]4C3=O)cc2)CC1 Cc1ccc(Cl)cc1[*:1] O=C(c1ccc(cc1)CN1CC(=O)N2CSC[C@@H]2C1=O)N1CCN(CC1)[*:1]
CSc1ccsc1C(=O)NOCC(N)=O NC(=O)C[*:1] CSc1ccsc1C(=O)NO[*:1]
CSc1ccsc1C(=O)NOCC(N)=O NC(=O)[*:1] CSc1ccsc1C(=O)NOC[*:1]
O=C1COc2ccc(C(=O)C3CC[NH+](Cc4ccc(Cl)s4)CC3)cc2N1 Clc1ccc(C[*:1])s1 O=C1COc2ccc(cc2N1)C(=O)C1CC[NH+](CC1)[*:1]
O=C1COc2ccc(C(=O)C3CC[NH+](Cc4ccc(Cl)s4)CC3)cc2N1 Clc1ccc(s1)[*:1] O=C1COc2ccc(cc2N1)C(=O)C1CC[NH+](CC1)C[*:1]
CC(=O)N1CCc2cc(NC(=O)CCC(F)(F)F)ccc21 FC(F)(F)C[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)C[*:1]
CC(=O)N1CCc2cc(NC(=O)CCC(F)(F)F)ccc21 FC(F)(F)CC[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)[*:1]
CC(=O)N1CCc2cc(NC(=O)CCC(F)(F)F)ccc21 FC(F)(F)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)CC[*:1]
COC(=O)c1sc(NC(=O)[C@@H](C)CSC)nc1C CSC[C@H](C)[*:1] COC(=O)c1sc(nc1C)NC(=O)[*:1]
COC(=O)c1sc(NC(=O)[C@@H](C)CSC)nc1C CSC[*:1] COC(=O)c1sc(nc1C)NC(=O)[C@@H](C)[*:1]
COC(=O)c1sc(NC(=O)[C@@H](C)CSC)nc1C COC(=O)[*:1] CSC[C@H](C)C(=O)Nc1nc(C)c(s1)[*:1]
COC[C@@H](O)CN1CCC([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 COC[*:1] C[C@@H]1C[C@H](CC(C)(C)C1)[NH2+]C1CCN(CC1)C[C@H](O)[*:1]
COC[C@@H](O)CN1CCC([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 COC[C@@H](O)[*:1] C[C@@H]1C[C@H](CC(C)(C)C1)[NH2+]C1CCN(CC1)C[*:1]
COC[C@@H](O)CN1CCC([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 COC[C@@H](O)C[*:1] C[C@@H]1C[C@H](CC(C)(C)C1)[NH2+]C1CCN(CC1)[*:1]
FC(F)(F)c1cccc(NCc2ccn(C3CCCC3)n2)c1 C1CCC(C1)[*:1] FC(F)(F)c1cccc(c1)NCc1ccn(n1)[*:1]
FC(F)(F)c1cccc(NCc2ccn(C3CCCC3)n2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])NCc1ccn(n1)C1CCCC1
Cc1cccc(C)c1NC(=O)c1ccc(COc2ccccc2)o1 c1ccc(cc1)OC[*:1] Cc1cccc(C)c1NC(=O)c1ccc(o1)[*:1]
Cc1cccc(C)c1NC(=O)c1ccc(COc2ccccc2)o1 Cc1cccc(C)c1[*:1] O=C(N[*:1])c1ccc(COc2ccccc2)o1
Cc1cccc(C)c1NC(=O)c1ccc(COc2ccccc2)o1 c1ccc(cc1)O[*:1] Cc1cccc(C)c1NC(=O)c1ccc(C[*:1])o1
Cc1cccc(C)c1NC(=O)c1ccc(COc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)c1ccc(CO[*:1])o1
CCOc1ccc(F)c(C(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1F CCO[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1c(F)ccc(c1F)[*:1]
Cc1cc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)no1 Cc1cc(no1)[*:1] O=C1CCCC(=O)N1c1ccc(cc1)NC(=O)[*:1]
CCCNC(=S)Nc1ncco1 CCC[*:1] S=C(Nc1ncco1)N[*:1]
CCOC(=O)c1c(NC(=O)CSc2ccccc2N)sc2c1CCCCCC2 Nc1ccccc1SC[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2CCCCCCc21
CCOC(=O)c1c(NC(=O)CSc2ccccc2N)sc2c1CCCCCC2 CCOC(=O)[*:1] Nc1ccccc1SCC(=O)Nc1sc2CCCCCCc2c1[*:1]
CCOC(=O)c1c(NC(=O)CSc2ccccc2N)sc2c1CCCCCC2 Nc1ccccc1[*:1] CCOC(=O)c1c(NC(=O)CS[*:1])sc2CCCCCCc21
CCOC(=O)c1c(NC(=O)CSc2ccccc2N)sc2c1CCCCCC2 Nc1ccccc1S[*:1] CCOC(=O)c1c(NC(=O)C[*:1])sc2CCCCCCc21
O=C(/C=C/SCc1ccco1)Nc1cccc(N2CCCC2=O)c1 c1coc(c1)C[*:1] O=C(/C=C/S[*:1])Nc1cccc(c1)N1CCCC1=O
O=C(/C=C/SCc1ccco1)Nc1cccc(N2CCCC2=O)c1 c1coc(c1)[*:1] O=C(/C=C/SC[*:1])Nc1cccc(c1)N1CCCC1=O
O=C(/C=C/SCc1ccco1)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(/C=C/SCc1ccco1)Nc1cccc(c1)[*:1]
O=C(/C=C/SCc1ccco1)Nc1cccc(N2CCCC2=O)c1 c1coc(c1)CS[*:1] O=C(C=C[*:1])Nc1cccc(c1)N1CCCC1=O
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCc3ccccn3)cnn2-c2ccc(F)cc2F)CC1 c1ccc(nc1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)c1c(cnn1-c1ccc(F)cc1F)C(=O)NC[*:1]
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCc3ccccn3)cnn2-c2ccc(F)cc2F)CC1 CC(C)(C)[*:1] O=C(NCc1ccccn1)c1cnn(-c2ccc(F)cc2F)c1C1CCN(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCc3ccccn3)cnn2-c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)c1c(cnn1[*:1])C(=O)NCc1ccccn1
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCc3ccccn3)cnn2-c2ccc(F)cc2F)CC1 O=C(NCc1ccccn1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)c1c(cnn1-c1ccc(F)cc1F)[*:1]
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCc3ccccn3)cnn2-c2ccc(F)cc2F)CC1 c1ccc(C[*:1])nc1 CC(C)(C)OC(=O)N1CCC(CC1)c1c(cnn1-c1ccc(F)cc1F)C(=O)N[*:1]
O=C(CSc1nnc(Cc2ccccc2)c([O-])n1)Nc1ccc(F)c(Cl)c1 c1ccc(cc1)[*:1] O=C(CSc1nnc(C[*:1])c([O-])n1)Nc1ccc(F)c(Cl)c1
O=C(CSc1nnc(Cc2ccccc2)c([O-])n1)Nc1ccc(F)c(Cl)c1 c1ccc(cc1)C[*:1] O=C(CSc1nnc(c([O-])n1)[*:1])Nc1ccc(F)c(Cl)c1
O=C(CSc1nnc(Cc2ccccc2)c([O-])n1)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(CSc1nnc(Cc2ccccc2)c([O-])n1)N[*:1]
CCN(Cc1cccs1)C[C@](C)([NH3+])CC c1csc(c1)[*:1] CCN(C[C@](C)([NH3+])CC)C[*:1]
CC(C)C[C@H]1CCCCN1C(=O)Nc1ccn(-c2ncccc2Cl)n1 CC(C)[*:1] O=C(Nc1ccn(n1)-c1ncccc1Cl)N1CCCC[C@@H]1C[*:1]
CC(C)C[C@H]1CCCCN1C(=O)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] CC(C)C[C@H]1CCCCN1C(=O)Nc1ccn(n1)[*:1]
CC(C)C[C@H]1CCCCN1C(=O)Nc1ccn(-c2ncccc2Cl)n1 CC(C)C[*:1] O=C(Nc1ccn(n1)-c1ncccc1Cl)N1CCCC[C@@H]1[*:1]
O=C(Nc1ncccc1O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 Oc1cccnc1[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCc2sccc2C1
CC[C@H]1CCC[C@H](OCc2ccc([N+](=O)[O-])c(NN)c2)C1 O=[N+]([O-])[*:1] CC[C@H]1CCC[C@@H](C1)OCc1ccc(c(c1)NN)[*:1]
CC(C)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)[*:1] CC(C)C(=O)N1CCO[C@H](C1)c1cccc(c1)O[*:1]
CC(C)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] CC(C)C(=O)N1CCO[C@H](C1)c1cccc(c1)[*:1]
CC(C)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 CC(C)[*:1] O=C(N1CCO[C@H](C1)c1cccc(c1)OC(F)F)[*:1]
C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] C[C@H](OC(=O)c1ccc2c(=O)n3CCCCCc3nc2c1)C(=O)N[*:1]
C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](OC(=O)c1ccc2c(=O)n3CCCCCc3nc2c1)C(=O)NC[*:1]
C[NH2+]C[C@H](CC[C@H]1CCCO1)c1ccc(Cl)cc1 C1CO[C@H](C1)[*:1] C[NH2+]C[C@H](CC[*:1])c1ccc(Cl)cc1
C[NH2+]C[C@H](CC[C@H]1CCCO1)c1ccc(Cl)cc1 C1CO[C@H](C1)C[*:1] C[NH2+]C[C@H](C[*:1])c1ccc(Cl)cc1
COc1cc(N2C[C@H](CNS(C)(=O)=O)OC2=O)cc(OC)c1OC CS(=O)(=O)N[*:1] COc1cc(cc(OC)c1OC)N1C[C@H](C[*:1])OC1=O
COc1cc(N2C[C@H](CNS(C)(=O)=O)OC2=O)cc(OC)c1OC CS(=O)(=O)NC[*:1] COc1cc(cc(OC)c1OC)N1C[C@H](OC1=O)[*:1]
Cn1cc(C(=O)N2CCn3c(nn(C)c3=O)C2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)N2CCn3c(C2)nn(C)c3=O)c(n1)[*:1]
O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCc1ccccc1Cl c1cc2OCOc2cc1[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])NCc1ccccc1Cl
O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cc1csc(n1)NC(=O)c1ccc2OCOc2c1)NC[*:1]
O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(Cc1csc(n1)NC(=O)c1ccc2OCOc2c1)N[*:1]
Cn1cccc1C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cn1cccc1C(=O)c1cccc(c1)[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1 COc1ccccc1[*:1] O=C(C1CCN(CC1)c1ccc(Cl)cn1)N1CCC[C@@H]1[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] COc1ccccc1[C@H]1CCCN1C(=O)C1CCN(CC1)[*:1]
O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CCc2sccc2C1 C1CN(CCO1)[*:1] O=C(NCc1ccc[nH+]c1[*:1])N1CCc2sccc2C1
O=C(NCC1(c2ccncc2)CC1)c1ccc(OC2CCC2)cc1Cl c1cc(ccn1)[*:1] O=C(NCC1(CC1)[*:1])c1ccc(cc1Cl)OC1CCC1
O=C(NCC1(c2ccncc2)CC1)c1ccc(OC2CCC2)cc1Cl C1CC(C1)[*:1] O=C(NCC1(CC1)c1ccncc1)c1ccc(cc1Cl)O[*:1]
O=C(NCC1(c2ccncc2)CC1)c1ccc(OC2CCC2)cc1Cl C1CC(C1)O[*:1] O=C(NCC1(CC1)c1ccncc1)c1ccc(cc1Cl)[*:1]
O=C(c1cccnc1N1CCC(OC[C@H]2CCCO2)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1cnc(c(c1)[*:1])N1CCC(CC1)OC[C@H]1CCCO1
C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(Br)cc2)C[C@@H](C)O1 Brc1ccc(cc1)[*:1] C[C@@H]1CN(CCC(=O)NNC(=O)[*:1])C[C@@H](C)O1
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 O=C([O-])[*:1] C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1c[nH]c(c1)[*:1]
C[C@H]([NH2+][C@@H](C)C1CCC1)c1cc(F)c(F)c(F)c1 C[C@@H](C1CCC1)[*:1] C[C@H]([NH2+][*:1])c1cc(F)c(F)c(F)c1
C[C@H]([NH2+][C@@H](C)C1CCC1)c1cc(F)c(F)c(F)c1 C1CC(C1)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1cc(F)c(F)c(F)c1
O=C(COC[C@H]1CCCO1)N[C@@H]1CCc2ccccc21 C1CO[C@H](C1)C[*:1] O=C(CO[*:1])N[C@@H]1CCc2ccccc21
O=C(COC[C@H]1CCCO1)N[C@@H]1CCc2ccccc21 C1CO[C@H](C1)[*:1] O=C(COC[*:1])N[C@@H]1CCc2ccccc21
CC[C@@H](C)n1ncc2c(C(=O)Nc3ccccc3C#N)cc(C)nc21 N#Cc1ccccc1[*:1] CC[C@@H](C)n1ncc2c(cc(C)nc21)C(=O)N[*:1]
CC[C@@H](C)n1ncc2c(C(=O)Nc3ccccc3C#N)cc(C)nc21 CC[C@@H](C)[*:1] Cc1cc(C(=O)Nc2ccccc2C#N)c2cnn(c2n1)[*:1]
COC(=O)c1cn(C[C@H](O)c2ccc(C)cc2C)nn1 COC(=O)[*:1] Cc1ccc(c(C)c1)[C@@H](O)Cn1cc(nn1)[*:1]
Cc1ccc(-c2nc(C/C([O-])=N/S(=O)(=O)c3cc(F)ccc3F)cs2)o1 Fc1ccc(F)c(c1)[*:1] Cc1ccc(o1)-c1nc(cs1)C/C([O-])=N/S(=O)(=O)[*:1]
Cc1ccc(-c2nc(C/C([O-])=N/S(=O)(=O)c3cc(F)ccc3F)cs2)o1 Cc1ccc(o1)[*:1] O=S(=O)(/N=C(\[O-])Cc1csc(n1)[*:1])c1cc(F)ccc1F
Cc1cccc([C@H](O)CN[C@@H](C)c2ccsc2)c1 c1cc(cs1)[*:1] Cc1cccc(c1)[C@H](O)CN[C@@H](C)[*:1]
c1ccc(-n2ccnc2)c(CNc2ncnc3c2CCCC3)c1 c1cn(cn1)[*:1] c1ccc(c(c1)CNc1ncnc2CCCCc21)[*:1]
O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccc3c(c2)OCCO3)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C1CS[C@@H](c2cccc(c2)NC(=O)[*:1])N1c1ccc2OCCOc2c1
O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccc3c(c2)OCCO3)c1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C1CS[C@@H](c2cccc(c2)[*:1])N1c1ccc2OCCOc2c1
O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccc3c(c2)OCCO3)c1)c1ccccc1 c1cc2OCCOc2cc1[*:1] O=C(Nc1cccc(c1)[C@@H]1SCC(=O)N1[*:1])c1ccccc1
OC[C@H](O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 Clc1ccc(cc1)[*:1] OC[C@H](O)Cn1c(C[*:1])nc2ccccc21
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 FC(F)(F)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1
[NH3+][C@@H](C[S@@](=O)c1cccc(F)c1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@@H](C[S@@](=O)c1cccc(F)c1)[*:1]
CCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(C)ccc21 Cc1cccc(c1)[*:1] CCn1cc(-c2nc(no2)[*:1])c(=O)c2cc(C)ccc21
CCCCSc1nnc(NC(=O)/C=C/c2cccc(Cl)c2)s1 CCCCS[*:1] O=C(/C=C/c1cccc(Cl)c1)Nc1nnc(s1)[*:1]
CCCCSc1nnc(NC(=O)/C=C/c2cccc(Cl)c2)s1 CCCC[*:1] O=C(/C=C/c1cccc(Cl)c1)Nc1nnc(S[*:1])s1
CCCCSc1nnc(NC(=O)/C=C/c2cccc(Cl)c2)s1 CCC[*:1] O=C(/C=C/c1cccc(Cl)c1)Nc1nnc(SC[*:1])s1
CCCCSc1nnc(NC(=O)/C=C/c2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] CCCCSc1nnc(NC(=O)C=C[*:1])s1
CCO[C@H](C)c1nc(CC(=O)N2CCC(O)(C(F)(F)F)CC2)cs1 FC(F)(F)[*:1] CCO[C@H](C)c1nc(cs1)CC(=O)N1CCC(O)(CC1)[*:1]
CCO[C@H](C)c1nc(CC(=O)N2CCC(O)(C(F)(F)F)CC2)cs1 CCO[C@H](C)[*:1] O=C(Cc1csc(n1)[*:1])N1CCC(O)(CC1)C(F)(F)F
CCO[C@H](C)c1nc(CC(=O)N2CCC(O)(C(F)(F)F)CC2)cs1 CCO[*:1] C[C@H](c1nc(cs1)CC(=O)N1CCC(O)(CC1)C(F)(F)F)[*:1]
C/C(Cl)=C\Cn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C Clc1ccccc1[*:1] C/C(Cl)=C\Cn1c(nc2c1c(=O)[nH]c(=O)n2C)SC[*:1]
C/C(Cl)=C\Cn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C Clc1ccccc1C[*:1] C/C(Cl)=C\Cn1c(nc2c1c(=O)[nH]c(=O)n2C)S[*:1]
C/C(Cl)=C\Cn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C C/C(Cl)=C\C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCc1ccccc1Cl)n2[*:1]
C/C(Cl)=C\Cn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C CC(Cl)=C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCc1ccccc1Cl)n2C[*:1]
CC[NH2+]Cc1cnn(-c2ccc(Cl)c(F)c2)c1C(F)(F)F FC(F)(F)[*:1] CC[NH2+]Cc1cnn(-c2ccc(Cl)c(F)c2)c1[*:1]
COCCNC(=O)N1CCC(c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 COCC[*:1] O=C(Nc1ccc2OCOc2c1)c1nnc(s1)C1CCN(CC1)C(=O)N[*:1]
COCCNC(=O)N1CCC(c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 COC[*:1] O=C(Nc1ccc2OCOc2c1)c1nnc(s1)C1CCN(CC1)C(=O)NC[*:1]
COCCNC(=O)N1CCC(c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 c1cc2OCOc2cc1[*:1] COCCNC(=O)N1CCC(CC1)c1nnc(s1)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1ccc(F)c(c1)S(=O)(=O)N1CCOCC1)[*:1]
Cc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(C(=O)Nc2ccc(F)c(c2)[*:1])c(C)c1
Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2 C1CN(CCO1)[*:1] Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(CC[*:1])c2CCCc12
Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2 C1CN(CCO1)C[*:1] Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(C[*:1])c2CCCc12
Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2 Cc1c(Cl)cccc1[*:1] O=C(CSc1nc(=O)n(CCN2CCOCC2)c2CCCc12)N[*:1]
Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2 C1CN(CCO1)CC[*:1] Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(c2CCCc12)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 CC(C)OC(=O)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1[*:1])c1cccc(F)c1
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 Fc1cccc(c1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)OC(C)C)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 CC(C)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)O[*:1])c1cccc(F)c1
C[C@H]1CCCN(C(=O)Nc2ccccc2N2CCCC2=O)C1 O=C1CCCN1[*:1] C[C@H]1CCCN(C1)C(=O)Nc1ccccc1[*:1]
COCC[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCC[C@H]([NH2+][C@H]1CCCc2c1cnn2C)[*:1]
COCC[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(Cl)cc1 COCC[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](c1ccc(Cl)cc1)[*:1]
COCC[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(Cl)cc1 COC[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](C[*:1])c1ccc(Cl)cc1
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@@H]3CC(=O)N(C)C3)c12 Fc1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)N[C@@H]3CC(=O)N(C)C3)c12)[*:1]
Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccc(Cl)cc1F
Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1S(=O)(=O)N(C)C Fc1cc(Cl)ccc1[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)[*:1]
CCN(CC)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)c1c(C)noc1C=C[*:1]
CCN(CC)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)CC1 CCN(CC)C(=O)[*:1] Cc1ccc(/C=C/c2onc(C)c2S(=O)(=O)N2CCC(CC2)[*:1])cc1
CCN(CC)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)CC1 Cc1ccc(C=C[*:1])cc1 CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)c1c(C)noc1[*:1]
CCN[C@H](c1cc(F)ccc1C)[C@](C)(CC)[NH+](C)C CCN[*:1] CC[C@@](C)([C@@H](c1cc(F)ccc1C)[*:1])[NH+](C)C
CC(C)(C)c1ccc(OCC(=O)NNC(=O)Nc2ccccc2)c(Br)c1 c1ccc(cc1)[*:1] CC(C)(C)c1ccc(OCC(=O)NNC(=O)N[*:1])c(Br)c1
CC(C)(C)c1ccc(OCC(=O)NNC(=O)Nc2ccccc2)c(Br)c1 CC(C)(C)[*:1] O=C(COc1ccc(cc1Br)[*:1])NNC(=O)Nc1ccccc1
Cc1nc2sc([C@@H](c3ccc(Br)cc3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 Brc1ccc(cc1)[*:1] Cc1nc2sc(c([O-])n2n1)[C@@H]([NH+]1C[C@@H](C)C[C@H](C)C1)[*:1]
Cc1nccn1-c1cccc([C@H]2CCCN(c3cnccn3)C2)n1 Cc1nccn1[*:1] c1cc(nc(c1)[*:1])[C@H]1CCCN(C1)c1cnccn1
Cc1nccn1-c1cccc([C@H]2CCCN(c3cnccn3)C2)n1 c1cnc(cn1)[*:1] Cc1nccn1-c1cccc(n1)[C@H]1CCCN(C1)[*:1]
COCCC(=O)NCCNC(=O)c1ccc(C)c(F)c1 COC[*:1] Cc1ccc(cc1F)C(=O)NCCNC(=O)C[*:1]
COCCC(=O)NCCNC(=O)c1ccc(C)c(F)c1 COCC[*:1] Cc1ccc(cc1F)C(=O)NCCNC(=O)[*:1]
COC[C@@](C)(NC(=O)[C@H](O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@](C)(NC(=O)[C@H](O)[*:1])c1ccccc1
COC[C@@](C)(NC(=O)[C@H](O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@](C)(NC(=O)[C@H](O)c1ccccc1)[*:1]
COC[C@@](C)(NC(=O)[C@H](O)c1ccccc1)c1ccccc1 COC[*:1] C[C@@](NC(=O)[C@H](O)c1ccccc1)(c1ccccc1)[*:1]
Cc1nc(S[C@H](C)C(=O)NC(N)=O)c(C#N)c(C)c1C NC(=O)NC(=O)[*:1] Cc1nc(S[C@H](C)[*:1])c(C#N)c(C)c1C
Nc1ncnc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ncnc(NCC[NH+]2CCCCC2)c1[*:1]
C[C@H](C(=O)N1CCCC1)N1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCCC1)N1CC[NH+](CCC(=O)N[*:1])CC1
C[C@H](C(=O)N1CCCC1)N1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 C[C@H](C(=O)N1CCCC1)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])Nc1ccc(F)cc1
C[C@H](C(=O)N1CCCC1)N1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 O=C(N1CCCC1)[*:1] C[C@H](N1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1)[*:1]
COCC(=O)Nc1ccc(N)cc1C COC[*:1] Cc1cc(N)ccc1NC(=O)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCC(=O)O2)cc1Cl CCN(CC)C(=O)[*:1] O=C1CC[C@@H](O1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
O=C(NCCN1C(=O)CCC1=O)Nc1ccc2[nH]ccc2c1 O=C1CCC(=O)N1[*:1] O=C(NCC[*:1])Nc1ccc2[nH]ccc2c1
C=C(C)COc1cccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1 C=C(C)C[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)O[*:1]
C=C(C)COc1cccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1 C=C(C)CO[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
C=C(C)COc1cccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1 C=C(C)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)OC[*:1]
CC(C)(C)OC(=O)N1CCC(C[NH+]2CCCC3(C2)OCCO3)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)C[NH+]1CCCC2(C1)OCCO2
CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)N1CCC[C@@H](C1)C(=O)N1CCOCC1)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 O=C(N1CCOCC1)[*:1] CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C1)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)N1CCC[C@@H](C1)C(=O)N1CCOCC1
O=Cc1cccc(OC[C@H]2CO2)c1 C1O[C@H]1[*:1] O=Cc1cccc(c1)OC[*:1]
O=Cc1cccc(OC[C@H]2CO2)c1 C1O[C@H]1C[*:1] O=Cc1cccc(c1)O[*:1]
COC(=O)c1cc(F)cc(-c2ccccc2C(=O)[O-])c1 COC(=O)[*:1] O=C([O-])c1ccccc1-c1cc(F)cc(c1)[*:1]
COC(=O)c1cc(F)cc(-c2ccccc2C(=O)[O-])c1 O=C([O-])[*:1] COC(=O)c1cc(F)cc(c1)-c1ccccc1[*:1]
CO[C@H](C)[C@](O)(C(=O)OC1=CCN2CC[C@H](O)[C@@H]12)C(C)C CC(C)[*:1] CO[C@H](C)[C@](O)(C(=O)OC1=CCN2CC[C@H](O)[C@@H]12)[*:1]
CO[C@H](C)[C@](O)(C(=O)OC1=CCN2CC[C@H](O)[C@@H]12)C(C)C CO[C@H](C)[*:1] CC(C)[C@](O)(C(=O)OC1=CCN2CC[C@H](O)[C@@H]12)[*:1]
CCNc1nnc(SCC(=O)NCc2sccc2C)s1 CCN[*:1] Cc1ccsc1CNC(=O)CSc1nnc(s1)[*:1]
CCNc1nnc(SCC(=O)NCc2sccc2C)s1 Cc1ccsc1[*:1] CCNc1nnc(SCC(=O)NC[*:1])s1
CC(C)[NH2+]Cc1cnc([C@H]2CSCCO2)s1 CC(C)[*:1] c1nc(sc1C[NH2+][*:1])[C@H]1CSCCO1
CC(C)[NH2+]Cc1cnc([C@H]2CSCCO2)s1 CC(C)[NH2+]C[*:1] c1nc(sc1[*:1])[C@H]1CSCCO1
O=C(NC[C@H](O)c1ccc2ccccc2c1)c1scnc1C1CC1 c1nc(c(s1)[*:1])C1CC1 O=C(NC[C@H](O)c1ccc2ccccc2c1)[*:1]
O=C(NC[C@H](O)c1ccc2ccccc2c1)c1scnc1C1CC1 C1CC1[*:1] O=C(NC[C@H](O)c1ccc2ccccc2c1)c1scnc1[*:1]
CC(C)[C@@H](C)NC(=O)c1ccc(CN2C(=O)CSc3ccccc32)cc1 CC(C)[*:1] C[C@@H](NC(=O)c1ccc(cc1)CN1C(=O)CSc2ccccc21)[*:1]
CC(C)[C@@H](C)NC(=O)c1ccc(CN2C(=O)CSc3ccccc32)cc1 CC(C)[C@@H](C)NC(=O)[*:1] O=C1CSc2ccccc2N1Cc1ccc(cc1)[*:1]
CCn1cnnc1[C@H]1CCCN(c2nc(N)c3ccccc3n2)C1 CCn1cnnc1[*:1] Nc1nc(nc2ccccc12)N1CCC[C@@H](C1)[*:1]
CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(OCC)cc1 CCO[*:1] CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(cc1)[*:1]
CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(OCC)cc1 CCC[*:1] CCOc1ccc(cc1)[C@@H]1NC2(CCCCC2)C(=O)N1[*:1]
CCCOCCNC(=O)c1c(C)noc1-c1cccs1 c1csc(c1)[*:1] CCCOCCNC(=O)c1c(C)noc1[*:1]
CCCOCCNC(=O)c1c(C)noc1-c1cccs1 CCCO[*:1] Cc1noc(-c2cccs2)c1C(=O)NCC[*:1]
CCCOCCNC(=O)c1c(C)noc1-c1cccs1 CCCOCC[*:1] Cc1noc(-c2cccs2)c1C(=O)N[*:1]
CCCOCCNC(=O)c1c(C)noc1-c1cccs1 CCC[*:1] Cc1noc(-c2cccs2)c1C(=O)NCCO[*:1]
CCCOCCNC(=O)c1c(C)noc1-c1cccs1 CCCOC[*:1] Cc1noc(-c2cccs2)c1C(=O)NC[*:1]
CC/[NH+]=C(/NCc1ccc(C)s1)NCC1(O)CCOCC1 OC1(CCOCC1)[*:1] CC/[NH+]=C(/NCc1ccc(C)s1)NC[*:1]
CC/[NH+]=C(/NCc1ccc(C)s1)NCC1(O)CCOCC1 Cc1ccc(C[*:1])s1 CC/[NH+]=C(\NCC1(O)CCOCC1)N[*:1]
CC/[NH+]=C(/NCc1ccc(C)s1)NCC1(O)CCOCC1 Cc1ccc(s1)[*:1] CC/[NH+]=C(\NCC1(O)CCOCC1)NC[*:1]
c1ccc(Cn2cc[nH+]c2[C@@H]2CCCN(c3ccc4ccccc4n3)C2)nc1 c1ccc(nc1)[*:1] c1ccc2nc(ccc2c1)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
c1ccc(Cn2cc[nH+]c2[C@@H]2CCCN(c3ccc4ccccc4n3)C2)nc1 c1ccc(C[*:1])nc1 c1ccc2nc(ccc2c1)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
COCCN1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)CC1 COCC[*:1] Fc1cccc(c1)-c1cc2nc3CCCCc3c(N3CCN(CC3)[*:1])n2n1
COCCN1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)CC1 COCCN1CCN(CC1)[*:1] Fc1cccc(c1)-c1cc2nc3CCCCc3c(n2n1)[*:1]
COCCN1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)CC1 COC[*:1] Fc1cccc(c1)-c1cc2nc3CCCCc3c(N3CCN(CC3)C[*:1])n2n1
COCCN1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)CC1 Fc1cccc(c1)[*:1] COCCN1CCN(CC1)c1c2CCCCc2nc2cc(nn12)[*:1]
COc1nc2c(cc1CNC(=O)c1cc(C)n[nH]1)C(=O)N(C1CCCC1)C2 Cc1cc([nH]n1)C(=O)N[*:1] COc1nc2CN(C(=O)c2cc1C[*:1])C1CCCC1
COc1nc2c(cc1CNC(=O)c1cc(C)n[nH]1)C(=O)N(C1CCCC1)C2 Cc1cc([nH]n1)[*:1] COc1nc2CN(C(=O)c2cc1CNC(=O)[*:1])C1CCCC1
COc1nc2c(cc1CNC(=O)c1cc(C)n[nH]1)C(=O)N(C1CCCC1)C2 C1CCC(C1)[*:1] COc1nc2CN(C(=O)c2cc1CNC(=O)c1cc(C)n[nH]1)[*:1]
Cc1nc(-c2cccc(NC(=O)N3CCCC3(C)C)c2)oc1C Cc1nc(oc1C)[*:1] CC1(C)CCCN1C(=O)Nc1cccc(c1)[*:1]
Cc1csc(CC(=O)N2CCN(C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)CC2)n1 c1ccc(cc1)C[*:1] Cc1csc(CC(=O)N2CCN(CC2)C(=O)c2nn(c(=O)c3ccccc23)[*:1])n1
Cc1csc(CC(=O)N2CCN(C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)CC2)n1 c1ccc(cc1)[*:1] Cc1csc(CC(=O)N2CCN(CC2)C(=O)c2nn(C[*:1])c(=O)c3ccccc23)n1
Cc1csc(CC(=O)N2CCN(C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)CC2)n1 Cc1csc(C[*:1])n1 O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(CC1)C(=O)[*:1]
Cc1csc(CC(=O)N2CCN(C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)CC2)n1 Cc1csc(n1)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccccc1F CC(C)(C)[*:1] C[C@H](Sc1nnc(-c2ccc(cc2)[*:1])n1N)C(=O)Nc1ccccc1F
C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@H](Sc1nnc(-c2ccc(cc2)C(C)(C)C)n1N)C(=O)N[*:1]
CCCCCn1cnc2sccc2c1=O CCCCC[*:1] O=c1c2ccsc2ncn1[*:1]
CCCCCn1cnc2sccc2c1=O CCCC[*:1] O=c1c2ccsc2ncn1C[*:1]
CCCCCn1cnc2sccc2c1=O CCC[*:1] O=c1c2ccsc2ncn1CC[*:1]
COC[C@@H]1CN(S(=O)(=O)c2csc3ccc(Cl)cc23)CCO1 COC[*:1] O=S(=O)(c1csc2ccc(Cl)cc12)N1CCO[C@@H](C1)[*:1]
COc1ccc(OC)c(NC(=O)C(=O)N[C@H](C)c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] COc1ccc(OC)c(c1)NC(=O)C(=O)N[C@H](C)[*:1]
CC1(C)CC(=O)C2=C(C1)N(Nc1cc(=O)[nH]nc1-c1ccccc1)C(=O)C[C@@H]2c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)N(Nc1cc(=O)[nH]nc1-c1ccccc1)C(=O)C[C@H]2[*:1]
CC1(C)CC(=O)C2=C(C1)N(Nc1cc(=O)[nH]nc1-c1ccccc1)C(=O)C[C@@H]2c1ccc(F)cc1 c1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)N(Nc1cc(=O)[nH]nc1[*:1])C(=O)C[C@@H]2c1ccc(F)cc1
CCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O c1cncc(c1)[*:1] CCN1CCN(C[C@@H](Cc2ccc(cc2)[*:1])C1=O)C(=O)c1cc(n[nH]1)C(C)C
CCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O CC(C)[*:1] CCN1CCN(C[C@@H](Cc2ccc(cc2)-c2cccnc2)C1=O)C(=O)c1cc(n[nH]1)[*:1]
CCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O CC(C)c1cc([nH]n1)[*:1] CCN1CCN(C[C@@H](Cc2ccc(cc2)-c2cccnc2)C1=O)C(=O)[*:1]
CC[NH+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)S(=O)(=O)c1ccc(C)c(c1)[*:1]
Cc1cccc(N2CC[NH+](CCCCNC(=O)C3CCC3)CC2)c1 O=C(N[*:1])C1CCC1 Cc1cccc(c1)N1CC[NH+](CCCC[*:1])CC1
Cc1cccc(N2CC[NH+](CCCCNC(=O)C3CCC3)CC2)c1 O=C(NC[*:1])C1CCC1 Cc1cccc(c1)N1CC[NH+](CCC[*:1])CC1
Cc1cccc(N2CC[NH+](CCCCNC(=O)C3CCC3)CC2)c1 C1CC(C1)[*:1] Cc1cccc(c1)N1CC[NH+](CCCCNC(=O)[*:1])CC1
Cc1cccc(N2CC[NH+](CCCCNC(=O)C3CCC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCCCC[NH+]1CCN(CC1)[*:1])C1CCC1
COc1cccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 COc1cccc(c1)[*:1] O=C(N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
COc1cccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N1CCC(CC1)OC[*:1]
COc1cccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)C[*:1] COc1cccc(c1)C(=O)N1CCC(CC1)O[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCc1cccc(N)n1 CC(C)[*:1] C[C@H]1CC[C@H]([C@@H](C1)OCc1cccc(N)n1)[*:1]
Cc1c(C(=O)N(Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)oc2ccc(Cl)cc12 Brc1cccc(c1)C[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1c(C(=O)N(Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)oc2ccc(Cl)cc12 Brc1cccc(c1)[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(COc1ccc(F)cc1F)N[C@@H](CO)Cc1c[nH]c2ccccc12 Fc1ccc(c(F)c1)[*:1] O=C(CO[*:1])N[C@@H](CO)Cc1c[nH]c2ccccc12
Cc1ccc(C)c(-n2nnnc2SCC(=O)N2CCCC[C@H]2C)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnnn1[*:1]
[O-]c1cnnc(Nc2ccc(OCc3ccccc3)cc2)n1 c1ccc(cc1)[*:1] [O-]c1cnnc(n1)Nc1ccc(cc1)OC[*:1]
[O-]c1cnnc(Nc2ccc(OCc3ccccc3)cc2)n1 c1ccc(cc1)C[*:1] [O-]c1cnnc(n1)Nc1ccc(cc1)O[*:1]
Cc1nc(NC(=O)c2ccc(Br)cc2)sc1C(C)(C)C CC(C)(C)[*:1] Cc1nc(NC(=O)c2ccc(Br)cc2)sc1[*:1]
Cc1nn(CC(=O)NCc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)C[*:1] Cc1nn(CC(=O)N[*:1])c(=O)c2ccccc12
Cc1nn(CC(=O)NCc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] Cc1nn(CC(=O)NC[*:1])c(=O)c2ccccc12
CNC(=O)c1ccccc1OS(=O)(=O)/C=C/c1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(/C=C/S(=O)(=O)Oc2ccccc2[*:1])cc1
CNC(=O)c1ccccc1OS(=O)(=O)/C=C/c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNC(=O)c1ccccc1OS(=O)(=O)C=C[*:1]
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(Cc1cnn(C)c1C)CC2 c1cc(cs1)C[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N[*:1])Cc1cnn(C)c1C
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(Cc1cnn(C)c1C)CC2 c1cc(cs1)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)NC[*:1])Cc1cnn(C)c1C
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(Cc1cnn(C)c1C)CC2 Cc1c(cnn1C)C[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)NCc1ccsc1)[*:1]
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(Cc1cnn(C)c1C)CC2 O=C(NCc1ccsc1)[*:1] COc1cc(=O)n2CCN(CCc2c1[*:1])Cc1cnn(C)c1C
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(Cc1cnn(C)c1C)CC2 Cc1c(cnn1C)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)NCc1ccsc1)C[*:1]
COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(C)cc2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCN1C(=O)C(O)=C(C(C)=O)[C@H]1[*:1]
COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(C)cc2)cc1OC CC(=O)[*:1] COc1ccc(cc1OC)CCN1C(=O)C(O)=C([C@@H]1c1ccc(C)cc1)[*:1]
CCN(Cc1[nH+]cc(C)c(OC)c1C)CC(C)(C)C[NH3+] CC(C)(C[NH3+])[*:1] CCN(Cc1[nH+]cc(C)c(OC)c1C)C[*:1]
CCN(Cc1[nH+]cc(C)c(OC)c1C)CC(C)(C)C[NH3+] CC(C)(C[NH3+])C[*:1] CCN(Cc1[nH+]cc(C)c(OC)c1C)[*:1]
COc1cc(OC)c(/N=C/c2cccs2)cc1Cl c1csc(c1)[*:1] COc1cc(OC)c(cc1Cl)N=C[*:1]
CC[C@H](C)n1ncc(C(=O)NCc2ccc(C)s2)c1C1CC1 Cc1ccc(s1)[*:1] CC[C@H](C)n1ncc(C(=O)NC[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)NCc2ccc(C)s2)c1C1CC1 Cc1ccc(C[*:1])s1 CC[C@H](C)n1ncc(C(=O)N[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)NCc2ccc(C)s2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)NCc2ccc(C)s2)c1[*:1]
CC[C@H](C)n1ncc(C(=O)NCc2ccc(C)s2)c1C1CC1 CC[C@H](C)[*:1] Cc1ccc(CNC(=O)c2cnn(c2C2CC2)[*:1])s1
Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)c2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)c1ccc(cc1)NC(=O)c1ccco1)S(=O)(=O)N[*:1]
Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)c2)c1 c1coc(c1)[*:1] Cc1cccc(c1)NS(=O)(=O)c1ccc(C)c(c1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)c2)c1 Cc1cccc(c1)NS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)c1ccc(cc1)NC(=O)c1ccco1)[*:1]
Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)c2)c1 O=C(N[*:1])c1ccco1 Cc1cccc(c1)NS(=O)(=O)c1ccc(C)c(c1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)[C@@H](C)SC(C)C)c(Br)c1 CC(C)S[*:1] Cc1ccc(NC(=O)[C@@H](C)[*:1])c(Br)c1
Cc1ccc(NC(=O)[C@@H](C)SC(C)C)c(Br)c1 CC(C)[*:1] Cc1ccc(NC(=O)[C@@H](C)S[*:1])c(Br)c1
CNC(=O)[C@@H](C)CN(C)C(=O)CCSc1ccccc1F CNC(=O)[C@@H](C)C[*:1] CN(C(=O)CCSc1ccccc1F)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)CCSc1ccccc1F CNC(=O)[*:1] C[C@@H](CN(C)C(=O)CCSc1ccccc1F)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)CCSc1ccccc1F CNC(=O)[C@@H](C)[*:1] CN(C[*:1])C(=O)CCSc1ccccc1F
CNC(=O)[C@@H](C)CN(C)C(=O)CCSc1ccccc1F Fc1ccccc1[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)CCS[*:1]
CSCC(=O)NNC(=S)Nc1cccc(Cl)c1 CSC[*:1] O=C(NNC(=S)Nc1cccc(Cl)c1)[*:1]
Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)ccc1[N+](=O)[O-] C1CCC(CC1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N[C@H](C#N)[*:1]
Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)N[C@H](C#N)C1CCCCC1
CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNS(=O)(=O)c1ccc2NC(=O)CCc2c1)[*:1]
CCOc1cc(Nc2ccn(C)n2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1cc(ccc1[*:1])Nc1ccn(C)n1
CCOc1cc(Nc2ccn(C)n2)ccc1[N+](=O)[O-] Cn1ccc(n1)[*:1] CCOc1cc(ccc1[N+](=O)[O-])N[*:1]
CCOc1cc(Nc2ccn(C)n2)ccc1[N+](=O)[O-] CCO[*:1] Cn1ccc(n1)Nc1ccc(c(c1)[*:1])[N+](=O)[O-]
CN1CCO[C@H](C[NH2+]C[C@H](O)CO)C1 OC[C@@H](O)[*:1] CN1CCO[C@H](C[NH2+]C[*:1])C1
CS(=O)(=O)NC1CCC([NH2+]Cc2cccc3cn[nH]c23)CC1 CS(=O)(=O)N[*:1] c1cc(C[NH2+]C2CCC(CC2)[*:1])c2[nH]ncc2c1
O=C(Nc1sccc1C(=O)NC1CC1)c1ccsc1 O=C(NC1CC1)[*:1] O=C(Nc1sccc1[*:1])c1ccsc1
O=C(Nc1sccc1C(=O)NC1CC1)c1ccsc1 C1CC1[*:1] O=C(Nc1sccc1C(=O)N[*:1])c1ccsc1
O=C(Nc1sccc1C(=O)NC1CC1)c1ccsc1 c1cc(cs1)[*:1] O=C(NC1CC1)c1ccsc1NC(=O)[*:1]
CC[C@@H]1COCCN1Cc1ccccc1OCc1cccnc1 c1cncc(c1)[*:1] CC[C@@H]1COCCN1Cc1ccccc1OC[*:1]
CC[C@@H]1COCCN1Cc1ccccc1OCc1cccnc1 c1cncc(c1)C[*:1] CC[C@@H]1COCCN1Cc1ccccc1O[*:1]
CCc1nc(C[NH2+][C@H](c2ccccn2)C2CCCC2)cs1 C1CCC(C1)[*:1] CCc1nc(cs1)C[NH2+][C@H](c1ccccn1)[*:1]
CCc1nc(C[NH2+][C@H](c2ccccn2)C2CCCC2)cs1 CCc1nc(cs1)[*:1] c1ccc(nc1)[C@@H]([NH2+]C[*:1])C1CCCC1
CCc1nc(C[NH2+][C@H](c2ccccn2)C2CCCC2)cs1 c1ccc(nc1)[*:1] CCc1nc(cs1)C[NH2+][C@H](C1CCCC1)[*:1]
COc1ccc(N2C(=O)C[C@H]([C@@H]3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1 COc1ccc(cc1)[*:1] CC1=NN(C(=O)[C@H]1[C@H]1CC(=O)N(C1=O)[*:1])c1ccccc1
COc1ccc(N2C(=O)C[C@H]([C@@H]3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C[C@@H](C1=O)[C@@H]1C(=O)N(N=C1C)[*:1]
Cc1cc(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)no1 Cc1cc(no1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)N[*:1]
Cc1cc(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)no1 CC(C)(C)[*:1] Cc1cc(no1)NC(=O)NC1CCN(CC1)C(=O)O[*:1]
CCOc1ncccc1C(=O)O[C@@H]1CCC[C@H](C(F)(F)F)C1 CCO[*:1] O=C(O[C@@H]1CCC[C@@H](C1)C(F)(F)F)c1cccnc1[*:1]
CCOc1ncccc1C(=O)O[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CCOc1ncccc1C(=O)O[C@@H]1CCC[C@H](C1)[*:1]
CCn1c(SCC(=O)Nc2cccc3cn[nH]c23)nnc1-c1cccc(C)c1 Cc1cccc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cccc2cn[nH]c12
CCn1c(SCC(=O)Nc2cccc3cn[nH]c23)nnc1-c1cccc(C)c1 c1cc(c2[nH]ncc2c1)[*:1] CCn1c(nnc1-c1cccc(C)c1)SCC(=O)N[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)N(Cc2ccoc2)C2CCCCC2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNC(=O)N(Cc1ccoc1)C1CCCCC1)C[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)N(Cc2ccoc2)C2CCCCC2)n1 c1cc(co1)[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)N(C[*:1])C2CCCCC2)n1
Cc1cc(C)n(C[C@H](C)CNC(=O)N(Cc2ccoc2)C2CCCCC2)n1 c1cc(co1)C[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)N(C2CCCCC2)[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)N(Cc2ccoc2)C2CCCCC2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](CNC(=O)N(Cc1ccoc1)C1CCCCC1)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)N(Cc2ccoc2)C2CCCCC2)n1 C1CCC(CC1)[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)N(Cc2ccoc2)[*:1])n1
Cc1n[nH]c(C(=O)N[C@H](C)CN2CCOCC2)n1 Cc1n[nH]c(n1)[*:1] C[C@H](CN1CCOCC1)NC(=O)[*:1]
Cc1n[nH]c(C(=O)N[C@H](C)CN2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1n[nH]c(n1)C(=O)N[C@H](C)C[*:1]
Cc1csc(N2CCCN(/C(=C/C#N)c3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] Cc1csc(n1)N1CCCN(CC1)/C(=C/C#N)[*:1]
Cc1csc(N2CCCN(/C(=C/C#N)c3ccc(F)cc3)CC2)n1 Cc1csc(n1)[*:1] N#C/C=C(\c1ccc(F)cc1)N1CCCN(CC1)[*:1]
CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@@H](O)CC(=O)[O-] CC(C)(C)[*:1] O=C([O-])C[C@H](O)[C@H](NC(=O)O[*:1])c1ccccc1
CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@@H](O)CC(=O)[O-] c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N[C@H]([C@@H](O)CC(=O)[O-])[*:1]
CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@@H](O)CC(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@@H](O)C[*:1]
CCCn1c(=O)oc2cc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)ccc21 CCC[*:1] Cn1c(=O)n(C)c2cc(ccc21)S(=O)(=O)Nc1ccc2c(c1)oc(=O)n2[*:1]
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(C)n(C)n1 CCO[*:1] Cc1cc(nn1C)C(=O)Oc1c(Cl)cc(C#N)cc1[*:1]
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(C)n(C)n1 Cc1cc(nn1C)[*:1] CCOc1cc(C#N)cc(Cl)c1OC(=O)[*:1]
Cn1cnnc1SCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 Cn1cnnc1[*:1] O=C(CS[*:1])N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1
Cn1cnnc1SCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1cnnc1SCC(=O)N1CC[NH+](CC1)C(c1ccccc1)[*:1]
Cn1cnnc1SCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 Cn1cnnc1SC[*:1] O=C(N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1)[*:1]
Cn1cnnc1SCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 Cn1cnnc1S[*:1] O=C(C[*:1])N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(F)cc1Cl CC(C)NC(=O)[*:1] O=C(Nc1ccc(F)cc1Cl)c1ccccc1SC[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(F)cc1Cl CC(C)NC(=O)CS[*:1] O=C(Nc1ccc(F)cc1Cl)c1ccccc1[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] CC(C)NC(=O)CSc1ccccc1C(=O)N[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(F)cc1Cl CC(C)[*:1] O=C(CSc1ccccc1C(=O)Nc1ccc(F)cc1Cl)N[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(F)cc1Cl CC(C)NC(=O)C[*:1] O=C(Nc1ccc(F)cc1Cl)c1ccccc1S[*:1]
COc1ccc(Oc2cc(CNC(=O)CC(C)C)ccn2)cc1 CC(C)[*:1] COc1ccc(cc1)Oc1cc(ccn1)CNC(=O)C[*:1]
COc1ccc(Oc2cc(CNC(=O)CC(C)C)ccn2)cc1 CC(C)CC(=O)N[*:1] COc1ccc(cc1)Oc1cc(ccn1)C[*:1]
COc1ccc(Oc2cc(CNC(=O)CC(C)C)ccn2)cc1 CC(C)C[*:1] COc1ccc(cc1)Oc1cc(ccn1)CNC(=O)[*:1]
COC1CCN(CC[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 Clc1ccc(cc1)[*:1] COC1CCN(CC[NH2+]Cc2c(C)nn(c2C)[*:1])CC1
COC1CCN(CC[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 COC1CCN(CC1)[*:1] Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC[*:1]
Cc1cnn(CC/C([O-])=N/S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 O=[N+]([O-])[*:1] Cc1cnn(c1)CC/C([O-])=N/S(=O)(=O)c1cc(ccc1Br)[*:1]
Cc1cnn(CC/C([O-])=N/S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 Cc1cnn(c1)CC[*:1] O=[N+]([O-])c1ccc(Br)c(c1)S(=O)(=O)/N=C(\[O-])[*:1]
Cc1cnn(CC/C([O-])=N/S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 Cc1cnn(c1)C[*:1] O=[N+]([O-])c1ccc(Br)c(c1)S(=O)(=O)/N=C(\[O-])C[*:1]
Cc1cnn(CC/C([O-])=N/S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 Cc1cnn(c1)[*:1] O=[N+]([O-])c1ccc(Br)c(c1)S(=O)(=O)/N=C(\[O-])CC[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cccc(COC(C)C)c1 Cc1n[nH]c(C)c1C[*:1] CC(C)OCc1cccc(c1)NC(=O)[C@@H](C)[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cccc(COC(C)C)c1 CC(C)OC[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cccc(COC(C)C)c1 Cc1n[nH]c(C)c1[*:1] CC(C)OCc1cccc(c1)NC(=O)[C@@H](C)C[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cccc(COC(C)C)c1 CC(C)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cccc(c1)CO[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cccc(COC(C)C)c1 CC(C)O[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cccc(c1)C[*:1]
C[C@H](S[C@@H](C)[C@@H](C)O)C(=O)Nc1ccc(Cl)c(Cl)c1 C[C@@H](O)[*:1] C[C@H](S[C@@H](C)[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
c1cc2ncc(C[NH+]3CCC(C4CCOCC4)CC3)cc2s1 C1CC(CCO1)[*:1] c1cc2ncc(cc2s1)C[NH+]1CCC(CC1)[*:1]
CCCCC(=O)Nc1ccc2nn(-c3ccc(OCC)cc3)nc2c1 CCC[*:1] CCOc1ccc(cc1)-n1nc2ccc(cc2n1)NC(=O)C[*:1]
CCCCC(=O)Nc1ccc2nn(-c3ccc(OCC)cc3)nc2c1 CCCCC(=O)N[*:1] CCOc1ccc(cc1)-n1nc2ccc(cc2n1)[*:1]
CCCCC(=O)Nc1ccc2nn(-c3ccc(OCC)cc3)nc2c1 CCCC[*:1] CCOc1ccc(cc1)-n1nc2ccc(cc2n1)NC(=O)[*:1]
CCCCC(=O)Nc1ccc2nn(-c3ccc(OCC)cc3)nc2c1 CCO[*:1] CCCCC(=O)Nc1ccc2nn(nc2c1)-c1ccc(cc1)[*:1]
CC(C)(C)C(=O)NCCNC(=O)c1cnccn1 c1cnc(cn1)[*:1] CC(C)(C)C(=O)NCCNC(=O)[*:1]
CC(C)(C)C(=O)NCCNC(=O)c1cnccn1 CC(C)(C)[*:1] O=C(NCCNC(=O)[*:1])c1cnccn1
COc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)CN(C)C(=O)c1cccc(c1)[*:1]
CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)Cc4ccccc4C)o3)CC2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1ccccc1CC(=O)Nc1nnc(o1)[C@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)Cc4ccccc4C)o3)CC2=O)cc1 Cc1ccccc1C[*:1] CCOc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)[*:1])o1
CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)Cc4ccccc4C)o3)CC2=O)cc1 CCO[*:1] Cc1ccccc1CC(=O)Nc1nnc(o1)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)Cc4ccccc4C)o3)CC2=O)cc1 Cc1ccccc1[*:1] CCOc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)C[*:1])o1
CCCc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2O)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1O)[*:1]
COc1cc(S(=O)(=O)NC(C)C)ccc1Br CC(C)[*:1] COc1cc(ccc1Br)S(=O)(=O)N[*:1]
COC(=O)C[C@@H](C)Sc1cc(C#N)c2cc(Cl)ccc2n1 COC(=O)C[C@@H](C)[*:1] N#Cc1cc(nc2ccc(Cl)cc12)S[*:1]
COC(=O)C[C@@H](C)Sc1cc(C#N)c2cc(Cl)ccc2n1 COC(=O)C[*:1] C[C@@H](Sc1cc(C#N)c2cc(Cl)ccc2n1)[*:1]
COC(=O)C[C@@H](C)Sc1cc(C#N)c2cc(Cl)ccc2n1 COC(=O)[*:1] C[C@H](C[*:1])Sc1cc(C#N)c2cc(Cl)ccc2n1
CN(C)[C@H](C(=O)N1C[C@H]2[C@H]3CC[C@H](O3)[C@H]2C1)c1ccc2c(c1)OCO2 CN(C)[*:1] O=C([C@H](c1ccc2OCOc2c1)[*:1])N1C[C@H]2[C@H]3CC[C@H](O3)[C@H]2C1
O=C(C[C@H](c1ccccc1)c1ccco1)N1CCC(c2[nH]cc[nH+]2)CC1 c1ccc(cc1)[*:1] O=C(C[C@H](c1ccco1)[*:1])N1CCC(CC1)c1[nH]cc[nH+]1
O=C(C[C@H](c1ccccc1)c1ccco1)N1CCC(c2[nH]cc[nH+]2)CC1 c1coc(c1)[*:1] O=C(C[C@H](c1ccccc1)[*:1])N1CCC(CC1)c1[nH]cc[nH+]1
CCCn1c(=O)c2ccccc2n2c(=O)n(CC(=O)Nc3ccc(C)cc3C)nc12 CCC[*:1] Cc1ccc(NC(=O)Cn2nc3n(c(=O)c4ccccc4n3c2=O)[*:1])c(C)c1
CCCn1c(=O)c2ccccc2n2c(=O)n(CC(=O)Nc3ccc(C)cc3C)nc12 Cc1ccc(c(C)c1)[*:1] CCCn1c(=O)c2ccccc2n2c(=O)n(CC(=O)N[*:1])nc12
Cc1cccc(OC[C@H](O)C[NH2+]Cc2cccc(C#N)c2)c1 Cc1cccc(c1)[*:1] N#Cc1cccc(c1)C[NH2+]C[C@@H](O)CO[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)[C@H]1CC=CC[C@H]1C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 CC(=O)[*:1] O=C(Nc1ccc(Cl)cc1)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
Cc1nc2n(n1)[C@@H](c1ccc3c(c1)OCCO3)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 c1cc2OCCOc2cc1[*:1] Cc1nc2NC3C[C@H](CC(=O)C=3[C@H](n2n1)[*:1])c1ccc(Cl)cc1
Cc1nc2n(n1)[C@@H](c1ccc3c(c1)OCCO3)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 Clc1ccc(cc1)[*:1] Cc1nc2NC3C[C@@H](CC(=O)C=3[C@H](c3ccc4OCCOc4c3)n2n1)[*:1]
O=C1CCc2cc(S(=O)(=O)Oc3cccc(C(F)(F)F)c3)ccc2N1 FC(F)(F)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)Oc1cccc(c1)[*:1]
CC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(CC(N)=O)nc12 CC(C)NC(=O)C[*:1] NC(=O)Cn1nc2n(C[*:1])c(=O)c3ccccc3n2c1=O
CC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(CC(N)=O)nc12 CC(C)NC(=O)[*:1] NC(=O)Cn1nc2n(CC[*:1])c(=O)c3ccccc3n2c1=O
CC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(CC(N)=O)nc12 NC(=O)[*:1] CC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(C[*:1])nc12
CC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(CC(N)=O)nc12 NC(=O)C[*:1] CC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(nc12)[*:1]
CC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(CC(N)=O)nc12 CC(C)NC(=O)CC[*:1] NC(=O)Cn1nc2n(c(=O)c3ccccc3n2c1=O)[*:1]
CC(C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(CC(N)=O)nc12 CC(C)[*:1] NC(=O)Cn1nc2n(CCC(=O)N[*:1])c(=O)c3ccccc3n2c1=O
Cc1c(C2CC2)n[nH]c1NC(=O)c1cc(C#N)cn1C C1CC1[*:1] Cc1c(n[nH]c1NC(=O)c1cc(C#N)cn1C)[*:1]
C[C@@H](SC1=NC=NC2=NC=N[C@@H]21)C(=O)NCCCc1ccccc1 c1ccc(cc1)CC[*:1] C[C@@H](SC1=NC=NC2=NC=N[C@@H]21)C(=O)NC[*:1]
C[C@@H](SC1=NC=NC2=NC=N[C@@H]21)C(=O)NCCCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](SC1=NC=NC2=NC=N[C@@H]21)C(=O)NCCC[*:1]
C[C@@H](SC1=NC=NC2=NC=N[C@@H]21)C(=O)NCCCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](SC1=NC=NC2=NC=N[C@@H]21)C(=O)NCC[*:1]
C=C(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O C=C(C)[*:1] Cc1c(Cl)cc(NC(=O)[*:1])c(O)c1Cl
C[C@H](SC1CCCC1)c1nc(-c2cccs2)no1 C1CCC(C1)[*:1] C[C@H](S[*:1])c1nc(no1)-c1cccs1
C[C@H](SC1CCCC1)c1nc(-c2cccs2)no1 C1CCC(C1)S[*:1] C[C@H](c1nc(no1)-c1cccs1)[*:1]
C[C@H](SC1CCCC1)c1nc(-c2cccs2)no1 c1csc(c1)[*:1] C[C@H](SC1CCCC1)c1nc(no1)[*:1]
CC(C)[C@@H](S[C@@H](C)c1cccs1)C(=O)NC(C)(C)C CC(C)[*:1] C[C@H](S[C@@H](C(=O)NC(C)(C)C)[*:1])c1cccs1
CC(C)[C@@H](S[C@@H](C)c1cccs1)C(=O)NC(C)(C)C CC(C)(C)[*:1] CC(C)[C@@H](S[C@@H](C)c1cccs1)C(=O)N[*:1]
CC(C)[C@@H](S[C@@H](C)c1cccs1)C(=O)NC(C)(C)C c1csc(c1)[*:1] CC(C)[C@@H](S[C@@H](C)[*:1])C(=O)NC(C)(C)C
C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(n1)[*:1])c1ccc(Cl)cc1
C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 O=C(NC1CCCC1)[*:1] C[C@H](N(C(=O)Cn1nnc(n1)-c1ccc(F)cc1)c1ccc(Cl)cc1)[*:1]
C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 C1CCC(C1)[*:1] C[C@H](C(=O)N[*:1])N(C(=O)Cn1nnc(n1)-c1ccc(F)cc1)c1ccc(Cl)cc1
C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(n1)-c1ccc(F)cc1)[*:1]
O=C(CC[S@](=O)Cc1ccc(Cl)cc1)N1CCc2ccccc21 Clc1ccc(cc1)[*:1] O=C(CC[S@](=O)C[*:1])N1CCc2ccccc21
O=C1CSc2ccc(C(=O)Nc3cccc(I)c3)cc2N1 Ic1cccc(c1)[*:1] O=C1CSc2ccc(cc2N1)C(=O)N[*:1]
COC(=O)c1cccc2c(CCC(C)=O)c[nH]c12 CC(=O)[*:1] COC(=O)c1cccc2c(c[nH]c12)CC[*:1]
COC(=O)c1cccc2c(CCC(C)=O)c[nH]c12 COC(=O)[*:1] CC(=O)CCc1c[nH]c2c(cccc12)[*:1]
COC(=O)c1cccc2c(CCC(C)=O)c[nH]c12 CC(=O)CC[*:1] COC(=O)c1cccc2c(c[nH]c12)[*:1]
COC(=O)c1cccc2c(CCC(C)=O)c[nH]c12 CC(=O)C[*:1] COC(=O)c1cccc2c(c[nH]c12)C[*:1]
CCCn1cc(NC(=O)COc2ccccc2C)cn1 CCC[*:1] Cc1ccccc1OCC(=O)Nc1cnn(c1)[*:1]
CCOC(=O)N[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 CCOC(=O)N[*:1] CC[NH+](CC)CC(=O)N1CCC[C@H](C1)[*:1]
COCCNC(=O)c1cn(-c2cccc(Cl)c2)nn1 COCC[*:1] O=C(N[*:1])c1cn(nn1)-c1cccc(Cl)c1
COCCNC(=O)c1cn(-c2cccc(Cl)c2)nn1 COC[*:1] O=C(NC[*:1])c1cn(nn1)-c1cccc(Cl)c1
[NH3+]Cc1nnc(S[C@H]2CCO[C@@]3(CCSC3)C2)n1C1CC1 C1CC1[*:1] [NH3+]Cc1nnc(S[C@H]2CCO[C@@]3(CCSC3)C2)n1[*:1]
Nc1ccc(NC(=O)C[C@H]2CCCCO2)c(Cl)c1 C1CC[C@@H](OC1)[*:1] Nc1ccc(NC(=O)C[*:1])c(Cl)c1
C[C@@H]1C[C@@H](Nc2cc(S(N)(=O)=O)ccc2Cl)CS1 NS(=O)(=O)[*:1] C[C@@H]1C[C@H](CS1)Nc1cc(ccc1Cl)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CNc1ccccc1-n1cccn1 c1cnn(c1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)CNc1ccccc1[*:1]
CN(C)C(=O)c1ccc(NCc2ccnn2C)nn1 CN(C)C(=O)[*:1] Cn1nccc1CNc1ccc(nn1)[*:1]
CN(C)C(=O)c1ccc(NCc2ccnn2C)nn1 Cn1nccc1[*:1] CN(C)C(=O)c1ccc(nn1)NC[*:1]
C[C@@H](OC(=O)c1cccc(-n2cccc2)c1)[C@H]1CCOC1 c1ccn(c1)[*:1] C[C@@H](OC(=O)c1cccc(c1)[*:1])[C@H]1CCOC1
CC(C)(C)CC(=O)N1CCN(Cc2cccs2)CC1 CC(C)(C)C[*:1] O=C(N1CCN(CC1)Cc1cccs1)[*:1]
CC(C)(C)CC(=O)N1CCN(Cc2cccs2)CC1 CC(C)(C)[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cccs1
CC(C)(C)CC(=O)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] CC(C)(C)CC(=O)N1CCN(CC1)C[*:1]
CC(C)(C)CC(=O)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] CC(C)(C)CC(=O)N1CCN(CC1)[*:1]
CON1C(=O)CN(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] CON1C(=O)CN(C(=O)c2ccccc2)[C@H]1[*:1]
CON1C(=O)CN(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] CON1C(=O)CN(C(=O)[*:1])[C@@H]1c1ccc(Cl)cc1Cl
COC(=O)Cn1ncc2c(NC[C@@H](C)C#N)ncnc21 COC(=O)[*:1] C[C@@H](C#N)CNc1ncnc2c1cnn2C[*:1]
COC(=O)Cn1ncc2c(NC[C@@H](C)C#N)ncnc21 COC(=O)C[*:1] C[C@@H](C#N)CNc1ncnc2c1cnn2[*:1]
COC(=O)Cn1ncc2c(NC[C@@H](C)C#N)ncnc21 C[C@@H](C#N)CN[*:1] COC(=O)Cn1ncc2c(ncnc21)[*:1]
CCOC(=O)c1cccc(NC(=O)Cn2cc3c(n2)CCCC3)c1 CCOC(=O)[*:1] O=C(Cn1cc2CCCCc2n1)Nc1cccc(c1)[*:1]
c1cncc(-c2ccn3c(n2)nc2ccccc23)c1 c1cncc(c1)[*:1] c1ccc2c(c1)nc1nc(ccn12)[*:1]
C/C=C/c1ccc(OCC(=O)N[C@@H](C)c2cccc(Cl)c2)c(OC)c1 Clc1cccc(c1)[*:1] C/C=C/c1ccc(OCC(=O)N[C@@H](C)[*:1])c(c1)OC
C/C=C/c1ccc(OCC(=O)N[C@@H](C)c2cccc(Cl)c2)c(OC)c1 CC=C[*:1] COc1cc(ccc1OCC(=O)N[C@@H](C)c1cccc(Cl)c1)[*:1]
C=CCC(=O)C(C)(C)[NH+]1CCCCCC1 C=CC[*:1] CC(C)(C(=O)[*:1])[NH+]1CCCCCC1
C=CCC(=O)C(C)(C)[NH+]1CCCCCC1 C=CCC(=O)[*:1] CC(C)([NH+]1CCCCCC1)[*:1]
CC(C)(C)c1ccc(N2CCC(NC(=O)N[C@H]3CCC[C@@H]3CO)CC2)cc1 CC(C)(C)[*:1] O=C(NC1CCN(CC1)c1ccc(cc1)[*:1])N[C@H]1CCC[C@@H]1CO
CC(C)[C@H](NC(=O)c1cc2cnsc2s1)C(=O)N1CCCCC1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCCCC1)[*:1])c1cc2cnsc2s1
Cc1ccc(CSCCNC(=O)c2ccc(F)nc2)cc1 Fc1ccc(cn1)[*:1] Cc1ccc(cc1)CSCCNC(=O)[*:1]
Cc1ccc(CSCCNC(=O)c2ccc(F)nc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCSC[*:1])c1ccc(F)nc1
CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1cnn(Cc2ccccc2)c1 CCS(=O)(=O)C[*:1] C[C@H](N(C)C(=O)Nc1cnn(c1)Cc1ccccc1)[*:1]
CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1cnn(c1)C[*:1]
CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1cnn(Cc2ccccc2)c1 CCS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C)C(=O)Nc1cnn(c1)Cc1ccccc1
CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1cnn(c1)[*:1]
CC[C@@H](C)CN(CC)c1nc2c(s1)[C@H]([NH2+]C)CC(C)(C)C2 CC[C@@H](C)[*:1] CCN(C[*:1])c1nc2CC(C)(C)C[C@@H]([NH2+]C)c2s1
CC[C@@H](C)CN(CC)c1nc2c(s1)[C@H]([NH2+]C)CC(C)(C)C2 CC[C@@H](C)C[*:1] CCN(c1nc2CC(C)(C)C[C@@H]([NH2+]C)c2s1)[*:1]
Cc1nn2ccccc2c1C(=O)N1CC[C@H](NC(=O)NC2CCCCC2)C1 C1CCC(CC1)[*:1] Cc1nn2ccccc2c1C(=O)N1CC[C@@H](C1)NC(=O)N[*:1]
COC(=O)c1cn(C)c(-c2ccc(N)cc2)c1C(=O)OC COC(=O)[*:1] COC(=O)c1c(cn(C)c1-c1ccc(N)cc1)[*:1]
COC(=O)c1cn(C)c(-c2ccc(N)cc2)c1C(=O)OC Nc1ccc(cc1)[*:1] COC(=O)c1cn(C)c(c1C(=O)OC)[*:1]
COC(=O)c1cn(C)c(-c2ccc(N)cc2)c1C(=O)OC COC(=O)[*:1] COC(=O)c1cn(C)c(-c2ccc(N)cc2)c1[*:1]
COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccccc2C#N)c1 N#Cc1ccccc1[*:1] COc1cc(cc(c1)C(=O)OCC(=O)N[*:1])OC
CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)O[C@@H]1c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] CC(=O)N1N=C(O[C@@H]1c1ccc(o1)[*:1])c1ccc(Cl)c(Cl)c1
CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)O[C@@H]1c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] CC(=O)N1N=C(O[C@H]1[*:1])c1ccc(Cl)c(Cl)c1
CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)O[C@@H]1c1ccc([N+](=O)[O-])o1 Clc1ccc(cc1Cl)[*:1] CC(=O)N1N=C(O[C@@H]1c1ccc(o1)[N+](=O)[O-])[*:1]
N#C/C(=C\C=C\c1ccc(C#N)cc1)C(=O)c1ccc(F)c(Cl)c1 N#Cc1ccc(cc1)[*:1] N#C/C(=C\C=C[*:1])C(=O)c1ccc(F)c(Cl)c1
N#C/C(=C\C=C\c1ccc(C#N)cc1)C(=O)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] N#C/C(=C\C=C\c1ccc(C#N)cc1)C(=O)[*:1]
COc1ccccc1N1CCC[C@@H](NC(=O)C2(O)Cc3ccccc3C2)C1 COc1ccccc1[*:1] O=C(N[C@@H]1CCCN(C1)[*:1])C1(O)Cc2ccccc2C1
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC2(C(N)=O)CCOCC2)cc1 COc1ccc(cc1)[*:1] NC(=O)C1(CCOCC1)CNC(=O)c1cn(nc1[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC2(C(N)=O)CCOCC2)cc1 NC(=O)[*:1] COc1ccc(cc1)-c1nn(cc1C(=O)NCC1(CCOCC1)[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC2(C(N)=O)CCOCC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1C(=O)NCC1(CCOCC1)C(N)=O)[*:1]
O=C(NCCc1cccs1)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] O=C(NCCc1cccs1)c1ccc([nH]c1=O)[*:1]
O=C(NCCc1cccs1)c1ccc(-c2ccccc2)[nH]c1=O c1csc(c1)CC[*:1] O=C(N[*:1])c1ccc([nH]c1=O)-c1ccccc1
O=C(NCCc1cccs1)c1ccc(-c2ccccc2)[nH]c1=O c1csc(c1)C[*:1] O=C(NC[*:1])c1ccc([nH]c1=O)-c1ccccc1
O=C(NCCc1cccs1)c1ccc(-c2ccccc2)[nH]c1=O c1csc(c1)[*:1] O=C(NCC[*:1])c1ccc([nH]c1=O)-c1ccccc1
Nc1nc(N)nc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)n1 Nc1nc(N)nc(n1)[*:1] FC(F)(F)c1ccccc1-n1c(nnc1-c1cccc(Cl)c1)SC[*:1]
Nc1nc(N)nc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)n1 Nc1nc(N)nc(CS[*:1])n1 FC(F)(F)c1ccccc1-n1c(nnc1[*:1])-c1cccc(Cl)c1
Nc1nc(N)nc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] Nc1nc(N)nc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2[*:1])n1
Nc1nc(N)nc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)n1 Clc1cccc(c1)[*:1] Nc1nc(N)nc(CSc2nnc(n2-c2ccccc2C(F)(F)F)[*:1])n1
Nc1nc(N)nc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)n1 FC(F)(F)c1ccccc1[*:1] Nc1nc(N)nc(CSc2nnc(-c3cccc(Cl)c3)n2[*:1])n1
Nc1nc(N)nc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)n1 Nc1nc(N)nc(C[*:1])n1 FC(F)(F)c1ccccc1-n1c(nnc1-c1cccc(Cl)c1)S[*:1]
CN(C)C(=O)Cc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 CN(C)C(=O)C[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1cccc(Cl)c1
CN(C)C(=O)Cc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=S)NC(=O)[*:1]
CN(C)C(=O)Cc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 CN(C)C(=O)[*:1] O=C(NC(=S)Nc1ccc(cc1)C[*:1])c1cccc(Cl)c1
O=C([O-])/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)s1 c1ccc(cc1)[*:1] O=C([O-])/C(=C\c1ccc(cc1)[*:1])c1ccc(s1)S(=O)(=O)N1CCOCC1
O=C([O-])/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)s1 O=C([O-])[*:1] O=S(=O)(c1ccc(s1)/C(=C/c1ccc(cc1)-c1ccccc1)[*:1])N1CCOCC1
O=C([O-])/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)s1 O=S(=O)(N1CCOCC1)[*:1] O=C([O-])/C(=C\c1ccc(cc1)-c1ccccc1)c1ccc(s1)[*:1]
COc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cc(C)sc2C)cc1F Cc1cc(c(C)s1)[*:1] COc1ccc(cc1F)C(=O)CCC(=O)N[C@@H](C)[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)Nc1nccs1 c1csc(n1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)N[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)Nc1nccs1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])Nc1nccs1
CC(C)Cc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)cc1 CC(C)[*:1] O=C([O-])[C@H]1CN(CCO1)Cc1ccc(cc1)C[*:1]
CC(C)Cc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)cc1 O=C([O-])[*:1] CC(C)Cc1ccc(cc1)CN1CCO[C@@H](C1)[*:1]
CC(C)Cc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)cc1 CC(C)C[*:1] O=C([O-])[C@H]1CN(CCO1)Cc1ccc(cc1)[*:1]
COc1ccccc1Oc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c12 COc1ccccc1[*:1] Cc1sc2nc(C[NH+]3CCCC3)nc(O[*:1])c2c1C
CN(CCNC(=O)Nc1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCNC(=O)Nc1ccc(cc1)[N-]S(C)(=O)=O)[*:1]
CN(CCNC(=O)Nc1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1 CN(c1ccccc1)[*:1] CS(=O)(=O)[N-]c1ccc(cc1)NC(=O)NCC[*:1]
CC(=O)Nc1ccc(Sc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)Sc1cc(C)nc(n1)[*:1]
CC(=O)Nc1ccc(Sc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)cc1 CC(=O)N[*:1] Cc1cc(nc(n1)-c1cccc(c1)[N+](=O)[O-])Sc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(Sc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)Sc1cc(C)nc(n1)-c1cccc(c1)[*:1]
Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@H]1CCCN1C(=O)CCC(=O)[*:1])c1ccccc1
Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] Cc1ccc(cc1)C(=O)CCC(=O)N1CCC[C@@H]1C[*:1]
Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C(C[C@H]1CCCN1C(=O)CC[*:1])c1ccccc1
Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)CCC(=O)N1CCC[C@@H]1CC(=O)[*:1]
Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cc1 O=C(C[*:1])c1ccccc1 Cc1ccc(cc1)C(=O)CCC(=O)N1CCC[C@H]1[*:1]
Cc1nn([C@H]2CC[C@@](CO)([NH2+]C(C)C)C2)cc1Cl CC(C)[*:1] Cc1nn(cc1Cl)[C@H]1CC[C@](CO)(C1)[NH2+][*:1]
COC[C@H]1CCCCN1C(=O)c1cn(Cc2ccccc2F)nn1 Fc1ccccc1C[*:1] COC[C@H]1CCCCN1C(=O)c1cn(nn1)[*:1]
COC[C@H]1CCCCN1C(=O)c1cn(Cc2ccccc2F)nn1 Fc1ccccc1[*:1] COC[C@H]1CCCCN1C(=O)c1cn(C[*:1])nn1
COC[C@H]1CCCCN1C(=O)c1cn(Cc2ccccc2F)nn1 COC[*:1] O=C(c1cn(Cc2ccccc2F)nn1)N1CCCC[C@@H]1[*:1]
CCCNC(=O)CSCc1nc(-c2ccccc2)oc1C c1ccc(cc1)[*:1] CCCNC(=O)CSCc1nc(oc1C)[*:1]
CCCNC(=O)CSCc1nc(-c2ccccc2)oc1C CCC[*:1] Cc1oc(nc1CSCC(=O)N[*:1])-c1ccccc1
CCCNC(=O)CSCc1nc(-c2ccccc2)oc1C CCCNC(=O)[*:1] Cc1oc(nc1CSC[*:1])-c1ccccc1
CCCNC(=O)CSCc1nc(-c2ccccc2)oc1C CCCNC(=O)C[*:1] Cc1oc(nc1CS[*:1])-c1ccccc1
COc1ccc(CNC(=O)c2cnc3sc4c(n3c2=O)CCCCC4)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1cnc2sc3CCCCCc3n2c1=O
COc1ccc(CNC(=O)c2cnc3sc4c(n3c2=O)CCCCC4)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])c1cnc2sc3CCCCCc3n2c1=O
CC1(C)CC(N2C[NH+](C3CCCCC3)CC2=O)CC(C)(C)[NH2+]1 C1CCC(CC1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)N1C[NH+](CC1=O)[*:1]
CCn1nc(C(=O)NNC(=O)c2ccncc2)c2ccccc2c1=O c1cc(ccn1)[*:1] CCn1nc(C(=O)NNC(=O)[*:1])c2ccccc2c1=O
C[C@@H](C(=O)N(Cc1ccc(F)cc1)CC1CC1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)N(Cc1ccc(F)cc1)CC1CC1)[*:1]
C[C@@H](C(=O)N(Cc1ccc(F)cc1)CC1CC1)c1ccsc1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)N(CC1CC1)C[*:1])c1ccsc1
C[C@@H](C(=O)N(Cc1ccc(F)cc1)CC1CC1)c1ccsc1 C1CC1C[*:1] C[C@@H](C(=O)N(Cc1ccc(F)cc1)[*:1])c1ccsc1
C[C@@H](C(=O)N(Cc1ccc(F)cc1)CC1CC1)c1ccsc1 C1CC1[*:1] C[C@@H](C(=O)N(Cc1ccc(F)cc1)C[*:1])c1ccsc1
O=C(NCc1ccccn1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 FC(F)(F)[*:1] O=C(NCc1ccccn1)c1cc2nc(cc(n2n1)[*:1])-c1ccco1
O=C(NCc1ccccn1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 c1coc(c1)[*:1] O=C(NCc1ccccn1)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
O=C(NCc1ccccn1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 c1ccc(C[*:1])nc1 O=C(N[*:1])c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccco1
O=C(NCc1ccccn1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 c1ccc(nc1)[*:1] O=C(NC[*:1])c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccco1
Nc1ccc(N2CCOCC2)nc1OCC1CC1 C1CC1C[*:1] Nc1ccc(nc1O[*:1])N1CCOCC1
Nc1ccc(N2CCOCC2)nc1OCC1CC1 C1CC1[*:1] Nc1ccc(nc1OC[*:1])N1CCOCC1
Nc1ccc(N2CCOCC2)nc1OCC1CC1 C1CC1CO[*:1] Nc1ccc(nc1[*:1])N1CCOCC1
Nc1ccc(N2CCOCC2)nc1OCC1CC1 C1CN(CCO1)[*:1] Nc1ccc(nc1OCC1CC1)[*:1]
C[C@H]1CN(C[C@H](O)CSc2ccccn2)C[C@@H](C)O1 c1ccc(nc1)[*:1] C[C@H]1CN(C[C@H](O)CS[*:1])C[C@@H](C)O1
C[C@H](NC(=O)NCCCC(C)(C)CO)c1nnc2ccccn12 CC(C)(CO)[*:1] C[C@H](NC(=O)NCCC[*:1])c1nnc2ccccn12
C[C@H](NC(=O)NCCCC(C)(C)CO)c1nnc2ccccn12 CC(C)(CO)C[*:1] C[C@H](NC(=O)NCC[*:1])c1nnc2ccccn12
C[C@H](NC(=O)NCCCC(C)(C)CO)c1nnc2ccccn12 CC(C)(CO)CC[*:1] C[C@H](NC(=O)NC[*:1])c1nnc2ccccn12
CNC(=O)COc1ccccc1C[NH+](C)C1CCC(OC)CC1 CNC(=O)[*:1] COC1CCC(CC1)[NH+](C)Cc1ccccc1OC[*:1]
CNC(=O)COc1ccccc1C[NH+](C)C1CCC(OC)CC1 CNC(=O)CO[*:1] COC1CCC(CC1)[NH+](C)Cc1ccccc1[*:1]
CNC(=O)COc1ccccc1C[NH+](C)C1CCC(OC)CC1 CNC(=O)C[*:1] COC1CCC(CC1)[NH+](C)Cc1ccccc1O[*:1]
C[C@H]1CCN(CC(=O)NCCCN2CCCCCC2=O)c2ccccc21 O=C1CCCCCN1[*:1] C[C@H]1CCN(CC(=O)NCCC[*:1])c2ccccc21
CC(C)c1cccc(NC(=O)CNC(=O)OC(C)(C)C)c1 CC(C)[*:1] CC(C)(C)OC(=O)NCC(=O)Nc1cccc(c1)[*:1]
CC(C)c1cccc(NC(=O)CNC(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] CC(C)c1cccc(c1)NC(=O)CNC(=O)O[*:1]
C[C@H](c1ccccc1)N(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C c1ccc(cc1)[*:1] C[C@@H](NC(=O)N(C)[C@@H](C)[*:1])C(C)(C)C[NH+](C)C
CC(C)N(C)C(=O)C1CCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 CC(C)N(C)C(=O)[*:1] O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC(CC1)[*:1]
CC(C)N(C)C(=O)C1CCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 C1CC1[*:1] CC(C)N(C)C(=O)C1CCN(CC1)[C@@H](C(=O)N[*:1])c1ccc(F)cc1
CC(C)N(C)C(=O)C1CCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)N(C)C(=O)C1CCN(CC1)[C@@H](C(=O)NC1CC1)[*:1]
CC(C)N(C)C(=O)C1CCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 CC(C)[*:1] CN(C(=O)C1CCN(CC1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)[*:1]
CC(C)N(C)C(=O)C1CCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 O=C(NC1CC1)[*:1] CC(C)N(C)C(=O)C1CCN(CC1)[C@@H](c1ccc(F)cc1)[*:1]
C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 c1csc(c1)[*:1] C[C@H](c1nc(no1)[*:1])N1CC[NH+](CC1)Cc1ccc(o1)[N+](=O)[O-]
C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 O=[N+]([O-])c1ccc(C[*:1])o1 C[C@H](c1nc(no1)-c1cccs1)N1CC[NH+](CC1)[*:1]
C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 O=[N+]([O-])c1ccc(o1)[*:1] C[C@H](c1nc(no1)-c1cccs1)N1CC[NH+](CC1)C[*:1]
C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 O=[N+]([O-])[*:1] C[C@H](c1nc(no1)-c1cccs1)N1CC[NH+](CC1)Cc1ccc(o1)[*:1]
CC(=O)[C@@H](C)CCc1ccncc1 CC(=O)[*:1] C[C@@H](CCc1ccncc1)[*:1]
CC1(CNC(=O)c2ccnc(Cl)c2[N+](=O)[O-])COC1 CC1(COC1)[*:1] O=C(NC[*:1])c1ccnc(Cl)c1[N+](=O)[O-]
CC1(CNC(=O)c2ccnc(Cl)c2[N+](=O)[O-])COC1 CC1(COC1)C[*:1] O=C(N[*:1])c1ccnc(Cl)c1[N+](=O)[O-]
CC1(CNC(=O)c2ccnc(Cl)c2[N+](=O)[O-])COC1 O=[N+]([O-])[*:1] CC1(CNC(=O)c2ccnc(Cl)c2[*:1])COC1
CC[C@H](NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@H](NC(=O)c1ccc(cc1)N1CC[NH+](CC)CC1)[*:1]
CC(C)[C@](C)(O)CNC(=O)[C@@H](C)Sc1nnnn1C1CC1 CC(C)[*:1] C[C@@H](Sc1nnnn1C1CC1)C(=O)NC[C@](C)(O)[*:1]
CC(C)[C@](C)(O)CNC(=O)[C@@H](C)Sc1nnnn1C1CC1 CC(C)[C@](C)(O)C[*:1] C[C@@H](Sc1nnnn1C1CC1)C(=O)N[*:1]
CC(C)[C@](C)(O)CNC(=O)[C@@H](C)Sc1nnnn1C1CC1 C1CC1[*:1] CC(C)[C@](C)(O)CNC(=O)[C@@H](C)Sc1nnnn1[*:1]
CC(C)[C@](C)(O)CNC(=O)[C@@H](C)Sc1nnnn1C1CC1 CC(C)[C@](C)(O)[*:1] C[C@@H](Sc1nnnn1C1CC1)C(=O)NC[*:1]
O=C(NNS(=O)(=O)c1ccc(Br)s1)Nc1ccccc1 Brc1ccc(s1)[*:1] O=C(NNS(=O)(=O)[*:1])Nc1ccccc1
O=C(NNS(=O)(=O)c1ccc(Br)s1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NNS(=O)(=O)c1ccc(Br)s1)N[*:1]
CCC[C@@H]1CN(C(=O)c2cc(OC)c(OC)cc2C)CCO1 CCC[*:1] COc1cc(C)c(cc1OC)C(=O)N1CCO[C@@H](C1)[*:1]
N#Cc1ccc(NC[C@H]2CCO[C@@H]2c2ccccc2)nc1 c1ccc(cc1)[*:1] N#Cc1ccc(nc1)NC[C@H]1CCO[C@H]1[*:1]
CCOc1ccccc1C(=O)Nc1cc(-c2noc(CC)n2)sc1C CCO[*:1] CCc1nc(no1)-c1cc(NC(=O)c2ccccc2[*:1])c(C)s1
CCOc1ccccc1C(=O)Nc1cc(-c2noc(CC)n2)sc1C CCc1nc(no1)[*:1] CCOc1ccccc1C(=O)Nc1cc(sc1C)[*:1]
COc1ccccc1C1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 COc1ccccc1[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)C1(CC1)[*:1])[NH+](C)C
COc1ccccc1C1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 Cc1ccc(cc1)[*:1] COc1ccccc1C1(CC1)C(=O)NC[C@H]([NH+](C)C)[*:1]
C[C@]1(CO)CCC[C@H]1NC(=O)NCc1ccnc(OC2CCCC2)c1 C1CCC(C1)O[*:1] C[C@]1(CO)CCC[C@H]1NC(=O)NCc1ccnc(c1)[*:1]
C[C@]1(CO)CCC[C@H]1NC(=O)NCc1ccnc(OC2CCCC2)c1 C1CCC(C1)[*:1] C[C@]1(CO)CCC[C@H]1NC(=O)NCc1ccnc(c1)O[*:1]
Cc1cc(OCC(N)=S)cc(C)c1Cl NC(=S)[*:1] Cc1cc(cc(C)c1Cl)OC[*:1]
Cc1cc(OCC(N)=S)cc(C)c1Cl NC(=S)C[*:1] Cc1cc(cc(C)c1Cl)O[*:1]
O=C(CSCc1cscn1)N[C@H](CO)c1cc(F)c(F)c(F)c1 c1nc(cs1)[*:1] O=C(CSC[*:1])N[C@H](CO)c1cc(F)c(F)c(F)c1
O=C(CSCc1cscn1)N[C@H](CO)c1cc(F)c(F)c(F)c1 c1nc(cs1)C[*:1] O=C(CS[*:1])N[C@H](CO)c1cc(F)c(F)c(F)c1
O=C(CSCc1cscn1)N[C@H](CO)c1cc(F)c(F)c(F)c1 c1nc(cs1)CS[*:1] O=C(C[*:1])N[C@H](CO)c1cc(F)c(F)c(F)c1
Cn1cnc(CNC(=O)N2CCC3(CCCC3)CC2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])N1CCC2(CCCC2)CC1
Cc1cscc1CNC[C@H](O)c1ccc2ccccc2c1 Cc1cscc1C[*:1] O[C@@H](CN[*:1])c1ccc2ccccc2c1
Cc1cscc1CNC[C@H](O)c1ccc2ccccc2c1 Cc1cscc1[*:1] O[C@@H](CNC[*:1])c1ccc2ccccc2c1
CSc1nc(C)c(CCC(=O)Nc2cccc(Br)n2)c(=O)[nH]1 Brc1cccc(n1)[*:1] CSc1nc(C)c(CCC(=O)N[*:1])c(=O)[nH]1
Cc1ccc(NC(=O)CN2C(=O)CCS(=O)(=O)c3ccccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)N[*:1]
Clc1ccc(Cl)c(-c2nnc3sc(-c4cccnc4)nn23)c1 c1cncc(c1)[*:1] Clc1ccc(Cl)c(c1)-c1nnc2sc(nn12)[*:1]
COc1ccc(NC(=O)[C@H]2C(=O)N[C@]34CCCC[C@@H]3[C@H]2c2ccccc2O4)cc1 COc1ccc(cc1)[*:1] O=C1N[C@]23CCCC[C@@H]2[C@@H](c2ccccc2O3)[C@H]1C(=O)N[*:1]
Cc1ccc(-c2nnc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)s1 c1cc2OCOc2cc1[*:1] Cc1ccc(s1)-c1nnc(CCC(=O)N2CCN(CC2)C[*:1])o1
Cc1ccc(-c2nnc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)s1 c1cc2OCOc2cc1C[*:1] Cc1ccc(s1)-c1nnc(CCC(=O)N2CCN(CC2)[*:1])o1
Cc1ccc(-c2nnc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)s1 Cc1ccc(s1)[*:1] O=C(CCc1nnc(o1)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O Cc1ccc(Cl)cc1[*:1] Cc1nn(c(=O)c2nn(-c3ccccc3)c(C)c12)[C@H](C)C(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(C)c2c(C)n(nc2c1=O)[*:1]
O=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1cn2ccccc2n1 FC(F)(F)[*:1] O=C(/C=C/c1cccc(c1)[*:1])NCc1cn2ccccc2n1
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1CSCN1C(=O)[*:1]
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N[*:1]
Cc1ccccc1NC(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 O=C([O-])[*:1] Cc1ccccc1NC(=O)NC[C@@H]1CC[C@@H](O1)[*:1]
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 Clc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1cc(Cl)cc(Cl)c1
CCc1cnc(CO/N=C(/N)[C@H]2CCOC2)o1 C1C[C@@H](CO1)[*:1] CCc1cnc(CO/N=C(/N)[*:1])o1
O=C(CCc1ccccc1F)OCc1nc(C2CC2)cs1 C1CC1[*:1] O=C(CCc1ccccc1F)OCc1nc(cs1)[*:1]
O=C(CCc1ccccc1F)OCc1nc(C2CC2)cs1 Fc1ccccc1[*:1] O=C(CC[*:1])OCc1nc(cs1)C1CC1
CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1 CCNC(=O)[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)[*:1])c1ccccc1
CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] CCNC(=O)c1cccc(c1)NC(=O)C(=O)N[C@@H](C)[*:1]
CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1 C[C@@H](c1ccccc1)[*:1] CCNC(=O)c1cccc(c1)NC(=O)C(=O)N[*:1]
CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc2OCCOc2c1)[*:1]
CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] CC[C@H](C)[*:1] O=C([O-])[C@H](NS(=O)(=O)c1ccc2OCCOc2c1)[*:1]
Cc1ccccc1CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C Cc1ccccc1[*:1] Cc1cc(ccc1S(=O)(=O)NC[*:1])N1C(=O)CCS1(=O)=O
Cc1ccccc1CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C Cc1ccccc1C[*:1] Cc1cc(ccc1S(=O)(=O)N[*:1])N1C(=O)CCS1(=O)=O
Cc1ccccc1CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C O=C1CCS(=O)(=O)N1[*:1] Cc1ccccc1CNS(=O)(=O)c1ccc(cc1C)[*:1]
CC(=O)Nc1nc(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cs1 CC(=O)N[*:1] C[C@@H](NC(=O)c1csc(n1)[*:1])c1ccc(cc1)-c1ccncc1
CC(=O)Nc1nc(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cs1 c1cc(ccn1)[*:1] CC(=O)Nc1nc(cs1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1ccc(CCC(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
Cc1nn(C)c2sc(C(=O)NCc3ccccc3F)cc12 Fc1ccccc1[*:1] Cc1nn(C)c2sc(cc12)C(=O)NC[*:1]
COc1ccc(C(=O)N[C@H](C)c2c(C)noc2C)cc1OCCO OCC[*:1] COc1ccc(cc1O[*:1])C(=O)N[C@H](C)c1c(C)noc1C
COc1ccc(C(=O)N[C@H](C)c2c(C)noc2C)cc1OCCO Cc1noc(C)c1[*:1] COc1ccc(cc1OCCO)C(=O)N[C@H](C)[*:1]
COc1ccc(C(=O)N[C@H](C)c2c(C)noc2C)cc1OCCO OCCO[*:1] COc1ccc(cc1[*:1])C(=O)N[C@H](C)c1c(C)noc1C
Cc1ccc(C(=O)/N=C(/NCCC2=c3ccccc3=[NH+]C2)Nc2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(/N=C(/NCCC1C[NH+]=c2ccccc2=1)Nc1ccc(F)cc1)[*:1]
Cc1ccc(C(=O)/N=C(/NCCC2=c3ccccc3=[NH+]C2)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)/N=C(/NCCC1C[NH+]=c2ccccc2=1)N[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1cccc(F)c1C c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)CNc1cccc(F)c1C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1cccc(F)c1C Cc1c(F)cccc1[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[*:1]
O=C([O-])c1ccccc1C(=O)N1CCOCCOCCOCC1 O=C([O-])[*:1] O=C(c1ccccc1[*:1])N1CCOCCOCCOCC1
Cc1cc(N)nc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1 c1ncn(n1)[*:1] Cc1cc(N)nc(n1)SCC(=O)Nc1cc(Cl)ccc1[*:1]
Cc1cc(N)nc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1 Cc1cc(N)nc(n1)[*:1] O=C(CS[*:1])Nc1cc(Cl)ccc1-n1cncn1
Cc1ccc(OCC(=O)OC2(C3CC3)CC2)cc1C C1CC1C1(CC1)[*:1] Cc1ccc(cc1C)OCC(=O)O[*:1]
Cc1ccc(OCC(=O)OC2(C3CC3)CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)OCC(=O)OC1(CC1)[*:1]
Cc1ccc(CN(C(=O)C[S@@](=O)c2nncn2C(C)C)C2CC2)o1 CC(C)[*:1] Cc1ccc(CN(C(=O)C[S@@](=O)c2nncn2[*:1])C2CC2)o1
Cc1ccc(CN(C(=O)C[S@@](=O)c2nncn2C(C)C)C2CC2)o1 C1CC1[*:1] Cc1ccc(CN(C(=O)C[S@@](=O)c2nncn2C(C)C)[*:1])o1
Cc1ccc(CN(C(=O)C[S@@](=O)c2nncn2C(C)C)C2CC2)o1 Cc1ccc(o1)[*:1] CC(C)n1cnnc1[S@](=O)CC(=O)N(C[*:1])C1CC1
Cc1ccc(CN(C(=O)C[S@@](=O)c2nncn2C(C)C)C2CC2)o1 Cc1ccc(C[*:1])o1 CC(C)n1cnnc1[S@](=O)CC(=O)N(C1CC1)[*:1]
Cc1ccc(CN(C(=O)C[S@@](=O)c2nncn2C(C)C)C2CC2)o1 CC(C)n1cnnc1[*:1] Cc1ccc(CN(C(=O)C[S@@](=O)[*:1])C2CC2)o1
CC(C)OCCCN1C(=O)CC[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 CC(C)OCCC[*:1] O=C1CC[C@@H](c2c([nH]c3ccccc23)-c2ccc(F)cc2)N1[*:1]
CC(C)OCCCN1C(=O)CC[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 Fc1ccc(cc1)[*:1] CC(C)OCCCN1C(=O)CC[C@H]1c1c([nH]c2ccccc12)[*:1]
CC(C)OCCCN1C(=O)CC[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 CC(C)O[*:1] O=C1CC[C@@H](c2c([nH]c3ccccc23)-c2ccc(F)cc2)N1CCC[*:1]
CC(C)OCCCN1C(=O)CC[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 CC(C)OCC[*:1] O=C1CC[C@@H](c2c([nH]c3ccccc23)-c2ccc(F)cc2)N1C[*:1]
CC(C)OCCCN1C(=O)CC[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 CC(C)[*:1] O=C1CC[C@@H](c2c([nH]c3ccccc23)-c2ccc(F)cc2)N1CCCO[*:1]
CC(C)OCCCN1C(=O)CC[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 CC(C)OC[*:1] O=C1CC[C@@H](c2c([nH]c3ccccc23)-c2ccc(F)cc2)N1CC[*:1]
COCc1ccc(CN2CCO[C@H](c3cccc(Br)c3)C2)o1 Brc1cccc(c1)[*:1] COCc1ccc(CN2CCO[C@H](C2)[*:1])o1
COCc1ccc(CN2CCO[C@H](c3cccc(Br)c3)C2)o1 COC[*:1] Brc1cccc(c1)[C@@H]1CN(CCO1)Cc1ccc(o1)[*:1]
O=C(CN1CCCN(Cc2ccccc2Cl)S1(=O)=O)N1CCCCCC1 Clc1ccccc1C[*:1] O=C(CN1CCCN(S1(=O)=O)[*:1])N1CCCCCC1
O=C(CN1CCCN(Cc2ccccc2Cl)S1(=O)=O)N1CCCCCC1 Clc1ccccc1[*:1] O=C(CN1CCCN(C[*:1])S1(=O)=O)N1CCCCCC1
CCOc1ccc(N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)C(=O)C(C)(C)C)cc1 CCOc1ccc(cc1)[*:1] CC(C)(C)C(=O)N(C[C@@H]1C=c2ccccc2=[NH+]C1=O)[*:1]
CCOc1ccc(N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)C(=O)C(C)(C)C)cc1 CCO[*:1] CC(C)(C)C(=O)N(C[C@@H]1C=c2ccccc2=[NH+]C1=O)c1ccc(cc1)[*:1]
CCOc1ccc(N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)C(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)N(C[C@@H]1C=c2ccccc2=[NH+]C1=O)C(=O)[*:1]
Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3c(F)cccc3F)cc21 C1CCN(CC1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)c1c(F)cccc1F)[*:1]
Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3c(F)cccc3F)cc21 Fc1cccc(F)c1[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)[*:1])N1CCCCC1
Cc1cc([C@@H]2CCCN2C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)on1 NS(=O)(=O)[*:1] Cc1cc(on1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)c(c1)[*:1]
Cc1cc([C@@H]2CCCN2C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)on1 Cc1cc(on1)[*:1] Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)N1CCC[C@H]1[*:1]
O=C(Nc1ccnn1Cc1ccccc1)C(=O)N[C@H]1CCOc2ccccc21 c1ccc(cc1)[*:1] O=C(Nc1ccnn1C[*:1])C(=O)N[C@H]1CCOc2ccccc21
O=C(Nc1ccnn1Cc1ccccc1)C(=O)N[C@H]1CCOc2ccccc21 c1ccc(cc1)C[*:1] O=C(Nc1ccnn1[*:1])C(=O)N[C@H]1CCOc2ccccc21
O=C1[C@H]2CCCN2C(=O)N1Cc1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C1[C@H]2CCCN2C(=O)N1Cc1ccn(n1)[*:1]
CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CNC(=O)CN1CCN(CC1)C(=O)O[*:1]
CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 CNC(=O)C[*:1] CC(C)(C)OC(=O)N1CCN(CC1)[*:1]
CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 CNC(=O)[*:1] CC(C)(C)OC(=O)N1CCN(CC1)C[*:1]
CCc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2)c1 c1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C1)[*:1]
CCc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2)c1 CCc1cccc(c1)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)C(=O)N[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCNCC2)C1=O O=C(N1CCNCC1)[*:1] CC[C@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCNCC2)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CC(=O)N2CCNCC2)C1=O)[*:1]
CCn1nc(C)cc1C[C@@H]([NH3+])[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] CCn1nc(C)cc1C[C@@H]([NH3+])[C@@H]1CN(CCO1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1ccc2c(c1)nnn2C CNC(=O)[*:1] C[C@H](CN(C)C(=O)c1ccc2c(c1)nnn2C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1ccc2c(c1)nnn2C CNC(=O)[C@H](C)[*:1] CN(C[*:1])C(=O)c1ccc2c(c1)nnn2C
CNC(=O)[C@H](C)CN(C)C(=O)c1ccc2c(c1)nnn2C CNC(=O)[C@H](C)C[*:1] CN(C(=O)c1ccc2c(c1)nnn2C)[*:1]
CC[C@H](C)N1C(=O)c2ccccc2N[C@]1(C)c1cccc(OCC(C)C)c1 CC(C)C[*:1] CC[C@H](C)N1C(=O)c2ccccc2N[C@]1(C)c1cccc(c1)O[*:1]
CC[C@H](C)N1C(=O)c2ccccc2N[C@]1(C)c1cccc(OCC(C)C)c1 CC(C)CO[*:1] CC[C@H](C)N1C(=O)c2ccccc2N[C@]1(C)c1cccc(c1)[*:1]
CC[C@H](C)N1C(=O)c2ccccc2N[C@]1(C)c1cccc(OCC(C)C)c1 CC(C)[*:1] CC[C@H](C)N1C(=O)c2ccccc2N[C@]1(C)c1cccc(c1)OC[*:1]
CC[C@H](C)N1C(=O)c2ccccc2N[C@]1(C)c1cccc(OCC(C)C)c1 CC[C@H](C)[*:1] CC(C)COc1cccc(c1)[C@@]1(C)Nc2ccccc2C(=O)N1[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccco2)cc1C(F)(F)F c1coc(c1)[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)C(=O)NC[C@@H](O)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccco2)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)NC[C@@H](O)c1ccco1
O=C(Cn1nnnc1C[NH+]1CCCC1)NCc1cc(-c2ccco2)on1 c1coc(c1)[*:1] O=C(Cn1nnnc1C[NH+]1CCCC1)NCc1cc(on1)[*:1]
O=c1c(-c2nc(-c3cccc(F)c3)no2)c([O-])[nH]c2ccccc12 Fc1cccc(c1)[*:1] O=c1c(-c2nc(no2)[*:1])c([O-])[nH]c2ccccc12
Cn1cc(C(N)=O)cc1C(=O)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] Cn1cc(cc1C(=O)N[C@@H](c1ccccn1)[*:1])C(N)=O
Cn1cc(C(N)=O)cc1C(=O)N[C@@H](c1ccccc1)c1ccccn1 NC(=O)[*:1] Cn1cc(cc1C(=O)N[C@@H](c1ccccc1)c1ccccn1)[*:1]
Cn1cc(C(N)=O)cc1C(=O)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] Cn1cc(cc1C(=O)N[C@@H](c1ccccc1)[*:1])C(N)=O
COC(=O)c1c(C)[nH]c(C(=O)NCc2nc(-c3ccccc3)no2)c1C c1ccc(cc1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)NCc2nc(no2)[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)NCc2nc(-c3ccccc3)no2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)NCc2nc(no2)-c2ccccc2)c(C)c1[*:1]
CC[NH2+][C@H](c1ncc[nH]1)c1occc1Br c1c[nH]c(n1)[*:1] CC[NH2+][C@H](c1occc1Br)[*:1]
O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 c1ccc(cc1)C[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1C[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CN(C)C(=O)c1ccccc1NCC(=O)NC1(C#N)CCCCC1 CN(C)C(=O)[*:1] N#CC1(CCCCC1)NC(=O)CNc1ccccc1[*:1]
CN(C)C(=O)c1ccccc1NCC(=O)NC1(C#N)CCCCC1 N#CC1(CCCCC1)[*:1] CN(C)C(=O)c1ccccc1NCC(=O)N[*:1]
O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3ncsc3c2)C1 O=C([O-])[*:1] O=C(c1ccc2ncsc2c1)N1CCC[C@H](C1)[*:1]
O=C(NCc1cc(F)cc(F)c1)c1cccnc1 c1cncc(c1)[*:1] O=C(NCc1cc(F)cc(F)c1)[*:1]
Cc1cc(NC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)ccc1Br O=[N+]([O-])[*:1] Cc1cc(ccc1Br)NC(=O)C1CN(C1)C(=O)c1ccc(o1)[*:1]
Cc1cc(NC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(N[*:1])C1CN(C1)C(=O)c1ccc(o1)[N+](=O)[O-]
Cc1cc(NC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)ccc1Br O=[N+]([O-])c1ccc(o1)[*:1] Cc1cc(ccc1Br)NC(=O)C1CN(C1)C(=O)[*:1]
CN(C(=O)NCc1ccccc1Oc1cnccn1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)NCc1ccccc1Oc1cnccn1)[*:1]
CN(C(=O)NCc1ccccc1Oc1cnccn1)C1CCOCC1 c1cnc(cn1)[*:1] CN(C(=O)NCc1ccccc1O[*:1])C1CCOCC1
CN(C(=O)NCc1ccccc1Oc1cnccn1)C1CCOCC1 c1cnc(cn1)O[*:1] CN(C(=O)NCc1ccccc1[*:1])C1CCOCC1
C[NH2+]Cc1cc(S(=O)(=O)NCc2sccc2C)ccc1F Cc1ccsc1C[*:1] C[NH2+]Cc1cc(ccc1F)S(=O)(=O)N[*:1]
C[NH2+]Cc1cc(S(=O)(=O)NCc2sccc2C)ccc1F Cc1ccsc1[*:1] C[NH2+]Cc1cc(ccc1F)S(=O)(=O)NC[*:1]
O=C(NC1CCCCCCCCCCC1)c1nc(-c2cnccn2)no1 c1cnc(cn1)[*:1] O=C(NC1CCCCCCCCCCC1)c1nc(no1)[*:1]
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC[C@H](C)Oc1ccc(cc1)C(=O)NNC(=O)[*:1]
CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 CC[C@H](C)O[*:1] O=C(NNC(=O)c1ccc(cc1)[*:1])c1ccc(Cl)cc1
CCCC[NH+](CC)Cc1ccc2c(c1)COC2 CCCC[*:1] CC[NH+](Cc1ccc2COCc2c1)[*:1]
CCCC[NH+](CC)Cc1ccc2c(c1)COC2 CCC[*:1] CC[NH+](Cc1ccc2COCc2c1)C[*:1]
CCC[NH2+][C@@H](c1cc(C)ccn1)[C@H]1CCc2cccnc21 Cc1ccnc(c1)[*:1] CCC[NH2+][C@@H]([C@H]1CCc2cccnc21)[*:1]
CCC[NH2+][C@@H](c1cc(C)ccn1)[C@H]1CCc2cccnc21 CCC[*:1] Cc1ccnc(c1)[C@H]([NH2+][*:1])[C@H]1CCc2cccnc21
CCOc1ccc2sc(NC(=O)CSc3nc(C)c(C)[nH]3)nc2c1 Cc1nc([nH]c1C)S[*:1] CCOc1ccc2sc(nc2c1)NC(=O)C[*:1]
CCOc1ccc2sc(NC(=O)CSc3nc(C)c(C)[nH]3)nc2c1 Cc1nc([nH]c1C)[*:1] CCOc1ccc2sc(nc2c1)NC(=O)CS[*:1]
CCOc1ccc2sc(NC(=O)CSc3nc(C)c(C)[nH]3)nc2c1 CCO[*:1] Cc1nc([nH]c1C)SCC(=O)Nc1nc2cc(ccc2s1)[*:1]
Cc1ccc(F)c(O[C@@H]2CCC[C@](CO)([NH2+]C3CC3)C2)c1 C1CC1[*:1] Cc1ccc(F)c(c1)O[C@@H]1CCC[C@@](CO)(C1)[NH2+][*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccc(Cl)n2)CC1 Cc1ccccc1[*:1] O=C(c1cccc(Cl)n1)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccc(Cl)n2)CC1 Cc1ccccc1C[*:1] O=C(c1cccc(Cl)n1)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccc(Cl)n2)CC1 Clc1cccc(n1)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)[*:1]
CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)N[*:1] CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(cc1)[*:1]
CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(cc1)N[*:1]
CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(Nc2ccccc2)cc1 CC(C)[*:1] O=C(CCn1cc[nH+]c1[*:1])Nc1ccc(cc1)Nc1ccccc1
COc1ccc(NC(=O)c2cc(C)ccc2NC(=O)N(C)C)cc1C CN(C)C(=O)N[*:1] COc1ccc(cc1C)NC(=O)c1cc(C)ccc1[*:1]
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc(Cl)c2Cl)c1 O=[N+]([O-])[*:1] [O-]c1ccc(cc1/C=N/c1cccc(Cl)c1Cl)[*:1]
CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 CN(C)S(=O)(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(Cl)cc1
CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)CNC(=O)[*:1]
Cc1nn(C)c(N2CCOCC2)c1CN(Cc1ccccn1)C[C@H]1CCCO1 C1CN(CCO1)[*:1] Cc1nn(C)c(c1CN(Cc1ccccn1)C[C@H]1CCCO1)[*:1]
Cc1nn(C)c(N2CCOCC2)c1CN(Cc1ccccn1)C[C@H]1CCCO1 c1ccc(C[*:1])nc1 Cc1nn(C)c(c1CN(C[C@H]1CCCO1)[*:1])N1CCOCC1
Cc1nn(C)c(N2CCOCC2)c1CN(Cc1ccccn1)C[C@H]1CCCO1 c1ccc(nc1)[*:1] Cc1nn(C)c(c1CN(C[C@H]1CCCO1)C[*:1])N1CCOCC1
CCC[NH2+][C@@]1(CO)CC[C@@H](N2C[C@H](C)OC[C@@H]2CC)C1 CCC[*:1] CC[C@H]1CO[C@@H](C)CN1[C@@H]1CC[C@@](CO)(C1)[NH2+][*:1]
O=C([O-])C[C@@H](NC(=O)C1CC=CC1)C1CC1 O=C([O-])[*:1] O=C(N[C@H](C[*:1])C1CC1)C1CC=CC1
O=C([O-])C[C@@H](NC(=O)C1CC=CC1)C1CC1 O=C([O-])C[*:1] O=C(N[C@@H](C1CC1)[*:1])C1CC=CC1
O=C([O-])C[C@@H](NC(=O)C1CC=CC1)C1CC1 C1CC1[*:1] O=C([O-])C[C@@H](NC(=O)C1CC=CC1)[*:1]
C=CCN(CC=C)S(C)(=O)=O C=CC[*:1] C=CCN(S(C)(=O)=O)[*:1]
Cc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)n1C c1ccc(cc1)C[*:1] Cc1ccc(CNC(=O)c2cn(nc2-c2cccnc2)[*:1])n1C
Cc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)n1C Cc1ccc(C[*:1])n1C O=C(N[*:1])c1cn(Cc2ccccc2)nc1-c1cccnc1
Cc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)n1C Cc1ccc(n1C)[*:1] O=C(NC[*:1])c1cn(Cc2ccccc2)nc1-c1cccnc1
Cc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)n1C c1ccc(cc1)[*:1] Cc1ccc(CNC(=O)c2cn(C[*:1])nc2-c2cccnc2)n1C
Cc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)n1C c1cncc(c1)[*:1] Cc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2[*:1])n1C
Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc2c1C O=C1CCC(=O)N1[*:1] Cc1ccc2sc(nc2c1C)N(CC[NH+](C)C)C(=O)c1cccc(c1)[*:1]
Cc1ccnn1[C@H](C)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O c1ccc(cc1)C[*:1] Cc1ccnn1[C@H](C)C(=O)N1CCC2(CC1)NC(=O)N(C2=O)[*:1]
Cc1ccnn1[C@H](C)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O c1ccc(cc1)[*:1] Cc1ccnn1[C@H](C)C(=O)N1CCC2(CC1)NC(=O)N(C[*:1])C2=O
Cc1ccnn1[C@H](C)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O Cc1ccnn1[*:1] C[C@H](C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O)[*:1]
CCC[C@H]1C(=O)NC(=O)C[C@H]1C(CC)CC CCC[*:1] CCC(CC)[C@@H]1CC(=O)NC(=O)[C@@H]1[*:1]
CCC[C@H]1C(=O)NC(=O)C[C@H]1C(CC)CC CCC(CC)[*:1] CCC[C@H]1C(=O)NC(=O)C[C@@H]1[*:1]
Cn1cccc1C(=O)NCCSc1nccn1C Cn1ccnc1[*:1] Cn1cccc1C(=O)NCCS[*:1]
Cn1cccc1C(=O)NCCSc1nccn1C Cn1cccc1[*:1] Cn1ccnc1SCCNC(=O)[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 CCc1ccccc1NC(=O)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCCC1)N1CCN(CC1)C[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 CCc1ccccc1[*:1] O=C(CN1CCN(CC1)C(=O)NCc1ccc([nH+]c1)N1CCCCCC1)N[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 C1CCCN(CC1)[*:1] CCc1ccccc1NC(=O)CN1CCN(CC1)C(=O)NCc1ccc([nH+]c1)[*:1]
Cc1ccc(-c2cc(C(=O)N(C)Cc3ccnc4ccccc34)[nH]n2)s1 Cc1ccc(s1)[*:1] CN(Cc1ccnc2ccccc12)C(=O)c1cc(n[nH]1)[*:1]
O=C([O-])C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)CCO1 O=C([O-])[*:1] O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)N1CCO[C@@H](C1)C[*:1]
O=C([O-])C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)CCO1 O=C([O-])C[*:1] O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)N1CCO[C@@H](C1)[*:1]
C[C@@H]1C[C@H]1c1noc([C@@H]2CC[NH2+][C@@H]2C)n1 C[C@@H]1C[C@@H]1[*:1] C[C@H]1[NH2+]CC[C@H]1c1nc(no1)[*:1]
COc1cccc(-c2ccc(=O)n(CC(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)n2)c1 COc1cccc(c1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])NC[C@H]1C[C@@H]2C=C[C@H]1C2
CC[C@@H](O)c1ccn(Cc2cccc3cccnc23)c1 CC[C@@H](O)[*:1] c1cnc2c(cccc2c1)Cn1ccc(c1)[*:1]
O=C(Nc1cccc2ccccc12)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 c1ccc2c(cccc2c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)Cc1ccc(F)cc1
O=C(Nc1cccc2ccccc12)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(Nc1cccc2ccccc12)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1cccc2ccccc12)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc2ccccc12)C1CCN(CC1)S(=O)(=O)C[*:1]
O=C(CSc1ncnc2scc(-c3ccccc3)c12)N[C@H]1CCSc2ccccc21 c1ccc(cc1)[*:1] O=C(CSc1ncnc2scc(c12)[*:1])N[C@H]1CCSc2ccccc21
O=C(NCCC[NH+]1CCCC1)C1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCCC1)C1(CC1)[*:1]
CCOc1ccc2cc(C(=O)NCc3cc(C#N)ccc3F)[nH]c2c1 CCO[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1cc2ccc(cc2[nH]1)[*:1]
COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cnc2ncccn12 COC(=O)[*:1] CN(Cc1cnc2ncccn12)[C@H](c1cc(F)c(F)c(F)c1)[*:1]
CC1(C)CC(NC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)CC(C)(C)[NH2+]1 c1ccc2[nH]c(nc2c1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)N1CCC[C@@H]1[*:1]
O=C(Nc1ccc(SC(F)F)cc1)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)SC(F)F)N[C@@H](CO)C[*:1]
O=C(Nc1ccc(SC(F)F)cc1)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)SC(F)F)N[C@@H](CO)[*:1]
O=C(Nc1ccc(SC(F)F)cc1)N[C@@H](CO)Cc1ccccc1 FC(F)[*:1] O=C(Nc1ccc(cc1)S[*:1])N[C@@H](CO)Cc1ccccc1
O=C(Nc1ccc(SC(F)F)cc1)N[C@@H](CO)Cc1ccccc1 FC(F)S[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H](CO)Cc1ccccc1
Cn1cc(-c2nc(C(=O)N(CCC#N)CCC#N)cs2)cn1 Cn1cc(cn1)[*:1] N#CCCN(CCC#N)C(=O)c1csc(n1)[*:1]
Cn1cc(-c2nc(C(=O)N(CCC#N)CCC#N)cs2)cn1 N#CC[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)N(CCC#N)C[*:1]
Cn1cc(-c2nc(C(=O)N(CCC#N)CCC#N)cs2)cn1 N#CCC[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)N(CCC#N)[*:1]
Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)c2ccsc2)c1 c1cc(cs1)[*:1] Cc1cccc(c1)CN(CC[NH+](C)C)C(=O)[C@@H](C)[*:1]
Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)c2ccsc2)c1 C[C@@H](c1ccsc1)[*:1] Cc1cccc(c1)CN(CC[NH+](C)C)C(=O)[*:1]
Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)c2ccsc2)c1 Cc1cccc(c1)[*:1] C[C@H](C(=O)N(CC[NH+](C)C)C[*:1])c1ccsc1
O=C1C[C@H](CNc2ccc(-c3nc(C4CC4)no3)cn2)CN1C1CCCC1 C1CCC(C1)[*:1] O=C1C[C@H](CNc2ccc(cn2)-c2nc(no2)C2CC2)CN1[*:1]
O=C1C[C@H](CNc2ccc(-c3nc(C4CC4)no3)cn2)CN1C1CCCC1 C1CC1[*:1] O=C1C[C@H](CNc2ccc(cn2)-c2nc(no2)[*:1])CN1C1CCCC1
O=C1C[C@H](CNc2ccc(-c3nc(C4CC4)no3)cn2)CN1C1CCCC1 C1CC1c1noc(n1)[*:1] O=C1C[C@H](CNc2ccc(cn2)[*:1])CN1C1CCCC1
C[C@H]1[C@H](n2c(/C=C/C3=c4ccccc4=[NH+][C@@H]3C)nc3ccccc3c2=O)C(=O)N(c2ccccc2)N1C c1ccc(cc1)[*:1] C[C@H]1[C@@H](C(=O)N(N1C)[*:1])n1c(/C=C/C2=c3ccccc3=[NH+][C@@H]2C)nc2ccccc2c1=O
C[C@H]1CCCC[C@@]1(NC(=O)N[C@@H]1CCOC1)C(=O)[O-] O=C([O-])[*:1] C[C@H]1CCCC[C@]1(NC(=O)N[C@@H]1CCOC1)[*:1]
C[C@H]1CCCC[C@@]1(NC(=O)N[C@@H]1CCOC1)C(=O)[O-] C1C[C@H](CO1)[*:1] C[C@H]1CCCC[C@@]1(NC(=O)N[*:1])C(=O)[O-]
Cc1ccncc1NC(=O)N[C@@H](C)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] Cc1ccncc1NC(=O)N[C@@H](C)c1nc(no1)[*:1]
Cc1ccncc1NC(=O)N[C@@H](C)c1nc(C2CCCC2)no1 Cc1ccncc1[*:1] C[C@H](NC(=O)N[*:1])c1nc(no1)C1CCCC1
CCCCCCNC(=O)c1c([O-])n(C)c2ccccc2c1=O CCCCC[*:1] Cn1c([O-])c(C(=O)NC[*:1])c(=O)c2ccccc21
CCCCCCNC(=O)c1c([O-])n(C)c2ccccc2c1=O CCCCCC[*:1] Cn1c([O-])c(C(=O)N[*:1])c(=O)c2ccccc21
CCCCCCNC(=O)c1c([O-])n(C)c2ccccc2c1=O CCC[*:1] Cn1c([O-])c(C(=O)NCCC[*:1])c(=O)c2ccccc21
CCCCCCNC(=O)c1c([O-])n(C)c2ccccc2c1=O CCCC[*:1] Cn1c([O-])c(C(=O)NCC[*:1])c(=O)c2ccccc21
CC[C@@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@@H](Nc1cccc(c1)NC(=O)C1CC1)[*:1]
CC[C@@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1 O=C(N[*:1])C1CC1 CC[C@@H](Nc1cccc(c1)[*:1])c1ccc(F)cc1
CC[C@@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1 C1CC1[*:1] CC[C@@H](Nc1cccc(c1)NC(=O)[*:1])c1ccc(F)cc1
CSc1ccc([C@@H]2[C@H]3N=C4C=CC=C[C@H]4[C@@H]3CCN2Cc2[nH]cc[nH+]2)cc1 CSc1ccc(cc1)[*:1] C1C=C[C@@H]2C(C=1)=N[C@H]1[C@H]2CCN(Cc2[nH]cc[nH+]2)[C@@H]1[*:1]
CCOC(=O)[C@@H]1NNC(C(=O)[C@]2(C)CO2)=C1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)[C@@H]1NNC(C(=O)[C@]2(C)CO2)=C1c1cccc(c1)[*:1]
CCOC(=O)[C@@H]1NNC(C(=O)[C@]2(C)CO2)=C1c1cccc([N+](=O)[O-])c1 CCOC(=O)[*:1] C[C@]1(CO1)C(=O)C1NN[C@H](C=1c1cccc(c1)[N+](=O)[O-])[*:1]
CC(C)c1csc(CN2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)n1 CC(C)c1csc(n1)[*:1] CC(C)(C)CN1CCC[C@]2(CCN(C2)C[*:1])C1=O
CC(C)c1csc(CN2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)n1 CC(C)(C)[*:1] CC(C)c1csc(CN2CC[C@]3(CCCN(C[*:1])C3=O)C2)n1
CC(C)c1csc(CN2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)n1 CC(C)[*:1] CC(C)(C)CN1CCC[C@]2(CCN(Cc3nc(cs3)[*:1])C2)C1=O
CC(C)c1csc(CN2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)n1 CC(C)(C)C[*:1] CC(C)c1csc(CN2CC[C@]3(CCCN(C3=O)[*:1])C2)n1
CCCc1noc(CS(=O)(=O)C[C@@H](O)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCCc1noc(CS(=O)(=O)C[C@@H](O)[*:1])n1
CCCc1noc(CS(=O)(=O)C[C@@H](O)c2ccc(Cl)cc2)n1 CCC[*:1] O=S(=O)(Cc1nc(no1)[*:1])C[C@@H](O)c1ccc(Cl)cc1
CCc1ccc([C@H](C)NC(=O)CS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)C[*:1]
CCc1ccc([C@H](C)NC(=O)CS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)[*:1]
CC(=O)N1CCc2cc(N[C@@H](C)C(=O)N[C@H](C)c3ccccc3)ccc21 C[C@H](c1ccccc1)[*:1] CC(=O)N1CCc2cc(ccc21)N[C@@H](C)C(=O)N[*:1]
CC(=O)N1CCc2cc(N[C@@H](C)C(=O)N[C@H](C)c3ccccc3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)N[C@@H](C)C(=O)N[C@H](C)[*:1]
Cc1cncc(NC(=O)Cn2ccc3ccc(Cl)cc32)c1 Cc1cncc(c1)[*:1] O=C(Cn1ccc2ccc(Cl)cc21)N[*:1]
CCOc1ccc(NC(=O)N(C)Cc2ncnn2C)cc1C Cn1ncnc1[*:1] CCOc1ccc(cc1C)NC(=O)N(C)C[*:1]
CCOc1ccc(NC(=O)N(C)Cc2ncnn2C)cc1C Cn1ncnc1C[*:1] CCOc1ccc(cc1C)NC(=O)N(C)[*:1]
CCOc1ccc(NC(=O)N(C)Cc2ncnn2C)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)N(C)Cc1ncnn1C
FC(F)(F)c1cc(Oc2cccc(-c3nnco3)c2)nc(-c2ccccn2)n1 FC(F)(F)[*:1] c1ccc(nc1)-c1nc(cc(n1)[*:1])Oc1cccc(c1)-c1nnco1
FC(F)(F)c1cc(Oc2cccc(-c3nnco3)c2)nc(-c2ccccn2)n1 c1nnc(o1)[*:1] FC(F)(F)c1cc(nc(n1)-c1ccccn1)Oc1cccc(c1)[*:1]
FC(F)(F)c1cc(Oc2cccc(-c3nnco3)c2)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] FC(F)(F)c1cc(nc(n1)[*:1])Oc1cccc(c1)-c1nnco1
O=[N+]([O-])c1ccc(NCC2(N3CCOCC3)CCCCC2)c(S(=O)(=O)N2CCOCC2)c1 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccc(NCC2(CCCCC2)[*:1])c(c1)S(=O)(=O)N1CCOCC1
O=[N+]([O-])c1ccc(NCC2(N3CCOCC3)CCCCC2)c(S(=O)(=O)N2CCOCC2)c1 O=[N+]([O-])[*:1] O=S(=O)(c1cc(ccc1NCC1(CCCCC1)N1CCOCC1)[*:1])N1CCOCC1
O=[N+]([O-])c1ccc(NCC2(N3CCOCC3)CCCCC2)c(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=[N+]([O-])c1ccc(NCC2(CCCCC2)N2CCOCC2)c(c1)[*:1]
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1ccc(o1)-c1ccc(Cl)cc1)S(=O)(=O)[*:1]
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccccc1 Clc1ccc(cc1)[*:1] N#C/C(=C\c1ccc(o1)[*:1])S(=O)(=O)c1ccccc1
C[C@H](NC(=O)CC1CCCCC1)C(=O)NCCc1[nH+]ccn1C C1CCC(CC1)C[*:1] C[C@H](NC(=O)[*:1])C(=O)NCCc1[nH+]ccn1C
C[C@H](NC(=O)CC1CCCCC1)C(=O)NCCc1[nH+]ccn1C C1CCC(CC1)[*:1] C[C@H](NC(=O)C[*:1])C(=O)NCCc1[nH+]ccn1C
CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1C(=O)NC1CC1 C1CC1[*:1] CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1C(=O)N[*:1]
CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1C(=O)NC1CC1 O=C(NC1CC1)[*:1] CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1[*:1]
CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1C(=O)NC1CC1 O=C([O-])[*:1] CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2[*:1])c1C(=O)NC1CC1
COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccccc2C)c(=O)c3=O)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)Cn1nc2N(CCn2c(=O)c1=O)[*:1]
COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccccc2C)c(=O)c3=O)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)N1CCn2c1nn(CC(=O)N[*:1])c(=O)c2=O
COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccccc2C)c(=O)c3=O)cc1 Cc1ccccc1NC(=O)[*:1] COc1ccc(cc1)N1CCn2c1nn(C[*:1])c(=O)c2=O
Cc1cc(C(=O)NCC(F)(F)F)sc1Br FC(F)(F)C[*:1] Cc1cc(sc1Br)C(=O)N[*:1]
Cc1cc(C(=O)NCC(F)(F)F)sc1Br FC(F)(F)[*:1] Cc1cc(sc1Br)C(=O)NC[*:1]
Cc1ccc([S@](=O)[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](c1nc(no1)-c1ccc(Cl)cc1)[S@@](=O)[*:1]
Cc1ccc([S@](=O)[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)[S@](=O)[C@@H](C)c1nc(no1)[*:1]
CC(C)N1CCO[C@H]([C@H]([NH3+])CCC(C)(C)C)C1 CC(C)(C)[*:1] CC(C)N1CCO[C@@H](C1)[C@H]([NH3+])CC[*:1]
CC(C)N1CCO[C@H]([C@H]([NH3+])CCC(C)(C)C)C1 CC(C)[*:1] CC(C)(C)CC[C@@H]([NH3+])[C@@H]1CN(CCO1)[*:1]
CC(C)N1CCO[C@H]([C@H]([NH3+])CCC(C)(C)C)C1 CC(C)(C)C[*:1] CC(C)N1CCO[C@@H](C1)[C@H]([NH3+])C[*:1]
C[C@@H](c1ccccc1F)N(C(=O)N[C@H](C)c1nnc2ccccn12)C1CC1 c1ccn2c(nnc2c1)[*:1] C[C@@H](c1ccccc1F)N(C(=O)N[C@H](C)[*:1])C1CC1
C[C@@H](c1ccccc1F)N(C(=O)N[C@H](C)c1nnc2ccccn12)C1CC1 C1CC1[*:1] C[C@@H](c1ccccc1F)N(C(=O)N[C@H](C)c1nnc2ccccn12)[*:1]
C[C@@H](c1ccccc1F)N(C(=O)N[C@H](C)c1nnc2ccccn12)C1CC1 C[C@@H](c1ccccc1F)[*:1] C[C@@H](NC(=O)N(C1CC1)[*:1])c1nnc2ccccn12
C[C@@H](c1ccccc1F)N(C(=O)N[C@H](C)c1nnc2ccccn12)C1CC1 Fc1ccccc1[*:1] C[C@@H](N(C(=O)N[C@H](C)c1nnc2ccccn12)C1CC1)[*:1]
SCCCOc1ccccc1I SCC[*:1] Ic1ccccc1OC[*:1]
SCCCOc1ccccc1I SCCC[*:1] Ic1ccccc1O[*:1]
CCN(CC)C(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1ccccc1 C1CN(CCO1)[*:1] CCN(CC)C(=O)[C@@H](C)Sc1nnc(n1-c1ccccc1)[*:1]
CCN(CC)C(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1ccccc1 CCN(CC)C(=O)[*:1] C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)[*:1]
CCN(CC)C(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1[*:1]
C[C@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc(-c2ccc(F)cc2)cc1 O=C1CNC(=O)N1CC[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc(-c2ccc(F)cc2)cc1 O=C1CNC(=O)N1[*:1] C[C@H](NC(=O)NCC[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccc(-c2ccc(F)cc2)cc1 O=C1CNC(=O)N1C[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(cc1)-c1ccc(F)cc1
COC(=O)Cc1oc(=O)n(-c2ccccc2)c(=O)c1C(=O)OC COC(=O)[*:1] COC(=O)c1c(C[*:1])oc(=O)n(-c2ccccc2)c1=O
COC(=O)Cc1oc(=O)n(-c2ccccc2)c(=O)c1C(=O)OC c1ccc(cc1)[*:1] COC(=O)Cc1oc(=O)n(c(=O)c1C(=O)OC)[*:1]
COC(=O)Cc1oc(=O)n(-c2ccccc2)c(=O)c1C(=O)OC COC(=O)C[*:1] COC(=O)c1c(oc(=O)n(-c2ccccc2)c1=O)[*:1]
COC(=O)Cc1oc(=O)n(-c2ccccc2)c(=O)c1C(=O)OC COC(=O)[*:1] COC(=O)Cc1oc(=O)n(-c2ccccc2)c(=O)c1[*:1]
C[C@H](COc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1c1ncccn1 c1cnc(nc1)[*:1] C[C@H](COc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1[*:1]
C[C@H](COc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1c1ncccn1 Fc1ccc(cc1)[*:1] C[C@H](CO[*:1])NC(=O)[C@@H]1CCCN1c1ncccn1
C[C@H](COc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1c1ncccn1 Fc1ccc(cc1)O[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1CCCN1c1ncccn1
Cc1nc(C[C@@H](C[NH2+]C(C)(C)C)c2ccc(F)cc2)cs1 Cc1nc(cs1)[*:1] CC(C)(C)[NH2+]C[C@H](C[*:1])c1ccc(F)cc1
Cc1nc(C[C@@H](C[NH2+]C(C)(C)C)c2ccc(F)cc2)cs1 Cc1nc(cs1)C[*:1] CC(C)(C)[NH2+]C[C@@H](c1ccc(F)cc1)[*:1]
Cc1nc(C[C@@H](C[NH2+]C(C)(C)C)c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)C[C@@H](C[NH2+]C(C)(C)C)[*:1]
Cc1nc(C[C@@H](C[NH2+]C(C)(C)C)c2ccc(F)cc2)cs1 CC(C)(C)[*:1] Cc1nc(cs1)C[C@@H](C[NH2+][*:1])c1ccc(F)cc1
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)no4)cc3C)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cc(on1)-c1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)no4)cc3C)CC2)c1 Cc1cc(on1)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1C)[*:1]
C[C@H](NC(=O)NC(CO)CO)c1ccc(Cl)cc1 OCC(CO)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(Cl)cc1
COc1ccc([N+](=O)[O-])cc1CSc1nnc(Cc2csc(C)n2)o1 Cc1nc(cs1)[*:1] COc1ccc(cc1CSc1nnc(C[*:1])o1)[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1CSc1nnc(Cc2csc(C)n2)o1 O=[N+]([O-])[*:1] COc1ccc(cc1CSc1nnc(Cc2csc(C)n2)o1)[*:1]
COc1ccc([N+](=O)[O-])cc1CSc1nnc(Cc2csc(C)n2)o1 Cc1nc(cs1)C[*:1] COc1ccc(cc1CSc1nnc(o1)[*:1])[N+](=O)[O-]
O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Cl)c2ccc3ccccc3c2N1 O=[N+]([O-])[*:1] O=C1C[C@@H](c2cc(ccc2Cl)[*:1])c2ccc3ccccc3c2N1
Cc1cnccc1CCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 CC(C)[*:1] Cc1cnccc1CCNC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1cnccc1CCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 Cc1cnccc1[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NCC[*:1]
Cc1cnccc1CCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 Cc1cnccc1C[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 C=CCNS(=O)(=O)[*:1] CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(cc1)[*:1]
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 C=CC[*:1] CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 Clc1cccc(c1Cl)[*:1] C=CCNS(=O)(=O)c1ccc(cc1)C(=O)N(C)C[*:1]
Cc1cnc(C(C)(C)NC(=O)NCc2ccoc2C)s1 Cc1cnc(s1)[*:1] Cc1occc1CNC(=O)NC(C)(C)[*:1]
Cc1cnc(C(C)(C)NC(=O)NCc2ccoc2C)s1 Cc1occc1[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NC[*:1]
CCC[C@@](C)([NH3+])C[NH2+]C1C(C)(C)C1(C)C CCC[*:1] CC1(C)C([NH2+]C[C@@](C)([NH3+])[*:1])C1(C)C
C[C@](CO)(NC(=O)NCc1cccnc1-n1cncn1)C1CCCCC1 c1ncn(n1)[*:1] C[C@](CO)(NC(=O)NCc1cccnc1[*:1])C1CCCCC1
C[C@](CO)(NC(=O)NCc1cccnc1-n1cncn1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@](CO)(NC(=O)NCc1cccnc1-n1cncn1)[*:1]
CC(C)(C)[NH2+]CC(=O)Nc1ccc(SC(F)F)cc1 CC(C)(C)[*:1] O=C(C[NH2+][*:1])Nc1ccc(cc1)SC(F)F
CC(C)(C)[NH2+]CC(=O)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] CC(C)(C)[NH2+]CC(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)[NH2+]CC(=O)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] CC(C)(C)[NH2+]CC(=O)Nc1ccc(cc1)S[*:1]
Cc1cc(-c2nc([C@H](C)CN(C)C(=O)OC(C)(C)C)no2)nn1C CC(C)(C)[*:1] Cc1cc(nn1C)-c1nc(no1)[C@H](C)CN(C)C(=O)O[*:1]
Cc1cc(-c2nc([C@H](C)CN(C)C(=O)OC(C)(C)C)no2)nn1C Cc1cc(nn1C)[*:1] C[C@H](CN(C)C(=O)OC(C)(C)C)c1noc(n1)[*:1]
CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] CN(C(=O)CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(cc1)[*:1]
CCc1ccc(N(CC)C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cc1 c1cncc(c1)C[*:1] CCc1ccc(cc1)N(CC)C(=O)Cn1nc(c2ccccc2c1=O)[*:1]
CCc1ccc(N(CC)C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cc1 c1cncc(c1)[*:1] CCc1ccc(cc1)N(CC)C(=O)Cn1nc(C[*:1])c2ccccc2c1=O
CCc1ccc(N(CC)C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cc1 CCc1ccc(cc1)[*:1] CCN(C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O)[*:1]
Cc1cc(C(=O)Nc2ccc(C#N)cc2)nc2cc(-c3cccs3)nn12 N#Cc1ccc(cc1)[*:1] Cc1cc(nc2cc(nn12)-c1cccs1)C(=O)N[*:1]
Cc1cc(C(=O)Nc2ccc(C#N)cc2)nc2cc(-c3cccs3)nn12 c1csc(c1)[*:1] Cc1cc(nc2cc(nn12)[*:1])C(=O)Nc1ccc(C#N)cc1
CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)[C@H](C(=O)NC1CCCC1)N(C(=O)[*:1])c1ccc2OCCOc2c1
CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 CCc1ccc(cc1)[*:1] O=C(NC1CCCC1)[C@H](N(C(=O)c1ccco1)c1ccc2OCCOc2c1)[*:1]
CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 c1cc2OCCOc2cc1[*:1] CCc1ccc(cc1)[C@H](C(=O)NC1CCCC1)N(C(=O)c1ccco1)[*:1]
CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 O=C(NC1CCCC1)[*:1] CCc1ccc(cc1)[C@H](N(C(=O)c1ccco1)c1ccc2OCCOc2c1)[*:1]
CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 C1CCC(C1)[*:1] CCc1ccc(cc1)[C@H](C(=O)N[*:1])N(C(=O)c1ccco1)c1ccc2OCCOc2c1
COCCn1c(C)cc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)c1C COCC[*:1] Cc1noc(C)c1CC(=O)N1CCN(CC1)Cc1cc(C)n(c1C)[*:1]
COCCn1c(C)cc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)c1C COC[*:1] Cc1noc(C)c1CC(=O)N1CCN(CC1)Cc1cc(C)n(C[*:1])c1C
COCCn1c(C)cc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)c1C Cc1noc(C)c1C[*:1] COCCn1c(C)cc(CN2CCN(CC2)C(=O)[*:1])c1C
COCCn1c(C)cc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)c1C Cc1noc(C)c1[*:1] COCCn1c(C)cc(CN2CCN(CC2)C(=O)C[*:1])c1C
Cc1c(O[C@@H](C)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 C[C@@H](c1ccccc1)[*:1] Cc1c(ccc2c3CCCc3c(=O)oc12)O[*:1]
Cc1c(O[C@@H](C)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 c1ccc(cc1)[*:1] Cc1c(ccc2c3CCCc3c(=O)oc12)O[C@@H](C)[*:1]
CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccc(O)c3)sc2c1 CCO[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(O)c2)N1c1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccc(O)c3)sc2c1 Oc1cccc(c1)[*:1] CCOc1ccc2nc(sc2c1)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1[*:1]
CCN(Cc1ccccn1)C(=O)c1ccc(OC)c(N)c1 c1ccc(C[*:1])nc1 CCN(C(=O)c1ccc(OC)c(N)c1)[*:1]
CCN(Cc1ccccn1)C(=O)c1ccc(OC)c(N)c1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1ccc(OC)c(N)c1
Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 CC(C)[*:1] Cc1cccc(c1NC(=O)[C@H]1CCN(c2cc(Cl)ccc2O1)S(C)(=O)=O)[*:1]
COC(=O)c1cc(S(=O)(=O)/N=c2/ccc(C)c[nH]2)c[nH]1 COC(=O)[*:1] Cc1cc/c(=N/S(=O)(=O)c2c[nH]c(c2)[*:1])[nH]c1
Cc1ccc2c(CC(=O)N(Cc3ccccc3)Cc3ccccc3)coc2c1 c1ccc(cc1)[*:1] Cc1ccc2c(coc2c1)CC(=O)N(Cc1ccccc1)C[*:1]
Cc1ccc2c(CC(=O)N(Cc3ccccc3)Cc3ccccc3)coc2c1 c1ccc(cc1)C[*:1] Cc1ccc2c(coc2c1)CC(=O)N(Cc1ccccc1)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C CC[C@H](C)C[*:1] C[C@@H](NC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C CC[C@H](C)[*:1] C[C@H](C[*:1])NC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C
CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 CC[C@H](C)[*:1] Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1[*:1]
CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 CC(C)C[*:1] CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 CC(C)[*:1] CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
O=[N+]([O-])c1ccc(Sc2nnc(NCc3ccco3)s2)c(F)c1 c1coc(c1)CN[*:1] O=[N+]([O-])c1ccc(Sc2nnc(s2)[*:1])c(F)c1
O=[N+]([O-])c1ccc(Sc2nnc(NCc3ccco3)s2)c(F)c1 c1coc(c1)C[*:1] O=[N+]([O-])c1ccc(Sc2nnc(N[*:1])s2)c(F)c1
O=[N+]([O-])c1ccc(Sc2nnc(NCc3ccco3)s2)c(F)c1 c1coc(c1)[*:1] O=[N+]([O-])c1ccc(Sc2nnc(NC[*:1])s2)c(F)c1
O=[N+]([O-])c1ccc(Sc2nnc(NCc3ccco3)s2)c(F)c1 O=[N+]([O-])[*:1] Fc1cc(ccc1Sc1nnc(NCc2ccco2)s1)[*:1]
CSc1nc(N(C)CCO)c2sc3c(c2n1)CCCC3 OCC[*:1] CSc1nc(c2sc3CCCCc3c2n1)N(C)[*:1]
CSc1nc(N(C)CCO)c2sc3c(c2n1)CCCC3 CN(CCO)[*:1] CSc1nc(c2sc3CCCCc3c2n1)[*:1]
Cn1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c(-c2cccnc2)n1 Fc1ccccc1[*:1] Cn1cc(c(n1)-c1cccnc1)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
Cn1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c(-c2cccnc2)n1 c1cncc(c1)[*:1] Cn1cc(c(n1)[*:1])S(=O)(=O)N1CCN(CC1)C(=O)Cc1ccccc1F
Cn1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c(-c2cccnc2)n1 Fc1ccccc1C[*:1] Cn1cc(c(n1)-c1cccnc1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccccc1[*:1]
CC(=O)Oc1ccc(C(C)c2ccc(OC(C)=O)cc2)cc1 CC(=O)O[*:1] CC(=O)Oc1ccc(cc1)C(C)c1ccc(cc1)[*:1]
Cn1cccc1C(=O)NNC(=O)COC1CCCC1 Cn1cccc1[*:1] O=C(COC1CCCC1)NNC(=O)[*:1]
Cn1cccc1C(=O)NNC(=O)COC1CCCC1 C1CCC(C1)[*:1] Cn1cccc1C(=O)NNC(=O)CO[*:1]
Cn1cccc1C(=O)NNC(=O)COC1CCCC1 C1CCC(C1)O[*:1] Cn1cccc1C(=O)NNC(=O)C[*:1]
CC(=O)Nc1cccc(-n2cnn(CN3CCO[C@H]4CCCC[C@@H]43)c2=S)c1 CC(=O)N[*:1] S=c1n(cnn1CN1CCO[C@H]2CCCC[C@@H]21)-c1cccc(c1)[*:1]
CO[C@@H](C)c1cccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 CO[C@@H](C)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCCC[C@H]1c1[nH]cc[nH+]1
O=[S@](Cc1ccon1)Cc1cc(-c2cccs2)on1 c1cc(no1)[*:1] O=[S@@](Cc1cc(on1)-c1cccs1)C[*:1]
O=[S@](Cc1ccon1)Cc1cc(-c2cccs2)on1 c1csc(c1)[*:1] O=[S@](Cc1ccon1)Cc1cc(on1)[*:1]
O=[S@](Cc1ccon1)Cc1cc(-c2cccs2)on1 c1cc(C[*:1])no1 O=[S@](Cc1cc(on1)-c1cccs1)[*:1]
CC[C@@H](C)C[C@@]1(CC)NC(=O)NC1=N CC[C@@H](C)[*:1] CC[C@]1(C[*:1])NC(=O)NC1=N
CCc1noc([C@H]2CCCN(C(=O)c3sccc3C)C2)n1 Cc1ccsc1[*:1] CCc1noc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
CCc1noc([C@H]2CCCN(C(=O)c3sccc3C)C2)n1 CCc1noc(n1)[*:1] Cc1ccsc1C(=O)N1CCC[C@@H](C1)[*:1]
O=C(Cn1ncc2ccccc2c1=O)Oc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(Cn1ncc2ccccc2c1=O)Oc1cccc(c1)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccncc1)C2=O O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccncc1
O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccncc1)C2=O O=[N+]([O-])c1cccc(c1)[*:1] O=C1c2ccc(cc2C(=O)N1c1ccncc1)C(=O)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccncc1)C2=O c1cc(ccn1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])c1ccc2C(=O)N(C(=O)c2c1)[*:1]
Cc1cccc(OC[C@H](C)NS(=O)(=O)c2ccc(CC#N)cc2)c1 Cc1cccc(c1)O[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1ccc(cc1)CC#N
Cc1cccc(OC[C@H](C)NS(=O)(=O)c2ccc(CC#N)cc2)c1 Cc1cccc(c1)[*:1] C[C@@H](CO[*:1])NS(=O)(=O)c1ccc(cc1)CC#N
Cc1cccc(OC[C@H](C)NS(=O)(=O)c2ccc(CC#N)cc2)c1 N#CC[*:1] Cc1cccc(c1)OC[C@H](C)NS(=O)(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1sc2ncnc(N3CCN(c4nnnn4-c4ccccc4)CC3)c2c1C c1ccc(cc1)[*:1] CCOC(=O)c1sc2ncnc(c2c1C)N1CCN(CC1)c1nnnn1[*:1]
CCOC(=O)c1sc2ncnc(N3CCN(c4nnnn4-c4ccccc4)CC3)c2c1C CCOC(=O)[*:1] Cc1c(sc2ncnc(c12)N1CCN(CC1)c1nnnn1-c1ccccc1)[*:1]
CSc1cccc([N-]S(=O)(=O)c2ccc(C3=NN=C(C(F)(F)F)C3)s2)c1 CSc1cccc(c1)[*:1] O=S(=O)([N-][*:1])c1ccc(s1)C1CC(=NN=1)C(F)(F)F
CSc1cccc([N-]S(=O)(=O)c2ccc(C3=NN=C(C(F)(F)F)C3)s2)c1 FC(F)(F)[*:1] CSc1cccc(c1)[N-]S(=O)(=O)c1ccc(s1)C1CC(=NN=1)[*:1]
Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 c1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccccc3O)c21)C(=O)NN[*:1]
Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 O=C(NNc1ccccc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccccc3O)c21)[*:1]
Cc1c(C(=O)NNc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 Oc1ccccc1[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)NNc1ccccc1
CCCNc1ncnc2c1cnn2CCNC(=O)c1cc(Br)ccc1Cl Clc1ccc(Br)cc1[*:1] CCCNc1ncnc2c1cnn2CCNC(=O)[*:1]
CCCNc1ncnc2c1cnn2CCNC(=O)c1cc(Br)ccc1Cl CCCN[*:1] O=C(NCCn1ncc2c(ncnc21)[*:1])c1cc(Br)ccc1Cl
CCCNc1ncnc2c1cnn2CCNC(=O)c1cc(Br)ccc1Cl CCC[*:1] O=C(NCCn1ncc2c(ncnc21)N[*:1])c1cc(Br)ccc1Cl
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccccc2I)CC1 Ic1ccccc1[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1NC(=O)[*:1])C(=O)OC
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccccc2I)CC1 COC(=O)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1I)[*:1]
CCS(=O)(=O)N(C)c1ccc2sc(C(=O)N3CCOCC3)cc2c1 CCS(=O)(=O)N(C)[*:1] O=C(c1cc2cc(ccc2s1)[*:1])N1CCOCC1
CCS(=O)(=O)N(C)c1ccc2sc(C(=O)N3CCOCC3)cc2c1 O=C(N1CCOCC1)[*:1] CCS(=O)(=O)N(C)c1ccc2sc(cc2c1)[*:1]
Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc(C2CC2)nc2c1c(=O)nc([O-])n2C1CC1 C1CC1[*:1] Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc(nc2c1c(=O)nc([O-])n2[*:1])C1CC1
Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc(C2CC2)nc2c1c(=O)nc([O-])n2C1CC1 Cc1nn(C)c(C)c1[*:1] C[C@H](Sc1nc(nc2c1c(=O)nc([O-])n2C1CC1)C1CC1)C(=O)N[*:1]
Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc(C2CC2)nc2c1c(=O)nc([O-])n2C1CC1 C1CC1[*:1] Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc(nc2c1c(=O)nc([O-])n2C1CC1)[*:1]
Cc1c(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)cc(C#N)n1C Fc1ccc(c(F)c1)[*:1] Cc1c(cc(C#N)n1C)C[NH2+]C1(CCCC1)[*:1]
O=C(NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1)c1ccc(C(F)(F)F)cc1 Clc1ccccc1[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)[*:1])c1ccc(cc1)C(F)(F)F
O=C(NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)c1ccccc1Cl)c1ccc(cc1)[*:1]
O=C(NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1)c1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)c1ccccc1Cl)[*:1]
CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1nc(C)c(C)[nH]c1=O CCC[*:1] Cc1nc(C(=O)N(C[C@H]2COc3ccccc3O2)[*:1])c(=O)[nH]c1C
Cc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])N1CCC[C@H](C1)[NH+]1CCCC1
CCSC[C@@H](C)N(C)C(=O)c1cnn(Cc2ccccc2Cl)c1 CCSC[*:1] C[C@@H](N(C)C(=O)c1cnn(c1)Cc1ccccc1Cl)[*:1]
CCSC[C@@H](C)N(C)C(=O)c1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] CCSC[C@@H](C)N(C)C(=O)c1cnn(c1)C[*:1]
CCSC[C@@H](C)N(C)C(=O)c1cnn(Cc2ccccc2Cl)c1 CCS[*:1] C[C@H](C[*:1])N(C)C(=O)c1cnn(c1)Cc1ccccc1Cl
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)NCc1ccccc1 Fc1ccc(cc1)[*:1] O=C(COC(=O)[C@H]1CC(=O)N(C1)[*:1])NCc1ccccc1
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(COC(=O)[C@H]1CC(=O)N(C1)c1ccc(F)cc1)N[*:1]
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(COC(=O)[C@H]1CC(=O)N(C1)c1ccc(F)cc1)NC[*:1]
CCC[C@@H]1C[NH2+]C(CC)(CC)CN1Cc1cccc(O)c1 CCC[*:1] CCC1(CC)CN(Cc2cccc(O)c2)[C@@H](C[NH2+]1)[*:1]
CCC[C@@H]1C[NH2+]C(CC)(CC)CN1Cc1cccc(O)c1 Oc1cccc(c1)[*:1] CCC[C@@H]1C[NH2+]C(CC)(CC)CN1C[*:1]
C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@@H]([NH2+]CC1(CCCCC1)N1CCOCC1)C(=O)NC[*:1]
C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)NCC(F)(F)F C1CN(CCO1)[*:1] C[C@@H]([NH2+]CC1(CCCCC1)[*:1])C(=O)NCC(F)(F)F
C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] C[C@@H]([NH2+]CC1(CCCCC1)N1CCOCC1)[*:1]
C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@@H]([NH2+]CC1(CCCCC1)N1CCOCC1)C(=O)N[*:1]
CSC[C@H](C)CN1C(=O)[C@@H]2CCCCN2C(=O)[C@H]1C CSC[*:1] C[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1C[C@@H](C)[*:1]
CSC[C@H](C)CN1C(=O)[C@@H]2CCCCN2C(=O)[C@H]1C CSC[C@H](C)C[*:1] C[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1[*:1]
CSC[C@H](C)CN1C(=O)[C@@H]2CCCCN2C(=O)[C@H]1C CSC[C@H](C)[*:1] C[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1C[*:1]
CCC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] CCC[C@@H](C)NC(=O)c1cn(nc1-c1cccnc1)[*:1]
CCC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 CCC[C@@H](C)NC(=O)[*:1] c1ccc(cc1)-n1cc(c(n1)-c1cccnc1)[*:1]
CCC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] CCC[C@@H](C)NC(=O)c1cn(nc1[*:1])-c1ccccc1
CCC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 CCC[C@@H](C)[*:1] O=C(N[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
CCC[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 CCC[*:1] C[C@@H](NC(=O)c1cn(nc1-c1cccnc1)-c1ccccc1)[*:1]
CCN(CCC#N)C(=O)c1ccc(Br)cc1N N#CCC[*:1] CCN(C(=O)c1ccc(Br)cc1N)[*:1]
CCN(CCC#N)C(=O)c1ccc(Br)cc1N N#CC[*:1] CCN(C[*:1])C(=O)c1ccc(Br)cc1N
CCOC(=O)c1cc(=O)[nH]c2nn(C(C)C)c(C)c12 CCOC(=O)[*:1] Cc1c2c(cc(=O)[nH]c2nn1C(C)C)[*:1]
CCOC(=O)c1cc(=O)[nH]c2nn(C(C)C)c(C)c12 CC(C)[*:1] CCOC(=O)c1cc(=O)[nH]c2nn(c(C)c12)[*:1]
CCn1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cn1 CCn1cc(cn1)[*:1] O=C(N1CCC[C@H](C1)c1nc2ccccc2o1)[*:1]
CCOc1ccc(-c2cncnc2)cc1 CCO[*:1] c1ncc(cn1)-c1ccc(cc1)[*:1]
COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCc3ccc(-n4cccn4)cc3)nnc12 COc1ccccc1[*:1] O=c1c2ccccc2n2c(nnc2n1C[*:1])SCc1ccc(cc1)-n1cccn1
COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCc3ccc(-n4cccn4)cc3)nnc12 c1cnn(c1)-c1ccc(cc1)[*:1] COc1ccccc1Cn1c(=O)c2ccccc2n2c(nnc12)SC[*:1]
COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCc3ccc(-n4cccn4)cc3)nnc12 COc1ccccc1C[*:1] O=c1c2ccccc2n2c(nnc2n1[*:1])SCc1ccc(cc1)-n1cccn1
COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCc3ccc(-n4cccn4)cc3)nnc12 c1cnn(c1)-c1ccc(cc1)C[*:1] COc1ccccc1Cn1c(=O)c2ccccc2n2c(nnc12)S[*:1]
COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCc3ccc(-n4cccn4)cc3)nnc12 c1cnn(c1)[*:1] COc1ccccc1Cn1c(=O)c2ccccc2n2c(nnc12)SCc1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)Nc1c2CSCc2nn1[*:1]
Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1c2CSCc2nn1-c1cccc(Cl)c1)[*:1]
CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCc3ccc(C)cc3)c(Br)c2)S1 Cc1ccc(cc1)CO[*:1] CC(=O)NC1=NN(C(C)=O)[C@@H](S1)c1ccc(c(Br)c1)[*:1]
CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCc3ccc(C)cc3)c(Br)c2)S1 Cc1ccc(cc1)C[*:1] CC(=O)NC1=NN(C(C)=O)[C@@H](S1)c1ccc(O[*:1])c(Br)c1
CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCc3ccc(C)cc3)c(Br)c2)S1 Cc1ccc(cc1)[*:1] CC(=O)NC1=NN(C(C)=O)[C@@H](S1)c1ccc(OC[*:1])c(Br)c1
CN1C(=O)C[C@@H](NC(=O)N[C@@]2(C)CCOC2)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)N[C@@]2(C)CCOC2)[C@@H]1[*:1]
CCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc32)cc1OC CCC[*:1] COc1cc(/C=C2\C(=O)N(Cc3ccc4OCOc4c3)C(=O)c3ccccc32)ccc1O[*:1]
CCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc32)cc1OC c1cc2OCOc2cc1[*:1] CCCOc1ccc(/C=C2\C(=O)N(C[*:1])C(=O)c3ccccc32)cc1OC
CCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc32)cc1OC CCCO[*:1] COc1cc(/C=C2\C(=O)N(Cc3ccc4OCOc4c3)C(=O)c3ccccc32)ccc1[*:1]
CCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc32)cc1OC c1cc2OCOc2cc1C[*:1] CCCOc1ccc(/C=C2\C(=O)N(C(=O)c3ccccc32)[*:1])cc1OC
O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)c1 C1CC1[*:1] O=[N+]([O-])c1cnn(c1)CC[NH2+][C@H](c1ccc(Br)cc1)[*:1]
O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)c1 O=[N+]([O-])[*:1] Brc1ccc(cc1)[C@@H]([NH2+]CCn1cc(cn1)[*:1])C1CC1
O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)c1 Brc1ccc(cc1)[*:1] O=[N+]([O-])c1cnn(c1)CC[NH2+][C@H](C1CC1)[*:1]
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)c1C Fc1ccc(cc1)[*:1] CCOC(=O)c1cc(n(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)c1C)[*:1]
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)c1C CCOC(=O)[*:1] Cc1c(cc(-c2ccc(F)cc2)n1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl)[*:1]
Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)S(=O)(=O)NC[C@@H](C)[*:1]
O=C(Nc1ccc(F)cc1OCC1CC1)c1ccco1 C1CC1C[*:1] O=C(Nc1ccc(F)cc1O[*:1])c1ccco1
O=C(Nc1ccc(F)cc1OCC1CC1)c1ccco1 C1CC1[*:1] O=C(Nc1ccc(F)cc1OC[*:1])c1ccco1
O=C(Nc1ccc(F)cc1OCC1CC1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(F)cc1OCC1CC1)[*:1]
O=C(Nc1ccc(F)cc1OCC1CC1)c1ccco1 C1CC1CO[*:1] O=C(Nc1ccc(F)cc1[*:1])c1ccco1
CCOC(=O)C1=C(C)[C@@H](C(=O)Nc2ccccc2OC)C(C)=N1 CCOC(=O)[*:1] COc1ccccc1NC(=O)[C@H]1C(C)=NC(=C1C)[*:1]
CCCN1C(=O)NC(=N)[C@]12CCCc1cc(OC)ccc12 CCC[*:1] COc1ccc2c(c1)CCC[C@]21C(=N)NC(=O)N1[*:1]
COc1ccc(NC(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)NC(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
COc1ccc(NC(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)N[*:1])c1ccco1
COc1ccc(NC(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1 O=C(N[*:1])c1ccco1 COc1ccc(cc1)NC(=O)N1CCc2nc(sc2C1)[*:1]
CC(C)(C)N1C[C@@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1=O CC(C)(C)[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
CCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(C)c(Cl)c1 CCNC(=O)[*:1] Cc1ccc(cc1Cl)S(=O)(=O)N(C)c1ccsc1[*:1]
CC(C)(C)[C@H]([NH3+])CC[C@H]1CCCN(S(C)(=O)=O)C1 CC(C)(C)[*:1] CS(=O)(=O)N1CCC[C@H](CC[C@@H]([NH3+])[*:1])C1
Cc1c(NC(=S)NC2CCCCC2)c(=O)n(-c2ccccc2)n1C C1CCC(CC1)[*:1] Cc1c(NC(=S)N[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=S)NC2CCCCC2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=S)NC2CCCCC2)c(=O)n(n1C)[*:1]
Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1-c1ccccc1 Cc1occc1[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1[*:1]
Cc1cn2c(=O)c(C(=O)N(CC3CC3)[C@@H](C)c3ccccc3)cnc2s1 c1ccc(cc1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N(CC1CC1)[C@@H](C)[*:1]
Cc1cn2c(=O)c(C(=O)N(CC3CC3)[C@@H](C)c3ccccc3)cnc2s1 C1CC1[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N(C[*:1])[C@@H](C)c1ccccc1
Cc1cn2c(=O)c(C(=O)N(CC3CC3)[C@@H](C)c3ccccc3)cnc2s1 C1CC1C[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N([C@@H](C)c1ccccc1)[*:1]
Cc1cn2c(=O)c(C(=O)N(CC3CC3)[C@@H](C)c3ccccc3)cnc2s1 C[C@@H](c1ccccc1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N(CC1CC1)[*:1]
C=CCSc1ccccc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 C=CCS[*:1] O=C(Cn1nnc(n1)-c1ccc(Cl)cc1)Nc1ccccc1[*:1]
C=CCSc1ccccc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] C=CCSc1ccccc1NC(=O)Cn1nnc(n1)[*:1]
C=CCSc1ccccc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 C=CC[*:1] O=C(Cn1nnc(n1)-c1ccc(Cl)cc1)Nc1ccccc1S[*:1]
COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1[*:1]
COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CC(C)C)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)/N=C1\S[C@@H](CC(=O)N[*:1])C(=O)N1CC(C)C
COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1C[*:1]
COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CC(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=N[*:1]
COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2CC(C)C)cc1 O=C(Nc1ccc(F)cc1)[*:1] COc1ccc(cc1)/N=C1\S[C@@H](C[*:1])C(=O)N1CC(C)C
CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccc(Cl)cc2)c1C CCOC(=O)[*:1] Cc1c(sc(NC(=O)c2ccccc2)c1[*:1])C(=O)Nc1ccc(Cl)cc1
CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)N[*:1])c1C
CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccc(Cl)cc2)c1C c1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc(C(=O)Nc2ccc(Cl)cc2)c1C
CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccc(Cl)cc2)c1C O=C(Nc1ccc(Cl)cc1)[*:1] CCOC(=O)c1c(NC(=O)c2ccccc2)sc(c1C)[*:1]
CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccc(Cl)cc2)c1C O=C(N[*:1])c1ccccc1 CCOC(=O)c1c(sc(C(=O)Nc2ccc(Cl)cc2)c1C)[*:1]
CCC[NH2+]CCC(C)(C)c1cc(C)oc1C CCC[*:1] Cc1cc(c(C)o1)C(C)(C)CC[NH2+][*:1]
O=C(OC[C@@H](O)[C@@H](O)C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] O=C(OC[C@@H](O)[C@@H](O)[*:1])c1ccccc1
O=C(OC[C@@H](O)[C@@H](O)C(F)(F)F)c1ccccc1 O[C@@H](C(F)(F)F)[*:1] O=C(OC[C@@H](O)[*:1])c1ccccc1
O=C(OC[C@@H](O)[C@@H](O)C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] O=C(OC[C@@H](O)[C@@H](O)C(F)(F)F)[*:1]
CN(c1cccc(C(=O)NCc2ccc(F)cc2)c1)S(C)(=O)=O Fc1ccc(cc1)[*:1] CN(c1cccc(c1)C(=O)NC[*:1])S(C)(=O)=O
CN(c1cccc(C(=O)NCc2ccc(F)cc2)c1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(NCc1ccc(F)cc1)c1cccc(c1)[*:1]
COc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3nc(C4CC4)sc3n2)c1 C1CC1[*:1] COc1cccc(c1)C(=O)Nc1ccccc1SCc1cc(=O)n2nc(sc2n1)[*:1]
COc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3nc(C4CC4)sc3n2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccccc1SCc1cc(=O)n2nc(sc2n1)C1CC1)[*:1]
CN(C)C(=O)Oc1cccc(OCc2n(C)c3ccccc3[n+]2C)c1 CN(C)C(=O)O[*:1] Cn1c(COc2cccc(c2)[*:1])[n+](C)c2ccccc21
O=C(CN1CCn2nc(-c3ccc(Cl)cc3)cc2C1=O)NCc1cccs1 O=C(NCc1cccs1)[*:1] O=C1c2cc(nn2CCN1C[*:1])-c1ccc(Cl)cc1
O=C(CN1CCn2nc(-c3ccc(Cl)cc3)cc2C1=O)NCc1cccs1 c1csc(c1)C[*:1] O=C(CN1CCn2nc(cc2C1=O)-c1ccc(Cl)cc1)N[*:1]
O=C(CN1CCn2nc(-c3ccc(Cl)cc3)cc2C1=O)NCc1cccs1 Clc1ccc(cc1)[*:1] O=C(CN1CCn2nc(cc2C1=O)[*:1])NCc1cccs1
O=C(CN1CCn2nc(-c3ccc(Cl)cc3)cc2C1=O)NCc1cccs1 c1csc(c1)[*:1] O=C(CN1CCn2nc(cc2C1=O)-c1ccc(Cl)cc1)NC[*:1]
COc1cc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc(OC)c1OC Brc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)Cn1nc(ccc1=O)[*:1]
Cn1cnnc1CCNC(=O)c1cc2c(F)cccc2[nH]1 Cn1cnnc1[*:1] O=C(NCC[*:1])c1cc2c(F)cccc2[nH]1
Cn1cnnc1CCNC(=O)c1cc2c(F)cccc2[nH]1 Cn1cnnc1C[*:1] O=C(NC[*:1])c1cc2c(F)cccc2[nH]1
COCCn1cc(CC(=O)NCc2c(C)nn(C)c2C)c2ccccc21 Cc1nn(C)c(C)c1[*:1] COCCn1cc(CC(=O)NC[*:1])c2ccccc21
COCCn1cc(CC(=O)NCc2c(C)nn(C)c2C)c2ccccc21 COC[*:1] Cc1nn(C)c(C)c1CNC(=O)Cc1cn(C[*:1])c2ccccc12
COCCn1cc(CC(=O)NCc2c(C)nn(C)c2C)c2ccccc21 COCC[*:1] Cc1nn(C)c(C)c1CNC(=O)Cc1cn(c2ccccc12)[*:1]
C[C@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccccc1[N+](=O)[O-] Fc1cccc(c1)[*:1] C[C@H](N[C@@H](c1ccccn1)[*:1])c1ccccc1[N+](=O)[O-]
C[C@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccccc1[N+](=O)[O-] c1ccc(nc1)[*:1] C[C@H](N[C@@H](c1cccc(F)c1)[*:1])c1ccccc1[N+](=O)[O-]
C[C@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccccc1[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC[C@H](c2cn[nH]c2)C1 CC(C)(C)[*:1] O=C(Nc1ccnn1[*:1])C(=O)N1CCC[C@@H](C1)c1cn[nH]c1
CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC[C@H](c2cn[nH]c2)C1 c1n[nH]cc1[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
N#Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 N#Cc1cccc(c1)[*:1] O=S(=O)(Nc1ccc2OC3(CCCC3)Oc2c1)[*:1]
C[C@@H]1C[C@H]1C(=O)Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1 C[C@@H]1C[C@H]1C(=O)N[*:1] O=c1[nH]cnc2c1cnn2-c1ccc(cc1)[*:1]
CN(CCOc1ccccc1F)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CCOc1ccccc1F)C(=O)[*:1]
O=C(Cn1ccccc1=O)Nc1ccccc1OC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1ccccc1=O)Nc1ccccc1O[*:1]
O=C(Cn1ccccc1=O)Nc1ccccc1OC1CCCC1 O=c1ccccn1[*:1] O=C(C[*:1])Nc1ccccc1OC1CCCC1
O=C(Cn1ccccc1=O)Nc1ccccc1OC1CCCC1 C1CCC(C1)O[*:1] O=C(Cn1ccccc1=O)Nc1ccccc1[*:1]
Cc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)c1 Fc1ccccc1C[*:1] Cc1cc(C)cc(c1)-n1c(=O)c2ccccc2n(c1=O)[*:1]
Cc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)c1 Fc1ccccc1[*:1] Cc1cc(C)cc(c1)-n1c(=O)c2ccccc2n(C[*:1])c1=O
Cc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)c1 Cc1cc(C)cc(c1)[*:1] O=c1c2ccccc2n(Cc2ccccc2F)c(=O)n1[*:1]
Cc1ccc(C(=O)NCCNC(=O)c2ccc(Cl)s2)cc1F Clc1ccc(s1)[*:1] Cc1ccc(cc1F)C(=O)NCCNC(=O)[*:1]
CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CC CCO[*:1] CCC(=O)N1c2ccc(cc2[C@H](C)CC1(C)C)[*:1]
Nc1c([N+](=O)[O-])cnn1-c1ccccc1 O=[N+]([O-])[*:1] Nc1c(cnn1-c1ccccc1)[*:1]
Cc1cnc([C@H](NC(=O)N(C)Cc2ccccc2F)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H](NC(=O)N(C)Cc1ccccc1F)[*:1]
Cc1cnc([C@H](NC(=O)N(C)Cc2ccccc2F)C2CC2)s1 Cc1cnc(s1)[*:1] CN(Cc1ccccc1F)C(=O)N[C@H](C1CC1)[*:1]
Cc1cnc([C@H](NC(=O)N(C)Cc2ccccc2F)C2CC2)s1 Fc1ccccc1[*:1] Cc1cnc(s1)[C@H](NC(=O)N(C)C[*:1])C1CC1
O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 O=c1ccn(c(=O)[nH]1)[*:1] O=C(CC[*:1])Nc1ccc2OCC[C@@H]3CCCCN3C(=O)c2c1
O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 O=c1ccn(CC[*:1])c(=O)[nH]1 O=C1c2cc(ccc2OCC[C@@H]2CCCCN12)NC(=O)[*:1]
O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 O=c1ccn(C[*:1])c(=O)[nH]1 O=C(C[*:1])Nc1ccc2OCC[C@@H]3CCCCN3C(=O)c2c1
C[C@@H](C(=O)N1CCCC1)N1CCN(CCC#N)CC1 N#CCC[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(CCC#N)CC1 N#CC[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C[*:1]
Cc1cc(C)n(-c2cncc(NCc3ccnc(OCC(F)F)c3)n2)n1 Cc1cc(C)n(n1)[*:1] FC(F)COc1cc(ccn1)CNc1cncc(n1)[*:1]
Cc1cc(C)n(-c2cncc(NCc3ccnc(OCC(F)F)c3)n2)n1 FC(F)C[*:1] Cc1cc(C)n(n1)-c1cncc(n1)NCc1ccnc(c1)O[*:1]
Cc1cc(C)n(-c2cncc(NCc3ccnc(OCC(F)F)c3)n2)n1 FC(F)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)NCc1ccnc(c1)OC[*:1]
Cc1cc(C)n(-c2cncc(NCc3ccnc(OCC(F)F)c3)n2)n1 FC(F)CO[*:1] Cc1cc(C)n(n1)-c1cncc(n1)NCc1ccnc(c1)[*:1]
CN(C(=O)Nc1ccc(F)cc1F)[C@H](c1cccc(F)c1)c1ccccn1 c1ccc(nc1)[*:1] CN(C(=O)Nc1ccc(F)cc1F)[C@H](c1cccc(F)c1)[*:1]
CN(C(=O)Nc1ccc(F)cc1F)[C@H](c1cccc(F)c1)c1ccccn1 Fc1ccc(c(F)c1)[*:1] CN(C(=O)N[*:1])[C@H](c1cccc(F)c1)c1ccccn1
CN(C(=O)Nc1ccc(F)cc1F)[C@H](c1cccc(F)c1)c1ccccn1 Fc1cccc(c1)[*:1] CN(C(=O)Nc1ccc(F)cc1F)[C@H](c1ccccn1)[*:1]
O=C(COc1ccc2oc3c(c2c1)CCCC3)OCc1nc2ccccc2o1 c1ccc2oc(nc2c1)[*:1] O=C(COc1ccc2oc3CCCCc3c2c1)OC[*:1]
CCN(CCS(C)(=O)=O)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 CS(=O)(=O)CC[*:1] CCN(Cc1nc(cs1)-c1cc(Cl)ccc1Cl)[*:1]
CCN(CCS(C)(=O)=O)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 CS(=O)(=O)[*:1] CCN(CC[*:1])Cc1nc(cs1)-c1cc(Cl)ccc1Cl
CCN(CCS(C)(=O)=O)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 CS(=O)(=O)C[*:1] CCN(Cc1nc(cs1)-c1cc(Cl)ccc1Cl)C[*:1]
Cc1noc(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2)n1 Cc1noc(n1)[*:1] O=C(NC[*:1])[C@H]1C[C@H]1c1cccc(F)c1
C[C@H](Oc1ccccc1NC(=O)c1ccncc1F)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1NC(=O)c1ccncc1F)[*:1]
C[C@H](Oc1ccccc1NC(=O)c1ccncc1F)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(Nc1ccccc1O[*:1])c1ccncc1F
C[C@H](Oc1ccccc1NC(=O)c1ccncc1F)c1ccccc1 Fc1cnccc1[*:1] C[C@H](Oc1ccccc1NC(=O)[*:1])c1ccccc1
CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 CNC(=O)[*:1] Cc1ccc(NC(=O)c2ccc(C)c(c2)[N+](=O)[O-])c(c1)[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(C)c(c1)[*:1]
CCc1ccc(NC(=O)[C@@H](C)[S@](=O)c2nncn2C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)NC(=O)[C@@H](C)[S@](=O)c1nncn1[*:1]
CCCCN(CCCC)C(=O)c1ccccn1 CCC[*:1] CCCCN(C[*:1])C(=O)c1ccccn1
CCCCN(CCCC)C(=O)c1ccccn1 CCCC[*:1] CCCCN(C(=O)c1ccccn1)[*:1]
S=c1sc(N2CCOCC2)nn1CN1CCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] S=c1sc(nn1CN1CCC[C@@H]1[*:1])N1CCOCC1
S=c1sc(N2CCOCC2)nn1CN1CCC[C@H]1c1ccccc1 C1CN(CCO1)[*:1] S=c1sc(nn1CN1CCC[C@H]1c1ccccc1)[*:1]
Cc1cc(O[C@H](C)C(=O)N2CCC(c3n[nH]c4nccnc34)CC2)cc(C)c1Cl c1cnc2c(n[nH]c2n1)[*:1] Cc1cc(cc(C)c1Cl)O[C@H](C)C(=O)N1CCC(CC1)[*:1]
Cc1cc(O[C@H](C)C(=O)N2CCC(c3n[nH]c4nccnc34)CC2)cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] C[C@@H](O[*:1])C(=O)N1CCC(CC1)c1n[nH]c2nccnc12
O=c1nc(/C=C/c2ccc(-c3cccc(F)c3)o2)cc(C(F)(F)F)[nH]1 Fc1cccc(c1)[*:1] O=c1nc(/C=C/c2ccc(o2)[*:1])cc([nH]1)C(F)(F)F
O=c1nc(/C=C/c2ccc(-c3cccc(F)c3)o2)cc(C(F)(F)F)[nH]1 FC(F)(F)[*:1] O=c1nc(/C=C/c2ccc(o2)-c2cccc(F)c2)cc([nH]1)[*:1]
CC[C@H]1C(=O)N[C@H](CC)C(=O)N1Cc1sccc1C Cc1ccsc1[*:1] CC[C@H]1C(=O)N[C@H](CC)C(=O)N1C[*:1]
CCNC(=S)N1CCC[C@H](C(N)=O)C1 NC(=O)[*:1] CCNC(=S)N1CCC[C@H](C1)[*:1]
C[C@H]1SCCN(Cc2cnc(C3CC3)s2)[C@@H]1C C1CC1[*:1] C[C@H]1SCCN(Cc2cnc(s2)[*:1])[C@@H]1C
CNS(=O)(=O)c1cccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 CNS(=O)(=O)[*:1] COc1cc2c(cc1NC(=O)c1cccc(c1)[*:1])oc1ccccc12
COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1cccc(Br)c1 Cc1cc([nH]n1)[*:1] COc1cc(/C=N/NC(=O)[*:1])ccc1OC(=O)c1cccc(Br)c1
COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)[*:1]
Cc1ccc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cccc23)cc1 Cc1ccc(cc1)[*:1] Cc1cc(SCC(=O)NN=C[*:1])c2cccc(C)c2n1
CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(Cc1cnc[nH]c1=O)N1CC[C@]2(CCCN(CCO)C2=O)C1 O=c1[nH]cncc1C[*:1] O=C1N(CCO)CCC[C@]12CCN(C2)C(=O)[*:1]
O=C(Cc1cnc[nH]c1=O)N1CC[C@]2(CCCN(CCO)C2=O)C1 OCC[*:1] O=C(Cc1cnc[nH]c1=O)N1CC[C@]2(CCCN(C2=O)[*:1])C1
O=C(Cc1cnc[nH]c1=O)N1CC[C@]2(CCCN(CCO)C2=O)C1 O=c1[nH]cncc1[*:1] O=C(C[*:1])N1CC[C@]2(CCCN(CCO)C2=O)C1
C=C(C(=O)[O-])[C@@H]1CC[C@]2(C)CCCC(=C)[C@H]2[C@H]1O C=C(C(=O)[O-])[*:1] C=C1CCC[C@@]2(C)CC[C@H]([C@H](O)[C@H]12)[*:1]
C=C(C(=O)[O-])[C@@H]1CC[C@]2(C)CCCC(=C)[C@H]2[C@H]1O O=C([O-])[*:1] C=C1CCC[C@@]2(C)CC[C@@H](C(=C)[*:1])[C@H](O)[C@H]12
Cc1ccc(C[NH2+]CCc2ccccn2)cc1C c1ccc(nc1)[*:1] Cc1ccc(cc1C)C[NH2+]CC[*:1]
CCCCOCc1cnc(NN)s1 CCCC[*:1] NNc1ncc(CO[*:1])s1
CCCCOCc1cnc(NN)s1 CCC[*:1] NNc1ncc(COC[*:1])s1
CSCc1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1 CSC[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccc(cc1)[*:1]
CCCNC(=O)CN1CCO[C@H]2CCCC[C@@H]21 CCC[*:1] O=C(CN1CCO[C@H]2CCCC[C@@H]21)N[*:1]
CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cc2C[C@H]1C c1cn2cc(nc2s1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1csc([C@H](NC(=O)[C@@H](C)c2ccc3ccccc3c2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)[*:1]
Cc1csc([C@H](NC(=O)[C@@H](C)c2ccc3ccccc3c2)C2CC2)n1 Cc1csc(n1)[*:1] C[C@H](C(=O)N[C@H](C1CC1)[*:1])c1ccc2ccccc2c1
C[C@H]1CCN(C(=O)CSCC(F)(F)F)c2ccccc2S1 FC(F)(F)[*:1] C[C@H]1CCN(C(=O)CSC[*:1])c2ccccc2S1
C[C@H]1CCN(C(=O)CSCC(F)(F)F)c2ccccc2S1 FC(F)(F)CSC[*:1] C[C@H]1CCN(C(=O)[*:1])c2ccccc2S1
C[C@H]1CCN(C(=O)CSCC(F)(F)F)c2ccccc2S1 FC(F)(F)C[*:1] C[C@H]1CCN(C(=O)CS[*:1])c2ccccc2S1
C[C@H]1CCN(C(=O)CSCC(F)(F)F)c2ccccc2S1 FC(F)(F)CS[*:1] C[C@H]1CCN(C(=O)C[*:1])c2ccccc2S1
COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@@H]1[*:1])C(=O)[C@@H]1CCCN1S(C)(=O)=O
O=C(c1ccccc1)[C@@H]1N=NC[C@H]1c1ccc(O)cc1 c1ccc(cc1)[*:1] O=C([C@@H]1N=NC[C@H]1c1ccc(O)cc1)[*:1]
COc1cc(Br)c(O[C@H](C)C(N)=[NH2+])cc1Br NC(=[NH2+])[*:1] COc1cc(Br)c(cc1Br)O[C@H](C)[*:1]
COCCNC(=O)Nc1ccc2nc(SC)sc2c1 COCC[*:1] CSc1nc2ccc(cc2s1)NC(=O)N[*:1]
COCCNC(=O)Nc1ccc2nc(SC)sc2c1 COC[*:1] CSc1nc2ccc(cc2s1)NC(=O)NC[*:1]
C[C@H]([NH2+][C@H]1CCOC1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 C1CCCC(CC1)[*:1] C[C@H]([NH2+][C@H]1CCOC1)c1cccc(c1)S(=O)(=O)N[*:1]
COC(=O)C[C@@](C)(N)c1ccc(S(C)(=O)=O)cc1 COC(=O)[*:1] C[C@@](N)(C[*:1])c1ccc(cc1)S(C)(=O)=O
COC(=O)C[C@@](C)(N)c1ccc(S(C)(=O)=O)cc1 COC(=O)C[*:1] C[C@@](N)(c1ccc(cc1)S(C)(=O)=O)[*:1]
COC(=O)C[C@@](C)(N)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] COC(=O)C[C@@](C)(N)c1ccc(cc1)[*:1]
CC1=C[C@@H]([C@@H]2NN[C@H](S)N2/N=C/c2ccccc2F)N=N1 Fc1ccccc1[*:1] CC1=C[C@H](N=N1)[C@@H]1NN[C@H](S)N1N=C[*:1]
CC(C)c1cccc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)c1 CC(C)[*:1] O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1cccc(c1)[*:1]
CN(Cc1ccccc1F)C(=O)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] CN(Cc1ccccc1F)C(=O)Nc1c[nH]nc1[*:1]
CN(Cc1ccccc1F)C(=O)Nc1c[nH]nc1-c1ccccn1 Fc1ccccc1C[*:1] CN(C(=O)Nc1c[nH]nc1-c1ccccn1)[*:1]
CN(Cc1ccccc1F)C(=O)Nc1c[nH]nc1-c1ccccn1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)Nc1c[nH]nc1-c1ccccn1
COc1ccc2c(c1)=[NH+][C@@H](C(=O)N1CCC(CC(=O)NCc3ccco3)CC1)C=2 O=C(NCc1ccco1)[*:1] COc1ccc2=C[C@@H]([NH+]=c2c1)C(=O)N1CCC(CC1)C[*:1]
COc1ccc2c(c1)=[NH+][C@@H](C(=O)N1CCC(CC(=O)NCc3ccco3)CC1)C=2 c1coc(c1)C[*:1] COc1ccc2=C[C@@H]([NH+]=c2c1)C(=O)N1CCC(CC1)CC(=O)N[*:1]
COc1ccc2c(c1)=[NH+][C@@H](C(=O)N1CCC(CC(=O)NCc3ccco3)CC1)C=2 c1coc(c1)[*:1] COc1ccc2=C[C@@H]([NH+]=c2c1)C(=O)N1CCC(CC1)CC(=O)NC[*:1]
C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1=O Fc1ccccc1[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2cc(nn2-c2ccccc2)C2CCCC2)C1=O)[*:1]
C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1=O C1CCC(C1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2cc(nn2-c2ccccc2)[*:1])C1=O)c1ccccc1F
C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2cc(nn2[*:1])C2CCCC2)C1=O)c1ccccc1F
NC(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])c1ccccc1 O=C([O-])[*:1] NC(=O)N[C@@H](C(=O)N[C@@H](CO)[*:1])c1ccccc1
NC(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])c1ccccc1 NC(=O)N[*:1] O=C([O-])[C@H](CO)NC(=O)[C@@H](c1ccccc1)[*:1]
NC(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] NC(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])[*:1]
O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
CCN1C[C@H](C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)CC1=O c1ccc(cc1)[*:1] CCN1C[C@@H](CC1=O)C(=O)Oc1ccc(cc1)C(=O)[*:1]
CCN1C[C@H](C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)CC1=O O=C(c1ccccc1)[*:1] CCN1C[C@@H](CC1=O)C(=O)Oc1ccc(cc1)[*:1]
Cn1cnc(CNC(=O)N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1 Cn1cnc(C[*:1])n1 C[NH+](CCN1CCN(CC1)C(=O)N[*:1])Cc1ccccc1
Cn1cnc(CNC(=O)N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1 Cn1cnc(n1)[*:1] C[NH+](CCN1CCN(CC1)C(=O)NC[*:1])Cc1ccccc1
Cn1cnc(CNC(=O)N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] Cn1cnc(CNC(=O)N2CCN(CC2)CC[NH+](C)[*:1])n1
Cn1cnc(CNC(=O)N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cn1cnc(CNC(=O)N2CCN(CC2)CC[NH+](C)C[*:1])n1
Cc1ccsc1CN1CCN(C(=O)C(=O)N2CCCC2)CC1 Cc1ccsc1[*:1] O=C(C(=O)N1CCN(CC1)C[*:1])N1CCCC1
Cc1ccsc1CN1CCN(C(=O)C(=O)N2CCCC2)CC1 Cc1ccsc1C[*:1] O=C(C(=O)N1CCN(CC1)[*:1])N1CCCC1
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(N)=O)c(F)c1 CC(C)C[*:1] NC(=O)c1ccc(cc1F)NC(=O)N[C@H]1CCCC[C@H]1OC[*:1]
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(N)=O)c(F)c1 NC(=O)[*:1] CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(N)=O)c(F)c1 CC(C)[*:1] NC(=O)c1ccc(cc1F)NC(=O)N[C@H]1CCCC[C@H]1OCC[*:1]
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(N)=O)c(F)c1 CC(C)CC[*:1] NC(=O)c1ccc(cc1F)NC(=O)N[C@H]1CCCC[C@H]1O[*:1]
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(N)=O)c(F)c1 CC(C)CCO[*:1] NC(=O)c1ccc(cc1F)NC(=O)N[C@H]1CCCC[C@H]1[*:1]
[NH3+]CCCc1nc([C@H]2CSCCO2)no1 [NH3+]CCC[*:1] C1CSC[C@@H](O1)c1noc(n1)[*:1]
[NH3+]CCCc1nc([C@H]2CSCCO2)no1 [NH3+]CC[*:1] C1CSC[C@@H](O1)c1noc(C[*:1])n1
CC(C)C(=O)N1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 CC(C)[*:1] C[C@]12CN(C[C@H]1NC(=O)c1ccccc1C2=O)C(=O)[*:1]
CSc1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3oc4ccccc4c32)c1 CSc1cccc(c1)[*:1] O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)N[*:1]
CSc1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3oc4ccccc4c32)c1 CSc1cccc(c1)NC(=O)[*:1] O=c1c2oc3ccccc3c2n(C[*:1])c(=O)n1CCc1ccccc1
CSc1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3oc4ccccc4c32)c1 c1ccc(cc1)CC[*:1] CSc1cccc(c1)NC(=O)Cn1c(=O)n(c(=O)c2oc3ccccc3c21)[*:1]
CSc1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3oc4ccccc4c32)c1 c1ccc(cc1)C[*:1] CSc1cccc(c1)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2oc3ccccc3c21
CSc1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3oc4ccccc4c32)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)Cn1c(=O)n(CC[*:1])c(=O)c2oc3ccccc3c21
O=C(NCCN1CCOCC1)NC1(c2ccccc2F)CC1 C1CN(CCO1)[*:1] O=C(NCC[*:1])NC1(CC1)c1ccccc1F
O=C(NCCN1CCOCC1)NC1(c2ccccc2F)CC1 C1CN(CCO1)C[*:1] O=C(NC[*:1])NC1(CC1)c1ccccc1F
O=C(NCCN1CCOCC1)NC1(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(NCCN1CCOCC1)NC1(CC1)[*:1]
COC(=O)c1cc(N[C@H](C)Cn2cncn2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)c1cc(ccc1[*:1])N[C@H](C)Cn1cncn1
COC(=O)c1cc(N[C@H](C)Cn2cncn2)ccc1[N+](=O)[O-] COC(=O)[*:1] C[C@H](Cn1cncn1)Nc1ccc(c(c1)[*:1])[N+](=O)[O-]
COC(=O)c1cc(N[C@H](C)Cn2cncn2)ccc1[N+](=O)[O-] c1ncn(C[*:1])n1 COC(=O)c1cc(ccc1[N+](=O)[O-])N[C@H](C)[*:1]
COC(=O)c1cc(N[C@H](C)Cn2cncn2)ccc1[N+](=O)[O-] c1ncn(n1)[*:1] COC(=O)c1cc(ccc1[N+](=O)[O-])N[C@H](C)C[*:1]
Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)NCc1ccco1 c1nc(oc1[*:1])C1CC1 Cc1ccc(cc1S(=O)(=O)NCc1ccco1)[*:1]
Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)NCc1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)NC[*:1])-c1cnc(o1)C1CC1
Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)NCc1ccco1 C1CC1[*:1] Cc1ccc(cc1S(=O)(=O)NCc1ccco1)-c1cnc(o1)[*:1]
Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)NCc1ccco1 c1coc(c1)C[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])-c1cnc(o1)C1CC1
C#CCN(C(=O)c1cnn(-c2ccc([O-])nn2)c1C)C1CCCCC1 C#CC[*:1] Cc1c(cnn1-c1ccc([O-])nn1)C(=O)N(C1CCCCC1)[*:1]
C#CCN(C(=O)c1cnn(-c2ccc([O-])nn2)c1C)C1CCCCC1 [O-]c1ccc(nn1)[*:1] C#CCN(C(=O)c1cnn(c1C)[*:1])C1CCCCC1
C#CCN(C(=O)c1cnn(-c2ccc([O-])nn2)c1C)C1CCCCC1 C1CCC(CC1)[*:1] C#CCN(C(=O)c1cnn(-c2ccc([O-])nn2)c1C)[*:1]
COc1ccc2nc(-c3nn4c(-c5cc(F)ccc5F)nnc4s3)ccc2c1 Fc1ccc(F)c(c1)[*:1] COc1ccc2nc(ccc2c1)-c1nn2c(nnc2s1)[*:1]
Cc1ccccc1-n1cnnc1S(=O)(=O)[C@H](C)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] Cc1ccccc1-n1cnnc1S(=O)(=O)[C@H](C)[*:1]
Cc1ccccc1-n1cnnc1S(=O)(=O)[C@H](C)C(=O)NC(C)(C)C Cc1ccccc1[*:1] C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)c1nncn1[*:1]
Cc1ccccc1-n1cnnc1S(=O)(=O)[C@H](C)C(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1ccccc1-n1cnnc1S(=O)(=O)[C@H](C)C(=O)N[*:1]
CCOc1ccc2ccccc2c1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] CCOc1ccc2ccccc2c1C(=O)N[*:1]
CCOc1ccc2ccccc2c1C(=O)Nc1cccc(F)c1 CCO[*:1] O=C(Nc1cccc(F)c1)c1c(ccc2ccccc12)[*:1]
CC1CCC(NS(=O)(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)CC1 CC1CCC(CC1)[*:1] O=[N+]([O-])c1cc(ccc1NCc1cccnc1)S(=O)(=O)N[*:1]
CC1CCC(NS(=O)(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)CC1 c1cncc(c1)CN[*:1] CC1CCC(CC1)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC1CCC(NS(=O)(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CC1CCC(CC1)NS(=O)(=O)c1ccc(NCc2cccnc2)c(c1)[*:1]
CC1CCC(NS(=O)(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)CC1 c1cncc(c1)[*:1] CC1CCC(CC1)NS(=O)(=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
CC1CCC(NS(=O)(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)CC1 c1cncc(c1)C[*:1] CC1CCC(CC1)NS(=O)(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
O=C(CCNc1ccccc1[N+](=O)[O-])OC1CCC1 O=[N+]([O-])[*:1] O=C(CCNc1ccccc1[*:1])OC1CCC1
O=C(CCNc1ccccc1[N+](=O)[O-])OC1CCC1 C1CC(C1)[*:1] O=C(CCNc1ccccc1[N+](=O)[O-])O[*:1]
CCOCc1ccccc1CNC1=NS(=O)(=O)c2ccccc21 CCO[*:1] O=S1(=O)N=C(NCc2ccccc2C[*:1])c2ccccc21
CCOCc1ccccc1CNC1=NS(=O)(=O)c2ccccc21 CCOC[*:1] O=S1(=O)N=C(NCc2ccccc2[*:1])c2ccccc21
Cc1c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)oc2ccc(Cl)cc12 C1CCN(C1)[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)NCc1ccc([nH+]c1)[*:1]
CCOC(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(=O)[nH]c1C Cc1ccc(cc1Cl)[*:1] CCOC(=O)c1cc(C(=O)N[*:1])c(=O)[nH]c1C
CCOC(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(=O)[nH]c1C CCOC(=O)[*:1] Cc1ccc(cc1Cl)NC(=O)c1cc(c(C)[nH]c1=O)[*:1]
CCCN[C@@]1(C#N)CCC[C@H](n2nc(C)nc2C)C1 CCC[*:1] Cc1nc(C)n(n1)[C@H]1CCC[C@@](C#N)(C1)N[*:1]
CCCN[C@@]1(C#N)CCC[C@H](n2nc(C)nc2C)C1 CCCN[*:1] Cc1nc(C)n(n1)[C@H]1CCC[C@](C#N)(C1)[*:1]
C=CC[C@H]([NH2+]CC)[C@@]1(N(C)C)CCC[C@H](C)C1 C=CC[*:1] CC[NH2+][C@H]([C@]1(CCC[C@H](C)C1)N(C)C)[*:1]
C=CC[C@H]([NH2+]CC)[C@@]1(N(C)C)CCC[C@H](C)C1 CN(C)[*:1] C=CC[C@H]([NH2+]CC)[C@]1(CCC[C@H](C)C1)[*:1]
CCc1ccc(C(C)(C)NC(=O)CCn2cc(C)cn2)cc1 Cc1cnn(c1)C[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)C[*:1]
CCc1ccc(C(C)(C)NC(=O)CCn2cc(C)cn2)cc1 Cc1cnn(c1)[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)CC[*:1]
COCCc1ccc(OS(=O)(=O)c2ccccc2Br)cc1 Brc1ccccc1[*:1] COCCc1ccc(cc1)OS(=O)(=O)[*:1]
COCCc1ccc(OS(=O)(=O)c2ccccc2Br)cc1 COCC[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccccc1Br
COCCc1ccc(OS(=O)(=O)c2ccccc2Br)cc1 COC[*:1] O=S(=O)(Oc1ccc(cc1)C[*:1])c1ccccc1Br
C=CCN(CC(=O)[O-])C(=O)NC(C)(C)CC O=C([O-])C[*:1] C=CCN(C(=O)NC(C)(C)CC)[*:1]
C=CCN(CC(=O)[O-])C(=O)NC(C)(C)CC O=C([O-])[*:1] C=CCN(C[*:1])C(=O)NC(C)(C)CC
C=CCN(CC(=O)[O-])C(=O)NC(C)(C)CC C=CC[*:1] CCC(C)(C)NC(=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])C(=O)NC(C)(C)CC CCC(C)(C)[*:1] C=CCN(CC(=O)[O-])C(=O)N[*:1]
COCc1cc(OC(=O)N(C)C)nc(-c2ccc(C)c(Cl)c2)n1 COC[*:1] Cc1ccc(cc1Cl)-c1nc(cc(n1)[*:1])OC(=O)N(C)C
COCc1cc(OC(=O)N(C)C)nc(-c2ccc(C)c(Cl)c2)n1 CN(C)C(=O)O[*:1] COCc1cc(nc(n1)-c1ccc(C)c(Cl)c1)[*:1]
CCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1 CCCC[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1Cl
CCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1 CCCCNC(=O)[*:1] O=S(=O)(c1ccccc1Cl)N1CCC(CC1)[*:1]
CCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CCCCNC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1 CCC[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1Cl
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1]
O=S(=O)(CC1CCC1)N1CCN(S(=O)(=O)CC2CCC2)CC1 C1CC(C1)[*:1] O=S(=O)(CC1CCC1)N1CCN(CC1)S(=O)(=O)C[*:1]
O=S(=O)(CC1CCC1)N1CCN(S(=O)(=O)CC2CCC2)CC1 C1CC(C1)C[*:1] O=S(=O)(CC1CCC1)N1CCN(CC1)S(=O)(=O)[*:1]
COc1cc([C@H](O)CO)ccc1O OC[C@@H](O)[*:1] COc1cc(ccc1O)[*:1]
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc2c(CC(C)(C)C[C@H]2NC(=O)Nc2cc(Cl)ccc2[*:1])o1
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)c1cscn1 c1nc(cs1)[*:1] O=C(NC[C@@H](O)c1cccc(c1)OC(F)F)[*:1]
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)c1cscn1 FC(F)[*:1] O=C(NC[C@@H](O)c1cccc(c1)O[*:1])c1cscn1
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)c1cscn1 FC(F)O[*:1] O=C(NC[C@@H](O)c1cccc(c1)[*:1])c1cscn1
N#C[C@@H]1C(SCC(=O)Nc2ccc(Cl)cc2)=NC(=O)C[C@@H]1c1cccs1 c1csc(c1)[*:1] N#C[C@@H]1C(=NC(=O)C[C@H]1[*:1])SCC(=O)Nc1ccc(Cl)cc1
N#C[C@@H]1C(SCC(=O)Nc2ccc(Cl)cc2)=NC(=O)C[C@@H]1c1cccs1 Clc1ccc(cc1)[*:1] N#C[C@@H]1C(=NC(=O)C[C@@H]1c1cccs1)SCC(=O)N[*:1]
Cc1nn(C)c2ncc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc12 c1csc(c1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)c1cc(nc2ccccc12)[*:1]
CN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O C1CC1C[*:1] CN(C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)OC(F)F)[*:1]
CN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O CN(CC1CC1)C(=O)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(cc1)OC(F)F
CN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O FC(F)O[*:1] CN(CC1CC1)C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)[*:1]
CN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O FC(F)[*:1] CN(CC1CC1)C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)O[*:1]
CN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O C1CC1[*:1] CN(C[*:1])C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)OC(F)F
CN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O CN(CC1CC1)C(=O)C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(cc1)OC(F)F
C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)c1nc(-c2ccccc2)cs1 c1csc(c1)[*:1] C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)[*:1])c1nc(cs1)-c1ccccc1
C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)c1nc(cs1)[*:1]
CCCSc1nnc(NC(=O)c2ccc(C(C)C)cc2)s1 CCCS[*:1] CC(C)c1ccc(cc1)C(=O)Nc1nnc(s1)[*:1]
CCCSc1nnc(NC(=O)c2ccc(C(C)C)cc2)s1 CC(C)[*:1] CCCSc1nnc(NC(=O)c2ccc(cc2)[*:1])s1
CCCSc1nnc(NC(=O)c2ccc(C(C)C)cc2)s1 CCC[*:1] CC(C)c1ccc(cc1)C(=O)Nc1nnc(S[*:1])s1
C[NH+](C)CCNc1c(C#N)c2c(c3nncn13)CN(Cc1ccccc1)CC2 c1ccc(cc1)[*:1] C[NH+](C)CCNc1c(C#N)c2CCN(Cc2c2nncn12)C[*:1]
C[NH+](C)CCNc1c(C#N)c2c(c3nncn13)CN(Cc1ccccc1)CC2 c1ccc(cc1)C[*:1] C[NH+](C)CCNc1c(C#N)c2CCN(Cc2c2nncn12)[*:1]
COC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3ccc(OC)cc3)C2=O)C1 COc1ccc(cc1)[*:1] COC(=O)C1C[C@@]2(CC(=O)N(C2=O)[*:1])N(N=O)N=1
Cc1ncc([C@@H](C)NCCc2ccccc2F)s1 Cc1ncc(s1)[*:1] C[C@@H](NCCc1ccccc1F)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCO1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)[C@@H]1CCCO1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1NC(=O)[*:1])[N+](=O)[O-]
CC[C@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C)C3 CC[C@H](C)[*:1] CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SCC(=O)N[*:1]
CC[C@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C)C3 CC[C@H](C)NC(=O)[*:1] CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SC[*:1]
CC[C@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC[C@@H](C)C3 CC[C@H](C)NC(=O)C[*:1] CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)S[*:1]
CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1cn[nH]c1 c1n[nH]cc1[*:1] CC(C)(Cc1cccc(Cl)c1)C(=O)N[*:1]
N#CCSc1cccc(C(=O)Nc2cccc3c2OCCO3)c1 N#CCS[*:1] O=C(Nc1cccc2OCCOc12)c1cccc(c1)[*:1]
N#CCSc1cccc(C(=O)Nc2cccc3c2OCCO3)c1 N#CC[*:1] O=C(Nc1cccc2OCCOc12)c1cccc(c1)S[*:1]
Cc1ccc(NC(=O)COC(=O)c2cnc3c(C)cccn3c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)OCC(=O)N[*:1]
CN(C)c1cccc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)c1 CN(C)c1cccc(c1)[*:1] O=C1S/C(=C\c2ccccc2)C(=O)N1CCNC(=O)[*:1]
CN(C)c1cccc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] CN(C)c1cccc(c1)C(=O)NCCN1C(=O)SC(=C[*:1])C1=O
CN(C)c1cccc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)c1 CN(C)[*:1] O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1cccc(c1)[*:1]
CN1N=C[C@@H](Br)[C@@H]1C(=O)N/N=C/[C@@H]1C=NN=C1c1ccccc1 c1ccc(cc1)[*:1] CN1N=C[C@@H](Br)[C@@H]1C(=O)N/N=C/[C@@H]1C=NN=C1[*:1]
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CCN(C1)c1cccc(Cl)c1)N[C@@H](CO)[*:1]
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1)c1cccc(Cl)c1)N[C@@H](CO)C[*:1]
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)N[C@@H](CO)Cc1ccccc1 Clc1cccc(c1)[*:1] O=C(N[C@H]1CCN(C1)[*:1])N[C@@H](CO)Cc1ccccc1
Cc1ccccc1NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 Cc1ccccc1[*:1] CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CN[*:1]
Cc1ccccc1NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 Cc1ccccc1N[*:1] CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)C[*:1]
Cc1ccccc1NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 CC(C)(C)NC(=O)[*:1] Cc1ccccc1NCC(=O)N1CCN(CC1)C[*:1]
Cc1ccccc1NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1ccccc1NCC(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1ccccc1NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 CC(C)(C)NC(=O)C[*:1] Cc1ccccc1NCC(=O)N1CCN(CC1)[*:1]
O=[N+]([O-])c1c(NCc2cccc(F)c2)nc2ccccn12 O=[N+]([O-])[*:1] Fc1cccc(c1)CNc1nc2ccccn2c1[*:1]
O=[N+]([O-])c1c(NCc2cccc(F)c2)nc2ccccn12 Fc1cccc(c1)[*:1] O=[N+]([O-])c1c(nc2ccccn12)NC[*:1]
CC[C@@H](NC(=O)c1cc(Br)ccc1Cl)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)c1cc(Br)ccc1Cl)[*:1]
COc1cccc2ccc(C[NH+]3CCC(CO)(Cc4ccccc4)CC3)nc12 c1ccc(cc1)C[*:1] COc1cccc2ccc(C[NH+]3CCC(CO)(CC3)[*:1])nc12
COc1cccc2ccc(C[NH+]3CCC(CO)(Cc4ccccc4)CC3)nc12 c1ccc(cc1)[*:1] COc1cccc2ccc(C[NH+]3CCC(CO)(CC3)C[*:1])nc12
Cc1c(NC(=O)Nc2ccc3c(c2)COC3)cnn1CCC(C)C CC(C)CC[*:1] Cc1c(cnn1[*:1])NC(=O)Nc1ccc2COCc2c1
Cc1c(NC(=O)Nc2ccc3c(c2)COC3)cnn1CCC(C)C CC(C)[*:1] Cc1c(cnn1CC[*:1])NC(=O)Nc1ccc2COCc2c1
Cc1c(NC(=O)Nc2ccc3c(c2)COC3)cnn1CCC(C)C CC(C)C[*:1] Cc1c(cnn1C[*:1])NC(=O)Nc1ccc2COCc2c1
C[NH+](C)C[C@@](C)(O)CNC(=O)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] C[NH+](C)C[C@@](C)(O)CNC(=O)Nc1c[nH]nc1[*:1]
CCNS(=O)(=O)c1cccc(C(=O)c2c(C)cc3ccccn23)c1 CCNS(=O)(=O)[*:1] Cc1cc2ccccn2c1C(=O)c1cccc(c1)[*:1]
Cc1ccc(C(=O)[O-])cc1/N=C1\NCCS1 O=C([O-])[*:1] Cc1ccc(cc1/N=C1\NCCS1)[*:1]
C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)CS2 FC(F)(F)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)N1CCN(CC1)c1cccc(c1)[*:1]
COc1ccc2c(=O)ccn(CCC(N)=O)c2c1 NC(=O)C[*:1] COc1ccc2c(=O)ccn(C[*:1])c2c1
COc1ccc2c(=O)ccn(CCC(N)=O)c2c1 NC(=O)CC[*:1] COc1ccc2c(=O)ccn(c2c1)[*:1]
COc1ccc2c(=O)ccn(CCC(N)=O)c2c1 NC(=O)[*:1] COc1ccc2c(=O)ccn(CC[*:1])c2c1
CCOc1cccc([C@@H](C)Nc2ccc(C(=O)NC)n[nH+]2)c1 CNC(=O)[*:1] CCOc1cccc(c1)[C@@H](C)Nc1ccc(n[nH+]1)[*:1]
CCOc1cccc([C@@H](C)Nc2ccc(C(=O)NC)n[nH+]2)c1 CCO[*:1] CNC(=O)c1ccc(N[C@H](C)c2cccc(c2)[*:1])[nH+]n1
CCS[C@H]1CCCC[C@H]1NC(=O)NCc1[nH+]ccn1CC(C)C CCS[*:1] CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCCC[C@@H]1[*:1]
CCS[C@H]1CCCC[C@H]1NC(=O)NCc1[nH+]ccn1CC(C)C CC(C)C[*:1] CCS[C@H]1CCCC[C@H]1NC(=O)NCc1[nH+]ccn1[*:1]
CCS[C@H]1CCCC[C@H]1NC(=O)NCc1[nH+]ccn1CC(C)C CC(C)[*:1] CCS[C@H]1CCCC[C@H]1NC(=O)NCc1[nH+]ccn1C[*:1]
C[C@@H](NC(=O)CO/N=C(\N)c1ccccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CO/N=C(\N)c1ccccc1Cl)[*:1]
C[C@@H](NC(=O)CO/N=C(\N)c1ccccc1Cl)c1ccccc1 Clc1ccccc1[*:1] C[C@@H](NC(=O)CO/N=C(\N)[*:1])c1ccccc1
O[C@@H]1CCCOC12CCN(c1nccc(C(F)(F)F)n1)CC2 FC(F)(F)[*:1] O[C@@H]1CCCOC12CCN(CC2)c1nccc(n1)[*:1]
Cc1nc2cccnc2n1C1CCN(C(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] Cc1nc2cccnc2n1C1CCN(CC1)C(=O)N[*:1]
O=C(Nc1ccc(-n2cncn2)c(Cl)c1)C(=O)N[C@@H]1CC=CCC1 c1ncn(n1)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])C(=O)N[C@@H]1CC=CCC1
Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c1 Cc1nnnn1[*:1] C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)C(NC(=O)N2CCOCC2)=C(Cl)Cl)cc1 Cc1ccc(cc1)[*:1] O=C(NC(=C(Cl)Cl)S(=O)(=O)[*:1])N1CCOCC1
Nc1ccsc1C(=O)N1CCC[NH+](Cc2ccccc2F)CC1 Nc1ccsc1[*:1] O=C(N1CCC[NH+](CC1)Cc1ccccc1F)[*:1]
Nc1ccsc1C(=O)N1CCC[NH+](Cc2ccccc2F)CC1 Fc1ccccc1[*:1] Nc1ccsc1C(=O)N1CCC[NH+](CC1)C[*:1]
Cc1cc(C(=O)Nc2ccn(CCc3ccccn3)n2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(Nc1ccn(CCc2ccccn2)n1)[*:1]
Cc1cc(C(=O)Nc2ccn(CCc3ccccn3)n2)n(C)n1 c1ccc(C[*:1])nc1 Cc1cc(C(=O)Nc2ccn(C[*:1])n2)n(C)n1
Cc1cc(C(=O)Nc2ccn(CCc3ccccn3)n2)n(C)n1 c1ccc(nc1)[*:1] Cc1cc(C(=O)Nc2ccn(CC[*:1])n2)n(C)n1
COc1cccc(OCC(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)c1 COc1cccc(c1)[*:1] O=C(CO[*:1])Nc1c2CSCc2nn1-c1ccc(F)cc1
COc1cccc(OCC(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)OCC(=O)Nc1c2CSCc2nn1[*:1]
COc1cccc(OCC(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)c1 COc1cccc(c1)O[*:1] O=C(C[*:1])Nc1c2CSCc2nn1-c1ccc(F)cc1
C=CCc1c(C)nc(SCC(=O)Nc2ccc(OC)cc2)[nH]c1=O COc1ccc(cc1)[*:1] C=CCc1c(C)nc([nH]c1=O)SCC(=O)N[*:1]
C=CCc1c(C)nc(SCC(=O)Nc2ccc(OC)cc2)[nH]c1=O C=CC[*:1] COc1ccc(cc1)NC(=O)CSc1nc(C)c(c(=O)[nH]1)[*:1]
O=C(C[NH+]1CCC(NC(=O)c2cc3ccccc3[nH]c2=O)CC1)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=C(NC1CC[NH+](CC1)[*:1])c1cc2ccccc2[nH]c1=O
O=C(C[NH+]1CCC(NC(=O)c2cc3ccccc3[nH]c2=O)CC1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1cc2ccccc2[nH]c1=O
O=C(C[NH+]1CCC(NC(=O)c2cc3ccccc3[nH]c2=O)CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)c1cc2ccccc2[nH]c1=O)N[*:1]
O=S(=O)(c1cccnc1)N1CCC[C@H]1C1CCCCC1 c1cncc(c1)[*:1] O=S(=O)(N1CCC[C@H]1C1CCCCC1)[*:1]
O=S(=O)(c1cccnc1)N1CCC[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=S(=O)(c1cccnc1)N1CCC[C@@H]1[*:1]
O=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc2c(c1)CCC(=O)N2 Fc1ccc(c(F)c1)[*:1] O=C(CNC(=O)[*:1])Nc1ccc2NC(=O)CCc2c1
CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)C(CC[C@@H](C)CC(=O)[O-])=C(C)[C@H]1O O=C([O-])[*:1] CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)C(CC[C@@H](C)C[*:1])=C(C)[C@H]1O
CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)C(CC[C@@H](C)CC(=O)[O-])=C(C)[C@H]1O CC(=O)O[*:1] CC1=C(CC[C@@H](C)CC(=O)[O-])[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]([C@@H]1O)[*:1]
CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)C(CC[C@@H](C)CC(=O)[O-])=C(C)[C@H]1O C[C@@H](CC(=O)[O-])[*:1] CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)C(CC[*:1])=C(C)[C@H]1O
CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)C(CC[C@@H](C)CC(=O)[O-])=C(C)[C@H]1O O=C([O-])C[*:1] CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)C(CC[C@@H](C)[*:1])=C(C)[C@H]1O
CCC(CC)c1nnc(NC(=O)N(CC)C[C@@H]2CCOC2)s1 C1C[C@H](CO1)[*:1] CCC(CC)c1nnc(NC(=O)N(CC)C[*:1])s1
CCC(CC)c1nnc(NC(=O)N(CC)C[C@@H]2CCOC2)s1 C1C[C@H](CO1)C[*:1] CCC(CC)c1nnc(NC(=O)N(CC)[*:1])s1
CCC(CC)c1nnc(NC(=O)N(CC)C[C@@H]2CCOC2)s1 CCC(CC)[*:1] CCN(C[C@@H]1CCOC1)C(=O)Nc1nnc(s1)[*:1]
O=C([C@H](O)c1ccccc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 c1ccc(cc1)[*:1] O=C([C@H](O)[*:1])N1CCC[C@@H](C1)c1nnc2CCCCCn21
O=C([C@H](O)c1ccccc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 O[C@H](c1ccccc1)[*:1] O=C(N1CCC[C@@H](C1)c1nnc2CCCCCn21)[*:1]
CC(C)[C@H](C)[C@H](O)Cc1nc2ccccc2s1 CC(C)[C@H](C)[*:1] O[C@H](Cc1nc2ccccc2s1)[*:1]
CC(C)[C@H](C)[C@H](O)Cc1nc2ccccc2s1 CC(C)[*:1] C[C@H]([C@H](O)Cc1nc2ccccc2s1)[*:1]
O=C(Nc1ccnc(-c2ccccc2)n1)c1cc(F)c(F)cc1F c1ccc(cc1)[*:1] O=C(Nc1ccnc(n1)[*:1])c1cc(F)c(F)cc1F
O=C(CCc1cccc(F)c1)Nc1cccc(C2SCCS2)c1 Fc1cccc(c1)[*:1] O=C(CC[*:1])Nc1cccc(c1)C1SCCS1
O=C(CCc1cccc(F)c1)Nc1cccc(C2SCCS2)c1 C1CSC(S1)[*:1] O=C(CCc1cccc(F)c1)Nc1cccc(c1)[*:1]
CCOC(=O)c1c(N)n(C(=O)c2ccccc2)[n+]2c(-c3ccccc3)csc12 c1ccc(cc1)[*:1] CCOC(=O)c1c(N)n(C(=O)[*:1])[n+]2c(csc12)-c1ccccc1
CCOC(=O)c1c(N)n(C(=O)c2ccccc2)[n+]2c(-c3ccccc3)csc12 c1ccc(cc1)[*:1] CCOC(=O)c1c(N)n(C(=O)c2ccccc2)[n+]2c(csc12)[*:1]
CCOC(=O)c1c(N)n(C(=O)c2ccccc2)[n+]2c(-c3ccccc3)csc12 CCOC(=O)[*:1] Nc1c(c2scc(-c3ccccc3)[n+]2n1C(=O)c1ccccc1)[*:1]
CCC[NH2+][C@@H](c1ccccc1Cl)[C@H]1CN(CC)CCO1 CCC[*:1] CCN1CCO[C@H](C1)[C@@H]([NH2+][*:1])c1ccccc1Cl
CC(C)n1c([C@H]2CCCN(C(=O)c3ccco3)C2)nn(C)c1=O CC(C)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)c2ccco2)n(c1=O)[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)c3ccco3)C2)nn(C)c1=O c1coc(c1)[*:1] CC(C)n1c(nn(C)c1=O)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(Cc1cccs1)Nc1ccccc1C(=O)NCc1ccccc1 c1csc(c1)C[*:1] O=C(NCc1ccccc1)c1ccccc1NC(=O)[*:1]
O=C(Cc1cccs1)Nc1ccccc1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1cccs1)Nc1ccccc1C(=O)N[*:1]
O=C(Cc1cccs1)Nc1ccccc1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cccs1)Nc1ccccc1C(=O)NC[*:1]
O=C(Cc1cccs1)Nc1ccccc1C(=O)NCc1ccccc1 c1csc(c1)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NCc1ccccc1
O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1cccc(O)c1 Oc1cccc(c1)[*:1] O=C(CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1)N[*:1]
O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1cccc(O)c1 Fc1ccc(cc1)[*:1] O=C(CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1])Nc1cccc(O)c1
O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1cccc(O)c1 O=C(Nc1cccc(O)c1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O NC(=O)C[*:1] COc1ccccc1CN1C(=O)[C@@H]2[C@H](C[*:1])N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O COc1ccccc1[*:1] Cc1cc(C)c2NC(=O)[C@]3(N[C@@H](CCC(N)=O)[C@H]4C(=O)N(C[*:1])C(=O)[C@H]43)c2c1
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O NC(=O)[*:1] COc1ccccc1CN1C(=O)[C@@H]2[C@H](CC[*:1])N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O NC(=O)CC[*:1] COc1ccccc1CN1C(=O)[C@@H]2[C@H](N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O)[*:1]
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O COc1ccccc1C[*:1] Cc1cc(C)c2NC(=O)[C@]3(N[C@@H](CCC(N)=O)[C@H]4C(=O)N(C(=O)[C@H]43)[*:1])c2c1
CC[NH2+][C@H]1[C@H](N(C)Cc2cnn(C)c2)CCCC1(C)C Cn1cc(cn1)[*:1] CC[NH2+][C@H]1[C@@H](CCCC1(C)C)N(C)C[*:1]
O=C([O-])c1ccc(S[C@H]2CCO[C@@]3(CCSC3)C2)cc1 O=C([O-])[*:1] c1cc(ccc1S[C@H]1CCO[C@@]2(CCSC2)C1)[*:1]
Cc1ccc(C(=O)NCCNC(=O)N(C[C@H]2C[C@H]2C)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)N(C[C@H]1C[C@H]1C)C(=O)NCCNC(=O)[*:1]
Cc1ccc(C(=O)NCCNC(=O)N(C[C@H]2C[C@H]2C)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)NCCNC(=O)N(C[C@H]1C[C@H]1C)[*:1]
COC(=O)c1cc(N2C(=O)c3cccnc3C2=O)ccc1C COC(=O)[*:1] Cc1ccc(cc1[*:1])N1C(=O)c2cccnc2C1=O
C[C@]1(C(=O)NCC[C@H](O)c2ccccc2)Cc2ccccc2C(=O)O1 O[C@H](c1ccccc1)[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)NCC[*:1]
C[C@]1(C(=O)NCC[C@H](O)c2ccccc2)Cc2ccccc2C(=O)O1 c1ccc(cc1)[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)NCC[C@H](O)[*:1]
CCCCCC(=O)N1CSC[C@H]1C(=O)[O-] CCCC[*:1] O=C([O-])[C@@H]1CSCN1C(=O)C[*:1]
CCCCCC(=O)N1CSC[C@H]1C(=O)[O-] CCCCC[*:1] O=C([O-])[C@@H]1CSCN1C(=O)[*:1]
CCCCCC(=O)N1CSC[C@H]1C(=O)[O-] O=C([O-])[*:1] CCCCCC(=O)N1CSC[C@@H]1[*:1]
CCCCCC(=O)N1CSC[C@H]1C(=O)[O-] CCC[*:1] O=C([O-])[C@@H]1CSCN1C(=O)CC[*:1]
C#CCOc1ccc(NC(=O)N(C)[C@@H](C)CCSC)cc1 C#CC[*:1] CSCC[C@H](C)N(C)C(=O)Nc1ccc(cc1)O[*:1]
C#CCOc1ccc(NC(=O)N(C)[C@@H](C)CCSC)cc1 CSCC[*:1] C#CCOc1ccc(cc1)NC(=O)N(C)[C@@H](C)[*:1]
C#CCOc1ccc(NC(=O)N(C)[C@@H](C)CCSC)cc1 CSC[*:1] C#CCOc1ccc(cc1)NC(=O)N(C)[C@@H](C)C[*:1]
C#CCOc1ccc(NC(=O)N(C)[C@@H](C)CCSC)cc1 C#CCO[*:1] CSCC[C@H](C)N(C)C(=O)Nc1ccc(cc1)[*:1]
CCc1ccccc1N/C(=N\c1ccc(C(C)=O)cc1)n1sc(C)cc1=N CCc1ccccc1[*:1] CC(=O)c1ccc(cc1)/N=C(\N[*:1])n1sc(C)cc1=N
CCc1ccccc1N/C(=N\c1ccc(C(C)=O)cc1)n1sc(C)cc1=N CC(=O)[*:1] CCc1ccccc1N/C(=N\c1ccc(cc1)[*:1])n1sc(C)cc1=N
CCc1ccccc1N/C(=N\c1ccc(C(C)=O)cc1)n1sc(C)cc1=N CC(=O)c1ccc(cc1)[*:1] CCc1ccccc1NC(=N[*:1])n1sc(C)cc1=N
C=CCOc1cc(C)nc(-c2ccccc2O)n1 C=CCO[*:1] Cc1cc(nc(n1)-c1ccccc1O)[*:1]
C=CCOc1cc(C)nc(-c2ccccc2O)n1 C=CC[*:1] Cc1cc(nc(n1)-c1ccccc1O)O[*:1]
C=CCOc1nc(N)nc(N)n1 C=CC[*:1] Nc1nc(N)nc(n1)O[*:1]
C=CCOc1nc(N)nc(N)n1 C=CCO[*:1] Nc1nc(N)nc(n1)[*:1]
Cc1cc(NC(=O)CSCC(=O)N2CCN(c3cccc(C)c3C)CC2)no1 Cc1cc(no1)NC(=O)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)CSC[*:1]
Cc1cc(NC(=O)CSCC(=O)N2CCN(c3cccc(C)c3C)CC2)no1 Cc1cc(no1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)CSCC(=O)N[*:1]
Cc1cc(NC(=O)CSCC(=O)N2CCN(c3cccc(C)c3C)CC2)no1 Cc1cccc(c1C)[*:1] Cc1cc(no1)NC(=O)CSCC(=O)N1CCN(CC1)[*:1]
C[C@H]1OCCN(CC(C)(C)CCC#N)[C@@H]1C N#CCC[*:1] C[C@H]1OCCN(CC(C)(C)[*:1])[C@@H]1C
C[C@H]1OCCN(CC(C)(C)CCC#N)[C@@H]1C N#CC[*:1] C[C@H]1OCCN(CC(C)(C)C[*:1])[C@@H]1C
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(CN1c2ccccc2NC2CCCC(=O)C=2[C@H]1c1ccco1)N[*:1]
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NCc1cccnc1 c1coc(c1)[*:1] O=C(CN1c2ccccc2NC2CCCC(=O)C=2[C@@H]1[*:1])NCc1cccnc1
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NCc1cccnc1 O=C(NCc1cccnc1)[*:1] O=C1CCCC2Nc3ccccc3N(C[*:1])[C@@H](C=21)c1ccco1
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NCc1cccnc1 c1cncc(c1)[*:1] O=C(CN1c2ccccc2NC2CCCC(=O)C=2[C@H]1c1ccco1)NC[*:1]
C[C@@H](NCCn1cnnc1C1CC1)c1ccccc1C(F)(F)F C1CC1[*:1] C[C@@H](NCCn1cnnc1[*:1])c1ccccc1C(F)(F)F
C[C@@H](NCCn1cnnc1C1CC1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](NCCn1cnnc1C1CC1)c1ccccc1[*:1]
O=C(c1ccncc1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 c1cc(ccn1)[*:1] O=C(N1CC[C@H](C1)Oc1cccc(Cl)c1)[*:1]
O=C(c1ccncc1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(c1ccncc1)N1CC[C@H](C1)O[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 CCC[*:1] C[C@H]1CCCN(C(=O)c2ccc(cc2)S(C)(=O)=O)[C@H]1[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(cc1)[*:1]
O=C(NCCOCC(F)(F)F)C(=O)Nc1c(F)cc(F)cc1F FC(F)(F)[*:1] O=C(NCCOC[*:1])C(=O)Nc1c(F)cc(F)cc1F
O=C(NCCOCC(F)(F)F)C(=O)Nc1c(F)cc(F)cc1F FC(F)(F)C[*:1] O=C(NCCO[*:1])C(=O)Nc1c(F)cc(F)cc1F
O=C(NCCOCC(F)(F)F)C(=O)Nc1c(F)cc(F)cc1F FC(F)(F)CO[*:1] O=C(NCC[*:1])C(=O)Nc1c(F)cc(F)cc1F
O=C(NCCOCC(F)(F)F)C(=O)Nc1c(F)cc(F)cc1F FC(F)(F)COC[*:1] O=C(NC[*:1])C(=O)Nc1c(F)cc(F)cc1F
COc1ccc(CN2C[NH+]=C(c3ccccc3)N(c3cccc(Cl)c3)C2)cc1 COc1ccc(cc1)[*:1] Clc1cccc(c1)N1CN(C[NH+]=C1c1ccccc1)C[*:1]
COc1ccc(CN2C[NH+]=C(c3ccccc3)N(c3cccc(Cl)c3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CN1C[NH+]=C(N(C1)c1cccc(Cl)c1)[*:1]
COc1ccc(CN2C[NH+]=C(c3ccccc3)N(c3cccc(Cl)c3)C2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)CN1C[NH+]=C(c2ccccc2)N(C1)[*:1]
COc1ccc(CN2C[NH+]=C(c3ccccc3)N(c3cccc(Cl)c3)C2)cc1 COc1ccc(cc1)C[*:1] Clc1cccc(c1)N1CN(C[NH+]=C1c1ccccc1)[*:1]
O[C@H]([C@@H]1CCCc2cccnc21)C(F)(F)F FC(F)(F)[*:1] O[C@H]([C@@H]1CCCc2cccnc21)[*:1]
CC(C)NC(=O)C(=O)N1CCN(C2C[C@@H](C)O[C@H](C)C2)CC1 CC(C)[*:1] C[C@@H]1CC(C[C@@H](C)O1)N1CCN(CC1)C(=O)C(=O)N[*:1]
COc1ccc(CNS(=O)(=O)c2cc3c(=O)n(C)nc(C)n3c2)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)c(=O)c2cc(cn12)S(=O)(=O)NC[*:1]
CSc1nsc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)n1 CSc1nsc(n1)[*:1] O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[*:1]
C[C@@](N)(c1cc(F)cc(F)c1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(c1cc(F)cc(F)c1)c1ccccc1[*:1]
C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccnc(c1)O[*:1]
C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 CN(C)C(=O)[*:1] C[C@@H](C[*:1])[NH2+]Cc1ccnc(c1)O[C@@H]1CCOC1
C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 CN(C)C(=O)C[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)O[C@@H]1CCOC1)[*:1]
C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 C1C[C@H](CO1)O[*:1] C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccnc(c1)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)n1 C(=C/c1ccccc1)\C[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)NC(=O)C1CC[NH+](CC1)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)n1 C(=C[*:1])c1ccccc1 Cc1cc(C)n(n1)-c1ccc(cc1)NC(=O)C1CC[NH+](CC1)C[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CC[NH+](C/C=C/c2ccccc2)CC1
Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)NC(=O)C1CC[NH+](CC=C[*:1])CC1
Cc1noc(-c2cccnc2N2CC[C@@H](NC(=O)COc3ccc(F)cc3)C2)n1 Fc1ccc(cc1)O[*:1] Cc1noc(n1)-c1cccnc1N1CC[C@H](C1)NC(=O)C[*:1]
Cc1noc(-c2cccnc2N2CC[C@@H](NC(=O)COc3ccc(F)cc3)C2)n1 Cc1noc(n1)[*:1] O=C(COc1ccc(F)cc1)N[C@@H]1CCN(C1)c1ncccc1[*:1]
Cc1noc(-c2cccnc2N2CC[C@@H](NC(=O)COc3ccc(F)cc3)C2)n1 Fc1ccc(cc1)OC[*:1] Cc1noc(n1)-c1cccnc1N1CC[C@H](C1)NC(=O)[*:1]
Cc1noc(-c2cccnc2N2CC[C@@H](NC(=O)COc3ccc(F)cc3)C2)n1 Fc1ccc(cc1)[*:1] Cc1noc(n1)-c1cccnc1N1CC[C@H](C1)NC(=O)CO[*:1]
CCN1C[C@H](C2CCCCC2)[NH2+]Cc2ccccc21 C1CCC(CC1)[*:1] CCN1C[C@H]([NH2+]Cc2ccccc21)[*:1]
Cc1csc(NC(=O)CN(C)[C@H]2CCCN(c3ccccc3)C2)n1 Cc1csc(n1)[*:1] CN(CC(=O)N[*:1])[C@H]1CCCN(C1)c1ccccc1
Cc1csc(NC(=O)CN(C)[C@H]2CCCN(c3ccccc3)C2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)CN(C)[C@H]1CCCN(C1)[*:1]
CC(C)CNC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 CC(C)C[*:1] O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)N[*:1]
CC(C)CNC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 CC(C)[*:1] O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)NC[*:1]
CC(C)CNC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 c1csc(c1)[*:1] CC(C)CNC(=O)C(=O)NC[C@H](N1CCc2ccccc21)[*:1]
CCOc1ccccc1NC(=O)Cn1cnc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] CCOc1ccccc1NC(=O)Cn1cnc(c1)[*:1]
CCOc1ccccc1NC(=O)Cn1cnc(S(=O)(=O)N2CCCC2)c1 CCO[*:1] O=C(Cn1cnc(c1)S(=O)(=O)N1CCCC1)Nc1ccccc1[*:1]
CC1(C[NH2+]C/C=C/c2ccc(C#N)cc2)COC1 CC1(COC1)[*:1] N#Cc1ccc(/C=C/C[NH2+]C[*:1])cc1
C[C@H]1CN(Cc2ccc3c(c2)CN(C(=O)c2cccc(N4CCNC4=O)c2)CCO3)C[C@@H](C)O1 O=C1NCCN1[*:1] C[C@H]1CN(Cc2ccc3OCCN(Cc3c2)C(=O)c2cccc(c2)[*:1])C[C@@H](C)O1
CCCOc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 CCC[*:1] [NH3+]CC1CC[NH+](CC1)Cc1cccc(c1)O[*:1]
CCCOc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 CCCO[*:1] [NH3+]CC1CC[NH+](CC1)Cc1cccc(c1)[*:1]
CCN(Cc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 Oc1cccc(c1)[*:1] CCN(Cc1ccccc1[N+](=O)[O-])[C@H](C)[*:1]
CCN(Cc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 O=[N+]([O-])[*:1] CCN(Cc1ccccc1[*:1])[C@H](C)c1cccc(O)c1
C[C@H](CSCc1ccc(C(=O)[O-])cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](CSCc1ccc(cc1)[*:1])C(=O)[O-]
C[C@H](CSCc1ccc(C(=O)[O-])cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](CSCc1ccc(cc1)C(=O)[O-])[*:1]
C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(N(C)C)cc2)[C@@H]1C CN(C)[*:1] C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(cc2)[*:1])[C@@H]1C
Cc1cc(C[NH2+]Cc2ncn(C)n2)ccc1Oc1cccnc1 Cn1cnc(n1)[*:1] Cc1cc(ccc1Oc1cccnc1)C[NH2+]C[*:1]
Cc1cc(C[NH2+]Cc2ncn(C)n2)ccc1Oc1cccnc1 c1cncc(c1)O[*:1] Cc1cc(ccc1[*:1])C[NH2+]Cc1ncn(C)n1
Cc1cc(C[NH2+]Cc2ncn(C)n2)ccc1Oc1cccnc1 c1cncc(c1)[*:1] Cc1cc(ccc1O[*:1])C[NH2+]Cc1ncn(C)n1
O=C([O-])c1cc(-c2ccc[nH]c2=O)ccc1Cl O=C([O-])[*:1] O=c1[nH]cccc1-c1ccc(Cl)c(c1)[*:1]
Cn1cnn(-c2ccc(NC(=O)CC3CCOCC3)cc2)c1=O C1CC(CCO1)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)C[*:1])c1=O
Cn1cnn(-c2ccc(NC(=O)CC3CCOCC3)cc2)c1=O Cn1cnn(c1=O)[*:1] O=C(CC1CCOCC1)Nc1ccc(cc1)[*:1]
Cn1cnn(-c2ccc(NC(=O)CC3CCOCC3)cc2)c1=O C1CC(CCO1)C[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)[*:1])c1=O
COCc1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 COC[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1cc(C(=O)N(C)Cc2nccs2)ccc1F c1csc(n1)[*:1] CC(=O)Nc1cc(ccc1F)C(=O)N(C)C[*:1]
CC(=O)Nc1cc(C(=O)N(C)Cc2nccs2)ccc1F c1csc(C[*:1])n1 CC(=O)Nc1cc(ccc1F)C(=O)N(C)[*:1]
CC(=O)Nc1cc(C(=O)N(C)Cc2nccs2)ccc1F CC(=O)N[*:1] CN(Cc1nccs1)C(=O)c1ccc(F)c(c1)[*:1]
CSCC(=O)NCCn1c(C(C)C)n[nH]c1=S CSC[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)[*:1]
CSCC(=O)NCCn1c(C(C)C)n[nH]c1=S CC(C)[*:1] CSCC(=O)NCCn1c(n[nH]c1=S)[*:1]
N#C[C@@H](C(=O)C(=O)Nc1nccs1)c1ccc(Cl)cc1 c1csc(n1)[*:1] N#C[C@@H](C(=O)C(=O)N[*:1])c1ccc(Cl)cc1
CC[C@@H]1NC(=O)[C@@H]([C@@H](C)CC)N(Cc2nc(C)cs2)C1=O Cc1csc(n1)[*:1] CC[C@@H]1NC(=O)[C@@H]([C@@H](C)CC)N(C[*:1])C1=O
CC[C@@H]1NC(=O)[C@@H]([C@@H](C)CC)N(Cc2nc(C)cs2)C1=O Cc1csc(C[*:1])n1 CC[C@@H]1NC(=O)[C@@H]([C@@H](C)CC)N(C1=O)[*:1]
CC[C@@H]1NC(=O)[C@@H]([C@@H](C)CC)N(Cc2nc(C)cs2)C1=O CC[C@H](C)[*:1] CC[C@@H]1NC(=O)[C@@H](N(Cc2nc(C)cs2)C1=O)[*:1]
CC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)c1ccc(F)cc1[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C[C@@H](C)O1 Fc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(C)(C)CNC(=O)[C@@H]1C[C@H]1[*:1]
Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C(C)C)CO4)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)N1COc2ccc3C(=O)C(=C[*:1])Oc3c2C1
Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C(C)C)CO4)C2=O)cc1 CC(C)[*:1] Cc1ccc(/C=C2\Oc3c(ccc4OCN(Cc43)[*:1])C2=O)cc1
C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ccc(Cl)cc1)[*:1]
C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)N1CCCC1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)[*:1])C(=O)N1CCCC1
CS[C@H]1CC[C@H](NC(=O)N2CC[C@H](CSc3ccccc3)C2)C1 c1ccc(cc1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N1CC[C@H](CS[*:1])C1
CS[C@H]1CC[C@H](NC(=O)N2CC[C@H](CSc3ccccc3)C2)C1 c1ccc(cc1)S[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N1CC[C@@H](C1)C[*:1]
c1csc(-c2nc(CN3CC[NH+](CC4CC4)CC3)co2)c1 C1CC1C[*:1] c1csc(c1)-c1nc(co1)CN1CC[NH+](CC1)[*:1]
c1csc(-c2nc(CN3CC[NH+](CC4CC4)CC3)co2)c1 C1CC1[*:1] c1csc(c1)-c1nc(co1)CN1CC[NH+](CC1)C[*:1]
c1csc(-c2nc(CN3CC[NH+](CC4CC4)CC3)co2)c1 c1csc(c1)[*:1] c1oc(nc1CN1CC[NH+](CC1)CC1CC1)[*:1]
CCc1cc(N2CCN(CCC(=O)OC)C[C@@H]2C)nc(-c2ccccn2)n1 COC(=O)CC[*:1] CCc1cc(nc(n1)-c1ccccn1)N1CCN(C[C@@H]1C)[*:1]
CCc1cc(N2CCN(CCC(=O)OC)C[C@@H]2C)nc(-c2ccccn2)n1 COC(=O)C[*:1] CCc1cc(nc(n1)-c1ccccn1)N1CCN(C[C@@H]1C)C[*:1]
CCc1cc(N2CCN(CCC(=O)OC)C[C@@H]2C)nc(-c2ccccn2)n1 COC(=O)[*:1] CCc1cc(nc(n1)-c1ccccn1)N1CCN(CC[*:1])C[C@@H]1C
CCc1cc(N2CCN(CCC(=O)OC)C[C@@H]2C)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CCc1cc(nc(n1)[*:1])N1CCN(CCC(=O)OC)C[C@@H]1C
Cc1nn(CCO)c(C)c1CN(C)[C@H](C)Cc1ccsc1 OCC[*:1] Cc1nn(c(C)c1CN(C)[C@H](C)Cc1ccsc1)[*:1]
Cc1nn(CCO)c(C)c1CN(C)[C@H](C)Cc1ccsc1 c1cc(cs1)C[*:1] Cc1nn(CCO)c(C)c1CN(C)[C@H](C)[*:1]
Cc1nn(CCO)c(C)c1CN(C)[C@H](C)Cc1ccsc1 c1cc(cs1)[*:1] Cc1nn(CCO)c(C)c1CN(C)[C@H](C)C[*:1]
CC(C)(CNC(=O)N1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 C1CO[C@@H](C1)C[*:1] CC(C)(CNC(=O)N1CCN(CC1)[*:1])c1ccc(Cl)cc1
CC(C)(CNC(=O)N1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(CNC(=O)N1CCN(CC1)C[C@@H]1CCCO1)[*:1]
CC(C)(C)NC(=[NH2+])NCCC(=O)NC1CC1 C1CC1[*:1] CC(C)(C)NC(=[NH2+])NCCC(=O)N[*:1]
CC(C)(C)NC(=[NH2+])NCCC(=O)NC1CC1 CC(C)(C)[*:1] [NH2+]=C(NCCC(=O)NC1CC1)N[*:1]
CO[C@H](C(=O)Nc1ccn(CCc2ccncc2)n1)c1ccccc1 c1cc(ccn1)[*:1] CO[C@H](C(=O)Nc1ccn(CC[*:1])n1)c1ccccc1
CO[C@H](C(=O)Nc1ccn(CCc2ccncc2)n1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)Nc1ccn(CCc2ccncc2)n1)[*:1]
CO[C@H](C(=O)Nc1ccn(CCc2ccncc2)n1)c1ccccc1 c1cc(ccn1)C[*:1] CO[C@H](C(=O)Nc1ccn(C[*:1])n1)c1ccccc1
CO[C@H](C(=O)Nc1ccn(CCc2ccncc2)n1)c1ccccc1 c1cc(ccn1)CC[*:1] CO[C@H](C(=O)Nc1ccn(n1)[*:1])c1ccccc1
CC(C)C[C@H](CO)Nc1ncc(Br)cn1 CC(C)C[*:1] OC[C@H](Nc1ncc(Br)cn1)[*:1]
CC(C)C[C@H](CO)Nc1ncc(Br)cn1 CC(C)[*:1] OC[C@@H](C[*:1])Nc1ncc(Br)cn1
C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H](NC(=O)CCC[*:1])c1ccc2OCCOc2c1
CCc1noc(CC)c1CC(=O)N1CCC[C@@H](COc2ccccc2)C1 c1ccc(cc1)O[*:1] CCc1noc(CC)c1CC(=O)N1CCC[C@H](C1)C[*:1]
CCc1noc(CC)c1CC(=O)N1CCC[C@@H](COc2ccccc2)C1 c1ccc(cc1)OC[*:1] CCc1noc(CC)c1CC(=O)N1CCC[C@@H](C1)[*:1]
CCc1noc(CC)c1CC(=O)N1CCC[C@@H](COc2ccccc2)C1 c1ccc(cc1)[*:1] CCc1noc(CC)c1CC(=O)N1CCC[C@@H](CO[*:1])C1
Cc1ccc(/C=C/CC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CC=C[*:1])NCc1cccc(c1)CN1CCOCC1
Cc1ccc(/C=C/CC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 C1CN(CCO1)[*:1] Cc1ccc(/C=C/CC(=O)NCc2cccc(c2)C[*:1])cc1
Cc1ccc(/C=C/CC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(/C=C/CC(=O)NCc2cccc(c2)[*:1])cc1
Cc1ccc(/C=C/CC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 Cc1ccc(C=C[*:1])cc1 O=C(C[*:1])NCc1cccc(c1)CN1CCOCC1
Cc1nc(NC[C@H]2CCCO2)nc(C)c1CC(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[*:1])NC[C@H]1CCCO1
Cc1nc(NC[C@H]2CCCO2)nc(C)c1CC(C)C C1CO[C@H](C1)[*:1] Cc1nc(nc(C)c1CC(C)C)NC[*:1]
Cc1nc(NC[C@H]2CCCO2)nc(C)c1CC(C)C CC(C)C[*:1] Cc1nc(nc(C)c1[*:1])NC[C@H]1CCCO1
Cc1nc(NC[C@H]2CCCO2)nc(C)c1CC(C)C C1CO[C@H](C1)C[*:1] Cc1nc(nc(C)c1CC(C)C)N[*:1]
Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2F)cccc1C(N)=O O=[N+]([O-])[*:1] Cc1c(cccc1C(N)=O)NC(=O)c1ccc(cc1F)[*:1]
Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2F)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(cc1F)[N+](=O)[O-]
Cc1nnnn1-c1cccc(N[C@H]2CSCC(C)(C)C2)c1 Cc1nnnn1[*:1] CC1(C)CSC[C@@H](C1)Nc1cccc(c1)[*:1]
COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-c1nonc1NC(=O)[C@H](C)O[*:1]
COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1O[C@@H](C)C(=O)Nc1nonc1[*:1]
COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2OC)cc1 COc1ccccc1O[*:1] COc1ccc(cc1)-c1nonc1NC(=O)[C@H](C)[*:1]
Cc1cccc(Oc2ccc(NC(=O)Cn3ccccc3=O)cc2)c1 O=c1ccccn1C[*:1] Cc1cccc(c1)Oc1ccc(cc1)NC(=O)[*:1]
Cc1cccc(Oc2ccc(NC(=O)Cn3ccccc3=O)cc2)c1 Cc1cccc(c1)[*:1] O=C(Cn1ccccc1=O)Nc1ccc(cc1)O[*:1]
Cc1cccc(Oc2ccc(NC(=O)Cn3ccccc3=O)cc2)c1 O=c1ccccn1[*:1] Cc1cccc(c1)Oc1ccc(cc1)NC(=O)C[*:1]
Cc1cccc(Oc2ccc(NC(=O)Cn3ccccc3=O)cc2)c1 Cc1cccc(c1)O[*:1] O=C(Cn1ccccc1=O)Nc1ccc(cc1)[*:1]
COc1ccccc1SC[C@H](C)CS C[C@H](CS)[*:1] COc1ccccc1SC[*:1]
CCOc1ccc([C@@H](CC[C@H]2CCCCO2)[NH2+]C)c(Br)c1 C1CC[C@H](C[*:1])OC1 CCOc1ccc(c(Br)c1)[C@@H](C[*:1])[NH2+]C
CCOc1ccc([C@@H](CC[C@H]2CCCCO2)[NH2+]C)c(Br)c1 C1CC[C@@H](OC1)[*:1] CCOc1ccc(c(Br)c1)[C@@H](CC[*:1])[NH2+]C
CCOc1ccc([C@@H](CC[C@H]2CCCCO2)[NH2+]C)c(Br)c1 CCO[*:1] C[NH2+][C@H](CC[C@H]1CCCCO1)c1ccc(cc1Br)[*:1]
Cc1nnc(NC(=O)CCCn2cnc3ccccc3c2=O)s1 Cc1nnc(s1)[*:1] O=C(CCCn1cnc2ccccc2c1=O)N[*:1]
C[C@H](N1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1)C(F)(F)F FC(F)(F)[*:1] C[C@H](N1CCN(CC1)Cc1cnn(c1)-c1ccc(F)cc1)[*:1]
C[C@H](N1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1)C(F)(F)F Fc1ccc(cc1)[*:1] C[C@H](N1CCN(CC1)Cc1cnn(c1)[*:1])C(F)(F)F
CN1CCN(C(=S)SCc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 Fc1ccc(cc1)N[*:1] CN1CCN(CC1)C(=S)SCc1nc(N)nc(n1)[*:1]
CN1CCN(C(=S)SCc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 Fc1ccc(cc1)[*:1] CN1CCN(CC1)C(=S)SCc1nc(N)nc(n1)N[*:1]
Cc1cccc(C)c1CCNC(=O)N(C)C[C@H](C)O C[C@H](O)[*:1] Cc1cccc(C)c1CCNC(=O)N(C)C[*:1]
Cc1cccc(C)c1CCNC(=O)N(C)C[C@H](C)O C[C@H](O)C[*:1] Cc1cccc(C)c1CCNC(=O)N(C)[*:1]
COc1ccccc1CNC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 COc1ccccc1C[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nc2ccccc2[nH]1
COc1ccccc1CNC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 COc1ccccc1[*:1] O=C(NC[*:1])N1CCC[C@H](C1)c1nc2ccccc2[nH]1
COc1ccccc1CNC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccccc1CNC(=O)N1CCC[C@@H](C1)[*:1]
Cc1cc(C)c(NC(=O)[C@@H](C)NC(=O)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)[C@@H](C)NC(=O)[*:1])c(C)c1
COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OC[NH+](CCN2CCOCC2)C3)C1=O C1CN(CCO1)[*:1] COc1ccccc1/C=C1\Oc2c(cc3C[NH+](CC[*:1])COc3c2C)C1=O
COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OC[NH+](CCN2CCOCC2)C3)C1=O C1CN(CCO1)CC[*:1] COc1ccccc1/C=C1\Oc2c(cc3C[NH+](COc3c2C)[*:1])C1=O
COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OC[NH+](CCN2CCOCC2)C3)C1=O COc1ccccc1[*:1] Cc1c2OC[NH+](CCN3CCOCC3)Cc2cc2C(=O)C(=C[*:1])Oc21
COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OC[NH+](CCN2CCOCC2)C3)C1=O C1CN(CCO1)C[*:1] COc1ccccc1/C=C1\Oc2c(cc3C[NH+](COc3c2C)C[*:1])C1=O
Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 Clc1cccc(c1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)Nc1ccc(F)cc1F
Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 Fc1ccc(c(F)c1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3cccc(Cl)c3)c21)C(=O)N[*:1]
COc1ccccc1/C=C1\Oc2ccc(C(=O)NCc3ccc(C)cc3)cc2NC1=O Cc1ccc(cc1)C[*:1] COc1ccccc1/C=C1\Oc2ccc(cc2NC1=O)C(=O)N[*:1]
COc1ccccc1/C=C1\Oc2ccc(C(=O)NCc3ccc(C)cc3)cc2NC1=O COc1ccccc1[*:1] Cc1ccc(cc1)CNC(=O)c1ccc2OC(=C[*:1])C(=O)Nc2c1
COc1ccccc1/C=C1\Oc2ccc(C(=O)NCc3ccc(C)cc3)cc2NC1=O Cc1ccc(cc1)[*:1] COc1ccccc1/C=C1\Oc2ccc(cc2NC1=O)C(=O)NC[*:1]
NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 NC(=O)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)N1Cc2ccccc2C[C@@H]1[*:1]
CCn1ncc2c(C(=O)Nc3ncc(C)s3)cc(-c3cccs3)nc21 c1csc(c1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)Nc1ncc(C)s1
CCn1ncc2c(C(=O)Nc3ncc(C)s3)cc(-c3cccs3)nc21 Cc1cnc(s1)[*:1] CCn1ncc2c(cc(nc21)-c1cccs1)C(=O)N[*:1]
CN(C)c1ccc(NC(=O)N[C@@H](CO)Cc2ccccc2)c[nH+]1 c1ccc(cc1)C[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N[C@@H](CO)[*:1]
CN(C)c1ccc(NC(=O)N[C@@H](CO)Cc2ccccc2)c[nH+]1 CN(C)[*:1] O=C(Nc1ccc([nH+]c1)[*:1])N[C@@H](CO)Cc1ccccc1
CN(C)c1ccc(NC(=O)N[C@@H](CO)Cc2ccccc2)c[nH+]1 c1ccc(cc1)[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N[C@@H](CO)C[*:1]
COCCn1cc(Nc2nn3c(C(F)(F)F)nnc3c(C)c2C)cn1 COC[*:1] Cc1c(nn2c(nnc2c1C)C(F)(F)F)Nc1cnn(c1)C[*:1]
COCCn1cc(Nc2nn3c(C(F)(F)F)nnc3c(C)c2C)cn1 COCC[*:1] Cc1c(nn2c(nnc2c1C)C(F)(F)F)Nc1cnn(c1)[*:1]
COCCn1cc(Nc2nn3c(C(F)(F)F)nnc3c(C)c2C)cn1 FC(F)(F)[*:1] COCCn1cc(cn1)Nc1nn2c(nnc2c(C)c1C)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)[C@@H](C)NC(=O)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)c1 CC(=O)N[*:1] C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(c1)[*:1]
O=C1C[C@H]([NH2+]Cc2cccc(O)c2)CN1Cc1ccc(F)cc1 Oc1cccc(c1)[*:1] O=C1C[C@@H](CN1Cc1ccc(F)cc1)[NH2+]C[*:1]
O=C1C[C@H]([NH2+]Cc2cccc(O)c2)CN1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](CN1C[*:1])[NH2+]Cc1cccc(O)c1
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(S(=O)(=O)C1=Cc3ccccc3CC1)CC2 c1csc(c1)[*:1] COc1cc2CCN([C@H](c2cc1OC)[*:1])S(=O)(=O)C1=Cc2ccccc2CC1
O=C(CCNS(=O)(=O)c1cc(Br)ccc1Br)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)c1cc(Br)ccc1Br)N[*:1]
O=C(CCNS(=O)(=O)c1cc(Br)ccc1Br)Nc1ccc(Cl)cc1 Brc1ccc(Br)c(c1)[*:1] O=C(CCNS(=O)(=O)[*:1])Nc1ccc(Cl)cc1
CC(C)CC1(CNC(=O)[C@@H]2CCC(=O)N2)CCCC1 O=C1CC[C@H](N1)[*:1] CC(C)CC1(CCCC1)CNC(=O)[*:1]
CC(C)CC1(CNC(=O)[C@@H]2CCC(=O)N2)CCCC1 CC(C)[*:1] O=C1CC[C@H](N1)C(=O)NCC1(CCCC1)C[*:1]
CC(C)CC1(CNC(=O)[C@@H]2CCC(=O)N2)CCCC1 CC(C)C[*:1] O=C1CC[C@H](N1)C(=O)NCC1(CCCC1)[*:1]
CCOc1ccc(C(C)=O)c(C)c1 CCO[*:1] CC(=O)c1ccc(cc1C)[*:1]
CCOc1ccc(C(C)=O)c(C)c1 CC(=O)[*:1] CCOc1ccc(c(C)c1)[*:1]
Cc1c(C)n(CCCO)c2nc[n+](Cc3ccco3)c(N)c12 c1coc(c1)C[*:1] Cc1c(C)n(CCCO)c2nc[n+](c(N)c12)[*:1]
Cc1c(C)n(CCCO)c2nc[n+](Cc3ccco3)c(N)c12 c1coc(c1)[*:1] Cc1c(C)n(CCCO)c2nc[n+](C[*:1])c(N)c12
Cc1c(C)n(CCCO)c2nc[n+](Cc3ccco3)c(N)c12 OCC[*:1] Cc1c(C)n(C[*:1])c2nc[n+](Cc3ccco3)c(N)c12
Cc1c(C)n(CCCO)c2nc[n+](Cc3ccco3)c(N)c12 OCCC[*:1] Cc1c(C)n(c2nc[n+](Cc3ccco3)c(N)c12)[*:1]
CC(=O)N1CCN(c2ccccc2C[NH+](C)Cc2ccc(C)s2)CC1 Cc1ccc(s1)[*:1] CC(=O)N1CCN(CC1)c1ccccc1C[NH+](C)C[*:1]
C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cn3cccnc3n2)CC1 C[C@@H]1CCCCN1C(=O)[*:1] O=C(c1cn2cccnc2n1)N1CCN(CC1)C[*:1]
C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cn3cccnc3n2)CC1 c1cnc2nc(cn2c1)[*:1] C[C@@H]1CCCCN1C(=O)CN1CCN(CC1)C(=O)[*:1]
O=C(NCc1cccnc1-n1cccn1)N[C@H]1c2ccccc2C[C@H]1O c1cnn(c1)[*:1] O=C(NCc1cccnc1[*:1])N[C@H]1c2ccccc2C[C@H]1O
O=C(C[NH+]1CCC(CN2CCOCC2)CC1)NCC1CCCCC1 C1CN(CCO1)C[*:1] O=C(C[NH+]1CCC(CC1)[*:1])NCC1CCCCC1
O=C(C[NH+]1CCC(CN2CCOCC2)CC1)NCC1CCCCC1 C1CCC(CC1)[*:1] O=C(C[NH+]1CCC(CC1)CN1CCOCC1)NC[*:1]
O=C(C[NH+]1CCC(CN2CCOCC2)CC1)NCC1CCCCC1 C1CCC(CC1)C[*:1] O=C(C[NH+]1CCC(CC1)CN1CCOCC1)N[*:1]
O=C(C[NH+]1CCC(CN2CCOCC2)CC1)NCC1CCCCC1 C1CN(CCO1)[*:1] O=C(C[NH+]1CCC(CC1)C[*:1])NCC1CCCCC1
COCc1cc(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)ccc1F C1CC1[*:1] COCc1cc(ccc1F)C(=O)Nc1cccc(c1)-c1nc(n[nH]1)[*:1]
COCc1cc(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)ccc1F C1CC1c1n[nH]c(n1)[*:1] COCc1cc(ccc1F)C(=O)Nc1cccc(c1)[*:1]
COCc1cc(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)ccc1F COC[*:1] O=C(Nc1cccc(c1)-c1nc(n[nH]1)C1CC1)c1ccc(F)c(c1)[*:1]
Cc1ccccc1-n1c(C)nnc1S[C@@H]1CCN(C)C1=O Cc1ccccc1[*:1] Cc1nnc(S[C@@H]2CCN(C)C2=O)n1[*:1]
COC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)nc1 COC(=O)[C@@H](C)[*:1] COc1ccc(cn1)C[NH2+][C@H](C)[*:1]
COC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)nc1 COC(=O)[*:1] COc1ccc(cn1)C[NH2+][C@H](C)[C@H](C)[*:1]
COc1ccccc1[C@H](C)NC(=O)CSCc1ccccc1Br Brc1ccccc1[*:1] COc1ccccc1[C@H](C)NC(=O)CSC[*:1]
C[C@@H](NC(=O)c1coc(CN2CCOCC2)c1)c1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] C[C@@H](NC(=O)c1coc(c1)CN1CCOCC1)c1cnn(c1)[*:1]
C[C@@H](NC(=O)c1coc(CN2CCOCC2)c1)c1cnn(-c2ccccc2F)c1 C1CN(CCO1)C[*:1] C[C@@H](NC(=O)c1coc(c1)[*:1])c1cnn(c1)-c1ccccc1F
C[C@@H](NC(=O)c1coc(CN2CCOCC2)c1)c1cnn(-c2ccccc2F)c1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)c1coc(c1)C[*:1])c1cnn(c1)-c1ccccc1F
COc1ccc2c(c1)[C@H]([NH2+]CCOCC(F)(F)F)CCC2 FC(F)(F)[*:1] COc1ccc2CCC[C@@H]([NH2+]CCOC[*:1])c2c1
COc1ccc2c(c1)[C@H]([NH2+]CCOCC(F)(F)F)CCC2 FC(F)(F)CO[*:1] COc1ccc2CCC[C@@H]([NH2+]CC[*:1])c2c1
COc1ccc2c(c1)[C@H]([NH2+]CCOCC(F)(F)F)CCC2 FC(F)(F)C[*:1] COc1ccc2CCC[C@@H]([NH2+]CCO[*:1])c2c1
COc1ccc2c(c1)[C@H]([NH2+]CCOCC(F)(F)F)CCC2 FC(F)(F)COC[*:1] COc1ccc2CCC[C@@H]([NH2+]C[*:1])c2c1
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Nc2ccc(OC(F)F)cc2)C1 FC(F)[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)Nc1ccc(cc1)O[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Nc2ccc(OC(F)F)cc2)C1 FC(F)O[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)Nc1ccc(cc1)[*:1]
COCC[NH+](C)Cn1nc(N2CCCC2)n(-c2cccc(Cl)c2)c1=S COCC[*:1] C[NH+](Cn1nc(N2CCCC2)n(-c2cccc(Cl)c2)c1=S)[*:1]
COCC[NH+](C)Cn1nc(N2CCCC2)n(-c2cccc(Cl)c2)c1=S COC[*:1] C[NH+](Cn1nc(N2CCCC2)n(-c2cccc(Cl)c2)c1=S)C[*:1]
COCC[NH+](C)Cn1nc(N2CCCC2)n(-c2cccc(Cl)c2)c1=S Clc1cccc(c1)[*:1] COCC[NH+](C)Cn1nc(N2CCCC2)n(c1=S)[*:1]
COCC[NH+](C)Cn1nc(N2CCCC2)n(-c2cccc(Cl)c2)c1=S C1CCN(C1)[*:1] COCC[NH+](C)Cn1nc(n(-c2cccc(Cl)c2)c1=S)[*:1]
CC(C)(C(=O)[O-])n1nnnc1C(F)(F)C(F)F FC(F)[*:1] CC(C)(C(=O)[O-])n1nnnc1C(F)(F)[*:1]
CC(C)(C(=O)[O-])n1nnnc1C(F)(F)C(F)F O=C([O-])[*:1] CC(C)(n1nnnc1C(F)(F)C(F)F)[*:1]
O=C(CCCn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCCn1c2ccccc2c(=O)c2ccccc21)NC[*:1]
O=C(CCCn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CCCn1c2ccccc2c(=O)c2ccccc21)N[*:1]
C=CCSC1=NC(=O)C[C@H](c2ccc(C(C)C)cc2)[C@@H]1C#N CC(C)[*:1] C=CCSC1=NC(=O)C[C@H](c2ccc(cc2)[*:1])[C@@H]1C#N
C=CCSC1=NC(=O)C[C@H](c2ccc(C(C)C)cc2)[C@@H]1C#N C=CC[*:1] CC(C)c1ccc(cc1)[C@H]1CC(=O)N=C(S[*:1])[C@H]1C#N
C[NH+](C)CCO/N=C(/C=C\c1ccc(O)cc1)c1ccccc1F Fc1ccccc1[*:1] C[NH+](C)CCON=C(/C=C\c1ccc(O)cc1)[*:1]
C[NH+](C)CCO/N=C(/C=C\c1ccc(O)cc1)c1ccccc1F Oc1ccc(cc1)[*:1] C[NH+](C)CCO/N=C(/C=C[*:1])c1ccccc1F
CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1[*:1]
CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Cl)c1 CCO[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Cl)c2)N1CCC[*:1]
CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Cl)c1 CCOCCC[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Cl)c2)N1[*:1]
CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Cl)c1 CCOC[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Cl)c2)N1CC[*:1]
CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Cl)c1 Oc1ccccc1[*:1] CCOCCCN1C(=O)c2[nH]nc(c2[C@H]1c1cccc(Cl)c1)[*:1]
CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Cl)c1 CCOCC[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Cl)c2)N1C[*:1]
CCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1C CCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(Cl)cc1
CCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] CCC(=O)Nc1cccc(NC(=O)[*:1])c1C
Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1F CS(=O)(=O)[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+][C@H]1CCC[C@H](C1)[*:1]
Cc1cc(N2CCC[C@@H](CC[NH3+])C2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CCC[C@@H](CC[NH3+])C1
Cc1cc(N2CCC[C@@H](CC[NH3+])C2)ncc1[N+](=O)[O-] [NH3+]CC[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCC[C@@H](C1)[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 NC(=O)[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Cl)c(c1)[*:1]
CC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 CC[C@H](C)[*:1] C[C@H](NC(=O)N(C)[*:1])c1ccc(cc1)OC(F)(F)F
CC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
O=C(CCCn1ccnn1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 c1cn(CCC[*:1])nn1 O=C(N1CC[C@@H](C1)Nc1ccc(cn1)[N+](=O)[O-])[*:1]
O=C(CCCn1ccnn1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CC[C@@H](C1)Nc1ccc(cn1)[N+](=O)[O-]
O=C(CCCn1ccnn1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CC[C@@H](C1)Nc1ccc(cn1)[N+](=O)[O-]
O=C(CCCn1ccnn1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 O=[N+]([O-])[*:1] O=C(CCCn1ccnn1)N1CC[C@@H](C1)Nc1ccc(cn1)[*:1]
O=C(CCCn1ccnn1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CC[C@@H](C1)Nc1ccc(cn1)[N+](=O)[O-]
O=C(Cc1ccc(Cl)c(Cl)c1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O Fc1ccccc1[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)NCCN1C(=O)SC(=C[*:1])C1=O
O=C(Cc1ccc(Cl)c(Cl)c1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O Clc1ccc(cc1Cl)[*:1] O=C(C[*:1])NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O
O=C(Cc1ccc(Cl)c(Cl)c1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O Clc1ccc(cc1Cl)C[*:1] O=C1S/C(=C\c2ccccc2F)C(=O)N1CCNC(=O)[*:1]
C[C@@H](NC(=O)CSc1nccn1C1CC1)c1ccc2c(c1)OCO2 C1CC1[*:1] C[C@@H](NC(=O)CSc1nccn1[*:1])c1ccc2OCOc2c1
C[C@@H](NC(=O)CSc1nccn1C1CC1)c1ccc2c(c1)OCO2 c1cn(c(n1)[*:1])C1CC1 C[C@@H](NC(=O)CS[*:1])c1ccc2OCOc2c1
CCC[C@H](CC)Nc1nc2ccc(Br)cn2n1 CCC[*:1] CC[C@H](Nc1nc2ccc(Br)cn2n1)[*:1]
C#Cc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] C#Cc1cccc(c1)NC(=O)c1ccc(C)c(c1)[*:1]
O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)n1nc(SCc3ccc(Cl)cc3)nc1N2 O=[N+]([O-])[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)c1cccc(c1)[*:1])SCc1ccc(Cl)cc1
O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)n1nc(SCc3ccc(Cl)cc3)nc1N2 Clc1ccc(cc1)[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)c1cccc(c1)[N+](=O)[O-])SC[*:1]
O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)n1nc(SCc3ccc(Cl)cc3)nc1N2 O=[N+]([O-])c1cccc(c1)[*:1] O=C1CCCC2Nc3nc(nn3[C@@H](C=21)[*:1])SCc1ccc(Cl)cc1
O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)n1nc(SCc3ccc(Cl)cc3)nc1N2 Clc1ccc(cc1)C[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)c1cccc(c1)[N+](=O)[O-])S[*:1]
O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)n1nc(SCc3ccc(Cl)cc3)nc1N2 Clc1ccc(cc1)CS[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)cn1 c1cnn(c1)[*:1] Cc1ccc(cn1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)cn1 Cc1ccc(cn1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-n1cccn1
Cc1nc(C)n(-c2ccccc2NC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)n1 Cc1nc(C)n(n1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1ccccc1[*:1]
CC(=O)N[C@H](CC(=O)N1CCC(C)CC1)c1ccc(Cl)cc1 CC(=O)N[*:1] CC1CCN(CC1)C(=O)C[C@H](c1ccc(Cl)cc1)[*:1]
CC(=O)N[C@H](CC(=O)N1CCC(C)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N1CCC(C)CC1)[*:1]
CC[C@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(CC(=O)Nc4cccc(C)c4)c(=O)n3c2c1 Cc1cccc(c1)NC(=O)[*:1] CC[C@H](C)NC(=O)c1ccc2c(=O)n(c3nn(C[*:1])c(=O)n3c2c1)C(C)C
CC[C@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(CC(=O)Nc4cccc(C)c4)c(=O)n3c2c1 Cc1cccc(c1)NC(=O)C[*:1] CC[C@H](C)NC(=O)c1ccc2c(=O)n(c3nn(c(=O)n3c2c1)[*:1])C(C)C
CC[C@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(CC(=O)Nc4cccc(C)c4)c(=O)n3c2c1 Cc1cccc(c1)[*:1] CC[C@H](C)NC(=O)c1ccc2c(=O)n(c3nn(CC(=O)N[*:1])c(=O)n3c2c1)C(C)C
CC[C@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(CC(=O)Nc4cccc(C)c4)c(=O)n3c2c1 CC(C)[*:1] CC[C@H](C)NC(=O)c1ccc2c(=O)n(c3nn(CC(=O)Nc4cccc(C)c4)c(=O)n3c2c1)[*:1]
O=S(=O)(/N=C(\[O-])c1cn(Cc2ccccc2)nn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])c1cn(Cc2ccccc2)nn1)[*:1]
O=S(=O)(/N=C(\[O-])c1cn(Cc2ccccc2)nn1)c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=S(=O)(/N=C(\[O-])c1cn(nn1)[*:1])c1ccc(F)cc1
O=S(=O)(/N=C(\[O-])c1cn(Cc2ccccc2)nn1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])c1cn(C[*:1])nn1)c1ccc(F)cc1
Cc1c(CO)[nH+]cn1C(c1ccccc1)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(CO)[nH+]cn1C(c1ccccc1)(c1ccccc1)[*:1]
CCn1c(C2CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)nn(C)c1=O c1cc(n[nH]1)[*:1] CCn1c(nn(C)c1=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCn1c(C2CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)nn(C)c1=O CCn1c(nn(C)c1=O)[*:1] O=C(c1ccc(cc1)-c1cc[nH]n1)N1CCC(CC1)[*:1]
O=C(CCn1cccc1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1cccc1)NCC[*:1]
O=C(CCn1cccc1)NCCc1ccccc1 c1ccn(c1)[*:1] O=C(CC[*:1])NCCc1ccccc1
O=C(CCn1cccc1)NCCc1ccccc1 c1ccn(c1)C[*:1] O=C(C[*:1])NCCc1ccccc1
Cc1nc([C@H]2CCCCN2C(=O)Cc2ccccn2)ncc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] Cc1nc(ncc1[*:1])[C@H]1CCCCN1C(=O)Cc1ccccn1
Cc1nc([C@H]2CCCCN2C(=O)Cc2ccccn2)ncc1C(=O)N1CCCCC1 c1ccc(nc1)[*:1] Cc1nc(ncc1C(=O)N1CCCCC1)[C@H]1CCCCN1C(=O)C[*:1]
Cc1nc([C@H]2CCCCN2C(=O)Cc2ccccn2)ncc1C(=O)N1CCCCC1 c1ccc(C[*:1])nc1 Cc1nc(ncc1C(=O)N1CCCCC1)[C@H]1CCCCN1C(=O)[*:1]
CNC(=O)CC[NH+]1CCC(CC(=O)[O-])CC1 CNC(=O)C[*:1] O=C([O-])CC1CC[NH+](CC1)C[*:1]
CNC(=O)CC[NH+]1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] CNC(=O)CC[NH+]1CCC(CC1)C[*:1]
CNC(=O)CC[NH+]1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] CNC(=O)CC[NH+]1CCC(CC1)[*:1]
CNC(=O)CC[NH+]1CCC(CC(=O)[O-])CC1 CNC(=O)[*:1] O=C([O-])CC1CC[NH+](CC1)CC[*:1]
O=C(NCc1cccnc1-n1cncn1)[C@@H]1Cc2cc(Cl)ccc2O1 c1ncn(n1)[*:1] O=C(NCc1cccnc1[*:1])[C@@H]1Cc2cc(Cl)ccc2O1
C[C@H](NC(=O)N1CCC[C@H](CO)C1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)N1CCC[C@H](CO)C1)c1ccc(cc1)[*:1]
Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(C(C)C)n1 CC(C)[*:1] Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(n1)[*:1]
C[NH+](C)Cc1ccc(CNC(=O)NC[C@@](C)(O)c2ccsc2)cc1 c1cc(cs1)[*:1] C[NH+](C)Cc1ccc(cc1)CNC(=O)NC[C@@](C)(O)[*:1]
Cc1nnc(CNC(=O)CCn2ccc3cc(Cl)ccc32)s1 Cc1nnc(C[*:1])s1 O=C(CCn1ccc2cc(Cl)ccc21)N[*:1]
Cc1nnc(CNC(=O)CCn2ccc3cc(Cl)ccc32)s1 Cc1nnc(s1)[*:1] O=C(CCn1ccc2cc(Cl)ccc21)NC[*:1]
O=C(C[C@@H]1COCCN1C(=O)c1cn2cccnc2n1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(C[C@@H]1COCCN1C(=O)c1cn2cccnc2n1)N[*:1]
O=C(C[C@@H]1COCCN1C(=O)c1cn2cccnc2n1)Nc1cccnc1 c1cnc2nc(cn2c1)[*:1] O=C(C[C@@H]1COCCN1C(=O)[*:1])Nc1cccnc1
O=C(C[C@@H]1COCCN1C(=O)c1cn2cccnc2n1)Nc1cccnc1 O=C(Nc1cccnc1)[*:1] O=C(c1cn2cccnc2n1)N1CCOC[C@H]1C[*:1]
NC(=O)c1cc(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)ccc1F NC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1ccc(nc1)-n1cnc2ccccc21
NC(=O)c1cc(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)ccc1F c1ccc2c(c1)ncn2[*:1] NC(=O)c1cc(ccc1F)NC(=O)c1ccc(nc1)[*:1]
C[C@H](C(=O)[O-])S(=O)(=O)NC[C@@H]1CN(C)CCO1 O=C([O-])[*:1] C[C@H](S(=O)(=O)NC[C@@H]1CN(C)CCO1)[*:1]
O=S(=O)(C/N=C(\N=C=S)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(C/N=C(\N=C=S)[*:1])c1ccccc1
O=S(=O)(C/N=C(\N=C=S)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(C/N=C(\N=C=S)c1ccccc1)[*:1]
CCOc1ccc2[nH]c(=O)c(CNc3cccc(C)c3)cc2c1 Cc1cccc(c1)[*:1] CCOc1ccc2[nH]c(=O)c(cc2c1)CN[*:1]
CCOc1ccc2[nH]c(=O)c(CNc3cccc(C)c3)cc2c1 CCO[*:1] Cc1cccc(c1)NCc1cc2cc(ccc2[nH]c1=O)[*:1]
CC(C)[NH2+]Cc1ccc(F)c([C@@H]2CCc3cccnc32)c1 CC(C)[*:1] Fc1ccc(cc1[C@@H]1CCc2cccnc21)C[NH2+][*:1]
Cc1nn(C)c(C)c1CC(=O)NCC1(c2ccc(F)cc2F)CC1 Cc1nn(C)c(C)c1[*:1] O=C(C[*:1])NCC1(CC1)c1ccc(F)cc1F
Cc1nn(C)c(C)c1CC(=O)NCC1(c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] Cc1nn(C)c(C)c1CC(=O)NCC1(CC1)[*:1]
O=C(Cc1nc2ccccc2o1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cc1nc2ccccc2o1)C(=O)N[*:1]
CCn1cc[nH+]c1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCn1cc[nH+]c1CNC(=O)C[C@@H]1C(=O)NCCN1C[*:1]
CCn1cc[nH+]c1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)C[*:1] CCn1cc[nH+]c1CNC(=O)C[C@@H]1C(=O)NCCN1[*:1]
CC(C)[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
COc1cccc(CNC(=O)c2cc(NC(=O)Cc3ccccc3)n(C)n2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)CNC(=O)c1cc(NC(=O)[*:1])n(C)n1
COc1cccc(CNC(=O)c2cc(NC(=O)Cc3ccccc3)n(C)n2)c1 COc1cccc(c1)[*:1] Cn1nc(cc1NC(=O)Cc1ccccc1)C(=O)NC[*:1]
COc1cccc(CNC(=O)c2cc(NC(=O)Cc3ccccc3)n(C)n2)c1 COc1cccc(c1)C[*:1] Cn1nc(cc1NC(=O)Cc1ccccc1)C(=O)N[*:1]
COc1cccc(CNC(=O)c2cc(NC(=O)Cc3ccccc3)n(C)n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)c1cc(NC(=O)C[*:1])n(C)n1
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)NC)cc2)C1 CCC[C@@H](C)[*:1] CNC(=O)c1ccc(cc1)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)NC)cc2)C1 CCC[*:1] CNC(=O)c1ccc(cc1)NC(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)NC)cc2)C1 CNC(=O)[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)NC)cc2)C1 CCC[C@@H](C)NC(=O)[*:1] CNC(=O)c1ccc(cc1)NC(=O)N1CCC[C@H](C1)[*:1]
CCCCCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1 CCCCC[*:1] O=C1N=C(N=C2S[C@@H]3CCCCC3=C12)[*:1]
CCCCCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1 CCC[*:1] O=C1N=C(CC[*:1])N=C2S[C@@H]3CCCCC3=C12
CCCCCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1 CCCC[*:1] O=C1N=C(C[*:1])N=C2S[C@@H]3CCCCC3=C12
O=C(/C=C/c1cccs1)Nc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccccc12 O=C(/C=C/c1cccs1)N[*:1] O=C(c1oc2ccccc2c1[*:1])N1CCN(CC1)c1ccccc1
O=C(/C=C/c1cccs1)Nc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccccc12 c1ccc(cc1)[*:1] O=C(/C=C/c1cccs1)Nc1c(oc2ccccc12)C(=O)N1CCN(CC1)[*:1]
O=C(/C=C/c1cccs1)Nc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccccc12 C(=C[*:1])c1cccs1 O=C(c1oc2ccccc2c1NC(=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(/C=C/c1cccs1)Nc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccccc12 c1csc(c1)[*:1] O=C(C=C[*:1])Nc1c(oc2ccccc12)C(=O)N1CCN(CC1)c1ccccc1
CSc1nc2ccccc2c(Nc2ccc(C(C)=O)cc2)c1C#N CC(=O)[*:1] CSc1nc2ccccc2c(Nc2ccc(cc2)[*:1])c1C#N
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1nn(c(C)c1N1CCN(CC1)S(=O)(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
CNC(=O)NCCS(=O)(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CNC(=O)NCCS(=O)(=O)NC[*:1]
CNC(=O)NCCS(=O)(=O)NCc1ccccc1 CNC(=O)N[*:1] O=S(=O)(CC[*:1])NCc1ccccc1
CNC(=O)NCCS(=O)(=O)NCc1ccccc1 CNC(=O)NC[*:1] O=S(=O)(C[*:1])NCc1ccccc1
COc1cccc(-c2nc(C[S@](=O)Cc3ccc(C)cc3)cs2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)-c1nc(cs1)C[S@](=O)C[*:1]
COc1cccc(-c2nc(C[S@](=O)Cc3ccc(C)cc3)cs2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)C[S@@](=O)Cc1csc(n1)[*:1]
COc1cccc(-c2nc(C[S@](=O)Cc3ccc(C)cc3)cs2)c1 Cc1ccc(cc1)C[*:1] COc1cccc(c1)-c1nc(cs1)C[S@](=O)[*:1]
CC(=O)NCC(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 Fc1ccc(cc1)[*:1] CC(=O)NCC(=O)N1CCc2nc(nc(O[*:1])c2C1)N1CCCC1
CC(=O)NCC(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 CC(=O)N[*:1] O=C(C[*:1])N1CCc2nc(nc(Oc3ccc(F)cc3)c2C1)N1CCCC1
CC(=O)NCC(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 C1CCN(C1)[*:1] CC(=O)NCC(=O)N1CCc2nc(nc(Oc3ccc(F)cc3)c2C1)[*:1]
CC(=O)NCC(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 Fc1ccc(cc1)O[*:1] CC(=O)NCC(=O)N1CCc2nc(nc(c2C1)[*:1])N1CCCC1
CC(=O)NCC(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 CC(=O)NC[*:1] O=C(N1CCc2nc(nc(Oc3ccc(F)cc3)c2C1)N1CCCC1)[*:1]
O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 Clc1ccc(C=C[*:1])c(Cl)c1 O=C(N1CCN(CC1)c1ccc(c2cccnc12)[N+](=O)[O-])[*:1]
O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(C=C[*:1])N1CCN(CC1)c1ccc(c2cccnc12)[N+](=O)[O-]
O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(CC1)c1ccc(c2cccnc12)[*:1]
CN(C)c1cccc(C(=O)N2CCN(Cc3nc4ccccc4n3Cc3ccccc3)CC2)c1 CN(C)[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)Cc1nc2ccccc2n1Cc1ccccc1
CN(C)c1cccc(C(=O)N2CCN(Cc3nc4ccccc4n3Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] CN(C)c1cccc(c1)C(=O)N1CCN(CC1)Cc1nc2ccccc2n1[*:1]
CN(C)c1cccc(C(=O)N2CCN(Cc3nc4ccccc4n3Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CN(C)c1cccc(c1)C(=O)N1CCN(CC1)Cc1nc2ccccc2n1C[*:1]
CN(C)c1cccc(C(=O)N2CCN(Cc3nc4ccccc4n3Cc3ccccc3)CC2)c1 CN(C)c1cccc(c1)[*:1] O=C(N1CCN(CC1)Cc1nc2ccccc2n1Cc1ccccc1)[*:1]
Cn1ccc(C(=O)Nc2nnc(-c3cccs3)o2)n1 c1csc(c1)[*:1] Cn1ccc(n1)C(=O)Nc1nnc(o1)[*:1]
Cn1ccc(C(=O)Nc2nnc(-c3cccs3)o2)n1 Cn1ccc(n1)[*:1] O=C(Nc1nnc(o1)-c1cccs1)[*:1]
COc1ccc(OC)c(C(=O)Nc2ccncc2)c1 c1cc(ccn1)[*:1] COc1ccc(OC)c(c1)C(=O)N[*:1]
COc1ccc([C@H](NC(=O)NC(CO)CO)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(NC(CO)CO)N[C@H](c1ccccc1)[*:1]
COc1ccc([C@H](NC(=O)NC(CO)CO)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](NC(=O)NC(CO)CO)[*:1]
COc1ccc([C@H](NC(=O)NC(CO)CO)c2ccccc2)cc1 OCC(CO)[*:1] COc1ccc(cc1)[C@H](NC(=O)N[*:1])c1ccccc1
CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc(C4CC4)no3)nnc12 CCC[*:1] C[C@H](Sc1nnc2n(c(=O)c3ccccc3n12)[*:1])c1nc(no1)C1CC1
CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc(C4CC4)no3)nnc12 C1CC1[*:1] CCCn1c(=O)c2ccccc2n2c(nnc12)S[C@@H](C)c1nc(no1)[*:1]
CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc(C4CC4)no3)nnc12 C1CC1c1noc(n1)[*:1] CCCn1c(=O)c2ccccc2n2c(nnc12)S[C@@H](C)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccnnc2C)cc1 Cc1nnccc1[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 N#Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1ccc2CCCCc2c1
C[C@H](N[C@H]1CC[C@H]([NH+](C)C)C1)c1ccc(F)cc1OC(F)F FC(F)O[*:1] C[C@H](N[C@H]1CC[C@@H](C1)[NH+](C)C)c1ccc(F)cc1[*:1]
C[C@H](N[C@H]1CC[C@H]([NH+](C)C)C1)c1ccc(F)cc1OC(F)F FC(F)[*:1] C[C@H](N[C@H]1CC[C@@H](C1)[NH+](C)C)c1ccc(F)cc1O[*:1]
CCC[C@@H]1C(=O)NC(=O)CC12CCCCCC2 CCC[*:1] O=C1CC2(CCCCCC2)[C@@H](C(=O)N1)[*:1]
O=C(CCc1ccc(Cl)cc1Cl)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(CCc1ccc(Cl)cc1Cl)N1CCOC[C@H]1[*:1]
Cc1c(O)ccc2c(CN(C)CCc3cccs3)cc(=O)oc12 c1csc(c1)C[*:1] Cc1c(O)ccc2c(cc(=O)oc12)CN(C)C[*:1]
Cc1c(O)ccc2c(CN(C)CCc3cccs3)cc(=O)oc12 c1csc(c1)[*:1] Cc1c(O)ccc2c(cc(=O)oc12)CN(C)CC[*:1]
Cc1c(O)ccc2c(CN(C)CCc3cccs3)cc(=O)oc12 c1csc(c1)CC[*:1] Cc1c(O)ccc2c(cc(=O)oc12)CN(C)[*:1]
C[C@H]1CN(C(=O)c2n[nH]c3ccccc23)[C@H](C)CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(C(=O)c2n[nH]c3ccccc23)[C@H](C)CN1C(=O)O[*:1]
C#CC[C@@H](C)OC(=O)c1ccc(Br)s1 C#CC[*:1] C[C@@H](OC(=O)c1ccc(Br)s1)[*:1]
CCOc1cc(-c2nc(Cc3ccc(F)cc3)no2)ccc1OC Fc1ccc(cc1)C[*:1] CCOc1cc(ccc1OC)-c1nc(no1)[*:1]
CCOc1cc(-c2nc(Cc3ccc(F)cc3)no2)ccc1OC Fc1ccc(cc1)[*:1] CCOc1cc(ccc1OC)-c1nc(C[*:1])no1
CCOc1cc(-c2nc(Cc3ccc(F)cc3)no2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])-c1nc(Cc2ccc(F)cc2)no1
COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)CC1=O c1ccc(cc1)CC[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)N[C@H](C)[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)CC1=O c1ccc(cc1)[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)N[C@H](C)CC[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)CC1=O c1ccc(cc1)C[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)N[C@H](C)C[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)CC1=O COc1ccc(C)cc1[*:1] C[C@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C CC[C@@H]1CCCC[C@@H]1[*:1] CC(C)[C@@H](NC(=O)N[*:1])c1nc(no1)C1CC1
CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C C1CC1[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1nc(no1)[*:1])C(C)C
CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C CC(C)[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1nc(no1)C1CC1)[*:1]
CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C C1CC1c1noc(n1)[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C(C)C)[*:1]
CCn1ccc([C@H](C)NC(=O)c2cc(-c3ccccc3)nc3ncnn23)n1 c1ccc(cc1)[*:1] CCn1ccc(n1)[C@H](C)NC(=O)c1cc(nc2ncnn12)[*:1]
CCn1ccc([C@H](C)NC(=O)c2cc(-c3ccccc3)nc3ncnn23)n1 CCn1ccc(n1)[*:1] C[C@H](NC(=O)c1cc(nc2ncnn12)-c1ccccc1)[*:1]
COc1nn(C)cc1C(=O)Nc1cc(C)nn1-c1nc2ccc(C)cc2s1 COc1nn(C)cc1[*:1] Cc1ccc2nc(sc2c1)-n1nc(C)cc1NC(=O)[*:1]
O=C(NCc1cccs1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(NCc1cccs1)NC[C@@H]1CCN(C1)[*:1]
O=C(NCc1cccs1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 c1csc(c1)C[*:1] O=C(NC[C@@H]1CCN(C1)c1ccc(F)cc1)N[*:1]
O=C(NCc1cccs1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 c1csc(c1)[*:1] O=C(NC[C@@H]1CCN(C1)c1ccc(F)cc1)NC[*:1]
CCCCN(CC)c1ccc(/C([O-])=N/S(C)(=O)=O)cc1 CCCC[*:1] CCN(c1ccc(cc1)/C([O-])=N/S(C)(=O)=O)[*:1]
CCCCN(CC)c1ccc(/C([O-])=N/S(C)(=O)=O)cc1 CCC[*:1] CCN(C[*:1])c1ccc(cc1)/C([O-])=N/S(C)(=O)=O
CCOC(=O)/C=C/c1ccc(NCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 CCOC(=O)C=C[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CNc1ccc(cc1)[*:1]
CCOC(=O)/C=C/c1ccc(NCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 CCOC(=O)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CNc1ccc(C=C[*:1])cc1
C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O C[C@@H](O)[*:1] O=C[C@H](O)[C@@H](O)[C@@H](O)[*:1]
CCCc1cc(NC(=O)/C=C/c2ccc(F)cc2)n(C)n1 Fc1ccc(cc1)[*:1] CCCc1cc(NC(=O)C=C[*:1])n(C)n1
CCCc1cc(NC(=O)/C=C/c2ccc(F)cc2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)/C=C/c1ccc(F)cc1)[*:1]
Cc1nn(CCC(=O)NCC2CCC2)c2ccccc12 C1CC(C1)C[*:1] Cc1nn(CCC(=O)N[*:1])c2ccccc12
Cc1nn(CCC(=O)NCC2CCC2)c2ccccc12 C1CC(C1)[*:1] Cc1nn(CCC(=O)NC[*:1])c2ccccc12
COc1ccccc1Nc1c(-c2ccc(SC)cc2)nc2cnccn12 COc1ccccc1[*:1] CSc1ccc(cc1)-c1nc2cnccn2c1N[*:1]
COc1ccccc1Nc1c(-c2ccc(SC)cc2)nc2cnccn12 CSc1ccc(cc1)[*:1] COc1ccccc1Nc1c(nc2cnccn12)[*:1]
O=C1CCCC2=C1[C@H](c1ccc(C(F)(F)F)cc1)n1ncnc1N2 FC(F)(F)[*:1] O=C1CCCC2Nc3ncnn3[C@H](C=21)c1ccc(cc1)[*:1]
SCCCCOC[C@@H]1CCCCO1 SCC[*:1] C1CC[C@@H](COCC[*:1])OC1
SCCCCOC[C@@H]1CCCCO1 SCCC[*:1] C1CC[C@@H](COC[*:1])OC1
COCc1ccc(CNC(=O)NC(C)(C)c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] COCc1ccc(cc1)CNC(=O)NC(C)(C)[*:1]
COCc1ccc(CNC(=O)NC(C)(C)c2cccc(C)c2)cc1 COC[*:1] Cc1cccc(c1)C(C)(C)NC(=O)NCc1ccc(cc1)[*:1]
O=C1CC[C@@H](C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CN1 FC(F)(F)[*:1] O=C1CC[C@H](CN1)C(=O)N1CCC(CC1)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2nc(SC)n3ccccc23)c1 CCC(=O)N[*:1] CSc1nc(C(=O)Nc2cc(ccc2Cl)[*:1])c2ccccn12
CC(C)c1ccc(/C=C/C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 CC(C)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1ccc(cc1)C[NH+]1CCOCC1
CC(C)c1ccc(/C=C/C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)C[NH+]1CCOCC1
CCOc1ccc(CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)CC(=O)N[C@H]1C[C@H](C)N(C1)[*:1]
CCOc1ccc(CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)cc1 CCO[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)Cc1ccc(cc1)[*:1]
C[C@H](OC(=O)Cc1noc2ccccc12)c1ccccc1N(C)C CN(C)[*:1] C[C@H](OC(=O)Cc1noc2ccccc12)c1ccccc1[*:1]
C[C@H]1CC[C@@]([NH3+])(Cc2nccs2)[C@H](C)C1 c1csc(n1)[*:1] C[C@H]1CC[C@@]([NH3+])(C[*:1])[C@H](C)C1
O[C@@H](COCc1cccs1)Cn1nnc(-c2ccccc2)n1 c1csc(c1)C[*:1] O[C@@H](CO[*:1])Cn1nnc(n1)-c1ccccc1
O[C@@H](COCc1cccs1)Cn1nnc(-c2ccccc2)n1 c1csc(c1)[*:1] O[C@@H](COC[*:1])Cn1nnc(n1)-c1ccccc1
O[C@@H](COCc1cccs1)Cn1nnc(-c2ccccc2)n1 c1csc(c1)CO[*:1] O[C@H](Cn1nnc(n1)-c1ccccc1)C[*:1]
O[C@@H](COCc1cccs1)Cn1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O[C@@H](COCc1cccs1)Cn1nnc(n1)[*:1]
C#CCCCCCCC[NH+](C)C C#CC[*:1] C[NH+](C)CCCCCC[*:1]
C#CCCCCCCC[NH+](C)C C#CCC[*:1] C[NH+](C)CCCCC[*:1]
CC(C)[NH+]1CCC(O)(c2cccc(F)c2)CC1 CC(C)[*:1] OC1(CC[NH+](CC1)[*:1])c1cccc(F)c1
CN1C(=O)C[C@@H](NC(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1 c1cc(ccn1)[*:1] CN1C(=O)C[C@@H](NC(=O)[*:1])[C@@H]1c1ccc(F)cc1
CN1C(=O)C[C@@H](NC(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)c2ccncc2)[C@H]1[*:1]
CC1=NC2=NC(NCc3ccccc3)=[NH+][C@H](c3cccnc3)N2C([O-])=C1 c1ccc(cc1)C[*:1] CC1C=C([O-])N2C(N=1)=NC(N[*:1])=[NH+][C@@H]2c1cccnc1
CC1=NC2=NC(NCc3ccccc3)=[NH+][C@H](c3cccnc3)N2C([O-])=C1 c1cncc(c1)[*:1] CC1C=C([O-])N2C(N=1)=NC(NCc1ccccc1)=[NH+][C@H]2[*:1]
CC1=NC2=NC(NCc3ccccc3)=[NH+][C@H](c3cccnc3)N2C([O-])=C1 c1ccc(cc1)[*:1] CC1C=C([O-])N2C(N=1)=NC(NC[*:1])=[NH+][C@@H]2c1cccnc1
C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCCN1S(=O)(=O)[*:1]
CCn1nc(C)c(CN/C(NCc2ccsc2)=[NH+]\C)c1C c1cc(cs1)[*:1] CCn1nc(C)c(CN/C(NC[*:1])=[NH+]\C)c1C
CCn1nc(C)c(CN/C(NCc2ccsc2)=[NH+]\C)c1C c1cc(cs1)C[*:1] CCn1nc(C)c(CN/C(N[*:1])=[NH+]\C)c1C
C=CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccc(OC)cc1 C=CC[*:1] COc1ccc(cc1)-c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1[*:1]
C=CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccc(OC)cc1 COc1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)N1CC(=O)Nc2ccccc21
Cc1cccc(C(=O)NCCC(=O)N2CCN(c3cccc(C)c3C)CC2)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)CCNC(=O)[*:1]
Cc1cccc(C(=O)NCCC(=O)N2CCN(c3cccc(C)c3C)CC2)c1 Cc1cccc(c1C)[*:1] Cc1cccc(c1)C(=O)NCCC(=O)N1CCN(CC1)[*:1]
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 O=[N+]([O-])[*:1] CCc1ccc(cc1S(=O)(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C)[*:1]
C[C@H](CC(=O)NNC(=O)NC[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](CC(=O)NNC(=O)NC[C@@H]1CCCO1)c1ccc(cc1)[*:1]
C[C@H](CC(=O)NNC(=O)NC[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 C1CO[C@@H](C1)C[*:1] C[C@H](CC(=O)NNC(=O)N[*:1])c1ccc(cc1)C(F)(F)F
C[C@H](CC(=O)NNC(=O)NC[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 C1CO[C@@H](C1)[*:1] C[C@H](CC(=O)NNC(=O)NC[*:1])c1ccc(cc1)C(F)(F)F
Nc1c(Cl)cc(NC(=O)CNC(=O)Cc2ccccc2)cc1Cl c1ccc(cc1)C[*:1] Nc1c(Cl)cc(cc1Cl)NC(=O)CNC(=O)[*:1]
Nc1c(Cl)cc(NC(=O)CNC(=O)Cc2ccccc2)cc1Cl c1ccc(cc1)[*:1] Nc1c(Cl)cc(cc1Cl)NC(=O)CNC(=O)C[*:1]
CC(C)[NH+]1CCC(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 CC(C)[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)C1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCC(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 C1CC1[*:1] CC(C)[NH+]1CCC(CC1)C(=O)Nc1ccc2nc(oc2c1)[*:1]
CCCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c(OC)c(OC)c1 CCC[*:1] COc1cc(cc(OC)c1OC)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
OCCc1cscc1Br OCC[*:1] Brc1cscc1[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H]1CCN(c2ccccc2)C1=O CC(C)[*:1] Cc1ccc(cc1NC(=O)N[C@H]1CCN(C1=O)c1ccccc1)NC(=O)[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H]1CCN(c2ccccc2)C1=O CC(C)C(=O)N[*:1] Cc1ccc(cc1NC(=O)N[C@H]1CCN(C1=O)c1ccccc1)[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N[C@H]1CCN(C1=O)[*:1])NC(=O)C(C)C
CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc(Br)cc1 NC(=O)[*:1] CN(c1ccccc1[*:1])S(=O)(=O)c1ccc(Br)cc1
CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CN(c1ccccc1C(N)=O)S(=O)(=O)[*:1]
COc1cc([C@H](C)[NH2+][C@@H](C)c2cnc(C)s2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1
COc1cc([C@H](C)[NH2+][C@@H](C)c2cnc(C)s2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1
COc1cc([C@H](C)[NH2+][C@@H](C)c2cnc(C)s2)ccc1OC(C)C Cc1ncc(s1)[*:1] COc1cc(ccc1OC(C)C)[C@H](C)[NH2+][C@@H](C)[*:1]
COc1cc(C[NH+]2CCCN(Cc3cscn3)CC2)cc(Cl)c1OC c1nc(cs1)[*:1] COc1cc(cc(Cl)c1OC)C[NH+]1CCCN(CC1)C[*:1]
COc1cc(C[NH+]2CCCN(Cc3cscn3)CC2)cc(Cl)c1OC c1nc(cs1)C[*:1] COc1cc(cc(Cl)c1OC)C[NH+]1CCCN(CC1)[*:1]
O=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccc(Cl)cc12)N[*:1]
CC[C@@H](OC)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 c1cc(ccn1)[*:1] CC[C@@H](OC)C(=O)N1CCc2c(C1)nc(nc2N(C)C)[*:1]
CC[C@@H](OC)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 CN(C)[*:1] CC[C@@H](OC)C(=O)N1CCc2c(C1)nc(nc2[*:1])-c1ccncc1
CCC1CCC(NC(=O)NCCOc2ccc3c(c2)CCC(=O)N3)CC1 CCC1CCC(CC1)[*:1] O=C1CCc2cc(ccc2N1)OCCNC(=O)N[*:1]
CC(C)[C@H](C)NC(=O)CSc1nnc(C2CC2)n1C1CC1 CC(C)[*:1] C[C@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)[*:1]
CC(C)[C@H](C)NC(=O)CSc1nnc(C2CC2)n1C1CC1 CC(C)[C@H](C)[*:1] O=C(CSc1nnc(C2CC2)n1C1CC1)N[*:1]
CC(C)[C@H](C)NC(=O)CSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] CC(C)[C@H](C)NC(=O)CSc1nnc(n1C1CC1)[*:1]
CC(C)[C@H](C)NC(=O)CSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] CC(C)[C@H](C)NC(=O)CSc1nnc(C2CC2)n1[*:1]
C#CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 C#CC[*:1] Cc1cc(ccc1F)S(=O)(=O)Nc1ccc(cc1)C(=O)N[*:1]
C#CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 C#CCNC(=O)[*:1] Cc1cc(ccc1F)S(=O)(=O)Nc1ccc(cc1)[*:1]
C#CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 Cc1cc(ccc1F)[*:1] C#CCNC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
C[C@H](CS(C)(=O)=O)N(C)Cc1ccn(Cc2ccccc2)c1 CS(=O)(=O)C[*:1] C[C@H](N(C)Cc1ccn(c1)Cc1ccccc1)[*:1]
C[C@H](CS(C)(=O)=O)N(C)Cc1ccn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] C[C@H](CS(C)(=O)=O)N(C)Cc1ccn(c1)[*:1]
C[C@H](CS(C)(=O)=O)N(C)Cc1ccn(Cc2ccccc2)c1 CS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)Cc1ccn(c1)Cc1ccccc1
C[C@H](CS(C)(=O)=O)N(C)Cc1ccn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H](CS(C)(=O)=O)N(C)Cc1ccn(c1)C[*:1]
NC(=O)[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)c1ccccc1 NC(=O)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1cnc(s1)-c1ccccc1
NC(=O)[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)c1cnc(s1)[*:1])c1ccccc1
NC(=O)[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)c1cnc(s1)-c1ccccc1)[*:1]
C[C@@](O)(CNC(=O)c1ccc(Br)o1)CSc1ccccc1 c1ccc(cc1)S[*:1] C[C@@](O)(CNC(=O)c1ccc(Br)o1)C[*:1]
C[C@@](O)(CNC(=O)c1ccc(Br)o1)CSc1ccccc1 Brc1ccc(o1)[*:1] C[C@@](O)(CNC(=O)[*:1])CSc1ccccc1
C[C@@](O)(CNC(=O)c1ccc(Br)o1)CSc1ccccc1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)c1ccc(Br)o1)CS[*:1]
Cc1csc(NC(=O)Cn2cnnn2)n1 c1nnnn1[*:1] Cc1csc(n1)NC(=O)C[*:1]
Cc1cc(C(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)COC(=O)[*:1]
COc1cc[nH]/c(=N\S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 FC(F)(F)[*:1] COc1cc[nH]/c(c1)=N\S(=O)(=O)c1ccc(F)cc1[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H](C)c1noc(C[*:1])n1
C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 c1cc(co1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1
C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 O=C(N[*:1])c1ccoc1 C[C@@H](NC(=O)[C@H](C)[*:1])c1noc(Cc2ccccc2)n1
C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H](C)c1noc(n1)[*:1]
COCCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)cc1OC COCC[*:1] COc1ccc(c(c1)OC)[C@@H]1Nc2ccccc2C(=O)N1C[*:1]
COCCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)cc1OC COCCC[*:1] COc1ccc(c(c1)OC)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
COCCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)cc1OC COC[*:1] COc1ccc(c(c1)OC)[C@@H]1Nc2ccccc2C(=O)N1CC[*:1]
O=S(=O)(/N=C(\[O-])CCc1nc(-c2ccco2)no1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(/N=C(\[O-])CCc1nc(no1)-c1ccco1)[*:1]
O=S(=O)(/N=C(\[O-])CCc1nc(-c2ccco2)no1)c1cccs1 c1coc(c1)[*:1] O=S(=O)(/N=C(\[O-])CCc1nc(no1)[*:1])c1cccs1
COc1ccc(C2=NN(C)C(=[NH2+])/C2=N/Nc2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] CN1N=C(/C(=N\Nc2ccc(F)cc2)C1=[NH2+])[*:1]
COc1ccc(C2=NN(C)C(=[NH2+])/C2=N/Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C1=NN(C)C(=[NH2+])/C1=N/N[*:1]
Cc1ccc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc1 C1CC1[*:1] Cc1ccc(cc1)C(=O)N([C@@H]1CCCc2ccccc21)[*:1]
Cc1ccc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(N(C1CC1)[C@@H]1CCCc2ccccc21)[*:1]
O[C@H](CNCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](CNCc1ccc(o1)-c1ccc(Br)cc1)[*:1]
O[C@H](CNCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 Brc1ccc(cc1)[*:1] O[C@H](CNCc1ccc(o1)[*:1])c1ccccc1
CC1=[NH+]C(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1C[C@@H]1CCCO1 FC(F)(F)[*:1] CC1=[NH+]C(C2C(=O)CC(C)(C)CC=2N1C[C@@H]1CCCO1)(C(F)(F)F)[*:1]
CC1=[NH+]C(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC1=[NH+]C(C2C(=O)CC(C)(C)CC=2N1C[*:1])(C(F)(F)F)C(F)(F)F
CC1=[NH+]C(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC1=[NH+]C(C2C(=O)CC(C)(C)CC=2N1[*:1])(C(F)(F)F)C(F)(F)F
O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N1CCC2(CC1)OCCO2 Fc1ccc(cc1F)[*:1] O=C(NC[C@@H]1CCN(C1)[*:1])N1CCC2(CC1)OCCO2
COc1ccc(C(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 COc1ccc(cc1)[*:1] CC1(CCN(CC1)C(=O)[*:1])C(=O)NCc1ccc2OCOc2c1
COc1ccc(C(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 c1cc2OCOc2cc1C[*:1] COc1ccc(cc1)C(=O)N1CCC(C)(CC1)C(=O)N[*:1]
COc1ccc(C(=O)N2CCC(C)(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)C(=O)N1CCC(C)(CC1)C(=O)NC[*:1]
O=c1[nH]c(=O)n(CCc2ccccc2)c2nccc(-c3ccco3)c12 c1ccc(cc1)CC[*:1] O=c1[nH]c(=O)n(c2nccc(-c3ccco3)c12)[*:1]
O=c1[nH]c(=O)n(CCc2ccccc2)c2nccc(-c3ccco3)c12 c1coc(c1)[*:1] O=c1[nH]c(=O)n(CCc2ccccc2)c2nccc(c12)[*:1]
O=c1[nH]c(=O)n(CCc2ccccc2)c2nccc(-c3ccco3)c12 c1ccc(cc1)C[*:1] O=c1[nH]c(=O)n(C[*:1])c2nccc(-c3ccco3)c12
O=c1[nH]c(=O)n(CCc2ccccc2)c2nccc(-c3ccco3)c12 c1ccc(cc1)[*:1] O=c1[nH]c(=O)n(CC[*:1])c2nccc(-c3ccco3)c12
Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@H](c1ccccc1F)CC(=O)N2 c1ccc(cc1)[*:1] Cc1nn(-c2nncc(n2)[*:1])c2NC(=O)C[C@@H](c3ccccc3F)c12
Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@H](c1ccccc1F)CC(=O)N2 Fc1ccccc1[*:1] Cc1nn(-c2nncc(n2)-c2ccccc2)c2NC(=O)C[C@@H](c12)[*:1]
Cc1cccc(C2=CCN(C(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)CC2)c1 Cc1cccc(c1)[*:1] C[C@]12CCC(=O)N1[C@@H](CS2)C(=O)N1CC=C(CC1)[*:1]
Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 [NH3+]CC[*:1] Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H](C1)[*:1]
Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1cccc2ccccc12
CC(C)c1ccc(Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)cc1 NC(=O)[*:1] CC(C)c1ccc(cc1)Cn1cc(cc(c1=O)[*:1])[N+](=O)[O-]
CC(C)c1ccc(Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)cc1 O=[N+]([O-])[*:1] CC(C)c1ccc(cc1)Cn1cc(cc(C(N)=O)c1=O)[*:1]
CC(C)c1ccc(Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)cc1 CC(C)[*:1] NC(=O)c1cc(cn(Cc2ccc(cc2)[*:1])c1=O)[N+](=O)[O-]
CNC(=O)[C@H]1CCCN(C(=O)C/C=C/c2ccc(C)cc2)C1 CNC(=O)[*:1] Cc1ccc(/C=C/CC(=O)N2CCC[C@@H](C2)[*:1])cc1
CNC(=O)[C@H]1CCCN(C(=O)C/C=C/c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] CNC(=O)[C@H]1CCCN(C1)C(=O)CC=C[*:1]
O=C(Cn1c(-c2ccccc2)noc1=O)N[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(Cn1c(noc1=O)[*:1])N[C@H]1CCS(=O)(=O)C1
C[C@](O)(CNC(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)Nc1ccccc1S(C)(=O)=O)[*:1]
C[C@](O)(CNC(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(F)cc1 CS(=O)(=O)[*:1] C[C@](O)(CNC(=O)Nc1ccccc1[*:1])c1ccc(F)cc1
C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ccc(cc1NC(=O)[*:1])S(C)(=O)=O
C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1 CS(=O)(=O)[*:1] C[NH+]1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(cc1)C(F)(F)F)[*:1]
C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] C[NH+]1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(cc1)[*:1])S(C)(=O)=O
Cc1oc(C)c(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)c1C C1CC1[*:1] Cc1oc(C)c(C(=O)OC[C@H]2CC(=O)N(C2)[*:1])c1C
CN(C)C(=O)c1ccc(NCCNC(=O)c2ccc(Cl)cc2)nc1 CN(C)C(=O)[*:1] O=C(NCCNc1ccc(cn1)[*:1])c1ccc(Cl)cc1
CN(C)C(=O)c1ccc(NCCNC(=O)c2ccc(Cl)cc2)nc1 Clc1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(nc1)NCCNC(=O)[*:1]
C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1(C)CC1 CC1(CC1)[*:1] C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12 Fc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(nnc12)SCC(=O)N[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12 O=C(C[*:1])Nc1ccc(F)cc1 C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(nnc12)S[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12 O=C(Nc1ccc(F)cc1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(nnc12)SC[*:1]
C[C@@H](NS(=O)(=O)c1ccccc1Cn1cncn1)c1ccc(Cl)cc1Cl c1ncn(n1)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1C[*:1])c1ccc(Cl)cc1Cl
C[C@@H](NS(=O)(=O)c1ccccc1Cn1cncn1)c1ccc(Cl)cc1Cl c1ncn(C[*:1])n1 C[C@@H](NS(=O)(=O)c1ccccc1[*:1])c1ccc(Cl)cc1Cl
C[C@@H](NS(=O)(=O)c1ccccc1Cn1cncn1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1Cn1cncn1)[*:1]
CC/[NH+]=C(/NCc1cn2c([nH+]1)CCCC2)N[C@@H](C)CC CC[C@H](C)[*:1] CC/[NH+]=C(/NCc1cn2CCCCc2[nH+]1)N[*:1]
COC(=O)[C@@H]1C(=O)[C@@]2(Cc3c(ccc4ccccc34)N(Cc3ccc(OC)cc3)C2)C(=O)CC1(C)C COc1ccc(cc1)C[*:1] COC(=O)[C@@H]1C(=O)[C@@]2(Cc3c(ccc4ccccc34)N(C2)[*:1])C(=O)CC1(C)C
COC(=O)[C@@H]1C(=O)[C@@]2(Cc3c(ccc4ccccc34)N(Cc3ccc(OC)cc3)C2)C(=O)CC1(C)C COC(=O)[*:1] COc1ccc(cc1)CN1C[C@]2(Cc3c1ccc1ccccc31)C(=O)CC(C)(C)[C@@H](C2=O)[*:1]
COC(=O)[C@@H]1C(=O)[C@@]2(Cc3c(ccc4ccccc34)N(Cc3ccc(OC)cc3)C2)C(=O)CC1(C)C COc1ccc(cc1)[*:1] COC(=O)[C@@H]1C(=O)[C@@]2(Cc3c(ccc4ccccc34)N(C2)C[*:1])C(=O)CC1(C)C
Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccccc2Cl)n(C)n1 Clc1ccccc1[*:1] Cc1cc(NC(=O)C(=O)N[C@H](C)[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccccc2Cl)n(C)n1 Cc1cc(n(C)n1)[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1ccccc1Cl
CC(C)OCCCNC(=O)c1cnc2nc([O-])[nH]c(=O)c2c1 CC(C)OCCC[*:1] O=C(N[*:1])c1cnc2nc([O-])[nH]c(=O)c2c1
CC(C)OCCCNC(=O)c1cnc2nc([O-])[nH]c(=O)c2c1 CC(C)OCC[*:1] O=C(NC[*:1])c1cnc2nc([O-])[nH]c(=O)c2c1
CC(C)OCCCNC(=O)c1cnc2nc([O-])[nH]c(=O)c2c1 CC(C)O[*:1] O=C(NCCC[*:1])c1cnc2nc([O-])[nH]c(=O)c2c1
CC(C)OCCCNC(=O)c1cnc2nc([O-])[nH]c(=O)c2c1 CC(C)[*:1] O=C(NCCCO[*:1])c1cnc2nc([O-])[nH]c(=O)c2c1
CC(C)OCCCNC(=O)c1cnc2nc([O-])[nH]c(=O)c2c1 CC(C)OC[*:1] O=C(NCC[*:1])c1cnc2nc([O-])[nH]c(=O)c2c1
CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)Oc1ccc(F)cc1 CCC[*:1] C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)[*:1])Oc1ccc(F)cc1
CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)O[*:1]
CCCn1nc(NC(=O)c2ccccc2)c2cc3ccc(C)cc3nc21 CCC[*:1] Cc1ccc2cc3c(nn(c3nc2c1)[*:1])NC(=O)c1ccccc1
CCCn1nc(NC(=O)c2ccccc2)c2cc3ccc(C)cc3nc21 c1ccc(cc1)[*:1] CCCn1nc(NC(=O)[*:1])c2cc3ccc(C)cc3nc21
CCc1nn(C)cc1NC(=O)c1cc(-c2ccccn2)ccc1Cl c1ccc(nc1)[*:1] CCc1nn(C)cc1NC(=O)c1cc(ccc1Cl)[*:1]
CCc1nn(C)cc1NC(=O)c1cc(-c2ccccn2)ccc1Cl CCc1nn(C)cc1[*:1] O=C(N[*:1])c1cc(ccc1Cl)-c1ccccn1
CCCCO[C@H](C)C(=O)Nc1cccnc1Cl CCCCO[*:1] C[C@H](C(=O)Nc1cccnc1Cl)[*:1]
CCCCO[C@H](C)C(=O)Nc1cccnc1Cl CCC[*:1] C[C@@H](OC[*:1])C(=O)Nc1cccnc1Cl
CCCCO[C@H](C)C(=O)Nc1cccnc1Cl CCCC[*:1] C[C@@H](O[*:1])C(=O)Nc1cccnc1Cl
CON(C)c1nc(N(C)C)nc(N(C)C)n1 CON(C)[*:1] CN(C)c1nc(nc(n1)[*:1])N(C)C
CON(C)c1nc(N(C)C)nc(N(C)C)n1 CN(C)[*:1] CON(C)c1nc(nc(n1)[*:1])N(C)C
C[NH+](C)[C@@H]1CC[C@H](NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)CCc1nc(no1)[*:1]
COc1ccc2c(c1)[C@@H](C(=O)[O-])C[NH2+]C2 O=C([O-])[*:1] COc1ccc2C[NH2+]C[C@H](c2c1)[*:1]
CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2[O-])cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)NC(=O)c1ccc(nc1[O-])[*:1]
CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2[O-])cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(nc1[O-])C(F)(F)F
COc1cc(OC)c(NC(=O)/C=C/c2c(C)nn(C)c2C)cc1Cl Cc1nn(C)c(C)c1[*:1] COc1cc(OC)c(cc1Cl)NC(=O)C=C[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 Fc1ccc(cc1)CO[*:1] Cc1ccc(cc1)S(=O)(=O)N/N=C/c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N/N=C/c1ccc(cc1)OCc1ccc(F)cc1)[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N/N=C/c1ccc(cc1)O[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N/N=C/c1ccc(cc1)OC[*:1]
CC[C@H](C(=O)N1CCC[C@H]1C[C@@H](C)O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCC[C@H]1C[C@@H](C)O)[*:1]
CC[C@H](C(=O)N1CCC[C@H]1C[C@@H](C)O)c1ccccc1 C[C@@H](O)C[*:1] CC[C@H](C(=O)N1CCC[C@@H]1[*:1])c1ccccc1
CC[C@H](C(=O)N1CCC[C@H]1C[C@@H](C)O)c1ccccc1 C[C@@H](O)[*:1] CC[C@H](C(=O)N1CCC[C@H]1C[*:1])c1ccccc1
C[C@@H](CS(=O)(=O)c1cccc2cccnc12)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CS(=O)(=O)c1cccc2cccnc12)[*:1]
CCOc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1Br NS(=O)(=O)[*:1] CCOc1ccc(cc1Br)C(=O)Nc1cccc(c1)[*:1]
CCOc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1Br CCO[*:1] NS(=O)(=O)c1cccc(c1)NC(=O)c1ccc(c(Br)c1)[*:1]
Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 Cc1ccc(cc1)[*:1] Cc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3OCCCOc3c2)n1[*:1]
Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 c1cc2OCCCOc2cc1[*:1] Cc1ccc(cc1)-n1c(C)nnc1SCC(=O)N1CCC[C@H]1[*:1]
NC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] NC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1[*:1]
NC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl NC(=O)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])[C@@H]1C[C@@H]1c1ccccc1Cl
C[C@H](NC(=O)N1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](NC(=O)N1CCC(C#N)CC1)c1cccc(c1)[*:1]
Cc1nnc(-c2ccc(NC(=O)NC3CCCCCC3)cc2)o1 C1CCCC(CC1)[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)N[*:1]
Cc1nnc(-c2ccc(NC(=O)NC3CCCCCC3)cc2)o1 Cc1nnc(o1)[*:1] O=C(Nc1ccc(cc1)[*:1])NC1CCCCCC1
Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)Nc1ccc(C)c(Cl)c1)n2C Cc1ccc(cc1Cl)[*:1] Cc1ccc2c(c1)c(c(C(=O)N[*:1])n2C)N1CCCC1=O
Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)Nc1ccc(C)c(Cl)c1)n2C O=C1CCCN1[*:1] Cc1ccc2c(c1)c(c(C(=O)Nc1ccc(C)c(Cl)c1)n2C)[*:1]
CC(=O)NCCc1ccc(OCC(=O)[O-])cc1 CC(=O)NC[*:1] O=C([O-])COc1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc(OCC(=O)[O-])cc1 O=C([O-])CO[*:1] CC(=O)NCCc1ccc(cc1)[*:1]
CC(=O)NCCc1ccc(OCC(=O)[O-])cc1 CC(=O)N[*:1] O=C([O-])COc1ccc(cc1)CC[*:1]
CC(=O)NCCc1ccc(OCC(=O)[O-])cc1 O=C([O-])C[*:1] CC(=O)NCCc1ccc(cc1)O[*:1]
CC(=O)NCCc1ccc(OCC(=O)[O-])cc1 O=C([O-])[*:1] CC(=O)NCCc1ccc(cc1)OC[*:1]
CNC(=O)[C@H]1CCCN1C(=O)CN1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] CNC(=O)[C@H]1CCCN1C(=O)CN1CCN(C1=O)[*:1]
CNC(=O)[C@H]1CCCN1C(=O)CN1CCN(c2ccccc2F)C1=O CNC(=O)[*:1] O=C1N(CCN1c1ccccc1F)CC(=O)N1CCC[C@@H]1[*:1]
COC(=O)C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)C1CC1 Fc1ccc(cc1)[*:1] COC(=O)C[C@@H](NC(=O)c1cnn(n1)[*:1])C1CC1
COC(=O)C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)C1CC1 COC(=O)[*:1] O=C(N[C@H](C[*:1])C1CC1)c1cnn(n1)-c1ccc(F)cc1
COC(=O)C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)C1CC1 COC(=O)C[*:1] O=C(N[C@@H](C1CC1)[*:1])c1cnn(n1)-c1ccc(F)cc1
COC(=O)C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)c1cnn(n1)-c1ccc(F)cc1)[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)N1CC[C@H](OCCC(C)C)C1 CC(C)C[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N1CC[C@@H](C1)OC[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)N1CC[C@H](OCCC(C)C)C1 CC(C)[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N1CC[C@@H](C1)OCC[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)N1CC[C@H](OCCC(C)C)C1 CC(C)CC[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N1CC[C@@H](C1)O[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)N1CC[C@H](OCCC(C)C)C1 CC(C)CCO[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N1CC[C@H](C1)[*:1]
CCc1nnc(SCC(=O)Nc2ccc(I)cc2)n1-c1ccccc1 Ic1ccc(cc1)[*:1] CCc1nnc(SCC(=O)N[*:1])n1-c1ccccc1
CCc1nnc(SCC(=O)Nc2ccc(I)cc2)n1-c1ccccc1 c1ccc(cc1)[*:1] CCc1nnc(SCC(=O)Nc2ccc(I)cc2)n1[*:1]
CCO[C@@H](C)c1noc(CNc2ccc(F)cc2[N+](=O)[O-])n1 CCO[C@@H](C)[*:1] O=[N+]([O-])c1cc(F)ccc1NCc1nc(no1)[*:1]
CCO[C@@H](C)c1noc(CNc2ccc(F)cc2[N+](=O)[O-])n1 CCO[*:1] C[C@@H](c1noc(CNc2ccc(F)cc2[N+](=O)[O-])n1)[*:1]
CCO[C@@H](C)c1noc(CNc2ccc(F)cc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] CCO[C@@H](C)c1noc(CNc2ccc(F)cc2[*:1])n1
COc1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccccc1NC(=S)NC(=O)c1cccc(c1)[*:1]
C#CCNCC(=O)N[C@@H](C)c1cnn(C)c1C C#CCNC[*:1] Cc1c(cnn1C)[C@H](C)NC(=O)[*:1]
C#CCNCC(=O)N[C@@H](C)c1cnn(C)c1C C#CC[*:1] Cc1c(cnn1C)[C@H](C)NC(=O)CN[*:1]
C#CCNCC(=O)N[C@@H](C)c1cnn(C)c1C C#CCN[*:1] Cc1c(cnn1C)[C@H](C)NC(=O)C[*:1]
CC1=NC=C/C(=N\C(=O)c2ccc(N3CCCC3=O)cc2)C1 O=C1CCCN1[*:1] CC1C/C(C=CN=1)=N/C(=O)c1ccc(cc1)[*:1]
Cc1ccc2nc(SCC(=O)c3ccccc3)c(C#N)cc2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(SCC(=O)[*:1])c(C#N)cc2c1
COc1nc2ccccc2nc1C(=O)Nc1ccc(C(C)C)cc1 CC(C)[*:1] COc1nc2ccccc2nc1C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@H](C(=O)OC)c2ccccc2)c1=O CNC(=O)[*:1] COC(=O)[C@@H](NC(=O)c1cn(cc(c1=O)[*:1])C1CCCCC1)c1ccccc1
CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@H](C(=O)OC)c2ccccc2)c1=O COC(=O)[*:1] CNC(=O)c1cn(cc(C(=O)N[C@H](c2ccccc2)[*:1])c1=O)C1CCCCC1
CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@H](C(=O)OC)c2ccccc2)c1=O c1ccc(cc1)[*:1] CNC(=O)c1cn(cc(C(=O)N[C@H](C(=O)OC)[*:1])c1=O)C1CCCCC1
CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@H](C(=O)OC)c2ccccc2)c1=O C1CCC(CC1)[*:1] CNC(=O)c1cn(cc(C(=O)N[C@H](C(=O)OC)c2ccccc2)c1=O)[*:1]
CC[NH+]1CCN(CCCNC(=O)[C@H](C)NC(C)=O)CC1 CC(=O)N[*:1] CC[NH+]1CCN(CCCNC(=O)[C@H](C)[*:1])CC1
CC[NH+]1CCN(CCCNC(=O)[C@H](C)NC(C)=O)CC1 CC(=O)N[C@@H](C)[*:1] CC[NH+]1CCN(CCCNC(=O)[*:1])CC1
CCN[C@@H]1c2cc(OC)ccc2C[C@H]1[NH+]1CCCCC1 CCN[*:1] COc1ccc2C[C@H]([C@@H](c2c1)[*:1])[NH+]1CCCCC1
C[C@H]1CCC[C@@](CNC(=O)C[C@H](O)c2ccccc2)([NH+](C)C)C1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@](CNC(=O)C[C@H](O)[*:1])(C1)[NH+](C)C
Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(cn23)[*:1])n(C)c1=O
Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1C[*:1]
Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1[*:1]
C[C@@H]1CCCN(C(=O)CSCC(F)(F)F)C1 FC(F)(F)C[*:1] C[C@@H]1CCCN(C1)C(=O)CS[*:1]
C[C@@H]1CCCN(C(=O)CSCC(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H]1CCCN(C1)C(=O)CSC[*:1]
CC(C)n1c(CCCCC[NH3+])nc2ccccc21 [NH3+]CCCCC[*:1] CC(C)n1c(nc2ccccc21)[*:1]
CC(C)n1c(CCCCC[NH3+])nc2ccccc21 [NH3+]CCCC[*:1] CC(C)n1c(C[*:1])nc2ccccc21
CC(C)n1c(CCCCC[NH3+])nc2ccccc21 CC(C)[*:1] [NH3+]CCCCCc1nc2ccccc2n1[*:1]
CC(C)n1c(CCCCC[NH3+])nc2ccccc21 [NH3+]CCC[*:1] CC(C)n1c(CC[*:1])nc2ccccc21
CC(C)n1c(CCCCC[NH3+])nc2ccccc21 [NH3+]CC[*:1] CC(C)n1c(CCC[*:1])nc2ccccc21
CCC[C@@H]1C[C@@]1(O)CCC(C)C CC(C)[*:1] CCC[C@@H]1C[C@@]1(O)CC[*:1]
CCC[C@@H]1C[C@@]1(O)CCC(C)C CC(C)C[*:1] CCC[C@@H]1C[C@@]1(O)C[*:1]
CCC[C@@H]1C[C@@]1(O)CCC(C)C CCC[*:1] CC(C)CC[C@]1(O)C[C@H]1[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cnc(Cl)c(Cl)c2)c1 Clc1cc(cnc1Cl)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H](C)OC(=O)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cnc(Cl)c(Cl)c2)c1 CC(=O)[*:1] C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)Nc1cccc(c1)[*:1]
C[NH2+][C@@H](c1ccccc1F)[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] C[NH2+][C@@H](c1ccccc1F)[C@@H](C)[*:1]
CCc1c(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cnn1-c1ccccn1 Fc1ccc(cc1)[*:1] CCc1c(cnn1-c1ccccn1)-c1nn2c(nnc2s1)[*:1]
CCc1c(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] CCc1c(cnn1[*:1])-c1nn2c(nnc2s1)-c1ccc(F)cc1
Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CCC[C@@H](C4CC4)C3)CC2)cn1 C1CC1[*:1] Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)[NH2+][C@H]1CCC[C@@H](C1)[*:1]
Cn1cc(S(=O)(=O)N2CCC([NH2+][C@H]3CCC[C@@H](C4CC4)C3)CC2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(N1CCC(CC1)[NH2+][C@H]1CCC[C@H](C1)C1CC1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1 NS(=O)(=O)C[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1 CC(C)(C)[*:1] NS(=O)(=O)C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1 NS(=O)(=O)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C[*:1]
CN(CC1(CO)COC1)c1ccc(C(C)(C)C)cc1 OCC1(COC1)[*:1] CN(C[*:1])c1ccc(cc1)C(C)(C)C
CN(CC1(CO)COC1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CN(CC1(CO)COC1)c1ccc(cc1)[*:1]
CC(C)c1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)Nc1ccccc1C(=O)N1CCOCC1)[*:1]
CC(C)c1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)n(C)n1 O=C(N1CCOCC1)[*:1] CC(C)c1cc(C(=O)Nc2ccccc2[*:1])n(C)n1
CCN(Cc1cccc(C)c1)C(=O)Nc1cc(C(=O)N(C)C)ccc1C Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)Nc1cc(ccc1C)C(=O)N(C)C
CCN(Cc1cccc(C)c1)C(=O)Nc1cc(C(=O)N(C)C)ccc1C CN(C)C(=O)[*:1] CCN(Cc1cccc(C)c1)C(=O)Nc1cc(ccc1C)[*:1]
CCN(Cc1cccc(C)c1)C(=O)Nc1cc(C(=O)N(C)C)ccc1C Cc1cccc(c1)C[*:1] CCN(C(=O)Nc1cc(ccc1C)C(=O)N(C)C)[*:1]
CC[C@@H](C)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC[C@@H](C)C(=O)Nc1ccc(cc1)C(=O)NCC[*:1]
CC[C@@H](C)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 CC[C@@H](C)C(=O)N[*:1] O=C(NCCc1ccccc1)c1ccc(cc1)[*:1]
CC[C@@H](C)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC[C@@H](C)C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CC[C@@H](C)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] CC[C@@H](C)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCC[C@@H](C[NH3+])[C@@](C)(O)CC CCC[*:1] CC[C@](C)(O)[C@H](C[NH3+])[*:1]
Cc1c(C(=O)NNC(=S)Nc2ccc(S(N)(=O)=O)cc2)oc2ccccc12 NS(=O)(=O)[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=S)Nc1ccc(cc1)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(c2ccccc2)CC1 CC(C)[*:1] C[C@@](C#N)(NC(=O)CN1CCN(CC1)c1ccccc1)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(CC1)[*:1]
C[C@H]([NH2+][C@H]1CCCOc2c1ccc1ccccc21)c1nc(C(C)(C)C)no1 CC(C)(C)c1noc(n1)[*:1] C[C@H]([NH2+][C@H]1CCCOc2c1ccc1ccccc21)[*:1]
C[C@H]([NH2+][C@H]1CCCOc2c1ccc1ccccc21)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H]([NH2+][C@H]1CCCOc2c1ccc1ccccc21)c1nc(no1)[*:1]
CCOc1ccccc1C[NH2+][C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 CCO[*:1] O=C1C[C@H](CN1Cc1cccc(F)c1)[NH2+]Cc1ccccc1[*:1]
CCOc1ccccc1C[NH2+][C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 Fc1cccc(c1)C[*:1] CCOc1ccccc1C[NH2+][C@@H]1CC(=O)N(C1)[*:1]
CCOc1ccccc1C[NH2+][C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CCOc1ccccc1C[NH2+][C@@H]1CC(=O)N(C1)C[*:1]
C#CCOc1cccc(NC(=O)N(C)CCC#N)c1 N#CC[*:1] C#CCOc1cccc(c1)NC(=O)N(C)C[*:1]
C#CCOc1cccc(NC(=O)N(C)CCC#N)c1 N#CCC[*:1] C#CCOc1cccc(c1)NC(=O)N(C)[*:1]
C#CCOc1cccc(NC(=O)N(C)CCC#N)c1 C#CC[*:1] CN(CCC#N)C(=O)Nc1cccc(c1)O[*:1]
C#CCOc1cccc(NC(=O)N(C)CCC#N)c1 C#CCO[*:1] CN(CCC#N)C(=O)Nc1cccc(c1)[*:1]
COC(=O)C(C)(C)CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 COC(=O)[*:1] CC(C)(CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)[*:1]
CC[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[NH+](Cc1cccc(c1)[N+](=O)[O-])C[*:1]
CC[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)s1 O=[N+]([O-])[*:1] CC[NH+](Cc1cccc(c1)[*:1])Cc1ccc(Cl)s1
CN(C(=O)c1cccn(Cc2cccc(F)c2)c1=O)c1ccccc1 Fc1cccc(c1)C[*:1] CN(C(=O)c1cccn(c1=O)[*:1])c1ccccc1
CN(C(=O)c1cccn(Cc2cccc(F)c2)c1=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1cccn(Cc2cccc(F)c2)c1=O)[*:1]
CN(C(=O)c1cccn(Cc2cccc(F)c2)c1=O)c1ccccc1 Fc1cccc(c1)[*:1] CN(C(=O)c1cccn(C[*:1])c1=O)c1ccccc1
Cc1cccc(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@]2(C)C(=O)NC2CCCCC2)c1C C1CCC(CC1)[*:1] Cc1cccc(c1C)N1C(=O)CN(C[C@]1(C)C(=O)N[*:1])S(=O)(=O)c1ccccc1
Cc1cccc(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@]2(C)C(=O)NC2CCCCC2)c1C Cc1cccc(c1C)[*:1] C[C@@]1(CN(CC(=O)N1[*:1])S(=O)(=O)c1ccccc1)C(=O)NC1CCCCC1
Cc1cccc(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@]2(C)C(=O)NC2CCCCC2)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1C(=O)CN(C[C@]1(C)C(=O)NC1CCCCC1)S(=O)(=O)[*:1]
Cc1cccc(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@]2(C)C(=O)NC2CCCCC2)c1C O=C(NC1CCCCC1)[*:1] Cc1cccc(c1C)N1C(=O)CN(C[C@@]1(C)[*:1])S(=O)(=O)c1ccccc1
Cc1ccsc1CN(C)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O Cc1ccsc1[*:1] CN(C[*:1])C(=O)c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
Cc1ccsc1CN(C)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O Cc1ccsc1C[*:1] CN(C(=O)c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1)[*:1]
N/C(=N/OCC(=O)NCCc1c(F)cccc1F)C(F)(F)F FC(F)(F)[*:1] N/C(=N/OCC(=O)NCCc1c(F)cccc1F)[*:1]
Cc1c([C@@H](C)NC(=O)c2ccncc2Cl)oc2ccccc12 Clc1cnccc1[*:1] Cc1c(oc2ccccc12)[C@@H](C)NC(=O)[*:1]
COc1ccc(NC(=O)CSc2nnc(/N=C\N(C)C)s2)cc1 CN(C)C=N[*:1] COc1ccc(cc1)NC(=O)CSc1nnc(s1)[*:1]
C=CCS(=O)(=O)N(C)CCN1CC[NH2+]CC1 C=CC[*:1] CN(CCN1CC[NH2+]CC1)S(=O)(=O)[*:1]
C=C(C)COc1ccccc1/C=C1\N=C(c2ccccc2F)OC1=O C=C(C)C[*:1] O=C1OC(=N/C1=C\c1ccccc1O[*:1])c1ccccc1F
C=C(C)COc1ccccc1/C=C1\N=C(c2ccccc2F)OC1=O Fc1ccccc1[*:1] C=C(C)COc1ccccc1/C=C1\N=C(OC1=O)[*:1]
C=C(C)COc1ccccc1/C=C1\N=C(c2ccccc2F)OC1=O C=C(C)CO[*:1] O=C1OC(=N/C1=C\c1ccccc1[*:1])c1ccccc1F
C=C(C)COc1ccccc1/C=C1\N=C(c2ccccc2F)OC1=O C=C(C)[*:1] O=C1OC(=N/C1=C\c1ccccc1OC[*:1])c1ccccc1F
COc1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)cc1 CC(C)(C)O[*:1] COc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
COc1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)C[NH+]1CCC(CC1)O[*:1]
COC(=O)c1cccc(C)c1NC(=O)C[C@H](C)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] COC(=O)c1cccc(C)c1NC(=O)C[C@H](C)NC(=O)[*:1]
COC(=O)c1cccc(C)c1NC(=O)C[C@H](C)NC(=O)C1CCCCC1 COC(=O)[*:1] Cc1cccc(c1NC(=O)C[C@H](C)NC(=O)C1CCCCC1)[*:1]
Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 Cc1cc(C)nc(n1)S[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1C[*:1]
Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 Cc1cc(C)nc(n1)SC[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1[*:1]
Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 O=S(=O)(N1CCOCC1)[*:1] Cc1cc(C)nc(n1)SCc1ccccc1C(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 Cc1cc(C)nc(n1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1CS[*:1]
Cc1oc(-c2ccsc2)nc1C[NH+]1CCN(Cc2cccnc2)CC1 c1cncc(c1)C[*:1] Cc1oc(nc1C[NH+]1CCN(CC1)[*:1])-c1ccsc1
Cc1oc(-c2ccsc2)nc1C[NH+]1CCN(Cc2cccnc2)CC1 c1cc(cs1)[*:1] Cc1oc(nc1C[NH+]1CCN(CC1)Cc1cccnc1)[*:1]
Cc1oc(-c2ccsc2)nc1C[NH+]1CCN(Cc2cccnc2)CC1 c1cncc(c1)[*:1] Cc1oc(nc1C[NH+]1CCN(CC1)C[*:1])-c1ccsc1
C[C@H]1CCCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H]1CCCCN1c1ccc(cc1[*:1])S(N)(=O)=O
C[C@H]1CCCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] NS(=O)(=O)[*:1] C[C@H]1CCCCN1c1ccc(cc1[N+](=O)[O-])[*:1]
O=C(NCCc1cscn1)[C@@H]1COc2ccc(F)cc2C1 c1nc(cs1)[*:1] O=C(NCC[*:1])[C@@H]1COc2ccc(F)cc2C1
O=C(NCCc1cscn1)[C@@H]1COc2ccc(F)cc2C1 c1nc(cs1)CC[*:1] O=C(N[*:1])[C@@H]1COc2ccc(F)cc2C1
O=C(NCCc1cscn1)[C@@H]1COc2ccc(F)cc2C1 c1nc(cs1)C[*:1] O=C(NC[*:1])[C@@H]1COc2ccc(F)cc2C1
CCC[C@H]1C[C@@]1(O)c1ccc(OC)c(Br)c1 CCC[*:1] COc1ccc(cc1Br)[C@]1(O)C[C@@H]1[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)C(=O)NCCC[NH+]1CCCCC1)[*:1]
FC(F)(F)c1cccc(Nc2nc(Cl)nc(N3CCOCC3)n2)c1 C1CN(CCO1)[*:1] FC(F)(F)c1cccc(c1)Nc1nc(Cl)nc(n1)[*:1]
FC(F)(F)c1cccc(Nc2nc(Cl)nc(N3CCOCC3)n2)c1 FC(F)(F)[*:1] Clc1nc(nc(n1)N1CCOCC1)Nc1cccc(c1)[*:1]
COc1ccccc1Nc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] Clc1ncccc1[*:1] COc1ccccc1Nc1ncnc(N[*:1])c1[N+](=O)[O-]
COc1ccccc1Nc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] Clc1ncccc1N[*:1] COc1ccccc1Nc1ncnc(c1[N+](=O)[O-])[*:1]
COc1ccccc1Nc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1Nc1ncnc(Nc2cccnc2Cl)c1[*:1]
COc1ccccc1Nc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] COc1ccccc1[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1cccnc1Cl
O=C(COc1coc(CN2CCSCC2)cc1=O)N[C@@H]1CCS(=O)(=O)C1 C1CN(CCS1)[*:1] O=C(COc1coc(cc1=O)C[*:1])N[C@@H]1CCS(=O)(=O)C1
O=C(COc1coc(CN2CCSCC2)cc1=O)N[C@@H]1CCS(=O)(=O)C1 C1CN(CCS1)C[*:1] O=C(COc1coc(cc1=O)[*:1])N[C@@H]1CCS(=O)(=O)C1
CC(C)N(C(=O)c1ccc(C(=O)N(C)C)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)c1ccc(cc1)C(=O)N(C)C)[*:1]
CC(C)N(C(=O)c1ccc(C(=O)N(C)C)cc1)c1ccccc1 CN(C)C(=O)[*:1] CC(C)N(C(=O)c1ccc(cc1)[*:1])c1ccccc1
CC(C)N(C(=O)c1ccc(C(=O)N(C)C)cc1)c1ccccc1 CC(C)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)N(c1ccccc1)[*:1]
CC(C)n1ccc(C(=O)NC[C@@]2(O)CCSC2)n1 CC(C)[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccn(n1)[*:1]
Cc1nc([N-]S(=O)(=O)C2CCOCC2)ccc1Br C1CC(CCO1)[*:1] Cc1nc(ccc1Br)[N-]S(=O)(=O)[*:1]
CC(C)(C)c1nc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)n[nH]1 CC(C)(C)[*:1] O=C(c1n[nH]c(n1)[*:1])N1C[C@@H]2C[NH2+]C[C@H]2C1
COC[C@@]1(C)CC(=O)NC(=O)[C@@H]1c1ccccc1 COC[*:1] C[C@]1(CC(=O)NC(=O)[C@@H]1c1ccccc1)[*:1]
COC[C@@]1(C)CC(=O)NC(=O)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COC[C@@]1(C)CC(=O)NC(=O)[C@H]1[*:1]
N#CCN1CCN(CC(=O)NCCCC2CCCCC2)CC1 N#CC[*:1] O=C(CN1CCN(CC1)[*:1])NCCCC1CCCCC1
N#CCN1CCN(CC(=O)NCCCC2CCCCC2)CC1 C1CCC(CC1)[*:1] N#CCN1CCN(CC1)CC(=O)NCCC[*:1]
N#CCN1CCN(CC(=O)NCCCC2CCCCC2)CC1 C1CCC(CC1)C[*:1] N#CCN1CCN(CC1)CC(=O)NCC[*:1]
Cc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(cc1)-n1cnnn1)N[*:1]
Cc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1 c1nnnn1[*:1] Cc1ccc(cc1)NC(=O)COc1ccc(cc1)[*:1]
COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccco2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccco1)N(CC[*:1])Cc1nc2ccccc2c(=O)[nH]1
COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccco2)cc1 COc1ccc(cc1)C[*:1] O=C(c1ccco1)N(Cc1nc2ccccc2c(=O)[nH]1)C[*:1]
COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccco2)cc1 COc1ccc(cc1)CC[*:1] O=C(c1ccco1)N(Cc1nc2ccccc2c(=O)[nH]1)[*:1]
COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[*:1]
O=S(=O)(NCCCn1ccnc1)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=S(=O)(NCCCn1ccnc1)c1cnn(c1)[*:1]
O=S(=O)(NCCCn1ccnc1)c1cnn(-c2ccccc2)c1 c1cn(cn1)C[*:1] O=S(=O)(NCC[*:1])c1cnn(c1)-c1ccccc1
O=S(=O)(NCCCn1ccnc1)c1cnn(-c2ccccc2)c1 c1cn(cn1)CC[*:1] O=S(=O)(NC[*:1])c1cnn(c1)-c1ccccc1
O=S(=O)(NCCCn1ccnc1)c1cnn(-c2ccccc2)c1 c1cn(cn1)[*:1] O=S(=O)(NCCC[*:1])c1cnn(c1)-c1ccccc1
Cc1cccc(C2=CCN(C(=O)NCC[C@H](C)[S@](C)=O)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H](CCNC(=O)N1CC=C(CC1)[*:1])[S@](C)=O
C[NH+]1CCN(c2ccc3nnc(CCC(=O)Nc4nccs4)n3n2)CC1 O=C(Nc1nccs1)[*:1] C[NH+]1CCN(CC1)c1ccc2nnc(CC[*:1])n2n1
C[NH+]1CCN(c2ccc3nnc(CCC(=O)Nc4nccs4)n3n2)CC1 c1csc(n1)[*:1] C[NH+]1CCN(CC1)c1ccc2nnc(CCC(=O)N[*:1])n2n1
Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1nc(sc1C(=O)N1CC=C(CC1)[*:1])-c1nc[nH]n1
C[C@@]1(c2ccsc2)NC(=O)N(Cc2cccc3ccccc23)C1=O c1cc(cs1)[*:1] C[C@]1(NC(=O)N(Cc2cccc3ccccc23)C1=O)[*:1]
COCC(=O)N1CCN(C(=O)N[C@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)CC1 COC[*:1] O=C(N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)N1CCN(CC1)C(=O)[*:1]
CC(C)(O)CCSCc1ccccc1 CC(C)(O)[*:1] c1ccc(cc1)CSCC[*:1]
Cc1c([C@@H](C)N[C@H](C)[C@H](O)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])[C@@H](C)N[C@H](C)[C@H](O)c1ccc(F)c(F)c1
Cc1c([C@@H](C)N[C@H](C)[C@H](O)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] Fc1ccc(cc1F)[*:1] Cc1c(cccc1[N+](=O)[O-])[C@@H](C)N[C@H](C)[C@H](O)[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)O[C@@H]3CCOC3=O)cc2)C1 O=C1OCC[C@H]1[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)O[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCc1nnc(N)s1 Nc1nnc(C[*:1])s1 C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCc1nnc(N)s1 Nc1nnc(s1)[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC[*:1]
N#Cc1cccc(C(=O)N2CCC(CC(=O)[O-])CC2)c1 O=C([O-])[*:1] N#Cc1cccc(c1)C(=O)N1CCC(CC1)C[*:1]
N#Cc1cccc(C(=O)N2CCC(CC(=O)[O-])CC2)c1 O=C([O-])C[*:1] N#Cc1cccc(c1)C(=O)N1CCC(CC1)[*:1]
Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])[C@H](C)[NH2+][C@@H]1CC(=O)N(C1)C1CC1
Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cnn1-c1ccccn1 C1CC1[*:1] Cc1c(cnn1-c1ccccn1)[C@H](C)[NH2+][C@@H]1CC(=O)N(C1)[*:1]
Cn1cccc1C(=O)NCCNC(=O)c1ccc2ccccc2c1O Cn1cccc1[*:1] O=C(NCCNC(=O)[*:1])c1ccc2ccccc2c1O
COC(=O)c1ccc2c(c1)CCN2C(=O)CC(C)(C)C COC(=O)[*:1] CC(C)(C)CC(=O)N1CCc2cc(ccc21)[*:1]
COC(=O)c1ccc2c(c1)CCN2C(=O)CC(C)(C)C CC(C)(C)[*:1] COC(=O)c1ccc2c(c1)CCN2C(=O)C[*:1]
COC(=O)c1ccc2c(c1)CCN2C(=O)CC(C)(C)C CC(C)(C)C[*:1] COC(=O)c1ccc2c(c1)CCN2C(=O)[*:1]
CC[C@H]1CCC(=O)[C@H]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 CS(=O)(=O)[*:1] CC[C@H]1CCC(=O)[C@@H](C1)[C@@H]1CCC[C@H](C1)[*:1]
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC1CC1)C(C)C CC(C)[*:1] Cc1ccc(cc1S(=O)(=O)N(CC1CC1)[*:1])C(=O)[O-]
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC1CC1)C(C)C O=C([O-])[*:1] Cc1ccc(cc1S(=O)(=O)N(CC1CC1)C(C)C)[*:1]
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC1CC1)C(C)C C1CC1[*:1] Cc1ccc(cc1S(=O)(=O)N(C[*:1])C(C)C)C(=O)[O-]
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC1CC1)C(C)C C1CC1C[*:1] Cc1ccc(cc1S(=O)(=O)N(C(C)C)[*:1])C(=O)[O-]
COc1ccc(Nc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 CC(C)[*:1] COc1ccc(cc1)Nc1ccc(cn1)S(=O)(=O)N[*:1]
COc1ccc(Nc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 CC(C)NS(=O)(=O)[*:1] COc1ccc(cc1)Nc1ccc(cn1)[*:1]
CCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)cc1 Clc1ccc(Cl)c(c1)[*:1] CCN(CC(=O)N[*:1])S(=O)(=O)c1ccc(cc1)OC
CCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)[*:1]
CC[C@H](C)NC(=O)NNC(=O)c1cc(C)oc1C CC[C@H](C)[*:1] Cc1cc(C(=O)NNC(=O)N[*:1])c(C)o1
CC(C)(C)[C@@H](NC(=O)Nc1cnn(-c2ncccn2)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(C)[C@@H](NC(=O)Nc1cnn(c1)-c1ncccn1)[*:1]
CC(C)(C)[C@@H](NC(=O)Nc1cnn(-c2ncccn2)c1)c1cccc(F)c1 c1cnc(nc1)[*:1] CC(C)(C)[C@@H](NC(=O)Nc1cnn(c1)[*:1])c1cccc(F)c1
CC(C)(C)[C@@H](NC(=O)Nc1cnn(-c2ncccn2)c1)c1cccc(F)c1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)-c1ncccn1)N[C@@H](c1cccc(F)c1)[*:1]
O=C(Nc1ccc(F)cc1Br)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(Nc1ccc(F)cc1Br)NC(C1CC1)[*:1]
N#Cc1ccc(Oc2ccc(C(N)=O)nn2)c(N)c1 NC(=O)[*:1] N#Cc1ccc(Oc2ccc(nn2)[*:1])c(N)c1
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2nc(C3CC3)no2)c(F)c1 Cc1ccc(c(F)c1)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1nc(no1)C1CC1
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2nc(C3CC3)no2)c(F)c1 C1CC1[*:1] Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2nc(no2)[*:1])c(F)c1
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2nc(C3CC3)no2)c(F)c1 C1CC1c1noc(n1)[*:1] Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)C[*:1])c(F)c1
C=C(C)C[C@@H]([NH2+]CCC)c1ccc(CC)cc1 C=C(C)[*:1] CCC[NH2+][C@H](C[*:1])c1ccc(cc1)CC
C=C(C)C[C@@H]([NH2+]CCC)c1ccc(CC)cc1 C=C(C)C[*:1] CCC[NH2+][C@@H](c1ccc(cc1)CC)[*:1]
C=C(C)C[C@@H]([NH2+]CCC)c1ccc(CC)cc1 CCC[*:1] C=C(C)C[C@@H]([NH2+][*:1])c1ccc(cc1)CC
Cc1ccc(-c2noc3c(Nc4ccc(F)cc4F)ncnc23)cc1 Cc1ccc(cc1)[*:1] Fc1ccc(Nc2ncnc3c(noc23)[*:1])c(F)c1
Cc1ccc(-c2noc3c(Nc4ccc(F)cc4F)ncnc23)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)-c1noc2c(ncnc12)N[*:1]
CCc1ncc(CN(C)C(=O)/C(=N/OC)c2ccco2)s1 c1coc(c1)[*:1] CCc1ncc(CN(C)C(=O)/C(=N/OC)[*:1])s1
CCc1ncc(CN(C)C(=O)/C(=N/OC)c2ccco2)s1 CCc1ncc(s1)[*:1] CO/N=C(/C(=O)N(C)C[*:1])c1ccco1
CC(C)n1nccc1NC(=O)N(C)C[C@H](O)CN1CCOCC1 C1CN(CCO1)C[*:1] CC(C)n1nccc1NC(=O)N(C)C[C@H](O)[*:1]
CC(C)n1nccc1NC(=O)N(C)C[C@H](O)CN1CCOCC1 C1CN(CCO1)[*:1] CC(C)n1nccc1NC(=O)N(C)C[C@H](O)C[*:1]
CC(C)n1nccc1NC(=O)N(C)C[C@H](O)CN1CCOCC1 CC(C)[*:1] CN(C[C@H](O)CN1CCOCC1)C(=O)Nc1ccnn1[*:1]
Cc1occc1-c1nnc(SCCCC#N)o1 N#CCCC[*:1] Cc1occc1-c1nnc(o1)S[*:1]
Cc1occc1-c1nnc(SCCCC#N)o1 N#CCC[*:1] Cc1occc1-c1nnc(o1)SC[*:1]
Cc1occc1-c1nnc(SCCCC#N)o1 N#CC[*:1] Cc1occc1-c1nnc(o1)SCC[*:1]
CCCCOc1ccc(C)cc1S(N)(=O)=O CCC[*:1] Cc1ccc(OC[*:1])c(c1)S(N)(=O)=O
CCCCOc1ccc(C)cc1S(N)(=O)=O CCCCO[*:1] Cc1ccc(c(c1)S(N)(=O)=O)[*:1]
CCCCOc1ccc(C)cc1S(N)(=O)=O CCCC[*:1] Cc1ccc(O[*:1])c(c1)S(N)(=O)=O
CCCCOc1ccc(C)cc1S(N)(=O)=O NS(=O)(=O)[*:1] CCCCOc1ccc(C)cc1[*:1]
COc1ccccc1N1C(=N)S/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] COc1ccccc1N1C(=N)S/C(=C/c2ccc(Br)c(c2)[*:1])C1=O
COc1ccccc1N1C(=N)S/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)C1=O COc1ccccc1[*:1] N=C1S/C(=C/c2ccc(Br)c(c2)[N+](=O)[O-])C(=O)N1[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3oc(C)nc3C)C2)c1 CCOC(=O)[*:1] Cc1nc(C)c(o1)C(=O)N1CCC[C@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3oc(C)nc3C)C2)c1 Cc1nc(C)c(o1)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)[*:1]
COC(=O)C[C@@H](NC(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 COC(=O)C[*:1] O=C(Nc1nnc(s1)C1CCCCC1)N[C@@H](c1ccccc1)[*:1]
COC(=O)C[C@@H](NC(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 C1CCC(CC1)[*:1] COC(=O)C[C@@H](NC(=O)Nc1nnc(s1)[*:1])c1ccccc1
COC(=O)C[C@@H](NC(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 COC(=O)[*:1] O=C(Nc1nnc(s1)C1CCCCC1)N[C@H](C[*:1])c1ccccc1
COC(=O)C[C@@H](NC(=O)Nc1nnc(C2CCCCC2)s1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C[C@@H](NC(=O)Nc1nnc(s1)C1CCCCC1)[*:1]
C[C@H]1CCC[C@H](N2CCO[C@H](/C(N)=N/O)C2)C1 N/C(=N\O)[*:1] C[C@H]1CCC[C@@H](C1)N1CCO[C@H](C1)[*:1]
CCc1cccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3n2)c1 CCc1cccc(c1)[*:1] O=C(CS(=O)(=O)c1ccc2ccccc2n1)N[*:1]
CC(C)(C)OC(=O)N1CCN(C(=S)NC(=O)/C=C/c2ccccc2)CC1 CC(C)(C)[*:1] O=C(/C=C/c1ccccc1)NC(=S)N1CCN(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCN(C(=S)NC(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C=C[*:1]
CC(C)(C)OC(=O)N1CCN(C(=S)NC(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)[*:1]
Cc1ccc(C[NH+](CC(C)(C)O)C(C)C)cc1C CC(C)(O)[*:1] Cc1ccc(cc1C)C[NH+](C[*:1])C(C)C
Cc1ccc(C[NH+](CC(C)(C)O)C(C)C)cc1C CC(C)(O)C[*:1] Cc1ccc(cc1C)C[NH+](C(C)C)[*:1]
Cc1ccc(C[NH+](CC(C)(C)O)C(C)C)cc1C CC(C)[*:1] Cc1ccc(cc1C)C[NH+](CC(C)(C)O)[*:1]
C[C@H](Cc1ccccc1)C(=O)N[C@@H](C#N)C(C)(C)C c1ccc(cc1)[*:1] C[C@H](C[*:1])C(=O)N[C@@H](C#N)C(C)(C)C
C[C@H](Cc1ccccc1)C(=O)N[C@@H](C#N)C(C)(C)C CC(C)(C)[*:1] C[C@H](Cc1ccccc1)C(=O)N[C@@H](C#N)[*:1]
Cc1ccc(CN(C)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)s1 Cc1ccc(s1)[*:1] CN(C[*:1])C(=O)Nc1cnn(c1)C[C@@H]1CCCO1
Cc1ccc(CN(C)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)s1 Cc1ccc(C[*:1])s1 CN(C(=O)Nc1cnn(c1)C[C@@H]1CCCO1)[*:1]
Cc1ccc(CN(C)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)s1 C1CO[C@@H](C1)[*:1] Cc1ccc(CN(C)C(=O)Nc2cnn(c2)C[*:1])s1
Cc1ccc(CN(C)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)s1 C1CO[C@@H](C1)C[*:1] Cc1ccc(CN(C)C(=O)Nc2cnn(c2)[*:1])s1
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc2ccc(Cl)nn12 CCOC(=O)[*:1] Cc1[nH]c(C)c(c1C(=O)CSc1nnc2ccc(Cl)nn12)[*:1]
Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2F)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(CSCC(=O)N[*:1])Nc1ccccc1F
Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2F)cc1Cl Fc1ccccc1[*:1] Cc1ccc(cc1Cl)NC(=O)CSCC(=O)N[*:1]
CCCCCCO[C@H]1CCC[C@@]([NH3+])(C(N)=O)C1 CCC[*:1] NC(=O)[C@]1([NH3+])CCC[C@@H](C1)OCCC[*:1]
CCCCCCO[C@H]1CCC[C@@]([NH3+])(C(N)=O)C1 CCCC[*:1] NC(=O)[C@]1([NH3+])CCC[C@@H](C1)OCC[*:1]
CCCCCCO[C@H]1CCC[C@@]([NH3+])(C(N)=O)C1 CCCCC[*:1] NC(=O)[C@]1([NH3+])CCC[C@@H](C1)OC[*:1]
CCCCCCO[C@H]1CCC[C@@]([NH3+])(C(N)=O)C1 NC(=O)[*:1] CCCCCCO[C@H]1CCC[C@@]([NH3+])(C1)[*:1]
C=C(C)CN(CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 C=C(C)C[*:1] CCN(S(=O)(=O)c1ccc(C)c(c1)[N+](=O)[O-])[*:1]
C=C(C)CN(CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 C=C(C)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(C)c(c1)[N+](=O)[O-]
C=C(C)CN(CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C=C(C)CN(CC)S(=O)(=O)c1ccc(C)c(c1)[*:1]
Cc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])CN1CCC[C@@H](CN2CCOCC2)C1
Cc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] C1CN(CCO1)C[*:1] Cc1ccc(cc1[N+](=O)[O-])CN1CCC[C@@H](C1)[*:1]
Cc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] C1CN(CCO1)[*:1] Cc1ccc(cc1[N+](=O)[O-])CN1CCC[C@H](C1)C[*:1]
CCC([NH3+])(CC)C(=O)N(CCC(=O)[O-])C(C)C O=C([O-])CC[*:1] CCC([NH3+])(CC)C(=O)N(C(C)C)[*:1]
CCC([NH3+])(CC)C(=O)N(CCC(=O)[O-])C(C)C O=C([O-])C[*:1] CCC([NH3+])(CC)C(=O)N(C[*:1])C(C)C
CCC([NH3+])(CC)C(=O)N(CCC(=O)[O-])C(C)C O=C([O-])[*:1] CCC([NH3+])(CC)C(=O)N(CC[*:1])C(C)C
CCC([NH3+])(CC)C(=O)N(CCC(=O)[O-])C(C)C CC(C)[*:1] CCC([NH3+])(CC)C(=O)N(CCC(=O)[O-])[*:1]
Cn1cnnc1[C@H]1CCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 Cn1cnnc1[*:1] FC(F)(F)c1cc(cc(c1)C(F)(F)F)CN1CCC[C@@H]1[*:1]
Cn1cnnc1[C@H]1CCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] Cn1cnnc1[C@H]1CCCN1Cc1cc(cc(c1)[*:1])C(F)(F)F
CC(C)c1ccc(N(C(=O)COc2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 Clc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)N(C(=O)CO[*:1])[C@H]1C=CS(=O)(=O)C1
CC(C)c1ccc(N(C(=O)COc2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 CC(C)[*:1] O=C(COc1ccc(Cl)cc1)N(c1ccc(cc1)[*:1])[C@H]1C=CS(=O)(=O)C1
CC(C)c1ccc(N(C(=O)COc2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 Clc1ccc(cc1)O[*:1] CC(C)c1ccc(cc1)N(C(=O)C[*:1])[C@H]1C=CS(=O)(=O)C1
CC(C)c1ccc(N(C(=O)COc2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)N([C@H]1C=CS(=O)(=O)C1)[*:1]
CC(C)c1ccc(N(C(=O)COc2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 Clc1ccc(cc1)OC[*:1] CC(C)c1ccc(cc1)N(C(=O)[*:1])[C@H]1C=CS(=O)(=O)C1
CC(C)[C@H](NC(=O)NC1CCCCC1)c1nc(C2CC2)no1 C1CCC(CC1)[*:1] CC(C)[C@H](NC(=O)N[*:1])c1nc(no1)C1CC1
CC(C)[C@H](NC(=O)NC1CCCCC1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@H](NC(=O)NC1CCCCC1)c1nc(no1)[*:1]
CC(C)[C@H](NC(=O)NC1CCCCC1)c1nc(C2CC2)no1 CC(C)[*:1] O=C(NC1CCCCC1)N[C@H](c1nc(no1)C1CC1)[*:1]
Cc1ccc2cccc(Oc3ncnc(N4CCCC[C@H]4C)c3[N+](=O)[O-])c2n1 O=[N+]([O-])[*:1] Cc1ccc2cccc(Oc3ncnc(c3[*:1])N3CCCC[C@H]3C)c2n1
COC(=O)c1ccc(NC(=O)Cn2c(-c3cccnc3)nc3ccccc32)cc1 COC(=O)[*:1] O=C(Cn1c(nc2ccccc21)-c1cccnc1)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)Cn2c(-c3cccnc3)nc3ccccc32)cc1 c1cncc(c1)[*:1] COC(=O)c1ccc(cc1)NC(=O)Cn1c(nc2ccccc21)[*:1]
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] N#C[C@H]([C@H]1CCCN1C(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1]
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N(C)C[*:1])C(=O)N1C[C@H](C)C[C@@H](C)C1
COc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1S(=O)(=O)N(C)[*:1])C(=O)N1C[C@H](C)C[C@@H](C)C1
CC/[NH+]=C(/NCc1cc(C)oc1C)N1CC[C@@H]([N+]2=CCCC2)C1 Cc1cc(c(C)o1)[*:1] CC/[NH+]=C(/NC[*:1])N1CC[C@H](C1)[N+]1=CCCC1
Cc1cc(C(=O)Nc2ccc(Cl)cc2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)Nc2ccc(Cl)cc2)c(C)n1[*:1]
O=C([O-])[C@@]1([C@@H]2CCC[C@@H]2O)CCCc2ccccc21 O[C@H]1CCC[C@H]1[*:1] O=C([O-])[C@]1(CCCc2ccccc21)[*:1]
O=C([O-])[C@@]1([C@@H]2CCC[C@@H]2O)CCCc2ccccc21 O=C([O-])[*:1] O[C@H]1CCC[C@H]1[C@]1(CCCc2ccccc21)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N(Cc1ccccc1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N(Cc1ccccc1)C[*:1]
Cc1ccc(N2C[C@@H](C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N(Cc1ccccc1)Cc1ccccc1
CC(=O)C(C)(C)C[NH+](CCO)C1CC1 C1CC1[*:1] CC(=O)C(C)(C)C[NH+](CCO)[*:1]
CC(=O)C(C)(C)C[NH+](CCO)C1CC1 OCC[*:1] CC(=O)C(C)(C)C[NH+](C1CC1)[*:1]
CC(=O)C(C)(C)C[NH+](CCO)C1CC1 CC(=O)[*:1] CC(C)(C[NH+](CCO)C1CC1)[*:1]
C=CC[NH2+]CC(=O)N(C)C1CC[NH+](CCC)CC1 CCC[*:1] C=CC[NH2+]CC(=O)N(C)C1CC[NH+](CC1)[*:1]
C=CC[NH2+]CC(=O)N(C)C1CC[NH+](CCC)CC1 C=CC[*:1] CCC[NH+]1CCC(CC1)N(C)C(=O)C[NH2+][*:1]
C[C@@H](OC(=O)COc1ccc2ccc(=O)oc2c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@H](OC(=O)COc1ccc2ccc(=O)oc2c1)[*:1]
C[C@@H](OC(=O)COc1ccc2ccc(=O)oc2c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H](OC(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(cc1)[*:1]
CCN(C(=O)Cc1ccc(NCc2[nH+]ccn2C)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)Cc1ccc(cc1)NCc1[nH+]ccn1C)[*:1]
CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1cc(C(F)(F)F)ccc1=O FC(F)(F)[*:1] CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1cc(ccc1=O)[*:1]
CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1cc(C(F)(F)F)ccc1=O Clc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)Cn1cc(ccc1=O)C(F)(F)F
Cc1ccc2cccc(C(=O)NCC[C@@H](O)c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1ccc2cccc(C(=O)NCC[C@@H](O)[*:1])c2n1
Cc1ccc2cccc(C(=O)NCC[C@@H](O)c3ccccc3)c2n1 O[C@@H](c1ccccc1)[*:1] Cc1ccc2cccc(C(=O)NCC[*:1])c2n1
CCCCN(C)C(=O)N[C@H](C)c1ccc(Cl)s1 CCC[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1ccc(Cl)s1
CCCCN(C)C(=O)N[C@H](C)c1ccc(Cl)s1 CCCC[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccc(Cl)s1
CCCNC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 CCC[*:1] Cc1cccc(c1)-n1c(nnc1-c1c[nH]c2ccccc12)SCC(=O)NC(=O)N[*:1]
CCCNC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 Cc1cccc(c1)[*:1] CCCNC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1[*:1]
CCCNC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 CCCNC(=O)NC(=O)C[*:1] Cc1cccc(c1)-n1c(nnc1-c1c[nH]c2ccccc12)S[*:1]
CCCNC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 c1ccc2c(c[nH]c2c1)[*:1] CCCNC(=O)NC(=O)CSc1nnc(n1-c1cccc(C)c1)[*:1]
CCCNC(=O)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 CCCNC(=O)NC(=O)[*:1] Cc1cccc(c1)-n1c(nnc1-c1c[nH]c2ccccc12)SC[*:1]
NC(=O)C[C@@H](CC(=O)[O-])c1cccc(Br)c1 NC(=O)C[*:1] O=C([O-])C[C@@H](c1cccc(Br)c1)[*:1]
NC(=O)C[C@@H](CC(=O)[O-])c1cccc(Br)c1 O=C([O-])[*:1] NC(=O)C[C@@H](C[*:1])c1cccc(Br)c1
NC(=O)C[C@@H](CC(=O)[O-])c1cccc(Br)c1 O=C([O-])C[*:1] NC(=O)C[C@@H](c1cccc(Br)c1)[*:1]
NC(=O)C[C@@H](CC(=O)[O-])c1cccc(Br)c1 NC(=O)[*:1] O=C([O-])C[C@H](C[*:1])c1cccc(Br)c1
O=C(NC[C@H](O)c1cccc(OC(F)F)c1)[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)[*:1]
O=C(NC[C@H](O)c1cccc(OC(F)F)c1)[C@H](O)c1ccccc1 FC(F)[*:1] O=C(NC[C@H](O)c1cccc(c1)O[*:1])[C@H](O)c1ccccc1
O=C(NC[C@H](O)c1cccc(OC(F)F)c1)[C@H](O)c1ccccc1 FC(F)O[*:1] O=C(NC[C@H](O)c1cccc(c1)[*:1])[C@H](O)c1ccccc1
O=C(NC[C@H](O)c1cccc(OC(F)F)c1)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)[C@H](O)[*:1]
C[C@H](c1nnnn1-c1ccccc1)N(C)Cc1ccco1 c1coc(c1)C[*:1] C[C@H](c1nnnn1-c1ccccc1)N(C)[*:1]
C[C@H](c1nnnn1-c1ccccc1)N(C)Cc1ccco1 c1coc(c1)[*:1] C[C@H](c1nnnn1-c1ccccc1)N(C)C[*:1]
C[C@H](c1nnnn1-c1ccccc1)N(C)Cc1ccco1 c1ccc(cc1)[*:1] C[C@H](c1nnnn1[*:1])N(C)Cc1ccco1
C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 Oc1ccc(cc1)[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccc(cc1)C(=O)N1CCCCCC1
C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 O=C(N1CCCCCC1)[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 Oc1ccc(cc1)C[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)C(=O)N1CCCCCC1)[*:1]
CCC(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1 C1CC1[*:1] CCC(=O)Nc1c(n[nH]c1[*:1])-c1ccc(cc1)C(F)(F)F
CCC(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1 CCC(=O)N[*:1] FC(F)(F)c1ccc(cc1)-c1n[nH]c(c1[*:1])C1CC1
CCC(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1 FC(F)(F)[*:1] CCC(=O)Nc1c(n[nH]c1C1CC1)-c1ccc(cc1)[*:1]
CCCCn1c(N)c(N(CC)C(=O)c2ccc(-c3ccccc3Cl)o2)c(=O)[nH]c1=O Clc1ccccc1[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(CC)C(=O)c1ccc(o1)[*:1]
CCCCn1c(N)c(N(CC)C(=O)c2ccc(-c3ccccc3Cl)o2)c(=O)[nH]c1=O CCCC[*:1] CCN(C(=O)c1ccc(o1)-c1ccccc1Cl)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCCCn1c(N)c(N(CC)C(=O)c2ccc(-c3ccccc3Cl)o2)c(=O)[nH]c1=O CCC[*:1] CCN(C(=O)c1ccc(o1)-c1ccccc1Cl)c1c(N)n(C[*:1])c(=O)[nH]c1=O
Cc1cccc(-c2ccccc2O)c1C(=O)[O-] O=C([O-])[*:1] Cc1cccc(-c2ccccc2O)c1[*:1]
CN(C(=O)c1ccccc1NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1ccccc1NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CCN(CC)C(=O)c1ccccc1NCC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccccc1NCC(=O)N[*:1]
CCN(CC)C(=O)c1ccccc1NCC(=O)Nc1ccc(F)cc1 CCN(CC)C(=O)[*:1] O=C(CNc1ccccc1[*:1])Nc1ccc(F)cc1
Cc1cccc(N2C(=O)c3cccnc3[C@H]2CC(=O)NC2CC2)c1 C1CC1[*:1] Cc1cccc(c1)N1C(=O)c2cccnc2[C@H]1CC(=O)N[*:1]
Cc1cccc(N2C(=O)c3cccnc3[C@H]2CC(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] Cc1cccc(c1)N1C(=O)c2cccnc2[C@H]1C[*:1]
Cc1cccc(N2C(=O)c3cccnc3[C@H]2CC(=O)NC2CC2)c1 O=C(C[*:1])NC1CC1 Cc1cccc(c1)N1C(=O)c2cccnc2[C@@H]1[*:1]
Cc1cccc(N2C(=O)c3cccnc3[C@H]2CC(=O)NC2CC2)c1 Cc1cccc(c1)[*:1] O=C(C[C@@H]1c2ncccc2C(=O)N1[*:1])NC1CC1
CCOC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 CCOC(=O)N[*:1] O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](C1)[*:1]
CCOC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCOC(=O)N[C@H]1CCCN(C1)C(=O)C[*:1]
CC[C@@](C)([NH3+])C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] CC[C@@](C)([NH3+])C(=O)Nc1cc(Cl)ccc1[*:1]
COc1ccc(-c2nc(NC(=O)CSCc3ccccc3)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)CSCc1ccccc1
COc1ccc(-c2nc(NC(=O)CSCc3ccccc3)sc2C)cc1 c1ccc(cc1)CS[*:1] COc1ccc(cc1)-c1nc(NC(=O)C[*:1])sc1C
COc1ccc(-c2nc(NC(=O)CSCc3ccccc3)sc2C)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1nc(NC(=O)CS[*:1])sc1C
COc1ccc(-c2nc(NC(=O)CSCc3ccccc3)sc2C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(NC(=O)CSC[*:1])sc1C
NC(=O)[C@@H](SCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](SC[*:1])c1ccccc1
NC(=O)[C@@H](SCc1ccccc1)c1ccccc1 NC(=O)[*:1] c1ccc(cc1)CS[C@@H](c1ccccc1)[*:1]
NC(=O)[C@@H](SCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](SCc1ccccc1)[*:1]
CCC[C@@]1(C2CCN(c3nc(C)[nH+]cc3CC)CC2)NC(=O)NC1=O CCC[*:1] CCc1c[nH+]c(C)nc1N1CCC(CC1)[C@]1(NC(=O)NC1=O)[*:1]
CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cncs2)CC1 c1ncc(s1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)[NH2+]C[*:1]
CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cncs2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)[NH2+]Cc1cncs1
Cc1nnc(NC(=O)c2ccc(OCc3cccs3)cc2)s1 c1csc(c1)[*:1] Cc1nnc(NC(=O)c2ccc(cc2)OC[*:1])s1
Cc1nnc(NC(=O)c2ccc(OCc3cccs3)cc2)s1 c1csc(c1)C[*:1] Cc1nnc(NC(=O)c2ccc(cc2)O[*:1])s1
Cc1nnc(NC(=O)c2ccc(OCc3cccs3)cc2)s1 c1csc(c1)CO[*:1] Cc1nnc(NC(=O)c2ccc(cc2)[*:1])s1
Cc1nnc(NC(=O)c2ccc(OCc3cccs3)cc2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])c1ccc(cc1)OCc1cccs1
Cc1cnn(C[C@@H](C)[NH2+]Cc2cccc3c2OCCO3)c1 Cc1cnn(c1)C[*:1] C[C@@H]([NH2+]Cc1cccc2OCCOc12)[*:1]
Cc1cnn(C[C@@H](C)[NH2+]Cc2cccc3c2OCCO3)c1 Cc1cnn(c1)[*:1] C[C@H](C[*:1])[NH2+]Cc1cccc2OCCOc12
O=c1[nH]c(=S)n(Cc2cccnc2)c2c1CN(Cc1ccccc1)CN2 c1ccc(cc1)[*:1] O=c1[nH]c(=S)n(Cc2cccnc2)c2NCN(Cc21)C[*:1]
O=c1[nH]c(=S)n(Cc2cccnc2)c2c1CN(Cc1ccccc1)CN2 c1cncc(c1)C[*:1] O=c1[nH]c(=S)n(c2NCN(Cc3ccccc3)Cc21)[*:1]
O=c1[nH]c(=S)n(Cc2cccnc2)c2c1CN(Cc1ccccc1)CN2 c1ccc(cc1)C[*:1] O=c1[nH]c(=S)n(Cc2cccnc2)c2NCN(Cc21)[*:1]
O=c1[nH]c(=S)n(Cc2cccnc2)c2c1CN(Cc1ccccc1)CN2 c1cncc(c1)[*:1] O=c1[nH]c(=S)n(C[*:1])c2NCN(Cc3ccccc3)Cc21
O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(N[C@]1(C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)[*:1])c1ccc(F)cc1
O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)[C@]1(C(F)(F)F)[*:1]
O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)[C@]1(NC(=O)[*:1])C(F)(F)F
O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(N[C@]1(C(=O)Nc2c1c(=O)[nH]c(=O)n2[*:1])C(F)(F)F)c1ccc(F)cc1
Cc1csc2nc(C(=O)[O-])cn12 O=C([O-])[*:1] Cc1csc2nc(cn12)[*:1]
CC(C)[C@@H](C#N)C(=O)N(C)[C@@H](C)Cc1cccs1 CC(C)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)[C@H](C#N)[*:1]
CC(C)[C@@H](C#N)C(=O)N(C)[C@@H](C)Cc1cccs1 CC(C)[C@@H](C#N)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)[*:1]
CC(C)[C@@H](C#N)C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] CC(C)[C@@H](C#N)C(=O)N(C)[C@@H](C)[*:1]
CC(C)[C@@H](C#N)C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](C#N)C(=O)N(C)[C@@H](C)C[*:1]
Cc1ccc(C)c(NC(=O)Cn2nc3c(Oc4ccccc4Cl)nccn3c2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cn1nc2c(nccn2c1=O)Oc1ccccc1Cl)N[*:1]
Cc1ccc(C)c(NC(=O)Cn2nc3c(Oc4ccccc4Cl)nccn3c2=O)c1 Clc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)Cn1nc2c(nccn2c1=O)O[*:1]
Cc1ccc(C)c(NC(=O)Cn2nc3c(Oc4ccccc4Cl)nccn3c2=O)c1 Clc1ccccc1O[*:1] Cc1ccc(C)c(c1)NC(=O)Cn1nc2c(nccn2c1=O)[*:1]
C=CCn1c(S[C@@H](C)C(=O)N(C)C)nc2cc(Cl)ccc2c1=O CN(C)C(=O)[*:1] C=CCn1c(nc2cc(Cl)ccc2c1=O)S[C@@H](C)[*:1]
C=CCn1c(S[C@@H](C)C(=O)N(C)C)nc2cc(Cl)ccc2c1=O C=CC[*:1] C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1[*:1])C(=O)N(C)C
C=CCn1c(S[C@@H](C)C(=O)N(C)C)nc2cc(Cl)ccc2c1=O C[C@@H](C(=O)N(C)C)[*:1] C=CCn1c(nc2cc(Cl)ccc2c1=O)S[*:1]
CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 CC(C)(C)[*:1] O=C(O[*:1])C1CCC(CC1)[NH2+]Cc1ccccc1N1CCOCC1
CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)[NH2+]Cc1ccccc1[*:1]
CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 CC(C)(C)OC(=O)[*:1] c1ccc(c(c1)C[NH2+]C1CCC(CC1)[*:1])N1CCOCC1
CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@@H]1COc2ccccc2C1 CC(C)[*:1] O=C(NCCn1c(n[nH]c1=S)[*:1])[C@@H]1COc2ccccc2C1
CC[NH2+]C(C)(C)c1nc([C@H]2C[NH+]3CCN2CC3)no1 CC[NH2+]C(C)(C)[*:1] C1C[NH+]2CCN1[C@H](C2)c1noc(n1)[*:1]
Cn1c(C(=O)[O-])cc2cc(OCc3ccccc3)ccc21 c1ccc(cc1)[*:1] Cn1c(cc2cc(ccc21)OC[*:1])C(=O)[O-]
Cn1c(C(=O)[O-])cc2cc(OCc3ccccc3)ccc21 c1ccc(cc1)C[*:1] Cn1c(cc2cc(ccc21)O[*:1])C(=O)[O-]
Cn1c(C(=O)[O-])cc2cc(OCc3ccccc3)ccc21 O=C([O-])[*:1] Cn1c(cc2cc(ccc21)OCc1ccccc1)[*:1]
Cc1cc(NC(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)ccc1F O=C(N1CCOCC1)[*:1] Cc1cc(ccc1F)NC(=O)N1CCC[C@H]1[*:1]
Cc1cc(NC(=O)N2CCC[C@@H]2C(=O)N2CCOCC2)ccc1F Cc1cc(ccc1F)[*:1] O=C([C@H]1CCCN1C(=O)N[*:1])N1CCOCC1
C#CCNC(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 C#CC[*:1] C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)N[*:1]
CC[NH2+][C@@H](C)c1ccccc1O[C@@H](C)C(N)=O C[C@@H](C(N)=O)[*:1] CC[NH2+][C@@H](C)c1ccccc1O[*:1]
CC[NH2+][C@@H](C)c1ccccc1O[C@@H](C)C(N)=O NC(=O)[*:1] CC[NH2+][C@@H](C)c1ccccc1O[C@@H](C)[*:1]
CS[C@H](C)CC(=O)N1CCOC[C@@H]1C1CC1 CS[C@H](C)[*:1] O=C(C[*:1])N1CCOC[C@@H]1C1CC1
CS[C@H](C)CC(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] CS[C@H](C)CC(=O)N1CCOC[C@H]1[*:1]
CS[C@H](C)CC(=O)N1CCOC[C@@H]1C1CC1 CS[C@H](C)C[*:1] O=C(N1CCOC[C@@H]1C1CC1)[*:1]
COC[C@@H]1CN(Cc2ccc(OC(C)C)c(OC)c2)CCO1 COC[*:1] COc1cc(ccc1OC(C)C)CN1CCO[C@@H](C1)[*:1]
COC[C@@H]1CN(Cc2ccc(OC(C)C)c(OC)c2)CCO1 CC(C)O[*:1] COC[C@@H]1CN(CCO1)Cc1ccc(c(c1)OC)[*:1]
COC[C@@H]1CN(Cc2ccc(OC(C)C)c(OC)c2)CCO1 CC(C)[*:1] COC[C@@H]1CN(CCO1)Cc1ccc(O[*:1])c(c1)OC
CCCOc1ccc(CNC(=O)c2cn(C)nc2CC)cc1 CCC[*:1] CCc1nn(C)cc1C(=O)NCc1ccc(cc1)O[*:1]
CCCOc1ccc(CNC(=O)c2cn(C)nc2CC)cc1 CCCO[*:1] CCc1nn(C)cc1C(=O)NCc1ccc(cc1)[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@@H]1Oc1ccccc1C c1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](OC[C@@H]2O[C@@H]1Oc1ccccc1C)[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@@H]1Oc1ccccc1C Cc1ccccc1O[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@H](OC[C@@H]2O[C@H]1[*:1])c1ccccc1
CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@@H]1Oc1ccccc1C CC(=O)N[*:1] Cc1ccccc1O[C@H]1O[C@H]2CO[C@@H](O[C@@H]2[C@@H](O)[C@H]1[*:1])c1ccccc1
CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@@H]1Oc1ccccc1C Cc1ccccc1[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@H](OC[C@@H]2O[C@@H]1O[*:1])c1ccccc1
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc2c(c1)CCCC2 C1CO[C@@H](C1)C[*:1] O=C(Nc1cnn(c1)[*:1])c1ccc2CCCCc2c1
NS(=O)(=O)c1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 Fc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CCc1c([nH]c2ccccc12)[*:1]
NS(=O)(=O)c1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 NS(=O)(=O)[*:1] O=C(CCc1c([nH]c2ccccc12)-c1ccc(F)cc1)Nc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(CCc1c([nH]c2ccccc12)-c1ccc(F)cc1)N[*:1]
O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)N[C@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)N[C@H](c1ccccc1)[*:1]
O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)N[C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)N[C@H](C1CC1)[*:1]
COC(=O)CC1([NH2+]Cc2ncn(-c3ccccc3)n2)CCOCC1 c1ccc(cc1)[*:1] COC(=O)CC1(CCOCC1)[NH2+]Cc1ncn(n1)[*:1]
COC(=O)CC1([NH2+]Cc2ncn(-c3ccccc3)n2)CCOCC1 COC(=O)[*:1] c1ccc(cc1)-n1cnc(C[NH2+]C2(CCOCC2)C[*:1])n1
COC(=O)CC1([NH2+]Cc2ncn(-c3ccccc3)n2)CCOCC1 COC(=O)C[*:1] c1ccc(cc1)-n1cnc(C[NH2+]C2(CCOCC2)[*:1])n1
CCN(C)Cc1cccc(N)[nH+]1 CCN(C)[*:1] Nc1cccc(C[*:1])[nH+]1
O=C(c1ccco1)N1CCN(C(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)CC1 c1csc(c1)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)c1cnn2c1N[C@@H](C[C@H]2C(F)(F)F)[*:1]
O=C(c1ccco1)N1CCN(C(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)c1cnn2c1N[C@H](C[C@@H]2[*:1])c1cccs1
O=C(c1ccco1)N1CCN(C(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)CC1 c1coc(c1)[*:1] O=C(c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)c1cccs1)N1CCN(CC1)C(=O)[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(/C=C/c1ccc2OCOc2c1)N[*:1]
CCOC(=O)N1CCC[C@H](C(=O)OCc2coc(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] CCOC(=O)N1CCC[C@@H](C1)C(=O)OCc1coc(n1)[*:1]
C[C@H](CCl)CS(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1 C[C@H](CCl)[*:1] CS(=O)(=O)c1ccc(cc1)[N-]S(=O)(=O)C[*:1]
C[C@H](CCl)CS(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](CCl)CS(=O)(=O)[N-]c1ccc(cc1)[*:1]
CC(C)(C)C1CCC(C(=O)N2CCC(c3nnc4ccccn34)CC2)CC1 c1ccn2c(nnc2c1)[*:1] CC(C)(C)C1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
CC(C)(C)C1CCC(C(=O)N2CCC(c3nnc4ccccn34)CC2)CC1 CC(C)(C)[*:1] O=C(C1CCC(CC1)[*:1])N1CCC(CC1)c1nnc2ccccn12
COCC[NH2+]C[C@H]1C[C@]12CS[C@@H](C)C2 COCC[*:1] C[C@H]1C[C@]2(CS1)C[C@@H]2C[NH2+][*:1]
COCC[NH2+]C[C@H]1C[C@]12CS[C@@H](C)C2 COC[*:1] C[C@H]1C[C@]2(CS1)C[C@@H]2C[NH2+]C[*:1]
Cc1cc(C(=O)NCc2ccc(Cl)cc2Cl)on1 Cc1cc(on1)[*:1] O=C(NCc1ccc(Cl)cc1Cl)[*:1]
CCN(C(=O)c1ccc(C)c(F)c1)C1CC1 C1CC1[*:1] CCN(C(=O)c1ccc(C)c(F)c1)[*:1]
CNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(F)cc1 Clc1ccccc1[*:1] CNc1oc(nc1S(=O)(=O)c1ccc(F)cc1)[*:1]
CNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CNc1oc(nc1S(=O)(=O)[*:1])-c1ccccc1Cl
CC(C)n1c[nH+]c(S(=O)(=O)/N=C(\[O-])C2C[C@H](C)O[C@@H](C)C2)c1 CC(C)[*:1] C[C@H]1CC(C[C@H](C)O1)/C([O-])=N/S(=O)(=O)c1cn(c[nH+]1)[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)N(C)Cc1ccccc1F Fc1ccccc1[*:1] CC[C@@H](C)[C@H](NC(N)=O)C(=O)N(C)C[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)N(C)Cc1ccccc1F CC[C@@H](C)[*:1] CN(Cc1ccccc1F)C(=O)[C@@H](NC(N)=O)[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)N(C)Cc1ccccc1F NC(=O)N[*:1] CC[C@@H](C)[C@H](C(=O)N(C)Cc1ccccc1F)[*:1]
C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc([S@](C)=O)cc1 Fc1ccc(cc1)[*:1] C[C@H](CC[*:1])[NH2+]Cc1ccc(cc1)[S@](C)=O
C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1ccc(cc1)[*:1]
Cc1nc(COc2cccc(/C([O-])=N/S(=O)(=O)c3cccs3)c2)cs1 Cc1nc(cs1)C[*:1] O=S(=O)(/N=C(\[O-])c1cccc(c1)O[*:1])c1cccs1
Cc1nc(COc2cccc(/C([O-])=N/S(=O)(=O)c3cccs3)c2)cs1 c1csc(c1)[*:1] Cc1nc(cs1)COc1cccc(c1)/C([O-])=N/S(=O)(=O)[*:1]
Cc1nc(COc2cccc(/C([O-])=N/S(=O)(=O)c3cccs3)c2)cs1 Cc1nc(cs1)[*:1] O=S(=O)(/N=C(\[O-])c1cccc(c1)OC[*:1])c1cccs1
Cc1nc(COc2cccc(/C([O-])=N/S(=O)(=O)c3cccs3)c2)cs1 Cc1nc(cs1)CO[*:1] O=S(=O)(/N=C(\[O-])c1cccc(c1)[*:1])c1cccs1
C=CCO[C@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]12 C=CC[*:1] C1=C[C@H]2[C@H](C1)[C@H]1C[C@@H]2C[C@@H]1O[*:1]
C=CCO[C@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]12 C=CCO[*:1] C1=C[C@H]2[C@H](C1)[C@H]1C[C@@H]2C[C@@H]1[*:1]
CCOC(=O)N1CCC([NH2+][C@H](CC)CCO)CC1 OCC[*:1] CCOC(=O)N1CCC(CC1)[NH2+][C@H](CC)[*:1]
Cc1nc(-c2cccc(C(=O)NCC[C@H]3CN(C)CCO3)c2)no1 Cc1nc(no1)[*:1] CN1CCO[C@@H](CCNC(=O)c2cccc(c2)[*:1])C1
CC[C@@H]1CCCC[C@@H]1[C@@H](C)[C@@H](C)[NH2+]C(C)C CC(C)[*:1] CC[C@@H]1CCCC[C@@H]1[C@@H](C)[C@@H](C)[NH2+][*:1]
CCOC(=O)c1nccn1CC1CC[NH+](Cc2ccccc2)CC1 CCOC(=O)[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)Cn1ccnc1[*:1]
CCOC(=O)c1nccn1CC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)c1nccn1CC1CC[NH+](CC1)C[*:1]
CCOC(=O)c1nccn1CC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCOC(=O)c1nccn1CC1CC[NH+](CC1)[*:1]
Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCN(c3ccccc3F)CC2)cc1 Cc1ccc(cc1)[*:1] O=S1(=O)C[C@@H]([C@H](C1)S(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1F
Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCN(c3ccccc3F)CC2)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] O=S1(=O)C[C@@H]([C@H](C1)[*:1])N1CCN(CC1)c1ccccc1F
Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(CC1)[*:1]
C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[*:1]
O=C(Nc1cccs1)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1 c1csc(c1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)C(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1
O=C(Nc1cccs1)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1 Clc1ccc(cc1Cl)[*:1] O=C(Nc1cccs1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(C)c(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[*:1])N1CCO[C@H](C1)c1ccccc1F
Cc1ccc(C)c(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)c1 Fc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)N1CCO[C@@H](C1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 Cc1noc(C)c1[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCc2cc(ccc21)[*:1]
CC(C)Oc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2-n2cccn2)cc1 c1cnn(c1)[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)NC(=O)C(=O)Nc1ccccc1[*:1]
CC(C)Oc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2-n2cccn2)cc1 CC(C)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cccn1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2-n2cccn2)cc1 CC(C)O[*:1] C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cccn1)c1ccc(cc1)[*:1]
CC[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CCC(=O)N1C[*:1])C(=O)c1ccc2[nH]nnc2c1
CC[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@H]1CN(CCC(=O)N1[*:1])C(=O)c1ccc2[nH]nnc2c1
CC[C@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CCC(=O)N1Cc1ccccc1 c1cc2[nH]nnc2cc1[*:1] CC[C@H]1CN(CCC(=O)N1Cc1ccccc1)C(=O)[*:1]
O=C(Oc1ccc(N2CCCC2=O)cc1)[C@@H]1Cc2ccccc2O1 O=C1CCCN1[*:1] O=C(Oc1ccc(cc1)[*:1])[C@@H]1Cc2ccccc2O1
N#Cc1cccc(CNc2ccccc2OCC2CC2)c1 C1CC1CO[*:1] N#Cc1cccc(c1)CNc1ccccc1[*:1]
N#Cc1cccc(CNc2ccccc2OCC2CC2)c1 C1CC1[*:1] N#Cc1cccc(c1)CNc1ccccc1OC[*:1]
N#Cc1cccc(CNc2ccccc2OCC2CC2)c1 C1CC1C[*:1] N#Cc1cccc(c1)CNc1ccccc1O[*:1]
COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1O C1CO[C@@H](C1)[*:1] COc1cc(ccc1O)C(=S)NC[*:1]
COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1O C1CO[C@@H](C1)C[*:1] COc1cc(ccc1O)C(=S)N[*:1]
C=CCOc1ccc(C(=O)N2CCCN(C(=O)C(C)(C)C)CC2)cc1 CC(C)(C)[*:1] C=CCOc1ccc(cc1)C(=O)N1CCCN(CC1)C(=O)[*:1]
C=CCOc1ccc(C(=O)N2CCCN(C(=O)C(C)(C)C)CC2)cc1 C=CC[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)O[*:1]
C=CCOc1ccc(C(=O)N2CCCN(C(=O)C(C)(C)C)CC2)cc1 C=CCO[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ncnc(Nc3ccc(C)c(C)c3)c2[N+](=O)[O-])n1 Cc1ccc(cc1C)[*:1] Cc1cc(C)n(n1)-c1ncnc(N[*:1])c1[N+](=O)[O-]
Cc1cc(C)n(-c2ncnc(Nc3ccc(C)c(C)c3)c2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1cc(C)n(n1)-c1ncnc(Nc2ccc(C)c(C)c2)c1[*:1]
Cc1cc(C)n(-c2ncnc(Nc3ccc(C)c(C)c3)c2[N+](=O)[O-])n1 Cc1cc(C)n(n1)[*:1] Cc1ccc(cc1C)Nc1ncnc(c1[N+](=O)[O-])[*:1]
O=C(NCCCNc1ncccn1)c1cc(Cl)ccc1Cl c1cnc(nc1)[*:1] O=C(NCCCN[*:1])c1cc(Cl)ccc1Cl
O=C(NCCCNc1ncccn1)c1cc(Cl)ccc1Cl c1cnc(nc1)N[*:1] O=C(NCCC[*:1])c1cc(Cl)ccc1Cl
CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c1 CC(=O)c1cccc(c1)[*:1] C[C@@H](Sc1nc2cc(ccc2o1)S(=O)(=O)N(C)C)C(=O)N[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c1 CC(=O)[*:1] C[C@@H](Sc1nc2cc(ccc2o1)S(=O)(=O)N(C)C)C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c1 CN(C)S(=O)(=O)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](C)Sc1nc2cc(ccc2o1)[*:1]
CN(Cc1coc2c(Cl)cc(Cl)cc2c1=O)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1coc2c(Cl)cc(Cl)cc2c1=O)C[C@H](O)[*:1]
CN(Cc1coc2c(Cl)cc(Cl)cc2c1=O)C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] CN(Cc1coc2c(Cl)cc(Cl)cc2c1=O)C[*:1]
CC(C)n1c(CNC(=O)c2csc(Cc3ccccc3)n2)n[nH]c1=S CC(C)[*:1] O=C(NCc1n[nH]c(=S)n1[*:1])c1csc(Cc2ccccc2)n1
CC(C)n1c(CNC(=O)c2csc(Cc3ccccc3)n2)n[nH]c1=S c1ccc(cc1)[*:1] CC(C)n1c(CNC(=O)c2csc(C[*:1])n2)n[nH]c1=S
CC(C)n1c(CNC(=O)c2csc(Cc3ccccc3)n2)n[nH]c1=S c1ccc(cc1)C[*:1] CC(C)n1c(CNC(=O)c2csc(n2)[*:1])n[nH]c1=S
CC[C@H](CSC)N(C)C(=O)NCc1cccc2cccnc12 CSC[*:1] CC[C@H](N(C)C(=O)NCc1cccc2cccnc12)[*:1]
NNC(=O)[C@H](Oc1ccccc1Cl)c1ccccc1 NNC(=O)[*:1] Clc1ccccc1O[C@H](c1ccccc1)[*:1]
NNC(=O)[C@H](Oc1ccccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] NNC(=O)[C@H](Oc1ccccc1Cl)[*:1]
CC(C)S(=O)(=O)[C@H]1C[C@H]2CC[C@@H]1C2 CC(C)[*:1] O=S(=O)([C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
CCc1ccc(OCC(=O)Nc2ccnn2C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)OCC(=O)Nc1ccnn1[*:1]
CC(C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C CC(C)[*:1] C[C@@H](NC(=O)N[*:1])C(C)(C)C[NH+](C)C
Cc1nc(SCC(=O)N(C)CC(=O)NC2CC2)c2cc(-c3ccccc3)sc2n1 C1CC1[*:1] Cc1nc(SCC(=O)N(C)CC(=O)N[*:1])c2cc(sc2n1)-c1ccccc1
Cc1nc(SCC(=O)N(C)CC(=O)NC2CC2)c2cc(-c3ccccc3)sc2n1 O=C(C[*:1])NC1CC1 Cc1nc(SCC(=O)N(C)[*:1])c2cc(sc2n1)-c1ccccc1
Cc1nc(SCC(=O)N(C)CC(=O)NC2CC2)c2cc(-c3ccccc3)sc2n1 c1ccc(cc1)[*:1] Cc1nc(SCC(=O)N(C)CC(=O)NC2CC2)c2cc(sc2n1)[*:1]
Cc1nc(SCC(=O)N(C)CC(=O)NC2CC2)c2cc(-c3ccccc3)sc2n1 O=C(NC1CC1)[*:1] Cc1nc(SCC(=O)N(C)C[*:1])c2cc(sc2n1)-c1ccccc1
CC[C@@H]1c2ccccc2CCN1C(=O)NCc1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H]1c2ccccc2CCN1C(=O)NC[*:1]
CC[C@@H]1c2ccccc2CCN1C(=O)NCc1noc(C)n1 Cc1nc(C[*:1])no1 CC[C@@H]1c2ccccc2CCN1C(=O)N[*:1]
CCSc1cncc(N2CCC(C(=O)NCc3cccnc3)CC2)n1 c1cncc(c1)[*:1] CCSc1cncc(n1)N1CCC(CC1)C(=O)NC[*:1]
CCSc1cncc(N2CCC(C(=O)NCc3cccnc3)CC2)n1 c1cncc(c1)C[*:1] CCSc1cncc(n1)N1CCC(CC1)C(=O)N[*:1]
CCSc1cncc(N2CCC(C(=O)NCc3cccnc3)CC2)n1 CCS[*:1] O=C(NCc1cccnc1)C1CCN(CC1)c1cncc(n1)[*:1]
Cc1ccccc1CNC(=O)[C@@H](C)N1CCN(Cc2cccnc2)CC1 Cc1ccccc1C[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)Cc1cccnc1
Cc1ccccc1CNC(=O)[C@@H](C)N1CCN(Cc2cccnc2)CC1 Cc1ccccc1[*:1] C[C@H](C(=O)NC[*:1])N1CCN(CC1)Cc1cccnc1
Cc1ccccc1CNC(=O)[C@@H](C)N1CCN(Cc2cccnc2)CC1 c1cncc(c1)[*:1] Cc1ccccc1CNC(=O)[C@@H](C)N1CCN(CC1)C[*:1]
Cc1ccccc1CNC(=O)[C@@H](C)N1CCN(Cc2cccnc2)CC1 c1cncc(c1)C[*:1] Cc1ccccc1CNC(=O)[C@@H](C)N1CCN(CC1)[*:1]
CC[C@@H](C)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21 c1cncc(c1)[*:1] CC[C@@H](C)Cn1c(CCNC(=O)[*:1])nc2ccccc21
CS(=O)(=O)[C@H]1CCC[C@@H](S(=O)(=O)c2ccccc2F)C1 CS(=O)(=O)[*:1] O=S(=O)(c1ccccc1F)[C@@H]1CCC[C@@H](C1)[*:1]
Cc1cc(C)c2nncc(C(=O)OCCC#N)c2c1 N#CCC[*:1] Cc1cc(C)c2nncc(C(=O)O[*:1])c2c1
Cc1cc(C)c2nncc(C(=O)OCCC#N)c2c1 N#CC[*:1] Cc1cc(C)c2nncc(C(=O)OC[*:1])c2c1
Cc1ccc(NC(=O)CO/N=C(/N)Cn2cccn2)cc1 c1cnn(c1)[*:1] Cc1ccc(cc1)NC(=O)CO/N=C(/N)C[*:1]
Cc1ccc(NC(=O)CO/N=C(/N)Cn2cccn2)cc1 Cc1ccc(cc1)[*:1] N/C(Cn1cccn1)=N/OCC(=O)N[*:1]
Cc1ccc(NC(=O)CO/N=C(/N)Cn2cccn2)cc1 c1cnn(c1)C[*:1] Cc1ccc(cc1)NC(=O)CO/N=C(/N)[*:1]
C[NH2+][C@H]1CCC[C@H](Oc2ccc(CCOC)cc2)C1 COC[*:1] C[NH2+][C@H]1CCC[C@@H](C1)Oc1ccc(cc1)C[*:1]
C[NH2+][C@H]1CCC[C@H](Oc2ccc(CCOC)cc2)C1 COCC[*:1] C[NH2+][C@H]1CCC[C@@H](C1)Oc1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)n2nnc3ccccc32)c2ccccc12 CCO[*:1] O=S(=O)(c1ccc(c2ccccc12)[*:1])n1nnc2ccccc21
NC(=O)Nc1ccc(/C=C/c2ccnc3ccccc23)cc1 NC(=O)N[*:1] C(=C/c1ccnc2ccccc12)\c1ccc(cc1)[*:1]
COCc1noc(CCNC(=O)c2ccc(C)c(N3CCNC3=O)c2)n1 O=C1NCCN1[*:1] COCc1noc(CCNC(=O)c2ccc(C)c(c2)[*:1])n1
COCc1noc(CCNC(=O)c2ccc(C)c(N3CCNC3=O)c2)n1 COCc1noc(n1)[*:1] Cc1ccc(cc1N1CCNC1=O)C(=O)NCC[*:1]
COCc1noc(CCNC(=O)c2ccc(C)c(N3CCNC3=O)c2)n1 COC[*:1] Cc1ccc(cc1N1CCNC1=O)C(=O)NCCc1nc(no1)[*:1]
Cc1cccc2c(=O)n(CCC(=O)NCC(=O)OC3CCCCC3)cnc12 C1CCC(CC1)[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)NCC(=O)O[*:1]
Cc1cccc2c(=O)n(CCC(=O)NCC(=O)OC3CCCCC3)cnc12 O=C(OC1CCCCC1)[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)NC[*:1]
CNC(=O)C1CCN(C(=O)/C=C\c2cc(C)c(C)cc2C)CC1 CNC(=O)[*:1] Cc1cc(C)c(/C=C\C(=O)N2CCC(CC2)[*:1])cc1C
O=C(N[C@H]1CCC[C@H](C2CC2)C1)c1ccccc1NCc1cccnc1 C1CC1[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])c1ccccc1NCc1cccnc1
O=C(N[C@H]1CCC[C@H](C2CC2)C1)c1ccccc1NCc1cccnc1 c1cncc(c1)[*:1] O=C(N[C@H]1CCC[C@@H](C1)C1CC1)c1ccccc1NC[*:1]
O=C(N[C@H]1CCC[C@H](C2CC2)C1)c1ccccc1NCc1cccnc1 c1cncc(c1)C[*:1] O=C(N[C@H]1CCC[C@@H](C1)C1CC1)c1ccccc1N[*:1]
O=C(N[C@H]1CCC[C@H](C2CC2)C1)c1ccccc1NCc1cccnc1 c1cncc(c1)CN[*:1] O=C(N[C@H]1CCC[C@@H](C1)C1CC1)c1ccccc1[*:1]
CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2cccc(C(F)(F)F)c2)cc1C FC(F)(F)[*:1] CCS(=O)(=O)[N-]c1ccc(cc1C)NC(=O)NCc1cccc(c1)[*:1]
C=CCC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)C1CC1 C=CCC[*:1] O[C@@]1(CCc2ccccc21)C[NH2+][C@@H](C1CC1)[*:1]
C=CCC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)C1CC1 C1CC1[*:1] C=CCC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)[*:1]
C=CCC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)C1CC1 C=CC[*:1] O[C@@]1(CCc2ccccc21)C[NH2+][C@H](C[*:1])C1CC1
O=C([O-])c1cn(C2CN(C(=O)c3c[nH]nn3)C2)nn1 c1[nH]nnc1[*:1] O=C([O-])c1cn(nn1)C1CN(C1)C(=O)[*:1]
O=C([O-])c1cn(C2CN(C(=O)c3c[nH]nn3)C2)nn1 O=C([O-])[*:1] O=C(c1c[nH]nn1)N1CC(C1)n1cc(nn1)[*:1]
N#Cc1c(N)sc2c1CCN(C(=O)CCOCC(F)(F)F)C2 FC(F)(F)CO[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)CC[*:1]
N#Cc1c(N)sc2c1CCN(C(=O)CCOCC(F)(F)F)C2 FC(F)(F)C[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)CCO[*:1]
N#Cc1c(N)sc2c1CCN(C(=O)CCOCC(F)(F)F)C2 FC(F)(F)[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)CCOC[*:1]
N#Cc1c(N)sc2c1CCN(C(=O)CCOCC(F)(F)F)C2 FC(F)(F)COC[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)C[*:1]
Cn1cc(/C=C/C(=O)NCCNC(=O)c2ccco2)c2ccccc21 c1coc(c1)[*:1] Cn1cc(/C=C/C(=O)NCCNC(=O)[*:1])c2ccccc21
Cn1cc(/C=C/C(=O)NCCNC(=O)c2ccco2)c2ccccc21 O=C(N[*:1])c1ccco1 Cn1cc(/C=C/C(=O)NCC[*:1])c2ccccc21
O=C(COc1ccc(Cl)cc1Br)Nc1nccs1 c1csc(n1)[*:1] O=C(COc1ccc(Cl)cc1Br)N[*:1]
O=C(Cc1noc2ccccc12)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(Cc1noc2ccccc12)N1CCC(CC1)O[*:1]
O=C(Cc1noc2ccccc12)N1CCC(OCc2ccccc2F)CC1 c1ccc2c(noc2c1)[*:1] O=C(C[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(Cc1noc2ccccc12)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(Cc1noc2ccccc12)N1CCC(CC1)OC[*:1]
O=C(Cc1noc2ccccc12)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] O=C(Cc1noc2ccccc12)N1CCC(CC1)[*:1]
CCOc1ccc(CNC(=O)[C@@H](C)n2nc(CC)n3c(cc4occc43)c2=O)cc1 CCOc1ccc(cc1)[*:1] CCc1nn(c(=O)c2cc3occc3n12)[C@H](C)C(=O)NC[*:1]
CCOc1ccc(CNC(=O)[C@@H](C)n2nc(CC)n3c(cc4occc43)c2=O)cc1 CCO[*:1] CCc1nn(c(=O)c2cc3occc3n12)[C@H](C)C(=O)NCc1ccc(cc1)[*:1]
CCOc1ccc(CNC(=O)[C@@H](C)n2nc(CC)n3c(cc4occc43)c2=O)cc1 CCOc1ccc(cc1)C[*:1] CCc1nn(c(=O)c2cc3occc3n12)[C@H](C)C(=O)N[*:1]
CCCn1cc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)cn1 CCC[*:1] O=C(/C=C/c1ccc(cc1)N1CCCC1=O)Nc1cnn(c1)[*:1]
CCCn1cc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)cn1 CCCn1cc(cn1)[*:1] O=C(/C=C/c1ccc(cc1)N1CCCC1=O)N[*:1]
CCCn1cc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)cn1 O=C1CCCN1[*:1] CCCn1cc(cn1)NC(=O)/C=C/c1ccc(cc1)[*:1]
COc1ccc(-c2csc(CNC(=O)c3cc(C)no3)c2)cc1 Cc1cc(on1)[*:1] COc1ccc(cc1)-c1csc(c1)CNC(=O)[*:1]
COC(=O)[C@H]1ON2CCCC[C@H]2[C@]1(O)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@H]1ON2CCCC[C@H]2[C@@]1(O)[*:1]
COC(=O)[C@H]1ON2CCCC[C@H]2[C@]1(O)C(F)(F)F COC(=O)[*:1] O[C@@]1([C@@H]2CCCCN2O[C@@H]1[*:1])C(F)(F)F
C[C@@]1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N[C@H]3CCCc4ccccc43)c2)CCS(=O)(=O)C1 c1ccc2c(c1)CCC[C@@H]2[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
Brc1ccc(Nc2nc(-c3ccccn3)ns2)cc1 c1ccc(nc1)[*:1] Brc1ccc(cc1)Nc1nc(ns1)[*:1]
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ncc(Cl)cc1Cl O=[N+]([O-])[*:1] O=C(COC(=O)c1cc(ccc1Cl)[*:1])Nc1ncc(Cl)cc1Cl
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ncc(Cl)cc1Cl Clc1cnc(c(Cl)c1)[*:1] O=C(COC(=O)c1cc(ccc1Cl)[N+](=O)[O-])N[*:1]
O=C(Cc1ccccc1F)N1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 Fc1ccccc1C[*:1] O=C(N1CCN(CC1)Cc1c[nH]nc1-c1ccc(F)cc1)[*:1]
O=C(Cc1ccccc1F)N1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Cc1ccccc1F)N1CCN(CC1)Cc1c[nH]nc1[*:1]
O=C(Cc1ccccc1F)N1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 Fc1ccccc1[*:1] O=C(C[*:1])N1CCN(CC1)Cc1c[nH]nc1-c1ccc(F)cc1
CCC(CC)NC(=O)[C@H](C)O/N=C(/N)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CCC(CC)NC(=O)[C@H](C)O/N=C(/N)[*:1]
CCC(CC)NC(=O)[C@H](C)O/N=C(/N)[C@@H]1CCOC1 CCC(CC)[*:1] C[C@H](O/N=C(/N)[C@@H]1CCOC1)C(=O)N[*:1]
C[C@H](C(=O)N1CCOc2cc(F)ccc21)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](C(=O)N1CCOc2cc(F)ccc21)n1nnc(n1)[*:1]
Cc1cccc(COc2cccc(NC(=O)NCc3cnn(C)c3C)c2)c1 Cc1cccc(c1)CO[*:1] Cc1c(cnn1C)CNC(=O)Nc1cccc(c1)[*:1]
Cc1cccc(COc2cccc(NC(=O)NCc3cnn(C)c3C)c2)c1 Cc1c(cnn1C)[*:1] Cc1cccc(c1)COc1cccc(c1)NC(=O)NC[*:1]
Cc1cccc(COc2cccc(NC(=O)NCc3cnn(C)c3C)c2)c1 Cc1c(cnn1C)C[*:1] Cc1cccc(c1)COc1cccc(c1)NC(=O)N[*:1]
Cc1cccc(COc2cccc(NC(=O)NCc3cnn(C)c3C)c2)c1 Cc1cccc(c1)[*:1] Cc1c(cnn1C)CNC(=O)Nc1cccc(c1)OC[*:1]
Cc1cccc(COc2cccc(NC(=O)NCc3cnn(C)c3C)c2)c1 Cc1cccc(c1)C[*:1] Cc1c(cnn1C)CNC(=O)Nc1cccc(c1)O[*:1]
CCCC(=CC(=O)Nc1cc(C2CCOCC2)[nH]n1)CCC CCC[*:1] CCCC(=CC(=O)Nc1cc([nH]n1)C1CCOCC1)[*:1]
CCCC(=CC(=O)Nc1cc(C2CCOCC2)[nH]n1)CCC C1CC(CCO1)[*:1] CCCC(=CC(=O)Nc1cc([nH]n1)[*:1])CCC
CCN(C(=O)CCc1c(C)nc(C)[nH]c1=O)[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)CCc1c(C)nc(C)[nH]c1=O)[C@@H](C)[*:1]
Cc1nc(NC(=O)C(F)(F)F)ccc1Cl FC(F)(F)[*:1] Cc1nc(ccc1Cl)NC(=O)[*:1]
Cc1ccc(N2CCCN(C(=O)C[C@@H]3CCCO3)CC2)nn1 C1CO[C@@H](C1)C[*:1] Cc1ccc(nn1)N1CCCN(CC1)C(=O)[*:1]
Cc1ccc(N2CCCN(C(=O)C[C@@H]3CCCO3)CC2)nn1 C1CO[C@@H](C1)[*:1] Cc1ccc(nn1)N1CCCN(CC1)C(=O)C[*:1]
Cc1ccc(N2CCCN(C(=O)C[C@@H]3CCCO3)CC2)nn1 Cc1ccc(nn1)[*:1] O=C(C[C@@H]1CCCO1)N1CCCN(CC1)[*:1]
Cc1cnc(C(C)(C)NC(=O)NCc2cn3c(C)cccc3[nH+]2)s1 Cc1cnc(s1)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)NC(C)(C)[*:1]
C[NH+](Cc1ccc(Oc2cnccn2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] C[NH+](Cc1ccc(cc1)Oc1cnccn1)C1CCN(CC1)C(=O)O[*:1]
C[NH+](Cc1ccc(Oc2cnccn2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 c1cnc(cn1)[*:1] C[NH+](Cc1ccc(cc1)O[*:1])C1CCN(CC1)C(=O)OC(C)(C)C
C[NH+](Cc1ccc(Oc2cnccn2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 c1cnc(cn1)O[*:1] C[NH+](Cc1ccc(cc1)[*:1])C1CCN(CC1)C(=O)OC(C)(C)C
CC(C)C[C@@H](CNc1ccccc1C(N)=O)C(=O)[O-] CC(C)[*:1] NC(=O)c1ccccc1NC[C@H](C[*:1])C(=O)[O-]
CC(C)C[C@@H](CNc1ccccc1C(N)=O)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](CNc1ccccc1C(N)=O)[*:1]
CC(C)C[C@@H](CNc1ccccc1C(N)=O)C(=O)[O-] NC(=O)[*:1] CC(C)C[C@@H](CNc1ccccc1[*:1])C(=O)[O-]
CC(C)C[C@@H](CNc1ccccc1C(N)=O)C(=O)[O-] CC(C)C[*:1] NC(=O)c1ccccc1NC[C@@H](C(=O)[O-])[*:1]
CCOCc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1C CCO[*:1] Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1C[*:1]
CCOCc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1C CCOC[*:1] Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1[*:1]
CCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 CCC[*:1] COc1ccccc1NS(=O)(=O)c1cc(ccc1C)NC(=O)[*:1]
CCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 COc1ccccc1[*:1] CCCC(=O)Nc1ccc(C)c(c1)S(=O)(=O)N[*:1]
CCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 CCCC(=O)N[*:1] COc1ccccc1NS(=O)(=O)c1cc(ccc1C)[*:1]
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCC(=O)N1CCCC1 Clc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NCCC(=O)N1CCCC1)[*:1]
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 Cc1nc(sc1C(=O)NC[*:1])-c1ccc(Cl)cc1
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1nc(sc1C(=O)NCC[*:1])-c1ccc(Cl)cc1
C[C@@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 FC(F)(F)[*:1] C[C@@H]1C[C@@H](CCO1)CNc1ccc(cc1[*:1])[N+](=O)[O-]
C[C@@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 O=[N+]([O-])[*:1] C[C@@H]1C[C@@H](CCO1)CNc1ccc(cc1C(F)(F)F)[*:1]
Cc1nc(-c2cccc(-c3noc(/C=C/c4ccccc4)n3)c2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)-c1cccc(c1)-c1noc(C=C[*:1])n1
Cc1nc(-c2cccc(-c3noc(/C=C/c4ccccc4)n3)c2)cs1 Cc1nc(cs1)[*:1] C(=C/c1nc(no1)-c1cccc(c1)[*:1])\c1ccccc1
Cc1nc(-c2cccc(-c3noc(/C=C/c4ccccc4)n3)c2)cs1 C(=C[*:1])c1ccccc1 Cc1nc(cs1)-c1cccc(c1)-c1noc(n1)[*:1]
Cc1cccc(SCC(=O)N(C)CC(=O)NC2CC2)c1N O=C(C[*:1])NC1CC1 Cc1cccc(SCC(=O)N(C)[*:1])c1N
Cc1cccc(SCC(=O)N(C)CC(=O)NC2CC2)c1N O=C(NC1CC1)[*:1] Cc1cccc(SCC(=O)N(C)C[*:1])c1N
Cc1cccc(SCC(=O)N(C)CC(=O)NC2CC2)c1N C1CC1[*:1] Cc1cccc(SCC(=O)N(C)CC(=O)N[*:1])c1N
Cc1c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cnn1C Cc1c(cnn1C)[*:1] C[C@@H](NC(=O)c1ccc(cc1)NS(C)(=O)=O)[*:1]
Cc1c([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cnn1C CS(=O)(=O)N[*:1] Cc1c(cnn1C)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
CCn1c(C(=O)NCc2ccccc2C)cc2sccc21 Cc1ccccc1[*:1] CCn1c(cc2sccc21)C(=O)NC[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3C[C@@H](C)OC[C@@H]3C)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] C[C@H]1CO[C@H](C)CN1C(=O)[C@H]1CCC(=O)N(C1)[*:1]
O=C(c1csc(C#CCO)c1)N1CC[C@@H]2CCCC[C@@H]2C1 OCC#C[*:1] O=C(c1csc(c1)[*:1])N1CC[C@@H]2CCCC[C@@H]2C1
COc1ccccc1CN(C(=O)c1cnc(Nc2ccccc2)nc1)C1CC1 COc1ccccc1C[*:1] O=C(c1cnc(nc1)Nc1ccccc1)N(C1CC1)[*:1]
COc1ccccc1CN(C(=O)c1cnc(Nc2ccccc2)nc1)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)c1cnc(nc1)Nc1ccccc1)[*:1]
COc1ccccc1CN(C(=O)c1cnc(Nc2ccccc2)nc1)C1CC1 COc1ccccc1[*:1] O=C(c1cnc(nc1)Nc1ccccc1)N(C[*:1])C1CC1
COc1ccccc1CN(C(=O)c1cnc(Nc2ccccc2)nc1)C1CC1 c1ccc(cc1)[*:1] COc1ccccc1CN(C(=O)c1cnc(nc1)N[*:1])C1CC1
COc1ccccc1CN(C(=O)c1cnc(Nc2ccccc2)nc1)C1CC1 c1ccc(cc1)N[*:1] COc1ccccc1CN(C(=O)c1cnc(nc1)[*:1])C1CC1
COc1ccc([C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](O)C[NH+]1CCN(CC1)[*:1]
C#CCN(C(=O)Nc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(Nc1cccc2ccccc12)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)n1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc2c1=O CC(C)(C)[*:1] CC(C)n1nc(C(=O)N[C@H](C(N)=O)[*:1])c2ccccc2c1=O
CC(C)n1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc2c1=O CC(C)[*:1] CC(C)(C)[C@H](NC(=O)c1nn(c(=O)c2ccccc12)[*:1])C(N)=O
CC(C)n1nc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc2c1=O NC(=O)[*:1] CC(C)n1nc(C(=O)N[C@H](C(C)(C)C)[*:1])c2ccccc2c1=O
O=C(CSc1nc2ccccc2s1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 c1coc(c1)[*:1] O=C(CSc1nc2ccccc2s1)NC[C@@H]([NH+]1CCCCC1)[*:1]
O=C(CSc1nc2ccccc2s1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 c1ccc2sc(nc2c1)[*:1] O=C(CS[*:1])NC[C@@H](c1ccco1)[NH+]1CCCCC1
Cc1sc2nc(-c3cccnc3)nc(N(C)CC(=O)N(C)C)c2c1C c1cncc(c1)[*:1] Cc1sc2nc(nc(c2c1C)N(C)CC(=O)N(C)C)[*:1]
Cc1sc2nc(-c3cccnc3)nc(N(C)CC(=O)N(C)C)c2c1C CN(C)C(=O)C[*:1] Cc1sc2nc(nc(c2c1C)N(C)[*:1])-c1cccnc1
Cc1sc2nc(-c3cccnc3)nc(N(C)CC(=O)N(C)C)c2c1C CN(C)C(=O)CN(C)[*:1] Cc1sc2nc(nc(c2c1C)[*:1])-c1cccnc1
Cc1sc2nc(-c3cccnc3)nc(N(C)CC(=O)N(C)C)c2c1C CN(C)C(=O)[*:1] Cc1sc2nc(nc(c2c1C)N(C)C[*:1])-c1cccnc1
Cc1nn(-c2ccccc2F)c2ncc3c(c12)C(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)C3=O Fc1ccccc1[*:1] Cc1nn(c2ncc3C(=O)N(C(=O)c3c12)c1ccc(Cl)c(c1)C(F)(F)F)[*:1]
Cc1nn(-c2ccccc2F)c2ncc3c(c12)C(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)C3=O FC(F)(F)[*:1] Cc1nn(-c2ccccc2F)c2ncc3C(=O)N(C(=O)c3c12)c1ccc(Cl)c(c1)[*:1]
Cc1nn(-c2ccccc2F)c2ncc3c(c12)C(=O)N(c1ccc(Cl)c(C(F)(F)F)c1)C3=O FC(F)(F)c1cc(ccc1Cl)[*:1] Cc1nn(-c2ccccc2F)c2ncc3C(=O)N(C(=O)c3c12)[*:1]
COc1cccc(-c2cncc(C3CC[NH+](C4CCCCC4)CC3)n2)c1 COc1cccc(c1)[*:1] c1ncc(nc1C1CC[NH+](CC1)C1CCCCC1)[*:1]
COc1cccc(-c2cncc(C3CC[NH+](C4CCCCC4)CC3)n2)c1 C1CCC(CC1)[*:1] COc1cccc(c1)-c1cncc(n1)C1CC[NH+](CC1)[*:1]
Cc1ccc([C@H](C)NC(=O)CS(=O)(=O)[C@@H](C)[C@@H](C)O)cc1C C[C@@H](O)[*:1] Cc1ccc(cc1C)[C@H](C)NC(=O)CS(=O)(=O)[C@@H](C)[*:1]
CCC[NH2+]Cc1cnc(-c2ccc(CC(C)C)cc2)s1 CCC[*:1] CC(C)Cc1ccc(cc1)-c1ncc(C[NH2+][*:1])s1
CCC[NH2+]Cc1cnc(-c2ccc(CC(C)C)cc2)s1 CC(C)[*:1] CCC[NH2+]Cc1cnc(s1)-c1ccc(cc1)C[*:1]
CCC[NH2+]Cc1cnc(-c2ccc(CC(C)C)cc2)s1 CC(C)C[*:1] CCC[NH2+]Cc1cnc(s1)-c1ccc(cc1)[*:1]
CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 C(CN1CCOCC1)C[*:1] CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 C1CN(CCO1)CC[*:1] CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(C1)C[*:1]
CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 c1ccc2oc(C[*:1])nc2c1 CN(C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1)[*:1]
CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 C1CN(CCO1)C[*:1] CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(CC[*:1])C1
CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 c1ccc2oc(nc2c1)[*:1] CN(C[*:1])C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1
CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 C1CN(CCO1)[*:1] CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(CCC[*:1])C1
O=C(Nc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)C(=O)N(Cc1ccco1)C[*:1])c1ccco1
O=C(Nc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1)c1ccco1 c1coc(c1)C[*:1] O=C(Nc1ccc(cc1)C(=O)N(Cc1ccco1)[*:1])c1ccco1
O=C(Nc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(c1ccc(cc1)[*:1])N(Cc1ccco1)Cc1ccco1
O=C(Nc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1)c1ccco1 c1coc(c1)[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N(Cc1ccco1)Cc1ccco1
CSC[C@H](C)NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C CSC[*:1] C[C@H]1C[C@@H](CN1C(=O)N[C@@H](C)[*:1])c1ccc(F)cc1
CSC[C@H](C)NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C Fc1ccc(cc1)[*:1] CSC[C@H](C)NC(=O)N1C[C@@H](C[C@@H]1C)[*:1]
CSC[C@H](C)NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C CSC[C@H](C)[*:1] C[C@H]1C[C@@H](CN1C(=O)N[*:1])c1ccc(F)cc1
Cc1cscc1C(=O)[C@H]1CCOC2(CCCC2)C1 Cc1cscc1[*:1] O=C([C@H]1CCOC2(CCCC2)C1)[*:1]
CN(CCN1CCOCC1)C(=O)CCc1ncc(-c2ccccc2)o1 C1CN(CCO1)C[*:1] CN(C[*:1])C(=O)CCc1ncc(o1)-c1ccccc1
CN(CCN1CCOCC1)C(=O)CCc1ncc(-c2ccccc2)o1 C1CN(CCO1)CC[*:1] CN(C(=O)CCc1ncc(o1)-c1ccccc1)[*:1]
CN(CCN1CCOCC1)C(=O)CCc1ncc(-c2ccccc2)o1 C1CN(CCO1)[*:1] CN(CC[*:1])C(=O)CCc1ncc(o1)-c1ccccc1
CN(CCN1CCOCC1)C(=O)CCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] CN(CCN1CCOCC1)C(=O)CCc1ncc(o1)[*:1]
O=C(C[C@@H]1COc2ccccc2NC1=O)NCc1cccs1 c1csc(c1)[*:1] O=C(C[C@@H]1COc2ccccc2NC1=O)NC[*:1]
O=C(C[C@@H]1COc2ccccc2NC1=O)NCc1cccs1 c1csc(c1)C[*:1] O=C(C[C@@H]1COc2ccccc2NC1=O)N[*:1]
Cc1nc(CN2C(=O)[C@H](C)NC(=O)C23CCCC3)sc1C Cc1nc(sc1C)[*:1] C[C@@H]1NC(=O)C2(CCCC2)N(C[*:1])C1=O
Cc1c(C[NH2+][C@H](c2ccccc2)c2cc3ccccc3o2)cc(C#N)n1C c1ccc2oc(cc2c1)[*:1] Cc1c(cc(C#N)n1C)C[NH2+][C@H](c1ccccc1)[*:1]
Cc1c(C[NH2+][C@H](c2ccccc2)c2cc3ccccc3o2)cc(C#N)n1C c1ccc(cc1)[*:1] Cc1c(cc(C#N)n1C)C[NH2+][C@H](c1cc2ccccc2o1)[*:1]
CS(=O)(=O)c1cc(C(=O)NC2COC2)ccc1Cl CS(=O)(=O)[*:1] O=C(NC1COC1)c1ccc(Cl)c(c1)[*:1]
CS(=O)(=O)c1cc(C(=O)NC2COC2)ccc1Cl C1OCC1[*:1] CS(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
CCOC(=O)C(C)(C)N(C)Cc1c(N)ncnc1OC CCOC(=O)[*:1] COc1ncnc(N)c1CN(C)C(C)(C)[*:1]
C[C@H]1CN(C(=O)C(=O)NC[C@](C)(O)c2ccsc2)c2ccccc21 c1cc(cs1)[*:1] C[C@H]1CN(C(=O)C(=O)NC[C@](C)(O)[*:1])c2ccccc21
CCCCN1C(=O)c2ccc(C(=O)NCCn3cccc3)cc2C1=O c1ccn(c1)CC[*:1] CCCCN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
CCCCN1C(=O)c2ccc(C(=O)NCCn3cccc3)cc2C1=O CCCC[*:1] O=C(NCCn1cccc1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CCCCN1C(=O)c2ccc(C(=O)NCCn3cccc3)cc2C1=O c1ccn(c1)C[*:1] CCCCN1C(=O)c2ccc(cc2C1=O)C(=O)NC[*:1]
CCCCN1C(=O)c2ccc(C(=O)NCCn3cccc3)cc2C1=O CCC[*:1] O=C(NCCn1cccc1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
CCCCN1C(=O)c2ccc(C(=O)NCCn3cccc3)cc2C1=O c1ccn(c1)[*:1] CCCCN1C(=O)c2ccc(cc2C1=O)C(=O)NCC[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cncc(Br)c1 FC(F)(F)[*:1] O=C(Nc1cc(ccc1N1CCOCC1)[*:1])c1cncc(Br)c1
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cncc(Br)c1 C1CN(CCO1)[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)c1cncc(Br)c1
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C(Nc1cc(ccc1N1CCOCC1)C(F)(F)F)[*:1]
CNC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)s1 CNC(=O)[*:1] COC(=O)c1ccc(s1)C(=O)Nc1ccccc1[*:1]
CNC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)s1 COC(=O)[*:1] CNC(=O)c1ccccc1NC(=O)c1ccc(s1)[*:1]
Cc1nc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)CC(C)C)CC2)cn1C CC(C)C[*:1] Cc1nc(cn1C)S(=O)(=O)N1CCC(CC1)C(=O)O[C@H](C)[*:1]
Cc1nc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)CC(C)C)CC2)cn1C CC(C)[*:1] Cc1nc(cn1C)S(=O)(=O)N1CCC(CC1)C(=O)O[C@H](C)C[*:1]
Cc1nc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)CC(C)C)CC2)cn1C CC(C)C[C@@H](C)[*:1] Cc1nc(cn1C)S(=O)(=O)N1CCC(CC1)C(=O)O[*:1]
Cc1nc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)CC(C)C)CC2)cn1C Cc1nc(cn1C)[*:1] CC(C)C[C@@H](C)OC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)[C@@]1(CO)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 Oc1ccc(cc1)[*:1] CCOC(=O)[C@@]1(CO)N[C@H]([C@H]2C(=O)N(C)C(=O)[C@@H]21)[*:1]
CCOC(=O)[C@@]1(CO)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 CCOC(=O)[*:1] CN1C(=O)[C@@H]2[C@H](N[C@](CO)([C@H]2C1=O)[*:1])c1ccc(O)cc1
O=C(CCCN1C(=O)CCC1=O)N1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CCCN1C(=O)CCC1=O)N1CCN(CC1)C(=O)[*:1]
O=C(CCCN1C(=O)CCC1=O)N1CCN(C(=O)c2ccccc2F)CC1 O=C1CCC(=O)N1C[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)c1ccccc1F
O=C(CCCN1C(=O)CCC1=O)N1CCN(C(=O)c2ccccc2F)CC1 O=C1CCC(=O)N1CC[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccccc1F
O=C(CCCN1C(=O)CCC1=O)N1CCN(C(=O)c2ccccc2F)CC1 O=C1CCC(=O)N1[*:1] O=C(CCC[*:1])N1CCN(CC1)C(=O)c1ccccc1F
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2c(ccc3ccccc32)oc1=O O=[N+]([O-])[*:1] C/C(=N\NC(=O)c1ccc(cc1)[*:1])c1cc2c(ccc3ccccc32)oc1=O
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2c(ccc3ccccc32)oc1=O O=[N+]([O-])c1ccc(cc1)[*:1] C/C(=N\NC(=O)[*:1])c1cc2c(ccc3ccccc32)oc1=O
O=C(Nc1cn[nH]c1)c1ccc(SCc2ccccc2)cc1 c1n[nH]cc1[*:1] O=C(N[*:1])c1ccc(cc1)SCc1ccccc1
O=C(Nc1cn[nH]c1)c1ccc(SCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Nc1cn[nH]c1)c1ccc(cc1)SC[*:1]
O=C(Nc1cn[nH]c1)c1ccc(SCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(Nc1cn[nH]c1)c1ccc(cc1)S[*:1]
CC(C)[C@H]([NH3+])c1noc(Cc2ccc(F)c(F)c2)n1 CC(C)[*:1] [NH3+][C@H](c1noc(Cc2ccc(F)c(F)c2)n1)[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)CCOC COCC[C@H](C)[*:1] CCc1nn(C)c2c1[nH]c(=S)n2[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)CCOC COCC[*:1] CCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)CCOC COC[*:1] CCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)C[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(C(=O)N(C)C)ccc1F CN(C)C(=O)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(ccc1F)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(C(=O)N(C)C)ccc1F Cc1noc(C)c1[*:1] C[C@@H](NC(=O)Nc1cc(ccc1F)C(=O)N(C)C)[*:1]
Cc1cc(NCC(=O)Nc2ccccn2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])NCC(=O)Nc1ccccn1
Cc1cc(NCC(=O)Nc2ccccn2)ccc1[N+](=O)[O-] c1ccc(nc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])NCC(=O)N[*:1]
CC[C@@]1(C(=O)[O-])CCN(C(=O)N(C)CCc2cccs2)C1 c1csc(c1)CC[*:1] CC[C@]1(CCN(C1)C(=O)N(C)[*:1])C(=O)[O-]
CC[C@@]1(C(=O)[O-])CCN(C(=O)N(C)CCc2cccs2)C1 O=C([O-])[*:1] CC[C@]1(CCN(C1)C(=O)N(C)CCc1cccs1)[*:1]
CC[C@@]1(C(=O)[O-])CCN(C(=O)N(C)CCc2cccs2)C1 c1csc(c1)C[*:1] CC[C@]1(CCN(C1)C(=O)N(C)C[*:1])C(=O)[O-]
CC[C@@]1(C(=O)[O-])CCN(C(=O)N(C)CCc2cccs2)C1 c1csc(c1)[*:1] CC[C@]1(CCN(C1)C(=O)N(C)CC[*:1])C(=O)[O-]
CN(CCc1cccs1)C(=O)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] CN(CCc1cccs1)C(=O)c1cccc(c1)[*:1]
CN(CCc1cccs1)C(=O)c1cccc(-n2ccnc2)c1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)c1cccc(c1)-n1ccnc1
CN(CCc1cccs1)C(=O)c1cccc(-n2ccnc2)c1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)c1cccc(c1)-n1ccnc1
CN(CCc1cccs1)C(=O)c1cccc(-n2ccnc2)c1 c1csc(c1)CC[*:1] CN(C(=O)c1cccc(c1)-n1ccnc1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 FC(F)(F)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)O[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 FC(F)(F)O[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)CC1(CN2C(=O)CNC(=O)[C@@H]2C)CCCC1 CC(C)C[*:1] C[C@H]1C(=O)NCC(=O)N1CC1(CCCC1)[*:1]
CC(C)CC1(CN2C(=O)CNC(=O)[C@@H]2C)CCCC1 CC(C)[*:1] C[C@H]1C(=O)NCC(=O)N1CC1(CCCC1)C[*:1]
C[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@H]([NH2+]Cc1cccc(c1)-c1ccccn1)[*:1]
C[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1ccsc1 c1ccc(nc1)[*:1] C[C@H]([NH2+]Cc1cccc(c1)[*:1])c1ccsc1
O=C(CSc1nnnn1Cc1ccccc1)NC[C@H]1COc2ccccc2O1 c1ccc(cc1)[*:1] O=C(CSc1nnnn1C[*:1])NC[C@H]1COc2ccccc2O1
O=C(CSc1nnnn1Cc1ccccc1)NC[C@H]1COc2ccccc2O1 c1ccc(cc1)C[*:1] O=C(CSc1nnnn1[*:1])NC[C@H]1COc2ccccc2O1
COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(/C=C(/C#N)S(=O)(=O)[*:1])cc1
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 O=C([O-])[*:1] CC[NH2+][C@]1(CC[C@H](C1)N1CC[NH+](CC1)C(C)C)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 CC(C)[*:1] CC[NH2+][C@]1(CC[C@H](C1)N1CC[NH+](CC1)[*:1])C(=O)[O-]
CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCCc2cccs2)C1 c1csc(c1)[*:1] CCc1[nH+]ccn1[C@H]1CCCN(C1)C(=O)CCC[*:1]
CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCCc2cccs2)C1 c1csc(c1)CC[*:1] CCc1[nH+]ccn1[C@H]1CCCN(C1)C(=O)C[*:1]
CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCCc2cccs2)C1 c1csc(c1)C[*:1] CCc1[nH+]ccn1[C@H]1CCCN(C1)C(=O)CC[*:1]
C/C=C(/C)C(=O)NCCc1ccccc1 CC=C(C)[*:1] O=C(NCCc1ccccc1)[*:1]
Cc1ccc(-c2nc(COC(=O)[C@@H]3CC=CCC3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(OCc1noc(n1)[*:1])[C@@H]1CC=CCC1
Cc1cc(OC(=O)[C@@H](C)Cl)cc2c1C(=O)/C(=C/c1ccccc1)O2 C[C@@H](Cl)C(=O)O[*:1] Cc1cc(cc2O/C(=C\c3ccccc3)C(=O)c12)[*:1]
Cc1cc(OC(=O)[C@@H](C)Cl)cc2c1C(=O)/C(=C/c1ccccc1)O2 c1ccc(cc1)[*:1] Cc1cc(cc2OC(=C[*:1])C(=O)c12)OC(=O)[C@@H](C)Cl
CCc1nsc(N[C@@H](CC)CS(=O)(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] CCc1nsc(n1)N[C@@H](CC)CS(=O)(=O)[*:1]
CCc1nsc(N[C@@H](CC)CS(=O)(=O)c2ccccc2)n1 CCc1nsc(n1)[*:1] CC[C@@H](CS(=O)(=O)c1ccccc1)N[*:1]
COc1ccc2cc(/C([O-])=C(/C#N)C(=O)N3CCCC3)c(C)nc2c1 O=C(N1CCCC1)[*:1] COc1ccc2cc(C([O-])=C(C#N)[*:1])c(C)nc2c1
C[NH2+][C@@]1(C(=O)[O-])CC[C@@H](OC2CCC2)C1 C1CC(C1)O[*:1] C[NH2+][C@]1(CC[C@@H](C1)[*:1])C(=O)[O-]
C[NH2+][C@@]1(C(=O)[O-])CC[C@@H](OC2CCC2)C1 C1CC(C1)[*:1] C[NH2+][C@]1(CC[C@H](C1)O[*:1])C(=O)[O-]
C[NH2+][C@@]1(C(=O)[O-])CC[C@@H](OC2CCC2)C1 O=C([O-])[*:1] C[NH2+][C@]1(CC[C@H](C1)OC1CCC1)[*:1]
N=C1NC(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)S1 Clc1cccc(c1)[*:1] N=C1NC(=O)/C(=C\c2ccc(cc2)OC[*:1])S1
O=C(NCC1CC1)c1ccc(S(=O)(=O)N2CCC3(CCO3)CC2)cc1 C1CC1C[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)N1CCC2(CCO2)CC1
O=C(NCC1CC1)c1ccc(S(=O)(=O)N2CCC3(CCO3)CC2)cc1 C1CC1[*:1] O=C(NC[*:1])c1ccc(cc1)S(=O)(=O)N1CCC2(CCO2)CC1
O=C(NCC1CC1)c1ccc(S(=O)(=O)N2CCC3(CCO3)CC2)cc1 O=C(NCC1CC1)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC2(CCO2)CC1
COc1ccc([C@H](C)N(C)C(=O)c2cc3ccccc3c(=O)[nH]2)cc1 COc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1cc2ccccc2c(=O)[nH]1)[*:1]
CSc1nc(OCc2cccc(F)c2)c2ccccc2n1 Fc1cccc(c1)[*:1] CSc1nc(OC[*:1])c2ccccc2n1
O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]1[*:1]
O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]1c1cccc(Cl)c1 O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])N[C@@H]1C[C@H]1c1cccc(Cl)c1
CC(=O)OC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 c1cnc(cn1)[*:1] CC(=O)OC1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
CC(=O)OC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 c1cnc(cn1)O[*:1] CC(=O)OC1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(=O)OC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 CC(=O)O[*:1] c1cnc(cn1)Oc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CCn1cc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cn1 CCn1cc(cn1)[*:1] O=C(NCc1ccnc(c1)OCC(F)(F)F)[*:1]
CCn1cc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cn1 FC(F)(F)[*:1] CCn1cc(cn1)C(=O)NCc1ccnc(c1)OC[*:1]
CCn1cc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cn1 FC(F)(F)CO[*:1] CCn1cc(cn1)C(=O)NCc1ccnc(c1)[*:1]
CCn1cc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cn1 FC(F)(F)C[*:1] CCn1cc(cn1)C(=O)NCc1ccnc(c1)O[*:1]
C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C(=O)[C@H](C)[C@@H]([NH2+][C@H]1c1ccccc1)[*:1]
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)n2)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1noc(n1)N1CCC[C@H](C1)C(=O)N[*:1]
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)n2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc(n1)N1CCC[C@H](C1)C(=O)NC[*:1]
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)n2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(C1)c1nc(no1)[*:1]
COc1cccc(-n2c(=O)c3ccccc3n3c(SCn4nnc5ccccc5c4=O)nnc23)c1 COc1cccc(c1)[*:1] O=c1c2ccccc2nnn1CSc1nnc2n(c(=O)c3ccccc3n12)[*:1]
COc1cccc(-n2c(=O)c3ccccc3n3c(SCn4nnc5ccccc5c4=O)nnc23)c1 O=c1c2ccccc2nnn1[*:1] COc1cccc(c1)-n1c(=O)c2ccccc2n2c(nnc12)SC[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(cc1)NC(=O)[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(cc1)[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(NC(=O)C2CC2)cc1 CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)NCc1ccc(cc1)NC(=O)C1CC1
Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cnn1C C1CN(CCO1)[*:1] Cc1c(cnn1C)C(=O)NC[C@@H](c1cccs1)[*:1]
Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cnn1C Cc1c(cnn1C)[*:1] O=C(NC[C@@H](c1cccs1)N1CCOCC1)[*:1]
Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cnn1C c1csc(c1)[*:1] Cc1c(cnn1C)C(=O)NC[C@@H](N1CCOCC1)[*:1]
C[C@H]1CCN(C(=O)c2ccccc2CSc2ncn[nH]2)C[C@H]1O c1n[nH]c(n1)SC[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1ccccc1[*:1]
C[C@H]1CCN(C(=O)c2ccccc2CSc2ncn[nH]2)C[C@H]1O c1n[nH]c(n1)S[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1ccccc1C[*:1]
C[C@H]1CCN(C(=O)c2ccccc2CSc2ncn[nH]2)C[C@H]1O c1n[nH]c(n1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1ccccc1CS[*:1]
O=C(NCC(=O)N1CCC[C@@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(CNC(=O)[*:1])N1CCC[C@@H]1c1ccncc1
O=C(NCC(=O)N1CCC[C@@H]1c1ccncc1)c1ccc(Cl)c(Cl)c1 c1cc(ccn1)[*:1] O=C(NCC(=O)N1CCC[C@H]1[*:1])c1ccc(Cl)c(Cl)c1
O=C1[C@@H](Sc2nc3ccccc3[nH]2)CCN1c1ccccc1Cl Clc1ccccc1[*:1] O=C1[C@H](CCN1[*:1])Sc1nc2ccccc2[nH]1
C[C@H](Cn1cccn1)OC(=O)C(C)(C)c1ccc(F)cc1 c1cnn(c1)[*:1] C[C@H](C[*:1])OC(=O)C(C)(C)c1ccc(F)cc1
C[C@H](Cn1cccn1)OC(=O)C(C)(C)c1ccc(F)cc1 c1cnn(c1)C[*:1] C[C@H](OC(=O)C(C)(C)c1ccc(F)cc1)[*:1]
C[C@H](Cn1cccn1)OC(=O)C(C)(C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Cn1cccn1)OC(=O)C(C)(C)[*:1]
CCc1ccccc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 CCc1ccccc1[*:1] O=C(c1ccccc1)N1CCc2ccc(cc21)CNS(=O)(=O)[*:1]
CCc1ccccc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 c1ccc(cc1)[*:1] CCc1ccccc1S(=O)(=O)NCc1ccc2CCN(C(=O)[*:1])c2c1
Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)C2CCC2)c(C)s1 C1CC(C1)[*:1] Cc1cc(c(C)s1)S(=O)(=O)NCC[NH2+][C@@H](C)[*:1]
COc1ccc(N2C[C@H](C(=O)N[C@@H](c3cccs3)C3CCCC3)CC2=O)cc1 c1csc(c1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[C@@H](C1CCCC1)[*:1]
COc1ccc(N2C[C@H](C(=O)N[C@@H](c3cccs3)C3CCCC3)CC2=O)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[C@@H](c1cccs1)[*:1]
COc1ccc(N2C[C@H](C(=O)N[C@@H](c3cccs3)C3CCCC3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H](c1cccs1)C1CCCC1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCNc1cnccn1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 c1cnc(cn1)NC[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
O=C(NCCNc1cnccn1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 c1cnc(cn1)N[*:1] O=C(NCC[*:1])[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
O=C(NCCNc1cnccn1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(NCCNc1cnccn1)[C@@H]1CCCN1C(=O)[*:1]
O=C(NCCNc1cnccn1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 c1cnc(cn1)[*:1] O=C(NCCN[*:1])[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
O=C(NCCNc1cnccn1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 c1cnc(cn1)NCC[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
CN(Cc1ccco1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 N#Cc1ccc(nc1)[*:1] CN(Cc1ccco1)C(=O)NC1CCN(CC1)[*:1]
CN(Cc1ccco1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 c1coc(c1)C[*:1] CN(C(=O)NC1CCN(CC1)c1ccc(C#N)cn1)[*:1]
CN(Cc1ccco1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 c1coc(c1)[*:1] CN(C[*:1])C(=O)NC1CCN(CC1)c1ccc(C#N)cn1
COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC O=[N+]([O-])[*:1] COc1ccc(/C=C/C(=O)Nc2ccc(cc2Cl)[*:1])cc1OC
CCc1nc2cc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)ccc2o1 c1ccc(cc1)[*:1] CCc1nc2cc(ccc2o1)NC(=O)C1CCC(=O)N(N=1)[*:1]
c1cn(C2CCN(Cc3cnc(-c4ccsc4)s3)CC2)c[nH+]1 c1cc(cs1)[*:1] c1cn(c[nH+]1)C1CCN(CC1)Cc1cnc(s1)[*:1]
N#Cc1c(CCc2ccccc2)cc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] N#Cc1c(cc([nH]c1=O)[*:1])CCc1ccccc1
N#Cc1c(CCc2ccccc2)cc(-c2ccccc2)[nH]c1=O c1ccc(cc1)C[*:1] N#Cc1c(cc([nH]c1=O)-c1ccccc1)C[*:1]
N#Cc1c(CCc2ccccc2)cc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] N#Cc1c(cc([nH]c1=O)-c1ccccc1)CC[*:1]
CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C CC[C@H](C)[*:1] C[C@H]1[C@@H](CCN1C(=O)[C@@H]([NH3+])[*:1])C(=O)[O-]
CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([C@@H]1C)[*:1]
O=C(c1ccccc1)[C@@H]1CN(c2ccccc2)C[C@H]1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(c1ccccc1)[C@@H]1CN(C[C@H]1[*:1])c1ccccc1
O=C(c1ccccc1)[C@@H]1CN(c2ccccc2)C[C@H]1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccccc1)[C@@H]1CN(C[C@H]1C(=O)c1ccccc1)[*:1]
O=C(c1ccccc1)[C@@H]1CN(c2ccccc2)C[C@H]1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccccc1)[C@@H]1CN(C[C@H]1C(=O)[*:1])c1ccccc1
Cc1nonc1NC(=O)c1cccc(C(F)(F)F)c1 Cc1nonc1[*:1] O=C(N[*:1])c1cccc(c1)C(F)(F)F
Cc1nonc1NC(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1nonc1NC(=O)c1cccc(c1)[*:1]
CCCCC(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 CCCC[*:1] COc1ccc(cc1OC)N1C[C@H](CC1=O)NC(=O)[*:1]
CCCCC(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 CCC[*:1] COc1ccc(cc1OC)N1C[C@H](CC1=O)NC(=O)C[*:1]
CCCCC(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 CCCCC(=O)N[*:1] COc1ccc(cc1OC)N1C[C@H](CC1=O)[*:1]
O=C(CCc1ccccc1O)Nc1ccc(C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCc1ccccc1O)Nc1ccc(cc1)C(=O)NC[*:1]
O=C(CCc1ccccc1O)Nc1ccc(C(=O)NCc2ccccc2)cc1 Oc1ccccc1CC[*:1] O=C(NCc1ccccc1)c1ccc(cc1)NC(=O)[*:1]
O=C(CCc1ccccc1O)Nc1ccc(C(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(CCc1ccccc1O)Nc1ccc(cc1)C(=O)N[*:1]
O=C(CCc1ccccc1O)Nc1ccc(C(=O)NCc2ccccc2)cc1 Oc1ccccc1[*:1] O=C(CC[*:1])Nc1ccc(cc1)C(=O)NCc1ccccc1
O=C(CCc1ccccc1O)Nc1ccc(C(=O)NCc2ccccc2)cc1 Oc1ccccc1C[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)NCc1ccccc1
O=C(CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)Nc1ccc(F)c(Cl)c1 c1coc(c1)[*:1] O=C(CNc1ccc(cc1C(F)(F)F)NC(=O)[*:1])Nc1ccc(F)c(Cl)c1
O=C(CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)Nc1ccc(F)c(Cl)c1 FC(F)(F)[*:1] O=C(CNc1ccc(cc1[*:1])NC(=O)c1ccco1)Nc1ccc(F)c(Cl)c1
O=C(CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)Nc1ccc(F)c(Cl)c1 O=C(N[*:1])c1ccco1 O=C(CNc1ccc(cc1C(F)(F)F)[*:1])Nc1ccc(F)c(Cl)c1
O=C(CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(CNc1ccc(cc1C(F)(F)F)NC(=O)c1ccco1)N[*:1]
[NH3+]Cc1cc(F)c(OCCSc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] [NH3+]Cc1cc(F)c(OCCS[*:1])c(F)c1
O=C(NC[C@@H]1CCCO1)NNC(=O)c1cc(-c2ccco2)nc2ccccc12 c1coc(c1)[*:1] O=C(NC[C@@H]1CCCO1)NNC(=O)c1cc(nc2ccccc12)[*:1]
[NH3+][C@@H](c1ccccc1)[C@H](SC[C@H](O)CO)c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@@H]([C@H](SC[C@H](O)CO)c1ccccc1)[*:1]
[NH3+][C@@H](c1ccccc1)[C@H](SC[C@H](O)CO)c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@@H](c1ccccc1)[C@H](SC[C@H](O)CO)[*:1]
[NH3+][C@@H](c1ccccc1)[C@H](SC[C@H](O)CO)c1ccccc1 OC[C@@H](O)[*:1] [NH3+][C@@H](c1ccccc1)[C@H](SC[*:1])c1ccccc1
[NH3+][C@@H](c1ccccc1)[C@H](SC[C@H](O)CO)c1ccccc1 OC[C@@H](O)C[*:1] [NH3+][C@@H](c1ccccc1)[C@H](S[*:1])c1ccccc1
CC[C@@H](NC(=O)NCc1cc(C(=O)OC)c(C)o1)c1ccncc1 COC(=O)[*:1] CC[C@@H](NC(=O)NCc1cc(c(C)o1)[*:1])c1ccncc1
CC[C@@H](NC(=O)NCc1cc(C(=O)OC)c(C)o1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)NCc1cc(C(=O)OC)c(C)o1)[*:1]
Cc1cc(C[NH+]2CCC(c3cnn(C)c3)CC2)c(C)n1CC(C)C CC(C)[*:1] Cc1cc(C[NH+]2CCC(CC2)c2cnn(C)c2)c(C)n1C[*:1]
Cc1cc(C[NH+]2CCC(c3cnn(C)c3)CC2)c(C)n1CC(C)C CC(C)C[*:1] Cc1cc(C[NH+]2CCC(CC2)c2cnn(C)c2)c(C)n1[*:1]
Cc1cc(C[NH+]2CCC(c3cnn(C)c3)CC2)c(C)n1CC(C)C Cn1cc(cn1)[*:1] Cc1cc(C[NH+]2CCC(CC2)[*:1])c(C)n1CC(C)C
Cn1cc(C(N)=O)c(NC(=O)c2cn(-c3ccccc3Cl)nn2)n1 NC(=O)[*:1] Cn1cc(c(n1)NC(=O)c1cn(nn1)-c1ccccc1Cl)[*:1]
Cn1cc(C(N)=O)c(NC(=O)c2cn(-c3ccccc3Cl)nn2)n1 Clc1ccccc1[*:1] Cn1cc(C(N)=O)c(n1)NC(=O)c1cn(nn1)[*:1]
Cc1noc(C)c1CC(=O)NCc1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] Cc1noc(C)c1CC(=O)NCc1ccc(cc1)NC(=O)[*:1]
Cc1noc(C)c1CC(=O)NCc1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] Cc1noc(C)c1CC(=O)NCc1ccc(cc1)[*:1]
Cc1noc(C)c1CC(=O)NCc1ccc(NC(=O)C(C)C)cc1 Cc1noc(C)c1[*:1] CC(C)C(=O)Nc1ccc(cc1)CNC(=O)C[*:1]
Cc1noc(C)c1CC(=O)NCc1ccc(NC(=O)C(C)C)cc1 Cc1noc(C)c1C[*:1] CC(C)C(=O)Nc1ccc(cc1)CNC(=O)[*:1]
O=C(CCc1ccccc1)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 c1ccc(cc1)C[*:1] O=C(C[*:1])Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-]
O=C(CCc1ccccc1)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-]
O=C(CCc1ccccc1)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 O=C([O-])[*:1] O=C(CCc1ccccc1)Nc1cc(cc(c1)[*:1])C(=O)[O-]
Cn1c[nH+]c2c1CCN(c1nn3cc(C(C)(C)C)nc3s1)C2 CC(C)(C)[*:1] Cn1c[nH+]c2CN(CCc21)c1nn2cc(nc2s1)[*:1]
COC(=O)Nc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 NC(=O)[*:1] COC(=O)Nc1ccc(cc1)C[NH2+][C@@H](c1ccccc1)[*:1]
COC(=O)Nc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 COC(=O)N[*:1] NC(=O)[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1
COC(=O)Nc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)Nc1ccc(cc1)C[NH2+][C@@H](C(N)=O)[*:1]
COc1ccc(/C=C/c2ccnc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1 COc1ccc(cc1)[*:1] Nc1ccc(cc1)S(=O)(=O)Nc1nccc(C=C[*:1])n1
COc1ccc(/C=C/c2ccnc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1 Nc1ccc(cc1)[*:1] COc1ccc(/C=C/c2ccnc(n2)NS(=O)(=O)[*:1])cc1
C=CC(=O)NCCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 Cc1nc(no1)[*:1] C=CC(=O)NCCC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
C=CC(=O)NCCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 C=CC(=O)N[*:1] Cc1nc(no1)[C@H](NC(=O)CC[*:1])c1ccc(Cl)cc1
C=CC(=O)NCCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 Clc1ccc(cc1)[*:1] C=CC(=O)NCCC(=O)N[C@H](c1noc(C)n1)[*:1]
C=CC(=O)NCCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 C=CC(=O)NC[*:1] Cc1nc(no1)[C@H](NC(=O)C[*:1])c1ccc(Cl)cc1
C=CC(=O)NCCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 C=CC(=O)NCC[*:1] Cc1nc(no1)[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
COc1cccc([C@H]2CCCN2C(=O)Nc2cnccc2C)c1 Cc1ccncc1[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)N[*:1]
CCc1cccc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 O=C([O-])C[*:1] CCc1cccc(c1)NC(=O)N1CCO[C@@H](C1)[*:1]
CCc1cccc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 O=C([O-])[*:1] CCc1cccc(c1)NC(=O)N1CCO[C@H](C1)C[*:1]
CC[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC[NH+]1CCN(CC1)c1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)[*:1]
CC[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2cccc(Cl)c2)CC1 O=S(=O)(c1cccc(Cl)c1)[*:1] CC[NH+]1CCN(CC1)c1nc2ccccc2nc1[C@@H](C#N)[*:1]
Cc1cccc(O[C@H](C)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)N(C)Cc1nc(cs1)C(F)(F)F)[*:1]
Cc1cccc(O[C@H](C)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N(C)Cc1nc(cs1)C(F)(F)F
Cc1cccc(O[C@H](C)C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1 FC(F)(F)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N(C)Cc1nc(cs1)[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)NCC[NH+](C)C CCO[*:1] C[NH+](C)CCNS(=O)(=O)c1cc(Br)ccc1[*:1]
CN(C)S(=O)(=O)c1cccc(Cn2ccnc2S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CN(C)S(=O)(=O)c1cccc(c1)Cn1ccnc1[*:1]
CN(C)S(=O)(=O)c1cccc(Cn2ccnc2S(C)(=O)=O)c1 CN(C)S(=O)(=O)[*:1] CS(=O)(=O)c1nccn1Cc1cccc(c1)[*:1]
CNC(=O)c1ccc(NC[C@H](O)COC)[nH+]n1 COC[C@@H](O)[*:1] CNC(=O)c1ccc(NC[*:1])[nH+]n1
CNC(=O)c1ccc(NC[C@H](O)COC)[nH+]n1 CNC(=O)[*:1] COC[C@@H](O)CNc1ccc(n[nH+]1)[*:1]
CNC(=O)c1ccc(NC[C@H](O)COC)[nH+]n1 COC[*:1] CNC(=O)c1ccc(NC[C@H](O)[*:1])[nH+]n1
Cc1cc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(N[*:1])c1cccn(Cc2ccc(cc2)C(F)(F)F)c1=O
Cc1cc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)ccc1Br FC(F)(F)[*:1] Cc1cc(ccc1Br)NC(=O)c1cccn(Cc2ccc(cc2)[*:1])c1=O
CC(=O)N(c1ccccc1)c1nc(CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)cs1 CC(=O)N(c1ccccc1)[*:1] Cc1cc(c(C)o1)[C@]1(C)NC(=O)N(Cc2csc(n2)[*:1])C1=O
CC(=O)N(c1ccccc1)c1nc(CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)cs1 Cc1cc(c(C)o1)[*:1] CC(=O)N(c1ccccc1)c1nc(cs1)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CC(=O)N(c1ccccc1)c1nc(CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)CN1C(=O)N[C@](C)(C1=O)c1cc(C)oc1C)[*:1]
CC(C)N(C(=O)c1cc(NC(=O)c2cccc3ccccc23)c(=O)n(C)c1)C(C)C c1ccc2c(cccc2c1)[*:1] CC(C)N(C(=O)c1cc(NC(=O)[*:1])c(=O)n(C)c1)C(C)C
CC(C)N(C(=O)c1cc(NC(=O)c2cccc3ccccc23)c(=O)n(C)c1)C(C)C CC(C)N(C(=O)[*:1])C(C)C Cn1cc(cc(NC(=O)c2cccc3ccccc23)c1=O)[*:1]
CC(C)N(C(=O)c1cc(NC(=O)c2cccc3ccccc23)c(=O)n(C)c1)C(C)C CC(C)[*:1] CC(C)N(C(=O)c1cc(NC(=O)c2cccc3ccccc23)c(=O)n(C)c1)[*:1]
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1SCC(F)(F)F FC(F)(F)CS[*:1] CCN(Cc1ccc2OCOc2c1)C(=O)Nc1ccccc1[*:1]
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1SCC(F)(F)F FC(F)(F)C[*:1] CCN(Cc1ccc2OCOc2c1)C(=O)Nc1ccccc1S[*:1]
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1SCC(F)(F)F c1cc2OCOc2cc1[*:1] CCN(C[*:1])C(=O)Nc1ccccc1SCC(F)(F)F
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1SCC(F)(F)F FC(F)(F)[*:1] CCN(Cc1ccc2OCOc2c1)C(=O)Nc1ccccc1SC[*:1]
CCn1nc(C)c(NC(=O)NCC(C)(C)Cc2ccccc2)c1C c1ccc(cc1)C[*:1] CCn1nc(C)c(NC(=O)NCC(C)(C)[*:1])c1C
CCn1nc(C)c(NC(=O)NCC(C)(C)Cc2ccccc2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)NCC(C)(C)C[*:1])c1C
O=C(N[C@@H]1CCCNC1=O)c1c(-n2cccc2)sc2c1CCCC2 c1ccn(c1)[*:1] O=C(N[C@@H]1CCCNC1=O)c1c(sc2CCCCc21)[*:1]
O=C(N[C@@H]1CCCNC1=O)c1c(-n2cccc2)sc2c1CCCC2 O=C1NCCC[C@H]1[*:1] O=C(N[*:1])c1c(sc2CCCCc21)-n1cccc1
COc1cccc(-c2nnc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)o2)c1 COc1cccc(c1)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1nnc(o1)[*:1]
C[C@@H]1C[NH+](CCOc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c(O)c2)C[C@@H](C)O1 Clc1ccc(cc1)[*:1] C[C@@H]1C[NH+](CCOc2ccc(c(O)c2)-c2n[nH]cc2[*:1])C[C@@H](C)O1
C[C@H]1CC(C(=O)N2CCC[C@H](COc3ccccc3)C2)C[C@H](C)O1 c1ccc(cc1)O[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC[C@@H](C1)C[*:1]
C[C@H]1CC(C(=O)N2CCC[C@H](COc3ccccc3)C2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC[C@H](CO[*:1])C1
C[C@H]1CC(C(=O)N2CCC[C@H](COc3ccccc3)C2)C[C@H](C)O1 c1ccc(cc1)OC[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC[C@H](C1)[*:1]
Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccn(C3CCCC3)n1)CCS2 C1CCC(C1)[*:1] Fc1ccc2SCC[C@H]([NH2+]Cc3ccn(n3)[*:1])c2c1
CCCOc1c(Cl)cc(C(=O)N2CCC(C(=O)N(C)C)CC2)cc1OC CCC[*:1] COc1cc(cc(Cl)c1O[*:1])C(=O)N1CCC(CC1)C(=O)N(C)C
CCCOc1c(Cl)cc(C(=O)N2CCC(C(=O)N(C)C)CC2)cc1OC CN(C)C(=O)[*:1] CCCOc1c(Cl)cc(cc1OC)C(=O)N1CCC(CC1)[*:1]
CCCOc1c(Cl)cc(C(=O)N2CCC(C(=O)N(C)C)CC2)cc1OC CCCO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)N1CCC(CC1)C(=O)N(C)C
O=C1[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1c1ccc(F)c(Cl)c1)[C@@H]1C(c2cccc([N+](=O)[O-])c2)=NO[C@H]31 O=[N+]([O-])[*:1] O=C1[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1c1ccc(F)c(Cl)c1)[C@@H]1C(=NO[C@H]31)c1cccc(c1)[*:1]
O=C1[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1c1ccc(F)c(Cl)c1)[C@@H]1C(c2cccc([N+](=O)[O-])c2)=NO[C@H]31 O=[N+]([O-])c1cccc(c1)[*:1] O=C1[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1c1ccc(F)c(Cl)c1)[C@@H]1C(=NO[C@H]31)[*:1]
O=C1[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1c1ccc(F)c(Cl)c1)[C@@H]1C(c2cccc([N+](=O)[O-])c2)=NO[C@H]31 Fc1ccc(cc1Cl)[*:1] O=C1[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)N1[*:1])[C@@H]1C(=NO[C@H]31)c1cccc(c1)[N+](=O)[O-]
O=C(/C=C/c1cccc(C(F)(F)F)c1)NCC1(N2CCOCC2)CCCCC1 FC(F)(F)[*:1] O=C(/C=C/c1cccc(c1)[*:1])NCC1(CCCCC1)N1CCOCC1
O=C(/C=C/c1cccc(C(F)(F)F)c1)NCC1(N2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] O=C(/C=C/c1cccc(c1)C(F)(F)F)NCC1(CCCCC1)[*:1]
Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CC(C)(C)C4)cc1 Cc1ccc(cc1)[*:1] CC1(C)CC(=O)c2cc3c(N)c(sc3nc2C1)C(=O)N[*:1]
COc1ccc([C@@H]2CC(=O)[C@H]3C(=NC(=O)C[C@H]3C(=O)Nc3cccc(C)c3)C2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)[C@@H]1CC(=O)N=C2C[C@@H](CC(=O)[C@@H]21)[*:1]
COc1ccc([C@@H]2CC(=O)[C@H]3C(=NC(=O)C[C@H]3C(=O)Nc3cccc(C)c3)C2)cc1 Cc1cccc(c1)NC(=O)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)[C@H]2C(C1)=NC(=O)C[C@@H]2[*:1]
COc1ccc([C@@H]2CC(=O)[C@H]3C(=NC(=O)C[C@H]3C(=O)Nc3cccc(C)c3)C2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)[C@H]2C(C1)=NC(=O)C[C@H]2C(=O)N[*:1]
O=C(COc1ccc2ccccc2c1Br)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(COc1ccc2ccccc2c1Br)N1CCN(CC1)[*:1]
C[C@H](Nc1nc2nonc2nc1NCc1ccccc1)c1nccs1 c1ccc(cc1)CN[*:1] C[C@H](Nc1nc2nonc2nc1[*:1])c1nccs1
C[C@H](Nc1nc2nonc2nc1NCc1ccccc1)c1nccs1 c1ccc(cc1)[*:1] C[C@H](Nc1nc2nonc2nc1NC[*:1])c1nccs1
C[C@H](Nc1nc2nonc2nc1NCc1ccccc1)c1nccs1 c1csc(n1)[*:1] C[C@H](Nc1nc2nonc2nc1NCc1ccccc1)[*:1]
C[C@H](Nc1nc2nonc2nc1NCc1ccccc1)c1nccs1 c1ccc(cc1)C[*:1] C[C@H](Nc1nc2nonc2nc1N[*:1])c1nccs1
CC(C)CCOc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 CC(C)CCO[*:1] CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(cc3)[*:1])[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1
CC(C)CCOc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 CC(C)[*:1] CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(cc3)OCC[*:1])[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1
CC(C)CCOc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 CC(C)C[*:1] CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(cc3)OC[*:1])[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1
CC(C)CCOc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 CC(C)CC[*:1] CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(cc3)O[*:1])[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1
CCc1ccc(OC[C@H](O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 CCc1ccc(cc1)O[*:1] C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(C[C@@H](O)C[*:1])C2=O
CCc1ccc(OC[C@H](O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 CCc1ccc(cc1)[*:1] C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(C[C@@H](O)CO[*:1])C2=O
C[C@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] C[C@H](Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F)[*:1]
C[C@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)Nc1ccccc1 FC(F)(F)[*:1] C[C@H](Oc1ccc2c(cc(=O)oc2c1)[*:1])C(=O)Nc1ccccc1
C[C@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F)C(=O)N[*:1]
C[C@@H]1CCC[C@H](N2CCOC[C@@H]2C[C@H](O)c2ccco2)C1 O[C@H](c1ccco1)[*:1] C[C@@H]1CCC[C@@H](C1)N1CCOC[C@@H]1C[*:1]
C[C@@H]1CCC[C@H](N2CCOC[C@@H]2C[C@H](O)c2ccco2)C1 c1coc(c1)[*:1] C[C@@H]1CCC[C@@H](C1)N1CCOC[C@@H]1C[C@H](O)[*:1]
C[C@@H]1CCC[C@H](N2CCOC[C@@H]2C[C@H](O)c2ccco2)C1 C[C@@H]1CCC[C@H](C1)[*:1] O[C@@H](C[C@H]1COCCN1[*:1])c1ccco1
Cc1ccc(O[C@H](C)C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O
Cc1ccc(O[C@H](C)C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
COc1ccc2c(C/C(=N/N)c3ccccn3)ccnc2c1 c1ccc(nc1)[*:1] COc1ccc2c(ccnc2c1)CC(=NN)[*:1]
COc1ccc(NC(=O)N[C@H](C)c2c(C)noc2C)c(OC)c1 Cc1noc(C)c1[*:1] COc1ccc(NC(=O)N[C@H](C)[*:1])c(c1)OC
C=CCN(C(=O)C[NH+]1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)C[NH+]1CCCC1)[*:1]
C=CCN(C(=O)C[NH+]1CCCC1)c1ccccc1 C=CC[*:1] O=C(C[NH+]1CCCC1)N(c1ccccc1)[*:1]
COC(=O)c1ccccc1NC(=O)Cn1ncc2c1-c1ccccc1OC2 COC(=O)[*:1] O=C(Cn1ncc2COc3ccccc3-c21)Nc1ccccc1[*:1]
C[C@@H](CCn1cncn1)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 c1ncn(n1)[*:1] C[C@@H](CC[*:1])[NH2+][C@@H](C)c1ccc(cc1)-c1ccc(F)cc1
C[C@@H](CCn1cncn1)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 c1ncn(C[*:1])n1 C[C@@H](C[*:1])[NH2+][C@@H](C)c1ccc(cc1)-c1ccc(F)cc1
C[C@@H](CCn1cncn1)[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CCn1cncn1)[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CCCCN(C)C(=O)[C@@H](C[NH3+])CC(C)C CCC[*:1] CC(C)C[C@H](C[NH3+])C(=O)N(C)C[*:1]
CCCCN(C)C(=O)[C@@H](C[NH3+])CC(C)C CCCC[*:1] CC(C)C[C@H](C[NH3+])C(=O)N(C)[*:1]
CCCCN(C)C(=O)[C@@H](C[NH3+])CC(C)C CC(C)[*:1] CCCCN(C)C(=O)[C@@H](C[NH3+])C[*:1]
CCCCN(C)C(=O)[C@@H](C[NH3+])CC(C)C CC(C)C[*:1] CCCCN(C)C(=O)[C@@H](C[NH3+])[*:1]
Cn1ncnc1NC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 Cn1ncnc1[*:1] O=C(NC[C@@H]1CCN(C1)c1ccc(F)c(F)c1)N[*:1]
Cn1ncnc1NC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] Cn1ncnc1NC(=O)NC[C@@H]1CCN(C1)[*:1]
O=C(CSCc1csc(-c2ccccc2F)n1)NC[C@@H]1CCCO1 Fc1ccccc1[*:1] O=C(CSCc1csc(n1)[*:1])NC[C@@H]1CCCO1
O=C(CSCc1csc(-c2ccccc2F)n1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(CSCc1csc(n1)-c1ccccc1F)N[*:1]
O=C(CSCc1csc(-c2ccccc2F)n1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(CSCc1csc(n1)-c1ccccc1F)NC[*:1]
CC(C)c1nn(-c2ccccc2)c2c1[C@@H](c1ccc(CO)o1)CC(=O)N2 CC(C)[*:1] O=C1C[C@H](c2ccc(CO)o2)c2c(nn(-c3ccccc3)c2N1)[*:1]
CC(C)c1nn(-c2ccccc2)c2c1[C@@H](c1ccc(CO)o1)CC(=O)N2 OCc1ccc(o1)[*:1] CC(C)c1nn(-c2ccccc2)c2NC(=O)C[C@H](c12)[*:1]
CC(C)c1nn(-c2ccccc2)c2c1[C@@H](c1ccc(CO)o1)CC(=O)N2 c1ccc(cc1)[*:1] CC(C)c1nn(c2NC(=O)C[C@H](c3ccc(CO)o3)c12)[*:1]
COC(C)(C)c1ncc([C@H](C)O)c(C)n1 COC(C)(C)[*:1] Cc1nc(ncc1[C@H](C)O)[*:1]
COC(C)(C)c1ncc([C@H](C)O)c(C)n1 C[C@H](O)[*:1] COC(C)(C)c1ncc(c(C)n1)[*:1]
CN(C)C(=O)c1ccc(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)nc1 CN(C)C(=O)[*:1] O=c1[nH]nc([C@@H]2CCCN(C2)c2ccc(cn2)[*:1])n1-c1ccccc1
CN(C)C(=O)c1ccc(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)nc1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(nc1)N1CCC[C@H](C1)c1n[nH]c(=O)n1[*:1]
COCCOCCN1CCN(C(=O)c2ccc(C)s2)CC1 COCCOC[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)C[*:1]
COCCOCCN1CCN(C(=O)c2ccc(C)s2)CC1 COCCO[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)CC[*:1]
COCCOCCN1CCN(C(=O)c2ccc(C)s2)CC1 COC[*:1] Cc1ccc(s1)C(=O)N1CCN(CCOC[*:1])CC1
COCCOCCN1CCN(C(=O)c2ccc(C)s2)CC1 Cc1ccc(s1)[*:1] COCCOCCN1CCN(CC1)C(=O)[*:1]
COCCOCCN1CCN(C(=O)c2ccc(C)s2)CC1 COCCOCC[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)[*:1]
COCCOCCN1CCN(C(=O)c2ccc(C)s2)CC1 COCC[*:1] Cc1ccc(s1)C(=O)N1CCN(CCO[*:1])CC1
Cc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(/C=C(/C#N)C(=O)N[*:1])cc1
O=C(Cn1c(-c2cccs2)noc1=O)NCCc1c(F)cccc1F c1csc(c1)[*:1] O=C(Cn1c(noc1=O)[*:1])NCCc1c(F)cccc1F
O=C(Cn1c(-c2cccs2)noc1=O)NCCc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(Cn1c(noc1=O)-c1cccs1)NCC[*:1]
COCC[C@@H](C)C(=O)Oc1ccc(N(C)C(C)=O)cc1 COC[*:1] CC(=O)N(C)c1ccc(cc1)OC(=O)[C@H](C)C[*:1]
COCC[C@@H](C)C(=O)Oc1ccc(N(C)C(C)=O)cc1 CC(=O)N(C)[*:1] COCC[C@@H](C)C(=O)Oc1ccc(cc1)[*:1]
COCC[C@@H](C)C(=O)Oc1ccc(N(C)C(C)=O)cc1 COCC[C@@H](C)[*:1] CC(=O)N(C)c1ccc(cc1)OC(=O)[*:1]
COCC[C@@H](C)C(=O)Oc1ccc(N(C)C(C)=O)cc1 COCC[*:1] CC(=O)N(C)c1ccc(cc1)OC(=O)[C@H](C)[*:1]
COc1ccc([C@@H](O)CNC(=O)NCCn2cccc2)cc1 c1ccn(c1)[*:1] COc1ccc(cc1)[C@@H](O)CNC(=O)NCC[*:1]
COc1ccc([C@@H](O)CNC(=O)NCCn2cccc2)cc1 c1ccn(c1)C[*:1] COc1ccc(cc1)[C@@H](O)CNC(=O)NC[*:1]
COc1ccc([C@@H](O)CNC(=O)NCCn2cccc2)cc1 c1ccn(c1)CC[*:1] COc1ccc(cc1)[C@@H](O)CNC(=O)N[*:1]
CCc1nc([C@@H](C)NC(=O)c2c(O)cc(Cl)cc2Cl)cs1 CCc1nc(cs1)[*:1] C[C@@H](NC(=O)c1c(O)cc(Cl)cc1Cl)[*:1]
Cc1cc(C)cc(CN2CCO[C@@H](CC(=O)[O-])C2)c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)CN1CCO[C@H](C1)C[*:1]
Cc1cc(C)cc(CN2CCO[C@@H](CC(=O)[O-])C2)c1 O=C([O-])C[*:1] Cc1cc(C)cc(c1)CN1CCO[C@@H](C1)[*:1]
CCO[C@@H](C)c1ccc(-c2ccc(NC(C)=O)nc2)cc1 CCO[*:1] CC(=O)Nc1ccc(cn1)-c1ccc(cc1)[C@H](C)[*:1]
CCO[C@@H](C)c1ccc(-c2ccc(NC(C)=O)nc2)cc1 CCO[C@@H](C)[*:1] CC(=O)Nc1ccc(cn1)-c1ccc(cc1)[*:1]
CCO[C@@H](C)c1ccc(-c2ccc(NC(C)=O)nc2)cc1 CC(=O)N[*:1] CCO[C@@H](C)c1ccc(cc1)-c1ccc(nc1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](O)CCC[C@@H]21 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H]2[C@@H](O)CCC[C@@H]21
CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)CCc1ccc(cc1)C(C)(C)C)[C@H]1CCCC[C@H]1[*:1]
CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O CC(C)(C)[*:1] CN(C(=O)CCc1ccc(cc1)[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
C=CCNc1scc(-c2ccco2)[n+]1/N=C/c1cccs1 C=CC[*:1] C(=N/[n+]1c(csc1N[*:1])-c1ccco1)\c1cccs1
C=CCNc1scc(-c2ccco2)[n+]1/N=C/c1cccs1 c1csc(c1)[*:1] C=CCNc1scc(-c2ccco2)[n+]1N=C[*:1]
C=CCNc1scc(-c2ccco2)[n+]1/N=C/c1cccs1 C=CCN[*:1] C(=N/[n+]1c(csc1[*:1])-c1ccco1)\c1cccs1
C=CCNc1scc(-c2ccco2)[n+]1/N=C/c1cccs1 c1coc(c1)[*:1] C=CCNc1scc([n+]1/N=C/c1cccs1)[*:1]
C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccnc1 C=CCOC(=O)[*:1] CC1Nc2ncnn2[C@H](C=1[*:1])c1cccnc1
C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccnc1 c1cncc(c1)[*:1] C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1[*:1]
C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccnc1 C=CC[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)O[*:1])c1cccnc1
CCCCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 CCCCCNC(=O)[*:1] O=C1C[C@@H](CN1c1ccc2OCCOc2c1)[*:1]
CCCCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 CCC[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
CCCCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 CCCC[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
CCCCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 CCCCC[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
Cc1ccn([C@H](C)CC(=O)Nc2ccc(Cl)cc2F)n1 Cc1ccn(n1)[*:1] C[C@H](CC(=O)Nc1ccc(Cl)cc1F)[*:1]
CCC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](O)c1ccc(Cl)cc1 CCC[*:1] O=C1NCCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)[C@@H]1[*:1]
CCC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](O)[*:1]
COc1cc(C)c(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1OC Fc1ccccc1[*:1] COc1cc(C)c(cc1OC)NC(=O)c1nn(c(C)cc1=O)[*:1]
CC(C)C[C@H](C)CC(=O)N(C)[C@@H](C)c1ccccn1 CC(C)C[C@H](C)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)C[*:1]
CC(C)C[C@H](C)CC(=O)N(C)[C@@H](C)c1ccccn1 CC(C)[*:1] C[C@H](CC(=O)N(C)[C@@H](C)c1ccccn1)C[*:1]
CC(C)C[C@H](C)CC(=O)N(C)[C@@H](C)c1ccccn1 CC(C)C[*:1] C[C@@H](c1ccccn1)N(C)C(=O)C[C@@H](C)[*:1]
CC(C)C[C@H](C)CC(=O)N(C)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] CC(C)C[C@H](C)CC(=O)N(C)[C@@H](C)[*:1]
C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1ccccc1I Ic1ccccc1[*:1] C/C(Cn1nc(cc1C)[N+](=O)[O-])=N\NC(=O)[*:1]
C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1ccccc1I O=[N+]([O-])[*:1] C/C(Cn1nc(cc1C)[*:1])=N\NC(=O)c1ccccc1I
COC[C@](C)(NC(=O)c1cnn(C2CCCCC2)c1)c1ccccc1 C1CCC(CC1)[*:1] COC[C@](C)(NC(=O)c1cnn(c1)[*:1])c1ccccc1
COC[C@](C)(NC(=O)c1cnn(C2CCCCC2)c1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)c1cnn(c1)C1CCCCC1)[*:1]
COC[C@](C)(NC(=O)c1cnn(C2CCCCC2)c1)c1ccccc1 COC[*:1] C[C@](NC(=O)c1cnn(c1)C1CCCCC1)(c1ccccc1)[*:1]
CCC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CC2)CCO1 C1CC1[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@@H]1C[C@H]1[*:1]
CCC[C@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CC2)CCO1 CCC[*:1] O=C([C@@H]1C[C@@H]1C1CC1)N1CCO[C@H](C1)[*:1]
COC(=O)c1sccc1S(=O)(=O)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 COC(=O)[*:1] O=S(=O)(Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccsc1[*:1]
COC(=O)c1sccc1S(=O)(=O)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)c1sccc1S(=O)(=O)Oc1cc(cc(c1)[*:1])C(F)(F)F
COC(=O)c1sccc1S(=O)(=O)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 COC(=O)c1sccc1[*:1] O=S(=O)(Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[*:1]
Cc1c(CC(=O)N(C)C2CCCCC2)c2c(n1C[C@H]1CCCO1)CCCC2=O C1CCC(CC1)[*:1] Cc1c(CC(=O)N(C)[*:1])c2C(=O)CCCc2n1C[C@H]1CCCO1
CC(C)[C@@H](NC(=O)N(C)Cc1ccccc1F)c1ccccn1 CC(C)[*:1] CN(Cc1ccccc1F)C(=O)N[C@@H](c1ccccn1)[*:1]
CC(C)[C@@H](NC(=O)N(C)Cc1ccccc1F)c1ccccn1 Fc1ccccc1[*:1] CC(C)[C@@H](NC(=O)N(C)C[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)N(C)Cc1ccccc1F)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)N(C)Cc1ccccc1F)[*:1]
Cc1csc(C2([NH2+]CCOc3ccc([N+](=O)[O-])cc3)CCCC2)n1 O=[N+]([O-])[*:1] Cc1csc(n1)C1(CCCC1)[NH2+]CCOc1ccc(cc1)[*:1]
Cc1csc(C2([NH2+]CCOc3ccc([N+](=O)[O-])cc3)CCCC2)n1 Cc1csc(n1)[*:1] O=[N+]([O-])c1ccc(cc1)OCC[NH2+]C1(CCCC1)[*:1]
CC[C@@H](CCO)CNC(=O)c1c(C)noc1C OCC[*:1] CC[C@@H](CNC(=O)c1c(C)noc1C)[*:1]
CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)[O-])C1=O O=C([O-])[*:1] CC(=C\c1ccccc1)/C=C1/SC(=O)N(C[*:1])C1=O
CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)[O-])C1=O O=C([O-])C[*:1] CC(=C\c1ccccc1)/C=C1/SC(=O)N(C1=O)[*:1]
CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)[O-])C1=O c1ccc(cc1)[*:1] CC(=C[*:1])/C=C1/SC(=O)N(CC(=O)[O-])C1=O
COCCCN(C(=O)[C@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 COC[*:1] O=C([C@H]1CCCc2ccccc21)N(CC[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)[C@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] COCCCN(C(=O)[C@H]1CCCc2ccccc21)[*:1]
COCCCN(C(=O)[C@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 COCCC[*:1] O=C([C@H]1CCCc2ccccc21)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COCCCN(C(=O)[C@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] O=C([C@H]1CCCc2ccccc21)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CSC[C@@H](C)NC(=O)NNC(=O)NCc1ccc(Cl)cc1 CSC[*:1] C[C@@H](NC(=O)NNC(=O)NCc1ccc(Cl)cc1)[*:1]
CSC[C@@H](C)NC(=O)NNC(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CSC[C@@H](C)NC(=O)NNC(=O)NC[*:1]
CCC[NH+](C)CCC(=O)Nc1cc(N)ccc1C CCC[*:1] Cc1ccc(N)cc1NC(=O)CC[NH+](C)[*:1]
NC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] NC(=S)N/N=C/c1ccc(o1)-c1ccc(cc1)[*:1]
NC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 NC(=S)NN=C[*:1] O=[N+]([O-])c1ccc(cc1)-c1ccc(o1)[*:1]
COc1ccc(OC)c(CN(C)C(=O)[C@H]2CC(=O)N(C(C)C)C2)c1 CC(C)[*:1] COc1ccc(OC)c(c1)CN(C)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CCN1C[C@@H](C(=O)N[C@H](C#N)c2ccccc2C)CC1=O Cc1ccccc1[*:1] CCN1C[C@H](CC1=O)C(=O)N[C@H](C#N)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NC(C)(C)CO Clc1ccccc1[*:1] Cc1onc(c1C(=O)NC(C)(C)CO)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NC(C)(C)CO CC(C)(CO)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N[*:1]
COCc1cccc(C(=O)N(C)[C@H](C)c2ccccc2Cl)c1 COC[*:1] C[C@H](c1ccccc1Cl)N(C)C(=O)c1cccc(c1)[*:1]
COCc1cccc(C(=O)N(C)[C@H](C)c2ccccc2Cl)c1 Clc1ccccc1[*:1] COCc1cccc(c1)C(=O)N(C)[C@H](C)[*:1]
Cc1ccc(C[NH2+]Cc2cccn2C)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(C[NH2+]Cc2cccn2C)c(c1)[*:1]
Cc1ccc(C[NH2+]Cc2cccn2C)c(N(C)C)c1 Cn1cccc1[*:1] Cc1ccc(C[NH2+]C[*:1])c(c1)N(C)C
O=C(c1ccc(F)cc1F)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(c1ccc(F)cc1F)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
O=C(c1ccc(F)cc1F)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 Fc1ccc(c(F)c1)[*:1] O=C(N1CCN(CC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1)[*:1]
O=C(c1ccc(F)cc1F)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(F)cc1F)N1CCN(CC1)[C@@H](c1ccc(Cl)cc1)[*:1]
COC(=O)c1cnc(NN2C(=O)C=CC2=O)nc1C(F)(F)F COC(=O)[*:1] O=C1C=CC(=O)N1Nc1ncc(c(n1)C(F)(F)F)[*:1]
COC(=O)c1cnc(NN2C(=O)C=CC2=O)nc1C(F)(F)F FC(F)(F)[*:1] COC(=O)c1cnc(nc1[*:1])NN1C(=O)C=CC1=O
CS(=O)(=O)c1ccc(Nc2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)cs2)cc1 Clc1ccc(cc1Cl)[*:1] CS(=O)(=O)c1ccc(cc1)Nc1nc(cs1)C(=O)N[*:1]
CS(=O)(=O)c1ccc(Nc2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)cs2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)c1csc(n1)Nc1ccc(cc1)[*:1]
C[NH2+]CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 Fc1ccc(cc1)[*:1] C[NH2+]CC(=O)N1CCC(=O)N(C[*:1])[C@@H](C1)C(C)C
C[NH2+]CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 Fc1ccc(cc1)C[*:1] C[NH2+]CC(=O)N1CCC(=O)N([C@@H](C1)C(C)C)[*:1]
C[NH2+]CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 CC(C)[*:1] C[NH2+]CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C1)[*:1]
COc1ccccc1[C@H]1CN2C(=O)N(c3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 c1ccc(cc1)[*:1] COc1ccccc1[C@H]1CN2C(=O)N(C(=O)[C@]2(C)c2[nH]c3ccccc3c21)[*:1]
COc1ccccc1[C@H]1CN2C(=O)N(c3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 COc1ccccc1[*:1] C[C@]12C(=O)N(C(=O)N1C[C@@H](c1c2[nH]c2ccccc12)[*:1])c1ccccc1
O=c1[nH]c([O-])nc(/C=C/c2cccc(OCc3ccccc3F)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] O=c1[nH]c([O-])nc(/C=C/c2cccc(c2)OCc2ccccc2F)c1[*:1]
O=c1[nH]c([O-])nc(/C=C/c2cccc(OCc3ccccc3F)c2)c1[N+](=O)[O-] Fc1ccccc1[*:1] O=c1[nH]c([O-])nc(/C=C/c2cccc(c2)OC[*:1])c1[N+](=O)[O-]
O=c1[nH]c([O-])nc(/C=C/c2cccc(OCc3ccccc3F)c2)c1[N+](=O)[O-] Fc1ccccc1C[*:1] O=c1[nH]c([O-])nc(/C=C/c2cccc(c2)O[*:1])c1[N+](=O)[O-]
O=c1[nH]c([O-])nc(/C=C/c2cccc(OCc3ccccc3F)c2)c1[N+](=O)[O-] Fc1ccccc1CO[*:1] O=c1[nH]c([O-])nc(/C=C/c2cccc(c2)[*:1])c1[N+](=O)[O-]
CCN(CC)C(=O)c1ccccc1SCCOC COC[*:1] CCN(CC)C(=O)c1ccccc1SC[*:1]
CCN(CC)C(=O)c1ccccc1SCCOC COCC[*:1] CCN(CC)C(=O)c1ccccc1S[*:1]
CCN(CC)C(=O)c1ccccc1SCCOC COCCS[*:1] CCN(CC)C(=O)c1ccccc1[*:1]
CC[C@H]1c2ccccc2CCN1C(=O)CCSCC(=O)OC COC(=O)CSC[*:1] CC[C@H]1c2ccccc2CCN1C(=O)C[*:1]
CC[C@H]1c2ccccc2CCN1C(=O)CCSCC(=O)OC COC(=O)CS[*:1] CC[C@H]1c2ccccc2CCN1C(=O)CC[*:1]
CC[C@H]1c2ccccc2CCN1C(=O)CCSCC(=O)OC COC(=O)C[*:1] CC[C@H]1c2ccccc2CCN1C(=O)CCS[*:1]
CC[C@H]1c2ccccc2CCN1C(=O)CCSCC(=O)OC COC(=O)[*:1] CC[C@H]1c2ccccc2CCN1C(=O)CCSC[*:1]
COc1cc(/C=C(\C#N)c2nc(C)cs2)cc(Br)c1OCC(=O)N(C)C CN(C)C(=O)CO[*:1] COc1cc(/C=C(\C#N)c2nc(C)cs2)cc(Br)c1[*:1]
COc1cc(/C=C(\C#N)c2nc(C)cs2)cc(Br)c1OCC(=O)N(C)C CN(C)C(=O)C[*:1] COc1cc(/C=C(\C#N)c2nc(C)cs2)cc(Br)c1O[*:1]
COc1cc(/C=C(\C#N)c2nc(C)cs2)cc(Br)c1OCC(=O)N(C)C Cc1csc(n1)[*:1] COc1cc(C=C(C#N)[*:1])cc(Br)c1OCC(=O)N(C)C
COc1cc(/C=C(\C#N)c2nc(C)cs2)cc(Br)c1OCC(=O)N(C)C CN(C)C(=O)[*:1] COc1cc(/C=C(\C#N)c2nc(C)cs2)cc(Br)c1OC[*:1]
Cc1cc(Br)ccc1NC(=O)CNC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)CNC(=O)N[*:1]
CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(C)c(C)c3)S2)cc1 CCCOc1ccc(cc1)[*:1] Cc1ccc(cc1C)/N=C1/S[C@H](CC(=O)N1C)C(=O)N[*:1]
CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(C)c(C)c3)S2)cc1 CCC[*:1] Cc1ccc(cc1C)/N=C1/S[C@H](CC(=O)N1C)C(=O)Nc1ccc(cc1)O[*:1]
CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(C)c(C)c3)S2)cc1 Cc1ccc(cc1C)[*:1] CCCOc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C)C(=N[*:1])S1
CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(C)c(C)c3)S2)cc1 CCCO[*:1] Cc1ccc(cc1C)/N=C1/S[C@H](CC(=O)N1C)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(CC(=O)NCc2nc(C)c(C)s2)cc1 CCO[*:1] Cc1nc(CNC(=O)Cc2ccc(cc2)[*:1])sc1C
CCOc1ccc(CC(=O)NCc2nc(C)c(C)s2)cc1 Cc1nc(sc1C)[*:1] CCOc1ccc(cc1)CC(=O)NC[*:1]
C/[NH+]=C(/NCC(=O)N1CCCCC1)NC(C)C CC(C)[*:1] C/[NH+]=C(/NCC(=O)N1CCCCC1)N[*:1]
COC(=O)[C@H](C)CSc1cccc(F)c1C#N COC(=O)[*:1] C[C@H](CSc1cccc(F)c1C#N)[*:1]
C[NH+](C)[C@H](CNC(=O)c1cccc(NC(=O)NC2CC2)c1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@H](CNC(=O)c1cccc(c1)NC(=O)NC1CC1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1cccc(NC(=O)NC2CC2)c1)C1CCCCC1 C1CC1[*:1] C[NH+](C)[C@H](CNC(=O)c1cccc(c1)NC(=O)N[*:1])C1CCCCC1
C[NH+](C)[C@H](CNC(=O)c1cccc(NC(=O)NC2CC2)c1)C1CCCCC1 O=C(NC1CC1)N[*:1] C[NH+](C)[C@H](CNC(=O)c1cccc(c1)[*:1])C1CCCCC1
COCc1cccc(NC2=[NH+]CCCCC2)c1 COC[*:1] c1cc(cc(c1)[*:1])NC1CCCCC[NH+]=1
C[C@@H](Nc1ncccc1C#N)C(C)(C)C CC(C)(C)[*:1] C[C@@H](Nc1ncccc1C#N)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(C(C)C)CC1 Fc1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)N1CCN(CC1)C(C)C)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(C(C)C)CC1 CC(C)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(CC1)[*:1]
Cc1ccn2nc(N[C@@H](C)CS(C)(=O)=O)nc2c1 CS(=O)(=O)C[*:1] Cc1ccn2nc(nc2c1)N[C@@H](C)[*:1]
Cc1ccn2nc(N[C@@H](C)CS(C)(=O)=O)nc2c1 CS(=O)(=O)[*:1] Cc1ccn2nc(nc2c1)N[C@@H](C)C[*:1]
CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2s1)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@@H](NC(=O)c1cc2ccccc2s1)[*:1]
CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2s1)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2s1)[*:1]
C[C@H](Cc1cccs1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] O=C(NC1CC1)[*:1] C[C@H](Cc1cccs1)Nc1ccc(cc1[N+](=O)[O-])[*:1]
C[C@H](Cc1cccs1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] c1csc(c1)C[*:1] C[C@H](Nc1ccc(cc1[N+](=O)[O-])C(=O)NC1CC1)[*:1]
C[C@H](Cc1cccs1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] C1CC1[*:1] C[C@H](Cc1cccs1)Nc1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
C[C@H](Cc1cccs1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] c1csc(c1)[*:1] C[C@H](C[*:1])Nc1ccc(cc1[N+](=O)[O-])C(=O)NC1CC1
C[C@H](Cc1cccs1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](Cc1cccs1)Nc1ccc(cc1[*:1])C(=O)NC1CC1
Cc1cc(C(=O)NCc2ccc[nH+]c2N(C)Cc2ccccc2)no1 Cc1cc(no1)[*:1] CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[*:1]
Cc1cc(C(=O)NCc2ccc[nH+]c2N(C)Cc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)C(=O)NCc1ccc[nH+]c1N(C)C[*:1]
Cc1cc(C(=O)NCc2ccc[nH+]c2N(C)Cc2ccccc2)no1 c1ccc(cc1)C[*:1] Cc1cc(no1)C(=O)NCc1ccc[nH+]c1N(C)[*:1]
CC[C@@H](CCO)NC(=O)Nc1cccc(N2CCC(C)CC2)c1 CC1CCN(CC1)[*:1] CC[C@@H](CCO)NC(=O)Nc1cccc(c1)[*:1]
CC[C@@H](CCO)NC(=O)Nc1cccc(N2CCC(C)CC2)c1 OCC[*:1] CC[C@@H](NC(=O)Nc1cccc(c1)N1CCC(C)CC1)[*:1]
Cc1[nH]nc2c1N[C@@H](c1cccc(NC(=O)c3ccccc3Cl)c1)NC2=O Clc1ccccc1[*:1] Cc1[nH]nc2C(=O)N[C@@H](Nc21)c1cccc(c1)NC(=O)[*:1]
COC(=O)c1sccc1S(=O)(=O)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 COC(=O)c1sccc1[*:1] O=S(=O)(N1CC(C1)c1nc(no1)-c1cccc(Cl)c1)[*:1]
COC(=O)c1sccc1S(=O)(=O)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 COC(=O)[*:1] O=S(=O)(c1ccsc1[*:1])N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
COC(=O)c1sccc1S(=O)(=O)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 Clc1cccc(c1)[*:1] COC(=O)c1sccc1S(=O)(=O)N1CC(C1)c1nc(no1)[*:1]
Cn1ccnc1[C@@H](NC(=O)CCOc1ccc(Cl)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)CCO[*:1])c1ccc(Cl)cc1
Cn1ccnc1[C@@H](NC(=O)CCOc1ccc(Cl)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)CCOc1ccc(Cl)cc1)[*:1]
Cn1ccnc1[C@@H](NC(=O)CCOc1ccc(Cl)cc1)c1ccc(Cl)cc1 Cn1ccnc1[*:1] O=C(CCOc1ccc(Cl)cc1)N[C@@H](c1ccc(Cl)cc1)[*:1]
Cn1ccnc1[C@@H](NC(=O)CCOc1ccc(Cl)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)OC[*:1] Cn1ccnc1[C@@H](NC(=O)C[*:1])c1ccc(Cl)cc1
Cn1ccnc1[C@@H](NC(=O)CCOc1ccc(Cl)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] Cn1ccnc1[C@@H](NC(=O)CC[*:1])c1ccc(Cl)cc1
CC(C)(C)OC(=O)NCCC(=O)NCc1ccoc1 c1cc(co1)[*:1] CC(C)(C)OC(=O)NCCC(=O)NC[*:1]
CC(C)(C)OC(=O)NCCC(=O)NCc1ccoc1 c1cc(co1)C[*:1] CC(C)(C)OC(=O)NCCC(=O)N[*:1]
CC(C)(C)OC(=O)NCCC(=O)NCc1ccoc1 CC(C)(C)[*:1] O=C(CCNC(=O)O[*:1])NCc1ccoc1
CCn1ncc(CN(C)C(=O)Cn2cc(C)c(N)n2)c1C Cc1cn(nc1N)[*:1] CCn1ncc(CN(C)C(=O)C[*:1])c1C
C=CCn1c(SCC(C)C)nnc1-c1ccc(Cl)cc1 CC(C)CS[*:1] C=CCn1c(nnc1[*:1])-c1ccc(Cl)cc1
C=CCn1c(SCC(C)C)nnc1-c1ccc(Cl)cc1 C=CC[*:1] CC(C)CSc1nnc(-c2ccc(Cl)cc2)n1[*:1]
C=CCn1c(SCC(C)C)nnc1-c1ccc(Cl)cc1 CC(C)[*:1] C=CCn1c(nnc1-c1ccc(Cl)cc1)SC[*:1]
C=CCn1c(SCC(C)C)nnc1-c1ccc(Cl)cc1 CC(C)C[*:1] C=CCn1c(nnc1-c1ccc(Cl)cc1)S[*:1]
CCN(Cc1cccs1)C(=O)CN1CCC([NH3+])CC1 c1csc(c1)[*:1] CCN(C[*:1])C(=O)CN1CCC([NH3+])CC1
CCN(Cc1cccs1)C(=O)CN1CCC([NH3+])CC1 c1csc(c1)C[*:1] CCN(C(=O)CN1CCC([NH3+])CC1)[*:1]
Cc1sc2ncnc(S[C@@H](C(=O)C3=c4ccccc4=[NH+]C3)c3ccccc3)c2c1C c1ccc(cc1)[*:1] Cc1sc2ncnc(S[C@@H](C(=O)C3C[NH+]=c4ccccc4=3)[*:1])c2c1C
CCN(Cc1noc(CC(C)C)n1)C(=O)Cn1nc([O-])ccc1=O CC(C)C[*:1] CCN(Cc1noc(n1)[*:1])C(=O)Cn1nc([O-])ccc1=O
CCN(Cc1noc(CC(C)C)n1)C(=O)Cn1nc([O-])ccc1=O CC(C)[*:1] CCN(Cc1noc(C[*:1])n1)C(=O)Cn1nc([O-])ccc1=O
CCN(Cc1noc(CC(C)C)n1)C(=O)Cn1nc([O-])ccc1=O O=c1ccc([O-])nn1[*:1] CCN(Cc1noc(CC(C)C)n1)C(=O)C[*:1]
CC(C)CN(CC[NH+](C)C)[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 CC(C)[*:1] C[NH+](C)CCN(C[*:1])[C@@H]1CCC[C@@]([NH3+])(C1)C(=O)[O-]
CC(C)CN(CC[NH+](C)C)[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 CC(C)C[*:1] C[NH+](C)CCN([C@@H]1CCC[C@@]([NH3+])(C1)C(=O)[O-])[*:1]
CC(C)CN(CC[NH+](C)C)[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 O=C([O-])[*:1] CC(C)CN(CC[NH+](C)C)[C@@H]1CCC[C@]([NH3+])(C1)[*:1]
CO[C@@]1(C)C[C@H](NC(=O)c2cnc(-c3ccoc3)s2)C1(C)C c1cc(co1)[*:1] CO[C@@]1(C)C[C@H](NC(=O)c2cnc(s2)[*:1])C1(C)C
O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)[C@@H]1CCOC1 O=C(N[*:1])[C@@H]1CCOC1 O=S(=O)(Cc1cccc(c1)[*:1])c1ccccc1
O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)[C@@H]1CCOC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)CS(=O)(=O)[*:1])[C@@H]1CCOC1
CC1(C)CCSC[C@]12CC(=O)N[C@H]2Cc1ccccc1 c1ccc(cc1)[*:1] CC1(C)CCSC[C@]12CC(=O)N[C@H]2C[*:1]
Cc1ccoc1C(=O)N[C@@H](C)c1nnc2n1CCCCC2 Cc1ccoc1[*:1] C[C@H](NC(=O)[*:1])c1nnc2CCCCCn21
Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)cn1C C(#C[*:1])c1ccccn1 Cc1nc(cn1C)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)cn1C Cc1nc(cn1C)[*:1] O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)cn1C c1ccc(nc1)[*:1] Cc1nc(cn1C)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(C#C[*:1])c1
CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2c(C)nn3CC)cc1 Fc1ccc(cc1)C[*:1] CCc1ccc(cc1)NC(=O)Cn1c(=O)n(c(=O)c2c1c(C)nn2CC)[*:1]
CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2c(C)nn3CC)cc1 CCc1ccc(cc1)[*:1] CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)N[*:1]
CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2c(C)nn3CC)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2c1c(C)nn2CC
CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2c(C)nn3CC)cc1 CCc1ccc(cc1)NC(=O)[*:1] CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C[*:1]
O=C(NNC(=O)c1cc(F)ccc1Br)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(NNC(=O)c1cc(F)ccc1Br)N[*:1]
CC[C@H]1CC[C@@](C#N)([C@](C)(O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@H]1CC[C@](C#N)(C1)[C@](C)(O)C[*:1]
Nc1cc(Br)ccc1SCC(F)(F)F FC(F)(F)[*:1] Nc1cc(Br)ccc1SC[*:1]
COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(C(C)=O)cc3)n2)c1 CC(=O)c1ccc(cc1)[*:1] COc1cccc(c1)-c1ccc(C#N)c(n1)SCC(=O)N[*:1]
COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(C(C)=O)cc3)n2)c1 CC(=O)[*:1] COc1cccc(c1)-c1ccc(C#N)c(n1)SCC(=O)Nc1ccc(cc1)[*:1]
COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(C(C)=O)cc3)n2)c1 COc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nc(ccc1C#N)[*:1]
CC[NH2+][C@@H](c1ccc(-c2cc(F)cc(F)c2)s1)C1CC1 C1CC1[*:1] CC[NH2+][C@@H](c1ccc(s1)-c1cc(F)cc(F)c1)[*:1]
Cc1nc(C)c(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)o1 CC(C)[*:1] Cc1nc(C)c(o1)C(=O)NCc1cccc(c1)NC(=O)C[*:1]
Cc1nc(C)c(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)o1 CC(C)C[*:1] Cc1nc(C)c(o1)C(=O)NCc1cccc(c1)NC(=O)[*:1]
Cc1nc(C)c(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)o1 Cc1nc(C)c(o1)[*:1] CC(C)CC(=O)Nc1cccc(c1)CNC(=O)[*:1]
Cc1nc(C)c(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)o1 CC(C)CC(=O)N[*:1] Cc1nc(C)c(o1)C(=O)NCc1cccc(c1)[*:1]
N#Cc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1 N#Cc1cccc(c1)[*:1] N#Cc1c(NC(=O)[*:1])sc2CCCCCCc21
COc1ccc2c(c1)[C@@H](C(=O)NC(C)(C)c1nnc(N)s1)CC(=O)N2 Nc1nnc(s1)[*:1] COc1ccc2NC(=O)C[C@H](C(=O)NC(C)(C)[*:1])c2c1
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 Cc1ccc(cc1)[*:1] O=C1OC(=N/C1=C/c1ccccc1OS(=O)(=O)[*:1])c1ccc(F)cc1
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1/C=C1/N=C(OC1=O)[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] O=C(Nc1ccc2OCOc2c1)c1cccc(n1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1cccc(OCC(F)F)n1 FC(F)[*:1] O=C(Nc1ccc2OCOc2c1)c1cccc(n1)OC[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1cccc(OCC(F)F)n1 FC(F)C[*:1] O=C(Nc1ccc2OCOc2c1)c1cccc(n1)O[*:1]
CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1 O=C(N[*:1])c1ccccc1 CS(=O)(=O)c1ccc(Cl)c(c1)NC(=O)c1ccccc1[*:1]
CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1 CS(=O)(=O)[*:1] O=C(Nc1ccccc1C(=O)Nc1cc(ccc1Cl)[*:1])c1ccccc1
CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)NC(=O)c1ccccc1NC(=O)[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)CCCO)c1 OCC[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)C[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)CCCO)c1 CCC(=O)N[*:1] O=C(CCCO)Nc1cc(ccc1Cl)[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)CCCO)c1 OCCC[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)[*:1]
Cc1[nH+]c2ccccc2c(C)c1CC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 O=C(Nc1cccc(F)c1)[*:1] Cc1[nH+]c2ccccc2c(C)c1CC(=O)Nc1cccc(c1)[*:1]
Cc1[nH+]c2ccccc2c(C)c1CC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] Cc1[nH+]c2ccccc2c(C)c1CC(=O)Nc1cccc(c1)C(=O)N[*:1]
CCOc1cccc(NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] CCOc1cccc(c1)NC(=O)N[C@@H](COC)[*:1]
CCOc1cccc(NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)c1 CCO[*:1] COC[C@H](NC(=O)Nc1cccc(c1)[*:1])c1ccc(F)c(F)c1
CCOc1cccc(NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)c1 COC[*:1] CCOc1cccc(c1)NC(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COc1ccc(C(=O)N(C)C)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 Fc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)c1nn(c2CCCCc12)[*:1])C(=O)N(C)C
COc1ccc(C(=O)N(C)C)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 CN(C)C(=O)[*:1] COc1ccc(cc1NC(=O)c1nn(-c2ccc(F)cc2)c2CCCCc12)[*:1]
O=[N+]([O-])c1ccccc1SN[C@H](N1CCOCC1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=[N+]([O-])c1ccccc1SN[C@H](N1CCOCC1)[*:1]
O=[N+]([O-])c1ccccc1SN[C@H](N1CCOCC1)C(Cl)(Cl)Cl C1CN(CCO1)[*:1] O=[N+]([O-])c1ccccc1SN[C@H](C(Cl)(Cl)Cl)[*:1]
O=[N+]([O-])c1ccccc1SN[C@H](N1CCOCC1)C(Cl)(Cl)Cl O=[N+]([O-])[*:1] ClC(Cl)(Cl)[C@H](NSc1ccccc1[*:1])N1CCOCC1
COC[C@@H](C)[NH2+][C@H](C)C(=O)N1CCCCC1 COC[*:1] C[C@@H]([NH2+][C@H](C)[*:1])C(=O)N1CCCCC1
Cc1cc(Br)c2[nH+]cc(C(=O)[O-])c(N)c2c1 O=C([O-])[*:1] Cc1cc(Br)c2[nH+]cc(c(N)c2c1)[*:1]
CCCOc1cccc([C@@H](O)[C@@H](F)C(=O)[O-])c1 O=C([O-])[*:1] CCCOc1cccc(c1)[C@@H](O)[C@@H](F)[*:1]
CCCOc1cccc([C@@H](O)[C@@H](F)C(=O)[O-])c1 CCC[*:1] O=C([O-])[C@H](F)[C@H](O)c1cccc(c1)O[*:1]
CCCOc1cccc([C@@H](O)[C@@H](F)C(=O)[O-])c1 CCCO[*:1] O=C([O-])[C@H](F)[C@H](O)c1cccc(c1)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC=O CC(C)[*:1] C[C@H]1CC[C@@H]([C@H](C1)OC=O)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC=O O=CO[*:1] CC(C)[C@H]1CC[C@H](C)C[C@H]1[*:1]
Cc1ccc([C@](C)(O)CNC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)o1 Cn1cc(cn1)[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)N[C@H]1CCCN(C1)[*:1]
Cc1ccc([C@](C)(O)CNC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)o1 Cc1ccc(o1)[*:1] Cn1cc(cn1)N1CCC[C@@H](C1)NC(=O)NC[C@](C)(O)[*:1]
CN(C)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc1 Clc1ccc(cc1)[*:1] CN(C)c1ccc(nc1)NC(=O)C(C)(C)O[*:1]
CN(C)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc1 CN(C)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(cn1)[*:1]
CCOC(=O)Cn1/c(=N/C(=O)Cc2c(C)cc(C)cc2C)sc2cc(S(N)(=O)=O)ccc21 CCOC(=O)C[*:1] Cc1cc(C)c(CC(=O)/N=c2\sc3cc(ccc3n2[*:1])S(N)(=O)=O)c(C)c1
CCOC(=O)Cn1/c(=N/C(=O)Cc2c(C)cc(C)cc2C)sc2cc(S(N)(=O)=O)ccc21 CCOC(=O)[*:1] Cc1cc(C)c(CC(=O)/N=c2\sc3cc(ccc3n2C[*:1])S(N)(=O)=O)c(C)c1
CCOC(=O)Cn1/c(=N/C(=O)Cc2c(C)cc(C)cc2C)sc2cc(S(N)(=O)=O)ccc21 Cc1cc(C)c(C[*:1])c(C)c1 CCOC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(N)(=O)=O
CCOC(=O)Cn1/c(=N/C(=O)Cc2c(C)cc(C)cc2C)sc2cc(S(N)(=O)=O)ccc21 Cc1cc(C)c(c(C)c1)[*:1] CCOC(=O)Cn1/c(=N/C(=O)C[*:1])sc2cc(ccc21)S(N)(=O)=O
CCOC(=O)Cn1/c(=N/C(=O)Cc2c(C)cc(C)cc2C)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CCOC(=O)Cn1/c(=N/C(=O)Cc2c(C)cc(C)cc2C)sc2cc(ccc21)[*:1]
COc1cc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC(=NN1[*:1])c1ccccc1
COc1cc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC(=NN1c1ccccc1)[*:1]
O=C(CCCn1ccnn1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 c1cn(CCC[*:1])nn1 O=C(N1CCc2ccccc2[C@@H]1Cc1ccccc1)[*:1]
O=C(CCCn1ccnn1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CCCn1ccnn1)N1CCc2ccccc2[C@@H]1C[*:1]
O=C(CCCn1ccnn1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CCc2ccccc2[C@@H]1Cc1ccccc1
O=C(CCCn1ccnn1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCCn1ccnn1)N1CCc2ccccc2[C@H]1[*:1]
O=C(CCCn1ccnn1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCc2ccccc2[C@@H]1Cc1ccccc1
O=C(CCCn1ccnn1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCc2ccccc2[C@@H]1Cc1ccccc1
CCc1nc([C@H](C)NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] CCc1nc(cs1)[C@H](C)NC(=O)N[C@@H](CC(F)(F)F)[*:1]
CCc1nc([C@H](C)NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cs1 FC(F)(F)[*:1] CCc1nc(cs1)[C@H](C)NC(=O)N[C@@H](C[*:1])c1ccc(F)cc1
CCc1nc([C@H](C)NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cs1 FC(F)(F)C[*:1] CCc1nc(cs1)[C@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CCc1nc([C@H](C)NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cs1 CCc1nc(cs1)[*:1] C[C@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
NC(=O)c1c(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)sc2c1CCC2 NC(=O)[*:1] O=C(Cn1cc(ccc1=O)S(=O)(=O)N1CCCC1)Nc1sc2CCCc2c1[*:1]
NC(=O)c1c(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)sc2c1CCC2 O=S(=O)(N1CCCC1)[*:1] NC(=O)c1c(NC(=O)Cn2cc(ccc2=O)[*:1])sc2CCCc21
CC(=O)[C@@H](NC(=O)CN1CCN(Cc2cn3ccccc3[nH+]2)CC1)C(C)C CC(=O)[C@@H](C(C)C)[*:1] O=C(CN1CCN(CC1)Cc1cn2ccccc2[nH+]1)N[*:1]
CC(=O)[C@@H](NC(=O)CN1CCN(Cc2cn3ccccc3[nH+]2)CC1)C(C)C CC(=O)[*:1] CC(C)[C@H](NC(=O)CN1CCN(CC1)Cc1cn2ccccc2[nH+]1)[*:1]
CC(=O)[C@@H](NC(=O)CN1CCN(Cc2cn3ccccc3[nH+]2)CC1)C(C)C CC(C)[*:1] CC(=O)[C@@H](NC(=O)CN1CCN(CC1)Cc1cn2ccccc2[nH+]1)[*:1]
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(N2CCOC2=O)c1 FC(F)(F)[*:1] CCCOc1ccc(cc1NC(=O)c1cccc(c1)N1CCOC1=O)[*:1]
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(N2CCOC2=O)c1 CCC[*:1] O=C(Nc1cc(ccc1O[*:1])C(F)(F)F)c1cccc(c1)N1CCOC1=O
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] CCCOc1ccc(cc1NC(=O)c1cccc(c1)[*:1])C(F)(F)F
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(N2CCOC2=O)c1 CCCO[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)c1cccc(c1)N1CCOC1=O
CCn1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 CCn1ccc(n1)[C@H](C)[*:1] Cc1c(cnn1C)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCn1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 Cc1c(cnn1C)[*:1] CCn1ccc(n1)[C@H](C)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCn1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 CCn1ccc(n1)[*:1] Cc1c(cnn1C)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)C=C(C)C)s1 CNS(=O)(=O)[*:1] CC(C)=CC(=O)NCc1ccc(s1)[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)C=C(C)C)s1 CC(C)=C[*:1] CNS(=O)(=O)c1ccc(CNC(=O)[*:1])s1
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)N1CCC2(C1)OCCO2 CC(C)[*:1] CC(C)c1cccc(c1NC(=O)C(=O)N1CCC2(C1)OCCO2)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@@H]2NN=C(C3=c4ccccc4=[NH+]C3)N2C2CC2)c1C CC(=O)c1c(C)[nH]c(c1C)[*:1] C[C@H](S[C@@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1C1CC1)C(=O)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@@H]2NN=C(C3=c4ccccc4=[NH+]C3)N2C2CC2)c1C C1CC1[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@@H]2NN=C(C3C[NH+]=c4ccccc4=3)N2[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@@H]2NN=C(C3=c4ccccc4=[NH+]C3)N2C2CC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@H](C)S[C@@H]2NN=C(C3C[NH+]=c4ccccc4=3)N2C2CC2)c(C)c1[*:1]
CC[C@H](Sc1nc2ccccc2[nH]1)C(N)=O NC(=O)[*:1] CC[C@H](Sc1nc2ccccc2[nH]1)[*:1]
CC1=C[C@H](C(=O)N/N=C(/C)c2ccco2)N=N1 c1coc(c1)[*:1] CC1=C[C@@H](N=N1)C(=O)NN=C(C)[*:1]
CCO[C@H](CCNC(=O)c1cc2c(F)cccc2[nH]1)C(C)C CC(C)[*:1] CCO[C@H](CCNC(=O)c1cc2c(F)cccc2[nH]1)[*:1]
CCO[C@H](CCNC(=O)c1cc2c(F)cccc2[nH]1)C(C)C CCO[*:1] CC(C)[C@@H](CCNC(=O)c1cc2c(F)cccc2[nH]1)[*:1]
Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)N[*:1])N(C(=O)[C@H]13)C1CC1
Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 C1CC1[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C(=O)[C@H]13)[*:1]
Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C(=O)[C@H]13)C1CC1
Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C(NC1CCCCC1)[C@H]1N(C(=O)[C@@H]2[C@@H]([C@H]3C=C[C@@]12O3)[*:1])C1CC1
Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 O=C(NC1CCCCC1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](N(C(=O)[C@H]13)C1CC1)[*:1]
CC(C)Oc1c(Cl)cccc1NCc1nnc(C2CCC2)o1 C1CC(C1)[*:1] CC(C)Oc1c(Cl)cccc1NCc1nnc(o1)[*:1]
CC(C)Oc1c(Cl)cccc1NCc1nnc(C2CCC2)o1 CC(C)O[*:1] Clc1cccc(NCc2nnc(o2)C2CCC2)c1[*:1]
CC(C)Oc1c(Cl)cccc1NCc1nnc(C2CCC2)o1 CC(C)[*:1] Clc1cccc(NCc2nnc(o2)C2CCC2)c1O[*:1]
C=C=CO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 CC1(C)OC[C@H](O1)[*:1] C=C=CO[C@@H]1[C@H](O[C@@H]2OC(C)(C)O[C@@H]21)[*:1]
C=C=CO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 C=C=CO[*:1] CC1(C)OC[C@H](O1)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1[*:1]
CCCCCO[C@H]1CC[C@]([NH3+])(C(N)=O)C1 CCC[*:1] NC(=O)[C@@]1([NH3+])CC[C@@H](C1)OCC[*:1]
CCCCCO[C@H]1CC[C@]([NH3+])(C(N)=O)C1 NC(=O)[*:1] CCCCCO[C@H]1CC[C@]([NH3+])(C1)[*:1]
CCCCCO[C@H]1CC[C@]([NH3+])(C(N)=O)C1 CCCC[*:1] NC(=O)[C@@]1([NH3+])CC[C@@H](C1)OC[*:1]
CCCCCO[C@H]1CC[C@]([NH3+])(C(N)=O)C1 CCCCC[*:1] NC(=O)[C@@]1([NH3+])CC[C@@H](C1)O[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)CCn2ccc(C(=O)[O-])n2)C1 O=C([O-])[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CCn1ccc(n1)[*:1]
COc1ccc(C(=O)CCC(=O)Nc2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] COc1ccc(cc1)C(=O)CCC(=O)N[*:1]
O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccnn1Cc1ccccn1 c1ccc(nc1)[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccnn1C[*:1]
O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccnn1Cc1ccccn1 c1ccc(C[*:1])nc1 O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccnn1[*:1]
C[C@H](NC=C(C#N)C#N)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC=C(C#N)C#N)c1ccc(cc1)[*:1]
COCCc1ccc([C@@H]([NH3+])c2cc(C)c(Br)s2)cc1 COCC[*:1] Cc1cc(sc1Br)[C@H]([NH3+])c1ccc(cc1)[*:1]
COCCc1ccc([C@@H]([NH3+])c2cc(C)c(Br)s2)cc1 COC[*:1] Cc1cc(sc1Br)[C@H]([NH3+])c1ccc(cc1)C[*:1]
Cc1[nH+]ccn1CCCC(=O)N(C)Cc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] Cc1[nH+]ccn1CCCC(=O)N(C)Cc1ccc(cc1)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1ccc(cc1)-c1cc2ccccc2o1)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccccc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccccc1)[*:1])Nc1ccc(cc1)-c1cc2ccccc2o1
CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccccc1 c1ccc2oc(cc2c1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CC[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@H](C)NC(=O)N[C@H](C)[*:1]
CC[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCCO1 CC[C@H](C)[*:1] C[C@@H](NC(=O)N[*:1])[C@@H]1CCCO1
Cc1c(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c(=O)n(n1C)[*:1]
Cc1c(CN2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c(=O)n(-c2ccccc2)n1C Fc1cccc(c1)[*:1] Cc1c(CN2CC[C@@H](C)[C@H]2[*:1])c(=O)n(-c2ccccc2)n1C
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] N#C/C(=C/c1ccc(O)cc1)C(=O)N[*:1]
N#C/C(=C/c1ccc(O)cc1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] N#C/C(=C/c1ccc(O)cc1)C(=O)NC[*:1]
CC(=O)Nc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(=O)c2ccccc2o1
COc1ccc([C@H](C)C(=O)N2CCN(C(=O)[C@@H](C)c3ccc(OC)cc3)[C@@H](C)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](C)C(=O)N1CCN(C[C@@H]1C)C(=O)[C@@H](C)[*:1]
COc1ccc([C@H](C)C(=O)N2CCN(C(=O)[C@@H](C)c3ccc(OC)cc3)[C@@H](C)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)[*:1])[C@@H](C)C1
COc1ccc([C@H](C)C(=O)N2CCN(C(=O)[C@@H](C)c3ccc(OC)cc3)[C@@H](C)C2)cc1 COc1ccc(cc1)[C@H](C)[*:1] COc1ccc(cc1)[C@H](C)C(=O)N1CCN(C(=O)[*:1])[C@@H](C)C1
COc1ccc([C@H](C)C(=O)N2CCN(C(=O)[C@@H](C)c3ccc(OC)cc3)[C@@H](C)C2)cc1 COc1ccc(cc1)[C@H](C)[*:1] COc1ccc(cc1)[C@H](C)C(=O)N1CCN(C[C@@H]1C)C(=O)[*:1]
COCc1ccccc1NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 C1CC(C1)[*:1] COCc1ccccc1NC(=O)N(C[*:1])[C@@H](C)c1ccccc1
COCc1ccccc1NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] COCc1ccccc1NC(=O)N(CC1CCC1)[*:1]
COCc1ccccc1NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 C1CC(C1)C[*:1] COCc1ccccc1NC(=O)N([C@@H](C)c1ccccc1)[*:1]
COCc1ccccc1NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 COC[*:1] C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)Nc1ccccc1[*:1]
COCc1ccccc1NC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COCc1ccccc1NC(=O)N(CC1CCC1)[C@@H](C)[*:1]
COc1cc2s/c(=N\C(=O)c3ccc([N+](=O)[O-])o3)n(CCSC)c2cc1OC CSC[*:1] COc1cc2s/c(=N\C(=O)c3ccc(o3)[N+](=O)[O-])n(C[*:1])c2cc1OC
COc1cc2s/c(=N\C(=O)c3ccc([N+](=O)[O-])o3)n(CCSC)c2cc1OC O=[N+]([O-])[*:1] COc1cc2s/c(=N\C(=O)c3ccc(o3)[*:1])n(CCSC)c2cc1OC
COc1cc2s/c(=N\C(=O)c3ccc([N+](=O)[O-])o3)n(CCSC)c2cc1OC O=[N+]([O-])c1ccc(o1)[*:1] COc1cc2s/c(=N\C(=O)[*:1])n(CCSC)c2cc1OC
COc1cc2s/c(=N\C(=O)c3ccc([N+](=O)[O-])o3)n(CCSC)c2cc1OC CSCC[*:1] COc1cc2s/c(=N\C(=O)c3ccc(o3)[N+](=O)[O-])n(c2cc1OC)[*:1]
CCc1nnc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)o1 FC(F)[*:1] CCc1nnc(CSc2nnc(o2)-c2ccc(cc2)O[*:1])o1
CCc1nnc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)o1 CCc1nnc(C[*:1])o1 FC(F)Oc1ccc(cc1)-c1nnc(o1)S[*:1]
CCc1nnc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)o1 FC(F)O[*:1] CCc1nnc(CSc2nnc(o2)-c2ccc(cc2)[*:1])o1
CCc1nnc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)o1 CCc1nnc(o1)[*:1] FC(F)Oc1ccc(cc1)-c1nnc(o1)SC[*:1]
CCC[C@H]1C[C@H]1NC(=O)c1ccc2c([O-])n(CC)c(=S)nc2c1 CCC[*:1] CCn1c([O-])c2ccc(cc2nc1=S)C(=O)N[C@@H]1C[C@@H]1[*:1]
COc1ccc(N2CCN(CC(=O)NCc3nc4ccccc4o3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])NCc1nc2ccccc2o1
COc1ccc(N2CCN(CC(=O)NCc3nc4ccccc4o3)C2=O)cc1 c1ccc2oc(nc2c1)[*:1] COc1ccc(cc1)N1CCN(CC(=O)NC[*:1])C1=O
O=C([O-])CSCc1nnnn1-c1ccc([N+](=O)[O-])cc1 O=C([O-])CSC[*:1] O=[N+]([O-])c1ccc(cc1)-n1nnnc1[*:1]
O=C([O-])CSCc1nnnn1-c1ccc([N+](=O)[O-])cc1 O=C([O-])C[*:1] O=[N+]([O-])c1ccc(cc1)-n1nnnc1CS[*:1]
O=C([O-])CSCc1nnnn1-c1ccc([N+](=O)[O-])cc1 O=C([O-])[*:1] O=[N+]([O-])c1ccc(cc1)-n1nnnc1CSC[*:1]
O=C([O-])CSCc1nnnn1-c1ccc([N+](=O)[O-])cc1 O=C([O-])CS[*:1] O=[N+]([O-])c1ccc(cc1)-n1nnnc1C[*:1]
O=C([O-])CSCc1nnnn1-c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C([O-])CSCc1nnnn1-c1ccc(cc1)[*:1]
COC(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2sc(C)nc2C)C3)nc1 Cc1nc(C)c(s1)C(=O)N[*:1] COC(=O)c1ccc(nc1)-c1cccc2C[C@@H](C[*:1])Oc21
COC(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2sc(C)nc2C)C3)nc1 COC(=O)[*:1] Cc1nc(C)c(s1)C(=O)NC[C@@H]1Cc2cccc(-c3ccc(cn3)[*:1])c2O1
COC(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2sc(C)nc2C)C3)nc1 Cc1nc(C)c(s1)[*:1] COC(=O)c1ccc(nc1)-c1cccc2C[C@@H](CNC(=O)[*:1])Oc21
COC(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2sc(C)nc2C)C3)nc1 COC(=O)c1ccc(nc1)[*:1] Cc1nc(C)c(s1)C(=O)NC[C@@H]1Cc2cccc(c2O1)[*:1]
OCCOc1ccc(Nc2nnc(-c3ccccc3)s2)cc1 OCCO[*:1] c1ccc(cc1)-c1nnc(Nc2ccc(cc2)[*:1])s1
OCCOc1ccc(Nc2nnc(-c3ccccc3)s2)cc1 OCC[*:1] c1ccc(cc1)-c1nnc(Nc2ccc(cc2)O[*:1])s1
OCCOc1ccc(Nc2nnc(-c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] OCCOc1ccc(cc1)Nc1nnc(s1)[*:1]
Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)O)C2)c(Cl)n1 C[C@@H](O)[*:1] Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C2)[*:1])c(Cl)n1
Cc1n[nH]c2c1[C@@H](c1ccc(N(C)C)c(Br)c1)C1=C(COC1=O)N2 CN(C)[*:1] Cc1n[nH]c2NC3COC(=O)C=3[C@H](c3ccc(c(Br)c3)[*:1])c12
Cc1ccc(N2C[C@H](C)N(C(=O)c3ccc4oc(C)cc4c3)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc2cc(ccc2o1)C(=O)N1CC(=O)N(C[C@@H]1C)[*:1]
C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1Cc1cccnc1 c1cncc(c1)C[*:1] C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1[*:1]
C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1Cc1cccnc1 c1cncc(c1)[*:1] C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1C[*:1]
C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1Cc1cccnc1 C[C@@H](Cl)[*:1] Clc1cc2nc(n(Cc3cccnc3)c2cc1Cl)[*:1]
O=C(COc1ccc2c(c1)OC(=O)[C@@H](c1ccccc1)C2)NCCc1c[nH]c[nH+]1 c1ccc(cc1)[*:1] O=C(COc1ccc2C[C@H](C(=O)Oc2c1)[*:1])NCCc1c[nH]c[nH+]1
O=C(C1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)C[C@@H]3C=CCC3)[nH]c(=O)c2C1 C1CCC(C1)[*:1] O=C(C[C@@H]1C=CCC1)N1CCCC[C@@H]1c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
Cc1cc(C(=O)NCc2cccc(NC(C)C)c2)c(F)cc1F CC(C)N[*:1] Cc1cc(C(=O)NCc2cccc(c2)[*:1])c(F)cc1F
Cc1cc(C(=O)NCc2cccc(NC(C)C)c2)c(F)cc1F CC(C)[*:1] Cc1cc(C(=O)NCc2cccc(c2)N[*:1])c(F)cc1F
O=C(NCc1ccccc1)c1ccc(-c2cccc(Cl)c2Cl)o1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(o1)-c1cccc(Cl)c1Cl
O=C(NCc1ccccc1)c1ccc(-c2cccc(Cl)c2Cl)o1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(o1)-c1cccc(Cl)c1Cl
Cc1cccc(C2=CCN(C(=O)/C=C/c3ccc(C(N)=O)cc3)CC2)c1 NC(=O)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)/C=C/c1ccc(cc1)[*:1]
Cc1cccc(C2=CCN(C(=O)/C=C/c3ccc(C(N)=O)cc3)CC2)c1 Cc1cccc(c1)[*:1] NC(=O)c1ccc(/C=C/C(=O)N2CC=C(CC2)[*:1])cc1
O=C(NCCc1cc(Br)ccc1F)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1cc(Br)ccc1F)[C@@H](O)[*:1]
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)cc2)C2=C([O-])CCCC2=N1 O=C(OC[C@H]1CCCO1)[*:1] CC1N=C2CCCC([O-])=C2[C@H](C=1[*:1])c1ccc(C)cc1
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)cc2)C2=C([O-])CCCC2=N1 C1CO[C@H](C1)[*:1] CC1N=C2CCCC([O-])=C2[C@H](C=1C(=O)OC[*:1])c1ccc(C)cc1
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)cc2)C2=C([O-])CCCC2=N1 C1CO[C@H](C1)C[*:1] CC1N=C2CCCC([O-])=C2[C@H](C=1C(=O)O[*:1])c1ccc(C)cc1
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)cc2)C2=C([O-])CCCC2=N1 Cc1ccc(cc1)[*:1] CC1N=C2CCCC([O-])=C2[C@@H](C=1C(=O)OC[C@H]1CCCO1)[*:1]
O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 Fc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1
O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 Fc1ccccc1OC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1)[*:1]
O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 Fc1ccccc1O[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1
CCc1nn(C)cc1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C)c1 CC(C)[*:1] CCc1nn(C)cc1CNC(=O)C(=O)Nc1ccc(O[*:1])c(C)c1
CCc1nn(C)cc1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C)c1 CC(C)O[*:1] CCc1nn(C)cc1CNC(=O)C(=O)Nc1ccc(c(C)c1)[*:1]
CCc1nn(C)cc1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C)c1 CCc1nn(C)cc1[*:1] Cc1cc(ccc1OC(C)C)NC(=O)C(=O)NC[*:1]
CC(=O)Nc1cccc(NCc2nc(C3CC3)no2)c1 CC(=O)N[*:1] c1cc(cc(c1)[*:1])NCc1nc(no1)C1CC1
CC(=O)Nc1cccc(NCc2nc(C3CC3)no2)c1 C1CC1[*:1] CC(=O)Nc1cccc(c1)NCc1nc(no1)[*:1]
C/[NH+]=C(/NCc1nc(C)no1)N1CCC[C@H](C)C1 Cc1noc(n1)[*:1] C/[NH+]=C(/NC[*:1])N1CCC[C@H](C)C1
COc1ccc(CN2CCOC[C@H]2CC(C)C)cc1O CC(C)[*:1] COc1ccc(cc1O)CN1CCOC[C@H]1C[*:1]
COc1ccc(CN2CCOC[C@H]2CC(C)C)cc1O CC(C)C[*:1] COc1ccc(cc1O)CN1CCOC[C@@H]1[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)N[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCCc2ccccc2)cc1 CC[C@@H](C)[*:1] O=C(NCCc1ccccc1)Nc1ccc(cc1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCCc2ccccc2)cc1 CC[C@@H](C)NC(=O)[*:1] O=C(NCCc1ccccc1)Nc1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)NCC[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)NC[*:1]
CCC(CC)[C@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)C1 CCC(CC)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)N1CC[C@@H](C1)[*:1]
CCC(CC)[C@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)C1 CN(C)C(=O)[*:1] CCC(CC)[C@H]1CCN(C1)C(=O)Nc1ccc(F)c(c1)[*:1]
O=C(CCCNC(=O)c1cccs1)NC[C@@]1(O)CCSC1 c1csc(c1)[*:1] O=C(CCCNC(=O)[*:1])NC[C@@]1(O)CCSC1
CC(C)(C)[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccccc1 CC(C)(C)[*:1] CS(=O)(=O)NCc1ccc(o1)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)(C)[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccccc1 CS(=O)(=O)NC[*:1] CC(C)(C)[C@@H](NC(=O)c1ccc(o1)[*:1])c1ccccc1
CC(C)(C)[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccccc1 CS(=O)(=O)N[*:1] CC(C)(C)[C@@H](NC(=O)c1ccc(C[*:1])o1)c1ccccc1
CC(C)(C)[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)[*:1]
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1 CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1C)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
C/C(=N\NC(=O)[C@@H]1C=C(c2ccc(Cl)cc2)N=N1)c1cccs1 Clc1ccc(cc1)[*:1] C/C(=N\NC(=O)[C@@H]1C=C(N=N1)[*:1])c1cccs1
C/C(=N\NC(=O)[C@@H]1C=C(c2ccc(Cl)cc2)N=N1)c1cccs1 c1csc(c1)[*:1] CC(=NNC(=O)[C@@H]1C=C(N=N1)c1ccc(Cl)cc1)[*:1]
Nc1nnc(COc2ccc3ccccc3c2)s1 Nc1nnc(s1)[*:1] c1ccc2cc(ccc2c1)OC[*:1]
CCOc1ccc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1OCC c1ccc2c(c[nH]c2c1)[*:1] CCOc1ccc(cc1OCC)C(=O)N1CCN(CC1)C(=O)C[*:1]
CCOc1ccc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)N1CCN(CC1)C(=O)Cc1c[nH]c2ccccc12
CCOc1ccc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)N1CCN(CC1)C(=O)Cc1c[nH]c2ccccc12
CCOc1ccc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1OCC c1ccc2c(c[nH]c2c1)C[*:1] CCOc1ccc(cc1OCC)C(=O)N1CCN(CC1)C(=O)[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(c(F)c1)[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 C1CO[C@@H](C1)[*:1] C[C@@H](OC[*:1])C(=O)Nc1ccc(c(F)c1)-n1cncn1
C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 C1CO[C@@H](C1)CO[*:1] C[C@@H](C(=O)Nc1ccc(c(F)c1)-n1cncn1)[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 C1CO[C@@H](C1)C[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(c(F)c1)-n1cncn1
C[C@@H](O)C(=O)N1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 FC(F)(F)[*:1] C[C@@H](O)C(=O)N1CCN(CC1)Cc1ccc(F)cc1[*:1]
C[C@@H](O)C(=O)N1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 C[C@@H](O)[*:1] O=C(N1CCN(CC1)Cc1ccc(F)cc1C(F)(F)F)[*:1]
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
C[NH+](C)CC(=O)NNC(=O)c1ccc(C2CCCCC2)cc1 C1CCC(CC1)[*:1] C[NH+](C)CC(=O)NNC(=O)c1ccc(cc1)[*:1]
CC[C@@](C)([NH3+])C(=O)Nc1ccccc1S(=O)(=O)CC CCS(=O)(=O)[*:1] CC[C@@](C)([NH3+])C(=O)Nc1ccccc1[*:1]
COc1ccc(/C=C/CC[NH2+]C(C)(C)C)cc1F CC(C)(C)[*:1] COc1ccc(/C=C/CC[NH2+][*:1])cc1F
CC(C)(NC(=O)c1cccc(Cl)c1)/C(N)=N/OCC(=O)N1CCCC1 Clc1cccc(c1)[*:1] CC(C)(NC(=O)[*:1])/C(N)=N/OCC(=O)N1CCCC1
CC(C)(NC(=O)c1cccc(Cl)c1)/C(N)=N/OCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)(NC(=O)c1cccc(Cl)c1)/C(N)=N/OC[*:1]
CC(C)(NC(=O)c1cccc(Cl)c1)/C(N)=N/OCC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 CC(C)(NC(=O)c1cccc(Cl)c1)/C(N)=N/O[*:1]
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 Cc1noc(C)c1[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)N[C@H](C)c1ccc2CCCCc2c1
COC(=O)c1ccccc1N[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O Cc1cccc(C)c1[*:1] COC(=O)c1ccccc1N[C@H]1CC(=O)N(C1=O)[*:1]
COC(=O)c1ccccc1N[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O COC(=O)[*:1] Cc1cccc(C)c1N1C(=O)C[C@H](Nc2ccccc2[*:1])C1=O
CN(C)c1cccc(C(=O)N2CCC[C@@H]2c2ccnc(-c3ccccc3)n2)c1 CN(C)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@@H]1c1ccnc(n1)-c1ccccc1
CN(C)c1cccc(C(=O)N2CCC[C@@H]2c2ccnc(-c3ccccc3)n2)c1 CN(C)c1cccc(c1)[*:1] O=C(N1CCC[C@@H]1c1ccnc(n1)-c1ccccc1)[*:1]
CN(C)c1cccc(C(=O)N2CCC[C@@H]2c2ccnc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] CN(C)c1cccc(c1)C(=O)N1CCC[C@@H]1c1ccnc(n1)[*:1]
O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(c1)[*:1]
Cc1cc([N-]S(=O)(=O)N(C)C(C)C)ncc1Br CC(C)[*:1] Cc1cc(ncc1Br)[N-]S(=O)(=O)N(C)[*:1]
Cc1ccccc1Sc1cncc(C(=O)[O-])n1 O=C([O-])[*:1] Cc1ccccc1Sc1cncc(n1)[*:1]
Cc1cc(C)c2oc(=O)cc(CN3CCN(c4ccccc4)CC3)c2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2oc(=O)cc(CN3CCN(CC3)[*:1])c2c1
Cc1ncsc1CCOC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] Cc1ncsc1CCOC(=O)[C@H]1CC(=O)N(C1)C[*:1]
Cc1ncsc1CCOC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] Cc1ncsc1CCOC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ncsc1CCOC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 Cc1ncsc1C[*:1] O=C(OC[*:1])[C@H]1CC(=O)N(C1)CC(F)(F)F
Cc1ncsc1CCOC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 Cc1ncsc1[*:1] O=C(OCC[*:1])[C@H]1CC(=O)N(C1)CC(F)(F)F
Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(C)s2)C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](Sc1nnc(C)s1)[*:1]
Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(C)s2)C(C)C)c1 Cc1nnc(s1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](S[*:1])C(C)C
Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(C)s2)C(C)C)c1 Cc1nnc(S[*:1])s1 Cc1ccc(C)c(c1)NC(=O)[C@H](C(C)C)[*:1]
CCO[C@H](C)[C@H](C=C(C)C)[NH2+]C CCO[*:1] C[NH2+][C@@H](C=C(C)C)[C@@H](C)[*:1]
CCO[C@H](C)[C@H](C=C(C)C)[NH2+]C CC(C)=C[*:1] CCO[C@H](C)[C@H]([NH2+]C)[*:1]
Cc1cc2nc(COc3ccc(Cl)cc3NC(=O)COc3ccc(C)c(C)c3)cc(=O)n2o1 Cc1ccc(cc1C)O[*:1] Cc1cc2nc(cc(=O)n2o1)COc1ccc(Cl)cc1NC(=O)C[*:1]
Cc1cc2nc(COc3ccc(Cl)cc3NC(=O)COc3ccc(C)c(C)c3)cc(=O)n2o1 Cc1ccc(cc1C)[*:1] Cc1cc2nc(cc(=O)n2o1)COc1ccc(Cl)cc1NC(=O)CO[*:1]
Cc1cc2nc(COc3ccc(Cl)cc3NC(=O)COc3ccc(C)c(C)c3)cc(=O)n2o1 Cc1ccc(cc1C)OC[*:1] Cc1cc2nc(cc(=O)n2o1)COc1ccc(Cl)cc1NC(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)c3cc(F)ccc3O)CC2)cc1 Oc1ccc(F)cc1[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)c3cc(F)ccc3O)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc(F)ccc1O)N1CCN(CC1)C(=O)[*:1]
Cc1[nH]nc(C(N)=O)c1NC(=O)CCC(F)(F)F FC(F)(F)[*:1] Cc1[nH]nc(C(N)=O)c1NC(=O)CC[*:1]
Cc1[nH]nc(C(N)=O)c1NC(=O)CCC(F)(F)F FC(F)(F)C[*:1] Cc1[nH]nc(C(N)=O)c1NC(=O)C[*:1]
Cc1[nH]nc(C(N)=O)c1NC(=O)CCC(F)(F)F FC(F)(F)CC[*:1] Cc1[nH]nc(C(N)=O)c1NC(=O)[*:1]
Cc1[nH]nc(C(N)=O)c1NC(=O)CCC(F)(F)F NC(=O)[*:1] Cc1[nH]nc(c1NC(=O)CCC(F)(F)F)[*:1]
Cc1c(CCNC(=O)C[C@H](C)Cc2ccc(Cl)cc2)cnn1C Clc1ccc(cc1)[*:1] Cc1c(cnn1C)CCNC(=O)C[C@H](C)C[*:1]
Cc1c(CCNC(=O)C[C@H](C)Cc2ccc(Cl)cc2)cnn1C Cc1c(cnn1C)[*:1] C[C@@H](CC(=O)NCC[*:1])Cc1ccc(Cl)cc1
CCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1N CC(C)[*:1] CCN(S(=O)(=O)c1ccc(Cl)cc1N)[*:1]
CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)C1 c1nnnn1[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc(c(C)c1)[*:1]
O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 O=S(=O)(N1CCC1)[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(F)c(c1)[*:1]
COCCCN1C(=O)[C@@H]2CCCCN2C(=O)[C@H]1C COCC[*:1] C[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1C[*:1]
COCCCN1C(=O)[C@@H]2CCCCN2C(=O)[C@H]1C COC[*:1] C[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1CC[*:1]
COCCCN1C(=O)[C@@H]2CCCCN2C(=O)[C@H]1C COCCC[*:1] C[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1[*:1]
C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC[C@]2(C)CCCO2)cc1 C[C@@]1(CCCO1)[*:1] C[NH2+][C@@H](C)c1ccc(cc1)S(=O)(=O)NC[*:1]
C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC[C@]2(C)CCCO2)cc1 C[C@]1(CCCO1)C[*:1] C[NH2+][C@@H](C)c1ccc(cc1)S(=O)(=O)N[*:1]
C[NH2+][C@@]1(C(=O)OC)CCC[C@H](Sc2ccc(F)cc2)C1 COC(=O)[*:1] C[NH2+][C@]1(CCC[C@@H](C1)Sc1ccc(F)cc1)[*:1]
CC(=O)N1CCN(c2nc(SCc3ccc(C(=O)NCc4ccccc4)cc3)nc(C)c2C)CC1 c1ccc(cc1)C[*:1] CC(=O)N1CCN(CC1)c1nc(nc(C)c1C)SCc1ccc(cc1)C(=O)N[*:1]
CC(=O)N1CCN(c2nc(SCc3ccc(C(=O)NCc4ccccc4)cc3)nc(C)c2C)CC1 O=C(NCc1ccccc1)[*:1] CC(=O)N1CCN(CC1)c1nc(nc(C)c1C)SCc1ccc(cc1)[*:1]
CC(=O)N1CCN(c2nc(SCc3ccc(C(=O)NCc4ccccc4)cc3)nc(C)c2C)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)c1nc(nc(C)c1C)SCc1ccc(cc1)C(=O)NC[*:1]
CC(=O)N1CCN(c2nc(SCc3ccc(C(=O)NCc4ccccc4)cc3)nc(C)c2C)CC1 CC(=O)N1CCN(CC1)[*:1] Cc1nc(nc(c1C)[*:1])SCc1ccc(cc1)C(=O)NCc1ccccc1
O=C1CC2(CCN(C(=O)c3cc(C4CC4)no3)CC2)CN1Cc1ccccc1 c1c(noc1[*:1])C1CC1 O=C1CC2(CCN(CC2)C(=O)[*:1])CN1Cc1ccccc1
O=C1CC2(CCN(C(=O)c3cc(C4CC4)no3)CC2)CN1Cc1ccccc1 C1CC1[*:1] O=C1CC2(CCN(CC2)C(=O)c2cc(no2)[*:1])CN1Cc1ccccc1
O=C1CC2(CCN(C(=O)c3cc(C4CC4)no3)CC2)CN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1CC2(CCN(CC2)C(=O)c2cc(no2)C2CC2)CN1C[*:1]
O=C1CC2(CCN(C(=O)c3cc(C4CC4)no3)CC2)CN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1cc(no1)C1CC1)N1CCC2(CC1)CC(=O)N(C2)[*:1]
Cc1nc[nH]c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1nc[nH]c1C(=O)N1CCN(CC1)C(c1ccccc1)[*:1]
CCC(CC)Oc1cc(OC)ccc1CCl CCC(CC)[*:1] COc1ccc(CCl)c(c1)O[*:1]
CCC[NH2+][C@@H](c1ccn(Cc2cccc(C)c2)c1)C1CC1 Cc1cccc(c1)[*:1] CCC[NH2+][C@@H](c1ccn(c1)C[*:1])C1CC1
CCC[NH2+][C@@H](c1ccn(Cc2cccc(C)c2)c1)C1CC1 C1CC1[*:1] CCC[NH2+][C@@H](c1ccn(c1)Cc1cccc(C)c1)[*:1]
CCC[NH2+][C@@H](c1ccn(Cc2cccc(C)c2)c1)C1CC1 CCC[*:1] Cc1cccc(c1)Cn1ccc(c1)[C@H]([NH2+][*:1])C1CC1
CCOC(=O)[C@H](C)c1nc([C@H]2CN(C)CCO2)no1 CCOC(=O)[*:1] C[C@H](c1nc(no1)[C@H]1CN(C)CCO1)[*:1]
CC(C)(C#N)NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)C[*:1] CC(C)(C#N)NC(=O)c1cc(O[*:1])c2ccccc2n1
CC(C)(C#N)NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 CC(C)(C#N)[*:1] O=C(N[*:1])c1cc(OCC(F)(F)F)c2ccccc2n1
CC(C)(C#N)NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)CO[*:1] CC(C)(C#N)NC(=O)c1cc(c2ccccc2n1)[*:1]
CC(C)(C#N)NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)[*:1] CC(C)(C#N)NC(=O)c1cc(OC[*:1])c2ccccc2n1
CC(C)(C#N)NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 CC(C)(C#N)NC(=O)[*:1] FC(F)(F)COc1cc(nc2ccccc12)[*:1]
Cc1c(Cl)cccc1NC(=O)CNc1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] Cc1c(Cl)cccc1NC(=O)CNc1ccc(cc1)NC(=O)[*:1]
Cc1c(Cl)cccc1NC(=O)CNc1ccc(NC(=O)C(C)C)cc1 Cc1c(Cl)cccc1[*:1] CC(C)C(=O)Nc1ccc(cc1)NCC(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)CNc1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] Cc1c(Cl)cccc1NC(=O)CNc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1Cl c1cc2OCOc2cc1[*:1] Cc1ccc(cc1Cl)NC(=O)COCc1cc(on1)[*:1]
Cc1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(COCc1cc(on1)-c1ccc2OCOc2c1)N[*:1]
O=C(CN1CCN(c2ccc(Cl)cn2)CC1)N[C@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)c1ccc(Cl)cn1)N[C@H](c1ccccc1)[*:1]
O=C(CN1CCN(c2ccc(Cl)cn2)CC1)N[C@H](c1ccccc1)C1CC1 Clc1ccc(nc1)[*:1] O=C(CN1CCN(CC1)[*:1])N[C@H](c1ccccc1)C1CC1
O=C(CN1CCN(c2ccc(Cl)cn2)CC1)N[C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)c1ccc(Cl)cn1)N[C@H](C1CC1)[*:1]
Cc1ccc([C@@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)s1 Cc1ccc(s1)[*:1] O=C1C[C@H](c2c(O1)c1ccccc1[nH]c2=O)[*:1]
Cc1cnc(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)cn1 Cc1cnc(cn1)[*:1] Cc1[nH]c2ccccc2c1-c1csc(n1)NC(=O)[*:1]
COc1cccc(C[C@H]2CCCN2C(=O)c2occc2C)c1 Cc1ccoc1[*:1] COc1cccc(c1)C[C@H]1CCCN1C(=O)[*:1]
CCN(Cc1n[nH]c(=O)[nH]1)c1cc(C)cc(C)c1 O=c1[nH]nc([nH]1)[*:1] CCN(C[*:1])c1cc(C)cc(C)c1
CCC(=O)Nc1cccc(NCc2cnc(-c3cccs3)s2)c1 c1csc(c1)[*:1] CCC(=O)Nc1cccc(c1)NCc1cnc(s1)[*:1]
CCC(=O)Nc1cccc(NCc2cnc(-c3cccs3)s2)c1 CCC(=O)N[*:1] c1cc(cc(c1)[*:1])NCc1cnc(s1)-c1cccs1
Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(Cl)cc2)o1 Cc1ccc(o1)[*:1] CC(C)(C)NC(=O)[C@@H](N(C(=O)c1csnn1)c1ccc(Cl)cc1)[*:1]
Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(Cl)cc2)o1 CC(C)(C)NC(=O)[*:1] Cc1ccc(o1)[C@@H](N(C(=O)c1csnn1)c1ccc(Cl)cc1)[*:1]
Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(Cl)cc2)o1 c1snnc1[*:1] Cc1ccc(o1)[C@@H](C(=O)NC(C)(C)C)N(C(=O)[*:1])c1ccc(Cl)cc1
Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(Cl)cc2)o1 CC(C)(C)[*:1] Cc1ccc(o1)[C@@H](C(=O)N[*:1])N(C(=O)c1csnn1)c1ccc(Cl)cc1
Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] Cc1ccc(o1)[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)[*:1]
Cc1csc([C@H](C)NC(=O)c2cc(F)ccc2O)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)c1cc(F)ccc1O)[*:1]
O=C(/C=C/SCc1ccco1)N(C[C@H]1CCCO1)c1ccncc1 c1coc(c1)C[*:1] O=C(/C=C/S[*:1])N(C[C@H]1CCCO1)c1ccncc1
O=C(/C=C/SCc1ccco1)N(C[C@H]1CCCO1)c1ccncc1 C1CO[C@H](C1)[*:1] O=C(/C=C/SCc1ccco1)N(C[*:1])c1ccncc1
O=C(/C=C/SCc1ccco1)N(C[C@H]1CCCO1)c1ccncc1 C1CO[C@H](C1)C[*:1] O=C(/C=C/SCc1ccco1)N(c1ccncc1)[*:1]
O=C(/C=C/SCc1ccco1)N(C[C@H]1CCCO1)c1ccncc1 c1cc(ccn1)[*:1] O=C(/C=C/SCc1ccco1)N(C[C@H]1CCCO1)[*:1]
O=C(/C=C/SCc1ccco1)N(C[C@H]1CCCO1)c1ccncc1 c1coc(c1)[*:1] O=C(/C=C/SC[*:1])N(C[C@H]1CCCO1)c1ccncc1
O=C(/C=C/SCc1ccco1)N(C[C@H]1CCCO1)c1ccncc1 c1coc(c1)CS[*:1] O=C(C=C[*:1])N(C[C@H]1CCCO1)c1ccncc1
COc1ccc2nc(N3CCC[C@H](C(=O)NCc4ccccc4OC(F)(F)F)C3)sc2c1 FC(F)(F)[*:1] COc1ccc2nc(sc2c1)N1CCC[C@@H](C1)C(=O)NCc1ccccc1O[*:1]
COc1ccc2nc(N3CCC[C@H](C(=O)NCc4ccccc4OC(F)(F)F)C3)sc2c1 FC(F)(F)O[*:1] COc1ccc2nc(sc2c1)N1CCC[C@@H](C1)C(=O)NCc1ccccc1[*:1]
CNC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 CNC(=O)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CNC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OC)c(OC)c3)CC2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(C2)[*:1])cc1OC
Cc1cnc2c(S(=O)(=O)N3CCN(Cc4ccc(C#N)o4)CC3)cccc2c1 N#Cc1ccc(o1)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1cnc2c(S(=O)(=O)N3CCN(Cc4ccc(C#N)o4)CC3)cccc2c1 N#Cc1ccc(C[*:1])o1 Cc1cnc2c(cccc2c1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(I)c3)c(Cl)cc12 Ic1cccc(c1)[*:1] Cc1cc(=O)oc2cc(OCC(=O)N[*:1])c(Cl)cc12
C[C@@H](c1ccncc1)[C@@H](Cl)C(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](c1ccncc1)[C@@H](Cl)C(C)(C)[*:1]
CN(C)C(=O)CNc1nc2c(Br)cccn2n1 CN(C)C(=O)[*:1] Brc1cccn2nc(nc12)NC[*:1]
CN(CCOCC1CC1)c1cccc(F)c1C(N)=[NH2+] C1CC1CO[*:1] CN(CC[*:1])c1cccc(F)c1C(N)=[NH2+]
CN(CCOCC1CC1)c1cccc(F)c1C(N)=[NH2+] C1CC1C[*:1] CN(CCO[*:1])c1cccc(F)c1C(N)=[NH2+]
CN(CCOCC1CC1)c1cccc(F)c1C(N)=[NH2+] C1CC1[*:1] CN(CCOC[*:1])c1cccc(F)c1C(N)=[NH2+]
CN(CCOCC1CC1)c1cccc(F)c1C(N)=[NH2+] C1CC1COC[*:1] CN(C[*:1])c1cccc(F)c1C(N)=[NH2+]
CN(CCOCC1CC1)c1cccc(F)c1C(N)=[NH2+] NC(=[NH2+])[*:1] CN(CCOCC1CC1)c1cccc(F)c1[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)C1CCC1 C1CC(C1)[*:1] COc1ccccc1C[C@@H](C)N(C)C(=O)[*:1]
CC(C)[C@@H](Nc1nc2ccccc2s1)n1nnc2ccccc21 CC(C)[*:1] c1ccc2sc(nc2c1)N[C@@H](n1nnc2ccccc21)[*:1]
COC(=O)CS[C@@H](C)C(=O)Nc1nnc(-c2ccccc2C)s1 COC(=O)CS[*:1] Cc1ccccc1-c1nnc(NC(=O)[C@H](C)[*:1])s1
COC(=O)CS[C@@H](C)C(=O)Nc1nnc(-c2ccccc2C)s1 Cc1ccccc1[*:1] COC(=O)CS[C@@H](C)C(=O)Nc1nnc(s1)[*:1]
COC(=O)CS[C@@H](C)C(=O)Nc1nnc(-c2ccccc2C)s1 COC(=O)C[*:1] Cc1ccccc1-c1nnc(NC(=O)[C@H](C)S[*:1])s1
COC(=O)CS[C@@H](C)C(=O)Nc1nnc(-c2ccccc2C)s1 COC(=O)[*:1] Cc1ccccc1-c1nnc(NC(=O)[C@H](C)SC[*:1])s1
COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1Cl c1nc(oc1[*:1])C1CCC1 COc1cc(OC)c(cc1Cl)[N-]S(=O)(=O)c1ccc(s1)[*:1]
COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1Cl C1CC(C1)[*:1] COc1cc(OC)c(cc1Cl)[N-]S(=O)(=O)c1ccc(s1)-c1cnc(o1)[*:1]
CC(C)(C)c1cc(=O)n(-c2cccc(Cl)c2)[nH]1 CC(C)(C)[*:1] O=c1cc([nH]n1-c1cccc(Cl)c1)[*:1]
CNC(=O)[C@H]1CCCN(Cc2cnc(-c3ccc(C)o3)s2)C1 Cc1ccc(o1)[*:1] CNC(=O)[C@H]1CCCN(Cc2cnc(s2)[*:1])C1
CNC(=O)[C@H]1CCCN(Cc2cnc(-c3ccc(C)o3)s2)C1 CNC(=O)[*:1] Cc1ccc(o1)-c1ncc(CN2CCC[C@@H](C2)[*:1])s1
Cc1nn(-c2cc(Cl)ccc2Cl)nc1C(=O)[O-] O=C([O-])[*:1] Cc1nn(nc1[*:1])-c1cc(Cl)ccc1Cl
Cc1nc(S[C@@H](C)C(=O)N(C)Cc2ccccc2)n(C2CCCCC2)c1C c1ccc(cc1)C[*:1] Cc1nc(S[C@@H](C)C(=O)N(C)[*:1])n(c1C)C1CCCCC1
Cc1nc(S[C@@H](C)C(=O)N(C)Cc2ccccc2)n(C2CCCCC2)c1C c1ccc(cc1)[*:1] Cc1nc(S[C@@H](C)C(=O)N(C)C[*:1])n(c1C)C1CCCCC1
Cc1nc(S[C@@H](C)C(=O)N(C)Cc2ccccc2)n(C2CCCCC2)c1C C1CCC(CC1)[*:1] Cc1nc(S[C@@H](C)C(=O)N(C)Cc2ccccc2)n(c1C)[*:1]
COc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)CC1=O COc1ccccc1[*:1] O=C(NCCNC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccc(Cl)cc1Cl
COc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)CC1=O Clc1ccc(c(Cl)c1)[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)NCCNC(=O)[*:1]
Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C(C#N)=C(N)O2 c1ccc(cc1)[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c2c(=O)[nH]1)[*:1]
Cc1noc(C)c1CCCNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 Cc1noc(C)c1C[*:1] O=C(NCC[*:1])C(=O)Nc1cc(F)c(F)c(F)c1
Cc1noc(C)c1CCCNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])C(=O)Nc1cc(F)c(F)c(F)c1
CCOc1nc(Nc2cc([N+](=O)[O-])ccc2C)nc(OCC)n1 O=[N+]([O-])[*:1] CCOc1nc(nc(n1)OCC)Nc1cc(ccc1C)[*:1]
CCOc1nc(Nc2cc([N+](=O)[O-])ccc2C)nc(OCC)n1 CCO[*:1] CCOc1nc(nc(n1)[*:1])Nc1cc(ccc1C)[N+](=O)[O-]
O=C(CCC(F)(F)F)NCCc1cc(Br)ccc1F FC(F)(F)[*:1] O=C(CC[*:1])NCCc1cc(Br)ccc1F
O=C(CCC(F)(F)F)NCCc1cc(Br)ccc1F FC(F)(F)CC[*:1] O=C(NCCc1cc(Br)ccc1F)[*:1]
O=C(CCC(F)(F)F)NCCc1cc(Br)ccc1F FC(F)(F)C[*:1] O=C(C[*:1])NCCc1cc(Br)ccc1F
CC[C@@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)C[*:1]
CCc1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] c1cnc(nc1)[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN(C1)[*:1]
CCc1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])C(=O)NC[C@@H]1CCCN(C1)c1ncccn1
CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 O=C(N1CCOCC1)[*:1] CCC(C)(C)c1ccc(cc1)OCC(=O)Nc1cccc(c1)[*:1]
CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 CCC(C)(C)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1cccc(c1)C(=O)N1CCOCC1
CCOC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] CCOC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@@H]1c1ccccc1Cl CCOC(=O)[*:1] O=C1NC(C[NH+]2CCSCC2)=C([C@H](N1)c1ccccc1Cl)[*:1]
C[C@@H](Sc1ccc(Br)cc1N)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](Sc1ccc(Br)cc1N)C(=O)N[*:1]
CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 CC(=O)N[*:1] O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 C1CC1[*:1] CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
CCOc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccccc2)c1O c1ccc(cc1)S[*:1] CCOc1cc(/C=C(\C#N)C(N)=O)cc(C[*:1])c1O
CCOc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccccc2)c1O CCO[*:1] N#C/C(=C\c1cc(CSc2ccccc2)c(O)c(c1)[*:1])C(N)=O
CCOc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccccc2)c1O c1ccc(cc1)SC[*:1] CCOc1cc(/C=C(\C#N)C(N)=O)cc(c1O)[*:1]
CCOc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccccc2)c1O N#CC(=C[*:1])C(N)=O CCOc1cc(cc(CSc2ccccc2)c1O)[*:1]
CCOc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccccc2)c1O c1ccc(cc1)[*:1] CCOc1cc(/C=C(\C#N)C(N)=O)cc(CS[*:1])c1O
CCOc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccccc2)c1O NC(=O)[*:1] CCOc1cc(C=C(C#N)[*:1])cc(CSc2ccccc2)c1O
CCOC(=O)C1CCN(c2ncnc(NC(C)(C)C)c2[N+](=O)[O-])CC1 CC(C)(C)[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(N[*:1])c1[N+](=O)[O-]
CCOC(=O)C1CCN(c2ncnc(NC(C)(C)C)c2[N+](=O)[O-])CC1 CCOC(=O)[*:1] CC(C)(C)Nc1ncnc(c1[N+](=O)[O-])N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(c2ncnc(NC(C)(C)C)c2[N+](=O)[O-])CC1 CC(C)(C)N[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(c1[N+](=O)[O-])[*:1]
CCOC(=O)C1CCN(c2ncnc(NC(C)(C)C)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(NC(C)(C)C)c1[*:1]
O=C(c1csnn1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 c1snnc1[*:1] O=C(N1CCO[C@@H](C1)c1ccc(Cl)c(Cl)c1)[*:1]
Cc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C Fc1ccccc1[*:1] Cc1ccccc1N1CCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
Cc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C Cc1ccccc1[*:1] Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1nc1N(CCn12)[*:1]
Cc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C Fc1ccccc1C[*:1] Cc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
O=S(=O)(Nc1ccccc1)c1ccc(-c2ccn[nH]2)s1 c1ccc(cc1)[*:1] O=S(=O)(N[*:1])c1ccc(s1)-c1ccn[nH]1
O=S(=O)(Nc1ccccc1)c1ccc(-c2ccn[nH]2)s1 c1cc([nH]n1)[*:1] O=S(=O)(Nc1ccccc1)c1ccc(s1)[*:1]
Clc1ccc(C#CCSc2nnc(N3CCCC3)n2C2CC2)cc1 C1CC1[*:1] Clc1ccc(C#CCSc2nnc(N3CCCC3)n2[*:1])cc1
Clc1ccc(C#CCSc2nnc(N3CCCC3)n2C2CC2)cc1 Clc1ccc(cc1)[*:1] C(#C[*:1])CSc1nnc(N2CCCC2)n1C1CC1
Clc1ccc(C#CCSc2nnc(N3CCCC3)n2C2CC2)cc1 C1CCN(C1)[*:1] Clc1ccc(C#CCSc2nnc(n2C2CC2)[*:1])cc1
COc1ccc(-c2n[nH]cc2C(=O)Nc2nnc(C3CC3)s2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)C1CC1)c1c[nH]nc1[*:1]
COc1ccc(-c2n[nH]cc2C(=O)Nc2nnc(C3CC3)s2)cc1 C1CC1c1nnc(s1)[*:1] COc1ccc(cc1)-c1n[nH]cc1C(=O)N[*:1]
COc1ccc(-c2n[nH]cc2C(=O)Nc2nnc(C3CC3)s2)cc1 C1CC1[*:1] COc1ccc(cc1)-c1n[nH]cc1C(=O)Nc1nnc(s1)[*:1]
CCC(CC)N(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)[*:1] CCC(CC)N(C)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CCC(CC)N(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 CCC(CC)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)N(C)[*:1]
CCC(CC)N(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)NS(=O)(=O)[*:1] CCC(CC)N(C)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCc1ccc(F)cc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])N1CCCC[C@H]1c1nc(no1)-c1ccccc1
O=C(NCc1ccc(F)cc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)N1CCCC[C@H]1c1nc(no1)[*:1]
O=C(NCc1ccc(F)cc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])N1CCCC[C@H]1c1nc(no1)-c1ccccc1
CC(=O)Nc1cccc(NCc2c[nH]nc2-c2ccccc2F)c1C Fc1ccccc1[*:1] CC(=O)Nc1cccc(NCc2c[nH]nc2[*:1])c1C
CC(=O)Nc1cccc(NCc2c[nH]nc2-c2ccccc2F)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NCc1c[nH]nc1-c1ccccc1F
COCC[NH+]1CCC(CNC(=O)c2cccc(C#N)c2)CC1 COC[*:1] N#Cc1cccc(c1)C(=O)NCC1CC[NH+](CC1)C[*:1]
COCC[NH+]1CCC(CNC(=O)c2cccc(C#N)c2)CC1 COCC[*:1] N#Cc1cccc(c1)C(=O)NCC1CC[NH+](CC1)[*:1]
C=CCN(Cc1c[nH]nc1-c1cccs1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C=CCN(Cc1c[nH]nc1-c1cccs1)[*:1]
C=CCN(Cc1c[nH]nc1-c1cccs1)[C@@H]1CCS(=O)(=O)C1 C=CC[*:1] O=S1(=O)CC[C@H](C1)N(Cc1c[nH]nc1-c1cccs1)[*:1]
C=CCN(Cc1c[nH]nc1-c1cccs1)[C@@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] C=CCN(Cc1c[nH]nc1[*:1])[C@@H]1CCS(=O)(=O)C1
CCn1c(=O)oc2cc(NC(=O)Nc3ccccc3F)ccc21 Fc1ccccc1[*:1] CCn1c(=O)oc2cc(ccc21)NC(=O)N[*:1]
CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccccc3Cl)C[C@@H]12 Clc1ccccc1C[*:1] CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C[C@@H]12)[*:1]
CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3ccccc3Cl)C[C@@H]12 Clc1ccccc1[*:1] CN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C[C@@H]12)C[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(C[S@@](C)=O)c1 CC(C)NC(=O)[*:1] C[S@@](=O)Cc1cccc(c1)C(=O)Nc1ccccc1[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(C[S@@](C)=O)c1 CC(C)[*:1] C[S@@](=O)Cc1cccc(c1)C(=O)Nc1ccccc1C(=O)N[*:1]
O=C(CCc1ccccc1)Nc1ccc(F)cc1Cl c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1ccc(F)cc1Cl
CC[C@@H](C)NC(=O)Cc1csc(-c2ccoc2)n1 CC[C@@H](C)[*:1] O=C(Cc1csc(n1)-c1ccoc1)N[*:1]
CC[C@@H](C)NC(=O)Cc1csc(-c2ccoc2)n1 c1cc(co1)[*:1] CC[C@@H](C)NC(=O)Cc1csc(n1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)[*:1]
Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H]1CNC(=O)O[*:1]
O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](c2ccn[nH]2)C1 c1cc([nH]n1)[*:1] O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](C1)[*:1]
Cc1cc2c(c(/C=N/NC(=O)c3ccncc3)c1)O[C@@]1(C=C2)Oc2ccccc2C(=O)N1C O=C(NN=C[*:1])c1ccncc1 Cc1cc2C=C[C@@]3(Oc4ccccc4C(=O)N3C)Oc2c(c1)[*:1]
Cc1cc2c(c(/C=N/NC(=O)c3ccncc3)c1)O[C@@]1(C=C2)Oc2ccccc2C(=O)N1C c1cc(ccn1)[*:1] Cc1cc2C=C[C@@]3(Oc4ccccc4C(=O)N3C)Oc2c(/C=N/NC(=O)[*:1])c1
CCc1ccc(CCC[C@H](O)C(C)C)nc1 CC(C)[*:1] CCc1ccc(CCC[C@H](O)[*:1])nc1
CCc1ccc(CCC[C@H](O)C(C)C)nc1 CC(C)[C@@H](O)[*:1] CCc1ccc(CCC[*:1])nc1
CC(C)n1ccnc1CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 CC(C)n1ccnc1[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)CSC[*:1]
CC(C)n1ccnc1CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] CC(C)n1ccnc1CSCc1coc(n1)-c1ccc(cc1)[*:1]
CC(C)n1ccnc1CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 CC(C)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)CSCc1nccn1[*:1]
CC(=O)[C@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 CC(=O)[*:1] O=C(c1ccccc1)[C@@H]1[C@@H](N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12)[*:1]
CC(=O)[C@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 O=C(c1ccccc1)[*:1] CC(=O)[C@H]1[C@@H]([C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12)[*:1]
CC(=O)[C@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 c1ccc(cc1)[*:1] CC(=O)[C@H]1[C@@H](C(=O)[*:1])[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12
Cc1ccnc(-c2ccc(NC(=O)NC[C@@H]3CCO[C@H]3C(C)C)cc2)n1 CC(C)[*:1] Cc1ccnc(n1)-c1ccc(cc1)NC(=O)NC[C@@H]1CCO[C@@H]1[*:1]
Cc1ccnc(-c2ccc(NC(=O)NC[C@@H]3CCO[C@H]3C(C)C)cc2)n1 Cc1ccnc(n1)[*:1] CC(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(cc1)[*:1]
O=C(NNc1cccc([N+](=O)[O-])c1)N[C@H]1CCSc2ccc(F)cc21 O=[N+]([O-])[*:1] O=C(NNc1cccc(c1)[*:1])N[C@H]1CCSc2ccc(F)cc21
Brc1csc(C[NH2+]Cc2ccc(C3CC3)cc2)c1 Brc1csc(c1)[*:1] c1cc(ccc1C[NH2+]C[*:1])C1CC1
Brc1csc(C[NH2+]Cc2ccc(C3CC3)cc2)c1 C1CC1[*:1] Brc1csc(c1)C[NH2+]Cc1ccc(cc1)[*:1]
O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(OC(F)F)c2ncccc12 FC(F)[*:1] O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(O[*:1])c2ncccc12
O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(OC(F)F)c2ncccc12 FC(F)O[*:1] O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(c2ncccc12)[*:1]
COc1ccc(/C=C/c2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1I O=[N+]([O-])[*:1] COc1ccc(/C=C/c2nc([O-])c(c(=O)[nH]2)[*:1])cc1I
CCC[C@H]1[C@H](C)CCCN1C(=O)CCS(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)CCS(=O)(=O)[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)CCS(=O)(=O)c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)S(=O)(=O)CCC(=O)N1CCC[C@@H](C)[C@@H]1[*:1]
Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N2CCOCC2)c1 Cc1ccc(F)cc1[*:1] O=C(c1cccc(c1)NS(=O)(=O)[*:1])N1CCOCC1
Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N2CCOCC2)c1 O=C(N1CCOCC1)[*:1] Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(c1)[*:1]
O=S(=O)(NCCOc1ccccc1)c1ccc(Cl)cc1C(F)(F)F c1ccc(cc1)O[*:1] O=S(=O)(NCC[*:1])c1ccc(Cl)cc1C(F)(F)F
O=S(=O)(NCCOc1ccccc1)c1ccc(Cl)cc1C(F)(F)F c1ccc(cc1)[*:1] O=S(=O)(NCCO[*:1])c1ccc(Cl)cc1C(F)(F)F
O=S(=O)(NCCOc1ccccc1)c1ccc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] O=S(=O)(NCCOc1ccccc1)c1ccc(Cl)cc1[*:1]
O=S(=O)(NCCOc1ccccc1)c1ccc(Cl)cc1C(F)(F)F c1ccc(cc1)OC[*:1] O=S(=O)(NC[*:1])c1ccc(Cl)cc1C(F)(F)F
Cn1ccc(CN2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)c1 Cn1ccc(c1)C[*:1] c1ccc2[nH+]c([nH]c2c1)N1CCCN(CC1)[*:1]
Cn1ccc(CN2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)c1 Cn1ccc(c1)[*:1] c1ccc2[nH+]c([nH]c2c1)N1CCCN(CC1)C[*:1]
COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=[NH+]/c3cc(C)ccc3F)oc12 C1CO[C@@H](C1)[*:1] COc1cccc2cc(C(=O)NC[*:1])/c(=[NH+]/c3cc(C)ccc3F)oc12
COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=[NH+]/c3cc(C)ccc3F)oc12 O=C(NC[C@@H]1CCCO1)[*:1] COc1cccc2cc(/c(=[NH+]/c3cc(C)ccc3F)oc12)[*:1]
COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=[NH+]/c3cc(C)ccc3F)oc12 C1CO[C@@H](C1)C[*:1] COc1cccc2cc(C(=O)N[*:1])/c(=[NH+]/c3cc(C)ccc3F)oc12
COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=[NH+]/c3cc(C)ccc3F)oc12 Cc1ccc(F)c(c1)[*:1] COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)c(=[NH+][*:1])oc12
CN(Cc1ccncc1)c1ncc(-c2cnccn2)c(-c2cccs2)n1 c1cc(ccn1)C[*:1] CN(c1ncc(-c2cnccn2)c(n1)-c1cccs1)[*:1]
CN(Cc1ccncc1)c1ncc(-c2cnccn2)c(-c2cccs2)n1 c1cc(ccn1)[*:1] CN(C[*:1])c1ncc(-c2cnccn2)c(n1)-c1cccs1
CN(Cc1ccncc1)c1ncc(-c2cnccn2)c(-c2cccs2)n1 c1cnc(cn1)[*:1] CN(Cc1ccncc1)c1ncc(c(n1)-c1cccs1)[*:1]
CN(Cc1ccncc1)c1ncc(-c2cnccn2)c(-c2cccs2)n1 c1csc(c1)[*:1] CN(Cc1ccncc1)c1ncc(-c2cnccn2)c(n1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)Nc1c(F)cccc1Br c1csc(c1)C[*:1] C[C@@H](NC(=O)Nc1c(F)cccc1Br)[*:1]
C[C@@H](Cc1cccs1)NC(=O)Nc1c(F)cccc1Br c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)Nc1c(F)cccc1Br
O=C(N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)c1ccc(=O)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)c1ccc(=O)n(n1)[*:1]
COc1cc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Br)C3=O)on1 Brc1ccccc1[*:1] COc1cc(CCC(=O)Oc2cc(C)c3C(=O)C(=C[*:1])Oc3c2)on1
COc1cc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Br)C3=O)on1 COc1cc(C[*:1])on1 Cc1cc(cc2O/C(=C\c3ccccc3Br)C(=O)c12)OC(=O)C[*:1]
COc1cc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Br)C3=O)on1 COc1cc(on1)[*:1] Cc1cc(cc2O/C(=C\c3ccccc3Br)C(=O)c12)OC(=O)CC[*:1]
COc1cc(CCC(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccccc2Br)C3=O)on1 COc1cc(CC[*:1])on1 Cc1cc(cc2O/C(=C\c3ccccc3Br)C(=O)c12)OC(=O)[*:1]
O=C(NCCCN1CCOCC1)Nc1nnc(-c2ccsc2)s1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])Nc1nnc(s1)-c1ccsc1
O=C(NCCCN1CCOCC1)Nc1nnc(-c2ccsc2)s1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])Nc1nnc(s1)-c1ccsc1
O=C(NCCCN1CCOCC1)Nc1nnc(-c2ccsc2)s1 c1cc(cs1)[*:1] O=C(NCCCN1CCOCC1)Nc1nnc(s1)[*:1]
Cc1nc2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc2o1 CC(C)[*:1] Cc1nc2ccc(cc2o1)NC(=O)[C@H](NC(=O)OC(C)(C)C)[*:1]
Cc1nc2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc2o1 CC(C)(C)[*:1] Cc1nc2ccc(cc2o1)NC(=O)[C@H](NC(=O)O[*:1])C(C)C
Cc1nc2ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc2o1 CC(C)(C)OC(=O)N[*:1] Cc1nc2ccc(cc2o1)NC(=O)[C@H](C(C)C)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C C[C@H](c1ccccn1)[*:1] CN(C(=O)N[C@H](c1ccccc1)C(C)(C)C)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C c1ccc(nc1)[*:1] C[C@H](N(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C c1ccc(cc1)[*:1] C[C@H](c1ccccn1)N(C)C(=O)N[C@H](C(C)(C)C)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C CC(C)(C)[*:1] C[C@H](c1ccccn1)N(C)C(=O)N[C@H](c1ccccc1)[*:1]
O=C(Cc1c(F)cccc1Cl)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 Fc1cccc(Cl)c1[*:1] O=C(C[*:1])N1CCN(CC1)[C@H]1CCS(=O)(=O)C1
C[C@@H](Cc1ccsc1)N(C)C(=O)[C@@H]1CCCS1 C1CS[C@@H](C1)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)[C@@H]1CCCS1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N(C)C(=O)[C@@H]1CCCS1
N/C(NCc1ccnc(OC2CCC2)c1)=[NH+]/C1CC1 C1CC(C1)[*:1] N/C(NCc1ccnc(c1)O[*:1])=[NH+]/C1CC1
N/C(NCc1ccnc(OC2CCC2)c1)=[NH+]/C1CC1 C1CC1[*:1] NC(NCc1ccnc(c1)OC1CCC1)=[NH+][*:1]
N/C(NCc1ccnc(OC2CCC2)c1)=[NH+]/C1CC1 C1CC(C1)O[*:1] N/C(NCc1ccnc(c1)[*:1])=[NH+]/C1CC1
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(CCc1ncc(o1)-c1ccc(Cl)cc1Cl)NC[*:1]
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCc1ccccn1 Clc1ccc(c(Cl)c1)[*:1] O=C(CCc1ncc(o1)[*:1])NCc1ccccn1
O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(CCc1ncc(o1)-c1ccc(Cl)cc1Cl)N[*:1]
CC[C@H](CC[NH3+])CNC(=O)c1c(F)cccc1OC [NH3+]CC[*:1] CC[C@H](CNC(=O)c1c(F)cccc1OC)[*:1]
CCCCCC(C)(C)C(=O)N1CCC[C@H]([NH+](C)C)C1 CCCC[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)C(C)(C)C[*:1]
CCCCCC(C)(C)C(=O)N1CCC[C@H]([NH+](C)C)C1 CCCCC[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)C(C)(C)[*:1]
CCCCCC(C)(C)C(=O)N1CCC[C@H]([NH+](C)C)C1 CCC[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)C(C)(C)CC[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Cc1ccn(-c2ccc(F)cc2)n1 CNC(=O)[*:1] C[C@H](CN(C)C(=O)Cc1ccn(n1)-c1ccc(F)cc1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Cc1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)Cc1ccn(n1)[*:1]
Cc1noc(-c2ccnc(N[C@H](C)Cc3c(C)noc3C)c2)n1 Cc1noc(C)c1[*:1] Cc1noc(n1)-c1ccnc(c1)N[C@H](C)C[*:1]
Cc1noc(-c2ccnc(N[C@H](C)Cc3c(C)noc3C)c2)n1 Cc1noc(n1)[*:1] Cc1noc(C)c1C[C@@H](C)Nc1cc(ccn1)[*:1]
Cc1cc(F)ccc1CCNC(=O)CC[C@@H](C)O C[C@@H](O)C[*:1] Cc1cc(F)ccc1CCNC(=O)C[*:1]
Cc1cc(F)ccc1CCNC(=O)CC[C@@H](C)O C[C@@H](O)CC[*:1] Cc1cc(F)ccc1CCNC(=O)[*:1]
Cc1cc(F)ccc1CCNC(=O)CC[C@@H](C)O C[C@@H](O)[*:1] Cc1cc(F)ccc1CCNC(=O)CC[*:1]
O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl)c1ccccc1 Clc1ccccc1[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1])c1ccccc1
O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl)[*:1]
COc1cccc(OC)c1OCC(=O)C(C)C CC(C)C(=O)[*:1] COc1cccc(OC)c1OC[*:1]
COc1cccc(OC)c1OCC(=O)C(C)C CC(C)[*:1] COc1cccc(OC)c1OCC(=O)[*:1]
C[C@@H](NC(=O)NC1CCN(C(=O)c2ccco2)CC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](NC(=O)NC1CCN(CC1)C(=O)c1ccco1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)NC1CCN(C(=O)c2ccco2)CC1)c1cccc(C(F)(F)F)c1 c1coc(c1)[*:1] C[C@@H](NC(=O)NC1CCN(CC1)C(=O)[*:1])c1cccc(c1)C(F)(F)F
O=C(CSc1nnc(Nc2ccccc2)s1)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(CSc1nnc(N[*:1])s1)Nc1nc(cs1)-c1ccccc1
O=C(CSc1nnc(Nc2ccccc2)s1)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(CSc1nnc(Nc2ccccc2)s1)Nc1nc(cs1)[*:1]
O=C(CSc1nnc(Nc2ccccc2)s1)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)N[*:1] O=C(CSc1nnc(s1)[*:1])Nc1nc(cs1)-c1ccccc1
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1cccc(c1)NC(=O)Cc1ccccc1Cl)[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)NC(=O)C[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1 Clc1ccccc1C[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)NC(=O)[*:1]
O=C([O-])C[C@@H]1CN(C(=O)Nc2ccccc2)CCO1 c1ccc(cc1)[*:1] O=C([O-])C[C@@H]1CN(CCO1)C(=O)N[*:1]
O=C([O-])C[C@@H]1CN(C(=O)Nc2ccccc2)CCO1 O=C([O-])[*:1] O=C(Nc1ccccc1)N1CCO[C@@H](C1)C[*:1]
O=C([O-])C[C@@H]1CN(C(=O)Nc2ccccc2)CCO1 O=C([O-])C[*:1] O=C(Nc1ccccc1)N1CCO[C@@H](C1)[*:1]
CCOc1ccc(/C=C/C(=O)c2ccccc2F)cc1OC Fc1ccccc1[*:1] CCOc1ccc(/C=C/C(=O)[*:1])cc1OC
CCOc1ccc(/C=C/C(=O)c2ccccc2F)cc1OC CCO[*:1] COc1cc(/C=C/C(=O)c2ccccc2F)ccc1[*:1]
CC(C)(C)c1csc(CN2CCC[C@H](C#N)C2)n1 CC(C)(C)[*:1] N#C[C@H]1CCCN(Cc2nc(cs2)[*:1])C1
COc1ccc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c(OC)c1 c1cc(cs1)C[*:1] COc1ccc(C(=O)N(C)[C@@H](C)[*:1])c(c1)OC
COc1ccc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c(OC)c1 c1cc(cs1)[*:1] COc1ccc(C(=O)N(C)[C@@H](C)C[*:1])c(c1)OC
CC(C)([NH2+][C@H]1CSCCC1(C)C)C(N)=O NC(=O)[*:1] CC1(C)CCSC[C@@H]1[NH2+]C(C)(C)[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)cc1 CC(C)(C)[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)NC1(CCCC1)C(=O)O[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)cc1 CN(C)C(=O)[*:1] CC(C)(C)OC(=O)C1(CCCC1)NC(=O)Nc1ccc(cc1)C[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)cc1 CN(C)C(=O)C[*:1] CC(C)(C)OC(=O)C1(CCCC1)NC(=O)Nc1ccc(cc1)[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)cc1 CC(C)(C)OC(=O)[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)NC1(CCCC1)[*:1]
O=C(Cc1cccc(F)c1)NCCNC(=O)N[C@H]1CCc2c(O)cccc21 Fc1cccc(c1)C[*:1] O=C(NCCNC(=O)[*:1])N[C@H]1CCc2c(O)cccc21
O=C(Cc1cccc(F)c1)NCCNC(=O)N[C@H]1CCc2c(O)cccc21 Fc1cccc(c1)[*:1] O=C(C[*:1])NCCNC(=O)N[C@H]1CCc2c(O)cccc21
O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCc1ccc2OCOc2c1)Nc1ccc(Cl)c(c1)[*:1]
CCn1ccnc1[C@@H](O)c1c(C(C)C)nn(C)c1Cl CC(C)[*:1] CCn1ccnc1[C@@H](O)c1c(nn(C)c1Cl)[*:1]
[NH3+][C@@H](c1ccc(-c2ccccc2)cc1)[C@H]1CSCCS1 c1ccc(cc1)[*:1] [NH3+][C@@H](c1ccc(cc1)[*:1])[C@H]1CSCCS1
O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ncoc1-c1ccco1 c1coc(c1)[*:1] O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ncoc1[*:1]
O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ncoc1-c1ccco1 Fc1ccc(cc1)[*:1] O=C(N[C@H]([C@H]1CCCO1)[*:1])c1ncoc1-c1ccco1
O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ncoc1-c1ccco1 C1CO[C@H](C1)[*:1] O=C(N[C@H](c1ccc(F)cc1)[*:1])c1ncoc1-c1ccco1
CCCc1cc(NC(=O)C(=O)N[C@H](CC)c2cccc(Cl)c2)n(C)n1 Clc1cccc(c1)[*:1] CCCc1cc(NC(=O)C(=O)N[C@H](CC)[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N[C@H](CC)c2cccc(Cl)c2)n(C)n1 CCC[*:1] CC[C@@H](NC(=O)C(=O)Nc1cc(nn1C)[*:1])c1cccc(Cl)c1
C=CCN(CCO)S(=O)(=O)c1nc(C)c(Br)s1 OCC[*:1] C=CCN(S(=O)(=O)c1nc(C)c(Br)s1)[*:1]
C=CCN(CCO)S(=O)(=O)c1nc(C)c(Br)s1 C=CC[*:1] Cc1nc(sc1Br)S(=O)(=O)N(CCO)[*:1]
COC(=O)c1cncc(O[C@H]2CCCC[C@H]2C)n1 COC(=O)[*:1] C[C@@H]1CCCC[C@@H]1Oc1cncc(n1)[*:1]
CN(CC[NH+]1CCCC1)Cc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] CN(CC[NH+]1CCCC1)Cc1ccc(cc1)[*:1]
Cc1cc(NC(=O)NCCCOC2CCCC2)ccc1Br C1CCC(C1)OC[*:1] Cc1cc(ccc1Br)NC(=O)NCC[*:1]
Cc1cc(NC(=O)NCCCOC2CCCC2)ccc1Br C1CCC(C1)O[*:1] Cc1cc(ccc1Br)NC(=O)NCCC[*:1]
Cc1cc(NC(=O)NCCCOC2CCCC2)ccc1Br C1CCC(C1)[*:1] Cc1cc(ccc1Br)NC(=O)NCCCO[*:1]
COc1cccc([C@@H](O)CNC(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)c1 COc1cccc(c1)[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)NC[C@H](O)[*:1]
CC[C@@H](C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)NC[C@@H]1CC[C@@H](O1)C(=O)[O-])[*:1]
CC[C@@H](C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1)c1ccccc1 O=C([O-])[*:1] CC[C@@H](C(=O)NC[C@@H]1CC[C@H](O1)[*:1])c1ccccc1
CC(C)(C)c1ncc(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)cn1 OCC[*:1] CC(C)(C)c1ncc(cn1)NC(=O)N([C@@H]1CCCc2ccccc21)[*:1]
CC(C)(C)c1ncc(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)cn1 CC(C)(C)[*:1] O=C(Nc1cnc(nc1)[*:1])N(CCO)[C@@H]1CCCc2ccccc21
O[C@@H](COc1ccccc1Br)Cn1cnc2ccccc21 Brc1ccccc1[*:1] O[C@@H](CO[*:1])Cn1cnc2ccccc21
Cc1noc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC[NH+]5CCCCC5)C(=O)[C@@H]24)O3)n1 Cc1noc(C[*:1])n1 CN(C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC[NH+]4CCCCC4)C(=O)[C@@H]13)O2)[*:1]
Cc1noc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC[NH+]5CCCCC5)C(=O)[C@@H]24)O3)n1 Cc1noc(n1)[*:1] CN(C[*:1])C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC[NH+]4CCCCC4)C(=O)[C@@H]13)O2
CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2COc3ccc(F)cc3C2)C1 CC(C)[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N1CC[C@@H](C1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2COc3ccc(F)cc3C2)C1 CC(C)NS(=O)(=O)[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N1CC[C@@H](C1)[*:1]
CC[C@@H](NC(=O)Nc1cnn(CCOC)c1)c1ccc(C)c(F)c1 COC[*:1] CC[C@@H](NC(=O)Nc1cnn(c1)C[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)Nc1cnn(CCOC)c1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)Nc1cnn(c1)CCOC)[*:1]
CC[C@@H](NC(=O)Nc1cnn(CCOC)c1)c1ccc(C)c(F)c1 COCC[*:1] CC[C@@H](NC(=O)Nc1cnn(c1)[*:1])c1ccc(C)c(F)c1
Cc1nn(-c2ccccc2)nc1C(=O)NCC1CC1 C1CC1C[*:1] Cc1nn(nc1C(=O)N[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)nc1C(=O)NCC1CC1 c1ccc(cc1)[*:1] Cc1nn(nc1C(=O)NCC1CC1)[*:1]
Cc1nn(-c2ccccc2)nc1C(=O)NCC1CC1 C1CC1[*:1] Cc1nn(nc1C(=O)NC[*:1])-c1ccccc1
Cc1cccc(CN2CCN(CN3C(=O)C[C@@H]3c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CN1CCN(CC1)CN1C(=O)C[C@H]1[*:1]
Cc1cccc(CN2CCN(CN3C(=O)C[C@@H]3c3ccccc3)CC2)c1 Cc1cccc(c1)[*:1] O=C1C[C@H](c2ccccc2)N1CN1CCN(CC1)C[*:1]
Cc1cccc(CN2CCN(CN3C(=O)C[C@@H]3c3ccccc3)CC2)c1 Cc1cccc(c1)C[*:1] O=C1C[C@H](c2ccccc2)N1CN1CCN(CC1)[*:1]
O=C1C[C@H](c2cccc(F)c2)[C@H]2C(=O)N=C3N=CNN3[C@@H]2N1 Fc1cccc(c1)[*:1] O=C1C[C@H]([C@H]2C(=O)N=C3N=CNN3[C@@H]2N1)[*:1]
Oc1cc(OCc2cccc(C(F)(F)F)c2)ccc1-c1cc[nH]n1 FC(F)(F)[*:1] Oc1cc(ccc1-c1cc[nH]n1)OCc1cccc(c1)[*:1]
Oc1cc(OCc2cccc(C(F)(F)F)c2)ccc1-c1cc[nH]n1 c1cc(n[nH]1)[*:1] Oc1cc(ccc1[*:1])OCc1cccc(c1)C(F)(F)F
Cc1noc(C)c1CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 Cc1noc(C)c1C[*:1] O=C([C@@H]1Cc2ccccc2CN1[*:1])N1CCCC1
Cc1noc(C)c1CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1noc(C)c1CN1Cc2ccccc2C[C@@H]1[*:1]
Cc1noc(C)c1CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 Cc1noc(C)c1[*:1] O=C([C@@H]1Cc2ccccc2CN1C[*:1])N1CCCC1
O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)N1CCSCC1 C1C[C@H](CO1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])N1CCSCC1
O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)N1CCSCC1 C1CN(CCO1)[*:1] O=C(NC[C@@H]([C@@H]1CCOC1)[*:1])N1CCSCC1
CCCOc1cccc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1 CCC[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)O[*:1]
CCCOc1cccc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1 CCCO[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)[*:1]
Cc1cccc(Nc2ccc(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)nc2)n1 Cc1cccc(n1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)c1ccc(cn1)N[*:1]
Cc1cccc(Nc2ccc(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)nc2)n1 Cc1cccc(n1)N[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)c1ccc(cn1)[*:1]
Cc1cccc(Nc2ccc(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)nc2)n1 Cn1cnc(c1)[*:1] Cc1cccc(n1)Nc1ccc(nc1)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccccc1CN1CCN(C(=O)Cc2cc(C)on2)CC1 Cc1cc(C[*:1])no1 COc1ccccc1CN1CCN(CC1)C(=O)[*:1]
COc1ccccc1CN1CCN(C(=O)Cc2cc(C)on2)CC1 COc1ccccc1[*:1] Cc1cc(CC(=O)N2CCN(CC2)C[*:1])no1
COc1ccccc1CN1CCN(C(=O)Cc2cc(C)on2)CC1 Cc1cc(no1)[*:1] COc1ccccc1CN1CCN(CC1)C(=O)C[*:1]
Cc1cc(CN(Cc2cc(C)on2)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(CN(Cc2cc(C)on2)[*:1])no1
Cc1cc(CN(Cc2cc(C)on2)c2ccccc2)no1 Cc1cc(no1)[*:1] Cc1cc(CN(C[*:1])c2ccccc2)no1
Cc1cc(CN(Cc2cc(C)on2)c2ccccc2)no1 Cc1cc(C[*:1])no1 Cc1cc(CN(c2ccccc2)[*:1])no1
C[C@@H](CN(C)C(=O)Nc1ccccc1SCC(N)=O)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CN(C[*:1])C(=O)Nc1ccccc1SCC(N)=O
C[C@@H](CN(C)C(=O)Nc1ccccc1SCC(N)=O)c1ccccc1 NC(=O)C[*:1] C[C@@H](CN(C)C(=O)Nc1ccccc1S[*:1])c1ccccc1
C[C@@H](CN(C)C(=O)Nc1ccccc1SCC(N)=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CN(C)C(=O)Nc1ccccc1SCC(N)=O)[*:1]
C[C@@H](CN(C)C(=O)Nc1ccccc1SCC(N)=O)c1ccccc1 NC(=O)[*:1] C[C@@H](CN(C)C(=O)Nc1ccccc1SC[*:1])c1ccccc1
C[C@@H](CN(C)C(=O)Nc1ccccc1SCC(N)=O)c1ccccc1 NC(=O)CS[*:1] C[C@@H](CN(C)C(=O)Nc1ccccc1[*:1])c1ccccc1
C[C@H]1CC[C@@H](C)N(C(=O)c2cccc(N3C(=O)CCC3=O)c2)C1 O=C1CCC(=O)N1[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(c1)[*:1]
CC(C)n1nccc1NC(=O)CCN1Cc2ccccc2C1=O CC(C)[*:1] O=C(CCN1Cc2ccccc2C1=O)Nc1ccnn1[*:1]
COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2scnc2C)c1 c1cncc(c1)[*:1] COc1cccc(c1)-c1cc(nn1CCNC(=O)c1scnc1C)[*:1]
COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2scnc2C)c1 Cc1ncsc1[*:1] COc1cccc(c1)-c1cc(nn1CCNC(=O)[*:1])-c1cccnc1
COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2scnc2C)c1 Cc1ncsc1C(=O)NC[*:1] COc1cccc(c1)-c1cc(nn1C[*:1])-c1cccnc1
COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2scnc2C)c1 Cc1ncsc1C(=O)N[*:1] COc1cccc(c1)-c1cc(nn1CC[*:1])-c1cccnc1
COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2scnc2C)c1 COc1cccc(c1)[*:1] Cc1ncsc1C(=O)NCCn1nc(cc1[*:1])-c1cccnc1
CC[C@@H](Nc1cncc(C(=O)OC)n1)C1CCCCC1 COC(=O)[*:1] CC[C@@H](Nc1cncc(n1)[*:1])C1CCCCC1
CC[C@@H](Nc1cncc(C(=O)OC)n1)C1CCCCC1 C1CCC(CC1)[*:1] CC[C@@H](Nc1cncc(n1)C(=O)OC)[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)c1cc(C)on1 Cc1cc(no1)[*:1] COc1ccccc1[C@H]1CCCN1C(=O)[*:1]
CCS[C@@H](C(=O)Nc1cc(-c2ccncc2)nn1C)C(C)C c1cc(ccn1)[*:1] CCS[C@@H](C(=O)Nc1cc(nn1C)[*:1])C(C)C
CCS[C@@H](C(=O)Nc1cc(-c2ccncc2)nn1C)C(C)C CCS[*:1] CC(C)[C@H](C(=O)Nc1cc(nn1C)-c1ccncc1)[*:1]
CCS[C@@H](C(=O)Nc1cc(-c2ccncc2)nn1C)C(C)C CC(C)[*:1] CCS[C@@H](C(=O)Nc1cc(nn1C)-c1ccncc1)[*:1]
O=C(CCc1cnccn1)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 c1cnc(cn1)C[*:1] O=C(C[*:1])N[C@H]1CCCc2nc(ncc21)-c1ccccc1
O=C(CCc1cnccn1)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 c1cnc(cn1)[*:1] O=C(CC[*:1])N[C@H]1CCCc2nc(ncc21)-c1ccccc1
O=C(CCc1cnccn1)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 c1cnc(cn1)CC[*:1] O=C(N[C@H]1CCCc2nc(ncc21)-c1ccccc1)[*:1]
O=C(CCc1cnccn1)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 c1ccc(cc1)[*:1] O=C(CCc1cnccn1)N[C@H]1CCCc2nc(ncc21)[*:1]
NC(=O)CC[C@H](C(=O)[O-])N1CCOC1=O NC(=O)C[*:1] O=C([O-])[C@@H](C[*:1])N1CCOC1=O
NC(=O)CC[C@H](C(=O)[O-])N1CCOC1=O NC(=O)CC[*:1] O=C([O-])[C@H](N1CCOC1=O)[*:1]
NC(=O)CC[C@H](C(=O)[O-])N1CCOC1=O O=C([O-])[*:1] NC(=O)CC[C@H](N1CCOC1=O)[*:1]
NC(=O)CC[C@H](C(=O)[O-])N1CCOC1=O NC(=O)[*:1] O=C([O-])[C@@H](CC[*:1])N1CCOC1=O
CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)/N=c1/sccn1C CC[C@@H](C)[*:1] Cn1ccs/c1=N/C(=O)[C@@H](NS(C)(=O)=O)[*:1]
CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)/N=c1/sccn1C CS(=O)(=O)N[*:1] CC[C@@H](C)[C@H](C(=O)/N=c1/sccn1C)[*:1]
CCCOC(=O)c1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1 FC(F)(F)[*:1] CCCOC(=O)c1ccc(cc1)NC(=O)c1ncccc1[*:1]
CCCOC(=O)c1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1 CCC[*:1] O=C(O[*:1])c1ccc(cc1)NC(=O)c1ncccc1C(F)(F)F
CCCOC(=O)c1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1 CCCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ncccc1C(F)(F)F
CC(=O)c1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c(C)cc(=O)oc12 O=[N+]([O-])[*:1] CC(=O)c1c(ccc2c(C)cc(=O)oc12)OC(=O)c1cc(ccc1Cl)[*:1]
CC(=O)c1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c(C)cc(=O)oc12 CC(=O)[*:1] Cc1cc(=O)oc2c(c(ccc12)OC(=O)c1cc(ccc1Cl)[N+](=O)[O-])[*:1]
Cc1cc([C@H]([NH2+]C(C)C)c2ccc(Br)o2)c(F)cc1F Brc1ccc(o1)[*:1] Cc1cc(c(F)cc1F)[C@H]([NH2+]C(C)C)[*:1]
Cc1cc([C@H]([NH2+]C(C)C)c2ccc(Br)o2)c(F)cc1F CC(C)[*:1] Cc1cc(c(F)cc1F)[C@H]([NH2+][*:1])c1ccc(Br)o1
CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)Cc1cccc(F)c1F CC(C)[*:1] CN(C(=O)[C@H]1CSCN1C(=O)Cc1cccc(F)c1F)[*:1]
CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)Cc1cccc(F)c1F CC(C)N(C)C(=O)[*:1] O=C(Cc1cccc(F)c1F)N1CSC[C@@H]1[*:1]
COc1ccccc1-c1csc(NC(=O)C2CC2)n1 O=C(N[*:1])C1CC1 COc1ccccc1-c1csc(n1)[*:1]
COc1ccccc1-c1csc(NC(=O)C2CC2)n1 C1CC1[*:1] COc1ccccc1-c1csc(n1)NC(=O)[*:1]
CC(C)Oc1ccc(CNC(=O)NC[C@H]2CCC[C@@H]2O)cn1 CC(C)[*:1] O=C(NCc1ccc(nc1)O[*:1])NC[C@H]1CCC[C@@H]1O
CC(C)Oc1ccc(CNC(=O)NC[C@H]2CCC[C@@H]2O)cn1 CC(C)O[*:1] O=C(NCc1ccc(nc1)[*:1])NC[C@H]1CCC[C@@H]1O
COC[C@H]1CN(C(=O)c2ccc(OC)nc2OC)CC12CCOCC2 COC[*:1] COc1ccc(C(=O)N2C[C@@H](C3(CCOCC3)C2)[*:1])c(n1)OC
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3-c3ccccc3)CC2)c1 CC(=O)c1cccc(c1)[*:1] O=C(Nc1ccccc1-c1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3-c3ccccc3)CC2)c1 CC(=O)[*:1] O=C(Nc1ccccc1-c1ccccc1)C1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3-c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(C1CC1)C1CC1 C1CC1[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(C1CC1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(C1CC1)C1CC1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)NCC(C1CC1)C1CC1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(C1CC1)C1CC1 C1CC1C(C[*:1])C1CC1 Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[*:1]
CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(NNC(=O)c3cccc(Cl)c3)c2[N+](=O)[O-])C1 Clc1cccc(c1)[*:1] CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(NNC(=O)[*:1])c2[N+](=O)[O-])C1
CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(NNC(=O)c3cccc(Cl)c3)c2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(NNC(=O)c3cccc(Cl)c3)c2[*:1])C1
COc1ccc(C)cc1[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2C1=O COc1ccc(C)cc1[*:1] C[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)[*:1]
CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCN(CCO)CC2)cc1 OCC[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)[C@H](C)N1CCN(CC1)[*:1]
CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCN(CCO)CC2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])N1CCN(CCO)CC1
CCC(CC)Nc1ccc(N)c(OC(C)C)n1 CC(C)O[*:1] CCC(CC)Nc1ccc(N)c(n1)[*:1]
CCC(CC)Nc1ccc(N)c(OC(C)C)n1 CCC(CC)[*:1] CC(C)Oc1nc(ccc1N)N[*:1]
CCC(CC)Nc1ccc(N)c(OC(C)C)n1 CC(C)[*:1] CCC(CC)Nc1ccc(N)c(n1)O[*:1]
Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)no1 Cc1cc(no1)[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[*:1]
CN1c2ccccc2C(=O)N[C@@H]1c1csc(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] CN1c2ccccc2C(=O)N[C@@H]1c1csc(n1)-c1ccc(cc1)[*:1]
CCCn1ccc2cc(NC(=O)N3CCN([C@@H](CC)CO)CC3)ccc21 CCC[*:1] CC[C@@H](CO)N1CCN(CC1)C(=O)Nc1ccc2c(ccn2[*:1])c1
O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ncc(Cl)cc1Cl Clc1cnc(c(Cl)c1)[*:1] O=C(COC(=O)c1cc2ccccc2cc1O)N[*:1]
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)[C@@H]2c1ccc([N+](=O)[O-])cc1 NC(=O)[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C([C@@H]2c1ccc(cc1)[N+](=O)[O-])[*:1]
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)[C@@H]2c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)[C@@H]2c1ccc(cc1)[*:1]
O=C([O-])CSc1nc2c([nH]1)CCCCCC2 O=C([O-])CS[*:1] C1CCCc2[nH]c(nc2CC1)[*:1]
O=C([O-])CSc1nc2c([nH]1)CCCCCC2 O=C([O-])[*:1] C1CCCc2[nH]c(nc2CC1)SC[*:1]
O=C([O-])CSc1nc2c([nH]1)CCCCCC2 O=C([O-])C[*:1] C1CCCc2[nH]c(nc2CC1)S[*:1]
COc1ccc2cc(C(=O)N3CCN(c4ccccc4O)CC3)c(C)nc2c1 Oc1ccccc1[*:1] COc1ccc2cc(C(=O)N3CCN(CC3)[*:1])c(C)nc2c1
O=C([C@H]1CCCO1)N1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] O=C([C@H]1CCCO1)N1CCN(CC1)C[C@H](O)[*:1]
O=C([C@H]1CCCO1)N1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 C1CO[C@H](C1)[*:1] O=C(N1CCN(CC1)C[C@H](O)c1ccc(F)c(F)c1)[*:1]
O=C1COc2ccc(NC(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc2N1 FC(F)(F)[*:1] O=C1COc2ccc(cc2N1)NC(=O)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
CCS[C@H]1CC[C@H](NC(=O)Cc2cccc(O)c2)C1 CCS[*:1] O=C(Cc1cccc(O)c1)N[C@H]1CC[C@@H](C1)[*:1]
C[C@H](CO)[C@@H](C)NC(=O)NCc1cc(F)ccc1Br C[C@H](CO)[*:1] C[C@@H](NC(=O)NCc1cc(F)ccc1Br)[*:1]
COCc1nc(C[NH2+][C@H]2CCCc3c2cnn3C(C)(C)C)cs1 CC(C)(C)[*:1] COCc1nc(cs1)C[NH2+][C@H]1CCCc2c1cnn2[*:1]
COCc1nc(C[NH2+][C@H]2CCCc3c2cnn3C(C)(C)C)cs1 COC[*:1] CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1csc(n1)[*:1]
COc1ccc(C(=O)OCc2nncn2C2CC2)cc1-c1ccccc1 C1CC1[*:1] COc1ccc(cc1-c1ccccc1)C(=O)OCc1nncn1[*:1]
COc1ccc(C(=O)OCc2nncn2C2CC2)cc1-c1ccccc1 c1nnc(n1C1CC1)[*:1] COc1ccc(cc1-c1ccccc1)C(=O)OC[*:1]
COc1ccc(C(=O)OCc2nncn2C2CC2)cc1-c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1[*:1])C(=O)OCc1nncn1C1CC1
CN(C)C(=O)C1CCN(c2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)CC1 c1ccc(cc1)[*:1] CN(C)C(=O)C1CCN(CC1)c1nc(C=C[*:1])nc2sc3CCCCc3c12
CN(C)C(=O)C1CCN(c2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)CC1 C(=C[*:1])c1ccccc1 CN(C)C(=O)C1CCN(CC1)c1nc(nc2sc3CCCCc3c12)[*:1]
CN(C)C(=O)C1CCN(c2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)CC1 CN(C)C(=O)[*:1] C(=C/c1nc(c2c3CCCCc3sc2n1)N1CCC(CC1)[*:1])\c1ccccc1
CC1(C)C(CNc2nc3ccccc3cc2C#N)C1(C)C CC1(C)C(C1(C)C)[*:1] N#Cc1cc2ccccc2nc1NC[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)Nc1nc2c(cc1C#N)CCC2 CCCS(=O)(=O)[*:1] C[C@@H](C(=O)Nc1nc2CCCc2cc1C#N)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)Nc1nc2c(cc1C#N)CCC2 CCC[*:1] C[C@@H](C(=O)Nc1nc2CCCc2cc1C#N)S(=O)(=O)[*:1]
CCN(c1ccc(C(=O)N2CCC[C@H](C(=O)NC)C2)cc1)C(C)C CNC(=O)[*:1] CCN(c1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1])C(C)C
CCN(c1ccc(C(=O)N2CCC[C@H](C(=O)NC)C2)cc1)C(C)C CCN(C(C)C)[*:1] CNC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
CCN(c1ccc(C(=O)N2CCC[C@H](C(=O)NC)C2)cc1)C(C)C CC(C)[*:1] CCN(c1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)NC)[*:1]
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C)C(N)=O NC(=O)[*:1] C[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](C)[*:1]
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C)C(N)=O C[C@@H](C(N)=O)[*:1] C[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)N[*:1]
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C)C(N)=O FC(F)(F)[*:1] C[C@@H](Cc1ccc(cc1)[*:1])C(=O)N[C@@H](C)C(N)=O
C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Sc1nc2CCCCc2cc1C#N)C(=O)N(C)[*:1]
C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nc2CCCCc2cc1C#N)C(=O)N(C)C[*:1]
COC(=O)c1nc2c(C)cccn2c1Br COC(=O)[*:1] Cc1cccn2c(Br)c(nc12)[*:1]
CC(=O)N[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@H](C(=O)N1CCC[C@@H](C1)n1cc[nH+]c1)[*:1]
CC(=O)N[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C1CCCC1 CC(=O)N[*:1] O=C([C@H](C1CCCC1)[*:1])N1CCC[C@@H](C1)n1cc[nH+]c1
Cc1ccc(NC(=O)N2CC[C@H]3CCCC[C@@H]32)s1 Cc1ccc(s1)[*:1] O=C(N[*:1])N1CC[C@H]2CCCC[C@@H]21
CN(C)c1ccccc1CN1CCn2c(nn(C)c2=O)C1 CN(C)[*:1] Cn1nc2CN(CCn2c1=O)Cc1ccccc1[*:1]
CN1CCO[C@@H](CNc2cccc(F)c2C(=O)[O-])C1 O=C([O-])[*:1] CN1CCO[C@@H](CNc2cccc(F)c2[*:1])C1
C[C@H](CC(=O)OCc1ccc(-n2ccnc2)nc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CC(=O)OCc1ccc(nc1)-n1ccnc1)[*:1]
C[C@H](CC(=O)OCc1ccc(-n2ccnc2)nc1)c1cccc(F)c1 c1cn(cn1)[*:1] C[C@H](CC(=O)OCc1ccc(nc1)[*:1])c1cccc(F)c1
CC[C@@H]1CCCN1C(=O)N(CC(=O)[O-])CC(F)(F)F FC(F)(F)C[*:1] CC[C@@H]1CCCN1C(=O)N(CC(=O)[O-])[*:1]
CC[C@@H]1CCCN1C(=O)N(CC(=O)[O-])CC(F)(F)F FC(F)(F)[*:1] CC[C@@H]1CCCN1C(=O)N(CC(=O)[O-])C[*:1]
CC[C@@H]1CCCN1C(=O)N(CC(=O)[O-])CC(F)(F)F O=C([O-])C[*:1] CC[C@@H]1CCCN1C(=O)N(CC(F)(F)F)[*:1]
CC[C@@H]1CCCN1C(=O)N(CC(=O)[O-])CC(F)(F)F O=C([O-])[*:1] CC[C@@H]1CCCN1C(=O)N(CC(F)(F)F)C[*:1]
Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1c1cccs1)OC(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc1 Cc1ccc(C=C[*:1])cc1 N#CC1=C(N)Oc2cc(ccc2[C@H]1c1cccs1)OC(=O)[*:1]
Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3[*:1])cc1
CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O CCOC(=O)c1ccsc1[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(C#N)cc1
CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O N#Cc1ccc(cc1)[*:1] CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O CCOC(=O)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2sccc2[*:1])C1=O)c1ccc(C#N)cc1
Cn1cc([C@H](CNC(=O)N2C[C@H]3CCCC[C@@H]3C2)[NH+](C)C)cn1 Cn1cc(cn1)[*:1] C[NH+](C)[C@@H](CNC(=O)N1C[C@H]2CCCC[C@@H]2C1)[*:1]
CCc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)no1 CCc1cc(no1)[*:1] CC1(C)Cc2nc(ncc2[C@H](C1)NC(=O)[*:1])-c1ccncc1
CCc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)no1 c1cc(ccn1)[*:1] CCc1cc(no1)C(=O)N[C@H]1CC(C)(C)Cc2nc(ncc21)[*:1]
CCCc1cc2c(c(=O)n1CCO)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 Clc1ccc(c(Cl)c1)[*:1] CCCc1cc2OC(N)=C(C#N)[C@H](c2c(=O)n1CCO)[*:1]
CCCc1cc2c(c(=O)n1CCO)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 OCC[*:1] CCCc1cc2OC(N)=C(C#N)[C@H](c3ccc(Cl)cc3Cl)c2c(=O)n1[*:1]
CCCc1cc2c(c(=O)n1CCO)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 CCC[*:1] N#CC1=C(N)Oc2cc(n(CCO)c(=O)c2[C@H]1c1ccc(Cl)cc1Cl)[*:1]
CCCCNC(=O)[C@@H]1[NH+]=c2ccccc2=C1NC(=O)c1ccc(Cl)cc1 CCCCNC(=O)[*:1] O=C(NC1=c2ccccc2=[NH+][C@H]1[*:1])c1ccc(Cl)cc1
CCCCNC(=O)[C@@H]1[NH+]=c2ccccc2=C1NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCCNC(=O)[C@@H]1[NH+]=c2ccccc2=C1NC(=O)[*:1]
CCCCNC(=O)[C@@H]1[NH+]=c2ccccc2=C1NC(=O)c1ccc(Cl)cc1 CCCC[*:1] O=C(NC1=c2ccccc2=[NH+][C@H]1C(=O)N[*:1])c1ccc(Cl)cc1
CCCCNC(=O)[C@@H]1[NH+]=c2ccccc2=C1NC(=O)c1ccc(Cl)cc1 CCC[*:1] O=C(NC1=c2ccccc2=[NH+][C@H]1C(=O)NC[*:1])c1ccc(Cl)cc1
CCc1ccc(OCC(=O)/N=C2/N=N[C@@H](c3ccco3)S2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)OCC(=O)/N=C1/N=N[C@@H](S1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 Oc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N[C@@H](C[*:1])C(=O)[O-]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C([O-])[C@H](Cc1ccc(O)cc1)N/C([O-])=N/S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 Oc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N[C@@H](C(=O)[O-])[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N[C@@H](Cc1ccc(O)cc1)[*:1]
C/C(COc1ccccc1)=N\NC(=O)[C@H](C)Sc1nc2ccccc2s1 c1ccc(cc1)O[*:1] C/C(C[*:1])=N\NC(=O)[C@H](C)Sc1nc2ccccc2s1
C/C(COc1ccccc1)=N\NC(=O)[C@H](C)Sc1nc2ccccc2s1 c1ccc(cc1)OC[*:1] CC(=NNC(=O)[C@H](C)Sc1nc2ccccc2s1)[*:1]
C/C(COc1ccccc1)=N\NC(=O)[C@H](C)Sc1nc2ccccc2s1 c1ccc(cc1)[*:1] C/C(CO[*:1])=N\NC(=O)[C@H](C)Sc1nc2ccccc2s1
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc(O)c1 Oc1cccc(c1)[*:1] O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1[*:1]
CC(C)Cn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 CC(C)C[*:1] O=C(NCc1ccc2OCOc2c1)c1cn(c2ccccc12)[*:1]
CC(C)Cn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 CC(C)[*:1] O=C(NCc1ccc2OCOc2c1)c1cn(C[*:1])c2ccccc12
COc1cc(C2=Nn3c(nnc3-c3ccc4ccccc4c3)SC2)cc(OC)c1OC c1ccc2cc(ccc2c1)[*:1] COc1cc(cc(OC)c1OC)C1CSc2nnc(n2N=1)[*:1]
N#Cc1cc(F)ccc1CN1CCC(OCCC[NH3+])CC1 [NH3+]CCCO[*:1] N#Cc1cc(F)ccc1CN1CCC(CC1)[*:1]
N#CCOc1cccc(NC(=O)NCCOc2cccc(Cl)c2)c1 Clc1cccc(c1)O[*:1] N#CCOc1cccc(c1)NC(=O)NCC[*:1]
N#CCOc1cccc(NC(=O)NCCOc2cccc(Cl)c2)c1 N#CCO[*:1] O=C(NCCOc1cccc(Cl)c1)Nc1cccc(c1)[*:1]
N#CCOc1cccc(NC(=O)NCCOc2cccc(Cl)c2)c1 N#CC[*:1] O=C(NCCOc1cccc(Cl)c1)Nc1cccc(c1)O[*:1]
N#CCOc1cccc(NC(=O)NCCOc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] N#CCOc1cccc(c1)NC(=O)NCCO[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)c2ccc3c(c2)NC(=O)CS3)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C1CSc2ccc(cc2N1)C(=O)NCC(=O)N[*:1]
CC[C@H]1CN(Cc2cn(C)nc2C(C)C)CCS1 CC(C)[*:1] CC[C@H]1CN(CCS1)Cc1cn(C)nc1[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](O)C1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCC[C@H](O)C1
CCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(C)c2Cl)C1 CCC(=O)N[*:1] Cc1cccc(NC(=O)N2CCC[C@H](C2)[*:1])c1Cl
CN(CC(=O)NCC(=O)[O-])c1ncccn1 O=C([O-])C[*:1] CN(CC(=O)N[*:1])c1ncccn1
CN(CC(=O)NCC(=O)[O-])c1ncccn1 O=C([O-])[*:1] CN(CC(=O)NC[*:1])c1ncccn1
C=CCCC[C@H](C)OC(=O)[C@@H]1CNC(=O)C1 C=CCC[*:1] C[C@@H](C[*:1])OC(=O)[C@@H]1CNC(=O)C1
C=CCCC[C@H](C)OC(=O)[C@@H]1CNC(=O)C1 C=CC[*:1] C[C@@H](CC[*:1])OC(=O)[C@@H]1CNC(=O)C1
C=CCCC[C@H](C)OC(=O)[C@@H]1CNC(=O)C1 C=CCCC[*:1] C[C@H](OC(=O)[C@@H]1CNC(=O)C1)[*:1]
CCc1ccc(C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)o1 CCc1ccc(o1)[*:1] Cc1cc(C[C@H](C)NC(=O)[*:1])n(n1)-c1ccccc1
CCc1ccc(C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)o1 c1ccc(cc1)[*:1] CCc1ccc(o1)C(=O)N[C@@H](C)Cc1cc(C)nn1[*:1]
CCN(C(=O)CN1CCOC(C)(C)C1)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)CN1CCOC(C)(C)C1)[*:1]
CN1C(=O)/C(=C2/SC(=N)N(c3nccs3)C2=O)c2ccccc21 c1csc(n1)[*:1] CN1C(=O)/C(=C2/SC(=N)N(C2=O)[*:1])c2ccccc21
C=CCNC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1 C=CC[*:1] C[C@H](c1ccc2ccccc2c1)N(C(=O)N[*:1])C1CC1
C=CCNC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1 C1CC1[*:1] C=CCNC(=O)N([C@H](C)c1ccc2ccccc2c1)[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)C=C1CCSCC1 COC(=O)C[*:1] O=C(C=C1CCSCC1)N1CCCC[C@@H]1[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)C=C1CCSCC1 COC(=O)[*:1] O=C(C=C1CCSCC1)N1CCCC[C@@H]1C[*:1]
Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)[nH]c2c1C(=O)CCC2 Fc1ccccc1[*:1] Cc1c([nH]c2CCCC(=O)c21)C(=O)N1CCN(CC1)[*:1]
O=C1CC[NH+](Cc2ccsc2)CCN1Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1CC[NH+](CCN1Cc1cccc(c1)[*:1])Cc1ccsc1
O=C1CC[NH+](Cc2ccsc2)CCN1Cc1cccc(C(F)(F)F)c1 c1cc(cs1)[*:1] O=C1CC[NH+](CCN1Cc1cccc(c1)C(F)(F)F)C[*:1]
O=C1CC[NH+](Cc2ccsc2)CCN1Cc1cccc(C(F)(F)F)c1 c1cc(cs1)C[*:1] O=C1CC[NH+](CCN1Cc1cccc(c1)C(F)(F)F)[*:1]
Cn1cccc1C(=O)Nc1ccccc1-c1cnn(-c2nccc3nc(C(F)(F)F)ccc23)c1 Cn1cccc1C(=O)N[*:1] FC(F)(F)c1ccc2c(nccc2n1)-n1cc(cn1)-c1ccccc1[*:1]
Cn1cccc1C(=O)Nc1ccccc1-c1cnn(-c2nccc3nc(C(F)(F)F)ccc23)c1 Cn1cccc1[*:1] O=C(Nc1ccccc1-c1cnn(c1)-c1nccc2nc(ccc12)C(F)(F)F)[*:1]
Cn1cccc1C(=O)Nc1ccccc1-c1cnn(-c2nccc3nc(C(F)(F)F)ccc23)c1 FC(F)(F)[*:1] Cn1cccc1C(=O)Nc1ccccc1-c1cnn(c1)-c1nccc2nc(ccc12)[*:1]
CC(C)[C@H](CO)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)[C@H](CO)Nc1ccc(cc1)[*:1]
CC(C)[C@H](CO)Nc1ccc(C(=O)[O-])cc1 CC(C)[*:1] O=C([O-])c1ccc(cc1)N[C@@H](CO)[*:1]
CC[C@@H](C)n1ccc(CC(=O)C2([NH+](C)C)CCCC2)n1 CC[C@@H](C)[*:1] C[NH+](C)C1(CCCC1)C(=O)Cc1ccn(n1)[*:1]
C[C@H](C(=O)NC1CCCC1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](C(=O)NC1CCCC1)N1CCN(CC1)[*:1]
C[C@H](C(=O)NC1CCCC1)N1CCN(c2ccccc2)CC1 C1CCC(C1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)c1ccccc1
CC(C)c1cc(Br)ccc1NC(=O)CCCn1cncn1 c1ncn(n1)[*:1] CC(C)c1cc(Br)ccc1NC(=O)CCC[*:1]
CC(C)c1cc(Br)ccc1NC(=O)CCCn1cncn1 CC(C)[*:1] O=C(CCCn1cncn1)Nc1ccc(Br)cc1[*:1]
CC(C)c1cc(Br)ccc1NC(=O)CCCn1cncn1 c1ncn(CC[*:1])n1 CC(C)c1cc(Br)ccc1NC(=O)C[*:1]
CC(C)c1cc(Br)ccc1NC(=O)CCCn1cncn1 c1ncn(C[*:1])n1 CC(C)c1cc(Br)ccc1NC(=O)CC[*:1]
Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)OC1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC(CC1)O[*:1]
Cc1c(C(=O)N[C@H](C)C(C)C)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H](C)C(C)C
Cc1c(C(=O)N[C@H](C)C(C)C)cnn1-c1ccncc1 CC(C)[C@@H](C)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N[*:1]
Cc1c(C(=O)N[C@H](C)C(C)C)cnn1-c1ccncc1 CC(C)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N[C@H](C)[*:1]
Cc1cccc2[nH]c(SCC(=O)OC(C)C)nc12 CC(C)[*:1] Cc1cccc2[nH]c(nc12)SCC(=O)O[*:1]
Cc1cccc2[nH]c(SCC(=O)OC(C)C)nc12 CC(C)OC(=O)[*:1] Cc1cccc2[nH]c(nc12)SC[*:1]
Cc1ccc(C)c(CN2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)c1 Cc1ccc(C)c(c1)[*:1] Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(C1)C[*:1]
Cc1ccc(C)c(CN2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)c1 Cc1ccc(C)c(c1)C[*:1] Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(C1)[*:1]
Cc1cc(CSCC(=O)Nc2ccc(C(C)C)cc2)no1 Cc1cc(C[*:1])no1 CC(C)c1ccc(cc1)NC(=O)CS[*:1]
Cc1cc(CSCC(=O)Nc2ccc(C(C)C)cc2)no1 CC(C)[*:1] Cc1cc(CSCC(=O)Nc2ccc(cc2)[*:1])no1
Cc1cc(CSCC(=O)Nc2ccc(C(C)C)cc2)no1 Cc1cc(no1)[*:1] CC(C)c1ccc(cc1)NC(=O)CSC[*:1]
COc1ccc(CNc2cc(C(N)=O)ccc2C)c(OC(C)C)c1 CC(C)[*:1] COc1ccc(CNc2cc(ccc2C)C(N)=O)c(c1)O[*:1]
COc1ccc(CNc2cc(C(N)=O)ccc2C)c(OC(C)C)c1 NC(=O)[*:1] COc1ccc(CNc2cc(ccc2C)[*:1])c(c1)OC(C)C
COc1ccc(CNc2cc(C(N)=O)ccc2C)c(OC(C)C)c1 CC(C)O[*:1] COc1ccc(CNc2cc(ccc2C)C(N)=O)c(c1)[*:1]
CNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 CNC(=O)C[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CCN(CC1)c1nnc(S[*:1])s1
CNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 CNC(=O)[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CCN(CC1)c1nnc(SC[*:1])s1
CNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 CNC(=O)CS[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CCN(CC1)c1nnc(s1)[*:1]
CNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 c1ccc(cc1)[*:1] CNC(=O)CSc1nnc(s1)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCC(CC)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O c1csc(c1)[*:1] CCC(CC)N(C)C(=O)c1cc(ccc1O)[N-]S(=O)(=O)[*:1]
CCC(CC)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O CCC(CC)[*:1] CN(C(=O)c1cc(ccc1O)[N-]S(=O)(=O)c1cccs1)[*:1]
CC[C@H](C)NC(=O)CCC(=O)N1CCOc2ccc(Cl)cc21 CC[C@H](C)[*:1] O=C(CCC(=O)N1CCOc2ccc(Cl)cc21)N[*:1]
CC[C@H](C)NC(=O)CCC(=O)N1CCOc2ccc(Cl)cc21 CC[C@H](C)NC(=O)[*:1] O=C(CC[*:1])N1CCOc2ccc(Cl)cc21
COc1cc(COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)ccc1C O=[N+]([O-])[*:1] COc1cc(ccc1C)COC(=O)Cn1nc(C)c(c1C)[*:1]
COc1cc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc(OC)c1 Fc1ccccc1[*:1] COc1cc(cc(c1)OC)NC(=O)c1nn(c(C)cc1=O)[*:1]
Cc1ccc([C@H](CNC(=O)C(C)C)N2CCOCC2)cc1 CC(C)C(=O)NC[*:1] Cc1ccc(cc1)[C@H](N1CCOCC1)[*:1]
Cc1ccc([C@H](CNC(=O)C(C)C)N2CCOCC2)cc1 CC(C)C(=O)N[*:1] Cc1ccc(cc1)[C@H](C[*:1])N1CCOCC1
Cc1ccc([C@H](CNC(=O)C(C)C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)C(C)C)[*:1]
Cc1ccc([C@H](CNC(=O)C(C)C)N2CCOCC2)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)[*:1])N1CCOCC1
Cc1ccc([C@H](CNC(=O)C(C)C)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] CC(C)C(=O)NC[C@H](N1CCOCC1)[*:1]
C[C@H]1CN([C@@H](C)C(=O)NC2CCCC2)CCO1 C1CCC(C1)[*:1] C[C@H]1CN(CCO1)[C@@H](C)C(=O)N[*:1]
CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccc(C)cc3)nn21 CCO[*:1] Cc1ccc(cc1)-c1nc2NC(=O)[C@H](CC(=O)Nc3ccccc3[*:1])n2n1
CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccc(C)cc3)nn21 Cc1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(nn21)[*:1]
CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccc(C)cc3)nn21 CCOc1ccccc1[*:1] Cc1ccc(cc1)-c1nc2NC(=O)[C@H](CC(=O)N[*:1])n2n1
C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(ccc1Cl)[*:1]
COc1cc(C#N)ccc1OCCOc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] COc1cc(C#N)ccc1OCCOc1ccc(c(Cl)c1)[*:1]
O=C([O-])Cc1ccccc1[C@H]1CCC[NH2+]1 O=C([O-])[*:1] c1ccc(c(c1)C[*:1])[C@H]1CCC[NH2+]1
O=C([O-])Cc1ccccc1[C@H]1CCC[NH2+]1 O=C([O-])C[*:1] c1ccc(c(c1)[C@H]1CCC[NH2+]1)[*:1]
CC[C@@](C)(CNC(=O)c1c(C)noc1C(C)C)N1CCOCC1 CC(C)[*:1] CC[C@@](C)(CNC(=O)c1c(C)noc1[*:1])N1CCOCC1
CC[C@@](C)(CNC(=O)c1c(C)noc1C(C)C)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)(CNC(=O)c1c(C)noc1C(C)C)[*:1]
CCn1cnnc1CNC(=O)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] CCn1cnnc1CNC(=O)N1CC[NH+](CC1)C[*:1]
CCn1cnnc1CNC(=O)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] CCn1cnnc1CNC(=O)N1CC[NH+](CC1)[*:1]
CCn1cnnc1CNC(=O)N1CC[NH+](CC2CC2)CC1 CCn1cnnc1[*:1] O=C(NC[*:1])N1CC[NH+](CC1)CC1CC1
CC(=O)c1sc(N(C(=O)c2cc(C3CC3)nc3onc(C)c23)[C@@H](C)c2ccccc2)nc1C CC(=O)[*:1] Cc1nc(sc1[*:1])N(C(=O)c1cc(nc2onc(C)c12)C1CC1)[C@@H](C)c1ccccc1
CC(=O)c1sc(N(C(=O)c2cc(C3CC3)nc3onc(C)c23)[C@@H](C)c2ccccc2)nc1C C[C@@H](c1ccccc1)[*:1] CC(=O)c1sc(nc1C)N(C(=O)c1cc(nc2onc(C)c12)C1CC1)[*:1]
CC(=O)c1sc(N(C(=O)c2cc(C3CC3)nc3onc(C)c23)[C@@H](C)c2ccccc2)nc1C C1CC1[*:1] CC(=O)c1sc(nc1C)N(C(=O)c1cc(nc2onc(C)c12)[*:1])[C@@H](C)c1ccccc1
CC(=O)c1sc(N(C(=O)c2cc(C3CC3)nc3onc(C)c23)[C@@H](C)c2ccccc2)nc1C c1ccc(cc1)[*:1] CC(=O)c1sc(nc1C)N(C(=O)c1cc(nc2onc(C)c12)C1CC1)[C@@H](C)[*:1]
CC(=O)c1sc(N(C(=O)c2cc(C3CC3)nc3onc(C)c23)[C@@H](C)c2ccccc2)nc1C CC(=O)c1sc(nc1C)[*:1] Cc1noc2nc(cc(C(=O)N([C@@H](C)c3ccccc3)[*:1])c12)C1CC1
C#CCN1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 C#CC[*:1] C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(CC1)[*:1]
C#CCN1CCN([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] C#CCN1CCN(CC1)[C@@H](C)C(=O)N(C)C[*:1]
O=C(c1csc(-c2cccs2)n1)N1CCC[C@H]1c1ccsc1 c1cc(cs1)[*:1] O=C(c1csc(n1)-c1cccs1)N1CCC[C@@H]1[*:1]
O=C(c1csc(-c2cccs2)n1)N1CCC[C@H]1c1ccsc1 c1csc(c1)[*:1] O=C(c1csc(n1)[*:1])N1CCC[C@H]1c1ccsc1
Cc1cc(N2CCC(C(=O)NCc3ccccc3F)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 Fc1ccccc1[*:1] Cc1cc(N2CCC(CC2)C(=O)NC[*:1])n2nc(cc2n1)-c1ccc(Cl)cc1
Cc1cc(N2CCC(C(=O)NCc3ccccc3F)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 O=C(NCc1ccccc1F)[*:1] Cc1cc(N2CCC(CC2)[*:1])n2nc(cc2n1)-c1ccc(Cl)cc1
Cc1cc(N2CCC(C(=O)NCc3ccccc3F)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 Fc1ccccc1C[*:1] Cc1cc(N2CCC(CC2)C(=O)N[*:1])n2nc(cc2n1)-c1ccc(Cl)cc1
Cc1cc(N2CCC(C(=O)NCc3ccccc3F)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 Clc1ccc(cc1)[*:1] Cc1cc(N2CCC(CC2)C(=O)NCc2ccccc2F)n2nc(cc2n1)[*:1]
COCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1Cl COC[*:1] CC1=C(C(=O)OC[*:1])[C@H](NC(=O)N1C)c1ccccc1Cl
COCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1Cl COCC[*:1] CC1=C(C(=O)O[*:1])[C@H](NC(=O)N1C)c1ccccc1Cl
COCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1Cl COCCOC(=O)[*:1] CC1=C([C@H](NC(=O)N1C)c1ccccc1Cl)[*:1]
COCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] COCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1[*:1]
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(CC1)[*:1]
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(CC1)c1ccccc1)N[*:1]
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1C Cc1ccc(cc1C)NC(=O)[*:1] O=C1NCCN(C(=O)C[NH+]2CCN(CC2)c2ccccc2)[C@@H]1C[*:1]
C[C@@H]1CCCN(C(=O)CCCn2ccnn2)[C@@H]1C c1cn(nn1)[*:1] C[C@@H]1CCCN(C(=O)CCC[*:1])[C@@H]1C
C[C@@H]1CCCN(C(=O)CCCn2ccnn2)[C@@H]1C c1cn(C[*:1])nn1 C[C@@H]1CCCN(C(=O)CC[*:1])[C@@H]1C
C[C@H](NC(=O)Nc1cc(F)ccc1-n1cccn1)[C@@H]1CCCO1 c1cnn(c1)[*:1] C[C@H](NC(=O)Nc1cc(F)ccc1[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)Nc1cc(F)ccc1-n1cccn1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)Nc1cc(F)ccc1-n1cccn1)[*:1]
Cc1ocnc1CNC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 Cc1ocnc1[*:1] C[C@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)NC[*:1]
Cc1ocnc1CNC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] Cc1ocnc1CNC(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
Cc1ocnc1CNC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 Cc1ocnc1C[*:1] C[C@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)N[*:1]
C[C@@H]1CN(CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C(C)(C)CO1 FC(F)(F)[*:1] C[C@@H]1CN(CC(=O)N[C@@H]2CCC[C@H](C2)[*:1])C(C)(C)CO1
CCn1nc(C)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1C c1ccc(cc1)C[*:1] CCn1nc(C)c(c1C)S(=O)(=O)N1CCC(CC1)[*:1]
CCn1nc(C)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(c1C)S(=O)(=O)N1CCC(CC1)C[*:1]
Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H](CO)c2ccccc2F)c1C NS(=O)(=O)[*:1] Cc1cc(cc(C(=O)N[C@@H](CO)c2ccccc2F)c1C)[*:1]
Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H](CO)c2ccccc2F)c1C Fc1ccccc1[*:1] Cc1cc(cc(C(=O)N[C@@H](CO)[*:1])c1C)S(N)(=O)=O
CNC(=O)c1ccc(Cl)c(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c1 CNC(=O)[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1cc(ccc1Cl)[*:1]
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCc1ccccc1)[C@@H]1CN(C[C@@H]1c1cccc(c1)[*:1])C(=O)c1ccccc1
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1)[C@@H]1CN(C[C@@H]1c1cccc(c1)C(F)(F)F)C(=O)[*:1]
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(NCc1ccccc1)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccccc1
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1 O=C(NCc1ccccc1)[*:1] O=C(c1ccccc1)N1C[C@H](c2cccc(c2)C(F)(F)F)[C@@H](C1)[*:1]
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CN(C[C@@H]1c1cccc(c1)C(F)(F)F)C(=O)c1ccccc1
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1 c1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CN(C[C@@H]1c1cccc(c1)C(F)(F)F)C(=O)c1ccccc1
O=C(/C=C/c1cccs1)Nc1ccc(C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)C(=O)NC[*:1]
O=C(/C=C/c1cccs1)Nc1ccc(C(=O)NCc2ccccc2)cc1 c1csc(c1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)C(=O)NCc1ccccc1
O=C(/C=C/c1cccs1)Nc1ccc(C(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)C(=O)N[*:1]
O=C(/C=C/c1cccs1)Nc1ccc(C(=O)NCc2ccccc2)cc1 C(=C[*:1])c1cccs1 O=C(NCc1ccccc1)c1ccc(cc1)NC(=O)[*:1]
CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2cncc(C)c2)cc1 Cc1cncc(c1)[*:1] CCSc1ccc(cc1)[C@@H](C)NC(=O)C(=O)N[*:1]
CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2cncc(C)c2)cc1 CCS[*:1] Cc1cncc(c1)NC(=O)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CC(=O)NC(C)(C)c1noc(COc2ccc(Cl)c3cccnc23)n1 CC(=O)NC(C)(C)[*:1] Clc1ccc(OCc2nc(no2)[*:1])c2ncccc12
CC(=O)NC(C)(C)c1noc(COc2ccc(Cl)c3cccnc23)n1 CC(=O)N[*:1] CC(C)(c1noc(COc2ccc(Cl)c3cccnc23)n1)[*:1]
NS(=O)(=O)c1cc([C@@]2(O)NC(=O)c3ccccc32)ccc1Cl NS(=O)(=O)[*:1] O=C1N[C@](O)(c2ccc(Cl)c(c2)[*:1])c2ccccc21
COCc1nnc(NC(=O)/C=C/c2cc(Br)ccc2OC)s1 COC[*:1] COc1ccc(Br)cc1/C=C/C(=O)Nc1nnc(s1)[*:1]
CCCc1nc(NC(=O)Cc2csc(-c3cnccn3)n2)sc1CC c1cnc(cn1)[*:1] CCCc1nc(NC(=O)Cc2csc(n2)[*:1])sc1CC
CCCc1nc(NC(=O)Cc2csc(-c3cnccn3)n2)sc1CC CCC[*:1] CCc1sc(nc1[*:1])NC(=O)Cc1csc(n1)-c1cnccn1
NCc1ccc(C(F)(F)F)nc1Oc1ccccc1F FC(F)(F)[*:1] NCc1ccc(nc1Oc1ccccc1F)[*:1]
NC(=O)c1ccc(/C=C/C(=O)NNc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] NC(=O)c1ccc(/C=C/C(=O)NN[*:1])cc1
NC(=O)c1ccc(/C=C/C(=O)NNc2cccc(Cl)c2)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NNc1cccc(Cl)c1
Cc1cnc2c(C(=O)N3CC[C@@H](C(=O)NCCc4c[nH]c5ccccc45)C3)cnn2c1 c1ccc2c(c[nH]c2c1)C[*:1] Cc1cnc2c(cnn2c1)C(=O)N1CC[C@H](C1)C(=O)NC[*:1]
Cc1cnc2c(C(=O)N3CC[C@@H](C(=O)NCCc4c[nH]c5ccccc45)C3)cnn2c1 Cc1cnc2c(cnn2c1)[*:1] O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCN(C1)C(=O)[*:1]
Cc1cnc2c(C(=O)N3CC[C@@H](C(=O)NCCc4c[nH]c5ccccc45)C3)cnn2c1 c1ccc2c(c[nH]c2c1)[*:1] Cc1cnc2c(cnn2c1)C(=O)N1CC[C@H](C1)C(=O)NCC[*:1]
CCOc1ccc2c(c1)CN(C(=O)c1c(C)nc([O-])nc1SC)CC2 CCO[*:1] CSc1nc([O-])nc(C)c1C(=O)N1CCc2ccc(cc2C1)[*:1]
COc1cc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1F O=[N+]([O-])[*:1] COc1cc(ccc1F)[C@H](C)N[C@@H](C)c1cccc(c1C)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N(C)[C@@H](C)c1ccco1 c1coc(c1)[*:1] CC(=O)N(CCc1ccccc1)CC(=O)N(C)[C@@H](C)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N(C)[C@@H](C)c1ccco1 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)N(C)[C@@H](C)c1ccco1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N(C)[C@@H](C)c1ccco1 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)N(C)[C@@H](C)c1ccco1)C[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N(C)[C@@H](C)c1ccco1 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)N(C)[C@@H](C)c1ccco1
CC(=O)OCC(=O)NC(=O)Nc1ccc(C)cc1C CC(=O)O[*:1] Cc1ccc(NC(=O)NC(=O)C[*:1])c(C)c1
CC(=O)OCC(=O)NC(=O)Nc1ccc(C)cc1C CC(=O)OC[*:1] Cc1ccc(NC(=O)NC(=O)[*:1])c(C)c1
C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)O)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1[*:1])NC(=O)NCC(C)(C)O
C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)O)CN1c1ccccc1 CC(C)(O)[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)NC[*:1]
C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)O)CN1c1ccccc1 CC(C)(O)C[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)N[*:1]
Cc1ncccc1C(=O)NCCCO OCC[*:1] Cc1ncccc1C(=O)NC[*:1]
Cc1ncccc1C(=O)NCCCO OCCC[*:1] Cc1ncccc1C(=O)N[*:1]
CSCc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 C1CC1[*:1] CSCc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CSCc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 CSC[*:1] O=C(Nc1cccc(c1)C(=O)NC1CC1)c1ccc(cc1)[*:1]
CSCc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 O=C(NC1CC1)[*:1] CSCc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
CCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2-n2cnnn2)C1 c1nnnn1[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccccc1[*:1]
CN(Cc1cnn(C)c1)C(=O)CNc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 O=C(N1CCC[C@@H](O)C1)[*:1] CN(Cc1cnn(C)c1)C(=O)CNc1cccc(c1)[*:1]
CN(Cc1cnn(C)c1)C(=O)CNc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)CNc1cccc(c1)C(=O)N1CCC[C@@H](O)C1
CN(Cc1cnn(C)c1)C(=O)CNc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 Cn1cc(cn1)C[*:1] CN(C(=O)CNc1cccc(c1)C(=O)N1CCC[C@@H](O)C1)[*:1]
Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 c1ccc2nc(ccc2c1)[*:1] Cc1ccc(cc1)CNC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 Cc1ccc(cc1)CNC(=O)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc4ccccc4n3)c21)[*:1]
Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 Cc1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc4ccccc4n3)c21)C(=O)NC[*:1]
Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 Cc1ccc(cc1)C[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc4ccccc4n3)c21)C(=O)N[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)N[C@H]2CC(=O)N(C3CC3)C2)o1 C1CC1[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)N[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)N[C@H]2CC(=O)N(C3CC3)C2)o1 Cc1ccc(o1)[*:1] O=C1C[C@@H](CN1C1CC1)NC(=O)N1CCSC[C@@H]1[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 CC(C)NC(=O)[*:1] CCN(C[*:1])C(=O)c1ccc2c(=O)n3CCCCCCc3nc2c1
CCN(CC(=O)NC(C)C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 CC(C)[*:1] CCN(CC(=O)N[*:1])C(=O)c1ccc2c(=O)n3CCCCCCc3nc2c1
CCN(CC(=O)NC(C)C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 CC(C)NC(=O)C[*:1] CCN(C(=O)c1ccc2c(=O)n3CCCCCCc3nc2c1)[*:1]
CN1C(=O)c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C1=O Clc1cccc(c1)[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)N1CCN(CC1)[*:1]
CONC(=O)Cn1nnc(-c2ccccc2)n1 CONC(=O)[*:1] c1ccc(cc1)-c1nnn(C[*:1])n1
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cccs1 C1CCN(C1)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])[*:1])N1CCC[C@H]1c1cccs1
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cccs1 O=[N+]([O-])[*:1] O=C(c1ccc(c(c1)[*:1])N1CCCC1)N1CCC[C@H]1c1cccs1
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)N1CCC[C@@H]1[*:1]
CNC(=O)NCC(=O)N[C@H]1CCSc2ccc(F)cc21 CNC(=O)N[*:1] O=C(C[*:1])N[C@H]1CCSc2ccc(F)cc21
CNC(=O)NCC(=O)N[C@H]1CCSc2ccc(F)cc21 CNC(=O)NC[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)[*:1]
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] CN(C)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 COc1cccc(c1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C(O)C(=O)N(c2nccs2)[C@H]1[*:1]
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 c1csc(n1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)c2ccc3O[C@H](C)Cc3c2)=C(O)C(=O)N1[*:1]
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F c1cnn(c1)[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F FC(F)(F)[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(cc1[*:1])-n1cccn1
CC(C)c1ccccc1[C@H](N)C[NH3+] CC(C)[*:1] N[C@H](C[NH3+])c1ccccc1[*:1]
O=C(NCCCc1ccccc1)N1CCCCC[C@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(NCCCc1ccccc1)N1CCCCC[C@@H]1[*:1]
O=C(NCCCc1ccccc1)N1CCCCC[C@H]1c1ccncc1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])N1CCCCC[C@H]1c1ccncc1
O=C(NCCCc1ccccc1)N1CCCCC[C@H]1c1ccncc1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])N1CCCCC[C@H]1c1ccncc1
O=C(NCCCc1ccccc1)N1CCCCC[C@H]1c1ccncc1 c1ccc(cc1)CC[*:1] O=C(NC[*:1])N1CCCCC[C@H]1c1ccncc1
COc1ccc([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@H]1CC(O)=Nc2c1cnn2[*:1]
O=C(NCCc1ccc(F)cc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1ccc(F)cc1)N1CCC[C@H]1C[C@H](O)[*:1]
O=C(NCCc1ccc(F)cc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])N1CCC[C@H]1C[C@H](O)c1ccccc1
O=C(NCCc1ccc(F)cc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 Fc1ccc(cc1)C[*:1] O=C(NC[*:1])N1CCC[C@H]1C[C@H](O)c1ccccc1
O=C(NCCc1ccc(F)cc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] O=C(NCCc1ccc(F)cc1)N1CCC[C@H]1C[*:1]
O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(Cl)c[nH]1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cc(Cl)c[nH]1
O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(Cl)c[nH]1 Clc1c[nH]c(c1)[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])N1CCOCC1
CCOc1cc(/C=C/[N+](=O)[O-])cc(I)c1O CCO[*:1] O=[N+]([O-])/C=C/c1cc(I)c(O)c(c1)[*:1]
CCOc1cc(/C=C/[N+](=O)[O-])cc(I)c1O O=[N+]([O-])[*:1] CCOc1cc(C=C[*:1])cc(I)c1O
CCOc1cc(/C=C/[N+](=O)[O-])cc(I)c1O O=[N+]([O-])C=C[*:1] CCOc1cc(cc(I)c1O)[*:1]
Cc1ccccc1NC(=O)c1nc(N2CCSCC2)c2cn(C)nc2n1 Cc1ccccc1[*:1] Cn1cc2c(nc(nc2n1)C(=O)N[*:1])N1CCSCC1
Cc1ccccc1NC(=O)c1nc(N2CCSCC2)c2cn(C)nc2n1 C1CN(CCS1)[*:1] Cc1ccccc1NC(=O)c1nc(c2cn(C)nc2n1)[*:1]
CC[C@H](NC(=O)CS(=O)(=O)CC(C)C)c1cccc(Cl)c1 CC(C)CS(=O)(=O)[*:1] CC[C@H](NC(=O)C[*:1])c1cccc(Cl)c1
CC[C@H](NC(=O)CS(=O)(=O)CC(C)C)c1cccc(Cl)c1 CC(C)[*:1] CC[C@H](NC(=O)CS(=O)(=O)C[*:1])c1cccc(Cl)c1
CC[C@H](NC(=O)CS(=O)(=O)CC(C)C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H](NC(=O)CS(=O)(=O)CC(C)C)[*:1]
CC[C@H](NC(=O)CS(=O)(=O)CC(C)C)c1cccc(Cl)c1 CC(C)C[*:1] CC[C@H](NC(=O)CS(=O)(=O)[*:1])c1cccc(Cl)c1
Cc1cncc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 Cc1cncc(c1)[*:1] C[NH+](C)CCNC(=O)Cn1cc(cn1)NC(=O)[*:1]
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]12 CC(=O)S[*:1] C[C@]12CC[C@@H]3[C@@H]([C@@H]1CC[C@@]21CCC(=O)O1)[C@@H](CC1=CC(=O)CC[C@@]13C)[*:1]
CC(=O)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1 CC(=O)[*:1] O=C(CCC(=O)c1ccc2CCCCc2c1)Nc1ccc(cc1)[*:1]
C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@@H](C1)[*:1]
Cn1cnc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 Cn1cnc(n1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])NC[*:1]
Cn1cnc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cn1cnc(CNC(=O)Cc2ccc(cc2)[*:1])n1
C1=C(c2ccccc2)N=N[C@@H]1[C@@H]1NN[C@H]2SC(c3ccccc3)=NN21 c1ccc(cc1)[*:1] C1=C(N=N[C@@H]1[C@@H]1NN[C@H]2SC(=NN21)[*:1])c1ccccc1
C1=C(c2ccccc2)N=N[C@@H]1[C@@H]1NN[C@H]2SC(c3ccccc3)=NN21 c1ccc(cc1)[*:1] C1=C(N=N[C@@H]1[C@@H]1NN[C@H]2SC(=NN21)c1ccccc1)[*:1]
Cc1noc(C(C)C)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 CC(C)[*:1] Cc1noc(c1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)[*:1]
Cc1noc(C(C)C)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1noc(c1C(=O)N1CCN(CC1)C(c1ccccc1)[*:1])C(C)C
Cc1noc(C(C)C)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 Cc1noc(c1[*:1])C(C)C O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)[*:1]
C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)C1 c1coc(c1)[*:1] C[C@@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)NC(=O)[*:1]
O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1c([nH]n(-c3ccccc3)c1=O)N2 Clc1ccc(cc1)[*:1] O=C1CCCC2Nc3[nH]n(-c4ccccc4)c(=O)c3[C@H](C=21)[*:1]
O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1c([nH]n(-c3ccccc3)c1=O)N2 c1ccc(cc1)[*:1] O=C1CCCC2Nc3[nH]n(c(=O)c3[C@@H](C=21)c1ccc(Cl)cc1)[*:1]
Cc1cccc(OCCN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 Cc1cccc(c1)O[*:1] CN(CC[*:1])C(=O)c1ccc(Cl)c(c1)[N+](=O)[O-]
Cc1cccc(OCCN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 Cc1cccc(c1)[*:1] CN(CCO[*:1])C(=O)c1ccc(Cl)c(c1)[N+](=O)[O-]
Cc1cccc(OCCN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)OCCN(C)C(=O)c1ccc(Cl)c(c1)[*:1]
Cc1nc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccc1Br O=C([O-])[*:1] Cc1nc(ccc1Br)NC(=O)[C@@H]1CCC[C@@H](C1)[*:1]
Cc1ccccc1COC1CCN(C(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 Cc1ccccc1[*:1] O=C(N[C@H]1CCOC2(CCCC2)C1)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 Cc1ccccc1CO[*:1] O=C(N[C@H]1CCOC2(CCCC2)C1)N1CCC(CC1)[*:1]
Cc1ccccc1COC1CCN(C(=O)N[C@H]2CCOC3(CCCC3)C2)CC1 Cc1ccccc1C[*:1] O=C(N[C@H]1CCOC2(CCCC2)C1)N1CCC(CC1)O[*:1]
COc1ccc(C(=O)OCc2ccc(Br)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)OCc1ccc(Br)cc1
COc1ccc(C(=O)OCc2ccc(Br)cc2)cc1[N+](=O)[O-] Brc1ccc(cc1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)OC[*:1]
COc1cccc(Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1 COc1cccc(c1)[*:1] O=[N+]([O-])c1cc(ccc1O[*:1])S(=O)(=O)Nc1ccccc1
COc1cccc(Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1 COc1cccc(c1)O[*:1] O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)Nc1ccccc1
COc1cccc(Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cccc(c1)Oc1ccc(cc1[*:1])S(=O)(=O)Nc1ccccc1
COc1cccc(Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1 c1ccc(cc1)[*:1] COc1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N[*:1]
COc1ncccc1C(=O)NCCNc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] COc1ncccc1C(=O)NCCNc1nnnn1[*:1]
COc1ncccc1C(=O)NCCNc1nnnn1-c1ccccc1 COc1ncccc1[*:1] O=C(NCCNc1nnnn1-c1ccccc1)[*:1]
CC[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1C)[*:1]
CC[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1C)c1ccc(C)cc1 NC(=O)[*:1] CC[C@H](NC(=O)C(=O)Nc1cccc(c1C)[*:1])c1ccc(C)cc1
Cc1cc(CNC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)no1 Cc1cc(C[*:1])no1 Cn1[nH]c(=O)c2c(cc(nc21)C1CC1)C(=O)N[*:1]
Cc1cc(CNC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)no1 C1CC1[*:1] Cc1cc(CNC(=O)c2cc(nc3c2c(=O)[nH]n3C)[*:1])no1
Cc1cc(CNC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)no1 Cc1cc(no1)[*:1] Cn1[nH]c(=O)c2c(cc(nc21)C1CC1)C(=O)NC[*:1]
Cc1cccc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)C(=O)N1CCC[C@@H]1C[*:1]
Cc1cccc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(N1CCC[C@@H]1CN1CCOCC1)[*:1]
Cc1cccc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c1 C1CN(CCO1)C[*:1] Cc1cccc(c1)C(=O)N1CCC[C@H]1[*:1]
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C2CCN(C(N)=O)CC2)C2CC2)o1 C1CC1[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C2CCN(CC2)C(N)=O)[*:1])o1
O=C(NC1CCN(C(=O)/C=C/c2cccc(Br)c2)CC1)c1ccccc1 Brc1cccc(c1)[*:1] O=C(NC1CCN(CC1)C(=O)C=C[*:1])c1ccccc1
O=C(NC1CCN(C(=O)/C=C/c2cccc(Br)c2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1cccc(Br)c1)N1CCC(CC1)NC(=O)[*:1]
O=C(NCc1ccccc1F)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 Fc1ccc(cc1Cl)[*:1] O=C(NCc1ccccc1F)c1ccc(cc1)NS(=O)(=O)[*:1]
O=C(NCc1ccccc1F)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 Fc1ccccc1C[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc(F)c(Cl)c1
O=C(NCc1ccccc1F)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 Fc1ccccc1[*:1] O=C(NC[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc(F)c(Cl)c1
CC(=O)N[C@H](C(=O)Oc1ccccc1Br)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@H](C(=O)Oc1ccccc1Br)[*:1]
CC(=O)N[C@H](C(=O)Oc1ccccc1Br)C1CCCC1 CC(=O)N[*:1] O=C(Oc1ccccc1Br)[C@H](C1CCCC1)[*:1]
C[C@@H]1CCc2c(sc3nc(SCC(=O)N4CCOCC4)n(-c4ccc(Cl)cc4)c(=O)c23)C1 O=C(C[*:1])N1CCOCC1 C[C@@H]1CCc2c(C1)sc1nc(S[*:1])n(-c3ccc(Cl)cc3)c(=O)c21
C[C@@H]1CCc2c(sc3nc(SCC(=O)N4CCOCC4)n(-c4ccc(Cl)cc4)c(=O)c23)C1 Clc1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(SCC(=O)N3CCOCC3)n(c(=O)c21)[*:1]
C[C@@H]1CCc2c(sc3nc(SCC(=O)N4CCOCC4)n(-c4ccc(Cl)cc4)c(=O)c23)C1 O=C(N1CCOCC1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(SC[*:1])n(-c3ccc(Cl)cc3)c(=O)c21
C[C@@H]1CCc2c(sc3nc(SCC(=O)N4CCOCC4)n(-c4ccc(Cl)cc4)c(=O)c23)C1 O=C(CS[*:1])N1CCOCC1 C[C@@H]1CCc2c(C1)sc1nc(n(-c3ccc(Cl)cc3)c(=O)c21)[*:1]
CC[NH2+][C@@H](Cc1ccnc2ccccc12)c1ncc[nH]1 c1c[nH]c(n1)[*:1] CC[NH2+][C@@H](Cc1ccnc2ccccc12)[*:1]
Cc1c(C(=O)N(c2ccc(C#N)cc2)C2CC2)cnn1Cc1ccccc1 C1CC1[*:1] Cc1c(cnn1Cc1ccccc1)C(=O)N(c1ccc(C#N)cc1)[*:1]
Cc1c(C(=O)N(c2ccc(C#N)cc2)C2CC2)cnn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1C[*:1])C(=O)N(c1ccc(C#N)cc1)C1CC1
Cc1c(C(=O)N(c2ccc(C#N)cc2)C2CC2)cnn1Cc1ccccc1 N#Cc1ccc(cc1)[*:1] Cc1c(cnn1Cc1ccccc1)C(=O)N(C1CC1)[*:1]
Cc1c(C(=O)N(c2ccc(C#N)cc2)C2CC2)cnn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1c(cnn1[*:1])C(=O)N(c1ccc(C#N)cc1)C1CC1
C#CCOc1ccc(CCN[C@@H](C)c2cnc3cc(C)nn3c2C)cc1 C#CCO[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)NCCc1ccc(cc1)[*:1]
C#CCOc1ccc(CCN[C@@H](C)c2cnc3cc(C)nn3c2C)cc1 C#CC[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)NCCc1ccc(cc1)O[*:1]
COc1ccc(Cl)cc1NC(=O)CCn1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)CCn1c(=O)cc(C)c2c(C)nn(c21)[*:1]
COc1ccc(Cl)cc1NC(=O)CCn1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21 COc1ccc(Cl)cc1[*:1] Cc1cc(=O)n(CCC(=O)N[*:1])c2c1c(C)nn2-c1ccccc1
Cc1csc([C@H](C)NC(=O)c2c(O)cc(F)cc2F)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)c1c(O)cc(F)cc1F)[*:1]
CSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1)N(C(C)=O)c1ccc(Cl)cc1-2 Fc1ccc(cc1)[*:1] CSc1nnc2-c3cc(Cl)ccc3N(C(C)=O)[C@H](Oc2n1)[*:1]
O=C(CCCCl)c1cccs1 ClCC[*:1] O=C(C[*:1])c1cccs1
O=C(CCSc1nnc([O-])[nH]c1=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCSc1nnc([O-])[nH]c1=O)N[*:1]
CSc1ccc(CNC(=O)COc2ncnc3oc(C)c(C)c23)cc1 CSc1ccc(cc1)[*:1] Cc1oc2ncnc(OCC(=O)NC[*:1])c2c1C
COc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)cc1OC COc1ccc(cc1OC)[*:1] O=C(NC[*:1])c1cc2C(=O)N(CCCn2n1)Cc1ccccc1
COc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)CNC(=O)c1cc2C(=O)N(CCCn2n1)[*:1]
COc1ccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CNC(=O)c1cc2C(=O)N(CCCn2n1)C[*:1]
CC(C)C[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1Cc2ccccc2C1=O CC(C)C[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H](N1Cc2ccccc2C1=O)[*:1]
CC(C)C[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1Cc2ccccc2C1=O CC(C)[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)[C@H](C[*:1])N1Cc2ccccc2C1=O
O=C(/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] O=C(/C=C/c1ccccc1)Nc1cc(ccc1Cl)[*:1]
O=C(/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1cc(ccc1Cl)C(F)(F)F
CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O NC(=O)C[*:1] CC[C@H](C)N1C(=O)[C@@H]2[C@H]([NH2+][C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O)[*:1]
CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O CC[C@H](C)[*:1] NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O NC(=O)[*:1] CC[C@H](C)N1C(=O)[C@@H]2[C@H](C[*:1])[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CC=C(c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)C=C[*:1])C(=O)N1CC=C(CC1)c1ccccc1
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CC=C(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CC=C(CC2)[*:1])cc1
CC[C@H](NC(=O)CCCc1cc(F)ccc1F)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@H](NC(=O)CCCc1cc(F)ccc1F)[*:1]
C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)[*:1]
C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccccc1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1])c1ccccc1
CCCOc1nc(Nc2ccc(Br)cc2C)ccc1N CCC[*:1] Cc1cc(Br)ccc1Nc1ccc(N)c(n1)O[*:1]
CCCOc1nc(Nc2ccc(Br)cc2C)ccc1N CCCO[*:1] Cc1cc(Br)ccc1Nc1ccc(N)c(n1)[*:1]
O=C(Nc1ccc(Oc2ncnc3sccc23)cc1)c1ccco1 O=C(N[*:1])c1ccco1 c1nc(Oc2ccc(cc2)[*:1])c2ccsc2n1
O=C(Nc1ccc(Oc2ncnc3sccc23)cc1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)Oc1ncnc2sccc12)[*:1]
CCOc1ccc(O[C@H]2CCC[C@H](O)C2)cc1 CCO[*:1] O[C@H]1CCC[C@@H](C1)Oc1ccc(cc1)[*:1]
C=CCN1C(=O)N/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O Fc1cccc(c1)[*:1] C=CCN1C(=O)N/C(=C/c2ccc(o2)[*:1])C1=O
C=CCN1C(=O)N/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O C=CC[*:1] O=C1N/C(=C/c2ccc(o2)-c2cccc(F)c2)C(=O)N1[*:1]
COC(=O)N1CCC[C@H]1C(=O)NCc1c(F)cccc1OC(F)F FC(F)O[*:1] COC(=O)N1CCC[C@H]1C(=O)NCc1c(F)cccc1[*:1]
COC(=O)N1CCC[C@H]1C(=O)NCc1c(F)cccc1OC(F)F FC(F)[*:1] COC(=O)N1CCC[C@H]1C(=O)NCc1c(F)cccc1O[*:1]
Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-] Cc1ccc(cc1[N+](=O)[O-])[*:1] O=C(OCC(=O)[*:1])c1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
CS(=O)(=O)CCN1CCc2ccc([N+](=O)[O-])cc2C1 CS(=O)(=O)CC[*:1] O=[N+]([O-])c1ccc2CCN(Cc2c1)[*:1]
CS(=O)(=O)CCN1CCc2ccc([N+](=O)[O-])cc2C1 CS(=O)(=O)C[*:1] O=[N+]([O-])c1ccc2CCN(Cc2c1)C[*:1]
CS(=O)(=O)CCN1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] CS(=O)(=O)CCN1CCc2ccc(cc2C1)[*:1]
CS(=O)(=O)CCN1CCc2ccc([N+](=O)[O-])cc2C1 CS(=O)(=O)[*:1] O=[N+]([O-])c1ccc2CCN(CC[*:1])Cc2c1
COc1ccc(C)cc1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] COc1ccc(C)cc1N[C@@H]1CCN(C1=O)c1cccc(c1)[*:1]
COCCN1C[C@H](C(=O)Nc2cccnc2-n2cccn2)CC1=O c1cnn(c1)[*:1] COCCN1C[C@@H](CC1=O)C(=O)Nc1cccnc1[*:1]
COCCN1C[C@H](C(=O)Nc2cccnc2-n2cccn2)CC1=O COC[*:1] O=C(Nc1cccnc1-n1cccn1)[C@@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@H](C(=O)Nc2cccnc2-n2cccn2)CC1=O COCC[*:1] O=C(Nc1cccnc1-n1cccn1)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] c1ncn(n1)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)c1ccc(Cl)cc1[*:1]
COC(=O)C1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)[C@@H](C(=O)NC1CC1)[*:1]
COC(=O)C1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 O=C(NC1CC1)[*:1] COC(=O)C1CCN(CC1)[C@@H](c1ccccc1)[*:1]
COC(=O)C1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 COC(=O)[*:1] O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC(CC1)[*:1]
COC(=O)C1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 C1CC1[*:1] COC(=O)C1CCN(CC1)[C@@H](C(=O)N[*:1])c1ccccc1
CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CCc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](C)C(=O)Nc1cc(ccc1C)[*:1]
CC1=N[C@H]2c3c(oc(C(=O)NCc4cccc(Cl)c4)c3C)CC[C@H]2S1 Clc1cccc(c1)C[*:1] CC1=N[C@H]2c3c(CC[C@H]2S1)oc(C(=O)N[*:1])c3C
CC1=N[C@H]2c3c(oc(C(=O)NCc4cccc(Cl)c4)c3C)CC[C@H]2S1 Clc1cccc(c1)[*:1] CC1=N[C@H]2c3c(CC[C@H]2S1)oc(C(=O)NC[*:1])c3C
CN(C)C(=O)[C@H]1[C@H](C(=O)N(C)C)C1(c1ccccc1)c1ccccc1 CN(C)C(=O)[*:1] CN(C)C(=O)[C@H]1[C@@H](C1(c1ccccc1)c1ccccc1)[*:1]
CN(C)C(=O)[C@H]1[C@H](C(=O)N(C)C)C1(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H]1[C@H](C(=O)N(C)C)C1(c1ccccc1)[*:1]
COCCn1cc(NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cn1 COCC[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)Nc1cnn(c1)[*:1]
COCCn1cc(NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cn1 COC[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)Nc1cnn(c1)C[*:1]
COCCn1cc(NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cn1 c1ccc(cc1)[*:1] COCCn1cc(cn1)NC(=O)N1C[C@@H](C)O[C@H](C1)[*:1]
CC(C)c1nc([C@H](C)NC(=O)c2nc(Cl)ccc2Cl)cs1 CC(C)[*:1] C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1csc(n1)[*:1]
COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 COc1ccc(cc1)[*:1] O=C(NC(=S)Nc1ccc2oc(nc2c1)-c1ccc(O)c(Br)c1)[*:1]
COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 Oc1ccc(cc1Br)[*:1] COc1ccc(cc1)C(=O)NC(=S)Nc1ccc2oc(nc2c1)[*:1]
COCc1cc(C(=O)N(C)Cc2nnc(C3CC3)n2C)ccc1F C1CC1[*:1] COCc1cc(ccc1F)C(=O)N(C)Cc1nnc(n1C)[*:1]
COCc1cc(C(=O)N(C)Cc2nnc(C3CC3)n2C)ccc1F COC[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccc(F)c(c1)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nc(C(C)(C)C)ccc1=O O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)Cn1nc(ccc1=O)C(C)(C)C)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nc(C(C)(C)C)ccc1=O CC(C)(C)[*:1] COc1cc(ccc1NC(=O)Cn1nc(ccc1=O)[*:1])[N+](=O)[O-]
Nn1c(SCC(=O)OCc2ccccc2)nnc1-c1ccccc1Br c1ccc(cc1)[*:1] Nn1c(nnc1-c1ccccc1Br)SCC(=O)OC[*:1]
Nn1c(SCC(=O)OCc2ccccc2)nnc1-c1ccccc1Br c1ccc(cc1)C[*:1] Nn1c(nnc1-c1ccccc1Br)SCC(=O)O[*:1]
Nn1c(SCC(=O)OCc2ccccc2)nnc1-c1ccccc1Br Brc1ccccc1[*:1] Nn1c(nnc1[*:1])SCC(=O)OCc1ccccc1
Cc1ccn2ncc(C(=O)NCCCNC(=O)C3CCCCC3)c2c1 C1CCC(CC1)[*:1] Cc1ccn2ncc(C(=O)NCCCNC(=O)[*:1])c2c1
O=C([O-])[C@]1([NH2+]C2CC2)CC[C@@H](SCCCO)C1 OCC[*:1] O=C([O-])[C@@]1(CC[C@H](C1)SC[*:1])[NH2+]C1CC1
O=C([O-])[C@]1([NH2+]C2CC2)CC[C@@H](SCCCO)C1 OCCC[*:1] O=C([O-])[C@@]1(CC[C@H](C1)S[*:1])[NH2+]C1CC1
O=C([O-])[C@]1([NH2+]C2CC2)CC[C@@H](SCCCO)C1 O=C([O-])[*:1] OCCCS[C@@H]1CC[C@](C1)([NH2+]C1CC1)[*:1]
O=C([O-])[C@]1([NH2+]C2CC2)CC[C@@H](SCCCO)C1 OCCCS[*:1] O=C([O-])[C@@]1(CC[C@@H](C1)[*:1])[NH2+]C1CC1
O=C([O-])[C@]1([NH2+]C2CC2)CC[C@@H](SCCCO)C1 C1CC1[*:1] O=C([O-])[C@@]1(CC[C@H](C1)SCCCO)[NH2+][*:1]
CC[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])[*:1]
CC[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] CC[C@@H](C(=O)Nc1ccc(C)cc1[*:1])c1ccccc1
CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CSc1nc2ccccc2c(=O)n1C[*:1]
CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CSc1nc2ccccc2c(=O)n1[*:1]
O=C(CC1=c2ccccc2=[NH+]C1)OCc1nc2ccccc2n1C(F)F FC(F)[*:1] O=C(CC1C[NH+]=c2ccccc2=1)OCc1nc2ccccc2n1[*:1]
CCC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 c1coc(c1)[*:1] CCC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C[*:1]
CCC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 CCC(C)(C)[*:1] Cc1c(C#N)c(NC(=O)C[NH2+][*:1])n(Cc2ccco2)c1C
CCC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 c1coc(c1)C[*:1] CCC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1[*:1]
COc1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(/C=C2\N=C(OC2=O)c2ccc3ccccc3c2)cc1[*:1]
CC(C)CCC[C@H](C)NC(=O)Cn1c(=O)oc2cccnc21 CC(C)[*:1] C[C@@H](CCC[*:1])NC(=O)Cn1c(=O)oc2cccnc21
CC(C)CCC[C@H](C)NC(=O)Cn1c(=O)oc2cccnc21 CC(C)CC[*:1] C[C@@H](C[*:1])NC(=O)Cn1c(=O)oc2cccnc21
CC(C)CCC[C@H](C)NC(=O)Cn1c(=O)oc2cccnc21 CC(C)CCC[*:1] C[C@H](NC(=O)Cn1c(=O)oc2cccnc21)[*:1]
CC(C)CCC[C@H](C)NC(=O)Cn1c(=O)oc2cccnc21 CC(C)C[*:1] C[C@@H](CC[*:1])NC(=O)Cn1c(=O)oc2cccnc21
O=C(Cn1cnc2ccccc2c1=O)N1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Cn1cnc2ccccc2c1=O)N1CC[C@](O)(C1)[*:1]
Cc1cc(C#N)c(N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)nc1C c1ccc(nc1)[*:1] Cc1cc(C#N)c(nc1C)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
Cc1cc(C#N)c(N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)nc1C c1ccc(C[*:1])nc1 Cc1cc(C#N)c(nc1C)N1CCC2(CCC(=O)N(C2)[*:1])CC1
C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCc1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCc1nc(no1)[*:1]
COC(=O)Nc1ccc(OC(=O)CCn2ccc3ccccc32)cc1 COC(=O)N[*:1] O=C(CCn1ccc2ccccc21)Oc1ccc(cc1)[*:1]
CCC[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1C CCC[*:1] Cc1cc(Cl)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1[*:1]
C[C@H](NC(=O)NCCCC(C)(C)C)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)NCCCC(C)(C)C)c1nc(no1)[*:1]
C[C@H](NC(=O)NCCCC(C)(C)C)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)NCCC[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)NCCCC(C)(C)C)c1nc(C(C)(C)C)no1 CC(C)(C)CC[*:1] C[C@H](NC(=O)NC[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)NCCCC(C)(C)C)c1nc(C(C)(C)C)no1 CC(C)(C)C[*:1] C[C@H](NC(=O)NCC[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)NCCCC(C)(C)C)c1nc(C(C)(C)C)no1 CC(C)(C)CCC[*:1] C[C@H](NC(=O)N[*:1])c1nc(no1)C(C)(C)C
C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 CC(=O)[*:1] C[NH2+]C[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2cc(C)n[nH]2)C1 C=C(C)[*:1] CC1=CC[C@H](C/C1=N\NC(=O)c1cc(C)n[nH]1)[*:1]
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2cc(C)n[nH]2)C1 Cc1cc([nH]n1)[*:1] C=C(C)[C@@H]1CC=C(C)/C(C1)=N/NC(=O)[*:1]
COC(=O)CN(CC#N)Cc1c(C)cc(Cl)cc1C COC(=O)C[*:1] Cc1cc(Cl)cc(C)c1CN(CC#N)[*:1]
COC(=O)CN(CC#N)Cc1c(C)cc(Cl)cc1C N#CC[*:1] COC(=O)CN(Cc1c(C)cc(Cl)cc1C)[*:1]
COC(=O)CN(CC#N)Cc1c(C)cc(Cl)cc1C COC(=O)[*:1] Cc1cc(Cl)cc(C)c1CN(CC#N)C[*:1]
O=[S@@](CCSc1ccccc1F)c1ccccc1 c1ccc(cc1)[*:1] O=[S@@](CCSc1ccccc1F)[*:1]
CCc1ccc(C(=O)C(F)(F)F)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)C(=O)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)CNC(=O)c1ccoc1 CCC[*:1] O=C(CNC(=O)c1ccoc1)N[C@@H]1C[C@H]1[*:1]
CCC[C@@H]1C[C@H]1NC(=O)CNC(=O)c1ccoc1 c1cc(co1)[*:1] CCC[C@@H]1C[C@H]1NC(=O)CNC(=O)[*:1]
O=C(c1ccc(Br)s1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 c1ccc(nc1)[*:1] O=C(c1ccc(Br)s1)N(C[*:1])c1nc2c(F)cccc2s1
O=C(c1ccc(Br)s1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 Brc1ccc(s1)[*:1] O=C(N(Cc1ccccn1)c1nc2c(F)cccc2s1)[*:1]
O=C(c1ccc(Br)s1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 c1ccc(C[*:1])nc1 O=C(c1ccc(Br)s1)N(c1nc2c(F)cccc2s1)[*:1]
CCNS(=O)(=O)c1ccc(C(=O)N(C)c2nccs2)cc1 c1csc(n1)[*:1] CCNS(=O)(=O)c1ccc(cc1)C(=O)N(C)[*:1]
CCNS(=O)(=O)c1ccc(C(=O)N(C)c2nccs2)cc1 CCNS(=O)(=O)[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1nccs1
Cc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1Br N#CCC[*:1] Cc1ccc(cc1Br)C(=O)N(Cc1ccco1)[*:1]
Cc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1Br c1coc(c1)C[*:1] Cc1ccc(cc1Br)C(=O)N(CCC#N)[*:1]
Cc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1Br c1coc(c1)[*:1] Cc1ccc(cc1Br)C(=O)N(CCC#N)C[*:1]
Cc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1Br N#CC[*:1] Cc1ccc(cc1Br)C(=O)N(Cc1ccco1)C[*:1]
CC(C)(C#N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 CC(C)(C#N)[*:1] FC(F)(F)c1cnc(c(Cl)c1)N1CCN(CC1)[*:1]
CC(C)(C#N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] CC(C)(C#N)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
CC(=O)N1CCC[NH+](CCc2scnc2C)CC1 Cc1ncsc1[*:1] CC(=O)N1CCC[NH+](CC1)CC[*:1]
CCn1cc(NC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)cn1 CCn1cc(cn1)[*:1] COc1cc(C)c(cc1OC)[C@H](C)NC(=O)N[*:1]
Cc1ccc(OCC(=O)N2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C1)[NH+]1CCN(CC1)C(=O)CO[*:1]
Cc1ccc(OCC(=O)N2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 Cc1ccc(cc1)O[*:1] C[C@H]1CCC[C@@H](C1)[NH+]1CCN(CC1)C(=O)C[*:1]
Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2o1 Clc1ccc(cc1)[*:1] Cc1nc2cc(ccc2o1)N[C@@H](C)C(=O)N[*:1]
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)c2)C1 Fc1cccc(c1)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NCC1(CCOCC1)[*:1]
CC(C)(C)[NH2+]Cc1nccn1C[C@@H]1Cc2ccccc2S1 CC(C)(C)[*:1] c1ccc2S[C@@H](Cc2c1)Cn1ccnc1C[NH2+][*:1]
COc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1 c1cn(cn1)CC[*:1] COc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1cccc(F)c1
COc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1 c1cn(cn1)[*:1] COc1ccc2nc(sc2c1)N(CCC[*:1])C(=O)c1cccc(F)c1
COc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1 Fc1cccc(c1)[*:1] COc1ccc2nc(sc2c1)N(CCCn1ccnc1)C(=O)[*:1]
COc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1 c1cn(cn1)CCC[*:1] COc1ccc2nc(sc2c1)N(C(=O)c1cccc(F)c1)[*:1]
COc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1 c1cn(cn1)C[*:1] COc1ccc2nc(sc2c1)N(CC[*:1])C(=O)c1cccc(F)c1
CCn1c([O-])c(/C(C)=N/c2ccc(Cl)cc2)c(=O)c2ccccc21 Clc1ccc(cc1)[*:1] CCn1c([O-])c(C(C)=N[*:1])c(=O)c2ccccc21
COC(=O)[C@H]1CCN(C[C@@H]2Cc3cc(F)ccc3O2)C1 COC(=O)[*:1] Fc1ccc2O[C@@H](Cc2c1)CN1CC[C@@H](C1)[*:1]
CCCCOCC(=O)Nc1cccc(N)c1 CCC[*:1] Nc1cccc(c1)NC(=O)COC[*:1]
CCCCOCC(=O)Nc1cccc(N)c1 CCCC[*:1] Nc1cccc(c1)NC(=O)CO[*:1]
CCCCOCC(=O)Nc1cccc(N)c1 CCCCO[*:1] Nc1cccc(c1)NC(=O)C[*:1]
O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1ccccc1F Oc1cccc(c1)[*:1] O=C(Nc1cnc(nc1)[*:1])c1ccccc1F
O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1cnc(nc1)-c1cccc(O)c1)[*:1]
COCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 COC[*:1] O=C(NC[*:1])[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2
COCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 COCC[*:1] O=C(N[*:1])[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2
COCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 COCCNC(=O)[*:1] O=C1c2ccccc2[C@H](C2(CCCC2)N1C1CCCC1)[*:1]
COCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 C1CCC(C1)[*:1] COCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C12CCCC2)[*:1]
CCCn1c(SCc2cnc(N)s2)n[nH]c1=O CCC[*:1] Nc1ncc(CSc2n[nH]c(=O)n2[*:1])s1
O=C(OCc1nc(-c2ccccc2Cl)no1)c1ccco1 Clc1ccccc1[*:1] O=C(OCc1nc(no1)[*:1])c1ccco1
O=C(OCc1nc(-c2ccccc2Cl)no1)c1ccco1 c1coc(c1)[*:1] O=C(OCc1nc(no1)-c1ccccc1Cl)[*:1]
CNC(=O)[C@@H](C#N)Cc1c[nH]c2cccc(Cl)c12 CNC(=O)[*:1] N#C[C@@H](Cc1c[nH]c2cccc(Cl)c12)[*:1]
O=C(N1CCCC1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O O[C@H]1CCC[C@H]1[*:1] O=C(N1CCCC1)N1CCCC[C@H]1[*:1]
C=CCS(=O)(=O)/N=C(\[O-])[C@H]1CCCN(C(=O)c2ccccc2)C1 C=CC[*:1] O=C(c1ccccc1)N1CCC[C@@H](C1)/C([O-])=N/S(=O)(=O)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])[C@H]1CCCN(C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C=CCS(=O)(=O)/N=C(\[O-])[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(F)cc1NC(=O)CSc1nncn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)CSc1nncn1[*:1]
CCCc1c(N)cnn1C1CCCCC1 CCC[*:1] Nc1cnn(c1[*:1])C1CCCCC1
CO[C@]1(C)C[C@@H](NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)C1(C)C c1cnc(nc1)[*:1] CO[C@]1(C)C[C@@H](NC(=O)NC[C@@H]2CCCN(C2)[*:1])C1(C)C
Cc1cc(C)c(NC(=O)CN(C)C(=O)Cc2cccs2)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)C[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)Cc2cccs2)c(C)c1 c1csc(c1)C[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)[*:1])c(C)c1
Cn1c(SCC(F)(F)F)nc2sc3c(c2c1=O)CCC3 FC(F)(F)[*:1] Cn1c(nc2sc3CCCc3c2c1=O)SC[*:1]
Cn1c(SCC(F)(F)F)nc2sc3c(c2c1=O)CCC3 FC(F)(F)C[*:1] Cn1c(nc2sc3CCCc3c2c1=O)S[*:1]
Cn1c(SCC(F)(F)F)nc2sc3c(c2c1=O)CCC3 FC(F)(F)CS[*:1] Cn1c(nc2sc3CCCc3c2c1=O)[*:1]
CC(C)[C@H]1Oc2cc3oc(=O)ccc3cc2/C1=N/O CC(C)[*:1] O=c1ccc2cc3/C(=N/O)[C@H](Oc3cc2o1)[*:1]
COc1cccc(NC(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCOCC2)c1 Fc1cccc(c1)C[*:1] COc1cccc(c1)NC(=O)Nc1cc(ccc1N1CCOCC1)C(=O)N[*:1]
COc1cccc(NC(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCOCC2)c1 COc1cccc(c1)[*:1] O=C(Nc1cc(ccc1N1CCOCC1)C(=O)NCc1cccc(F)c1)N[*:1]
COc1cccc(NC(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCOCC2)c1 O=C(NCc1cccc(F)c1)[*:1] COc1cccc(c1)NC(=O)Nc1cc(ccc1N1CCOCC1)[*:1]
COc1cccc(NC(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCOCC2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)NC(=O)Nc1cc(ccc1N1CCOCC1)C(=O)NC[*:1]
COc1cccc(NC(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2N2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)NC(=O)Nc1cc(ccc1[*:1])C(=O)NCc1cccc(F)c1
Cc1cnn(C[C@H]2CCCN2C(=O)[C@H](C)n2ccnc2)c1 Cc1cnn(c1)C[*:1] C[C@@H](C(=O)N1CCC[C@@H]1[*:1])n1ccnc1
Cc1cnn(C[C@H]2CCCN2C(=O)[C@H](C)n2ccnc2)c1 c1cn(cn1)[*:1] Cc1cnn(c1)C[C@H]1CCCN1C(=O)[C@H](C)[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)[C@H](C)n2ccnc2)c1 Cc1cnn(c1)[*:1] C[C@@H](C(=O)N1CCC[C@@H]1C[*:1])n1ccnc1
Cc1cnn(C[C@H]2CCCN2C(=O)[C@H](C)n2ccnc2)c1 C[C@H](n1ccnc1)[*:1] Cc1cnn(c1)C[C@H]1CCCN1C(=O)[*:1]
COc1cc2c(cc1C[NH+]1CCN(Cc3cccc(F)c3)CC1)OCCO2 Fc1cccc(c1)C[*:1] COc1cc2OCCOc2cc1C[NH+]1CCN(CC1)[*:1]
COc1cc2c(cc1C[NH+]1CCN(Cc3cccc(F)c3)CC1)OCCO2 Fc1cccc(c1)[*:1] COc1cc2OCCOc2cc1C[NH+]1CCN(CC1)C[*:1]
COc1ccccc1OCC#CCNC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccccc1OCC#CCNC(=O)[*:1]
COc1cc(C[NH2+]CC2CCC2)cc(Cl)c1OC C1CC(C1)C[*:1] COc1cc(cc(Cl)c1OC)C[NH2+][*:1]
COc1cc(C[NH2+]CC2CCC2)cc(Cl)c1OC C1CC(C1)[*:1] COc1cc(cc(Cl)c1OC)C[NH2+]C[*:1]
O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 Clc1cc(c(Cl)s1)[*:1] O=C([O-])c1ccc(F)c(c1)[N-]S(=O)(=O)[*:1]
O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 O=C([O-])[*:1] O=S(=O)([N-]c1cc(ccc1F)[*:1])c1cc(Cl)sc1Cl
COc1ccc([N+](=O)[O-])cc1OCC(=O)c1ccc(Cl)c(Cl)c1 O=[N+]([O-])[*:1] COc1ccc(cc1OCC(=O)c1ccc(Cl)c(Cl)c1)[*:1]
COC[C@H](NC(=O)c1cc2c(C(C)C)nn(C)c2s1)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)c1cc2c(nn(C)c2s1)C(C)C)[*:1]
COC[C@H](NC(=O)c1cc2c(C(C)C)nn(C)c2s1)C(N)=O COC[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N[C@H](C(N)=O)[*:1]
COC[C@H](NC(=O)c1cc2c(C(C)C)nn(C)c2s1)C(N)=O CC(C)[*:1] COC[C@H](NC(=O)c1cc2c(nn(C)c2s1)[*:1])C(N)=O
COC[C@H](NC(=O)c1cc2c(C(C)C)nn(C)c2s1)C(N)=O COC[C@H](C(N)=O)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N[*:1]
Cc1sc(=O)n(CCC(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1C CS(=O)(=O)[*:1] Cc1sc(=O)n(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[*:1])c1C
Cc1sc(=O)n(CCC(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1C Cc1sc(=O)n(c1C)[*:1] CN(C(=O)CC[*:1])[C@@H]1CCCC[C@H]1S(C)(=O)=O
CC(C)c1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n(N)c2=O)cc1 Clc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)Cc1nnc(SCC(=O)N[*:1])n(N)c1=O
CC(C)c1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n(N)c2=O)cc1 CC(C)[*:1] Nn1c(nnc(Cc2ccc(cc2)[*:1])c1=O)SCC(=O)Nc1ccc(Cl)cc1
CC(C)c1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n(N)c2=O)cc1 CC(C)c1ccc(cc1)[*:1] Nn1c(nnc(C[*:1])c1=O)SCC(=O)Nc1ccc(Cl)cc1
CC(C)c1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n(N)c2=O)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] CC(C)c1ccc(cc1)Cc1nnc(SC[*:1])n(N)c1=O
CC(C)c1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n(N)c2=O)cc1 CC(C)c1ccc(cc1)C[*:1] Nn1c(nnc(c1=O)[*:1])SCC(=O)Nc1ccc(Cl)cc1
CCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)[C@@H]1CC(=O)[C@@H]([C@@H](N1)c1ccc(cc1)OC)[*:1]
CCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCC[C@H]1C(=O)C[C@H](N[C@@H]1[*:1])c1ccc(cc1)OC
CCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCC[C@H]1C(=O)C[C@@H](N[C@H]1c1ccc(cc1)OC)[*:1]
Cc1csc([C@@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 O=[N+]([O-])[*:1] Cc1csc(n1)[C@@H](C)[NH2+]Cc1ccc(s1)-c1ccc(cc1)[*:1]
Cc1csc([C@@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 Cc1csc(n1)[*:1] C[C@@H]([NH2+]Cc1ccc(s1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
COc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)ccc1OCC(C)C CC(C)CO[*:1] COc1cc(ccc1[*:1])[C@@H]1c2c(oc3c(C)cc(C)cc3c2=O)C(=O)N1CCO
COc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)ccc1OCC(C)C OCC[*:1] COc1cc(ccc1OCC(C)C)[C@@H]1c2c(oc3c(C)cc(C)cc3c2=O)C(=O)N1[*:1]
COc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)ccc1OCC(C)C CC(C)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1c2c(oc3c(C)cc(C)cc3c2=O)C(=O)N1CCO
COc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)ccc1OCC(C)C CC(C)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1c2c(oc3c(C)cc(C)cc3c2=O)C(=O)N1CCO
Cc1cc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl
Cc1cc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nc(C(C)C)n1 Clc1cccc(Cl)c1[*:1] Cc1cc(nc(n1)C(C)C)N1CCN(CC1)S(=O)(=O)[*:1]
CC[C@@H](C)c1ccccc1NC(=O)c1c(I)cnn1C CC[C@@H](C)[*:1] Cn1ncc(I)c1C(=O)Nc1ccccc1[*:1]
Cc1cccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccn2-c2cccnc2)c1C c1cncc(c1)[*:1] Cc1cccc(c1C)-n1ncc2c1CCC[C@@H]2[NH2+]Cc1cccn1[*:1]
Cc1cccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccn2-c2cccnc2)c1C Cc1cccc(c1C)[*:1] c1cncc(c1)-n1cccc1C[NH2+][C@H]1CCCc2c1cnn2[*:1]
Cc1cc(S(=O)(=O)N[C@H](C)[C@@H](C)N2CCOCC2)sc1C C1CN(CCO1)[*:1] Cc1cc(sc1C)S(=O)(=O)N[C@H](C)[C@@H](C)[*:1]
Cc1cc(S(=O)(=O)N[C@H](C)[C@@H](C)N2CCOCC2)sc1C Cc1cc(sc1C)[*:1] C[C@@H](NS(=O)(=O)[*:1])[C@@H](C)N1CCOCC1
C[C@@H](CC(=O)NCCc1ccccc1)CC1=NS(=O)(=O)c2ccccc2N1 c1ccc(cc1)C[*:1] C[C@@H](CC(=O)NC[*:1])CC1=NS(=O)(=O)c2ccccc2N1
C[C@@H](CC(=O)NCCc1ccccc1)CC1=NS(=O)(=O)c2ccccc2N1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)NCC[*:1])CC1=NS(=O)(=O)c2ccccc2N1
C[C@@H](CC(=O)NCCc1ccccc1)CC1=NS(=O)(=O)c2ccccc2N1 c1ccc(cc1)CC[*:1] C[C@@H](CC(=O)N[*:1])CC1=NS(=O)(=O)c2ccccc2N1
C[NH+](C)Cc1ccc(C(=O)NCC[C@@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)NCC[C@@H](O)[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C Cc1noc(C)c1C[*:1] CC(C)[C@@H](NC(=O)[C@H](C)[*:1])C(=O)N1CCOCC1
Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C Cc1noc(C)c1[*:1] CC(C)[C@@H](NC(=O)[C@H](C)C[*:1])C(=O)N1CCOCC1
Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C O=C(N1CCOCC1)[*:1] Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C(C)C)[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C CC(C)[*:1] Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C(=O)N1CCOCC1)[*:1]
COc1ccc(N2C(=O)CSC23CCN(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)CSC12CCN(CC2)S(=O)(=O)[*:1]
COc1ccc(N2C(=O)CSC23CCN(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)SCC(=O)N2[*:1]
O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(N1CCC(CC1)CNC(=O)[*:1])C(F)(F)F
O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(Cl)nc1 FC(F)(F)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1ccc(Cl)nc1
C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCOC c1ccc(cc1)[*:1] C=CCc1c(C)nc2c(cnn2c1NCCOC)[*:1]
C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCOC C=CC[*:1] COCCNc1c(c(C)nc2c(cnn12)-c1ccccc1)[*:1]
C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCOC COCCN[*:1] C=CCc1c(C)nc2c(cnn2c1[*:1])-c1ccccc1
C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCOC COC[*:1] C=CCc1c(C)nc2c(cnn2c1NC[*:1])-c1ccccc1
C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCOC COCC[*:1] C=CCc1c(C)nc2c(cnn2c1N[*:1])-c1ccccc1
CC1CCN(C(=O)COc2ccccc2-c2noc(-c3ccccc3F)n2)CC1 Fc1ccccc1[*:1] CC1CCN(CC1)C(=O)COc1ccccc1-c1noc(n1)[*:1]
CC1CCN(C(=O)COc2ccccc2-c2noc(-c3ccccc3F)n2)CC1 CC1CCN(CC1)C(=O)[*:1] Fc1ccccc1-c1nc(no1)-c1ccccc1OC[*:1]
CCC[C@H](C)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 CCC[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)C(=O)[C@@H](C)[*:1])c1C
CCC[C@H](C)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 Cc1cccc(c1C)[*:1] CCC[C@H](C)C(=O)N1CCN(CC1)CC(=O)N[*:1]
COc1ccccc1-c1nn(C)cc1C(=O)N[C@H]1CC[C@@H](SC)C1 COc1ccccc1[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)c1cn(C)nc1[*:1]
Cc1nsc(N(C)C(=O)Nc2cccc(Cl)c2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(c1[*:1])N(C)C(=O)Nc1cccc(Cl)c1
Cc1nsc(N(C)C(=O)Nc2cccc(Cl)c2)c1C(=O)[O-] Clc1cccc(c1)[*:1] Cc1nsc(c1C(=O)[O-])N(C)C(=O)N[*:1]
CC(C)(C)OC(=O)N1CC(=O)O[C@@H](Cc2ccccc2)[C@H]1Cc1ccccc1 CC(C)(C)[*:1] O=C1CN(C(=O)O[*:1])[C@H](Cc2ccccc2)[C@H](Cc2ccccc2)O1
CC(C)(C)OC(=O)N1CC(=O)O[C@@H](Cc2ccccc2)[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CC(=O)O[C@@H](Cc2ccccc2)[C@H]1C[*:1]
CC(C)(C)OC(=O)N1CC(=O)O[C@@H](Cc2ccccc2)[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CC(=O)O[C@@H]([C@H]1Cc1ccccc1)[*:1]
CC(C)(C)OC(=O)N1CC(=O)O[C@@H](Cc2ccccc2)[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CC(=O)O[C@@H](C[*:1])[C@H]1Cc1ccccc1
CC(C)(C)OC(=O)N1CC(=O)O[C@@H](Cc2ccccc2)[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CC(=O)O[C@@H](Cc2ccccc2)[C@@H]1[*:1]
O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1cn2c(n1)SCC2 C1CCC(CC1)[*:1] O=C1N(CCC[C@]1(O)C[NH2+]Cc1cn2CCSc2n1)C[*:1]
O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1cn2c(n1)SCC2 C1CCC(CC1)C[*:1] O=C1N(CCC[C@]1(O)C[NH2+]Cc1cn2CCSc2n1)[*:1]
N#Cc1cnn(-c2ccccc2)c1NC(=O)CCl O=C(CCl)N[*:1] N#Cc1cnn(-c2ccccc2)c1[*:1]
N#Cc1cnn(-c2ccccc2)c1NC(=O)CCl c1ccc(cc1)[*:1] N#Cc1cnn(c1NC(=O)CCl)[*:1]
C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[*:1]
O=[N+]([O-])c1cc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)ccc1Cl O=[N+]([O-])[*:1] S=c1[nH]nc(-c2cccc(Cl)c2)n1/N=C/c1ccc(Cl)c(c1)[*:1]
O=[N+]([O-])c1cc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)ccc1Cl Clc1cccc(c1)[*:1] O=[N+]([O-])c1cc(/C=N/n2c(n[nH]c2=S)[*:1])ccc1Cl
COc1cccc(NC(=O)c2ccnc(C(=O)[O-])c2)c1 O=C([O-])[*:1] COc1cccc(c1)NC(=O)c1ccnc(c1)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(C)no2)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(NC(=O)c2cc(C)no2)C1=O)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(C)no2)C1=O Cc1cc(on1)[*:1] CC[C@]1(NC(=O)N(NC(=O)[*:1])C1=O)c1ccccc1
O=C(NNC(=O)C1(c2ccc(F)cc2F)CCCC1)C(=O)N1CCCC1 Fc1ccc(c(F)c1)[*:1] O=C(NNC(=O)C1(CCCC1)[*:1])C(=O)N1CCCC1
COCC[C@@H]([NH3+])c1ncc(-c2cc(F)cc(F)c2)[nH]1 COC[*:1] [NH3+][C@H](C[*:1])c1ncc([nH]1)-c1cc(F)cc(F)c1
COCC[C@@H]([NH3+])c1ncc(-c2cc(F)cc(F)c2)[nH]1 COCC[*:1] [NH3+][C@@H](c1ncc([nH]1)-c1cc(F)cc(F)c1)[*:1]
Cc1n[nH]c(C(=O)N[C@@H](CO)Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1n[nH]c(n1)C(=O)N[C@@H](CO)C[*:1]
Cc1n[nH]c(C(=O)N[C@@H](CO)Cc2ccccc2)n1 Cc1n[nH]c(n1)[*:1] O=C(N[C@@H](CO)Cc1ccccc1)[*:1]
C[C@H](Nc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1oc(nc1S(=O)(=O)c1ccc2OCCOc2c1)-c1cccs1)[*:1]
C[C@H](Nc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 c1cc2OCCOc2cc1[*:1] C[C@H](Nc1oc(nc1S(=O)(=O)[*:1])-c1cccs1)c1ccccc1
C[C@H](Nc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 c1csc(c1)[*:1] C[C@H](Nc1oc(nc1S(=O)(=O)c1ccc2OCCOc2c1)[*:1])c1ccccc1
Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CCCN1C(=O)C1CC1 O=[N+]([O-])[*:1] Cc1ccc(cc1OC(=O)[C@@H]1CCCN1C(=O)C1CC1)[*:1]
Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] Cc1ccc(cc1OC(=O)[C@@H]1CCCN1C(=O)[*:1])[N+](=O)[O-]
CCc1nnc(S[C@@H](CC)C(=O)NCc2ccco2)c2cc3occc3n12 O=C(NCc1ccco1)[*:1] CCc1nnc(S[C@@H](CC)[*:1])c2cc3occc3n12
CCc1nnc(S[C@@H](CC)C(=O)NCc2ccco2)c2cc3occc3n12 c1coc(c1)[*:1] CCc1nnc(S[C@@H](CC)C(=O)NC[*:1])c2cc3occc3n12
CCc1nnc(S[C@@H](CC)C(=O)NCc2ccco2)c2cc3occc3n12 c1coc(c1)C[*:1] CCc1nnc(S[C@@H](CC)C(=O)N[*:1])c2cc3occc3n12
Cn1cc(C[C@H]([NH3+])C(C)(C)N2CCOCC2)cn1 C1CN(CCO1)[*:1] Cn1cc(cn1)C[C@H]([NH3+])C(C)(C)[*:1]
Cn1cc(C[C@H]([NH3+])C(C)(C)N2CCOCC2)cn1 Cn1cc(cn1)[*:1] CC(C)([C@@H]([NH3+])C[*:1])N1CCOCC1
O=C(CSc1ccccn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 c1ccc(nc1)S[*:1] O=C(C[*:1])Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
O=C(CSc1ccccn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 c1ccc(nc1)[*:1] O=C(CS[*:1])Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
O=C(CSc1ccccn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CSc1ccccn1)Nc1cc(cc(c1)[*:1])C(F)(F)F
O=C(CSc1ccccn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 c1ccc(nc1)SC[*:1] O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[*:1]
CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCc3cc(F)ccc3C2)c1 CN(C)S(=O)(=O)[*:1] O=C(Nc1cc(ccc1F)[*:1])N1CCc2cc(F)ccc2C1
N#Cc1ccc(N2CCCSCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#Cc1ccc(cc1[*:1])N1CCCSCC1
CCc1ccsc1CNC(=O)N1CCN(C(=O)N(C)C)CC1 CCc1ccsc1[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)NC[*:1]
CCc1cccc(C)c1NC(=O)CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 CCc1cccc(C)c1[*:1] O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)N[*:1]
CCC[C@H](C)COc1c(F)cc(C[NH2+]C)cc1F CCC[C@H](C)C[*:1] C[NH2+]Cc1cc(F)c(O[*:1])c(F)c1
CCC[C@H](C)COc1c(F)cc(C[NH2+]C)cc1F CCC[C@H](C)[*:1] C[NH2+]Cc1cc(F)c(OC[*:1])c(F)c1
CCC[C@H](C)COc1c(F)cc(C[NH2+]C)cc1F CCC[*:1] C[NH2+]Cc1cc(F)c(OC[C@@H](C)[*:1])c(F)c1
COc1ccc(C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)cc1Cn1cccn1 c1cnn(c1)C[*:1] COc1ccc(cc1[*:1])C(=O)N1CCc2c(C1)nc(C)[nH]c2=O
COc1ccc(C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)cc1Cn1cccn1 c1cnn(c1)[*:1] COc1ccc(cc1C[*:1])C(=O)N1CCc2c(C1)nc(C)[nH]c2=O
CCCn1nnnc1CS(=O)(=O)CCC(=O)N1CCCCC1 CCC[*:1] O=C(CCS(=O)(=O)Cc1nnnn1[*:1])N1CCCCC1
Cn1ccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1=O c1ccc2oc(cc2c1)[*:1] Cn1ccc(cc1=O)C(=O)N[C@H](c1ccccc1)[*:1]
Cn1ccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1=O Cn1ccc(cc1=O)[*:1] O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)[*:1]
Cn1ccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1=O c1ccc(cc1)[*:1] Cn1ccc(cc1=O)C(=O)N[C@H](c1cc2ccccc2o1)[*:1]
COc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] COc1ccccc1O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
COc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(=O)N(C)C)c1 COc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)C(=O)N(C)C
CCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc2ccccc2c1 c1ccc(C[*:1])nc1 CCN(CC(=O)N[*:1])S(=O)(=O)c1ccc2ccccc2c1
CCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc2ccccc2c1 c1ccc(nc1)[*:1] CCN(CC(=O)NC[*:1])S(=O)(=O)c1ccc2ccccc2c1
COc1ccccc1[C@H]1CN(C(=O)C2CC2)C[C@H]1C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccccc1[C@H]1CN(C[C@H]1C(=O)N(C)[*:1])C(=O)C1CC1
COc1ccccc1[C@H]1CN(C(=O)C2CC2)C[C@H]1C(=O)N(C)Cc1ccccc1 COc1ccccc1[*:1] CN(Cc1ccccc1)C(=O)[C@@H]1CN(C[C@@H]1[*:1])C(=O)C1CC1
COc1ccccc1[C@H]1CN(C(=O)C2CC2)C[C@H]1C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@H]1CN(C[C@H]1C(=O)N(C)C[*:1])C(=O)C1CC1
COc1ccccc1[C@H]1CN(C(=O)C2CC2)C[C@H]1C(=O)N(C)Cc1ccccc1 C1CC1[*:1] COc1ccccc1[C@H]1CN(C[C@H]1C(=O)N(C)Cc1ccccc1)C(=O)[*:1]
Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)N(C)S(=O)(=O)c1ccc(F)c(c1)[*:1]
Cc1ccc(NC(=O)[C@H](Sc2nnc(C)s2)C(C)C)c(C)c1 Cc1nnc(S[*:1])s1 Cc1ccc(NC(=O)[C@H](C(C)C)[*:1])c(C)c1
Cc1ccc(NC(=O)[C@H](Sc2nnc(C)s2)C(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(NC(=O)[C@H](Sc2nnc(C)s2)[*:1])c(C)c1
Cc1ccc(NC(=O)[C@H](Sc2nnc(C)s2)C(C)C)c(C)c1 Cc1nnc(s1)[*:1] Cc1ccc(NC(=O)[C@H](S[*:1])C(C)C)c(C)c1
CO[C@@H](CNC(=O)c1ccc2c(c1)COCO2)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)c1ccc2OCOCc2c1)[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Nc1cccc(C)c1C Cc1cccc(N[*:1])c1C CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Nc1cccc(C)c1C CCc1ccccc1[*:1] Cc1cccc(N[C@H](C)C(=O)N(C)CC(=O)N[*:1])c1C
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Nc1cccc(C)c1C Cc1cccc(c1C)[*:1] CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N[*:1]
CC(C)[NH2+][C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 CC(C)[*:1] O=C1C[C@H](CN1Cc1cccc(F)c1)[NH2+][*:1]
CSC[C@@H]1CCN(C(=O)CN(CCc2ccccc2)C(C)=O)C1 c1ccc(cc1)[*:1] CSC[C@@H]1CCN(C1)C(=O)CN(CC[*:1])C(C)=O
CSC[C@@H]1CCN(C(=O)CN(CCc2ccccc2)C(C)=O)C1 c1ccc(cc1)C[*:1] CSC[C@@H]1CCN(C1)C(=O)CN(C[*:1])C(C)=O
CSC[C@@H]1CCN(C(=O)CN(CCc2ccccc2)C(C)=O)C1 CSC[*:1] CC(=O)N(CCc1ccccc1)CC(=O)N1CC[C@H](C1)[*:1]
O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 Fc1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])Nc1ccc(cc1)-c1nc2ccccc2s1
O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ccc(cc1)[*:1]
CCc1ccccc1Nc1nc(N)c(C(=O)CC(C)C)s1 CC(C)CC(=O)[*:1] CCc1ccccc1Nc1nc(N)c(s1)[*:1]
CCc1ccccc1Nc1nc(N)c(C(=O)CC(C)C)s1 CC(C)C[*:1] CCc1ccccc1Nc1nc(N)c(s1)C(=O)[*:1]
CCc1ccccc1Nc1nc(N)c(C(=O)CC(C)C)s1 CC(C)[*:1] CCc1ccccc1Nc1nc(N)c(s1)C(=O)C[*:1]
CCn1nc(C)c(CNC(=O)CCOc2cccc(Br)c2)c1C Brc1cccc(c1)[*:1] CCn1nc(C)c(CNC(=O)CCO[*:1])c1C
NC(=O)c1cnc(NO[C@H]2CCCCO2)c(Cl)c1 NC(=O)[*:1] Clc1cc(cnc1NO[C@H]1CCCCO1)[*:1]
NC(=O)c1cnc(NO[C@H]2CCCCO2)c(Cl)c1 C1CC[C@@H](OC1)[*:1] NC(=O)c1cnc(NO[*:1])c(Cl)c1
CCNc1nc(S[C@H](C)C(=O)N[C@@H](C)CC)nc2ccccc12 CC[C@H](C)[*:1] CCNc1nc(nc2ccccc12)S[C@H](C)C(=O)N[*:1]
CCNc1nc(S[C@H](C)C(=O)N[C@@H](C)CC)nc2ccccc12 CC[C@H](C)NC(=O)[*:1] CCNc1nc(nc2ccccc12)S[C@H](C)[*:1]
CCNc1nc(S[C@H](C)C(=O)N[C@@H](C)CC)nc2ccccc12 CCN[*:1] CC[C@H](C)NC(=O)[C@@H](C)Sc1nc(c2ccccc2n1)[*:1]
COC[C@@H](NC(=O)c1cnc(-c2ccoc2)s1)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)c1cnc(s1)-c1ccoc1)[*:1]
COC[C@@H](NC(=O)c1cnc(-c2ccoc2)s1)C(N)=O c1cc(co1)[*:1] COC[C@@H](NC(=O)c1cnc(s1)[*:1])C(N)=O
COC[C@@H](NC(=O)c1cnc(-c2ccoc2)s1)C(N)=O COC[*:1] NC(=O)[C@H](NC(=O)c1cnc(s1)-c1ccoc1)[*:1]
CC[C@@H]1COCCN1c1ccc([N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] CC[C@@H]1COCCN1c1ccc(c(C)c1)[*:1]
NC(=O)CCNC(=O)NCC1(c2ccc(F)cc2)CC1 NC(=O)C[*:1] O=C(NCC1(CC1)c1ccc(F)cc1)NC[*:1]
NC(=O)CCNC(=O)NCC1(c2ccc(F)cc2)CC1 NC(=O)CC[*:1] O=C(NCC1(CC1)c1ccc(F)cc1)N[*:1]
NC(=O)CCNC(=O)NCC1(c2ccc(F)cc2)CC1 NC(=O)[*:1] O=C(NCC[*:1])NCC1(CC1)c1ccc(F)cc1
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)/C=C/c1cccc(F)c1 Cc1cc(Br)ccc1[*:1] CN(CC(=O)N[*:1])C(=O)/C=C/c1cccc(F)c1
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)/C=C/c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C=C[*:1]
Cc1cc(C)nc(-n2nc(C)c(CC(=O)Oc3c(C)ccc(C)c3C)c2C)n1 Cc1cc(C)nc(n1)[*:1] Cc1ccc(C)c(OC(=O)Cc2c(C)nn(c2C)[*:1])c1C
Cc1cc(C)nc(-n2nc(C)c(CC(=O)Oc3c(C)ccc(C)c3C)c2C)n1 Cc1ccc(C)c(c1C)[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(CC(=O)O[*:1])c1C
C=C(C)[C@@]1(O)CCO[C@@H](C)C1 C=C(C)[*:1] C[C@H]1C[C@@](O)(CCO1)[*:1]
COc1ccccc1/C=C/C(=O)N1CCC(NS(C)(=O)=O)CC1 CS(=O)(=O)N[*:1] COc1ccccc1/C=C/C(=O)N1CCC(CC1)[*:1]
CCC[NH2+]Cc1ccc(Br)cc1N1C[C@@H](C)[C@H](C)C1 CCC[*:1] C[C@@H]1CN(C[C@H]1C)c1cc(Br)ccc1C[NH2+][*:1]
COc1cc(/C=C(/C(=O)O[C@@H]2CCOC2=O)c2ccccc2)ccc1O c1ccc(cc1)[*:1] COc1cc(/C=C(/C(=O)O[C@@H]2CCOC2=O)[*:1])ccc1O
CC(C)(C#N)[C@]1(O)CCC[C@H](C2CC2)C1 C1CC1[*:1] CC(C)(C#N)[C@]1(O)CCC[C@H](C1)[*:1]
CC(C)(C#N)[C@]1(O)CCC[C@H](C2CC2)C1 CC(C)(C#N)[*:1] O[C@@]1(CCC[C@@H](C1)C1CC1)[*:1]
C[C@@H](CNC(=O)NC1CC1)Oc1ccc(Cl)cc1 C1CC1[*:1] C[C@@H](CNC(=O)N[*:1])Oc1ccc(Cl)cc1
C[C@@H](NC(=O)CC#N)C(=O)OCc1ccccc1 N#CC[*:1] C[C@@H](NC(=O)[*:1])C(=O)OCc1ccccc1
C[C@@H](NC(=O)CC#N)C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CC#N)C(=O)OC[*:1]
C[C@@H](NC(=O)CC#N)C(=O)OCc1ccccc1 N#CCC(=O)N[*:1] C[C@@H](C(=O)OCc1ccccc1)[*:1]
COC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cccc(Cl)c1 COC(=O)[*:1] O=C1NC(CCl)=C([C@H](N1)c1cccc(Cl)c1)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc2ncsc2c1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)c1ccc2ncsc2c1)[*:1]
Cc1ccc(NC(=O)[C@H](C)Cn2nc(C(F)(F)F)cc2C)cc1C Cc1ccc(cc1C)[*:1] Cc1cc(nn1C[C@@H](C)C(=O)N[*:1])C(F)(F)F
Cc1ccc(NC(=O)[C@H](C)Cn2nc(C(F)(F)F)cc2C)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)NC(=O)[C@H](C)Cn1nc(cc1C)[*:1]
Cc1ccc(OCC[C@@H](C)CCS)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OCC[C@@H](C)CCS)c(c1)[*:1]
Cc1ccc(OCC[C@@H](C)CCS)c([N+](=O)[O-])c1 SCC[*:1] Cc1ccc(OCC[C@@H](C)[*:1])c(c1)[N+](=O)[O-]
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(Cc1ccc(s1)S(=O)(=O)N1CCCC1)Nc1ccccc1[*:1]
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1N1CCCCC1 O=S(=O)(N1CCCC1)[*:1] O=C(Cc1ccc(s1)[*:1])Nc1ccccc1N1CCCCC1
O=C(Nc1ccc(F)cc1)c1nnc(C(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)s1 O=C(Nc1ccc(F)cc1)[*:1] O=C(NC[C@H]1CCCO1)C1CCN(CC1)C(=O)c1nnc(s1)[*:1]
O=C(Nc1ccc(F)cc1)c1nnc(C(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)s1 Fc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)C(=O)N1CCC(CC1)C(=O)NC[C@H]1CCCO1
CCN(CC)c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1[N+](=O)[O-] CCN(CC)[*:1] O=C(Nc1cc(c(cc1Cl)[N+](=O)[O-])[*:1])c1ccccc1Cl
CCN(CC)c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(CC)c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1[*:1]
CCN(CC)c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1[N+](=O)[O-] Clc1ccccc1[*:1] CCN(CC)c1cc(NC(=O)[*:1])c(Cl)cc1[N+](=O)[O-]
CCCc1cc(=O)n(CC(=O)N2CCC[C@H](C(=O)OCC)C2)cn1 CCC[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)Cn1cnc(cc1=O)[*:1]
CCCc1cc(=O)n(CC(=O)N2CCC[C@H](C(=O)OCC)C2)cn1 CCOC(=O)[*:1] CCCc1cc(=O)n(cn1)CC(=O)N1CCC[C@H](C1)[*:1]
COc1ccccc1O[C@H](C)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 COc1ccccc1[*:1] C[C@H](CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12)O[*:1]
Cc1ccccc1[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)C1CC1 O=C(N[*:1])[C@H]1CCCO1 Cc1ccccc1[C@H]([NH2+]Cc1cccc(c1)[*:1])C1CC1
Cc1ccccc1[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)C1CC1 C1CC1[*:1] Cc1ccccc1[C@H]([NH2+]Cc1cccc(c1)NC(=O)[C@H]1CCCO1)[*:1]
Cc1ccccc1[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)C1CC1 Cc1ccccc1[*:1] O=C(Nc1cccc(c1)C[NH2+][C@H](C1CC1)[*:1])[C@H]1CCCO1
Cc1ccccc1[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)C1CC1 C1CO[C@H](C1)[*:1] Cc1ccccc1[C@H]([NH2+]Cc1cccc(c1)NC(=O)[*:1])C1CC1
CCN1C[C@H](C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1=O CCN1C[C@H](CC1=O)[*:1] O=C(N1CCC[C@H](C1)c1nnc2CCCCCn21)[*:1]
CCOc1ncccc1C(=O)Nc1ccc(C)cc1Br CCO[*:1] Cc1ccc(NC(=O)c2cccnc2[*:1])c(Br)c1
CCC[NH2+]Cc1ncoc1C1CCC(C(C)(C)C)CC1 CC(C)(C)[*:1] CCC[NH2+]Cc1ncoc1C1CCC(CC1)[*:1]
CCC[NH2+]Cc1ncoc1C1CCC(C(C)(C)C)CC1 CCC[*:1] CC(C)(C)C1CCC(CC1)c1ocnc1C[NH2+][*:1]
C[C@@H](NC(=O)c1ccccc1N(C)c1ccccc1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1N(C)[*:1])[C@@H]1CCCO1
C[C@@H](NC(=O)c1ccccc1N(C)c1ccccc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)c1ccccc1N(C)c1ccccc1)[*:1]
C[C@@H](NC(=O)c1ccccc1N(C)c1ccccc1)[C@@H]1CCCO1 CN(c1ccccc1)[*:1] C[C@@H](NC(=O)c1ccccc1[*:1])[C@@H]1CCCO1
CCC[NH2+][C@H](C)[C@@H]1C[NH+]2CCN1CC2 CCC[NH2+][*:1] C[C@H]([C@@H]1C[NH+]2CCN1CC2)[*:1]
CCC[NH2+][C@H](C)[C@@H]1C[NH+]2CCN1CC2 CCC[*:1] C[C@@H]([NH2+][*:1])[C@@H]1C[NH+]2CCN1CC2
CC(=O)c1ccc(NC(=O)c2nnn(-c3cccc(C)c3)c2C(C)C)cc1 Cc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1nnn(c1C(C)C)[*:1]
CC(=O)c1ccc(NC(=O)c2nnn(-c3cccc(C)c3)c2C(C)C)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1cccc(c1)-n1nnc(C(=O)N[*:1])c1C(C)C
CC(=O)c1ccc(NC(=O)c2nnn(-c3cccc(C)c3)c2C(C)C)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1nnn(-c2cccc(C)c2)c1[*:1]
CC(=O)c1ccc(NC(=O)c2nnn(-c3cccc(C)c3)c2C(C)C)cc1 CC(=O)[*:1] Cc1cccc(c1)-n1nnc(C(=O)Nc2ccc(cc2)[*:1])c1C(C)C
O=C(CCc1ccc2c(c1)OCO2)NCCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] O=C(CCc1ccc2OCOc2c1)NCC[*:1]
COCc1cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)ncn1 COC[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)Nc1cc(ncn1)[*:1]
COCc1cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)ncn1 N#Cc1ccccc1[*:1] COCc1cc(ncn1)NC(=O)N1CCCN(CC1)[*:1]
COCc1cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)ncn1 COCc1cc(ncn1)[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)N[*:1]
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)s1 CC(C)(C)[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(s1)[*:1]
C=Cn1cc(CN2CCN(c3cc(CCC)nc(C)n3)CC2)cn1 C=Cn1cc(cn1)[*:1] CCCc1cc(nc(C)n1)N1CCN(CC1)C[*:1]
C=Cn1cc(CN2CCN(c3cc(CCC)nc(C)n3)CC2)cn1 C=Cn1cc(cn1)C[*:1] CCCc1cc(nc(C)n1)N1CCN(CC1)[*:1]
C=Cn1cc(CN2CCN(c3cc(CCC)nc(C)n3)CC2)cn1 CCC[*:1] C=Cn1cc(cn1)CN1CCN(CC1)c1cc(nc(C)n1)[*:1]
Cc1nc(-c2ccsc2)sc1/C([O-])=N/S(=O)(=O)CCCF FCCC[*:1] Cc1nc(sc1/C([O-])=N/S(=O)(=O)[*:1])-c1ccsc1
Cc1nc(-c2ccsc2)sc1/C([O-])=N/S(=O)(=O)CCCF FCC[*:1] Cc1nc(sc1/C([O-])=N/S(=O)(=O)C[*:1])-c1ccsc1
Cc1nc(-c2ccsc2)sc1/C([O-])=N/S(=O)(=O)CCCF c1cc(cs1)[*:1] Cc1nc(sc1/C([O-])=N/S(=O)(=O)CCCF)[*:1]
O=C([O-])CSc1nc2cnccc2n1CCC1CC1 O=C([O-])[*:1] c1cc2c(cn1)nc(SC[*:1])n2CCC1CC1
O=C([O-])CSc1nc2cnccc2n1CCC1CC1 O=C([O-])CS[*:1] c1cc2c(cn1)nc(n2CCC1CC1)[*:1]
O=C([O-])CSc1nc2cnccc2n1CCC1CC1 C1CC1C[*:1] O=C([O-])CSc1nc2cnccc2n1C[*:1]
O=C([O-])CSc1nc2cnccc2n1CCC1CC1 C1CC1CC[*:1] O=C([O-])CSc1nc2cnccc2n1[*:1]
O=C([O-])CSc1nc2cnccc2n1CCC1CC1 O=C([O-])C[*:1] c1cc2c(cn1)nc(S[*:1])n2CCC1CC1
O=C([O-])CSc1nc2cnccc2n1CCC1CC1 C1CC1[*:1] O=C([O-])CSc1nc2cnccc2n1CC[*:1]
C[C@H]1CC[C@@](C#N)([C@H](O)c2ccoc2)C1 c1cc(co1)[*:1] C[C@H]1CC[C@](C#N)(C1)[C@H](O)[*:1]
C=CCO[C@H](C)C(=O)Nc1ccc(Cl)cc1C(N)=O C=CCO[C@H](C)[*:1] NC(=O)c1cc(Cl)ccc1NC(=O)[*:1]
C=CCO[C@H](C)C(=O)Nc1ccc(Cl)cc1C(N)=O C=CCO[*:1] C[C@H](C(=O)Nc1ccc(Cl)cc1C(N)=O)[*:1]
C=CCO[C@H](C)C(=O)Nc1ccc(Cl)cc1C(N)=O C=CC[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(Cl)cc1C(N)=O
C=CCO[C@H](C)C(=O)Nc1ccc(Cl)cc1C(N)=O NC(=O)[*:1] C=CCO[C@H](C)C(=O)Nc1ccc(Cl)cc1[*:1]
CCc1noc(C)c1C(=O)Nc1cccc(OCC(=O)OC)c1 COC(=O)C[*:1] CCc1noc(C)c1C(=O)Nc1cccc(c1)O[*:1]
CCc1noc(C)c1C(=O)Nc1cccc(OCC(=O)OC)c1 COC(=O)[*:1] CCc1noc(C)c1C(=O)Nc1cccc(c1)OC[*:1]
CCc1noc(C)c1C(=O)Nc1cccc(OCC(=O)OC)c1 COC(=O)CO[*:1] CCc1noc(C)c1C(=O)Nc1cccc(c1)[*:1]
O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CC[NH+](CCc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CC[NH+](CC1)CC[*:1]
O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CC[NH+](CCc2ccccn2)CC1 c1ccc(CC[*:1])nc1 O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CC[NH+](CC1)[*:1]
O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CC[NH+](CCc2ccccn2)CC1 c1ccc(C[*:1])nc1 O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CC[NH+](CC1)C[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(SCC(=O)Nc3ccccc3)nnc12 O=C(Nc1ccccc1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(nnc12)SC[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(SCC(=O)Nc3ccccc3)nnc12 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(nnc12)SCC(=O)N[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(SCC(=O)Nc3ccccc3)nnc12 O=C(CS[*:1])Nc1ccccc1 C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(nnc12)[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(SCC(=O)Nc3ccccc3)nnc12 O=C(C[*:1])Nc1ccccc1 C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(nnc12)S[*:1]
CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C CC(C)[*:1] CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(=O)N(c1ccccc1)[*:1]
CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C c1ccc(cc1)[*:1] CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(=O)N(C(C)C)[*:1]
CCc1c(C)nn(CC(=O)N[C@H](C(=O)[O-])c2c(C)n[nH]c2C)c1C O=C([O-])[*:1] CCc1c(C)nn(CC(=O)N[C@H](c2c(C)n[nH]c2C)[*:1])c1C
CCc1c(C)nn(CC(=O)N[C@H](C(=O)[O-])c2c(C)n[nH]c2C)c1C Cc1n[nH]c(C)c1[*:1] CCc1c(C)nn(CC(=O)N[C@H](C(=O)[O-])[*:1])c1C
CC[C@H](C)NC(=O)c1ccccc1SC(F)F FC(F)S[*:1] CC[C@H](C)NC(=O)c1ccccc1[*:1]
CC[C@H](C)NC(=O)c1ccccc1SC(F)F CC[C@H](C)[*:1] O=C(N[*:1])c1ccccc1SC(F)F
CC[C@H](C)NC(=O)c1ccccc1SC(F)F FC(F)[*:1] CC[C@H](C)NC(=O)c1ccccc1S[*:1]
CCc1ncc(CN(C)C(=O)c2scnc2C2CC2)s1 C1CC1[*:1] CCc1ncc(CN(C)C(=O)c2scnc2[*:1])s1
CCSCCC(=O)Nc1ccccc1C(=O)N1CCC(C(N)=O)CC1 CCSC[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccccc1NC(=O)C[*:1]
CCSCCC(=O)Nc1ccccc1C(=O)N1CCC(C(N)=O)CC1 CCS[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccccc1NC(=O)CC[*:1]
CCSCCC(=O)Nc1ccccc1C(=O)N1CCC(C(N)=O)CC1 CCSCCC(=O)N[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccccc1[*:1]
CCSCCC(=O)Nc1ccccc1C(=O)N1CCC(C(N)=O)CC1 CCSCC[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccccc1NC(=O)[*:1]
CCSCCC(=O)Nc1ccccc1C(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] CCSCCC(=O)Nc1ccccc1C(=O)N1CCC(CC1)[*:1]
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc2ccccc2n1 NC(=O)[*:1] C[C@H]1CC[C@@H](CN1C(=O)c1ccc2ccccc2n1)[*:1]
CS[C@@H](C)CC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 CS[C@@H](C)CC(=O)N[*:1] Oc1ccc(cc1-c1nc2ccccc2s1)[*:1]
C[C@@H](CO)NC(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 C[C@@H](CO)[*:1] CC(C)(C)c1nc2cc(ccc2o1)NC(=O)C(=O)N[*:1]
C[C@@H](CO)NC(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 CC(C)(C)[*:1] C[C@@H](CO)NC(=O)C(=O)Nc1ccc2oc(nc2c1)[*:1]
CCC[C@H](C)C(=O)Cc1ccc(C)cn1 CCC[*:1] Cc1ccc(CC(=O)[C@@H](C)[*:1])nc1
CCC[C@H](C)C(=O)Cc1ccc(C)cn1 CCC[C@H](C)[*:1] Cc1ccc(CC(=O)[*:1])nc1
CC(C)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
Cc1cc(N)cc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)c1 NC(=O)[*:1] Cc1cc(N)cc(c1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1nccs1 c1csc(n1)[*:1] Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)[*:1]
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1 CC[C@H](C)NS(=O)(=O)[*:1] COc1ccc(cc1Cl)NC(=O)c1ccc(cc1)[*:1]
Cc1cc(C)nc(Sc2ccc(OC[C@@H]3CCCCO3)cc2)n1 C1CC[C@H](OC1)[*:1] Cc1cc(C)nc(n1)Sc1ccc(cc1)OC[*:1]
Cc1cc(C)nc(Sc2ccc(OC[C@@H]3CCCCO3)cc2)n1 C1CC[C@@H](C[*:1])OC1 Cc1cc(C)nc(n1)Sc1ccc(cc1)O[*:1]
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)CC1 COc1ccccc1[*:1] O=C(Nc1ccc(F)cc1)N1CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)CC1 Fc1ccc(cc1)[*:1] COc1ccccc1N1CC[NH+](CC1)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1cccc(N2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)c1 COc1cccc(c1)[*:1] O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN(CC1)[*:1]
CC(C)NC(=O)Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 Fc1ccc(cc1)C[*:1] CC(C)NC(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
CC(C)NC(=O)Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 CC(C)NC(=O)C[*:1] O=C1C[C@@H](CN1Cc1ccc(F)cc1)c1nc2ccccc2n1[*:1]
CC(C)NC(=O)Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 CC(C)[*:1] O=C(Cn1c(nc2ccccc21)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)N[*:1]
CC(C)NC(=O)Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 CC(C)NC(=O)[*:1] O=C1C[C@@H](CN1Cc1ccc(F)cc1)c1nc2ccccc2n1C[*:1]
CC(C)NC(=O)Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 Fc1ccc(cc1)[*:1] CC(C)NC(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)C[*:1]
CC[C@H](C)N(C)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 CC[C@H](C)[*:1] CC(C)Oc1ccc(cc1Cl)NC(=O)N(C)[*:1]
CC[C@H](C)N(C)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 CC(C)O[*:1] CC[C@H](C)N(C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CC[C@H](C)N(C)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 CC(C)[*:1] CC[C@H](C)N(C)C(=O)Nc1ccc(O[*:1])c(Cl)c1
Cn1cnn(-c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cc2)c1=O Cn1cnn(c1=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1C[C@H]1c1ccc(F)cc1
Cn1cnn(-c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cc2)c1=O Fc1ccc(cc1)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)[C@H]2C[C@@H]2[*:1])c1=O
Cc1ccccc1CN1CCN(C(=O)c2cc3ccc(F)cc3nc2C)CC1 Cc1ccccc1C[*:1] Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(CC1)[*:1]
Cc1ccccc1CN1CCN(C(=O)c2cc3ccc(F)cc3nc2C)CC1 Cc1ccccc1[*:1] Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(CC1)C[*:1]
C[C@H](N[C@H](C)c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1 Clc1ccc(cc1)[*:1] C[C@H](N[C@H](C)[*:1])c1nc(cs1)-c1ccncc1
C[C@H](N[C@H](C)c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] C[C@H](N[C@H](C)c1ccc(Cl)cc1)c1nc(cs1)[*:1]
C[C@@H]1CN(C[C@@H]2CCOC2)c2ccccc2C[NH2+]1 C1C[C@H](CO1)[*:1] C[C@@H]1CN(C[*:1])c2ccccc2C[NH2+]1
C[C@@H]1CN(C[C@@H]2CCOC2)c2ccccc2C[NH2+]1 C1C[C@H](CO1)C[*:1] C[C@@H]1CN(c2ccccc2C[NH2+]1)[*:1]
Cn1c(=O)c2c(nc(Cl)n2Cc2n[nH]c(=O)[nH]2)n(C)c1=O O=c1[nH]nc([nH]1)[*:1] Cn1c(=O)c2c(nc(Cl)n2C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(Cl)n2Cc2n[nH]c(=O)[nH]2)n(C)c1=O O=c1[nH]nc(C[*:1])[nH]1 Cn1c(=O)c2c(nc(Cl)n2[*:1])n(C)c1=O
C=CCN(CC(=O)[O-])C(=O)c1cn(C2C[NH2+]C2)nn1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)c1cn(nn1)C1C[NH2+]C1
C=CCN(CC(=O)[O-])C(=O)c1cn(C2C[NH2+]C2)nn1 O=C([O-])C[*:1] C=CCN(C(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
C=CCN(CC(=O)[O-])C(=O)c1cn(C2C[NH2+]C2)nn1 C=CC[*:1] O=C([O-])CN(C(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
CCO[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] CCO[C@@H]1CCCN(C1)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
CCO[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)C1 FC(F)[*:1] CCO[C@@H]1CCCN(C1)C(=O)N[C@@H](C)c1cccc(c1)O[*:1]
CCO[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)C1 CCO[*:1] C[C@H](NC(=O)N1CCC[C@H](C1)[*:1])c1cccc(c1)OC(F)F
CCN(CC(=O)NC)C(=O)c1ccncc1/C=C/C(=O)[O-] CNC(=O)[*:1] CCN(C[*:1])C(=O)c1ccncc1/C=C/C(=O)[O-]
CCN(CC(=O)NC)C(=O)c1ccncc1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] CCN(CC(=O)NC)C(=O)c1ccncc1[*:1]
CCN(CC(=O)NC)C(=O)c1ccncc1/C=C/C(=O)[O-] O=C([O-])[*:1] CCN(CC(=O)NC)C(=O)c1ccncc1C=C[*:1]
CCN(CC(=O)NC)C(=O)c1ccncc1/C=C/C(=O)[O-] CNC(=O)C[*:1] CCN(C(=O)c1ccncc1/C=C/C(=O)[O-])[*:1]
C[C@H](C[C@H]1CCCO1)[NH2+][C@H](CO)CC(C)(C)C CC(C)(C)[*:1] C[C@H](C[C@H]1CCCO1)[NH2+][C@H](CO)C[*:1]
C[C@H](C[C@H]1CCCO1)[NH2+][C@H](CO)CC(C)(C)C CC(C)(C)C[*:1] C[C@H](C[C@H]1CCCO1)[NH2+][C@H](CO)[*:1]
C[C@H](C[C@H]1CCCO1)[NH2+][C@H](CO)CC(C)(C)C C1CO[C@H](C1)[*:1] C[C@H](C[*:1])[NH2+][C@H](CO)CC(C)(C)C
C[C@@H]1C[C@@H](NCCc2nnc(-c3ccccc3)o2)c2ccccc2S1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](NCCc2nnc(o2)[*:1])c2ccccc2S1
Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)Nc1ccccc1Cl c1ccc2c(c1)ncn2[*:1] Cn1c(C[*:1])nnc1SCC(=O)Nc1ccccc1Cl
Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)N[*:1]
COCCOCCNC(=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] COCCOCCNC(=O)N1CCN(CC1)[*:1]
COCCOCCNC(=O)N1CCN(c2ccccc2Cl)CC1 COCCO[*:1] O=C(NCC[*:1])N1CCN(CC1)c1ccccc1Cl
COCCOCCNC(=O)N1CCN(c2ccccc2Cl)CC1 COCCOCC[*:1] O=C(N[*:1])N1CCN(CC1)c1ccccc1Cl
COCCOCCNC(=O)N1CCN(c2ccccc2Cl)CC1 COC[*:1] O=C(NCCOC[*:1])N1CCN(CC1)c1ccccc1Cl
COCCOCCNC(=O)N1CCN(c2ccccc2Cl)CC1 COCC[*:1] O=C(NCCO[*:1])N1CCN(CC1)c1ccccc1Cl
COCCOCCNC(=O)N1CCN(c2ccccc2Cl)CC1 COCCOC[*:1] O=C(NC[*:1])N1CCN(CC1)c1ccccc1Cl
O=C(N[C@H](c1ccccc1F)C1CCCC1)N1CCC[C@H](CCO)C1 C1CCC(C1)[*:1] O=C(N[C@H](c1ccccc1F)[*:1])N1CCC[C@H](CCO)C1
O=C(N[C@H](c1ccccc1F)C1CCCC1)N1CCC[C@H](CCO)C1 OCC[*:1] O=C(N[C@H](c1ccccc1F)C1CCCC1)N1CCC[C@H](C1)[*:1]
O=C(N[C@H](c1ccccc1F)C1CCCC1)N1CCC[C@H](CCO)C1 Fc1ccccc1[*:1] O=C(N[C@H](C1CCCC1)[*:1])N1CCC[C@H](CCO)C1
Cc1nn(CCO)c(C)c1C1=N[C@@H]2C(=N1)C=NN2Cc1cccc(Cl)c1 OCC[*:1] Cc1nn(c(C)c1C1=N[C@@H]2C(C=NN2Cc2cccc(Cl)c2)=N1)[*:1]
Cc1nn(CCO)c(C)c1C1=N[C@@H]2C(=N1)C=NN2Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] Cc1nn(CCO)c(C)c1C1=N[C@@H]2C(C=NN2[*:1])=N1
Cc1nn(CCO)c(C)c1C1=N[C@@H]2C(=N1)C=NN2Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nn(CCO)c(C)c1C1=N[C@@H]2C(C=NN2C[*:1])=N1
CC(C)C[C@@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)c1cccs1 O=S1CCN(CC1)[*:1] CC(C)C[C@@H]([NH2+]CC(C)(C)[*:1])c1cccs1
CC(C)C[C@@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)c1cccs1 CC(C)[*:1] CC(C)(C[NH2+][C@H](C[*:1])c1cccs1)N1CCS(=O)CC1
CC(C)C[C@@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)c1cccs1 c1csc(c1)[*:1] CC(C)C[C@@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)[*:1]
CC(C)C[C@@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)c1cccs1 CC(C)C[*:1] CC(C)(C[NH2+][C@@H](c1cccs1)[*:1])N1CCS(=O)CC1
CCCCCNC(=O)Nc1ccc(NC(=O)CC)cc1 CCCC[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)NC[*:1]
CCCCCNC(=O)Nc1ccc(NC(=O)CC)cc1 CCC[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)NCC[*:1]
CCCCCNC(=O)Nc1ccc(NC(=O)CC)cc1 CCC(=O)N[*:1] CCCCCNC(=O)Nc1ccc(cc1)[*:1]
CCCCCNC(=O)Nc1ccc(NC(=O)CC)cc1 CCCCC[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)N[*:1]
Cc1ccc(Oc2ncccc2CNc2ccc(Cl)nn2)cn1 Clc1ccc(nn1)[*:1] Cc1ccc(cn1)Oc1ncccc1CN[*:1]
Cc1ccc(Oc2ncccc2CNc2ccc(Cl)nn2)cn1 Cc1ccc(cn1)[*:1] Clc1ccc(nn1)NCc1cccnc1O[*:1]
C=CCNC(=O)c1ccc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)nc1 C=CC[*:1] C[C@@H]1CN(CC2CCN(CC2)c2ccc(cn2)C(=O)N[*:1])C[C@@H](C)O1
C=CCNC(=O)c1ccc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)nc1 C=CCNC(=O)[*:1] C[C@@H]1CN(CC2CCN(CC2)c2ccc(cn2)[*:1])C[C@@H](C)O1
C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC[C@@H]1O O[C@H]1CCC[C@H]1[*:1] C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[*:1]
Cc1cc(F)ccc1CCNC(=O)Cc1nc(CCl)cs1 ClCc1csc(n1)[*:1] Cc1cc(F)ccc1CCNC(=O)C[*:1]
CCC[NH2+][C@H](CCC)c1ccc(Br)o1 CCC[*:1] CCC[NH2+][C@H](c1ccc(Br)o1)[*:1]
CCC[NH2+][C@H](CCC)c1ccc(Br)o1 CCC[*:1] CCC[C@@H]([NH2+][*:1])c1ccc(Br)o1
Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 c1cc(ccn1)[*:1] Cc1nc(ncc1S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1CC=CCC1)[*:1]
CC(C)CCN1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)CC1 Fc1ccc(F)c(c1)[*:1] CC(C)CCN1CC[NH+](CC1)[C@@H](C)C(=O)N[*:1]
CC(C)CCN1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)CC1 CC(C)CC[*:1] C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCN(CC1)[*:1]
CC(C)CCN1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)CC1 CC(C)C[*:1] C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCN(CC1)C[*:1]
CC(C)CCN1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)CC1 CC(C)[*:1] C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCN(CC1)CC[*:1]
Nc1ccc(Cl)c(SC[C@H]2CC[C@H](C(=O)[O-])O2)c1 O=C([O-])[*:1] Nc1ccc(Cl)c(c1)SC[C@H]1CC[C@H](O1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O Cc1noc(C)c1[*:1] C[C@@H](NC(=O)c1ccc2C(=O)N(C(=O)c2c1)C1CCCCC1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O C1CCC(CC1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
Cc1cncc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 Cc1cncc(c1)[*:1] C[NH+](C)CCOc1ccc(cc1)CNC(=O)[*:1]
CC[C@H]1CCC[C@](Cc2ccc(OC)cc2)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@H]1CCC[C@](Cc2ccc(cc2)OC)(C1)[*:1]
COc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cs2)cc1 c1ccc(cc1)[*:1] COc1ccc(/C=N/N(C)c2nc(cs2)[*:1])cc1
CCn1/c(=N/C(=O)C(C)C)sc2cc(F)cc(F)c21 CC(C)[*:1] CCn1/c(=N/C(=O)[*:1])sc2cc(F)cc(F)c21
Cc1cc(C(=O)N2CCc3nc(NC(=O)c4cccs4)sc3C2)no1 Cc1cc(no1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])c1cccs1
Cc1cc(C(=O)N2CCc3nc(NC(=O)c4cccs4)sc3C2)no1 c1csc(c1)[*:1] Cc1cc(no1)C(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
Cc1cc(C(=O)N2CCc3nc(NC(=O)c4cccs4)sc3C2)no1 O=C(N[*:1])c1cccs1 Cc1cc(no1)C(=O)N1CCc2nc(sc2C1)[*:1]
C[C@H]1c2cccn2CCN1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 NC(=O)[*:1] C[C@H]1c2cccn2CCN1CC(=O)Nc1sc2CCCc2c1[*:1]
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CC2)C1 O=C([O-])C[*:1] C#CCN(C(=O)[C@@H]1CC(=O)N(C1)C1CC1)[*:1]
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CC2)C1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)[C@@H]1CC(=O)N(C1)C1CC1
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CC2)C1 C#CC[*:1] O=C([O-])CN(C(=O)[C@@H]1CC(=O)N(C1)C1CC1)[*:1]
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2ccc3ccccc3c2O)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2ccc3ccccc3c2O)[C@@H]1[*:1]
Cc1cc(C(C)(C)C)cc(C)c1C[C@H]([NH3+])COC(C)C CC(C)O[*:1] Cc1cc(cc(C)c1C[C@H]([NH3+])C[*:1])C(C)(C)C
Cc1cc(C(C)(C)C)cc(C)c1C[C@H]([NH3+])COC(C)C CC(C)[*:1] Cc1cc(cc(C)c1C[C@H]([NH3+])CO[*:1])C(C)(C)C
Cc1cc(C(C)(C)C)cc(C)c1C[C@H]([NH3+])COC(C)C CC(C)(C)[*:1] Cc1cc(cc(C)c1C[C@H]([NH3+])COC(C)C)[*:1]
Cc1cc(C(C)(C)C)cc(C)c1C[C@H]([NH3+])COC(C)C CC(C)OC[*:1] Cc1cc(cc(C)c1C[C@H]([NH3+])[*:1])C(C)(C)C
Cc1cnc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)s1 NC(=O)[*:1] Cc1cnc(NC(=O)C2C[C@@H](N(N=2)c2ccc(F)cc2)[*:1])s1
Cc1cnc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)s1 Cc1cnc(s1)[*:1] NC(=O)[C@@H]1CC(=NN1c1ccc(F)cc1)C(=O)N[*:1]
Cc1cnc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)s1 Fc1ccc(cc1)[*:1] Cc1cnc(NC(=O)C2C[C@@H](C(N)=O)N(N=2)[*:1])s1
O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1 C1CC1[*:1] O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[*:1]
COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](NC(C)=O)C1 CC(=O)N[*:1] COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](C1)[*:1]
COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](NC(C)=O)C1 COC(=O)[*:1] CC(=O)N[C@@H]1CCCN(C1)S(=O)(=O)c1ccsc1[*:1]
CN(C(=O)c1cccc(-c2ccoc2)c1)C1CCS(=O)CC1 c1cc(co1)[*:1] CN(C(=O)c1cccc(c1)[*:1])C1CCS(=O)CC1
CCC(=O)Nc1ccc(NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)C[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)N1CCC[NH+](CC1)[*:1]
CCC(=O)Nc1ccc(NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1 CCC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[NH+](CC1)Cc1ccc(F)cc1
CCC(=O)Nc1ccc(NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)N1CCC[NH+](CC1)C[*:1]
O=C(CC[NH+]1CCCC1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(CC[NH+]1CCCC1)N1CCN(CC1)[*:1]
O=C(NCCC(F)(F)F)N[C@@H]1C[C@@H]2CCCc3cccc1c32 FC(F)(F)[*:1] O=C(NCC[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
O=C(NCCC(F)(F)F)N[C@@H]1C[C@@H]2CCCc3cccc1c32 FC(F)(F)C[*:1] O=C(NC[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
O=C(NCCC(F)(F)F)N[C@@H]1C[C@@H]2CCCc3cccc1c32 FC(F)(F)CC[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)N[*:1]
C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCN(c2ccccn2)C1 c1ccc(nc1)[*:1] C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCN(C1)[*:1]
C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCN(c2ccccn2)C1 C1CC(CCO1)C[*:1] C[C@@H]([NH2+][C@H]1CCN(C1)c1ccccn1)[*:1]
C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCN(c2ccccn2)C1 C1CC(CCO1)[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CCN(C1)c1ccccn1
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1cccnc1 c1cncc(c1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)[*:1]
COc1ccccc1-c1noc(CN2C(=O)NC3(CCCCCCC3)C2=O)n1 COc1ccccc1[*:1] O=C1NC2(CCCCCCC2)C(=O)N1Cc1nc(no1)[*:1]
CC[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CC[NH+]1CCN(CC1)CC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 Cc1cccnc1[*:1] CN1C(=O)C[C@@H](C(=O)N[*:1])[C@H]1c1ccccc1
Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1[*:1]
O=C1CCc2cc(S(=O)(=O)N3CCc4nc(-c5cccc(F)c5)sc4C3)ccc2N1 Fc1cccc(c1)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N1CCc2nc(sc2C1)[*:1]
C=CCn1nc(SCC(=O)N2CCOCC2)nc1-c1ccc(Br)cc1 C=CC[*:1] O=C(CSc1nc(-c2ccc(Br)cc2)n(n1)[*:1])N1CCOCC1
C=CCn1nc(SCC(=O)N2CCOCC2)nc1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C=CCn1nc(nc1[*:1])SCC(=O)N1CCOCC1
C=CCn1nc(SCC(=O)N2CCOCC2)nc1-c1ccc(Br)cc1 O=C(N1CCOCC1)[*:1] C=CCn1nc(nc1-c1ccc(Br)cc1)SC[*:1]
C[C@@H](CC(=O)N(C)C)[NH2+]CCSC(C)(C)C CC(C)(C)[*:1] C[C@@H](CC(=O)N(C)C)[NH2+]CCS[*:1]
C[C@@H](CC(=O)N(C)C)[NH2+]CCSC(C)(C)C CC(C)(C)S[*:1] C[C@@H](CC(=O)N(C)C)[NH2+]CC[*:1]
C[C@@H](CC(=O)N(C)C)[NH2+]CCSC(C)(C)C CN(C)C(=O)[*:1] C[C@@H](C[*:1])[NH2+]CCSC(C)(C)C
COc1ccc(NC(=O)Cn2c(=O)nc(-c3cccs3)c3nc(C)sc32)c(OC)c1 c1csc(c1)[*:1] COc1ccc(NC(=O)Cn2c(=O)nc(c3nc(C)sc32)[*:1])c(c1)OC
COc1ccc(NC(=O)Cn2c(=O)nc(-c3cccs3)c3nc(C)sc32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1nc2c(nc(=O)n(CC(=O)N[*:1])c2s1)-c1cccs1
CC1CCN(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)C[*:1] CC1CCN(CC1)C(=O)CN1C(=O)NC(Cc2ccccc2)(C1=O)[*:1]
CC1CCN(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)CC1 CC1CCN(CC1)C(=O)[*:1] O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[*:1]
CC1CCN(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)CC1 CC1CCN(CC1)C(=O)C[*:1] O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1[*:1]
CC1CCN(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)CN1C(=O)NC(Cc2ccccc2)(C[*:1])C1=O
CCCC(=O)Nc1cccc(NC(=O)CS(=O)(=O)C2CCCC2)c1 CCC[*:1] O=C(CS(=O)(=O)C1CCCC1)Nc1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(NC(=O)CS(=O)(=O)C2CCCC2)c1 O=S(=O)(C1CCCC1)[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)C[*:1]
CCCC(=O)Nc1cccc(NC(=O)CS(=O)(=O)C2CCCC2)c1 CCCC(=O)N[*:1] O=C(CS(=O)(=O)C1CCCC1)Nc1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)CS(=O)(=O)C2CCCC2)c1 C1CCC(C1)[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)CS(=O)(=O)[*:1]
FC(F)n1ccnc1CNc1ccccc1C#Cc1ccccc1 c1ccc(cc1)[*:1] FC(F)n1ccnc1CNc1ccccc1C#C[*:1]
FC(F)n1ccnc1CNc1ccccc1C#Cc1ccccc1 C(#C[*:1])c1ccccc1 FC(F)n1ccnc1CNc1ccccc1[*:1]
FC(F)n1ccnc1CNc1ccccc1C#Cc1ccccc1 FC(F)[*:1] C(#Cc1ccccc1NCc1nccn1[*:1])c1ccccc1
FC(F)n1ccnc1CNc1ccccc1C#Cc1ccccc1 FC(F)n1ccnc1[*:1] C(#Cc1ccccc1NC[*:1])c1ccccc1
Cc1cc(C)c(C(=O)NCC(=O)Nc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)NCC(=O)N[*:1])c(C)c1
Cn1c(C2CC2)nc2cc(NC(=O)[C@@H]3CC3(C)C)ccc21 CC1(C)C[C@H]1[*:1] Cn1c(nc2cc(ccc21)NC(=O)[*:1])C1CC1
Cn1c(C2CC2)nc2cc(NC(=O)[C@@H]3CC3(C)C)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)[C@@H]1CC1(C)C)[*:1]
CC[C@@H]1CC(=O)N(CCCC(C)(C)C#N)C1 CC(C)(C#N)[*:1] CC[C@@H]1CC(=O)N(CCC[*:1])C1
Cn1cnc(CNC(=O)N2CCC(c3ccc(O)cc3)CC2)n1 Cn1cnc(C[*:1])n1 O=C(N[*:1])N1CCC(CC1)c1ccc(O)cc1
Cn1cnc(CNC(=O)N2CCC(c3ccc(O)cc3)CC2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])N1CCC(CC1)c1ccc(O)cc1
Cn1cnc(CNC(=O)N2CCC(c3ccc(O)cc3)CC2)n1 Oc1ccc(cc1)[*:1] Cn1cnc(CNC(=O)N2CCC(CC2)[*:1])n1
COCc1cc(-c2cn(C[C@@H](O)CO)nn2)ccc1OC OC[C@H](O)C[*:1] COCc1cc(ccc1OC)-c1cn(nn1)[*:1]
COCc1cc(-c2cn(C[C@@H](O)CO)nn2)ccc1OC OC[C@H](O)[*:1] COCc1cc(ccc1OC)-c1cn(C[*:1])nn1
COCc1cc(-c2cn(C[C@@H](O)CO)nn2)ccc1OC COC[*:1] COc1ccc(cc1[*:1])-c1cn(C[C@@H](O)CO)nn1
CCOC(=O)N1CCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)CC1 c1cc(ccn1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cc(c(s1)N1CCOCC1)[*:1]
CCOC(=O)N1CCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)CC1 C1CN(CCO1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cc(-c2ccncc2)c(s1)[*:1]
COCCCN1Cc2cc(NC(=O)C3CC3)ccc2OCC1=O C1CC1[*:1] COCCCN1Cc2cc(ccc2OCC1=O)NC(=O)[*:1]
COCCCN1Cc2cc(NC(=O)C3CC3)ccc2OCC1=O COC[*:1] O=C(Nc1ccc2OCC(=O)N(CC[*:1])Cc2c1)C1CC1
COCCCN1Cc2cc(NC(=O)C3CC3)ccc2OCC1=O COCCC[*:1] O=C(Nc1ccc2OCC(=O)N(Cc2c1)[*:1])C1CC1
COCCCN1Cc2cc(NC(=O)C3CC3)ccc2OCC1=O COCC[*:1] O=C(Nc1ccc2OCC(=O)N(Cc2c1)C[*:1])C1CC1
COCCCN1Cc2cc(NC(=O)C3CC3)ccc2OCC1=O O=C(N[*:1])C1CC1 COCCCN1Cc2cc(ccc2OCC1=O)[*:1]
CCCn1c(=O)n(CC(=O)Nc2cccc(Cl)c2)c2ccccc21 Clc1cccc(c1)[*:1] CCCn1c(=O)n(CC(=O)N[*:1])c2ccccc21
CCCn1c(=O)n(CC(=O)Nc2cccc(Cl)c2)c2ccccc21 CCC[*:1] O=C(Cn1c(=O)n(c2ccccc21)[*:1])Nc1cccc(Cl)c1
CCCn1cc(CCNC(=O)C2CCCCC2)c2cccnc21 C1CCC(CC1)[*:1] CCCn1cc(CCNC(=O)[*:1])c2cccnc21
CCCn1cc(CCNC(=O)C2CCCCC2)c2cccnc21 CCC[*:1] O=C(NCCc1cn(c2ncccc12)[*:1])C1CCCCC1
C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccs3)c2C#N)C1 c1csc(c1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=S)NC(=O)[*:1])c2C#N
CCc1ncc(CN2CCC([NH+]3CCN(Cc4ccccc4)CC3)CC2)cn1 c1ccc(cc1)[*:1] CCc1ncc(cn1)CN1CCC(CC1)[NH+]1CCN(CC1)C[*:1]
CCc1ncc(CN2CCC([NH+]3CCN(Cc4ccccc4)CC3)CC2)cn1 CCc1ncc(cn1)C[*:1] c1ccc(cc1)CN1CC[NH+](CC1)C1CCN(CC1)[*:1]
CCc1ncc(CN2CCC([NH+]3CCN(Cc4ccccc4)CC3)CC2)cn1 CCc1ncc(cn1)[*:1] c1ccc(cc1)CN1CC[NH+](CC1)C1CCN(CC1)C[*:1]
CCc1ncc(CN2CCC([NH+]3CCN(Cc4ccccc4)CC3)CC2)cn1 c1ccc(cc1)C[*:1] CCc1ncc(cn1)CN1CCC(CC1)[NH+]1CCN(CC1)[*:1]
CCN(CC)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)C[C@](C)(C(=O)[O-])[*:1]
CCN(CC)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CCN(CC)C(=O)C[C@](C)(c1ccccc1)[*:1]
O=C([O-])[C@]1(Cl)C=CC=C(c2ccccc2)C1 O=C([O-])[*:1] Cl[C@@]1(C=CC=C(C1)c1ccccc1)[*:1]
C[C@H](CC(=O)N(C)C)[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)cc1 CN(C)C(=O)[*:1] C[C@H](C[*:1])[NH2+][C@H](C)c1ccc(cc1)-c1ccc(F)cc1
C[C@H](CC(=O)N(C)C)[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@H](CC(=O)N(C)C)[NH2+][C@H](C)c1ccc(cc1)[*:1]
C[C@H](CC(=O)N(C)C)[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)cc1 CN(C)C(=O)C[*:1] C[C@@H]([NH2+][C@@H](C)[*:1])c1ccc(cc1)-c1ccc(F)cc1
O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C1N[C@]2(CCOc3ccccc32)C(=O)N1[*:1]
O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[*:1]
CCC[NH+]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CCC[NH+]1CCN(CC1)C(=O)Nc1ccc(cc1)CO[*:1]
CCC[NH+]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)CC1 CC(C)(C)O[*:1] CCC[NH+]1CCN(CC1)C(=O)Nc1ccc(cc1)C[*:1]
CCC[NH+]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)CC1 CC(C)(C)OC[*:1] CCC[NH+]1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
CCC[NH+]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)CC1 CCC[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)N1CC[NH+](CC1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(F)ccc1OC(C)C CC(C)O[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(F)ccc1[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(F)ccc1OC(C)C CC(C)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(F)ccc1O[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(F)ccc1OC(C)C Cc1noc(C)c1[*:1] CC(C)Oc1ccc(F)cc1NC(=O)N[C@H](C)[*:1]
Cc1ccc(S(=O)(=O)C[C@@H](SC#N)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)C[C@@H](SC#N)[*:1]
Cc1ccc(S(=O)(=O)C[C@@H](SC#N)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] N#CS[C@H](CS(=O)(=O)[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)C[C@@H](SC#N)c2ccccc2)cc1 N#CS[*:1] Cc1ccc(cc1)S(=O)(=O)C[C@@H](c1ccccc1)[*:1]
CC(C)N1C[C@H](C(=O)N[C@H](C)c2nnc3n2CCCCC3)CC1=O CC(C)[*:1] C[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1nnc2CCCCCn21
C[NH+](C)[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1)C1CCCCC1 FC(F)(F)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(nc1)[*:1])C1CCCCC1
C[NH+](C)[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(nc1)C(F)(F)F)[*:1]
O=C(NCC1(c2ccccc2)CCC1)NNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCC1(CCC1)c1ccccc1)NNC(=O)[*:1]
O=C(NCC1(c2ccccc2)CCC1)NNC(=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(NCC1(CCC1)[*:1])NNC(=O)c1ccc(Cl)cc1
C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)[O-])cc2C1=O c1ccc(cc1)[*:1] C[C@H](N1C(=O)c2ccc(cc2C1=O)C(=O)[O-])[*:1]
C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)[O-])cc2C1=O O=C([O-])[*:1] C[C@H](c1ccccc1)N1C(=O)c2ccc(cc2C1=O)[*:1]
CCCOc1ccc2c(c1)[C@@H]([NH2+]C)[C@H](C)C2 CCCO[*:1] C[NH2+][C@@H]1c2cc(ccc2C[C@H]1C)[*:1]
CCCOc1ccc2c(c1)[C@@H]([NH2+]C)[C@H](C)C2 CCC[*:1] C[NH2+][C@@H]1c2cc(ccc2C[C@H]1C)O[*:1]
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 Cc1nc(n[nH]1)[*:1] CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(c1)[*:1]
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 CC(=O)N[*:1] Cc1nc(n[nH]1)-c1cccc(c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)[*:1]
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N[C@@H](C[*:1])C(=O)Nc1cccc(c1)-c1n[nH]c(C)n1
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 c1ccc2c(c[nH]c2c1)C[*:1] CC(=O)N[C@@H](C(=O)Nc1cccc(c1)-c1n[nH]c(C)n1)[*:1]
CCCNc1nnc(-c2ccc(Cl)cc2F)c(C)c1C CCC[*:1] Cc1c(nnc(-c2ccc(Cl)cc2F)c1C)N[*:1]
CCCNc1nnc(-c2ccc(Cl)cc2F)c(C)c1C CCCN[*:1] Cc1c(nnc(c1C)[*:1])-c1ccc(Cl)cc1F
CCCn1cc(C(=O)NCc2ccccc2OCC)c2cccnc21 CCC[*:1] CCOc1ccccc1CNC(=O)c1cn(c2ncccc12)[*:1]
CCCn1cc(C(=O)NCc2ccccc2OCC)c2cccnc21 CCO[*:1] CCCn1cc(C(=O)NCc2ccccc2[*:1])c2cccnc21
Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)c1 Cc1cccc(c1)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccc(cc1)N1CCNC1=O)[*:1]
Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)c1 O=C1NCCN1[*:1] Cc1cccc(c1)C(C)(C)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(C#N)c2)o1 N#Cc1cccc(c1)[*:1] Cc1ccc(CN(CC[NH+](C)C)C(=O)N[*:1])o1
Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(C#N)c2)o1 Cc1ccc(o1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Nc1cccc(C#N)c1
Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(C#N)c2)o1 Cc1ccc(C[*:1])o1 C[NH+](C)CCN(C(=O)Nc1cccc(C#N)c1)[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2cc(C)n[nH]2)c1C1CC1 Cc1cc([nH]n1)[*:1] CC[C@@H](C)n1ncc(C(=O)N[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)Nc2cc(C)n[nH]2)c1C1CC1 CC[C@@H](C)[*:1] Cc1cc(NC(=O)c2cnn(c2C2CC2)[*:1])[nH]n1
CC[C@@H](C)n1ncc(C(=O)Nc2cc(C)n[nH]2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2cc(C)n[nH]2)c1[*:1]
CCCOc1ccc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)nn1 CCCO[*:1] O=C(c1cc2ccccc2oc1=O)N1CCN(CC1)c1ccc(nn1)[*:1]
CCCOc1ccc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)nn1 CCC[*:1] O=C(c1cc2ccccc2oc1=O)N1CCN(CC1)c1ccc(nn1)O[*:1]
COc1ccc(-n2ccnc2S[C@H](C)C(=O)N(C(C)C)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)N(C(=O)[C@@H](C)Sc1nccn1[*:1])C(C)C
COc1ccc(-n2ccnc2S[C@H](C)C(=O)N(C(C)C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)-n1ccnc1S[C@H](C)C(=O)N(C(C)C)[*:1]
CCOc1cc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OC C[C@H](c1ccccc1)[*:1] CCOc1cc(/C=C/C(=O)N[*:1])cc(Cl)c1OC
CCOc1cc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OC c1ccc(cc1)[*:1] CCOc1cc(/C=C/C(=O)N[C@H](C)[*:1])cc(Cl)c1OC
CCOc1cc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1[*:1]
COc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)Cn1nc(C)c2ccccc2c1=O Cc1nn(c(=O)c2ccccc12)[*:1] COc1cc(ccc1NC(=O)C[*:1])N1CCn2c(C1)nc1ccccc12
Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccccc2)cc1 Cc1noc(C)c1[*:1] O=S(=O)(Nc1ccccc1)c1ccc(cc1)[*:1]
Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1noc(C)c1-c1ccc(cc1)S(=O)(=O)N[*:1]
C[C@@H](Cn1cncn1)NC(=O)N1CCC(OCc2ccc(F)cc2)CC1 c1ncn(C[*:1])n1 C[C@@H](NC(=O)N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
C[C@@H](Cn1cncn1)NC(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@@H](Cn1cncn1)NC(=O)N1CCC(CC1)OC[*:1]
C[C@@H](Cn1cncn1)NC(=O)N1CCC(OCc2ccc(F)cc2)CC1 c1ncn(n1)[*:1] C[C@@H](C[*:1])NC(=O)N1CCC(CC1)OCc1ccc(F)cc1
C[C@@H](Cn1cncn1)NC(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] C[C@@H](Cn1cncn1)NC(=O)N1CCC(CC1)O[*:1]
Cc1ncc([C@@H](C)NCCc2c(C)cccc2C)s1 Cc1ncc(s1)[*:1] Cc1cccc(C)c1CCN[C@H](C)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 Clc1ccc(cc1Cl)[*:1] O=C(Nc1ccc2OCCOc2c1)N1CCN(CC1)[*:1]
CO[C@H](C[NH2+][C@H](C)c1nccs1)C(C)(C)C c1csc(n1)[*:1] CO[C@H](C[NH2+][C@H](C)[*:1])C(C)(C)C
CO[C@H](C[NH2+][C@H](C)c1nccs1)C(C)(C)C CC(C)(C)[*:1] CO[C@H](C[NH2+][C@H](C)c1nccs1)[*:1]
O=C(CNc1ccccc1OC(F)(F)F)Nc1ccc2c(c1)OCO2 FC(F)(F)O[*:1] O=C(CNc1ccccc1[*:1])Nc1ccc2OCOc2c1
O=C(CNc1ccccc1OC(F)(F)F)Nc1ccc2c(c1)OCO2 FC(F)(F)[*:1] O=C(CNc1ccccc1O[*:1])Nc1ccc2OCOc2c1
C[C@H]1CCN(C(=O)c2cnoc2-c2ccc(Cl)s2)C[C@@H]1O Clc1ccc(s1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1cnoc1[*:1]
O=C(N/N=C/c1ccccc1Cl)c1cccnc1 c1cncc(c1)[*:1] O=C(N/N=C/c1ccccc1Cl)[*:1]
Cc1c[nH]c(CN(C)C(=O)c2cc(C[NH+]3CCC(Cc4ccccc4)CC3)on2)[nH+]1 c1ccc(cc1)[*:1] Cc1c[nH]c(CN(C)C(=O)c2cc(C[NH+]3CCC(CC3)C[*:1])on2)[nH+]1
Cc1c[nH]c(CN(C)C(=O)c2cc(C[NH+]3CCC(Cc4ccccc4)CC3)on2)[nH+]1 c1ccc(cc1)C[*:1] Cc1c[nH]c(CN(C)C(=O)c2cc(C[NH+]3CCC(CC3)[*:1])on2)[nH+]1
COCCn1cnnc1[C@@H]1CCCCN1S(C)(=O)=O COC[*:1] CS(=O)(=O)N1CCCC[C@H]1c1nncn1C[*:1]
COCCn1cnnc1[C@@H]1CCCCN1S(C)(=O)=O COCC[*:1] CS(=O)(=O)N1CCCC[C@H]1c1nncn1[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Fc1cccc(Cl)c1C[*:1] CN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
CC[C@H](C[NH2+]CC(C)C)c1cccc(Cl)c1 CC(C)[*:1] CC[C@H](C[NH2+]C[*:1])c1cccc(Cl)c1
CC[C@H](C[NH2+]CC(C)C)c1cccc(Cl)c1 CC(C)C[*:1] CC[C@H](C[NH2+][*:1])c1cccc(Cl)c1
COCCCn1cc(C(=O)N2CCN(C)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 COCC[*:1] CN1CCN(CC1)C(=O)c1cn(cc2-c1nn(-c1ccccc1)c2=O)C[*:1]
COCCCn1cc(C(=O)N2CCN(C)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] COCCCn1cc(C(=O)N2CCN(C)CC2)c2nn(c(=O)c-2c1)[*:1]
COCCCn1cc(C(=O)N2CCN(C)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 COC[*:1] CN1CCN(CC1)C(=O)c1cn(cc2-c1nn(-c1ccccc1)c2=O)CC[*:1]
COCCCn1cc(C(=O)N2CCN(C)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 CN1CCN(CC1)C(=O)[*:1] COCCCn1cc(c2nn(-c3ccccc3)c(=O)c-2c1)[*:1]
COCCCn1cc(C(=O)N2CCN(C)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 COCCC[*:1] CN1CCN(CC1)C(=O)c1cn(cc2-c1nn(-c1ccccc1)c2=O)[*:1]
O/N=C1\[C@H]2CC[C@H](C2)[C@H]1Sc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] O/N=C1\[C@H]2CC[C@H](C2)[C@H]1Sc1nnnn1[*:1]
C#C[C@@H](Cc1ccccc1)OC(=O)c1cccc2c1O[C@H](C)C(=O)N2 c1ccc(cc1)C[*:1] C#C[C@@H](OC(=O)c1cccc2NC(=O)[C@@H](C)Oc21)[*:1]
C#C[C@@H](Cc1ccccc1)OC(=O)c1cccc2c1O[C@H](C)C(=O)N2 c1ccc(cc1)[*:1] C#C[C@@H](C[*:1])OC(=O)c1cccc2NC(=O)[C@@H](C)Oc21
COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccoc3)n2)cn1 c1cc(co1)[*:1] COc1ccc(cn1)-c1noc(n1)[C@@H](C)NC(=O)[*:1]
CSc1ccc(CN2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)cc1 CSc1ccc(cc1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1N1CCN(CC1)[*:1]
CSc1ccc(CN2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)cc1 CSc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1N1CCN(CC1)C[*:1]
CSc1ccc(CN2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)CN1CCN(CC1)c1c(C)nn(c1C)[*:1]
COCCCN1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O COCCC[*:1] O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(C1=O)[*:1]
COCCCN1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O COC[*:1] O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(CC[*:1])C1=O
COCCCN1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O COCC[*:1] O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(C[*:1])C1=O
COCCCN1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O O=C([O-])[*:1] COCCCN1C(=O)C[C@@H](Sc2ncccc2[*:1])C1=O
CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cnc2ccccc2n1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H]1COc1cnc2ccccc2n1
COc1ccc(NC(=O)c2cccnc2Sc2ccc(C)cc2)cn1 Cc1ccc(cc1)S[*:1] COc1ccc(cn1)NC(=O)c1cccnc1[*:1]
COc1ccc(NC(=O)c2cccnc2Sc2ccc(C)cc2)cn1 COc1ccc(cn1)[*:1] Cc1ccc(cc1)Sc1ncccc1C(=O)N[*:1]
COc1ccc(NC(=O)c2cccnc2Sc2ccc(C)cc2)cn1 Cc1ccc(cc1)[*:1] COc1ccc(cn1)NC(=O)c1cccnc1S[*:1]
FC(F)COc1ccc(CN2CCOC3(CCOCC3)C2)cc1 FC(F)CO[*:1] c1cc(ccc1CN1CCOC2(CCOCC2)C1)[*:1]
FC(F)COc1ccc(CN2CCOC3(CCOCC3)C2)cc1 FC(F)[*:1] c1cc(ccc1CN1CCOC2(CCOCC2)C1)OC[*:1]
FC(F)COc1ccc(CN2CCOC3(CCOCC3)C2)cc1 FC(F)C[*:1] c1cc(ccc1CN1CCOC2(CCOCC2)C1)O[*:1]
CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)[C@@H]1CCCO1 c1nnnn1[*:1] CC[C@H]([NH2+][C@@H](C)c1ccc(cc1)[*:1])[C@@H]1CCCO1
CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@H]([NH2+][C@@H](C)c1ccc(cc1)-n1cnnn1)[*:1]
CC(C)Oc1ccccc1/C=C(/C[NH3+])C(C)C CC(C)[*:1] CC(C)Oc1ccccc1/C=C(/C[NH3+])[*:1]
CC(C)Oc1ccccc1/C=C(/C[NH3+])C(C)C CC(C)O[*:1] CC(C)/C(=C\c1ccccc1[*:1])C[NH3+]
CC(C)Oc1ccccc1/C=C(/C[NH3+])C(C)C CC(C)[*:1] CC(C)/C(=C\c1ccccc1O[*:1])C[NH3+]
CCCNS(=O)(=O)c1ccc(N)cc1C CCC[*:1] Cc1cc(N)ccc1S(=O)(=O)N[*:1]
CN1CCN(C(=O)c2cc(-c3cccs3)n(CC(=O)NC3=NCCS3)n2)CC1 CN1CCN(CC1)C(=O)[*:1] O=C(Cn1nc(cc1-c1cccs1)[*:1])NC1=NCCS1
CN1CCN(C(=O)c2cc(-c3cccs3)n(CC(=O)NC3=NCCS3)n2)CC1 c1csc(c1)[*:1] CN1CCN(CC1)C(=O)c1cc(n(CC(=O)NC2=NCCS2)n1)[*:1]
Cc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1)NC[C@H]([NH+]1CCCCC1)[*:1]
Cc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCCC2)cc1 Brc1ccc(cc1)O[*:1] Cc1ccc(cc1)[C@H](CNC(=O)C[*:1])[NH+]1CCCCC1
Cc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCCC2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)CO[*:1])[NH+]1CCCCC1
Cc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCCC2)cc1 Brc1ccc(cc1)OC[*:1] Cc1ccc(cc1)[C@H](CNC(=O)[*:1])[NH+]1CCCCC1
O=C(c1cc(F)cc(F)c1)N(CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] O=C(c1cc(F)cc(F)c1)N(CC1CC[NH2+]CC1)[*:1]
N#CCN(Cc1ccccc1)S(=O)(=O)C[C@H]1CCCCO1 c1ccc(cc1)[*:1] N#CCN(C[*:1])S(=O)(=O)C[C@H]1CCCCO1
N#CCN(Cc1ccccc1)S(=O)(=O)C[C@H]1CCCCO1 N#CC[*:1] O=S(=O)(C[C@H]1CCCCO1)N(Cc1ccccc1)[*:1]
N#CCN(Cc1ccccc1)S(=O)(=O)C[C@H]1CCCCO1 c1ccc(cc1)C[*:1] N#CCN(S(=O)(=O)C[C@H]1CCCCO1)[*:1]
N#CCN(Cc1ccccc1)S(=O)(=O)C[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] N#CCN(Cc1ccccc1)S(=O)(=O)C[*:1]
CCC[C@@H](C#N)[C@@H](O)c1ccc(F)cc1 CCC[*:1] N#C[C@@H]([C@@H](O)c1ccc(F)cc1)[*:1]
CN(C[C@H]1Cc2ccccc2CN1C)C(=O)Nc1nnc(C2CCC2)s1 C1CC(C1)[*:1] CN(C[C@H]1Cc2ccccc2CN1C)C(=O)Nc1nnc(s1)[*:1]
C[C@]12C[C@H](c3ccccc3O1)N(C(=O)c1ccco1)C(=S)N2c1ccc(F)cc1 c1coc(c1)[*:1] C[C@]12C[C@H](c3ccccc3O1)N(C(=O)[*:1])C(=S)N2c1ccc(F)cc1
C[C@]12C[C@H](c3ccccc3O1)N(C(=O)c1ccco1)C(=S)N2c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@]12C[C@H](c3ccccc3O1)N(C(=O)c1ccco1)C(=S)N2[*:1]
CC(C)(C)N1C[C@H](NC(=O)C(=O)Nc2ccnn2C(C)(C)C)CC1=O CC(C)(C)[*:1] CC(C)(C)N1C[C@@H](CC1=O)NC(=O)C(=O)Nc1ccnn1[*:1]
CC(C)(C)N1C[C@H](NC(=O)C(=O)Nc2ccnn2C(C)(C)C)CC1=O CC(C)(C)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2Oc2ccccc21 Clc1ccc(cc1)[*:1] CN1C(=O)c2cc(ccc2Oc2ccccc21)NC(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCc2nncn2C2CC2)c(C)c1 C1CC1[*:1] Cc1ccc(NC(=O)C(=O)NCc2nncn2[*:1])c(C)c1
Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCCOc3ccccc3)ccc21 c1ccc(cc1)OCC[*:1] Cn1c(nc2cc(ccc21)C(=O)NC[*:1])N1CC[C@H](O)C1
Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCCOc3ccccc3)ccc21 c1ccc(cc1)[*:1] Cn1c(nc2cc(ccc21)C(=O)NCCCO[*:1])N1CC[C@H](O)C1
Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCCOc3ccccc3)ccc21 c1ccc(cc1)O[*:1] Cn1c(nc2cc(ccc21)C(=O)NCCC[*:1])N1CC[C@H](O)C1
Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCCOc3ccccc3)ccc21 c1ccc(cc1)OC[*:1] Cn1c(nc2cc(ccc21)C(=O)NCC[*:1])N1CC[C@H](O)C1
COc1cccc(-c2nc(CC(=O)N3CCN(C(=O)CCc4ccccc4)[C@@H](C)C3)no2)c1 c1ccc(cc1)CC[*:1] COc1cccc(c1)-c1nc(CC(=O)N2CCN(C(=O)[*:1])[C@@H](C)C2)no1
COc1cccc(-c2nc(CC(=O)N3CCN(C(=O)CCc4ccccc4)[C@@H](C)C3)no2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1nc(CC(=O)N2CCN(C(=O)CC[*:1])[C@@H](C)C2)no1
COc1cccc(-c2nc(CC(=O)N3CCN(C(=O)CCc4ccccc4)[C@@H](C)C3)no2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)-c1nc(CC(=O)N2CCN(C(=O)C[*:1])[C@@H](C)C2)no1
COc1cccc(-c2nc(CC(=O)N3CCN(C(=O)CCc4ccccc4)[C@@H](C)C3)no2)c1 COc1cccc(c1)[*:1] C[C@H]1CN(CCN1C(=O)CCc1ccccc1)C(=O)Cc1noc(n1)[*:1]
CC[C@@H](C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCC(CC1)C(=O)Nc1cc(C)on1)[*:1]
CC[C@@H](C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1ccccc1 Cc1cc(no1)[*:1] CC[C@@H](C(=O)N1CCC(CC1)C(=O)N[*:1])c1ccccc1
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc3c(c1)OCO3)CC2 c1cc2OCOc2cc1[*:1] COc1cc2CCN(C(=O)[*:1])[C@@H](c3cccs3)c2cc1OC
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc3c(c1)OCO3)CC2 c1csc(c1)[*:1] COc1cc2CCN(C(=O)c3ccc4OCOc4c3)[C@@H](c2cc1OC)[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N(C[*:1])C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1)N(Cc1ccco1)[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 c1cc2OCCOc2cc1[*:1] Cc1ccc(cc1)N(Cc1ccco1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)N(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
Cc1cc([C@H](C(=O)[O-])[NH+]2CCN(C)CC2)ccc1Br O=C([O-])[*:1] Cc1cc(ccc1Br)[C@H]([NH+]1CCN(C)CC1)[*:1]
O=Cc1c(OC[C@H]2CO2)ccc2ccccc12 C1O[C@H]1[*:1] O=Cc1c(ccc2ccccc12)OC[*:1]
O=Cc1c(OC[C@H]2CO2)ccc2ccccc12 C1O[C@H]1C[*:1] O=Cc1c(ccc2ccccc12)O[*:1]
O=Cc1c(OC[C@H]2CO2)ccc2ccccc12 C1O[C@H]1CO[*:1] O=Cc1c(ccc2ccccc12)[*:1]
Cc1cc2c(=O)n(C[C@H](O)c3ccc(Cl)cc3)cnc2s1 Clc1ccc(cc1)[*:1] Cc1cc2c(=O)n(cnc2s1)C[C@H](O)[*:1]
Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(CCCN1CCOCC1)CO2 C1CN(CCO1)CC[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3c(F)cccc3Cl)Oc21)C[*:1]
Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(CCCN1CCOCC1)CO2 C(CN1CCOCC1)C[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3c(F)cccc3Cl)Oc21)[*:1]
Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(CCCN1CCOCC1)CO2 Fc1cccc(Cl)c1[*:1] Cc1c2OCN(CCCN3CCOCC3)Cc2cc2C(=O)C(=C[*:1])Oc21
Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(CCCN1CCOCC1)CO2 C1CN(CCO1)[*:1] Cc1c2OCN(CCC[*:1])Cc2cc2C(=O)/C(=C/c3c(F)cccc3Cl)Oc21
Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(CCCN1CCOCC1)CO2 C1CN(CCO1)C[*:1] Cc1c2OCN(CC[*:1])Cc2cc2C(=O)/C(=C/c3c(F)cccc3Cl)Oc21
C=CCN(CC=C)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C c1csc(c1)[*:1] C=CCN(CC=C)C(=O)c1cnn(-c2nccc(n2)[*:1])c1C
C=CCN(CC=C)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C C=CC[*:1] C=CCN(C(=O)c1cnn(-c2nccc(n2)-c2cccs2)c1C)[*:1]
CCN(CC)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 C1CN(CCO1)[*:1] CCN(CC)C(=O)NC[C@]1(CCSC1)[*:1]
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1C)CC2 Cc1ccc(C[*:1])c(C)c1 COCCC(=O)N[C@@H](C)c1nnc2CCN(CCn21)[*:1]
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1C)CC2 Cc1ccc(c(C)c1)[*:1] COCCC(=O)N[C@@H](C)c1nnc2CCN(CCn21)C[*:1]
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1C)CC2 COCC[*:1] Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)[*:1])n3CC2)c(C)c1
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1C)CC2 COCCC(=O)N[*:1] Cc1ccc(CN2CCc3nnc([C@H](C)[*:1])n3CC2)c(C)c1
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1C)CC2 COC[*:1] Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C[*:1])n3CC2)c(C)c1
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@H](C)O)cc1 C[C@H](O)[*:1] COc1ccc(cc1)[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1C[*:1]
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@H](C)O)cc1 C[C@H](O)C[*:1] COc1ccc(cc1)[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@H](C)O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C[C@H](C)O
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@H](C)O)cc1 O=C(c1ccccc1)[*:1] COc1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1C[C@H](C)O)[*:1]
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@H](C)O)cc1 COc1ccc(cc1)[*:1] C[C@H](O)CN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1[*:1]
C#CCNC[C@H](C)Sc1cc2ccccc2[nH]1 C#CCN[*:1] C[C@@H](C[*:1])Sc1cc2ccccc2[nH]1
C#CCNC[C@H](C)Sc1cc2ccccc2[nH]1 C#CC[*:1] C[C@@H](CN[*:1])Sc1cc2ccccc2[nH]1
C#CCNC[C@H](C)Sc1cc2ccccc2[nH]1 C#CCNC[*:1] C[C@H](Sc1cc2ccccc2[nH]1)[*:1]
C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2c(c1)CCC2 Clc1ccc(cc1Cl)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)Nc1ccc2CCCc2c1
CCCn1c(N2CCN(C(=O)COc3ccccc3Cl)CC2)nc2cc3c(cc2c1=O)OCCO3 Clc1ccccc1OC[*:1] CCCn1c(nc2cc3OCCOc3cc2c1=O)N1CCN(CC1)C(=O)[*:1]
CCCn1c(N2CCN(C(=O)COc3ccccc3Cl)CC2)nc2cc3c(cc2c1=O)OCCO3 Clc1ccccc1O[*:1] CCCn1c(nc2cc3OCCOc3cc2c1=O)N1CCN(CC1)C(=O)C[*:1]
CCCn1c(N2CCN(C(=O)COc3ccccc3Cl)CC2)nc2cc3c(cc2c1=O)OCCO3 Clc1ccccc1[*:1] CCCn1c(nc2cc3OCCOc3cc2c1=O)N1CCN(CC1)C(=O)CO[*:1]
CCCn1c(N2CCN(C(=O)COc3ccccc3Cl)CC2)nc2cc3c(cc2c1=O)OCCO3 CCC[*:1] O=C(COc1ccccc1Cl)N1CCN(CC1)c1nc2cc3OCCOc3cc2c(=O)n1[*:1]
CC(C)CCO[C@@H]1CC[C@@](CO)([NH2+]C(C)C)C1 CC(C)C[*:1] CC(C)[NH2+][C@]1(CO)CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CC[C@@](CO)([NH2+]C(C)C)C1 CC(C)[*:1] CC(C)[NH2+][C@]1(CO)CC[C@H](C1)OCC[*:1]
CC(C)CCO[C@@H]1CC[C@@](CO)([NH2+]C(C)C)C1 CC(C)CC[*:1] CC(C)[NH2+][C@]1(CO)CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CC[C@@](CO)([NH2+]C(C)C)C1 CC(C)[*:1] CC(C)CCO[C@@H]1CC[C@](CO)(C1)[NH2+][*:1]
CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCCC[C@H]2[S@@](=O)CC)CC1 CC[S@](=O)[*:1] CC[NH+]1CCN(CC1)c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1[*:1]
C[C@H](O)[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] C[C@H](O)[C@H](C)[*:1] O=C([O-])[C@H](Cc1ccccc1)[*:1]
C[C@H](O)[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](O)[C@H](C)[C@@H](Cc1ccccc1)[*:1]
C[C@H](O)[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] C[C@H](O)[*:1] C[C@H]([C@@H](Cc1ccccc1)C(=O)[O-])[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)[C@H](C)c2cccs2)CC1 Cc1cccc(C)c1[*:1] C[C@@H](C(=O)N1CCC(CC1)O[*:1])c1cccs1
Cc1cccc(C)c1OC1CCN(C(=O)[C@H](C)c2cccs2)CC1 c1csc(c1)[*:1] Cc1cccc(C)c1OC1CCN(CC1)C(=O)[C@H](C)[*:1]
CC(=O)Nc1sc2c(c1[C@H](c1cccc(F)c1)[NH+]1CCCCC1)CCCC2 Fc1cccc(c1)[*:1] CC(=O)Nc1sc2CCCCc2c1[C@H]([NH+]1CCCCC1)[*:1]
CC(=O)Nc1sc2c(c1[C@H](c1cccc(F)c1)[NH+]1CCCCC1)CCCC2 CC(=O)N[*:1] Fc1cccc(c1)[C@@H](c1c(sc2CCCCc21)[*:1])[NH+]1CCCCC1
Cn1cc(C#N)cc1C(=O)NCC1(c2cccc(Br)c2)CC1 Brc1cccc(c1)[*:1] Cn1cc(C#N)cc1C(=O)NCC1(CC1)[*:1]
COc1cc(OC)c2[nH]c(C(=O)Nc3ccc(-n4cccn4)cc3)cc2c1 c1cnn(c1)[*:1] COc1cc(OC)c2[nH]c(cc2c1)C(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccccc1Br Brc1ccccc1[*:1] O=C(Nc1nnc(o1)-c1cc2ccccc2o1)[*:1]
C[C@H](NC(=O)CCCc1cccs1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)CCCc1cccs1)[*:1]
C[C@H](NC(=O)CCCc1cccs1)c1ccncc1 c1csc(c1)C[*:1] C[C@H](NC(=O)CC[*:1])c1ccncc1
C[C@H](NC(=O)CCCc1cccs1)c1ccncc1 c1csc(c1)[*:1] C[C@H](NC(=O)CCC[*:1])c1ccncc1
CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn(C)c1C O=S1(=O)CC[C@@H](C1)[*:1] CCN(S(=O)(=O)c1c(C)nn(C)c1C)[*:1]
CCN(C[C@H]1CCCO1)[C@H](C[NH3+])CC(=O)N1CCCCC1 C1CO[C@H](C1)C[*:1] CCN([C@H](C[NH3+])CC(=O)N1CCCCC1)[*:1]
CCN(C[C@H]1CCCO1)[C@H](C[NH3+])CC(=O)N1CCCCC1 C1CO[C@H](C1)[*:1] CCN(C[*:1])[C@H](C[NH3+])CC(=O)N1CCCCC1
O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1ccc(OC(F)F)c(Cl)c1)[*:1]
O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccn1 FC(F)O[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1ccccn1
O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccn1 FC(F)[*:1] O=C(Nc1ccc(O[*:1])c(Cl)c1)c1ccccn1
COC(=O)/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(Cc2ccc(F)cc2)C1=O O=C([O-])[*:1] COC(=O)/C=C1/S/C(=N\c2ccc(cc2)[*:1])N(Cc2ccc(F)cc2)C1=O
COC(=O)/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] COC(=O)/C=C1/S/C(=N\c2ccc(cc2)C(=O)[O-])N(C[*:1])C1=O
COC(=O)/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(Cc2ccc(F)cc2)C1=O COC(=O)[*:1] O=C([O-])c1ccc(cc1)/N=C1\SC(=C[*:1])C(=O)N1Cc1ccc(F)cc1
COC(=O)/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)C[*:1] COC(=O)/C=C1/S/C(=N\c2ccc(cc2)C(=O)[O-])N(C1=O)[*:1]
COC(=O)/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(Cc2ccc(F)cc2)C1=O O=C([O-])c1ccc(cc1)[*:1] COC(=O)/C=C1/SC(=N[*:1])N(Cc2ccc(F)cc2)C1=O
Cc1cc(NC(=O)/C=C/c2ccco2)cc(C(=O)[O-])c1O O=C([O-])[*:1] Cc1cc(cc(c1O)[*:1])NC(=O)/C=C/c1ccco1
Cc1cc(NC(=O)/C=C/c2ccco2)cc(C(=O)[O-])c1O C(=C[*:1])c1ccco1 Cc1cc(cc(C(=O)[O-])c1O)NC(=O)[*:1]
Cc1cc(NC(=O)/C=C/c2ccco2)cc(C(=O)[O-])c1O c1coc(c1)[*:1] Cc1cc(cc(C(=O)[O-])c1O)NC(=O)C=C[*:1]
Cc1n[nH]c(-c2cccc(C[NH2+][C@H](C)c3cc(Cl)ccc3Cl)c2)n1 Cc1n[nH]c(n1)[*:1] C[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1cc(Cl)ccc1Cl
Cc1n[nH]c(-c2cccc(C[NH2+][C@H](C)c3cc(Cl)ccc3Cl)c2)n1 Clc1ccc(Cl)c(c1)[*:1] Cc1n[nH]c(n1)-c1cccc(c1)C[NH2+][C@H](C)[*:1]
O=C([C@H]1C=C(c2ccco2)N=N1)N1CC[NH+](C2CCCCC2)CC1 c1coc(c1)[*:1] O=C([C@H]1C=C(N=N1)[*:1])N1CC[NH+](CC1)C1CCCCC1
O=C([C@H]1C=C(c2ccco2)N=N1)N1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C([C@H]1C=C(N=N1)c1ccco1)N1CC[NH+](CC1)[*:1]
Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCCc4ccccc4)cnc32)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)-n1ncc2c(=O)n(cnc21)CC(=O)N[*:1]
Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCCc4ccccc4)cnc32)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1ncc2c(=O)n(cnc21)CC(=O)NC[*:1]
Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCCc4ccccc4)cnc32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1ncc2c(=O)n(cnc21)CC(=O)NCC[*:1]
Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCCc4ccccc4)cnc32)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1cnc2c(cnn2[*:1])c1=O)NCCc1ccccc1
O=C(CCSc1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1 O=[N+]([O-])[*:1] O=C(CCSc1ccc(cc1)[*:1])Oc1ccc(Br)cc1
O=C(CCSc1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCSc1ccc(cc1)[N+](=O)[O-])O[*:1]
CCOc1ccccc1/C=C/C(=O)O[C@@H]1CC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCOc1ccccc1/C=C/C(=O)O[C@@H]1CC[C@@H](C1)[*:1]
CCOc1ccccc1/C=C/C(=O)O[C@@H]1CC[C@@H](S(C)(=O)=O)C1 CCO[*:1] CS(=O)(=O)[C@@H]1CC[C@H](C1)OC(=O)/C=C/c1ccccc1[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)CC[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1 CC(=O)N[*:1] Cc1ccc(cc1)CCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)CC[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
CCN(C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2cc(C)ccc12)C(C)C CCN(C(=O)[*:1])C(C)C Cc1ccc2c(cc(nc2c1)-c1cnc(nc1)C(C)C)[*:1]
CCN(C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2cc(C)ccc12)C(C)C CC(C)[*:1] CCN(C(=O)c1cc(nc2cc(C)ccc12)-c1cnc(nc1)[*:1])C(C)C
CCN(C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2cc(C)ccc12)C(C)C CC(C)c1ncc(cn1)[*:1] CCN(C(=O)c1cc(nc2cc(C)ccc12)[*:1])C(C)C
CCN(C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2cc(C)ccc12)C(C)C CC(C)[*:1] CCN(C(=O)c1cc(nc2cc(C)ccc12)-c1cnc(nc1)C(C)C)[*:1]
CCC(=O)NC[C@@H]1CCCN(C(=O)Nc2cc(C)cc(C)c2)C1 CCC(=O)N[*:1] Cc1cc(C)cc(c1)NC(=O)N1CCC[C@H](C1)C[*:1]
CCC(=O)NC[C@@H]1CCCN(C(=O)Nc2cc(C)cc(C)c2)C1 CCC(=O)NC[*:1] Cc1cc(C)cc(c1)NC(=O)N1CCC[C@H](C1)[*:1]
CC(C)(C)OC(=O)N1CCN(Cc2c(F)cccc2Br)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCN(CC1)Cc1c(F)cccc1Br
Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)o2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)N[C@@H]1CCCc2ccccc21
O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2nc3ccccc3s2)C1 c1cc2OCOc2cc1[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)c1nc2ccccc2s1
O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] O=C(NCCc1ccc2OCOc2c1)[C@@H]1CCCN(C1)[*:1]
COc1cccc(CN2C[C@H](C(=O)N(C)C[C@H]3[NH+]=c4ccc(F)cc4=[NH+]3)CCC2=O)c1 COc1cccc(c1)[*:1] CN(C[C@H]1[NH+]=c2ccc(F)cc2=[NH+]1)C(=O)[C@@H]1CCC(=O)N(C1)C[*:1]
COc1cccc(CN2C[C@H](C(=O)N(C)C[C@H]3[NH+]=c4ccc(F)cc4=[NH+]3)CCC2=O)c1 COc1cccc(c1)C[*:1] CN(C[C@H]1[NH+]=c2ccc(F)cc2=[NH+]1)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
COc1ccc2nc(C(=O)OC[C@H]3CCCCO3)ccc2c1 C1CC[C@H](C[*:1])OC1 COc1ccc2nc(ccc2c1)C(=O)O[*:1]
COc1ccc2nc(C(=O)OC[C@H]3CCCCO3)ccc2c1 C1CC[C@@H](OC1)[*:1] COc1ccc2nc(ccc2c1)C(=O)OC[*:1]
COc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2cccs2)CC3=O)cc1 c1csc(c1)[*:1] COc1ccc(cc1)Nc1nc(C)c2C(=O)C[C@H](Cc2n1)[*:1]
COc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2cccs2)CC3=O)cc1 COc1ccc(cc1)[*:1] Cc1nc(nc2C[C@H](CC(=O)c12)c1cccs1)N[*:1]
COC(=O)c1ccc(S(=O)(=O)N[C@@H](C#N)c2ccccc2F)cc1C COC(=O)[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)N[C@@H](C#N)c1ccccc1F
COC(=O)c1ccc(S(=O)(=O)N[C@@H](C#N)c2ccccc2F)cc1C Fc1ccccc1[*:1] COC(=O)c1ccc(cc1C)S(=O)(=O)N[C@@H](C#N)[*:1]
COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N[C@H]2CCCc3ccccc32)c1 O=C(C1CC1)N1CCC(CC1)[*:1] COc1ccc(O[*:1])c(c1)C(=O)N[C@H]1CCCc2ccccc21
COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N[C@H]2CCCc3ccccc32)c1 C1CC1[*:1] COc1ccc(OC2CCN(CC2)C(=O)[*:1])c(c1)C(=O)N[C@H]1CCCc2ccccc21
Cn1ncnc1NC(=O)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] Cn1ncnc1NC(=O)N1CCN(CC1)[*:1]
Cn1ncnc1NC(=O)N1CCN(c2ccc(O)cc2)CC1 Cn1ncnc1[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(O)cc1
Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCN(C)C(=O)C2)no1 Cc1cc(no1)[*:1] C[C@H](SCC(=O)N1CCN(C)C(=O)C1)C(=O)N[*:1]
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cc2ccccn2c1 c1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)[*:1])c1cc2ccccn2c1
C[C@](O)(CNC(=O)/C=C/c1ccco1)CSc1ccccc1 c1ccc(cc1)S[*:1] C[C@](O)(CNC(=O)/C=C/c1ccco1)C[*:1]
C[C@](O)(CNC(=O)/C=C/c1ccco1)CSc1ccccc1 c1coc(c1)[*:1] C[C@](O)(CNC(=O)C=C[*:1])CSc1ccccc1
C[C@](O)(CNC(=O)/C=C/c1ccco1)CSc1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNC(=O)/C=C/c1ccco1)CS[*:1]
C[C@](O)(CNC(=O)/C=C/c1ccco1)CSc1ccccc1 C(=C[*:1])c1ccco1 C[C@](O)(CNC(=O)[*:1])CSc1ccccc1
COc1cccc(CN[C@@H](C(=O)NC2CC2)c2ccccc2)c1 C1CC1[*:1] COc1cccc(c1)CN[C@@H](C(=O)N[*:1])c1ccccc1
COc1cccc(CN[C@@H](C(=O)NC2CC2)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CN[C@@H](C(=O)NC1CC1)[*:1]
COc1cccc(CN[C@@H](C(=O)NC2CC2)c2ccccc2)c1 O=C(NC1CC1)[*:1] COc1cccc(c1)CN[C@@H](c1ccccc1)[*:1]
O=C(Nc1cccc(CN2CCCC2=O)c1)[C@H]1Cc2ccccc2O1 O=C1CCCN1[*:1] O=C(Nc1cccc(c1)C[*:1])[C@H]1Cc2ccccc2O1
O=C(Nc1cccc(CN2CCCC2=O)c1)[C@H]1Cc2ccccc2O1 O=C1CCCN1C[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1Cc2ccccc2O1
CC(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCCCC2)cn1 CC(C)(C)[NH2+]C[*:1] c1cc(ncc1OCC[NH+]1CCCCC1)[*:1]
CC(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCCCC2)cn1 CC(C)(C)[*:1] c1cc(C[NH2+][*:1])ncc1OCC[NH+]1CCCCC1
CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CC(C)[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1ccc2[nH]c(nc2c1)C(F)F
CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CC(C)[C@@H](O)C[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)C(=O)N[*:1]
CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
O=[N+]([O-])c1cc(F)ccc1NCc1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] O=[N+]([O-])c1cc(F)ccc1NCc1ccc(cc1)O[*:1]
O=[N+]([O-])c1cc(F)ccc1NCc1ccc(OCc2cccnc2)cc1 c1cncc(c1)CO[*:1] O=[N+]([O-])c1cc(F)ccc1NCc1ccc(cc1)[*:1]
O=[N+]([O-])c1cc(F)ccc1NCc1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] O=[N+]([O-])c1cc(F)ccc1NCc1ccc(cc1)OC[*:1]
O=[N+]([O-])c1cc(F)ccc1NCc1ccc(OCc2cccnc2)cc1 O=[N+]([O-])[*:1] Fc1ccc(NCc2ccc(cc2)OCc2cccnc2)c(c1)[*:1]
CCC(C)(C)NC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCC(C)(C)NC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(cc1)[*:1]
CCC(C)(C)NC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 CCC(C)(C)NC(=O)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2[C@@H]1C[*:1]
CCC(C)(C)NC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] CCC(C)(C)NC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)[*:1]
CCC(C)(C)NC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 CCC(C)(C)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[*:1]
CCC(C)(C)NC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 CCC(C)(C)NC(=O)C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2[C@@H]1[*:1]
O=C(c1ccc(NC2CC2)nc1)N(CC1CCCCC1)C1CC1 C1CC1[*:1] O=C(c1ccc(nc1)NC1CC1)N(CC1CCCCC1)[*:1]
O=C(c1ccc(NC2CC2)nc1)N(CC1CCCCC1)C1CC1 C1CC1[*:1] O=C(c1ccc(nc1)N[*:1])N(CC1CCCCC1)C1CC1
O=C(c1ccc(NC2CC2)nc1)N(CC1CCCCC1)C1CC1 C1CCC(CC1)C[*:1] O=C(c1ccc(nc1)NC1CC1)N(C1CC1)[*:1]
O=C(c1ccc(NC2CC2)nc1)N(CC1CCCCC1)C1CC1 C1CCC(CC1)[*:1] O=C(c1ccc(nc1)NC1CC1)N(C[*:1])C1CC1
O=C(c1ccc(NC2CC2)nc1)N(CC1CCCCC1)C1CC1 C1CC1N[*:1] O=C(c1ccc(nc1)[*:1])N(CC1CCCCC1)C1CC1
CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)c1 CN(C)S(=O)(=O)[*:1] O=C(CNc1ccc(Cl)c(Cl)c1)Nc1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)c1 Clc1ccc(cc1Cl)[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)CN[*:1]
Cc1nc(CCC[NH2+]C(C)(C)C)sc1C CC(C)(C)[*:1] Cc1nc(CCC[NH2+][*:1])sc1C
C=CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 c1ccc(cc1)CC[*:1] C=CCN(C(=O)c1ccc(c(O)c1)[N+](=O)[O-])[*:1]
C=CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 O=[N+]([O-])[*:1] C=CCN(CCc1ccccc1)C(=O)c1ccc(c(O)c1)[*:1]
C=CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 c1ccc(cc1)C[*:1] C=CCN(C[*:1])C(=O)c1ccc(c(O)c1)[N+](=O)[O-]
C=CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 c1ccc(cc1)[*:1] C=CCN(CC[*:1])C(=O)c1ccc(c(O)c1)[N+](=O)[O-]
C=CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 C=CC[*:1] O=C(c1ccc(c(O)c1)[N+](=O)[O-])N(CCc1ccccc1)[*:1]
CC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 Cc1cnn(c1)[*:1] CC[C@@H](C)[NH2+][C@H](C)c1ccc(c(F)c1)[*:1]
CC[C@H](CO)NC(=O)NCC1(c2ccc(F)cc2)CCOCC1 CC[C@H](CO)[*:1] O=C(NCC1(CCOCC1)c1ccc(F)cc1)N[*:1]
CC[C@H](CO)NC(=O)NCC1(c2ccc(F)cc2)CCOCC1 Fc1ccc(cc1)[*:1] CC[C@H](CO)NC(=O)NCC1(CCOCC1)[*:1]
CCC[C@@H](C)CC(=O)c1c(F)cccc1F CCC[C@@H](C)[*:1] O=C(C[*:1])c1c(F)cccc1F
CCC[C@@H](C)CC(=O)c1c(F)cccc1F CCC[*:1] C[C@@H](CC(=O)c1c(F)cccc1F)[*:1]
Cc1cccc(NC(=O)NCCS(C)(=O)=O)c1Cl CS(=O)(=O)CC[*:1] Cc1cccc(NC(=O)N[*:1])c1Cl
Cc1cccc(NC(=O)NCCS(C)(=O)=O)c1Cl CS(=O)(=O)[*:1] Cc1cccc(NC(=O)NCC[*:1])c1Cl
Cc1cccc(NC(=O)NCCS(C)(=O)=O)c1Cl CS(=O)(=O)C[*:1] Cc1cccc(NC(=O)NC[*:1])c1Cl
CCOC(=O)[C@@H]1CCCN(Cc2cc(Br)c(OC)s2)C1 CCOC(=O)[*:1] COc1sc(cc1Br)CN1CCC[C@H](C1)[*:1]
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1ccco1 FC(F)(F)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@@H]1c1ccco1
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCC[C@H]1[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)[C@@H]2CCCN2C(N)=O)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)O[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(cs1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1csc(n1)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
CN(CCc1ccncc1)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] CN(CCc1ccncc1)C(=O)c1nc(n2ccccc12)[*:1]
CN(CCc1ccncc1)C(=O)c1nc(C2CC2)n2ccccc12 c1cc(ccn1)CC[*:1] CN(C(=O)c1nc(C2CC2)n2ccccc12)[*:1]
CN(CCc1ccncc1)C(=O)c1nc(C2CC2)n2ccccc12 c1cc(ccn1)C[*:1] CN(C[*:1])C(=O)c1nc(C2CC2)n2ccccc12
CN(CCc1ccncc1)C(=O)c1nc(C2CC2)n2ccccc12 c1cc(ccn1)[*:1] CN(CC[*:1])C(=O)c1nc(C2CC2)n2ccccc12
COc1cc([C@H](C)[NH2+]Cc2cc(C#N)n(C)c2C)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1C
COc1cc([C@H](C)[NH2+]Cc2cc(C#N)n(C)c2C)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1C
CC(C)N(CCS(C)(=O)=O)Cc1cc(Br)ccc1[N+](=O)[O-] CC(C)[*:1] CS(=O)(=O)CCN(Cc1cc(Br)ccc1[N+](=O)[O-])[*:1]
CC(C)N(CCS(C)(=O)=O)Cc1cc(Br)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)N(CCS(C)(=O)=O)Cc1cc(Br)ccc1[*:1]
CC(C)N(CCS(C)(=O)=O)Cc1cc(Br)ccc1[N+](=O)[O-] CS(=O)(=O)CC[*:1] CC(C)N(Cc1cc(Br)ccc1[N+](=O)[O-])[*:1]
CC(C)N(CCS(C)(=O)=O)Cc1cc(Br)ccc1[N+](=O)[O-] CS(=O)(=O)C[*:1] CC(C)N(Cc1cc(Br)ccc1[N+](=O)[O-])C[*:1]
CC(C)N(CCS(C)(=O)=O)Cc1cc(Br)ccc1[N+](=O)[O-] CS(=O)(=O)[*:1] CC(C)N(CC[*:1])Cc1cc(Br)ccc1[N+](=O)[O-]
CCc1ccc(C(=O)Nc2c(C)nn(CCOC)c2C)o1 COCC[*:1] CCc1ccc(o1)C(=O)Nc1c(C)nn(c1C)[*:1]
CCc1ccc(C(=O)Nc2c(C)nn(CCOC)c2C)o1 CCc1ccc(o1)[*:1] COCCn1nc(C)c(NC(=O)[*:1])c1C
CCc1ccc(C(=O)Nc2c(C)nn(CCOC)c2C)o1 COC[*:1] CCc1ccc(o1)C(=O)Nc1c(C)nn(C[*:1])c1C
Cc1c(C(=O)NCc2ccccc2)cn2nc[nH]c(=O)c12 c1ccc(cc1)[*:1] Cc1c(cn2nc[nH]c(=O)c12)C(=O)NC[*:1]
Cc1c(C(=O)NCc2ccccc2)cn2nc[nH]c(=O)c12 c1ccc(cc1)C[*:1] Cc1c(cn2nc[nH]c(=O)c12)C(=O)N[*:1]
COC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)CCOc1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)CCO[*:1]
COC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)CCOc1ccccc1 COC(=O)[*:1] C[C@@H](CCOc1ccccc1)C(=O)N1CCCC[C@@H]1[*:1]
COC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)CCOc1ccccc1 c1ccc(cc1)O[*:1] COC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)CC[*:1]
COc1ccc(-c2nn3c(SCC(=O)c4ccc(Cl)cc4)nnc3nc2[O-])cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc2nc([O-])c(nn12)[*:1])c1ccc(Cl)cc1
COc1ccc(-c2nn3c(SCC(=O)c4ccc(Cl)cc4)nnc3nc2[O-])cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn2c(nnc2nc1[O-])SCC(=O)[*:1]
COc1ccc(-c2nn3c(SCC(=O)c4ccc(Cl)cc4)nnc3nc2[O-])cc1 O=C(c1ccc(Cl)cc1)[*:1] COc1ccc(cc1)-c1nn2c(nnc2nc1[O-])SC[*:1]
CCn1nc(C)c(CNC(=O)Nc2ccc(OC(C)C)cc2C)c1C CC(C)[*:1] CCn1nc(C)c(CNC(=O)Nc2ccc(cc2C)O[*:1])c1C
CCn1nc(C)c(CNC(=O)Nc2ccc(OC(C)C)cc2C)c1C CC(C)O[*:1] CCn1nc(C)c(CNC(=O)Nc2ccc(cc2C)[*:1])c1C
CC(C)[C@H](NC(=O)/C=C/c1ccc(F)cc1)C(=O)N1CCCC1 Fc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C=C[*:1])C(=O)N1CCCC1
CC(C)[C@H](NC(=O)/C=C/c1ccc(F)cc1)C(=O)N1CCCC1 CC(C)[*:1] O=C(/C=C/c1ccc(F)cc1)N[C@H](C(=O)N1CCCC1)[*:1]
CC(C)[C@H](NC(=O)/C=C/c1ccc(F)cc1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](NC(=O)/C=C/c1ccc(F)cc1)[*:1]
NC(=O)NCc1ccc(NC(=O)/C=C/c2cc(Br)ccc2F)cc1 NC(=O)NC[*:1] O=C(/C=C/c1cc(Br)ccc1F)Nc1ccc(cc1)[*:1]
NC(=O)NCc1ccc(NC(=O)/C=C/c2cc(Br)ccc2F)cc1 Fc1ccc(Br)cc1[*:1] NC(=O)NCc1ccc(cc1)NC(=O)C=C[*:1]
NC(=O)NCc1ccc(NC(=O)/C=C/c2cc(Br)ccc2F)cc1 NC(=O)N[*:1] O=C(/C=C/c1cc(Br)ccc1F)Nc1ccc(cc1)C[*:1]
CC[C@@H](Cc1ccc(C)cc1)Nc1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 Cc1ccc(cc1)C[*:1] CC[C@@H](Nc1cc[nH+]c(c1)CN1CCN(CC1)C(C)=O)[*:1]
CC[C@@H](Cc1ccc(C)cc1)Nc1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 Cc1ccc(cc1)[*:1] CC[C@@H](C[*:1])Nc1cc[nH+]c(c1)CN1CCN(CC1)C(C)=O
CC[C@@H](Cc1ccc(C)cc1)Nc1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 CC(=O)N1CCN(CC1)[*:1] CC[C@@H](Cc1ccc(C)cc1)Nc1cc[nH+]c(c1)C[*:1]
C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C[C@@H](C)O1 C1CCC(C1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC[C@H](C)Oc1ccc(NC(=O)C(=O)Nc2ccccc2)cc1 CC[C@H](C)O[*:1] O=C(Nc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
C=C(CC)CC(=O)c1cccc(C(F)(F)F)c1F C=C(CC)[*:1] O=C(C[*:1])c1cccc(c1F)C(F)(F)F
C=C(CC)CC(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] C=C(CC)CC(=O)c1cccc(c1F)[*:1]
C=C(CC)CC(=O)c1cccc(C(F)(F)F)c1F C=C(CC)C[*:1] O=C(c1cccc(c1F)C(F)(F)F)[*:1]
CC(C)(C)C(=O)Nc1ncc(F)c(C#N)c1I CC(C)(C)[*:1] N#Cc1c(F)cnc(NC(=O)[*:1])c1I
CCS[C@@H]1CC[C@H](NC(=O)N2CCCN(c3ncccc3C#N)CC2)C1 N#Cc1cccnc1[*:1] CCS[C@@H]1CC[C@@H](C1)NC(=O)N1CCCN(CC1)[*:1]
CCS[C@@H]1CC[C@H](NC(=O)N2CCCN(c3ncccc3C#N)CC2)C1 CCS[*:1] N#Cc1cccnc1N1CCCN(CC1)C(=O)N[C@H]1CC[C@H](C1)[*:1]
CC(C)N(C(=O)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C)C1CCCCC1 CC(C)[*:1] C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CC(=O)N(C1CCCCC1)[*:1])C2=O
CC(C)N(C(=O)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C)C1CCCCC1 C1CCC(CC1)[*:1] CC(C)N(C(=O)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C)[*:1]
COc1ccccc1-n1c(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c2c(C)cc(C)nc21 COc1ccccc1[*:1] Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc4OCCOc4c3)c(=O)n(c2n1)[*:1]
COc1ccccc1-n1c(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c2c(C)cc(C)nc21 c1cc2OCCOc2cc1[*:1] COc1ccccc1-n1c(=O)n(CC(=O)N[*:1])c(=O)c2c(C)cc(C)nc21
CCCC[C@H]1C=CCN1C(=O)c1n[nH]c(=O)c2ccccc12 CCCC[*:1] O=C(c1n[nH]c(=O)c2ccccc12)N1CC=C[C@@H]1[*:1]
CCCC[C@H]1C=CCN1C(=O)c1n[nH]c(=O)c2ccccc12 CCC[*:1] O=C(c1n[nH]c(=O)c2ccccc12)N1CC=C[C@@H]1C[*:1]
O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCC(F)(F)F FC(F)(F)[*:1] O=C(Cc1csc(n1)-c1ccc(cc1)C(F)(F)F)NC[*:1]
O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] FC(F)(F)c1ccc(cc1)-c1nc(cs1)C[*:1]
O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCC(F)(F)F FC(F)(F)[*:1] O=C(Cc1csc(n1)-c1ccc(cc1)[*:1])NCC(F)(F)F
O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(Cc1csc(n1)-c1ccc(cc1)C(F)(F)F)N[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc([C@H]3CCCN3C(=O)c3ccccc3C)n2C)c1 Cc1ccc(C)c(c1)NC(=O)[*:1] Cc1ccccc1C(=O)N1CCC[C@@H]1c1nnc(SC[*:1])n1C
Cc1ccc(C)c(NC(=O)CSc2nnc([C@H]3CCCN3C(=O)c3ccccc3C)n2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccccc1C(=O)N1CCC[C@@H]1c1nnc(SCC(=O)N[*:1])n1C
Cc1ccc(C)c(NC(=O)CSc2nnc([C@H]3CCCN3C(=O)c3ccccc3C)n2C)c1 Cc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc([C@H]2CCCN2C(=O)[*:1])n1C
CC[C@H](C(=O)OCC(=O)Nc1ccc(I)cc1C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)OCC(=O)Nc1ccc(I)cc1C)[*:1]
CC[C@H](C(=O)OCC(=O)Nc1ccc(I)cc1C)c1ccccc1 Cc1cc(I)ccc1[*:1] CC[C@H](C(=O)OCC(=O)N[*:1])c1ccccc1
C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N(C)[*:1])S(=O)(=O)c1nc2ccccc2[nH]1
CCOC(=O)N1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 CC(C)C[*:1] CCOC(=O)N1CCN(CC1)C(=O)N[C@@H](C[NH+](C)C)[*:1]
CCOC(=O)N1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 CC(C)[*:1] CCOC(=O)N1CCN(CC1)C(=O)N[C@H](C[NH+](C)C)C[*:1]
CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3n2-c2ccc(C)cc2)s1 Cc1ccc(cc1)[*:1] CC(=O)NCc1ccc(s1)C(=O)CSc1nc2ccccc2n1[*:1]
CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3n2-c2ccc(C)cc2)s1 CC(=O)NCc1ccc(s1)[*:1] Cc1ccc(cc1)-n1c(nc2ccccc21)SCC(=O)[*:1]
CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3n2-c2ccc(C)cc2)s1 CC(=O)N[*:1] Cc1ccc(cc1)-n1c(nc2ccccc21)SCC(=O)c1ccc(C[*:1])s1
CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3n2-c2ccc(C)cc2)s1 CC(=O)NC[*:1] Cc1ccc(cc1)-n1c(nc2ccccc21)SCC(=O)c1ccc(s1)[*:1]
CC[NH2+][C@H](c1cc(C)ccc1OC)C(OC)OC COC(OC)[*:1] CC[NH2+][C@H](c1cc(C)ccc1OC)[*:1]
O=C1CNC(=S)N1c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C1CNC(=S)N1c1ccc(cc1)O[*:1]
O=C1CNC(=S)N1c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C1CNC(=S)N1c1ccc(cc1)[*:1]
COc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc(O)c2)c1 COc1cccc(c1)[*:1] Cc1cc2oc3C(=O)N([C@@H](c4cccc(O)c4)c3c(=O)c2cc1C)[*:1]
COc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc(O)c2)c1 Oc1cccc(c1)[*:1] COc1cccc(c1)N1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1[*:1]
N=C1S[C@H](c2ccc(F)cc2)CC(=O)N1c1ccccc1 Fc1ccc(cc1)[*:1] N=C1S[C@H](CC(=O)N1c1ccccc1)[*:1]
N=C1S[C@H](c2ccc(F)cc2)CC(=O)N1c1ccccc1 c1ccc(cc1)[*:1] N=C1S[C@@H](CC(=O)N1[*:1])c1ccc(F)cc1
[NH3+]C1CCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] [NH3+]C1CCN(CC1)c1nc2ccsc2c(=O)n1[*:1]
[NH3+]C1CCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] [NH3+]C1CCN(CC1)c1nc2ccsc2c(=O)n1C[*:1]
C[C@H](NC(=O)CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 O=[N+]([O-])[*:1] C[C@H](NC(=O)CCOc1ccc(cc1)[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)CCOc1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)C[C@H]1CCCCCN1C(=O)c1cnc2nc([O-])[nH]c(=O)c2c1 CC(C)[*:1] O=C(c1cnc2nc([O-])[nH]c(=O)c2c1)N1CCCCC[C@@H]1C[*:1]
CC(C)C[C@H]1CCCCCN1C(=O)c1cnc2nc([O-])[nH]c(=O)c2c1 CC(C)C[*:1] O=C(c1cnc2nc([O-])[nH]c(=O)c2c1)N1CCCCC[C@@H]1[*:1]
N#Cc1cc2c(nc1NC(=O)[C@H]1C[C@H]1c1ccco1)CCC2 c1coc(c1)[*:1] N#Cc1cc2CCCc2nc1NC(=O)[C@H]1C[C@@H]1[*:1]
Cc1ccc2c(c1)CCN2C(=O)NCc1[nH+]ccn1CCCc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccc2c(c1)CCN2C(=O)NCc1[nH+]ccn1CC[*:1]
Cc1ccc2c(c1)CCN2C(=O)NCc1[nH+]ccn1CCCc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc2c(c1)CCN2C(=O)NCc1[nH+]ccn1CCC[*:1]
Cc1ccc2c(c1)CCN2C(=O)NCc1[nH+]ccn1CCCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1ccc2c(c1)CCN2C(=O)NCc1[nH+]ccn1C[*:1]
Cc1ccc2c(c1)CCN2C(=O)NCc1[nH+]ccn1CCCc1ccccc1 c1ccc(cc1)CCC[*:1] Cc1ccc2c(c1)CCN2C(=O)NCc1[nH+]ccn1[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@@H](C)OC(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C#N)cc2)cc1 CC(=O)N[*:1] C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(cc1)[*:1]
O=C(Cc1ccc2ccccc2c1)N1CCCC[C@@H]1C1OCCO1 C1COC(O1)[*:1] O=C(Cc1ccc2ccccc2c1)N1CCCC[C@H]1[*:1]
CCc1ccc(Cl)c(CC)c1NC(=O)NC[C@@H](C)C#N C[C@@H](C#N)C[*:1] CCc1ccc(Cl)c(CC)c1NC(=O)N[*:1]
CCc1ccc(Cl)c(CC)c1NC(=O)NC[C@@H](C)C#N C[C@@H](C#N)[*:1] CCc1ccc(Cl)c(CC)c1NC(=O)NC[*:1]
Cn1ccnc1[C@@H](NC(=O)c1cc(F)ccc1Br)c1ccc(Cl)cc1 Cn1ccnc1[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)[*:1])c1cc(F)ccc1Br
Cn1ccnc1[C@@H](NC(=O)c1cc(F)ccc1Br)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)c1cc(F)ccc1Br)[*:1]
Cn1ccnc1[C@@H](NC(=O)c1cc(F)ccc1Br)c1ccc(Cl)cc1 Fc1ccc(Br)c(c1)[*:1] Cn1ccnc1[C@@H](NC(=O)[*:1])c1ccc(Cl)cc1
Cc1cc(N)c(C)c(S(=O)(=O)NCCC2CCCCC2)c1 C1CCC(CC1)C[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)NC[*:1]
Cc1cc(N)c(C)c(S(=O)(=O)NCCC2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)NCC[*:1]
CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)oc(=O)n2C CC(C)[*:1] C[C@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)Nc1ccccc1[*:1]
Cc1cc([C@@H](C)NC(=O)c2ccc(N3CCOC3=O)cc2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)N1CCOC1=O)[*:1]
Cc1cc([C@@H](C)NC(=O)c2ccc(N3CCOC3=O)cc2)c(C)s1 O=C1OCCN1[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(-n2cc(-c3cn(Cc4ccoc4)nn3)cn2)cc1C Cc1ccc(cc1C)[*:1] c1cc(co1)Cn1cc(nn1)-c1cnn(c1)[*:1]
Cc1ccc(-n2cc(-c3cn(Cc4ccoc4)nn3)cn2)cc1C c1cc(co1)[*:1] Cc1ccc(cc1C)-n1cc(cn1)-c1cn(C[*:1])nn1
Cc1ccc(-n2cc(-c3cn(Cc4ccoc4)nn3)cn2)cc1C c1cc(co1)C[*:1] Cc1ccc(cc1C)-n1cc(cn1)-c1cn(nn1)[*:1]
CCCN(CC1CCCCC1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 CCC[*:1] N#Cc1cnn(-c2ccc(cc2)C(=O)N(CC2CCCCC2)[*:1])c1N
CCCN(CC1CCCCC1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 C1CCC(CC1)[*:1] CCCN(C[*:1])C(=O)c1ccc(cc1)-n1ncc(C#N)c1N
CCCN(CC1CCCCC1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 C1CCC(CC1)C[*:1] CCCN(C(=O)c1ccc(cc1)-n1ncc(C#N)c1N)[*:1]
CCCN(CC1CCCCC1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 N#Cc1cnn(c1N)[*:1] CCCN(CC1CCCCC1)C(=O)c1ccc(cc1)[*:1]
COCCNc1nc(NCc2ccccn2)nc2nccnc12 COCCN[*:1] c1ccc(CNc2nc(c3nccnc3n2)[*:1])nc1
COCCNc1nc(NCc2ccccn2)nc2nccnc12 c1ccc(nc1)[*:1] COCCNc1nc(nc2nccnc12)NC[*:1]
COCCNc1nc(NCc2ccccn2)nc2nccnc12 COC[*:1] c1ccc(CNc2nc(NC[*:1])c3nccnc3n2)nc1
COCCNc1nc(NCc2ccccn2)nc2nccnc12 COCC[*:1] c1ccc(CNc2nc(N[*:1])c3nccnc3n2)nc1
COCCNc1nc(NCc2ccccn2)nc2nccnc12 c1ccc(C[*:1])nc1 COCCNc1nc(nc2nccnc12)N[*:1]
CCCc1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)[nH]n1 CCC[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCN(CC1)[C@H]1CCC[C@@H]1O
Cc1cc(NC(=O)NCc2ccc(Cl)cc2)n(Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(NC(=O)NCc2ccc(Cl)cc2)n(C[*:1])n1
Cc1cc(NC(=O)NCc2ccc(Cl)cc2)n(Cc2ccccn2)n1 Clc1ccc(cc1)C[*:1] Cc1cc(NC(=O)N[*:1])n(Cc2ccccn2)n1
Cc1cc(NC(=O)NCc2ccc(Cl)cc2)n(Cc2ccccn2)n1 Clc1ccc(cc1)[*:1] Cc1cc(NC(=O)NC[*:1])n(Cc2ccccn2)n1
Cc1cc(NC(=O)NCc2ccc(Cl)cc2)n(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc(NC(=O)NCc2ccc(Cl)cc2)n(n1)[*:1]
CC[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CC[C@@H](C)[NH2+]Cc1nc(cs1)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(Cl)c2)n2ncnc2N1 Clc1cccc(c1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)Nc1ccc(C)cc1)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(Cl)c2)n2ncnc2N1 Cc1ccc(cc1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)N[*:1])c1cccc(Cl)c1
CCOC(=O)[C@@]12C(=C(c3ccccc3)O[C@@H]3[C@H]1[C@@H]1C=C[C@H]3C1)C(=O)C(=O)N2c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@]12C(C(=O)C(=O)N1c1ccccc1)=C(O[C@@H]1[C@H]2[C@@H]2C=C[C@H]1C2)[*:1]
CCOC(=O)[C@@]12C(=C(c3ccccc3)O[C@@H]3[C@H]1[C@@H]1C=C[C@H]3C1)C(=O)C(=O)N2c1ccccc1 CCOC(=O)[*:1] O=C1C(=O)N(c2ccccc2)[C@]2(C1=C(O[C@@H]1[C@H]2[C@@H]2C=C[C@H]1C2)c1ccccc1)[*:1]
CCOC(=O)[C@@]12C(=C(c3ccccc3)O[C@@H]3[C@H]1[C@@H]1C=C[C@H]3C1)C(=O)C(=O)N2c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@]12C(C(=O)C(=O)N1[*:1])=C(O[C@@H]1[C@H]2[C@@H]2C=C[C@H]1C2)c1ccccc1
COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)C(=O)NNC(=O)[C@@H](C)O[*:1]
COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 COc1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[*:1]
COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 Fc1ccccc1O[*:1] COc1ccc(cc1)C(=O)NNC(=O)[C@@H](C)[*:1]
COCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] Cc1cc(F)ccc1[*:1] COCc1ccccc1NC(=O)c1nn(cc1[O-])[*:1]
COCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] COC[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)Nc1ccccc1[*:1]
COc1cc(CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc(OC)c1O CC(C)=C[*:1] COc1cc(cc(OC)c1O)CNC(=O)[C@H]1[C@@H](C1(C)C)[*:1]
CC(C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 CC(C)NC(=O)N[*:1] O=S(=O)(/N=C1/CCCCCN1)c1cccc(c1)[*:1]
CC(C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)/N=C1/CCCCCN1)N[*:1]
CCC(=O)c1cc2c(cc1NC(C)=O)OCCO2 CC(=O)N[*:1] CCC(=O)c1cc2OCCOc2cc1[*:1]
CCC(=O)c1cc2c(cc1NC(C)=O)OCCO2 CCC(=O)[*:1] CC(=O)Nc1cc2OCCOc2cc1[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(C(=O)Nc2cccs2)CC1 O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)C1CCN(CC1)C(=O)Nc1cccs1)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(C(=O)Nc2cccs2)CC1 c1csc(c1)[*:1] COc1cc(ccc1NC(=O)C1CCN(CC1)C(=O)N[*:1])[N+](=O)[O-]
O=C(NC[C@H]1C[C@@]12CCc1ccccc12)N[C@@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)N[C@@H](CO)[*:1]
C[C@@H](C(=O)N1CCN(c2cc(Cl)ncn2)CC1)[NH+]1CCCCCC1 Clc1cc(ncn1)[*:1] C[C@@H](C(=O)N1CCN(CC1)[*:1])[NH+]1CCCCCC1
C[C@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1nccs1 c1csc(n1)[*:1] C[C@H]([NH2+]CCCC(=O)N1CCc2ccccc21)[*:1]
C[C@@H]1CSc2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2NC1=O FC(F)(F)c1cccc(c1)[*:1] C[C@@H]1CSc2ccc(cc2NC1=O)S(=O)(=O)N1CCN(CC1)[*:1]
C[C@@H]1CSc2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2NC1=O FC(F)(F)[*:1] C[C@@H]1CSc2ccc(cc2NC1=O)S(=O)(=O)N1CCN(CC1)c1cccc(c1)[*:1]
CCC(C)(C)c1ccc(OCn2cc(Cl)c(C(=O)NN)n2)cc1 NNC(=O)[*:1] CCC(C)(C)c1ccc(cc1)OCn1cc(Cl)c(n1)[*:1]
CCC(C)(C)c1ccc(OCn2cc(Cl)c(C(=O)NN)n2)cc1 CCC(C)(C)[*:1] NNC(=O)c1nn(cc1Cl)COc1ccc(cc1)[*:1]
CCSc1cncc(N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)n1 CCS[*:1] N#Cc1ccc(cc1)CN1CCN(CC1=O)c1cncc(n1)[*:1]
CCSc1cncc(N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)n1 N#Cc1ccc(cc1)[*:1] CCSc1cncc(n1)N1CCN(C[*:1])C(=O)C1
Cc1ccn2c(=O)c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)cnc2c1 FC(F)(F)[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)Nc1ccc(F)c(c1)[*:1]
COCC(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 FC(F)(F)[*:1] COCC(=O)N1CCC[C@@H]1c1cc2N[C@@H](C[C@H](n2n1)[*:1])C(C)C
COCC(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 CC(C)[*:1] COCC(=O)N1CCC[C@@H]1c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
COCC(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 COC[*:1] CC(C)[C@@H]1C[C@@H](n2nc(cc2N1)[C@H]1CCCN1C(=O)[*:1])C(F)(F)F
C[C@@]1(C(=O)NCc2csc(-c3ccccc3)n2)CC1(Cl)Cl c1ccc(cc1)[*:1] C[C@]1(CC1(Cl)Cl)C(=O)NCc1csc(n1)[*:1]
Cn1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cn1 Fc1ccc(cc1)[*:1] Cn1cc(cn1)NC(=O)c1ccc(o1)[*:1]
Cn1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])c1ccc(o1)-c1ccc(F)cc1
CN(C[C@H](O)C(F)(F)F)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 FC(F)(F)[*:1] CN(C[C@H](O)[*:1])C(=O)Nc1ccccc1N1CC[NH+](C)CC1
C=CCn1c(Sc2ncc(Br)cn2)nnc1-c1ccccc1 Brc1cnc(nc1)[*:1] C=CCn1c(nnc1-c1ccccc1)S[*:1]
C=CCn1c(Sc2ncc(Br)cn2)nnc1-c1ccccc1 C=CC[*:1] Brc1cnc(nc1)Sc1nnc(-c2ccccc2)n1[*:1]
C=CCn1c(Sc2ncc(Br)cn2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])Sc1ncc(Br)cn1
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ncc(Cl)c(Cl)c2Cl)C1 O=C([O-])[*:1] CO[C@@H]1C[C@H](N(C1)C(=O)c1ncc(Cl)c(Cl)c1Cl)[*:1]
Cc1ccc(CC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1 C1CC1[*:1] Cc1ccc(cc1)CC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccc(CC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)CC(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(CC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CC1)[C@@H]1CCCN(C1)C(=O)C[*:1]
C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)CSc1ccccc1Cl Clc1ccccc1S[*:1] C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)C[*:1]
C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)CSc1ccccc1Cl NC(=O)[*:1] C[C@@H]1C[C@H](c2ccccc2N1C(=O)CSc1ccccc1Cl)[*:1]
C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)CSc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)CS[*:1]
COCc1ccc(CNC(=O)Nc2cc(F)ccc2OC)cc1 COC[*:1] COc1ccc(F)cc1NC(=O)NCc1ccc(cc1)[*:1]
CC(=O)C1(c2ccccc2)CC[NH+](CC(=O)N2CCOCC2)CC1 CC(=O)[*:1] O=C(C[NH+]1CCC(CC1)(c1ccccc1)[*:1])N1CCOCC1
CC(=O)C1(c2ccccc2)CC[NH+](CC(=O)N2CCOCC2)CC1 c1ccc(cc1)[*:1] CC(=O)C1(CC[NH+](CC1)CC(=O)N1CCOCC1)[*:1]
CC(=O)C1(c2ccccc2)CC[NH+](CC(=O)N2CCOCC2)CC1 O=C(N1CCOCC1)[*:1] CC(=O)C1(CC[NH+](CC1)C[*:1])c1ccccc1
Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)c1cc(ccc1Br)S(=O)(=O)N1CCCC1
Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)o1 Cc1ccc(C[*:1])o1 CN(C(=O)c1cc(ccc1Br)S(=O)(=O)N1CCCC1)[*:1]
Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)o1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(CN(C)C(=O)c2cc(ccc2Br)[*:1])o1
CCC[C@H]1C[C@H]1NC(=O)Cc1csc(-c2cnccn2)n1 CCC[*:1] O=C(Cc1csc(n1)-c1cnccn1)N[C@@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@H]1NC(=O)Cc1csc(-c2cnccn2)n1 c1cnc(cn1)[*:1] CCC[C@H]1C[C@H]1NC(=O)Cc1csc(n1)[*:1]
Cc1ccc(NC(=O)c2cccc(C#CCO)c2)c(C)n1 OCC#C[*:1] Cc1ccc(NC(=O)c2cccc(c2)[*:1])c(C)n1
CSc1ccc(NC(=O)C(=O)N[C@H]2CCc3cc(Cl)ccc32)cn1 CSc1ccc(cn1)[*:1] O=C(N[C@H]1CCc2cc(Cl)ccc21)C(=O)N[*:1]
Cc1ccc([C@H](C)NC(=O)N(CC(C)C)C2CC2)o1 Cc1ccc(o1)[*:1] CC(C)CN(C(=O)N[C@@H](C)[*:1])C1CC1
Cc1ccc([C@H](C)NC(=O)N(CC(C)C)C2CC2)o1 CC(C)C[*:1] Cc1ccc(o1)[C@H](C)NC(=O)N(C1CC1)[*:1]
Cc1ccc([C@H](C)NC(=O)N(CC(C)C)C2CC2)o1 CC(C)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)N(C[*:1])C1CC1
Cc1ccc([C@H](C)NC(=O)N(CC(C)C)C2CC2)o1 C1CC1[*:1] Cc1ccc(o1)[C@H](C)NC(=O)N(CC(C)C)[*:1]
CSC[C@@H](C)N(C)C(=O)NCc1ccc(CN2CCCC2=O)cc1 CSC[*:1] C[C@@H](N(C)C(=O)NCc1ccc(cc1)CN1CCCC1=O)[*:1]
CSC[C@@H](C)N(C)C(=O)NCc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] CSC[C@@H](C)N(C)C(=O)NCc1ccc(cc1)C[*:1]
CSC[C@@H](C)N(C)C(=O)NCc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] CSC[C@@H](C)N(C)C(=O)NCc1ccc(cc1)[*:1]
C[C@@H]1CCC[C@@H](OCC(=O)NCC(=O)OC2CCCCC2)C1 C1CCC(CC1)[*:1] C[C@@H]1CCC[C@H](C1)OCC(=O)NCC(=O)O[*:1]
CC[C@@](C)(NC(=O)NCCc1nc(C)cs1)C(=O)[O-] Cc1csc(n1)[*:1] CC[C@@](C)(NC(=O)NCC[*:1])C(=O)[O-]
CC[C@@](C)(NC(=O)NCCc1nc(C)cs1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)NCCc1nc(C)cs1)[*:1]
C[C@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@H]1CNC(=O)OC(C)(C)C c1cnc2nc(cn2c1)[*:1] C[C@H]1CCCN(C(=O)[*:1])[C@H]1CNC(=O)OC(C)(C)C
C[C@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@H]1CNC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@H]1CNC(=O)O[*:1]
C[C@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@H]1CNC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] C[C@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@H]1C[*:1]
C[C@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@H]1CNC(=O)OC(C)(C)C CC(C)(C)OC(=O)NC[*:1] C[C@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@@H]1[*:1]
C[C@@H](O)CCC(=O)NCCN(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](O)CCC(=O)NCCN(C)[*:1]
C[C@@H](O)CCC(=O)NCCN(C)c1ccccc1 C[C@@H](O)[*:1] CN(CCNC(=O)CC[*:1])c1ccccc1
C[C@@H](O)CCC(=O)NCCN(C)c1ccccc1 C[C@@H](O)CC[*:1] CN(CCNC(=O)[*:1])c1ccccc1
C[C@@H](O)CCC(=O)NCCN(C)c1ccccc1 C[C@@H](O)C[*:1] CN(CCNC(=O)C[*:1])c1ccccc1
COCCC(=O)N1C[C@@H](C)C[C@H]([NH3+])C1 COC[*:1] C[C@H]1C[C@H]([NH3+])CN(C1)C(=O)C[*:1]
COCCC(=O)N1C[C@@H](C)C[C@H]([NH3+])C1 COCC[*:1] C[C@H]1C[C@H]([NH3+])CN(C1)C(=O)[*:1]
C[C@@]1(NNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCS(=O)(=O)C1 FC(F)(F)[*:1] C[C@]1(CCS(=O)(=O)C1)NNC(=O)N[C@@H](C[*:1])c1ccc(F)cc1
C[C@@]1(NNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCS(=O)(=O)C1 FC(F)(F)C[*:1] C[C@]1(CCS(=O)(=O)C1)NNC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
C[C@@]1(NNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] C[C@]1(CCS(=O)(=O)C1)NNC(=O)N[C@@H](CC(F)(F)F)[*:1]
Cc1cccnc1CSc1nnc(C2CCCCC2)o1 C1CCC(CC1)[*:1] Cc1cccnc1CSc1nnc(o1)[*:1]
CCn1c(C)nc2cc(C(=O)NNC(=O)/C=C/c3c(C)nn(CC(C)C)c3Cl)ccc21 CC(C)[*:1] CCn1c(C)nc2cc(ccc21)C(=O)NNC(=O)/C=C/c1c(C)nn(C[*:1])c1Cl
CCn1c(C)nc2cc(C(=O)NNC(=O)/C=C/c3c(C)nn(CC(C)C)c3Cl)ccc21 CC(C)C[*:1] CCn1c(C)nc2cc(ccc21)C(=O)NNC(=O)/C=C/c1c(C)nn(c1Cl)[*:1]
O=C(Nc1ccccc1C(=O)N/N=C\c1ccc(F)cc1)c1ccco1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)NN=C[*:1])c1ccco1
O=C(Nc1ccccc1C(=O)N/N=C\c1ccc(F)cc1)c1ccco1 c1coc(c1)[*:1] O=C(N/N=C\c1ccc(F)cc1)c1ccccc1NC(=O)[*:1]
O=C(Nc1ccccc1C(=O)N/N=C\c1ccc(F)cc1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(N/N=C\c1ccc(F)cc1)c1ccccc1[*:1]
O=C(COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccnc1Cl Clc1ccc(cc1Cl)[*:1] O=C(COC(=O)CNC(=O)[*:1])Nc1cccnc1Cl
O=C(COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)N[*:1]
CCOc1ccccc1C(=O)Nc1cccc(C(=O)OC)c1 COC(=O)[*:1] CCOc1ccccc1C(=O)Nc1cccc(c1)[*:1]
CCOc1ccccc1C(=O)Nc1cccc(C(=O)OC)c1 CCO[*:1] COC(=O)c1cccc(c1)NC(=O)c1ccccc1[*:1]
Cc1ccc(COc2cccc(C[NH2+]Cc3ccccc3)c2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)COc1cccc(c1)C[NH2+][*:1]
Cc1ccc(COc2cccc(C[NH2+]Cc3ccccc3)c2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)COc1cccc(c1)C[NH2+]C[*:1]
Cc1ccc(COc2cccc(C[NH2+]Cc3ccccc3)c2)cc1 Cc1ccc(cc1)[*:1] c1ccc(cc1)C[NH2+]Cc1cccc(c1)OC[*:1]
Cc1ccc(COc2cccc(C[NH2+]Cc3ccccc3)c2)cc1 Cc1ccc(cc1)C[*:1] c1ccc(cc1)C[NH2+]Cc1cccc(c1)O[*:1]
O=C(Nc1ccccc1N1CCCCC1)c1ccc(OC[C@H]2CCCO2)cc1 C1CCN(CC1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)OC[C@H]1CCCO1
CC(C)[C@H](C)S(=O)(=O)[C@H](C)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(C)[C@H](C)S(=O)(=O)[C@H](C)C(=O)NC[*:1]
CC(C)[C@H](C)S(=O)(=O)[C@H](C)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC(C)[C@H](C)S(=O)(=O)[C@H](C)C(=O)N[*:1]
CC(C)[C@H](C)S(=O)(=O)[C@H](C)C(=O)NC[C@@H]1CCCO1 CC(C)[C@H](C)[*:1] C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)[*:1]
CC(C)[C@H](C)S(=O)(=O)[C@H](C)C(=O)NC[C@@H]1CCCO1 CC(C)[*:1] C[C@H](S(=O)(=O)[C@H](C)C(=O)NC[C@@H]1CCCO1)[*:1]
CC(C)(CC(=O)[O-])Cc1nc([C@@]2(C)CCCO2)no1 C[C@]1(CCCO1)[*:1] CC(C)(CC(=O)[O-])Cc1nc(no1)[*:1]
CC(C)(CC(=O)[O-])Cc1nc([C@@]2(C)CCCO2)no1 O=C([O-])C[*:1] CC(C)(Cc1nc(no1)[C@@]1(C)CCCO1)[*:1]
CC(C)(CC(=O)[O-])Cc1nc([C@@]2(C)CCCO2)no1 O=C([O-])[*:1] CC(C)(Cc1nc(no1)[C@@]1(C)CCCO1)C[*:1]
O=C1COc2cc(C(=O)NCc3csc(C4CC4)n3)ccc2N1 C1CC1[*:1] O=C1COc2cc(ccc2N1)C(=O)NCc1csc(n1)[*:1]
O=C1CN(Cc2nc(Cc3ccccc3)no2)C(=O)N1 c1ccc(cc1)[*:1] O=C1CN(Cc2nc(C[*:1])no2)C(=O)N1
CC(C)Cn1nccc1NC(=O)[C@H]1CCO[C@@H]1C CC(C)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccnn1C[*:1]
CC(C)Cn1nccc1NC(=O)[C@H]1CCO[C@@H]1C CC(C)C[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccnn1[*:1]
Cc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc1Cl c1ccc(cc1)C[*:1] Cc1ccc(cc1Cl)NC(=O)N1CCC(CC1)N1CCN(C1=O)[*:1]
Cc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N[*:1])N1CCC(CC1)N1CCN(Cc2ccccc2)C1=O
Cc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)N1CCC(CC1)N1CCN(C[*:1])C1=O
Cc1cc(Br)ccc1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 Cc1cc(Br)ccc1[*:1] CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
Cc1cc(Br)ccc1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 CC(C)C[*:1] Cc1cc(Br)ccc1NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2ccccc21
Cc1cc(Br)ccc1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 CC(C)[*:1] Cc1cc(Br)ccc1NC(=O)Cn1c(=O)n(CC[*:1])c(=O)c2ccccc21
Cc1cc(Br)ccc1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 CC(C)CC[*:1] Cc1cc(Br)ccc1NC(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
Cc1ccccc1C1(CNC(=O)N[C@@H](C)CCCO)CC1 OCCC[*:1] Cc1ccccc1C1(CC1)CNC(=O)N[C@@H](C)[*:1]
Cc1ccccc1C1(CNC(=O)N[C@@H](C)CCCO)CC1 C[C@@H](CCCO)[*:1] Cc1ccccc1C1(CC1)CNC(=O)N[*:1]
Cc1ccccc1C1(CNC(=O)N[C@@H](C)CCCO)CC1 Cc1ccccc1[*:1] C[C@@H](CCCO)NC(=O)NCC1(CC1)[*:1]
Cc1ccccc1C1(CNC(=O)N[C@@H](C)CCCO)CC1 OCC[*:1] Cc1ccccc1C1(CC1)CNC(=O)N[C@@H](C)C[*:1]
Cc1c(/C=C/C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cnn1C CC(C)(C)[*:1] Cc1c(/C=C/C(=O)N2C[C@@H](C)N(C[C@H]2C)C(=O)O[*:1])cnn1C
Cc1c(/C=C/C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cnn1C Cc1c(cnn1C)[*:1] C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)C=C[*:1]
O=C(Cc1noc2ccccc12)NC[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C(Cc1noc2ccccc12)NC[*:1]
O=C(Cc1noc2ccccc12)NC[C@@H]1CCOC1 C1C[C@H](CO1)C[*:1] O=C(Cc1noc2ccccc12)N[*:1]
C[C@H]([NH3+])CCC(=O)NC[C@@H]1CN(C)CCO1 C[C@H]([NH3+])CC[*:1] CN1CCO[C@H](CNC(=O)[*:1])C1
C[NH+](CC(=O)N1CCOCC1)Cc1ccccc1N1CCCC1 C1CCN(C1)[*:1] C[NH+](CC(=O)N1CCOCC1)Cc1ccccc1[*:1]
CC(C)c1cc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)no1 CC(C)[*:1] O=C(c1cc(on1)[*:1])N1CC[C@@H](c2ccc3OCOc3c2)[C@H](O)C1
CC(C)c1cc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)no1 CC(C)c1cc(no1)[*:1] O=C(N1CC[C@@H](c2ccc3OCOc3c2)[C@H](O)C1)[*:1]
C=C(C)CSc1nnc(-c2ccoc2C)n1C C=C(C)CS[*:1] Cc1occc1-c1nnc(n1C)[*:1]
C=C(C)CSc1nnc(-c2ccoc2C)n1C C=C(C)C[*:1] Cc1occc1-c1nnc(S[*:1])n1C
C=C(C)CSc1nnc(-c2ccoc2C)n1C C=C(C)[*:1] Cc1occc1-c1nnc(SC[*:1])n1C
COC(=O)c1ccc(NCc2ncc(C(C)C)o2)cc1C COC(=O)[*:1] Cc1cc(ccc1[*:1])NCc1ncc(o1)C(C)C
COC(=O)c1ccc(NCc2ncc(C(C)C)o2)cc1C CC(C)[*:1] COC(=O)c1ccc(cc1C)NCc1ncc(o1)[*:1]
O=C1C[C@H](C(=O)NCc2cccnc2Oc2ccccc2)CN1 c1ccc(cc1)[*:1] O=C1C[C@@H](CN1)C(=O)NCc1cccnc1O[*:1]
O=C1C[C@H](C(=O)NCc2cccnc2Oc2ccccc2)CN1 c1ccc(cc1)O[*:1] O=C1C[C@@H](CN1)C(=O)NCc1cccnc1[*:1]
CN[C@H](c1cccc(OC(C)C)c1)C1([NH+](C)C)CCCC1 CC(C)O[*:1] CN[C@H](c1cccc(c1)[*:1])C1(CCCC1)[NH+](C)C
CN[C@H](c1cccc(OC(C)C)c1)C1([NH+](C)C)CCCC1 CC(C)[*:1] CN[C@H](c1cccc(c1)O[*:1])C1(CCCC1)[NH+](C)C
COc1ccc(OC)c(S(=O)(=O)N2CCN(c3c(C)n[nH]c3C)CC2)c1 Cc1n[nH]c(C)c1[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N1CCN(CC1)[*:1]
C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 O=C(N[*:1])c1ccccc1Cl C[C@H](c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1)[*:1]
C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 Clc1ccccc1[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1
C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1CC(=O)N[*:1]
C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1C[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)NC[C@H](C)Cn1cc[nH+]c1C Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=C/C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cccc(OCC(N)=S)c1 C[C@H]1C[C@@H]1[*:1] NC(=S)COc1cccc(c1)NC(=O)[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cccc(OCC(N)=S)c1 NC(=S)CO[*:1] C[C@H]1C[C@H]1C(=O)Nc1cccc(c1)[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cccc(OCC(N)=S)c1 NC(=S)C[*:1] C[C@H]1C[C@H]1C(=O)Nc1cccc(c1)O[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cccc(OCC(N)=S)c1 NC(=S)[*:1] C[C@H]1C[C@H]1C(=O)Nc1cccc(c1)OC[*:1]
C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 FC(F)(F)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])N1CC[NH+](CC1)C[C@@H]1CCCO1
COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nnc(NC(=O)[*:1])o1
Cc1ccc(F)c(C(C)(F)F)c1 CC(F)(F)[*:1] Cc1ccc(F)c(c1)[*:1]
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)=O)cc2)cc1 CC(=O)[*:1] CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(cc2)[*:1])cc1
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)=O)cc2)cc1 CCC[*:1] CC(=O)c1ccc(cc1)NC(=O)/C(C#N)=C/c1ccc(cc1)O[*:1]
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)=O)cc2)cc1 CCCO[*:1] CC(=O)c1ccc(cc1)NC(=O)/C(C#N)=C/c1ccc(cc1)[*:1]
CC1(C)CCN(C(=O)N2CCC(C(=O)[O-])CC2)C1 O=C([O-])[*:1] CC1(C)CCN(C1)C(=O)N1CCC(CC1)[*:1]
Cc1cccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)c2ccco2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)[C@@H](C)N[C@@H](c2ccco2)[*:1])c1C
Cc1cccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)c2ccco2)c1C c1coc(c1)[*:1] Cc1cccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)[*:1])c1C
Cc1cccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)c2ccco2)c1C Cc1cccc(c1C)[*:1] C[C@@H](N[C@@H](c1ccccc1)c1ccco1)C(=O)N[*:1]
Cc1ccc(CN(C)C(=O)Nc2ccc(C)c(F)c2)s1 Cc1ccc(s1)[*:1] Cc1ccc(cc1F)NC(=O)N(C)C[*:1]
CC(C)S(=O)(=O)CC(=O)NCc1c(F)cccc1OC(F)F CC(C)S(=O)(=O)[*:1] O=C(C[*:1])NCc1c(F)cccc1OC(F)F
CC(C)S(=O)(=O)CC(=O)NCc1c(F)cccc1OC(F)F CC(C)S(=O)(=O)C[*:1] O=C(NCc1c(F)cccc1OC(F)F)[*:1]
CC(C)S(=O)(=O)CC(=O)NCc1c(F)cccc1OC(F)F FC(F)[*:1] CC(C)S(=O)(=O)CC(=O)NCc1c(F)cccc1O[*:1]
CC(C)S(=O)(=O)CC(=O)NCc1c(F)cccc1OC(F)F FC(F)O[*:1] CC(C)S(=O)(=O)CC(=O)NCc1c(F)cccc1[*:1]
CC(C)S(=O)(=O)CC(=O)NCc1c(F)cccc1OC(F)F CC(C)[*:1] O=C(CS(=O)(=O)[*:1])NCc1c(F)cccc1OC(F)F
CCOc1ccc(/C=C/c2nc(C#N)c(N3CCCCC3)o2)cc1 CCO[*:1] N#Cc1nc(/C=C/c2ccc(cc2)[*:1])oc1N1CCCCC1
CCOc1ccc(/C=C/c2nc(C#N)c(N3CCCCC3)o2)cc1 C1CCN(CC1)[*:1] CCOc1ccc(/C=C/c2nc(C#N)c(o2)[*:1])cc1
O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1O O=[N+]([O-])[*:1] Oc1cc(ccc1[*:1])C[NH+]1CCC(CC1)Nc1ccc(F)cc1
O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1O Fc1ccc(cc1)N[*:1] O=[N+]([O-])c1ccc(cc1O)C[NH+]1CCC(CC1)[*:1]
O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1O Fc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1O)C[NH+]1CCC(CC1)N[*:1]
CCC[C@@H](NC(=O)c1cc(F)ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] CCC[C@@H](NC(=O)c1cc(F)ccc1C)C(=O)Nc1cccc(c1)[*:1]
CCC[C@@H](NC(=O)c1cc(F)ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 Cc1ccc(F)cc1[*:1] CCC[C@@H](NC(=O)[*:1])C(=O)Nc1cccc(c1)N1CCCC1
CCC[C@@H](NC(=O)c1cc(F)ccc1C)C(=O)Nc1cccc(N2CCCC2)c1 CCC[*:1] Cc1ccc(F)cc1C(=O)N[C@@H](C(=O)Nc1cccc(c1)N1CCCC1)[*:1]
CCCCSCc1cc(Cl)ccn1 CCCC[*:1] Clc1ccnc(c1)CS[*:1]
CCCCSCc1cc(Cl)ccn1 CCC[*:1] Clc1ccnc(c1)CSC[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)Cc2cnn(C)c2)c1 CCC(=O)N[*:1] CN(Cc1cnn(C)c1)C(=O)Nc1cc(ccc1Cl)[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)Cc2cnn(C)c2)c1 Cn1cc(cn1)C[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)N(C)[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)Cc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)N(C)C[*:1]
CC(C)NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 O=[N+]([O-])[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)c1ccc(cc1F)[*:1]
CC(C)NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)C(=O)c1ccc(cc1F)[N+](=O)[O-])N[*:1]
CC(C)NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 CC(C)NC(=O)C[*:1] O=C(c1ccc(cc1F)[N+](=O)[O-])N1CCN(CC1)[*:1]
CC(C)NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 CC(C)NC(=O)[*:1] O=C(c1ccc(cc1F)[N+](=O)[O-])N1CCN(CC1)C[*:1]
COc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)ccc1OC1CCN(C(C)=O)CC1 CC(=O)N1CCC(CC1)O[*:1] COc1cc(ccc1[*:1])C(=O)N1CC[C@@H]2CCCC[C@H]2C1
COc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)ccc1OC1CCN(C(C)=O)CC1 CC(=O)N1CCC(CC1)[*:1] COc1cc(ccc1O[*:1])C(=O)N1CC[C@@H]2CCCC[C@H]2C1
C[C@@H](OC(=O)c1cc(Cl)cn1C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](OC(=O)c1cc(Cl)cn1C)C(=O)N[*:1]
CC(C)c1cc(CN(C)C(=O)c2ccc3nc(-c4ccccc4)cn3c2)no1 c1ccc(cc1)[*:1] CC(C)c1cc(CN(C)C(=O)c2ccc3nc(cn3c2)[*:1])no1
CC(C)c1cc(CN(C)C(=O)c2ccc3nc(-c4ccccc4)cn3c2)no1 CC(C)c1cc(C[*:1])no1 CN(C(=O)c1ccc2nc(cn2c1)-c1ccccc1)[*:1]
CC(C)c1cc(CN(C)C(=O)c2ccc3nc(-c4ccccc4)cn3c2)no1 CC(C)[*:1] CN(Cc1cc(on1)[*:1])C(=O)c1ccc2nc(cn2c1)-c1ccccc1
CC(C)c1cc(CN(C)C(=O)c2ccc3nc(-c4ccccc4)cn3c2)no1 CC(C)c1cc(no1)[*:1] CN(C[*:1])C(=O)c1ccc2nc(cn2c1)-c1ccccc1
CCO[C@@H]1CCCN(S(=O)(=O)/C=C/c2cccc(Br)c2)C1 Brc1cccc(c1)[*:1] CCO[C@@H]1CCCN(C1)S(=O)(=O)C=C[*:1]
CCO[C@@H]1CCCN(S(=O)(=O)/C=C/c2cccc(Br)c2)C1 CCO[*:1] O=S(=O)(/C=C/c1cccc(Br)c1)N1CCC[C@H](C1)[*:1]
C[C@H](C(=O)NC1(c2ccccc2)CCCCC1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](C(=O)NC1(CCCCC1)c1ccccc1)[*:1]
C[C@H](C(=O)NC1(c2ccccc2)CCCCC1)S(C)(=O)=O c1ccc(cc1)[*:1] C[C@H](C(=O)NC1(CCCCC1)[*:1])S(C)(=O)=O
O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1Cc1ccco1 Fc1ccc(cc1F)[*:1] O=c1c2ccccc2nc(SC[*:1])n1Cc1ccco1
O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1Cc1ccco1 c1coc(c1)[*:1] O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1C[*:1]
O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1Cc1ccco1 Fc1ccc(cc1F)C[*:1] O=c1c2ccccc2nc(S[*:1])n1Cc1ccco1
O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1Cc1ccco1 c1coc(c1)C[*:1] O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1[*:1]
CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1 OCC[*:1] CSc1ccc(cc1)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1 CSc1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1CCO)[*:1]
CCCCC(=O)N(CCC(C)C)c1nnc(C)c2ccccc12 CCC[*:1] Cc1nnc(c2ccccc12)N(CCC(C)C)C(=O)C[*:1]
CCCCC(=O)N(CCC(C)C)c1nnc(C)c2ccccc12 CCCC[*:1] Cc1nnc(c2ccccc12)N(CCC(C)C)C(=O)[*:1]
CCCCC(=O)N(CCC(C)C)c1nnc(C)c2ccccc12 CC(C)CC[*:1] CCCCC(=O)N(c1nnc(C)c2ccccc12)[*:1]
CCCCC(=O)N(CCC(C)C)c1nnc(C)c2ccccc12 CC(C)[*:1] CCCCC(=O)N(CC[*:1])c1nnc(C)c2ccccc12
CCCCC(=O)N(CCC(C)C)c1nnc(C)c2ccccc12 CC(C)C[*:1] CCCCC(=O)N(C[*:1])c1nnc(C)c2ccccc12
Cc1ccc(Cn2c(=O)nc(-c3ccco3)c3nc(N4CCOCC4)sc32)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)Cn1c(=O)nc(c2nc(sc21)N1CCOCC1)[*:1]
Cc1ccc(Cn2c(=O)nc(-c3ccco3)c3nc(N4CCOCC4)sc32)cc1 Cc1ccc(cc1)[*:1] O=c1nc(-c2ccco2)c2nc(sc2n1C[*:1])N1CCOCC1
Cc1ccc(Cn2c(=O)nc(-c3ccco3)c3nc(N4CCOCC4)sc32)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)Cn1c(=O)nc(-c2ccco2)c2nc(sc21)[*:1]
Cc1ccc(Cn2c(=O)nc(-c3ccco3)c3nc(N4CCOCC4)sc32)cc1 Cc1ccc(cc1)C[*:1] O=c1nc(-c2ccco2)c2nc(sc2n1[*:1])N1CCOCC1
COc1ccc(OC(=O)c2cccnc2OCC(F)F)cc1 FC(F)[*:1] COc1ccc(cc1)OC(=O)c1cccnc1OC[*:1]
COc1ccc(OC(=O)c2cccnc2OCC(F)F)cc1 FC(F)CO[*:1] COc1ccc(cc1)OC(=O)c1cccnc1[*:1]
COc1ccc(OC(=O)c2cccnc2OCC(F)F)cc1 FC(F)C[*:1] COc1ccc(cc1)OC(=O)c1cccnc1O[*:1]
Cc1cc(CSc2ncccc2C(=O)N(C)[C@H]2CCC[C@H](C)C2)no1 Cc1cc(CS[*:1])no1 C[C@H]1CCC[C@@H](C1)N(C)C(=O)c1cccnc1[*:1]
Cc1cc(CSc2ncccc2C(=O)N(C)[C@H]2CCC[C@H](C)C2)no1 Cc1cc(C[*:1])no1 C[C@H]1CCC[C@@H](C1)N(C)C(=O)c1cccnc1S[*:1]
Cc1cc(CSc2ncccc2C(=O)N(C)[C@H]2CCC[C@H](C)C2)no1 Cc1cc(no1)[*:1] C[C@H]1CCC[C@@H](C1)N(C)C(=O)c1cccnc1SC[*:1]
C[C@@](O)(c1cc(F)cc(F)c1)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@@](O)(c1cc(F)cc(F)c1)[*:1]
Cc1cc(C)n2cc(C[NH+](C)Cc3sccc3C)nc2n1 Cc1ccsc1C[*:1] Cc1cc(C)n2cc(C[NH+](C)[*:1])nc2n1
Cc1cc(C)n2cc(C[NH+](C)Cc3sccc3C)nc2n1 Cc1ccsc1[*:1] Cc1cc(C)n2cc(C[NH+](C)C[*:1])nc2n1
CCNC(=O)CN(CC)C(=O)c1cccn1Cc1ccccc1 c1ccc(cc1)C[*:1] CCNC(=O)CN(CC)C(=O)c1cccn1[*:1]
CCNC(=O)CN(CC)C(=O)c1cccn1Cc1ccccc1 CCNC(=O)C[*:1] CCN(C(=O)c1cccn1Cc1ccccc1)[*:1]
CCNC(=O)CN(CC)C(=O)c1cccn1Cc1ccccc1 CCNC(=O)[*:1] CCN(C[*:1])C(=O)c1cccn1Cc1ccccc1
CCNC(=O)CN(CC)C(=O)c1cccn1Cc1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)CN(CC)C(=O)c1cccn1C[*:1]
COCCN1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)[C@@H]1CC1(Cl)Cl
COCCN1CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1=O COCC[*:1] O=C([C@@H]1CC1(Cl)Cl)N1CCN(C(=O)C1)[*:1]
Fc1ccc(CN2CCN(Cc3nccn3C(F)F)CC2)c(C(F)(F)F)c1 FC(F)n1ccnc1[*:1] Fc1ccc(CN2CCN(CC2)C[*:1])c(c1)C(F)(F)F
Fc1ccc(CN2CCN(Cc3nccn3C(F)F)CC2)c(C(F)(F)F)c1 FC(F)[*:1] Fc1ccc(CN2CCN(CC2)Cc2nccn2[*:1])c(c1)C(F)(F)F
Fc1ccc(CN2CCN(Cc3nccn3C(F)F)CC2)c(C(F)(F)F)c1 FC(F)n1ccnc1C[*:1] Fc1ccc(CN2CCN(CC2)[*:1])c(c1)C(F)(F)F
Fc1ccc(CN2CCN(Cc3nccn3C(F)F)CC2)c(C(F)(F)F)c1 FC(F)(F)[*:1] Fc1ccc(CN2CCN(CC2)Cc2nccn2C(F)F)c(c1)[*:1]
Cc1cc(NC(=O)CCOc2ccccc2)n(Cc2ccccn2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CCO[*:1])n(Cc2ccccn2)n1
Cc1cc(NC(=O)CCOc2ccccc2)n(Cc2ccccn2)n1 c1ccc(cc1)OC[*:1] Cc1cc(NC(=O)C[*:1])n(Cc2ccccn2)n1
Cc1cc(NC(=O)CCOc2ccccc2)n(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc(NC(=O)CCOc2ccccc2)n(n1)[*:1]
Cc1cc(NC(=O)CCOc2ccccc2)n(Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(NC(=O)CCOc2ccccc2)n(C[*:1])n1
Cc1cc(NC(=O)CCOc2ccccc2)n(Cc2ccccn2)n1 c1ccc(cc1)O[*:1] Cc1cc(NC(=O)CC[*:1])n(Cc2ccccn2)n1
Cc1nc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)cs1 Cc1nc(cs1)[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)[*:1]
Cc1ccc(/C=C/C(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1 Cc1ccc(C=C[*:1])cc1 Cc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)[*:1]
Cc1ccc(/C=C/C(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(/C=C/C(=O)N2CCCN(CC2)C(=O)[*:1])cc1
Cc1ccc(/C=C/C(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)C=C[*:1]
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H](c1nccs1)C1CC1 Fc1ccc(cc1)C[*:1] O=C(NNC(=O)[*:1])N[C@@H](c1nccs1)C1CC1
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H](c1nccs1)C1CC1 C1CC1[*:1] O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H](c1nccs1)[*:1]
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H](c1nccs1)C1CC1 c1csc(n1)[*:1] O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H](C1CC1)[*:1]
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H](c1nccs1)C1CC1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NNC(=O)N[C@@H](c1nccs1)C1CC1
CCCC(=O)N1CCC[C@@H]1Cn1c(C(F)(F)F)cc(=O)c2cc(C)ccc21 CCC[*:1] Cc1ccc2c(c1)c(=O)cc(n2C[C@H]1CCCN1C(=O)[*:1])C(F)(F)F
CCCC(=O)N1CCC[C@@H]1Cn1c(C(F)(F)F)cc(=O)c2cc(C)ccc21 FC(F)(F)[*:1] CCCC(=O)N1CCC[C@@H]1Cn1c(cc(=O)c2cc(C)ccc21)[*:1]
CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(F)cc1 CCC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1C[*:1]
CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(F)cc1 CCCC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1[*:1]
Cc1nc(C)c(C(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)s1 Cc1nc(C)c(s1)[*:1] Cc1nn(-c2ncc(cn2)NC(=O)[*:1])c(C)c1C
Cc1nc(C)c(C(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)s1 Cc1nn(c(C)c1C)[*:1] Cc1nc(C)c(s1)C(=O)Nc1cnc(nc1)[*:1]
O=c1ccnc(/C=C/c2cnn(Cc3ccccc3)c2)[nH]1 O=c1ccnc([nH]1)[*:1] C(=C[*:1])c1cnn(c1)Cc1ccccc1
O=c1ccnc(/C=C/c2cnn(Cc3ccccc3)c2)[nH]1 c1ccc(cc1)C[*:1] O=c1ccnc(/C=C/c2cnn(c2)[*:1])[nH]1
O=c1ccnc(/C=C/c2cnn(Cc3ccccc3)c2)[nH]1 c1ccc(cc1)[*:1] O=c1ccnc(/C=C/c2cnn(c2)C[*:1])[nH]1
CC(C)[C@@](C)(O)CNC(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O CC(C)[C@@](C)(O)C[*:1] C[C@@H]1C[C@H](NC(=O)N[*:1])C(=O)N1c1ccccc1
CC(C)[C@@](C)(O)CNC(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)[C@@](C)(O)CNC(=O)N[C@H]1C[C@@H](C)N(C1=O)[*:1]
CC(C)[C@@](C)(O)CNC(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O CC(C)[C@@](C)(O)[*:1] C[C@@H]1C[C@H](NC(=O)NC[*:1])C(=O)N1c1ccccc1
CC(C)[C@@](C)(O)CNC(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O CC(C)[*:1] C[C@@H]1C[C@H](NC(=O)NC[C@@](C)(O)[*:1])C(=O)N1c1ccccc1
CC(C)(F)C(=O)Nc1ccc(S(C)(=O)=O)nc1 CS(=O)(=O)[*:1] CC(C)(F)C(=O)Nc1ccc(nc1)[*:1]
CC(C)(F)C(=O)Nc1ccc(S(C)(=O)=O)nc1 CC(C)(F)[*:1] CS(=O)(=O)c1ccc(cn1)NC(=O)[*:1]
O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(Nc1nnc(o1)-c1ccc2CCCCc2c1)[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1ccccc1
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccco1 c1coc(c1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NC[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccco1 c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])NCc1ccco1
C[C@@H]1CCC[C@H](NC(=O)CS(=O)(=O)Cc2cc(-c3cccs3)on2)[C@@H]1C c1csc(c1)[*:1] C[C@@H]1CCC[C@H](NC(=O)CS(=O)(=O)Cc2cc(on2)[*:1])[C@@H]1C
C(=N/c1ccc(Oc2ccc(/N=C/c3cccnc3)cc2)cc1)\c1cccnc1 c1cncc(c1)[*:1] C(=N/c1ccc(cc1)Oc1ccc(cc1)N=C[*:1])\c1cccnc1
C(=N/c1ccc(Oc2ccc(/N=C/c3cccnc3)cc2)cc1)\c1cccnc1 C(=N[*:1])c1cccnc1 C(=N/c1ccc(cc1)Oc1ccc(cc1)[*:1])\c1cccnc1
Cc1c(CC(=O)NCCCN2CCOCC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 C(CN1CCOCC1)C[*:1] Cc1c(CC(=O)N[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
Cc1c(CC(=O)NCCCN2CCOCC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 C1CN(CCO1)CC[*:1] Cc1c(CC(=O)NC[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
Cc1c(CC(=O)NCCCN2CCOCC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 C1CN(CCO1)C[*:1] Cc1c(CC(=O)NCC[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
Cc1c(CC(=O)NCCCN2CCOCC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 C1CN(CCO1)[*:1] Cc1c(CC(=O)NCCC[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
CC[C@@H](NC(=O)c1ccc2c(c1)ncn2C(C)C)c1nc(C)n[nH]1 CC(C)[*:1] CC[C@@H](NC(=O)c1ccc2c(c1)ncn2[*:1])c1nc(C)n[nH]1
CC[C@@H](NC(=O)c1ccc2c(c1)ncn2C(C)C)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@@H](NC(=O)c1ccc2c(c1)ncn2C(C)C)[*:1]
[NH3+]CCOCC(=O)Nc1ncccc1Br [NH3+]CCO[*:1] O=C(C[*:1])Nc1ncccc1Br
[NH3+]CCOCC(=O)Nc1ncccc1Br [NH3+]CC[*:1] O=C(CO[*:1])Nc1ncccc1Br
[NH3+]CCOCC(=O)Nc1ncccc1Br [NH3+]CCOC[*:1] O=C(Nc1ncccc1Br)[*:1]
Cc1cc(C)c(NC(=O)[C@H](C)n2cnc3c(sc4ncccc43)c2=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] C[C@@H](C(=O)N[*:1])n1cnc2c(sc3ncccc32)c1=O
CCn1cc(C(=O)C(=O)O[C@@H](C)c2ccc(Cl)s2)cn1 Clc1ccc(s1)[*:1] CCn1cc(cn1)C(=O)C(=O)O[C@@H](C)[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 FC(F)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCN(CC1)C(=O)c1ccccc1O[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 FC(F)O[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
O=[N+]([O-])c1ccc(CN2CCO[C@@]3(CCc4ccccc43)C2)cc1O O=[N+]([O-])[*:1] Oc1cc(ccc1[*:1])CN1CCO[C@@]2(CCc3ccccc32)C1
C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H]1C c1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CC2)S(=O)(=O)[*:1])[C@@H]1C
C[C@@H](Nc1nc(N2CCCC2)nc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1nc(nc2ccccc12)N1CCCC1)[*:1]
C[C@@H](Nc1nc(N2CCCC2)nc2ccccc12)c1ccccc1 C1CCN(C1)[*:1] C[C@@H](Nc1nc(nc2ccccc12)[*:1])c1ccccc1
C[C@@H](Nc1nc(N2CCCC2)nc2ccccc12)c1ccccc1 C[C@@H](c1ccccc1)[*:1] c1ccc2c(nc(nc2c1)N1CCCC1)N[*:1]
Cc1csc(S[C@H](C(=O)NCc2cccnc2)C(C)C)n1 Cc1csc(n1)S[*:1] CC(C)[C@@H](C(=O)NCc1cccnc1)[*:1]
Cc1csc(S[C@H](C(=O)NCc2cccnc2)C(C)C)n1 CC(C)[*:1] Cc1csc(n1)S[C@H](C(=O)NCc1cccnc1)[*:1]
Cc1csc(S[C@H](C(=O)NCc2cccnc2)C(C)C)n1 c1cncc(c1)[*:1] Cc1csc(n1)S[C@H](C(=O)NC[*:1])C(C)C
Cc1csc(S[C@H](C(=O)NCc2cccnc2)C(C)C)n1 c1cncc(c1)C[*:1] Cc1csc(n1)S[C@H](C(=O)N[*:1])C(C)C
Cc1csc(S[C@H](C(=O)NCc2cccnc2)C(C)C)n1 Cc1csc(n1)[*:1] CC(C)[C@H](S[*:1])C(=O)NCc1cccnc1
CCC(CC)c1cc(CNc2cc(C(N)=O)ccn2)on1 NC(=O)[*:1] CCC(CC)c1cc(CNc2cc(ccn2)[*:1])on1
CCC(CC)c1cc(CNc2cc(C(N)=O)ccn2)on1 CCC(CC)[*:1] NC(=O)c1ccnc(c1)NCc1cc(no1)[*:1]
COc1ccccc1N1C[C@H](C(=O)Nc2nc(C)no2)CC1=O Cc1noc(n1)[*:1] COc1ccccc1N1C[C@@H](CC1=O)C(=O)N[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1Cc2ccccc2C[C@@H]1C(N)=O NC(=O)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1Cc2ccccc2C[C@H]1[*:1]
CCCn1c(=O)n(CN2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc21 CCC[*:1] CN(C)S(=O)(=O)N1CCN(CC1)Cn1c(=O)n(c2ccccc21)[*:1]
C[NH+](CCOc1ccc2ccccc2c1)C1(C(N)=O)CCCC1 NC(=O)[*:1] C[NH+](CCOc1ccc2ccccc2c1)C1(CCCC1)[*:1]
C[C@@]1(C(=O)[O-])[C@@H](C(=O)[O-])[C@H]2CC(=O)[C@@H]1C2 O=C([O-])[*:1] C[C@@]1(C(=O)[O-])[C@@H]([C@H]2CC(=O)[C@@H]1C2)[*:1]
C[C@@]1(C(=O)[O-])[C@@H](C(=O)[O-])[C@H]2CC(=O)[C@@H]1C2 O=C([O-])[*:1] C[C@]1([C@@H](C(=O)[O-])[C@H]2CC(=O)[C@@H]1C2)[*:1]
O=C(NCCC(F)(F)F)N1CCC(c2c[nH]c3ncccc23)CC1 FC(F)(F)CC[*:1] O=C(N[*:1])N1CCC(CC1)c1c[nH]c2ncccc12
O=C(NCCC(F)(F)F)N1CCC(c2c[nH]c3ncccc23)CC1 FC(F)(F)C[*:1] O=C(NC[*:1])N1CCC(CC1)c1c[nH]c2ncccc12
O=C(NCCC(F)(F)F)N1CCC(c2c[nH]c3ncccc23)CC1 FC(F)(F)[*:1] O=C(NCC[*:1])N1CCC(CC1)c1c[nH]c2ncccc12
CCOC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)cn1C Clc1cccc(c1)[*:1] CCOC(=O)c1cc(cn1C)S(=O)(=O)N[*:1]
CCOC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)cn1C CCOC(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)Nc1cccc(Cl)c1
Cc1sc(=O)n(CC(=O)N2CCC(Nc3ccccc3)CC2)c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(=O)n(CC(=O)N2CCC(CC2)Nc2ccccc2)c1[*:1]
Cc1sc(=O)n(CC(=O)N2CCC(Nc3ccccc3)CC2)c1-c1ccc(F)cc1 c1ccc(cc1)N[*:1] Cc1sc(=O)n(CC(=O)N2CCC(CC2)[*:1])c1-c1ccc(F)cc1
Cc1sc(=O)n(CC(=O)N2CCC(Nc3ccccc3)CC2)c1-c1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1sc(=O)n(CC(=O)N2CCC(CC2)N[*:1])c1-c1ccc(F)cc1
CCCn1c([O-])c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)c2ccccc21 CCC[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1c([O-])n(c2ccccc2c1=O)[*:1]
CCCn1c([O-])c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)c2ccccc21 CCOC(=O)[*:1] CCCn1c([O-])c(C(=O)Nc2ccc(cc2)[*:1])c(=O)c2ccccc21
Cc1cccc2nc(-c3ccc(CC[NH3+])cc3)oc12 [NH3+]CC[*:1] Cc1cccc2nc(oc12)-c1ccc(cc1)[*:1]
CC[C@@H](NC(=O)N(Cc1ccc(C)s1)C(C)C)c1ccncc1 Cc1ccc(s1)[*:1] CC[C@@H](NC(=O)N(C[*:1])C(C)C)c1ccncc1
CC[C@@H](NC(=O)N(Cc1ccc(C)s1)C(C)C)c1ccncc1 CC(C)[*:1] CC[C@@H](NC(=O)N(Cc1ccc(C)s1)[*:1])c1ccncc1
CC[C@@H](NC(=O)N(Cc1ccc(C)s1)C(C)C)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N(Cc1ccc(C)s1)C(C)C)[*:1]
CC[C@@H](NC(=O)N(Cc1ccc(C)s1)C(C)C)c1ccncc1 Cc1ccc(C[*:1])s1 CC[C@@H](NC(=O)N(C(C)C)[*:1])c1ccncc1
COc1cccc(C(=O)NC[C@H](C)Oc2ccccc2Cl)n1 Clc1ccccc1[*:1] COc1cccc(n1)C(=O)NC[C@H](C)O[*:1]
CC[C@H](C)c1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)on1 CC[C@H](C)[*:1] C[C@H](NC(=O)c1cc(no1)[*:1])c1cccc(C#N)c1
CCCc1c(Cl)ncnc1SC[C@@H](C)CO C[C@@H](CO)C[*:1] CCCc1c(Cl)ncnc1S[*:1]
CCCc1c(Cl)ncnc1SC[C@@H](C)CO CCC[*:1] C[C@@H](CO)CSc1ncnc(Cl)c1[*:1]
CCCc1c(Cl)ncnc1SC[C@@H](C)CO C[C@@H](CO)[*:1] CCCc1c(Cl)ncnc1SC[*:1]
COC(=O)[C@H]1C[C@@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2cc(Cl)ccc2N1 COC(=O)[*:1] C[C@@]12CC[C@@H](C[C@@H]1[*:1])[C@@]1(C2)NC(=O)c2cc(Cl)ccc2N1
Cc1ccc2c(c1)=C[C@H](CNc1ccc(N3CCCCC3)cc1C(=O)N1CCCCC1)C(=O)[NH+]=2 O=C(N1CCCCC1)[*:1] Cc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CNc1ccc(cc1[*:1])N1CCCCC1
Cc1ccc2c(c1)=C[C@H](CNc1ccc(N3CCCCC3)cc1C(=O)N1CCCCC1)C(=O)[NH+]=2 C1CCN(CC1)[*:1] Cc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CNc1ccc(cc1C(=O)N1CCCCC1)[*:1]
O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@H]1COc2ccccc2O1 FC(F)(F)[*:1] O=C(CSc1ccc(cn1)[*:1])NC[C@H]1COc2ccccc2O1
CC(C)CN(C)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O CC(C)CN(C)[*:1] O=C1C(=O)N(C(=O)N1C[*:1])C12CC3CC(CC(C3)C1)C2
CC(C)CN(C)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O CC(C)C[*:1] CN(CN1C(=O)C(=O)N(C1=O)C12CC3CC(CC(C3)C1)C2)[*:1]
CC(C)CN(C)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O CC(C)[*:1] CN(CN1C(=O)C(=O)N(C1=O)C12CC3CC(CC(C3)C1)C2)C[*:1]
CC(C)CN(C)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O CC(C)CN(C)C[*:1] O=C1C(=O)N(C(=O)N1C12CC3CC(CC(C3)C1)C2)[*:1]
O=C(N/C(=C/c1cccnc1)C(=O)N1CCOCC1)c1ccccc1Br O=C(N1CCOCC1)[*:1] O=C(N/C(=C/c1cccnc1)[*:1])c1ccccc1Br
O=C(N/C(=C/c1cccnc1)C(=O)N1CCOCC1)c1ccccc1Br c1cncc(c1)[*:1] O=C(NC(=C[*:1])C(=O)N1CCOCC1)c1ccccc1Br
O=C(N/C(=C/c1cccnc1)C(=O)N1CCOCC1)c1ccccc1Br Brc1ccccc1[*:1] O=C(/C(=C\c1cccnc1)NC(=O)[*:1])N1CCOCC1
CCCn1ncnc1CN1CCCC[C@H]1CC(C)=O CCC[*:1] CC(=O)C[C@@H]1CCCCN1Cc1ncnn1[*:1]
CCCn1ncnc1CN1CCCC[C@H]1CC(C)=O CC(=O)C[*:1] CCCn1ncnc1CN1CCCC[C@@H]1[*:1]
CCCn1ncnc1CN1CCCC[C@H]1CC(C)=O CC(=O)[*:1] CCCn1ncnc1CN1CCCC[C@H]1C[*:1]
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1cccnc1 O=C([O-])[*:1] O=C(NCc1cccnc1)[C@H]1[C@H]([C@@H]2C=C[C@H]1C2)[*:1]
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1cccnc1 c1cncc(c1)[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)NC[*:1]
Cc1ccc(Cl)cc1/N=C\c1cc([N+](=O)[O-])cc(Br)c1[O-] O=[N+]([O-])[*:1] Cc1ccc(Cl)cc1/N=C\c1cc(cc(Br)c1[O-])[*:1]
NC(=O)c1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1 c1cnn(c1)C[*:1] NC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccccc1[*:1]
NC(=O)c1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1 c1cnn(c1)[*:1] NC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccccc1C[*:1]
NC(=O)c1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1 NC(=O)[*:1] O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccc(cc1)[*:1]
C[C@H](C(=O)N(Cc1cccs1)C1CC1)n1c(=O)oc2ccccc21 c1csc(c1)C[*:1] C[C@H](C(=O)N(C1CC1)[*:1])n1c(=O)oc2ccccc21
C[C@H](C(=O)N(Cc1cccs1)C1CC1)n1c(=O)oc2ccccc21 c1csc(c1)[*:1] C[C@H](C(=O)N(C[*:1])C1CC1)n1c(=O)oc2ccccc21
C[C@H](C(=O)N(Cc1cccs1)C1CC1)n1c(=O)oc2ccccc21 C1CC1[*:1] C[C@H](C(=O)N(Cc1cccs1)[*:1])n1c(=O)oc2ccccc21
CS[C@H]1CC[C@H](NC(=O)N(C)CCCc2ccccc2)C1 c1ccc(cc1)C[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N(C)CC[*:1]
CS[C@H]1CC[C@H](NC(=O)N(C)CCCc2ccccc2)C1 c1ccc(cc1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N(C)CCC[*:1]
O=C(c1ccc(F)cc1)c1ccc(NC2CC2)cc1 C1CC1[*:1] O=C(c1ccc(F)cc1)c1ccc(cc1)N[*:1]
O=C(c1ccc(F)cc1)c1ccc(NC2CC2)cc1 C1CC1N[*:1] O=C(c1ccc(F)cc1)c1ccc(cc1)[*:1]
C[C@@H]1CCCC[C@@H]1N(C)C(=O)CNC(=O)c1ccoc1 c1cc(co1)[*:1] C[C@@H]1CCCC[C@@H]1N(C)C(=O)CNC(=O)[*:1]
C[C@H]1CCC[C@H](NC(=S)NNC(=O)Cc2ccccc2F)[C@@H]1C Fc1ccccc1[*:1] C[C@H]1CCC[C@H](NC(=S)NNC(=O)C[*:1])[C@@H]1C
CCSCC[C@@H](C)NC(=O)NCc1cccnc1 CCSCC[*:1] C[C@@H](NC(=O)NCc1cccnc1)[*:1]
CCSCC[C@@H](C)NC(=O)NCc1cccnc1 CCSC[*:1] C[C@H](C[*:1])NC(=O)NCc1cccnc1
CCSCC[C@@H](C)NC(=O)NCc1cccnc1 c1cncc(c1)[*:1] CCSCC[C@@H](C)NC(=O)NC[*:1]
CCSCC[C@@H](C)NC(=O)NCc1cccnc1 CCS[*:1] C[C@H](CC[*:1])NC(=O)NCc1cccnc1
CC(=O)c1cnc(NC(=O)c2cccc(Cl)c2Cl)s1 CC(=O)[*:1] O=C(Nc1ncc(s1)[*:1])c1cccc(Cl)c1Cl
[NH3+]CC(=O)N1CC[C@@H](NC(=O)OCc2ccccc2)C1 c1ccc(cc1)[*:1] [NH3+]CC(=O)N1CC[C@H](C1)NC(=O)OC[*:1]
O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1ccc(Cl)c(Cl)c1 c1coc(c1)[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])c1ccc(Cl)c(Cl)c1
O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1ccc(Cl)c(Cl)c1 c1coc(c1)C[*:1] O=C(NCC1CC[NH+](CC1)[*:1])c1ccc(Cl)c(Cl)c1
O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(NCC1CC[NH+](CC1)Cc1ccco1)[*:1]
C[C@H]1CCC[C@@H]([C@H](O)Cc2nccs2)C1 c1csc(n1)[*:1] C[C@H]1CCC[C@H](C1)[C@H](O)C[*:1]
NC1=[NH+]C[C@@]2(CCC[C@H](C3CC3)C2)N1c1ccccc1F Fc1ccccc1[*:1] NC1=[NH+]C[C@@]2(CCC[C@@H](C2)C2CC2)N1[*:1]
NC1=[NH+]C[C@@]2(CCC[C@H](C3CC3)C2)N1c1ccccc1F C1CC1[*:1] NC1=[NH+]C[C@@]2(CCC[C@H](C2)[*:1])N1c1ccccc1F
CN1C[C@H](C(=O)N2CCC[C@H]2c2ccccc2)CC1=O c1ccc(cc1)[*:1] CN1C[C@@H](CC1=O)C(=O)N1CCC[C@@H]1[*:1]
CCC(C)(CC)NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)[*:1] CCC(C)(CC)NC(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CCC(C)(CC)NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)C[*:1] CCC(C)(CC)NC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCC(C)(CC)NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)CNC(=O)[*:1] CCC(C)(CC)NC(=O)Nc1ccc(cc1)[*:1]
CCC(C)(CC)NC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CCC(C)(CC)[*:1] CC(C)CNC(=O)c1ccc(cc1)NC(=O)N[*:1]
CC[C@H](C)NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 CC[C@H](C)[*:1] O=C(N[*:1])N1CCC[C@@H]1c1cccc(Cl)c1
C/C=C/C(=O)Oc1c(CC)c(C)nn1-c1nc2ccccc2[nH]1 C/C=C/C(=O)O[*:1] CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1[*:1]
C/C=C/C(=O)Oc1c(CC)c(C)nn1-c1nc2ccccc2[nH]1 CC=C[*:1] CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1OC(=O)[*:1]
Cc1cc(C)c(NC(=O)Cc2cccc(C(F)(F)F)c2)c(Cl)n1 FC(F)(F)[*:1] Cc1cc(C)c(NC(=O)Cc2cccc(c2)[*:1])c(Cl)n1
CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc2c(s1)CCCC2 CN(C)S(=O)(=O)[*:1] O=C(NCc1ccccc1[*:1])c1cc2CCCCc2s1
O=C(CSc1nnc(CNc2ccc(F)cc2)o1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(CN[*:1])o1)c1cccs1
O=C(CSc1nnc(CNc2ccc(F)cc2)o1)c1cccs1 c1csc(c1)[*:1] O=C(CSc1nnc(CNc2ccc(F)cc2)o1)[*:1]
O=C(CSc1nnc(CNc2ccc(F)cc2)o1)c1cccs1 O=C(c1cccs1)[*:1] Fc1ccc(cc1)NCc1nnc(o1)SC[*:1]
Cc1cccc(-c2nnc(NC(=O)C3=COCCO3)o2)c1 Cc1cccc(c1)[*:1] O=C(Nc1nnc(o1)[*:1])C1=COCCO1
CN(C)c1cccc(CN(C)S(=O)(=O)CC2CCC2)c1 CN(C)[*:1] CN(Cc1cccc(c1)[*:1])S(=O)(=O)CC1CCC1
CN(C)c1cccc(CN(C)S(=O)(=O)CC2CCC2)c1 C1CC(C1)[*:1] CN(C)c1cccc(c1)CN(C)S(=O)(=O)C[*:1]
CN(C)c1cccc(CN(C)S(=O)(=O)CC2CCC2)c1 C1CC(C1)C[*:1] CN(C)c1cccc(c1)CN(C)S(=O)(=O)[*:1]
O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@H](C1)N[*:1]
O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC[C@@H](C1)[*:1]
CC[NH2+][C@@H](C(C)C)[C@H](C)c1ccc2c(c1)OCCO2 CC(C)[*:1] CC[NH2+][C@@H]([C@H](C)c1ccc2OCCOc2c1)[*:1]
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)[*:1]
COc1ccccc1-n1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O O=C(NC1CCCCC1)[*:1] COc1ccccc1-n1c(nc2ccccc2c1=O)SC[*:1]
COc1ccccc1-n1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O O=C(C[*:1])NC1CCCCC1 COc1ccccc1-n1c(nc2ccccc2c1=O)S[*:1]
COc1ccccc1-n1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O C1CCC(CC1)[*:1] COc1ccccc1-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
COc1ccccc1-n1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O COc1ccccc1[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])NC1CCCCC1
COc1ccccc1C1=N/C(=C\c2ccc(F)cc2)C(=O)O1 Fc1ccc(cc1)[*:1] COc1ccccc1C1=NC(=C[*:1])C(=O)O1
C[C@H](CNC(=O)NCC1(N2CCOCC2)CCCCC1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)NCC1(CCCCC1)[*:1])N1CCOCC1
C[C@H](CNC(=O)NCC1(N2CCOCC2)CCCCC1)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] O=C(NCC1(CCCCC1)N1CCOCC1)NC[*:1]
C[C@H](CNC(=O)NCC1(N2CCOCC2)CCCCC1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)NCC1(CCCCC1)N1CCOCC1)[*:1]
COc1ccc(C(=O)N2CCN(Cc3scnc3C)CC2)c(OC)c1 Cc1ncsc1C[*:1] COc1ccc(C(=O)N2CCN(CC2)[*:1])c(c1)OC
COc1ccc(C(=O)N2CCN(Cc3scnc3C)CC2)c(OC)c1 Cc1ncsc1[*:1] COc1ccc(C(=O)N2CCN(CC2)C[*:1])c(c1)OC
CCOc1ccccc1Nc1ncnc(-n2nnc3ccccc32)c1N CCO[*:1] Nc1c(ncnc1-n1nnc2ccccc21)Nc1ccccc1[*:1]
O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(CCCS(=O)(=O)c1ccc(F)cc1)N[*:1]
O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl Fc1ccc(cc1)[*:1] O=C(CCCS(=O)(=O)[*:1])Nc1cccc(Cl)c1Cl
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1 COc1cccc(c1)[*:1] Cc1cccc(NC(=O)CN(C)C(=O)c2cn(nc2[*:1])-c2ccccc2)c1C
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1 Cc1cccc(NC(=O)[*:1])c1C COc1cccc(c1)-c1nn(cc1C(=O)N(C)C[*:1])-c1ccccc1
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1nn(cc1C(=O)N(C)CC(=O)Nc1cccc(C)c1C)[*:1]
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] COc1cccc(c1)-c1nn(cc1C(=O)N(C)CC(=O)N[*:1])-c1ccccc1
CC[C@H](C)Oc1cccc(NC(=O)N[C@@H](C)COC)c1 CC[C@H](C)[*:1] COC[C@H](C)NC(=O)Nc1cccc(c1)O[*:1]
CC[C@H](C)Oc1cccc(NC(=O)N[C@@H](C)COC)c1 COC[*:1] CC[C@H](C)Oc1cccc(c1)NC(=O)N[C@@H](C)[*:1]
CC[C@H](C)Oc1cccc(NC(=O)N[C@@H](C)COC)c1 COC[C@H](C)[*:1] CC[C@H](C)Oc1cccc(c1)NC(=O)N[*:1]
CC[C@H](C)Oc1cccc(NC(=O)N[C@@H](C)COC)c1 CC[C@H](C)O[*:1] COC[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
Cc1noc(-c2ccccc2OCC(=O)N2CCCN(c3cccc[nH+]3)CC2)n1 Cc1noc(n1)[*:1] O=C(COc1ccccc1[*:1])N1CCCN(CC1)c1cccc[nH+]1
Cc1ccc([C@@H](C)NC(=O)N2CCOc3ccccc3C2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)N1CCOc2ccccc2C1)[*:1]
O=C(C1CCC1)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1 c1csc(c1)[*:1] O=C(C1CCC1)N1CCC[C@H](C1)Cn1nc(ccc1=O)[*:1]
O=C(C1CCC1)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1 C1CC(C1)[*:1] O=C(N1CCC[C@H](C1)Cn1nc(ccc1=O)-c1cccs1)[*:1]
c1ccc(-c2cc(N[C@H](c3nccs3)C3CC3)n3ncnc3n2)cc1 C1CC1[*:1] c1ccc(cc1)-c1cc(N[C@H](c2nccs2)[*:1])n2ncnc2n1
c1ccc(-c2cc(N[C@H](c3nccs3)C3CC3)n3ncnc3n2)cc1 c1csc(n1)[*:1] c1ccc(cc1)-c1cc(N[C@H](C2CC2)[*:1])n2ncnc2n1
c1ccc(-c2cc(N[C@H](c3nccs3)C3CC3)n3ncnc3n2)cc1 c1ccc(cc1)[*:1] c1csc(n1)[C@@H](Nc1cc(nc2ncnn12)[*:1])C1CC1
Cc1c(C(=O)OCC(=O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)OCC(=O)c1cccc(Cl)c1
Cc1c(C(=O)OCC(=O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] Clc1cccc(c1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)OCC(=O)[*:1]
Cc1ccc(S(=O)(=O)CNC(=O)Nc2cccc3ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C(NCS(=O)(=O)[*:1])Nc1cccc2ccccc12
O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)-c1nnnn1C1CC1)[C@H]1CCCN1C(=O)[*:1]
O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)-c1nnnn1[*:1])[C@H]1CCCN1C(=O)C1CC1
O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@H]1CCCN1C(=O)C1CC1 C1CC1n1nnnc1[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN1C(=O)C1CC1
c1ccc(COc2cncc(N3CC[NH+](C4CC4)CC3)n2)cc1 C1CC1[*:1] c1ccc(cc1)COc1cncc(n1)N1CC[NH+](CC1)[*:1]
c1ccc(COc2cncc(N3CC[NH+](C4CC4)CC3)n2)cc1 c1ccc(cc1)C[*:1] c1ncc(nc1O[*:1])N1CC[NH+](CC1)C1CC1
c1ccc(COc2cncc(N3CC[NH+](C4CC4)CC3)n2)cc1 c1ccc(cc1)[*:1] c1ncc(nc1OC[*:1])N1CC[NH+](CC1)C1CC1
C[C@H]1COc2cc(C(=O)[O-])nn2C1 O=C([O-])[*:1] C[C@H]1COc2cc(nn2C1)[*:1]
Cc1ccc(C(=O)C(=O)OCC(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)C(=O)C(=O)OCC(=O)N[*:1]
Cc1ccc(C(=O)C(=O)OCC(=O)NC2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(COC(=O)C(=O)[*:1])NC1CCCCC1
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cc(SC)ccc2C)C1 O=C([O-])[*:1] CO[C@H]1C[C@@H](N(C1)C(=O)c1cc(ccc1C)SC)[*:1]
Cc1cc(OCn2ccc(C(=O)NCC(C)C)n2)cc(C)c1Cl CC(C)[*:1] Cc1cc(cc(C)c1Cl)OCn1ccc(n1)C(=O)NC[*:1]
Cc1cc(OCn2ccc(C(=O)NCC(C)C)n2)cc(C)c1Cl CC(C)C[*:1] Cc1cc(cc(C)c1Cl)OCn1ccc(n1)C(=O)N[*:1]
Cc1cc(OCn2ccc(C(=O)NCC(C)C)n2)cc(C)c1Cl CC(C)CNC(=O)[*:1] Cc1cc(cc(C)c1Cl)OCn1ccc(n1)[*:1]
O=C(Cc1ccc(F)cc1F)NCCNc1nccc(C(F)(F)F)n1 FC(F)(F)[*:1] O=C(Cc1ccc(F)cc1F)NCCNc1nccc(n1)[*:1]
O=C(Cc1ccc(F)cc1F)NCCNc1nccc(C(F)(F)F)n1 Fc1ccc(c(F)c1)[*:1] O=C(C[*:1])NCCNc1nccc(n1)C(F)(F)F
CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cn[nH]c1 CC(C)(C)[*:1] O=C(Nc1cn[nH]c1)N[C@H](Cn1cc[nH+]c1)[*:1]
CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cn[nH]c1 c1n[nH]cc1[*:1] CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)N[*:1]
Cn1cc(NC(=O)Nc2ccccc2C(F)(F)F)c(C(N)=O)n1 FC(F)(F)[*:1] Cn1cc(NC(=O)Nc2ccccc2[*:1])c(n1)C(N)=O
Cn1cc(NC(=O)Nc2ccccc2C(F)(F)F)c(C(N)=O)n1 NC(=O)[*:1] Cn1cc(NC(=O)Nc2ccccc2C(F)(F)F)c(n1)[*:1]
CN(C)C(=O)CCCn1ccc(NC(=O)N[C@@H]2CCCC2(C)C)n1 CN(C)C(=O)[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1ccn(CCC[*:1])n1
CN(C)C(=O)CCCn1ccc(NC(=O)N[C@@H]2CCCC2(C)C)n1 CN(C)C(=O)C[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1ccn(CC[*:1])n1
CN(C)C(=O)CCCn1ccc(NC(=O)N[C@@H]2CCCC2(C)C)n1 CN(C)C(=O)CC[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1ccn(C[*:1])n1
CN(C)C(=O)CCCn1ccc(NC(=O)N[C@@H]2CCCC2(C)C)n1 CN(C)C(=O)CCC[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1ccn(n1)[*:1]
CC[C@H](NC(=O)C(=O)Nc1ccccc1CC(=O)N(C)C)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)C(=O)Nc1ccccc1CC(=O)N(C)C)[*:1]
CC[C@H](NC(=O)C(=O)Nc1ccccc1CC(=O)N(C)C)c1ccncc1 CN(C)C(=O)[*:1] CC[C@H](NC(=O)C(=O)Nc1ccccc1C[*:1])c1ccncc1
CC[C@H](NC(=O)C(=O)Nc1ccccc1CC(=O)N(C)C)c1ccncc1 CN(C)C(=O)C[*:1] CC[C@H](NC(=O)C(=O)Nc1ccccc1[*:1])c1ccncc1
Cc1nccn1-c1cncc(NC[C@@H]2C[C@@H]2c2ccccc2)n1 Cc1nccn1[*:1] c1ccc(cc1)[C@H]1C[C@H]1CNc1cncc(n1)[*:1]
Cc1nccn1-c1cncc(NC[C@@H]2C[C@@H]2c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nccn1-c1cncc(n1)NC[C@@H]1C[C@H]1[*:1]
Clc1ccc(NCc2cccc(CN3CCOCC3)c2)nc1 C1CN(CCO1)[*:1] Clc1ccc(nc1)NCc1cccc(c1)C[*:1]
Clc1ccc(NCc2cccc(CN3CCOCC3)c2)nc1 Clc1ccc(nc1)[*:1] c1cc(cc(c1)CN1CCOCC1)CN[*:1]
Clc1ccc(NCc2cccc(CN3CCOCC3)c2)nc1 C1CN(CCO1)C[*:1] Clc1ccc(nc1)NCc1cccc(c1)[*:1]
CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)NCc1ccccc1)C2 c1ccc(cc1)C[*:1] CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)N[*:1]
CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)NCc1ccccc1)C2 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)NC[*:1]
Cc1cccc(C(=O)NC2CCN(c3ncccn3)CC2)n1 Cc1cccc(n1)[*:1] O=C(NC1CCN(CC1)c1ncccn1)[*:1]
Cc1cccc(C(=O)NC2CCN(c3ncccn3)CC2)n1 c1cnc(nc1)[*:1] Cc1cccc(n1)C(=O)NC1CCN(CC1)[*:1]
Cc1nc([C@@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[*:1]
Cc1nc([C@@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cc1cccc(c1S(=O)(=O)N[C@@H](c1ccccc1)[*:1])[N+](=O)[O-]
Cc1nc([C@@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2ccccc2)n[nH]1 O=[N+]([O-])[*:1] Cc1nc(n[nH]1)[C@@H](NS(=O)(=O)c1c(C)cccc1[*:1])c1ccccc1
CN(C1CC1)S(=O)(=O)c1ccc2c(c1)CCN2 C1CC1[*:1] CN(S(=O)(=O)c1ccc2NCCc2c1)[*:1]
COCC[C@H](C)C(=O)Nc1cc(F)ccc1Sc1nccn1C COCC[C@H](C)[*:1] Cn1ccnc1Sc1ccc(F)cc1NC(=O)[*:1]
COCC[C@H](C)C(=O)Nc1cc(F)ccc1Sc1nccn1C COC[*:1] C[C@@H](C[*:1])C(=O)Nc1cc(F)ccc1Sc1nccn1C
COCC[C@H](C)C(=O)Nc1cc(F)ccc1Sc1nccn1C COCC[*:1] C[C@H](C(=O)Nc1cc(F)ccc1Sc1nccn1C)[*:1]
COCC[C@H](C)C(=O)Nc1cc(F)ccc1Sc1nccn1C Cn1ccnc1[*:1] COCC[C@H](C)C(=O)Nc1cc(F)ccc1S[*:1]
COCC[C@H](C)C(=O)Nc1cc(F)ccc1Sc1nccn1C Cn1ccnc1S[*:1] COCC[C@H](C)C(=O)Nc1cc(F)ccc1[*:1]
Fc1cc(Br)ccc1Nc1ncnc2c(-c3ccccc3)noc12 Fc1cc(Br)ccc1[*:1] c1ccc(cc1)-c1noc2c(ncnc12)N[*:1]
Fc1cc(Br)ccc1Nc1ncnc2c(-c3ccccc3)noc12 c1ccc(cc1)[*:1] Fc1cc(Br)ccc1Nc1ncnc2c(noc12)[*:1]
COc1cc(C)sc1C(=O)NCc1cccc(OCC(F)F)n1 FC(F)CO[*:1] COc1cc(C)sc1C(=O)NCc1cccc(n1)[*:1]
COc1cc(C)sc1C(=O)NCc1cccc(OCC(F)F)n1 FC(F)C[*:1] COc1cc(C)sc1C(=O)NCc1cccc(n1)O[*:1]
COc1cc(C)sc1C(=O)NCc1cccc(OCC(F)F)n1 FC(F)[*:1] COc1cc(C)sc1C(=O)NCc1cccc(n1)OC[*:1]
CCC[C@H]1NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O CCC[*:1] O=C1N[C@@H](C(=O)N1C[C@@H](O)c1cccc(F)c1)[*:1]
CC[C@H](Oc1c(C)cc(Br)cc1C)C(=O)[O-] O=C([O-])[*:1] CC[C@H](Oc1c(C)cc(Br)cc1C)[*:1]
Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2nnc(C(C)C)o2)nc2ccccc2c1=O CC(C)[*:1] Cc1c(Cl)cccc1-n1c(nc2ccccc2c1=O)SCC(=O)Nc1nnc(o1)[*:1]
Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2nnc(C(C)C)o2)nc2ccccc2c1=O Cc1c(Cl)cccc1[*:1] CC(C)c1nnc(NC(=O)CSc2nc3ccccc3c(=O)n2[*:1])o1
Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2nnc(C(C)C)o2)nc2ccccc2c1=O CC(C)c1nnc(o1)[*:1] Cc1c(Cl)cccc1-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
CC[C@]1(C)C[NH2+][C@@H](C(C)C)CN1Cc1ccc(O)cc1 CC(C)[*:1] CC[C@]1(C)C[NH2+][C@@H](CN1Cc1ccc(O)cc1)[*:1]
CN(C)C[C@@H]([NH3+])c1ccoc1 CN(C)[*:1] [NH3+][C@H](C[*:1])c1ccoc1
COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(Cl)cc1 COC(=O)[*:1] CC1=C([C@H](NC(=S)N1C)c1ccc(Cl)cc1)[*:1]
CC(=O)CCc1ccc(OC(=O)c2scnc2C2CC2)cc1 CC(=O)CC[*:1] O=C(Oc1ccc(cc1)[*:1])c1scnc1C1CC1
CC(=O)CCc1ccc(OC(=O)c2scnc2C2CC2)cc1 CC(=O)[*:1] O=C(Oc1ccc(cc1)CC[*:1])c1scnc1C1CC1
CC(=O)CCc1ccc(OC(=O)c2scnc2C2CC2)cc1 C1CC1[*:1] CC(=O)CCc1ccc(cc1)OC(=O)c1scnc1[*:1]
CC(=O)CCc1ccc(OC(=O)c2scnc2C2CC2)cc1 CC(=O)C[*:1] O=C(Oc1ccc(cc1)C[*:1])c1scnc1C1CC1
COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N1CCCO1 O=C(N1CCCO1)[*:1] COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1C[*:1]
COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N1CCCO1 O=C(C[*:1])N1CCCO1 COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1[*:1]
COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N1CCCO1 COc1ccccc1[*:1] O=C1NCCN(CC=C[*:1])[C@@H]1CC(=O)N1CCCO1
CCN(C(=O)[C@@H]1CSCN1)C1CC1 C1CC1[*:1] CCN(C(=O)[C@@H]1CSCN1)[*:1]
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)C1 c1ccc2c(c1)ncn2[*:1] CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(C[*:1])[nH]n2)C1
CN(C(=O)Cn1c(-c2ccc(F)cc2)nc2c(c1=O)CCN(Cc1ccccc1)C2)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)Cn1c(nc2CN(CCc2c1=O)C[*:1])-c1ccc(F)cc1)c1ccccc1
CN(C(=O)Cn1c(-c2ccc(F)cc2)nc2c(c1=O)CCN(Cc1ccccc1)C2)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)Cn1c(nc2CN(CCc2c1=O)Cc1ccccc1)-c1ccc(F)cc1)[*:1]
CN(C(=O)Cn1c(-c2ccc(F)cc2)nc2c(c1=O)CCN(Cc1ccccc1)C2)c1ccccc1 c1ccc(cc1)C[*:1] CN(C(=O)Cn1c(nc2CN(CCc2c1=O)[*:1])-c1ccc(F)cc1)c1ccccc1
CN(C(=O)Cn1c(-c2ccc(F)cc2)nc2c(c1=O)CCN(Cc1ccccc1)C2)c1ccccc1 CN(C(=O)[*:1])c1ccccc1 O=c1c2CCN(Cc3ccccc3)Cc2nc(-c2ccc(F)cc2)n1C[*:1]
CN(C(=O)Cn1c(-c2ccc(F)cc2)nc2c(c1=O)CCN(Cc1ccccc1)C2)c1ccccc1 Fc1ccc(cc1)[*:1] CN(C(=O)Cn1c(nc2CN(CCc2c1=O)Cc1ccccc1)[*:1])c1ccccc1
CN(C(=O)Cn1c(-c2ccc(F)cc2)nc2c(c1=O)CCN(Cc1ccccc1)C2)c1ccccc1 CN(C(=O)C[*:1])c1ccccc1 O=c1c2CCN(Cc3ccccc3)Cc2nc(-c2ccc(F)cc2)n1[*:1]
CCCCOC(=O)Cc1c(F)cccc1F CCC[*:1] O=C(Cc1c(F)cccc1F)OC[*:1]
CCCCOC(=O)Cc1c(F)cccc1F CCCC[*:1] O=C(Cc1c(F)cccc1F)O[*:1]
CCc1nc(C[NH+](Cc2ccc(O)c(OC)c2)C2CC2)cs1 CCc1nc(cs1)[*:1] COc1cc(ccc1O)C[NH+](C[*:1])C1CC1
CCc1nc(C[NH+](Cc2ccc(O)c(OC)c2)C2CC2)cs1 C1CC1[*:1] CCc1nc(cs1)C[NH+](Cc1ccc(O)c(c1)OC)[*:1]
C=CCOc1ccccc1C(=O)Nc1ccc2ccccc2n1 C=CCO[*:1] O=C(Nc1ccc2ccccc2n1)c1ccccc1[*:1]
C=CCOc1ccccc1C(=O)Nc1ccc2ccccc2n1 C=CC[*:1] O=C(Nc1ccc2ccccc2n1)c1ccccc1O[*:1]
Fc1ccc(C[NH+]2CCC(NCc3cc(F)ccc3F)CC2)cc1 Fc1ccc(cc1)C[*:1] Fc1ccc(F)c(c1)CNC1CC[NH+](CC1)[*:1]
Fc1ccc(C[NH+]2CCC(NCc3cc(F)ccc3F)CC2)cc1 Fc1ccc(cc1)[*:1] Fc1ccc(F)c(c1)CNC1CC[NH+](CC1)C[*:1]
Fc1ccc(C[NH+]2CCC(NCc3cc(F)ccc3F)CC2)cc1 Fc1ccc(F)c(c1)[*:1] Fc1ccc(cc1)C[NH+]1CCC(CC1)NC[*:1]
Cc1nc(Sc2cc([C@H](C)O)ccn2)nc(C)c1C C[C@H](O)[*:1] Cc1nc(nc(C)c1C)Sc1cc(ccn1)[*:1]
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1c(F)cccc1Cl)C2=O Fc1cccc(Cl)c1C[*:1] CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)[*:1])C2=O
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1c(F)cccc1Cl)C2=O Fc1cccc(Cl)c1[*:1] CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)C[*:1])C2=O
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1c(F)cccc1Cl)C2=O CCC(C)(C)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)NC2(CCC(CC2)[*:1])C1=O
C[C@H](NC(=O)c1ccco1)C(=O)NCCc1ccc(Cl)cc1Cl c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCCc1ccc(Cl)cc1Cl
C#CC(C)(C)NC(=O)CN(c1ccccc1Br)S(C)(=O)=O C#CC(C)(C)[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccccc1Br
C#CC(C)(C)NC(=O)CN(c1ccccc1Br)S(C)(=O)=O Brc1ccccc1[*:1] C#CC(C)(C)NC(=O)CN(S(C)(=O)=O)[*:1]
Cc1cccc(Cn2c(=O)c(C(=O)N3CCOCC3)nn(-c3ccccc3F)c2=O)c1 Cc1cccc(c1)C[*:1] O=C(c1nn(-c2ccccc2F)c(=O)n(c1=O)[*:1])N1CCOCC1
Cc1cccc(Cn2c(=O)c(C(=O)N3CCOCC3)nn(-c3ccccc3F)c2=O)c1 Fc1ccccc1[*:1] Cc1cccc(c1)Cn1c(=O)c(nn(c1=O)[*:1])C(=O)N1CCOCC1
Cc1cccc(Cn2c(=O)c(C(=O)N3CCOCC3)nn(-c3ccccc3F)c2=O)c1 O=C(N1CCOCC1)[*:1] Cc1cccc(c1)Cn1c(=O)c(nn(-c2ccccc2F)c1=O)[*:1]
Cc1cccc(Cn2c(=O)c(C(=O)N3CCOCC3)nn(-c3ccccc3F)c2=O)c1 Cc1cccc(c1)[*:1] O=C(c1nn(-c2ccccc2F)c(=O)n(C[*:1])c1=O)N1CCOCC1
Cc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)[C@@](O)(CC(=O)[*:1])c2ccccc21
Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccco3)c(=O)[nH]c2c1C c1coc(c1)[*:1] Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)[*:1])c(=O)[nH]c2c1C
CCCNc1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 CC(C)C[*:1] CCCNc1ccc(cn1)C(=O)N1CCC[C@@H](C1)C(=O)[*:1]
CCCNc1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 CCCN[*:1] CC(C)CC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(nc1)[*:1]
CCCNc1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 CC(C)[*:1] CCCNc1ccc(cn1)C(=O)N1CCC[C@@H](C1)C(=O)C[*:1]
CCCNc1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 CCC[*:1] CC(C)CC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(nc1)N[*:1]
CCCNc1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 CC(C)CC(=O)[*:1] CCCNc1ccc(cn1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 Cc1cccc(C)c1[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc(cc1)C(F)(F)F
Cc1ccccc1[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)[*:1]
Cc1ccccc1[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)C(C)C CC(C)[*:1] Cc1ccccc1[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)[*:1]
Cc1cc(CN2C(=O)[C@H]3CCCN3C(=O)[C@@H]2C)on1 Cc1cc(on1)[*:1] C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1C[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 CCCS(=O)(=O)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)[C@@H](C)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 CCC[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 Cc1nccn1[*:1] CCCS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC1=NN(c2ccc(C(=O)N3CCC(NS(C)(=O)=O)CC3)cc2)CC1 CS(=O)(=O)N[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
O=C(CNCC(F)(F)F)N[C@H]1CCN(c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] O=C(CNCC(F)(F)F)N[C@H]1CCN(C1=O)[*:1]
O=C(CNCC(F)(F)F)N[C@H]1CCN(c2c(F)cccc2F)C1=O FC(F)(F)C[*:1] O=C(CN[*:1])N[C@H]1CCN(C1=O)c1c(F)cccc1F
O=C(CNCC(F)(F)F)N[C@H]1CCN(c2c(F)cccc2F)C1=O FC(F)(F)CN[*:1] O=C(C[*:1])N[C@H]1CCN(C1=O)c1c(F)cccc1F
O=C(CNCC(F)(F)F)N[C@H]1CCN(c2c(F)cccc2F)C1=O FC(F)(F)CNC[*:1] O=C1[C@H](CCN1c1c(F)cccc1F)NC(=O)[*:1]
O=C(CNCC(F)(F)F)N[C@H]1CCN(c2c(F)cccc2F)C1=O FC(F)(F)[*:1] O=C(CNC[*:1])N[C@H]1CCN(C1=O)c1c(F)cccc1F
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@H](C)Nc3ccccc3)ccc21 c1ccc(cc1)[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)NC[C@H](C)N[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@H](C)Nc3ccccc3)ccc21 c1ccc(cc1)N[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)NC[C@H](C)[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@H](C)Nc3ccccc3)ccc21 C[C@H](Nc1ccccc1)[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)NC[*:1]
CCn1c2ccccc2c2cc(NC(=O)c3ccnc(-n4cncn4)c3)ccc21 c1ncn(n1)[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)c1ccnc(c1)[*:1]
OCCN1CC[NH+](Cc2cccc(O)c2)CC1 OCC[*:1] Oc1cccc(c1)C[NH+]1CCN(CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 Cc1ccc(cc1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
Cc1sc2ncn(CCC(=O)NCC(C)(C)C(N)=O)c(=O)c2c1C CC(C)(C(N)=O)[*:1] Cc1sc2ncn(CCC(=O)NC[*:1])c(=O)c2c1C
Cc1sc2ncn(CCC(=O)NCC(C)(C)C(N)=O)c(=O)c2c1C CC(C)(C[*:1])C(N)=O Cc1sc2ncn(CCC(=O)N[*:1])c(=O)c2c1C
Cc1sc2ncn(CCC(=O)NCC(C)(C)C(N)=O)c(=O)c2c1C NC(=O)[*:1] Cc1sc2ncn(CCC(=O)NCC(C)(C)[*:1])c(=O)c2c1C
CCCNC(=O)c1cccc(CNC(=O)Cc2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] CCCNC(=O)c1cccc(c1)CNC(=O)C[*:1]
CCCNC(=O)c1cccc(CNC(=O)Cc2ccc(F)c(F)c2)c1 CCCNC(=O)[*:1] O=C(Cc1ccc(F)c(F)c1)NCc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(CNC(=O)Cc2ccc(F)c(F)c2)c1 CCC[*:1] O=C(Cc1ccc(F)c(F)c1)NCc1cccc(c1)C(=O)N[*:1]
CCc1noc(CSCC(=O)Nc2ccc(C)cc2C)n1 CCc1noc(n1)[*:1] Cc1ccc(NC(=O)CSC[*:1])c(C)c1
Cc1ccc(N2C[C@H](C(=O)N(C)Cc3ccncc3)CCC2=O)cc1C c1cc(ccn1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N(C)C[*:1]
Cc1ccc(N2C[C@H](C(=O)N(C)Cc3ccncc3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] CN(Cc1ccncc1)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)N(C)Cc3ccncc3)CCC2=O)cc1C c1cc(ccn1)C[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N(C)[*:1]
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCCC[C@H]2C)cc1 CCN(CC)S(=O)(=O)[*:1] C[C@H](NC(=O)N1CCCC[C@H]1C)c1ccc(cc1)[*:1]
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CC(=O)Nc2ccccc21 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1C(=O)[C@@H]1CC(=O)Nc2ccccc21)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC2CC2)CC1 CC[S@@](=O)[*:1] O=C(N[C@H]1CCCC[C@@H]1[*:1])N1CC[NH+](CC1)CC1CC1
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC1)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC1)C[*:1]
CCn1nc(C)c(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1C CCn1nc(C)c(c1C)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)/C=C/c1ccccc1
CCn1nc(C)c(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1C C(=C[*:1])c1ccccc1 CCn1nc(C)c(CNC(=O)C2CCN(CC2)C(=O)[*:1])c1C
CCn1nc(C)c(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(CNC(=O)C2CCN(CC2)C(=O)C=C[*:1])c1C
Cc1ccc(O)c(NC(=O)c2ccnc(N(C)C)c2)c1 CN(C)[*:1] Cc1ccc(O)c(c1)NC(=O)c1ccnc(c1)[*:1]
COc1cc2c(cc1OC)[C@]13CCN4C(=O)C(=O)[C@@H](C[C@@H]41)[C@H]1[C@@H]3N2C(=O)C[C@H]1OCC(=O)[O-] O=C([O-])C[*:1] COc1cc2c(cc1OC)[C@]13CCN4C(=O)C(=O)[C@@H](C[C@@H]41)[C@H]1[C@@H]3N2C(=O)C[C@H]1O[*:1]
COc1cc2c(cc1OC)[C@]13CCN4C(=O)C(=O)[C@@H](C[C@@H]41)[C@H]1[C@@H]3N2C(=O)C[C@H]1OCC(=O)[O-] O=C([O-])[*:1] COc1cc2c(cc1OC)[C@]13CCN4C(=O)C(=O)[C@@H](C[C@@H]41)[C@H]1[C@@H]3N2C(=O)C[C@H]1OC[*:1]
NC(=O)[C@H]1CCC[C@H]1NC(=O)NCCc1ccccc1Cl Clc1ccccc1[*:1] NC(=O)[C@H]1CCC[C@H]1NC(=O)NCC[*:1]
NC(=O)[C@H]1CCC[C@H]1NC(=O)NCCc1ccccc1Cl NC(=O)[*:1] O=C(NCCc1ccccc1Cl)N[C@@H]1CCC[C@@H]1[*:1]
COc1ccccc1N1C[C@@H](C(=O)Nc2cccc3ccccc23)CC1=O COc1ccccc1[*:1] O=C(Nc1cccc2ccccc12)[C@H]1CC(=O)N(C1)[*:1]
CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(cc1)S[*:1]
CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
Cn1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)cn1 CC(C)(C)[*:1] Cn1cc(cn1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cn1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)cn1 Cn1cc(cn1)[*:1] CC(C)(C)[C@@H](NC(=O)[*:1])c1ccccc1
Cn1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)C(=O)N[C@@H](C(C)(C)C)[*:1]
COC(=O)Nc1cccc(NC(=O)NNc2ccccc2F)c1 COC(=O)N[*:1] O=C(NNc1ccccc1F)Nc1cccc(c1)[*:1]
COC(=O)Nc1cccc(NC(=O)NNc2ccccc2F)c1 Fc1ccccc1[*:1] COC(=O)Nc1cccc(c1)NC(=O)NN[*:1]
Cc1cc([C@H](C)NC(=O)c2cccc(CN3CCCC3=O)c2)c(C)s1 O=C1CCCN1[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)c1cccc(c1)C[*:1]
Cc1cc([C@H](C)NC(=O)c2cccc(CN3CCCC3=O)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)c1cccc(c1)CN1CCCC1=O)[*:1]
Cc1cc([C@H](C)NC(=O)c2cccc(CN3CCCC3=O)c2)c(C)s1 O=C1CCCN1C[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)c1cccc(c1)[*:1]
CCCCNS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C CCC[*:1] Cc1cc(cc(C)c1S(=O)(=O)NC[*:1])N1C(=O)CCS1(=O)=O
CCCCNS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C CCCC[*:1] Cc1cc(cc(C)c1S(=O)(=O)N[*:1])N1C(=O)CCS1(=O)=O
CCCCNS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C CCCCNS(=O)(=O)[*:1] Cc1cc(cc(C)c1[*:1])N1C(=O)CCS1(=O)=O
CCCCNS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C O=C1CCS(=O)(=O)N1[*:1] CCCCNS(=O)(=O)c1c(C)cc(cc1C)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc3c(c2)OCCO3)n2nc(CO)nc2N1 Cc1ccc(cc1)NC(=O)[*:1] CC1Nc2nc(CO)nn2[C@H](C=1[*:1])c1ccc2OCCOc2c1
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc3c(c2)OCCO3)n2nc(CO)nc2N1 c1cc2OCCOc2cc1[*:1] CC1Nc2nc(CO)nn2[C@@H](C=1C(=O)Nc1ccc(C)cc1)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc3c(c2)OCCO3)n2nc(CO)nc2N1 Cc1ccc(cc1)[*:1] CC1Nc2nc(CO)nn2[C@H](C=1C(=O)N[*:1])c1ccc2OCCOc2c1
Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 CC(C)O[*:1] Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(c1)[*:1]
Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 Cc1ccccc1[*:1] CC(C)Oc1cccc(c1)[C@@H](C)NC(=O)C(=O)N[*:1]
Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 CC(C)[*:1] Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1cccc(c1)O[*:1]
CC(C)c1cc(NC(=O)C[C@H](C)C(C)C)[nH]n1 CC(C)[*:1] CC(C)c1cc(NC(=O)C[C@H](C)[*:1])[nH]n1
CC(C)c1cc(NC(=O)C[C@H](C)C(C)C)[nH]n1 CC(C)[C@@H](C)[*:1] CC(C)c1cc(NC(=O)C[*:1])[nH]n1
CC(C)c1cc(NC(=O)C[C@H](C)C(C)C)[nH]n1 CC(C)[*:1] CC(C)[C@@H](C)CC(=O)Nc1cc(n[nH]1)[*:1]
COc1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccccc1CC(=O)Nc1ccc(cc1)[*:1]
Cc1nc(N[C@@H](CO)c2ccccc2)c2cc[nH]c2n1 c1ccc(cc1)[*:1] Cc1nc(N[C@@H](CO)[*:1])c2cc[nH]c2n1
CC[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc2c(c1)CC(=O)N2C Clc1cccnc1O[*:1] CC[C@@H]([NH2+]CC[*:1])c1ccc2c(c1)CC(=O)N2C
CC[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc2c(c1)CC(=O)N2C Clc1cccnc1[*:1] CC[C@@H]([NH2+]CCO[*:1])c1ccc2c(c1)CC(=O)N2C
C[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1nnc2n1CCC2 C1CC1[*:1] C[C@@H](NC(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1])c1nnc2CCCn21
C[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1nnc2n1CCC2 FC(F)(F)[*:1] C[C@@H](NC(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1)c1nnc2CCCn21
C[C@@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] C[C@@H](NC(=O)N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
COc1ccccc1NCC(=O)NNC(=O)c1cccc(C)c1C Cc1cccc(c1C)[*:1] COc1ccccc1NCC(=O)NNC(=O)[*:1]
COc1ccccc1NCC(=O)NNC(=O)c1cccc(C)c1C COc1ccccc1[*:1] Cc1cccc(C(=O)NNC(=O)CN[*:1])c1C
CCCOc1ccc(N2C(=O)C[C@@H](NCC#N)C2=O)cc1 CCC[*:1] N#CCN[C@@H]1CC(=O)N(C1=O)c1ccc(cc1)O[*:1]
CCCOc1ccc(N2C(=O)C[C@@H](NCC#N)C2=O)cc1 CCCO[*:1] N#CCN[C@@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
CCCOc1ccc(N2C(=O)C[C@@H](NCC#N)C2=O)cc1 N#CC[*:1] CCCOc1ccc(cc1)N1C(=O)C[C@@H](N[*:1])C1=O
CCCOc1ccc(N2C(=O)C[C@@H](NCC#N)C2=O)cc1 N#CCN[*:1] CCCOc1ccc(cc1)N1C(=O)C[C@@H](C1=O)[*:1]
C[C@@H]1CCC[C@](C[NH3+])([C@]2(O)CCCC[C@@H]2C(C)(C)C)C1 CC(C)(C)[*:1] C[C@@H]1CCC[C@@](C[NH3+])(C1)[C@]1(O)CCCC[C@H]1[*:1]
O=C([O-])c1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1O O=[N+]([O-])[*:1] O=C([O-])c1ccc(cc1O)Nc1c(c(=O)oc2ccccc12)[*:1]
O=C([O-])c1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1O O=C([O-])[*:1] O=c1oc2ccccc2c(Nc2ccc(c(O)c2)[*:1])c1[N+](=O)[O-]
Cc1ccc(/C=C/C(=O)NNC(=O)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(/C=C/C(=O)NNC(=O)[*:1])cc1
Cc1ccc(/C=C/C(=O)NNC(=O)c2cccc(Cl)c2)cc1 Cc1ccc(cc1)[*:1] O=C(C=C[*:1])NNC(=O)c1cccc(Cl)c1
CCC[C@H]([NH3+])c1ccn(Cc2ccn([C@@H](C)CC)n2)c1 CCC[*:1] CC[C@H](C)n1ccc(Cn2ccc(c2)[C@@H]([NH3+])[*:1])n1
CCC[C@H]([NH3+])c1ccn(Cc2ccn([C@@H](C)CC)n2)c1 CC[C@H](C)[*:1] CCC[C@H]([NH3+])c1ccn(c1)Cc1ccn(n1)[*:1]
COC[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] COC[C@H]1CCCN1C(=O)Nc1ccc(c(Cl)c1)[*:1]
COC[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 COC[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N1CCC[C@@H]1[*:1]
COc1cccc(N2CCN(CC(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 Cc1ccc(cc1Cl)[*:1] COc1cccc(c1)N1CCN(CC1)CC(=O)N[*:1]
COc1cccc(N2CCN(CC(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)CN1CCN(CC1)[*:1]
CC(=O)c1ccc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)cc1 CC(=O)[*:1] O=C(NC[C@@H](O)c1cccc(Cl)c1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)NC[C@@H](O)[*:1]
Cc1noc(C)c1[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1noc(C)c1[C@H](C)Nc1nc2sccn2c1[*:1]
Cc1noc(C)c1[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-] Cc1noc(C)c1[*:1] C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])[*:1]
CC(C)(C)Oc1ncccc1I CC(C)(C)[*:1] Ic1cccnc1O[*:1]
O=C(CCc1nc(-c2ccc(F)cc2)no1)Oc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(CCc1nc(no1)-c1ccc(F)cc1)O[*:1]
O=C(CCc1nc(-c2ccc(F)cc2)no1)Oc1cccc(Cl)c1Cl Fc1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])Oc1cccc(Cl)c1Cl
COc1ccc(C(=O)N/N=C/c2ccc(OC[C@@H]3COCCO3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(cc1)OC[C@@H]1COCCO1)[*:1]
CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(=O)c2ccc(C)nc21 O=[N+]([O-])[*:1] CCn1cc(C(=O)Nc2cc(ccc2OC)[*:1])c(=O)c2ccc(C)nc21
O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1ccc(F)nc1 Fc1ccc(cn1)[*:1] O=C(NC1(CCOCC1)c1ccc(F)cc1F)[*:1]
O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1ccc(F)nc1 Fc1ccc(c(F)c1)[*:1] O=C(NC1(CCOCC1)[*:1])c1ccc(F)nc1
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)c1ccco1 CC(C)(C)[*:1] C[C@](O)(CNC(=O)[C@@H]1CSCN1C(=O)[*:1])c1ccco1
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)c1ccco1 c1coc(c1)[*:1] CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)[*:1]
CN1CCO[C@H](CNC2=[NH+][C@H](c3ccccc3)CS2)C1 c1ccc(cc1)[*:1] CN1CCO[C@H](CNC2=[NH+][C@H](CS2)[*:1])C1
CC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)c1 CC(=O)[*:1] O=S(=O)(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1cccc(c1)[*:1]
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O O=[N+]([O-])[*:1] Cc1ncc(cc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] Cc1ncc(cc1C(=O)N[C@@H]1CCCN(C1=O)[*:1])[N+](=O)[O-]
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] Cc1ncc(cc1C(=O)N[C@@H]1CCCN(C[*:1])C1=O)[N+](=O)[O-]
C[C@H](NC(=O)NCC1([O-])CCC1)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] C[C@H](NC(=O)NCC1([O-])CCC1)c1cccc(c1)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)Cn1cccn1 CCS(=O)(=O)[*:1] C[C@H](Cn1cccn1)NC(=O)c1ccccc1[*:1]
CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)Cn1cccn1 c1cnn(c1)C[*:1] CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)Cn1cccn1 c1cnn(c1)[*:1] CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)C[*:1]
O=C(Cn1nc2ccccc2n1)N1CCn2nc(C[NH+]3CCCC3)cc2C1 c1ccc2nn(nc2c1)[*:1] O=C(C[*:1])N1CCn2nc(cc2C1)C[NH+]1CCCC1
Cc1ccccc1CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccccc3)cc21 Cc1ccccc1[*:1] O=C(NCc1ccccc1)c1ccc2c(c1)N(C[*:1])C(=O)c1ccccc1[S@@]2=O
Cc1ccccc1CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccccc3)cc21 c1ccc(cc1)C[*:1] Cc1ccccc1CN1C(=O)c2ccccc2[S@](=O)c2ccc(cc21)C(=O)N[*:1]
Cc1ccccc1CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccccc3)cc21 O=C(NCc1ccccc1)[*:1] Cc1ccccc1CN1C(=O)c2ccccc2[S@](=O)c2ccc(cc21)[*:1]
Cc1ccccc1CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccccc3)cc21 Cc1ccccc1C[*:1] O=C(NCc1ccccc1)c1ccc2c(c1)N(C(=O)c1ccccc1[S@@]2=O)[*:1]
Cc1ccccc1CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccccc3)cc21 c1ccc(cc1)[*:1] Cc1ccccc1CN1C(=O)c2ccccc2[S@](=O)c2ccc(cc21)C(=O)NC[*:1]
CSc1ncc(C(=O)N2CCCC[C@@H]2C)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1ncc(C(=O)N2CCCC[C@@H]2C)n1[*:1]
COc1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)C)cc4)CC3=O)Nc3ncnn32)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H]1C2C(=O)C[C@H](CC=2Nc2ncnn21)c1ccc(cc1)[*:1]
COc1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)C)cc4)CC3=O)Nc3ncnn32)cc1 CC(C)c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C2C(=O)C[C@@H](CC=2Nc2ncnn21)[*:1]
COc1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)C)cc4)CC3=O)Nc3ncnn32)cc1 COc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2[*:1]
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cccnc1F Fc1ncccc1[*:1] CN(Cc1cc(n[nH]1)C(C)(C)C)C(=O)N[*:1]
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cccnc1F CC(C)(C)[*:1] CN(Cc1cc(n[nH]1)[*:1])C(=O)Nc1cccnc1F
CCOc1cccc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1 CCO[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1cccc(c1)[*:1]
CCOc1ccc(NC(=O)N2CCc3nc(NC(=O)[C@@H]4CCCO4)sc3C2)cc1 CCO[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)Nc1ccc(cc1)[*:1])[C@@H]1CCCO1
CCOc1ccc(NC(=O)N2CCc3nc(NC(=O)[C@@H]4CCCO4)sc3C2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)N[*:1])[C@@H]1CCCO1
Cc1nc(-c2cccc(C(=O)Nc3ccc4c(c3)COC4)c2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1ccc2COCc2c1)c1cccc(c1)[*:1]
O=C(/C=C/c1ccnc(Cl)c1)OCCc1nc2ccccc2s1 Clc1cc(ccn1)[*:1] O=C(C=C[*:1])OCCc1nc2ccccc2s1
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(-c2cccnc2)on1 C1CO[C@H](C1)CO[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(on1)-c1cccnc1
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(-c2cccnc2)on1 c1cncc(c1)[*:1] O=C(Nc1cccc(c1)OC[C@H]1CCCO1)c1cc(on1)[*:1]
CCCN[C@@]1(C#N)CC[C@H](Oc2cc(C)ccc2C)C1 CCC[*:1] Cc1ccc(C)c(c1)O[C@H]1CC[C@@](C#N)(C1)N[*:1]
CCCN[C@@]1(C#N)CC[C@H](Oc2cc(C)ccc2C)C1 CCCN[*:1] Cc1ccc(C)c(c1)O[C@H]1CC[C@](C#N)(C1)[*:1]
CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 Clc1ccc(s1)[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc(cs1)[*:1]
N#Cc1c([C@@H]2CCCO2)nn(-c2ccc(C(F)(F)F)cn2)c1N FC(F)(F)[*:1] N#Cc1c(nn(-c2ccc(cn2)[*:1])c1N)[C@@H]1CCCO1
COC(=O)c1cccc(Nc2nn3c(=O)c4ccc(F)cc4nc3s2)c1 COC(=O)[*:1] O=c1c2ccc(F)cc2nc2sc(nn12)Nc1cccc(c1)[*:1]
C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@@H](OC(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)[*:1]
Cc1cc(CC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)no1 C[C@@H](c1ccccc1)[*:1] Cc1cc(CC(=O)NCC2(CCCC2)[NH2+][*:1])no1
Cc1cc(CC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)no1 Cc1cc(no1)[*:1] C[C@H]([NH2+]C1(CCCC1)CNC(=O)C[*:1])c1ccccc1
Cc1cc(CC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)no1 Cc1cc(C[*:1])no1 C[C@H]([NH2+]C1(CCCC1)CNC(=O)[*:1])c1ccccc1
Cc1cc(CC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)no1 c1ccc(cc1)[*:1] Cc1cc(CC(=O)NCC2(CCCC2)[NH2+][C@@H](C)[*:1])no1
O=C(C1=C(c2ccc3c(c2)OCCO3)N=NC1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)c1ccc(cc1)C[*:1] O=C(C1CN=NC=1c1ccc2OCCOc2c1)N1CCN(CC1)[*:1]
O=C(C1=C(c2ccc3c(c2)OCCO3)N=NC1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)c1ccc(cc1)[*:1] O=C(C1CN=NC=1c1ccc2OCCOc2c1)N1CCN(CC1)C[*:1]
O=C(C1=C(c2ccc3c(c2)OCCO3)N=NC1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 c1cc2OCCOc2cc1[*:1] O=C(C1CN=NC=1[*:1])N1CCN(CC1)Cc1ccc(cc1)C(F)(F)F
O=C(C1=C(c2ccc3c(c2)OCCO3)N=NC1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] O=C(C1CN=NC=1c1ccc2OCCOc2c1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
FC(F)(F)c1cccc(COc2cccc(-n3cnnn3)c2)c1 c1nnnn1[*:1] FC(F)(F)c1cccc(c1)COc1cccc(c1)[*:1]
FC(F)(F)c1cccc(COc2cccc(-n3cnnn3)c2)c1 FC(F)(F)[*:1] c1cc(cc(c1)-n1cnnn1)OCc1cccc(c1)[*:1]
CCc1ccc(C2=CCN(C(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)CC2)cc1 CCc1ccc(cc1)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)N1CC=C(CC1)[*:1]
CCCOc1ccccc1C(=O)Oc1cccc(C(=O)[O-])c1 CCCO[*:1] O=C([O-])c1cccc(c1)OC(=O)c1ccccc1[*:1]
CCCOc1ccccc1C(=O)Oc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] CCCOc1ccccc1C(=O)Oc1cccc(c1)[*:1]
CCCOc1ccccc1C(=O)Oc1cccc(C(=O)[O-])c1 CCC[*:1] O=C([O-])c1cccc(c1)OC(=O)c1ccccc1O[*:1]
C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 O=[N+]([O-])[*:1] C[C@@H](NCc1cccc(c1)[*:1])c1ccc2ccccc2c1
C[NH2+][C@@H](Cc1nn(C)c2ccccc12)C(OC)OC COC(OC)[*:1] C[NH2+][C@@H](Cc1nn(C)c2ccccc12)[*:1]
CNS(=O)(=O)CC(=O)N[C@H](C#N)c1cccc(Cl)c1 CNS(=O)(=O)[*:1] N#C[C@@H](NC(=O)C[*:1])c1cccc(Cl)c1
CNS(=O)(=O)CC(=O)N[C@H](C#N)c1cccc(Cl)c1 CNS(=O)(=O)C[*:1] N#C[C@@H](NC(=O)[*:1])c1cccc(Cl)c1
CN(Cc1cccnc1)C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CN(Cc1cccnc1)C(=O)[C@](C)(N)[*:1]
CN(Cc1cccnc1)C(=O)[C@](C)(N)C(F)(F)F c1cncc(c1)[*:1] CN(C[*:1])C(=O)[C@](C)(N)C(F)(F)F
CCS[C@@H](C(=O)NCc1sccc1CC)C(C)C CCS[*:1] CCc1ccsc1CNC(=O)[C@@H](C(C)C)[*:1]
CCS[C@@H](C(=O)NCc1sccc1CC)C(C)C CC(C)[*:1] CCS[C@@H](C(=O)NCc1sccc1CC)[*:1]
CCCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] CCCC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CCCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 CCC[*:1] O=C(N[C@H]1CCC[C@H](C1)C(F)(F)F)[*:1]
CC(C)(C)Oc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)N(CCO)C[*:1]
CC(C)(C)Oc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1 OCC[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)N(Cc1ccccc1)[*:1]
CC(C)(C)Oc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1 CC(C)(C)[*:1] O=C(c1ccc(cc1)O[*:1])N(CCO)Cc1ccccc1
CC(C)(C)Oc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)N(CCO)[*:1]
CC(C)(C)Oc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1 CC(C)(C)O[*:1] O=C(c1ccc(cc1)[*:1])N(CCO)Cc1ccccc1
Cc1ccn2cc(-c3ccc(NC(=O)C4CCOCC4)cc3)nc2c1 C1CC(CCO1)[*:1] Cc1ccn2cc(nc2c1)-c1ccc(cc1)NC(=O)[*:1]
CCOC(=O)c1ccc(CSc2nc(C)nc3c2CCC3)cc1 CCOC(=O)[*:1] Cc1nc2CCCc2c(n1)SCc1ccc(cc1)[*:1]
Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 Cc1cccc(c1)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
Cc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)on1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3C[*:1])on1
Cc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)on1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3[*:1])on1
Cc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)on1 Cc1cc(NC(=O)[*:1])on1 Cc1cc(c2c(C)nn(Cc3ccccc3)c2n1)[*:1]
Cc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)on1 Cc1cc(on1)[*:1] Cc1cc(C(=O)N[*:1])c2c(C)nn(Cc3ccccc3)c2n1
Cc1ccccc1O[C@@H](C)C(=O)Oc1ccccc1C(=O)[O-] Cc1ccccc1[*:1] C[C@H](O[*:1])C(=O)Oc1ccccc1C(=O)[O-]
Cc1ccccc1O[C@@H](C)C(=O)Oc1ccccc1C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1O[C@@H](C)C(=O)Oc1ccccc1[*:1]
C#CCNC(=O)c1ccccc1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 C#CC[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)Nc1ccccc1C(=O)N[*:1]
C#CCNC(=O)c1ccccc1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 C#CCNC(=O)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)Nc1ccccc1[*:1]
Cc1cc(C#N)ccc1S(=O)(=O)N(C)Cc1nccs1 c1csc(C[*:1])n1 Cc1cc(C#N)ccc1S(=O)(=O)N(C)[*:1]
Cc1cc(C#N)ccc1S(=O)(=O)N(C)Cc1nccs1 c1csc(n1)[*:1] Cc1cc(C#N)ccc1S(=O)(=O)N(C)C[*:1]
N#C[C@@H](NC(=O)c1coc(Br)c1)c1ccc(Cl)c(Cl)c1 Brc1cc(co1)[*:1] N#C[C@@H](NC(=O)[*:1])c1ccc(Cl)c(Cl)c1
C[C@@H]1CCCCN1C(=O)COC(=O)c1cccn1C Cn1cccc1[*:1] C[C@@H]1CCCCN1C(=O)COC(=O)[*:1]
C#CCOc1cc(CNc2cnccc2C#N)ccc1OC C#CCO[*:1] COc1ccc(cc1[*:1])CNc1cnccc1C#N
C#CCOc1cc(CNc2cnccc2C#N)ccc1OC C#CC[*:1] COc1ccc(cc1O[*:1])CNc1cnccc1C#N
Cc1ocnc1CNC(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 Cc1ocnc1C[*:1] O=C(Cn1cccn1)Nc1cccc(c1)CNC(=O)N[*:1]
Cc1ocnc1CNC(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 c1cnn(c1)C[*:1] Cc1ocnc1CNC(=O)NCc1cccc(c1)NC(=O)[*:1]
Cc1ocnc1CNC(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 c1cnn(c1)[*:1] Cc1ocnc1CNC(=O)NCc1cccc(c1)NC(=O)C[*:1]
Cc1ocnc1CNC(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 O=C(Cn1cccn1)N[*:1] Cc1ocnc1CNC(=O)NCc1cccc(c1)[*:1]
Cc1ocnc1CNC(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 Cc1ocnc1[*:1] O=C(Cn1cccn1)Nc1cccc(c1)CNC(=O)NC[*:1]
C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)Cn3c(cc4occc43)C(=O)N2Cc2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)Cn3c(cc4occc43)C(=O)N2C[*:1])[C@@H]1C
C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)Cn3c(cc4occc43)C(=O)N2Cc2ccccc2)[C@@H]1C c1ccc(cc1)C[*:1] C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)Cn3c(cc4occc43)C(=O)N2[*:1])[C@@H]1C
C[C@H](Cn1cncn1)NC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](Cn1cncn1)NC(=O)Nc1ccc(cc1)CO[*:1]
C[C@H](Cn1cncn1)NC(=O)Nc1ccc(COc2ccccc2)cc1 c1ncn(C[*:1])n1 C[C@H](NC(=O)Nc1ccc(cc1)COc1ccccc1)[*:1]
C[C@H](Cn1cncn1)NC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)O[*:1] C[C@H](Cn1cncn1)NC(=O)Nc1ccc(cc1)C[*:1]
C[C@H](Cn1cncn1)NC(=O)Nc1ccc(COc2ccccc2)cc1 c1ncn(n1)[*:1] C[C@H](C[*:1])NC(=O)Nc1ccc(cc1)COc1ccccc1
C[C@H](Cn1cncn1)NC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)OC[*:1] C[C@H](Cn1cncn1)NC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)c2nn(-c3ccc(OCC)cc3)c(=O)c3ccccc23)cc1 CCOc1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1nc(C(=O)N[*:1])c2ccccc2c1=O
CCOc1ccc(NC(=O)c2nn(-c3ccc(OCC)cc3)c(=O)c3ccccc23)cc1 CCOc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
CCOc1ccc(NC(=O)c2nn(-c3ccc(OCC)cc3)c(=O)c3ccccc23)cc1 CCO[*:1] CCOc1ccc(cc1)NC(=O)c1nn(-c2ccc(cc2)[*:1])c(=O)c2ccccc12
CCOc1ccc(NC(=O)c2nn(-c3ccc(OCC)cc3)c(=O)c3ccccc23)cc1 CCO[*:1] CCOc1ccc(cc1)-n1nc(C(=O)Nc2ccc(cc2)[*:1])c2ccccc2c1=O
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] C[C@H]1C[C@H]1C(=O)Nc1cccc(c1)[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] C[C@H]1C[C@H]1C(=O)Nc1cccc(c1)C(=O)N[*:1]
C[NH+](CCNC(=O)NCc1cn(-c2ccccc2)nn1)C1CCCC1 c1ccc(cc1)[*:1] C[NH+](CCNC(=O)NCc1cn(nn1)[*:1])C1CCCC1
Cc1cccc(C(=O)N[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C(C)C)c1 O=S(=O)(N1CCCC1)[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)Nc1cccc(c1)[*:1])C(C)C
Cc1cccc(C(=O)N[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C(C)C)c1 Cc1cccc(c1)C(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCC1)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCC1)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCC1
CC[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1[S@@](=O)CCOC COC[*:1] CC[NH2+][C@H]1c2cc(ccc2C[C@@H]1[S@@](=O)C[*:1])OC
CC[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1[S@@](=O)CCOC COCC[S@](=O)[*:1] CC[NH2+][C@H]1c2cc(ccc2C[C@H]1[*:1])OC
CC[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1[S@@](=O)CCOC COCC[*:1] CC[NH2+][C@H]1c2cc(ccc2C[C@@H]1[S@@](=O)[*:1])OC
CC(C)c1nc(C[NH2+]Cc2csc(Br)c2)cs1 CC(C)[*:1] Brc1cc(cs1)C[NH2+]Cc1csc(n1)[*:1]
CCc1nnc(-c2cc3ccccc3n2Cc2ccc(C(F)(F)F)cc2)o1 FC(F)(F)[*:1] CCc1nnc(o1)-c1cc2ccccc2n1Cc1ccc(cc1)[*:1]
CCc1nnc(-c2cc3ccccc3n2Cc2ccc(C(F)(F)F)cc2)o1 CCc1nnc(o1)[*:1] FC(F)(F)c1ccc(cc1)Cn1c(cc2ccccc21)[*:1]
COc1ccc(OC)c(/C=C/C(=O)N[C@H](C)c2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1ccc(OC)c(/C=C/C(=O)N[C@H](C)[*:1])c1
FC(F)(F)c1ccccc1N[C@H]1CCO[C@]2(CCSC2)C1 FC(F)(F)[*:1] c1ccc(c(c1)N[C@H]1CCO[C@]2(CCSC2)C1)[*:1]
CC1(C)C(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1(C)C FC(F)(F)O[*:1] CC1(C)C(C[NH2+]Cc2ccc(cc2)[*:1])C1(C)C
CC1(C)C(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1(C)C FC(F)(F)[*:1] CC1(C)C(C[NH2+]Cc2ccc(cc2)O[*:1])C1(C)C
CC1(C)C(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1(C)C CC1(C)C(C1(C)C)[*:1] FC(F)(F)Oc1ccc(cc1)C[NH2+]C[*:1]
C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCC([NH+](C)C)CC1 Fc1ccc(cc1)[*:1] C[C@H](SCC(=O)N[*:1])C(=O)N1CCC(CC1)[NH+](C)C
Cc1cc(C)n2c(C[NH+]3CCC(c4ccnn4C)CC3)cnc2n1 Cn1nccc1[*:1] Cc1cc(C)n2c(cnc2n1)C[NH+]1CCC(CC1)[*:1]
C[C@H](c1ccncc1)[C@H]([NH3+])CCc1ccccc1 c1cc(ccn1)[*:1] C[C@H]([C@H]([NH3+])CCc1ccccc1)[*:1]
C[C@H](c1ccncc1)[C@H]([NH3+])CCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](c1ccncc1)[C@H]([NH3+])CC[*:1]
O=C(C#Cc1ccccc1)NCc1cccc(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] O=C(C#Cc1ccccc1)NCc1cccc(c1)[*:1]
O=C(C#Cc1ccccc1)NCc1cccc(OCC(F)(F)F)c1 FC(F)(F)[*:1] O=C(C#Cc1ccccc1)NCc1cccc(c1)OC[*:1]
O=C(C#Cc1ccccc1)NCc1cccc(OCC(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(C#C[*:1])NCc1cccc(c1)OCC(F)(F)F
O=C(C#Cc1ccccc1)NCc1cccc(OCC(F)(F)F)c1 C(#C[*:1])c1ccccc1 O=C(NCc1cccc(c1)OCC(F)(F)F)[*:1]
O=C(C#Cc1ccccc1)NCc1cccc(OCC(F)(F)F)c1 FC(F)(F)C[*:1] O=C(C#Cc1ccccc1)NCc1cccc(c1)O[*:1]
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1csc(-c2ccccc2)n1 Fc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)Cc1csc(n1)-c1ccccc1
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1csc(-c2ccccc2)n1 Fc1ccccc1O[*:1] C[C@@H](C(=O)NNC(=O)Cc1csc(n1)-c1ccccc1)[*:1]
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1csc(n1)[*:1]
CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 CC(C)(C)[*:1] O=C(CCNC(=O)O[*:1])N[C@@H]1CC[C@@H]2CCC[C@@H]2C1
Cc1ccc(C)c(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)c1 c1ccc(nc1)[*:1] Cc1ccc(C)c(c1)-n1ccc2nc3ccn(c(=O)c3cc2c1=O)[*:1]
Cc1ccc(C)c(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)c1 Cc1ccc(C)c(c1)[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1-c1ccccn1)[*:1]
O=C(/C=N/O)Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] O=C(/C=N/O)Nc1cccc(c1)[*:1]
C[C@@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] C[C@@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1nc(no1)[*:1]
CC(=O)N1CC[N+](=CCC(=O)Nc2ccc(-c3nnn(C)n3)cc2)CC1 Cn1nnc(n1)[*:1] CC(=O)N1CC[N+](=CCC(=O)Nc2ccc(cc2)[*:1])CC1
C[NH2+][C@H](Cc1nccs1)c1cccc(C)c1 c1csc(n1)[*:1] C[NH2+][C@H](C[*:1])c1cccc(C)c1
O=C(CSc1ncnc2sccc12)c1c[nH]c(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] O=C(CSc1ncnc2sccc12)c1c[nH]c(c1)[*:1]
C[C@H](C(=O)NCc1ccc(CN2CCCC2=O)cc1)n1cccn1 O=C1CCCN1[*:1] C[C@H](C(=O)NCc1ccc(cc1)C[*:1])n1cccn1
C[C@H](C(=O)NCc1ccc(CN2CCCC2=O)cc1)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)NCc1ccc(cc1)CN1CCCC1=O)[*:1]
C[C@H](C(=O)NCc1ccc(CN2CCCC2=O)cc1)n1cccn1 O=C1CCCN1C[*:1] C[C@H](C(=O)NCc1ccc(cc1)[*:1])n1cccn1
COc1ccc([C@H](C)NC(=O)c2cc(C)n(C3CC3)c2C)c(OC)c1 C1CC1[*:1] COc1ccc(c(c1)OC)[C@H](C)NC(=O)c1cc(C)n(c1C)[*:1]
Cc1ccc(C(=O)CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)s1 Cc1ccc(s1)[*:1] C[C@H]1C(=O)N(CC(=O)[*:1])C(=O)N1c1ccccc1
Cc1ccc(C(=O)CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)CN1C(=O)[C@H](C)N(C1=O)[*:1]
COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)cc1 Fc1ccc(nc1)[*:1] COc1ccc(cc1)CC[C@H](C)[NH2+][C@@H](C)[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cc(CC(C)C)n[nH]2)c1 Cc1cnn(c1)[*:1] CC(C)Cc1cc([nH]n1)C(=O)N1CCCC[C@H]1C[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cc(CC(C)C)n[nH]2)c1 Cc1cnn(c1)C[*:1] CC(C)Cc1cc([nH]n1)C(=O)N1CCCC[C@H]1[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cc(CC(C)C)n[nH]2)c1 CC(C)C[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)c1cc(n[nH]1)[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cc(CC(C)C)n[nH]2)c1 CC(C)[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)c1cc(C[*:1])n[nH]1
CCn1c(-c2ccc(OC)cc2)nn(CN2C[C@H](C)O[C@@H](C)C2)c1=S COc1ccc(cc1)[*:1] CCn1c(nn(CN2C[C@H](C)O[C@@H](C)C2)c1=S)[*:1]
C[C@H](NC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)C(=O)NC1CC1)c1ccccc1[*:1]
C[C@H](NC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1ccccc1C(F)(F)F O=C(NC1CC1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccccc1C(F)(F)F
C[C@H](NC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1ccccc1C(F)(F)F C1CC1[*:1] C[C@H](NC(=O)Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1C(F)(F)F
Cc1cccc2c1[nH]c1nc(SCC(=O)Nc3ccc(Cl)cc3)nnc12 Clc1ccc(cc1)[*:1] Cc1cccc2c1[nH]c1nc(nnc12)SCC(=O)N[*:1]
CC[C@H](CCc1ccccn1)[C@@H](C)O C[C@@H](O)[*:1] CC[C@H](CCc1ccccn1)[*:1]
Cc1ccnc(Nc2nc(CC(=O)NCCc3ccccc3)cs2)c1 Cc1ccnc(c1)[*:1] O=C(Cc1csc(n1)N[*:1])NCCc1ccccc1
Cc1ccnc(Nc2nc(CC(=O)NCCc3ccccc3)cs2)c1 c1ccc(cc1)C[*:1] Cc1ccnc(c1)Nc1nc(cs1)CC(=O)NC[*:1]
Cc1ccnc(Nc2nc(CC(=O)NCCc3ccccc3)cs2)c1 c1ccc(cc1)[*:1] Cc1ccnc(c1)Nc1nc(cs1)CC(=O)NCC[*:1]
Cc1ccnc(Nc2nc(CC(=O)NCCc3ccccc3)cs2)c1 Cc1ccnc(c1)N[*:1] O=C(Cc1csc(n1)[*:1])NCCc1ccccc1
Cc1ccnc(Nc2nc(CC(=O)NCCc3ccccc3)cs2)c1 c1ccc(cc1)CC[*:1] Cc1ccnc(c1)Nc1nc(cs1)CC(=O)N[*:1]
CCOc1cc2c(cc1CNC(=O)Cc1c(C)nc3nc(N)nn3c1C)O[C@H](C)C2 CCO[*:1] Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1cc2O[C@H](C)Cc2cc1[*:1]
CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1F C[S@](=O)[*:1] CC(C)Oc1ccc(cc1F)C[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1F CC(C)O[*:1] C[C@H]([NH2+]Cc1ccc(c(F)c1)[*:1])c1ccc(cc1)[S@](C)=O
CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1F CC(C)[*:1] C[C@H]([NH2+]Cc1ccc(O[*:1])c(F)c1)c1ccc(cc1)[S@](C)=O
Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCc2ccc(F)cc2)on1 Fc1ccc(cc1)[*:1] Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NC[*:1])on1
Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCc2ccc(F)cc2)on1 Cc1cc(C[*:1])on1 C[C@@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)[*:1]
Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)NCc2ccc(F)cc2)on1 Cc1cc(on1)[*:1] C[C@@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)C[*:1]
CCCC1(CCC)C[NH+]([C@@H](C)[C@@H]2CCC[NH2+]C2)C1 CCC[*:1] CCCC1(C[NH+](C1)[C@@H](C)[C@@H]1CCC[NH2+]C1)[*:1]
CNC(=O)Cc1ccc(NC(=O)c2cncc(Br)c2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cncc(Br)c1
CNC(=O)Cc1ccc(NC(=O)c2cncc(Br)c2)cc1 Brc1cncc(c1)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CNC(=O)Cc1ccc(NC(=O)c2cncc(Br)c2)cc1 CNC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1cncc(Br)c1
Cc1cc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c2c(C)nn(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c2c(C)nn(c2n1)[*:1]
Cc1cc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c2c(C)nn(-c3ccccc3)c2n1 Cn1c(cc(=O)n(C)c1=O)[*:1] Cc1cc(C(=O)N[*:1])c2c(C)nn(-c3ccccc3)c2n1
Cc1cnc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 FC(F)(F)[*:1] Cc1cnc(cn1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cc1ccc(CCNC(=O)C[NH+]2CCNC(=O)C2)s1 Cc1ccc(s1)[*:1] O=C1C[NH+](CCN1)CC(=O)NCC[*:1]
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2CCCc2c1)[*:1]
COC(=O)c1cccc(CNC2(C(N)=O)CCCC2)c1 NC(=O)[*:1] COC(=O)c1cccc(c1)CNC1(CCCC1)[*:1]
COC(=O)c1cccc(CNC2(C(N)=O)CCCC2)c1 COC(=O)[*:1] NC(=O)C1(CCCC1)NCc1cccc(c1)[*:1]
C=CCSc1nnc2c(n1)O[C@H](c1cccnc1)N(C(C)=O)c1ccccc1-2 C=CCS[*:1] CC(=O)N1c2ccccc2-c2nnc(nc2O[C@@H]1c1cccnc1)[*:1]
C=CCSc1nnc2c(n1)O[C@H](c1cccnc1)N(C(C)=O)c1ccccc1-2 C=CC[*:1] CC(=O)N1c2ccccc2-c2nnc(nc2O[C@@H]1c1cccnc1)S[*:1]
C=CCSc1nnc2c(n1)O[C@H](c1cccnc1)N(C(C)=O)c1ccccc1-2 c1cncc(c1)[*:1] C=CCSc1nnc2-c3ccccc3N(C(C)=O)[C@@H](Oc2n1)[*:1]
CCO[C@@H]1C[C@@H]1/C([O-])=C(/C#N)C(=O)NC CCO[*:1] CNC(=O)/C(C#N)=C(/[O-])[C@H]1C[C@H]1[*:1]
CCO[C@@H]1C[C@@H]1/C([O-])=C(/C#N)C(=O)NC CNC(=O)[*:1] CCO[C@@H]1C[C@@H]1C([O-])=C(C#N)[*:1]
O=S(=O)(c1ccc(Cl)cc1)c1cnc2cc3c(cc2c1N1CCOCC1)OCCO3 Clc1ccc(cc1)[*:1] O=S(=O)(c1cnc2cc3OCCOc3cc2c1N1CCOCC1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)c1cnc2cc3c(cc2c1N1CCOCC1)OCCO3 O=S(=O)(c1ccc(Cl)cc1)[*:1] c1nc2cc3OCCOc3cc2c(c1[*:1])N1CCOCC1
O=S(=O)(c1ccc(Cl)cc1)c1cnc2cc3c(cc2c1N1CCOCC1)OCCO3 C1CN(CCO1)[*:1] O=S(=O)(c1ccc(Cl)cc1)c1cnc2cc3OCCOc3cc2c1[*:1]
CC[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)c1ccc2OCCOc2c1)[*:1]
C[C@H](Nc1ncnc(N(C)Cc2ccccc2)c1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ncnc(c1[N+](=O)[O-])N(C)C[*:1])c1ccccc1
C[C@H](Nc1ncnc(N(C)Cc2ccccc2)c1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ncnc(c1[N+](=O)[O-])N(C)Cc1ccccc1)[*:1]
C[C@H](Nc1ncnc(N(C)Cc2ccccc2)c1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Nc1ncnc(c1[N+](=O)[O-])N(C)[*:1])c1ccccc1
C[C@H](Nc1ncnc(N(C)Cc2ccccc2)c1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] C[C@H](Nc1ncnc(c1[*:1])N(C)Cc1ccccc1)c1ccccc1
C[C@H](Nc1ncnc(N(C)Cc2ccccc2)c1[N+](=O)[O-])c1ccccc1 C[C@H](N[*:1])c1ccccc1 CN(Cc1ccccc1)c1ncnc(c1[N+](=O)[O-])[*:1]
C[C@H](Nc1ncnc(N(C)Cc2ccccc2)c1[N+](=O)[O-])c1ccccc1 CN(Cc1ccccc1)[*:1] C[C@H](Nc1ncnc(c1[N+](=O)[O-])[*:1])c1ccccc1
C[C@H](Nc1ncnc(N(C)Cc2ccccc2)c1[N+](=O)[O-])c1ccccc1 C[C@H](c1ccccc1)[*:1] CN(Cc1ccccc1)c1ncnc(N[*:1])c1[N+](=O)[O-]
COC(=O)CSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(C[C@@H](C)CC1=O)N2 COC(=O)CS[*:1] C[C@H]1CC(=O)C2=C(C1)Nc1nc(nn1[C@H]2c1cccc(O)c1)[*:1]
COC(=O)CSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(C[C@@H](C)CC1=O)N2 Oc1cccc(c1)[*:1] COC(=O)CSc1nc2NC3C[C@@H](C)CC(=O)C=3[C@H](n2n1)[*:1]
COC(=O)CSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(C[C@@H](C)CC1=O)N2 COC(=O)[*:1] C[C@H]1CC(=O)C2=C(C1)Nc1nc(nn1[C@H]2c1cccc(O)c1)SC[*:1]
COC(=O)CSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(C[C@@H](C)CC1=O)N2 COC(=O)C[*:1] C[C@H]1CC(=O)C2=C(C1)Nc1nc(nn1[C@H]2c1cccc(O)c1)S[*:1]
NC(=O)CCn1ccc(NC(=O)C2CCC2)n1 NC(=O)CC[*:1] O=C(Nc1ccn(n1)[*:1])C1CCC1
NC(=O)CCn1ccc(NC(=O)C2CCC2)n1 NC(=O)C[*:1] O=C(Nc1ccn(C[*:1])n1)C1CCC1
NC(=O)CCn1ccc(NC(=O)C2CCC2)n1 NC(=O)[*:1] O=C(Nc1ccn(CC[*:1])n1)C1CCC1
NC(=O)CCn1ccc(NC(=O)C2CCC2)n1 C1CC(C1)[*:1] NC(=O)CCn1ccc(n1)NC(=O)[*:1]
Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1F Cc1ccc(cc1F)[*:1] O=C(CSc1nccn2nc(cc12)-c1ccc(F)cc1)N[*:1]
Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1F Fc1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)CSc1nccn2nc(cc12)[*:1]
CCN(CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2)c1ccccc1 CCN(C[*:1])c1ccccc1 O=C(NC[*:1])c1ccc2S[C@H](C(=O)Nc2c1)N1CCOCC1
CCN(CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2)c1ccccc1 c1ccc(cc1)[*:1] CCN(CCNC(=O)c1ccc2S[C@H](C(=O)Nc2c1)N1CCOCC1)[*:1]
CCN(CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2)c1ccccc1 CCN(c1ccccc1)[*:1] O=C(NCC[*:1])c1ccc2S[C@H](C(=O)Nc2c1)N1CCOCC1
CCN(CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2)c1ccccc1 C1CN(CCO1)[*:1] CCN(CCNC(=O)c1ccc2S[C@@H](C(=O)Nc2c1)[*:1])c1ccccc1
C=CCN(C(=O)[C@@H]([NH3+])c1c(C)n[nH]c1C)C1CCCC1 C1CCC(C1)[*:1] C=CCN(C(=O)[C@@H]([NH3+])c1c(C)n[nH]c1C)[*:1]
C=CCN(C(=O)[C@@H]([NH3+])c1c(C)n[nH]c1C)C1CCCC1 C=CC[*:1] Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N(C1CCCC1)[*:1]
Cc1ccccc1OCC(=O)N(CCC(F)(F)F)C1CCC1 Cc1ccccc1[*:1] O=C(CO[*:1])N(CCC(F)(F)F)C1CCC1
Cc1ccccc1OCC(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] Cc1ccccc1OCC(=O)N(C[*:1])C1CCC1
Cc1ccccc1OCC(=O)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] Cc1ccccc1OCC(=O)N(CCC(F)(F)F)[*:1]
Cc1ccccc1OCC(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] Cc1ccccc1OCC(=O)N(C1CCC1)[*:1]
Cc1ccccc1OCC(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] Cc1ccccc1OCC(=O)N(CC[*:1])C1CCC1
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c(F)cccc1F Fc1cccc(F)c1[*:1] C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[*:1]
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c(F)cccc1F N#Cc1ccc(cc1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Cc1c(F)cccc1F
CC(=O)N1CCCc2ccc(NC(=O)COc3ccccc3)cc21 c1ccc(cc1)OC[*:1] CC(=O)N1CCCc2ccc(cc21)NC(=O)[*:1]
CC(=O)N1CCCc2ccc(NC(=O)COc3ccccc3)cc21 c1ccc(cc1)O[*:1] CC(=O)N1CCCc2ccc(cc21)NC(=O)C[*:1]
CC(=O)N1CCCc2ccc(NC(=O)COc3ccccc3)cc21 c1ccc(cc1)[*:1] CC(=O)N1CCCc2ccc(cc21)NC(=O)CO[*:1]
CC(C)Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 CC(C)O[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])C(O)(c1ccccc1)c1ccccc1
CC(C)Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)[*:1])cc1
CC(C)Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 CC(C)[*:1] O=C(N/N=C/c1ccc(cc1)O[*:1])C(O)(c1ccccc1)c1ccccc1
Nc1c(Nc2cccnc2)ncnc1Nc1ccc2c(c1)OCCO2 c1cncc(c1)[*:1] Nc1c(ncnc1N[*:1])Nc1ccc2OCCOc2c1
Nc1c(Nc2cccnc2)ncnc1Nc1ccc2c(c1)OCCO2 c1cncc(c1)N[*:1] Nc1c(ncnc1[*:1])Nc1ccc2OCCOc2c1
CC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 c1csc(c1)[*:1] CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 O=C(N[*:1])c1cccs1 CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(C)c2c(C)c(C(=O)NCc3ccccc3-n3ccnc3C)oc12 Cc1nccn1[*:1] Cc1ccc(C)c2c(C)c(oc12)C(=O)NCc1ccccc1[*:1]
C[C@@H](Sc1nc2ccccc2s1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F Fc1ccc(c(F)c1F)[*:1] C[C@@H](Sc1nc2ccccc2s1)C(=O)NCC(=O)N[*:1]
C[C@@H](Sc1nc2ccccc2s1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F c1ccc2sc(nc2c1)[*:1] C[C@@H](S[*:1])C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCSc1ccccc1Cl CS(=O)(=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)CCSc1ccccc1Cl
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCSc1ccccc1Cl Clc1ccccc1S[*:1] C[C@@H](c1ccc(cc1)S(C)(=O)=O)N(C)C(=O)CC[*:1]
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCSc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](c1ccc(cc1)S(C)(=O)=O)N(C)C(=O)CCS[*:1]
COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@H]1C)[NH+]1CCCC1 C[C@@H]1C[C@@H]1[*:1] COc1ccccc1[C@H](CNC(=O)[*:1])[NH+]1CCCC1
COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@H]1C)[NH+]1CCCC1 C[C@@H]1C[C@@H]1C(=O)N[*:1] COc1ccccc1[C@H](C[*:1])[NH+]1CCCC1
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1cccc([S@](C)=O)c1 C[S@](=O)[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Nc1cccc(c1)[*:1]
CCOC(=O)[C@H](C)Sc1nnc2n(-c3ccc(C)cc3)c(=O)c3ccccc3n12 CCOC(=O)[*:1] Cc1ccc(cc1)-n1c(=O)c2ccccc2n2c(nnc12)S[C@@H](C)[*:1]
CCOC(=O)[C@H](C)Sc1nnc2n(-c3ccc(C)cc3)c(=O)c3ccccc3n12 Cc1ccc(cc1)[*:1] CCOC(=O)[C@H](C)Sc1nnc2n(c(=O)c3ccccc3n12)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ncoc2C)C1 Cc1ocnc1C[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ncoc2C)C1 CCC[C@@H](C)NC(=O)[*:1] Cc1ocnc1CNC(=O)N1CCC[C@H](C1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ncoc2C)C1 CCC[C@@H](C)[*:1] Cc1ocnc1CNC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ncoc2C)C1 CCC[*:1] Cc1ocnc1CNC(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ncoc2C)C1 Cc1ocnc1[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)NC[*:1]
Cc1ccc2c(CCNC(=O)[C@H](C)N3C(=O)CCC3=O)c[nH]c2c1 O=C1CCC(=O)N1[*:1] Cc1ccc2c(c[nH]c2c1)CCNC(=O)[C@H](C)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccccc1Cl Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N[C@H](C)c1ccccc1Cl
O=C(c1ccccc1)N1CCCN(C(=O)c2ccc(Oc3nccs3)cc2)CC1 c1csc(n1)[*:1] O=C(c1ccccc1)N1CCCN(CC1)C(=O)c1ccc(cc1)O[*:1]
O=C(c1ccccc1)N1CCCN(C(=O)c2ccc(Oc3nccs3)cc2)CC1 c1csc(n1)O[*:1] O=C(c1ccccc1)N1CCCN(CC1)C(=O)c1ccc(cc1)[*:1]
O=C(c1ccccc1)N1CCCN(C(=O)c2ccc(Oc3nccs3)cc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)Oc1nccs1)N1CCCN(CC1)C(=O)[*:1]
CC[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]([NH2+][C@H](C[C@@H]1CCOC1)[*:1])c1ccccc1
CC[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)[*:1]
CC[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1 C1C[C@H](CO1)[*:1] CC[C@H]([NH2+][C@H](C[*:1])c1ccccc1)c1ccccc1
C[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)C(=O)N[*:1]
C[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)C(=O)NC[*:1]
CCOC(=O)c1cc(CC)sc1NC(=O)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CCOC(=O)c1cc(CC)sc1NC(=O)[*:1]
CCOC(=O)c1cc(CC)sc1NC(=O)c1nc(C)n[nH]1 CCOC(=O)[*:1] CCc1cc(c(NC(=O)c2nc(C)n[nH]2)s1)[*:1]
CC(C)OCCS(=O)(=O)NCc1ccco1 CC(C)O[*:1] O=S(=O)(CC[*:1])NCc1ccco1
CC(C)OCCS(=O)(=O)NCc1ccco1 c1coc(c1)[*:1] CC(C)OCCS(=O)(=O)NC[*:1]
CC(C)OCCS(=O)(=O)NCc1ccco1 CC(C)[*:1] O=S(=O)(CCO[*:1])NCc1ccco1
CC(C)OCCS(=O)(=O)NCc1ccco1 CC(C)OC[*:1] O=S(=O)(C[*:1])NCc1ccco1
C[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCc2ccc(cc2C1)[N+](=O)[O-]
C[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2ccc(cc2C1)[*:1]
[NH3+]Cc1ccc(C(=O)N2CCN(CCO)CC2)o1 OCC[*:1] [NH3+]Cc1ccc(o1)C(=O)N1CCN(CC1)[*:1]
Oc1ccc(-c2c(-c3ccccc3)ncn2Cc2cccnc2-n2cncn2)cc1 Oc1ccc(cc1)[*:1] c1ccc(cc1)-c1ncn(Cc2cccnc2-n2cncn2)c1[*:1]
Oc1ccc(-c2c(-c3ccccc3)ncn2Cc2cccnc2-n2cncn2)cc1 c1ncn(n1)[*:1] Oc1ccc(cc1)-c1c(ncn1Cc1cccnc1[*:1])-c1ccccc1
Oc1ccc(-c2c(-c3ccccc3)ncn2Cc2cccnc2-n2cncn2)cc1 c1ccc(cc1)[*:1] Oc1ccc(cc1)-c1c(ncn1Cc1cccnc1-n1cncn1)[*:1]
C[NH2+]CC(=O)N1CCC2(CC1)CN(C[C@H](C)c1ccccc1)C(=O)O2 c1ccc(cc1)[*:1] C[NH2+]CC(=O)N1CCC2(CC1)CN(C[C@H](C)[*:1])C(=O)O2
C[NH2+]CC(=O)N1CCC2(CC1)CN(C[C@H](C)c1ccccc1)C(=O)O2 C[C@H](c1ccccc1)[*:1] C[NH2+]CC(=O)N1CCC2(CC1)CN(C[*:1])C(=O)O2
C[NH+]1CCC(NCCc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] C[NH+]1CCC(CC1)NCCc1ccc(cc1)[*:1]
O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1COCCO1 O=[N+]([O-])[*:1] O=C(Nc1n[nH]c2ccc(cc12)[*:1])[C@H]1COCCO1
CCCc1nnc(N2CCC3(CC2)OCCC[C@H]3OC)o1 CCC[*:1] CO[C@@H]1CCCOC12CCN(CC2)c1nnc(o1)[*:1]
CC(C)=CC(=O)N(Cc1cccnc1)Cc1ccco1 CC(C)=C[*:1] O=C(N(Cc1cccnc1)Cc1ccco1)[*:1]
CC(C)=CC(=O)N(Cc1cccnc1)Cc1ccco1 c1cncc(c1)[*:1] CC(C)=CC(=O)N(Cc1ccco1)C[*:1]
CC(C)=CC(=O)N(Cc1cccnc1)Cc1ccco1 c1coc(c1)C[*:1] CC(C)=CC(=O)N(Cc1cccnc1)[*:1]
CC(C)=CC(=O)N(Cc1cccnc1)Cc1ccco1 c1coc(c1)[*:1] CC(C)=CC(=O)N(Cc1cccnc1)C[*:1]
O[C@@H](CC[C@@H]1CCCO1)Cc1ccc2ccccc2n1 C1CO[C@@H](C1)C[*:1] O[C@H](Cc1ccc2ccccc2n1)C[*:1]
O[C@@H](CC[C@@H]1CCCO1)Cc1ccc2ccccc2n1 C1CO[C@@H](C1)[*:1] O[C@@H](CC[*:1])Cc1ccc2ccccc2n1
COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1 c1csc(c1)[*:1] COc1cccc(c1)CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)NC1CCCCC1)[*:1]
COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1 COc1cccc(c1)[*:1] C[C@]1(Cn2nc(cc2C(=O)N1C[*:1])-c1cccs1)C(=O)NC1CCCCC1
COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] COc1cccc(c1)CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)N[*:1])-c1cccs1
COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1 COc1cccc(c1)C[*:1] C[C@]1(Cn2nc(cc2C(=O)N1[*:1])-c1cccs1)C(=O)NC1CCCCC1
COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1 O=C(NC1CCCCC1)[*:1] COc1cccc(c1)CN1C(=O)c2cc(nn2C[C@]1(C)[*:1])-c1cccs1
CNC(=O)c1ccc(CNC(=O)N[C@@H](C)CO)cc1 CNC(=O)[*:1] C[C@@H](CO)NC(=O)NCc1ccc(cc1)[*:1]
CNC(=O)c1ccc(CNC(=O)N[C@@H](C)CO)cc1 C[C@@H](CO)[*:1] CNC(=O)c1ccc(cc1)CNC(=O)N[*:1]
COc1ccc(C(=O)N2c3cc(CNC(=O)COc4ccccc4)ccc3C[C@@H]2C)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)C(=O)N1c2cc(ccc2C[C@@H]1C)CNC(=O)C[*:1]
COc1ccc(C(=O)N2c3cc(CNC(=O)COc4ccccc4)ccc3C[C@@H]2C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N1c2cc(ccc2C[C@@H]1C)CNC(=O)CO[*:1]
COc1ccc(C(=O)N2c3cc(CNC(=O)COc4ccccc4)ccc3C[C@@H]2C)cc1 COc1ccc(cc1)[*:1] C[C@H]1Cc2ccc(cc2N1C(=O)[*:1])CNC(=O)COc1ccccc1
COc1ccc(C(=O)N2c3cc(CNC(=O)COc4ccccc4)ccc3C[C@@H]2C)cc1 c1ccc(cc1)OC[*:1] COc1ccc(cc1)C(=O)N1c2cc(ccc2C[C@@H]1C)CNC(=O)[*:1]
[NH3+][C@@H](Cc1ccc(Br)cc1)[C@H]1CCOC2(CCOCC2)C1 Brc1ccc(cc1)[*:1] [NH3+][C@@H](C[*:1])[C@H]1CCOC2(CCOCC2)C1
CCCN1C(=O)C2(OCCCO2)c2cccc(C)c21 CCC[*:1] Cc1cccc2c1N(C(=O)C21OCCCO1)[*:1]
CC(C)N1CCO[C@H]([C@H](O)c2cc(F)ccc2F)C1 CC(C)[*:1] O[C@H](c1cc(F)ccc1F)[C@@H]1CN(CCO1)[*:1]
c1ccc(-c2nnc(CN[C@H]3CC4(CCC4)Oc4ccccc43)s2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)OC1(CCC1)C[C@@H]2NCc1nnc(s1)[*:1]
O=C(c1cc2c(s1)CCCC2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(c1cc2CCCCc2s1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1cc2c(s1)CCCC2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1cc2CCCCc2s1)N1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
O=C(c1cc2c(s1)CCCC2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 c1c(sc2CCCCc12)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
C[C@H]([NH2+]C1CC1)[C@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+]C1CC1)[C@H](C)[*:1]
C[C@H]([NH2+]C1CC1)[C@H](C)C(=O)[O-] C1CC1[*:1] C[C@H]([NH2+][*:1])[C@H](C)C(=O)[O-]
c1ccc2c(c1)[nH]c1c(NC[C@@H]3CCCO3)ncnc12 C1CO[C@@H](C1)[*:1] c1ccc2c(c1)[nH]c1c(ncnc12)NC[*:1]
c1ccc2c(c1)[nH]c1c(NC[C@@H]3CCCO3)ncnc12 C1CO[C@@H](C1)C[*:1] c1ccc2c(c1)[nH]c1c(ncnc12)N[*:1]
C[C@H](O)C[C@H](C)CNC(=O)c1cccc(F)c1Cl C[C@H](O)C[*:1] C[C@H](CNC(=O)c1cccc(F)c1Cl)[*:1]
C[C@H](O)C[C@H](C)CNC(=O)c1cccc(F)c1Cl C[C@H](O)[*:1] C[C@H](CNC(=O)c1cccc(F)c1Cl)C[*:1]
CCc1noc(CC)c1CC(=O)N(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CCc1noc(CC)c1CC(=O)N(C)[C@@H]1CCC[C@H]1[*:1]
CCCOc1ccccc1NC(=O)C(=O)N1CCC(OC)CC1 CCCO[*:1] COC1CCN(CC1)C(=O)C(=O)Nc1ccccc1[*:1]
CCCOc1ccccc1NC(=O)C(=O)N1CCC(OC)CC1 CCC[*:1] COC1CCN(CC1)C(=O)C(=O)Nc1ccccc1O[*:1]
CCOCCn1/c(=N/C(=O)c2ccno2)sc2cc(OCC)ccc21 c1cc(on1)[*:1] CCOCCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)OCC
CCOCCn1/c(=N/C(=O)c2ccno2)sc2cc(OCC)ccc21 CCOC[*:1] CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccno1)n2C[*:1]
CCOCCn1/c(=N/C(=O)c2ccno2)sc2cc(OCC)ccc21 CCO[*:1] CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccno1)n2CC[*:1]
CCOCCn1/c(=N/C(=O)c2ccno2)sc2cc(OCC)ccc21 CCO[*:1] CCOCCn1/c(=N/C(=O)c2ccno2)sc2cc(ccc21)[*:1]
CCOCCn1/c(=N/C(=O)c2ccno2)sc2cc(OCC)ccc21 CCOCC[*:1] CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccno1)n2[*:1]
O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccccc1F c1csc(c1)[*:1] O=C(Oc1ccc2C(=O)C(=C[*:1])Oc2c1)c1ccccc1F
O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccccc1F Fc1ccccc1[*:1] O=C1/C(=C/c2cccs2)Oc2cc(ccc21)OC(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1SCC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 C1CCc2nnc(n2CC1)[*:1] Cc1nn(-c2ccccc2)c(C)c1SCC(=O)Nc1cccc(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1SCC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1SCC(=O)Nc1cccc(c1)-c1nnc2CCCCCn21)[*:1]
COc1ccc(Cl)cc1NC(=O)NCCOc1cc(N2CCOCC2)ncn1 C1CN(CCO1)[*:1] COc1ccc(Cl)cc1NC(=O)NCCOc1cc(ncn1)[*:1]
COc1ccc(Cl)cc1NC(=O)NCCOc1cc(N2CCOCC2)ncn1 COc1ccc(Cl)cc1[*:1] O=C(NCCOc1cc(ncn1)N1CCOCC1)N[*:1]
COc1cc(OC)c(NC(=O)C(=O)NC(C)C)cc1F CC(C)[*:1] COc1cc(OC)c(cc1F)NC(=O)C(=O)N[*:1]
C=CCCCN(C)C(=O)[C@H]1CCO[C@H]1C C=CCCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)N(C)[*:1]
C=CCCCN(C)C(=O)[C@H]1CCO[C@H]1C C=CCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)N(C)C[*:1]
C=CCCCN(C)C(=O)[C@H]1CCO[C@H]1C C=CC[*:1] C[C@@H]1OCC[C@@H]1C(=O)N(C)CC[*:1]
C[N+]1(C[C@@H]2CO[C@@H]([C@H]3CC=CCC3)O2)CCCC1 C[N+]1(CCCC1)[*:1] C1=CC[C@@H](CC1)[C@@H]1OC[C@@H](C[*:1])O1
C[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(N)=O C[C@@H](C(N)=O)[*:1] O=S(=O)(N[*:1])c1cccc(c1)-n1cnnn1
C[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(N)=O c1nnnn1[*:1] C[C@@H](NS(=O)(=O)c1cccc(c1)[*:1])C(N)=O
C[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)C(N)=O NC(=O)[*:1] C[C@@H](NS(=O)(=O)c1cccc(c1)-n1cnnn1)[*:1]
CCCCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1Cl CCCC[*:1] CN(C(=O)C(=O)Nc1cc(Cl)ccc1Cl)[*:1]
CCCCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1Cl CCC[*:1] CN(C[*:1])C(=O)C(=O)Nc1cc(Cl)ccc1Cl
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)NC1CC1 c1ccc(cc1)CO[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])C(=O)NC1CC1
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)NC1CC1 c1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(cc1)OC[*:1])C(=O)NC1CC1
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)NC1CC1 c1ccc(cc1)C[*:1] O=C(N/N=C/c1ccc(cc1)O[*:1])C(=O)NC1CC1
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)NC1CC1 C1CC1[*:1] O=C(N/N=C/c1ccc(cc1)OCc1ccccc1)C(=O)N[*:1]
CC(=O)CCc1ccc(OC(=O)[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 CC(=O)[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)Oc2ccc(cc2)CC[*:1])C1=O
CC(=O)CCc1ccc(OC(=O)[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(=O)CCc1ccc(cc1)OC(=O)[C@H]1CCN(C1=O)[*:1]
CC(=O)CCc1ccc(OC(=O)[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 CC(=O)CC[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)Oc2ccc(cc2)[*:1])C1=O
CC(=O)CCc1ccc(OC(=O)[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 CC(=O)C[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)Oc2ccc(cc2)C[*:1])C1=O
CC[C@H](C#N)NC(=O)[C@H]1COc2ccc(F)cc2C1 CC[C@H](C#N)[*:1] O=C(N[*:1])[C@H]1COc2ccc(F)cc2C1
C[C@H]([NH3+])Cc1ccc(OCCc2ccncc2)cn1 c1cc(ccn1)[*:1] C[C@H]([NH3+])Cc1ccc(cn1)OCC[*:1]
C=CCCC(=O)N1CCOC[C@@H]1C1CC1 C=CCC[*:1] O=C(N1CCOC[C@@H]1C1CC1)[*:1]
C=CCCC(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] C=CCCC(=O)N1CCOC[C@H]1[*:1]
C=CCCC(=O)N1CCOC[C@@H]1C1CC1 C=CC[*:1] O=C(C[*:1])N1CCOC[C@@H]1C1CC1
CC(C)(C)OC(=O)c1cccc(C(=O)N2CCO[C@@H](c3nccs3)C2)c1 CC(C)(C)[*:1] O=C(O[*:1])c1cccc(c1)C(=O)N1CCO[C@H](C1)c1nccs1
CC(C)(C)OC(=O)c1cccc(C(=O)N2CCO[C@@H](c3nccs3)C2)c1 CC(C)(C)OC(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCO[C@H](C1)c1nccs1
CC(C)(C)OC(=O)c1cccc(C(=O)N2CCO[C@@H](c3nccs3)C2)c1 c1csc(n1)[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)N1CCO[C@@H](C1)[*:1]
CC(C)(F)C(=O)OC1CCCCCC1 CC(C)(F)[*:1] O=C(OC1CCCCCC1)[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc4ccccc4s3)c2)cc1 c1ccc2sc(nc2c1)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc4ccccc4s3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc2ccccc2s1)c1cccc(c1)NS(=O)(=O)[*:1]
C[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Cc1csc(n1)N1CCCC1=O)[*:1]
C[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccccc1 O=C1CCCN1[*:1] C[C@@H](NC(=O)Cc1csc(n1)[*:1])c1ccccc1
O=[N+]([O-])c1cccc(-n2cc(-c3ccc(Br)cc3)cn2)c1 Brc1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)-n1cc(cn1)[*:1]
O=[N+]([O-])c1cccc(-n2cc(-c3ccc(Br)cc3)cn2)c1 O=[N+]([O-])[*:1] Brc1ccc(cc1)-c1cnn(c1)-c1cccc(c1)[*:1]
O=C(CCOC[C@@H]1CCCO1)N1CCCc2cc(Cl)ccc21 C1CO[C@@H](C1)[*:1] O=C(CCOC[*:1])N1CCCc2cc(Cl)ccc21
O=C(CCOC[C@@H]1CCCO1)N1CCCc2cc(Cl)ccc21 C1CO[C@@H](C1)CO[*:1] O=C(CC[*:1])N1CCCc2cc(Cl)ccc21
O=C(CCOC[C@@H]1CCCO1)N1CCCc2cc(Cl)ccc21 C1CO[C@@H](C1)C[*:1] O=C(CCO[*:1])N1CCCc2cc(Cl)ccc21
COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2sccc2C)ccc1O Cc1ccsc1C=N[*:1] COc1cc(ccc1O)-c1nc2cc(C)ccn2c1[*:1]
COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2sccc2C)ccc1O COc1cc(ccc1O)[*:1] Cc1ccn2c(/N=C/c3sccc3C)c(nc2c1)[*:1]
COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2sccc2C)ccc1O Cc1ccsc1[*:1] COc1cc(ccc1O)-c1nc2cc(C)ccn2c1N=C[*:1]
Cc1ccc(Cn2nc(C)c(CN3CCC[C@@H](c4nncn4C)C3)c2Cl)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1CN1CCC[C@H](C1)c1nncn1C
Cc1ccc(Cn2nc(C)c(CN3CCC[C@@H](c4nncn4C)C3)c2Cl)cc1 Cn1cnnc1[*:1] Cc1ccc(cc1)Cn1nc(C)c(CN2CCC[C@@H](C2)[*:1])c1Cl
Cc1ccc(Cn2nc(C)c(CN3CCC[C@@H](c4nncn4C)C3)c2Cl)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1CN1CCC[C@H](C1)c1nncn1C)[*:1]
CC(C)N(CC(F)(F)F)C(=O)Cl FC(F)(F)[*:1] CC(C)N(C[*:1])C(=O)Cl
CC(C)N(CC(F)(F)F)C(=O)Cl CC(C)[*:1] O=C(Cl)N(CC(F)(F)F)[*:1]
Cc1c(C(=O)NCc2ccc(-n3cccn3)cc2)c(-c2ccccc2)nn1-c1ccccc1 c1cnn(c1)-c1ccc(cc1)[*:1] Cc1c(C(=O)NC[*:1])c(nn1-c1ccccc1)-c1ccccc1
Cc1c(C(=O)NCc2ccc(-n3cccn3)cc2)c(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(C(=O)NCc2ccc(cc2)-n2cccn2)c(nn1[*:1])-c1ccccc1
Cc1c(C(=O)NCc2ccc(-n3cccn3)cc2)c(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(C(=O)NCc2ccc(cc2)-n2cccn2)c(nn1-c1ccccc1)[*:1]
Cc1c(C(=O)NCc2ccc(-n3cccn3)cc2)c(-c2ccccc2)nn1-c1ccccc1 c1cnn(c1)[*:1] Cc1c(C(=O)NCc2ccc(cc2)[*:1])c(nn1-c1ccccc1)-c1ccccc1
Cc1ccc(CNC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NC[*:1]
Cc1ccc(CNC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)cc1 CC(C)(C)C[*:1] Cc1ccc(cc1)CNC(=O)[C@H]1CSCN1C(=O)[*:1]
Cc1ccc(CNC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)CNC(=O)[C@H]1CSCN1C(=O)C[*:1]
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1 c1cc(ccn1)[*:1] C[C@@H](C#N)Oc1ccc(/C=C(/C#N)c2nc(cs2)[*:1])cc1
CC(C)Oc1cccc([C@@H](O)[C@H]2CN3CCC[C@@H]3CO2)c1 CC(C)[*:1] O[C@H](c1cccc(c1)O[*:1])[C@H]1CN2CCC[C@@H]2CO1
CC(C)Oc1cccc([C@@H](O)[C@H]2CN3CCC[C@@H]3CO2)c1 CC(C)O[*:1] O[C@H](c1cccc(c1)[*:1])[C@H]1CN2CCC[C@@H]2CO1
O=C(/N=c1\cc([O-])n(-c2ccccc2)[nH]1)[C@@H](c1ccccc1)n1cccc1 c1ccc(cc1)[*:1] O=C(/N=c1\cc([O-])n([nH]1)-c1ccccc1)[C@@H](n1cccc1)[*:1]
O=C(/N=c1\cc([O-])n(-c2ccccc2)[nH]1)[C@@H](c1ccccc1)n1cccc1 c1ccn(c1)[*:1] O=C(/N=c1\cc([O-])n([nH]1)-c1ccccc1)[C@@H](c1ccccc1)[*:1]
O=C(/N=c1\cc([O-])n(-c2ccccc2)[nH]1)[C@@H](c1ccccc1)n1cccc1 c1ccc(cc1)[*:1] O=C(/N=c1\cc([O-])n([nH]1)[*:1])[C@@H](c1ccccc1)n1cccc1
CC(=O)N[C@@H](CC(=O)NCC(=O)Nc1cccnc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)NCC(=O)Nc1cccnc1)[*:1]
CC(=O)N[C@@H](CC(=O)NCC(=O)Nc1cccnc1)c1ccc(Cl)cc1 c1cncc(c1)[*:1] CC(=O)N[C@@H](CC(=O)NCC(=O)N[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)NCC(=O)Nc1cccnc1)c1ccc(Cl)cc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccc(Cl)cc1)[*:1])NCC(=O)Nc1cccnc1
O=C(OCCOc1ccc(Cl)cc1)c1ccc(O)cc1O Clc1ccc(cc1)[*:1] O=C(OCCO[*:1])c1ccc(O)cc1O
Cc1nc2ccccc2n1CC1CCN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC1 Cc1nc2ccccc2n1[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC(CC1)C[*:1]
C[C@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)N1CCC(CC1)C[*:1]
C[C@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)N1CCC(CC1)[*:1]
CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cnc(-c2cccnc2)s1 CC(C)[*:1] O=C1c2ccccc2N[C@H](c2cnc(s2)-c2cccnc2)N1C[*:1]
CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cnc(-c2cccnc2)s1 CC(C)C[*:1] O=C1c2ccccc2N[C@H](c2cnc(s2)-c2cccnc2)N1[*:1]
CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cnc(-c2cccnc2)s1 c1cncc(c1)[*:1] CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cnc(s1)[*:1]
Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N(CCO)CCO OCC[*:1] Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N(CCO)[*:1]
Nc1cc(Cl)c(S(=O)(=O)NCCCO)c(Cl)c1 OCCC[*:1] Nc1cc(Cl)c(c(Cl)c1)S(=O)(=O)N[*:1]
Nc1cc(Cl)c(S(=O)(=O)NCCCO)c(Cl)c1 OCC[*:1] Nc1cc(Cl)c(c(Cl)c1)S(=O)(=O)NC[*:1]
Cc1cccc(-c2nc(CC(=O)Nc3nonc3C)cs2)c1 Cc1cccc(c1)[*:1] Cc1nonc1NC(=O)Cc1csc(n1)[*:1]
Cc1cccc(-c2nc(CC(=O)Nc3nonc3C)cs2)c1 Cc1nonc1[*:1] Cc1cccc(c1)-c1nc(cs1)CC(=O)N[*:1]
CCCNC(=O)c1ccc(NC(=O)NC[C@H](C)N2CCOCC2)cc1 CCCNC(=O)[*:1] C[C@@H](CNC(=O)Nc1ccc(cc1)[*:1])N1CCOCC1
CCCNC(=O)c1ccc(NC(=O)NC[C@H](C)N2CCOCC2)cc1 CCC[*:1] C[C@@H](CNC(=O)Nc1ccc(cc1)C(=O)N[*:1])N1CCOCC1
CCCNC(=O)c1ccc(NC(=O)NC[C@H](C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)NC[C@H](C)[*:1]
O=C(CN1CCOCC1)N[C@@H](CO)c1cc(F)c(F)c(F)c1 C1CN(CCO1)[*:1] O=C(C[*:1])N[C@@H](CO)c1cc(F)c(F)c(F)c1
O=C(CN1CCOCC1)N[C@@H](CO)c1cc(F)c(F)c(F)c1 C1CN(CCO1)C[*:1] O=C(N[C@@H](CO)c1cc(F)c(F)c(F)c1)[*:1]
Cc1ccc(-n2[nH]c(C(=O)NCCc3nc(C(C)C)no3)cc2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)NCCc1nc(no1)[*:1]
Cc1ccc(-n2[nH]c(C(=O)NCCc3nc(C(C)C)no3)cc2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)c1noc(CCNC(=O)c2cc(=O)n([nH]2)[*:1])n1
Cc1ccc(-n2[nH]c(C(=O)NCCc3nc(C(C)C)no3)cc2=O)cc1 CC(C)c1noc(n1)[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)NCC[*:1]
CCSc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)s1 CCS[*:1] O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1nnc(s1)[*:1]
CCSc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)s1 CCSc1nnc(s1)[*:1] O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)N[*:1]
CCSc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCSc1nnc(NC(=O)CSc2ncnc3c2cnn3[*:1])s1
Cc1cc(C)cc(N2C[C@H](C(N)=O)CC2=O)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)N1C[C@H](CC1=O)[*:1]
CN(C(=O)c1ccc(NC(=O)c2ccccc2F)cc1)c1ccccc1 Fc1ccccc1[*:1] CN(C(=O)c1ccc(cc1)NC(=O)[*:1])c1ccccc1
CN(C(=O)c1ccc(NC(=O)c2ccccc2F)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)c1ccccc1F)[*:1]
CCn1c(C)nc([N+](=O)[O-])c1Sc1cccc(C(F)(F)F)c1 O=[N+]([O-])[*:1] CCn1c(C)nc(c1Sc1cccc(c1)C(F)(F)F)[*:1]
CCn1c(C)nc([N+](=O)[O-])c1Sc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCn1c(C)nc(c1Sc1cccc(c1)[*:1])[N+](=O)[O-]
CC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cscn1 CC(C)(C)C(=O)N[*:1] O=C(NCc1cscn1)[C@@H](Cc1ccccc1)[*:1]
CC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cscn1 c1nc(cs1)C[*:1] CC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[*:1]
CC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cscn1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)N[C@H](C[*:1])C(=O)NCc1cscn1
CC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cscn1 c1nc(cs1)[*:1] CC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)NC[*:1]
CC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cscn1 c1ccc(cc1)C[*:1] CC(C)(C)C(=O)N[C@H](C(=O)NCc1cscn1)[*:1]
CC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cscn1 CC(C)(C)[*:1] O=C(NCc1cscn1)[C@@H](Cc1ccccc1)NC(=O)[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)NCC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)NCC(=O)N[*:1]
Cc1sc2nc(CN(C)CCC(=O)OC(C)(C)C)[nH]c(=O)c2c1C CC(C)(C)OC(=O)[*:1] Cc1sc2nc(CN(C)CC[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CN(C)CCC(=O)OC(C)(C)C)[nH]c(=O)c2c1C CC(C)(C)[*:1] Cc1sc2nc(CN(C)CCC(=O)O[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CN(C)CCC(=O)OC(C)(C)C)[nH]c(=O)c2c1C CC(C)(C)OC(=O)C[*:1] Cc1sc2nc(CN(C)C[*:1])[nH]c(=O)c2c1C
C[NH+](C)[C@H](CN/C=C1/C(=O)NC(=O)c2ccccc21)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@H](CN/C=C1/C(=O)NC(=O)c2ccccc21)[*:1]
Cc1cc(C)nc(/N=C(\N)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 Cc1cc(C)nc(n1)[*:1] NC(=N[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
Cc1cc(C)nc(/N=C(\N)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 c1cc2OCOc2cc1[*:1] Cc1cc(C)nc(/N=C(\N)N2CCN(CC2)C[*:1])n1
NC(=O)c1n[nH]c2ccc(NC(=O)C3(Cc4ccccc4)CC3)cc12 c1ccc(cc1)C[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)C1(CC1)[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)C3(Cc4ccccc4)CC3)cc12 c1ccc(cc1)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)C1(CC1)C[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)C3(Cc4ccccc4)CC3)cc12 NC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])C1(CC1)Cc1ccccc1
Cc1cc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(N/N=C/c1cc2OCOc2cc1Br)[*:1]
O=C([O-])c1ccc[nH+]c1NC[C@H](c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([O-])c1ccc[nH+]c1NC[C@H](N1CCOCC1)[*:1]
O=C([O-])c1ccc[nH+]c1NC[C@H](c1ccccc1)N1CCOCC1 O=C([O-])[*:1] c1ccc(cc1)[C@@H](CNc1[nH+]cccc1[*:1])N1CCOCC1
O=C([O-])c1ccc[nH+]c1NC[C@H](c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] O=C([O-])c1ccc[nH+]c1NC[C@H](c1ccccc1)[*:1]
CC(C)Oc1ncnc(NC[C@H]2CCS(=O)(=O)C2)c1N CC(C)O[*:1] Nc1c(ncnc1[*:1])NC[C@H]1CCS(=O)(=O)C1
CC(C)Oc1ncnc(NC[C@H]2CCS(=O)(=O)C2)c1N CC(C)[*:1] Nc1c(ncnc1O[*:1])NC[C@H]1CCS(=O)(=O)C1
CCC(=O)N(C)C[C@H]1C=c2ccccc2=[NH+]C1=O CCC(=O)N(C)[*:1] O=C1[NH+]=c2ccccc2=C[C@@H]1C[*:1]
CC(C)(c1ccccc1)c1ccc(O[C@H]2CC[NH2+]C2)cc1 c1ccc(cc1)[*:1] CC(C)(c1ccc(cc1)O[C@H]1CC[NH2+]C1)[*:1]
COc1ccc(CCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)CCC(=O)N[C@H](C(N)=O)[*:1]
COc1ccc(CCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1F NC(=O)[*:1] COc1ccc(cc1F)CCC(=O)N[C@H](c1ccccc1)[*:1]
C[C@H]1CCC[C@@H](CNc2ccn(CC(F)(F)F)n2)C1 FC(F)(F)C[*:1] C[C@H]1CCC[C@@H](CNc2ccn(n2)[*:1])C1
C[C@H]1CCC[C@@H](CNc2ccn(CC(F)(F)F)n2)C1 FC(F)(F)[*:1] C[C@H]1CCC[C@@H](CNc2ccn(C[*:1])n2)C1
CN(C)C(=O)Cc1ccc(NC(=O)c2nc(-c3ccccc3)cs2)cc1 CN(C)C(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1nc(cs1)-c1ccccc1
CN(C)C(=O)Cc1ccc(NC(=O)c2nc(-c3ccccc3)cs2)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)c1nc(cs1)[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)c2nc(-c3ccccc3)cs2)cc1 CN(C)C(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1nc(cs1)-c1ccccc1
C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(CC1)[*:1]
C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(CC1)C[*:1]
C[C@@H](CCc1ccccc1F)C(=O)N1CCS[C@@H](C)[C@@H]1C Fc1ccccc1[*:1] C[C@@H](CC[*:1])C(=O)N1CCS[C@@H](C)[C@@H]1C
CCOC[C@H]1CCN(C(=O)Cn2cc(C)c3ccccc32)C1 CCOC[*:1] Cc1cn(CC(=O)N2CC[C@@H](C2)[*:1])c2ccccc12
CCOC[C@H]1CCN(C(=O)Cn2cc(C)c3ccccc32)C1 CCO[*:1] Cc1cn(CC(=O)N2CC[C@@H](C2)C[*:1])c2ccccc12
Cc1cc(Br)ccc1SCC(=O)O[C@@H](C#N)C1CC1 C1CC1[*:1] Cc1cc(Br)ccc1SCC(=O)O[C@@H](C#N)[*:1]
CC(C)[NH+](CC(=O)Nc1cccc2ccccc12)C1CCOCC1 CC(C)[*:1] O=C(C[NH+](C1CCOCC1)[*:1])Nc1cccc2ccccc12
C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 c1cc2OCOc2cc1[*:1] C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(C1)[*:1]
CSc1nnc(-c2ccccc2[N+](=O)[O-])o1 O=[N+]([O-])[*:1] CSc1nnc(o1)-c1ccccc1[*:1]
Clc1ccc(-c2nc(-c3ccncc3)no2)cc1Cl c1cc(ccn1)[*:1] Clc1ccc(cc1Cl)-c1nc(no1)[*:1]
Cc1ccc(N2C(=O)S[C@H](Nc3cccc(F)c3)C2=O)cc1C Fc1cccc(c1)[*:1] Cc1ccc(cc1C)N1C(=O)S[C@H](N[*:1])C1=O
COc1ccccc1[C@@H]1CN2C(=O)CN(N)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 COc1ccccc1[*:1] C[C@]12C(=O)N(N)CC(=O)N1C[C@H](c1c2[nH]c2ccccc12)[*:1]
Cn1cc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)cn1 Cn1cc(cn1)C[*:1] O=C(NC[*:1])c1cc(=O)[nH]c2ccccc12
Cn1cc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)cn1 Cn1cc(cn1)[*:1] O=C(NCC[*:1])c1cc(=O)[nH]c2ccccc12
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCSC2(CCCCC2)C1 O=[N+]([O-])[*:1] O=c1ccc(cn1CC[NH+]1CCSC2(CCCCC2)C1)[*:1]
Cc1cn2c([nH+]1)[C@H](CNCc1cnc(N3CCCC3)nc1)CCC2 C1CCN(C1)[*:1] Cc1cn2CCC[C@@H](CNCc3cnc(nc3)[*:1])c2[nH+]1
O=C(OCCc1ccccc1)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(OCCc1ccccc1)[C@@H](O)[*:1]
O=C(OCCc1ccccc1)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(OCC[*:1])[C@@H](O)c1ccccc1
Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)C(C)C)C1CCN(C(=O)c2ccccc2F)CC1 Cc1ccccc1C(=O)N[*:1] CC(C)[C@H](C)NC(=O)[C@@H](C1CCN(CC1)C(=O)c1ccccc1F)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)C(C)C)C1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)C(C)C)C1CCN(CC1)C(=O)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)C(C)C)C1CCN(C(=O)c2ccccc2F)CC1 Cc1ccccc1[*:1] CC(C)[C@H](C)NC(=O)[C@H](NC(=O)[*:1])C1CCN(CC1)C(=O)c1ccccc1F
Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)C(C)C)C1CCN(C(=O)c2ccccc2F)CC1 CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)[*:1])C1CCN(CC1)C(=O)c1ccccc1F
CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)cc1 CCOC(=O)[*:1] CCS(=O)(=O)N1CCc2cc(ccc21)C(=O)Nc1ccc(cc1)[*:1]
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccnc1 c1cncc(c1)[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1F)[N+](=O)[O-]
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccnc1 O=[N+]([O-])[*:1] O=C(NNC(=O)c1ccc(cc1F)[*:1])c1cccnc1
C#CCN(CC#C)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O C#CC[*:1] C#CCN(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)[*:1]
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 CC(C)C[*:1] NC(=O)Cn1cc(nn1)C(=O)N[C@H]1CCC[C@@H]1C[*:1]
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 CC(C)[*:1] NC(=O)Cn1cc(nn1)C(=O)N[C@H]1CCC[C@@H]1CC[*:1]
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 NC(=O)C[*:1] CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cn(nn1)[*:1]
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 NC(=O)[*:1] CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cn(C[*:1])nn1
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 CC(C)CC[*:1] NC(=O)Cn1cc(nn1)C(=O)N[C@H]1CCC[C@@H]1[*:1]
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)c1cccc(c1)[*:1] Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 Cc1ccccc1[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1ccc(cc1)S(=O)(=O)N[*:1]
CCOC(=O)N1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1ccc(/C=C2\SC(=O)N(C[*:1])C2=O)cc1
CCOC(=O)N1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2)CC1 c1ccc(cc1)C[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1
CN(Cc1ccccc1Br)C(=O)CCNC(=O)c1ccco1 c1coc(c1)[*:1] CN(Cc1ccccc1Br)C(=O)CCNC(=O)[*:1]
CN(Cc1ccccc1Br)C(=O)CCNC(=O)c1ccco1 Brc1ccccc1[*:1] CN(C[*:1])C(=O)CCNC(=O)c1ccco1
Cc1nc(CSCc2nnnn2C2CC2)no1 C1CC1[*:1] Cc1nc(CSCc2nnnn2[*:1])no1
Cc1cc(N)c([N+](=O)[O-])cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1cc(N)c(cc1[*:1])[N+](=O)[O-]
Cc1cc(N)c([N+](=O)[O-])cc1S(N)(=O)=O O=[N+]([O-])[*:1] Cc1cc(N)c(cc1S(N)(=O)=O)[*:1]
CCOC(=O)C1=C(Cn2ncc(Cl)c(Cl)c2=O)NC(=O)N[C@H]1c1ccc(C)o1 CCOC(=O)[*:1] Cc1ccc(o1)[C@@H]1NC(=O)NC(Cn2ncc(Cl)c(Cl)c2=O)=C1[*:1]
CCOC(=O)C1=C(Cn2ncc(Cl)c(Cl)c2=O)NC(=O)N[C@H]1c1ccc(C)o1 O=c1c(Cl)c(Cl)cnn1[*:1] CCOC(=O)C1=C(C[*:1])NC(=O)N[C@H]1c1ccc(C)o1
CCOC(=O)C1=C(Cn2ncc(Cl)c(Cl)c2=O)NC(=O)N[C@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] CCOC(=O)C1=C(Cn2ncc(Cl)c(Cl)c2=O)NC(=O)N[C@@H]1[*:1]
C[NH2+][C@@H]1[C@H](SC[C@@H](C)CO)CCC1(C)C C[C@@H](CO)[*:1] C[NH2+][C@@H]1[C@@H](CCC1(C)C)SC[*:1]
C[NH2+][C@@H]1[C@H](SC[C@@H](C)CO)CCC1(C)C C[C@@H](CO)C[*:1] C[NH2+][C@@H]1[C@@H](CCC1(C)C)S[*:1]
Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2csc(-c3ncccn3)n2)c1 Cc1cnn(c1)[*:1] C[C@@H]([NH2+]Cc1csc(n1)-c1ncccn1)[C@@H](C)[*:1]
Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2csc(-c3ncccn3)n2)c1 c1cnc(nc1)[*:1] Cc1cnn(c1)[C@H](C)[C@@H](C)[NH2+]Cc1csc(n1)[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1 O=C(NC1CCCCC1)[*:1] O=C(c1ccco1)N(Cc1ccc2OCOc2c1)[C@H](c1ccccc1)[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1 c1cc2OCOc2cc1[*:1] O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C[*:1])C(=O)c1ccco1
O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1 c1cc2OCOc2cc1C[*:1] O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1 c1coc(c1)[*:1] O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccc2OCOc2c1)C(=O)[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@@H](c1ccccc1)N(Cc1ccc2OCOc2c1)C(=O)c1ccco1
O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@@H](N(Cc1ccc2OCOc2c1)C(=O)c1ccco1)[*:1]
CC[C@@H](C)NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)c1c(-c2ccccc2)c(nn(C)c1=O)[*:1]
CC[C@@H](C)NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)c1c(c(nn(C)c1=O)-c1ccccc1)[*:1]
COc1ccccc1N1C(=[NH2+])NC[C@@]1(C)c1ccncc1 c1cc(ccn1)[*:1] COc1ccccc1N1C(=[NH2+])NC[C@]1(C)[*:1]
CCc1nncn1CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 CCc1nncn1CC[*:1] C[C@H]1CN(CC2CCN(CC2)C(=O)N[*:1])C[C@H](C)O1
CCc1nncn1CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 CCc1nncn1C[*:1] C[C@H]1CN(CC2CCN(CC2)C(=O)NC[*:1])C[C@H](C)O1
CCc1nncn1CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 CCc1nncn1[*:1] C[C@H]1CN(CC2CCN(CC2)C(=O)NCC[*:1])C[C@H](C)O1
Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)S(=O)(=O)[C@@H](C)C(=O)Nc1ccccc1[*:1]
O=C(Nc1cccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)c1)C1CC1 O=C(N[*:1])C1CC1 O=C1CCCN1c1ccc(cc1)-c1csc(n1)-c1cccc(c1)[*:1]
O=C(Nc1cccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)c1)C1CC1 O=C1CCCN1[*:1] O=C(Nc1cccc(c1)-c1nc(cs1)-c1ccc(cc1)[*:1])C1CC1
O=C(Nc1cccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)c1)C1CC1 C1CC1[*:1] O=C1CCCN1c1ccc(cc1)-c1csc(n1)-c1cccc(c1)NC(=O)[*:1]
CCCNC(=O)[C@@H](C)n1c(=O)n(-c2ccc(C(C)=O)cc2)c(=O)c2ccccc21 CC(=O)c1ccc(cc1)[*:1] CCCNC(=O)[C@@H](C)n1c(=O)n(c(=O)c2ccccc21)[*:1]
CCCNC(=O)[C@@H](C)n1c(=O)n(-c2ccc(C(C)=O)cc2)c(=O)c2ccccc21 CCCNC(=O)[*:1] CC(=O)c1ccc(cc1)-n1c(=O)c2ccccc2n(c1=O)[C@H](C)[*:1]
CCCNC(=O)[C@@H](C)n1c(=O)n(-c2ccc(C(C)=O)cc2)c(=O)c2ccccc21 CCC[*:1] CC(=O)c1ccc(cc1)-n1c(=O)c2ccccc2n(c1=O)[C@H](C)C(=O)N[*:1]
CCCNC(=O)[C@@H](C)n1c(=O)n(-c2ccc(C(C)=O)cc2)c(=O)c2ccccc21 CC(=O)[*:1] CCCNC(=O)[C@@H](C)n1c(=O)n(-c2ccc(cc2)[*:1])c(=O)c2ccccc21
C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1F)N1C(=O)c2ccccc2C1=O O=[N+]([O-])[*:1] C[C@@H](C(=O)Nc1cc(ccc1F)[*:1])N1C(=O)c2ccccc2C1=O
CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 Fc1cccc(F)c1[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccc(Cl)c(Cl)c1
CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)[*:1]
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)[C@@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)[C@@H]1C[C@H]1[*:1]
COc1ccc(-c2ncc(C(=O)N[C@H](C)CS(C)(=O)=O)s2)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)N[C@H](C)C[*:1]
COc1ccc(-c2ncc(C(=O)N[C@H](C)CS(C)(=O)=O)s2)cc1 CS(=O)(=O)C[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)N[C@H](C)[*:1]
CSCC[C@H](NC(=O)C[NH3+])C(=O)[O-] CSCC[*:1] [NH3+]CC(=O)N[C@H](C(=O)[O-])[*:1]
CSCC[C@H](NC(=O)C[NH3+])C(=O)[O-] O=C([O-])[*:1] CSCC[C@H](NC(=O)C[NH3+])[*:1]
CSCC[C@H](NC(=O)C[NH3+])C(=O)[O-] CSC[*:1] [NH3+]CC(=O)N[C@@H](C[*:1])C(=O)[O-]
C[S@@](=O)c1ccc(NC(=O)N(CCO)CCCO)cc1F OCCC[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)N(CCO)[*:1]
C[S@@](=O)c1ccc(NC(=O)N(CCO)CCCO)cc1F OCC[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)N(CCO)C[*:1]
C[S@@](=O)c1ccc(NC(=O)N(CCO)CCCO)cc1F OCC[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)N(CCCO)[*:1]
CC(=O)NCCCN(C)C(=O)N[C@H](C)c1ccc(Cl)s1 CC(=O)N[*:1] C[C@@H](NC(=O)N(C)CCC[*:1])c1ccc(Cl)s1
CC(=O)NCCCN(C)C(=O)N[C@H](C)c1ccc(Cl)s1 CC(=O)NC[*:1] C[C@@H](NC(=O)N(C)CC[*:1])c1ccc(Cl)s1
CC(=O)NCCCN(C)C(=O)N[C@H](C)c1ccc(Cl)s1 CC(=O)NCC[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1ccc(Cl)s1
CC(=O)NCCCN(C)C(=O)N[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC(=O)NCCCN(C)C(=O)N[C@H](C)[*:1]
C[C@@H](CNC(=O)C1=Cc2ccccc2OC1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)C1=Cc2ccccc2OC1)[*:1]
C[C@@H](CNC(=O)C1=Cc2ccccc2OC1)c1ccsc1 C[C@@H](c1ccsc1)[*:1] O=C(NC[*:1])C1=Cc2ccccc2OC1
Cc1ccc(O[C@@H](C)CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)O[C@@H](C)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1)[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1)O[*:1]
C[NH2+][C@@H](C)c1cnc(CCC(F)(F)F)nc1C FC(F)(F)[*:1] C[NH2+][C@@H](C)c1cnc(CC[*:1])nc1C
C[NH2+][C@@H](C)c1cnc(CCC(F)(F)F)nc1C FC(F)(F)C[*:1] C[NH2+][C@@H](C)c1cnc(C[*:1])nc1C
Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)n1[*:1]
Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)n1C1CC1 FC(F)(F)C[*:1] Cc1cc(C(=O)Nc2ccccc2O[*:1])c(C)n1C1CC1
Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)n1C1CC1 FC(F)(F)CO[*:1] Cc1cc(C(=O)Nc2ccccc2[*:1])c(C)n1C1CC1
Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)n1C1CC1 FC(F)(F)[*:1] Cc1cc(C(=O)Nc2ccccc2OC[*:1])c(C)n1C1CC1
CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cc(C)cc(C)c1
CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(C)cc1 Cc1cc(C)cc(c1)[*:1] CCn1c(nnc1-c1ccc(C)cc1)SCC(=O)N[*:1]
CCOC(=O)N1CCC(OC(=O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCOC(=O)N1CCC(CC1)OC(=O)C[*:1]
CCOC(=O)N1CCC(OC(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)OC(=O)CC[*:1]
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 Clc1ccccc1[*:1] CN1CCC/C1=N\S(=O)(=O)c1cccc(c1)NC(=O)[C@@H]1C[C@@H]1[*:1]
C[NH2+]Cc1sc(N(C)[C@@H](C)Cc2cccs2)nc1C1CC1 c1csc(c1)C[*:1] C[NH2+]Cc1sc(nc1C1CC1)N(C)[C@@H](C)[*:1]
C[NH2+]Cc1sc(N(C)[C@@H](C)Cc2cccs2)nc1C1CC1 c1csc(c1)[*:1] C[NH2+]Cc1sc(nc1C1CC1)N(C)[C@@H](C)C[*:1]
C[NH2+]Cc1sc(N(C)[C@@H](C)Cc2cccs2)nc1C1CC1 C1CC1[*:1] C[NH2+]Cc1sc(nc1[*:1])N(C)[C@@H](C)Cc1cccs1
O=C(Nc1cc(F)ccc1F)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 Fc1ccc(F)c(c1)[*:1] O=C(N[*:1])c1cccc(c1)N1NC(=O)[C@H]2CC=CC[C@@H]2C1=O
CCN(CC)C(=O)c1c(C)nc(N)nc1-c1ccccc1Cl CCN(CC)C(=O)[*:1] Cc1nc(N)nc(-c2ccccc2Cl)c1[*:1]
CCN(CC)C(=O)c1c(C)nc(N)nc1-c1ccccc1Cl Clc1ccccc1[*:1] CCN(CC)C(=O)c1c(C)nc(N)nc1[*:1]
CC(=O)Nc1c(C#N)sc2nc3c(cc12)CCC3 CC(=O)N[*:1] N#Cc1sc2nc3CCCc3cc2c1[*:1]
Cc1ccc(C)c(CC(=O)Oc2ccc(S(=O)(=O)N(C)C)cc2)c1 Cc1ccc(C)c(c1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)OC(=O)C[*:1]
Cc1ccc(C)c(CC(=O)Oc2ccc(S(=O)(=O)N(C)C)cc2)c1 CN(C)S(=O)(=O)[*:1] Cc1ccc(C)c(c1)CC(=O)Oc1ccc(cc1)[*:1]
C[C@@H](C(=O)[O-])[C@H]1CCOC2(CCCCC2)C1 O=C([O-])[*:1] C[C@@H]([C@H]1CCOC2(CCCCC2)C1)[*:1]
C[C@@H](C(=O)[O-])[C@H]1CCOC2(CCCCC2)C1 C[C@@H](C(=O)[O-])[*:1] C1CCC2(CC1)C[C@H](CCO2)[*:1]
COc1ccc(C[NH+]2CCCN(c3nc(C)ns3)CC2)c2ccccc12 Cc1nsc(n1)[*:1] COc1ccc(C[NH+]2CCCN(CC2)[*:1])c2ccccc12
C[NH2+]C[C@H]1CCCO[C@@H]1c1cncn1C(C)C CC(C)[*:1] C[NH2+]C[C@H]1CCCO[C@@H]1c1cncn1[*:1]
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc(/C=C(/C#N)c2nc(cs2)[*:1])cc1
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 COC(=O)[*:1] N#C/C(=C/c1ccc(cc1)[*:1])c1nc(cs1)-c1ccc(F)cc1
CC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 CC[C@@H](C)[*:1] N#Cc1c(NC(=O)[*:1])sc2CCCCCc21
C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(Cl)nn1 C=C(C)C[*:1] CCN(C(=O)[C@H](C)Sc1ccc(Cl)nn1)[*:1]
C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(Cl)nn1 C=C(C)[*:1] CCN(C[*:1])C(=O)[C@H](C)Sc1ccc(Cl)nn1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)C1=O)[*:1]
Cc1ccc([C@H](C)NS(=O)(=O)CCC2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](C)NS(=O)(=O)CC[*:1]
Cc1ccc([C@H](C)NS(=O)(=O)CCC2CC2)cc1 C1CC1C[*:1] Cc1ccc(cc1)[C@H](C)NS(=O)(=O)C[*:1]
Cc1ccc([C@H](C)NS(=O)(=O)CCC2CC2)cc1 C1CC1CC[*:1] Cc1ccc(cc1)[C@H](C)NS(=O)(=O)[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(CCC)nn2C)C1 CCC[*:1] CCCCNC(=O)[C@@H]1CCCN(C1)C(=O)Nc1cc(nn1C)[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(CCC)nn2C)C1 CCC[*:1] CCCc1cc(NC(=O)N2CCC[C@H](C2)C(=O)NC[*:1])n(C)n1
CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(CCC)nn2C)C1 CCCC[*:1] CCCc1cc(NC(=O)N2CCC[C@H](C2)C(=O)N[*:1])n(C)n1
CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(CCC)nn2C)C1 CCCCNC(=O)[*:1] CCCc1cc(NC(=O)N2CCC[C@H](C2)[*:1])n(C)n1
CCOc1ccc(C(=O)N[C@H](CO)c2ccccc2F)cc1[N+](=O)[O-] Fc1ccccc1[*:1] CCOc1ccc(cc1[N+](=O)[O-])C(=O)N[C@H](CO)[*:1]
CCOc1ccc(C(=O)N[C@H](CO)c2ccccc2F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])C(=O)N[C@H](CO)c1ccccc1F
CCOc1ccc(C(=O)N[C@H](CO)c2ccccc2F)cc1[N+](=O)[O-] CCO[*:1] O=C(N[C@H](CO)c1ccccc1F)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[C@H](CCCO)NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl OCC[*:1] C[C@H](C[*:1])NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl
C[C@H](CCCO)NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl OCCC[*:1] C[C@H](NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)[*:1]
C[C@H](CCCO)NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl C[C@H](CCCO)[*:1] O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)N[*:1]
Cc1cccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c1O c1c[nH]c(n1)[*:1] Cc1cccc(C(=O)Nc2cccc(c2)[*:1])c1O
O=C(CSc1nncs1)Nc1cccc(-c2noc([O-])n2)c1 c1nnc(S[*:1])s1 O=C(C[*:1])Nc1cccc(c1)-c1noc([O-])n1
O=C(CSc1nncs1)Nc1cccc(-c2noc([O-])n2)c1 [O-]c1nc(no1)[*:1] O=C(CSc1nncs1)Nc1cccc(c1)[*:1]
O=C(CSc1nncs1)Nc1cccc(-c2noc([O-])n2)c1 c1nnc(SC[*:1])s1 O=C(Nc1cccc(c1)-c1noc([O-])n1)[*:1]
O=C(CSc1nncs1)Nc1cccc(-c2noc([O-])n2)c1 c1nnc(s1)[*:1] O=C(CS[*:1])Nc1cccc(c1)-c1noc([O-])n1
C#CCCNC(=O)Nc1ccccc1C C#CC[*:1] Cc1ccccc1NC(=O)NC[*:1]
C#CCCNC(=O)Nc1ccccc1C C#CCC[*:1] Cc1ccccc1NC(=O)N[*:1]
Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] Cc1cc(C(=O)CSc2nnc(N[*:1])s2)c(C)n1[C@H]1CCS(=O)(=O)C1
Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1[C@H]1CCS(=O)(=O)C1 C1CC1Nc1nnc(s1)[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1[C@H]1CCS(=O)(=O)C1
Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1[C@H]1CCS(=O)(=O)C1 C1CC1N[*:1] Cc1cc(C(=O)CSc2nnc(s2)[*:1])c(C)n1[C@H]1CCS(=O)(=O)C1
COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccno3)sc2c1 c1cc(on1)[*:1] COc1ccc2nc(sc2c1)N(CC[NH+](C)C)C(=O)[*:1]
C[NH2+]Cc1ccc(OCc2ccccc2[N+](=O)[O-])cn1 O=[N+]([O-])[*:1] C[NH2+]Cc1ccc(cn1)OCc1ccccc1[*:1]
C[C@H](NC(=O)c1cccc(C(N)=O)c1)C(c1ccccc1)c1ccccc1 NC(=O)[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])C(c1ccccc1)c1ccccc1
C[C@H](NC(=O)c1cccc(C(N)=O)c1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccc(c1)C(N)=O)C(c1ccccc1)[*:1]
C[C@H](NC(=O)c1cccc(C(N)=O)c1)C(c1ccccc1)c1ccccc1 NC(=O)c1cccc(c1)[*:1] C[C@H](NC(=O)[*:1])C(c1ccccc1)c1ccccc1
O=C(Nc1ccc(Oc2cccnc2)nc1)C(=O)NC1CC=CC1 c1cncc(c1)O[*:1] O=C(Nc1ccc(nc1)[*:1])C(=O)NC1CC=CC1
O=C(Nc1ccc(Oc2cccnc2)nc1)C(=O)NC1CC=CC1 c1cncc(c1)[*:1] O=C(Nc1ccc(nc1)O[*:1])C(=O)NC1CC=CC1
CCCS(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 CCC[*:1] O=S(=O)(N1CCO[C@H]2CCCC[C@@H]21)[*:1]
Cc1cccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)N1CCC(CC1)c1nnc(s1)C(=O)N[*:1]
Cc1cccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1 O=C(Nc1ccccc1)[*:1] Cc1cccc(c1)S(=O)(=O)N1CCC(CC1)c1nnc(s1)[*:1]
Cc1cccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1)c1nnc(s1)C1CCN(CC1)S(=O)(=O)[*:1]
CCn1cc(C(=O)c2cc(Cl)ccc2O)cc1-c1nc2ccccc2c(=O)[nH]1 Oc1ccc(Cl)cc1[*:1] CCn1cc(cc1-c1nc2ccccc2c(=O)[nH]1)C(=O)[*:1]
Cc1c(C)c2ccc3c(c2oc1=O)C[NH+](Cc1ccccn1)CO3 c1ccc(C[*:1])nc1 Cc1c(C)c2ccc3OC[NH+](Cc3c2oc1=O)[*:1]
Cc1c(C)c2ccc3c(c2oc1=O)C[NH+](Cc1ccccn1)CO3 c1ccc(nc1)[*:1] Cc1c(C)c2ccc3OC[NH+](Cc3c2oc1=O)C[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)C[NH+](C)Cc1ccccc1Cl Cc1cccc(C)c1[*:1] C[NH+](CC(=O)NCC(=O)N[*:1])Cc1ccccc1Cl
Cc1cccc(C)c1NC(=O)CNC(=O)C[NH+](C)Cc1ccccc1Cl Clc1ccccc1C[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)C[NH+](C)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)C[NH+](C)Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)C[NH+](C)C[*:1]
O=C([O-])c1ccc(NC(=O)[C@@H]2COCCO2)cc1O O=C([O-])[*:1] O=C(Nc1ccc(c(O)c1)[*:1])[C@@H]1COCCO1
O=C([O-])c1ccc(NC(=O)[C@@H]2COCCO2)cc1O C1CO[C@@H](CO1)[*:1] O=C([O-])c1ccc(cc1O)NC(=O)[*:1]
CN(CCC(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)Nc1ccc(F)cc1
CN(CCC(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1)S(C)(=O)=O CN(C[*:1])S(C)(=O)=O O=C(C[*:1])N1CCC[C@@H](C1)Nc1ccc(F)cc1
CN(CCC(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1)S(C)(=O)=O CN(CC[*:1])S(C)(=O)=O O=C(N1CCC[C@@H](C1)Nc1ccc(F)cc1)[*:1]
CN(CCC(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1)S(C)(=O)=O Fc1ccc(cc1)N[*:1] CN(CCC(=O)N1CCC[C@H](C1)[*:1])S(C)(=O)=O
CN(CCC(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1)S(C)(=O)=O Fc1ccc(cc1)[*:1] CN(CCC(=O)N1CCC[C@@H](C1)N[*:1])S(C)(=O)=O
CCC[C@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@@H]1[NH3+] CCC[*:1] [NH3+][C@H]1CN(C[C@@H]1[*:1])C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Cc1csc(N2CCN(C(=O)Cc3c(C)nn(-c4ccc(Cl)cc4)c3C)CC2)n1 Cc1csc(n1)[*:1] Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCN(CC1)[*:1]
Cc1csc(N2CCN(C(=O)Cc3c(C)nn(-c4ccc(Cl)cc4)c3C)CC2)n1 Clc1ccc(cc1)[*:1] Cc1csc(n1)N1CCN(CC1)C(=O)Cc1c(C)nn(c1C)[*:1]
CN(CC1CC[NH+](C)CC1)C(=O)c1csc(C#CCN)c1 NCC#C[*:1] CN(CC1CC[NH+](C)CC1)C(=O)c1csc(c1)[*:1]
CCOC(=O)[C@@H]1CCCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCCN1C(=O)c1cn(nn1)C(c1ccccc1)[*:1]
CCOC(=O)[C@@H]1CCCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 CCOC(=O)[*:1] O=C(c1cn(nn1)C(c1ccccc1)c1ccccc1)N1CCCC[C@H]1[*:1]
Cc1cnc([C@H](C)NC(=O)Nc2ccccc2CC(F)(F)F)s1 FC(F)(F)C[*:1] Cc1cnc(s1)[C@H](C)NC(=O)Nc1ccccc1[*:1]
Cc1cnc([C@H](C)NC(=O)Nc2ccccc2CC(F)(F)F)s1 FC(F)(F)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)Nc1ccccc1C[*:1]
Cc1cnc([C@H](C)NC(=O)Nc2ccccc2CC(F)(F)F)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)Nc1ccccc1CC(F)(F)F)[*:1]
COc1ccc([C@@H](NCc2cccnc2-n2cncn2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NCc1cccnc1-n1cncn1)[*:1]
COc1ccc([C@@H](NCc2cccnc2-n2cncn2)C2CC2)cc1 c1ncn(n1)[*:1] COc1ccc(cc1)[C@@H](NCc1cccnc1[*:1])C1CC1
COc1ccc([C@@H](NCc2cccnc2-n2cncn2)C2CC2)cc1 COc1ccc(cc1)[*:1] c1cnc(c(c1)CN[C@@H](C1CC1)[*:1])-n1cncn1
C#CCNC(=O)N(C)Cc1cccc(C#N)c1 C#CC[*:1] CN(Cc1cccc(C#N)c1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[C@H](C)[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[C@H](C)c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccccc2)cc1 C[C@H](c1ccccc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[*:1])c1ccccc1
O=C(Nc1ccccc1OCC(F)(F)C(F)F)c1ccccc1O FC(F)C(F)(F)C[*:1] O=C(Nc1ccccc1O[*:1])c1ccccc1O
O=C(Nc1ccccc1OCC(F)(F)C(F)F)c1ccccc1O FC(F)C(F)(F)[*:1] O=C(Nc1ccccc1OC[*:1])c1ccccc1O
O=C(Nc1ccccc1OCC(F)(F)C(F)F)c1ccccc1O FC(F)[*:1] O=C(Nc1ccccc1OCC(F)(F)[*:1])c1ccccc1O
O=C(Nc1ccccc1OCC(F)(F)C(F)F)c1ccccc1O Oc1ccccc1[*:1] O=C(Nc1ccccc1OCC(F)(F)C(F)F)[*:1]
O=C(Nc1ccccc1OCC(F)(F)C(F)F)c1ccccc1O FC(F)C(F)(F)CO[*:1] O=C(Nc1ccccc1[*:1])c1ccccc1O
CCCc1nn(C)c2c1nc(CCl)n2C[C@@H](C)[NH+](C)C CCC[*:1] C[C@H](Cn1c(CCl)nc2c(nn(C)c21)[*:1])[NH+](C)C
CO[C@H](C)c1noc(Cn2cc(N)cn2)n1 CO[C@H](C)[*:1] Nc1cnn(c1)Cc1nc(no1)[*:1]
CCc1nc2c(s1)[C@H](N(C)C(=O)c1cnn(C(C)C)c1C)CCC2 CC(C)[*:1] CCc1nc2CCC[C@H](c2s1)N(C)C(=O)c1cnn(c1C)[*:1]
COc1ccc([C@@](O)(C(=O)NNc2ccc(C)cc2)c2cccs2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@](O)(C(=O)NN[*:1])c1cccs1
COc1ccc([C@@](O)(C(=O)NNc2ccc(C)cc2)c2cccs2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)NNC(=O)[C@](O)(c1cccs1)[*:1]
COc1ccc([C@@](O)(C(=O)NNc2ccc(C)cc2)c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)[C@@](O)(C(=O)NNc1ccc(C)cc1)[*:1]
COC(=O)c1nn(C[C@H](O)c2cccc(F)c2)c2c1CCCC2 Fc1cccc(c1)[*:1] COC(=O)c1nn(C[C@H](O)[*:1])c2CCCCc12
COC(=O)c1nn(C[C@H](O)c2cccc(F)c2)c2c1CCCC2 COC(=O)[*:1] O[C@@H](Cn1nc(c2CCCCc21)[*:1])c1cccc(F)c1
Cn1c(SCC(=O)NC(=O)NCc2cccs2)nnc1C1CC1 c1csc(c1)C[*:1] Cn1c(nnc1C1CC1)SCC(=O)NC(=O)N[*:1]
Cn1c(SCC(=O)NC(=O)NCc2cccs2)nnc1C1CC1 c1csc(c1)[*:1] Cn1c(nnc1C1CC1)SCC(=O)NC(=O)NC[*:1]
Cn1c(SCC(=O)NC(=O)NCc2cccs2)nnc1C1CC1 C1CC1[*:1] Cn1c(nnc1[*:1])SCC(=O)NC(=O)NCc1cccs1
O=C(Nc1cccnc1)c1ccc(F)c(C(F)(F)F)c1 c1cncc(c1)[*:1] O=C(N[*:1])c1ccc(F)c(c1)C(F)(F)F
O=C(Nc1cccnc1)c1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Nc1cccnc1)c1ccc(F)c(c1)[*:1]
CO[C@@H](CNC(=O)c1ncoc1C(C)C)c1cccc(Cl)c1 CC(C)[*:1] CO[C@@H](CNC(=O)c1ncoc1[*:1])c1cccc(Cl)c1
CO[C@@H](CNC(=O)c1ncoc1C(C)C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@@H](CNC(=O)c1ncoc1C(C)C)[*:1]
N[C@H]1N/C(=N\c2ccccc2)NC(CSc2nnc(-c3ccncc3)o2)=[NH+]1 c1cc(ccn1)[*:1] N[C@H]1N/C(=N\c2ccccc2)NC(CSc2nnc(o2)[*:1])=[NH+]1
N[C@H]1N/C(=N\c2ccccc2)NC(CSc2nnc(-c3ccncc3)o2)=[NH+]1 c1ccc(cc1)[*:1] N[C@H]1NC(=N[*:1])NC(CSc2nnc(o2)-c2ccncc2)=[NH+]1
O=C(c1ccc([C@@H]2CCCN2C(=O)c2ccno2)s1)N1CCCOCC1 c1cc(on1)[*:1] O=C(c1ccc(s1)[C@@H]1CCCN1C(=O)[*:1])N1CCCOCC1
N#CC1(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)CCCCC1 N#CC1(CCCCC1)[*:1] O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N[*:1]
CCCNC(=O)C[S@@](=O)Cc1ccc(I)cc1 CCC[*:1] O=C(C[S@@](=O)Cc1ccc(I)cc1)N[*:1]
CC(C)c1noc(C[NH+]2CCN(c3ncccn3)CC2)n1 c1cnc(nc1)[*:1] CC(C)c1noc(C[NH+]2CCN(CC2)[*:1])n1
CC(C)c1noc(C[NH+]2CCN(c3ncccn3)CC2)n1 CC(C)[*:1] c1cnc(nc1)N1CC[NH+](CC1)Cc1nc(no1)[*:1]
Cn1cccc1[C@H]1CCCCN1C(=O)CCCS(C)(=O)=O CS(=O)(=O)CCC[*:1] Cn1cccc1[C@H]1CCCCN1C(=O)[*:1]
Cn1cccc1[C@H]1CCCCN1C(=O)CCCS(C)(=O)=O CS(=O)(=O)CC[*:1] Cn1cccc1[C@H]1CCCCN1C(=O)C[*:1]
Cn1cccc1[C@H]1CCCCN1C(=O)CCCS(C)(=O)=O Cn1cccc1[*:1] CS(=O)(=O)CCCC(=O)N1CCCC[C@@H]1[*:1]
Cn1cccc1[C@H]1CCCCN1C(=O)CCCS(C)(=O)=O CS(=O)(=O)[*:1] Cn1cccc1[C@H]1CCCCN1C(=O)CCC[*:1]
Cn1cccc1[C@H]1CCCCN1C(=O)CCCS(C)(=O)=O CS(=O)(=O)C[*:1] Cn1cccc1[C@H]1CCCCN1C(=O)CC[*:1]
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1O[C@H](C)C(=O)N[*:1])C(C)C
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1O[C@H](C)C(=O)NC[*:1])C(C)C
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC[C@@H]1CCCO1 CC(C)[*:1] Cc1ccc(cc1O[C@H](C)C(=O)NC[C@@H]1CCCO1)[*:1]
CC(=O)Nc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1 CC(=O)N[*:1] O=C(CCCC[C@H]1CCSS1)Nc1ccc(cc1)[*:1]
[NH3+]CC1([C@@H](O)c2cccs2)CCCCCC1 c1csc(c1)[*:1] [NH3+]CC1(CCCCCC1)[C@@H](O)[*:1]
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(Cl)cc1Cl)CC2 CC(C)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1ccc(Cl)cc1Cl)N[*:1]
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(Cl)cc1Cl)CC2 CC(C)NC(=O)N[*:1] O=C(c1ccc(Cl)cc1Cl)N1CCc2nc(sc2C1)[*:1]
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(Cl)cc1Cl)CC2 Clc1ccc(c(Cl)c1)[*:1] CC(C)NC(=O)Nc1nc2CCN(Cc2s1)C(=O)[*:1]
CSc1cccc(NC(=O)CSc2cc(-c3ccccn3)nc(C)n2)c1 c1ccc(nc1)[*:1] CSc1cccc(c1)NC(=O)CSc1cc(nc(C)n1)[*:1]
CSc1cccc(NC(=O)CSc2cc(-c3ccccn3)nc(C)n2)c1 CSc1cccc(c1)[*:1] Cc1nc(cc(n1)-c1ccccn1)SCC(=O)N[*:1]
CCOC(=O)CN(Cc1[nH+]c(C)ccc1[O-])C1CCCCC1 CCOC(=O)C[*:1] Cc1ccc([O-])c(CN(C2CCCCC2)[*:1])[nH+]1
CCOC(=O)CN(Cc1[nH+]c(C)ccc1[O-])C1CCCCC1 C1CCC(CC1)[*:1] CCOC(=O)CN(Cc1[nH+]c(C)ccc1[O-])[*:1]
CCOC(=O)CN(Cc1[nH+]c(C)ccc1[O-])C1CCCCC1 CCOC(=O)[*:1] Cc1ccc([O-])c(CN(C[*:1])C2CCCCC2)[nH+]1
O=C1CCCC2=C1[C@H](c1ccc(O)cc1)n1ncnc1N2 Oc1ccc(cc1)[*:1] O=C1CCCC2Nc3ncnn3[C@@H](C=21)[*:1]
CC(C)C[C@H]([NH2+]C[C@@](C)(O)C#Cc1ccccc1)C(=O)[O-] CC(C)[*:1] C[C@](O)(C#Cc1ccccc1)C[NH2+][C@@H](C[*:1])C(=O)[O-]
CC(C)C[C@H]([NH2+]C[C@@](C)(O)C#Cc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CC(C)C[C@H]([NH2+]C[C@@](C)(O)C#C[*:1])C(=O)[O-]
CC(C)C[C@H]([NH2+]C[C@@](C)(O)C#Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H]([NH2+]C[C@@](C)(O)C#Cc1ccccc1)[*:1]
CC(C)C[C@H]([NH2+]C[C@@](C)(O)C#Cc1ccccc1)C(=O)[O-] CC(C)C[*:1] C[C@](O)(C#Cc1ccccc1)C[NH2+][C@H](C(=O)[O-])[*:1]
Cn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1F Fc1ccccc1[*:1] Cn1c(nnc1[*:1])SCC(=O)NC12CC3CC(CC(C3)C1)C2
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 CC(=O)N[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1ccccc1
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H](C)[*:1]
COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1N1CCCC1=O O=C1CCCN1[*:1] COc1cc(ccc1[*:1])NC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1N1CCCC1=O c1ccc(cc1)[*:1] COc1cc(ccc1N1CCCC1=O)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(F)c(-c2nc(CN(C)Cc3nc(-c4ccccc4)no3)c(C)o2)c1 COc1ccc(F)c(c1)[*:1] Cc1oc(nc1CN(C)Cc1nc(no1)-c1ccccc1)[*:1]
COc1ccc(F)c(-c2nc(CN(C)Cc3nc(-c4ccccc4)no3)c(C)o2)c1 c1ccc(cc1)[*:1] COc1ccc(F)c(c1)-c1nc(CN(C)Cc2nc(no2)[*:1])c(C)o1
COc1cc(F)c([C@H](C)NC(=O)c2ccccc2C(C)=O)cc1OC CC(=O)[*:1] COc1cc(F)c(cc1OC)[C@H](C)NC(=O)c1ccccc1[*:1]
C[C@H](c1ccccn1)[C@@H]([NH3+])CCc1ccco1 c1coc(c1)[*:1] C[C@H](c1ccccn1)[C@@H]([NH3+])CC[*:1]
CC(C)c1cc(C(=O)[O-])nn1-c1ccc(Cl)cc1Cl CC(C)[*:1] O=C([O-])c1cc(n(n1)-c1ccc(Cl)cc1Cl)[*:1]
CC(C)c1cc(C(=O)[O-])nn1-c1ccc(Cl)cc1Cl O=C([O-])[*:1] CC(C)c1cc(nn1-c1ccc(Cl)cc1Cl)[*:1]
Cc1nc(C(F)(F)F)nc(Nc2ccc(Br)cc2)c1C#N FC(F)(F)[*:1] Cc1nc(nc(Nc2ccc(Br)cc2)c1C#N)[*:1]
Cc1nc(C(F)(F)F)nc(Nc2ccc(Br)cc2)c1C#N Brc1ccc(cc1)[*:1] Cc1nc(nc(N[*:1])c1C#N)C(F)(F)F
O=C(c1cncnc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(c1cncnc1)c1cccc(c1)[*:1]
O=C(c1cncnc1)c1cccc(C(F)(F)F)c1 c1ncc(cn1)[*:1] O=C(c1cccc(c1)C(F)(F)F)[*:1]
COC(=O)c1ccc(S(=O)(=O)/N=c2/[nH]c(C(C)C)cs2)cc1 CC(C)[*:1] COC(=O)c1ccc(cc1)S(=O)(=O)/N=c1/[nH]c(cs1)[*:1]
COC(=O)c1ccc(S(=O)(=O)/N=c2/[nH]c(C(C)C)cs2)cc1 COC(=O)[*:1] CC(C)c1cs/c(=N\S(=O)(=O)c2ccc(cc2)[*:1])[nH]1
CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2c(Cl)nc3ccccn23)C1 CCOC(=O)[*:1] O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCC[C@@H](C1)[*:1]
Cc1nsc(N)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 Cc1nsc(N)c1[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1ccc(cc1)C(N)=O
Cc1nsc(N)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1nsc(N)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc2c(c1)OCCO2 Fc1cccc(c1)[*:1] Cc1onc(c1C(=O)Nc1ccc2OCCOc2c1)[*:1]
O=C(NC1CCCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(NC1CCCCCC1)C1CC[NH+](CC1)C[*:1]
O=C(NC1CCCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] O=C(NC1CCCCCC1)C1CC[NH+](CC1)[*:1]
O=C(NC1CCCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 C1CCCC(CC1)[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1ccc(Cl)cc1
COC(CNc1ccc(Br)c([N+](=O)[O-])c1)OC O=[N+]([O-])[*:1] COC(CNc1ccc(Br)c(c1)[*:1])OC
COC(CNc1ccc(Br)c([N+](=O)[O-])c1)OC COC(OC)[*:1] O=[N+]([O-])c1cc(ccc1Br)NC[*:1]
CCc1c(C(=O)CN(C)[C@@H]2CCc3ccccc32)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)CN(C)[C@@H]1CCc2ccccc21
CN1C(=O)[C@]2(CC[NH2+][C@H]2c2ccc(O)cc2)c2ccccc21 Oc1ccc(cc1)[*:1] CN1C(=O)[C@]2(CC[NH2+][C@@H]2[*:1])c2ccccc21
CC(=O)c1cccc(NC(=O)c2coc(C)n2)c1 CC(=O)[*:1] Cc1nc(co1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)c2coc(C)n2)c1 Cc1nc(co1)[*:1] CC(=O)c1cccc(c1)NC(=O)[*:1]
C[C@@H](Sc1ncc2ccccn12)C(=O)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1ncc2ccccn12)C(=O)N(Cc1ccccc1)C[*:1]
C[C@@H](Sc1ncc2ccccn12)C(=O)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Sc1ncc2ccccn12)C(=O)N(Cc1ccccc1)[*:1]
C[C@@H](Sc1ncc2ccccn12)C(=O)N(Cc1ccccc1)Cc1ccccc1 c1ccn2c(ncc2c1)[*:1] C[C@@H](S[*:1])C(=O)N(Cc1ccccc1)Cc1ccccc1
Cc1nn(C)c(C)c1-c1ccnc(NCCOCc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1-c1ccnc(n1)NCCOC[*:1]
Cc1nn(C)c(C)c1-c1ccnc(NCCOCc2ccc(Cl)cc2)n1 Cc1nn(C)c(C)c1[*:1] Clc1ccc(cc1)COCCNc1nccc(n1)[*:1]
Cc1nn(C)c(C)c1-c1ccnc(NCCOCc2ccc(Cl)cc2)n1 Clc1ccc(cc1)C[*:1] Cc1nn(C)c(C)c1-c1ccnc(n1)NCCO[*:1]
Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(I)cc3)n[nH]2)cn1 Ic1ccc(cc1)[*:1] Cn1cc(/C=N/Nc2nc(n[nH]2)SCC(=O)N[*:1])cn1
Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(I)cc3)n[nH]2)cn1 Cn1cc(cn1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])Nc1ccc(I)cc1
Cc1nc2cc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)ccc2n1-c1ccccc1 Clc1cnc(c(Cl)c1)[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)OCC(=O)N[*:1]
Cc1nc2cc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)ccc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2cc(ccc2n1[*:1])C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
CC(=O)N1CCN(Cc2cccc(NC(=O)C(C)C)n2)CC1 CC(C)C(=O)N[*:1] CC(=O)N1CCN(CC1)Cc1cccc(n1)[*:1]
CC(=O)N1CCN(Cc2cccc(NC(=O)C(C)C)n2)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)Cc1cccc(n1)NC(=O)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N(C)[C@H](C)c3ccco3)cc12 COC(=O)[*:1] C[C@H](c1ccco1)N(C)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N(C)[C@H](C)c3ccco3)cc12 c1coc(c1)[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)N(C)[C@H](C)[*:1]
O=C(NCc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1
O=C(NCc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(NCc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1[*:1]
O=C(NCc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1
O=C(NCc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 C1CCC(C1)[*:1] O=C(NCc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N([C@@H]1c1cccs1)[*:1]
CC(=O)N(Cc1ccccc1)[C@H](C(N)=O)C(C)C CC(C)[*:1] CC(=O)N(Cc1ccccc1)[C@H](C(N)=O)[*:1]
CC(=O)N(Cc1ccccc1)[C@H](C(N)=O)C(C)C c1ccc(cc1)[*:1] CC(=O)N(C[*:1])[C@H](C(N)=O)C(C)C
CC(=O)N(Cc1ccccc1)[C@H](C(N)=O)C(C)C NC(=O)[*:1] CC(=O)N(Cc1ccccc1)[C@H](C(C)C)[*:1]
C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(N2CCC(O)CC2)cc1 OC1CCN(CC1)[*:1] C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(cc1)[*:1]
COc1ccc([C@@H]([NH2+]Cc2ccccc2OC)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]([NH2+]Cc1ccccc1OC)[*:1]
COc1ccc([C@@H]([NH2+]Cc2ccccc2OC)c2ccccc2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1C[NH2+][C@@H](c1ccccc1)[*:1]
COc1ccc([C@@H]([NH2+]Cc2ccccc2OC)c2ccccc2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)[C@@H]([NH2+]C[*:1])c1ccccc1
Cc1cc(C)cc(NC(=O)C(=O)NC[C@](O)(c2cccs2)C2CC2)c1 C1CC1[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)NC[C@](O)(c1cccs1)[*:1]
Cc1cc(C)cc(NC(=O)C(=O)NC[C@](O)(c2cccs2)C2CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NC[C@](O)(c1cccs1)C1CC1)C(=O)N[*:1]
Cc1cc(C)cc(NC(=O)C(=O)NC[C@](O)(c2cccs2)C2CC2)c1 c1csc(c1)[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)NC[C@](O)(C1CC1)[*:1]
CCCN(Cc1ccccc1OC)C(=O)[C@H]1CC(=O)c2ccccc21 CCC[*:1] COc1ccccc1CN(C(=O)[C@H]1CC(=O)c2ccccc21)[*:1]
CCCN(Cc1ccccc1OC)C(=O)[C@H]1CC(=O)c2ccccc21 COc1ccccc1[*:1] CCCN(C[*:1])C(=O)[C@H]1CC(=O)c2ccccc21
O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1 C1CC1[*:1] O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(cc1)[*:1]
Cc1c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)c(=O)n(-c2ccccc2)n1C C1CC1[*:1] Cc1c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)c(=O)n(-c2ccccc2)n1C CC1CCN(CC1)[*:1] Cc1c(NC(=O)CSc2nnc(n2C2CC2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)c(=O)n(n1C)[*:1]
CCOc1ccccc1/C=N/NC(=O)C(=O)N[C@@H](C)c1ccccc1 CCO[*:1] C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1[*:1])c1ccccc1
CCOc1ccccc1/C=N/NC(=O)C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1/C=N/NC(=O)C(=O)N[C@@H](C)[*:1]
CCOc1ccccc1/C=N/NC(=O)C(=O)N[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CCOc1ccccc1/C=N/NC(=O)C(=O)N[*:1]
COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)[C@H]2CC(=O)N(C2)CC(F)(F)F)c(c1C)[*:1]
COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)sc(C)c1C FC(F)(F)C[*:1] COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C2)[*:1])sc(C)c1C
COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)sc(C)c1C FC(F)(F)[*:1] COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(C2)C[*:1])sc(C)c1C
N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(Cl)cc2Cl)sc2c1CCCC2 O=S(=O)(N1CCCCC1)[*:1] N#Cc1c(NC(=O)c2cc(c(Cl)cc2Cl)[*:1])sc2CCCCc21
COC[C@H](C)[C@@H]1CCc2ccccc2[C@@H]1O COC[C@H](C)[*:1] O[C@H]1c2ccccc2CC[C@H]1[*:1]
COC[C@H](C)[C@@H]1CCc2ccccc2[C@@H]1O COC[*:1] C[C@H]([C@@H]1CCc2ccccc2[C@@H]1O)[*:1]
Cc1ccc(F)cc1NC(=O)CSCCC(=O)[O-] O=C([O-])[*:1] Cc1ccc(F)cc1NC(=O)CSCC[*:1]
Cc1ccc(F)cc1NC(=O)CSCCC(=O)[O-] O=C([O-])C[*:1] Cc1ccc(F)cc1NC(=O)CSC[*:1]
Cc1ccc(F)cc1NC(=O)CSCCC(=O)[O-] O=C([O-])CC[*:1] Cc1ccc(F)cc1NC(=O)CS[*:1]
Cc1ccc(F)cc1NC(=O)CSCCC(=O)[O-] O=C([O-])CCS[*:1] Cc1ccc(F)cc1NC(=O)C[*:1]
O=C(Oc1cc([N+](=O)[O-])ccc1Cl)Oc1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(Oc1cc(ccc1Cl)[N+](=O)[O-])Oc1cc(ccc1Cl)[*:1]
O=C1NCCN1[C@@H]1CCCN(c2nc3ccccc3o2)C1 O=C1NCCN1[*:1] c1ccc2oc(nc2c1)N1CCC[C@H](C1)[*:1]
CN(C)C(=O)Sc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1 CN(C)C(=O)S[*:1] O=[N+]([O-])c1cn(cn1)Cc1ccc(cc1)[*:1]
CN(C)C(=O)Sc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CN(C)C(=O)Sc1ccc(cc1)Cn1cnc(c1)[*:1]
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@H](C)C1 CN(C)C(=O)[*:1] CCOc1ccc(cc1NC(=O)N1CCC[C@H](C)C1)[*:1]
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@H](C)C1 CCO[*:1] C[C@H]1CCCN(C1)C(=O)Nc1cc(ccc1[*:1])C(=O)N(C)C
C[C@@H]1CN(C2=NCCN2S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 Clc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C1=NCCN1S(=O)(=O)[*:1]
CNc1cc(C2CC2)nc(-c2ncc[nH]2)n1 c1c[nH]c(n1)[*:1] CNc1cc(nc(n1)[*:1])C1CC1
CNc1cc(C2CC2)nc(-c2ncc[nH]2)n1 C1CC1[*:1] CNc1cc(nc(n1)-c1ncc[nH]1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@@H]1C[C@@H]1C C[C@H]1C[C@H]1[*:1] C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)NCc2sccc2C)c(C)c1 Cc1ccsc1C[*:1] Cc1cc(C)c(NC(=O)CNC(=O)N[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CNC(=O)NCc2sccc2C)c(C)c1 Cc1ccsc1[*:1] Cc1cc(C)c(NC(=O)CNC(=O)NC[*:1])c(C)c1
CCc1ccc(CN(C)C(=O)CSc2ncnc3c2cnn3C)cc1 CCc1ccc(cc1)[*:1] CN(C[*:1])C(=O)CSc1ncnc2c1cnn2C
COc1cccc([C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
COc1cccc([C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)[NH+](C)C)c1 Clc1ccc(cc1Cl)[*:1] COc1cccc(c1)[C@@H](CNC(=O)N[*:1])[NH+](C)C
COc1ccc(COC(=O)[C@H](OC)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)COC(=O)[C@H](OC)[*:1]
CC(C)[C@@H](NC(=O)c1ncccc1C(F)(F)F)c1ccccn1 CC(C)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])c1ncccc1C(F)(F)F
CC(C)[C@@H](NC(=O)c1ncccc1C(F)(F)F)c1ccccn1 FC(F)(F)[*:1] CC(C)[C@@H](NC(=O)c1ncccc1[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)c1ncccc1C(F)(F)F)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)c1ncccc1C(F)(F)F)[*:1]
CC(C)c1cccc(OCC(=O)NCCc2ccc(F)cc2)c1 CC(C)[*:1] O=C(COc1cccc(c1)[*:1])NCCc1ccc(F)cc1
CC(C)c1cccc(OCC(=O)NCCc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CC(C)c1cccc(c1)OCC(=O)NCC[*:1]
O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCS/C1=N\CCc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCS/C1=N\CC[*:1]
O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCS/C1=N\CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCS/C1=N\C[*:1]
O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCS/C1=N\CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCSC1=N[*:1]
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c1 Clc1ccccc1[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nnc(o1)[*:1]
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CSc1nnc(o1)-c1ccccc1Cl)N[*:1]
C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 Fc1ccc(cc1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCc2nc(sc21)[*:1]
C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] C[C@@H](NC[C@@H](O)[*:1])c1ccccc1
C[C@H](C(=O)N1CCO[C@H](c2ccc(F)cc2)C1)n1ccnc1 C[C@H](n1ccnc1)[*:1] O=C(N1CCO[C@@H](C1)c1ccc(F)cc1)[*:1]
C[C@H](C(=O)N1CCO[C@H](c2ccc(F)cc2)C1)n1ccnc1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCO[C@H](C1)[*:1])n1ccnc1
C[C@H](C(=O)N1CCO[C@H](c2ccc(F)cc2)C1)n1ccnc1 c1cn(cn1)[*:1] C[C@H](C(=O)N1CCO[C@@H](C1)c1ccc(F)cc1)[*:1]
CCN1C[C@@H](COC(=O)CCc2nc(C)no2)CC1=O Cc1noc(n1)[*:1] CCN1C[C@@H](COC(=O)CC[*:1])CC1=O
CC(C)(C)[C@H](NC(=O)c1cscn1)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NC(=O)c1cscn1)[*:1]
CC(C)(C)[C@H](NC(=O)c1cscn1)C(N)=O c1nc(cs1)[*:1] CC(C)(C)[C@H](NC(=O)[*:1])C(N)=O
CC(C)(C)[C@H](NC(=O)c1cscn1)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NC(=O)c1cscn1)[*:1]
CCOC(=O)C[C@@H](C)N1CCO[C@H](C#N)C1 CCOC(=O)[*:1] C[C@H](C[*:1])N1CCO[C@H](C#N)C1
COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2Cl)[C@H]1c1cccs1 Clc1ccccc1[*:1] COCCN1C(=O)c2ccccc2[C@H](C(=O)N[*:1])[C@H]1c1cccs1
COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2Cl)[C@H]1c1cccs1 c1csc(c1)[*:1] COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2Cl)[C@@H]1[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2Cl)[C@H]1c1cccs1 COC[*:1] O=C(Nc1ccccc1Cl)[C@H]1c2ccccc2C(=O)N(C[*:1])[C@@H]1c1cccs1
COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2Cl)[C@H]1c1cccs1 O=C(Nc1ccccc1Cl)[*:1] COCCN1C(=O)c2ccccc2[C@H]([C@H]1c1cccs1)[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2Cl)[C@H]1c1cccs1 COCC[*:1] O=C(Nc1ccccc1Cl)[C@H]1c2ccccc2C(=O)N([C@@H]1c1cccs1)[*:1]
CCCn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 C1CN(CCO1)C[*:1] CCCn1c(nc2cc(ccc21)NC(=O)c1ccc(Cl)cc1)[*:1]
CCCn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 C1CN(CCO1)[*:1] CCCn1c(C[*:1])nc2cc(ccc21)NC(=O)c1ccc(Cl)cc1
CCCn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 Clc1ccc(cc1)[*:1] CCCn1c(CN2CCOCC2)nc2cc(ccc21)NC(=O)[*:1]
CCCn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 CCC[*:1] O=C(Nc1ccc2c(c1)nc(CN1CCOCC1)n2[*:1])c1ccc(Cl)cc1
Fc1cc(F)cc(Cc2nnc3sc(-c4ccc5c(c4)OCO5)nn23)c1 Fc1cc(F)cc(c1)[*:1] c1cc2OCOc2cc1-c1nn2c(C[*:1])nnc2s1
Cc1cnc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)s1 Cc1cnc(s1)[*:1] CC(C)(CNC(=O)N[*:1])[NH+]1CCCCC1
Cc1cccc([C@@H]2N[C@@H](c3cccc(C)c3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)[C@@H]1N[C@H]([C@@H]([N+](=O)[O-])C(C)(C)[C@@H]1[N+](=O)[O-])[*:1]
Cc1cccc([C@@H]2N[C@@H](c3cccc(C)c3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cccc(c1)[C@@H]1N[C@@H](c2cccc(C)c2)[C@@H](C(C)(C)[C@@H]1[N+](=O)[O-])[*:1]
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cn1cc(C2CC2)nn1 C1CC1[*:1] N#Cc1cc(sc1NC(=O)Cn1cc(nn1)[*:1])-c1ccccc1
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cn1cc(C2CC2)nn1 c1c(nnn1[*:1])C1CC1 N#Cc1cc(sc1NC(=O)C[*:1])-c1ccccc1
N#Cc1cc(-c2ccccc2)sc1NC(=O)Cn1cc(C2CC2)nn1 c1ccc(cc1)[*:1] N#Cc1cc(sc1NC(=O)Cn1cc(nn1)C1CC1)[*:1]
COc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1S(=O)(=O)NC(C)C CC(C)NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)N1CCC[C@H]1c1cccs1
COc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1S(=O)(=O)NC(C)C CC(C)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N1CCC[C@H]1c1cccs1
COc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1S(=O)(=O)NC(C)C c1csc(c1)[*:1] COc1ccc(cc1S(=O)(=O)NC(C)C)C(=O)N1CCC[C@@H]1[*:1]
COc1ccc(OC(F)F)c(N[C@@H](C)C[C@@H]2CCC[NH2+]2)c1 FC(F)[*:1] COc1ccc(O[*:1])c(c1)N[C@@H](C)C[C@@H]1CCC[NH2+]1
COc1ccc(OC(F)F)c(N[C@@H](C)C[C@@H]2CCC[NH2+]2)c1 FC(F)O[*:1] COc1ccc(c(c1)N[C@@H](C)C[C@@H]1CCC[NH2+]1)[*:1]
O=C(c1[nH]nc(C2CC2)c1Cl)N1CC[C@H](CSc2ccccc2)C1 c1ccc(cc1)SC[*:1] O=C(c1[nH]nc(c1Cl)C1CC1)N1CC[C@H](C1)[*:1]
O=C(c1[nH]nc(C2CC2)c1Cl)N1CC[C@H](CSc2ccccc2)C1 c1ccc(cc1)S[*:1] O=C(c1[nH]nc(c1Cl)C1CC1)N1CC[C@@H](C1)C[*:1]
O=C(c1[nH]nc(C2CC2)c1Cl)N1CC[C@H](CSc2ccccc2)C1 C1CC1[*:1] O=C(c1[nH]nc(c1Cl)[*:1])N1CC[C@H](CSc2ccccc2)C1
O=C(c1[nH]nc(C2CC2)c1Cl)N1CC[C@H](CSc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1[nH]nc(c1Cl)C1CC1)N1CC[C@H](CS[*:1])C1
CSCc1ccnc(NC[C@@H](O)c2ccco2)c1 c1coc(c1)[*:1] CSCc1ccnc(c1)NC[C@@H](O)[*:1]
CSCc1ccnc(NC[C@@H](O)c2ccco2)c1 CSC[*:1] O[C@H](CNc1cc(ccn1)[*:1])c1ccco1
C[C@@H](O)CCN(C)S(=O)(=O)Cc1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](O)CCN(C)S(=O)(=O)Cc1ccccc1[*:1]
C[C@@H](O)CCN(C)S(=O)(=O)Cc1ccccc1C(F)(F)F C[C@@H](O)C[*:1] CN(C[*:1])S(=O)(=O)Cc1ccccc1C(F)(F)F
C[C@@H](O)CCN(C)S(=O)(=O)Cc1ccccc1C(F)(F)F C[C@@H](O)[*:1] CN(CC[*:1])S(=O)(=O)Cc1ccccc1C(F)(F)F
Nc1nc(N2CCC[C@@H]2c2cccc(F)c2)cc(-n2cccn2)n1 Fc1cccc(c1)[*:1] Nc1nc(cc(n1)-n1cccn1)N1CCC[C@H]1[*:1]
Nc1nc(N2CCC[C@@H]2c2cccc(F)c2)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Nc1nc(cc(n1)[*:1])N1CCC[C@@H]1c1cccc(F)c1
O=C(Nc1nccs1)c1ccccc1-c1ccccc1 c1csc(n1)[*:1] O=C(N[*:1])c1ccccc1-c1ccccc1
O=C(Nc1nccs1)c1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nccs1)c1ccccc1[*:1]
Cc1cccc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)c1Cl Cc1cccc(c1Cl)[*:1] O=C(N[*:1])c1ccccc1SC[C@@H]1CCCO1
Cc1cccc(OCCN(C)C(=O)NCCC(=O)N(C)C)c1 CN(C)C(=O)CC[*:1] Cc1cccc(c1)OCCN(C)C(=O)N[*:1]
Cc1cccc(OCCN(C)C(=O)NCCC(=O)N(C)C)c1 Cc1cccc(c1)[*:1] CN(C)C(=O)CCNC(=O)N(C)CCO[*:1]
Cc1cccc(OCCN(C)C(=O)NCCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] Cc1cccc(c1)OCCN(C)C(=O)NC[*:1]
Cc1cccc(OCCN(C)C(=O)NCCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1cccc(c1)OCCN(C)C(=O)NCC[*:1]
Cn1nccc1C[NH2+]Cc1ccc(C(=O)[O-])cn1 O=C([O-])[*:1] Cn1nccc1C[NH2+]Cc1ccc(cn1)[*:1]
Cn1nccc1C[NH2+]Cc1ccc(C(=O)[O-])cn1 Cn1nccc1[*:1] O=C([O-])c1ccc(C[NH2+]C[*:1])nc1
CSc1ccccc1-c1onc(N)c1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CSc1ccccc1-c1onc(N)c1[*:1]
Cc1cc(C(=O)NCCc2cccnc2)sc1C#CCN NCC#C[*:1] Cc1cc(sc1[*:1])C(=O)NCCc1cccnc1
Cc1cc(C(=O)NCCc2cccnc2)sc1C#CCN c1cncc(c1)C[*:1] Cc1cc(sc1C#CCN)C(=O)NC[*:1]
Cc1cc(C(=O)NCCc2cccnc2)sc1C#CCN c1cncc(c1)[*:1] Cc1cc(sc1C#CCN)C(=O)NCC[*:1]
CC(C)c1ccc(SCc2nc(CS(C)(=O)=O)no2)cc1 CS(=O)(=O)[*:1] CC(C)c1ccc(cc1)SCc1nc(C[*:1])no1
CC(C)c1ccc(SCc2nc(CS(C)(=O)=O)no2)cc1 CS(=O)(=O)C[*:1] CC(C)c1ccc(cc1)SCc1nc(no1)[*:1]
CC(C)c1ccc(SCc2nc(CS(C)(=O)=O)no2)cc1 CC(C)[*:1] CS(=O)(=O)Cc1noc(CSc2ccc(cc2)[*:1])n1
O=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O Clc1ccc(cc1Cl)[*:1] O=C(Nc1cccc(c1)-c1cnco1)[C@H]1CCN(C1=O)[*:1]
O=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O c1ncc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCN(C1=O)c1ccc(Cl)c(Cl)c1
CC(C)=CC(=O)NCc1ccc(C(=O)N(C)C2CCOCC2)cc1 CC(C)=CC(=O)NC[*:1] CN(C(=O)c1ccc(cc1)[*:1])C1CCOCC1
CC(C)=CC(=O)NCc1ccc(C(=O)N(C)C2CCOCC2)cc1 CC(C)=C[*:1] CN(C(=O)c1ccc(cc1)CNC(=O)[*:1])C1CCOCC1
CC(C)=CC(=O)NCc1ccc(C(=O)N(C)C2CCOCC2)cc1 CC(C)=CC(=O)N[*:1] CN(C(=O)c1ccc(cc1)C[*:1])C1CCOCC1
CC(C)=CC(=O)NCc1ccc(C(=O)N(C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)N(C)[*:1]
Cc1cc(NC(=O)C[S@](=O)Cc2ccc(Cl)cc2)no1 Cc1cc(no1)[*:1] O=C(C[S@](=O)Cc1ccc(Cl)cc1)N[*:1]
CN1CCN(C(=O)CCn2ccccc2=O)C[C@]12CCNC(=O)CC2 O=c1ccccn1[*:1] CN1CCN(C[C@]12CCNC(=O)CC2)C(=O)CC[*:1]
CN1CCN(C(=O)CCn2ccccc2=O)C[C@]12CCNC(=O)CC2 O=c1ccccn1C[*:1] CN1CCN(C[C@]12CCNC(=O)CC2)C(=O)C[*:1]
O=C(CS(=O)(=O)c1ccccn1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CS(=O)(=O)c1ccccn1)N[*:1]
O=C(CS(=O)(=O)c1ccccn1)NC1CCCCC1 c1ccc(nc1)[*:1] O=C(CS(=O)(=O)[*:1])NC1CCCCC1
COC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] COC(=O)c1ccc(cc1)NC(=O)c1nc2ccccc2nc1[*:1]
COC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1nc2ccccc2nc1N1CCOCC1
CC(=O)N1CCC(N(CCN2CCOCC2)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 C1CN(CCO1)C[*:1] CC(=O)N1CCC(CC1)N(C[*:1])C(=O)[C@H]1CC(=O)N(C1)C(C)(C)C
CC(=O)N1CCC(N(CCN2CCOCC2)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 CC(C)(C)[*:1] CC(=O)N1CCC(CC1)N(CCN1CCOCC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(=O)N1CCC(N(CCN2CCOCC2)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 C1CN(CCO1)[*:1] CC(=O)N1CCC(CC1)N(CC[*:1])C(=O)[C@H]1CC(=O)N(C1)C(C)(C)C
CC(=O)N1CCC(N(CCN2CCOCC2)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 C1CN(CCO1)CC[*:1] CC(=O)N1CCC(CC1)N(C(=O)[C@H]1CC(=O)N(C1)C(C)(C)C)[*:1]
CC(=O)N1CCC(N(CCN2CCOCC2)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 CC(=O)N1CCC(CC1)[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)N(CCN1CCOCC1)[*:1]
COC[C@@H](NC(=O)c1cc2c(C)cc(F)cc2[nH]1)C(N)=O COC[C@@H](C(N)=O)[*:1] Cc1cc(F)cc2[nH]c(cc12)C(=O)N[*:1]
COC[C@@H](NC(=O)c1cc2c(C)cc(F)cc2[nH]1)C(N)=O COC[*:1] Cc1cc(F)cc2[nH]c(cc12)C(=O)N[C@@H](C(N)=O)[*:1]
COC[C@@H](NC(=O)c1cc2c(C)cc(F)cc2[nH]1)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)c1cc2c(C)cc(F)cc2[nH]1)[*:1]
CCc1cnc(CCNC(=O)C[C@H](C)C2CCCCC2)s1 CCc1cnc(s1)[*:1] C[C@@H](CC(=O)NCC[*:1])C1CCCCC1
CCc1cnc(CCNC(=O)C[C@H](C)C2CCCCC2)s1 C1CCC(CC1)[*:1] CCc1cnc(CCNC(=O)C[C@H](C)[*:1])s1
O=C(NC[C@@H]1COCCO1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NC[C@@H]1COCCO1)[C@H]1C[C@H]1c1ccccc1[*:1]
O=C(NC[C@@H]1COCCO1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F C1CO[C@@H](CO1)[*:1] O=C(NC[*:1])[C@H]1C[C@H]1c1ccccc1C(F)(F)F
O=C(NC[C@@H]1COCCO1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F C1CO[C@@H](CO1)C[*:1] O=C(N[*:1])[C@H]1C[C@H]1c1ccccc1C(F)(F)F
CC(C)[C@H](C#N)OC(=O)c1ccc(N2CCOCC2)c(F)c1 CC(C)[*:1] N#C[C@H](OC(=O)c1ccc(c(F)c1)N1CCOCC1)[*:1]
CC(C)[C@H](C#N)OC(=O)c1ccc(N2CCOCC2)c(F)c1 C1CN(CCO1)[*:1] CC(C)[C@H](C#N)OC(=O)c1ccc(c(F)c1)[*:1]
C[C@@H](O)CCC(=O)NCCC1CC1 C1CC1[*:1] C[C@@H](O)CCC(=O)NCC[*:1]
C[C@@H](O)CCC(=O)NCCC1CC1 C1CC1C[*:1] C[C@@H](O)CCC(=O)NC[*:1]
C[C@@H](O)CCC(=O)NCCC1CC1 C[C@@H](O)C[*:1] O=C(C[*:1])NCCC1CC1
C[C@@H](O)CCC(=O)NCCC1CC1 C[C@@H](O)[*:1] O=C(CC[*:1])NCCC1CC1
Cc1cc(C(=O)NN)n(C(F)F)n1 FC(F)[*:1] Cc1cc(C(=O)NN)n(n1)[*:1]
Cc1cc(C(=O)NN)n(C(F)F)n1 NNC(=O)[*:1] Cc1cc(n(n1)C(F)F)[*:1]
CCC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2OC)CCC1 CCC1(CCC1)C[*:1] COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[*:1])c(c1)OC
CCC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2OC)CCC1 CCC1(CCC1)[*:1] COc1ccc(C(=O)N2CCC[C@H]2C(=O)NC[*:1])c(c1)OC
C[NH+](C)CCCNC(=O)C1=CC=CC2=CC=N[C@H]21 C[NH+](C)CC[*:1] O=C(NC[*:1])C1=CC=CC2=CC=N[C@H]21
C[NH+](C)CCCNC(=O)C1=CC=CC2=CC=N[C@H]21 C[NH+](C)CCC[*:1] O=C(N[*:1])C1=CC=CC2=CC=N[C@H]21
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)N[*:1]
CC(C)c1nc(-c2ccc3ccccc3n2)n(-c2ccccn2)n1 c1ccc(nc1)[*:1] CC(C)c1nc(-c2ccc3ccccc3n2)n(n1)[*:1]
CC(C)c1nc(-c2ccc3ccccc3n2)n(-c2ccccn2)n1 CC(C)[*:1] c1ccc(nc1)-n1nc(nc1-c1ccc2ccccc2n1)[*:1]
Cc1cccc(S(=O)(=O)n2cc3c(=O)n(C(C)C)c(=O)n(C(C)C)c3n2)c1 CC(C)[*:1] Cc1cccc(c1)S(=O)(=O)n1cc2c(=O)n(c(=O)n(c2n1)C(C)C)[*:1]
Cc1cccc(S(=O)(=O)n2cc3c(=O)n(C(C)C)c(=O)n(C(C)C)c3n2)c1 CC(C)[*:1] Cc1cccc(c1)S(=O)(=O)n1cc2c(=O)n(c(=O)n(c2n1)[*:1])C(C)C
Cc1cccc(S(=O)(=O)n2cc3c(=O)n(C(C)C)c(=O)n(C(C)C)c3n2)c1 Cc1cccc(c1)[*:1] CC(C)n1c(=O)c2cn(nc2n(c1=O)C(C)C)S(=O)(=O)[*:1]
Cc1nnc(NC(=O)C[NH+](C)CC2CC[NH+](CCO)CC2)s1 Cc1nnc(s1)[*:1] C[NH+](CC(=O)N[*:1])CC1CC[NH+](CCO)CC1
Cc1nnc(NC(=O)C[NH+](C)CC2CC[NH+](CCO)CC2)s1 OCC[*:1] Cc1nnc(NC(=O)C[NH+](C)CC2CC[NH+](CC2)[*:1])s1
C[C@H](C(=O)N[C@H](C)C1CCCCC1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)N[C@H](C)C1CCCCC1)[*:1]
C[C@H](C(=O)N[C@H](C)C1CCCCC1)c1ccsc1 C1CCC(CC1)[*:1] C[C@H](C(=O)N[C@H](C)[*:1])c1ccsc1
CCc1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1O c1cc(ccn1)[*:1] CCc1cccc(C(=O)N2CCN(CC2)C[*:1])c1O
CCc1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1O c1cc(ccn1)C[*:1] CCc1cccc(C(=O)N2CCN(CC2)[*:1])c1O
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc2ccccc2[nH]1 c1ccc(C[*:1])nc1 C[C@@H]1CN(CC[C@@H]1[NH2+]CCc1cc2ccccc2[nH]1)[*:1]
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc2ccccc2[nH]1 c1ccc(nc1)[*:1] C[C@@H]1CN(CC[C@@H]1[NH2+]CCc1cc2ccccc2[nH]1)C[*:1]
CCSc1nnc(N)n1[C@H](CC)C(=O)Nc1cccc(Cl)c1 CCS[*:1] CC[C@H](C(=O)Nc1cccc(Cl)c1)n1c(N)nnc1[*:1]
CCSc1nnc(N)n1[C@H](CC)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCSc1nnc(N)n1[C@H](CC)C(=O)N[*:1]
COc1ccc([C@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)N2CCCCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N1C[C@@H]([C@H](C1)C(=O)N1CCCCC1)[*:1]
COc1ccc([C@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)N2CCCCC2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)[C@H]1CN(C[C@@H]1C(=O)N1CCCCC1)C(=O)[*:1]
COc1ccc([C@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] COc1ccc(cc1)[C@H]1CN(C[C@H]1[*:1])C(=O)c1ccccc1C
C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2F)c2ccccc21 Fc1ccccc1C[*:1] C[C@H]1CCN(C(=O)C(=O)N(C)[*:1])c2ccccc21
C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2F)c2ccccc21 Fc1ccccc1[*:1] C[C@H]1CCN(C(=O)C(=O)N(C)C[*:1])c2ccccc21
CCCC(=O)Nc1ccccc1C(=O)c1ccccc1 CCCC(=O)N[*:1] O=C(c1ccccc1)c1ccccc1[*:1]
CCCC(=O)Nc1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CCCC(=O)Nc1ccccc1C(=O)[*:1]
CCCC(=O)Nc1ccccc1C(=O)c1ccccc1 CCC[*:1] O=C(c1ccccc1)c1ccccc1NC(=O)[*:1]
CN(C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2Cl)CC1 CN(C)C(=O)[*:1] O=C(c1ccc(Br)cc1Cl)N1CCC(CC1)[*:1]
C=CCn1c(SCC(=O)Nc2c(C)nn(C)c2C)nc2sccc2c1=O Cc1nn(C)c(C)c1[*:1] C=CCn1c(nc2sccc2c1=O)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2c(C)nn(C)c2C)nc2sccc2c1=O C=CC[*:1] Cc1nn(C)c(C)c1NC(=O)CSc1nc2sccc2c(=O)n1[*:1]
CS(=O)(=O)N1CCN(C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 N#Cc1cccc(c1)[*:1] CS(=O)(=O)N1CCN(CC1)C1CC[NH+](CC1)C[*:1]
C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H]2CCc2ccccc2)c1 c1ccc(cc1)CC[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)N1CCC[C@@H]1[*:1]
C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H]2CCc2ccccc2)c1 c1ccc(cc1)C[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)N1CCC[C@H]1C[*:1]
C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H]2CCc2ccccc2)c1 c1ccc(cc1)[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)N1CCC[C@H]1CC[*:1]
COC(=O)c1cncc(C(=O)NC[C@H](O)C2CCCC2)c1 O[C@H](C1CCCC1)[*:1] COC(=O)c1cncc(c1)C(=O)NC[*:1]
COC(=O)c1cncc(C(=O)NC[C@H](O)C2CCCC2)c1 COC(=O)[*:1] O=C(NC[C@H](O)C1CCCC1)c1cncc(c1)[*:1]
COC(=O)c1cncc(C(=O)NC[C@H](O)C2CCCC2)c1 C1CCC(C1)[*:1] COC(=O)c1cncc(c1)C(=O)NC[C@H](O)[*:1]
CCN1CC[NH+](CCC(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)CC1 C1CCN(CC1)[*:1] CCN1CC[NH+](CCC(=O)Nc2ccc(cc2C(N)=O)[*:1])CC1
CCN1CC[NH+](CCC(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)CC1 NC(=O)[*:1] CCN1CC[NH+](CCC(=O)Nc2ccc(cc2[*:1])N2CCCCC2)CC1
Cc1csc(N2CCN(C(=O)c3cccc4[nH]ccc34)CC2)n1 Cc1csc(n1)[*:1] O=C(c1cccc2[nH]ccc12)N1CCN(CC1)[*:1]
NC(=O)N1CCC[C@@H](C(=O)NCc2ccnc(OCC(F)F)c2)C1 FC(F)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)NCc1ccnc(c1)OC[*:1]
NC(=O)N1CCC[C@@H](C(=O)NCc2ccnc(OCC(F)F)c2)C1 FC(F)C[*:1] NC(=O)N1CCC[C@H](C1)C(=O)NCc1ccnc(c1)O[*:1]
NC(=O)N1CCC[C@@H](C(=O)NCc2ccnc(OCC(F)F)c2)C1 FC(F)CO[*:1] NC(=O)N1CCC[C@H](C1)C(=O)NCc1ccnc(c1)[*:1]
CNc1ncnc(N[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ncnc(N[C@H]2CCCC[C@@H]2C)c1[*:1]
C[C@@H]1CC(CCS(=O)(=O)CCO)C[C@@H](C)C1 OCC[*:1] C[C@@H]1CC(CCS(=O)(=O)[*:1])C[C@@H](C)C1
CC(C)[NH2+][C@]1(C(N)=O)CC[C@H](Oc2cccc(CO)c2)C1 CC(C)[*:1] NC(=O)[C@]1(CC[C@@H](C1)Oc1cccc(c1)CO)[NH2+][*:1]
CC(C)[NH2+][C@]1(C(N)=O)CC[C@H](Oc2cccc(CO)c2)C1 NC(=O)[*:1] CC(C)[NH2+][C@@]1(CC[C@@H](C1)Oc1cccc(c1)CO)[*:1]
C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc(-n2cccn2)cc1 C[C@@H]1C[C@H]1[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-n1cccn1
C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc(cc1)[*:1]
COc1ccc2[nH]cc([C@@H](C)NC[C@](C)(O)c3ccc(F)cc3F)c2c1 Fc1ccc(c(F)c1)[*:1] COc1ccc2[nH]cc(c2c1)[C@@H](C)NC[C@](C)(O)[*:1]
COc1cc(OC)cc(C(=O)N2CCN(C3=Nc4ccccc4Oc4cc(OC)ccc43)C[C@@H]2C)c1 COc1cc(cc(c1)[*:1])OC COc1ccc2C(=Nc3ccccc3Oc2c1)N1CCN(C(=O)[*:1])[C@@H](C)C1
CC[C@@H](C)CN(CC)c1n[nH+]c(C)c(C)c1C(N)=S NC(=S)[*:1] CC[C@@H](C)CN(CC)c1n[nH+]c(C)c(C)c1[*:1]
CC[C@@H](C)CN(CC)c1n[nH+]c(C)c(C)c1C(N)=S CC[C@@H](C)[*:1] CCN(C[*:1])c1n[nH+]c(C)c(C)c1C(N)=S
CC[C@@H](C)CN(CC)c1n[nH+]c(C)c(C)c1C(N)=S CC[C@@H](C)C[*:1] CCN(c1n[nH+]c(C)c(C)c1C(N)=S)[*:1]
CSc1nc2n(n1)[C@@H](c1cccc(F)c1)C(C(=O)Nc1ccccc1)=C(C)N2 O=C(Nc1ccccc1)[*:1] CSc1nc2NC(C)=C([C@H](c3cccc(F)c3)n2n1)[*:1]
CSc1nc2n(n1)[C@@H](c1cccc(F)c1)C(C(=O)Nc1ccccc1)=C(C)N2 Fc1cccc(c1)[*:1] CSc1nc2NC(C)=C(C(=O)Nc3ccccc3)[C@H](n2n1)[*:1]
CSc1nc2n(n1)[C@@H](c1cccc(F)c1)C(C(=O)Nc1ccccc1)=C(C)N2 c1ccc(cc1)[*:1] CSc1nc2NC(C)=C(C(=O)N[*:1])[C@H](c3cccc(F)c3)n2n1
C=CCN(Cc1cccc(C#N)c1)C(=O)CS[C@H]1CCS(=O)(=O)C1 N#Cc1cccc(c1)[*:1] C=CCN(C[*:1])C(=O)CS[C@H]1CCS(=O)(=O)C1
C=CCN(Cc1cccc(C#N)c1)C(=O)CS[C@H]1CCS(=O)(=O)C1 C=CC[*:1] N#Cc1cccc(c1)CN(C(=O)CS[C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(NC(=O)N[C@@H](C)C(C)(C)c2ccccc2)c(OC)c1OC CC(C)(c1ccccc1)[*:1] COc1ccc(NC(=O)N[C@@H](C)[*:1])c(OC)c1OC
COc1ccc(NC(=O)N[C@@H](C)C(C)(C)c2ccccc2)c(OC)c1OC c1ccc(cc1)[*:1] COc1ccc(NC(=O)N[C@@H](C)C(C)(C)[*:1])c(OC)c1OC
CCN(CCC#N)CC(=O)N[C@H](C)C(=O)N1CCCCC1 CCN(CCC#N)[*:1] C[C@@H](NC(=O)C[*:1])C(=O)N1CCCCC1
CCN(CCC#N)CC(=O)N[C@H](C)C(=O)N1CCCCC1 N#CC[*:1] CCN(CC(=O)N[C@H](C)C(=O)N1CCCCC1)C[*:1]
CCN(CCC#N)CC(=O)N[C@H](C)C(=O)N1CCCCC1 N#CCC[*:1] CCN(CC(=O)N[C@H](C)C(=O)N1CCCCC1)[*:1]
CCCN(CCO)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 OCC[*:1] CCCN(C(=O)Nc1ccc(c(F)c1)[S@@](C)=O)[*:1]
CCCN(CCO)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 CCC[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)N(CCO)[*:1]
Cc1cc(C)c(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)c(/C=N/NC(=O)[*:1])c(C)c1
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]([NH3+])CCC(=O)[O-] c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)[C@@H]([NH3+])CCC(=O)[O-]
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]([NH3+])CCC(=O)[O-] O=C([O-])C[*:1] C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]([NH3+])C[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]([NH3+])CCC(=O)[O-] c1csc(c1)C[*:1] C[C@H](N(C)C(=O)[C@@H]([NH3+])CCC(=O)[O-])[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]([NH3+])CCC(=O)[O-] O=C([O-])[*:1] C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]([NH3+])CC[*:1]
O=[N+]([O-])c1ccc(-c2noc(COc3ccc(Cl)cc3)n2)cc1 O=[N+]([O-])[*:1] Clc1ccc(cc1)OCc1nc(no1)-c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(-c2noc(COc3ccc(Cl)cc3)n2)cc1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1noc(CO[*:1])n1
CC(=O)Nc1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1C c1ccc(cc1)[*:1] CC(=O)Nc1cccc(NC(=O)Cn2nnc(n2)[*:1])c1C
CC(=O)Nc1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)Cn1nnc(n1)-c1ccccc1
C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 C[C@@H](c1ccccc1)[*:1] CN(C(=O)c1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 O=S(=O)(NC1CC1)[*:1] C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(cc1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 O=C(CO[*:1])N1CCCC1 O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc(cc1)OCC(=O)N1CCCC1
O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 O=C(C[*:1])N1CCCC1 O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(C1)c1ccc(cc1)O[*:1]
O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 O=C(NC[C@@H]1CCCO1)[*:1] O=C(COc1ccc(cc1)N1C[C@H](CC1=O)[*:1])N1CCCC1
O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)c1ccc(cc1)OCC(=O)N1CCCC1
O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 O=C(N1CCCC1)[*:1] O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(C1)c1ccc(cc1)OC[*:1]
Cc1ccc(SCC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1 Cc1ccc(cc1)S[*:1] Cc1c(/C=N/NC(=O)C[*:1])c(Cl)nn1-c1ccccc1
Cc1ccc(SCC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(/C=N/NC(=O)CS[*:1])c(Cl)nn1-c1ccccc1
Cc1ccc(SCC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1 Cc1ccc(cc1)SC[*:1] Cc1c(/C=N/NC(=O)[*:1])c(Cl)nn1-c1ccccc1
Cc1ccc(SCC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)SCC(=O)N/N=C/c1c(Cl)nn(c1C)[*:1]
CCOC(CN1C(=O)C(=O)c2cccc(F)c21)OCC CCO[*:1] CCOC(CN1C(=O)C(=O)c2cccc(F)c21)[*:1]
O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 c1coc(c1)CN[*:1] O=C(c1ccc(Cl)cc1Cl)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccco1)[N+](=O)[O-])[*:1]
O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 c1coc(c1)[*:1] O=C(c1ccc(Cl)cc1Cl)N1CCN(CC1)c1ccc(c(c1)NC[*:1])[N+](=O)[O-]
O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 c1coc(c1)C[*:1] O=C(c1ccc(Cl)cc1Cl)N1CCN(CC1)c1ccc(c(c1)N[*:1])[N+](=O)[O-]
O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(Cl)cc1Cl)N1CCN(CC1)c1ccc(c(c1)NCc1ccco1)[*:1]
CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 c1csc(c1)[*:1] CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc(n1C[C@@H]1CCCO1)[*:1]
C[C@@H](CO)CSCCC[C@@](C)(N)C#N C[C@@H](CO)[*:1] C[C@](N)(C#N)CCCSC[*:1]
CC(C)[C@@H](CO)[NH2+][C@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 CC(C)[*:1] OC[C@@H]([NH2+][C@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[*:1]
CC(C)[C@@H](CO)[NH2+][C@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 CC(C)[C@@H](CO)[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@@H]1[NH2+][*:1]
CCOCc1ccc(NC(=O)N[C@H](C)C2CCOCC2)cc1 CCOC[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])C1CCOCC1
CCOCc1ccc(NC(=O)N[C@H](C)C2CCOCC2)cc1 CCO[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)C[*:1])C1CCOCC1
CCOCc1ccc(NC(=O)N[C@H](C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] CCOCc1ccc(cc1)NC(=O)N[C@H](C)[*:1]
COC(C)(C)CNC(=O)NC[C@H](C)c1cccs1 COC(C)(C)[*:1] C[C@@H](CNC(=O)NC[*:1])c1cccs1
COC(C)(C)CNC(=O)NC[C@H](C)c1cccs1 COC(C)(C)C[*:1] C[C@@H](CNC(=O)N[*:1])c1cccs1
COC(C)(C)CNC(=O)NC[C@H](C)c1cccs1 c1csc(c1)[*:1] COC(C)(C)CNC(=O)NC[C@H](C)[*:1]
O=C(Nc1cccc2c1CCCC2)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 O=S(=O)(N1CCSCC1)[*:1] O=C(Nc1cccc2CCCCc21)c1cc(c[nH]1)[*:1]
CNS(=O)(=O)c1cc(C(=O)Nc2ncc(C)s2)ccc1F Cc1cnc(s1)[*:1] CNS(=O)(=O)c1cc(ccc1F)C(=O)N[*:1]
CNS(=O)(=O)c1cc(C(=O)Nc2ncc(C)s2)ccc1F CNS(=O)(=O)[*:1] Cc1cnc(NC(=O)c2ccc(F)c(c2)[*:1])s1
CCCc1noc(CS(=O)(=O)CC(=O)Nc2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CCCc1noc(CS(=O)(=O)CC(=O)N[*:1])n1
CCCc1noc(CS(=O)(=O)CC(=O)Nc2cccc(Cl)c2)n1 CCC[*:1] O=C(CS(=O)(=O)Cc1nc(no1)[*:1])Nc1cccc(Cl)c1
O=C(Nc1ccc(C(=O)c2cccs2)cc1)c1ccc2c(c1)OCO2 c1csc(c1)[*:1] O=C(Nc1ccc(cc1)C(=O)[*:1])c1ccc2OCOc2c1
O=C(Nc1ccc(C(=O)c2cccs2)cc1)c1ccc2c(c1)OCO2 O=C(c1cccs1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2OCOc2c1
C[C@@H](C(=O)Nc1nc(-c2ccco2)cs1)[NH+]1CCCCCC1 c1coc(c1)[*:1] C[C@@H](C(=O)Nc1nc(cs1)[*:1])[NH+]1CCCCCC1
CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cccc(-n3cccn3)c2)C1 c1cnn(c1)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)NCc1cccc(c1)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N(CC(F)(F)F)C1CC[NH2+]CC1 FC(F)(F)[*:1] C[C@@H]1OCC[C@H]1C(=O)N(C[*:1])C1CC[NH2+]CC1
C[C@@H]1OCC[C@H]1C(=O)N(CC(F)(F)F)C1CC[NH2+]CC1 FC(F)(F)C[*:1] C[C@@H]1OCC[C@H]1C(=O)N(C1CC[NH2+]CC1)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N(CC(F)(F)F)C1CC[NH2+]CC1 C[C@@H]1OCC[C@@H]1[*:1] O=C(N(CC(F)(F)F)C1CC[NH2+]CC1)[*:1]
CC(C)CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 CC(C)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1cccc(F)c1
CC(C)CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 CC(C)C[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)C(=O)[*:1]
CC(C)CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)CC(=O)N1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1ccc(SC[C@H](O)CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CC(=O)Nc1ccc(cc1)SC[C@H](O)[*:1]
CC(=O)Nc1ccc(SC[C@H](O)CN2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(=O)Nc1ccc(cc1)SC[C@H](O)C[*:1]
CC(=O)Nc1ccc(SC[C@H](O)CN2CCOCC2)cc1 CC(=O)N[*:1] O[C@@H](CSc1ccc(cc1)[*:1])CN1CCOCC1
CCn1cc(C[NH+](CC)CC2CCN(C3CC[NH+](C)CC3)CC2)c(C)n1 CCn1cc(c(C)n1)[*:1] CC[NH+](CC1CCN(CC1)C1CC[NH+](C)CC1)C[*:1]
N#Cc1cccc(C(=O)NNC(=O)Cc2csc(-c3ccoc3)n2)c1 N#Cc1cccc(c1)[*:1] O=C(Cc1csc(n1)-c1ccoc1)NNC(=O)[*:1]
N#Cc1cccc(C(=O)NNC(=O)Cc2csc(-c3ccoc3)n2)c1 c1cc(co1)[*:1] N#Cc1cccc(c1)C(=O)NNC(=O)Cc1csc(n1)[*:1]
Cc1c2c(nc3cc4c(cc13)OCO4)CC[C@@](C#N)(c1ccccc1)C2 c1ccc(cc1)[*:1] Cc1c2C[C@](C#N)(CCc2nc2cc3OCOc3cc12)[*:1]
CCC[NH2+][C@@H](C)c1cc(F)c(C)cc1N1C[C@@H](C)[C@@H](C)C1 C[C@@H]1CN(C[C@@H]1C)[*:1] CCC[NH2+][C@@H](C)c1cc(F)c(C)cc1[*:1]
CCC[NH2+][C@@H](C)c1cc(F)c(C)cc1N1C[C@@H](C)[C@@H](C)C1 CCC[*:1] Cc1cc(c(cc1F)[C@H](C)[NH2+][*:1])N1C[C@@H](C)[C@@H](C)C1
Cc1noc(C)c1C(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 Cc1noc(C)c1[*:1] O=C(N1CCC[C@H](CCc2cccc(c2)C(F)(F)F)C1)[*:1]
Cc1noc(C)c1C(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] Cc1noc(C)c1C(=O)N1CCC[C@H](CCc2cccc(c2)[*:1])C1
CCCc1cc(=O)oc2cc(OCC(=O)Nc3cccc(OC)c3)ccc12 CCC[*:1] COc1cccc(c1)NC(=O)COc1ccc2c(cc(=O)oc2c1)[*:1]
CCCc1cc(=O)oc2cc(OCC(=O)Nc3cccc(OC)c3)ccc12 COc1cccc(c1)[*:1] CCCc1cc(=O)oc2cc(ccc12)OCC(=O)N[*:1]
Cc1ccc(Cl)c(-c2nccn2CCCn2ccnc2)c1F c1cn(cn1)CC[*:1] Cc1ccc(Cl)c(c1F)-c1nccn1C[*:1]
Cc1ccc(Cl)c(-c2nccn2CCCn2ccnc2)c1F c1cn(cn1)[*:1] Cc1ccc(Cl)c(c1F)-c1nccn1CCC[*:1]
Cc1ccc(Cl)c(-c2nccn2CCCn2ccnc2)c1F c1cn(cn1)C[*:1] Cc1ccc(Cl)c(c1F)-c1nccn1CC[*:1]
Cc1ccccc1-c1c([O-])[nH]c([C@@H]2CC[C@H](C)C2)nc1=O Cc1ccccc1[*:1] C[C@H]1CC[C@H](C1)c1nc(=O)c(c([O-])[nH]1)[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)c1 O=C1CCC[C@H]1[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@H]1[*:1]
Cc1cc(C)nc(N[C@@H]2N=NC(COc3cccc4cccnc34)=N2)n1 Cc1cc(C)nc(n1)[*:1] c1cnc2c(cccc2c1)OCC1N=N[C@H](N=1)N[*:1]
CCC[NH2+][C@H](C)c1cccc(N2CC(CC)C2)c1 CCC[*:1] CCC1CN(C1)c1cccc(c1)[C@@H](C)[NH2+][*:1]
CCC[NH2+][C@H](C)c1cccc(N2CC(CC)C2)c1 CCC1CN(C1)[*:1] CCC[NH2+][C@H](C)c1cccc(c1)[*:1]
CCCCC(=O)Nc1ccc(CCCC)cc1 CCC[*:1] CCCCC(=O)Nc1ccc(cc1)C[*:1]
CCCCC(=O)Nc1ccc(CCCC)cc1 CCC[*:1] CCCCc1ccc(cc1)NC(=O)C[*:1]
CCCCC(=O)Nc1ccc(CCCC)cc1 CCCC[*:1] CCCCc1ccc(cc1)NC(=O)[*:1]
CCCCC(=O)Nc1ccc(CCCC)cc1 CCCC[*:1] CCCCC(=O)Nc1ccc(cc1)[*:1]
O=C(NC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2ccoc2)c1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])NNC(=O)c1cccc(c1)-c1ccoc1
O=C(NC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] O=C(NC[C@@H]1CCCO1)NNC(=O)c1cccc(c1)[*:1]
O=C(NC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2ccoc2)c1 C1CO[C@@H](C1)C[*:1] O=C(NNC(=O)c1cccc(c1)-c1ccoc1)N[*:1]
CCCCN(C(=O)Nc1cccnn1)[C@@H]1CCS(=O)(=O)C1 c1cnnc(c1)[*:1] CCCCN(C(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)Nc1cccnn1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCCN(C(=O)Nc1cccnn1)[*:1]
CCCCN(C(=O)Nc1cccnn1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(Nc1cccnn1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)Nc1cccnn1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(Nc1cccnn1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)c1ccc(CN(C)C(=O)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)[C@H]1CCS(=O)(=O)C1
O=C(Cn1c(=O)sc2ccccc21)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cn1c(=O)sc2ccccc21)N[*:1]
COc1ccc(OCc2nnc(S[C@@H](C)C#N)n2-c2ccccc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](C#N)Sc1nnc(CO[*:1])n1-c1ccccc1
COc1ccc(OCc2nnc(S[C@@H](C)C#N)n2-c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)OCc1nnc(S[C@@H](C)C#N)n1[*:1]
CSc1nc(C2CC2)nc(C)c1C(=O)N1CCc2cc(F)ccc2C1 C1CC1[*:1] CSc1nc(nc(C)c1C(=O)N1CCc2cc(F)ccc2C1)[*:1]
CC(C)(Br)[C@H](Br)C(=O)[O-] O=C([O-])[*:1] CC(C)(Br)[C@H](Br)[*:1]
COc1ccc2nc(C)cc(C(=O)NC(C)(C)c3ncc(C)s3)c2c1 Cc1cnc(s1)[*:1] COc1ccc2nc(C)cc(C(=O)NC(C)(C)[*:1])c2c1
CC(C)(C)c1ccc(C(=O)Nc2ccccc2N2CCNC(=O)C2)cc1 O=C1CN(CCN1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1[*:1]
CC(C)(C)c1ccc(C(=O)Nc2ccccc2N2CCNC(=O)C2)cc1 CC(C)(C)[*:1] O=C1CN(CCN1)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
O=C(C[NH+](CCC(F)(F)F)C1CCCC1)Nc1ccccc1 FC(F)(F)[*:1] O=C(C[NH+](CC[*:1])C1CCCC1)Nc1ccccc1
O=C(C[NH+](CCC(F)(F)F)C1CCCC1)Nc1ccccc1 C1CCC(C1)[*:1] O=C(C[NH+](CCC(F)(F)F)[*:1])Nc1ccccc1
O=C(C[NH+](CCC(F)(F)F)C1CCCC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+](CCC(F)(F)F)C1CCCC1)N[*:1]
O=C(C[NH+](CCC(F)(F)F)C1CCCC1)Nc1ccccc1 FC(F)(F)C[*:1] O=C(C[NH+](C[*:1])C1CCCC1)Nc1ccccc1
COc1ccc(C2=NN3[C@H](NN[C@@H]3[C@@H]3C=C(c4ccccc4)N=N3)S2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1=NN2[C@H](NN[C@@H]2[C@@H]2C=C(N=N2)[*:1])S1
COc1ccc(C2=NN3[C@H](NN[C@@H]3[C@@H]3C=C(c4ccccc4)N=N3)S2)cc1 COc1ccc(cc1)[*:1] C1=C(N=N[C@@H]1[C@H]1NN[C@@H]2SC(=NN21)[*:1])c1ccccc1
Cc1c(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cccc1OCC(F)(F)F FC(F)(F)C[*:1] Cc1c(cccc1O[*:1])NC(=O)N1CC[C@H](C)[C@@H](O)C1
Cc1c(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cccc1OCC(F)(F)F FC(F)(F)CO[*:1] Cc1c(cccc1[*:1])NC(=O)N1CC[C@H](C)[C@@H](O)C1
Cc1c(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cccc1OCC(F)(F)F FC(F)(F)[*:1] Cc1c(cccc1OC[*:1])NC(=O)N1CC[C@H](C)[C@@H](O)C1
COc1ccc(N2C[C@H](NC(=O)Nc3ccccc3Cl)CC2=O)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)NC(=O)N[*:1]
COc1ccc(N2C[C@H](NC(=O)Nc3ccccc3Cl)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1Cl)N[C@@H]1CC(=O)N(C1)[*:1]
CC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)Nc1ccc(c(Cl)c1)N1CCCC1=O)[*:1]
CC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Nc1ccc(c(Cl)c1)N1CCCC1=O)[*:1]
CC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(C)cc1 O=C1CCCN1[*:1] CC(=O)N[C@H](CC(=O)Nc1ccc(c(Cl)c1)[*:1])c1ccc(C)cc1
C[C@H](c1cccnc1)N1CC[NH+](Cc2cccc(-c3cnn(C)c3)c2)CC1 C[C@H](c1cccnc1)[*:1] Cn1cc(cn1)-c1cccc(c1)C[NH+]1CCN(CC1)[*:1]
C[C@H](c1cccnc1)N1CC[NH+](Cc2cccc(-c3cnn(C)c3)c2)CC1 c1cncc(c1)[*:1] C[C@H](N1CC[NH+](CC1)Cc1cccc(c1)-c1cnn(C)c1)[*:1]
C[C@H](c1cccnc1)N1CC[NH+](Cc2cccc(-c3cnn(C)c3)c2)CC1 Cn1cc(cn1)[*:1] C[C@H](c1cccnc1)N1CC[NH+](CC1)Cc1cccc(c1)[*:1]
COC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C COC(=O)[*:1] Cc1nc(NC(=O)OC(C)(C)C)sc1[*:1]
COC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C CC(C)(C)[*:1] COC(=O)c1sc(nc1C)NC(=O)O[*:1]
C[C@H](CC(=O)N[C@H]1CCN(CC(F)(F)F)C1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)N[C@H]1CCN(C1)CC(F)(F)F)C[*:1]
C[C@H](CC(=O)N[C@H]1CCN(CC(F)(F)F)C1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@H](CC(=O)N[C@H]1CCN(C1)CC(F)(F)F)[*:1]
C[C@H](CC(=O)N[C@H]1CCN(CC(F)(F)F)C1)Cc1ccc(Cl)cc1 FC(F)(F)[*:1] C[C@H](CC(=O)N[C@H]1CCN(C1)C[*:1])Cc1ccc(Cl)cc1
C[C@H](CC(=O)N[C@H]1CCN(CC(F)(F)F)C1)Cc1ccc(Cl)cc1 FC(F)(F)C[*:1] C[C@H](CC(=O)N[C@H]1CCN(C1)[*:1])Cc1ccc(Cl)cc1
CCN(CC[NH2+]Cc1c(C)nn(C)c1C)c1ccccc1C Cc1ccccc1[*:1] CCN(CC[NH2+]Cc1c(C)nn(C)c1C)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)[*:1]
O=C([O-])COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 O=C([O-])[*:1] O=C(N/N=C/c1ccc(cc1)OC[*:1])C(=O)Nc1ccc(F)cc1
O=C([O-])COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] O=C([O-])COc1ccc(/C=N/NC(=O)C(=O)N[*:1])cc1
O=C([O-])COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 O=C([O-])C[*:1] O=C(N/N=C/c1ccc(cc1)O[*:1])C(=O)Nc1ccc(F)cc1
O=C([O-])COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 O=C([O-])CO[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])C(=O)Nc1ccc(F)cc1
NC(=O)CC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 NC(=O)[*:1] O=C(C[NH+]1CCC(CC1)C[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
NC(=O)CC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 NC(=O)C[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
NC(=O)CC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] NC(=O)CC1CC[NH+](CC1)CC(=O)Nc1ccc(Cl)c(c1)[*:1]
C[C@@H]1c2ccsc2CCN1c1cccc(F)c1/C(N)=N/O N/C(=N\O)[*:1] C[C@@H]1c2ccsc2CCN1c1cccc(F)c1[*:1]
CCN(Cc1cccc(NC(=O)COC)c1)C(C)=O COCC(=O)N[*:1] CCN(Cc1cccc(c1)[*:1])C(C)=O
CCN(Cc1cccc(NC(=O)COC)c1)C(C)=O COC[*:1] CCN(Cc1cccc(c1)NC(=O)[*:1])C(C)=O
CCN(Cc1cccc(NC(=O)COC)c1)C(C)=O CCN(C(C)=O)[*:1] COCC(=O)Nc1cccc(c1)C[*:1]
C[C@@H](NC(=O)NCCc1cc(F)cc(F)c1)[C@H](O)c1ccc(Cl)cc1 Fc1cc(F)cc(c1)[*:1] C[C@@H](NC(=O)NCC[*:1])[C@H](O)c1ccc(Cl)cc1
C[C@@H](NC(=O)NCCc1cc(F)cc(F)c1)[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCCc1cc(F)cc(F)c1)[C@H](O)[*:1]
CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F c1ccc(cc1)O[*:1] CNC(=O)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F c1ccc(cc1)[*:1] CNC(=O)C(=O)Nc1ccc(cc1C(F)(F)F)O[*:1]
CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F CNC(=O)C(=O)N[*:1] FC(F)(F)c1cc(ccc1[*:1])Oc1ccccc1
CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F FC(F)(F)[*:1] CNC(=O)C(=O)Nc1ccc(cc1[*:1])Oc1ccccc1
[NH3+][C@H]1CCC[C@@H](Oc2ccc(Cc3ccccc3)cc2)C1 c1ccc(cc1)C[*:1] [NH3+][C@H]1CCC[C@H](C1)Oc1ccc(cc1)[*:1]
[NH3+][C@H]1CCC[C@@H](Oc2ccc(Cc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] [NH3+][C@H]1CCC[C@H](C1)Oc1ccc(cc1)C[*:1]
CC[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1sccc1C Cc1ccsc1[*:1] CC[C@@H]1C[NH2+][C@H](CN1C[*:1])c1ccccc1
CC[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1sccc1C c1ccc(cc1)[*:1] CC[C@@H]1C[NH2+][C@@H](CN1Cc1sccc1C)[*:1]
CC[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1sccc1C Cc1ccsc1C[*:1] CC[C@@H]1C[NH2+][C@H](CN1[*:1])c1ccccc1
CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CN(Cc1ccc(cc1)OC(F)F)S(=O)(=O)[*:1]
CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(Cl)s1 FC(F)[*:1] CN(Cc1ccc(cc1)O[*:1])S(=O)(=O)c1ccc(Cl)s1
CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(Cl)s1 FC(F)O[*:1] CN(Cc1ccc(cc1)[*:1])S(=O)(=O)c1ccc(Cl)s1
COc1cccc(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])C(=O)Nc1ccccc1
COc1cccc(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)c1 COc1cccc(c1)C[*:1] Cc1ccc(cc1NC(=O)N[*:1])C(=O)Nc1ccccc1
COc1cccc(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)Nc1cc(ccc1C)C(=O)N[*:1]
COc1cccc(CNC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)c1 O=C(Nc1ccccc1)[*:1] COc1cccc(c1)CNC(=O)Nc1cc(ccc1C)[*:1]
COc1ccc2nc(C(=O)Nc3ccc(C)c(C(=O)N(C)C)c3)ccc2c1 CN(C)C(=O)[*:1] COc1ccc2nc(ccc2c1)C(=O)Nc1ccc(C)c(c1)[*:1]
COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1OCc1ccccc1F Fc1ccccc1CO[*:1] COc1cc(ccc1[*:1])[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2ncnn21
COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1OCc1ccccc1F Fc1ccccc1C[*:1] COc1cc(ccc1O[*:1])[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2ncnn21
COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1OCc1ccccc1F Fc1ccccc1[*:1] COc1cc(ccc1OC[*:1])[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2ncnn21
Cc1nc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)sc1C(=O)N(C)C O=C(N[*:1])c1ccco1 Cc1nc(NC(=O)Cc2csc(n2)[*:1])sc1C(=O)N(C)C
Cc1nc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)sc1C(=O)N(C)C c1coc(c1)[*:1] Cc1nc(NC(=O)Cc2csc(n2)NC(=O)[*:1])sc1C(=O)N(C)C
Cc1nc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)sc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1nc(NC(=O)Cc2csc(n2)NC(=O)c2ccco2)sc1[*:1]
CCSc1nnc(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)s1 CCS[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CSc1nnc(s1)[*:1]
CCSc1nnc(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)s1 CCSc1nnc(s1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CS[*:1]
CC(C)N1CCN(C(=O)C(=O)Nc2cccc(COCC3CC3)c2)CC1 C1CC1COC[*:1] CC(C)N1CCN(CC1)C(=O)C(=O)Nc1cccc(c1)[*:1]
CC(C)N1CCN(C(=O)C(=O)Nc2cccc(COCC3CC3)c2)CC1 CC(C)[*:1] O=C(Nc1cccc(c1)COCC1CC1)C(=O)N1CCN(CC1)[*:1]
CC(C)N1CCN(C(=O)C(=O)Nc2cccc(COCC3CC3)c2)CC1 C1CC1[*:1] CC(C)N1CCN(CC1)C(=O)C(=O)Nc1cccc(c1)COC[*:1]
CC(C)N1CCN(C(=O)C(=O)Nc2cccc(COCC3CC3)c2)CC1 C1CC1CO[*:1] CC(C)N1CCN(CC1)C(=O)C(=O)Nc1cccc(c1)C[*:1]
CC(C)N1CCN(C(=O)C(=O)Nc2cccc(COCC3CC3)c2)CC1 C1CC1C[*:1] CC(C)N1CCN(CC1)C(=O)C(=O)Nc1cccc(c1)CO[*:1]
Cc1ccc([C@@H](C)NC(=O)c2cnn(-c3ccncc3)c2C)s1 Cc1ccc(s1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N[C@H](C)[*:1]
Cc1ccc([C@@H](C)NC(=O)c2cnn(-c3ccncc3)c2C)s1 c1cc(ccn1)[*:1] Cc1ccc(s1)[C@@H](C)NC(=O)c1cnn(c1C)[*:1]
O=C1C(=O)N(C[C@H]2CC2(Cl)Cl)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1C(=O)N(C(=O)N1C[C@H]1CC1(Cl)Cl)[*:1]
O=C1C(=O)N(C[C@H]2CC2(Cl)Cl)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C(=O)N(C[*:1])C(=O)N1C[C@H]1CC1(Cl)Cl
CCNC(=O)CCCC(=O)NC[C@H]1C[C@]12CCc1ccccc12 CCNC(=O)CC[*:1] O=C(C[*:1])NC[C@H]1C[C@]12CCc1ccccc12
CCNC(=O)CCCC(=O)NC[C@H]1C[C@]12CCc1ccccc12 CCNC(=O)[*:1] O=C(CCC[*:1])NC[C@H]1C[C@]12CCc1ccccc12
CCNC(=O)CCCC(=O)NC[C@H]1C[C@]12CCc1ccccc12 CCNC(=O)C[*:1] O=C(CC[*:1])NC[C@H]1C[C@]12CCc1ccccc12
O=C([O-])[C@@H]1CCCN(C(=O)CCCc2ccc(Br)s2)C1 Brc1ccc(s1)[*:1] O=C([O-])[C@@H]1CCCN(C1)C(=O)CCC[*:1]
O=C([O-])[C@@H]1CCCN(C(=O)CCCc2ccc(Br)s2)C1 O=C([O-])[*:1] O=C(CCCc1ccc(Br)s1)N1CCC[C@H](C1)[*:1]
Cn1cc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)nn1 Cn1cc(nn1)[*:1] O=C(N1CCC(CC1)c1nnc(o1)-c1ccc(F)cc1)[*:1]
Cn1cc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)nn1 Fc1ccc(cc1)[*:1] Cn1cc(nn1)C(=O)N1CCC(CC1)c1nnc(o1)[*:1]
Cc1nc([C@H](C)Nc2ccc(NC(=O)C3CC3)cc2)cs1 Cc1nc(cs1)[*:1] C[C@H](Nc1ccc(cc1)NC(=O)C1CC1)[*:1]
Cc1nc([C@H](C)Nc2ccc(NC(=O)C3CC3)cc2)cs1 O=C(N[*:1])C1CC1 Cc1nc(cs1)[C@H](C)Nc1ccc(cc1)[*:1]
Cc1nc([C@H](C)Nc2ccc(NC(=O)C3CC3)cc2)cs1 C1CC1[*:1] Cc1nc(cs1)[C@H](C)Nc1ccc(cc1)NC(=O)[*:1]
c1ncc(CN2CCC(OC3CCCC3)CC2)s1 C1CCC(C1)O[*:1] c1ncc(CN2CCC(CC2)[*:1])s1
c1ncc(CN2CCC(OC3CCCC3)CC2)s1 c1ncc(s1)[*:1] C1CCC(C1)OC1CCN(CC1)C[*:1]
c1ncc(CN2CCC(OC3CCCC3)CC2)s1 C1CCC(C1)[*:1] c1ncc(CN2CCC(CC2)O[*:1])s1
c1ncc(CN2CCC(OC3CCCC3)CC2)s1 c1ncc(C[*:1])s1 C1CCC(C1)OC1CCN(CC1)[*:1]
CCCNc1cc[nH+]c(COc2cccc(Cl)c2)c1 CCCN[*:1] Clc1cccc(c1)OCc1cc(cc[nH+]1)[*:1]
CCCNc1cc[nH+]c(COc2cccc(Cl)c2)c1 CCC[*:1] Clc1cccc(c1)OCc1cc(cc[nH+]1)N[*:1]
CCS(=O)(=O)CCn1ncc(C[NH2+]C)c1C(F)F CCS(=O)(=O)[*:1] C[NH2+]Cc1cnn(CC[*:1])c1C(F)F
CCS(=O)(=O)CCn1ncc(C[NH2+]C)c1C(F)F CCS(=O)(=O)C[*:1] C[NH2+]Cc1cnn(C[*:1])c1C(F)F
CCS(=O)(=O)CCn1ncc(C[NH2+]C)c1C(F)F FC(F)[*:1] CCS(=O)(=O)CCn1ncc(C[NH2+]C)c1[*:1]
CN1C(=O)[C@H]2[C@H](OC(=O)C[C@H]2[C@@H]2C=NN=C2c2cccc(O)c2)c2ccccc21 Oc1cccc(c1)[*:1] CN1C(=O)[C@H]2[C@H](OC(=O)C[C@H]2[C@@H]2C=NN=C2[*:1])c2ccccc21
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@H](O)c1ccccc1 O=C([O-])[*:1] C[C@@H]1[C@H](CCN1C(=O)[C@H](O)c1ccccc1)[*:1]
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1[C@@H](CCN1C(=O)[C@H](O)[*:1])C(=O)[O-]
CCCS(=O)(=O)/N=C(\[O-])Cc1ccc(F)cc1F CCC[*:1] O=S(=O)(/N=C(\[O-])Cc1ccc(F)cc1F)[*:1]
C#CCOc1cc(F)ccc1NCc1ccc(C(=O)OC)o1 C#CC[*:1] COC(=O)c1ccc(CNc2ccc(F)cc2O[*:1])o1
C#CCOc1cc(F)ccc1NCc1ccc(C(=O)OC)o1 C#CCO[*:1] COC(=O)c1ccc(CNc2ccc(F)cc2[*:1])o1
C#CCOc1cc(F)ccc1NCc1ccc(C(=O)OC)o1 COC(=O)[*:1] C#CCOc1cc(F)ccc1NCc1ccc(o1)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(OC)c1 COC(=O)[*:1] COc1cc(ccc1Cl)C(=O)N(Cc1ccccc1)[C@@H](C)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(OC)c1 c1ccc(cc1)C[*:1] COC(=O)[C@H](C)N(C(=O)c1ccc(Cl)c(c1)OC)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(OC)c1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)N(C[*:1])C(=O)c1ccc(Cl)c(c1)OC
CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 CNC(=O)[*:1] O=C(Nc1sc(nc1-c1ccccc1)SC[*:1])c1cccs1
CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 c1csc(c1)[*:1] CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)[*:1])s1
CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 c1ccc(cc1)[*:1] CNC(=O)CSc1nc(c(NC(=O)c2cccs2)s1)[*:1]
CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 CNC(=O)CS[*:1] O=C(Nc1sc(nc1-c1ccccc1)[*:1])c1cccs1
CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 O=C(N[*:1])c1cccs1 CNC(=O)CSc1nc(-c2ccccc2)c(s1)[*:1]
CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 CNC(=O)C[*:1] O=C(Nc1sc(nc1-c1ccccc1)S[*:1])c1cccs1
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C CCCn1c(C)cc(c1C)[*:1] N#CC(=C[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C CCC[*:1] Cc1cc(/C=C(\C#N)C(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2F)c(C)n1[*:1]
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C Fc1ccccc1[*:1] CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c1C
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2n1C COC[*:1] Cn1c(cc2ccccc21)C(=O)N(Cc1ccc(C#N)cc1)C[*:1]
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2n1C COCC[*:1] Cn1c(cc2ccccc21)C(=O)N(Cc1ccc(C#N)cc1)[*:1]
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2n1C N#Cc1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)c1cc2ccccc2n1C
O=C(NC[C@@H](O)COc1ccc(F)cc1)c1cc(F)ccc1O Fc1ccc(cc1)[*:1] O=C(NC[C@@H](O)CO[*:1])c1cc(F)ccc1O
CN(CCCNC(=O)N1CCC(C(N)=O)CC1)c1ccccc1F NC(=O)[*:1] CN(CCCNC(=O)N1CCC(CC1)[*:1])c1ccccc1F
CN(CCCNC(=O)N1CCC(C(N)=O)CC1)c1ccccc1F Fc1ccccc1[*:1] CN(CCCNC(=O)N1CCC(CC1)C(N)=O)[*:1]
Cc1ccc(-c2n[nH]c(SCc3cc(=O)oc4cc(C)ccc34)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2c(cc(=O)oc2c1)CSc1nc(n[nH]1)[*:1]
C[C@@]1(CN2C[C@H](C(=O)[O-])CCC2=O)CCCO1 O=C([O-])[*:1] C[C@]1(CCCO1)CN1C[C@H](CCC1=O)[*:1]
CN(C)C(=O)Nc1cccc(C(=O)N2CCSC3(CCCCC3)C2)c1 CN(C)C(=O)N[*:1] O=C(c1cccc(c1)[*:1])N1CCSC2(CCCCC2)C1
CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 CCNS(=O)(=O)[*:1] C[C@H]1CCC[C@@H](NC(=O)c2ccc(cc2)[*:1])[C@H]1C
Cc1ccc(NC(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 c1cc2OCCCOc2cc1[*:1] Cc1ccc(cc1)NC(=O)NCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(NC(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 Cc1ccc(cc1)NC(=O)N[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1
Cc1ccc(NC(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1)N[*:1]
c1ccc(-n2cc(CNc3ncnc4c3oc3ccccc34)nn2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)oc1c(ncnc12)NCc1cn(nn1)[*:1]
O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(SC(F)F)cc1 FC(F)[*:1] O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(cc1)S[*:1]
O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(SC(F)F)cc1 FC(F)S[*:1] O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(cc1)[*:1]
COc1ccc(C(=O)Nc2nc(CC(=O)N(C)Cc3ccccc3)cs2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1nc(cs1)CC(=O)N(C)C[*:1]
COc1ccc(C(=O)Nc2nc(CC(=O)N(C)Cc3ccccc3)cs2)cc1 COc1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)Cc1csc(n1)NC(=O)[*:1]
COc1ccc(C(=O)Nc2nc(CC(=O)N(C)Cc3ccccc3)cs2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)Nc1nc(cs1)CC(=O)N(C)[*:1]
CCN(Cc1ccccc1Cl)C(=O)Nc1nnc(C2CC2)s1 Clc1ccccc1[*:1] CCN(C[*:1])C(=O)Nc1nnc(s1)C1CC1
CCN(Cc1ccccc1Cl)C(=O)Nc1nnc(C2CC2)s1 C1CC1[*:1] CCN(Cc1ccccc1Cl)C(=O)Nc1nnc(s1)[*:1]
CCC1(CC)CCN(C(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)C1 O=C([O-])[*:1] CCC1(CC)CCN(C1)C(=O)N[C@H]1C=C[C@H](C1)[*:1]
Cc1ccc2nc(COC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3C)C4=O)cc(=O)n2c1 Cc1ccccc1[*:1] Cc1ccc2nc(cc(=O)n2c1)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C(N/C(=C\c1cccc(F)c1)C(=O)N1CCOCC1)c1ccccc1Br Fc1cccc(c1)[*:1] O=C(NC(=C[*:1])C(=O)N1CCOCC1)c1ccccc1Br
O=C(N/C(=C\c1cccc(F)c1)C(=O)N1CCOCC1)c1ccccc1Br Brc1ccccc1[*:1] O=C(/C(=C/c1cccc(F)c1)NC(=O)[*:1])N1CCOCC1
O=C(N/C(=C\c1cccc(F)c1)C(=O)N1CCOCC1)c1ccccc1Br O=C(N1CCOCC1)[*:1] O=C(N/C(=C\c1cccc(F)c1)[*:1])c1ccccc1Br
C=CCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)nc2sc(CC)cc2c1=O C=CC[*:1] CCc1cc2c(=O)n(c(nc2s1)SCC(=O)NC(=O)Nc1ccc2OCOc2c1)[*:1]
C=CCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)nc2sc(CC)cc2c1=O c1cc2OCOc2cc1[*:1] C=CCn1c(nc2sc(cc2c1=O)CC)SCC(=O)NC(=O)N[*:1]
CCc1ccsc1C(=O)N(CCOC)Cc1cccnc1 c1cncc(c1)C[*:1] CCc1ccsc1C(=O)N(CCOC)[*:1]
CCc1ccsc1C(=O)N(CCOC)Cc1cccnc1 COC[*:1] CCc1ccsc1C(=O)N(Cc1cccnc1)C[*:1]
CCc1ccsc1C(=O)N(CCOC)Cc1cccnc1 c1cncc(c1)[*:1] CCc1ccsc1C(=O)N(CCOC)C[*:1]
CCc1ccsc1C(=O)N(CCOC)Cc1cccnc1 COCC[*:1] CCc1ccsc1C(=O)N(Cc1cccnc1)[*:1]
CCc1ccsc1C(=O)N(CCOC)Cc1cccnc1 CCc1ccsc1[*:1] COCCN(Cc1cccnc1)C(=O)[*:1]
COc1ccc(-c2cc3nc(CCNC(=O)c4ccccc4F)nn3cn2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-c1cc2nc(CCNC(=O)[*:1])nn2cn1
COc1ccc(-c2cc3nc(CCNC(=O)c4ccccc4F)nn3cn2)cc1 COc1ccc(cc1)[*:1] O=C(NCCc1nc2cc(ncn2n1)[*:1])c1ccccc1F
COc1ccc2c(c1)C=C(C[NH+]1CCC(O)(c3cnc(OC)nc3OC)CC1)CO2 COc1ncc(c(n1)OC)[*:1] COc1ccc2OCC(=Cc2c1)C[NH+]1CCC(O)(CC1)[*:1]
O=C(c1cccc(OC(F)F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 FC(F)O[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H](C1)c1nc2ccccc2s1
O=C(c1cccc(OC(F)F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 FC(F)[*:1] O=C(c1cccc(c1)O[*:1])N1CCC[C@H](C1)c1nc2ccccc2s1
O=C(c1cccc(OC(F)F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] O=C(c1cccc(c1)OC(F)F)N1CCC[C@@H](C1)[*:1]
CC(C)(C)CNC(=O)NCC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)CNC(=O)NCC(=O)NC[*:1]
CC(C)(C)CNC(=O)NCC(=O)NCc1ccccc1 CC(C)(C)[*:1] O=C(CNC(=O)NC[*:1])NCc1ccccc1
CC(C)(C)CNC(=O)NCC(=O)NCc1ccccc1 CC(C)(C)C[*:1] O=C(CNC(=O)N[*:1])NCc1ccccc1
O=C(NCc1ccc([N+]2=CCCC2)cc1)c1cn(-c2ccc(F)cc2)nn1 Fc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)c1cn(nn1)[*:1]
COC(=O)[C@]1(F)CCN(c2cc[nH+]c3ccc(Cl)cc23)C1 COC(=O)[*:1] F[C@@]1(CCN(C1)c1cc[nH+]c2ccc(Cl)cc12)[*:1]
COc1cccc(CN2CC(=O)N3C[C@@H](c4ccccc4OC)c4c([nH]c5ccccc45)[C@]3(C)C2=O)c1 COc1ccccc1[*:1] COc1cccc(c1)CN1CC(=O)N2C[C@@H](c3c([nH]c4ccccc34)[C@]2(C)C1=O)[*:1]
COc1cccc(CN2CC(=O)N3C[C@@H](c4ccccc4OC)c4c([nH]c5ccccc45)[C@]3(C)C2=O)c1 COc1cccc(c1)C[*:1] COc1ccccc1[C@@H]1CN2C(=O)CN(C(=O)[C@@]2(C)c2[nH]c3ccccc3c21)[*:1]
COc1cccc(CN2CC(=O)N3C[C@@H](c4ccccc4OC)c4c([nH]c5ccccc45)[C@]3(C)C2=O)c1 COc1cccc(c1)[*:1] COc1ccccc1[C@@H]1CN2C(=O)CN(C[*:1])C(=O)[C@@]2(C)c2[nH]c3ccccc3c21
O=C(CBr)c1c(F)ccc([N+](=O)[O-])c1F O=C(CBr)[*:1] O=[N+]([O-])c1ccc(F)c(c1F)[*:1]
O=C(CBr)c1c(F)ccc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] O=C(CBr)c1c(F)ccc(c1F)[*:1]
CC[C@H](C)[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@@H](Nc1nc(nc2ccccc12)C(F)(F)F)[*:1]
CC[C@H](C)[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)C(=O)[O-] CC[C@H](C)[*:1] O=C([O-])[C@H](Nc1nc(nc2ccccc12)C(F)(F)F)[*:1]
CC[C@H](C)[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)C(=O)[O-] FC(F)(F)[*:1] CC[C@H](C)[C@@H](Nc1nc(nc2ccccc12)[*:1])C(=O)[O-]
CCn1cc(-c2c(-c3ccccc3)ncn2CCSc2nnnn2C)cn1 Cn1nnnc1S[*:1] CCn1cc(cn1)-c1c(ncn1CC[*:1])-c1ccccc1
CCn1cc(-c2c(-c3ccccc3)ncn2CCSc2nnnn2C)cn1 Cn1nnnc1SCC[*:1] CCn1cc(cn1)-c1c(ncn1[*:1])-c1ccccc1
CCn1cc(-c2c(-c3ccccc3)ncn2CCSc2nnnn2C)cn1 CCn1cc(cn1)[*:1] Cn1nnnc1SCCn1cnc(-c2ccccc2)c1[*:1]
CCn1cc(-c2c(-c3ccccc3)ncn2CCSc2nnnn2C)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)-c1c(ncn1CCSc1nnnn1C)[*:1]
CCn1cc(-c2c(-c3ccccc3)ncn2CCSc2nnnn2C)cn1 Cn1nnnc1[*:1] CCn1cc(cn1)-c1c(ncn1CCS[*:1])-c1ccccc1
CCn1cc(-c2c(-c3ccccc3)ncn2CCSc2nnnn2C)cn1 Cn1nnnc1SC[*:1] CCn1cc(cn1)-c1c(ncn1C[*:1])-c1ccccc1
CN(C)S(=O)(=O)c1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 CN(C)S(=O)(=O)[*:1] [NH3+][C@@H]1CCC[C@H](C1)Nc1ccc(cc1)[*:1]
Cc1ccc(O[C@H](C)C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1nc2-c3cnn(C)c3CCc2s1
Cc1ccc(O[C@H](C)C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)c(C)c1 Cc1ccc(O[*:1])c(C)c1 C[C@H](C(=O)Nc1nc2-c3cnn(C)c3CCc2s1)[*:1]
Cc1cccc2c1=[NH+][C@@H](CCn1c[nH+]c(-c3ccccc3)c1[C@H]1CCOC1)[NH+]=2 C1C[C@@H](CO1)[*:1] Cc1cccc2=[NH+][C@H](CCn3c[nH+]c(-c4ccccc4)c3[*:1])[NH+]=c12
Cc1cccc2c1=[NH+][C@@H](CCn1c[nH+]c(-c3ccccc3)c1[C@H]1CCOC1)[NH+]=2 c1ccc(cc1)[*:1] Cc1cccc2=[NH+][C@H](CCn3c[nH+]c(c3[C@H]3CCOC3)[*:1])[NH+]=c12
CCCCCCO[C@H]1CCC[C@]([NH3+])(C(N)=O)C1 NC(=O)[*:1] CCCCCCO[C@H]1CCC[C@]([NH3+])(C1)[*:1]
CCCCCCO[C@H]1CCC[C@]([NH3+])(C(N)=O)C1 CCCCC[*:1] NC(=O)[C@@]1([NH3+])CCC[C@@H](C1)OC[*:1]
CCCCCCO[C@H]1CCC[C@]([NH3+])(C(N)=O)C1 CCCC[*:1] NC(=O)[C@@]1([NH3+])CCC[C@@H](C1)OCC[*:1]
CCCCCCO[C@H]1CCC[C@]([NH3+])(C(N)=O)C1 CCC[*:1] NC(=O)[C@@]1([NH3+])CCC[C@@H](C1)OCCC[*:1]
Cc1ccc(CCC(=O)NC[C@H](C2CC2)[NH+](C)C)c(C)c1 C1CC1[*:1] Cc1ccc(CCC(=O)NC[C@H]([NH+](C)C)[*:1])c(C)c1
Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)n3n2)cc1 Cc1ccc(cc1)S[*:1] O=C(Cn1nc2ccc(nn2c1=O)[*:1])Nc1ccc2OCOc2c1
Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)n3n2)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1nc2ccc(nn2c1=O)S[*:1])Nc1ccc2OCOc2c1
Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)n3n2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)Sc1ccc2nn(CC(=O)N[*:1])c(=O)n2n1
CCN1CCO[C@H]([C@@H](CCC(F)(F)F)[NH2+]C)C1 FC(F)(F)C[*:1] CCN1CCO[C@@H](C1)[C@@H](C[*:1])[NH2+]C
CCN1CCO[C@H]([C@@H](CCC(F)(F)F)[NH2+]C)C1 FC(F)(F)[*:1] CCN1CCO[C@@H](C1)[C@@H](CC[*:1])[NH2+]C
CN(C)C(=O)CCNC(=O)N1CCc2cc(F)ccc2C1 CN(C)C(=O)C[*:1] O=C(NC[*:1])N1CCc2cc(F)ccc2C1
CN(C)C(=O)CCNC(=O)N1CCc2cc(F)ccc2C1 CN(C)C(=O)CC[*:1] O=C(N[*:1])N1CCc2cc(F)ccc2C1
CN(C)C(=O)CCNC(=O)N1CCc2cc(F)ccc2C1 CN(C)C(=O)[*:1] O=C(NCC[*:1])N1CCc2cc(F)ccc2C1
O=C(NC1CCCCCCC1)c1ccc2c(=O)n(-c3ccccc3)c(=S)[nH]c2c1 C1CCCC(CCC1)[*:1] O=C(N[*:1])c1ccc2c(=O)n(-c3ccccc3)c(=S)[nH]c2c1
O=C(NC1CCCCCCC1)c1ccc2c(=O)n(-c3ccccc3)c(=S)[nH]c2c1 c1ccc(cc1)[*:1] O=C(NC1CCCCCCC1)c1ccc2c(=O)n(c(=S)[nH]c2c1)[*:1]
C[C@@H](Cc1cccs1)N(C)Cc1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] C[C@@H](Cc1cccs1)N(C)Cc1cnc(s1)[*:1]
C[C@@H](Cc1cccs1)N(C)Cc1cnc(-c2ccccn2)s1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)Cc1cnc(s1)-c1ccccn1
C[C@@H](Cc1cccs1)N(C)Cc1cnc(-c2ccccn2)s1 c1csc(c1)C[*:1] C[C@@H](N(C)Cc1cnc(s1)-c1ccccn1)[*:1]
C/C(=C/C[N+](C)(C)C)C[N+](C)(C)C C[N+](C)(C)[*:1] C/C(=C/C[N+](C)(C)C)C[*:1]
C/C(=C/C[N+](C)(C)C)C[N+](C)(C)C C[N+](C)(C)[*:1] C/C(=C/C[*:1])C[N+](C)(C)C
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)Cc1cn(C)c3ccccc13)CC2 CC(C)[*:1] Cn1cc(CC(=O)N2CCc3nc(NC(=O)N[*:1])sc3C2)c2ccccc21
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)Cc1cn(C)c3ccccc13)CC2 CC(C)NC(=O)N[*:1] Cn1cc(CC(=O)N2CCc3nc(sc3C2)[*:1])c2ccccc21
CC(C)N1CC[NH+](CCC(C)(C)C)CC1 CC(C)(C)C[*:1] CC(C)N1CC[NH+](CC1)C[*:1]
CC(C)N1CC[NH+](CCC(C)(C)C)CC1 CC(C)[*:1] CC(C)(C)CC[NH+]1CCN(CC1)[*:1]
CC(C)N1CC[NH+](CCC(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)N1CC[NH+](CC1)CC[*:1]
CC(C)[C@H]1c2ccccc2C(=O)[C@@H]1C CC(C)[*:1] C[C@H]1C(=O)c2ccccc2[C@@H]1[*:1]
C[C@@H]1C[C@H]1NC(=O)c1cc(F)c(F)cc1Cl C[C@@H]1C[C@@H]1[*:1] O=C(N[*:1])c1cc(F)c(F)cc1Cl
CCN(CC)C(=O)CCC(=O)N1CCCN(C(N)=O)CC1 CCN(CC)C(=O)[*:1] NC(=O)N1CCCN(CC1)C(=O)CC[*:1]
C[C@H]1C[C@H]1C(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1C(=O)NCc1nccn1C[*:1]
C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(Br)cc1 c1ccc(cc1)[*:1] C[C@H](Sc1nncn1[*:1])C(=O)Nc1ccc(Br)cc1
C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](Sc1nncn1-c1ccccc1)C(=O)N[*:1]
O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O O=[N+]([O-])c1cccc(c1)O[*:1] O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(cc2C1=O)[*:1]
O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O O=[N+]([O-])c1cccc(c1)[*:1] O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(cc2C1=O)O[*:1]
O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O O=[N+]([O-])[*:1] O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(cc2C1=O)Oc1cccc(c1)[*:1]
[NH3+]Cc1nnc(SCc2nccs2)n1C1CC1 C1CC1[*:1] [NH3+]Cc1nnc(SCc2nccs2)n1[*:1]
[NH3+]Cc1nnc(SCc2nccs2)n1C1CC1 c1csc(n1)[*:1] [NH3+]Cc1nnc(SC[*:1])n1C1CC1
O=C(Oc1c(Cl)cc(Cl)cc1Cl)C1CCN(C(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] O=C(Oc1c(Cl)cc(Cl)cc1Cl)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3nc(C)cs3)CC2)c(Cl)c1 Cc1csc(n1)[*:1] Cc1ccc(NC(=O)[C@@H](C)N2CCN(CC2)[*:1])c(Cl)c1
Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3nc(C)cs3)CC2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] Cc1csc(n1)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
Cc1ccccc1OCC(=O)N1N=C(C(C)C)C[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] Cc1ccccc1OCC(=O)N1N=C(C[C@]1(O)[*:1])C(C)C
Cc1ccccc1OCC(=O)N1N=C(C(C)C)C[C@@]1(O)C(F)(F)F Cc1ccccc1O[*:1] CC(C)C1C[C@](O)(N(N=1)C(=O)C[*:1])C(F)(F)F
Cc1ccccc1OCC(=O)N1N=C(C(C)C)C[C@@]1(O)C(F)(F)F CC(C)[*:1] Cc1ccccc1OCC(=O)N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
Cc1ccccc1OCC(=O)N1N=C(C(C)C)C[C@@]1(O)C(F)(F)F Cc1ccccc1[*:1] CC(C)C1C[C@](O)(N(N=1)C(=O)CO[*:1])C(F)(F)F
CCCN1C(=O)CCc2cc(NC(=O)c3cccc4cc[nH]c34)ccc21 CCC[*:1] O=C(Nc1ccc2c(c1)CCC(=O)N2[*:1])c1cccc2cc[nH]c12
CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S/C1=N\c1ccccc1F Fc1ccccc1[*:1] CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(=O)N2CCOCC2)SC1=N[*:1]
CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S/C1=N\c1ccccc1F O=C(N1CCOCC1)[*:1] CN1C(=O)[C@@H](CC(=O)Nc2ccccc2[*:1])S/C1=N\c1ccccc1F
CC[C@@H](NC(=O)COc1cc(Cl)cc(Cl)c1)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@@H](NC(=O)COc1cc(Cl)cc(Cl)c1)[*:1]
Cc1cc([C@@H](C)[NH2+][C@H](C)CCCO)c(C)o1 OCCC[*:1] Cc1cc(c(C)o1)[C@@H](C)[NH2+][C@H](C)[*:1]
Cc1cc([C@@H](C)[NH2+][C@H](C)CCCO)c(C)o1 OCC[*:1] Cc1cc(c(C)o1)[C@@H](C)[NH2+][C@H](C)C[*:1]
Cc1cc(NC(=O)C(=O)N[C@H](c2nccs2)C2CC2)ccc1F C1CC1[*:1] Cc1cc(ccc1F)NC(=O)C(=O)N[C@H](c1nccs1)[*:1]
Cc1cc(NC(=O)C(=O)N[C@H](c2nccs2)C2CC2)ccc1F c1csc(n1)[*:1] Cc1cc(ccc1F)NC(=O)C(=O)N[C@H](C1CC1)[*:1]
COC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)c1ccc(Cl)s1 COC(=O)[*:1] C[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1[*:1])c1ccc(Cl)s1
COC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] COC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)[*:1]
Fc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)cc1 Fc1ccc(cc1)[*:1] FC(F)Oc1ccc(cc1Br)C[NH2+]C[*:1]
Fc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)cc1 FC(F)O[*:1] Fc1ccc(cc1)C[NH2+]Cc1ccc(c(Br)c1)[*:1]
Fc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)cc1 FC(F)[*:1] Fc1ccc(cc1)C[NH2+]Cc1ccc(O[*:1])c(Br)c1
Cc1cc(C)cc(N2CCN(C(=O)CCn3nnnc3CN3CCOCC3)CC2=O)c1 C1CN(CCO1)[*:1] Cc1cc(C)cc(c1)N1CCN(CC1=O)C(=O)CCn1nnnc1C[*:1]
Cc1cc(C)cc(N2CCN(C(=O)CCn3nnnc3CN3CCOCC3)CC2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(CCn1nnnc1CN1CCOCC1)N1CCN(C(=O)C1)[*:1]
Cc1cc(C)cc(N2CCN(C(=O)CCn3nnnc3CN3CCOCC3)CC2=O)c1 C1CN(CCO1)C[*:1] Cc1cc(C)cc(c1)N1CCN(CC1=O)C(=O)CCn1nnnc1[*:1]
CCOC(=O)CCc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)cc1 CCOC(=O)CC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)CCc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)cc1 CCOC(=O)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccc(cc1)CC[*:1]
CCOC(=O)CCc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)cc1 CCOC(=O)C[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccc(cc1)C[*:1]
O=C(Cc1noc(CCn2ccccc2=O)n1)NC1CCCCC1 O=c1ccccn1C[*:1] O=C(Cc1noc(C[*:1])n1)NC1CCCCC1
O=C(Cc1noc(CCn2ccccc2=O)n1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1noc(CCn2ccccc2=O)n1)N[*:1]
O=C(Cc1noc(CCn2ccccc2=O)n1)NC1CCCCC1 O=c1ccccn1[*:1] O=C(Cc1noc(CC[*:1])n1)NC1CCCCC1
C[C@H](C(=O)NOCC(N)=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@H](C(=O)NOCC(N)=O)c1ccccc1[*:1]
C[C@H](C(=O)NOCC(N)=O)c1ccccc1C(F)(F)F NC(=O)[*:1] C[C@H](C(=O)NOC[*:1])c1ccccc1C(F)(F)F
C[C@H](C(=O)NOCC(N)=O)c1ccccc1C(F)(F)F NC(=O)C[*:1] C[C@H](C(=O)NO[*:1])c1ccccc1C(F)(F)F
CCOCCCNC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C CCOCCC[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[*:1]
CCOCCCNC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C CCO[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCC[*:1]
CCOCCCNC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C CCOC[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCC[*:1]
CCOCCCNC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C CCOCC[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NC[*:1]
Clc1snnc1C[NH+](Cc1ccccc1)C1CC1 Clc1snnc1[*:1] c1ccc(cc1)C[NH+](C[*:1])C1CC1
Clc1snnc1C[NH+](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] Clc1snnc1C[NH+](C[*:1])C1CC1
Clc1snnc1C[NH+](Cc1ccccc1)C1CC1 C1CC1[*:1] Clc1snnc1C[NH+](Cc1ccccc1)[*:1]
Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)no1 Cc1cc(no1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N[*:1]
Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)no1 CC(C)(C)[*:1] Cc1cc(no1)NC(=O)c1ccc(cc1)[*:1]
COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1[*:1]
CCCS(=O)(=O)NC1CCN(C(=O)Nc2nc(C)cs2)CC1 Cc1csc(n1)[*:1] CCCS(=O)(=O)NC1CCN(CC1)C(=O)N[*:1]
CCCS(=O)(=O)NC1CCN(C(=O)Nc2nc(C)cs2)CC1 CCC[*:1] Cc1csc(n1)NC(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
CCCS(=O)(=O)NC1CCN(C(=O)Nc2nc(C)cs2)CC1 CCCS(=O)(=O)N[*:1] Cc1csc(n1)NC(=O)N1CCC(CC1)[*:1]
CC(=O)N1CCc2cc(NC(=O)c3c(C)noc3C(C)C)ccc21 CC(C)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)c1c(C)noc1[*:1]
Cc1nc(C)n(C[C@H](C)C(=O)Nc2ncc(Cc3ccccc3F)s2)n1 Fc1ccccc1C[*:1] Cc1nc(C)n(C[C@H](C)C(=O)Nc2ncc(s2)[*:1])n1
Cc1nc(C)n(C[C@H](C)C(=O)Nc2ncc(Cc3ccccc3F)s2)n1 Fc1ccccc1[*:1] Cc1nc(C)n(C[C@H](C)C(=O)Nc2ncc(C[*:1])s2)n1
Cc1nc(C)n(C[C@H](C)C(=O)Nc2ncc(Cc3ccccc3F)s2)n1 Cc1nc(C)n(n1)[*:1] C[C@@H](C[*:1])C(=O)Nc1ncc(Cc2ccccc2F)s1
Cc1nc(C)n(C[C@H](C)C(=O)Nc2ncc(Cc3ccccc3F)s2)n1 Cc1nc(C)n(C[*:1])n1 C[C@H](C(=O)Nc1ncc(Cc2ccccc2F)s1)[*:1]
Cn1cnnc1CSCCOc1ccccc1C(F)(F)F FC(F)(F)[*:1] Cn1cnnc1CSCCOc1ccccc1[*:1]
Cn1cnnc1CSCCOc1ccccc1C(F)(F)F Cn1cnnc1[*:1] FC(F)(F)c1ccccc1OCCSC[*:1]
Cn1cnnc1CSCCOc1ccccc1C(F)(F)F Cn1cnnc1C[*:1] FC(F)(F)c1ccccc1OCCS[*:1]
COCc1nc2ccccc2n1CCOc1cccc(C)c1C COC[*:1] Cc1cccc(OCCn2c(nc3ccccc32)[*:1])c1C
CN(Cc1ccc(O)cc1)C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 Oc1ccc(cc1)C[*:1] CN(C(=O)N[C@H](c1cc(F)ccc1F)C1CC1)[*:1]
CN(Cc1ccc(O)cc1)C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 Oc1ccc(cc1)[*:1] CN(C[*:1])C(=O)N[C@H](c1cc(F)ccc1F)C1CC1
CN(Cc1ccc(O)cc1)C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 Fc1ccc(F)c(c1)[*:1] CN(Cc1ccc(O)cc1)C(=O)N[C@H](C1CC1)[*:1]
CN(Cc1ccc(O)cc1)C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 C1CC1[*:1] CN(Cc1ccc(O)cc1)C(=O)N[C@H](c1cc(F)ccc1F)[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1C c1csc(c1)[*:1] Cc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)[*:1])c1C
Cc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])[C@@H]1CCCCN1C(=O)c1cccs1
COc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c(C(N)=O)cc1OC NC(=O)[*:1] COc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c(cc1OC)[*:1]
O=C(COc1ccc(C[NH+]2CCCn3cncc3C2)cc1)N1CCCCC1 O=C(C[*:1])N1CCCCC1 c1cc(ccc1C[NH+]1CCCn2cncc2C1)O[*:1]
O=C(COc1ccc(C[NH+]2CCCn3cncc3C2)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1cc(ccc1C[NH+]1CCCn2cncc2C1)OC[*:1]
Cc1ccc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)c(c1)[*:1]
CC(C)CC(C)(C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F CC(C)CC(C)(C)[*:1] O=C(CNC(=O)[*:1])Nc1ccc(F)c(F)c1F
CC(C)CC(C)(C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F CC(C)[*:1] CC(C)(C[*:1])C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
CC(C)CC(C)(C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F CC(C)C[*:1] CC(C)(C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[*:1]
C[C@@H](CNC(=O)CS(=O)(=O)C1CCCC1)C[NH+]1CCCC1 C1CCC(C1)[*:1] C[C@@H](CNC(=O)CS(=O)(=O)[*:1])C[NH+]1CCCC1
O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@H]1c1nnc2ccccn12 Clc1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCC[C@H]1c1nnc2ccccn12
COc1cccc(CS[C@H](C)C(=O)Nc2ccccc2F)c1 Fc1ccccc1[*:1] COc1cccc(c1)CS[C@H](C)C(=O)N[*:1]
CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccccc21 C[C@H]1CCCC[C@H]1[*:1] CCn1c(nc2ccccc21)S[C@H](C)C(=O)N[*:1]
Cc1ccccc1NCc1nc(CCC(C)C)no1 CC(C)CC[*:1] Cc1ccccc1NCc1nc(no1)[*:1]
Cc1ccccc1NCc1nc(CCC(C)C)no1 CC(C)C[*:1] Cc1ccccc1NCc1nc(C[*:1])no1
Cc1ccccc1NCc1nc(CCC(C)C)no1 CC(C)[*:1] Cc1ccccc1NCc1nc(CC[*:1])no1
CCOc1ccc(C2=CCN(C(=O)Nc3cc(CCOC)nn3C)CC2)cc1 CCOc1ccc(cc1)[*:1] COCCc1cc(NC(=O)N2CC=C(CC2)[*:1])n(C)n1
CCOc1ccc(C2=CCN(C(=O)Nc3cc(CCOC)nn3C)CC2)cc1 COCC[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)Nc1cc(nn1C)[*:1]
CCOc1ccc(C2=CCN(C(=O)Nc3cc(CCOC)nn3C)CC2)cc1 COC[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)Nc1cc(C[*:1])nn1C
CCOc1ccc(C2=CCN(C(=O)Nc3cc(CCOC)nn3C)CC2)cc1 CCO[*:1] COCCc1cc(NC(=O)N2CC=C(CC2)c2ccc(cc2)[*:1])n(C)n1
C[C@H](CCNC(=O)OCCO)c1ccccc1 OCC[*:1] C[C@H](CCNC(=O)O[*:1])c1ccccc1
Nc1cc(Cl)ccc1NC(=O)CSC[C@H](O)CO OC[C@@H](O)CS[*:1] Nc1cc(Cl)ccc1NC(=O)C[*:1]
Nc1cc(Cl)ccc1NC(=O)CSC[C@H](O)CO OC[C@@H](O)C[*:1] Nc1cc(Cl)ccc1NC(=O)CS[*:1]
Nc1cc(Cl)ccc1NC(=O)CSC[C@H](O)CO OC[C@@H](O)[*:1] Nc1cc(Cl)ccc1NC(=O)CSC[*:1]
COC(=O)c1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)ccn1 COC(=O)[*:1] N#Cc1ccccc1N1CCN(CC1)C(=O)c1ccnc(c1)[*:1]
COC(=O)c1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)ccn1 N#Cc1ccccc1[*:1] COC(=O)c1cc(ccn1)C(=O)N1CCN(CC1)[*:1]
CNC(=O)c1cc(NC(=O)Cc2csc(-c3cnccn3)n2)ccc1Cl c1cnc(cn1)[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)Cc1csc(n1)[*:1]
CNC(=O)c1cc(NC(=O)Cc2csc(-c3cnccn3)n2)ccc1Cl CNC(=O)[*:1] O=C(Cc1csc(n1)-c1cnccn1)Nc1ccc(Cl)c(c1)[*:1]
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccn2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N/N=C/c1ccccn1)c1ccccc1NC(=O)[*:1]
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccn2)cc1OC c1ccc(nc1)[*:1] COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)NN=C[*:1]
CO[C@@H]1CCC[C@H](OC(=O)c2cc(-c3ccco3)nc3onc(C)c23)C1 c1coc(c1)[*:1] CO[C@@H]1CCC[C@@H](C1)OC(=O)c1cc(nc2onc(C)c12)[*:1]
CC(C)(C)c1ccc2cc(C(=O)NCc3cccnc3)[nH]c2c1 CC(C)(C)[*:1] O=C(NCc1cccnc1)c1cc2ccc(cc2[nH]1)[*:1]
CC(C)(C)c1ccc2cc(C(=O)NCc3cccnc3)[nH]c2c1 c1cncc(c1)[*:1] CC(C)(C)c1ccc2cc([nH]c2c1)C(=O)NC[*:1]
CC(C)(C)c1ccc2cc(C(=O)NCc3cccnc3)[nH]c2c1 c1cncc(c1)C[*:1] CC(C)(C)c1ccc2cc([nH]c2c1)C(=O)N[*:1]
CCc1ccc([C@H](C)NCC(=O)Nc2cc(C)on2)cc1 Cc1cc(no1)[*:1] CCc1ccc(cc1)[C@H](C)NCC(=O)N[*:1]
COC[C@H](Nc1nccc(OC)n1)c1ccc(F)c(F)c1 COC[*:1] COc1ccnc(n1)N[C@H](c1ccc(F)c(F)c1)[*:1]
O=C([O-])C1=C[C@H](S(=O)(=O)[N-]c2ccccc2F)C=N1 O=C([O-])[*:1] O=S(=O)([N-]c1ccccc1F)[C@@H]1C=NC(=C1)[*:1]
C=CCn1c(=O)c2c(nc3n2CC(C)=NN3C(C)C)n(C)c1=O C=CC[*:1] CC1Cn2c(nc3c2c(=O)n(c(=O)n3C)[*:1])N(N=1)C(C)C
C=CCn1c(=O)c2c(nc3n2CC(C)=NN3C(C)C)n(C)c1=O CC(C)[*:1] C=CCn1c(=O)c2c(nc3N(N=C(C)Cn32)[*:1])n(C)c1=O
CC(C)NC(=O)CC[NH2+]Cc1cn(C)nc1C(C)(C)C CC(C)NC(=O)[*:1] Cn1cc(C[NH2+]CC[*:1])c(n1)C(C)(C)C
CC(C)NC(=O)CC[NH2+]Cc1cn(C)nc1C(C)(C)C CC(C)[*:1] Cn1cc(C[NH2+]CCC(=O)N[*:1])c(n1)C(C)(C)C
CC(C)NC(=O)CC[NH2+]Cc1cn(C)nc1C(C)(C)C CC(C)(C)[*:1] CC(C)NC(=O)CC[NH2+]Cc1cn(C)nc1[*:1]
O=C(CC1CCCCC1)NCCNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 C1CCC(CC1)[*:1] O=C(C[*:1])NCCNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
O=C(CC1CCCCC1)NCCNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 C1CCC(CC1)C[*:1] O=C(NCCNC(=O)[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
COc1cccnc1NC(=O)Cc1cccs1 c1csc(c1)[*:1] COc1cccnc1NC(=O)C[*:1]
Cc1ccc(-n2nnc(-c3nnc4sc(-c5cccc(F)c5)nn34)c2C)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)-n1nnc(c1C)-c1nnc2sc(nn12)[*:1]
Cc1ccc(-n2nnc(-c3nnc4sc(-c5cccc(F)c5)nn34)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])-c1nnc2sc(nn12)-c1cccc(F)c1
C[C@H](CNC(=O)c1cccc(-c2ccoc2)c1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)c1cccc(c1)-c1ccoc1)[*:1]
C[C@H](CNC(=O)c1cccc(-c2ccoc2)c1)N1CCOCC1 c1cc(co1)[*:1] C[C@H](CNC(=O)c1cccc(c1)[*:1])N1CCOCC1
CC(=O)Nc1cccc(NC(=S)NNC(=O)CC2CCCCCC2)c1 C1CCCC(CC1)C[*:1] CC(=O)Nc1cccc(c1)NC(=S)NNC(=O)[*:1]
CC(=O)Nc1cccc(NC(=S)NNC(=O)CC2CCCCCC2)c1 C1CCCC(CC1)[*:1] CC(=O)Nc1cccc(c1)NC(=S)NNC(=O)C[*:1]
CC(=O)Nc1cccc(NC(=S)NNC(=O)CC2CCCCCC2)c1 CC(=O)N[*:1] O=C(CC1CCCCCC1)NNC(=S)Nc1cccc(c1)[*:1]
CC[NH+](C)CCn1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])C[*:1] CC[NH+](C)CCn1c(nc2cnccc21)S[*:1]
CC[NH+](C)CCn1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])[*:1] CC[NH+](C)CCn1c(nc2cnccc21)SC[*:1]
CC[NH+](C)CCn1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])CS[*:1] CC[NH+](C)CCn1c(nc2cnccc21)[*:1]
CC(C)CC[C@H](C)NC(=O)c1cc(C(C)C)n(C)n1 CC(C)[*:1] CC(C)CC[C@H](C)NC(=O)c1cc(n(C)n1)[*:1]
CC(C)CC[C@H](C)NC(=O)c1cc(C(C)C)n(C)n1 CC(C)[*:1] CC(C)c1cc(nn1C)C(=O)N[C@@H](C)CC[*:1]
CC(C)CC[C@H](C)NC(=O)c1cc(C(C)C)n(C)n1 CC(C)C[*:1] CC(C)c1cc(nn1C)C(=O)N[C@@H](C)C[*:1]
CC(C)CC[C@H](C)NC(=O)c1cc(C(C)C)n(C)n1 CC(C)CC[*:1] CC(C)c1cc(nn1C)C(=O)N[C@@H](C)[*:1]
Cn1ncnc1CNC(=O)N1CC[C@@H]2CCCC[C@H]21 Cn1ncnc1[*:1] O=C(NC[*:1])N1CC[C@@H]2CCCC[C@H]21
Cc1ccc(N2C(=O)S/C(=C/C3=c4ccccc4=[NH+]C3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1S/C(=C/C2C[NH+]=c3ccccc3=2)C(=O)N1[*:1]
CNC(=O)CSCc1nc(C)cs1 CNC(=O)[*:1] Cc1csc(CSC[*:1])n1
CCCC[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 O=C([O-])[*:1] CCCC[C@H](N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)[*:1]
CCCC[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 CCCC[*:1] O=C([O-])[C@H](N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)[*:1]
CCCC[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 CCC[*:1] O=C([O-])[C@@H](C[*:1])N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31
CSc1ccc(-c2ccc(C(=O)[O-])o2)cc1 O=C([O-])[*:1] CSc1ccc(cc1)-c1ccc(o1)[*:1]
Cc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H]([NH2+]Cc1ccc2OCCOc2c1)[*:1]
Cc1cc2c(SCCC(=O)N[C@H](C)c3ccccc3)ncnc2s1 c1ccc(cc1)[*:1] Cc1cc2c(ncnc2s1)SCCC(=O)N[C@H](C)[*:1]
Cc1cc2c(SCCC(=O)N[C@H](C)c3ccccc3)ncnc2s1 C[C@H](c1ccccc1)[*:1] Cc1cc2c(ncnc2s1)SCCC(=O)N[*:1]
COCC(=O)N1CC[C@@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 COC[*:1] CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(C1)C(=O)[*:1]
COCC(=O)N1CC[C@@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 CN(C)C(=O)[*:1] COCC(=O)N1CC[C@H](C1)c1c(sc2ncccc12)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1 CC(=O)N[*:1] CN(C)C(=O)N1CCC[C@@H](C1)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3n2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)O[C@@H](C)c1nc2ccccc2n1C
CC(C)NC(=O)CC[NH2+]Cc1cnc(-c2cccs2)s1 CC(C)[*:1] O=C(CC[NH2+]Cc1cnc(s1)-c1cccs1)N[*:1]
CC(C)NC(=O)CC[NH2+]Cc1cnc(-c2cccs2)s1 c1csc(c1)[*:1] CC(C)NC(=O)CC[NH2+]Cc1cnc(s1)[*:1]
CC(C)NC(=O)CC[NH2+]Cc1cnc(-c2cccs2)s1 CC(C)NC(=O)[*:1] c1csc(c1)-c1ncc(C[NH2+]CC[*:1])s1
COc1cccc([C@@H](CO)NC(=O)[C@H](C)c2cccnc2)c1 c1cncc(c1)[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)[C@H](C)[*:1]
CCCc1cc(NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)n(C)n1 O=C(N[*:1])C1CC1 CCCc1cc(NC(=O)N[C@H](C)c2ccc(cc2)[*:1])n(C)n1
CCCc1cc(NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)n(C)n1 CCC[*:1] C[C@@H](NC(=O)Nc1cc(nn1C)[*:1])c1ccc(cc1)NC(=O)C1CC1
CCCc1cc(NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)n(C)n1 CCCc1cc(n(C)n1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)NC(=O)C1CC1
CCCc1cc(NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)n(C)n1 C1CC1[*:1] CCCc1cc(NC(=O)N[C@H](C)c2ccc(cc2)NC(=O)[*:1])n(C)n1
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 CCC[*:1] N#Cc1ccc(cc1)CN(C(=O)N[C@@H]1CCN(C1)CC(F)(F)F)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C1)C[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C1)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 N#Cc1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)N[C@@H]1CCN(C1)CC(F)(F)F
Cn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1cccs1 c1csc(c1)[*:1] Cn1c(nnc1[*:1])SCC(=O)c1c[nH]c2ccccc12
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNc1ccccc1 Clc1ccccc1C[*:1] Cc1nn(c(C)c1C(=O)NNc1ccccc1)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NN[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNc1ccccc1 Clc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1C(=O)NNc1ccccc1
C#Cc1ccc(CN(Cc2ccccc2)Cc2nccs2)cc1 c1ccc(cc1)[*:1] C#Cc1ccc(cc1)CN(Cc1nccs1)C[*:1]
C#Cc1ccc(CN(Cc2ccccc2)Cc2nccs2)cc1 c1csc(C[*:1])n1 C#Cc1ccc(cc1)CN(Cc1ccccc1)[*:1]
C#Cc1ccc(CN(Cc2ccccc2)Cc2nccs2)cc1 c1ccc(cc1)C[*:1] C#Cc1ccc(cc1)CN(Cc1nccs1)[*:1]
C#Cc1ccc(CN(Cc2ccccc2)Cc2nccs2)cc1 c1csc(n1)[*:1] C#Cc1ccc(cc1)CN(Cc1ccccc1)C[*:1]
Cc1cscc1CNC(=O)N[C@@H](C)c1nc(C(=O)[O-])cs1 O=C([O-])[*:1] Cc1cscc1CNC(=O)N[C@@H](C)c1nc(cs1)[*:1]
Cc1cscc1CNC(=O)N[C@@H](C)c1nc(C(=O)[O-])cs1 Cc1cscc1C[*:1] C[C@H](NC(=O)N[*:1])c1nc(cs1)C(=O)[O-]
Cc1cscc1CNC(=O)N[C@@H](C)c1nc(C(=O)[O-])cs1 Cc1cscc1[*:1] C[C@H](NC(=O)NC[*:1])c1nc(cs1)C(=O)[O-]
O=C(CC(F)(F)F)Nc1ccc(CCN2CCOCC2)cc1 FC(F)(F)C[*:1] O=C(Nc1ccc(cc1)CCN1CCOCC1)[*:1]
O=C(CC(F)(F)F)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(CC(F)(F)F)Nc1ccc(cc1)CC[*:1]
O=C(CC(F)(F)F)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=C(CC(F)(F)F)Nc1ccc(cc1)C[*:1]
O=C(CC(F)(F)F)Nc1ccc(CCN2CCOCC2)cc1 FC(F)(F)[*:1] O=C(C[*:1])Nc1ccc(cc1)CCN1CCOCC1
Cc1nnc([C@H](C)N2C[C@H](C)O[C@H](c3ccccc3)C2)o1 Cc1nnc(o1)[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)[C@@H](C)[*:1]
Cc1nnc([C@H](C)N2C[C@H](C)O[C@H](c3ccccc3)C2)o1 c1ccc(cc1)[*:1] Cc1nnc(o1)[C@H](C)N1C[C@H](C)O[C@H](C1)[*:1]
C[NH2+][C@H](C)c1ccc(SCC(C)C)c(F)c1 CC(C)CS[*:1] C[NH2+][C@H](C)c1ccc(c(F)c1)[*:1]
C[NH2+][C@H](C)c1ccc(SCC(C)C)c(F)c1 CC(C)[*:1] C[NH2+][C@H](C)c1ccc(SC[*:1])c(F)c1
C[NH2+][C@H](C)c1ccc(SCC(C)C)c(F)c1 CC(C)C[*:1] C[NH2+][C@H](C)c1ccc(S[*:1])c(F)c1
CCOc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](CC)CC1 CCOc1ccccc1[*:1] CC[NH+]1CCC(CC1)N(Cc1ccc2OCOc2c1)C(=O)N[*:1]
CCOc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](CC)CC1 CCO[*:1] CC[NH+]1CCC(CC1)N(Cc1ccc2OCOc2c1)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](CC)CC1 c1cc2OCOc2cc1C[*:1] CCOc1ccccc1NC(=O)N(C1CC[NH+](CC)CC1)[*:1]
CCOc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CC[NH+](CC)CC1 c1cc2OCOc2cc1[*:1] CCOc1ccccc1NC(=O)N(C[*:1])C1CC[NH+](CC)CC1
C/[NH+]=C(\NCc1cccc(C(N)=O)c1)NC[C@@H]1CCCO1 NC(=O)[*:1] C/[NH+]=C(\NCc1cccc(c1)[*:1])NC[C@@H]1CCCO1
C/[NH+]=C(\NCc1cccc(C(N)=O)c1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C/[NH+]=C(\NCc1cccc(c1)C(N)=O)NC[*:1]
C/[NH+]=C(\NCc1cccc(C(N)=O)c1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C/[NH+]=C(\NCc1cccc(c1)C(N)=O)N[*:1]
CCN(CCC#N)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 N#CC[*:1] CCN(C[*:1])C(=O)Nc1ccc(OCc2ccccn2)c(F)c1
CCN(CCC#N)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 c1ccc(nc1)[*:1] CCN(CCC#N)C(=O)Nc1ccc(OC[*:1])c(F)c1
CCN(CCC#N)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 c1ccc(CO[*:1])nc1 CCN(CCC#N)C(=O)Nc1ccc(c(F)c1)[*:1]
CCN(CCC#N)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 c1ccc(C[*:1])nc1 CCN(CCC#N)C(=O)Nc1ccc(O[*:1])c(F)c1
CCN(CCC#N)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 N#CCC[*:1] CCN(C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)[*:1]
O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCCN2C(=O)/C=C/c2cc(F)ccc2F)C1 Fc1ccc(F)c(C=C[*:1])c1 O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCCN2C(=O)[*:1])C1
O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCCN2C(=O)/C=C/c2cc(F)ccc2F)C1 Fc1ccc(F)c(c1)[*:1] O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCCN2C(=O)C=C[*:1])C1
O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCCN2C(=O)/C=C/c2cc(F)ccc2F)C1 C1CC(CCO1)[*:1] O=C(/C=C/c1cc(F)ccc1F)N1CCC[C@@H]2CN(CC[C@@H]21)C(=O)[*:1]
CC(C)CCn1nnnc1[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccco2)CC1 Fc1ccc(cc1)[*:1] CC(C)CCn1nnnc1[C@H]([NH+]1CCN(CC1)C(=O)c1ccco1)[*:1]
CC(C)CCn1nnnc1[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccco2)CC1 CC(C)[*:1] O=C(c1ccco1)N1CC[NH+](CC1)[C@@H](c1ccc(F)cc1)c1nnnn1CC[*:1]
CC(C)CCn1nnnc1[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccco2)CC1 CC(C)C[*:1] O=C(c1ccco1)N1CC[NH+](CC1)[C@@H](c1ccc(F)cc1)c1nnnn1C[*:1]
CC(C)CCn1nnnc1[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CC(C)CCn1nnnc1[C@H](c1ccc(F)cc1)[NH+]1CCN(CC1)C(=O)[*:1]
CC(C)CCn1nnnc1[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccco2)CC1 CC(C)CCn1nnnc1[*:1] O=C(c1ccco1)N1CC[NH+](CC1)[C@@H](c1ccc(F)cc1)[*:1]
CC(C)CCn1nnnc1[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccco2)CC1 CC(C)CC[*:1] O=C(c1ccco1)N1CC[NH+](CC1)[C@@H](c1ccc(F)cc1)c1nnnn1[*:1]
CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3sccc3C)o2)CC1 Cc1ccsc1[*:1] CCN1CCN(CC1)C(=O)[C@@H](C)Sc1nnc(o1)[*:1]
Cc1ccc(-c2nc(C(=O)N(Cc3ccccc3)[C@@H](C)CCO)cs2)o1 Cc1ccc(o1)[*:1] C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1csc(n1)[*:1]
Cc1ccc(-c2nc(C(=O)N(Cc3ccccc3)[C@@H](C)CCO)cs2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)-c1nc(cs1)C(=O)N(C[*:1])[C@@H](C)CCO
Cc1ccc(-c2nc(C(=O)N(Cc3ccccc3)[C@@H](C)CCO)cs2)o1 OCC[*:1] Cc1ccc(o1)-c1nc(cs1)C(=O)N(Cc1ccccc1)[C@@H](C)[*:1]
Cc1ccc(-c2nc(C(=O)N(Cc3ccccc3)[C@@H](C)CCO)cs2)o1 c1ccc(cc1)C[*:1] Cc1ccc(o1)-c1nc(cs1)C(=O)N([C@@H](C)CCO)[*:1]
CC[C@@H](C(=O)N(C)Cc1nccn1Cc1ccccc1)N1CCCC1=O c1ccc(cc1)[*:1] CC[C@@H](C(=O)N(C)Cc1nccn1C[*:1])N1CCCC1=O
CC[C@@H](C(=O)N(C)Cc1nccn1Cc1ccccc1)N1CCCC1=O c1ccc(cc1)C[*:1] CC[C@@H](C(=O)N(C)Cc1nccn1[*:1])N1CCCC1=O
CC[C@@H](C(=O)N(C)Cc1nccn1Cc1ccccc1)N1CCCC1=O O=C1CCCN1[*:1] CC[C@@H](C(=O)N(C)Cc1nccn1Cc1ccccc1)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CCO[C@@H]1C c1ccc(cc1)C[*:1] COC(=O)[C@H](C)N(C(=O)[C@H]1CCO[C@@H]1C)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CCO[C@@H]1C COC(=O)[C@H](C)[*:1] C[C@H]1OCC[C@@H]1C(=O)N(Cc1ccccc1)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CCO[C@@H]1C COC(=O)[*:1] C[C@H](N(Cc1ccccc1)C(=O)[C@H]1CCO[C@@H]1C)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CCO[C@@H]1C c1ccc(cc1)[*:1] COC(=O)[C@H](C)N(C[*:1])C(=O)[C@H]1CCO[C@@H]1C
Cn1c(=O)c2ccc([C@@H]3CCCCN3C(=O)CN3CCOCC3)nc2n(C)c1=O C1CN(CCO1)C[*:1] Cn1c(=O)c2ccc(nc2n(C)c1=O)[C@@H]1CCCCN1C(=O)[*:1]
Cn1c(=O)c2ccc([C@@H]3CCCCN3C(=O)CN3CCOCC3)nc2n(C)c1=O C1CN(CCO1)[*:1] Cn1c(=O)c2ccc(nc2n(C)c1=O)[C@@H]1CCCCN1C(=O)C[*:1]
Nc1cc(C(F)(F)F)ccc1NC(=O)CSC[C@@H](O)CO OC[C@H](O)CSC[*:1] Nc1cc(ccc1NC(=O)[*:1])C(F)(F)F
Nc1cc(C(F)(F)F)ccc1NC(=O)CSC[C@@H](O)CO OC[C@H](O)[*:1] Nc1cc(ccc1NC(=O)CSC[*:1])C(F)(F)F
Nc1cc(C(F)(F)F)ccc1NC(=O)CSC[C@@H](O)CO FC(F)(F)[*:1] Nc1cc(ccc1NC(=O)CSC[C@@H](O)CO)[*:1]
Cc1cccc(NC(=S)N(C)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=S)N(C)C[*:1]
COc1ccc(CNC(=O)CN2CCN(CCO)CC2)cc1 OCC[*:1] COc1ccc(cc1)CNC(=O)CN1CCN(CC1)[*:1]
CC(C)c1cc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)n2nccc2n1 Fc1ccc(cc1)[*:1] CC(C)c1cc(NC[C@@H]2CCN(C2)[*:1])n2nccc2n1
CC(C)c1cc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)n2nccc2n1 CC(C)[*:1] Fc1ccc(cc1)N1CC[C@@H](CNc2cc(nc3ccnn23)[*:1])C1
CCC(=O)N1C(=O)[C@]2(S[C@H](C)C(=O)N2c2ccc(F)cc2)c2ccccc21 Fc1ccc(cc1)[*:1] CCC(=O)N1C(=O)[C@]2(S[C@H](C)C(=O)N2[*:1])c2ccccc21
CC(C)CNC(=O)NCCNC(=O)c1cccnc1 CC(C)[*:1] O=C(NCCNC(=O)c1cccnc1)NC[*:1]
CC(C)CNC(=O)NCCNC(=O)c1cccnc1 c1cncc(c1)[*:1] CC(C)CNC(=O)NCCNC(=O)[*:1]
CC(C)CNC(=O)NCCNC(=O)c1cccnc1 CC(C)C[*:1] O=C(NCCNC(=O)c1cccnc1)N[*:1]
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br FC(F)(F)[*:1] COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(c2)[*:1])cc1Br
Cc1ccc(-n2c(SCC(=O)NC(C)C)nc3ccsc3c2=O)cc1C CC(C)[*:1] Cc1ccc(cc1C)-n1c(nc2ccsc2c1=O)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)NC(C)C)nc3ccsc3c2=O)cc1C CC(C)NC(=O)C[*:1] Cc1ccc(cc1C)-n1c(nc2ccsc2c1=O)S[*:1]
Cc1ccc(-n2c(SCC(=O)NC(C)C)nc3ccsc3c2=O)cc1C CC(C)NC(=O)CS[*:1] Cc1ccc(cc1C)-n1c(nc2ccsc2c1=O)[*:1]
Cc1ccc(-n2c(SCC(=O)NC(C)C)nc3ccsc3c2=O)cc1C CC(C)NC(=O)[*:1] Cc1ccc(cc1C)-n1c(nc2ccsc2c1=O)SC[*:1]
Cc1ccc(-n2c(SCC(=O)NC(C)C)nc3ccsc3c2=O)cc1C Cc1ccc(cc1C)[*:1] CC(C)NC(=O)CSc1nc2ccsc2c(=O)n1[*:1]
CCC(=O)N1CCC(Cc2cc(NC3CCCC3)nc(C)[nH+]2)CC1 C1CCC(C1)N[*:1] CCC(=O)N1CCC(CC1)Cc1cc(nc(C)[nH+]1)[*:1]
CCC(=O)N1CCC(Cc2cc(NC3CCCC3)nc(C)[nH+]2)CC1 C1CCC(C1)[*:1] CCC(=O)N1CCC(CC1)Cc1cc(nc(C)[nH+]1)N[*:1]
CC(C)(C)C(=O)NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 CC(C)(C)C(=O)N[*:1] OC1(CC[NH+](CC1)CC[*:1])c1ccc(F)cc1
CC(C)(C)C(=O)NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)(C)C(=O)NCC[NH+]1CCC(O)(CC1)[*:1]
CC(C)(C)C(=O)NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 CC(C)(C)[*:1] O=C(NCC[NH+]1CCC(O)(CC1)c1ccc(F)cc1)[*:1]
O=C(N[C@H]1CCSC1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(N[C@H]1CCSC1=O)c1ccc(Cl)c(c1)[*:1]
COc1cc(C[NH2+]CCn2cccn2)cc2c1OCCO2 c1cnn(c1)[*:1] COc1cc(cc2OCCOc12)C[NH2+]CC[*:1]
COc1cc(C[NH2+]CCn2cccn2)cc2c1OCCO2 c1cnn(c1)CC[*:1] COc1cc(cc2OCCOc12)C[NH2+][*:1]
COc1cc(C[NH2+]CCn2cccn2)cc2c1OCCO2 c1cnn(c1)C[*:1] COc1cc(cc2OCCOc12)C[NH2+]C[*:1]
C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1ccc(Cl)s1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)NCC(C)(C)[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)[*:1]
Cc1ccc(CC(=O)N2CCC[C@@H]2c2cc(N3CC[NH+](C)CC3)cc(C)[nH+]2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(cc([nH+]1)[C@H]1CCCN1C(=O)C[*:1])N1CC[NH+](C)CC1
Cc1ccc(CC(=O)N2CCC[C@@H]2c2cc(N3CC[NH+](C)CC3)cc(C)[nH+]2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(cc([nH+]1)[C@H]1CCCN1C(=O)[*:1])N1CC[NH+](C)CC1
Cc1cc(CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)on1 Cc1cc(C[*:1])on1 c1ccc2c(c1)CCC[C@H]2[NH+]1CCN(CC1)[*:1]
Cc1cc(CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)on1 Cc1cc(on1)[*:1] c1ccc2c(c1)CCC[C@H]2[NH+]1CCN(CC1)C[*:1]
CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(Cc2cc(C(=O)OC)c(C)o2)C1=O COC(=O)[*:1] CC[C@]1(NC(=O)N(Cc2cc(c(C)o2)[*:1])C1=O)c1cccc(Cl)c1
CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(Cc2cc(C(=O)OC)c(C)o2)C1=O Clc1cccc(c1)[*:1] CC[C@]1(NC(=O)N(Cc2cc(C(=O)OC)c(C)o2)C1=O)[*:1]
CC1(C)[C@@H](NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)[C@H]2CCO[C@@H]21 Fc1ccc(cc1)[*:1] CC1(C)[C@@H](NC(=O)c2ccc(=O)n(n2)[*:1])[C@H]2CCO[C@@H]21
CC[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 Cc1ccc(nn1)[*:1] CC[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(cc1)O[*:1]
CC[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 Cc1ccc(nn1)O[*:1] CC[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)Cn1nc2ccccn2c1=O CC[C@H](C)[*:1] C[C@H](C[*:1])NC(=O)Cn1nc2ccccn2c1=O
CC[C@H](C)C[C@@H](C)NC(=O)Cn1nc2ccccn2c1=O CC[C@H](C)C[*:1] C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)[*:1]
Cc1cccc(C(C)(C)NC(=O)Nc2ccc(-c3ncon3)cc2)c1 c1nc(no1)[*:1] Cc1cccc(c1)C(C)(C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(C(C)(C)NC(=O)Nc2ccc(-c3ncon3)cc2)c1 Cc1cccc(c1)[*:1] CC(C)(NC(=O)Nc1ccc(cc1)-c1ncon1)[*:1]
c1cncc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c1 c1cncc(c1)[*:1] c1cc2OCCCOc2cc1C[NH2+]C[*:1]
Cc1cc(NC(=O)OCCO)ccc1[N+](=O)[O-] OCC[*:1] Cc1cc(ccc1[N+](=O)[O-])NC(=O)O[*:1]
Cc1cc(NC(=O)OCCO)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])NC(=O)OCCO
CCc1ccc2nc(N(Cc3ccccn3)C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1 c1ccc(nc1)[*:1] CCc1ccc2nc(sc2c1)N(C[*:1])C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
CCc1ccc2nc(N(Cc3ccccn3)C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1 CCc1ccc2nc(sc2c1)[*:1] Cn1c(=O)c2c(ncn2CC(=O)N(Cc2ccccn2)[*:1])n(C)c1=O
CCc1ccc2nc(N(Cc3ccccn3)C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1 c1ccc(C[*:1])nc1 CCc1ccc2nc(sc2c1)N(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCCC[NH2+]2)c1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)[C@@H]1CCCC[NH2+]1)O[*:1]
Cc1c(C(=O)Nc2cn[nH]c2)cnn1-c1cccc(Cl)c1 c1n[nH]cc1[*:1] Cc1c(cnn1-c1cccc(Cl)c1)C(=O)N[*:1]
Cc1c(C(=O)Nc2cn[nH]c2)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cn[nH]c1
CC(C)C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-] CC(C)C[*:1] N#CCc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)[O-])[*:1]
CC(C)C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-] CC(C)[*:1] N#CCc1ccc(cc1)S(=O)(=O)N[C@H](C[*:1])C(=O)[O-]
CC(C)C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](NS(=O)(=O)c1ccc(cc1)CC#N)[*:1]
CC(C)C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-] N#CC[*:1] CC(C)C[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])C(=O)[O-]
CCNC(=O)c1cccc(CNC(=O)N(CC)CC)c1 CCNC(=O)[*:1] CCN(CC)C(=O)NCc1cccc(c1)[*:1]
COc1ccc([C@@H]2Oc3nc(SC)nnc3-c3cc(Cl)ccc3N2C(C)=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] CSc1nnc2-c3cc(Cl)ccc3N(C(C)=O)[C@@H](Oc2n1)[*:1]
C[C@H]1C[C@@H]1c1ccc(C/[NH+]=C(/N)Nc2cnn(C)c2)o1 Cn1cc(cn1)[*:1] C[C@H]1C[C@@H]1c1ccc(C/[NH+]=C(/N)N[*:1])o1
C[C@H]1C[C@@H]1c1ccc(C/[NH+]=C(/N)Nc2cnn(C)c2)o1 C[C@H]1C[C@H]1[*:1] Cn1cc(cn1)N/C(N)=[NH+]\Cc1ccc(o1)[*:1]
Cc1ccc(CC(=O)NCCc2ccc3c(c2)CCO3)cn1 Cc1ccc(cn1)[*:1] O=C(C[*:1])NCCc1ccc2OCCc2c1
N#Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)sc2c1CCC2 Clc1ccc(cc1)[*:1] N#Cc1c(NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)[*:1])sc2CCCc21
Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O
C[C@H](Nc1ccc2c(c1)C(=O)N(C)C2=O)C1(C)CC1 CC1(CC1)[*:1] C[C@H](Nc1ccc2C(=O)N(C)C(=O)c2c1)[*:1]
CCOC(=O)N1CCC[C@@H](C(=O)O[C@H](C)Cn2cccn2)C1 c1cnn(c1)[*:1] CCOC(=O)N1CCC[C@H](C1)C(=O)O[C@H](C)C[*:1]
CCOC(=O)N1CCC[C@@H](C(=O)O[C@H](C)Cn2cccn2)C1 c1cnn(c1)C[*:1] CCOC(=O)N1CCC[C@H](C1)C(=O)O[C@H](C)[*:1]
C[C@@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cc(F)cc(F)c1 FC(F)(F)[*:1] C[C@@H](NC[C@@H](O)c1cccc(c1)[*:1])c1cc(F)cc(F)c1
C[C@@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] C[C@@H](NC[C@@H](O)c1cccc(c1)C(F)(F)F)[*:1]
COc1ccc(/C=C(/C)CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 COc1ccc(cc1)[*:1] CC(=C[*:1])CN1CC[NH+](CC1)C[C@@H]1CCOC1
Cn1cccc1[C@H]1CCCCN1Cc1cnc(N2CCOCC2)nc1 Cn1cccc1[*:1] c1nc(ncc1CN1CCCC[C@@H]1[*:1])N1CCOCC1
Cn1cccc1[C@H]1CCCCN1Cc1cnc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] Cn1cccc1[C@H]1CCCCN1Cc1cnc(nc1)[*:1]
CC(C)c1nc([C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)no1 CC(C)[*:1] O=C([C@@H]1CC=CCC1)N1CCC[C@@H](C1)c1noc(n1)[*:1]
COc1ccc([C@H](CNC(=O)c2ccc3[nH]nnc3c2)N2CCOCC2)cc1 c1cc2[nH]nnc2cc1[*:1] COc1ccc(cc1)[C@H](CNC(=O)[*:1])N1CCOCC1
COc1ccc([C@H](CNC(=O)c2ccc3[nH]nnc3c2)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1ccc2[nH]nnc2c1
COc1ccc([C@H](CNC(=O)c2ccc3[nH]nnc3c2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)c1ccc2[nH]nnc2c1)[*:1]
C#CCOc1cccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)c1 C#CC[*:1] O=c1cc(nc([nH]1)C1CC[NH+](CC1)Cc1cccc(c1)O[*:1])-c1cccnc1
C#CCOc1cccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)c1 C#CCOc1cccc(c1)[*:1] O=c1cc(nc([nH]1)C1CC[NH+](CC1)C[*:1])-c1cccnc1
C#CCOc1cccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)c1 C#CCO[*:1] O=c1cc(nc([nH]1)C1CC[NH+](CC1)Cc1cccc(c1)[*:1])-c1cccnc1
C#CCOc1cccc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[nH]3)CC2)c1 c1cncc(c1)[*:1] C#CCOc1cccc(c1)C[NH+]1CCC(CC1)c1nc(cc(=O)[nH]1)[*:1]
COc1ccccc1[C@@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)C[C@H]1C(=O)[O-] COc1ccccc1[*:1] Cc1ccc2[nH+]c(cn2c1)CN1C[C@@H](C(=O)[O-])[C@@H](C1)[*:1]
COc1ccccc1[C@@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)C[C@H]1C(=O)[O-] O=C([O-])[*:1] COc1ccccc1[C@@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)C[C@@H]1[*:1]
C=C(C)COc1ccc(-c2cc(C(=O)N(C)C)nc(N)n2)cc1 C=C(C)CO[*:1] CN(C)C(=O)c1cc(nc(N)n1)-c1ccc(cc1)[*:1]
C=C(C)COc1ccc(-c2cc(C(=O)N(C)C)nc(N)n2)cc1 C=C(C)C[*:1] CN(C)C(=O)c1cc(nc(N)n1)-c1ccc(cc1)O[*:1]
C=C(C)COc1ccc(-c2cc(C(=O)N(C)C)nc(N)n2)cc1 C=C(C)[*:1] CN(C)C(=O)c1cc(nc(N)n1)-c1ccc(cc1)OC[*:1]
C=C(C)COc1ccc(-c2cc(C(=O)N(C)C)nc(N)n2)cc1 CN(C)C(=O)[*:1] C=C(C)COc1ccc(cc1)-c1cc(nc(N)n1)[*:1]
O=Cc1ccc(OCCOc2ccccc2)cn1 c1ccc(cc1)[*:1] O=Cc1ccc(cn1)OCCO[*:1]
O=C(CNC(=O)Cc1cccc(F)c1)NCCn1cccc1 c1ccn(c1)[*:1] O=C(CNC(=O)Cc1cccc(F)c1)NCC[*:1]
O=C(CNC(=O)Cc1cccc(F)c1)NCCn1cccc1 c1ccn(c1)C[*:1] O=C(CNC(=O)Cc1cccc(F)c1)NC[*:1]
O=C(CNC(=O)Cc1cccc(F)c1)NCCn1cccc1 Fc1cccc(c1)[*:1] O=C(CNC(=O)C[*:1])NCCn1cccc1
O=C(CNC(=O)Cc1cccc(F)c1)NCCn1cccc1 c1ccn(c1)CC[*:1] O=C(Cc1cccc(F)c1)NCC(=O)N[*:1]
O=C(COc1ccc(I)cc1)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 Ic1ccc(cc1)[*:1] O=C(CO[*:1])OCC(=O)N1CCN(CC1)c1ccc(F)cc1
O=C(COc1ccc(I)cc1)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 Ic1ccc(cc1)O[*:1] O=C(C[*:1])OCC(=O)N1CCN(CC1)c1ccc(F)cc1
O=C(COc1ccc(I)cc1)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 Ic1ccc(cc1)OC[*:1] O=C(COC(=O)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(COc1ccc(I)cc1)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(COc1ccc(I)cc1)OCC(=O)N1CCN(CC1)[*:1]
CCOC(=O)c1cc(Cl)c(NC(=O)C(C)C)cc1OC CC(C)[*:1] CCOC(=O)c1cc(Cl)c(cc1OC)NC(=O)[*:1]
CCOC(=O)c1cc(Cl)c(NC(=O)C(C)C)cc1OC CC(C)C(=O)N[*:1] CCOC(=O)c1cc(Cl)c(cc1OC)[*:1]
CCOC(=O)c1cc(Cl)c(NC(=O)C(C)C)cc1OC CCOC(=O)[*:1] COc1cc(NC(=O)C(C)C)c(Cl)cc1[*:1]
COc1ccc(OCc2nc(C(=O)N(C)C[C@H](C)O)co2)cc1 C[C@H](O)[*:1] COc1ccc(cc1)OCc1nc(co1)C(=O)N(C)C[*:1]
CCCc1cc(NC(=O)N(CC)Cc2c(F)cccc2F)n(C)n1 Fc1cccc(F)c1[*:1] CCCc1cc(NC(=O)N(CC)C[*:1])n(C)n1
CCCc1cc(NC(=O)N(CC)Cc2c(F)cccc2F)n(C)n1 CCC[*:1] CCN(Cc1c(F)cccc1F)C(=O)Nc1cc(nn1C)[*:1]
CCOC(=O)NNC(=O)Nc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CCOC(=O)NNC(=O)Nc1cnn(c1)[*:1]
CCOC(=O)c1nc(-c2ccccc2OC)no1 CCOC(=O)[*:1] COc1ccccc1-c1noc(n1)[*:1]
COc1ccc(C(=O)[O-])cc1NCc1cc(C#N)cs1 O=C([O-])[*:1] COc1ccc(cc1NCc1cc(C#N)cs1)[*:1]
Cc1c(C(=O)Nc2ccccc2OC(F)(F)F)sc2ccc(F)cc12 FC(F)(F)O[*:1] Cc1c(sc2ccc(F)cc12)C(=O)Nc1ccccc1[*:1]
Cc1c(C(=O)Nc2ccccc2OC(F)(F)F)sc2ccc(F)cc12 FC(F)(F)[*:1] Cc1c(sc2ccc(F)cc12)C(=O)Nc1ccccc1O[*:1]
CNc1cc(CSc2ncccn2)ccc1[N+](=O)[O-] c1cnc(nc1)[*:1] CNc1cc(ccc1[N+](=O)[O-])CS[*:1]
CNc1cc(CSc2ncccn2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1cc(ccc1[*:1])CSc1ncccn1
O=C(c1csnn1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 FC(F)[*:1] O=C(c1csnn1)N1CCO[C@@H](C1)c1cccc(c1)O[*:1]
O=C(c1csnn1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 c1snnc1[*:1] O=C(N1CCO[C@@H](C1)c1cccc(c1)OC(F)F)[*:1]
O=C(c1csnn1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] O=C(c1csnn1)N1CCO[C@@H](C1)c1cccc(c1)[*:1]
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)C[C@H]2CCOC2)cc1 CCO[*:1] CCN(C[C@H]1CCOC1)C(=O)/C(C#N)=C\c1ccc(cc1)[*:1]
COc1ccc(F)cc1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(F)cc1CS(=O)(=O)[C@@H](C)C(=O)N[*:1]
CCCS(=O)(=O)CC(=O)Nc1ccc(C)cc1Cl CCCS(=O)(=O)[*:1] Cc1ccc(NC(=O)C[*:1])c(Cl)c1
CCCS(=O)(=O)CC(=O)Nc1ccc(C)cc1Cl CCC[*:1] Cc1ccc(NC(=O)CS(=O)(=O)[*:1])c(Cl)c1
COC(=O)C(C)(C)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)Cn1ncc2cc(ccc21)[N+](=O)[O-])[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 O=[N+]([O-])[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)Cn1ncc2cc(ccc21)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 COC(=O)C(C)(C)[*:1] O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@H](C2)[*:1])c1
O=C(Nc1ccccc1Cl)N1CC(c2nc(-c3cnccn3)no2)C1 Clc1ccccc1[*:1] O=C(N[*:1])N1CC(C1)c1nc(no1)-c1cnccn1
O=C(Nc1ccccc1Cl)N1CC(c2nc(-c3cnccn3)no2)C1 c1cnc(cn1)[*:1] O=C(Nc1ccccc1Cl)N1CC(C1)c1nc(no1)[*:1]
O=C(C[NH+]1CCCCC1)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCCCC1)Nc1nc(cs1)[*:1]
O=C1CC[C@H](C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CN1 Clc1ccccc1[*:1] O=C1CC[C@@H](CN1)C(=O)Nc1ncc(C[*:1])s1
COc1cccc(NC(=O)Cn2ncn3c(C)c(C(=O)NCc4ccccc4)c(C)c3c2=O)c1 COc1cccc(c1)NC(=O)[*:1] Cc1c(C(=O)NCc2ccccc2)c(C)n2cnn(C[*:1])c(=O)c12
COc1cccc(NC(=O)Cn2ncn3c(C)c(C(=O)NCc4ccccc4)c(C)c3c2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)Cn1ncn2c(C)c(C(=O)NC[*:1])c(C)c2c1=O
COc1cccc(NC(=O)Cn2ncn3c(C)c(C(=O)NCc4ccccc4)c(C)c3c2=O)c1 O=C(NCc1ccccc1)[*:1] COc1cccc(c1)NC(=O)Cn1ncn2c(C)c(c(C)c2c1=O)[*:1]
COc1cccc(NC(=O)Cn2ncn3c(C)c(C(=O)NCc4ccccc4)c(C)c3c2=O)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)Cn1ncn2c(C)c(C(=O)N[*:1])c(C)c2c1=O
COc1cccc(NC(=O)Cn2ncn3c(C)c(C(=O)NCc4ccccc4)c(C)c3c2=O)c1 COc1cccc(c1)[*:1] Cc1c(C(=O)NCc2ccccc2)c(C)n2cnn(CC(=O)N[*:1])c(=O)c12
CS(=O)(=O)N1CCc2cc(C(=O)CSc3nnnn3Cc3cccs3)ccc21 c1csc(c1)C[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)CSc1nnnn1[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)CSc3nnnn3Cc3cccs3)ccc21 c1csc(c1)[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)CSc1nnnn1C[*:1]
N#C/C(=C\c1cccc2c1OCCO2)c1nc(-c2c(F)cccc2F)cs1 Fc1cccc(F)c1[*:1] N#C/C(=C\c1cccc2OCCOc12)c1nc(cs1)[*:1]
CN(CCS(C)(=O)=O)c1n[nH]c(=S)n1C1CCCCC1 CS(=O)(=O)CC[*:1] CN(c1n[nH]c(=S)n1C1CCCCC1)[*:1]
CN(CCS(C)(=O)=O)c1n[nH]c(=S)n1C1CCCCC1 CS(=O)(=O)C[*:1] CN(C[*:1])c1n[nH]c(=S)n1C1CCCCC1
CN(CCS(C)(=O)=O)c1n[nH]c(=S)n1C1CCCCC1 CS(=O)(=O)[*:1] CN(CC[*:1])c1n[nH]c(=S)n1C1CCCCC1
CN(CCS(C)(=O)=O)c1n[nH]c(=S)n1C1CCCCC1 C1CCC(CC1)[*:1] CN(CCS(C)(=O)=O)c1n[nH]c(=S)n1[*:1]
O=C(COc1ccc(C2CCCCC2)cc1)N/N=C/c1cccc(O)c1 C1CCC(CC1)[*:1] O=C(COc1ccc(cc1)[*:1])N/N=C/c1cccc(O)c1
O=C(COc1ccc(C2CCCCC2)cc1)N/N=C/c1cccc(O)c1 Oc1cccc(c1)[*:1] O=C(COc1ccc(cc1)C1CCCCC1)NN=C[*:1]
O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(F)c(Cl)c1 FC(F)(F)[*:1] O=C(Cn1nnc(n1)-c1cccc(c1)[*:1])Nc1ccc(F)c(Cl)c1
O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(Cn1nnc(n1)-c1cccc(c1)C(F)(F)F)N[*:1]
CCCc1cc([O-])cc(=O)o1 CCC[*:1] O=c1cc([O-])cc(o1)[*:1]
COc1cccc(CNS(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)c1 COc1cccc(c1)C[*:1] Cc1sc(cc1S(=O)(=O)N[*:1])-c1nc(no1)-c1ccccc1
COc1cccc(CNS(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)c1 COc1cccc(c1)[*:1] Cc1sc(cc1S(=O)(=O)NC[*:1])-c1nc(no1)-c1ccccc1
COc1cccc(CNS(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CNS(=O)(=O)c1cc(sc1C)-c1nc(no1)[*:1]
C[C@@](O)(CNC(=O)c1cc(Cl)cc2cccnc12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)c1cc(Cl)cc2cccnc12)[*:1]
O=C(c1ccc(F)cc1)C1CC1 C1CC1[*:1] O=C(c1ccc(F)cc1)[*:1]
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 O=[N+]([O-])[*:1] CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[*:1]
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ClC(Cl)=C[*:1] CC1(C)[C@@H](C(=O)Nc2ncc(s2)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])[C@@H]1[*:1]
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 O=[N+]([O-])c1ccc(cc1)[*:1] CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ncc(s1)S(=O)(=O)[*:1]
O=C(NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 c1cc(cs1)[*:1] O=C(NC1CC[NH+](CCc2ccc(cc2)[N+](=O)[O-])CC1)[*:1]
O=C(NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 O=C(N[*:1])c1ccsc1 O=[N+]([O-])c1ccc(cc1)CC[NH+]1CCC(CC1)[*:1]
O=C(NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 O=[N+]([O-])[*:1] O=C(NC1CC[NH+](CCc2ccc(cc2)[*:1])CC1)c1ccsc1
COC(=O)[C@H](C)CN(C)Cc1c[nH]nc1-c1cccc(Cl)c1 COC(=O)[*:1] C[C@H](CN(C)Cc1c[nH]nc1-c1cccc(Cl)c1)[*:1]
COC(=O)[C@H](C)CN(C)Cc1c[nH]nc1-c1cccc(Cl)c1 COC(=O)[C@H](C)C[*:1] CN(Cc1c[nH]nc1-c1cccc(Cl)c1)[*:1]
COC(=O)[C@H](C)CN(C)Cc1c[nH]nc1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)[C@H](C)CN(C)Cc1c[nH]nc1[*:1]
COC(=O)[C@H](C)CN(C)Cc1c[nH]nc1-c1cccc(Cl)c1 COC(=O)[C@H](C)[*:1] CN(Cc1c[nH]nc1-c1cccc(Cl)c1)C[*:1]
Cn1cnnc1SCC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 Cn1cnnc1SC[*:1] O=C(NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)[*:1]
Cn1cnnc1SCC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 Clc1ccc(c(Cl)c1)[*:1] Cn1cnnc1SCC(=O)NC[C@H](c1c[nH]c2ccccc12)[*:1]
Cn1cnnc1SCC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 Cn1cnnc1S[*:1] O=C(C[*:1])NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12
Cn1cnnc1SCC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cn1cnnc1SCC(=O)NC[C@H](c1ccc(Cl)cc1Cl)[*:1]
Cn1cnnc1SCC(=O)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 Cn1cnnc1[*:1] O=C(CS[*:1])NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12
O=C(/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] O=C(/C=N/Nc1ccc(cc1[N+](=O)[O-])[*:1])c1ccccc1
O=C(/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[*:1]
O=C(/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] O=C(/C=N/Nc1ccc(cc1[*:1])[N+](=O)[O-])c1ccccc1
C[C@@H](CNC(=O)COc1ccccc1)c1cccs1 c1csc(c1)[*:1] C[C@@H](CNC(=O)COc1ccccc1)[*:1]
C[C@@H](CNC(=O)COc1ccccc1)c1cccs1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)CO[*:1])c1cccs1
CO[C@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C Cc1ccccc1[*:1] CO[C@H](C)C(=O)Nc1cc(nn1[*:1])C(C)(C)C
CO[C@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C CO[C@H](C)C(=O)N[*:1] Cc1ccccc1-n1nc(cc1[*:1])C(C)(C)C
CO[C@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C CO[C@H](C)[*:1] Cc1ccccc1-n1nc(cc1NC(=O)[*:1])C(C)(C)C
CO[C@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C CC(C)(C)[*:1] CO[C@H](C)C(=O)Nc1cc(nn1-c1ccccc1C)[*:1]
Cc1cc2cc(C(=O)Nc3cccc(-c4nncn4C)c3)oc2cc1C Cn1cnnc1[*:1] Cc1cc2cc(oc2cc1C)C(=O)Nc1cccc(c1)[*:1]
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(Cl)cc1[N+](=O)[O-]
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1)C(F)(F)F)N1CCN(CC1)c1ccc(Cl)cc1[*:1]
C[C@H](NC(=O)CNc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CNc1ccc(cc1)C(=O)N1CCCCC1)[*:1]
C[C@H](NC(=O)CNc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CNc1ccc(cc1)C(=O)N1CCCCC1)N[*:1]
C[C@H](NC(=O)CNc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 O=C(N1CCCCC1)[*:1] C[C@H](NC(=O)CNc1ccc(cc1)[*:1])c1ccccc1
COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2F)cc1OC Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1OC)[C@@H]1CCCN1S(=O)(=O)[*:1]
O=C(Cc1cccc(Cl)c1)NC[C@H](CCO)c1ccccc1 Clc1cccc(c1)[*:1] O=C(C[*:1])NC[C@H](CCO)c1ccccc1
O=C(Cc1cccc(Cl)c1)NC[C@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cccc(Cl)c1)NC[C@H](CCO)[*:1]
O=C(Cc1cccc(Cl)c1)NC[C@H](CCO)c1ccccc1 OCC[*:1] O=C(Cc1cccc(Cl)c1)NC[C@H](c1ccccc1)[*:1]
Cc1cc(Cl)ccc1NC(=S)N(Cc1cccnc1)C[C@H]1CC=CCC1 Cc1cc(Cl)ccc1[*:1] S=C(N[*:1])N(Cc1cccnc1)C[C@H]1CC=CCC1
Cc1cc(Cl)ccc1NC(=S)N(Cc1cccnc1)C[C@H]1CC=CCC1 c1cncc(c1)C[*:1] Cc1cc(Cl)ccc1NC(=S)N(C[C@H]1CC=CCC1)[*:1]
Cc1cc(Cl)ccc1NC(=S)N(Cc1cccnc1)C[C@H]1CC=CCC1 c1cncc(c1)[*:1] Cc1cc(Cl)ccc1NC(=S)N(C[C@H]1CC=CCC1)C[*:1]
CCOC(=O)[C@](O)(CC(=O)Nc1ccc(C)c(C)c1)C(F)(F)F CCOC(=O)[*:1] Cc1ccc(cc1C)NC(=O)C[C@@](O)(C(F)(F)F)[*:1]
CCOC(=O)[C@](O)(CC(=O)Nc1ccc(C)c(C)c1)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@](O)(CC(=O)Nc1ccc(C)c(C)c1)[*:1]
COc1ncccc1CNC(=O)[C@@H](NC(C)=O)C1CCCC1 C1CCC(C1)[*:1] COc1ncccc1CNC(=O)[C@@H](NC(C)=O)[*:1]
COc1ncccc1CNC(=O)[C@@H](NC(C)=O)C1CCCC1 CC(=O)N[*:1] COc1ncccc1CNC(=O)[C@@H](C1CCCC1)[*:1]
CCOc1ccc([C@H](C)NC(=O)NNc2cccc(C#N)c2)cc1 CCO[*:1] C[C@H](NC(=O)NNc1cccc(C#N)c1)c1ccc(cc1)[*:1]
CCOc1ccc([C@H](C)NC(=O)NNc2cccc(C#N)c2)cc1 N#Cc1cccc(c1)[*:1] CCOc1ccc(cc1)[C@H](C)NC(=O)NN[*:1]
COc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1 COc1cccc(c1)[*:1] Cn1c(=O)c(=O)n(C)c2cc(ccc21)S(=O)(=O)CCC(=O)N[*:1]
CC[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1ccccc1)S(C)(=O)=O c1cc2OCOc2cc1[*:1] CC[C@H](C(=O)NC[*:1])N(c1ccccc1)S(C)(=O)=O
CC[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] CC[C@H](C(=O)NCc1ccc2OCOc2c1)N(S(C)(=O)=O)[*:1]
CCc1ccc(C2=Nc3nnnn3[C@@H](c3cccc(OC)c3)C2)cc1 CCc1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1CC(=Nc2nnnn21)[*:1]
CCc1ccc(C2=Nc3nnnn3[C@@H](c3cccc(OC)c3)C2)cc1 COc1cccc(c1)[*:1] CCc1ccc(cc1)C1C[C@H](n2nnnc2N=1)[*:1]
CCc1ccc([C@H]2COCCN2C(=O)CCOC(C)C)o1 CC(C)[*:1] CCc1ccc(o1)[C@H]1COCCN1C(=O)CCO[*:1]
CCc1ccc([C@H]2COCCN2C(=O)CCOC(C)C)o1 CC(C)O[*:1] CCc1ccc(o1)[C@H]1COCCN1C(=O)CC[*:1]
CCc1ccc([C@H]2COCCN2C(=O)CCOC(C)C)o1 CC(C)OC[*:1] CCc1ccc(o1)[C@H]1COCCN1C(=O)C[*:1]
CCc1ccc([C@H]2COCCN2C(=O)CCOC(C)C)o1 CC(C)OCC[*:1] CCc1ccc(o1)[C@H]1COCCN1C(=O)[*:1]
CCc1ccc([C@H]2COCCN2C(=O)CCOC(C)C)o1 CCc1ccc(o1)[*:1] CC(C)OCCC(=O)N1CCOC[C@@H]1[*:1]
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 CNC(=O)[*:1] N#CC(=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1)[*:1]
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 Clc1ccccc1[*:1] CNC(=O)/C(C#N)=C1\S[C@@H](C[*:1])C(=O)N1c1ccc(Br)cc1
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1[*:1]
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 Clc1ccccc1C[*:1] CNC(=O)/C(C#N)=C1\S[C@@H](C(=O)N1c1ccc(Br)cc1)[*:1]
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)ccc1OCc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)CO[*:1] COc1cc(ccc1[*:1])[C@@H]1C2C(=O)CCCC=2Nc2ncnn21
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)ccc1OCc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1C2C(=O)CCCC=2Nc2ncnn21
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)ccc1OCc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1C2C(=O)CCCC=2Nc2ncnn21
C=CCCC(=O)N(C)C1(C(=O)OC)CCCCC1 C=CCC[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)[*:1]
C=CCCC(=O)N(C)C1(C(=O)OC)CCCCC1 COC(=O)[*:1] C=CCCC(=O)N(C)C1(CCCCC1)[*:1]
C=CCCC(=O)N(C)C1(C(=O)OC)CCCCC1 C=CC[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)C[*:1]
CC(C)c1nc(CN(CCC#N)CC2CC2)cs1 C1CC1[*:1] CC(C)c1nc(cs1)CN(CCC#N)C[*:1]
CC(C)c1nc(CN(CCC#N)CC2CC2)cs1 CC(C)[*:1] N#CCCN(Cc1csc(n1)[*:1])CC1CC1
CC(C)c1nc(CN(CCC#N)CC2CC2)cs1 N#CCC[*:1] CC(C)c1nc(cs1)CN(CC1CC1)[*:1]
CC(C)c1nc(CN(CCC#N)CC2CC2)cs1 C1CC1C[*:1] CC(C)c1nc(cs1)CN(CCC#N)[*:1]
CC(C)c1nc(CN(CCC#N)CC2CC2)cs1 N#CC[*:1] CC(C)c1nc(cs1)CN(CC1CC1)C[*:1]
COc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1C)cn2C Cc1ccccc1[*:1] COc1ccc2c(c1)c(=O)c(cn2C)C(=O)N[*:1]
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)[C@H]1CCCN1S(=O)(=O)[*:1]
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@H]1CCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)[C@H]1CCCN1S(=O)(=O)c1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)NN=Cc2ccc(C(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1ccc(C=NNS(=O)(=O)[*:1])cc1
Cc1ccc(S(=O)(=O)NN=Cc2ccc(C(C)C)cc2)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)NN=Cc1ccc(cc1)[*:1]
C[C@H](c1cccc(O)c1)N(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] C[C@H](c1cccc(O)c1)N(C)C(=O)C[C@H](O)[*:1]
C[C@H](c1cccc(O)c1)N(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 Oc1cccc(c1)[*:1] C[C@H](N(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)[*:1]
Cc1cccc2[nH]c(C(=O)N3CC[C@H](c4nnc(-c5cnccn5)o4)C3)cc12 c1cnc(cn1)[*:1] Cc1cccc2[nH]c(cc12)C(=O)N1CC[C@@H](C1)c1nnc(o1)[*:1]
CNc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cs1 CNc1nc(cs1)[*:1] O=C(NC[*:1])Nc1ccc(cc1Cl)[N+](=O)[O-]
CNc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cs1 O=[N+]([O-])[*:1] CNc1nc(cs1)CNC(=O)Nc1ccc(cc1Cl)[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(Cl)cc1 O=C([O-])[*:1] C[C@H]1[C@@H](CCN1S(=O)(=O)c1ccc(Cl)cc1)[*:1]
O=C(NCCc1nnc2n1CCCCC2)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(NCCc1nnc2CCCCCn21)N[C@H](CO)[*:1]
CCNC(=O)c1nc(C(=O)NCc2ccc(F)c(Cl)c2)cs1 CCNC(=O)[*:1] O=C(NCc1ccc(F)c(Cl)c1)c1csc(n1)[*:1]
Cc1nn(CCCC(=O)Nc2ccc(F)cc2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CCCC(=O)Nc2ccc(F)cc2)c(C)c1[*:1]
Cc1nn(CCCC(=O)Nc2ccc(F)cc2)c(C)c1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1nn(CCCC(=O)N[*:1])c(C)c1[N+](=O)[O-]
O=C(CN1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1)N1CCCC1 C1CCC(C1)[*:1] O=C(CN1CCN(CC1)C(=O)Nc1ccc(cc1)S[*:1])N1CCCC1
O=C(CN1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1)N1CCCC1 C1CCC(C1)S[*:1] O=C(CN1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1])N1CCCC1
O=C(CN1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)SC1CCCC1)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(Nc1ccc(cc1)SC1CCCC1)N1CCN(CC1)[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)/C=C/c1ccc(cc1)[*:1]
Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)ccc1Br c1cc2CCCc2cc1[*:1] Cc1cc(ccc1Br)NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)ccc1Br Cc1cc(ccc1Br)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2CCCc2c1
O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1C[C@@H]2CCCC[C@H]2C1 O=C(N1CCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])N1C[C@@H]2CCCC[C@H]2C1
O=S(=O)(Nc1ccccc1CCC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] O=S(=O)(Nc1ccccc1C[*:1])c1ccc(F)cc1
O=S(=O)(Nc1ccccc1CCC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] O=S(=O)(Nc1ccccc1CC[*:1])c1ccc(F)cc1
O=S(=O)(Nc1ccccc1CCC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(Nc1ccccc1CCC(F)(F)F)[*:1]
O=S(=O)(Nc1ccccc1CCC(F)(F)F)c1ccc(F)cc1 FC(F)(F)CC[*:1] O=S(=O)(Nc1ccccc1[*:1])c1ccc(F)cc1
C[C@@H](Cc1cc(C(=O)N2CCCCC2)on1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1cc(on1)C(=O)N1CCCCC1)[*:1]
CC(=O)N1CCC(CCC(=O)Nc2cccc(-n3nnnc3C)c2)CC1 Cc1nnnn1[*:1] CC(=O)N1CCC(CCC(=O)Nc2cccc(c2)[*:1])CC1
C[C@H]1C[C@H](C)CCN1C(=O)c1ccco1 c1coc(c1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)[*:1]
COc1cc(NCc2n[nH]c(-c3ccccc3)n2)ncn1 c1ccc(cc1)[*:1] COc1cc(ncn1)NCc1n[nH]c(n1)[*:1]
N#CCN(CC#N)c1ncnc(Nc2ccc(Cl)cc2Cl)c1N N#CC[*:1] N#CCN(c1ncnc(Nc2ccc(Cl)cc2Cl)c1N)[*:1]
N#CCN(CC#N)c1ncnc(Nc2ccc(Cl)cc2Cl)c1N N#CCN(CC#N)[*:1] Nc1c(ncnc1[*:1])Nc1ccc(Cl)cc1Cl
COc1ccccc1/C=C/C(=O)N1CCN(Cc2cc(C)on2)CC1 Cc1cc(no1)[*:1] COc1ccccc1/C=C/C(=O)N1CCN(CC1)C[*:1]
COc1ccccc1/C=C/C(=O)N1CCN(Cc2cc(C)on2)CC1 COc1ccccc1[*:1] Cc1cc(CN2CCN(CC2)C(=O)C=C[*:1])no1
COc1ccccc1/C=C/C(=O)N1CCN(Cc2cc(C)on2)CC1 Cc1cc(C[*:1])no1 COc1ccccc1/C=C/C(=O)N1CCN(CC1)[*:1]
CC(C)OC(=O)Cn1c([C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nc2ccccc21 CC(C)OC(=O)[*:1] C[C@@H](c1ccccc1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
CC(C)OC(=O)Cn1c([C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nc2ccccc21 CC(C)OC(=O)C[*:1] C[C@@H](c1ccccc1)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
CC(C)OC(=O)Cn1c([C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nc2ccccc21 CC(C)[*:1] C[C@@H](c1ccccc1)N1C[C@H](CC1=O)c1nc2ccccc2n1CC(=O)O[*:1]
CC(C)OC(=O)Cn1c([C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nc2ccccc21 c1ccc(cc1)[*:1] CC(C)OC(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[C@@H](C)[*:1]
CC(C)OC(=O)Cn1c([C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nc2ccccc21 C[C@@H](c1ccccc1)[*:1] CC(C)OC(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
CCOC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CCN(C(=O)OC)C2 O=C1CCC(=O)N1[*:1] CCOC(=O)c1c(NC(=O)C[*:1])sc2CN(CCc21)C(=O)OC
CCOC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CCN(C(=O)OC)C2 O=C1CCC(=O)N1C[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)C(=O)OC
CCOC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CCN(C(=O)OC)C2 CCOC(=O)[*:1] COC(=O)N1CCc2c(C1)sc(NC(=O)CN1C(=O)CCC1=O)c2[*:1]
CC(C)CNC(=O)c1cccc(NC(=O)c2ccccc2)c1 CC(C)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)c1ccccc1
CC(C)CNC(=O)c1cccc(NC(=O)c2ccccc2)c1 CC(C)C[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])c1ccccc1
CC(C)CNC(=O)c1cccc(NC(=O)c2ccccc2)c1 CC(C)CNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1
CC(C)CNC(=O)c1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)CNC(=O)c1cccc(c1)NC(=O)[*:1]
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@@H](C)c3cccc(Cl)c3)C2=O)cc1 C[C@@H](c1cccc(Cl)c1)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N(C)[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@@H](C)c3cccc(Cl)c3)C2=O)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N(C)[C@@H](C)[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@@H](C)c3cccc(Cl)c3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1c([C@@H](C)[NH2+][C@H]2CC=CCC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])[C@@H](C)[NH2+][C@H]1CC=CCC1
Cc1ccc(C)c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 c1cc(cs1)[*:1] Cc1ccc(C)c(c1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1c(-c2ccn[nH]2)cnc2ncnn12 c1cc([nH]n1)[*:1] Cc1c(cnc2ncnn12)[*:1]
C/C(=C\c1cccc(Cl)c1)C[NH2+]C1CC1 C1CC1[*:1] C/C(=C\c1cccc(Cl)c1)C[NH2+][*:1]
CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 Cc1ccc(cc1)O[*:1] CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1csc(C[*:1])n1
CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 CC(=O)N[*:1] Cc1ccc(cc1)OCc1nc(cs1)CC(=O)Nc1cc(Br)ccc1[*:1]
CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1csc(CO[*:1])n1
CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 Cc1ccc(cc1)OC[*:1] CC(=O)Nc1ccc(Br)cc1NC(=O)Cc1csc(n1)[*:1]
C=CCCC[NH+](C)Cc1ccc(F)c(OC)c1 C=CC[*:1] COc1cc(ccc1F)C[NH+](C)CC[*:1]
C=CCCC[NH+](C)Cc1ccc(F)c(OC)c1 C=CCC[*:1] COc1cc(ccc1F)C[NH+](C)C[*:1]
C=CCCC[NH+](C)Cc1ccc(F)c(OC)c1 C=CCCC[*:1] COc1cc(ccc1F)C[NH+](C)[*:1]
CCc1ccc(C(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 CCc1ccc(cc1)[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)NNC(=O)[*:1]
C[C@@H](CCl)CS(=O)(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 C[C@@H]1C[C@@H]1[*:1] C[C@@H](CCl)CS(=O)(=O)N(C)Cc1ccc(o1)[*:1]
C[C@@H](CCl)CS(=O)(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 C[C@@H](CCl)[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)C[*:1])o1
C[C@@H](CCl)CS(=O)(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 C[C@@H](CCl)C[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)[*:1])o1
O=C(CSc1nnc(COc2ccccc2Cl)o1)NN1C(=O)NC2(CCCCC2)C1=O Clc1ccccc1OC[*:1] O=C(CSc1nnc(o1)[*:1])NN1C(=O)NC2(CCCCC2)C1=O
O=C(CSc1nnc(COc2ccccc2Cl)o1)NN1C(=O)NC2(CCCCC2)C1=O Clc1ccccc1O[*:1] O=C(CSc1nnc(C[*:1])o1)NN1C(=O)NC2(CCCCC2)C1=O
O=C(CSc1nnc(COc2ccccc2Cl)o1)NN1C(=O)NC2(CCCCC2)C1=O Clc1ccccc1[*:1] O=C(CSc1nnc(CO[*:1])o1)NN1C(=O)NC2(CCCCC2)C1=O
CN(Cc1cc(=O)n2ccsc2[nH+]1)Cc1cccs1 c1csc(c1)[*:1] CN(Cc1cc(=O)n2ccsc2[nH+]1)C[*:1]
CN(Cc1cc(=O)n2ccsc2[nH+]1)Cc1cccs1 c1csc(c1)C[*:1] CN(Cc1cc(=O)n2ccsc2[nH+]1)[*:1]
CCOC(=O)/C([O-])=C(/C)C(=O)c1ccc(C(F)(F)F)cc1 CCOC(=O)[*:1] C/C(C(=O)c1ccc(cc1)C(F)(F)F)=C(\[O-])[*:1]
CCOC(=O)/C([O-])=C(/C)C(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCOC(=O)/C([O-])=C(/C)C(=O)c1ccc(cc1)[*:1]
CCNc1cc[nH+]c(CSCCOC)c1 COC[*:1] CCNc1cc[nH+]c(c1)CSC[*:1]
CCNc1cc[nH+]c(CSCCOC)c1 COCC[*:1] CCNc1cc[nH+]c(c1)CS[*:1]
CCNc1cc[nH+]c(CSCCOC)c1 COCCS[*:1] CCNc1cc[nH+]c(c1)C[*:1]
CCNc1cc[nH+]c(CSCCOC)c1 CCN[*:1] COCCSCc1cc(cc[nH+]1)[*:1]
Cc1cc(C)n(-c2nc(CCNC(=O)[C@H](C)Oc3ccccc3)cs2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1nc(cs1)CCNC(=O)[C@H](C)O[*:1]
Cc1cc(C)n(-c2nc(CCNC(=O)[C@H](C)Oc3ccccc3)cs2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](Oc1ccccc1)C(=O)NCCc1csc(n1)[*:1]
Cc1cc(C)n(-c2nc(CCNC(=O)[C@H](C)Oc3ccccc3)cs2)n1 c1ccc(cc1)O[*:1] Cc1cc(C)n(n1)-c1nc(cs1)CCNC(=O)[C@H](C)[*:1]
Cc1cccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)n1 Cc1cccc(n1)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)N[*:1]
CC1=C(C(=O)Nc2ncccc2C)[C@@H](c2c(F)cccc2Cl)C2=C(CCCC2=O)N1 Fc1cccc(Cl)c1[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)Nc1ncccc1C)[*:1]
CC1=C(C(=O)Nc2ncccc2C)[C@@H](c2c(F)cccc2Cl)C2=C(CCCC2=O)N1 Cc1cccnc1[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)N[*:1])c1c(F)cccc1Cl
CC1=C(C(=O)Nc2ncccc2C)[C@@H](c2c(F)cccc2Cl)C2=C(CCCC2=O)N1 Cc1cccnc1NC(=O)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1[*:1])c1c(F)cccc1Cl
Cc1ccc(NC(N)=[NH2+])cc1Cl NC(=[NH2+])N[*:1] Cc1ccc(cc1Cl)[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)NC2CCCCCC2)cc1 C1CCCC(CC1)[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)N[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)NC2CCCCCC2)cc1 COc1ccccc1[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])NC1CCCCCC1
COc1ccc(Br)cc1NC(=O)CS(=O)(=O)C(C)C CC(C)S(=O)(=O)[*:1] COc1ccc(Br)cc1NC(=O)C[*:1]
COc1ccc(Br)cc1NC(=O)CS(=O)(=O)C(C)C CC(C)[*:1] COc1ccc(Br)cc1NC(=O)CS(=O)(=O)[*:1]
Cc1cc(NC(=O)CC2=CCCCC2)n([C@@H]2CCS(=O)(=O)C2)n1 O=S1(=O)CC[C@H](C1)[*:1] Cc1cc(NC(=O)CC2=CCCCC2)n(n1)[*:1]
O=S1(=O)N=C(CN(CCO)CC(F)(F)F)Nc2ccccc21 OCC[*:1] O=S1(=O)N=C(CN(CC(F)(F)F)[*:1])Nc2ccccc21
O=S1(=O)N=C(CN(CCO)CC(F)(F)F)Nc2ccccc21 FC(F)(F)C[*:1] O=S1(=O)N=C(CN(CCO)[*:1])Nc2ccccc21
O=S1(=O)N=C(CN(CCO)CC(F)(F)F)Nc2ccccc21 FC(F)(F)[*:1] O=S1(=O)N=C(CN(CCO)C[*:1])Nc2ccccc21
C/C(CC(C)C)=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 CC(C)C[*:1] CC(=NNC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
C/C(CC(C)C)=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C(CC(C)C)=N\NC(=O)c1ccc(Cl)c(c1)[*:1]
C/C(CC(C)C)=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 CC(C)[*:1] C/C(C[*:1])=N\NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-]
CC(C)(CNC(=O)NNC(=O)CCc1ccccc1)c1ccncc1 c1ccc(cc1)CC[*:1] CC(C)(CNC(=O)NNC(=O)[*:1])c1ccncc1
CC(C)(CNC(=O)NNC(=O)CCc1ccccc1)c1ccncc1 c1ccc(cc1)C[*:1] CC(C)(CNC(=O)NNC(=O)C[*:1])c1ccncc1
CC(C)(CNC(=O)NNC(=O)CCc1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)NNC(=O)CC[*:1])c1ccncc1
CC(C)(CNC(=O)NNC(=O)CCc1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)NNC(=O)CCc1ccccc1)[*:1]
C/[NH+]=C(/NCc1cccc(C(N)=O)c1)N[C@@H]1C[C@@H]1C NC(=O)[*:1] C/[NH+]=C(/NCc1cccc(c1)[*:1])N[C@@H]1C[C@@H]1C
O=C(CSc1ccnc2ccccc12)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(CSc1ccnc2ccccc12)Nc1cccc(c1)[*:1]
CCCC(=O)C1=C(Nc2ccc(Cl)cc2Cl)CC(C)(C)[C@@H](C(=O)OC)C1=O CCCC(=O)[*:1] COC(=O)[C@H]1C(=O)C(=C(CC1(C)C)Nc1ccc(Cl)cc1Cl)[*:1]
CCCC(=O)C1=C(Nc2ccc(Cl)cc2Cl)CC(C)(C)[C@@H](C(=O)OC)C1=O COC(=O)[*:1] CCCC(=O)C1C(=O)[C@H](C(C)(C)CC=1Nc1ccc(Cl)cc1Cl)[*:1]
CCCC(=O)C1=C(Nc2ccc(Cl)cc2Cl)CC(C)(C)[C@@H](C(=O)OC)C1=O CCC[*:1] COC(=O)[C@H]1C(=O)C(C(=O)[*:1])=C(CC1(C)C)Nc1ccc(Cl)cc1Cl
CCCC(=O)C1=C(Nc2ccc(Cl)cc2Cl)CC(C)(C)[C@@H](C(=O)OC)C1=O Clc1ccc(c(Cl)c1)[*:1] CCCC(=O)C1C(=O)[C@H](C(=O)OC)C(C)(C)CC=1N[*:1]
CCCC(=O)C1=C(Nc2ccc(Cl)cc2Cl)CC(C)(C)[C@@H](C(=O)OC)C1=O Clc1ccc(N[*:1])c(Cl)c1 CCCC(=O)C1C(=O)[C@H](C(=O)OC)C(C)(C)CC=1[*:1]
COCc1nc(C)cc(Sc2nnc(Nc3cccc(F)c3)s2)n1 Fc1cccc(c1)N[*:1] COCc1nc(C)cc(n1)Sc1nnc(s1)[*:1]
COCc1nc(C)cc(Sc2nnc(Nc3cccc(F)c3)s2)n1 Fc1cccc(c1)[*:1] COCc1nc(C)cc(n1)Sc1nnc(N[*:1])s1
COCc1nc(C)cc(Sc2nnc(Nc3cccc(F)c3)s2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])Sc1nnc(Nc2cccc(F)c2)s1
O=C([O-])c1cc(OCc2ccc(F)cc2)cs1 O=C([O-])[*:1] Fc1ccc(cc1)COc1csc(c1)[*:1]
C[C@H](NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C)[*:1]
C[C@H](NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C)c1ccccc1 Brc1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nnc(n1C)[*:1])c1ccccc1
C[C@H](NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C)c1ccccc1 C[C@H](c1ccccc1)[*:1] Cn1c(nnc1-c1ccc(Br)cc1)SCC(=O)N[*:1]
CC(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)(c2ccccc2)CC1 Cc1ccc(cc1Cl)[*:1] CC(=O)N1CCC(CC1)(C(=O)N[*:1])c1ccccc1
CC(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)(C(=O)Nc1ccc(C)c(Cl)c1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)Cc2c(OC)ccc3cc(Br)ccc23)C1 CCOC(=O)[*:1] COc1ccc2cc(Br)ccc2c1CC(=O)N1CCC[C@H](C1)[*:1]
CN(C(=O)COC(=O)c1ccccc1Br)C1CCCCC1 Brc1ccccc1[*:1] CN(C(=O)COC(=O)[*:1])C1CCCCC1
CN(C(=O)COC(=O)c1ccccc1Br)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)COC(=O)c1ccccc1Br)[*:1]
C=CCN(C(=O)[C@H]1C=C(c2ccc(C)s2)N=N1)[C@H]1CCS(=O)(=O)C1 C=CC[*:1] Cc1ccc(s1)C1=C[C@@H](N=N1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
C=CCN(C(=O)[C@H]1C=C(c2ccc(C)s2)N=N1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C=CCN(C(=O)[C@H]1C=C(N=N1)c1ccc(C)s1)[*:1]
C=CCN(C(=O)[C@H]1C=C(c2ccc(C)s2)N=N1)[C@H]1CCS(=O)(=O)C1 Cc1ccc(s1)[*:1] C=CCN(C(=O)[C@H]1C=C(N=N1)[*:1])[C@H]1CCS(=O)(=O)C1
O=C([O-])c1cccc2c1cc(Br)c1ccccc12 O=C([O-])[*:1] Brc1cc2c(cccc2c2ccccc12)[*:1]
CCCN[C@H](c1nc(C)cs1)c1cncn1C1CC1 C1CC1[*:1] CCCN[C@H](c1nc(C)cs1)c1cncn1[*:1]
CCCN[C@H](c1nc(C)cs1)c1cncn1C1CC1 CCCN[*:1] Cc1csc(n1)[C@H](c1cncn1C1CC1)[*:1]
CCCN[C@H](c1nc(C)cs1)c1cncn1C1CC1 CCC[*:1] Cc1csc(n1)[C@@H](N[*:1])c1cncn1C1CC1
CCCN[C@H](c1nc(C)cs1)c1cncn1C1CC1 Cc1csc(n1)[*:1] CCCN[C@H](c1cncn1C1CC1)[*:1]
COc1ccc2nc(SCC(=O)N[C@H](c3ccccc3)c3cccs3)[nH]c2c1 c1csc(c1)[*:1] COc1ccc2nc([nH]c2c1)SCC(=O)N[C@H](c1ccccc1)[*:1]
COc1ccc2nc(SCC(=O)N[C@H](c3ccccc3)c3cccs3)[nH]c2c1 c1ccc(cc1)[*:1] COc1ccc2nc([nH]c2c1)SCC(=O)N[C@H](c1cccs1)[*:1]
CCOC(=O)CCN(C)Cc1cccc(Cl)n1 CCOC(=O)[*:1] CN(CC[*:1])Cc1cccc(Cl)n1
Cc1c(CNC(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cnn1C Cc1c(cnn1C)C[*:1] O=C(Nc1ccc(c(F)c1)N1CCCC1=O)N[*:1]
Cc1c(CNC(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cnn1C Cc1c(cnn1C)[*:1] O=C(NC[*:1])Nc1ccc(c(F)c1)N1CCCC1=O
Cc1c(CNC(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cnn1C O=C1CCCN1[*:1] Cc1c(cnn1C)CNC(=O)Nc1ccc(c(F)c1)[*:1]
Cc1ncc(CN(C)c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)s1 CC(C)(C)[*:1] Cc1ncc(CN(C)c2nc3c(cnn3[*:1])c(=O)[nH]2)s1
Cc1ncc(CN(C)c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)s1 Cc1ncc(C[*:1])s1 CN(c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)[*:1]
Cc1ncc(CN(C)c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)s1 Cc1ncc(s1)[*:1] CN(C[*:1])c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
CN1CCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2cccs2)CC1 C(=C[*:1])c1cccs1 CN1CCN(CC1)C(=O)[C@H]1CCCN1C(=O)[*:1]
CN1CCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2cccs2)CC1 c1csc(c1)[*:1] CN1CCN(CC1)C(=O)[C@H]1CCCN1C(=O)C=C[*:1]
N#CCCCn1ccc(NC(=O)Cc2cccs2)n1 N#CCCC[*:1] O=C(Cc1cccs1)Nc1ccn(n1)[*:1]
N#CCCCn1ccc(NC(=O)Cc2cccs2)n1 N#CCC[*:1] O=C(Cc1cccs1)Nc1ccn(C[*:1])n1
N#CCCCn1ccc(NC(=O)Cc2cccs2)n1 c1csc(c1)C[*:1] N#CCCCn1ccc(n1)NC(=O)[*:1]
N#CCCCn1ccc(NC(=O)Cc2cccs2)n1 N#CC[*:1] O=C(Cc1cccs1)Nc1ccn(CC[*:1])n1
N#CCCCn1ccc(NC(=O)Cc2cccs2)n1 c1csc(c1)[*:1] N#CCCCn1ccc(n1)NC(=O)C[*:1]
CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccccc1Br Brc1ccccc1[*:1] CN(Cc1ccccc1N1CCCC1)S(=O)(=O)[*:1]
CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccccc1Br C1CCN(C1)[*:1] CN(Cc1ccccc1[*:1])S(=O)(=O)c1ccccc1Br
O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)N1CCOC[C@H]1C1CC1 C1CO[C@H](C1)[*:1] O=C(Nc1ccc(cc1)OC[*:1])N1CCOC[C@H]1C1CC1
O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(Nc1ccc(cc1)OC[C@H]1CCCO1)N1CCOC[C@@H]1[*:1]
O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)N1CCOC[C@H]1C1CC1 C1CO[C@H](C1)C[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CCOC[C@H]1C1CC1
O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)N1CCOC[C@H]1C1CC1 C1CO[C@H](C1)CO[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCOC[C@H]1C1CC1
CCOC(=O)c1cnc2ccc(Br)cc2c1N(C)C CCOC(=O)[*:1] CN(C)c1c(cnc2ccc(Br)cc12)[*:1]
CCOC(=O)c1cnc2ccc(Br)cc2c1N(C)C CN(C)[*:1] CCOC(=O)c1cnc2ccc(Br)cc2c1[*:1]
COCc1ccccc1C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 COC[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)c1ccccc1[*:1]
COCc1ccccc1C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] COCc1ccccc1C(=O)N1CCN(CC1)[C@H](C)[*:1]
Cc1nsc(N(C)C(=O)[C@H]2CCOC2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(c1[*:1])N(C)C(=O)[C@H]1CCOC1
Cc1nsc(N(C)C(=O)[C@H]2CCOC2)c1C(=O)[O-] C1C[C@@H](CO1)[*:1] Cc1nsc(c1C(=O)[O-])N(C)C(=O)[*:1]
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@]4(C)CC[C@H]32)C1 CC(=O)[*:1] CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@]4(C)CC[C@H]32)[*:1])C1
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@]4(C)CC[C@H]32)C1 CC(=O)O[*:1] CC(=O)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@H](CC[C@]4(C)[C@@H]3CC[C@@]12C)[*:1]
C=CCN1C(=O)/C(=C2/C[C@H](c3ccc4c(c3)OCO4)N(c3ccccc3)N2)C(=O)N=C1[O-] c1ccc(cc1)[*:1] C=CCN1C(=O)/C(C(=O)N=C1[O-])=C1/C[C@H](c2ccc3OCOc3c2)N(N1)[*:1]
C=CCN1C(=O)/C(=C2/C[C@H](c3ccc4c(c3)OCO4)N(c3ccccc3)N2)C(=O)N=C1[O-] C=CC[*:1] O=C1N=C([O-])N(C(=O)/C1=C1/C[C@H](c2ccc3OCOc3c2)N(N1)c1ccccc1)[*:1]
C=CCN1C(=O)/C(=C2/C[C@H](c3ccc4c(c3)OCO4)N(c3ccccc3)N2)C(=O)N=C1[O-] c1cc2OCOc2cc1[*:1] C=CCN1C(=O)/C(C(=O)N=C1[O-])=C1/C[C@H](N(N1)c1ccccc1)[*:1]
Cc1c(NC(=O)CSc2nc3ccccc3n2CCC#N)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)CSc2nc3ccccc3n2CCC#N)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)CSc2nc3ccccc3n2CCC#N)c(=O)n(-c2ccccc2)n1C N#CCC[*:1] Cc1c(NC(=O)CSc2nc3ccccc3n2[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)CSc2nc3ccccc3n2CCC#N)c(=O)n(-c2ccccc2)n1C N#CC[*:1] Cc1c(NC(=O)CSc2nc3ccccc3n2C[*:1])c(=O)n(-c2ccccc2)n1C
Cn1cc(N2Cc3nc(N4CCCC4)ncc3C2=O)cn1 C1CCN(C1)[*:1] Cn1cc(cn1)N1Cc2nc(ncc2C1=O)[*:1]
Cn1cc(N2Cc3nc(N4CCCC4)ncc3C2=O)cn1 Cn1cc(cn1)[*:1] O=C1c2cnc(nc2CN1[*:1])N1CCCC1
C=C(C(=O)Cl)C(F)(F)F O=C(Cl)[*:1] C=C(C(F)(F)F)[*:1]
CCOc1cccc(NC(=O)N(C)C[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] CCOc1cccc(c1)NC(=O)N(C)C[*:1]
CCOc1cccc(NC(=O)N(C)C[C@@H]2CCOC2)c1 CCO[*:1] CN(C[C@@H]1CCOC1)C(=O)Nc1cccc(c1)[*:1]
O=C1OCCCN1CC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F O=C1OCCCN1C[*:1] O=C(N1C[C@H](O)C[C@H]1c1cc(F)ccc1F)[*:1]
O=C1OCCCN1CC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C1OCCCN1CC(=O)N1C[C@H](O)C[C@@H]1[*:1]
O=C1OCCCN1CC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F O=C1OCCCN1[*:1] O=C(C[*:1])N1C[C@H](O)C[C@H]1c1cc(F)ccc1F
CCCCOCC(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C CCCC[*:1] CO[C@]1(C)C[C@@H](NC(=O)CO[*:1])C1(C)C
CCCCOCC(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C CCC[*:1] CO[C@]1(C)C[C@@H](NC(=O)COC[*:1])C1(C)C
CCCCOCC(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C CCCCOC[*:1] CO[C@]1(C)C[C@@H](NC(=O)[*:1])C1(C)C
CCCCOCC(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C CCCCO[*:1] CO[C@]1(C)C[C@@H](NC(=O)C[*:1])C1(C)C
Cc1ccc2[nH+]c(C(=O)[O-])cc(N3CCOCC3)c2c1 C1CN(CCO1)[*:1] Cc1ccc2[nH+]c(cc(c2c1)[*:1])C(=O)[O-]
Cc1ccc2[nH+]c(C(=O)[O-])cc(N3CCOCC3)c2c1 O=C([O-])[*:1] Cc1ccc2[nH+]c(cc(c2c1)N1CCOCC1)[*:1]
CCc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)CN(S(=O)(=O)c1cccn2c(C)nnc12)[*:1]
CCc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 Cc1ccc(cc1)C[*:1] CCc1ccc(cc1)N(S(=O)(=O)c1cccn2c(C)nnc12)[*:1]
CCc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)N(C[*:1])S(=O)(=O)c1cccn2c(C)nnc12
COC(=O)c1ccc(CN(C)Cc2ncc(C)o2)cc1 COC(=O)[*:1] Cc1cnc(CN(C)Cc2ccc(cc2)[*:1])o1
COC(=O)c1ccc(CN(C)Cc2ncc(C)o2)cc1 Cc1cnc(o1)[*:1] COC(=O)c1ccc(cc1)CN(C)C[*:1]
Cc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 Cc1ccc(cc1)C[*:1] Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[*:1])c(C)c3cc12
Cc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 Cc1ccc(cc1)[*:1] Cc1coc2c(C)c3oc(=O)c(CCC(=O)NC[*:1])c(C)c3cc12
CCN(CCC(F)(F)F)C(=O)c1c(C)n(CC)c2ccc(OC)cc12 FC(F)(F)[*:1] CCN(CC[*:1])C(=O)c1c(C)n(CC)c2ccc(cc12)OC
CCN(CCC(F)(F)F)C(=O)c1c(C)n(CC)c2ccc(OC)cc12 FC(F)(F)C[*:1] CCN(C[*:1])C(=O)c1c(C)n(CC)c2ccc(cc12)OC
CCN(CCC(F)(F)F)C(=O)c1c(C)n(CC)c2ccc(OC)cc12 FC(F)(F)CC[*:1] CCN(C(=O)c1c(C)n(CC)c2ccc(cc12)OC)[*:1]
CC[C@@H](C)C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 CC[C@@H](C)C(=O)N[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)C[*:1]
CC[C@@H](C)C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 CC[C@@H](C)C(=O)NC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)[*:1]
CC[C@@H](C)C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 CC[C@@H](C)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)CNC(=O)[*:1]
COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)C(=O)Nc2ccccc2F)C1 Fc1ccc(cc1)[*:1] COc1ccccc1C1C[C@H](CN(C[*:1])C(=O)Nc2ccccc2F)ON=1
COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)C(=O)Nc2ccccc2F)C1 Fc1ccccc1[*:1] COc1ccccc1C1C[C@H](CN(Cc2ccc(F)cc2)C(=O)N[*:1])ON=1
COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)C(=O)Nc2ccccc2F)C1 Fc1ccc(cc1)C[*:1] COc1ccccc1C1C[C@H](CN(C(=O)Nc2ccccc2F)[*:1])ON=1
COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)C(=O)Nc2ccccc2F)C1 COc1ccccc1[*:1] O=C(Nc1ccccc1F)N(Cc1ccc(F)cc1)C[C@H]1CC(=NO1)[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ccsc2)c1 CC(=O)[*:1] C[C@H](Oc1cccc(c1)[*:1])C(=O)N1CCC[C@@H]1c1ccsc1
CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ccsc2)c1 c1cc(cs1)[*:1] CC(=O)c1cccc(c1)O[C@@H](C)C(=O)N1CCC[C@H]1[*:1]
Cc1cccc2c1N(Cc1ccc(Cl)cc1)C(=O)C21OCCCO1 Clc1ccc(cc1)C[*:1] Cc1cccc2c1N(C(=O)C21OCCCO1)[*:1]
Cc1cccc2c1N(Cc1ccc(Cl)cc1)C(=O)C21OCCCO1 Clc1ccc(cc1)[*:1] Cc1cccc2c1N(C[*:1])C(=O)C21OCCCO1
CC[C@](C)([C@H](NC)c1ccc(C)s1)[NH+]1CCCC1 Cc1ccc(s1)[*:1] CC[C@](C)([C@H](NC)[*:1])[NH+]1CCCC1
CC[C@@H](C)[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]1C C[C@H]1C[C@H]1[*:1] CC[C@@H](C)[C@H](NC(N)=O)C(=O)N[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]1C CC[C@@H](C)[*:1] C[C@H]1C[C@H]1NC(=O)[C@@H](NC(N)=O)[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]1C NC(=O)N[*:1] CC[C@@H](C)[C@H](C(=O)N[C@@H]1C[C@@H]1C)[*:1]
CC[C@@H](NC(=O)N[C@@H]1CCC[C@@H]1CO)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)N[C@@H]1CCC[C@@H]1CO)[*:1]
O=[N+]([O-])c1ccc(C[NH+](Cc2ccc(O)cc2)Cc2ccco2)o1 Oc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(C[NH+](Cc2ccco2)C[*:1])o1
O=[N+]([O-])c1ccc(C[NH+](Cc2ccc(O)cc2)Cc2ccco2)o1 c1coc(c1)C[*:1] O=[N+]([O-])c1ccc(C[NH+](Cc2ccc(O)cc2)[*:1])o1
O=[N+]([O-])c1ccc(C[NH+](Cc2ccc(O)cc2)Cc2ccco2)o1 O=[N+]([O-])[*:1] Oc1ccc(cc1)C[NH+](Cc1ccco1)Cc1ccc(o1)[*:1]
O=[N+]([O-])c1ccc(C[NH+](Cc2ccc(O)cc2)Cc2ccco2)o1 O=[N+]([O-])c1ccc(o1)[*:1] Oc1ccc(cc1)C[NH+](Cc1ccco1)C[*:1]
O=[N+]([O-])c1ccc(C[NH+](Cc2ccc(O)cc2)Cc2ccco2)o1 c1coc(c1)[*:1] O=[N+]([O-])c1ccc(C[NH+](Cc2ccc(O)cc2)C[*:1])o1
O=[N+]([O-])c1ccc(C[NH+](Cc2ccc(O)cc2)Cc2ccco2)o1 Oc1ccc(cc1)C[*:1] O=[N+]([O-])c1ccc(C[NH+](Cc2ccco2)[*:1])o1
CCCCc1nnc(SCC(=O)N(C)C2CC2)n1N CCC[*:1] CN(C(=O)CSc1nnc(C[*:1])n1N)C1CC1
CCCCc1nnc(SCC(=O)N(C)C2CC2)n1N CCCC[*:1] CN(C(=O)CSc1nnc(n1N)[*:1])C1CC1
CCCCc1nnc(SCC(=O)N(C)C2CC2)n1N C1CC1[*:1] CCCCc1nnc(SCC(=O)N(C)[*:1])n1N
CCNc1nc(C)nc(OCC)n1 CCN[*:1] CCOc1nc(C)nc(n1)[*:1]
CCNc1nc(C)nc(OCC)n1 CCO[*:1] CCNc1nc(C)nc(n1)[*:1]
NC(=S)c1ccc(OCCC[NH+]2CCCC2)cc1 NC(=S)[*:1] c1cc(ccc1OCCC[NH+]1CCCC1)[*:1]
Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc2c(c1)OCO2 O=C(C[*:1])c1ccccc1 Nc1ccccc1S[C@@H](c1ccc2OCOc2c1)[*:1]
Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc2c(c1)OCO2 Nc1ccccc1S[*:1] O=C(C[C@@H](c1ccc2OCOc2c1)[*:1])c1ccccc1
Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] Nc1ccccc1S[C@@H](CC(=O)[*:1])c1ccc2OCOc2c1
Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc2c(c1)OCO2 O=C(c1ccccc1)[*:1] Nc1ccccc1S[C@@H](C[*:1])c1ccc2OCOc2c1
Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc2c(c1)OCO2 Nc1ccccc1[*:1] O=C(C[C@H](S[*:1])c1ccc2OCOc2c1)c1ccccc1
Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)[*:1]
Cc1ccc2nc(NC(=O)N[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)N[*:1]
Cc1ccc2nc(NC(=O)N[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)sc2c1 c1cc2OCCOc2cc1[*:1] Cc1ccc2nc(NC(=O)N[C@@H]3CC(=O)N(C3)[*:1])sc2c1
CCCOc1ccc(C=O)c(OCc2nccs2)c1 CCCO[*:1] O=Cc1ccc(cc1OCc1nccs1)[*:1]
CCCOc1ccc(C=O)c(OCc2nccs2)c1 c1csc(n1)[*:1] CCCOc1ccc(C=O)c(c1)OC[*:1]
CCCOc1ccc(C=O)c(OCc2nccs2)c1 CCC[*:1] O=Cc1ccc(cc1OCc1nccs1)O[*:1]
CCCOc1ccc(C=O)c(OCc2nccs2)c1 c1csc(C[*:1])n1 CCCOc1ccc(C=O)c(c1)O[*:1]
CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4cccs4)nc3c1[C@H]2c1cccnc1 c1cncc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(nc3c1[C@@H]2[*:1])-c1cccs1
CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4cccs4)nc3c1[C@H]2c1cccnc1 c1csc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(nc3c1[C@H]2c1cccnc1)[*:1]
Cc1nn(C)c(=O)c(C(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)c1C O=C([O-])[*:1] Cc1nn(C)c(=O)c(C(=O)N[C@H]2C=C[C@H](C2)[*:1])c1C
C[NH+](C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1 Oc1cccc(c1)[*:1] C[NH+](C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3OCCOc3c2)[C@@H]1[*:1]
C[NH+](C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1 c1cc2OCCOc2cc1[*:1] C[NH+](C)CCCN1C(=O)C(=O)/C(=C(/O)[*:1])[C@H]1c1cccc(O)c1
Cc1c(C(=O)N2CCC(C(=O)NC3CC3)CC2)oc2ccc(Br)cc12 O=C(NC1CC1)[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)N1CCC(CC1)[*:1]
Cc1c(C(=O)N2CCC(C(=O)NC3CC3)CC2)oc2ccc(Br)cc12 C1CC1[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)N1CCC(CC1)C(=O)N[*:1]
COC(=O)[C@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H](C(C)C)N1 CC(C)[*:1] COC(=O)[C@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H](N1)[*:1]
COC(=O)[C@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H](C(C)C)N1 COC(=O)[*:1] CC(C)[C@@H]1N[C@H](CC2=c3ccccc3=[NH+][C@@H]21)[*:1]
Cc1cc(S(N)(=O)=O)cc(NC(=O)COc2ccc(Cl)c(Cl)c2)c1C Clc1ccc(cc1Cl)[*:1] Cc1cc(cc(NC(=O)CO[*:1])c1C)S(N)(=O)=O
Cc1cc(S(N)(=O)=O)cc(NC(=O)COc2ccc(Cl)c(Cl)c2)c1C NS(=O)(=O)[*:1] Cc1cc(cc(NC(=O)COc2ccc(Cl)c(Cl)c2)c1C)[*:1]
CCc1ccc(C2=CCN(C(=O)c3cc(C)[nH]c(=O)n3)CC2)cc1 Cc1cc(nc(=O)[nH]1)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)[*:1]
CCc1ccc(C2=CCN(C(=O)c3cc(C)[nH]c(=O)n3)CC2)cc1 CCc1ccc(cc1)[*:1] Cc1cc(nc(=O)[nH]1)C(=O)N1CC=C(CC1)[*:1]
Cc1ccccc1CCC(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C Cc1ccccc1C[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)N1CCOCC1
Cc1ccccc1CCC(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C O=C(N1CCOCC1)[*:1] Cc1ccccc1CCC(=O)N[C@@H](C(C)C)[*:1]
Cc1ccccc1CCC(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)CC[*:1])C(=O)N1CCOCC1
Cc1ccccc1CCC(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C CC(C)[*:1] Cc1ccccc1CCC(=O)N[C@@H](C(=O)N1CCOCC1)[*:1]
CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)CCC2CC2)CC1 C1CC1CC[*:1] CC(C)[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)CCC2CC2)CC1 CC(C)[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)CCC1CC1)[*:1]
CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)CCC2CC2)CC1 C1CC1C[*:1] CC(C)[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)C[*:1]
CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)CCC2CC2)CC1 C1CC1[*:1] CC(C)[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)CC[*:1]
CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)CCC2CC2)CC1 CC(C)[C@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)CCC1CC1
Cc1c([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)oc2ccccc12 C1CC1[*:1] Cc1c(oc2ccccc12)[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1]
COC(=O)c1ccc(N2CCN(c3ccccc3Cl)CC2)[nH+]c1 Clc1ccccc1[*:1] COC(=O)c1ccc([nH+]c1)N1CCN(CC1)[*:1]
COC(=O)c1ccc(N2CCN(c3ccccc3Cl)CC2)[nH+]c1 COC(=O)[*:1] Clc1ccccc1N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
O=C1c2cccnc2[C@@H](Nc2ccc(Br)cc2)N1Cc1cccs1 Brc1ccc(cc1)N[*:1] O=C1c2cccnc2[C@@H](N1Cc1cccs1)[*:1]
O=C1c2cccnc2[C@@H](Nc2ccc(Br)cc2)N1Cc1cccs1 c1csc(c1)[*:1] O=C1c2cccnc2[C@@H](Nc2ccc(Br)cc2)N1C[*:1]
O=C1c2cccnc2[C@@H](Nc2ccc(Br)cc2)N1Cc1cccs1 c1csc(c1)C[*:1] O=C1c2cccnc2[C@@H](Nc2ccc(Br)cc2)N1[*:1]
O=C1c2cccnc2[C@@H](Nc2ccc(Br)cc2)N1Cc1cccs1 Brc1ccc(cc1)[*:1] O=C1c2cccnc2[C@@H](N[*:1])N1Cc1cccs1
COc1ccc([C@@H](CC(=O)N(C)Cc2ccc(O)cc2)NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@@H](CC(=O)N(C)Cc1ccc(O)cc1)[*:1]
COc1ccc([C@@H](CC(=O)N(C)Cc2ccc(O)cc2)NC(C)=O)cc1 Oc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H](CC(=O)N(C)[*:1])NC(C)=O
COc1ccc([C@@H](CC(=O)N(C)Cc2ccc(O)cc2)NC(C)=O)cc1 Oc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](CC(=O)N(C)C[*:1])NC(C)=O
COc1ccc([C@@H](CC(=O)N(C)Cc2ccc(O)cc2)NC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(O)cc1)[*:1]
CCC[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 CCC[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2[*:1]
C/C=C(/C)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C C/C=C(/C)C(=O)N[*:1] CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[*:1]
C/C=C(/C)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C CC(C)(C)[*:1] C/C=C(/C)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)O[*:1]
C/C=C(/C)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C CC=C(C)[*:1] CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)[*:1]
C[C@@H](O)CCNc1cc(Cl)ncn1 C[C@@H](O)[*:1] Clc1cc(ncn1)NCC[*:1]
C[C@@H](O)CCNc1cc(Cl)ncn1 C[C@@H](O)C[*:1] Clc1cc(ncn1)NC[*:1]
Cc1cccc(C)c1-n1nnnc1S[C@@H](C)C(=O)Nc1nc(C)c(C)s1 Cc1cccc(C)c1[*:1] Cc1nc(NC(=O)[C@H](C)Sc2nnnn2[*:1])sc1C
Cc1cccc(C)c1-n1nnnc1S[C@@H](C)C(=O)Nc1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] Cc1cccc(C)c1-n1nnnc1S[C@@H](C)C(=O)N[*:1]
COC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc12 COC(=O)C[*:1] O=C(N[*:1])c1cc(=O)[nH]c2ccccc12
COC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc12 COC(=O)[*:1] O=C(NC[*:1])c1cc(=O)[nH]c2ccccc12
O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)OCCCO2 Clc1cccc(c1)[*:1] O=C(N[*:1])N1CCC2(CC1)OCCCO2
C[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C1 Cn1cc(cn1)[*:1] C[C@H]1CCN(C(=O)N[C@@H]2CCN(C2=O)[*:1])[C@H](C)C1
Cc1nnc2ccc(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3)cn12 Fc1cccc(F)c1[*:1] Cc1nnc2ccc(cn12)C(=O)N[C@@H]1CCN(C1)[*:1]
COc1ccc(-c2nnc(SCCCC(C)=O)n2C)cc1 CC(=O)CCCS[*:1] COc1ccc(cc1)-c1nnc(n1C)[*:1]
COc1ccc(-c2nnc(SCCCC(C)=O)n2C)cc1 CC(=O)CC[*:1] COc1ccc(cc1)-c1nnc(SC[*:1])n1C
COc1ccc(-c2nnc(SCCCC(C)=O)n2C)cc1 CC(=O)CCC[*:1] COc1ccc(cc1)-c1nnc(S[*:1])n1C
COc1ccc(-c2nnc(SCCCC(C)=O)n2C)cc1 CC(=O)C[*:1] COc1ccc(cc1)-c1nnc(SCC[*:1])n1C
COc1ccc(-c2nnc(SCCCC(C)=O)n2C)cc1 CC(=O)[*:1] COc1ccc(cc1)-c1nnc(SCCC[*:1])n1C
Cc1nn2c(ncc3c(=O)n(Cc4ccc(Cl)cc4)ccc32)c1-c1ccccc1 Clc1ccc(cc1)[*:1] Cc1nn2c(ncc3c(=O)n(ccc32)C[*:1])c1-c1ccccc1
Cc1nn2c(ncc3c(=O)n(Cc4ccc(Cl)cc4)ccc32)c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn2c(ncc3c(=O)n(ccc32)Cc2ccc(Cl)cc2)c1[*:1]
Cc1nn2c(ncc3c(=O)n(Cc4ccc(Cl)cc4)ccc32)c1-c1ccccc1 Clc1ccc(cc1)C[*:1] Cc1nn2c(ncc3c(=O)n(ccc32)[*:1])c1-c1ccccc1
COc1cccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)c(C)c3)ccc2=O)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1C)-c1ccc(=O)n(n1)[C@H](C)C(=O)N[*:1]
COc1cccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)c(C)c3)ccc2=O)c1 Cc1ccc(cc1C)[*:1] COc1cccc(c1)NC(=O)[C@@H](C)n1nc(ccc1=O)[*:1]
CC(C)C[C@H](CNC(=O)c1ccc[nH]1)[NH+](C)C c1c[nH]c(c1)[*:1] CC(C)C[C@H](CNC(=O)[*:1])[NH+](C)C
CC(C)C[C@H](CNC(=O)c1ccc[nH]1)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc[nH]1)C[*:1]
CC(C)C[C@H](CNC(=O)c1ccc[nH]1)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc[nH]1)[*:1]
Cc1ccc(/C=N/n2c(C)nc3sc(C)c(C)c3c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1sc2nc(C)n(N=C[*:1])c(=O)c2c1C
CSC[C@H](C)NC(=O)N[C@H](C)c1ccc(Br)cc1 CSC[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(Br)cc1)[*:1]
CSC[C@H](C)NC(=O)N[C@H](C)c1ccc(Br)cc1 CSC[C@H](C)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(Br)cc1
CC(C)n1ccc(C[NH+](C)C2CCC2)n1 C1CC(C1)[*:1] CC(C)n1ccc(C[NH+](C)[*:1])n1
CC(C)n1ccc(C[NH+](C)C2CCC2)n1 CC(C)[*:1] C[NH+](Cc1ccn(n1)[*:1])C1CCC1
CN(C)c1ccc(C2CC[NH+](Cc3ccncc3)CC2)nc1 c1cc(ccn1)[*:1] CN(C)c1ccc(nc1)C1CC[NH+](CC1)C[*:1]
CN(C)c1ccc(C2CC[NH+](Cc3ccncc3)CC2)nc1 c1cc(ccn1)C[*:1] CN(C)c1ccc(nc1)C1CC[NH+](CC1)[*:1]
CN(C)c1ccc(C2CC[NH+](Cc3ccncc3)CC2)nc1 CN(C)[*:1] c1cc(ccn1)C[NH+]1CCC(CC1)c1ccc(cn1)[*:1]
CCc1[nH+]ccn1CCN1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] CCc1[nH+]ccn1CCN1CCN(CC1)C(=O)[*:1]
CCN[C@@]1(C#N)CCC[C@H]1CCSc1ccc(F)cc1F CCN[*:1] N#C[C@]1(CCC[C@H]1CCSc1ccc(F)cc1F)[*:1]
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H]2CCCCC2=O)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)O[C@@H]1CCCCC1=O
COc1ccccc1CC(=O)NCCOc1ccc2c(c1)OCO2 COc1ccccc1[*:1] O=C(C[*:1])NCCOc1ccc2OCOc2c1
O=C(NCCOc1cccc(Cl)c1)c1ccc(N2CCCC2=O)cc1 Clc1cccc(c1)O[*:1] O=C(NCC[*:1])c1ccc(cc1)N1CCCC1=O
O=C(NCCOc1cccc(Cl)c1)c1ccc(N2CCCC2=O)cc1 Clc1cccc(c1)[*:1] O=C(NCCO[*:1])c1ccc(cc1)N1CCCC1=O
O=C(NCCOc1cccc(Cl)c1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(NCCOc1cccc(Cl)c1)c1ccc(cc1)[*:1]
CC1(C(=O)N2CCCC[C@@H]2CCCl)CCCC1 ClCC[*:1] CC1(CCCC1)C(=O)N1CCCC[C@H]1[*:1]
COc1ccccc1CC(C)(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 COc1ccccc1[*:1] CC(C)(C[*:1])NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
COc1ccccc1CC(C)(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccccc1CC(C)(C)NC(=O)/C=C/c1ccc(cc1)[*:1]
COc1ccc(NC(=O)CNc2cc(C(=O)N(C)C)ccc2Cl)cc1 COc1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(Cl)c(c1)NCC(=O)N[*:1]
COc1ccc(NC(=O)CNc2cc(C(=O)N(C)C)ccc2Cl)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)NC(=O)CNc1cc(ccc1Cl)[*:1]
CCOc1ccccc1NC(=O)CN(CC)c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)CN(CC)[*:1]
CCOc1ccccc1NC(=O)CN(CC)c1ccccc1 CCO[*:1] CCN(CC(=O)Nc1ccccc1[*:1])c1ccccc1
CC(C)c1ccc(-c2noc(COc3cccc(C#N)c3)n2)cc1 CC(C)[*:1] N#Cc1cccc(c1)OCc1nc(no1)-c1ccc(cc1)[*:1]
CC(C)c1ccc(-c2noc(COc3cccc(C#N)c3)n2)cc1 N#Cc1cccc(c1)[*:1] CC(C)c1ccc(cc1)-c1noc(CO[*:1])n1
CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccc(OC)cc2)c1C COc1ccc(cc1)[*:1] CCOC(=O)c1[nH]c(C)c(C(=O)NC[*:1])c1C
CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccc(OC)cc2)c1C CCOC(=O)[*:1] COc1ccc(cc1)CNC(=O)c1c(C)[nH]c(c1C)[*:1]
Fc1ccc2ncnc(Sc3ncn(-c4ccccc4)n3)c2c1 c1ccc(cc1)[*:1] Fc1ccc2ncnc(Sc3ncn(n3)[*:1])c2c1
CC(=O)c1ccc(N2CCN(CC(=O)NCc3ccco3)CC2)cc1 c1coc(c1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)CC(=O)NC[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)NCc3ccco3)CC2)cc1 CC(=O)[*:1] O=C(CN1CCN(CC1)c1ccc(cc1)[*:1])NCc1ccco1
CC(=O)c1ccc(N2CCN(CC(=O)NCc3ccco3)CC2)cc1 c1coc(c1)C[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)CC(=O)N[*:1]
Cc1cc(NC(=O)c2n[nH]c(C(C)C)c2N)ncc1Br CC(C)[*:1] Cc1cc(ncc1Br)NC(=O)c1n[nH]c(c1N)[*:1]
COc1ccccc1[C@@H](C)CNC(=O)c1cnc([C@H]2CCCO2)s1 COc1ccccc1[*:1] C[C@@H](CNC(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
COc1ccccc1[C@@H](C)CNC(=O)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] COc1ccccc1[C@@H](C)CNC(=O)c1cnc(s1)[*:1]
CCCC(=O)N1CCc2nc(NC(C)=O)sc2C1 CC(=O)N[*:1] CCCC(=O)N1CCc2nc(sc2C1)[*:1]
CCCC(=O)N1CCc2nc(NC(C)=O)sc2C1 CCC[*:1] CC(=O)Nc1nc2CCN(Cc2s1)C(=O)[*:1]
CC(C)Oc1ccc(NC(=O)N(C)CCCS(C)(=O)=O)c(F)c1 CC(C)O[*:1] CN(CCCS(C)(=O)=O)C(=O)Nc1ccc(cc1F)[*:1]
CC(C)Oc1ccc(NC(=O)N(C)CCCS(C)(=O)=O)c(F)c1 CS(=O)(=O)CCC[*:1] CC(C)Oc1ccc(NC(=O)N(C)[*:1])c(F)c1
CC(C)Oc1ccc(NC(=O)N(C)CCCS(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] CC(C)Oc1ccc(NC(=O)N(C)CCC[*:1])c(F)c1
CC(C)Oc1ccc(NC(=O)N(C)CCCS(C)(=O)=O)c(F)c1 CS(=O)(=O)C[*:1] CC(C)Oc1ccc(NC(=O)N(C)CC[*:1])c(F)c1
CC(C)Oc1ccc(NC(=O)N(C)CCCS(C)(=O)=O)c(F)c1 CC(C)[*:1] CN(CCCS(C)(=O)=O)C(=O)Nc1ccc(cc1F)O[*:1]
CC(C)Oc1ccc(NC(=O)N(C)CCCS(C)(=O)=O)c(F)c1 CS(=O)(=O)CC[*:1] CC(C)Oc1ccc(NC(=O)N(C)C[*:1])c(F)c1
CCOCc1ccc(NC(=O)N(C)[C@H](C)Cc2ccsc2)cc1 c1cc(cs1)C[*:1] CCOCc1ccc(cc1)NC(=O)N(C)[C@H](C)[*:1]
CCOCc1ccc(NC(=O)N(C)[C@H](C)Cc2ccsc2)cc1 c1cc(cs1)[*:1] CCOCc1ccc(cc1)NC(=O)N(C)[C@H](C)C[*:1]
CCOCc1ccc(NC(=O)N(C)[C@H](C)Cc2ccsc2)cc1 CCO[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ccc(cc1)C[*:1]
CCOCc1ccc(NC(=O)N(C)[C@H](C)Cc2ccsc2)cc1 CCOC[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ccc(cc1)[*:1]
CCOCC(=O)NCC[C@H](O)c1ccoc1 CCO[*:1] O=C(C[*:1])NCC[C@H](O)c1ccoc1
CCOCC(=O)NCC[C@H](O)c1ccoc1 c1cc(co1)[*:1] CCOCC(=O)NCC[C@H](O)[*:1]
CCOCC(=O)NCC[C@H](O)c1ccoc1 CCOC[*:1] O=C(NCC[C@H](O)c1ccoc1)[*:1]
CC(C)c1noc(CN(C)C(=O)c2csc3nc(-c4cccc(F)c4)cn23)n1 CC(C)c1noc(n1)[*:1] CN(C[*:1])C(=O)c1csc2nc(cn12)-c1cccc(F)c1
CC(C)c1noc(CN(C)C(=O)c2csc3nc(-c4cccc(F)c4)cn23)n1 Fc1cccc(c1)[*:1] CC(C)c1noc(CN(C)C(=O)c2csc3nc(cn23)[*:1])n1
CC(C)c1noc(CN(C)C(=O)c2csc3nc(-c4cccc(F)c4)cn23)n1 CC(C)[*:1] CN(Cc1nc(no1)[*:1])C(=O)c1csc2nc(cn12)-c1cccc(F)c1
CC(C)c1noc(CN(C)C(=O)c2csc3nc(-c4cccc(F)c4)cn23)n1 CC(C)c1noc(C[*:1])n1 CN(C(=O)c1csc2nc(cn12)-c1cccc(F)c1)[*:1]
O=C(N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1)C1(CCOCC1)[*:1]
O=C(N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(N1CCC2(CC1)OCCN2S(=O)(=O)[*:1])C1(CCOCC1)c1ccccc1
NC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] NC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(cc1)[*:1]
NC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])N1CCC[C@@H]1[*:1]
Cn1ncc2c(N3CCCC3)nc(N3CCN(c4ccccc4)CC3)nc21 C1CCN(C1)[*:1] Cn1ncc2c(nc(nc21)N1CCN(CC1)c1ccccc1)[*:1]
Cn1ncc2c(N3CCCC3)nc(N3CCN(c4ccccc4)CC3)nc21 c1ccc(cc1)[*:1] Cn1ncc2c(nc(nc21)N1CCN(CC1)[*:1])N1CCCC1
CCOc1ccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1 CCOc1ccc(cc1)[*:1] O=C1C(=N[*:1])c2ccccc2N1CN1CCOCC1
CCOc1ccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1 C1CN(CCO1)[*:1] CCOc1ccc(cc1)/N=C1/C(=O)N(C[*:1])c2ccccc21
CCOc1ccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1 C1CN(CCO1)C[*:1] CCOc1ccc(cc1)/N=C1/C(=O)N(c2ccccc21)[*:1]
CCOc1ccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1 CCO[*:1] O=C1/C(=N/c2ccc(cc2)[*:1])c2ccccc2N1CN1CCOCC1
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2csc(-c3ccco3)n2)C1 Cc1ccccc1[*:1] C[C@@H]1C[C@@H](CN1C(=O)c1csc(n1)-c1ccco1)[*:1]
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2csc(-c3ccco3)n2)C1 c1coc(c1)[*:1] Cc1ccccc1[C@H]1C[C@@H](C)N(C1)C(=O)c1csc(n1)[*:1]
C[C@](O)(CNC(=O)c1cccs1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@](O)(CNC(=O)c1cccs1)C[*:1]
C[C@](O)(CNC(=O)c1cccs1)CN1CCOCC1 c1csc(c1)[*:1] C[C@](O)(CNC(=O)[*:1])CN1CCOCC1
O=C(OC1CCCCC1)c1cccc(Oc2nccs2)c1 C1CCC(CC1)[*:1] O=C(O[*:1])c1cccc(c1)Oc1nccs1
O=C(OC1CCCCC1)c1cccc(Oc2nccs2)c1 c1csc(n1)O[*:1] O=C(OC1CCCCC1)c1cccc(c1)[*:1]
O=C(OC1CCCCC1)c1cccc(Oc2nccs2)c1 c1csc(n1)[*:1] O=C(OC1CCCCC1)c1cccc(c1)O[*:1]
CN(CCc1cccs1)C(=O)CC[C@@H]1CCCC[NH2+]1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)CC[C@@H]1CCCC[NH2+]1
CN(CCc1cccs1)C(=O)CC[C@@H]1CCCC[NH2+]1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)CC[C@@H]1CCCC[NH2+]1
CCC[C@@H](NS(=O)(=O)c1cnoc1)C(=O)OC c1nocc1[*:1] CCC[C@@H](NS(=O)(=O)[*:1])C(=O)OC
CCC[C@@H](NS(=O)(=O)c1cnoc1)C(=O)OC CCC[*:1] COC(=O)[C@H](NS(=O)(=O)c1cnoc1)[*:1]
CCC[C@@H](NS(=O)(=O)c1cnoc1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NS(=O)(=O)c1cnoc1)[*:1]
COc1ccc2oc(C(=O)N(C)CCS(C)(=O)=O)c(C)c2c1 CS(=O)(=O)[*:1] COc1ccc2oc(C(=O)N(C)CC[*:1])c(C)c2c1
COc1ccc2oc(C(=O)N(C)CCS(C)(=O)=O)c(C)c2c1 CS(=O)(=O)C[*:1] COc1ccc2oc(C(=O)N(C)C[*:1])c(C)c2c1
COc1ccc2oc(C(=O)N(C)CCS(C)(=O)=O)c(C)c2c1 CS(=O)(=O)CC[*:1] COc1ccc2oc(C(=O)N(C)[*:1])c(C)c2c1
CN(C)C(=O)Cc1ccc(NC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 CN(C)C(=O)C[*:1] CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1)[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)N(C)Cc1ccccc1[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 CN(C)C(=O)[*:1] CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1)C[*:1]
CCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H]([NH+](C)C)C3)cn2)c1 CCc1cccc(c1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)C(=O)Nc1ccc(nc1)O[*:1]
CCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H]([NH+](C)C)C3)cn2)c1 CCc1cccc(c1)O[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)C(=O)Nc1ccc(nc1)[*:1]
O=C(NCCCn1cncn1)c1ccsc1 c1cc(cs1)[*:1] O=C(NCCCn1cncn1)[*:1]
O=C(NCCCn1cncn1)c1ccsc1 c1ncn(n1)[*:1] O=C(NCCC[*:1])c1ccsc1
O=C([O-])[C@@H](c1ccc(NC(=O)N2CCCC2)cc1)[NH+]1CCCCCCC1 O=C(N[*:1])N1CCCC1 O=C([O-])[C@@H](c1ccc(cc1)[*:1])[NH+]1CCCCCCC1
CSCCCC[NH2+]Cc1cccc2c1OCO2 CSC[*:1] c1cc(C[NH2+]CCC[*:1])c2OCOc2c1
CSCCCC[NH2+]Cc1cccc2c1OCO2 CSCC[*:1] c1cc(C[NH2+]CC[*:1])c2OCOc2c1
CSCCCC[NH2+]Cc1cccc2c1OCO2 CSCCC[*:1] c1cc(C[NH2+]C[*:1])c2OCOc2c1
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 COC(=O)C(C)(C)[*:1] O=C(Cc1cccc(Cl)c1)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)C[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)C(=O)Cc1cccc(Cl)c1)[*:1]
C=CCCCN(C)C(=O)NCc1ccccc1CC C=CCC[*:1] CCc1ccccc1CNC(=O)N(C)C[*:1]
C=CCCCN(C)C(=O)NCc1ccccc1CC C=CCCC[*:1] CCc1ccccc1CNC(=O)N(C)[*:1]
C=CCCCN(C)C(=O)NCc1ccccc1CC C=CC[*:1] CCc1ccccc1CNC(=O)N(C)CC[*:1]
Cc1ccsc1CN(C)C(=O)NC[C@H](C)C(=O)OC(C)C Cc1ccsc1[*:1] CC(C)OC(=O)[C@@H](C)CNC(=O)N(C)C[*:1]
Cc1ccsc1CN(C)C(=O)NC[C@H](C)C(=O)OC(C)C Cc1ccsc1C[*:1] CC(C)OC(=O)[C@@H](C)CNC(=O)N(C)[*:1]
Cc1ccsc1CN(C)C(=O)NC[C@H](C)C(=O)OC(C)C CC(C)[*:1] Cc1ccsc1CN(C)C(=O)NC[C@H](C)C(=O)O[*:1]
Cc1ccsc1CN(C)C(=O)NC[C@H](C)C(=O)OC(C)C CC(C)OC(=O)[*:1] Cc1ccsc1CN(C)C(=O)NC[C@H](C)[*:1]
COc1cccc(N2CCN(C(=O)COc3cccc(C)c3)CC2)c1 Cc1cccc(c1)O[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)C[*:1]
COc1cccc(N2CCN(C(=O)COc3cccc(C)c3)CC2)c1 COc1cccc(c1)[*:1] Cc1cccc(c1)OCC(=O)N1CCN(CC1)[*:1]
COc1cccc(N2CCN(C(=O)COc3cccc(C)c3)CC2)c1 Cc1cccc(c1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)CO[*:1]
CC(C)c1nnc2n1N=C(C(C)(C)C)CS2 CC(C)(C)[*:1] CC(C)c1nnc2SCC(=Nn21)[*:1]
CC(C)c1nnc2n1N=C(C(C)(C)C)CS2 CC(C)[*:1] CC(C)(C)C1CSc2nnc(n2N=1)[*:1]
Cc1ccc2nc(NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3nnnn3c2c1 Clc1cccc(c1)[*:1] Cc1ccc2nc(NCC[NH+]3CCN(CC3)[*:1])c3nnnn3c2c1
C[C@@H](C(N)=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 C[C@@H](C(N)=O)[*:1] CC1(C)CCC(CC1)C[NH+]1CCN(CC1)[*:1]
C[C@@H](C(N)=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1 NC(=O)[*:1] C[C@@H](N1CC[NH+](CC1)CC1CCC(C)(C)CC1)[*:1]
CC(=O)Nc1ccc2c(C[NH+]3CCC(CC(N)=O)CC3)cc(=O)oc2c1 NC(=O)[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)C[NH+]1CCC(CC1)C[*:1]
CC(=O)Nc1ccc2c(C[NH+]3CCC(CC(N)=O)CC3)cc(=O)oc2c1 CC(=O)N[*:1] NC(=O)CC1CC[NH+](CC1)Cc1cc(=O)oc2cc(ccc12)[*:1]
CC(=O)Nc1ccc2c(C[NH+]3CCC(CC(N)=O)CC3)cc(=O)oc2c1 NC(=O)C[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)C[NH+]1CCC(CC1)[*:1]
CC(C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl CC(C)NC(=O)[*:1] FC(F)(F)c1cc(nc2c(Cl)c(nn12)[*:1])-c1ccccc1
CC(C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl CC(C)[*:1] O=C(N[*:1])c1nn2c(cc(nc2c1Cl)-c1ccccc1)C(F)(F)F
CC(C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl c1ccc(cc1)[*:1] CC(C)NC(=O)c1nn2c(cc(nc2c1Cl)[*:1])C(F)(F)F
CC(C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl FC(F)(F)[*:1] CC(C)NC(=O)c1nn2c(cc(nc2c1Cl)-c1ccccc1)[*:1]
COc1cc(F)c([C@@H](C)NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)cc1OC Cc1n[nH]c(C)c1[*:1] COc1cc(F)c(cc1OC)[C@@H](C)NC(=O)[C@@H](C)C[*:1]
COc1cc(F)c([C@@H](C)NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)cc1OC Cc1n[nH]c(C)c1C[*:1] COc1cc(F)c(cc1OC)[C@@H](C)NC(=O)[C@@H](C)[*:1]
O=C(CCn1cncn1)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1cncn1)N1CCC[C@H]1CC[*:1]
O=C(CCn1cncn1)N1CCC[C@H]1CCc1ccccc1 c1ncn(n1)[*:1] O=C(CC[*:1])N1CCC[C@H]1CCc1ccccc1
O=C(CCn1cncn1)N1CCC[C@H]1CCc1ccccc1 c1ncn(CC[*:1])n1 O=C(N1CCC[C@H]1CCc1ccccc1)[*:1]
O=C(CCn1cncn1)N1CCC[C@H]1CCc1ccccc1 c1ncn(C[*:1])n1 O=C(C[*:1])N1CCC[C@H]1CCc1ccccc1
O=C(CCn1cncn1)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCn1cncn1)N1CCC[C@H]1C[*:1]
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1Cl)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 Cc1ccc(cc1Cl)[*:1] Cc1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(/C=N/c2ccc(Br)c3cccnc23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(/C=N/c2ccc(Br)c3cccnc23)cc1[*:1]
NC(=O)C1CCN(C(=O)c2c(F)cccc2Cl)CC1 NC(=O)[*:1] O=C(c1c(F)cccc1Cl)N1CCC(CC1)[*:1]
O=C(NC[C@@]1(O)CCSC1)C1(c2cccc(Cl)c2)CCC1 Clc1cccc(c1)[*:1] O=C(NC[C@@]1(O)CCSC1)C1(CCC1)[*:1]
Cc1cc(Oc2ccc(C(=O)[O-])cc2)nc(N2CCC(C)CC2)n1 O=C([O-])[*:1] Cc1cc(nc(n1)N1CCC(C)CC1)Oc1ccc(cc1)[*:1]
Cc1cc(Oc2ccc(C(=O)[O-])cc2)nc(N2CCC(C)CC2)n1 CC1CCN(CC1)[*:1] Cc1cc(nc(n1)[*:1])Oc1ccc(cc1)C(=O)[O-]
CCc1ccccc1NC(=O)CNC(=O)C(=O)Nc1cccc(F)c1F CCc1ccccc1[*:1] O=C(CNC(=O)C(=O)Nc1cccc(F)c1F)N[*:1]
CCc1ccccc1NC(=O)CNC(=O)C(=O)Nc1cccc(F)c1F Fc1cccc(c1F)[*:1] CCc1ccccc1NC(=O)CNC(=O)C(=O)N[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
O=C([O-])[C@H](Cc1cccc(Cl)c1)Cc1ccccn1 c1ccc(nc1)[*:1] O=C([O-])[C@H](Cc1cccc(Cl)c1)C[*:1]
O=C([O-])[C@H](Cc1cccc(Cl)c1)Cc1ccccn1 O=C([O-])[*:1] Clc1cccc(c1)C[C@H](Cc1ccccn1)[*:1]
CCCNC(=O)Cc1nc2ccsc2c(=O)[nH]1 CCC[*:1] O=C(Cc1nc2ccsc2c(=O)[nH]1)N[*:1]
C[C@H]1CCc2c(sc3nc(SCC(=O)c4ccc[nH]4)n(-c4ccccc4)c(=O)c23)C1 c1ccc(cc1)[*:1] C[C@H]1CCc2c(C1)sc1nc(SCC(=O)c3ccc[nH]3)n(c(=O)c21)[*:1]
C[C@H]1CCc2c(sc3nc(SCC(=O)c4ccc[nH]4)n(-c4ccccc4)c(=O)c23)C1 c1c[nH]c(c1)[*:1] C[C@H]1CCc2c(C1)sc1nc(SCC(=O)[*:1])n(-c3ccccc3)c(=O)c21
C[C@H]1CCc2c(sc3nc(SCC(=O)c4ccc[nH]4)n(-c4ccccc4)c(=O)c23)C1 O=C(c1ccc[nH]1)[*:1] C[C@H]1CCc2c(C1)sc1nc(SC[*:1])n(-c3ccccc3)c(=O)c21
C[C@H]1CCc2c(sc3nc(SCC(=O)c4ccc[nH]4)n(-c4ccccc4)c(=O)c23)C1 O=C(C[*:1])c1ccc[nH]1 C[C@H]1CCc2c(C1)sc1nc(S[*:1])n(-c3ccccc3)c(=O)c21
C[C@H]1CCc2c(sc3nc(SCC(=O)c4ccc[nH]4)n(-c4ccccc4)c(=O)c23)C1 O=C(CS[*:1])c1ccc[nH]1 C[C@H]1CCc2c(C1)sc1nc(n(-c3ccccc3)c(=O)c21)[*:1]
CCC(CC)[C@@H](O)CNC(=O)c1ccc(-c2ccc(F)cc2)cc1F CCC(CC)[*:1] O=C(NC[C@H](O)[*:1])c1ccc(cc1F)-c1ccc(F)cc1
CCC(CC)[C@@H](O)CNC(=O)c1ccc(-c2ccc(F)cc2)cc1F Fc1ccc(cc1)[*:1] CCC(CC)[C@@H](O)CNC(=O)c1ccc(cc1F)[*:1]
CCc1cccc2sc(N3CC[NH+](CCNC(=O)c4cccc([N+](=O)[O-])c4)CC3)nc12 O=[N+]([O-])[*:1] CCc1cccc2sc(nc12)N1CC[NH+](CCNC(=O)c2cccc(c2)[*:1])CC1
CCc1cccc2sc(N3CC[NH+](CCNC(=O)c4cccc([N+](=O)[O-])c4)CC3)nc12 O=[N+]([O-])c1cccc(c1)[*:1] CCc1cccc2sc(nc12)N1CC[NH+](CCNC(=O)[*:1])CC1
CNc1ncnc(-c2cc(Br)ccc2F)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ncnc(-c2cc(Br)ccc2F)c1[*:1]
CCCNC(=O)CSCC(F)(F)F CCC[*:1] O=C(CSCC(F)(F)F)N[*:1]
CCCNC(=O)CSCC(F)(F)F FC(F)(F)[*:1] CCCNC(=O)CSC[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1coc(NC(=O)c2cccs2)n1 c1csc(c1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)c1coc(n1)NC(=O)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1coc(NC(=O)c2cccs2)n1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)c1coc(n1)NC(=O)c1cccs1
C[C@@H](CCc1ccccc1)NC(=O)c1coc(NC(=O)c2cccs2)n1 O=C(N[*:1])c1cccs1 C[C@@H](CCc1ccccc1)NC(=O)c1coc(n1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1coc(NC(=O)c2cccs2)n1 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)c1coc(n1)NC(=O)c1cccs1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1coc(NC(=O)c2cccs2)n1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)c1coc(n1)NC(=O)c1cccs1
Cc1ccc2c(c1)cc1c(=O)n(CC(=O)NCc3ccccn3)nc(C)n12 c1ccc(C[*:1])nc1 Cc1ccc2c(c1)cc1c(=O)n(CC(=O)N[*:1])nc(C)n12
Cc1ccc2c(c1)cc1c(=O)n(CC(=O)NCc3ccccn3)nc(C)n12 c1ccc(nc1)[*:1] Cc1ccc2c(c1)cc1c(=O)n(CC(=O)NC[*:1])nc(C)n12
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cc[nH+]c(N(C)C)c1 CN(C)[*:1] Cc1ccc(cc1NC(=O)C(=O)NCc1cc[nH+]c(c1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cc[nH+]c(N(C)C)c1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)C(=O)NCc1cc[nH+]c(c1)N(C)C)[*:1]
C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)[C@H]1CCCN(C1)C(=O)c1cccs1)[*:1]
C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1nccs1 c1csc(c1)[*:1] C[C@H](OC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1nccs1
Cc1ccnc2c1nc(CCl)n2CCOCCC(C)C CC(C)[*:1] Cc1ccnc2c1nc(CCl)n2CCOCC[*:1]
Cc1ccnc2c1nc(CCl)n2CCOCCC(C)C CC(C)CCO[*:1] Cc1ccnc2c1nc(CCl)n2CC[*:1]
Cc1ccnc2c1nc(CCl)n2CCOCCC(C)C CC(C)CC[*:1] Cc1ccnc2c1nc(CCl)n2CCO[*:1]
Cc1ccnc2c1nc(CCl)n2CCOCCC(C)C CC(C)C[*:1] Cc1ccnc2c1nc(CCl)n2CCOC[*:1]
CCCCC[C@@H](C)NC(=O)c1cc2ccccc2c(=O)[nH]1 CCCCC[*:1] C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)[*:1]
CCCCC[C@@H](C)NC(=O)c1cc2ccccc2c(=O)[nH]1 CCCCC[C@@H](C)[*:1] O=C(N[*:1])c1cc2ccccc2c(=O)[nH]1
CCCCC[C@@H](C)NC(=O)c1cc2ccccc2c(=O)[nH]1 CCC[*:1] C[C@H](CC[*:1])NC(=O)c1cc2ccccc2c(=O)[nH]1
CCCCC[C@@H](C)NC(=O)c1cc2ccccc2c(=O)[nH]1 CCCC[*:1] C[C@H](C[*:1])NC(=O)c1cc2ccccc2c(=O)[nH]1
CCC(C)(C)C(=O)NC[C@@H](C)Oc1ccccc1C CCC(C)(C)[*:1] Cc1ccccc1O[C@H](C)CNC(=O)[*:1]
Cc1ccc(/C=N/NC(=O)CN2CC[NH+](Cc3ccccc3Cl)CC2)o1 Clc1ccccc1[*:1] Cc1ccc(/C=N/NC(=O)CN2CC[NH+](CC2)C[*:1])o1
Cc1ccc(/C=N/NC(=O)CN2CC[NH+](Cc3ccccc3Cl)CC2)o1 Clc1ccccc1C[*:1] Cc1ccc(/C=N/NC(=O)CN2CC[NH+](CC2)[*:1])o1
Cc1ccc(/C=N/NC(=O)CN2CC[NH+](Cc3ccccc3Cl)CC2)o1 Cc1ccc(o1)[*:1] O=C(CN1CC[NH+](CC1)Cc1ccccc1Cl)NN=C[*:1]
CCC[NH2+][C@]1(CO)CC[C@@H](Oc2ccc(C)c(C)c2)C1 CCC[*:1] Cc1ccc(cc1C)O[C@@H]1CC[C@](CO)(C1)[NH2+][*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3nc(C)oc3c2)n1 Cc1cc(C)n(n1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)NC[C@H](C)C[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3nc(C)oc3c2)n1 Cc1cc(C)n(C[*:1])n1 Cc1nc2ccc(cc2o1)NC(=O)C(=O)NC[C@H](C)[*:1]
CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(c1)[*:1]
CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(C(C)(C)C)c1 CNC(=O)[*:1] CC(C)(C)n1cc(cn1)NC(=O)N[C@H]1CCCC[C@H]1[*:1]
CCc1nnsc1C(=O)N1CCC[C@H]1[C@@H]1CCCC1=O O=C1CCC[C@H]1[*:1] CCc1nnsc1C(=O)N1CCC[C@@H]1[*:1]
CC(C)C[C@@H]1CCCN1C(=O)c1c[nH]c2cccc(F)c12 CC(C)C[*:1] O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@H]1[*:1]
CC(C)C[C@@H]1CCCN1C(=O)c1c[nH]c2cccc(F)c12 CC(C)[*:1] O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@H]1C[*:1]
COc1ccccc1-c1nc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)n[nH]1 Clc1ccc(cc1)OC[*:1] COc1ccccc1-c1nc(n[nH]1)NC(=O)c1sc(nc1C)[*:1]
COc1ccccc1-c1nc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)n[nH]1 COc1ccccc1[*:1] Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1n[nH]c(n1)[*:1]
COc1ccccc1-c1nc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)n[nH]1 Clc1ccc(cc1)O[*:1] COc1ccccc1-c1nc(n[nH]1)NC(=O)c1sc(C[*:1])nc1C
COc1ccccc1-c1nc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)n[nH]1 Clc1ccc(cc1)[*:1] COc1ccccc1-c1nc(n[nH]1)NC(=O)c1sc(CO[*:1])nc1C
CCOC(=O)C1CCN(C(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1 CCOC(=O)[*:1] O=C(CCn1c(=O)c2cccn2c2cccnc21)N1CCC(CC1)[*:1]
O=C(Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cs1)c1ccc(=O)[nH]c1 O=c1ccc(c[nH]1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])N1CCN(CC1)c1cccc(Cl)c1Cl
O=C(Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cs1)c1ccc(=O)[nH]c1 Clc1cccc(c1Cl)[*:1] O=C(Nc1nc(cs1)CC(=O)N1CCN(CC1)[*:1])c1ccc(=O)[nH]c1
O=C(Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cs1)c1ccc(=O)[nH]c1 O=C(N[*:1])c1ccc(=O)[nH]c1 O=C(Cc1csc(n1)[*:1])N1CCN(CC1)c1cccc(Cl)c1Cl
CC(C)[C@H](C#N)N1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 C1CC1[*:1] CC(C)[C@H](C#N)N1CCN(CC1)C(=O)c1ccnc(n1)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 CC(C)[*:1] N#C[C@H](N1CCN(CC1)C(=O)c1ccnc(n1)C1CC1)[*:1]
O=C(Nc1ccc(Nc2ccccc2)nc1)[C@H](c1ccccc1)N1CCCCC1=O c1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)N[*:1])[C@H](c1ccccc1)N1CCCCC1=O
O=C(Nc1ccc(Nc2ccccc2)nc1)[C@H](c1ccccc1)N1CCCCC1=O c1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)Nc1ccccc1)[C@H](N1CCCCC1=O)[*:1]
O=C(Nc1ccc(Nc2ccccc2)nc1)[C@H](c1ccccc1)N1CCCCC1=O O=C1CCCCN1[*:1] O=C(Nc1ccc(nc1)Nc1ccccc1)[C@H](c1ccccc1)[*:1]
O=C(Nc1ccc(Nc2ccccc2)nc1)[C@H](c1ccccc1)N1CCCCC1=O c1ccc(cc1)N[*:1] O=C(Nc1ccc(nc1)[*:1])[C@H](c1ccccc1)N1CCCCC1=O
Cc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3cccs3)c3ccccc3n2)cc1 O=C(NC[*:1])c1cccs1 Cc1ccc(cc1)-c1cc(C(=O)NNC(=O)[*:1])c2ccccc2n1
Cc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3cccs3)c3ccccc3n2)cc1 O=C(N[*:1])c1cccs1 Cc1ccc(cc1)-c1cc(C(=O)NNC(=O)C[*:1])c2ccccc2n1
Cc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3cccs3)c3ccccc3n2)cc1 Cc1ccc(cc1)[*:1] O=C(CNC(=O)c1cccs1)NNC(=O)c1cc(nc2ccccc12)[*:1]
Cc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)c3cccs3)c3ccccc3n2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)-c1cc(C(=O)NNC(=O)CNC(=O)[*:1])c2ccccc2n1
COc1ccccc1NC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1 COc1ccccc1[*:1] O=C(N[*:1])c1cc(on1)-c1ccc2OCCOc2c1
[NH3+]C[C@H](c1cc(Cl)cs1)N1CC[C@@H]2CCCC[C@@H]2C1 Clc1csc(c1)[*:1] [NH3+]C[C@H](N1CC[C@@H]2CCCC[C@@H]2C1)[*:1]
Cc1ccccc1[C@H](NC(=O)N[C@H]1CCCC[C@@H]1CO)C1CC1 Cc1ccccc1[*:1] O=C(N[C@H]1CCCC[C@@H]1CO)N[C@H](C1CC1)[*:1]
Cc1ccccc1[C@H](NC(=O)N[C@H]1CCCC[C@@H]1CO)C1CC1 C1CC1[*:1] Cc1ccccc1[C@H](NC(=O)N[C@H]1CCCC[C@@H]1CO)[*:1]
Cc1nc(-c2ccccc2)c(C)n2c1nc1ccccc12 c1ccc(cc1)[*:1] Cc1nc(c(C)n2c1nc1ccccc12)[*:1]
CCn1c(=O)c(C(=O)Nc2ccccc2)nc2cc(C)c(C)cc21 c1ccc(cc1)[*:1] CCn1c(=O)c(nc2cc(C)c(C)cc21)C(=O)N[*:1]
CN(C)C(=O)CCNC(=O)c1ccc2cc[nH]c2c1 CN(C)C(=O)[*:1] O=C(NCC[*:1])c1ccc2cc[nH]c2c1
CN(C)C(=O)CCNC(=O)c1ccc2cc[nH]c2c1 CN(C)C(=O)C[*:1] O=C(NC[*:1])c1ccc2cc[nH]c2c1
O=C(Nc1ccnn1Cc1ccccc1Br)c1cccs1 Brc1ccccc1[*:1] O=C(Nc1ccnn1C[*:1])c1cccs1
O=C(Nc1ccnn1Cc1ccccc1Br)c1cccs1 c1csc(c1)[*:1] O=C(Nc1ccnn1Cc1ccccc1Br)[*:1]
CC(=O)N1CCC(CCC(=O)N2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 CC(=O)N1CCC(CC1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)CC[*:1]
COc1ccc2c(c1)=[NH+][C@H](C(=O)N1CCC([C@H](C)C(=O)NCc3ccc(C)o3)CC1)C=2 Cc1ccc(CNC(=O)[*:1])o1 COc1ccc2=C[C@H]([NH+]=c2c1)C(=O)N1CCC(CC1)[C@H](C)[*:1]
COc1ccc2c(c1)=[NH+][C@H](C(=O)N1CCC([C@H](C)C(=O)NCc3ccc(C)o3)CC1)C=2 Cc1ccc(o1)[*:1] COc1ccc2=C[C@H]([NH+]=c2c1)C(=O)N1CCC(CC1)[C@H](C)C(=O)NC[*:1]
COc1ccc2c(c1)=[NH+][C@H](C(=O)N1CCC([C@H](C)C(=O)NCc3ccc(C)o3)CC1)C=2 Cc1ccc(C[*:1])o1 COc1ccc2=C[C@H]([NH+]=c2c1)C(=O)N1CCC(CC1)[C@H](C)C(=O)N[*:1]
CO[C@]1(C)C[C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1(C)C C[C@@H](C#N)[*:1] CO[C@]1(C)C[C@@H](NC(=O)Nc2ccccc2SC[*:1])C1(C)C
CO[C@]1(C)C[C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1(C)C C[C@@H](C#N)CS[*:1] CO[C@]1(C)C[C@@H](NC(=O)Nc2ccccc2[*:1])C1(C)C
CO[C@]1(C)C[C@@H](NC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1(C)C C[C@@H](C#N)C[*:1] CO[C@]1(C)C[C@@H](NC(=O)Nc2ccccc2S[*:1])C1(C)C
O=C(C1=C([O-])C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@H](c2cccnc2)N1CCc1c[nH]c2ccccc12)[*:1]
O=C(C1=C([O-])C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1)c1ccccc1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccnc1)c1ccccc1
O=C(C1=C([O-])C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccnc2)N1CCc1c[nH]c2ccccc12
O=C(C1=C([O-])C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1)c1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1cccnc1)c1ccccc1
O=C(C1=C([O-])C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1)c1ccccc1 c1cncc(c1)[*:1] O=C(C1=C([O-])C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1[*:1])c1ccccc1
Cc1cc(C)c(NC(=O)CN(C)C(=O)NCCCc2nc(C)no2)c(C)c1 Cc1noc(CCC[*:1])n1 Cc1cc(C)c(NC(=O)CN(C)C(=O)N[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)NCCCc2nc(C)no2)c(C)c1 Cc1noc(n1)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)NCCC[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)NCCCc2nc(C)no2)c(C)c1 Cc1noc(C[*:1])n1 Cc1cc(C)c(NC(=O)CN(C)C(=O)NCC[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)NCCCc2nc(C)no2)c(C)c1 Cc1noc(CC[*:1])n1 Cc1cc(C)c(NC(=O)CN(C)C(=O)NC[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)NCCCc2nc(C)no2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1noc(CCCNC(=O)N(C)CC(=O)N[*:1])n1
Cc1nn(C)c2c1nc(CCl)n2Cc1ccsc1 c1cc(cs1)[*:1] Cc1nn(C)c2c1nc(CCl)n2C[*:1]
Cc1nn(C)c2c1nc(CCl)n2Cc1ccsc1 c1cc(cs1)C[*:1] Cc1nn(C)c2c1nc(CCl)n2[*:1]
COc1cccc([C@H](C)CC(=O)Nc2ccccc2N2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)[C@H](C)CC(=O)Nc1ccccc1[*:1]
COc1cccc([C@H](C)CC(=O)Nc2ccccc2N2CCOCC2)c1 COc1cccc(c1)[*:1] C[C@H](CC(=O)Nc1ccccc1N1CCOCC1)[*:1]
N/C(=N/OC(=O)/C=C\c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N/C(=N/OC(=O)/C=C\c1csc(c1)[N+](=O)[O-])[*:1]
N/C(=N/OC(=O)/C=C\c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 O=[N+]([O-])[*:1] N/C(=N/OC(=O)/C=C\c1csc(c1)[*:1])c1ccc(Cl)cc1
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C)c1 Cc1cccc(c1)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)N[*:1]
CCC(CC)(CNC(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccccc1 O=C1CCCN1[*:1] CCC(CC)(CNC(=O)N1CCC[C@@H](C1)[*:1])c1ccccc1
CCC(CC)(CNC(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)(CNC(=O)N1CCC[C@H](C1)N1CCCC1=O)[*:1]
CCC[C@H](C(=O)Nc1cnc(-c2ccccc2)s1)[NH+](C)C c1ccc(cc1)[*:1] CCC[C@H](C(=O)Nc1cnc(s1)[*:1])[NH+](C)C
CCC[C@H](C(=O)Nc1cnc(-c2ccccc2)s1)[NH+](C)C CCC[*:1] C[NH+](C)[C@@H](C(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
CCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(SC)cc1 CCC[*:1] CSc1ccc(cc1)[C@@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1cc(Cl)ccc1O
CCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(SC)cc1 Oc1ccc(Cl)cc1[*:1] CCCN1C(=O)c2[nH]nc(c2[C@H]1c1ccc(cc1)SC)[*:1]
CCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(SC)cc1 CSc1ccc(cc1)[*:1] CCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1[*:1]
COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)c1ccc(F)c(F)c1 CC(=O)[*:1] COc1ccc(cc1CC(=O)N[C@H](C)c1ccc(F)c(F)c1)[*:1]
COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COc1ccc(cc1CC(=O)N[C@H](C)[*:1])C(C)=O
CCOC(=O)N[C@@H]1CCCN(C(=O)c2oc3c(c2C)C(=O)CCC3)C1 CCOC(=O)N[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)NC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1c(cnc1SCC(=O)N[*:1])-c1cccc(c1)[N+](=O)[O-]
Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)NC(C)C)cc1 CC(C)NC(=O)C[*:1] Cc1ccc(cc1)-n1c(cnc1S[*:1])-c1cccc(c1)[N+](=O)[O-]
Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)-n1c(cnc1SC[*:1])-c1cccc(c1)[N+](=O)[O-]
Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)NC(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)CSc1ncc(-c2cccc(c2)[N+](=O)[O-])n1[*:1]
Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)NC(C)C)cc1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1)-n1c(cnc1SCC(=O)NC(C)C)[*:1]
Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)NC(C)C)cc1 CC(C)NC(=O)CS[*:1] Cc1ccc(cc1)-n1c(cnc1[*:1])-c1cccc(c1)[N+](=O)[O-]
Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)NC(C)C)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-n1c(cnc1SCC(=O)NC(C)C)-c1cccc(c1)[*:1]
C[NH+](C)Cc1ccccc1CNC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)Cc1ccccc1CNC(=O)CC[*:1]
C[NH+](C)Cc1ccccc1CNC(=O)CCc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)Cc1ccccc1CNC(=O)C[*:1]
O=C([O-])[C@@H]([C@H](O)c1ccccc1)n1nnc2ccccc21 O=C([O-])[*:1] O[C@H](c1ccccc1)[C@@H](n1nnc2ccccc21)[*:1]
O=C([O-])[C@@H]([C@H](O)c1ccccc1)n1nnc2ccccc21 c1ccc(cc1)[*:1] O=C([O-])[C@@H]([C@H](O)[*:1])n1nnc2ccccc21
O=C(Nc1cc(Cl)ccc1-n1cncn1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 c1ncn(n1)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1F
O=C(Nc1cc(Cl)ccc1-n1cncn1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] O=C(Nc1cc(Cl)ccc1-n1cncn1)C1CCN(CC1)C(=O)[*:1]
CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C[C@@H](C)COC COC[*:1] CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C[C@@H](C)[*:1]
CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C[C@@H](C)COC COC[C@H](C)C[*:1] CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1[*:1]
CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C[C@@H](C)COC COC[C@H](C)[*:1] CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C[*:1]
CNS(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNS(=O)(=O)c1ccc(C)c(c1)NC(=O)/C=C/c1ccccc1[*:1]
CNS(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[*:1]
O=C(C[NH+]1CCC(n2nnn(C3CC3)c2=O)CC1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(C[NH+]1CCC(CC1)n1nnn(c1=O)C1CC1)N[*:1]
O=C(C[NH+]1CCC(n2nnn(C3CC3)c2=O)CC1)NC1CCCCC1 C1CC1[*:1] O=C(C[NH+]1CCC(CC1)n1nnn(c1=O)[*:1])NC1CCCCC1
Cc1c(C(=O)NC[C@@H](C)c2ccc(F)cc2F)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@@H](C)c1ccc(F)cc1F
COCC[C@H](C)C(=O)Nc1ccc(Oc2cc[nH+]c3ccccc23)cc1 COCC[*:1] C[C@H](C(=O)Nc1ccc(cc1)Oc1cc[nH+]c2ccccc12)[*:1]
COCC[C@H](C)C(=O)Nc1ccc(Oc2cc[nH+]c3ccccc23)cc1 COCC[C@H](C)[*:1] O=C(Nc1ccc(cc1)Oc1cc[nH+]c2ccccc12)[*:1]
COCC[C@H](C)C(=O)Nc1ccc(Oc2cc[nH+]c3ccccc23)cc1 COC[*:1] C[C@@H](C[*:1])C(=O)Nc1ccc(cc1)Oc1cc[nH+]c2ccccc12
CS[C@H]1CC[C@H](NC(=O)N(C)[C@H](C)c2ccccc2)C1 c1ccc(cc1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N(C)[C@H](C)[*:1]
O=C(NC1=NCCS1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] O=C(NC1=NCCS1)c1ccccc1Sc1ccc(cc1[N+](=O)[O-])[*:1]
O=C(NC1=NCCS1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NC1=NCCS1)c1ccccc1Sc1ccc(cc1[*:1])C(F)(F)F
Cc1cc(C)cc(OC[C@H](O)Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)OC[C@H](O)Cn1cnc2c(cnn2-c2ccccc2[*:1])c1=O
Cc1cc(C)cc(OC[C@H](O)Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)c1 O=[N+]([O-])c1ccccc1[*:1] Cc1cc(C)cc(c1)OC[C@H](O)Cn1cnc2c(cnn2[*:1])c1=O
Cc1cc(C)cc(OC[C@H](O)Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)c1 Cc1cc(C)cc(c1)OC[*:1] O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1C[C@@H](O)[*:1]
Cc1cc(C)cc(OC[C@H](O)Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)c1 Cc1cc(C)cc(c1)[*:1] O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1C[C@@H](O)CO[*:1]
Cc1cc(C)cc(OC[C@H](O)Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)c1 Cc1cc(C)cc(c1)O[*:1] O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1C[C@@H](O)C[*:1]
COc1ccc(-c2nc(C[S@@](=O)Cc3ccon3)cs2)cc1 c1cc(C[*:1])no1 COc1ccc(cc1)-c1nc(cs1)C[S@@](=O)[*:1]
COc1ccc(-c2nc(C[S@@](=O)Cc3ccon3)cs2)cc1 c1cc(no1)[*:1] COc1ccc(cc1)-c1nc(cs1)C[S@@](=O)C[*:1]
CCN1C(=O)CCc2cc(NC(=O)/C=C/c3ccc4c(c3)OCO4)ccc21 c1cc2OCOc2cc1[*:1] CCN1C(=O)CCc2cc(ccc21)NC(=O)C=C[*:1]
CCOc1ccccc1CNC(=O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCOc1ccccc1CNC(=O)Cc1ccc(cc1)[*:1]
CCOc1ccccc1CNC(=O)Cc1ccc(C(F)(F)F)cc1 CCO[*:1] O=C(Cc1ccc(cc1)C(F)(F)F)NCc1ccccc1[*:1]
Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=O)c3cccs3)cc2c1 c1csc(c1)[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)CN(CCO)C(=O)[*:1]
Cc1cc(C)c2[nH]c(=O)c(CN(CCO)C(=O)c3cccs3)cc2c1 OCC[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)CN(C(=O)c1cccs1)[*:1]
CC[C@H]1CN(Cc2ccc(C(=O)NN)cn2)CCO1 NNC(=O)[*:1] CC[C@H]1CN(CCO1)Cc1ccc(cn1)[*:1]
COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)N(CC(=O)NC1CCCCC1)S(=O)(=O)[*:1]
COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 O=C(NC1CCCCC1)[*:1] COc1ccc(cc1)N(C[*:1])S(=O)(=O)c1ccc(C)cc1
COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)N(CC(=O)N[*:1])S(=O)(=O)c1ccc(C)cc1
COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)[*:1]
COc1cccc(-c2cc(=O)[nH]c(Nc3ccc(F)cc3Cl)n2)c1 Fc1ccc(c(Cl)c1)[*:1] COc1cccc(c1)-c1cc(=O)[nH]c(n1)N[*:1]
COc1cccc(-c2cc(=O)[nH]c(Nc3ccc(F)cc3Cl)n2)c1 COc1cccc(c1)[*:1] O=c1cc(nc(Nc2ccc(F)cc2Cl)[nH]1)[*:1]
COCCCC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C COC[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)CC[*:1]
COCCCC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C CC(C)(C)[*:1] COCCCC(=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)O[*:1]
COCCCC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C COCCC[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)[*:1]
COCCCC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C COCC[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)C[*:1]
COCCOC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl COCC[*:1] N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)O[*:1]
COCCOC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl COC[*:1] N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)OC[*:1]
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN(C(N)=O)C1 C=CC[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N(Cc1ccc(Cl)s1)[*:1]
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN(C(N)=O)C1 Clc1ccc(s1)[*:1] C=CCN(C[*:1])C(=O)[C@@H]1CCCN(C1)C(N)=O
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCN(C(N)=O)C1 Clc1ccc(C[*:1])s1 C=CCN(C(=O)[C@@H]1CCCN(C1)C(N)=O)[*:1]
C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)C1 C[C@@H]1CCCN(C1)C(=O)[*:1] CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)C1 Fc1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)[*:1]
CC[C@@H](C)n1nc(C)c(C2=NN=C([C@@H]3Nn4c(nnc4C(C)C)S3)C2)c1C CC(C)[*:1] CC[C@@H](C)n1nc(C)c(C2CC(=NN=2)[C@@H]2Nn3c(nnc3[*:1])S2)c1C
CC[C@@H](C)n1nc(C)c(C2=NN=C([C@@H]3Nn4c(nnc4C(C)C)S3)C2)c1C CC[C@@H](C)[*:1] Cc1nn(c(C)c1C1CC(=NN=1)[C@@H]1Nn2c(nnc2C(C)C)S1)[*:1]
COC(C)(C)CNC(=O)N[C@H]1CCCn2nc(C)nc21 COC(C)(C)C[*:1] Cc1nc2[C@H](CCCn2n1)NC(=O)N[*:1]
COC(C)(C)CNC(=O)N[C@H]1CCCn2nc(C)nc21 COC(C)(C)[*:1] Cc1nc2[C@H](CCCn2n1)NC(=O)NC[*:1]
Cc1ccc(C)c(-n2nc(C)c(CN3CCN([C@@H](C)C(N)=O)CC3)c2Cl)c1 NC(=O)[*:1] Cc1ccc(C)c(c1)-n1nc(C)c(CN2CCN(CC2)[C@@H](C)[*:1])c1Cl
Cc1ccc(C)c(-n2nc(C)c(CN3CCN([C@@H](C)C(N)=O)CC3)c2Cl)c1 Cc1ccc(C)c(c1)[*:1] Cc1nn(c(Cl)c1CN1CCN(CC1)[C@@H](C)C(N)=O)[*:1]
Cc1ccc(C)c(-n2nc(C)c(CN3CCN([C@@H](C)C(N)=O)CC3)c2Cl)c1 C[C@@H](C(N)=O)[*:1] Cc1ccc(C)c(c1)-n1nc(C)c(CN2CCN(CC2)[*:1])c1Cl
CCO[C@H]1C[C@H]1/C([O-])=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1 CCO[*:1] N#C/C(C(=O)Nc1ccc(cc1)SC(F)F)=C(\[O-])[C@@H]1C[C@@H]1[*:1]
CCO[C@H]1C[C@H]1/C([O-])=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] CCO[C@H]1C[C@H]1/C([O-])=C(/C#N)C(=O)Nc1ccc(cc1)S[*:1]
CCO[C@H]1C[C@H]1/C([O-])=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] CCO[C@H]1C[C@H]1/C([O-])=C(/C#N)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](O)C[C@H]1CCCCCN1S(=O)(=O)c1c[nH]cn1 C[C@H](O)C[*:1] O=S(=O)(c1c[nH]cn1)N1CCCCC[C@@H]1[*:1]
C[C@H](O)C[C@H]1CCCCCN1S(=O)(=O)c1c[nH]cn1 c1nc(c[nH]1)[*:1] C[C@H](O)C[C@H]1CCCCCN1S(=O)(=O)[*:1]
C[C@H](O)C[C@H]1CCCCCN1S(=O)(=O)c1c[nH]cn1 C[C@H](O)[*:1] O=S(=O)(c1c[nH]cn1)N1CCCCC[C@@H]1C[*:1]
Cc1ccc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)cc1F Cc1nn(c(C)c1Br)[*:1] Cc1ccc(cc1F)NC(=O)c1ccc(C[*:1])o1
Cc1ccc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)cc1F Cc1ccc(cc1F)[*:1] Cc1nn(Cc2ccc(o2)C(=O)N[*:1])c(C)c1Br
COC(=O)c1occc1/C=C(\C#N)c1nc([O-])c2cc(Br)ccc2n1 COC(=O)[*:1] N#C/C(=C\c1ccoc1[*:1])c1nc([O-])c2cc(Br)ccc2n1
COC[C@@H](C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N Clc1ccc(c(Cl)c1)[*:1] COC[C@@H](C)Nc1ncnc(NNC(=O)[*:1])c1N
COC[C@@H](C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N COC[C@@H](C)N[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1ccc(Cl)cc1Cl
COC[C@@H](C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N COC[*:1] C[C@@H](Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N)[*:1]
COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(F)cc3Cl)sc2c1 Fc1ccc(c(Cl)c1)[*:1] COc1ccc2nc(sc2c1)N(CC[NH+](C)C)C(=O)[*:1]
O=C(NCc1cccnc1OC1CCCC1)Nc1cc2c(cc1Cl)OCCO2 C1CCC(C1)[*:1] O=C(NCc1cccnc1O[*:1])Nc1cc2OCCOc2cc1Cl
O=C(NCc1cccnc1OC1CCCC1)Nc1cc2c(cc1Cl)OCCO2 C1CCC(C1)O[*:1] O=C(NCc1cccnc1[*:1])Nc1cc2OCCOc2cc1Cl
N#CCCCn1cc(Cl)c(=O)[nH]c1=O N#CCC[*:1] O=c1[nH]c(=O)n(cc1Cl)C[*:1]
N#CCCCn1cc(Cl)c(=O)[nH]c1=O N#CC[*:1] O=c1[nH]c(=O)n(cc1Cl)CC[*:1]
Cc1ccc(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(CSc1nnc2c(Cl)cc(cn12)C(F)(F)F)N[*:1]
Cc1ccc(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(Cl)c1 FC(F)(F)[*:1] Cc1ccc(NC(=O)CSc2nnc3c(Cl)cc(cn23)[*:1])c(Cl)c1
Cn1cc(CCCOC(=O)c2cc3ccccc3c(=O)[nH]2)cn1 Cn1cc(cn1)[*:1] O=C(OCCC[*:1])c1cc2ccccc2c(=O)[nH]1
Cn1cc(CCCOC(=O)c2cc3ccccc3c(=O)[nH]2)cn1 Cn1cc(cn1)C[*:1] O=C(OCC[*:1])c1cc2ccccc2c(=O)[nH]1
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCOc1cccc(C(N)=O)c1 NC(=O)c1cccc(c1)[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCO[*:1]
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCOc1cccc(C(N)=O)c1 NC(=O)[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCOc1cccc(c1)[*:1]
C[C@H](CNC(=O)COc1ccc(Br)cc1F)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)COc1ccc(Br)cc1F)C[*:1]
C[C@H](CNC(=O)COc1ccc(Br)cc1F)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)COc1ccc(Br)cc1F)[*:1]
CCOC1CCN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CC1 CCO[*:1] C/C(=C/C(=O)N1CCC(CC1)[*:1])c1ccccc1OC(F)F
CCOC1CCN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CC1 FC(F)[*:1] CCOC1CCN(CC1)C(=O)/C=C(/C)c1ccccc1O[*:1]
CCOC1CCN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CC1 FC(F)O[*:1] CCOC1CCN(CC1)C(=O)/C=C(/C)c1ccccc1[*:1]
CN(C)c1cccc(C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)c1 CN(C)[*:1] Cn1cc(C[NH2+]Cc2cccc(c2)[*:1])c(=O)n(C)c1=O
CCc1cccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NC2CCCCC2)c1 COC(=O)[*:1] CCc1cccc(c1)N1C(=O)c2c(ncn2C[C@]1(C)C(=O)NC1CCCCC1)[*:1]
CCc1cccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NC2CCCCC2)c1 O=C(NC1CCCCC1)[*:1] CCc1cccc(c1)N1C(=O)c2c(ncn2C[C@@]1(C)[*:1])C(=O)OC
CCc1cccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NC2CCCCC2)c1 CCc1cccc(c1)[*:1] COC(=O)c1ncn2C[C@](C)(C(=O)NC3CCCCC3)N(C(=O)c12)[*:1]
CCc1cccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] CCc1cccc(c1)N1C(=O)c2c(ncn2C[C@]1(C)C(=O)N[*:1])C(=O)OC
COc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4C)C3)s2)cc1 COc1ccc(cc1)NC(=O)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
COc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4C)C3)s2)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)NC(=O)c1nnc(s1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4C)C3)s2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCC[C@@H](C1)c1nnc(s1)C(=O)N[*:1]
C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O c1ccc(cc1)[*:1] C[C@H](C(=O)N1CC[NH+](CC1)C[*:1])N1C(=O)c2ccccc2C1=O
C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O c1ccc(cc1)C[*:1] C[C@H](C(=O)N1CC[NH+](CC1)[*:1])N1C(=O)c2ccccc2C1=O
COc1ccc(C(=O)NC[C@]2(C)C[C@@H](NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N[C@H]1CC(C)(C)C[C@](C)(CNC(=O)[*:1])C1
COc1ccc(C(=O)NC[C@]2(C)C[C@@H](NC(=O)c3ccc(OC)cc3)CC(C)(C)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NC[C@]1(C)C[C@H](CC(C)(C)C1)NC(=O)[*:1]
C[C@H](O)c1cccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1 C[C@H](O)[*:1] C[C@@H](NC(=O)COc1cccc(c1)[*:1])c1ccc(F)cc1
C[C@H](O)c1cccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] C[C@H](O)c1cccc(c1)OCC(=O)N[C@H](C)[*:1]
CC(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(C)(C)C)on1 CC(C)[*:1] CC(C)(C)c1cc(no1)NC(=O)NC[C@@H]1CCO[C@H]1[*:1]
CC(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(C)(C)C)on1 CC(C)(C)[*:1] CC(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(on1)[*:1]
NC(=O)c1cccc2c1CCCN2S(=O)(=O)CCC1CC1 C1CC1CC[*:1] NC(=O)c1cccc2c1CCCN2S(=O)(=O)[*:1]
NC(=O)c1cccc2c1CCCN2S(=O)(=O)CCC1CC1 C1CC1C[*:1] NC(=O)c1cccc2c1CCCN2S(=O)(=O)C[*:1]
NC(=O)c1cccc2c1CCCN2S(=O)(=O)CCC1CC1 NC(=O)[*:1] O=S(=O)(CCC1CC1)N1CCCc2c1cccc2[*:1]
NC(=O)c1cccc2c1CCCN2S(=O)(=O)CCC1CC1 C1CC1[*:1] NC(=O)c1cccc2c1CCCN2S(=O)(=O)CC[*:1]
COCCC[NH+]1CCCN(c2nc(C)ns2)CC1 COCCC[*:1] Cc1nsc(n1)N1CCC[NH+](CC1)[*:1]
COCCC[NH+]1CCCN(c2nc(C)ns2)CC1 COCC[*:1] Cc1nsc(n1)N1CCC[NH+](CC1)C[*:1]
COCCC[NH+]1CCCN(c2nc(C)ns2)CC1 COC[*:1] Cc1nsc(n1)N1CCC[NH+](CC1)CC[*:1]
COCCC[NH+]1CCCN(c2nc(C)ns2)CC1 Cc1nsc(n1)[*:1] COCCC[NH+]1CCCN(CC1)[*:1]
C=CCn1c(SCC)nc2c1c(=O)n(C)c(=O)n2C CCS[*:1] C=CCn1c(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
C=CCn1c(SCC)nc2c1c(=O)n(C)c(=O)n2C C=CC[*:1] CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
CCc1ccc(C(=O)N(C)C[C@H](C)C(=O)NC)cc1 CNC(=O)[*:1] CCc1ccc(cc1)C(=O)N(C)C[C@H](C)[*:1]
CCc1ccc(C(=O)N(C)C[C@H](C)C(=O)NC)cc1 CNC(=O)[C@@H](C)[*:1] CCc1ccc(cc1)C(=O)N(C)C[*:1]
O=C(NCCOc1ccc(Br)cc1)c1c(O)cccc1O Brc1ccc(cc1)[*:1] O=C(NCCO[*:1])c1c(O)cccc1O
O=C(N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccoc1 c1cc(co1)[*:1] O=C1C[C@H](CN1Cc1ccccc1Cl)NC(=O)[*:1]
O=C(N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccoc1 Clc1ccccc1[*:1] O=C(N[C@@H]1CC(=O)N(C1)C[*:1])c1ccoc1
Cc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 FC(F)O[*:1] Cc1ccc(cc1)CNC(=O)c1ccccc1[*:1]
Cc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 FC(F)[*:1] Cc1ccc(cc1)CNC(=O)c1ccccc1O[*:1]
Cc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccccc1OC(F)F
CCn1c(C2CCN(C(=O)[C@@H]3CC(=O)c4ccccc43)CC2)nn(C)c1=O CCn1c(nn(C)c1=O)[*:1] O=C1C[C@@H](C(=O)N2CCC(CC2)[*:1])c2ccccc21
CCCOc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)c(C)c1 c1coc(c1)[*:1] CCCOc1ccc(NC(=O)N(C)[C@H](C)[*:1])c(C)c1
CCCOc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)c(C)c1 CCCO[*:1] Cc1cc(ccc1NC(=O)N(C)[C@H](C)c1ccco1)[*:1]
CCCOc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)c(C)c1 CCC[*:1] Cc1cc(ccc1NC(=O)N(C)[C@H](C)c1ccco1)O[*:1]
C#CC[C@@H](O)c1cncc(Br)c1 C#CC[*:1] O[C@@H](c1cncc(Br)c1)[*:1]
Cc1cc(C)c(NC(=S)NC(=O)C2CC2)c(C)c1 C1CC1[*:1] Cc1cc(C)c(NC(=S)NC(=O)[*:1])c(C)c1
COc1cccc(-c2nc(CSc3ccccc3)cs2)c1OC c1ccc(cc1)[*:1] COc1cccc(-c2nc(cs2)CS[*:1])c1OC
COc1cccc(-c2nc(CSc3ccccc3)cs2)c1OC c1ccc(cc1)S[*:1] COc1cccc(-c2nc(cs2)C[*:1])c1OC
Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccco3)CN(C(=O)C3CCCC3)C2)ccc1F c1coc(c1)C[*:1] Cc1cc(ccc1F)[C@@H]1C[C@H](CN(C1)C(=O)C1CCCC1)C(=O)N[*:1]
Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccco3)CN(C(=O)C3CCCC3)C2)ccc1F O=C(NCc1ccco1)[*:1] Cc1cc(ccc1F)[C@@H]1C[C@@H](CN(C1)C(=O)C1CCCC1)[*:1]
Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccco3)CN(C(=O)C3CCCC3)C2)ccc1F C1CCC(C1)[*:1] Cc1cc(ccc1F)[C@@H]1C[C@H](CN(C1)C(=O)[*:1])C(=O)NCc1ccco1
Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccco3)CN(C(=O)C3CCCC3)C2)ccc1F Cc1cc(ccc1F)[*:1] O=C(NCc1ccco1)[C@@H]1C[C@H](CN(C1)C(=O)C1CCCC1)[*:1]
Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccco3)CN(C(=O)C3CCCC3)C2)ccc1F c1coc(c1)[*:1] Cc1cc(ccc1F)[C@@H]1C[C@H](CN(C1)C(=O)C1CCCC1)C(=O)NC[*:1]
C[C@H]1OCC[C@H]1C(=O)NC(C)(C)/C(N)=N/O N/C(=N\O)[*:1] C[C@H]1OCC[C@H]1C(=O)NC(C)(C)[*:1]
CCN(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1Cl)C(=O)C1CCC1 Clc1ccccc1[*:1] CCN(CC(=O)N1CCn2cccc2[C@@H]1[*:1])C(=O)C1CCC1
CCN(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1Cl)C(=O)C1CCC1 C1CC(C1)[*:1] CCN(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1Cl)C(=O)[*:1]
CCN(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1Cl)C(=O)C1CCC1 CCN(C(=O)C1CCC1)[*:1] O=C(C[*:1])N1CCn2cccc2[C@H]1c1ccccc1Cl
Cc1noc(C)c1CN(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 Cc1noc(C)c1[*:1] CN(C[*:1])C(=O)NCc1ccc([nH+]c1)N1CCCC1
Cc1noc(C)c1CN(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 Cc1noc(C)c1C[*:1] CN(C(=O)NCc1ccc([nH+]c1)N1CCCC1)[*:1]
Cc1noc(C)c1CN(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 C1CCN(C1)[*:1] Cc1noc(C)c1CN(C)C(=O)NCc1ccc([nH+]c1)[*:1]
O=C(C[NH+]1CCc2sccc2C1)Nc1ccc(C(=O)Nc2cccnc2)cc1 O=C(Nc1cccnc1)[*:1] O=C(C[NH+]1CCc2sccc2C1)Nc1ccc(cc1)[*:1]
O=C(C[NH+]1CCc2sccc2C1)Nc1ccc(C(=O)Nc2cccnc2)cc1 c1cncc(c1)[*:1] O=C(C[NH+]1CCc2sccc2C1)Nc1ccc(cc1)C(=O)N[*:1]
O=[N+]([O-])c1ccc(F)c(-c2nc(Cl)cc(C3CC3)n2)c1F O=[N+]([O-])[*:1] Fc1ccc(c(F)c1-c1nc(Cl)cc(n1)C1CC1)[*:1]
O=[N+]([O-])c1ccc(F)c(-c2nc(Cl)cc(C3CC3)n2)c1F C1CC1[*:1] O=[N+]([O-])c1ccc(F)c(-c2nc(Cl)cc(n2)[*:1])c1F
O=C1C[C@H](CNS(=O)(=O)c2ccc(F)cc2)CN1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@H](CNS(=O)(=O)c2ccc(F)cc2)CN1[*:1]
O=C1C[C@H](CNS(=O)(=O)c2ccc(F)cc2)CN1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@H](CNS(=O)(=O)[*:1])CN1c1ccc(F)cc1
COc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)-n1ncc(C(=O)N[*:1])c1-n1cccc1
COc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)c1cnn(c1-n1cccc1)[*:1]
COc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)cc1OC c1ccn(c1)[*:1] COc1ccc(cc1OC)NC(=O)c1cnn(-c2ccc(C)cc2)c1[*:1]
CSc1nnc(CCCNc2ncccc2C#N)n1C1CCCC1 C1CCC(C1)[*:1] CSc1nnc(CCCNc2ncccc2C#N)n1[*:1]
CSc1nnc(CCCNc2ncccc2C#N)n1C1CCCC1 N#Cc1cccnc1[*:1] CSc1nnc(CCCN[*:1])n1C1CCCC1
CC(C)(C)CCCCNC(=O)C(=O)Nc1cccnc1Br Brc1ncccc1[*:1] CC(C)(C)CCCCNC(=O)C(=O)N[*:1]
CC(C)(C)CCCCNC(=O)C(=O)Nc1cccnc1Br CC(C)(C)C[*:1] O=C(NCCC[*:1])C(=O)Nc1cccnc1Br
CC(C)(C)CCCCNC(=O)C(=O)Nc1cccnc1Br CC(C)(C)[*:1] O=C(NCCCC[*:1])C(=O)Nc1cccnc1Br
CC(C)(C)CCCCNC(=O)C(=O)Nc1cccnc1Br CC(C)(C)CCC[*:1] O=C(NC[*:1])C(=O)Nc1cccnc1Br
CC(C)(C)CCCCNC(=O)C(=O)Nc1cccnc1Br CC(C)(C)CC[*:1] O=C(NCC[*:1])C(=O)Nc1cccnc1Br
COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1OC O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(cc1OC)-n1c(=O)c2ccccc2n(C[*:1])c1=O
COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)-n1c(=O)c2ccccc2n(Cc2cccc(c2)[*:1])c1=O
COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1OC COc1ccc(cc1OC)[*:1] O=c1c2ccccc2n(Cc2cccc(c2)[N+](=O)[O-])c(=O)n1[*:1]
COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1OC O=[N+]([O-])c1cccc(c1)C[*:1] COc1ccc(cc1OC)-n1c(=O)c2ccccc2n(c1=O)[*:1]
CC1CCN(C(=O)N(CC[NH3+])C2CC2)CC1 [NH3+]CC[*:1] CC1CCN(CC1)C(=O)N(C1CC1)[*:1]
CC1CCN(C(=O)N(CC[NH3+])C2CC2)CC1 C1CC1[*:1] CC1CCN(CC1)C(=O)N(CC[NH3+])[*:1]
Cc1cc(C(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)c(C)n1C Cc1cc(c(C)n1C)[*:1] O=C(Cc1coc2cc3CCCc3cc12)OCC(=O)[*:1]
COc1ccc(OC)c(-c2noc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)n2)c1 Cc1cccc(c1)[*:1] COc1ccc(OC)c(c1)-c1noc(n1)N1CCN([C@@H](C)C1)[*:1]
O=C(NC1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
O=C(NC1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)[*:1]
O=C(NC1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1)c1ccccc1 O=C1CCCN1[*:1] O=C(NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1])c1ccccc1
Cc1cc(C(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2n1 O=[N+]([O-])[*:1] Cc1cc(C(=O)OCC(=O)c2ccc(Cl)c(c2)[*:1])c2ccccc2n1
COc1ccc(F)c(NC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1 C[S@@](=O)[*:1] COc1ccc(F)c(c1)NC(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
Cc1ccoc1C(=O)O[C@H](C)c1nc(C(C)(C)C)no1 Cc1ccoc1[*:1] C[C@@H](OC(=O)[*:1])c1nc(no1)C(C)(C)C
Cc1ccoc1C(=O)O[C@H](C)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] Cc1ccoc1C(=O)O[C@H](C)c1nc(no1)[*:1]
C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCCN(CC1CC1)C(=O)Nc1cc(NC(C)=O)ccc1Cl CC(=O)N[*:1] CCCN(CC1CC1)C(=O)Nc1cc(ccc1Cl)[*:1]
CCCN(CC1CC1)C(=O)Nc1cc(NC(C)=O)ccc1Cl C1CC1C[*:1] CCCN(C(=O)Nc1cc(ccc1Cl)NC(C)=O)[*:1]
CCCN(CC1CC1)C(=O)Nc1cc(NC(C)=O)ccc1Cl C1CC1[*:1] CCCN(C[*:1])C(=O)Nc1cc(ccc1Cl)NC(C)=O
CCCN(CC1CC1)C(=O)Nc1cc(NC(C)=O)ccc1Cl CCC[*:1] CC(=O)Nc1ccc(Cl)c(c1)NC(=O)N(CC1CC1)[*:1]
c1ccc([C@H]2CC[NH2+][C@H](C[NH+]3CCCC3)C2)cc1 c1ccc(cc1)[*:1] C1CC[NH+](C1)C[C@@H]1C[C@H](CC[NH2+]1)[*:1]
CC/C(=C\C(=O)c1cccnc1)Nc1cccc(O)c1 c1cncc(c1)[*:1] CC/C(=C\C(=O)[*:1])Nc1cccc(O)c1
Cc1nc(Cl)cc(NCC[C@H](O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc(Cl)cc(n1)NCC[C@H](O)[*:1]
C[C@@H](CS)CSc1nnnn1C C[C@@H](CS)[*:1] Cn1nnnc1SC[*:1]
C[C@H]([NH2+]CCCn1cccn1)c1cccnc1 c1cnn(c1)[*:1] C[C@H]([NH2+]CCC[*:1])c1cccnc1
COc1cc(F)cc([N-]S(=O)(=O)CCC2CC2)c1 C1CC1C[*:1] COc1cc(F)cc(c1)[N-]S(=O)(=O)C[*:1]
COc1cc(F)cc([N-]S(=O)(=O)CCC2CC2)c1 C1CC1[*:1] COc1cc(F)cc(c1)[N-]S(=O)(=O)CC[*:1]
COc1cc(F)cc([N-]S(=O)(=O)CCC2CC2)c1 C1CC1CC[*:1] COc1cc(F)cc(c1)[N-]S(=O)(=O)[*:1]
CC(C)(C)Oc1cc(C(=O)NCCNC(=O)c2cccnc2)ccn1 CC(C)(C)[*:1] O=C(NCCNC(=O)c1ccnc(c1)O[*:1])c1cccnc1
CC(C)(C)Oc1cc(C(=O)NCCNC(=O)c2cccnc2)ccn1 CC(C)(C)O[*:1] O=C(NCCNC(=O)c1ccnc(c1)[*:1])c1cccnc1
CC(C)(C)Oc1cc(C(=O)NCCNC(=O)c2cccnc2)ccn1 c1cncc(c1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NCCNC(=O)[*:1]
CC(C)CCOc1ccc(C(=O)NNC(=O)NC(C)C)cc1 CC(C)C[*:1] CC(C)NC(=O)NNC(=O)c1ccc(cc1)OC[*:1]
CC(C)CCOc1ccc(C(=O)NNC(=O)NC(C)C)cc1 CC(C)CC[*:1] CC(C)NC(=O)NNC(=O)c1ccc(cc1)O[*:1]
CC(C)CCOc1ccc(C(=O)NNC(=O)NC(C)C)cc1 CC(C)CCO[*:1] CC(C)NC(=O)NNC(=O)c1ccc(cc1)[*:1]
CC(C)CCOc1ccc(C(=O)NNC(=O)NC(C)C)cc1 CC(C)[*:1] CC(C)CCOc1ccc(cc1)C(=O)NNC(=O)N[*:1]
CC(C)CCOc1ccc(C(=O)NNC(=O)NC(C)C)cc1 CC(C)[*:1] CC(C)NC(=O)NNC(=O)c1ccc(cc1)OCC[*:1]
COc1ccncc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] COc1ccncc1NC(=O)Cc1coc(n1)[*:1]
COc1ccncc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 COc1ccncc1[*:1] O=C(Cc1coc(n1)-c1ccc(Cl)cc1)N[*:1]
COC(=O)c1cc(CNC(=O)N2CCC[C@H](CCO)C2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)N1CCC[C@H](CCO)C1
COC(=O)c1cc(CNC(=O)N2CCC[C@H](CCO)C2)oc1C OCC[*:1] COC(=O)c1cc(CNC(=O)N2CCC[C@H](C2)[*:1])oc1C
Cc1cnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)s1 Cc1cnc(s1)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CCCn1nnnc1C[S@@](=O)Cc1cc(Cl)ccc1Cl CCC[*:1] O=[S@@](Cc1cc(Cl)ccc1Cl)Cc1nnnn1[*:1]
O=C(CCC1CCN(C(=O)CN2CCCC2=O)CC1)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CCC1CCN(CC1)C(=O)CN1CCCC1=O)NC[*:1]
O=C(CCC1CCN(C(=O)CN2CCCC2=O)CC1)NCc1cccc(Cl)c1 O=C1CCCN1C[*:1] O=C(CCC1CCN(CC1)C(=O)[*:1])NCc1cccc(Cl)c1
O=C(CCC1CCN(C(=O)CN2CCCC2=O)CC1)NCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C(CCC1CCN(CC1)C(=O)CN1CCCC1=O)N[*:1]
O=C(CCC1CCN(C(=O)CN2CCCC2=O)CC1)NCc1cccc(Cl)c1 O=C1CCCN1[*:1] O=C(CCC1CCN(CC1)C(=O)C[*:1])NCc1cccc(Cl)c1
COCCN1CC[C@]2(CCC1=O)CN(C(=O)CCO)CCN2C COC[*:1] CN1CCN(C[C@]12CCC(=O)N(CC2)C[*:1])C(=O)CCO
COCCN1CC[C@]2(CCC1=O)CN(C(=O)CCO)CCN2C OCC[*:1] COCCN1CC[C@]2(CCC1=O)CN(CCN2C)C(=O)[*:1]
COCCN1CC[C@]2(CCC1=O)CN(C(=O)CCO)CCN2C COCC[*:1] CN1CCN(C[C@]12CCC(=O)N(CC2)[*:1])C(=O)CCO
CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)C1(C)C CCO[*:1] CC1(C)[C@H](C[C@H]1[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccccc2N2CCCC2)C1 C1CCN(C1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)C(=O)Nc1ccccc1[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC[C@@H](c2cn[nH]c2)C1 CC(C)(C)[*:1] O=C(Nc1ccnn1[*:1])C(=O)N1CCC[C@H](C1)c1cn[nH]c1
CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC[C@@H](c2cn[nH]c2)C1 c1n[nH]cc1[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CCCCCCC1 O=C(NCC(F)(F)F)[*:1] Cc1ccc(cc1NC(=O)N1CCCCCCC1)[*:1]
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CCCCCCC1 FC(F)(F)C[*:1] Cc1ccc(cc1NC(=O)N1CCCCCCC1)C(=O)N[*:1]
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CCCCCCC1 FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)N1CCCCCCC1)C(=O)NC[*:1]
Cc1cccc(CC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])Nc1cc(ncn1)N1CCN(CC1)c1ccccc1
Cc1cccc(CC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)c1 Cc1cccc(c1)C[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)c1ccccc1)[*:1]
Cc1cccc(CC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CC(=O)Nc1cc(ncn1)N1CCN(CC1)[*:1]
CSc1ccc(Cl)c(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 c1cncc(c1)[*:1] CSc1ccc(Cl)c(c1)C(=O)N(Cc1ccco1)C[*:1]
CSc1ccc(Cl)c(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 c1coc(c1)C[*:1] CSc1ccc(Cl)c(c1)C(=O)N(Cc1cccnc1)[*:1]
CSc1ccc(Cl)c(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 c1coc(c1)[*:1] CSc1ccc(Cl)c(c1)C(=O)N(Cc1cccnc1)C[*:1]
CSc1ccc(Cl)c(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 c1cncc(c1)C[*:1] CSc1ccc(Cl)c(c1)C(=O)N(Cc1ccco1)[*:1]
COc1ccc(/C=N/Nc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 Cc1cc(C)n(n1)[*:1] COc1ccc(/C=N/Nc2cc(nc(C)n2)[*:1])cc1
COc1ccc(/C=N/Nc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1cc(nc(C)n1)NN=C[*:1]
O=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O Brc1ccc(cc1)OC[*:1] O=C1c2ccc(cc2C(=O)N1C[C@H]1CCCO1)NC(=O)[*:1]
O=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O Brc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
O=C(COc1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O Brc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
COc1cc(Br)c([C@H]([NH3+])CC(C)(C)C)cc1OC CC(C)(C)C[*:1] COc1cc(Br)c(cc1OC)[C@H]([NH3+])[*:1]
COc1cc(Br)c([C@H]([NH3+])CC(C)(C)C)cc1OC CC(C)(C)[*:1] COc1cc(Br)c(cc1OC)[C@H]([NH3+])C[*:1]
O=C(NCCOCC(F)(F)F)Nc1ccccc1 FC(F)(F)CO[*:1] O=C(NCC[*:1])Nc1ccccc1
O=C(NCCOCC(F)(F)F)Nc1ccccc1 FC(F)(F)C[*:1] O=C(NCCO[*:1])Nc1ccccc1
O=C(NCCOCC(F)(F)F)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCOCC(F)(F)F)N[*:1]
O=C(NCCOCC(F)(F)F)Nc1ccccc1 FC(F)(F)[*:1] O=C(NCCOC[*:1])Nc1ccccc1
CCC1(CC)C(=O)OC(c2ccccc2)OC1=O c1ccc(cc1)[*:1] CCC1(CC)C(=O)OC(OC1=O)[*:1]
Cc1c(C(=O)O[C@@H](C)C(=O)NC2CC2)cnn1C O=C(NC1CC1)[*:1] Cc1c(cnn1C)C(=O)O[C@@H](C)[*:1]
Cc1c(C(=O)O[C@@H](C)C(=O)NC2CC2)cnn1C C1CC1[*:1] Cc1c(cnn1C)C(=O)O[C@@H](C)C(=O)N[*:1]
CCC(=O)N1CC[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)C1 O=[N+]([O-])[*:1] CCC(=O)N1CC[C@H](C1)C(=O)Nc1n[nH]c2ccc(cc12)[*:1]
O=C(OCc1ncc(-c2ccccc2)o1)c1nc(Cl)ccc1Cl c1ccc(cc1)[*:1] O=C(OCc1ncc(o1)[*:1])c1nc(Cl)ccc1Cl
CCC[C@@H](NCCc1nc2c(F)cccc2n1C)c1ccccn1 c1ccc(nc1)[*:1] CCC[C@@H](NCCc1nc2c(F)cccc2n1C)[*:1]
CCC[C@@H](NCCc1nc2c(F)cccc2n1C)c1ccccn1 CCC[*:1] Cn1c(CCN[C@@H](c2ccccn2)[*:1])nc2c(F)cccc21
Nc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ccc(cc1[*:1])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
CS(=O)(=O)[C@H]1CCC[C@H]([C@H](O)C2(c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[C@H](O)C1(CC1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H]([C@H](O)C2(c3ccccc3)CC2)C1 CS(=O)(=O)[*:1] O[C@@H]([C@H]1CCC[C@@H](C1)[*:1])C1(CC1)c1ccccc1
CC[C@H](C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccccc1 CC[C@H](c1ccccc1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)COC(=O)[*:1])c2C#N
CC[C@H](C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)OCC(=O)Nc1sc2C[C@@H](C)CCc2c1C#N)[*:1]
CSc1ccc(OCC[NH+]2CCC(OC3CCOCC3)CC2)cc1 C1CC(CCO1)[*:1] CSc1ccc(cc1)OCC[NH+]1CCC(CC1)O[*:1]
CSc1ccc(OCC[NH+]2CCC(OC3CCOCC3)CC2)cc1 CSc1ccc(cc1)[*:1] C1CC(CCO1)OC1CC[NH+](CCO[*:1])CC1
CSc1ccc(OCC[NH+]2CCC(OC3CCOCC3)CC2)cc1 C1CC(CCO1)O[*:1] CSc1ccc(cc1)OCC[NH+]1CCC(CC1)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)N(C)CC2CCC2)cc1 C1CC(C1)C[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)N(C)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)N(C)CC2CCC2)cc1 C1CC(C1)[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)N(C)C[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)N(C)CC2CCC2)cc1 CC(C)=C[*:1] CN(CC1CCC1)C(=O)c1ccc(cc1)CNC(=O)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)N(C)CC2CCC2)cc1 CC(C)=CC(=O)N[*:1] CN(CC1CCC1)C(=O)c1ccc(cc1)C[*:1]
C[NH+](Cc1ccccc1C(N)=S)C1CCC(C)(C)CC1 NC(=S)[*:1] C[NH+](Cc1ccccc1[*:1])C1CCC(C)(C)CC1
CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccccc2O)cc1 CC(C)NC(=O)N[*:1] O=C(Nc1ccccc1O)c1ccc(cc1)[*:1]
CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccccc2O)cc1 Oc1ccccc1[*:1] CC(C)NC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccccc2O)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)C(=O)Nc1ccccc1O)N[*:1]
CC(C)(C)OC(=O)n1c(-c2cc(Cl)ncn2)cc2cc(F)ccc21 Clc1cc(ncn1)[*:1] CC(C)(C)OC(=O)n1c(cc2cc(F)ccc21)[*:1]
CC(C)(C)OC(=O)n1c(-c2cc(Cl)ncn2)cc2cc(F)ccc21 CC(C)(C)[*:1] O=C(O[*:1])n1c(cc2cc(F)ccc21)-c1cc(Cl)ncn1
CC(C)[C@@H](NC[C@@H](C)c1ccc(F)c(F)c1)c1cccnc1 CC(C)[*:1] C[C@H](CN[C@@H](c1cccnc1)[*:1])c1ccc(F)c(F)c1
CC(C)[C@@H](NC[C@@H](C)c1ccc(F)c(F)c1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H](NC[C@@H](C)c1ccc(F)c(F)c1)[*:1]
CCCn1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)ccc1=O CCC[*:1] COc1ccc(cc1C(=O)Nc1ccc(=O)n(c1)[*:1])S(N)(=O)=O
CCCn1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)ccc1=O NS(=O)(=O)[*:1] CCCn1cc(ccc1=O)NC(=O)c1cc(ccc1OC)[*:1]
Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)[*:1]
CC(C)N(Cc1cccc(Cl)c1)C(=O)Cn1ccc(=O)n(C)c1=O Clc1cccc(c1)C[*:1] CC(C)N(C(=O)Cn1ccc(=O)n(C)c1=O)[*:1]
CC(C)N(Cc1cccc(Cl)c1)C(=O)Cn1ccc(=O)n(C)c1=O CC(C)[*:1] Cn1c(=O)ccn(CC(=O)N(Cc2cccc(Cl)c2)[*:1])c1=O
CC(C)N(Cc1cccc(Cl)c1)C(=O)Cn1ccc(=O)n(C)c1=O Clc1cccc(c1)[*:1] CC(C)N(C[*:1])C(=O)Cn1ccc(=O)n(C)c1=O
COc1cccc(CNC(=O)CSc2nc([O-])cc(-c3ccccc3)n2)c1 COc1cccc(c1)[*:1] O=C(CSc1nc([O-])cc(n1)-c1ccccc1)NC[*:1]
COc1cccc(CNC(=O)CSc2nc([O-])cc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)CSc1nc([O-])cc(n1)[*:1]
COc1cccc(CNC(=O)CSc2nc([O-])cc(-c3ccccc3)n2)c1 COc1cccc(c1)C[*:1] O=C(CSc1nc([O-])cc(n1)-c1ccccc1)N[*:1]
Cc1cnc([C@@H](NC(=O)C(=O)Nc2ccc(C)c(F)c2)C2CC2)s1 Cc1ccc(cc1F)[*:1] Cc1cnc(s1)[C@@H](NC(=O)C(=O)N[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)C(=O)Nc2ccc(C)c(F)c2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)C(=O)Nc1ccc(C)c(F)c1)[*:1]
Cc1cnc([C@@H](NC(=O)C(=O)Nc2ccc(C)c(F)c2)C2CC2)s1 Cc1cnc(s1)[*:1] Cc1ccc(cc1F)NC(=O)C(=O)N[C@@H](C1CC1)[*:1]
CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCSCC1 CC(C)[*:1] C[NH+](C)C[C@@H](C[*:1])NC(=O)N1CCSCC1
CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCSCC1 CC(C)C[*:1] C[NH+](C)C[C@H](NC(=O)N1CCSCC1)[*:1]
CCCc1cc(NC(=O)NCc2ccc(F)c(C)c2)n(C)n1 CCC[*:1] Cc1cc(ccc1F)CNC(=O)Nc1cc(nn1C)[*:1]
COCC[C@@H](O)Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] COCC[C@@H](O)Cc1nc(cs1)[*:1]
COCC[C@@H](O)Cc1nc(C(C)(C)C)cs1 COC[*:1] CC(C)(C)c1csc(C[C@H](O)C[*:1])n1
COCC[C@@H](O)Cc1nc(C(C)(C)C)cs1 COCC[*:1] CC(C)(C)c1csc(C[C@H](O)[*:1])n1
Brc1ccc2nc(NCCOC3CCCC3)sc2c1 C1CCC(C1)[*:1] Brc1ccc2nc(NCCO[*:1])sc2c1
Brc1ccc2nc(NCCOC3CCCC3)sc2c1 C1CCC(C1)O[*:1] Brc1ccc2nc(NCC[*:1])sc2c1
C[C@H](Br)C(=O)NCc1cccnc1 C[C@H](Br)[*:1] O=C(NCc1cccnc1)[*:1]
Cc1ccc(NC(=O)C2CC=CC2)c(OCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] Cc1ccc(NC(=O)C2CC=CC2)c(c1)O[*:1]
Cc1ccc(NC(=O)C2CC=CC2)c(OCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccc(NC(=O)C2CC=CC2)c(c1)OC[*:1]
Cc1ccc(NC(=O)C2CC=CC2)c(OCC(=O)N(C)C)c1 CN(C)C(=O)CO[*:1] Cc1ccc(NC(=O)C2CC=CC2)c(c1)[*:1]
Cc1cccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1C C1CC1[*:1] Cc1cccc(C(=O)Nc2ccc3nc(oc3c2)[*:1])c1C
Cc1csc(S[C@H]2CC[C@](C#N)(NC(C)C)C2)n1 Cc1csc(n1)[*:1] CC(C)N[C@@]1(C#N)CC[C@@H](C1)S[*:1]
Cc1csc(S[C@H]2CC[C@](C#N)(NC(C)C)C2)n1 CC(C)[*:1] Cc1csc(n1)S[C@H]1CC[C@@](C#N)(C1)N[*:1]
Cc1csc(S[C@H]2CC[C@](C#N)(NC(C)C)C2)n1 CC(C)N[*:1] Cc1csc(n1)S[C@H]1CC[C@](C#N)(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCC(F)F)CCC2=O)cc1C FC(F)C[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCC(F)F)CCC2=O)cc1C O=C(NCC(F)F)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCC(F)F)CCC2=O)cc1C FC(F)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)NC[*:1]
CC(C)[S@](=O)c1ccc(C(=O)NC[C@H](C)C[C@@H](C)O)cc1 CC(C)[S@](=O)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(cc1)[*:1]
CC(C)[S@](=O)c1ccc(C(=O)NC[C@H](C)C[C@@H](C)O)cc1 C[C@@H](O)C[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)NC[C@H](C)[*:1]
CC(C)[S@](=O)c1ccc(C(=O)NC[C@H](C)C[C@@H](C)O)cc1 C[C@@H](O)C[C@@H](C)C[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)N[*:1]
CC(C)[S@](=O)c1ccc(C(=O)NC[C@H](C)C[C@@H](C)O)cc1 C[C@@H](O)[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)NC[C@H](C)C[*:1]
CC(C)[S@](=O)c1ccc(C(=O)NC[C@H](C)C[C@@H](C)O)cc1 CC(C)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(cc1)[S@@](=O)[*:1]
CC(C)[S@](=O)c1ccc(C(=O)NC[C@H](C)C[C@@H](C)O)cc1 C[C@@H](O)C[C@@H](C)[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)NC[*:1]
COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1O Fc1ccc2nc(sc2c1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)c2ccco2)=C([O-])C(=O)N1[*:1]
COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1O O=C(c1ccco1)[*:1] COc1cc(ccc1O)[C@H]1C(=C([O-])C(=O)N1c1nc2ccc(F)cc2s1)[*:1]
COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1O COc1cc(ccc1O)[*:1] O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1[*:1])c1ccco1
COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1O c1coc(c1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nc2ccc(F)cc2s1
CCc1cccc(CC)c1NC(=O)c1ccsc1 c1cc(cs1)[*:1] CCc1cccc(CC)c1NC(=O)[*:1]
C[C@H]1CCc2sc3ncnc(N4CCN(C(=O)c5ccco5)CC4)c3c2C1 c1coc(c1)[*:1] C[C@H]1CCc2sc3ncnc(c3c2C1)N1CCN(CC1)C(=O)[*:1]
CNC(=O)CCc1ccc(NC(=O)COc2ccc(C)cc2C)cc1 Cc1ccc(c(C)c1)[*:1] CNC(=O)CCc1ccc(cc1)NC(=O)CO[*:1]
CNC(=O)CCc1ccc(NC(=O)COc2ccc(C)cc2C)cc1 CNC(=O)C[*:1] Cc1ccc(OCC(=O)Nc2ccc(cc2)C[*:1])c(C)c1
CNC(=O)CCc1ccc(NC(=O)COc2ccc(C)cc2C)cc1 CNC(=O)CC[*:1] Cc1ccc(OCC(=O)Nc2ccc(cc2)[*:1])c(C)c1
CNC(=O)CCc1ccc(NC(=O)COc2ccc(C)cc2C)cc1 CNC(=O)[*:1] Cc1ccc(OCC(=O)Nc2ccc(cc2)CC[*:1])c(C)c1
CCc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 CCc1ccccc1[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1ccc(cc1)C(F)(F)F
CCc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CCS(=O)(=O)CCC[C@@H](CBr)c1ccc(F)cc1 CCS(=O)(=O)[*:1] Fc1ccc(cc1)[C@H](CBr)CCC[*:1]
CCS(=O)(=O)CCC[C@@H](CBr)c1ccc(F)cc1 CCS(=O)(=O)C[*:1] Fc1ccc(cc1)[C@H](CBr)CC[*:1]
COCCOc1cc(C)ccc1NC(=O)[C@]1(C)CC1(Cl)Cl COC[*:1] Cc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)c(c1)OC[*:1]
COCCOc1cc(C)ccc1NC(=O)[C@]1(C)CC1(Cl)Cl COCC[*:1] Cc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)c(c1)O[*:1]
COCCOc1cc(C)ccc1NC(=O)[C@]1(C)CC1(Cl)Cl COCCO[*:1] Cc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)c(c1)[*:1]
C/C(=C/C(=O)NCC(C)(C)O)c1ccccc1 CC(C)(O)[*:1] C/C(=C/C(=O)NC[*:1])c1ccccc1
C/C(=C/C(=O)NCC(C)(C)O)c1ccccc1 CC(C)(O)C[*:1] C/C(=C/C(=O)N[*:1])c1ccccc1
O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1ccc(Br)cc1 FC(F)(F)O[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])Nc1ccc(Br)cc1
O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1ccc(Br)cc1 FC(F)(F)[*:1] O=C(COC(=O)c1ccc(cc1)O[*:1])Nc1ccc(Br)cc1
O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(COC(=O)c1ccc(cc1)OC(F)(F)F)N[*:1]
COc1ccc(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)c(OC)c1 O=C(O[*:1])C1CC1 COc1ccc(/C=C2\Oc3cc(ccc3C2=O)[*:1])c(c1)OC
COc1ccc(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)c(OC)c1 C1CC1[*:1] COc1ccc(/C=C2\Oc3cc(ccc3C2=O)OC(=O)[*:1])c(c1)OC
CCOc1ccccc1NC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 O=S(=O)(N1CCOCC1)[*:1] CCOc1ccccc1NC(=O)CN1C(=O)C(C)(C)c2cc(ccc21)[*:1]
CCOc1ccccc1NC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 CCO[*:1] CC1(C)C(=O)N(CC(=O)Nc2ccccc2[*:1])c2ccc(cc21)S(=O)(=O)N1CCOCC1
CCOc1ccccc1NC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 CCOc1ccccc1[*:1] CC1(C)C(=O)N(CC(=O)N[*:1])c2ccc(cc21)S(=O)(=O)N1CCOCC1
COc1ccccc1CCNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O COc1ccccc1C[*:1] CC1(C)CC(=O)c2c(O)cc(cc2O1)OCC(=O)NC[*:1]
COc1ccccc1CCNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O COc1ccccc1[*:1] CC1(C)CC(=O)c2c(O)cc(cc2O1)OCC(=O)NCC[*:1]
COC(=O)[C@@H](NC(=O)CCc1cccc(C)c1)C(C)C COC(=O)[*:1] Cc1cccc(c1)CCC(=O)N[C@@H](C(C)C)[*:1]
COC(=O)[C@@H](NC(=O)CCc1cccc(C)c1)C(C)C CC(C)[*:1] COC(=O)[C@@H](NC(=O)CCc1cccc(C)c1)[*:1]
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(C)c1C Cc1cccc(c1C)[*:1] COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[*:1]
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(C)c1C COC(=O)[*:1] Cc1cccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)[*:1])c1C
O=C(NCc1ccco1)[C@H]1CC(Cc2ccccc2Cl)=NO1 Clc1ccccc1[*:1] O=C(NCc1ccco1)[C@H]1CC(C[*:1])=NO1
O=C(NCc1ccco1)[C@H]1CC(Cc2ccccc2Cl)=NO1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H]1CC(Cc2ccccc2Cl)=NO1
O=C(NCc1ccco1)[C@H]1CC(Cc2ccccc2Cl)=NO1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H]1CC(Cc2ccccc2Cl)=NO1
CC(C)(Cc1cccc(Cl)c1)C(=O)OCc1cccnc1 c1cncc(c1)[*:1] CC(C)(Cc1cccc(Cl)c1)C(=O)OC[*:1]
CC(C)(Cc1cccc(Cl)c1)C(=O)OCc1cccnc1 c1cncc(c1)C[*:1] CC(C)(Cc1cccc(Cl)c1)C(=O)O[*:1]
CC(C)(Cc1cccc(Cl)c1)C(=O)OCc1cccnc1 Clc1cccc(c1)[*:1] CC(C)(C[*:1])C(=O)OCc1cccnc1
CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@@H]1C(=O)[O-] CC(C)[*:1] CCn1nc(cc1C(=O)N1CCCC[C@@H]1C(=O)[O-])[*:1]
CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CCn1nc(cc1C(=O)N1CCCC[C@H]1[*:1])C(C)C
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ccccn2)c1 c1ccc(nc1)S[*:1] Cc1cc(C)cc(c1)N(CCC#N)C(=O)C[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ccccn2)c1 N#CC[*:1] Cc1cc(C)cc(c1)N(C[*:1])C(=O)CSc1ccccn1
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cc(C)cc(c1)N(CCC#N)C(=O)CS[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ccccn2)c1 N#CCC[*:1] Cc1cc(C)cc(c1)N(C(=O)CSc1ccccn1)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)NCCc2ccc[nH]2)cc1 c1c[nH]c(c1)C[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)NC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)NCCc2ccc[nH]2)cc1 Cc1noc(C)c1C[*:1] O=C(NCCc1ccc[nH]1)c1ccc(cc1)O[*:1]
Cc1noc(C)c1COc1ccc(C(=O)NCCc2ccc[nH]2)cc1 c1c[nH]c(c1)CC[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N[*:1]
Cc1noc(C)c1COc1ccc(C(=O)NCCc2ccc[nH]2)cc1 c1c[nH]c(c1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)NCC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)NCCc2ccc[nH]2)cc1 Cc1noc(C)c1[*:1] O=C(NCCc1ccc[nH]1)c1ccc(cc1)OC[*:1]
NC(=O)Nc1ccc(C(=O)NCc2cccc(OCC(F)F)n2)cc1 FC(F)C[*:1] NC(=O)Nc1ccc(cc1)C(=O)NCc1cccc(n1)O[*:1]
NC(=O)Nc1ccc(C(=O)NCc2cccc(OCC(F)F)n2)cc1 FC(F)CO[*:1] NC(=O)Nc1ccc(cc1)C(=O)NCc1cccc(n1)[*:1]
NC(=O)Nc1ccc(C(=O)NCc2cccc(OCC(F)F)n2)cc1 NC(=O)N[*:1] O=C(NCc1cccc(n1)OCC(F)F)c1ccc(cc1)[*:1]
NC(=O)Nc1ccc(C(=O)NCc2cccc(OCC(F)F)n2)cc1 FC(F)[*:1] NC(=O)Nc1ccc(cc1)C(=O)NCc1cccc(n1)OC[*:1]
CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC)cc2)cc1 CCO[*:1] COc1ccc(/C=N/n2c(n[nH]c2=S)-c2ccc(cc2)[*:1])cc1
CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1n[nH]c(=S)n1N=C[*:1]
Cc1noc(C)c1C(=O)N1CCC[C@H](c2c(C)c(=O)nc3n2CCC3)C1 Cc1noc(C)c1[*:1] Cc1c([C@H]2CCCN(C2)C(=O)[*:1])n2CCCc2nc1=O
C[NH2+]C/C(=C\c1ccc(Br)s1)C(C)C CC(C)[*:1] C[NH2+]C/C(=C\c1ccc(Br)s1)[*:1]
CC(C)(C)c1cc(C(=O)NCc2nc(-c3ccncc3)no2)[nH]n1 c1cc(ccn1)[*:1] CC(C)(C)c1cc([nH]n1)C(=O)NCc1nc(no1)[*:1]
CC(C)(C)c1cc(C(=O)NCc2nc(-c3ccncc3)no2)[nH]n1 CC(C)(C)[*:1] O=C(NCc1nc(no1)-c1ccncc1)c1cc(n[nH]1)[*:1]
COc1ccc(NC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)N1CC[C@H](NC(=O)N[*:1])C1=O
COc1ccc(NC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)N[C@H]1CCN(C1=O)[*:1]
Cc1ccc2occ(/C=N/NC(=O)CCC(=O)Nc3ccc(C(=O)[O-])cc3)c(=O)c2c1 O=C([O-])[*:1] Cc1ccc2occ(/C=N/NC(=O)CCC(=O)Nc3ccc(cc3)[*:1])c(=O)c2c1
Cc1ccc2occ(/C=N/NC(=O)CCC(=O)Nc3ccc(C(=O)[O-])cc3)c(=O)c2c1 O=C([O-])c1ccc(cc1)[*:1] Cc1ccc2occ(/C=N/NC(=O)CCC(=O)N[*:1])c(=O)c2c1
COc1ccccc1C1=NN(C(=O)CN2CCc3ccccc3C2)[C@H](c2cccc(F)c2)C1 c1ccc2CN(CCc2c1)[*:1] COc1ccccc1C1C[C@@H](c2cccc(F)c2)N(N=1)C(=O)C[*:1]
COc1ccccc1C1=NN(C(=O)CN2CCc3ccccc3C2)[C@H](c2cccc(F)c2)C1 c1ccc2CN(CCc2c1)C[*:1] COc1ccccc1C1C[C@@H](c2cccc(F)c2)N(N=1)C(=O)[*:1]
COc1ccccc1C1=NN(C(=O)CN2CCc3ccccc3C2)[C@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] COc1ccccc1C1C[C@@H](N(N=1)C(=O)CN1CCc2ccccc2C1)[*:1]
COc1ccccc1C1=NN(C(=O)CN2CCc3ccccc3C2)[C@H](c2cccc(F)c2)C1 COc1ccccc1[*:1] O=C(CN1CCc2ccccc2C1)N1N=C(C[C@H]1c1cccc(F)c1)[*:1]
Cc1nc([C@@H](NC(=O)[C@]2(C)CCCO2)c2ccc(Cl)cc2)no1 Cc1nc(no1)[*:1] C[C@]1(CCCO1)C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1nc([C@@H](NC(=O)[C@]2(C)CCCO2)c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1nc(no1)[C@@H](NC(=O)[C@]1(C)CCCO1)[*:1]
C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1 NC(=O)[*:1] C[C@H]1C[C@@H](c2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1)[*:1]
C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)[*:1]
CC(=O)N1CCc2ccccc2[C@H]1C/C([O-])=N/S(=O)(=O)CCCF FCCC[*:1] CC(=O)N1CCc2ccccc2[C@H]1C/C([O-])=N/S(=O)(=O)[*:1]
CC(=O)N1CCc2ccccc2[C@H]1C/C([O-])=N/S(=O)(=O)CCCF FCC[*:1] CC(=O)N1CCc2ccccc2[C@H]1C/C([O-])=N/S(=O)(=O)C[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 O=c1[nH]nc(c2ccccc12)[*:1] O=C(C[*:1])O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1
O=C(Cc1n[nH]c(=O)c2ccccc12)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)O[C@@H](C(=O)c1c[nH]c2ccccc12)[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)O[C@@H](C(=O)[*:1])c1ccccc1
O=C(Cc1n[nH]c(=O)c2ccccc12)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 O=C(c1c[nH]c2ccccc12)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)O[C@@H](c1ccccc1)[*:1]
COc1cc(C(C)=O)ccc1OC(=O)c1cc2cnn(C(C)C)c2nc1C CC(=O)[*:1] COc1cc(ccc1OC(=O)c1cc2cnn(c2nc1C)C(C)C)[*:1]
COc1cc(C(C)=O)ccc1OC(=O)c1cc2cnn(C(C)C)c2nc1C CC(C)[*:1] COc1cc(ccc1OC(=O)c1cc2cnn(c2nc1C)[*:1])C(C)=O
N#Cc1cccnc1NCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] N#Cc1cccnc1NCc1ccc(cc1)[*:1]
CCC[C@H]1C[NH2+]CC[C@]12CCC[C@H](C(F)(F)F)C2 FC(F)(F)[*:1] CCC[C@H]1C[NH2+]CC[C@]12CCC[C@H](C2)[*:1]
CCC[C@H]1C[NH2+]CC[C@]12CCC[C@H](C(F)(F)F)C2 CCC[*:1] FC(F)(F)[C@H]1CCC[C@]2(CC[NH2+]C[C@@H]2[*:1])C1
CCC(CC)C(=O)N1Cc2nn(-c3ccc(C)cc3)c(-n3cccc3)c2C1 CCC(CC)[*:1] Cc1ccc(cc1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
CCC(CC)C(=O)N1Cc2nn(-c3ccc(C)cc3)c(-n3cccc3)c2C1 c1ccn(c1)[*:1] CCC(CC)C(=O)N1Cc2nn(-c3ccc(C)cc3)c(c2C1)[*:1]
CCC(CC)C(=O)N1Cc2nn(-c3ccc(C)cc3)c(-n3cccc3)c2C1 Cc1ccc(cc1)[*:1] CCC(CC)C(=O)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
CS(=O)(=O)N1CCC2(CC1)SCC(=O)N2c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCC2(CC1)SCC(=O)N2[*:1]
NS(=O)(=O)c1ccc2c(c1)N(Cc1nc3ccccc3s1)CCC2 NS(=O)(=O)[*:1] c1ccc2sc(CN3CCCc4ccc(cc43)[*:1])nc2c1
CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(-c3ccc(C)cc3)o2)C1 CCOC(=O)[*:1] Cc1ccc(cc1)-c1nnc(CCC(=O)N2CCC[C@H](C2)[*:1])o1
CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(-c3ccc(C)cc3)o2)C1 Cc1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)CCc1nnc(o1)[*:1]
CCNC(=O)CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C CCNC(=O)[*:1] Cc1nn(CC(=O)NC[*:1])c(C)c1[N+](=O)[O-]
CCNC(=O)CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C CCNC(=O)C[*:1] Cc1nn(CC(=O)N[*:1])c(C)c1[N+](=O)[O-]
CCNC(=O)CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CCNC(=O)CNC(=O)Cn1nc(C)c(c1C)[*:1]
O=C(NCc1ccccc1Cn1ccnc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 c1cn(cn1)C[*:1] O=C(NCc1ccccc1[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
O=C(NCc1ccccc1Cn1ccnc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] O=C(NCc1ccccc1Cn1ccnc1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(NCc1ccccc1Cn1ccnc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 c1cn(cn1)[*:1] O=C(NCc1ccccc1C[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
CC[C@H](NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)N1CCCC[C@H](C1)N1CC[NH+](C)CC1)[*:1]
O=C(COc1ccc(Br)cc1F)NCC(=O)Nc1ccc(F)c(F)c1 Fc1cc(Br)ccc1[*:1] O=C(CO[*:1])NCC(=O)Nc1ccc(F)c(F)c1
O=C(COc1ccc(Br)cc1F)NCC(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(COc1ccc(Br)cc1F)NCC(=O)N[*:1]
CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1C Fc1ccccc1[*:1] CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(n2-c2ccccc2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1C CC(=O)c1c(C)[nH]c(c1C)[*:1] O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1C c1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3F)n2[*:1])c1C
O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccc(cc1)O[*:1]
O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccc(cc1)[*:1]
Cc1ccsc1C(=O)N1CCCc2cc(F)ccc21 Cc1ccsc1[*:1] O=C(N1CCCc2cc(F)ccc21)[*:1]
O=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(Cn1nc(ccc1=O)-c1cccc(Br)c1)N[*:1]
O=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)Nc1cccc(Cl)c1Cl Brc1cccc(c1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1cccc(Cl)c1Cl
Cc1cc([C@@](C)(O)CNC(=O)NCc2sccc2C)c(C)o1 Cc1ccsc1[*:1] Cc1cc(c(C)o1)[C@@](C)(O)CNC(=O)NC[*:1]
Cc1cc([C@@](C)(O)CNC(=O)NCc2sccc2C)c(C)o1 Cc1ccsc1C[*:1] Cc1cc(c(C)o1)[C@@](C)(O)CNC(=O)N[*:1]
Cc1cc([C@@](C)(O)CNC(=O)NCc2sccc2C)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1ccsc1CNC(=O)NC[C@@](C)(O)[*:1]
Cn1[nH]c(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)cc1=O Cn1[nH]c(cc1=O)[*:1] O=C(NCC[*:1])[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl
CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCC1 O=[N+]([O-])[*:1] CC(C)N(C(=O)c1cc(ccc1Cl)[*:1])C1CCC1
CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCC1 CC(C)[*:1] O=C(c1cc(ccc1Cl)[N+](=O)[O-])N(C1CCC1)[*:1]
CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)c1cc(ccc1Cl)[N+](=O)[O-])[*:1]
COc1cccc(NC(=O)CN(C)C(=O)CSc2ccc(F)cc2)c1 Fc1ccc(cc1)S[*:1] COc1cccc(c1)NC(=O)CN(C)C(=O)C[*:1]
COc1cccc(NC(=O)CN(C)C(=O)CSc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CN(C)C(=O)CS[*:1]
COc1cccc(NC(=O)CN(C)C(=O)CSc2ccc(F)cc2)c1 COc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)CSc1ccc(F)cc1
CC(C)C[C@H](C)CC(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] CC(C)C[C@H](C)CC(=O)N1CCCc2cc(ccc21)[*:1]
CC(C)C[C@H](C)CC(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 CC(C)[*:1] C[C@H](CC(=O)N1CCCc2cc(ccc21)S(C)(=O)=O)C[*:1]
CC(C)C[C@H](C)CC(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 CC(C)C[*:1] C[C@H](CC(=O)N1CCCc2cc(ccc21)S(C)(=O)=O)[*:1]
O=C(CCc1cccs1)N1CCN(Cc2cccs2)CC1 c1csc(c1)CC[*:1] O=C(N1CCN(CC1)Cc1cccs1)[*:1]
O=C(CCc1cccs1)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1cccs1
O=C(CCc1cccs1)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cccs1
O=C(CCc1cccs1)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] O=C(CCc1cccs1)N1CCN(CC1)C[*:1]
O=C(CCc1cccs1)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C(CCc1cccs1)N1CCN(CC1)[*:1]
CC[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[*:1]
CC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1NCc1ccccn1 c1ccc(nc1)[*:1] CC1C(=NS(=O)(=O)C=1c1cccc(Br)c1)NC[*:1]
CC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1NCc1ccccn1 c1ccc(C[*:1])nc1 CC1C(=NS(=O)(=O)C=1c1cccc(Br)c1)N[*:1]
CC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1NCc1ccccn1 Brc1cccc(c1)[*:1] CC1C(=NS(=O)(=O)C=1[*:1])NCc1ccccn1
CCCOc1ncnc(Nc2ccc(C)cc2Br)c1N CCC[*:1] Cc1ccc(Nc2ncnc(O[*:1])c2N)c(Br)c1
CCCOc1ncnc(Nc2ccc(C)cc2Br)c1N CCCO[*:1] Cc1ccc(Nc2ncnc(c2N)[*:1])c(Br)c1
COc1ccccc1COC1CCN(C(=O)[C@@H]2CCCOC2)CC1 COc1ccccc1[*:1] O=C([C@@H]1CCCOC1)N1CCC(CC1)OC[*:1]
O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2CCCCc12)N[*:1]
Cc1cccc(-c2nnc(COC(=O)C=C(C3CC3)C3CC3)o2)c1 C(=C(C1CC1)C1CC1)[*:1] Cc1cccc(c1)-c1nnc(COC(=O)[*:1])o1
Cc1cccc(-c2nnc(COC(=O)C=C(C3CC3)C3CC3)o2)c1 Cc1cccc(c1)[*:1] O=C(C=C(C1CC1)C1CC1)OCc1nnc(o1)[*:1]
Cc1cccc(-c2nnc(COC(=O)C=C(C3CC3)C3CC3)o2)c1 C1CC1[*:1] Cc1cccc(c1)-c1nnc(COC(=O)C=C(C2CC2)[*:1])o1
O=c1nc(NC2CCCC2)ccn1Cc1cccc(Br)c1 C1CCC(C1)N[*:1] O=c1nc(ccn1Cc1cccc(Br)c1)[*:1]
O=c1nc(NC2CCCC2)ccn1Cc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=c1nc(ccn1C[*:1])NC1CCCC1
O=c1nc(NC2CCCC2)ccn1Cc1cccc(Br)c1 C1CCC(C1)[*:1] O=c1nc(ccn1Cc1cccc(Br)c1)N[*:1]
N#Cc1c(NC(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)sc2c1CCC2 N#Cc1c(sc2CCCc21)[*:1] O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)N[*:1]
N#Cc1c(NC(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)sc2c1CCC2 c1ccc(cc1)[*:1] N#Cc1c(NC(=O)CSc2nnc3n(c(=O)c4ccccc4n23)[*:1])sc2CCCc21
CO[C@H](CNC(=O)c1ccc(-n2cc(C)cn2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)c1ccc(cc1)-n1cc(C)cn1)[*:1]
CO[C@H](CNC(=O)c1ccc(-n2cc(C)cn2)cc1)c1ccc(F)cc1 Cc1cnn(c1)[*:1] CO[C@H](CNC(=O)c1ccc(cc1)[*:1])c1ccc(F)cc1
O=C1CCCN1c1ccc(S(=O)(=O)NCCn2ccnc2)cc1 c1cn(cn1)C[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)NC[*:1]
O=C1CCCN1c1ccc(S(=O)(=O)NCCn2ccnc2)cc1 O=C1CCCN1[*:1] O=S(=O)(NCCn1ccnc1)c1ccc(cc1)[*:1]
O=C1CCCN1c1ccc(S(=O)(=O)NCCn2ccnc2)cc1 c1cn(cn1)[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)NCC[*:1]
O=C1CCCN1c1ccc(S(=O)(=O)NCCn2ccnc2)cc1 c1cn(cn1)CC[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)N[*:1]
CCn1nc(C(=O)NNC(=O)c2cnn(C)c2-n2cccc2)c2ccccc2c1=O c1ccn(c1)[*:1] CCn1nc(C(=O)NNC(=O)c2cnn(C)c2[*:1])c2ccccc2c1=O
CCOC(=O)c1cnc(SC)nc1Nc1cccc(F)c1 CCOC(=O)[*:1] CSc1ncc(c(n1)Nc1cccc(F)c1)[*:1]
CCOC(=O)c1cnc(SC)nc1Nc1cccc(F)c1 Fc1cccc(c1)[*:1] CCOC(=O)c1cnc(nc1N[*:1])SC
C[NH+](C)[C@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)Cc1coc(n1)[*:1])c1ccc(F)cc1
C[NH+](C)[C@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)Cc1coc(n1)-c1ccccc1)[*:1]
CCC(=O)N1CCc2cc(C(=O)N[C@@H](C)c3ccc(C)c(F)c3)ccc21 Cc1ccc(cc1F)[*:1] CCC(=O)N1CCc2cc(ccc21)C(=O)N[C@@H](C)[*:1]
CCCc1n[nH]c([C@H]2CN(C(=O)c3ccc(=O)n(CC)n3)CCO2)n1 CCC[*:1] CCn1nc(ccc1=O)C(=O)N1CCO[C@H](C1)c1nc(n[nH]1)[*:1]
CCCc1n[nH]c([C@H]2CN(C(=O)c3ccc(=O)n(CC)n3)CCO2)n1 CCCc1n[nH]c(n1)[*:1] CCn1nc(ccc1=O)C(=O)N1CCO[C@H](C1)[*:1]
Nc1ccccc1-c1nc(-c2ccco2)no1 c1coc(c1)[*:1] Nc1ccccc1-c1nc(no1)[*:1]
Cc1cccnc1Nc1ncnc(NNC(=O)c2ccccc2F)c1N Cc1cccnc1N[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1ccccc1F
Cc1cccnc1Nc1ncnc(NNC(=O)c2ccccc2F)c1N Cc1cccnc1[*:1] Nc1c(ncnc1N[*:1])NNC(=O)c1ccccc1F
Cc1cccnc1Nc1ncnc(NNC(=O)c2ccccc2F)c1N Fc1ccccc1[*:1] Cc1cccnc1Nc1ncnc(NNC(=O)[*:1])c1N
NC(=O)c1cc(Cl)ccc1NC(=O)C[C@@H]1CCCO1 NC(=O)[*:1] O=C(C[C@@H]1CCCO1)Nc1ccc(Cl)cc1[*:1]
NC(=O)c1cc(Cl)ccc1NC(=O)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] NC(=O)c1cc(Cl)ccc1NC(=O)[*:1]
NC(=O)c1cc(Cl)ccc1NC(=O)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] NC(=O)c1cc(Cl)ccc1NC(=O)C[*:1]
C[C@@H](Oc1ccccc1)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
C[C@@H](Oc1ccccc1)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
Cc1ccc([C@H](O)CN2CC[NH+](CCO)CC2)cc1C OCC[*:1] Cc1ccc(cc1C)[C@H](O)CN1CC[NH+](CC1)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-c2ncco2)c1 c1coc(n1)[*:1] Cc1cc(C)c(c(C)c1C(=O)Nc1cccc(c1)[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-c2ncco2)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)Nc1cccc(c1)-c1ncco1)[*:1]
O=C(NCCCCNc1cccc[nH+]1)c1cc[nH]n1 c1cc(n[nH]1)[*:1] O=C(NCCCCNc1cccc[nH+]1)[*:1]
CC(C)[C@@H](C)SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 CC(C)[*:1] C[C@@H](SCC(=O)[C@H](C#N)c1nc(cs1)-c1ccccc1)[*:1]
CC(C)[C@@H](C)SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] CC(C)[C@@H](C)SCC(=O)[C@H](C#N)c1nc(cs1)[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccccc1CC(F)(F)F Cc1n[nH]c(C)c1C[*:1] C[C@H](C(=O)Nc1ccccc1CC(F)(F)F)[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccccc1CC(F)(F)F Cc1n[nH]c(C)c1[*:1] C[C@@H](C[*:1])C(=O)Nc1ccccc1CC(F)(F)F
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccccc1CC(F)(F)F FC(F)(F)C[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccccc1[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccccc1CC(F)(F)F FC(F)(F)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccccc1C[*:1]
O=C([O-])COc1cccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c1 O=C([O-])CO[*:1] O=C1S/C(=C\c2cccc(c2)[*:1])C(=O)N1c1cccc(Cl)c1
O=C([O-])COc1cccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c1 O=C([O-])[*:1] O=C1S/C(=C\c2cccc(c2)OC[*:1])C(=O)N1c1cccc(Cl)c1
O=C([O-])COc1cccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c1 O=C([O-])C[*:1] O=C1S/C(=C\c2cccc(c2)O[*:1])C(=O)N1c1cccc(Cl)c1
O=C([O-])COc1cccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c1 Clc1cccc(c1)[*:1] O=C([O-])COc1cccc(/C=C2\SC(=O)N(C2=O)[*:1])c1
CNC(=O)c1cccc(NC(=O)N[C@H]2CCC[C@H](C)C2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)N[C@H]1CCC[C@H](C)C1
COCCn1c(SCC(=O)NC2CCCC2)nc2ccc(Br)cc2c1=O COCC[*:1] O=C(CSc1nc2ccc(Br)cc2c(=O)n1[*:1])NC1CCCC1
COCCn1c(SCC(=O)NC2CCCC2)nc2ccc(Br)cc2c1=O O=C(NC1CCCC1)[*:1] COCCn1c(nc2ccc(Br)cc2c1=O)SC[*:1]
COCCn1c(SCC(=O)NC2CCCC2)nc2ccc(Br)cc2c1=O C1CCC(C1)[*:1] COCCn1c(nc2ccc(Br)cc2c1=O)SCC(=O)N[*:1]
COCCn1c(SCC(=O)NC2CCCC2)nc2ccc(Br)cc2c1=O COC[*:1] O=C(CSc1nc2ccc(Br)cc2c(=O)n1C[*:1])NC1CCCC1
c1csc(Cc2noc(C3C[NH2+]C3)n2)c1 c1csc(c1)[*:1] C1[NH2+]CC1c1nc(C[*:1])no1
Cc1n[nH]c(Cc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)n1 Cc1n[nH]c(C[*:1])n1 O=C(Nc1ccc(cc1)[*:1])c1n[nH]c2ccccc12
CC[C@@H]1CCc2c(sc(=O)n2CN(C)Cc2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CC[C@@H]1CCc2c(C1)sc(=O)n2CN(C)C[*:1]
CCC[NH+]1CCCN(Cc2cn(C)nc2-c2ccncc2)CC1 CCC[*:1] Cn1cc(CN2CCC[NH+](CC2)[*:1])c(n1)-c1ccncc1
CCC[NH+]1CCCN(Cc2cn(C)nc2-c2ccncc2)CC1 c1cc(ccn1)[*:1] CCC[NH+]1CCCN(CC1)Cc1cn(C)nc1[*:1]
Cc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
Cc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)c1 Cc1cccc(c1)[*:1] O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21)N[*:1]
C=C(C)C[C@@H]([NH2+]C)C(CC)(CC)c1ccccc1 C=C(C)[*:1] CCC(CC)(c1ccccc1)[C@@H](C[*:1])[NH2+]C
C=C(C)C[C@@H]([NH2+]C)C(CC)(CC)c1ccccc1 C=C(C)C[*:1] CCC(CC)(c1ccccc1)[C@H]([NH2+]C)[*:1]
C=C(C)C[C@@H]([NH2+]C)C(CC)(CC)c1ccccc1 c1ccc(cc1)[*:1] C=C(C)C[C@@H]([NH2+]C)C(CC)(CC)[*:1]
Cc1nc(C)n([C@H]2CCCN(C(=O)c3csc(CC(C)C)n3)C2)n1 Cc1nc(C)n(n1)[*:1] CC(C)Cc1nc(cs1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1nc(C)n([C@H]2CCCN(C(=O)c3csc(CC(C)C)n3)C2)n1 CC(C)[*:1] Cc1nc(C)n(n1)[C@H]1CCCN(C1)C(=O)c1csc(C[*:1])n1
Cc1nc(C)n([C@H]2CCCN(C(=O)c3csc(CC(C)C)n3)C2)n1 CC(C)C[*:1] Cc1nc(C)n(n1)[C@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccc(F)c(F)c3F)CC2)c1C Cc1cc(C)c(C)c(c1C)[*:1] C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccc(F)c(F)c3F)CC2)c1C Fc1ccc(c(F)c1F)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
COCCCNS(=O)(=O)c1ccc2ccccc2c1 COCCC[*:1] O=S(=O)(N[*:1])c1ccc2ccccc2c1
COCCCNS(=O)(=O)c1ccc2ccccc2c1 COCC[*:1] O=S(=O)(NC[*:1])c1ccc2ccccc2c1
COCCCNS(=O)(=O)c1ccc2ccccc2c1 COC[*:1] O=S(=O)(NCC[*:1])c1ccc2ccccc2c1
COc1cccc(/C=C/C(=O)OCC(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] COc1cccc(/C=C/C(=O)OC[*:1])c1
COc1cccc(/C=C/C(=O)OCC(=O)NC2CC2)c1 C1CC1[*:1] COc1cccc(/C=C/C(=O)OCC(=O)N[*:1])c1
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccncc1 c1cc(ccn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccncc1 c1cc(ccn1)C[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccncc1 CC(C)(C)[*:1] O=C(NCc1ccncc1)[C@@H]1CCCN1C(=O)O[*:1]
CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 Clc1ccccc1[*:1] CSc1cccc(c1)NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 CSc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1ccccc1Cl
O=C(N[C@H]1CCc2ccc(F)cc21)N[C@@H](CO)c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] O=C(N[C@H]1CCc2ccc(F)cc21)N[C@@H](CO)[*:1]
O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl Brc1ccc(cc1)[*:1] O=C(N[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1
O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1ccc(Br)cc1)c1cc(c(Cl)cc1Cl)[*:1]
Cn1cnc(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 CC(C)(C)[*:1] Cn1cnc(C[NH2+]C[C@H]2CCCN(C2)C(=O)O[*:1])n1
Cn1cnc(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 Cn1cnc(n1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[*:1])C1
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)[*:1]
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1ccccn1 C[C@H](c1ccccn1)[*:1] C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[*:1]
C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)[C@H](C)c1ccccn1 N#CC[*:1] C[C@H](c1ccccn1)N(C)C(=O)Nc1ccccc1S[C@@H](C)[*:1]
COC(=O)CCSCc1ccc(Cl)c(Cl)c1 COC(=O)C[*:1] Clc1ccc(cc1Cl)CSC[*:1]
COC(=O)CCSCc1ccc(Cl)c(Cl)c1 COC(=O)[*:1] Clc1ccc(cc1Cl)CSCC[*:1]
CCCC(=O)Nc1sc2c(c1C(=O)OC)CC(C)(C)[NH2+]C2(C)C CCC[*:1] COC(=O)c1c(NC(=O)[*:1])sc2c1CC(C)(C)[NH2+]C2(C)C
CCCC(=O)Nc1sc2c(c1C(=O)OC)CC(C)(C)[NH2+]C2(C)C COC(=O)[*:1] CCCC(=O)Nc1sc2c(CC(C)(C)[NH2+]C2(C)C)c1[*:1]
CCCC(=O)Nc1sc2c(c1C(=O)OC)CC(C)(C)[NH2+]C2(C)C CCCC(=O)N[*:1] COC(=O)c1c(sc2c1CC(C)(C)[NH2+]C2(C)C)[*:1]
CCCCNC(=O)N[C@H](C)c1ccccn1 CCC[*:1] C[C@@H](NC(=O)NC[*:1])c1ccccn1
CCCCNC(=O)N[C@H](C)c1ccccn1 CCCC[*:1] C[C@@H](NC(=O)N[*:1])c1ccccn1
O=C(Nc1ncccn1)c1ccc2c(c1)OCO2 c1cnc(nc1)[*:1] O=C(N[*:1])c1ccc2OCOc2c1
C[C@H]1CN(Cc2ccccc2C[NH2+]Cc2cn(C)nc2C(C)(C)C)C[C@@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(Cc2ccccc2C[NH2+]Cc2cn(C)nc2[*:1])C[C@@H](C)O1
C[C@H]1CN(Cc2ccccc2C[NH2+]Cc2cn(C)nc2C(C)(C)C)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)C[*:1] Cn1cc(C[NH2+]Cc2ccccc2[*:1])c(n1)C(C)(C)C
NC(=O)[C@@H]1CN(CC(=O)Nc2nc(-c3cccs3)cs2)CCO1 c1csc(c1)[*:1] NC(=O)[C@@H]1CN(CCO1)CC(=O)Nc1nc(cs1)[*:1]
NC(=O)[C@@H]1CN(CC(=O)Nc2nc(-c3cccs3)cs2)CCO1 NC(=O)[*:1] O=C(CN1CCO[C@@H](C1)[*:1])Nc1nc(cs1)-c1cccs1
Cc1cccc(NC(=O)NNC(=O)Cc2ccc3ccccc3c2)c1 Cc1cccc(c1)[*:1] O=C(Cc1ccc2ccccc2c1)NNC(=O)N[*:1]
Cc1ccc(-n2cnnc2S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H](Sc1nncn1[*:1])c1nc2ccccc2c(=O)[nH]1
COc1ccc(NC(=O)CSc2nnc(NC3CCCCC3)s2)cc1 C1CCC(CC1)N[*:1] COc1ccc(cc1)NC(=O)CSc1nnc(s1)[*:1]
COc1ccc(NC(=O)CSc2nnc(NC3CCCCC3)s2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)NC(=O)CSc1nnc(N[*:1])s1
COc1ccc(NC(=O)CSc2nnc(NC3CCCCC3)s2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc(NC2CCCCC2)s1)N[*:1]
C[C@@H](C[NH+]1CCCCCC1)NCc1noc(C2CCCC2)n1 C1CCC(C1)[*:1] C[C@@H](C[NH+]1CCCCCC1)NCc1noc(n1)[*:1]
C#CC[C@@H](C)OC(=O)[C@H](C)NC(=O)CC1CCCCC1 C#CC[*:1] C[C@H](NC(=O)CC1CCCCC1)C(=O)O[C@H](C)[*:1]
C#CC[C@@H](C)OC(=O)[C@H](C)NC(=O)CC1CCCCC1 C1CCC(CC1)[*:1] C#CC[C@@H](C)OC(=O)[C@H](C)NC(=O)C[*:1]
[NH3+]C1CCN(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 O=C([O-])C[*:1] [NH3+]C1CCN(CC1)CC(=O)N1CCO[C@H](C1)[*:1]
[NH3+]C1CCN(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 O=C([O-])[*:1] [NH3+]C1CCN(CC1)CC(=O)N1CCO[C@@H](C1)C[*:1]
Cc1ccc(-n2c(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nnc2N2CCCCC2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCCCC1)S[C@H](C)c1nnc(o1)[*:1]
Cc1ccc(-n2c(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nnc2N2CCCCC2)cc1 C1CCN(CC1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])S[C@H](C)c1nnc(o1)-c1ccc(cc1)[N+](=O)[O-]
Cc1ccc(-n2c(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nnc2N2CCCCC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(N2CCCCC2)n1[*:1])c1nnc(o1)-c1ccc(cc1)[N+](=O)[O-]
Cc1ccc(-n2c(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nnc2N2CCCCC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCCCC1)S[C@H](C)c1nnc(o1)-c1ccc(cc1)[*:1]
CC(C)(CNC(=O)c1ccc(CCl)cc1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNC(=O)c1ccc(cc1)CCl)[*:1]
Cc1c(C(=O)O[C@H]2CC[C@@H](S(C)(=O)=O)C2)oc2c(Cl)cccc12 CS(=O)(=O)[*:1] Cc1c(oc2c(Cl)cccc12)C(=O)O[C@H]1CC[C@@H](C1)[*:1]
OC[C@H]([NH2+]Cc1cccc(C2CC2)c1)c1ccccc1 c1ccc(cc1)[*:1] OC[C@H]([NH2+]Cc1cccc(c1)C1CC1)[*:1]
OC[C@H]([NH2+]Cc1cccc(C2CC2)c1)c1ccccc1 C1CC1[*:1] OC[C@H]([NH2+]Cc1cccc(c1)[*:1])c1ccccc1
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N(C)c2ccccc2F)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)-c1nn(cc1C(=O)N(C)c1ccccc1F)[*:1]
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N(C)c2ccccc2F)c1 Fc1ccccc1[*:1] COc1ccc(OC)c(c1)-c1nn(cc1C(=O)N(C)[*:1])-c1ccccc1
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N(C)c2ccccc2F)c1 COc1ccc(OC)c(c1)[*:1] CN(C(=O)c1cn(nc1[*:1])-c1ccccc1)c1ccccc1F
COc1cccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 COc1cccc(c1)[*:1] C[C@@H](C(=O)OCC(=O)[*:1])N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O
COc1cccc2cc(C(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)oc12 Fc1ccc(cc1Cl)[*:1] COc1cccc2cc(oc12)C(=O)N1CCO[C@H](C1)[*:1]
O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 c1ccc2cc(ccc2c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)Cc1ccc(F)cc1
O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
COc1cc(/C=C/C(=O)N[C@@H](C)c2nc(C)cs2)ccc1OC(C)C CC(C)O[*:1] COc1cc(/C=C/C(=O)N[C@@H](C)c2nc(C)cs2)ccc1[*:1]
COc1cc(/C=C/C(=O)N[C@@H](C)c2nc(C)cs2)ccc1OC(C)C Cc1csc(n1)[*:1] COc1cc(/C=C/C(=O)N[C@@H](C)[*:1])ccc1OC(C)C
COc1cc(/C=C/C(=O)N[C@@H](C)c2nc(C)cs2)ccc1OC(C)C CC(C)[*:1] COc1cc(/C=C/C(=O)N[C@@H](C)c2nc(C)cs2)ccc1O[*:1]
COC(=O)c1cc(NC(=O)Nc2ccc(C)cc2)cc(C(=O)OC)c1 COC(=O)[*:1] COC(=O)c1cc(cc(c1)[*:1])NC(=O)Nc1ccc(C)cc1
COC(=O)c1cc(NC(=O)Nc2ccc(C)cc2)cc(C(=O)OC)c1 Cc1ccc(cc1)[*:1] COC(=O)c1cc(cc(c1)C(=O)OC)NC(=O)N[*:1]
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2)CC1=O C[C@@H](c1ccccc1)[*:1] O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2)CC1=O Clc1ccc(cc1)[*:1] C[C@@H](c1ccccc1)N1C[C@H](CC1=O)C(=O)N[*:1]
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2)CC1=O c1ccc(cc1)[*:1] C[C@@H](N1C[C@H](CC1=O)C(=O)Nc1ccc(Cl)cc1)[*:1]
CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2 c1ccc(cc1)[*:1] CCn1nc(C(=O)N2CCN(CC2)[*:1])c2CN(CCc21)C(=O)c1ccc(F)c(F)c1
CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2 Fc1ccc(cc1F)[*:1] CCn1nc(C(=O)N2CCN(CC2)c2ccccc2)c2CN(CCc21)C(=O)[*:1]
COC(=O)[C@H](C)S[C@@H]1N=N[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(F)cc1 COC(=O)[C@H](C)[*:1] O=c1cc(C[C@H]2N=N[C@@H](S[*:1])N2c2ccc(F)cc2)[nH]c(=O)[nH]1
COC(=O)[C@H](C)S[C@@H]1N=N[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@H](C)S[C@@H]1N=N[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1[*:1]
COC(=O)[C@H](C)S[C@@H]1N=N[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(F)cc1 O=c1cc([nH]c(=O)[nH]1)[*:1] COC(=O)[C@H](C)S[C@@H]1N=N[C@H](C[*:1])N1c1ccc(F)cc1
COC(=O)[C@H](C)S[C@@H]1N=N[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(F)cc1 O=c1cc(C[*:1])[nH]c(=O)[nH]1 COC(=O)[C@H](C)S[C@@H]1N=N[C@H](N1c1ccc(F)cc1)[*:1]
COC(=O)[C@H](C)S[C@@H]1N=N[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(F)cc1 COC(=O)[*:1] C[C@H](S[C@@H]1N=N[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(F)cc1)[*:1]
CC(C)CC(CO)(CO)Cc1sccc1Br CC(C)[*:1] OCC(CO)(Cc1sccc1Br)C[*:1]
CC(C)CC(CO)(CO)Cc1sccc1Br CC(C)C[*:1] OCC(CO)(Cc1sccc1Br)[*:1]
CC(C)(C(=O)N1CCC[C@H](COc2ccccc2)C1)c1cccc(C#N)c1 c1ccc(cc1)[*:1] CC(C)(C(=O)N1CCC[C@H](CO[*:1])C1)c1cccc(C#N)c1
CC(C)(C(=O)N1CCC[C@H](COc2ccccc2)C1)c1cccc(C#N)c1 c1ccc(cc1)OC[*:1] CC(C)(C(=O)N1CCC[C@H](C1)[*:1])c1cccc(C#N)c1
CC(C)(C(=O)N1CCC[C@H](COc2ccccc2)C1)c1cccc(C#N)c1 c1ccc(cc1)O[*:1] CC(C)(C(=O)N1CCC[C@@H](C1)C[*:1])c1cccc(C#N)c1
CC(C)(C(=O)N1CCC[C@H](COc2ccccc2)C1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)(C(=O)N1CCC[C@H](COc2ccccc2)C1)[*:1]
Cc1ccc(N(C(=O)c2cccs2)[C@@H]2C=CS(=O)(=O)C2)cc1Cl c1csc(c1)[*:1] Cc1ccc(cc1Cl)N(C(=O)[*:1])[C@@H]1C=CS(=O)(=O)C1
Cc1cc(C)c(-c2cc(NC(=O)CSc3nc(C4CC4)n[nH]3)n(-c3ccccc3)n2)cc1C Cc1cc(C)c(cc1C)[*:1] O=C(CSc1nc(n[nH]1)C1CC1)Nc1cc(nn1-c1ccccc1)[*:1]
Cc1cc(C)c(-c2cc(NC(=O)CSc3nc(C4CC4)n[nH]3)n(-c3ccccc3)n2)cc1C C1CC1[*:1] Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2nc(n[nH]2)[*:1])n(n1)-c1ccccc1
Cc1cc(C)c(-c2cc(NC(=O)CSc3nc(C4CC4)n[nH]3)n(-c3ccccc3)n2)cc1C c1ccc(cc1)[*:1] Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2nc(n[nH]2)C2CC2)n(n1)[*:1]
O=C(c1cc(Cl)c2ccccc2c1O)N1CCCC[C@H]1c1ncc[nH]1 c1c[nH]c(n1)[*:1] O=C(c1cc(Cl)c2ccccc2c1O)N1CCCC[C@@H]1[*:1]
Cc1ccc([C@@H](C)NC(=O)C[S@@](=O)Cc2cccc(C(N)=O)c2)cc1C NC(=O)[*:1] Cc1ccc(cc1C)[C@@H](C)NC(=O)C[S@@](=O)Cc1cccc(c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)C[S@@](=O)Cc2cccc(C(N)=O)c2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)C[S@@](=O)Cc1cccc(c1)C(N)=O)[*:1]
COc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
COc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] c1ccc(cc1)[*:1] COc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)C[*:1]
COc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] c1ccc(cc1)C[*:1] COc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](CNS(=O)(=O)[*:1])N1CCOCC1
CC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 CC(=O)[*:1] Cc1ccc(cc1)[C@H](CNS(=O)(=O)c1ccc(cc1)[*:1])N1CCOCC1
CC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)NC[C@@H](c1ccc(C)cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)NC[C@@H](N1CCOCC1)[*:1]
COc1ccc(NC(=O)[C@H](OC(=O)c2ccc3c(c2)OCCO3)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@H](OC(=O)c1ccc2OCCOc2c1)[*:1]
COc1ccc(NC(=O)[C@H](OC(=O)c2ccc3c(c2)OCCO3)c2ccccc2)cc1 c1cc2OCCOc2cc1[*:1] COc1ccc(cc1)NC(=O)[C@H](OC(=O)[*:1])c1ccccc1
COc1ccc(NC(=O)[C@H](OC(=O)c2ccc3c(c2)OCCO3)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)N[*:1])c1ccccc1)c1ccc2OCCOc2c1
C[NH2+][C@@H]1[C@@H](CN(CCO)C(C)C)CCC1(C)C CC(C)[*:1] C[NH2+][C@@H]1[C@H](CCC1(C)C)CN(CCO)[*:1]
C[NH2+][C@@H]1[C@@H](CN(CCO)C(C)C)CCC1(C)C OCC[*:1] C[NH2+][C@@H]1[C@H](CCC1(C)C)CN(C(C)C)[*:1]
COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1nnc(C[*:1])s1
COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 COC(=O)[*:1] O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@H]1C[C@H]1[*:1]
Cc1cc(Oc2cccc(-c3nnco3)c2)nc(C)n1 c1nnc(o1)[*:1] Cc1cc(nc(C)n1)Oc1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(Sc3ccc(C(=O)NC4CC4)cn3)cc2)c(C)c1 C1CC1[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc(cc1)Sc1ccc(cn1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(Sc3ccc(C(=O)NC4CC4)cn3)cc2)c(C)c1 O=C(NC1CC1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc(cc1)Sc1ccc(cn1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(Sc3ccc(C(=O)NC4CC4)cn3)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NC1CC1)c1ccc(nc1)Sc1ccc(cc1)NS(=O)(=O)[*:1]
COc1ccc(NC(=O)CSc2[nH+]c(C)c(C)n2CC(C)C)cc1 COc1ccc(cc1)[*:1] Cc1[nH+]c(SCC(=O)N[*:1])n(CC(C)C)c1C
COc1ccc(NC(=O)CSc2[nH+]c(C)c(C)n2CC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)NC(=O)CSc1[nH+]c(C)c(C)n1[*:1]
COc1ccc(NC(=O)CSc2[nH+]c(C)c(C)n2CC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)CSc1[nH+]c(C)c(C)n1C[*:1]
O=C(NNC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(S(=O)(=O)NC2CC2)cc1 O=S(=O)(NC1CC1)[*:1] O=C(NNC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(cc1)[*:1]
O=C(NNC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(S(=O)(=O)NC2CC2)cc1 C1CC1[*:1] O=C(NNC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc2c(C)n[nH]c2c1 Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)Nc1ccc2c(C)n[nH]c2c1)[*:1]
Cc1cc(NC(=O)NC(=O)c2ccccc2N)ccc1Oc1ncc(Br)cn1 Brc1cnc(nc1)[*:1] Cc1cc(ccc1O[*:1])NC(=O)NC(=O)c1ccccc1N
Cc1cc(NC(=O)NC(=O)c2ccccc2N)ccc1Oc1ncc(Br)cn1 Nc1ccccc1[*:1] Cc1cc(ccc1Oc1ncc(Br)cn1)NC(=O)NC(=O)[*:1]
Cc1cc(NC(=O)NC(=O)c2ccccc2N)ccc1Oc1ncc(Br)cn1 Brc1cnc(nc1)O[*:1] Cc1cc(ccc1[*:1])NC(=O)NC(=O)c1ccccc1N
O=C(Cc1noc(-c2cscn2)n1)Nc1ccc2c(c1)OCCO2 c1nc(cs1)[*:1] O=C(Cc1noc(n1)[*:1])Nc1ccc2OCCOc2c1
O=C1O/C(=C/c2ccccc2)c2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C1O/C(=C/c2ccccc2)c2ccc(cc21)[*:1]
O=C1O/C(=C/c2ccccc2)c2ccc([N+](=O)[O-])cc21 c1ccc(cc1)[*:1] O=C1OC(=C[*:1])c2ccc(cc21)[N+](=O)[O-]
COCCNC(=O)NC[C@H](c1ccccc1)N1CCOCC1 COC[*:1] O=C(NC[C@H](c1ccccc1)N1CCOCC1)NC[*:1]
COCCNC(=O)NC[C@H](c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] COCCNC(=O)NC[C@H](N1CCOCC1)[*:1]
COCCNC(=O)NC[C@H](c1ccccc1)N1CCOCC1 COCC[*:1] O=C(NC[C@H](c1ccccc1)N1CCOCC1)N[*:1]
COCCNC(=O)NC[C@H](c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] COCCNC(=O)NC[C@H](c1ccccc1)[*:1]
Cc1cccc([C@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)c1C Cc1cccc(c1C)[*:1] C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)[*:1]
COc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)c([N+](=O)[O-])c1 Clc1cccc(c1)[*:1] COc1ccc(NC(=O)C=C[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)c(c1)[*:1]
CCOc1ccc(-c2cc(Cl)ncn2)c(Cl)c1 CCO[*:1] Clc1cc(ncn1)-c1ccc(cc1Cl)[*:1]
Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H](C)n2cccn2)no1 c1cnn(c1)[*:1] Cc1cc(no1)NC(=O)C[NH2+][C@H](C)[C@@H](C)[*:1]
Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H](C)n2cccn2)no1 Cc1cc(no1)[*:1] C[C@@H]([NH2+]CC(=O)N[*:1])[C@@H](C)n1cccn1
CC(C)c1csc(CCNC(=O)c2ccccc2C(=O)c2ccccc2)n1 CC(C)[*:1] O=C(NCCc1nc(cs1)[*:1])c1ccccc1C(=O)c1ccccc1
CC(C)c1csc(CCNC(=O)c2ccccc2C(=O)c2ccccc2)n1 CC(C)c1csc(C[*:1])n1 O=C(NC[*:1])c1ccccc1C(=O)c1ccccc1
CC(C)c1csc(CCNC(=O)c2ccccc2C(=O)c2ccccc2)n1 O=C(c1ccccc1)[*:1] CC(C)c1csc(CCNC(=O)c2ccccc2[*:1])n1
CC(C)c1csc(CCNC(=O)c2ccccc2C(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)c1csc(CCNC(=O)c2ccccc2C(=O)[*:1])n1
CC(C)c1csc(CCNC(=O)c2ccccc2C(=O)c2ccccc2)n1 CC(C)c1csc(n1)[*:1] O=C(NCC[*:1])c1ccccc1C(=O)c1ccccc1
COc1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)c(OC)c1 Cc1nc(CO[*:1])no1 COc1ccc(NC(=O)c2ccccc2[*:1])c(c1)OC
COc1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)c(OC)c1 Cc1nc(no1)[*:1] COc1ccc(NC(=O)c2ccccc2OC[*:1])c(c1)OC
COc1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)c(OC)c1 Cc1nc(C[*:1])no1 COc1ccc(NC(=O)c2ccccc2O[*:1])c(c1)OC
CCc1noc(CC)c1CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCc1noc(CC)c1CC(=O)N1CCC[C@@H]1[*:1]
CC(=O)N1CCC(COc2ccc(C(=O)NC(C)C)cc2)CC1 CC(C)[*:1] CC(=O)N1CCC(CC1)COc1ccc(cc1)C(=O)N[*:1]
CC(=O)N1CCC(COc2ccc(C(=O)NC(C)C)cc2)CC1 CC(C)NC(=O)[*:1] CC(=O)N1CCC(CC1)COc1ccc(cc1)[*:1]
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Cl)ccc1OC(F)F FC(F)O[*:1] COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Cl)ccc1[*:1]
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Cl)ccc1OC(F)F FC(F)[*:1] COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Cl)ccc1O[*:1]
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Cl)ccc1OC(F)F COc1ccccc1[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)N[*:1])c1cc(Cl)ccc1OC(F)F
O=C(Cc1ccon1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 c1cc(C[*:1])no1 O=C(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
O=C(Cc1ccon1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 c1cc(no1)[*:1] O=C(C[*:1])Nc1n[nH]c2ccc(cc12)[N+](=O)[O-]
O=C(Cc1ccon1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(Cc1ccon1)Nc1n[nH]c2ccc(cc12)[*:1]
O=C(NC[C@@H](O)Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 c1ccc(cc1)C[*:1] O=C(NC[C@@H](O)[*:1])c1ccc(cc1)OC(F)(F)F
O=C(NC[C@@H](O)Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](O)C[*:1])c1ccc(cc1)OC(F)(F)F
O=C(NC[C@@H](O)Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(NC[C@@H](O)Cc1ccccc1)c1ccc(cc1)[*:1]
O=C(NC[C@@H](O)Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NC[C@@H](O)Cc1ccccc1)c1ccc(cc1)O[*:1]
C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O c1ccc2c(c[nH]c2c1)C[*:1] C/C(NC[*:1])=C1/C(=O)NC(=O)N(C1=O)c1ccccc1C
C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O c1ccc2c(c[nH]c2c1)[*:1] C/C(NCC[*:1])=C1/C(=O)NC(=O)N(C1=O)c1ccccc1C
C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O Cc1ccccc1[*:1] C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)NC(=O)N(C1=O)[*:1]
O=C(CCl)Cc1ccc(-c2ccccc2)cc1 O=C(CCl)C[*:1] c1ccc(cc1)-c1ccc(cc1)[*:1]
O=C(CCl)Cc1ccc(-c2ccccc2)cc1 O=C(CCl)[*:1] c1ccc(cc1)-c1ccc(cc1)C[*:1]
CN(C(=O)CN1CC[NH+](CCCO)CC1)[C@H]1CCCc2ccccc21 OCCC[*:1] CN(C(=O)CN1CC[NH+](CC1)[*:1])[C@H]1CCCc2ccccc21
CN(C(=O)CN1CC[NH+](CCCO)CC1)[C@H]1CCCc2ccccc21 OCC[*:1] CN(C(=O)CN1CC[NH+](CC1)C[*:1])[C@H]1CCCc2ccccc21
CCn1cc(C(=O)N[C@H](C)CN2CCOCC2)c(C)n1 C1CN(CCO1)[*:1] CCn1cc(C(=O)N[C@H](C)C[*:1])c(C)n1
Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)c(Br)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2[*:1])c(Br)c1
Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)N[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)c(Br)c1 c1ccc(nc1)[*:1] Cc1ccc(NC(=O)CSc2nnc(n2-c2ccccc2)[*:1])c(Br)c1
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cnc(C2CC2)s1 c1nc(sc1[*:1])C1CC1 O=C1[C@@H](CCN1c1c(F)cccc1F)NC(=O)[*:1]
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cnc(C2CC2)s1 Fc1cccc(F)c1[*:1] O=C(N[C@@H]1CCN(C1=O)[*:1])c1cnc(s1)C1CC1
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1cnc(C2CC2)s1 C1CC1[*:1] O=C(N[C@@H]1CCN(C1=O)c1c(F)cccc1F)c1cnc(s1)[*:1]
CC(C)[C@@H]1CC(=O)NC(=O)[C@H]1c1cccc(F)c1 CC(C)[*:1] O=C1C[C@H]([C@@H](C(=O)N1)c1cccc(F)c1)[*:1]
N#Cc1ccc(CS(=O)(=O)/N=C(\[O-])COCc2ccccc2Cl)cc1 Clc1ccccc1C[*:1] N#Cc1ccc(cc1)CS(=O)(=O)/N=C(\[O-])CO[*:1]
N#Cc1ccc(CS(=O)(=O)/N=C(\[O-])COCc2ccccc2Cl)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(C[*:1])/N=C(\[O-])COCc1ccccc1Cl
N#Cc1ccc(CS(=O)(=O)/N=C(\[O-])COCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] N#Cc1ccc(cc1)CS(=O)(=O)/N=C(\[O-])COC[*:1]
CCCNc1cccc(CN2CCO[C@@H](C)C2)[nH+]1 CCC[*:1] C[C@H]1CN(CCO1)Cc1cccc(N[*:1])[nH+]1
CCCNc1cccc(CN2CCO[C@@H](C)C2)[nH+]1 CCCN[*:1] C[C@H]1CN(CCO1)Cc1cccc([nH+]1)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1 CN(C)C(=O)[*:1] O=C(Cc1c[nH]c2ccc(F)cc12)Nc1cc(ccc1F)[*:1]
Cc1cc(NC(=O)c2cccnc2)n(CCC#N)n1 N#CC[*:1] Cc1cc(NC(=O)c2cccnc2)n(C[*:1])n1
Cc1cc(NC(=O)c2cccnc2)n(CCC#N)n1 N#CCC[*:1] Cc1cc(NC(=O)c2cccnc2)n(n1)[*:1]
Cc1cc(NC(=O)c2cccnc2)n(CCC#N)n1 c1cncc(c1)[*:1] Cc1cc(NC(=O)[*:1])n(CCC#N)n1
O=C(NC1COC1)[C@@H]1Cc2cc(Cl)ccc2O1 C1OCC1[*:1] O=C(N[*:1])[C@@H]1Cc2cc(Cl)ccc2O1
CCNC(=O)N1CCN(CC(=O)NCCOc2ccccc2)CC1 c1ccc(cc1)OC[*:1] CCNC(=O)N1CCN(CC1)CC(=O)NC[*:1]
CCNC(=O)N1CCN(CC(=O)NCCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] CCNC(=O)N1CCN(CC1)CC(=O)NCC[*:1]
CCNC(=O)N1CCN(CC(=O)NCCOc2ccccc2)CC1 c1ccc(cc1)[*:1] CCNC(=O)N1CCN(CC1)CC(=O)NCCO[*:1]
Cc1ccc([N+](=O)[O-])c(NCC[NH+](C)C(C)C)c1 CC(C)[*:1] Cc1ccc(c(c1)NCC[NH+](C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NCC[NH+](C)C(C)C)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)NCC[NH+](C)C(C)C)[*:1]
Cc1ccccc1N(CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)S(C)(=O)=O FC(F)(F)[*:1] Cc1ccccc1N(CC(=O)N[C@H](C)c1cccc(c1)[*:1])S(C)(=O)=O
Cc1ccccc1N(CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)S(C)(=O)=O Cc1ccccc1[*:1] C[C@@H](NC(=O)CN(S(C)(=O)=O)[*:1])c1cccc(c1)C(F)(F)F
O=C(CCC1CCCC1)N1CCN(S(=O)(=O)CCC2CC2)CC1 C1CC1CC[*:1] O=C(CCC1CCCC1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CCC1CCCC1)N1CCN(S(=O)(=O)CCC2CC2)CC1 C1CCC(C1)[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)CCC1CC1
O=C(CCC1CCCC1)N1CCN(S(=O)(=O)CCC2CC2)CC1 C1CCC(C1)C[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)CCC1CC1
O=C(CCC1CCCC1)N1CCN(S(=O)(=O)CCC2CC2)CC1 C1CC1[*:1] O=C(CCC1CCCC1)N1CCN(CC1)S(=O)(=O)CC[*:1]
O=C(CCC1CCCC1)N1CCN(S(=O)(=O)CCC2CC2)CC1 C1CCC(C1)CC[*:1] O=C(N1CCN(CC1)S(=O)(=O)CCC1CC1)[*:1]
O=C(CCC1CCCC1)N1CCN(S(=O)(=O)CCC2CC2)CC1 C1CC1C[*:1] O=C(CCC1CCCC1)N1CCN(CC1)S(=O)(=O)C[*:1]
COc1ccc(NC(=O)NC[C@H](C)Cn2nc(C)cc2C)cn1 Cc1cc(C)n(n1)[*:1] COc1ccc(cn1)NC(=O)NC[C@H](C)C[*:1]
CC[C@@H](NC(=O)NCCC1=CCCCC1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)NCCC1=CCCCC1)[*:1]
Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc23)sc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(sc1[*:1])S(=O)(=O)[N-]c1cccc2[nH]ccc12
Cn1cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C(C)(C)C)n1 Cn1ccnc1C(=O)[*:1] Cn1cc(C(=O)Nc2ccc(cc2)[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C(C)(C)C)n1 Cn1ccnc1[*:1] Cn1cc(C(=O)Nc2ccc(cc2)C(=O)[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2ccc(cc2)C(=O)c2nccn2C)c(n1)[*:1]
COC(=O)[C@@H](F)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 COC(=O)[*:1] C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC1)C[C@H](F)[*:1]
COC(=O)[C@@H](F)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 COC(=O)[C@@H](F)[*:1] C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC1)C[*:1]
COC(=O)[C@@H](F)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 COC(=O)[C@@H](F)C[*:1] C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC1)[*:1]
O=C([O-])C(=O)/C(=C/c1cnn(Cc2ccccc2Cl)c1)c1ccc2ccccc2n1 c1ccc2nc(ccc2c1)[*:1] O=C([O-])C(=O)/C(=C/c1cnn(c1)Cc1ccccc1Cl)[*:1]
O=C([O-])C(=O)/C(=C/c1cnn(Cc2ccccc2Cl)c1)c1ccc2ccccc2n1 Clc1ccccc1[*:1] O=C([O-])C(=O)/C(=C/c1cnn(c1)C[*:1])c1ccc2ccccc2n1
O=C([O-])C(=O)/C(=C/c1cnn(Cc2ccccc2Cl)c1)c1ccc2ccccc2n1 Clc1ccccc1C[*:1] O=C([O-])C(=O)/C(=C/c1cnn(c1)[*:1])c1ccc2ccccc2n1
CO[C@@H](C(=O)NCC1(c2ccccc2)CCCC1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)NCC1(CCCC1)[*:1])c1ccccc1
CO[C@@H](C(=O)NCC1(c2ccccc2)CCCC1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)NCC1(CCCC1)c1ccccc1)[*:1]
Cc1ncc(CNCc2cccc(-n3cccn3)c2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ncc(CNCc2cccc(c2)-n2cccn2)n1[*:1]
Cc1ncc(CNCc2cccc(-n3cccn3)c2)n1-c1ccccc1 c1cnn(c1)[*:1] Cc1ncc(CNCc2cccc(c2)[*:1])n1-c1ccccc1
CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(c3ccccc3Cl)CC2)C1 Clc1ccccc1[*:1] CS(=O)(=O)N1CCC[C@H](C1)NC(=O)N1CCN(CC1)[*:1]
O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CC(=O)N(C1)CC(F)(F)F)[C@H](O)[*:1]
O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@H](O)c1ccccc1 FC(F)(F)[*:1] O=C(N[C@H]1CC(=O)N(C1)C[*:1])[C@H](O)c1ccccc1
O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@H](O)c1ccccc1 FC(F)(F)C[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])[C@H](O)c1ccccc1
Cc1ccc(-c2ncco2)cc1NCc1ccccc1OCC(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1NCc1ccccc1OC[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NCc1ccccc1OCC(=O)N(C)C CN(C)C(=O)CO[*:1] Cc1ccc(cc1NCc1ccccc1[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NCc1ccccc1OCC(=O)N(C)C CN(C)C(=O)C[*:1] Cc1ccc(cc1NCc1ccccc1O[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NCc1ccccc1OCC(=O)N(C)C c1coc(n1)[*:1] Cc1ccc(cc1NCc1ccccc1OCC(=O)N(C)C)[*:1]
COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(C(=O)CCC(=O)[O-])CC2 O=C([O-])C[*:1] COc1cc2CCN(C(=O)C[*:1])[C@@H](c3cccc(c3)[N+](=O)[O-])c2cc1OC
COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(C(=O)CCC(=O)[O-])CC2 O=[N+]([O-])c1cccc(c1)[*:1] COc1cc2CCN(C(=O)CCC(=O)[O-])[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(C(=O)CCC(=O)[O-])CC2 O=[N+]([O-])[*:1] COc1cc2CCN(C(=O)CCC(=O)[O-])[C@@H](c3cccc(c3)[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(C(=O)CCC(=O)[O-])CC2 O=C([O-])[*:1] COc1cc2CCN(C(=O)CC[*:1])[C@@H](c3cccc(c3)[N+](=O)[O-])c2cc1OC
Cc1nn(C)c(C)c1CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 Cc1nn(C)c(C)c1C[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)[*:1]
Cc1nn(C)c(C)c1CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 Cc1nn(C)c(C)c1[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)C[*:1]
Cc1nn(C)c(C)c1CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 N#Cc1ccccc1[*:1] Cc1nn(C)c(C)c1CC(=O)NCc1ccc(cc1)[*:1]
CSc1nc(C)cc(C(=O)NC(C)C)n1 CC(C)[*:1] CSc1nc(C)cc(n1)C(=O)N[*:1]
COC(=O)[C@H](C)[NH+]1CCCCC1 COC(=O)[*:1] C[C@H]([NH+]1CCCCC1)[*:1]
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C O=[N+]([O-])[*:1] Cc1cc(ccc1S(=O)(=O)N(C)C)[*:1]
CC(C)NC(=O)C1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 CC(C)[*:1] N#Cc1ccc(c(c1)C(F)(F)F)N1CCC(CC1)C(=O)N[*:1]
CC(C)NC(=O)C1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)NC(=O)C1CCN(CC1)c1ccc(C#N)cc1[*:1]
CC(C)NC(=O)C1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 CC(C)NC(=O)[*:1] N#Cc1ccc(c(c1)C(F)(F)F)N1CCC(CC1)[*:1]
CCC[C@H]([NH2+]Cc1ccc(C)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H]([NH2+]Cc1ccc(C)cc1)[*:1]
CCC[C@H]([NH2+]Cc1ccc(C)cc1)c1ccccc1 CCC[*:1] Cc1ccc(cc1)C[NH2+][C@H](c1ccccc1)[*:1]
Cc1ccc(CNC(=O)Cn2nc(C3CCN(S(C)(=O)=O)CC3)n(-c3cccs3)c2=O)cc1 CS(=O)(=O)N1CCC(CC1)[*:1] Cc1ccc(cc1)CNC(=O)Cn1nc(n(-c2cccs2)c1=O)[*:1]
Cc1ccc(CNC(=O)Cn2nc(C3CCN(S(C)(=O)=O)CC3)n(-c3cccs3)c2=O)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)CNC(=O)Cn1nc(C2CCN(CC2)S(C)(=O)=O)n(c1=O)[*:1]
Cc1ccc(CNC(=O)Cn2nc(C3CCN(S(C)(=O)=O)CC3)n(-c3cccs3)c2=O)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)c1nn(CC(=O)NC[*:1])c(=O)n1-c1cccs1
Cc1ccc(CNC(=O)Cn2nc(C3CCN(S(C)(=O)=O)CC3)n(-c3cccs3)c2=O)cc1 Cc1ccc(cc1)CNC(=O)[*:1] CS(=O)(=O)N1CCC(CC1)c1nn(C[*:1])c(=O)n1-c1cccs1
Cc1ccc(CNC(=O)Cn2nc(C3CCN(S(C)(=O)=O)CC3)n(-c3cccs3)c2=O)cc1 Cc1ccc(cc1)C[*:1] CS(=O)(=O)N1CCC(CC1)c1nn(CC(=O)N[*:1])c(=O)n1-c1cccs1
CN(Cc1csc(Br)c1)C(=O)NCc1cccc2cccnc12 Brc1cc(cs1)[*:1] CN(C[*:1])C(=O)NCc1cccc2cccnc12
CN(Cc1csc(Br)c1)C(=O)NCc1cccc2cccnc12 Brc1cc(cs1)C[*:1] CN(C(=O)NCc1cccc2cccnc12)[*:1]
C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 c1ccc2c(n[nH]c2c1)[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
C[C@H](O)CCC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@H](O)CCC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
C[C@H](O)CCC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 C[C@H](O)C[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)NC(N)=O
C[C@H](O)CCC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 C[C@H](O)[*:1] C[C@H](NC(=O)CC[*:1])c1ccc(cc1)NC(N)=O
C[C@H](O)CCC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 C[C@H](O)CC[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)NC(N)=O
C=CCN(Cc1c(C(=O)N2CCOCC2)nc2c(C)cccn12)[C@@H]1CCS(=O)(=O)C1 O=C(N1CCOCC1)[*:1] C=CCN(Cc1c(nc2c(C)cccn12)[*:1])[C@@H]1CCS(=O)(=O)C1
C=CCN(Cc1c(C(=O)N2CCOCC2)nc2c(C)cccn12)[C@@H]1CCS(=O)(=O)C1 C=CC[*:1] Cc1cccn2c(CN([C@@H]3CCS(=O)(=O)C3)[*:1])c(nc12)C(=O)N1CCOCC1
CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 Clc1ccc2[nH]c(nc2c1)[*:1] CN(Cc1nc(Cc2cccc(c2)C(F)(F)F)no1)C[*:1]
CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 FC(F)(F)c1cccc(c1)[*:1] CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(C[*:1])no1
CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(Cc2cccc(c2)[*:1])no1
Cc1n[nH]c2ncc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)cc12 O=[N+]([O-])[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)CNC(=O)c1cccc(c1)[*:1]
COc1cccc(-c2cn[nH]c2C2CCN(Cc3[nH+]ccn3C)CC2)c1 COc1cccc(c1)[*:1] Cn1cc[nH+]c1CN1CCC(CC1)c1[nH]ncc1[*:1]
c1cc(-c2ccnn2Cc2ccc3c(c2)OCCO3)ccn1 c1cc(ccn1)[*:1] c1cc(n(Cc2ccc3OCCOc3c2)n1)[*:1]
C[C@@H](OC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc21 Clc1ccc(c(Cl)c1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)N1CCc2ccccc21
COCc1c(C(=O)[O-])sc2ccccc12 COC[*:1] O=C([O-])c1sc2ccccc2c1[*:1]
COCc1c(C(=O)[O-])sc2ccccc12 O=C([O-])[*:1] COCc1c(sc2ccccc12)[*:1]
C/C(=C/C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1Cl Clc1ccccc1[*:1] CC(=CC(=O)Nc1ccc(cc1)CC[NH+](C)C)[*:1]
Cc1nccn1-c1ccc([C@@H](C)NC(=O)CCc2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NC(=O)CC[*:1]
Cc1nccn1-c1ccc([C@@H](C)NC(=O)CCc2ccc(F)c(F)c2)cc1 Cc1nccn1[*:1] C[C@@H](NC(=O)CCc1ccc(F)c(F)c1)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@@H](C)NC(=O)CCc2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)C[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NC(=O)C[*:1]
CC(C)NC(=O)CCNC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] CC(C)NC(=O)CCNC(=O)C[*:1]
CC(C)NC(=O)CCNC(=O)Cc1ccc[nH]1 CC(C)[*:1] O=C(Cc1ccc[nH]1)NCCC(=O)N[*:1]
COc1ccc(NC(=O)NCc2nnnn2-c2cccc(F)c2)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)NC(=O)NCc1nnnn1[*:1]
Cc1ccc(S(=O)(=O)CCCOc2ccc(-n3cncn3)cc2)cc1 c1ncn(n1)[*:1] Cc1ccc(cc1)S(=O)(=O)CCCOc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)CCCOc2ccc(-n3cncn3)cc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(CCCOc1ccc(cc1)-n1cncn1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)C[C@@H]1SC(N)=NC1=O CC(C)[*:1] NC1=NC(=O)[C@H](CC(=O)N(Cc2ccccc2)[*:1])S1
CC(C)N(Cc1ccccc1)C(=O)C[C@@H]1SC(N)=NC1=O c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)C[C@@H]1SC(N)=NC1=O
CC(C)N(Cc1ccccc1)C(=O)C[C@@H]1SC(N)=NC1=O c1ccc(cc1)C[*:1] CC(C)N(C(=O)C[C@@H]1SC(N)=NC1=O)[*:1]
CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 Fc1ccccc1C[*:1] CN(C(=O)C(=O)Nc1ccc(nc1)NC(=O)C1CC1)[*:1]
CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 C1CC1[*:1] CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(nc1)NC(=O)[*:1]
CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc(nc1)NC(=O)C1CC1
CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 O=C(N[*:1])C1CC1 CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(nc1)[*:1]
O=C1CCN(C2CC2)c2ccc(I)cc2N1 C1CC1[*:1] O=C1CCN(c2ccc(I)cc2N1)[*:1]
C[C@H]1CN(Cc2ccccc2NC(=O)[C@@H](C)Oc2cccc(C=O)c2)C[C@H](C)O1 O=Cc1cccc(c1)[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)[C@@H](C)O[*:1])C[C@H](C)O1
C[C@H]1CN(Cc2ccccc2NC(=O)[C@@H](C)Oc2cccc(C=O)c2)C[C@H](C)O1 O=Cc1cccc(c1)O[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)[C@@H](C)[*:1])C[C@H](C)O1
C[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)[*:1]
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2 c1ccc(cc1)[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccc(o3)[N+](=O)[O-])c2c(=O)n1CC[*:1]
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2 O=[N+]([O-])c1ccc(o1)[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c2c(=O)n1CCc1ccccc1)[*:1]
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2 O=[N+]([O-])[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccc(o3)[*:1])c2c(=O)n1CCc1ccccc1
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2 c1ccc(cc1)C[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccc(o3)[N+](=O)[O-])c2c(=O)n1C[*:1]
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2 c1ccc(cc1)CC[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccc(o3)[N+](=O)[O-])c2c(=O)n1[*:1]
CCN(CC)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 CCN(CC)[*:1] N#CC1=C(N)OC2C[C@@H](CC(=O)C=2[C@H]1c1ccc(cc1)[*:1])c1ccccc1
CCN(CC)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 c1ccc(cc1)[*:1] CCN(CC)c1ccc(cc1)[C@H]1C(C#N)=C(N)OC2C[C@H](CC(=O)C=21)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](c1ccccc1)N(C)C(=O)C[C@@H](O)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)C[C@@H](O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)C[C@@H](O)c1ccc(Cl)cc1)[*:1]
COCCCC[NH2+][C@H]1CS[C@H](C)C1 COCC[*:1] C[C@@H]1C[C@H](CS1)[NH2+]CC[*:1]
COCCCC[NH2+][C@H]1CS[C@H](C)C1 COC[*:1] C[C@@H]1C[C@H](CS1)[NH2+]CCC[*:1]
CC(C)C(=O)NCC[NH+](C)Cc1ccco1 CC(C)[*:1] C[NH+](CCNC(=O)[*:1])Cc1ccco1
CC(C)C(=O)NCC[NH+](C)Cc1ccco1 c1coc(c1)[*:1] CC(C)C(=O)NCC[NH+](C)C[*:1]
O=S(=O)(Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] O=S(=O)(Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)[*:1]
O=S(=O)(Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)C1CC1 c1ccc(cc1)C[*:1] O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CC1)[*:1]
O=S(=O)(Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)C1CC1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])N[C@H](c1ccc(Cl)cc1)C1CC1
O=S(=O)(Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] O=S(=O)(Cc1ccccc1)N[C@H](C1CC1)[*:1]
COc1cccc(CNC[C@]2(c3cccc(F)c3)CCOC2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)CNC[C@@]1(CCOC1)[*:1]
C#CCOc1c(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1OCC O=C(Nc1ccccc1)[*:1] C#CCOc1c(Cl)cc(cc1OCC)[C@@H]1NC(=O)NC(C)=C1[*:1]
C#CCOc1c(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1OCC CCO[*:1] C#CCOc1c(Cl)cc(cc1[*:1])[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1
C#CCOc1c(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1OCC C#CC[*:1] CCOc1cc(cc(Cl)c1O[*:1])[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1
C#CCOc1c(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1OCC c1ccc(cc1)[*:1] C#CCOc1c(Cl)cc(cc1OCC)[C@@H]1NC(=O)NC(C)=C1C(=O)N[*:1]
C#CCOc1c(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1OCC C#CCO[*:1] CCOc1cc(cc(Cl)c1[*:1])[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1
Cc1cccc(N2C(=O)C[C@H](c3ccccc3)C3=C2COC3=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N1C(=O)C[C@H](C2C(=O)OCC=21)[*:1]
Cc1cccc(N2C(=O)C[C@H](c3ccccc3)C3=C2COC3=O)c1 Cc1cccc(c1)[*:1] O=C1OCC2=C1[C@H](CC(=O)N2[*:1])c1ccccc1
CCCOc1ccc(Oc2cncc(CCl)n2)cc1 CCC[*:1] ClCc1cncc(n1)Oc1ccc(cc1)O[*:1]
CCCOc1ccc(Oc2cncc(CCl)n2)cc1 CCCO[*:1] ClCc1cncc(n1)Oc1ccc(cc1)[*:1]
CC1(C)c2ccccc2N(CCO)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 O=[N+]([O-])[*:1] CC1(C)c2ccccc2N(CCO)[C@@]12C=Cc1cc(ccc1O2)[*:1]
CC1(C)c2ccccc2N(CCO)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 OCC[*:1] CC1(C)c2ccccc2N([C@@]12C=Cc1cc(ccc1O2)[N+](=O)[O-])[*:1]
CN(C)c1nc(N2C[C@@H](C[NH+](C)C)[C@@H](CO)C2)c2c([nH+]1)CCCC2 CN(C)[*:1] C[NH+](C)C[C@@H]1CN(C[C@@H]1CO)c1nc([nH+]c2CCCCc12)[*:1]
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(cc1)[*:1]
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1 Cc1cccc(C)c1[*:1] N#C/C(=C\c1ccc(cc1)C(=O)[O-])C(=O)N[*:1]
CCOc1ccc(NC(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)cc1 CCOc1ccc(cc1)[*:1] CC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)N[*:1])c2C1
CCOc1ccc(NC(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)cc1 CCO[*:1] CC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)Nc3ccc(cc3)[*:1])c2C1
CCOc1ccc(NC(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)c1c2CC(C)(C)CC(=O)c2cn(c1=O)[*:1]
O=C(NCCSC1CCCCC1)Nc1cccc(Cl)c1 C1CCC(CC1)[*:1] O=C(NCCS[*:1])Nc1cccc(Cl)c1
CN(C)c1nc(Br)cn2ccnc12 CN(C)[*:1] Brc1cn2ccnc2c(n1)[*:1]
CCn1c(SCC(=O)Nc2cccc(Br)c2)nc2ccccc21 Brc1cccc(c1)[*:1] CCn1c(nc2ccccc21)SCC(=O)N[*:1]
CSc1ncccc1C(=O)N1CCC(CNC(=O)NCc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CSc1ncccc1C(=O)N1CCC(CC1)CNC(=O)NC[*:1]
CSc1ncccc1C(=O)N1CCC(CNC(=O)NCc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] CSc1ncccc1C(=O)N1CCC(CC1)CNC(=O)N[*:1]
CSc1ncccc1C(=O)N1CCC(CNC(=O)NCc2ccc(Cl)cc2)CC1 CSc1ncccc1[*:1] O=C(NCc1ccc(Cl)cc1)NCC1CCN(CC1)C(=O)[*:1]
CC(C)c1ocnc1CS(=O)(=O)Cc1noc(C2CCCCC2)n1 CC(C)c1ocnc1[*:1] O=S(=O)(Cc1noc(n1)C1CCCCC1)C[*:1]
CC(C)c1ocnc1CS(=O)(=O)Cc1noc(C2CCCCC2)n1 C1CCC(CC1)[*:1] CC(C)c1ocnc1CS(=O)(=O)Cc1noc(n1)[*:1]
CC(C)c1ocnc1CS(=O)(=O)Cc1noc(C2CCCCC2)n1 CC(C)[*:1] O=S(=O)(Cc1noc(n1)C1CCCCC1)Cc1ncoc1[*:1]
CC(C)(C)C(=O)C[NH+]1CCC2(CC1)NC(=O)c1ccccc1N2 CC(C)(C)[*:1] O=C1NC2(CC[NH+](CC2)CC(=O)[*:1])Nc2ccccc21
CC(C)(C)C(=O)C[NH+]1CCC2(CC1)NC(=O)c1ccccc1N2 CC(C)(C)C(=O)C[*:1] O=C1NC2(CC[NH+](CC2)[*:1])Nc2ccccc21
CC(C)(C)C(=O)C[NH+]1CCC2(CC1)NC(=O)c1ccccc1N2 CC(C)(C)C(=O)[*:1] O=C1NC2(CC[NH+](CC2)C[*:1])Nc2ccccc21
O=C(NCc1cccnc1OC1CCCC1)Nc1cccc(C[NH+]2CCCC2)c1 C1CCC(C1)O[*:1] O=C(NCc1cccnc1[*:1])Nc1cccc(c1)C[NH+]1CCCC1
O=C(NCc1cccnc1OC1CCCC1)Nc1cccc(C[NH+]2CCCC2)c1 C1CCC(C1)[*:1] O=C(NCc1cccnc1O[*:1])Nc1cccc(c1)C[NH+]1CCCC1
O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1 Clc1ccccc1C[*:1] O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@@](=O)[*:1])o1
O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1 Clc1ccccc1[*:1] O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@@](=O)C[*:1])o1
O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1
O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1 Clc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1
Cc1cccc(-c2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)c(=O)[nH]2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)-c1nccs1)c1ccc([nH]c1=O)[*:1]
Cc1cccc(-c2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)c(=O)[nH]2)c1 c1csc(n1)[*:1] Cc1cccc(c1)-c1ccc(C(=O)Nc2ccc(cc2)[*:1])c(=O)[nH]1
Cc1ccc2nc(NCCCNS(=O)(=O)c3ccc(Cl)c(F)c3)c(C#N)cc2c1 Fc1cc(ccc1Cl)[*:1] Cc1ccc2nc(NCCCNS(=O)(=O)[*:1])c(C#N)cc2c1
C/C(=N\NC(=O)COc1ccc(Cl)cc1C)C(C)(C)C CC(C)(C)[*:1] CC(=NNC(=O)COc1ccc(Cl)cc1C)[*:1]
O=C(N[C@H](c1ccccc1)c1cccnc1)c1ccccc1F c1cncc(c1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1ccccc1F
O=C(N[C@H](c1ccccc1)c1cccnc1)c1ccccc1F c1ccc(cc1)[*:1] O=C(N[C@H](c1cccnc1)[*:1])c1ccccc1F
O=C(N[C@H](c1ccccc1)c1cccnc1)c1ccccc1F Fc1ccccc1[*:1] O=C(N[C@H](c1ccccc1)c1cccnc1)[*:1]
O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 c1ccc(cc1)C[*:1] O=C(Nc1nnc(s1)[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 c1ccc(cc1)[*:1] O=C(Nc1nnc(C[*:1])s1)[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
COCCO[C@@H](C)C(=O)N1CCC(OC2CCCCC2)CC1 C1CCC(CC1)O[*:1] COCCO[C@@H](C)C(=O)N1CCC(CC1)[*:1]
COCCO[C@@H](C)C(=O)N1CCC(OC2CCCCC2)CC1 C1CCC(CC1)[*:1] COCCO[C@@H](C)C(=O)N1CCC(CC1)O[*:1]
COCCO[C@@H](C)C(=O)N1CCC(OC2CCCCC2)CC1 COCCO[C@@H](C)[*:1] O=C(N1CCC(CC1)OC1CCCCC1)[*:1]
COCCO[C@@H](C)C(=O)N1CCC(OC2CCCCC2)CC1 COC[*:1] C[C@H](OC[*:1])C(=O)N1CCC(CC1)OC1CCCCC1
COCCO[C@@H](C)C(=O)N1CCC(OC2CCCCC2)CC1 COCCO[*:1] C[C@@H](C(=O)N1CCC(CC1)OC1CCCCC1)[*:1]
COCCO[C@@H](C)C(=O)N1CCC(OC2CCCCC2)CC1 COCC[*:1] C[C@H](O[*:1])C(=O)N1CCC(CC1)OC1CCCCC1
Cc1cccc(N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)N[C@H]1CCC[C@H](C1)[*:1]
CCc1nn(C)cc1C(=O)N[C@H](COC)c1ccco1 c1coc(c1)[*:1] CCc1nn(C)cc1C(=O)N[C@H](COC)[*:1]
CCc1nn(C)cc1C(=O)N[C@H](COC)c1ccco1 COC[*:1] CCc1nn(C)cc1C(=O)N[C@H](c1ccco1)[*:1]
COc1ccc(Cc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)cc1 COc1ccc(cc1)[*:1] Clc1ccccc1C1(CC[NH2+]CC1)c1ccnc(C[*:1])n1
COc1ccc(Cc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)cc1 COc1ccc(cc1)C[*:1] Clc1ccccc1C1(CC[NH2+]CC1)c1ccnc(n1)[*:1]
COc1ccc(Cc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)Cc1nccc(n1)C1(CC[NH2+]CC1)[*:1]
COc1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1cc(CN2CC[NH+](CC2)C[C@H]2CCOC2)c(cc1OC)[*:1]
O=C(NCc1ccc(-c2ccccc2)cc1)c1c[nH]c2c[nH+]ccc12 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1c[nH]c2c[nH+]ccc12
O=C(COc1ccccc1)N1CCN=C1SCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(COc1ccccc1)N1CCN=C1SC[*:1]
O=C(COc1ccccc1)N1CCN=C1SCc1ccc(Cl)cc1 c1ccc(cc1)OC[*:1] O=C(N1CCN=C1SCc1ccc(Cl)cc1)[*:1]
O=C(COc1ccccc1)N1CCN=C1SCc1ccc(Cl)cc1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN=C1SCc1ccc(Cl)cc1
O=C(COc1ccccc1)N1CCN=C1SCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(COc1ccccc1)N1CCN=C1S[*:1]
O=C(COc1ccccc1)N1CCN=C1SCc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN=C1SCc1ccc(Cl)cc1
N#Cc1cccc(COc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] N#Cc1cccc(c1)COc1cccc(c1)[*:1]
O=C(Nc1ccc2c(c1)nc1n2CCN(c2ccccc2)C1)c1cccc(Br)c1 c1ccc(cc1)[*:1] O=C(Nc1ccc2c(c1)nc1CN(CCn12)[*:1])c1cccc(Br)c1
O=C(Nc1ccc2c(c1)nc1n2CCN(c2ccccc2)C1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(Nc1ccc2c(c1)nc1CN(CCn12)c1ccccc1)[*:1]
Cc1cc(C(=O)NCC2(O)CCSCC2)c(C)n1Cc1cccs1 OC1(CCSCC1)C[*:1] Cc1cc(C(=O)N[*:1])c(C)n1Cc1cccs1
Cc1cc(C(=O)NCC2(O)CCSCC2)c(C)n1Cc1cccs1 c1csc(c1)[*:1] Cc1cc(C(=O)NCC2(O)CCSCC2)c(C)n1C[*:1]
Cc1cc(C(=O)NCC2(O)CCSCC2)c(C)n1Cc1cccs1 c1csc(c1)C[*:1] Cc1cc(C(=O)NCC2(O)CCSCC2)c(C)n1[*:1]
Cc1cc(C(=O)NCC2(O)CCSCC2)c(C)n1Cc1cccs1 OC1(CCSCC1)[*:1] Cc1cc(C(=O)NC[*:1])c(C)n1Cc1cccs1
Nc1cc(C(=O)[O-])[nH+]c2ccccc12 O=C([O-])[*:1] Nc1cc([nH+]c2ccccc12)[*:1]
COC(=O)c1ccc(COC(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)COC(=O)[*:1]
COC(=O)c1ccc(COC(=O)c2ccc(F)cc2)cc1 COC(=O)[*:1] O=C(OCc1ccc(cc1)[*:1])c1ccc(F)cc1
COc1ccccc1CN1C(=O)C(O)=C(c2ccccc2)[C@@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1ccccc1CN1C(=O)C(O)=C(c2ccccc2)[C@H]1[*:1]
COc1ccccc1CN1C(=O)C(O)=C(c2ccccc2)[C@@H]1c1ccc(Br)cc1 COc1ccccc1[*:1] O=C1C(O)=C(c2ccccc2)[C@H](c2ccc(Br)cc2)N1C[*:1]
COc1ccccc1CN1C(=O)C(O)=C(c2ccccc2)[C@@H]1c1ccc(Br)cc1 c1ccc(cc1)[*:1] COc1ccccc1CN1C(=O)C(O)=C([C@@H]1c1ccc(Br)cc1)[*:1]
COc1ccccc1CN1C(=O)C(O)=C(c2ccccc2)[C@@H]1c1ccc(Br)cc1 COc1ccccc1C[*:1] O=C1C(O)=C(c2ccccc2)[C@H](c2ccc(Br)cc2)N1[*:1]
O=C1CCc2cc(OCCNCc3nc4c(s3)CCC4)ccc2N1 C1Cc2nc(sc2C1)[*:1] O=C1CCc2cc(ccc2N1)OCCNC[*:1]
CN(Cc1ccccn1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 Clc1ccccc1[*:1] CN(Cc1ccccn1)C(=O)N[C@H]1CCCN(C1)[*:1]
CN(Cc1ccccn1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 c1ccc(C[*:1])nc1 CN(C(=O)N[C@H]1CCCN(C1)c1ccccc1Cl)[*:1]
CN(Cc1ccccn1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 c1ccc(nc1)[*:1] CN(C[*:1])C(=O)N[C@H]1CCCN(C1)c1ccccc1Cl
CNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(o1)[N+](=O)[O-]
CNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1C O=[N+]([O-])[*:1] CNC(=O)c1cccc(NC(=O)c2ccc(o2)[*:1])c1C
COc1ccc(C[C@H](C)CN(C)C(=O)Nc2cnn(C(C)(C)C)c2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)C[C@H](C)CN(C)C(=O)Nc1cnn(c1)[*:1]
COc1ccc(C[C@H](C)CN(C)C(=O)Nc2cnn(C(C)(C)C)c2)cc1 COc1ccc(cc1)[*:1] C[C@H](CN(C)C(=O)Nc1cnn(c1)C(C)(C)C)C[*:1]
NC(=O)c1ccc(SCC(=O)N2CCCc3ccccc32)c([N+](=O)[O-])c1 NC(=O)[*:1] O=C(CSc1ccc(cc1[N+](=O)[O-])[*:1])N1CCCc2ccccc21
NC(=O)c1ccc(SCC(=O)N2CCCc3ccccc32)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(SCC(=O)N2CCCc3ccccc32)c(c1)[*:1]
CCCc1c(C(=O)NCC(C)(C)O)nnn1-c1cccc(Cl)c1 CCC[*:1] CC(C)(O)CNC(=O)c1nnn(-c2cccc(Cl)c2)c1[*:1]
CCCc1c(C(=O)NCC(C)(C)O)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCCc1c(nnn1[*:1])C(=O)NCC(C)(C)O
CCCc1c(C(=O)NCC(C)(C)O)nnn1-c1cccc(Cl)c1 CC(C)(O)[*:1] CCCc1c(nnn1-c1cccc(Cl)c1)C(=O)NC[*:1]
CCCc1c(C(=O)NCC(C)(C)O)nnn1-c1cccc(Cl)c1 CC(C)(O)C[*:1] CCCc1c(nnn1-c1cccc(Cl)c1)C(=O)N[*:1]
CC(C)(C(=O)NCCc1c[nH]c2cc(F)ccc12)S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)(C(=O)NCCc1c[nH]c2cc(F)ccc12)S(=O)(=O)[*:1]
CC(=O)NCc1cn2ccsc2n1 CC(=O)N[*:1] c1cn2cc(C[*:1])nc2s1
Cc1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)CN(C[C@@H]1CCCO1)C(=S)N[*:1]
Cc1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2cccc(Cl)c2)cc1 Cc1ccc(cc1)[*:1] S=C(Nc1cccc(Cl)c1)N(C[C@@H]1CCCO1)C[*:1]
Cc1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2cccc(Cl)c2)cc1 Cc1ccc(cc1)C[*:1] S=C(Nc1cccc(Cl)c1)N(C[C@@H]1CCCO1)[*:1]
CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccco3)ccc2[nH+]1 CCN(CC)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)/C=C/c1ccco1)[*:1]
CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccco3)ccc2[nH+]1 c1coc(c1)[*:1] CCN(CC)c1cc(C)c2cc(ccc2[nH+]1)NC(=O)C=C[*:1]
CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccco3)ccc2[nH+]1 C(=C[*:1])c1ccco1 CCN(CC)c1cc(C)c2cc(ccc2[nH+]1)NC(=O)[*:1]
COC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 COC(=O)C(C#N)=C[*:1] O=C(Oc1cccc(c1)[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
COC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 COC(=O)[*:1] N#CC(=Cc1cccc(c1)OC(=O)c1ccc(cc1Cl)[N+](=O)[O-])[*:1]
COC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 O=[N+]([O-])[*:1] COC(=O)/C(C#N)=C/c1cccc(c1)OC(=O)c1ccc(cc1Cl)[*:1]
Cc1nc(CNC(=O)N[C@H](C)c2csc3ccccc23)no1 Cc1nc(C[*:1])no1 C[C@@H](NC(=O)N[*:1])c1csc2ccccc12
Cc1nc(CNC(=O)N[C@H](C)c2csc3ccccc23)no1 Cc1nc(no1)[*:1] C[C@@H](NC(=O)NC[*:1])c1csc2ccccc12
O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1nc(cs1)-c1cccs1)c1ccc(Cl)c(c1)[*:1]
O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 c1csc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1
CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)c1ccnn1C CC(C)[*:1] Cn1nccc1C(=O)N1CCCCC[C@@H]1Cc1c(sc2ccccc12)C(=O)N[*:1]
CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)c1ccnn1C CC(C)NC(=O)[*:1] Cn1nccc1C(=O)N1CCCCC[C@@H]1Cc1c(sc2ccccc12)[*:1]
CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)c1ccnn1C Cn1nccc1[*:1] CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)[*:1]
COc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1OC(F)F C1CO[C@@H](C1)[*:1] COc1ccc(cc1OC(F)F)NC(=O)NC[*:1]
COc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])NC(=O)NC[C@@H]1CCCO1
COc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1OC(F)F C1CO[C@@H](C1)C[*:1] COc1ccc(cc1OC(F)F)NC(=O)N[*:1]
COc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])NC(=O)NC[C@@H]1CCCO1
CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cc2ccon2)cc1 c1cc(no1)[*:1] CC(C)(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)C[*:1]
CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cc2ccon2)cc1 c1cc(C[*:1])no1 CC(C)(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)[*:1]
CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cc2ccon2)cc1 CC(C)(C)[*:1] O=C(Cc1ccon1)N1CCC[C@H]1c1ccc(cc1)[*:1]
Cc1ccc([C@H]2C[C@@H]2C(=O)N(C)Cc2nccn2Cc2ccccc2)s1 Cc1ccc(s1)[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)[C@H]1C[C@@H]1[*:1]
Cc1ccc([C@H]2C[C@@H]2C(=O)N(C)Cc2nccn2Cc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)[C@H]1C[C@@H]1C(=O)N(C)Cc1nccn1C[*:1]
Cc1ccc([C@H]2C[C@@H]2C(=O)N(C)Cc2nccn2Cc2ccccc2)s1 c1ccc(cc1)C[*:1] Cc1ccc(s1)[C@H]1C[C@@H]1C(=O)N(C)Cc1nccn1[*:1]
CCc1nn(C)c(CC)c1C[NH+](C)Cc1nc(C)cs1 Cc1csc(n1)[*:1] CCc1nn(C)c(CC)c1C[NH+](C)C[*:1]
CC(C)CC(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 CC(C)[*:1] CC(C)(C)OC(=O)NCC1(CCCC1)NC(=O)C[*:1]
CC(C)CC(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 CC(C)CC(=O)N[*:1] CC(C)(C)OC(=O)NCC1(CCCC1)[*:1]
CC(C)CC(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 CC(C)C[*:1] CC(C)(C)OC(=O)NCC1(CCCC1)NC(=O)[*:1]
CC(C)CC(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 CC(C)(C)[*:1] CC(C)CC(=O)NC1(CCCC1)CNC(=O)O[*:1]
CC(C)OC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 CC(C)OC(=O)[*:1] O=c1oc2cc(OC[*:1])c(Cl)cc2c2CCCCc21
CC(C)OC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 CC(C)[*:1] O=C(COc1cc2oc(=O)c3CCCCc3c2cc1Cl)O[*:1]
CC(C)OC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 CC(C)OC(=O)CO[*:1] O=c1oc2cc(c(Cl)cc2c2CCCCc21)[*:1]
CC(C)OC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 CC(C)OC(=O)C[*:1] O=c1oc2cc(O[*:1])c(Cl)cc2c2CCCCc21
Cc1nc(C[NH+]2CCN(C(=O)c3cn(C[C@@H]4COc5ccccc5O4)nn3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(c1cn(C[C@@H]2COc3ccccc3O2)nn1)N1CC[NH+](CC1)C[*:1]
Cc1nc(C[NH+]2CCN(C(=O)c3cn(C[C@@H]4COc5ccccc5O4)nn3)CC2)cs1 c1ccc2O[C@@H](COc2c1)[*:1] Cc1nc(cs1)C[NH+]1CCN(CC1)C(=O)c1cn(C[*:1])nn1
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 O=[N+]([O-])[*:1] N#C/C(=C\c1cc(ccc1Cl)[*:1])C(=O)Nc1ccc2OCCOc2c1
CCOCc1cccc(CNC(=O)c2cccc(NC(N)=O)c2)c1 CCO[*:1] NC(=O)Nc1cccc(c1)C(=O)NCc1cccc(c1)C[*:1]
CCOCc1cccc(CNC(=O)c2cccc(NC(N)=O)c2)c1 CCOC[*:1] NC(=O)Nc1cccc(c1)C(=O)NCc1cccc(c1)[*:1]
CCOCc1cccc(CNC(=O)c2cccc(NC(N)=O)c2)c1 NC(=O)N[*:1] CCOCc1cccc(c1)CNC(=O)c1cccc(c1)[*:1]
Cc1nnc([C@H](C)N2CCC[C@@H]2c2c(C)nn(C)c2Cl)o1 Cc1nnc(o1)[*:1] Cc1nn(C)c(Cl)c1[C@H]1CCCN1[C@@H](C)[*:1]
C[C@H](NC(=O)NC1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1 C1CCC(CC1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CCCNC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 C(=C[*:1])c1cccs1 CCCNC(=O)c1ccc(cc1)NC(=O)[*:1]
CCCNC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 CCC[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)C(=O)N[*:1]
CCCNC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 c1csc(c1)[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)C=C[*:1]
CCCNC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 CCCNC(=O)[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)[*:1]
COc1cc(Br)c(OC)c(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1 c1cc(co1)[*:1] COc1cc(Br)c(OC)c(c1)C(=O)NC1CCN(CC1)C(=O)[*:1]
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1nc(C2CC2)n2ccccc12 Oc1ccc(cc1)C[*:1] C[C@H](N(C)C(=O)c1nc(C2CC2)n2ccccc12)[*:1]
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1nc(C2CC2)n2ccccc12 Oc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1nc(C2CC2)n2ccccc12
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1nc(n2ccccc12)[*:1]
O=C(/C=C/C1CC1)NCCC[NH+]1CCc2ccccc2C1 C1CC1[*:1] O=C(C=C[*:1])NCCC[NH+]1CCc2ccccc2C1
O=C(/C=C/C1CC1)NCCC[NH+]1CCc2ccccc2C1 C(=C[*:1])C1CC1 O=C(NCCC[NH+]1CCc2ccccc2C1)[*:1]
COC(=O)c1cnn2c1ncc1c(=O)n(-c3cccc([N+](=O)[O-])c3)ccc12 COC(=O)[*:1] O=c1c2cnc3c(cnn3c2ccn1-c1cccc(c1)[N+](=O)[O-])[*:1]
COC(=O)c1cnn2c1ncc1c(=O)n(-c3cccc([N+](=O)[O-])c3)ccc12 O=[N+]([O-])[*:1] COC(=O)c1cnn2c1ncc1c(=O)n(ccc12)-c1cccc(c1)[*:1]
COC(=O)c1cnn2c1ncc1c(=O)n(-c3cccc([N+](=O)[O-])c3)ccc12 O=[N+]([O-])c1cccc(c1)[*:1] COC(=O)c1cnn2c1ncc1c(=O)n(ccc12)[*:1]
Cc1ccc(C)c(N[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 O=S1(=O)CC[C@H](C1)[*:1] Cc1ccc(C)c(c1)N[C@@H](C)C(=O)N(C)[*:1]
COC(=O)c1cc(O)c2c(c1)OC(C)(C)C2 COC(=O)[*:1] CC1(C)Cc2c(O)cc(cc2O1)[*:1]
Fc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3Cc3cccnc3)n2)cc1Cl c1cncc(c1)[*:1] Fc1ccc(cc1Cl)-c1noc(n1)[C@@H]1Cc2[nH]c[nH+]c2CN1C[*:1]
Fc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3Cc3cccnc3)n2)cc1Cl c1cncc(c1)C[*:1] Fc1ccc(cc1Cl)-c1noc(n1)[C@@H]1Cc2[nH]c[nH+]c2CN1[*:1]
Fc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3Cc3cccnc3)n2)cc1Cl Fc1ccc(cc1Cl)[*:1] c1cncc(c1)CN1Cc2[nH+]c[nH]c2C[C@H]1c1nc(no1)[*:1]
CC(C)CC[NH+]1CCN(C(=O)NCc2coc(-c3ccccc3)n2)CC1 CC(C)C[*:1] O=C(NCc1coc(n1)-c1ccccc1)N1CC[NH+](CC1)C[*:1]
CC(C)CC[NH+]1CCN(C(=O)NCc2coc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] CC(C)CC[NH+]1CCN(CC1)C(=O)NCc1coc(n1)[*:1]
CC(C)CC[NH+]1CCN(C(=O)NCc2coc(-c3ccccc3)n2)CC1 CC(C)CC[*:1] O=C(NCc1coc(n1)-c1ccccc1)N1CC[NH+](CC1)[*:1]
CC(C)CC[NH+]1CCN(C(=O)NCc2coc(-c3ccccc3)n2)CC1 CC(C)[*:1] O=C(NCc1coc(n1)-c1ccccc1)N1CC[NH+](CC1)CC[*:1]
C[C@H]1Cc2ccccc2N1C(=O)CN1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)CN1CC[NH+](CC1)Cc1nc(no1)[*:1]
C[C@@H](Cn1ccnc1)[NH2+][C@H]1CC(C)(C)OC1(C)C c1cn(cn1)C[*:1] C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)[*:1]
C[C@@H](Cn1ccnc1)[NH2+][C@H]1CC(C)(C)OC1(C)C c1cn(cn1)[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CC(C)(C)OC1(C)C
O=C(/C=C/c1cccs1)OCc1ccc(-n2ccnc2)nc1 C(=C[*:1])c1cccs1 O=C(OCc1ccc(nc1)-n1ccnc1)[*:1]
O=C(/C=C/c1cccs1)OCc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] O=C(/C=C/c1cccs1)OCc1ccc(nc1)[*:1]
O=C(/C=C/c1cccs1)OCc1ccc(-n2ccnc2)nc1 c1csc(c1)[*:1] O=C(C=C[*:1])OCc1ccc(nc1)-n1ccnc1
OC[C@H](Nc1nc(C2CC2)no1)c1ccc(Cl)c(F)c1 C1CC1[*:1] OC[C@H](Nc1nc(no1)[*:1])c1ccc(Cl)c(F)c1
COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1NC(=O)c1ccc(o1)[*:1])C(=O)Nc1cc(Cl)ccc1Cl
COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc([N+](=O)[O-])o1 Clc1ccc(Cl)c(c1)[*:1] COC(=O)c1ccc(cc1NC(=O)c1ccc(o1)[N+](=O)[O-])C(=O)N[*:1]
COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc([N+](=O)[O-])o1 COC(=O)[*:1] O=C(Nc1cc(Cl)ccc1Cl)c1ccc(c(c1)NC(=O)c1ccc(o1)[N+](=O)[O-])[*:1]
COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] COC(=O)c1ccc(cc1NC(=O)[*:1])C(=O)Nc1cc(Cl)ccc1Cl
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N[C@@H](C)c1cn(C)nc1C Cc1nn(C)cc1[*:1] CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N[C@@H](C)[*:1]
Cc1csc([C@@H](NC(=O)Nc2ccc3c(c2)COC3)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)Nc1ccc2COCc2c1)[*:1]
Cc1csc([C@@H](NC(=O)Nc2ccc3c(c2)COC3)C2CC2)n1 Cc1csc(n1)[*:1] O=C(Nc1ccc2COCc2c1)N[C@@H](C1CC1)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(Nc1ccc2OCCOc2c1)C1CCN(CC1)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(Nc1ccc2OCCOc2c1)C1CCN(CC1)c1ccccc1[*:1]
CSC[C@@H](C)N(C)c1ccc(F)cc1C#N CSC[*:1] C[C@@H](N(C)c1ccc(F)cc1C#N)[*:1]
O=C(c1nn(CCCc2ccccc2)c2c1C[NH+](C1CCOCC1)CC2)N1CCOCC1 c1ccc(cc1)[*:1] O=C(c1nn(CCC[*:1])c2CC[NH+](Cc12)C1CCOCC1)N1CCOCC1
O=C(c1nn(CCCc2ccccc2)c2c1C[NH+](C1CCOCC1)CC2)N1CCOCC1 c1ccc(cc1)CCC[*:1] O=C(c1nn(c2CC[NH+](Cc12)C1CCOCC1)[*:1])N1CCOCC1
O=C(c1nn(CCCc2ccccc2)c2c1C[NH+](C1CCOCC1)CC2)N1CCOCC1 c1ccc(cc1)C[*:1] O=C(c1nn(CC[*:1])c2CC[NH+](Cc12)C1CCOCC1)N1CCOCC1
O=C(c1nn(CCCc2ccccc2)c2c1C[NH+](C1CCOCC1)CC2)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1ccc(cc1)CCCn1nc(c2C[NH+](CCc21)C1CCOCC1)[*:1]
O=C(c1nn(CCCc2ccccc2)c2c1C[NH+](C1CCOCC1)CC2)N1CCOCC1 c1ccc(cc1)CC[*:1] O=C(c1nn(C[*:1])c2CC[NH+](Cc12)C1CCOCC1)N1CCOCC1
CN(C[C@@H]1CCOC1)C(=O)c1cccc(SCC#N)c1 N#CCS[*:1] CN(C[C@@H]1CCOC1)C(=O)c1cccc(c1)[*:1]
CN(C[C@@H]1CCOC1)C(=O)c1cccc(SCC#N)c1 N#CC[*:1] CN(C[C@@H]1CCOC1)C(=O)c1cccc(c1)S[*:1]
CN(C[C@@H]1CCOC1)C(=O)c1cccc(SCC#N)c1 C1C[C@H](CO1)C[*:1] CN(C(=O)c1cccc(c1)SCC#N)[*:1]
CN(C[C@@H]1CCOC1)C(=O)c1cccc(SCC#N)c1 C1C[C@H](CO1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)SCC#N
CN(C)C(=O)c1cc(NCc2ccc(S(=O)(=O)N(C)C)o2)ccc1F CN(C)S(=O)(=O)[*:1] CN(C)C(=O)c1cc(ccc1F)NCc1ccc(o1)[*:1]
CN(C)C(=O)c1cc(NCc2ccc(S(=O)(=O)N(C)C)o2)ccc1F CN(C)C(=O)[*:1] CN(C)S(=O)(=O)c1ccc(CNc2ccc(F)c(c2)[*:1])o1
CC(C)CC(C)(C)C(=O)NC[C@H](O)C1CCOCC1 CC(C)[*:1] CC(C)(C[*:1])C(=O)NC[C@H](O)C1CCOCC1
CC(C)CC(C)(C)C(=O)NC[C@H](O)C1CCOCC1 CC(C)C[*:1] CC(C)(C(=O)NC[C@H](O)C1CCOCC1)[*:1]
CC(C)CC(C)(C)C(=O)NC[C@H](O)C1CCOCC1 C1CC(CCO1)[*:1] CC(C)CC(C)(C)C(=O)NC[C@H](O)[*:1]
Cc1ccccc1[C@@H](C[NH3+])C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1ccccc1[C@@H](C[NH3+])C[*:1]
C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1nnc(C2CC2)s1 C1CC1[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1nnc(s1)[*:1]
O=S(=O)(NCCCn1ccnc1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCCCn1ccnc1[*:1])c1ccccc1
O=S(=O)(NCCCn1ccnc1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCCCn1ccnc1-c1ccccc1)[*:1]
CCSc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 NC(=O)[*:1] CCSc1ccc(cc1)CC(=O)Nc1sc2CCCCCc2c1[*:1]
CCSc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 CCS[*:1] NC(=O)c1c(NC(=O)Cc2ccc(cc2)[*:1])sc2CCCCCc21
C=CCCC[C@@]1(C(=O)[O-])CC[C@H](C)C1 O=C([O-])[*:1] C=CCCC[C@]1(CC[C@H](C)C1)[*:1]
C=CCCC[C@@]1(C(=O)[O-])CC[C@H](C)C1 C=CCC[*:1] C[C@H]1CC[C@@](C1)(C[*:1])C(=O)[O-]
C=CCCC[C@@]1(C(=O)[O-])CC[C@H](C)C1 C=CC[*:1] C[C@H]1CC[C@](CC[*:1])(C1)C(=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccncc1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)c1ccncc1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)[*:1])[N+](=O)[O-]
COc1cc2s/c(=N\C(=O)Cc3ccccc3)n(CCSC)c2cc1OC c1ccc(cc1)C[*:1] COc1cc2s/c(=N\C(=O)[*:1])n(CCSC)c2cc1OC
COc1cc2s/c(=N\C(=O)Cc3ccccc3)n(CCSC)c2cc1OC c1ccc(cc1)[*:1] COc1cc2s/c(=N\C(=O)C[*:1])n(CCSC)c2cc1OC
COc1cc2s/c(=N\C(=O)Cc3ccccc3)n(CCSC)c2cc1OC CSCC[*:1] COc1cc2s/c(=N\C(=O)Cc3ccccc3)n(c2cc1OC)[*:1]
COc1cc2s/c(=N\C(=O)Cc3ccccc3)n(CCSC)c2cc1OC CSC[*:1] COc1cc2s/c(=N\C(=O)Cc3ccccc3)n(C[*:1])c2cc1OC
COc1ccc2nc(NC(=O)N3CCO[C@H](c4cccc(F)c4)C3)sc2c1 Fc1cccc(c1)[*:1] COc1ccc2nc(NC(=O)N3CCO[C@H](C3)[*:1])sc2c1
Cc1nnc2ccc(N(CCS(C)(=O)=O)C3CC3)nn12 CS(=O)(=O)C[*:1] Cc1nnc2ccc(nn12)N(C[*:1])C1CC1
Cc1nnc2ccc(N(CCS(C)(=O)=O)C3CC3)nn12 C1CC1[*:1] Cc1nnc2ccc(nn12)N(CCS(C)(=O)=O)[*:1]
Cc1nnc2ccc(N(CCS(C)(=O)=O)C3CC3)nn12 CS(=O)(=O)CC[*:1] Cc1nnc2ccc(nn12)N(C1CC1)[*:1]
Cc1nnc2ccc(N(CCS(C)(=O)=O)C3CC3)nn12 CS(=O)(=O)[*:1] Cc1nnc2ccc(nn12)N(CC[*:1])C1CC1
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H](C)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H](C)[*:1]
Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccccc2)c2ccccn2)cc1 c1snnc1[*:1] Cc1ccc(cc1)N(C(=O)[*:1])[C@@H](C(=O)NCc1ccccc1)c1ccccn1
Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccccc2)c2ccccn2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccccc1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)[*:1]
Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccccc2)c2ccccn2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N(C(=O)c1csnn1)[C@@H](C(=O)NC[*:1])c1ccccn1
Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccccc2)c2ccccn2)cc1 O=C(NCc1ccccc1)[*:1] Cc1ccc(cc1)N(C(=O)c1csnn1)[C@@H](c1ccccn1)[*:1]
Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccccc2)c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)N(C(=O)c1csnn1)[C@@H](C(=O)NCc1ccccc1)[*:1]
Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccccc2)c2ccccn2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)N(C(=O)c1csnn1)[C@@H](C(=O)N[*:1])c1ccccn1
O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)COc3ccc(Cl)cc3)C2)s1 O=C(Nc1cccc(Cl)c1)[*:1] O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)COc3ccc(Cl)cc3)C2)s1 Clc1ccc(cc1)OC[*:1] O=C(Nc1cccc(Cl)c1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)COc3ccc(Cl)cc3)C2)s1 Clc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)CO[*:1]
O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)COc3ccc(Cl)cc3)C2)s1 Clc1cccc(c1)[*:1] O=C(N[*:1])c1nnc(s1)[C@H]1CCCN(C1)C(=O)COc1ccc(Cl)cc1
O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)COc3ccc(Cl)cc3)C2)s1 Clc1ccc(cc1)O[*:1] O=C(Nc1cccc(Cl)c1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)C[*:1]
CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C(C)=O)cc2)c1 CC(=O)[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C(C)=O)cc2)c1 CC(=O)N[*:1] CC(=O)c1ccc(cc1)NC(=O)c1cc(ccc1F)[*:1]
N#CCN(CC#N)C(=O)c1cccc(Br)c1 N#CC[*:1] N#CCN(C(=O)c1cccc(Br)c1)[*:1]
C[C@@H]([NH2+]Cc1ccc(C(N)=O)o1)c1nc2c(s1)CCCC2 NC(=O)[*:1] C[C@@H]([NH2+]Cc1ccc(o1)[*:1])c1nc2CCCCc2s1
CCC(CC)[NH2+]Cc1cc(F)ccc1F CCC(CC)[*:1] Fc1ccc(F)c(c1)C[NH2+][*:1]
CCOc1ccc(NC(=O)c2c(F)cc(Br)cc2F)cn1 CCO[*:1] O=C(Nc1ccc(nc1)[*:1])c1c(F)cc(Br)cc1F
CC(C)[NH2+]CC1CCN(C(F)(F)F)CC1 CC(C)[*:1] FC(F)(F)N1CCC(CC1)C[NH2+][*:1]
CC(C)[NH2+]CC1CCN(C(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)[NH2+]CC1CCN(CC1)[*:1]
CC(C)[NH2+]CC1CCN(C(F)(F)F)CC1 CC(C)[NH2+]C[*:1] FC(F)(F)N1CCC(CC1)[*:1]
CC[C@@H]1CN(C(=O)c2ccc(-n3cncn3)cc2C)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@@H]1[*:1])C(=O)c1ccc(cc1C)-n1cncn1
CC[C@@H]1CN(C(=O)c2ccc(-n3cncn3)cc2C)CC[C@H]1c1ccccc1 c1ncn(n1)[*:1] CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)c1ccc(cc1C)[*:1]
COc1ccc(C)cc1NC(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl CC(C)C[*:1] COc1ccc(C)cc1NC(=O)/C=C/c1c(C)nn(c1Cl)[*:1]
COc1ccc(C)cc1NC(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl CC(C)[*:1] COc1ccc(C)cc1NC(=O)/C=C/c1c(C)nn(C[*:1])c1Cl
C[C@@H]1Sc2ccc(S(=O)(=O)NCc3ccco3)cc2NC1=O c1coc(c1)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)NC[*:1]
C[C@@H]1Sc2ccc(S(=O)(=O)NCc3ccco3)cc2NC1=O c1coc(c1)C[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)N[*:1]
CCOC(=O)c1nc(-c2ccccc2)[nH]c1C(C)(C)C CCOC(=O)[*:1] CC(C)(C)c1[nH]c(nc1[*:1])-c1ccccc1
CCOC(=O)c1nc(-c2ccccc2)[nH]c1C(C)(C)C c1ccc(cc1)[*:1] CCOC(=O)c1nc([nH]c1C(C)(C)C)[*:1]
CCOC(=O)c1nc(-c2ccccc2)[nH]c1C(C)(C)C CC(C)(C)[*:1] CCOC(=O)c1nc([nH]c1[*:1])-c1ccccc1
CC[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(C)cc1 C1CO[C@H](C1)[*:1] CC[C@@H](NC(=O)[*:1])c1ccc(C)cc1
COc1ccc(/C=C(\C#N)C(=O)NCc2ccnc(-n3cccn3)c2)cc1 c1cnn(c1)[*:1] COc1ccc(/C=C(\C#N)C(=O)NCc2ccnc(c2)[*:1])cc1
COc1ccc(/C=C(\C#N)C(=O)NCc2ccnc(-n3cccn3)c2)cc1 COc1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)NCc1ccnc(c1)-n1cccn1
CCOc1ccc2c(C(=O)N3CCc4cc(OC)c(OC)cc4C3)cc(=O)oc2c1 CCO[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)c1cc(=O)oc2cc(ccc12)[*:1]
CC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 CC[C@H](C)[*:1] Cc1cc(nn1-c1ccc(Br)cc1)C(=O)N[*:1]
O=C(Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)NCC(F)(F)F FC(F)(F)[*:1] O=C(Cn1c(nc2ccccc21)-c1cccc(Cl)c1Cl)NC[*:1]
O=C(Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] Clc1cccc(c1Cl)-c1nc2ccccc2n1C[*:1]
O=C(Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)NCC(F)(F)F FC(F)(F)C[*:1] O=C(Cn1c(nc2ccccc21)-c1cccc(Cl)c1Cl)N[*:1]
O=C(Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)NCC(F)(F)F Clc1cccc(c1Cl)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])NCC(F)(F)F
C=C(C)CNC(=S)NNC(=O)c1ccncc1 C=C(C)[*:1] O=C(NNC(=S)NC[*:1])c1ccncc1
C=C(C)CNC(=S)NNC(=O)c1ccncc1 C=C(C)C[*:1] O=C(NNC(=S)N[*:1])c1ccncc1
COc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])CN1CC[C@H](C1)C[NH+]1CCCC1
COc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])CN1CC[C@H](C1)C[NH+]1CCCC1
C[NH+](C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 c1ccc2oc(cc2c1)[*:1] C[NH+](C)CCN1C(=O)C(=O)/C(=C(/O)[*:1])[C@@H]1c1ccccn1
C[NH+](C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 c1ccc(nc1)[*:1] C[NH+](C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@H]1[*:1]
CN(C(=O)NCc1cccnc1-n1cncn1)C1CCC1 c1ncn(n1)[*:1] CN(C(=O)NCc1cccnc1[*:1])C1CCC1
CN(C(=O)NCc1cccnc1-n1cncn1)C1CCC1 C1CC(C1)[*:1] CN(C(=O)NCc1cccnc1-n1cncn1)[*:1]
COc1cc(C(=O)Nc2ccccc2Cl)ccc1OCc1cscn1 c1nc(cs1)[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1ccccc1Cl
COc1cc(C(=O)Nc2ccccc2Cl)ccc1OCc1cscn1 Clc1ccccc1[*:1] COc1cc(ccc1OCc1cscn1)C(=O)N[*:1]
COc1cc(C(=O)Nc2ccccc2Cl)ccc1OCc1cscn1 c1nc(cs1)C[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1ccccc1Cl
COc1cc(C(=O)Nc2ccccc2Cl)ccc1OCc1cscn1 c1nc(cs1)CO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1ccccc1Cl
CC(C)COS(=O)(=O)[O-] CC(C)[*:1] O=S(=O)([O-])OC[*:1]
COc1ccc(OC)c(NC(=O)[C@H]2CCCN(C(=O)[C@@H]3C=c4ccccc4=[NH+]3)C2)c1 COc1ccc(OC)c(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)[C@@H]1C=c2ccccc2=[NH+]1
CCn1cnnc1CNC(=O)c1cccc(-n2cccn2)n1 CCn1cnnc1[*:1] O=C(NC[*:1])c1cccc(n1)-n1cccn1
CCn1cnnc1CNC(=O)c1cccc(-n2cccn2)n1 c1cnn(c1)[*:1] CCn1cnnc1CNC(=O)c1cccc(n1)[*:1]
Brc1cnc(Sc2nc(Cc3cccs3)n[nH]2)nc1 c1csc(c1)C[*:1] Brc1cnc(nc1)Sc1nc(n[nH]1)[*:1]
Brc1cnc(Sc2nc(Cc3cccs3)n[nH]2)nc1 c1csc(c1)[*:1] Brc1cnc(nc1)Sc1nc(C[*:1])n[nH]1
CN(C)c1ccc(-c2c(C#N)c(N)c(C#N)c3c2CCCCCC3)cc1 CN(C)[*:1] N#Cc1c(N)c(C#N)c(-c2ccc(cc2)[*:1])c2CCCCCCc12
O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)Nc2cccs2)C1 c1csc(c1)[*:1] O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)Nc2cccs2)C1 Clc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)Nc1cccs1
Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(C(N)=O)CC1 NC(=O)[*:1] Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(CC1)[*:1]
CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc(C(F)(F)F)c12 CC(C)[*:1] O=C(c1ccccn1)N1CCC[C@H](C1)c1cc(c2c(n[nH]c2n1)N[*:1])C(F)(F)F
CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc(C(F)(F)F)c12 CC(C)N[*:1] O=C(c1ccccn1)N1CCC[C@H](C1)c1cc(c2c(n[nH]c2n1)[*:1])C(F)(F)F
CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc(C(F)(F)F)c12 FC(F)(F)[*:1] CC(C)Nc1n[nH]c2nc(cc(c12)[*:1])[C@@H]1CCCN(C1)C(=O)c1ccccn1
CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc(C(F)(F)F)c12 c1ccc(nc1)[*:1] CC(C)Nc1n[nH]c2nc(cc(c12)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)[*:1]
CCc1cccc(C)c1NC(=O)[C@H](C)[S@@](=O)Cc1ccc(C(=O)NC)cc1 CNC(=O)[*:1] CCc1cccc(C)c1NC(=O)[C@H](C)[S@@](=O)Cc1ccc(cc1)[*:1]
CCc1cccc(C)c1NC(=O)[C@H](C)[S@@](=O)Cc1ccc(C(=O)NC)cc1 CCc1cccc(C)c1[*:1] CNC(=O)c1ccc(cc1)C[S@](=O)[C@@H](C)C(=O)N[*:1]
COc1ccc(C)cc1NCC(=O)NC(C)(C)C CC(C)(C)[*:1] COc1ccc(C)cc1NCC(=O)N[*:1]
Cc1cc(Cl)c(N)cc1S(=O)(=O)NCC(F)(F)F FC(F)(F)C[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)N[*:1]
Cc1cc(Cl)c(N)cc1S(=O)(=O)NCC(F)(F)F FC(F)(F)[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)NC[*:1]
Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1)[*:1]
CC(C)(C1=C[C@H]2OCO[C@@H]2C=C1)c1nnco1 c1nnc(o1)[*:1] CC(C)(C1C=C[C@H]2OCO[C@@H]2C=1)[*:1]
C=CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@@H](C)CC CC[C@H](C)C[*:1] C=CC(=O)N[C@@H](C)c1nc2ccccc2n1[*:1]
C=CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@@H](C)CC C=CC(=O)N[*:1] CC[C@H](C)Cn1c(nc2ccccc21)[C@H](C)[*:1]
C=CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@@H](C)CC CC[C@H](C)[*:1] C=CC(=O)N[C@@H](C)c1nc2ccccc2n1C[*:1]
C=CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@@H](C)CC C=CC(=O)N[C@@H](C)[*:1] CC[C@H](C)Cn1c(nc2ccccc21)[*:1]
Cc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)-c1cc2nc3CCCCc3c(n2n1)[*:1]
Cc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1 Cc1cccc(c1)[*:1] c1c(nn2c(c3CCCCc3nc12)N1CCOCC1)[*:1]
CC(C)C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 c1ccc(cc1)C[*:1] CC(C)C(=O)Oc1ccc2cc(C(=O)NC[*:1])c(=O)oc2c1
CC(C)C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 c1ccc(cc1)[*:1] CC(C)C(=O)Oc1ccc2cc(C(=O)NCC[*:1])c(=O)oc2c1
CC(C)C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 CC(C)C(=O)O[*:1] O=C(NCCc1ccccc1)c1cc2ccc(cc2oc1=O)[*:1]
CC(C)C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 CC(C)[*:1] O=C(NCCc1ccccc1)c1cc2ccc(cc2oc1=O)OC(=O)[*:1]
CC(C)C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 c1ccc(cc1)CC[*:1] CC(C)C(=O)Oc1ccc2cc(C(=O)N[*:1])c(=O)oc2c1
CCn1c(-c2nc(C(=O)Nc3cc(NC(C)=O)ccc3OC)cs2)cc2ccccc21 CC(=O)N[*:1] CCn1c(cc2ccccc21)-c1nc(cs1)C(=O)Nc1cc(ccc1OC)[*:1]
Cc1ccc(N2C(=O)C[C@@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C2C(=O)CC(C)(C)CC=21)[*:1]
Cc1ccc(N2C(=O)C[C@@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)cc1 Cc1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(=O)C[C@H]2c1ccc2OCOc2c1)[*:1]
COC(=O)N1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2C#N)C1 c1ccc2sc(nc2c1)[*:1] COC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
COc1ccc(Cc2nc3ccc(C(=O)NCCNC(C)=O)cc3o2)cc1 CC(=O)NCC[*:1] COc1ccc(cc1)Cc1nc2ccc(cc2o1)C(=O)N[*:1]
COc1ccc(Cc2nc3ccc(C(=O)NCCNC(C)=O)cc3o2)cc1 CC(=O)N[*:1] COc1ccc(cc1)Cc1nc2ccc(cc2o1)C(=O)NCC[*:1]
COc1ccc(Cc2nc3ccc(C(=O)NCCNC(C)=O)cc3o2)cc1 COc1ccc(cc1)[*:1] CC(=O)NCCNC(=O)c1ccc2nc(C[*:1])oc2c1
COc1ccc(Cc2nc3ccc(C(=O)NCCNC(C)=O)cc3o2)cc1 CC(=O)NCCNC(=O)[*:1] COc1ccc(cc1)Cc1nc2ccc(cc2o1)[*:1]
COc1ccc(Cc2nc3ccc(C(=O)NCCNC(C)=O)cc3o2)cc1 CC(=O)NC[*:1] COc1ccc(cc1)Cc1nc2ccc(cc2o1)C(=O)NC[*:1]
COc1ccc(Cc2nc3ccc(C(=O)NCCNC(C)=O)cc3o2)cc1 COc1ccc(cc1)C[*:1] CC(=O)NCCNC(=O)c1ccc2nc(oc2c1)[*:1]
C=CCn1cc(C[NH+](Cc2c(C)nn(C)c2C)C(C)C)c(C)n1 CC(C)[*:1] C=CCn1cc(C[NH+](Cc2c(C)nn(C)c2C)[*:1])c(C)n1
C=CCn1cc(C[NH+](Cc2c(C)nn(C)c2C)C(C)C)c(C)n1 C=CC[*:1] Cc1nn(cc1C[NH+](Cc1c(C)nn(C)c1C)C(C)C)[*:1]
O=C(N[C@H](CO)c1ccccc1F)[C@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(N[C@H](CO)c1ccccc1F)[C@H]1C[C@H]1[*:1]
O=C(N[C@H](CO)c1ccccc1F)[C@H]1C[C@@H]1c1cccc(Cl)c1 Fc1ccccc1[*:1] O=C(N[C@H](CO)[*:1])[C@H]1C[C@@H]1c1cccc(Cl)c1
C[C@H](NC(=O)C#Cc1ccccc1)C(=O)N1CCCC[C@@H]1C c1ccc(cc1)[*:1] C[C@H](NC(=O)C#C[*:1])C(=O)N1CCCC[C@@H]1C
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 CC(C)[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)c1cnn(c1C)[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 CC[S@@](=O)[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
Cc1ccc(NC(=O)C[C@H]2SC[C@H](C(=O)[O-])NC2=O)cc1 O=C([O-])[*:1] Cc1ccc(cc1)NC(=O)C[C@H]1SC[C@H](NC1=O)[*:1]
Cc1ccc(NC(=O)C[C@H]2SC[C@H](C(=O)[O-])NC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@H]1SC[C@@H](NC1=O)C(=O)[O-])N[*:1]
O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O c1cncc(c1)[*:1] O=C(Nc1cccc(c1)C(=O)c1ccccc1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O c1cncc(c1)C[*:1] O=C(Nc1cccc(c1)C(=O)c1ccccc1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O O=C(c1ccccc1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2C(=O)N(Cc3cccnc3)C(=O)c2c1
O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C(=O)[*:1])c1ccc2C(=O)N(Cc3cccnc3)C(=O)c2c1
CCCOc1cccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)c1 NS(=O)(=O)[*:1] CCCOc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CCCOc1cccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)c1 CCC[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)O[*:1]
CCCOc1cccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)c1 CCCO[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 c1ccc2sc(nc2c1)[*:1] C[C@@H](N(C)C(=O)CNc1ccc(cc1)S(=O)(=O)N1CCCCCC1)[*:1]
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 O=S(=O)(N1CCCCCC1)[*:1] C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNc1ccc(cc1)[*:1]
Cc1occc1C(=O)N[C@H](c1cccs1)C1CCCC1 Cc1occc1[*:1] O=C(N[C@H](c1cccs1)C1CCCC1)[*:1]
Cc1occc1C(=O)N[C@H](c1cccs1)C1CCCC1 C1CCC(C1)[*:1] Cc1occc1C(=O)N[C@H](c1cccs1)[*:1]
Cc1occc1C(=O)N[C@H](c1cccs1)C1CCCC1 c1csc(c1)[*:1] Cc1occc1C(=O)N[C@H](C1CCCC1)[*:1]
CC(C)CS(=O)(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 CC(C)C[*:1] O=C1c2cc(ccc2OCC[C@H]2CCCCN12)NS(=O)(=O)[*:1]
CC(C)CS(=O)(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 CC(C)[*:1] O=C1c2cc(ccc2OCC[C@H]2CCCCN12)NS(=O)(=O)C[*:1]
CC(C)CS(=O)(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 CC(C)CS(=O)(=O)N[*:1] O=C1c2cc(ccc2OCC[C@H]2CCCCN12)[*:1]
Cc1ccc2c(c1)N(S(=O)(=O)c1nnc(NC(=O)[C@@H](C)Oc3ccccc3)s1)[C@H](C)C2 c1ccc(cc1)[*:1] Cc1ccc2C[C@@H](C)N(c2c1)S(=O)(=O)c1nnc(NC(=O)[C@@H](C)O[*:1])s1
Cc1ccc2c(c1)N(S(=O)(=O)c1nnc(NC(=O)[C@@H](C)Oc3ccccc3)s1)[C@H](C)C2 c1ccc(cc1)O[*:1] Cc1ccc2C[C@@H](C)N(c2c1)S(=O)(=O)c1nnc(NC(=O)[C@@H](C)[*:1])s1
Cc1ccc2c(c1)N(S(=O)(=O)c1nnc(NC(=O)[C@@H](C)Oc3ccccc3)s1)[C@H](C)C2 C[C@@H](Oc1ccccc1)[*:1] Cc1ccc2C[C@@H](C)N(c2c1)S(=O)(=O)c1nnc(NC(=O)[*:1])s1
Cc1cc(NC(=O)CN2CCS(=O)(=O)CC2)n(C(C)(C)C)n1 CC(C)(C)[*:1] Cc1cc(NC(=O)CN2CCS(=O)(=O)CC2)n(n1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2)cc1 C[C@@H](c1ccccc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(C)CC(=O)N[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2)cc1 CC(=O)[*:1] C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(cc1)[*:1])c1ccccc1
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(C)CC(=O)N[C@@H](C)[*:1]
N#Cc1cccnc1N1CCC(CNC(=O)c2ccccn2)CC1 c1ccc(nc1)[*:1] N#Cc1cccnc1N1CCC(CC1)CNC(=O)[*:1]
N#Cc1cccnc1N1CCC(CNC(=O)c2ccccn2)CC1 N#Cc1cccnc1[*:1] O=C(NCC1CCN(CC1)[*:1])c1ccccn1
C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1cc2ccccc2o1 O=S1(=O)CCCN1[*:1] C[C@H]([NH2+]CC[*:1])c1cc2ccccc2o1
CC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)s1 CC(=O)N[*:1] N#C[C@H](C(=O)c1ccc(C[*:1])s1)c1nc(cs1)-c1ccccc1
CC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)s1 CC(=O)NC[*:1] N#C[C@H](C(=O)c1ccc(s1)[*:1])c1nc(cs1)-c1ccccc1
CC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)s1 c1ccc(cc1)[*:1] CC(=O)NCc1ccc(s1)C(=O)[C@@H](C#N)c1nc(cs1)[*:1]
OCCC[C@@H]1CN(Cc2ccc(F)c(Cl)c2F)CC[C@@H]1N1CCOCC1 OCC[*:1] Fc1ccc(CN2CC[C@@H]([C@@H](C2)C[*:1])N2CCOCC2)c(F)c1Cl
OCCC[C@@H]1CN(Cc2ccc(F)c(Cl)c2F)CC[C@@H]1N1CCOCC1 C1CN(CCO1)[*:1] OCCC[C@@H]1CN(CC[C@H]1[*:1])Cc1ccc(F)c(Cl)c1F
OCCC[C@@H]1CN(Cc2ccc(F)c(Cl)c2F)CC[C@@H]1N1CCOCC1 OCCC[*:1] Fc1ccc(CN2CC[C@@H]([C@@H](C2)[*:1])N2CCOCC2)c(F)c1Cl
CCNC(=O)c1ccc(OCC[C@H]2CCC[NH2+]C2)nn1 CCNC(=O)[*:1] c1cc(nnc1OCC[C@H]1CCC[NH2+]C1)[*:1]
Cc1nc(C)c(C(=O)N2CCC([C@H](C)C(=O)[O-])CC2)s1 O=C([O-])[*:1] Cc1nc(C)c(s1)C(=O)N1CCC(CC1)[C@H](C)[*:1]
O=C(c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 Fc1ccc(c(F)c1)[*:1] O=C(c1cccc(Cl)c1Cl)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccc(F)cc1F)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 Clc1cccc(c1Cl)[*:1] O=C(c1ccc(F)cc1F)N1CCN(CC1)C(=O)[*:1]
O=C1CSC(=O)N1c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C1CSC(=O)N1c1ccc(cc1)[*:1]
O=C1CSC(=O)N1c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C1CSC(=O)N1c1ccc(cc1)O[*:1]
Cc1occc1-c1nnc(SCc2ccc(F)cc2)n1N Cc1occc1[*:1] Nn1c(nnc1[*:1])SCc1ccc(F)cc1
Cc1occc1-c1nnc(SCc2ccc(F)cc2)n1N Fc1ccc(cc1)[*:1] Cc1occc1-c1nnc(SC[*:1])n1N
COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cc2c(C)noc2C)C3)nn1 COc1ccc(nn1)[*:1] Cc1noc(C)c1CC(=O)NC[C@H]1Cc2cc(F)cc(c2O1)[*:1]
COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cc2c(C)noc2C)C3)nn1 Cc1noc(C)c1C[*:1] COc1ccc(nn1)-c1cc(F)cc2C[C@H](CNC(=O)[*:1])Oc21
COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cc2c(C)noc2C)C3)nn1 Cc1noc(C)c1[*:1] COc1ccc(nn1)-c1cc(F)cc2C[C@H](CNC(=O)C[*:1])Oc21
C[C@H](Cn1cncn1)NS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] C[C@H](Cn1cncn1)NS(=O)(=O)c1cccc(c1)[*:1]
C[C@H](Cn1cncn1)NS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1 c1ncn(C[*:1])n1 C[C@H](NS(=O)(=O)c1cccc(c1)C(=O)N1CCCCC1)[*:1]
C[C@H](Cn1cncn1)NS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1 c1ncn(n1)[*:1] C[C@H](C[*:1])NS(=O)(=O)c1cccc(c1)C(=O)N1CCCCC1
CC[C@@H](Nc1ncnc2sc(C(=O)N3CCN(C(C)=O)CC3)c(C)c12)c1cccs1 c1csc(c1)[*:1] CC[C@@H](Nc1ncnc2sc(C(=O)N3CCN(CC3)C(C)=O)c(C)c12)[*:1]
COCCN(C)C(=O)[C@H]1COc2ccc(F)cc2C1 COCC[*:1] CN(C(=O)[C@H]1COc2ccc(F)cc2C1)[*:1]
COCCN(C)C(=O)[C@H]1COc2ccc(F)cc2C1 COC[*:1] CN(C[*:1])C(=O)[C@H]1COc2ccc(F)cc2C1
COc1cc2nc(C)n(CC(=O)NCCc3ccco3)c(=O)c2cc1OC c1coc(c1)[*:1] COc1cc2nc(C)n(CC(=O)NCC[*:1])c(=O)c2cc1OC
COc1cc2nc(C)n(CC(=O)NCCc3ccco3)c(=O)c2cc1OC c1coc(c1)C[*:1] COc1cc2nc(C)n(CC(=O)NC[*:1])c(=O)c2cc1OC
COc1cc2nc(C)n(CC(=O)NCCc3ccco3)c(=O)c2cc1OC c1coc(c1)CC[*:1] COc1cc2nc(C)n(CC(=O)N[*:1])c(=O)c2cc1OC
COC[C@@H](NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@H](NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
COC[C@@H](NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccccc1 COC[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N[C@@H](c1ccccc1)[*:1]
Cc1cc(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)n([C@H]2CCS(=O)(=O)C2)n1 Clc1ccc(s1)[*:1] Cc1cc(NC(=O)Cc2csc(n2)[*:1])n(n1)[C@H]1CCS(=O)(=O)C1
CC(C)[C@@H]([NH3+])c1ccn(CC(=O)Nc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CC(C)[C@@H]([NH3+])c1ccn(c1)CC(=O)N[*:1]
CC(C)[C@@H]([NH3+])c1ccn(CC(=O)Nc2cccc(Cl)c2)c1 CC(C)[*:1] [NH3+][C@@H](c1ccn(c1)CC(=O)Nc1cccc(Cl)c1)[*:1]
Cc1ccc(-c2noc3ncnc(NCc4cccnc4)c23)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)-c1noc2ncnc(N[*:1])c12
Cc1ccc(-c2noc3ncnc(NCc4cccnc4)c23)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)-c1noc2ncnc(NC[*:1])c12
Cc1ccc(-c2noc3ncnc(NCc4cccnc4)c23)cc1 Cc1ccc(cc1)[*:1] c1cncc(c1)CNc1ncnc2onc(c12)[*:1]
Cc1ccc(-c2noc3ncnc(NCc4cccnc4)c23)cc1 c1cncc(c1)CN[*:1] Cc1ccc(cc1)-c1noc2ncnc(c12)[*:1]
COc1cccc(NC2CCN(C(=O)c3ccon3)CC2)c1 c1cc(no1)[*:1] COc1cccc(c1)NC1CCN(CC1)C(=O)[*:1]
CC1=Nc2ccccc2Oc2c1c(=O)n(-c1ccccc1)c1ccccc21 c1ccc(cc1)[*:1] CC1=Nc2ccccc2Oc2c1c(=O)n(c1ccccc21)[*:1]
Cc1cccc(CC2(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c1 Cc1cccc(c1)C[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)NC1(CC1)[*:1]
Cc1cccc(CC2(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c1 Cc1cccc(c1)[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)NC1(CC1)C[*:1]
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(C2CC2)[nH]n1 O=[N+]([O-])[*:1] O=C(OCc1ccc(cc1)[*:1])c1cc([nH]n1)C1CC1
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(OCc1ccc(cc1)[N+](=O)[O-])c1cc([nH]n1)[*:1]
COc1ccc(C(=O)OCc2cc(=O)n3ccccc3n2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 O=c1cc(nc2ccccn12)[*:1] COc1ccc(cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)C(=O)OC[*:1]
CCOC(=O)C1(C)CCN(C(=O)CCCn2cc[nH+]c2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)CCCn1cc[nH+]c1)[*:1]
COc1ccccc1[C@H](NC(=O)N1CCCC[C@H]1C(C)C)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)N1CCCC[C@H]1C(C)C)[*:1]
COc1ccccc1[C@H](NC(=O)N1CCCC[C@H]1C(C)C)c1ccccn1 CC(C)[*:1] COc1ccccc1[C@H](NC(=O)N1CCCC[C@@H]1[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)N1CCCC[C@H]1C(C)C)c1ccccn1 COc1ccccc1[*:1] CC(C)[C@@H]1CCCCN1C(=O)N[C@H](c1ccccn1)[*:1]
COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)cc(C)c3[nH]c2=O)[NH+]2CCCCCC2)cc1 COc1ccc(cc1)C[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1[*:1])[NH+]1CCCCCC1
COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)cc(C)c3[nH]c2=O)[NH+]2CCCCCC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1C[*:1])[NH+]1CCCCCC1
COc1ccc([C@H](C#N)N2CCN(C(=O)CCOC(C)C)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)OCCC(=O)N1CCN(CC1)[C@@H](C#N)[*:1]
COc1ccc([C@H](C#N)N2CCN(C(=O)CCOC(C)C)CC2)cc1 CC(C)OC[*:1] COc1ccc(cc1)[C@H](C#N)N1CCN(CC1)C(=O)C[*:1]
COc1ccc([C@H](C#N)N2CCN(C(=O)CCOC(C)C)CC2)cc1 CC(C)OCC[*:1] COc1ccc(cc1)[C@H](C#N)N1CCN(CC1)C(=O)[*:1]
COc1ccc([C@H](C#N)N2CCN(C(=O)CCOC(C)C)CC2)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](C#N)N1CCN(CC1)C(=O)CCO[*:1]
COc1ccc([C@H](C#N)N2CCN(C(=O)CCOC(C)C)CC2)cc1 CC(C)O[*:1] COc1ccc(cc1)[C@H](C#N)N1CCN(CC1)C(=O)CC[*:1]
CC(C)(C)NC(=O)Cc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1 CC(C)(C)NC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccnc1N1CCCCC1
CC(C)(C)NC(=O)Cc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1 C1CCN(CC1)[*:1] CC(C)(C)NC(=O)Cc1ccc(cc1)NC(=O)c1cccnc1[*:1]
CC(C)(C)NC(=O)Cc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1 CC(C)(C)NC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cccnc1N1CCCCC1
CC(C)(C)NC(=O)Cc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1 CC(C)(C)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cccnc1N1CCCCC1)N[*:1]
COC[C@@H](C)N(C)[C@@H]1CC[C@]([NH3+])(CO)C1 COC[C@@H](C)[*:1] CN([C@@H]1CC[C@]([NH3+])(CO)C1)[*:1]
COC[C@@H](C)N(C)[C@@H]1CC[C@]([NH3+])(CO)C1 COC[*:1] C[C@@H](N(C)[C@@H]1CC[C@]([NH3+])(CO)C1)[*:1]
CN1CCO[C@@H](CNc2ccc(S(N)(=O)=O)c(N)c2)C1 NS(=O)(=O)[*:1] CN1CCO[C@@H](CNc2ccc(c(N)c2)[*:1])C1
COCCCC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 COCCC[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)[*:1]
COCCCC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] COCCCC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
COCCCC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 COC[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)CC[*:1]
COCCCC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 COCC[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)C[*:1]
CCCCOc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 CCC[*:1] C[C@H](NC(=O)c1ccc(cc1)OC[*:1])c1nc2ccccc2[nH]1
CCCCOc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 CCCC[*:1] C[C@H](NC(=O)c1ccc(cc1)O[*:1])c1nc2ccccc2[nH]1
CCCCOc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 CCCCO[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1nc2ccccc2[nH]1
COC(=O)c1ccccc1N(C)C(=O)c1cc(OC)no1 COc1cc(on1)[*:1] COC(=O)c1ccccc1N(C)C(=O)[*:1]
COC(=O)c1ccccc1N(C)C(=O)c1cc(OC)no1 COC(=O)[*:1] COc1cc(on1)C(=O)N(C)c1ccccc1[*:1]
CCc1ccc(C(=O)N[C@@H]2COc3c(cccc3OC)C2)o1 CCc1ccc(o1)[*:1] COc1cccc2C[C@@H](COc21)NC(=O)[*:1]
COc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc(Cl)c1OC C[C@@H](O)[*:1] COc1cc(cc(Cl)c1OC)C(=O)N1CCN(CC1)C[*:1]
COc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc(Cl)c1OC C[C@@H](O)C[*:1] COc1cc(cc(Cl)c1OC)C(=O)N1CCN(CC1)[*:1]
COCCN(C(C)=O)c1nc(COc2ccccc2Cl)cs1 COCC[*:1] CC(=O)N(c1nc(cs1)COc1ccccc1Cl)[*:1]
COCCN(C(C)=O)c1nc(COc2ccccc2Cl)cs1 Clc1ccccc1[*:1] COCCN(C(C)=O)c1nc(cs1)CO[*:1]
COCCN(C(C)=O)c1nc(COc2ccccc2Cl)cs1 COC[*:1] CC(=O)N(C[*:1])c1nc(cs1)COc1ccccc1Cl
C[C@H]1CN(C(=O)c2cn(C)nc2-c2cccs2)[C@H](C)CO1 c1csc(c1)[*:1] C[C@H]1CN(C(=O)c2cn(C)nc2[*:1])[C@H](C)CO1
COCCCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CS(=O)(=O)C2 COCCC[*:1] Cc1ccccc1-n1nc2CS(=O)(=O)Cc2c1NC(=O)C(=O)N[*:1]
COCCCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CS(=O)(=O)C2 COCC[*:1] Cc1ccccc1-n1nc2CS(=O)(=O)Cc2c1NC(=O)C(=O)NC[*:1]
COCCCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CS(=O)(=O)C2 Cc1ccccc1[*:1] COCCCNC(=O)C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
COCCCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CS(=O)(=O)C2 COC[*:1] Cc1ccccc1-n1nc2CS(=O)(=O)Cc2c1NC(=O)C(=O)NCC[*:1]
COc1ccc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 COc1ccc(cc1[*:1])NC(=O)CN1C[C@H](C)O[C@H](C)C1
COc1ccc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)[*:1])NC(=O)CN1C[C@H](C)O[C@H](C)C1
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([C@H]3N=NC(C)=C3C)o2)cc1 CC(=O)N[*:1] CC1N=N[C@@H](C=1C)c1ccc(o1)S(=O)(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1[C@@H](NC(=O)N(C)C[C@H](C)O)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@@H](NC(=O)N(C)C[C@H](C)O)[*:1]
COc1ccccc1[C@@H](NC(=O)N(C)C[C@H](C)O)c1nccn1C C[C@H](O)C[*:1] COc1ccccc1[C@@H](NC(=O)N(C)[*:1])c1nccn1C
COc1ccccc1[C@@H](NC(=O)N(C)C[C@H](C)O)c1nccn1C C[C@H](O)[*:1] COc1ccccc1[C@@H](NC(=O)N(C)C[*:1])c1nccn1C
COc1ccccc1[C@@H](NC(=O)N(C)C[C@H](C)O)c1nccn1C COc1ccccc1[*:1] C[C@H](O)CN(C)C(=O)N[C@@H](c1nccn1C)[*:1]
CC(C)(C)c1cc(NC(=O)c2cccs2)no1 CC(C)(C)[*:1] O=C(Nc1cc(on1)[*:1])c1cccs1
CC(C)(C)c1cc(NC(=O)c2cccs2)no1 c1csc(c1)[*:1] CC(C)(C)c1cc(no1)NC(=O)[*:1]
CC(C)(C)Oc1cc(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)ccn1 CC(C)(C)O[*:1] NC(=O)N1CCC[C@H](C1)C(=O)NCc1ccnc(c1)[*:1]
CC(C)(C)Oc1cc(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)ccn1 CC(C)(C)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)NCc1ccnc(c1)O[*:1]
COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)cc2F)c1 COCC[*:1] Cc1ccc(cc1C(=O)Nc1ccc(F)cc1F)S(=O)(=O)N[*:1]
COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)cc2F)c1 COC[*:1] Cc1ccc(cc1C(=O)Nc1ccc(F)cc1F)S(=O)(=O)NC[*:1]
COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)cc2F)c1 COCCNS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)Nc1ccc(F)cc1F)[*:1]
COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] COCCNS(=O)(=O)c1ccc(C)c(c1)C(=O)N[*:1]
O=C(C1CC[NH+](Cc2ccco2)CC1)N1Cc2ccccc2C1 c1coc(c1)[*:1] O=C(C1CC[NH+](CC1)C[*:1])N1Cc2ccccc2C1
O=C(C1CC[NH+](Cc2ccco2)CC1)N1Cc2ccccc2C1 c1coc(c1)C[*:1] O=C(C1CC[NH+](CC1)[*:1])N1Cc2ccccc2C1
CCC[NH2+][C@H](c1cc(C)oc1C)C1C(C)(C)C1(C)C CCC[*:1] Cc1cc(c(C)o1)[C@@H]([NH2+][*:1])C1C(C)(C)C1(C)C
O=C(NCCOCC(F)(F)F)[C@H]1COc2ccc(F)cc2C1 FC(F)(F)CO[*:1] O=C(NCC[*:1])[C@H]1COc2ccc(F)cc2C1
O=C(NCCOCC(F)(F)F)[C@H]1COc2ccc(F)cc2C1 FC(F)(F)[*:1] O=C(NCCOC[*:1])[C@H]1COc2ccc(F)cc2C1
O=C(NCCOCC(F)(F)F)[C@H]1COc2ccc(F)cc2C1 FC(F)(F)COC[*:1] O=C(NC[*:1])[C@H]1COc2ccc(F)cc2C1
O=C(NCCOCC(F)(F)F)[C@H]1COc2ccc(F)cc2C1 FC(F)(F)C[*:1] O=C(NCCO[*:1])[C@H]1COc2ccc(F)cc2C1
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(-c4ccccc4)no3)c12 C1CC1[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3cc(no3)-c3ccccc3)c12)[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(-c4ccccc4)no3)c12 c1ccc(cc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3cc(no3)[*:1])c12)C1CC1
CC(=O)c1c(C)[nH]c(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)c(C)c1[*:1]
CC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 CC(=O)[*:1] Cc1cc(C)cc(c1)N(CC(=O)Nc1ccc(cc1)[*:1])S(=O)(=O)c1c(C)nn(C)c1C
CC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 Cc1nn(C)c(C)c1[*:1] CC(=O)c1ccc(cc1)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)[*:1]
CC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 Cc1cc(C)cc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CN(S(=O)(=O)c1c(C)nn(C)c1C)[*:1]
CC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)N(CC(=O)N[*:1])S(=O)(=O)c1c(C)nn(C)c1C
CN(Cc1ccco1)C(=O)CN1C(=O)CSc2ccccc21 c1coc(c1)C[*:1] CN(C(=O)CN1C(=O)CSc2ccccc21)[*:1]
CN(Cc1ccco1)C(=O)CN1C(=O)CSc2ccccc21 c1coc(c1)[*:1] CN(C[*:1])C(=O)CN1C(=O)CSc2ccccc21
CN(c1cccnn1)C1CCN(C(=O)CC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] CN(c1cccnn1)C1CCN(CC1)C(=O)CC[*:1]
CN(c1cccnn1)C1CCN(C(=O)CC[C@H]2CCCO2)CC1 c1cnnc(c1)[*:1] CN(C1CCN(CC1)C(=O)CC[C@H]1CCCO1)[*:1]
CN(c1cccnn1)C1CCN(C(=O)CC[C@H]2CCCO2)CC1 C1CO[C@H](C1)CC[*:1] CN(c1cccnn1)C1CCN(CC1)C(=O)[*:1]
CN(c1cccnn1)C1CCN(C(=O)CC[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] CN(c1cccnn1)C1CCN(CC1)C(=O)C[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)Nc1cnn(C(C)(C)C)c1 CCC[*:1] CC(C)(C)n1cc(cn1)NC(=O)N[C@H]1C[C@H]1[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)Nc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)Nc1cnn(c1)[*:1]
C[C@@H](O)CCC(=O)N[C@@H](c1ccccc1)c1cccs1 C[C@@H](O)CC[*:1] O=C(N[C@@H](c1ccccc1)c1cccs1)[*:1]
C[C@@H](O)CCC(=O)N[C@@H](c1ccccc1)c1cccs1 C[C@@H](O)C[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)c1cccs1
C[C@@H](O)CCC(=O)N[C@@H](c1ccccc1)c1cccs1 C[C@@H](O)[*:1] O=C(CC[*:1])N[C@@H](c1ccccc1)c1cccs1
C[C@@H](O)CCC(=O)N[C@@H](c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] C[C@@H](O)CCC(=O)N[C@@H](c1cccs1)[*:1]
C[C@@H](O)CCC(=O)N[C@@H](c1ccccc1)c1cccs1 c1csc(c1)[*:1] C[C@@H](O)CCC(=O)N[C@@H](c1ccccc1)[*:1]
SCC1(CN2CC[C@H]([NH+]3CCCC3)C2)CC1 SCC1(CC1)[*:1] C1CC[NH+](C1)[C@H]1CCN(C1)C[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(Cl)c1)CC(O)=N2 Clc1cccc(c1)[*:1] Cc1nn(c2N=C(O)C[C@@H](c12)[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1cccc(Cl)c1)CC(O)=N2 O=S1(=O)CC[C@@H](C1)[*:1] Cc1nn(c2N=C(O)C[C@@H](c3cccc(Cl)c3)c12)[*:1]
CCc1onc(C)c1NC(=O)c1cc(C)c2c(=O)[nH]c([O-])nc2n1 CCc1onc(C)c1[*:1] Cc1cc(nc2nc([O-])[nH]c(=O)c12)C(=O)N[*:1]
C#CCN1C(=O)N=C(N)[C@]1(C)Cc1ccccc1OC C#CC[*:1] COc1ccccc1C[C@@]1(C)C(N)=NC(=O)N1[*:1]
CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(C)cc2)cc1 CN(C)C(=O)C[*:1] CCOc1ccc(cc1)S(=O)(=O)N(c1ccc(C)cc1)[*:1]
CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(C)cc2)cc1 CN(C)C(=O)[*:1] CCOc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccc(C)cc1
CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N(C)C)[*:1]
CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(C)cc2)cc1 CCO[*:1] Cc1ccc(cc1)N(CC(=O)N(C)C)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1C[C@H]1[*:1]
CC(=O)c1cccc(NC(=O)CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)c1 CC(=O)[*:1] CC1(C)CO[C@@H](CN1CC(=O)Nc1cccc(c1)[*:1])c1ccccc1Cl
CC(=O)c1cccc(NC(=O)CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)c1 Clc1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=O)CN1C[C@@H](OCC1(C)C)[*:1]
CC(=O)c1cccc(NC(=O)CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)c1 CC(=O)c1cccc(c1)[*:1] CC1(C)CO[C@@H](CN1CC(=O)N[*:1])c1ccccc1Cl
CC(C)Cc1ccc(C[NH2+]CC[C@@H](C)O)cc1 CC(C)[*:1] C[C@@H](O)CC[NH2+]Cc1ccc(cc1)C[*:1]
CC(C)Cc1ccc(C[NH2+]CC[C@@H](C)O)cc1 C[C@@H](O)[*:1] CC(C)Cc1ccc(cc1)C[NH2+]CC[*:1]
CC(C)Cc1ccc(C[NH2+]CC[C@@H](C)O)cc1 CC(C)C[*:1] C[C@@H](O)CC[NH2+]Cc1ccc(cc1)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)Cc1cc(-c2cccs2)on1 c1csc(c1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)Cc1cc(on1)[*:1]
CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)c1 CC[C@H](C)C(=O)N[*:1] C[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1cc(F)c(F)c(F)c1
CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)c1 CC[C@H](C)[*:1] C[C@@H]([NH2+]Cc1cccc(c1)NC(=O)[*:1])c1cc(F)c(F)c(F)c1
Cc1noc(C)c1CCCNC(=O)CN1C(=O)NC(C)(C)C1=O Cc1noc(C)c1[*:1] CC1(C)NC(=O)N(CC(=O)NCCC[*:1])C1=O
Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 Cc1nn(c(C)c1[*:1])C(C)C O=C(Nc1cc(ccc1N1CCOCC1)C(F)(F)F)N[*:1]
Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 C1CN(CCO1)[*:1] Cc1nn(c(C)c1NC(=O)Nc1cc(ccc1[*:1])C(F)(F)F)C(C)C
Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 FC(F)(F)[*:1] Cc1nn(c(C)c1NC(=O)Nc1cc(ccc1N1CCOCC1)[*:1])C(C)C
Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 CC(C)[*:1] Cc1nn(c(C)c1NC(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F)[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] CCC(CC)S(=O)(=O)/N=C(\[O-])[C@@H]1CCC[C@@H](C1)[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 CCC(CC)[*:1] O=S(=O)(/N=C(\[O-])[C@@H]1CCC[C@H](C1)C(F)(F)F)[*:1]
C[C@@H](CC(=O)OCC1CCCC1)NC1=NS(=O)(=O)c2ccccc21 C1CCC(C1)[*:1] C[C@@H](CC(=O)OC[*:1])NC1=NS(=O)(=O)c2ccccc21
C[C@@H](CC(=O)OCC1CCCC1)NC1=NS(=O)(=O)c2ccccc21 C1CCC(C1)C[*:1] C[C@@H](CC(=O)O[*:1])NC1=NS(=O)(=O)c2ccccc21
C[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)c1coc(c1)S(N)(=O)=O)[*:1]
C[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1ccc(Cl)s1 NS(=O)(=O)[*:1] C[C@H](NC(=O)c1coc(c1)[*:1])c1ccc(Cl)s1
CC[C@H](CS)COc1c(Br)cc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H](CS)COc1c(Br)cc(F)cc1[*:1]
CC[C@H](CS)COc1c(Br)cc(F)cc1[N+](=O)[O-] CC[C@H](CS)[*:1] O=[N+]([O-])c1cc(F)cc(Br)c1OC[*:1]
CC[C@H](CS)COc1c(Br)cc(F)cc1[N+](=O)[O-] CC[C@H](CS)C[*:1] O=[N+]([O-])c1cc(F)cc(Br)c1O[*:1]
CC(C)Oc1ccc(CC(=O)N2CCN(c3cccc4cnccc34)CC2)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)O[*:1])N1CCN(CC1)c1cccc2cnccc12
CC(C)Oc1ccc(CC(=O)N2CCN(c3cccc4cnccc34)CC2)cc1 CC(C)O[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCN(CC1)c1cccc2cnccc12
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 CC[C@@H](C)NC(=O)[*:1] C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 CC[C@@H](C)[*:1] C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1C[C@H]1[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1)[*:1]
CN(C)c1nc(CSCc2cc(=O)n3ccsc3n2)ns1 CN(C)[*:1] O=c1cc(CSCc2nsc(n2)[*:1])nc2sccn12
CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 CC(C)(C)[*:1] O=C(COc1ccc2ccccc2c1)Nc1ccccc1C(=O)N[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 CC(C)(C)NC(=O)[*:1] O=C(COc1ccc2ccccc2c1)Nc1ccccc1[*:1]
O=C(NC[C@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NC[C@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
O=C(NC[C@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCC1 Clc1ccc(cc1)[*:1] O=C(NC[C@H]1OCCCN1S(=O)(=O)[*:1])C(=O)NC1CCCCC1
Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 c1ccc(cc1)C[*:1] Cc1oc2ccc(cc2c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21)O[*:1]
Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 c1ccc(cc1)CO[*:1] Cc1oc2ccc(cc2c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21)[*:1]
Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 c1ccc(cc1)[*:1] Cc1oc2ccc(cc2c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21)OC[*:1]
CC(C)(C)CC(C)(C)NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F FC(F)(F)[*:1] CC(C)(C)CC(C)(C)NC(=O)c1cnn2c1N[C@@H](C[C@H]2[*:1])c1ccco1
CC(C)(C)CC(C)(C)NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F CC(C)(C)CC(C)(C)[*:1] O=C(N[*:1])c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)c1ccco1
CC(C)(C)CC(C)(C)NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F CC(C)(C)C[*:1] CC(C)(NC(=O)c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)c1ccco1)[*:1]
CC(C)(C)CC(C)(C)NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F c1coc(c1)[*:1] CC(C)(C)CC(C)(C)NC(=O)c1cnn2c1N[C@H](C[C@@H]2C(F)(F)F)[*:1]
CC(C)(C)CC(C)(C)NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F CC(C)(C)[*:1] CC(C)(C[*:1])NC(=O)c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)c1ccco1
Cc1ccc(NCc2ccc(OCC[NH+](C)C)cc2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)CCOc1ccc(cc1)CN[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)c1nc(no1)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 CCC[*:1] C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)[*:1])c1nc(no1)-c1ccccc1
NC(=O)C1(CNC(=O)c2cc(=O)[nH]c3ccccc23)CCOCC1 NC(=O)[*:1] O=C(NCC1(CCOCC1)[*:1])c1cc(=O)[nH]c2ccccc12
C[C@@H](C(=O)Nc1ccc2c(c1)COC2)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](C(=O)Nc1ccc2COCc2c1)[*:1]
CC(C)[NH2+][C@@]1(CO)CC[C@H](Sc2ccc(Cl)cc2)C1 CC(C)[*:1] OC[C@@]1(CC[C@@H](C1)Sc1ccc(Cl)cc1)[NH2+][*:1]
CC[C@H](NC(=O)NCc1nnc2n1CCCCC2)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@H](NC(=O)NCc1nnc2CCCCCn21)[*:1]
CCC[NH2+][C@H](C)[C@H](CC)Cc1nc(C)c(C)s1 CCC[*:1] CC[C@H](Cc1nc(C)c(C)s1)[C@@H](C)[NH2+][*:1]
CCC[C@@]1(C)CC(=O)NC(=O)[C@H]1c1ccccc1 CCC[*:1] C[C@]1(CC(=O)NC(=O)[C@H]1c1ccccc1)[*:1]
CCC[C@@]1(C)CC(=O)NC(=O)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@]1(C)CC(=O)NC(=O)[C@@H]1[*:1]
CC(C)CC(C)(C)CNC(=O)N1CCCN(C(=O)c2ccccc2)CC1 CC(C)CC(C)(C)C[*:1] O=C(N[*:1])N1CCCN(CC1)C(=O)c1ccccc1
CC(C)CC(C)(C)CNC(=O)N1CCCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)CC(C)(C)CNC(=O)N1CCCN(CC1)C(=O)[*:1]
CC(C)CC(C)(C)CNC(=O)N1CCCN(C(=O)c2ccccc2)CC1 CC(C)C[*:1] CC(C)(CNC(=O)N1CCCN(CC1)C(=O)c1ccccc1)[*:1]
CC(C)CC(C)(C)CNC(=O)N1CCCN(C(=O)c2ccccc2)CC1 CC(C)[*:1] CC(C)(CNC(=O)N1CCCN(CC1)C(=O)c1ccccc1)C[*:1]
CC(C)CC(C)(C)CNC(=O)N1CCCN(C(=O)c2ccccc2)CC1 CC(C)CC(C)(C)[*:1] O=C(NC[*:1])N1CCCN(CC1)C(=O)c1ccccc1
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc3C2)cc1 CC(=O)N[*:1] CN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(cc1)[*:1]
CC[C@H]1CCC[C@]2(CC1)C[NH+]=C(N)N2c1ccccc1Cl Clc1ccccc1[*:1] CC[C@H]1CCC[C@]2(CC1)C[NH+]=C(N)N2[*:1]
CNS(=O)(=O)c1cc(NC(=O)Nc2cnn(C)c2)ccc1C CNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)Nc1cnn(C)c1
CNS(=O)(=O)c1cc(NC(=O)Nc2cnn(C)c2)ccc1C Cn1cc(cn1)[*:1] CNS(=O)(=O)c1cc(ccc1C)NC(=O)N[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)C1 CC(=O)N[*:1] O=C1CCCc2ccc(cc21)NC(=O)N1CCC[C@H](C1)[*:1]
CCCN(CC(F)F)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCCN(CC(F)F)C(=O)N[C@@H]1CCN(C1=O)[*:1]
CCCN(CC(F)F)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O CCC[*:1] O=C1[C@@H](CCN1c1ccccc1)NC(=O)N(CC(F)F)[*:1]
CCCN(CC(F)F)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O FC(F)[*:1] CCCN(C[*:1])C(=O)N[C@@H]1CCN(C1=O)c1ccccc1
CCCN(CC(F)F)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O FC(F)C[*:1] CCCN(C(=O)N[C@@H]1CCN(C1=O)c1ccccc1)[*:1]
CS[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(Cn2nc(C)nc2C)c1 Cc1nc(C)n(C[*:1])n1 CS[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(c1)[*:1]
CS[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(Cn2nc(C)nc2C)c1 Cc1nc(C)n(n1)[*:1] CS[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(c1)C[*:1]
CN(C)c1nc(Nc2ccc(F)cc2)c2nccnc2n1 Fc1ccc(cc1)[*:1] CN(C)c1nc(N[*:1])c2nccnc2n1
CN(C)c1nc(Nc2ccc(F)cc2)c2nccnc2n1 CN(C)[*:1] Fc1ccc(cc1)Nc1nc(nc2nccnc12)[*:1]
Cc1cccc(CSC2=NCCN2C(=O)[C@H](C)Oc2ccccc2)c1 c1ccc(cc1)O[*:1] Cc1cccc(c1)CSC1=NCCN1C(=O)[C@H](C)[*:1]
Cc1cccc(CSC2=NCCN2C(=O)[C@H](C)Oc2ccccc2)c1 Cc1cccc(c1)C[*:1] C[C@H](Oc1ccccc1)C(=O)N1CCN=C1S[*:1]
Cc1cccc(CSC2=NCCN2C(=O)[C@H](C)Oc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CSC1=NCCN1C(=O)[C@H](C)O[*:1]
Cc1cccc(CSC2=NCCN2C(=O)[C@H](C)Oc2ccccc2)c1 Cc1cccc(c1)[*:1] C[C@H](Oc1ccccc1)C(=O)N1CCN=C1SC[*:1]
CCOCCN(C)C(=O)[C@@H](C)Sc1nc2ccccc2s1 CCOC[*:1] C[C@@H](Sc1nc2ccccc2s1)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)[C@@H](C)Sc1nc2ccccc2s1 CCO[*:1] C[C@@H](Sc1nc2ccccc2s1)C(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)[C@@H](C)Sc1nc2ccccc2s1 CCOCC[*:1] C[C@@H](Sc1nc2ccccc2s1)C(=O)N(C)[*:1]
Cc1ccsc1[C@@](C)(O)C[NH2+]C1CC1 C1CC1[*:1] Cc1ccsc1[C@@](C)(O)C[NH2+][*:1]
c1ccc(COc2cccc(CNc3ncccn3)c2)nc1 c1ccc(C[*:1])nc1 c1cnc(nc1)NCc1cccc(c1)O[*:1]
c1ccc(COc2cccc(CNc3ncccn3)c2)nc1 c1cnc(nc1)N[*:1] c1ccc(COc2cccc(c2)C[*:1])nc1
c1ccc(COc2cccc(CNc3ncccn3)c2)nc1 c1ccc(nc1)[*:1] c1cnc(nc1)NCc1cccc(c1)OC[*:1]
c1ccc(COc2cccc(CNc3ncccn3)c2)nc1 c1cnc(nc1)[*:1] c1ccc(COc2cccc(c2)CN[*:1])nc1
C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](NC(=O)COc1cccc(c1)[N+](=O)[O-])c1cccc(c1)[*:1]
C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@@H](NC(=O)CO[*:1])c1cccc(c1)N1CCCC1
C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccc(N2CCCC2)c1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)COc1cccc(c1)[*:1])c1cccc(c1)N1CCCC1
Cc1ncsc1CNC(=O)N(C)CCN(C)C(=O)OC(C)(C)C Cc1ncsc1[*:1] CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NC[*:1]
Cc1ncsc1CNC(=O)N(C)CCN(C)C(=O)OC(C)(C)C Cc1ncsc1C[*:1] CN(CCN(C)C(=O)OC(C)(C)C)C(=O)N[*:1]
Cc1ncsc1CNC(=O)N(C)CCN(C)C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ncsc1CNC(=O)N(C)CCN(C)C(=O)O[*:1]
Cn1c(COc2ccccc2Cl)nn(C[NH+]2CCc3ccccc3C2)c1=S Clc1ccccc1[*:1] Cn1c(CO[*:1])nn(C[NH+]2CCc3ccccc3C2)c1=S
Cn1c(COc2ccccc2Cl)nn(C[NH+]2CCc3ccccc3C2)c1=S Clc1ccccc1OC[*:1] Cn1c(nn(C[NH+]2CCc3ccccc3C2)c1=S)[*:1]
Cn1c(COc2ccccc2Cl)nn(C[NH+]2CCc3ccccc3C2)c1=S Clc1ccccc1O[*:1] Cn1c(C[*:1])nn(C[NH+]2CCc3ccccc3C2)c1=S
CO[C@@H](CNC(=O)NNC(=O)c1oc2ccccc2c1C)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)NNC(=O)c1oc2ccccc2c1C)[*:1]
CO[C@@H](CNC(=O)NNC(=O)c1oc2ccccc2c1C)c1ccccc1 CO[C@@H](c1ccccc1)[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)NC[*:1]
COC(=O)c1nn(C)c(C)c1NC(=O)c1cc(OC)n(C)n1 COC(=O)[*:1] COc1cc(nn1C)C(=O)Nc1c(nn(C)c1C)[*:1]
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1Cl)/N=C/c1cc(ccc1[O-])[*:1]
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(Cl)c(c2)[*:1])c1
Cc1cc(C)c2nc(NC(=O)CNC(=O)Cc3cccc(F)c3)sc2c1 Fc1cccc(c1)[*:1] Cc1cc(C)c2nc(NC(=O)CNC(=O)C[*:1])sc2c1
Cc1cc(C)c2nc(NC(=O)CNC(=O)Cc3cccc(F)c3)sc2c1 Fc1cccc(c1)C[*:1] Cc1cc(C)c2nc(NC(=O)CNC(=O)[*:1])sc2c1
O=C(NC[C@](O)(c1cccs1)C1CC1)C(c1ccccc1)c1ccccc1 C1CC1[*:1] O=C(NC[C@](O)(c1cccs1)[*:1])C(c1ccccc1)c1ccccc1
O=C(NC[C@](O)(c1cccs1)C1CC1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@](O)(c1cccs1)C1CC1)C(c1ccccc1)[*:1]
O=C(NC[C@](O)(c1cccs1)C1CC1)C(c1ccccc1)c1ccccc1 c1csc(c1)[*:1] O=C(NC[C@](O)(C1CC1)[*:1])C(c1ccccc1)c1ccccc1
COC1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] COC1CCN(CC1)C(=O)c1c[nH]nc1[*:1]
CCSCc1ccc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)cc1 CCS[*:1] Cc1nc(no1)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C[*:1]
CCSCc1ccc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)cc1 Cc1nc(no1)[*:1] CCSCc1ccc(cc1)C(=O)N1CCC[C@@H](C1)[*:1]
CCSCc1ccc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)cc1 CCSC[*:1] Cc1nc(no1)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
Cc1cc2nnc(SCCC(=O)Nc3ccccc3F)n2c(C)n1 Fc1ccccc1[*:1] Cc1cc2nnc(SCCC(=O)N[*:1])n2c(C)n1
Nc1c(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(=O)[nH]c(=O)n1C1CC1 C1CC1[*:1] Nc1c(C(=O)CSc2nnc(-c3cccnc3)n2[*:1])c(=O)[nH]c(=O)n1C1CC1
Nc1c(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(=O)[nH]c(=O)n1C1CC1 C1CC1[*:1] Nc1c(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(=O)[nH]c(=O)n1[*:1]
Nc1c(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(=O)[nH]c(=O)n1C1CC1 c1cncc(c1)[*:1] Nc1c(C(=O)CSc2nnc(n2C2CC2)[*:1])c(=O)[nH]c(=O)n1C1CC1
CCn1c(=O)c(N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c(C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] CCn1c(=O)c(c(C)n(c1=O)[*:1])N1CCC(CC1)C(=O)Nc1cccc(Cl)c1
CCn1c(=O)c(N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c(C)n(-c2ccccc2)c1=O Clc1cccc(c1)[*:1] CCn1c(=O)c(c(C)n(-c2ccccc2)c1=O)N1CCC(CC1)C(=O)N[*:1]
CCn1c(=O)c(N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c(C)n(-c2ccccc2)c1=O O=C(Nc1cccc(Cl)c1)[*:1] CCn1c(=O)c(c(C)n(-c2ccccc2)c1=O)N1CCC(CC1)[*:1]
COc1c(CNc2ccccc2SC2CCCC2)c(C)nn1C C1CCC(C1)[*:1] COc1c(CNc2ccccc2S[*:1])c(C)nn1C
COc1c(CNc2ccccc2SC2CCCC2)c(C)nn1C C1CCC(C1)S[*:1] COc1c(CNc2ccccc2[*:1])c(C)nn1C
CCc1ncc(C[NH2+]Cc2csc(-c3ccccc3)n2)s1 c1ccc(cc1)[*:1] CCc1ncc(C[NH2+]Cc2csc(n2)[*:1])s1
CCc1ncc(C[NH2+]Cc2csc(-c3ccccc3)n2)s1 CCc1ncc(s1)[*:1] c1ccc(cc1)-c1nc(cs1)C[NH2+]C[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)cc1 CCCS(=O)(=O)[*:1] C[C@@H](C(=O)NCC(=O)Nc1ccc(F)cc1)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)cc1 CCC[*:1] C[C@@H](C(=O)NCC(=O)Nc1ccc(F)cc1)S(=O)(=O)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCS(=O)(=O)[C@@H](C)C(=O)NCC(=O)N[*:1]
CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(c2ccnn2C)CC1 Cn1nccc1[*:1] CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CC1)[*:1]
CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(c2ccnn2C)CC1 c1ccc(cc1)C[*:1] CN(CC(C)(C)C[NH+]1CCC(CC1)c1ccnn1C)[*:1]
CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(c2ccnn2C)CC1 c1ccc(cc1)[*:1] CN(CC(C)(C)C[NH+]1CCC(CC1)c1ccnn1C)C[*:1]
CCC1(CNC(=O)C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CCC1 CCC1(CCC1)C[*:1] Cc1csc(n1)-c1ccc(cc1)NC(=O)C(=O)N[*:1]
CCC1(CNC(=O)C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CCC1 CCC1(CCC1)[*:1] Cc1csc(n1)-c1ccc(cc1)NC(=O)C(=O)NC[*:1]
CCC1(CNC(=O)C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CCC1 Cc1csc(n1)[*:1] CCC1(CCC1)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC#N N#CC[*:1] CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)[*:1]
CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC#N CN(CC#N)C(=O)[*:1] CC[C@@H](Nc1nnnn1-c1ccccc1)[*:1]
CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC#N c1ccc(cc1)[*:1] CC[C@@H](Nc1nnnn1[*:1])C(=O)N(C)CC#N
Cc1ccc(CN(C)C(=O)Nc2cccc(N3CCOC3=O)c2)s1 Cc1ccc(C[*:1])s1 CN(C(=O)Nc1cccc(c1)N1CCOC1=O)[*:1]
Cc1ccc(CN(C)C(=O)Nc2cccc(N3CCOC3=O)c2)s1 O=C1OCCN1[*:1] Cc1ccc(CN(C)C(=O)Nc2cccc(c2)[*:1])s1
Cc1ccc(CN(C)C(=O)Nc2cccc(N3CCOC3=O)c2)s1 Cc1ccc(s1)[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)N1CCOC1=O
Cc1cc(NCCc2nc(C)cs2)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] Cc1cc(nc(n1)[*:1])NCCc1nc(C)cs1
Cc1cc(NCCc2nc(C)cs2)nc(-c2cccnc2)n1 Cc1csc(C[*:1])n1 Cc1cc(nc(n1)-c1cccnc1)NC[*:1]
Cc1cc(NCCc2nc(C)cs2)nc(-c2cccnc2)n1 Cc1csc(n1)[*:1] Cc1cc(nc(n1)-c1cccnc1)NCC[*:1]
COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Br)cc2C)C(C)C)cc1 Cc1cc(Br)ccc1[*:1] COc1ccc(cc1)C(=O)N[C@H](C(=O)N[*:1])C(C)C
COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Br)cc2C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)N[C@H](C(=O)Nc1ccc(Br)cc1C)[*:1]
COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Br)cc2C)C(C)C)cc1 COc1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)[C@@H](NC(=O)[*:1])C(C)C
Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCc2c(O)cccc21 c1ccc(cc1)[*:1] Cc1oc(nc1CC(=O)N[C@H]1CCc2c(O)cccc21)[*:1]
CCC[C@H](C)[C@H](O)[C@@H]1CCOC2(CCOCC2)C1 CCC[C@H](C)[*:1] O[C@H]([C@@H]1CCOC2(CCOCC2)C1)[*:1]
CCC[C@H](C)[C@H](O)[C@@H]1CCOC2(CCOCC2)C1 CCC[*:1] C[C@H]([C@H](O)[C@@H]1CCOC2(CCOCC2)C1)[*:1]
CCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)cs1 CCc1nc(cs1)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N[C@H](C)[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H]1CCN(C(=O)Cc2ccon2)[C@H](C)C1 c1cc(no1)[*:1] C[C@@H]1CCN(C(=O)C[*:1])[C@H](C)C1
O=C(CSc1ccncc1)Nc1ccc2ccccc2c1 c1cc(ccn1)[*:1] O=C(CS[*:1])Nc1ccc2ccccc2c1
O=C(CSc1ccncc1)Nc1ccc2ccccc2c1 c1cc(ccn1)S[*:1] O=C(C[*:1])Nc1ccc2ccccc2c1
COc1ccc(-c2cccc3ccccc23)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(c(c1)[*:1])-c1cccc2ccccc12
CSc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1 O=[N+]([O-])[*:1] CSc1ccc(cn1)NC(=O)/C=C/c1ccc(cc1)[*:1]
Cc1nc([C@@H](NC(=O)Nc2cnc3[nH]nc(C)c3c2)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)Nc1cnc2[nH]nc(C)c2c1)[*:1]
Cc1nc([C@@H](NC(=O)Nc2cnc3[nH]nc(C)c3c2)c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@@H](c1ccccc1)[*:1]
COC(C)(C)c1noc(-c2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1 CC(C)[*:1] COC(C)(C)c1noc(n1)-c1ccc(cc1)S(=O)(=O)N(C)[*:1]
COC(C)(C)c1noc(-c2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1 COC(C)(C)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)-c1nc(no1)[*:1]
COC(C)(C)c1noc(-c2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1 CC(C)N(C)S(=O)(=O)[*:1] COC(C)(C)c1noc(n1)-c1ccc(cc1)[*:1]
C[C@@H](CO)C[NH2+]CC(C)(C)C(=O)[O-] C[C@@H](CO)[*:1] CC(C)(C[NH2+]C[*:1])C(=O)[O-]
C[C@@H](CO)C[NH2+]CC(C)(C)C(=O)[O-] O=C([O-])[*:1] C[C@@H](CO)C[NH2+]CC(C)(C)[*:1]
CCCNC(=O)CNC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 CCCNC(=O)[*:1] O=C(NC[*:1])N[C@@H](c1ccc(F)cc1)c1cccs1
CCCNC(=O)CNC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] CCCNC(=O)CNC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CCCNC(=O)CNC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] CCCNC(=O)CNC(=O)N[C@@H](c1cccs1)[*:1]
CCCNC(=O)CNC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 CCC[*:1] O=C(CNC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)N[*:1]
CCCNC(=O)CNC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 CCCNC(=O)C[*:1] O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)N[*:1]
CCCOCC(=O)c1ccc(Cl)c(OC)c1 CCCOC[*:1] COc1cc(ccc1Cl)C(=O)[*:1]
CCCOCC(=O)c1ccc(Cl)c(OC)c1 CCCO[*:1] COc1cc(ccc1Cl)C(=O)C[*:1]
CCCOCC(=O)c1ccc(Cl)c(OC)c1 CCC[*:1] COc1cc(ccc1Cl)C(=O)CO[*:1]
C[C@H](Cc1ccccc1F)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 Fc1ccccc1[*:1] C[C@H](C[*:1])C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
CCNC(=O)CN(CC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 CCNC(=O)[*:1] CCN(C[*:1])C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
CCNC(=O)CN(CC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 CCNC(=O)C[*:1] CCN(C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[*:1]
CCNC(=O)CN(CC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCNC(=O)CN(CC)C(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
O=c1[nH]c(CNc2cccc(Cl)c2)nc2scc(-c3ccccc3)c12 Clc1cccc(c1)N[*:1] O=c1[nH]c(C[*:1])nc2scc(-c3ccccc3)c12
O=c1[nH]c(CNc2cccc(Cl)c2)nc2scc(-c3ccccc3)c12 c1ccc(cc1)[*:1] O=c1[nH]c(CNc2cccc(Cl)c2)nc2scc(c12)[*:1]
O=c1[nH]c(CNc2cccc(Cl)c2)nc2scc(-c3ccccc3)c12 Clc1cccc(c1)[*:1] O=c1[nH]c(CN[*:1])nc2scc(-c3ccccc3)c12
COCCC1(C[NH2+][C@H](C)c2cc(F)ccc2F)CC1 COCC[*:1] C[C@@H]([NH2+]CC1(CC1)[*:1])c1cc(F)ccc1F
COCCC1(C[NH2+][C@H](C)c2cc(F)ccc2F)CC1 COC[*:1] C[C@@H]([NH2+]CC1(CC1)C[*:1])c1cc(F)ccc1F
O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)C1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)C1(CCCC1)[*:1]
CCn1c(S[C@H]2CCOC2=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 O=S(=O)(N1CCCCC1)[*:1] CCn1c(nc2cc(ccc21)[*:1])S[C@H]1CCOC1=O
C[C@H](C(=O)Nc1ccccc1F)[NH+]1CCN(c2nccs2)CC1 Fc1ccccc1[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)c1nccs1
C[C@H](C(=O)Nc1ccccc1F)[NH+]1CCN(c2nccs2)CC1 c1csc(n1)[*:1] C[C@H](C(=O)Nc1ccccc1F)[NH+]1CCN(CC1)[*:1]
CCn1cc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 COc1ccccc1[*:1] CCn1cc(C[NH+]2CCC(O)(CC2)[*:1])c2ccccc21
O=C(CSc1ccccc1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 c1ccc(cc1)SC[*:1] O=C(N1CCOC[C@](O)(C1)C[NH+]1CCCC1)[*:1]
O=C(CSc1ccccc1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 c1ccc(cc1)[*:1] O=C(CS[*:1])N1CCOC[C@](O)(C1)C[NH+]1CCCC1
O=C(CSc1ccccc1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 c1ccc(cc1)S[*:1] O=C(C[*:1])N1CCOC[C@](O)(C1)C[NH+]1CCCC1
CCCN1CCN(C(=O)CCC(=O)N2C[C@@H](C)Oc3ccccc32)CC1 CCC[*:1] C[C@@H]1CN(C(=O)CCC(=O)N2CCN(CC2)[*:1])c2ccccc2O1
O=S(=O)(N1CCCC1)N1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21 c1ccc(cc1)[*:1] O=S(=O)(N1CCCC1)N1CC[C@H]([C@H]2[NH2+]CCCC[C@H]21)[*:1]
Cc1nc(CN(CCc2ccccc2)C2CC[NH+](C)CC2)no1 Cc1nc(C[*:1])no1 C[NH+]1CCC(CC1)N(CCc1ccccc1)[*:1]
Cc1nc(CN(CCc2ccccc2)C2CC[NH+](C)CC2)no1 c1ccc(cc1)C[*:1] Cc1nc(CN(C[*:1])C2CC[NH+](C)CC2)no1
Cc1nc(CN(CCc2ccccc2)C2CC[NH+](C)CC2)no1 c1ccc(cc1)[*:1] Cc1nc(CN(CC[*:1])C2CC[NH+](C)CC2)no1
Cc1nc(CN(CCc2ccccc2)C2CC[NH+](C)CC2)no1 Cc1nc(no1)[*:1] C[NH+]1CCC(CC1)N(CCc1ccccc1)C[*:1]
C=C(C)[C@@H]([NH3+])[C@@H]1COc2ccccc2O1 C=C(C)[*:1] [NH3+][C@@H]([C@@H]1COc2ccccc2O1)[*:1]
O=C(N/N=C/C=C/c1ccco1)c1ccc(Cl)cc1 c1coc(c1)[*:1] O=C(N/N=C/C=C[*:1])c1ccc(Cl)cc1
CC[C@H](CSC)N(C)c1cc[nH+]cc1Cl CSC[*:1] CC[C@H](N(C)c1cc[nH+]cc1Cl)[*:1]
C[C@@H](OCC1CC1)C(=O)Nc1cc(C#N)ccc1Cl C1CC1CO[*:1] C[C@@H](C(=O)Nc1cc(C#N)ccc1Cl)[*:1]
C[C@@H](OCC1CC1)C(=O)Nc1cc(C#N)ccc1Cl C1CC1C[*:1] C[C@@H](O[*:1])C(=O)Nc1cc(C#N)ccc1Cl
C[C@@H](OCC1CC1)C(=O)Nc1cc(C#N)ccc1Cl C1CC1[*:1] C[C@@H](OC[*:1])C(=O)Nc1cc(C#N)ccc1Cl
N[C@@H](c1ccccc1CCC1OCCCO1)C(F)(F)F C1COC(OC1)[*:1] N[C@@H](c1ccccc1CC[*:1])C(F)(F)F
N[C@@H](c1ccccc1CCC1OCCCO1)C(F)(F)F FC(F)(F)[*:1] N[C@@H](c1ccccc1CCC1OCCCO1)[*:1]
N[C@@H](c1ccccc1CCC1OCCCO1)C(F)(F)F N[C@@H](C(F)(F)F)[*:1] c1ccc(c(c1)CCC1OCCCO1)[*:1]
Cn1c(=O)c(N2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)nc2ccccc21 Clc1cccc(c1)[*:1] Cn1c(=O)c(nc2ccccc21)N1CCC(CC1)NC(=O)N[*:1]
O=C(NCc1cccnc1OC1CCCC1)c1ccc2c(c1)COCO2 C1CCC(C1)O[*:1] O=C(NCc1cccnc1[*:1])c1ccc2OCOCc2c1
O=C(NCc1cccnc1OC1CCCC1)c1ccc2c(c1)COCO2 C1CCC(C1)[*:1] O=C(NCc1cccnc1O[*:1])c1ccc2OCOCc2c1
N#C[C@@]12C(N)=NC3(OCCO3)[C@]1(C#N)[C@@H]2c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@]12C(N)=NC3(OCCO3)[C@]1(C#N)[C@H]2[*:1]
C[C@@H](O)C1CCN(C(=O)c2ccc(C(=O)OC(C)(C)C)cc2)CC1 CC(C)(C)[*:1] C[C@@H](O)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)O[*:1]
C[C@@H](O)C1CCN(C(=O)c2ccc(C(=O)OC(C)(C)C)cc2)CC1 CC(C)(C)OC(=O)[*:1] C[C@@H](O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
C[C@@H](O)C1CCN(C(=O)c2ccc(C(=O)OC(C)(C)C)cc2)CC1 C[C@@H](O)[*:1] CC(C)(C)OC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
Cc1ccccc1-c1nc2cnccn2c1NCCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1ccccc1-c1nc2cnccn2c1NCCC(=O)N[*:1]
Cc1ccccc1-c1nc2cnccn2c1NCCC(=O)NC1CCCCC1 Cc1ccccc1[*:1] O=C(CCNc1c(nc2cnccn12)[*:1])NC1CCCCC1
Cc1ccccc1-c1nc2cnccn2c1NCCC(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] Cc1ccccc1-c1nc2cnccn2c1NCC[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ncccc3C)ccc21 Cc1cccnc1[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)NC[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ncccc3C)ccc21 Cc1cccnc1C[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)N[*:1]
O=C1/C(=c2\sc3nc(-c4cccnc4)nn3c2=O)c2ccccc2N1Cc1ccccc1Cl Clc1ccccc1C[*:1] O=C1/C(c2ccccc2N1[*:1])=c1\sc2nc(nn2c1=O)-c1cccnc1
O=C1/C(=c2\sc3nc(-c4cccnc4)nn3c2=O)c2ccccc2N1Cc1ccccc1Cl c1cncc(c1)[*:1] O=C1/C(c2ccccc2N1Cc1ccccc1Cl)=c1\sc2nc(nn2c1=O)[*:1]
O=C1/C(=c2\sc3nc(-c4cccnc4)nn3c2=O)c2ccccc2N1Cc1ccccc1Cl Clc1ccccc1[*:1] O=C1/C(c2ccccc2N1C[*:1])=c1\sc2nc(nn2c1=O)-c1cccnc1
CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H](C(=O)[O-])O2)C1 CC(C)(C)[*:1] O=C([O-])[C@@H]1CCC[C@@]2(CCN(C2)C(=O)O[*:1])O1
CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H](C(=O)[O-])O2)C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H](O2)[*:1])C1
CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)N[C@@H]1CCCc2ccccc21 CC(=O)[*:1] CC(=O)Nc1ccc(cc1OCC(=O)N[C@@H]1CCCc2ccccc21)[*:1]
CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)N[C@@H]1CCCc2ccccc21 CC(=O)N[*:1] CC(=O)c1ccc(c(c1)OCC(=O)N[C@@H]1CCCc2ccccc21)[*:1]
Cc1ccccc1[C@H]1C[C@H]1C(=O)NNc1ccc(-c2ccccc2)nn1 c1ccc(cc1)[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)NNc1ccc(nn1)[*:1]
Cc1ccccc1[C@H]1C[C@H]1C(=O)NNc1ccc(-c2ccccc2)nn1 Cc1ccccc1[*:1] O=C(NNc1ccc(nn1)-c1ccccc1)[C@@H]1C[C@@H]1[*:1]
C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(N)=O C[C@@H](S[*:1])C(N)=O FC(F)(F)c1cc(nc(n1)[*:1])-c1ccccc1
C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(N)=O FC(F)(F)[*:1] C[C@@H](Sc1nc(cc(n1)[*:1])-c1ccccc1)C(N)=O
C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(N)=O NC(=O)[*:1] C[C@@H](Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)[*:1]
C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(N)=O C[C@@H](C(N)=O)[*:1] FC(F)(F)c1cc(nc(n1)S[*:1])-c1ccccc1
C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(N)=O c1ccc(cc1)[*:1] C[C@@H](Sc1nc(cc(n1)[*:1])C(F)(F)F)C(N)=O
CCc1nc(CNC(=O)NCC2(Sc3ccccc3)CC2)cs1 CCc1nc(cs1)[*:1] O=C(NCC1(CC1)Sc1ccccc1)NC[*:1]
CCc1nc(CNC(=O)NCC2(Sc3ccccc3)CC2)cs1 c1ccc(cc1)S[*:1] CCc1nc(cs1)CNC(=O)NCC1(CC1)[*:1]
CCc1nc(CNC(=O)NCC2(Sc3ccccc3)CC2)cs1 c1ccc(cc1)[*:1] CCc1nc(cs1)CNC(=O)NCC1(CC1)S[*:1]
COc1ncccc1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C CC(C)C[*:1] COc1ncccc1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[*:1]
COc1ncccc1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C COc1ncccc1[*:1] CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[*:1]
COc1ncccc1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C CC(C)[*:1] COc1ncccc1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[*:1]
COc1ncccc1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C COc1ncccc1C[*:1] CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[*:1]
CC[C@H](CO)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)CC1 CC[C@H](CO)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N1CCN(CC1)[*:1]
Cc1cccc(NC(=O)c2csc3c2CC[C@@H](C)C3)c1C(N)=O NC(=O)[*:1] Cc1cccc(NC(=O)c2csc3C[C@H](C)CCc23)c1[*:1]
C[C@H](O)[C@H](C)Sc1ncc(C(F)(F)F)cc1Cl C[C@H](O)[*:1] C[C@H](Sc1ncc(cc1Cl)C(F)(F)F)[*:1]
C[C@H](O)[C@H](C)Sc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] C[C@H](O)[C@H](C)Sc1ncc(cc1Cl)[*:1]
COc1ccc(CN(Cc2ccccc2)C(=O)[C@@H](C)SC)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CN(C[*:1])C(=O)[C@@H](C)SC
COc1ccc(CN(Cc2ccccc2)C(=O)[C@@H](C)SC)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)CN(C(=O)[C@@H](C)SC)[*:1]
CCOc1ccc(CNc2ccccc2C(C)C)cc1 CCO[*:1] CC(C)c1ccccc1NCc1ccc(cc1)[*:1]
CCOc1ccc(CNc2ccccc2C(C)C)cc1 CC(C)[*:1] CCOc1ccc(cc1)CNc1ccccc1[*:1]
Cc1ccc(OCC#CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)OCC#CC[*:1]
CCn1c(=O)c(C)nc2cc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)ccc21 c1coc(c1)[*:1] CCn1c(=O)c(C)nc2cc(ccc21)C(=O)NC[C@H]([NH+](C)C)[*:1]
CCCC(=CC(=O)N(C)c1ccnn1C)CCC CCC[*:1] CCCC(=CC(=O)N(C)c1ccnn1C)[*:1]
CCCC(=CC(=O)N(C)c1ccnn1C)CCC Cn1nccc1[*:1] CCCC(=CC(=O)N(C)[*:1])CCC
CCc1ccccc1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 CCc1ccccc1[*:1] CC(C)(C)NC(=O)C[NH+]1CCC(CC1)CNC(=O)N[*:1]
CCc1ccccc1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 CC(C)(C)NC(=O)[*:1] CCc1ccccc1NC(=O)NCC1CC[NH+](CC1)C[*:1]
CCc1ccccc1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 CC(C)(C)NC(=O)C[*:1] CCc1ccccc1NC(=O)NCC1CC[NH+](CC1)[*:1]
CCc1ccccc1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] CCc1ccccc1NC(=O)NCC1CC[NH+](CC1)CC(=O)N[*:1]
O/N=C/c1cccnc1Cl ON=C[*:1] Clc1ncccc1[*:1]
Cc1cc(OCC(=O)c2ccccc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 O=C(C[*:1])c1ccccc1 Cc1cc(cc2O/C(=C\c3cccc(F)c3)C(=O)c12)O[*:1]
Cc1cc(OCC(=O)c2ccccc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 c1ccc(cc1)[*:1] Cc1cc(cc2O/C(=C\c3cccc(F)c3)C(=O)c12)OCC(=O)[*:1]
Cc1cc(OCC(=O)c2ccccc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 O=C(c1ccccc1)[*:1] Cc1cc(cc2O/C(=C\c3cccc(F)c3)C(=O)c12)OC[*:1]
Cc1cc(OCC(=O)c2ccccc2)cc2c1C(=O)/C(=C/c1cccc(F)c1)O2 Fc1cccc(c1)[*:1] Cc1cc(cc2OC(=C[*:1])C(=O)c12)OCC(=O)c1ccccc1
Cc1nn(C)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 Cc1nn(C)c(C)c1[*:1] O=C(CC[*:1])N[C@H](c1ccccc1)c1ccc2OCCCc2c1
Cc1nn(C)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 Cc1nn(C)c(C)c1C[*:1] O=C(C[*:1])N[C@H](c1ccccc1)c1ccc2OCCCc2c1
Cc1nn(C)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CCC(=O)N[C@H](c1ccc2OCCCc2c1)[*:1]
Cc1nn(C)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 Cc1nn(C)c(C)c1CC[*:1] O=C(N[C@H](c1ccccc1)c1ccc2OCCCc2c1)[*:1]
Cc1nn(C)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 c1cc2OCCCc2cc1[*:1] Cc1nn(C)c(C)c1CCC(=O)N[C@H](c1ccccc1)[*:1]
Cc1cncc(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)c1 Fc1ccc(c(F)c1)[*:1] Cc1cncc(c1)NC(=O)C(=O)N[C@@H]1CCN(C1)[*:1]
Cc1cncc(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)c1 Cc1cncc(c1)[*:1] O=C(N[C@@H]1CCN(C1)c1ccc(F)cc1F)C(=O)N[*:1]
CCc1ccccc1NC(=O)N1CCN(CCn2c(C)nc3cccnc32)CC1 CCc1ccccc1[*:1] Cc1nc2cccnc2n1CCN1CCN(CC1)C(=O)N[*:1]
CSC[C@H](C)C(=O)N[C@@H](C)CCc1ccc(F)c(F)c1 CSC[C@H](C)[*:1] C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)[*:1]
CSC[C@H](C)C(=O)N[C@@H](C)CCc1ccc(F)c(F)c1 CSC[*:1] C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)[C@@H](C)[*:1]
CCc1nsc(N2CCN(c3[nH+]ccn(C)c3=O)CC2)n1 CCc1nsc(n1)[*:1] Cn1cc[nH+]c(c1=O)N1CCN(CC1)[*:1]
COc1ccc(-c2ncnc(C(F)(F)F)c2-c2cscn2)c(O)c1 FC(F)(F)[*:1] COc1ccc(c(O)c1)-c1ncnc(c1-c1cscn1)[*:1]
COc1ccc(-c2ncnc(C(F)(F)F)c2-c2cscn2)c(O)c1 c1nc(cs1)[*:1] COc1ccc(c(O)c1)-c1ncnc(c1[*:1])C(F)(F)F
CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(c2[nH+]c(C)cc(C)c2C#N)CC1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](C[*:1])C(=O)NC1CCN(CC1)c1[nH+]c(C)cc(C)c1C#N
CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(c2[nH+]c(C)cc(C)c2C#N)CC1 CC(=O)N[*:1] Cc1cc(C)c(C#N)c([nH+]1)N1CCC(CC1)NC(=O)[C@H](Cc1ccccc1)[*:1]
CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(c2[nH+]c(C)cc(C)c2C#N)CC1 c1ccc(cc1)C[*:1] CC(=O)N[C@@H](C(=O)NC1CCN(CC1)c1[nH+]c(C)cc(C)c1C#N)[*:1]
CCOc1oc(C[C@H]2CCCCO2)nc1C(=O)[O-] C1CC[C@@H](OC1)[*:1] CCOc1oc(C[*:1])nc1C(=O)[O-]
CCOc1oc(C[C@H]2CCCCO2)nc1C(=O)[O-] CCO[*:1] O=C([O-])c1nc(C[C@H]2CCCCO2)oc1[*:1]
CCOc1oc(C[C@H]2CCCCO2)nc1C(=O)[O-] O=C([O-])[*:1] CCOc1oc(C[C@H]2CCCCO2)nc1[*:1]
COc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](NC(=O)C(=O)Nc1ccccc1C(F)(F)F)[*:1]
COc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1C(F)(F)F)[*:1]
COc1ccc([C@H](NC(=O)C(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H](NC(=O)C(=O)Nc1ccccc1[*:1])C(C)C
Cc1ccccc1C[C@H](C)NC(=O)NOC1CCCC1 C1CCC(C1)[*:1] Cc1ccccc1C[C@H](C)NC(=O)NO[*:1]
O=c1ccc(-c2ccc(-n3ccnc3)cc2)n[nH]1 c1cn(cn1)[*:1] O=c1ccc(n[nH]1)-c1ccc(cc1)[*:1]
CCN(Cc1ccccc1)C(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] CCN(Cc1ccccc1)C(=O)CN1C(=O)N[C@](CC)(C1=O)[*:1]
CCN(Cc1ccccc1)C(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CN1C(=O)N[C@@](CC)(C1=O)c1ccc(F)cc1
CCN(Cc1ccccc1)C(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O c1ccc(cc1)C[*:1] CCN(C(=O)CN1C(=O)N[C@@](CC)(C1=O)c1ccc(F)cc1)[*:1]
COCCn1/c(=N\C(=O)COc2cccc(C)c2)sc2cc(S(C)(=O)=O)ccc21 Cc1cccc(c1)[*:1] COCCn1/c(=N\C(=O)CO[*:1])sc2cc(ccc21)S(C)(=O)=O
COCCn1/c(=N\C(=O)COc2cccc(C)c2)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] COCCn1/c(=N\C(=O)COc2cccc(C)c2)sc2cc(ccc21)[*:1]
COCCn1/c(=N\C(=O)COc2cccc(C)c2)sc2cc(S(C)(=O)=O)ccc21 COCC[*:1] Cc1cccc(c1)OCC(=O)/N=c1/sc2cc(ccc2n1[*:1])S(C)(=O)=O
COCCn1/c(=N\C(=O)COc2cccc(C)c2)sc2cc(S(C)(=O)=O)ccc21 COC[*:1] Cc1cccc(c1)OCC(=O)/N=c1/sc2cc(ccc2n1C[*:1])S(C)(=O)=O
COCCn1/c(=N\C(=O)COc2cccc(C)c2)sc2cc(S(C)(=O)=O)ccc21 Cc1cccc(c1)O[*:1] COCCn1/c(=N\C(=O)C[*:1])sc2cc(ccc21)S(C)(=O)=O
COCCn1/c(=N\C(=O)COc2cccc(C)c2)sc2cc(S(C)(=O)=O)ccc21 Cc1cccc(c1)OC[*:1] COCCn1/c(=N\C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
C=CCN(CC=C)C(=O)NC[C@@H](C)c1ccsc1 c1cc(cs1)[*:1] C=CCN(CC=C)C(=O)NC[C@@H](C)[*:1]
C=CCN(CC=C)C(=O)NC[C@@H](C)c1ccsc1 C=CC[*:1] C=CCN(C(=O)NC[C@@H](C)c1ccsc1)[*:1]
CC(C)(C)Oc1ccc(C(=O)NCC(=O)Nc2cccnc2)cc1 c1cncc(c1)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)NCC(=O)N[*:1]
CC(C)(C)Oc1ccc(C(=O)NCC(=O)Nc2cccnc2)cc1 CC(C)(C)[*:1] O=C(CNC(=O)c1ccc(cc1)O[*:1])Nc1cccnc1
CC(C)(C)Oc1ccc(C(=O)NCC(=O)Nc2cccnc2)cc1 CC(C)(C)O[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])Nc1cccnc1
CCCc1ccc(-c2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)sc2C)cc1 CCCc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1cccc(c1)S(C)(=O)=O
CCCc1ccc(-c2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)sc2C)cc1 CCC[*:1] Cc1sc(nc1-c1ccc(cc1)[*:1])NC(=O)c1cccc(c1)S(C)(=O)=O
CCCc1ccc(-c2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)sc2C)cc1 CS(=O)(=O)[*:1] CCCc1ccc(cc1)-c1nc(NC(=O)c2cccc(c2)[*:1])sc1C
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1cccnc1)Nc1ccc(F)cc1 c1cncc(c1)C[*:1] O=C(C[C@H]1C(=O)N(C(=O)N1[*:1])c1ccccc1)Nc1ccc(F)cc1
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1cccnc1)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=C1[C@H](C[*:1])N(Cc2cccnc2)C(=O)N1c1ccccc1
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1cccnc1)Nc1ccc(F)cc1 c1cncc(c1)[*:1] O=C(C[C@H]1C(=O)N(C(=O)N1C[*:1])c1ccccc1)Nc1ccc(F)cc1
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1cccnc1)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(C[C@H]1C(=O)N(C(=O)N1Cc1cccnc1)[*:1])Nc1ccc(F)cc1
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1cccnc1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[C@H]1C(=O)N(C(=O)N1Cc1cccnc1)c1ccccc1)N[*:1]
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 O=[N+]([O-])[*:1] COc1ccc(NC(=O)c2ccc(cc2)[*:1])c2ccccc12
Cc1cccc(CCCOC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)n1 Cc1cccc(n1)[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)OCCC[*:1]
C[C@](CO)(NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1CC1 C1CO[C@@H](C1)CO[*:1] C[C@](CO)(NC(=O)Nc1cc(Cl)ccc1[*:1])C1CC1
C[C@](CO)(NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1CC1 C1CO[C@@H](C1)[*:1] C[C@](CO)(NC(=O)Nc1cc(Cl)ccc1OC[*:1])C1CC1
C[C@](CO)(NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1CC1 C1CO[C@@H](C1)C[*:1] C[C@](CO)(NC(=O)Nc1cc(Cl)ccc1O[*:1])C1CC1
C[C@](CO)(NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1CC1 C1CC1[*:1] C[C@](CO)(NC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)[*:1]
CS(=O)(=O)N1CCO[C@@H](CNc2nccc(C3CCCC3)n2)C1 C1CCC(C1)[*:1] CS(=O)(=O)N1CCO[C@@H](CNc2nccc(n2)[*:1])C1
CN(CC(F)(F)F)C(=O)COc1ccccc1Br FC(F)(F)[*:1] CN(C[*:1])C(=O)COc1ccccc1Br
CN(CC(F)(F)F)C(=O)COc1ccccc1Br FC(F)(F)C[*:1] CN(C(=O)COc1ccccc1Br)[*:1]
O=C(CCn1ccc2c(Cl)cccc21)Nc1nncs1 c1nnc(s1)[*:1] O=C(CCn1ccc2c(Cl)cccc21)N[*:1]
Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4cc(C)on4)C3)c2)c1 Cc1cccc(c1)[*:1] Cc1cc(no1)C(=O)N1CCC[C@H](C1)C(=O)Nc1cccc(c1)[*:1]
Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4cc(C)on4)C3)c2)c1 Cc1cc(no1)[*:1] Cc1cccc(c1)-c1cccc(c1)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(N2CC[C@@H](NC(=O)CC(C)(C)C)C2=O)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)N1CC[C@@H](NC(=O)C[*:1])C1=O
Cc1ccc(N2CC[C@@H](NC(=O)CC(C)(C)C)C2=O)cc1C CC(C)(C)C[*:1] Cc1ccc(cc1C)N1CC[C@@H](NC(=O)[*:1])C1=O
CN(C(=O)NCC1(c2ccc(F)cc2F)CC1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)NCC1(CC1)c1ccc(F)cc1F)[*:1]
C[C@H](CN(C)C(=O)c1c(O)cccc1O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CN(C)C(=O)c1c(O)cccc1O)[*:1]
CC(C)c1ccc(S(=O)(=O)[C@@H]2CCC(C)(C)[C@@H]2[NH3+])cc1 CC(C)[*:1] CC1(C)CC[C@H]([C@H]1[NH3+])S(=O)(=O)c1ccc(cc1)[*:1]
OC[C@@H](CCSc1ccccc1)c1ccc(Br)cc1 c1ccc(cc1)[*:1] OC[C@@H](CCS[*:1])c1ccc(Br)cc1
C[C@@H]1CC[C@@H](C(=O)[O-])[C@H](SCC[NH+](C)C)C1 O=C([O-])[*:1] C[C@@H]1CC[C@@H]([C@@H](C1)SCC[NH+](C)C)[*:1]
N#Cc1ccc(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N[*:1]
N#Cc1ccc(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCO[C@H]1[*:1]
CCN(CC)C(=O)c1ccc(C(=O)N(C)[C@@H]2C[C@@](C)(OC)C2(C)C)cc1 CCN(CC)C(=O)[*:1] CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc(cc2)[*:1])C1(C)C
CCc1nn(C)c(NCCNC(=O)c2cccnc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(NCCNC(=O)c2cccnc2)c1[*:1]
CCc1nn(C)c(NCCNC(=O)c2cccnc2)c1[N+](=O)[O-] c1cncc(c1)[*:1] CCc1nn(C)c(NCCNC(=O)[*:1])c1[N+](=O)[O-]
COc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
C[C@@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C[C@@H]1O c1csc(c1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1cc(n(n1)-c1ccccc1)[*:1]
C[C@@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1cc(-c2cccs2)n(n1)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCC[C@@H]1C1OCCO1 C1COC(O1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N1CCCC[C@H]1[*:1]
CCN(CC)c1ccc(C(=O)Nc2cc(-c3ccncc3)nn2C)cc1 CCN(CC)[*:1] Cn1nc(cc1NC(=O)c1ccc(cc1)[*:1])-c1ccncc1
CCN(CC)c1ccc(C(=O)Nc2cc(-c3ccncc3)nn2C)cc1 c1cc(ccn1)[*:1] CCN(CC)c1ccc(cc1)C(=O)Nc1cc(nn1C)[*:1]
O=C1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C1C[C@@H](CN1[*:1])c1nc2ccccc2n1Cc1cccc(Cl)c1
O=C1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](CN1C[*:1])c1nc2ccccc2n1Cc1cccc(Cl)c1
O=C1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1Cc1ccc(F)cc1 Clc1cccc(c1)C[*:1] O=C1C[C@@H](CN1Cc1ccc(F)cc1)c1nc2ccccc2n1[*:1]
O=C1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1Cc1ccc(F)cc1 Clc1cccc(c1)[*:1] O=C1C[C@@H](CN1Cc1ccc(F)cc1)c1nc2ccccc2n1C[*:1]
CS(=O)(=O)C[C@H](NC(=O)NCCC1CCCCC1)c1ccccc1 CS(=O)(=O)[*:1] O=C(NCCC1CCCCC1)N[C@@H](C[*:1])c1ccccc1
CS(=O)(=O)C[C@H](NC(=O)NCCC1CCCCC1)c1ccccc1 CS(=O)(=O)C[*:1] O=C(NCCC1CCCCC1)N[C@H](c1ccccc1)[*:1]
CS(=O)(=O)C[C@H](NC(=O)NCCC1CCCCC1)c1ccccc1 C1CCC(CC1)CC[*:1] CS(=O)(=O)C[C@H](NC(=O)N[*:1])c1ccccc1
CS(=O)(=O)C[C@H](NC(=O)NCCC1CCCCC1)c1ccccc1 C1CCC(CC1)C[*:1] CS(=O)(=O)C[C@H](NC(=O)NC[*:1])c1ccccc1
CS(=O)(=O)C[C@H](NC(=O)NCCC1CCCCC1)c1ccccc1 C1CCC(CC1)[*:1] CS(=O)(=O)C[C@H](NC(=O)NCC[*:1])c1ccccc1
CS(=O)(=O)C[C@H](NC(=O)NCCC1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)C[C@H](NC(=O)NCCC1CCCCC1)[*:1]
CC(C)(C)N1C[C@H](NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1=O c1cn(cn1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)NC(=O)NCc1ccc(c(F)c1)[*:1]
CC(C)(C)N1C[C@H](NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1=O CC(C)(C)[*:1] O=C(NCc1ccc(c(F)c1)-n1ccnc1)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCc1ccnc(-n2cccn2)c1)C(=O)Nc1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(NCc1ccnc(c1)-n1cccn1)C(=O)N[*:1]
O=C(NCc1ccnc(-n2cccn2)c1)C(=O)Nc1cccc(F)c1F c1cnn(c1)[*:1] O=C(NCc1ccnc(c1)[*:1])C(=O)Nc1cccc(F)c1F
CSc1nc([O-])nc(C)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CSc1nc([O-])nc(C)c1C(=O)N[C@@H](C)[*:1]
CCOC(=O)c1ncccc1NC(=O)Cc1ccc(F)c(F)c1 CCOC(=O)[*:1] O=C(Cc1ccc(F)c(F)c1)Nc1cccnc1[*:1]
O=C(c1ccc(OC2CCN(C(=O)N3CCCC3)CC2)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(N1CCCC1)N1CCC(CC1)Oc1ccc(cc1)[*:1]
c1ccc([C@@H](CC[NH2+]Cc2ccco2)c2ccco2)cc1 c1coc(c1)[*:1] c1ccc(cc1)[C@@H](CC[NH2+]Cc1ccco1)[*:1]
c1ccc([C@@H](CC[NH2+]Cc2ccco2)c2ccco2)cc1 c1coc(c1)C[*:1] c1ccc(cc1)[C@@H](CC[NH2+][*:1])c1ccco1
c1ccc([C@@H](CC[NH2+]Cc2ccco2)c2ccco2)cc1 c1coc(c1)[*:1] c1ccc(cc1)[C@@H](CC[NH2+]C[*:1])c1ccco1
c1ccc([C@@H](CC[NH2+]Cc2ccco2)c2ccco2)cc1 c1ccc(cc1)[*:1] c1coc(c1)C[NH2+]CC[C@@H](c1ccco1)[*:1]
CC(C)C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 CC(C)[*:1] O=C(N1CCN(CC1)Cc1nc(cs1)-c1ccc(Cl)cc1)[*:1]
CC(C)C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 Clc1ccc(cc1)[*:1] CC(C)C(=O)N1CCN(CC1)Cc1nc(cs1)[*:1]
CCSC1(C[NH2+]Cc2ccc([S@](C)=O)cc2)CCOCC1 CCS[*:1] C[S@](=O)c1ccc(cc1)C[NH2+]CC1(CCOCC1)[*:1]
CCSC1(C[NH2+]Cc2ccc([S@](C)=O)cc2)CCOCC1 C[S@](=O)[*:1] CCSC1(CCOCC1)C[NH2+]Cc1ccc(cc1)[*:1]
CN(Cc1ccccc1F)C(=O)C[C@H]1Sc2ccccc2NC1=O Fc1ccccc1C[*:1] CN(C(=O)C[C@H]1Sc2ccccc2NC1=O)[*:1]
CN(Cc1ccccc1F)C(=O)C[C@H]1Sc2ccccc2NC1=O Fc1ccccc1[*:1] CN(C[*:1])C(=O)C[C@H]1Sc2ccccc2NC1=O
COc1ccccc1CN1CCN([C@@H](C)CC#N)CC1 N#CC[*:1] COc1ccccc1CN1CCN(CC1)[C@@H](C)[*:1]
CNC(=O)[C@@H]1CCCC[C@@H]1Nc1cncc(-n2ccnc2C)n1 Cc1nccn1[*:1] CNC(=O)[C@@H]1CCCC[C@@H]1Nc1cncc(n1)[*:1]
CNC(=O)[C@@H]1CCCC[C@@H]1Nc1cncc(-n2ccnc2C)n1 CNC(=O)[*:1] Cc1nccn1-c1cncc(n1)N[C@H]1CCCC[C@H]1[*:1]
C[C@H]1CC[C@H](CCC(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)O1 C[C@H]1CC[C@H](C[*:1])O1 O=C(C[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
C[C@H]1CC[C@H](CCC(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)O1 C[C@H]1CC[C@H](O1)[*:1] O=C(CC[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CC(C)c1ccc(cc1)[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1C[*:1]
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2C[C@@H]2CCCO2)cc1 CC(C)[*:1] O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(cc1)[*:1])c1ccc(Cl)cc1
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2C[C@@H]2CCCO2)cc1 Clc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C[C@@H]1CCCO1
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2C[C@@H]2CCCO2)cc1 O=C(c1ccc(Cl)cc1)[*:1] CC(C)c1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1C[C@@H]1CCCO1)[*:1]
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] CC(C)c1ccc(cc1)[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1[*:1]
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2C[C@@H]2CCCO2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1[*:1])c1ccc(Cl)cc1
CCCn1ncnc1C[C@H](CO)c1cccc(F)c1 CCC[*:1] OC[C@@H](Cc1ncnn1[*:1])c1cccc(F)c1
C[C@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccnc1 CS(=O)(=O)[*:1] C[C@H](N[C@@H](c1ccccc1)c1cccc(c1)[*:1])c1cccnc1
C[C@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](N[C@@H](c1ccccc1)c1cccc(c1)S(C)(=O)=O)[*:1]
C[C@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccnc1 C[C@H](c1cccnc1)[*:1] CS(=O)(=O)c1cccc(c1)[C@@H](N[*:1])c1ccccc1
C[C@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cccnc1 c1ccc(cc1)[*:1] C[C@H](N[C@@H](c1cccc(c1)S(C)(=O)=O)[*:1])c1cccnc1
COc1cccc([C@@H](C)CC(=O)N2CCC[C@H]2c2ccccc2)c1 COc1cccc(c1)[*:1] C[C@@H](CC(=O)N1CCC[C@H]1c1ccccc1)[*:1]
COc1cccc([C@@H](C)CC(=O)N2CCC[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)N1CCC[C@@H]1[*:1]
Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(CCCOC(C)C)C3=O)c(O)c1 CC(C)OCC[*:1] Cc1cc(C)c(c(O)c1)-c1n[nH]c2C(=O)N(C[*:1])[C@@H](c3ccc(F)cc3)c12
Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(CCCOC(C)C)C3=O)c(O)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)c(c(O)c1)-c1n[nH]c2C(=O)N(CCCOC(C)C)[C@@H](c12)[*:1]
Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(CCCOC(C)C)C3=O)c(O)c1 CC(C)OC[*:1] Cc1cc(C)c(c(O)c1)-c1n[nH]c2C(=O)N(CC[*:1])[C@@H](c3ccc(F)cc3)c12
Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(CCCOC(C)C)C3=O)c(O)c1 Cc1cc(C)c(c(O)c1)[*:1] CC(C)OCCCN1C(=O)c2[nH]nc(c2[C@@H]1c1ccc(F)cc1)[*:1]
Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(CCCOC(C)C)C3=O)c(O)c1 CC(C)OCCC[*:1] Cc1cc(C)c(c(O)c1)-c1n[nH]c2C(=O)N([C@@H](c3ccc(F)cc3)c12)[*:1]
Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(CCCOC(C)C)C3=O)c(O)c1 CC(C)O[*:1] Cc1cc(C)c(c(O)c1)-c1n[nH]c2C(=O)N(CCC[*:1])[C@@H](c3ccc(F)cc3)c12
Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(CCCOC(C)C)C3=O)c(O)c1 CC(C)[*:1] Cc1cc(C)c(c(O)c1)-c1n[nH]c2C(=O)N(CCCO[*:1])[C@@H](c3ccc(F)cc3)c12
C[C@@H]1C[NH+](Cc2nc(-c3ccoc3)no2)C[C@@H](C)S1 c1cc(co1)[*:1] C[C@@H]1C[NH+](Cc2nc(no2)[*:1])C[C@@H](C)S1
CC(C)CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2 CC(C)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc([nH]c(=O)c1[C@H]2c1cccc(O)c1)SCC[*:1]
CC(C)CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2 CC(C)C[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc([nH]c(=O)c1[C@H]2c1cccc(O)c1)SC[*:1]
CC(C)CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2 CC(C)CC[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc([nH]c(=O)c1[C@H]2c1cccc(O)c1)S[*:1]
CC(C)CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2 CC(C)CCS[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc([nH]c(=O)c1[C@H]2c1cccc(O)c1)[*:1]
CC(C)CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2 Oc1cccc(c1)[*:1] CC(C)CCSc1nc2NC3CC(C)(C)CC(=O)C=3[C@H](c2c(=O)[nH]1)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C2=CCN(C(N)=O)CC2)cc1 Cc1ccc(Cl)cc1[*:1] C[C@H](Oc1ccc(cc1)C1=CCN(CC1)C(N)=O)C(=O)N[*:1]
CC(=O)N1CCN(CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC(=O)N1CCN(CCNc2cc3nc[nH]c(=O)c3cc2[*:1])CC1
CCOc1ccccc1CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 CCO[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)NCCc1ccccc1[*:1]
CCOc1ccccc1CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 CCOc1ccccc1[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)NCC[*:1]
CCOc1ccccc1CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] CCOc1ccccc1CCNC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1nn2cc(C(=O)NCCNC(=O)CC(C)C)nc2s1 CC(C)C[*:1] Cc1nn2cc(nc2s1)C(=O)NCCNC(=O)[*:1]
Cc1nn2cc(C(=O)NCCNC(=O)CC(C)C)nc2s1 CC(C)[*:1] Cc1nn2cc(nc2s1)C(=O)NCCNC(=O)C[*:1]
Cc1nn2cc(C(=O)NCCNC(=O)CC(C)C)nc2s1 CC(C)CC(=O)N[*:1] Cc1nn2cc(nc2s1)C(=O)NCC[*:1]
O=C(NC1CCCC1)[C@H]1CCCN(C(=O)C2=CC3=CC=N[C@H]3C=C2)C1 C1CCC(C1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)C1C=C[C@@H]2N=CC=C2C=1
O=C(NC1CCCC1)[C@H]1CCCN(C(=O)C2=CC3=CC=N[C@H]3C=C2)C1 O=C(NC1CCCC1)[*:1] O=C(C1C=C[C@@H]2N=CC=C2C=1)N1CCC[C@@H](C1)[*:1]
Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1c(nn2c1N=C(O)C[C@@H]2C(=O)N[*:1])-c1ccc(F)cc1
Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(F)c1 Fc1ccc(cc1)[*:1] Cc1c(nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(F)c1)[*:1]
CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C3CCCC3)CC(=O)N21 C1CCC(C1)[*:1] CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CC(=O)N21)[*:1]
NC(=[NH2+])NCc1ccccc1CN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=[NH2+])NCc1ccccc1CN1CCN(CC1)[*:1]
CC[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)[*:1]
CS(=O)(=O)NC1CCN(c2ccc3cc(C#N)ccc3n2)CC1 CS(=O)(=O)N[*:1] N#Cc1ccc2nc(ccc2c1)N1CCC(CC1)[*:1]
CCOc1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 C1CO[C@H](C1)[*:1] CCOc1cccc(c1)C(=O)N(C[*:1])[C@H]1CCSC1
CCOc1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 CCO[*:1] O=C(c1cccc(c1)[*:1])N(C[C@H]1CCCO1)[C@H]1CCSC1
CCOc1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 C1CO[C@H](C1)C[*:1] CCOc1cccc(c1)C(=O)N([C@H]1CCSC1)[*:1]
COc1cc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)cc(OC)c1OC O=c1ccc(c[nH]1)[*:1] COc1cc(cc(OC)c1OC)C(=O)NNC(=O)[*:1]
COCCNc1ncnc2sc(C(=O)NCc3nc4ccccc4s3)c(C)c12 COCCN[*:1] Cc1c(sc2ncnc(c12)[*:1])C(=O)NCc1nc2ccccc2s1
COCCNc1ncnc2sc(C(=O)NCc3nc4ccccc4s3)c(C)c12 COC[*:1] Cc1c(sc2ncnc(NC[*:1])c12)C(=O)NCc1nc2ccccc2s1
COCCNc1ncnc2sc(C(=O)NCc3nc4ccccc4s3)c(C)c12 c1ccc2sc(nc2c1)[*:1] COCCNc1ncnc2sc(C(=O)NC[*:1])c(C)c12
COCCNc1ncnc2sc(C(=O)NCc3nc4ccccc4s3)c(C)c12 COCC[*:1] Cc1c(sc2ncnc(N[*:1])c12)C(=O)NCc1nc2ccccc2s1
Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H](c1ccccc1)C1CCCC1 C1CCC(C1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H](c1ccccc1)C1CCCC1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CCCC1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H](c1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H](C1CCCC1)[*:1]
CCCCSc1nc([O-])c([C@H]2[NH2+]CCc3ccccc32)c(=O)n1CC CCCC[*:1] CCn1c(nc([O-])c(c1=O)[C@H]1[NH2+]CCc2ccccc21)S[*:1]
CCCCSc1nc([O-])c([C@H]2[NH2+]CCc3ccccc32)c(=O)n1CC CCC[*:1] CCn1c(nc([O-])c(c1=O)[C@H]1[NH2+]CCc2ccccc21)SC[*:1]
CCCCSc1nc([O-])c([C@H]2[NH2+]CCc3ccccc32)c(=O)n1CC CCCCS[*:1] CCn1c(nc([O-])c(c1=O)[C@H]1[NH2+]CCc2ccccc21)[*:1]
CCS(=O)(=O)N1CCC(C(=O)Nc2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)c1nc2c(n1C)CC[NH+](Cc1coc(-c3cccs3)n1)C2 c1csc(c1)[*:1] CC(C)c1nc2C[NH+](CCc2n1C)Cc1coc(n1)[*:1]
CC(C)c1nc2c(n1C)CC[NH+](Cc1coc(-c3cccs3)n1)C2 CC(C)[*:1] Cn1c(nc2C[NH+](CCc21)Cc1coc(n1)-c1cccs1)[*:1]
O=C1[C@H](Sc2nnc(-c3ccc(Cl)cc3)o2)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](CCN1[*:1])Sc1nnc(o1)-c1ccc(Cl)cc1
O=C1[C@H](Sc2nnc(-c3ccc(Cl)cc3)o2)CCN1c1ccccc1 Clc1ccc(cc1)[*:1] O=C1[C@@H](CCN1c1ccccc1)Sc1nnc(o1)[*:1]
Cc1nc(CNC(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)oc1C Cc1nc(oc1C)[*:1] O=C(NC[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
Cc1nc(CNC(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)oc1C Cc1nc(C[*:1])oc1C O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)N[*:1]
Cc1ccc(OCCC(=O)[C@H](C#N)c2nnc3n2CCCCC3)c(C)c1 Cc1ccc(c(C)c1)[*:1] N#C[C@@H](C(=O)CCO[*:1])c1nnc2CCCCCn21
Cn1ccnc1[C@@](O)(CCNc1nc(C2CC2)ns1)C(F)(F)F Cn1ccnc1[*:1] O[C@@](CCNc1nc(ns1)C1CC1)(C(F)(F)F)[*:1]
Cn1ccnc1[C@@](O)(CCNc1nc(C2CC2)ns1)C(F)(F)F C1CC1[*:1] Cn1ccnc1[C@@](O)(CCNc1nc(ns1)[*:1])C(F)(F)F
Cn1ccnc1[C@@](O)(CCNc1nc(C2CC2)ns1)C(F)(F)F FC(F)(F)[*:1] Cn1ccnc1[C@@](O)(CCNc1nc(ns1)C1CC1)[*:1]
O=[N+]([O-])c1cccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cccc(c1)CN1CCc2ccc(cc2C1)[*:1]
O=[N+]([O-])c1cccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc2CCN(Cc3cccc(c3)[*:1])Cc2c1
COC(=O)[C@@H]1CCN(C(=O)CC2=CCCCC2)c2ccccc21 COC(=O)[*:1] O=C(CC1=CCCCC1)N1CC[C@H](c2ccccc21)[*:1]
COc1ccc(-c2cccc(Cl)c2C(=O)[O-])c(F)c1 O=C([O-])[*:1] COc1ccc(c(F)c1)-c1cccc(Cl)c1[*:1]
CN(/N=C/c1ccccc1C(=O)[O-])C1=[NH+]CCCCN1 O=C([O-])[*:1] CN(/N=C/c1ccccc1[*:1])C1NCCCC[NH+]=1
COC[C@H](C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCOCC1 COC[*:1] C[C@H](NC(=O)C1(CCOCC1)Cc1ccccc1-c1cccnc1)[*:1]
COC[C@H](C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCOCC1 c1cncc(c1)[*:1] COC[C@H](C)NC(=O)C1(CCOCC1)Cc1ccccc1[*:1]
COc1ccc(CCNc2ncnc3c2ncn3-c2ccc(Cl)cc2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCNc1ncnc2c1ncn2[*:1]
CC[C@@H](C)[NH2+][C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[NH2+][C@H](Cc1c[nH]c2ccccc12)[*:1]
CNC(=O)Cc1ccc(NC(=O)NC)cc1 CNC(=O)[*:1] CNC(=O)Nc1ccc(cc1)C[*:1]
CNC(=O)Cc1ccc(NC(=O)NC)cc1 CNC(=O)C[*:1] CNC(=O)Nc1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC(=O)NC)cc1 CNC(=O)N[*:1] CNC(=O)Cc1ccc(cc1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C)C1 Cc1ccc(Cl)cc1[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)C(=O)N[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C)C1 CC(=O)NC[*:1] Cc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2C)C1 CC(=O)N[*:1] Cc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H](C1)C[*:1]
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cc1C(=O)[*:1]
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 O=C(c1ccccc1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cc1[*:1]
Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)on1 Fc1cccc(c1)[*:1] Cc1cc(on1)-c1cnc(C)nc1[C@@H]1CCCCN1C(=O)C[*:1]
Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)on1 Fc1cccc(c1)C[*:1] Cc1cc(on1)-c1cnc(C)nc1[C@@H]1CCCCN1C(=O)[*:1]
Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)on1 Cc1cc(on1)[*:1] Cc1ncc(c(n1)[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1)[*:1]
O=C(CNC(=O)c1ccccc1)NCCCn1cc[nH+]c1 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])NCCCn1cc[nH+]c1
O=C(Nc1cccc(F)c1C(=O)[O-])c1ccc(Cl)nc1 O=C([O-])[*:1] O=C(Nc1cccc(F)c1[*:1])c1ccc(Cl)nc1
C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)[*:1]
C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)c1ccc(O)cc1 c1csc(c1)C[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)c1ccc(O)cc1
C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)c1ccc(O)cc1 c1csc(c1)[*:1] C[C@@H](C(=O)NC[*:1])S(=O)(=O)c1ccc(O)cc1
CCOc1ccccc1/C=C(\C#N)C(=O)NC(C)C CC(C)NC(=O)[*:1] CCOc1ccccc1C=C(C#N)[*:1]
CCOc1ccccc1/C=C(\C#N)C(=O)NC(C)C CCO[*:1] CC(C)NC(=O)/C(C#N)=C/c1ccccc1[*:1]
CCOc1ccccc1/C=C(\C#N)C(=O)NC(C)C CC(C)[*:1] CCOc1ccccc1/C=C(\C#N)C(=O)N[*:1]
COCCOc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(OC)c1 COC[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1ccccc1OC[*:1]
COCCOc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(OC)c1 COCCO[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1ccccc1[*:1]
COCCOc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] COCCOc1ccccc1NC(=O)N1CCC[C@@H]1[*:1]
COCCOc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(OC)c1 COCC[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1ccccc1O[*:1]
COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccccc1Br)CC2 Brc1ccccc1[*:1] COc1ccc2CC[C@H]([NH2+][C@@H](C)[*:1])c2c1
COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1OC C1CCC(C1)[*:1] COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)N[*:1])c1OC
COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1OC COc1cccc(C[*:1])c1OC C[C@@]1(Cn2c(nc3ccccc32)C(=O)N1[*:1])C(=O)NC1CCCC1
COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1OC O=C(NC1CCCC1)[*:1] COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)[*:1])c1OC
COc1cccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1OC COc1cccc(c1OC)[*:1] C[C@@]1(Cn2c(nc3ccccc32)C(=O)N1C[*:1])C(=O)NC1CCCC1
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCCCC1 c1ccc(cc1)[*:1] C[C@@H]1CN(CC[C@@H]1[NH+]1CCCCC1)C[*:1]
CN(CCS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1
CN(CCS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 CS(=O)(=O)CC[*:1] CN(C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[*:1]
CN(CCS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CN(CCS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CN(CCS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1
CN(CCS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] CN(CCS(C)(=O)=O)C(=O)N[C@H]([C@@H]1CCCO1)[*:1]
Cc1nc(CN2CCC(=O)N[C@H](CC(C)C)C2=O)sc1C Cc1nc(sc1C)[*:1] CC(C)C[C@H]1NC(=O)CCN(C[*:1])C1=O
Cc1nc(CN2CCC(=O)N[C@H](CC(C)C)C2=O)sc1C CC(C)C[*:1] Cc1nc(CN2CCC(=O)N[C@H](C2=O)[*:1])sc1C
Cc1nc(CN2CCC(=O)N[C@H](CC(C)C)C2=O)sc1C CC(C)[*:1] Cc1nc(CN2CCC(=O)N[C@H](C[*:1])C2=O)sc1C
Cc1ccc(CNc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)CNc1ncnc(S[*:1])c1N
Cc1ccc(CNc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1 Cc1ccc(cc1)[*:1] Nc1c(ncnc1Sc1ccc(Cl)cc1)NC[*:1]
Cc1ccc(CNc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1 Clc1ccc(cc1)S[*:1] Cc1ccc(cc1)CNc1ncnc(c1N)[*:1]
Cc1ccc(CNc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1 Cc1ccc(cc1)C[*:1] Nc1c(ncnc1Sc1ccc(Cl)cc1)N[*:1]
Cc1ccc(NC(=O)C[C@@H]2CCCO2)cc1C(=O)N(C)C C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)[*:1]
Cc1ccc(NC(=O)C[C@@H]2CCCO2)cc1C(=O)N(C)C C1CO[C@@H](C1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)C[*:1]
Cc1ccc(NC(=O)C[C@@H]2CCCO2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C[C@@H]1CCCO1
COC1CC[NH+](CCNC(=O)c2sccc2Br)CC1 Brc1ccsc1[*:1] COC1CC[NH+](CCNC(=O)[*:1])CC1
CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)[C@@H]2c2ccc(Cl)cc2)[NH+]=C(N)c2ccccc21 Clc1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)N1C([NH+]=C(N)c3ccccc31)=C(C#N)[C@H]2[*:1]
Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(CCN4CCOCC4)cc3)CCC2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(Nc1ccc(cc1)CCN1CCOCC1)C1CCC(=O)N(N=1)[*:1]
Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(CCN4CCOCC4)cc3)CCC2=O)c1 C1CN(CCO1)CC[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(CCN4CCOCC4)cc3)CCC2=O)c1 C1CN(CCO1)C[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)Nc1ccc(cc1)C[*:1]
Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(CCN4CCOCC4)cc3)CCC2=O)c1 C1CN(CCO1)[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)Nc1ccc(cc1)CC[*:1]
CCN(c1ccccc1)S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cc(C)c1C c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1cc(cc(C)c1C)-c1ccc(=O)[nH]n1)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cc(C)c1C O=c1ccc(n[nH]1)[*:1] CCN(c1ccccc1)S(=O)(=O)c1cc(cc(C)c1C)[*:1]
CS[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 CS[C@H](C)[*:1] N#Cc1c(NC(=O)[*:1])sc2CCCc21
O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cccc(C(F)(F)F)c1 c1ccc2oc(cc2c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cccc(c1)C(F)(F)F
O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Nc1nc(cs1)-c1cc2ccccc2o1)c1cccc(c1)[*:1]
O=C(Cc1cnn(-c2ccccc2)c1)NCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] O=C(Cc1cnn(c1)-c1ccccc1)NC[*:1]
O=C(Cc1cnn(-c2ccccc2)c1)NCc1nnc2n1CCC2 c1ccc(cc1)[*:1] O=C(Cc1cnn(c1)[*:1])NCc1nnc2CCCn21
COCCS[C@@H](C)C(=O)Nc1ccc(C#N)cc1 COCCS[*:1] C[C@@H](C(=O)Nc1ccc(C#N)cc1)[*:1]
COCCS[C@@H](C)C(=O)Nc1ccc(C#N)cc1 COC[*:1] C[C@H](SC[*:1])C(=O)Nc1ccc(C#N)cc1
COCCS[C@@H](C)C(=O)Nc1ccc(C#N)cc1 COCC[*:1] C[C@H](S[*:1])C(=O)Nc1ccc(C#N)cc1
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1cc(C2CC2)on1 C1CC1[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1cc(on1)[*:1]
COc1ccc(C(=O)Nc2ncc(C)s2)c(OC)c1OC Cc1cnc(s1)[*:1] COc1ccc(C(=O)N[*:1])c(OC)c1OC
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCCc2ccc(F)cc21 CC(C)[*:1] O=C(N[C@@H]1CCCc2ccc(F)cc21)[C@@H]([NH2+]C1CCOCC1)[*:1]
COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCOC1)CC2 C1COC[C@H](C1)[*:1] COc1ccc2CC[C@@H]([NH2+]C[*:1])c2c1
C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cc2ccccc2o1 c1csc(c1)[*:1] C[C@H](NC(=O)C1CCN(CC1)C(=O)[*:1])c1cc2ccccc2o1
C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cccs1)[*:1]
O=C([O-])[C@]1(CCc2ccccc2)C[C@H]2CC[C@@H]1O2 c1ccc(cc1)[*:1] O=C([O-])[C@]1(CC[*:1])C[C@H]2CC[C@@H]1O2
O=C([O-])[C@]1(CCc2ccccc2)C[C@H]2CC[C@@H]1O2 O=C([O-])[*:1] c1ccc(cc1)CC[C@@]1(C[C@H]2CC[C@@H]1O2)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)Cn2nc(C)ccc2=O)cc1C CC(=O)N[*:1] Cc1ccc(=O)n(CC(=O)Nc2cc(C)c(c(C)c2)[*:1])n1
CC(=O)Nc1c(C)cc(NC(=O)Cn2nc(C)ccc2=O)cc1C Cc1ccc(=O)n(n1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)C[*:1]
CCC[NH2+]Cc1nc(-c2cscc2C)no1 CCC[*:1] Cc1cscc1-c1noc(C[NH2+][*:1])n1
COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)c(OC)c1 Cc1cc(C)cc(c1)[*:1] COc1ccc(/C=N/NC(=O)C(=O)N[*:1])c(c1)OC
CCOCC(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 CCO[*:1] Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)CNC(=O)C[*:1]
CCOCC(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 CCOCC(=O)N[*:1] Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C[*:1]
CCOCC(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 CCOCC(=O)NC[*:1] Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)[*:1]
CCOCC(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 CCOC[*:1] Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)CNC(=O)[*:1]
O=C(c1cc(-c2cccs2)n[nH]1)N1CCC(Oc2ncccn2)CC1 c1csc(c1)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCC(CC1)Oc1ncccn1
O=C(c1cc(-c2cccs2)n[nH]1)N1CCC(Oc2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1cc(n[nH]1)-c1cccs1)N1CCC(CC1)O[*:1]
O=C(c1cc(-c2cccs2)n[nH]1)N1CCC(Oc2ncccn2)CC1 c1cnc(nc1)O[*:1] O=C(c1cc(n[nH]1)-c1cccs1)N1CCC(CC1)[*:1]
C=CCNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 CC(C)[*:1] C=CCNC(=O)C(=O)Nc1ccc2CCCN(C(=O)[*:1])c2c1
C=CCNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 C=CC[*:1] CC(C)C(=O)N1CCCc2ccc(cc21)NC(=O)C(=O)N[*:1]
Cc1ccc(CNC(=O)c2ccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)cc2)o1 Cc1ccc(o1)[*:1] Cc1cc(C)n(CC(=O)Nc2ccc(cc2)C(=O)NC[*:1])c(=O)c1C#N
Cc1ccc(CNC(=O)c2ccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)cc2)o1 Cc1ccc(CNC(=O)[*:1])o1 Cc1cc(C)n(CC(=O)Nc2ccc(cc2)[*:1])c(=O)c1C#N
Cc1ccc(CNC(=O)c2ccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)cc2)o1 Cc1ccc(C[*:1])o1 Cc1cc(C)n(CC(=O)Nc2ccc(cc2)C(=O)N[*:1])c(=O)c1C#N
NC(=O)[C@@H]1CCCN(C(=O)CNc2c(F)cc(F)cc2F)C1 NC(=O)[*:1] O=C(CNc1c(F)cc(F)cc1F)N1CCC[C@H](C1)[*:1]
CCc1nn(C)cc1C(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 CCc1nn(C)cc1[*:1] O=C(Nc1cc([nH]n1)-c1cc(Cl)cc(Cl)c1)[*:1]
CCc1nn(C)cc1C(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 Clc1cc(Cl)cc(c1)[*:1] CCc1nn(C)cc1C(=O)Nc1cc([nH]n1)[*:1]
COc1ccc(COCCNC(=O)N2CC[C@@H]3CCCC[C@H]32)cc1 COc1ccc(cc1)[*:1] O=C(NCCOC[*:1])N1CC[C@@H]2CCCC[C@H]21
COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(cc1N[C@@H](C)C(=O)Nc1cccc(c1)[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 CC(=O)N[*:1] COc1ccc(cc1N[C@@H](C)C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
Cc1ccc([C@H](C)CNC(=O)c2cc(S(N)(=O)=O)c(C)o2)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1)[C@H](C)CNC(=O)c1cc(c(C)o1)[*:1]
Cc1ccc([C@H](C)CNC(=O)c2cc(S(N)(=O)=O)c(C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)NC[C@@H](C)[*:1]
CCOCc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 O=C1CCCN1C[*:1] CCOCc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CCOCc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cccc(c1)CN1CCCC1=O
CCOCc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 CCOC[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)CN1CCCC1=O
CCOCc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 O=C1CCCN1[*:1] CCOCc1ccc(cc1)NC(=O)c1cccc(c1)C[*:1]
COCCN(CCOC)C(=O)c1ccc2ccc(Cl)cc2n1 COC[*:1] COCCN(C[*:1])C(=O)c1ccc2ccc(Cl)cc2n1
COCCN(CCOC)C(=O)c1ccc2ccc(Cl)cc2n1 COCC[*:1] COCCN(C(=O)c1ccc2ccc(Cl)cc2n1)[*:1]
FC(F)(F)c1cccc(-n2cc(C(=S)N3CCOCC3)nn2)c1 FC(F)(F)[*:1] S=C(c1cn(nn1)-c1cccc(c1)[*:1])N1CCOCC1
CC(C)c1cc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)nn1C(C)(C)C CC(C)[*:1] Cn1c(=O)c2c(ncn2CCOC(=O)c2cc(n(n2)C(C)(C)C)[*:1])n(C)c1=O
CC(C)c1cc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)nn1C(C)(C)C CC(C)(C)[*:1] CC(C)c1cc(nn1[*:1])C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C
C[C@H](c1ccccc1)n1c([C@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21 c1ccc(cc1)[*:1] C[C@H](n1c(nc2ccccc21)[C@H]1CC(=O)N(C1)C1CCCC1)[*:1]
C[C@H](c1ccccc1)n1c([C@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21 C1CCC(C1)[*:1] C[C@H](c1ccccc1)n1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
C[C@H](c1ccccc1)n1c([C@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21 C[C@H](c1ccccc1)[*:1] O=C1C[C@@H](CN1C1CCCC1)c1nc2ccccc2n1[*:1]
Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cc(Br)ccc3Cl)n2)n1 Clc1ccc(Br)cc1[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CCNC(=O)[*:1])n1
Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cc(Br)ccc3Cl)n2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])c1cc(Br)ccc1Cl
Cc1cc2c(cc1Br)C(=O)[C@](CO)(Sc1ccc(Cl)cc1)CO2 Clc1ccc(cc1)[*:1] Cc1cc2OC[C@@](CO)(S[*:1])C(=O)c2cc1Br
O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)OCc1ccccn1 c1ccc(C[*:1])nc1 O=C(/C=C/c1cc(Cl)c2OCCOc2c1)O[*:1]
O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)OCc1ccccn1 c1ccc(nc1)[*:1] O=C(/C=C/c1cc(Cl)c2OCCOc2c1)OC[*:1]
COC(=O)[C@@]1(F)CCN(Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 Clc1ccc(cc1)[*:1] COC(=O)[C@@]1(F)CCN(Cc2c(C)nn(c2C)[*:1])C1
COC(=O)[C@@]1(F)CCN(Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1 COC(=O)[*:1] Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CC[C@](F)(C1)[*:1]
CC[C@H](C)[C@H](C[NH3+])Sc1cccc(Cl)c1 CC[C@H](C)[*:1] [NH3+]C[C@H](Sc1cccc(Cl)c1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)NCc1ncoc1C Cc1ocnc1[*:1] Cc1noc(C)c1[C@H](C)NC(=O)NC[*:1]
CCCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 CCC[*:1] O=C(Nc1ccc2Oc3ccccc3NC(=O)c2c1)c1ccc(cc1)OC[*:1]
CCCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 CCCCO[*:1] O=C(Nc1ccc2Oc3ccccc3NC(=O)c2c1)c1ccc(cc1)[*:1]
CCCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 CCCC[*:1] O=C(Nc1ccc2Oc3ccccc3NC(=O)c2c1)c1ccc(cc1)O[*:1]
COc1cc(C)c(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1cc(C)c(cc1OC)C(=O)NC[C@@H]1CCO[C@@H]1[*:1]
COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)ccc1O c1cncc(c1)[*:1] COc1cc(ccc1O)[C@@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1C[*:1]
COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)ccc1O COc1cc(ccc1O)[*:1] Cc1cc2oc3C(=O)N(Cc4cccnc4)[C@@H](c3c(=O)c2cc1Cl)[*:1]
COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)ccc1O c1cncc(c1)C[*:1] COc1cc(ccc1O)[C@@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1[*:1]
CCOc1ncnc(Nc2ccc(Br)cc2C)c1N CCO[*:1] Cc1cc(Br)ccc1Nc1ncnc(c1N)[*:1]
COCCN1C(=O)C[C@](CC(=O)N2CCCC[C@@H]2c2ccccn2)(c2ccccc2Cl)C1=O COCC[*:1] O=C(C[C@@]1(CC(=O)N(C1=O)[*:1])c1ccccc1Cl)N1CCCC[C@@H]1c1ccccn1
COCCN1C(=O)C[C@](CC(=O)N2CCCC[C@@H]2c2ccccn2)(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] COCCN1C(=O)C[C@](CC(=O)N2CCCC[C@@H]2c2ccccn2)(C1=O)[*:1]
COCCN1C(=O)C[C@](CC(=O)N2CCCC[C@@H]2c2ccccn2)(c2ccccc2Cl)C1=O c1ccc(nc1)[*:1] COCCN1C(=O)C[C@@](CC(=O)N2CCCC[C@H]2[*:1])(C1=O)c1ccccc1Cl
COCCN1C(=O)C[C@](CC(=O)N2CCCC[C@@H]2c2ccccn2)(c2ccccc2Cl)C1=O COC[*:1] O=C1C[C@@](CC(=O)N2CCCC[C@@H]2c2ccccn2)(C(=O)N1C[*:1])c1ccccc1Cl
COC(=O)[C@@H]1CCN(C(=O)C[C@@H](C)Cc2cccc(F)c2)c2ccccc21 COC(=O)[*:1] C[C@H](CC(=O)N1CC[C@H](c2ccccc21)[*:1])Cc1cccc(F)c1
COC(=O)[C@@H]1CCN(C(=O)C[C@@H](C)Cc2cccc(F)c2)c2ccccc21 Fc1cccc(c1)C[*:1] COC(=O)[C@@H]1CCN(C(=O)C[C@@H](C)[*:1])c2ccccc21
COC(=O)[C@@H]1CCN(C(=O)C[C@@H](C)Cc2cccc(F)c2)c2ccccc21 Fc1cccc(c1)[*:1] COC(=O)[C@@H]1CCN(C(=O)C[C@@H](C)C[*:1])c2ccccc21
COC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@H](C)C1 COC(=O)[*:1] C[C@H]1CCC[C@@H](C1)[NH2+]CC(C)(C)[*:1]
O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCCCC1 Clc1ccc(cc1)[*:1] O=C(c1csc(C[*:1])n1)N1CCCCC1
Fc1cc(F)c2c(c1)[C@H](N1CCC[C@H](c3nncn3C3CC3)C1)CC2 c1nnc(n1C1CC1)[*:1] Fc1cc(F)c2CC[C@H](c2c1)N1CCC[C@H](C1)[*:1]
Fc1cc(F)c2c(c1)[C@H](N1CCC[C@H](c3nncn3C3CC3)C1)CC2 C1CC1[*:1] Fc1cc(F)c2CC[C@H](c2c1)N1CCC[C@@H](C1)c1nncn1[*:1]
Cc1cc(OCc2nc(-c3cccc(F)c3)no2)nc(N2CCCCC2)n1 Fc1cccc(c1)[*:1] Cc1cc(nc(n1)N1CCCCC1)OCc1nc(no1)[*:1]
Cc1cc(OCc2nc(-c3cccc(F)c3)no2)nc(N2CCCCC2)n1 C1CCN(CC1)[*:1] Cc1cc(nc(n1)[*:1])OCc1nc(no1)-c1cccc(F)c1
CC1(C)[C@@H](C(=O)[O-])[C@H]1C(=O)Nc1ccccc1C(N)=O O=C([O-])[*:1] CC1(C)[C@@H]([C@H]1C(=O)Nc1ccccc1C(N)=O)[*:1]
CC1(C)[C@@H](C(=O)[O-])[C@H]1C(=O)Nc1ccccc1C(N)=O NC(=O)[*:1] CC1(C)[C@@H](C(=O)[O-])[C@H]1C(=O)Nc1ccccc1[*:1]
COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cn1C COC(=O)[*:1] C[C@@H]1CCC[C@H](C1)N(C)S(=O)(=O)c1cc(n(C)c1)[*:1]
Cc1ccc(N2CCN(C(=O)CCc3cc([O-])no3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1cc([O-])no1)N1CCN(C(=O)C1)[*:1]
Cc1noc([C@H]2CCCN([C@@H](C)c3ccc(Cl)c(Cl)c3)C2)n1 Cc1noc(n1)[*:1] C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C1)[*:1]
C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CCCCC1)[*:1]
C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CCCCC1)C1CCCCC1 O=C(N1CCCCC1)[*:1] C[NH+](C)[C@@H](CNC(=O)NCC[*:1])C1CCCCC1
Cc1cc(Cl)ccc1NCc1cn(C)nc1-c1cccnc1 c1cncc(c1)[*:1] Cc1cc(Cl)ccc1NCc1cn(C)nc1[*:1]
COC(=O)C1=C(C)C(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)=N[C@H]1C c1ccc(cc1)[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
COC(=O)C1=C(C)C(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1
C[C@H](NC(N)=O)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 NC(=O)N[*:1] C[C@H](C(=O)N1CCO[C@H](C1)c1ccc(F)c(F)c1)[*:1]
C[C@H](NC(N)=O)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 C[C@H](NC(N)=O)[*:1] O=C(N1CCO[C@H](C1)c1ccc(F)c(F)c1)[*:1]
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N1CCC[C@@H](C)C1 FC(F)(F)[*:1] Cc1nn(-c2cccc(c2)[*:1])c(C)c1C(=O)C(=O)N1CCC[C@@H](C)C1
C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1[C@@H](C(=O)[O-])CC[C@H]2CCCC[C@H]21 O=C([O-])[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1[*:1]
COc1cc(C)c([C@@H](C)N[C@H](C)[C@H](O)c2ccc(Cl)cc2)cc1OC Clc1ccc(cc1)[*:1] COc1cc(C)c(cc1OC)[C@@H](C)N[C@H](C)[C@H](O)[*:1]
CC(C)(C)OC(=O)N1CC[C@H]1C[NH3+] CC(C)(C)[*:1] [NH3+]C[C@@H]1CCN1C(=O)O[*:1]
CS(=O)(=O)c1ccc(N[C@@H]2CCCc3cccnc32)cn1 CS(=O)(=O)[*:1] c1cnc2c(c1)CCC[C@H]2Nc1ccc(nc1)[*:1]
CCc1n[n-]c(S(=O)(=O)Cc2cccc(C(=O)NCC(C)C)c2)n1 CC(C)C[*:1] CCc1n[n-]c(n1)S(=O)(=O)Cc1cccc(c1)C(=O)N[*:1]
CCc1n[n-]c(S(=O)(=O)Cc2cccc(C(=O)NCC(C)C)c2)n1 CC(C)CNC(=O)[*:1] CCc1n[n-]c(n1)S(=O)(=O)Cc1cccc(c1)[*:1]
CCc1n[n-]c(S(=O)(=O)Cc2cccc(C(=O)NCC(C)C)c2)n1 CC(C)[*:1] CCc1n[n-]c(n1)S(=O)(=O)Cc1cccc(c1)C(=O)NC[*:1]
CCCCN(C)S(=O)(=O)N1CCO[C@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CCCCN(C)S(=O)(=O)N1CCO[C@H](C1)[*:1]
CCCCN(C)S(=O)(=O)N1CCO[C@H](c2cccc(F)c2)C1 CCCC[*:1] CN(S(=O)(=O)N1CCO[C@@H](C1)c1cccc(F)c1)[*:1]
CCCCN(C)S(=O)(=O)N1CCO[C@H](c2cccc(F)c2)C1 CCC[*:1] CN(C[*:1])S(=O)(=O)N1CCO[C@@H](C1)c1cccc(F)c1
CC[C@@H](C)Oc1cccc(C(=O)Nc2ccccc2Br)c1 Brc1ccccc1[*:1] CC[C@@H](C)Oc1cccc(c1)C(=O)N[*:1]
CC[C@@H](C)Oc1cccc(C(=O)Nc2ccccc2Br)c1 CC[C@@H](C)O[*:1] O=C(Nc1ccccc1Br)c1cccc(c1)[*:1]
CC[C@@H](C)Oc1cccc(C(=O)Nc2ccccc2Br)c1 CC[C@@H](C)[*:1] O=C(Nc1ccccc1Br)c1cccc(c1)O[*:1]
Cc1nc(-c2cccc(NC(=O)N(C)Cc3cc(C(C)C)no3)c2)cs1 CC(C)[*:1] Cc1nc(cs1)-c1cccc(c1)NC(=O)N(C)Cc1cc(no1)[*:1]
Cc1nc(-c2cccc(NC(=O)N(C)Cc3cc(C(C)C)no3)c2)cs1 CC(C)c1cc(on1)[*:1] Cc1nc(cs1)-c1cccc(c1)NC(=O)N(C)C[*:1]
Cc1nc(-c2cccc(NC(=O)N(C)Cc3cc(C(C)C)no3)c2)cs1 Cc1nc(cs1)[*:1] CC(C)c1cc(CN(C)C(=O)Nc2cccc(c2)[*:1])on1
C[C@@]1(CN[C@H](C[NH3+])c2ccc(Cl)cc2)CCCO1 C[C@]1(CCCO1)[*:1] [NH3+]C[C@@H](NC[*:1])c1ccc(Cl)cc1
CCCCn1nc(C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)ccc1=O CCCC[*:1] CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)c1ccc(=O)n(n1)[*:1]
CCCCn1nc(C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)ccc1=O c1ccc(cc1)C[*:1] CCCCn1nc(ccc1=O)C(=O)N1C(=N[*:1])SCC1(C)C
CCCCn1nc(C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)ccc1=O CCC[*:1] CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)c1ccc(=O)n(C[*:1])n1
CCCCn1nc(C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)ccc1=O c1ccc(cc1)[*:1] CCCCn1nc(ccc1=O)C(=O)N1/C(=N\C[*:1])SCC1(C)C
C[NH2+]Cc1ccc(S(=O)(=O)NCc2cc(C)on2)c(F)c1 Cc1cc(C[*:1])no1 C[NH2+]Cc1ccc(c(F)c1)S(=O)(=O)N[*:1]
C[NH2+]Cc1ccc(S(=O)(=O)NCc2cc(C)on2)c(F)c1 Cc1cc(no1)[*:1] C[NH2+]Cc1ccc(c(F)c1)S(=O)(=O)NC[*:1]
COc1c(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)c(C(C)C)nn1C CC(C)[*:1] COc1c(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)c(nn1C)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)[*:1]
CC(C)[C@H]1CCC[C@]2(CC1)C[NH+]=C(N)N2C CC(C)[*:1] CN1C(N)=[NH+]C[C@@]12CCC[C@@H](CC2)[*:1]
CCc1cc2cc(OC)ccc2nc1SCC(=O)NNC(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCc1cc2cc(ccc2nc1SCC(=O)NNC(=O)[*:1])OC
Cc1cscc1[C@H](O)c1cc2c(cc1Cl)NC(=O)C2 Cc1cscc1[*:1] O=C1Cc2cc(c(Cl)cc2N1)[C@@H](O)[*:1]
C[C@@H](NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)NC[C@@H](O)C[*:1])c1ccccc1
C[C@@H](NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NC[C@@H](O)Cc1ccccc1)C(=O)N[*:1]
C[C@@H](NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)C(=O)NC[C@@H](O)[*:1])c1ccccc1
C[C@@H](NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1)[*:1]
Cc1csc([C@@H](NC(=O)N2CCS[C@@H](C(C)C)C2)C2CC2)n1 CC(C)[*:1] Cc1csc(n1)[C@@H](NC(=O)N1CCS[C@@H](C1)[*:1])C1CC1
Cc1csc([C@@H](NC(=O)N2CCS[C@@H](C(C)C)C2)C2CC2)n1 Cc1csc(n1)[*:1] CC(C)[C@H]1CN(CCS1)C(=O)N[C@@H](C1CC1)[*:1]
Cc1csc([C@@H](NC(=O)N2CCS[C@@H](C(C)C)C2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)N1CCS[C@H](C1)C(C)C)[*:1]
C[C@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@@H](C)O1 c1coc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CCNC(=O)[*:1]
C#Cc1cccc(N(CC(=O)N[C@H](C)c2ccco2)C(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(CC(=O)N[C@H](C)c1ccco1)[*:1]
C#Cc1cccc(N(CC(=O)N[C@H](C)c2ccco2)C(C)C)c1 C[C@H](c1ccco1)[*:1] C#Cc1cccc(c1)N(CC(=O)N[*:1])C(C)C
C#Cc1cccc(N(CC(=O)N[C@H](C)c2ccco2)C(C)C)c1 c1coc(c1)[*:1] C#Cc1cccc(c1)N(CC(=O)N[C@H](C)[*:1])C(C)C
O=C(NCC1CCN(c2cnccn2)CC1)[C@@H]1COc2ccccc2O1 c1cnc(cn1)[*:1] O=C(NCC1CCN(CC1)[*:1])[C@@H]1COc2ccccc2O1
CC[C@H](C)NS(=O)(=O)c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 CC[C@H](C)NS(=O)(=O)[*:1] CC1(C)CC(=O)C(=CNc2ccc(cc2)[*:1])C(=O)C1
CC[C@H](C)NS(=O)(=O)c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 CC[C@H](C)[*:1] CC1(C)CC(=O)C(=CNc2ccc(cc2)S(=O)(=O)N[*:1])C(=O)C1
COC(=O)c1n[nH]c2ccc(NC(=O)c3cnn(-c4ccccc4C)c3)cc12 COC(=O)[*:1] Cc1ccccc1-n1cc(cn1)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)c3cnn(-c4ccccc4C)c3)cc12 Cc1ccccc1[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)c1cnn(c1)[*:1]
CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3cccs3)C2=O)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)N1C(=O)C[C@H]([NH2+]CC[*:1])C1=O
CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3cccs3)C2=O)cc1 c1csc(c1)CC[*:1] CCOc1ccc(cc1)N1C(=O)C[C@H]([NH2+][*:1])C1=O
CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3cccs3)C2=O)cc1 c1csc(c1)C[*:1] CCOc1ccc(cc1)N1C(=O)C[C@H]([NH2+]C[*:1])C1=O
CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3cccs3)C2=O)cc1 CCO[*:1] O=C1C[C@H]([NH2+]CCc2cccs2)C(=O)N1c1ccc(cc1)[*:1]
CC/[NH+]=C(/NCC1([O-])CCC1)N1CCN(c2ccccc2OC)CC1 COc1ccccc1[*:1] CC/[NH+]=C(/NCC1([O-])CCC1)N1CCN(CC1)[*:1]
COc1ccc(OCn2ccc(C(=O)Nc3cnn(C)c3C)n2)cc1 COc1ccc(cc1)[*:1] Cc1c(cnn1C)NC(=O)c1ccn(CO[*:1])n1
COc1ccc(OCn2ccc(C(=O)Nc3cnn(C)c3C)n2)cc1 Cc1c(cnn1C)[*:1] COc1ccc(cc1)OCn1ccc(n1)C(=O)N[*:1]
CC(C)(C)n1cc(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cn1 CC(C)(C)[*:1] NC(=O)[C@H]1CC[C@@H](CNC(=O)Nc2cnn(c2)[*:1])O1
CC(C)(C)n1cc(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cn1 NC(=O)[*:1] CC(C)(C)n1cc(cn1)NC(=O)NC[C@@H]1CC[C@H](O1)[*:1]
CCn1c(=O)c(C(=O)CSc2nc3ccccc3s2)c(N)n(Cc2ccccc2)c1=O c1ccc2sc(nc2c1)S[*:1] CCn1c(=O)c(C(=O)C[*:1])c(N)n(Cc2ccccc2)c1=O
CCn1c(=O)c(C(=O)CSc2nc3ccccc3s2)c(N)n(Cc2ccccc2)c1=O c1ccc2sc(nc2c1)[*:1] CCn1c(=O)c(C(=O)CS[*:1])c(N)n(Cc2ccccc2)c1=O
CCn1c(=O)c(C(=O)CSc2nc3ccccc3s2)c(N)n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] CCn1c(=O)c(C(=O)CSc2nc3ccccc3s2)c(N)n(C[*:1])c1=O
CCn1c(=O)c(C(=O)CSc2nc3ccccc3s2)c(N)n(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] CCn1c(=O)c(C(=O)CSc2nc3ccccc3s2)c(N)n(c1=O)[*:1]
Cc1nc(C)n(C[C@H](O)COCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc(C)n(C[C@H](O)COC[*:1])n1
CCOC(=O)c1ccc(N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)nc1 CCOC(=O)[*:1] C[C@H]1C[C@@H](Nc2ccc(cn2)[*:1])C(=O)N1c1ccccc1
CCOC(=O)c1ccc(N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)nc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(nc1)N[C@@H]1C[C@H](C)N(C1=O)[*:1]
O=C([O-])c1cc(OCc2ccc(Br)cc2F)cs1 O=C([O-])[*:1] Fc1cc(Br)ccc1COc1csc(c1)[*:1]
COCC[C@H](OC)n1nnc2ccccc21 COC[*:1] CO[C@@H](C[*:1])n1nnc2ccccc21
COCC[C@H](OC)n1nnc2ccccc21 COCC[*:1] CO[C@H](n1nnc2ccccc21)[*:1]
CCCCCC(C)(C)CNC(=O)c1cn[nH]c1 CCCC[*:1] CC(C)(CNC(=O)c1cn[nH]c1)C[*:1]
CCCCCC(C)(C)CNC(=O)c1cn[nH]c1 c1n[nH]cc1[*:1] CCCCCC(C)(C)CNC(=O)[*:1]
CCCCCC(C)(C)CNC(=O)c1cn[nH]c1 CCC[*:1] CC(C)(CC[*:1])CNC(=O)c1cn[nH]c1
CCCCCC(C)(C)CNC(=O)c1cn[nH]c1 CCCCC[*:1] CC(C)(CNC(=O)c1cn[nH]c1)[*:1]
Cc1ccc2cccc(OC(=O)c3ccccc3Cl)c2n1 Clc1ccccc1[*:1] Cc1ccc2cccc(OC(=O)[*:1])c2n1
COCc1ccccc1CNC(=O)NC[C@@H](O)c1ccco1 c1coc(c1)[*:1] COCc1ccccc1CNC(=O)NC[C@@H](O)[*:1]
COCc1ccccc1CNC(=O)NC[C@@H](O)c1ccco1 COC[*:1] O=C(NCc1ccccc1[*:1])NC[C@@H](O)c1ccco1
Cc1ccc(Cl)c(O[C@H](C)C(=O)NCCS(N)(=O)=O)c1 NS(=O)(=O)CC[*:1] Cc1ccc(Cl)c(c1)O[C@H](C)C(=O)N[*:1]
Cc1ccc(Cl)c(O[C@H](C)C(=O)NCCS(N)(=O)=O)c1 NS(=O)(=O)[*:1] Cc1ccc(Cl)c(c1)O[C@H](C)C(=O)NCC[*:1]
Cc1ccc(Cl)c(O[C@H](C)C(=O)NCCS(N)(=O)=O)c1 NS(=O)(=O)C[*:1] Cc1ccc(Cl)c(c1)O[C@H](C)C(=O)NC[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)CCOc1cccc(C=O)c1 O=Cc1cccc(c1)[*:1] CN(C)c1ccc(Cl)cc1NC(=O)CCO[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)CCOc1cccc(C=O)c1 CN(C)[*:1] O=Cc1cccc(c1)OCCC(=O)Nc1cc(Cl)ccc1[*:1]
C[NH+]1CCN(CC2CCN(C(=O)c3ccc(-n4ccnn4)cc3)CC2)CC1 c1cn(nn1)[*:1] C[NH+]1CCN(CC1)CC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
O=C(CCCn1ccnn1)Nc1ccc(Cl)cc1O c1cn(C[*:1])nn1 O=C(CC[*:1])Nc1ccc(Cl)cc1O
O=C(CCCn1ccnn1)Nc1ccc(Cl)cc1O c1cn(nn1)[*:1] O=C(CCC[*:1])Nc1ccc(Cl)cc1O
CC(=O)Nc1cc(NC(=O)NCC(C)(C)c2ccc(Cl)cc2)c(F)cc1F CC(=O)N[*:1] CC(C)(CNC(=O)Nc1cc(c(F)cc1F)[*:1])c1ccc(Cl)cc1
CC(=O)Nc1cc(NC(=O)NCC(C)(C)c2ccc(Cl)cc2)c(F)cc1F Clc1ccc(cc1)[*:1] CC(=O)Nc1cc(NC(=O)NCC(C)(C)[*:1])c(F)cc1F
Cn1c(CNC(=O)CCNC(=O)NCc2ccccc2)nc2ccccc21 c1ccc(cc1)C[*:1] Cn1c(CNC(=O)CCNC(=O)N[*:1])nc2ccccc21
Cn1c(CNC(=O)CCNC(=O)NCc2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] Cn1c(CNC(=O)CCNC(=O)NC[*:1])nc2ccccc21
CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1O CC(C)[*:1] O=C(Nc1ccccc1O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[*:1]
CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1O Oc1ccccc1[*:1] CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[*:1]
CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(OCC)c1 Fc1ccc(cc1)C[*:1] CCOc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])c(c1)OCC
CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(OCC)c1 Fc1ccc(cc1)[*:1] CCOc1ccc(/C=C2\SC(=O)N(C[*:1])C2=O)c(c1)OCC
CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(OCC)c1 CCO[*:1] CCOc1cc(ccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O)[*:1]
CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(OCC)c1 CCO[*:1] CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(c1)[*:1]
CC(=O)c1ccnc(N2CCO[C@H](C#N)C2)c1 CC(=O)[*:1] N#C[C@@H]1CN(CCO1)c1cc(ccn1)[*:1]
Cc1noc(C)c1CNc1ccc(Cl)c(C(=O)[O-])n1 O=C([O-])[*:1] Cc1noc(C)c1CNc1ccc(Cl)c(n1)[*:1]
O=C(COc1ccccc1Br)Nc1ccc(C(=O)[O-])c(O)c1 Brc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc(C(=O)[O-])c(O)c1
O=C(COc1ccccc1Br)Nc1ccc(C(=O)[O-])c(O)c1 O=C([O-])[*:1] O=C(COc1ccccc1Br)Nc1ccc(c(O)c1)[*:1]
CN(N)c1ccc(C#N)c(Br)c1 CN(N)[*:1] N#Cc1ccc(cc1Br)[*:1]
COCCN1CC2(CCC1=O)CC[NH+](Cc1cnn(C(C)C)c1)CC2 CC(C)n1cc(cn1)[*:1] COCCN1CC2(CCC1=O)CC[NH+](CC2)C[*:1]
COCCN1CC2(CCC1=O)CC[NH+](Cc1cnn(C(C)C)c1)CC2 COCC[*:1] CC(C)n1cc(cn1)C[NH+]1CCC2(CCC(=O)N(C2)[*:1])CC1
COCCN1CC2(CCC1=O)CC[NH+](Cc1cnn(C(C)C)c1)CC2 COC[*:1] CC(C)n1cc(cn1)C[NH+]1CCC2(CCC(=O)N(C2)C[*:1])CC1
COCCN1CC2(CCC1=O)CC[NH+](Cc1cnn(C(C)C)c1)CC2 CC(C)[*:1] COCCN1CC2(CCC1=O)CC[NH+](CC2)Cc1cnn(c1)[*:1]
CC/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] CC/C(=N\NC(=O)[C@@H]1C[C@H]1[*:1])c1cccc(Cl)c1
CC/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCC(=NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)[*:1]
Cc1cc(N(C)C)cc(C)c1NC(=O)CCn1cnc2ccccc21 CN(C)[*:1] Cc1cc(cc(C)c1NC(=O)CCn1cnc2ccccc21)[*:1]
Cc1cc2n(C[C@@H](O)COc3ccccc3C(C)C)c(=O)c3ccccc3n2n1 CC(C)c1ccccc1[*:1] Cc1cc2n(C[C@@H](O)CO[*:1])c(=O)c3ccccc3n2n1
Cc1cc2n(C[C@@H](O)COc3ccccc3C(C)C)c(=O)c3ccccc3n2n1 CC(C)[*:1] Cc1cc2n(C[C@@H](O)COc3ccccc3[*:1])c(=O)c3ccccc3n2n1
C[C@H]1CN(Cc2csc(NC(=O)c3cnccn3)n2)C[C@H](C)O1 c1cnc(cn1)[*:1] C[C@H]1CN(Cc2csc(n2)NC(=O)[*:1])C[C@H](C)O1
CC[NH2+]Cc1c(C)nn(Cc2nc(C(C)(C)C)cs2)c1C CC(C)(C)[*:1] CC[NH2+]Cc1c(C)nn(Cc2nc(cs2)[*:1])c1C
CCCc1c(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnn1-c1nonc1N CCC[*:1] Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1[*:1]
CCCc1c(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnn1-c1nonc1N Clc1ccc(cc1Cl)[*:1] CCCc1c(nnn1-c1nonc1N)C(=O)NN=C[*:1]
CCCc1c(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnn1-c1nonc1N Nc1nonc1[*:1] CCCc1c(nnn1[*:1])C(=O)N/N=C/c1ccc(Cl)c(Cl)c1
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccnc1OCCOC COC[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccnc1OC[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccnc1OCCOC CCC[*:1] COCCOc1ncccc1C(=O)N1CCC[C@H](C)[C@H]1[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccnc1OCCOC COCCO[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccnc1[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccnc1OCCOC COCC[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccnc1O[*:1]
Cc1ccc(-n2ncc(C(=O)NCc3ccc4c(c3)OCO4)c2-n2cccc2)cc1Cl c1cc2OCOc2cc1C[*:1] Cc1ccc(cc1Cl)-n1ncc(C(=O)N[*:1])c1-n1cccc1
Cc1ccc(-n2ncc(C(=O)NCc3ccc4c(c3)OCO4)c2-n2cccc2)cc1Cl c1ccn(c1)[*:1] Cc1ccc(cc1Cl)-n1ncc(C(=O)NCc2ccc3OCOc3c2)c1[*:1]
Cc1ccc(-n2ncc(C(=O)NCc3ccc4c(c3)OCO4)c2-n2cccc2)cc1Cl c1cc2OCOc2cc1[*:1] Cc1ccc(cc1Cl)-n1ncc(C(=O)NC[*:1])c1-n1cccc1
Cc1ccc(-n2ncc(C(=O)NCc3ccc4c(c3)OCO4)c2-n2cccc2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(NCc1ccc2OCOc2c1)c1cnn(c1-n1cccc1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)/C=C/c1ccc2OCOc2c1)[*:1]
Cc1cccc(COc2cccc(NC(=O)N3CCC[C@@H]3C(N)=O)c2)c1 NC(=O)[*:1] Cc1cccc(c1)COc1cccc(c1)NC(=O)N1CCC[C@H]1[*:1]
Cc1cccc(COc2cccc(NC(=O)N3CCC[C@@H]3C(N)=O)c2)c1 Cc1cccc(c1)C[*:1] NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(c1)O[*:1]
Cc1cccc(COc2cccc(NC(=O)N3CCC[C@@H]3C(N)=O)c2)c1 Cc1cccc(c1)[*:1] NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(c1)OC[*:1]
CCc1ocnc1/C([O-])=N/S(=O)(=O)CCCF FCC[*:1] CCc1ocnc1/C([O-])=N/S(=O)(=O)C[*:1]
CCc1ocnc1/C([O-])=N/S(=O)(=O)CCCF FCCC[*:1] CCc1ocnc1/C([O-])=N/S(=O)(=O)[*:1]
COc1cccc(Nc2ccccc2C(=O)N2CCC3(CC2)OCCO3)c1 COc1cccc(c1)N[*:1] O=C(c1ccccc1[*:1])N1CCC2(CC1)OCCO2
COc1cccc(Nc2ccccc2C(=O)N2CCC3(CC2)OCCO3)c1 COc1cccc(c1)[*:1] O=C(c1ccccc1N[*:1])N1CCC2(CC1)OCCO2
Cc1cc(OCC[NH2+]Cc2cccs2)cc(C)c1Cl c1csc(c1)[*:1] Cc1cc(cc(C)c1Cl)OCC[NH2+]C[*:1]
Cc1cc(OCC[NH2+]Cc2cccs2)cc(C)c1Cl c1csc(c1)C[*:1] Cc1cc(cc(C)c1Cl)OCC[NH2+][*:1]
CC(C)(C)Oc1cc(CNC(=O)c2cccc3cn[nH]c23)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])c1cccc2cn[nH]c12
CC(C)(C)Oc1cc(CNC(=O)c2cccc3cn[nH]c23)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])c1cccc2cn[nH]c12
[NH3+]C[C@@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] [NH3+]C[C@@H](S(=O)(=O)c1ccc(F)cc1)[*:1]
CCOC(=O)C1CCN(C(=O)[C@H](C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)CC1 FC(F)(F)[*:1] CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)n1nnc(n1)-c1cccc(c1)[*:1]
CCOC(=O)C1CCN(C(=O)[C@H](C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)CC1 CCOC(=O)[*:1] C[C@@H](C(=O)N1CCC(CC1)[*:1])n1nnc(n1)-c1cccc(c1)C(F)(F)F
CCOC(=O)C1CCN(C(=O)[C@H](C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)CC1 FC(F)(F)c1cccc(c1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)n1nnc(n1)[*:1]
CCN(CN1C(=O)C(=O)N(CC(C)C)C1=O)[C@@H](C)C(C)C CC(C)[*:1] CCN(CN1C(=O)C(=O)N(C[*:1])C1=O)[C@@H](C)C(C)C
CCN(CN1C(=O)C(=O)N(CC(C)C)C1=O)[C@@H](C)C(C)C CC(C)[*:1] CCN(CN1C(=O)C(=O)N(CC(C)C)C1=O)[C@@H](C)[*:1]
CCN(CN1C(=O)C(=O)N(CC(C)C)C1=O)[C@@H](C)C(C)C CC(C)C[*:1] CCN(CN1C(=O)C(=O)N(C1=O)[*:1])[C@@H](C)C(C)C
CCN(CN1C(=O)C(=O)N(CC(C)C)C1=O)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCN(CN1C(=O)C(=O)N(CC(C)C)C1=O)[*:1]
Cc1ccc(NC(=O)c2ccc(C(C)C)[nH]c2=O)cc1S(=O)(=O)N1CCOCC1 CC(C)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)NC(=O)c1ccc([nH]c1=O)[*:1]
Cc1ccc(NC(=O)c2ccc(C(C)C)[nH]c2=O)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccc([nH]c1=O)C(C)C
Cc1noc(C)c1[C@H](C)CC(=O)NC1(C)Cc2ccccc2C1 Cc1noc(C)c1[*:1] C[C@H](CC(=O)NC1(C)Cc2ccccc2C1)[*:1]
CCCCCC(C)(C)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 CCCCC[*:1] CC(C)(C(=O)Nc1cccc(c1)[C@]1(C)NC(=O)NC1=O)[*:1]
CCCCCC(C)(C)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 CCCCCC(C)(C)[*:1] C[C@]1(NC(=O)NC1=O)c1cccc(c1)NC(=O)[*:1]
CCCCCC(C)(C)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 CCCC[*:1] CC(C)(C[*:1])C(=O)Nc1cccc(c1)[C@]1(C)NC(=O)NC1=O
CCCCCC(C)(C)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 CCC[*:1] CC(C)(CC[*:1])C(=O)Nc1cccc(c1)[C@]1(C)NC(=O)NC1=O
COc1ccc(NC(=O)[C@@H]2C=CCN2C(=O)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)NC(=O)[C@@H]1C=CCN1C(=O)[*:1]
C[C@@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)[*:1]
CN(CCc1ccccn1)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)c1cc2cc(ccc2n1C)C(F)(F)F
CN(CCc1ccccn1)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)c1cc2cc(ccc2n1C)C(F)(F)F
CN(CCc1ccccn1)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C c1ccc(CC[*:1])nc1 CN(C(=O)c1cc2cc(ccc2n1C)C(F)(F)F)[*:1]
CN(CCc1ccccn1)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C FC(F)(F)[*:1] CN(CCc1ccccn1)C(=O)c1cc2cc(ccc2n1C)[*:1]
CC(C)Cc1cc(C(=O)N2CCC[C@H](c3ncncc3-c3ccncc3)C2)no1 CC(C)Cc1cc(no1)[*:1] O=C(N1CCC[C@@H](C1)c1ncncc1-c1ccncc1)[*:1]
CC(C)Cc1cc(C(=O)N2CCC[C@H](c3ncncc3-c3ccncc3)C2)no1 c1cc(ccn1)[*:1] CC(C)Cc1cc(no1)C(=O)N1CCC[C@@H](C1)c1ncncc1[*:1]
CC(C)Cc1cc(C(=O)N2CCC[C@H](c3ncncc3-c3ccncc3)C2)no1 CC(C)C[*:1] O=C(c1cc(on1)[*:1])N1CCC[C@@H](C1)c1ncncc1-c1ccncc1
CC(C)Cc1cc(C(=O)N2CCC[C@H](c3ncncc3-c3ccncc3)C2)no1 CC(C)[*:1] O=C(c1cc(C[*:1])on1)N1CCC[C@@H](C1)c1ncncc1-c1ccncc1
COC(=O)c1cccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 O=[N+]([O-])[*:1] COC(=O)c1cccc(c1)C(=O)N1CCCc2ccc(cc21)[*:1]
COC(=O)c1cccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1 COC(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCCc2ccc(cc21)[N+](=O)[O-]
Cc1ccc(C(N)=O)c(-c2cc3ccccc3o2)n1 NC(=O)[*:1] Cc1ccc(c(n1)-c1cc2ccccc2o1)[*:1]
O=C(Nc1cc(F)cc(F)c1)c1ccoc1 c1cc(co1)[*:1] O=C(Nc1cc(F)cc(F)c1)[*:1]
CCSc1ccccc1C(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CCSc1ccccc1C(=O)N1CC[C@@H](C1)[*:1]
CCSc1ccccc1C(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 CCS[*:1] COc1ccc(cc1)[C@@H]1CCN(C1)C(=O)c1ccccc1[*:1]
O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1cccc(-c2nnn[n-]2)c1 Fc1ccc(cc1)[*:1] O=C(Cc1csc(C[*:1])n1)Nc1cccc(c1)-c1nnn[n-]1
O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1cccc(-c2nnn[n-]2)c1 Fc1ccc(cc1)C[*:1] O=C(Cc1csc(n1)[*:1])Nc1cccc(c1)-c1nnn[n-]1
Cc1ccc2c(c1)CCN2C(=O)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] Cc1ccc2c(c1)CCN2C(=O)[C@H]1CN(CCO1)[*:1]
Cc1ccc2c(c1)CCN2C(=O)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] Cc1ccc2c(c1)CCN2C(=O)[C@H]1CN(CCO1)C[*:1]
C[NH+](Cc1ccc2nsnc2c1)Cc1ccccc1C(=O)[O-] O=C([O-])[*:1] C[NH+](Cc1ccc2nsnc2c1)Cc1ccccc1[*:1]
COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)NCc3ccccn3)cc2)c1 O=C(NCc1ccccn1)[*:1] COc1cccc(c1)C(=O)/N=c1\sc(C)c(C)n1Cc1ccc(cc1)[*:1]
COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)NCc3ccccn3)cc2)c1 COc1cccc(c1)[*:1] Cc1s/c(=N\C(=O)[*:1])n(Cc2ccc(cc2)C(=O)NCc2ccccn2)c1C
COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)NCc3ccccn3)cc2)c1 c1ccc(C[*:1])nc1 COc1cccc(c1)C(=O)/N=c1\sc(C)c(C)n1Cc1ccc(cc1)C(=O)N[*:1]
COc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)NCc3ccccn3)cc2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)C(=O)/N=c1\sc(C)c(C)n1Cc1ccc(cc1)C(=O)NC[*:1]
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F NC(=O)[*:1] C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(cc1F)[*:1]
CCN1CCN(CC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)C(=O)C1=O CC(C)(C)[*:1] CCN1CCN(CC(=O)N[C@H](C#N)c2ccc(cc2)[*:1])C(=O)C1=O
CNC(=O)c1nnn(-c2nc(-c3ccccc3)cs2)c1C c1ccc(cc1)[*:1] CNC(=O)c1nnn(-c2nc(cs2)[*:1])c1C
CNC(=O)c1nnn(-c2nc(-c3ccccc3)cs2)c1C CNC(=O)[*:1] Cc1c(nnn1-c1nc(cs1)-c1ccccc1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)cc1 CC(=O)N[*:1] Cc1nc(sc1C(=O)Nc1ccc(cc1)[*:1])C(C)(C)c1ccccc1
CC(=O)Nc1ccc(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1sc(nc1C)C(C)(C)[*:1]
CC(=O)Nc1ccc(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)cc1 CC(C)(c1ccccc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1sc(nc1C)[*:1]
Cc1nnc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)o1 Cc1nnc(C[*:1])o1 NC(=O)c1cc(n[nH]1)[C@@H]1CCCN(C1)[*:1]
Cc1nnc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)o1 NC(=O)[*:1] Cc1nnc(CN2CCC[C@H](C2)c2cc([nH]n2)[*:1])o1
Cc1nnc(CN2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)o1 Cc1nnc(o1)[*:1] NC(=O)c1cc(n[nH]1)[C@@H]1CCCN(C1)C[*:1]
Cc1ccc2ncc(C(=O)Nc3ccc(F)cc3)c(=O)n2c1 Fc1ccc(cc1)[*:1] Cc1ccc2ncc(C(=O)N[*:1])c(=O)n2c1
COCCn1cc(C(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)c2ccccc2c1=O CC(C)[*:1] COCCn1cc(C(=O)Nc2ccc3ncn(c(=O)c3c2)[*:1])c2ccccc2c1=O
COCCn1cc(C(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)c2ccccc2c1=O COCC[*:1] CC(C)n1cnc2ccc(cc2c1=O)NC(=O)c1cn(c(=O)c2ccccc12)[*:1]
COCCn1cc(C(=O)Nc2ccc3ncn(C(C)C)c(=O)c3c2)c2ccccc2c1=O COC[*:1] CC(C)n1cnc2ccc(cc2c1=O)NC(=O)c1cn(C[*:1])c(=O)c2ccccc12
COC[C@H](O)CN(C)C(=O)c1cscc1C COC[C@H](O)[*:1] Cc1cscc1C(=O)N(C)C[*:1]
COC[C@H](O)CN(C)C(=O)c1cscc1C COC[*:1] Cc1cscc1C(=O)N(C)C[C@@H](O)[*:1]
COCCNC(=O)c1ccccc1NC(=O)C[C@@H]1C=CCC1 COCCNC(=O)[*:1] O=C(C[C@@H]1C=CCC1)Nc1ccccc1[*:1]
COCCNC(=O)c1ccccc1NC(=O)C[C@@H]1C=CCC1 COC[*:1] O=C(C[C@@H]1C=CCC1)Nc1ccccc1C(=O)NC[*:1]
COCCNC(=O)c1ccccc1NC(=O)C[C@@H]1C=CCC1 COCC[*:1] O=C(C[C@@H]1C=CCC1)Nc1ccccc1C(=O)N[*:1]
CCn1cc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c(C(C)C)n1 CC(C)[*:1] CCn1cc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c(n1)[*:1]
COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 CN(C)S(=O)(=O)[*:1] COc1cccc(c1)NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(cc1)[*:1]
COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 COc1cccc(c1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1c(oc2ccccc12)C(=O)N[*:1]
COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 COc1cccc(c1)NC(=O)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1c(oc2ccccc12)[*:1]
CC(C)c1nnc(CCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)o1 CC(C)[*:1] C[C@@H](NC(=O)CCc1nnc(o1)[*:1])c1ccc(cc1)-c1ccccc1
CC(C)c1nnc(CCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)o1 c1ccc(cc1)[*:1] CC(C)c1nnc(CCC(=O)N[C@H](C)c2ccc(cc2)[*:1])o1
CC(C)c1nnc(CCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)o1 CC(C)c1nnc(C[*:1])o1 C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccccc1
CC(C)c1nnc(CCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)o1 CC(C)c1nnc(o1)[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc(cc1)-c1ccccc1
C[NH+](C)CCOc1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] C[NH+](C)CCOc1cccc(c1)O[*:1]
C[C@H](Sc1ccccn1)C(=O)NNc1cccc(Cl)c1 c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)NNc1cccc(Cl)c1
Cc1ccc(NC(=O)c2cccnc2OCC(F)F)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cccnc1OCC(F)F
Cc1ccc(NC(=O)c2cccnc2OCC(F)F)cc1C(=O)N(C)C FC(F)C[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)c1cccnc1O[*:1]
Cc1ccc(NC(=O)c2cccnc2OCC(F)F)cc1C(=O)N(C)C FC(F)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)c1cccnc1OC[*:1]
Cc1ccc(NC(=O)c2cccnc2OCC(F)F)cc1C(=O)N(C)C FC(F)CO[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)c1cccnc1[*:1]
COC(=O)c1ccc(C)c(NC(=O)c2sccc2-c2ccccc2)c1 c1ccc(cc1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)c1sccc1[*:1]
COC(=O)c1ccc(C)c(NC(=O)c2sccc2-c2ccccc2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)c1sccc1-c1ccccc1)[*:1]
CNC(=O)c1ccc(S(=O)(=O)N2CCC(C3OCCO3)CC2)cc1 C1COC(O1)[*:1] CNC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
CNC(=O)c1ccc(S(=O)(=O)N2CCC(C3OCCO3)CC2)cc1 CNC(=O)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC(CC1)C1OCCO1
CC[C@@H](CO)N(CCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CO)N(CCN1C(=O)NC2(CCCC2)C1=O)[*:1]
CC1(C)CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2F)c2ccccc21 Fc1ccc(c(F)c1F)[*:1] CC1(C)CC[C@@H](NC(=O)C(=O)N[*:1])c2ccccc21
Cc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)sc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)sc1[*:1]
Cc1sc(=O)n(CC(=O)N2C[C@H](C)NC(=O)c3ccc(F)cc32)c1C Cc1sc(=O)n(c1C)[*:1] C[C@H]1CN(C(=O)C[*:1])c2cc(F)ccc2C(=O)N1
C[C@H](Cn1cc(Br)cn1)C(=O)Nc1cc(-c2ccccc2)n[nH]1 Brc1cnn(c1)[*:1] C[C@H](C[*:1])C(=O)Nc1cc(n[nH]1)-c1ccccc1
C[C@H](Cn1cc(Br)cn1)C(=O)Nc1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] C[C@H](Cn1cc(Br)cn1)C(=O)Nc1cc(n[nH]1)[*:1]
C[C@H](Cn1cc(Br)cn1)C(=O)Nc1cc(-c2ccccc2)n[nH]1 Brc1cnn(c1)C[*:1] C[C@H](C(=O)Nc1cc(n[nH]1)-c1ccccc1)[*:1]
CCCCc1noc([C@@H]2CCCC[C@H]2[NH2+]CC)n1 CCCC[*:1] CC[NH2+][C@@H]1CCCC[C@H]1c1nc(no1)[*:1]
CCCCc1noc([C@@H]2CCCC[C@H]2[NH2+]CC)n1 CCC[*:1] CC[NH2+][C@@H]1CCCC[C@H]1c1nc(C[*:1])no1
CC(C)CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1O CC(C)C[*:1] O=S1(=O)C[C@@H](O)[C@H](C1)[NH2+]C[*:1]
CC(C)CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1O CC(C)[*:1] O=S1(=O)C[C@@H](O)[C@H](C1)[NH2+]CC[*:1]
CCc1ccc(OCC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)cc1 C1CCN(CC1)[*:1] CCc1ccc(cc1)OCC(=O)Nc1cc2c(cc1[*:1])n(C)c(=O)c(=O)n2C
CCc1ccc(OCC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)cc1 CCc1ccc(cc1)[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)NC(=O)CO[*:1])N1CCCCC1
CCc1ccc(OCC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)cc1 CCc1ccc(cc1)O[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)NC(=O)C[*:1])N1CCCCC1
CCc1ccc(OCC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)cc1 CCc1ccc(cc1)OC[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)NC(=O)[*:1])N1CCCCC1
O=C(c1c[nH]c2nccc(Cl)c12)N1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] O=C(c1c[nH]c2nccc(Cl)c12)N1CC[C@H](C1)C[*:1]
O=C(c1c[nH]c2nccc(Cl)c12)N1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] O=C(c1c[nH]c2nccc(Cl)c12)N1CC[C@@H](C1)[*:1]
Cc1ccccc1C(=O)NCC(=O)NCc1ccc2c(c1)OCCO2 Cc1ccccc1[*:1] O=C(CNC(=O)[*:1])NCc1ccc2OCCOc2c1
Cc1cc(=O)n(C)cc1NC(=O)CCC(C)(C)C CC(C)(C)CC[*:1] Cc1cc(=O)n(C)cc1NC(=O)[*:1]
Cc1cc(=O)n(C)cc1NC(=O)CCC(C)(C)C CC(C)(C)C[*:1] Cc1cc(=O)n(C)cc1NC(=O)C[*:1]
Cc1cc(=O)n(C)cc1NC(=O)CCC(C)(C)C CC(C)(C)[*:1] Cc1cc(=O)n(C)cc1NC(=O)CC[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccc(F)cc2F)C1 CS(=O)(=O)[*:1] Fc1ccc(N[C@H]2CCC[C@@H](C2)[*:1])c(F)c1
O=C(Cc1ccn[nH]1)NC[C@H]1CCCC[C@H]1C(=O)[O-] c1cc([nH]n1)[*:1] O=C(C[*:1])NC[C@H]1CCCC[C@H]1C(=O)[O-]
O=C(Cc1ccn[nH]1)NC[C@H]1CCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Cc1ccn[nH]1)NC[C@H]1CCCC[C@@H]1[*:1]
O=C(Cc1ccn[nH]1)NC[C@H]1CCCC[C@H]1C(=O)[O-] c1cc(C[*:1])[nH]n1 O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]1C)C(C)C C[C@H]1C[C@H]1[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N[*:1])C(C)C
Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]1C)C(C)C C[C@H]1C[C@H]1NC(=O)[*:1] Cc1ccccc1C(=O)N[C@@H](C(C)C)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]1C)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]1C)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]1C)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N[C@@H]1C[C@@H]1C
CC(C)(C)OC(=O)c1cccc(C(=O)Nc2[nH+]cccc2[O-])c1 CC(C)(C)[*:1] O=C(Nc1[nH+]cccc1[O-])c1cccc(c1)C(=O)O[*:1]
CC(C)(C)OC(=O)c1cccc(C(=O)Nc2[nH+]cccc2[O-])c1 CC(C)(C)OC(=O)[*:1] O=C(Nc1[nH+]cccc1[O-])c1cccc(c1)[*:1]
CC(C)n1c(CNC(=O)Cc2c[nH]c3cc(Cl)ccc23)n[nH]c1=S CC(C)[*:1] O=C(Cc1c[nH]c2cc(Cl)ccc12)NCc1n[nH]c(=S)n1[*:1]
COCCCN1C(=O)c2ccccc2N[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COCCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(c1)[*:1]
COCCCN1C(=O)c2ccccc2N[C@@H]1c1cccc([N+](=O)[O-])c1 COCCC[*:1] O=C1c2ccccc2N[C@H](c2cccc(c2)[N+](=O)[O-])N1[*:1]
COCCCN1C(=O)c2ccccc2N[C@@H]1c1cccc([N+](=O)[O-])c1 COC[*:1] O=C1c2ccccc2N[C@H](c2cccc(c2)[N+](=O)[O-])N1CC[*:1]
COCCCN1C(=O)c2ccccc2N[C@@H]1c1cccc([N+](=O)[O-])c1 COCC[*:1] O=C1c2ccccc2N[C@H](c2cccc(c2)[N+](=O)[O-])N1C[*:1]
Cc1csc(CSCC[C@H]([NH3+])C(=O)[O-])n1 O=C([O-])[*:1] Cc1csc(CSCC[C@H]([NH3+])[*:1])n1
Cc1ccn(-c2ccc(NC[C@H](C)C[C@H](C)O)nn2)n1 C[C@H](O)C[*:1] Cc1ccn(n1)-c1ccc(nn1)NC[C@H](C)[*:1]
Cc1ccn(-c2ccc(NC[C@H](C)C[C@H](C)O)nn2)n1 C[C@H](O)[*:1] Cc1ccn(n1)-c1ccc(nn1)NC[C@H](C)C[*:1]
Cc1ccn(-c2ccc(NC[C@H](C)C[C@H](C)O)nn2)n1 Cc1ccn(n1)[*:1] C[C@H](O)C[C@@H](C)CNc1ccc(nn1)[*:1]
O=C(CS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cn1-c1ccccc1)Nc1cccc(Cl)c1 O=C(Nc1cccc(Cl)c1)[*:1] O=S(=O)(C[*:1])c1nc(cn1-c1ccccc1)-c1ccc2OCOc2c1
O=C(CS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cn1-c1ccccc1)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1nc(cn1[*:1])-c1ccc2OCOc2c1)Nc1cccc(Cl)c1
O=C(CS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cn1-c1ccccc1)Nc1cccc(Cl)c1 O=C(C[*:1])Nc1cccc(Cl)c1 O=S(=O)(c1nc(cn1-c1ccccc1)-c1ccc2OCOc2c1)[*:1]
O=C(CS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cn1-c1ccccc1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CS(=O)(=O)c1nc(cn1-c1ccccc1)-c1ccc2OCOc2c1)N[*:1]
O=C(CS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cn1-c1ccccc1)Nc1cccc(Cl)c1 c1cc2OCOc2cc1[*:1] O=C(CS(=O)(=O)c1nc(cn1-c1ccccc1)[*:1])Nc1cccc(Cl)c1
COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccsc1 COc1ccccc1[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1ccsc1
COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccsc1 c1cc(cs1)[*:1] COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1[*:1]
O=C1C[C@H](c2cc(=O)[nH]c(NCCc3cnccn3)n2)CN1c1ccc(F)cc1 c1cnc(cn1)C[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1cc(=O)[nH]c(n1)NC[*:1]
O=C1C[C@H](c2cc(=O)[nH]c(NCCc3cnccn3)n2)CN1c1ccc(F)cc1 c1cnc(cn1)[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1cc(=O)[nH]c(n1)NCC[*:1]
O=C1C[C@H](c2cc(=O)[nH]c(NCCc3cnccn3)n2)CN1c1ccc(F)cc1 c1cnc(cn1)CC[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1cc(=O)[nH]c(n1)N[*:1]
O=C1C[C@H](c2cc(=O)[nH]c(NCCc3cnccn3)n2)CN1c1ccc(F)cc1 c1cnc(cn1)CCN[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1cc(=O)[nH]c(n1)[*:1]
O=C1C[C@H](c2cc(=O)[nH]c(NCCc3cnccn3)n2)CN1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](CN1[*:1])c1cc(=O)[nH]c(n1)NCCc1cnccn1
COC(=O)c1cc(C(=O)NCc2cccc([N+]3=CCCC3)c2)ccn1 COC(=O)[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)c1ccnc(c1)[*:1]
CC[C@H](C)CN1C(=O)[C@H]2CCCCN2C(=O)[C@H]1CC CC[C@H](C)C[*:1] CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1[*:1]
CC[C@H](C)CN1C(=O)[C@H]2CCCCN2C(=O)[C@H]1CC CC[C@H](C)[*:1] CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C[*:1]
C[C@H]1c2ccc(F)cc2C[C@@H](C)N1Cc1nccn1C Cn1ccnc1[*:1] C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C[*:1]
COC(=O)c1cc(NC(=O)c2c(C)oc3ncn(C)c(=O)c23)cc(C(=O)OC)c1 COC(=O)[*:1] COC(=O)c1cc(cc(c1)[*:1])NC(=O)c1c(C)oc2ncn(C)c(=O)c12
N#Cc1ccc(Cl)cc1NC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] N#Cc1ccc(Cl)cc1NC(=O)[*:1]
CC[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@@H](NS(=O)(=O)c1ccc(cc1)CC#N)[*:1]
CC[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)c1ccc(Cl)cc1 N#CC[*:1] CC[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1ccc(Cl)cc1
CCc1[nH+]ccn1CCC(=O)N1CCN(c2ccccc2C)C[C@@H]1C Cc1ccccc1[*:1] CCc1[nH+]ccn1CCC(=O)N1CCN(C[C@@H]1C)[*:1]
CC(C)c1ccc(C#N)c(SCC(=O)c2c([O-])on[n+]2C)n1 CC(C)[*:1] C[n+]1noc([O-])c1C(=O)CSc1nc(ccc1C#N)[*:1]
COc1cc(OC)cc(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1 CC(C)[*:1] COc1cc(cc(c1)C(=O)N1CCC(CC1)c1nnc(o1)[*:1])OC
COc1cc(OC)cc(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c1 CC(C)c1nnc(o1)[*:1] COc1cc(cc(c1)C(=O)N1CCC(CC1)[*:1])OC
O=C(CCn1cccn1)N1CCSCC1 c1cnn(c1)[*:1] O=C(CC[*:1])N1CCSCC1
O=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(Cc1ccc(cc1)-n1cnnn1)NC[*:1]
O=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc(F)c(Cl)c1 c1nnnn1[*:1] O=C(Cc1ccc(cc1)[*:1])NCc1ccc(F)c(Cl)c1
CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCC(C)(C)c2ccccc2)c1 c1ccc(cc1)[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)C(=O)NCC(C)(C)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCC(C)(C)c2ccccc2)c1 CCNC(=O)[*:1] Cc1ccc(cc1NC(=O)C(=O)NCC(C)(C)c1ccccc1)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCC(C)(C)c2ccccc2)c1 CC(C)(c1ccccc1)[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)C(=O)NC[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ncc(C)cc2[N+](=O)[O-])C1 CCC[C@@H](C)NC(=O)[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N1CCC[C@H](C1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ncc(C)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)c1ncc(C)cc1[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ncc(C)cc2[N+](=O)[O-])C1 CCC[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ncc(C)cc2[N+](=O)[O-])C1 CCC[C@@H](C)[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N1CCC[C@H](C1)C(=O)N[*:1]
Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1ccc(-n2ccnc2)cc1 Cc1noc(C)c1[*:1] C[C@H](NC[C@@H](C)[*:1])c1ccc(cc1)-n1ccnc1
Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1ccc(cc1)[*:1]
OCc1ccc(CN2Cc3ccccc3C[C@H]2c2ccccc2)o1 c1ccc(cc1)[*:1] OCc1ccc(CN2Cc3ccccc3C[C@@H]2[*:1])o1
OCc1ccc(CN2Cc3ccccc3C[C@H]2c2ccccc2)o1 OCc1ccc(C[*:1])o1 c1ccc(cc1)[C@@H]1Cc2ccccc2CN1[*:1]
OCc1ccc(CN2Cc3ccccc3C[C@H]2c2ccccc2)o1 OCc1ccc(o1)[*:1] c1ccc(cc1)[C@@H]1Cc2ccccc2CN1C[*:1]
COC(=O)c1cccc(Oc2cc(-n3ccnc3)ncn2)c1 c1cn(cn1)[*:1] COC(=O)c1cccc(c1)Oc1cc(ncn1)[*:1]
COC(=O)c1cccc(Oc2cc(-n3ccnc3)ncn2)c1 COC(=O)[*:1] c1cc(cc(c1)[*:1])Oc1cc(ncn1)-n1ccnc1
COC(=O)c1cccc2[nH]nc(N)c12 COC(=O)[*:1] Nc1n[nH]c2cccc(c12)[*:1]
C[C@@H](Sc1nccn1C)C(=O)c1ccc2c(c1)CCC2 Cn1ccnc1[*:1] C[C@@H](S[*:1])C(=O)c1ccc2CCCc2c1
Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@@](C)(O)c1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1ccc(cc1NC(=O)NC[C@@](C)(O)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@@](C)(O)c1cnn(C)c1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)NC[C@@](C)(O)c1cnn(C)c1)[*:1]
O=C(COc1cc(Cl)c(Cl)cc1Cl)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(COc1cc(Cl)c(Cl)cc1Cl)N[*:1]
O=C(COc1cc(Cl)c(Cl)cc1Cl)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[*:1]
COC[C@H](C)[NH2+][C@H](C)[C@H](O)c1ccc(F)c(F)c1 COC[*:1] C[C@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)c(F)c1)[*:1]
CC(C)CN1C(=O)C(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O CC(C)[*:1] O=C1C(=O)N(C[*:1])C(=O)N1CN1CCN(CC1)Cc1cccs1
CC(C)CN1C(=O)C(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O c1csc(c1)[*:1] CC(C)CN1C(=O)C(=O)N(CN2CCN(CC2)C[*:1])C1=O
CC(C)CN1C(=O)C(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O c1csc(c1)C[*:1] CC(C)CN1C(=O)C(=O)N(CN2CCN(CC2)[*:1])C1=O
CC(C)CN1C(=O)C(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O CC(C)C[*:1] O=C1C(=O)N(C(=O)N1CN1CCN(CC1)Cc1cccs1)[*:1]
CN(Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(Cc1ccc(Cl)c(c1)C(F)(F)F)[C@@H]1CCC[C@H]1[*:1]
CN(Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[C@@H]1S(C)(=O)=O FC(F)(F)[*:1] CN(Cc1ccc(Cl)c(c1)[*:1])[C@@H]1CCC[C@@H]1S(C)(=O)=O
CC(C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)C[*:1] CC(C)NC(=O)c1cn(nc1-c1cccs1)[*:1]
CC(C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 CC(C)[*:1] O=C(N[*:1])c1cn(Cc2ccccc2)nc1-c1cccs1
CC(C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 CC(C)NC(=O)[*:1] c1ccc(cc1)Cn1cc(c(n1)-c1cccs1)[*:1]
CC(C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)[*:1] CC(C)NC(=O)c1cn(C[*:1])nc1-c1cccs1
CC(C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 c1csc(c1)[*:1] CC(C)NC(=O)c1cn(Cc2ccccc2)nc1[*:1]
CC1CCN(S(=O)(=O)c2cccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)c2)CC1 O=[N+]([O-])[*:1] CC1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1nnc(o1)-c1cccc(c1)[*:1]
CC1CCN(S(=O)(=O)c2cccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)c2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] CC1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1nnc(o1)[*:1]
CC1CCN(S(=O)(=O)c2cccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)c2)CC1 CC1CCN(CC1)S(=O)(=O)[*:1] O=[N+]([O-])c1cccc(c1)-c1nnc(o1)-c1cccc(c1)[*:1]
C/C(=N\NC(=O)COc1ccccc1C#N)c1ccc2c(c1)CCCC2 N#Cc1ccccc1[*:1] C/C(=N\NC(=O)CO[*:1])c1ccc2CCCCc2c1
COC(=O)[C@H](NC(=O)c1sccc1OC)c1ccc(Cl)c(F)c1 COc1ccsc1[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@H](NC(=O)c1sccc1OC)c1ccc(Cl)c(F)c1 COC(=O)[*:1] COc1ccsc1C(=O)N[C@H](c1ccc(Cl)c(F)c1)[*:1]
CN(C(=O)c1ccc(-c2ccccc2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
CN(C(=O)c1ccc(-c2ccccc2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)-c1ccccc1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CN(C(=O)c1ccc(-c2ccccc2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CN(C(=O)c1ccc(cc1)-c1ccccc1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCNc1ncnc(N2CCC[C@H](C(=O)OCC)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1ncnc(c1[*:1])N1CCC[C@@H](C1)C(=O)OCC
CCNc1ncnc(N2CCC[C@H](C(=O)OCC)C2)c1[N+](=O)[O-] CCOC(=O)[*:1] CCNc1ncnc(c1[N+](=O)[O-])N1CCC[C@H](C1)[*:1]
CCNc1ncnc(N2CCC[C@H](C(=O)OCC)C2)c1[N+](=O)[O-] CCN[*:1] CCOC(=O)[C@H]1CCCN(C1)c1ncnc(c1[N+](=O)[O-])[*:1]
CC(C)(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(CNC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCC1)[*:1]
CC(C)(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc(Cl)cc1 O=S(=O)(N1CCCC1)[*:1] CC(C)(CNC(=O)c1cc(ccc1Cl)[*:1])c1ccc(Cl)cc1
CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)[C@H]2C=c4cc(F)ccc4=[NH+]2)CCO3)CC1 CC(=O)N1CCN(CC1)[*:1] O=C([C@H]1C=c2cc(F)ccc2=[NH+]1)N1CCOc2ccc(cc2C1)C[*:1]
CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)[C@H]2C=c4cc(F)ccc4=[NH+]2)CCO3)CC1 CC(=O)N1CCN(CC1)C[*:1] O=C([C@H]1C=c2cc(F)ccc2=[NH+]1)N1CCOc2ccc(cc2C1)[*:1]
CCOc1ccc(S(=O)(=O)N2CC(OCc3ccccc3F)C2)cc1 CCO[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CC(C1)OCc1ccccc1F
CCOc1ccc(S(=O)(=O)N2CC(OCc3ccccc3F)C2)cc1 Fc1ccccc1[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CC(C1)OC[*:1]
CCOc1ccc(S(=O)(=O)N2CC(OCc3ccccc3F)C2)cc1 Fc1ccccc1C[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CC(C1)O[*:1]
O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)Nc1nccs1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)N1CCN(CC1)[*:1])Nc1nccs1
O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)Nc1nccs1 c1csc(n1)[*:1] O=C(Cn1nc(ccc1=O)N1CCN(CC1)c1ccccc1)N[*:1]
O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] O=c1ccc(nn1C[*:1])N1CCN(CC1)c1ccccc1
O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)Nc1nccs1 O=C(C[*:1])Nc1nccs1 O=c1ccc(nn1[*:1])N1CCN(CC1)c1ccccc1
CCOC(=O)[C@@H]1CC[C@H](CCBr)N1S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CC[C@H](CCBr)N1S(=O)(=O)[*:1]
CCOC(=O)[C@@H]1CC[C@H](CCBr)N1S(=O)(=O)c1ccc(C)cc1 BrCC[*:1] CCOC(=O)[C@@H]1CC[C@H](N1S(=O)(=O)c1ccc(C)cc1)[*:1]
CCOC(=O)[C@@H]1CC[C@H](CCBr)N1S(=O)(=O)c1ccc(C)cc1 CCOC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1[C@@H](CC[C@@H]1CCBr)[*:1]
CSc1ccc(-c2nc(C[NH+]3CCN(c4ccc(C(C)=O)cc4)CC3)c(C)o2)cc1 CC(=O)c1ccc(cc1)[*:1] CSc1ccc(cc1)-c1nc(C[NH+]2CCN(CC2)[*:1])c(C)o1
CSc1ccc(-c2nc(C[NH+]3CCN(c4ccc(C(C)=O)cc4)CC3)c(C)o2)cc1 CSc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1CC[NH+](CC1)Cc1nc(oc1C)[*:1]
CSc1ccc(-c2nc(C[NH+]3CCN(c4ccc(C(C)=O)cc4)CC3)c(C)o2)cc1 CC(=O)[*:1] CSc1ccc(cc1)-c1nc(C[NH+]2CCN(CC2)c2ccc(cc2)[*:1])c(C)o1
C1=C(c2ccccc2)[C@H]([NH+]2CCOCC2)Oc2ccccc21 c1ccc(cc1)[*:1] C1=C([C@@H](Oc2ccccc21)[NH+]1CCOCC1)[*:1]
Cc1nc(Nc2ccc(F)cc2)nc(OCC(=O)[O-])c1CCO O=C([O-])[*:1] Cc1nc(nc(OC[*:1])c1CCO)Nc1ccc(F)cc1
Cc1nc(Nc2ccc(F)cc2)nc(OCC(=O)[O-])c1CCO O=C([O-])C[*:1] Cc1nc(nc(O[*:1])c1CCO)Nc1ccc(F)cc1
Cc1nc(Nc2ccc(F)cc2)nc(OCC(=O)[O-])c1CCO Fc1ccc(cc1)[*:1] Cc1nc(nc(OCC(=O)[O-])c1CCO)N[*:1]
Cc1nc(Nc2ccc(F)cc2)nc(OCC(=O)[O-])c1CCO OCC[*:1] Cc1nc(nc(OCC(=O)[O-])c1[*:1])Nc1ccc(F)cc1
Cc1nc(Nc2ccc(F)cc2)nc(OCC(=O)[O-])c1CCO O=C([O-])CO[*:1] Cc1nc(nc(c1CCO)[*:1])Nc1ccc(F)cc1
CCNC(=O)c1ccc(NC[C@@H]2CCO[C@@H]2c2ccccc2)nc1 CCNC(=O)[*:1] c1ccc(cc1)[C@H]1OCC[C@H]1CNc1ccc(cn1)[*:1]
CCNC(=O)c1ccc(NC[C@@H]2CCO[C@@H]2c2ccccc2)nc1 c1ccc(cc1)[*:1] CCNC(=O)c1ccc(nc1)NC[C@@H]1CCO[C@H]1[*:1]
O=C1O[C@@H]2CN(c3[nH+]ccc4ccccc34)C[C@@H]2N1CCc1cccc(Cl)c1 Clc1cccc(c1)CC[*:1] O=C1O[C@@H]2CN(C[C@@H]2N1[*:1])c1[nH+]ccc2ccccc12
O=C1O[C@@H]2CN(c3[nH+]ccc4ccccc34)C[C@@H]2N1CCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1O[C@@H]2CN(C[C@@H]2N1CC[*:1])c1[nH+]ccc2ccccc12
O=C1O[C@@H]2CN(c3[nH+]ccc4ccccc34)C[C@@H]2N1CCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C1O[C@@H]2CN(C[C@@H]2N1C[*:1])c1[nH+]ccc2ccccc12
C[C@H](C(=O)N1CCC[C@H]1CC(=O)c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](C(=O)N1CCC[C@H]1CC(=O)c1ccccc1)[*:1]
C[C@H](C(=O)N1CCC[C@H]1CC(=O)c1ccccc1)c1cccc(F)c1 O=C(c1ccccc1)[*:1] C[C@H](C(=O)N1CCC[C@H]1C[*:1])c1cccc(F)c1
C[C@H](C(=O)N1CCC[C@H]1CC(=O)c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] C[C@H](C(=O)N1CCC[C@H]1CC(=O)[*:1])c1cccc(F)c1
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Cn1cnnn1 c1nnnn1[*:1] C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Cn1cnnn1 c1nnnn1C[*:1] C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Cn1cnnn1 Clc1ccc(cc1)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)Cn1cnnn1)[*:1]
COc1ccccc1[C@@H](NC(=O)[C@H](C)Cc1cccs1)c1ccccn1 c1csc(c1)[*:1] COc1ccccc1[C@@H](NC(=O)[C@H](C)C[*:1])c1ccccn1
COc1ccccc1[C@@H](NC(=O)[C@H](C)Cc1cccs1)c1ccccn1 COc1ccccc1[*:1] C[C@H](Cc1cccs1)C(=O)N[C@@H](c1ccccn1)[*:1]
COc1ccccc1[C@@H](NC(=O)[C@H](C)Cc1cccs1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)[C@H](C)Cc1cccs1)[*:1]
COc1ccccc1[C@@H](NC(=O)[C@H](C)Cc1cccs1)c1ccccn1 c1csc(c1)C[*:1] COc1ccccc1[C@@H](NC(=O)[C@H](C)[*:1])c1ccccn1
COc1cccc(CN2CCO[C@@](C)(c3cnn(C)c3)C2)c1OC Cn1cc(cn1)[*:1] COc1cccc(CN2CCO[C@@](C)(C2)[*:1])c1OC
C[C@H](CC(N)=O)[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CC(N)=O)[NH2+][C@@H]1CC(=O)N(C)[C@H]1[*:1]
C[C@H](CC(N)=O)[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 NC(=O)C[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)[*:1]
C[C@H](CC(N)=O)[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 NC(=O)[*:1] C[C@H](C[*:1])[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1
CCCNC(=O)c1cn(-c2cc(C)cc(C)c2)nn1 CCCNC(=O)[*:1] Cc1cc(C)cc(c1)-n1cc(nn1)[*:1]
CCCNC(=O)c1cn(-c2cc(C)cc(C)c2)nn1 CCC[*:1] Cc1cc(C)cc(c1)-n1cc(nn1)C(=O)N[*:1]
O=C(COc1ccc(Cl)cc1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O Clc1ccc(cc1)[*:1] O=C(CO[*:1])N[C@H]1CCN(C1=O)c1cccc(c1)OC(F)(F)F
O=C(COc1ccc(Cl)cc1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O Clc1ccc(cc1)O[*:1] O=C(C[*:1])N[C@H]1CCN(C1=O)c1cccc(c1)OC(F)(F)F
O=C(COc1ccc(Cl)cc1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O FC(F)(F)O[*:1] O=C(COc1ccc(Cl)cc1)N[C@H]1CCN(C1=O)c1cccc(c1)[*:1]
O=C(COc1ccc(Cl)cc1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O FC(F)(F)[*:1] O=C(COc1ccc(Cl)cc1)N[C@H]1CCN(C1=O)c1cccc(c1)O[*:1]
O=C(COc1ccc(Cl)cc1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O Clc1ccc(cc1)OC[*:1] O=C1[C@H](CCN1c1cccc(c1)OC(F)(F)F)NC(=O)[*:1]
CN(C)C(=O)Cn1nc(-c2cc3c(s2)CCC3)oc1=O CN(C)C(=O)[*:1] O=c1oc(nn1C[*:1])-c1cc2CCCc2s1
CN(C)C(=O)Cn1nc(-c2cc3c(s2)CCC3)oc1=O CN(C)C(=O)C[*:1] O=c1oc(nn1[*:1])-c1cc2CCCc2s1
O=C(NCc1nnc2n1CCCCC2)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(NCc1nnc2CCCCCn21)N[*:1]
C=CCNC(=O)C[NH+](C)Cc1ccco1 C=CC[*:1] C[NH+](CC(=O)N[*:1])Cc1ccco1
C=CCNC(=O)C[NH+](C)Cc1ccco1 c1coc(c1)[*:1] C=CCNC(=O)C[NH+](C)C[*:1]
C[C@H](NC(=O)CN1CSCC1=O)c1ccc(F)cc1 O=C1CSCN1[*:1] C[C@H](NC(=O)C[*:1])c1ccc(F)cc1
COc1ccc(OC)c(-c2nc(C[NH+](C)Cc3cccc4cnccc34)c(C)o2)c1 COc1ccc(OC)c(c1)[*:1] Cc1oc(nc1C[NH+](C)Cc1cccc2cnccc12)[*:1]
COc1ccc(OC)c(-c2nc(C[NH+](C)Cc3cccc4cnccc34)c(C)o2)c1 c1cc(c2ccncc2c1)[*:1] COc1ccc(OC)c(c1)-c1nc(C[NH+](C)C[*:1])c(C)o1
CCC1(CC)[C@@H](NC(=O)Cc2ccc[nH]2)[C@H](C)[C@@H]1OC c1c[nH]c(c1)C[*:1] CCC1(CC)[C@@H](NC(=O)[*:1])[C@H](C)[C@@H]1OC
CCC1(CC)[C@@H](NC(=O)Cc2ccc[nH]2)[C@H](C)[C@@H]1OC c1c[nH]c(c1)[*:1] CCC1(CC)[C@@H](NC(=O)C[*:1])[C@H](C)[C@@H]1OC
CCN(C(=O)c1cccc(C(=O)OC)n1)[C@H](C)c1ccc(F)cc1 COC(=O)[*:1] CCN(C(=O)c1cccc(n1)[*:1])[C@H](C)c1ccc(F)cc1
CCN(C(=O)c1cccc(C(=O)OC)n1)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)c1cccc(n1)C(=O)OC)[C@H](C)[*:1]
Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H](C)[S@](C)=O)CCO2 C[S@](=O)[*:1] Cc1cc(C)c2OCC[C@@H]([NH2+]C[C@H](C)[*:1])c2c1
Cc1ccn2c(=S)nc(-c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)nc2c1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccn2c(=S)nc(nc2c1)-c1ccc(Cl)c(c1)[*:1]
COc1cccc(Nc2ncnc(Nc3ccccc3Br)c2N)c1 COc1cccc(c1)[*:1] Nc1c(ncnc1N[*:1])Nc1ccccc1Br
COc1cccc(Nc2ncnc(Nc3ccccc3Br)c2N)c1 Brc1ccccc1[*:1] COc1cccc(c1)Nc1ncnc(N[*:1])c1N
COc1cccc(Nc2ncnc(Nc3ccccc3Br)c2N)c1 Brc1ccccc1N[*:1] COc1cccc(c1)Nc1ncnc(c1N)[*:1]
CC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 CC[C@@H](O)C[*:1] c1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
CC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@H](O)CN1CC[NH+](CC1)C[*:1]
CC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 CC[C@@H](O)[*:1] c1ccc(cc1)C[NH+]1CCN(CC1)C[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])Nc2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])Nc2ccccc2F)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])Nc1ccccc1F)[*:1]
Cc1noc(-c2ccc(C(=O)Nc3cc(-c4ccco4)ccc3F)cc2)n1 Cc1noc(n1)[*:1] O=C(Nc1cc(ccc1F)-c1ccco1)c1ccc(cc1)[*:1]
Cc1noc(-c2ccc(C(=O)Nc3cc(-c4ccco4)ccc3F)cc2)n1 c1coc(c1)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)Nc1cc(ccc1F)[*:1]
CC1(C)CN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CCO1 c1ccc(cc1)[*:1] CC1(C)CN(CCO1)C(=O)Cn1nc(ccc1=O)[*:1]
COc1ccc(C(=O)NC(=S)Nc2ccc(C3(C#N)CCCC3)cc2)cc1 COc1ccc(cc1)[*:1] N#CC1(CCCC1)c1ccc(cc1)NC(=S)NC(=O)[*:1]
COc1ccc(C(=O)NC(=S)Nc2ccc(C3(C#N)CCCC3)cc2)cc1 N#CC1(CCCC1)[*:1] COc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)[*:1]
C[C@@H]1CCc2c(sc3nc(CCC(=O)[C@@H](C#N)c4ccccn4)[nH]c(=O)c23)C1 c1ccc(nc1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(CCC(=O)[C@@H](C#N)[*:1])[nH]c(=O)c21
CCc1ccc([C@H](C)[NH2+][C@H](C)CCCO)cc1 OCCC[*:1] CCc1ccc(cc1)[C@H](C)[NH2+][C@H](C)[*:1]
CCc1ccc([C@H](C)[NH2+][C@H](C)CCCO)cc1 OCC[*:1] CCc1ccc(cc1)[C@H](C)[NH2+][C@H](C)C[*:1]
COc1nn(C)cc1C(=O)N1CCc2nc(NC(=O)c3ccccn3)sc2C1 O=C(N[*:1])c1ccccn1 COc1nn(C)cc1C(=O)N1CCc2nc(sc2C1)[*:1]
COc1nn(C)cc1C(=O)N1CCc2nc(NC(=O)c3ccccn3)sc2C1 c1ccc(nc1)[*:1] COc1nn(C)cc1C(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
COc1nn(C)cc1C(=O)N1CCc2nc(NC(=O)c3ccccn3)sc2C1 COc1nn(C)cc1[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])c1ccccn1
Cc1ccc(C(=O)C2CCN(Cc3cc(=O)n4c(C)csc4[nH+]3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1csc2[nH+]c(cc(=O)n12)CN1CCC(CC1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCCC[C@@H]1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C(=O)N1CCCC[C@@H]1C)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCCC[C@@H]1C c1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N1CCCC[C@@H]1C)S(=O)(=O)NC[*:1]
O=C(Nc1ccccc1)N1CCN(C(=O)c2cnc3cc(-c4ccccc4)[nH]n3c2=O)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)N1CCN(CC1)C(=O)c1cnc2cc([nH]n2c1=O)[*:1]
O=C(Nc1ccccc1)N1CCN(C(=O)c2cnc3cc(-c4ccccc4)[nH]n3c2=O)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1cnc2cc([nH]n2c1=O)-c1ccccc1
CC(C)(COC(=O)c1ccc2nncn2c1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(COC(=O)c1ccc2nncn2c1)[*:1]
C=C(C)CSc1nc2ncccn2n1 C=C(C)[*:1] c1cnc2nc(nn2c1)SC[*:1]
C=C(C)CSc1nc2ncccn2n1 C=C(C)C[*:1] c1cnc2nc(nn2c1)S[*:1]
COc1cc(Cl)ccc1-c1ncccc1C(=O)[O-] O=C([O-])[*:1] COc1cc(Cl)ccc1-c1ncccc1[*:1]
COc1cc(NC(=O)COc2ccc(Cl)cc2)cc(OC)c1OC Clc1ccc(cc1)O[*:1] COc1cc(cc(OC)c1OC)NC(=O)C[*:1]
COc1cc(NC(=O)COc2ccc(Cl)cc2)cc(OC)c1OC Clc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)CO[*:1]
C[C@H]1CCc2n[nH]c(-c3nc(-c4cn(C)cn4)no3)c2C1 Cn1cnc(c1)[*:1] C[C@H]1CCc2n[nH]c(-c3nc(no3)[*:1])c2C1
CC(C)N(C)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] CC(C)N(C)C(=O)/C=C/c1cn(nc1-c1cccnc1)[*:1]
CC(C)N(C)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 CC(C)[*:1] CN(C(=O)/C=C/c1cn(nc1-c1cccnc1)-c1ccccc1)[*:1]
CC(C)N(C)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 CC(C)N(C)C(=O)[*:1] C(=C[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
CC(C)N(C)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] CC(C)N(C)C(=O)/C=C/c1cn(nc1[*:1])-c1ccccc1
CC(C)(CC[NH3+])CCC(=O)NC[C@@]1(C)CCCO1 C[C@]1(CCCO1)[*:1] CC(C)(CC[NH3+])CCC(=O)NC[*:1]
CC(C)(CC[NH3+])CCC(=O)NC[C@@]1(C)CCCO1 CC(C)(CC[NH3+])[*:1] C[C@@]1(CCCO1)CNC(=O)CC[*:1]
CNS(=O)(=O)CC(=O)N1CC[NH+](C2CCCC2)CC1 CNS(=O)(=O)[*:1] O=C(C[*:1])N1CC[NH+](CC1)C1CCCC1
CNS(=O)(=O)CC(=O)N1CC[NH+](C2CCCC2)CC1 CNS(=O)(=O)C[*:1] O=C(N1CC[NH+](CC1)C1CCCC1)[*:1]
CNS(=O)(=O)CC(=O)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] CNS(=O)(=O)CC(=O)N1CC[NH+](CC1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)C1C[C@H](C)O[C@@H](C)C1 c1csc(c1)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N[C@H](C)[*:1]
C[C@@H](Cc1cccs1)NC(=O)C1C[C@H](C)O[C@@H](C)C1 c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)C1C[C@H](C)O[C@@H](C)C1
CC(C)c1nsc(N2CCC(O)(C(F)(F)F)CC2)n1 FC(F)(F)[*:1] CC(C)c1nsc(n1)N1CCC(O)(CC1)[*:1]
CC(C)c1nsc(N2CCC(O)(C(F)(F)F)CC2)n1 CC(C)[*:1] OC1(CCN(CC1)c1nc(ns1)[*:1])C(F)(F)F
CCOC[C@H](O)CNC(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 CCO[*:1] O=C(NC[C@@H](O)C[*:1])C1(Cc2ccccc2C1)[NH+]1CCCCC1
CCOC[C@H](O)CNC(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 CCOC[C@H](O)C[*:1] O=C(N[*:1])C1(Cc2ccccc2C1)[NH+]1CCCCC1
CCOC[C@H](O)CNC(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 CCOC[*:1] O=C(NC[C@@H](O)[*:1])C1(Cc2ccccc2C1)[NH+]1CCCCC1
CCOC[C@H](O)CNC(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 CCOC[C@H](O)[*:1] O=C(NC[*:1])C1(Cc2ccccc2C1)[NH+]1CCCCC1
COc1cccc(C(=O)/N=c2/sc3cc(S(C)(=O)=O)ccc3n2C)c1 COc1cccc(c1)[*:1] Cn1/c(=N\C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
COc1cccc(C(=O)/N=c2/sc3cc(S(C)(=O)=O)ccc3n2C)c1 CS(=O)(=O)[*:1] COc1cccc(c1)C(=O)/N=c1/sc2cc(ccc2n1C)[*:1]
O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(COc1ccc2nc3CCCn3c(=O)c2c1)N1CCC(CC1)[*:1]
O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccc2nc3CCCn3c(=O)c2c1)N1CCC(CC1)C[*:1]
CC(C)n1c(C2CCN(C(=O)c3cccc(F)c3)CC2)n[nH]c1=S CC(C)[*:1] O=C(c1cccc(F)c1)N1CCC(CC1)c1n[nH]c(=S)n1[*:1]
CC(C)n1c(C2CCN(C(=O)c3cccc(F)c3)CC2)n[nH]c1=S Fc1cccc(c1)[*:1] CC(C)n1c(n[nH]c1=S)C1CCN(CC1)C(=O)[*:1]
C[C@H](Sc1nnc(N)s1)C(=O)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] C[C@H](Sc1nnc(N)s1)C(=O)N1CCC[C@H]1[*:1]
C[C@H](Sc1nnc(N)s1)C(=O)N1CCC[C@@H]1c1cccs1 Nc1nnc(S[*:1])s1 C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[*:1]
C[C@H](Sc1nnc(N)s1)C(=O)N1CCC[C@@H]1c1cccs1 Nc1nnc(s1)[*:1] C[C@H](S[*:1])C(=O)N1CCC[C@@H]1c1cccs1
CCC[C@@H]1NC(=O)[C@@H](C)N(Cc2c(C)noc2C)C1=O CCC[*:1] Cc1noc(C)c1CN1C(=O)[C@@H](NC(=O)[C@H]1C)[*:1]
O=C(CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccccc1)Nc1ccc(C(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C(CS[C@H]1N=C2N=NC=C2C(=O)N1[*:1])Nc1ccc(cc1)C(F)(F)F
O=C(CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccccc1)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] O=C(CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccccc1)N[*:1]
O=C(CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccccc1)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccccc1)Nc1ccc(cc1)[*:1]
O=C(CC1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1)N1CCCC1 c1csc(c1)[*:1] O=C(CC1CC[NH+](CC1)Cc1cnc(s1)[*:1])N1CCCC1
O=C(CC1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] c1csc(c1)-c1ncc(C[NH+]2CCC(CC2)C[*:1])s1
O=C(CC1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 c1csc(c1)-c1ncc(C[NH+]2CCC(CC2)[*:1])s1
Cc1c(NC(=O)[C@H](C)Sc2ncnc3ccsc23)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)[C@H](C)Sc1ncnc2ccsc12
CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 O=[N+]([O-])[*:1] CCN(C(=O)NCCc1ccccc1[*:1])[C@@H](C)c1ccc(F)cc1
CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H](C)[*:1]
C[C@@H](Cc1ccco1)NC(=O)c1ccc2nsnc2c1 c1coc(c1)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc2nsnc2c1
C[C@@H](Cc1ccco1)NC(=O)c1ccc2nsnc2c1 c1coc(c1)C[*:1] C[C@@H](NC(=O)c1ccc2nsnc2c1)[*:1]
CC[C@@H](OC)C(=O)N[C@H](C)c1ccc(F)cc1F CC[C@@H](OC)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(F)cc1F
CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCCCC3)c2)C1 CC(C)[*:1] O=C(N[*:1])N1CCC[C@@H](C1)c1cccc(c1)C(=O)N1CCCCC1
CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCCCC3)c2)C1 O=C(N1CCCCC1)[*:1] CC(C)NC(=O)N1CCC[C@@H](C1)c1cccc(c1)[*:1]
CC(C)Nc1cccc(C(=O)N(C)CCc2cccs2)c1 c1csc(c1)[*:1] CC(C)Nc1cccc(c1)C(=O)N(C)CC[*:1]
CC(C)Nc1cccc(C(=O)N(C)CCc2cccs2)c1 CC(C)[*:1] CN(CCc1cccs1)C(=O)c1cccc(c1)N[*:1]
CC(C)Nc1cccc(C(=O)N(C)CCc2cccs2)c1 c1csc(c1)CC[*:1] CC(C)Nc1cccc(c1)C(=O)N(C)[*:1]
CC(C)Nc1cccc(C(=O)N(C)CCc2cccs2)c1 c1csc(c1)C[*:1] CC(C)Nc1cccc(c1)C(=O)N(C)C[*:1]
CC(C)Nc1cccc(C(=O)N(C)CCc2cccs2)c1 CC(C)N[*:1] CN(CCc1cccs1)C(=O)c1cccc(c1)[*:1]
Cc1ccccc1CCNC(=O)COc1ccc(C#N)cc1 Cc1ccccc1[*:1] N#Cc1ccc(cc1)OCC(=O)NCC[*:1]
C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H](C)O1 C1CCN(C1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)NCc1cc[nH+]c(c1)[*:1]
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)O[C@@H](C)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(=O)N1CCc2ccccc2[C@H]1CC(=O)O[C@@H](C)[*:1]
Cc1ccsc1C[NH2+][C@H](C)CCCO OCCC[*:1] Cc1ccsc1C[NH2+][C@H](C)[*:1]
Cc1ccsc1C[NH2+][C@H](C)CCCO OCC[*:1] Cc1ccsc1C[NH2+][C@H](C)C[*:1]
CCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 O=[N+]([O-])[*:1] CCC(=O)c1ccc(cc1)O[C@@H](C)C(=O)Nc1cccc(c1C)[*:1]
CCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 CCC(=O)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
CCCS(=O)(=O)N1CCCc2cc(NC(=O)/C=C/c3cccs3)ccc21 c1csc(c1)[*:1] CCCS(=O)(=O)N1CCCc2cc(ccc21)NC(=O)C=C[*:1]
CCCS(=O)(=O)N1CCCc2cc(NC(=O)/C=C/c3cccs3)ccc21 C(=C[*:1])c1cccs1 CCCS(=O)(=O)N1CCCc2cc(ccc21)NC(=O)[*:1]
CCCS(=O)(=O)N1CCCc2cc(NC(=O)/C=C/c3cccs3)ccc21 CCC[*:1] O=C(/C=C/c1cccs1)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
CCCCN(C)C(=O)[C@@H]1C=C(COc2ccc3c(c2)OCO3)N=N1 CCC[*:1] CN(C[*:1])C(=O)[C@@H]1C=C(COc2ccc3OCOc3c2)N=N1
CCCCN(C)C(=O)[C@@H]1C=C(COc2ccc3c(c2)OCO3)N=N1 CCCC[*:1] CN(C(=O)[C@@H]1C=C(COc2ccc3OCOc3c2)N=N1)[*:1]
CCCCN(C)C(=O)[C@@H]1C=C(COc2ccc3c(c2)OCO3)N=N1 CCCCN(C)C(=O)[*:1] C1=C(COc2ccc3OCOc3c2)N=N[C@@H]1[*:1]
COC[C@](C)(O)CNC(=O)C1(c2cccs2)CCCC1 c1csc(c1)[*:1] COC[C@](C)(O)CNC(=O)C1(CCCC1)[*:1]
COC[C@](C)(O)CNC(=O)C1(c2cccs2)CCCC1 COC[*:1] C[C@](O)(CNC(=O)C1(CCCC1)c1cccs1)[*:1]
COC[C@](C)(O)CNC(=O)C1(c2cccs2)CCCC1 COC[C@](C)(O)[*:1] O=C(NC[*:1])C1(CCCC1)c1cccs1
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(Br)c2)cc1OC COc1ccc(cc1OC)[*:1] Cc1noc2NC3C[C@H](CC(=O)C=3[C@H](c3cccc(Br)c3)c12)[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(Br)c2)cc1OC Brc1cccc(c1)[*:1] COc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)Nc1onc(C)c1[C@@H]2[*:1]
CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@H](C)C3)cc21 CNC(=O)C[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc2ccn(c2c1)[*:1]
CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@H](C)C3)cc21 CNC(=O)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc2ccn(C[*:1])c2c1
NC(=O)CC[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] NC(=O)C[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H](C[*:1])C(=O)[O-]
NC(=O)CC[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] NC(=O)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H](CC[*:1])C(=O)[O-]
NC(=O)CC[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] O=C([O-])[*:1] NC(=O)CC[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
NC(=O)CC[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] NC(=O)CC[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H](C(=O)[O-])[*:1]
CN(C)c1nc(NCc2noc(C3CCCC3)n2)ncc1F C1CCC(C1)[*:1] CN(C)c1nc(ncc1F)NCc1noc(n1)[*:1]
CN(C)c1nc(NCc2noc(C3CCCC3)n2)ncc1F CN(C)[*:1] Fc1cnc(nc1[*:1])NCc1noc(n1)C1CCCC1
CCCn1ccc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3F)cc21 Fc1ccccc1C[*:1] CCCn1ccc2ccc(cc21)NC(=O)C(=O)N(C)[*:1]
CCCn1ccc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3F)cc21 Fc1ccccc1[*:1] CCCn1ccc2ccc(cc21)NC(=O)C(=O)N(C)C[*:1]
CCCn1ccc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3F)cc21 CCC[*:1] CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc2ccn(c2c1)[*:1]
CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 Clc1ccccc1[*:1] CNC(=O)NC(=O)CCSc1nnc(n1C1CCCC1)[*:1]
CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 CNC(=O)NC(=O)CC[*:1] Clc1ccccc1-c1nnc(S[*:1])n1C1CCCC1
CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 CNC(=O)NC(=O)[*:1] Clc1ccccc1-c1nnc(SCC[*:1])n1C1CCCC1
CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 C1CCC(C1)[*:1] CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2Cl)n1[*:1]
CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 CNC(=O)NC(=O)C[*:1] Clc1ccccc1-c1nnc(SC[*:1])n1C1CCCC1
Nn1c(SCc2ccccn2)nnc1C(F)(F)F c1ccc(nc1)[*:1] Nn1c(nnc1C(F)(F)F)SC[*:1]
Nn1c(SCc2ccccn2)nnc1C(F)(F)F FC(F)(F)[*:1] Nn1c(nnc1[*:1])SCc1ccccn1
CN(Cc1cscn1)C(=O)COCC[NH3+] [NH3+]CC[*:1] CN(Cc1cscn1)C(=O)CO[*:1]
CN(Cc1cscn1)C(=O)COCC[NH3+] c1nc(cs1)[*:1] CN(C[*:1])C(=O)COCC[NH3+]
CN(Cc1cscn1)C(=O)COCC[NH3+] [NH3+]CCOC[*:1] CN(Cc1cscn1)C(=O)[*:1]
CN(Cc1cscn1)C(=O)COCC[NH3+] [NH3+]CCO[*:1] CN(Cc1cscn1)C(=O)C[*:1]
Cc1nc2ccc(NC(=O)Cc3ccon3)cc2o1 c1cc(no1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)C[*:1]
Cc1nc2ccc(NC(=O)Cc3ccon3)cc2o1 c1cc(C[*:1])no1 Cc1nc2ccc(cc2o1)NC(=O)[*:1]
CC(=O)N1CCC(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)CC1 c1ccc(nc1)[*:1] CC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)c1[nH+]ccn1C[*:1]
CC(=O)N1CCC(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)CC1 c1ccc(C[*:1])nc1 CC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)c1[nH+]ccn1[*:1]
CC(=O)N1CCC(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)CC1 CC(=O)N1CCC(CC1)[*:1] O=C(N1CCC(CC1)c1[nH+]ccn1Cc1ccccn1)[*:1]
O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccccc1F)C(=O)N[*:1]
O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccccc1F)C(=O)Nc1ccccc1[*:1]
O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)C(=O)Nc1ccccc1C(F)(F)F Fc1ccccc1[*:1] O=C(NCC[NH+]1CCN(CC1)[*:1])C(=O)Nc1ccccc1C(F)(F)F
CCOC(=O)N1CCN(C(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)CC1 CS(=O)(=O)c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)Cc1csc(n1)N[*:1]
CCOC(=O)N1CCN(C(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)CC1 CS(=O)(=O)[*:1] CCOC(=O)N1CCN(CC1)C(=O)Cc1csc(n1)Nc1ccc(cc1)[*:1]
CC[C@@H](CCO)CNc1cc(OC)c(F)cc1N CC[C@@H](CCO)[*:1] COc1cc(NC[*:1])c(N)cc1F
CC[C@@H](CCO)CNc1cc(OC)c(F)cc1N OCC[*:1] CC[C@@H](CNc1cc(OC)c(F)cc1N)[*:1]
COc1ccc2c(c1)CC[C@H](SC1COC1)[C@H]2[NH3+] C1OCC1S[*:1] COc1ccc2c(c1)CC[C@H]([C@H]2[NH3+])[*:1]
COc1ccc2c(c1)CC[C@H](SC1COC1)[C@H]2[NH3+] C1OCC1[*:1] COc1ccc2c(c1)CC[C@H](S[*:1])[C@H]2[NH3+]
O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(COc1ccc2nc3CCCCCn3c(=O)c2c1)Nc1ccc(cc1)[*:1]
O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(COc1ccc2nc3CCCCCn3c(=O)c2c1)Nc1ccc(cc1)O[*:1]
Cn1cc(CNC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cn1 FC(F)(F)[*:1] Cn1cc(cn1)CNC(=O)Nc1ccc(F)c(c1)[*:1]
Cn1cc(CNC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cn1 Cn1cc(cn1)C[*:1] O=C(Nc1ccc(F)c(c1)C(F)(F)F)N[*:1]
Cn1cc(CNC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cn1 Cn1cc(cn1)[*:1] O=C(NC[*:1])Nc1ccc(F)c(c1)C(F)(F)F
CC[NH+](CC)[C@](C)(CC)[C@H](N)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC[NH+](CC)[C@](C)(CC)[C@H](N)c1ccc(cc1)[*:1]
CC(C)N(Cc1[nH]cc(-c2ccc3c(c2)OCO3)[nH+]1)C(=O)c1ccc(F)cc1O Oc1cc(F)ccc1[*:1] CC(C)N(Cc1[nH]cc([nH+]1)-c1ccc2OCOc2c1)C(=O)[*:1]
CC(C)N(Cc1[nH]cc(-c2ccc3c(c2)OCO3)[nH+]1)C(=O)c1ccc(F)cc1O CC(C)[*:1] O=C(c1ccc(F)cc1O)N(Cc1[nH]cc([nH+]1)-c1ccc2OCOc2c1)[*:1]
CC(C)N(Cc1[nH]cc(-c2ccc3c(c2)OCO3)[nH+]1)C(=O)c1ccc(F)cc1O c1cc2OCOc2cc1[*:1] CC(C)N(Cc1[nH]cc([nH+]1)[*:1])C(=O)c1ccc(F)cc1O
CCCN(CCC)CN1C(=O)C(=O)c2cc(Br)ccc21 CCC[*:1] CCCN(CN1C(=O)C(=O)c2cc(Br)ccc21)[*:1]
COc1ccccc1N1CCN([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccccc1N1CCN(CC1)[C@H](C)C(=O)NCC[*:1]
COc1ccccc1N1CCN([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1 COc1ccccc1[*:1] C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1 c1ccc2c(c[nH]c2c1)C[*:1] COc1ccccc1N1CCN(CC1)[C@H](C)C(=O)NC[*:1]
C[C@H]1CCC[C@@H](OC[C@H](O)C[NH2+]C[C@]2(C)CCCO2)C1 C[C@@]1(CCCO1)[*:1] C[C@H]1CCC[C@H](C1)OC[C@H](O)C[NH2+]C[*:1]
Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)[C@H](C)Sc1ccc(cc1)[*:1])C(=O)N1C[C@@H](C)C[C@H](C)C1
Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)S[*:1])C(=O)N1C[C@@H](C)C[C@H](C)C1
Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)S[*:1] Cc1ccc(cc1NC(=O)[C@H](C)[*:1])C(=O)N1C[C@@H](C)C[C@H](C)C1
C[C@@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@](C)=O)cc1 O=C(N1CCCCC1)[*:1] C[C@@H](N[C@H](c1ccccc1)[*:1])c1ccc(cc1)[S@](C)=O
C[C@@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@](C)=O)cc1 c1ccc(cc1)[*:1] C[C@@H](N[C@H](C(=O)N1CCCCC1)[*:1])c1ccc(cc1)[S@](C)=O
C[C@@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(cc1)[*:1]
C[C@@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@](C)=O)cc1 C[S@](=O)c1ccc(cc1)[*:1] C[C@@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)[*:1]
CCN(C(=O)CSc1ccc2c(c1)OCCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CCN(C(=O)CSc1ccc2OCCCOc2c1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCN(C(=O)CSc1ccc2c(c1)OCCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CCN(C(=O)CSc1ccc2OCCCOc2c1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCN(C(=O)CSc1ccc2c(c1)OCCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1cc2OCCCOc2cc1[*:1] CCN(C(=O)CS[*:1])c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
C[C@@H](CC1CCCC1)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 C1CCC(C1)[*:1] C[C@@H](C[*:1])C(=O)Nc1ccc2O[C@@H](C)C(=O)Nc2c1
C[C@@H](CC1CCCC1)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 C1CCC(C1)C[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)[C@H](C)[*:1]
Cc1cc(-c2cccs2)nc(SCC(=O)c2ccccc2)c1C#N c1ccc(cc1)[*:1] Cc1cc(nc(SCC(=O)[*:1])c1C#N)-c1cccs1
Cc1cc(-c2cccs2)nc(SCC(=O)c2ccccc2)c1C#N O=C(c1ccccc1)[*:1] Cc1cc(nc(SC[*:1])c1C#N)-c1cccs1
Cc1cc(-c2cccs2)nc(SCC(=O)c2ccccc2)c1C#N c1csc(c1)[*:1] Cc1cc(nc(SCC(=O)c2ccccc2)c1C#N)[*:1]
CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1 CC(C)C(=O)N[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1ccc(I)cc1
CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1 CC(C)[*:1] O=C(NC(=S)Nc1ccc(cc1)NC(=O)[*:1])c1ccc(I)cc1
CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1 Ic1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=S)NC(=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)CCSc3ccccn3)CC2)cc1 CCO[*:1] O=C(CCSc1ccccn1)N1CC=C(CC1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)CCSc3ccccn3)CC2)cc1 c1ccc(nc1)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)CCS[*:1]
CCOc1ccc(C2=CCN(C(=O)CCSc3ccccn3)CC2)cc1 c1ccc(nc1)SC[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)C[*:1]
CCOc1ccc(C2=CCN(C(=O)CCSc3ccccn3)CC2)cc1 c1ccc(nc1)S[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)CC[*:1]
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1coc2ccccc2c1=O O=C(OC1CCCC1)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C([C@@H]2c1coc2ccccc2c1=O)[*:1]
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1coc2ccccc2c1=O C1CCC(C1)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)O[*:1])[C@@H]2c1coc2ccccc2c1=O
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1coc2ccccc2c1=O COC(=O)[*:1] CC1NC2C[C@H](C)[C@@H](C(=O)C=2[C@H](C=1C(=O)OC1CCCC1)c1coc2ccccc2c1=O)[*:1]
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1coc2ccccc2c1=O O=c1c(coc2ccccc12)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC1CCCC1)[C@H]2[*:1]
O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccccc1F Fc1cccc(c1)[*:1] O=C(NC1(CCOCC1)[*:1])c1ccccc1F
O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccccc1F Fc1ccccc1[*:1] O=C(NC1(CCOCC1)c1cccc(F)c1)[*:1]
CN1CC(=O)N(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O c1ccc(cc1)[*:1] CN1CC(=O)N(CC(=O)N(C[*:1])[C@H]2CCS(=O)(=O)C2)C1=O
CN1CC(=O)N(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O CN1CC(=O)N(C1=O)[*:1] O=C(C[*:1])N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1
CN1CC(=O)N(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O c1ccc(cc1)C[*:1] CN1CC(=O)N(CC(=O)N([C@H]2CCS(=O)(=O)C2)[*:1])C1=O
C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)[*:1]
C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1 CC(C)[*:1] C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(C[*:1])[C@H]1c1cccs1)c1ccccc1
C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1 CC(C)C[*:1] C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N([C@H]1c1cccs1)[*:1])c1ccccc1
C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1 c1csc(c1)[*:1] C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1[*:1])c1ccccc1
C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1 C=CC[*:1] CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N(c2ccccc2)[*:1])[C@@H]1c1cccs1
N#Cc1c(N)nc2c(c1-c1cccn1-c1ccc(Cl)cn1)COCC2 Clc1ccc(nc1)[*:1] N#Cc1c(N)nc2CCOCc2c1-c1cccn1[*:1]
[NH3+]CCN1CCCN(C(=O)Nc2ccc(F)cc2)CC1 [NH3+]CC[*:1] O=C(Nc1ccc(F)cc1)N1CCCN(CC1)[*:1]
COc1ccccc1-c1ccc(O)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1ccccc1-c1ccc(O)c(c1)[*:1]
Cc1ccc(NC(=O)NCCC(C)C)c(OCC(=O)N(C)C)c1 CN(C)C(=O)CO[*:1] Cc1ccc(NC(=O)NCCC(C)C)c(c1)[*:1]
Cc1ccc(NC(=O)NCCC(C)C)c(OCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccc(NC(=O)NCCC(C)C)c(c1)OC[*:1]
Cc1ccc(NC(=O)NCCC(C)C)c(OCC(=O)N(C)C)c1 CC(C)CC[*:1] Cc1ccc(NC(=O)N[*:1])c(c1)OCC(=O)N(C)C
Cc1ccc(NC(=O)NCCC(C)C)c(OCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] Cc1ccc(NC(=O)NCCC(C)C)c(c1)O[*:1]
Cc1ccc(NC(=O)NCCC(C)C)c(OCC(=O)N(C)C)c1 CC(C)[*:1] Cc1ccc(NC(=O)NCC[*:1])c(c1)OCC(=O)N(C)C
Cc1ccc(NC(=O)NCCC(C)C)c(OCC(=O)N(C)C)c1 CC(C)C[*:1] Cc1ccc(NC(=O)NC[*:1])c(c1)OCC(=O)N(C)C
CC(C)Cc1ccc([C@@H]2C[NH2+][C@@H](C(C)C)CO2)cc1 CC(C)[*:1] CC(C)Cc1ccc(cc1)[C@@H]1C[NH2+][C@@H](CO1)[*:1]
CC(C)Cc1ccc([C@@H]2C[NH2+][C@@H](C(C)C)CO2)cc1 CC(C)[*:1] CC(C)[C@H]1CO[C@@H](C[NH2+]1)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@@H]2C[NH2+][C@@H](C(C)C)CO2)cc1 CC(C)C[*:1] CC(C)[C@H]1CO[C@@H](C[NH2+]1)c1ccc(cc1)[*:1]
CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 Fc1ccc(cc1)[*:1] CC[C@@H](C)n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 Fc1ccc(cc1)C[*:1] CC[C@@H](C)n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
CS(=O)(=O)NCCCOc1ccc(-c2ccccc2)cc1 CS(=O)(=O)NC[*:1] c1ccc(cc1)-c1ccc(cc1)OCC[*:1]
CS(=O)(=O)NCCCOc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)NCCCOc1ccc(cc1)[*:1]
CS(=O)(=O)NCCCOc1ccc(-c2ccccc2)cc1 CS(=O)(=O)N[*:1] c1ccc(cc1)-c1ccc(cc1)OCCC[*:1]
CS(=O)(=O)NCCCOc1ccc(-c2ccccc2)cc1 CS(=O)(=O)NCC[*:1] c1ccc(cc1)-c1ccc(cc1)OC[*:1]
Nc1nnc(S[C@H](F)C(=O)[O-])s1 O=C([O-])[*:1] Nc1nnc(S[C@H](F)[*:1])s1
O=[S@](Cc1cccc(F)c1)Cc1cn2cc(Cl)cc(Cl)c2n1 Fc1cccc(c1)[*:1] O=[S@@](Cc1cn2cc(Cl)cc(Cl)c2n1)C[*:1]
CN(C)c1nc(C[NH2+]C(C)(C)C)c(-c2ccccc2)s1 CC(C)(C)[*:1] CN(C)c1nc(C[NH2+][*:1])c(s1)-c1ccccc1
CN(C)c1nc(C[NH2+]C(C)(C)C)c(-c2ccccc2)s1 CN(C)[*:1] CC(C)(C)[NH2+]Cc1nc(sc1-c1ccccc1)[*:1]
CN(C)c1nc(C[NH2+]C(C)(C)C)c(-c2ccccc2)s1 c1ccc(cc1)[*:1] CN(C)c1nc(C[NH2+]C(C)(C)C)c(s1)[*:1]
COc1ccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1 COc1ccc(cc1)[*:1] CC(C)NC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
COc1ccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1 CC(C)NC(=O)[*:1] COc1ccc(cc1)C(=O)Nc1cc(ccc1Cl)[*:1]
COc1ccc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)Nc1cc(ccc1Cl)C(=O)N[*:1]
OCC[C@H]([NH2+]C1CC1)c1ccsc1 OCC[*:1] c1cc(cs1)[C@@H]([NH2+]C1CC1)[*:1]
OCC[C@H]([NH2+]C1CC1)c1ccsc1 C1CC1[*:1] OCC[C@H]([NH2+][*:1])c1ccsc1
CCC[C@@H](C)NC(=O)NCCc1c[nH]c2cc(C)ccc12 CCC[C@@H](C)[*:1] Cc1ccc2c(c[nH]c2c1)CCNC(=O)N[*:1]
CCC[C@@H](C)NC(=O)NCCc1c[nH]c2cc(C)ccc12 CCC[*:1] Cc1ccc2c(c[nH]c2c1)CCNC(=O)N[C@H](C)[*:1]
CC(C)C(=O)N1CCN(CCS(C)(=O)=O)CC1 CS(=O)(=O)C[*:1] CC(C)C(=O)N1CCN(CC1)C[*:1]
CC(C)C(=O)N1CCN(CCS(C)(=O)=O)CC1 CS(=O)(=O)[*:1] CC(C)C(=O)N1CCN(CC1)CC[*:1]
CC(C)C(=O)N1CCN(CCS(C)(=O)=O)CC1 CC(C)[*:1] CS(=O)(=O)CCN1CCN(CC1)C(=O)[*:1]
O=C(c1cccc(F)c1F)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 Fc1cccc(c1F)[*:1] O=C(N1CCC(CC1)c1nnc(o1)-c1nccc2ccccc12)[*:1]
O=C(c1cccc(F)c1F)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 c1ccc2c(nccc2c1)[*:1] O=C(c1cccc(F)c1F)N1CCC(CC1)c1nnc(o1)[*:1]
Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2F)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H](O)c1ccc(F)cc1F)N[*:1]
CC[C@H]1C[NH2+]CC[C@H]1NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC[C@H]1C[NH2+]CC[C@H]1NC(=O)O[*:1]
CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OCC CCO[*:1] CCCOc1ccc(cc1[*:1])[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1ccccn1
CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OCC CCC[*:1] CCOc1cc(ccc1O[*:1])[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1ccccn1
CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OCC CCCO[*:1] CCOc1cc(ccc1[*:1])[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1ccccn1
CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OCC c1ccc(nc1)[*:1] CCCOc1ccc(cc1OCC)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
Cc1cc([N+](=O)[O-])cnc1N(C)Cc1ncnn1C Cn1ncnc1[*:1] Cc1cc(cnc1N(C)C[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1N(C)Cc1ncnn1C O=[N+]([O-])[*:1] Cc1cc(cnc1N(C)Cc1ncnn1C)[*:1]
Cc1cc(CN2CCN(C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)no1 Cc1cc(C[*:1])no1 C[C@H](CNC(=O)N1CCN(CC1)[*:1])C[NH+]1CCN(C)CC1
Cc1cc(CN2CCN(C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)no1 Cc1cc(no1)[*:1] C[C@H](CNC(=O)N1CCN(CC1)C[*:1])C[NH+]1CCN(C)CC1
CN(C)c1cc(N2CCC[C@H](NC(=O)NCc3ccco3)C2)ncn1 CN(C)[*:1] O=C(NCc1ccco1)N[C@H]1CCCN(C1)c1cc(ncn1)[*:1]
CN(C)c1cc(N2CCC[C@H](NC(=O)NCc3ccco3)C2)ncn1 c1coc(c1)C[*:1] CN(C)c1cc(ncn1)N1CCC[C@@H](C1)NC(=O)N[*:1]
CN(C)c1cc(N2CCC[C@H](NC(=O)NCc3ccco3)C2)ncn1 c1coc(c1)[*:1] CN(C)c1cc(ncn1)N1CCC[C@@H](C1)NC(=O)NC[*:1]
Cc1ccc2cc(CNCCc3ccccc3)c3nnnn3c2c1 c1ccc(cc1)C[*:1] Cc1ccc2cc(CNC[*:1])c3nnnn3c2c1
Cc1ccc2cc(CNCCc3ccccc3)c3nnnn3c2c1 c1ccc(cc1)[*:1] Cc1ccc2cc(CNCC[*:1])c3nnnn3c2c1
Cc1ccc2cc(CNCCc3ccccc3)c3nnnn3c2c1 c1ccc(cc1)CC[*:1] Cc1ccc2cc(CN[*:1])c3nnnn3c2c1
COc1ccc(/C=N/c2ccc(Cc3ccncc3)cc2)cc1 c1cc(ccn1)C[*:1] COc1ccc(/C=N/c2ccc(cc2)[*:1])cc1
COc1ccc(/C=N/c2ccc(Cc3ccncc3)cc2)cc1 c1cc(ccn1)[*:1] COc1ccc(/C=N/c2ccc(cc2)C[*:1])cc1
Cc1ccc(-c2nc(CNC(=O)N3CC[C@H](OCCC(C)C)C3)co2)cc1 CC(C)CC[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)N1CC[C@@H](C1)O[*:1]
Cc1ccc(-c2nc(CNC(=O)N3CC[C@H](OCCC(C)C)C3)co2)cc1 Cc1ccc(cc1)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)NCc1coc(n1)[*:1]
Cc1ccc(-c2nc(CNC(=O)N3CC[C@H](OCCC(C)C)C3)co2)cc1 CC(C)C[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)N1CC[C@@H](C1)OC[*:1]
Cc1ccc(-c2nc(CNC(=O)N3CC[C@H](OCCC(C)C)C3)co2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)N1CC[C@@H](C1)OCC[*:1]
Cc1ccc(-c2nc(CNC(=O)N3CC[C@H](OCCC(C)C)C3)co2)cc1 CC(C)CCO[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)N1CC[C@H](C1)[*:1]
CCOC(=O)Cc1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2ccccc12 CCOC(=O)[*:1] O=C(Cn1nc(C[*:1])c2ccccc2c1=O)Nc1cccc(F)c1
CCOC(=O)Cc1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2ccccc12 CCOC(=O)C[*:1] O=C(Cn1nc(c2ccccc2c1=O)[*:1])Nc1cccc(F)c1
CCOC(=O)Cc1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2ccccc12 Fc1cccc(c1)[*:1] CCOC(=O)Cc1nn(CC(=O)N[*:1])c(=O)c2ccccc12
O=C1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)NC(Nc2ccccc2)=N1 c1ccc(cc1)[*:1] O=C1C[C@@H](NC(=N1)N[*:1])C(=O)Nc1ccc2OCCOc2c1
CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 COc1ccccc1[*:1] CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(ccc21)NC(=O)[*:1]
CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 CCC[*:1] COc1ccccc1C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2[*:1]
C[C@@H](C(=O)NCCC1CCCCC1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)NCCC1CCCCC1)[*:1]
C[C@@H](C(=O)NCCC1CCCCC1)n1cncn1 C1CCC(CC1)[*:1] C[C@@H](C(=O)NCC[*:1])n1cncn1
O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 C1CCC(C1)[*:1] O=C(N[*:1])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1
O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 c1ccc(cc1)[*:1] O=C(NC1CCCC1)[C@H](C[*:1])NS(=O)(=O)c1ccc(Br)s1
O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 c1ccc(cc1)C[*:1] O=C(NC1CCCC1)[C@H](NS(=O)(=O)c1ccc(Br)s1)[*:1]
O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)[*:1]
O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 O=C(NC1CCCC1)[*:1] O=S(=O)(N[C@@H](Cc1ccccc1)[*:1])c1ccc(Br)s1
CC(C)(C)[C@@H](NC(=O)c1ncccc1C(F)(F)F)c1cccs1 FC(F)(F)[*:1] CC(C)(C)[C@@H](NC(=O)c1ncccc1[*:1])c1cccs1
CC(C)(C)[C@@H](NC(=O)c1ncccc1C(F)(F)F)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@@H](NC(=O)c1ncccc1C(F)(F)F)[*:1]
CC(C)(C)[C@@H](NC(=O)c1ncccc1C(F)(F)F)c1cccs1 CC(C)(C)[*:1] O=C(N[C@@H](c1cccs1)[*:1])c1ncccc1C(F)(F)F
Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](CC(C)C)C(=O)N3C2)c1 Cc1ccc(F)c(c1)[*:1] CC(C)C[C@H]1NC(=O)[C@@H]2C[C@@H](CN2C1=O)[NH2+]C[*:1]
Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](CC(C)C)C(=O)N3C2)c1 CC(C)[*:1] Cc1ccc(F)c(c1)C[NH2+][C@H]1C[C@H]2C(=O)N[C@H](C[*:1])C(=O)N2C1
Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](CC(C)C)C(=O)N3C2)c1 CC(C)C[*:1] Cc1ccc(F)c(c1)C[NH2+][C@H]1C[C@H]2C(=O)N[C@H](C(=O)N2C1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccccc2F)cc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[*:1])c1ccccc1F
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccccc2F)cc1 Cc1ccc(cc1)[*:1] O=C(CN(c1ccccc1F)S(=O)(=O)[*:1])NCc1ccncc1
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccccc2F)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NC[*:1])c1ccccc1F
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccncc1)[*:1]
CCc1ccc(/C=c2/sc(=C(C#N)C#N)n([C@@H](C)c3ccccc3)c2=O)cc1 C[C@@H](c1ccccc1)[*:1] CCc1ccc(/C=c2/sc(=C(C#N)C#N)n(c2=O)[*:1])cc1
CCc1ccc(/C=c2/sc(=C(C#N)C#N)n([C@@H](C)c3ccccc3)c2=O)cc1 c1ccc(cc1)[*:1] CCc1ccc(/C=c2/sc(=C(C#N)C#N)n(c2=O)[C@@H](C)[*:1])cc1
CCc1ccc(/C=c2/sc(=C(C#N)C#N)n([C@@H](C)c3ccccc3)c2=O)cc1 CCc1ccc(cc1)[*:1] C[C@@H](c1ccccc1)n1c(sc(=C[*:1])c1=O)=C(C#N)C#N
Cc1cc(=O)n2c(CCNC(=O)COc3ccccc3F)csc2[nH+]1 Fc1ccccc1O[*:1] Cc1cc(=O)n2c(csc2[nH+]1)CCNC(=O)C[*:1]
Cc1cc(=O)n2c(CCNC(=O)COc3ccccc3F)csc2[nH+]1 Fc1ccccc1[*:1] Cc1cc(=O)n2c(csc2[nH+]1)CCNC(=O)CO[*:1]
Cc1nn(C)c(C)c1OCC(=O)O[C@@H](c1ccc(F)c(F)c1)C(C)C Fc1ccc(cc1F)[*:1] Cc1nn(C)c(C)c1OCC(=O)O[C@@H](C(C)C)[*:1]
Cc1nn(C)c(C)c1OCC(=O)O[C@@H](c1ccc(F)c(F)c1)C(C)C CC(C)[*:1] Cc1nn(C)c(C)c1OCC(=O)O[C@@H](c1ccc(F)c(F)c1)[*:1]
Cc1nn(C)c(C)c1OCC(=O)O[C@@H](c1ccc(F)c(F)c1)C(C)C Cc1nn(C)c(C)c1[*:1] CC(C)[C@@H](OC(=O)CO[*:1])c1ccc(F)c(F)c1
C[C@@H](c1cccc(O)c1)N(C)C(=O)NCCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@@H](c1cccc(O)c1)N(C)C(=O)NCCc1ccc(cc1)[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)NCCc1ccc(-n2cccn2)cc1 Oc1cccc(c1)[*:1] C[C@@H](N(C)C(=O)NCCc1ccc(cc1)-n1cccn1)[*:1]
Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)Cc1ccccc1 FC(F)(F)c1cc(no1)[*:1] Cc1sc(cc1S(=O)(=O)N(C)Cc1ccccc1)[*:1]
Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)Cc1ccccc1 FC(F)(F)[*:1] Cc1sc(cc1S(=O)(=O)N(C)Cc1ccccc1)-c1cc(on1)[*:1]
Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1sc(cc1S(=O)(=O)N(C)[*:1])-c1cc(on1)C(F)(F)F
Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1sc(cc1S(=O)(=O)N(C)C[*:1])-c1cc(on1)C(F)(F)F
COc1cccc(/C=N/c2cc(NC(C)=O)c(Cl)cc2Cl)c1 CC(=O)N[*:1] COc1cccc(/C=N/c2cc(c(Cl)cc2Cl)[*:1])c1
CCCC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 CCCC[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)N[C@@H]1CCC[C@@H]1[*:1]
CCCC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 CCC[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)N[C@@H]1CCC[C@@H]1C[*:1]
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCc2cc(F)ccc2C1 O=[N+]([O-])c1ccccc1[*:1] O=C(C1CCN(CC1)[*:1])N1CCc2cc(F)ccc2C1
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCc2cc(F)ccc2C1 O=[N+]([O-])[*:1] O=C(C1CCN(CC1)c1ccccc1[*:1])N1CCc2cc(F)ccc2C1
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCCn1cccn1 CC(C)(C)[*:1] Cc1nc([nH]c(=O)c1C(=O)NCCCn1cccn1)[*:1]
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCCn1cccn1 c1cnn(c1)[*:1] Cc1nc([nH]c(=O)c1C(=O)NCCC[*:1])C(C)(C)C
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCCn1cccn1 c1cnn(c1)C[*:1] Cc1nc([nH]c(=O)c1C(=O)NCC[*:1])C(C)(C)C
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCCn1cccn1 c1cnn(c1)CC[*:1] Cc1nc([nH]c(=O)c1C(=O)NC[*:1])C(C)(C)C
C/C=C(/C)C(=O)O[C@@H]1CCC[C@H]1n1cccn1 CC=C(C)[*:1] O=C(O[C@@H]1CCC[C@H]1n1cccn1)[*:1]
C/C=C(/C)C(=O)O[C@@H]1CCC[C@H]1n1cccn1 c1cnn(c1)[*:1] C/C=C(/C)C(=O)O[C@@H]1CCC[C@@H]1[*:1]
CCCCn1cnc2c(-c3cccc(Cl)c3)csc2c1=O Clc1cccc(c1)[*:1] CCCCn1cnc2c(csc2c1=O)[*:1]
CCCCn1cnc2c(-c3cccc(Cl)c3)csc2c1=O CCCC[*:1] O=c1c2scc(-c3cccc(Cl)c3)c2ncn1[*:1]
CCCCn1cnc2c(-c3cccc(Cl)c3)csc2c1=O CCC[*:1] O=c1c2scc(-c3cccc(Cl)c3)c2ncn1C[*:1]
CNC(=O)CCSc1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(cc1)SCC[*:1]
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C(=O)c1ccc(Cl)c(Cl)c1)[*:1]
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O Clc1ccc(cc1Cl)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(Cc1ccccc1)C(=O)[*:1]
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C[*:1])C(=O)c1ccc(Cl)c(Cl)c1
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O CCCC[*:1] Nc1c(c(=O)[nH]c(=O)n1[*:1])N(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O CCC[*:1] Nc1c(c(=O)[nH]c(=O)n1C[*:1])N(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1
COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C(C)C
COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1OC(C)C)-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2[*:1]
COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C(C)C
COc1cccc(CN2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2=O)c1 COc1cccc(c1)[*:1] O=C1C[NH+](CCN1C[*:1])Cc1ccc(cc1)-n1cccn1
COc1cccc(CN2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2=O)c1 c1cnn(c1)[*:1] COc1cccc(c1)CN1CC[NH+](CC1=O)Cc1ccc(cc1)[*:1]
COc1cccc(CN2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2=O)c1 COc1cccc(c1)C[*:1] O=C1C[NH+](CCN1[*:1])Cc1ccc(cc1)-n1cccn1
C/C=C\C=C\C(=O)OCCCC CCCC[*:1] C/C=C\C=C\C(=O)O[*:1]
C/C=C\C=C\C(=O)OCCCC CC=C[*:1] CCCCOC(=O)C=C[*:1]
C/C=C\C=C\C(=O)OCCCC CCC[*:1] C/C=C\C=C\C(=O)OC[*:1]
O=C(c1ccc([O-])nn1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] O=C(c1ccc([O-])nn1)N1CCN(CC1)[*:1]
O=C(c1ccc([O-])nn1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(c1ccc([O-])nn1)N1CCN(CC1)C[*:1]
COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2[nH]1 c1ccc2[nH]c(cc2c1)[*:1] COCCOc1ccc(cc1NC(=O)[*:1])C(F)(F)F
COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2[nH]1 COCCO[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)c1cc2ccccc2[nH]1
COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2[nH]1 FC(F)(F)[*:1] COCCOc1ccc(cc1NC(=O)c1cc2ccccc2[nH]1)[*:1]
COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2[nH]1 COCC[*:1] O=C(Nc1cc(ccc1O[*:1])C(F)(F)F)c1cc2ccccc2[nH]1
COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2[nH]1 COC[*:1] O=C(Nc1cc(ccc1OC[*:1])C(F)(F)F)c1cc2ccccc2[nH]1
Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCNC(=O)C(C)C CC(C)[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCNC(=O)[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCNC(=O)C(C)C CC(C)C(=O)NCC[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCNC(=O)C(C)C CC(C)C(=O)NC[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCNC(=O)C(C)C CC(C)C(=O)N[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCNC(=O)C(C)C Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1C[NH2+]CCNC(=O)C(C)C)[*:1]
CC(C)[C@@H](CO)NC(=O)[C@@H](C#N)Cc1ccccc1 CC(C)[C@@H](CO)[*:1] N#C[C@@H](Cc1ccccc1)C(=O)N[*:1]
CC(C)[C@@H](CO)NC(=O)[C@@H](C#N)Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](CO)NC(=O)[C@@H](C#N)C[*:1]
CC(C)[C@@H](CO)NC(=O)[C@@H](C#N)Cc1ccccc1 CC(C)[*:1] N#C[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)[*:1]
O=C(CSCc1nc(-c2ccccc2)no1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CSCc1nc(no1)-c1ccccc1)NC[*:1]
O=C(CSCc1nc(-c2ccccc2)no1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CSCc1nc(no1)-c1ccccc1)N[*:1]
O=C(CSCc1nc(-c2ccccc2)no1)NCc1ccccc1Cl c1ccc(cc1)[*:1] O=C(CSCc1nc(no1)[*:1])NCc1ccccc1Cl
CC(=O)N/C(=C\c1ccccc1)C(=O)NC[C@@H]1CCCO1 CC(=O)N[*:1] O=C(NC[C@@H]1CCCO1)C(=Cc1ccccc1)[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] CC(=O)NC(=C[*:1])C(=O)NC[C@@H]1CCCO1
CC(=O)N/C(=C\c1ccccc1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)NC[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)N[*:1]
CC(C)[C@H](C[NH3+])c1nc([C@H]2CSCCO2)no1 CC(C)[*:1] [NH3+]C[C@H](c1nc(no1)[C@H]1CSCCO1)[*:1]
CCO[C@H](C)c1noc(CSc2nccn2CC)n1 CCO[*:1] CCn1ccnc1SCc1nc(no1)[C@@H](C)[*:1]
CCO[C@H](C)c1noc(CSc2nccn2CC)n1 CCO[C@H](C)[*:1] CCn1ccnc1SCc1nc(no1)[*:1]
C=CCNC(=O)c1ccc(N2CCCCC2=O)cc1 C=CCNC(=O)[*:1] O=C1CCCCN1c1ccc(cc1)[*:1]
C=CCNC(=O)c1ccc(N2CCCCC2=O)cc1 C=CC[*:1] O=C(N[*:1])c1ccc(cc1)N1CCCCC1=O
C[C@@H](c1nnc(SCc2nnc(-c3cc4c(s3)CCCC4)o2)n1-c1ccc(F)cc1)[NH+](C)C c1c(sc2CCCCc12)[*:1] C[C@@H](c1nnc(SCc2nnc(o2)[*:1])n1-c1ccc(F)cc1)[NH+](C)C
C[C@@H](c1nnc(SCc2nnc(-c3cc4c(s3)CCCC4)o2)n1-c1ccc(F)cc1)[NH+](C)C Fc1ccc(cc1)[*:1] C[C@@H](c1nnc(SCc2nnc(o2)-c2cc3CCCCc3s2)n1[*:1])[NH+](C)C
[NH3+]C1CC(CNC(=O)c2cccc(C(F)(F)F)c2F)C1 FC(F)(F)[*:1] [NH3+]C1CC(CNC(=O)c2cccc(c2F)[*:1])C1
[NH3+]C1CC(CNC(=O)c2cccc(C(F)(F)F)c2F)C1 [NH3+]C1CC(C1)C[*:1] O=C(N[*:1])c1cccc(c1F)C(F)(F)F
CC[C@@H]1CCCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)C1 c1ccc(cc1)[*:1] CC[C@@H]1CCCN(C1)C(=O)Cc1c(C)nn(c1C)[*:1]
CC[C@@H](C)N(C)S(=O)(=O)c1ccc(CCl)cc1F CC[C@@H](C)[*:1] CN(S(=O)(=O)c1ccc(cc1F)CCl)[*:1]
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1c[nH]nc1-c1cccnc1 c1cncc(c1)[*:1] C[C@H]1C[C@H](CN1Cc1c[nH]nc1[*:1])c1ccc(F)cc1
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1c[nH]nc1-c1cccnc1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1Cc1c[nH]nc1-c1cccnc1)[*:1]
COc1ccc([C@H](NC(=O)c2cnc(C(C)(C)C)s2)C2CCOCC2)cc1 CC(C)(C)c1ncc(s1)[*:1] COc1ccc(cc1)[C@H](NC(=O)[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)c2cnc(C(C)(C)C)s2)C2CCOCC2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1cnc(s1)[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)c2cnc(C(C)(C)C)s2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)c1ncc(s1)C(=O)N[C@H](C1CCOCC1)[*:1]
COc1ccc([C@H](NC(=O)c2cnc(C(C)(C)C)s2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1cnc(s1)C(C)(C)C)[*:1]
CC(C)NC(=O)CCCC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C CC(C)[*:1] Cn1c(nc2cc(ccc21)NC(=O)CCCC(=O)N[*:1])C(C)(C)C
CC(C)NC(=O)CCCC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C CC(C)NC(=O)C[*:1] Cn1c(nc2cc(ccc21)NC(=O)CC[*:1])C(C)(C)C
CC(C)NC(=O)CCCC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C CC(C)(C)[*:1] CC(C)NC(=O)CCCC(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
CC(C)NC(=O)CCCC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C CC(C)NC(=O)[*:1] Cn1c(nc2cc(ccc21)NC(=O)CCC[*:1])C(C)(C)C
CC(C)NC(=O)CCCC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C CC(C)NC(=O)CC[*:1] Cn1c(nc2cc(ccc21)NC(=O)C[*:1])C(C)(C)C
CC(=O)Nc1cccc(-n2nnnc2SCc2cc(=O)oc3cc(C)c(C)cc23)c1 CC(=O)Nc1cccc(c1)[*:1] Cc1cc2oc(=O)cc(CSc3nnnn3[*:1])c2cc1C
CC(=O)Nc1cccc(-n2nnnc2SCc2cc(=O)oc3cc(C)c(C)cc23)c1 CC(=O)N[*:1] Cc1cc2oc(=O)cc(CSc3nnnn3-c3cccc(c3)[*:1])c2cc1C
Cc1csc(CN(C)C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)n1 Cc1csc(n1)[*:1] CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)C[*:1]
Cc1csc(CN(C)C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)n1 Cc1csc(C[*:1])n1 CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)[*:1]
Cc1csc(CN(C)C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)n1 C1CC(CCO1)[*:1] Cc1csc(CN(C)C(=O)[C@@H]([NH2+][*:1])C(C)C)n1
Cc1csc(CN(C)C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)n1 CC(C)[*:1] Cc1csc(CN(C)C(=O)[C@@H]([NH2+]C2CCOCC2)[*:1])n1
Cc1ccc(-c2cc(C(=O)NCCn3nccc3C)c3c(C)nn(C)c3n2)cc1 Cc1ccnn1C[*:1] Cc1ccc(cc1)-c1cc(C(=O)NC[*:1])c2c(C)nn(C)c2n1
Cc1ccc(-c2cc(C(=O)NCCn3nccc3C)c3c(C)nn(C)c3n2)cc1 Cc1ccnn1CC[*:1] Cc1ccc(cc1)-c1cc(C(=O)N[*:1])c2c(C)nn(C)c2n1
Cc1ccc(-c2cc(C(=O)NCCn3nccc3C)c3c(C)nn(C)c3n2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)NCCn3nccc3C)c12)[*:1]
Cc1ccc(-c2cc(C(=O)NCCn3nccc3C)c3c(C)nn(C)c3n2)cc1 Cc1ccnn1[*:1] Cc1ccc(cc1)-c1cc(C(=O)NCC[*:1])c2c(C)nn(C)c2n1
CCOc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1
CCOc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1csc(n1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCOc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc1 CCO[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1
O=C([O-])c1cncnc1N1CC[C@H]2[NH2+]CCC[C@]2(CO)C1 O=C([O-])[*:1] OC[C@]12CCC[NH2+][C@@H]1CCN(C2)c1ncncc1[*:1]
O=C(NCc1ccccc1-n1ccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl c1cn(cn1)[*:1] O=C(NCc1ccccc1[*:1])C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]
O=C(NCc1ccccc1-n1ccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(NCc1ccccc1-n1ccnc1)C(=O)Nc1ccc(cc1Cl)[*:1]
O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)c1cccs1 c1csc(c1)[*:1] O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)[*:1]
CCCCC[NH2+][C@@H]1CCCS[C@H]1C CCC[*:1] C[C@@H]1SCCC[C@H]1[NH2+]CC[*:1]
CCCCC[NH2+][C@@H]1CCCS[C@H]1C CCCC[*:1] C[C@@H]1SCCC[C@H]1[NH2+]C[*:1]
COc1ccc(SCC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] O=C(CS[*:1])NC[C@H]1CCN(C1)c1ccccc1
COc1ccc(SCC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)SCC(=O)NC[C@H]1CCN(C1)[*:1]
CC[NH2+]Cc1cccc(OC)c1OCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] CC[NH2+]Cc1cccc(OC)c1OC[*:1]
N#Cc1ccc(F)c(CNC(=O)CCNS(=O)(=O)c2cccnc2)c1 c1cncc(c1)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)CCNS(=O)(=O)[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@@H](C)c1nccs1 c1csc(n1)[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@@H](C)[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@@H](C)c1nccs1 C[C@@H](c1nccs1)[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[*:1]
O=C(Nc1cccc(Cl)n1)[C@H]1C[C@H]1c1c(F)cccc1F Clc1cccc(n1)[*:1] O=C(N[*:1])[C@H]1C[C@H]1c1c(F)cccc1F
CC(C)(C)c1noc(CCC(=O)NC[C@@](C)(O)c2ccc(F)cc2)n1 CC(C)(C)[*:1] C[C@@](O)(CNC(=O)CCc1nc(no1)[*:1])c1ccc(F)cc1
CC(C)(C)c1noc(CCC(=O)NC[C@@](C)(O)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)(C)c1noc(CCC(=O)NC[C@@](C)(O)[*:1])n1
Cc1cnc(CNC(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)s1 CC(C)NC(=O)[*:1] Cc1cnc(CNC(=O)N[C@@H]2CCC[C@@H](C2)[*:1])s1
Cc1cnc(CNC(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)s1 Cc1cnc(s1)[*:1] CC(C)NC(=O)[C@@H]1CCC[C@H](C1)NC(=O)NC[*:1]
Cc1cnc(CNC(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)s1 CC(C)[*:1] Cc1cnc(CNC(=O)N[C@@H]2CCC[C@H](C2)C(=O)N[*:1])s1
Cc1cnc(CNC(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)s1 Cc1cnc(C[*:1])s1 CC(C)NC(=O)[C@@H]1CCC[C@H](C1)NC(=O)N[*:1]
CCCN(CCOC)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CCCN(CCOC)C(=O)Nc1ccc(cc1)[*:1]
CCCN(CCOC)C(=O)Nc1ccc(S(N)(=O)=O)cc1 COC[*:1] CCCN(C[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
CCCN(CCOC)C(=O)Nc1ccc(S(N)(=O)=O)cc1 CCC[*:1] COCCN(C(=O)Nc1ccc(cc1)S(N)(=O)=O)[*:1]
CCCN(CCOC)C(=O)Nc1ccc(S(N)(=O)=O)cc1 COCC[*:1] CCCN(C(=O)Nc1ccc(cc1)S(N)(=O)=O)[*:1]
Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cn(C)nc1C(C)C CC(C)[*:1] Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cn(C)nc1[*:1]
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(Cc2nc(C3CC3)no2)C1=O Fc1ccc(c(F)c1)[*:1] C[C@]1(NC(=O)N(Cc2nc(no2)C2CC2)C1=O)[*:1]
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(Cc2nc(C3CC3)no2)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(Cc2nc(no2)[*:1])C1=O)c1ccc(F)cc1F
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(Cc2nc(C3CC3)no2)C1=O C1CC1c1noc(n1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1F
O=C(CSc1ccc(-c2ccco2)nn1)N1CCCCC1 c1coc(c1)[*:1] O=C(CSc1ccc(nn1)[*:1])N1CCCCC1
CC[C@@H](NC(=O)NCc1ncnn1C)c1cc(F)ccc1F Cn1ncnc1C[*:1] CC[C@@H](NC(=O)N[*:1])c1cc(F)ccc1F
CC[C@@H](NC(=O)NCc1ncnn1C)c1cc(F)ccc1F Cn1ncnc1[*:1] CC[C@@H](NC(=O)NC[*:1])c1cc(F)ccc1F
Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nsc1C(=O)[O-] O=C([O-])[*:1] Nc1c(nsc1[*:1])C(=O)NCc1ccc2OCOc2c1
Cn1cccc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1=O FC(F)(F)C[*:1] Cn1cccc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])c1=O
Cn1cccc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1=O FC(F)(F)[*:1] Cn1cccc(NC(=O)[C@H]2CC(=O)N(C2)C[*:1])c1=O
CC[C@](C)([C@H](Cc1ccccc1Cl)[NH2+]C)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@](C)([C@H](Cc1ccccc1Cl)[NH2+]C)[*:1]
CC[C@](C)([C@H](Cc1ccccc1Cl)[NH2+]C)N1CCOCC1 Clc1ccccc1[*:1] CC[C@](C)([C@H](C[*:1])[NH2+]C)N1CCOCC1
COC(=O)c1ccc(NC[C@@H](C)c2nc(-c3ccccc3)no2)nn1 COC(=O)[*:1] C[C@H](CNc1ccc(nn1)[*:1])c1nc(no1)-c1ccccc1
COC(=O)c1ccc(NC[C@@H](C)c2nc(-c3ccccc3)no2)nn1 c1ccc(cc1)[*:1] COC(=O)c1ccc(nn1)NC[C@@H](C)c1nc(no1)[*:1]
CC[C@H](C)n1ncc(C(=O)Nc2ccc(N3CCCCC3)cn2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)Nc2ccc(cn2)N2CCCCC2)c1[*:1]
CC[C@H](C)n1ncc(C(=O)Nc2ccc(N3CCCCC3)cn2)c1C1CC1 C1CCN(CC1)[*:1] CC[C@H](C)n1ncc(C(=O)Nc2ccc(cn2)[*:1])c1C1CC1
O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nccs2)cc1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)-c1nccs1
O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nccs2)cc1 c1csc(n1)[*:1] O=C(COc1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 CCOC(=O)[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)C1CCCCC1)[*:1]
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] CCOC(=O)[C@H](C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CN(C)c1ccc(C(=O)N2CCO[C@H](C(N)=S)C2)cc1 CN(C)[*:1] NC(=S)[C@@H]1CN(CCO1)C(=O)c1ccc(cc1)[*:1]
CN(C)c1ccc(C(=O)N2CCO[C@H](C(N)=S)C2)cc1 NC(=S)[*:1] CN(C)c1ccc(cc1)C(=O)N1CCO[C@H](C1)[*:1]
O=C(Oc1ccc(-n2cnnn2)cc1)C1CCCCC1 c1nnnn1[*:1] O=C(Oc1ccc(cc1)[*:1])C1CCCCC1
O=C(Oc1ccc(-n2cnnn2)cc1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Oc1ccc(cc1)-n1cnnn1)[*:1]
Cc1ccc(SCC(=O)NC(=O)NCCC2=CCCCC2)nc1 Cc1ccc(nc1)[*:1] O=C(CS[*:1])NC(=O)NCCC1=CCCCC1
CSc1cccc2sc(N3CCN(C(=O)C(C)C)CC3)nc12 CC(C)[*:1] CSc1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
Cc1cc(Cl)cc(C)c1Oc1cc([C@H](C)O)ccn1 C[C@H](O)[*:1] Cc1cc(Cl)cc(C)c1Oc1cc(ccn1)[*:1]
CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)CC)c2n1 CCC(=O)NC[*:1] CCSc1nc(c2cnn(C[*:1])c2n1)N1CCOCC1
CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)CC)c2n1 CCC(=O)NCC[*:1] CCSc1nc(c2cnn(c2n1)[*:1])N1CCOCC1
CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)CC)c2n1 CCS[*:1] CCC(=O)NCCn1ncc2c(nc(nc21)[*:1])N1CCOCC1
CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)CC)c2n1 C1CN(CCO1)[*:1] CCSc1nc(c2cnn(CCNC(=O)CC)c2n1)[*:1]
CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)CC)c2n1 CCC(=O)N[*:1] CCSc1nc(c2cnn(CC[*:1])c2n1)N1CCOCC1
CCC(CC)[C@@H](CO)Cc1ccccc1 CCC(CC)[*:1] OC[C@@H](Cc1ccccc1)[*:1]
O=C(Cn1cc[nH+]c1)Nc1ccccc1OCC(F)(F)F FC(F)(F)C[*:1] O=C(Cn1cc[nH+]c1)Nc1ccccc1O[*:1]
O=C(Cn1cc[nH+]c1)Nc1ccccc1OCC(F)(F)F FC(F)(F)[*:1] O=C(Cn1cc[nH+]c1)Nc1ccccc1OC[*:1]
O=C(Cn1cc[nH+]c1)Nc1ccccc1OCC(F)(F)F FC(F)(F)CO[*:1] O=C(Cn1cc[nH+]c1)Nc1ccccc1[*:1]
Cc1cccc(OCC(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])NCC(=O)N1CCO[C@@H](C1)c1ccccc1
Cc1cccc(OCC(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])NCC(=O)N1CCO[C@@H](C1)c1ccccc1
Cc1cccc(OCC(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)c1 Cc1cccc(c1)OC[*:1] O=C(CNC(=O)[*:1])N1CCO[C@@H](C1)c1ccccc1
Cc1cccc(OCC(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)NCC(=O)N1CCO[C@H](C1)[*:1]
CCCCC[C@@H]1C(=N)NC(=O)N1C(C)C CCCCC[*:1] CC(C)N1C(=O)NC(=N)[C@H]1[*:1]
CCCCC[C@@H]1C(=N)NC(=O)N1C(C)C CCCC[*:1] CC(C)N1C(=O)NC(=N)[C@H]1C[*:1]
CCCCC[C@@H]1C(=N)NC(=O)N1C(C)C CCC[*:1] CC(C)N1C(=O)NC(=N)[C@H]1CC[*:1]
CCCCC[C@@H]1C(=N)NC(=O)N1C(C)C CC(C)[*:1] CCCCC[C@@H]1C(=N)NC(=O)N1[*:1]
CCCc1cc(Br)cs1 CCC[*:1] Brc1csc(c1)[*:1]
CN(CCN1CCOCC1)C(=O)c1c[nH]c2cccc(F)c12 C1CN(CCO1)[*:1] CN(CC[*:1])C(=O)c1c[nH]c2cccc(F)c12
CN(CCN1CCOCC1)C(=O)c1c[nH]c2cccc(F)c12 C1CN(CCO1)C[*:1] CN(C[*:1])C(=O)c1c[nH]c2cccc(F)c12
C[C@@H]1CCCN(C(=O)Cn2c(-c3cscn3)nc3ccccc32)C1 c1nc(cs1)[*:1] C[C@@H]1CCCN(C1)C(=O)Cn1c(nc2ccccc21)[*:1]
O=C(CSCC(=O)Nc1cc2c(cc1Cl)OCCCO2)Nc1ccccn1 O=C(Nc1ccccn1)[*:1] O=C(CSC[*:1])Nc1cc2OCCCOc2cc1Cl
O=C(CSCC(=O)Nc1cc2c(cc1Cl)OCCCO2)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(CSCC(=O)N[*:1])Nc1cc2OCCCOc2cc1Cl
N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1C(=O)Nc2nc(N[*:1])[nH]c(=O)c2[C@H]1c1ccccc1
N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1c1ccccc1 c1ccc(cc1)N[*:1] N#C[C@@H]1C(=O)Nc2nc([nH]c(=O)c2[C@H]1c1ccccc1)[*:1]
N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1[*:1]
O=C(NN1CCOCC1)c1cc(-c2ccc(F)cc2)nc2ccccc12 Fc1ccc(cc1)[*:1] O=C(NN1CCOCC1)c1cc(nc2ccccc12)[*:1]
O=c1oc2cccnc2n1CCOc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=c1oc2cccnc2n1CCOc1ccc(cc1Cl)[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)N2CC(C)(C)C2(C)C)n1 CCc1ccccc1[*:1] CC1(C)CN(C(=O)c2nn(cc2[O-])[*:1])C1(C)C
CCCN(CC(F)(F)F)[C@@H]1CCc2cc(N)ccc21 FC(F)(F)C[*:1] CCCN([C@@H]1CCc2cc(N)ccc21)[*:1]
CCCN(CC(F)(F)F)[C@@H]1CCc2cc(N)ccc21 CCC[*:1] Nc1ccc2c(c1)CC[C@H]2N(CC(F)(F)F)[*:1]
CCCN(CC(F)(F)F)[C@@H]1CCc2cc(N)ccc21 FC(F)(F)[*:1] CCCN(C[*:1])[C@@H]1CCc2cc(N)ccc21
Nc1ccc(Cl)cc1S[C@H]1CC(=O)N(C2CC2)C1=O C1CC1[*:1] Nc1ccc(Cl)cc1S[C@H]1CC(=O)N(C1=O)[*:1]
CC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 FC(F)(F)O[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 FC(F)(F)[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)O[*:1]
CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc(-n2ccnn2)cc1 CC[C@@H](C)[*:1] O=C(NC[C@H](O)[*:1])c1ccc(cc1)-n1ccnn1
CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc(cc1)[*:1]
COc1cc(C(C)=O)ccc1O[C@H](C)[C@@H](C)O C[C@@H](O)[*:1] COc1cc(ccc1O[C@H](C)[*:1])C(C)=O
COc1cc(C(C)=O)ccc1O[C@H](C)[C@@H](C)O CC(=O)[*:1] COc1cc(ccc1O[C@H](C)[C@@H](C)O)[*:1]
Nc1c(-c2nc(-c3ccc(F)cc3)no2)nnn1-c1cccc(Cl)c1 Fc1ccc(cc1)[*:1] Nc1c(nnn1-c1cccc(Cl)c1)-c1nc(no1)[*:1]
Nc1c(-c2nc(-c3ccc(F)cc3)no2)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Nc1c(nnn1[*:1])-c1nc(no1)-c1ccc(F)cc1
N#C/C(=C\c1cc(Cl)c(O)c(Br)c1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1cc(Cl)c(O)c(Br)c1)C(=O)NC[*:1]
N#C/C(=C\c1cc(Cl)c(O)c(Br)c1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] N#C/C(=C\c1cc(Cl)c(O)c(Br)c1)C(=O)N[*:1]
CCOc1cc2c(cc1/C=C(\C#N)c1nc3ccc(OC)cc3[nH]1)OCO2 CCO[*:1] COc1ccc2nc([nH]c2c1)/C(C#N)=C/c1cc2OCOc2cc1[*:1]
CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1CC(N)=O)c1ccccc1 NC(=O)C[*:1] CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1[*:1])c1ccccc1
CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1CC(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1CC(N)=O)[*:1]
CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1CC(N)=O)c1ccccc1 CC(C)[*:1] NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@H](c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1CC(N)=O)c1ccccc1 NC(=O)[*:1] CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1C[*:1])c1ccccc1
Cc1c(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cnn1C1CCOCC1 C1CC(CCO1)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N1CCC[C@H](C1)c1nc2ccccc2[nH]1)[*:1]
C[C@H](OC(=O)CSc1nncs1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](OC(=O)CSc1nncs1)[*:1]
C[C@H](OC(=O)CSc1nncs1)c1ccc(Cl)s1 c1nnc(s1)[*:1] C[C@H](OC(=O)CS[*:1])c1ccc(Cl)s1
C[C@H](OC(=O)CSc1nncs1)c1ccc(Cl)s1 c1nnc(S[*:1])s1 C[C@H](OC(=O)C[*:1])c1ccc(Cl)s1
CCC1(CNC(=O)NCCc2csc(C)n2)CC1 CCC1(CC1)[*:1] Cc1nc(cs1)CCNC(=O)NC[*:1]
CCC1(CNC(=O)NCCc2csc(C)n2)CC1 Cc1nc(cs1)[*:1] CCC1(CC1)CNC(=O)NCC[*:1]
CCC1(CNC(=O)NCCc2csc(C)n2)CC1 CCC1(CC1)C[*:1] Cc1nc(cs1)CCNC(=O)N[*:1]
COc1ccc(-c2ccc(=O)n(CC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2)c(F)c1 CC(C)[*:1] COc1ccc(-c2ccc(=O)n(CC(=O)N(C[*:1])[C@H]3CCS(=O)(=O)C3)n2)c(F)c1
COc1ccc(-c2ccc(=O)n(CC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2)c(F)c1 CC(C)C[*:1] COc1ccc(-c2ccc(=O)n(CC(=O)N([C@H]3CCS(=O)(=O)C3)[*:1])n2)c(F)c1
COc1ccc(-c2ccc(=O)n(CC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2)c(F)c1 COc1ccc(c(F)c1)[*:1] CC(C)CN(C(=O)Cn1nc(ccc1=O)[*:1])[C@H]1CCS(=O)(=O)C1
O=C(NCCc1cccs1)NC[C@H](O)c1ccc(Cl)cc1 c1csc(c1)[*:1] O=C(NCC[*:1])NC[C@H](O)c1ccc(Cl)cc1
O=C(NCCc1cccs1)NC[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCCc1cccs1)NC[C@H](O)[*:1]
O=C(NCCc1cccs1)NC[C@H](O)c1ccc(Cl)cc1 c1csc(c1)CC[*:1] O=C(NC[C@H](O)c1ccc(Cl)cc1)N[*:1]
O=C(NCCc1cccs1)NC[C@H](O)c1ccc(Cl)cc1 c1csc(c1)C[*:1] O=C(NC[C@H](O)c1ccc(Cl)cc1)NC[*:1]
Cc1ccc(-c2noc(C[S@@](=O)[C@@H](C)c3ccccc3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](c1ccccc1)[S@](=O)Cc1nc(no1)[*:1]
Cc1ccc(-c2noc(C[S@@](=O)[C@@H](C)c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(C[S@@](=O)[C@@H](C)[*:1])n1
CCCCN(C)C(=O)NCc1ccc(OC(C)C)cc1 CCCC[*:1] CC(C)Oc1ccc(cc1)CNC(=O)N(C)[*:1]
CCCCN(C)C(=O)NCc1ccc(OC(C)C)cc1 CC(C)O[*:1] CCCCN(C)C(=O)NCc1ccc(cc1)[*:1]
CCCCN(C)C(=O)NCc1ccc(OC(C)C)cc1 CC(C)[*:1] CCCCN(C)C(=O)NCc1ccc(cc1)O[*:1]
CCCCN(C)C(=O)NCc1ccc(OC(C)C)cc1 CCC[*:1] CC(C)Oc1ccc(cc1)CNC(=O)N(C)C[*:1]
COC(=O)c1cc(F)ccc1N[C@@H]1CS[C@@H](C)C1 COC(=O)[*:1] C[C@H]1C[C@@H](CS1)Nc1ccc(F)cc1[*:1]
Cc1nsnc1COc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 Cc1nsnc1C[*:1] Cc1nc(NC(=O)c2ccc(cc2)O[*:1])sc1C
Cc1nsnc1COc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 Cc1nsnc1[*:1] Cc1nc(NC(=O)c2ccc(cc2)OC[*:1])sc1C
Cc1nsnc1COc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 Cc1nc(sc1C)[*:1] Cc1nsnc1COc1ccc(cc1)C(=O)N[*:1]
Cc1nsnc1COc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 Cc1nsnc1CO[*:1] Cc1nc(NC(=O)c2ccc(cc2)[*:1])sc1C
Cc1ccc(O)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(O)c(c1)NC(=O)Cc1ccccc1[*:1]
C[C@H](COc1ccccc1)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)O[*:1] C[C@H](C[*:1])C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1
C[C@H](COc1ccccc1)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)OC[*:1] C[C@H](C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
C[C@H](COc1ccccc1)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)[*:1] C[C@H](CO[*:1])C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1
CCCOc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1OC CCCO[*:1] COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1[*:1]
CCCOc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1OC COc1ccccc1[*:1] CCCOc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)N[*:1]
CCCOc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1OC CCC[*:1] COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1O[*:1]
CCC(CC)[NH2+][C@@H](CO)C(C)C CC(C)[*:1] CCC(CC)[NH2+][C@@H](CO)[*:1]
Cc1nccn1-c1cncc(N2CC[C@@H]3CCCC[C@@H]32)n1 Cc1nccn1[*:1] c1ncc(nc1N1CC[C@@H]2CCCC[C@@H]21)[*:1]
COc1ccc(C)cc1Nc1ncnc(Nc2cccnc2)c1N c1cncc(c1)N[*:1] COc1ccc(C)cc1Nc1ncnc(c1N)[*:1]
COc1ccc(C)cc1Nc1ncnc(Nc2cccnc2)c1N c1cncc(c1)[*:1] COc1ccc(C)cc1Nc1ncnc(N[*:1])c1N
COCC[NH2+]C[C@H]1CCCO[C@H]1c1cccs1 c1csc(c1)[*:1] COCC[NH2+]C[C@H]1CCCO[C@@H]1[*:1]
COCC[NH2+]C[C@H]1CCCO[C@H]1c1cccs1 COCC[*:1] c1csc(c1)[C@@H]1OCCC[C@@H]1C[NH2+][*:1]
COCC[NH2+]C[C@H]1CCCO[C@H]1c1cccs1 COC[*:1] c1csc(c1)[C@@H]1OCCC[C@@H]1C[NH2+]C[*:1]
C=CCCC(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 C=CC[*:1] O=C(C[*:1])N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
C=CCCC(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 C=CCC[*:1] O=C(N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)[*:1]
O=C(Cc1cccs1)N1CCC([C@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 c1ccc(nc1)[*:1] O=C(Cc1cccs1)N1CCC(CC1)[C@@]1(NC(=O)N(C[C@@H]2CCCO2)C1=O)[*:1]
O=C(Cc1cccs1)N1CCC([C@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 C1CO[C@@H](C1)[*:1] O=C(Cc1cccs1)N1CCC(CC1)[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccccn1
O=C(Cc1cccs1)N1CCC([C@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 c1csc(c1)C[*:1] O=C1N[C@@](C(=O)N1C[C@@H]1CCCO1)(c1ccccn1)C1CCN(CC1)C(=O)[*:1]
O=C(Cc1cccs1)N1CCC([C@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 C1CO[C@@H](C1)C[*:1] O=C(Cc1cccs1)N1CCC(CC1)[C@@]1(NC(=O)N(C1=O)[*:1])c1ccccn1
O=C(Cc1cccs1)N1CCC([C@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 c1csc(c1)[*:1] O=C(C[*:1])N1CCC(CC1)[C@@]1(NC(=O)N(C[C@@H]2CCCO2)C1=O)c1ccccn1
CCO[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 CCO[*:1] Cn1cc(cn1)N1CCC[C@H](C1)NC(=O)N1CCC[C@@H](C1)[*:1]
CCO[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 Cn1cc(cn1)[*:1] CCO[C@H]1CCCN(C1)C(=O)N[C@@H]1CCCN(C1)[*:1]
CS(=O)(=O)CC1(CC(=O)OC[C@@H]2CC2(Cl)Cl)CC1 CS(=O)(=O)[*:1] O=C(CC1(CC1)C[*:1])OC[C@@H]1CC1(Cl)Cl
CS(=O)(=O)CC1(CC(=O)OC[C@@H]2CC2(Cl)Cl)CC1 CS(=O)(=O)C[*:1] O=C(CC1(CC1)[*:1])OC[C@@H]1CC1(Cl)Cl
CS(=O)(=O)CC1(CC(=O)OC[C@@H]2CC2(Cl)Cl)CC1 ClC1(Cl)C[C@H]1[*:1] CS(=O)(=O)CC1(CC1)CC(=O)OC[*:1]
CS(=O)(=O)CC1(CC(=O)OC[C@@H]2CC2(Cl)Cl)CC1 ClC1(Cl)C[C@H]1C[*:1] CS(=O)(=O)CC1(CC1)CC(=O)O[*:1]
COC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O COC(=O)C[*:1] Cc1cc(C)cc(c1)N1CC[C@@H](C1=O)C(=O)N1CCCC[C@H]1[*:1]
COC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O Cc1cc(C)cc(c1)[*:1] COC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCN(C1=O)[*:1]
COC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O COC(=O)[*:1] Cc1cc(C)cc(c1)N1CC[C@@H](C1=O)C(=O)N1CCCC[C@H]1C[*:1]
Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccn(C(C)C)n3)nc2c1C CC(C)n1ccc(n1)[*:1] Cc1ccc2sc(nc2c1C)N(Cc1cccnc1)C(=O)[*:1]
Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccn(C(C)C)n3)nc2c1C CC(C)[*:1] Cc1ccc2sc(nc2c1C)N(Cc1cccnc1)C(=O)c1ccn(n1)[*:1]
Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccn(C(C)C)n3)nc2c1C c1cncc(c1)C[*:1] Cc1ccc2sc(nc2c1C)N(C(=O)c1ccn(n1)C(C)C)[*:1]
Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccn(C(C)C)n3)nc2c1C c1cncc(c1)[*:1] Cc1ccc2sc(nc2c1C)N(C[*:1])C(=O)c1ccn(n1)C(C)C
Cc1ccc(Oc2cc([C@H](C)O)ccn2)c(C(C)(C)C)c1 C[C@H](O)[*:1] Cc1ccc(Oc2cc(ccn2)[*:1])c(c1)C(C)(C)C
Cc1ccc(Oc2cc([C@H](C)O)ccn2)c(C(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(Oc2cc(ccn2)[C@H](C)O)c(c1)[*:1]
CC(C)(C)OC(=O)C1CCC(NS(=O)(=O)Cc2ccccc2Cl)CC1 CC(C)(C)OC(=O)[*:1] O=S(=O)(Cc1ccccc1Cl)NC1CCC(CC1)[*:1]
CC(C)(C)OC(=O)C1CCC(NS(=O)(=O)Cc2ccccc2Cl)CC1 Clc1ccccc1C[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NS(=O)(=O)[*:1]
CC(C)(C)OC(=O)C1CCC(NS(=O)(=O)Cc2ccccc2Cl)CC1 CC(C)(C)[*:1] O=C(O[*:1])C1CCC(CC1)NS(=O)(=O)Cc1ccccc1Cl
CC(C)(C)OC(=O)C1CCC(NS(=O)(=O)Cc2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NS(=O)(=O)C[*:1]
COc1ccc(CNC[C@H](O)c2ccccc2F)cc1O Fc1ccccc1[*:1] COc1ccc(cc1O)CNC[C@H](O)[*:1]
CCC[NH2+][C@@H](C1=CCCCCC1)[C@H]1CCO[C@@H]1C CCC[*:1] C[C@H]1OCC[C@@H]1[C@@H]([NH2+][*:1])C1=CCCCCC1
O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 Clc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(C1)[*:1]
COCCOc1ccc(C(=O)[O-])cc1Br COCCO[*:1] O=C([O-])c1ccc(c(Br)c1)[*:1]
COCCOc1ccc(C(=O)[O-])cc1Br COCC[*:1] O=C([O-])c1ccc(O[*:1])c(Br)c1
COCCOc1ccc(C(=O)[O-])cc1Br COC[*:1] O=C([O-])c1ccc(OC[*:1])c(Br)c1
COCCOc1ccc(C(=O)[O-])cc1Br O=C([O-])[*:1] COCCOc1ccc(cc1Br)[*:1]
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(CC#N)cc3)c[nH+]2)CCO1 N#CCc1ccc(cc1)[*:1] C[C@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(CC#N)cc3)c[nH+]2)CCO1 N#CC[*:1] C[C@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)Nc1ccc(cc1)[*:1]
O=C1[C@H](Nc2cccc(CC[NH+]3CCCC3)c2)CCCN1CC(F)(F)F FC(F)(F)[*:1] O=C1[C@@H](CCCN1C[*:1])Nc1cccc(c1)CC[NH+]1CCCC1
O=C1[C@H](Nc2cccc(CC[NH+]3CCCC3)c2)CCCN1CC(F)(F)F FC(F)(F)C[*:1] O=C1[C@@H](CCCN1[*:1])Nc1cccc(c1)CC[NH+]1CCCC1
CCCC[C@H](C[C@H]1OCCc2ccccc21)[NH2+]C CCCC[*:1] C[NH2+][C@@H](C[C@H]1OCCc2ccccc21)[*:1]
CCCC[C@H](C[C@H]1OCCc2ccccc21)[NH2+]C CCC[*:1] C[NH2+][C@@H](C[C@H]1OCCc2ccccc21)C[*:1]
CN(CCC#N)C(=O)[C@@H]1CCCN(C(N)=O)C1 N#CCC[*:1] CN(C(=O)[C@@H]1CCCN(C1)C(N)=O)[*:1]
CN(CCC#N)C(=O)[C@@H]1CCCN(C(N)=O)C1 N#CC[*:1] CN(C[*:1])C(=O)[C@@H]1CCCN(C1)C(N)=O
O=C(NCCc1cccc(F)c1)Nc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(NCCc1cccc(F)c1)Nc1ccc(cc1)C[*:1]
O=C(NCCc1cccc(F)c1)Nc1ccc(CN2CCCC2=O)cc1 Fc1cccc(c1)C[*:1] O=C(NC[*:1])Nc1ccc(cc1)CN1CCCC1=O
O=C(NCCc1cccc(F)c1)Nc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] O=C(NCCc1cccc(F)c1)Nc1ccc(cc1)[*:1]
O=C(NCCc1cccc(F)c1)Nc1ccc(CN2CCCC2=O)cc1 Fc1cccc(c1)[*:1] O=C(NCC[*:1])Nc1ccc(cc1)CN1CCCC1=O
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)C1=c2ccccc2=[NH+][C@@H]1C O=S1(=O)CC[C@@H](C1)[*:1] Cc1nn(c(C)c1CN(C)CC(=O)C1=c2ccccc2=[NH+][C@@H]1C)[*:1]
CC(=O)N1CC[C@H](C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)C1 CC(=O)N1CC[C@H](C1)[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)[*:1]
CC(=O)N1CC[C@H](C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)C1 Cc1cc(C)cc(c1)[*:1] CC(=O)N1CC[C@@H](C1)C(=O)N1CC=C(CC1)[*:1]
C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)[C@@H]2COc3ccc(F)cc3C2)o1 Cc1ccc(o1)[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N1CCSC[C@H]1[*:1]
O=C1C[C@H](c2ccc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc2)CN1 c1ccc(cc1)[*:1] O=C1C[C@@H](CN1)c1ccc(cc1)S(=O)(=O)NC(c1ccccc1)[*:1]
O=S(=O)(Nc1cnn(-c2ccccc2F)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(Nc1cnn(c1)-c1ccccc1F)[*:1]
O=S(=O)(Nc1cnn(-c2ccccc2F)c1)c1ccc(Cl)cc1 Fc1ccccc1[*:1] O=S(=O)(Nc1cnn(c1)[*:1])c1ccc(Cl)cc1
O=C(Cn1nc(-n2cncn2)ccc1=O)NCC(F)(F)F c1ncn(n1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])NCC(F)(F)F
O=C(Cn1nc(-n2cncn2)ccc1=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(Cn1nc(ccc1=O)-n1cncn1)NC[*:1]
O=C(Cn1nc(-n2cncn2)ccc1=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C(Cn1nc(ccc1=O)-n1cncn1)N[*:1]
N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 N#Cc1ccsc1NC(=O)[*:1] Clc1ccc(cc1)-n1c(nnc1-c1ccncc1)SC[*:1]
N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccncc2)n1[*:1]
N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 c1cc(ccn1)[*:1] N#Cc1ccsc1NC(=O)CSc1nnc(n1-c1ccc(Cl)cc1)[*:1]
N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 N#Cc1ccsc1[*:1] O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N[*:1]
C[NH+](C)CC(=O)N1[C@H]2CC[C@@H]1Cc1c2cnc2cc(-c3cccc(F)c3)nn12 Fc1cccc(c1)[*:1] C[NH+](C)CC(=O)N1[C@H]2CC[C@@H]1Cc1c2cnc2cc(nn12)[*:1]
O=S(=O)(NCCc1cccc2cccnc12)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCCc1cccc2cccnc12)[*:1]
Cc1ccc(-c2cc(COC(=O)C[C@H]3CSc4ncc(C)c(=O)n43)no2)cc1 Cc1ccc(cc1)[*:1] Cc1cnc2SC[C@H](CC(=O)OCc3cc(on3)[*:1])n2c1=O
CC(=O)Nc1cc(C(=O)N(C)Cc2nc3ccccc3s2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)N(C)Cc1nc2ccccc2s1
Cc1ccnc(N2CCCO[C@H](C[NH+]3CCCCC3)C2)n1 Cc1ccnc(n1)[*:1] C1CC[NH+](CC1)C[C@@H]1CN(CCCO1)[*:1]
C[C@@H](CNC(=O)[C@H](C)Oc1ccc(F)c(F)c1)Nc1ccccc1 Fc1ccc(cc1F)[*:1] C[C@@H](CNC(=O)[C@H](C)O[*:1])Nc1ccccc1
C[C@@H](CNC(=O)[C@H](C)Oc1ccc(F)c(F)c1)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@H](C)[*:1]
C[C@@H](CNC(=O)[C@H](C)Oc1ccc(F)c(F)c1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@H](C)Oc1ccc(F)c(F)c1)N[*:1]
COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@H]1C(C(=O)N[*:1])=C(C)NC2CCCC(=O)C=21
COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)c1 COc1ccc(OC)c(c1)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)Nc1ccc(F)cc1)[*:1]
COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)c1 O=C(Nc1ccc(F)cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Sc1nc(n[nH]1)-c1ccccc1)C(=O)N(C)[*:1]
C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nc(n[nH]1)-c1ccccc1)C(=O)N(C)C[*:1]
C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)N(C)Cc1ccccc1
Cc1cnccc1CN(C)C(=O)CC12CC3CC(CC(C3)C1)C2 Cc1cnccc1[*:1] CN(C[*:1])C(=O)CC12CC3CC(CC(C3)C1)C2
COc1cc(OC)cc(-c2nnc(SCc3ccc(F)cc3)o2)c1 Fc1ccc(cc1)C[*:1] COc1cc(cc(c1)-c1nnc(o1)S[*:1])OC
COc1cc(OC)cc(-c2nnc(SCc3ccc(F)cc3)o2)c1 Fc1ccc(cc1)[*:1] COc1cc(cc(c1)-c1nnc(o1)SC[*:1])OC
CCOc1c(Br)cc(C(=O)NNC(=O)c2cc(C)oc2C)cc1OC Cc1cc(c(C)o1)[*:1] CCOc1c(Br)cc(cc1OC)C(=O)NNC(=O)[*:1]
CCOc1c(Br)cc(C(=O)NNC(=O)c2cc(C)oc2C)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])C(=O)NNC(=O)c1cc(C)oc1C
CCN(C(=O)c1csc(-c2cccs2)n1)c1cccc(F)c1 c1csc(c1)[*:1] CCN(C(=O)c1csc(n1)[*:1])c1cccc(F)c1
CCN(C(=O)c1csc(-c2cccs2)n1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(C(=O)c1csc(n1)-c1cccs1)[*:1]
O=C([O-])c1ccc(-c2ccc(OCc3ccccc3)cc2)nc1 O=C([O-])[*:1] c1ccc(cc1)COc1ccc(cc1)-c1ccc(cn1)[*:1]
O=C([O-])c1ccc(-c2ccc(OCc3ccccc3)cc2)nc1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(nc1)-c1ccc(cc1)OC[*:1]
O=C([O-])c1ccc(-c2ccc(OCc3ccccc3)cc2)nc1 c1ccc(cc1)C[*:1] O=C([O-])c1ccc(nc1)-c1ccc(cc1)O[*:1]
C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(nc1)[*:1]
C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(OCC(F)F)nc1 CS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)C(=O)c1ccc(nc1)OCC(F)F
C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(OCC(F)F)nc1 FC(F)[*:1] C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(nc1)OC[*:1]
C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(OCC(F)F)nc1 CS(=O)(=O)C[*:1] C[C@H](N(C)C(=O)c1ccc(nc1)OCC(F)F)[*:1]
C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(OCC(F)F)nc1 C[C@H](CS(C)(=O)=O)[*:1] CN(C(=O)c1ccc(nc1)OCC(F)F)[*:1]
C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(nc1)O[*:1]
CCOC(=O)Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc1 CCOC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCCCC[C@@H]1c1cccs1
CCOC(=O)Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])N1CCCCC[C@@H]1c1cccs1
CCOC(=O)Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc1 c1csc(c1)[*:1] CCOC(=O)Cc1ccc(cc1)NC(=O)N1CCCCC[C@H]1[*:1]
O=C(Nc1ccc(F)cc1)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)CC1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(F)cc1)N1CCC(CC1)c1nc(=O)c2nnn(c2[nH]1)[*:1]
O=C(Nc1ccc(F)cc1)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)CC1 Fc1ccc(cc1)[*:1] O=C(N[*:1])N1CCC(CC1)c1nc(=O)c2nnn(Cc3ccccc3)c2[nH]1
O=C(Nc1ccc(F)cc1)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)N1CCC(CC1)c1nc(=O)c2nnn(C[*:1])c2[nH]1
CS[C@@H](C)c1cccc(NC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c1 CS[C@@H](C)[*:1] CC(C)[C@@H](NC(=O)Nc1cccc(c1)[*:1])c1nc(no1)C1CC1
CS[C@@H](C)c1cccc(NC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c1 C1CC1c1noc(n1)[*:1] CS[C@@H](C)c1cccc(c1)NC(=O)N[C@@H](C(C)C)[*:1]
CS[C@@H](C)c1cccc(NC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c1 CC(C)[*:1] CS[C@@H](C)c1cccc(c1)NC(=O)N[C@@H](c1nc(no1)C1CC1)[*:1]
CS[C@@H](C)c1cccc(NC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c1 C1CC1[*:1] CS[C@@H](C)c1cccc(c1)NC(=O)N[C@@H](c1nc(no1)[*:1])C(C)C
CC[C@](C)(NC(=O)[C@@H](C)CC1CCCC1)C(=O)OC C1CCC(C1)[*:1] CC[C@](C)(NC(=O)[C@@H](C)C[*:1])C(=O)OC
CC[C@](C)(NC(=O)[C@@H](C)CC1CCCC1)C(=O)OC C1CCC(C1)C[*:1] CC[C@](C)(NC(=O)[C@@H](C)[*:1])C(=O)OC
CC[C@](C)(NC(=O)[C@@H](C)CC1CCCC1)C(=O)OC COC(=O)[*:1] CC[C@](C)(NC(=O)[C@@H](C)CC1CCCC1)[*:1]
C[C@H](NC(=O)NOCc1ccccc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)NOCc1ccccc1)[*:1]
C[C@H](NC(=O)NOCc1ccccc1)c1ccc(Cl)s1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NOC[*:1])c1ccc(Cl)s1
Cc1cccc([C@H]2CC(c3ccc(Br)s3)=Nc3ncnn32)c1 Brc1ccc(s1)[*:1] Cc1cccc(c1)[C@H]1CC(=Nc2ncnn21)[*:1]
Cc1cccc([C@H]2CC(c3ccc(Br)s3)=Nc3ncnn32)c1 Cc1cccc(c1)[*:1] Brc1ccc(s1)C1C[C@@H](n2ncnc2N=1)[*:1]
CCCCN(C)S(=O)(=O)[N-]c1cccc2cccnc12 CCC[*:1] CN(C[*:1])S(=O)(=O)[N-]c1cccc2cccnc12
CCCCN(C)S(=O)(=O)[N-]c1cccc2cccnc12 CCCC[*:1] CN(S(=O)(=O)[N-]c1cccc2cccnc12)[*:1]
CSc1ccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cn1 O=C(N1CCCC1)[*:1] CSc1ccc(cn1)C(=O)Nc1cccc(C)c1[*:1]
CSc1ccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cn1 CSc1ccc(cn1)[*:1] Cc1cccc(NC(=O)[*:1])c1C(=O)N1CCCC1
NC(=O)C1([NH+]2CCCCC2)CCN(Cc2c(C(=O)N3CCCC3)nc3ccccn23)CC1 O=C(N1CCCC1)[*:1] NC(=O)C1(CCN(CC1)Cc1c(nc2ccccn12)[*:1])[NH+]1CCCCC1
NC(=O)C1([NH+]2CCCCC2)CCN(Cc2c(C(=O)N3CCCC3)nc3ccccn23)CC1 NC(=O)[*:1] O=C(c1nc2ccccn2c1CN1CCC(CC1)([NH+]1CCCCC1)[*:1])N1CCCC1
CCOCCC(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 CCOC[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc2OCCc2c1
CCOCCC(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 CCO[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1ccc2OCCc2c1
CCOCCC(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 CCOCC[*:1] O=C(Nc1nc(cs1)-c1ccc2OCCc2c1)[*:1]
O=C1NCCC[C@H]1NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O Fc1ccc(cc1F)[*:1] O=C1NCCC[C@H]1NC(=O)[C@H]1CCN(C1=O)[*:1]
O=C1NCCC[C@H]1NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O O=C1NCCC[C@@H]1[*:1] O=C(N[*:1])[C@H]1CCN(C1=O)c1ccc(F)c(F)c1
COC(=O)c1cccc(CCNC(=O)Cn2cccn2)c1 COC(=O)[*:1] O=C(Cn1cccn1)NCCc1cccc(c1)[*:1]
COC(=O)c1cccc(CCNC(=O)Cn2cccn2)c1 c1cnn(c1)C[*:1] COC(=O)c1cccc(c1)CCNC(=O)[*:1]
COC(=O)c1cccc(CCNC(=O)Cn2cccn2)c1 c1cnn(c1)[*:1] COC(=O)c1cccc(c1)CCNC(=O)C[*:1]
COCCOc1ncccc1NC(=O)Cn1c(=O)oc2ccccc21 COCC[*:1] O=C(Cn1c(=O)oc2ccccc21)Nc1cccnc1O[*:1]
COCCOc1ncccc1NC(=O)Cn1c(=O)oc2ccccc21 COCCO[*:1] O=C(Cn1c(=O)oc2ccccc21)Nc1cccnc1[*:1]
COCCOc1ncccc1NC(=O)Cn1c(=O)oc2ccccc21 COC[*:1] O=C(Cn1c(=O)oc2ccccc21)Nc1cccnc1OC[*:1]
CCN(CC#N)C(=O)[C@H](C)CCc1cccc(F)c1 N#CC[*:1] CCN(C(=O)[C@H](C)CCc1cccc(F)c1)[*:1]
NC(=O)NC(=O)CCCSc1nnc(Cc2cccs2)o1 c1csc(c1)[*:1] NC(=O)NC(=O)CCCSc1nnc(C[*:1])o1
NC(=O)NC(=O)CCCSc1nnc(Cc2cccs2)o1 NC(=O)NC(=O)C[*:1] c1csc(c1)Cc1nnc(o1)SCC[*:1]
NC(=O)NC(=O)CCCSc1nnc(Cc2cccs2)o1 NC(=O)NC(=O)[*:1] c1csc(c1)Cc1nnc(o1)SCCC[*:1]
NC(=O)NC(=O)CCCSc1nnc(Cc2cccs2)o1 c1csc(c1)C[*:1] NC(=O)NC(=O)CCCSc1nnc(o1)[*:1]
O=C(CCCNC(=O)c1ccco1)Nc1cc(-c2ccco2)ccc1F c1coc(c1)[*:1] O=C(CCCNC(=O)c1ccco1)Nc1cc(ccc1F)[*:1]
O=C(CCCNC(=O)c1ccco1)Nc1cc(-c2ccco2)ccc1F c1coc(c1)[*:1] O=C(CCCNC(=O)[*:1])Nc1cc(ccc1F)-c1ccco1
O=C(CCCNC(=O)c1ccco1)Nc1cc(-c2ccco2)ccc1F O=C(N[*:1])c1ccco1 O=C(CCC[*:1])Nc1cc(ccc1F)-c1ccco1
Cc1cccc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)c1 Cc1cccc(c1)[*:1] O=C(N1CCC[C@@H](C1)Nc1ccc(F)cc1)[*:1]
Cc1cccc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CCC[C@@H](C1)N[*:1]
CCC[C@@H]1CN(Cc2cn[nH]c2-c2cccc(C)c2)CC[NH2+]1 Cc1cccc(c1)[*:1] CCC[C@@H]1CN(CC[NH2+]1)Cc1cn[nH]c1[*:1]
CCC[C@@H]1CN(Cc2cn[nH]c2-c2cccc(C)c2)CC[NH2+]1 CCC[*:1] Cc1cccc(c1)-c1[nH]ncc1CN1CC[NH2+][C@@H](C1)[*:1]
CCSc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cn1 CCS[*:1] O=C(c1ccc(nc1)[*:1])N1CCC[C@H]1c1ccccn1
CCSc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cn1 c1ccc(nc1)[*:1] CCSc1ccc(cn1)C(=O)N1CCC[C@@H]1[*:1]
O=C(Cn1ccccc1=O)NCC1(Sc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1ccccc1=O)NCC1(CC1)S[*:1]
O=C(Cn1ccccc1=O)NCC1(Sc2ccccc2)CC1 O=c1ccccn1[*:1] O=C(C[*:1])NCC1(CC1)Sc1ccccc1
O=C(Cn1ccccc1=O)NCC1(Sc2ccccc2)CC1 c1ccc(cc1)S[*:1] O=C(Cn1ccccc1=O)NCC1(CC1)[*:1]
Cc1cccc(-c2noc(CCC(=O)Nc3n[nH]c4nc(C)ccc34)n2)c1 Cc1cccc(c1)[*:1] Cc1ccc2c(n[nH]c2n1)NC(=O)CCc1nc(no1)[*:1]
CC(=O)Nc1cc(NCc2ccc(-c3ccccc3F)s2)ccc1C Fc1ccccc1[*:1] CC(=O)Nc1cc(ccc1C)NCc1ccc(s1)[*:1]
CC(=O)Nc1cc(NCc2ccc(-c3ccccc3F)s2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NCc1ccc(s1)-c1ccccc1F
COc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(=O)N1C[C@@H](C)C[C@H](C)C1 COc1ccccc1[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)Cn1c(nc2ccccc21)SCC(=O)N[*:1]
COc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(=O)N1C[C@@H](C)C[C@H](C)C1 COc1ccccc1NC(=O)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)Cn1c(nc2ccccc21)SC[*:1]
CC[C@H]1c2ccsc2CCN1C(=O)CCSc1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@H]1c2ccsc2CCN1C(=O)CCS[*:1]
CC[C@H]1c2ccsc2CCN1C(=O)CCSc1nc(C)n[nH]1 Cc1n[nH]c(n1)S[*:1] CC[C@H]1c2ccsc2CCN1C(=O)CC[*:1]
CCOc1ccc(NC(=O)CN2CCc3nc(NC(=O)NC(C)C)sc3C2)cc1 CC(C)NC(=O)N[*:1] CCOc1ccc(cc1)NC(=O)CN1CCc2nc(sc2C1)[*:1]
CCOc1ccc(NC(=O)CN2CCc3nc(NC(=O)NC(C)C)sc3C2)cc1 CC(C)[*:1] CCOc1ccc(cc1)NC(=O)CN1CCc2nc(NC(=O)N[*:1])sc2C1
CCOc1ccc(NC(=O)CN2CCc3nc(NC(=O)NC(C)C)sc3C2)cc1 CCO[*:1] CC(C)NC(=O)Nc1nc2CCN(CC(=O)Nc3ccc(cc3)[*:1])Cc2s1
CCOc1ccc(NC(=O)CN2CCc3nc(NC(=O)NC(C)C)sc3C2)cc1 CCOc1ccc(cc1)[*:1] CC(C)NC(=O)Nc1nc2CCN(CC(=O)N[*:1])Cc2s1
CCC(=O)N1CC[C@@H](C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)C1 NC(=O)[*:1] CCC(=O)N1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 CCOC(=O)[*:1] O=C(Nc1scc(c1[*:1])C1CC1)c1ccc(Br)c(c1)[N+](=O)[O-]
CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)c1c(csc1NC(=O)c1ccc(Br)c(c1)[*:1])C1CC1
CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 C1CC1[*:1] CCOC(=O)c1c(csc1NC(=O)c1ccc(Br)c(c1)[N+](=O)[O-])[*:1]
COc1ccccc1N1CC[C@H](CNc2ccncc2[N+](=O)[O-])C1 COc1ccccc1[*:1] O=[N+]([O-])c1cnccc1NC[C@H]1CCN(C1)[*:1]
COc1ccccc1N1CC[C@H](CNc2ccncc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] COc1ccccc1N1CC[C@H](CNc2ccncc2[*:1])C1
CC(C)c1ccc(NC(=O)c2nnn3c2nc([O-])c2ccccc23)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1nnn2c1nc([O-])c1ccccc12
CCCc1nc(-c2cnn(C)c2C)nc(NC)c1Br CCC[*:1] CNc1nc(nc(c1Br)[*:1])-c1cnn(C)c1C
CNC(=O)NC(=O)CN1CCC(=O)Nc2cc(F)ccc21 CNC(=O)NC(=O)[*:1] O=C1CCN(C[*:1])c2ccc(F)cc2N1
C[C@@H](NC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)c1nnc2ccccn12 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)N[C@H]1C[C@H]1[*:1])c1nnc2ccccn12
CC[NH2+]CC(=O)Nc1ccc(OCC)cc1 CCO[*:1] CC[NH2+]CC(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@@H](n2cc[nH+]c2C)C1 CCOC(=O)[*:1] Cc1[nH+]ccn1[C@@H]1CC[C@](C1)([NH2+]C(C)C)[*:1]
CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@@H](n2cc[nH+]c2C)C1 CC(C)[*:1] CCOC(=O)[C@@]1(CC[C@H](C1)n1cc[nH+]c1C)[NH2+][*:1]
Cc1cc(=O)n2nc(NC[C@H](c3ccccc3)[NH+]3CCCC3)sc2n1 c1ccc(cc1)[*:1] Cc1cc(=O)n2nc(NC[C@H]([NH+]3CCCC3)[*:1])sc2n1
CC[C@@H](C)N(C)C(=O)N[C@@H]1CCCOc2c1ccc1ccccc21 CC[C@@H](C)[*:1] CN(C(=O)N[C@@H]1CCCOc2c1ccc1ccccc21)[*:1]
COCCNC(=O)CNC(=O)NCc1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)CNC(=O)NCC(=O)N[*:1]
COCCNC(=O)CNC(=O)NCc1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)CNC(=O)NCC(=O)NC[*:1]
CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 CN(Cc1ccccc1)C(=O)[*:1] O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCC(CC1)[*:1]
CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 c1ccn(c1)[*:1] CN(Cc1ccccc1)C(=O)C1CCN(CC1)C(=O)c1cnn(-c2ccccc2)c1[*:1]
CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)C1CCN(CC1)C(=O)c1cnn(-c2ccccc2)c1-n1cccc1
CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 c1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)C1CCN(CC1)C(=O)c1cnn(c1-n1cccc1)[*:1]
CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 c1ccc(cc1)C[*:1] CN(C(=O)C1CCN(CC1)C(=O)c1cnn(-c2ccccc2)c1-n1cccc1)[*:1]
CCc1ccc([C@@H](CO)NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)c1cc(c(C)s1)[*:1]
COC[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1C)c1ccco1 COC[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@H](c1ccco1)[*:1]
COC[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1C)c1ccco1 c1coc(c1)[*:1] COC[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1C)[*:1]
Cc1ccccc1C1(CNC(=O)NCCc2ccccn2)CC1 c1ccc(C[*:1])nc1 Cc1ccccc1C1(CC1)CNC(=O)NC[*:1]
Cc1ccccc1C1(CNC(=O)NCCc2ccccn2)CC1 c1ccc(nc1)[*:1] Cc1ccccc1C1(CC1)CNC(=O)NCC[*:1]
Cc1ccccc1C1(CNC(=O)NCCc2ccccn2)CC1 Cc1ccccc1[*:1] O=C(NCCc1ccccn1)NCC1(CC1)[*:1]
Cc1cc(C(=O)COc2ccc3c(c2)OCO3)c(C)n1Cc1cccs1 c1csc(c1)C[*:1] Cc1cc(C(=O)COc2ccc3OCOc3c2)c(C)n1[*:1]
Cc1cc(C(=O)COc2ccc3c(c2)OCO3)c(C)n1Cc1cccs1 c1csc(c1)[*:1] Cc1cc(C(=O)COc2ccc3OCOc3c2)c(C)n1C[*:1]
O=[N+]([O-])c1ccccc1SCC1(CS)CC1 O=[N+]([O-])[*:1] SCC1(CC1)CSc1ccccc1[*:1]
O=[N+]([O-])c1ccccc1SCC1(CS)CC1 SCC1(CC1)[*:1] O=[N+]([O-])c1ccccc1SC[*:1]
Cc1ncc(C(=O)NCCNC(=O)C2CC2)s1 C1CC1[*:1] Cc1ncc(s1)C(=O)NCCNC(=O)[*:1]
COc1ccccc1/C=C/C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 COc1ccccc1[*:1] N#C[C@H](C(=O)C=C[*:1])c1nnc2CCCCCn21
COC(=O)c1cncc(C(=O)N[C@@H](C)C2CCOCC2)c1 C1CC(CCO1)[*:1] COC(=O)c1cncc(c1)C(=O)N[C@@H](C)[*:1]
COC(=O)c1cncc(C(=O)N[C@@H](C)C2CCOCC2)c1 COC(=O)[*:1] C[C@H](NC(=O)c1cncc(c1)[*:1])C1CCOCC1
CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2cccn2C)cc1 Cn1cccc1[*:1] CC[C@@H](CO)NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC(=O)N(C)C)CC(F)(F)F FC(F)(F)[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC(=O)N(C)C)C[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC(=O)N(C)C)CC(F)(F)F FC(F)(F)C[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC(=O)N(C)C)[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC(=O)N(C)C)CC(F)(F)F CN(C)C(=O)[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC(F)(F)F)C[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC(=O)N(C)C)CC(F)(F)F CN(C)C(=O)C[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC(F)(F)F)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)CCCNC(=O)[*:1]
OCCN1CCN(c2nc(Nc3ccccc3)c3nccnc3n2)CC1 OCC[*:1] c1ccc(cc1)Nc1nc(nc2nccnc12)N1CCN(CC1)[*:1]
OCCN1CCN(c2nc(Nc3ccccc3)c3nccnc3n2)CC1 c1ccc(cc1)N[*:1] OCCN1CCN(CC1)c1nc(c2nccnc2n1)[*:1]
OCCN1CCN(c2nc(Nc3ccccc3)c3nccnc3n2)CC1 c1ccc(cc1)[*:1] OCCN1CCN(CC1)c1nc(N[*:1])c2nccnc2n1
CCn1c(C)nc2cc(C(=O)N3CCC(c4cc5nccnc5[nH]4)CC3)ccc21 c1cnc2[nH]c(cc2n1)[*:1] CCn1c(C)nc2cc(ccc21)C(=O)N1CCC(CC1)[*:1]
CCC(C)(C)n1c(SCC(=O)[O-])nc2cccnc21 O=C([O-])[*:1] CCC(C)(C)n1c(nc2cccnc21)SC[*:1]
CCC(C)(C)n1c(SCC(=O)[O-])nc2cccnc21 O=C([O-])C[*:1] CCC(C)(C)n1c(nc2cccnc21)S[*:1]
CCC(C)(C)n1c(SCC(=O)[O-])nc2cccnc21 CCC(C)(C)[*:1] O=C([O-])CSc1nc2cccnc2n1[*:1]
CCC(C)(C)n1c(SCC(=O)[O-])nc2cccnc21 O=C([O-])CS[*:1] CCC(C)(C)n1c(nc2cccnc21)[*:1]
O=C([O-])CN1C(=O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 O=C([O-])C[*:1] O=C(OCC1c2ccccc2-c2ccccc21)N1CC(=O)N(c2ccccc21)[*:1]
O=C([O-])CN1C(=O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 O=C([O-])[*:1] O=C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc2N1C[*:1]
Cc1n[nH]cc1CN1CCN([C@@H](C)C(F)(F)F)CC1 Cc1n[nH]cc1[*:1] C[C@H](N1CCN(CC1)C[*:1])C(F)(F)F
Cc1n[nH]cc1CN1CCN([C@@H](C)C(F)(F)F)CC1 C[C@@H](C(F)(F)F)[*:1] Cc1n[nH]cc1CN1CCN(CC1)[*:1]
Cc1n[nH]cc1CN1CCN([C@@H](C)C(F)(F)F)CC1 FC(F)(F)[*:1] Cc1n[nH]cc1CN1CCN(CC1)[C@@H](C)[*:1]
O=C1CN(C(=O)COC(=O)c2ccc(Br)o2)c2ccccc2N1 Brc1ccc(o1)[*:1] O=C1CN(C(=O)COC(=O)[*:1])c2ccccc2N1
O=C(CCOc1ccccc1)NNC(=O)Nc1ccccn1 c1ccc(cc1)[*:1] O=C(CCO[*:1])NNC(=O)Nc1ccccn1
O=C(CCOc1ccccc1)NNC(=O)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(CCOc1ccccc1)NNC(=O)N[*:1]
O=C(CCOc1ccccc1)NNC(=O)Nc1ccccn1 c1ccc(cc1)O[*:1] O=C(CC[*:1])NNC(=O)Nc1ccccn1
CS(=O)(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)Cc3ccccc3)sc2c1 c1ccc(cc1)C[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)[*:1])sc2c1
CS(=O)(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)Cc3ccccc3)sc2c1 CS(=O)(=O)[*:1] O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nc2ccc(cc2s1)[*:1]
CS(=O)(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)Cc3ccccc3)sc2c1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)C[*:1])sc2c1
COc1ccc(-c2nc(C[NH+](C)CC(C)C)c(C)o2)c(OC)c1 CC(C)C[*:1] COc1ccc(-c2nc(C[NH+](C)[*:1])c(C)o2)c(c1)OC
COc1ccc(-c2nc(C[NH+](C)CC(C)C)c(C)o2)c(OC)c1 CC(C)[*:1] COc1ccc(-c2nc(C[NH+](C)C[*:1])c(C)o2)c(c1)OC
Nn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccnc1 c1cncc(c1)[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1cccc2ccccc12
CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 CNC(=O)[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(cc1)[*:1]
CC1CCN(C(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)CC1 O=C([O-])[*:1] CC1CCN(CC1)C(=O)N[C@@H]1C=C[C@H](C1)[*:1]
CCOC(=O)C(=C(N)N)[C@@H]1CC(=O)Oc2ccccc21 CCOC(=O)[*:1] NC(N)=C([C@@H]1CC(=O)Oc2ccccc21)[*:1]
CCOC(=O)[C@H]1CCCC2=c3cccc(C(N)=O)c3=[NH+][C@H]21 NC(=O)[*:1] CCOC(=O)[C@H]1CCCC2=c3cccc(c3=[NH+][C@H]21)[*:1]
CCOC(=O)[C@H]1CCCC2=c3cccc(C(N)=O)c3=[NH+][C@H]21 CCOC(=O)[*:1] NC(=O)c1cccc2=C3CCC[C@@H]([C@@H]3[NH+]=c12)[*:1]
O=C([C@H](c1cccnc1)N1CCOCC1)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1 c1cncc(c1)[*:1] O=C([C@H](N1CCOCC1)[*:1])N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1
O=C([C@H](c1cccnc1)N1CCOCC1)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1 C1CN(CCO1)[*:1] O=C([C@H](c1cccnc1)[*:1])N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1
CCn1c(NNC(=O)CC2(O)CCCCC2)nc2ccccc2c1=O OC1(CCCCC1)[*:1] CCn1c(nc2ccccc2c1=O)NNC(=O)C[*:1]
CCn1c(NNC(=O)CC2(O)CCCCC2)nc2ccccc2c1=O OC1(CCCCC1)C[*:1] CCn1c(nc2ccccc2c1=O)NNC(=O)[*:1]
C=C(C)C[C@@H](O)Cc1cc(F)cc(F)c1 C=C(C)C[*:1] O[C@@H](Cc1cc(F)cc(F)c1)[*:1]
C=C(C)C[C@@H](O)Cc1cc(F)cc(F)c1 C=C(C)[*:1] O[C@@H](Cc1cc(F)cc(F)c1)C[*:1]
Cc1cc(C)n(-c2ccc(CNC(=O)CC3CCC3)cn2)n1 C1CC(C1)C[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)CNC(=O)[*:1]
Cc1cc(C)n(-c2ccc(CNC(=O)CC3CCC3)cn2)n1 C1CC(C1)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)CNC(=O)C[*:1]
Cc1cc(C)n(-c2ccc(CNC(=O)CC3CCC3)cn2)n1 Cc1cc(C)n(n1)[*:1] O=C(CC1CCC1)NCc1ccc(nc1)[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)NC[C@H]3CCCO3)ccc21 C1CO[C@H](C1)C[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)N[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)NC[C@H]3CCCO3)ccc21 C1CO[C@H](C1)[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)NC[*:1]
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCC2CCCCC2)C1 C1CCC(CC1)[*:1] CN(C)S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCC2CCCCC2)C1 C1CCC(CC1)C[*:1] CN(C)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C O=[N+]([O-])c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccccc1C(=O)NC(C)(C)C
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](Oc1ccc(cc1)[N+](=O)[O-])C(=O)Nc1ccccc1[*:1]
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C O=[N+]([O-])[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)Nc1ccccc1C(=O)NC(C)(C)C
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](Oc1ccc(cc1)[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1c(C(=O)NNC(=O)NC[C@H]2CCCO2)oc2ccc(Cl)cc12 C1CO[C@H](C1)[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)NNC(=O)NC[*:1]
Cc1c(C(=O)NNC(=O)NC[C@H]2CCCO2)oc2ccc(Cl)cc12 C1CO[C@H](C1)C[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)NNC(=O)N[*:1]
O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)N1CCC(CO)CC1 Fc1cccc(F)c1[*:1] O=C(N[C@H]1CCN(C1)[*:1])N1CCC(CO)CC1
COc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1F COc1ccc(cc1F)[*:1] O=C(NCc1ccccc1C[NH+]1CCCCC1)C(=O)N[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1 c1cc2OCOc2cc1[*:1] C[C@@H]1Cc2ccccc2N1C(=O)C1(CC1)c1cc(on1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1c(F)cc(S(N)(=O)=O)cc1F NS(=O)(=O)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1c(F)cc(cc1F)[*:1]
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1n[nH]c(=S)n1C Cn1c(C[*:1])n[nH]c1=S CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[*:1]
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1n[nH]c(=S)n1C N#Cc1ccccc1[*:1] CC(C)[C@H](O[*:1])C(=O)NCc1n[nH]c(=S)n1C
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1n[nH]c(=S)n1C Cn1c(n[nH]c1=S)[*:1] CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[*:1]
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1n[nH]c(=S)n1C CC(C)[*:1] Cn1c(CNC(=O)[C@@H](Oc2ccccc2C#N)[*:1])n[nH]c1=S
CCc1ccccc1NC(=O)CSc1ncnc2c1sc1ccccc12 CCc1ccccc1[*:1] O=C(CSc1ncnc2c1sc1ccccc12)N[*:1]
CCc1ccc(-c2cnc([C@H](C[NH3+])CC(C)C)[nH]2)cc1 CC(C)C[*:1] CCc1ccc(cc1)-c1cnc([nH]1)[C@H](C[NH3+])[*:1]
CCc1ccc(-c2cnc([C@H](C[NH3+])CC(C)C)[nH]2)cc1 CC(C)[*:1] CCc1ccc(cc1)-c1cnc([nH]1)[C@H](C[NH3+])C[*:1]
O=C(Cn1cnnn1)Nc1ncc(Cc2ccccc2F)s1 Fc1ccccc1[*:1] O=C(Cn1cnnn1)Nc1ncc(C[*:1])s1
O=C(Cn1cnnn1)Nc1ncc(Cc2ccccc2F)s1 c1nnnn1[*:1] O=C(C[*:1])Nc1ncc(Cc2ccccc2F)s1
O=C(Cn1cnnn1)Nc1ncc(Cc2ccccc2F)s1 c1nnnn1C[*:1] O=C(Nc1ncc(Cc2ccccc2F)s1)[*:1]
Cc1c(CCC(=O)Nc2cc(-c3cccs3)n[nH]2)cnn1C c1csc(c1)[*:1] Cc1c(cnn1C)CCC(=O)Nc1cc(n[nH]1)[*:1]
Cc1c(CCC(=O)Nc2cc(-c3cccs3)n[nH]2)cnn1C Cc1c(cnn1C)[*:1] O=C(CC[*:1])Nc1cc(n[nH]1)-c1cccs1
O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)n1ncnc1N2 Clc1ccc(cc1Cl)[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@H](C=21)[*:1])c1cccs1
O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)n1ncnc1N2 c1csc(c1)[*:1] O=C1C[C@@H](CC2Nc3ncnn3[C@@H](C=21)c1ccc(Cl)c(Cl)c1)[*:1]
COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)C2CCC2)c1 CC(C)(C)[*:1] COc1ccc(NC(=O)O[*:1])c(c1)NC(=O)C1CCC1
COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)C2CCC2)c1 O=C(N[*:1])C1CCC1 COc1ccc(NC(=O)OC(C)(C)C)c(c1)[*:1]
COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)C2CCC2)c1 C1CC(C1)[*:1] COc1ccc(NC(=O)OC(C)(C)C)c(c1)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2C=Cc3ccccc3[C@H]2C#N)cc1 Cc1ccc(cc1)[*:1] N#C[C@@H]1c2ccccc2C=CN1S(=O)(=O)[*:1]
CCC[C@@H](CBr)CN1CC(=O)N(C)CC1=O CCC[*:1] CN1CC(=O)N(CC1=O)C[C@H](CBr)[*:1]
C[C@H](NS(=O)(=O)[C@@H]1CCOC1)c1cc(F)c(Cl)cc1Cl C1C[C@H](CO1)[*:1] C[C@H](NS(=O)(=O)[*:1])c1cc(F)c(Cl)cc1Cl
Cc1nc(Cc2nnc(SCC(=O)Nc3ccccc3C)o2)cs1 Cc1nc(cs1)C[*:1] Cc1ccccc1NC(=O)CSc1nnc(o1)[*:1]
Cc1nc(Cc2nnc(SCC(=O)Nc3ccccc3C)o2)cs1 Cc1nc(cs1)[*:1] Cc1ccccc1NC(=O)CSc1nnc(C[*:1])o1
Cc1nc(Cc2nnc(SCC(=O)Nc3ccccc3C)o2)cs1 Cc1ccccc1[*:1] Cc1nc(cs1)Cc1nnc(o1)SCC(=O)N[*:1]
C[NH+](C)C1(CNC(=O)COc2ccccc2)CCCCC1 c1ccc(cc1)O[*:1] C[NH+](C)C1(CCCCC1)CNC(=O)C[*:1]
C[NH+](C)C1(CNC(=O)COc2ccccc2)CCCCC1 c1ccc(cc1)[*:1] C[NH+](C)C1(CCCCC1)CNC(=O)CO[*:1]
CCn1cc(C(=O)NCCCn2cc(C)cn2)cn1 Cc1cnn(c1)[*:1] CCn1cc(cn1)C(=O)NCCC[*:1]
Cc1ccc([C@@H]2CN(Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)o1 N#CC[*:1] Cc1ccc(o1)[C@@H]1CN(CCO1)Cc1cn(C[*:1])nc1-c1ccccc1
Cc1ccc([C@@H]2CN(Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)o1 N#CCC[*:1] Cc1ccc(o1)[C@@H]1CN(CCO1)Cc1cn(nc1-c1ccccc1)[*:1]
Cc1ccc([C@@H]2CN(Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)o1 Cc1ccc(o1)[*:1] N#CCCn1cc(CN2CCO[C@@H](C2)[*:1])c(n1)-c1ccccc1
Cc1ccc([C@@H]2CN(Cc3cn(CCC#N)nc3-c3ccccc3)CCO2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@@H]1CN(CCO1)Cc1cn(CCC#N)nc1[*:1]
O=C(c1cc2ccccc2oc1=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(c1cc2ccccc2oc1=O)N1CC=C(CC1)[*:1]
CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)S(N)(=O)=O)[*:1]
CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 CC(C)[*:1] NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)[*:1])C1CC1
CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 CC(C)c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N(C[*:1])C1CC1
CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 NS(=O)(=O)[*:1] CC(C)c1ccc(cc1)CN(C1CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CCc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(-c2ccc(Cl)cc2)n1 O=C([O-])[*:1] CCc1cc(nc(n1)-c1ccc(Cl)cc1)N1CCC[C@H](C1)[*:1]
CCc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCc1cc(nc(n1)[*:1])N1CCC[C@@H](C1)C(=O)[O-]
Cc1cccc(NC(=O)COC(=O)c2sc(-c3nc[nH]n3)nc2C)c1 Cc1cccc(c1)[*:1] Cc1nc(sc1C(=O)OCC(=O)N[*:1])-c1nc[nH]n1
Cc1ccc(-n2c(SCCc3ccncc3)nnc2N2CCOCC2)cc1 c1cc(ccn1)CC[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCOCC1)S[*:1]
Cc1ccc(-n2c(SCCc3ccncc3)nnc2N2CCOCC2)cc1 c1cc(ccn1)CCS[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])N1CCOCC1
Cc1ccc(-n2c(SCCc3ccncc3)nnc2N2CCOCC2)cc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCOCC1)SC[*:1]
Cc1ccc(-n2c(SCCc3ccncc3)nnc2N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] c1cc(ccn1)CCSc1nnc(N2CCOCC2)n1[*:1]
Cc1ccc(-n2c(SCCc3ccncc3)nnc2N2CCOCC2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCOCC1)SCC[*:1]
Cc1ccc(-n2c(SCCc3ccncc3)nnc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCCc1ccncc1
Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)cc1N1CCOC1=O Fc1cccc(c1)[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)[C@H]1C[C@@H]1[*:1]
Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)cc1N1CCOC1=O O=C1OCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H]1C[C@H]1c1cccc(F)c1
CC[C@H](CO)NC(=O)NC[C@H](C)c1ccc(F)c(F)c1 CC[C@H](CO)[*:1] C[C@@H](CNC(=O)N[*:1])c1ccc(F)c(F)c1
O=C(CNC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(CNC(=O)N1CCN(CC1)c1cccc[nH+]1)N[*:1]
CC(C)N1CC[C@@H](N[C@@H]2CCCc3[nH]c(=O)ccc32)C1=O CC(C)[*:1] O=C1[C@@H](CCN1[*:1])N[C@@H]1CCCc2[nH]c(=O)ccc21
Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1Cl OCC[*:1] Cc1ccc(cc1Cl)N1CCCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1Cl OCCC[*:1] Cc1ccc(cc1Cl)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1Cl Cc1ccc(cc1Cl)[*:1] Cn1c(=O)n(CCCO)c(=O)c2c1nc1N(CCCn12)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)c1cn[nH]c1
COC(=O)[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C c1n[nH]cc1[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)[*:1]
Cc1ccccc1CC(=O)NCCCn1ccnc1 c1cn(cn1)[*:1] Cc1ccccc1CC(=O)NCCC[*:1]
Cc1ccccc1CC(=O)NCCCn1ccnc1 c1cn(cn1)C[*:1] Cc1ccccc1CC(=O)NCC[*:1]
CN(Cc1cnn(C)c1)C(=O)C[C@@H]1CCS(=O)(=O)C1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)C[C@@H]1CCS(=O)(=O)C1
CNC(=O)c1ccc(NC(=O)NNc2ccc(F)cc2)cc1Cl CNC(=O)[*:1] O=C(NNc1ccc(F)cc1)Nc1ccc(c(Cl)c1)[*:1]
CNC(=O)c1ccc(NC(=O)NNc2ccc(F)cc2)cc1Cl Fc1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)NN[*:1]
CCOc1ccc(N2C(=O)C[C@@H]([C@@H](C)c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)C[C@H](C1=O)[C@@H](C)[*:1]
CCOc1ccc(N2C(=O)C[C@@H]([C@@H](C)c3ccccc3)C2=O)cc1 CCO[*:1] C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)C[C@@H]([C@@H](C)c3ccccc3)C2=O)cc1 C[C@@H](c1ccccc1)[*:1] CCOc1ccc(cc1)N1C(=O)C[C@@H](C1=O)[*:1]
C[C@H]([NH2+]Cc1cccc(COc2ccccc2)c1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H]([NH2+]Cc1cccc(c1)COc1ccccc1)[*:1]
C[C@H]([NH2+]Cc1cccc(COc2ccccc2)c1)c1ccc(F)cn1 c1ccc(cc1)OC[*:1] C[C@H]([NH2+]Cc1cccc(c1)[*:1])c1ccc(F)cn1
C[C@H]([NH2+]Cc1cccc(COc2ccccc2)c1)c1ccc(F)cn1 c1ccc(cc1)O[*:1] C[C@H]([NH2+]Cc1cccc(c1)C[*:1])c1ccc(F)cn1
C[C@H]([NH2+]Cc1cccc(COc2ccccc2)c1)c1ccc(F)cn1 c1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1cccc(c1)CO[*:1])c1ccc(F)cn1
CC(C)Cc1ccc(C/C([O-])=N/S(=O)(=O)c2ccc(C#N)cc2)cc1 CC(C)[*:1] N#Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])Cc1ccc(cc1)C[*:1]
CC(C)Cc1ccc(C/C([O-])=N/S(=O)(=O)c2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CC(C)Cc1ccc(cc1)C/C([O-])=N/S(=O)(=O)[*:1]
CC(C)Cc1ccc(C/C([O-])=N/S(=O)(=O)c2ccc(C#N)cc2)cc1 CC(C)C[*:1] N#Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])Cc1ccc(cc1)[*:1]
Cc1cc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)n2C2CC2)no1 C1CC1[*:1] Cc1cc(no1)NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1[*:1]
Cc1cc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)n2C2CC2)no1 Cc1cc(no1)[*:1] C[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)N[*:1]
CCC[NH2+][C@H](c1ccc(C2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] CCC[NH2+][C@H](c1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCC[NH2+][C@H](c1ccc(C2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=S1(=O)CC[C@H](C1)[C@H]([NH2+][*:1])c1ccc(cc1)C1CC1
CC[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[*:1]
Cc1ccncc1NC(=O)c1cccc(COc2cccc(F)c2)c1 Cc1ccncc1[*:1] O=C(N[*:1])c1cccc(c1)COc1cccc(F)c1
Cc1ccncc1NC(=O)c1cccc(COc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] Cc1ccncc1NC(=O)c1cccc(c1)CO[*:1]
Cc1ccncc1NC(=O)c1cccc(COc2cccc(F)c2)c1 Fc1cccc(c1)O[*:1] Cc1ccncc1NC(=O)c1cccc(c1)C[*:1]
O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)C[*:1]
O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1ccc(F)cc1 O=C1CCC[C@H]1[*:1] O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)NNC(=O)Nc1ccc(cc1)O[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)NNC(=O)Nc1ccc(cc1)[*:1]
CCCCc1[nH]c(CN2CC[C@H]3CN(C(=O)C(=O)c4ccco4)C[C@H]32)c[nH+]1 CCC[*:1] O=C(C(=O)N1C[C@@H]2CCN(Cc3c[nH+]c(C[*:1])[nH]3)[C@@H]2C1)c1ccco1
CCCCc1[nH]c(CN2CC[C@H]3CN(C(=O)C(=O)c4ccco4)C[C@H]32)c[nH+]1 c1coc(c1)[*:1] CCCCc1[nH]c(c[nH+]1)CN1CC[C@H]2CN(C[C@H]21)C(=O)C(=O)[*:1]
CCCCc1[nH]c(CN2CC[C@H]3CN(C(=O)C(=O)c4ccco4)C[C@H]32)c[nH+]1 CCCC[*:1] O=C(C(=O)N1C[C@@H]2CCN(Cc3c[nH+]c([nH]3)[*:1])[C@@H]2C1)c1ccco1
C/[NH+]=C(/NCCc1nnc2ccccn12)NC1CC[NH+](C2CC2)CC1 C1CC1[*:1] C/[NH+]=C(/NCCc1nnc2ccccn12)NC1CC[NH+](CC1)[*:1]
CC[NH2+][C@H]1C[C@@H](C)C[C@H](C)[C@@H]1CN(C)CCc1cccs1 c1csc(c1)[*:1] CC[NH2+][C@H]1C[C@@H](C)C[C@H](C)[C@@H]1CN(C)CC[*:1]
CC[NH2+][C@H]1C[C@@H](C)C[C@H](C)[C@@H]1CN(C)CCc1cccs1 c1csc(c1)C[*:1] CC[NH2+][C@H]1C[C@@H](C)C[C@H](C)[C@@H]1CN(C)C[*:1]
CC[NH2+][C@H]1C[C@@H](C)C[C@H](C)[C@@H]1CN(C)CCc1cccs1 c1csc(c1)CC[*:1] CC[NH2+][C@H]1C[C@@H](C)C[C@H](C)[C@@H]1CN(C)[*:1]
C[C@H](NC(=O)c1ccc(Cl)nc1)c1nc(-c2ccncc2)n[nH]1 c1cc(ccn1)[*:1] C[C@H](NC(=O)c1ccc(Cl)nc1)c1nc(n[nH]1)[*:1]
C[C@H](NC(=O)c1ccc(Cl)nc1)c1nc(-c2ccncc2)n[nH]1 Clc1ccc(cn1)[*:1] C[C@H](NC(=O)[*:1])c1nc(n[nH]1)-c1ccncc1
Cc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccc(NC(=O)C(C)C)cc3)s2)CC1=O CC(C)[*:1] Cc1ccccc1N1C[C@@H](CC1=O)c1nnc(NC(=O)c2ccc(cc2)NC(=O)[*:1])s1
Cc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccc(NC(=O)C(C)C)cc3)s2)CC1=O Cc1ccccc1[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccc(NC(=O)C(C)C)cc3)s2)CC1=O CC(C)C(=O)N[*:1] Cc1ccccc1N1C[C@@H](CC1=O)c1nnc(NC(=O)c2ccc(cc2)[*:1])s1
COC(=O)[C@H]1C(=S)Nc2ccccc2O/C1=N\C=O COC(=O)[*:1] O=C/N=C1\Oc2ccccc2NC(=S)[C@@H]1[*:1]
N#Cc1ccccc1OCC(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] N#Cc1ccccc1OCC(=O)N[*:1]
N#Cc1ccccc1OCC(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] N#Cc1ccccc1OCC(=O)NC[*:1]
Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2occc2C)s1 Cc1ccc(s1)[*:1] Cc1ccoc1[C@H](C)[NH2+]CCNS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2occc2C)s1 Cc1ccoc1[*:1] Cc1ccc(s1)S(=O)(=O)NCC[NH2+][C@@H](C)[*:1]
CC(=O)c1ccc(NCc2cnn(-c3ccccc3)c2)cc1 CC(=O)[*:1] c1ccc(cc1)-n1cc(cn1)CNc1ccc(cc1)[*:1]
CC(=O)c1ccc(NCc2cnn(-c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NCc1cnn(c1)[*:1]
O=c1cc(C2CCC2)nc(-c2cccc(C[NH+]3CC(O)C3)c2)[nH]1 C1CC(C1)[*:1] O=c1cc(nc([nH]1)-c1cccc(c1)C[NH+]1CC(O)C1)[*:1]
CCO[C@H]1C[C@H]1C(=O)OCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CCO[C@H]1C[C@H]1C(=O)OCc1ccc(cc1)[*:1]
CCO[C@H]1C[C@H]1C(=O)OCc1ccc(-n2cccn2)cc1 CCO[*:1] O=C(OCc1ccc(cc1)-n1cccn1)[C@@H]1C[C@@H]1[*:1]
CCc1noc(CN(C)C(=O)NCC2(c3ccc(Cl)cc3)CC2)n1 Clc1ccc(cc1)[*:1] CCc1noc(CN(C)C(=O)NCC2(CC2)[*:1])n1
CCc1noc(CN(C)C(=O)NCC2(c3ccc(Cl)cc3)CC2)n1 CCc1noc(n1)[*:1] CN(C[*:1])C(=O)NCC1(CC1)c1ccc(Cl)cc1
CCc1noc(CN(C)C(=O)NCC2(c3ccc(Cl)cc3)CC2)n1 CCc1noc(C[*:1])n1 CN(C(=O)NCC1(CC1)c1ccc(Cl)cc1)[*:1]
COC(=O)C1(NC(=O)C[C@H](C)c2ccc(F)cc2)CCSCC1 Fc1ccc(cc1)[*:1] COC(=O)C1(CCSCC1)NC(=O)C[C@H](C)[*:1]
COC(=O)C1(NC(=O)C[C@H](C)c2ccc(F)cc2)CCSCC1 COC(=O)[*:1] C[C@@H](CC(=O)NC1(CCSCC1)[*:1])c1ccc(F)cc1
CCCO[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 O=C([O-])[*:1] CCCO[C@@H]1CCC[C@]([NH3+])(C1)[*:1]
CCCO[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 CCC[*:1] [NH3+][C@@]1(CCC[C@H](C1)O[*:1])C(=O)[O-]
CCCO[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 CCCO[*:1] [NH3+][C@@]1(CCC[C@H](C1)[*:1])C(=O)[O-]
O=C(Nc1ccc(Cl)cn1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(Nc1ccc(Cl)cn1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1ccc(Cl)cn1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 O=C(Nc1ccc(Cl)cn1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(Cl)cn1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 Clc1ccc(nc1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(Cc2ccccn2)C1
O=C(NCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(NCc1ccc2OCOc2c1)c1ccc(cc1Cl)[*:1]
Cc1ccn2/c(=N/C(=O)CNC(=O)c3ccccc3)[nH]nc2c1 c1ccc(cc1)[*:1] Cc1ccn2/c(=N/C(=O)CNC(=O)[*:1])[nH]nc2c1
O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)Nc1ccc(Br)cc1F c1csc(c1)[*:1] O=C(C[C@H](N1Cc2ccccc2C1=O)[*:1])Nc1ccc(Br)cc1F
O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)Nc1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)N[*:1]
Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)N[C@@H]2C[C@@H]2[*:1])c(=O)[nH]1
Cc1ccc(OCc2ccsc2)c(C[NH2+]C(C)(C)C)n1 c1cc(cs1)C[*:1] Cc1ccc(O[*:1])c(C[NH2+]C(C)(C)C)n1
Cc1ccc(OCc2ccsc2)c(C[NH2+]C(C)(C)C)n1 CC(C)(C)[*:1] Cc1ccc(OCc2ccsc2)c(C[NH2+][*:1])n1
Cc1ccc(OCc2ccsc2)c(C[NH2+]C(C)(C)C)n1 c1cc(cs1)[*:1] Cc1ccc(OC[*:1])c(C[NH2+]C(C)(C)C)n1
CC(C)n1nccc1NC(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] CC(C)n1nccc1NC(=O)N(C)[*:1]
CC(C)n1nccc1NC(=O)N(C)CC(C)(C)O CC(C)[*:1] CN(CC(C)(C)O)C(=O)Nc1ccnn1[*:1]
CC(C)n1nccc1NC(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] CC(C)n1nccc1NC(=O)N(C)C[*:1]
O=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CC[C@@H](c2ccccc2F)C1 Fc1ccccc1[*:1] O=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CC[C@@H](C1)[*:1]
O=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CC[C@@H](c2ccccc2F)C1 Fc1ccc(cc1)[*:1] O=C([C@H]1CC(C[*:1])=NO1)N1CC[C@H](C1)c1ccccc1F
O=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CC[C@@H](c2ccccc2F)C1 Fc1ccc(cc1)C[*:1] O=C([C@H]1CC(=NO1)[*:1])N1CC[C@H](C1)c1ccccc1F
Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)CCN2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cc(C)cc(c1)[C@H](C)[NH2+][C@@H](C)CC[*:1]
Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)CCN2CCOCC2)c1 C1CN(CCO1)C[*:1] Cc1cc(C)cc(c1)[C@H](C)[NH2+][C@@H](C)C[*:1]
CC(C)NC(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CC(C)NC(=O)CC[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)N[*:1]
CC(C)NC(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CC(C)[*:1] O=C(CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)N[*:1]
CC(C)NC(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CC(C)NC(=O)C[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
CC(C)NC(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CC(C)NC(=O)[*:1] O=C(NCC[*:1])N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
CC(C)NC(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CC(C)NC(=O)CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1[*:1]
CCOc1cc(CN(C)C(=O)NC2CC2)ccc1OC(F)F FC(F)[*:1] CCOc1cc(ccc1O[*:1])CN(C)C(=O)NC1CC1
CCOc1cc(CN(C)C(=O)NC2CC2)ccc1OC(F)F C1CC1[*:1] CCOc1cc(ccc1OC(F)F)CN(C)C(=O)N[*:1]
CCOc1cc(CN(C)C(=O)NC2CC2)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(ccc1[*:1])CN(C)C(=O)NC1CC1
CCOc1cc(CN(C)C(=O)NC2CC2)ccc1OC(F)F CCO[*:1] CN(Cc1ccc(OC(F)F)c(c1)[*:1])C(=O)NC1CC1
CNC(=O)N[C@H](c1ccccc1)C(F)(F)F CNC(=O)N[*:1] FC(F)(F)[C@@H](c1ccccc1)[*:1]
CNC(=O)N[C@H](c1ccccc1)C(F)(F)F FC(F)(F)[*:1] CNC(=O)N[C@H](c1ccccc1)[*:1]
NC(=O)c1c(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)sc2c1CCCC2 Clc1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)CSc2nccn2[*:1])sc2CCCCc21
NC(=O)c1c(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)sc2c1CCCC2 NC(=O)[*:1] O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1sc2CCCCc2c1[*:1]
C[C@H](CC(=O)NC[C@H]1CCCN(c2ncccn2)C1)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CC(=O)NC[C@H]1CCCN(C1)c1ncccn1)C[*:1]
C[C@H](CC(=O)NC[C@H]1CCCN(c2ncccn2)C1)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] C[C@H](CC(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
C[C@H](CC(=O)NC[C@H]1CCCN(c2ncccn2)C1)Cc1cccc(F)c1 c1cnc(nc1)[*:1] C[C@H](CC(=O)NC[C@H]1CCCN(C1)[*:1])Cc1cccc(F)c1
Cc1ccoc1/C([O-])=N/S(=O)(=O)c1ccccc1C(F)(F)F Cc1ccoc1[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1ccccc1C(F)(F)F
Cc1ccoc1/C([O-])=N/S(=O)(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1ccoc1/C([O-])=N/S(=O)(=O)c1ccccc1[*:1]
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](COCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCC[C@@H](COC[*:1])C1
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](COCc2ccccc2)C1 c1ccc(cc1)CO[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCC[C@H](C1)C[*:1]
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](COCc2ccccc2)C1 c1ccc(cc1)COC[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCC[C@@H](C1)[*:1]
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](COCc2ccccc2)C1 FC(F)(F)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@@H](COCc2ccccc2)C1
O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](COCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCC[C@@H](CO[*:1])C1
O=C(C1CC=CC1)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(C1CC=CC1)N1C[C@H](O)C[C@@H]1c1ccc(cc1)[*:1]
CC(C)[C@@H](NC(=O)CN1C(=O)CNC1=O)c1nc2ccccc2[nH]1 O=C1CNC(=O)N1[*:1] CC(C)[C@@H](NC(=O)C[*:1])c1nc2ccccc2[nH]1
CC(C)[C@@H](NC(=O)CN1C(=O)CNC1=O)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(CN1C(=O)CNC1=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)[C@@H](NC(=O)CN1C(=O)CNC1=O)c1nc2ccccc2[nH]1 O=C1CNC(=O)N1C[*:1] CC(C)[C@@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
C[C@H]1Cc2ccc(CNS(=O)(=O)c3c[nH]cn3)cc2N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1Cc2ccc(cc2N1C(=O)[*:1])CNS(=O)(=O)c1c[nH]cn1
COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1cnccn1 COC(=O)[*:1] O=C(N[C@@H](CC1C[NH+]=c2ccccc2=1)[*:1])c1cnccn1
COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1cnccn1 c1cnc(cn1)[*:1] COC(=O)[C@H](CC1C[NH+]=c2ccccc2=1)NC(=O)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)Nc1ccc(C)c(C)c1 O=S(=O)(N1CCCCC1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C(=O)Nc1ccc(C)c(C)c1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)Nc1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C(=O)N[*:1])S(=O)(=O)N1CCCCC1
Cc1cc(C(=O)Nc2ccccc2S(C)(=O)=O)no1 CS(=O)(=O)[*:1] Cc1cc(no1)C(=O)Nc1ccccc1[*:1]
Cc1cc(C(=O)Nc2ccccc2S(C)(=O)=O)no1 Cc1cc(no1)[*:1] CS(=O)(=O)c1ccccc1NC(=O)[*:1]
c1ccc(-c2noc(C3CC[NH+](Cc4cc(-c5ccccc5)[nH]n4)CC3)n2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1noc(n1)C1CC[NH+](CC1)Cc1cc([nH]n1)[*:1]
c1ccc(-c2noc(C3CC[NH+](Cc4cc(-c5ccccc5)[nH]n4)CC3)n2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1cc(C[NH+]2CCC(CC2)c2nc(no2)[*:1])n[nH]1
C=CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1C)C1=C(COC1=O)N2 C=CC[*:1] Cc1ccccc1[C@H]1C2C(=O)OCC=2Nc2c1c(=O)[nH]c(=O)n2[*:1]
C=CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1C)C1=C(COC1=O)N2 Cc1ccccc1[*:1] C=CCn1c2NC3COC(=O)C=3[C@H](c2c(=O)[nH]c1=O)[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCC[C@@]2(C)CO)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)N[C@H]1CCC[C@@]1(C)CO)[*:1]
CCc1cnc(CN(C)C(=O)NC2CCCC2)s1 C1CCC(C1)[*:1] CCc1cnc(CN(C)C(=O)N[*:1])s1
O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)Nc1ccc2c(c1)OCO2 C1CC1[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)[*:1])Nc1ccc2OCOc2c1
CC(C)n1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)n1 CC(C)n1ccc(n1)[*:1] CN(C)S(=O)(=O)c1ccc2nc(NC(=O)[*:1])sc2c1
CC(C)n1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)n1 CN(C)S(=O)(=O)[*:1] CC(C)n1ccc(n1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CC(C)n1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)n1 CC(C)[*:1] CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccn(n3)[*:1])sc2c1
O=c1c2ccsc2ncn1C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=c1c2ccsc2ncn1C[C@@H](O)COc1ccc(cc1)[*:1]
O=c1c2ccsc2ncn1C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=c1c2ccsc2ncn1C[C@@H](O)COc1ccc(cc1)O[*:1]
CCOc1ccc(-c2noc(CCC(=O)N3CCN(C)C[C@H]3c3ccccc3)n2)cc1 CCOc1ccc(cc1)[*:1] CN1CCN(C(=O)CCc2nc(no2)[*:1])[C@@H](C1)c1ccccc1
CCOc1ccc(-c2noc(CCC(=O)N3CCN(C)C[C@H]3c3ccccc3)n2)cc1 CCO[*:1] CN1CCN(C(=O)CCc2nc(no2)-c2ccc(cc2)[*:1])[C@@H](C1)c1ccccc1
CCOc1ccc(-c2noc(CCC(=O)N3CCN(C)C[C@H]3c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1noc(CCC(=O)N2CCN(C)C[C@@H]2[*:1])n1
O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(F)cc3)cc2o1 Fc1ccc(cc1)[*:1] O=c1cc(c2ccc(cc2o1)OC[*:1])C(F)(F)F
O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(F)cc3)cc2o1 Fc1ccc(cc1)C[*:1] O=c1cc(c2ccc(cc2o1)O[*:1])C(F)(F)F
O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(F)cc3)cc2o1 FC(F)(F)[*:1] O=c1cc(c2ccc(cc2o1)OCc1ccc(F)cc1)[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)c1cn[nH]c1C Cc1[nH]ncc1[*:1] CC(=O)C[C@H]1CCCCN1C(=O)[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)c1cn[nH]c1C CC(=O)[*:1] Cc1[nH]ncc1C(=O)N1CCCC[C@@H]1C[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)c1cn[nH]c1C CC(=O)C[*:1] Cc1[nH]ncc1C(=O)N1CCCC[C@@H]1[*:1]
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)NN1C(=O)NC2(CCCCC2)C1=O C1CC1[*:1] O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1[*:1])NN1C(=O)NC2(CCCCC2)C1=O
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)NN1C(=O)NC2(CCCCC2)C1=O c1ccc2c(c[nH]c2c1)[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])NN1C(=O)NC2(CCCCC2)C1=O
Cc1ccc([C@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1C[NH2+]CC[C@H]1[*:1]
CN(C)C(=O)c1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1 CN(C)C(=O)[*:1] O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(cc1)[*:1]
CN(C)C(=O)c1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)CSC(c1ccccc1)[*:1]
CCC[NH2+][C@@H](c1ccc(Br)o1)c1ccoc1C CCC[*:1] Cc1occc1[C@@H]([NH2+][*:1])c1ccc(Br)o1
Cc1cc(NC(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)no1 Cc1cc(no1)[*:1] C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)no1 Cc1cc(no1)NC(=O)[*:1] C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)[*:1]
Cc1cc(NC(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)no1 c1ccc2c(c[nH]c2c1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)Sc1nnc(n1C1CC1)[*:1]
Cc1cc(NC(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)no1 C1CC1[*:1] Cc1cc(no1)NC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1[*:1]
COC(C)(C)CNc1nc(-c2cccnc2)nc(C)c1C COC(C)(C)CN[*:1] Cc1nc(nc(c1C)[*:1])-c1cccnc1
COC(C)(C)CNc1nc(-c2cccnc2)nc(C)c1C COC(C)(C)C[*:1] Cc1nc(nc(N[*:1])c1C)-c1cccnc1
COC(C)(C)CNc1nc(-c2cccnc2)nc(C)c1C COC(C)(C)[*:1] Cc1nc(nc(NC[*:1])c1C)-c1cccnc1
COC(C)(C)CNc1nc(-c2cccnc2)nc(C)c1C c1cncc(c1)[*:1] COC(C)(C)CNc1nc(nc(C)c1C)[*:1]
CC[C@](C)(NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)N1CC[C@H](C1)[NH+]1CCCCC1)[*:1]
CC[C@](C)(NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C(=O)[O-] CC[C@](C)(C(=O)[O-])[*:1] O=C(N[*:1])N1CC[C@H](C1)[NH+]1CCCCC1
CC(C)[NH2+][C@@]1(C[NH3+])CCCC1(C)C CC(C)[NH2+][*:1] CC1(C)CCC[C@@]1(C[NH3+])[*:1]
CC(C)[NH2+][C@@]1(C[NH3+])CCCC1(C)C CC(C)[*:1] CC1(C)CCC[C@]1(C[NH3+])[NH2+][*:1]
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cn(C)nc2C)n2ncnc2N1 Cc1nn(C)cc1[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)Nc1ccc(C)cc1C)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cn(C)nc2C)n2ncnc2N1 Cc1ccc(c(C)c1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)N[*:1])c1cn(C)nc1C
CC(=O)N1CCN(Cc2cc(N(C)Cc3cc4ccccc4o3)cc[nH+]2)CC1 c1ccc2oc(cc2c1)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N(C)C[*:1]
CC(=O)N1CCN(Cc2cc(N(C)Cc3cc4ccccc4o3)cc[nH+]2)CC1 CC(=O)N1CCN(CC1)[*:1] CN(Cc1cc2ccccc2o1)c1cc[nH+]c(c1)C[*:1]
C[NH+](C)CCNC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccco1)CC2=O c1coc(c1)[*:1] C[NH+](C)CCNC(=O)c1cc2C(=O)C[C@H](Cc2[nH]c1=O)[*:1]
CCn1c(-c2ccccc2OC)nnc1[S@](=O)CCc1ccccc1 c1ccc(cc1)CC[*:1] CCn1c(nnc1[S@](=O)[*:1])-c1ccccc1OC
CCn1c(-c2ccccc2OC)nnc1[S@](=O)CCc1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[S@](=O)CC[*:1])-c1ccccc1OC
CCn1c(-c2ccccc2OC)nnc1[S@](=O)CCc1ccccc1 c1ccc(cc1)C[*:1] CCn1c(nnc1[S@](=O)C[*:1])-c1ccccc1OC
CCn1c(-c2ccccc2OC)nnc1[S@](=O)CCc1ccccc1 COc1ccccc1[*:1] CCn1c(nnc1[*:1])[S@](=O)CCc1ccccc1
N=c1n(CCc2ccccc2)c2ccccc2n1Cc1ccccc1F c1ccc(cc1)CC[*:1] N=c1n(Cc2ccccc2F)c2ccccc2n1[*:1]
N=c1n(CCc2ccccc2)c2ccccc2n1Cc1ccccc1F Fc1ccccc1C[*:1] N=c1n(CCc2ccccc2)c2ccccc2n1[*:1]
N=c1n(CCc2ccccc2)c2ccccc2n1Cc1ccccc1F c1ccc(cc1)C[*:1] N=c1n(Cc2ccccc2F)c2ccccc2n1C[*:1]
N=c1n(CCc2ccccc2)c2ccccc2n1Cc1ccccc1F Fc1ccccc1[*:1] N=c1n(CCc2ccccc2)c2ccccc2n1C[*:1]
N=c1n(CCc2ccccc2)c2ccccc2n1Cc1ccccc1F c1ccc(cc1)[*:1] N=c1n(CC[*:1])c2ccccc2n1Cc1ccccc1F
C[C@H]1CCC[C@H](S[C@@H]2CCC[C@]([NH3+])(C(=O)[O-])C2)C1 O=C([O-])[*:1] C[C@H]1CCC[C@@H](C1)S[C@@H]1CCC[C@]([NH3+])(C1)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 Cc1nn(C)c(C)c1[*:1] O=C(Nc1ccc2nc([nH]c2c1)-c1cccc(F)c1)C(=O)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 Fc1cccc(c1)[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc2nc([nH]c2c1)[*:1]
Cc1ccc(-n2nnnc2SCC(=O)N(C)Cc2ccsc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN(Cc1ccsc1)C(=O)CSc1nnnn1[*:1]
Cc1ccc(-n2nnnc2SCC(=O)N(C)Cc2ccsc2)c(C)c1 c1cc(cs1)[*:1] Cc1ccc(c(C)c1)-n1nnnc1SCC(=O)N(C)C[*:1]
Cc1ccc(-n2nnnc2SCC(=O)N(C)Cc2ccsc2)c(C)c1 c1cc(cs1)C[*:1] Cc1ccc(c(C)c1)-n1nnnc1SCC(=O)N(C)[*:1]
CC(C)NC(=O)CNC(=O)c1cc(Cl)ccn1 CC(C)[*:1] O=C(CNC(=O)c1cc(Cl)ccn1)N[*:1]
COCCN(Cc1cccnc1)C(=O)Nc1cccc(C(F)(F)F)c1 COCC[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N(Cc1cccnc1)[*:1]
COCCN(Cc1cccnc1)C(=O)Nc1cccc(C(F)(F)F)c1 c1cncc(c1)C[*:1] COCCN(C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
COCCN(Cc1cccnc1)C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COCCN(Cc1cccnc1)C(=O)Nc1cccc(c1)[*:1]
COCCN(Cc1cccnc1)C(=O)Nc1cccc(C(F)(F)F)c1 c1cncc(c1)[*:1] COCCN(C[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
COCCN(Cc1cccnc1)C(=O)Nc1cccc(C(F)(F)F)c1 COC[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N(Cc1cccnc1)C[*:1]
CSc1n[nH]c2ncnc(NCCn3cc(Cl)cn3)c12 Clc1cnn(c1)[*:1] CSc1n[nH]c2ncnc(NCC[*:1])c12
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(Br)c1 COC(=O)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1ccccc1[*:1])c1cccc(Br)c1
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1[*:1]
CC[C@@H](CSC)N(C)C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 CSC[*:1] CC[C@@H](N(C)C(=O)c1cccc2NC(=O)[C@H](C)Oc21)[*:1]
O=C(NCCC(=O)N1CCN(Cc2cccc3cccnc23)CC1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CCNC(=O)[*:1])N1CCN(CC1)Cc1cccc2cccnc12
O=C(NCCC(=O)N1CCN(Cc2cccc3cccnc23)CC1)c1ccc(F)cc1F c1cnc2c(cccc2c1)[*:1] O=C(NCCC(=O)N1CCN(CC1)C[*:1])c1ccc(F)cc1F
CN(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CCc2ccccc2C1 N#CCO[*:1] CN(C(=O)Cc1cccc(c1)[*:1])[C@@H]1CCc2ccccc2C1
CN(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CCc2ccccc2C1 N#CC[*:1] CN(C(=O)Cc1cccc(c1)O[*:1])[C@@H]1CCc2ccccc2C1
COc1ccc(C2=NO[C@H](C(=O)Nc3cccnc3)C2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)C1C[C@H](ON=1)C(=O)N[*:1]
CCCCn1c([O-])c(C(=O)c2cc(Cl)c(OC)c(Cl)c2)c(C)c(C#N)c1=O CCC[*:1] COc1c(Cl)cc(cc1Cl)C(=O)c1c(C)c(C#N)c(=O)n(C[*:1])c1[O-]
CCCCn1c([O-])c(C(=O)c2cc(Cl)c(OC)c(Cl)c2)c(C)c(C#N)c1=O CCCC[*:1] COc1c(Cl)cc(cc1Cl)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
CCOc1cc(C=O)ccc1OC(=O)CCl O=C(CCl)O[*:1] CCOc1cc(C=O)ccc1[*:1]
CCOc1cc(C=O)ccc1OC(=O)CCl CCO[*:1] O=Cc1ccc(OC(=O)CCl)c(c1)[*:1]
CCN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)cc21 COc1ccc(cc1)[*:1] CCN1C(=O)COc2ccc(cc21)NC(=O)c1cc(on1)[*:1]
COC(=O)[C@H](C)NC(=O)c1sc(-n2nc(C)cc2C)nc1C Cc1cc(C)n(n1)[*:1] COC(=O)[C@H](C)NC(=O)c1sc(nc1C)[*:1]
COC(=O)[C@H](C)NC(=O)c1sc(-n2nc(C)cc2C)nc1C COC(=O)[C@H](C)[*:1] Cc1cc(C)n(n1)-c1nc(C)c(s1)C(=O)N[*:1]
COC(=O)[C@H](C)NC(=O)c1sc(-n2nc(C)cc2C)nc1C COC(=O)[*:1] Cc1cc(C)n(n1)-c1nc(C)c(s1)C(=O)N[C@@H](C)[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)NCc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCc1cccc(c1)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(n1)[*:1]
COc1cccc(NC(=O)CCc2c(C)[nH]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-c1csc(n1)-n1[nH]c(C)c(CCC(=O)N[*:1])c1=O
COc1cccc(NC(=O)CCc2c(C)[nH]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CCc1c(C)[nH]n(-c2nc(cs2)[*:1])c1=O
C[C@H](Sc1ccccn1)C(=O)N1CCN(c2ncccc2C#N)CC1 c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)N1CCN(CC1)c1ncccc1C#N
C[C@H](Sc1ccccn1)C(=O)N1CCN(c2ncccc2C#N)CC1 N#Cc1cccnc1[*:1] C[C@H](Sc1ccccn1)C(=O)N1CCN(CC1)[*:1]
C[C@H](Sc1ccccn1)C(=O)N1CCN(c2ncccc2C#N)CC1 c1ccc(nc1)S[*:1] C[C@H](C(=O)N1CCN(CC1)c1ncccc1C#N)[*:1]
CC[NH2+][C@@H]1[C@H](S(=O)(=O)CC(C)C)CCC1(C)C CC(C)[*:1] CC[NH2+][C@@H]1[C@@H](CCC1(C)C)S(=O)(=O)C[*:1]
CC[NH2+][C@@H]1[C@H](S(=O)(=O)CC(C)C)CCC1(C)C CC(C)C[*:1] CC[NH2+][C@@H]1[C@@H](CCC1(C)C)S(=O)(=O)[*:1]
Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC(=O)NC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@@H](C)N[C@H](C)C(=O)NC(=O)N[*:1]
Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC(=O)NC(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)NC(=O)[C@@H](C)N[C@H](C)[*:1]
C[C@H](Sc1nnc(N)s1)C(=O)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(N)s1)C(=O)N(Cc1ccccc1)C[*:1]
C[C@H](Sc1nnc(N)s1)C(=O)N(Cc1ccccc1)Cc1ccccc1 Nc1nnc(s1)[*:1] C[C@H](S[*:1])C(=O)N(Cc1ccccc1)Cc1ccccc1
C[C@H](Sc1nnc(N)s1)C(=O)N(Cc1ccccc1)Cc1ccccc1 Nc1nnc(S[*:1])s1 C[C@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)[*:1]
C[C@H](Sc1nnc(N)s1)C(=O)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Sc1nnc(N)s1)C(=O)N(Cc1ccccc1)[*:1]
C[NH2+]CC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(SC)cc4)ccc3NC(=O)[C@@H]2C1 CSc1ccc(cc1)[*:1] C[NH2+]CC(=O)N[C@H]1CCN2C(=O)c3cc(ccc3NC(=O)[C@@H]2C1)[*:1]
CCC[C@H]([NH2+]Cc1ccnn1C)c1ccccn1 CCC[*:1] Cn1nccc1C[NH2+][C@H](c1ccccn1)[*:1]
CCC[C@H]([NH2+]Cc1ccnn1C)c1ccccn1 Cn1nccc1[*:1] CCC[C@H]([NH2+]C[*:1])c1ccccn1
CCC[C@H]([NH2+]Cc1ccnn1C)c1ccccn1 c1ccc(nc1)[*:1] CCC[C@H]([NH2+]Cc1ccnn1C)[*:1]
C[C@H]1CN(C(=O)CSc2nnc(C3CC3)n2C)C[C@H](C)O1 C1CC1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)CSc1nnc(n1C)[*:1]
Cc1cscc1-c1noc([C@@H]2CCCCCC2=O)n1 Cc1cscc1[*:1] O=C1CCCCC[C@H]1c1nc(no1)[*:1]
NC(=O)[C@H]1CC[C@@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)O1 NC(=O)[*:1] c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C[C@@H]1CC[C@@H](O1)[*:1]
NC(=O)[C@@H]1COCCN1C(=O)c1ccc(C2CCCCC2)cc1 NC(=O)[*:1] O=C(c1ccc(cc1)C1CCCCC1)N1CCOC[C@H]1[*:1]
NC(=O)[C@@H]1COCCN1C(=O)c1ccc(C2CCCCC2)cc1 C1CCC(CC1)[*:1] NC(=O)[C@@H]1COCCN1C(=O)c1ccc(cc1)[*:1]
COC(=O)CNC(=O)[C@H]1CCCN(C(=O)[C@H]2C=c3ccccc3=[NH+]2)C1 COC(=O)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)[C@H]1C=c2ccccc2=[NH+]1
COC(=O)CNC(=O)[C@H]1CCCN(C(=O)[C@H]2C=c3ccccc3=[NH+]2)C1 COC(=O)CNC(=O)[*:1] O=C([C@H]1C=c2ccccc2=[NH+]1)N1CCC[C@@H](C1)[*:1]
COC(=O)CNC(=O)[C@H]1CCCN(C(=O)[C@H]2C=c3ccccc3=[NH+]2)C1 COC(=O)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)[C@H]1C=c2ccccc2=[NH+]1
CCOC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1C CCOC(=O)CS[*:1] Cc1ccc(c(C)c1)-n1ncc2c(ncnc21)[*:1]
CCOC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1C CCOC(=O)C[*:1] Cc1ccc(c(C)c1)-n1ncc2c(ncnc21)S[*:1]
CCOC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1C CCOC(=O)[*:1] Cc1ccc(c(C)c1)-n1ncc2c(ncnc21)SC[*:1]
CCOC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCOC(=O)CSc1ncnc2c1cnn2[*:1]
O=C(CSc1nnnn1C1CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 C1CC1n1nnnc1[*:1] O=C(CS[*:1])N1CCO[C@H](C1)c1ccc(Br)cc1
O=C(CSc1nnnn1C1CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 C1CC1[*:1] O=C(CSc1nnnn1[*:1])N1CCO[C@H](C1)c1ccc(Br)cc1
O=C(CSc1nnnn1C1CC1)N1CCO[C@@H](c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] O=C(CSc1nnnn1C1CC1)N1CCO[C@@H](C1)[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)[C@@H]1CCCC[C@H]1[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 CN(C)S(=O)(=O)[*:1] O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
COCC(=O)Nc1cccc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)c1 COC[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(c1)NC(=O)[*:1]
COCC(=O)Nc1cccc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)c1 COCC(=O)N[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(NCCC(=O)c2cccs2)cc1F c1csc(c1)[*:1] Cc1ccc(cc1F)NCCC(=O)[*:1]
O=C(NC[C@@H]1CC[C@@H](C(=O)[O-])O1)c1cccc(O)c1 O=C([O-])[*:1] O=C(NC[C@@H]1CC[C@@H](O1)[*:1])c1cccc(O)c1
Cn1nccc1C[NH+]1CCC(Nc2ccccc2F)CC1 Fc1ccccc1[*:1] Cn1nccc1C[NH+]1CCC(CC1)N[*:1]
Cn1nccc1C[NH+]1CCC(Nc2ccccc2F)CC1 Cn1nccc1C[*:1] Fc1ccccc1NC1CC[NH+](CC1)[*:1]
Cn1nccc1C[NH+]1CCC(Nc2ccccc2F)CC1 Cn1nccc1[*:1] Fc1ccccc1NC1CC[NH+](CC1)C[*:1]
Cc1cc(C(F)F)c2c(C)nn(Cc3ccccc3Cl)c2n1 Clc1ccccc1[*:1] Cc1cc(c2c(C)nn(C[*:1])c2n1)C(F)F
Cc1cc(C(F)F)c2c(C)nn(Cc3ccccc3Cl)c2n1 FC(F)[*:1] Cc1cc(c2c(C)nn(Cc3ccccc3Cl)c2n1)[*:1]
Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)c2cccc(Cn3cccn3)c2)C1 c1cnn(c1)[*:1] Cc1cnc(nc1[C@@H]1CCCN(C1)C(=O)c1cccc(c1)C[*:1])SC[C@@H]1CCCO1
Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)c2cccc(Cn3cccn3)c2)C1 c1cnn(c1)C[*:1] Cc1cnc(nc1[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1])SC[C@@H]1CCCO1
C[C@@H](Nc1ncccc1[N+](=O)[O-])C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](Nc1ncccc1[N+](=O)[O-])C(=O)N[*:1]
C[C@@H](Nc1ncccc1[N+](=O)[O-])C(=O)NC1CCCC1 O=[N+]([O-])[*:1] C[C@@H](Nc1ncccc1[*:1])C(=O)NC1CCCC1
Cc1ccc(-n2c(SCc3nc(CC(C)C)no3)nnc2N2CCCC2)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCc1nc(CC(C)C)no1
Cc1ccc(-n2c(SCc3nc(CC(C)C)no3)nnc2N2CCCC2)cc1 CC(C)C[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCCC1)SCc1nc(no1)[*:1]
Cc1ccc(-n2c(SCc3nc(CC(C)C)no3)nnc2N2CCCC2)cc1 CC(C)Cc1noc(n1)[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCCC1)SC[*:1]
Cc1ccc(-n2c(SCc3nc(CC(C)C)no3)nnc2N2CCCC2)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCCC1)SCc1nc(C[*:1])no1
Cc1ccc(-n2c(SCc3nc(CC(C)C)no3)nnc2N2CCCC2)cc1 Cc1ccc(cc1)[*:1] CC(C)Cc1noc(CSc2nnc(N3CCCC3)n2[*:1])n1
CC(C)C[NH+](CC(C)C)[C@H]1CC[C@@](C#N)(NC2CC2)C1 CC(C)[*:1] CC(C)C[NH+](C[*:1])[C@H]1CC[C@](C#N)(C1)NC1CC1
CC(C)C[NH+](CC(C)C)[C@H]1CC[C@@](C#N)(NC2CC2)C1 C1CC1[*:1] CC(C)C[NH+](CC(C)C)[C@H]1CC[C@](C#N)(C1)N[*:1]
CC(C)C[NH+](CC(C)C)[C@H]1CC[C@@](C#N)(NC2CC2)C1 CC(C)C[*:1] CC(C)C[NH+]([C@H]1CC[C@](C#N)(C1)NC1CC1)[*:1]
CC(C)C[NH+](CC(C)C)[C@H]1CC[C@@](C#N)(NC2CC2)C1 C1CC1N[*:1] CC(C)C[NH+](CC(C)C)[C@H]1CC[C@@](C#N)(C1)[*:1]
C[C@H](CC(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H](CC(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC(=O)[*:1]
C[C@H](CC(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 C[C@H](CC(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[*:1]
CC(C)(O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 CC(C)(O)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1cccs1
CC(C)(O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 CC(C)(O)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1cccs1
CC(C)(O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 c1csc(c1)[*:1] CC(C)(O)CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COC1CC[NH+](CCNS(=O)(=O)c2cn(C)cn2)CC1 Cn1cnc(c1)[*:1] COC1CC[NH+](CCNS(=O)(=O)[*:1])CC1
CC(C)[C@@H](CS)COc1cccc(F)c1 CC(C)[*:1] Fc1cccc(c1)OC[C@H](CS)[*:1]
C[C@H]1CCCCN1C(=O)CNc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H]1CCCCN1C(=O)CNc1ccc(Cl)c(c1)[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)Nc1cc(-c2ccccc2)on1 COc1ccccc1[*:1] C[C@H](N(C)C(=O)Nc1cc(on1)-c1ccccc1)[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)Nc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] COc1ccccc1[C@H](C)N(C)C(=O)Nc1cc(on1)[*:1]
C[C@H]1CCCN(/C(N)=[NH+]/Cc2cc[nH+]c(N3CCO[C@H](C)C3)c2)C1 C[C@@H]1CN(CCO1)[*:1] C[C@H]1CCCN(C1)/C(N)=[NH+]/Cc1cc[nH+]c(c1)[*:1]
CC(C)(C)C(=O)N1CCN(C(=O)c2cnn3c2OCCC3)CC1 CC(C)(C)[*:1] O=C(c1cnn2CCCOc12)N1CCN(CC1)C(=O)[*:1]
Cc1cc([C@H](C)NC(=O)N2CCN(Cc3cccnc3)CC2)c(C)o1 c1cncc(c1)C[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)N1CCN(CC1)[*:1]
Cc1cc([C@H](C)NC(=O)N2CCN(Cc3cccnc3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](NC(=O)N1CCN(CC1)Cc1cccnc1)[*:1]
Cc1cc([C@H](C)NC(=O)N2CCN(Cc3cccnc3)CC2)c(C)o1 c1cncc(c1)[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)N1CCN(CC1)C[*:1]
Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1[*:1]
CCC[NH2+]C1CCC(NC(=O)c2ccc(C)cc2F)CC1 CCC[*:1] Cc1ccc(C(=O)NC2CCC(CC2)[NH2+][*:1])c(F)c1
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1csc2ccccc12 CC(C)(C)C(=O)N[*:1] C[C@@H](C(=O)NCc1csc2ccccc12)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1csc2ccccc12 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NCc1csc2ccccc12
O=C(NCCCO[C@@H]1CCCc2ccccc21)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCCO[C@@H]1CCCc2ccccc21)[*:1]
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1nc(cn1CC(=O)N[C@@H]1CCC[C@H]1c1ccccc1[*:1])[N+](=O)[O-]
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F Cc1nc(cn1[*:1])[N+](=O)[O-] O=C(C[*:1])N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F O=[N+]([O-])[*:1] Cc1nc(cn1CC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[*:1]
CC(C)[C@@H](CCO)[NH2+]Cc1cn(C)nc1C(C)(C)C CC(C)[*:1] Cn1cc(C[NH2+][C@H](CCO)[*:1])c(n1)C(C)(C)C
CC(C)[C@@H](CCO)[NH2+]Cc1cn(C)nc1C(C)(C)C CC(C)(C)[*:1] CC(C)[C@@H](CCO)[NH2+]Cc1cn(C)nc1[*:1]
CC(C)[C@@H](CCO)[NH2+]Cc1cn(C)nc1C(C)(C)C OCC[*:1] CC(C)[C@@H]([NH2+]Cc1cn(C)nc1C(C)(C)C)[*:1]
COCc1nn2c(=O)c3c([nH]c2c1-c1ccccc1)CCC3 COC[*:1] O=c1c2CCCc2[nH]c2c(-c3ccccc3)c(nn12)[*:1]
COCc1nn2c(=O)c3c([nH]c2c1-c1ccccc1)CCC3 c1ccc(cc1)[*:1] COCc1nn2c(=O)c3CCCc3[nH]c2c1[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCO[C@H](c3ccccc3)C2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CCO[C@H](C1)[*:1]
O=C(CSCc1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 c1ccc(cc1)[*:1] O=C(CSC[*:1])Nc1nnc(Cc2ccc(Cl)cc2Cl)s1
O=C(CSCc1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 c1ccc(cc1)C[*:1] O=C(CS[*:1])Nc1nnc(Cc2ccc(Cl)cc2Cl)s1
O=C(CSCc1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 Clc1ccc(c(Cl)c1)[*:1] O=C(CSCc1ccccc1)Nc1nnc(C[*:1])s1
O=C(CSCc1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 c1ccc(cc1)CS[*:1] O=C(C[*:1])Nc1nnc(Cc2ccc(Cl)cc2Cl)s1
Cc1ccc(CCCC(=O)N2CCc3ccccc3CC2)s1 Cc1ccc(C[*:1])s1 O=C(CC[*:1])N1CCc2ccccc2CC1
Cc1ccc(CCCC(=O)N2CCc3ccccc3CC2)s1 Cc1ccc(s1)[*:1] O=C(CCC[*:1])N1CCc2ccccc2CC1
CC(C)[NH+](CCCNC1=[NH+]CCN1)C(C)C CC(C)[*:1] CC(C)[NH+](CCCNC1NCC[NH+]=1)[*:1]
COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cccnc1Cl Clc1ncccc1[*:1] COc1ccc(cc1NC(=O)[*:1])C(=O)N(C)C
COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cccnc1Cl CN(C)C(=O)[*:1] COc1ccc(cc1NC(=O)c1cccnc1Cl)[*:1]
O=C(CNC(=O)c1ccc2sncc2c1)NCC1CCCCC1 C1CCC(CC1)C[*:1] O=C(CNC(=O)c1ccc2sncc2c1)N[*:1]
O=C(CNC(=O)c1ccc2sncc2c1)NCC1CCCCC1 C1CCC(CC1)[*:1] O=C(CNC(=O)c1ccc2sncc2c1)NC[*:1]
Cc1cccnc1NC(=O)c1ccn(Cn2nc(C)c(Br)c2C)n1 Cc1cccnc1[*:1] Cc1nn(Cn2ccc(n2)C(=O)N[*:1])c(C)c1Br
Cc1cccnc1NC(=O)c1ccn(Cn2nc(C)c(Br)c2C)n1 Cc1nn(c(C)c1Br)[*:1] Cc1cccnc1NC(=O)c1ccn(C[*:1])n1
CC(C)(C)CC[NH+]1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1 CC(C)(C)[*:1] O=c1[nH]c(CN2CC[NH+](CC2)CC[*:1])nc2ccsc12
CC(C)(C)CC[NH+]1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1 CC(C)(C)CC[*:1] O=c1[nH]c(CN2CC[NH+](CC2)[*:1])nc2ccsc12
CC(C)(C)CC[NH+]1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1 CC(C)(C)C[*:1] O=c1[nH]c(CN2CC[NH+](CC2)C[*:1])nc2ccsc12
Cc1ccc(S(=O)(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1Cl c1csc(c1)[*:1] Cc1ccc(cc1Cl)S(=O)(=O)NCC[NH+]1CCC(CC1)[*:1]
Cc1ccc(S(=O)(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=S(=O)(NCC[NH+]1CCC(CC1)c1cccs1)[*:1]
CC1CC(NC(=O)c2ccn(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] CC1CC(C1)NC(=O)c1ccn(n1)[*:1]
CC1CC(NC(=O)c2ccn(-c3ccccc3)n2)C1 CC1CC(C1)[*:1] O=C(N[*:1])c1ccn(n1)-c1ccccc1
CSc1ccc(C(=O)Oc2ccccc2F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CSc1ccc(cc1[*:1])C(=O)Oc1ccccc1F
CSc1ccc(C(=O)Oc2ccccc2F)cc1[N+](=O)[O-] Fc1ccccc1[*:1] CSc1ccc(cc1[N+](=O)[O-])C(=O)O[*:1]
O=C1CN(C(=O)c2ccccn2)C[C@@H](OCc2cccnc2)CN1CC1CCOCC1 c1ccc(nc1)[*:1] O=C1CN(C[C@H](CN1CC1CCOCC1)OCc1cccnc1)C(=O)[*:1]
O=C1CN(C(=O)c2ccccn2)C[C@@H](OCc2cccnc2)CN1CC1CCOCC1 c1cncc(c1)[*:1] O=C1CN(C[C@H](CN1CC1CCOCC1)OC[*:1])C(=O)c1ccccn1
O=C1CN(C(=O)c2ccccn2)C[C@@H](OCc2cccnc2)CN1CC1CCOCC1 c1cncc(c1)CO[*:1] O=C1CN(C[C@@H](CN1CC1CCOCC1)[*:1])C(=O)c1ccccn1
O=C1CN(C(=O)c2ccccn2)C[C@@H](OCc2cccnc2)CN1CC1CCOCC1 C1CC(CCO1)C[*:1] O=C(c1ccccn1)N1CC(=O)N(C[C@@H](C1)OCc1cccnc1)[*:1]
O=C1CN(C(=O)c2ccccn2)C[C@@H](OCc2cccnc2)CN1CC1CCOCC1 c1cncc(c1)C[*:1] O=C1CN(C[C@H](CN1CC1CCOCC1)O[*:1])C(=O)c1ccccn1
O=C1CN(C(=O)c2ccccn2)C[C@@H](OCc2cccnc2)CN1CC1CCOCC1 C1CC(CCO1)[*:1] O=C1CN(C[C@H](CN1C[*:1])OCc1cccnc1)C(=O)c1ccccn1
CCN(CC#N)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCN(CC#N)C(=O)C[C@H](C)c1cccc(c1)[*:1]
CCN(CC#N)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 N#CC[*:1] CCN(C(=O)C[C@H](C)c1cccc(c1)C(F)(F)F)[*:1]
COc1nc(C)cc(C)c1CNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C Fc1ccccc1[*:1] COc1nc(C)cc(C)c1CNC(=O)[C@@H](NC(=O)[*:1])C(C)C
COc1nc(C)cc(C)c1CNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C CC(C)[*:1] COc1nc(C)cc(C)c1CNC(=O)[C@@H](NC(=O)c1ccccc1F)[*:1]
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(C)c2)NC(=S)N1 CCOC(=O)[*:1] CCCC1NC(=S)N[C@@H](C=1[*:1])c1cccc(C)c1
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(C)c2)NC(=S)N1 CCC[*:1] CCOC(=O)C1=C(NC(=S)N[C@@H]1c1cccc(C)c1)[*:1]
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(C)c2)NC(=S)N1 Cc1cccc(c1)[*:1] CCCC1NC(=S)N[C@H](C=1C(=O)OCC)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)CCN2CC[S@](=O)C(C)(C)C2)cc1 CC(C)(C)[*:1] CC1(C)CN(CC[S@@]1=O)CCS(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] CCO[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCOc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])C(=O)N1C[C@H](C)O[C@@H](C)C1
COc1ccc(C(=O)Nc2nc(/C(C)=N/O)cs2)cc1O CC(=NO)[*:1] COc1ccc(cc1O)C(=O)Nc1nc(cs1)[*:1]
CO[C@@H]1CCCN(C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)C1 CC(C)(C)[*:1] CO[C@@H]1CCCN(C1)C(=O)N[C@@H](C)c1nc(no1)[*:1]
O=C(CC1CCCC1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 FC(F)[*:1] O=C(CC1CCCC1)N1CCC(CC1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
O=C(CC1CCCC1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 C1CCC(C1)C[*:1] O=C(N1CCC(CC1)[C@@H]1C[C@H](C(F)F)n2ncnc2N1)[*:1]
O=C(CC1CCCC1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 C1CCC(C1)[*:1] O=C(C[*:1])N1CCC(CC1)[C@@H]1C[C@H](C(F)F)n2ncnc2N1
COc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)c1 COc1cccc(c1)[*:1] Cc1ccccc1N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])s1
COc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)c1 Cc1ccccc1[*:1] COc1cccc(c1)C(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
CCC1(CNC(=O)C(=O)Nc2ccc(OC)nc2Br)CC1 CCC1(CC1)[*:1] COc1ccc(NC(=O)C(=O)NC[*:1])c(Br)n1
CCC1(CNC(=O)C(=O)Nc2ccc(OC)nc2Br)CC1 CCC1(CC1)C[*:1] COc1ccc(NC(=O)C(=O)N[*:1])c(Br)n1
COC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1 COC(=O)[*:1] O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1F Cc1ccc(cc1F)[*:1] CN(C)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1 COc1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1 CC(=O)c1cccc(c1)[*:1] COc1ccccc1NS(=O)(=O)c1ccc(cc1)NC(=O)N[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1 CC(=O)[*:1] COc1ccccc1NS(=O)(=O)c1ccc(cc1)NC(=O)Nc1cccc(c1)[*:1]
CC(C)[NH+](C)CCNC(=O)c1cc2ccccc2cc1OC(F)F FC(F)O[*:1] CC(C)[NH+](C)CCNC(=O)c1cc2ccccc2cc1[*:1]
CC(C)[NH+](C)CCNC(=O)c1cc2ccccc2cc1OC(F)F FC(F)[*:1] CC(C)[NH+](C)CCNC(=O)c1cc2ccccc2cc1O[*:1]
CC(C)[NH+](C)CCNC(=O)c1cc2ccccc2cc1OC(F)F CC(C)[*:1] C[NH+](CCNC(=O)c1cc2ccccc2cc1OC(F)F)[*:1]
O=C(CN1CCN(C(=O)C2(c3ccccc3)CC2)CC1)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)C1(CC1)[*:1])Nc1ccc(F)cc1
O=C(CN1CCN(C(=O)C2(c3ccccc3)CC2)CC1)Nc1ccc(F)cc1 c1ccc(cc1)C1(CC1)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1ccc(F)cc1
O=C(CN1CCN(C(=O)C2(c3ccccc3)CC2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)C1(CC1)c1ccccc1)N[*:1]
C[C@@H](CNC(=O)N(C)CC(C)(C)O)C(=O)[O-] C[C@@H](C(=O)[O-])[*:1] CN(CC(C)(C)O)C(=O)NC[*:1]
C[C@@H](CNC(=O)N(C)CC(C)(C)O)C(=O)[O-] CC(C)(O)C[*:1] C[C@@H](CNC(=O)N(C)[*:1])C(=O)[O-]
C[C@@H](CNC(=O)N(C)CC(C)(C)O)C(=O)[O-] O=C([O-])[*:1] C[C@@H](CNC(=O)N(C)CC(C)(C)O)[*:1]
C[C@@H](CNC(=O)N(C)CC(C)(C)O)C(=O)[O-] CC(C)(O)[*:1] C[C@@H](CNC(=O)N(C)C[*:1])C(=O)[O-]
Cc1ccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(C[*:1])nc2ccccc2c1=O
Cc1ccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)[*:1]
Cc1ccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c2ccccc2nc(Cc2ccccc2)n1[*:1]
O=C(CCCC(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)Nc1nncs1 O=C(C[*:1])Nc1nncs1 O=C(CC[*:1])N[C@H]1CC2(CCOCC2)Oc2ccccc21
O=C(CCCC(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)Nc1nncs1 c1nnc(s1)[*:1] O=C(CCCC(=O)N[*:1])N[C@H]1CC2(CCOCC2)Oc2ccccc21
O=C(CCCC(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)Nc1nncs1 O=C(Nc1nncs1)[*:1] O=C(CCC[*:1])N[C@H]1CC2(CCOCC2)Oc2ccccc21
O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)N1CCC(n2cccn2)CC1 c1cnn(c1)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)N1CCC(CC1)[*:1]
CC[NH2+][C@@](C)(C[C@@H](C)Sc1ccncc1)C(=O)[O-] c1cc(ccn1)[*:1] CC[NH2+][C@@](C)(C[C@@H](C)S[*:1])C(=O)[O-]
CC[NH2+][C@@](C)(C[C@@H](C)Sc1ccncc1)C(=O)[O-] O=C([O-])[*:1] CC[NH2+][C@@](C)(C[C@@H](C)Sc1ccncc1)[*:1]
Cc1ccccc1CNC(=O)CS(=O)(=O)c1ccccc1F Cc1ccccc1[*:1] O=C(CS(=O)(=O)c1ccccc1F)NC[*:1]
Cc1ccccc1CNC(=O)CS(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] Cc1ccccc1CNC(=O)CS(=O)(=O)[*:1]
O=C(CCCn1ccnn1)OC[C@@H]1CC1(Cl)Cl ClC1(Cl)C[C@H]1[*:1] O=C(CCCn1ccnn1)OC[*:1]
O=C(CCCn1ccnn1)OC[C@@H]1CC1(Cl)Cl c1cn(nn1)[*:1] O=C(CCC[*:1])OC[C@@H]1CC1(Cl)Cl
CCOC(=O)c1ccsc1NC(=O)C(=O)NCc1ccc(C)cc1C CCOC(=O)[*:1] Cc1ccc(CNC(=O)C(=O)Nc2sccc2[*:1])c(C)c1
CCOC(=O)c1ccsc1NC(=O)C(=O)NCc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCOC(=O)c1ccsc1NC(=O)C(=O)NC[*:1]
C[C@H](CNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)C[NH+]1CCCCC1 CS(=O)(=O)N[*:1] C[C@H](CNC(=O)N1CCC[C@@H](C1)[*:1])C[NH+]1CCCCC1
CC(C)[C@@](C)(O)CNC(=O)CSc1ccccc1F CC(C)[*:1] C[C@@](O)(CNC(=O)CSc1ccccc1F)[*:1]
COc1ccc([C@@H](NC(=O)c2ccc3c(c2)nnn3C)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cn1nnc2cc(ccc21)C(=O)N[C@@H](C1CCOCC1)[*:1]
COc1ccc([C@@H](NC(=O)c2ccc3c(c2)nnn3C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1ccc2c(c1)nnn2C)[*:1]
CC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1OC(C)=O Clc1ccc(c(Cl)c1)[*:1] CC(=O)Oc1ccc(/C=C2\N=C(OC2=O)[*:1])cc1OC(C)=O
CC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1OC(C)=O CC(=O)O[*:1] CC(=O)Oc1cc(/C=C2\N=C(OC2=O)c2ccc(Cl)cc2Cl)ccc1[*:1]
CC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1OC(C)=O CC(=O)O[*:1] CC(=O)Oc1ccc(/C=C2\N=C(OC2=O)c2ccc(Cl)cc2Cl)cc1[*:1]
CCCCS(=O)(=O)NCC(=O)N[C@@H]1CCc2ccc(F)cc21 CCC[*:1] O=C(CNS(=O)(=O)C[*:1])N[C@@H]1CCc2ccc(F)cc21
CCCCS(=O)(=O)NCC(=O)N[C@@H]1CCc2ccc(F)cc21 CCCC[*:1] O=C(CNS(=O)(=O)[*:1])N[C@@H]1CCc2ccc(F)cc21
CC[C@H](C#N)Oc1ccc(C[NH2+]C(C)C)nc1 CC(C)[*:1] CC[C@H](C#N)Oc1ccc(C[NH2+][*:1])nc1
CC[C@H](C#N)Oc1ccc(C[NH2+]C(C)C)nc1 CC[C@H](C#N)[*:1] CC(C)[NH2+]Cc1ccc(cn1)O[*:1]
C[C@@H]1CN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H](C)CO1 O=[N+]([O-])[*:1] C[C@@H]1CN(CN2C(=O)c3ccc(cc3C2=O)[*:1])[C@H](C)CO1
Cc1nn(Cc2ccccc2)c(Cl)c1CNC1CC[NH+](C)CC1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1CNC1CC[NH+](C)CC1
Cc1nn(Cc2ccccc2)c(Cl)c1CNC1CC[NH+](C)CC1 c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1CNC1CC[NH+](C)CC1)[*:1]
CC(=O)c1cccc(NC(=O)c2ccc(-c3cncnc3)nc2)c1 c1ncc(cn1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1ccc(nc1)[*:1]
CC(=O)c1cccc(NC(=O)c2ccc(-c3cncnc3)nc2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(nc1)-c1cncnc1
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 CC(=O)[*:1] CC(=O)[C@@H]1[C@H](C(=C(C[C@]1(C)O)Nc1ccc(C)cc1)[*:1])c1ccc(Cl)cc1
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 Cc1ccc(cc1)N[*:1] CC(=O)C1=C(C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1)[*:1]
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 CC(=O)[*:1] CC(=O)C1=C(C[C@](C)(O)[C@H]([C@H]1c1ccc(Cl)cc1)[*:1])Nc1ccc(C)cc1
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 Cc1ccc(cc1)[*:1] CC(=O)C1=C(C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1)N[*:1]
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)C1=C(C[C@](C)(O)[C@H](C(C)=O)[C@@H]1[*:1])Nc1ccc(C)cc1
Cc1nc(-c2ccc(CC(=O)N3CCOC[C@H]3C)cc2)cs1 Cc1nc(cs1)[*:1] C[C@@H]1COCCN1C(=O)Cc1ccc(cc1)[*:1]
CCOC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1Cl CCOC(=O)[*:1] Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC[C@H]1C[*:1]
CCOC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1Cl CCOC(=O)C[*:1] Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC[C@H]1[*:1]
CCCn1/c(=N/C(=O)c2cccc(OCC(N)=O)c2)[nH]c2ccccc21 NC(=O)C[*:1] CCCn1/c(=N/C(=O)c2cccc(c2)O[*:1])[nH]c2ccccc21
CCCn1/c(=N/C(=O)c2cccc(OCC(N)=O)c2)[nH]c2ccccc21 NC(=O)[*:1] CCCn1/c(=N/C(=O)c2cccc(c2)OC[*:1])[nH]c2ccccc21
CCCn1/c(=N/C(=O)c2cccc(OCC(N)=O)c2)[nH]c2ccccc21 CCC[*:1] NC(=O)COc1cccc(c1)C(=O)/N=c1\[nH]c2ccccc2n1[*:1]
CCCn1/c(=N/C(=O)c2cccc(OCC(N)=O)c2)[nH]c2ccccc21 NC(=O)CO[*:1] CCCn1/c(=N/C(=O)c2cccc(c2)[*:1])[nH]c2ccccc21
CC1(C)CC(NC(=S)N(Cc2ccco2)C2CCCCC2)CC(C)(C)[NH2+]1 C1CCC(CC1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=S)N(Cc1ccco1)[*:1]
CC1(C)CC(NC(=S)N(Cc2ccco2)C2CCCCC2)CC(C)(C)[NH2+]1 c1coc(c1)C[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=S)N(C1CCCCC1)[*:1]
CC1(C)CC(NC(=S)N(Cc2ccco2)C2CCCCC2)CC(C)(C)[NH2+]1 c1coc(c1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=S)N(C[*:1])C1CCCCC1
Nc1cc[nH+]c(Cn2nnc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Nc1cc[nH+]c(c1)Cn1nnc(n1)[*:1]
C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 CC(C)(C)[*:1] C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccc(cc2)[*:1])C1
CSCC[C@@H]1NC(=S)N(CCSc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CSCC[C@@H]1NC(=S)N(CCS[*:1])C1=O
CSCC[C@@H]1NC(=S)N(CCSc2ccc(Cl)cc2)C1=O CSCC[*:1] O=C1[C@@H](NC(=S)N1CCSc1ccc(Cl)cc1)[*:1]
CSCC[C@@H]1NC(=S)N(CCSc2ccc(Cl)cc2)C1=O CSC[*:1] O=C1[C@H](C[*:1])NC(=S)N1CCSc1ccc(Cl)cc1
O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cc1Cl O=[N+]([O-])[*:1] O=C1c2ccc(c3c(ccc(C(=O)N1c1ccc(Cl)cc1Cl)c23)[*:1])[N+](=O)[O-]
O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C1c2ccc(c3c(ccc(C(=O)N1[*:1])c23)[N+](=O)[O-])[N+](=O)[O-]
C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCc1ccccn1 c1ccc(C[*:1])nc1 C[C@H](NS(=O)(=O)c1cccs1)C(=O)O[*:1]
C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCc1ccccn1 c1csc(c1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)OCc1ccccn1
C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCc1ccccn1 c1ccc(nc1)[*:1] C[C@H](NS(=O)(=O)c1cccs1)C(=O)OC[*:1]
CC[NH2+][C@@H]1CC[C@H](Oc2ccc(C(C)(C)C)cc2C)C1 CC(C)(C)[*:1] CC[NH2+][C@@H]1CC[C@@H](C1)Oc1ccc(cc1C)[*:1]
Cc1ccc(NC(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)N[*:1]
O=C(COc1ccc(Oc2ccccc2)cc1)Nc1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] O=C(COc1ccc(cc1)Oc1ccccc1)Nc1cc(ccc1Cl)[*:1]
O=C(COc1ccc(Oc2ccccc2)cc1)Nc1cc(N2CCCC2=O)ccc1Cl c1ccc(cc1)O[*:1] O=C(COc1ccc(cc1)[*:1])Nc1cc(ccc1Cl)N1CCCC1=O
O=C(COc1ccc(Oc2ccccc2)cc1)Nc1cc(N2CCCC2=O)ccc1Cl c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)O[*:1])Nc1cc(ccc1Cl)N1CCCC1=O
Cc1ccc([C@@](C)(O)CNC(=O)N[C@@H](C)CCCO)o1 Cc1ccc(o1)[*:1] C[C@@H](CCCO)NC(=O)NC[C@@](C)(O)[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)N[C@@H](C)CCCO)o1 C[C@@H](CCCO)[*:1] Cc1ccc(o1)[C@@](C)(O)CNC(=O)N[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)N[C@@H](C)CCCO)o1 OCCC[*:1] Cc1ccc(o1)[C@@](C)(O)CNC(=O)N[C@@H](C)[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)N[C@@H](C)CCCO)o1 OCC[*:1] Cc1ccc(o1)[C@@](C)(O)CNC(=O)N[C@@H](C)C[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)NCCc1ccc(O)cc1 C[C@@H](CO)[*:1] C[C@@H](NC(=O)NCCc1ccc(O)cc1)[*:1]
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)NCc3ccccc3Cl)CC2)C1 Clc1ccccc1C[*:1] C[C@@H]1CCCN(C1)C(=O)C1CCN(CC1)C(=O)N[*:1]
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)NCc3ccccc3Cl)CC2)C1 Clc1ccccc1[*:1] C[C@@H]1CCCN(C1)C(=O)C1CCN(CC1)C(=O)NC[*:1]
Cc1cc(NC(=O)[C@H](c2ccccc2)S(=O)(=O)[C@@H](C)[C@@H](C)O)no1 Cc1cc(no1)[*:1] C[C@@H]([C@@H](C)O)S(=O)(=O)[C@H](C(=O)N[*:1])c1ccccc1
Cc1cc(NC(=O)[C@H](c2ccccc2)S(=O)(=O)[C@@H](C)[C@@H](C)O)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@H](S(=O)(=O)[C@@H](C)[C@@H](C)O)[*:1]
Cc1cc(NC(=O)[C@H](c2ccccc2)S(=O)(=O)[C@@H](C)[C@@H](C)O)no1 C[C@@H](O)[*:1] Cc1cc(no1)NC(=O)[C@H](c1ccccc1)S(=O)(=O)[C@@H](C)[*:1]
CC(C)[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)C1CC1 C1CC1[*:1] CC(C)[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)[*:1]
CC(C)[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)C1CC1 CC(C)[*:1] O[C@@H](C[NH2+][C@@H](C1CC1)[*:1])c1ccccc1Cl
C[C@H]1CCN(C(=O)NC[C@@H]2CC[C@H](C(=O)[O-])O2)C1 O=C([O-])[*:1] C[C@H]1CCN(C1)C(=O)NC[C@@H]1CC[C@H](O1)[*:1]
COc1ccccc1N1C(=O)[C@@H](Cc2ccccc2)[NH+]=C1N1CCN(C)CC1 c1ccc(cc1)[*:1] COc1ccccc1N1C(=O)[C@@H](C[*:1])[NH+]=C1N1CCN(C)CC1
COc1ccccc1N1C(=O)[C@@H](Cc2ccccc2)[NH+]=C1N1CCN(C)CC1 COc1ccccc1[*:1] CN1CCN(CC1)C1=[NH+][C@H](Cc2ccccc2)C(=O)N1[*:1]
COc1ccccc1N1C(=O)[C@@H](Cc2ccccc2)[NH+]=C1N1CCN(C)CC1 c1ccc(cc1)C[*:1] COc1ccccc1N1C(=O)[C@@H]([NH+]=C1N1CCN(C)CC1)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 CCC(=O)N[*:1] Cc1ccc(cc1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[*:1]
CC(C)Cc1ccc(C=O)[nH]1 CC(C)[*:1] O=Cc1ccc(C[*:1])[nH]1
C[C@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@H](NC(=O)c1ccc(Br)c(c1)S(=O)(=O)N(C)C)[*:1]
C[C@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)c(Cl)c1 CN(C)S(=O)(=O)[*:1] C[C@H](NC(=O)c1ccc(Br)c(c1)[*:1])c1ccc(Cl)c(Cl)c1
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1 CC(C)(C)OC(=O)NC[*:1] O=S(=O)(c1ccc2ccccc2c1)N1CCCC[C@H]1[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1 CC(C)(C)OC(=O)N[*:1] O=S(=O)(c1ccc2ccccc2c1)N1CCCC[C@H]1C[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1)O[*:1]
Cc1cc(C(=O)O[C@@H](c2ccccc2)c2nccs2)n(C)n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)O[C@@H](c2nccs2)[*:1])n(C)n1
Cc1cc(C(=O)O[C@@H](c2ccccc2)c2nccs2)n(C)n1 c1csc(n1)[*:1] Cc1cc(C(=O)O[C@@H](c2ccccc2)[*:1])n(C)n1
Cc1cc(C(=O)O[C@@H](c2ccccc2)c2nccs2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(O[C@@H](c1ccccc1)c1nccs1)[*:1]
CC(C)[C@H](NC(=O)C1CCOCC1)c1ccccc1 C1CC(CCO1)[*:1] CC(C)[C@H](NC(=O)[*:1])c1ccccc1
CC(C)[C@H](NC(=O)C1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C1CCOCC1)[*:1]
CC(C)[C@H](NC(=O)C1CCOCC1)c1ccccc1 CC(C)[*:1] O=C(N[C@H](c1ccccc1)[*:1])C1CCOCC1
Cc1cccc(NC(=O)Nc2cc(N3CCC(C)CC3)ncn2)c1 Cc1cccc(c1)[*:1] CC1CCN(CC1)c1cc(ncn1)NC(=O)N[*:1]
Cc1cccc(NC(=O)Nc2cc(N3CCC(C)CC3)ncn2)c1 CC1CCN(CC1)[*:1] Cc1cccc(c1)NC(=O)Nc1cc(ncn1)[*:1]
Cc1cccc(OCC(=O)Nc2nc(C)c(SCC(N)=O)s2)c1C NC(=O)C[*:1] Cc1cccc(OCC(=O)Nc2nc(C)c(S[*:1])s2)c1C
Cc1cccc(OCC(=O)Nc2nc(C)c(SCC(N)=O)s2)c1C NC(=O)CS[*:1] Cc1cccc(OCC(=O)Nc2nc(C)c(s2)[*:1])c1C
Cc1cccc(OCC(=O)Nc2nc(C)c(SCC(N)=O)s2)c1C NC(=O)[*:1] Cc1cccc(OCC(=O)Nc2nc(C)c(SC[*:1])s2)c1C
Cc1cccc(OCC(=O)Nc2nc(C)c(SCC(N)=O)s2)c1C Cc1cccc(c1C)[*:1] Cc1nc(NC(=O)CO[*:1])sc1SCC(N)=O
O=C(c1c(F)cc(Br)cc1F)N1CCC[C@@H]1CCCO OCCC[*:1] O=C(c1c(F)cc(Br)cc1F)N1CCC[C@H]1[*:1]
O=C(c1c(F)cc(Br)cc1F)N1CCC[C@@H]1CCCO OCC[*:1] O=C(c1c(F)cc(Br)cc1F)N1CCC[C@@H]1C[*:1]
COc1ccccc1C[C@H](C)CC(=O)Oc1ccc2nccnc2c1 COc1ccccc1[*:1] C[C@H](CC(=O)Oc1ccc2nccnc2c1)C[*:1]
C=C(C)C[NH+]1CCC(NC(=O)c2cccc(F)c2Cl)CC1 C=C(C)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1cccc(F)c1Cl
CCOC(=O)N1CCc2c(sc(NC(=O)CCc3ccccc3)c2C(N)=O)C1 NC(=O)[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)CCc1ccccc1)c2[*:1]
CCOC(=O)N1CCc2c(sc(NC(=O)CCc3ccccc3)c2C(N)=O)C1 c1ccc(cc1)C[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)C[*:1])c2C(N)=O
CCOC(=O)N1CCc2c(sc(NC(=O)CCc3ccccc3)c2C(N)=O)C1 c1ccc(cc1)[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)CC[*:1])c2C(N)=O
CCOC(=O)N1CCc2c(sc(NC(=O)CCc3ccccc3)c2C(N)=O)C1 c1ccc(cc1)CC[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)n1ccnc1 c1cn(cn1)[*:1] Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)[*:1]
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)n1ccnc1 C[C@@H](n1ccnc1)[*:1] Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[*:1]
Cc1cc(Sc2ccncc2)c([C@H](C)O)cc1F c1cc(ccn1)[*:1] Cc1cc(S[*:1])c(cc1F)[C@H](C)O
Cc1cc(Sc2ccncc2)c([C@H](C)O)cc1F C[C@H](O)[*:1] Cc1cc(Sc2ccncc2)c(cc1F)[*:1]
COCCCC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 COCC[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1n[nH]c2ccccc12
COCCCC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 COCCC[*:1] O=C(c1n[nH]c2ccccc12)N1CCN(CC1)C(=O)[*:1]
COCCCC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 COC[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)c1n[nH]c2ccccc12
O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 Clc1ccccc1C=C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)[*:1]
O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 Clc1ccccc1[*:1] O=C(C=C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
CCCNC(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)cc1Cl CCC[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
CCCNC(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)cc1Cl CCCNC(=O)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCC(C)(C)NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CCC(C)(C)[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
CC(C)Cc1nnc(NC(=O)[C@H]2NN(c3cccc(Cl)c3)C=CC2=O)s1 CC(C)[*:1] O=C1C=CN(N[C@@H]1C(=O)Nc1nnc(C[*:1])s1)c1cccc(Cl)c1
CC(C)Cc1nnc(NC(=O)[C@H]2NN(c3cccc(Cl)c3)C=CC2=O)s1 CC(C)C[*:1] O=C1C=CN(N[C@@H]1C(=O)Nc1nnc(s1)[*:1])c1cccc(Cl)c1
CC(C)Cc1nnc(NC(=O)[C@H]2NN(c3cccc(Cl)c3)C=CC2=O)s1 Clc1cccc(c1)[*:1] CC(C)Cc1nnc(NC(=O)[C@H]2NN(C=CC2=O)[*:1])s1
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)n(Cc2ccccc2)n1 FC(F)(F)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1ccc(=O)n(Cc2ccccc2)n1
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)c1ccc(=O)n(C[*:1])n1
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)c1ccc(=O)n(n1)[*:1]
Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccco2)c1 c1coc(c1)[*:1] Cc1ccc(C)c(c1)[C@H](C)[NH2+]C[*:1]
COc1ccc(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)c(OC2CCCC2)c1 C1CCC(C1)O[*:1] COc1ccc(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)c(c1)[*:1]
COc1ccc(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)c(OC2CCCC2)c1 C1CCC(C1)[*:1] COc1ccc(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)c(c1)O[*:1]
Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1F FC(F)(F)[*:1] Cc1ccc(cc1F)C(=O)NCc1ccc(cc1)[*:1]
CC(C)N(C)S(=O)(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 CC(C)[*:1] C[C@H](NS(=O)(=O)N(C)[*:1])c1cccc(c1)N1CCCC1
CC(C)N(C)S(=O)(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] CC(C)N(C)S(=O)(=O)N[C@@H](C)c1cccc(c1)[*:1]
O=C(NC[C@@]1(O)CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1)N1CCCC1 O=C(NC[*:1])N1CCCC1 O=C(c1cc(n[nH]1)C1CC1)N1CCC[C@](O)(CC1)[*:1]
O=C(NC[C@@]1(O)CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1)N1CCCC1 c1c(n[nH]c1[*:1])C1CC1 O=C(NC[C@@]1(O)CCCN(CC1)C(=O)[*:1])N1CCCC1
O=C(NC[C@@]1(O)CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1)N1CCCC1 C1CC1[*:1] O=C(NC[C@@]1(O)CCCN(CC1)C(=O)c1cc(n[nH]1)[*:1])N1CCCC1
O=C(NC[C@@]1(O)CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1)N1CCCC1 O=C(N[*:1])N1CCCC1 O=C(c1cc(n[nH]1)C1CC1)N1CCC[C@@](O)(CC1)C[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1O Clc1ccc(c(Cl)c1)[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])cc(OC)c1O
CC[C@H](C)NC(=O)CSCC(=O)Nc1cccc(C)c1 CC[C@H](C)[*:1] Cc1cccc(c1)NC(=O)CSCC(=O)N[*:1]
Cc1cc(N2CC[C@H](N[C@H]3CC(C)(C)Oc4cc(F)ccc43)C2=O)n(C)n1 Cc1cc(n(C)n1)[*:1] CC1(C)C[C@H](N[C@H]2CCN(C2=O)[*:1])c2ccc(F)cc2O1
CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CN(CC(=O)N1CCN(CC1)Cc1ccccc1)C(=O)C1CCN(CC1)C(=O)N[*:1]
CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CN(CC(=O)N1CCN(CC1)C[*:1])C(=O)C1CCN(CC1)C(=O)Nc1ccccc1
CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)C[*:1] CN(CC(=O)N1CCN(CC1)[*:1])C(=O)C1CCN(CC1)C(=O)Nc1ccccc1
CCn1c(=O)n(CCC(=O)Nc2ccnn2Cc2ccccc2Br)c2ccccc21 Brc1ccccc1[*:1] CCn1c(=O)n(CCC(=O)Nc2ccnn2C[*:1])c2ccccc21
CCn1c(=O)n(CCC(=O)Nc2ccnn2Cc2ccccc2Br)c2ccccc21 Brc1ccccc1C[*:1] CCn1c(=O)n(CCC(=O)Nc2ccnn2[*:1])c2ccccc21
CCOc1c(Cl)cc(/C=C/C([O-])=C(/C#N)C(=O)NC)cc1OC CCO[*:1] CNC(=O)/C(C#N)=C([O-])\C=C\c1cc(Cl)c(c(c1)OC)[*:1]
CCOc1c(Cl)cc(/C=C/C([O-])=C(/C#N)C(=O)NC)cc1OC CNC(=O)[*:1] CCOc1c(Cl)cc(/C=C/C(/[O-])=C(C#N)[*:1])cc1OC
Cc1ccccc1OCC(=O)NNC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] Cc1ccccc1OCC(=O)NNC(=O)[*:1]
Cc1ccccc1OCC(=O)NNC(=O)c1ccc(Br)s1 Cc1ccccc1[*:1] O=C(CO[*:1])NNC(=O)c1ccc(Br)s1
CN1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC1=O FC(F)(F)[*:1] CN1C[C@@H](CC1=O)C(=O)Nc1cc(ccc1N1CCCC1)[*:1]
CN1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC1=O C1CCN(C1)[*:1] CN1C[C@@H](CC1=O)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
C[C@H](CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
C[C@H](CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 O=[N+]([O-])[*:1] C[C@H](CC(=O)N1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F)c1ccccc1
C[C@H](CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
C[C@H](CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 C[C@H](C[*:1])c1ccccc1 O=C(N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
C[C@H](CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 FC(F)(F)[*:1] C[C@H](CC(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1])c1ccccc1
Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)n2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])[C@@H]1CC(=O)N(C1)c1cccc(Br)c1
Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)n2)n1 Brc1cccc(c1)[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CCNC(=O)[C@@H]2CC(=O)N(C2)[*:1])n1
Cc1cccc(CC(=O)OCC(=O)Nc2ccc(F)cc2F)c1 Cc1cccc(c1)[*:1] O=C(COC(=O)C[*:1])Nc1ccc(F)cc1F
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 C(=C[*:1])c1ccco1 Cc1noc(c1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1F)[*:1]
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 O=C(Nc1ccccc1F)[*:1] Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(CC1)[*:1]
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 c1coc(c1)[*:1] Cc1noc(C=C[*:1])c1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1F
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCC(=O)Nc1ccc(NC(=O)c2ccc(O[C@H](C)CC)cc2)cc1 CC[C@@H](C)O[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(NC(=O)c2ccc(O[C@H](C)CC)cc2)cc1 CCC(=O)N[*:1] CC[C@@H](C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(SCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(C)cc1Br C1CN(CCO1)[*:1] Cc1cc(SCC(=O)NC[C@@H](c2cccs2)[*:1])c(C)cc1Br
Cc1cc(SCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(C)cc1Br c1csc(c1)[*:1] Cc1cc(SCC(=O)NC[C@@H](N2CCOCC2)[*:1])c(C)cc1Br
Cc1cc(SCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(C)cc1Br Cc1cc(c(C)cc1Br)[*:1] O=C(CS[*:1])NC[C@@H](c1cccs1)N1CCOCC1
C[C@@H]1COCCN1C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1[*:1] C[C@@H]1COCCN1C(=O)N[C@H](C[*:1])c1ccccc1
C[C@@H]1COCCN1C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1COCCN1C(=O)N[C@H](CN1CCCC1=O)[*:1]
C[C@@H]1COCCN1C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1C[*:1] C[C@@H]1COCCN1C(=O)N[C@H](c1ccccc1)[*:1]
C[C@@H](NC(=O)Nc1cn[nH]c1)c1nc[nH]n1 c1n[nH]cc1[*:1] C[C@@H](NC(=O)N[*:1])c1nc[nH]n1
C[C@@H](NC(=O)Nc1cn[nH]c1)c1nc[nH]n1 c1nc(n[nH]1)[*:1] C[C@@H](NC(=O)Nc1cn[nH]c1)[*:1]
O=[N+]([O-])c1cccc([C@@H](O)CSc2nc(-c3cccs3)n[nH]2)c1 c1csc(c1)[*:1] O=[N+]([O-])c1cccc(c1)[C@@H](O)CSc1nc(n[nH]1)[*:1]
O=[N+]([O-])c1cccc([C@@H](O)CSc2nc(-c3cccs3)n[nH]2)c1 O=[N+]([O-])[*:1] O[C@@H](CSc1nc(n[nH]1)-c1cccs1)c1cccc(c1)[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)N1CCN(C[C@@H]2CCOC2)CC1 C1C[C@H](CO1)C[*:1] O=C(Nc1nnc(s1)C(F)(F)F)N1CCN(CC1)[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)N1CCN(C[C@@H]2CCOC2)CC1 FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])N1CCN(CC1)C[C@@H]1CCOC1
O=C(Nc1nnc(C(F)(F)F)s1)N1CCN(C[C@@H]2CCOC2)CC1 C1C[C@H](CO1)[*:1] O=C(Nc1nnc(s1)C(F)(F)F)N1CCN(CC1)C[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSCC(F)(F)F)c1 FC(F)(F)CSC[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSCC(F)(F)F)c1 FC(F)(F)C[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)CS[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSCC(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)CSC[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSCC(F)(F)F)c1 FC(F)(F)CS[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)C[*:1]
COC(=O)N1CCC([NH2+][C@H](c2ccccn2)C2CCCC2)CC1 C1CCC(C1)[*:1] COC(=O)N1CCC(CC1)[NH2+][C@H](c1ccccn1)[*:1]
COC(=O)N1CCC([NH2+][C@H](c2ccccn2)C2CCCC2)CC1 c1ccc(nc1)[*:1] COC(=O)N1CCC(CC1)[NH2+][C@H](C1CCCC1)[*:1]
CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC1CCCCCCC1 CC[C@@H](C)[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)N[C@H](C(=O)NC1CCCCCCC1)[*:1]
CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC1CCCCCCC1 O=S1(=O)CC[C@@H](C1)[*:1] CC[C@@H](C)[C@H](NC(=O)N[*:1])C(=O)NC1CCCCCCC1
CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[*:1]
CC[C@@H](NC(=O)/C=C/C1CC1)c1nc(C)n[nH]1 C1CC1[*:1] CC[C@@H](NC(=O)C=C[*:1])c1nc(C)n[nH]1
CC[C@@H](NC(=O)/C=C/C1CC1)c1nc(C)n[nH]1 C(=C[*:1])C1CC1 CC[C@@H](NC(=O)[*:1])c1nc(C)n[nH]1
O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH2+]Cc1ccncn1 C1CC(C1)[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]Cc1ccncn1)C[*:1]
O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH2+]Cc1ccncn1 C1CC(C1)C[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]Cc1ccncn1)[*:1]
O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH2+]Cc1ccncn1 c1cc(C[*:1])ncn1 O=C1N(CCC[C@@]1(O)C[NH2+][*:1])CC1CCC1
O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH2+]Cc1ccncn1 c1cc(ncn1)[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]C[*:1])CC1CCC1
CC[C@@H](C)N(CCOC)C(=O)c1ccncc1Cl COC[*:1] CC[C@@H](C)N(C[*:1])C(=O)c1ccncc1Cl
CC[C@@H](C)N(CCOC)C(=O)c1ccncc1Cl CC[C@@H](C)[*:1] COCCN(C(=O)c1ccncc1Cl)[*:1]
CC[C@@H](C)N(CCOC)C(=O)c1ccncc1Cl COCC[*:1] CC[C@@H](C)N(C(=O)c1ccncc1Cl)[*:1]
Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccco2)o1 O=[N+]([O-])[*:1] Cn1cnc(c1Sc1nnc(o1)-c1ccco1)[*:1]
Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccco2)o1 c1coc(c1)[*:1] Cn1cnc(c1Sc1nnc(o1)[*:1])[N+](=O)[O-]
COCc1nc(CCS(=O)(=O)c2ccc(C)cc2)no1 COC[*:1] Cc1ccc(cc1)S(=O)(=O)CCc1noc(n1)[*:1]
COc1cccc(Cn2nc3cc(Sc4ccccc4)ncn3c2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)Cn1nc2cc(ncn2c1=O)S[*:1]
COc1cccc(Cn2nc3cc(Sc4ccccc4)ncn3c2=O)c1 c1ccc(cc1)S[*:1] COc1cccc(c1)Cn1nc2cc(ncn2c1=O)[*:1]
COc1cccc(Cn2nc3cc(Sc4ccccc4)ncn3c2=O)c1 COc1cccc(c1)[*:1] O=c1n(C[*:1])nc2cc(ncn12)Sc1ccccc1
O=C([C@H](O)c1ccccc1)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C([C@H](O)c1ccccc1)N1CCn2c(C1)nnc2[*:1]
O=C([C@H](O)c1ccccc1)N1CCn2c(nnc2-c2ccccc2)C1 O[C@H](c1ccccc1)[*:1] O=C(N1CCn2c(C1)nnc2-c1ccccc1)[*:1]
O=C([C@H](O)c1ccccc1)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C([C@H](O)[*:1])N1CCn2c(C1)nnc2-c1ccccc1
O=C(Oc1cccc(F)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(Oc1cccc(F)c1)C1CCN(CC1)C(=O)[*:1]
O=C(Oc1cccc(F)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Oc1cccc(F)c1)C1CCN(CC1)C(=O)C=C[*:1]
O=C(Oc1cccc(F)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 Fc1cccc(c1)[*:1] O=C(O[*:1])C1CCN(CC1)C(=O)/C=C/c1ccccc1
O=C(CSc1ccccc1)Nc1cccc2ccccc12 c1ccc(cc1)S[*:1] O=C(C[*:1])Nc1cccc2ccccc12
O=C(CSc1ccccc1)Nc1cccc2ccccc12 c1ccc(cc1)[*:1] O=C(CS[*:1])Nc1cccc2ccccc12
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)on1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(on1)-c1ccccc1
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1cc(on1)[*:1]
COc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)-c1noc(CNC(=O)[C@H](C)O[*:1])n1
COc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)NCc1nc(no1)[*:1]
COc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 COc1ccc(cc1)O[*:1] Cc1cccc(c1)-c1noc(CNC(=O)[C@H](C)[*:1])n1
COc1ccc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)NC(=O)CN1CC[NH+](CC1)[*:1]
COc1ccc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC1)Cc1ccco1)N[*:1]
COc1ccc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)NC(=O)CN1CC[NH+](CC1)C[*:1]
CCOC[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)C1 Cc1ccc(nc1)O[*:1] CCOC[C@H]1CCN(C1)C(=O)Nc1ccc(cc1)[*:1]
CCOC[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)C1 CCO[*:1] Cc1ccc(nc1)Oc1ccc(cc1)NC(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)C1 Cc1ccc(nc1)[*:1] CCOC[C@H]1CCN(C1)C(=O)Nc1ccc(cc1)O[*:1]
CCOC[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C)cn3)cc2)C1 CCOC[*:1] Cc1ccc(nc1)Oc1ccc(cc1)NC(=O)N1CC[C@@H](C1)[*:1]
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)N[C@H]1CCN(C1=O)[*:1]
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1=O)c1ccccc1)C(=O)N[*:1]
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n(n1)[*:1]
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(C)nc(n1)-n1nc(C)cc1NC(=O)[C@@H]1C[C@H]1[*:1]
COc1cccc(N2C[C@H](C(=O)NCc3cc(-c4ccccc4F)on3)CC2=O)c1 Fc1ccccc1[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)NCc1cc(on1)[*:1]
COc1cccc(N2C[C@H](C(=O)NCc3cc(-c4ccccc4F)on3)CC2=O)c1 COc1cccc(c1)[*:1] O=C(NCc1cc(on1)-c1ccccc1F)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(NC4CC4)nc3)cc2)cc1 C1CC1N[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)NC(=O)c1ccc(nc1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(NC4CC4)nc3)cc2)cc1 c1cc(ncc1[*:1])NC1CC1 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(NC4CC4)nc3)cc2)cc1 C1CC1[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)NC(=O)c1ccc(nc1)N[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(NC4CC4)nc3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)NS(=O)(=O)[*:1])c1ccc(nc1)NC1CC1
Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@@H](c4cccnc4)[C@H]32)cc1 c1cncc(c1)[*:1] Clc1ccc(cc1)[C@H]1Oc2ccc(Cl)cc2C2=Nc3nnnn3[C@@H]([C@H]21)[*:1]
Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@@H](c4cccnc4)[C@H]32)cc1 Clc1ccc(cc1)[*:1] Clc1ccc2O[C@@H]([C@H]3C(=Nc4nnnn4[C@H]3c3cccnc3)c2c1)[*:1]
CNC(=O)CN(C)S(=O)(=O)c1cc(N)cc(C)c1C CNC(=O)[*:1] Cc1cc(N)cc(c1C)S(=O)(=O)N(C)C[*:1]
CNC(=O)CN(C)S(=O)(=O)c1cc(N)cc(C)c1C CNC(=O)C[*:1] Cc1cc(N)cc(c1C)S(=O)(=O)N(C)[*:1]
COc1cccc2cc(C[NH+]3CCN(C4CC4)C(=O)C3)oc12 C1CC1[*:1] COc1cccc2cc(C[NH+]3CCN(C(=O)C3)[*:1])oc12
CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1cc(F)ccc1F CC(C)[C@H](C)NC(=O)[*:1] O=C(Cc1cc(F)ccc1F)N1CSC[C@H]1[*:1]
CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1cc(F)ccc1F CC(C)[*:1] C[C@H](NC(=O)[C@@H]1CSCN1C(=O)Cc1cc(F)ccc1F)[*:1]
CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[*:1]
CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1cc(F)ccc1F CC(C)[C@H](C)[*:1] O=C(N[*:1])[C@@H]1CSCN1C(=O)Cc1cc(F)ccc1F
O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1cc(C2CC2)[nH]n1 c1c(n[nH]c1C1CC1)[*:1] O=C(NCC1(CCOCC1)c1cccc(Br)c1)[*:1]
O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(NCC1(CCOCC1)c1cccc(Br)c1)c1cc([nH]n1)[*:1]
O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1cc(C2CC2)[nH]n1 Brc1cccc(c1)[*:1] O=C(NCC1(CCOCC1)[*:1])c1cc([nH]n1)C1CC1
Cn1/c(=N/C(=O)C2CCCCC2)sc2cc3c(cc21)OCCO3 C1CCC(CC1)[*:1] Cn1/c(=N/C(=O)[*:1])sc2cc3OCCOc3cc21
Cc1ccc(N[C@H]2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])N[C@H]1CC[C@@H]([NH3+])C1
O=C([O-])[C@@H]1[C@@H](C(=O)[O-])C1(Cl)Cl O=C([O-])[*:1] O=C([O-])[C@@H]1[C@H](C1(Cl)Cl)[*:1]
CC1(C)CN(Cc2ccc(F)c(-c3cccs3)c2)CCS1(=O)=O c1csc(c1)[*:1] CC1(C)CN(CCS1(=O)=O)Cc1ccc(F)c(c1)[*:1]
CNC(=O)Nc1ccc(C2(C(=O)Nc3ccc4c(c3)CCC4)CCC2)cc1 CNC(=O)N[*:1] O=C(Nc1ccc2CCCc2c1)C1(CCC1)c1ccc(cc1)[*:1]
CNC(=O)Nc1ccc(C2(C(=O)Nc3ccc4c(c3)CCC4)CCC2)cc1 c1cc2CCCc2cc1[*:1] CNC(=O)Nc1ccc(cc1)C1(CCC1)C(=O)N[*:1]
Cc1ccc(-c2nc(CC(=O)Nc3ccc(Cl)nn3)cs2)cc1 Clc1ccc(nn1)[*:1] Cc1ccc(cc1)-c1nc(cs1)CC(=O)N[*:1]
Cc1ccc(-c2nc(CC(=O)Nc3ccc(Cl)nn3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc(Cl)nn1
COc1ccccc1C(=O)N(C)Cc1sccc1C Cc1ccsc1[*:1] COc1ccccc1C(=O)N(C)C[*:1]
COc1ccccc1OCCN(C)C(=O)Cc1c(F)cccc1F Fc1cccc(F)c1[*:1] COc1ccccc1OCCN(C)C(=O)C[*:1]
COc1ccccc1OCCN(C)C(=O)Cc1c(F)cccc1F COc1ccccc1[*:1] CN(CCO[*:1])C(=O)Cc1c(F)cccc1F
O=C(COC(=O)c1cccnc1)N[C@H]1CCCc2ccccc21 c1cncc(c1)[*:1] O=C(COC(=O)[*:1])N[C@H]1CCCc2ccccc21
C=CCN1[C@@H](SCC2[NH+]=c3ccccc3=[NH+]2)NN[C@@H]1c1ccc(OC)cc1 C=CC[*:1] COc1ccc(cc1)[C@H]1NN[C@H](SCC2[NH+]=c3ccccc3=[NH+]2)N1[*:1]
C=CCN1[C@@H](SCC2[NH+]=c3ccccc3=[NH+]2)NN[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] C=CCN1[C@H](NN[C@H]1[*:1])SCC1[NH+]=c2ccccc2=[NH+]1
CCc1c(C)nc(Nc2cc(Cl)ccc2C)nc1OCC(=O)[O-] O=C([O-])[*:1] CCc1c(C)nc(nc1OC[*:1])Nc1cc(Cl)ccc1C
CCc1c(C)nc(Nc2cc(Cl)ccc2C)nc1OCC(=O)[O-] O=C([O-])C[*:1] CCc1c(C)nc(nc1O[*:1])Nc1cc(Cl)ccc1C
CCc1c(C)nc(Nc2cc(Cl)ccc2C)nc1OCC(=O)[O-] O=C([O-])CO[*:1] CCc1c(C)nc(nc1[*:1])Nc1cc(Cl)ccc1C
C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(CC1)C(=O)C[*:1]
CSc1cccc(NC(=O)C[NH2+]C2(C(N)=O)CCCCC2)c1 NC(=O)[*:1] CSc1cccc(c1)NC(=O)C[NH2+]C1(CCCCC1)[*:1]
O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 c1ccc(cc1)[*:1] O=C(N/N=C/C=C[*:1])c1ccc(cc1)NC(=O)c1ccc(Cl)cc1
O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] O=C(N/N=C/C=C/c1ccccc1)c1ccc(cc1)NC(=O)[*:1]
O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 C(=C[*:1])c1ccccc1 O=C(NN=C[*:1])c1ccc(cc1)NC(=O)c1ccc(Cl)cc1
Cc1ccc(OCc2n[nH]c(S[C@H](C)C(=O)N3CCCc4ccccc43)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nc(CO[*:1])n[nH]1)C(=O)N1CCCc2ccccc21
Cc1ccc(OCc2n[nH]c(S[C@H](C)C(=O)N3CCCc4ccccc43)n2)cc1 Cc1ccc(cc1)OC[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)N1CCCc2ccccc21
Cc1ccc(OCc2n[nH]c(S[C@H](C)C(=O)N3CCCc4ccccc43)n2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](Sc1nc(C[*:1])n[nH]1)C(=O)N1CCCc2ccccc21
Cn1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)cn1 Cn1cc(cn1)[*:1] C[C@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccsc1
Cn1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)cn1 c1cc(cs1)[*:1] Cn1cc(cn1)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
O=C(CCNC(=O)N1CC(O)=Nc2ccccc21)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCNC(=O)N1CC(O)=Nc2ccccc21)N[*:1]
CC[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1Cl CC[C@@H](CO)[*:1] O=S(=O)(N[*:1])c1cc(Br)ccc1Cl
CCN(CC1CC1)C(=O)Nc1ccccc1SCC(N)=O C1CC1C[*:1] CCN(C(=O)Nc1ccccc1SCC(N)=O)[*:1]
CCN(CC1CC1)C(=O)Nc1ccccc1SCC(N)=O NC(=O)[*:1] CCN(CC1CC1)C(=O)Nc1ccccc1SC[*:1]
CCN(CC1CC1)C(=O)Nc1ccccc1SCC(N)=O NC(=O)CS[*:1] CCN(CC1CC1)C(=O)Nc1ccccc1[*:1]
CCN(CC1CC1)C(=O)Nc1ccccc1SCC(N)=O C1CC1[*:1] CCN(C[*:1])C(=O)Nc1ccccc1SCC(N)=O
CCN(CC1CC1)C(=O)Nc1ccccc1SCC(N)=O NC(=O)C[*:1] CCN(CC1CC1)C(=O)Nc1ccccc1S[*:1]
CC(=O)N1CCO[C@@H](c2cc(NCc3ccccn3)nc(C)[nH+]2)C1 c1ccc(nc1)[*:1] CC(=O)N1CCO[C@H](C1)c1cc(nc(C)[nH+]1)NC[*:1]
CC(=O)N1CCO[C@@H](c2cc(NCc3ccccn3)nc(C)[nH+]2)C1 c1ccc(CN[*:1])nc1 CC(=O)N1CCO[C@H](C1)c1cc(nc(C)[nH+]1)[*:1]
CC(=O)N1CCO[C@@H](c2cc(NCc3ccccn3)nc(C)[nH+]2)C1 c1ccc(C[*:1])nc1 CC(=O)N1CCO[C@H](C1)c1cc(nc(C)[nH+]1)N[*:1]
CCc1cccc2sc(N(Cc3ccco3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12 c1coc(c1)[*:1] CCc1cccc2sc(nc12)N(C[*:1])C(=O)c1cccc(c1)N1C(=O)CCC1=O
CCc1cccc2sc(N(Cc3ccco3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12 CCc1cccc2sc(nc12)[*:1] O=C1CCC(=O)N1c1cccc(c1)C(=O)N(Cc1ccco1)[*:1]
CCc1cccc2sc(N(Cc3ccco3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12 O=C1CCC(=O)N1[*:1] CCc1cccc2sc(nc12)N(Cc1ccco1)C(=O)c1cccc(c1)[*:1]
CCc1cccc2sc(N(Cc3ccco3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12 c1coc(c1)C[*:1] CCc1cccc2sc(nc12)N(C(=O)c1cccc(c1)N1C(=O)CCC1=O)[*:1]
C#CC[C@@H](C)OC(=O)c1cccc(OC)c1OC C#CC[*:1] COc1cccc(C(=O)O[C@H](C)[*:1])c1OC
CC[C@H]1CN(CCN2CCOC2=O)c2ccccc2O1 O=C1OCCN1[*:1] CC[C@H]1CN(CC[*:1])c2ccccc2O1
COc1sc(CN2CCN[C@@H](C(=O)N(C)C)C2)cc1Br CN(C)C(=O)[*:1] COc1sc(cc1Br)CN1CCN[C@@H](C1)[*:1]
O=C(c1cccnc1SC1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1 C1CCC(C1)S[*:1] O=C(c1cccnc1[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
O=C(c1cccnc1SC1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1 C1CCC(C1)[*:1] O=C(c1cccnc1S[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
O=C(c1cccnc1SC1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccnc1SC1CCCC1)N1CCC(CC1)[C@H](O)[*:1]
O=C(c1cccnc1SC1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1 O[C@H](c1ccccc1)[*:1] O=C(c1cccnc1SC1CCCC1)N1CCC(CC1)[*:1]
C[C@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1cccc(C(=O)N(C)C)c1 CC(C)(C)[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1cccc(c1)C(=O)N(C)C
C[C@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1cccc(c1)[*:1]
C[C@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1cccc(C(=O)N(C)C)c1 CC(C)(C)NC(=O)[*:1] C[C@H]([S@@](=O)Cc1cccc(c1)C(=O)N(C)C)[*:1]
C[C@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1cccc(C(=O)N(C)C)c1 CC(C)(C)[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1cccc(c1)C(=O)N(C)C
C[C@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1cccc(c1)[*:1]
C[C@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1cccc(C(=O)N(C)C)c1 CC(C)(C)NC(=O)[*:1] C[C@H]([S@@](=O)Cc1cccc(c1)C(=O)N(C)C)[*:1]
COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(N)oc2c1 Clc1ccc(cc1)[*:1] COc1ccc2c(=O)c(c(N)oc2c1)[*:1]
COc1c(F)cc(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2)cc1F Clc1ccc(cc1)[*:1] COc1c(F)cc(cc1F)NC(=O)N[C@@H](CO)[*:1]
COc1ccc(C(=O)[O-])cc1Oc1nc(C(C)(C)C)ns1 O=C([O-])[*:1] COc1ccc(cc1Oc1nc(ns1)C(C)(C)C)[*:1]
COc1ccc(C(=O)[O-])cc1Oc1nc(C(C)(C)C)ns1 CC(C)(C)[*:1] COc1ccc(cc1Oc1nc(ns1)[*:1])C(=O)[O-]
Cc1cc(C)nc(Nc2nc(CC(=O)N3CCCCCC3)cs2)n1 Cc1cc(C)nc(n1)[*:1] O=C(Cc1csc(n1)N[*:1])N1CCCCCC1
CCn1cnnc1[C@H](C[NH3+])CC(C)C CC(C)[*:1] CCn1cnnc1[C@H](C[NH3+])C[*:1]
CCn1cnnc1[C@H](C[NH3+])CC(C)C CC(C)C[*:1] CCn1cnnc1[C@H](C[NH3+])[*:1]
O=C1[C@@H]2CNCCN2C(=O)N1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C1[C@@H]2CNCCN2C(=O)N1c1cccc(c1)[*:1]
CCC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)nc2)cc1 CCC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccc(nc1)N1CCOCC1
CCC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)nc2)cc1 C1CN(CCO1)[*:1] CCC(=O)c1ccc(cc1)OCC(=O)Nc1ccc(nc1)[*:1]
COc1ccc([C@@](C)(NC(=O)c2csc(C)n2)C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@@](C)(NC(=O)c1csc(C)n1)[*:1]
COc1ccc([C@@](C)(NC(=O)c2csc(C)n2)C(=O)[O-])cc1 Cc1nc(cs1)[*:1] COc1ccc(cc1)[C@@](C)(NC(=O)[*:1])C(=O)[O-]
Cc1ccc(C(=O)[O-])c(N)c1O O=C([O-])[*:1] Cc1ccc(c(N)c1O)[*:1]
C[C@H]1CN(Cc2ncn(-c3ccccc3)n2)[C@H](C)CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(Cc2ncn(n2)-c2ccccc2)[C@H](C)CN1C(=O)O[*:1]
C[C@H]1CN(Cc2ncn(-c3ccccc3)n2)[C@H](C)CN1C(=O)OC(C)(C)C c1ccc(cc1)[*:1] C[C@H]1CN(Cc2ncn(n2)[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
CCCCN(C(=O)NCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 Cn1cc(cn1)[*:1] CCCCN(C(=O)NCC[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)NCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] Cn1cc(cn1)CCNC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)NCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 Cn1cc(cn1)C[*:1] CCCCN(C(=O)NC[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)NCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] Cn1cc(cn1)CCNC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)NCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCN(C(=O)NCCc1cnn(C)c1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)c1cc(C(C)C)[nH]n1 CC(C)[*:1] CCN(Cc1cccc(C)c1)C(=O)c1cc([nH]n1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)c1cc(C(C)C)[nH]n1 Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)c1cc([nH]n1)C(C)C
CN(C)C(=O)c1ccc(N(C)[C@H]2CCC[C@@H]2C[NH3+])nn1 CN(C)C(=O)[*:1] CN(c1ccc(nn1)[*:1])[C@H]1CCC[C@@H]1C[NH3+]
CCCNc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] CCC[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NCc1ccccc1Cl
CCCNc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] Clc1ccccc1[*:1] CCCNc1ncnc(NC[*:1])c1[N+](=O)[O-]
CCCNc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] CCCN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NCc1ccccc1Cl
CCCNc1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCNc1ncnc(NCc2ccccc2Cl)c1[*:1]
Cc1ccc2cccc(NC(=O)C(=O)NC[C@@H](C)N(C)c3ccccc3)c2n1 CN(c1ccccc1)[*:1] Cc1ccc2cccc(NC(=O)C(=O)NC[C@@H](C)[*:1])c2n1
Cc1ccc2cccc(NC(=O)C(=O)NC[C@@H](C)N(C)c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1ccc2cccc(NC(=O)C(=O)NC[C@@H](C)N(C)[*:1])c2n1
CC[C@@H](CCO)CNc1nccn(C(C)C)c1=O OCC[*:1] CC[C@@H](CNc1nccn(c1=O)C(C)C)[*:1]
CC[C@@H](CCO)CNc1nccn(C(C)C)c1=O CC[C@@H](CCO)[*:1] CC(C)n1ccnc(NC[*:1])c1=O
CC[C@@H](CCO)CNc1nccn(C(C)C)c1=O CC(C)[*:1] CC[C@@H](CCO)CNc1nccn(c1=O)[*:1]
COc1cc(NC(=O)c2cccc(N(C)C)c2)c2ncccc2c1 CN(C)[*:1] COc1cc(NC(=O)c2cccc(c2)[*:1])c2ncccc2c1
COCc1cccc(NC(=O)N[C@H](C)CO)c1 COC[*:1] C[C@H](CO)NC(=O)Nc1cccc(c1)[*:1]
COCc1cccc(NC(=O)N[C@H](C)CO)c1 C[C@H](CO)[*:1] COCc1cccc(c1)NC(=O)N[*:1]
CC(C)n1ncnc1C[C@H](N)C(C)(C)[NH+]1CCCCC1 CC(C)[*:1] CC(C)([C@@H](N)Cc1ncnn1[*:1])[NH+]1CCCCC1
O=C([O-])c1cc(/N=C/c2ccc(N3CCCC3)c(F)c2)ccc1O O=C([O-])[*:1] Oc1ccc(cc1[*:1])/N=C/c1ccc(c(F)c1)N1CCCC1
O=C([O-])c1cc(/N=C/c2ccc(N3CCCC3)c(F)c2)ccc1O C1CCN(C1)[*:1] O=C([O-])c1cc(ccc1O)/N=C/c1ccc(c(F)c1)[*:1]
CC(C)(C)OC(=O)N1CCCN1C(=O)CCCn1ccnn1 CC(C)(C)[*:1] O=C(CCCn1ccnn1)N1CCCN1C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCCN1C(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 CC(C)(C)OC(=O)N1CCCN1C(=O)CC[*:1]
CC(C)(C)OC(=O)N1CCCN1C(=O)CCCn1ccnn1 c1cn(CC[*:1])nn1 CC(C)(C)OC(=O)N1CCCN1C(=O)C[*:1]
CC(C)(C)OC(=O)N1CCCN1C(=O)CCCn1ccnn1 c1cn(nn1)[*:1] CC(C)(C)OC(=O)N1CCCN1C(=O)CCC[*:1]
CCc1[nH+]ccn1CC1CC[NH+](CC(=O)Nc2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] CCc1[nH+]ccn1CC1CC[NH+](CC1)CC(=O)N[*:1]
CN1C(=O)c2ccc(NC(=O)CNc3cccc(Cl)c3F)cc2C1=O Fc1c(Cl)cccc1[*:1] CN1C(=O)c2ccc(cc2C1=O)NC(=O)CN[*:1]
C[NH2+]C[C@H]1CCCN(c2ccc(C(=O)[O-])c(F)c2F)C1 O=C([O-])[*:1] C[NH2+]C[C@H]1CCCN(C1)c1ccc(c(F)c1F)[*:1]
COc1ccc(F)cc1-c1nn(CC(=O)Nc2cnn(C)n2)c2ccccc12 Cn1ncc(n1)[*:1] COc1ccc(F)cc1-c1nn(CC(=O)N[*:1])c2ccccc12
COc1ccc(F)cc1-c1nn(CC(=O)Nc2cnn(C)n2)c2ccccc12 COc1ccc(F)cc1[*:1] Cn1ncc(n1)NC(=O)Cn1nc(c2ccccc21)[*:1]
COc1ccc(F)cc1-c1nn(CC(=O)Nc2cnn(C)n2)c2ccccc12 Cn1ncc(n1)NC(=O)[*:1] COc1ccc(F)cc1-c1nn(C[*:1])c2ccccc12
CNC(=O)c1cccnc1NC[C@@H](C)Cc1cccs1 CNC(=O)[*:1] C[C@H](CNc1ncccc1[*:1])Cc1cccs1
CNC(=O)c1cccnc1NC[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] CNC(=O)c1cccnc1NC[C@@H](C)[*:1]
CNC(=O)c1cccnc1NC[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] CNC(=O)c1cccnc1NC[C@@H](C)C[*:1]
CCNC(=O)N1CCN([C@H](C)C(=O)NC[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] CCNC(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
CCNC(=O)N1CCN([C@H](C)C(=O)NC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] CCNC(=O)N1CCN(CC1)[C@H](C)C(=O)NC[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1cc(F)c(F)cc1F C[C@@H](O)[*:1] C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(F)cc1F)C[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1cc(F)c(F)cc1F C[C@@H](O)C[*:1] C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(F)cc1F)[*:1]
Cc1cccc(Nc2ncnc(NNC(=O)c3ccccc3F)c2N)c1C Fc1ccccc1[*:1] Cc1cccc(Nc2ncnc(NNC(=O)[*:1])c2N)c1C
Cc1cccc(Nc2ncnc(NNC(=O)c3ccccc3F)c2N)c1C Cc1cccc(N[*:1])c1C Nc1c(ncnc1[*:1])NNC(=O)c1ccccc1F
Cc1cccc(Nc2ncnc(NNC(=O)c3ccccc3F)c2N)c1C Cc1cccc(c1C)[*:1] Nc1c(ncnc1N[*:1])NNC(=O)c1ccccc1F
C#CC[C@@H](C(=O)[O-])[C@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] C#CC[C@@H]([C@H]1CCS(=O)(=O)C1)[*:1]
C#CC[C@@H](C(=O)[O-])[C@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C([O-])[C@@H]([C@H]1CCS(=O)(=O)C1)[*:1]
COC(=O)c1cncc(N[C@H](C)C(N)=O)n1 C[C@H](C(N)=O)[*:1] COC(=O)c1cncc(n1)N[*:1]
COC(=O)c1cncc(N[C@H](C)C(N)=O)n1 NC(=O)[*:1] COC(=O)c1cncc(n1)N[C@H](C)[*:1]
COC(=O)c1cncc(N[C@H](C)C(N)=O)n1 COC(=O)[*:1] C[C@@H](Nc1cncc(n1)[*:1])C(N)=O
CCOc1ccc(C(C)=O)cc1Cn1c(C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] CCOc1ccc(cc1Cn1c(nc2ccccc21)[*:1])C(C)=O
CCOc1ccc(C(C)=O)cc1Cn1c(C(F)(F)F)nc2ccccc21 CC(=O)[*:1] CCOc1ccc(cc1Cn1c(nc2ccccc21)C(F)(F)F)[*:1]
CCOc1ccc(C(C)=O)cc1Cn1c(C(F)(F)F)nc2ccccc21 CCO[*:1] CC(=O)c1ccc(c(c1)Cn1c(nc2ccccc21)C(F)(F)F)[*:1]
C[C@@H](NC(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCOCC1)C(c1ccccc1)[*:1]
Cc1csc(N(C)C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 Cc1csc(n1)[*:1] CN1C(=O)C[C@@H](C(=O)N(C)[*:1])[C@@H]1c1cccnc1
Cc1csc(N(C)C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 c1cncc(c1)[*:1] Cc1csc(n1)N(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1[*:1]
CN(C)C(=O)/C=C/c1ccc(-c2ccccc2F)o1 CN(C)C(=O)[*:1] Fc1ccccc1-c1ccc(C=C[*:1])o1
COC(=O)c1sc(NC[C@H](C)O)nc1Cl COC(=O)[*:1] C[C@H](O)CNc1nc(Cl)c(s1)[*:1]
COC(=O)c1sc(NC[C@H](C)O)nc1Cl C[C@H](O)[*:1] COC(=O)c1sc(nc1Cl)NC[*:1]
COC(=O)c1sc(NC[C@H](C)O)nc1Cl C[C@H](O)CN[*:1] COC(=O)c1sc(nc1Cl)[*:1]
COC(=O)c1sc(NC[C@H](C)O)nc1Cl C[C@H](O)C[*:1] COC(=O)c1sc(nc1Cl)N[*:1]
C[C@H]1[C@@H](C)S(=O)(=O)CCN1CC(C)(C)C CC(C)(C)[*:1] C[C@H]1[C@@H](C)S(=O)(=O)CCN1C[*:1]
C[C@H]1[C@@H](C)S(=O)(=O)CCN1CC(C)(C)C CC(C)(C)C[*:1] C[C@H]1[C@@H](C)S(=O)(=O)CCN1[*:1]
Cc1ncsc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 Cc1ncsc1C[*:1] O=C(CC1CC[NH+](CC1)[*:1])N1CCCC1
Cc1ncsc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 Cc1ncsc1[*:1] O=C(CC1CC[NH+](CC1)C[*:1])N1CCCC1
Cc1ncsc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] Cc1ncsc1C[NH+]1CCC(CC1)C[*:1]
O=C(Cc1csc(NC(=O)c2ccc(F)cc2)n1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccc(F)cc1)N[*:1]
O=C(Cc1csc(NC(=O)c2ccc(F)cc2)n1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])Nc1ccc(F)cc1
Cc1ccccc1CNC(=O)[C@H](C)Nc1ccc2[nH]c(=O)[nH]c2c1 Cc1ccccc1[*:1] C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)NC[*:1]
Cc1ccccc1CNC(=O)[C@H](C)Nc1ccc2[nH]c(=O)[nH]c2c1 Cc1ccccc1C[*:1] C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N[*:1]
CCN1CCN(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(=O)C1=O O=[N+]([O-])[*:1] CCN1CCN(CC(=O)Nc2ccc(C)c(c2)[*:1])C(=O)C1=O
CCC(=O)NCC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] CCC(=O)NCC(=O)N1CCCC[C@@H]1C[*:1]
CCC(=O)NCC(=O)N1CCCC[C@@H]1CCc1ccccc1 CCC(=O)N[*:1] O=C(C[*:1])N1CCCC[C@@H]1CCc1ccccc1
CCC(=O)NCC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] CCC(=O)NCC(=O)N1CCCC[C@@H]1CC[*:1]
CCC(=O)NCC(=O)N1CCCC[C@@H]1CCc1ccccc1 CCC(=O)NC[*:1] O=C(N1CCCC[C@@H]1CCc1ccccc1)[*:1]
Cc1c(NC(=O)c2cccc(NC(=O)C(C)C)c2)cccc1[N+](=O)[O-] CC(C)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)c1cccc(c1)NC(=O)[*:1]
Cc1c(NC(=O)c2cccc(NC(=O)C(C)C)c2)cccc1[N+](=O)[O-] CC(C)C(=O)N[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)c1cccc(c1)[*:1]
Cc1c(NC(=O)c2cccc(NC(=O)C(C)C)c2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)c1cccc(c1)NC(=O)C(C)C
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H](O)C1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CC[C@H](O)C1)[*:1])OCc1ccccc1
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H](O)C1 c1ccc(cc1)C[*:1] CC(C)[C@H](NC(=O)O[*:1])C(=O)N1CC[C@H](O)C1
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H](O)C1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)OC[*:1])C(=O)N1CC[C@H](O)C1
COc1ccc(-c2ncc(C(=O)Nc3cc(OC)ccn3)s2)cc1 COc1ccc(cc1)[*:1] COc1ccnc(c1)NC(=O)c1cnc(s1)[*:1]
COc1ccc(-c2ncc(C(=O)Nc3cc(OC)ccn3)s2)cc1 COc1ccnc(c1)[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)N[*:1]
CSC[C@H]1CCCN1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] CSC[C@H]1CCCN1C(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CSC[C@H]1CCCN1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CSC[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)N1CCC[C@@H]1[*:1]
OC[C@@H](Cc1nccs1)Cc1ccccc1Cl c1csc(n1)[*:1] OC[C@H](Cc1ccccc1Cl)C[*:1]
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](c1ccco1)[NH+](C)C c1coc(c1)[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]([NH+](C)C)[*:1]
Nc1c(-c2ccc(C3CC3)cc2)[nH+]c2ccccn12 C1CC1[*:1] Nc1c([nH+]c2ccccn12)-c1ccc(cc1)[*:1]
CCO[C@@H]1C[C@@H]([O-])C12CCN(C(=O)c1cnc3c(C)cccn3c1=O)CC2 CCO[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N1CCC2(CC1)[C@H]([O-])C[C@H]2[*:1]
CN(Cc1cnn(C)c1)C(=O)c1cc(Br)ccc1Cl Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)c1cc(Br)ccc1Cl
CCOC(=O)N1CCC(NC(=O)/C=C/c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)C=C[*:1]
COC(=O)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccn1 COC(=O)[*:1] O=C(Nc1cc(F)c(F)c(F)c1)c1ccnc(c1)[*:1]
COC[C@H]([NH2+][C@H](C)c1cn(C(C)(C)C)nc1C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H]([NH2+][C@H](C)c1cn(nc1C)C(C)(C)C)[*:1]
COC[C@H]([NH2+][C@H](C)c1cn(C(C)(C)C)nc1C)c1ccc(F)c(F)c1 CC(C)(C)[*:1] COC[C@H]([NH2+][C@H](C)c1cn(nc1C)[*:1])c1ccc(F)c(F)c1
COC[C@H]([NH2+][C@H](C)c1cn(C(C)(C)C)nc1C)c1ccc(F)c(F)c1 COC[*:1] Cc1nn(cc1[C@@H](C)[NH2+][C@H](c1ccc(F)c(F)c1)[*:1])C(C)(C)C
O=C(NCc1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)[*:1]
O=C(NCc1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1Cl c1ccc(cc1)[*:1] O=C(NCc1cnn(c1)C[*:1])c1cccc(Cl)c1Cl
O=C(NCc1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1Cl c1ccc(cc1)C[*:1] O=C(NCc1cnn(c1)[*:1])c1cccc(Cl)c1Cl
C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1ccccc1[*:1]
C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N[*:1]
C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] C1CC1[*:1] C[C@H](Sc1nnc(n1-c1ccccc1)[*:1])C(=O)Nc1ccccc1[N+](=O)[O-]
C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] C[C@H](Sc1nnc(C2CC2)n1[*:1])C(=O)Nc1ccccc1[N+](=O)[O-]
COC[C@H](C)NC(=O)NC(C)(C)Cc1ccccc1C COC[C@H](C)[*:1] Cc1ccccc1CC(C)(C)NC(=O)N[*:1]
COC[C@H](C)NC(=O)NC(C)(C)Cc1ccccc1C COC[*:1] Cc1ccccc1CC(C)(C)NC(=O)N[C@@H](C)[*:1]
Cc1ccc(-n2ncc3c([O-])nc(-n4nc(C)cc4NC(=O)C4CC4)nc32)cc1 C1CC1[*:1] Cc1ccc(cc1)-n1ncc2c([O-])nc(nc21)-n1nc(C)cc1NC(=O)[*:1]
Cc1ccc(-n2ncc3c([O-])nc(-n4nc(C)cc4NC(=O)C4CC4)nc32)cc1 O=C(N[*:1])C1CC1 Cc1ccc(cc1)-n1ncc2c([O-])nc(nc21)-n1nc(C)cc1[*:1]
Cc1ccc(-n2ncc3c([O-])nc(-n4nc(C)cc4NC(=O)C4CC4)nc32)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)C2CC2)n(n1)-c1nc([O-])c2cnn(c2n1)[*:1]
C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(CCn2cc[nH+]c2)C1=O NC(=O)[*:1] C[C@]1(NC(=O)N(CCn2cc[nH+]c2)C1=O)c1cccc(c1)[*:1]
O=C(NNc1ncnc2[nH]cnc12)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NNc1ncnc2[nH]cnc12)c1ccnc(c1)O[*:1]
O=C(NNc1ncnc2[nH]cnc12)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] O=C(NNc1ncnc2[nH]cnc12)c1ccnc(c1)[*:1]
C=CC[n+]1c(C)c2cc(Cl)c(Cl)cc2n1C C=CC[*:1] Cc1c2cc(Cl)c(Cl)cc2n(C)[n+]1[*:1]
CCc1ccc([C@@H]2COCCN2Cc2cc(C(=O)OC)sc2C)o1 CCc1ccc(o1)[*:1] COC(=O)c1cc(CN2CCOC[C@H]2[*:1])c(C)s1
CCc1ccc([C@@H]2COCCN2Cc2cc(C(=O)OC)sc2C)o1 COC(=O)[*:1] CCc1ccc(o1)[C@@H]1COCCN1Cc1cc(sc1C)[*:1]
C[C@H](CCCO)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 OCCC[*:1] C[C@H](NC(=O)N1CCC(CC1)c1nc2ccccc2s1)[*:1]
C[C@H](CCCO)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 OCC[*:1] C[C@H](C[*:1])NC(=O)N1CCC(CC1)c1nc2ccccc2s1
Cc1cc(C)c(C(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)c1 c1cnc(nc1)[*:1] Cc1cc(C)c(C(=O)Nc2ccc(cc2)O[*:1])c(C)c1
Cc1cc(C)c(C(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)c1 c1cnc(nc1)O[*:1] Cc1cc(C)c(C(=O)Nc2ccc(cc2)[*:1])c(C)c1
Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1c(F)cc(F)cc1F Cc1ccccc1[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1c(F)cc(F)cc1F
O=C(c1cccs1)[C@H]1CCCN(C(=O)c2cn(Cc3cccc4ccccc34)nn2)C1 c1ccc2c(cccc2c1)[*:1] O=C(c1cccs1)[C@H]1CCCN(C1)C(=O)c1cn(C[*:1])nn1
O=C(c1cccs1)[C@H]1CCCN(C(=O)c2cn(Cc3cccc4ccccc34)nn2)C1 O=C(c1cccs1)[*:1] O=C(c1cn(Cc2cccc3ccccc23)nn1)N1CCC[C@@H](C1)[*:1]
O=C(c1cccs1)[C@H]1CCCN(C(=O)c2cn(Cc3cccc4ccccc34)nn2)C1 c1csc(c1)[*:1] O=C(c1cn(Cc2cccc3ccccc23)nn1)N1CCC[C@@H](C1)C(=O)[*:1]
Cc1ccc2nc(N3CCC(C(=O)NCCc4cccc(F)c4)CC3)nc(C)c2c1 Fc1cccc(c1)C[*:1] Cc1ccc2nc(nc(C)c2c1)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccc2nc(N3CCC(C(=O)NCCc4cccc(F)c4)CC3)nc(C)c2c1 Fc1cccc(c1)CC[*:1] Cc1ccc2nc(nc(C)c2c1)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc2nc(N3CCC(C(=O)NCCc4cccc(F)c4)CC3)nc(C)c2c1 Fc1cccc(c1)[*:1] Cc1ccc2nc(nc(C)c2c1)N1CCC(CC1)C(=O)NCC[*:1]
C[C@H]([NH2+][C@@H]1CCCc2sccc21)[C@@H](C)O C[C@@H](O)[*:1] C[C@H]([NH2+][C@@H]1CCCc2sccc21)[*:1]
Fc1ccc(CNc2c(-c3cccs3)nc3cnccn23)cc1 Fc1ccc(cc1)[*:1] c1csc(c1)-c1nc2cnccn2c1NC[*:1]
Fc1ccc(CNc2c(-c3cccs3)nc3cnccn23)cc1 c1csc(c1)[*:1] Fc1ccc(cc1)CNc1c(nc2cnccn12)[*:1]
O=C(Nc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)c1nc2ccccc2s1
Cc1nc(O)c(C(=O)[O-])c(C)c1Br O=C([O-])[*:1] Cc1nc(O)c(c(C)c1Br)[*:1]
CC[C@H](CC#N)[NH2+]Cc1cc(C(=O)[O-])cs1 O=C([O-])[*:1] CC[C@H](CC#N)[NH2+]Cc1cc(cs1)[*:1]
CC[C@H](CC#N)[NH2+]Cc1cc(C(=O)[O-])cs1 N#CC[*:1] CC[C@H]([NH2+]Cc1cc(cs1)C(=O)[O-])[*:1]
CCCCn1nc(C)c(/C=C/C(=O)N2CCO[C@H](C(N)=O)C2)c1Cl NC(=O)[*:1] CCCCn1nc(C)c(/C=C/C(=O)N2CCO[C@H](C2)[*:1])c1Cl
CCCCn1nc(C)c(/C=C/C(=O)N2CCO[C@H](C(N)=O)C2)c1Cl CCCC[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)N1CCO[C@@H](C1)C(N)=O)[*:1]
CCCCn1nc(C)c(/C=C/C(=O)N2CCO[C@H](C(N)=O)C2)c1Cl CCC[*:1] Cc1nn(C[*:1])c(Cl)c1/C=C/C(=O)N1CCO[C@@H](C1)C(N)=O
CC1CCC(NC(=O)C2CCN(c3nc4ccc(Br)cc4s3)CC2)CC1 CC1CCC(CC1)[*:1] O=C(N[*:1])C1CCN(CC1)c1nc2ccc(Br)cc2s1
CCn1/c(=N/C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)sc2cc(OC)ccc21 c1ccc(cc1)[*:1] CCn1/c(=N/C(=O)[C@@H]2CCCN(C2)S(=O)(=O)[*:1])sc2cc(ccc21)OC
BrCc1cnn(-c2cccc(Br)c2)c1C1CC1 C1CC1[*:1] BrCc1cnn(-c2cccc(Br)c2)c1[*:1]
C[NH+](C)C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[NH+](C)C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(c1)[*:1]
C[S@](=O)c1ccc(CNC(=O)c2ncncc2Cl)cc1 C[S@](=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ncncc1Cl
C[C@@]1(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CCCO1 C[C@]1(CCCO1)[*:1] C[C@]1(CCCN(C1)C(=O)[*:1])C(=O)[O-]
C[C@@]1(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CCCO1 O=C([O-])[*:1] C[C@]1(CCCO1)C(=O)N1CCC[C@@](C)(C1)[*:1]
O=C(Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 Brc1ccc(cc1)[*:1] O=C(Nn1c(nc2ccccc2c1=O)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nn1c(nc2ccccc2c1=O)-c1ccc(Br)cc1)[*:1]
O=C(Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nn1c(nc2ccccc2c1=O)-c1ccc(Br)cc1)c1cccc(c1)[*:1]
Cc1cc(NC(=O)[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@@H]([NH2+]C1CCN(CC1)C(=O)c1ccco1)[*:1]
Cc1cc(NC(=O)[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccccc2)no1 c1coc(c1)[*:1] Cc1cc(no1)NC(=O)[C@@H]([NH2+]C1CCN(CC1)C(=O)[*:1])c1ccccc1
Cc1cc(NC(=O)[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccccc2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])[C@@H]([NH2+]C1CCN(CC1)C(=O)c1ccco1)c1ccccc1
Cc1cc(NC(=O)[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccccc2)no1 Cc1cc(no1)NC(=O)[*:1] O=C(c1ccco1)N1CCC(CC1)[NH2+][C@@H](c1ccccc1)[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2C)c(C)c1 Cc1ccccc1[*:1] Cc1cc(C)c(NC(=O)CNC(=O)[*:1])c(C)c1
CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)n(C)n3)c2-c2nc3ccccc3s2)C1 Cc1cc(nn1C)[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2-c1nc2ccccc2s1
CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)n(C)n3)c2-c2nc3ccccc3s2)C1 Cc1cc(nn1C)C(=O)N[*:1] CC(=O)N1CCc2c(C1)sc(c2-c1nc2ccccc2s1)[*:1]
CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)n(C)n3)c2-c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)c1cc(C)n(C)n1)c2[*:1]
C[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1nc2ccccc2n1C c1ccc(cc1)[*:1] C[C@@H]([NH2+]CC(=O)N[*:1])c1nc2ccccc2n1C
O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCCC1 Fc1ccc(cc1Cl)[*:1] O=C(Cc1ccc(cc1)NS(=O)(=O)[*:1])N1CCCC1
O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(Nc1ccc(cc1)C[*:1])c1ccc(F)c(Cl)c1
O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc(F)c(Cl)c1
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)c1 Cc1cccc(c1)[*:1] Cn1c(C[NH+]2CCCCC2)nc2cc(ccc21)NC(=O)CO[*:1]
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)c1 Cc1cccc(c1)O[*:1] Cn1c(C[NH+]2CCCCC2)nc2cc(ccc21)NC(=O)C[*:1]
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)c1 Cc1cccc(c1)OC[*:1] Cn1c(C[NH+]2CCCCC2)nc2cc(ccc21)NC(=O)[*:1]
O=C(CO)Nc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 O=C(CO)N[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1ccccc1Cl
O=C(CO)Nc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 Clc1ccccc1[*:1] O=C(CO)Nc1cccc(c1)[N-]S(=O)(=O)[*:1]
C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)Cc1ccc(Cl)cc1 Cn1cc(cn1)[*:1] C[C@@H](CC(=O)N[C@@H]1CCCN(C1)[*:1])Cc1ccc(Cl)cc1
C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@@H](CC(=O)N[C@@H]1CCCN(C1)c1cnn(C)c1)[*:1]
C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)N[C@@H]1CCCN(C1)c1cnn(C)c1)C[*:1]
CC(C)CNC(=O)N1CCN(Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)CC1 CC(C)C[*:1] CC(C)NC(=O)c1ccc2c(c1)nc(CN1CCN(CC1)C(=O)N[*:1])n2C
CC(C)CNC(=O)N1CCN(Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)CC1 CC(C)[*:1] CC(C)CNC(=O)N1CCN(CC1)Cc1nc2cc(ccc2n1C)C(=O)N[*:1]
CC(C)CNC(=O)N1CCN(Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)CC1 CC(C)NC(=O)[*:1] CC(C)CNC(=O)N1CCN(CC1)Cc1nc2cc(ccc2n1C)[*:1]
CC(C)CNC(=O)N1CCN(Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)CC1 CC(C)[*:1] CC(C)NC(=O)c1ccc2c(c1)nc(CN1CCN(CC1)C(=O)NC[*:1])n2C
CCn1nc(C)c(S(=O)(=O)NCc2ccc(C)cc2N(C)C)c1C CN(C)[*:1] CCn1nc(C)c(c1C)S(=O)(=O)NCc1ccc(C)cc1[*:1]
O=CNc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc1 Clc1ccccc1[*:1] O=CNc1ccc(cc1)C(=O)N[C@H]1CCCN(C1)[*:1]
O=CNc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc1 O=CN[*:1] O=C(N[C@H]1CCCN(C1)c1ccccc1Cl)c1ccc(cc1)[*:1]
Cc1ccc(C(C)C)cc1Oc1cc(C(F)(F)F)nc2ncnn12 FC(F)(F)[*:1] Cc1ccc(cc1Oc1cc(nc2ncnn12)[*:1])C(C)C
Cc1ccc(C(C)C)cc1Oc1cc(C(F)(F)F)nc2ncnn12 CC(C)[*:1] Cc1ccc(cc1Oc1cc(nc2ncnn12)C(F)(F)F)[*:1]
C#C[C@H](C)Oc1ccc(C)cc1 C#C[C@H](C)[*:1] Cc1ccc(cc1)O[*:1]
CCCn1c([C@H](C)NC(=O)[C@H]2CCCO2)nc2ccccc21 CCC[*:1] C[C@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1[*:1]
CCCn1c([C@H](C)NC(=O)[C@H]2CCCO2)nc2ccccc21 C1CO[C@H](C1)[*:1] CCCn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
COc1ccc(N2C[C@H](C(=O)NCCC(C)C)CC2=O)c(OC)c1 CC(C)C[*:1] COc1ccc(c(c1)OC)N1C[C@@H](CC1=O)C(=O)NC[*:1]
COc1ccc(N2C[C@H](C(=O)NCCC(C)C)CC2=O)c(OC)c1 CC(C)[*:1] COc1ccc(c(c1)OC)N1C[C@@H](CC1=O)C(=O)NCC[*:1]
COc1ccc(N2C[C@H](C(=O)NCCC(C)C)CC2=O)c(OC)c1 CC(C)CCNC(=O)[*:1] COc1ccc(c(c1)OC)N1C[C@H](CC1=O)[*:1]
COc1ccc(N2C[C@H](C(=O)NCCC(C)C)CC2=O)c(OC)c1 CC(C)CC[*:1] COc1ccc(c(c1)OC)N1C[C@@H](CC1=O)C(=O)N[*:1]
CC(C)N1C[C@H](C(=O)OCCc2cccs2)CC1=O CC(C)[*:1] O=C(OCCc1cccs1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)N1C[C@H](C(=O)OCCc2cccs2)CC1=O c1csc(c1)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)OCC[*:1]
CC(C)N1C[C@H](C(=O)OCCc2cccs2)CC1=O c1csc(c1)C[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)OC[*:1]
Clc1ccc2c(c1)=[NH+][C@@H](c1ccc(Oc3ncccn3)cc1)[NH+]=2 c1cnc(nc1)[*:1] Clc1ccc2=[NH+][C@@H]([NH+]=c2c1)c1ccc(cc1)O[*:1]
Clc1ccc2c(c1)=[NH+][C@@H](c1ccc(Oc3ncccn3)cc1)[NH+]=2 c1cnc(nc1)O[*:1] Clc1ccc2=[NH+][C@@H]([NH+]=c2c1)c1ccc(cc1)[*:1]
Cc1ccc([C@H](C)Nc2ccc(S(C)(=O)=O)nc2)cc1F CS(=O)(=O)[*:1] Cc1ccc(cc1F)[C@H](C)Nc1ccc(nc1)[*:1]
Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](C)[*:1]
C[C@@H]([NH2+][C@@H]1CCc2c(Br)cccc21)c1ccsc1 c1cc(cs1)[*:1] C[C@@H]([NH2+][C@@H]1CCc2c(Br)cccc21)[*:1]
CCOC(=O)/C(Cc1ccc([N+](=O)[O-])cc1)=N/O O=[N+]([O-])[*:1] CCOC(=O)/C(Cc1ccc(cc1)[*:1])=N/O
Nc1c(Cl)cc(NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1Cl S=c1[nH]ccn1[*:1] Nc1c(Cl)cc(cc1Cl)NC(=O)c1ccc(cc1)[*:1]
O=C1[C@H]([NH+]2CCC3(CC2)OCCO3)CCN1c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C1[C@@H](CCN1[*:1])[NH+]1CCC2(CC1)OCCO2
CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCCOC COCC[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCCOC COC[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)NC[*:1]
Cc1ccc(OCc2cc(C)on2)c(CC[NH3+])n1 Cc1cc(no1)[*:1] Cc1ccc(OC[*:1])c(CC[NH3+])n1
C[C@@H]1CCN(C(=O)Nc2ccccc2N2CCCCC2)C[C@H]1O C1CCN(CC1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)Nc1ccccc1[*:1]
Cc1cnc2c(c1)nc(CCCl)n2C[C@]1(C)CCCO1 ClCC[*:1] Cc1cnc2c(c1)nc(n2C[C@]1(C)CCCO1)[*:1]
CC[C@H](Nc1cnn(C)c1)/C(N)=N/O N/C(=N\O)[*:1] CC[C@H](Nc1cnn(C)c1)[*:1]
Cc1cc(OC[C@H](O)CNC(=O)c2cc(C)c(C)[nH]c2=O)ccc1Cl Cc1cc(ccc1Cl)[*:1] Cc1cc(C(=O)NC[C@@H](O)CO[*:1])c(=O)[nH]c1C
C[C@](O)(CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccsc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)[C@@H]1C[C@H]1[*:1])c1ccsc1
C[C@](O)(CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[*:1]
O=S(=O)([O-])c1ccc2[nH]cnc2c1 O=S(=O)([O-])[*:1] c1nc2cc(ccc2[nH]1)[*:1]
O=C(CSc1nnc(NC(=O)Cc2ccc(F)cc2)s1)Nc1ccc(Br)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(NC(=O)C[*:1])s1)Nc1ccc(Br)cc1
O=C(CSc1nnc(NC(=O)Cc2ccc(F)cc2)s1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)N[*:1])s1
O=C(CSc1nnc(NC(=O)Cc2ccc(F)cc2)s1)Nc1ccc(Br)cc1 Fc1ccc(cc1)C[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)Nc1ccc(Br)cc1
C/C(=N\S(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2ccccc2)C1 Cc1ccc(cc1)[*:1] C/C(=N\S(=O)(=O)[*:1])N1CCN(C1)S(=O)(=O)c1ccccc1
C/C(=N\S(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C/C(=N\S(=O)(=O)c1ccc(C)cc1)N1CCN(C1)S(=O)(=O)[*:1]
Cc1ccc(-c2ncc(CN3CCC[C@H](n4cccn4)C3)s2)cc1 c1cnn(c1)[*:1] Cc1ccc(cc1)-c1ncc(CN2CCC[C@H](C2)[*:1])s1
Cc1ccc(-c2ncc(CN3CCC[C@H](n4cccn4)C3)s2)cc1 Cc1ccc(cc1)[*:1] c1cnn(c1)[C@H]1CCCN(Cc2cnc(s2)[*:1])C1
Cc1nc(C(=O)N2CCN(c3ccc(-c4noc(C(F)(F)F)n4)c[nH+]3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C(F)(F)F)[*:1]
Cc1nc(C(=O)N2CCN(c3ccc(-c4noc(C(F)(F)F)n4)c[nH+]3)CC2)cs1 FC(F)(F)[*:1] Cc1nc(cs1)C(=O)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
Cc1nc(C(=O)N2CCN(c3ccc(-c4noc(C(F)(F)F)n4)c[nH+]3)CC2)cs1 FC(F)(F)c1nc(no1)[*:1] Cc1nc(cs1)C(=O)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)n1C Cc1occc1[*:1] C[C@H]1CCC[C@H](NC(=O)CSc2nnc(n2C)[*:1])[C@H]1C
CCN1C[C@H](C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CC1=O Fc1cccc(c1)[*:1] CCN1C[C@@H](CC1=O)C(=O)N1CCN(C[*:1])C(=O)C1
CCN1C[C@H](C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CC1=O Fc1cccc(c1)C[*:1] CCN1C[C@@H](CC1=O)C(=O)N1CCN(C(=O)C1)[*:1]
O=c1oc(-c2ccco2)nc2cc(Cl)ccc12 c1coc(c1)[*:1] O=c1oc(nc2cc(Cl)ccc12)[*:1]
CC1=Nc2ncnn2[C@H](c2ccc(F)cc2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC1=Nc2ncnn2[C@H](c2ccc(F)cc2)[C@H]1[*:1]
CC1CCC2(CC1)NC(=O)N(NC(=O)CNC(=O)c1cccs1)C2=O c1csc(c1)[*:1] CC1CCC2(CC1)NC(=O)N(NC(=O)CNC(=O)[*:1])C2=O
CC1CCC2(CC1)NC(=O)N(NC(=O)CNC(=O)c1cccs1)C2=O O=C(N[*:1])c1cccs1 CC1CCC2(CC1)NC(=O)N(NC(=O)C[*:1])C2=O
COCCSc1ccc(C(N)=[NH2+])cn1 COCC[*:1] NC(=[NH2+])c1ccc(nc1)S[*:1]
COCCSc1ccc(C(N)=[NH2+])cn1 NC(=[NH2+])[*:1] COCCSc1ccc(cn1)[*:1]
COCCSc1ccc(C(N)=[NH2+])cn1 COC[*:1] NC(=[NH2+])c1ccc(nc1)SC[*:1]
CCCc1noc2c1/C(=N/OC(C)=O)CC(C)(C)C2 CCC[*:1] CC(=O)O/N=C1\CC(C)(C)Cc2onc(c21)[*:1]
COc1ccc([C@@H](C)N(C)c2ccc([N+](=O)[O-])cn2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H](C)N(C)c1ccc(cn1)[*:1]
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N/C(C#N)=C(\N)C#N)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)Sc1ccc(cc1/C=N/C(C#N)=C(\N)C#N)[*:1]
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N/C(C#N)=C(\N)C#N)cc1 Cc1ccc(cc1)[*:1] N#C/C(N)=C(C#N)/N=C/c1cc(ccc1S[*:1])[N+](=O)[O-]
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N/C(C#N)=C(\N)C#N)cc1 Cc1ccc(cc1)S[*:1] N#C/C(N)=C(C#N)/N=C/c1cc(ccc1[*:1])[N+](=O)[O-]
COc1cc(OC)c(NC(=O)/C=C/C2CCCCC2)cc1F C1CCC(CC1)[*:1] COc1cc(OC)c(cc1F)NC(=O)C=C[*:1]
CC(C)(O)CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CC(C)(O)CNC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CC(C)(O)CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1 CC(C)(O)C[*:1] O=C(Cc1ccc(cc1)NC(=O)C1CC1)N[*:1]
CC(C)(O)CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CC(C)(O)CNC(=O)Cc1ccc(cc1)[*:1]
CC(C)(O)CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1 CC(C)(O)[*:1] O=C(Cc1ccc(cc1)NC(=O)C1CC1)NC[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)Nc1cc(C)cc2cccnc12 COc1ccccc1[*:1] Cc1cc(NC(=O)N(C)[C@@H](C)[*:1])c2ncccc2c1
CC(C)(C)Oc1ccccc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1 CC(C)(C)O[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1ccccc1[*:1]
CC(C)(C)Oc1ccccc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1 CC(C)(C)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1ccccc1O[*:1]
CC(C)(C)Oc1ccccc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C)Oc1ccccc1NC(=O)C[C@@H](O)[*:1]
Cc1ccc(N2CC[NH2+][C@@H](C(C)C)C2)c(C)[nH+]1 CC(C)[*:1] Cc1ccc(c(C)[nH+]1)N1CC[NH2+][C@@H](C1)[*:1]
CCC1=C(C)C[C@H](C(=O)NC/C([O-])=N/c2nc(-c3ccc(OC)cc3)n[nH]2)S1 COc1ccc(cc1)[*:1] CCC1S[C@H](CC=1C)C(=O)NC/C([O-])=N/c1nc(n[nH]1)[*:1]
CCCCOc1ccccc1C(=O)Nc1cccc(OC)c1 CCCCO[*:1] COc1cccc(c1)NC(=O)c1ccccc1[*:1]
CCCCOc1ccccc1C(=O)Nc1cccc(OC)c1 CCC[*:1] COc1cccc(c1)NC(=O)c1ccccc1OC[*:1]
CCCCOc1ccccc1C(=O)Nc1cccc(OC)c1 CCCC[*:1] COc1cccc(c1)NC(=O)c1ccccc1O[*:1]
O=c1[nH]ncc(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1Cl Clc1ccc(cc1)[*:1] O=c1[nH]ncc(N[C@@H]2CCO[C@@H]2[*:1])c1Cl
CCC[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC CCC[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)[C@@H](C)[*:1]
CCC[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC CCC[C@H](C)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)[*:1]
CCC[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC CCC[*:1] CCC[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
O=C([O-])c1ccc(C[NH2+][C@@H]2CCCc3sccc32)nc1 O=C([O-])[*:1] c1cc2c(CCC[C@H]2[NH2+]Cc2ccc(cn2)[*:1])s1
C[C@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)C1 c1ccc(C[*:1])nc1 C[C@H]1CCCN(C1)S(=O)(=O)N1CCN(CC1)[*:1]
C[C@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)C1 c1ccc(nc1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)N1CCN(CC1)C[*:1]
C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1n1cncn1 c1ncn(n1)[*:1] C[NH2+][C@@H]1c2cc(ccc2CC[C@@H]1[*:1])OC
CCN(Cc1ccccn1)C(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCN(Cc1ccccn1)C(=O)Nc1ccc(cc1)[*:1]
CCN(Cc1ccccn1)C(=O)Nc1ccc(C(F)(F)F)cc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
CCN(Cc1ccccn1)C(=O)Nc1ccc(C(F)(F)F)cc1 c1ccc(C[*:1])nc1 CCN(C(=O)Nc1ccc(cc1)C(F)(F)F)[*:1]
CCCc1noc(CNc2cc(C(F)(F)F)ccc2NC(C)=O)n1 CCC[*:1] CC(=O)Nc1ccc(cc1NCc1nc(no1)[*:1])C(F)(F)F
CCCc1noc(CNc2cc(C(F)(F)F)ccc2NC(C)=O)n1 CCCc1noc(n1)[*:1] CC(=O)Nc1ccc(cc1NC[*:1])C(F)(F)F
CCCc1noc(CNc2cc(C(F)(F)F)ccc2NC(C)=O)n1 CC(=O)N[*:1] CCCc1noc(CNc2cc(ccc2[*:1])C(F)(F)F)n1
CCCc1noc(CNc2cc(C(F)(F)F)ccc2NC(C)=O)n1 FC(F)(F)[*:1] CCCc1noc(CNc2cc(ccc2NC(C)=O)[*:1])n1
Cc1sc(-c2ccco2)nc1C(=O)OC[C@H]1CCC(=O)N1 O=C1CC[C@H](C[*:1])N1 Cc1sc(nc1C(=O)O[*:1])-c1ccco1
Cc1sc(-c2ccco2)nc1C(=O)OC[C@H]1CCC(=O)N1 O=C1CC[C@@H](N1)[*:1] Cc1sc(nc1C(=O)OC[*:1])-c1ccco1
Cc1sc(-c2ccco2)nc1C(=O)OC[C@H]1CCC(=O)N1 c1coc(c1)[*:1] Cc1sc(nc1C(=O)OC[C@H]1CCC(=O)N1)[*:1]
CC(C)Cc1ccc(-c2nccc(NN)n2)cc1 CC(C)[*:1] NNc1ccnc(n1)-c1ccc(cc1)C[*:1]
CC(C)Cc1ccc(-c2nccc(NN)n2)cc1 CC(C)C[*:1] NNc1ccnc(n1)-c1ccc(cc1)[*:1]
COc1ccc(NC(=O)C[NH2+]C2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)NC(=O)C[NH2+][*:1]
CC(C)CC[C@H](C)NC(=O)c1ccc(=O)n(C)c1 CC(C)[*:1] C[C@@H](CC[*:1])NC(=O)c1ccc(=O)n(C)c1
CC(C)CC[C@H](C)NC(=O)c1ccc(=O)n(C)c1 CC(C)CC[*:1] C[C@H](NC(=O)c1ccc(=O)n(C)c1)[*:1]
CC(C)CC[C@H](C)NC(=O)c1ccc(=O)n(C)c1 CC(C)C[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(=O)n(C)c1
COc1ccc(Cl)cc1CC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] COc1ccc(Cl)cc1CC(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1cccc(C[C@H](C)NC(=O)COc2c(C)cccc2C)c1 COc1cccc(c1)[*:1] Cc1cccc(C)c1OCC(=O)N[C@@H](C)C[*:1]
COc1cccc(C[C@H](C)NC(=O)COc2c(C)cccc2C)c1 Cc1cccc(C)c1[*:1] COc1cccc(c1)C[C@H](C)NC(=O)CO[*:1]
C[C@H](NC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@@H]1CCCO1 c1nnnn1[*:1] C[C@H](NC(=O)Nc1cc(ccc1F)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)Nc1cc(ccc1F)-n1cnnn1)[*:1]
O=C(Cc1csc(-c2cccs2)n1)OC[C@H]1CC1(Cl)Cl c1csc(c1)[*:1] O=C(Cc1csc(n1)[*:1])OC[C@H]1CC1(Cl)Cl
C#CC[C@@H](C)OC(=O)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C#CC[C@@H](C)OC(=O)c1ccc(cc1)[*:1]
C#CC[C@@H](C)OC(=O)c1ccc(-n2cccn2)cc1 C#CC[*:1] C[C@@H](OC(=O)c1ccc(cc1)-n1cccn1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C Cc1nn(C)cc1[C@@H](C)[*:1] CC(C)(C)OC(=O)N1[C@@H](C[C@@H]2CCCC[C@@H]21)C(=O)N[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)O[*:1]
O=C1C[C@@H](C(=O)Nc2ccccc2F)[C@H]2C(=O)N=C(SCc3ccc(Cl)cc3)N=C2N1 Clc1ccc(cc1)C[*:1] O=C1C[C@@H](C(=O)Nc2ccccc2F)[C@H]2C(=O)N=C(N=C2N1)S[*:1]
O=C1C[C@@H](C(=O)Nc2ccccc2F)[C@H]2C(=O)N=C(SCc3ccc(Cl)cc3)N=C2N1 Clc1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)Nc2ccccc2F)[C@H]2C(=O)N=C(N=C2N1)SC[*:1]
O=C1C[C@@H](C(=O)Nc2ccccc2F)[C@H]2C(=O)N=C(SCc3ccc(Cl)cc3)N=C2N1 O=C(Nc1ccccc1F)[*:1] O=C1C[C@@H]([C@H]2C(=O)N=C(N=C2N1)SCc1ccc(Cl)cc1)[*:1]
O=C1C[C@@H](C(=O)Nc2ccccc2F)[C@H]2C(=O)N=C(SCc3ccc(Cl)cc3)N=C2N1 Fc1ccccc1[*:1] O=C1C[C@@H](C(=O)N[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1ccc(Cl)cc1
C[C@H]1[NH+]=c2ccc(Cl)cc2=C1CCNC(=S)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]1[NH+]=c2ccc(Cl)cc2=C1CCNC(=S)N[*:1]
Cc1cc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)ccc1F Cc1cc(ccc1F)[*:1] O=S(=O)(c1cccs1)[C@H](CNS(=O)(=O)[*:1])c1ccc(F)cc1
Cc1cc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)ccc1F O=S(=O)(c1cccs1)[*:1] Cc1cc(ccc1F)S(=O)(=O)NC[C@H](c1ccc(F)cc1)[*:1]
Cc1cc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)ccc1F c1csc(c1)[*:1] Cc1cc(ccc1F)S(=O)(=O)NC[C@H](c1ccc(F)cc1)S(=O)(=O)[*:1]
Cc1cc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)ccc1F Fc1ccc(cc1)[*:1] Cc1cc(ccc1F)S(=O)(=O)NC[C@H](S(=O)(=O)c1cccs1)[*:1]
Cc1ccsc1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl Cc1ccsc1[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C[*:1]
Cc1cc(C)cc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)c1 Brc1ccccc1[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[*:1]
Cc1cc(C)cc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)c1 CS(=O)(=O)C[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](C[*:1])NC(=O)c1ccccc1Br
Cc1cc(C)cc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)c1 Cc1cc(C)cc(c1)[*:1] CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)N[*:1]
Cc1cc(C)cc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)c1 CS(=O)(=O)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](CC[*:1])NC(=O)c1ccccc1Br
Cc1cc(C)cc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)c1 CS(=O)(=O)CC[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](NC(=O)c1ccccc1Br)[*:1]
CC(C)CNC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 CC(C)C[*:1] C[C@@H](NC(=O)N[*:1])c1nc(no1)C1CCCCC1
CC(C)CNC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 CC(C)[*:1] C[C@@H](NC(=O)NC[*:1])c1nc(no1)C1CCCCC1
CC(C)CNC(=O)N[C@H](C)c1nc(C2CCCCC2)no1 C1CCC(CC1)[*:1] CC(C)CNC(=O)N[C@H](C)c1nc(no1)[*:1]
CCn1c(=O)n(CC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c2ccccc21 c1ccc2sc(nc2c1)[*:1] CCn1c(=O)n(CC(=O)N(C[C@@H]2CCCO2)[*:1])c2ccccc21
Cc1nc(-n2nnc(C(=O)Nc3cccc4cccnc34)c2C)sc1C Cc1nc(sc1C)[*:1] Cc1c(nnn1[*:1])C(=O)Nc1cccc2cccnc12
Cc1ccc(S(=O)(=O)c2c(C)cc(C)[nH+]c2N2CCN(c3ccccc3F)CC2)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] Cc1cc(C)c(c([nH+]1)N1CCN(CC1)c1ccccc1F)[*:1]
Cc1ccc(S(=O)(=O)c2c(C)cc(C)[nH+]c2N2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)[nH+]c1N1CCN(CC1)[*:1]
Cc1ccc(S(=O)(=O)c2c(C)cc(C)[nH+]c2N2CCN(c3ccccc3F)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c(c([nH+]1)N1CCN(CC1)c1ccccc1F)S(=O)(=O)[*:1]
CC[C@@H](C)S(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@@H](C)S(=O)(=O)c1oc(nc1S(=O)(=O)[*:1])-c1cccs1
CC[C@@H](C)S(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 c1csc(c1)[*:1] CC[C@@H](C)S(=O)(=O)c1oc(nc1S(=O)(=O)c1ccc(F)cc1)[*:1]
Cc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NN=C[*:1])c1ccc(cc1)NS(=O)(=O)c1ccccc1
Cc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(/C=N/NC(=O)c2ccc(cc2)NS(=O)(=O)[*:1])cc1
COc1ccc(CN(C2CC2)S(C)(=O)=O)cc1 C1CC1[*:1] COc1ccc(cc1)CN(S(C)(=O)=O)[*:1]
CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[NH+]1CCSCC1 c1csc(c1)[*:1] CCCN(Cc1nnc(o1)[*:1])C(=O)C[NH+]1CCSCC1
CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[NH+]1CCSCC1 CCC[*:1] O=C(C[NH+]1CCSCC1)N(Cc1nnc(o1)-c1cccs1)[*:1]
COc1ccc([C@@H](NC(=O)N(C)C2CCCCC2)c2nccn2C)cc1 Cn1ccnc1[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(C)C1CCCCC1)[*:1]
COc1ccc([C@@H](NC(=O)N(C)C2CCCCC2)c2nccn2C)cc1 COc1ccc(cc1)[*:1] CN(C(=O)N[C@@H](c1nccn1C)[*:1])C1CCCCC1
COc1ccc([C@@H](NC(=O)N(C)C2CCCCC2)c2nccn2C)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(C)[*:1])c1nccn1C
Cc1c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H](C[NH+](C)C)c1ccccc1
Cc1c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N[C@H](C[NH+](C)C)[*:1]
C[C@@H]([NH2+][C@@H]1CCc2c(F)ccc(Br)c21)[C@@H]1CN(C)CCO1 CN1CCO[C@@H](C1)[*:1] C[C@@H]([NH2+][C@@H]1CCc2c(F)ccc(Br)c21)[*:1]
C[C@H](Cn1cncn1)NC(=O)NC[C@@H](O)c1ccccc1Cl c1ncn(n1)[*:1] C[C@H](C[*:1])NC(=O)NC[C@@H](O)c1ccccc1Cl
C[C@H](Cn1cncn1)NC(=O)NC[C@@H](O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](Cn1cncn1)NC(=O)NC[C@@H](O)[*:1]
C[C@H](Cn1cncn1)NC(=O)NC[C@@H](O)c1ccccc1Cl c1ncn(C[*:1])n1 C[C@H](NC(=O)NC[C@@H](O)c1ccccc1Cl)[*:1]
CC[C@H](CCO)CNC(=O)c1cc2c(F)cccc2s1 OCC[*:1] CC[C@H](CNC(=O)c1cc2c(F)cccc2s1)[*:1]
CC[C@H](CCO)CNC(=O)c1cc2c(F)cccc2s1 CC[C@H](CCO)[*:1] O=C(NC[*:1])c1cc2c(F)cccc2s1
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)C[C@@H]1CSCC[NH2+]1 O=C([O-])[*:1] O=C(C[C@@H]1CSCC[NH2+]1)N1C[C@H](O)C[C@@H]1[*:1]
C[NH+](C)[C@H](C(N)=O)c1ccc(F)cc1 NC(=O)[*:1] C[NH+](C)[C@H](c1ccc(F)cc1)[*:1]
CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)c(C)o2)cc1 COc1ccc(c(c1)OC)[*:1] CNC(=O)c1ccc(cc1)-c1nc(CN2CCN(CC2)C(=O)N[*:1])c(C)o1
CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)c(C)o2)cc1 CNC(=O)[*:1] COc1ccc(NC(=O)N2CCN(CC2)Cc2nc(oc2C)-c2ccc(cc2)[*:1])c(c1)OC
CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)c(C)o2)cc1 CNC(=O)c1ccc(cc1)[*:1] COc1ccc(NC(=O)N2CCN(CC2)Cc2nc(oc2C)[*:1])c(c1)OC
CCOC(=O)C(=O)N1CCC[C@@H]1c1nc(C2CC2)no1 C1CC1[*:1] CCOC(=O)C(=O)N1CCC[C@@H]1c1nc(no1)[*:1]
COCCN1C(=O)CCC[C@H]([NH3+])[C@H]1c1cnn(C)c1C COC[*:1] Cc1c(cnn1C)[C@@H]1[C@@H]([NH3+])CCCC(=O)N1C[*:1]
COCCN1C(=O)CCC[C@H]([NH3+])[C@H]1c1cnn(C)c1C COCC[*:1] Cc1c(cnn1C)[C@@H]1[C@@H]([NH3+])CCCC(=O)N1[*:1]
Cc1cccc(C)c1OCC(=O)N/N=C/c1c(C)n(C)c2ccccc12 Cc1cccc(C)c1[*:1] Cc1c(/C=N/NC(=O)CO[*:1])c2ccccc2n1C
O=C(Nc1ccc(-c2csnn2)cc1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 c1snnc1[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)C1CC1
O=C(Nc1ccc(-c2csnn2)cc1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] O=C(Nc1ccc(cc1)-c1csnn1)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
O=[N+]([O-])c1cccc(-c2ccc(SCc3ccc(F)c(F)c3)nn2)c1 Fc1ccc(cc1F)[*:1] O=[N+]([O-])c1cccc(c1)-c1ccc(nn1)SC[*:1]
O=[N+]([O-])c1cccc(-c2ccc(SCc3ccc(F)c(F)c3)nn2)c1 O=[N+]([O-])[*:1] Fc1ccc(cc1F)CSc1ccc(nn1)-c1cccc(c1)[*:1]
CSc1nc(C2CC2)nc(C)c1C(=O)NC[C@H](C)Oc1ccc(C)cc1 Cc1ccc(cc1)O[*:1] CSc1nc(nc(C)c1C(=O)NC[C@H](C)[*:1])C1CC1
CSc1nc(C2CC2)nc(C)c1C(=O)NC[C@H](C)Oc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CSc1nc(nc(C)c1C(=O)NC[C@H](C)O[*:1])C1CC1
CSc1nc(C2CC2)nc(C)c1C(=O)NC[C@H](C)Oc1ccc(C)cc1 C1CC1[*:1] CSc1nc(nc(C)c1C(=O)NC[C@H](C)Oc1ccc(C)cc1)[*:1]
CC(C)NC(=O)c1cccc(-c2noc(/C=C/c3cccs3)n2)c1 CC(C)NC(=O)[*:1] C(=C/c1cccs1)\c1nc(no1)-c1cccc(c1)[*:1]
CC(C)NC(=O)c1cccc(-c2noc(/C=C/c3cccs3)n2)c1 c1csc(c1)[*:1] CC(C)NC(=O)c1cccc(c1)-c1noc(C=C[*:1])n1
CC(C)NC(=O)c1cccc(-c2noc(/C=C/c3cccs3)n2)c1 C(=C[*:1])c1cccs1 CC(C)NC(=O)c1cccc(c1)-c1noc(n1)[*:1]
CC(C)NC(=O)c1cccc(-c2noc(/C=C/c3cccs3)n2)c1 CC(C)[*:1] O=C(N[*:1])c1cccc(c1)-c1noc(/C=C/c2cccs2)n1
COCC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2nc(C(C)C)no2)CC1 CC(C)c1noc(n1)[*:1] COCC(=O)N1CCC(CC1)C(=O)N1CCC[C@H]1[*:1]
COCC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2nc(C(C)C)no2)CC1 COC[*:1] CC(C)c1noc(n1)[C@H]1CCCN1C(=O)C1CCN(CC1)C(=O)[*:1]
COCC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2nc(C(C)C)no2)CC1 CC(C)[*:1] COCC(=O)N1CCC(CC1)C(=O)N1CCC[C@@H]1c1nc(no1)[*:1]
CCCn1nc(-n2cnnc2)c(NS(=O)(=O)c2cc(Cl)ccc2OC)c1C COc1ccc(Cl)cc1[*:1] CCCn1nc(c(NS(=O)(=O)[*:1])c1C)-n1cnnc1
CCCn1nc(-n2cnnc2)c(NS(=O)(=O)c2cc(Cl)ccc2OC)c1C c1nncn1[*:1] CCCn1nc(c(NS(=O)(=O)c2cc(Cl)ccc2OC)c1C)[*:1]
CCCn1nc(-n2cnnc2)c(NS(=O)(=O)c2cc(Cl)ccc2OC)c1C CCC[*:1] COc1ccc(Cl)cc1S(=O)(=O)Nc1c(nn(c1C)[*:1])-n1cnnc1
Cc1cccc(-c2nnn3c2nc(N2CCCC2)c2cc(Cl)ccc23)c1 Cc1cccc(c1)[*:1] Clc1ccc2c(c1)c(nc1c(nnn12)[*:1])N1CCCC1
Cc1cccc(-c2nnn3c2nc(N2CCCC2)c2cc(Cl)ccc23)c1 C1CCN(C1)[*:1] Cc1cccc(c1)-c1nnn2c1nc(c1cc(Cl)ccc12)[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O NS(=O)(=O)[*:1] C=CCn1c(nc2cc(Cl)ccc2c1=O)S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O NS(=O)(=O)c1ccc(cc1)[*:1] C=CCn1c(nc2cc(Cl)ccc2c1=O)S[C@H](C)C(=O)N[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O C=CC[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
CCC[C@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)[*:1] CCC[C@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)OC[*:1]
CCC[C@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)C[*:1] CCC[C@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)O[*:1]
CCC[C@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F CCC[*:1] O=C(N[C@@H]1C[C@@H]1[*:1])[C@@H]1CCCN1C(=O)OCC(F)(F)F
Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4ccc(C)c(Cl)c4)c(C)n3)c2)no1 Cc1nc(no1)[*:1] Cc1ccc(cc1Cl)NC(=O)c1cn(nc1C)-c1cc(ccc1C)[*:1]
Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4ccc(C)c(Cl)c4)c(C)n3)c2)no1 Cc1ccc(cc1Cl)[*:1] Cc1nc(no1)-c1ccc(C)c(c1)-n1cc(C(=O)N[*:1])c(C)n1
Cc1c(Cl)cccc1OCC(=O)NC[C@](C)(O)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1OCC(=O)NC[C@](C)(O)[*:1]
CC(C)NC(=O)NC(=O)[C@H](C)Nc1ccc(NC(=O)C2CC2)cc1 CC(C)[*:1] C[C@H](Nc1ccc(cc1)NC(=O)C1CC1)C(=O)NC(=O)N[*:1]
CC(C)NC(=O)NC(=O)[C@H](C)Nc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CC(C)NC(=O)NC(=O)[C@H](C)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)NC(=O)NC(=O)[C@H](C)Nc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CC(C)NC(=O)NC(=O)[C@H](C)Nc1ccc(cc1)[*:1]
O=C(/C=C/c1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(F)cc1F O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(F)cc1)Nc1cc(c(F)cc1F)[*:1]
O=C(/C=C/c1ccc(F)cc1)Nc1cc([N+](=O)[O-])c(F)cc1F Fc1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1cc(c(F)cc1F)[N+](=O)[O-]
CCN(Cc1ccccc1)c1ccc(-c2noc(C[NH+]3CCCC3)n2)cn1 c1ccc(cc1)[*:1] CCN(C[*:1])c1ccc(cn1)-c1noc(C[NH+]2CCCC2)n1
CCN(Cc1ccccc1)c1ccc(-c2noc(C[NH+]3CCCC3)n2)cn1 c1ccc(cc1)C[*:1] CCN(c1ccc(cn1)-c1noc(C[NH+]2CCCC2)n1)[*:1]
CN(CCC[NH3+])C(=O)COc1ccc(C(N)=O)cc1 NC(=O)[*:1] CN(CCC[NH3+])C(=O)COc1ccc(cc1)[*:1]
COc1cc(CN2CCS(=O)(=O)C(C)(C)C2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])CN1CCS(=O)(=O)C(C)(C)C1
COc1cc(CN2CCS(=O)(=O)C(C)(C)C2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])CN1CCS(=O)(=O)C(C)(C)C1
Cc1cccc(OC2CCN(C(=O)c3coc(CN4CCOCC4)c3)CC2)c1 C1CN(CCO1)C[*:1] Cc1cccc(c1)OC1CCN(CC1)C(=O)c1coc(c1)[*:1]
Cc1cccc(OC2CCN(C(=O)c3coc(CN4CCOCC4)c3)CC2)c1 Cc1cccc(c1)[*:1] O=C(c1coc(c1)CN1CCOCC1)N1CCC(CC1)O[*:1]
Cc1cccc(OC2CCN(C(=O)c3coc(CN4CCOCC4)c3)CC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)OC1CCN(CC1)C(=O)c1coc(c1)C[*:1]
Cc1cccc(OC2CCN(C(=O)c3coc(CN4CCOCC4)c3)CC2)c1 Cc1cccc(c1)O[*:1] O=C(c1coc(c1)CN1CCOCC1)N1CCC(CC1)[*:1]
Cc1sc(C(=O)NCc2csc(=O)[nH]2)cc1-c1ccc(F)cc1 O=c1[nH]c(cs1)C[*:1] Cc1sc(cc1-c1ccc(F)cc1)C(=O)N[*:1]
Cc1sc(C(=O)NCc2csc(=O)[nH]2)cc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(cc1[*:1])C(=O)NCc1csc(=O)[nH]1
Cc1sc(C(=O)NCc2csc(=O)[nH]2)cc1-c1ccc(F)cc1 O=c1[nH]c(cs1)[*:1] Cc1sc(cc1-c1ccc(F)cc1)C(=O)NC[*:1]
CC(C)[C@H]([NH3+])CCC[C@H]1COc2ccccc21 CC(C)[*:1] [NH3+][C@H](CCC[C@H]1COc2ccccc21)[*:1]
COc1cc(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])cc(Cl)c1OC O=C([O-])[*:1] COc1cc(cc(Cl)c1OC)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)Nc1cccnc1 Clc1ccc(cc1)[*:1] O=C(CS[C@H](c1ccccc1)[*:1])Nc1cccnc1
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)Nc1cccnc1 c1ccc(cc1)[*:1] O=C(CS[C@H](c1ccc(Cl)cc1)[*:1])Nc1cccnc1
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[*:1]
COc1ccc([C@H](NC(=O)CSC2=NCCS2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NC(=O)CSC1=NCCS1)[*:1]
CC(C)SCC(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 c1ccc(cc1)[*:1] CC(C)SCC(=O)N1CCCn2nc(cc2C1)C(=O)N[*:1]
CC(C)SCC(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 CC(C)[*:1] O=C(Nc1ccccc1)c1cc2CN(CCCn2n1)C(=O)CS[*:1]
CC(C)SCC(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 CC(C)S[*:1] O=C(Nc1ccccc1)c1cc2CN(CCCn2n1)C(=O)C[*:1]
CC(C)SCC(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 CC(C)SC[*:1] O=C(Nc1ccccc1)c1cc2CN(CCCn2n1)C(=O)[*:1]
CSC[C@@H](C)NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C CSC[*:1] C[C@@H](NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C)[*:1]
CSC[C@@H](C)NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C CC(C)(C)[*:1] CSC[C@@H](C)NC(=O)C(=O)Nc1cc(C[*:1])nn1C
CSC[C@@H](C)NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C CC(C)(C)C[*:1] CSC[C@@H](C)NC(=O)C(=O)Nc1cc(nn1C)[*:1]
O=C([O-])[C@H]1O[C@@H](OC(=O)[C@H](c2ccccc2Cl)N2CCc3sccc3C2)[C@H](O)[C@@H](O)[C@@H]1O Clc1ccccc1[*:1] O=C([O-])[C@H]1O[C@@H](OC(=O)[C@H](N2CCc3sccc3C2)[*:1])[C@H](O)[C@@H](O)[C@@H]1O
O=C([O-])[C@H]1O[C@@H](OC(=O)[C@H](c2ccccc2Cl)N2CCc3sccc3C2)[C@H](O)[C@@H](O)[C@@H]1O c1cc2CN(CCc2s1)[*:1] O=C([O-])[C@H]1O[C@@H](OC(=O)[C@H](c2ccccc2Cl)[*:1])[C@H](O)[C@@H](O)[C@@H]1O
O=C([O-])[C@H]1O[C@@H](OC(=O)[C@H](c2ccccc2Cl)N2CCc3sccc3C2)[C@H](O)[C@@H](O)[C@@H]1O O=C([O-])[*:1] O=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)[*:1])[C@H](c1ccccc1Cl)N1CCc2sccc2C1
CC(C)c1cc(C(=O)Nc2ncccc2OCc2ccncc2)on1 c1cc(ccn1)CO[*:1] CC(C)c1cc(on1)C(=O)Nc1ncccc1[*:1]
CC(C)c1cc(C(=O)Nc2ncccc2OCc2ccncc2)on1 c1cc(ccn1)[*:1] CC(C)c1cc(on1)C(=O)Nc1ncccc1OC[*:1]
CC(C)c1cc(C(=O)Nc2ncccc2OCc2ccncc2)on1 CC(C)[*:1] O=C(Nc1ncccc1OCc1ccncc1)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)Nc2ncccc2OCc2ccncc2)on1 c1cc(ccn1)C[*:1] CC(C)c1cc(on1)C(=O)Nc1ncccc1O[*:1]
CC(C)c1cc(C(=O)Nc2ncccc2OCc2ccncc2)on1 CC(C)c1cc(on1)[*:1] O=C(Nc1ncccc1OCc1ccncc1)[*:1]
CCCCCn1c(N)c(C(=O)N[C@@H](C)CC)c2nc3ccccc3nc21 CCC[*:1] CC[C@H](C)NC(=O)c1c(N)n(CC[*:1])c2nc3ccccc3nc12
CCCCCn1c(N)c(C(=O)N[C@@H](C)CC)c2nc3ccccc3nc21 CCCC[*:1] CC[C@H](C)NC(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
CCCCCn1c(N)c(C(=O)N[C@@H](C)CC)c2nc3ccccc3nc21 CC[C@H](C)[*:1] CCCCCn1c(N)c(C(=O)N[*:1])c2nc3ccccc3nc21
CCCCCn1c(N)c(C(=O)N[C@@H](C)CC)c2nc3ccccc3nc21 CC[C@H](C)NC(=O)[*:1] CCCCCn1c(N)c(c2nc3ccccc3nc21)[*:1]
CCCCCn1c(N)c(C(=O)N[C@@H](C)CC)c2nc3ccccc3nc21 CCCCC[*:1] CC[C@H](C)NC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
CCOc1ccc2c(c1)CN(C(=O)Nc1ccccc1F)CC2 Fc1ccccc1[*:1] CCOc1ccc2CCN(Cc2c1)C(=O)N[*:1]
CCOc1ccc2c(c1)CN(C(=O)Nc1ccccc1F)CC2 CCO[*:1] O=C(Nc1ccccc1F)N1CCc2ccc(cc2C1)[*:1]
COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccccc2)cc1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1Cc1ccccc1)S(=O)(=O)[*:1]
COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1C[*:1])S(=O)(=O)c1ccc(C)cc1
COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1[*:1])S(=O)(=O)c1ccc(C)cc1
COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccccc2)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1[*:1]
COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccccc2)cc1 COC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1ccc(cc1)[*:1]
COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccccc2)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] COC(=O)c1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1Cc1ccccc1)[*:1]
C=CCOCC1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 C=CC[*:1] O=C(/C=C/c1ccccc1Cl)N1CCC(CC1)CO[*:1]
C=CCOCC1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 C=CCO[*:1] O=C(/C=C/c1ccccc1Cl)N1CCC(CC1)C[*:1]
C=CCOCC1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 C=CCOC[*:1] O=C(/C=C/c1ccccc1Cl)N1CCC(CC1)[*:1]
C=CCOCC1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 Clc1ccccc1[*:1] C=CCOCC1CCN(CC1)C(=O)C=C[*:1]
COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 Fc1ccccc1O[*:1] COc1ccc(cc1)NC(=O)/C(C#N)=C/c1c(nc2ccccn2c1=O)[*:1]
COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 COc1ccc(cc1)[*:1] N#C/C(=C\c1c(nc2ccccn2c1=O)Oc1ccccc1F)C(=O)N[*:1]
COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)NC(=O)/C(C#N)=C/c1c(nc2ccccn2c1=O)O[*:1]
COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)cc1 COc1ccc(cc1)NC(=O)[*:1] N#CC(=Cc1c(nc2ccccn2c1=O)Oc1ccccc1F)[*:1]
Cc1c(Cl)c(CS[C@@H](C)[C@H](C)O)nc2ccccc12 C[C@H](O)[*:1] Cc1c(Cl)c(CS[C@@H](C)[*:1])nc2ccccc12
O=C1/C(=C/NCc2ccccn2)c2ccccc2C(=O)N1c1ccccc1Cl c1ccc(C[*:1])nc1 O=C1/C(=C/N[*:1])c2ccccc2C(=O)N1c1ccccc1Cl
O=C1/C(=C/NCc2ccccn2)c2ccccc2C(=O)N1c1ccccc1Cl c1ccc(CN[*:1])nc1 O=C1C(=C[*:1])c2ccccc2C(=O)N1c1ccccc1Cl
O=C1/C(=C/NCc2ccccn2)c2ccccc2C(=O)N1c1ccccc1Cl c1ccc(nc1)[*:1] O=C1/C(=C/NC[*:1])c2ccccc2C(=O)N1c1ccccc1Cl
O=C1/C(=C/NCc2ccccn2)c2ccccc2C(=O)N1c1ccccc1Cl Clc1ccccc1[*:1] O=C1/C(=C/NCc2ccccn2)c2ccccc2C(=O)N1[*:1]
O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1nccs1 c1csc(n1)[*:1] O=C(Nc1ccc2OCCOc2c1)N1CCC[C@@H]1[*:1]
Cc1[nH+]ccn1CCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C CC(C)(C)[*:1] Cc1[nH+]ccn1CCN1C[C@@H](C)N(C[C@@H]1C)C(=O)O[*:1]
CC(C)(C)C(=O)N1CCC[NH+](CC(=O)NCC2(c3ccccc3)CCC2)CC1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCC[NH+](CC1)CC(=O)NCC1(CCC1)[*:1]
CC(C)(C)C(=O)N1CCC[NH+](CC(=O)NCC2(c3ccccc3)CCC2)CC1 CC(C)(C)[*:1] O=C(C[NH+]1CCCN(CC1)C(=O)[*:1])NCC1(CCC1)c1ccccc1
Cc1nccn1Cc1cccc(CNC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)c1 Cc1nccn1C[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1C[C@@H]2C=C[C@H]1C2
Cc1nccn1Cc1cccc(CNC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)c1 Cc1nccn1[*:1] O=C(NCc1cccc(c1)C[*:1])[C@H]1C[C@@H]2C=C[C@H]1C2
C#CCNCC(=O)NCC[NH+]1CCCC1 C#CCN[*:1] O=C(C[*:1])NCC[NH+]1CCCC1
C#CCNCC(=O)NCC[NH+]1CCCC1 C#CC[*:1] O=C(CN[*:1])NCC[NH+]1CCCC1
C#CCNCC(=O)NCC[NH+]1CCCC1 C#CCNC[*:1] O=C(NCC[NH+]1CCCC1)[*:1]
C=C(C)COc1ccccc1NC(=O)CNc1ccc(C)c(C)c1 C=C(C)C[*:1] Cc1ccc(cc1C)NCC(=O)Nc1ccccc1O[*:1]
C=C(C)COc1ccccc1NC(=O)CNc1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] C=C(C)COc1ccccc1NC(=O)CN[*:1]
C=C(C)COc1ccccc1NC(=O)CNc1ccc(C)c(C)c1 C=C(C)[*:1] Cc1ccc(cc1C)NCC(=O)Nc1ccccc1OC[*:1]
C=C(C)COc1ccccc1NC(=O)CNc1ccc(C)c(C)c1 C=C(C)CO[*:1] Cc1ccc(cc1C)NCC(=O)Nc1ccccc1[*:1]
CC(C)c1ccc(Cn2nccc2NC(=O)C(=O)N[C@@H]2C=CCCC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(Nc1ccnn1C[*:1])C(=O)N[C@@H]1C=CCCC1
CC(C)c1ccc(Cn2nccc2NC(=O)C(=O)N[C@@H]2C=CCCC2)cc1 CC(C)[*:1] O=C(Nc1ccnn1Cc1ccc(cc1)[*:1])C(=O)N[C@@H]1C=CCCC1
CN(C)S(=O)(=O)CCCOc1ccc(F)cc1Br CN(C)S(=O)(=O)[*:1] Fc1ccc(OCCC[*:1])c(Br)c1
C[C@]1(c2ccsc2)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O c1cc(cs1)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O)[*:1]
C[C@]1(c2ccsc2)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O Fc1ccc(F)c(c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccsc1
CCn1cc(S(=O)(=O)Oc2ccc(OCC3CC3)cc2)cn1 C1CC1C[*:1] CCn1cc(cn1)S(=O)(=O)Oc1ccc(cc1)O[*:1]
CCn1cc(S(=O)(=O)Oc2ccc(OCC3CC3)cc2)cn1 C1CC1CO[*:1] CCn1cc(cn1)S(=O)(=O)Oc1ccc(cc1)[*:1]
CCn1cc(S(=O)(=O)Oc2ccc(OCC3CC3)cc2)cn1 C1CC1[*:1] CCn1cc(cn1)S(=O)(=O)Oc1ccc(cc1)OC[*:1]
CCn1cc(S(=O)(=O)Oc2ccc(OCC3CC3)cc2)cn1 CCn1cc(cn1)[*:1] O=S(=O)(Oc1ccc(cc1)OCC1CC1)[*:1]
CNC(=O)CC1CCN(c2ccc(S(=O)(=O)NC)cn2)CC1 CNS(=O)(=O)[*:1] CNC(=O)CC1CCN(CC1)c1ccc(cn1)[*:1]
CNC(=O)CC1CCN(c2ccc(S(=O)(=O)NC)cn2)CC1 CNC(=O)[*:1] CNS(=O)(=O)c1ccc(nc1)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(c2ccc(S(=O)(=O)NC)cn2)CC1 CNC(=O)C[*:1] CNS(=O)(=O)c1ccc(nc1)N1CCC(CC1)[*:1]
C[C@@H](CNC(=O)Cn1ccc(=O)c2ccccc21)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)Cn1ccc(=O)c2ccccc21)O[*:1]
C[C@@H](CNC(=O)Cn1ccc(=O)c2ccccc21)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)Cn1ccc(=O)c2ccccc21)[*:1]
CN(C)[C@H](NC(=O)N[C@@H](N(C)C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl CN(C)[*:1] CN(C)[C@H](NC(=O)N[C@H](C(Cl)(Cl)Cl)[*:1])C(Cl)(Cl)Cl
CN(C)[C@H](NC(=O)N[C@@H](N(C)C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CN(C)[C@H](NC(=O)N[C@@H](N(C)C)[*:1])C(Cl)(Cl)Cl
CC(C)c1noc(-c2ccccc2C(=O)/N=c2\[nH]nc3ccccn23)n1 CC(C)c1noc(n1)[*:1] O=C(/N=c1\[nH]nc2ccccn12)c1ccccc1[*:1]
CC(C)c1noc(-c2ccccc2C(=O)/N=c2\[nH]nc3ccccn23)n1 CC(C)[*:1] O=C(/N=c1\[nH]nc2ccccn12)c1ccccc1-c1nc(no1)[*:1]
Cc1cc(CNc2cc(C(N)=S)ccn2)cc(C)c1F NC(=S)[*:1] Cc1cc(cc(C)c1F)CNc1cc(ccn1)[*:1]
C=C(C)CN/C(N)=[NH+]/CCc1cccs1 c1csc(c1)[*:1] C=C(C)CN/C(N)=[NH+]/CC[*:1]
C=C(C)CN/C(N)=[NH+]/CCc1cccs1 C=C(C)[*:1] N/C(NC[*:1])=[NH+]\CCc1cccs1
C=C(C)CN/C(N)=[NH+]/CCc1cccs1 C=C(C)C[*:1] N/C(N[*:1])=[NH+]\CCc1cccs1
O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 Clc1ccc(Cl)c(c1)[*:1] O=C(NCCC1=CCCCC1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccc(CSc2nnc(C3CCCCC3)n2N)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1C1CCCCC1)SC[*:1]
Cc1ccc(CSc2nnc(C3CCCCC3)n2N)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)CSc1nnc(n1N)[*:1]
Cc1cc(C)nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)n1 O=S(=O)(N1CCCCCC1)[*:1] Cc1cc(C)nc(n1)SCC(=O)Nc1cc(ccc1Cl)[*:1]
Cc1cc(C)nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)n1 Cc1cc(C)nc(n1)[*:1] O=C(CS[*:1])Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1
Cc1cc(C)nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)n1 Cc1cc(C)nc(n1)SC[*:1] O=C(Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1)[*:1]
Cc1cc(C)nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)n1 Cc1cc(C)nc(n1)S[*:1] O=C(C[*:1])Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1
Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@H]3c2cccc(F)c2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)-n1nc(c2c1NC(=O)CS[C@H]2c1cccc(F)c1)[*:1]
Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@H]3c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] Cc1cc(C)nc(n1)-n1nc(-c2ccccc2)c2c1NC(=O)CS[C@@H]2[*:1]
Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@H]3c2cccc(F)c2)n1 Cc1cc(C)nc(n1)[*:1] O=C1CS[C@@H](c2cccc(F)c2)c2c(nn(c2N1)[*:1])-c1ccccc1
CCc1nc(N2CCCCCC2)c2oc3ccccc3c2n1 C1CCCN(CC1)[*:1] CCc1nc(c2oc3ccccc3c2n1)[*:1]
CCCCO[C@@H](C)C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1 CCCCO[C@@H](C)[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)[*:1]
CCCCO[C@@H](C)C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1 CCC[*:1] C[C@H](OC[*:1])C(=O)N[C@H]1C[C@H](C)N(C1)c1ccccc1
CCCCO[C@@H](C)C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1 CCCCO[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)[C@H](C)[*:1]
CCCCO[C@@H](C)C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1 CCCC[*:1] C[C@H](O[*:1])C(=O)N[C@H]1C[C@H](C)N(C1)c1ccccc1
CCCCO[C@@H](C)C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CCCCO[C@@H](C)C(=O)N[C@H]1C[C@H](C)N(C1)[*:1]
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(C)cc1 Clc1ccccc1C[*:1] C/C(=N\NC(=O)c1ccc(cc1)N(S(C)(=O)=O)[*:1])c1ccc(C)cc1
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=NNC(=O)c1ccc(cc1)N(Cc1ccccc1Cl)S(C)(=O)=O)[*:1]
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(C)cc1 Clc1ccccc1[*:1] C/C(=N\NC(=O)c1ccc(cc1)N(C[*:1])S(C)(=O)=O)c1ccc(C)cc1
CCS[C@H](C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)C(C)C Fc1ccc(cc1)[*:1] CCS[C@H](C(=O)Nc1cccn(C[*:1])c1=O)C(C)C
CCS[C@H](C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)C(C)C CCS[*:1] CC(C)[C@@H](C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)[*:1]
CCS[C@H](C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)C(C)C CC(C)[*:1] CCS[C@H](C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)[*:1]
CCS[C@H](C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)C(C)C Fc1ccc(cc1)C[*:1] CCS[C@H](C(=O)Nc1cccn(c1=O)[*:1])C(C)C
Cc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C(CCNC1=NS(=O)(=O)c2ccccc21)N[*:1]
Cc1ccc(Nc2nc3nccc(-c4cccnc4)c3c(=O)[nH]2)c(C)c1 c1cncc(c1)[*:1] Cc1ccc(Nc2nc3nccc(c3c(=O)[nH]2)[*:1])c(C)c1
Cc1ccc(Nc2nc3nccc(-c4cccnc4)c3c(=O)[nH]2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=c1[nH]c(nc2nccc(-c3cccnc3)c12)N[*:1]
CC1(C)CCC[C@H](CC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)C1 c1ccc(cc1)[*:1] CC1(C)CCC[C@H](CC(=O)NC[C@H]2CC(=O)N(C2)C[*:1])C1
CC1(C)CCC[C@H](CC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)C1 c1ccc(cc1)C[*:1] CC1(C)CCC[C@H](CC(=O)NC[C@H]2CC(=O)N(C2)[*:1])C1
CCOC(=O)c1cc(C#N)c([O-])nc1C(F)(F)F CCOC(=O)[*:1] N#Cc1cc(c(nc1[O-])C(F)(F)F)[*:1]
CCOC(=O)c1cc(C#N)c([O-])nc1C(F)(F)F FC(F)(F)[*:1] CCOC(=O)c1cc(C#N)c([O-])nc1[*:1]
CCCOc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)c(C)c1 CCCO[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)Sc1ccccn1)[*:1]
CCCOc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)c(C)c1 CCC[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)Sc1ccccn1)O[*:1]
CCCOc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)c(C)c1 c1ccc(nc1)[*:1] CCCOc1ccc(NC(=O)[C@@H](C)S[*:1])c(C)c1
CCCOc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)c(C)c1 c1ccc(nc1)S[*:1] CCCOc1ccc(NC(=O)[C@@H](C)[*:1])c(C)c1
COC(=O)c1nc(C)cc(N[C@@H]2C=C[C@H](C(=O)[O-])C2)n1 O=C([O-])[*:1] COC(=O)c1nc(C)cc(n1)N[C@@H]1C=C[C@H](C1)[*:1]
COC(=O)c1nc(C)cc(N[C@@H]2C=C[C@H](C(=O)[O-])C2)n1 COC(=O)[*:1] Cc1cc(nc(n1)[*:1])N[C@@H]1C=C[C@@H](C1)C(=O)[O-]
CCN(CC1CC[NH2+]CC1)c1cc(Br)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(CC1CC[NH2+]CC1)c1cc(Br)ccc1[*:1]
O=C(CNC(=O)c1ccc2c(c1)OCO2)NCC1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc2OCOc2c1)NCC1(CCCC1)[*:1]
O=C(CNC(=O)c1ccc2c(c1)OCO2)NCC1(c2ccccc2)CCCC1 c1cc2OCOc2cc1[*:1] O=C(CNC(=O)[*:1])NCC1(CCCC1)c1ccccc1
NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1O NC(=O)N[*:1] O=S1(=O)C[C@H]([C@@H](O)C1)[*:1]
Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(-n4cncn4)c(C)c3)CC2)cc1 c1ncn(n1)[*:1] Cc1ccc(cc1)C(=O)C1CC[NH+](CC1)Cc1ccc(c(C)c1)[*:1]
Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(-n4cncn4)c(C)c3)CC2)cc1 Cc1ccc(cc1)C(=O)[*:1] Cc1cc(ccc1-n1cncn1)C[NH+]1CCC(CC1)[*:1]
Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(-n4cncn4)c(C)c3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ccc1-n1cncn1)C[NH+]1CCC(CC1)C(=O)[*:1]
FC(F)(F)c1cccc(-c2cc(NCc3ccco3)nc(-c3ccncc3)n2)c1 c1coc(c1)C[*:1] FC(F)(F)c1cccc(c1)-c1cc(nc(n1)-c1ccncc1)N[*:1]
FC(F)(F)c1cccc(-c2cc(NCc3ccco3)nc(-c3ccncc3)n2)c1 c1coc(c1)[*:1] FC(F)(F)c1cccc(c1)-c1cc(nc(n1)-c1ccncc1)NC[*:1]
FC(F)(F)c1cccc(-c2cc(NCc3ccco3)nc(-c3ccncc3)n2)c1 c1cc(ccn1)[*:1] FC(F)(F)c1cccc(c1)-c1cc(nc(n1)[*:1])NCc1ccco1
FC(F)(F)c1cccc(-c2cc(NCc3ccco3)nc(-c3ccncc3)n2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])-c1cc(nc(n1)-c1ccncc1)NCc1ccco1
FC(F)(F)c1cccc(-c2cc(NCc3ccco3)nc(-c3ccncc3)n2)c1 c1coc(c1)CN[*:1] FC(F)(F)c1cccc(c1)-c1cc(nc(n1)-c1ccncc1)[*:1]
CC(=O)NCc1ccc(C(=O)N(C)Cc2ccc(Br)s2)cc1 CC(=O)NC[*:1] CN(Cc1ccc(Br)s1)C(=O)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)N(C)Cc2ccc(Br)s2)cc1 Brc1ccc(C[*:1])s1 CC(=O)NCc1ccc(cc1)C(=O)N(C)[*:1]
CC(=O)NCc1ccc(C(=O)N(C)Cc2ccc(Br)s2)cc1 CC(=O)N[*:1] CN(Cc1ccc(Br)s1)C(=O)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(C(=O)N(C)Cc2ccc(Br)s2)cc1 Brc1ccc(s1)[*:1] CC(=O)NCc1ccc(cc1)C(=O)N(C)C[*:1]
CCc1ccc(C(=O)NCC(=O)Nc2cccnc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])C(=O)NCC(=O)Nc1cccnc1
CCc1ccc(C(=O)NCC(=O)Nc2cccnc2)cc1[N+](=O)[O-] c1cncc(c1)[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)NCC(=O)N[*:1]
CSc1ccc(C[NH+](C)Cn2nnc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)C[NH+](C)Cn1nnc(n1)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H](SC(C)C)C1 O=C([O-])[*:1] CC[NH2+][C@]1(CCC[C@@H](C1)SC(C)C)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H](SC(C)C)C1 CC(C)[*:1] CC[NH2+][C@]1(CCC[C@@H](C1)S[*:1])C(=O)[O-]
CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H](SC(C)C)C1 CC(C)S[*:1] CC[NH2+][C@]1(CCC[C@H](C1)[*:1])C(=O)[O-]
CCc1nc(-c2ccc(C(=O)N(C)[C@H](CC)CSC)cc2)n[nH]1 CSC[*:1] CCc1nc(n[nH]1)-c1ccc(cc1)C(=O)N(C)[C@H](CC)[*:1]
CCc1nc(-c2ccc(C(=O)N(C)[C@H](CC)CSC)cc2)n[nH]1 CCc1nc(n[nH]1)[*:1] CC[C@H](CSC)N(C)C(=O)c1ccc(cc1)[*:1]
COCC[NH2+]CCC(C)(C)c1cc(C)c(Br)cc1C COCC[*:1] Cc1cc(c(C)cc1Br)C(C)(C)CC[NH2+][*:1]
COCC[NH2+]CCC(C)(C)c1cc(C)c(Br)cc1C COC[*:1] Cc1cc(c(C)cc1Br)C(C)(C)CC[NH2+]C[*:1]
COc1ccc(F)c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 C1CC1[*:1] COc1ccc(F)c(c1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(F)c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 O=C(N[*:1])C1CC1 COc1ccc(F)c(c1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)NNc2cccc(F)c2F)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])NNc1cccc(F)c1F
CCN(CC(=O)NC)C(=O)[C@H]1CC[C@H](C[NH3+])O1 CNC(=O)C[*:1] CCN(C(=O)[C@H]1CC[C@H](C[NH3+])O1)[*:1]
CCN(CC(=O)NC)C(=O)[C@H]1CC[C@H](C[NH3+])O1 CNC(=O)[*:1] CCN(C[*:1])C(=O)[C@H]1CC[C@H](C[NH3+])O1
CC(C)OCCC(=O)N(C[C@H]1CCCCO1)C(C)C CC(C)OC[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)C[*:1]
CC(C)OCCC(=O)N(C[C@H]1CCCCO1)C(C)C CC(C)[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)CCO[*:1]
CC(C)OCCC(=O)N(C[C@H]1CCCCO1)C(C)C CC(C)[*:1] CC(C)OCCC(=O)N(C[C@H]1CCCCO1)[*:1]
CC(C)OCCC(=O)N(C[C@H]1CCCCO1)C(C)C CC(C)OCC[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)[*:1]
CC(C)OCCC(=O)N(C[C@H]1CCCCO1)C(C)C CC(C)O[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)CC[*:1]
CC(C)OCCC(=O)N(C[C@H]1CCCCO1)C(C)C C1CC[C@@H](OC1)[*:1] CC(C)OCCC(=O)N(C[*:1])C(C)C
C[C@H]1CN(c2ccccc2NC(=O)CC2CCC2)C[C@H](C)O1 C1CC(C1)C[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1NC(=O)[*:1]
C[C@H]1CN(c2ccccc2NC(=O)CC2CCC2)C[C@H](C)O1 C1CC(C1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1NC(=O)C[*:1]
CN1C[C@H](C(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)CC1=O CN1C[C@H](CC1=O)[*:1] C[NH+](C)CCn1nc(c2cccnc21)[C@H]1CCN(C1)C(=O)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)COc1ccc(C#N)cc1Cl CC(C)[*:1] C[C@@](C#N)(NC(=O)COc1ccc(C#N)cc1Cl)[*:1]
CNS(=O)(=O)c1cc(C(=O)Nc2cccc(SC)c2)ccc1OC CSc1cccc(c1)[*:1] CNS(=O)(=O)c1cc(ccc1OC)C(=O)N[*:1]
CNS(=O)(=O)c1cc(C(=O)Nc2cccc(SC)c2)ccc1OC CNS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cccc(c1)SC
c1cc(OC[C@@H]2CCCO2)ccc1CN1CC[C@@H](CN2CCOCC2)C1 C1CO[C@@H](C1)C[*:1] c1cc(ccc1CN1CC[C@@H](CN2CCOCC2)C1)O[*:1]
c1cc(OC[C@@H]2CCCO2)ccc1CN1CC[C@@H](CN2CCOCC2)C1 C1CO[C@@H](C1)[*:1] c1cc(ccc1CN1CC[C@@H](CN2CCOCC2)C1)OC[*:1]
c1cc(OC[C@@H]2CCCO2)ccc1CN1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] c1cc(ccc1CN1CC[C@H](C1)C[*:1])OC[C@@H]1CCCO1
c1cc(OC[C@@H]2CCCO2)ccc1CN1CC[C@@H](CN2CCOCC2)C1 C1CO[C@@H](C1)CO[*:1] c1cc(ccc1CN1CC[C@@H](CN2CCOCC2)C1)[*:1]
c1cc(OC[C@@H]2CCCO2)ccc1CN1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] c1cc(ccc1CN1CC[C@@H](C1)[*:1])OC[C@@H]1CCCO1
CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2ncnc3sccc23)s1 CC(C)(C)C(=O)N[*:1] O=C(CSc1ncnc2sccc12)c1ccc(C[*:1])s1
CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2ncnc3sccc23)s1 CC(C)(C)[*:1] O=C(CSc1ncnc2sccc12)c1ccc(CNC(=O)[*:1])s1
CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2ncnc3sccc23)s1 CC(C)(C)C(=O)NC[*:1] O=C(CSc1ncnc2sccc12)c1ccc(s1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1ccoc1C Cc1occc1[*:1] Cc1noc(C)c1[C@H](C)NC(=O)[*:1]
COC(=O)C[C@H](NC(=O)[C@H](C)n1c(=O)oc2ccccc21)C1CC1 COC(=O)[*:1] C[C@@H](C(=O)N[C@@H](C[*:1])C1CC1)n1c(=O)oc2ccccc21
COC(=O)C[C@H](NC(=O)[C@H](C)n1c(=O)oc2ccccc21)C1CC1 COC(=O)C[*:1] C[C@@H](C(=O)N[C@H](C1CC1)[*:1])n1c(=O)oc2ccccc21
COC(=O)C[C@H](NC(=O)[C@H](C)n1c(=O)oc2ccccc21)C1CC1 C1CC1[*:1] COC(=O)C[C@H](NC(=O)[C@H](C)n1c(=O)oc2ccccc21)[*:1]
O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)C1CC1 c1cnn(c1)[*:1] O=C(NC[C@@H](c1ccc(Cl)cc1)[*:1])C1CC1
O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)C1CC1 C1CC1[*:1] O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)[*:1]
O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)C1CC1 O=C(N[*:1])C1CC1 Clc1ccc(cc1)[C@H](C[*:1])n1cccn1
Cc1cc(NC(=O)CSc2nnc(Cc3cccs3)o2)n(C)n1 c1csc(c1)C[*:1] Cc1cc(NC(=O)CSc2nnc(o2)[*:1])n(C)n1
Cc1cc(NC(=O)CSc2nnc(Cc3cccs3)o2)n(C)n1 c1csc(c1)[*:1] Cc1cc(NC(=O)CSc2nnc(C[*:1])o2)n(C)n1
Cc1cc(NC(=O)CSc2nnc(Cc3cccs3)o2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(CSc1nnc(Cc2cccs2)o1)N[*:1]
C/C(=C/C(=O)N1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)cc1F CN(C)C(=O)[*:1] C/C(=C/C(=O)N1CCC[C@H]1[*:1])c1ccc(F)cc1F
C[C@@H](Nc1ncc(Cl)cn1)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H](Nc1ncc(Cl)cn1)C(=O)O[*:1]
O=C(NNc1cccc(Cl)c1)c1cc2ccccc2oc1=O Clc1cccc(c1)[*:1] O=C(NN[*:1])c1cc2ccccc2oc1=O
CC1=C2[C@@H](NC(=O)C[C@H]2c2ccc([C@@H]3C=CN=N3)o2)N(C2CCCC2)N1 C1CCC(C1)[*:1] CC1NN([C@@H]2NC(=O)C[C@H](C=12)c1ccc(o1)[C@@H]1C=CN=N1)[*:1]
CNC(=O)NCC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 CNC(=O)N[*:1] CC1CCC(CC1)[NH+]1CCN(CC1)C(=O)C[*:1]
CNC(=O)NCC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 CC1CCC(CC1)[*:1] CNC(=O)NCC(=O)N1CC[NH+](CC1)[*:1]
CNC(=O)NCC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 CNC(=O)NC[*:1] CC1CCC(CC1)[NH+]1CCN(CC1)C(=O)[*:1]
CCOc1ccc(F)c(C(=O)NCc2ccc(OC)c(OC)c2)c1F CCO[*:1] COc1ccc(cc1OC)CNC(=O)c1c(F)ccc(c1F)[*:1]
Cc1cc(C)nc(SCc2c(C(=O)N3CCC[C@@H](C)C3)nnn2-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)SCc1c(nnn1[*:1])C(=O)N1CCC[C@@H](C)C1
Cc1cc(C)nc(SCc2c(C(=O)N3CCC[C@@H](C)C3)nnn2-c2ccccc2)n1 Cc1cc(C)nc(n1)SC[*:1] C[C@@H]1CCCN(C1)C(=O)c1nnn(-c2ccccc2)c1[*:1]
Cc1cc(C)nc(SCc2c(C(=O)N3CCC[C@@H](C)C3)nnn2-c2ccccc2)n1 Cc1cc(C)nc(n1)S[*:1] C[C@@H]1CCCN(C1)C(=O)c1nnn(-c2ccccc2)c1C[*:1]
Cc1cc(C)nc(SCc2c(C(=O)N3CCC[C@@H](C)C3)nnn2-c2ccccc2)n1 Cc1cc(C)nc(n1)[*:1] C[C@@H]1CCCN(C1)C(=O)c1nnn(-c2ccccc2)c1CS[*:1]
CC[NH2+][C@H](Cc1ccc(Br)s1)[C@H]1CN(C(C)C)CCO1 Brc1ccc(s1)[*:1] CC[NH2+][C@H](C[*:1])[C@H]1CN(CCO1)C(C)C
CC[NH2+][C@H](Cc1ccc(Br)s1)[C@H]1CN(C(C)C)CCO1 CC(C)[*:1] CC[NH2+][C@H](Cc1ccc(Br)s1)[C@H]1CN(CCO1)[*:1]
CC(C)NC(=O)CCCNC(=O)c1cnc2cccnn2c1=O CC(C)NC(=O)[*:1] O=C(NCCC[*:1])c1cnc2cccnn2c1=O
CC(C)NC(=O)CCCNC(=O)c1cnc2cccnn2c1=O CC(C)[*:1] O=C(CCCNC(=O)c1cnc2cccnn2c1=O)N[*:1]
CC(C)NC(=O)CCCNC(=O)c1cnc2cccnn2c1=O CC(C)NC(=O)C[*:1] O=C(NCC[*:1])c1cnc2cccnn2c1=O
CCOc1ccc(-c2nonc2NC(=O)COc2ccc(Br)cc2)cc1C Brc1ccc(cc1)OC[*:1] CCOc1ccc(cc1C)-c1nonc1NC(=O)[*:1]
CCOc1ccc(-c2nonc2NC(=O)COc2ccc(Br)cc2)cc1C Brc1ccc(cc1)[*:1] CCOc1ccc(cc1C)-c1nonc1NC(=O)CO[*:1]
CCOc1ccc(-c2nonc2NC(=O)COc2ccc(Br)cc2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])-c1nonc1NC(=O)COc1ccc(Br)cc1
CCOc1ccc(-c2nonc2NC(=O)COc2ccc(Br)cc2)cc1C Brc1ccc(cc1)O[*:1] CCOc1ccc(cc1C)-c1nonc1NC(=O)C[*:1]
Cc1cc2ncc([C@H](C)NC[C@H](C)c3ccc(F)c(F)c3)c(C)n2n1 Fc1ccc(cc1F)[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)NC[C@H](C)[*:1]
Cc1ccc(N2C(=O)N(Cc3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl Clc1ccccc1[*:1] Cc1ccc(cc1Cl)N1C(=O)N(C[*:1])[C@H]2CS(=O)(=O)C[C@@H]21
Cc1ccc(N2C(=O)N(Cc3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C1N(Cc2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1ccc(N2C(=O)N(Cc3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl Clc1ccccc1C[*:1] Cc1ccc(cc1Cl)N1C(=O)N([C@H]2CS(=O)(=O)C[C@@H]21)[*:1]
N#Cc1ccc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)c(F)c1 Fc1ccc(cc1)[*:1] N#Cc1ccc(CSc2ncnc3c2cnn3[*:1])c(F)c1
N#Cc1ccc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)c(F)c1 N#Cc1ccc(c(F)c1)[*:1] Fc1ccc(cc1)-n1ncc2c(ncnc21)SC[*:1]
CCOc1ccccc1N[C@@H](C)[C@H](C)C(=O)OC CCO[*:1] COC(=O)[C@@H](C)[C@H](C)Nc1ccccc1[*:1]
CCOc1ccccc1N[C@@H](C)[C@H](C)C(=O)OC COC(=O)[C@@H](C)[*:1] CCOc1ccccc1N[C@@H](C)[*:1]
CCOc1ccccc1N[C@@H](C)[C@H](C)C(=O)OC COC(=O)[*:1] CCOc1ccccc1N[C@@H](C)[C@H](C)[*:1]
O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C2CCN(c3cnccn3)CC2)c1 c1cnc(cn1)[*:1] O=C(C[NH+]1CCCCCC1)Nc1cccc(c1)NC(=O)C1CCN(CC1)[*:1]
C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(F)cc1F c1ccc(cc1)C[*:1] C[C@H]([NH2+][C@@H](C)[C@H](O)[*:1])c1ccc(F)cc1F
C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(F)cc1F c1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H](C)[C@H](O)C[*:1])c1ccc(F)cc1F
COc1ccccc1CNC(=O)COc1c(Cl)cc(C#N)cc1OC COc1ccccc1[*:1] COc1cc(C#N)cc(Cl)c1OCC(=O)NC[*:1]
COc1cccc(/C=N/NC(=O)CC#N)c1 N#CC[*:1] COc1cccc(/C=N/NC(=O)[*:1])c1
COc1ccc(C(=O)NNC(=O)CCC(=O)[O-])cc1Br O=C([O-])[*:1] COc1ccc(cc1Br)C(=O)NNC(=O)CC[*:1]
COc1ccc(C(=O)NNC(=O)CCC(=O)[O-])cc1Br O=C([O-])C[*:1] COc1ccc(cc1Br)C(=O)NNC(=O)C[*:1]
COc1ccc(C(=O)NNC(=O)CCC(=O)[O-])cc1Br O=C([O-])CC[*:1] COc1ccc(cc1Br)C(=O)NNC(=O)[*:1]
C[C@@H]([C@@H](O)c1ccccc1)[N+](C)(C)C C[N+](C)(C)[*:1] C[C@@H]([C@@H](O)c1ccccc1)[*:1]
CC(C)CCNC(=O)c1cc2c(=O)n3ccccc3nc2n1C CC(C)C[*:1] Cn1c(cc2c(=O)n3ccccc3nc21)C(=O)NC[*:1]
CC(C)CCNC(=O)c1cc2c(=O)n3ccccc3nc2n1C CC(C)[*:1] Cn1c(cc2c(=O)n3ccccc3nc21)C(=O)NCC[*:1]
CC(C)CCNC(=O)c1cc2c(=O)n3ccccc3nc2n1C CC(C)CC[*:1] Cn1c(cc2c(=O)n3ccccc3nc21)C(=O)N[*:1]
Cc1ccc(C)c(NCC[NH2+]C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(C)c(c1)NCC[NH2+]C[*:1]
CCCn1c(C)nnc1SCC(=O)N(C)OC CCC[*:1] CON(C)C(=O)CSc1nnc(C)n1[*:1]
N#CCOc1cccc(CC(=O)Nc2ccc(Cl)c(C#N)c2)c1 N#CCO[*:1] N#Cc1cc(ccc1Cl)NC(=O)Cc1cccc(c1)[*:1]
N#CCOc1cccc(CC(=O)Nc2ccc(Cl)c(C#N)c2)c1 N#CC[*:1] N#Cc1cc(ccc1Cl)NC(=O)Cc1cccc(c1)O[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)Nc2cnn(C(C)C)c2)ccc1Cl CC(C)n1cc(cn1)[*:1] CC(=O)Nc1cc(ccc1Cl)NC(=O)C(=O)N[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)Nc2cnn(C(C)C)c2)ccc1Cl CC(C)[*:1] CC(=O)Nc1cc(ccc1Cl)NC(=O)C(=O)Nc1cnn(c1)[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)Nc2cnn(C(C)C)c2)ccc1Cl CC(=O)N[*:1] CC(C)n1cc(cn1)NC(=O)C(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(C)OCC[NH+]1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 CC(C)[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)N1CC[NH+](CCO[*:1])CC1
CC(C)OCC[NH+]1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 CC(C)OC[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)N1CC[NH+](CC1)C[*:1]
CC(C)OCC[NH+]1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 CC(C)O[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)N1CC[NH+](CC1)CC[*:1]
CC(C)OCC[NH+]1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 c1cc(ccn1)[*:1] CC(C)OCC[NH+]1CCN(CC1)c1nc(nc2CCCc21)[*:1]
CC(C)OCC[NH+]1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 CC(C)OCC[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)N1CC[NH+](CC1)[*:1]
C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](c1ccco1)N(C)C CN(C)[*:1] C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](c1ccco1)[*:1]
C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](c1ccco1)N(C)C c1coc(c1)[*:1] C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](N(C)C)[*:1]
O=C(c1cc(N2CCCC2=O)ccc1Cl)N1CCSCC1 O=C1CCCN1[*:1] O=C(c1cc(ccc1Cl)[*:1])N1CCSCC1
CC[C@H](C)[C@H](NC(=O)c1ccccc1OC(F)F)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@@H](NC(=O)c1ccccc1OC(F)F)[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1OC(F)F)C(N)=O FC(F)O[*:1] CC[C@H](C)[C@H](NC(=O)c1ccccc1[*:1])C(N)=O
CC[C@H](C)[C@H](NC(=O)c1ccccc1OC(F)F)C(N)=O FC(F)[*:1] CC[C@H](C)[C@H](NC(=O)c1ccccc1O[*:1])C(N)=O
CC[C@H](C)[C@H](NC(=O)c1ccccc1OC(F)F)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)c1ccccc1OC(F)F)[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1cccn(C)c1=O Cc1noc(C)c1[*:1] C[C@H](C[*:1])NC(=O)Nc1cccn(C)c1=O
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1OC Cc1ccccc1NC(=O)[*:1] CCOc1ccc(cc1OC)[C@H]1C(=C(C)Nc2ncnn21)[*:1]
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1OC Cc1ccccc1[*:1] CCOc1ccc(cc1OC)[C@H]1C(C(=O)N[*:1])=C(C)Nc2ncnn21
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2ncnn21
O=C(c1cn(Cc2cccnc2)nn1)N1CC[C@@H](C[NH+]2CCCCC2)C1 c1cncc(c1)[*:1] O=C(c1cn(C[*:1])nn1)N1CC[C@H](C1)C[NH+]1CCCCC1
O=C(c1cn(Cc2cccnc2)nn1)N1CC[C@@H](C[NH+]2CCCCC2)C1 c1cncc(c1)C[*:1] O=C(c1cn(nn1)[*:1])N1CC[C@H](C1)C[NH+]1CCCCC1
C[C@@H]1Oc2c(C(=O)[O-])cccc2[C@@H]1C O=C([O-])[*:1] C[C@@H]1Oc2c(cccc2[*:1])[C@@H]1C
Cc1nc(CN(C)[C@@H]2CCN([C@@H]3C[C@H](C)OC3=O)C2)no1 Cc1nc(no1)[*:1] C[C@H]1C[C@H](C(=O)O1)N1CC[C@H](C1)N(C)C[*:1]
Cc1nc(CN(C)[C@@H]2CCN([C@@H]3C[C@H](C)OC3=O)C2)no1 C[C@H]1C[C@H](C(=O)O1)[*:1] Cc1nc(CN(C)[C@@H]2CCN(C2)[*:1])no1
Cc1nc(CN(C)[C@@H]2CCN([C@@H]3C[C@H](C)OC3=O)C2)no1 Cc1nc(C[*:1])no1 C[C@H]1C[C@H](C(=O)O1)N1CC[C@H](C1)N(C)[*:1]
CN(C)C(=O)c1ccc(Cl)c(NCC(=O)N(C)c2ccccc2)c1 CN(C)C(=O)[*:1] CN(C(=O)CNc1cc(ccc1Cl)[*:1])c1ccccc1
CN(C)C(=O)c1ccc(Cl)c(NCC(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(Cl)c(c1)NCC(=O)N(C)[*:1]
COc1ccc2nc(-n3nc(C)cc3NC(=O)c3cc(-c4ccco4)on3)sc2c1 c1coc(c1)[*:1] COc1ccc2nc(sc2c1)-n1nc(C)cc1NC(=O)c1cc(on1)[*:1]
COc1ccc2nc(-n3nc(C)cc3NC(=O)c3cc(-c4ccco4)on3)sc2c1 c1coc(c1)-c1cc(no1)[*:1] COc1ccc2nc(sc2c1)-n1nc(C)cc1NC(=O)[*:1]
Cc1cnn(CCC(=O)Nc2nc(C(C)C)cs2)c1 Cc1cnn(c1)[*:1] CC(C)c1csc(n1)NC(=O)CC[*:1]
Cc1cnn(CCC(=O)Nc2nc(C(C)C)cs2)c1 CC(C)[*:1] Cc1cnn(c1)CCC(=O)Nc1nc(cs1)[*:1]
CO[C@@H](C)c1cccc(NC(=O)C(=O)N[C@H](C)c2cn(C)nc2C)c1 Cc1nn(C)cc1[*:1] CO[C@@H](C)c1cccc(c1)NC(=O)C(=O)N[C@H](C)[*:1]
CO[C@@H](C)c1cccc(NC(=O)C(=O)N[C@H](C)c2cn(C)nc2C)c1 CO[C@@H](C)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)c(F)c2)NC(=S)N1c1ccc2c(c1)OCCO2 Fc1ccc(cc1F)[*:1] CC1=C(C(=O)OC(C)C)[C@@H](NC(=S)N1c1ccc2OCCOc2c1)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)c(F)c2)NC(=S)N1c1ccc2c(c1)OCCO2 CC(C)[*:1] CC1=C(C(=O)O[*:1])[C@H](NC(=S)N1c1ccc2OCCOc2c1)c1ccc(F)c(F)c1
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)c(F)c2)NC(=S)N1c1ccc2c(c1)OCCO2 CC(C)OC(=O)[*:1] CC1=C([C@H](NC(=S)N1c1ccc2OCCOc2c1)c1ccc(F)c(F)c1)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)c(F)c2)NC(=S)N1c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] CC1=C(C(=O)OC(C)C)[C@H](NC(=S)N1[*:1])c1ccc(F)c(F)c1
C[C@H](Oc1ccccc1F)C(=O)NCCn1nc(-c2ccccc2)ccc1=O Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NCCn1nc(ccc1=O)-c1ccccc1
C[C@H](Oc1ccccc1F)C(=O)NCCn1nc(-c2ccccc2)ccc1=O Fc1ccccc1O[*:1] C[C@H](C(=O)NCCn1nc(ccc1=O)-c1ccccc1)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NCCn1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1F)C(=O)NCCn1nc(ccc1=O)[*:1]
COc1ccc2c(c1)[C@]([NH2+]C1CC1)(c1nccs1)CC2 C1CC1[*:1] COc1ccc2CC[C@@]([NH2+][*:1])(c3nccs3)c2c1
COc1ccc2c(c1)[C@]([NH2+]C1CC1)(c1nccs1)CC2 c1csc(n1)[*:1] COc1ccc2CC[C@@]([NH2+]C3CC3)(c2c1)[*:1]
CCCOC(=O)[C@H](CC)Sc1n[nH]c(=O)[nH]c1=O CCC[*:1] CC[C@H](Sc1n[nH]c(=O)[nH]c1=O)C(=O)O[*:1]
CCCOC(=O)[C@H](CC)Sc1n[nH]c(=O)[nH]c1=O CCCOC(=O)[*:1] CC[C@H](Sc1n[nH]c(=O)[nH]c1=O)[*:1]
O=C(c1ccc2cc[nH]c2c1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 C1CO[C@@H](C1)[*:1] O=C(c1ccc2cc[nH]c2c1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(c1ccc2cc[nH]c2c1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(c1ccc2cc[nH]c2c1)N(C[C@@H]1CCCO1)[*:1]
O=C(c1ccc2cc[nH]c2c1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 C1CO[C@@H](C1)C[*:1] O=C(c1ccc2cc[nH]c2c1)N([C@H]1CCS(=O)(=O)C1)[*:1]
CC(=O)NCc1nc(-c2ccc(=O)[nH]c2)no1 CC(=O)N[*:1] O=c1ccc(c[nH]1)-c1noc(C[*:1])n1
CC(=O)NCc1nc(-c2ccc(=O)[nH]c2)no1 CC(=O)NC[*:1] O=c1ccc(c[nH]1)-c1noc(n1)[*:1]
CC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)N3CCCCC3)c2)nc1 CC(C)[*:1] O=C(C[*:1])Nc1ccc(nc1)-n1cnc(c1)C(=O)N1CCCCC1
CC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)N3CCCCC3)c2)nc1 CC(C)CC(=O)N[*:1] O=C(c1cn(cn1)-c1ccc(cn1)[*:1])N1CCCCC1
CC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)N3CCCCC3)c2)nc1 CC(C)C[*:1] O=C(c1cn(cn1)-c1ccc(cn1)NC(=O)[*:1])N1CCCCC1
CC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)N3CCCCC3)c2)nc1 O=C(N1CCCCC1)[*:1] CC(C)CC(=O)Nc1ccc(nc1)-n1cnc(c1)[*:1]
CC(=O)N[C@H](c1ccccc1)C1[NH+]=c2ccccc2=[NH+]1 CC(=O)N[*:1] c1ccc(cc1)[C@H](C1[NH+]=c2ccccc2=[NH+]1)[*:1]
CC(=O)N[C@H](c1ccccc1)C1[NH+]=c2ccccc2=[NH+]1 c1ccc(cc1)[*:1] CC(=O)N[C@H](C1[NH+]=c2ccccc2=[NH+]1)[*:1]
Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2ccncc2C)cc1Cl Cc1cnccc1C[*:1] Cc1ccc(cc1Cl)NC(=O)C[C@H](C)[NH2+]C[*:1]
Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2ccncc2C)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1cnccc1CC[NH2+][C@@H](C)CC(=O)N[*:1]
Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2ccncc2C)cc1Cl Cc1cnccc1[*:1] Cc1ccc(cc1Cl)NC(=O)C[C@H](C)[NH2+]CC[*:1]
COC(=O)N(C)CC(=O)Nc1ccc2c3c(cccc13)CC2 COC(=O)N(C)[*:1] O=C(C[*:1])Nc1ccc2CCc3cccc1c32
COC(=O)N(C)CC(=O)Nc1ccc2c3c(cccc13)CC2 COC(=O)N(C)C[*:1] O=C(Nc1ccc2CCc3cccc1c32)[*:1]
CC(C)Cc1ccc([C@@H](C)c2nn3c(-c4ccco4)nnc3s2)cc1 c1coc(c1)[*:1] CC(C)Cc1ccc(cc1)[C@@H](C)c1nn2c(nnc2s1)[*:1]
CC(C)Cc1ccc([C@@H](C)c2nn3c(-c4ccco4)nnc3s2)cc1 CC(C)C[*:1] C[C@H](c1ccc(cc1)[*:1])c1nn2c(nnc2s1)-c1ccco1
CC(C)Cc1ccc([C@@H](C)c2nn3c(-c4ccco4)nnc3s2)cc1 CC(C)[*:1] C[C@H](c1ccc(cc1)C[*:1])c1nn2c(nnc2s1)-c1ccco1
O=C(Nc1cccc(Cl)c1Cl)C(=O)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1Cl)C(=O)N[C@@H](C1CC1)[*:1]
O=C(Nc1cccc(Cl)c1Cl)C(=O)N[C@@H](c1ccccc1)C1CC1 Clc1cccc(c1Cl)[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)C(=O)N[*:1]
O=C(Nc1cccc(Cl)c1Cl)C(=O)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(Nc1cccc(Cl)c1Cl)C(=O)N[C@@H](c1ccccc1)[*:1]
CCOc1ccccc1/C=C/C(=O)Nc1cc(OC)c(OC)cc1Cl CCO[*:1] COc1cc(Cl)c(cc1OC)NC(=O)/C=C/c1ccccc1[*:1]
Cc1cnn([C@H](C)[C@@H](C)Nc2c(C#N)c(=O)n(C)c(=O)n2C)c1 Cc1cnn(c1)[*:1] C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H](C)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 c1ccc(cc1)C[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(F)c(F)cc1Cl)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 Fc1cc(Cl)c(cc1F)[*:1] CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(F)c(F)cc1Cl
C=CCN(Cc1cccs1)C(=O)NCc1coc(-c2ccc(C)cc2)n1 c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)NCc1coc(n1)-c1ccc(C)cc1
C=CCN(Cc1cccs1)C(=O)NCc1coc(-c2ccc(C)cc2)n1 c1csc(c1)C[*:1] C=CCN(C(=O)NCc1coc(n1)-c1ccc(C)cc1)[*:1]
C=CCN(Cc1cccs1)C(=O)NCc1coc(-c2ccc(C)cc2)n1 C=CC[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)N(Cc1cccs1)[*:1]
C=CCN(Cc1cccs1)C(=O)NCc1coc(-c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] C=CCN(Cc1cccs1)C(=O)NCc1coc(n1)[*:1]
Cc1ccc(CCNCc2cn(C)nc2C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)CCNCc1cn(C)nc1[*:1]
Cc1ccc(CCNCc2cn(C)nc2C(C)(C)C)cc1 Cc1ccc(cc1)[*:1] Cn1cc(CNCC[*:1])c(n1)C(C)(C)C
CC1(C)CCSC[C@H]1[NH2+]CCCS(C)(=O)=O CS(=O)(=O)[*:1] CC1(C)CCSC[C@H]1[NH2+]CCC[*:1]
CC1(C)CCSC[C@H]1[NH2+]CCCS(C)(=O)=O CS(=O)(=O)C[*:1] CC1(C)CCSC[C@H]1[NH2+]CC[*:1]
O=C(c1nc(C2CC2)n2ccccc12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 C1CC1[*:1] O=C(c1nc(n2ccccc12)[*:1])N1CC[C@H](C1)Oc1cc[nH+]cc1
CC(=O)N1CCN(Cc2cccc(NC(=O)/C=C/C3CCOCC3)n2)CC1 C(=C[*:1])C1CCOCC1 CC(=O)N1CCN(CC1)Cc1cccc(n1)NC(=O)[*:1]
CC(=O)N1CCN(Cc2cccc(NC(=O)/C=C/C3CCOCC3)n2)CC1 C1CC(CCO1)[*:1] CC(=O)N1CCN(CC1)Cc1cccc(n1)NC(=O)C=C[*:1]
CC(=O)N1CCN(Cc2cccc(NC(=O)/C=C/C3CCOCC3)n2)CC1 CC(=O)N1CCN(CC1)[*:1] O=C(/C=C/C1CCOCC1)Nc1cccc(C[*:1])n1
O=C([O-])[C@@]1(c2ccccc2)CCCC[NH2+]1 O=C([O-])[*:1] c1ccc(cc1)[C@]1(CCCC[NH2+]1)[*:1]
CSc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 CC(C)[*:1] CSc1ccc(cc1)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)[*:1]
CSc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CSc1ccc(cc1)NC(=O)[C@@H](NC(=O)[*:1])C(C)C
CSc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 CSc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N[C@H](C(=O)N[*:1])C(C)C
COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)CSC1=NCCN1S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(C)cc2)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN=C1S[*:1]
COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN=C1SC[*:1]
O=S(=O)(NC[C@@H](C1=c2ccccc2=[NH+]C1)[C@H]1CC=CS1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=S(=O)(NC[C@@H](C1C[NH+]=c2ccccc2=1)[C@H]1CC=CS1)[*:1]
C[C@H](Cc1ccco1)[NH2+]C[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 c1coc(c1)C[*:1] C[C@H]([NH2+]C[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[*:1]
C[C@H](Cc1ccco1)[NH2+]C[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 c1coc(c1)[*:1] C[C@H](C[*:1])[NH2+]C[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(NCc2cccnc2)c1N c1cncc(c1)C[*:1] Cc1cc(c(Cl)cc1Nc1ncnc(N[*:1])c1N)[C@@H](C#N)c1ccc(Cl)cc1
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(NCc2cccnc2)c1N Clc1ccc(cc1)[*:1] Cc1cc(c(Cl)cc1Nc1ncnc(NCc2cccnc2)c1N)[C@@H](C#N)[*:1]
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(NCc2cccnc2)c1N c1cncc(c1)CN[*:1] Cc1cc(c(Cl)cc1Nc1ncnc(c1N)[*:1])[C@@H](C#N)c1ccc(Cl)cc1
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(NCc2cccnc2)c1N c1cncc(c1)[*:1] Cc1cc(c(Cl)cc1Nc1ncnc(NC[*:1])c1N)[C@@H](C#N)c1ccc(Cl)cc1
O=C1N=C(CSCCO)N=C2c3ccccc3CC3(CCCCC3)[C@H]12 OCCS[*:1] O=C1N=C(C[*:1])N=C2c3ccccc3CC3(CCCCC3)[C@H]12
O=C1N=C(CSCCO)N=C2c3ccccc3CC3(CCCCC3)[C@H]12 OCCSC[*:1] O=C1N=C(N=C2c3ccccc3CC3(CCCCC3)[C@H]12)[*:1]
O=C1N=C(CSCCO)N=C2c3ccccc3CC3(CCCCC3)[C@H]12 OCC[*:1] O=C1N=C(CS[*:1])N=C2c3ccccc3CC3(CCCCC3)[C@H]12
COc1ccccc1S(=O)(=O)Nc1ccc2nn(C(C)C)cc2c1 CC(C)[*:1] COc1ccccc1S(=O)(=O)Nc1ccc2nn(cc2c1)[*:1]
COc1ccccc1S(=O)(=O)Nc1ccc2nn(C(C)C)cc2c1 COc1ccccc1[*:1] CC(C)n1cc2cc(ccc2n1)NS(=O)(=O)[*:1]
CCOc1ccccc1N/C(=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])n1cncn1 ClC(Cl)=C(Cl)[*:1] CCOc1ccccc1N/C(=C(\[N+](=O)[O-])[*:1])n1cncn1
CCOc1ccccc1N/C(=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])n1cncn1 O=[N+]([O-])[*:1] CCOc1ccccc1NC(=C(C(Cl)=C(Cl)Cl)[*:1])n1cncn1
CCOc1ccccc1N/C(=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])n1cncn1 CCO[*:1] O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\Nc1ccccc1[*:1])n1cncn1
CCOc1ccccc1N/C(=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])n1cncn1 c1ncn(n1)[*:1] CCOc1ccccc1NC(=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])[*:1]
Cc1nc2ccccc2n1CCNC(=O)NC1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] Cc1nc2ccccc2n1CCNC(=O)NC1CC[NH+](CC1)[*:1]
Cc1nc2ccccc2n1CCNC(=O)NC1CC[NH+](CC(C)C)CC1 CC(C)[*:1] Cc1nc2ccccc2n1CCNC(=O)NC1CC[NH+](CC1)C[*:1]
O=C(NCc1ccccn1)c1nc(Cn2c(=O)oc3ccccc32)no1 c1ccc(nc1)[*:1] O=C(NC[*:1])c1nc(Cn2c(=O)oc3ccccc32)no1
O=C(NCc1ccccn1)c1nc(Cn2c(=O)oc3ccccc32)no1 c1ccc(C[*:1])nc1 O=C(N[*:1])c1nc(Cn2c(=O)oc3ccccc32)no1
COc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1O O=C([O-])[*:1] COc1ccc(cc1O)-c1cc(cc(c1)[*:1])C(=O)[O-]
O=C([O-])c1nc(NC[C@H]2c3ccccc3CSc3ccccc32)c2ccccc2n1 O=C([O-])[*:1] c1ccc2c(c1)CSc1ccccc1[C@H]2CNc1nc(nc2ccccc12)[*:1]
O=C(c1cn[nH]n1)N1CCC(COc2ccc3c(c2)CCC3)CC1 c1n[nH]nc1[*:1] O=C(N1CCC(CC1)COc1ccc2CCCc2c1)[*:1]
Cc1nnsc1C(=O)N1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 Cc1nnsc1[*:1] CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
CC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 CC[C@@H](C)[*:1] CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)[*:1]
Cc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(OCc1cc(cc2COCOc21)[N+](=O)[O-])[*:1]
Cc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)o1 O=[N+]([O-])[*:1] Cc1cc(C(=O)OCc2cc(cc3COCOc32)[*:1])c(C)o1
COc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cc2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)C[*:1]
COc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cc2cccs2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1cccs1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
COc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cc2cccs2)cc1 c1csc(c1)C[*:1] COc1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
Nc1c(C(=O)c2cccs2)sc2c1[C@@H](c1ccccc1Cl)CC(=O)N2 c1csc(c1)[*:1] Nc1c(sc2NC(=O)C[C@H](c3ccccc3Cl)c21)C(=O)[*:1]
Nc1c(C(=O)c2cccs2)sc2c1[C@@H](c1ccccc1Cl)CC(=O)N2 O=C(c1cccs1)[*:1] Nc1c(sc2NC(=O)C[C@H](c3ccccc3Cl)c21)[*:1]
Nc1c(C(=O)c2cccs2)sc2c1[C@@H](c1ccccc1Cl)CC(=O)N2 Clc1ccccc1[*:1] Nc1c(sc2NC(=O)C[C@H](c21)[*:1])C(=O)c1cccs1
O=C(Cc1ccc(F)c(F)c1)Nc1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(Cc1ccc(F)c(F)c1)Nc1cccc(c1)[*:1]
O=C(Cc1ccc(F)c(F)c1)Nc1cccc(OC(F)F)c1 FC(F)[*:1] O=C(Cc1ccc(F)c(F)c1)Nc1cccc(c1)O[*:1]
C[C@@]1(C(=O)N[C@@H](c2ccccc2)C2CC2)Cc2ccccc2C(=O)O1 C1CC1[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)N[C@@H](c1ccccc1)[*:1]
C[C@@]1(C(=O)N[C@@H](c2ccccc2)C2CC2)Cc2ccccc2C(=O)O1 c1ccc(cc1)[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)N[C@@H](C1CC1)[*:1]
Cc1nc(C[NH2+][C@@H](CC(C)C)c2ccccc2)c(C)s1 CC(C)[*:1] Cc1nc(C[NH2+][C@@H](C[*:1])c2ccccc2)c(C)s1
Cc1nc(C[NH2+][C@@H](CC(C)C)c2ccccc2)c(C)s1 c1ccc(cc1)[*:1] Cc1nc(C[NH2+][C@@H](CC(C)C)[*:1])c(C)s1
Cc1nc(C[NH2+][C@@H](CC(C)C)c2ccccc2)c(C)s1 CC(C)C[*:1] Cc1nc(C[NH2+][C@@H](c2ccccc2)[*:1])c(C)s1
CCOC(=O)CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 CCOC(=O)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)NC[*:1]
CCOC(=O)CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 CCOC(=O)C[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N[*:1]
CCOC(=O)CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 Cc1ccc(cc1C)[*:1] CCOC(=O)CNC(=O)[C@@H]1CCC(=O)N(C1)[*:1]
CCOc1ccc([C@H]2[NH+]=c3ccc(Cl)cc3=[NH+]2)cc1CO CCO[*:1] OCc1cc(ccc1[*:1])[C@H]1[NH+]=c2ccc(Cl)cc2=[NH+]1
Cc1cccc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)c1 NC(=O)[*:1] Cc1cccc(/C=C/C(=O)Nc2cccc(c2)[*:1])c1
Cc1cccc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)c1 Cc1cccc(c1)[*:1] NC(=O)c1cccc(c1)NC(=O)C=C[*:1]
COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 c1cc2OCOc2cc1[*:1] COc1ccc(F)cc1S(=O)(=O)NC[C@@H](N1CC[NH+](C)CC1)[*:1]
COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 COc1ccc(F)cc1[*:1] C[NH+]1CCN(CC1)[C@@H](CNS(=O)(=O)[*:1])c1ccc2OCOc2c1
Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H]3CCCO3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCCc1ccc(cc1)[*:1])[C@H]1CCCO1
COC(=O)c1cccc(NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCC(C)CC2)c1 CC1CCN(CC1)C(=O)[*:1] COC(=O)c1cccc(c1)NC(=O)CN1CCc2ccccc2[C@@H]1[*:1]
COC(=O)c1cccc(NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCC(C)CC2)c1 COC(=O)c1cccc(c1)[*:1] CC1CCN(CC1)C(=O)[C@@H]1c2ccccc2CCN1CC(=O)N[*:1]
COC(=O)c1cccc(NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCC(C)CC2)c1 COC(=O)[*:1] CC1CCN(CC1)C(=O)[C@@H]1c2ccccc2CCN1CC(=O)Nc1cccc(c1)[*:1]
COC(=O)C1(N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCCC1 CC(C)(C)[*:1] COC(=O)C1(CCCC1)N(C)[C@@H]1CCN(C1)C(=O)O[*:1]
COC(=O)C1(N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCCC1 COC(=O)[*:1] CN([C@@H]1CCN(C1)C(=O)OC(C)(C)C)C1(CCCC1)[*:1]
COc1cc([C@@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C23)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C12
COc1cc([C@@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C23)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])[C@@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C12
COc1cc([C@@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C23)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C12
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@]1(C)CC1(Cl)Cl Fc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)[C@]1(C)CC1(Cl)Cl
CCN(Cc1ccccn1)C(=O)Nc1cccc(Cl)c1N(C)C CN(C)[*:1] CCN(Cc1ccccn1)C(=O)Nc1cccc(Cl)c1[*:1]
CCN(Cc1ccccn1)C(=O)Nc1cccc(Cl)c1N(C)C c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)Nc1cccc(Cl)c1N(C)C
CCN(Cc1ccccn1)C(=O)Nc1cccc(Cl)c1N(C)C c1ccc(C[*:1])nc1 CCN(C(=O)Nc1cccc(Cl)c1N(C)C)[*:1]
Cc1ccc(C)n1-c1c(C(=O)NCc2ccccc2)sc2ncccc12 c1ccc(cc1)C[*:1] Cc1ccc(C)n1-c1c(sc2ncccc12)C(=O)N[*:1]
Cc1ccc(C)n1-c1c(C(=O)NCc2ccccc2)sc2ncccc12 c1ccc(cc1)[*:1] Cc1ccc(C)n1-c1c(sc2ncccc12)C(=O)NC[*:1]
Cc1ccc(C)n1-c1c(C(=O)NCc2ccccc2)sc2ncccc12 Cc1ccc(C)n1[*:1] O=C(NCc1ccccc1)c1sc2ncccc2c1[*:1]
CC(C)[C@@H](O)CCNC(=O)Nc1cc(-c2ccccc2)on1 CC(C)[C@@H](O)CC[*:1] O=C(Nc1cc(on1)-c1ccccc1)N[*:1]
CC(C)[C@@H](O)CCNC(=O)Nc1cc(-c2ccccc2)on1 CC(C)[*:1] O=C(NCC[C@H](O)[*:1])Nc1cc(on1)-c1ccccc1
CC(C)[C@@H](O)CCNC(=O)Nc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] CC(C)[C@@H](O)CCNC(=O)Nc1cc(on1)[*:1]
CC(C)[C@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 C[C@@H]1C[C@@H]1[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)c1cccc(c1)NC(=O)[*:1]
CC(C)[C@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 C[C@@H]1C[C@@H]1C(=O)N[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)c1cccc(c1)[*:1]
CC(C)[C@H]1C(=O)NCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 CC(C)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1cccc(c1)C(=O)N1CCNC(=O)[C@@H]1[*:1]
N#Cc1ccc(NC(=O)C2(c3cc(-c4ccccc4F)on3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])C1(CC1)c1cc(on1)-c1ccccc1F
N#Cc1ccc(NC(=O)C2(c3cc(-c4ccccc4F)on3)CC2)cc1 Fc1ccccc1[*:1] N#Cc1ccc(cc1)NC(=O)C1(CC1)c1cc(on1)[*:1]
C[C@@H](Nc1ccc(CO)cc1)c1ncc(C(C)(C)C)o1 CC(C)(C)[*:1] C[C@@H](Nc1ccc(cc1)CO)c1ncc(o1)[*:1]
COc1cccc(C(=O)N[C@H](C)Cc2cccs2)c1OC c1csc(c1)C[*:1] COc1cccc(C(=O)N[C@H](C)[*:1])c1OC
COc1cccc(C(=O)N[C@H](C)Cc2cccs2)c1OC c1csc(c1)[*:1] COc1cccc(C(=O)N[C@H](C)C[*:1])c1OC
COc1nc2ccccc2cc1CN1CC[C@H](S(=O)(=O)NC2CC2)C1 O=S(=O)(NC1CC1)[*:1] COc1nc2ccccc2cc1CN1CC[C@H](C1)[*:1]
COc1nc2ccccc2cc1CN1CC[C@H](S(=O)(=O)NC2CC2)C1 C1CC1[*:1] COc1nc2ccccc2cc1CN1CC[C@@H](C1)S(=O)(=O)N[*:1]
Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Cl)c1)O3)CN(Cc1cccnc1)CO2 c1cncc(c1)[*:1] Cc1cc2OCN(Cc2c2O/C(=C\c3cccc(Cl)c3)C(=O)c12)C[*:1]
Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Cl)c1)O3)CN(Cc1cccnc1)CO2 Clc1cccc(c1)[*:1] Cc1cc2OCN(Cc3cccnc3)Cc2c2OC(=C[*:1])C(=O)c12
Cc1cc2c(c3c1C(=O)/C(=C/c1cccc(Cl)c1)O3)CN(Cc1cccnc1)CO2 c1cncc(c1)C[*:1] Cc1cc2OCN(Cc2c2O/C(=C\c3cccc(Cl)c3)C(=O)c12)[*:1]
CCc1c(C)nc(Nc2ccccc2)n2c(=O)[nH]nc12 c1ccc(cc1)[*:1] CCc1c(C)nc(N[*:1])n2c(=O)[nH]nc12
CC(C)CN(C(=O)NCC1CCC1)C1CC1 CC(C)C[*:1] O=C(NCC1CCC1)N(C1CC1)[*:1]
CC(C)CN(C(=O)NCC1CCC1)C1CC1 CC(C)[*:1] O=C(NCC1CCC1)N(C[*:1])C1CC1
CC(C)CN(C(=O)NCC1CCC1)C1CC1 C1CC(C1)C[*:1] CC(C)CN(C(=O)N[*:1])C1CC1
CC(C)CN(C(=O)NCC1CCC1)C1CC1 C1CC(C1)[*:1] CC(C)CN(C(=O)NC[*:1])C1CC1
CC(C)CN(C(=O)NCC1CCC1)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)NCC1CCC1)[*:1]
CC(=O)C(=O)N1CCC(c2cc(N3CCOCC3)nc(C)[nH+]2)CC1 C1CN(CCO1)[*:1] CC(=O)C(=O)N1CCC(CC1)c1cc(nc(C)[nH+]1)[*:1]
C[C@@H](CCCO)NC(=O)NNc1ccc(F)cc1 C[C@@H](CCCO)[*:1] O=C(NNc1ccc(F)cc1)N[*:1]
C[C@@H](CCCO)NC(=O)NNc1ccc(F)cc1 OCC[*:1] C[C@@H](C[*:1])NC(=O)NNc1ccc(F)cc1
C[C@@H](CCCO)NC(=O)NNc1ccc(F)cc1 OCCC[*:1] C[C@@H](NC(=O)NNc1ccc(F)cc1)[*:1]
COC1CCN(c2cc[nH+]c(C(=O)[O-])c2)CC1 O=C([O-])[*:1] COC1CCN(CC1)c1cc[nH+]c(c1)[*:1]
O=C1CCCN1C[C@@H]1CCCCN1C(=O)Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C1CCCN1C[C@@H]1CCCCN1C(=O)C[*:1]
O=C1CCCN1C[C@@H]1CCCCN1C(=O)Cc1ccc(F)c(F)c1 O=C1CCCN1[*:1] O=C(Cc1ccc(F)c(F)c1)N1CCCC[C@H]1C[*:1]
O=C1CCCN1C[C@@H]1CCCCN1C(=O)Cc1ccc(F)c(F)c1 O=C1CCCN1C[*:1] O=C(Cc1ccc(F)c(F)c1)N1CCCC[C@H]1[*:1]
C[C@@H](c1ccc(F)c(F)c1)N(C)CCc1nc2ccccc2c(=O)[nH]1 Fc1ccc(cc1F)[*:1] C[C@@H](N(C)CCc1nc2ccccc2c(=O)[nH]1)[*:1]
O=C(COc1ccc(N2CCCC2=O)cc1)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] O=C(COc1ccc(cc1)N1CCCC1=O)N[*:1]
O=C(COc1ccc(N2CCCC2=O)cc1)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(COc1ccc(cc1)N1CCCC1=O)NC(C1CC1)[*:1]
O=C(COc1ccc(N2CCCC2=O)cc1)NC(C1CC1)C1CC1 O=C1CCCN1[*:1] O=C(COc1ccc(cc1)[*:1])NC(C1CC1)C1CC1
CCCCN(C)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 CCC[*:1] CN(C[*:1])C(=O)[C@@H]1CC(=O)N(C1)c1cccc2ccccc12
CCCCN(C)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 CCCC[*:1] CN(C(=O)[C@@H]1CC(=O)N(C1)c1cccc2ccccc12)[*:1]
CCCCN(C)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 CCCCN(C)C(=O)[*:1] O=C1C[C@H](CN1c1cccc2ccccc12)[*:1]
O=C1C[C@@H](C(=O)N2CCCCC2)[C@@H](c2ccc3c(c2)OCCO3)O1 O=C(N1CCCCC1)[*:1] O=C1C[C@@H]([C@H](O1)c1ccc2OCCOc2c1)[*:1]
CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(F)cc3)ccc21 Fc1ccc(cc1)OC[*:1] CCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)[*:1]
CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(F)cc3)ccc21 Fc1ccc(cc1)O[*:1] CCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)C[*:1]
CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)CO[*:1]
COC(=O)CCC(=O)NC[C@H]1Cc2cc(C)cc(-c3nc4ccccc4s3)c2O1 COC(=O)CCC(=O)N[*:1] Cc1cc2C[C@H](C[*:1])Oc2c(c1)-c1nc2ccccc2s1
COC(=O)CCC(=O)NC[C@H]1Cc2cc(C)cc(-c3nc4ccccc4s3)c2O1 COC(=O)C[*:1] Cc1cc2C[C@H](CNC(=O)C[*:1])Oc2c(c1)-c1nc2ccccc2s1
COC(=O)CCC(=O)NC[C@H]1Cc2cc(C)cc(-c3nc4ccccc4s3)c2O1 COC(=O)CC[*:1] Cc1cc2C[C@H](CNC(=O)[*:1])Oc2c(c1)-c1nc2ccccc2s1
COC(=O)CCC(=O)NC[C@H]1Cc2cc(C)cc(-c3nc4ccccc4s3)c2O1 COC(=O)[*:1] Cc1cc2C[C@H](CNC(=O)CC[*:1])Oc2c(c1)-c1nc2ccccc2s1
COC(=O)CCC(=O)NC[C@H]1Cc2cc(C)cc(-c3nc4ccccc4s3)c2O1 c1ccc2sc(nc2c1)[*:1] COC(=O)CCC(=O)NC[C@H]1Cc2cc(C)cc(c2O1)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)N1C[C@@H](C)C[C@@H](C)C1 Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)OCC(=O)N1C[C@@H](C)C[C@@H](C)C1)[*:1]
C[C@H]1CN(CCCNC(=O)c2ccc(-n3cncn3)nc2)C[C@H](C)O1 c1ncn(n1)[*:1] C[C@H]1CN(CCCNC(=O)c2ccc(nc2)[*:1])C[C@H](C)O1
CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)c(C)n1 c1ccc(cc1)C[*:1] CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3[*:1])c(C)n1
CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)c(C)n1 c1ccc(cc1)[*:1] CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3C[*:1])c(C)n1
CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)c(C)n1 CCn1cc(c(C)n1)[*:1] Cc1cc(C(=O)N[*:1])c2c(C)nn(Cc3ccccc3)c2n1
CSc1nc2ccc3nc(NC(=O)c4nccn4C)sc3c2s1 Cn1ccnc1[*:1] CSc1nc2ccc3nc(NC(=O)[*:1])sc3c2s1
Cc1ccc([C@H](C)NC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)o1 CC(C)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)c1nnn(-c2ccc(cc2)O[*:1])c1C
Cc1ccc([C@H](C)NC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)o1 CC(C)O[*:1] Cc1ccc(o1)[C@H](C)NC(=O)c1nnn(-c2ccc(cc2)[*:1])c1C
Cc1ccc([C@H](C)NC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)o1 Cc1ccc(o1)[*:1] Cc1c(nnn1-c1ccc(cc1)OC(C)C)C(=O)N[C@@H](C)[*:1]
CCNC(=O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 CCNC(=O)C[*:1] O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC1)[*:1]
CCNC(=O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 CCNC(=O)[*:1] O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CC[NH+](CC1)C[*:1]
CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 c1ccc(cc1)C[*:1] CC(C)(C)N(C(=O)CN1C(=O)c2cccc3cccc1c23)[*:1]
CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 c1ccc(cc1)[*:1] CC(C)(C)N(C[*:1])C(=O)CN1C(=O)c2cccc3cccc1c23
CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 CC(C)(C)[*:1] O=C1c2cccc3cccc(c23)N1CC(=O)N(Cc1ccccc1)[*:1]
COc1ccc(C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1Cl O=C([O-])[*:1] COc1ccc(cc1Cl)C(=O)Nc1cc(c(Cl)cc1Cl)[*:1]
CN(CCC(=O)OC(C)(C)C)C(=O)c1cccc(-c2ccoc2)c1 CC(C)(C)[*:1] CN(CCC(=O)O[*:1])C(=O)c1cccc(c1)-c1ccoc1
CN(CCC(=O)OC(C)(C)C)C(=O)c1cccc(-c2ccoc2)c1 CC(C)(C)OC(=O)C[*:1] CN(C[*:1])C(=O)c1cccc(c1)-c1ccoc1
CN(CCC(=O)OC(C)(C)C)C(=O)c1cccc(-c2ccoc2)c1 CC(C)(C)OC(=O)[*:1] CN(CC[*:1])C(=O)c1cccc(c1)-c1ccoc1
CN(CCC(=O)OC(C)(C)C)C(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] CN(CCC(=O)OC(C)(C)C)C(=O)c1cccc(c1)[*:1]
N#CCOc1cccc(CC(=O)N2CCOc3cc(F)ccc32)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])N1CCOc2cc(F)ccc21
N#CCOc1cccc(CC(=O)N2CCOc3cc(F)ccc32)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])N1CCOc2cc(F)ccc21
COc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1cccs1 c1ccc2oc(cc2c1)[*:1] COc1cc(ccc1NC(=O)c1cccs1)NC(=O)[*:1]
COc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1cccs1 c1csc(c1)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)c1cc2ccccc2o1
COc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1cccs1 O=C(N[*:1])c1cccs1 COc1cc(ccc1[*:1])NC(=O)c1cc2ccccc2o1
CN(C)C(=O)Nc1cccc(C(=O)N[C@H](CC(N)=O)C2CCCCC2)c1 CN(C)C(=O)N[*:1] NC(=O)C[C@@H](NC(=O)c1cccc(c1)[*:1])C1CCCCC1
CN(C)C(=O)Nc1cccc(C(=O)N[C@H](CC(N)=O)C2CCCCC2)c1 NC(=O)[*:1] CN(C)C(=O)Nc1cccc(c1)C(=O)N[C@H](C[*:1])C1CCCCC1
CN(C)C(=O)Nc1cccc(C(=O)N[C@H](CC(N)=O)C2CCCCC2)c1 NC(=O)C[*:1] CN(C)C(=O)Nc1cccc(c1)C(=O)N[C@H](C1CCCCC1)[*:1]
CN(C)C(=O)Nc1cccc(C(=O)N[C@H](CC(N)=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] CN(C)C(=O)Nc1cccc(c1)C(=O)N[C@H](CC(N)=O)[*:1]
Cc1ccc(NCc2ccc(C(=O)NCC3(CO)CCC3)cc2)cc1 OCC1(CCC1)[*:1] Cc1ccc(cc1)NCc1ccc(cc1)C(=O)NC[*:1]
Cc1ccc(NCc2ccc(C(=O)NCC3(CO)CCC3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC1(CO)CCC1)c1ccc(cc1)CN[*:1]
Cc1ccc(NCc2ccc(C(=O)NCC3(CO)CCC3)cc2)cc1 OCC1(CCC1)C[*:1] Cc1ccc(cc1)NCc1ccc(cc1)C(=O)N[*:1]
Cc1ccc(NCc2ccc(C(=O)NCC3(CO)CCC3)cc2)cc1 Cc1ccc(cc1)N[*:1] O=C(NCC1(CO)CCC1)c1ccc(cc1)C[*:1]
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Cn1c([N+](=O)[O-])cnc1C c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)Cn1c(cnc1C)[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Cn1c([N+](=O)[O-])cnc1C O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1NC(=O)Cn1c(cnc1C)[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Cn1c([N+](=O)[O-])cnc1C O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)Cn1c(cnc1C)[*:1])C(=O)Nc1ccccc1
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cnc2sccn2c1=O Fc1ccc(F)c(c1)[*:1] C[C@H](N(C)C(=O)c1cnc2sccn2c1=O)[*:1]
COc1ccc(-n2nnc(-c3nc(C)c(C(=O)NC4CCCC4)s3)c2C)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)-n1nnc(-c2nc(C)c(s2)C(=O)N[*:1])c1C
COc1ccc(-n2nnc(-c3nc(C)c(C(=O)NC4CCCC4)s3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NC1CCCC1)-c1nnn(c1C)[*:1]
COc1ccc(-n2nnc(-c3nc(C)c(C(=O)NC4CCCC4)s3)c2C)cc1 O=C(NC1CCCC1)[*:1] COc1ccc(cc1)-n1nnc(-c2nc(C)c(s2)[*:1])c1C
Cc1nc(NC(=O)[C@@H](C)Sc2ccccn2)sc1C c1ccc(nc1)[*:1] Cc1nc(NC(=O)[C@@H](C)S[*:1])sc1C
O=C(NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(CSc1nnc(C[*:1])n1-c1ccccc1)N1CCc2ccccc21
O=C(NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(CSc1nnc(CNC(=O)[*:1])n1-c1ccccc1)N1CCc2ccccc21
O=C(NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1)c1ccco1 O=C(N1CCc2ccccc21)[*:1] O=C(NCc1nnc(SC[*:1])n1-c1ccccc1)c1ccco1
O=C(NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1)c1ccco1 O=C(NC[*:1])c1ccco1 O=C(CSc1nnc(n1-c1ccccc1)[*:1])N1CCc2ccccc21
O=C(NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(NCc1nnc(SCC(=O)N2CCc3ccccc32)n1[*:1])c1ccco1
COC(=O)C[C@@H](C[NH3+])c1ccccc1OC COC(=O)C[*:1] COc1ccccc1[C@H](C[NH3+])[*:1]
COC(=O)C[C@@H](C[NH3+])c1ccccc1OC COC(=O)[*:1] COc1ccccc1[C@H](C[NH3+])C[*:1]
Cc1csc([C@@H](C)NC(=O)Cc2csc(-c3cccs3)n2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)Cc1csc(n1)-c1cccs1)[*:1]
Cc1csc([C@@H](C)NC(=O)Cc2csc(-c3cccs3)n2)n1 c1csc(c1)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)Cc1csc(n1)[*:1]
C[C@@H](Cc1ccccc1F)[NH2+]CCN1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](Cc1ccccc1F)[NH2+]CC[*:1]
Cc1ccc(F)cc1NC(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1ccc(F)cc1NC(=O)c1ccc(cc1)[*:1]
COC(=O)CCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 COC(=O)CC[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)N[*:1]
COC(=O)CCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 COC(=O)[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)NCC[*:1]
COC(=O)CCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 COC(=O)C[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)NC[*:1]
COC(=O)CCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] COC(=O)CCNC(=O)Cn1c(nc2ccccc21)[*:1]
C[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCCC2)CC1(C)OCCO1 CC1(OCCO1)[*:1] C[C@@H](CNC(=O)C(=O)Nc1cccc2CCCCc21)C[*:1]
CCC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 CCC[*:1] C[C@@H](C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)[*:1]
CCC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 CCC[C@@H](C)[*:1] O=C(c1ccc(cc1Cl)NC(=O)[*:1])N1CCOCC1
Cc1cc(C)c2cc(C(=O)O[C@H](C)C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)[nH]c2c1 Cc1cc(C)c2cc([nH]c2c1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
Cc1cc(C)c2cc(C(=O)O[C@H](C)C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)[nH]c2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)O[C@H](C)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)o1 CS(=O)(=O)[*:1] C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(Cl)c(c2)[*:1])o1
Cc1ccccc1CCNC(=O)N[C@H](C)C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1CCNC(=O)N[C@H](C)[*:1]
NC(=O)NC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 NC(=O)NC[*:1] O=[N+]([O-])c1ccc(cc1OC(F)F)N1CCCC[C@H]1[*:1]
NC(=O)NC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 FC(F)[*:1] NC(=O)NC[C@@H]1CCCCN1c1ccc(c(c1)O[*:1])[N+](=O)[O-]
NC(=O)NC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 NC(=O)N[*:1] O=[N+]([O-])c1ccc(cc1OC(F)F)N1CCCC[C@H]1C[*:1]
NC(=O)NC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 FC(F)O[*:1] NC(=O)NC[C@@H]1CCCCN1c1ccc(c(c1)[*:1])[N+](=O)[O-]
NC(=O)NC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 O=[N+]([O-])[*:1] NC(=O)NC[C@@H]1CCCCN1c1ccc(c(c1)OC(F)F)[*:1]
COc1cccc(CNC(=O)[C@H](C)Oc2ccccc2C(N)=O)c1 COc1cccc(c1)[*:1] C[C@H](Oc1ccccc1C(N)=O)C(=O)NC[*:1]
COc1cccc(CNC(=O)[C@H](C)Oc2ccccc2C(N)=O)c1 NC(=O)[*:1] COc1cccc(c1)CNC(=O)[C@H](C)Oc1ccccc1[*:1]
Cc1onc(-c2ccccc2)c1-c1nnc(COc2cc(F)ccc2[N+](=O)[O-])o1 c1ccc(cc1)[*:1] Cc1onc(c1-c1nnc(COc2cc(F)ccc2[N+](=O)[O-])o1)[*:1]
Cc1onc(-c2ccccc2)c1-c1nnc(COc2cc(F)ccc2[N+](=O)[O-])o1 O=[N+]([O-])[*:1] Cc1onc(-c2ccccc2)c1-c1nnc(COc2cc(F)ccc2[*:1])o1
COC[C@@H](O)CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1 COC[C@@H](O)[*:1] Cn1ccc2ccc(cc21)NC(=O)C(=O)NC[*:1]
COC[C@@H](O)CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1 COC[*:1] Cn1ccc2ccc(cc21)NC(=O)C(=O)NC[C@H](O)[*:1]
COC[C@@H](O)CNC(=O)C(=O)Nc1ccc2ccn(C)c2c1 COC[C@@H](O)C[*:1] Cn1ccc2ccc(cc21)NC(=O)C(=O)N[*:1]
COc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)NC(=O)N1CC[NH+](CC1)[*:1]
CC(C)(C)C(=O)NCC(=O)OC(c1ccccc1)c1ccccc1 CC(C)(C)C(=O)N[*:1] O=C(C[*:1])OC(c1ccccc1)c1ccccc1
CC(C)(C)C(=O)NCC(=O)OC(c1ccccc1)c1ccccc1 CC(C)(C)C(=O)NC[*:1] O=C(OC(c1ccccc1)c1ccccc1)[*:1]
CC(C)(C)C(=O)NCC(=O)OC(c1ccccc1)c1ccccc1 CC(C)(C)[*:1] O=C(CNC(=O)[*:1])OC(c1ccccc1)c1ccccc1
CC(C)(C)C(=O)NCC(=O)OC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)NCC(=O)OC(c1ccccc1)[*:1]
CC(C)[NH2+]CC/C=C/C(F)(F)F CC(C)[*:1] FC(F)(F)/C=C/CC[NH2+][*:1]
CC(C)[NH2+]CC/C=C/C(F)(F)F FC(F)(F)[*:1] CC(C)[NH2+]CCC=C[*:1]
COC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 COC[*:1] C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
COC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] COC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[*:1]
COC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] COC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1O[*:1]
COC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 COC[C@@H](C)[*:1] C1CCC(C1)O[C@H]1CCCC[C@H]1[NH2+][*:1]
Cc1cccc([C@H](CNCc2ccn(-c3ccccc3)n2)N2CCOCC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)[C@H](CNCc1ccn(n1)[*:1])N1CCOCC1
Cc1cccc([C@H](CNCc2ccn(-c3ccccc3)n2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] c1ccc(cc1)-n1ccc(CNC[C@H](N2CCOCC2)[*:1])n1
Cc1cccc([C@H](CNCc2ccn(-c3ccccc3)n2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@H](CNCc1ccn(n1)-c1ccccc1)[*:1]
O=C(COC(c1ccccc1)c1ccccc1)NC[C@H]1CCC[C@@H]1O c1ccc(cc1)[*:1] O=C(COC(c1ccccc1)[*:1])NC[C@H]1CCC[C@@H]1O
CNC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)N[C@H](C)c1ccc(Cl)s1
CNC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)c1C Clc1ccc(s1)[*:1] CNC(=O)c1cccc(NC(=O)N[C@H](C)[*:1])c1C
CCOC(=O)c1sc(NC(=O)c2cccc3ncccc23)cc1C CCOC(=O)[*:1] Cc1cc(NC(=O)c2cccc3ncccc23)sc1[*:1]
CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cccc(C(N)=O)c1 NC(=O)[*:1] CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccs1
Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1Cl c1csc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC1CC(NC(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)C1 CC1CC(C1)[*:1] O=C(Cc1csc(n1)NC(=O)c1cccc(O)c1)N[*:1]
CC1CC(NC(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)C1 CC1CC(C1)NC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])c1cccc(O)c1
CC1CC(NC(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)C1 Oc1cccc(c1)[*:1] CC1CC(C1)NC(=O)Cc1csc(n1)NC(=O)[*:1]
CCCCOc1ccc(C2=Nc3ncnn3/C2=N\Cc2ccc(C)cc2)cc1 CCCCO[*:1] Cc1ccc(cc1)C/N=C1/C(=Nc2ncnn21)c1ccc(cc1)[*:1]
CCCCOc1ccc(C2=Nc3ncnn3/C2=N\Cc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCCCOc1ccc(cc1)C1=Nc2ncnn2/C1=N\C[*:1]
CCCCOc1ccc(C2=Nc3ncnn3/C2=N\Cc2ccc(C)cc2)cc1 CCC[*:1] Cc1ccc(cc1)C/N=C1/C(=Nc2ncnn21)c1ccc(cc1)OC[*:1]
CCCCOc1ccc(C2=Nc3ncnn3/C2=N\Cc2ccc(C)cc2)cc1 CCCC[*:1] Cc1ccc(cc1)C/N=C1/C(=Nc2ncnn21)c1ccc(cc1)O[*:1]
CCCCOc1ccc(C2=Nc3ncnn3/C2=N\Cc2ccc(C)cc2)cc1 Cc1ccc(cc1)C[*:1] CCCCOc1ccc(cc1)C1=Nc2ncnn2C1=N[*:1]
C[C@H](Nc1c[nH+]ccc1N(C)C)c1ccoc1 c1cc(co1)[*:1] C[C@H](Nc1c[nH+]ccc1N(C)C)[*:1]
C[C@H](Nc1c[nH+]ccc1N(C)C)c1ccoc1 CN(C)[*:1] C[C@H](Nc1c[nH+]ccc1[*:1])c1ccoc1
O=C(CN1CCOCC1)NC1(C#Cc2cncc(C(=O)N3CCCC3)c2)CCCCC1 O=C(CN1CCOCC1)N[*:1] O=C(c1cncc(C#CC2(CCCCC2)[*:1])c1)N1CCCC1
O=C(CN1CCOCC1)NC1(C#Cc2cncc(C(=O)N3CCCC3)c2)CCCCC1 C1CN(CCO1)C[*:1] O=C(c1cncc(C#CC2(CCCCC2)NC(=O)[*:1])c1)N1CCCC1
O=C(CN1CCOCC1)NC1(C#Cc2cncc(C(=O)N3CCCC3)c2)CCCCC1 C1CN(CCO1)[*:1] O=C(C[*:1])NC1(C#Cc2cncc(c2)C(=O)N2CCCC2)CCCCC1
O=C(CN1CCOCC1)NC1(C#Cc2cncc(C(=O)N3CCCC3)c2)CCCCC1 O=C(N1CCCC1)[*:1] O=C(CN1CCOCC1)NC1(C#Cc2cncc(c2)[*:1])CCCCC1
CC(C)C[NH2+]C[C@H]1CCCCN1c1ccc(C(N)=O)nn1 CC(C)C[*:1] NC(=O)c1ccc(nn1)N1CCCC[C@@H]1C[NH2+][*:1]
CC(C)C[NH2+]C[C@H]1CCCCN1c1ccc(C(N)=O)nn1 NC(=O)[*:1] CC(C)C[NH2+]C[C@H]1CCCCN1c1ccc(nn1)[*:1]
CC(C)C[NH2+]C[C@H]1CCCCN1c1ccc(C(N)=O)nn1 CC(C)[*:1] NC(=O)c1ccc(nn1)N1CCCC[C@@H]1C[NH2+]C[*:1]
Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(Cc2ccccc2F)n1N Fc1ccccc1[*:1] Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C[*:1])n1N
Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(Cc2ccccc2F)n1N Fc1ccccc1C[*:1] Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(n1N)[*:1]
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1ccccc1Br O=C([O-])[*:1] O=C(NCc1ccccc1Br)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1[*:1]
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1ccccc1Br Brc1ccccc1[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)NC[*:1]
O=C1CC[C@]2(C(=O)NCCC3CC3)Sc3ccc(Cl)cc3N12 C1CC1C[*:1] O=C1CC[C@@]2(Sc3ccc(Cl)cc3N12)C(=O)NC[*:1]
O=C1CC[C@]2(C(=O)NCCC3CC3)Sc3ccc(Cl)cc3N12 C1CC1CC[*:1] O=C1CC[C@@]2(Sc3ccc(Cl)cc3N12)C(=O)N[*:1]
O=C1CC[C@]2(C(=O)NCCC3CC3)Sc3ccc(Cl)cc3N12 C1CC1[*:1] O=C1CC[C@@]2(Sc3ccc(Cl)cc3N12)C(=O)NCC[*:1]
COC(=O)c1ccc(NC[C@H]2CCCN(c3ncccn3)C2)nn1 COC(=O)[*:1] c1cnc(nc1)N1CCC[C@H](CNc2ccc(nn2)[*:1])C1
COC(=O)c1ccc(NC[C@H]2CCCN(c3ncccn3)C2)nn1 c1cnc(nc1)[*:1] COC(=O)c1ccc(nn1)NC[C@H]1CCCN(C1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)Nc1ccc2nnc(C(F)F)n2n1 CC[C@H](C)NC(=O)[*:1] C[C@H](Nc1ccc2nnc(C(F)F)n2n1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)Nc1ccc2nnc(C(F)F)n2n1 CC[C@H](C)[*:1] C[C@H](Nc1ccc2nnc(C(F)F)n2n1)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)Nc1ccc2nnc(C(F)F)n2n1 FC(F)[*:1] CC[C@H](C)NC(=O)[C@H](C)Nc1ccc2nnc(n2n1)[*:1]
C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1nc(N)c2ccccc2[nH+]1)[*:1]
CCc1nc(CONC(=O)c2cccc(C(F)(F)F)c2)no1 CCc1nc(no1)[*:1] O=C(NOC[*:1])c1cccc(c1)C(F)(F)F
CCc1nc(CONC(=O)c2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] CCc1nc(CONC(=O)c2cccc(c2)[*:1])no1
CN(CCN(C)c1ccccc1)C(=O)NCCc1nnc2n1CCC2 CN(c1ccccc1)[*:1] CN(CC[*:1])C(=O)NCCc1nnc2CCCn21
CN(CCN(C)c1ccccc1)C(=O)NCCc1nnc2n1CCC2 c1ccc(cc1)[*:1] CN(CCN(C)[*:1])C(=O)NCCc1nnc2CCCn21
CN(CCN(C)c1ccccc1)C(=O)NCCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] CN(CCN(C)c1ccccc1)C(=O)NCC[*:1]
N#Cc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 C1CCN(CC1)[*:1] N#Cc1cccc(c1)C(=O)Nc1cc(Cl)ccc1[*:1]
N#Cc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 N#Cc1cccc(c1)[*:1] O=C(Nc1cc(Cl)ccc1N1CCCCC1)[*:1]
C[C@H]1CN(C(=O)c2csc3c2CCCC3)/C(=N/c2ccc(Cl)cc2)S1 Clc1ccc(cc1)[*:1] C[C@H]1CN(C(=O)c2csc3CCCCc23)C(=N[*:1])S1
Cn1ncnc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F Cn1ncnc1C[*:1] C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[*:1]
Cn1ncnc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cn1ncnc1CNC(=O)N(CC[NH+](C)C)C[*:1]
Cn1ncnc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F Cn1ncnc1[*:1] C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC[*:1]
Cc1cc(C)nc(N/C(=N/C(=O)c2cccs2)[N-]CCc2c[nH]c3ccccc23)n1 c1ccc2c(c[nH]c2c1)[*:1] Cc1cc(C)nc(n1)N/C(=N/C(=O)c1cccs1)[N-]CC[*:1]
Cc1cc(C)nc(N/C(=N/C(=O)c2cccs2)[N-]CCc2c[nH]c3ccccc23)n1 c1csc(c1)[*:1] Cc1cc(C)nc(n1)N/C(=N/C(=O)[*:1])[N-]CCc1c[nH]c2ccccc12
Cc1cc(C)nc(N/C(=N/C(=O)c2cccs2)[N-]CCc2c[nH]c3ccccc23)n1 c1ccc2c(c[nH]c2c1)C[*:1] Cc1cc(C)nc(n1)N/C(=N/C(=O)c1cccs1)[N-]C[*:1]
Cc1cc(C)nc(N/C(=N/C(=O)c2cccs2)[N-]CCc2c[nH]c3ccccc23)n1 Cc1cc(C)nc(n1)[*:1] O=C(/N=C(\[N-]CCc1c[nH]c2ccccc12)N[*:1])c1cccs1
C[C@@H](CN1CCOCC1)NC(=O)c1ccc(Br)cc1 C1CN(CCO1)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(Br)cc1
Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(Cc4ccccc4)CC3)N2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(N2)N2CCN(CC2)C[*:1])c(C)c1
Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(Cc4ccccc4)CC3)N2)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(N2)N2CCN(CC2)[*:1])c(C)c1
Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(Cc4ccccc4)CC3)N2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1C[C@@H](NC(=N1)N1CCN(CC1)Cc1ccccc1)C(=O)N[*:1]
O=C(NCCn1cccc1)c1cc(-c2ccncc2)nc2ccccc12 c1ccn(c1)C[*:1] O=C(NC[*:1])c1cc(nc2ccccc12)-c1ccncc1
O=C(NCCn1cccc1)c1cc(-c2ccncc2)nc2ccccc12 c1ccn(c1)CC[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccncc1
O=C(NCCn1cccc1)c1cc(-c2ccncc2)nc2ccccc12 c1cc(ccn1)[*:1] O=C(NCCn1cccc1)c1cc(nc2ccccc12)[*:1]
O=C(NCCn1cccc1)c1cc(-c2ccncc2)nc2ccccc12 c1ccn(c1)[*:1] O=C(NCC[*:1])c1cc(nc2ccccc12)-c1ccncc1
Cc1nc(COc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cs1 c1coc(c1)[*:1] Cc1nc(cs1)COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1nc(COc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cs1 Cc1nc(cs1)CO[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)C(=O)c1ccco1
Cc1nc(COc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cs1 Cc1nc(cs1)C[*:1] O=C(c1ccc(cc1)O[*:1])N1CCN(CC1)C(=O)c1ccco1
Cc1nc(COc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cs1 Cc1nc(cs1)[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCN(CC1)C(=O)c1ccco1
C[C@@H](CSc1ccccc1)C(=O)Nc1ccc([S@](C)=O)cc1 c1ccc(cc1)S[*:1] C[C@@H](C[*:1])C(=O)Nc1ccc(cc1)[S@](C)=O
C[C@@H](CSc1ccccc1)C(=O)Nc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](CSc1ccccc1)C(=O)Nc1ccc([S@](C)=O)cc1 c1ccc(cc1)[*:1] C[C@@H](CS[*:1])C(=O)Nc1ccc(cc1)[S@](C)=O
C[C@H]1C[NH+](CC(=O)Nc2ccccc2C(N)=O)C[C@H](C)S1 NC(=O)[*:1] C[C@H]1C[NH+](CC(=O)Nc2ccccc2[*:1])C[C@H](C)S1
CCCc1nc(CS(=O)(=O)Cc2coc(-c3cccc(Cl)c3)n2)cs1 CCCc1nc(cs1)[*:1] O=S(=O)(Cc1coc(n1)-c1cccc(Cl)c1)C[*:1]
CCCc1nc(CS(=O)(=O)Cc2coc(-c3cccc(Cl)c3)n2)cs1 CCC[*:1] O=S(=O)(Cc1coc(n1)-c1cccc(Cl)c1)Cc1csc(n1)[*:1]
CCCc1nc(CS(=O)(=O)Cc2coc(-c3cccc(Cl)c3)n2)cs1 Clc1cccc(c1)[*:1] CCCc1nc(cs1)CS(=O)(=O)Cc1coc(n1)[*:1]
COc1ccc(/C=C/C(=O)OC[C@H]2CCCO2)cc1OC C1CO[C@H](C1)[*:1] COc1ccc(/C=C/C(=O)OC[*:1])cc1OC
COc1ccc(/C=C/C(=O)OC[C@H]2CCCO2)cc1OC C1CO[C@H](C1)C[*:1] COc1ccc(/C=C/C(=O)O[*:1])cc1OC
Cc1ccc([C@@H](C)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(OCC(=O)N[C@H](C)[*:1])c2C(=O)C[C@@H](C)c12
COC(=O)c1ccc([C@H](c2nnc(C(C)C)o2)C(C)(C)C)cc1 CC(C)[*:1] COC(=O)c1ccc(cc1)[C@H](c1nnc(o1)[*:1])C(C)(C)C
COC(=O)c1ccc([C@H](c2nnc(C(C)C)o2)C(C)(C)C)cc1 CC(C)(C)[*:1] COC(=O)c1ccc(cc1)[C@H](c1nnc(o1)C(C)C)[*:1]
COC(=O)c1ccc([C@H](c2nnc(C(C)C)o2)C(C)(C)C)cc1 COC(=O)[*:1] CC(C)c1nnc(o1)[C@@H](c1ccc(cc1)[*:1])C(C)(C)C
O=C(c1ccccc1)N1CCc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2C1 c1ccc(cc1)[*:1] O=C(N1CCc2ccc(cc2C1)NS(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
O=C(c1ccccc1)N1CCc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2C1 FC(F)(F)[*:1] O=C(c1ccccc1)N1CCc2ccc(cc2C1)NS(=O)(=O)c1cccc(c1)[*:1]
O=C(c1ccccc1)N1CCc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2C1 FC(F)(F)c1cccc(c1)[*:1] O=C(c1ccccc1)N1CCc2ccc(cc2C1)NS(=O)(=O)[*:1]
CCC(CC)C(=O)CC(F)(F)F FC(F)(F)[*:1] CCC(CC)C(=O)C[*:1]
C[C@@H](NC(=O)CCc1cccc(F)c1)c1ccc2c(c1)CCC(=O)N2 Fc1cccc(c1)C[*:1] C[C@@H](NC(=O)C[*:1])c1ccc2NC(=O)CCc2c1
C[C@@H](NC(=O)CCc1cccc(F)c1)c1ccc2c(c1)CCC(=O)N2 Fc1cccc(c1)[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc2NC(=O)CCc2c1
CC(C)Cn1c(CCC(N)=O)nn(CN2C[C@H](C)O[C@H](C)C2)c1=S NC(=O)C[*:1] CC(C)Cn1c(C[*:1])nn(CN2C[C@H](C)O[C@H](C)C2)c1=S
CC(C)Cn1c(CCC(N)=O)nn(CN2C[C@H](C)O[C@H](C)C2)c1=S NC(=O)[*:1] CC(C)Cn1c(CC[*:1])nn(CN2C[C@H](C)O[C@H](C)C2)c1=S
CC(C)Cn1c(CCC(N)=O)nn(CN2C[C@H](C)O[C@H](C)C2)c1=S CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)Cn1nc(CCC(N)=O)n(C[*:1])c1=S
CC(C)Cn1c(CCC(N)=O)nn(CN2C[C@H](C)O[C@H](C)C2)c1=S NC(=O)CC[*:1] CC(C)Cn1c(nn(CN2C[C@H](C)O[C@H](C)C2)c1=S)[*:1]
CC(C)Cn1c(CCC(N)=O)nn(CN2C[C@H](C)O[C@H](C)C2)c1=S CC(C)C[*:1] C[C@H]1CN(C[C@@H](C)O1)Cn1nc(CCC(N)=O)n(c1=S)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2ccc(OC)cc2Cl)C1 COC(=O)[*:1] COc1ccc(CC(=O)N2CCC[C@@H](C2)C(C)(C)[*:1])c(Cl)c1
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2ccc(OC)cc2Cl)C1 COC(=O)C(C)(C)[*:1] COc1ccc(CC(=O)N2CCC[C@@H](C2)[*:1])c(Cl)c1
Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)Nc3cccc(C#N)c3)c12 FC(F)(F)c1ccccc1[*:1] Cc1noc2nc(cc(C(=O)Nc3cccc(C#N)c3)c12)[*:1]
Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)Nc3cccc(C#N)c3)c12 N#Cc1cccc(c1)[*:1] Cc1noc2nc(cc(C(=O)N[*:1])c12)-c1ccccc1C(F)(F)F
Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)Nc3cccc(C#N)c3)c12 FC(F)(F)[*:1] Cc1noc2nc(cc(C(=O)Nc3cccc(C#N)c3)c12)-c1ccccc1[*:1]
Cc1ccc(SC/C=C/Cl)c(N)c1 ClC=C[*:1] Cc1ccc(SC[*:1])c(N)c1
Cc1ccc(SC/C=C/Cl)c(N)c1 Cl/C=C/C[*:1] Cc1ccc(S[*:1])c(N)c1
Cc1cnc2c(c1)nc(CCCl)n2[C@@H](C)C1CC1 C1CC1[*:1] Cc1cnc2c(c1)nc(CCCl)n2[C@@H](C)[*:1]
Cc1cnc2c(c1)nc(CCCl)n2[C@@H](C)C1CC1 ClCC[*:1] Cc1cnc2c(c1)nc(n2[C@@H](C)C1CC1)[*:1]
Cc1cnc2c(c1)nc(CCCl)n2[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] Cc1cnc2c(c1)nc(CCCl)n2[*:1]
COCCNC(=S)Nc1ccc(Br)c(C)c1 COCC[*:1] Cc1cc(ccc1Br)NC(=S)N[*:1]
COCCNC(=S)Nc1ccc(Br)c(C)c1 COC[*:1] Cc1cc(ccc1Br)NC(=S)NC[*:1]
O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1ccc2oc(nc2c1)C1CC1)N1CCC[C@H](C1)[*:1]
O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCC[C@H](C(F)(F)F)C1 C1CC1[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])N1CCC[C@@H](C1)C(F)(F)F
Cc1c(NS(=O)(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NS(=O)(=O)c2ccc(c(c2)[N+](=O)[O-])N2C[C@@H](C)C[C@H](C)C2)c(=O)n(n1C)[*:1]
Cc1c(NS(=O)(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C O=[N+]([O-])[*:1] Cc1c(NS(=O)(=O)c2ccc(c(c2)[*:1])N2C[C@@H](C)C[C@H](C)C2)c(=O)n(-c2ccccc2)n1C
CCN(CC)C(=O)c1ccc(NC(=O)Cc2c(C)noc2C)cc1 CCN(CC)C(=O)[*:1] Cc1noc(C)c1CC(=O)Nc1ccc(cc1)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)Cc2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)C[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)Cc2c(C)noc2C)cc1 Cc1noc(C)c1C[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(N[C@@H]1CCOC2(CCCC2)C1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(N[C@@H]1CCOC2(CCCC2)C1)N[C@@H]1CCCC[C@H]1[*:1]
O=C(N[C@@H]1CCOC2(CCCC2)C1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(N[C@@H]1CCOC2(CCCC2)C1)N[C@@H]1CCCC[C@@H]1O[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1 CC(C)[*:1] C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1 CC(C)O[*:1] C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccc(cc1)[*:1]
C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2ccccc21 C#CC[*:1] O=C(/N=c1\sc2ccccc2n1[*:1])c1ccc(s1)[N+](=O)[O-]
C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2ccccc21 O=[N+]([O-])[*:1] C#CCn1/c(=N/C(=O)c2ccc(s2)[*:1])sc2ccccc21
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2[nH]ncc2c1 CC(C)C[*:1] C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc2[nH]ncc2c1)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2[nH]ncc2c1 CC(C)[*:1] C[NH+](C)C[C@H](C[*:1])NC(=O)C(=O)Nc1ccc2[nH]ncc2c1
COc1ccccc1OCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 COc1ccccc1[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(cc1)CO[*:1]
COC[C@H](C)C[NH2+][C@@H](C)C[C@@H]1CCCC[NH2+]1 COC[C@H](C)[*:1] C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]C[*:1]
COC[C@H](C)C[NH2+][C@@H](C)C[C@@H]1CCCC[NH2+]1 COC[*:1] C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]C[C@@H](C)[*:1]
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)cc1OC O=C(c1ccccc1)[*:1] COc1ccc(cc1OC)[C@H]1C(=C([O-])C(=O)N1Cc1ccccc1)[*:1]
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccccc1
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1[*:1])c1ccccc1
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1C[*:1]
CC(C)c1nnnn1CC(=O)N1CCCCC[C@H]1c1ccncc1 CC(C)c1nnnn1[*:1] O=C(C[*:1])N1CCCCC[C@H]1c1ccncc1
CC(C)c1nnnn1CC(=O)N1CCCCC[C@H]1c1ccncc1 CC(C)[*:1] O=C(Cn1nnnc1[*:1])N1CCCCC[C@H]1c1ccncc1
CC(C)c1nnnn1CC(=O)N1CCCCC[C@H]1c1ccncc1 c1cc(ccn1)[*:1] CC(C)c1nnnn1CC(=O)N1CCCCC[C@@H]1[*:1]
CC(C)n1c(=O)oc2cc(S(=O)(=O)NC[C@H]3Cc4ccccc4O3)ccc21 CC(C)[*:1] O=c1oc2cc(ccc2n1[*:1])S(=O)(=O)NC[C@H]1Cc2ccccc2O1
CC(C)n1c(=O)oc2cc(S(=O)(=O)NC[C@H]3Cc4ccccc4O3)ccc21 c1ccc2O[C@H](Cc2c1)[*:1] CC(C)n1c(=O)oc2cc(ccc21)S(=O)(=O)NC[*:1]
C=CCOc1cccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 C=CC[*:1] Cc1ccc(C)c(c1)NC(=O)/C(C#N)=C/c1cccc(c1)O[*:1]
C=CCOc1cccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 C=CCO[*:1] Cc1ccc(C)c(c1)NC(=O)/C(C#N)=C/c1cccc(c1)[*:1]
C=CCOc1cccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 Cc1ccc(C)c(c1)[*:1] C=CCOc1cccc(/C=C(\C#N)C(=O)N[*:1])c1
C[C@H]1CN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](O1)[*:1])C(=O)NCCCn1nc2CCCCn2c1=O
Cc1cc(NC(=O)N[C@@H](C)CN2CCOCC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)N[C@@H](C)CN2CCOCC2)n(n1)[*:1]
Cc1cc(NC(=O)N[C@@H](C)CN2CCOCC2)n(-c2ccccc2)n1 C1CN(CCO1)C[*:1] Cc1cc(NC(=O)N[C@@H](C)[*:1])n(n1)-c1ccccc1
Cc1cc(NC(=O)N[C@@H](C)CN2CCOCC2)n(-c2ccccc2)n1 C1CN(CCO1)[*:1] Cc1cc(NC(=O)N[C@@H](C)C[*:1])n(n1)-c1ccccc1
CC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1 CC(C)[*:1] O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)CCNS(=O)(=O)[*:1]
Cc1cc(NC[C@@H](O)COc2ccc(F)c(F)c2)n2c(nc3ccccc32)c1C#N Fc1ccc(cc1F)[*:1] Cc1cc(NC[C@@H](O)CO[*:1])n2c(nc3ccccc32)c1C#N
Cc1cc(NC[C@@H](O)COc2ccc(F)c(F)c2)n2c(nc3ccccc32)c1C#N Fc1ccc(cc1F)OC[*:1] Cc1cc(NC[C@@H](O)[*:1])n2c(nc3ccccc32)c1C#N
Cc1cc(NC[C@@H](O)COc2ccc(F)c(F)c2)n2c(nc3ccccc32)c1C#N Fc1ccc(cc1F)O[*:1] Cc1cc(NC[C@@H](O)C[*:1])n2c(nc3ccccc32)c1C#N
O=C(c1ccc2[nH]c(=S)oc2c1)N1CCC[C@@H](c2ncc[nH]2)C1 c1c[nH]c(n1)[*:1] O=C(c1ccc2[nH]c(=S)oc2c1)N1CCC[C@@H](C1)[*:1]
COC(=O)[C@@]1(N)CCC[C@@H]1CCn1cccn1 COC(=O)[*:1] N[C@]1(CCC[C@@H]1CCn1cccn1)[*:1]
COC(=O)[C@@]1(N)CCC[C@@H]1CCn1cccn1 c1cnn(c1)[*:1] COC(=O)[C@@]1(N)CCC[C@@H]1CC[*:1]
C[C@H](Cn1ccnc1)NS(=O)(=O)c1ccc(Br)cc1 c1cn(cn1)C[*:1] C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[*:1]
C[C@H](Cn1ccnc1)NS(=O)(=O)c1ccc(Br)cc1 c1cn(cn1)[*:1] C[C@H](C[*:1])NS(=O)(=O)c1ccc(Br)cc1
O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(Cn1nc(ccc1=O)N1CCOCC1)N[*:1]
O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1ccccn1 C1CN(CCO1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1ccccn1
CN1C(=O)c2ccccc2[C@H](C(=O)N2CCc3ccccc3C2)[C@@H]1c1cccs1 c1csc(c1)[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)N2CCc3ccccc3C2)[C@H]1[*:1]
CC(=O)Nc1ccc(/C([O-])=N/S(=O)(=O)CCCF)cc1 FCCC[*:1] CC(=O)Nc1ccc(cc1)/C([O-])=N/S(=O)(=O)[*:1]
CC(=O)Nc1ccc(/C([O-])=N/S(=O)(=O)CCCF)cc1 FCC[*:1] CC(=O)Nc1ccc(cc1)/C([O-])=N/S(=O)(=O)C[*:1]
CC(=O)Nc1ccc(/C([O-])=N/S(=O)(=O)CCCF)cc1 CC(=O)N[*:1] O=S(=O)(CCCF)/N=C(\[O-])c1ccc(cc1)[*:1]
N#Cc1cccnc1N1CCN(C(=O)NCCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)NCC[*:1]
N#Cc1cccnc1N1CCN(C(=O)NCCOc2ccccc2)CC1 c1ccc(cc1)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)NCCO[*:1]
N#Cc1cccnc1N1CCN(C(=O)NCCOc2ccccc2)CC1 c1ccc(cc1)OC[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)NC[*:1]
N#Cc1cccnc1N1CCN(C(=O)NCCOc2ccccc2)CC1 N#Cc1cccnc1[*:1] O=C(NCCOc1ccccc1)N1CCN(CC1)[*:1]
Nc1nc(CSc2nnc(-c3ccccc3)o2)nc2ccccc12 c1ccc(cc1)[*:1] Nc1nc(CSc2nnc(o2)[*:1])nc2ccccc12
O=C(Cn1ncc2ccccc2c1=O)Oc1ccc(N2CCCC2)cc1 C1CCN(C1)[*:1] O=C(Cn1ncc2ccccc2c1=O)Oc1ccc(cc1)[*:1]
COCc1nc(C)cc(N2CCC[C@@H]2Cc2ccccc2Cl)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N1CCC[C@@H]1Cc1ccccc1Cl
COCc1nc(C)cc(N2CCC[C@@H]2Cc2ccccc2Cl)n1 Clc1ccccc1[*:1] COCc1nc(C)cc(n1)N1CCC[C@@H]1C[*:1]
COc1ccc(-n2c(C)nnc2SCC(=O)[O-])cc1F O=C([O-])C[*:1] COc1ccc(cc1F)-n1c(C)nnc1S[*:1]
COc1ccc(-n2c(C)nnc2SCC(=O)[O-])cc1F O=C([O-])[*:1] COc1ccc(cc1F)-n1c(C)nnc1SC[*:1]
COc1ccc(-n2c(C)nnc2SCC(=O)[O-])cc1F O=C([O-])CS[*:1] COc1ccc(cc1F)-n1c(C)nnc1[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)NCC(=O)NC1CC1 C1CC1[*:1] CS[C@H]1CCC[C@@H]1NC(=O)NCC(=O)N[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)NCC(=O)NC1CC1 O=C(NC1CC1)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)NC[*:1]
CCc1onc(C)c1NC(=O)c1cccc(OCc2cccs2)c1 c1csc(c1)CO[*:1] CCc1onc(C)c1NC(=O)c1cccc(c1)[*:1]
CCc1onc(C)c1NC(=O)c1cccc(OCc2cccs2)c1 c1csc(c1)C[*:1] CCc1onc(C)c1NC(=O)c1cccc(c1)O[*:1]
CCc1onc(C)c1NC(=O)c1cccc(OCc2cccs2)c1 CCc1onc(C)c1[*:1] O=C(N[*:1])c1cccc(c1)OCc1cccs1
CCc1onc(C)c1NC(=O)c1cccc(OCc2cccs2)c1 c1csc(c1)[*:1] CCc1onc(C)c1NC(=O)c1cccc(c1)OC[*:1]
O=C(Nc1cc(Cl)ccc1N1CCOCC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 C1CN(CCO1)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])[C@H]1CC(=O)N(C1)c1cccc(Cl)c1
O=C(Nc1cc(Cl)ccc1N1CCOCC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(Nc1cc(Cl)ccc1N1CCOCC1)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H](c1ccccn1)N(C(=O)c1cccc(OCc2cccnc2)c1)C1CC1 c1cncc(c1)CO[*:1] C[C@@H](c1ccccn1)N(C(=O)c1cccc(c1)[*:1])C1CC1
C[C@@H](c1ccccn1)N(C(=O)c1cccc(OCc2cccnc2)c1)C1CC1 c1ccc(nc1)[*:1] C[C@@H](N(C(=O)c1cccc(c1)OCc1cccnc1)C1CC1)[*:1]
C[C@@H](c1ccccn1)N(C(=O)c1cccc(OCc2cccnc2)c1)C1CC1 c1cncc(c1)[*:1] C[C@@H](c1ccccn1)N(C(=O)c1cccc(c1)OC[*:1])C1CC1
C[C@@H](c1ccccn1)N(C(=O)c1cccc(OCc2cccnc2)c1)C1CC1 C1CC1[*:1] C[C@@H](c1ccccn1)N(C(=O)c1cccc(c1)OCc1cccnc1)[*:1]
C[C@@H](c1ccccn1)N(C(=O)c1cccc(OCc2cccnc2)c1)C1CC1 c1cncc(c1)C[*:1] C[C@@H](c1ccccn1)N(C(=O)c1cccc(c1)O[*:1])C1CC1
COC(=O)[C@H]1CN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@@H]1[*:1])C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]
COC(=O)[C@H]1CN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C[C@H]1C O=C([O-])[*:1] COC(=O)[C@H]1CN(C[C@H]1C)C(=O)[C@@H]1CC=CC[C@H]1[*:1]
CCN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(CC(=O)Nc1cccc(c1)C(=O)N(C)C)[*:1]
CCN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1cccc(F)c1 CN(C)C(=O)[*:1] CCN(CC(=O)Nc1cccc(c1)[*:1])c1cccc(F)c1
CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1OC CCC(=O)N[*:1] COc1cc(ccc1[*:1])S(=O)(=O)Nc1cccc(C)c1
CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1OC Cc1cccc(c1)[*:1] CCC(=O)Nc1ccc(cc1OC)S(=O)(=O)N[*:1]
CNS(=O)(=O)c1ccc(N[C@H]2CSCCC2(C)C)cc1 CNS(=O)(=O)[*:1] CC1(C)CCSC[C@@H]1Nc1ccc(cc1)[*:1]
Cc1cccc(-c2nc(CC(=O)OCC(=O)NC(C)C)cs2)c1 CC(C)NC(=O)C[*:1] Cc1cccc(c1)-c1nc(cs1)CC(=O)O[*:1]
Cc1cccc(-c2nc(CC(=O)OCC(=O)NC(C)C)cs2)c1 Cc1cccc(c1)[*:1] CC(C)NC(=O)COC(=O)Cc1csc(n1)[*:1]
Cc1cccc(-c2nc(CC(=O)OCC(=O)NC(C)C)cs2)c1 CC(C)[*:1] Cc1cccc(c1)-c1nc(cs1)CC(=O)OCC(=O)N[*:1]
Cc1cccc(-c2nc(CC(=O)OCC(=O)NC(C)C)cs2)c1 CC(C)NC(=O)[*:1] Cc1cccc(c1)-c1nc(cs1)CC(=O)OC[*:1]
C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H](C)OCc3ccccc3)CC2)S1 c1ccc(cc1)CO[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)[C@@H](C)[*:1]
C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H](C)OCc3ccccc3)CC2)S1 c1ccc(cc1)[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)[C@@H](C)OC[*:1]
C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H](C)OCc3ccccc3)CC2)S1 c1ccc(cc1)C[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)[C@@H](C)O[*:1]
CC(C)CN(C(=O)COc1ccc2cc(Br)ccc2c1)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=C(COc1ccc2cc(Br)ccc2c1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)CN(C(=O)COc1ccc2cc(Br)ccc2c1)[C@H]1CCS(=O)(=O)C1 CC(C)C[*:1] O=C(COc1ccc2cc(Br)ccc2c1)N([C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccccc1[C@@H](CNC(=O)[C@H]1Cc2ccccc2S1)[NH+]1CCCC1 COc1ccccc1[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])[C@H]1Cc2ccccc2S1
COc1ccccc1[C@@H](CNC(=O)[C@H]1Cc2ccccc2S1)[NH+]1CCCC1 c1ccc2S[C@H](Cc2c1)[*:1] COc1ccccc1[C@@H](CNC(=O)[*:1])[NH+]1CCCC1
C[C@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccco2)[C@@H]1C c1coc(c1)[*:1] C[C@H]1CCC[C@H](NC(=O)CCNC(=O)[*:1])[C@@H]1C
C[NH2+]C[C@H](C)C(=O)N1CCC(C(C)(C)C)CC1 CC(C)(C)[*:1] C[NH2+]C[C@H](C)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(-c2nc(CNC(=O)c3cccc(C)c3)cs2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)-c1nc(cs1)CNC(=O)[*:1]
Cc1ccc(-c2nc(CNC(=O)c3cccc(C)c3)cs2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NCc1csc(n1)[*:1]
c1ccc(-c2nc(SCc3cn4cccnc4n3)oc2-c2ccccc2)cc1 c1cnc2nc(cn2c1)[*:1] c1ccc(cc1)-c1nc(oc1-c1ccccc1)SC[*:1]
c1ccc(-c2nc(SCc3cn4cccnc4n3)oc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1oc(nc1[*:1])SCc1cn2cccnc2n1
c1ccc(-c2nc(SCc3cn4cccnc4n3)oc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nc(oc1[*:1])SCc1cn2cccnc2n1
C[NH2+][C@H](c1cc2c(s1)CCCCC2)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] C[NH2+][C@H](c1cc2CCCCCc2s1)[C@@H](C)[*:1]
C[C@H]1C[C@@H](C)CN(/C=C(\Br)C(=O)C(F)(F)F)C1 FC(F)(F)[*:1] C[C@H]1C[C@@H](C)CN(/C=C(\Br)C(=O)[*:1])C1
Cc1cccc(N[C@H](C)C(=O)NC(=O)NCc2cccs2)c1C c1csc(c1)C[*:1] Cc1cccc(N[C@H](C)C(=O)NC(=O)N[*:1])c1C
Cc1cccc(N[C@H](C)C(=O)NC(=O)NCc2cccs2)c1C c1csc(c1)[*:1] Cc1cccc(N[C@H](C)C(=O)NC(=O)NC[*:1])c1C
O=C(Cc1cnc2ccccn12)N1CCC[C@H](CCc2ccc(F)cc2)C1 c1ccn2c(cnc2c1)[*:1] O=C(C[*:1])N1CCC[C@H](CCc2ccc(F)cc2)C1
O=C(Cc1cnc2ccccn12)N1CCC[C@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] O=C(Cc1cnc2ccccn12)N1CCC[C@@H](C1)C[*:1]
O=C(Cc1cnc2ccccn12)N1CCC[C@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Cc1cnc2ccccn12)N1CCC[C@H](CC[*:1])C1
O=C(Cc1cnc2ccccn12)N1CCC[C@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)CC[*:1] O=C(Cc1cnc2ccccn12)N1CCC[C@H](C1)[*:1]
O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1CC=CCC1 Clc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1CC=CCC1
O=C(OCc1nncn1C1CC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F c1nnc(n1C1CC1)[*:1] O=C(OC[*:1])[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
O=C(OCc1nncn1C1CC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(OCc1nncn1C1CC1)[C@H]1C[C@@H]1c1ccccc1[*:1]
O=C(OCc1nncn1C1CC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F C1CC1[*:1] O=C(OCc1nncn1[*:1])[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
Cc1ccccc1[C@H](C)NC(=O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1 O=C(C[*:1])N1CCCCC1 Cc1ccccc1[C@H](C)NC(=O)C[NH+]1CCN(CC1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1 Cc1ccccc1[*:1] C[C@H](NC(=O)C[NH+]1CCN(CC1)CC(=O)N1CCCCC1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1 Cc1ccccc1[C@H](C)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N1CCCCC1)N[*:1]
Cc1ccccc1[C@H](C)NC(=O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] Cc1ccccc1[C@H](C)NC(=O)C[NH+]1CCN(CC1)C[*:1]
Cc1cc(-n2c(C)cc(C(=O)CN3CCO[C@H](C(N)=O)C3)c2C)no1 NC(=O)[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)CN2CCO[C@H](C2)[*:1])c1C
Cc1cc(-n2c(C)cc(C(=O)CN3CCO[C@H](C(N)=O)C3)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)CN2CCO[C@@H](C2)C(N)=O)c(C)n1[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1
COC(=O)C[C@@H]1Oc2ccccc2N(Cc2cncnc2)C1=O COC(=O)C[*:1] O=C1[C@@H](Oc2ccccc2N1Cc1cncnc1)[*:1]
COC(=O)C[C@@H]1Oc2ccccc2N(Cc2cncnc2)C1=O COC(=O)[*:1] O=C1[C@H](C[*:1])Oc2ccccc2N1Cc1cncnc1
COC(=O)C[C@@H]1Oc2ccccc2N(Cc2cncnc2)C1=O c1ncc(cn1)C[*:1] COC(=O)C[C@@H]1Oc2ccccc2N(C1=O)[*:1]
COC(=O)C[C@@H]1Oc2ccccc2N(Cc2cncnc2)C1=O c1ncc(cn1)[*:1] COC(=O)C[C@@H]1Oc2ccccc2N(C[*:1])C1=O
O=C(CNc1cnc2sccn2c1=O)Nc1nccs1 c1csc(n1)[*:1] O=C(CNc1cnc2sccn2c1=O)N[*:1]
C[C@@H](CC(=O)[O-])NC(=O)c1ccc(O)cc1 O=C([O-])C[*:1] C[C@@H](NC(=O)c1ccc(O)cc1)[*:1]
C[C@@H](CC(=O)[O-])NC(=O)c1ccc(O)cc1 O=C([O-])[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(O)cc1
CC1(C)C(=O)NC(=O)N1CC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 CC1(C)C(=O)NC(=O)N1[*:1] O=C(C[*:1])N1CCCCC[C@@H]1/C=C/c1ccccc1
CC1(C)C(=O)NC(=O)N1CC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 CC1(C)C(=O)NC(=O)N1CC(=O)N1CCCCC[C@H]1[*:1]
CC1(C)C(=O)NC(=O)N1CC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 c1ccc(cc1)[*:1] CC1(C)C(=O)NC(=O)N1CC(=O)N1CCCCC[C@@H]1C=C[*:1]
NC(=O)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c23)CCC4)CC[NH2+]1 NC(=O)[*:1] c1cncc(c1)-c1nc(c2c3CCCc3sc2n1)N1CC[NH2+][C@@H](C1)[*:1]
NC(=O)[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c23)CCC4)CC[NH2+]1 c1cncc(c1)[*:1] NC(=O)[C@@H]1CN(CC[NH2+]1)c1nc(nc2sc3CCCc3c12)[*:1]
N#C/C(C(=O)NC1CC1)=C(/[O-])C1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] N#C/C(C(=O)NC1CC1)=C(/[O-])C1CCN(CC1)[*:1]
N#C/C(C(=O)NC1CC1)=C(/[O-])C1CCN(c2ccc(Cl)cn2)CC1 C1CC1[*:1] N#C/C(C(=O)N[*:1])=C(/[O-])C1CCN(CC1)c1ccc(Cl)cn1
N#C/C(C(=O)NC1CC1)=C(/[O-])C1CCN(c2ccc(Cl)cn2)CC1 O=C(NC1CC1)[*:1] N#CC(=C([O-])C1CCN(CC1)c1ccc(Cl)cn1)[*:1]
C=CCNC(=S)Nc1sc2c(c1C#N)CCCC2 C=CC[*:1] N#Cc1c(NC(=S)N[*:1])sc2CCCCc21
CN(Cc1n[nH]c2c1CCC2)c1nc(-c2ccncc2)nc2c1cnn2C c1cc(ccn1)[*:1] CN(Cc1n[nH]c2CCCc12)c1nc(nc2c1cnn2C)[*:1]
CN(Cc1n[nH]c2c1CCC2)c1nc(-c2ccncc2)nc2c1cnn2C C1Cc2[nH]nc(c2C1)[*:1] CN(C[*:1])c1nc(nc2c1cnn2C)-c1ccncc1
CN(Cc1n[nH]c2c1CCC2)c1nc(-c2ccncc2)nc2c1cnn2C C1Cc2[nH]nc(C[*:1])c2C1 CN(c1nc(nc2c1cnn2C)-c1ccncc1)[*:1]
Cn1cc(Br)cc1C(=O)NNC(=O)Cc1cccc(F)c1 Cn1cc(Br)cc1[*:1] O=C(Cc1cccc(F)c1)NNC(=O)[*:1]
Cn1cc(Br)cc1C(=O)NNC(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1cc(Br)cc1C(=O)NNC(=O)C[*:1]
CC(C)CN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccccc1C1CC1 C1CC1[*:1] CC(C)CN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccccc1[*:1]
CC(C)CN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccccc1C1CC1 CC(C)[*:1] [NH3+][C@@H]1CC(=O)N(C[*:1])[C@@H]1c1ccccc1C1CC1
CC(C)CN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccccc1C1CC1 CC(C)C[*:1] [NH3+][C@@H]1CC(=O)N([C@@H]1c1ccccc1C1CC1)[*:1]
CC1CCN(C(=O)C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)CC1 O=C(C[*:1])N1CCCC1 CC1CCN(CC1)C(=O)C(=O)Nc1ccc(cc1)C[*:1]
CC1CCN(C(=O)C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)CC1 O=C(CC[*:1])N1CCCC1 CC1CCN(CC1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CC1CCN(C(=O)C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)CC1 O=C(N1CCCC1)[*:1] CC1CCN(CC1)C(=O)C(=O)Nc1ccc(cc1)CC[*:1]
Cc1nc2cc(NC(=O)C(=O)NCCCN3CCOCC3)ccc2o1 C1CN(CCO1)CC[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NC[*:1]
Cc1nc2cc(NC(=O)C(=O)NCCCN3CCOCC3)ccc2o1 C1CN(CCO1)C[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NCC[*:1]
Cc1nc2cc(NC(=O)C(=O)NCCCN3CCOCC3)ccc2o1 C1CN(CCO1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NCCC[*:1]
CC(C)Cc1ccc2c(c1)[C@@H](Cl)CC2 CC(C)C[*:1] Cl[C@H]1CCc2ccc(cc21)[*:1]
CC(C)Cc1ccc2c(c1)[C@@H](Cl)CC2 CC(C)[*:1] Cl[C@H]1CCc2ccc(cc21)C[*:1]
Cc1ccc(CCNC(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)NC[*:1]
Cc1ccc(CCNC(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1 Cc1ccc(cc1)CC[*:1] O=C(CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)N[*:1]
Cc1ccc(CCNC(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)CCNC(=O)CCn1cnc2onc(c2c1=O)[*:1]
Cc1ccc(CCNC(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O)NCC[*:1]
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2F)[nH]1 Fc1ccc(c(F)c1)[*:1] Cc1ccccc1-c1nnc([nH]1)SCC(=O)N[*:1]
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2F)[nH]1 Cc1ccccc1[*:1] O=C(CSc1nnc([nH]1)[*:1])Nc1ccc(F)cc1F
N#Cc1ccc(OC[C@H](O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O[C@@H](CO[*:1])CN1CC[NH+](CC1)C[C@@H]1CCCO1
N#Cc1ccc(OC[C@H](O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 C1CO[C@@H](C1)[*:1] N#Cc1ccc(cc1)OC[C@H](O)CN1CC[NH+](CC1)C[*:1]
C/[NH+]=C(\NCc1cc[nH+]c(N(C)C)c1)NC[C@H]1Cc2ccccc2O1 CN(C)[*:1] C/[NH+]=C(\NCc1cc[nH+]c(c1)[*:1])NC[C@H]1Cc2ccccc2O1
Cc1cc(-c2cc(C(=O)N[C@H](C)c3c(C)noc3C)c3c(C)noc3n2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)c1cc(nc2onc(C)c12)[*:1]
Cc1cc(-c2cc(C(=O)N[C@H](C)c3c(C)noc3C)c3c(C)noc3n2)c(C)o1 Cc1noc(C)c1[*:1] Cc1cc(-c2cc(C(=O)N[C@H](C)[*:1])c3c(C)noc3n2)c(C)o1
CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cnccn1 Clc1ccc(cc1)[*:1] CCn1c(nnc1-c1cnccn1)SCC(=O)[*:1]
CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cnccn1 c1cnc(cn1)[*:1] CCn1c(nnc1[*:1])SCC(=O)c1ccc(Cl)cc1
C[C@@H](Cn1cc(Br)cn1)N[C@@H]1CCN(C2CCCCC2)C1=O Brc1cnn(c1)C[*:1] C[C@@H](N[C@@H]1CCN(C1=O)C1CCCCC1)[*:1]
C[C@@H](Cn1cc(Br)cn1)N[C@@H]1CCN(C2CCCCC2)C1=O C1CCC(CC1)[*:1] C[C@@H](Cn1cc(Br)cn1)N[C@@H]1CCN(C1=O)[*:1]
C[C@@H](Cn1cc(Br)cn1)N[C@@H]1CCN(C2CCCCC2)C1=O Brc1cnn(c1)[*:1] C[C@@H](C[*:1])N[C@@H]1CCN(C1=O)C1CCCCC1
O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1cc[nH]c1 c1cc(c[nH]1)[*:1] O=C([O-])[C@H]1CCCCN1S(=O)(=O)[*:1]
O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1cc[nH]c1 O=C([O-])[*:1] O=S(=O)(c1cc[nH]c1)N1CCCC[C@@H]1[*:1]
CC(C)CC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 CC(C)[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)N1CCC(CC1)C[*:1]
CC(C)CC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 CC(C)C[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)N1CCC(CC1)[*:1]
CC(C)CC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 CC(C)(C)[*:1] CC(C)CC1CCN(CC1)C(=O)C(=O)Nc1nn(cc1C#N)[*:1]
C[NH+](CCOc1ccccc1)CC(=O)N1CCN(S(C)(=O)=O)CC1 c1ccc(cc1)OC[*:1] C[NH+](CC(=O)N1CCN(CC1)S(C)(=O)=O)C[*:1]
C[NH+](CCOc1ccccc1)CC(=O)N1CCN(S(C)(=O)=O)CC1 c1ccc(cc1)O[*:1] C[NH+](CC[*:1])CC(=O)N1CCN(CC1)S(C)(=O)=O
C[NH+](CCOc1ccccc1)CC(=O)N1CCN(S(C)(=O)=O)CC1 c1ccc(cc1)[*:1] C[NH+](CCO[*:1])CC(=O)N1CCN(CC1)S(C)(=O)=O
CC(C)n1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O O=[N+]([O-])[*:1] CC(C)n1c(nc2ccccc2c1=O)S[C@H](C)C(=O)Nc1ccccc1[*:1]
CC(C)n1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O CC(C)[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)Nc1ccccc1[N+](=O)[O-]
CC(C)n1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O O=[N+]([O-])c1ccccc1[*:1] CC(C)n1c(nc2ccccc2c1=O)S[C@H](C)C(=O)N[*:1]
COc1ccc(C)c2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccc(Cl)s3)nc12 Clc1ccc(s1)[*:1] COc1ccc(C)c2sc(nc12)N(CCC[NH+]1CCOCC1)C(=O)[*:1]
O=C(NC(C1CC1)C1CC1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 C1CC1C(C1CC1)[*:1] O=C(N[*:1])N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F
O=C(NC(C1CC1)C1CC1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] O=C(NC(C1CC1)C1CC1)N1CC[C@H](C1)Oc1ccc(cn1)[*:1]
O=C(NC(C1CC1)C1CC1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 C1CC1[*:1] O=C(NC(C1CC1)[*:1])N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F
COCCN1C(N)=[NH+]C[C@@]1(C)c1ccc(F)c(Cl)c1 COC[*:1] C[C@]1(C[NH+]=C(N)N1C[*:1])c1ccc(F)c(Cl)c1
COCCN1C(N)=[NH+]C[C@@]1(C)c1ccc(F)c(Cl)c1 COCC[*:1] C[C@]1(C[NH+]=C(N)N1[*:1])c1ccc(F)c(Cl)c1
C=C1C=C(CO)[C@@H](C(=O)NCc2ccccc2)C(=S)N1 c1ccc(cc1)[*:1] C=C1C=C(CO)[C@@H](C(=O)NC[*:1])C(=S)N1
C[C@H]1CN(c2ccccc2C[NH2+]CCc2cn3ccccc3[nH+]2)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)[*:1] c1ccc(c(c1)C[NH2+]CCc1cn2ccccc2[nH+]1)[*:1]
CO[C@H]1CCCC[C@H]1OC(=O)c1cc(C(C)C)n(C)n1 CC(C)[*:1] CO[C@H]1CCCC[C@H]1OC(=O)c1cc(n(C)n1)[*:1]
Cc1ccc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)NC[C@@H]2CCCO2)c1[*:1]
Cc1ccc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2C(C)C)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N[*:1])c1C(C)C
Cc1ccc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2C(C)C)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)NC[*:1])c1C(C)C
Cc1ccc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)c1c(nnn1[*:1])C(=O)NC[C@@H]1CCCO1
OC[C@H](O)CSc1nnc(N2CCCC2)n1C1CC1 OC[C@H](O)C[*:1] C1CCN(C1)c1nnc(S[*:1])n1C1CC1
OC[C@H](O)CSc1nnc(N2CCCC2)n1C1CC1 C1CC1[*:1] OC[C@H](O)CSc1nnc(N2CCCC2)n1[*:1]
OC[C@H](O)CSc1nnc(N2CCCC2)n1C1CC1 OC[C@H](O)CS[*:1] C1CCN(C1)c1nnc(n1C1CC1)[*:1]
OC[C@H](O)CSc1nnc(N2CCCC2)n1C1CC1 OC[C@H](O)[*:1] C1CCN(C1)c1nnc(SC[*:1])n1C1CC1
OC[C@H](O)CSc1nnc(N2CCCC2)n1C1CC1 C1CCN(C1)[*:1] OC[C@H](O)CSc1nnc(n1C1CC1)[*:1]
CCOC[C@]1(O)CCC[C@@H](C)[C@@H]1C CCOC[*:1] C[C@H]1[C@H](C)CCC[C@]1(O)[*:1]
CCOC[C@]1(O)CCC[C@@H](C)[C@@H]1C CCO[*:1] C[C@H]1[C@H](C)CCC[C@@]1(O)C[*:1]
Cc1occc1-c1nnc(SCCOc2cccc(Br)c2)n1N Brc1cccc(c1)[*:1] Cc1occc1-c1nnc(SCCO[*:1])n1N
Cc1occc1-c1nnc(SCCOc2cccc(Br)c2)n1N Cc1occc1[*:1] Nn1c(nnc1[*:1])SCCOc1cccc(Br)c1
CC[NH2+][C@H](c1ccc(F)cc1)[C@H]1CCO[C@]2(CCSC2)C1 Fc1ccc(cc1)[*:1] CC[NH2+][C@H]([C@H]1CCO[C@]2(CCSC2)C1)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1 CC(C)C(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCc2cc(F)ccc2C1
CC(C)C(=O)Nc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])N1CCc2cc(F)ccc2C1
CCOc1ccc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)cc1 CCO[*:1] Nc1cc(nn1S(=O)(=O)Cc1ccccc1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)-c1cc(N)n(n1)S(=O)(=O)[*:1]
CCOc1ccc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1cc(N)n(n1)S(=O)(=O)C[*:1]
O=C(NNc1cnccn1)Nc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(NNc1cnccn1)Nc1cnn(c1)[*:1]
O=C(NNc1cnccn1)Nc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NNc1cnccn1)Nc1cnn(c1)C[*:1]
O=C(NNc1cnccn1)Nc1cnn(Cc2ccccc2)c1 c1cnc(cn1)[*:1] O=C(NN[*:1])Nc1cnn(c1)Cc1ccccc1
Cc1c2cnn(CC(=O)N3CCN(C4CCCCC4)CC3)c(=O)c2c(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c2cnn(CC(=O)N3CCN(CC3)C3CCCCC3)c(=O)c2c(C)n1C[*:1]
Cc1c2cnn(CC(=O)N3CCN(C4CCCCC4)CC3)c(=O)c2c(C)n1Cc1ccccc1 C1CCC(CC1)[*:1] Cc1c2cnn(CC(=O)N3CCN(CC3)[*:1])c(=O)c2c(C)n1Cc1ccccc1
Cc1c2cnn(CC(=O)N3CCN(C4CCCCC4)CC3)c(=O)c2c(C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1c2cnn(CC(=O)N3CCN(CC3)C3CCCCC3)c(=O)c2c(C)n1[*:1]
CCOC[C@@H]1CCN(C(=O)c2ccon2)C1 CCO[*:1] O=C(c1ccon1)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)c2ccon2)C1 c1cc(no1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)[*:1]
CCOC[C@@H]1CCN(C(=O)c2ccon2)C1 CCOC[*:1] O=C(c1ccon1)N1CC[C@H](C1)[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc[n+]2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)Nc1cccc[n+]1[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc[n+]2Cc2ccccc2)CC1 CC(C)(C)[*:1] O=C(Nc1cccc[n+]1Cc1ccccc1)C1CCN(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc[n+]2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)Nc1cccc[n+]1C[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F OCC[*:1] C[C@H](N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F C[C@H](CCO)[*:1] O=C([C@@H]1C[C@@H]1c1ccc(F)cc1F)N(Cc1ccccc1)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F c1ccc(cc1)[*:1] C[C@H](CCO)N(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F
C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F c1ccc(cc1)C[*:1] C[C@H](CCO)N(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[*:1]
CN(C)c1ncncc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl CN(C)[*:1] O=C(Nc1cncnc1[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
CN(C)c1ncncc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CN(C)c1ncncc1NC(=O)c1ccc(cc1Cl)[*:1]
Cc1ccc(CCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)NC(=O)CC[*:1]
Cc1ccc(CCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)CCC(=O)Nc1cc(ccc1Cl)[*:1]
C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)C1CC1 C1CC1[*:1] C[C@H](NC(=O)CCc1ncc(o1)-c1c(F)cccc1F)[*:1]
C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)C1CC1 C[C@H](C1CC1)[*:1] O=C(CCc1ncc(o1)-c1c(F)cccc1F)N[*:1]
Cn1cc(S(=O)(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)nc1Cl Cn1cc(nc1Cl)[*:1] O=S(=O)(NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CCNC(=O)CN(CC)C(=O)c1cnc2ccccc2n1 CCNC(=O)C[*:1] CCN(C(=O)c1cnc2ccccc2n1)[*:1]
CCNC(=O)CN(CC)C(=O)c1cnc2ccccc2n1 CCNC(=O)[*:1] CCN(C[*:1])C(=O)c1cnc2ccccc2n1
COCc1nc(C)cc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 CC(C)(C)OC(=O)N[*:1] COCc1nc(C)cc(n1)N1CCC[C@H](C1)C[*:1]
COCc1nc(C)cc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 CC(C)(C)[*:1] COCc1nc(C)cc(n1)N1CCC[C@@H](CNC(=O)O[*:1])C1
COCc1nc(C)cc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1
CC[C@@H](C)Oc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 C1CN(CCO1)[*:1] CC[C@@H](C)Oc1ncnc2c1sc1nc(c3COC(C)(C)Cc3c12)[*:1]
CCN(C(=O)C[C@H](C)CC(C)C)c1ccc(Br)cn1 CC(C)[*:1] CCN(C(=O)C[C@H](C)C[*:1])c1ccc(Br)cn1
CCN(C(=O)C[C@H](C)CC(C)C)c1ccc(Br)cn1 CC(C)C[*:1] CCN(C(=O)C[C@H](C)[*:1])c1ccc(Br)cn1
CCN(C(=O)C[C@H](C)CC(C)C)c1ccc(Br)cn1 CC(C)C[C@@H](C)[*:1] CCN(C(=O)C[*:1])c1ccc(Br)cn1
Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cccc(Cl)c1C Cc1c(Cl)cccc1[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])CN1C(=O)[C@H]2CCCC[C@@H]2C1=O
CCc1ccc(NC(=O)C(=O)N[C@H](C)CCCO)cc1 C[C@H](CCCO)[*:1] CCc1ccc(cc1)NC(=O)C(=O)N[*:1]
CCc1ccc(NC(=O)C(=O)N[C@H](C)CCCO)cc1 OCC[*:1] CCc1ccc(cc1)NC(=O)C(=O)N[C@H](C)C[*:1]
CCc1ccc(NC(=O)C(=O)N[C@H](C)CCCO)cc1 OCCC[*:1] CCc1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
CC(C)c1ccn(-c2nc(C(F)(F)F)ccc2C(N)=O)n1 FC(F)(F)[*:1] CC(C)c1ccn(n1)-c1nc(ccc1C(N)=O)[*:1]
CC(C)c1ccn(-c2nc(C(F)(F)F)ccc2C(N)=O)n1 NC(=O)[*:1] CC(C)c1ccn(n1)-c1nc(ccc1[*:1])C(F)(F)F
CC(C)c1ccn(-c2nc(C(F)(F)F)ccc2C(N)=O)n1 CC(C)[*:1] NC(=O)c1ccc(nc1-n1ccc(n1)[*:1])C(F)(F)F
CN(C(=O)Cc1cccc(OCC#N)c1)[C@H]1[C@H]2CCO[C@@H]2C1(C)C N#CC[*:1] CN(C(=O)Cc1cccc(c1)O[*:1])[C@H]1[C@H]2CCO[C@@H]2C1(C)C
CN(C(=O)Cc1cccc(OCC#N)c1)[C@H]1[C@H]2CCO[C@@H]2C1(C)C N#CCO[*:1] CN(C(=O)Cc1cccc(c1)[*:1])[C@H]1[C@H]2CCO[C@@H]2C1(C)C
CC(C)n1c(CNC(=O)c2cccc(C[S@@](C)=O)c2)n[nH]c1=S CC(C)[*:1] C[S@@](=O)Cc1cccc(c1)C(=O)NCc1n[nH]c(=S)n1[*:1]
CC(C)n1c(CNC(=O)c2cccc(C[S@@](C)=O)c2)n[nH]c1=S C[S@@](=O)C[*:1] CC(C)n1c(CNC(=O)c2cccc(c2)[*:1])n[nH]c1=S
COc1cc(Cl)c(N)c(C(C)=O)c1 CC(=O)[*:1] COc1cc(Cl)c(N)c(c1)[*:1]
COC(=O)[C@H]1CCCCN1C1CCSCC1 COC(=O)[*:1] C1CCN(C2CCSCC2)[C@H](C1)[*:1]
O=C(N/N=C/c1cccc(O)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(N/N=C/c1cccc(O)c1)C(=Cc1ccc2OCOc2c1)[*:1]
O=C(N/N=C/c1cccc(O)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 c1cc2OCOc2cc1[*:1] O=C(N/N=C/c1cccc(O)c1)C(=C[*:1])NC(=O)c1ccccc1
O=C(N/N=C/c1cccc(O)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1cccc(O)c1)/C(=C\c1ccc2OCOc2c1)NC(=O)[*:1]
O=C(N/N=C/c1cccc(O)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 Oc1cccc(c1)[*:1] O=C(NN=C[*:1])/C(=C\c1ccc2OCOc2c1)NC(=O)c1ccccc1
CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cnc(-c3cnn(C)c3)s2)C1(C)C Cn1cc(cn1)[*:1] CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cnc(s2)[*:1])C1(C)C
COc1ccccc1N1CCN(C[C@H](O)c2ccccc2C(F)(F)F)CC1 COc1ccccc1[*:1] O[C@@H](CN1CCN(CC1)[*:1])c1ccccc1C(F)(F)F
COc1ccccc1N1CCN(C[C@H](O)c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] COc1ccccc1N1CCN(CC1)C[C@H](O)c1ccccc1[*:1]
CCC(CC)N1C(=O)[C@@H](C(C)(C)C)NC(=O)[C@H]1[C@H](C)CC CC[C@@H](C)[*:1] CCC(CC)N1C(=O)[C@H](NC(=O)[C@@H]1[*:1])C(C)(C)C
CCC(CC)N1C(=O)[C@@H](C(C)(C)C)NC(=O)[C@H]1[C@H](C)CC CC(C)(C)[*:1] CCC(CC)N1C(=O)[C@@H](NC(=O)[C@H]1[C@H](C)CC)[*:1]
CCC(CC)N1C(=O)[C@@H](C(C)(C)C)NC(=O)[C@H]1[C@H](C)CC CCC(CC)[*:1] CC[C@@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[*:1])C(C)(C)C
C[C@@H](CNC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)[*:1])c1nc(no1)-c1ccccc1
C[C@@H](CNC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1ccccc1)c1nc(no1)[*:1]
CCOc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1 Fc1ccccc1C[*:1] CCOc1ccc(cc1)C(=O)Nc1c(C)nn(c1C)[*:1]
CCOc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1 CCOc1ccc(cc1)[*:1] Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)[*:1]
CCOc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1 Fc1ccccc1[*:1] CCOc1ccc(cc1)C(=O)Nc1c(C)nn(C[*:1])c1C
CCOc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1 CCO[*:1] Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1ccc(cc1)[*:1]
Cc1cnccc1CCNC(=O)Nc1nc(C(C)C)nn1C CC(C)[*:1] Cc1cnccc1CCNC(=O)Nc1nc(nn1C)[*:1]
Cc1cnccc1CCNC(=O)Nc1nc(C(C)C)nn1C Cc1cnccc1[*:1] CC(C)c1nc(NC(=O)NCC[*:1])n(C)n1
Cc1ncc([C@@H](C)NCc2ccc(F)c(Cl)c2)s1 Cc1ncc(s1)[*:1] C[C@@H](NCc1ccc(F)c(Cl)c1)[*:1]
CC(=O)NCCNC(=O)[C@H](C)OCC(F)(F)F CC(=O)NC[*:1] C[C@H](OCC(F)(F)F)C(=O)NC[*:1]
CC(=O)NCCNC(=O)[C@H](C)OCC(F)(F)F CC(=O)N[*:1] C[C@H](OCC(F)(F)F)C(=O)NCC[*:1]
CC(=O)NCCNC(=O)[C@H](C)OCC(F)(F)F FC(F)(F)C[*:1] CC(=O)NCCNC(=O)[C@H](C)O[*:1]
CC(=O)NCCNC(=O)[C@H](C)OCC(F)(F)F FC(F)(F)[*:1] CC(=O)NCCNC(=O)[C@H](C)OC[*:1]
O=C([O-])[C@@H]1CC2(CCN(C(=O)C3(c4ccccc4F)CC3)CC2)C[NH2+]1 Fc1ccccc1[*:1] O=C([O-])[C@@H]1CC2(CCN(CC2)C(=O)C2(CC2)[*:1])C[NH2+]1
CCSc1cncc(NCc2csc(C(C)(C)C)n2)n1 CCS[*:1] CC(C)(C)c1nc(cs1)CNc1cncc(n1)[*:1]
CCSc1cncc(NCc2csc(C(C)(C)C)n2)n1 CC(C)(C)[*:1] CCSc1cncc(n1)NCc1csc(n1)[*:1]
Cc1c(NC(=O)C(=O)N[C@@H](C)CCC(C)C)cccc1C(N)=O CC(C)C[*:1] Cc1c(cccc1C(N)=O)NC(=O)C(=O)N[C@@H](C)C[*:1]
Cc1c(NC(=O)C(=O)N[C@@H](C)CCC(C)C)cccc1C(N)=O CC(C)CC[C@H](C)[*:1] Cc1c(cccc1C(N)=O)NC(=O)C(=O)N[*:1]
Cc1c(NC(=O)C(=O)N[C@@H](C)CCC(C)C)cccc1C(N)=O CC(C)CC[*:1] Cc1c(cccc1C(N)=O)NC(=O)C(=O)N[C@@H](C)[*:1]
Cc1c(NC(=O)C(=O)N[C@@H](C)CCC(C)C)cccc1C(N)=O CC(C)[*:1] Cc1c(cccc1C(N)=O)NC(=O)C(=O)N[C@@H](C)CC[*:1]
Cc1c(NC(=O)C(=O)N[C@@H](C)CCC(C)C)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)N[C@@H](C)CCC(C)C
O=C1COc2cc(I)ccc2N1CCC1CC1 C1CC1CC[*:1] O=C1COc2cc(I)ccc2N1[*:1]
O=C1COc2cc(I)ccc2N1CCC1CC1 C1CC1C[*:1] O=C1COc2cc(I)ccc2N1C[*:1]
O=C1COc2cc(I)ccc2N1CCC1CC1 C1CC1[*:1] O=C1COc2cc(I)ccc2N1CC[*:1]
CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 CN(C)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](C1)c1nc(ncc1-c1ccccc1)[*:1]
CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 Fc1ccc(cc1)[*:1] CN(C)c1ncc(-c2ccccc2)c(n1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 c1ccc(cc1)[*:1] CN(C)c1ncc(c(n1)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1)[*:1]
CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 CCCC[*:1] O=C1CCCC2Nc3nc([nH]c(=O)c3[C@@H](C=21)c1cccc(F)c1)S[*:1]
CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 CCC[*:1] O=C1CCCC2Nc3nc([nH]c(=O)c3[C@@H](C=21)c1cccc(F)c1)SC[*:1]
CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 CCCCS[*:1] O=C1CCCC2Nc3nc([nH]c(=O)c3[C@@H](C=21)c1cccc(F)c1)[*:1]
CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 Fc1cccc(c1)[*:1] CCCCSc1nc2NC3CCCC(=O)C=3[C@@H](c2c(=O)[nH]1)[*:1]
O=C(COc1ccc(F)cc1Br)Nc1cccc(NC(=O)c2ccco2)c1 Fc1ccc(O[*:1])c(Br)c1 O=C(C[*:1])Nc1cccc(c1)NC(=O)c1ccco1
O=C(COc1ccc(F)cc1Br)Nc1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] O=C(COc1ccc(F)cc1Br)Nc1cccc(c1)NC(=O)[*:1]
O=C(COc1ccc(F)cc1Br)Nc1cccc(NC(=O)c2ccco2)c1 Fc1ccc(c(Br)c1)[*:1] O=C(CO[*:1])Nc1cccc(c1)NC(=O)c1ccco1
O=C(COc1ccc(F)cc1Br)Nc1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 O=C(COc1ccc(F)cc1Br)Nc1cccc(c1)[*:1]
Cc1cc(C)n(-c2cncc(N(C)Cc3ccc(O)cc3)n2)n1 Oc1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)N(C)C[*:1]
Cc1cc(C)n(-c2cncc(N(C)Cc3ccc(O)cc3)n2)n1 Cc1cc(C)n(n1)[*:1] CN(Cc1ccc(O)cc1)c1cncc(n1)[*:1]
CCc1nn(C)cc1C(=O)NCc1ccc(C[NH+]2CCCCCCC2)cc1 CCc1nn(C)cc1[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCCCC1)[*:1]
CCOc1ccccc1NC(=O)Nc1cc(C)ccn1 CCO[*:1] Cc1ccnc(c1)NC(=O)Nc1ccccc1[*:1]
CCOC(=O)CCNC(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2 CCOC(=O)[*:1] O=C1NC2(CCN(CC2)C(=O)NCC[*:1])Oc2ccccc21
CCOC(=O)CCNC(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2 CCOC(=O)C[*:1] O=C1NC2(CCN(CC2)C(=O)NC[*:1])Oc2ccccc21
CCOC(=O)CCNC(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2 CCOC(=O)CC[*:1] O=C1NC2(CCN(CC2)C(=O)N[*:1])Oc2ccccc21
C[NH2+][C@@]1(CO)CCC[C@H]1CCOC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[NH2+][C@@]1(CO)CCC[C@H]1CCO[*:1]
C[NH2+][C@@]1(CO)CCC[C@H]1CCOC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[NH2+][C@@]1(CO)CCC[C@H]1CCOC[*:1]
CCN(Cc1ccncc1)C(=O)c1csc2c1CCCO2 c1cc(ccn1)[*:1] CCN(C[*:1])C(=O)c1csc2OCCCc12
CCN(Cc1ccncc1)C(=O)c1csc2c1CCCO2 c1cc(ccn1)C[*:1] CCN(C(=O)c1csc2OCCCc12)[*:1]
CC[C@H](C)N(C)[C@@H](C[NH3+])c1ccco1 CC[C@H](C)[*:1] CN([C@@H](C[NH3+])c1ccco1)[*:1]
C[C@@H]1CCCCC[C@H]1NC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] C[C@@H]1CCCCC[C@H]1NC[*:1]
C#CCN1CCN(C(=O)NCCCc2ccccc2)CC1 C#CC[*:1] O=C(NCCCc1ccccc1)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)NCCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] C#CCN1CCN(CC1)C(=O)NCC[*:1]
C#CCN1CCN(C(=O)NCCCc2ccccc2)CC1 c1ccc(cc1)[*:1] C#CCN1CCN(CC1)C(=O)NCCC[*:1]
C/C(=C/C(=O)NC1CCN(C(=O)c2cnccn2)CC1)c1cccc(F)c1 c1cnc(cn1)[*:1] C/C(=C/C(=O)NC1CCN(CC1)C(=O)[*:1])c1cccc(F)c1
C/C(=C/C(=O)NC1CCN(C(=O)c2cnccn2)CC1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(=CC(=O)NC1CCN(CC1)C(=O)c1cnccn1)[*:1]
COc1cc2c(cc1OC)CN(C(=O)NC[C@H](C)Cn1cccn1)CC2 c1cnn(c1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)NC[C@H](C)C[*:1]
COc1cc2c(cc1OC)CN(C(=O)NC[C@H](C)Cn1cccn1)CC2 c1cnn(c1)C[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)NC[C@H](C)[*:1]
CCN(CCC#N)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 N#CC[*:1] CCN(C[*:1])C(=O)Nc1ccc(cc1)CNS(C)(=O)=O
CCN(CCC#N)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 CS(=O)(=O)N[*:1] CCN(CCC#N)C(=O)Nc1ccc(cc1)C[*:1]
CCN(CCC#N)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 N#CCC[*:1] CCN(C(=O)Nc1ccc(cc1)CNS(C)(=O)=O)[*:1]
CCN(CCC#N)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 CS(=O)(=O)NC[*:1] CCN(CCC#N)C(=O)Nc1ccc(cc1)[*:1]
CC(C)C(=O)N1CCC(NC(=O)NCC[C@H](C)c2ccccc2)CC1 C[C@H](c1ccccc1)[*:1] CC(C)C(=O)N1CCC(CC1)NC(=O)NCC[*:1]
CC(C)C(=O)N1CCC(NC(=O)NCC[C@H](C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)C(=O)N1CCC(CC1)NC(=O)NCC[C@H](C)[*:1]
CC(C)C(=O)N1CCC(NC(=O)NCC[C@H](C)c2ccccc2)CC1 CC(C)[*:1] C[C@@H](CCNC(=O)NC1CCN(CC1)C(=O)[*:1])c1ccccc1
COc1ccc(/C=C(/SCC(=O)[O-])c2nc3ccccc3s2)cc1O O=C([O-])[*:1] COc1ccc(/C=C(/SC[*:1])c2nc3ccccc3s2)cc1O
O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)N[*:1]
O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1cccc(F)c1 c1csc(c1)[*:1] O=C(CN[C@H](c1ccc(F)cc1)[*:1])Nc1cccc(F)c1
O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1cccc(F)c1 Fc1ccc(cc1)[*:1] O=C(CN[C@H](c1cccs1)[*:1])Nc1cccc(F)c1
COc1cccc(NC(=O)COC(=O)c2ccc3c(c2)CCC(=O)N3)c1 COc1cccc(c1)[*:1] O=C1CCc2cc(ccc2N1)C(=O)OCC(=O)N[*:1]
CCOc1cc(C(=O)N[C@H]2CCCCC[C@@H]2C(=O)OC)ccn1 COC(=O)[*:1] CCOc1cc(ccn1)C(=O)N[C@H]1CCCCC[C@H]1[*:1]
CCOc1cc(C(=O)N[C@H]2CCCCC[C@@H]2C(=O)OC)ccn1 CCO[*:1] COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1ccnc(c1)[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1 CC(C)n1nnnc1[*:1] CN(Cc1ccc(F)cc1)C(=O)c1cccc(c1)OC[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CC(C)n1nnnc1COc1cccc(c1)C(=O)N(C)C[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1 CC(C)n1nnnc1C[*:1] CN(Cc1ccc(F)cc1)C(=O)c1cccc(c1)O[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1 CC(C)[*:1] CN(Cc1ccc(F)cc1)C(=O)c1cccc(c1)OCc1nnnn1[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1 Fc1ccc(cc1)C[*:1] CC(C)n1nnnc1COc1cccc(c1)C(=O)N(C)[*:1]
Cn1cccc1[C@@H](O)CNS(=O)(=O)c1ccccc1F Cn1cccc1[*:1] O=S(=O)(NC[C@H](O)[*:1])c1ccccc1F
C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)-c1ccncc1
C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1]
C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccc(cc1)-c1ccncc1
Cc1cc(C)n(CCN(C(=O)C2CCCCC2)c2nc3c(F)cc(F)cc3s2)n1 Cc1cc(C)n(C[*:1])n1 O=C(C1CCCCC1)N(C[*:1])c1nc2c(F)cc(F)cc2s1
Cc1cc(C)n(CCN(C(=O)C2CCCCC2)c2nc3c(F)cc(F)cc3s2)n1 Cc1cc(C)n(n1)[*:1] O=C(C1CCCCC1)N(CC[*:1])c1nc2c(F)cc(F)cc2s1
Cc1cc(C)n(CCN(C(=O)C2CCCCC2)c2nc3c(F)cc(F)cc3s2)n1 C1CCC(CC1)[*:1] Cc1cc(C)n(CCN(C(=O)[*:1])c2nc3c(F)cc(F)cc3s2)n1
Cc1cc(C)n(CCN(C(=O)C2CCCCC2)c2nc3c(F)cc(F)cc3s2)n1 Cc1cc(C)n(CC[*:1])n1 O=C(C1CCCCC1)N(c1nc2c(F)cc(F)cc2s1)[*:1]
O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1ccc2OCOc2c1)[*:1]
CCCCNC(=O)Cc1coc2cc(OC)ccc12 CCC[*:1] COc1ccc2c(coc2c1)CC(=O)NC[*:1]
CCCCNC(=O)Cc1coc2cc(OC)ccc12 CCCC[*:1] COc1ccc2c(coc2c1)CC(=O)N[*:1]
CC(C)N(Cc1cccs1)[C@]1(C[NH3+])CS[C@@H](C)C1 c1csc(c1)[*:1] CC(C)N(C[*:1])[C@]1(C[NH3+])CS[C@@H](C)C1
CC(C)N(Cc1cccs1)[C@]1(C[NH3+])CS[C@@H](C)C1 c1csc(c1)C[*:1] CC(C)N([C@]1(C[NH3+])CS[C@@H](C)C1)[*:1]
CC(C)N(Cc1cccs1)[C@]1(C[NH3+])CS[C@@H](C)C1 CC(C)[*:1] C[C@H]1C[C@@](C[NH3+])(CS1)N(Cc1cccs1)[*:1]
Cc1ccccc1N1CC[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1N1CC[NH+](CC1)CC(=O)Nc1cc(nn1[*:1])C1CC1
Cc1ccccc1N1CC[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 Cc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)[*:1])Nc1cc(nn1-c1ccccc1)C1CC1
Cc1ccccc1N1CC[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 C1CC1[*:1] Cc1ccccc1N1CC[NH+](CC1)CC(=O)Nc1cc(nn1-c1ccccc1)[*:1]
C[C@H]1CSCCN1[C@H](C[NH3+])CC(N)=O NC(=O)C[*:1] C[C@H]1CSCCN1[C@H](C[NH3+])[*:1]
C[C@H]1CSCCN1[C@H](C[NH3+])CC(N)=O NC(=O)[*:1] C[C@H]1CSCCN1[C@H](C[NH3+])C[*:1]
COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 COc1cccc(c1)[*:1] CN1C(=O)Cc2cc(ccc21)S(=O)(=O)CCC(=O)NC[*:1]
COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 COc1cccc(c1)C[*:1] CN1C(=O)Cc2cc(ccc21)S(=O)(=O)CCC(=O)N[*:1]
CCN(C(=O)c1cccn(Cc2ccccc2)c1=O)c1cccc(C)c1 c1ccc(cc1)[*:1] CCN(C(=O)c1cccn(C[*:1])c1=O)c1cccc(C)c1
CCN(C(=O)c1cccn(Cc2ccccc2)c1=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(C(=O)c1cccn(Cc2ccccc2)c1=O)[*:1]
CCN(C(=O)c1cccn(Cc2ccccc2)c1=O)c1cccc(C)c1 c1ccc(cc1)C[*:1] CCN(C(=O)c1cccn(c1=O)[*:1])c1cccc(C)c1
CC[C@H](OC)C(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O C1CCC(C1)[*:1] CC[C@H](OC)C(=O)NCc1cc2C(=O)N(Cc2nc1OC)[*:1]
Cc1cc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)n[nH]1 Cc1cc(n[nH]1)[*:1] C1CC[NH+](CC1)Cc1nnc2sc(nn12)[*:1]
CCNC(=O)Cn1cnc2sc(C)cc2c1=O CCNC(=O)[*:1] Cc1cc2c(=O)n(cnc2s1)C[*:1]
COc1cccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)c1 COc1cccc(c1)[*:1] O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21)N[*:1]
COc1cccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)c1 c1csc(c1)CC[*:1] COc1cccc(c1)NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
COc1cccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)c1 c1csc(c1)[*:1] COc1cccc(c1)NC(=O)Cn1c(=O)n(CC[*:1])c(=O)c2sccc21
COc1cccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)c1 c1csc(c1)C[*:1] COc1cccc(c1)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
Cc1ccc2cccc(Nc3ncnc(NNC(=O)c4ccc(Br)cc4)c3N)c2n1 Brc1ccc(cc1)[*:1] Cc1ccc2cccc(Nc3ncnc(NNC(=O)[*:1])c3N)c2n1
Cc1noc(C)c1CNC(=O)C[C@](C)(C(=O)[O-])C(C)C O=C([O-])[*:1] Cc1noc(C)c1CNC(=O)C[C@](C)(C(C)C)[*:1]
Cc1noc(C)c1CNC(=O)C[C@](C)(C(=O)[O-])C(C)C CC(C)[*:1] Cc1noc(C)c1CNC(=O)C[C@](C)(C(=O)[O-])[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cnn(C(C)C)c2)C1 CC(C)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)c1cnn(c1)[*:1]
NC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O NC(=O)C[*:1] O=c1c2nnn(Cc3ccc(Cl)cc3)c2ncn1[*:1]
NC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O NC(=O)[*:1] O=c1c2nnn(Cc3ccc(Cl)cc3)c2ncn1C[*:1]
NC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] NC(=O)Cn1cnc2c(nnn2C[*:1])c1=O
Cc1ccc([C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)CCO2)c(C)c1 CN1CCO[C@H](C1)[*:1] Cc1ccc(c(C)c1)[C@@H]1CN(CCO1)C(=O)[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)NCC[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)NCCc1ccc(F)cc1 CC(C)(C)[*:1] O=C(NCCc1ccc(F)cc1)C(=O)Nc1ccnn1[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)NC[*:1]
O=c1c2sccc2nc(SCc2cc(=O)n3ccccc3n2)n1Cc1ccccc1Cl Clc1ccccc1C[*:1] O=c1c2sccc2nc(SCc2cc(=O)n3ccccc3n2)n1[*:1]
O=c1c2sccc2nc(SCc2cc(=O)n3ccccc3n2)n1Cc1ccccc1Cl Clc1ccccc1[*:1] O=c1c2sccc2nc(SCc2cc(=O)n3ccccc3n2)n1C[*:1]
Cc1ccc(-n2cc(C(=O)N(C)CC3CCCCC3)nn2)cc1 C1CCC(CC1)C[*:1] Cc1ccc(cc1)-n1cc(nn1)C(=O)N(C)[*:1]
Cc1ccc(-n2cc(C(=O)N(C)CC3CCCCC3)nn2)cc1 Cc1ccc(cc1)[*:1] CN(CC1CCCCC1)C(=O)c1cn(nn1)[*:1]
Cc1ccc(-n2cc(C(=O)N(C)CC3CCCCC3)nn2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)-n1cc(nn1)C(=O)N(C)C[*:1]
C[C@H](O)CN(C)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 O=c1ccccn1[*:1] C[C@H](O)CN(C)C(=O)NCc1ccc(cc1)C[*:1]
C[C@H](O)CN(C)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 O=c1ccccn1C[*:1] C[C@H](O)CN(C)C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(O)c(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 FC(F)(F)[*:1] COc1ccc(O)c(c1)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
Cc1cc(CN2CCC[NH+](C3CCOCC3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] C1CN(CC[NH+](C1)C1CCOCC1)C[*:1]
Cc1cc(CN2CCC[NH+](C3CCOCC3)CC2)c(C)o1 C1CC(CCO1)[*:1] Cc1cc(CN2CCC[NH+](CC2)[*:1])c(C)o1
CCc1ccc([C@H](C)NC(=O)CS(=O)(=O)Cc2ccccc2Cl)cc1 CCc1ccc(cc1)[*:1] C[C@H](NC(=O)CS(=O)(=O)Cc1ccccc1Cl)[*:1]
CCc1ccc([C@H](C)NC(=O)CS(=O)(=O)Cc2ccccc2Cl)cc1 Clc1ccccc1C[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)CS(=O)(=O)[*:1]
CCc1ccc([C@H](C)NC(=O)CS(=O)(=O)Cc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)CS(=O)(=O)C[*:1]
O=C(CSCC(F)(F)F)NCc1ncccc1F FC(F)(F)CS[*:1] O=C(C[*:1])NCc1ncccc1F
O=C(CSCC(F)(F)F)NCc1ncccc1F FC(F)(F)C[*:1] O=C(CS[*:1])NCc1ncccc1F
O=C(CSCC(F)(F)F)NCc1ncccc1F FC(F)(F)[*:1] O=C(CSC[*:1])NCc1ncccc1F
C=C(C)[C@H]1CC=C(C)C[C@]1(Cc1ccoc1)S(=O)(=O)c1ccccc1 C=C(C)[*:1] CC1=CC[C@@H]([C@@](C1)(Cc1ccoc1)S(=O)(=O)c1ccccc1)[*:1]
C=C(C)[C@H]1CC=C(C)C[C@]1(Cc1ccoc1)S(=O)(=O)c1ccccc1 c1cc(co1)C[*:1] C=C(C)[C@H]1CC=C(C)C[C@@]1(S(=O)(=O)c1ccccc1)[*:1]
C=C(C)[C@H]1CC=C(C)C[C@]1(Cc1ccoc1)S(=O)(=O)c1ccccc1 c1cc(co1)[*:1] C=C(C)[C@H]1CC=C(C)C[C@]1(C[*:1])S(=O)(=O)c1ccccc1
C=C(C)[C@H]1CC=C(C)C[C@]1(Cc1ccoc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C=C(C)[C@H]1CC=C(C)C[C@]1(Cc1ccoc1)S(=O)(=O)[*:1]
CC(C)c1ocnc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 CC(C)[*:1] c1nc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(o1)[*:1]
N#CC1(NC(=O)CCOc2ccc(Br)cc2F)CC1 N#CC1(CC1)[*:1] O=C(CCOc1ccc(Br)cc1F)N[*:1]
O=C1CSc2ccc(NC(=O)c3ccccc3F)cc2N1 Fc1ccccc1[*:1] O=C1CSc2ccc(cc2N1)NC(=O)[*:1]
C[NH+](C)Cc1cccc(CNC(=O)c2cccc(NC(=O)NC3CC3)c2)c1 C1CC1[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)c1cccc(c1)NC(=O)N[*:1]
C[NH+](C)Cc1cccc(CNC(=O)c2cccc(NC(=O)NC3CC3)c2)c1 O=C(NC1CC1)N[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)c1cccc(c1)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2cc3ccc(C)cc3[nH]2)cc1 COc1ccc(cc1)[*:1] Cc1ccc2cc([nH]c2c1)C(=O)N[C@H](C)[C@@H](O)[*:1]
COc1ccc(NC(=O)c2cc(C)nn2-c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)c1cc(C)nn1[*:1]
O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NC(=O)[*:1]
O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ncc(n1C1CC1)[*:1])NC(=O)Cc1ccccc1
O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NC(=O)C[*:1]
O=C(CSc1ncc(-c2ccccc2)n1C1CC1)NC(=O)Cc1ccccc1 C1CC1[*:1] O=C(CSc1ncc(-c2ccccc2)n1[*:1])NC(=O)Cc1ccccc1
COC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@]1(C)C(=O)OC COC(=O)[*:1] COC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@]1(C)[*:1]
COC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@]1(C)C(=O)OC COC(=O)[*:1] COC(=O)[C@]1(C)[C@H]([C@H]2CC[C@@H]1C2)[*:1]
CC(C)C[NH2+]CC/C=C/Cc1cccs1 CC(C)C[*:1] C(=C/Cc1cccs1)\CC[NH2+][*:1]
CC(C)C[NH2+]CC/C=C/Cc1cccs1 c1csc(c1)[*:1] CC(C)C[NH2+]CC/C=C/C[*:1]
CC(C)C[NH2+]CC/C=C/Cc1cccs1 CC(C)[*:1] C(=C/Cc1cccs1)\CC[NH2+]C[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 CCOC(=O)C=C[*:1] CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 CCOC(=O)[*:1] CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(C=C[*:1])cc1
CCc1onc(C)c1NC(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 c1ccc(cc1)C[*:1] CCc1onc(C)c1NC(=O)N1C[C@@H]2OCCN([C@H]2C1)[*:1]
CCc1onc(C)c1NC(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 CCc1onc(C)c1[*:1] O=C(N[*:1])N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1
CCc1onc(C)c1NC(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 c1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)N1C[C@@H]2OCCN(C[*:1])[C@H]2C1
C[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1C(C)(C)C CC(C)(C)[*:1] C[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1[*:1]
CC(C)[C@@H]1C(=O)NCCN1c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)[C@@H]1C(=O)NCCN1c1cccc(c1[*:1])S(C)(=O)=O
CC(C)[C@@H]1C(=O)NCCN1c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] CS(=O)(=O)[*:1] CC(C)[C@@H]1C(=O)NCCN1c1cccc(c1[N+](=O)[O-])[*:1]
CC(C)[C@@H]1C(=O)NCCN1c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] CC(C)[*:1] CS(=O)(=O)c1cccc(c1[N+](=O)[O-])N1CCNC(=O)[C@H]1[*:1]
Cc1ccc(OCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OCC(=O)N2CCCCC2)c(c1)[*:1]
CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 Clc1ccc(c(Cl)c1)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1nnc(o1)[*:1]
NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1Br NC(=O)[*:1] O=C(COC(=O)c1ccccc1Br)Nc1sccc1[*:1]
NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1Br Brc1ccccc1[*:1] NC(=O)c1ccsc1NC(=O)COC(=O)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc3[nH]ccc3c1)CC2)[C@@H]1CCCO1 O=C(N[*:1])[C@@H]1CCCO1 O=C(c1ccc2[nH]ccc2c1)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc3[nH]ccc3c1)CC2)[C@@H]1CCCO1 c1cc2cc(ccc2[nH]1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])[C@@H]1CCCO1
O=C(c1cccc(Cn2cccn2)c1)N1CCO[C@H](C(F)(F)F)C1 c1cnn(c1)C[*:1] O=C(c1cccc(c1)[*:1])N1CCO[C@@H](C1)C(F)(F)F
O=C(c1cccc(Cn2cccn2)c1)N1CCO[C@H](C(F)(F)F)C1 c1cnn(c1)[*:1] O=C(c1cccc(c1)C[*:1])N1CCO[C@@H](C1)C(F)(F)F
O=C(c1cccc(Cn2cccn2)c1)N1CCO[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(c1cccc(c1)Cn1cccn1)N1CCO[C@H](C1)[*:1]
Clc1ccc(Cc2nc(CCc3ccccc3)n[nH]2)cn1 c1ccc(cc1)[*:1] Clc1ccc(cn1)Cc1nc(CC[*:1])n[nH]1
Clc1ccc(Cc2nc(CCc3ccccc3)n[nH]2)cn1 c1ccc(cc1)C[*:1] Clc1ccc(cn1)Cc1nc(C[*:1])n[nH]1
Clc1ccc(Cc2nc(CCc3ccccc3)n[nH]2)cn1 Clc1ccc(cn1)[*:1] c1ccc(cc1)CCc1n[nH]c(C[*:1])n1
C[C@@H]1SCCN(C(=O)NCc2cn(-c3ccccc3)nn2)[C@H]1C c1ccc(cc1)[*:1] C[C@@H]1SCCN(C(=O)NCc2cn(nn2)[*:1])[C@H]1C
Cc1cccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)NC(=O)c1cccc(c1)NC(=O)/C=C/c1ccc(cc1)[*:1]
Cc1cccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c1 Cc1cccc(c1)NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])Nc1cccc(c1)[*:1]
Cc1cccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c1 Cc1cccc(c1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])Nc1cccc(c1)C(=O)N[*:1]
Cc1cccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)c1cccc(c1)NC(=O)C=C[*:1]
O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1nc2c(F)cccc2s1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1nc2c(F)cccc2s1
O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1nc2c(F)cccc2s1 O=C(C[*:1])N1CCOCC1 O=C(Nc1ccc(cc1)[*:1])c1nc2c(F)cccc2s1
Cc1nc2cc(C(=O)OCC(=O)N3CCCCCC3)ccc2n1-c1ccccc1 O=C(N1CCCCCC1)[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)OC[*:1]
Cc1nc2cc(C(=O)OCC(=O)N3CCCCCC3)ccc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2cc(ccc2n1[*:1])C(=O)OCC(=O)N1CCCCCC1
CS(=O)(=O)c1ccc(-n2nnnc2CN2CC=C(C(F)(F)F)CC2)cc1 FC(F)(F)[*:1] CS(=O)(=O)c1ccc(cc1)-n1nnnc1CN1CC=C(CC1)[*:1]
CS(=O)(=O)c1ccc(-n2nnnc2CN2CC=C(C(F)(F)F)CC2)cc1 CS(=O)(=O)[*:1] FC(F)(F)C1=CCN(CC1)Cc1nnnn1-c1ccc(cc1)[*:1]
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2CCC)c1 C#CC[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2CCC)c1 C#CCNS(=O)(=O)[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)c1cccc(c1)[*:1]
C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2CCC)c1 CCC[*:1] C#CCNS(=O)(=O)c1cccc(c1)C(=O)N1CCC[C@@H](C)[C@H]1[*:1]
CCc1ccccc1N(CC(=O)N1CCN(C=O)CC1)S(C)(=O)=O CCc1ccccc1[*:1] CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)[*:1]
COCCn1ccc2cc(NC(=O)NC[C@H](O)C(C)C)ccc21 COC[*:1] CC(C)[C@@H](O)CNC(=O)Nc1ccc2c(ccn2C[*:1])c1
COCCn1ccc2cc(NC(=O)NC[C@H](O)C(C)C)ccc21 CC(C)[*:1] COCCn1ccc2cc(ccc21)NC(=O)NC[C@H](O)[*:1]
COCCn1ccc2cc(NC(=O)NC[C@H](O)C(C)C)ccc21 COCC[*:1] CC(C)[C@@H](O)CNC(=O)Nc1ccc2c(ccn2[*:1])c1
CC(C)CCN(C)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 CC(C)[*:1] CN(CC[*:1])C(=O)c1nc(n2ccccc12)S(C)(=O)=O
CC(C)CCN(C)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 CS(=O)(=O)[*:1] CC(C)CCN(C)C(=O)c1nc(n2ccccc12)[*:1]
CC(C)CCN(C)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 CC(C)CC[*:1] CN(C(=O)c1nc(n2ccccc12)S(C)(=O)=O)[*:1]
CC(C)CCN(C)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 CC(C)C[*:1] CN(C[*:1])C(=O)c1nc(n2ccccc12)S(C)(=O)=O
C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)N1CCC[C@H](CC1)[NH+]1CCCC1)[*:1]
CCC[C@H](C)c1c([O-])[nH+]c(Nc2nc(C)c3cccc(C)c3n2)[nH]c1=O CCC[C@H](C)[*:1] Cc1nc(nc2c(C)cccc12)Nc1[nH]c(=O)c(c([O-])[nH+]1)[*:1]
CCC[C@H](C)c1c([O-])[nH+]c(Nc2nc(C)c3cccc(C)c3n2)[nH]c1=O CCC[*:1] Cc1nc(nc2c(C)cccc12)Nc1[nH]c(=O)c(c([O-])[nH+]1)[C@@H](C)[*:1]
COc1ccc(N2C[C@H](C(=O)Nc3oc(C)c(C(C)=O)c3C#N)CC2=O)cc1 COc1ccc(cc1)[*:1] CC(=O)c1c(C)oc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])c1C#N
COc1ccc(N2C[C@H](C(=O)Nc3oc(C)c(C(C)=O)c3C#N)CC2=O)cc1 CC(=O)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1oc(C)c(c1C#N)[*:1]
O=C(Nc1ccccc1Cl)C1CCC(Cn2nnc3ccccc3c2=O)CC1 Clc1ccccc1[*:1] O=C(N[*:1])C1CCC(CC1)Cn1nnc2ccccc2c1=O
O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(NC(=O)c1ccco1)C2=O O=[N+]([O-])c1cccc(c1)[*:1] O=C(NN1C(=O)c2ccc(cc2C1=O)C(=O)[*:1])c1ccco1
O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(NC(=O)c1ccco1)C2=O O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])c1ccc2C(=O)N(NC(=O)c3ccco3)C(=O)c2c1
O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(NC(=O)c1ccco1)C2=O c1coc(c1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])c1ccc2C(=O)N(NC(=O)[*:1])C(=O)c2c1
COc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc(C(=O)N(C)C)cc2)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc(C(=O)N(C)C)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)C(=O)N(C)C)[C@@H](O)[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)NCc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)NC[*:1]
CC(C)(C)OC(=O)N1CCC(CNc2ccc([N+](=O)[O-])cn2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)CNc1ccc(cn1)[N+](=O)[O-]
CC(C)(C)OC(=O)N1CCC(CNc2ccc([N+](=O)[O-])cn2)CC1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1CCC(CC1)CNc1ccc(cn1)[*:1]
O=C(NC[C@H]1C[C@H]1c1ccccc1)[C@]12CC[C@H](C[C@@H]1Br)C2 c1ccc(cc1)[*:1] O=C(NC[C@H]1C[C@@H]1[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
Cc1ccc(COc2ccccc2[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(-c2ccc3nnc(C)n3n2)c2NC(=O)C[C@H](c3ccccc3O[*:1])c12
Cc1ccc(COc2ccccc2[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(-c2ccc3nnc(C)n3n2)c2NC(=O)C[C@H](c3ccccc3OC[*:1])c12
Cc1ccc(COc2ccccc2[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1 Cc1ccc(cc1)CO[*:1] Cc1nn(-c2ccc3nnc(C)n3n2)c2NC(=O)C[C@H](c3ccccc3[*:1])c12
CCn1c(SCC(=O)N(C)CC(=O)Nc2cc(C)ccc2C)nc2ccccc21 Cc1ccc(C)c(c1)[*:1] CCn1c(nc2ccccc21)SCC(=O)N(C)CC(=O)N[*:1]
O=C(NCCN1CCCCC1=O)c1cc(COc2ccc3ncccc3c2)on1 O=C1CCCCN1CC[*:1] O=C(N[*:1])c1cc(COc2ccc3ncccc3c2)on1
O=C(NCCN1CCCCC1=O)c1cc(COc2ccc3ncccc3c2)on1 O=C1CCCCN1C[*:1] O=C(NC[*:1])c1cc(COc2ccc3ncccc3c2)on1
O=C(NCCN1CCCCC1=O)c1cc(COc2ccc3ncccc3c2)on1 O=C1CCCCN1[*:1] O=C(NCC[*:1])c1cc(COc2ccc3ncccc3c2)on1
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC(C)C)c1 CC(C)NC(=O)[*:1] COc1ccc(OC)c(c1)-c1nn(cc1[*:1])-c1ccccc1
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC(C)C)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)-c1nn(cc1C(=O)NC(C)C)[*:1]
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC(C)C)c1 CC(C)[*:1] COc1ccc(OC)c(c1)-c1nn(cc1C(=O)N[*:1])-c1ccccc1
Cc1ccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)Nc2ccc(C(N)=O)cc2)cc1 NC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)N[*:1]
Cc1ccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)Nc2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] Cc1ccc(cc1)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)Nc2ccc(C(N)=O)cc2)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)C[C@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
Cn1ncnc1NC(=O)NCc1ccc(OC2CCCC2)nc1 C1CCC(C1)O[*:1] Cn1ncnc1NC(=O)NCc1ccc(nc1)[*:1]
Cn1ncnc1NC(=O)NCc1ccc(OC2CCCC2)nc1 C1CCC(C1)[*:1] Cn1ncnc1NC(=O)NCc1ccc(nc1)O[*:1]
Cn1ncnc1NC(=O)NCc1ccc(OC2CCCC2)nc1 Cn1ncnc1[*:1] O=C(NCc1ccc(nc1)OC1CCCC1)N[*:1]
C[C@@H]([C@@H](C)N(C)C(=O)CCC(F)(F)F)S(C)(=O)=O C[C@@H](S(C)(=O)=O)[*:1] C[C@@H](N(C)C(=O)CCC(F)(F)F)[*:1]
C[C@@H]([C@@H](C)N(C)C(=O)CCC(F)(F)F)S(C)(=O)=O FC(F)(F)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)CC[*:1])S(C)(=O)=O
C[C@@H]([C@@H](C)N(C)C(=O)CCC(F)(F)F)S(C)(=O)=O FC(F)(F)CC[*:1] C[C@@H]([C@@H](C)N(C)C(=O)[*:1])S(C)(=O)=O
C[C@@H]([C@@H](C)N(C)C(=O)CCC(F)(F)F)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)CCC(F)(F)F)[*:1]
C[C@@H]([C@@H](C)N(C)C(=O)CCC(F)(F)F)S(C)(=O)=O FC(F)(F)C[*:1] C[C@@H]([C@@H](C)N(C)C(=O)C[*:1])S(C)(=O)=O
Cn1cc(S(=O)(=O)N[C@H](CO)c2ccc(Cl)cc2)cc1C(N)=O Clc1ccc(cc1)[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N[C@H](CO)[*:1]
Cn1cc(S(=O)(=O)N[C@H](CO)c2ccc(Cl)cc2)cc1C(N)=O NC(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)N[C@H](CO)c1ccc(Cl)cc1
CCCS(=O)(=O)N1CCC([NH2+]C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 CCC[*:1] O=S(=O)(N1CCC(CC1)[NH2+]C[C@H]1C[C@@H]2C=C[C@H]1C2)[*:1]
COc1ccc2nc(N3CCN(C(=O)c4cc(Cl)ccc4[N+](=O)[O-])CC3)sc2c1 O=[N+]([O-])[*:1] COc1ccc2nc(sc2c1)N1CCN(CC1)C(=O)c1cc(Cl)ccc1[*:1]
O=C(c1ccccc1Cl)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)CC1 Clc1ccccc1C[*:1] O=C(c1ccccc1Cl)N1CCC(CC1)c1nc(=O)c2nnn(c2[nH]1)[*:1]
O=C(c1ccccc1Cl)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)CC1 Clc1ccccc1[*:1] O=C(N1CCC(CC1)c1nc(=O)c2nnn(Cc3ccccc3Cl)c2[nH]1)[*:1]
O=C(c1ccccc1Cl)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)CC1 Clc1ccccc1[*:1] O=C(c1ccccc1Cl)N1CCC(CC1)c1nc(=O)c2nnn(C[*:1])c2[nH]1
N#Cc1ccccc1N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 N#Cc1ccccc1[*:1] N#Cc1cnn(-c2ccc(cc2)C(=O)N2CCN(CC2)[*:1])c1N
N#Cc1ccccc1N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 N#Cc1cnn(c1N)[*:1] N#Cc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COc1ccc(Br)cc1/C=C/C(=O)NCCc1n[nH]c(=S)n1C Cn1c(n[nH]c1=S)[*:1] COc1ccc(Br)cc1/C=C/C(=O)NCC[*:1]
C[C@@H](NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@@H]1CCCO1 Fc1cccc(F)c1[*:1] C[C@@H](NC(=O)N[C@@H]1CCN(C1=O)[*:1])[C@@H]1CCCO1
C[C@@H](NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)N[C@@H]1CCN(C1=O)c1c(F)cccc1F)[*:1]
Cc1c(C(=O)Nc2ccccc2F)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1ccccc1F
COC[C@@H](NS(=O)(=O)N(C)C)c1ccc(C)o1 COC[*:1] Cc1ccc(o1)[C@H](NS(=O)(=O)N(C)C)[*:1]
Clc1snnc1CN1CCO[C@@H](Cn2cncn2)C1 c1ncn(n1)[*:1] Clc1snnc1CN1CCO[C@H](C1)C[*:1]
Clc1snnc1CN1CCO[C@@H](Cn2cncn2)C1 Clc1snnc1[*:1] c1ncn(C[C@H]2CN(CCO2)C[*:1])n1
Clc1snnc1CN1CCO[C@@H](Cn2cncn2)C1 c1ncn(C[*:1])n1 Clc1snnc1CN1CCO[C@@H](C1)[*:1]
COCCn1ccc2ccc(NC(=O)C(=O)Nc3ccc(OC)cc3)cc21 COCC[*:1] COc1ccc(cc1)NC(=O)C(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)C(=O)Nc3ccc(OC)cc3)cc21 COc1ccc(cc1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)C(=O)N[*:1]
COCCn1ccc2ccc(NC(=O)C(=O)Nc3ccc(OC)cc3)cc21 COC[*:1] COc1ccc(cc1)NC(=O)C(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCN1C(N)=[NH+]C[C@@H]1C COC[*:1] C[C@H]1C[NH+]=C(N)N1C[*:1]
Cn1cc(C[C@@](C)([NH3+])c2cc(F)cc(F)c2)cn1 Cn1cc(cn1)[*:1] C[C@@]([NH3+])(C[*:1])c1cc(F)cc(F)c1
COc1cc(Cl)c(C)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)c1cccc(c1)[*:1]
C[C@@H](NC(=O)c1ccc(N2CCCC2)nc1)c1ccc(-n2cccn2)cc1 C1CCN(C1)[*:1] C[C@@H](NC(=O)c1ccc(nc1)[*:1])c1ccc(cc1)-n1cccn1
C[C@@H](NC(=O)c1ccc(N2CCCC2)nc1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@@H](NC(=O)c1ccc(nc1)N1CCCC1)c1ccc(cc1)[*:1]
N#CCOc1ccccc1[C@H]1N[C@@H](C(=O)[O-])CS1 N#CCO[*:1] O=C([O-])[C@H]1CS[C@H](N1)c1ccccc1[*:1]
N#CCOc1ccccc1[C@H]1N[C@@H](C(=O)[O-])CS1 N#CC[*:1] O=C([O-])[C@H]1CS[C@H](N1)c1ccccc1O[*:1]
N#CCOc1ccccc1[C@H]1N[C@@H](C(=O)[O-])CS1 O=C([O-])[*:1] N#CCOc1ccccc1[C@H]1N[C@@H](CS1)[*:1]
CCOC(=O)C[C@@H](C#N)NC(C)C CC(C)N[*:1] CCOC(=O)C[C@@H](C#N)[*:1]
CCOC(=O)C[C@@H](C#N)NC(C)C CC(C)[*:1] CCOC(=O)C[C@@H](C#N)N[*:1]
Cc1ccccc1[C@H](C#N)C(=O)C(=O)Nc1cccc(Cl)c1 Cc1ccccc1[*:1] N#C[C@H](C(=O)C(=O)Nc1cccc(Cl)c1)[*:1]
Cc1ccccc1[C@H](C#N)C(=O)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1ccccc1[C@H](C#N)C(=O)C(=O)N[*:1]
CC(C)c1noc(CCC(=O)N2CCCC[C@H]2CCc2ccccc2)n1 CC(C)[*:1] O=C(CCc1nc(no1)[*:1])N1CCCC[C@H]1CCc1ccccc1
CC(C)c1noc(CCC(=O)N2CCCC[C@H]2CCc2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)c1noc(CCC(=O)N2CCCC[C@H]2CC[*:1])n1
CC(C)c1noc(CCC(=O)N2CCCC[C@H]2CCc2ccccc2)n1 CC(C)c1noc(n1)[*:1] O=C(CC[*:1])N1CCCC[C@H]1CCc1ccccc1
CC(C)c1noc(CCC(=O)N2CCCC[C@H]2CCc2ccccc2)n1 c1ccc(cc1)C[*:1] CC(C)c1noc(CCC(=O)N2CCCC[C@H]2C[*:1])n1
CC(C)c1noc(CCC(=O)N2CCCC[C@H]2CCc2ccccc2)n1 c1ccc(cc1)CC[*:1] CC(C)c1noc(CCC(=O)N2CCCC[C@@H]2[*:1])n1
CC(C)c1ocnc1CS(=O)(=O)c1cc2c(cc1Cl)OCCO2 CC(C)[*:1] O=S(=O)(Cc1ncoc1[*:1])c1cc2OCCOc2cc1Cl
N#Cc1ccc(OC[C@H](O)Cn2nnn(-c3cccs3)c2=O)cc1 N#Cc1ccc(cc1)[*:1] O=c1n(C[C@@H](O)CO[*:1])nnn1-c1cccs1
N#Cc1ccc(OC[C@H](O)Cn2nnn(-c3cccs3)c2=O)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)OC[C@H](O)Cn1nnn(c1=O)[*:1]
C[C@H](O)C/N=C1/N=C(N2CCOCC2)S1 C[C@H](O)C[*:1] C1CN(CCO1)C1=NC(=N[*:1])S1
C[C@H](O)C/N=C1/N=C(N2CCOCC2)S1 C[C@H](O)[*:1] C1CN(CCO1)C1=N/C(=N/C[*:1])S1
CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C)n2)C(=O)CO3)cc1 CCc1ccc(cc1)[*:1] Cc1nc(CN2C(=O)COc3cc(c(Cl)cc32)S(=O)(=O)[N-][*:1])no1
CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C)n2)C(=O)CO3)cc1 Cc1nc(no1)[*:1] CCc1ccc(cc1)[N-]S(=O)(=O)c1cc2OCC(=O)N(C[*:1])c2cc1Cl
CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C)n2)C(=O)CO3)cc1 Cc1nc(C[*:1])no1 CCc1ccc(cc1)[N-]S(=O)(=O)c1cc2OCC(=O)N(c2cc1Cl)[*:1]
CCCNC(=O)C[NH2+]Cc1ccc(F)cc1 CCC[*:1] O=C(C[NH2+]Cc1ccc(F)cc1)N[*:1]
C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C(C)(C)CO1 c1ccc(nc1)[*:1] C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C2)C[*:1])C(C)(C)CO1
C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C(C)(C)CO1 c1ccc(C[*:1])nc1 C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C2)[*:1])C(C)(C)CO1
CC1(C)CC(=O)C2=C(C1)OC(/N=C/N1CCCC1)=C(C#N)[C@H]2c1ccccc1 c1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)OC(/N=C/N1CCCC1)=C(C#N)[C@@H]2[*:1]
CC1(C)CC(=O)C2=C(C1)OC(/N=C/N1CCCC1)=C(C#N)[C@H]2c1ccccc1 C(=N[*:1])N1CCCC1 CC1(C)CC(=O)C2=C(C1)OC(=C(C#N)[C@H]2c1ccccc1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 NC(=O)N[*:1] CC(C)[C@H](C(=O)NCC1(CCCCC1)CN1CCOCC1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 CC(C)[C@H](NC(N)=O)[*:1] O=C(NCC1(CCCCC1)CN1CCOCC1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 CC(C)[*:1] NC(=O)N[C@H](C(=O)NCC1(CCCCC1)CN1CCOCC1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)C[*:1] CC(C)[C@H](NC(N)=O)C(=O)NCC1(CCCCC1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] CC(C)[C@H](NC(N)=O)C(=O)NCC1(CCCCC1)C[*:1]
C=C(C)C(=O)Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 C=C(C)C(=O)N[*:1] O=C(/C=C/c1ccc(cc1)[*:1])c1ccc(Br)cc1
C=C(C)C(=O)Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 C=C(C)[*:1] O=C(/C=C/c1ccc(cc1)NC(=O)[*:1])c1ccc(Br)cc1
C=C(C)C(=O)Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] C=C(C)C(=O)Nc1ccc(/C=C/C(=O)[*:1])cc1
CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 CCOC(=O)[*:1] O=C1C[C@H](C(=O)N1c1cccc(Cl)c1Cl)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 Clc1cccc(c1Cl)[*:1] CCOC(=O)[C@@H]1CCCN(C1)[C@@H]1CC(=O)N(C1=O)[*:1]
CN(C)c1cccc(C(=O)NCCc2ccsc2)c1 c1cc(cs1)C[*:1] CN(C)c1cccc(c1)C(=O)NC[*:1]
CN(C)c1cccc(C(=O)NCCc2ccsc2)c1 c1cc(cs1)[*:1] CN(C)c1cccc(c1)C(=O)NCC[*:1]
CN(C)c1cccc(C(=O)NCCc2ccsc2)c1 CN(C)[*:1] O=C(NCCc1ccsc1)c1cccc(c1)[*:1]
Cc1cccc(-c2nc3cnccn3c2NCCC(=O)N[C@H](C)c2cccs2)c1 c1csc(c1)[*:1] Cc1cccc(c1)-c1nc2cnccn2c1NCCC(=O)N[C@H](C)[*:1]
Cc1cccc(-c2nc3cnccn3c2NCCC(=O)N[C@H](C)c2cccs2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)CCNc1c(nc2cnccn12)[*:1])c1cccs1
Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(F)c2)no1 Cc1cc(no1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(F)c2)N1[*:1]
Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] Cc1cc(no1)N1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1[*:1]
CC(=O)c1ccc(OC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 c1coc(c1)[*:1] CC(=O)c1ccc(cc1)OC(=O)Cc1csc(n1)NC(=O)[*:1]
CC(=O)c1ccc(OC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 CC(=O)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccco1)Oc1ccc(cc1)[*:1]
CC(=O)c1ccc(OC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 O=C(N[*:1])c1ccco1 CC(=O)c1ccc(cc1)OC(=O)Cc1csc(n1)[*:1]
O=Cc1ccc(Sc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=Cc1ccc(Sc2nnc(o2)-c2ccccc2)c(c1)[*:1]
O=Cc1ccc(Sc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=Cc1ccc(Sc2nnc(o2)[*:1])c(c1)[N+](=O)[O-]
FC(F)(F)c1cccc(-c2noc(CCc3nc4ccccc4[nH]3)n2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])-c1noc(CCc2nc3ccccc3[nH]2)n1
CC[C@@H](CO)NC(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] CC[C@@H](CO)NC(=O)c1n[nH]c(n1)[*:1]
CC[C@@H](CO)NC(=O)c1n[nH]c(C2CC2)n1 CC[C@@H](CO)[*:1] O=C(N[*:1])c1n[nH]c(n1)C1CC1
COc1ccc(-n2nnc(-c3nsc(NC(=O)c4cccc(F)c4)n3)c2C)cc1OC O=C(N[*:1])c1cccc(F)c1 COc1ccc(cc1OC)-n1nnc(-c2nsc(n2)[*:1])c1C
COc1ccc(-n2nnc(-c3nsc(NC(=O)c4cccc(F)c4)n3)c2C)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)-n1nnc(-c2nsc(n2)NC(=O)[*:1])c1C
COc1ccc(-n2nnc(-c3nsc(NC(=O)c4cccc(F)c4)n3)c2C)cc1OC COc1ccc(cc1OC)[*:1] Cc1c(nnn1[*:1])-c1nsc(n1)NC(=O)c1cccc(F)c1
COc1ccccc1C[NH+](C)Cc1nc(N)nc(Nc2ccccc2C)n1 COc1ccccc1C[*:1] Cc1ccccc1Nc1nc(N)nc(C[NH+](C)[*:1])n1
COc1ccccc1C[NH+](C)Cc1nc(N)nc(Nc2ccccc2C)n1 COc1ccccc1[*:1] Cc1ccccc1Nc1nc(N)nc(C[NH+](C)C[*:1])n1
COc1ccccc1C[NH+](C)Cc1nc(N)nc(Nc2ccccc2C)n1 Cc1ccccc1N[*:1] COc1ccccc1C[NH+](C)Cc1nc(N)nc(n1)[*:1]
COc1ccccc1C[NH+](C)Cc1nc(N)nc(Nc2ccccc2C)n1 Cc1ccccc1[*:1] COc1ccccc1C[NH+](C)Cc1nc(N)nc(n1)N[*:1]
CCOC(=O)c1csc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)n1 c1ccc(nc1)[*:1] CCOC(=O)c1csc(n1)NC(=O)c1cc(nc2ccccc12)[*:1]
CCOC(=O)c1csc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)n1 CCOC(=O)[*:1] O=C(Nc1nc(cs1)[*:1])c1cc(nc2ccccc12)-c1ccccn1
Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1CC(N)=O Clc1ccc(cc1)[*:1] Cc1nnc(SCC(=O)N[*:1])n1CC(N)=O
Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1CC(N)=O NC(=O)[*:1] Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C[*:1]
Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1CC(N)=O NC(=O)C[*:1] Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1[*:1]
Cc1cccc(C[S@@](=O)CC(=O)N(C)Cc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)C[S@@](=O)CC(=O)N(C)C[*:1]
Cc1cccc(C[S@@](=O)CC(=O)N(C)Cc2ccc(F)cc2)c1 Cc1cccc(c1)[*:1] CN(Cc1ccc(F)cc1)C(=O)C[S@](=O)C[*:1]
Cc1nc(CCNC(=O)c2cnc(C(C)(C)C)[nH]c2=O)nc2c1CCC2 CC(C)(C)[*:1] Cc1nc(CCNC(=O)c2cnc([nH]c2=O)[*:1])nc2CCCc12
N#Cc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] N#Cc1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
C[NH2+][C@H]([C@H]1CCO[C@]2(CCOC2)C1)[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] C[NH2+][C@H]([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)NCCC#N)cc3)n2)o1 Cc1nnc(o1)[*:1] CC(C)(C)c1cc(nn1-c1ccc(cc1)C(=O)NCCC#N)[*:1]
Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)NCCC#N)cc3)n2)o1 N#CCCNC(=O)[*:1] Cc1nnc(o1)-c1cc(n(n1)-c1ccc(cc1)[*:1])C(C)(C)C
Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)NCCC#N)cc3)n2)o1 N#CC[*:1] Cc1nnc(o1)-c1cc(n(n1)-c1ccc(cc1)C(=O)NC[*:1])C(C)(C)C
Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)NCCC#N)cc3)n2)o1 CC(C)(C)[*:1] Cc1nnc(o1)-c1cc(n(n1)-c1ccc(cc1)C(=O)NCCC#N)[*:1]
Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)NCCC#N)cc3)n2)o1 N#CCC[*:1] Cc1nnc(o1)-c1cc(n(n1)-c1ccc(cc1)C(=O)N[*:1])C(C)(C)C
C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(-n4ccnc4)nc3)cc2)C[C@H](C)O1 c1cn(cn1)[*:1] C[C@H]1CN(Cc2ccc(cc2)C(=O)Nc2ccc(nc2)[*:1])C[C@H](C)O1
COc1ccc(NC(=S)N(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C2CCCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)CN(C(=S)N[*:1])C1CCCC1
COc1ccc(NC(=S)N(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)NC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)[*:1]
Cc1nsnc1Cn1nnc(C(=O)N(CCO)Cc2ccccc2)c1C Cc1nsnc1[*:1] Cc1c(nnn1C[*:1])C(=O)N(CCO)Cc1ccccc1
Cc1nsnc1Cn1nnc(C(=O)N(CCO)Cc2ccccc2)c1C Cc1nsnc1C[*:1] Cc1c(nnn1[*:1])C(=O)N(CCO)Cc1ccccc1
Cc1nsnc1Cn1nnc(C(=O)N(CCO)Cc2ccccc2)c1C OCC[*:1] Cc1nsnc1Cn1nnc(C(=O)N(Cc2ccccc2)[*:1])c1C
Cc1nsnc1Cn1nnc(C(=O)N(CCO)Cc2ccccc2)c1C c1ccc(cc1)C[*:1] Cc1nsnc1Cn1nnc(C(=O)N(CCO)[*:1])c1C
Cc1nsnc1Cn1nnc(C(=O)N(CCO)Cc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1nsnc1Cn1nnc(C(=O)N(CCO)C[*:1])c1C
CC(=O)c1c(O)cccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O CC(=O)[*:1] OC[C@@H]1O[C@H](Oc2cccc(O)c2[*:1])[C@H](O)[C@H](O)[C@@H]1O
CCN(C(=O)c1ccc(-c2nc(C)no2)cc1)[C@@H]1CCS(=O)(=O)C1 Cc1noc(n1)[*:1] CCN(C(=O)c1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(C(=O)N2CC[NH+](Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)N1CC[NH+](CC1)Cc1nc(oc1C)[*:1]
COc1ccc(C(=O)N2CC[NH+](Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)-c1nc(C[NH+]2CCN(CC2)C(=O)[*:1])c(C)o1
Cc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 O=C(CS[*:1])N1CCCC1 Cc1ccccc1-n1c(nnc1[*:1])-c1ccc(Cl)cc1
Cc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])SCC(=O)N1CCCC1
Cc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 O=C(C[*:1])N1CCCC1 Cc1ccccc1-n1c(nnc1-c1ccc(Cl)cc1)S[*:1]
Cc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 Cc1ccccc1[*:1] O=C(CSc1nnc(-c2ccc(Cl)cc2)n1[*:1])N1CCCC1
Cc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 O=C(N1CCCC1)[*:1] Cc1ccccc1-n1c(nnc1-c1ccc(Cl)cc1)SC[*:1]
CC(=O)NCCSc1ccc(Br)cc1N CC(=O)NC[*:1] Nc1cc(Br)ccc1SC[*:1]
CC(=O)NCCSc1ccc(Br)cc1N CC(=O)N[*:1] Nc1cc(Br)ccc1SCC[*:1]
Cc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl O=S(=O)(N1CCCC1)[*:1] Cc1ccc(cc1Cl)NCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(CN[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Cc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl Cc1ccc(cc1Cl)N[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
CC[C@H](C)[C@H]([NH2+]C)[C@@H]1CSCCS1 CC[C@H](C)[*:1] C[NH2+][C@H]([C@@H]1CSCCS1)[*:1]
COC(=O)c1ccccc1C(=O)Cn1c(=N)n(C)c2ccccc21 COC(=O)[*:1] Cn1c(=N)n(CC(=O)c2ccccc2[*:1])c2ccccc21
O=C(OCc1nc2cc(Cl)ccc2n1Cc1ccccc1)[C@H]1COCCO1 c1ccc(cc1)C[*:1] O=C(OCc1nc2cc(Cl)ccc2n1[*:1])[C@H]1COCCO1
O=C(OCc1nc2cc(Cl)ccc2n1Cc1ccccc1)[C@H]1COCCO1 c1ccc(cc1)[*:1] O=C(OCc1nc2cc(Cl)ccc2n1C[*:1])[C@H]1COCCO1
CCOc1ccccc1[C@@H](CC)NC(=O)N1CCC[C@H](CCO)C1 CCO[*:1] CC[C@@H](NC(=O)N1CCC[C@H](CCO)C1)c1ccccc1[*:1]
CCOc1ccccc1[C@@H](CC)NC(=O)N1CCC[C@H](CCO)C1 OCC[*:1] CCOc1ccccc1[C@@H](CC)NC(=O)N1CCC[C@H](C1)[*:1]
CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C(C)=O)cc1 CCO[*:1] CC(=O)c1ccc(cc1)NC(=O)c1sc(cc1[*:1])-c1ccccc1
CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C(C)=O)cc1 CC(=O)[*:1] CCOc1cc(sc1C(=O)Nc1ccc(cc1)[*:1])-c1ccccc1
CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C(C)=O)cc1 c1ccc(cc1)[*:1] CCOc1cc(sc1C(=O)Nc1ccc(cc1)C(C)=O)[*:1]
CC(=O)Nc1ccc(CCNC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 CC(=O)N[*:1] C[C@@H]1C[C@H](CC(=O)NCCc2ccc(cc2)[*:1])CC(C)(C)C1
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 CC[C@@H](C)NC(=O)[C@@H](C)[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 CC[C@@H](C)NC(=O)[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)N[C@H](C)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 CC[C@@H](C)[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)N[C@H](C)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 CC1CCN(CC1)[*:1] CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc([nH+]c1)[*:1]
O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccncc1 c1cc(ccn1)[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])N1CCOCC1
O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccncc1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccncc1
C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 C1CC1[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)N1CCO[C@H](C1)c1ccc(F)c(F)c1
C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCO[C@@H](C1)[*:1]
C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 C1CC1n1nnnc1S[*:1] C[C@H](C(=O)N1CCO[C@H](C1)c1ccc(F)c(F)c1)[*:1]
C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 C1CC1n1nnnc1[*:1] C[C@H](S[*:1])C(=O)N1CCO[C@H](C1)c1ccc(F)c(F)c1
CSCCc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2C)cc1 CSC[*:1] Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccc(cc1)C[*:1]
CSCCc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2C)cc1 Cc1ccccc1[*:1] CSCCc1ccc(cc1)NC(=O)C(=O)N[C@@H](C)[*:1]
CSCCc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2C)cc1 CSCC[*:1] Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CN(C(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(Cl)c(c1)N1CCCCS1(=O)=O)[*:1]
CN(C(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1ccccc1 O=S1(=O)CCCCN1[*:1] CN(C(=O)c1ccc(Cl)c(c1)[*:1])c1ccccc1
CCCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 CCC[*:1] C[C@@H](CC[*:1])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1
CCCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 CCCCC[*:1] C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[*:1]
CCCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 CCCC[*:1] C[C@@H](C[*:1])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1
O=C(NCc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(NCc1ccccc1)c1cccc(c1)S(=O)(=O)N[*:1]
O=C(NCc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1)c1cccc(c1)S(=O)(=O)NC[*:1]
O=C(NCc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1cccc(c1)S(=O)(=O)NCc1ccccc1
O=C(NCc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)NCc1ccccc1
Clc1ncccc1-c1nc(C2CC2)no1 C1CC1[*:1] Clc1ncccc1-c1nc(no1)[*:1]
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCCCCn1ccccc1=O Fc1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1C(=O)NCCCCn1ccccc1=O)[*:1]
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCCCCn1ccccc1=O O=c1ccccn1CC[*:1] C[C@H]1C[C@@H](CN1C(=O)NCC[*:1])c1ccc(F)cc1
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCCCCn1ccccc1=O O=c1ccccn1C[*:1] C[C@H]1C[C@@H](CN1C(=O)NCCC[*:1])c1ccc(F)cc1
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCCCCn1ccccc1=O O=c1ccccn1[*:1] C[C@H]1C[C@@H](CN1C(=O)NCCCC[*:1])c1ccc(F)cc1
Cc1ccc(-n2nnc(-c3noc(-c4ccco4)n3)c2C)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-n1nnc(-c2noc(n2)[*:1])c1C
Cc1ccc(-n2nnc(-c3noc(-c4ccco4)n3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])-c1noc(n1)-c1ccco1
O=C(c1cccc(F)c1)c1ccccc1CN1CCC2(CC1)OCCO2 Fc1cccc(c1)[*:1] O=C(c1ccccc1CN1CCC2(CC1)OCCO2)[*:1]
FC(F)c1cc([C@H]2C[NH2+]C[C@H]2c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] FC(F)c1cc(n[nH]1)[C@H]1C[NH2+]C[C@@H]1[*:1]
FC(F)c1cc([C@H]2C[NH2+]C[C@H]2c2ccccc2)n[nH]1 FC(F)[*:1] c1ccc(cc1)[C@@H]1C[NH2+]C[C@@H]1c1cc([nH]n1)[*:1]
CC(=O)Cn1c(=O)c2c(nc3n(Cc4ccco4)c(C)c(C)n23)n(C)c1=O c1coc(c1)[*:1] CC(=O)Cn1c(=O)c2c(nc3n(C[*:1])c(C)c(C)n23)n(C)c1=O
CC(=O)Cn1c(=O)c2c(nc3n(Cc4ccco4)c(C)c(C)n23)n(C)c1=O c1coc(c1)C[*:1] CC(=O)Cn1c(=O)c2c(nc3n(c(C)c(C)n23)[*:1])n(C)c1=O
CC(=O)Cn1c(=O)c2c(nc3n(Cc4ccco4)c(C)c(C)n23)n(C)c1=O CC(=O)[*:1] Cc1c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1Cc1ccco1
CC(=O)Cn1c(=O)c2c(nc3n(Cc4ccco4)c(C)c(C)n23)n(C)c1=O CC(=O)C[*:1] Cc1c(C)n2c3c(=O)n(c(=O)n(C)c3nc2n1Cc1ccco1)[*:1]
CCC1(CC)[C@@H](NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)[C@H](C)[C@@H]1OC Cc1c(cc(C#N)n1C)[*:1] CCC1(CC)[C@@H](NC(=O)C(C#N)=C[*:1])[C@H](C)[C@@H]1OC
COc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1noc(n1)-c1nn(c(=O)c2ccccc12)[*:1]
COc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1OC COc1ccc(cc1OC)[*:1] O=c1c2ccccc2c(nn1-c1ccccc1)-c1nc(no1)[*:1]
CC(=O)N1CCc2c(C)c(Br)c(C)c([N+](=O)[O-])c21 O=[N+]([O-])[*:1] CC(=O)N1CCc2c(C)c(Br)c(C)c(c21)[*:1]
CC(C)[C@@H]1C[S@](=O)[C@H](C)C[NH2+]1 CC(C)[*:1] C[C@@H]1C[NH2+][C@@H](C[S@@]1=O)[*:1]
Cc1cccc(NC(=O)CCc2c(C)c3ccc(O)cc3oc2=O)n1 Cc1cccc(n1)[*:1] Cc1c(CCC(=O)N[*:1])c(=O)oc2cc(O)ccc12
O=C(OC[C@@H]1CCCCO1)c1ccc(Br)c(F)c1 C1CC[C@H](OC1)[*:1] O=C(OC[*:1])c1ccc(Br)c(F)c1
C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccn1 C[C@H](c1ccccn1)[*:1] O=C(NC1CCN(CC1)c1cccc[nH+]1)N[*:1]
C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](NC(=O)NC1CCN(CC1)c1cccc[nH+]1)[*:1]
CCCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 CCC[*:1] O=C(N1CCN(CC1)[C@@H]1CCC[C@H]1O)[*:1]
CC(=O)N1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)c1nc(c2cc(Cl)ccc2n1)[*:1]
Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)c(N)c1 C[C@H]1C[C@@H]1[*:1] Cc1ccc(NC(=O)[*:1])c(N)c1
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccc(C#N)cc2)C1 CC(C)(C)[*:1] N#Cc1ccc(cc1)CNC(=O)[C@H]1CCCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccc(C#N)cc2)C1 N#Cc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
FC(F)(F)c1cc(N2CCOCC2)nc(-c2ccccc2)n1 FC(F)(F)[*:1] c1ccc(cc1)-c1nc(cc(n1)[*:1])N1CCOCC1
FC(F)(F)c1cc(N2CCOCC2)nc(-c2ccccc2)n1 C1CN(CCO1)[*:1] FC(F)(F)c1cc(nc(n1)-c1ccccc1)[*:1]
FC(F)(F)c1cc(N2CCOCC2)nc(-c2ccccc2)n1 c1ccc(cc1)[*:1] FC(F)(F)c1cc(nc(n1)[*:1])N1CCOCC1
CCCN1C(=O)CCc2cc(N[C@H](C(=O)OC)c3ccc(F)cc3)ccc21 CCC[*:1] COC(=O)[C@@H](Nc1ccc2c(c1)CCC(=O)N2[*:1])c1ccc(F)cc1
CCCN1C(=O)CCc2cc(N[C@H](C(=O)OC)c3ccc(F)cc3)ccc21 COC(=O)[*:1] CCCN1C(=O)CCc2cc(ccc21)N[C@H](c1ccc(F)cc1)[*:1]
CCCN1C(=O)CCc2cc(N[C@H](C(=O)OC)c3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CCCN1C(=O)CCc2cc(ccc21)N[C@H](C(=O)OC)[*:1]
Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(n1)[*:1]
Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C(C)(C)C)n1 Clc1ccc(c(Cl)c1)[*:1] Cn1cc(/C=C(/C#N)C(=O)N[*:1])c(n1)C(C)(C)C
Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 O=C([O-])C[*:1] Cc1cc(ccc1NC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)O[*:1]
Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 O=C([O-])[*:1] Cc1cc(ccc1NC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)OC[*:1]
Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 O=C([O-])CO[*:1] Cc1cc(ccc1NC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)[*:1]
Cc1noc(C)c1CN1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 O=S(=O)(C1CCCC1)[*:1] Cc1noc(C)c1CN1CCN(CC1)C(=O)C[*:1]
Cc1noc(C)c1CN1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 C1CCC(C1)[*:1] Cc1noc(C)c1CN1CCN(CC1)C(=O)CS(=O)(=O)[*:1]
Cc1noc(C)c1CN1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 Cc1noc(C)c1[*:1] O=C(CS(=O)(=O)C1CCCC1)N1CCN(CC1)C[*:1]
Cc1noc(C)c1CN1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 Cc1noc(C)c1C[*:1] O=C(CS(=O)(=O)C1CCCC1)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NN1C(=O)c2ccccc2C1=O
COCCCn1c(C)cc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C COC[*:1] Cc1cc(C(=O)Cn2cnc3sc4C[C@@H](C)CCc4c3c2=O)c(C)n1CC[*:1]
COCCCn1c(C)cc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C COCC[*:1] Cc1cc(C(=O)Cn2cnc3sc4C[C@@H](C)CCc4c3c2=O)c(C)n1C[*:1]
COCCCn1c(C)cc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C COCCC[*:1] Cc1cc(C(=O)Cn2cnc3sc4C[C@@H](C)CCc4c3c2=O)c(C)n1[*:1]
COc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1 OCc1ccc(o1)[*:1] COc1ccc(/C=C/C(=O)Nc2cc(ccc2OC)[*:1])cc1
COc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)C=C[*:1])-c1ccc(CO)o1
CN(C)C(=O)CC[NH2+][C@@H]1CCCc2cccnc21 CN(C)C(=O)[*:1] c1cnc2c(c1)CCC[C@H]2[NH2+]CC[*:1]
CN(C)C(=O)CC[NH2+][C@@H]1CCCc2cccnc21 CN(C)C(=O)C[*:1] c1cnc2c(c1)CCC[C@H]2[NH2+]C[*:1]
N#C[C@@H](C(=O)CC[C@H]1CCCO1)c1ccc(F)cn1 C1CO[C@H](C1)C[*:1] N#C[C@@H](C(=O)C[*:1])c1ccc(F)cn1
N#C[C@@H](C(=O)CC[C@H]1CCCO1)c1ccc(F)cn1 C1CO[C@H](C1)[*:1] N#C[C@@H](C(=O)CC[*:1])c1ccc(F)cn1
COc1ccc(NC(=O)[C@@H](Sc2nnc3ccccn23)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@@H](Sc1nnc2ccccn12)[*:1]
COc1ccc(NC(=O)[C@@H](Sc2nnc3ccccn23)c2ccccc2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(N[*:1])[C@@H](Sc1nnc2ccccn12)c1ccccc1
COc1ccc(NC(=O)[C@@H](Sc2nnc3ccccn23)c2ccccc2)cc1Cl c1ccn2c(nnc2c1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@@H](S[*:1])c1ccccc1
C[C@](O)(CNC(=O)Oc1ccccc1)c1cccs1 c1ccc(cc1)[*:1] C[C@](O)(CNC(=O)O[*:1])c1cccs1
C[C@](O)(CNC(=O)Oc1ccccc1)c1cccs1 c1csc(c1)[*:1] C[C@](O)(CNC(=O)Oc1ccccc1)[*:1]
c1ccc(-c2cc(N3CCC[C@@H](Cn4cc[nH+]c4)C3)n3nccc3n2)cc1 c1ccc(cc1)[*:1] c1cc2nc(cc(N3CCC[C@H](C3)Cn3cc[nH+]c3)n2n1)[*:1]
COc1ccccc1/C=N\NC(=O)[C@@H]1C=C(C(C)(C)C)N=N1 CC(C)(C)[*:1] COc1ccccc1/C=N\NC(=O)[C@@H]1C=C(N=N1)[*:1]
Cc1ccccc1CCCOC(=O)c1csc(-c2cnccn2)n1 c1cnc(cn1)[*:1] Cc1ccccc1CCCOC(=O)c1csc(n1)[*:1]
Cc1ccccc1CCCOC(=O)c1csc(-c2cnccn2)n1 Cc1ccccc1[*:1] O=C(OCCC[*:1])c1csc(n1)-c1cnccn1
Cc1ccccc1CCCOC(=O)c1csc(-c2cnccn2)n1 Cc1ccccc1C[*:1] O=C(OCC[*:1])c1csc(n1)-c1cnccn1
Cc1cc(C)c2cc(C(=O)N3CCN(C(=O)Cc4ccccc4F)CC3)[nH]c2c1 Fc1ccccc1[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1cc(C)c2cc(C(=O)N3CCN(C(=O)Cc4ccccc4F)CC3)[nH]c2c1 Fc1ccccc1C[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)N1CCN(CC1)C(=O)[*:1]
O=c1oc2cc(Cl)ccc2n1Cc1ccccc1 c1ccc(cc1)[*:1] O=c1oc2cc(Cl)ccc2n1C[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2OC(C)C)c(OC)c1 CC(C)[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)Nc1ccccc1O[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2OC(C)C)c(OC)c1 CC(C)O[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)Nc1ccccc1[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(CC1)[*:1]
O=S(=O)(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccc2cccnc12 c1cnc2c(cccc2c1)[*:1] O=S(=O)(NCc1nc(no1)-c1ccc(cc1)C(F)(F)F)[*:1]
O=S(=O)(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccc2cccnc12 FC(F)(F)[*:1] O=S(=O)(NCc1nc(no1)-c1ccc(cc1)[*:1])c1cccc2cccnc12
O=S(=O)(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccc2cccnc12 FC(F)(F)c1ccc(cc1)[*:1] O=S(=O)(NCc1nc(no1)[*:1])c1cccc2cccnc12
COc1cccc(N2CC[NH+](CC(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)C[NH+]1CCN(CC1)[*:1]
COc1cccc(N2CC[NH+](CC(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 Cc1ccc(cc1Cl)[*:1] COc1cccc(c1)N1CC[NH+](CC1)CC(=O)N[*:1]
Cc1ccc(CNC(=O)Cn2nc3ccccn3c2=O)c(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1ccc(CNC(=O)Cn2nc3ccccn3c2=O)c(c1)[*:1]
Cc1ccc(CNC(=O)Cn2nc3ccccn3c2=O)c(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(CNC(=O)Cn2nc3ccccn3c2=O)c(c1)O[*:1]
COCCC1(C(=O)N2CC[C@H](C)[C@@H](O)C2)CC1 COC[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)C1(CC1)C[*:1]
COCCC1(C(=O)N2CC[C@H](C)[C@@H](O)C2)CC1 COCC[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)C1(CC1)[*:1]
C(=N/NC1=N[C@H]2[NH+]=c3ccccc3=C2N=[NH+]1)\c1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] C(=N/NC1=N[C@H]2[NH+]=c3ccccc3=C2N=[NH+]1)\c1cccc(c1)[*:1]
C(=N/NC1=N[C@H]2[NH+]=c3ccccc3=C2N=[NH+]1)\c1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] C(=N/NC1=N[C@H]2[NH+]=c3ccccc3=C2N=[NH+]1)\c1cccc(c1)O[*:1]
CCc1nn(C)cc1C(=O)NCCCC(=O)N1CCc2ccccc21 CCc1nn(C)cc1[*:1] O=C(CCCNC(=O)[*:1])N1CCc2ccccc21
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H]2CCC[C@H]2O)cc1 Cc1ccc(cc1)[*:1] O=C(CCn1c(n[nH]c1=S)[*:1])NC[C@@H]1CCC[C@H]1O
CC(C)[C@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCCC1 CC(C)[*:1] O=C(CNC(=O)c1cc2ccccc2[nH]1)N[C@H](C(=O)N1CCCC1)[*:1]
CC(C)[C@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCCC1 c1ccc2[nH]c(cc2c1)[*:1] CC(C)[C@H](NC(=O)CNC(=O)[*:1])C(=O)N1CCCC1
CC(C)[C@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)[*:1]
COc1ccc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])NC(=O)C[C@@H](O)c1ccc(Cl)cc1
COc1ccc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1NC(C)=O Clc1ccc(cc1)[*:1] COc1ccc(cc1NC(C)=O)NC(=O)C[C@@H](O)[*:1]
C[C@H](OC(=O)C1CCC1)[C@H](C)c1ccc2ccccc2n1 O=C(O[*:1])C1CCC1 C[C@H]([C@H](C)c1ccc2ccccc2n1)[*:1]
C[C@H](OC(=O)C1CCC1)[C@H](C)c1ccc2ccccc2n1 C1CC(C1)[*:1] C[C@H](OC(=O)[*:1])[C@H](C)c1ccc2ccccc2n1
O=C(NCCNC(=O)C1CC1)c1ccn(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] O=C(NCCNC(=O)C1CC1)c1ccn(n1)[*:1]
O=C(NCCNC(=O)C1CC1)c1ccn(-c2cccc(Cl)c2)n1 O=C(N[*:1])C1CC1 O=C(NCC[*:1])c1ccn(n1)-c1cccc(Cl)c1
O=C(NCCNC(=O)C1CC1)c1ccn(-c2cccc(Cl)c2)n1 C1CC1[*:1] O=C(NCCNC(=O)[*:1])c1ccn(n1)-c1cccc(Cl)c1
O=C(NCCNC(=O)C1CC1)c1ccn(-c2cccc(Cl)c2)n1 O=C(NC[*:1])C1CC1 O=C(NC[*:1])c1ccn(n1)-c1cccc(Cl)c1
O=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1OC[C@H]1CCCO1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])Nc1ccccc1OC[C@H]1CCCO1
COc1ccc(C(=O)NC[C@@H](O)c2ccc(C)cc2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])C(=O)NC[C@@H](O)c1ccc(C)cc1
COc1ccc(C(=O)NC[C@@H](O)c2ccc(C)cc2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])C(=O)NC[C@@H](O)c1ccc(C)cc1
COc1ccc(C(=O)NC[C@@H](O)c2ccc(C)cc2)cc1OC(F)F Cc1ccc(cc1)[*:1] COc1ccc(cc1OC(F)F)C(=O)NC[C@@H](O)[*:1]
CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)Nc1ccc(F)c(F)c1F)C2 CC(C)(C)[*:1] O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CSc2nc(cc(=O)n2C1)[*:1]
CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)Nc1ccc(F)c(F)c1F)C2 Fc1ccc(c(F)c1F)[*:1] CC(C)(C)c1cc(=O)n2C[C@@H](CSc2n1)C(=O)N[*:1]
O=C(NC1CC[NH+](C2CC2)CC1)c1cc(=O)[nH]c2ccccc12 C1CC1[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1cc(=O)[nH]c2ccccc12
CC(C)[C@H](C)S(=O)(=O)Cc1ccc(Cl)s1 CC(C)[C@H](C)[*:1] O=S(=O)(Cc1ccc(Cl)s1)[*:1]
CC(C)[C@H](C)S(=O)(=O)Cc1ccc(Cl)s1 CC(C)[*:1] C[C@H](S(=O)(=O)Cc1ccc(Cl)s1)[*:1]
O=C(CCSc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1 c1ccc(cc1)[*:1] O=C(CCS[*:1])N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1
O=C(CCSc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1 c1ccc(cc1)SC[*:1] O=C(C[*:1])N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1
O=C(CCSc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1 c1ccc(cc1)SCC[*:1] O=C(N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1)[*:1]
O=C(CCSc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1 c1ccc(cc1)S[*:1] O=C(CC[*:1])N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1
Nc1c(N2CCN(c3ccc(F)cc3)CC2)ncnc1N1CCN(c2ccccc2F)CC1 Fc1ccc(cc1)[*:1] Nc1c(ncnc1N1CCN(CC1)[*:1])N1CCN(CC1)c1ccccc1F
Nc1c(N2CCN(c3ccc(F)cc3)CC2)ncnc1N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] Nc1c(ncnc1N1CCN(CC1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(/C=C/c1cnc2ccccc2n1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 c1ccc2nc(cnc2c1)[*:1] O=C(C=C[*:1])NCc1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(/C=C/c1cnc2ccccc2n1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(/C=C/c1cnc2ccccc2n1)NCc1ccc(cc1)[*:1]
Cc1cc(NC(=O)N2CCC[C@@H]2C(N)=O)ccn1 NC(=O)[*:1] Cc1cc(ccn1)NC(=O)N1CCC[C@H]1[*:1]
O=C1Nc2cc(Cl)ccc2Oc2ccc(NS(=O)(=O)c3cccs3)cc21 c1csc(c1)[*:1] O=C1Nc2cc(Cl)ccc2Oc2ccc(cc21)NS(=O)(=O)[*:1]
CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)[C@H]1CCC(=O)N([C@@H]1c1ccc(cc1)OC)[*:1]
CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(cc2)OC)[C@H]1[*:1]
CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 CCc1ccccc1NC(=O)[*:1] COc1ccc(cc1)[C@@H]1[C@H](CCC(=O)N1c1ccc(cc1)OC)[*:1]
CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 CCc1ccccc1[*:1] COc1ccc(cc1)[C@@H]1[C@H](CCC(=O)N1c1ccc(cc1)OC)C(=O)N[*:1]
CN(C)C(=O)c1ccc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)[nH]1 CN(C)C(=O)[*:1] Fc1cc(ccc1Cl)[C@H]1OCC[C@H]1NCc1ccc([nH]1)[*:1]
CN(C)C(=O)c1ccc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)[nH]1 Fc1cc(ccc1Cl)[*:1] CN(C)C(=O)c1ccc(CN[C@@H]2CCO[C@H]2[*:1])[nH]1
COC(=O)C[C@H](NC(=O)C1CCC1)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@H](C[*:1])NC(=O)C1CCC1
COC(=O)C[C@H](NC(=O)C1CCC1)c1ccc(C)cc1 C1CC(C1)[*:1] COC(=O)C[C@H](NC(=O)[*:1])c1ccc(C)cc1
COC(=O)C[C@H](NC(=O)C1CCC1)c1ccc(C)cc1 COC(=O)C[*:1] Cc1ccc(cc1)[C@@H](NC(=O)C1CCC1)[*:1]
Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)NCC[*:1]
Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)NC[*:1]
Cc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c2c(C)c(C)c(=O)oc2c1 Clc1ccc(cc1)C[*:1] Cc1cc(OCC(=O)N[C@@H](C(=O)[O-])[*:1])c2c(C)c(C)c(=O)oc2c1
Cc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c2c(C)c(C)c(=O)oc2c1 O=C([O-])[*:1] Cc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)[*:1])c2c(C)c(C)c(=O)oc2c1
Cc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c2c(C)c(C)c(=O)oc2c1 Clc1ccc(cc1)[*:1] Cc1cc(OCC(=O)N[C@@H](C[*:1])C(=O)[O-])c2c(C)c(C)c(=O)oc2c1
Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC1CCCCC1 FC(F)(F)[*:1] Cc1c(Br)c(nn1[C@@H](C)C(=O)NC1CCCCC1)[*:1]
Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1c(Br)c(nn1[C@@H](C)C(=O)N[*:1])C(F)(F)F
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@H](C)NC3=NS(=O)(=O)c4ccccc43)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(CC1)S(=O)(=O)[*:1]
CO[C@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 Cc1ccccc1C(=O)[*:1] CO[C@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@H](O1)[C@H](O)[*:1]
CO[C@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 Cc1ccccc1C(=O)[*:1] CO[C@H]1C[C@@](O)([C@H](O1)[C@H](O)C(=O)c1ccccc1C)[*:1]
CO[C@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 Cc1ccccc1[*:1] CO[C@H]1C[C@@](O)(C(=O)[*:1])[C@H](O1)[C@H](O)C(=O)c1ccccc1C
CO[C@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 Cc1ccccc1[*:1] CO[C@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@H](O1)[C@H](O)C(=O)[*:1]
O=C1NC[C@@]2(CCC(=O)N(CC(=O)N3CCS(=O)(=O)CC3)CC2)Oc2ccccc21 O=C(N1CCS(=O)(=O)CC1)[*:1] O=C1NC[C@@]2(CCC(=O)N(CC2)C[*:1])Oc2ccccc21
CC[C@H]1CN(C(=O)N[C@@H](C)c2cn(C)nc2C)CC[C@H]1c1ccccc1 Cc1nn(C)cc1[*:1] CC[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)N[C@@H](C)[*:1]
CC[C@H]1CN(C(=O)N[C@@H](C)c2cn(C)nc2C)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@@H]1[*:1])C(=O)N[C@@H](C)c1cn(C)nc1C
CCCC1(CCC)C[NH+]([C@H]2CCC[C@@H](C(=O)[O-])C2)C1 CCC[*:1] CCCC1(C[NH+](C1)[C@H]1CCC[C@H](C1)C(=O)[O-])[*:1]
CCCC1(CCC)C[NH+]([C@H]2CCC[C@@H](C(=O)[O-])C2)C1 O=C([O-])[*:1] CCCC1(CCC)C[NH+](C1)[C@H]1CCC[C@@H](C1)[*:1]
COCCOc1ccc(NC(=O)Cc2c(F)cccc2F)cc1 COC[*:1] O=C(Cc1c(F)cccc1F)Nc1ccc(cc1)OC[*:1]
COCCOc1ccc(NC(=O)Cc2c(F)cccc2F)cc1 COCCO[*:1] O=C(Cc1c(F)cccc1F)Nc1ccc(cc1)[*:1]
COCCOc1ccc(NC(=O)Cc2c(F)cccc2F)cc1 COCC[*:1] O=C(Cc1c(F)cccc1F)Nc1ccc(cc1)O[*:1]
CC(C)(CO)CCCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 CC(C)(CO)[*:1] O=C(NCCC[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
CC(C)(CO)CCCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 CC(C)(CO)CC[*:1] O=C(NC[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
CC(C)(CO)CCCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CC(C)(CO)CCCNC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CC(C)(CO)CCCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 CC(C)(CO)C[*:1] O=C(NCC[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
CCCCn1c([O-])c(C(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)c(C#N)c1=O Fc1ccc(cc1)O[*:1] CCCCn1c([O-])c(C(=O)[C@@H](C)[*:1])c(C)c(C#N)c1=O
CCCCn1c([O-])c(C(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)c(C#N)c1=O Fc1ccc(cc1)[*:1] CCCCn1c([O-])c(C(=O)[C@@H](C)O[*:1])c(C)c(C#N)c1=O
CCCCn1c([O-])c(C(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)c(C#N)c1=O CCCC[*:1] Cc1c(C(=O)[C@@H](C)Oc2ccc(F)cc2)c([O-])n(c(=O)c1C#N)[*:1]
CCCCn1c([O-])c(C(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)c(C#N)c1=O CCC[*:1] Cc1c(C(=O)[C@@H](C)Oc2ccc(F)cc2)c([O-])n(C[*:1])c(=O)c1C#N
O=C(NCc1csc(C2CC2)n1)N1C[C@H]2CCCC[C@H]2C1 C1CC1[*:1] O=C(NCc1csc(n1)[*:1])N1C[C@H]2CCCC[C@H]2C1
C[C@H]1CN(C(=O)CNC(=O)c2ccc(F)cc2F)c2ccccc21 Fc1ccc(c(F)c1)[*:1] C[C@H]1CN(C(=O)CNC(=O)[*:1])c2ccccc21
CCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 O=[N+]([O-])c1ccc(cc1)[*:1] CCSc1nnc2-c3ccccc3N(C(C)=O)[C@H](Oc2n1)[*:1]
CCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 CCS[*:1] CC(=O)N1c2ccccc2-c2nnc(nc2O[C@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
CCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 O=[N+]([O-])[*:1] CCSc1nnc2-c3ccccc3N(C(C)=O)[C@@H](Oc2n1)c1ccc(cc1)[*:1]
[NH3+]Cc1cc(C(F)(F)F)cnc1Cl FC(F)(F)[*:1] [NH3+]Cc1cc(cnc1Cl)[*:1]
Cc1csc(C[NH+]2CCC(CC(N)=O)CC2)n1 NC(=O)C[*:1] Cc1csc(C[NH+]2CCC(CC2)[*:1])n1
Cc1csc(C[NH+]2CCC(CC(N)=O)CC2)n1 NC(=O)[*:1] Cc1csc(C[NH+]2CCC(CC2)C[*:1])n1
O=C(CN1C(=O)COc2cccnc21)N(CC1CCC1)C[C@@H]1CCCO1 C1CC(C1)[*:1] O=C(CN1C(=O)COc2cccnc21)N(C[C@@H]1CCCO1)C[*:1]
O=C(CN1C(=O)COc2cccnc21)N(CC1CCC1)C[C@@H]1CCCO1 C1CC(C1)C[*:1] O=C1COc2cccnc2N1CC(=O)N(C[C@@H]1CCCO1)[*:1]
O=C(CN1C(=O)COc2cccnc21)N(CC1CCC1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C1COc2cccnc2N1CC(=O)N(CC1CCC1)[*:1]
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Br)C(=O)C2 O=[N+]([O-])[*:1] CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc(ccc1Br)[*:1])C(=O)C2
Cc1cc2c(cc1C)O[C@@H](C(=O)NCCC(=O)N(C)C)C2 CN(C)C(=O)CC[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCCC(=O)N(C)C)C2 CN(C)C(=O)C[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NC[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCCC(=O)N(C)C)C2 CN(C)C(=O)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NCC[*:1]
C[C@@H](C(=O)Nc1ccnc(C(=O)N(C)C)c1)c1ccc2ccccc2c1 CN(C)C(=O)[*:1] C[C@@H](C(=O)Nc1ccnc(c1)[*:1])c1ccc2ccccc2c1
CC(C)C(=O)NC(NC(=O)C(C)C)c1cc(Br)ccc1F CC(C)C(=O)N[*:1] CC(C)C(=O)NC(c1cc(Br)ccc1F)[*:1]
CC(C)C(=O)NC(NC(=O)C(C)C)c1cc(Br)ccc1F CC(C)[*:1] CC(C)C(=O)NC(NC(=O)[*:1])c1cc(Br)ccc1F
NC(=O)Nc1ccc(CNC(=O)c2ccc(F)cc2)cc1 NC(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(F)cc1
NC(=O)Nc1ccc(CNC(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] NC(=O)Nc1ccc(cc1)CNC(=O)[*:1]
CCN(C(=O)[C@H]1CCCO1)c1ccc(C[NH3+])cc1 C1CO[C@H](C1)[*:1] CCN(C(=O)[*:1])c1ccc(cc1)C[NH3+]
CCCCSc1nc(-c2cccc(OC)c2)nc2c1Cc1c(CO)cnc(C)c1O2 CCCC[*:1] COc1cccc(c1)-c1nc2Oc3c(C)ncc(CO)c3Cc2c(n1)S[*:1]
CCCCSc1nc(-c2cccc(OC)c2)nc2c1Cc1c(CO)cnc(C)c1O2 CCC[*:1] COc1cccc(c1)-c1nc2Oc3c(C)ncc(CO)c3Cc2c(n1)SC[*:1]
CCCCSc1nc(-c2cccc(OC)c2)nc2c1Cc1c(CO)cnc(C)c1O2 COc1cccc(c1)[*:1] CCCCSc1nc(nc2Oc3c(C)ncc(CO)c3Cc21)[*:1]
CCCCSc1nc(-c2cccc(OC)c2)nc2c1Cc1c(CO)cnc(C)c1O2 CCCCS[*:1] COc1cccc(c1)-c1nc2Oc3c(C)ncc(CO)c3Cc2c(n1)[*:1]
COc1ccc(C(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1Cl Cc1nnc2sc(nn12)[*:1] COc1ccc(cc1Cl)C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(C(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1nnc2sc(nn12)-c1ccc(cc1)CNC(=O)[*:1]
COC(=O)c1cc(C)ccc1Oc1cc(=O)n(C)c(=O)n1C COC(=O)[*:1] Cc1ccc(Oc2cc(=O)n(C)c(=O)n2C)c(c1)[*:1]
Cc1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)ccc1F Cc1cc(ccc1F)[*:1] C[NH+]1CCN(CC1)c1ncccc1C[NH2+]C[*:1]
CCCn1c(SCc2nc(-c3ccccc3OC)no2)n[nH]c1=O CCC[*:1] COc1ccccc1-c1noc(CSc2n[nH]c(=O)n2[*:1])n1
CCCn1c(SCc2nc(-c3ccccc3OC)no2)n[nH]c1=O COc1ccccc1[*:1] CCCn1c(n[nH]c1=O)SCc1nc(no1)[*:1]
O=C(c1cccc(Br)c1)N1CCN=C1SCc1cccnc1 c1cncc(c1)C[*:1] O=C(c1cccc(Br)c1)N1CCN=C1S[*:1]
O=C(c1cccc(Br)c1)N1CCN=C1SCc1cccnc1 c1cncc(c1)[*:1] O=C(c1cccc(Br)c1)N1CCN=C1SC[*:1]
O=C(c1cccc(Br)c1)N1CCN=C1SCc1cccnc1 Brc1cccc(c1)[*:1] O=C(N1CCN=C1SCc1cccnc1)[*:1]
Cc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccnc3)nc2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](NC(=O)Nc1ccc(nc1)Oc1cccnc1)[*:1]
Cc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccnc3)nc2)cc1F c1cncc(c1)O[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)Nc1ccc(nc1)[*:1]
Cc1ccc([C@H](C)NC(=O)Nc2ccc(Oc3cccnc3)nc2)cc1F c1cncc(c1)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)Nc1ccc(nc1)O[*:1]
CON(C)C(=O)C[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 CON(C)C(=O)[*:1] C[C@@H]1CC(C)(C)C[C@](CO)(C1)[NH2+]C[*:1]
CN(CCC(F)(F)F)c1cc[nH+]c2ccsc12 FC(F)(F)C[*:1] CN(C[*:1])c1cc[nH+]c2ccsc12
CN(CCC(F)(F)F)c1cc[nH+]c2ccsc12 FC(F)(F)[*:1] CN(CC[*:1])c1cc[nH+]c2ccsc12
C[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1N(C)C CN(C)[*:1] C[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1N(C)C C[C@H]1C[C@@H]1[*:1] CN(C)c1ccc(Cl)cc1NC(=O)[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1cn(-c2ccc(F)cc2)nn1 Fc1ccc(cc1)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1cn(nn1)[*:1]
COc1ccc(C2=[NH+]CN(c3ccc(C)cc3)C(=S)N2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C1NC(=S)N(C[NH+]=1)[*:1]
Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)C2CC2)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)[C@@H]1CC(=NN1C(=O)CN(C)C(=O)C1CC1)[*:1]
Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)C2CC2)cc1 CN(C[*:1])C(=O)C1CC1 Cc1ccc(cc1)[C@@H]1CC(=NN1C(=O)[*:1])c1ccc(C)c(C)c1
Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)C2CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)C1C[C@H](N(N=1)C(=O)CN(C)C(=O)C1CC1)[*:1]
Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)C2CC2)cc1 CN(C(=O)C1CC1)[*:1] Cc1ccc(cc1)[C@@H]1CC(=NN1C(=O)C[*:1])c1ccc(C)c(C)c1
Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]1CC(=NN1C(=O)CN(C)C(=O)[*:1])c1ccc(C)c(C)c1
C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 C[NH+](C)CCNC(=O)[*:1] CC1(C)Cc2cccc(C[NH+]3CCC(CC3)[*:1])c2O1
COCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCCC1)CC2 C1CCC(CC1)C[*:1] COCC(=O)N1CCC[C@H]1c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
COCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCCC1)CC2 C1CCC(CC1)[*:1] COCC(=O)N1CCC[C@H]1c1nc2CCN(Cc2c(=O)[nH]1)C(=O)C[*:1]
COCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCCC1)CC2 COC[*:1] O=C(CC1CCCCC1)N1CCc2nc([nH]c(=O)c2C1)[C@@H]1CCCN1C(=O)[*:1]
COC(=O)c1cccc(C[NH2+][C@]2(CO)CCc3ccccc32)c1 COC(=O)[*:1] OC[C@]1(CCc2ccccc21)[NH2+]Cc1cccc(c1)[*:1]
COC[C@H](C)[NH2+]CCC(=O)Nc1ccc(C)cc1Cl COC[*:1] Cc1ccc(NC(=O)CC[NH2+][C@@H](C)[*:1])c(Cl)c1
COc1cc(C(=O)Nc2ccc3nc(C)n(Cc4ccccc4)c(=O)c3c2)cc(OC)c1OC c1ccc(cc1)C[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1ccc2nc(C)n(c(=O)c2c1)[*:1]
COc1cc(C(=O)Nc2ccc3nc(C)n(Cc4ccccc4)c(=O)c3c2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1ccc2nc(C)n(C[*:1])c(=O)c2c1
Cc1csc([C@H]2CN(Cc3cn(C)nc3C(C)C)CCO2)n1 CC(C)[*:1] Cc1csc(n1)[C@H]1CN(CCO1)Cc1cn(C)nc1[*:1]
Cc1csc([C@H]2CN(Cc3cn(C)nc3C(C)C)CCO2)n1 Cc1csc(n1)[*:1] CC(C)c1nn(C)cc1CN1CCO[C@H](C1)[*:1]
Nc1cc(-c2c[nH]nc2[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccn1 c1ccc(cc1)[*:1] Nc1cc(ccn1)-c1c[nH]nc1[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Nc1cc(-c2c[nH]nc2[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccn1 Nc1cc(ccn1)[*:1] O=S(=O)(c1ccccc1)N1CCC[C@@H](C1)c1n[nH]cc1[*:1]
C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1F Fc1ccccc1[*:1] C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1[*:1]
C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1F C=CC[*:1] CC1N=C2S[C@H](C)C(=O)N2[C@H](C=1C(=O)O[*:1])c1ccccc1F
C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1F C=CCOC(=O)[*:1] CC1N=C2S[C@H](C)C(=O)N2[C@H](C=1[*:1])c1ccccc1F
CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)c1 CC(=O)[*:1] O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cccc(c1)[*:1]
CC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)n(C)c1 CC(=O)[*:1] Cn1cc(cc1C(=O)Nc1ccc(Cl)cc1)[*:1]
C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(N3CCCC3=O)c(Cl)c1)CS2 O=C1CCCN1[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCOc1ccc(N2C(=O)/C(=C\c3cccc(C)c3)NC2=S)cc1 CCO[*:1] Cc1cccc(/C=C2/NC(=S)N(C2=O)c2ccc(cc2)[*:1])c1
CCOc1ccc(N2C(=O)/C(=C\c3cccc(C)c3)NC2=S)cc1 Cc1cccc(c1)[*:1] CCOc1ccc(cc1)N1C(=O)C(=C[*:1])NC1=S
CC(=O)N1CCC(CCC(=O)N(C)C2CCC2)CC1 C1CC(C1)[*:1] CC(=O)N1CCC(CCC(=O)N(C)[*:1])CC1
Cc1nnc(-c2ccc(NC(=O)NC[C@@H](O)c3ccsc3)cc2)o1 Cc1nnc(o1)[*:1] O=C(NC[C@@H](O)c1ccsc1)Nc1ccc(cc1)[*:1]
Cc1nnc(-c2ccc(NC(=O)NC[C@@H](O)c3ccsc3)cc2)o1 c1cc(cs1)[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)NC[C@@H](O)[*:1]
CNC(=O)c1ccc(Cl)cc1NC(=O)CCc1cccc(F)c1 CNC(=O)[*:1] O=C(CCc1cccc(F)c1)Nc1cc(Cl)ccc1[*:1]
CNC(=O)c1ccc(Cl)cc1NC(=O)CCc1cccc(F)c1 Fc1cccc(c1)[*:1] CNC(=O)c1ccc(Cl)cc1NC(=O)CC[*:1]
CNC(=O)c1ccc(Oc2ccc3c(c2)CC[NH+](C2CCC2)CC3)nc1 C1CC(C1)[*:1] CNC(=O)c1ccc(nc1)Oc1ccc2CC[NH+](CCc2c1)[*:1]
CNC(=O)c1ccc(Oc2ccc3c(c2)CC[NH+](C2CCC2)CC3)nc1 CNC(=O)[*:1] c1cc2CC[NH+](CCc2cc1Oc1ccc(cn1)[*:1])C1CCC1
CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCC(=O)N1CCN([C@H]1[*:1])S(=O)(=O)c1ccc(C)cc1
CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 Cc1ccc(cc1)[*:1] CCC(=O)N1CCN([C@@H]1c1ccccc1)S(=O)(=O)[*:1]
CC(=O)NCc1ccc(C(=O)Nc2nccs2)cc1 CC(=O)N[*:1] O=C(Nc1nccs1)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(C(=O)Nc2nccs2)cc1 CC(=O)NC[*:1] O=C(Nc1nccs1)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] CC(=O)NCc1ccc(cc1)C(=O)N[*:1]
C[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)NC1CCCCC1)[*:1]
C[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1ccnc(Cl)c1 C1CCC(CC1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)N[*:1])c1ccnc(Cl)c1
C[NH2+][C@H](c1ccc2c(c1)CCCC(=O)N2)c1cscc1C Cc1cscc1[*:1] C[NH2+][C@H](c1ccc2NC(=O)CCCc2c1)[*:1]
O=C(/C=C/c1ccc(O)c(Cl)c1)c1cccnc1 c1cncc(c1)[*:1] O=C(/C=C/c1ccc(O)c(Cl)c1)[*:1]
COc1ccc(Cl)c(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)c1 COc1ccc(Cl)c(c1)[*:1] O=C(N[*:1])C(=O)N1CCO[C@H](C1)c1ccccc1F
COc1ccc(Cl)c(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)c1 Fc1ccccc1[*:1] COc1ccc(Cl)c(c1)NC(=O)C(=O)N1CCO[C@@H](C1)[*:1]
COCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)CC1 COC[*:1] Cc1sc(cc1-c1ccc(F)cc1)C(=O)N1CCC(CC1)[*:1]
COCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)CC1 Fc1ccc(cc1)[*:1] COCC1CCN(CC1)C(=O)c1cc(c(C)s1)[*:1]
Cc1ccccc1NC(=O)Cc1nc(Cn2nnc(-c3ccccc3)n2)cs1 Cc1ccccc1[*:1] O=C(Cc1nc(cs1)Cn1nnc(n1)-c1ccccc1)N[*:1]
Cc1ccccc1NC(=O)Cc1nc(Cn2nnc(-c3ccccc3)n2)cs1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)Cc1nc(cs1)Cn1nnc(n1)[*:1]
COc1cccc(C(=O)Nc2cccnc2-c2ccccc2)c1F c1ccc(cc1)[*:1] COc1cccc(C(=O)Nc2cccnc2[*:1])c1F
CCn1ccnc(N[C@@H]2CCCN(c3cccc(OC)c3)C2)c1=O COc1cccc(c1)[*:1] CCn1ccnc(N[C@@H]2CCCN(C2)[*:1])c1=O
CCC1(CC)NC(=O)N(C[C@H](O)COc2c(Cl)cccc2Cl)C1=O Clc1cccc(Cl)c1[*:1] CCC1(CC)NC(=O)N(C[C@H](O)CO[*:1])C1=O
COc1ccc(C(=O)N2CCc3nc(NC(C)=O)sc3C2)cc1OC CC(=O)N[*:1] COc1ccc(cc1OC)C(=O)N1CCc2nc(sc2C1)[*:1]
COC(=O)c1cncc(NCc2nccs2)n1 c1csc(n1)[*:1] COC(=O)c1cncc(n1)NC[*:1]
COC(=O)c1cncc(NCc2nccs2)n1 COC(=O)[*:1] c1csc(CNc2cncc(n2)[*:1])n1
[O-]c1cc(C[NH2+]Cc2ccccc2)nc2nc(NCc3cccs3)nn12 c1csc(c1)CN[*:1] [O-]c1cc(C[NH2+]Cc2ccccc2)nc2nc(nn12)[*:1]
[O-]c1cc(C[NH2+]Cc2ccccc2)nc2nc(NCc3cccs3)nn12 c1ccc(cc1)[*:1] [O-]c1cc(C[NH2+]C[*:1])nc2nc(nn12)NCc1cccs1
[O-]c1cc(C[NH2+]Cc2ccccc2)nc2nc(NCc3cccs3)nn12 c1csc(c1)[*:1] [O-]c1cc(C[NH2+]Cc2ccccc2)nc2nc(nn12)NC[*:1]
[O-]c1cc(C[NH2+]Cc2ccccc2)nc2nc(NCc3cccs3)nn12 c1ccc(cc1)C[*:1] [O-]c1cc(C[NH2+][*:1])nc2nc(nn12)NCc1cccs1
[O-]c1cc(C[NH2+]Cc2ccccc2)nc2nc(NCc3cccs3)nn12 c1csc(c1)C[*:1] [O-]c1cc(C[NH2+]Cc2ccccc2)nc2nc(nn12)N[*:1]
[O-]c1cc(C[NH2+]Cc2ccccc2)nc2nc(NCc3cccs3)nn12 c1ccc(cc1)C[NH2+][*:1] [O-]c1cc(C[*:1])nc2nc(nn12)NCc1cccs1
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)c1c[nH]nc1[*:1]
NC(=O)c1ccc(NC(=O)C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1cccs1
NC(=O)c1ccc(NC(=O)C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1 c1csc(c1)[*:1] NC(=O)c1ccc(cc1)NC(=O)C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)[*:1]
NC(=O)c1ccc(NC(=O)C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(Nc1ccc2CCCN(c2c1)S(=O)(=O)c1cccs1)C(=O)N[*:1]
CCOC(=O)C1(c2nc([C@H]3CC[C@H](C)C3)no2)CCCC1 C[C@H]1CC[C@@H](C1)[*:1] CCOC(=O)C1(CCCC1)c1nc(no1)[*:1]
CCOC(=O)C1(c2nc([C@H]3CC[C@H](C)C3)no2)CCCC1 CCOC(=O)[*:1] C[C@H]1CC[C@@H](C1)c1noc(n1)C1(CCCC1)[*:1]
O=S(=O)(/N=C([O-])/C=C/c1ccnc(Cl)c1)c1ccccc1F Fc1ccccc1[*:1] O=S(=O)(/N=C([O-])/C=C/c1ccnc(Cl)c1)[*:1]
O=S(=O)(/N=C([O-])/C=C/c1ccnc(Cl)c1)c1ccccc1F Clc1cc(ccn1)[*:1] O=S(=O)(/N=C(\[O-])C=C[*:1])c1ccccc1F
O=C(CSc1ncnc2c1[nH]c1ccc(F)cc12)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CSc1ncnc2c1[nH]c1ccc(F)cc12)N1CCN(CC1)[*:1]
Cc1nc2c(ccc3nc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)sc32)s1 C1CN(CCO1)[*:1] Cc1nc2c(ccc3nc(NC(=O)c4ccc(c(c4)[N+](=O)[O-])[*:1])sc32)s1
Cc1nc2c(ccc3nc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)sc32)s1 O=[N+]([O-])[*:1] Cc1nc2c(ccc3nc(NC(=O)c4ccc(c(c4)[*:1])N4CCOCC4)sc32)s1
Cc1cc(-c2c(-c3ccccc3)ncn2CCNc2ccccc2)[nH]n1 c1ccc(cc1)NC[*:1] Cc1cc([nH]n1)-c1c(ncn1C[*:1])-c1ccccc1
Cc1cc(-c2c(-c3ccccc3)ncn2CCNc2ccccc2)[nH]n1 c1ccc(cc1)[*:1] Cc1cc([nH]n1)-c1c(ncn1CCNc1ccccc1)[*:1]
Cc1cc(-c2c(-c3ccccc3)ncn2CCNc2ccccc2)[nH]n1 c1ccc(cc1)N[*:1] Cc1cc([nH]n1)-c1c(ncn1CC[*:1])-c1ccccc1
Cc1cc(-c2c(-c3ccccc3)ncn2CCNc2ccccc2)[nH]n1 c1ccc(cc1)[*:1] Cc1cc([nH]n1)-c1c(ncn1CCN[*:1])-c1ccccc1
COc1ccc(CN[C@H](c2ccccc2)c2n[nH]c(C)n2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)CN[C@H](c1n[nH]c(C)n1)[*:1]
COc1ccc(CN[C@H](c2ccccc2)c2n[nH]c(C)n2)cc1F Cc1nc(n[nH]1)[*:1] COc1ccc(cc1F)CN[C@H](c1ccccc1)[*:1]
CCc1ncc(NC(=O)NCc2ccnc(OCC(F)F)c2)cn1 FC(F)CO[*:1] CCc1ncc(cn1)NC(=O)NCc1ccnc(c1)[*:1]
CCc1ncc(NC(=O)NCc2ccnc(OCC(F)F)c2)cn1 FC(F)[*:1] CCc1ncc(cn1)NC(=O)NCc1ccnc(c1)OC[*:1]
CCc1ncc(NC(=O)NCc2ccnc(OCC(F)F)c2)cn1 FC(F)C[*:1] CCc1ncc(cn1)NC(=O)NCc1ccnc(c1)O[*:1]
CCc1ncc(NC(=O)NCc2ccnc(OCC(F)F)c2)cn1 CCc1ncc(cn1)[*:1] O=C(NCc1ccnc(c1)OCC(F)F)N[*:1]
CCNC(=O)C[C@H]1C(=O)N(c2cccc(C)c2)C(=O)N1CCC(C)C CCNC(=O)[*:1] Cc1cccc(c1)N1C(=O)[C@H](C[*:1])N(CCC(C)C)C1=O
CCNC(=O)C[C@H]1C(=O)N(c2cccc(C)c2)C(=O)N1CCC(C)C CC(C)C[*:1] CCNC(=O)C[C@H]1C(=O)N(C(=O)N1C[*:1])c1cccc(C)c1
CCNC(=O)C[C@H]1C(=O)N(c2cccc(C)c2)C(=O)N1CCC(C)C CCNC(=O)C[*:1] Cc1cccc(c1)N1C(=O)[C@@H](N(CCC(C)C)C1=O)[*:1]
CCNC(=O)C[C@H]1C(=O)N(c2cccc(C)c2)C(=O)N1CCC(C)C Cc1cccc(c1)[*:1] CCNC(=O)C[C@H]1C(=O)N(C(=O)N1CCC(C)C)[*:1]
CCNC(=O)C[C@H]1C(=O)N(c2cccc(C)c2)C(=O)N1CCC(C)C CC(C)[*:1] CCNC(=O)C[C@H]1C(=O)N(C(=O)N1CC[*:1])c1cccc(C)c1
CCNC(=O)C[C@H]1C(=O)N(c2cccc(C)c2)C(=O)N1CCC(C)C CC(C)CC[*:1] CCNC(=O)C[C@H]1C(=O)N(C(=O)N1[*:1])c1cccc(C)c1
CCc1nnc(Cl)n1CC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] CCc1nnc(Cl)n1CC(C)(C)[*:1]
Cc1ccc(C(=O)Nc2c(C)cnn2-c2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc1c(C)cnn1[*:1]
Cc1ccc(C(=O)Nc2c(C)cnn2-c2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1c(C)cnn1-c1ccccc1
C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccccc1O Oc1ccccc1[*:1] C[C@@H](CC(=O)c1ccccc1)NC(=O)[*:1]
C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccccc1O c1ccc(cc1)[*:1] C[C@@H](CC(=O)[*:1])NC(=O)c1ccccc1O
CCCC[C@H]([NH2+]Cc1cscc1C)c1ccc(F)cc1 Cc1cscc1[*:1] CCCC[C@H]([NH2+]C[*:1])c1ccc(F)cc1
CCCC[C@H]([NH2+]Cc1cscc1C)c1ccc(F)cc1 CCC[*:1] Cc1cscc1C[NH2+][C@@H](C[*:1])c1ccc(F)cc1
CCCC[C@H]([NH2+]Cc1cscc1C)c1ccc(F)cc1 CCCC[*:1] Cc1cscc1C[NH2+][C@H](c1ccc(F)cc1)[*:1]
CC(C)(C)c1ccccc1NC(=O)c1ncn[n-]1 CC(C)(C)[*:1] O=C(Nc1ccccc1[*:1])c1ncn[n-]1
CC[NH2+]Cc1cc(=O)[nH]c([C@H]2CN(C(C)C)CCO2)n1 CC(C)[*:1] CC[NH2+]Cc1cc(=O)[nH]c(n1)[C@H]1CN(CCO1)[*:1]
O=C(c1ccccn1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F O=[N+]([O-])[*:1] O=C(c1ccccn1)N(Cc1ccccc1[*:1])CC(F)(F)F
O=C(c1ccccn1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F c1ccc(nc1)[*:1] O=C(N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)[*:1]
O=C(c1ccccn1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F FC(F)(F)[*:1] O=C(c1ccccn1)N(Cc1ccccc1[N+](=O)[O-])C[*:1]
O=C(c1ccccn1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F FC(F)(F)C[*:1] O=C(c1ccccn1)N(Cc1ccccc1[N+](=O)[O-])[*:1]
CCc1cnc(CCNC(=O)C(=O)Nc2cccc3cnccc23)s1 CCc1cnc(C[*:1])s1 O=C(NC[*:1])C(=O)Nc1cccc2cnccc12
CCc1cnc(CCNC(=O)C(=O)Nc2cccc3cnccc23)s1 CCc1cnc(s1)[*:1] O=C(NCC[*:1])C(=O)Nc1cccc2cnccc12
CCNc1cc[nH+]c(CN2CCC[C@H](C(N)=O)C2)c1 CCN[*:1] NC(=O)[C@H]1CCCN(Cc2cc(cc[nH+]2)[*:1])C1
CCNc1cc[nH+]c(CN2CCC[C@H](C(N)=O)C2)c1 NC(=O)[*:1] CCNc1cc[nH+]c(c1)CN1CCC[C@H](C1)[*:1]
CCc1nn(C)c(OC)c1CN(C)CCc1cccs1 c1csc(c1)[*:1] CCc1nn(C)c(OC)c1CN(C)CC[*:1]
CCc1nn(C)c(OC)c1CN(C)CCc1cccs1 c1csc(c1)C[*:1] CCc1nn(C)c(OC)c1CN(C)C[*:1]
O=C(COc1cccc(C(=O)[O-])c1)NCCc1cccs1 c1csc(c1)C[*:1] O=C(COc1cccc(c1)C(=O)[O-])NC[*:1]
O=C(COc1cccc(C(=O)[O-])c1)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(COc1cccc(c1)C(=O)[O-])N[*:1]
O=C(COc1cccc(C(=O)[O-])c1)NCCc1cccs1 O=C([O-])[*:1] O=C(COc1cccc(c1)[*:1])NCCc1cccs1
O=C(COc1cccc(C(=O)[O-])c1)NCCc1cccs1 c1csc(c1)[*:1] O=C(COc1cccc(c1)C(=O)[O-])NCC[*:1]
Cc1cc(C(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(NC[C@H](O)COc1cccc(c1)C(F)(F)F)[*:1]
Cc1cc(C(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)c(C)s1 FC(F)(F)[*:1] Cc1cc(C(=O)NC[C@H](O)COc2cccc(c2)[*:1])c(C)s1
C=CCN(CC=C)C(=O)N[C@H]1CCCC[C@@H]1[S@](=O)CC CC[S@@](=O)[*:1] C=CCN(CC=C)C(=O)N[C@H]1CCCC[C@H]1[*:1]
C=CCN(CC=C)C(=O)N[C@H]1CCCC[C@@H]1[S@](=O)CC C=CC[*:1] C=CCN(C(=O)N[C@H]1CCCC[C@@H]1[S@](=O)CC)[*:1]
Cc1noc(NC(=O)C[C@H](C)CCc2ccccc2)n1 Cc1noc(n1)[*:1] C[C@H](CCc1ccccc1)CC(=O)N[*:1]
Cc1noc(NC(=O)C[C@H](C)CCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)NC(=O)C[C@H](C)CC[*:1]
Cc1nc(C2CCN(c3nc(C(C)C)ns3)CC2)n[nH]1 CC(C)[*:1] Cc1nc(n[nH]1)C1CCN(CC1)c1nc(ns1)[*:1]
Cc1nc(C2CCN(c3nc(C(C)C)ns3)CC2)n[nH]1 Cc1nc(n[nH]1)[*:1] CC(C)c1nsc(n1)N1CCC(CC1)[*:1]
COc1ccc(CCn2ccc3nc4nc(C)nn4c(-c4ccccc4OC)c3c2=O)cc1 COc1ccccc1[*:1] COc1ccc(cc1)CCn1ccc2nc3nc(C)nn3c(c2c1=O)[*:1]
COc1ccc(CCn2ccc3nc4nc(C)nn4c(-c4ccccc4OC)c3c2=O)cc1 COc1ccc(cc1)[*:1] COc1ccccc1-c1c2c(=O)n(ccc2nc2nc(C)nn12)CC[*:1]
COc1ccc(CCn2ccc3nc4nc(C)nn4c(-c4ccccc4OC)c3c2=O)cc1 COc1ccc(cc1)C[*:1] COc1ccccc1-c1c2c(=O)n(ccc2nc2nc(C)nn12)C[*:1]
COc1ccc(CCn2ccc3nc4nc(C)nn4c(-c4ccccc4OC)c3c2=O)cc1 COc1ccc(cc1)CC[*:1] COc1ccccc1-c1c2c(=O)n(ccc2nc2nc(C)nn12)[*:1]
CCC[C@@H]1CCC[C@@](O)([C@]2(C[NH3+])CC[C@H](CC)C2)CC1 CCC[*:1] CC[C@H]1CC[C@](C[NH3+])(C1)[C@]1(O)CCC[C@H](CC1)[*:1]
Cc1cccc2[nH]c(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3ccc(F)cc3)cc12 Fc1ccc(cc1)[*:1] Cc1cccc2[nH]c(cc12)C(=O)N1CCC[C@]2(CCC(=O)N2)[C@@H]1[*:1]
Cc1cccc2[nH]c(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3ccc(F)cc3)cc12 Cc1cccc2[nH]c(cc12)[*:1] O=C1CC[C@]2(CCCN(C(=O)[*:1])[C@@H]2c2ccc(F)cc2)N1
CCn1nc(C)c(NC(=O)NC[C@H](O)C(C)(C)C)c1C CC(C)(C)[*:1] CCn1nc(C)c(NC(=O)NC[C@H](O)[*:1])c1C
CCn1nc(C)c(NC(=O)NC[C@H](O)C(C)(C)C)c1C CC(C)(C)[C@@H](O)[*:1] CCn1nc(C)c(NC(=O)NC[*:1])c1C
COc1cc(OC)cc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)c1 Fc1ccc(cc1)[*:1] COc1cc(cc(c1)-c1noc(Cn2ccn3nc(cc3c2=O)[*:1])n1)OC
COc1cc(OC)cc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)n2)c1 COc1cc(cc(c1)[*:1])OC O=c1c2cc(nn2ccn1Cc1nc(no1)[*:1])-c1ccc(F)cc1
Cn1c(C2CC2)nc2cc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3CO)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO)[*:1]
CCc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)s1 CCc1nnc(s1)[*:1] O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)N[*:1]
CCc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCc1nnc(NC(=O)CSc2ncnc3c2cnn3[*:1])s1
C[C@@H](CC(=O)[O-])S(=O)(=O)C[C@H]1Cc2ccccc2S1 O=C([O-])C[*:1] C[C@@H](S(=O)(=O)C[C@H]1Cc2ccccc2S1)[*:1]
C[C@@H](CC(=O)[O-])S(=O)(=O)C[C@H]1Cc2ccccc2S1 O=C([O-])[*:1] C[C@@H](C[*:1])S(=O)(=O)C[C@H]1Cc2ccccc2S1
Cc1cc(C)c2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)sc2c1 O=C([O-])[*:1] Cc1cc(C)c2nc([N-]S(=O)(=O)c3cc(ccc3Cl)[*:1])sc2c1
O=C(Nc1cccnc1Cl)N[C@H]1CCc2cc(Cl)ccc21 Clc1ncccc1[*:1] O=C(N[C@H]1CCc2cc(Cl)ccc21)N[*:1]
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] C[C@H](OC(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1)[*:1]
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccccc1 c1coc(c1)C[*:1] C[C@H](OC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])C(=O)Nc1ccccc1
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccccc1 c1coc(c1)[*:1] C[C@H](OC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1)C(=O)Nc1ccccc1
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](OC(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1)C(=O)N[*:1]
O=[N+]([O-])c1cc(/C=N/NC(=S)Nc2ccccc2)ccc1Cl c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(/C=N/NC(=S)N[*:1])ccc1Cl
O=[N+]([O-])c1cc(/C=N/NC(=S)Nc2ccccc2)ccc1Cl O=[N+]([O-])[*:1] S=C(N/N=C/c1ccc(Cl)c(c1)[*:1])Nc1ccccc1
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccccc2Cl)C1=O Clc1ccccc1C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccccc2Cl)C1=O Clc1ccccc1[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccccc2Cl)C1=O O=[N+]([O-])[*:1] C[C@]1(NC(=O)N(Cc2ccccc2Cl)C1=O)c1ccc(cc1)[*:1]
CS[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(-n2ccnc2C)nc1 Cc1nccn1[*:1] CS[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(nc1)[*:1]
CCCCC[C@H](O)C[NH+](C)C CCC[*:1] C[NH+](C)C[C@@H](O)CC[*:1]
O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NC[C@@](O)(c1ccccc1)C1CC1)[*:1]
O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1ccncc1 C1CC1[*:1] O=C(NC[C@@](O)(c1ccccc1)[*:1])c1ccncc1
O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1ccncc1 c1ccc(cc1)[*:1] O=C(NC[C@@](O)(C1CC1)[*:1])c1ccncc1
CN(c1ccccc1C[NH+](CC(N)=O)C(C)(C)C)C1CC[NH+](C)CC1 NC(=O)C[*:1] CN(c1ccccc1C[NH+](C(C)(C)C)[*:1])C1CC[NH+](C)CC1
CN(c1ccccc1C[NH+](CC(N)=O)C(C)(C)C)C1CC[NH+](C)CC1 CC(C)(C)[*:1] CN(c1ccccc1C[NH+](CC(N)=O)[*:1])C1CC[NH+](C)CC1
CN(c1ccccc1C[NH+](CC(N)=O)C(C)(C)C)C1CC[NH+](C)CC1 NC(=O)[*:1] CN(c1ccccc1C[NH+](C[*:1])C(C)(C)C)C1CC[NH+](C)CC1
Cc1nc([C@H]2CCCN2C(=O)c2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1nc(ncc1C(=O)N[*:1])[C@H]1CCCN1C(=O)c1ccc(F)cc1
Cc1nc([C@H]2CCCN2C(=O)c2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)NCc1ccc(F)cc1)[C@H]1CCCN1C(=O)[*:1]
Cc1nc([C@H]2CCCN2C(=O)c2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)NC[*:1])[C@H]1CCCN1C(=O)c1ccc(F)cc1
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 CC(C)[*:1] Cc1cccc(c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2OCOc2c1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1cccc(c1NC(=O)[C@H](C)[NH2+][C@H](C)[*:1])C(C)C
CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(OC)c2)[C@@H](C#N)C(=O)N3)C1 CCOC(=O)[C@H]1CCCN(C1)[*:1] COc1cccc(c1)[C@@H]1c2c(nc([nH]c2=O)[*:1])NC(=O)[C@@H]1C#N
CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(OC)c2)[C@@H](C#N)C(=O)N3)C1 CCOC(=O)[*:1] COc1cccc(c1)[C@@H]1c2c(nc([nH]c2=O)N2CCC[C@@H](C2)[*:1])NC(=O)[C@@H]1C#N
CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(OC)c2)[C@@H](C#N)C(=O)N3)C1 COc1cccc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)c1nc2NC(=O)[C@H](C#N)[C@H](c2c(=O)[nH]1)[*:1]
CC(C)=CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 CC(C)=C[*:1] O=C(N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
CC(C)=CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] CC(C)=CC(=O)N[C@H](c1cccc(c1)[*:1])C1CC1
CC(C)=CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 CC(C)=CC(=O)N[*:1] FC(F)(F)c1cccc(c1)[C@H](C1CC1)[*:1]
CC(C)=CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] CC(C)=CC(=O)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
CCc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nnc(C)s2)cc1 Cc1nnc(s1)[*:1] CCc1ccc(cc1)[C@@H]1C(C(=O)c2c(C)nc3ccccn23)=C([O-])C(=O)N1[*:1]
CCc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nnc(C)s2)cc1 CCc1ccc(cc1)[*:1] Cc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2c(C)nc3ccccn23)[C@H]1[*:1]
CCc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nnc(C)s2)cc1 Cc1nc2ccccn2c1[*:1] CCc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nnc(C)s1
COc1ccc(OC)c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1 O=[N+]([O-])[*:1] COc1ccc(OC)c(c1)NC(=O)Cn1nc(C)c(c1C)[*:1]
NC(=O)Cn1cc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)nn1 NC(=O)C[*:1] O=C(N[C@@H](c1ccccc1F)C1CCCC1)c1cn(nn1)[*:1]
NC(=O)Cn1cc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)nn1 NC(=O)[*:1] O=C(N[C@@H](c1ccccc1F)C1CCCC1)c1cn(C[*:1])nn1
NC(=O)Cn1cc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)nn1 Fc1ccccc1[*:1] NC(=O)Cn1cc(nn1)C(=O)N[C@@H](C1CCCC1)[*:1]
NC(=O)Cn1cc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)nn1 C1CCC(C1)[*:1] NC(=O)Cn1cc(nn1)C(=O)N[C@@H](c1ccccc1F)[*:1]
CCSc1ccc(Cc2nnc(NC(=O)c3ccccc3F)o2)cc1 Fc1ccccc1[*:1] CCSc1ccc(cc1)Cc1nnc(NC(=O)[*:1])o1
CCSc1ccc(Cc2nnc(NC(=O)c3ccccc3F)o2)cc1 CCS[*:1] O=C(Nc1nnc(Cc2ccc(cc2)[*:1])o1)c1ccccc1F
O=C(CN1CCO[C@H](c2ccccc2)C1)N1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(CN1CCO[C@H](C1)[*:1])N1CCCc2ccccc21
COC(=O)c1cccc(C(=O)N2CCCCC[C@H]2c2ccco2)c1 c1coc(c1)[*:1] COC(=O)c1cccc(c1)C(=O)N1CCCCC[C@@H]1[*:1]
COC(=O)c1cccc(C(=O)N2CCCCC[C@H]2c2ccco2)c1 COC(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCCCC[C@H]1c1ccco1
Cc1ccc(C)c([C@H]2CN(c3ccc4nnc(C)n4n3)[C@H](C)CO2)c1 Cc1ccc(C)c(c1)[*:1] Cc1nnc2ccc(nn12)N1C[C@@H](OC[C@H]1C)[*:1]
O=C(CSc1nc2ccccc2n1Cc1ccccc1)Nc1ccc(Cl)cn1 c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2n1C[*:1])Nc1ccc(Cl)cn1
O=C(CSc1nc2ccccc2n1Cc1ccccc1)Nc1ccc(Cl)cn1 c1ccc(cc1)C[*:1] O=C(CSc1nc2ccccc2n1[*:1])Nc1ccc(Cl)cn1
O=C(CSc1nc2ccccc2n1Cc1ccccc1)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] O=C(CSc1nc2ccccc2n1Cc1ccccc1)N[*:1]
CCOc1ccccc1[C@@H](CC(=O)N1[C@@H](C)COC[C@@H]1C)NC(C)=O CCO[*:1] CC(=O)N[C@H](CC(=O)N1[C@@H](C)COC[C@@H]1C)c1ccccc1[*:1]
CCOc1ccccc1[C@@H](CC(=O)N1[C@@H](C)COC[C@@H]1C)NC(C)=O CC(=O)N[*:1] CCOc1ccccc1[C@@H](CC(=O)N1[C@@H](C)COC[C@@H]1C)[*:1]
Cc1nc(C)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 O=[N+]([O-])[*:1] Cc1nc(C)c(s1)C(=O)OCC(=O)Nc1ccc(cc1Cl)[*:1]
Cc1nc(C)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 Cc1nc(C)c(s1)[*:1] O=C(COC(=O)[*:1])Nc1ccc(cc1Cl)[N+](=O)[O-]
C[C@@H](NC(=O)Cn1ccnc1)c1ccc2c(c1)CCCO2 c1cn(cn1)[*:1] C[C@@H](NC(=O)C[*:1])c1ccc2OCCCc2c1
C[C@@H](NC(=O)Cn1ccnc1)c1ccc2c(c1)CCCO2 c1cn(cn1)C[*:1] C[C@@H](NC(=O)[*:1])c1ccc2OCCCc2c1
CC[C@@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)C(C)C CC(C)[*:1] CC[C@@H]([NH2+]C1CCN(CC1)S(=O)(=O)N1CCOCC1)[*:1]
Cc1cc(C)c(NC(=O)CN2CCC[C@@H]2CN2CCOCC2)c(C)c1 C1CN(CCO1)C[*:1] Cc1cc(C)c(NC(=O)CN2CCC[C@H]2[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN2CCC[C@@H]2CN2CCOCC2)c(C)c1 C1CN(CCO1)[*:1] Cc1cc(C)c(NC(=O)CN2CCC[C@@H]2C[*:1])c(C)c1
CCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 CCO[*:1] C[C@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 CCOc1ccccc1[*:1] C[C@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CN(CC(=O)N[C@H](C#N)C(C)(C)C)C(=O)c1ccc(Br)o1 CC(C)(C)[*:1] CN(CC(=O)N[C@H](C#N)[*:1])C(=O)c1ccc(Br)o1
CN(CC(=O)N[C@H](C#N)C(C)(C)C)C(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] CN(CC(=O)N[C@H](C#N)C(C)(C)C)C(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2)C(C)C)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CN(C(C)C)[*:1]
CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2)C(C)C)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CN(c1ccccc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2)C(C)C)cc1 CC(=O)N[*:1] CC(C)N(CC(=O)Nc1ccc(cc1)[*:1])c1ccccc1
C[NH+]1CCN(c2ccc(CNC(=O)CCc3c[nH]c4ccccc34)cn2)CC1 c1ccc2c(c[nH]c2c1)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)CC[*:1]
CC(=O)Nc1ccc2c(c1)OCCOCCOc1ccc(NC(C)=O)cc1OCCO2 CC(=O)N[*:1] CC(=O)Nc1ccc2OCCOCCOc3cc(ccc3OCCOc2c1)[*:1]
CC(=O)Nc1ccc2c(c1)OCCOCCOc1ccc(NC(C)=O)cc1OCCO2 CC(=O)N[*:1] CC(=O)Nc1ccc2OCCOc3cc(ccc3OCCOCCOc2c1)[*:1]
CC[C@@H]([NH3+])C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] CC[C@@H]([NH3+])C(=O)N1CC[C@H]([C@@H]1C)[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)CCC(=O)c2cc(C)sc2C)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(C(=O)CCC(=O)NNC(=O)C[*:1])c(C)s1
Cc1cc(C)n(CC(=O)NNC(=O)CCC(=O)c2cc(C)sc2C)n1 Cc1cc(c(C)s1)[*:1] Cc1cc(C)n(CC(=O)NNC(=O)CCC(=O)[*:1])n1
Cc1cc(C)n(CC(=O)NNC(=O)CCC(=O)c2cc(C)sc2C)n1 Cc1cc(C)n(C[*:1])n1 Cc1cc(C(=O)CCC(=O)NNC(=O)[*:1])c(C)s1
CC[C@H](C)[NH2+]C[C@@H]1CC[C@H](C(=O)[O-])O1 CC[C@H](C)[*:1] O=C([O-])[C@H]1CC[C@@H](C[NH2+][*:1])O1
CC[C@H](C)[NH2+]C[C@@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] CC[C@H](C)[NH2+]C[C@@H]1CC[C@H](O1)[*:1]
C[C@@H]1CN(C(=O)c2ccnc(OC3CCC3)c2)c2cccnc2O1 C1CC(C1)[*:1] C[C@@H]1CN(C(=O)c2ccnc(c2)O[*:1])c2cccnc2O1
C[C@@H]1CN(C(=O)c2ccnc(OC3CCC3)c2)c2cccnc2O1 C1CC(C1)O[*:1] C[C@@H]1CN(C(=O)c2ccnc(c2)[*:1])c2cccnc2O1
COc1ccccc1/[NH+]=c1\scc(-c2cccc([N+](=O)[O-])c2)n1CCCO O=[N+]([O-])[*:1] COc1ccccc1/[NH+]=c1\scc(-c2cccc(c2)[*:1])n1CCCO
COc1ccccc1/[NH+]=c1\scc(-c2cccc([N+](=O)[O-])c2)n1CCCO O=[N+]([O-])c1cccc(c1)[*:1] COc1ccccc1/[NH+]=c1\scc(n1CCCO)[*:1]
COc1ccccc1/[NH+]=c1\scc(-c2cccc([N+](=O)[O-])c2)n1CCCO COc1ccccc1[*:1] O=[N+]([O-])c1cccc(c1)-c1csc(=[NH+][*:1])n1CCCO
COc1ccccc1/[NH+]=c1\scc(-c2cccc([N+](=O)[O-])c2)n1CCCO OCCC[*:1] COc1ccccc1/[NH+]=c1\scc(-c2cccc(c2)[N+](=O)[O-])n1[*:1]
COc1ccccc1/[NH+]=c1\scc(-c2cccc([N+](=O)[O-])c2)n1CCCO OCC[*:1] COc1ccccc1/[NH+]=c1\scc(-c2cccc(c2)[N+](=O)[O-])n1C[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)NCCc2ncc(C)s2)ccc1F CC(=O)N[*:1] Cc1cnc(CCNC(=O)C(=O)Nc2ccc(F)c(c2)[*:1])s1
CC(=O)Nc1cc(NC(=O)C(=O)NCCc2ncc(C)s2)ccc1F Cc1cnc(C[*:1])s1 CC(=O)Nc1cc(ccc1F)NC(=O)C(=O)NC[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)NCCc2ncc(C)s2)ccc1F Cc1cnc(CC[*:1])s1 CC(=O)Nc1cc(ccc1F)NC(=O)C(=O)N[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)NCCc2ncc(C)s2)ccc1F Cc1cnc(s1)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)C(=O)NCC[*:1]
CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc(-c2ccccc2)cc1 CC(=O)N[*:1] Cc1sc(c(C(=O)OCC(=O)Nc2ccc(cc2)-c2ccccc2)c1C)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 Cc1cccc(C)c1[*:1] O=C(CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)N[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)c1cn(C[*:1])nc1-c1cccs1
Cc1cccc(C)c1NC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)C[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)c1cn(nc1-c1cccs1)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 c1csc(c1)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1[*:1]
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 Clc1ccc(c(Cl)c1)[*:1] O=C(NN=C[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(c1)[*:1]
COCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 Clc1ccc(cc1)C[*:1] COCCN(Cc1cc(=O)c2cc(C)ccc2[nH]1)[*:1]
COCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 Clc1ccc(cc1)[*:1] COCCN(Cc1cc(=O)c2cc(C)ccc2[nH]1)C[*:1]
COCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 COC[*:1] Cc1ccc2[nH]c(cc(=O)c2c1)CN(Cc1ccc(Cl)cc1)C[*:1]
COCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 COCC[*:1] Cc1ccc2[nH]c(cc(=O)c2c1)CN(Cc1ccc(Cl)cc1)[*:1]
COc1cc(OC)cc(C(=O)N2CCN(C3=Nc4ccc(C)cc4Oc4ccc(OC)cc43)CC2)c1 COc1cc(cc(c1)[*:1])OC COc1ccc2Oc3cc(C)ccc3N=C(c2c1)N1CCN(CC1)C(=O)[*:1]
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccco1 O=[N+]([O-])[*:1] O=C(N/N=C\c1ccc(o1)-c1cc(ccc1Cl)[*:1])c1ccco1
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccco1 c1coc(c1)[*:1] O=C(N/N=C\c1ccc(o1)-c1cc(ccc1Cl)[N+](=O)[O-])[*:1]
COc1cccc(/C(C)=C/C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c1 O=C(NC1CC1)[*:1] COc1cccc(c1)/C(C)=C/C(=O)Nc1cc(ccc1C)[*:1]
COc1cccc(/C(C)=C/C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c1 C1CC1[*:1] COc1cccc(c1)/C(C)=C/C(=O)Nc1cc(ccc1C)C(=O)N[*:1]
COc1cccc(/C(C)=C/C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c1 COc1cccc(c1)[*:1] CC(=CC(=O)Nc1cc(ccc1C)C(=O)NC1CC1)[*:1]
COc1ccc2nc(Nc3ncnc(Nc4ccccc4)c3[N+](=O)[O-])sc2c1 c1ccc(cc1)N[*:1] COc1ccc2nc(Nc3ncnc(c3[N+](=O)[O-])[*:1])sc2c1
COc1ccc2nc(Nc3ncnc(Nc4ccccc4)c3[N+](=O)[O-])sc2c1 O=[N+]([O-])[*:1] COc1ccc2nc(Nc3ncnc(Nc4ccccc4)c3[*:1])sc2c1
COc1ccc2nc(Nc3ncnc(Nc4ccccc4)c3[N+](=O)[O-])sc2c1 c1ccc(cc1)[*:1] COc1ccc2nc(Nc3ncnc(N[*:1])c3[N+](=O)[O-])sc2c1
CCC(CC)(CNc1nccc(C(F)(F)F)n1)S(C)(=O)=O CS(=O)(=O)[*:1] CCC(CC)(CNc1nccc(n1)C(F)(F)F)[*:1]
CCC(CC)(CNc1nccc(C(F)(F)F)n1)S(C)(=O)=O FC(F)(F)[*:1] CCC(CC)(CNc1nccc(n1)[*:1])S(C)(=O)=O
CC(C)NC(=O)c1ccc(NC(=O)c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)NC(=O)c1ccc(NC(=O)c2cc[nH]n2)cc1 CC(C)NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc[nH]n1
CC(C)NC(=O)c1ccc(NC(=O)c2cc[nH]n2)cc1 CC(C)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1cc[nH]n1
C[NH+]1CCN(CCc2ccc(NC(=O)C[C@H](O)c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CCc2ccc(cc2)NC(=O)C[C@H](O)[*:1])CC1
C[NH+]1CCN(CCc2ccc(NC(=O)C[C@H](O)c3ccccc3)cc2)CC1 O[C@H](c1ccccc1)[*:1] C[NH+]1CCN(CCc2ccc(cc2)NC(=O)C[*:1])CC1
C[NH+]1CCN(CCc2ccc(NC(=O)C[C@H](O)c3ccccc3)cc2)CC1 O[C@@H](C[*:1])c1ccccc1 C[NH+]1CCN(CCc2ccc(cc2)NC(=O)[*:1])CC1
Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)CCCO)CCC2 OCCC[*:1] Cc1nc2CCC[C@@H](c2s1)N(C)C(=O)N[C@H](C)[*:1]
Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)CCCO)CCC2 C[C@H](CCCO)[*:1] Cc1nc2CCC[C@@H](c2s1)N(C)C(=O)N[*:1]
Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)CCCO)CCC2 OCC[*:1] Cc1nc2CCC[C@@H](c2s1)N(C)C(=O)N[C@H](C)C[*:1]
O=C(Nc1ccc(OC(=O)c2cccnc2N2CCCC2)cc1)c1cccs1 c1csc(c1)[*:1] O=C(Oc1ccc(cc1)NC(=O)[*:1])c1cccnc1N1CCCC1
O=C(Nc1ccc(OC(=O)c2cccnc2N2CCCC2)cc1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(Oc1ccc(cc1)[*:1])c1cccnc1N1CCCC1
O=C(Nc1ccc(OC(=O)c2cccnc2N2CCCC2)cc1)c1cccs1 C1CCN(C1)[*:1] O=C(Nc1ccc(cc1)OC(=O)c1cccnc1[*:1])c1cccs1
O=C(c1cscn1)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 O=C(N1CCOCC1)[*:1] O=C(c1cscn1)N1CCC[C@@H](C1)Cn1cc(nn1)[*:1]
O=C(c1cscn1)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1 c1nc(cs1)[*:1] O=C(c1cn(C[C@H]2CCCN(C2)C(=O)[*:1])nn1)N1CCOCC1
Cc1ccc(C(=O)N[C@@H](C(=O)/N=c2\[nH]cn[nH]2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)/N=c1\[nH]cn[nH]1)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)/N=c2\[nH]cn[nH]2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)/N=c1\[nH]cn[nH]1
C=CCNC(=O)c1cc2ccccc2cc1O C=CC[*:1] O=C(N[*:1])c1cc2ccccc2cc1O
COc1ccccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)[nH]n1 CC(C)(C)[*:1] COc1ccccc1S(=O)(=O)[N-]c1cc([nH]n1)[*:1]
Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCC1=CCCCC1 Fc1ccc(cc1)[*:1] Cc1nc(CO[*:1])sc1C(=O)NCCC1=CCCCC1
Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCC1=CCCCC1 Fc1ccc(cc1)O[*:1] Cc1nc(C[*:1])sc1C(=O)NCCC1=CCCCC1
CCOCc1ccc(NC(=O)N(CC)CCC#N)cc1 CCOC[*:1] CCN(CCC#N)C(=O)Nc1ccc(cc1)[*:1]
CCOCc1ccc(NC(=O)N(CC)CCC#N)cc1 N#CCC[*:1] CCOCc1ccc(cc1)NC(=O)N(CC)[*:1]
CCOCc1ccc(NC(=O)N(CC)CCC#N)cc1 N#CC[*:1] CCOCc1ccc(cc1)NC(=O)N(CC)C[*:1]
CCOCc1ccc(NC(=O)N(CC)CCC#N)cc1 CCO[*:1] CCN(CCC#N)C(=O)Nc1ccc(cc1)C[*:1]
COCC(=O)N(C)CC(=O)Nc1c(C)cc(Br)cc1Cl COC[*:1] Cc1cc(Br)cc(Cl)c1NC(=O)CN(C)C(=O)[*:1]
CCOc1cc(C#N)ccc1OC(=O)Cn1ccccc1=O O=c1ccccn1[*:1] CCOc1cc(C#N)ccc1OC(=O)C[*:1]
CCOc1cc(C#N)ccc1OC(=O)Cn1ccccc1=O CCO[*:1] N#Cc1ccc(OC(=O)Cn2ccccc2=O)c(c1)[*:1]
O=S(=O)(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(N[C@@H](c1ccc2OCCOc2c1)C1CC1)[*:1]
O=S(=O)(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccs1 C1CC1[*:1] O=S(=O)(N[C@@H](c1ccc2OCCOc2c1)[*:1])c1cccs1
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(F)nc2)CC1 Fc1ccc(cn1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1c(C(=O)N[C@H]2CCCC[C@H]2OCCC(C)C)cnn1C CC(C)[*:1] Cc1c(cnn1C)C(=O)N[C@H]1CCCC[C@H]1OCC[*:1]
Cc1c(C(=O)N[C@H]2CCCC[C@H]2OCCC(C)C)cnn1C Cc1c(cnn1C)[*:1] CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)[*:1]
Cc1c(C(=O)N[C@H]2CCCC[C@H]2OCCC(C)C)cnn1C CC(C)CC[*:1] Cc1c(cnn1C)C(=O)N[C@H]1CCCC[C@H]1O[*:1]
Cc1c(C(=O)N[C@H]2CCCC[C@H]2OCCC(C)C)cnn1C CC(C)C[*:1] Cc1c(cnn1C)C(=O)N[C@H]1CCCC[C@H]1OC[*:1]
Cc1c(C(=O)N[C@H]2CCCC[C@H]2OCCC(C)C)cnn1C CC(C)CCO[*:1] Cc1c(cnn1C)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCn2cncn2)o1 c1ncn(CCC[*:1])n1 CCc1ccc(o1)[C@H]1C[C@@H](C)CCN1C(=O)[*:1]
CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCn2cncn2)o1 CCc1ccc(o1)[*:1] C[C@H]1CCN(C(=O)CCCn2cncn2)[C@H](C1)[*:1]
CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCn2cncn2)o1 c1ncn(CC[*:1])n1 CCc1ccc(o1)[C@H]1C[C@@H](C)CCN1C(=O)C[*:1]
CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCn2cncn2)o1 c1ncn(C[*:1])n1 CCc1ccc(o1)[C@H]1C[C@@H](C)CCN1C(=O)CC[*:1]
CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCn2cncn2)o1 c1ncn(n1)[*:1] CCc1ccc(o1)[C@H]1C[C@@H](C)CCN1C(=O)CCC[*:1]
CO[C@]1(C)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)C1(C)C Cc1nnnn1[*:1] CO[C@]1(C)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)[*:1])C1(C)C
CO[C@]1(C)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)C1(C)C Fc1ccc(cc1)C[*:1] CO[C@]1(C)C[C@H](NC(=O)[C@H](n2nnnc2C)[*:1])C1(C)C
CO[C@]1(C)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)C1(C)C Fc1ccc(cc1)[*:1] CO[C@]1(C)C[C@H](NC(=O)[C@H](C[*:1])n2nnnc2C)C1(C)C
C[C@H]1C[C@@H](C)CN(c2ncnc3c2cnn3Cc2ccccc2Cl)C1 Clc1ccccc1[*:1] C[C@H]1C[C@@H](C)CN(C1)c1ncnc2c1cnn2C[*:1]
C[C@H]1C[C@@H](C)CN(c2ncnc3c2cnn3Cc2ccccc2Cl)C1 Clc1ccccc1C[*:1] C[C@H]1C[C@@H](C)CN(C1)c1ncnc2c1cnn2[*:1]
CN(C(=O)COC(c1ccccc1)c1ccccc1)C1CCOCC1 c1ccc(cc1)[*:1] CN(C(=O)COC(c1ccccc1)[*:1])C1CCOCC1
CN(C(=O)COC(c1ccccc1)c1ccccc1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)COC(c1ccccc1)c1ccccc1)[*:1]
N#CCC[C@@H](C#N)CSc1nc(-c2ccco2)nc2ccccc12 N#CCC[*:1] N#C[C@@H](CSc1nc(nc2ccccc12)-c1ccco1)[*:1]
N#CCC[C@@H](C#N)CSc1nc(-c2ccco2)nc2ccccc12 c1coc(c1)[*:1] N#CCC[C@@H](C#N)CSc1nc(nc2ccccc12)[*:1]
N#CCC[C@@H](C#N)CSc1nc(-c2ccco2)nc2ccccc12 N#CC[*:1] N#C[C@@H](CSc1nc(nc2ccccc12)-c1ccco1)C[*:1]
CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1cc(C#N)ccc1F c1ccc(cc1)[*:1] CC(C)[C@@H](C[*:1])C(=O)NCc1cc(C#N)ccc1F
CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1cc(C#N)ccc1F c1ccc(cc1)C[*:1] CC(C)[C@@H](C(=O)NCc1cc(C#N)ccc1F)[*:1]
CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1cc(C#N)ccc1F CC(C)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)[C@H](Cc1ccccc1)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])OCc1ccccc1
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(NS(=O)(=O)c2ccc(cc2)NC(=O)O[*:1])c(C)c1
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NS(=O)(=O)c2ccc(cc2)NC(=O)OC[*:1])c(C)c1
CCc1[nH]nc(-c2cc(OC)c(OC)c(OC)c2)c1NC(=O)c1cccs1 O=C(N[*:1])c1cccs1 CCc1[nH]nc(-c2cc(OC)c(OC)c(c2)OC)c1[*:1]
CCc1[nH]nc(-c2cc(OC)c(OC)c(OC)c2)c1NC(=O)c1cccs1 c1csc(c1)[*:1] CCc1[nH]nc(-c2cc(OC)c(OC)c(c2)OC)c1NC(=O)[*:1]
Cc1nc(CNCc2ccccc2[N+](=O)[O-])sc1C O=[N+]([O-])[*:1] Cc1nc(CNCc2ccccc2[*:1])sc1C
C[NH2+]Cc1ccc(OCc2ccccn2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[NH2+]Cc1ccc(OCc2ccccn2)c(c1)[*:1]
C[NH2+]Cc1ccc(OCc2ccccn2)c([N+](=O)[O-])c1 c1ccc(nc1)[*:1] C[NH2+]Cc1ccc(OC[*:1])c(c1)[N+](=O)[O-]
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])N[*:1]
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1[*:1])Nc1cccc(Cl)c1
Cc1nc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)sc1C(=O)N(C)C c1cc2OCOc2cc1[*:1] Cc1nc(NC(=O)Cc2csc(n2)NC(=O)[*:1])sc1C(=O)N(C)C
Cc1nc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)sc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1nc(NC(=O)Cc2csc(n2)NC(=O)c2ccc3OCOc3c2)sc1[*:1]
CNS(=O)(=O)c1cccc(NC(=O)N[C@H]2CCCc3occc32)c1C CNS(=O)(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)N[C@H]1CCCc2occc21
CC(=O)c1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)cc1 CC(=O)[*:1] N#Cc1cc2cc3OCOc3cc2nc1SCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)cc1 CC(=O)c1ccc(cc1)[*:1] N#Cc1cc2cc3OCOc3cc2nc1SCC(=O)N[*:1]
N#CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 N#CC[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[*:1]
N#CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] N#CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(cc(c1)[*:1])C(F)(F)F
N#CCCCCNC(=O)C[C@@H]1CCCCO1 N#CC[*:1] O=C(C[C@@H]1CCCCO1)NCCC[*:1]
N#CCCCCNC(=O)C[C@@H]1CCCCO1 N#CCC[*:1] O=C(C[C@@H]1CCCCO1)NCC[*:1]
N#CCCCCNC(=O)C[C@@H]1CCCCO1 N#CCCC[*:1] O=C(C[C@@H]1CCCCO1)NC[*:1]
CC(C)c1cc(C(=O)Nc2cccc(OCc3cccnc3)c2)on1 CC(C)c1cc(on1)[*:1] O=C(Nc1cccc(c1)OCc1cccnc1)[*:1]
CC(C)c1cc(C(=O)Nc2cccc(OCc3cccnc3)c2)on1 CC(C)[*:1] O=C(Nc1cccc(c1)OCc1cccnc1)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)Nc2cccc(OCc3cccnc3)c2)on1 c1cncc(c1)[*:1] CC(C)c1cc(on1)C(=O)Nc1cccc(c1)OC[*:1]
CC(C)c1cc(C(=O)Nc2cccc(OCc3cccnc3)c2)on1 c1cncc(c1)CO[*:1] CC(C)c1cc(on1)C(=O)Nc1cccc(c1)[*:1]
CC(C)c1cc(C(=O)Nc2cccc(OCc3cccnc3)c2)on1 c1cncc(c1)C[*:1] CC(C)c1cc(on1)C(=O)Nc1cccc(c1)O[*:1]
CN(C)C(=O)Cc1ccc(-c2cccc3c2CC[NH2+]C3)cc1 CN(C)C(=O)[*:1] c1cc2C[NH2+]CCc2c(c1)-c1ccc(cc1)C[*:1]
CN(C)C(=O)Cc1ccc(-c2cccc3c2CC[NH2+]C3)cc1 CN(C)C(=O)C[*:1] c1cc2C[NH2+]CCc2c(c1)-c1ccc(cc1)[*:1]
O=C(Nc1ccccc1OCc1cscn1)c1cnccn1 c1nc(cs1)CO[*:1] O=C(Nc1ccccc1[*:1])c1cnccn1
O=C(Nc1ccccc1OCc1cscn1)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1ccccc1OCc1cscn1)[*:1]
O=C(Nc1ccccc1OCc1cscn1)c1cnccn1 c1nc(cs1)C[*:1] O=C(Nc1ccccc1O[*:1])c1cnccn1
O=C(Nc1ccccc1OCc1cscn1)c1cnccn1 c1nc(cs1)[*:1] O=C(Nc1ccccc1OC[*:1])c1cnccn1
COC(=O)c1ccc(OCC(=O)N(C)[C@H]2CCCc3ccccc32)cc1 COC(=O)[*:1] CN(C(=O)COc1ccc(cc1)[*:1])[C@H]1CCCc2ccccc21
COc1cccc(OCCNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)c1 CC(C)(C)[*:1] COc1cccc(c1)OCCNC(=O)c1c(C)nc([nH]c1=O)[*:1]
COc1cccc(OCCNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)c1 COc1cccc(c1)[*:1] Cc1nc([nH]c(=O)c1C(=O)NCCO[*:1])C(C)(C)C
Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc4c(c3)CCC4)C(=O)[C@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1C(=O)N(CC(=O)Nc2ccc3CCCc3c2)C(=O)N1[*:1]
Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc4c(c3)CCC4)C(=O)[C@H]2C)cc1 c1cc2CCCc2cc1[*:1] Cc1ccc(cc1)N1C(=O)N(CC(=O)N[*:1])C(=O)[C@H]1C
CCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1ccccc1Cl)S(=O)(=O)[*:1]
CCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)CC1 Clc1ccccc1[*:1] CCC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)[*:1])S(=O)(=O)c1ccc(C)cc1
CCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)CC1 O=C(N[*:1])c1ccccc1Cl CCC(=O)N1CCN(CC1)C(=O)[C@@H](S(=O)(=O)c1ccc(C)cc1)[*:1]
CCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)CC1 Cc1ccc(cc1)S(=O)(=O)[*:1] CCC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1ccccc1Cl)[*:1]
O=C(c1cncc(Br)c1)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 Brc1cncc(c1)[*:1] O=C([C@H]1C[C@@H]1c1cccs1)N1CCN(CC1)C(=O)[*:1]
O=C(c1cncc(Br)c1)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1cncc(Br)c1)N1CCN(CC1)C(=O)[C@H]1C[C@H]1[*:1]
Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 C1CC1[*:1] Cc1ccc(cc1)CS(=O)(=O)CC(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)CS(=O)(=O)CC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CS(=O)(=O)C[*:1])Nc1cccc(c1)C(=O)NC1CC1
Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 Cc1ccc(cc1)C[*:1] O=C(CS(=O)(=O)[*:1])Nc1cccc(c1)C(=O)NC1CC1
CC[C@@H](C)N1CCNc2c(C)[nH+]n(CC)c21 CC[C@@H](C)[*:1] CCn1[nH+]c(C)c2NCCN(c21)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)C1 C1CC(CCO1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)Nc1ccc(cc1)C(=O)N(C)[*:1]
COc1cccc(CN2/C(=N/C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 COc1cccc(c1)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1C[*:1])C1CC1
COc1cccc(CN2/C(=N/C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 C1CC1[*:1] COc1cccc(c1)CN1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
CCCOc1ccccc1C(=O)N1C[C@@H]([NH+](C)C)[C@H](c2ccc(OC)cc2)C1 CCCO[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1[NH+](C)C)C(=O)c1ccccc1[*:1]
CCCOc1ccccc1C(=O)N1C[C@@H]([NH+](C)C)[C@H](c2ccc(OC)cc2)C1 CCC[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1[NH+](C)C)C(=O)c1ccccc1O[*:1]
CCCOc1ccccc1C(=O)N1C[C@@H]([NH+](C)C)[C@H](c2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CCCOc1ccccc1C(=O)N1C[C@H]([C@H](C1)[*:1])[NH+](C)C
Cc1nc(-c2ncc(Cl)cc2Cl)ncc1[C@H](C)Cl C[C@H](Cl)[*:1] Cc1nc(ncc1[*:1])-c1ncc(Cl)cc1Cl
Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)c3n[nH]c4c3CCCCC4)c2)n1 Cc1csc(n1)N[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1C(=O)c1n[nH]c2CCCCCc12)[*:1]
Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)c3n[nH]c4c3CCCCC4)c2)n1 C1CCc2[nH]nc(c2CC1)[*:1] Cc1csc(n1)Nc1cc(C)[nH+]c(c1)[C@@H]1CCCN1C(=O)[*:1]
Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)c3n[nH]c4c3CCCCC4)c2)n1 Cc1csc(n1)[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1C(=O)c1n[nH]c2CCCCCc12)N[*:1]
CC(=O)Nc1ccc(NC(=O)NCc2nc(C)sc2C)c(Cl)c1 Cc1nc(c(C)s1)[*:1] CC(=O)Nc1ccc(NC(=O)NC[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)NCc2nc(C)sc2C)c(Cl)c1 CC(=O)N[*:1] Cc1nc(CNC(=O)Nc2ccc(cc2Cl)[*:1])c(C)s1
CC[C@H](C)c1ccccc1Oc1cccc(F)c1C(=O)[O-] CC[C@H](C)[*:1] O=C([O-])c1c(F)cccc1Oc1ccccc1[*:1]
CC[C@H](C)c1ccccc1Oc1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)c1ccccc1Oc1cccc(F)c1[*:1]
C=CCNC(=O)C[NH2+]C1(C(N)=O)CCCC1 NC(=O)[*:1] C=CCNC(=O)C[NH2+]C1(CCCC1)[*:1]
C=CCNC(=O)C[NH2+]C1(C(N)=O)CCCC1 C=CC[*:1] NC(=O)C1(CCCC1)[NH2+]CC(=O)N[*:1]
CCc1c(C(=O)NCC(=O)[O-])nnn1-c1ccc(Cl)cc1 O=C([O-])C[*:1] CCc1c(nnn1-c1ccc(Cl)cc1)C(=O)N[*:1]
CCc1c(C(=O)NCC(=O)[O-])nnn1-c1ccc(Cl)cc1 O=C([O-])CNC(=O)[*:1] CCc1c(nnn1-c1ccc(Cl)cc1)[*:1]
CCc1c(C(=O)NCC(=O)[O-])nnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1c(nnn1[*:1])C(=O)NCC(=O)[O-]
CCc1c(C(=O)NCC(=O)[O-])nnn1-c1ccc(Cl)cc1 O=C([O-])[*:1] CCc1c(nnn1-c1ccc(Cl)cc1)C(=O)NC[*:1]
C#CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[*:1]
C#CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@H](C)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[*:1]
Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@H](C)N1CCOCC1 C1CN(CCO1)[*:1] Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@H](C)[*:1]
C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)c1ccc(Br)cn1 C1CO[C@@H](C1)[*:1] C[C@H](OC[*:1])C(=O)N(C)c1ccc(Br)cn1
C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)c1ccc(Br)cn1 C1CO[C@@H](C1)C[*:1] C[C@H](O[*:1])C(=O)N(C)c1ccc(Br)cn1
COCC(=O)N1CCN(C(=O)NC[C@H]2CC=CCC2)CC1 COC[*:1] O=C(NC[C@H]1CC=CCC1)N1CCN(CC1)C(=O)[*:1]
Cc1ccncc1NC(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 CC(C)C[*:1] Cc1ccncc1NC(=O)N(C)Cc1nc(no1)[C@@H](C)O[*:1]
Cc1ccncc1NC(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 CC(C)CO[*:1] Cc1ccncc1NC(=O)N(C)Cc1nc(no1)[C@@H](C)[*:1]
Cc1ccncc1NC(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 CC(C)[*:1] Cc1ccncc1NC(=O)N(C)Cc1nc(no1)[C@@H](C)OC[*:1]
Cc1ccncc1NC(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 Cc1ccncc1[*:1] CC(C)CO[C@H](C)c1noc(CN(C)C(=O)N[*:1])n1
CC(C)NC(=O)NCc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 NS(=O)(=O)[*:1] CC(C)NC(=O)NCc1ccc(o1)-c1ccc(cc1)[*:1]
CC(C)NC(=O)NCc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 CC(C)NC(=O)N[*:1] NS(=O)(=O)c1ccc(cc1)-c1ccc(C[*:1])o1
CC(C)NC(=O)NCc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 CC(C)[*:1] NS(=O)(=O)c1ccc(cc1)-c1ccc(CNC(=O)N[*:1])o1
Cc1nc2cc(C(=O)Nc3ncccc3OCCCC#N)ccc2n1-c1ccccc1 N#CC[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)Nc1ncccc1OCC[*:1]
Cc1nc2cc(C(=O)Nc3ncccc3OCCCC#N)ccc2n1-c1ccccc1 N#CCCCO[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)Nc1ncccc1[*:1]
Cc1nc2cc(C(=O)Nc3ncccc3OCCCC#N)ccc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2cc(ccc2n1[*:1])C(=O)Nc1ncccc1OCCCC#N
Cc1nc2cc(C(=O)Nc3ncccc3OCCCC#N)ccc2n1-c1ccccc1 N#CCC[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)Nc1ncccc1OC[*:1]
Cc1nc2cc(C(=O)Nc3ncccc3OCCCC#N)ccc2n1-c1ccccc1 N#CCCC[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)Nc1ncccc1O[*:1]
C[C@H](C(=O)NCc1ccc(F)cc1)[S@@](=O)Cc1cccc(C(F)(F)F)c1 Fc1ccc(cc1)C[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1cccc(c1)C(F)(F)F
C[C@H](C(=O)NCc1ccc(F)cc1)[S@@](=O)Cc1cccc(C(F)(F)F)c1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)NC[*:1])[S@@](=O)Cc1cccc(c1)C(F)(F)F
C[C@H](C(=O)NCc1ccc(F)cc1)[S@@](=O)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](C(=O)NCc1ccc(F)cc1)[S@@](=O)Cc1cccc(c1)[*:1]
O=C(CC1CCCCC1)NNC(=O)[C@@H]1COc2ccccc2O1 C1CCC(CC1)C[*:1] O=C(NNC(=O)[*:1])[C@@H]1COc2ccccc2O1
O=C(CC1CCCCC1)NNC(=O)[C@@H]1COc2ccccc2O1 C1CCC(CC1)[*:1] O=C(C[*:1])NNC(=O)[C@@H]1COc2ccccc2O1
O=C(c1cc2n(n1)CCCO2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] O=C(c1cc2OCCCn2n1)N1CCN(CC1)C(=O)[*:1]
CCSc1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cn1 C[C@@H](c1ccco1)[*:1] CCSc1ccc(cn1)NC(=O)N(C1CC1)[*:1]
CCSc1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cn1 CCS[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1ccc(nc1)[*:1])C1CC1
CCSc1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cn1 c1coc(c1)[*:1] CCSc1ccc(cn1)NC(=O)N(C1CC1)[C@@H](C)[*:1]
CCSc1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cn1 C1CC1[*:1] CCSc1ccc(cn1)NC(=O)N([C@@H](C)c1ccco1)[*:1]
C[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)[*:1]
C[C@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)c1ccc(C#N)cc1 C1CCC(CC1)[*:1] C[C@H](NC(=O)N[C@@](C)(CO)[*:1])c1ccc(C#N)cc1
CC[C@@H](CCO)C[NH2+][C@@H](C)c1cnccn1 OCC[*:1] CC[C@@H](C[NH2+][C@@H](C)c1cnccn1)[*:1]
CCc1nn(C)cc1C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] CCc1nn(C)cc1C[NH2+][C@H](c1cccc(c1)[*:1])C1CC1
CCc1nn(C)cc1C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 CCc1nn(C)cc1[*:1] FC(F)(F)c1cccc(c1)[C@@H]([NH2+]C[*:1])C1CC1
CCc1nn(C)cc1C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] CCc1nn(C)cc1C[NH2+][C@H](c1cccc(c1)C(F)(F)F)[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1C CC(C)(C)NS(=O)(=O)[*:1] Cc1ccc(cc1C)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1C Cc1ccc(cc1C)[*:1] CC(C)(C)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CCC[NH2+][C@@H](C)c1ccnc(-n2cncn2)c1 CCC[*:1] C[C@H]([NH2+][*:1])c1ccnc(c1)-n1cncn1
CCC[NH2+][C@@H](C)c1ccnc(-n2cncn2)c1 c1ncn(n1)[*:1] CCC[NH2+][C@@H](C)c1ccnc(c1)[*:1]
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1cccs1 c1csc(c1)[*:1] CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)C[*:1]
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1cccs1 CC(C)[*:1] CN(Cc1cccs1)C(=O)[C@H]([NH2+]C1CCOCC1)[*:1]
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1cccs1 C1CC(CCO1)[*:1] CC(C)[C@@H]([NH2+][*:1])C(=O)N(C)Cc1cccs1
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)Cc1cccs1 c1csc(c1)C[*:1] CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)[*:1]
Cc1ccc2c(c1)=C1S[C@@H](C(=O)N(C)c3ccccc3C)C=C1C(=O)[NH+]=2 Cc1ccccc1[*:1] Cc1ccc2=[NH+]C(=O)C3=C[C@@H](SC3=c2c1)C(=O)N(C)[*:1]
CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C2COC2)cc1 CS(=O)(=O)[*:1] O[C@@H](C[NH2+]C1COC1)c1ccc(cc1)[*:1]
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1C Cc1ccc(Cl)cc1[*:1] COc1ccc(Br)cc1/C=N/NC(=O)C(=O)N[*:1]
C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nccs1 Fc1ccc(cc1)[*:1] C[C@@H](OC(=O)c1ccccc1C(=O)[*:1])c1nccs1
C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1nccs1 c1csc(n1)[*:1] C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(F)cc1)[*:1]
CCN(C(C)C)S(=O)(=O)c1ccc(F)cc1N CC(C)[*:1] CCN(S(=O)(=O)c1ccc(F)cc1N)[*:1]
COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3[C@H](C)CCC[C@H]3C)=C2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)C1=CC(=NS(=O)(=O)N1C)[*:1]
CCCc1nnc(Sc2nccn(CC(C)C)c2=O)o1 CC(C)C[*:1] CCCc1nnc(o1)Sc1nccn(c1=O)[*:1]
CCCc1nnc(Sc2nccn(CC(C)C)c2=O)o1 CC(C)[*:1] CCCc1nnc(o1)Sc1nccn(C[*:1])c1=O
CCCc1nnc(Sc2nccn(CC(C)C)c2=O)o1 CCC[*:1] CC(C)Cn1ccnc(Sc2nnc(o2)[*:1])c1=O
CC(=O)N1CCN(Cc2cc(NCc3ccccc3-n3cccn3)cc[nH+]2)CC1 CC(=O)N1CCN(CC1)[*:1] c1ccc(c(c1)CNc1cc[nH+]c(c1)C[*:1])-n1cccn1
CC(=O)N1CCN(Cc2cc(NCc3ccccc3-n3cccn3)cc[nH+]2)CC1 c1cnn(c1)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)NCc1ccccc1[*:1]
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(C(C)=O)CC2)CC1=O CC[C@H](C)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1[*:1]
CC(=O)c1[nH]c(C)c(C(=O)NCCSc2nc3ccccc3o2)c1C CC(=O)[*:1] Cc1[nH]c(c(C)c1C(=O)NCCSc1nc2ccccc2o1)[*:1]
CC(=O)Nc1c(-c2cccs2)n[nH]c1C CC(=O)N[*:1] Cc1[nH]nc(-c2cccs2)c1[*:1]
CC(=O)Nc1c(-c2cccs2)n[nH]c1C c1csc(c1)[*:1] CC(=O)Nc1c(n[nH]c1C)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=O)c1ccccc1 CC(C)[*:1] C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)C(=O)c1ccccc1)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=O)[*:1]
CN1CCO[C@@H](C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)C1 Clc1ccc(cc1)C[*:1] CN1CCO[C@H](C1)C(=O)Nc1cccc(c1)O[*:1]
CN1CCO[C@@H](C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)C1 Clc1ccc(cc1)[*:1] CN1CCO[C@H](C1)C(=O)Nc1cccc(c1)OC[*:1]
C=C(C)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1 C=C(C)[*:1] O=C(Nc1ccc(F)cc1)c1ccc(cc1)OC[*:1]
C=C(C)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1 C=C(C)C[*:1] O=C(Nc1ccc(F)cc1)c1ccc(cc1)O[*:1]
C=C(C)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C=C(C)COc1ccc(cc1)C(=O)N[*:1]
C=C(C)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1 C=C(C)CO[*:1] O=C(Nc1ccc(F)cc1)c1ccc(cc1)[*:1]
Cc1ncccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 FC(F)(F)[*:1] Cc1ncccc1NC(=O)N(Cc1ccc(cc1)[*:1])C1CC1
Cc1ncccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 Cc1ncccc1[*:1] O=C(N[*:1])N(Cc1ccc(cc1)C(F)(F)F)C1CC1
Cc1ncccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 C1CC1[*:1] Cc1ncccc1NC(=O)N(Cc1ccc(cc1)C(F)(F)F)[*:1]
COc1ccc([C@@H](NC(=O)NCc2scnc2C)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ncsc1CNC(=O)N[C@@H](C1CCOCC1)[*:1]
COc1ccc([C@@H](NC(=O)NCc2scnc2C)C2CCOCC2)cc1 Cc1ncsc1C[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)NCc2scnc2C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)NCc1scnc1C)[*:1]
COc1ccc([C@@H](NC(=O)NCc2scnc2C)C2CCOCC2)cc1 Cc1ncsc1[*:1] COc1ccc(cc1)[C@@H](NC(=O)NC[*:1])C1CCOCC1
CC(=O)Nc1cccc(C(=O)/C=C/c2ccco2)c1 c1coc(c1)[*:1] CC(=O)Nc1cccc(c1)C(=O)C=C[*:1]
CC(=O)Nc1cccc(C(=O)/C=C/c2ccco2)c1 CC(=O)N[*:1] O=C(/C=C/c1ccco1)c1cccc(c1)[*:1]
O=C(C[C@H](O)c1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1 O[C@H](c1ccccc1)[*:1] O=C(C[*:1])Nc1nc(cs1)C[NH+]1CCCCC1
O=C(C[C@H](O)c1ccccc1)Nc1nc(C[NH+]2CCCCC2)cs1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])Nc1nc(cs1)C[NH+]1CCCCC1
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)NC[C@](C)(O)C(C)C c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)NC[C@](C)(O)C(C)C)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)NC[C@](C)(O)C(C)C CC(C)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)NC[C@](C)(O)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)NC[C@](C)(O)C(C)C c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1/C=C/C(=O)NC[C@](C)(O)C(C)C
CCCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 CCC[*:1] CC(C)(C)n1nc2CSCc2c1NC(=O)C(=O)NC[*:1]
CCCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 CC(C)(C)[*:1] CCCCNC(=O)C(=O)Nc1c2CSCc2nn1[*:1]
CCCCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 CCCC[*:1] CC(C)(C)n1nc2CSCc2c1NC(=O)C(=O)N[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 Clc1ccc(c(Cl)c1)[*:1] Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 Cc1[nH]c(=O)[nH]c(=O)c1[*:1] O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(c1ccc(CSc2nncs2)cc1)N1CCCC1 c1nnc(s1)[*:1] O=C(c1ccc(cc1)CS[*:1])N1CCCC1
O=C(c1ccc(CSc2nncs2)cc1)N1CCCC1 c1nnc(S[*:1])s1 O=C(c1ccc(cc1)C[*:1])N1CCCC1
CCN(C[C@H]1CCOC1)C(=O)NC[C@@H](C)Oc1ccccc1C C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)NC[C@@H](C)Oc1ccccc1C
CCN(C[C@H]1CCOC1)C(=O)NC[C@@H](C)Oc1ccccc1C C1C[C@@H](CO1)C[*:1] CCN(C(=O)NC[C@@H](C)Oc1ccccc1C)[*:1]
CCN(C[C@H]1CCOC1)C(=O)NC[C@@H](C)Oc1ccccc1C Cc1ccccc1[*:1] CCN(C[C@H]1CCOC1)C(=O)NC[C@@H](C)O[*:1]
C[C@@H](CC(=O)[O-])NC(=O)c1cc(=O)[nH]c2ccccc12 O=C([O-])[*:1] C[C@@H](C[*:1])NC(=O)c1cc(=O)[nH]c2ccccc12
C[C@@H](CC(=O)[O-])NC(=O)c1cc(=O)[nH]c2ccccc12 O=C([O-])C[*:1] C[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)[*:1]
COc1cccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)c1 COc1cccc(c1)[*:1] Cc1cc(=O)oc2c3CN(COc3ccc12)[*:1]
Cn1cc(/C=C/C(=O)Oc2cccc(F)c2)c(=O)n(C)c1=O Fc1cccc(c1)[*:1] Cn1cc(/C=C/C(=O)O[*:1])c(=O)n(C)c1=O
CCn1c([C@@H]2CCC[NH2+]C2)nn(Cc2ncccn2)c1=O c1cnc(nc1)[*:1] CCn1c(nn(C[*:1])c1=O)[C@@H]1CCC[NH2+]C1
CCn1c([C@@H]2CCC[NH2+]C2)nn(Cc2ncccn2)c1=O c1cnc(C[*:1])nc1 CCn1c(nn(c1=O)[*:1])[C@@H]1CCC[NH2+]C1
C=CCN1C(=O)/C(=C/c2ccco2)S/C1=N/c1nnc(C)s1 Cc1nnc(s1)[*:1] C=CCN1C(=O)/C(=C/c2ccco2)SC1=N[*:1]
C=CCN1C(=O)/C(=C/c2ccco2)S/C1=N/c1nnc(C)s1 c1coc(c1)[*:1] C=CCN1C(=O)C(=C[*:1])S/C1=N/c1nnc(C)s1
C=CCN1C(=O)/C(=C/c2ccco2)S/C1=N/c1nnc(C)s1 C=CC[*:1] Cc1nnc(/N=C2/S/C(=C\c3ccco3)C(=O)N2[*:1])s1
O=C(NCc1ccccn1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] O=C(NCc1ccccn1)C(=O)Nc1cccc(c1)OC[*:1]
O=C(NCc1ccccn1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 c1ccc(nc1)[*:1] O=C(NC[*:1])C(=O)Nc1cccc(c1)OCc1cccc(F)c1
O=C(NCc1ccccn1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 Fc1cccc(c1)C[*:1] O=C(NCc1ccccn1)C(=O)Nc1cccc(c1)O[*:1]
O=C(NCc1ccccn1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 c1ccc(C[*:1])nc1 O=C(Nc1cccc(c1)OCc1cccc(F)c1)C(=O)N[*:1]
O=C(NCc1ccccn1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 Fc1cccc(c1)CO[*:1] O=C(NCc1ccccn1)C(=O)Nc1cccc(c1)[*:1]
C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O c1cc2OCCOc2cc1[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCC[C@@H]2[*:1])C1=O)c1ccc(F)c(F)c1
C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O Fc1ccc(cc1F)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3OCCOc3c2)C1=O)[*:1]
O=c1oc2ccccc2cc1C1=NO[C@@H](c2ccco2)C1 c1coc(c1)[*:1] O=c1oc2ccccc2cc1C1C[C@H](ON=1)[*:1]
CCC(CC)Nc1cc(C)c(N)c(C(=O)[O-])c1 CCC(CC)[*:1] Cc1cc(cc(C(=O)[O-])c1N)N[*:1]
CCC(CC)Nc1cc(C)c(N)c(C(=O)[O-])c1 O=C([O-])[*:1] CCC(CC)Nc1cc(C)c(N)c(c1)[*:1]
CNC(=O)c1ccccc1NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 CNC(=O)[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)Nc1ccccc1[*:1]
CNC(=O)c1ccccc1NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)OC(=O)[*:1] CNC(=O)c1ccccc1NC(=O)c1cccc(c1)[*:1]
CNC(=O)c1ccccc1NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] CNC(=O)c1ccccc1NC(=O)c1cccc(c1)C(=O)O[*:1]
Cc1cc(O)c([C@H]2OC(=O)c3ccccc32)c(=O)n1Cc1ccccn1 c1ccc(C[*:1])nc1 Cc1cc(O)c(c(=O)n1[*:1])[C@H]1OC(=O)c2ccccc21
Cc1cc(O)c([C@H]2OC(=O)c3ccccc32)c(=O)n1Cc1ccccn1 c1ccc(nc1)[*:1] Cc1cc(O)c(c(=O)n1C[*:1])[C@H]1OC(=O)c2ccccc21
c1ccc(Cc2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1 c1ccc(cc1)[*:1] c1cc(ccc1C[*:1])O[C@H]1CC[NH2+]C1
C[C@@H]1CN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@H](C(N)=O)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(Cc2cnn(c2)[*:1])C[C@@H](O1)C(N)=O
C[C@@H]1CN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@H](C(N)=O)O1 NC(=O)[*:1] C[C@@H]1CN(Cc2cnn(c2)-c2ccc(F)cc2)C[C@H](O1)[*:1]
CCC(C)(C)c1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1 CCC(C)(C)[*:1] O=S(=O)(Nc1cnn(c1)CC(F)F)c1ccc(cc1)[*:1]
CCC(C)(C)c1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1 FC(F)C[*:1] CCC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cnn(c1)[*:1]
CCC(C)(C)c1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1 FC(F)[*:1] CCC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cnn(c1)C[*:1]
Cc1ccc(NCC[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)nn1 Cc1ccc(nn1)N[*:1] CC1(C)C[C@H](CN1Cc1ccccc1)[NH2+]CC[*:1]
Cc1ccc(NCC[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)nn1 c1ccc(cc1)C[*:1] Cc1ccc(nn1)NCC[NH2+][C@H]1CN(C(C)(C)C1)[*:1]
Cc1ccc(NCC[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)nn1 Cc1ccc(nn1)[*:1] CC1(C)C[C@H](CN1Cc1ccccc1)[NH2+]CCN[*:1]
Cc1ccc(NCC[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)nn1 c1ccc(cc1)[*:1] Cc1ccc(nn1)NCC[NH2+][C@H]1CN(C[*:1])C(C)(C)C1
CCn1nc(C)c2ncnc(NCCn3cccn3)c21 c1cnn(c1)[*:1] CCn1nc(C)c2ncnc(NCC[*:1])c21
CCn1nc(C)c2ncnc(NCCn3cccn3)c21 c1cnn(c1)C[*:1] CCn1nc(C)c2ncnc(NC[*:1])c21
CCc1ccc(CNC(=O)Nc2cccc(Cn3nc(C)nc3C)c2)s1 Cc1nc(C)n(C[*:1])n1 CCc1ccc(CNC(=O)Nc2cccc(c2)[*:1])s1
CCc1ccc(CNC(=O)Nc2cccc(Cn3nc(C)nc3C)c2)s1 Cc1nc(C)n(n1)[*:1] CCc1ccc(CNC(=O)Nc2cccc(c2)C[*:1])s1
CCc1ccc(CNC(=O)Nc2cccc(Cn3nc(C)nc3C)c2)s1 CCc1ccc(C[*:1])s1 Cc1nc(C)n(Cc2cccc(c2)NC(=O)N[*:1])n1
CCc1ccc(CNC(=O)Nc2cccc(Cn3nc(C)nc3C)c2)s1 CCc1ccc(s1)[*:1] Cc1nc(C)n(Cc2cccc(c2)NC(=O)NC[*:1])n1
CC[NH2+]CCC(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] CC[NH2+]CCC(=O)N(C)[C@@H](C)C[*:1]
CNC(=O)Cc1ccccc1N[C@@H]1CC[C@@H]([NH3+])C1 CNC(=O)[*:1] [NH3+][C@@H]1CC[C@H](C1)Nc1ccccc1C[*:1]
CNC(=O)Cc1ccccc1N[C@@H]1CC[C@@H]([NH3+])C1 CNC(=O)C[*:1] [NH3+][C@@H]1CC[C@H](C1)Nc1ccccc1[*:1]
Cc1ccc(NC(=O)NCc2ccccc2-n2ccnc2)cc1C c1cn(cn1)[*:1] Cc1ccc(cc1C)NC(=O)NCc1ccccc1[*:1]
Cc1ccc(NC(=O)NCc2ccccc2-n2ccnc2)cc1C Cc1ccc(cc1C)[*:1] O=C(NCc1ccccc1-n1ccnc1)N[*:1]
Cc1ccc(Sc2nsc(NC(=O)c3ccon3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(ns1)S[*:1])c1ccon1
Cc1ccc(Sc2nsc(NC(=O)c3ccon3)n2)cc1 c1cc(no1)[*:1] Cc1ccc(cc1)Sc1nsc(n1)NC(=O)[*:1]
CC(C)(C)N1C[C@H]([NH2+][C@H](Cc2ccccn2)C2CC2)CC1=O C1CC1[*:1] CC(C)(C)N1C[C@@H](CC1=O)[NH2+][C@H](Cc1ccccn1)[*:1]
CC(C)(C)N1C[C@H]([NH2+][C@H](Cc2ccccn2)C2CC2)CC1=O c1ccc(nc1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)[NH2+][C@H](C[*:1])C1CC1
CC(C)(C)N1C[C@H]([NH2+][C@H](Cc2ccccn2)C2CC2)CC1=O c1ccc(C[*:1])nc1 CC(C)(C)N1C[C@@H](CC1=O)[NH2+][C@H](C1CC1)[*:1]
CC(C)(C)N1C[C@H]([NH2+][C@H](Cc2ccccn2)C2CC2)CC1=O CC(C)(C)[*:1] O=C1C[C@H](CN1[*:1])[NH2+][C@H](Cc1ccccn1)C1CC1
CSCC[C@H](C)N(C)C(=O)[C@H]1CN(C)CCO1 CSCC[*:1] C[C@H](N(C)C(=O)[C@H]1CN(C)CCO1)[*:1]
CSCC[C@H](C)N(C)C(=O)[C@H]1CN(C)CCO1 CSC[*:1] C[C@@H](C[*:1])N(C)C(=O)[C@H]1CN(C)CCO1
Cc1ccsc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 Cc1ccsc1C[*:1] O=C(NCCc1cccs1)C1CC[NH+](CC1)[*:1]
Cc1ccsc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 Cc1ccsc1[*:1] O=C(NCCc1cccs1)C1CC[NH+](CC1)C[*:1]
Cc1ccsc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 c1csc(c1)C[*:1] Cc1ccsc1C[NH+]1CCC(CC1)C(=O)NC[*:1]
Cc1ccsc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 c1csc(c1)CC[*:1] Cc1ccsc1C[NH+]1CCC(CC1)C(=O)N[*:1]
Cc1ccsc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 c1csc(c1)[*:1] Cc1ccsc1C[NH+]1CCC(CC1)C(=O)NCC[*:1]
CS[C@@H](C)CNS(=O)(=O)CCC1CC1 C1CC1C[*:1] CS[C@@H](C)CNS(=O)(=O)C[*:1]
CS[C@@H](C)CNS(=O)(=O)CCC1CC1 CS[C@@H](C)[*:1] O=S(=O)(CCC1CC1)NC[*:1]
CS[C@@H](C)CNS(=O)(=O)CCC1CC1 C1CC1[*:1] CS[C@@H](C)CNS(=O)(=O)CC[*:1]
Cc1ccc(N[C@@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(N[C@@H]2CCN(C)C2=O)c(c1)[*:1]
CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1 CCOC(=O)[*:1] O=C(C[C@@H]1SC[C@@H](NC1=O)[*:1])Nc1cccc(c1)C(F)(F)F
CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1 FC(F)(F)[*:1] CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2cccc(c2)[*:1])C(=O)N1
Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)coc2c1 Cc1ccnc(n1)[*:1] Cc1ccc2c(coc2c1)CC(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)coc2c1 Cc1ccc2c(coc2c1)[*:1] Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
O=C(COc1ccccc1Cl)Nc1cccc(C(=O)NC2CCCCC2)c1 O=C(NC1CCCCC1)[*:1] O=C(COc1ccccc1Cl)Nc1cccc(c1)[*:1]
O=C(COc1ccccc1Cl)Nc1cccc(C(=O)NC2CCCCC2)c1 Clc1ccccc1[*:1] O=C(CO[*:1])Nc1cccc(c1)C(=O)NC1CCCCC1
O=C(COc1ccccc1Cl)Nc1cccc(C(=O)NC2CCCCC2)c1 Clc1ccccc1O[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)NC1CCCCC1
O=C(COc1ccccc1Cl)Nc1cccc(C(=O)NC2CCCCC2)c1 Clc1ccccc1OC[*:1] O=C(NC1CCCCC1)c1cccc(c1)NC(=O)[*:1]
O=C(COc1ccccc1Cl)Nc1cccc(C(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(COc1ccccc1Cl)Nc1cccc(c1)C(=O)N[*:1]
CCCn1ncc(C(=O)N2C[C@H](CO)OC[C@@H]2C)c1C1CC1 CCC[*:1] C[C@H]1CO[C@@H](CO)CN1C(=O)c1cnn(c1C1CC1)[*:1]
CCCn1ncc(C(=O)N2C[C@H](CO)OC[C@@H]2C)c1C1CC1 C1CC1[*:1] CCCn1ncc(C(=O)N2C[C@H](CO)OC[C@@H]2C)c1[*:1]
CCNc1cc(COc2ccccc2F)ccc1[N+](=O)[O-] Fc1ccccc1[*:1] CCNc1cc(ccc1[N+](=O)[O-])CO[*:1]
CCNc1cc(COc2ccccc2F)ccc1[N+](=O)[O-] CCN[*:1] O=[N+]([O-])c1ccc(cc1[*:1])COc1ccccc1F
CCNc1cc(COc2ccccc2F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1cc(ccc1[*:1])COc1ccccc1F
Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH+](C)C1(C(N)=O)CCCC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)C[NH+](C)C1(CCCC1)C(N)=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH+](C)C1(C(N)=O)CCCC1 NC(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH+](C)C1(CCCC1)[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 C1CCC(C1)O[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(c(F)c1)[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 Cc1n[nH]c(C)c1[*:1] O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCC[C@H]1[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 C1CCC(C1)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(O[*:1])c(F)c1
C[C@@H](CC(=O)NCc1ccnc(OC2CCC2)c1)c1ccccc1 C1CC(C1)[*:1] C[C@@H](CC(=O)NCc1ccnc(c1)O[*:1])c1ccccc1
C[C@@H](CC(=O)NCc1ccnc(OC2CCC2)c1)c1ccccc1 C1CC(C1)O[*:1] C[C@@H](CC(=O)NCc1ccnc(c1)[*:1])c1ccccc1
C[C@@H](CC(=O)NCc1ccnc(OC2CCC2)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)NCc1ccnc(c1)OC1CCC1)[*:1]
C[C@@H](CC(=O)NCc1ccnc(OC2CCC2)c1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(C[*:1])NCc1ccnc(c1)OC1CCC1
Cc1cc(C)nc(Nc2cc(C)nc(C3CN(c4ncccn4)C3)n2)n1 c1cnc(nc1)[*:1] Cc1cc(C)nc(n1)Nc1cc(C)nc(n1)C1CN(C1)[*:1]
Cc1cc(C)nc(Nc2cc(C)nc(C3CN(c4ncccn4)C3)n2)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(nc(n1)C1CN(C1)c1ncccn1)N[*:1]
Cc1cccn2nc(NCc3ccc(Br)s3)nc12 Brc1ccc(s1)[*:1] Cc1cccn2nc(nc12)NC[*:1]
C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cnn(c1)[*:1]
[NH3+][C@H](C(=O)[O-])c1cc(F)c(Cl)c(Cl)c1 O=C([O-])[*:1] [NH3+][C@H](c1cc(F)c(Cl)c(Cl)c1)[*:1]
C=CCCC(=O)N[C@H](C)c1c(C)noc1C C=CC[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)C[*:1]
C=CCCC(=O)N[C@H](C)c1c(C)noc1C C=CCC[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[*:1]
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnc3snnc3c2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)[C@H](NC(=O)c1cnc2snnc2c1)[*:1]
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnc3snnc3c2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)[C@H](C[*:1])NC(=O)c1cnc2snnc2c1
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnc3snnc3c2)c1 Cc1cccc(c1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1cnc2snnc2c1
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnc3snnc3c2)c1 Cc1cccc(c1)NC(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1cnc2snnc2c1
Cc1cncc(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)c1 Cc1cncc(c1)[*:1] CS(=O)(=O)c1ccc(cc1)OCCNC(=O)[*:1]
Cc1cncc(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] Cc1cncc(c1)C(=O)NCCOc1ccc(cc1)[*:1]
CN(C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc12)[C@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] CN(C(=O)c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)[N-][*:1])[C@H]1CCS(=O)(=O)C1
CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc[nH]2)[C@H](C#N)C1 CC(C)(C)[*:1] N#C[C@@H]1CN(CCN1C(=O)Cc1ccc[nH]1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc[nH]2)[C@H](C#N)C1 c1c[nH]c(c1)[*:1] CC(C)(C)OC(=O)N1CCN(C(=O)C[*:1])[C@H](C#N)C1
CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc[nH]2)[C@H](C#N)C1 c1c[nH]c(c1)C[*:1] CC(C)(C)OC(=O)N1CCN(C(=O)[*:1])[C@H](C#N)C1
O=c1c2c3c(sc2ncn1/N=C/c1ccco1)CCCC3 c1coc(c1)[*:1] O=c1c2c3CCCCc3sc2ncn1N=C[*:1]
CS(=O)(=O)N1CCc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2C1 FC(F)(F)[*:1] CS(=O)(=O)N1CCc2nc(NC(=O)c3cccc(c3)[*:1])sc2C1
Cc1nn(C)cc1-c1cc(-c2cnn(-c3ccccc3F)c2)nc(N)c1C#N Fc1ccccc1[*:1] Cc1nn(C)cc1-c1cc(nc(N)c1C#N)-c1cnn(c1)[*:1]
Cc1nn(C)cc1-c1cc(-c2cnn(-c3ccccc3F)c2)nc(N)c1C#N Cc1nn(C)cc1[*:1] N#Cc1c(cc(nc1N)-c1cnn(c1)-c1ccccc1F)[*:1]
C[C@H]1CC[C@H](C)N(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)NCCC(=O)N1CCN(CC1)[*:1]
CCn1c(C[C@H](O)c2ccccc2F)nc2ccccc21 Fc1ccccc1[*:1] CCn1c(C[C@H](O)[*:1])nc2ccccc21
Cc1ccccc1-n1ncc2c(O)nc(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)nc21 Cc1ccccc1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)CSc1nc(O)c2cnn(c2n1)[*:1]
CCc1nn(C)cc1CNc1ccc(NC(=O)N2CCCCCC2)cc1 CCc1nn(C)cc1[*:1] O=C(Nc1ccc(cc1)NC[*:1])N1CCCCCC1
COc1ccc([C@H](C)CCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](C)CCNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
COc1ccc([C@H](C)CCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 COc1ccc(cc1)[*:1] C[C@H](CCNC(=O)N[C@H]1CC(=O)N(C1)C1CC1)[*:1]
COc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C)ccc(C)c3s2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C)ccc(C)c3s2)c(cc1OC)[*:1]
COc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C)ccc(C)c3s2)c([N+](=O)[O-])cc1OC Cc1ccc(C)c2sc(nc12)[*:1] COc1cc(C(=O)N(C[C@@H]2CCCO2)[*:1])c(cc1OC)[N+](=O)[O-]
C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)Nc2ccccc2)[C@H]1c1ccco1 c1coc(c1)[*:1] C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)Nc2ccccc2)[C@@H]1[*:1]
C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)Nc2ccccc2)[C@H]1c1ccco1 O=C(Nc1ccccc1)[*:1] C=CC[C@@]1(C#N)C(=S)NC(C)=C([C@H]1c1ccco1)[*:1]
C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)Nc2ccccc2)[C@H]1c1ccco1 C=CC[*:1] CC1NC(=S)[C@](C#N)([C@@H](C=1C(=O)Nc1ccccc1)c1ccco1)[*:1]
C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)Nc2ccccc2)[C@H]1c1ccco1 c1ccc(cc1)[*:1] C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)N[*:1])[C@H]1c1ccco1
Cc1cc2c(cc1C)O[C@H](C(=O)NCCC(=O)N(C)C)C2 CN(C)C(=O)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)NCC[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)NCCC(=O)N(C)C)C2 CN(C)C(=O)C[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)NC[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)NCCC(=O)N(C)C)C2 CN(C)C(=O)CC[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N[*:1]
COc1ccc(/C=C2\N=C(c3ccc(OC(F)F)cc3)OC2=O)cc1 FC(F)[*:1] COc1ccc(/C=C2\N=C(OC2=O)c2ccc(cc2)O[*:1])cc1
COc1ccc(/C=C2\N=C(c3ccc(OC(F)F)cc3)OC2=O)cc1 COc1ccc(cc1)[*:1] O=C1OC(=NC1=C[*:1])c1ccc(cc1)OC(F)F
COc1ccc(/C=C2\N=C(c3ccc(OC(F)F)cc3)OC2=O)cc1 FC(F)O[*:1] COc1ccc(/C=C2\N=C(OC2=O)c2ccc(cc2)[*:1])cc1
Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cn3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NC1CCN(CC1)c1ccc(cn1)OC(F)F)[*:1]
Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cn3)CC2)c(C)o1 FC(F)O[*:1] Cc1cc(C(=O)NC2CCN(CC2)c2ccc(cn2)[*:1])c(C)o1
Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cn3)CC2)c(C)o1 FC(F)[*:1] Cc1cc(C(=O)NC2CCN(CC2)c2ccc(cn2)O[*:1])c(C)o1
CCc1cccc(NC(=O)Cn2cnc3c([nH]c4ccccc43)c2=O)c1 CCc1cccc(c1)[*:1] O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)N[*:1]
CCOCCOC(=O)c1cccc2c1-c1ccccc1C2=O CCOCC[*:1] O=C(O[*:1])c1cccc2C(=O)c3ccccc3-c12
CCOCCOC(=O)c1cccc2c1-c1ccccc1C2=O CCOC[*:1] O=C(OC[*:1])c1cccc2C(=O)c3ccccc3-c12
CCOCCOC(=O)c1cccc2c1-c1ccccc1C2=O CCO[*:1] O=C(OCC[*:1])c1cccc2C(=O)c3ccccc3-c12
CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccnn1C)C(=O)[O-] Cn1nccc1[*:1] CC[C@@H](C)[C@H](NC(=O)C=C[*:1])C(=O)[O-]
CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccnn1C)C(=O)[O-] CC[C@@H](C)[*:1] Cn1nccc1/C=C/C(=O)N[C@H](C(=O)[O-])[*:1]
CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccnn1C)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccnn1C)[*:1]
CCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](C)N(C)c1ccccc1 CN(c1ccccc1)[*:1] CCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](C)[*:1]
CCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](C)N(C)c1ccccc1 CCC[*:1] C[C@@H](CNC(=O)[C@@H]1CSCN1C(=O)[*:1])N(C)c1ccccc1
CCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](C)N(C)c1ccccc1 c1ccc(cc1)[*:1] CCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](C)N(C)[*:1]
CCOC(=O)C1=C(C)N=C2SCC(CC(=O)Nc3ccc(F)cc3)=[N+]2[C@@H]1c1ccccc1 O=C(Nc1ccc(F)cc1)[*:1] CCOC(=O)C1=C(C)N=C2SCC(C[*:1])=[N+]2[C@@H]1c1ccccc1
CCOC(=O)C1=C(C)N=C2SCC(CC(=O)Nc3ccc(F)cc3)=[N+]2[C@@H]1c1ccccc1 Fc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N=C2SCC(CC(=O)N[*:1])=[N+]2[C@@H]1c1ccccc1
CCOC(=O)C1=C(C)N=C2SCC(CC(=O)Nc3ccc(F)cc3)=[N+]2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N=C2SCC(CC(=O)Nc3ccc(F)cc3)=[N+]2[C@H]1[*:1]
CCOC(=O)C1=C(C)N=C2SCC(CC(=O)Nc3ccc(F)cc3)=[N+]2[C@@H]1c1ccccc1 CCOC(=O)[*:1] CC1N=C2SCC(CC(=O)Nc3ccc(F)cc3)=[N+]2[C@@H](C=1[*:1])c1ccccc1
Cc1ccc2[nH+]c(N3CCC(C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)CC3)[nH]c2c1 Fc1ccc(cc1)[*:1] Cc1ccc2[nH+]c([nH]c2c1)N1CCC(CC1)C(=O)NCCC[NH+]1CCN(CC1)[*:1]
Cc1ccc(Sc2ncccc2C(=O)N[C@H](CO)c2ccco2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)Sc1ncccc1C(=O)N[C@H](CO)[*:1]
Cc1ccc(Sc2ncccc2C(=O)N[C@H](CO)c2ccco2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[C@H](CO)c1ccco1)c1cccnc1S[*:1]
C[C@@H](NC(=O)/C(C#N)=C\C=C\c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)/C(C#N)=C\C=C[*:1])c1ccccc1
C[C@@H](NC(=O)/C(C#N)=C\C=C\c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)/C(C#N)=C\C=C\c1ccccc1)[*:1]
O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1cccc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] O=c1c2cc(ccc2ncn1Cc1cccc(c1)[*:1])[N+](=O)[O-]
O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=c1c2cc(ccc2ncn1Cc1cccc(c1)O[*:1])[N+](=O)[O-]
O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] O=c1c2cc(ccc2ncn1Cc1cccc(c1)OC[*:1])[N+](=O)[O-]
O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1cccc(OCc2ccccc2)c1 O=[N+]([O-])[*:1] O=c1c2cc(ccc2ncn1Cc1cccc(c1)OCc1ccccc1)[*:1]
CC(C)c1noc([C@H](C)S(=O)(=O)c2cccc(F)c2)n1 CC(C)[*:1] C[C@@H](c1nc(no1)[*:1])S(=O)(=O)c1cccc(F)c1
Cc1ccc(-n2c(S[C@@H](C)C#N)nc3ccccc3c2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](C#N)Sc1nc2ccccc2c(=O)n1[*:1]
Cc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3)C2=O)cc1C Clc1cccc(c1)[*:1] Cc1ccc(cc1C)N1C(=O)C[C@H](N[*:1])C1=O
CSc1ccccc1NC(=O)CN(C)C(=O)Cn1nnc2ccccc2c1=O CSc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)Cn1nnc2ccccc2c1=O
CO[C@H](C)/C(N)=N/OCc1ncc(-c2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] CO[C@H](C)/C(N)=N/OCc1ncc(o1)[*:1]
CC(=O)/C(Sc1ncccn1)=C(\C)[O-] CC(=O)[*:1] C/C([O-])=C(/Sc1ncccn1)[*:1]
CCC(=O)NCC(=O)N(C)[C@@H](CC)CSC CSC[*:1] CCC(=O)NCC(=O)N(C)[C@@H](CC)[*:1]
CCC(=O)NCC(=O)N(C)[C@@H](CC)CSC CCC(=O)N[*:1] CC[C@@H](CSC)N(C)C(=O)C[*:1]
Cc1c(-c2nn3c(Cc4ccccc4)nnc3s2)nnn1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1c(nnn1-c1cccc(c1)[*:1])-c1nn2c(Cc3ccccc3)nnc2s1
Cc1c(-c2nn3c(Cc4ccccc4)nnc3s2)nnn1-c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1c(nnn1[*:1])-c1nn2c(Cc3ccccc3)nnc2s1
Cc1c(-c2nn3c(Cc4ccccc4)nnc3s2)nnn1-c1cccc(C(F)(F)F)c1 c1ccc(cc1)C[*:1] Cc1c(nnn1-c1cccc(c1)C(F)(F)F)-c1nn2c(nnc2s1)[*:1]
Cc1c(-c2nn3c(Cc4ccccc4)nnc3s2)nnn1-c1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] Cc1c(nnn1-c1cccc(c1)C(F)(F)F)-c1nn2c(C[*:1])nnc2s1
O=C1OCC[C@H]1[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 FC(F)(F)[*:1] O=C1OCC[C@H]1[NH+]1CCN(CC1)Cc1nc(no1)-c1cccc(c1)[*:1]
CC[C@H](NC(=O)CSc1nnnn1C)c1ccc(OC)cc1 Cn1nnnc1S[*:1] CC[C@H](NC(=O)C[*:1])c1ccc(cc1)OC
CC[C@H](NC(=O)CSc1nnnn1C)c1ccc(OC)cc1 Cn1nnnc1[*:1] CC[C@H](NC(=O)CS[*:1])c1ccc(cc1)OC
O=C(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)-c1ccc(Cl)cc1)N[*:1]
O=C(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1)Nc1nnc(s1)[*:1]
Cc1nn(C)c(C)c1CC(=O)OCCc1cccs1 c1csc(c1)C[*:1] Cc1nn(C)c(C)c1CC(=O)OC[*:1]
Cc1nn(C)c(C)c1CC(=O)OCCc1cccs1 c1csc(c1)[*:1] Cc1nn(C)c(C)c1CC(=O)OCC[*:1]
CC(C)[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1 CC(C)[*:1] C[C@H]([NH2+][C@@H](CO)[*:1])c1cc(F)cc(F)c1
CCc1ncc(CN(C)/C(=C/C#N)c2ccccc2)s1 c1ccc(cc1)[*:1] CCc1ncc(CN(C)/C(=C/C#N)[*:1])s1
CC(C)(C)[C@]1(c2c[nH+]cc3ccccc23)CCC[NH2+]1 CC(C)(C)[*:1] c1ccc2c(c[nH+]cc2c1)[C@@]1(CCC[NH2+]1)[*:1]
Cc1cc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=S)[nH]c3c2)ccc1Br c1ccc(cc1)[*:1] Cc1cc(ccc1Br)NC(=O)c1ccc2c(=O)n(c(=S)[nH]c2c1)[*:1]
Cc1cc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=S)[nH]c3c2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(N[*:1])c1ccc2c(=O)n(-c3ccccc3)c(=S)[nH]c2c1
CCNc1cncc(OCc2ccccc2)n1 CCN[*:1] c1ccc(cc1)COc1cncc(n1)[*:1]
O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)C1=C(N2)c2ccccc2C1=O c1cc2OCOc2cc1[*:1] O=C1CCCC2NC3=C(C(=O)c4ccccc43)[C@@H](C=21)[*:1]
N#Cc1ccccc1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] N#Cc1ccccc1[*:1] O=C(N[C@H](C[*:1])C(=O)[O-])OCC1c2ccccc2-c2ccccc21
N#Cc1ccccc1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] N#Cc1ccccc1C[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])OCC1c2ccccc2-c2ccccc21
N#Cc1ccccc1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] O=C([O-])[*:1] N#Cc1ccccc1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[*:1]
CCCCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O CCCC[*:1] O=C(CN1C(=O)C(=O)N(C1=O)[*:1])c1ccc2CCCc2c1
CCCCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O CCC[*:1] O=C(CN1C(=O)C(=O)N(C[*:1])C1=O)c1ccc2CCCc2c1
Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)Cn1cncn1)CCO2 c1ncn(n1)[*:1] Cc1ccccc1-c1cc(O)c2OCCN(Cc2c1)C(=O)C[*:1]
Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)Cn1cncn1)CCO2 c1ncn(C[*:1])n1 Cc1ccccc1-c1cc(O)c2OCCN(Cc2c1)C(=O)[*:1]
Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)Cn1cncn1)CCO2 Cc1ccccc1[*:1] O=C(Cn1cncn1)N1CCOc2c(O)cc(cc2C1)[*:1]
CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 CCC[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 CCCC[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 CCCCNC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] CCCCNC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1cc2c(cc1OC(=O)[C@H](C)NC(=O)c1ccoc1)CCCC2 c1cc(co1)[*:1] CC(=O)c1cc2CCCCc2cc1OC(=O)[C@H](C)NC(=O)[*:1]
CC(=O)c1cc2c(cc1OC(=O)[C@H](C)NC(=O)c1ccoc1)CCCC2 CC(=O)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)Oc1cc2CCCCc2cc1[*:1]
CC(=O)c1cc2c(cc1OC(=O)[C@H](C)NC(=O)c1ccoc1)CCCC2 O=C(N[*:1])c1ccoc1 CC(=O)c1cc2CCCCc2cc1OC(=O)[C@H](C)[*:1]
O=C(NCc1cc(-c2cccs2)on1)c1ccc(Cl)cc1Cl c1csc(c1)[*:1] O=C(NCc1cc(on1)[*:1])c1ccc(Cl)cc1Cl
COCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCOC)c(=O)n1C COCC[*:1] COCCn1c(=O)c2c(nc3N(N=C(C)Cn32)[*:1])n(C)c1=O
COCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCOC)c(=O)n1C COCC[*:1] COCCN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
COCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCOC)c(=O)n1C COC[*:1] COCCn1c(=O)c2c(nc3N(C[*:1])N=C(C)Cn32)n(C)c1=O
COCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCOC)c(=O)n1C COC[*:1] COCCN1N=C(C)Cn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
CC(C)[NH2+]CCOC(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)[NH2+]CCOC(=O)Nc1ccc(cc1)[*:1]
CC(C)[NH2+]CCOC(=O)Nc1ccc([N+](=O)[O-])cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])OCC[NH2+][*:1]
O=C(/C=C/c1c(Cl)cccc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 Clc1cccc(Cl)c1[*:1] O=C(C=C[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
COc1ccc(NC(=O)c2ccc(CSc3nnc(N)s3)cc2)cc1 Nc1nnc(SC[*:1])s1 COc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)c2ccc(CSc3nnc(N)s3)cc2)cc1 Nc1nnc(S[*:1])s1 COc1ccc(cc1)NC(=O)c1ccc(cc1)C[*:1]
COc1ccc(NC(=O)c2ccc(CSc3nnc(N)s3)cc2)cc1 COc1ccc(cc1)[*:1] Nc1nnc(SCc2ccc(cc2)C(=O)N[*:1])s1
COc1ccc(NC(=O)c2ccc(CSc3nnc(N)s3)cc2)cc1 Nc1nnc(s1)[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)CS[*:1]
CCc1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1 Cc1nc(cs1)C[*:1] CCc1ccccc1NC(=O)CN1CCN(CC1)[*:1]
CCc1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1 CCc1ccccc1[*:1] Cc1nc(cs1)CN1CCN(CC1)CC(=O)N[*:1]
CCc1ccccc1NC(=O)CN1CCN(Cc2csc(C)n2)CC1 Cc1nc(cs1)[*:1] CCc1ccccc1NC(=O)CN1CCN(CC1)C[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)CCCn1cncn1 c1ncn(n1)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)CCC[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)CCCn1cncn1 c1ncn(C[*:1])n1 COc1ccccc1[C@@H]1CCCN1C(=O)CC[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)CCCn1cncn1 c1ncn(CC[*:1])n1 COc1ccccc1[C@@H]1CCCN1C(=O)C[*:1]
Cc1ccc(CS(=O)(=O)[C@H](C)C(=O)Nc2cccc(F)c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1cccc(F)c1)S(=O)(=O)C[*:1]
Cc1ccc(CS(=O)(=O)[C@H](C)C(=O)Nc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)CS(=O)(=O)[C@H](C)C(=O)N[*:1]
Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 Cc1cccc(c1)[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 COC[*:1] COc1cccc(c1)-c1ccc(cc1)NC(=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
COCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 COc1cccc(c1)[*:1] COCCC(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(cc1)[*:1]
COCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 COCC[*:1] COc1cccc(c1)-c1ccc(cc1)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(COc1cc(Cl)ccc1Cl)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 Clc1ccc(Cl)c(c1)[*:1] O=C(CO[*:1])NC[C@@H](O)c1ccc(cc1)[N+](=O)[O-]
O=C(COc1cc(Cl)ccc1Cl)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(COc1cc(Cl)ccc1Cl)NC[C@@H](O)c1ccc(cc1)[*:1]
CCc1nnc(NC(=O)c2nnn(-c3ccccc3OC)c2C)s1 CCc1nnc(s1)[*:1] COc1ccccc1-n1nnc(C(=O)N[*:1])c1C
CCc1nnc(NC(=O)c2nnn(-c3ccccc3OC)c2C)s1 COc1ccccc1[*:1] CCc1nnc(NC(=O)c2nnn(c2C)[*:1])s1
COc1cccc(C(=O)Nc2cn[nH]c2)c1 c1n[nH]cc1[*:1] COc1cccc(c1)C(=O)N[*:1]
C[C@H](C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)n1cc[nH+]c1 C1CO[C@@H](C1)C[*:1] C[C@H](C(=O)Nc1cc(F)ccc1O[*:1])n1cc[nH+]c1
C[C@H](C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)n1cc[nH+]c1 C1CO[C@@H](C1)[*:1] C[C@H](C(=O)Nc1cc(F)ccc1OC[*:1])n1cc[nH+]c1
C[C@H](C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)n1cc[nH+]c1 C1CO[C@@H](C1)CO[*:1] C[C@H](C(=O)Nc1cc(F)ccc1[*:1])n1cc[nH+]c1
CN(C)C(=O)c1ccc(CNC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 NC(=O)[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)N[C@@H](c1ccccc1)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)N[C@@H](C(N)=O)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 CN(C)C(=O)[*:1] NC(=O)[C@H](NC(=O)NCc1ccc(cc1)[*:1])c1ccccc1
COc1ccc(N2C[C@H](C(=O)NC[C@](C)(O)c3cccs3)CC2=O)cc1 COc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1cccs1
COc1ccc(N2C[C@H](C(=O)NC[C@](C)(O)c3cccs3)CC2=O)cc1 c1csc(c1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[C@](C)(O)[*:1]
CCc1nn(C)cc1C(=O)O[C@H](Cn1cncn1)c1ccc(Cl)cc1 CCc1nn(C)cc1[*:1] O=C(O[C@H](Cn1cncn1)c1ccc(Cl)cc1)[*:1]
CCc1nn(C)cc1C(=O)O[C@H](Cn1cncn1)c1ccc(Cl)cc1 c1ncn(n1)[*:1] CCc1nn(C)cc1C(=O)O[C@H](C[*:1])c1ccc(Cl)cc1
CCc1nn(C)cc1C(=O)O[C@H](Cn1cncn1)c1ccc(Cl)cc1 c1ncn(C[*:1])n1 CCc1nn(C)cc1C(=O)O[C@H](c1ccc(Cl)cc1)[*:1]
CCc1nn(C)cc1C(=O)O[C@H](Cn1cncn1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)O[C@H](Cn1cncn1)[*:1]
CCC(CC)N(CCO)C(=O)c1nc(C)n[nH]1 OCC[*:1] CCC(CC)N(C(=O)c1nc(C)n[nH]1)[*:1]
CCC(CC)N(CCO)C(=O)c1nc(C)n[nH]1 CCC(CC)[*:1] Cc1n[nH]c(n1)C(=O)N(CCO)[*:1]
Cc1ccc2cccc(C(=O)NCCNC(=O)CC3CCCC3)c2n1 C1CCC(C1)C[*:1] Cc1ccc2cccc(C(=O)NCCNC(=O)[*:1])c2n1
Cc1ccc2cccc(C(=O)NCCNC(=O)CC3CCCC3)c2n1 C1CCC(C1)[*:1] Cc1ccc2cccc(C(=O)NCCNC(=O)C[*:1])c2n1
CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)[N+](=O)[O-])[C@@H]1CCN(C1=O)[*:1]
CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O O=[N+]([O-])[*:1] CN(C(=O)c1ccc(cc1)[*:1])[C@@H]1CCN(C1=O)c1ccccc1
COc1ccc(-n2c(-c3ccccn3)nc3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c2ccccc2nc(-c2ccccn2)n1[*:1]
COc1ccc(-n2c(-c3ccccn3)nc3ccccc3c2=O)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)-n1c(nc2ccccc2c1=O)[*:1]
CCOc1ccccc1N1CCN(Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)CC1 CCO[*:1] COc1cc2nc(CN3CCN(CC3)c3ccccc3[*:1])[nH]c(=O)c2cc1OC
CCOc1ccccc1N1CCN(Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)CC1 CCOc1ccccc1[*:1] COc1cc2nc(CN3CCN(CC3)[*:1])[nH]c(=O)c2cc1OC
CSC[C@@H](C)NC(=O)Nc1ccc(C)c(F)c1 CSC[C@@H](C)[*:1] Cc1ccc(cc1F)NC(=O)N[*:1]
CSC[C@@H](C)NC(=O)Nc1ccc(C)c(F)c1 CSC[*:1] Cc1ccc(cc1F)NC(=O)N[C@H](C)[*:1]
Cc1noc(CCCNC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)n1 Cc1noc(n1)[*:1] C[C@@H]1CN(C(=O)NCCC[*:1])[C@@H]1c1ccccc1
Cc1noc(CCCNC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)n1 Cc1noc(C[*:1])n1 C[C@@H]1CN(C(=O)NCC[*:1])[C@@H]1c1ccccc1
Cc1noc(CCCNC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(CCCNC(=O)N2C[C@@H](C)[C@@H]2[*:1])n1
CC(C)c1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)on1 CC(C)[*:1] C[C@@H]1C[C@@H](CN1C(=O)c1cc(no1)[*:1])c1ccc(F)cc1
CC(C)c1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)on1 Fc1ccc(cc1)[*:1] CC(C)c1cc(on1)C(=O)N1C[C@@H](C[C@H]1C)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@@H](C)[C@H](O)C1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)N1CC[C@@H](C)[C@H](O)C1)[*:1]
COC(=O)c1cc(Br)cc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] COC(=O)c1cc(Br)cc(c1F)[*:1]
COC(=O)c1cc(Br)cc([N+](=O)[O-])c1F COC(=O)[*:1] O=[N+]([O-])c1cc(Br)cc(c1F)[*:1]
O=C(C/C=C/c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 Fc1ccc(cc1)[*:1] O=C(CC=C[*:1])N1CCN(CC1)C(=O)c1ccco1
O=C(C/C=C/c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(C/C=C/c1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
CC[NH2+]C[C@H](C)C(=O)NCC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] CC[NH2+]C[C@H](C)C(=O)NCC(C)(C)[*:1]
CC[C@H](C)[C@H](C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1)c1ccccc1 CC[C@H](C)[*:1] CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@H](c1ccccc1)[*:1]
CC[C@H](C)[C@H](C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1)[*:1]
Cc1c(Cn2cnc3ccc(Cl)cc3c2=O)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])Cn1cnc2ccc(Cl)cc2c1=O
COc1ccc(-c2nc3s/c(=C\c4sccc4C)c(=O)n3n2)cc1OC Cc1ccsc1[*:1] COc1ccc(cc1OC)-c1nc2sc(=C[*:1])c(=O)n2n1
CCCCC[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccccc1 CCC[*:1] O=C(N[C@H](CC[*:1])c1ccccc1)c1cnc2ccccn2c1=O
CCCCC[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccccc1 CCCC[*:1] O=C(N[C@H](C[*:1])c1ccccc1)c1cnc2ccccn2c1=O
CCCCC[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccccc1 c1ccc(cc1)[*:1] CCCCC[C@@H](NC(=O)c1cnc2ccccn2c1=O)[*:1]
CCCCC[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccccc1 CCCCC[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1cnc2ccccn2c1=O
O=C(Cc1ccccc1F)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 Fc1ccccc1C[*:1] O=C(C1CC1)N1CCc2c(C1)nc([nH]c2=O)[C@@H]1CCN(C1)C(=O)[*:1]
O=C(Cc1ccccc1F)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 C1CC1[*:1] O=C(Cc1ccccc1F)N1CC[C@H](C1)c1nc2CN(CCc2c(=O)[nH]1)C(=O)[*:1]
O=C(Cc1ccccc1F)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 Fc1ccccc1[*:1] O=C(C[*:1])N1CC[C@H](C1)c1nc2CN(CCc2c(=O)[nH]1)C(=O)C1CC1
Cc1cc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)c(C)o1 Cc1nc(no1)[*:1] Cc1cc(C(=O)N[C@H](c2ccccc2F)[*:1])c(C)o1
Cc1cc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)c(C)o1 Fc1ccccc1[*:1] Cc1cc(C(=O)N[C@H](c2noc(C)n2)[*:1])c(C)o1
Cc1cc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1nc(no1)[C@@H](NC(=O)[*:1])c1ccccc1F
O=C(C[C@H](O)c1cccc(F)c1)Nc1cc2c(cc1Cl)OCCCO2 Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])Nc1cc2OCCCOc2cc1Cl
Cc1c[nH]c(-c2c(-c3ccccc3)ncn2CCc2nc(C(C)C)no2)n1 CC(C)c1noc(n1)[*:1] Cc1c[nH]c(n1)-c1c(ncn1CC[*:1])-c1ccccc1
Cc1c[nH]c(-c2c(-c3ccccc3)ncn2CCc2nc(C(C)C)no2)n1 CC(C)[*:1] Cc1c[nH]c(n1)-c1c(ncn1CCc1nc(no1)[*:1])-c1ccccc1
Cc1c[nH]c(-c2c(-c3ccccc3)ncn2CCc2nc(C(C)C)no2)n1 CC(C)c1noc(C[*:1])n1 Cc1c[nH]c(n1)-c1c(ncn1C[*:1])-c1ccccc1
Cc1c[nH]c(-c2c(-c3ccccc3)ncn2CCc2nc(C(C)C)no2)n1 c1ccc(cc1)[*:1] Cc1c[nH]c(n1)-c1c(ncn1CCc1nc(no1)C(C)C)[*:1]
CC(C)[C@@H](C(=O)N1CCc2ccc(O)cc2C1)n1cnc2cc(F)c(F)cc21 CC(C)[*:1] O=C([C@@H](n1cnc2cc(F)c(F)cc21)[*:1])N1CCc2ccc(O)cc2C1
COC[C@@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl Fc1ccc(cc1)[*:1] COC[C@@H](C)[NH2+]Cc1cn(nc1-c1ccccc1Cl)[*:1]
COC[C@@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl Clc1ccccc1[*:1] COC[C@@H](C)[NH2+]Cc1cn(nc1[*:1])-c1ccc(F)cc1
COC[C@@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl COC[*:1] C[C@@H]([NH2+]Cc1cn(nc1-c1ccccc1Cl)-c1ccc(F)cc1)[*:1]
COc1ccc(-n2cc(CNC(=O)Nc3cnccc3C)nn2)cc1 Cc1ccncc1[*:1] COc1ccc(cc1)-n1cc(CNC(=O)N[*:1])nn1
COc1ccc(-n2cc(CNC(=O)Nc3cnccc3C)nn2)cc1 COc1ccc(cc1)[*:1] Cc1ccncc1NC(=O)NCc1cn(nn1)[*:1]
O=C(c1ccc(Cn2cccn2)o1)N1CCN(c2ccc(Cl)cn2)CC1 c1cnn(c1)C[*:1] O=C(c1ccc(o1)[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=C(c1ccc(Cn2cccn2)o1)N1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] O=C(c1ccc(Cn2cccn2)o1)N1CCN(CC1)[*:1]
O=C(c1ccc(Cn2cccn2)o1)N1CCN(c2ccc(Cl)cn2)CC1 c1cnn(c1)[*:1] O=C(c1ccc(C[*:1])o1)N1CCN(CC1)c1ccc(Cl)cn1
Cc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)C2=O)c(NC(=O)C2CC2)c1 C1CC1[*:1] Cc1ccc(c(c1)NC(=O)[*:1])N1CCCN(Cc2ccc(cc2)C(F)(F)F)C1=O
Cc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)C2=O)c(NC(=O)C2CC2)c1 FC(F)(F)[*:1] Cc1ccc(c(c1)NC(=O)C1CC1)N1CCCN(Cc2ccc(cc2)[*:1])C1=O
Cc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)C2=O)c(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 Cc1ccc(c(c1)[*:1])N1CCCN(Cc2ccc(cc2)C(F)(F)F)C1=O
Cc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)C2=O)c(NC(=O)C2CC2)c1 FC(F)(F)c1ccc(cc1)[*:1] Cc1ccc(c(c1)NC(=O)C1CC1)N1CCCN(C[*:1])C1=O
Cc1nn(C)c2ncc(C(=O)NN(c3ccccc3)c3ccccc3)cc12 c1ccc(cc1)[*:1] Cc1nn(C)c2ncc(cc12)C(=O)NN(c1ccccc1)[*:1]
CC(C)(C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC(C)(C)NC(=O)[C@H]1CC(=O)N(CC[*:1])C1
CC(C)(C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 CC(C)(C)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1
CC(C)(C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 CC(C)(C)NC(=O)[*:1] O=C1C[C@@H](CN1CCc1ccc(F)cc1)[*:1]
C[C@@H]1CCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)n2cccc2)[C@@H]1C c1ccn(c1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)[*:1])[C@@H]1C
C[C@@H]1CCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)n2cccc2)[C@@H]1C c1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)[C@@H](C[*:1])n2cccc2)[C@@H]1C
C[C@@H]1CCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)n2cccc2)[C@@H]1C c1ccc(cc1)C[*:1] C[C@@H]1CCC[C@@H](NC(=O)[C@@H](n2cccc2)[*:1])[C@@H]1C
CCCN1C(=O)[C@@](O)(CC(=O)c2ccncc2)c2cc(Cl)ccc21 O=C(c1ccncc1)[*:1] CCCN1C(=O)[C@@](O)(C[*:1])c2cc(Cl)ccc21
CCCN1C(=O)[C@@](O)(CC(=O)c2ccncc2)c2cc(Cl)ccc21 c1cc(ccn1)[*:1] CCCN1C(=O)[C@@](O)(CC(=O)[*:1])c2cc(Cl)ccc21
CCCN1C(=O)[C@@](O)(CC(=O)c2ccncc2)c2cc(Cl)ccc21 CCC[*:1] O=C(C[C@]1(O)C(=O)N(c2ccc(Cl)cc21)[*:1])c1ccncc1
CCOc1cc(CN2CCN(c3cncc(OC)n3)CC2)ccc1OC CCO[*:1] COc1cncc(n1)N1CCN(CC1)Cc1ccc(OC)c(c1)[*:1]
CCOc1cc(CN2CCN(c3cncc(OC)n3)CC2)ccc1OC COc1cncc(n1)[*:1] CCOc1cc(ccc1OC)CN1CCN(CC1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H](C)c2ccc(C(C)C)cc2)C1 CCNS(=O)(=O)[*:1] CC(C)c1ccc(cc1)[C@@H](C)CC(=O)N1CC[C@H](C1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H](C)c2ccc(C(C)C)cc2)C1 CC(C)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)C[C@H](C)c1ccc(cc1)[*:1]
COc1ccc(OC)c([C@H](C)NC(=O)C2CCOCC2)c1 C1CC(CCO1)[*:1] COc1ccc(OC)c(c1)[C@H](C)NC(=O)[*:1]
C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@@H]2c2cccnc2)C1 c1cncc(c1)[*:1] C[C@H]1Cc2ccccc2N(C1)C(=O)[C@@H]1C[C@H]1[*:1]
CS(=O)(=O)c1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 CS(=O)(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])Nc1cccc(c1)[N+](=O)[O-]
CS(=O)(=O)c1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc(cc1)CNC(=O)Nc1cccc(c1)[*:1]
COc1ccnc(Nc2ccc(N(C)C)[nH+]c2)n1 CN(C)[*:1] COc1ccnc(n1)Nc1ccc([nH+]c1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1ccc(F)cc1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(N(Cc1ccccn1)c1ccc(F)cc1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1ccc(F)cc1 c1ccc(nc1)[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N(C[*:1])c1ccc(F)cc1
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1ccc(F)cc1 c1ccc(C[*:1])nc1 O=C(c1ccc(o1)[N+](=O)[O-])N(c1ccc(F)cc1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1ccc(F)cc1 O=[N+]([O-])[*:1] O=C(c1ccc(o1)[*:1])N(Cc1ccccn1)c1ccc(F)cc1
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N(Cc1ccccn1)[*:1]
C[C@H](COc1ccc(F)cc1)NC(=O)NCc1cccnc1-n1cncn1 Fc1ccc(cc1)[*:1] C[C@H](CO[*:1])NC(=O)NCc1cccnc1-n1cncn1
C[C@H](COc1ccc(F)cc1)NC(=O)NCc1cccnc1-n1cncn1 Fc1ccc(cc1)O[*:1] C[C@H](C[*:1])NC(=O)NCc1cccnc1-n1cncn1
C[C@H](COc1ccc(F)cc1)NC(=O)NCc1cccnc1-n1cncn1 Fc1ccc(cc1)OC[*:1] C[C@H](NC(=O)NCc1cccnc1-n1cncn1)[*:1]
C[C@H](COc1ccc(F)cc1)NC(=O)NCc1cccnc1-n1cncn1 c1ncn(n1)[*:1] C[C@H](COc1ccc(F)cc1)NC(=O)NCc1cccnc1[*:1]
COc1cc(C(=O)NC2(C)Cc3ccccc3C2)ccc1OCc1cnn(C)c1 Cn1cc(cn1)C[*:1] COc1cc(ccc1O[*:1])C(=O)NC1(C)Cc2ccccc2C1
COc1cc(C(=O)NC2(C)Cc3ccccc3C2)ccc1OCc1cnn(C)c1 Cn1cc(cn1)CO[*:1] COc1cc(ccc1[*:1])C(=O)NC1(C)Cc2ccccc2C1
COc1cc(C(=O)NC2(C)Cc3ccccc3C2)ccc1OCc1cnn(C)c1 Cn1cc(cn1)[*:1] COc1cc(ccc1OC[*:1])C(=O)NC1(C)Cc2ccccc2C1
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H](C)C(=O)Nc1ccccc1 CC(C)(C)[*:1] Cc1nc([nH]c(=O)c1C(=O)N[C@H](C)C(=O)Nc1ccccc1)[*:1]
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H](C)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1C(=O)N[C@H](C)C(=O)N[*:1])C(C)(C)C
CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCN(C[*:1])C1=O
CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O O=[N+]([O-])[*:1] CN(Cc1cc(O)ccc1[*:1])[C@@H]1CCN(CC(F)(F)F)C1=O
CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCN(C1=O)[*:1]
CCOC(=O)[C@H]1C(=O)[C@]2(C)C=C[C@H]1C2(C)C CCOC(=O)[*:1] CC1(C)[C@@H]2C=C[C@@]1(C)C(=O)[C@@H]2[*:1]
CN(C)C(=O)CC[NH2+]Cc1cc(C(=O)[O-])cs1 O=C([O-])[*:1] CN(C)C(=O)CC[NH2+]Cc1cc(cs1)[*:1]
CN(C)C(=O)CC[NH2+]Cc1cc(C(=O)[O-])cs1 CN(C)C(=O)[*:1] O=C([O-])c1csc(c1)C[NH2+]CC[*:1]
C[C@@H](NC(=O)Cn1cnnn1)c1ccc(-c2ccc(F)cc2)cc1 c1nnnn1[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@@H](NC(=O)Cn1cnnn1)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1cnnn1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)Cn1cnnn1)c1ccc(-c2ccc(F)cc2)cc1 c1nnnn1C[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@@H]1CCC[C@@H](C)N1NC(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@@H]1CCC[C@@H](C)N1NC(=O)NC[*:1]
C[C@@H]1CCC[C@@H](C)N1NC(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@@H]1CCC[C@@H](C)N1NC(=O)N[*:1]
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)c1 N#Cc1cccc(c1)[*:1] O=S(=O)([N-]c1ccc(F)cc1OCC(F)F)[*:1]
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)c1 FC(F)[*:1] N#Cc1cccc(c1)S(=O)(=O)[N-]c1ccc(F)cc1OC[*:1]
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)c1 FC(F)C[*:1] N#Cc1cccc(c1)S(=O)(=O)[N-]c1ccc(F)cc1O[*:1]
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)c1 FC(F)CO[*:1] N#Cc1cccc(c1)S(=O)(=O)[N-]c1ccc(F)cc1[*:1]
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc2CCCc2c1
C[NH+](C)[C@@H](CNC(=O)N1CCO[C@@H](c2ccccc2F)C1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCO[C@H](C1)c1ccccc1F)[*:1]
C[NH+](C)[C@@H](CNC(=O)N1CCO[C@@H](c2ccccc2F)C1)c1cccc(F)c1 Fc1ccccc1[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCO[C@@H](C1)[*:1])c1cccc(F)c1
C[C@H](NC(=O)C1CCN(c2nc3ccsc3c(=O)n2-c2ccc(F)cc2)CC1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](NC(=O)C1CCN(CC1)c1nc2ccsc2c(=O)n1-c1ccc(F)cc1)[*:1]
C[C@H](NC(=O)C1CCN(c2nc3ccsc3c(=O)n2-c2ccc(F)cc2)CC1)c1cccnc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)C1CCN(CC1)c1nc2ccsc2c(=O)n1[*:1])c1cccnc1
N#C[C@@H](C(=O)c1cscn1)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] N#C[C@@H](C(=O)c1cscn1)c1nc(N)nc(n1)N[*:1]
N#C[C@@H](C(=O)c1cscn1)c1nc(N)nc(Nc2ccccc2)n1 O=C(c1cscn1)[*:1] N#C[C@@H](c1nc(N)nc(n1)Nc1ccccc1)[*:1]
N#C[C@@H](C(=O)c1cscn1)c1nc(N)nc(Nc2ccccc2)n1 c1nc(cs1)[*:1] N#C[C@@H](C(=O)[*:1])c1nc(N)nc(n1)Nc1ccccc1
N#C[C@@H](C(=O)c1cscn1)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] N#C[C@@H](C(=O)c1cscn1)c1nc(N)nc(n1)[*:1]
CCCn1ccc2ccc(NC(=O)[C@H](CC)c3c(C)noc3C)cc21 CCC[*:1] CC[C@@H](C(=O)Nc1ccc2ccn(c2c1)[*:1])c1c(C)noc1C
CCCn1ccc2ccc(NC(=O)[C@H](CC)c3c(C)noc3C)cc21 Cc1noc(C)c1[*:1] CCCn1ccc2ccc(cc21)NC(=O)[C@H](CC)[*:1]
COc1ccccc1N1CCN([C@H]2CCCN(C(=O)NCc3ccccc3)C2)CC1 c1ccc(cc1)C[*:1] COc1ccccc1N1CCN(CC1)[C@H]1CCCN(C1)C(=O)N[*:1]
COc1ccccc1N1CCN([C@H]2CCCN(C(=O)NCc3ccccc3)C2)CC1 COc1ccccc1[*:1] O=C(NCc1ccccc1)N1CCC[C@@H](C1)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN([C@H]2CCCN(C(=O)NCc3ccccc3)C2)CC1 c1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)[C@H]1CCCN(C1)C(=O)NC[*:1]
CS(=O)(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 Clc1ccc(cc1Cl)[*:1] CS(=O)(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(=NN12)[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)Nc2cc(C(C)C)on2)C1 CCC[*:1] CC(C)c1cc(no1)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)Nc2cc(C(C)C)on2)C1 CC(C)[*:1] CCCC(=O)N1CCC[C@H](C1)C(=O)Nc1cc(on1)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCC(c3nc4ccccc4s3)CC2)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CN2CCC(CC2)c2nc3ccccc3s2)C1=O)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCC(c3nc4ccccc4s3)CC2)C1=O c1ccc2sc(nc2c1)[*:1] CC[C@]1(NC(=O)N(CN2CCC(CC2)[*:1])C1=O)c1ccccc1
c1cn(-c2cc(C[NH2+][C@H]3C[C@H]4CC[C@@H]3C4)ccn2)cn1 c1cn(cn1)[*:1] c1cc(cc(n1)[*:1])C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2
C[C@@H](CN1CCSCC1)C(N)=[NH2+] NC(=[NH2+])[*:1] C[C@@H](CN1CCSCC1)[*:1]
c1ccc([C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C2CC2)cc1 c1ccc(cc1)[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCC[C@H]1N[C@H](C1CC1)[*:1]
c1ccc([C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C2CC2)cc1 C1CC1[*:1] c1ccc(cc1)[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[*:1]
Cc1ccc(-c2nc(CNC(=O)c3cc[nH]n3)[nH]c2-c2ccccn2)cc1 O=C(N[*:1])c1cc[nH]n1 Cc1ccc(cc1)-c1nc(C[*:1])[nH]c1-c1ccccn1
Cc1ccc(-c2nc(CNC(=O)c3cc[nH]n3)[nH]c2-c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)-c1nc(CNC(=O)c2cc[nH]n2)[nH]c1[*:1]
Cc1ccc(-c2nc(CNC(=O)c3cc[nH]n3)[nH]c2-c2ccccn2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1nc(c([nH]1)-c1ccccn1)[*:1])c1cc[nH]n1
Cc1ccc(-c2nc(CNC(=O)c3cc[nH]n3)[nH]c2-c2ccccn2)cc1 c1cc(n[nH]1)[*:1] Cc1ccc(cc1)-c1nc(CNC(=O)[*:1])[nH]c1-c1ccccn1
CC[C@H](NC(=O)c1ccc(CNC(C)=O)cc1)c1cccc(Cl)c1 CC(=O)N[*:1] CC[C@H](NC(=O)c1ccc(cc1)C[*:1])c1cccc(Cl)c1
CC[C@H](NC(=O)c1ccc(CNC(C)=O)cc1)c1cccc(Cl)c1 CC(=O)NC[*:1] CC[C@H](NC(=O)c1ccc(cc1)[*:1])c1cccc(Cl)c1
CC[C@H](NC(=O)c1ccc(CNC(C)=O)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H](NC(=O)c1ccc(cc1)CNC(C)=O)[*:1]
Nc1cc(NC(=O)c2ccco2)ccc1Cl c1coc(c1)[*:1] Nc1cc(ccc1Cl)NC(=O)[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cc(F)ccc1F CS(=O)(=O)C[*:1] C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1F)[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cc(F)ccc1F CS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1cc(F)ccc1F
C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cc(F)ccc1F C[C@H](CS(C)(=O)=O)[*:1] O=C(Nc1cc(F)ccc1F)C(=O)N[*:1]
COC(=O)c1ccccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 O[C@H](C[*:1])c1ccccc1 COC(=O)c1ccccc1NC(=O)N1CCC[C@H]1[*:1]
COC(=O)c1ccccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] COC(=O)c1ccccc1NC(=O)N1CCC[C@@H]1C[*:1]
COC(=O)c1ccccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@@H]1C[C@@H](O)c1ccccc1
COC(=O)c1ccccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)[*:1]
CCCCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(=O)n(CC)c2)C1(C)C CCCC[*:1] CCn1cc(ccc1=O)NC(=O)N(C)[C@@H]1C[C@H](O[*:1])C1(C)C
CCCCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(=O)n(CC)c2)C1(C)C CCC[*:1] CCn1cc(ccc1=O)NC(=O)N(C)[C@@H]1C[C@H](OC[*:1])C1(C)C
CCCCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(=O)n(CC)c2)C1(C)C CCCCO[*:1] CCn1cc(ccc1=O)NC(=O)N(C)[C@@H]1C[C@@H](C1(C)C)[*:1]
Cc1ccccc1OCCn1c(C=O)nc2ccccc21 Cc1ccccc1[*:1] O=Cc1nc2ccccc2n1CCO[*:1]
COC(=O)c1cc(CNC(=O)[C@@H]2C[C@@H]2C)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)[C@@H]1C[C@@H]1C
COC(=O)c1cc(CNC(=O)[C@@H]2C[C@@H]2C)oc1C C[C@H]1C[C@H]1[*:1] COC(=O)c1cc(CNC(=O)[*:1])oc1C
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccc(c1)[*:1]
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 O=C([O-])[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1[*:1]
Cc1ccc([C@H](C)NC(=O)c2c(F)cc(Br)cc2F)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)c1c(F)cc(Br)cc1F)[*:1]
Cc1ccc(/C=C/C(=O)c2ccc(NC3=NCCCS3)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(C=C[*:1])c1ccc(cc1)NC1=NCCCS1
Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1nnc(o1)SCC(=O)Nc1c(C)n(C)n(c1=O)[*:1]
Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)c1 Cc1cccc(c1)[*:1] Cc1c(NC(=O)CSc2nnc(o2)[*:1])c(=O)n(-c2ccccc2)n1C
CC(=O)Oc1ccccc1C1=NN(C(C)=O)[C@@H](c2ccco2)O1 CC(=O)O[*:1] CC(=O)N1N=C(O[C@@H]1c1ccco1)c1ccccc1[*:1]
CC(=O)Oc1ccccc1C1=NN(C(C)=O)[C@@H](c2ccco2)O1 c1coc(c1)[*:1] CC(=O)Oc1ccccc1C1=NN(C(C)=O)[C@@H](O1)[*:1]
O=C(C[C@H]([NH2+]Cc1ccco1)C(=O)[O-])Nc1ccc(O)cc1 c1coc(c1)[*:1] O=C(C[C@H]([NH2+]C[*:1])C(=O)[O-])Nc1ccc(O)cc1
O=C(C[C@H]([NH2+]Cc1ccco1)C(=O)[O-])Nc1ccc(O)cc1 c1coc(c1)C[*:1] O=C(C[C@H]([NH2+][*:1])C(=O)[O-])Nc1ccc(O)cc1
O=C(C[C@H]([NH2+]Cc1ccco1)C(=O)[O-])Nc1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(C[C@H]([NH2+]Cc1ccco1)C(=O)[O-])N[*:1]
COc1ccccc1CNC(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 COc1ccccc1[*:1] O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)NC[*:1]
Cc1ccccc1[C@@H](C)NC(=O)C1CCOCC1 C1CC(CCO1)[*:1] Cc1ccccc1[C@@H](C)NC(=O)[*:1]
C[C@]1(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(Cl)Cl FC(F)(F)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NNc1ccc(cc1[N+](=O)[O-])[*:1]
C[C@]1(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(Cl)Cl O=[N+]([O-])[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NNc1ccc(cc1[*:1])C(F)(F)F
CCn1c(C)nc([N+](=O)[O-])c1Sc1ccccc1 c1ccc(cc1)[*:1] CCn1c(C)nc(c1S[*:1])[N+](=O)[O-]
CCn1c(C)nc([N+](=O)[O-])c1Sc1ccccc1 O=[N+]([O-])[*:1] CCn1c(C)nc(c1Sc1ccccc1)[*:1]
Cc1c([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cnn1-c1ccccn1 C[C@H](O)C[*:1] Cc1c(cnn1-c1ccccn1)[C@@H](C)[NH2+]CC(C)(C)[*:1]
Cc1c([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cnn1-c1ccccn1 C[C@H](O)[*:1] Cc1c(cnn1-c1ccccn1)[C@@H](C)[NH2+]CC(C)(C)C[*:1]
Cc1c([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O
Cc1ccc(SCCC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 NC(=O)[*:1] Cc1ccc(cc1)SCCC(=O)NC1CC[NH+](CC1)C[*:1]
Cc1ccc(SCCC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 NC(=O)C[*:1] Cc1ccc(cc1)SCCC(=O)NC1CC[NH+](CC1)[*:1]
Cc1ccc(SCCC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 Cc1ccc(cc1)[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)CCS[*:1]
COCCNC(=O)NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 COCCNC(=O)N[*:1] O=C(Nc1ccc2OCOc2c1)c1nnc(C[*:1])s1
COCCNC(=O)NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 COC[*:1] O=C(NCc1nnc(s1)C(=O)Nc1ccc2OCOc2c1)NC[*:1]
COCCNC(=O)NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 COCC[*:1] O=C(NCc1nnc(s1)C(=O)Nc1ccc2OCOc2c1)N[*:1]
Cc1cccc(OC(F)F)c1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1 FC(F)[*:1] Cc1cccc(O[*:1])c1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1
Cc1cccc(OC(F)F)c1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1 FC(F)O[*:1] Cc1cccc(c1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1)[*:1]
Cc1cccc(OC(F)F)c1NC(=O)NC[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1cccc(OC(F)F)c1NC(=O)NC[C@@H](O)[*:1]
CCc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(C)cc4)c3=O)n2)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)-c1noc(Cn2cnc3c(nnn3C[*:1])c2=O)n1
CCc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(C)cc4)c3=O)n2)cc1 Cc1ccc(cc1)C[*:1] CCc1ccc(cc1)-c1noc(Cn2cnc3c(nnn3[*:1])c2=O)n1
CCc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(C)cc4)c3=O)n2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1nnc2c(=O)n(cnc21)Cc1nc(no1)[*:1]
COc1ccccc1OC(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1OC(=O)N[C@@H](C)[*:1]
O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 C1CC1[*:1] O=C(Nc1cccc(c1)-c1nnnn1[*:1])C(=O)N1CC[C@H](C1)[NH+]1CCCC1
O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 C1CC1n1nnnc1[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1CC[C@H](C1)[NH+]1CCCC1
Cn1c(SCC(=O)NN=C2CCCCC2)nnc1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cn1c(nnc1[*:1])SCC(=O)NN=C1CCCCC1
Cc1cc(C)n(-c2nnc(SCC(=O)NCc3cccs3)n2N)n1 c1csc(c1)[*:1] Cc1cc(C)n(n1)-c1nnc(SCC(=O)NC[*:1])n1N
Cc1cc(C)n(-c2nnc(SCC(=O)NCc3cccs3)n2N)n1 Cc1cc(C)n(n1)[*:1] Nn1c(nnc1[*:1])SCC(=O)NCc1cccs1
Cc1cc(C)n(-c2nnc(SCC(=O)NCc3cccs3)n2N)n1 c1csc(c1)C[*:1] Cc1cc(C)n(n1)-c1nnc(SCC(=O)N[*:1])n1N
COC(=O)[C@@]1(F)CCN(Cc2ccc(OC)c(SC)c2)C1 COC(=O)[*:1] COc1ccc(cc1SC)CN1CC[C@](F)(C1)[*:1]
CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nnc(C2CC2)s1 c1csc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1nnc(s1)C1CC1
CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nnc(C2CC2)s1 C1CC1[*:1] CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nnc(s1)[*:1]
CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nnc(C2CC2)s1 CC(C)[*:1] O=C(N[C@H](C(=O)Nc1nnc(s1)C1CC1)[*:1])c1cccs1
COc1cccc2ccc(CN3CC[C@@H](c4nc(-c5cccs5)no4)C3)nc12 c1csc(c1)[*:1] COc1cccc2ccc(CN3CC[C@H](C3)c3nc(no3)[*:1])nc12
O=C(NCc1ccccc1Br)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 Brc1ccccc1C[*:1] O=C(N[*:1])c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21
O=C(NCc1ccccc1Br)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 Brc1ccccc1[*:1] O=C(NC[*:1])c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21
Cc1ccccc1-c1noc([C@@H](C)Sc2nc(-c3ccccn3)n[nH]2)n1 Cc1ccccc1[*:1] C[C@@H](Sc1nc(n[nH]1)-c1ccccn1)c1nc(no1)[*:1]
Cc1ccccc1-c1noc([C@@H](C)Sc2nc(-c3ccccn3)n[nH]2)n1 c1ccc(nc1)[*:1] Cc1ccccc1-c1noc(n1)[C@@H](C)Sc1nc(n[nH]1)[*:1]
C[C@H](O)c1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](O)c1nc2ccccc2n1C[C@H](O)CO[*:1]
C[C@H](O)c1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] C[C@H](O)c1nc2ccccc2n1C[C@H](O)C[*:1]
C[C@H](O)c1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 C[C@H](O)[*:1] O[C@H](COc1ccc(Cl)cc1)Cn1c(nc2ccccc21)[*:1]
O=C1Cc2cc(C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)ccc2N1 c1coc(c1)[*:1] O=C1Cc2cc(ccc2N1)C(=O)Nc1cccc(c1)S(=O)(=O)NC[*:1]
O=C1Cc2cc(C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)ccc2N1 c1coc(c1)C[*:1] O=C1Cc2cc(ccc2N1)C(=O)Nc1cccc(c1)S(=O)(=O)N[*:1]
O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] O=C(COC(=O)Cc1cccc2ccccc12)N[*:1]
O=C(/C=C/C1CC1)OC1CCN(c2[nH+]ncc3ccccc23)CC1 O=C(/C=C/C1CC1)O[*:1] c1ccc2c([nH+]ncc2c1)N1CCC(CC1)[*:1]
O=C(/C=C/C1CC1)OC1CCN(c2[nH+]ncc3ccccc23)CC1 C1CC1[*:1] O=C(C=C[*:1])OC1CCN(CC1)c1[nH+]ncc2ccccc12
O=C(/C=C/C1CC1)OC1CCN(c2[nH+]ncc3ccccc23)CC1 C(=C[*:1])C1CC1 O=C(OC1CCN(CC1)c1[nH+]ncc2ccccc12)[*:1]
CC/C(=C/C(=O)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-])N(C)C O=C([O-])[*:1] CC/C(=C/C(=O)[C@H](Cc1ccc(Cl)cc1Cl)[*:1])N(C)C
CC/C(=C/C(=O)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-])N(C)C CN(C)[*:1] CCC(=CC(=O)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)[O-])[*:1]
O=C(Cn1nnc2ccccc21)NCc1ccc(C[NH+]2CCCCC2)cc1 c1ccc2c(c1)nnn2[*:1] O=C(C[*:1])NCc1ccc(cc1)C[NH+]1CCCCC1
Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(C(=O)[O-])n1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)c1cccc(n1)C(=O)[O-])[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(C(=O)[O-])n1 O=C([O-])[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(n1)[*:1]
CC(C)[C@H](S[C@H](C)[C@@H](C)O)C(=O)N1CCc2ccccc2C1 C[C@@H](O)[*:1] CC(C)[C@H](S[C@H](C)[*:1])C(=O)N1CCc2ccccc2C1
CC(C)[C@H](S[C@H](C)[C@@H](C)O)C(=O)N1CCc2ccccc2C1 CC(C)[*:1] C[C@@H](O)[C@@H](C)S[C@H](C(=O)N1CCc2ccccc2C1)[*:1]
COc1cc([C@@H](C)N[C@H]2CC[C@H]([NH+](C)C)C2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])[C@@H](C)N[C@H]1CC[C@@H](C1)[NH+](C)C
COc1cc([C@@H](C)N[C@H]2CC[C@H]([NH+](C)C)C2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])[C@@H](C)N[C@H]1CC[C@@H](C1)[NH+](C)C
Cc1nc(CNc2ccc(CC#N)cc2)sc1C N#CC[*:1] Cc1nc(CNc2ccc(cc2)[*:1])sc1C
Cc1cc(C(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)c(C)n1C Cc1cc(c(C)n1C)[*:1] C[C@@H]1CCc2sc(cc2C1)-c1nnc(o1)SCC(=O)[*:1]
Cc1csc([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)n1 O=[N+]([O-])[*:1] Cc1csc(n1)[C@@H](C)NCc1ccc(c(F)c1)[*:1]
Cc1csc([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)n1 Cc1csc(n1)[*:1] C[C@@H](NCc1ccc(c(F)c1)[N+](=O)[O-])[*:1]
C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])c2cc(F)ccc2C(=O)N1 O=[N+]([O-])[*:1] C[C@H]1CN(C(=O)c2ccccc2[*:1])c2cc(F)ccc2C(=O)N1
CN1CC[NH+](CC(=O)[O-])C(C)(C)C1=O O=C([O-])C[*:1] CN1CC[NH+](C(C)(C)C1=O)[*:1]
CN1CC[NH+](CC(=O)[O-])C(C)(C)C1=O O=C([O-])[*:1] CN1CC[NH+](C[*:1])C(C)(C)C1=O
Cc1ccsc1C(=O)Nc1ccccc1C(C)C Cc1ccsc1[*:1] CC(C)c1ccccc1NC(=O)[*:1]
Cc1ccsc1C(=O)Nc1ccccc1C(C)C CC(C)[*:1] Cc1ccsc1C(=O)Nc1ccccc1[*:1]
COCCOc1ccccc1C(=O)N1C[C@H](C)OCC1(C)C COCCO[*:1] C[C@H]1CN(C(=O)c2ccccc2[*:1])C(C)(C)CO1
COCCOc1ccccc1C(=O)N1C[C@H](C)OCC1(C)C COC[*:1] C[C@H]1CN(C(=O)c2ccccc2OC[*:1])C(C)(C)CO1
COCCOc1ccccc1C(=O)N1C[C@H](C)OCC1(C)C COCC[*:1] C[C@H]1CN(C(=O)c2ccccc2O[*:1])C(C)(C)CO1
O=C(c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 FC(F)(F)[*:1] O=C(c1nn2c(N[C@@H](C[C@@H]2[*:1])c2ccco2)c1Cl)N1CCN(CC1)c1ccc(F)cc1
O=C(c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 c1coc(c1)[*:1] O=C(c1nn2c(N[C@H](C[C@H]2C(F)(F)F)[*:1])c1Cl)N1CCN(CC1)c1ccc(F)cc1
O=C(c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1nn2c(N[C@@H](C[C@H]2C(F)(F)F)c2ccco2)c1Cl)N1CCN(CC1)[*:1]
Cc1cc([N+](=O)[O-])c(Br)cn1 O=[N+]([O-])[*:1] Cc1cc(c(Br)cn1)[*:1]
Cc1c(Cl)cccc1OCC(=O)NNc1ccc(C(C)(C)C)nn1 Cc1c(Cl)cccc1[*:1] CC(C)(C)c1ccc(nn1)NNC(=O)CO[*:1]
Cc1c(Cl)cccc1OCC(=O)NNc1ccc(C(C)(C)C)nn1 CC(C)(C)[*:1] Cc1c(Cl)cccc1OCC(=O)NNc1ccc(nn1)[*:1]
COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)c(N)c2)C[C@H]1C COC(=O)[*:1] Cc1ccc(cc1N)S(=O)(=O)N1C[C@@H](C)[C@@H](C1)[*:1]
CN(C)C(=O)CCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 CN(C)C(=O)CCC[*:1] O=C(NC1CCCCC1)c1ccc(cc1)NC(=O)[*:1]
CN(C)C(=O)CCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] CN(C)C(=O)CCCC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CN(C)C(=O)CCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 CN(C)C(=O)[*:1] O=C(CCC[*:1])Nc1ccc(cc1)C(=O)NC1CCCCC1
CN(C)C(=O)CCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 CN(C)C(=O)C[*:1] O=C(CC[*:1])Nc1ccc(cc1)C(=O)NC1CCCCC1
CN(C)C(=O)CCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 CN(C)C(=O)CC[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)NC1CCCCC1
O=C(N/N=C/c1cccc2ccccc12)c1ccccc1O Oc1ccccc1[*:1] O=C(N/N=C/c1cccc2ccccc12)[*:1]
NC(=O)c1nn(CC(=O)N2CCC[C@@H]2c2cccs2)c(=O)c2ccccc12 NC(=O)[*:1] O=C(Cn1nc(c2ccccc2c1=O)[*:1])N1CCC[C@@H]1c1cccs1
NC(=O)c1nn(CC(=O)N2CCC[C@@H]2c2cccs2)c(=O)c2ccccc12 c1csc(c1)[*:1] NC(=O)c1nn(CC(=O)N2CCC[C@H]2[*:1])c(=O)c2ccccc12
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 O=[N+]([O-])[*:1] O=C(NNc1ccc(cc1)[*:1])[C@@]12CC[C@@H](C[C@@H]1Br)C2
Cc1ccccc1-n1nnnc1SCCCS(=O)(=O)c1ccccc1 Cc1ccccc1[*:1] O=S(=O)(CCCSc1nnnn1[*:1])c1ccccc1
Cc1ccccc1-n1nnnc1SCCCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1-n1nnnc1SCCCS(=O)(=O)[*:1]
COC(=O)CN(C)C(=O)c1cccc(-n2cccn2)n1 c1cnn(c1)[*:1] COC(=O)CN(C)C(=O)c1cccc(n1)[*:1]
COC(=O)CN(C)C(=O)c1cccc(-n2cccn2)n1 COC(=O)C[*:1] CN(C(=O)c1cccc(n1)-n1cccn1)[*:1]
COC(=O)CN(C)C(=O)c1cccc(-n2cccn2)n1 COC(=O)[*:1] CN(C[*:1])C(=O)c1cccc(n1)-n1cccn1
Cc1c(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)cnn1C Cc1c(cnn1C)C[*:1] Fc1ccccc1-c1nc2CCC[C@H]([NH2+][*:1])c2s1
Cc1c(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)cnn1C Fc1ccccc1[*:1] Cc1c(cnn1C)C[NH2+][C@H]1CCCc2nc(sc21)[*:1]
Cc1c(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)cnn1C Cc1c(cnn1C)[*:1] Fc1ccccc1-c1nc2CCC[C@H]([NH2+]C[*:1])c2s1
COc1ccc(CNC(=O)Cn2c(=O)c3cccn3c3ccc(F)cc32)cc1OC COc1ccc(cc1OC)[*:1] O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NC[*:1]
C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccc(Cl)cc1
C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)NC(=O)[*:1])c1ccccc1
C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)NC(=O)c1ccc(Cl)cc1)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N[C@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
Cc1cc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)n(C)n1 Cc1cc(n(C)n1)[*:1] CN(C)C(=O)c1cccc(c1)NCC(=O)N[*:1]
Cc1cc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)n(C)n1 CN(C)C(=O)[*:1] Cc1cc(NC(=O)CNc2cccc(c2)[*:1])n(C)n1
CNC(SCC(=O)NC[C@H]1CCCO1)=C1C(=O)CCCC1=O C1CO[C@H](C1)[*:1] CNC(SCC(=O)NC[*:1])=C1C(=O)CCCC1=O
CNC(SCC(=O)NC[C@H]1CCCO1)=C1C(=O)CCCC1=O C1CO[C@H](C1)C[*:1] CNC(SCC(=O)N[*:1])=C1C(=O)CCCC1=O
COc1cccc2cc([C@H](C)NC(=O)NCCNC(=O)C3CC3)oc12 O=C(NCC[*:1])C1CC1 COc1cccc2cc(oc12)[C@H](C)NC(=O)N[*:1]
COc1cccc2cc([C@H](C)NC(=O)NCCNC(=O)C3CC3)oc12 O=C(NC[*:1])C1CC1 COc1cccc2cc(oc12)[C@H](C)NC(=O)NC[*:1]
COc1cccc2cc([C@H](C)NC(=O)NCCNC(=O)C3CC3)oc12 O=C(N[*:1])C1CC1 COc1cccc2cc(oc12)[C@H](C)NC(=O)NCC[*:1]
COc1cccc2cc([C@H](C)NC(=O)NCCNC(=O)C3CC3)oc12 C1CC1[*:1] COc1cccc2cc(oc12)[C@H](C)NC(=O)NCCNC(=O)[*:1]
CCCc1ncc(C(=O)N(C)Cc2nnc(C3CC3)n2C)s1 C1CC1[*:1] CCCc1ncc(s1)C(=O)N(C)Cc1nnc(n1C)[*:1]
CCCc1ncc(C(=O)N(C)Cc2nnc(C3CC3)n2C)s1 CCC[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1cnc(s1)[*:1]
Cc1cc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCCO2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CCC(=O)[*:1])NNC(=O)[C@@H]1CCCO1
Cc1cc(C(=O)CCC(=O)NNC(=O)[C@@H]2CCCO2)c(C)s1 C1CO[C@@H](C1)[*:1] Cc1cc(C(=O)CCC(=O)NNC(=O)[*:1])c(C)s1
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H](Sc2nncs2)C1 O=C([O-])[*:1] C[NH2+][C@@]1(CCC[C@H](C1)Sc1nncs1)[*:1]
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H](Sc2nncs2)C1 c1nnc(s1)[*:1] C[NH2+][C@@]1(CCC[C@H](C1)S[*:1])C(=O)[O-]
CCS(=O)(=O)Nc1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1 COC(=O)[*:1] CCS(=O)(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
CCS(=O)(=O)Nc1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1 CCS(=O)(=O)N[*:1] COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Oc1cccc(Cl)c1)C2=O Clc1cccc(c1)[*:1] C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)O[*:1])C2=O
O=C(NCCSC(=O)c1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(SCCNC(=O)[*:1])c1ccc(F)cc1
O=C(NCCSC(=O)c1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCSC(=O)[*:1])c1ccc(F)cc1
COC(=O)NCCC(=O)N1CCOC[C@H]1C1CC1 COC(=O)N[*:1] O=C(CC[*:1])N1CCOC[C@H]1C1CC1
COC(=O)NCCC(=O)N1CCOC[C@H]1C1CC1 COC(=O)NC[*:1] O=C(C[*:1])N1CCOC[C@H]1C1CC1
COC(=O)NCCC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] COC(=O)NCCC(=O)N1CCOC[C@@H]1[*:1]
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(F)c1F c1ccc(cc1)C[*:1] C[C@@H](C1CC1)N(C(=O)Nc1cccc(F)c1F)[*:1]
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(F)c1F c1ccc(cc1)[*:1] C[C@@H](C1CC1)N(C[*:1])C(=O)Nc1cccc(F)c1F
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(F)c1F Fc1cccc(c1F)[*:1] C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)N[*:1]
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(F)c1F C1CC1[*:1] C[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc(F)c1F)[*:1]
COC1CC[NH+](CCNCc2cnc(-c3ccsc3)s2)CC1 c1cc(cs1)[*:1] COC1CC[NH+](CCNCc2cnc(s2)[*:1])CC1
CCOc1ccc2c(C(=O)Nc3ccc(F)c(F)c3)cc(=O)oc2c1 CCO[*:1] O=C(Nc1ccc(F)c(F)c1)c1cc(=O)oc2cc(ccc12)[*:1]
CCOc1ccc2c(C(=O)Nc3ccc(F)c(F)c3)cc(=O)oc2c1 Fc1ccc(cc1F)[*:1] CCOc1ccc2c(cc(=O)oc2c1)C(=O)N[*:1]
CCCCc1nnc(NC(=O)CCc2c(C)n[nH]c2C)s1 CCCC[*:1] Cc1n[nH]c(C)c1CCC(=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)CCc2c(C)n[nH]c2C)s1 Cc1n[nH]c(C)c1[*:1] CCCCc1nnc(NC(=O)CC[*:1])s1
CCCCc1nnc(NC(=O)CCc2c(C)n[nH]c2C)s1 CCC[*:1] Cc1n[nH]c(C)c1CCC(=O)Nc1nnc(C[*:1])s1
CC[C@@H](OC(=O)c1ccncc1Cl)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](OC(=O)c1ccncc1Cl)c1cccc(c1)[*:1]
CC[C@@H](OC(=O)c1ccncc1Cl)c1cccc([N+](=O)[O-])c1 Clc1cnccc1[*:1] CC[C@@H](OC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C([O-])Cc1ccc(S(=O)(=O)CC(=O)NCC2CC2)cc1 C1CC1[*:1] O=C([O-])Cc1ccc(cc1)S(=O)(=O)CC(=O)NC[*:1]
O=C([O-])Cc1ccc(S(=O)(=O)CC(=O)NCC2CC2)cc1 O=C(NCC1CC1)[*:1] O=C([O-])Cc1ccc(cc1)S(=O)(=O)C[*:1]
O=C([O-])Cc1ccc(S(=O)(=O)CC(=O)NCC2CC2)cc1 C1CC1C[*:1] O=C([O-])Cc1ccc(cc1)S(=O)(=O)CC(=O)N[*:1]
O=C([O-])Cc1ccc(S(=O)(=O)CC(=O)NCC2CC2)cc1 O=C([O-])C[*:1] O=C(CS(=O)(=O)c1ccc(cc1)[*:1])NCC1CC1
O=C([O-])Cc1ccc(S(=O)(=O)CC(=O)NCC2CC2)cc1 O=C([O-])[*:1] O=C(CS(=O)(=O)c1ccc(cc1)C[*:1])NCC1CC1
C[C@H](NC(=O)NCC1CCS(=O)(=O)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)NCC1CCS(=O)(=O)CC1)[*:1]
CC[C@@](C)(NC(=O)N[C@@H](C)c1cccc(Br)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)N[C@@H](C)c1cccc(Br)c1)[*:1]
Cc1n[nH]cc1C[NH2+]C1COC1 C1OCC1[*:1] Cc1n[nH]cc1C[NH2+][*:1]
N#C[C@@H]1COCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#C[C@@H]1COCCN1Cc1cc(Cl)ccc1[*:1]
c1ccc(-c2csc(C[C@]3(C4CC4)CCC[NH2+]3)n2)cc1 c1ccc(cc1)[*:1] c1sc(C[C@@]2(CCC[NH2+]2)C2CC2)nc1[*:1]
c1ccc(-c2csc(C[C@]3(C4CC4)CCC[NH2+]3)n2)cc1 C1CC1[*:1] c1ccc(cc1)-c1csc(C[C@@]2(CCC[NH2+]2)[*:1])n1
Cc1cc(C)c(/N=C(\O)CN(C)C(=O)c2cc3cc(C)ccc3nc2C)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1ccc2nc(C)c(cc2c1)C(=O)N(C)CC(O)=N[*:1]
CC(=O)c1cccc(C(=O)N2CC(Oc3c(C)cccc3C)C2)c1 CC(=O)[*:1] Cc1cccc(C)c1OC1CN(C1)C(=O)c1cccc(c1)[*:1]
CC(=O)c1cccc(C(=O)N2CC(Oc3c(C)cccc3C)C2)c1 Cc1cccc(C)c1[*:1] CC(=O)c1cccc(c1)C(=O)N1CC(C1)O[*:1]
CCCCN1C(=O)c2ccccc2[C@H]1OC CCCC[*:1] CO[C@@H]1c2ccccc2C(=O)N1[*:1]
CCCCN1C(=O)c2ccccc2[C@H]1OC CCC[*:1] CO[C@@H]1c2ccccc2C(=O)N1C[*:1]
COc1c(C)cnc(CNC(=O)N2CCN(C(=O)CCC(C)C)CC2)c1C CC(C)C[*:1] COc1c(C)cnc(CNC(=O)N2CCN(CC2)C(=O)C[*:1])c1C
COc1c(C)cnc(CNC(=O)N2CCN(C(=O)CCC(C)C)CC2)c1C CC(C)[*:1] COc1c(C)cnc(CNC(=O)N2CCN(CC2)C(=O)CC[*:1])c1C
COc1c(C)cnc(CNC(=O)N2CCN(C(=O)CCC(C)C)CC2)c1C CC(C)CC[*:1] COc1c(C)cnc(CNC(=O)N2CCN(CC2)C(=O)[*:1])c1C
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(F)c1 FC(F)(F)[*:1] Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(c2)[*:1])c(F)c1
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(CCNS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)N[*:1]
COc1ccc(CN2CC[NH+](Cc3cc4cc(-c5cccnc5)ccc4o3)CC2)cc1 COc1ccc(cc1)[*:1] c1cncc(c1)-c1ccc2oc(cc2c1)C[NH+]1CCN(CC1)C[*:1]
COc1ccc(CN2CC[NH+](Cc3cc4cc(-c5cccnc5)ccc4o3)CC2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)CN1CC[NH+](CC1)Cc1cc2cc(ccc2o1)[*:1]
COc1ccc(CN2CC[NH+](Cc3cc4cc(-c5cccnc5)ccc4o3)CC2)cc1 COc1ccc(cc1)C[*:1] c1cncc(c1)-c1ccc2oc(cc2c1)C[NH+]1CCN(CC1)[*:1]
CCOC(=O)N1CCN(C(=O)CCc2csc(NC(=O)c3ccc(Cl)cc3)n2)CC1 Clc1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)CCc1csc(n1)NC(=O)[*:1]
CCOC(=O)N1CCN(C(=O)CCc2csc(NC(=O)c3ccc(Cl)cc3)n2)CC1 O=C(N[*:1])c1ccc(Cl)cc1 CCOC(=O)N1CCN(CC1)C(=O)CCc1csc(n1)[*:1]
Cc1ccc(SCCC(=O)Nc2ccc(Cl)nn2)cc1C Clc1ccc(nn1)[*:1] Cc1ccc(cc1C)SCCC(=O)N[*:1]
C[C@H](Cc1ccccc1)OC(=O)c1cccc(C(=O)N2CCCC2)n1 O=C(N1CCCC1)[*:1] C[C@H](Cc1ccccc1)OC(=O)c1cccc(n1)[*:1]
C[C@H](Cc1ccccc1)OC(=O)c1cccc(C(=O)N2CCCC2)n1 c1ccc(cc1)C[*:1] C[C@H](OC(=O)c1cccc(n1)C(=O)N1CCCC1)[*:1]
C[C@H](Cc1ccccc1)OC(=O)c1cccc(C(=O)N2CCCC2)n1 c1ccc(cc1)[*:1] C[C@H](C[*:1])OC(=O)c1cccc(n1)C(=O)N1CCCC1
COc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)OCC(=O)N[C@H](C)[*:1]
COc1ccccc1NC1CCN(C(=O)NC2CC(C)C2)CC1 CC1CC(C1)[*:1] COc1ccccc1NC1CCN(CC1)C(=O)N[*:1]
Cc1nn(-c2ccc(C(=O)[O-])cc2)c(=O)c2ccccc12 O=C([O-])[*:1] Cc1nn(-c2ccc(cc2)[*:1])c(=O)c2ccccc12
COc1ccc(N[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)cn1 COc1ccc(cn1)[*:1] C[C@H](N[*:1])C(=O)N[C@H]1CCOc2ccccc21
COc1ccc(Cl)cc1N1C[C@H](C(=O)NCc2cccs2)CC1=O c1csc(c1)C[*:1] COc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)N[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)NCc2cccs2)CC1=O c1csc(c1)[*:1] COc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)NC[*:1]
COc1cccc([C@H](CO)NC(=O)[C@H](C)Oc2cccc(C#N)c2)c1 COc1cccc(c1)[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)N[C@@H](CO)[*:1]
COc1cccc([C@H](CO)NC(=O)[C@H](C)Oc2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] COc1cccc(c1)[C@H](CO)NC(=O)[C@H](C)O[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc3ccccc23)n2ncnc2N1 Cc1ccc(cc1)NC(=O)[*:1] CC1Nc2ncnn2[C@H](C=1[*:1])c1cccc2ccccc12
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc3ccccc23)n2ncnc2N1 c1ccc2c(cccc2c1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)Nc1ccc(C)cc1)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc3ccccc23)n2ncnc2N1 Cc1ccc(cc1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)N[*:1])c1cccc2ccccc12
Cc1ncc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)s1 Cc1ncc(s1)[*:1] CN(C)S(=O)(=O)c1ccc(F)c(c1)NC(=O)[*:1]
Cc1ncc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)s1 CN(C)S(=O)(=O)[*:1] Cc1ncc(s1)C(=O)Nc1cc(ccc1F)[*:1]
CC(C)[C@@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
CC(C)[C@@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1cccs1 CC(C)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N[C@@H](c1cccs1)[*:1]
C[C@@H]1C[C@@H]1N1C(=O)[C@H]2CCCN2C(=O)[C@H]1C C[C@@H]1C[C@H]1[*:1] C[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1[*:1]
Cc1ccc(NCc2nc3c(s2)CCC3)c(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1ccc(NCc2nc3CCCc3s2)c(c1)O[*:1]
Cc1ccc(NCc2nc3c(s2)CCC3)c(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1ccc(NCc2nc3CCCc3s2)c(c1)OC[*:1]
Cc1ccc(NCc2nc3c(s2)CCC3)c(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)CO[*:1] Cc1ccc(NCc2nc3CCCc3s2)c(c1)[*:1]
Cc1ccc(NCc2nc3c(s2)CCC3)c(OC[C@H]2CCCO2)c1 C1Cc2nc(sc2C1)[*:1] Cc1ccc(NC[*:1])c(c1)OC[C@H]1CCCO1
C[C@H]1CCC[C@@]2(CC1)C[NH+]=C(N)N2C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H]1CCC[C@@]2(CC1)C[NH+]=C(N)N2C[*:1]
C[C@H]1CCC[C@@]2(CC1)C[NH+]=C(N)N2C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@H]1CCC[C@@]2(CC1)C[NH+]=C(N)N2[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C#N)cc2)NC(=S)N1 Cc1ccc(c(C)c1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N[*:1])c1ccc(C#N)cc1
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C#N)cc2)NC(=S)N1 N#Cc1ccc(cc1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)Nc1ccc(C)cc1C)[*:1]
CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)NCc2ccco2)n1 CCC[*:1] O=C(CSc1nc(cc(=O)[nH]1)[*:1])NC(=O)NCc1ccco1
CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)NCc2ccco2)n1 c1coc(c1)[*:1] CCCc1cc(=O)[nH]c(n1)SCC(=O)NC(=O)NC[*:1]
CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)NCc2ccco2)n1 c1coc(c1)C[*:1] CCCc1cc(=O)[nH]c(n1)SCC(=O)NC(=O)N[*:1]
CCOc1nc(Nc2ccc(OC)c(F)c2)ccc1N CCO[*:1] COc1ccc(cc1F)Nc1ccc(N)c(n1)[*:1]
Cc1cccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1 Cc1cccc(c1)C[*:1] CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1)C(=O)NC[*:1]
Cc1cccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1 O=C(NCc1ccc(F)cc1)[*:1] Cc1cccc(c1)CCNC(=O)c1cc2C(=O)N(C)[C@@](C)(Cn2n1)[*:1]
Cc1cccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)CCNC(=O)c1cc2C(=O)N(C)[C@](C)(Cn2n1)C(=O)NC[*:1]
Cc1cccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1 Cc1cccc(c1)CC[*:1] CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1)C(=O)N[*:1]
Cc1cccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1 Cc1cccc(c1)[*:1] CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1)C(=O)NCC[*:1]
Cc1cccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1 Fc1ccc(cc1)C[*:1] Cc1cccc(c1)CCNC(=O)c1cc2C(=O)N(C)[C@](C)(Cn2n1)C(=O)N[*:1]
C=CCOc1cccc(/C=N\NC(=O)c2c(C)nc3ccccn23)c1 C=CCO[*:1] Cc1nc2ccccn2c1C(=O)N/N=C\c1cccc(c1)[*:1]
C=CCOc1cccc(/C=N\NC(=O)c2c(C)nc3ccccn23)c1 C=CC[*:1] Cc1nc2ccccn2c1C(=O)N/N=C\c1cccc(c1)O[*:1]
CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]Cc3cccnc3N)C2=O)cc1 Nc1ncccc1C[*:1] CC(C)c1ccc(cc1)CN1CCC[C@](O)(C[NH2+][*:1])C1=O
CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]Cc3cccnc3N)C2=O)cc1 Nc1ncccc1[*:1] CC(C)c1ccc(cc1)CN1CCC[C@](O)(C[NH2+]C[*:1])C1=O
CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]Cc3cccnc3N)C2=O)cc1 CC(C)c1ccc(cc1)[*:1] Nc1ncccc1C[NH2+]C[C@@]1(O)CCCN(C[*:1])C1=O
CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]Cc3cccnc3N)C2=O)cc1 CC(C)[*:1] Nc1ncccc1C[NH2+]C[C@@]1(O)CCCN(Cc2ccc(cc2)[*:1])C1=O
O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H]1c1nc2ccccc2s1 Fc1ccc(cc1Cl)[*:1] O=S(=O)(N1CCC[C@H]1c1nc2ccccc2s1)[*:1]
CCOC(=O)[C@@]1(CC)C(=O)O[C@@H](C(=O)NC2CCCCC2)[C@@H]1C C1CCC(CC1)[*:1] CCOC(=O)[C@@]1(CC)C(=O)O[C@@H](C(=O)N[*:1])[C@@H]1C
CCOC(=O)[C@@]1(CC)C(=O)O[C@@H](C(=O)NC2CCCCC2)[C@@H]1C CCOC(=O)[*:1] CC[C@]1(C(=O)O[C@@H](C(=O)NC2CCCCC2)[C@@H]1C)[*:1]
CCNC(=O)c1ccc(-c2nc(C)cs2)cc1 CCNC(=O)[*:1] Cc1csc(n1)-c1ccc(cc1)[*:1]
COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cc2ccc(OC)cc2[nH]c1=O COC(=O)C[*:1] COc1ccc2cc(c(=O)[nH]c2c1)[C@@H](c1c(O)n[nH]c1C)[*:1]
COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cc2ccc(OC)cc2[nH]c1=O COC(=O)[*:1] COc1ccc2cc(c(=O)[nH]c2c1)[C@H](C[*:1])c1c(O)n[nH]c1C
COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cc2ccc(OC)cc2[nH]c1=O Cc1[nH]nc(O)c1[*:1] COC(=O)C[C@H](c1cc2ccc(cc2[nH]c1=O)OC)[*:1]
Cc1ccnn1C[C@@H](C)CNC(=O)c1cc(C2CC2)nc2c1cnn2C C1CC1[*:1] Cc1ccnn1C[C@@H](C)CNC(=O)c1cc(nc2c1cnn2C)[*:1]
Cc1ccnn1C[C@@H](C)CNC(=O)c1cc(C2CC2)nc2c1cnn2C Cc1ccnn1[*:1] C[C@@H](CNC(=O)c1cc(nc2c1cnn2C)C1CC1)C[*:1]
Cc1ccnn1C[C@@H](C)CNC(=O)c1cc(C2CC2)nc2c1cnn2C Cc1ccnn1C[*:1] C[C@@H](CNC(=O)c1cc(nc2c1cnn2C)C1CC1)[*:1]
C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 CC(C)(C)[*:1] C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)O[*:1])C2=O)cc1
C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 C#CC[*:1] CC(C)(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(cc2)O[*:1])C1=O
C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 CC(C)(C)OC(=O)C[*:1] C#CCOc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1
C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 CC(C)(C)OC(=O)[*:1] C#CCOc1ccc(/C=C2\SC(=O)N(C[*:1])C2=O)cc1
C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 C#CCO[*:1] CC(C)(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(cc2)[*:1])C1=O
CCC[C@@]1(c2nnc3ccncn23)CC[NH2+]C1 CCC[*:1] c1cc2nnc(n2cn1)[C@]1(CC[NH2+]C1)[*:1]
CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(CCC(C)C)c1ccccc12 CC(C)CC[*:1] CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(c1ccccc12)[*:1]
CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(CCC(C)C)c1ccccc12 CC(C)[*:1] CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(CC[*:1])c1ccccc12
CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(CCC(C)C)c1ccccc12 CC(C)C[*:1] CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(C[*:1])c1ccccc12
O=C([O-])[C@@H]1CS[C@H](Cc2cccc(F)c2)C(=O)N1 O=C([O-])[*:1] O=C1N[C@@H](CS[C@@H]1Cc1cccc(F)c1)[*:1]
CCN(C)c1cccc(NC(=O)NCC2(O)CC[NH+](C)CC2)c1 CCN(C)[*:1] C[NH+]1CCC(O)(CC1)CNC(=O)Nc1cccc(c1)[*:1]
CCc1ccsc1CNC(=O)N1CCC(CC(=O)OC)CC1 COC(=O)[*:1] CCc1ccsc1CNC(=O)N1CCC(CC1)C[*:1]
CCc1ccsc1CNC(=O)N1CCC(CC(=O)OC)CC1 CCc1ccsc1[*:1] COC(=O)CC1CCN(CC1)C(=O)NC[*:1]
CCc1ccsc1CNC(=O)N1CCC(CC(=O)OC)CC1 COC(=O)C[*:1] CCc1ccsc1CNC(=O)N1CCC(CC1)[*:1]
COC(=O)c1cccn1C1CCN(C(=O)Cc2ccc(C)s2)CC1 COC(=O)[*:1] Cc1ccc(CC(=O)N2CCC(CC2)n2cccc2[*:1])s1
COC(=O)c1cccn1C1CCN(C(=O)Cc2ccc(C)s2)CC1 Cc1ccc(s1)[*:1] COC(=O)c1cccn1C1CCN(CC1)C(=O)C[*:1]
COC(=O)c1cccn1C1CCN(C(=O)Cc2ccc(C)s2)CC1 Cc1ccc(C[*:1])s1 COC(=O)c1cccn1C1CCN(CC1)C(=O)[*:1]
CC(C)(C)c1c(N2CCCCC2)c(=O)c1=O CC(C)(C)[*:1] O=c1c(c(c1=O)[*:1])N1CCCCC1
O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 c1ccc(cc1)[*:1] O=C(N1CCCc2cc(ccc21)NS(=O)(=O)c1ccc(F)cc1)[*:1]
O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] O=C(c1ccccc1)N1CCCc2cc(ccc21)NS(=O)(=O)[*:1]
Cc1nn(C)c(C)c1CC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 Cc1nn(C)c(C)c1C[*:1] C[C@@H](OC(=O)[*:1])c1nnc(o1)-c1ccc(cc1)[N+](=O)[O-]
Cc1nn(C)c(C)c1CC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] Cc1nn(C)c(C)c1CC(=O)O[C@H](C)c1nnc(o1)-c1ccc(cc1)[*:1]
Cc1nn(C)c(C)c1CC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CC(=O)O[C@H](C)c1nnc(o1)[*:1]
Cc1nn(C)c(C)c1CC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 Cc1nn(C)c(C)c1[*:1] C[C@@H](OC(=O)C[*:1])c1nnc(o1)-c1ccc(cc1)[N+](=O)[O-]
C[NH+](C)[C@@H](CNC(=O)CNC(=O)C1CCCCC1)c1ccccc1 C1CCC(CC1)[*:1] C[NH+](C)[C@@H](CNC(=O)CNC(=O)[*:1])c1ccccc1
C[NH+](C)[C@@H](CNC(=O)CNC(=O)C1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)CNC(=O)C1CCCCC1)[*:1]
Cc1c(C(=O)NCC(C2CC2)C2CC2)nnn1-c1cccc2cnccc12 C1CC1[*:1] Cc1c(nnn1-c1cccc2cnccc12)C(=O)NCC(C1CC1)[*:1]
Cc1c(C(=O)NCC(C2CC2)C2CC2)nnn1-c1cccc2cnccc12 C1CC1C(C1CC1)[*:1] Cc1c(nnn1-c1cccc2cnccc12)C(=O)NC[*:1]
Cc1c(C(=O)NCC(C2CC2)C2CC2)nnn1-c1cccc2cnccc12 C1CC1C(C[*:1])C1CC1 Cc1c(nnn1-c1cccc2cnccc12)C(=O)N[*:1]
CC[C@@]1(C)Cc2ccccc2-c2nc3n(CC(=O)Nc4ccccc4C)nc(SC)n3c(=O)c21 Cc1ccccc1[*:1] CC[C@@]1(C)Cc2ccccc2-c2nc3n(CC(=O)N[*:1])nc(SC)n3c(=O)c21
CC[C@@]1(C)Cc2ccccc2-c2nc3n(CC(=O)Nc4ccccc4C)nc(SC)n3c(=O)c21 Cc1ccccc1NC(=O)[*:1] CC[C@@]1(C)Cc2ccccc2-c2nc3n(C[*:1])nc(SC)n3c(=O)c21
CC[C@@]1(C)Cc2ccccc2-c2nc3n(CC(=O)Nc4ccccc4C)nc(SC)n3c(=O)c21 Cc1ccccc1NC(=O)C[*:1] CC[C@@]1(C)Cc2ccccc2-c2nc3n(nc(SC)n3c(=O)c21)[*:1]
O=C(C1CC[NH+](CCn2c(=O)oc3cccnc32)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=c1oc2cccnc2n1CC[NH+]1CCC(CC1)[*:1]
O=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H](CO)C[*:1]
O=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H](CO)[*:1]
NC(=O)c1cccc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 NC(=O)[*:1] Fc1cc(ccc1Cl)[C@@H]1OCC[C@H]1NCc1cccc(c1)[*:1]
NC(=O)c1cccc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 Fc1cc(ccc1Cl)[*:1] NC(=O)c1cccc(c1)CN[C@@H]1CCO[C@@H]1[*:1]
C[NH+](C)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 FC(F)(F)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(F)cc1[*:1]
O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1CSc2nc3CCCc3c(=O)n21)NC[*:1]
O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@H]1CSc2nc3CCCc3c(=O)n21)N[*:1]
C[NH+](C)CCCN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[NH+](C)CCCN1C(=O)CS[C@H]1c1cccc(c1)[*:1]
O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cnccn1 FC(F)(F)[*:1] O=C(NC[C@@H](O)c1ccc(cc1)[*:1])c1cnccn1
O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cnccn1 c1cnc(cn1)[*:1] O=C(NC[C@@H](O)c1ccc(cc1)C(F)(F)F)[*:1]
CCc1cccc(-n2c(C)nc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 CCc1cccc(c1)[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n(c(C)nc21)[*:1]
CCc1cccc(-n2c(C)nc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 Cc1ccc(cc1C)[*:1] CCc1cccc(c1)-n1c(C)nc2c(cnn2[*:1])c1=O
COc1ccc2c(c1)CC/C(=C\C=C\c1ccccc1[N+](=O)[O-])C2=O O=[N+]([O-])[*:1] COc1ccc2C(=O)/C(=C/C=C/c3ccccc3[*:1])CCc2c1
C[C@@H](NC(=O)NCC1(CO)CC1)c1noc(-c2ccc(Cl)cc2)n1 OCC1(CC1)C[*:1] C[C@@H](NC(=O)N[*:1])c1noc(n1)-c1ccc(Cl)cc1
C[C@@H](NC(=O)NCC1(CO)CC1)c1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCC1(CO)CC1)c1noc(n1)[*:1]
C[C@@H](NC(=O)NCC1(CO)CC1)c1noc(-c2ccc(Cl)cc2)n1 OCC1(CC1)[*:1] C[C@@H](NC(=O)NC[*:1])c1noc(n1)-c1ccc(Cl)cc1
O=C(COC(=O)c1c[nH]c2ccccc12)NCC(F)(F)F FC(F)(F)C[*:1] O=C(COC(=O)c1c[nH]c2ccccc12)N[*:1]
O=C(COC(=O)c1c[nH]c2ccccc12)NCC(F)(F)F FC(F)(F)[*:1] O=C(COC(=O)c1c[nH]c2ccccc12)NC[*:1]
CC(C)c1ccc(CC(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1 CC(C)[*:1] CN1C(=O)c2cccc(NC(=O)Cc3ccc(cc3)[*:1])c2C1=O
Cn1c(C(=O)Nc2cccc(F)c2)cc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] Cn1c(cc2CN(CCc21)C[*:1])C(=O)Nc1cccc(F)c1
Cn1c(C(=O)Nc2cccc(F)c2)cc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] Cn1c(cc2CN(CCc21)[*:1])C(=O)Nc1cccc(F)c1
Cn1c(C(=O)Nc2cccc(F)c2)cc2c1CCN(Cc1ccccc1)C2 Fc1cccc(c1)[*:1] Cn1c(cc2CN(CCc21)Cc1ccccc1)C(=O)N[*:1]
O=C(Cn1cnnn1)N[C@H]1CCCN(c2ccccc2F)C1=O c1nnnn1C[*:1] O=C1[C@H](CCCN1c1ccccc1F)NC(=O)[*:1]
O=C(Cn1cnnn1)N[C@H]1CCCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] O=C(Cn1cnnn1)N[C@H]1CCCN(C1=O)[*:1]
O=C(Cn1cnnn1)N[C@H]1CCCN(c2ccccc2F)C1=O c1nnnn1[*:1] O=C(C[*:1])N[C@H]1CCCN(C1=O)c1ccccc1F
O=C(CSc1ccc2c(c1)OCCO2)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CSc1ccc2OCCOc2c1)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCOc1ncccc1C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl CC(C)N(C)C(=O)[*:1] CCOc1ncccc1C(=O)Nc1cc(ccc1Cl)[*:1]
CCOc1ncccc1C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl CC(C)[*:1] CCOc1ncccc1C(=O)Nc1cc(ccc1Cl)C(=O)N(C)[*:1]
CCOc1ncccc1C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl CCO[*:1] CC(C)N(C)C(=O)c1ccc(Cl)c(c1)NC(=O)c1cccnc1[*:1]
CCOc1ccc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 CCO[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)N(C)Cc1cnn(c1)[*:1]
CCc1ccc(C(=O)/C(=C(/S)NC2CC2)[n+]2ccc(CC)cc2)cc1 CCc1ccc(cc1)[*:1] CCc1cc[n+](cc1)/C(C(=O)[*:1])=C(\S)NC1CC1
CCc1ccc(C(=O)/C(=C(/S)NC2CC2)[n+]2ccc(CC)cc2)cc1 C1CC1[*:1] CCc1ccc(cc1)C(=O)/C(=C(/S)N[*:1])[n+]1ccc(cc1)CC
CCc1ccc(C(=O)/C(=C(/S)NC2CC2)[n+]2ccc(CC)cc2)cc1 C1CC1N[*:1] CCc1ccc(cc1)C(=O)/C(=C(/S)[*:1])[n+]1ccc(cc1)CC
CCc1ccc(C(=O)/C(=C(/S)NC2CC2)[n+]2ccc(CC)cc2)cc1 CCc1cc[n+](cc1)[*:1] CCc1ccc(cc1)C(=O)C(=C(S)NC1CC1)[*:1]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)C1CC1 CC(C)C[*:1] C[C@H](C(=O)N[C@H]1CCCC[C@@H]1OC[*:1])C1CC1
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)C1CC1 CC(C)CC[*:1] C[C@H](C(=O)N[C@H]1CCCC[C@@H]1O[*:1])C1CC1
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)C1CC1 CC(C)[*:1] C[C@H](C(=O)N[C@H]1CCCC[C@@H]1OCC[*:1])C1CC1
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)[*:1]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)C1CC1 C1CC1[*:1] CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[*:1]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)C1CC1 CC(C)CCO[*:1] C[C@H](C(=O)N[C@H]1CCCC[C@@H]1[*:1])C1CC1
Cc1cc2n(n1)CCC(=O)N2CC(=O)NCCCN1CCCC1=O O=C1CCCN1[*:1] Cc1cc2N(CC(=O)NCCC[*:1])C(=O)CCn2n1
Cc1cc2n(n1)CCC(=O)N2CC(=O)NCCCN1CCCC1=O O=C1CCCN1C[*:1] Cc1cc2N(CC(=O)NCC[*:1])C(=O)CCn2n1
Cc1cc2n(n1)CCC(=O)N2CC(=O)NCCCN1CCCC1=O O=C1CCCN1CC[*:1] Cc1cc2N(CC(=O)NC[*:1])C(=O)CCn2n1
COc1cccc2cc(C(=O)Cl)[nH]c12 O=C(Cl)[*:1] COc1cccc2cc([nH]c12)[*:1]
Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(C)c(C)c4)C3)n2)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(C)c(C)c4)C3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC[C@H](C1)c1nc(no1)[*:1]
C[C@@H](Cn1cncn1)NC(=O)[C@@H](C)Sc1nc2ccccc2s1 c1ncn(C[*:1])n1 C[C@@H](NC(=O)[C@@H](C)Sc1nc2ccccc2s1)[*:1]
C[C@@H](Cn1cncn1)NC(=O)[C@@H](C)Sc1nc2ccccc2s1 c1ncn(n1)[*:1] C[C@@H](C[*:1])NC(=O)[C@@H](C)Sc1nc2ccccc2s1
CCCOc1ccc(-c2nc3ccc(Br)cc3c(=O)o2)cc1 CCCO[*:1] O=c1oc(nc2ccc(Br)cc12)-c1ccc(cc1)[*:1]
CCCOc1ccc(-c2nc3ccc(Br)cc3c(=O)o2)cc1 CCC[*:1] O=c1oc(nc2ccc(Br)cc12)-c1ccc(cc1)O[*:1]
CCCOC(=O)N1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 CCC[*:1] N#Cc1ccc(cc1)NC(=O)C[NH+]1CCN(CC1)C(=O)O[*:1]
CCCOC(=O)N1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] CCCOC(=O)N1CC[NH+](CC1)CC(=O)N[*:1]
CC(C)c1nn(C)cc1CN(C)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CC(C)[*:1] CN(Cc1cn(C)nc1[*:1])C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
Cc1cc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(C)c(F)c3)C2=O)c(C)o1 Cc1ccc(cc1F)[*:1] Cc1cc(c(C)o1)[C@]1(C)NC(=O)N(CC(=O)NC[*:1])C1=O
Cc1cc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(C)c(F)c3)C2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1ccc(cc1F)CNC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1cc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(C)c(F)c3)C2=O)c(C)o1 Cc1ccc(cc1F)C[*:1] Cc1cc(c(C)o1)[C@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
CCOc1cc(C)ccc1NC(=O)N1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] CCOc1cc(C)ccc1NC(=O)N1CCO[C@H](C1)[*:1]
CCOc1cc(C)ccc1NC(=O)N1CCO[C@H](c2ccccc2F)C1 CCO[*:1] Cc1ccc(NC(=O)N2CCO[C@@H](C2)c2ccccc2F)c(c1)[*:1]
Cc1nc2sccn2c1CNc1cccc(OCC(F)(F)F)c1C FC(F)(F)C[*:1] Cc1nc2sccn2c1CNc1cccc(O[*:1])c1C
Cc1nc2sccn2c1CNc1cccc(OCC(F)(F)F)c1C FC(F)(F)[*:1] Cc1nc2sccn2c1CNc1cccc(OC[*:1])c1C
Cc1nc2sccn2c1CNc1cccc(OCC(F)(F)F)c1C FC(F)(F)CO[*:1] Cc1nc2sccn2c1CNc1cccc(c1C)[*:1]
CCSc1nnc(C[NH2+]C2CCN(c3cccc(-n4cccn4)c3)CC2)o1 CCS[*:1] c1cc(cc(c1)-n1cccn1)N1CCC(CC1)[NH2+]Cc1nnc(o1)[*:1]
CCSc1nnc(C[NH2+]C2CCN(c3cccc(-n4cccn4)c3)CC2)o1 CCSc1nnc(o1)[*:1] c1cc(cc(c1)-n1cccn1)N1CCC(CC1)[NH2+]C[*:1]
CCSc1nnc(C[NH2+]C2CCN(c3cccc(-n4cccn4)c3)CC2)o1 c1cnn(c1)[*:1] CCSc1nnc(C[NH2+]C2CCN(CC2)c2cccc(c2)[*:1])o1
COc1ccc(F)c(N[C@@H](C)C(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] COc1ccc(F)c(c1)N[C@@H](C)C(=O)N[*:1]
CCCN(C(=O)c1cc(-c2ccccc2)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(c1cc(nc2ccccc12)-c1ccccc1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCN(C(=O)c1cc(-c2ccccc2)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCN(C(=O)c1cc(nc2ccccc12)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(CCCn1nnc2ccccc2c1=O)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(CCCn1nnc2ccccc2c1=O)N[*:1]
COc1cccc2c1OCCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1)C2 c1cc(co1)[*:1] COc1cccc2CN(CCCOc21)C(=O)C[C@H]1C(=O)NCCN1C[*:1]
COc1cccc2c1OCCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccoc1)C2 c1cc(co1)C[*:1] COc1cccc2CN(CCCOc21)C(=O)C[C@H]1C(=O)NCCN1[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(c2c[nH]c3ncccc23)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(o1)[*:1])N1CCC(CC1)c1c[nH]c2ncccc12
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(c2c[nH]c3ncccc23)CC1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(N1CCC(CC1)c1c[nH]c2ncccc12)[*:1]
NC(=O)COC(=O)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O NC(=O)[*:1] O=C(OC[*:1])[C@@H]1CCN(C1=O)c1cc(F)cc(F)c1
NC(=O)COC(=O)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O NC(=O)C[*:1] O=C(O[*:1])[C@@H]1CCN(C1=O)c1cc(F)cc(F)c1
NC(=O)COC(=O)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O NC(=O)COC(=O)[*:1] O=C1[C@@H](CCN1c1cc(F)cc(F)c1)[*:1]
c1nc2c(c(N(CC3CC[NH2+]CC3)C3CC3)n1)CCC2 C1CC1[*:1] c1nc2CCCc2c(n1)N(CC1CC[NH2+]CC1)[*:1]
COc1ncccc1C(=O)NCC#CCOc1ccccc1F Fc1ccccc1[*:1] COc1ncccc1C(=O)NCC#CCO[*:1]
O=C([O-])[C@@H](c1cccc(F)c1Cl)[NH+]1CCN(c2ccccc2)CC1 Fc1cccc(c1Cl)[*:1] O=C([O-])[C@@H]([NH+]1CCN(CC1)c1ccccc1)[*:1]
O=C([O-])[C@@H](c1cccc(F)c1Cl)[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([O-])[C@@H](c1cccc(F)c1Cl)[NH+]1CCN(CC1)[*:1]
O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)[C@H]1NS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)[C@H]1NS(=O)(=O)[*:1]
O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)[C@H]1NS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C1[NH+]=c2ccc(Cl)cc2=C([C@H]1NS(=O)(=O)c1ccccc1)[*:1]
CN(C)C(=O)[C@H]1CCCN(C(=O)Nc2cnn(C(C)(C)C)c2)C1 CN(C)C(=O)[*:1] CC(C)(C)n1cc(cn1)NC(=O)N1CCC[C@@H](C1)[*:1]
CN(C)C(=O)[C@H]1CCCN(C(=O)Nc2cnn(C(C)(C)C)c2)C1 CC(C)(C)[*:1] CN(C)C(=O)[C@H]1CCCN(C1)C(=O)Nc1cnn(c1)[*:1]
O=C(Cn1cnc(SCc2ccccc2)n1)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(Cn1cnc(n1)SC[*:1])NC1CCCCC1
O=C(Cn1cnc(SCc2ccccc2)n1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cn1cnc(n1)SCc1ccccc1)N[*:1]
O=C(Cn1cnc(SCc2ccccc2)n1)NC1CCCCC1 c1ccc(cc1)C[*:1] O=C(Cn1cnc(n1)S[*:1])NC1CCCCC1
COc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1Br CC(C)(C)C[*:1] COc1cc(ccc1Br)S(=O)(=O)NC(C)(C)[*:1]
COc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1Br CC(C)(C)[*:1] COc1cc(ccc1Br)S(=O)(=O)NC(C)(C)C[*:1]
CNC(=O)[C@@H](NC(=O)CO/N=C(/N)C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@@H](NC(=O)CO/N=C(/N)C(F)(F)F)[*:1]
CNC(=O)[C@@H](NC(=O)CO/N=C(/N)C(F)(F)F)c1ccccc1 CNC(=O)[*:1] N/C(=N/OCC(=O)N[C@@H](c1ccccc1)[*:1])C(F)(F)F
CNC(=O)[C@@H](NC(=O)CO/N=C(/N)C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] CNC(=O)[C@@H](NC(=O)CO/N=C(/N)[*:1])c1ccccc1
CCS(=O)(=O)CCN(C)C(=O)CCc1cccc(F)c1 CCS(=O)(=O)[*:1] CN(CC[*:1])C(=O)CCc1cccc(F)c1
CCS(=O)(=O)CCN(C)C(=O)CCc1cccc(F)c1 CCS(=O)(=O)C[*:1] CN(C[*:1])C(=O)CCc1cccc(F)c1
CS(=O)(=O)c1ccccc1NC(=O)NCc1cccc(C#N)c1 CS(=O)(=O)[*:1] N#Cc1cccc(c1)CNC(=O)Nc1ccccc1[*:1]
C[C@@H](NC(=O)CCOC[C@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)CCOC[*:1])c1ccc2NC(=O)CCc2c1
C[C@@H](NC(=O)CCOC[C@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2 C1CO[C@H](C1)CO[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc2NC(=O)CCc2c1
C[C@@H](NC(=O)CCOC[C@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2 C1CO[C@H](C1)C[*:1] C[C@@H](NC(=O)CCO[*:1])c1ccc2NC(=O)CCc2c1
C[C@@H](NC(=O)CCOC[C@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2 C1CO[C@H](C1)COC[*:1] C[C@@H](NC(=O)C[*:1])c1ccc2NC(=O)CCc2c1
Cc1nsc(N2CCN(C(=O)[C@@H]3CCCS3)CC2)n1 Cc1nsc(n1)[*:1] O=C([C@@H]1CCCS1)N1CCN(CC1)[*:1]
CCOc1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)C(=O)c1cccn1C[*:1]
CCOc1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(F)cc2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)c1cccn1Cc1ccc(F)cc1
CCOc1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(F)cc2)cc1 CCOc1ccc(cc1)[*:1] O=C(N[*:1])C(=O)c1cccn1Cc1ccc(F)cc1
CCOc1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CCOc1ccc(cc1)NC(=O)C(=O)c1cccn1[*:1]
CSCc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])o1 O=C([O-])[*:1] CSCc1ccc(o1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)[*:1]
CSCc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])o1 CSC[*:1] O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-])c1ccc(o1)[*:1]
COc1c(Cl)ccc2sc(N3CC[NH+](CCNC(=O)c4ccc(C)cc4C)CC3)nc12 Cc1ccc(c(C)c1)[*:1] COc1c(Cl)ccc2sc(nc12)N1CC[NH+](CCNC(=O)[*:1])CC1
COc1ccc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1)C[*:1]
COc1ccc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1 CN(C)C(=O)C[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
C[NH+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[NH+](CC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1)C[*:1]
C[NH+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)Cc1ccc2c(c1)OCO2 O=S(=O)(N1CCCCCC1)[*:1] C[NH+](CC(=O)Nc1cc(ccc1Cl)[*:1])Cc1ccc2OCOc2c1
CC(C)C[C@@H](C[NH3+])C(=O)N[C@@H]1COC[C@@H]1C(=O)[O-] CC(C)[*:1] [NH3+]C[C@H](C[*:1])C(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]
CC(C)C[C@@H](C[NH3+])C(=O)N[C@@H]1COC[C@@H]1C(=O)[O-] CC(C)C[*:1] [NH3+]C[C@@H](C(=O)N[C@@H]1COC[C@@H]1C(=O)[O-])[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)N[C@@H]1COC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](C[NH3+])C(=O)N[C@@H]1COC[C@H]1[*:1]
C[NH+](C)[C@H](CNC(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1c(Cl)cccc1Cl)[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)[C@@H](C)[NH2+]CCc1nc[nH]n1 c1nc(n[nH]1)[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)[C@@H](C)[NH2+]CC[*:1]
COc1ccccc1-c1noc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 COc1ccccc1[*:1] O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc(no1)[*:1]
COc1ccccc1-c1noc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] COc1ccccc1-c1noc(n1)[C@H]1CCCN1C(=O)[*:1]
O=C(NCc1nncn1-c1ccccc1)C(=O)Nc1cccnc1Cl c1ccc(cc1)[*:1] O=C(NCc1nncn1[*:1])C(=O)Nc1cccnc1Cl
O=C(NCc1nncn1-c1ccccc1)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(NCc1nncn1-c1ccccc1)C(=O)N[*:1]
O=C1OCC[C@H]1N1CCc2ccc([N+](=O)[O-])cc2C1 O=C1OCC[C@@H]1[*:1] O=[N+]([O-])c1ccc2CCN(Cc2c1)[*:1]
O=C1OCC[C@H]1N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] O=C1OCC[C@H]1N1CCc2ccc(cc2C1)[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)N[C@H](Cn1cncn1)c1ccccc1 Clc1ccc(cc1)[*:1] CN(C[*:1])C(=O)N[C@H](Cn1cncn1)c1ccccc1
CN(Cc1ccc(Cl)cc1)C(=O)N[C@H](Cn1cncn1)c1ccccc1 c1ncn(n1)[*:1] CN(Cc1ccc(Cl)cc1)C(=O)N[C@H](C[*:1])c1ccccc1
CN(Cc1ccc(Cl)cc1)C(=O)N[C@H](Cn1cncn1)c1ccccc1 c1ncn(C[*:1])n1 CN(Cc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1)[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)N[C@H](Cn1cncn1)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(Cl)cc1)C(=O)N[C@H](Cn1cncn1)[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)N[C@H](Cn1cncn1)c1ccccc1 Clc1ccc(cc1)C[*:1] CN(C(=O)N[C@H](Cn1cncn1)c1ccccc1)[*:1]
Cc1c(C(=O)NCCC(C)C)oc2ccc(S(=O)(=O)N3CCOCC3)cc12 CC(C)CCNC(=O)[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCOCC1)[*:1]
Cc1c(C(=O)NCCC(C)C)oc2ccc(S(=O)(=O)N3CCOCC3)cc12 CC(C)C[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCOCC1)C(=O)NC[*:1]
Cc1c(C(=O)NCCC(C)C)oc2ccc(S(=O)(=O)N3CCOCC3)cc12 O=S(=O)(N1CCOCC1)[*:1] Cc1c(oc2ccc(cc12)[*:1])C(=O)NCCC(C)C
Cc1c(C(=O)NCCC(C)C)oc2ccc(S(=O)(=O)N3CCOCC3)cc12 CC(C)CC[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCOCC1)C(=O)N[*:1]
Cc1c(C(=O)NCCC(C)C)oc2ccc(S(=O)(=O)N3CCOCC3)cc12 CC(C)[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCOCC1)C(=O)NCC[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)c3scnc3C3CC3)cc12 C1CC1[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)c1scnc1[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)c3scnc3C3CC3)cc12 c1nc(c(s1)[*:1])C1CC1 COC(=O)c1n[nH]c2ccc(cc12)NC(=O)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)c3scnc3C3CC3)cc12 COC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])c1scnc1C1CC1
CCC(C)(C)NC(=O)[C@@H](C)[S@@](=O)Cc1ccc(C(=O)N2CCCC2)cc1 CCC(C)(C)[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1ccc(cc1)C(=O)N1CCCC1
CCC(C)(C)NC(=O)[C@@H](C)[S@@](=O)Cc1ccc(C(=O)N2CCCC2)cc1 CCC(C)(C)NC(=O)[*:1] C[C@@H]([S@@](=O)Cc1ccc(cc1)C(=O)N1CCCC1)[*:1]
CCC(C)(C)NC(=O)[C@@H](C)[S@@](=O)Cc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] CCC(C)(C)NC(=O)[C@@H](C)[S@@](=O)Cc1ccc(cc1)[*:1]
CN(c1ccc(C(N)=O)nn1)[C@H]1COC[C@@H]1C(=O)[O-] NC(=O)[*:1] CN(c1ccc(nn1)[*:1])[C@H]1COC[C@@H]1C(=O)[O-]
CN(c1ccc(C(N)=O)nn1)[C@H]1COC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CN(c1ccc(nn1)C(N)=O)[C@H]1COC[C@H]1[*:1]
COc1cccc(COC(=O)CN(C)C(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)COC(=O)CN(C)C(=O)[*:1]
Cc1ccnc(NC(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 Cc1ccnc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NCC(=O)N[*:1]
Cc1ccnc(NC(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1ccnc(c1)NC(=O)CNC(=O)c1ccc(C)c(c1)[*:1]
COC(=O)Cn1nc(C)n2ccnc2c1=O COC(=O)C[*:1] Cc1nn(c(=O)c2nccn12)[*:1]
COC(=O)Cn1nc(C)n2ccnc2c1=O COC(=O)[*:1] Cc1nn(C[*:1])c(=O)c2nccn12
CC(C)c1nc2sc3c(NCCCO)ncnc3c2c2c1CCCC2 OCCCN[*:1] CC(C)c1nc2sc3c(ncnc3c2c2CCCCc12)[*:1]
CC(C)c1nc2sc3c(NCCCO)ncnc3c2c2c1CCCC2 CC(C)[*:1] OCCCNc1ncnc2c1sc1nc(c3CCCCc3c12)[*:1]
CC(C)c1nc2sc3c(NCCCO)ncnc3c2c2c1CCCC2 OCC[*:1] CC(C)c1nc2sc3c(ncnc3c2c2CCCCc12)NC[*:1]
CC(C)c1nc2sc3c(NCCCO)ncnc3c2c2c1CCCC2 OCCC[*:1] CC(C)c1nc2sc3c(ncnc3c2c2CCCCc12)N[*:1]
COCc1c(C(=O)OC[C@@H]2CCC(=O)N2)sc2cccc(F)c12 COC[*:1] O=C1CC[C@@H](COC(=O)c2sc3cccc(F)c3c2[*:1])N1
C=CCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nnc1-c1ccco1 Cc1ccc(C)c(c1)[*:1] C=CCn1c(nnc1-c1ccco1)S[C@@H](C)C(=O)[*:1]
C=CCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nnc1-c1ccco1 C=CC[*:1] Cc1ccc(C)c(c1)C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1[*:1]
C=CCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nnc1-c1ccco1 c1coc(c1)[*:1] C=CCn1c(nnc1[*:1])S[C@@H](C)C(=O)c1cc(C)ccc1C
Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccnc3)S2)c(C)c1 c1cncc(c1)[*:1] Cc1ccc(/N=C2/NC(=O)C(=C[*:1])S2)c(C)c1
CCCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O Cn1ccc(n1)[*:1] CCCN1CCN(C[C@@H](Cc2ccc(cc2)-c2ccccc2)C1=O)C(=O)[*:1]
CCCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O c1ccc(cc1)[*:1] CCCN1CCN(C[C@@H](Cc2ccc(cc2)[*:1])C1=O)C(=O)c1ccn(C)n1
CCCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O CCC[*:1] Cn1ccc(n1)C(=O)N1CCN(C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)C1)[*:1]
CC[C@@H](C)CS(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 CC[C@@H](C)[*:1] C[C@H](c1ccc(cc1)C(F)(F)F)S(=O)(=O)C[*:1]
CC[C@@H](C)CS(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 CC[C@@H](C)C[*:1] C[C@H](c1ccc(cc1)C(F)(F)F)S(=O)(=O)[*:1]
CC[C@@H](C)CS(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@@H](C)CS(=O)(=O)[C@H](C)c1ccc(cc1)[*:1]
C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)Nc1cc(Cl)c(Cl)cc1Cl OCCC[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)Nc1cc(Cl)c(Cl)cc1Cl
C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)Nc1cc(Cl)c(Cl)cc1Cl Clc1cc(Cl)c(cc1Cl)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)N[*:1]
C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)Nc1cc(Cl)c(Cl)cc1Cl OCC[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1C[*:1])C(=O)Nc1cc(Cl)c(Cl)cc1Cl
C=CCOc1ccc(/C=c2/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC C=CC[*:1] COc1cc(/C=c2/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)ccc1O[*:1]
C=CCOc1ccc(/C=c2/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC Cc1ccc(C=C[*:1])cc1 C=CCOc1ccc(/C=c2/sc3nc(nn3c2=O)[*:1])cc1OC
C=CCOc1ccc(/C=c2/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC C=CCO[*:1] COc1cc(/C=c2/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)ccc1[*:1]
C=CCOc1ccc(/C=c2/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC Cc1ccc(cc1)[*:1] C=CCOc1ccc(/C=c2/sc3nc(C=C[*:1])nn3c2=O)cc1OC
CCCCOc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1OC CCCCO[*:1] COc1cc(ccc1[*:1])C(=O)N1CC(=O)Nc2ccccc21
CCCCOc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1OC CCCC[*:1] COc1cc(ccc1O[*:1])C(=O)N1CC(=O)Nc2ccccc21
CCCCOc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1OC CCC[*:1] COc1cc(ccc1OC[*:1])C(=O)N1CC(=O)Nc2ccccc21
O=C(Nc1nc2c(s1)CN(C(=O)c1cccc([N+](=O)[O-])c1)CC2)c1cccs1 O=C(N[*:1])c1cccs1 O=C(c1cccc(c1)[N+](=O)[O-])N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)c1cccc([N+](=O)[O-])c1)CC2)c1cccs1 O=[N+]([O-])[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1cccc(c1)[*:1])c1cccs1
O=C(Nc1nc2c(s1)CN(C(=O)c1cccc([N+](=O)[O-])c1)CC2)c1cccs1 c1csc(c1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CCc2nc(NC(=O)[*:1])sc2C1
O=C(Nc1nc2c(s1)CN(C(=O)c1cccc([N+](=O)[O-])c1)CC2)c1cccs1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])c1cccs1
C[C@@H]1CCC[C@@H](C)C1NC(=O)NCCNC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)NCCNC(=O)O[*:1]
COC1CC[NH+](CCNC(=O)Nc2ccnc(Oc3ccccc3)c2)CC1 c1ccc(cc1)[*:1] COC1CC[NH+](CCNC(=O)Nc2ccnc(c2)O[*:1])CC1
COC1CC[NH+](CCNC(=O)Nc2ccnc(Oc3ccccc3)c2)CC1 c1ccc(cc1)O[*:1] COC1CC[NH+](CCNC(=O)Nc2ccnc(c2)[*:1])CC1
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc2ncsc2c1 Cc1cccc(C)c1[*:1] O=C(CNC(=O)c1ccc2ncsc2c1)N[*:1]
CCOc1ccc(NC(=S)NNC(=O)c2cc(F)ccc2C)cc1 Cc1ccc(F)cc1[*:1] CCOc1ccc(cc1)NC(=S)NNC(=O)[*:1]
CCOc1ccc(NC(=S)NNC(=O)c2cc(F)ccc2C)cc1 CCO[*:1] Cc1ccc(F)cc1C(=O)NNC(=S)Nc1ccc(cc1)[*:1]
O=C(CSC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C(CSC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21)N[*:1]
O=C(CSC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)NCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(CSC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21)NCC[*:1]
O=C(CSC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)NCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CSC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21)NC[*:1]
Cc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(CN(S(=O)(=O)c1cccs1)[*:1])Nc1ccc(F)cc1F
Cc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)[*:1]
Cc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2cccs2)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)N(CC(=O)N[*:1])S(=O)(=O)c1cccs1
CC(C)(O)CCSc1nnc(-c2ccccc2Br)n1N CC(C)(O)[*:1] Nn1c(nnc1-c1ccccc1Br)SCC[*:1]
CC(C)(O)CCSc1nnc(-c2ccccc2Br)n1N CC(C)(O)CC[*:1] Nn1c(nnc1-c1ccccc1Br)S[*:1]
CC(C)(O)CCSc1nnc(-c2ccccc2Br)n1N CC(C)(O)C[*:1] Nn1c(nnc1-c1ccccc1Br)SC[*:1]
CC(C)[C@H](NC(=O)c1cccs1)C(=O)N(C)C1CCOCC1 C1CC(CCO1)[*:1] CC(C)[C@H](NC(=O)c1cccs1)C(=O)N(C)[*:1]
CC(C)[C@H](NC(=O)c1cccs1)C(=O)N(C)C1CCOCC1 c1csc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N(C)C1CCOCC1
CC(C)[C@H](NC(=O)c1cccs1)C(=O)N(C)C1CCOCC1 CC(C)[*:1] CN(C(=O)[C@@H](NC(=O)c1cccs1)[*:1])C1CCOCC1
CCN(C[C@H]1CN([C@@H]2C[C@H](C)OC2=O)CCO1)c1cccnn1 c1cnnc(c1)[*:1] CCN(C[C@H]1CN(CCO1)[C@@H]1C[C@H](C)OC1=O)[*:1]
CCN(C[C@H]1CN([C@@H]2C[C@H](C)OC2=O)CCO1)c1cccnn1 C[C@H]1C[C@H](C(=O)O1)[*:1] CCN(C[C@H]1CN(CCO1)[*:1])c1cccnn1
CC(=O)Nc1cc(C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)ccc1S(=O)(=O)c1ccc(Cl)cc1 CC(=O)N[*:1] C[C@@H]1CCC[C@H](NC(=O)c2ccc(c(c2)[*:1])S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1C
CC(=O)Nc1cc(C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)ccc1S(=O)(=O)c1ccc(Cl)cc1 O=S(=O)(c1ccc(Cl)cc1)[*:1] CC(=O)Nc1cc(ccc1[*:1])C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C
CC(=O)Nc1cc(C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)ccc1S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1S(=O)(=O)[*:1])C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C
Cc1ncc([C@@H](C)N[C@H]2CCCN(S(C)(=O)=O)C2)s1 Cc1ncc(s1)[*:1] C[C@@H](N[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@H](CNC(=O)c1cccc(c1)[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CCC[C@@H]2CCC[C@H]21
COC(=O)[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)C(C)C CC(C)[*:1] COC(=O)[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)[*:1]
COC(=O)[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)C(C)C COC(=O)[*:1] CC(C)[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)[*:1]
CCNC(=O)c1ccc(CNc2cnccc2C#N)cc1 CCNC(=O)[*:1] N#Cc1ccncc1NCc1ccc(cc1)[*:1]
COc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1F COc1ccc(cc1F)[*:1] CN(C[*:1])C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1
COc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1F O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1F)CN(C)C(=O)c1ccc(Cl)c(c1)[*:1]
c1nc2c(c(NC[C@@H]3CCCO3)n1)CCCCC2 C1CO[C@@H](C1)[*:1] c1nc2CCCCCc2c(n1)NC[*:1]
c1nc2c(c(NC[C@@H]3CCCO3)n1)CCCCC2 C1CO[C@@H](C1)C[*:1] c1nc2CCCCCc2c(n1)N[*:1]
CN1CCO[C@H](COc2ccc(C(N)=S)cc2)C1 NC(=S)[*:1] CN1CCO[C@H](COc2ccc(cc2)[*:1])C1
O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1cc[n+]([O-])cc1 [O-][n+]1ccc(cc1)[*:1] O=C(N[C@@H]1CCN(C1)c1c(F)cccc1F)[*:1]
CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 CC(C)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 CC(C)[*:1] CC(C)CNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 CC(C)CNC(=O)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 CC(C)C[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@@H](NC(=O)NCCCC(=O)N(C)C)c1ccc(-c2ccc(F)cc2)cc1 CN(C)C(=O)C[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@@H](NC(=O)NCCCC(=O)N(C)C)c1ccc(-c2ccc(F)cc2)cc1 CN(C)C(=O)CCC[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@@H](NC(=O)NCCCC(=O)N(C)C)c1ccc(-c2ccc(F)cc2)cc1 CN(C)C(=O)[*:1] C[C@@H](NC(=O)NCCC[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@@H](NC(=O)NCCCC(=O)N(C)C)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCCCC(=O)N(C)C)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)NCCCC(=O)N(C)C)c1ccc(-c2ccc(F)cc2)cc1 CN(C)C(=O)CC[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[NH2+]C[C@H](C)C(=O)N(C)C1CC1 C1CC1[*:1] C[NH2+]C[C@H](C)C(=O)N(C)[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 CC(C)(C)[*:1] O=C(Nc1ccc2OC(F)(F)Oc2c1)C1CCN(CC1)C(=O)O[*:1]
C[C@@]1(NC(=S)N(Cc2ccccc2)Cc2ccccc2)CCS(=O)(=O)C1 c1ccc(cc1)[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=S)N(Cc1ccccc1)C[*:1]
C[C@@]1(NC(=S)N(Cc2ccccc2)Cc2ccccc2)CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=S)N(Cc1ccccc1)[*:1]
CC(C)Oc1ccccc1NC(=O)C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] CC(C)Oc1ccccc1NC(=O)C(=O)N[*:1]
CC(C)Oc1ccccc1NC(=O)C(=O)NCc1cccnc1 c1cncc(c1)[*:1] CC(C)Oc1ccccc1NC(=O)C(=O)NC[*:1]
CC(C)Oc1ccccc1NC(=O)C(=O)NCc1cccnc1 CC(C)O[*:1] O=C(NCc1cccnc1)C(=O)Nc1ccccc1[*:1]
CC(C)Oc1ccccc1NC(=O)C(=O)NCc1cccnc1 CC(C)[*:1] O=C(NCc1cccnc1)C(=O)Nc1ccccc1O[*:1]
CCCC[C@H](NC(N)=O)C(=O)N(C)Cc1cccc(C#N)c1 NC(=O)N[*:1] CCCC[C@H](C(=O)N(C)Cc1cccc(C#N)c1)[*:1]
CCCC[C@H](NC(N)=O)C(=O)N(C)Cc1cccc(C#N)c1 CCCC[*:1] CN(Cc1cccc(C#N)c1)C(=O)[C@@H](NC(N)=O)[*:1]
CCCC[C@H](NC(N)=O)C(=O)N(C)Cc1cccc(C#N)c1 CCC[*:1] CN(Cc1cccc(C#N)c1)C(=O)[C@H](C[*:1])NC(N)=O
O=C(Cc1cccc2ccccc12)N[C@H](c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] O=C(Cc1cccc2ccccc12)N[C@H](c1ccncc1)[*:1]
O=C(Cc1cccc2ccccc12)N[C@H](c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] O=C(Cc1cccc2ccccc12)N[C@H](c1ccccc1)[*:1]
CN1CCO[C@@H](C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 CN1CCO[C@@H](C1)[*:1] Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C[*:1]
O=C(COc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 c1ccc(cc1)O[*:1] O=C(C[*:1])NCc1nc(no1)-c1ccc(Cl)cc1
O=C(COc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] O=C(COc1ccccc1)NCc1nc(no1)[*:1]
O=C(COc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 c1ccc(cc1)[*:1] O=C(CO[*:1])NCc1nc(no1)-c1ccc(Cl)cc1
O=C(COc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 c1ccc(cc1)OC[*:1] O=C(NCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
CCC(C)(CC)NC(=O)Nc1ccc(C)cc1OCC(=O)N(C)C CN(C)C(=O)[*:1] CCC(C)(CC)NC(=O)Nc1ccc(C)cc1OC[*:1]
CCC(C)(CC)NC(=O)Nc1ccc(C)cc1OCC(=O)N(C)C CCC(C)(CC)[*:1] Cc1ccc(NC(=O)N[*:1])c(c1)OCC(=O)N(C)C
CCC(C)(CC)NC(=O)Nc1ccc(C)cc1OCC(=O)N(C)C CN(C)C(=O)C[*:1] CCC(C)(CC)NC(=O)Nc1ccc(C)cc1O[*:1]
CCC(C)(CC)NC(=O)Nc1ccc(C)cc1OCC(=O)N(C)C CN(C)C(=O)CO[*:1] CCC(C)(CC)NC(=O)Nc1ccc(C)cc1[*:1]
CCOC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)Oc2ccccc2Cl)C1 Clc1ccccc1O[*:1] CCOC(=O)N1CCC[C@@H](C1)C(=O)NC[C@@H](C)[*:1]
CCOC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)Oc2ccccc2Cl)C1 Clc1ccccc1[*:1] CCOC(=O)N1CCC[C@@H](C1)C(=O)NC[C@@H](C)O[*:1]
Cc1ccc(N2CC[C@H](NC(=O)NC3CCCC3)C2=O)cc1C C1CCC(C1)[*:1] Cc1ccc(cc1C)N1CC[C@H](NC(=O)N[*:1])C1=O
COc1ccc(C(=O)N2CCO[C@H]2CNC(=O)C(=O)NCc2ccccn2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccccn1)C(=O)NC[C@@H]1OCCN1C(=O)[*:1]
COc1ccc(C(=O)N2CCO[C@H]2CNC(=O)C(=O)NCc2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)C(=O)N1CCO[C@H]1CNC(=O)C(=O)NC[*:1]
COc1ccc(C(=O)N2CCO[C@H]2CNC(=O)C(=O)NCc2ccccn2)cc1 c1ccc(C[*:1])nc1 COc1ccc(cc1)C(=O)N1CCO[C@H]1CNC(=O)C(=O)N[*:1]
C[C@H](CCc1ccc(O)cc1)NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 Oc1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1
C[C@H](CCc1ccc(O)cc1)NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 Oc1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1
O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 Clc1cccc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[*:1]
CC[C@@H](C)S[C@H]1CC[C@@](C#N)(NC(C)C)C1 CC[C@@H](C)[*:1] CC(C)N[C@]1(C#N)CC[C@@H](C1)S[*:1]
CC[C@@H](C)S[C@H]1CC[C@@](C#N)(NC(C)C)C1 CC(C)[*:1] CC[C@@H](C)S[C@H]1CC[C@](C#N)(C1)N[*:1]
CC[C@@H](C)S[C@H]1CC[C@@](C#N)(NC(C)C)C1 CC(C)N[*:1] CC[C@@H](C)S[C@H]1CC[C@@](C#N)(C1)[*:1]
CC[C@@H](C)S[C@H]1CC[C@@](C#N)(NC(C)C)C1 CC[C@@H](C)S[*:1] CC(C)N[C@]1(C#N)CC[C@@H](C1)[*:1]
CC[C@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O CC[C@H](C)[*:1] O=C(N[*:1])c1cc2C(=O)N(CCCn2n1)Cc1ccccc1
CC[C@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O CC[C@H](C)NC(=O)[*:1] O=C1c2cc(nn2CCCN1Cc1ccccc1)[*:1]
CC[C@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1cc2C(=O)N(CCCn2n1)C[*:1]
CC[C@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O c1ccc(cc1)C[*:1] CC[C@H](C)NC(=O)c1cc2C(=O)N(CCCn2n1)[*:1]
COCCn1c(SCc2cccnc2)nc2scc(-c3ccccc3Cl)c2c1=O COC[*:1] O=c1c2c(csc2nc(SCc2cccnc2)n1C[*:1])-c1ccccc1Cl
COCCn1c(SCc2cccnc2)nc2scc(-c3ccccc3Cl)c2c1=O c1cncc(c1)C[*:1] COCCn1c(nc2scc(-c3ccccc3Cl)c2c1=O)S[*:1]
COCCn1c(SCc2cccnc2)nc2scc(-c3ccccc3Cl)c2c1=O c1cncc(c1)[*:1] COCCn1c(nc2scc(-c3ccccc3Cl)c2c1=O)SC[*:1]
COCCn1c(SCc2cccnc2)nc2scc(-c3ccccc3Cl)c2c1=O c1cncc(c1)CS[*:1] COCCn1c(nc2scc(-c3ccccc3Cl)c2c1=O)[*:1]
COCCn1c(SCc2cccnc2)nc2scc(-c3ccccc3Cl)c2c1=O COCC[*:1] O=c1c2c(csc2nc(SCc2cccnc2)n1[*:1])-c1ccccc1Cl
COCCn1c(SCc2cccnc2)nc2scc(-c3ccccc3Cl)c2c1=O Clc1ccccc1[*:1] COCCn1c(nc2scc(c2c1=O)[*:1])SCc1cccnc1
C[C@@H](Cn1cccn1)OC(=O)[C@H]1C[C@@H]1c1ccccc1F c1cnn(c1)[*:1] C[C@@H](C[*:1])OC(=O)[C@H]1C[C@@H]1c1ccccc1F
C[C@@H](Cn1cccn1)OC(=O)[C@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] C[C@@H](Cn1cccn1)OC(=O)[C@H]1C[C@H]1[*:1]
C[C@@H](Cn1cccn1)OC(=O)[C@H]1C[C@@H]1c1ccccc1F c1cnn(c1)C[*:1] C[C@@H](OC(=O)[C@H]1C[C@@H]1c1ccccc1F)[*:1]
O=C(OCc1ccccc1)N1CCC[C@H]1/C=C/C[NH+]1CCCC1 c1ccc(cc1)C[*:1] O=C(O[*:1])N1CCC[C@H]1/C=C/C[NH+]1CCCC1
O=C(OCc1ccccc1)N1CCC[C@H]1/C=C/C[NH+]1CCCC1 c1ccc(cc1)[*:1] O=C(OC[*:1])N1CCC[C@H]1/C=C/C[NH+]1CCCC1
COc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)C[*:1] COc1ccccc1C(=O)N(Cc1ccccc1)[*:1]
COc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)[*:1] COc1ccccc1C(=O)N(Cc1ccco1)C[*:1]
COc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)[*:1] COc1ccccc1C(=O)N(Cc1ccccc1)C[*:1]
COc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)C[*:1] COc1ccccc1C(=O)N(Cc1ccco1)[*:1]
COc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccco1 COc1ccccc1[*:1] O=C(N(Cc1ccccc1)Cc1ccco1)[*:1]
Cc1oc(-c2cccs2)nc1CC(=O)NCc1nccc2ccccc12 c1csc(c1)[*:1] Cc1oc(nc1CC(=O)NCc1nccc2ccccc12)[*:1]
COc1ccc(-n2c(N)c(C(=O)Nc3cccc(F)c3)sc2=S)c(OC)c1 Fc1cccc(c1)[*:1] COc1ccc(c(c1)OC)-n1c(N)c(sc1=S)C(=O)N[*:1]
COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(F)c(F)c1F O=[N+]([O-])[*:1] COc1ccc(cc1OS(=O)(=O)c1ccc(F)c(F)c1F)[*:1]
CCc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O Clc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)c1ccc([nH]c1=O)[*:1]
CCc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O CCc1ccccc1[*:1] O=C(N[*:1])c1ccc([nH]c1=O)-c1ccc(Cl)cc1
COCC[C@H](C)C(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1 COC[*:1] Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)[C@@H](C)C[*:1])C1
COCC[C@H](C)C(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1 COCC[C@H](C)[*:1] Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)[*:1])C1
COCC[C@H](C)C(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1 COCC[*:1] Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)[C@@H](C)[*:1])C1
CNC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(C(C)(C)C)cc2)c1 CC(C)(C)[*:1] CNC(=O)c1ccc(=O)n(c1)CC(=O)Nc1ccc(cc1)[*:1]
CNC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(C(C)(C)C)cc2)c1 CNC(=O)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)Cn1cc(ccc1=O)[*:1]
N#C/C(=C/C=C/c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl c1ccc(cc1)[*:1] N#C/C(=C/C=C[*:1])C(=O)Nc1cccc(Cl)c1Cl
C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)CCOc1ccccc1Cl NS(=O)(=O)[*:1] C[C@@H](c1cccc(c1)[*:1])N(C)C(=O)CCOc1ccccc1Cl
C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)CCOc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](c1cccc(c1)S(N)(=O)=O)N(C)C(=O)CCO[*:1]
C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)CCOc1ccccc1Cl Clc1ccccc1O[*:1] C[C@@H](c1cccc(c1)S(N)(=O)=O)N(C)C(=O)CC[*:1]
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(Br)cc3)n2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1ccc(Br)cc1)c1nc(ccc1Cl)[*:1]
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(Br)cc3)n2)n1 Brc1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(Cl)c(n1)C(=O)N[*:1]
N[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] N[C@@H](C[NH3+])c1cccc(c1F)[*:1]
Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 Oc1ccccc1[*:1] Cc1ccc(/C=C/C(=O)N2CCC(CC2)C(=O)N[*:1])cc1
Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 Cc1ccc(C=C[*:1])cc1 O=C(Nc1ccccc1O)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1O)C1CCN(CC1)C(=O)C=C[*:1]
Cc1cc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)no1 O=[N+]([O-])[*:1] Cc1cc(no1)NC(=O)CN(C)C(=O)c1ccc(c(c1)[*:1])N1CCCCCC1
Cc1cc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)no1 Cc1cc(no1)NC(=O)[*:1] CN(C[*:1])C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCCCC1
Cc1cc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)no1 C1CCCN(CC1)[*:1] Cc1cc(no1)NC(=O)CN(C)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1cc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)no1 Cc1cc(no1)NC(=O)C[*:1] CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCCCC1)[*:1]
Cc1cc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)no1 Cc1cc(no1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCCCC1
C[C@H](NC(=O)COc1cccc2c1OC(C)(C)C2)C1CC1 C[C@H](C1CC1)[*:1] CC1(C)Cc2cccc(OCC(=O)N[*:1])c2O1
C[C@H](NC(=O)COc1cccc2c1OC(C)(C)C2)C1CC1 C1CC1[*:1] C[C@H](NC(=O)COc1cccc2CC(C)(C)Oc21)[*:1]
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 Clc1ccc(cc1)[*:1] O=C(Cc1cn(nc1[*:1])-c1ccccc1)N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 c1ccc(cc1)[*:1] O=C(Cc1cn(nc1-c1ccc(Cl)cc1)[*:1])N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(C)c(S(=O)(=O)N[C@H](CC[NH+](C)C)c2ccc(F)cc2)c1 Cc1ccc(C)c(c1)[*:1] C[NH+](C)CC[C@@H](NS(=O)(=O)[*:1])c1ccc(F)cc1
Cc1ccc(C)c(S(=O)(=O)N[C@H](CC[NH+](C)C)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N[C@H](CC[NH+](C)C)[*:1]
C[NH2+][C@H](C1CC1)[C@H]1CCOC2(CCC2)C1 C1CC1[*:1] C[NH2+][C@H]([C@H]1CCOC2(CCC2)C1)[*:1]
CC(C)N(C(=O)[C@H](C)Oc1ccc(F)c(F)c1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)[C@H](C)Oc1ccc(F)c(F)c1)[*:1]
CC(C)N(C(=O)[C@H](C)Oc1ccc(F)c(F)c1)C1CCC1 CC(C)[*:1] C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C1CCC1)[*:1]
O=C(ON1C(=O)c2cccc3cccc(c23)C1=O)c1ccncc1 c1cc(ccn1)[*:1] O=C1c2cccc3cccc(C(=O)N1OC(=O)[*:1])c23
NC(=O)c1ccc(C(F)(F)F)nc1 FC(F)(F)[*:1] NC(=O)c1ccc(nc1)[*:1]
NC(=O)c1ccc(C(F)(F)F)nc1 NC(=O)[*:1] FC(F)(F)c1ccc(cn1)[*:1]
C/C(=N\NC(=O)NC[C@@H]1CCCO1)c1ccc(NC(=O)NC(C)C)cc1 CC(C)[*:1] C/C(=N\NC(=O)NC[C@@H]1CCCO1)c1ccc(cc1)NC(=O)N[*:1]
C/C(=N\NC(=O)NC[C@@H]1CCCO1)c1ccc(NC(=O)NC(C)C)cc1 CC(C)NC(=O)N[*:1] C/C(=N\NC(=O)NC[C@@H]1CCCO1)c1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC(=O)C2=Cc3ccc(OC)cc3OC2)cc1 CNC(=O)C[*:1] COc1ccc2C=C(COc2c1)C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC(=O)C2=Cc3ccc(OC)cc3OC2)cc1 CNC(=O)[*:1] COc1ccc2C=C(COc2c1)C(=O)Nc1ccc(cc1)C[*:1]
Cc1ccc(CNC(=O)CSc2ccc(-c3ccccc3)nn2)cc1 Cc1ccc(cc1)C[*:1] O=C(CSc1ccc(nn1)-c1ccccc1)N[*:1]
Cc1ccc(CNC(=O)CSc2ccc(-c3ccccc3)nn2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1ccc(nn1)-c1ccccc1)NC[*:1]
Cc1ccc(CNC(=O)CSc2ccc(-c3ccccc3)nn2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)CSc1ccc(nn1)[*:1]
Cc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCC[C@@H]2O)c(C)n1CC(C)C CC(C)C[*:1] Cc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCC[C@@H]2O)c(C)n1[*:1]
Cc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCC[C@@H]2O)c(C)n1CC(C)C CC(C)[*:1] Cc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCC[C@@H]2O)c(C)n1C[*:1]
COc1ccccc1N1CCN(/N=C/C(Cl)=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)/N=C/C(/Cl)=C[*:1]
COc1ccccc1N1CCN(/N=C/C(Cl)=C/c2ccccc2)CC1 COc1ccccc1[*:1] ClC(=C\c1ccccc1)/C=N/N1CCN(CC1)[*:1]
O=[N+]([O-])c1ccc(OCc2cc(Cl)ccn2)cc1F O=[N+]([O-])[*:1] Fc1cc(ccc1[*:1])OCc1cc(Cl)ccn1
Cc1cc(C)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccccc2)c(C)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccccc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1sc2nc(SCC(=O)N[*:1])n(Cc3ccccc3)c(=O)c2c1C
Cc1cc(C)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C[*:1])c(C)c1
Cc1ccc(OS(=O)(=O)c2ccc(C#N)c(Cl)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(c1)[*:1]
NS(=O)(=O)c1cccc(NC(=O)c2ccc(CO)cc2)c1 NS(=O)(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)CO
O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 c1ccc(cc1)C[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 Clc1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)S(=O)(=O)C[*:1]
CC[C@@H](Nc1cccc(C2SCCS2)c1)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@@H](Nc1cccc(c1)C1SCCS1)C(=O)N[*:1]
CC[C@@H](Nc1cccc(C2SCCS2)c1)C(=O)Nc1cc(C)on1 C1CSC(S1)[*:1] CC[C@@H](Nc1cccc(c1)[*:1])C(=O)Nc1cc(C)on1
CC[C@@](C)(NC(=O)CN1CCCOC1=O)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@](C)(NC(=O)CN1CCCOC1=O)[*:1]
CC[C@@](C)(NC(=O)CN1CCCOC1=O)c1nc(C)cs1 O=C1OCCCN1[*:1] CC[C@@](C)(NC(=O)C[*:1])c1nc(C)cs1
C[C@H]1Nc2ccccc2C(=O)N1NC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H]1Nc2ccccc2C(=O)N1NC(=O)c1ccc(cc1)[*:1]
CC(C)Oc1c(Br)cc(Br)cc1/C=N/Nc1nnn[n-]1 CC(C)O[*:1] Brc1cc(Br)c(c(/C=N/Nc2nnn[n-]2)c1)[*:1]
CC(C)Oc1c(Br)cc(Br)cc1/C=N/Nc1nnn[n-]1 CC(C)[*:1] Brc1cc(Br)c(O[*:1])c(/C=N/Nc2nnn[n-]2)c1
C[C@@H](OC[C@H]1CCCO1)C(=O)Oc1cc(Cl)ccc1Cl C1CO[C@H](C1)[*:1] C[C@@H](OC[*:1])C(=O)Oc1cc(Cl)ccc1Cl
C[C@@H](OC[C@H]1CCCO1)C(=O)Oc1cc(Cl)ccc1Cl C1CO[C@H](C1)C[*:1] C[C@@H](O[*:1])C(=O)Oc1cc(Cl)ccc1Cl
CCNC(=O)[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 CCNC(=O)[C@H](C)[*:1] O=C(N[*:1])c1cc(on1)-c1ccc(Cl)cc1
CCNC(=O)[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 Clc1ccc(cc1)[*:1] CCNC(=O)[C@H](C)NC(=O)c1cc(on1)[*:1]
CCNC(=O)[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 CCNC(=O)[*:1] C[C@H](NC(=O)c1cc(on1)-c1ccc(Cl)cc1)[*:1]
O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1nc2N[C@H](C[C@H](n2n1)[*:1])c1ccc(Cl)cc1)c1ccco1
O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 Clc1ccc(cc1)[*:1] O=C(Nc1nc2N[C@@H](C[C@H](c3ccccc3)n2n1)[*:1])c1ccco1
O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 O=C(N[*:1])c1ccco1 Clc1ccc(cc1)[C@H]1C[C@H](c2ccccc2)n2nc(nc2N1)[*:1]
O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 c1coc(c1)[*:1] O=C(Nc1nc2N[C@H](C[C@H](c3ccccc3)n2n1)c1ccc(Cl)cc1)[*:1]
Cc1cc(Br)ccc1SCC(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1cc(Br)ccc1SCC(=O)Nc1ccc(cc1)[*:1]
Cc1noc(C2CN(C(=O)c3ccc(Br)o3)C2)n1 Cc1noc(n1)[*:1] O=C(c1ccc(Br)o1)N1CC(C1)[*:1]
Cc1noc(C2CN(C(=O)c3ccc(Br)o3)C2)n1 Brc1ccc(o1)[*:1] Cc1noc(n1)C1CN(C1)C(=O)[*:1]
CN(CCCNC(=O)N1CCCN(c2nccs2)CC1)c1ccccc1F Fc1ccccc1[*:1] CN(CCCNC(=O)N1CCCN(CC1)c1nccs1)[*:1]
CN(CCCNC(=O)N1CCCN(c2nccs2)CC1)c1ccccc1F CN(c1ccccc1F)[*:1] O=C(NCCC[*:1])N1CCCN(CC1)c1nccs1
CN(CCCNC(=O)N1CCCN(c2nccs2)CC1)c1ccccc1F c1csc(n1)[*:1] CN(CCCNC(=O)N1CCCN(CC1)[*:1])c1ccccc1F
O=C(C[NH+]1CCNCC1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(C[NH+]1CCNCC1)Nc1cccc(c1)[*:1]
C=CCOc1ccc(Cl)nc1C#N C=CCO[*:1] N#Cc1nc(Cl)ccc1[*:1]
C=CCOc1ccc(Cl)nc1C#N C=CC[*:1] N#Cc1nc(Cl)ccc1O[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc(Oc2ccccc2)nc1 CC(C)[*:1] O=C(c1ccc(nc1)Oc1ccccc1)N(C[C@@H]1CCCCO1)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc(Oc2ccccc2)nc1 c1ccc(cc1)O[*:1] CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc(nc1)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc(Oc2ccccc2)nc1 c1ccc(cc1)[*:1] CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc(nc1)O[*:1]
CC[C@@H]1CN(CC(=O)Nc2ccccc2OC)c2ccccc2S1 COc1ccccc1[*:1] CC[C@@H]1CN(CC(=O)N[*:1])c2ccccc2S1
CN(CC(C)(C)C[NH3+])C(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CN(CC(C)(C)C[NH3+])C(=O)c1ccc(cc1)[*:1]
Cc1nc(-c2cccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2)no1 Cc1nc(no1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)Nc1cccc(c1)[*:1]
Cc1nc(-c2cccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2)no1 NS(=O)(=O)[*:1] Cc1nc(no1)-c1cccc(c1)NC(=O)Nc1ccc(cc1)[*:1]
CN(Cc1cc(Cl)cn1C)c1nc[nH+]c2nc(N)ccc12 Cn1cc(Cl)cc1[*:1] CN(C[*:1])c1nc[nH+]c2nc(N)ccc12
CS(=O)(=O)c1ccc(CCNC(=O)N2CCOC[C@@H]2C2CC2)cc1 CS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])N1CCOC[C@@H]1C1CC1
CS(=O)(=O)c1ccc(CCNC(=O)N2CCOC[C@@H]2C2CC2)cc1 C1CC1[*:1] CS(=O)(=O)c1ccc(cc1)CCNC(=O)N1CCOC[C@H]1[*:1]
Cc1nc(CCNC(=O)c2coc(COc3ccccc3F)n2)sc1C Fc1ccccc1O[*:1] Cc1nc(CCNC(=O)c2coc(C[*:1])n2)sc1C
Cc1nc(CCNC(=O)c2coc(COc3ccccc3F)n2)sc1C Cc1nc(sc1C)[*:1] O=C(NCC[*:1])c1coc(COc2ccccc2F)n1
Cc1nc(CCNC(=O)c2coc(COc3ccccc3F)n2)sc1C Cc1nc(C[*:1])sc1C O=C(NC[*:1])c1coc(COc2ccccc2F)n1
Cc1nc(CCNC(=O)c2coc(COc3ccccc3F)n2)sc1C Fc1ccccc1[*:1] Cc1nc(CCNC(=O)c2coc(CO[*:1])n2)sc1C
Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F Fc1ccccc1[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CSC[C@@H]1C(=O)N[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F Cc1nn(C)c(Cl)c1[*:1] O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)C=C[*:1]
COCCCC(=O)N1CCN(c2ccc(Br)cn2)CC1 COC[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccc(Br)cn1
COCCCC(=O)N1CCN(c2ccc(Br)cn2)CC1 COCC[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(Br)cn1
COCCCC(=O)N1CCN(c2ccc(Br)cn2)CC1 COCCC[*:1] O=C(N1CCN(CC1)c1ccc(Br)cn1)[*:1]
COCc1cccc(NC(=O)NC[C@H](C)C[C@H](C)O)c1 COC[*:1] C[C@H](O)C[C@@H](C)CNC(=O)Nc1cccc(c1)[*:1]
COCc1cccc(NC(=O)NC[C@H](C)C[C@H](C)O)c1 C[C@H](O)[*:1] COCc1cccc(c1)NC(=O)NC[C@H](C)C[*:1]
COCc1cccc(NC(=O)NC[C@H](C)C[C@H](C)O)c1 C[C@H](O)C[*:1] COCc1cccc(c1)NC(=O)NC[C@H](C)[*:1]
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(CC#N)cc1 O=C([O-])C[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)CC#N)[*:1]
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(CC#N)cc1 O=C([O-])[*:1] C[C@H](C[*:1])NS(=O)(=O)c1ccc(cc1)CC#N
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(CC#N)cc1 N#CC[*:1] C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(cc1)[*:1]
C/C=C(/C)C(=O)Nc1nnc(SCc2ccccc2)s1 CC=C(C)[*:1] O=C(Nc1nnc(SCc2ccccc2)s1)[*:1]
C/C=C(/C)C(=O)Nc1nnc(SCc2ccccc2)s1 c1ccc(cc1)[*:1] C/C=C(/C)C(=O)Nc1nnc(SC[*:1])s1
C[C@@H](Nc1cccc(OCC(N)=O)c1)C(=O)NC(C)(C)C NC(=O)[*:1] C[C@@H](Nc1cccc(c1)OC[*:1])C(=O)NC(C)(C)C
C[C@@H](Nc1cccc(OCC(N)=O)c1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](Nc1cccc(c1)OCC(N)=O)[*:1]
C[C@@H](Nc1cccc(OCC(N)=O)c1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](Nc1cccc(c1)OCC(N)=O)C(=O)N[*:1]
C[C@@H](Nc1cccc(OCC(N)=O)c1)C(=O)NC(C)(C)C NC(=O)CO[*:1] C[C@@H](Nc1cccc(c1)[*:1])C(=O)NC(C)(C)C
C[C@@H](Nc1cccc(OCC(N)=O)c1)C(=O)NC(C)(C)C NC(=O)C[*:1] C[C@@H](Nc1cccc(c1)O[*:1])C(=O)NC(C)(C)C
COc1cccc(NC(=O)CCC(=O)/N=C2/N=N[C@H](C(C)C)S2)c1 CC(C)[*:1] COc1cccc(c1)NC(=O)CCC(=O)/N=C1/N=N[C@H](S1)[*:1]
COc1cccc(NC(=O)CCC(=O)/N=C2/N=N[C@H](C(C)C)S2)c1 COc1cccc(c1)[*:1] CC(C)[C@H]1N=N/C(=N/C(=O)CCC(=O)N[*:1])S1
O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3O)CC2)cs1)c1cnccn1 c1cnc(cn1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])N1CCN(CC1)c1ccccc1O
O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3O)CC2)cs1)c1cnccn1 O=C(N[*:1])c1cnccn1 O=C(Cc1csc(n1)[*:1])N1CCN(CC1)c1ccccc1O
O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3O)CC2)cs1)c1cnccn1 Oc1ccccc1[*:1] O=C(Nc1nc(cs1)CC(=O)N1CCN(CC1)[*:1])c1cnccn1
CC[C@H](O)Cc1ccc(OC)nc1 CC[C@H](O)[*:1] COc1ccc(cn1)C[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl COC(=O)[*:1] O=C(N[C@H]1CCCCC[C@@H]1[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1ccc(cc1Cl)[*:1]
COc1ccccc1O[C@@H](C)CNC(=O)CN1C(=O)CCc2ccccc21 COc1ccccc1O[*:1] C[C@@H](CNC(=O)CN1C(=O)CCc2ccccc21)[*:1]
COc1ccccc1O[C@@H](C)CNC(=O)CN1C(=O)CCc2ccccc21 COc1ccccc1[*:1] C[C@@H](CNC(=O)CN1C(=O)CCc2ccccc21)O[*:1]
CCC[C@@H]1C[C@](O)(Cc2nc3ccccc3s2)CCO1 CCC[*:1] O[C@]1(CCO[C@@H](C1)[*:1])Cc1nc2ccccc2s1
COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1 O=C(N[*:1])c1ccccc1 COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(cc1)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(cc1)NC(=O)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1 COc1cc(Cl)c(C)cc1[*:1] O=C(COc1ccc(cc1)NC(=O)c1ccccc1)N[*:1]
COCCn1cc(NC(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)cn1 COCCn1cc(cn1)[*:1] Cc1c(oc2ccccc12)[C@@H](NC(=O)N[*:1])C(C)C
COCCn1cc(NC(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)cn1 COCC[*:1] Cc1c(oc2ccccc12)[C@@H](NC(=O)Nc1cnn(c1)[*:1])C(C)C
COCCn1cc(NC(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)cn1 COC[*:1] Cc1c(oc2ccccc12)[C@@H](NC(=O)Nc1cnn(c1)C[*:1])C(C)C
COCCn1cc(NC(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)cn1 CC(C)[*:1] COCCn1cc(cn1)NC(=O)N[C@H](c1oc2ccccc2c1C)[*:1]
Cc1cc(CN(C)C(=O)NC2CCC(O)CC2)cc(C)c1OCC(F)(F)F FC(F)(F)[*:1] Cc1cc(cc(C)c1OC[*:1])CN(C)C(=O)NC1CCC(O)CC1
Cc1cc(CN(C)C(=O)NC2CCC(O)CC2)cc(C)c1OCC(F)(F)F FC(F)(F)C[*:1] Cc1cc(cc(C)c1O[*:1])CN(C)C(=O)NC1CCC(O)CC1
Cc1cc(CN(C)C(=O)NC2CCC(O)CC2)cc(C)c1OCC(F)(F)F FC(F)(F)CO[*:1] Cc1cc(cc(C)c1[*:1])CN(C)C(=O)NC1CCC(O)CC1
Cc1cc(CN(C)C(=O)NC2CCC(O)CC2)cc(C)c1OCC(F)(F)F OC1CCC(CC1)[*:1] Cc1cc(cc(C)c1OCC(F)(F)F)CN(C)C(=O)N[*:1]
O=C(NCCCn1ncccc1=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 O=c1cccnn1[*:1] O=C(NCCC[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
O=C(NCCCn1ncccc1=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(NCCCn1ncccc1=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCCn1ncccc1=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 O=c1cccnn1C[*:1] O=C(NCC[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
Cc1ccc(CNc2ncc(S(N)(=O)=O)s2)c(N(C)C)c1 NS(=O)(=O)[*:1] Cc1ccc(CNc2ncc(s2)[*:1])c(c1)N(C)C
Cc1ccc(CNc2ncc(S(N)(=O)=O)s2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNc2ncc(s2)S(N)(=O)=O)c(c1)[*:1]
O=C(Nc1nc2c(s1)CN(C/C=C/c1ccccc1)CC2)[C@@H]1CCCO1 O=C(N[*:1])[C@@H]1CCCO1 C(=C/c1ccccc1)\CN1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(C/C=C/c1ccccc1)CC2)[C@@H]1CCCO1 C(=C[*:1])c1ccccc1 O=C(Nc1nc2CCN(Cc2s1)C[*:1])[C@@H]1CCCO1
O=C(Nc1nc2c(s1)CN(C/C=C/c1ccccc1)CC2)[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(Nc1nc2CCN(CC=C[*:1])Cc2s1)[C@@H]1CCCO1
CC(C)c1nc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)no1 CC(C)c1nc(no1)[*:1] O=C(Cc1ccc2CCCc2c1)N1CCC[C@H]1[*:1]
CC(C)c1nc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)no1 CC(C)[*:1] O=C(Cc1ccc2CCCc2c1)N1CCC[C@H]1c1noc(n1)[*:1]
Cc1nnc(SCc2cccc(NC(=O)OC(C)(C)C)c2)n1N Cc1nnc(n1N)[*:1] CC(C)(C)OC(=O)Nc1cccc(c1)CS[*:1]
Cc1nnc(SCc2cccc(NC(=O)OC(C)(C)C)c2)n1N CC(C)(C)[*:1] Cc1nnc(SCc2cccc(c2)NC(=O)O[*:1])n1N
COc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C(C)C Clc1cccc(c1)[*:1] COc1cc(ccc1NC(=O)C(C)C)NC(=S)NC(=O)[*:1]
COc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C(C)C CC(C)C(=O)N[*:1] COc1cc(ccc1[*:1])NC(=S)NC(=O)c1cccc(Cl)c1
COc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C(C)C CC(C)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=S)NC(=O)c1cccc(Cl)c1
CC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] CC(=O)Nc1cccc(NC(=O)N(C)C[*:1])c1C
CC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Cl)cc2)c1C Clc1ccc(cc1)C[*:1] CC(=O)Nc1cccc(NC(=O)N(C)[*:1])c1C
CC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Cl)cc2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)N(C)Cc1ccc(Cl)cc1
COC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 COC(=O)[*:1] CC(C)n1ncc2c(cc(nc21)-c1ccco1)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 c1coc(c1)[*:1] COC(=O)c1ccc(cc1)NC(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
COC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 CC(C)[*:1] COC(=O)c1ccc(cc1)NC(=O)c1cc(nc2c1cnn2[*:1])-c1ccco1
COC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 COC(=O)c1ccc(cc1)[*:1] CC(C)n1ncc2c(cc(nc21)-c1ccco1)C(=O)N[*:1]
CC[C@H](C)CNc1nc2c(Br)cccn2n1 CC[C@H](C)[*:1] Brc1cccn2nc(nc12)NC[*:1]
CC[C@H](C)CNc1nc2c(Br)cccn2n1 CC[C@H](C)C[*:1] Brc1cccn2nc(nc12)N[*:1]
O=C1c2cccc(OCC(=O)N3CCc4ccccc43)c2CCN1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(COc1cccc2C(=O)N(CCc12)[*:1])N1CCc2ccccc21
O=C1c2cccc(OCC(=O)N3CCc4ccccc43)c2CCN1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1c2cccc(OCC(=O)N3CCc4ccccc43)c2CCN1C[*:1]
O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1sccc1C1CC1 C1CC1[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])c1sccc1C1CC1
O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1sccc1C1CC1 C1CC1[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)c1sccc1[*:1]
CCOC(=O)[C@H](CC)S(=O)(=O)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H](CC)S(=O)(=O)[C@H](C)[*:1]
CCOC(=O)[C@H](CC)S(=O)(=O)[C@H](C)c1ccccc1 CCOC(=O)[*:1] CC[C@H](S(=O)(=O)[C@H](C)c1ccccc1)[*:1]
Cc1cc(C)c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)c1 O=S1(=O)CCCCN1[*:1] Cc1cc(C)c(NC(=O)c2ccc(cc2)[*:1])c(C)c1
CSc1nnc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)s1 CSc1nnc(s1)[*:1] C[C@H]1CN(C[C@@H](O1)c1ccccc1)C[*:1]
CSc1nnc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)s1 c1ccc(cc1)[*:1] CSc1nnc(CN2C[C@H](C)O[C@@H](C2)[*:1])s1
CC(C)NC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CC(C)NC(=O)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)NC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)NC(=O)C1CC1)C(=O)N[*:1]
CC(C)NC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CC(C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCC[NH+](CCC)CC(C)(C)C(C)=O CC(=O)[*:1] CCC[NH+](CCC)CC(C)(C)[*:1]
CCC[NH+](CCC)CC(C)(C)C(C)=O CCC[*:1] CCC[NH+](CC(C)(C)C(C)=O)[*:1]
C[C@H](C(=O)NCc1ncn(C)n1)[NH+]1CCCCCC1 Cn1cnc(n1)[*:1] C[C@H](C(=O)NC[*:1])[NH+]1CCCCCC1
O=C(CSc1nnnn1-c1ccccc1)NC[C@H]1COc2ccccc2O1 c1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])NC[C@H]1COc2ccccc2O1
COc1cccc(-c2cc(C(=O)Nc3nnc(-c4ccsc4)o3)[nH]n2)c1 c1cc(cs1)[*:1] COc1cccc(c1)-c1cc([nH]n1)C(=O)Nc1nnc(o1)[*:1]
COc1cccc(-c2cc(C(=O)Nc3nnc(-c4ccsc4)o3)[nH]n2)c1 COc1cccc(c1)[*:1] O=C(Nc1nnc(o1)-c1ccsc1)c1cc(n[nH]1)[*:1]
COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3n[nH]c(SCc4cccc(C)c4)n3)ccc12 Cc1cccc(c1)CS[*:1] COC(=O)c1c(C)nn2c1ncc1c(=O)n(ccc12)-c1n[nH]c(n1)[*:1]
COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3n[nH]c(SCc4cccc(C)c4)n3)ccc12 Cc1cccc(c1)C[*:1] COC(=O)c1c(C)nn2c1ncc1c(=O)n(ccc12)-c1n[nH]c(n1)S[*:1]
COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3n[nH]c(SCc4cccc(C)c4)n3)ccc12 Cc1cccc(c1)[*:1] COC(=O)c1c(C)nn2c1ncc1c(=O)n(ccc12)-c1n[nH]c(n1)SC[*:1]
COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3n[nH]c(SCc4cccc(C)c4)n3)ccc12 COC(=O)[*:1] Cc1cccc(c1)CSc1nc(n[nH]1)-n1ccc2c(cnc3c(c(C)nn32)[*:1])c1=O
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC[C@@H]1C[NH+]2CCN1CC2 Fc1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)NC[C@@H]1C[NH+]2CCN1CC2)[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=O)NCc2ccccc2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1ccccc1CNC(=O)NNC(=O)CO[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=O)NCc2ccccc2C)c1 Cc1ccccc1C[*:1] Cc1cc(C)cc(c1)OCC(=O)NNC(=O)N[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=O)NCc2ccccc2C)c1 Cc1ccccc1[*:1] Cc1cc(C)cc(c1)OCC(=O)NNC(=O)NC[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)C3CCN(c4cnccn4)CC3)cc12 c1cnc(cn1)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)C1CCN(CC1)[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)C3CCN(c4cnccn4)CC3)cc12 NC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])C1CCN(CC1)c1cnccn1
COCCN(C)[C@@H](C)c1nnnn1-c1ccccc1 COCC[*:1] C[C@@H](c1nnnn1-c1ccccc1)N(C)[*:1]
COCCN(C)[C@@H](C)c1nnnn1-c1ccccc1 COCCN(C)[*:1] C[C@@H](c1nnnn1-c1ccccc1)[*:1]
COCCN(C)[C@@H](C)c1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] COCCN(C)[C@@H](C)c1nnnn1[*:1]
COCCN(C)[C@@H](C)c1nnnn1-c1ccccc1 COC[*:1] C[C@@H](c1nnnn1-c1ccccc1)N(C)C[*:1]
CCC(C)(C)NC(=O)CSc1nnc2cc(C)c3ccc(OC)cc3n12 CCC(C)(C)NC(=O)[*:1] COc1ccc2c(C)cc3nnc(SC[*:1])n3c2c1
CCC(C)(C)NC(=O)CSc1nnc2cc(C)c3ccc(OC)cc3n12 CCC(C)(C)[*:1] COc1ccc2c(C)cc3nnc(SCC(=O)N[*:1])n3c2c1
CC(C)([C@H](O)c1cccc2ccccc12)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)([C@H](O)c1cccc2ccccc12)[*:1]
O=C(NCCCc1ccccc1)[C@H]1CCCN(c2nc3ccccc3[nH]c2=O)C1 c1ccc(cc1)CC[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nc2ccccc2[nH]c1=O
O=C(NCCCc1ccccc1)[C@H]1CCCN(c2nc3ccccc3[nH]c2=O)C1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])[C@H]1CCCN(C1)c1nc2ccccc2[nH]c1=O
O=C(NCCCc1ccccc1)[C@H]1CCCN(c2nc3ccccc3[nH]c2=O)C1 c1ccc(cc1)CCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2ccccc2[nH]c1=O
O=C(NCCCc1ccccc1)[C@H]1CCCN(c2nc3ccccc3[nH]c2=O)C1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)c1nc2ccccc2[nH]c1=O
CS[C@@H]1CC[C@@H](NC(=O)N[C@@H](CO)c2ccccc2F)C1 Fc1ccccc1[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)N[C@@H](CO)[*:1]
O=C(C[C@@H](O)c1cccc(F)c1)N[C@H](CO)c1ccccc1F Fc1cccc(c1)[*:1] O=C(C[C@@H](O)[*:1])N[C@H](CO)c1ccccc1F
O=C(C[C@@H](O)c1cccc(F)c1)N[C@H](CO)c1ccccc1F Fc1ccccc1[*:1] O=C(C[C@@H](O)c1cccc(F)c1)N[C@H](CO)[*:1]
C[NH+](C)C[C@](C)(O)CNC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] C[NH+](C)C[C@](C)(O)CNC(=O)c1cnc(cn1)[*:1]
C[NH+](C)C[C@](C)(O)CNC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] C[NH+](C)C[C@](C)(O)CNC(=O)c1cnc(cn1)O[*:1]
COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 COc1ccccc1[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCN(CC1)[*:1]
Cc1ccc(OCCN(C)C[C@H]2C=NN=C2c2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)OC[*:1] CN(C[C@H]1C=NN=C1c1ccc2OCOc2c1)C[*:1]
Cc1ccc(OCCN(C)C[C@H]2C=NN=C2c2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)OCCN(C)C[C@H]1C=NN=C1[*:1]
Cc1ccc(OCCN(C)C[C@H]2C=NN=C2c2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] CN(CCO[*:1])C[C@H]1C=NN=C1c1ccc2OCOc2c1
Cc1ccc(OCCN(C)C[C@H]2C=NN=C2c2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)O[*:1] CN(CC[*:1])C[C@H]1C=NN=C1c1ccc2OCOc2c1
COCC(=O)N1CCc2sccc2[C@H]1c1ccc(NC(=O)c2ccc(F)cc2)cc1 O=C(N[*:1])c1ccc(F)cc1 COCC(=O)N1CCc2sccc2[C@H]1c1ccc(cc1)[*:1]
COCC(=O)N1CCc2sccc2[C@H]1c1ccc(NC(=O)c2ccc(F)cc2)cc1 COC[*:1] O=C(Nc1ccc(cc1)[C@@H]1c2ccsc2CCN1C(=O)[*:1])c1ccc(F)cc1
COCC(=O)N1CCc2sccc2[C@H]1c1ccc(NC(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COCC(=O)N1CCc2sccc2[C@H]1c1ccc(cc1)NC(=O)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@H]1CCCc2ccc(F)cc21 CSC[*:1] CC[C@@H](N(C)C(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
Cc1ncccc1Oc1cncc([C@H]2CCCN2C(=O)CN2CCOCC2)n1 C1CN(CCO1)C[*:1] Cc1ncccc1Oc1cncc(n1)[C@H]1CCCN1C(=O)[*:1]
Cc1ncccc1Oc1cncc([C@H]2CCCN2C(=O)CN2CCOCC2)n1 Cc1ncccc1[*:1] O=C(CN1CCOCC1)N1CCC[C@@H]1c1cncc(n1)O[*:1]
Cc1ncccc1Oc1cncc([C@H]2CCCN2C(=O)CN2CCOCC2)n1 Cc1ncccc1O[*:1] O=C(CN1CCOCC1)N1CCC[C@@H]1c1cncc(n1)[*:1]
Cc1ncccc1Oc1cncc([C@H]2CCCN2C(=O)CN2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1ncccc1Oc1cncc(n1)[C@H]1CCCN1C(=O)C[*:1]
C[C@@H](NC(=O)c1cccnc1)[C@H](c1cccs1)N1CC[NH+](C)CC1 c1cncc(c1)[*:1] C[C@@H](NC(=O)[*:1])[C@H](c1cccs1)N1CC[NH+](C)CC1
C[C@@H](NC(=O)c1cccnc1)[C@H](c1cccs1)N1CC[NH+](C)CC1 c1csc(c1)[*:1] C[C@@H](NC(=O)c1cccnc1)[C@H](N1CC[NH+](C)CC1)[*:1]
O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 Clc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1
O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 Clc1ccccc1OC[*:1] O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)[*:1]
O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[C@@H](O)[*:1]
O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 Clc1ccccc1O[*:1] O=C(C[*:1])Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1
O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[*:1]
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3cccs3)CC2)c2ccc(F)cc21 O=C([O-])C[*:1] O=C([O-])[C@H](c1cn(c2cc(F)ccc12)[*:1])[NH+]1CCN(CC1)Cc1cccs1
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3cccs3)CC2)c2ccc(F)cc21 c1csc(c1)[*:1] O=C([O-])Cn1cc(c2ccc(F)cc21)[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C[*:1]
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3cccs3)CC2)c2ccc(F)cc21 O=C([O-])[*:1] O=C([O-])[C@H](c1cn(C[*:1])c2cc(F)ccc12)[NH+]1CCN(CC1)Cc1cccs1
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3cccs3)CC2)c2ccc(F)cc21 c1csc(c1)C[*:1] O=C([O-])Cn1cc(c2ccc(F)cc21)[C@@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
COc1ccc(-c2csc3ncnc(NCc4ccccc4)c23)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1csc2ncnc(N[*:1])c12
COc1ccc(-c2csc3ncnc(NCc4ccccc4)c23)cc1 COc1ccc(cc1)[*:1] c1ccc(cc1)CNc1ncnc2scc(c12)[*:1]
COc1ccc(-c2csc3ncnc(NCc4ccccc4)c23)cc1 c1ccc(cc1)CN[*:1] COc1ccc(cc1)-c1csc2ncnc(c12)[*:1]
COc1ccc(-c2csc3ncnc(NCc4ccccc4)c23)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1csc2ncnc(NC[*:1])c12
CSC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 CSC[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)N[C@H](C)[*:1]
CSC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CSC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1C[*:1]
CSC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 CSC[C@@H](C)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)N[*:1]
CCc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C(C)(C)C)o1 CCc1ccc(o1)[*:1] CC(C)(C)[C@H](NC(=O)CN1C(=O)N[C@](C)(C1=O)C1CC1)[*:1]
CCc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C(C)(C)C)o1 C1CC1[*:1] CCc1ccc(o1)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1])C(C)(C)C
CCc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C(C)(C)C)o1 CC(C)(C)[*:1] CCc1ccc(o1)[C@@H](NC(=O)CN1C(=O)N[C@](C)(C1=O)C1CC1)[*:1]
CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1N[C@@H]1CCN(C)C1=O CN1CC[C@H](C1=O)[*:1] CC[C@H]1CN(CC[C@@H]1N[*:1])S(=O)(=O)C(C)C
CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1N[C@@H]1CCN(C)C1=O CC(C)[*:1] CC[C@H]1CN(CC[C@@H]1N[C@@H]1CCN(C)C1=O)S(=O)(=O)[*:1]
C[C@H]1CN(Cc2ccccc2NC(=O)c2ccncc2F)C[C@H](C)O1 Fc1cnccc1[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)[*:1])C[C@H](C)O1
CC(C)[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccccn1 CC(C)[*:1] O=C(N[C@H](c1ccccn1)[*:1])c1cc(F)c(F)cc1Cl
CC(C)[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)c1cc(F)c(F)cc1Cl)[*:1]
COC(=O)c1ccc(C)c(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 c1ccc(cc1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)c1c(C)nn(c1C)[*:1]
COC(=O)c1ccc(C)c(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)c1c(C)nn(-c2ccccc2)c1C)[*:1]
CC(C)c1c(C(=O)N(C)CC(=O)Nc2ccccc2Cl)cnn1-c1ccccc1 Clc1ccccc1[*:1] CC(C)c1c(cnn1-c1ccccc1)C(=O)N(C)CC(=O)N[*:1]
CC(C)c1c(C(=O)N(C)CC(=O)Nc2ccccc2Cl)cnn1-c1ccccc1 CC(C)[*:1] CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cnn(-c2ccccc2)c1[*:1]
CC(C)c1c(C(=O)N(C)CC(=O)Nc2ccccc2Cl)cnn1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)c1c(cnn1[*:1])C(=O)N(C)CC(=O)Nc1ccccc1Cl
Cc1ccsc1[C@@H]1N[C@@H](C(=O)[O-])CS1 O=C([O-])[*:1] Cc1ccsc1[C@@H]1N[C@@H](CS1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)o1 c1cnn(c1)C[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)N1CCC[C@H]1[*:1]
CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)o1 CNS(=O)(=O)[*:1] O=C(c1ccc(o1)[*:1])N1CCC[C@@H]1Cn1cccn1
CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)o1 c1cnn(c1)[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)N1CCC[C@@H]1C[*:1]
CC(C)C[NH2+]Cc1ccc(COc2ccccc2Br)nc1 Brc1ccccc1[*:1] CC(C)C[NH2+]Cc1ccc(CO[*:1])nc1
CC(C)C[NH2+]Cc1ccc(COc2ccccc2Br)nc1 CC(C)C[*:1] Brc1ccccc1OCc1ccc(cn1)C[NH2+][*:1]
CC(C)C[NH2+]Cc1ccc(COc2ccccc2Br)nc1 CC(C)[*:1] Brc1ccccc1OCc1ccc(cn1)C[NH2+]C[*:1]
CCCn1cnnc1[C@H]1CCCN(C(=O)c2cnn3cccnc23)C1 CCCn1cnnc1[*:1] O=C(c1cnn2cccnc12)N1CCC[C@@H](C1)[*:1]
CCCn1cnnc1[C@H]1CCCN(C(=O)c2cnn3cccnc23)C1 CCC[*:1] O=C(c1cnn2cccnc12)N1CCC[C@@H](C1)c1nncn1[*:1]
NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)cc1 NC(=O)c1ccc(cc1)NC(=O)[*:1] O=C(OC[*:1])c1c2CC/C(=C\c3ccc(O)cc3)c2nc2ccccc12
NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(COC(=O)c1c2CC/C(=C\c3ccc(O)cc3)c2nc2ccccc12)N[*:1]
NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)cc1 Oc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)COC(=O)c1c2CCC(=C[*:1])c2nc2ccccc12
NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)cc1 NC(=O)[*:1] O=C(COC(=O)c1c2CC/C(=C\c3ccc(O)cc3)c2nc2ccccc12)Nc1ccc(cc1)[*:1]
COc1ccc(F)cc1C(=O)OCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] COc1ccc(F)cc1C(=O)OCC(=O)N[*:1]
O=C(CCc1ccccc1)NCCC1=CCCCC1 c1ccc(cc1)[*:1] O=C(CC[*:1])NCCC1=CCCCC1
CCOC(=O)[C@@]1(Nc2cccc(C)c2)CCCS[C@H]1C CCOC(=O)[*:1] Cc1cccc(c1)N[C@]1(CCCS[C@H]1C)[*:1]
CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 CC(C)[*:1] C[C@H]([NH2+][C@H](C)[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(c1)[*:1]
CC1(C)C[C@@H]([NH2+]CCCOc2ccccc2)C(C)(C)O1 c1ccc(cc1)[*:1] CC1(C)C[C@@H]([NH2+]CCCO[*:1])C(C)(C)O1
NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)C1 NC(=O)[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(C)c(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)c1 Fc1cccc(c1)[*:1] Cc1ccc(C)c(c1)NC(=O)N1CCN(CC1)Cc1cc(=O)n2nc(sc2n1)[*:1]
Cc1ccc(C)c(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[*:1])N1CCN(CC1)Cc1cc(=O)n2nc(sc2n1)-c1cccc(F)c1
O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NC[C@@H]1COc2ccccc2O1)[*:1]
COc1ccccc1[C@@H]1CCN(Cc2cnc(C(C)C)s2)C1 CC(C)[*:1] COc1ccccc1[C@@H]1CCN(Cc2cnc(s2)[*:1])C1
Cc1ccccc1CN1CCCN(c2ccc(C(=O)Nc3ccccc3F)cc2)C1=O Cc1ccccc1[*:1] O=C(Nc1ccccc1F)c1ccc(cc1)N1CCCN(C[*:1])C1=O
Cc1ccccc1CN1CCCN(c2ccc(C(=O)Nc3ccccc3F)cc2)C1=O Fc1ccccc1[*:1] Cc1ccccc1CN1CCCN(C1=O)c1ccc(cc1)C(=O)N[*:1]
Cc1ccccc1CN1CCCN(c2ccc(C(=O)Nc3ccccc3F)cc2)C1=O Cc1ccccc1C[*:1] O=C(Nc1ccccc1F)c1ccc(cc1)N1CCCN(C1=O)[*:1]
Cc1ccccc1CN1CCCN(c2ccc(C(=O)Nc3ccccc3F)cc2)C1=O O=C(Nc1ccccc1F)[*:1] Cc1ccccc1CN1CCCN(C1=O)c1ccc(cc1)[*:1]
O=C(c1cccc2cc[nH]c12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 c1cc(c2[nH]ccc2c1)[*:1] O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)[*:1]
O=C(c1cccc2cc[nH]c12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(c1cccc2cc[nH]c12)N1CCN(CC1)c1cccc(c1)[*:1]
Cc1nc(C2CCN(C(=O)N[C@H](C)CCCC(C)C)CC2)no1 CC(C)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@H](C)CCC[*:1]
Cc1nc(C2CCN(C(=O)N[C@H](C)CCCC(C)C)CC2)no1 CC(C)C[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@H](C)CC[*:1]
Cc1nc(C2CCN(C(=O)N[C@H](C)CCCC(C)C)CC2)no1 Cc1nc(no1)[*:1] CC(C)CCC[C@@H](C)NC(=O)N1CCC(CC1)[*:1]
Cc1nc(C2CCN(C(=O)N[C@H](C)CCCC(C)C)CC2)no1 CC(C)CC[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@H](C)C[*:1]
Cc1nc(C2CCN(C(=O)N[C@H](C)CCCC(C)C)CC2)no1 CC(C)CCC[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@H](C)[*:1]
CCCC(=O)Nc1ccc(CNC(=O)c2cc(-c3ccccc3F)on2)cc1 Fc1ccccc1[*:1] CCCC(=O)Nc1ccc(cc1)CNC(=O)c1cc(on1)[*:1]
CCCC(=O)Nc1ccc(CNC(=O)c2cc(-c3ccccc3F)on2)cc1 CCC[*:1] O=C(NCc1ccc(cc1)NC(=O)[*:1])c1cc(on1)-c1ccccc1F
CCCC(=O)Nc1ccc(CNC(=O)c2cc(-c3ccccc3F)on2)cc1 CCCC(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc(on1)-c1ccccc1F
CC(C)(C)NC(=O)CNc1ccccc1F CC(C)(C)[*:1] O=C(CNc1ccccc1F)N[*:1]
CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@@H](Sc2nc(C)n[nH]2)C1 Cc1n[nH]c(n1)S[*:1] CCOC(=O)[C@@]1(CC[C@@H](C1)[*:1])[NH2+]C(C)C
CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@@H](Sc2nc(C)n[nH]2)C1 Cc1n[nH]c(n1)[*:1] CCOC(=O)[C@@]1(CC[C@H](C1)S[*:1])[NH2+]C(C)C
CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@@H](Sc2nc(C)n[nH]2)C1 CCOC(=O)[*:1] Cc1n[nH]c(n1)S[C@@H]1CC[C@](C1)([NH2+]C(C)C)[*:1]
CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@@H](Sc2nc(C)n[nH]2)C1 CC(C)[*:1] CCOC(=O)[C@@]1(CC[C@H](C1)Sc1nc(C)n[nH]1)[NH2+][*:1]
CCO[C@@H](C)c1nc(CN2CCCN(c3nc(C)ns3)CC2)cs1 CCO[*:1] Cc1nsc(n1)N1CCCN(CC1)Cc1csc(n1)[C@H](C)[*:1]
CCO[C@@H](C)c1nc(CN2CCCN(c3nc(C)ns3)CC2)cs1 CCO[C@@H](C)[*:1] Cc1nsc(n1)N1CCCN(CC1)Cc1csc(n1)[*:1]
CCO[C@@H](C)c1nc(CN2CCCN(c3nc(C)ns3)CC2)cs1 Cc1nsc(n1)[*:1] CCO[C@@H](C)c1nc(cs1)CN1CCCN(CC1)[*:1]
CCCNc1nnc(S(=O)(=O)[C@@H](C)c2ccccc2F)s1 Fc1ccccc1[*:1] CCCNc1nnc(s1)S(=O)(=O)[C@@H](C)[*:1]
CCCNc1nnc(S(=O)(=O)[C@@H](C)c2ccccc2F)s1 CCC[*:1] C[C@@H](c1ccccc1F)S(=O)(=O)c1nnc(N[*:1])s1
CCCNc1nnc(S(=O)(=O)[C@@H](C)c2ccccc2F)s1 CCCN[*:1] C[C@@H](c1ccccc1F)S(=O)(=O)c1nnc(s1)[*:1]
C[C@](O)(CC(=O)NC[C@@H]1COc2ccccc2O1)C(F)(F)F C[C@](O)(C(F)(F)F)[*:1] O=C(C[*:1])NC[C@@H]1COc2ccccc2O1
C[C@](O)(CC(=O)NC[C@@H]1COc2ccccc2O1)C(F)(F)F FC(F)(F)[*:1] C[C@](O)(CC(=O)NC[C@@H]1COc2ccccc2O1)[*:1]
CC[C@H](C)C[C@@H](C)n1c(CCl)nc2c(C)ccnc21 CC[C@H](C)[*:1] Cc1ccnc2c1nc(CCl)n2[C@H](C)C[*:1]
CC[C@H](C)C[C@@H](C)n1c(CCl)nc2c(C)ccnc21 CC[C@H](C)C[*:1] Cc1ccnc2c1nc(CCl)n2[C@H](C)[*:1]
NC(=O)CC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 NC(=O)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(CC1)C[*:1]
NC(=O)CC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 NC(=O)C[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(CC1)[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2cccn(CC(F)(F)F)c2=O)c1 Cc1ccc(C)c(c1)[*:1] O=c1c(cccn1CC(F)(F)F)NS(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2cccn(CC(F)(F)F)c2=O)c1 FC(F)(F)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1cccn(c1=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2cccn(CC(F)(F)F)c2=O)c1 FC(F)(F)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1cccn(C[*:1])c1=O
CC(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)c3cnn(-c4ccc(C)cc4)c3N)C2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1ncc(C(=O)[C@H]2CCCN(C2)C(=O)[*:1])c1N
CC(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)c3cnn(-c4ccc(C)cc4)c3N)C2)cc1 CC(=O)N[*:1] Cc1ccc(cc1)-n1ncc(C(=O)[C@H]2CCCN(C2)C(=O)c2ccc(cc2)[*:1])c1N
CC(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)c3cnn(-c4ccc(C)cc4)c3N)C2)cc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)c1cnn(c1N)[*:1]
C=CCN(Cc1noc(-c2ccccc2Cl)n1)S(=O)(=O)c1cccs1 Clc1ccccc1[*:1] C=CCN(Cc1noc(n1)[*:1])S(=O)(=O)c1cccs1
C=CCN(Cc1noc(-c2ccccc2Cl)n1)S(=O)(=O)c1cccs1 C=CC[*:1] O=S(=O)(c1cccs1)N(Cc1noc(n1)-c1ccccc1Cl)[*:1]
C=CCN(Cc1noc(-c2ccccc2Cl)n1)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] C=CCN(Cc1noc(n1)-c1ccccc1Cl)S(=O)(=O)[*:1]
Cc1ccc(Cn2c(=O)c3c(C(=O)N4CCCCC4)cc(C)nc3n(C)c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(C[*:1])c(=O)n(C)c2n1
Cc1ccc(Cn2c(=O)c3c(C(=O)N4CCCCC4)cc(C)nc3n(C)c2=O)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)Cn1c(=O)c2c(cc(C)nc2n(C)c1=O)[*:1]
Cc1ccc(Cn2c(=O)c3c(C(=O)N4CCCCC4)cc(C)nc3n(C)c2=O)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(c(=O)n(C)c2n1)[*:1]
CCn1c2ccccc2c2cc(NC(=O)C(=O)NC3CCCC3)ccc21 C1CCC(C1)[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)C(=O)N[*:1]
O=S(=O)(c1ccccc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 c1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)c1ccc(nn1)-n1cccn1)[*:1]
O=S(=O)(c1ccccc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 c1cnn(c1)[*:1] O=S(=O)(c1ccccc1)N1CCN(CC1)c1ccc(nn1)[*:1]
CCn1ccnc1C(=O)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] CCn1ccnc1C(=O)C1(CCCC1)[*:1]
Cc1cccc(NC2=NN=C(c3ccc4c(c3)CCC(=O)N4)CS2)c1C Cc1cccc(c1C)[*:1] O=C1CCc2cc(ccc2N1)C1CSC(=NN=1)N[*:1]
CCNC(=O)C1CCN(C(=O)[C@H](C)CC2CCCCC2)CC1 C1CCC(CC1)[*:1] CCNC(=O)C1CCN(CC1)C(=O)[C@H](C)C[*:1]
CCNC(=O)C1CCN(C(=O)[C@H](C)CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] CCNC(=O)C1CCN(CC1)C(=O)[C@H](C)[*:1]
CCNC(=O)C1CCN(C(=O)[C@H](C)CC2CCCCC2)CC1 CCNC(=O)[*:1] C[C@H](CC1CCCCC1)C(=O)N1CCC(CC1)[*:1]
Cc1cc(F)cc(N[C@H](C(N)=O)c2ccc(F)cc2C)c1 NC(=O)[*:1] Cc1cc(F)cc(c1)N[C@H](c1ccc(F)cc1C)[*:1]
Cc1occc1C(=O)Nc1ccccc1C(C)(C)C Cc1occc1[*:1] CC(C)(C)c1ccccc1NC(=O)[*:1]
Cc1occc1C(=O)Nc1ccccc1C(C)(C)C CC(C)(C)[*:1] Cc1occc1C(=O)Nc1ccccc1[*:1]
CNC(=O)C1CCN(C(=O)CCC(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] CNC(=O)C1CCN(CC1)C(=O)CCC(=O)[*:1]
CNC(=O)C1CCN(C(=O)CCC(=O)c2ccc(F)cc2F)CC1 CNC(=O)[*:1] O=C(CCC(=O)N1CCC(CC1)[*:1])c1ccc(F)cc1F
CC(C)N1CC[C@H](NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)C1=O c1ccc(cc1)CC[*:1] CC(C)N1CC[C@H](NC(=O)N2CC[C@H](C2)OC[*:1])C1=O
CC(C)N1CC[C@H](NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)C1=O c1ccc(cc1)[*:1] CC(C)N1CC[C@H](NC(=O)N2CC[C@H](C2)OCCC[*:1])C1=O
CC(C)N1CC[C@H](NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)C1=O c1ccc(cc1)C[*:1] CC(C)N1CC[C@H](NC(=O)N2CC[C@H](C2)OCC[*:1])C1=O
CC(C)N1CC[C@H](NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)C1=O c1ccc(cc1)CCC[*:1] CC(C)N1CC[C@H](NC(=O)N2CC[C@H](C2)O[*:1])C1=O
CC(C)N1CC[C@H](NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)C1=O CC(C)[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])N1CC[C@H](C1)OCCCc1ccccc1
COc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[nH]1 Clc1ccc(cc1)[*:1] COc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2[*:1])c(=O)[nH]1
COc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[nH]1 COc1ccccc1[*:1] O=C(CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[nH]1)N[*:1]
CC[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[*:1]
CN(Cc1[nH+]ccn1C)C(=O)Nc1ccccc1OCC(F)(F)F FC(F)(F)CO[*:1] CN(Cc1[nH+]ccn1C)C(=O)Nc1ccccc1[*:1]
CN(Cc1[nH+]ccn1C)C(=O)Nc1ccccc1OCC(F)(F)F FC(F)(F)C[*:1] CN(Cc1[nH+]ccn1C)C(=O)Nc1ccccc1O[*:1]
CN(Cc1[nH+]ccn1C)C(=O)Nc1ccccc1OCC(F)(F)F FC(F)(F)[*:1] CN(Cc1[nH+]ccn1C)C(=O)Nc1ccccc1OC[*:1]
CCCC(=O)Nc1ccc(-n2cnc(C(=O)N3CCCCCC3)c2)nc1 CCCC(=O)N[*:1] O=C(c1cn(cn1)-c1ccc(cn1)[*:1])N1CCCCCC1
CCCC(=O)Nc1ccc(-n2cnc(C(=O)N3CCCCCC3)c2)nc1 CCC[*:1] O=C(c1cn(cn1)-c1ccc(cn1)NC(=O)[*:1])N1CCCCCC1
O=C([O-])c1cc(-c2ccoc2)n[nH]1 O=C([O-])[*:1] c1cc(co1)-c1cc([nH]n1)[*:1]
Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 c1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)C[*:1])c21)C(=O)Nc1cccc2ncccc12
Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 c1ccc(cc1)C[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)Nc1cccc2ncccc12
Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 c1cc(c2cccnc2c1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)Cc3ccccc3)c21)C(=O)N[*:1]
Cc1cc(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)no1 Cc1cc(no1)[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(Cl)cc1)N[*:1]
Cc1cc(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)no1 Clc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C[NH+]1CCN(CC1)[*:1]
N#Cc1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])c1ccccc1Sc1ccc(Br)cn1
N#Cc1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)cc1 Brc1ccc(nc1)[*:1] N#Cc1ccc(cc1)NC(=O)c1ccccc1S[*:1]
N#Cc1ccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)cc1 Brc1ccc(nc1)S[*:1] N#Cc1ccc(cc1)NC(=O)c1ccccc1[*:1]
CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O CC(C)CC[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1cccc(c1)C(F)(F)F
CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O CC(C)C[*:1] C[C@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1cccc(c1)C(F)(F)F
CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O FC(F)(F)[*:1] CC(C)CCNC(=O)CN1C(=O)N[C@](C)(C1=O)c1cccc(c1)[*:1]
CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O CC(C)CCNC(=O)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cccc(c1)C(F)(F)F
CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O CC(C)[*:1] C[C@]1(NC(=O)N(CC(=O)NCC[*:1])C1=O)c1cccc(c1)C(F)(F)F
CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O CC(C)CCNC(=O)C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1cccc(c1)C(F)(F)F
C=CCN1C(=O)N=C(N)[C@@H]1c1ccc(F)c(F)c1 C=CC[*:1] NC1=NC(=O)N([C@H]1c1ccc(F)c(F)c1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NCc2csc(COc3ccc(Cl)cc3)n2)C1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NCc1csc(CO[*:1])n1
C[NH+](C)[C@@H]1CC[C@H](NCc2csc(COc3ccc(Cl)cc3)n2)C1 Clc1ccc(cc1)O[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NCc1csc(C[*:1])n1
CC(C)C[C@@H](C)OCCC(=O)Nc1cc[nH]n1 c1cc(n[nH]1)[*:1] CC(C)C[C@@H](C)OCCC(=O)N[*:1]
CC(C)C[C@@H](C)OCCC(=O)Nc1cc[nH]n1 CC(C)C[*:1] C[C@@H](OCCC(=O)Nc1cc[nH]n1)[*:1]
CC(C)C[C@@H](C)OCCC(=O)Nc1cc[nH]n1 CC(C)[*:1] C[C@H](C[*:1])OCCC(=O)Nc1cc[nH]n1
CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)/N=c3\[nH]c4ccccc4s3)CC2=O)cc1 CN(C)S(=O)(=O)[*:1] O=C(/N=c1\[nH]c2ccccc2s1)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
Cc1cc(C)n(CCNC(=O)C(=O)NC2CCCC2)n1 C1CCC(C1)[*:1] Cc1cc(C)n(CCNC(=O)C(=O)N[*:1])n1
O=C(NCCc1cscn1)c1nc[nH]n1 c1nc(cs1)[*:1] O=C(NCC[*:1])c1nc[nH]n1
O=C(NCCc1cscn1)c1nc[nH]n1 c1nc(n[nH]1)[*:1] O=C(NCCc1cscn1)[*:1]
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)c(F)c1 O=[N+]([O-])[*:1] O=C(OCc1ccc(cc1)[*:1])c1cc(F)c(F)c(F)c1
CC1(C)CCC[C@@H](OCC(F)(F)C(F)(F)F)[C@@H]1O FC(F)(F)[*:1] CC1(C)CCC[C@@H](OCC(F)(F)[*:1])[C@@H]1O
C[C@@H]1CCN(C(=O)NCC2(c3ccccc3Cl)CCC2)C[C@H]1O Clc1ccccc1[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCC1(CCC1)[*:1]
Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(C(N)=O)cc2)s1 Cc1ccccc1N[*:1] NC(=O)c1ccc(cc1)NC(=O)CSc1nnc(s1)[*:1]
Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(C(N)=O)cc2)s1 NC(=O)[*:1] Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(cc2)[*:1])s1
Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(C(N)=O)cc2)s1 NC(=O)c1ccc(cc1)[*:1] Cc1ccccc1Nc1nnc(SCC(=O)N[*:1])s1
Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(C(N)=O)cc2)s1 Cc1ccccc1[*:1] NC(=O)c1ccc(cc1)NC(=O)CSc1nnc(N[*:1])s1
CC(C)(C)N1C[C@@H](NC(=O)NC[C@@H]2CCC[C@H](O)C2)CC1=O O[C@H]1CCC[C@H](C1)[*:1] CC(C)(C)N1C[C@H](CC1=O)NC(=O)NC[*:1]
CC(C)(C)N1C[C@@H](NC(=O)NC[C@@H]2CCC[C@H](O)C2)CC1=O CC(C)(C)[*:1] O=C(NC[C@@H]1CCC[C@H](O)C1)N[C@H]1CC(=O)N(C1)[*:1]
CC[C@@H](C#N)OC(=O)c1cccc(-n2ccnc2SC)c1 CSc1nccn1[*:1] CC[C@@H](C#N)OC(=O)c1cccc(c1)[*:1]
Cc1nc(N2CCC[C@H]2C(=O)N[C@@H]2CCc3ccccc32)nc2cc(S(C)(=O)=O)ccc12 c1ccc2c(c1)CC[C@H]2[*:1] Cc1nc(nc2cc(ccc12)S(C)(=O)=O)N1CCC[C@H]1C(=O)N[*:1]
Cc1nc(N2CCC[C@H]2C(=O)N[C@@H]2CCc3ccccc32)nc2cc(S(C)(=O)=O)ccc12 CS(=O)(=O)[*:1] Cc1nc(nc2cc(ccc12)[*:1])N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21
CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2OC(=O)c3ccccc32)cc1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1ccc(cc1)N[C@@H]1OC(=O)c2ccccc21)[*:1]
CN(C[C@@H]1CC(c2cccc(F)c2)=NO1)C(=O)CC(C)(C)C CC(C)(C)[*:1] CN(C[C@@H]1CC(=NO1)c1cccc(F)c1)C(=O)C[*:1]
CN(C[C@@H]1CC(c2cccc(F)c2)=NO1)C(=O)CC(C)(C)C CC(C)(C)C[*:1] CN(C[C@@H]1CC(=NO1)c1cccc(F)c1)C(=O)[*:1]
CN(C[C@@H]1CC(c2cccc(F)c2)=NO1)C(=O)CC(C)(C)C Fc1cccc(c1)[*:1] CN(C[C@@H]1CC(=NO1)[*:1])C(=O)CC(C)(C)C
Cn1ccnc1S[C@H]1C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]2(C)C1=O Cn1ccnc1[*:1] C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)[C@H](C[C@H]12)S[*:1]
Cn1ccnc1S[C@H]1C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]2(C)C1=O Cn1ccnc1S[*:1] C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)[C@H](C[C@H]12)[*:1]
O[C@@H](C[NH2+][C@H]1CCCC[C@H]1C1CCCCC1)C1CCOCC1 C1CC(CCO1)[*:1] O[C@@H](C[NH2+][C@H]1CCCC[C@H]1C1CCCCC1)[*:1]
O[C@@H](C[NH2+][C@H]1CCCC[C@H]1C1CCCCC1)C1CCOCC1 C1CCC(CC1)[*:1] O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1[*:1])C1CCOCC1
NC(=O)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2ccccc21 NC(=O)[*:1] O=C(Cn1cc(ccc1=O)[N+](=O)[O-])N1CC[C@@H](c2ccccc21)[*:1]
NC(=O)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2ccccc21 O=[N+]([O-])[*:1] NC(=O)[C@H]1CCN(C(=O)Cn2cc(ccc2=O)[*:1])c2ccccc21
Cc1c(C(=O)N(C)Cc2csc3ccccc23)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N(C)Cc1csc2ccccc12
C=CCn1c(SCC(=O)NC(=O)NCC(C)C)nc2ccccc21 CC(C)[*:1] C=CCn1c(nc2ccccc21)SCC(=O)NC(=O)NC[*:1]
C=CCn1c(SCC(=O)NC(=O)NCC(C)C)nc2ccccc21 C=CC[*:1] CC(C)CNC(=O)NC(=O)CSc1nc2ccccc2n1[*:1]
C=CCn1c(SCC(=O)NC(=O)NCC(C)C)nc2ccccc21 CC(C)C[*:1] C=CCn1c(nc2ccccc21)SCC(=O)NC(=O)N[*:1]
Cc1cccc(OCc2nc3ccc(Cl)cc3n2CCC[NH+](C)C)c1 Cc1cccc(c1)O[*:1] C[NH+](C)CCCn1c(C[*:1])nc2ccc(Cl)cc21
Cc1cccc(OCc2nc3ccc(Cl)cc3n2CCC[NH+](C)C)c1 Cc1cccc(c1)[*:1] C[NH+](C)CCCn1c(CO[*:1])nc2ccc(Cl)cc21
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cc3ccccc3c3cccnc23)c1C Cc1cccc(O[*:1])c1C C[C@H](C(=O)NNC(=O)c1cc2ccccc2c2cccnc12)[*:1]
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cc3ccccc3c3cccnc23)c1C Cc1cccc(c1C)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)c1cc2ccccc2c2cccnc12
O=C([O-])c1ccc2c(=O)n(Cc3cccnc3)c(=O)[nH]c2c1 c1cncc(c1)[*:1] O=C([O-])c1ccc2c(=O)n(C[*:1])c(=O)[nH]c2c1
O=C([O-])c1ccc2c(=O)n(Cc3cccnc3)c(=O)[nH]c2c1 c1cncc(c1)C[*:1] O=C([O-])c1ccc2c(=O)n(c(=O)[nH]c2c1)[*:1]
O=C([O-])c1ccc2c(=O)n(Cc3cccnc3)c(=O)[nH]c2c1 O=C([O-])[*:1] O=c1[nH]c2cc(ccc2c(=O)n1Cc1cccnc1)[*:1]
Cn1cc([C@H]2CN(Cc3ccc(-c4cccc(F)c4)s3)CCO2)cn1 Fc1cccc(c1)[*:1] Cn1cc(cn1)[C@H]1CN(CCO1)Cc1ccc(s1)[*:1]
Cn1cc([C@H]2CN(Cc3ccc(-c4cccc(F)c4)s3)CCO2)cn1 Cn1cc(cn1)[*:1] Fc1cccc(c1)-c1ccc(CN2CCO[C@H](C2)[*:1])s1
CCOC(=O)[C@@H]1CC(C)(C)C(=O)N1C(=O)OC(C)(C)C CC(C)(C)[*:1] CCOC(=O)[C@@H]1CC(C)(C)C(=O)N1C(=O)O[*:1]
CCOC(=O)[C@@H]1CC(C)(C)C(=O)N1C(=O)OC(C)(C)C CCOC(=O)[*:1] CC(C)(C)OC(=O)N1C(=O)C(C)(C)C[C@H]1[*:1]
CC(C)CCN(C)C(=O)NCc1ccccc1CN1CCCC1=O CC(C)C[*:1] CN(C[*:1])C(=O)NCc1ccccc1CN1CCCC1=O
CC(C)CCN(C)C(=O)NCc1ccccc1CN1CCCC1=O O=C1CCCN1[*:1] CC(C)CCN(C)C(=O)NCc1ccccc1C[*:1]
CC(C)CCN(C)C(=O)NCc1ccccc1CN1CCCC1=O CC(C)CC[*:1] CN(C(=O)NCc1ccccc1CN1CCCC1=O)[*:1]
CC(C)CCN(C)C(=O)NCc1ccccc1CN1CCCC1=O O=C1CCCN1C[*:1] CC(C)CCN(C)C(=O)NCc1ccccc1[*:1]
CC(C)CCN(C)C(=O)NCc1ccccc1CN1CCCC1=O CC(C)[*:1] CN(CC[*:1])C(=O)NCc1ccccc1CN1CCCC1=O
O=C(C[C@@H]1CCCO1)Nc1cc(F)c(F)c(F)c1 C1CO[C@@H](C1)[*:1] O=C(C[*:1])Nc1cc(F)c(F)c(F)c1
O=C(C[C@@H]1CCCO1)Nc1cc(F)c(F)c(F)c1 C1CO[C@@H](C1)C[*:1] O=C(Nc1cc(F)c(F)c(F)c1)[*:1]
Cc1cc(C)c2c(CC(=O)N3C[C@H](O)[C@@H](N4CCOCC4)C3)coc2c1C C1CN(CCO1)[*:1] Cc1cc(C)c2c(coc2c1C)CC(=O)N1C[C@H](O)[C@@H](C1)[*:1]
c1ccc(-c2nc([C@@H]3CC[C@H]4CCCC[C@@H]4[NH2+]3)n[nH]2)cc1 c1ccc(cc1)[*:1] C1CC[C@@H]2CC[C@H]([NH2+][C@H]2C1)c1n[nH]c(n1)[*:1]
O=C(Cn1cnc2ccccc21)NCCn1nc(-c2cccs2)oc1=O c1csc(c1)[*:1] O=C(Cn1cnc2ccccc21)NCCn1nc(oc1=O)[*:1]
CC[C@@H](C)N1C(N)=[NH+]C[C@]12CCC(C)(C)c1ccccc12 CC[C@@H](C)[*:1] CC1(C)CC[C@]2(C[NH+]=C(N)N2[*:1])c2ccccc21
CCc1ccc(NCc2noc(-c3ccsc3)n2)cc1 c1cc(cs1)[*:1] CCc1ccc(cc1)NCc1noc(n1)[*:1]
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 CCO[*:1] N#C/C(=C/c1ccc(cc1)[*:1])C(=O)Nc1ccc(Cl)cc1Cl
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] CCOc1ccc(/C=C(/C#N)C(=O)N[*:1])cc1
CC(C)n1c([C@H]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)nn(C)c1=O CC(C)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)Nc2ccc(cc2)C(F)(F)F)n(c1=O)[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)nn(C)c1=O FC(F)(F)[*:1] CC(C)n1c(nn(C)c1=O)[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(C(F)(F)F)c2)n(C)c1=O FC(F)(F)[*:1] Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(c2)[*:1])n(C)c1=O
Cc1ccccc1COC1CCN(C(=O)c2cccnc2OCC(F)F)CC1 FC(F)C[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)c1cccnc1O[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccnc2OCC(F)F)CC1 FC(F)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)c1cccnc1OC[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccnc2OCC(F)F)CC1 FC(F)CO[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)c1cccnc1[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccnc2OCC(F)F)CC1 Cc1ccccc1C[*:1] O=C(c1cccnc1OCC(F)F)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccnc2OCC(F)F)CC1 Cc1ccccc1CO[*:1] O=C(c1cccnc1OCC(F)F)N1CCC(CC1)[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccnc2OCC(F)F)CC1 Cc1ccccc1[*:1] O=C(c1cccnc1OCC(F)F)N1CCC(CC1)OC[*:1]
COc1ccc(NC(=O)NCC(=O)NC2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)NC(=O)NCC(=O)N[*:1]
COc1ccc(NC(=O)NCC(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] COc1ccc(cc1)NC(=O)NC[*:1]
Cc1nc(C)c(CCCl)c(Cl)n1 ClCC[*:1] Cc1nc(C)c(c(Cl)n1)[*:1]
C[NH+](C)[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)C1CC1 C1CC1[*:1] C[NH+](C)[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)[*:1]
C#CC[C@H](C)OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 C#CC[*:1] C[C@H](OC(=O)CCC(=O)c1ccc2OCCOc2c1)[*:1]
C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCC[C@H]1[*:1]
C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O c1ccc(cc1)C[*:1] C[C@@H](C(=O)N(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O)[*:1]
C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O c1ccc(cc1)[*:1] C[C@@H](C[*:1])C(=O)N(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(CC#N)CC#N)cc1 N#CC[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)C(=O)N(CC#N)[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N(CC#N)CC#N)cc1 N#CCN(CC#N)C(=O)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)[*:1]
C[C@H](Sc1nccn1C)C(=O)NC1CCCCCC1 Cn1ccnc1[*:1] C[C@H](S[*:1])C(=O)NC1CCCCCC1
Cc1ccc(OCC(=O)NC(=S)Nc2c(C)cc(C)cc2C)cc1 Cc1ccc(cc1)O[*:1] Cc1cc(C)c(NC(=S)NC(=O)C[*:1])c(C)c1
Cc1ccc(OCC(=O)NC(=S)Nc2c(C)cc(C)cc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=S)NC(=O)CO[*:1])c(C)c1
O=C([O-])[C@H](Cc1cccc(Br)c1)CC1CCC1 O=C([O-])[*:1] Brc1cccc(c1)C[C@H](CC1CCC1)[*:1]
O=C([O-])[C@H](Cc1cccc(Br)c1)CC1CCC1 C1CC(C1)C[*:1] O=C([O-])[C@H](Cc1cccc(Br)c1)[*:1]
O=C([O-])[C@H](Cc1cccc(Br)c1)CC1CCC1 C1CC(C1)[*:1] O=C([O-])[C@H](Cc1cccc(Br)c1)C[*:1]
COc1cc(N)ccc1SCC(=O)NC1CCCC1 C1CCC(C1)[*:1] COc1cc(N)ccc1SCC(=O)N[*:1]
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1[*:1]
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCOCC1 O=C([O-])[*:1] O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1CCCC[C@H]1[*:1]
COC(=O)c1ccccc1NC(=O)c1cccc(F)c1 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(F)c1
COC(=O)CCNC(=O)c1cccc2c1ccn2C COC(=O)CC[*:1] Cn1ccc2c(cccc21)C(=O)N[*:1]
COC(=O)CCNC(=O)c1cccc2c1ccn2C COC(=O)[*:1] Cn1ccc2c(cccc21)C(=O)NCC[*:1]
COC(=O)CCNC(=O)c1cccc2c1ccn2C COC(=O)C[*:1] Cn1ccc2c(cccc21)C(=O)NC[*:1]
Cc1cc(OCC(C)(C)C(=O)[O-])cc(C(C)C)c1 O=C([O-])[*:1] Cc1cc(cc(c1)C(C)C)OCC(C)(C)[*:1]
Cc1cc(OCC(C)(C)C(=O)[O-])cc(C(C)C)c1 CC(C)[*:1] Cc1cc(cc(c1)[*:1])OCC(C)(C)C(=O)[O-]
Cc1cc(OCC(C)(C)C(=O)[O-])cc(C(C)C)c1 CC(C)(C(=O)[O-])[*:1] Cc1cc(cc(c1)C(C)C)OC[*:1]
Cc1sc(NC(=O)c2cccc(N(C)C)c2)c(C#N)c1C CN(C)[*:1] Cc1sc(NC(=O)c2cccc(c2)[*:1])c(C#N)c1C
NC(=O)[C@@H]1CC(C(=O)Nc2cc[nH]n2)=NN1c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CC(=NN1[*:1])C(=O)Nc1cc[nH]n1
NC(=O)[C@@H]1CC(C(=O)Nc2cc[nH]n2)=NN1c1ccccc1 c1cc(n[nH]1)[*:1] NC(=O)[C@@H]1CC(=NN1c1ccccc1)C(=O)N[*:1]
NC(=O)[C@@H]1CC(C(=O)Nc2cc[nH]n2)=NN1c1ccccc1 NC(=O)[*:1] O=C(Nc1cc[nH]n1)C1C[C@H](N(N=1)c1ccccc1)[*:1]
CC1=C(S(=O)(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)[C@H](C)ON1 c1ccc2c(c[nH]c2c1)[*:1] CC1NO[C@@H](C)C=1S(=O)(=O)NC[C@H](c1cccs1)[*:1]
CC1=C(S(=O)(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)[C@H](C)ON1 c1csc(c1)[*:1] CC1NO[C@@H](C)C=1S(=O)(=O)NC[C@H](c1c[nH]c2ccccc12)[*:1]
CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1N(C)C CN(C)[*:1] CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1[*:1]
CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1N(C)C FC(F)(F)[*:1] CN(Cc1ccccc1[*:1])C(=O)Nc1ccccc1N(C)C
Cc1ccc([C@H]2C[NH+]=C(N)N2Cc2ccccc2)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(c(C)c1)[C@H]1C[NH+]=C(N)N1[*:1]
Cc1ccc([C@H]2C[NH+]=C(N)N2Cc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)[C@H]1C[NH+]=C(N)N1C[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)c2cc(-c3cccnc3)on2)C1 CC(C)C[*:1] O=C(NC[C@H]1CN(CCO1)[*:1])c1cc(on1)-c1cccnc1
CC(C)CN1CCO[C@@H](CNC(=O)c2cc(-c3cccnc3)on2)C1 CC(C)[*:1] O=C(NC[C@H]1CN(CCO1)C[*:1])c1cc(on1)-c1cccnc1
CC(C)CN1CCO[C@@H](CNC(=O)c2cc(-c3cccnc3)on2)C1 c1cncc(c1)[*:1] CC(C)CN1CCO[C@@H](CNC(=O)c2cc(on2)[*:1])C1
COc1ccc(C(=O)N(C)Cc2cc3ccccc3[nH]c2=O)cc1 COc1ccc(cc1)[*:1] CN(Cc1cc2ccccc2[nH]c1=O)C(=O)[*:1]
CCCC(=O)NCC[NH+]1CCN(c2nc3c(C)ccc(Cl)c3s2)CC1 CCCC(=O)NC[*:1] Cc1ccc(Cl)c2sc(nc12)N1CC[NH+](CC1)C[*:1]
CCCC(=O)NCC[NH+]1CCN(c2nc3c(C)ccc(Cl)c3s2)CC1 CCC[*:1] Cc1ccc(Cl)c2sc(nc12)N1CC[NH+](CCNC(=O)[*:1])CC1
CCCC(=O)NCC[NH+]1CCN(c2nc3c(C)ccc(Cl)c3s2)CC1 CCCC(=O)NCC[*:1] Cc1ccc(Cl)c2sc(nc12)N1CC[NH+](CC1)[*:1]
CCCC(=O)NCC[NH+]1CCN(c2nc3c(C)ccc(Cl)c3s2)CC1 CCCC(=O)N[*:1] Cc1ccc(Cl)c2sc(nc12)N1CC[NH+](CC1)CC[*:1]
O=C1/C(=C/c2ccccc2Br)Oc2c1ccc1c2CN(C2CC2)CO1 C1CC1[*:1] O=C1/C(=C/c2ccccc2Br)Oc2c1ccc1OCN(Cc12)[*:1]
O=C1/C(=C/c2ccccc2Br)Oc2c1ccc1c2CN(C2CC2)CO1 Brc1ccccc1[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(Cc12)C1CC1
O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccc(cc1)C(F)(F)F
O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] O=C(Nc1ccccc1)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 O=C(Nc1ccccc1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)C(F)(F)F
CCCCOc1ccc([C@H]2[C@H](C(N)=O)C(C)=Nc3nnnn32)cc1OC CCCCO[*:1] COc1cc(ccc1[*:1])[C@H]1[C@H](C(N)=O)C(C)=Nc2nnnn21
CCCCOc1ccc([C@H]2[C@H](C(N)=O)C(C)=Nc3nnnn32)cc1OC CCC[*:1] COc1cc(ccc1OC[*:1])[C@H]1[C@H](C(N)=O)C(C)=Nc2nnnn21
CCCCOc1ccc([C@H]2[C@H](C(N)=O)C(C)=Nc3nnnn32)cc1OC CCCC[*:1] COc1cc(ccc1O[*:1])[C@H]1[C@H](C(N)=O)C(C)=Nc2nnnn21
CCCCOc1ccc([C@H]2[C@H](C(N)=O)C(C)=Nc3nnnn32)cc1OC NC(=O)[*:1] CCCCOc1ccc(cc1OC)[C@H]1[C@H](C(C)=Nc2nnnn21)[*:1]
C/[NH+]=C(/NCc1cc(C(C)C)no1)N1CCN(c2ccc(F)cc2)CC1 CC(C)[*:1] C/[NH+]=C(/NCc1cc(no1)[*:1])N1CCN(CC1)c1ccc(F)cc1
C/[NH+]=C(/NCc1cc(C(C)C)no1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C/[NH+]=C(/NCc1cc(no1)C(C)C)N1CCN(CC1)[*:1]
C/[NH+]=C(/NCc1cc(C(C)C)no1)N1CCN(c2ccc(F)cc2)CC1 CC(C)c1cc(on1)[*:1] C/[NH+]=C(/NC[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(Nc1ccn(Cc2cccc3cccnc23)n1)[C@@H]1CCCO1 O=C(N[*:1])[C@@H]1CCCO1 c1cnc2c(cccc2c1)Cn1ccc(n1)[*:1]
CCOCCCC(=O)N[C@@H]1CCCc2ccc(F)cc21 CCOCCC[*:1] O=C(N[C@@H]1CCCc2ccc(F)cc21)[*:1]
CCOCCCC(=O)N[C@@H]1CCCc2ccc(F)cc21 CCOCC[*:1] O=C(C[*:1])N[C@@H]1CCCc2ccc(F)cc21
CCOCCCC(=O)N[C@@H]1CCCc2ccc(F)cc21 CCOC[*:1] O=C(CC[*:1])N[C@@H]1CCCc2ccc(F)cc21
CCOCCCC(=O)N[C@@H]1CCCc2ccc(F)cc21 CCO[*:1] O=C(CCC[*:1])N[C@@H]1CCCc2ccc(F)cc21
NC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 NC(=O)C[*:1] O=S(=O)(c1cccc(Br)c1)N1CCN(CC1)[*:1]
NC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 NC(=O)[*:1] O=S(=O)(c1cccc(Br)c1)N1CCN(CC1)C[*:1]
CC(=O)N1N=C(c2n[nH]c3c2CCCC3)O[C@H]1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] CC(=O)N1N=C(O[C@@H]1[*:1])c1n[nH]c2CCCCc12
Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)Nc1cccc(c1)O[*:1]
CC[C@H](c1ccccc1)c1n[nH]c2c1CN(C(=O)c1ccc(OC)o1)CC2 CC[C@H](c1ccccc1)[*:1] COc1ccc(o1)C(=O)N1CCc2[nH]nc(c2C1)[*:1]
CC[C@H](c1ccccc1)c1n[nH]c2c1CN(C(=O)c1ccc(OC)o1)CC2 c1ccc(cc1)[*:1] CC[C@H](c1n[nH]c2CCN(Cc12)C(=O)c1ccc(OC)o1)[*:1]
CC[C@H](c1ccccc1)c1n[nH]c2c1CN(C(=O)c1ccc(OC)o1)CC2 COc1ccc(o1)[*:1] CC[C@H](c1ccccc1)c1n[nH]c2CCN(Cc12)C(=O)[*:1]
c1ncn(C[C@H]2CN(Cc3nc(C4CC4)no3)CCO2)n1 c1ncn(C[*:1])n1 C1CN(Cc2nc(no2)C2CC2)C[C@@H](O1)[*:1]
c1ncn(C[C@H]2CN(Cc3nc(C4CC4)no3)CCO2)n1 c1ncn(n1)[*:1] C1CN(Cc2nc(no2)C2CC2)C[C@H](C[*:1])O1
c1ncn(C[C@H]2CN(Cc3nc(C4CC4)no3)CCO2)n1 C1CC1[*:1] c1ncn(C[C@H]2CN(CCO2)Cc2nc(no2)[*:1])n1
Cn1ncc2c1CCCN(C(=O)Cc1cccc(F)c1)C2 Fc1cccc(c1)[*:1] Cn1ncc2CN(CCCc21)C(=O)C[*:1]
CC(C)(C)NC(=O)N1CCC[C@H]1c1nc(C2CC2)no1 C1CC1[*:1] CC(C)(C)NC(=O)N1CCC[C@H]1c1nc(no1)[*:1]
CC(C)(C)NC(=O)N1CCC[C@H]1c1nc(C2CC2)no1 CC(C)(C)[*:1] O=C(N[*:1])N1CCC[C@H]1c1nc(no1)C1CC1
Cc1cccc(NC(=O)N2CCC[C@@H]2CN(C)c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)N2CCC[C@@H]2CN(C)[*:1])c1C
Cc1cccc(NC(=O)N2CCC[C@@H]2CN(C)c2ccccc2)c1C Cc1cccc(c1C)[*:1] CN(C[C@H]1CCCN1C(=O)N[*:1])c1ccccc1
Cc1cccc(NC(=O)N2CCC[C@@H]2CN(C)c2ccccc2)c1C CN(c1ccccc1)[*:1] Cc1cccc(NC(=O)N2CCC[C@@H]2C[*:1])c1C
COc1cccc(C[NH+]2CCN(C(=S)Nc3ccccc3C(F)(F)F)CC2)c1 FC(F)(F)[*:1] COc1cccc(c1)C[NH+]1CCN(CC1)C(=S)Nc1ccccc1[*:1]
COc1cccc(C[NH+]2CCN(C(=S)Nc3ccccc3C(F)(F)F)CC2)c1 COc1cccc(c1)[*:1] FC(F)(F)c1ccccc1NC(=S)N1CC[NH+](CC1)C[*:1]
COc1cccc(C[NH+]2CCN(C(=S)Nc3ccccc3C(F)(F)F)CC2)c1 COc1cccc(c1)C[*:1] FC(F)(F)c1ccccc1NC(=S)N1CC[NH+](CC1)[*:1]
Cn1ncnc1C[NH+](C)CC(=O)NCc1ccc2c(c1)OCO2 Cn1ncnc1[*:1] C[NH+](CC(=O)NCc1ccc2OCOc2c1)C[*:1]
CN(CC(=O)Oc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 Clc1cccc(c1)[*:1] CN(CC(=O)O[*:1])S(=O)(=O)c1ccc(F)cc1
CN(CC(=O)Oc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CC(=O)Oc1cccc(Cl)c1)S(=O)(=O)[*:1]
O=C(COC(=O)c1ccccc1Br)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(COC(=O)c1ccccc1Br)c1ccc(cc1)O[*:1]
O=C(COC(=O)c1ccccc1Br)c1ccc(OC(F)F)cc1 Brc1ccccc1[*:1] O=C(COC(=O)[*:1])c1ccc(cc1)OC(F)F
O=C(COC(=O)c1ccccc1Br)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(COC(=O)c1ccccc1Br)c1ccc(cc1)[*:1]
C=C(C)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 C=C(C)COC(=O)[*:1] CC(C)(C)NS(=O)(=O)c1cc(ccc1Cl)[*:1]
C=C(C)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 C=C(C)[*:1] CC(C)(C)NS(=O)(=O)c1cc(ccc1Cl)C(=O)OC[*:1]
C=C(C)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 C=C(C)C[*:1] CC(C)(C)NS(=O)(=O)c1cc(ccc1Cl)C(=O)O[*:1]
C=C(C)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] C=C(C)COC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
Cc1ccc(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)C(=O)Nc1cc(ccc1O)[*:1]
Cc1ccc(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cc(ccc1O)[N+](=O)[O-])C(=O)[*:1]
NC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2C2OCCO2)cc1 NC(=O)N[*:1] O=C(c1ccc(cc1)C[*:1])N1CCCC[C@H]1C1OCCO1
NC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2C2OCCO2)cc1 C1COC(O1)[*:1] NC(=O)NCc1ccc(cc1)C(=O)N1CCCC[C@@H]1[*:1]
NC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2C2OCCO2)cc1 NC(=O)NC[*:1] O=C(c1ccc(cc1)[*:1])N1CCCC[C@H]1C1OCCO1
Cc1cc(N[C@@H](C)c2ccc(Br)cc2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N[C@@H](C)c1ccc(Br)cc1
Cc1cc(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(N1CCc2cc(Cl)cc(Cl)c2C1)[*:1]
CCn1nc(C)cc1C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 CCn1nc(C)cc1[*:1] O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[*:1]
CCn1nc(C)cc1C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCn1nc(C)cc1C(=O)N[C@@H](c1ccccc1)[*:1]
CCn1nc(C)cc1C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] CCn1nc(C)cc1C(=O)N[C@@H](c1cccc(F)c1)[*:1]
COCCCN(C(=O)c1cc2ccccc2n1C)[C@@H]1CCS(=O)(=O)C1 COC[*:1] Cn1c(cc2ccccc21)C(=O)N(CC[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)c1cc2ccccc2n1C)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] Cn1c(cc2ccccc21)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)c1cc2ccccc2n1C)[C@@H]1CCS(=O)(=O)C1 COCCC[*:1] Cn1c(cc2ccccc21)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 c1c[nH]c(n1)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CC2)cnc1N1CC[NH2+]CC1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)c1cc(cnc1N1CC[NH2+]CC1)NC(=O)C1CC1
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CC2)cnc1N1CC[NH2+]CC1 O=C(N[*:1])C1CC1 CCN(Cc1ccccc1)C(=O)c1cc(cnc1N1CC[NH2+]CC1)[*:1]
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CC2)cnc1N1CC[NH2+]CC1 c1ccc(cc1)C[*:1] CCN(C(=O)c1cc(cnc1N1CC[NH2+]CC1)NC(=O)C1CC1)[*:1]
CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CC2)cnc1N1CC[NH2+]CC1 C1CC1[*:1] CCN(Cc1ccccc1)C(=O)c1cc(cnc1N1CC[NH2+]CC1)NC(=O)[*:1]
Cc1ccoc1[C@@H](C)[NH2+]Cc1ccc(O)c(Br)c1 Cc1ccoc1[*:1] C[C@@H]([NH2+]Cc1ccc(O)c(Br)c1)[*:1]
Cn1cc(NC(=O)NCc2ccccc2OCc2ccccc2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)NC(=O)NCc1ccccc1O[*:1]
Cn1cc(NC(=O)NCc2ccccc2OCc2ccccc2)cn1 c1ccc(cc1)CO[*:1] Cn1cc(cn1)NC(=O)NCc1ccccc1[*:1]
Cn1cc(NC(=O)NCc2ccccc2OCc2ccccc2)cn1 Cn1cc(cn1)[*:1] O=C(NCc1ccccc1OCc1ccccc1)N[*:1]
Cn1cc(NC(=O)NCc2ccccc2OCc2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)NC(=O)NCc1ccccc1OC[*:1]
COC(=O)C1=C(C)Nc2sc(C(=O)Nc3cc(C)on3)c(N)c2[C@@H]1c1ccc(OC)c(OC)c1 Cc1cc(no1)NC(=O)[*:1] COC(=O)C1=C(C)Nc2sc(c(N)c2[C@@H]1c1ccc(OC)c(c1)OC)[*:1]
COC(=O)C1=C(C)Nc2sc(C(=O)Nc3cc(C)on3)c(N)c2[C@@H]1c1ccc(OC)c(OC)c1 Cc1cc(no1)[*:1] COC(=O)C1=C(C)Nc2sc(C(=O)N[*:1])c(N)c2[C@@H]1c1ccc(OC)c(c1)OC
COC(=O)C1=C(C)Nc2sc(C(=O)Nc3cc(C)on3)c(N)c2[C@@H]1c1ccc(OC)c(OC)c1 COc1ccc(cc1OC)[*:1] COC(=O)C1=C(C)Nc2sc(C(=O)Nc3cc(C)on3)c(N)c2[C@H]1[*:1]
COC(=O)C1=C(C)Nc2sc(C(=O)Nc3cc(C)on3)c(N)c2[C@@H]1c1ccc(OC)c(OC)c1 COC(=O)[*:1] COc1ccc(cc1OC)[C@@H]1C(=C(C)Nc2sc(C(=O)Nc3cc(C)on3)c(N)c21)[*:1]
C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](Sc1nc(n[nH]1)-c1cccs1)C(=O)N1CCC(CC1)C[*:1]
C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CCC(Cc2ccccc2)CC1 c1csc(c1)[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)N1CCC(CC1)Cc1ccccc1
C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](Sc1nc(n[nH]1)-c1cccs1)C(=O)N1CCC(CC1)[*:1]
Cc1nn(CN2CCC[C@@H](CCC(N)=O)C2)c(C)c1[N+](=O)[O-] NC(=O)CC[*:1] Cc1nn(CN2CCC[C@@H](C2)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CN2CCC[C@@H](CCC(N)=O)C2)c(C)c1[N+](=O)[O-] NC(=O)[*:1] Cc1nn(CN2CCC[C@@H](CC[*:1])C2)c(C)c1[N+](=O)[O-]
Cc1nn(CN2CCC[C@@H](CCC(N)=O)C2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CN2CCC[C@@H](CCC(N)=O)C2)c(C)c1[*:1]
Cc1nn(CN2CCC[C@@H](CCC(N)=O)C2)c(C)c1[N+](=O)[O-] NC(=O)C[*:1] Cc1nn(CN2CCC[C@H](C2)C[*:1])c(C)c1[N+](=O)[O-]
COC(=O)c1ccc(/N=C2\S/C(=C\c3ccccc3OC)C(=O)N2C)cc1 COC(=O)[*:1] COc1ccccc1/C=C1\S/C(=N\c2ccc(cc2)[*:1])N(C)C1=O
COC(=O)c1ccc(/N=C2\S/C(=C\c3ccccc3OC)C(=O)N2C)cc1 COc1ccccc1[*:1] COC(=O)c1ccc(cc1)/N=C1\SC(=C[*:1])C(=O)N1C
C/C(=C\c1ccc(F)cc1)C(=O)NC1(C#N)CC[NH+](C)CC1 Fc1ccc(cc1)[*:1] CC(=C[*:1])C(=O)NC1(C#N)CC[NH+](C)CC1
CC(C)Nc1nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)s1 CC(C)[*:1] CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(N[*:1])s1
CC(C)Nc1nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)s1 CC(C)N[*:1] CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(s1)[*:1]
CC(C)Nc1nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)s1 CC(C)[C@](C)(C#N)[*:1] CC(C)Nc1nnc(S[C@H](C)C(=O)N[*:1])s1
CC(C)Nc1nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)s1 CC(C)[*:1] CC(C)Nc1nnc(S[C@H](C)C(=O)N[C@](C)(C#N)[*:1])s1
CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=S)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 CC(C)C(=O)N[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1ccccc1
CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 CC(C)[*:1] O=C(NC(=S)Nc1ccc(cc1)NC(=O)[*:1])c1ccccc1
Cc1cnc2c(c1SCc1ccc(C(F)(F)F)cc1)c(=O)n(C)c(=O)n2C FC(F)(F)[*:1] Cc1cnc2c(c1SCc1ccc(cc1)[*:1])c(=O)n(C)c(=O)n2C
CSC(C)(C)CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 O=S(=O)(NC1CC1)[*:1] CSC(C)(C)CNC(=O)c1ccc(cc1)[*:1]
CSC(C)(C)CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 CSC(C)(C)[*:1] O=C(NC[*:1])c1ccc(cc1)S(=O)(=O)NC1CC1
CSC(C)(C)CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 CSC(C)(C)C[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NC1CC1
CSC(C)(C)CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 C1CC1[*:1] CSC(C)(C)CNC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CCC[C@H](NC(=O)c1cc(F)ccc1O)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1cc(F)ccc1O)[*:1]
CCC[C@H](NC(=O)c1cc(F)ccc1O)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1cc(F)ccc1O)[*:1]
Cc1cc(Br)ccc1OCC(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 Cc1cc(Br)ccc1[*:1] O=C(CO[*:1])NC(=S)Nc1ccc(Cl)c(Cl)c1
Cc1cc(Br)ccc1OCC(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] Cc1cc(Br)ccc1OCC(=O)NC(=S)N[*:1]
CN(Cc1ccc(Br)cc1)C(=O)Cc1csc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CN(Cc1ccc(Br)cc1)C(=O)Cc1csc(C[*:1])n1
CN(Cc1ccc(Br)cc1)C(=O)Cc1csc(Cc2ccccc2)n1 Brc1ccc(cc1)C[*:1] CN(C(=O)Cc1csc(Cc2ccccc2)n1)[*:1]
CN(Cc1ccc(Br)cc1)C(=O)Cc1csc(Cc2ccccc2)n1 Brc1ccc(cc1)[*:1] CN(C[*:1])C(=O)Cc1csc(Cc2ccccc2)n1
CN(Cc1ccc(Br)cc1)C(=O)Cc1csc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CN(Cc1ccc(Br)cc1)C(=O)Cc1csc(n1)[*:1]
Cc1cc(C)n(Cc2cccc(C[NH2+]Cc3ccccc3C)c2)n1 Cc1ccccc1[*:1] Cc1cc(C)n(Cc2cccc(c2)C[NH2+]C[*:1])n1
Cc1cc(C)n(Cc2cccc(C[NH2+]Cc3ccccc3C)c2)n1 Cc1ccccc1C[*:1] Cc1cc(C)n(Cc2cccc(c2)C[NH2+][*:1])n1
Cc1cc(C)n(Cc2cccc(C[NH2+]Cc3ccccc3C)c2)n1 Cc1cc(C)n(C[*:1])n1 Cc1ccccc1C[NH2+]Cc1cccc(c1)[*:1]
Cc1cc(C)n(Cc2cccc(C[NH2+]Cc3ccccc3C)c2)n1 Cc1cc(C)n(n1)[*:1] Cc1ccccc1C[NH2+]Cc1cccc(c1)C[*:1]
O=C([O-])[C@@H](S)[C@H](S)C(=O)[O-] O=C([O-])[*:1] O=C([O-])[C@@H](S)[C@H](S)[*:1]
N#C[C@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1ccc(F)cn1 c1ccc(cc1)[*:1] N#C[C@H](C(=O)c1ccnc(c1)OC[*:1])c1ccc(F)cn1
N#C[C@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1ccc(F)cn1 c1ccc(cc1)C[*:1] N#C[C@H](C(=O)c1ccnc(c1)O[*:1])c1ccc(F)cn1
N#C[C@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@H](C(=O)c1ccnc(c1)OCc1ccccc1)[*:1]
N#C[C@H](C(=O)c1ccnc(OCc2ccccc2)c1)c1ccc(F)cn1 c1ccc(cc1)CO[*:1] N#C[C@H](C(=O)c1ccnc(c1)[*:1])c1ccc(F)cn1
Cc1c(N[C@H](C)C(=O)Nc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(N[C@H](C)C(=O)Nc2ccc(Br)cc2)c(=O)n(n1C)[*:1]
Cc1c(N[C@H](C)C(=O)Nc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C Brc1ccc(cc1)[*:1] Cc1c(N[C@H](C)C(=O)N[*:1])c(=O)n(-c2ccccc2)n1C
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)CSc2nnc(N)s2)CC1 Nc1nnc(s1)[*:1] CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)CS[*:1]
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)CSc2nnc(N)s2)CC1 Nc1nnc(SC[*:1])s1 CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)[*:1]
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)CSc2nnc(N)s2)CC1 Nc1nnc(S[*:1])s1 CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)C[*:1]
CCNC(=O)CC[NH+](C)Cc1ccc(Br)cc1 CCNC(=O)[*:1] C[NH+](CC[*:1])Cc1ccc(Br)cc1
CCc1cccc2c(C(=O)COc3ccc(-c4nnco4)cc3)c[nH]c12 c1nnc(o1)[*:1] CCc1cccc2c(c[nH]c12)C(=O)COc1ccc(cc1)[*:1]
Cc1nc(NC(=O)Cc2c[nH]c3ccccc23)sc1SCC(N)=O NC(=O)CS[*:1] Cc1nc(NC(=O)Cc2c[nH]c3ccccc23)sc1[*:1]
Cc1nc(NC(=O)Cc2c[nH]c3ccccc23)sc1SCC(N)=O NC(=O)C[*:1] Cc1nc(NC(=O)Cc2c[nH]c3ccccc23)sc1S[*:1]
Cc1nc(NC(=O)Cc2c[nH]c3ccccc23)sc1SCC(N)=O NC(=O)[*:1] Cc1nc(NC(=O)Cc2c[nH]c3ccccc23)sc1SC[*:1]
COCCN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C#N)cc1 COC[*:1] Cc1cccc(c1)CN(C[*:1])S(=O)(=O)c1ccc(C#N)cc1
COCCN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C#N)cc1 Cc1cccc(c1)C[*:1] COCCN(S(=O)(=O)c1ccc(C#N)cc1)[*:1]
COCCN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C#N)cc1 Cc1cccc(c1)[*:1] COCCN(C[*:1])S(=O)(=O)c1ccc(C#N)cc1
COCCN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] COCCN(Cc1cccc(C)c1)S(=O)(=O)[*:1]
COCCN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C#N)cc1 COCC[*:1] Cc1cccc(c1)CN(S(=O)(=O)c1ccc(C#N)cc1)[*:1]
Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(Cc3nc(-c4ccco4)no3)CC2)C1 c1coc(c1)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)CN1CCN(CC1)Cc1nc(no1)[*:1]
C[C@@H](CCn1cncn1)[NH2+]C[C@H](O)c1ccccc1Cl c1ncn(n1)[*:1] C[C@@H](CC[*:1])[NH2+]C[C@H](O)c1ccccc1Cl
C[C@@H](CCn1cncn1)[NH2+]C[C@H](O)c1ccccc1Cl c1ncn(C[*:1])n1 C[C@@H](C[*:1])[NH2+]C[C@H](O)c1ccccc1Cl
O=C1[C@H](NS(=O)(=O)c2ccc3oc(=O)ccc3c2)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](CCN1[*:1])NS(=O)(=O)c1ccc2oc(=O)ccc2c1
Cc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1C Cc1ccc(cc1C)[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC(=O)N2 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccc2NC(=O)CCc2c1
CN(Cc1ccccc1OC(F)(F)F)c1ccc(C(N)=O)cc1[N+](=O)[O-] FC(F)(F)O[*:1] CN(Cc1ccccc1[*:1])c1ccc(cc1[N+](=O)[O-])C(N)=O
CN(Cc1ccccc1OC(F)(F)F)c1ccc(C(N)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(Cc1ccccc1OC(F)(F)F)c1ccc(cc1[*:1])C(N)=O
CN(Cc1ccccc1OC(F)(F)F)c1ccc(C(N)=O)cc1[N+](=O)[O-] FC(F)(F)[*:1] CN(Cc1ccccc1O[*:1])c1ccc(cc1[N+](=O)[O-])C(N)=O
CN(Cc1ccccc1OC(F)(F)F)c1ccc(C(N)=O)cc1[N+](=O)[O-] NC(=O)[*:1] CN(Cc1ccccc1OC(F)(F)F)c1ccc(cc1[N+](=O)[O-])[*:1]
C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CC2CC2)CC1 C=CC[*:1] C[C@@H](C(=O)NC(=O)N[*:1])N1CC[NH+](CC1)CC1CC1
C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CC1)C[*:1]
C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CC1)[*:1]
Cc1cccc(N2C(=[NH2+])NC[C@@H]2c2ccc(F)cc2C)c1 Cc1cccc(c1)[*:1] Cc1cc(F)ccc1[C@H]1CNC(=[NH2+])N1[*:1]
C#CC[C@@H](NC(=O)Nc1cccc2ccccc12)C(N)=O NC(=O)[*:1] C#CC[C@@H](NC(=O)Nc1cccc2ccccc12)[*:1]
C#CC[C@@H](NC(=O)Nc1cccc2ccccc12)C(N)=O C#CC[*:1] NC(=O)[C@H](NC(=O)Nc1cccc2ccccc12)[*:1]
CCN(C(=O)[C@H](C)n1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)[C@H](C)n1nc(ccc1=O)-c1ccc(F)cc1)[*:1]
CCN(C(=O)[C@H](C)n1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1C Fc1ccc(cc1)[*:1] CCN(C(=O)[C@H](C)n1nc(ccc1=O)[*:1])c1ccccc1C
O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1C1CC1 Clc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@@H](N1C1CC1)[*:1]
O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1C1CC1 C1CC1[*:1] O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1[*:1]
CCc1ccc(C[NH+]2CCC(Oc3ccccc3OC)(C(=O)[O-])CC2)nc1 CCc1ccc(nc1)[*:1] COc1ccccc1OC1(CC[NH+](CC1)C[*:1])C(=O)[O-]
CCc1ccc(C[NH+]2CCC(Oc3ccccc3OC)(C(=O)[O-])CC2)nc1 COc1ccccc1O[*:1] CCc1ccc(C[NH+]2CCC(CC2)(C(=O)[O-])[*:1])nc1
CCc1ccc(C[NH+]2CCC(Oc3ccccc3OC)(C(=O)[O-])CC2)nc1 CCc1ccc(C[*:1])nc1 COc1ccccc1OC1(CC[NH+](CC1)[*:1])C(=O)[O-]
CCc1ccc(C[NH+]2CCC(Oc3ccccc3OC)(C(=O)[O-])CC2)nc1 COc1ccccc1[*:1] CCc1ccc(C[NH+]2CCC(CC2)(O[*:1])C(=O)[O-])nc1
CCc1ccc(C[NH+]2CCC(Oc3ccccc3OC)(C(=O)[O-])CC2)nc1 O=C([O-])[*:1] CCc1ccc(C[NH+]2CCC(CC2)(Oc2ccccc2OC)[*:1])nc1
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccccn1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(n1C1CCCCC1)[*:1])N/N=C/c1ccccn1
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccccn1 C1CCC(CC1)[*:1] O=C(CSc1nnc(-c2ccc(Cl)cc2)n1[*:1])N/N=C/c1ccccn1
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccccn1 c1ccc(nc1)[*:1] O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)NN=C[*:1]
CCN(Cc1ccccn1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 c1ccc(C[*:1])nc1 CCN(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[*:1]
CCN(Cc1ccccn1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1
CC(C)N1C(=O)NC(=N)[C@@]12CCCC[C@H]2C(C)(C)C CC(C)(C)[*:1] CC(C)N1C(=O)NC(=N)[C@@]12CCCC[C@@H]2[*:1]
CC(C)N1C(=O)NC(=N)[C@@]12CCCC[C@H]2C(C)(C)C CC(C)[*:1] CC(C)(C)[C@@H]1CCCC[C@@]12C(=N)NC(=O)N2[*:1]
CC(C)[C@@H](CNc1cc(C(F)(F)F)ccn1)N1CC[NH+](C)CC1 FC(F)(F)[*:1] CC(C)[C@@H](CNc1cc(ccn1)[*:1])N1CC[NH+](C)CC1
CC(C)[C@@H](CNc1cc(C(F)(F)F)ccn1)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNc1cc(ccn1)C(F)(F)F)[*:1]
O=C(NCC1CCC1)N1CCN(Cc2nnc3n2CCCCC3)CC1 C1CC(C1)[*:1] O=C(NC[*:1])N1CCN(CC1)Cc1nnc2CCCCCn21
O=C(NCC1CCC1)N1CCN(Cc2nnc3n2CCCCC3)CC1 C1CC(C1)C[*:1] O=C(N[*:1])N1CCN(CC1)Cc1nnc2CCCCCn21
Cn1[nH]c(=O)c2c(C(=O)NCC3([O-])CCC3)cc(C3CC3)nc21 [O-]C1(CCC1)[*:1] Cn1[nH]c(=O)c2c(cc(nc21)C1CC1)C(=O)NC[*:1]
Cn1[nH]c(=O)c2c(C(=O)NCC3([O-])CCC3)cc(C3CC3)nc21 [O-]C1(CCC1)C[*:1] Cn1[nH]c(=O)c2c(cc(nc21)C1CC1)C(=O)N[*:1]
Cn1[nH]c(=O)c2c(C(=O)NCC3([O-])CCC3)cc(C3CC3)nc21 C1CC1[*:1] Cn1[nH]c(=O)c2c(cc(nc21)[*:1])C(=O)NCC1([O-])CCC1
COCCn1c(C)cc(C[NH+](C(C)C)C2CCC2)c1C CC(C)[*:1] COCCn1c(C)cc(C[NH+](C2CCC2)[*:1])c1C
COCCn1c(C)cc(C[NH+](C(C)C)C2CCC2)c1C C1CC(C1)[*:1] COCCn1c(C)cc(C[NH+](C(C)C)[*:1])c1C
COCCn1c(C)cc(C[NH+](C(C)C)C2CCC2)c1C COCC[*:1] Cc1cc(C[NH+](C(C)C)C2CCC2)c(C)n1[*:1]
COCCn1c(C)cc(C[NH+](C(C)C)C2CCC2)c1C COC[*:1] Cc1cc(C[NH+](C(C)C)C2CCC2)c(C)n1C[*:1]
CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2nc(C)cs2)CC1 Cc1csc(n1)[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(CC1)[*:1]
C[C@@H](c1nnnn1-c1ccccc1)N1CCCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] C[C@@H](c1nnnn1-c1ccccc1)N1CCCN(CC1)[*:1]
C[C@@H](c1nnnn1-c1ccccc1)N1CCCN(CC(F)(F)F)CC1 c1ccc(cc1)[*:1] C[C@@H](c1nnnn1[*:1])N1CCCN(CC1)CC(F)(F)F
C[C@@H](c1nnnn1-c1ccccc1)N1CCCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] C[C@@H](c1nnnn1-c1ccccc1)N1CCCN(CC1)C[*:1]
CN(C)C(=O)c1ccccc1NC(=O)c1cccc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] CN(C)C(=O)c1ccccc1NC(=O)c1cccc(c1)O[*:1]
CN(C)C(=O)c1ccccc1NC(=O)c1cccc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] CN(C)C(=O)c1ccccc1NC(=O)c1cccc(c1)[*:1]
CN(C)C(=O)c1ccccc1NC(=O)c1cccc(OC2CCCCC2)c1 CN(C)C(=O)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)OC1CCCCC1
CC(C)C[C@@H]1CNC(=[NH2+])N1c1ccccc1Cl CC(C)[*:1] [NH2+]=C1NC[C@@H](C[*:1])N1c1ccccc1Cl
CC(C)C[C@@H]1CNC(=[NH2+])N1c1ccccc1Cl CC(C)C[*:1] [NH2+]=C1NC[C@H](N1c1ccccc1Cl)[*:1]
Cc1nc(CN2CCN(C(=O)CN3CCOCC3)CC2)nc2ccccc12 C1CN(CCO1)C[*:1] Cc1nc(CN2CCN(CC2)C(=O)[*:1])nc2ccccc12
Cc1nc(CN2CCN(C(=O)CN3CCOCC3)CC2)nc2ccccc12 C1CN(CCO1)[*:1] Cc1nc(CN2CCN(CC2)C(=O)C[*:1])nc2ccccc12
N#Cc1ccc2[nH]c(Cc3ccccc3)cc2c1 c1ccc(cc1)[*:1] N#Cc1ccc2[nH]c(cc2c1)C[*:1]
CCC1(CC)[C@@H](NC(=O)N2CCO[C@H](c3nccs3)C2)[C@H](C)[C@@H]1OC c1csc(n1)[*:1] CCC1(CC)[C@@H](NC(=O)N2CCO[C@H](C2)[*:1])[C@H](C)[C@@H]1OC
O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cn1 Clc1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])Nc1ccc(cn1)N1CCCCC1
O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cn1 C1CCN(CC1)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1ccc(cn1)[*:1]
Cc1nn(C)c(Cl)c1CS[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@@H]1[*:1] Cc1nn(C)c(Cl)c1CS[C@H](C)C(=O)N[*:1]
COc1ccc([C@@H](C)N(C)C(=O)/C=C/c2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] COc1ccc(cc1)[C@@H](C)N(C)C(=O)C=C[*:1]
CCN(c1ccccc1)c1[nH+]cnc(NC[C@@H]2CCCO2)c1N C1CO[C@@H](C1)C[*:1] CCN(c1ccccc1)c1[nH+]cnc(N[*:1])c1N
CCN(c1ccccc1)c1[nH+]cnc(NC[C@@H]2CCCO2)c1N C1CO[C@@H](C1)CN[*:1] CCN(c1ccccc1)c1[nH+]cnc(c1N)[*:1]
CCN(c1ccccc1)c1[nH+]cnc(NC[C@@H]2CCCO2)c1N C1CO[C@@H](C1)[*:1] CCN(c1ccccc1)c1[nH+]cnc(NC[*:1])c1N
CCN(c1ccccc1)c1[nH+]cnc(NC[C@@H]2CCCO2)c1N c1ccc(cc1)[*:1] CCN(c1[nH+]cnc(NC[C@@H]2CCCO2)c1N)[*:1]
CCONC(=O)c1cc(S(=O)(=O)NC)oc1C CNS(=O)(=O)[*:1] CCONC(=O)c1cc(oc1C)[*:1]
O=C1N/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1ccc(F)cc1 Fc1cccc(c1)[*:1] O=C1N/C(=C/c2ccc(o2)[*:1])C(=O)N1Cc1ccc(F)cc1
O=C1N/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1N/C(=C/c2ccc(o2)-c2cccc(F)c2)C(=O)N1C[*:1]
O=C1N/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C1N/C(=C/c2ccc(o2)-c2cccc(F)c2)C(=O)N1[*:1]
Cn1ccc(NC(=O)c2ccc3ccccc3c2O)n1 Cn1ccc(n1)[*:1] O=C(N[*:1])c1ccc2ccccc2c1O
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1 C=CC[*:1] C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)[*:1]
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1 c1coc(c1)[*:1] C=CCN(C)S(=O)(=O)c1ccc(cc1)NC(=O)N(C)[C@@H](C)[*:1]
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1 C=CCN(C)S(=O)(=O)[*:1] C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(cc1)[*:1]
CCCC[C@@H]([NH2+]CC)[C@@]1(C)CCCO1 CCC[*:1] CC[NH2+][C@H](C[*:1])[C@@]1(C)CCCO1
CCCC[C@@H]([NH2+]CC)[C@@]1(C)CCCO1 CCCC[*:1] CC[NH2+][C@@H]([C@@]1(C)CCCO1)[*:1]
CC[NH+]1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 Fc1cccc(c1)[*:1] CC[NH+]1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
CCC(CC)C(=O)NNC(=O)c1ccc(Br)s1 CCC(CC)[*:1] O=C(NNC(=O)[*:1])c1ccc(Br)s1
O=C1C[C@H](c2ccccc2)N1CN(Cc1ccc(Cl)c(Cl)c1)C1CC1 C1CC1[*:1] O=C1C[C@H](c2ccccc2)N1CN(Cc1ccc(Cl)c(Cl)c1)[*:1]
O=C1C[C@H](c2ccccc2)N1CN(Cc1ccc(Cl)c(Cl)c1)C1CC1 Clc1ccc(cc1Cl)[*:1] O=C1C[C@H](c2ccccc2)N1CN(C[*:1])C1CC1
O=C1C[C@H](c2ccccc2)N1CN(Cc1ccc(Cl)c(Cl)c1)C1CC1 c1ccc(cc1)[*:1] O=C1C[C@H](N1CN(Cc1ccc(Cl)c(Cl)c1)C1CC1)[*:1]
CCOCC[NH+](CC)Cc1nc2ccc(N)cc2o1 CCOCC[*:1] CC[NH+](Cc1nc2ccc(N)cc2o1)[*:1]
CCOCC[NH+](CC)Cc1nc2ccc(N)cc2o1 CCO[*:1] CC[NH+](CC[*:1])Cc1nc2ccc(N)cc2o1
CCOCC[NH+](CC)Cc1nc2ccc(N)cc2o1 CCOC[*:1] CC[NH+](Cc1nc2ccc(N)cc2o1)C[*:1]
CCC(CC)N1C(=O)[C@@H]2CCCCN2C(=O)[C@H]1C(C)C CCC(CC)[*:1] CC(C)[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1[*:1]
CCC(CC)N1C(=O)[C@@H]2CCCCN2C(=O)[C@H]1C(C)C CC(C)[*:1] CCC(CC)N1C(=O)[C@@H]2CCCCN2C(=O)[C@@H]1[*:1]
CCOc1ccccc1NC(=O)[C@@H](C#N)Cc1ccc(O)c(OC)c1 CCO[*:1] COc1cc(ccc1O)C[C@H](C#N)C(=O)Nc1ccccc1[*:1]
CC(C)N1CCN(C(=O)C(=O)Nc2ccc([S@@](C)=O)c(F)c2)CC1 CC(C)[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)C(=O)N1CCN(CC1)[*:1]
CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(F)c(F)c1F CCN(C)C(=O)[*:1] O=C(c1ccc(F)c(F)c1F)N1CSC[C@@H]1[*:1]
CC(=O)Nc1ccc(NC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2cc3ccc(Cl)cc3nc2o1
CC(=O)N(c1ccccc1)c1nc(CN2CC[NH+](CC(=O)NC3CC3)CC2)cs1 O=C(C[*:1])NC1CC1 CC(=O)N(c1ccccc1)c1nc(cs1)CN1CC[NH+](CC1)[*:1]
CC(=O)N(c1ccccc1)c1nc(CN2CC[NH+](CC(=O)NC3CC3)CC2)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)CN1CC[NH+](CC1)CC(=O)NC1CC1)[*:1]
CC(=O)N(c1ccccc1)c1nc(CN2CC[NH+](CC(=O)NC3CC3)CC2)cs1 C1CC1[*:1] CC(=O)N(c1ccccc1)c1nc(cs1)CN1CC[NH+](CC1)CC(=O)N[*:1]
CC(=O)N(c1ccccc1)c1nc(CN2CC[NH+](CC(=O)NC3CC3)CC2)cs1 O=C(NC1CC1)[*:1] CC(=O)N(c1ccccc1)c1nc(cs1)CN1CC[NH+](CC1)C[*:1]
CC(C)Oc1ccc(CCNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1 CC(C)[*:1] O=C(NCCc1ccc(cc1)O[*:1])N[C@@H]1c2ccccc2C[C@H]1O
CC(C)Oc1ccc(CCNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1 CC(C)O[*:1] O=C(NCCc1ccc(cc1)[*:1])N[C@@H]1c2ccccc2C[C@H]1O
CC(C)(C)OC[C@@H](O)C[NH2+][C@@H]1CCCCC1(C)C CC(C)(C)[*:1] CC1(C)CCCC[C@H]1[NH2+]C[C@H](O)CO[*:1]
CC(C)(C)OC[C@@H](O)C[NH2+][C@@H]1CCCCC1(C)C CC(C)(C)O[*:1] CC1(C)CCCC[C@H]1[NH2+]C[C@H](O)C[*:1]
CC(C)(C)OC[C@@H](O)C[NH2+][C@@H]1CCCCC1(C)C CC(C)(C)OC[*:1] CC1(C)CCCC[C@H]1[NH2+]C[C@H](O)[*:1]
CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)CC1=O CCC[*:1] Cc1c(Cl)cccc1NC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)CC1=O CCCC[*:1] Cc1c(Cl)cccc1NC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)CC1=O Cc1c(Cl)cccc1[*:1] CCCCN1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCc1nc(N2CCOCC2)c2onc(-c3ccc(C)cc3)c2n1 C1CN(CCO1)[*:1] CCc1nc(c2onc(-c3ccc(C)cc3)c2n1)[*:1]
CCc1nc(N2CCOCC2)c2onc(-c3ccc(C)cc3)c2n1 Cc1ccc(cc1)[*:1] CCc1nc(c2onc(c2n1)[*:1])N1CCOCC1
C[C@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 c1cc2OCCOc2cc1[*:1] C[C@H](NC(=O)[C@@H](C)N(S(C)(=O)=O)[*:1])c1ccc(cc1)C(C)(C)C
C[C@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)[C@@H](C)N(c1ccc2OCCOc2c1)S(C)(=O)=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)N(c1ccc2OCCOc2c1)S(C)(=O)=O)[*:1]
CC[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccc(F)cc1 C1CO[C@@H](C1)C[*:1] CC[C@H](Sc1nnnn1[*:1])c1ccc(F)cc1
CC[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccc(F)cc1 C1CO[C@@H](C1)[*:1] CC[C@H](Sc1nnnn1C[*:1])c1ccc(F)cc1
CC[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@H](Sc1nnnn1C[C@@H]1CCCO1)[*:1]
CC[C@@H](CNC(=O)c1ccc(C=O)cc1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@@H](CNC(=O)c1ccc(C=O)cc1)O[*:1]
CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)o1 CNS(=O)(=O)[*:1] O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1C(=O)c1ccc(o1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)o1 Clc1ccc(Cl)c(c1)[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)N1CCCC[C@@H]1C(=O)N[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cccc(Br)c1 C[C@@H](O)C[*:1] C[C@@H](CNC(=O)Nc1cccc(Br)c1)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cccc(Br)c1 C[C@@H](O)[*:1] C[C@@H](CNC(=O)Nc1cccc(Br)c1)C[*:1]
Cc1cc(Oc2ccc([N+](=O)[O-])cc2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[N+](=O)[O-])Oc1ccc(cc1)[*:1]
Cc1cc(Oc2ccc([N+](=O)[O-])cc2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])Oc1ccc(cc1)[N+](=O)[O-]
Cc1c(C(=O)[O-])cccc1N1CCC(C)CC1 O=C([O-])[*:1] Cc1c(cccc1[*:1])N1CCC(C)CC1
CC(C)(CO)/N=C/[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O CC(C)(CO)[*:1] C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=N[*:1])[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
N#Cc1ccc(N2CCNC(=O)C2)c(C(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1ccc(c(c1)[*:1])N1CCNC(=O)C1
O=C(Cn1ncc2ccccc2c1=O)NNc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cn1ncc2ccccc2c1=O)NN[*:1]
O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccccc1[N+](=O)[O-] Clc1ccc(Cl)c(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1[N+](=O)[O-]
O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1nc(cs1)-c1cc(Cl)ccc1Cl)c1ccccc1[*:1]
Cc1cnc2c(S(=O)(=O)NCc3ccc(NC(=O)c4ccco4)cc3)cccc2c1 c1coc(c1)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)NCc1ccc(cc1)NC(=O)[*:1]
Cc1cnc2c(S(=O)(=O)NCc3ccc(NC(=O)c4ccco4)cc3)cccc2c1 O=C(N[*:1])c1ccco1 Cc1cnc2c(cccc2c1)S(=O)(=O)NCc1ccc(cc1)[*:1]
Cc1cccc(NC(=O)COc2ccccc2C(C)C)n1 CC(C)[*:1] Cc1cccc(n1)NC(=O)COc1ccccc1[*:1]
Cc1cccc(NC(=O)COc2ccccc2C(C)C)n1 Cc1cccc(n1)[*:1] CC(C)c1ccccc1OCC(=O)N[*:1]
O=C([O-])[C@H]([C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] O=S1(=O)CC[C@H](C1)[C@@H]([C@@H]1CCOC1)[*:1]
O=C([O-])[C@H]([C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 C1C[C@H](CO1)[*:1] O=C([O-])[C@H]([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCn1c(=O)c2sc(N3CCC(C)CC3)nc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O O=C(Nc1ccc(Cl)cc1F)[*:1] CCCn1c(=O)c2sc(nc2n(C[*:1])c1=O)N1CCC(C)CC1
CCCn1c(=O)c2sc(N3CCC(C)CC3)nc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O CCC[*:1] CC1CCN(CC1)c1nc2c(s1)c(=O)n(c(=O)n2CC(=O)Nc1ccc(Cl)cc1F)[*:1]
CCCn1c(=O)c2sc(N3CCC(C)CC3)nc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O Fc1cc(Cl)ccc1[*:1] CCCn1c(=O)c2sc(nc2n(CC(=O)N[*:1])c1=O)N1CCC(C)CC1
CCCn1c(=O)c2sc(N3CCC(C)CC3)nc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O CC1CCN(CC1)[*:1] CCCn1c(=O)c2sc(nc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O)[*:1]
CC[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H]([NH2+]Cc1csc(n1)C(C)(C)C)c1nc(cs1)[*:1]
CC[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1nc(C(F)(F)F)cs1 CC(C)(C)[*:1] CC[C@@H]([NH2+]Cc1csc(n1)[*:1])c1nc(cs1)C(F)(F)F
Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(CCOC(C)C)CC1 CC(C)OCC[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(CC1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(CCOC(C)C)CC1 Cc1noc(C)c1[*:1] CC(C)OCCN1CCN(CC1)C(=O)N[C@@H](C)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(CCOC(C)C)CC1 CC(C)OC[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(CC1)C[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(CCOC(C)C)CC1 CC(C)O[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(CC1)CC[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(CCOC(C)C)CC1 CC(C)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(CCO[*:1])CC1
Cc1noc(CCCNc2ccc(C#N)cc2F)n1 Cc1noc(n1)[*:1] N#Cc1ccc(NCCC[*:1])c(F)c1
CC(C)NC(=O)c1ccccc1NC(=O)CNc1ccc(C(C)C)cc1 CC(C)NC(=O)[*:1] CC(C)c1ccc(cc1)NCC(=O)Nc1ccccc1[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)CNc1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)NC(=O)c1ccccc1NC(=O)CNc1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)CNc1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)c1ccc(cc1)NCC(=O)Nc1ccccc1C(=O)N[*:1]
CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3COCCO3)C(=O)c3ccc(C)cc3)cc2c1 CCO[*:1] Cc1ccc(cc1)C(=O)N(Cc1cc2cc(ccc2[nH]c1=O)[*:1])C[C@H]1COCCO1
CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3COCCO3)C(=O)c3ccc(C)cc3)cc2c1 Cc1ccc(cc1)[*:1] CCOc1ccc2[nH]c(=O)c(cc2c1)CN(C[C@H]1COCCO1)C(=O)[*:1]
Cc1cc(C)cc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1 Cc1ccccc1[*:1] Cc1cc(C)cc(c1)NC(=O)N1CCC[C@@H]1[*:1]
COc1cccc(CNC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)c1 Cc1ccccc1[*:1] COc1cccc(c1)CNC(=O)CCc1c(C)n(C)c2cc(nn2c1=O)[*:1]
COc1cccc(CNC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)c1 COc1cccc(c1)C[*:1] Cc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)N[*:1])c(=O)n2n1
COc1cccc(CNC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)c1 COc1cccc(c1)[*:1] Cc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)NC[*:1])c(=O)n2n1
Cc1nc2c(sc3nc(-c4ccccc4)ccc32)c(=O)n1CC(=O)Nc1ccccc1Cl c1ccc(cc1)[*:1] Cc1nc2c(sc3nc(ccc32)[*:1])c(=O)n1CC(=O)Nc1ccccc1Cl
Cc1nc2c(sc3nc(-c4ccccc4)ccc32)c(=O)n1CC(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] Cc1nc2c(sc3nc(ccc32)-c2ccccc2)c(=O)n1CC(=O)N[*:1]
Cc1nc2c(sc3nc(-c4ccccc4)ccc32)c(=O)n1CC(=O)Nc1ccccc1Cl O=C(Nc1ccccc1Cl)[*:1] Cc1nc2c(sc3nc(ccc32)-c2ccccc2)c(=O)n1C[*:1]
N#Cc1cccc(NC(=O)c2ccc(-n3cccn3)nc2)c1 c1cnn(c1)[*:1] N#Cc1cccc(c1)NC(=O)c1ccc(nc1)[*:1]
Cc1ccccc1NC(=O)NCCn1c([N+](=O)[O-])cnc1C Cc1ccccc1[*:1] Cc1ncc(n1CCNC(=O)N[*:1])[N+](=O)[O-]
Cc1ccccc1NC(=O)NCCn1c([N+](=O)[O-])cnc1C O=[N+]([O-])[*:1] Cc1ccccc1NC(=O)NCCn1c(cnc1C)[*:1]
Cn1ncnc1CCNC(=O)N1CCCCC[C@H]1c1ccco1 c1coc(c1)[*:1] Cn1ncnc1CCNC(=O)N1CCCCC[C@@H]1[*:1]
Cn1ncnc1CCNC(=O)N1CCCCC[C@H]1c1ccco1 Cn1ncnc1[*:1] O=C(NCC[*:1])N1CCCCC[C@H]1c1ccco1
Cn1ncnc1CCNC(=O)N1CCCCC[C@H]1c1ccco1 Cn1ncnc1C[*:1] O=C(NC[*:1])N1CCCCC[C@H]1c1ccco1
Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 Cc1csc(=O)n1CC[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@H](C#N)C(=O)[*:1]
Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 N#Cc1ccc(cc1)[*:1] Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c1nc(cs1)[*:1]
Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 Cc1csc(=O)n1C[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@H](C#N)C(=O)C[*:1]
Cc1csc(=O)n1CCC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 Cc1csc(=O)n1[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@H](C#N)C(=O)CC[*:1]
CCOC(=O)[C@@H]1CCCC(=O)N1c1ccc(OCC)cc1 CCO[*:1] CCOC(=O)[C@@H]1CCCC(=O)N1c1ccc(cc1)[*:1]
CCOC(=O)[C@@H]1CCCC(=O)N1c1ccc(OCC)cc1 CCOC(=O)[*:1] CCOc1ccc(cc1)N1C(=O)CCC[C@H]1[*:1]
O=C(c1ccoc1)N1CCC([NH2+]C2CCCCCC2)CC1 c1cc(co1)[*:1] O=C(N1CCC(CC1)[NH2+]C1CCCCCC1)[*:1]
O=C(c1ccoc1)N1CCC([NH2+]C2CCCCCC2)CC1 C1CCCC(CC1)[*:1] O=C(c1ccoc1)N1CCC(CC1)[NH2+][*:1]
CC(C)[C@@]1([C@H]2CCC[C@@H](C)C2)CCC[NH2+]1 CC(C)[*:1] C[C@@H]1CCC[C@@H](C1)[C@]1(CCC[NH2+]1)[*:1]
Cc1ccc(-n2cc(C)cn2)c(NC(=O)NNc2ccc(Cl)nn2)c1 Cc1cnn(c1)[*:1] Cc1ccc(c(c1)NC(=O)NNc1ccc(Cl)nn1)[*:1]
Cc1ccc(-n2cc(C)cn2)c(NC(=O)NNc2ccc(Cl)nn2)c1 Clc1ccc(nn1)[*:1] Cc1ccc(c(c1)NC(=O)NN[*:1])-n1cc(C)cn1
Cc1ccc(CCC(=O)N[C@@H]2CCCC[C@H]2C)o1 Cc1ccc(o1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CC[*:1]
CN(Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CN(Cc1ccc(F)c(F)c1)c1ccc(cn1)[*:1]
CC(C)N(C(=O)c1c(C(=O)[O-])cnn1C)C(C)C O=C([O-])[*:1] CC(C)N(C(=O)c1c(cnn1C)[*:1])C(C)C
CC(C)N(C(=O)c1c(C(=O)[O-])cnn1C)C(C)C CC(C)[*:1] CC(C)N(C(=O)c1c(cnn1C)C(=O)[O-])[*:1]
CCn1cc(C(=O)N(C)C[C@H]2CCCO2)cn1 C1CO[C@H](C1)[*:1] CCn1cc(cn1)C(=O)N(C)C[*:1]
COc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F Fc1ccccc1[*:1] COc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)[*:1]
COc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F C1CCC(C1)[*:1] COc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)N[*:1])c1ccccc1F
COc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F COc1ccccc1[*:1] O=C(NC1CCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccco1)[*:1]
COc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F c1coc(c1)[*:1] COc1ccccc1N(C(=O)[*:1])[C@H](C(=O)NC1CCCC1)c1ccccc1F
COc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F O=C(NC1CCCC1)[*:1] COc1ccccc1N(C(=O)c1ccco1)[C@H](c1ccccc1F)[*:1]
COC(=O)c1occc1CSc1ccc(Cl)cc1N COC(=O)[*:1] Nc1cc(Cl)ccc1SCc1ccoc1[*:1]
COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)CSc1nc2ccccc2n1[*:1]
COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c1 COc1ccc(OC)c(c1)[*:1] O=C(CSc1nc2ccccc2n1-c1ccccc1)N[*:1]
CCOC(=O)[C@@](O)(NC(=O)c1cccnc1)C(F)(F)F c1cncc(c1)[*:1] CCOC(=O)[C@@](O)(NC(=O)[*:1])C(F)(F)F
CCOC(=O)[C@@](O)(NC(=O)c1cccnc1)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@@](O)(NC(=O)c1cccnc1)[*:1]
CCOC(=O)[C@@](O)(NC(=O)c1cccnc1)C(F)(F)F CCOC(=O)[*:1] O=C(N[C@](O)(C(F)(F)F)[*:1])c1cccnc1
C=CCCO[C@@H](C)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 C=CC[*:1] C[C@H](OC[*:1])C(=O)N1CC2(CCCC2)c2cc3OCCOc3cc2[C@H]1C
C=CCCO[C@@H](C)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 C=CCCO[*:1] C[C@@H](C(=O)N1CC2(CCCC2)c2cc3OCCOc3cc2[C@H]1C)[*:1]
C=CCCO[C@@H](C)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 C=CCC[*:1] C[C@H](O[*:1])C(=O)N1CC2(CCCC2)c2cc3OCCOc3cc2[C@H]1C
CSc1ccc(CN[C@H](C)c2cnc(-c3ccncc3)nc2C)cc1 c1cc(ccn1)[*:1] CSc1ccc(cc1)CN[C@H](C)c1cnc(nc1C)[*:1]
CSc1ccc(CN[C@H](C)c2cnc(-c3ccncc3)nc2C)cc1 CSc1ccc(cc1)[*:1] Cc1nc(ncc1[C@@H](C)NC[*:1])-c1ccncc1
Cc1n[nH]c(C)c1CCOC(=O)[C@H]1CCc2cn[nH]c2C1 Cc1n[nH]c(C)c1[*:1] O=C(OCC[*:1])[C@H]1CCc2cn[nH]c2C1
CN(Cc1ccccc1F)C(=O)CNC(=O)c1cc2ccccc2[nH]1 Fc1ccccc1C[*:1] CN(C(=O)CNC(=O)c1cc2ccccc2[nH]1)[*:1]
CN(Cc1ccccc1F)C(=O)CNC(=O)c1cc2ccccc2[nH]1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)CNC(=O)c1cc2ccccc2[nH]1
Cc1cscc1C(=O)NC[C@@](C)(O)C(=O)[O-] O=C([O-])[*:1] Cc1cscc1C(=O)NC[C@@](C)(O)[*:1]
O=C1CCCCCN1CCCCCS SCC[*:1] O=C1CCCCCN1CCC[*:1]
O=C1CCCCCN1CCCCCS SCCC[*:1] O=C1CCCCCN1CC[*:1]
CCN(CC)C(=O)C[NH+]1CCCc2cc(OC)ccc2C1 CCN(CC)C(=O)[*:1] COc1ccc2C[NH+](CCCc2c1)C[*:1]
CC(C)(C)OC(=O)N1CCC(OC(=O)Cc2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)C[*:1]
CC(C)(C)OC(=O)N1CCC(OC(=O)Cc2ccc(F)cc2F)CC1 CC(C)(C)[*:1] O=C(Cc1ccc(F)cc1F)OC1CCN(CC1)C(=O)O[*:1]
Cc1nncn1CCNC(=O)c1cc2cccc(Cl)c2o1 Cc1nncn1[*:1] O=C(NCC[*:1])c1cc2cccc(Cl)c2o1
Cc1nncn1CCNC(=O)c1cc2cccc(Cl)c2o1 Cc1nncn1C[*:1] O=C(NC[*:1])c1cc2cccc(Cl)c2o1
CO[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)c1ccccc1 CO[C@@H](c1ccccc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
CO[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)c1cccc(c1)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)[*:1]
CO[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)c1ccccc1 CO[C@@H](C[*:1])c1ccccc1 C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
COC(=O)COc1cc(NC(=O)/C=C(/C)C(C)(C)C)c(Cl)cc1C COC(=O)C[*:1] C/C(=C/C(=O)Nc1cc(O[*:1])c(C)cc1Cl)C(C)(C)C
COC(=O)COc1cc(NC(=O)/C=C(/C)C(C)(C)C)c(Cl)cc1C CC(C)(C)[*:1] COC(=O)COc1cc(NC(=O)C=C(C)[*:1])c(Cl)cc1C
COC(=O)COc1cc(NC(=O)/C=C(/C)C(C)(C)C)c(Cl)cc1C COC(=O)[*:1] C/C(=C/C(=O)Nc1cc(OC[*:1])c(C)cc1Cl)C(C)(C)C
COC(=O)COc1cc(NC(=O)/C=C(/C)C(C)(C)C)c(Cl)cc1C COC(=O)CO[*:1] C/C(=C/C(=O)Nc1cc(c(C)cc1Cl)[*:1])C(C)(C)C
COC(=O)COc1cc(NC(=O)/C=C(/C)C(C)(C)C)c(Cl)cc1C CC(=C[*:1])C(C)(C)C COC(=O)COc1cc(NC(=O)[*:1])c(Cl)cc1C
c1ccc(-c2cc(CSc3ncnc4sccc34)on2)cc1 c1ccc(cc1)[*:1] c1nc(SCc2cc(no2)[*:1])c2ccsc2n1
C[C@H](NC(=O)CC1CCCCC1)C(=O)NCc1ccc([S@](C)=O)cc1 C1CCC(CC1)C[*:1] C[C@H](NC(=O)[*:1])C(=O)NCc1ccc(cc1)[S@](C)=O
C[C@H](NC(=O)CC1CCCCC1)C(=O)NCc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@H](NC(=O)CC1CCCCC1)C(=O)NCc1ccc(cc1)[*:1]
C[C@H](NC(=O)CC1CCCCC1)C(=O)NCc1ccc([S@](C)=O)cc1 C1CCC(CC1)[*:1] C[C@H](NC(=O)C[*:1])C(=O)NCc1ccc(cc1)[S@](C)=O
Cc1ccccc1C[C@@H](C)NC(=O)CN(C)CC#N N#CC[*:1] Cc1ccccc1C[C@@H](C)NC(=O)CN(C)[*:1]
Cc1ccccc1C[C@@H](C)NC(=O)CN(C)CC#N CN(CC#N)C[*:1] Cc1ccccc1C[C@@H](C)NC(=O)[*:1]
Cc1ccccc1C[C@@H](C)NC(=O)CN(C)CC#N CN(CC#N)[*:1] Cc1ccccc1C[C@@H](C)NC(=O)C[*:1]
COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)C1CCCCC1 COc1ccccc1[*:1] Cc1ccc2cc(CN(C[*:1])C(=O)C3CCCCC3)c(=O)[nH]c2c1C
COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)C1CCCCC1 COc1ccccc1C[*:1] Cc1ccc2cc(CN(C(=O)C3CCCCC3)[*:1])c(=O)[nH]c2c1C
COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)C1CCCCC1 C1CCC(CC1)[*:1] COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)[*:1]
O=C([O-])Cc1cncnc1N1CCC2(CC1)OCCC[C@@H]2O O=C([O-])[*:1] O[C@H]1CCCOC12CCN(CC2)c1ncncc1C[*:1]
O=C([O-])Cc1cncnc1N1CCC2(CC1)OCCC[C@@H]2O O=C([O-])C[*:1] O[C@H]1CCCOC12CCN(CC2)c1ncncc1[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)c1ccncc1 Cc1n[nH]c(C)c1[*:1] C[C@@H](NC(=O)N1CCC[C@@H]1[*:1])c1ccncc1
CCS(=O)(=O)NCCN1CCCC2(C1)OCCO2 CCS(=O)(=O)N[*:1] C1CN(CC[*:1])CC2(C1)OCCO2
COc1cc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2c1OCO2 c1cc2OCOc2cc1[*:1] COc1cc(cc2OCOc12)C[NH+]1CCN(CC1)C[*:1]
C[NH+](CC/[NH+]=C(\N)NC1CCCCCC1)C1CCCC1 C1CCC(C1)[*:1] C[NH+](CC/[NH+]=C(\N)NC1CCCCCC1)[*:1]
C[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](SCc1ccc(cc1)[N+](=O)[O-])c1cccc(c1)[*:1]
C[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](SCc1ccc(cc1)[*:1])c1cccc(c1)[N+](=O)[O-]
CS(=O)(=O)N1CCc2cc(C(=O)Oc3cccc(F)c3)ccc21 Fc1cccc(c1)[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)O[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 C[C@@H](C(=O)N1CCCC1)[*:1] O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCN(CC1)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 O=C(N1CCCC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)[C@H]1C[C@H]1[*:1]
O=C(N[C@H]1CCCNC1=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] O=C(N[C@H]1CCCNC1=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
O=C(N[C@H]1CCCNC1=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] O=C(N[C@H]1CCCNC1=O)N[C@@H](c1ncon1)[*:1]
O=C(N[C@H]1CCCNC1=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 O=C1NCCC[C@@H]1[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N[*:1]
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1ccncc1 c1cc(ccn1)[*:1] COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1[*:1]
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1ccncc1 COc1ccc(F)cc1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccncc2)N1CC[NH+]1CCCC1
N#CCCN(CC(=O)NC1(C#N)CCCCC1)Cc1ccco1 c1coc(c1)C[*:1] N#CCCN(CC(=O)NC1(C#N)CCCCC1)[*:1]
N#CCCN(CC(=O)NC1(C#N)CCCCC1)Cc1ccco1 N#CC[*:1] N#CC1(CCCCC1)NC(=O)CN(Cc1ccco1)C[*:1]
N#CCCN(CC(=O)NC1(C#N)CCCCC1)Cc1ccco1 N#CCC[*:1] N#CC1(CCCCC1)NC(=O)CN(Cc1ccco1)[*:1]
N#CCCN(CC(=O)NC1(C#N)CCCCC1)Cc1ccco1 c1coc(c1)[*:1] N#CCCN(CC(=O)NC1(C#N)CCCCC1)C[*:1]
CN(CCO)C(=O)[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 CN(CCO)C(=O)[*:1] CC(C)(C)c1cc(=O)n2C[C@@H](CSc2n1)[*:1]
CN(CCO)C(=O)[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 OCC[*:1] CN(C(=O)[C@@H]1CSc2nc(cc(=O)n2C1)C(C)(C)C)[*:1]
CN(CCO)C(=O)[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 CC(C)(C)[*:1] CN(CCO)C(=O)[C@@H]1CSc2nc(cc(=O)n2C1)[*:1]
CC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3nc(C(C)C)c4c(c3C#N)CCC4)CC2)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)NC(=O)C[NH+]1CCN(CC1)c1nc(c2CCCc2c1C#N)[*:1]
CC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3nc(C(C)C)c4c(c3C#N)CCC4)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] CC(C)c1nc(c(C#N)c2CCCc12)N1CC[NH+](CC1)CC(=O)N[*:1]
CC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3nc(C(C)C)c4c(c3C#N)CCC4)CC2)cc1 CC(=O)[*:1] CC(C)c1nc(c(C#N)c2CCCc12)N1CC[NH+](CC1)CC(=O)Nc1ccc(cc1)[*:1]
CCc1cc(CN(C)Cc2nc(-c3sccc3C)oc2C)on1 Cc1ccsc1[*:1] CCc1cc(CN(C)Cc2nc(oc2C)[*:1])on1
CCc1cc(CN(C)Cc2nc(-c3sccc3C)oc2C)on1 CCc1cc(on1)[*:1] Cc1ccsc1-c1nc(CN(C)C[*:1])c(C)o1
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1cn(nc1-c1ccccc1)[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1cn(nc1[*:1])-c1ccccc1
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 c1csc(c1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@@H]1c1cn(nc1-c1ccccc1)-c1ccccc1)[*:1]
O=C(NCCc1cccc(-c2ccccc2)c1)c1cc2c(s1)C[S@](=O)C2 c1ccc(cc1)[*:1] O=C(NCCc1cccc(c1)[*:1])c1cc2C[S@@](=O)Cc2s1
Cc1nc(NC(=O)Cc2ccsc2)sc1C c1cc(cs1)[*:1] Cc1nc(NC(=O)C[*:1])sc1C
COC(=O)c1ccc(C(=O)OC)c2nc3cc([N+](=O)[O-])ccc3nc12 COC(=O)[*:1] COC(=O)c1ccc(c2nc3ccc(cc3nc12)[N+](=O)[O-])[*:1]
COC(=O)c1ccc(C(=O)OC)c2nc3cc([N+](=O)[O-])ccc3nc12 COC(=O)[*:1] COC(=O)c1ccc(c2nc3cc(ccc3nc12)[N+](=O)[O-])[*:1]
COC(=O)c1ccc(C(=O)OC)c2nc3cc([N+](=O)[O-])ccc3nc12 O=[N+]([O-])[*:1] COC(=O)c1ccc(C(=O)OC)c2nc3cc(ccc3nc12)[*:1]
Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1ccnc(c1)N1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1[*:1]
Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)c1 Cc1ccnc(c1)[*:1] Cc1ccc2oc3C(=O)N([C@@H](c4ccc(F)cc4)c3c(=O)c2c1)[*:1]
O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1COc2ccccc2O1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(F)cc1[*:1])NC[C@@H]1COc2ccccc2O1
O=C(Nc1ccccc1Cc1ccccc1)C(=O)N1CC[C@H](O)C1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1[*:1])C(=O)N1CC[C@H](O)C1
O=C(Nc1ccccc1Cc1ccccc1)C(=O)N1CC[C@H](O)C1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C[*:1])C(=O)N1CC[C@H](O)C1
FC(F)(F)COc1cncnc1 FC(F)(F)[*:1] c1ncc(cn1)OC[*:1]
COCC[NH2+][C@]1(CO)CC(C)(C)OC1(C)C COCC[*:1] CC1(C)C[C@@](CO)([NH2+][*:1])C(C)(C)O1
COCC[NH2+][C@]1(CO)CC(C)(C)OC1(C)C COC[*:1] CC1(C)C[C@@](CO)([NH2+]C[*:1])C(C)(C)O1
O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(CC1)[*:1]
O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(CC1)C[*:1]
CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)NCC3CCCCC3)n2)cc1 C1CCC(CC1)C[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(n1)[C@@H](C)C(=O)N[*:1]
CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)NCC3CCCCC3)n2)cc1 CCO[*:1] C[C@@H](C(=O)NCC1CCCCC1)n1nc(ccc1=O)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)NCC3CCCCC3)n2)cc1 CCOc1ccc(cc1)[*:1] C[C@@H](C(=O)NCC1CCCCC1)n1nc(ccc1=O)[*:1]
CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)NCC3CCCCC3)n2)cc1 C1CCC(CC1)[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(n1)[C@@H](C)C(=O)NC[*:1]
CN(c1ccc(S(=O)(=O)N(C)C)cc1)C1CCC([NH3+])CC1 CN(C)S(=O)(=O)[*:1] CN(c1ccc(cc1)[*:1])C1CCC([NH3+])CC1
C[C@H]1CN(CC(=O)N[C@@H](C)c2ccc(F)cc2)[C@H](C)CO1 Fc1ccc(cc1)[*:1] C[C@H]1CN(CC(=O)N[C@@H](C)[*:1])[C@H](C)CO1
CC(C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1ccc(F)cc1Cl NC(=O)N[*:1] CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1Cl)[*:1]
CC(C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1ccc(F)cc1Cl CC(C)[*:1] C[C@H](NC(=O)[C@H](NC(N)=O)[*:1])c1ccc(F)cc1Cl
Cn1cc([N+](=O)[O-])c(=O)n(CC(C)(C)C(=O)NN)c1=O O=[N+]([O-])[*:1] Cn1cc(c(=O)n(CC(C)(C)C(=O)NN)c1=O)[*:1]
Cn1cc([N+](=O)[O-])c(=O)n(CC(C)(C)C(=O)NN)c1=O NNC(=O)[*:1] Cn1cc(c(=O)n(CC(C)(C)[*:1])c1=O)[N+](=O)[O-]
Cc1cc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)n1C Cc1cc(c(C)n1C)[*:1] O=C(OCC(=O)[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
Cc1cc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)n1C c1csc(c1)[*:1] Cc1cc(C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)[*:1])c(C)n1C
CC[C@H](C)Sc1nnc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)s1 c1csc(c1)[*:1] CC[C@H](C)Sc1nnc(NC(=O)C2CCN(CC2)C(=O)[*:1])s1
CCOc1ccc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)cc1 CCOc1ccc(cc1)[*:1] COc1cc2ccccc2cc1C(=O)NC(=S)N[*:1]
CCOc1ccc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)cc1 CCO[*:1] COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(cc1)[*:1]
COc1ccc(-n2c(SCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)nc3ccccc32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-n1c(nc2ccccc21)SCC(=O)Nc1c(C)nn(c1C)[*:1]
COc1ccc(-n2c(SCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)nc3ccccc32)cc1 COc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nc2ccccc2n1[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(=O)[nH]c2ccccc12 CC(C)(C)[*:1] COc1ccc(cc1NC(=O)c1cc(=O)[nH]c2ccccc12)[*:1]
C[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] C[C@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
O=C([O-])Cc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1 O=C([O-])[*:1] O=S(=O)(NC1CCC(O)CC1)c1ccc(cc1)C[*:1]
O=C([O-])Cc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1 OC1CCC(CC1)[*:1] O=C([O-])Cc1ccc(cc1)S(=O)(=O)N[*:1]
O=C([O-])Cc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1 O=C([O-])C[*:1] O=S(=O)(NC1CCC(O)CC1)c1ccc(cc1)[*:1]
Cc1nonc1NC(=O)c1cnn(-c2ccncc2)c1C Cc1nonc1[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N[*:1]
Cc1nonc1NC(=O)c1cnn(-c2ccncc2)c1C c1cc(ccn1)[*:1] Cc1nonc1NC(=O)c1cnn(c1C)[*:1]
NC(=S)N/N=C/c1cc(Br)c(N2CCCC2)o1 C1CCN(C1)[*:1] NC(=S)N/N=C/c1cc(Br)c(o1)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)CC2CCC2)CC1 C1CC(C1)[*:1] CCC(CC)C(=O)N1CCC(CC1)NC(=O)C[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)CC2CCC2)CC1 C1CC(C1)C[*:1] CCC(CC)C(=O)N1CCC(CC1)NC(=O)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)CC2CCC2)CC1 CCC(CC)[*:1] O=C(CC1CCC1)NC1CCN(CC1)C(=O)[*:1]
Cc1ncn(C[C@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c1C Cc1ncn(c1C)[*:1] C[C@@H](C[*:1])[NH2+]C[C@H]1CCN(C1)c1ccc(F)cc1
Cc1ncn(C[C@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c1C Fc1ccc(cc1)[*:1] Cc1ncn(C[C@H](C)[NH2+]C[C@H]2CCN(C2)[*:1])c1C
Cc1ncn(C[C@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c1C Cc1ncn(C[*:1])c1C C[C@H]([NH2+]C[C@H]1CCN(C1)c1ccc(F)cc1)[*:1]
C[C@H](CNc1ccccc1Cl)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNc1ccccc1Cl)O[*:1]
Cc1ccc(NC2=NC(=O)[C@@H](Cc3ccccc3Cl)N=N2)cc1C Clc1ccccc1[*:1] Cc1ccc(cc1C)NC1N=N[C@H](C[*:1])C(=O)N=1
Cc1ccc(NC2=NC(=O)[C@@H](Cc3ccccc3Cl)N=N2)cc1C Clc1ccccc1C[*:1] Cc1ccc(cc1C)NC1N=N[C@H](C(=O)N=1)[*:1]
Cc1ccc(NC2=NC(=O)[C@@H](Cc3ccccc3Cl)N=N2)cc1C Cc1ccc(cc1C)[*:1] O=C1N=C(N=N[C@@H]1Cc1ccccc1Cl)N[*:1]
CCOC(=O)c1ccc(CNc2ccccc2N2CCCC2)o1 C1CCN(C1)[*:1] CCOC(=O)c1ccc(CNc2ccccc2[*:1])o1
CCOC(=O)c1ccc(CNc2ccccc2N2CCCC2)o1 CCOC(=O)[*:1] c1ccc(c(c1)NCc1ccc(o1)[*:1])N1CCCC1
C[C@H]([NH2+]Cc1cccc2cccnc12)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H]([NH2+]Cc1cccc2cccnc12)c1ccc(cc1)[*:1]
COC[C@@H](C)Cn1c(N)nc2cc(C)cnc21 COC[C@@H](C)[*:1] Cc1cnc2c(c1)nc(N)n2C[*:1]
COC[C@@H](C)Cn1c(N)nc2cc(C)cnc21 COC[*:1] Cc1cnc2c(c1)nc(N)n2C[C@H](C)[*:1]
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C/C([O-])=N/c1ncn[nH]1 Clc1ccc(cc1)[*:1] Cc1nn(c(C)c1C/C([O-])=N/c1ncn[nH]1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C/C([O-])=N/c1ncn[nH]1 c1n[nH]c(n1)[*:1] Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC([O-])=N[*:1]
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 Brc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1[*:1])c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(Br)cc2)N1c1nccs1
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 c1csc(n1)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc(Br)cc1)[*:1])c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] O=C1C([O-])=C([C@@H](c2ccc(Br)cc2)N1c1nccs1)[*:1]
CCn1c(SCc2ccccc2F)nnc1-c1ccccc1 Fc1ccccc1[*:1] CCn1c(nnc1-c1ccccc1)SC[*:1]
CCn1c(SCc2ccccc2F)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCc1ccccc1F
O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N[C@H]1CCCc2ccccc21 Clc1ccc(cc1)[*:1] O=C(Cn1c(=O)c(=O)n(C[*:1])c2ccccc21)N[C@H]1CCCc2ccccc21
O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N[C@H]1CCCc2ccccc21 Clc1ccc(cc1)C[*:1] O=C(Cn1c(=O)c(=O)n(c2ccccc21)[*:1])N[C@H]1CCCc2ccccc21
CCOCC1CCN(c2[nH+]ccn(CC)c2=O)CC1 CCOC[*:1] CCn1cc[nH+]c(c1=O)N1CCC(CC1)[*:1]
CCOCC1CCN(c2[nH+]ccn(CC)c2=O)CC1 CCO[*:1] CCn1cc[nH+]c(c1=O)N1CCC(CC1)C[*:1]
Cc1c(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 c1cc2OCOc2cc1[*:1] Cc1c(oc2ccccc12)C(=O)OCC(=O)Nc1ccccc1C(=O)N[*:1]
Cc1c(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 Cc1c(oc2ccccc12)[*:1] O=C(COC(=O)[*:1])Nc1ccccc1C(=O)Nc1ccc2OCOc2c1
CC(C)n1cc([C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)cn1 C[C@@H](O)C[*:1] CC(C)n1cc(cn1)[C@@H](C)[NH2+]CC(C)(C)[*:1]
CC(C)n1cc([C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)cn1 CC(C)[*:1] C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cnn(c1)[*:1]
CC(C)n1cc([C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)cn1 C[C@@H](O)[*:1] CC(C)n1cc(cn1)[C@@H](C)[NH2+]CC(C)(C)C[*:1]
CCc1ncc(C[NH+](C)Cc2ccc(C(=O)OC)s2)s1 COC(=O)[*:1] CCc1ncc(C[NH+](C)Cc2ccc(s2)[*:1])s1
COc1cccc(C[C@H](C)N[C@@H](C)c2cccs2)c1 c1csc(c1)[*:1] COc1cccc(c1)C[C@H](C)N[C@@H](C)[*:1]
Clc1ccc(Cl)c(-c2nnc(-c3cccnc3)o2)c1 c1cncc(c1)[*:1] Clc1ccc(Cl)c(c1)-c1nnc(o1)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc([C@H]3COc4ccccc4O3)o2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)[C@H](C)Sc2nnc(o2)[C@H]2COc3ccccc3O2)c(C)c1[*:1]
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc([C@H]3COc4ccccc4O3)o2)c1C c1ccc2O[C@H](COc2c1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(o2)[*:1])c1C
COc1ccc(S(=O)(=O)N(Cc2ccsc2)CC(F)(F)F)c(C)c1 FC(F)(F)C[*:1] COc1ccc(c(C)c1)S(=O)(=O)N(Cc1ccsc1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccsc2)CC(F)(F)F)c(C)c1 c1cc(cs1)C[*:1] COc1ccc(c(C)c1)S(=O)(=O)N(CC(F)(F)F)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccsc2)CC(F)(F)F)c(C)c1 FC(F)(F)[*:1] COc1ccc(c(C)c1)S(=O)(=O)N(Cc1ccsc1)C[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccsc2)CC(F)(F)F)c(C)c1 c1cc(cs1)[*:1] COc1ccc(c(C)c1)S(=O)(=O)N(CC(F)(F)F)C[*:1]
C[C@H]1CCCN(C(=O)Nc2ccc(OC(F)F)cc2)[C@@H]1CO FC(F)O[*:1] C[C@H]1CCCN(C(=O)Nc2ccc(cc2)[*:1])[C@@H]1CO
C[C@H]1CCCN(C(=O)Nc2ccc(OC(F)F)cc2)[C@@H]1CO FC(F)[*:1] C[C@H]1CCCN(C(=O)Nc2ccc(cc2)O[*:1])[C@@H]1CO
CCCC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CCCC(=O)NC[C@H]1CCCN(C1)C(=O)N[C@@H]1C[C@H]1[*:1]
CCCC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)C1 CCC[*:1] O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@H](CNC(=O)[*:1])C1
CCCC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)C1 CCCC(=O)NC[*:1] O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@@H](C1)[*:1]
CCCC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)C1 CCCC(=O)N[*:1] O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@@H](C1)C[*:1]
O=S(=O)(NCC1(c2ccccc2)CC1)c1ccc2c(c1)CCC2 c1ccc(cc1)[*:1] O=S(=O)(NCC1(CC1)[*:1])c1ccc2CCCc2c1
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C1CC1 C1CC1[*:1] C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[*:1]
C[C@@H](c1ccco1)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] C[C@@H](c1ccco1)N(C)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H](c1ccco1)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 c1coc(c1)[*:1] C[C@@H](N(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1)[*:1]
CCOc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(C)c1 Fc1ccc(cc1)[*:1] CCOc1ccc(NC(=O)N2CCO[C@@H](C2)[*:1])c(C)c1
CCOc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)N1CCO[C@H](C1)c1ccc(F)cc1)[*:1]
CCNc1ncc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)cn1 CCN[*:1] CN(Cc1nc(no1)-c1cccnc1)C(=O)c1cnc(nc1)[*:1]
CCNc1ncc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)cn1 c1cncc(c1)[*:1] CCNc1ncc(cn1)C(=O)N(C)Cc1nc(no1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)n2c(C[NH+]3CCOCC3)nc3ccccc32)cc1 CC(C)(C)[*:1] O=S(=O)(c1ccc(cc1)[*:1])n1c(C[NH+]2CCOCC2)nc2ccccc21
C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 NC(=O)C[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C1CCCCC1)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 NC(=O)[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C[*:1])C1CCCCC1
C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 CC(C)(C)C(=O)N[*:1] C[C@H](C(=O)N[C@@H](CC(N)=O)C1CCCCC1)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 CC(C)(C)[*:1] C[C@H](NC(=O)[*:1])C(=O)N[C@@H](CC(N)=O)C1CCCCC1
O=C(CC1CCCC1)Nc1ccc2c(c1)C(=[N+]1CCOCC1)Nc1cc(Cl)ccc1O2 C1CCC(C1)C[*:1] O=C(Nc1ccc2Oc3ccc(Cl)cc3NC(c2c1)=[N+]1CCOCC1)[*:1]
O=C(CC1CCCC1)Nc1ccc2c(c1)C(=[N+]1CCOCC1)Nc1cc(Cl)ccc1O2 O=C(CC1CCCC1)N[*:1] Clc1ccc2Oc3ccc(cc3C(Nc2c1)=[N+]1CCOCC1)[*:1]
O=C(CC1CCCC1)Nc1ccc2c(c1)C(=[N+]1CCOCC1)Nc1cc(Cl)ccc1O2 C1CCC(C1)[*:1] O=C(C[*:1])Nc1ccc2Oc3ccc(Cl)cc3NC(c2c1)=[N+]1CCOCC1
CC(C)(C)CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccc2c1OCO2 O=C([O-])[*:1] CC(C)(C)CN1C(=O)CC[C@@H]([C@H]1c1cccc2OCOc21)[*:1]
CC(C)(C)CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccc2c1OCO2 CC(C)(C)C[*:1] O=C([O-])[C@@H]1CCC(=O)N([C@@H]1c1cccc2OCOc21)[*:1]
CC(C)(C)CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccc2c1OCO2 CC(C)(C)[*:1] O=C([O-])[C@@H]1CCC(=O)N(C[*:1])[C@@H]1c1cccc2OCOc21
COc1cccc(OCC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)OCC(=O)Nc1cc(C)nn1-c1nc(cs1)[*:1]
COc1cccc(OCC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)c1 COc1cccc(c1)OC[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc(cs1)-c1ccccc1
COc1cccc(OCC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)c1 COc1cccc(c1)[*:1] Cc1cc(NC(=O)CO[*:1])n(n1)-c1nc(cs1)-c1ccccc1
COc1cccc(OCC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)c1 COc1cccc(c1)O[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1nc(cs1)-c1ccccc1
Cc1cnc(C)c(N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)n1 O=C([O-])[*:1] Cc1cnc(C)c(n1)N1CCC[C@@](CC2CC2)(C1)[*:1]
Cc1cnc(C)c(N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)n1 C1CC1C[*:1] Cc1cnc(C)c(n1)N1CCC[C@](C1)(C(=O)[O-])[*:1]
Cc1cnc(C)c(N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)n1 C1CC1[*:1] Cc1cnc(C)c(n1)N1CCC[C@@](C1)(C[*:1])C(=O)[O-]
O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])c1ccccc1[N+](=O)[O-]
O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] O=C(Nc1ccc2oc(nc2c1)-c1ccc(F)cc1)[*:1]
O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc2oc(nc2c1)-c1ccc(F)cc1)c1ccccc1[*:1]
CC(C)c1nc(CNC(=O)c2cnn3cc(Br)cnc23)cs1 CC(C)[*:1] O=C(NCc1csc(n1)[*:1])c1cnn2cc(Br)cnc12
CS[C@@H]1CC[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)C1 O=C1CCCN1[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)COc1ccc(cc1)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 CCS(=O)(=O)C[*:1] C[C@H](NC(=O)N[C@@H]1CCN(C1)c1cccc(Cl)c1)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 CCS(=O)(=O)C[C@H](C)[*:1] O=C(N[C@@H]1CCN(C1)c1cccc(Cl)c1)N[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H]1CCN(C1)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 CCS(=O)(=O)[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H]1CCN(C1)c1cccc(Cl)c1
CCOc1ccccc1N[C@@H](C)[C@@H](C)C(=O)OC CCO[*:1] COC(=O)[C@H](C)[C@H](C)Nc1ccccc1[*:1]
CCOc1ccccc1N[C@@H](C)[C@@H](C)C(=O)OC COC(=O)[*:1] CCOc1ccccc1N[C@@H](C)[C@@H](C)[*:1]
CCOc1ccccc1N[C@@H](C)[C@@H](C)C(=O)OC COC(=O)[C@H](C)[*:1] CCOc1ccccc1N[C@@H](C)[*:1]
COC(=O)c1c(C)oc(N)c1C#N COC(=O)[*:1] Cc1oc(N)c(C#N)c1[*:1]
O=S1(=O)CCCN1CC[NH2+][C@@H](Cc1ccccn1)C1CC1 C1CC1[*:1] O=S1(=O)CCCN1CC[NH2+][C@@H](Cc1ccccn1)[*:1]
O=S1(=O)CCCN1CC[NH2+][C@@H](Cc1ccccn1)C1CC1 c1ccc(nc1)[*:1] O=S1(=O)CCCN1CC[NH2+][C@@H](C[*:1])C1CC1
O=S1(=O)CCCN1CC[NH2+][C@@H](Cc1ccccn1)C1CC1 O=S1(=O)CCCN1[*:1] c1ccc(C[C@H]([NH2+]CC[*:1])C2CC2)nc1
O=S1(=O)CCCN1CC[NH2+][C@@H](Cc1ccccn1)C1CC1 c1ccc(C[*:1])nc1 O=S1(=O)CCCN1CC[NH2+][C@@H](C1CC1)[*:1]
Cc1c(CC(=O)N[C@H](CO)c2ccccc2F)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])CC(=O)N[C@H](CO)c1ccccc1F
Cc1c(CC(=O)N[C@H](CO)c2ccccc2F)cccc1[N+](=O)[O-] Fc1ccccc1[*:1] Cc1c(cccc1[N+](=O)[O-])CC(=O)N[C@H](CO)[*:1]
O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)c1nc(no1)-c1ccc2OCOc2c1
O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 c1cc2OCOc2cc1[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CCC(CC1)c1nc(no1)[*:1]
c1ccc(CC[NH2+]C[C@@H]2Cc3ccccc3S2)cc1 c1ccc(cc1)[*:1] c1ccc2S[C@H](C[NH2+]CC[*:1])Cc2c1
COC(=O)c1sc(SCCN2CCOCC2)nc1Cl COC(=O)[*:1] Clc1nc(SCCN2CCOCC2)sc1[*:1]
COC(=O)c1sc(SCCN2CCOCC2)nc1Cl C1CN(CCO1)[*:1] COC(=O)c1sc(nc1Cl)SCC[*:1]
Cc1ccc(-c2nn(CN(C)CCS(C)(=O)=O)c(=S)o2)c(C)c1 CS(=O)(=O)CC[*:1] Cc1ccc(-c2nn(CN(C)[*:1])c(=S)o2)c(C)c1
Cc1ccc(-c2nn(CN(C)CCS(C)(=O)=O)c(=S)o2)c(C)c1 CS(=O)(=O)[*:1] Cc1ccc(-c2nn(CN(C)CC[*:1])c(=S)o2)c(C)c1
Cc1ccc(-c2nn(CN(C)CCS(C)(=O)=O)c(=S)o2)c(C)c1 CS(=O)(=O)C[*:1] Cc1ccc(-c2nn(CN(C)C[*:1])c(=S)o2)c(C)c1
COc1ccc(S(=O)(=O)N(C2CC2)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)[*:1])S(=O)(=O)N(C1CC1)[C@@H](C)C1CC1
COc1ccc(S(=O)(=O)N(C2CC2)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N(C1CC1)[C@@H](C)[*:1]
COc1ccc(S(=O)(=O)N(C2CC2)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N([C@@H](C)C1CC1)[*:1]
C#CCN[C@H]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 C#CCN[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCCC[C@@H]1[*:1]
C#CCN[C@H]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 C#CC[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCCC[C@@H]1N[*:1]
Cc1ccc(OCC(=O)N2CCN(CCc3ccccn3)CC2)cc1 c1ccc(C[*:1])nc1 Cc1ccc(cc1)OCC(=O)N1CCN(CC1)C[*:1]
Cc1ccc(OCC(=O)N2CCN(CCc3ccccn3)CC2)cc1 c1ccc(CC[*:1])nc1 Cc1ccc(cc1)OCC(=O)N1CCN(CC1)[*:1]
Cc1ccc(OCC(=O)N2CCN(CCc3ccccn3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CCc2ccccn2)CC1
Cc1ccc(OCC(=O)N2CCN(CCc3ccccn3)CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CCc2ccccn2)CC1
Cc1ccc(OCC(=O)N2CCN(CCc3ccccn3)CC2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)OCC(=O)N1CCN(CC1)CC[*:1]
O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccccc1Br O=c1[nH]c(nc2CCCc21)[*:1] O=C(Nc1cc(nn1[*:1])-c1cccs1)c1ccccc1Br
O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccccc1Br Brc1ccccc1[*:1] O=C(Nc1cc(nn1-c1nc2CCCc2c(=O)[nH]1)-c1cccs1)[*:1]
O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccccc1Br O=C(N[*:1])c1ccccc1Br O=c1[nH]c(nc2CCCc21)-n1nc(cc1[*:1])-c1cccs1
O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccccc1Br c1csc(c1)[*:1] O=C(Nc1cc(nn1-c1nc2CCCc2c(=O)[nH]1)[*:1])c1ccccc1Br
C[C@H]1CC(C(=O)Oc2ccccc2C(F)(F)F)C[C@H](C)O1 FC(F)(F)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Oc1ccccc1[*:1]
CCOC[C@H]1CCCN(C(=O)Cc2ccc(C)s2)C1 CCOC[*:1] Cc1ccc(CC(=O)N2CCC[C@@H](C2)[*:1])s1
CCOC[C@H]1CCCN(C(=O)Cc2ccc(C)s2)C1 CCO[*:1] Cc1ccc(CC(=O)N2CCC[C@@H](C2)C[*:1])s1
CCOC[C@H]1CCCN(C(=O)Cc2ccc(C)s2)C1 Cc1ccc(s1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1c(C(N)=O)sc(NC(=O)CN2CCc3ccccc3C2)c1C(=O)OC(C)C CC(C)OC(=O)[*:1] Cc1c(sc(NC(=O)CN2CCc3ccccc3C2)c1[*:1])C(N)=O
Cc1c(C(N)=O)sc(NC(=O)CN2CCc3ccccc3C2)c1C(=O)OC(C)C CC(C)[*:1] Cc1c(sc(NC(=O)CN2CCc3ccccc3C2)c1C(=O)O[*:1])C(N)=O
Cc1c(C(N)=O)sc(NC(=O)CN2CCc3ccccc3C2)c1C(=O)OC(C)C NC(=O)[*:1] Cc1c(sc(NC(=O)CN2CCc3ccccc3C2)c1C(=O)OC(C)C)[*:1]
CC(=O)c1ccccc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CC(=O)[*:1] O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1[*:1]
CC(=O)c1ccccc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CC(=O)c1ccccc1C(=O)N[C@H]1CCO[C@H]1[*:1]
CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccccc4)n3C)cc2C1 c1ccc(cc1)[*:1] CC[C@@H]1CCc2sc(cc2C1)-c1nnc(SCC(=O)N[*:1])n1C
CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccccc4)n3C)cc2C1 O=C(Nc1ccccc1)[*:1] CC[C@@H]1CCc2sc(cc2C1)-c1nnc(SC[*:1])n1C
CCC(=O)Nc1ccc(NC(=O)CBr)cc1 CCC(=O)N[*:1] O=C(CBr)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(NC(=O)CBr)cc1 O=C(CBr)N[*:1] CCC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)c(OC)c1 c1cnc(nc1)[*:1] COc1ccc(C[NH2+]C[C@@H]2CCCN(C2)[*:1])c(c1)OC
CC(C)C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] CC(C)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CC(C)C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 CC(C)[*:1] O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
CC(C)C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] CC(C)C(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
CC(C)C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 CC(C)C(=O)N[*:1] C1CCC(C1)O[C@H]1CCCC[C@H]1[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N[C@H](C)c1ccccc1Br Brc1ccccc1[*:1] CC[C@@H](C)NC(=O)CCNC(=O)N[C@H](C)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N[C@H](C)c1ccccc1Br CC[C@@H](C)NC(=O)[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccccc1Br
CC[C@@H](C)NC(=O)CCNC(=O)N[C@H](C)c1ccccc1Br CC[C@@H](C)[*:1] C[C@@H](NC(=O)NCCC(=O)N[*:1])c1ccccc1Br
O=C(NCCCc1ccccc1)C(=O)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(NCCCc1ccccc1)C(=O)N1CCC[C@@H]1[*:1]
O=C(NCCCc1ccccc1)C(=O)N1CCC[C@H]1CN1CCOCC1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])C(=O)N1CCC[C@H]1CN1CCOCC1
O=C(NCCCc1ccccc1)C(=O)N1CCC[C@H]1CN1CCOCC1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])C(=O)N1CCC[C@H]1CN1CCOCC1
O=C(NCCCc1ccccc1)C(=O)N1CCC[C@H]1CN1CCOCC1 c1ccc(cc1)CC[*:1] O=C(NC[*:1])C(=O)N1CCC[C@H]1CN1CCOCC1
O=C(NCCCc1ccccc1)C(=O)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(NCCCc1ccccc1)C(=O)N1CCC[C@H]1C[*:1]
C[C@H]1C[C@@H](NC(=O)c2ccc(NC=O)cc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](NC(=O)c2ccc(cc2)NC=O)C(=O)N1[*:1]
C[C@H]1C[C@@H](NC(=O)c2ccc(NC=O)cc2)C(=O)N1c1ccccc1 O=CN[*:1] C[C@H]1C[C@@H](NC(=O)c2ccc(cc2)[*:1])C(=O)N1c1ccccc1
Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@H]2CCO[C@@H]2C)c1C NS(=O)(=O)[*:1] Cc1cc(cc(NC(=O)[C@H]2CCO[C@@H]2C)c1C)[*:1]
CC[NH2+][C@H](C=C(C)C)CSC1CCCC1 CC(C)=C[*:1] CC[NH2+][C@H](CSC1CCCC1)[*:1]
CC[NH2+][C@H](C=C(C)C)CSC1CCCC1 C1CCC(C1)[*:1] CC[NH2+][C@H](C=C(C)C)CS[*:1]
COc1ccc(OC)c(/C=N/N2C(=S)[NH+]=N[C@H]2c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] COc1ccc(OC)c(/C=N/N2C(=S)[NH+]=N[C@@H]2[*:1])c1
COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br CC(C)C[*:1] COc1ccc(cc1Br)C(=O)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br CC(C)[*:1] COc1ccc(cc1Br)C(=O)NNC(=O)c1ccc(cc1)NC(=O)C[*:1]
COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br CC(C)CC(=O)N[*:1] COc1ccc(cc1Br)C(=O)NNC(=O)c1ccc(cc1)[*:1]
COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br COc1ccc(cc1Br)[*:1] CC(C)CC(=O)Nc1ccc(cc1)C(=O)NNC(=O)[*:1]
CCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ccccc2c1=O COc1ccc(C)cc1[*:1] CCCn1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
CCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ccccc2c1=O CCC[*:1] COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
COc1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1OC(C)=O CC(=O)O[*:1] COc1cc(ccc1[*:1])C(=O)Nc1cc(Cl)c(O)c(Cl)c1
Cc1cc(F)ccc1S(=O)(=O)NCC(=O)N1CCC2(CCCO2)CC1 Cc1cc(F)ccc1[*:1] O=C(CNS(=O)(=O)[*:1])N1CCC2(CCCO2)CC1
Cc1ccccc1[C@H](O)CNC(=O)NC[C@@H](C)Oc1ccccc1F Cc1ccccc1[*:1] C[C@H](CNC(=O)NC[C@@H](O)[*:1])Oc1ccccc1F
Cc1ccccc1[C@H](O)CNC(=O)NC[C@@H](C)Oc1ccccc1F Fc1ccccc1O[*:1] Cc1ccccc1[C@H](O)CNC(=O)NC[C@@H](C)[*:1]
Cc1ccccc1[C@H](O)CNC(=O)NC[C@@H](C)Oc1ccccc1F Fc1ccccc1[*:1] Cc1ccccc1[C@H](O)CNC(=O)NC[C@@H](C)O[*:1]
CCc1ccccc1N1C[C@@H](C(=O)N2C[C@@H](C)OC[C@@H]2C)CC1=O CCc1ccccc1[*:1] C[C@H]1CO[C@H](C)CN1C(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](C(=O)NC1CCCC1)N(C(=O)c1ccco1)[*:1]
COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1 O=C(NC1CCCC1)[*:1] COc1ccc(cc1)[C@H](N(C(=O)c1ccco1)c1ccc(F)cc1)[*:1]
COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NC1CCCC1)[C@H](N(C(=O)c1ccco1)c1ccc(F)cc1)[*:1]
COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@H](C(=O)NC1CCCC1)N(C(=O)[*:1])c1ccc(F)cc1
COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)[C@H](C(=O)N[*:1])N(C(=O)c1ccco1)c1ccc(F)cc1
Cc1ccsc1C(=O)NCCNC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccsc1C(=O)NCCNC(=O)[*:1]
Cc1ccsc1C(=O)NCCNC(=O)c1ccco1 Cc1ccsc1[*:1] O=C(NCCNC(=O)[*:1])c1ccco1
CO[C@]1(C)C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1(C)C C1CO[C@@H](C1)C[*:1] CO[C@]1(C)C[C@H](NC(=O)N(CC[NH+](C)C)[*:1])C1(C)C
CO[C@]1(C)C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1(C)C C1CO[C@@H](C1)[*:1] CO[C@]1(C)C[C@H](NC(=O)N(CC[NH+](C)C)C[*:1])C1(C)C
Cc1nccn1-c1ccc([C@H](C)NC(=O)NCC(=O)N2CCCCC2)cc1 O=C(C[*:1])N1CCCCC1 Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)N[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)NCC(=O)N2CCCCC2)cc1 Cc1nccn1[*:1] C[C@H](NC(=O)NCC(=O)N1CCCCC1)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)NCC(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)NC[*:1]
COc1ccc(CNC(=O)C[NH+]2CCc3nc4c(F)c(Cl)ccc4c([O-])c3C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C[NH+]1CCc2nc3c(F)c(Cl)ccc3c([O-])c2C1)NC[*:1]
COc1ccc(O[C@@H](C)C(=O)NNc2cccnc2Cl)cc1 Clc1ncccc1[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)NN[*:1]
CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 COc1ccccc1[*:1] CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(N2C3=[N+](CCCCC3)C[C@]2(O)c2ccc(OC(F)F)cc2)cc1 CCOc1ccc(cc1)[*:1] O[C@@]1(C[N+]2CCCCCC=2N1[*:1])c1ccc(cc1)OC(F)F
CCOc1ccc(N2C3=[N+](CCCCC3)C[C@]2(O)c2ccc(OC(F)F)cc2)cc1 FC(F)[*:1] CCOc1ccc(cc1)N1C2CCCCC[N+]=2C[C@]1(O)c1ccc(cc1)O[*:1]
CCOc1ccc(N2C3=[N+](CCCCC3)C[C@]2(O)c2ccc(OC(F)F)cc2)cc1 FC(F)Oc1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C2CCCCC[N+]=2C[C@@]1(O)[*:1]
CCOc1ccc(N2C3=[N+](CCCCC3)C[C@]2(O)c2ccc(OC(F)F)cc2)cc1 FC(F)O[*:1] CCOc1ccc(cc1)N1C2CCCCC[N+]=2C[C@]1(O)c1ccc(cc1)[*:1]
CCOc1ccc(N2C3=[N+](CCCCC3)C[C@]2(O)c2ccc(OC(F)F)cc2)cc1 CCO[*:1] O[C@@]1(C[N+]2CCCCCC=2N1c1ccc(cc1)[*:1])c1ccc(cc1)OC(F)F
C[C@]1(C(=O)NN)NOC(c2ccc(C(F)(F)F)cc2)=C1C(=O)[O-] NNC(=O)[*:1] C[C@@]1(NOC(=C1C(=O)[O-])c1ccc(cc1)C(F)(F)F)[*:1]
C[C@]1(C(=O)NN)NOC(c2ccc(C(F)(F)F)cc2)=C1C(=O)[O-] O=C([O-])[*:1] C[C@@]1(NOC(=C1[*:1])c1ccc(cc1)C(F)(F)F)C(=O)NN
C[C@]1(C(=O)NN)NOC(c2ccc(C(F)(F)F)cc2)=C1C(=O)[O-] FC(F)(F)[*:1] C[C@@]1(NOC(=C1C(=O)[O-])c1ccc(cc1)[*:1])C(=O)NN
CS(=O)(=O)[C@H]1CCC[C@H](n2nnc(N)c2C2CC2)C1 CS(=O)(=O)[*:1] Nc1nnn(c1C1CC1)[C@H]1CCC[C@@H](C1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](n2nnc(N)c2C2CC2)C1 C1CC1[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)n1nnc(N)c1[*:1]
O=C(c1cccs1)N1CCC(C(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 c1csc(c1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCC[C@H]2CCCC[C@@H]21
C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 FC(F)(F)[*:1] C[C@]1(CCC[NH2+]1)c1ccc(cc1)[*:1]
COC[C@H](C)CC(=O)N1CCO[C@H](C[NH3+])C1 COC[C@H](C)[*:1] [NH3+]C[C@@H]1CN(CCO1)C(=O)C[*:1]
COC[C@H](C)CC(=O)N1CCO[C@H](C[NH3+])C1 COC[*:1] C[C@H](CC(=O)N1CCO[C@H](C[NH3+])C1)[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1O Brc1cccc(c1)[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])cc(Cl)c1O
C[C@@H](NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12)c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] C[C@@H](NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
CSc1nc(C2CC2)nc(C)c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C C1CC1[*:1] CSc1nc(nc(C)c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[*:1]
CSc1nc(C2CC2)nc(C)c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] CSc1nc(nc(C)c1C(=O)NC[C@@H]([NH+](C)C)[*:1])C1CC1
CCCC(=O)Nc1cccc(CNC(=O)N(C)Cc2sccc2C)c1 Cc1ccsc1[*:1] CCCC(=O)Nc1cccc(c1)CNC(=O)N(C)C[*:1]
CCCC(=O)Nc1cccc(CNC(=O)N(C)Cc2sccc2C)c1 Cc1ccsc1C[*:1] CCCC(=O)Nc1cccc(c1)CNC(=O)N(C)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)N(C)Cc2sccc2C)c1 CCCC(=O)N[*:1] Cc1ccsc1CN(C)C(=O)NCc1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)N(C)Cc2sccc2C)c1 CCC[*:1] Cc1ccsc1CN(C)C(=O)NCc1cccc(c1)NC(=O)[*:1]
CCCCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(F)c(F)c1 CCCC[*:1] C[C@@H](C(=O)NC[*:1])S(=O)(=O)c1ccc(F)c(F)c1
CCCCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(F)c(F)c1 CCC[*:1] C[C@@H](C(=O)NCC[*:1])S(=O)(=O)c1ccc(F)c(F)c1
CCCCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(F)c(F)c1 CCCCC[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)c1ccc(F)c(F)c1
COc1c(Cl)cccc1NC(=O)C(=O)NCCC(C)C CC(C)CC[*:1] COc1c(Cl)cccc1NC(=O)C(=O)N[*:1]
COc1c(Cl)cccc1NC(=O)C(=O)NCCC(C)C CC(C)[*:1] COc1c(Cl)cccc1NC(=O)C(=O)NCC[*:1]
COc1c(Cl)cccc1NC(=O)C(=O)NCCC(C)C CC(C)C[*:1] COc1c(Cl)cccc1NC(=O)C(=O)NC[*:1]
CN(C(=O)c1ccc(NC(=O)NCCn2cccc2)cc1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)NCCn1cccc1)[*:1]
CN(C(=O)c1ccc(NC(=O)NCCn2cccc2)cc1)C1CCOCC1 c1ccn(c1)C[*:1] CN(C(=O)c1ccc(cc1)NC(=O)NC[*:1])C1CCOCC1
CN(C(=O)c1ccc(NC(=O)NCCn2cccc2)cc1)C1CCOCC1 c1ccn(c1)CC[*:1] CN(C(=O)c1ccc(cc1)NC(=O)N[*:1])C1CCOCC1
CN(C(=O)c1ccc(NC(=O)NCCn2cccc2)cc1)C1CCOCC1 c1ccn(c1)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)NCC[*:1])C1CCOCC1
Cc1cc(C)n(CCN2C(=O)c3cccc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)c3C2=O)n1 Cc1cc(C)n(CC[*:1])n1 O=C1c2cccc(c2C(=O)N1[*:1])N1CC[NH+](CC1)Cc1ccc2OCOc2c1
Cc1cc(C)n(CCN2C(=O)c3cccc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)c3C2=O)n1 c1cc2OCOc2cc1[*:1] Cc1cc(C)n(CCN2C(=O)c3cccc(c3C2=O)N2CC[NH+](CC2)C[*:1])n1
Cc1cc(C)n(CCN2C(=O)c3cccc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)c3C2=O)n1 c1cc2OCOc2cc1C[*:1] Cc1cc(C)n(CCN2C(=O)c3cccc(c3C2=O)N2CC[NH+](CC2)[*:1])n1
Cc1cc(C)n(CCN2C(=O)c3cccc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)c3C2=O)n1 Cc1cc(C)n(n1)[*:1] O=C1c2cccc(c2C(=O)N1CC[*:1])N1CC[NH+](CC1)Cc1ccc2OCOc2c1
Cc1cc(C)n(CCN2C(=O)c3cccc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)c3C2=O)n1 Cc1cc(C)n(C[*:1])n1 O=C1c2cccc(c2C(=O)N1C[*:1])N1CC[NH+](CC1)Cc1ccc2OCOc2c1
C[C@H](CCO)N(Cc1ccccc1)Cc1ccc(C#N)cc1F OCC[*:1] C[C@H](N(Cc1ccccc1)Cc1ccc(C#N)cc1F)[*:1]
C[C@H](CCO)N(Cc1ccccc1)Cc1ccc(C#N)cc1F c1ccc(cc1)C[*:1] C[C@H](CCO)N(Cc1ccc(C#N)cc1F)[*:1]
C[C@H](CCO)N(Cc1ccccc1)Cc1ccc(C#N)cc1F c1ccc(cc1)[*:1] C[C@H](CCO)N(Cc1ccc(C#N)cc1F)C[*:1]
O=C(Nc1ccncc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1Cl c1cc(ccn1)[*:1] O=C(N[*:1])/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1Cl
O=C(Nc1ccncc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1Cl O=C(Nc1ccncc1)[*:1] O=C(N/C(=C/c1ccc(Br)cc1)[*:1])c1ccccc1Cl
O=C(Nc1ccncc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1Cl Brc1ccc(cc1)[*:1] O=C(Nc1ccncc1)C(=C[*:1])NC(=O)c1ccccc1Cl
O=C(Nc1ccncc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1ccncc1)/C(=C\c1ccc(Br)cc1)NC(=O)[*:1]
Cc1ccsc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1C[C@@H]1CCCO1 Cc1ccsc1[*:1] O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1[*:1])c1ccccc1
Cc1ccsc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ccsc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1C[*:1]
Cc1ccsc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1C[C@@H]1CCCO1 c1ccc(cc1)[*:1] Cc1ccsc1[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C[C@@H]1CCCO1
Cc1ccsc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1C[C@@H]1CCCO1 O=C(c1ccccc1)[*:1] Cc1ccsc1[C@H]1C(=C([O-])C(=O)N1C[C@@H]1CCCO1)[*:1]
Cc1ccsc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1ccsc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
C[C@H](NC(=O)c1cn(C)nc1-c1cccs1)[C@H](O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](NC(=O)c1cn(C)nc1-c1cccs1)[C@H](O)[*:1]
C[C@H](NC(=O)c1cn(C)nc1-c1cccs1)[C@H](O)c1ccc(F)c(F)c1 c1csc(c1)[*:1] C[C@H](NC(=O)c1cn(C)nc1[*:1])[C@H](O)c1ccc(F)c(F)c1
C[C@@H](Nc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)NC(=O)CO2 FC(F)(F)[*:1] C[C@@H](Nc1ccc(cn1)[*:1])c1ccc2OCC(=O)Nc2c1
C=C1C=C(CO)[C@H](C(=O)NCCCC)C(=O)N1 CCCC[*:1] C=C1C=C(CO)[C@@H](C(=O)N1)C(=O)N[*:1]
C=C1C=C(CO)[C@H](C(=O)NCCCC)C(=O)N1 CCC[*:1] C=C1C=C(CO)[C@H](C(=O)NC[*:1])C(=O)N1
Cc1ccccc1NC(=O)N1C[C@H](C)Sc2ccccc21 Cc1ccccc1[*:1] C[C@H]1CN(C(=O)N[*:1])c2ccccc2S1
CCc1c(C)noc1-c1cnc(NCc2ccccc2F)nc1-c1cnc(C)cn1 Fc1ccccc1CN[*:1] CCc1c(C)noc1-c1cnc(nc1-c1cnc(C)cn1)[*:1]
CCc1c(C)noc1-c1cnc(NCc2ccccc2F)nc1-c1cnc(C)cn1 Fc1ccccc1[*:1] CCc1c(C)noc1-c1cnc(nc1-c1cnc(C)cn1)NC[*:1]
CCc1c(C)noc1-c1cnc(NCc2ccccc2F)nc1-c1cnc(C)cn1 Fc1ccccc1C[*:1] CCc1c(C)noc1-c1cnc(nc1-c1cnc(C)cn1)N[*:1]
CCc1c(C)noc1-c1cnc(NCc2ccccc2F)nc1-c1cnc(C)cn1 Cc1cnc(cn1)[*:1] CCc1c(C)noc1-c1cnc(nc1[*:1])NCc1ccccc1F
CCc1c(C)noc1-c1cnc(NCc2ccccc2F)nc1-c1cnc(C)cn1 CCc1c(C)noc1[*:1] Cc1cnc(cn1)-c1nc(ncc1[*:1])NCc1ccccc1F
CNC(=O)c1cccc(NC(=O)c2nc(C3CC3)n3ccccc23)c1 C1CC1[*:1] CNC(=O)c1cccc(c1)NC(=O)c1nc(n2ccccc12)[*:1]
CNC(=O)c1cccc(NC(=O)c2nc(C3CC3)n3ccccc23)c1 CNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1nc(C2CC2)n2ccccc12
Cc1cc(C(=O)Nc2cc(Br)c(=O)n(C)c2)[nH]n1 Cc1cc([nH]n1)[*:1] Cn1cc(cc(Br)c1=O)NC(=O)[*:1]
C[C@H]1CN(Cc2sc(N(C)C)nc2-c2ccccc2)[C@H](C)CO1 CN(C)[*:1] C[C@H]1CN(Cc2sc(nc2-c2ccccc2)[*:1])[C@H](C)CO1
C[C@H]1CN(Cc2sc(N(C)C)nc2-c2ccccc2)[C@H](C)CO1 c1ccc(cc1)[*:1] C[C@H]1CN(Cc2sc(nc2[*:1])N(C)C)[C@H](C)CO1
CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccc(Br)cc2c1=O O=[N+]([O-])[*:1] CCn1c(nc2ccc(Br)cc2c1=O)S[C@H](C)C(=O)Nc1ccc(F)c(c1)[*:1]
CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccc(Br)cc2c1=O O=[N+]([O-])c1cc(ccc1F)[*:1] CCn1c(nc2ccc(Br)cc2c1=O)S[C@H](C)C(=O)N[*:1]
CC(C)[NH2+][C@]1(CO)CC[C@@H](N2CCC[C@H](C(F)(F)F)C2)C1 FC(F)(F)[*:1] CC(C)[NH2+][C@]1(CO)CC[C@H](C1)N1CCC[C@H](C1)[*:1]
CC(C)[NH2+][C@]1(CO)CC[C@@H](N2CCC[C@H](C(F)(F)F)C2)C1 CC(C)[*:1] OC[C@]1(CC[C@H](C1)N1CCC[C@@H](C1)C(F)(F)F)[NH2+][*:1]
FC(F)(F)[C@@H]1C[NH2+]C[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] FC(F)(F)[C@H]1C[NH2+]C[C@H](C1)[*:1]
CCN(C[C@H]1CCCO1)C(=O)[C@H]1CCc2cn[nH]c2C1 C1CO[C@H](C1)[*:1] CCN(C[*:1])C(=O)[C@H]1CCc2cn[nH]c2C1
CCN(C[C@H]1CCCO1)C(=O)[C@H]1CCc2cn[nH]c2C1 C1CO[C@H](C1)C[*:1] CCN(C(=O)[C@H]1CCc2cn[nH]c2C1)[*:1]
COC(=O)c1ccc(CO/N=C(/N)C(F)(F)F)c(F)c1 FC(F)(F)[*:1] COC(=O)c1ccc(CO/N=C(/N)[*:1])c(F)c1
COC(=O)c1ccc(CO/N=C(/N)C(F)(F)F)c(F)c1 COC(=O)[*:1] N/C(=N/OCc1ccc(cc1F)[*:1])C(F)(F)F
CCOC(=O)CS[C@H]1CC(=O)N(c2cccc3ccccc23)C1=O CCOC(=O)[*:1] O=C1C[C@H](SC[*:1])C(=O)N1c1cccc2ccccc12
CCOC(=O)CS[C@H]1CC(=O)N(c2cccc3ccccc23)C1=O CCOC(=O)CS[*:1] O=C1C[C@@H](C(=O)N1c1cccc2ccccc12)[*:1]
CCOC(=O)CS[C@H]1CC(=O)N(c2cccc3ccccc23)C1=O CCOC(=O)C[*:1] O=C1C[C@H](S[*:1])C(=O)N1c1cccc2ccccc12
O=C(Cc1noc(-c2ccc(-n3ccnn3)cc2)n1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1noc(n1)-c1ccc(cc1)-n1ccnn1)N[*:1]
O=C(Cc1noc(-c2ccc(-n3ccnn3)cc2)n1)NC1CCCCC1 c1cn(nn1)[*:1] O=C(Cc1noc(n1)-c1ccc(cc1)[*:1])NC1CCCCC1
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cn3ccccc3n2)cc1 O=[N+]([O-])[*:1] O=S(=O)(NCc1cn2ccccc2n1)c1ccc(cc1)[*:1]
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NO[C@H]2CCCCO2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nn(cc1C(=O)NO[C@H]1CCCCO1)[*:1]
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NO[C@H]2CCCCO2)cc1 Cc1ccc(cc1)[*:1] O=C(NO[C@H]1CCCCO1)c1cn(nc1[*:1])-c1ccc(F)cc1
CCCCN1C(=O)/C(=C2/C[C@H](c3cccc([N+](=O)[O-])c3)Sc3ccccc3N2)C(=O)NC1=S CCC[*:1] O=C1NC(=S)N(C[*:1])C(=O)/C1=C1/C[C@@H](Sc2ccccc2N1)c1cccc(c1)[N+](=O)[O-]
CCCCN1C(=O)/C(=C2/C[C@H](c3cccc([N+](=O)[O-])c3)Sc3ccccc3N2)C(=O)NC1=S O=[N+]([O-])c1cccc(c1)[*:1] CCCCN1C(=O)/C(C(=O)NC1=S)=C1/C[C@H](Sc2ccccc2N1)[*:1]
CCCCN1C(=O)/C(=C2/C[C@H](c3cccc([N+](=O)[O-])c3)Sc3ccccc3N2)C(=O)NC1=S O=[N+]([O-])[*:1] CCCCN1C(=O)/C(C(=O)NC1=S)=C1/C[C@@H](Sc2ccccc2N1)c1cccc(c1)[*:1]
CCCCN1C(=O)/C(=C2/C[C@H](c3cccc([N+](=O)[O-])c3)Sc3ccccc3N2)C(=O)NC1=S CCCC[*:1] O=C1NC(=S)N(C(=O)/C1=C1/C[C@@H](Sc2ccccc2N1)c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)sc1C FC(F)(F)[*:1] Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(sc1C)-c1cc(on1)[*:1]
Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)sc1C FC(F)(F)c1cc(no1)[*:1] Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(sc1C)[*:1]
Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)sc1C Cc1ccc(Cl)cc1[*:1] Cc1sc(cc1S(=O)(=O)N[*:1])-c1cc(on1)C(F)(F)F
C=CCSc1ccccc1C(=O)Nc1ccccc1NC(C)=O CC(=O)N[*:1] C=CCSc1ccccc1C(=O)Nc1ccccc1[*:1]
C=CCSc1ccccc1C(=O)Nc1ccccc1NC(C)=O C=CCS[*:1] CC(=O)Nc1ccccc1NC(=O)c1ccccc1[*:1]
C=CCSc1ccccc1C(=O)Nc1ccccc1NC(C)=O C=CC[*:1] CC(=O)Nc1ccccc1NC(=O)c1ccccc1S[*:1]
CNC(=O)c1cccc(CCNC(=O)N[C@H]2CCC[C@@H]2CO)c1 CNC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])N[C@H]1CCC[C@@H]1CO
COc1ccccc1CCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc21 COc1ccccc1CC[*:1] O=C(Nc1nc2c(CC[C@H]2C(=O)N[*:1])s1)c1ccc(F)cc1
COc1ccccc1CCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc21 COc1ccccc1[*:1] O=C(Nc1nc2c(CC[C@H]2C(=O)NCC[*:1])s1)c1ccc(F)cc1
COc1ccccc1CCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc21 COc1ccccc1C[*:1] O=C(Nc1nc2c(CC[C@H]2C(=O)NC[*:1])s1)c1ccc(F)cc1
COc1ccccc1CCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc21 O=C(N[*:1])c1ccc(F)cc1 COc1ccccc1CCNC(=O)[C@@H]1CCc2sc(nc21)[*:1]
COc1ccccc1CCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc21 Fc1ccc(cc1)[*:1] COc1ccccc1CCNC(=O)[C@@H]1CCc2sc(nc21)NC(=O)[*:1]
C[C@]1(C(=O)NCc2ccccc2Cn2cccn2)CC1(Cl)Cl c1cnn(c1)C[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NCc1ccccc1[*:1]
C[C@]1(C(=O)NCc2ccccc2Cn2cccn2)CC1(Cl)Cl c1cnn(c1)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NCc1ccccc1C[*:1]
COc1cc(C#N)cc(Cl)c1OC(=O)CCc1ccsc1 c1cc(cs1)C[*:1] COc1cc(C#N)cc(Cl)c1OC(=O)C[*:1]
COc1cc(C#N)cc(Cl)c1OC(=O)CCc1ccsc1 c1cc(cs1)CC[*:1] COc1cc(C#N)cc(Cl)c1OC(=O)[*:1]
COc1cc(C#N)cc(Cl)c1OC(=O)CCc1ccsc1 c1cc(cs1)[*:1] COc1cc(C#N)cc(Cl)c1OC(=O)CC[*:1]
CCOc1ccc(CNC(=O)CS(=O)(=O)NC)cc1F CNS(=O)(=O)C[*:1] CCOc1ccc(cc1F)CNC(=O)[*:1]
CCOc1ccc(CNC(=O)CS(=O)(=O)NC)cc1F CCO[*:1] CNS(=O)(=O)CC(=O)NCc1ccc(c(F)c1)[*:1]
CCOc1ccc(CNC(=O)CS(=O)(=O)NC)cc1F CNS(=O)(=O)[*:1] CCOc1ccc(cc1F)CNC(=O)C[*:1]
CC[C@H](C)N(Cc1ccncc1)C(=O)Cc1cccc(F)c1 c1cc(ccn1)C[*:1] CC[C@H](C)N(C(=O)Cc1cccc(F)c1)[*:1]
CC[C@H](C)N(Cc1ccncc1)C(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@H](C)N(Cc1ccncc1)C(=O)C[*:1]
CC[C@H](C)N(Cc1ccncc1)C(=O)Cc1cccc(F)c1 CC[C@H](C)[*:1] O=C(Cc1cccc(F)c1)N(Cc1ccncc1)[*:1]
CC[C@H](C)N(Cc1ccncc1)C(=O)Cc1cccc(F)c1 c1cc(ccn1)[*:1] CC[C@H](C)N(C[*:1])C(=O)Cc1cccc(F)c1
CCOc1ccc(CNC(=O)CS(=O)(=O)NC)cc1C CNS(=O)(=O)C[*:1] CCOc1ccc(cc1C)CNC(=O)[*:1]
CCOc1ccc(CNC(=O)CS(=O)(=O)NC)cc1C CCO[*:1] CNS(=O)(=O)CC(=O)NCc1ccc(c(C)c1)[*:1]
CCOc1ccc(CNC(=O)CS(=O)(=O)NC)cc1C CNS(=O)(=O)[*:1] CCOc1ccc(cc1C)CNC(=O)C[*:1]
CCCCS(=O)(=O)NC(C)(C)c1nc(C)c(C)s1 CCC[*:1] Cc1nc(sc1C)C(C)(C)NS(=O)(=O)C[*:1]
CCCCS(=O)(=O)NC(C)(C)c1nc(C)c(C)s1 CCCC[*:1] Cc1nc(sc1C)C(C)(C)NS(=O)(=O)[*:1]
O=C(C[C@H](O)c1ccccc1)Nc1cccc(-n2ccnn2)c1 c1cn(nn1)[*:1] O=C(C[C@H](O)c1ccccc1)Nc1cccc(c1)[*:1]
O=C(C[C@H](O)c1ccccc1)Nc1cccc(-n2ccnn2)c1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])Nc1cccc(c1)-n1ccnn1
COCOc1cc(O)c2c(=O)cc(-c3ccc(Cl)cc3)oc2c1 Clc1ccc(cc1)[*:1] COCOc1cc(O)c2c(=O)cc(oc2c1)[*:1]
COCOc1cc(O)c2c(=O)cc(-c3ccc(Cl)cc3)oc2c1 COCO[*:1] O=c1cc(oc2cc(cc(O)c12)[*:1])-c1ccc(Cl)cc1
COCOc1cc(O)c2c(=O)cc(-c3ccc(Cl)cc3)oc2c1 COC[*:1] O=c1cc(oc2cc(cc(O)c12)O[*:1])-c1ccc(Cl)cc1
COc1ccc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1F O=[N+]([O-])[*:1] COc1ccc(cc1F)C(=O)Cn1cc(ccc1=O)[*:1]
CC[C@@H](C)N(C)C(=O)NCCc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@@H](C)N(C)C(=O)NCCc1csc(n1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4ccccc4s3)C2)cc1 c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4ccccc4s3)C2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc2ccccc2s1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccccc1CN(C)C(=O)C[NH+](C)Cc1nccn1C(F)F FC(F)n1ccnc1[*:1] Cc1ccccc1CN(C)C(=O)C[NH+](C)C[*:1]
Cc1ccccc1CN(C)C(=O)C[NH+](C)Cc1nccn1C(F)F Cc1ccccc1[*:1] CN(C[*:1])C(=O)C[NH+](C)Cc1nccn1C(F)F
Cc1ccccc1CN(C)C(=O)C[NH+](C)Cc1nccn1C(F)F Cc1ccccc1C[*:1] CN(C(=O)C[NH+](C)Cc1nccn1C(F)F)[*:1]
Cc1ccccc1CN(C)C(=O)C[NH+](C)Cc1nccn1C(F)F FC(F)[*:1] Cc1ccccc1CN(C)C(=O)C[NH+](C)Cc1nccn1[*:1]
CC(C)c1ccc([C@](C)(O)[C@@H](F)C(=O)[O-])cc1 CC(C)[*:1] C[C@](O)(c1ccc(cc1)[*:1])[C@@H](F)C(=O)[O-]
CC(C)c1ccc([C@](C)(O)[C@@H](F)C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)[C@](C)(O)[C@@H](F)[*:1]
CCN(Cc1sc(N(C)C)nc1C)[C@H](C)CS(C)(=O)=O CN(C)[*:1] CCN(Cc1sc(nc1C)[*:1])[C@H](C)CS(C)(=O)=O
CCN(Cc1sc(N(C)C)nc1C)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(Cc1sc(nc1C)N(C)C)[C@H](C)C[*:1]
CCN(Cc1sc(N(C)C)nc1C)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(Cc1sc(nc1C)N(C)C)[C@H](C)[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@H](C)C(C)C CC(C)[*:1] CCCNc1cc(C)ccc1C(=O)N[C@H](C)[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@H](C)C(C)C CCCN[*:1] Cc1ccc(C(=O)N[C@H](C)C(C)C)c(c1)[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@H](C)C(C)C CCC[*:1] Cc1ccc(C(=O)N[C@H](C)C(C)C)c(c1)N[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CCCNc1cc(C)ccc1C(=O)N[*:1]
COC(=O)C1=C(C)N=C(c2cccs2)[C@@H]1[C@H]1C(=O)Nc2ccc(C)cc21 COC(=O)[*:1] CC1N=C(c2cccs2)[C@@H](C=1[*:1])[C@H]1C(=O)Nc2ccc(C)cc21
COC(=O)C1=C(C)N=C(c2cccs2)[C@@H]1[C@H]1C(=O)Nc2ccc(C)cc21 c1csc(c1)[*:1] COC(=O)C1=C(C)N=C([C@@H]1[C@H]1C(=O)Nc2ccc(C)cc21)[*:1]
O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc2ccccc2[nH]1 c1cc(n[nH]1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2ccccc2[nH]1
Cc1ccc(-c2cncc(C#N)c2)cc1C(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1[*:1])-c1cncc(C#N)c1
CCO/C([O-])=C(\C(C)=O)S(=O)(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCO/C([O-])=C(\C(C)=O)S(=O)(=O)c1ccc(cc1)[*:1]
CCO/C([O-])=C(\C(C)=O)S(=O)(=O)c1ccc(C(C)(C)C)cc1 CC(=O)[*:1] CCO/C([O-])=C(/S(=O)(=O)c1ccc(cc1)C(C)(C)C)[*:1]
CCO/C([O-])=C(\C(C)=O)S(=O)(=O)c1ccc(C(C)(C)C)cc1 CCO[*:1] CC(=O)C(=C([O-])[*:1])S(=O)(=O)c1ccc(cc1)C(C)(C)C
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)COC2)c1ccc(C(F)(F)F)cc1 c1cc2COCc2cc1[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1ccc(cc1)C(F)(F)F
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)COC2)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2COCc2c1)c1ccc(cc1)[*:1]
Cc1ccccc1C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCOCC1 Cc1ccccc1[*:1] C[C@H](NC(=O)[*:1])[C@H](c1cccs1)N1CCOCC1
Cc1ccccc1C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccccc1C(=O)N[C@@H](C)[C@H](c1cccs1)[*:1]
Cc1ccccc1C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCOCC1 c1csc(c1)[*:1] Cc1ccccc1C(=O)N[C@@H](C)[C@H](N1CCOCC1)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[*:1]
CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCc1ccco1 c1coc(c1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[*:1]
CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCc1ccco1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NCc1ccco1
CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCc1ccco1 CC(C)[*:1] O=C(N[C@@H](C(=O)NCc1ccco1)[*:1])c1ccc(F)cc1
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC1(c2ccncc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)N[*:1])C(=O)NCC1(CC1)c1ccncc1
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC1(c2ccncc2)CC1 c1cc(ccn1)C1(CC1)[*:1] CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NC[*:1]
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC1(c2ccncc2)CC1 CC(C)[*:1] O=C(Nc1ccccc1)N[C@H](C(=O)NCC1(CC1)c1ccncc1)[*:1]
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC1(c2ccncc2)CC1 c1cc(ccn1)[*:1] CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC1(CC1)[*:1]
Cc1c(S[C@H](C)C(C)C)nn2c(C(F)(F)F)nnc2c1C FC(F)(F)[*:1] Cc1c(nn2c(nnc2c1C)[*:1])S[C@H](C)C(C)C
Cc1c(S[C@H](C)C(C)C)nn2c(C(F)(F)F)nnc2c1C CC(C)[*:1] Cc1c(nn2c(nnc2c1C)C(F)(F)F)S[C@H](C)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C c1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1cc(C#N)cn1C(C)(C)C)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cc(C#N)cn1C(C)(C)C
C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C CC(C)(C)[*:1] C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C#N)cn1[*:1]
BrCc1ccc(C(Br)Br)cc1 BrC(Br)[*:1] BrCc1ccc(cc1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1ccccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)cc1Cl Cc1ccccc1[*:1] Cc1ccc(cc1Cl)N1C[C@H](CC1=O)C(=O)N[*:1]
CC1(C)CCC[C@@H]1n1c(C2CCCC2)[nH+]c2c1CCNC2 CC1(C)CCC[C@H]1[*:1] C1CCC(C1)c1[nH+]c2CNCCc2n1[*:1]
CC1(C)CCC[C@@H]1n1c(C2CCCC2)[nH+]c2c1CCNC2 C1CCC(C1)[*:1] CC1(C)CCC[C@@H]1n1c([nH+]c2CNCCc21)[*:1]
C[C@H](CN1CCOCC1)NC(=O)c1ccncc1Cl C1CN(CCO1)[*:1] C[C@H](C[*:1])NC(=O)c1ccncc1Cl
C#CCOc1ccc(C(=O)N2CCCc3ccccc32)cc1 C#CCO[*:1] O=C(c1ccc(cc1)[*:1])N1CCCc2ccccc21
C#CCOc1ccc(C(=O)N2CCCc3ccccc32)cc1 C#CC[*:1] O=C(c1ccc(cc1)O[*:1])N1CCCc2ccccc21
CC[C@H](C)C(=O)NCC1(c2ccc3c(c2)OCO3)CC1 CC[C@H](C)[*:1] O=C(NCC1(CC1)c1ccc2OCOc2c1)[*:1]
CCOc1ccc2nc(N[C@H](C[NH+](C)C)C(C)C)sc2c1 CC(C)[*:1] CCOc1ccc2nc(N[C@H](C[NH+](C)C)[*:1])sc2c1
CCOc1ccc2nc(N[C@H](C[NH+](C)C)C(C)C)sc2c1 CCO[*:1] CC(C)[C@@H](C[NH+](C)C)Nc1nc2ccc(cc2s1)[*:1]
Cc1ccc(-c2n[nH]cc2CN2C[C@@H](C)OC[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CO[C@H](C)CN1Cc1c[nH]nc1[*:1]
CC(C)[NH+]1CCC([NH+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)CC1 Fc1cccc(c1)[*:1] CC(C)[NH+]1CCC(CC1)[NH+](C)CC1CC[NH+](CC1)CC[*:1]
CC(C)[NH+]1CCC([NH+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)CC1 Fc1cccc(c1)CC[*:1] CC(C)[NH+]1CCC(CC1)[NH+](C)CC1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCC([NH+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)CC1 Fc1cccc(c1)C[*:1] CC(C)[NH+]1CCC(CC1)[NH+](C)CC1CC[NH+](CC1)C[*:1]
CC(C)[NH+]1CCC([NH+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)CC1 CC(C)[*:1] C[NH+](CC1CC[NH+](CCc2cccc(F)c2)CC1)C1CC[NH+](CC1)[*:1]
O=C(Cl)C1=Cc2ccccc2CC1=O O=C(Cl)[*:1] O=C1Cc2ccccc2C=C1[*:1]
Cc1cc2nc(C)c(=O)n(CCC(=O)Nc3cccc(C)c3C)c2cc1C Cc1cccc(c1C)[*:1] Cc1cc2nc(C)c(=O)n(CCC(=O)N[*:1])c2cc1C
CCCn1nccc1NC(=O)c1cnc(Oc2ccccc2)cn1 CCCn1nccc1[*:1] O=C(N[*:1])c1cnc(cn1)Oc1ccccc1
CCCn1nccc1NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] CCCn1nccc1NC(=O)c1cnc(cn1)[*:1]
CCCn1nccc1NC(=O)c1cnc(Oc2ccccc2)cn1 CCC[*:1] O=C(Nc1ccnn1[*:1])c1cnc(cn1)Oc1ccccc1
CCCn1nccc1NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CCCn1nccc1NC(=O)c1cnc(cn1)O[*:1]
CCOc1cc(/C=C(\Cl)C2=NC(=O)C3=C4CC[C@@H](C)C[C@@H]4SC3=N2)ccc1OC CCO[*:1] COc1ccc(/C=C(\Cl)C2N=C3S[C@H]4C[C@H](C)CCC4=C3C(=O)N=2)cc1[*:1]
COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cn1 COc1ccc(cn1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)Nc1ccc(Cl)cc1
COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cn1 Clc1ccc(cc1)[*:1] COc1ccc(cn1)NC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
Cc1ccc(N2CC[C@H](C(=O)N[C@H](c3ncc(C)s3)C3CC3)C2=O)cc1 C1CC1[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)N[C@H](c2ncc(C)s2)[*:1])C1=O
Cc1ccc(N2CC[C@H](C(=O)N[C@H](c3ncc(C)s3)C3CC3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cnc(s1)[C@@H](NC(=O)[C@H]1CCN(C1=O)[*:1])C1CC1
Cc1ccc(N2CC[C@H](C(=O)N[C@H](c3ncc(C)s3)C3CC3)C2=O)cc1 Cc1cnc(s1)[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)N[C@H](C2CC2)[*:1])C1=O
c1cc2c(cc1-c1noc(C3CCC3)n1)nnn2CC[NH+]1CCCCC1 C1CC(C1)[*:1] c1cc2c(cc1-c1noc(n1)[*:1])nnn2CC[NH+]1CCCCC1
CCC[C@@H](C(=O)Nc1cccc2cn[nH]c12)[NH+](C)C CCC[*:1] C[NH+](C)[C@H](C(=O)Nc1cccc2cn[nH]c12)[*:1]
CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3cccs3)CO[C@H]12 c1csc(c1)[*:1] CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NS(=O)(=O)[*:1]
CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3cccs3)CO[C@H]12 CCNC(=O)O[*:1] O=S(=O)(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2[*:1])c1cccs1
Cc1cc(C)cc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 NS(=O)(=O)[*:1] Cc1cc(C)cc(c1)NC(=O)NCc1ccc(cc1)[*:1]
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1[C@H](C)CCC[C@H]1C C1CC1[*:1] C[C@@H](Sc1nnc(n1C1CC1)[*:1])C(=O)N1[C@H](C)CCC[C@H]1C
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1[C@H](C)CCC[C@H]1C C1CC1[*:1] C[C@@H](Sc1nnc(C2CC2)n1[*:1])C(=O)N1[C@H](C)CCC[C@H]1C
Cc1noc(C)c1COc1ccccc1C(=O)NNc1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1COc1ccccc1C(=O)NN[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)NNc1ccccc1 Cc1noc(C)c1C[*:1] O=C(NNc1ccccc1)c1ccccc1O[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)NNc1ccccc1 Cc1noc(C)c1[*:1] O=C(NNc1ccccc1)c1ccccc1OC[*:1]
Cc1nc(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)cs1 Cc1nc(cs1)[*:1] CC(C)c1nnc(o1)C1CCN(CC1)C(=O)[*:1]
Cc1nc(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)cs1 CC(C)[*:1] Cc1nc(cs1)C(=O)N1CCC(CC1)c1nnc(o1)[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(C)c2)cc1OC Cc1cccc(c1)[*:1] COc1ccc(cc1OC)NC(=O)[C@@H]1CCCN1C(=O)N[*:1]
CCCNC(=O)Cc1csc(Nc2ccccc2)n1 CCCNC(=O)[*:1] c1ccc(cc1)Nc1nc(cs1)C[*:1]
CCCNC(=O)Cc1csc(Nc2ccccc2)n1 CCC[*:1] O=C(Cc1csc(n1)Nc1ccccc1)N[*:1]
CCCNC(=O)Cc1csc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] CCCNC(=O)Cc1csc(n1)N[*:1]
Cc1nn(C)c(Cl)c1C[NH+](C)CC1CCCC1 C1CCC(C1)[*:1] Cc1nn(C)c(Cl)c1C[NH+](C)C[*:1]
CCC[C@@H](O)c1ccn(C[C@@H]2CSc3ccccc32)c1 CCC[C@@H](O)[*:1] c1ccc2c(c1)SC[C@H]2Cn1ccc(c1)[*:1]
CCC[C@@H](O)c1ccn(C[C@@H]2CSc3ccccc32)c1 CCC[*:1] O[C@@H](c1ccn(c1)C[C@@H]1CSc2ccccc21)[*:1]
Cn1cc(COC(=O)c2ccc(Br)cc2F)cn1 Cn1cc(cn1)[*:1] O=C(OC[*:1])c1ccc(Br)cc1F
CC[C@H]1CSC(N[C@H](C)COC)=[NH+]1 COC[*:1] CC[C@H]1CSC(N[C@H](C)[*:1])=[NH+]1
COc1cccc(-n2ccnc2S[C@@H](C)C(=O)Nc2cccc3ncccc23)c1 COc1cccc(c1)[*:1] C[C@H](Sc1nccn1[*:1])C(=O)Nc1cccc2ncccc12
NC(=O)C(NC(=O)C[C@H]1C=CCC1)C(N)=O NC(=O)[*:1] NC(=O)C(NC(=O)C[C@H]1C=CCC1)[*:1]
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CCCN1C(=O)c1ccco1 c1coc(c1)[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CCCN1C(=O)[*:1]
CCOc1ccccc1NC(=O)c1cc2sccc2n1CC CCO[*:1] CCn1c(cc2sccc21)C(=O)Nc1ccccc1[*:1]
COCCCNC(=O)N(C[C@@H]1C[C@H]1C)C(C)C CC(C)[*:1] COCCCNC(=O)N(C[C@@H]1C[C@H]1C)[*:1]
COCCCNC(=O)N(C[C@@H]1C[C@H]1C)C(C)C COC[*:1] CC(C)N(C[C@@H]1C[C@H]1C)C(=O)NCC[*:1]
COCCCNC(=O)N(C[C@@H]1C[C@H]1C)C(C)C COCCC[*:1] CC(C)N(C[C@@H]1C[C@H]1C)C(=O)N[*:1]
COCCCNC(=O)N(C[C@@H]1C[C@H]1C)C(C)C COCC[*:1] CC(C)N(C[C@@H]1C[C@H]1C)C(=O)NC[*:1]
COCCCNC(=O)N(C[C@@H]1C[C@H]1C)C(C)C C[C@@H]1C[C@H]1C[*:1] COCCCNC(=O)N(C(C)C)[*:1]
CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCC1 COc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1ccccc1NC(=O)[*:1])C(=O)N1CCCC1
CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(cc1)OC)[*:1]
Cn1cc(S(=O)(=O)/N=C(\[O-])c2ccccc2Cc2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)S(=O)(=O)/N=C(\[O-])c1ccccc1C[*:1]
Cn1cc(S(=O)(=O)/N=C(\[O-])c2ccccc2Cc2ccccc2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(/N=C(\[O-])c1ccccc1Cc1ccccc1)[*:1]
Cn1cc(S(=O)(=O)/N=C(\[O-])c2ccccc2Cc2ccccc2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)S(=O)(=O)/N=C(\[O-])c1ccccc1[*:1]
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cccc(c1)S(=O)(=O)NC[C@H]1CCCO1)[*:1]
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)c1ccccc1 C1CO[C@H](C1)C[*:1] C[C@@H](NC(=O)c1cccc(c1)S(=O)(=O)N[*:1])c1ccccc1
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)c1ccccc1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)c1cccc(c1)S(=O)(=O)NC[*:1])c1ccccc1
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)NC[C@H]1CCCO1
O=c1c2oc3nc4c(cc3c2ncn1CCc1ccccc1)CCCC4 c1ccc(cc1)C[*:1] O=c1c2oc3nc4CCCCc4cc3c2ncn1C[*:1]
O=c1c2oc3nc4c(cc3c2ncn1CCc1ccccc1)CCCC4 c1ccc(cc1)CC[*:1] O=c1c2oc3nc4CCCCc4cc3c2ncn1[*:1]
O=c1c2oc3nc4c(cc3c2ncn1CCc1ccccc1)CCCC4 c1ccc(cc1)[*:1] O=c1c2oc3nc4CCCCc4cc3c2ncn1CC[*:1]
COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1nn(c(C)c1S(=O)(=O)N1CCC(C)CC1)S(=O)(=O)[*:1]
Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC(C(=O)NC4CCCCCCC4)CC3)c2)no1 O=C(NC1CCCCCCC1)[*:1] Cc1nc(no1)-c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC(C(=O)NC4CCCCCCC4)CC3)c2)no1 C1CCCC(CCC1)[*:1] Cc1nc(no1)-c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1nc(-c2ccc(Cl)c(S(=O)(=O)N3CCC(C(=O)NC4CCCCCCC4)CC3)c2)no1 Cc1nc(no1)[*:1] O=C(NC1CCCCCCC1)C1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
COC(=O)c1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)ccc1Cl CS(=O)(=O)[*:1] COC(=O)c1cc(ccc1Cl)NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)ccc1Cl COC(=O)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
COC1CCN(Cn2nc(Nc3cccc(F)c3)sc2=S)CC1 Fc1cccc(c1)[*:1] COC1CCN(CC1)Cn1nc(N[*:1])sc1=S
Cc1nccn1-c1ccc(C(=O)/C=C/C2=Cc3ccccc3OC2)cc1 Cc1nccn1[*:1] O=C(/C=C/C1=Cc2ccccc2OC1)c1ccc(cc1)[*:1]
Cc1cc(-c2nc3ccccc3[nH]2)ccc1-n1cnnc1 c1nncn1[*:1] Cc1cc(ccc1[*:1])-c1nc2ccccc2[nH]1
CO[C@H]1CCCC[C@@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 CO[C@H]1CCCC[C@H]1[*:1] C[NH+]1CCN(CC1)Cc1cccc(c1)C(=O)N[*:1]
CCN(CC(C)(C)O)C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CCN(CC(C)(C)O)C(=O)CSc1nnc(C)n1[*:1]
CCN(CC(C)(C)O)C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C CC(C)(O)[*:1] CCN(C[*:1])C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C
CCN(CC(C)(C)O)C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C CC(C)(O)C[*:1] CCN(C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)[*:1]
C[C@H](Cc1cccs1)N(C)C[C@](C)([NH3+])C1CC1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C[C@](C)([NH3+])C1CC1
C[C@H](Cc1cccs1)N(C)C[C@](C)([NH3+])C1CC1 C1CC1[*:1] C[C@H](Cc1cccs1)N(C)C[C@](C)([NH3+])[*:1]
CCOCCn1c(COc2ccc(C)cc2C)nc2ccccc21 Cc1ccc(c(C)c1)[*:1] CCOCCn1c(CO[*:1])nc2ccccc21
CCOCCn1c(COc2ccc(C)cc2C)nc2ccccc21 CCO[*:1] Cc1ccc(OCc2nc3ccccc3n2CC[*:1])c(C)c1
CCOCCn1c(COc2ccc(C)cc2C)nc2ccccc21 CCOCC[*:1] Cc1ccc(OCc2nc3ccccc3n2[*:1])c(C)c1
CCOCCn1c(COc2ccc(C)cc2C)nc2ccccc21 CCOC[*:1] Cc1ccc(OCc2nc3ccccc3n2C[*:1])c(C)c1
CN(C)C(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)C=C[*:1]
CN(C)C(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 CN(C)C(=O)[*:1] O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
CN1C(=O)COc2ccc(NC(=O)CCCC(C)(C)C)cc21 CC(C)(C)[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)CCC[*:1]
CN1C(=O)COc2ccc(NC(=O)CCCC(C)(C)C)cc21 CC(C)(C)CCC[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)[*:1]
CN1C(=O)COc2ccc(NC(=O)CCCC(C)(C)C)cc21 CC(C)(C)CC[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)C[*:1]
CN1C(=O)COc2ccc(NC(=O)CCCC(C)(C)C)cc21 CC(C)(C)C[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)CC[*:1]
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)o1 Clc1ccc(cc1)[*:1] Cc1cc(ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N[*:1])C2=O)o1)C(=O)[O-]
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)o1 Cc1cc(ccc1[*:1])C(=O)[O-] O=C(CN1C(=O)S/C(=C/c2ccc(o2)[*:1])C1=O)Nc1ccc(Cl)cc1
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)o1 O=C([O-])[*:1] Cc1cc(ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)o1)[*:1]
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)o1 O=C(Nc1ccc(Cl)cc1)[*:1] Cc1cc(ccc1-c1ccc(/C=C2/SC(=O)N(C[*:1])C2=O)o1)C(=O)[O-]
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)o1 O=C(C[*:1])Nc1ccc(Cl)cc1 Cc1cc(ccc1-c1ccc(/C=C2/SC(=O)N(C2=O)[*:1])o1)C(=O)[O-]
O=C(NCCc1ccco1)c1cc2c([nH]c1=O)CCCC2 c1coc(c1)CC[*:1] O=C(N[*:1])c1cc2CCCCc2[nH]c1=O
O=C(NCCc1ccco1)c1cc2c([nH]c1=O)CCCC2 c1coc(c1)C[*:1] O=C(NC[*:1])c1cc2CCCCc2[nH]c1=O
O=C(NCCc1ccco1)c1cc2c([nH]c1=O)CCCC2 c1coc(c1)[*:1] O=C(NCC[*:1])c1cc2CCCCc2[nH]c1=O
Cc1ccnc(NNC(=O)c2cccc(OCc3c(C)noc3C)c2)c1 Cc1noc(C)c1C[*:1] Cc1ccnc(c1)NNC(=O)c1cccc(c1)O[*:1]
Cc1ccnc(NNC(=O)c2cccc(OCc3c(C)noc3C)c2)c1 Cc1noc(C)c1[*:1] Cc1ccnc(c1)NNC(=O)c1cccc(c1)OC[*:1]
Cc1ccnc(NNC(=O)c2cccc(OCc3c(C)noc3C)c2)c1 Cc1ccnc(c1)[*:1] Cc1noc(C)c1COc1cccc(c1)C(=O)NN[*:1]
CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)c(OC)c2)/C(=N/c2ccc(Cl)cc2)S1 COc1ccc(cc1OC)[*:1] CNC(=O)[C@@H]1CC(=O)N(C[*:1])/C(=N/c2ccc(Cl)cc2)S1
CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)c(OC)c2)/C(=N/c2ccc(Cl)cc2)S1 CNC(=O)[*:1] COc1ccc(cc1OC)CN1C(=O)C[C@H](S/C1=N\c1ccc(Cl)cc1)[*:1]
CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)c(OC)c2)/C(=N/c2ccc(Cl)cc2)S1 Clc1ccc(cc1)[*:1] CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)c(c2)OC)C(=N[*:1])S1
C[C@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CC(=O)[O-] C[C@H]1OCC[C@@H]1[*:1] O=C([O-])C[C@H]1CCCCN1C(=O)[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CC(=O)[O-] O=C([O-])[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CC(=O)[O-] O=C([O-])C[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1[*:1]
Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(NC[C@@H]2CCCO2)=NC1=O Cc1c(Cl)cccc1[*:1] O=C(C[C@@H]1SC(=NC1=O)NC[C@@H]1CCCO1)N[*:1]
Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(NC[C@@H]2CCCO2)=NC1=O C1CO[C@@H](C1)[*:1] Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=NC1=O)NC[*:1]
Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(NC[C@@H]2CCCO2)=NC1=O C1CO[C@@H](C1)C[*:1] Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=NC1=O)N[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)cc1C c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)[C@@H]1CCCO[C@H]1[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1
CC[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@@H]1[*:1])C(=O)NCCCCn1cc[nH+]c1
Cc1csc(N(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N(C(=O)c1cccc(c1)NC(=O)CCn1cc[nH+]c1)[*:1]
Cc1csc(N(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c2ccccc2)n1 Cc1csc(n1)[*:1] O=C(CCn1cc[nH+]c1)Nc1cccc(c1)C(=O)N(c1ccccc1)[*:1]
C=CCN1C(=O)N[C@H](c2cc(OC)ccc2OC)C2=C1CN(Cc1cccnc1)C2=O C=CC[*:1] COc1ccc(OC)c(c1)[C@H]1NC(=O)N(C2CN(Cc3cccnc3)C(=O)C=21)[*:1]
C=CCN1C(=O)N[C@H](c2cc(OC)ccc2OC)C2=C1CN(Cc1cccnc1)C2=O c1cncc(c1)C[*:1] C=CCN1C(=O)N[C@@H](C2C(=O)N(CC=21)[*:1])c1cc(ccc1OC)OC
C=CCN1C(=O)N[C@H](c2cc(OC)ccc2OC)C2=C1CN(Cc1cccnc1)C2=O c1cncc(c1)[*:1] C=CCN1C(=O)N[C@@H](C2C(=O)N(CC=21)C[*:1])c1cc(ccc1OC)OC
C=CCN1C(=O)N[C@H](c2cc(OC)ccc2OC)C2=C1CN(Cc1cccnc1)C2=O COc1ccc(OC)c(c1)[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CC=21)Cc1cccnc1)[*:1]
CC(C)CN1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 c1ccc(cc1)C[*:1] CC(C)CN1CCN(CC1)C(=O)/C=C/c1cn(nc1-c1cccnc1)[*:1]
CC(C)CN1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 CC(C)[*:1] O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(CC1)C[*:1]
CC(C)CN1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 c1ccc(cc1)[*:1] CC(C)CN1CCN(CC1)C(=O)/C=C/c1cn(C[*:1])nc1-c1cccnc1
CC(C)CN1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 c1cncc(c1)[*:1] CC(C)CN1CCN(CC1)C(=O)/C=C/c1cn(Cc2ccccc2)nc1[*:1]
CC(C)CN1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 CC(C)C[*:1] O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(CC1)[*:1]
CC(C)(C)N1CC(=O)Nc2cc(Br)ccc21 CC(C)(C)[*:1] O=C1CN(c2ccc(Br)cc2N1)[*:1]
O=c1c2ccccc2ncn1CN1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=c1c2ccccc2ncn1CN1CCN(CC1)[*:1]
CCN(C(=O)CN1CCN(c2ncccn2)CC1)[C@H]1CCOC(C)(C)C1 c1cnc(nc1)[*:1] CCN(C(=O)CN1CCN(CC1)[*:1])[C@H]1CCOC(C)(C)C1
CC[C@H](c1ccncc1)N(C)C(=O)Nc1c(C)nn(CCOC)c1C COCC[*:1] CC[C@H](c1ccncc1)N(C)C(=O)Nc1c(C)nn(c1C)[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)Nc1c(C)nn(CCOC)c1C COC[*:1] CC[C@H](c1ccncc1)N(C)C(=O)Nc1c(C)nn(C[*:1])c1C
CC[C@H](c1ccncc1)N(C)C(=O)Nc1c(C)nn(CCOC)c1C c1cc(ccn1)[*:1] CC[C@H](N(C)C(=O)Nc1c(C)nn(CCOC)c1C)[*:1]
COC(=O)c1cccc(CCNS(=O)(=O)c2cc(F)ccc2Cl)c1 Fc1ccc(Cl)c(c1)[*:1] COC(=O)c1cccc(c1)CCNS(=O)(=O)[*:1]
COC(=O)c1cccc(CCNS(=O)(=O)c2cc(F)ccc2Cl)c1 COC(=O)[*:1] O=S(=O)(NCCc1cccc(c1)[*:1])c1cc(F)ccc1Cl
O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)N1CC[C@H](Oc2cccnc2)C1 c1cncc(c1)O[*:1] O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)N1CC[C@H](C1)[*:1]
O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)N1CC[C@H](Oc2cccnc2)C1 c1cncc(c1)[*:1] O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)N1CC[C@@H](C1)O[*:1]
C=CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2CCOC)cc1 COCC[*:1] C=CCOc1ccc(cc1)[C@@]1(C)Nc2ccccc2C(=O)N1[*:1]
C=CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2CCOC)cc1 C=CCO[*:1] COCCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(cc1)[*:1]
C=CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2CCOC)cc1 C=CC[*:1] COCCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(cc1)O[*:1]
C=CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2CCOC)cc1 COC[*:1] C=CCOc1ccc(cc1)[C@@]1(C)Nc2ccccc2C(=O)N1C[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](O)C2)o1 CC(C)(C)[*:1] O=C(c1ccc(o1)S(=O)(=O)N[*:1])N1CCC[C@@H](O)C1
COCC[C@H](C)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 COC[*:1] CC(C)c1cnc(o1)-c1ccc(cc1)NC(=O)[C@@H](C)C[*:1]
COCC[C@H](C)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 CC(C)[*:1] COCC[C@H](C)C(=O)Nc1ccc(cc1)-c1ncc(o1)[*:1]
COCC[C@H](C)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 COCC[C@H](C)[*:1] CC(C)c1cnc(o1)-c1ccc(cc1)NC(=O)[*:1]
COCC[C@H](C)C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 COCC[*:1] CC(C)c1cnc(o1)-c1ccc(cc1)NC(=O)[C@@H](C)[*:1]
C[C@H]1CCCCN1C(=O)Cc1cccc(OCC#N)c1 N#CCO[*:1] C[C@H]1CCCCN1C(=O)Cc1cccc(c1)[*:1]
C[C@H]1CCCCN1C(=O)Cc1cccc(OCC#N)c1 N#CC[*:1] C[C@H]1CCCCN1C(=O)Cc1cccc(c1)O[*:1]
Cc1ccc(NC(=O)OC(C)(C)C)c(OCc2nsc(N(C)C)n2)c1 CN(C)c1nc(ns1)[*:1] Cc1ccc(NC(=O)OC(C)(C)C)c(c1)OC[*:1]
Cc1ccc(NC(=O)OC(C)(C)C)c(OCc2nsc(N(C)C)n2)c1 CN(C)[*:1] Cc1ccc(NC(=O)OC(C)(C)C)c(c1)OCc1nsc(n1)[*:1]
Cc1ccc(NC(=O)OC(C)(C)C)c(OCc2nsc(N(C)C)n2)c1 CC(C)(C)OC(=O)N[*:1] Cc1ccc(c(c1)OCc1nsc(n1)N(C)C)[*:1]
Cc1ccc(NC(=O)OC(C)(C)C)c(OCc2nsc(N(C)C)n2)c1 CC(C)(C)[*:1] Cc1ccc(NC(=O)O[*:1])c(c1)OCc1nsc(n1)N(C)C
CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)c(C)c1 Fc1ccccc1[*:1] CC(=O)Nc1ccc(c(C)c1)S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)c(C)c1 CC(=O)N[*:1] Cc1cc(ccc1S(=O)(=O)NCC1CCN(CC1)C(=O)c1ccccc1F)[*:1]
CCCCN(C)C(=O)C(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl CCC[*:1] CC(C)NC(=O)c1ccc(Cl)c(c1)NC(=O)C(=O)N(C)C[*:1]
CCCCN(C)C(=O)C(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl CCCC[*:1] CC(C)NC(=O)c1ccc(Cl)c(c1)NC(=O)C(=O)N(C)[*:1]
CCCCN(C)C(=O)C(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl CC(C)[*:1] CCCCN(C)C(=O)C(=O)Nc1cc(ccc1Cl)C(=O)N[*:1]
CCCCN(C)C(=O)C(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl CC(C)NC(=O)[*:1] CCCCN(C)C(=O)C(=O)Nc1cc(ccc1Cl)[*:1]
CSc1nc2nnc(C(=O)[O-])c([O-])n2n1 O=C([O-])[*:1] CSc1nc2nnc(c([O-])n2n1)[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)Nc2cccc(-c3nnco3)c2)o1 CCc1ccc(o1)[*:1] O=C(Nc1cccc(c1)-c1nnco1)N1CCOC[C@H]1[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)Nc2cccc(-c3nnco3)c2)o1 c1nnc(o1)[*:1] CCc1ccc(o1)[C@@H]1COCCN1C(=O)Nc1cccc(c1)[*:1]
COCC[NH2+]C[C@H](C)c1ccccc1Cl COCC[*:1] C[C@@H](C[NH2+][*:1])c1ccccc1Cl
COCC[NH2+]C[C@H](C)c1ccccc1Cl COC[*:1] C[C@@H](C[NH2+]C[*:1])c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NC[C@H](O)c1ccco1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)C(=O)NC[C@H](O)c1ccco1)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NC[C@H](O)c1ccco1 c1coc(c1)[*:1] Cc1cn(nc1NC(=O)C(=O)NC[C@H](O)[*:1])-c1ccccc1Cl
O=C(Cc1ccc2c(c1)OCCO2)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 FC(F)(F)[*:1] O=C(Cc1ccc2OCCOc2c1)N1CCC(CC1)c1cc(n2ncnc2n1)[*:1]
O=C(Cc1ccc2c(c1)OCCO2)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 c1cc2OCCOc2cc1[*:1] O=C(C[*:1])N1CCC(CC1)c1cc(n2ncnc2n1)C(F)(F)F
CNc1sc(S(=O)(=O)c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNc1sc(nc1S(=O)(=O)[*:1])S(=O)(=O)c1ccc(C)cc1
CNc1sc(S(=O)(=O)c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNc1sc(nc1S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)[*:1]
Cc1ccc(-c2nc(CNC(=O)Cc3cccc(C)c3)co2)cc1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)[*:1]
Cc1ccc(-c2nc(CNC(=O)Cc3cccc(C)c3)co2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)C[*:1]
Cc1ccc(-c2nc(CNC(=O)Cc3cccc(C)c3)co2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)CC(=O)NCc1coc(n1)[*:1]
COCc1cc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)ccc1F Fc1ccc(cc1)[*:1] COCc1cc(ccc1F)C(=O)N1C[C@H](C[C@@H]1C)[*:1]
COCc1cc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)ccc1F COC[*:1] C[C@H]1C[C@H](CN1C(=O)c1ccc(F)c(c1)[*:1])c1ccc(F)cc1
O=C(NCc1ccc(F)cc1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)[C@@H](N(C(=O)c1csnn1)C1CC1)[*:1]
O=C(NCc1ccc(F)cc1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1 C1CC1[*:1] O=C(NCc1ccc(F)cc1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)[*:1]
O=C(NCc1ccc(F)cc1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1
O=C(NCc1ccc(F)cc1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1
O=C(NCc1ccc(F)cc1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1 c1snnc1[*:1] O=C(NCc1ccc(F)cc1)[C@@H](c1ccc(Cl)cc1)N(C(=O)[*:1])C1CC1
c1cc(C2CC2)ccc1C[NH+](CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] c1cc(ccc1C[NH+](CC1CC[NH2+]CC1)[*:1])C1CC1
c1cc(C2CC2)ccc1C[NH+](CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] c1cc(ccc1C[NH+](CC1CC[NH2+]CC1)C1CC1)[*:1]
COc1cccc(Nc2noc3c2CN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC3)c1 COc1cccc(c1)N[*:1] CC(C)c1ccc(C(=O)N2CCc3onc(c3C2)[*:1])c(=O)[nH]1
COc1cccc(Nc2noc3c2CN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC3)c1 COc1cccc(c1)[*:1] CC(C)c1ccc(C(=O)N2CCc3onc(N[*:1])c3C2)c(=O)[nH]1
COc1cccc(Nc2noc3c2CN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC3)c1 CC(C)[*:1] COc1cccc(c1)Nc1noc2CCN(Cc12)C(=O)c1ccc([nH]c1=O)[*:1]
COc1cccc(Nc2noc3c2CN(C(=O)c2ccc(C(C)C)[nH]c2=O)CC3)c1 CC(C)c1ccc(c(=O)[nH]1)[*:1] COc1cccc(c1)Nc1noc2CCN(Cc12)C(=O)[*:1]
COCC[NH2+]C[C@](C)(O)c1ccc(Cl)c(OC)c1 COCC[*:1] COc1cc(ccc1Cl)[C@@](C)(O)C[NH2+][*:1]
COCC[NH2+]C[C@](C)(O)c1ccc(Cl)c(OC)c1 COC[*:1] COc1cc(ccc1Cl)[C@@](C)(O)C[NH2+]C[*:1]
Cc1ccccc1Cc1nc(CSCC2CCOCC2)no1 Cc1ccccc1[*:1] C1CC(CCO1)CSCc1noc(C[*:1])n1
Cc1ccccc1Cc1nc(CSCC2CCOCC2)no1 C1CC(CCO1)[*:1] Cc1ccccc1Cc1nc(CSC[*:1])no1
Cc1ccccc1Cc1nc(CSCC2CCOCC2)no1 C1CC(CCO1)C[*:1] Cc1ccccc1Cc1nc(CS[*:1])no1
CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1S(=O)(=O)C(C)C C1CO[C@@H](C1)[*:1] CCN(C[*:1])C(=O)Nc1ccccc1S(=O)(=O)C(C)C
CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1S(=O)(=O)C(C)C CC(C)S(=O)(=O)[*:1] CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1[*:1]
CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1S(=O)(=O)C(C)C CC(C)[*:1] CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1S(=O)(=O)[*:1]
CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1S(=O)(=O)C(C)C C1CO[C@@H](C1)C[*:1] CCN(C(=O)Nc1ccccc1S(=O)(=O)C(C)C)[*:1]
CCc1nn(C)c(OC)c1CN1CC[C@@H](c2ccccc2OC)C1 COc1ccccc1[*:1] CCc1nn(C)c(OC)c1CN1CC[C@@H](C1)[*:1]
CC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1cccc(c1)[*:1]
CC(C)[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 O=S1(=O)CC[C@@H](C1)[*:1] CC(C)[C@H](OC(=O)[*:1])c1cccc(c1)C(F)(F)F
CC(C)[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(c1)[*:1]
CC(C)[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 CC(C)[*:1] O=C(O[C@H](c1cccc(c1)C(F)(F)F)[*:1])[C@H]1CCS(=O)(=O)C1
O[C@@H](C/N=C/c1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](C/N=C/c1ccc(Cl)cc1)[*:1]
CC[C@](C)(NC(=O)[C@H]1CNCc2ccccc21)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)[C@H]1CNCc2ccccc21)[*:1]
Cc1noc(C)c1N(C)C(=O)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] Cc1noc(C)c1N(C)C(=O)C1CCC(=O)N(N=1)[*:1]
Cc1noc(C)c1N(C)C(=O)C1=NN(c2ccccc2)C(=O)CC1 Cc1noc(C)c1[*:1] CN(C(=O)C1CCC(=O)N(N=1)c1ccccc1)[*:1]
Cc1c(C(=O)N2CC[C@@H](c3ccccc3)C2)sc2nc[nH]c(=O)c12 c1ccc(cc1)[*:1] Cc1c(sc2nc[nH]c(=O)c12)C(=O)N1CC[C@@H](C1)[*:1]
O=C1N[C@@H](c2cnc(-c3cccnc3)s2)Nc2ncccc21 c1cncc(c1)[*:1] O=C1N[C@H](Nc2ncccc21)c1cnc(s1)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(F)cc2)NC(=S)N1 Cc1ccc(c(C)c1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1ccc(F)cc1
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(F)cc2)NC(=S)N1 Fc1ccc(cc1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1ccc(C)cc1C)[*:1]
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 O=C([O-])[*:1] O=C(CC[*:1])N1N=C(C[C@@H]1c1ccc2OCOc2c1)c1ccccc1
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C([O-])CCC(=O)N1N=C(C[C@@H]1c1ccc2OCOc2c1)[*:1]
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 O=C([O-])CC[*:1] O=C(N1N=C(C[C@@H]1c1ccc2OCOc2c1)c1ccccc1)[*:1]
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C([O-])CCC(=O)N1N=C(C[C@H]1[*:1])c1ccccc1
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 O=C([O-])C[*:1] O=C(C[*:1])N1N=C(C[C@@H]1c1ccc2OCOc2c1)c1ccccc1
C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N1CCCCC1 CC(C)(C)[*:1] C[C@H](Sc1nnc(o1)-c1ccc(cc1)[*:1])C(=O)N1CCCCC1
C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H](Sc1nnc(o1)-c1ccc(cc1)C(C)(C)C)[*:1]
C[C@H](NC(=O)[C@@H]1CCc2cn[nH]c2C1)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@H](NC(=O)[C@@H]1CCc2cn[nH]c2C1)c1ccc(cc1)[*:1]
CC(C)c1[nH+]ccn1CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] CC(C)c1[nH+]ccn1CC1CCN(CC1)S(=O)(=O)[*:1]
CC(C)c1[nH+]ccn1CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 CC(C)[*:1] O=S(=O)(c1ccc(Br)s1)N1CCC(CC1)Cn1cc[nH+]c1[*:1]
Cc1nnsc1C(=O)Nc1ccc(C[NH+]2CCS(=O)(=O)CC2)cc1 Cc1nnsc1[*:1] O=C(Nc1ccc(cc1)C[NH+]1CCS(=O)(=O)CC1)[*:1]
CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(=O)n(C)n1 Cn1nc(ccc1=O)[*:1] CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[*:1]
CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(=O)n(C)n1 CCC[*:1] Cn1nc(ccc1=O)C(=O)N(C[C@@H]1COc2ccccc2O1)[*:1]
CSCC(=O)NNC(=O)c1nn(-c2ccccc2F)c2c1CCC2 CSC[*:1] O=C(NNC(=O)[*:1])c1nn(-c2ccccc2F)c2CCCc12
CSCC(=O)NNC(=O)c1nn(-c2ccccc2F)c2c1CCC2 Fc1ccccc1[*:1] CSCC(=O)NNC(=O)c1nn(c2CCCc12)[*:1]
CC[NH2+][C@H](C)c1sc(N(CC(C)C)C2CCCC2)nc1C C1CCC(C1)[*:1] CC[NH2+][C@H](C)c1sc(nc1C)N(CC(C)C)[*:1]
CC[NH2+][C@H](C)c1sc(N(CC(C)C)C2CCCC2)nc1C CC(C)[*:1] CC[NH2+][C@H](C)c1sc(nc1C)N(C[*:1])C1CCCC1
CC[NH2+][C@H](C)c1sc(N(CC(C)C)C2CCCC2)nc1C CC(C)C[*:1] CC[NH2+][C@H](C)c1sc(nc1C)N(C1CCCC1)[*:1]
C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)N1CC[NH+](CC1)C1CC1)[*:1]
C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)Oc1ccccc1 C1CC1[*:1] C[C@@H](CNC(=O)N1CC[NH+](CC1)[*:1])Oc1ccccc1
C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N1CC[NH+](CC1)C1CC1)O[*:1]
O=C(C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)Nc1cccc2ccccc12 O=C(N[*:1])c1ccc(F)cc1 O=C(C[NH+]1CCC(CC1)[*:1])Nc1cccc2ccccc12
O=C(C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)Nc1cccc2ccccc12 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)[*:1])Nc1cccc2ccccc12
O=C(C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)Nc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)c1ccc(F)cc1)N[*:1]
CC(=O)Oc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 CC(=O)O[*:1] O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(cc1)[*:1]
CCOC(=O)c1sc2ncn3nc([C@@H](C)Cn4cc(Br)cn4)nc3c2c1C Brc1cnn(c1)[*:1] CCOC(=O)c1sc2ncn3nc(nc3c2c1C)[C@@H](C)C[*:1]
CCOC(=O)c1sc2ncn3nc([C@@H](C)Cn4cc(Br)cn4)nc3c2c1C CCOC(=O)[*:1] Cc1c(sc2ncn3nc(nc3c12)[C@@H](C)Cn1cc(Br)cn1)[*:1]
CCOC(=O)c1sc2ncn3nc([C@@H](C)Cn4cc(Br)cn4)nc3c2c1C Brc1cnn(c1)C[*:1] CCOC(=O)c1sc2ncn3nc(nc3c2c1C)[C@@H](C)[*:1]
O=C(NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)c1cc[n+]([O-])cc1 [O-][n+]1ccc(cc1)[*:1] O=C(NC[C@H]1Cc2cc(cc(Cl)c2O1)-c1ccsc1)[*:1]
O=C(NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)c1cc[n+]([O-])cc1 c1cc(cs1)[*:1] O=C(NC[C@H]1Cc2cc(cc(Cl)c2O1)[*:1])c1cc[n+]([O-])cc1
CCCC(C)(C)[NH2+]Cc1cnc(-c2ccccn2)s1 CCCC(C)(C)[*:1] c1ccc(nc1)-c1ncc(C[NH2+][*:1])s1
CCCC(C)(C)[NH2+]Cc1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] CCCC(C)(C)[NH2+]Cc1cnc(s1)[*:1]
CCCC(C)(C)[NH2+]Cc1cnc(-c2ccccn2)s1 CCC[*:1] CC(C)([NH2+]Cc1cnc(s1)-c1ccccn1)[*:1]
CS(=O)(=O)N[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 c1ccc(cc1)[*:1] CS(=O)(=O)N[C@H]1CCN(Cc2cn(nc2-c2ccncc2)[*:1])C1
CS(=O)(=O)N[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 c1cc(ccn1)[*:1] CS(=O)(=O)N[C@H]1CCN(Cc2cn(nc2[*:1])-c2ccccc2)C1
CS(=O)(=O)N[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 CS(=O)(=O)N[*:1] c1ccc(cc1)-n1cc(CN2CC[C@@H](C2)[*:1])c(n1)-c1ccncc1
C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 C[NH+](C)C[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cn(C)nc2C(C)(C)C)C1 CN(C)C(=O)[*:1] Cn1cc(C(=O)N2CCC[C@H](C2)[*:1])c(n1)C(C)(C)C
CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cn(C)nc2C(C)(C)C)C1 CC(C)(C)[*:1] CN(C)C(=O)[C@@H]1CCCN(C1)C(=O)c1cn(C)nc1[*:1]
CCOC(=O)CNCc1cc(Cl)ccc1[N+](=O)[O-] CCOC(=O)C[*:1] O=[N+]([O-])c1ccc(Cl)cc1CN[*:1]
CCOC(=O)CNCc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOC(=O)CNCc1cc(Cl)ccc1[*:1]
CCOC(=O)CNCc1cc(Cl)ccc1[N+](=O)[O-] CCOC(=O)[*:1] O=[N+]([O-])c1ccc(Cl)cc1CNC[*:1]
C[C@H](OC(=O)c1cn(C)nc1-c1cccs1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](OC(=O)c1cn(C)nc1-c1cccs1)[*:1]
C[C@H](OC(=O)c1cn(C)nc1-c1cccs1)c1cccnc1 c1csc(c1)[*:1] C[C@H](OC(=O)c1cn(C)nc1[*:1])c1cccnc1
CC[C@H](Sc1ccccc1)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CC[C@H](Sc1ccccc1)C(=O)NC[C@H]1CCCN(C1)[*:1]
CC[C@H](Sc1ccccc1)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1ccc(cc1)S[*:1] CC[C@H](C(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
CC[C@H](Sc1ccccc1)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1ccc(cc1)[*:1] CC[C@H](S[*:1])C(=O)NC[C@H]1CCCN(C1)c1ncccn1
C[C@H](NCCc1n[nH]c(-c2ccco2)n1)c1ccccn1 c1coc(c1)[*:1] C[C@H](NCCc1n[nH]c(n1)[*:1])c1ccccn1
C[C@H](NCCc1n[nH]c(-c2ccco2)n1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](NCCc1n[nH]c(n1)-c1ccco1)[*:1]
CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc(c1)[*:1]
CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc(c1)C[*:1]
COc1ccc(-c2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(cs1)[*:1]
COc1ccc(-c2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)COc1ccccc1[*:1]
COc1ccc(-c2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)CO[*:1]
CC(C)(C)OC(=O)NCc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)NCc1cccc(c1)NC(=O)N1CCN(CC1)[*:1]
CC(C)(C)OC(=O)NCc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1 CC(C)(C)OC(=O)N[*:1] O=C(Nc1cccc(c1)C[*:1])N1CCN(CC1)Cc1ccccc1
CC(C)(C)OC(=O)NCc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1 CC(C)(C)[*:1] O=C(NCc1cccc(c1)NC(=O)N1CCN(CC1)Cc1ccccc1)O[*:1]
CC(C)(C)OC(=O)NCc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)NCc1cccc(c1)NC(=O)N1CCN(CC1)C[*:1]
CC(C)(C)OC(=O)NCc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1 CC(C)(C)OC(=O)NC[*:1] O=C(Nc1cccc(c1)[*:1])N1CCN(CC1)Cc1ccccc1
CC(C)(C)NC(=O)[C@@H]1COc2ccccc2O1 CC(C)(C)[*:1] O=C(N[*:1])[C@@H]1COc2ccccc2O1
Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccnc2)cc1F c1cncc(c1)C[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N(CC[NH+](C)C)[*:1]
Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccnc2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccnc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccnc2)cc1F c1cncc(c1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N(CC[NH+](C)C)C[*:1]
C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cccc(c1)[*:1]
CCCCn1c(N)c(N(CC)C(=O)[C@@H]2C[C@@H]2C)c(=O)[nH]c1=O CCC[*:1] CCN(C(=O)[C@@H]1C[C@@H]1C)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCCCn1c(N)c(N(CC)C(=O)[C@@H]2C[C@@H]2C)c(=O)[nH]c1=O CCCC[*:1] CCN(C(=O)[C@@H]1C[C@@H]1C)c1c(N)n(c(=O)[nH]c1=O)[*:1]
Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 c1cc2OCCOc2cc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
CCCCN(c1ccccc1)c1nc(Cl)ncc1C CCC[*:1] Cc1cnc(Cl)nc1N(C[*:1])c1ccccc1
CCCCN(c1ccccc1)c1nc(Cl)ncc1C c1ccc(cc1)[*:1] CCCCN(c1nc(Cl)ncc1C)[*:1]
CCCCN(c1ccccc1)c1nc(Cl)ncc1C CCCC[*:1] Cc1cnc(Cl)nc1N(c1ccccc1)[*:1]
CCc1cccc(C)c1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 N#Cc1ccc(nc1)O[*:1] CCc1cccc(C)c1NC(=O)NC1CCC(CC1)[*:1]
CCc1cccc(C)c1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 N#Cc1ccc(nc1)[*:1] CCc1cccc(C)c1NC(=O)NC1CCC(CC1)O[*:1]
CCc1cccc(C)c1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 CCc1cccc(C)c1[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)N[*:1]
CC(C)(C)C1CC[NH+](c2ncc(N)cc2Br)CC1 CC(C)(C)[*:1] Nc1cnc(c(Br)c1)[NH+]1CCC(CC1)[*:1]
COc1ccccc1CNC(=O)CCn1c(=O)sc2ccccc21 COc1ccccc1[*:1] O=C(CCn1c(=O)sc2ccccc21)NC[*:1]
CC[C@@H]1NC(=O)[C@@H](C(C)C)N(CC2C(C)(C)C2(C)C)C1=O CC1(C)C(C1(C)C)[*:1] CC[C@@H]1NC(=O)[C@@H](C(C)C)N(C[*:1])C1=O
CC[C@@H]1NC(=O)[C@@H](C(C)C)N(CC2C(C)(C)C2(C)C)C1=O CC(C)[*:1] CC[C@@H]1NC(=O)[C@@H](N(CC2C(C)(C)C2(C)C)C1=O)[*:1]
CCSc1nnc(NC(=O)/C=C/Sc2ccccc2)s1 c1ccc(cc1)[*:1] CCSc1nnc(NC(=O)/C=C/S[*:1])s1
CCSc1nnc(NC(=O)/C=C/Sc2ccccc2)s1 CCS[*:1] O=C(/C=C/Sc1ccccc1)Nc1nnc(s1)[*:1]
O=C(NNC(=O)c1cc2ccccc2cc1OC(F)F)c1cccnc1 c1cncc(c1)[*:1] O=C(NNC(=O)[*:1])c1cc2ccccc2cc1OC(F)F
O=C(NNC(=O)c1cc2ccccc2cc1OC(F)F)c1cccnc1 FC(F)O[*:1] O=C(NNC(=O)c1cc2ccccc2cc1[*:1])c1cccnc1
O=C(NNC(=O)c1cc2ccccc2cc1OC(F)F)c1cccnc1 FC(F)[*:1] O=C(NNC(=O)c1cc2ccccc2cc1O[*:1])c1cccnc1
COc1cccc(C(=O)Nc2cccnc2-n2cccn2)n1 c1cnn(c1)[*:1] COc1cccc(n1)C(=O)Nc1cccnc1[*:1]
CCn1c([O-])c(C(=O)NCc2ccccc2OC)c(=O)c2ccccc21 COc1ccccc1[*:1] CCn1c([O-])c(C(=O)NC[*:1])c(=O)c2ccccc21
CCOc1ccccc1CCNC(=O)N(C)Cc1c(C)noc1C CCO[*:1] Cc1noc(C)c1CN(C)C(=O)NCCc1ccccc1[*:1]
CCOc1ccccc1CCNC(=O)N(C)Cc1c(C)noc1C Cc1noc(C)c1[*:1] CCOc1ccccc1CCNC(=O)N(C)C[*:1]
CCOc1ccccc1CCNC(=O)N(C)Cc1c(C)noc1C Cc1noc(C)c1C[*:1] CCOc1ccccc1CCNC(=O)N(C)[*:1]
C[C@@H]1CN(C(=O)N2CCC(CC(=O)[O-])CC2)C[C@@H](C)S1 O=C([O-])C[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)N1CCC(CC1)[*:1]
C[C@@H]1CN(C(=O)N2CCC(CC(=O)[O-])CC2)C[C@@H](C)S1 O=C([O-])[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)N1CCC(CC1)C[*:1]
CCCCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 Clc1ccccc1[*:1] CCCCn1c(N)c(C(=O)NC[*:1])c2nc3ccccc3nc21
CCCCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 Clc1ccccc1C[*:1] CCCCn1c(N)c(C(=O)N[*:1])c2nc3ccccc3nc21
CCCCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 CCC[*:1] Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1C[*:1]
CCCCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 CCCC[*:1] Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1[*:1]
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 c1ccc(cc1)OCC[*:1] Cc1cc(ccc1NC(=O)c1ccc(=O)n(n1)[*:1])C(=O)[O-]
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 c1ccc(cc1)O[*:1] Cc1cc(ccc1NC(=O)c1ccc(=O)n(CC[*:1])n1)C(=O)[O-]
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 c1ccc(cc1)OC[*:1] Cc1cc(ccc1NC(=O)c1ccc(=O)n(C[*:1])n1)C(=O)[O-]
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 O=C([O-])[*:1] Cc1cc(ccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)[*:1]
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)c1ccc(=O)n(CCO[*:1])n1)C(=O)[O-]
COc1cccc(C(=O)Nc2ccccc2Sc2nccn2C)c1F Cn1ccnc1S[*:1] COc1cccc(C(=O)Nc2ccccc2[*:1])c1F
COc1cccc(C(=O)Nc2ccccc2Sc2nccn2C)c1F Cn1ccnc1[*:1] COc1cccc(C(=O)Nc2ccccc2S[*:1])c1F
CCC(=O)Nc1nc(Sc2ccc(C)cc2)ns1 CCC(=O)N[*:1] Cc1ccc(cc1)Sc1nsc(n1)[*:1]
CCCCn1ccc2nc3ccn([C@H]4C=CN=N4)c(=O)c3cc2c1=O CCC[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1C[*:1])[C@H]1C=CN=N1
CCCCn1ccc2nc3ccn([C@H]4C=CN=N4)c(=O)c3cc2c1=O CCCC[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1[C@H]1C=CN=N1)[*:1]
COc1ccc2cc([C@@H]3CN(Cc4c[nH+]cn4CC(C)C)CCO3)ccc2c1 CC(C)C[*:1] COc1ccc2cc(ccc2c1)[C@@H]1CN(CCO1)Cc1c[nH+]cn1[*:1]
COc1ccc2cc([C@@H]3CN(Cc4c[nH+]cn4CC(C)C)CCO3)ccc2c1 CC(C)[*:1] COc1ccc2cc(ccc2c1)[C@@H]1CN(CCO1)Cc1c[nH+]cn1C[*:1]
O=C(c1ccc(-n2cnnn2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 c1nnnn1[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)[C@H]1CCS(=O)(=O)C1
CCCCN1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O O=[N+]([O-])[*:1] CCCCN1C[C@@H](CC1=O)C(=O)Nc1cc(ccc1C)[*:1]
CCCCN1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O CCCC[*:1] Cc1ccc(cc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1])[N+](=O)[O-]
CCCCN1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O CCC[*:1] Cc1ccc(cc1NC(=O)[C@@H]1CC(=O)N(C1)C[*:1])[N+](=O)[O-]
CC(=O)c1ccc(Oc2ccc(C(=O)NCC3(CO)CC3)cc2)cc1 OCC1(CC1)[*:1] CC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)NC[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)NCC3(CO)CC3)cc2)cc1 OCC1(CC1)C[*:1] CC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)N[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)NCC3(CO)CC3)cc2)cc1 CC(=O)[*:1] O=C(NCC1(CO)CC1)c1ccc(cc1)Oc1ccc(cc1)[*:1]
O=C1NC(=O)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 c1ccc(cc1)[*:1] O=C1NC(=O)[C@H](N1)c1cn(nc1-c1ccc(F)cc1)[*:1]
O=C1NC(=O)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 Fc1ccc(cc1)[*:1] O=C1NC(=O)[C@H](N1)c1cn(nc1[*:1])-c1ccccc1
COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)cc3)c3ccccn23)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)c1c(N)c(C(=O)N[*:1])c2ccccn12
COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)cc3)c3ccccn23)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)NC(=O)c1c(N)c(C(=O)[*:1])n2ccccc12
COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)cc3)c3ccccn23)cc1OC Cc1ccc(cc1)NC(=O)[*:1] COc1ccc(cc1OC)C(=O)c1c(N)c(c2ccccn12)[*:1]
[NH3+][C@]1(C(=O)[O-])CC[C@@H](Sc2ccc(Cl)c(Cl)c2)C1 O=C([O-])[*:1] [NH3+][C@@]1(CC[C@H](C1)Sc1ccc(Cl)c(Cl)c1)[*:1]
Cc1ccccc1-c1noc(=O)n1Cc1cccc(C(N)=O)c1 NC(=O)[*:1] Cc1ccccc1-c1noc(=O)n1Cc1cccc(c1)[*:1]
Cc1ccccc1-c1noc(=O)n1Cc1cccc(C(N)=O)c1 Cc1ccccc1[*:1] NC(=O)c1cccc(c1)Cn1c(noc1=O)[*:1]
O=[N+]([O-])c1c(Nc2ccc3c(c2)OCCO3)nc2ccccn12 O=[N+]([O-])[*:1] c1ccn2c(c(nc2c1)Nc1ccc2OCCOc2c1)[*:1]
CCOC(CNC(=O)[C@H](C)[NH3+])OCC CCO[*:1] CCOC(CNC(=O)[C@H](C)[NH3+])[*:1]
O=C(COc1ccccc1)N1CCN(c2ccc(Cl)cn2)CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=C(COc1ccccc1)N1CCN(c2ccc(Cl)cn2)CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=C(COc1ccccc1)N1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] O=C(COc1ccccc1)N1CCN(CC1)[*:1]
O=C(c1ccc(-n2cnnc2)cc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 c1nncn1[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)[C@@H]1CCC[C@H]1O
C[C@H]1Oc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2NC1=O c1ccc(cc1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)C1(CC1)[*:1]
C[S@](=O)C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)C[*:1] C[S@](=O)C[C@H](NC(=O)[*:1])c1ccccc1
C[S@](=O)C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccccc1 c1ccc(cc1)[*:1] C[S@](=O)C[C@H](NC(=O)C[C@@H]1CCCO1)[*:1]
C[S@](=O)C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccccc1 C[S@](=O)[*:1] O=C(C[C@@H]1CCCO1)N[C@@H](C[*:1])c1ccccc1
C[S@](=O)C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccccc1 C[S@](=O)C[*:1] O=C(C[C@@H]1CCCO1)N[C@H](c1ccccc1)[*:1]
C[S@](=O)C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)[*:1] C[S@](=O)C[C@H](NC(=O)C[*:1])c1ccccc1
COCc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1F Clc1ccc(cc1)[*:1] COCc1cc(ccc1F)C(=O)NC[*:1]
COCc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1F COC[*:1] O=C(NCc1ccc(Cl)cc1)c1ccc(F)c(c1)[*:1]
O=C(NCCc1ccsc1)[C@@H]1CC=CCC1 c1cc(cs1)[*:1] O=C(NCC[*:1])[C@@H]1CC=CCC1
NC(=O)CONC(=O)c1c[nH]c2ccc(F)cc12 NC(=O)[*:1] O=C(NOC[*:1])c1c[nH]c2ccc(F)cc12
NC(=O)CONC(=O)c1c[nH]c2ccc(F)cc12 NC(=O)C[*:1] O=C(NO[*:1])c1c[nH]c2ccc(F)cc12
Cc1[nH]c(-c2ccccc2[O-])[n+]([O-])c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(-c2ccccc2[O-])[n+]([O-])c1[*:1]
CCOc1cccc(/C=[NH+]/CC2(c3ccc(OC)cc3)CCOCC2)c1O CCO[*:1] COc1ccc(cc1)C1(CCOCC1)C/[NH+]=C/c1cccc(c1O)[*:1]
CCOc1cccc(/C=[NH+]/CC2(c3ccc(OC)cc3)CCOCC2)c1O COc1ccc(cc1)[*:1] CCOc1cccc(/C=[NH+]/CC2(CCOCC2)[*:1])c1O
CCC[NH2+][C@H](C)c1cnc(-c2ncc(Cl)cc2Cl)s1 CCC[*:1] C[C@@H]([NH2+][*:1])c1cnc(s1)-c1ncc(Cl)cc1Cl
O=C(/C=C/C1CC1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 FC(F)(F)[*:1] O=C(/C=C/C1CC1)N1CCN(CC1)c1nccc(n1)[*:1]
O=C(/C=C/C1CC1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 C1CC1[*:1] O=C(C=C[*:1])N1CCN(CC1)c1nccc(n1)C(F)(F)F
O=C(/C=C/C1CC1)N1CCN(c2nccc(C(F)(F)F)n2)CC1 C(=C[*:1])C1CC1 O=C(N1CCN(CC1)c1nccc(n1)C(F)(F)F)[*:1]
CCC[C@@H](O)[C@@]1(C#N)COc2ccccc2C1 CCC[C@@H](O)[*:1] N#C[C@]1(COc2ccccc2C1)[*:1]
CCC[C@@H](O)[C@@]1(C#N)COc2ccccc2C1 CCC[*:1] N#C[C@@]1(COc2ccccc2C1)[C@H](O)[*:1]
Cn1cccc1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 Cn1cccc1[*:1] C[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)[*:1]
CC/[NH+]=C(/NCc1ncnn1C)N1CCN(c2cccc(C)c2C)CC1 Cc1cccc(c1C)[*:1] CC/[NH+]=C(/NCc1ncnn1C)N1CCN(CC1)[*:1]
CC/[NH+]=C(/NCc1ncnn1C)N1CCN(c2cccc(C)c2C)CC1 Cn1ncnc1C[*:1] CC/[NH+]=C(/N[*:1])N1CCN(CC1)c1cccc(C)c1C
CC/[NH+]=C(/NCc1ncnn1C)N1CCN(c2cccc(C)c2C)CC1 Cn1ncnc1[*:1] CC/[NH+]=C(/NC[*:1])N1CCN(CC1)c1cccc(C)c1C
C=CCn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C CCCCC[*:1] C=CCn1c(nc2c1c(=O)[nH]c(=O)n2C)SCCC[*:1]
C=CCn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C CCCCCCC[*:1] C=CCn1c(nc2c1c(=O)[nH]c(=O)n2C)SC[*:1]
C=CCn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C C=CC[*:1] CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
C=CCn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C CCCCCC[*:1] C=CCn1c(nc2c1c(=O)[nH]c(=O)n2C)SCC[*:1]
C=CCn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C CCCC[*:1] C=CCn1c(nc2c1c(=O)[nH]c(=O)n2C)SCCCC[*:1]
C=CCn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C CCC[*:1] C=CCn1c(nc2c1c(=O)[nH]c(=O)n2C)SCCCCC[*:1]
C=CCn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C CCCCCCCC[*:1] C=CCn1c(nc2c1c(=O)[nH]c(=O)n2C)S[*:1]
O=S(=O)(c1cc(F)cc(F)c1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] O=S(=O)(c1cc(F)cc(F)c1)N(C[*:1])C1CCC1
O=S(=O)(c1cc(F)cc(F)c1)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] O=S(=O)(c1cc(F)cc(F)c1)N(CCC(F)(F)F)[*:1]
O=S(=O)(c1cc(F)cc(F)c1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] O=S(=O)(c1cc(F)cc(F)c1)N(C1CCC1)[*:1]
O=S(=O)(c1cc(F)cc(F)c1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] O=S(=O)(c1cc(F)cc(F)c1)N(CC[*:1])C1CCC1
C/C=C/C=C/C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+](C)C C/C=C/C=C[*:1] COc1ccc(cc1)[C@H](CNC(=O)[*:1])[NH+](C)C
C/C=C/C=C/C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+](C)C CC=C[*:1] COc1ccc(cc1)[C@H](CNC(=O)C=C[*:1])[NH+](C)C
COc1ccc(CN2CCN(C(=O)NCc3nc4ccccc4s3)CC2)cc1F COc1ccc(cc1F)[*:1] O=C(NCc1nc2ccccc2s1)N1CCN(CC1)C[*:1]
COc1ccc(CN2CCN(C(=O)NCc3nc4ccccc4s3)CC2)cc1F c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1F)CN1CCN(CC1)C(=O)NC[*:1]
Cc1cc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c2ccccc2n1 O=[N+]([O-])[*:1] Cc1cc(CN2C(=O)c3ccc(cc3C2=O)[*:1])c2ccccc2n1
Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N=C2[O-])c1 Cc1cccc(c1)OC[*:1] O=[N+]([O-])c1ccc(OC[*:1])c(/C=C2/SC(=S)N=C2[O-])c1
Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N=C2[O-])c1 O=[N+]([O-])[*:1] Cc1cccc(c1)OCCOc1ccc(cc1/C=C1/SC(=S)N=C1[O-])[*:1]
Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N=C2[O-])c1 Cc1cccc(c1)O[*:1] O=[N+]([O-])c1ccc(OCC[*:1])c(/C=C2/SC(=S)N=C2[O-])c1
Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N=C2[O-])c1 Cc1cccc(c1)[*:1] O=[N+]([O-])c1ccc(OCCO[*:1])c(/C=C2/SC(=S)N=C2[O-])c1
CCCNC(=O)CNc1ccc(C(=O)OC)c(F)c1F CCCNC(=O)[*:1] COC(=O)c1ccc(NC[*:1])c(F)c1F
CCCNC(=O)CNc1ccc(C(=O)OC)c(F)c1F COC(=O)[*:1] CCCNC(=O)CNc1ccc(c(F)c1F)[*:1]
CCCNC(=O)CNc1ccc(C(=O)OC)c(F)c1F CCC[*:1] COC(=O)c1ccc(NCC(=O)N[*:1])c(F)c1F
Cc1csc(=O)n1CCC(=O)NC[C@H](C)Oc1ccc(F)cc1 Cc1csc(=O)n1[*:1] C[C@@H](CNC(=O)CC[*:1])Oc1ccc(F)cc1
Cc1csc(=O)n1CCC(=O)NC[C@H](C)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1csc(=O)n1CCC(=O)NC[C@H](C)O[*:1]
Cn1cc(CCCSc2nnc3n(C)c4ccccc4n23)cn1 Cn1cc(cn1)[*:1] Cn1c2ccccc2n2c(nnc12)SCCC[*:1]
Cn1cc(CCCSc2nnc3n(C)c4ccccc4n23)cn1 Cn1cc(cn1)C[*:1] Cn1c2ccccc2n2c(nnc12)SCC[*:1]
Cc1c(OC(=O)CN2CSCC2=O)ccc2c(-c3ccccc3)cc(=O)oc12 O=C1CSCN1[*:1] Cc1c(ccc2c(cc(=O)oc12)-c1ccccc1)OC(=O)C[*:1]
Cc1c(OC(=O)CN2CSCC2=O)ccc2c(-c3ccccc3)cc(=O)oc12 O=C1CSCN1C[*:1] Cc1c(ccc2c(cc(=O)oc12)-c1ccccc1)OC(=O)[*:1]
Cc1c(OC(=O)CN2CSCC2=O)ccc2c(-c3ccccc3)cc(=O)oc12 c1ccc(cc1)[*:1] Cc1c(ccc2c(cc(=O)oc12)[*:1])OC(=O)CN1CSCC1=O
CC[C@@](C)(NC(=O)/C=C/c1cccc(F)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)/C=C/c1cccc(F)c1)[*:1]
Cc1nc(-n2cccc2)sc1C(=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)[*:1])-n1cccc1
Cc1nc(-n2cccc2)sc1C(=O)N1CCN(c2ccccc2Cl)CC1 c1ccn(c1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)c1ccccc1Cl)[*:1]
Cn1c(C(C)(C)C)nc2cc(NC(=O)C[C@H](O)c3cccc(F)c3)ccc21 CC(C)(C)[*:1] Cn1c(nc2cc(ccc21)NC(=O)C[C@H](O)c1cccc(F)c1)[*:1]
Cn1c(C(C)(C)C)nc2cc(NC(=O)C[C@H](O)c3cccc(F)c3)ccc21 Fc1cccc(c1)[*:1] Cn1c(nc2cc(ccc21)NC(=O)C[C@H](O)[*:1])C(C)(C)C
Cn1c(C(C)(C)C)nc2cc(NC(=O)C[C@H](O)c3cccc(F)c3)ccc21 O[C@H](c1cccc(F)c1)[*:1] Cn1c(nc2cc(ccc21)NC(=O)C[*:1])C(C)(C)C
CCc1n[nH]c(C(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])O2)n1 O=C([O-])[*:1] CCc1n[nH]c(n1)C(=O)NC[C@@H]1CC[C@@H](O1)[*:1]
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C(C)C)on1 CC(C)[*:1] Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(on1)[*:1]
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C(C)C)on1 Fc1ccc(cc1)C[*:1] Cc1nn(c(C)c1NC(=O)c1cc(on1)C(C)C)[*:1]
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C(C)C)on1 Fc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)c1cc(on1)C(C)C
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C(C)C)on1 CC(C)c1cc(no1)[*:1] Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)[*:1]
Cc1ncn(C[C@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)c1C Cc1ncn(c1C)[*:1] Cc1c(oc2ccccc12)[C@H](C)[NH2+][C@@H](C)C[*:1]
Cc1ccc(-c2cc3c(SCC(=O)N4CCCC4)nccn3n2)cc1C O=C(N1CCCC1)[*:1] Cc1ccc(cc1C)-c1cc2c(nccn2n1)SC[*:1]
Cc1ccc(-c2cc3c(SCC(=O)N4CCCC4)nccn3n2)cc1C O=C(C[*:1])N1CCCC1 Cc1ccc(cc1C)-c1cc2c(nccn2n1)S[*:1]
Cc1ccc(-c2cc3c(SCC(=O)N4CCCC4)nccn3n2)cc1C Cc1ccc(cc1C)[*:1] O=C(CSc1nccn2nc(cc12)[*:1])N1CCCC1
O=C1CC2(CCCC2)CN1CC(=O)N1CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C1CC2(CCCC2)CN1CC(=O)N1CC[C@@H]1[*:1]
COc1ccc(N(Cc2ccco2)C(=O)COc2ccc(Cl)c(C)c2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)N(C[*:1])C(=O)COc1ccc(Cl)c(C)c1
COc1ccc(N(Cc2ccco2)C(=O)COc2ccc(Cl)c(C)c2)cc1 Cc1cc(ccc1Cl)[*:1] COc1ccc(cc1)N(Cc1ccco1)C(=O)CO[*:1]
COc1ccc(N(Cc2ccco2)C(=O)COc2ccc(Cl)c(C)c2)cc1 COc1ccc(cc1)[*:1] Cc1cc(ccc1Cl)OCC(=O)N(Cc1ccco1)[*:1]
COc1ccc(N(Cc2ccco2)C(=O)COc2ccc(Cl)c(C)c2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)N(C(=O)COc1ccc(Cl)c(C)c1)[*:1]
COc1ccc(N(Cc2ccco2)C(=O)COc2ccc(Cl)c(C)c2)cc1 Cc1cc(ccc1Cl)O[*:1] COc1ccc(cc1)N(Cc1ccco1)C(=O)C[*:1]
CCS(=O)(=O)CCn1ccc(NC(=O)c2ccc(Cl)s2)n1 CCS(=O)(=O)C[*:1] O=C(Nc1ccn(C[*:1])n1)c1ccc(Cl)s1
CCS(=O)(=O)CCn1ccc(NC(=O)c2ccc(Cl)s2)n1 CCS(=O)(=O)[*:1] O=C(Nc1ccn(CC[*:1])n1)c1ccc(Cl)s1
CCS(=O)(=O)CCn1ccc(NC(=O)c2ccc(Cl)s2)n1 Clc1ccc(s1)[*:1] CCS(=O)(=O)CCn1ccc(n1)NC(=O)[*:1]
CCS(=O)(=O)CCn1ccc(NC(=O)c2ccc(Cl)s2)n1 CCS(=O)(=O)CC[*:1] O=C(Nc1ccn(n1)[*:1])c1ccc(Cl)s1
O=C(c1ccccc1)c1c(F)ccc([N+](=O)[O-])c1F c1ccc(cc1)[*:1] O=C(c1c(F)ccc(c1F)[N+](=O)[O-])[*:1]
O=C(c1ccccc1)c1c(F)ccc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] O=C(c1ccccc1)c1c(F)ccc(c1F)[*:1]
O=C(NC1COC1)c1c[nH]c2ccccc12 C1OCC1[*:1] O=C(N[*:1])c1c[nH]c2ccccc12
Cn1cc(NC(=O)NNc2ccccc2Cl)cn1 Cn1cc(cn1)[*:1] O=C(NNc1ccccc1Cl)N[*:1]
Cc1c(NC(=O)c2ccc(-n3cccn3)cc2)cccc1N1CCOC1=O c1cnn(c1)[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)c1ccc(cc1)[*:1]
Cc1c(NC(=O)c2ccc(-n3cccn3)cc2)cccc1N1CCOC1=O O=C1OCCN1[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(cc1)-n1cccn1
CC(C)[C@@H](CNC(=O)NC1(CCO)CCC1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H](CNC(=O)NC1(CCO)CCC1)[*:1]
CC(C)[C@@H](CNC(=O)NC1(CCO)CCC1)c1cccnc1 OCC[*:1] CC(C)[C@@H](CNC(=O)NC1(CCC1)[*:1])c1cccnc1
CC(C)[C@@H](CNC(=O)NC1(CCO)CCC1)c1cccnc1 OCCC1(CCC1)[*:1] CC(C)[C@@H](CNC(=O)N[*:1])c1cccnc1
CC(C)[C@@H](CNC(=O)NC1(CCO)CCC1)c1cccnc1 CC(C)[*:1] O=C(NC[C@@H](c1cccnc1)[*:1])NC1(CCO)CCC1
CCOC(=O)[C@H]1[NH+]=c2ccc(OC)cc2=C1NC(=O)c1ccc2c(c1)OCO2 CCOC(=O)[*:1] COc1ccc2=[NH+][C@@H](C(NC(=O)c3ccc4OCOc4c3)=c2c1)[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccc(OC)cc2=C1NC(=O)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CCOC(=O)[C@H]1[NH+]=c2ccc(cc2=C1NC(=O)[*:1])OC
O=C(Cc1cccc(OCc2cccnc2)c1)NCC#Cc1ccccn1 c1cncc(c1)C[*:1] O=C(Cc1cccc(c1)O[*:1])NCC#Cc1ccccn1
O=C(Cc1cccc(OCc2cccnc2)c1)NCC#Cc1ccccn1 c1ccc(nc1)[*:1] O=C(Cc1cccc(c1)OCc1cccnc1)NCC#C[*:1]
O=C(Cc1cccc(OCc2cccnc2)c1)NCC#Cc1ccccn1 C(#Cc1ccccn1)C[*:1] O=C(Cc1cccc(c1)OCc1cccnc1)N[*:1]
O=C(Cc1cccc(OCc2cccnc2)c1)NCC#Cc1ccccn1 c1cncc(c1)CO[*:1] O=C(Cc1cccc(c1)[*:1])NCC#Cc1ccccn1
O=C(Cc1cccc(OCc2cccnc2)c1)NCC#Cc1ccccn1 C(#C[*:1])c1ccccn1 O=C(Cc1cccc(c1)OCc1cccnc1)NC[*:1]
O=C(Cc1cccc(OCc2cccnc2)c1)NCC#Cc1ccccn1 c1cncc(c1)[*:1] O=C(Cc1cccc(c1)OC[*:1])NCC#Cc1ccccn1
COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccccc2)c(C)c1)C(F)(F)F c1ccc(cc1)[*:1] COC(=O)[C@@](O)(c1ccc(NC(=O)N[*:1])c(C)c1)C(F)(F)F
COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccccc2)c(C)c1)C(F)(F)F COC(=O)[*:1] Cc1cc(ccc1NC(=O)Nc1ccccc1)[C@](O)(C(F)(F)F)[*:1]
COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccccc2)c(C)c1)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccccc2)c(C)c1)[*:1]
C[C@H](NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)C(C)(C)C[NH+](C)C Clc1cccc(Cl)c1[*:1] C[C@H](NC(=O)NC[C@@H](O)[*:1])C(C)(C)C[NH+](C)C
CC1(C)CSC[C@H](N(CCC(=O)[O-])c2ccccc2)C1 O=C([O-])C[*:1] CC1(C)CSC[C@@H](C1)N(C[*:1])c1ccccc1
CC1(C)CSC[C@H](N(CCC(=O)[O-])c2ccccc2)C1 O=C([O-])[*:1] CC1(C)CSC[C@@H](C1)N(CC[*:1])c1ccccc1
CC1(C)CSC[C@H](N(CCC(=O)[O-])c2ccccc2)C1 c1ccc(cc1)[*:1] CC1(C)CSC[C@@H](C1)N(CCC(=O)[O-])[*:1]
CC1(C)CSC[C@H](N(CCC(=O)[O-])c2ccccc2)C1 O=C([O-])CC[*:1] CC1(C)CSC[C@@H](C1)N(c1ccccc1)[*:1]
Fc1ccc(NCC[NH2+]Cc2ccco2)cc1Cl c1coc(c1)C[*:1] Fc1ccc(cc1Cl)NCC[NH2+][*:1]
Fc1ccc(NCC[NH2+]Cc2ccco2)cc1Cl c1coc(c1)[*:1] Fc1ccc(cc1Cl)NCC[NH2+]C[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)[C@H]2CC=CCC2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@H]1CC=CCC1
CN(C)C(=O)CN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CN(C)C(=O)CN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CN(C)C(=O)CN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 FC(F)(F)C[*:1] CN(C)C(=O)CN(C(=O)[C@H]1CC(=O)N(C1)c1cccc(Cl)c1)[*:1]
CN(C)C(=O)CN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 FC(F)(F)[*:1] CN(C)C(=O)CN(C[*:1])C(=O)[C@H]1CC(=O)N(C1)c1cccc(Cl)c1
CN(C)C(=O)CN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 CN(C)C(=O)[*:1] O=C([C@H]1CC(=O)N(C1)c1cccc(Cl)c1)N(CC(F)(F)F)C[*:1]
CN(C)C(=O)CN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 CN(C)C(=O)C[*:1] O=C1C[C@@H](CN1c1cccc(Cl)c1)C(=O)N(CC(F)(F)F)[*:1]
CCO[C@H](C)C(=O)Cc1cccc(O)c1 CCO[*:1] C[C@H](C(=O)Cc1cccc(O)c1)[*:1]
CCO[C@H](C)C(=O)Cc1cccc(O)c1 CCO[C@H](C)[*:1] O=C(Cc1cccc(O)c1)[*:1]
O=C(c1cc2ccccc2[nH]1)N1CCC(c2nnc3n2CCCCC3)CC1 c1ccc2[nH]c(cc2c1)[*:1] O=C(N1CCC(CC1)c1nnc2CCCCCn21)[*:1]
FC(F)(F)CN(Cc1cccnc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] FC(F)(F)CN(Cc1cccnc1)C[*:1]
FC(F)(F)CN(Cc1cccnc1)C[C@@H]1CCCO1 c1cncc(c1)[*:1] FC(F)(F)CN(C[C@@H]1CCCO1)C[*:1]
FC(F)(F)CN(Cc1cccnc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] FC(F)(F)CN(Cc1cccnc1)[*:1]
FC(F)(F)CN(Cc1cccnc1)C[C@@H]1CCCO1 FC(F)(F)C[*:1] c1cncc(c1)CN(C[C@@H]1CCCO1)[*:1]
FC(F)(F)CN(Cc1cccnc1)C[C@@H]1CCCO1 FC(F)(F)[*:1] c1cncc(c1)CN(C[C@@H]1CCCO1)C[*:1]
CC(=O)NC1(c2noc(CCC(=O)NC(C)(C)C)n2)CCCCCC1 CC(C)(C)NC(=O)[*:1] CC(=O)NC1(CCCCCC1)c1noc(CC[*:1])n1
CC(=O)NC1(c2noc(CCC(=O)NC(C)(C)C)n2)CCCCCC1 CC(=O)N[*:1] CC(C)(C)NC(=O)CCc1nc(no1)C1(CCCCCC1)[*:1]
CC(=O)NC1(c2noc(CCC(=O)NC(C)(C)C)n2)CCCCCC1 CC(C)(C)[*:1] CC(=O)NC1(CCCCCC1)c1noc(CCC(=O)N[*:1])n1
CC(=O)NC1(c2noc(CCC(=O)NC(C)(C)C)n2)CCCCCC1 CC(C)(C)NC(=O)C[*:1] CC(=O)NC1(CCCCCC1)c1noc(C[*:1])n1
O=C(OCc1nncn1C1CC1)[C@H]1CC[C@H]2CCCC[C@@H]2C1 C1CC1[*:1] O=C(OCc1nncn1[*:1])[C@H]1CC[C@H]2CCCC[C@@H]2C1
CN1C(=O)C[C@H](NCc2cnc3cnccn23)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NCc2cnc3cnccn23)[C@H]1[*:1]
CC(C)C[NH+]1CCC(NC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 CC(C)C[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)NC1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCC(NC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 CC(C)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)NC1CC[NH+](CC1)C[*:1]
Cn1ncnc1CNC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl Cn1ncnc1[*:1] O=C(NC[*:1])N[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl
Cn1ncnc1CNC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl Cn1ncnc1C[*:1] O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N[*:1]
CCOC(=O)CNC(=O)C[C@H](C)c1ccccc1 CCOC(=O)[*:1] C[C@@H](CC(=O)NC[*:1])c1ccccc1
CCOC(=O)CNC(=O)C[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)CNC(=O)C[C@H](C)[*:1]
CCOC(=O)CNC(=O)C[C@H](C)c1ccccc1 CCOC(=O)C[*:1] C[C@@H](CC(=O)N[*:1])c1ccccc1
CCOCCCNC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O CCO[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCCC[*:1]
CCOCCCNC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O CCOC[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCC[*:1]
CCOCCCNC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O CCOCCC[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N[*:1]
CCOCCCNC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O CCOCC[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NC[*:1]
Fc1cccc(F)c1C[NH2+]CCOCc1ccccc1 c1ccc(cc1)[*:1] Fc1cccc(F)c1C[NH2+]CCOC[*:1]
Cc1c(Cl)cc(NC(=O)CC2(CS(C)(=O)=O)CC2)cc1Cl CS(=O)(=O)C[*:1] Cc1c(Cl)cc(cc1Cl)NC(=O)CC1(CC1)[*:1]
Cc1c(Cl)cc(NC(=O)CC2(CS(C)(=O)=O)CC2)cc1Cl CS(=O)(=O)[*:1] Cc1c(Cl)cc(cc1Cl)NC(=O)CC1(CC1)C[*:1]
CCCOc1ccc(NC(=O)CCC(=O)[O-])cc1 O=C([O-])C[*:1] CCCOc1ccc(cc1)NC(=O)C[*:1]
CCCOc1ccc(NC(=O)CCC(=O)[O-])cc1 O=C([O-])CC[*:1] CCCOc1ccc(cc1)NC(=O)[*:1]
CCCOc1ccc(NC(=O)CCC(=O)[O-])cc1 CCCO[*:1] O=C([O-])CCC(=O)Nc1ccc(cc1)[*:1]
CCCOc1ccc(NC(=O)CCC(=O)[O-])cc1 O=C([O-])[*:1] CCCOc1ccc(cc1)NC(=O)CC[*:1]
CCCOc1ccc(NC(=O)CCC(=O)[O-])cc1 CCC[*:1] O=C([O-])CCC(=O)Nc1ccc(cc1)O[*:1]
c1nc(CCNCc2c[nH+]cn2C2CC2)n[nH]1 c1nc(n[nH]1)[*:1] c1[nH+]cn(c1CNCC[*:1])C1CC1
c1nc(CCNCc2c[nH+]cn2C2CC2)n[nH]1 C1CC1[*:1] c1nc(CCNCc2c[nH+]cn2[*:1])n[nH]1
O=[N+]([O-])c1ccc(O)c(-c2n[nH]c(-c3ccc(Br)cc3)n2)c1 O=[N+]([O-])[*:1] Oc1ccc(cc1-c1n[nH]c(n1)-c1ccc(Br)cc1)[*:1]
O=[N+]([O-])c1ccc(O)c(-c2n[nH]c(-c3ccc(Br)cc3)n2)c1 Brc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(O)c(c1)-c1n[nH]c(n1)[*:1]
COc1cc(/C=N/NC(=O)[C@@H]2C=C(c3ccc(C)cc3)N=N2)cc(OC)c1OC Cc1ccc(cc1)[*:1] COc1cc(/C=N/NC(=O)[C@@H]2C=C(N=N2)[*:1])cc(OC)c1OC
CNC(=O)c1cccc(OC(=O)c2sc3ncn(C)c(=O)c3c2C)c1 CNC(=O)[*:1] Cc1c(sc2ncn(C)c(=O)c12)C(=O)Oc1cccc(c1)[*:1]
CCO[C@@H]1CCCN(C(=O)[C@H]2SCCc3sccc32)C1 CCO[*:1] O=C([C@H]1SCCc2sccc21)N1CCC[C@H](C1)[*:1]
Cc1ccc2c(c1)N(CC(=O)N(CCN1CCOCC1)Cc1ccncc1)C(=O)[C@@H](C)O2 c1cc(ccn1)C[*:1] Cc1ccc2O[C@H](C)C(=O)N(CC(=O)N(CCN3CCOCC3)[*:1])c2c1
Cc1ccc2c(c1)N(CC(=O)N(CCN1CCOCC1)Cc1ccncc1)C(=O)[C@@H](C)O2 C1CN(CCO1)[*:1] Cc1ccc2O[C@H](C)C(=O)N(CC(=O)N(CC[*:1])Cc3ccncc3)c2c1
Cc1ccc2c(c1)N(CC(=O)N(CCN1CCOCC1)Cc1ccncc1)C(=O)[C@@H](C)O2 c1cc(ccn1)[*:1] Cc1ccc2O[C@H](C)C(=O)N(CC(=O)N(CCN3CCOCC3)C[*:1])c2c1
Cc1ccc2c(c1)N(CC(=O)N(CCN1CCOCC1)Cc1ccncc1)C(=O)[C@@H](C)O2 C1CN(CCO1)CC[*:1] Cc1ccc2O[C@H](C)C(=O)N(CC(=O)N(Cc3ccncc3)[*:1])c2c1
Cc1ccc2c(c1)N(CC(=O)N(CCN1CCOCC1)Cc1ccncc1)C(=O)[C@@H](C)O2 C1CN(CCO1)C[*:1] Cc1ccc2O[C@H](C)C(=O)N(CC(=O)N(Cc3ccncc3)C[*:1])c2c1
COc1ccc(OC)c([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)c1 O=C(c1cccs1)[*:1] COc1ccc(OC)c(c1)[C@H]1NC(=O)C(O)=C1[*:1]
COc1ccc(OC)c([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)c1 c1csc(c1)[*:1] COc1ccc(OC)c(c1)[C@H]1NC(=O)C(O)=C1C(=O)[*:1]
O=C(C[NH+]1CC=C(c2ccccc2)CC1)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CC=C(CC1)c1ccccc1)NCC[*:1]
O=C(C[NH+]1CC=C(c2ccccc2)CC1)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(C[NH+]1CC=C(CC1)c1ccccc1)NC[*:1]
O=C(C[NH+]1CC=C(c2ccccc2)CC1)NCCc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CC=C(CC1)[*:1])NCCc1ccc(F)cc1
Fc1ccc(-n2ccc(C[NH2+][C@@H](c3ccccn3)C3CCCC3)n2)cc1 c1ccc(nc1)[*:1] Fc1ccc(cc1)-n1ccc(C[NH2+][C@@H](C2CCCC2)[*:1])n1
Fc1ccc(-n2ccc(C[NH2+][C@@H](c3ccccn3)C3CCCC3)n2)cc1 Fc1ccc(cc1)[*:1] c1ccc(nc1)[C@H]([NH2+]Cc1ccn(n1)[*:1])C1CCCC1
Fc1ccc(-n2ccc(C[NH2+][C@@H](c3ccccn3)C3CCCC3)n2)cc1 C1CCC(C1)[*:1] Fc1ccc(cc1)-n1ccc(C[NH2+][C@@H](c2ccccn2)[*:1])n1
COc1ccc(CN2Cc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3O[C@@H](C)C2=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] C[C@@H]1Oc2ccc(cc2CN(C[*:1])C1=O)NC(=O)c1ccc(cc1)[N+](=O)[O-]
COc1ccc(CN2Cc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3O[C@@H](C)C2=O)c(OC)c1 COc1ccc(C[*:1])c(c1)OC C[C@@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)c1ccc(cc1)[N+](=O)[O-]
COc1ccc(CN2Cc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3O[C@@H](C)C2=O)c(OC)c1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(CN2Cc3cc(ccc3O[C@@H](C)C2=O)NC(=O)[*:1])c(c1)OC
COc1ccc(CN2Cc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3O[C@@H](C)C2=O)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(CN2Cc3cc(ccc3O[C@@H](C)C2=O)NC(=O)c2ccc(cc2)[*:1])c(c1)OC
COc1ccc(CN2Cc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3O[C@@H](C)C2=O)c(OC)c1 O=C(N[*:1])c1ccc(cc1)[N+](=O)[O-] COc1ccc(CN2Cc3cc(ccc3O[C@@H](C)C2=O)[*:1])c(c1)OC
CCN(CC)S(=O)(=O)N[C@H](c1ccc(F)cc1)c1nccn1C Cn1ccnc1[*:1] CCN(CC)S(=O)(=O)N[C@H](c1ccc(F)cc1)[*:1]
CCN(CC)S(=O)(=O)N[C@H](c1ccc(F)cc1)c1nccn1C Fc1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)N[C@H](c1nccn1C)[*:1]
CC(C)n1nc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c2ccccc2c1=O c1ccc(cc1)[*:1] CC(C)n1nc(C(=O)NNC(=O)c2cn(nc2-c2ccccc2)[*:1])c2ccccc2c1=O
CC(C)n1nc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c2ccccc2c1=O CC(C)[*:1] O=C(NNC(=O)c1nn(c(=O)c2ccccc12)[*:1])c1cn(nc1-c1ccccc1)-c1ccccc1
CC(C)n1nc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c2ccccc2c1=O c1ccc(cc1)[*:1] CC(C)n1nc(C(=O)NNC(=O)c2cn(nc2[*:1])-c2ccccc2)c2ccccc2c1=O
CC(C)c1cc([C@@H]2CCCN2C(=O)c2cn(CC[NH3+])nn2)no1 CC(C)[*:1] [NH3+]CCn1cc(nn1)C(=O)N1CCC[C@H]1c1cc(on1)[*:1]
CC(C)c1cc([C@@H]2CCCN2C(=O)c2cn(CC[NH3+])nn2)no1 [NH3+]CC[*:1] CC(C)c1cc(no1)[C@@H]1CCCN1C(=O)c1cn(nn1)[*:1]
COc1ccc2c(c1)[C@@](NC=O)(C(=O)[O-])CCC2 O=C([O-])[*:1] COc1ccc2CCC[C@](NC=O)(c2c1)[*:1]
COc1ccc2c(c1)[C@@](NC=O)(C(=O)[O-])CCC2 O=CN[*:1] COc1ccc2CCC[C@](C(=O)[O-])(c2c1)[*:1]
COCCCCN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C COCCC[*:1] C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1C[*:1]
COCCCCN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C COC[*:1] C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1CCC[*:1]
COCCCCN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C COCC[*:1] C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1CC[*:1]
C=CCSc1nc2ccccc2n1CN1CCN(C(=O)c2ccccc2)CC1 C=CCS[*:1] O=C(c1ccccc1)N1CCN(CC1)Cn1c(nc2ccccc21)[*:1]
C=CCSc1nc2ccccc2n1CN1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C=CCSc1nc2ccccc2n1CN1CCN(CC1)C(=O)[*:1]
C=CCSc1nc2ccccc2n1CN1CCN(C(=O)c2ccccc2)CC1 C=CC[*:1] O=C(c1ccccc1)N1CCN(CC1)Cn1c(nc2ccccc21)S[*:1]
COC(=O)COc1c(C)cc(C(=O)N[C@H](C)c2ccc(C)o2)cc1C Cc1ccc(o1)[C@@H](C)[*:1] COC(=O)COc1c(C)cc(cc1C)C(=O)N[*:1]
COC(=O)COc1c(C)cc(C(=O)N[C@H](C)c2ccc(C)o2)cc1C COC(=O)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)c1cc(C)c(OC[*:1])c(C)c1
COC(=O)COc1c(C)cc(C(=O)N[C@H](C)c2ccc(C)o2)cc1C Cc1ccc(o1)[*:1] COC(=O)COc1c(C)cc(cc1C)C(=O)N[C@H](C)[*:1]
COC(=O)COc1c(C)cc(C(=O)N[C@H](C)c2ccc(C)o2)cc1C COC(=O)C[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)c1cc(C)c(O[*:1])c(C)c1
COC(=O)COc1c(C)cc(C(=O)N[C@H](C)c2ccc(C)o2)cc1C COC(=O)CO[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)c1cc(C)c(c(C)c1)[*:1]
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 C1CO[C@@H](C1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(Cl)cc2)N1C[C@@H]1CCCO1
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 C1CO[C@@H](C1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(Cl)cc1)[*:1])c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] O=C1C([O-])=C([C@H](c2ccc(Cl)cc2)N1C[C@@H]1CCCO1)[*:1]
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1[*:1])c1ccc(Cl)cc1
C[C@H](CCCCl)[NH2+]C[C@H]1CCCc2ccccc21 ClCCC[*:1] C[C@H]([NH2+]C[C@H]1CCCc2ccccc21)[*:1]
C[C@H](CCCCl)[NH2+]C[C@H]1CCCc2ccccc21 ClCC[*:1] C[C@H](C[*:1])[NH2+]C[C@H]1CCCc2ccccc21
COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)c(C)c1 CN(C)S(=O)(=O)[*:1] COc1ccc(C(=O)NCc2ccc(s2)[*:1])c(C)c1
CC(C)NC(=O)C[C@H](C[NH3+])N(C)Cc1ccccc1Br CC(C)[*:1] CN(Cc1ccccc1Br)[C@@H](C[NH3+])CC(=O)N[*:1]
CC(C)NC(=O)C[C@H](C[NH3+])N(C)Cc1ccccc1Br CC(C)NC(=O)[*:1] CN(Cc1ccccc1Br)[C@@H](C[NH3+])C[*:1]
CCOc1ccc(-c2cc(C(=O)NC)nc(N)n2)cc1 CCO[*:1] CNC(=O)c1cc(nc(N)n1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2cc(C(=O)NC)nc(N)n2)cc1 CNC(=O)[*:1] CCOc1ccc(cc1)-c1cc(nc(N)n1)[*:1]
Fc1ccc(OCc2nn3c(C[NH+]4CCCCC4)nnc3s2)cc1 Fc1ccc(cc1)O[*:1] C1CC[NH+](CC1)Cc1nnc2sc(C[*:1])nn12
Fc1ccc(OCc2nn3c(C[NH+]4CCCCC4)nnc3s2)cc1 Fc1ccc(cc1)[*:1] C1CC[NH+](CC1)Cc1nnc2sc(CO[*:1])nn12
CCOC1CCN(C(=O)N[C@H](C)c2cccc(F)c2)CC1 CCO[*:1] C[C@@H](NC(=O)N1CCC(CC1)[*:1])c1cccc(F)c1
CCOC1CCN(C(=O)N[C@H](C)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CCOC1CCN(CC1)C(=O)N[C@H](C)[*:1]
COC(=O)c1nc(C)n2ccncc12 COC(=O)[*:1] Cc1nc(c2cnccn12)[*:1]
c1ccc(CC[NH+]2CCC(NCc3cnn(-c4ccccc4)c3)CC2)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)-n1cc(cn1)CNC1CC[NH+](CC1)C[*:1]
c1ccc(CC[NH+]2CCC(NCc3cnn(-c4ccccc4)c3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-n1cc(cn1)CNC1CC[NH+](CC1)CC[*:1]
c1ccc(CC[NH+]2CCC(NCc3cnn(-c4ccccc4)c3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)CC[NH+]1CCC(CC1)NCc1cnn(c1)[*:1]
c1ccc(CC[NH+]2CCC(NCc3cnn(-c4ccccc4)c3)CC2)cc1 c1ccc(cc1)CC[*:1] c1ccc(cc1)-n1cc(cn1)CNC1CC[NH+](CC1)[*:1]
CCCn1nc(C(=O)N(C)Cc2ccccc2Cl)ccc1=O Clc1ccccc1[*:1] CCCn1nc(ccc1=O)C(=O)N(C)C[*:1]
CCCn1nc(C(=O)N(C)Cc2ccccc2Cl)ccc1=O CCC[*:1] CN(Cc1ccccc1Cl)C(=O)c1ccc(=O)n(n1)[*:1]
COc1ccccc1Oc1cncc(C[NH2+]CC(C)C)n1 CC(C)[*:1] COc1ccccc1Oc1cncc(C[NH2+]C[*:1])n1
COc1ccccc1Oc1cncc(C[NH2+]CC(C)C)n1 CC(C)C[*:1] COc1ccccc1Oc1cncc(C[NH2+][*:1])n1
C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1ccccn1)c1nc2c(F)cccc2s1 c1ccc(C[*:1])nc1 C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(c1nc2c(F)cccc2s1)[*:1]
C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1ccccn1)c1nc2c(F)cccc2s1 c1ccc(nc1)[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C[*:1])c1nc2c(F)cccc2s1
C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1ccccn1)c1nc2c(F)cccc2s1 Fc1cccc2sc(nc12)[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1ccccn1)[*:1]
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCC[C@H]1CO C1CC1[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)[*:1])N1CCC[C@H]1CO
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCC[C@H]1CO FC(F)(F)[*:1] O=C(N[C@@H](c1cccc(c1)[*:1])C1CC1)N1CCC[C@H]1CO
COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCc5ccccc5C4)cc3N2)c1 COc1cccc(c1)[*:1] O=C(c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)[*:1])N1CCc2ccccc2C1
COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCc5ccccc5C4)cc3N2)c1 FC(F)(F)[*:1] COc1cccc(c1)[C@H]1C[C@@H](n2nc(cc2N1)C(=O)N1CCc2ccccc2C1)[*:1]
COc1cccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 O=[N+]([O-])[*:1] COc1cccc(c1)[C@@H](CNC(=O)Nc1ccc(cc1)[*:1])[NH+](C)C
COc1cccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl O=[N+]([O-])[*:1] O=C(COC(=O)c1ccccc1[*:1])c1ccc(Cl)cc1Cl
CCOC(=O)c1cn[nH]c1CC1CCCCC1 CCOC(=O)[*:1] c1n[nH]c(CC2CCCCC2)c1[*:1]
O=C(NCc1ccccc1Cl)C(O)(c1ccccc1)c1ccccc1 Clc1ccccc1C[*:1] O=C(N[*:1])C(O)(c1ccccc1)c1ccccc1
O=C(NCc1ccccc1Cl)C(O)(c1ccccc1)c1ccccc1 Clc1ccccc1[*:1] O=C(NC[*:1])C(O)(c1ccccc1)c1ccccc1
O=C(NCc1ccccc1Cl)C(O)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1Cl)C(O)(c1ccccc1)[*:1]
CCCc1c(C(=O)Nc2ccc3c(c2)C(=O)OC3)nnn1-c1ccccc1 c1ccc(cc1)[*:1] CCCc1c(nnn1[*:1])C(=O)Nc1ccc2COC(=O)c2c1
CCCc1c(C(=O)Nc2ccc3c(c2)C(=O)OC3)nnn1-c1ccccc1 CCC[*:1] O=C1OCc2ccc(cc21)NC(=O)c1nnn(-c2ccccc2)c1[*:1]
CCOc1cccc2c1[C@@H](C)[C@H](C)[C@@H]2O CCO[*:1] C[C@@H]1c2c(cccc2[*:1])[C@@H](O)[C@H]1C
CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)CC1 CC(C)[*:1] C[C@@H](NC(=O)N1CC[NH+](CC1)C[*:1])c1ccc2OCOc2c1
CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)CC1 CC(C)C[*:1] C[C@@H](NC(=O)N1CC[NH+](CC1)[*:1])c1ccc2OCOc2c1
COC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccn1 COC(=O)[*:1] O=C(Nc1ccc(Cl)cc1Cl)c1ccnc(c1)[*:1]
CCOC(=O)c1c[nH+]c2c(ccc3ccccc32)c1NCc1ccccc1 CCOC(=O)[*:1] c1ccc(cc1)CNc1c(c[nH+]c2c1ccc1ccccc12)[*:1]
CCOC(=O)c1c[nH+]c2c(ccc3ccccc32)c1NCc1ccccc1 c1ccc(cc1)CN[*:1] CCOC(=O)c1c[nH+]c2c(ccc3ccccc32)c1[*:1]
CCOC(=O)c1c[nH+]c2c(ccc3ccccc32)c1NCc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1c[nH+]c2c(ccc3ccccc32)c1NC[*:1]
CCOC(=O)c1c[nH+]c2c(ccc3ccccc32)c1NCc1ccccc1 c1ccc(cc1)C[*:1] CCOC(=O)c1c[nH+]c2c(ccc3ccccc32)c1N[*:1]
Cc1noc(COC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)n1 Cc1noc(C[*:1])n1 C[C@H](Cc1cccc(c1)C(F)(F)F)C(=O)O[*:1]
Cc1noc(COC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] Cc1noc(COC(=O)[C@H](C)Cc2cccc(c2)[*:1])n1
Cc1noc(COC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)n1 Cc1noc(n1)[*:1] C[C@H](Cc1cccc(c1)C(F)(F)F)C(=O)OC[*:1]
CCC[C@H](NC(=O)CCc1ccco1)c1ccccc1 c1coc(c1)C[*:1] CCC[C@H](NC(=O)C[*:1])c1ccccc1
CCC[C@H](NC(=O)CCc1ccco1)c1ccccc1 CCC[*:1] O=C(CCc1ccco1)N[C@H](c1ccccc1)[*:1]
CCC[C@H](NC(=O)CCc1ccco1)c1ccccc1 c1coc(c1)[*:1] CCC[C@H](NC(=O)CC[*:1])c1ccccc1
CCC[C@H](NC(=O)CCc1ccco1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](NC(=O)CCc1ccco1)[*:1]
O=C([O-])Cc1ccccc1-c1ccc2[nH]ccc2c1 O=C([O-])C[*:1] c1ccc(c(c1)-c1ccc2[nH]ccc2c1)[*:1]
O=C([O-])Cc1ccccc1-c1ccc2[nH]ccc2c1 O=C([O-])[*:1] c1ccc(-c2ccc3[nH]ccc3c2)c(c1)C[*:1]
Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 Cc1cc(C)c(c(C)c1)[*:1] Cc1ccc(cc1)C(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
CCOc1cccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1 CCO[*:1] C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(c1)[*:1]
CCOc1cccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] CCOc1cccc(c1)NC(=O)[C@H](C)NC(=O)O[*:1]
Cc1ccc(N(C[C@H]2C=c3ccc(C)cc3=[NH+]C2=O)C(=O)c2ccco2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2=C[C@H](CN(C(=O)c3ccco3)[*:1])C(=O)[NH+]=c2c1
Cc1ccc(N(C[C@H]2C=c3ccc(C)cc3=[NH+]C2=O)C(=O)c2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N(C[C@H]1C=c2ccc(C)cc2=[NH+]C1=O)C(=O)[*:1]
Cc1ccc(C)n1NCc1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccc(C)n1NCc1ccn(n1)[*:1]
COc1cccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)S(=O)(=O)N[C@@H]1CCN(C1=O)[*:1]
COc1cccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1 COc1cccc(c1)[*:1] O=C1[C@@H](CCN1c1ccc(F)cc1)NS(=O)(=O)[*:1]
CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)c1 c1nnc2sc(nn12)[*:1] CC[C@@H](C)Oc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)c1 CC[C@@H](C)O[*:1] O=C(Nc1cccc(c1)-c1nn2cnnc2s1)c1cccc(c1)[*:1]
Fc1cccnc1N1CCN(Cc2nnc(-c3ccccc3)o2)CC1 c1ccc(cc1)[*:1] Fc1cccnc1N1CCN(CC1)Cc1nnc(o1)[*:1]
Fc1cccnc1N1CCN(Cc2nnc(-c3ccccc3)o2)CC1 Fc1cccnc1[*:1] c1ccc(cc1)-c1nnc(CN2CCN(CC2)[*:1])o1
COc1cc(Cl)c(C)cc1NC(=O)CCOc1ccccc1Cl Clc1ccccc1[*:1] COc1cc(Cl)c(C)cc1NC(=O)CCO[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc1C C[C@H](S(C)(=O)=O)[*:1] CC(=O)c1ccc(cc1C)NC(=O)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc1C CS(=O)(=O)[*:1] CC(=O)c1ccc(cc1C)NC(=O)[C@H](C)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@H](C)S(C)(=O)=O
Cc1ccccc1NC(=O)[C@H](C#N)Cc1ccncc1 c1cc(ccn1)[*:1] Cc1ccccc1NC(=O)[C@H](C#N)C[*:1]
O=C(Cc1ccc[nH]1)N1CCN(C2CC2)C(=O)C1 c1c[nH]c(c1)[*:1] O=C(C[*:1])N1CCN(C(=O)C1)C1CC1
O=C(Cc1ccc[nH]1)N1CCN(C2CC2)C(=O)C1 c1c[nH]c(c1)C[*:1] O=C1CN(CCN1C1CC1)C(=O)[*:1]
O=C(Cc1ccc[nH]1)N1CCN(C2CC2)C(=O)C1 C1CC1[*:1] O=C(Cc1ccc[nH]1)N1CCN(C(=O)C1)[*:1]
CC(C)(C)C(=O)Nc1cccc(NC(=O)CCn2cc[nH+]c2)c1 CC(C)(C)[*:1] O=C(CCn1cc[nH+]c1)Nc1cccc(c1)NC(=O)[*:1]
CC(C)(C)C(=O)Nc1cccc(NC(=O)CCn2cc[nH+]c2)c1 CC(C)(C)C(=O)N[*:1] O=C(CCn1cc[nH+]c1)Nc1cccc(c1)[*:1]
CC(=O)Nc1cc(C(=O)NC[C@H](C)Cn2cccn2)ccc1C c1cnn(c1)[*:1] CC(=O)Nc1cc(ccc1C)C(=O)NC[C@H](C)C[*:1]
CC(=O)Nc1cc(C(=O)NC[C@H](C)Cn2cccn2)ccc1C c1cnn(c1)C[*:1] CC(=O)Nc1cc(ccc1C)C(=O)NC[C@H](C)[*:1]
CC(=O)Nc1cc(C(=O)NC[C@H](C)Cn2cccn2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)NC[C@H](C)Cn1cccn1
CN(CC1CCCC1)C(=O)C(=O)Nc1ccc(Br)c(F)c1 C1CCC(C1)C[*:1] CN(C(=O)C(=O)Nc1ccc(Br)c(F)c1)[*:1]
CN(CC1CCCC1)C(=O)C(=O)Nc1ccc(Br)c(F)c1 C1CCC(C1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc(Br)c(F)c1
Cn1ncnc1NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 Cn1ncnc1[*:1] O=C(N[*:1])N1CCN(CC1)Cc1cn2ccccc2[nH+]1
Cc1cc(C(=O)N[C@@H]2CCCOc3ccccc32)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[C@@H]1CCCOc2ccccc21)[*:1]
C[C@H](NC(=O)CNC(=O)c1cccs1)c1ccc(-c2cncnc2)cc1 c1csc(c1)[*:1] C[C@H](NC(=O)CNC(=O)[*:1])c1ccc(cc1)-c1cncnc1
C[C@H](NC(=O)CNC(=O)c1cccs1)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H](NC(=O)CNC(=O)c1cccs1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CNC(=O)c1cccs1)c1ccc(-c2cncnc2)cc1 O=C(N[*:1])c1cccs1 C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1cncnc1
CN1CC[C@@H](NC(=O)c2ccn3ccnc3c2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1CC[C@@H](NC(=O)c2ccn3ccnc3c2)[C@H]1[*:1]
CCN(Cc1nc2ccccc2n1C)[C@@H](C)c1cccc(O)c1 Oc1cccc(c1)[*:1] CCN(Cc1nc2ccccc2n1C)[C@@H](C)[*:1]
C[C@H]1c2cc(F)ccc2CCN1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] C[C@H]1c2cc(F)ccc2CCN1C(=O)Nc1cnn(c1)C[*:1]
C[C@H]1c2cc(F)ccc2CCN1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] C[C@H]1c2cc(F)ccc2CCN1C(=O)Nc1cnn(c1)[*:1]
Cc1cc(CN(C)C(=O)c2cnn(-c3ccc(Cl)cc3)c2)no1 Cc1cc(C[*:1])no1 CN(C(=O)c1cnn(c1)-c1ccc(Cl)cc1)[*:1]
Cc1cc(CN(C)C(=O)c2cnn(-c3ccc(Cl)cc3)c2)no1 Clc1ccc(cc1)[*:1] Cc1cc(CN(C)C(=O)c2cnn(c2)[*:1])no1
Cc1cc(CN(C)C(=O)c2cnn(-c3ccc(Cl)cc3)c2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)c1cnn(c1)-c1ccc(Cl)cc1
COc1ccccc1[C@@H](CNC(=O)c1sc2nc(C)cc(C)c2c1C)[NH+]1CCCC1 COc1ccccc1[*:1] Cc1cc(C)c2c(C)c(sc2n1)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
C[C@@H](NC(=O)c1sccc1C1CC1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)c1sccc1C1CC1)[*:1]
C[C@@H](NC(=O)c1sccc1C1CC1)C1CCCCC1 C1CC1[*:1] C[C@@H](NC(=O)c1sccc1[*:1])C1CCCCC1
C/C=C/C[S@@](=O)Cc1nc(-c2cccs2)oc1C c1csc(c1)[*:1] C/C=C/C[S@@](=O)Cc1nc(oc1C)[*:1]
C/C=C/C[S@@](=O)Cc1nc(-c2cccs2)oc1C C/C=C/C[*:1] Cc1oc(nc1C[S@](=O)[*:1])-c1cccs1
C/C=C/C[S@@](=O)Cc1nc(-c2cccs2)oc1C CC=C[*:1] Cc1oc(nc1C[S@](=O)C[*:1])-c1cccs1
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(C(N)=O)cc2)c1 NC(=O)[*:1] CC(=O)Nc1cccc(c1)/C(C)=N/NC(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(C(N)=O)cc2)c1 CC(=O)N[*:1] C/C(=N\NC(=O)c1ccc(cc1)C(N)=O)c1cccc(c1)[*:1]
C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccncc1 C[C@H](c1ccncc1)[*:1] O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N[*:1]
C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccncc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H]([C@@H]1CCCO1)[*:1])c1ccncc1
C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[*:1]
C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccncc1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)[*:1])c1ccncc1
CCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C)s2)cc1 Cc1ccc(s1)[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
CCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C)s2)cc1 CCCNC(=O)[*:1] Cc1ccc(CNC(=O)C(=O)Nc2ccc(cc2)[*:1])s1
CCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C)s2)cc1 Cc1ccc(C[*:1])s1 CCCNC(=O)c1ccc(cc1)NC(=O)C(=O)N[*:1]
CCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C)s2)cc1 CCC[*:1] Cc1ccc(CNC(=O)C(=O)Nc2ccc(cc2)C(=O)N[*:1])s1
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NNc1ccccc1F O=C(N[*:1])C1CC1 Cc1ccc(cc1NC(=O)NNc1ccccc1F)[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NNc1ccccc1F Fc1ccccc1[*:1] Cc1ccc(cc1NC(=O)NN[*:1])NC(=O)C1CC1
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NNc1ccccc1F C1CC1[*:1] Cc1ccc(cc1NC(=O)NNc1ccccc1F)NC(=O)[*:1]
Cc1nccn1-c1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cn1 Cc1nccn1[*:1] [NH3+][C@@H]1CCC[C@H](C1)Nc1ccc(nc1)[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NC1CC1 CC(C)[*:1] Cc1cc(ccc1NC(=O)C(=O)NC1CC1)C(=O)N[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NC1CC1 C1CC1[*:1] Cc1cc(ccc1NC(=O)C(=O)N[*:1])C(=O)NC(C)C
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NC1CC1 CC(C)NC(=O)[*:1] Cc1cc(ccc1NC(=O)C(=O)NC1CC1)[*:1]
CC(C)Oc1ccc(CNC(=O)N(C)Cc2nc3c(s2)CCCC3)cc1 CC(C)[*:1] CN(Cc1nc2CCCCc2s1)C(=O)NCc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(CNC(=O)N(C)Cc2nc3c(s2)CCCC3)cc1 CC(C)O[*:1] CN(Cc1nc2CCCCc2s1)C(=O)NCc1ccc(cc1)[*:1]
C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)Cc2ccccc2F)C1 Fc1ccccc1[*:1] C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)C[*:1])C1
C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)Cc2ccccc2F)C1 Fc1ccccc1C[*:1] C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)[*:1])C1
CC(C)Nc1nnc(S[C@H]2CCCCNC2=O)s1 CC(C)N[*:1] O=C1NCCCC[C@@H]1Sc1nnc(s1)[*:1]
CC(C)Nc1nnc(S[C@H]2CCCCNC2=O)s1 CC(C)[*:1] O=C1NCCCC[C@@H]1Sc1nnc(N[*:1])s1
CC(C)CONC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 CC(C)[*:1] O=C(NOC[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
CC(C)CONC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 CC(C)C[*:1] O=C(NO[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
CC(C)C[C@@H](C[NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C CC(C)[*:1] C[C@@H]1CCN(C(=O)[C@H](C[NH3+])C[*:1])[C@H](C)C1
CC(C)C[C@@H](C[NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C CC(C)C[*:1] C[C@@H]1CCN(C(=O)[C@H](C[NH3+])[*:1])[C@H](C)C1
O=C(NCCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)Nc1ccccc1 Clc1cccc(c1)[*:1] O=C(NCC[*:1])[C@@H]1CCCN1C(=O)Nc1ccccc1
O=C(NCCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)Nc1ccccc1 Clc1cccc(c1)C[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)Nc1ccccc1
O=C(NCCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)N[*:1]
Cc1ccc([C@@H](NC(=O)CS(=O)(=O)c2cccc(F)c2)C2CC2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)CS(=O)(=O)[*:1])C1CC1
Cc1ccc([C@@H](NC(=O)CS(=O)(=O)c2cccc(F)c2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](NC(=O)CS(=O)(=O)c1cccc(F)c1)[*:1]
Cc1ccc([C@@H](NC(=O)CS(=O)(=O)c2cccc(F)c2)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1cccc(F)c1)N[C@@H](C1CC1)[*:1]
Cc1cc(CCNC(=O)Nc2ccccc2F)on1 Cc1cc(on1)[*:1] O=C(NCC[*:1])Nc1ccccc1F
Cn1c(SCc2ccc(OC(F)(F)F)cc2)n[nH]c1=O FC(F)(F)O[*:1] Cn1c(n[nH]c1=O)SCc1ccc(cc1)[*:1]
Cn1c(SCc2ccc(OC(F)(F)F)cc2)n[nH]c1=O FC(F)(F)[*:1] Cn1c(n[nH]c1=O)SCc1ccc(cc1)O[*:1]
N#Cc1ccc(Sc2csc(C(=O)[O-])c2)c(F)c1 O=C([O-])[*:1] N#Cc1ccc(Sc2csc(c2)[*:1])c(F)c1
COc1cc(NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)cc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)[N+](=O)[O-])NC(=O)c1c(nn(-c2ccccc2)c1C)[*:1]
COc1cc(NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cc(cc(c1)[*:1])NC(=O)c1c(nn(-c2ccccc2)c1C)-c1ccccc1
COc1cc(NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2C)cc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)[N+](=O)[O-])NC(=O)c1c(nn(c1C)[*:1])-c1ccccc1
CN1C(=O)c2cccc3cc(S(=O)(=O)OCCN4C(=O)c5ccccc5C4=O)cc(c23)C1=O O=C1c2ccccc2C(=O)N1[*:1] CN1C(=O)c2cccc3cc(cc(C1=O)c23)S(=O)(=O)OCC[*:1]
Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](CC(=O)N[*:1])S(=O)(=O)c1ccc2S[C@H](C)C(=O)Nc2c1
Cc1cc2ccccc2[nH+]c1N1CCO[C@H](/C(N)=N/O)C1 N/C(=N\O)[*:1] Cc1cc2ccccc2[nH+]c1N1CCO[C@H](C1)[*:1]
CCN(C(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1)c1cccc2ccccc12 c1coc(c1)[*:1] CCN(C(=O)c1ccc(cc1)NC(=S)NC(=O)[*:1])c1cccc2ccccc12
CCN(C(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1)c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] CCN(C(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccco1)[*:1]
CCc1nncn1CCNC(=O)NCC1([O-])CCC1 [O-]C1(CCC1)[*:1] CCc1nncn1CCNC(=O)NC[*:1]
CCc1nncn1CCNC(=O)NCC1([O-])CCC1 [O-]C1(CCC1)C[*:1] CCc1nncn1CCNC(=O)N[*:1]
COC[C@H](C)NC(=O)Nc1cnn(C(C)C)c1 CC(C)[*:1] COC[C@H](C)NC(=O)Nc1cnn(c1)[*:1]
COC[C@H](C)NC(=O)Nc1cnn(C(C)C)c1 COC[*:1] CC(C)n1cc(cn1)NC(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)Nc1cnn(C(C)C)c1 COC[C@H](C)[*:1] CC(C)n1cc(cn1)NC(=O)N[*:1]
Cc1cccc(/C=N/NC(=O)Cn2ccc3ccccc32)c1 Cc1cccc(c1)[*:1] O=C(Cn1ccc2ccccc21)NN=C[*:1]
CCN(Cc1ccc(C(=O)NC)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1ccc(cc1)C(=O)NC)[*:1]
CCN(Cc1ccc(C(=O)NC)cc1)c1ccccc1 CNC(=O)[*:1] CCN(Cc1ccc(cc1)[*:1])c1ccccc1
O=C(CSc1nnc2n(C[C@@H]3CCCO3)c(=O)c3sccc3n12)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CSc1nnc2n(C[C@@H]3CCCO3)c(=O)c3sccc3n12)N[*:1]
O=C(CSc1nnc2n(C[C@@H]3CCCO3)c(=O)c3sccc3n12)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] O=c1c2sccc2n2c(nnc2n1C[C@@H]1CCCO1)SC[*:1]
CC[C@H](NC[C@H](O)c1ccccc1)c1ccccc1OC c1ccc(cc1)[*:1] CC[C@H](NC[C@H](O)[*:1])c1ccccc1OC
C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)NC[*:1]
C[C@H](OC(=O)c1ccco1)c1cccc(F)c1 c1coc(c1)[*:1] C[C@H](OC(=O)[*:1])c1cccc(F)c1
C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1cccc(c1)C[NH+](C)C)O[*:1]
C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Oc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] C[C@H](CNC(=O)c1cccc(c1)C[NH+](C)C)[*:1]
CCCc1cc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)n(C)n1 C1CC1[*:1] CCCc1cc(NC(=O)N[C@@H](Cc2ccccc2)[*:1])n(C)n1
CCCc1cc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)n(C)n1 c1ccc(cc1)[*:1] CCCc1cc(NC(=O)N[C@@H](C[*:1])C2CC2)n(C)n1
CCCc1cc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)N[C@@H](Cc1ccccc1)C1CC1)[*:1]
CCCc1cc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)n(C)n1 c1ccc(cc1)C[*:1] CCCc1cc(NC(=O)N[C@@H](C2CC2)[*:1])n(C)n1
CCCOc1ccc(NC(=O)c2ccsc2)cc1 c1cc(cs1)[*:1] CCCOc1ccc(cc1)NC(=O)[*:1]
CCCOc1ccc(NC(=O)c2ccsc2)cc1 CCCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccsc1
CCCOc1ccc(NC(=O)c2ccsc2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccsc1
Cc1cccc(NC(=O)NCC(=O)Nc2cccc(N3CCOC3=O)c2)c1 O=C1OCCN1[*:1] Cc1cccc(c1)NC(=O)NCC(=O)Nc1cccc(c1)[*:1]
Cc1cccc(NC(=O)NCC(=O)Nc2cccc(N3CCOC3=O)c2)c1 Cc1cccc(c1)[*:1] O=C(CNC(=O)N[*:1])Nc1cccc(c1)N1CCOC1=O
Cc1cc(C)n(-c2cccc(NC(=O)NC[C@H](C)C#N)c2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](C#N)CNC(=O)Nc1cccc(c1)[*:1]
CCC[NH2+][C@@H](Cc1[nH+]ccn1CC)c1ccc(F)cc1F CCC[*:1] CCn1cc[nH+]c1C[C@H]([NH2+][*:1])c1ccc(F)cc1F
Cn1ccc(NC(=O)C(=O)NCCc2cnn(-c3ccccc3)c2)n1 c1ccc(cc1)[*:1] Cn1ccc(n1)NC(=O)C(=O)NCCc1cnn(c1)[*:1]
Cn1ccc(NC(=O)C(=O)NCCc2cnn(-c3ccccc3)c2)n1 Cn1ccc(n1)[*:1] O=C(NCCc1cnn(c1)-c1ccccc1)C(=O)N[*:1]
CCOC(=O)C1=C(C)[C@H](S(=O)(=O)N[C@H](C)CC)C(C)=N1 CCOC(=O)[*:1] CC[C@@H](C)NS(=O)(=O)[C@@H]1C(C)=NC(=C1C)[*:1]
CCOC(=O)C1=C(C)[C@H](S(=O)(=O)N[C@H](C)CC)C(C)=N1 CC[C@@H](C)[*:1] CCOC(=O)C1N=C(C)[C@H](C=1C)S(=O)(=O)N[*:1]
COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] COc1cc(OC)c(cc1/C=C/C(=O)N1CCN(CC1)C[*:1])OC
COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 c1ccc2sc(C[*:1])nc2c1 COc1cc(OC)c(cc1/C=C/C(=O)N1CCN(CC1)[*:1])OC
O=C(NCCC(F)(F)F)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 FC(F)(F)[*:1] O=C(NCC[*:1])N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
O=C(NCCC(F)(F)F)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 FC(F)(F)CC[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
O=C(NCCC(F)(F)F)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 FC(F)(F)C[*:1] O=C(NC[*:1])N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
CC(=O)c1ccc(/N=C2\SCCCN2C(=O)CCc2ccccc2)cc1 CC(=O)[*:1] O=C(CCc1ccccc1)N1CCCS/C1=N\c1ccc(cc1)[*:1]
CC(=O)c1ccc(/N=C2\SCCCN2C(=O)CCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)/N=C1\SCCCN1C(=O)CC[*:1]
CC(=O)c1ccc(/N=C2\SCCCN2C(=O)CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)/N=C1\SCCCN1C(=O)C[*:1]
CC(=O)c1ccc(/N=C2\SCCCN2C(=O)CCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] CC(=O)c1ccc(cc1)/N=C1\SCCCN1C(=O)[*:1]
COc1cccc(-c2cc(-c3cccc(F)c3)nc(N)n2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)-c1cc(nc(N)n1)[*:1]
Cc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](c1ccc(cc1)S(C)(=O)=O)N(C)C(=O)N[C@@H](C)[*:1]
Cc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)[C@H](C)NC(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
C[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)Cc2ccccc2C(=O)O1 O=[N+]([O-])[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)N1CCc2ccc(cc2C1)[*:1]
CC[NH+]1CCN(c2ncnc3sc(C(=O)NC4CCCC4)c(C)c23)CC1 O=C(NC1CCCC1)[*:1] CC[NH+]1CCN(CC1)c1ncnc2sc(c(C)c12)[*:1]
CC[NH+]1CCN(c2ncnc3sc(C(=O)NC4CCCC4)c(C)c23)CC1 C1CCC(C1)[*:1] CC[NH+]1CCN(CC1)c1ncnc2sc(C(=O)N[*:1])c(C)c12
COc1cccc(CNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nnc(s1)N1CCCC1=O
COc1cccc(CNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)c1 COc1cccc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nnc(s1)N1CCCC1=O
COc1cccc(CNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)c1 O=C1CCCN1[*:1] COc1cccc(c1)CNC(=O)[C@H]1CCCN(C1)c1nnc(s1)[*:1]
O=C(Cn1c(=O)oc2ccccc21)NC[C@@H](c1ccco1)[NH+]1CCCCC1 c1coc(c1)[*:1] O=C(Cn1c(=O)oc2ccccc21)NC[C@@H]([NH+]1CCCCC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)Nc3cccc(F)c3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)[C@@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)Nc3cccc(F)c3)CC2)cc1 O=C(Nc1cccc(F)c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)Nc3cccc(F)c3)CC2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@H]1C(=O)N[*:1]
CCOc1ccc(-c2c[nH+]c(N)cc2C(=O)[O-])c(Cl)c1 O=C([O-])[*:1] CCOc1ccc(c(Cl)c1)-c1c[nH+]c(N)cc1[*:1]
CCOc1ccc(-c2c[nH+]c(N)cc2C(=O)[O-])c(Cl)c1 CCO[*:1] Nc1cc(C(=O)[O-])c(c[nH+]1)-c1ccc(cc1Cl)[*:1]
COc1ccc2ccccc2c1CN(Cc1cccnc1)C[C@H]1CCCO1 c1cncc(c1)[*:1] COc1ccc2ccccc2c1CN(C[C@H]1CCCO1)C[*:1]
COc1ccc2ccccc2c1CN(Cc1cccnc1)C[C@H]1CCCO1 c1cncc(c1)C[*:1] COc1ccc2ccccc2c1CN(C[C@H]1CCCO1)[*:1]
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C=C1CCSCC1 CC(C)[*:1] N#Cc1ccc(cc1)CN(C(=O)C=C1CCSCC1)[*:1]
Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)o1 Cc1ccccc1[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)Nc1ccc(Cl)cc1
Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] Cc1ccccc1-c1nnc(o1)S[C@@H](C)C(=O)N[*:1]
COc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1 c1coc(c1)[*:1] COc1cccc(c1)-n1nnnc1SCC(=O)NC[*:1]
COc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] COc1cccc(c1)-n1nnnc1SCC(=O)N[*:1]
COc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1 COc1cccc(c1)[*:1] O=C(CSc1nnnn1[*:1])NCc1ccco1
CS[C@H]1CC[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 N#Cc1ccccc1[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)OC[*:1]
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2cccnc2)o1 c1cncc(c1)[*:1] Cc1ccc(o1)-c1nn(cc1C(=O)NNC(=O)[*:1])-c1ccccc1
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2cccnc2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)-c1nn(cc1C(=O)NNC(=O)c1cccnc1)[*:1]
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2cccnc2)o1 Cc1ccc(o1)[*:1] O=C(NNC(=O)c1cn(nc1[*:1])-c1ccccc1)c1cccnc1
O=C(CCn1cncn1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(CCn1cncn1)Nc1n[nH]c2ccc(cc12)[*:1]
O=C(CCn1cncn1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 c1ncn(C[*:1])n1 O=C(C[*:1])Nc1n[nH]c2ccc(cc12)[N+](=O)[O-]
O=C(CCn1cncn1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 c1ncn(CC[*:1])n1 O=C(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
O=C(CCn1cncn1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 c1ncn(n1)[*:1] O=C(CC[*:1])Nc1n[nH]c2ccc(cc12)[N+](=O)[O-]
Brc1cccc(NC2=NN=C(c3ccccc3)CS2)c1 c1ccc(cc1)[*:1] Brc1cccc(c1)NC1=NN=C(CS1)[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1CSC CSC[*:1] CCc1nn(C)cc1CNC(=O)N1CCC[C@H]1[*:1]
Cc1ccccc1-c1nnc2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n12 O=[N+]([O-])[*:1] Cc1ccccc1-c1nnc2s/c(=C/c3ccc(cc3)[*:1])c(=O)n12
Cc1ccccc1-c1nnc2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n12 Cc1ccccc1[*:1] O=c1/c(=C\c2ccc(cc2)[N+](=O)[O-])sc2nnc(n12)[*:1]
CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ncn3n2)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] CCOc1ccc(cc1)-c1cc2c(=O)n(C[*:1])ncn2n1
CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ncn3n2)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1cc2c(=O)n(CC(=O)N[*:1])ncn2n1
CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ncn3n2)cc1 CCO[*:1] O=C(Cn1ncn2nc(cc2c1=O)-c1ccc(cc1)[*:1])Nc1ccc(Cl)cc1
CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ncn3n2)cc1 CCOc1ccc(cc1)[*:1] O=C(Cn1ncn2nc(cc2c1=O)[*:1])Nc1ccc(Cl)cc1
C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1ccccc1N(C)C CN(C)[*:1] C[C@@H]([NH2+]Cc1ccc(nc1)N1CCCCCC1)c1ccccc1[*:1]
C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1ccccc1N(C)C C1CCCN(CC1)[*:1] C[C@@H]([NH2+]Cc1ccc(nc1)[*:1])c1ccccc1N(C)C
COc1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)N1CC(=O)C(=C1N)c1nc(cs1)[*:1]
COc1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 COc1ccc(cc1)[*:1] NC1=C(C(=O)CN1[*:1])c1nc(cs1)-c1ccc(Cl)cc1
CC(C)[C@H](C)CC(=O)N1CCC[C@H](O)C1 CC(C)[C@H](C)[*:1] O=C(C[*:1])N1CCC[C@H](O)C1
CC(C)[C@H](C)CC(=O)N1CCC[C@H](O)C1 CC(C)[*:1] C[C@H](CC(=O)N1CCC[C@H](O)C1)[*:1]
Cc1c(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cccc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1c(cccc1[*:1])NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl
Cc1c(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cccc1C(=O)N1CCOCC1 Clc1ccc(c(Cl)c1)[*:1] Cc1c(cccc1C(=O)N1CCOCC1)NC(=O)N[C@H](C)[*:1]
C[C@H](CNC(=O)N[C@@H](CO)c1ccco1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)N[C@@H](CO)c1ccco1)[*:1]
C[C@H](CNC(=O)N[C@@H](CO)c1ccco1)c1ccsc1 c1coc(c1)[*:1] C[C@H](CNC(=O)N[C@@H](CO)[*:1])c1ccsc1
CCc1ccsc1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] CCc1ccsc1CNS(=O)(=O)N1CCC(CC1)[*:1]
CCc1ccsc1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 CCc1ccsc1[*:1] O=C([O-])C1CCN(CC1)S(=O)(=O)NC[*:1]
COCCNc1nc2cc(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4=O)ccc2n1C COC[*:1] CN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)c1ccc2c(c1)nc(NC[*:1])n2C
COCCNc1nc2cc(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4=O)ccc2n1C COCC[*:1] CN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)c1ccc2c(c1)nc(N[*:1])n2C
COCCNc1nc2cc(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4=O)ccc2n1C COCCN[*:1] CN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)c1ccc2c(c1)nc(n2C)[*:1]
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 Cc1ccc(C#N)cc1[*:1] O=C(N[*:1])C(=O)N1CCC[C@H](C1)Nc1ccccc1
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](C1)N[*:1]
NC(=O)c1cc(OC2CCN(c3ncc(Cl)cc3F)CC2)ccn1 Fc1cc(Cl)cnc1[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)[*:1]
NC(=O)c1cc(OC2CCN(c3ncc(Cl)cc3F)CC2)ccn1 NC(=O)[*:1] Fc1cc(Cl)cnc1N1CCC(CC1)Oc1ccnc(c1)[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 Cc1[nH]c(=O)[nH]c(=O)c1[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1[nH]ncc1-c1ccccc1
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@@H](C1)c1[nH]ncc1[*:1]
Cc1nn(C)c(C)c1NC(=O)CN(c1ccccc1F)C1CCCC1 Cc1nn(C)c(C)c1[*:1] O=C(CN(c1ccccc1F)C1CCCC1)N[*:1]
Cc1nn(C)c(C)c1NC(=O)CN(c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] Cc1nn(C)c(C)c1NC(=O)CN(C1CCCC1)[*:1]
Cc1nn(C)c(C)c1NC(=O)CN(c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] Cc1nn(C)c(C)c1NC(=O)CN(c1ccccc1F)[*:1]
C[C@H]1C[NH+](c2nc3sccn3c2C[NH2+]C2CC2)C[C@@H]1C C1CC1[*:1] C[C@H]1C[NH+](C[C@@H]1C)c1nc2sccn2c1C[NH2+][*:1]
COCCCN(C(=O)c1ccoc1C)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] Cc1occc1C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)c1ccoc1C)[C@@H]1CCS(=O)(=O)C1 COCCC[*:1] Cc1occc1C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COCCCN(C(=O)c1ccoc1C)[C@@H]1CCS(=O)(=O)C1 Cc1occc1[*:1] COCCCN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)c1ccoc1C)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] COCCCN(C(=O)c1ccoc1C)[*:1]
COCCCN(C(=O)c1ccoc1C)[C@@H]1CCS(=O)(=O)C1 COC[*:1] Cc1occc1C(=O)N(CC[*:1])[C@@H]1CCS(=O)(=O)C1
CCOC(=O)C1CC[NH+](Cn2nc(CSC)oc2=S)CC1 CCOC(=O)[*:1] CSCc1nn(C[NH+]2CCC(CC2)[*:1])c(=S)o1
CCOC(=O)C1CC[NH+](Cn2nc(CSC)oc2=S)CC1 CSC[*:1] CCOC(=O)C1CC[NH+](CC1)Cn1nc(oc1=S)[*:1]
Cc1ncsc1C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 c1ccc(cc1)C[*:1] Cc1ncsc1C(=O)N1CCC[C@H]1c1nc(C)c2CCC(=O)N(c2n1)[*:1]
Cc1ncsc1C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 c1ccc(cc1)[*:1] Cc1ncsc1C(=O)N1CCC[C@H]1c1nc(C)c2CCC(=O)N(C[*:1])c2n1
Cc1ncsc1C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 Cc1ncsc1[*:1] Cc1nc(nc2c1CCC(=O)N2Cc1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
Cc1ncsc1CNC(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] Cc1ncsc1CNC(=O)N(C)[C@H](C)[*:1]
Cc1ncsc1CNC(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] Cc1ncsc1CNC(=O)N(C)[C@H](C)C[*:1]
Cc1ncsc1CNC(=O)N(C)[C@H](C)Cc1cccs1 Cc1ncsc1[*:1] C[C@H](Cc1cccs1)N(C)C(=O)NC[*:1]
O=C([O-])c1cc(-c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)nc2c(Cl)cccc12 O=C([O-])[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(cc1)-c1cc(c2cccc(Cl)c2n1)[*:1]
CCn1c(C(=O)NC(C)(C)c2ncc(C)s2)cc2ccccc21 Cc1cnc(s1)[*:1] CCn1c(cc2ccccc21)C(=O)NC(C)(C)[*:1]
C[C@]1(CO)CCCN(C(=O)Nc2ccnn2Cc2ccccn2)C1 c1ccc(C[*:1])nc1 C[C@]1(CO)CCCN(C1)C(=O)Nc1ccnn1[*:1]
C[C@]1(CO)CCCN(C(=O)Nc2ccnn2Cc2ccccn2)C1 c1ccc(nc1)[*:1] C[C@]1(CO)CCCN(C1)C(=O)Nc1ccnn1C[*:1]
CCCCC(=O)Nc1ccc(C(=O)N[C@H]2CCCN(C(=O)C3CC3)C2)cc1 CCC[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)N[C@H]1CCCN(C1)C(=O)C1CC1
CCCCC(=O)Nc1ccc(C(=O)N[C@H]2CCCN(C(=O)C3CC3)C2)cc1 CCCC[*:1] O=C(N[C@H]1CCCN(C1)C(=O)C1CC1)c1ccc(cc1)NC(=O)[*:1]
CCCCC(=O)Nc1ccc(C(=O)N[C@H]2CCCN(C(=O)C3CC3)C2)cc1 C1CC1[*:1] CCCCC(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCCN(C1)C(=O)[*:1]
CCCCC(=O)Nc1ccc(C(=O)N[C@H]2CCCN(C(=O)C3CC3)C2)cc1 CCCCC(=O)N[*:1] O=C(N[C@H]1CCCN(C1)C(=O)C1CC1)c1ccc(cc1)[*:1]
CCc1nccc(CN2CCC[C@H](c3nn(C)c(=O)n3CC)C2)n1 CCc1nccc(n1)[*:1] CCn1c(nn(C)c1=O)[C@H]1CCCN(C1)C[*:1]
C[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1ccco1 C[S@](=O)[*:1] C[C@H]([NH2+]CC[C@@H](C)[*:1])c1ccco1
C[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1ccco1 C[C@@H]([S@](C)=O)[*:1] C[C@H]([NH2+]CC[*:1])c1ccco1
C[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1ccco1 c1coc(c1)[*:1] C[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2cccnc2Cl)cc1OC Clc1ncccc1[*:1] COc1ccc(cc1OC)-c1nn(cc1C=N[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2cccnc2Cl)cc1OC COc1ccc(cc1OC)[*:1] Clc1ncccc1/N=C/c1cn(nc1[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2cccnc2Cl)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nn(cc1/C=N/c1cccnc1Cl)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2cccnc2Cl)cc1OC Clc1ncccc1N=C[*:1] COc1ccc(cc1OC)-c1nn(cc1[*:1])-c1ccccc1
CN(Cc1cccc(Cl)c1)C(=O)C[C@@H](NC(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cccc(Cl)c1)C(=O)C[C@@H](NC(N)=O)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)C[C@@H](NC(N)=O)c1ccccc1 Clc1cccc(c1)C[*:1] CN(C(=O)C[C@@H](NC(N)=O)c1ccccc1)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)C[C@@H](NC(N)=O)c1ccccc1 NC(=O)N[*:1] CN(Cc1cccc(Cl)c1)C(=O)C[C@@H](c1ccccc1)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)C[C@@H](NC(N)=O)c1ccccc1 Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)C[C@@H](NC(N)=O)c1ccccc1
O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2ccccc2F)o1 Fc1ccccc1[*:1] O=C(Nc1nc(cs1)-c1ccccc1)c1ccc(o1)[*:1]
O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2ccccc2F)o1 c1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(o1)-c1ccccc1F
c1ccc(SC[C@H]2CCN(c3ncccn3)C2)cc1 c1ccc(cc1)[*:1] c1cnc(nc1)N1CC[C@H](CS[*:1])C1
c1ccc(SC[C@H]2CCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] c1ccc(cc1)SC[C@H]1CCN(C1)[*:1]
O=C(Nc1cccnc1)C(=O)N1CC[C@H](OCCCc2ccccc2)C1 c1cncc(c1)[*:1] O=C(N[*:1])C(=O)N1CC[C@@H](C1)OCCCc1ccccc1
O=C(Nc1cccnc1)C(=O)N1CC[C@H](OCCCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Nc1cccnc1)C(=O)N1CC[C@@H](C1)OCC[*:1]
O=C(Nc1cccnc1)C(=O)N1CC[C@H](OCCCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(Nc1cccnc1)C(=O)N1CC[C@@H](C1)OC[*:1]
O=C(Nc1cccnc1)C(=O)N1CC[C@H](OCCCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1cccnc1)C(=O)N1CC[C@@H](C1)OCCC[*:1]
CC(C)n1ncnc1CS(=O)(=O)c1cccc(F)c1 CC(C)[*:1] O=S(=O)(Cc1ncnn1[*:1])c1cccc(F)c1
Cc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H](C)n1c(=O)oc2ccccc21 CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)n1c(=O)oc2ccccc21)[*:1]
Cc1nc(COc2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)cs1 Cc1nc(cs1)CO[*:1] O=C(Nc1cccc(c1)C(=O)NC1CC1)c1ccc(cc1)[*:1]
Cc1nc(COc2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)cs1 C1CC1[*:1] Cc1nc(cs1)COc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1nc(COc2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)cs1 Cc1nc(cs1)C[*:1] O=C(Nc1cccc(c1)C(=O)NC1CC1)c1ccc(cc1)O[*:1]
Cc1nc(COc2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1cccc(c1)C(=O)NC1CC1)c1ccc(cc1)OC[*:1]
Cc1nc(COc2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)cs1 O=C(NC1CC1)[*:1] Cc1nc(cs1)COc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](OCC(F)(F)F)C(=O)N(C)c1ccccc1S(C)(=O)=O FC(F)(F)C[*:1] C[C@H](O[*:1])C(=O)N(C)c1ccccc1S(C)(=O)=O
C[C@H](OCC(F)(F)F)C(=O)N(C)c1ccccc1S(C)(=O)=O FC(F)(F)[*:1] C[C@H](OC[*:1])C(=O)N(C)c1ccccc1S(C)(=O)=O
C[C@H](OCC(F)(F)F)C(=O)N(C)c1ccccc1S(C)(=O)=O FC(F)(F)CO[*:1] C[C@H](C(=O)N(C)c1ccccc1S(C)(=O)=O)[*:1]
C[C@H](OCC(F)(F)F)C(=O)N(C)c1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](OCC(F)(F)F)C(=O)N(C)c1ccccc1[*:1]
Nc1nnc(SCc2csc(-c3ccc4c(c3)OCO4)n2)s1 Nc1nnc(s1)[*:1] c1cc2OCOc2cc1-c1nc(cs1)CS[*:1]
Nc1nnc(SCc2csc(-c3ccc4c(c3)OCO4)n2)s1 Nc1nnc(S[*:1])s1 c1cc2OCOc2cc1-c1nc(cs1)C[*:1]
O=C(Cn1nc2c(Oc3cccc(Cl)c3)nccn2c1=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(Cn1nc2c(nccn2c1=O)Oc1cccc(Cl)c1)N[*:1]
O=C(Cn1nc2c(Oc3cccc(Cl)c3)nccn2c1=O)Nc1ccc(F)c(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cn1nc2c(nccn2c1=O)O[*:1])Nc1ccc(F)c(Cl)c1
O=C(Cn1nc2c(Oc3cccc(Cl)c3)nccn2c1=O)Nc1ccc(F)c(Cl)c1 Clc1cccc(c1)O[*:1] O=C(Cn1nc2c(nccn2c1=O)[*:1])Nc1ccc(F)c(Cl)c1
Cc1occc1C(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CCSC3 Cc1occc1[*:1] O=C(Cc1nc2sc3CSCCc3c2c(=O)[nH]1)[*:1]
Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl CN(C)C(=O)[*:1] Cc1oncc1[N-]S(=O)(=O)c1cc(ccc1Cl)[*:1]
CCOC(=O)c1ccc(CNS(=O)(=O)N2CCCCCC2)o1 CCOC(=O)[*:1] O=S(=O)(NCc1ccc(o1)[*:1])N1CCCCCC1
CC(C)C[C@@H](C(=O)[O-])[C@@H]1CCC[C@@H](C)C1 O=C([O-])[*:1] CC(C)C[C@@H]([C@@H]1CCC[C@@H](C)C1)[*:1]
CC(C)C[C@@H](C(=O)[O-])[C@@H]1CCC[C@@H](C)C1 CC(C)C[*:1] C[C@@H]1CCC[C@H](C1)[C@H](C(=O)[O-])[*:1]
CC(C)C[C@@H](C(=O)[O-])[C@@H]1CCC[C@@H](C)C1 CC(C)[*:1] C[C@@H]1CCC[C@H](C1)[C@@H](C[*:1])C(=O)[O-]
Cc1csc(CCNc2nc(Br)cn3ccnc23)n1 Cc1csc(n1)[*:1] Brc1cn2ccnc2c(n1)NCC[*:1]
Cn1c(CS(=O)(=O)c2cccc(C(F)(F)F)c2)nnc1C1CC1 C1CC1[*:1] Cn1c(CS(=O)(=O)c2cccc(c2)C(F)(F)F)nnc1[*:1]
Cn1c(CS(=O)(=O)c2cccc(C(F)(F)F)c2)nnc1C1CC1 FC(F)(F)[*:1] Cn1c(CS(=O)(=O)c2cccc(c2)[*:1])nnc1C1CC1
N#Cc1ccnc(NCc2ccccc2-n2ccnc2)c1[N+](=O)[O-] c1cn(cn1)[*:1] N#Cc1ccnc(NCc2ccccc2[*:1])c1[N+](=O)[O-]
N#Cc1ccnc(NCc2ccccc2-n2ccnc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] N#Cc1ccnc(NCc2ccccc2-n2ccnc2)c1[*:1]
COC(=O)c1sc2nc(C)nc(S[C@H](C(=O)C3=c4ccccc4=[NH+]C3)c3ccccc3)c2c1C COC(=O)[*:1] Cc1nc(S[C@H](C(=O)C2C[NH+]=c3ccccc3=2)c2ccccc2)c2c(C)c(sc2n1)[*:1]
COC(=O)c1sc2nc(C)nc(S[C@H](C(=O)C3=c4ccccc4=[NH+]C3)c3ccccc3)c2c1C c1ccc(cc1)[*:1] COC(=O)c1sc2nc(C)nc(S[C@H](C(=O)C3C[NH+]=c4ccccc4=3)[*:1])c2c1C
O=C(Cn1nnc(-c2ccccc2)n1)OCC(=O)c1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])OCC(=O)c1ccc(Cl)c(Cl)c1
O=C(Cn1nnc(-c2ccccc2)n1)OCC(=O)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(Cn1nnc(n1)-c1ccccc1)OCC(=O)[*:1]
O=C(NC[C@H](O)c1ccc2ccccc2c1)[C@@H]1C[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(NC[C@H](O)c1ccc2ccccc2c1)[C@@H]1C[C@H]1[*:1]
CC(C)(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 CC(C)(C)[*:1] O=c1ccc(cn1CC[NH2+][C@H](c1ccc(F)cc1)[*:1])[N+](=O)[O-]
CC(C)(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)[C@H]([NH2+]CCn1cc(ccc1=O)[N+](=O)[O-])[*:1]
CC(C)(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 O=[N+]([O-])[*:1] CC(C)(C)[C@H]([NH2+]CCn1cc(ccc1=O)[*:1])c1ccc(F)cc1
Cc1ccc2ncc(C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)n2c1 C1CO[C@H](C1)[*:1] Cc1ccc2ncc(C(=O)N3CCO[C@H](C3)[*:1])n2c1
CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 CC(C)(C)[*:1] O=C(N[*:1])c1cc(on1)-c1ccc(Cl)cc1Cl
CC(=O)N1CCN(C(=O)CC[NH2+][C@H](C)C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] CC(=O)N1CCN(CC1)C(=O)CC[NH2+][C@H](C)[*:1]
CC(=O)N1CCN(C(=O)CC[NH2+][C@H](C)C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] CC(=O)N1CCN(CC1)C(=O)CC[NH2+][C@H](C)C[*:1]
C[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1c2ccsc2CCN1S(=O)(=O)[*:1]
CN(c1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1F NS(=O)(=O)[*:1] CN(c1ccc(cc1)[*:1])S(=O)(=O)c1ccc(Cl)cc1F
Cc1occc1C(=O)NCC(=O)NNC(=S)N[C@@H]1CCCC[C@@H]1C Cc1occc1[*:1] C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)CNC(=O)[*:1]
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1 CCOC(=O)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc(cc1)-n1cccn1
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1 c1cnn(c1)[*:1] CCOC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
CC/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(C)cc1 c1ccc(cc1)[*:1] CC/C(=N\NC(=O)[C@H]1C[C@H]1[*:1])c1ccc(C)cc1
CC/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCC(=NNC(=O)[C@H]1C[C@@H]1c1ccccc1)[*:1]
O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)c2ccco2)C1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccco1
O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)c2ccco2)C1 c1coc(c1)[*:1] O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)c2ccco2)C1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1ccco1
CC(C)(C)Oc1cc(CNC(=O)NC[C@H]2CCC[C@H](O)C2)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])NC[C@H]1CCC[C@H](O)C1
CC(C)(C)Oc1cc(CNC(=O)NC[C@H]2CCC[C@H](O)C2)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])NC[C@H]1CCC[C@H](O)C1
CCc1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)n1 CCc1n[nH]c(n1)[*:1] Cc1ccc(cc1Cl)NC(=O)[C@H](C)S[*:1]
C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCC[C@@H]1c1cccc(Br)c1 C[C@H]1C[C@@H]1[*:1] O=C(CCNC(=O)[*:1])N1CCC[C@@H]1c1cccc(Br)c1
C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCC[C@@H]1c1cccc(Br)c1 C[C@H]1C[C@H]1C(=O)N[*:1] O=C(CC[*:1])N1CCC[C@@H]1c1cccc(Br)c1
C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCC[C@@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@H]1C[C@H]1C(=O)NCCC(=O)N1CCC[C@H]1[*:1]
O=C(NCCc1ccsc1)c1noc2c1CCc1sccc1-2 c1cc(cs1)CC[*:1] O=C(N[*:1])c1noc2-c3ccsc3CCc12
O=C(NCCc1ccsc1)c1noc2c1CCc1sccc1-2 c1cc(cs1)C[*:1] O=C(NC[*:1])c1noc2-c3ccsc3CCc12
O=C(NCCc1ccsc1)c1noc2c1CCc1sccc1-2 c1cc(cs1)[*:1] O=C(NCC[*:1])c1noc2-c3ccsc3CCc12
Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc(cc1F)[*:1]
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 CNC(=O)C(C#N)=C[*:1] COc1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CNC(=O)/C(C#N)=C/c1cn(nc1[*:1])-c1ccccc1
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 CNC(=O)[*:1] COc1ccc(cc1)-c1nn(cc1C=C(C#N)[*:1])-c1ccccc1
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 c1ccc(cc1)[*:1] CNC(=O)/C(C#N)=C/c1cn(nc1-c1ccc(cc1)OC)[*:1]
C[C@@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1ccc2c(c1)CCC2 C[S@](=O)[*:1] C[C@@H]([NH2+]CC[C@@H](C)[*:1])c1ccc2CCCc2c1
Cc1ccccc1O[C@@H](C)CNC(=O)N[C@H](CO)c1ccccc1 Cc1ccccc1[*:1] C[C@@H](CNC(=O)N[C@H](CO)c1ccccc1)O[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N[C@H](CO)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)N[C@H](CO)[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N[C@H](CO)c1ccccc1 Cc1ccccc1O[*:1] C[C@@H](CNC(=O)N[C@H](CO)c1ccccc1)[*:1]
COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)N1CCCC1 CC(=O)N[*:1] COc1ccc(/C=C\c2onc(C)c2[*:1])cc1S(=O)(=O)N1CCCC1
COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1[*:1]
Cc1cccc(/C=C/C(=O)NC[C@H]2COc3ccccc3O2)c1 Cc1cccc(c1)[*:1] O=C(C=C[*:1])NC[C@H]1COc2ccccc2O1
CCCOc1cccc(NC(=O)[C@@](C)([NH3+])CC)c1 CCCO[*:1] CC[C@](C)([NH3+])C(=O)Nc1cccc(c1)[*:1]
CCCOc1cccc(NC(=O)[C@@](C)([NH3+])CC)c1 CCC[*:1] CC[C@](C)([NH3+])C(=O)Nc1cccc(c1)O[*:1]
COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C#N)o3)CC2)cc1 COc1ccc(cc1)[*:1] N#Cc1ccc(C[NH+]2CCC(CC2)C(=O)NC[*:1])o1
CC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N1c2ncnn2[C@@H](C[C@@H]1[*:1])c1ccc(Cl)cc1
CC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N1c2ncnn2[C@H](C[C@H]1c1ccc(Cl)cc1)[*:1]
Cc1cc(CN(C)C(=O)N2[C@@H](C)CCC[C@@H]2C)no1 Cc1cc(no1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)N(C)C[*:1]
Cn1cnnc1-c1cccc(NC(=O)c2cc(Cl)cc3cccnc23)c1 Cn1cnnc1[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(Cl)cc2cccnc12
Cc1cc2c(cc1S(=O)(=O)N(C)C1CCCCC1)OCC(=O)N2Cc1noc(C2CC2)n1 C1CCC(CC1)[*:1] Cc1cc2c(cc1S(=O)(=O)N(C)[*:1])OCC(=O)N2Cc1noc(n1)C1CC1
Cc1cc2c(cc1S(=O)(=O)N(C)C1CCCCC1)OCC(=O)N2Cc1noc(C2CC2)n1 C1CC1[*:1] Cc1cc2c(cc1S(=O)(=O)N(C)C1CCCCC1)OCC(=O)N2Cc1noc(n1)[*:1]
Cc1cc2c(cc1S(=O)(=O)N(C)C1CCCCC1)OCC(=O)N2Cc1noc(C2CC2)n1 C1CC1c1nc(no1)[*:1] Cc1cc2c(cc1S(=O)(=O)N(C)C1CCCCC1)OCC(=O)N2C[*:1]
Cc1cc2c(cc1S(=O)(=O)N(C)C1CCCCC1)OCC(=O)N2Cc1noc(C2CC2)n1 C1CC1c1nc(C[*:1])no1 Cc1cc2c(cc1S(=O)(=O)N(C)C1CCCCC1)OCC(=O)N2[*:1]
C[C@@H](NC(=O)C1CCC1)C(=O)O[C@@H](c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C1CCC1)C(=O)O[C@@H](c1ccncc1)[*:1]
C[C@@H](NC(=O)C1CCC1)C(=O)O[C@@H](c1ccccc1)c1ccncc1 O=C(N[*:1])C1CCC1 C[C@@H](C(=O)O[C@@H](c1ccccc1)c1ccncc1)[*:1]
C[C@@H](NC(=O)C1CCC1)C(=O)O[C@@H](c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)C1CCC1)C(=O)O[C@@H](c1ccccc1)[*:1]
C[C@@H](NC(=O)C1CCC1)C(=O)O[C@@H](c1ccccc1)c1ccncc1 C1CC(C1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)O[C@@H](c1ccccc1)c1ccncc1
C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)Cc2ccc(F)cc2)C[C@@H](C)O1 Fc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ncnc2c1cnn2CCNC(=O)C[*:1]
C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)Cc2ccc(F)cc2)C[C@@H](C)O1 Fc1ccc(cc1)C[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ncnc2c1cnn2CCNC(=O)[*:1]
Cc1ccc(OCCS(C)(=O)=O)c(CCl)n1 CS(=O)(=O)[*:1] Cc1ccc(OCC[*:1])c(CCl)n1
Cc1ccc(OCCS(C)(=O)=O)c(CCl)n1 CS(=O)(=O)C[*:1] Cc1ccc(OC[*:1])c(CCl)n1
C[C@@H](NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)c1ccco1 C[C@@H](NC(=O)[*:1])c1ccco1 O=C(C[C@@H]1SC(=NC1=O)N1CCCC1)Nc1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)NC(=O)C[C@@H]1SC(=NC1=O)N1CCCC1)[*:1]
C[C@@H](NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1)c1ccco1 C[C@@H](c1ccco1)[*:1] O=C(C[C@@H]1SC(=NC1=O)N1CCCC1)Nc1ccc(cc1)C(=O)N[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)NC[C@]2(O)CCc3ccccc32)cc1 CCC(=O)N[*:1] O=S(=O)(NC[C@]1(O)CCc2ccccc21)c1ccc(cc1)[*:1]
CCC[C@@H]1COCCN1C(=O)CN1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CCC[C@@H]1COCCN1C(=O)CN1CCN(CC1)[*:1]
CCC[C@@H]1COCCN1C(=O)CN1CCN(c2ncccn2)CC1 CCC[*:1] O=C(CN1CCN(CC1)c1ncccn1)N1CCOC[C@H]1[*:1]
COC(=O)[C@H](Cc1ccccc1)NC(=O)CCl COC(=O)[*:1] O=C(CCl)N[C@@H](Cc1ccccc1)[*:1]
COC(=O)[C@H](Cc1ccccc1)NC(=O)CCl O=C(CCl)N[*:1] COC(=O)[C@H](Cc1ccccc1)[*:1]
CCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2OC)c1 CCC(=O)N[*:1] COc1cc(Cl)ccc1C(=O)Nc1cccc(c1)[*:1]
CCCn1cc[nH+]c1CN1C[C@@H](C[NH+]2CCCCC2)[C@@H](CO)C1 CCC[*:1] OC[C@H]1CN(Cc2[nH+]ccn2[*:1])C[C@H]1C[NH+]1CCCCC1
C[C@H]1C[C@H]2CCCC[C@@H]2N1c1cncc(C(N)=O)n1 NC(=O)[*:1] C[C@H]1C[C@H]2CCCC[C@@H]2N1c1cncc(n1)[*:1]
Cc1csc(CN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C(C)C)n1 Cc1csc(C[*:1])n1 CC(C)[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1[*:1]
Cc1csc(CN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C(C)C)n1 Cc1csc(n1)[*:1] CC(C)[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1C[*:1]
Cc1csc(CN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C(C)C)n1 CC(C)[*:1] Cc1csc(CN2C(=O)[C@H]3CCCN3C(=O)[C@@H]2[*:1])n1
COc1cc(C2=N/C(=C\c3cccc(C(F)(F)F)c3)C(=O)O2)cc(OC)c1OC FC(F)(F)[*:1] COc1cc(cc(OC)c1OC)C1=N/C(=C\c2cccc(c2)[*:1])C(=O)O1
Cc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)Cc2cccs2)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)[C@@H](C)N(C)C(=O)N[C@H](C)[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)Cc2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@@H](C)N(C)C(=O)N[C@H](C)C[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)Cc2cccs2)cc1 Cc1ccc(cc1)[*:1] C[C@H](Cc1cccs1)NC(=O)N(C)[C@H](C)[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)N(C)C(C)C COC(=O)[*:1] CC(C)N(C)S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)N(C)C(C)C CC(C)[*:1] COC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)N(C)[*:1]
CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2)CC1 Brc1cccc(c1)[*:1] CCC[NH+]1CCC(CC1)NC(=O)C(=O)N[*:1]
CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Br)c2)CC1 CCC[*:1] O=C(Nc1cccc(Br)c1)C(=O)NC1CC[NH+](CC1)[*:1]
Cc1nccn1-c1cncc(N(C)CCCOc2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] Cc1nccn1-c1cncc(n1)N(C)CCCO[*:1]
Cc1nccn1-c1cncc(N(C)CCCOc2cccc(Cl)c2)n1 Clc1cccc(c1)O[*:1] Cc1nccn1-c1cncc(n1)N(C)CCC[*:1]
Cc1nccn1-c1cncc(N(C)CCCOc2cccc(Cl)c2)n1 Cc1nccn1[*:1] CN(CCCOc1cccc(Cl)c1)c1cncc(n1)[*:1]
CCC(=O)OCCN1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC(=O)OCCN1CCN(CC1)S(=O)(=O)[*:1]
CCC(=O)OCCN1CCN(S(=O)(=O)c2ccccc2)CC1 CCC(=O)O[*:1] O=S(=O)(c1ccccc1)N1CCN(CC1)CC[*:1]
CCC(=O)OCCN1CCN(S(=O)(=O)c2ccccc2)CC1 CCC(=O)OC[*:1] O=S(=O)(c1ccccc1)N1CCN(CC1)C[*:1]
CCC(=O)OCCN1CCN(S(=O)(=O)c2ccccc2)CC1 CCC(=O)OCC[*:1] O=S(=O)(c1ccccc1)N1CCN(CC1)[*:1]
O=C(N[C@@H]1CC=CCC1)c1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] O=C(N[C@@H]1CC=CCC1)c1cccc(c1)[*:1]
O=c1onc(-c2ccccc2)n1C[C@@H](O)CN1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)[*:1] O=c1onc(n1C[C@@H](O)CN1CCN(CC1)c1cccc[nH+]1)[*:1]
Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(N[*:1])c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 CCc1nccn1[*:1] O=C(CCCc1ccccc1)N1CCC[C@@H]1c1cncc(n1)[*:1]
CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 c1ccc(cc1)CCC[*:1] CCc1nccn1-c1cncc(n1)[C@H]1CCCN1C(=O)[*:1]
CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 c1ccc(cc1)C[*:1] CCc1nccn1-c1cncc(n1)[C@H]1CCCN1C(=O)CC[*:1]
CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 c1ccc(cc1)CC[*:1] CCc1nccn1-c1cncc(n1)[C@H]1CCCN1C(=O)C[*:1]
CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 c1ccc(cc1)[*:1] CCc1nccn1-c1cncc(n1)[C@H]1CCCN1C(=O)CCC[*:1]
Cc1cccc(N2C[C@@H](C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CC2=O)c1C Fc1cccc(c1)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1cccc(N2C[C@@H](C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CC2=O)c1C Cc1cccc(c1C)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(C1)[*:1])c1cccc(F)c1
CC(=O)NCc1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)s1 CC(=O)N[*:1] O=S(=O)(c1ccc(C[*:1])s1)N(C[C@@H]1CCOC1)C1CC1
CC(=O)NCc1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)s1 C1CC1[*:1] CC(=O)NCc1ccc(s1)S(=O)(=O)N(C[C@@H]1CCOC1)[*:1]
CC(=O)NCc1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)s1 CC(=O)NC[*:1] O=S(=O)(c1ccc(s1)[*:1])N(C[C@@H]1CCOC1)C1CC1
Cc1ccc(OCCNC(=O)c2cc(F)ccc2F)cc1 Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])c1cc(F)ccc1F
N#Cc1ccc(OC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)cc1 N#Cc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)c1ccc2CCCc2c1)O[*:1]
CC(C)OC(=O)CC1=NC(=O)C2=C[C@@H](c3ccccc3)SC2=N1 CC(C)[*:1] O=C(CC1=NC(=O)C2=C[C@H](SC2=N1)c1ccccc1)O[*:1]
CC(C)OC(=O)CC1=NC(=O)C2=C[C@@H](c3ccccc3)SC2=N1 CC(C)OC(=O)C[*:1] O=C1N=C(N=C2S[C@@H](C=C12)c1ccccc1)[*:1]
CC(C)OC(=O)CC1=NC(=O)C2=C[C@@H](c3ccccc3)SC2=N1 c1ccc(cc1)[*:1] CC(C)OC(=O)CC1=NC(=O)C2=C[C@@H](SC2=N1)[*:1]
CC(C)OC(=O)CC1=NC(=O)C2=C[C@@H](c3ccccc3)SC2=N1 CC(C)OC(=O)[*:1] O=C1N=C(C[*:1])N=C2S[C@@H](C=C12)c1ccccc1
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1F c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(cc1NC(=O)c1ccccc1F)[*:1]
COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1F Fc1ccccc1[*:1] COc1ccc(cc1NC(=O)[*:1])-c1nc2ccccc2[nH]1
C[C@H](NC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCCO1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCC(CC1)OC[*:1])[C@H]1CCCO1
C[C@H](NC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCCO1 c1ccc(cc1)CO[*:1] C[C@H](NC(=O)N1CCC(CC1)[*:1])[C@H]1CCCO1
C[C@H](NC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCCO1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N1CCC(CC1)O[*:1])[C@H]1CCCO1
CC(C)C[NH+]1CCN(Cn2nnn(-c3ccc(Cl)cc3)c2=S)CC1 CC(C)[*:1] S=c1n(CN2CC[NH+](CC2)C[*:1])nnn1-c1ccc(Cl)cc1
CC(C)C[NH+]1CCN(Cn2nnn(-c3ccc(Cl)cc3)c2=S)CC1 Clc1ccc(cc1)[*:1] CC(C)C[NH+]1CCN(CC1)Cn1nnn(c1=S)[*:1]
CC(C)C[NH+]1CCN(Cn2nnn(-c3ccc(Cl)cc3)c2=S)CC1 CC(C)C[*:1] S=c1n(CN2CC[NH+](CC2)[*:1])nnn1-c1ccc(Cl)cc1
COc1cccc2c1OC[C@H](NC(=O)N[C@@H](C)[C@H]1CCCO1)C2 C1CO[C@H](C1)[*:1] COc1cccc2C[C@H](COc21)NC(=O)N[C@@H](C)[*:1]
COC(=O)[C@@H](NC(=O)c1csc(C)n1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@@H](NC(=O)c1csc(C)n1)[*:1]
COC(=O)[C@@H](NC(=O)c1csc(C)n1)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@H](NC(=O)c1csc(C)n1)[*:1]
COC(=O)[C@@H](NC(=O)c1csc(C)n1)c1ccc(C)cc1 Cc1nc(cs1)[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(C)cc1
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)C(C)C CC(C)[*:1] C/C(CC(=O)Nc1ccc2OCCOc2c1)=N\NC(=O)[*:1]
CCN(C(=O)NCCOC)[C@@H](C)c1cccc(OC)c1 COCC[*:1] CCN(C(=O)N[*:1])[C@@H](C)c1cccc(c1)OC
CCN(C(=O)NCCOC)[C@@H](C)c1cccc(OC)c1 COC[*:1] CCN(C(=O)NC[*:1])[C@@H](C)c1cccc(c1)OC
O=C(CN1CC[NH+](C[C@@H](O)C2CC2)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC1)C[C@@H](O)C1CC1)NC[*:1]
O=C(CN1CC[NH+](C[C@@H](O)C2CC2)CC1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CC[NH+](CC1)C[C@@H](O)C1CC1)N[*:1]
O=C(CN1CC[NH+](C[C@@H](O)C2CC2)CC1)NCc1ccccc1 C1CC1[*:1] O=C(CN1CC[NH+](CC1)C[C@@H](O)[*:1])NCc1ccccc1
Cc1ccc(OCCCCNC(=O)Nc2ccc3c(c2)COC3)cc1 Cc1ccc(cc1)[*:1] O=C(NCCCCO[*:1])Nc1ccc2COCc2c1
Cc1ccc(OCCCCNC(=O)Nc2ccc3c(c2)COC3)cc1 Cc1ccc(cc1)O[*:1] O=C(NCCCC[*:1])Nc1ccc2COCc2c1
O=C(C=C1CCSCC1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 c1coc(c1)[*:1] O=C(C=C1CCSCC1)N1CCOC[C@H]1C[C@@H](O)[*:1]
O=C(C=C1CCSCC1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 O[C@@H](c1ccco1)[*:1] O=C(C=C1CCSCC1)N1CCOC[C@H]1C[*:1]
COc1ccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c(OC)c1 O=C1CCCN1[*:1] COc1ccc(NC(=O)CNC(=O)c2ccc(cc2)[*:1])c(c1)OC
O=C(N/N=C/c1cccs1)c1ccc2ccccc2c1 c1csc(c1)[*:1] O=C(NN=C[*:1])c1ccc2ccccc2c1
O=C(N[C@H](c1nccs1)C1CC1)N1CC[C@@H]2CCCC[C@@H]21 c1csc(n1)[*:1] O=C(N[C@H](C1CC1)[*:1])N1CC[C@@H]2CCCC[C@@H]21
O=C(N[C@H](c1nccs1)C1CC1)N1CC[C@@H]2CCCC[C@@H]21 C1CC1[*:1] O=C(N[C@H](c1nccs1)[*:1])N1CC[C@@H]2CCCC[C@@H]21
Cc1cccc([C@@H](C)CNC(=O)Cc2cccnc2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)[C@@H](C)CNC(=O)C[*:1]
CC[C@@H](C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)[*:1]
CC[C@@H](C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)c1ccccc1 NS(=O)(=O)N[*:1] CC[C@@H](C(=O)N1CCC[C@@H](C1)C[*:1])c1ccccc1
CC[C@@H](C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)c1ccccc1 NS(=O)(=O)NC[*:1] CC[C@@H](C(=O)N1CCC[C@H](C1)[*:1])c1ccccc1
O=C(NC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(Cl)c2cccnc12)[*:1]
O=C(NC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1)C1CCCCC1 O=C(N[*:1])C1CCCCC1 Clc1ccc(C[NH+]2CCC(CC2)[*:1])c2ncccc12
O=C(CC[S@@](=O)c1n[nH]c(C2CC2)n1)NC(=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CC[S@@](=O)c1n[nH]c(n1)C1CC1)NC(=O)N[*:1]
O=C(CC[S@@](=O)c1n[nH]c(C2CC2)n1)NC(=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(CC[S@@](=O)c1n[nH]c(n1)C1CC1)NC(=O)NC[*:1]
O=C(CC[S@@](=O)c1n[nH]c(C2CC2)n1)NC(=O)NCC(F)(F)F C1CC1[*:1] O=C(CC[S@@](=O)c1n[nH]c(n1)[*:1])NC(=O)NCC(F)(F)F
C[C@@](O)(CNCc1cnn(-c2ccc(F)cc2)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@@](O)(CNCc1cnn(c1)-c1ccc(F)cc1)[*:1]
C[C@@](O)(CNCc1cnn(-c2ccc(F)cc2)c1)c1ccsc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNCc1cnn(c1)[*:1])c1ccsc1
Cn1ccnc(NC(=O)CCCNC(=O)c2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] Cn1ccnc(NC(=O)CCCNC(=O)[*:1])c1=O
Cn1ccnc(NC(=O)CCCNC(=O)c2ccc(F)cc2)c1=O Cn1ccnc(c1=O)[*:1] O=C(CCCNC(=O)c1ccc(F)cc1)N[*:1]
CCN(C)C(=O)N1CCO[C@H](C(N)=S)C1 NC(=S)[*:1] CCN(C)C(=O)N1CCO[C@H](C1)[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C)c2nc(-c3ccccc3C)no2)cc1C Cc1ccccc1[*:1] Cc1ccc(cc1C)S(=O)(=O)[C@@H](C)c1nc(no1)[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C)c2nc(-c3ccccc3C)no2)cc1C Cc1ccc(cc1C)[*:1] Cc1ccccc1-c1noc(n1)[C@H](C)S(=O)(=O)[*:1]
COc1cccc(NC(=O)Nc2nnc(COc3ccccc3)s2)c1 c1ccc(cc1)OC[*:1] COc1cccc(c1)NC(=O)Nc1nnc(s1)[*:1]
COc1cccc(NC(=O)Nc2nnc(COc3ccccc3)s2)c1 COc1cccc(c1)[*:1] O=C(Nc1nnc(COc2ccccc2)s1)N[*:1]
COc1cccc(NC(=O)Nc2nnc(COc3ccccc3)s2)c1 c1ccc(cc1)O[*:1] COc1cccc(c1)NC(=O)Nc1nnc(C[*:1])s1
COc1cccc(NC(=O)Nc2nnc(COc3ccccc3)s2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)Nc1nnc(CO[*:1])s1
CCC[C@H](CS)CN1C(=O)Cc2ccc(Cl)cc21 CCC[*:1] O=C1Cc2ccc(Cl)cc2N1C[C@@H](CS)[*:1]
CN(Cc1ccccc1Br)C(=O)[C@@](C)(N)C(F)(F)F FC(F)(F)[*:1] CN(Cc1ccccc1Br)C(=O)[C@@](C)(N)[*:1]
COC(=O)[C@H](NC(=O)CCC(C)C)c1ccc(F)c(F)c1 CC(C)CC[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC(=O)[C@H](NC(=O)CCC(C)C)c1ccc(F)c(F)c1 CC(C)[*:1] COC(=O)[C@H](NC(=O)CC[*:1])c1ccc(F)c(F)c1
COC(=O)[C@H](NC(=O)CCC(C)C)c1ccc(F)c(F)c1 CC(C)C[*:1] COC(=O)[C@H](NC(=O)C[*:1])c1ccc(F)c(F)c1
COC(=O)[C@H](NC(=O)CCC(C)C)c1ccc(F)c(F)c1 COC(=O)[*:1] CC(C)CCC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
CS(=O)(=O)N1CCCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1 Fc1cccc(c1)N[*:1] CS(=O)(=O)N1CCCN(CC1)C(=O)c1cccnc1[*:1]
CS(=O)(=O)N1CCCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CS(=O)(=O)N1CCCN(CC1)C(=O)c1cccnc1N[*:1]
COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(N)=O)CC1 Cc1ccc(cc1)[*:1] COC(=O)c1scc(c1S(=O)(=O)N1CCC(CC1)C(N)=O)[*:1]
COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCC(CC1)[*:1]
COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(N)=O)CC1 COC(=O)[*:1] Cc1ccc(cc1)-c1csc(c1S(=O)(=O)N1CCC(CC1)C(N)=O)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1 O=C1c2ccccc2C(=O)N1[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCC[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)cc1 CC(C)(C)[*:1] O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc2c(c1)CCCC2 Fc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc2CCCCc2c1
Cc1nn(C)c([C@H](C#N)c2cccs2)c1S(=O)(=O)N(C)C c1csc(c1)[*:1] Cc1nn(C)c(c1S(=O)(=O)N(C)C)[C@H](C#N)[*:1]
Cc1nn(C)c([C@H](C#N)c2cccs2)c1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1nn(C)c(c1[*:1])[C@H](C#N)c1cccs1
Cc1nnc2ccc(N3CCC[C@@H]3c3ccc(F)cc3)nn12 Fc1ccc(cc1)[*:1] Cc1nnc2ccc(nn12)N1CCC[C@H]1[*:1]
Cc1n[nH]c(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)n1 Cc1n[nH]c(n1)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1cccc(F)c1
Cc1n[nH]c(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)n1 Fc1cccc(c1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)[C@H](C)C2)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN([C@H](C)C1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)[C@H](C)C2)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(C[C@H]1C)S(=O)(=O)[*:1]
CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nccc(C)n3)C2)cc1 Cc1ccnc(n1)[*:1] CCOc1ccc(cc1)CNC(=O)[C@@H]1CCCN(C1)[*:1]
CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nccc(C)n3)C2)cc1 CCO[*:1] Cc1ccnc(n1)N1CCC[C@H](C1)C(=O)NCc1ccc(cc1)[*:1]
NC(=O)COc1ccc(CN2CCO[C@H](C(F)(F)F)C2)cc1Cl NC(=O)C[*:1] FC(F)(F)[C@@H]1CN(CCO1)Cc1ccc(O[*:1])c(Cl)c1
NC(=O)COc1ccc(CN2CCO[C@H](C(F)(F)F)C2)cc1Cl NC(=O)CO[*:1] FC(F)(F)[C@@H]1CN(CCO1)Cc1ccc(c(Cl)c1)[*:1]
NC(=O)COc1ccc(CN2CCO[C@H](C(F)(F)F)C2)cc1Cl FC(F)(F)[*:1] NC(=O)COc1ccc(cc1Cl)CN1CCO[C@H](C1)[*:1]
NC(=O)COc1ccc(CN2CCO[C@H](C(F)(F)F)C2)cc1Cl NC(=O)[*:1] FC(F)(F)[C@@H]1CN(CCO1)Cc1ccc(OC[*:1])c(Cl)c1
Cc1c(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)cnn1C(C)C CS(=O)(=O)C[*:1] Cc1c(cnn1C(C)C)C(=O)NCc1ccc(cc1)[*:1]
Cc1c(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)cnn1C(C)C CS(=O)(=O)[*:1] Cc1c(cnn1C(C)C)C(=O)NCc1ccc(cc1)C[*:1]
Cc1c(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NCc1ccc(cc1)CS(C)(=O)=O
Cc1cccc2nc(CNc3ccccc3C(F)(F)F)cn12 FC(F)(F)[*:1] Cc1cccc2nc(cn12)CNc1ccccc1[*:1]
COCc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1 COc1ccc(cc1)[*:1] COCc1cccc(c1)C(=O)[C@@H](C#N)c1nc(cs1)[*:1]
COCc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1 COC[*:1] COc1ccc(cc1)-c1csc(n1)[C@H](C#N)C(=O)c1cccc(c1)[*:1]
COCc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(OC)cc3)cs2)c1 COCc1cccc(c1)[*:1] COc1ccc(cc1)-c1csc(n1)[C@H](C#N)C(=O)[*:1]
CCn1c(C)cc(C[C@H]([NH3+])CCC(=O)OC)c1C COC(=O)C[*:1] CCn1c(C)cc(C[C@H]([NH3+])C[*:1])c1C
CCn1c(C)cc(C[C@H]([NH3+])CCC(=O)OC)c1C COC(=O)CC[*:1] CCn1c(C)cc(C[C@H]([NH3+])[*:1])c1C
CCn1c(C)cc(C[C@H]([NH3+])CCC(=O)OC)c1C COC(=O)[*:1] CCn1c(C)cc(C[C@H]([NH3+])CC[*:1])c1C
O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(NC1CC1)[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 O=C(NC1CC1)[*:1] O=S(=O)(Cc1ccc(Cl)cc1)N1CCC[C@@H](C1)[*:1]
O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 C1CC1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)Cc1ccc(Cl)cc1
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NCCc1cccnc1 c1cncc(c1)C[*:1] CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NC[*:1]
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NCCc1cccnc1 c1cncc(c1)[*:1] CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NCC[*:1]
O=S(=O)(NC[C@@]1(O)CCc2ccccc2C1)C1CCCCC1 C1CCC(CC1)[*:1] O=S(=O)(NC[C@@]1(O)CCc2ccccc2C1)[*:1]
CCCNC(=O)c1cccc(NC(=O)N[C@H]2CCCn3c(C)nnc32)c1 CCCNC(=O)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)Nc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(NC(=O)N[C@H]2CCCn3c(C)nnc32)c1 CCC[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)Nc1cccc(c1)C(=O)N[*:1]
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 CC(=O)[*:1] CC[C@H](C)NS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 CC[C@H](C)NS(=O)(=O)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
COc1cccc(-n2ccnc2S[C@H](C)C(N)=O)c1 NC(=O)[*:1] COc1cccc(c1)-n1ccnc1S[C@H](C)[*:1]
COc1cccc(-n2ccnc2S[C@H](C)C(N)=O)c1 C[C@H](C(N)=O)[*:1] COc1cccc(c1)-n1ccnc1S[*:1]
COc1cccc(-n2ccnc2S[C@H](C)C(N)=O)c1 C[C@@H](S[*:1])C(N)=O COc1cccc(c1)-n1ccnc1[*:1]
CCN(Cc1cccc(NC(=O)N2CCCCC[C@H]2CC(C)C)c1)C(C)=O CC(C)[*:1] CCN(Cc1cccc(c1)NC(=O)N1CCCCC[C@H]1C[*:1])C(C)=O
CCN(Cc1cccc(NC(=O)N2CCCCC[C@H]2CC(C)C)c1)C(C)=O CCN(C(C)=O)[*:1] CC(C)C[C@@H]1CCCCCN1C(=O)Nc1cccc(c1)C[*:1]
CCN(Cc1cccc(NC(=O)N2CCCCC[C@H]2CC(C)C)c1)C(C)=O CC(C)C[*:1] CCN(Cc1cccc(c1)NC(=O)N1CCCCC[C@@H]1[*:1])C(C)=O
CCN(Cc1cccc(NC(=O)N2CCCCC[C@H]2CC(C)C)c1)C(C)=O CCN(C[*:1])C(C)=O CC(C)C[C@@H]1CCCCCN1C(=O)Nc1cccc(c1)[*:1]
CCCc1noc(CS(=O)(=O)c2nccn2-c2cc(C)ccc2C)n1 CCC[*:1] Cc1ccc(C)c(c1)-n1ccnc1S(=O)(=O)Cc1nc(no1)[*:1]
CCCc1noc(CS(=O)(=O)c2nccn2-c2cc(C)ccc2C)n1 Cc1ccc(C)c(c1)[*:1] CCCc1noc(CS(=O)(=O)c2nccn2[*:1])n1
CCCc1noc(CS(=O)(=O)c2nccn2-c2cc(C)ccc2C)n1 CCCc1noc(n1)[*:1] Cc1ccc(C)c(c1)-n1ccnc1S(=O)(=O)C[*:1]
O=C(CSc1nncs1)NC1CC[NH+](CC2CCCCC2)CC1 c1nnc(SC[*:1])s1 O=C(NC1CC[NH+](CC1)CC1CCCCC1)[*:1]
O=C(CSc1nncs1)NC1CC[NH+](CC2CCCCC2)CC1 c1nnc(S[*:1])s1 O=C(C[*:1])NC1CC[NH+](CC1)CC1CCCCC1
O=C(CSc1nncs1)NC1CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] O=C(CSc1nncs1)NC1CC[NH+](CC1)[*:1]
O=C(CSc1nncs1)NC1CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(CSc1nncs1)NC1CC[NH+](CC1)C[*:1]
O=C(CSc1nncs1)NC1CC[NH+](CC2CCCCC2)CC1 c1nnc(s1)[*:1] O=C(CS[*:1])NC1CC[NH+](CC1)CC1CCCCC1
Cc1cc(-c2cc(C(=O)[O-])c[nH]c2=O)ccc1Cl O=C([O-])[*:1] Cc1cc(ccc1Cl)-c1cc(c[nH]c1=O)[*:1]
C[C@@H]1[C@](O)(c2ccccc2)NC(=O)[C@]12C(=O)N=C(N)[C@H]2C#N c1ccc(cc1)[*:1] C[C@@H]1[C@](O)(NC(=O)[C@]12C(=O)N=C(N)[C@H]2C#N)[*:1]
C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(F)ccc1O Clc1ccccc1[*:1] C[C@H]1CO[C@@H](CN1C(=O)c1cc(F)ccc1O)[*:1]
C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(F)ccc1O Oc1ccc(F)cc1[*:1] C[C@H]1CO[C@H](CN1C(=O)[*:1])c1ccccc1Cl
CN(C)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N Clc1ccc(c(Cl)c1)[*:1] CN(C)c1ncnc(NNC(=O)CO[*:1])c1N
CN(C)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N CN(C)[*:1] Nc1c(ncnc1[*:1])NNC(=O)COc1ccc(Cl)cc1Cl
COC(=O)C1(N2C(=O)c3ccccc3C2=O)CC1 COC(=O)[*:1] O=C1c2ccccc2C(=O)N1C1(CC1)[*:1]
CCC[C@H](C)n1c(CCCl)nc2c(C)nn(C)c21 CCC[C@H](C)[*:1] Cc1nn(C)c2c1nc(CCCl)n2[*:1]
CCC[C@H](C)n1c(CCCl)nc2c(C)nn(C)c21 CCC[*:1] Cc1nn(C)c2c1nc(CCCl)n2[C@@H](C)[*:1]
CCC[C@H](C)n1c(CCCl)nc2c(C)nn(C)c21 ClCC[*:1] CCC[C@H](C)n1c(nc2c(C)nn(C)c21)[*:1]
Cc1cnc(CNC(=O)N[C@H](C)c2ccc(C)c(F)c2)s1 Cc1cnc(s1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)NC[*:1]
Cc1cnc(CNC(=O)N[C@H](C)c2ccc(C)c(F)c2)s1 Cc1cnc(C[*:1])s1 Cc1ccc(cc1F)[C@@H](C)NC(=O)N[*:1]
O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccccc1F Fc1ccccc1[*:1] O=C(COC(=O)c1c(Cl)cccc1Cl)N[*:1]
CCOC(=O)[C@H](C)N1CCC(NC(=O)C(C)C)CC1 CCOC(=O)[*:1] CC(C)C(=O)NC1CCN(CC1)[C@@H](C)[*:1]
CCOC(=O)[C@H](C)N1CCC(NC(=O)C(C)C)CC1 CC(C)C(=O)N[*:1] CCOC(=O)[C@H](C)N1CCC(CC1)[*:1]
CCOC(=O)[C@H](C)N1CCC(NC(=O)C(C)C)CC1 CC(C)[*:1] CCOC(=O)[C@H](C)N1CCC(CC1)NC(=O)[*:1]
Cc1nn(CCOc2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCCCC1 Fc1ccc(cc1)[*:1] Cc1nn(CCO[*:1])c(C)c1S(=O)(=O)N1CCCCC1
Cc1nn(CCOc2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCCCC1 Fc1ccc(cc1)O[*:1] Cc1nn(CC[*:1])c(C)c1S(=O)(=O)N1CCCCC1
N#Cc1ccc(Cn2cnc(NC(=O)N3CC[C@@H]4CCCC[C@@H]43)n2)cc1 N#Cc1ccc(cc1)[*:1] O=C(Nc1ncn(C[*:1])n1)N1CC[C@@H]2CCCC[C@@H]21
C=CCn1c(-c2cc3ccccc3o2)nn(CO)c1=S C=CC[*:1] OCn1nc(-c2cc3ccccc3o2)n(c1=S)[*:1]
CC(C)N1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 CC(C)[*:1] O=C(Nc1nc2CCN(Cc2s1)[*:1])c1cc2cc(ccc2s1)[N+](=O)[O-]
CC(C)N1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1 O=[N+]([O-])[*:1] CC(C)N1CCc2nc(NC(=O)c3cc4cc(ccc4s3)[*:1])sc2C1
COc1ccc(-c2nnc(SC3CCCCC3)o2)cc1OC C1CCC(CC1)S[*:1] COc1ccc(cc1OC)-c1nnc(o1)[*:1]
COc1ccc(-c2nnc(SC3CCCCC3)o2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)-c1nnc(o1)S[*:1]
C[C@@H]1CCCCN1C(=O)NCc1cccc(NC(=O)N(C)C)c1 CN(C)C(=O)N[*:1] C[C@@H]1CCCCN1C(=O)NCc1cccc(c1)[*:1]
O=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)N[*:1]
O=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NC1CCCCC1 c1snnc1[*:1] O=C(CN(C(=O)[*:1])c1ccc(F)c(Cl)c1)NC1CCCCC1
O=C(CN(C(=O)c1csnn1)c1ccc(F)c(Cl)c1)NC1CCCCC1 Fc1ccc(cc1Cl)[*:1] O=C(CN(C(=O)c1csnn1)[*:1])NC1CCCCC1
CN(C)C(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 CN(C)C(=O)[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)NCc1ccc(cc1)[*:1]
CCOc1ccc2nc(SCC(=O)NC3CCCCC3)sc2c1 CCO[*:1] O=C(CSc1nc2ccc(cc2s1)[*:1])NC1CCCCC1
CCOc1ccc2nc(SCC(=O)NC3CCCCC3)sc2c1 C1CCC(CC1)[*:1] CCOc1ccc2nc(SCC(=O)N[*:1])sc2c1
COCC[C@H](C)NC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 COC[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1cccc(c1)N1CCCCCC1
COCC[C@H](C)NC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 COCC[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)N1CCCCCC1)[*:1]
COCC[C@H](C)NC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 C1CCCN(CC1)[*:1] COCC[C@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 C1CCN(CC1)[*:1] O=C(Nc1nc2ccccc2s1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 c1ccc2sc(nc2c1)[*:1] O=C(N[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1
O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1nc2ccccc2s1)c1ccc(c(c1)[*:1])N1CCCCC1
CCOc1cc(CNC(=O)N2CCC[C@@H](C)C2)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(ccc1[*:1])CNC(=O)N1CCC[C@@H](C)C1
CCOc1cc(CNC(=O)N2CCC[C@@H](C)C2)ccc1OC(F)F FC(F)[*:1] CCOc1cc(ccc1O[*:1])CNC(=O)N1CCC[C@@H](C)C1
CCOc1cc(CNC(=O)N2CCC[C@@H](C)C2)ccc1OC(F)F CCO[*:1] C[C@@H]1CCCN(C1)C(=O)NCc1ccc(OC(F)F)c(c1)[*:1]
CCc1ccc(O)c(C(=O)N[C@@H](c2ccc(F)c(F)c2)c2ncon2)c1 c1nc(no1)[*:1] CCc1ccc(O)c(c1)C(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
CCc1ccc(O)c(C(=O)N[C@@H](c2ccc(F)c(F)c2)c2ncon2)c1 Fc1ccc(cc1F)[*:1] CCc1ccc(O)c(c1)C(=O)N[C@@H](c1ncon1)[*:1]
CC(=O)N[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[*:1]
CC(=O)N[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[*:1]
CC(=O)N[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C Clc1ccccc1[*:1] CC(=O)N[C@@H](C(=O)NC[C@@H]([NH+]1CCCC1)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C CC(=O)N[C@@H](C(C)C)[*:1] O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)cc1 C1CC1[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)OC[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)cc1 Cc1ccc(cc1)C[*:1] O=C(OC[C@@H]1CC(=O)N(C1)C1CC1)[C@H]1CCC(=O)N1[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(OC[C@@H]1CC(=O)N(C1)C1CC1)[C@H]1CCC(=O)N1C[*:1]
C[NH2+]C[C@H](Cc1ncnn1CC(C)C)c1ccccc1Cl CC(C)[*:1] C[NH2+]C[C@H](Cc1ncnn1C[*:1])c1ccccc1Cl
C[NH2+]C[C@H](Cc1ncnn1CC(C)C)c1ccccc1Cl CC(C)C[*:1] C[NH2+]C[C@H](Cc1ncnn1[*:1])c1ccccc1Cl
C[NH2+]C[C@H](Cc1ncnn1CC(C)C)c1ccccc1Cl Clc1ccccc1[*:1] C[NH2+]C[C@H](Cc1ncnn1CC(C)C)[*:1]
CC(C)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 CC(C)[*:1] O=C(COc1cccc(Cl)c1)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC(C)c1ccc(cc1)NC(=O)CO[*:1]
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(N2CCCC2)cc1 C1CCN(C1)[*:1] COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(F)c2)o1 Cc1ccc(cc1F)[*:1] CCOC(=O)c1ccc(o1)S(=O)(=O)N[C@@H](C)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(F)c2)o1 CCOC(=O)[*:1] Cc1ccc(cc1F)[C@H](C)NS(=O)(=O)c1ccc(o1)[*:1]
COc1ccc(CNc2ncnc(Nc3cccc4ccccc34)c2N)cc1 COc1ccc(cc1)[*:1] Nc1c(ncnc1Nc1cccc2ccccc12)NC[*:1]
COc1ccc(CNc2ncnc(Nc3cccc4ccccc34)c2N)cc1 COc1ccc(cc1)C[*:1] Nc1c(ncnc1N[*:1])Nc1cccc2ccccc12
Fc1ccc(Br)cc1OC(F)(F)Cl FC(F)(Cl)[*:1] Fc1ccc(Br)cc1O[*:1]
CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 CCc1ccc(cc1)[*:1] COc1ccc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])c(c1)OC
COc1c(C)cnc(CNC(=O)Cn2nnnc2C(C)C)c1C CC(C)[*:1] COc1c(C)cnc(CNC(=O)Cn2nnnc2[*:1])c1C
CC(C)Oc1ncnc(N(C)[C@H]2CCS(=O)(=O)C2)c1N CC(C)[*:1] CN(c1ncnc(O[*:1])c1N)[C@H]1CCS(=O)(=O)C1
CC(C)Oc1ncnc(N(C)[C@H]2CCS(=O)(=O)C2)c1N CC(C)O[*:1] CN(c1ncnc(c1N)[*:1])[C@H]1CCS(=O)(=O)C1
CCn1c(-c2nc(C(=O)NCc3cccc(OC)c3)cs2)cc2ccccc21 COc1cccc(c1)C[*:1] CCn1c(cc2ccccc21)-c1nc(cs1)C(=O)N[*:1]
CCn1c(-c2nc(C(=O)NCc3cccc(OC)c3)cs2)cc2ccccc21 COc1cccc(c1)[*:1] CCn1c(cc2ccccc21)-c1nc(cs1)C(=O)NC[*:1]
CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCN(C(=O)OCC)C2 Clc1cc(c(Cl)s1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)C(=O)OCC
CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCN(C(=O)OCC)C2 CCOC(=O)[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)c1cc(Cl)sc1Cl)c2[*:1]
CC(C)CCCCNC(=O)N[C@H]1CCC[C@H]1CO CC(C)CC[*:1] O=C(NCC[*:1])N[C@H]1CCC[C@H]1CO
CC(C)CCCCNC(=O)N[C@H]1CCC[C@H]1CO CC(C)[*:1] O=C(NCCCC[*:1])N[C@H]1CCC[C@H]1CO
CC(C)CCCCNC(=O)N[C@H]1CCC[C@H]1CO CC(C)C[*:1] O=C(NCCC[*:1])N[C@H]1CCC[C@H]1CO
CC(C)CCCCNC(=O)N[C@H]1CCC[C@H]1CO CC(C)CCC[*:1] O=C(NC[*:1])N[C@H]1CCC[C@H]1CO
O=C(NCc1ccc(Cl)cc1)Nc1cc(N2CCOCC2)ncn1 C1CN(CCO1)[*:1] O=C(NCc1ccc(Cl)cc1)Nc1cc(ncn1)[*:1]
O=C(NCc1ccc(Cl)cc1)Nc1cc(N2CCOCC2)ncn1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])Nc1cc(ncn1)N1CCOCC1
O=C(NCc1ccc(Cl)cc1)Nc1cc(N2CCOCC2)ncn1 Clc1ccc(cc1)C[*:1] O=C(Nc1cc(ncn1)N1CCOCC1)N[*:1]
Cc1ccc(S(=O)(=O)N2C(=O)C(=O)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C1C(=O)N(c2ccccc21)S(=O)(=O)[*:1]
C[C@@H](CCO)S[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] OCC[*:1] C[C@@H](S[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+])[*:1]
C[C@@H](CCO)S[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] C[C@@H](CCO)[*:1] C[C@@H]([NH3+])[C@@H](S[*:1])c1cccc(F)c1
O=C([O-])CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 O=C([O-])[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCCC[C@H]1[NH2+]CC[*:1]
O=C([O-])CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 O=C([O-])CC[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCCC[C@H]1[NH2+][*:1]
O=C([O-])CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 O=C([O-])C[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCCC[C@H]1[NH2+]C[*:1]
C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2)C1=O c1cnc(nc1)[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)(C)OC(=O)N1CCN(CCO)CC1 OCC[*:1] CC(C)(C)OC(=O)N1CCN(CC1)[*:1]
CC(C)(C)OC(=O)N1CCN(CCO)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCN(CCO)CC1
O=C(CN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1)Nc1ccc(F)cc1 c1cc(cs1)-c1nc(cs1)[*:1] O=C(CN1CCN(CC1)C(=O)C[*:1])Nc1ccc(F)cc1
O=C(CN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)Cc1csc(n1)-c1ccsc1)N[*:1]
O=C(CN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1)Nc1ccc(F)cc1 c1cc(cs1)[*:1] O=C(CN1CCN(CC1)C(=O)Cc1csc(n1)[*:1])Nc1ccc(F)cc1
O=C(CN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=C(Cc1csc(n1)-c1ccsc1)N1CCN(CC1)C[*:1]
CCSc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 Cc1ccc(C)c(c1)[*:1] CCSc1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
CCSc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 CCS[*:1] Cc1ccc(C)c(c1)-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(=O)nc2sccn12 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)c1cc(=O)nc2sccn12
C[C@H]1CN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C[C@H](C)O1 Clc1cccc(c1)C[*:1] C[C@H]1CN(CC(=O)N2CCN(CC2)[*:1])C[C@H](C)O1
C[C@H]1CN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C[C@H](C)O1 Clc1cccc(c1)[*:1] C[C@H]1CN(CC(=O)N2CCN(CC2)C[*:1])C[C@H](C)O1
COc1ccc(-c2cc(CC3(C(=O)[O-])CCN(C(=O)C4CCCC4)CC3)on2)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1cc(CC2(CCN(CC2)C(=O)C2CCCC2)[*:1])on1
COc1ccc(-c2cc(CC3(C(=O)[O-])CCN(C(=O)C4CCCC4)CC3)on2)cc1 COc1ccc(cc1)[*:1] O=C(C1CCCC1)N1CCC(CC1)(Cc1cc(no1)[*:1])C(=O)[O-]
COc1ccc(-c2cc(CC3(C(=O)[O-])CCN(C(=O)C4CCCC4)CC3)on2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)-c1cc(CC2(CCN(CC2)C(=O)[*:1])C(=O)[O-])on1
CC(C)n1ncc2cc(/C=C/C(=O)N[C@H]3CCCC[C@@H]3C)c(=O)[nH]c21 CC(C)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cc2cnn(c2[nH]c1=O)[*:1]
CC(C)n1ncc2cc(/C=C/C(=O)N[C@H]3CCCC[C@@H]3C)c(=O)[nH]c21 C[C@H]1CCCC[C@@H]1[*:1] CC(C)n1ncc2cc(/C=C/C(=O)N[*:1])c(=O)[nH]c21
FC(F)(F)c1ccc(-c2nc(-c3ccccc3)cc(N3CCC[NH2+]CC3)n2)cc1 c1ccc(cc1)[*:1] FC(F)(F)c1ccc(cc1)-c1nc(cc(n1)[*:1])N1CCC[NH2+]CC1
FC(F)(F)c1ccc(-c2nc(-c3ccccc3)cc(N3CCC[NH2+]CC3)n2)cc1 FC(F)(F)[*:1] c1ccc(cc1)-c1cc(nc(n1)-c1ccc(cc1)[*:1])N1CCC[NH2+]CC1
Cc1noc(C)c1C/C([O-])=N/c1nc(C(C)C)n[nH]1 CC(C)[*:1] Cc1noc(C)c1C/C([O-])=N/c1nc(n[nH]1)[*:1]
CNC(=O)CNC(=O)Nc1cc(F)cc(F)c1 CNC(=O)C[*:1] O=C(Nc1cc(F)cc(F)c1)N[*:1]
CNC(=O)CNC(=O)Nc1cc(F)cc(F)c1 CNC(=O)[*:1] O=C(NC[*:1])Nc1cc(F)cc(F)c1
CCCC(=O)N[C@H]1CCCN(c2[nH+]ccn(CC(C)C)c2=O)C1 CCC[*:1] CC(C)Cn1cc[nH+]c(c1=O)N1CCC[C@@H](C1)NC(=O)[*:1]
CCCC(=O)N[C@H]1CCCN(c2[nH+]ccn(CC(C)C)c2=O)C1 CC(C)C[*:1] CCCC(=O)N[C@H]1CCCN(C1)c1[nH+]ccn(c1=O)[*:1]
CCCC(=O)N[C@H]1CCCN(c2[nH+]ccn(CC(C)C)c2=O)C1 CC(C)[*:1] CCCC(=O)N[C@H]1CCCN(C1)c1[nH+]ccn(C[*:1])c1=O
CCCC(=O)N[C@H]1CCCN(c2[nH+]ccn(CC(C)C)c2=O)C1 CCCC(=O)N[*:1] CC(C)Cn1cc[nH+]c(c1=O)N1CCC[C@@H](C1)[*:1]
CNC(=O)c1cccc(CCN[C@@H](C)c2nccs2)c1 c1csc(n1)[*:1] CNC(=O)c1cccc(c1)CCN[C@@H](C)[*:1]
CNC(=O)c1cccc(CCN[C@@H](C)c2nccs2)c1 CNC(=O)[*:1] C[C@H](NCCc1cccc(c1)[*:1])c1nccs1
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1C1CCCCC1 Fc1ccccc1C[*:1] O=C1C[C@H](CN1C1CCCCC1)c1nc2ccccc2n1[*:1]
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1C1CCCCC1 Fc1ccccc1[*:1] O=C1C[C@H](CN1C1CCCCC1)c1nc2ccccc2n1C[*:1]
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1C1CCCCC1 C1CCC(CC1)[*:1] O=C1C[C@H](CN1[*:1])c1nc2ccccc2n1Cc1ccccc1F
CC(C)COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 CC(C)C[*:1] O=C(NC[C@H]1COc2ccccc2O1)c1ccc(cc1)O[*:1]
CC(C)COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 CC(C)[*:1] O=C(NC[C@H]1COc2ccccc2O1)c1ccc(cc1)OC[*:1]
CC(C)COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 CC(C)CO[*:1] O=C(NC[C@H]1COc2ccccc2O1)c1ccc(cc1)[*:1]
O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc(nc2ccccc12)-c1cccs1)N1CCN(CC1)S(=O)(=O)C[*:1]
O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1csc(c1)[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cc(nc2ccccc12)-c1cccs1)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1cccnc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1C[C@H]1[*:1])c1cccnc1
C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)[*:1]
Cc1nnnn1-c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1nnnn1-c1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
Cc1nnnn1-c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1 Cc1nnnn1[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)c1ccccc1
CSC(C)(C)CNC(=O)C1(c2ccccc2)CCOCC1 CSC(C)(C)C[*:1] O=C(N[*:1])C1(CCOCC1)c1ccccc1
CSC(C)(C)CNC(=O)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] CSC(C)(C)CNC(=O)C1(CCOCC1)[*:1]
CSC(C)(C)CNC(=O)C1(c2ccccc2)CCOCC1 CSC(C)(C)[*:1] O=C(NC[*:1])C1(CCOCC1)c1ccccc1
C[C@@H](NC(=O)Cc1noc2ccccc12)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@@H](NC(=O)Cc1noc2ccccc12)c1cccc(c1)[*:1]
O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](c1ccccc1)[*:1]
O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](c1cccs1)[*:1]
Cc1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccnn3Cc3ccccc3Cl)C2=O)c(C)o1 Clc1ccccc1[*:1] Cc1cc(c(C)o1)[C@@]1(C)NC(=O)N(CC(=O)Nc2ccnn2C[*:1])C1=O
Cc1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccnn3Cc3ccccc3Cl)C2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1=O)[*:1]
Cc1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccnn3Cc3ccccc3Cl)C2=O)c(C)o1 Clc1ccccc1C[*:1] Cc1cc(c(C)o1)[C@@]1(C)NC(=O)N(CC(=O)Nc2ccnn2[*:1])C1=O
Cc1nn(C)cc1CN1CCOC[C@H]1CC(C)C CC(C)[*:1] Cc1nn(C)cc1CN1CCOC[C@H]1C[*:1]
Cc1nn(C)cc1CN1CCOC[C@H]1CC(C)C CC(C)C[*:1] Cc1nn(C)cc1CN1CCOC[C@@H]1[*:1]
COCCn1nnc(-c2cccc(OC)c2)n1 COCC[*:1] COc1cccc(c1)-c1nnn(n1)[*:1]
COCCn1nnc(-c2cccc(OC)c2)n1 COC[*:1] COc1cccc(c1)-c1nnn(C[*:1])n1
COC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(OC)c(OC)c1)CC(=O)N2c1ccccc1 COC(=O)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)N(c2ccccc2)c2c1sc(=O)n2C[*:1]
COC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(OC)c(OC)c1)CC(=O)N2c1ccccc1 COc1ccc(cc1OC)[*:1] COC(=O)Cn1c2c(sc1=O)[C@H](CC(=O)N2c1ccccc1)[*:1]
COC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(OC)c(OC)c1)CC(=O)N2c1ccccc1 c1ccc(cc1)[*:1] COC(=O)Cn1c2c(sc1=O)[C@@H](CC(=O)N2[*:1])c1ccc(OC)c(c1)OC
COC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(OC)c(OC)c1)CC(=O)N2c1ccccc1 COC(=O)C[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)N(c2ccccc2)c2c1sc(=O)n2[*:1]
C[C@H](c1ccccc1)c1nc(CC#N)no1 N#CC[*:1] C[C@H](c1ccccc1)c1nc(no1)[*:1]
O=C(Cc1ccccc1NC(=O)c1cnc2cc(-c3ccccc3)[nH]n2c1=O)NC1CCCCC1 O=C(C[*:1])NC1CCCCC1 O=C(Nc1ccccc1[*:1])c1cnc2cc([nH]n2c1=O)-c1ccccc1
O=C(Cc1ccccc1NC(=O)c1cnc2cc(-c3ccccc3)[nH]n2c1=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(Nc1ccccc1C[*:1])c1cnc2cc([nH]n2c1=O)-c1ccccc1
O=C(Cc1ccccc1NC(=O)c1cnc2cc(-c3ccccc3)[nH]n2c1=O)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1NC(=O)c1cnc2cc([nH]n2c1=O)[*:1])NC1CCCCC1
O=C(Cc1ccccc1NC(=O)c1cnc2cc(-c3ccccc3)[nH]n2c1=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1ccccc1NC(=O)c1cnc2cc([nH]n2c1=O)-c1ccccc1)N[*:1]
CCc1ccccc1NC(=O)C[C@@H]1CSc2nc(C)c(C)c(=O)n21 CCc1ccccc1[*:1] Cc1nc2SC[C@@H](CC(=O)N[*:1])n2c(=O)c1C
O=C(c1ccccc1C(=O)N1CCC2(CC1)OCCc1ccsc12)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(c1ccccc1[*:1])N1CCC2(CC1)OCCc1ccsc12
C[NH2+][C@H](CCC(C)C)C(C)(C)[NH+](C)C CC(C)C[*:1] C[NH2+][C@H](C[*:1])C(C)(C)[NH+](C)C
C[NH2+][C@H](CCC(C)C)C(C)(C)[NH+](C)C CC(C)[*:1] C[NH2+][C@H](CC[*:1])C(C)(C)[NH+](C)C
C#CCCN1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 C#CC[*:1] O=C(c1ccc(cc1)N1CCCC1=O)N1CCN(CC1)C[*:1]
C#CCCN1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 C#CCC[*:1] O=C(c1ccc(cc1)N1CCCC1=O)N1CCN(CC1)[*:1]
C#CCCN1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 O=C1CCCN1[*:1] C#CCCN1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)N(C)C2CCC2)C1 C1CC(C1)[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)N(C)[*:1]
c1cn(CCC[NH2+]Cc2csc(-c3ccsc3)n2)c[nH+]1 c1cc(cs1)[*:1] c1cn(c[nH+]1)CCC[NH2+]Cc1csc(n1)[*:1]
Nc1ccc([C@@H]2CCC[NH2+]2)cc1OC(F)(F)F FC(F)(F)[*:1] Nc1ccc(cc1O[*:1])[C@@H]1CCC[NH2+]1
Nc1ccc([C@@H]2CCC[NH2+]2)cc1OC(F)(F)F FC(F)(F)O[*:1] Nc1ccc(cc1[*:1])[C@@H]1CCC[NH2+]1
O=C(CSc1nnnn1-c1ccccc1)NC1CC1 O=C(NC1CC1)[*:1] c1ccc(cc1)-n1nnnc1SC[*:1]
O=C(CSc1nnnn1-c1ccccc1)NC1CC1 C1CC1[*:1] O=C(CSc1nnnn1-c1ccccc1)N[*:1]
O=C(CSc1nnnn1-c1ccccc1)NC1CC1 c1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])NC1CC1
CC[C@@H](C)NC(=O)Cn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 Clc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)Cn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
CC[C@@H](C)NC(=O)Cn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 CC[C@@H](C)NC(=O)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1C[*:1]
CC[C@@H](C)NC(=O)Cn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 CC[C@@H](C)NC(=O)C[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1[*:1]
CC[C@@H](C)NC(=O)Cn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 CC[C@@H](C)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1CC(=O)N[*:1]
Cn1cc(C(=O)NCc2ccccc2CO)c(-c2ccc(F)cc2F)n1 OCc1ccccc1[*:1] Cn1cc(C(=O)NC[*:1])c(n1)-c1ccc(F)cc1F
Cn1cc(C(=O)NCc2ccccc2CO)c(-c2ccc(F)cc2F)n1 Fc1ccc(c(F)c1)[*:1] Cn1cc(C(=O)NCc2ccccc2CO)c(n1)[*:1]
Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)ccc21 Clc1ccc(c(Cl)c1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
C[NH+](C/C=C/CS)CC(C)(C)O CC(C)(O)[*:1] C[NH+](C/C=C/CS)C[*:1]
C[NH+](C/C=C/CS)CC(C)(C)O SCC=C[*:1] C[NH+](CC(C)(C)O)C[*:1]
O=C(NCc1ccc(F)cc1)NCC1CCN(c2cnccn2)CC1 Fc1ccc(cc1)C[*:1] O=C(NCC1CCN(CC1)c1cnccn1)N[*:1]
O=C(NCc1ccc(F)cc1)NCC1CCN(c2cnccn2)CC1 Fc1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)c1cnccn1)NC[*:1]
O=C(NCc1ccc(F)cc1)NCC1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] O=C(NCc1ccc(F)cc1)NCC1CCN(CC1)[*:1]
O=C(CCNC(=O)c1ccsc1)Nc1ccccc1F c1cc(cs1)[*:1] O=C(CCNC(=O)[*:1])Nc1ccccc1F
COC(=O)[C@H](Cc1ccccc1)NCn1nnc2ccccc21 c1ccc(cc1)C[*:1] COC(=O)[C@H](NCn1nnc2ccccc21)[*:1]
COC(=O)[C@H](Cc1ccccc1)NCn1nnc2ccccc21 c1ccc(cc1)[*:1] COC(=O)[C@H](C[*:1])NCn1nnc2ccccc21
COC(=O)[C@H](Cc1ccccc1)NCn1nnc2ccccc21 COC(=O)[*:1] c1ccc(cc1)C[C@H](NCn1nnc2ccccc21)[*:1]
Cc1cc(C)nc(SCC(C)(C)C(=O)NN)n1 NNC(=O)[*:1] Cc1cc(C)nc(n1)SCC(C)(C)[*:1]
CC(C)[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(F)c(F)c1F [O-][n+]1ccccc1[*:1] CC(C)[C@H](S[*:1])C(=O)Nc1ccc(F)c(F)c1F
CC(C)[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(F)c(F)c1F [O-][n+]1ccccc1S[*:1] CC(C)[C@H](C(=O)Nc1ccc(F)c(F)c1F)[*:1]
CC(C)[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(F)c(F)c1F CC(C)[*:1] O=C(Nc1ccc(F)c(F)c1F)[C@@H](Sc1cccc[n+]1[O-])[*:1]
CCc1noc(CN(C)C(=O)NCCc2cccc(Cl)c2)n1 CCc1noc(n1)[*:1] CN(C[*:1])C(=O)NCCc1cccc(Cl)c1
CCc1noc(CN(C)C(=O)NCCc2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CCc1noc(CN(C)C(=O)NCC[*:1])n1
CC[C@H]1CN(C(=O)COc2cccc(C#N)c2)C[C@H]1N1CCOCC1 C1CN(CCO1)[*:1] CC[C@H]1CN(C[C@@H]1[*:1])C(=O)COc1cccc(C#N)c1
CC[C@H]1CN(C(=O)COc2cccc(C#N)c2)C[C@H]1N1CCOCC1 N#Cc1cccc(c1)[*:1] CC[C@H]1CN(C[C@H]1N1CCOCC1)C(=O)CO[*:1]
CCSC[C@@H](C)N(C)C(=O)c1ccn(-c2ccc(F)cc2)n1 CCS[*:1] C[C@H](C[*:1])N(C)C(=O)c1ccn(n1)-c1ccc(F)cc1
CCSC[C@@H](C)N(C)C(=O)c1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCSC[C@@H](C)N(C)C(=O)c1ccn(n1)[*:1]
CCSC[C@@H](C)N(C)C(=O)c1ccn(-c2ccc(F)cc2)n1 CCSC[*:1] C[C@@H](N(C)C(=O)c1ccn(n1)-c1ccc(F)cc1)[*:1]
Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccco2)cc1C Cc1ccc(cc1C)S[*:1] O=C(Nc1ccnn1Cc1ccco1)c1cccnc1[*:1]
Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccco2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1ccnn1Cc1ccco1)c1cccnc1S[*:1]
Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccco2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)Sc1ncccc1C(=O)Nc1ccnn1C[*:1]
Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccco2)cc1C c1coc(c1)C[*:1] Cc1ccc(cc1C)Sc1ncccc1C(=O)Nc1ccnn1[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCc1cnn(C)c1 CC(C)[*:1] Cc1cc(ccc1NC(=O)NCc1cnn(C)c1)C(=O)N[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCc1cnn(C)c1 CC(C)NC(=O)[*:1] Cc1cc(ccc1NC(=O)NCc1cnn(C)c1)[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCc1cnn(C)c1 Cn1cc(cn1)C[*:1] Cc1cc(ccc1NC(=O)N[*:1])C(=O)NC(C)C
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCc1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1cc(ccc1NC(=O)NC[*:1])C(=O)NC(C)C
COc1ccccc1NC(=O)c1occc1COc1ccccc1 c1ccc(cc1)O[*:1] COc1ccccc1NC(=O)c1occc1C[*:1]
COc1ccccc1NC(=O)c1occc1COc1ccccc1 c1ccc(cc1)OC[*:1] COc1ccccc1NC(=O)c1occc1[*:1]
COc1ccccc1NC(=O)c1occc1COc1ccccc1 COc1ccccc1[*:1] O=C(N[*:1])c1occc1COc1ccccc1
COc1ccccc1NC(=O)c1occc1COc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)c1occc1CO[*:1]
CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)n1 c1cncc(c1)[*:1] CC(C)c1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)[C@H](C)O[*:1]
CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)n1 CC(C)c1n[nH]c(n1)[*:1] C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@H](C1)[*:1]
CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)n1 CC(C)[*:1] C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@H](C1)c1nc(n[nH]1)[*:1]
CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)n1 c1cncc(c1)O[*:1] CC(C)c1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)[C@H](C)[*:1]
CC(C)Cc1ccc([C@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)cc1 C1CC1[*:1] CC(C)Cc1ccc(cc1)[C@H](NC(=O)[C@H]1CCC(=O)N1)[*:1]
CC(C)Cc1ccc([C@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)cc1 CC(C)C[*:1] O=C1CC[C@@H](N1)C(=O)N[C@@H](c1ccc(cc1)[*:1])C1CC1
CC(C)Cc1ccc([C@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)cc1 CC(C)[*:1] O=C1CC[C@@H](N1)C(=O)N[C@@H](c1ccc(cc1)C[*:1])C1CC1
CC(C)Cc1ccc([C@H](NC(=O)[C@H]2CCC(=O)N2)C2CC2)cc1 O=C1CC[C@@H](N1)[*:1] CC(C)Cc1ccc(cc1)[C@H](NC(=O)[*:1])C1CC1
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nc3ccccc3s1)CC2 c1csc(c1)[*:1] COc1cc2CCN(Cc3nc4ccccc4s3)[C@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nc3ccccc3s1)CC2 c1ccc2sc(nc2c1)[*:1] COc1cc2CCN(C[*:1])[C@H](c3cccs3)c2cc1OC
FC(F)(F)COc1cc(CNc2cccc[nH+]2)ccn1 FC(F)(F)C[*:1] c1ccc(NCc2ccnc(c2)O[*:1])[nH+]c1
FC(F)(F)COc1cc(CNc2cccc[nH+]2)ccn1 FC(F)(F)[*:1] c1ccc(NCc2ccnc(c2)OC[*:1])[nH+]c1
FC(F)(F)COc1cc(CNc2cccc[nH+]2)ccn1 FC(F)(F)CO[*:1] c1ccc(NCc2ccnc(c2)[*:1])[nH+]c1
Cc1cc(C(=O)N(C)CC(C)(C)C)nn1-c1ccc(Br)cc1 CC(C)(C)[*:1] Cc1cc(nn1-c1ccc(Br)cc1)C(=O)N(C)C[*:1]
Cc1cc(C(=O)N(C)CC(C)(C)C)nn1-c1ccc(Br)cc1 CC(C)(C)C[*:1] Cc1cc(nn1-c1ccc(Br)cc1)C(=O)N(C)[*:1]
Cc1cc(C(=O)N(C)CC(C)(C)C)nn1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)N(C)CC(C)(C)C
CCn1cc(/C=C2/Oc3c(ccc4c3CN([C@@H]3CCS(=O)(=O)C3)CO4)C2=O)c2ccccc21 CCn1cc(c2ccccc21)[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(Cc12)[C@@H]1CCS(=O)(=O)C1
CC(C)(C)CCCNC(=O)[C@H]1CCCCN1C(=O)c1ccc([O-])nn1 CC(C)(C)CCC[*:1] O=C(N[*:1])[C@H]1CCCCN1C(=O)c1ccc([O-])nn1
CC(C)(C)CCCNC(=O)[C@H]1CCCCN1C(=O)c1ccc([O-])nn1 CC(C)(C)C[*:1] O=C(NCC[*:1])[C@H]1CCCCN1C(=O)c1ccc([O-])nn1
CC(C)(C)CCCNC(=O)[C@H]1CCCCN1C(=O)c1ccc([O-])nn1 CC(C)(C)[*:1] O=C(NCCC[*:1])[C@H]1CCCCN1C(=O)c1ccc([O-])nn1
CC(C)(C)CCCNC(=O)[C@H]1CCCCN1C(=O)c1ccc([O-])nn1 CC(C)(C)CC[*:1] O=C(NC[*:1])[C@H]1CCCCN1C(=O)c1ccc([O-])nn1
CC[C@@H](C)[C@H](C(=O)[O-])S(=O)(=O)c1cccc(OC)c1 CC[C@@H](C)[*:1] COc1cccc(c1)S(=O)(=O)[C@@H](C(=O)[O-])[*:1]
CC[C@@H](C)[C@H](C(=O)[O-])S(=O)(=O)c1cccc(OC)c1 O=C([O-])[*:1] CC[C@@H](C)[C@H](S(=O)(=O)c1cccc(c1)OC)[*:1]
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)Cc1coc2cc(C)c(C)cc12 C1CC1[*:1] COc1ccc(cc1NC(=O)Cc1coc2cc(C)c(C)cc12)S(=O)(=O)N[*:1]
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)Cc1coc2cc(C)c(C)cc12 O=S(=O)(NC1CC1)[*:1] COc1ccc(cc1NC(=O)Cc1coc2cc(C)c(C)cc12)[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCCn3cccn3)c2)C1 c1cnn(c1)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NCC[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCCn3cccn3)c2)C1 c1cnn(c1)CC[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCCn3cccn3)c2)C1 c1cnn(c1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NCCC[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCCn3cccn3)c2)C1 c1cnn(c1)CCC[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
COCCOC(=O)c1sc2nc(/C(Cl)=C/c3ccc4ccccc4c3)[nH]c(=O)c2c1C c1ccc2cc(ccc2c1)[*:1] COCCOC(=O)c1sc2nc([nH]c(=O)c2c1C)C(Cl)=C[*:1]
COCCOC(=O)c1sc2nc(/C(Cl)=C/c3ccc4ccccc4c3)[nH]c(=O)c2c1C COCC[*:1] Cc1c(sc2nc([nH]c(=O)c12)/C(Cl)=C/c1ccc2ccccc2c1)C(=O)O[*:1]
COCCOC(=O)c1sc2nc(/C(Cl)=C/c3ccc4ccccc4c3)[nH]c(=O)c2c1C COC[*:1] Cc1c(sc2nc([nH]c(=O)c12)/C(Cl)=C/c1ccc2ccccc2c1)C(=O)OC[*:1]
COCCOC(=O)c1sc2nc(/C(Cl)=C/c3ccc4ccccc4c3)[nH]c(=O)c2c1C COCCOC(=O)[*:1] Cc1c(sc2nc([nH]c(=O)c12)/C(Cl)=C/c1ccc2ccccc2c1)[*:1]
CC(=O)N[C@H](C(=O)N1CCC(C(=O)N(C)C)CC1)C(C)C CC(=O)N[*:1] CC(C)[C@@H](C(=O)N1CCC(CC1)C(=O)N(C)C)[*:1]
CC(=O)N[C@H](C(=O)N1CCC(C(=O)N(C)C)CC1)C(C)C CN(C)C(=O)[*:1] CC(=O)N[C@H](C(=O)N1CCC(CC1)[*:1])C(C)C
CC(=O)N[C@H](C(=O)N1CCC(C(=O)N(C)C)CC1)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)N1CCC(CC1)C(=O)N(C)C)[*:1]
NS(=O)(=O)CCCC(=O)N1CCC(Cc2ccccc2F)CC1 NS(=O)(=O)CC[*:1] O=C(C[*:1])N1CCC(CC1)Cc1ccccc1F
NS(=O)(=O)CCCC(=O)N1CCC(Cc2ccccc2F)CC1 NS(=O)(=O)C[*:1] O=C(CC[*:1])N1CCC(CC1)Cc1ccccc1F
NS(=O)(=O)CCCC(=O)N1CCC(Cc2ccccc2F)CC1 NS(=O)(=O)CCC[*:1] O=C(N1CCC(CC1)Cc1ccccc1F)[*:1]
NS(=O)(=O)CCCC(=O)N1CCC(Cc2ccccc2F)CC1 Fc1ccccc1[*:1] NS(=O)(=O)CCCC(=O)N1CCC(CC1)C[*:1]
NS(=O)(=O)CCCC(=O)N1CCC(Cc2ccccc2F)CC1 NS(=O)(=O)[*:1] O=C(CCC[*:1])N1CCC(CC1)Cc1ccccc1F
COCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1 COCC[*:1] NC(=O)NCC(=O)N1CCC[C@](CO)(C1)C[*:1]
COCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1 NC(=O)N[*:1] COCCC[C@]1(CO)CCCN(C1)C(=O)C[*:1]
COCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1 COCCC[*:1] NC(=O)NCC(=O)N1CCC[C@@](CO)(C1)[*:1]
COCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1 NC(=O)NC[*:1] COCCC[C@]1(CO)CCCN(C1)C(=O)[*:1]
COCCC[C@]1(CO)CCCN(C(=O)CNC(N)=O)C1 COC[*:1] NC(=O)NCC(=O)N1CCC[C@@](CO)(CC[*:1])C1
COC(=O)c1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)C(=O)NCCC(=O)N[*:1]
COC(=O)c1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1 COC(=O)[*:1] O=C(CCNC(=O)c1ccc(cc1)[*:1])Nc1ccc(Br)cc1
O=C(/C=C\c1nc2ccccc2o1)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(/C=C\c1nc2ccccc2o1)Nc1cccc(c1)C(=O)N[*:1]
O=C(/C=C\c1nc2ccccc2o1)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(/C=C\c1nc2ccccc2o1)Nc1cccc(c1)[*:1]
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H](N2CCNC2=O)C1 Clc1cccc(c1)O[*:1] CC(C)[C@@H](C(=O)N1CCC[C@@H](C1)N1CCNC1=O)[*:1]
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H](N2CCNC2=O)C1 CC(C)[*:1] O=C([C@H](Oc1cccc(Cl)c1)[*:1])N1CCC[C@@H](C1)N1CCNC1=O
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H](N2CCNC2=O)C1 O=C1NCCN1[*:1] CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H](C1)[*:1]
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H](N2CCNC2=O)C1 Clc1cccc(c1)[*:1] CC(C)[C@@H](O[*:1])C(=O)N1CCC[C@@H](C1)N1CCNC1=O
CCC[C@](C)(Nc1cccc(Br)c1)C(=O)[O-] O=C([O-])[*:1] CCC[C@](C)(Nc1cccc(Br)c1)[*:1]
CCC[C@](C)(Nc1cccc(Br)c1)C(=O)[O-] CCC[*:1] C[C@](Nc1cccc(Br)c1)(C(=O)[O-])[*:1]
O=[N+]([O-])c1ccc(C(=S)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)C(=S)NC[*:1]
O=[N+]([O-])c1ccc(C(=S)NCc2ccccc2)cc1 O=[N+]([O-])[*:1] S=C(NCc1ccccc1)c1ccc(cc1)[*:1]
Cc1cc(C)nc(NC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)n1 Cc1cc(C)nc(n1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1cc(ncn1)-n1cccn1
Cc1cc(C)nc(NC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)n1 c1cnn(c1)[*:1] Cc1cc(C)nc(n1)NC(=O)[C@@H]1CCCN(C1)c1cc(ncn1)[*:1]
[NH3+][C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1F O=C([O-])[*:1] [NH3+][C@@H](C[*:1])c1ccc(cc1F)C(F)(F)F
[NH3+][C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1F FC(F)(F)[*:1] [NH3+][C@@H](CC(=O)[O-])c1ccc(cc1F)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccccc2-n2cnnn2)C1 c1nnnn1[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)c1ccccc1[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccccc2-n2cnnn2)C1 CC(C)C[*:1] O=C(c1ccccc1-n1cnnn1)N1CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccccc2-n2cnnn2)C1 CC(C)[*:1] O=C(c1ccccc1-n1cnnn1)N1CC[C@H](C1)OCC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccccc2-n2cnnn2)C1 CC(C)CC[*:1] O=C(c1ccccc1-n1cnnn1)N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccccc2-n2cnnn2)C1 CC(C)CCO[*:1] O=C(c1ccccc1-n1cnnn1)N1CC[C@H](C1)[*:1]
Cc1cccc(C[C@@H]([NH2+]C2C[C@@H](C)O[C@H](C)C2)C2CC2)c1 Cc1cccc(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)[NH2+][C@H](C[*:1])C1CC1
Cc1cccc(C[C@@H]([NH2+]C2C[C@@H](C)O[C@H](C)C2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[*:1]
COc1ccc(-n2nc(C(=O)NCc3ccc(C)nc3)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cn1)CNC(=O)c1cc(C)n(n1)[*:1]
COc1ccc(-n2nc(C(=O)NCc3ccc(C)nc3)cc2C)cc1 Cc1ccc(cn1)[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)NC[*:1]
COc1ccc(-n2nc(C(=O)NCc3ccc(C)nc3)cc2C)cc1 Cc1ccc(cn1)C[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)N[*:1]
FC(F)(F)Oc1ccc(CCSc2ncn[nH]2)cc1 FC(F)(F)O[*:1] c1n[nH]c(n1)SCCc1ccc(cc1)[*:1]
FC(F)(F)Oc1ccc(CCSc2ncn[nH]2)cc1 FC(F)(F)[*:1] c1n[nH]c(n1)SCCc1ccc(cc1)O[*:1]
FC(F)(F)Oc1ccc(CCSc2ncn[nH]2)cc1 c1n[nH]c(n1)S[*:1] FC(F)(F)Oc1ccc(cc1)CC[*:1]
FC(F)(F)Oc1ccc(CCSc2ncn[nH]2)cc1 c1n[nH]c(n1)[*:1] FC(F)(F)Oc1ccc(cc1)CCS[*:1]
C[C@H](NC(=O)c1ccccc1NC(=O)COc1cccc2c1CCC[C@@H]2O)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccccc1C(=O)N[*:1]
C[C@H](NC(=O)c1ccccc1NC(=O)COc1cccc2c1CCC[C@@H]2O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1NC(=O)COc1cccc2c1CCC[C@@H]2O)[*:1]
C[C@H](NC(=O)c1ccccc1NC(=O)COc1cccc2c1CCC[C@@H]2O)c1ccccc1 C[C@H](NC(=O)[*:1])c1ccccc1 O=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccccc1[*:1]
CCN(CCC(=O)[O-])C(=O)C1(C)CCCC1 O=C([O-])C[*:1] CCN(C[*:1])C(=O)C1(C)CCCC1
CCN(CCC(=O)[O-])C(=O)C1(C)CCCC1 O=C([O-])CC[*:1] CCN(C(=O)C1(C)CCCC1)[*:1]
CCN(CCC(=O)[O-])C(=O)C1(C)CCCC1 O=C([O-])[*:1] CCN(CC[*:1])C(=O)C1(C)CCCC1
Cn1cc(C(N)=O)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] Cn1cc(C(N)=O)c(n1)NC(=O)CCc1cccc(c1)[*:1]
Cn1cc(C(N)=O)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)n1 NC(=O)[*:1] Cn1cc(c(n1)NC(=O)CCc1cccc(c1)[N+](=O)[O-])[*:1]
C[C@](O)(CNC(=O)c1ccccc1Br)C1CC1 C1CC1[*:1] C[C@](O)(CNC(=O)c1ccccc1Br)[*:1]
COc1ccc2oc(C(=O)Nc3ccccc3C(C)=O)c(C)c2c1 CC(=O)[*:1] COc1ccc2oc(C(=O)Nc3ccccc3[*:1])c(C)c2c1
C[C@](O)(CNC(=O)c1ccc(OC(F)F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)OC(F)F)[*:1]
C[C@](O)(CNC(=O)c1ccc(OC(F)F)cc1)c1ccc(F)cc1 FC(F)[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)O[*:1])c1ccc(F)cc1
C[C@](O)(CNC(=O)c1ccc(OC(F)F)cc1)c1ccc(F)cc1 FC(F)O[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)[*:1])c1ccc(F)cc1
O=C1S/C(=C\c2cccs2)C(=O)N1c1ccccc1 c1csc(c1)[*:1] O=C1SC(=C[*:1])C(=O)N1c1ccccc1
O=C1S/C(=C\c2cccs2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1S/C(=C\c2cccs2)C(=O)N1[*:1]
[NH3+][C@@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1 c1csc(c1)[*:1] [NH3+][C@@H]1CCN(C1)c1cc([nH]n1)[*:1]
COCCC[NH2+][C@@H](C(N)=O)c1ccccc1 NC(=O)[*:1] COCCC[NH2+][C@@H](c1ccccc1)[*:1]
COCCC[NH2+][C@@H](C(N)=O)c1ccccc1 COCC[*:1] NC(=O)[C@H]([NH2+]C[*:1])c1ccccc1
COCCC[NH2+][C@@H](C(N)=O)c1ccccc1 COC[*:1] NC(=O)[C@H]([NH2+]CC[*:1])c1ccccc1
COCCC[NH2+][C@@H](C(N)=O)c1ccccc1 COCCC[*:1] NC(=O)[C@H]([NH2+][*:1])c1ccccc1
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O c1cc2OCCCOc2cc1[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2ccccc2c1
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O c1ccc2cc(ccc2c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc3OCCCOc3c2)C1=O)[*:1]
CC(C)c1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] CC(C)c1ccc(cc1)[C@@H](C)[NH2+]C[*:1]
CC(C)c1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2)cc1 CC(C)[*:1] C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(cc1)[*:1]
Cc1cc(CC(=O)NCC2(O)CCCCCC2)no1 Cc1cc(no1)[*:1] O=C(C[*:1])NCC1(O)CCCCCC1
Cc1cc(C)c(C(=O)CN)cc1C NCC(=O)[*:1] Cc1cc(C)c(cc1C)[*:1]
CCNC(=O)C[NH+](CC)Cc1nc(C)cs1 CCNC(=O)[*:1] CC[NH+](Cc1nc(C)cs1)C[*:1]
O=C(CSc1nnnn1-c1ccccc1)c1ccccc1O Oc1ccccc1[*:1] O=C(CSc1nnnn1-c1ccccc1)[*:1]
O=C(CSc1nnnn1-c1ccccc1)c1ccccc1O c1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])c1ccccc1O
C[C@@H](C[NH3+])c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H](C[NH3+])c1ccc(cc1)[*:1]
CC[C@H](C)[C@H](O)[C@]1(C[NH3+])CCc2ccccc21 CC[C@H](C)[*:1] [NH3+]C[C@]1(CCc2ccccc21)[C@@H](O)[*:1]
O=C(N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1ccncc1 c1cc(ccn1)[*:1] O=C1C[C@@H](CN1Cc1cccc2ccccc12)NC(=O)[*:1]
CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)Cc2cccs2)cc1 CCOC(=O)N[*:1] C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)Cc2cccs2)cc1 c1csc(c1)C[*:1] CCOC(=O)Nc1ccc(cc1)NC(=O)N(C)[C@H](C)[*:1]
CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)Cc2cccs2)cc1 c1csc(c1)[*:1] CCOC(=O)Nc1ccc(cc1)NC(=O)N(C)[C@H](C)C[*:1]
COC(=O)[C@H]1[NH+]=c2ccccc2=C2NC(=O)C(c3ccc(F)cc3)=NN2[C@H]1C(=O)OC COC(=O)[*:1] COC(=O)[C@H]1[C@H]([NH+]=c2ccccc2=C2NC(=O)C(=NN21)c1ccc(F)cc1)[*:1]
COC(=O)[C@H]1[NH+]=c2ccccc2=C2NC(=O)C(c3ccc(F)cc3)=NN2[C@H]1C(=O)OC COC(=O)[*:1] COC(=O)[C@H]1[NH+]=c2ccccc2=C2NC(=O)C(=NN2[C@@H]1[*:1])c1ccc(F)cc1
COC(=O)[C@H]1[NH+]=c2ccccc2=C2NC(=O)C(c3ccc(F)cc3)=NN2[C@H]1C(=O)OC Fc1ccc(cc1)[*:1] COC(=O)[C@H]1[NH+]=c2ccccc2=C2NC(=O)C(=NN2[C@H]1C(=O)OC)[*:1]
CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@@H](C)c2ccc(C)s2)c1 CC(=O)N[*:1] Cc1ccc(s1)[C@H](C)N(C)C(=O)N[C@H](C)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@@H](C)c2ccc(C)s2)c1 Cc1ccc(s1)[*:1] CC(=O)Nc1cccc(c1)[C@@H](C)NC(=O)N(C)[C@@H](C)[*:1]
CCOC(=O)c1c(NC(=O)c2cccc(C)c2[N+](=O)[O-])sc2c1CCCC2 CCOC(=O)[*:1] Cc1cccc(C(=O)Nc2sc3CCCCc3c2[*:1])c1[N+](=O)[O-]
CCOC(=O)c1c(NC(=O)c2cccc(C)c2[N+](=O)[O-])sc2c1CCCC2 O=[N+]([O-])[*:1] CCOC(=O)c1c(NC(=O)c2cccc(C)c2[*:1])sc2CCCCc21
C[C@H](CNC(=O)N(C)Cc1ccc(Cl)nc1)C[NH+]1CCCCC1 Clc1ccc(cn1)[*:1] C[C@H](CNC(=O)N(C)C[*:1])C[NH+]1CCCCC1
NC(=O)c1cc(Cl)ccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 C1CCC(CC1)[*:1] NC(=O)c1cc(Cl)ccc1OCC(=O)N(Cc1ccc(F)cc1)[*:1]
NC(=O)c1cc(Cl)ccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 Fc1ccc(cc1)[*:1] NC(=O)c1cc(Cl)ccc1OCC(=O)N(C[*:1])C1CCCCC1
NC(=O)c1cc(Cl)ccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 NC(=O)[*:1] O=C(COc1ccc(Cl)cc1[*:1])N(Cc1ccc(F)cc1)C1CCCCC1
NC(=O)c1cc(Cl)ccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 Fc1ccc(cc1)C[*:1] NC(=O)c1cc(Cl)ccc1OCC(=O)N(C1CCCCC1)[*:1]
COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(Cl)cc2Cl)[C@H]1C(=O)c1ccccc1 Clc1ccc(c(Cl)c1)[*:1] COC(=O)C1=Nc2nnnn2[C@@H]([C@H]1C(=O)c1ccccc1)[*:1]
COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(Cl)cc2Cl)[C@H]1C(=O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(Cl)cc2Cl)[C@H]1C(=O)[*:1]
COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(Cl)cc2Cl)[C@H]1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(Cl)cc2Cl)[C@@H]1[*:1]
C[C@H](NC(=O)c1ccncc1Cl)c1ccc(C(F)(F)F)cc1 Clc1cnccc1[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)C(F)(F)F
C[C@H](NC(=O)c1ccncc1Cl)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)c1ccncc1Cl)c1ccc(cc1)[*:1]
CC(C)(NCC(=O)NCC(F)(F)F)c1ccc(F)cc1Cl FC(F)(F)[*:1] CC(C)(NCC(=O)NC[*:1])c1ccc(F)cc1Cl
CC(C)(NCC(=O)NCC(F)(F)F)c1ccc(F)cc1Cl FC(F)(F)C[*:1] CC(C)(NCC(=O)N[*:1])c1ccc(F)cc1Cl
O=C(OC1CCCC1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccn2)cc1 O=C(OC1CCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[C@@H]1c1ccccn1
O=C(OC1CCCC1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccn2)cc1 c1ccc(nc1)[*:1] O=C(OC1CCCC1)c1ccc(cc1)NC(=O)N1CCC[C@H]1[*:1]
O=C(OC1CCCC1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccn2)cc1 C1CCC(C1)[*:1] O=C(O[*:1])c1ccc(cc1)NC(=O)N1CCC[C@@H]1c1ccccn1
Cc1cccc(Cc2cnc(NC(=O)[C@H]3C[C@H]4CC[C@@H]3O4)s2)c1Cl Cc1cccc(c1Cl)[*:1] O=C(Nc1ncc(C[*:1])s1)[C@H]1C[C@H]2CC[C@@H]1O2
O=C(NCc1nnc2n1CCC2)Nc1cccc(-n2cccc2)c1 C1Cc2nnc(n2C1)[*:1] O=C(NC[*:1])Nc1cccc(c1)-n1cccc1
O=C(NCc1nnc2n1CCC2)Nc1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] O=C(NCc1nnc2CCCn21)Nc1cccc(c1)[*:1]
CSC[C@H](C)N(C)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)(C)NC(=O)[*:1] CSC[C@H](C)N(C)C(=O)Nc1cccc(c1)[*:1]
CSC[C@H](C)N(C)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] CSC[C@H](C)N(C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CSC[C@H](C)N(C)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CSC[*:1] C[C@H](N(C)C(=O)Nc1cccc(c1)C(=O)NC(C)(C)C)[*:1]
C[C@H](Nc1ccccc1CCC(F)(F)F)c1nc(C2CC2)no1 FC(F)(F)CC[*:1] C[C@H](Nc1ccccc1[*:1])c1nc(no1)C1CC1
C[C@H](Nc1ccccc1CCC(F)(F)F)c1nc(C2CC2)no1 FC(F)(F)[*:1] C[C@H](Nc1ccccc1CC[*:1])c1nc(no1)C1CC1
C[C@H](Nc1ccccc1CCC(F)(F)F)c1nc(C2CC2)no1 C1CC1[*:1] C[C@H](Nc1ccccc1CCC(F)(F)F)c1nc(no1)[*:1]
C[C@H](Nc1ccccc1CCC(F)(F)F)c1nc(C2CC2)no1 FC(F)(F)C[*:1] C[C@H](Nc1ccccc1C[*:1])c1nc(no1)C1CC1
Cc1cccc(NC(=O)C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1C Cc1cccc(c1C)[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1nc2ccccc2[nH]1
CCc1nc(CCNC(=O)N(C)[C@H](C)Cc2cccs2)sc1C c1csc(c1)[*:1] CCc1nc(CCNC(=O)N(C)[C@H](C)C[*:1])sc1C
CCc1nc(CCNC(=O)N(C)[C@H](C)Cc2cccs2)sc1C c1csc(c1)C[*:1] CCc1nc(CCNC(=O)N(C)[C@H](C)[*:1])sc1C
COc1ccc(Br)c(C(=O)OCc2csc(-c3ccsc3)n2)c1 c1cc(cs1)[*:1] COc1ccc(Br)c(c1)C(=O)OCc1csc(n1)[*:1]
C[C@@H](CCCO)NC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl C[C@@H](CCCO)[*:1] C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N[*:1]
C[C@@H](CCCO)NC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl OCC[*:1] C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N[C@@H](C)C[*:1]
C[C@@H](CCCO)NC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl OCCC[*:1] C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N[C@H](C)[*:1]
O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 c1csc(c1)[*:1] O=S(=O)(NC[C@H](S(=O)(=O)c1ccc(Cl)cc1)[*:1])c1ccc(F)cc1
O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(c1ccc(Cl)cc1)[C@H](CNS(=O)(=O)[*:1])c1cccs1
O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)[*:1])c1ccc(F)cc1
CC[NH2+][C@@H]([C@H]1CCOC2(CCC2)C1)[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] CC[NH2+][C@@H]([C@H]1CCOC2(CCC2)C1)[*:1]
Cc1ccc([C@@H]2[C@H](C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)CC(=O)N2C)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](C(=O)N2CCCN(CC2)C(=O)OC(C)(C)C)[C@H]1[*:1]
Cc1ccc([C@@H]2[C@H](C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)CC(=O)N2C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)[C@@H]1[C@@H](CC(=O)N1C)C(=O)N1CCCN(CC1)C(=O)O[*:1]
N#Cc1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)o1 N#Cc1ccc(o1)[*:1] OCCn1nccc1C1CC[NH+](CC1)C[*:1]
N#Cc1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)o1 OCC[*:1] N#Cc1ccc(C[NH+]2CCC(CC2)c2ccnn2[*:1])o1
O=C(Nc1cccc(Cl)c1Cl)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 Clc1cccc(c1Cl)[*:1] O=C(N[*:1])C1CCN(CC1)C1=NS(=O)(=O)c2ccccc21
CC[C@@H](C)NC(=O)C1(CC(C)C)CCCC1 CC[C@@H](C)[*:1] CC(C)CC1(CCCC1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)C1(CC(C)C)CCCC1 CC(C)[*:1] CC[C@@H](C)NC(=O)C1(CCCC1)C[*:1]
CC[C@@H](C)NC(=O)C1(CC(C)C)CCCC1 CC(C)C[*:1] CC[C@@H](C)NC(=O)C1(CCCC1)[*:1]
CCOC(=O)c1cc2cc(NCc3nnc(C4CC4)o3)ccc2s1 C1CC1c1nnc(o1)[*:1] CCOC(=O)c1cc2cc(ccc2s1)NC[*:1]
CCOC(=O)c1cc2cc(NCc3nnc(C4CC4)o3)ccc2s1 CCOC(=O)[*:1] c1cc2sc(cc2cc1NCc1nnc(o1)C1CC1)[*:1]
CCOC(=O)c1cc2cc(NCc3nnc(C4CC4)o3)ccc2s1 C1CC1[*:1] CCOC(=O)c1cc2cc(ccc2s1)NCc1nnc(o1)[*:1]
CC(C)[C@H](CNC(=O)c1nc[nH]n1)[NH+]1CCCC1 CC(C)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1nc[nH]n1
CC(C)[C@H](CNC(=O)c1nc[nH]n1)[NH+]1CCCC1 c1nc(n[nH]1)[*:1] CC(C)[C@H](CNC(=O)[*:1])[NH+]1CCCC1
CCCCOc1cccc(CNC(=O)[C@H]2CCO[C@@H]2C)c1 CCC[*:1] C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(c1)OC[*:1]
CCCCOc1cccc(CNC(=O)[C@H]2CCO[C@@H]2C)c1 CCCCO[*:1] C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(c1)[*:1]
CCCCOc1cccc(CNC(=O)[C@H]2CCO[C@@H]2C)c1 CCCC[*:1] C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(c1)O[*:1]
O=C(NCC1(C2CC2)CCC1)N[C@@H](CO)c1ccc(Cl)c(F)c1 C1CC(C1)(C1CC1)[*:1] O=C(NC[*:1])N[C@@H](CO)c1ccc(Cl)c(F)c1
O=C(NCC1(C2CC2)CCC1)N[C@@H](CO)c1ccc(Cl)c(F)c1 C1CC1[*:1] O=C(NCC1(CCC1)[*:1])N[C@@H](CO)c1ccc(Cl)c(F)c1
Cc1ccccc1[C@@]1(C)NC(=O)N(CCOc2ccccc2)C1=O c1ccc(cc1)[*:1] Cc1ccccc1[C@@]1(C)NC(=O)N(CCO[*:1])C1=O
Cc1ccccc1[C@@]1(C)NC(=O)N(CCOc2ccccc2)C1=O c1ccc(cc1)OC[*:1] Cc1ccccc1[C@@]1(C)NC(=O)N(C[*:1])C1=O
Cc1ccccc1[C@@]1(C)NC(=O)N(CCOc2ccccc2)C1=O c1ccc(cc1)O[*:1] Cc1ccccc1[C@@]1(C)NC(=O)N(CC[*:1])C1=O
Cc1ccccc1[C@@]1(C)NC(=O)N(CCOc2ccccc2)C1=O Cc1ccccc1[*:1] C[C@]1(NC(=O)N(CCOc2ccccc2)C1=O)[*:1]
C=C(C)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 C=C(C)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)CSC[*:1]
C=C(C)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 C=C(C)CS[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)C[*:1]
C=C(C)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 C=C(C)CSC[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)[*:1]
C=C(C)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] C=C(C)CSCc1coc(n1)-c1ccc(cc1)[*:1]
C=C(C)CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 C=C(C)C[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)CS[*:1]
CCC[C@H](/C([O-])=N/S(=O)(=O)c1ccc(OC)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](/C([O-])=N/S(=O)(=O)c1ccc(cc1)OC)[*:1]
CCC[C@H](/C([O-])=N/S(=O)(=O)c1ccc(OC)cc1)c1ccccc1 COc1ccc(cc1)[*:1] CCC[C@H](/C([O-])=N/S(=O)(=O)[*:1])c1ccccc1
CCC[C@H](/C([O-])=N/S(=O)(=O)c1ccc(OC)cc1)c1ccccc1 CCC[*:1] COc1ccc(cc1)S(=O)(=O)/N=C(\[O-])[C@H](c1ccccc1)[*:1]
CCC[C@@H]1CN(C(=O)C(C2CC2)C2CC2)CCO1 CCC[*:1] O=C(C(C1CC1)C1CC1)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)C(C2CC2)C2CC2)CCO1 C1CC1[*:1] CCC[C@@H]1CN(CCO1)C(=O)C(C1CC1)[*:1]
COc1cccc(C[C@@H](O)[C@H]2CN(C(C)C)CCO2)c1 CC(C)[*:1] COc1cccc(c1)C[C@@H](O)[C@H]1CN(CCO1)[*:1]
c1ccc(-c2cccc(C[NH+]3CCCN(c4nccs4)CC3)c2)nc1 c1csc(n1)[*:1] c1ccc(nc1)-c1cccc(c1)C[NH+]1CCCN(CC1)[*:1]
c1ccc(-c2cccc(C[NH+]3CCCN(c4nccs4)CC3)c2)nc1 c1ccc(nc1)[*:1] c1cc(cc(c1)[*:1])C[NH+]1CCCN(CC1)c1nccs1
O=C(NC[C@H](O)c1ccco1)c1ccc(-n2cnc3ccccc32)cc1 c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])c1ccc(cc1)-n1cnc2ccccc21
Cc1ccccc1N(CC(=O)Nc1cnn(C)c1)S(C)(=O)=O Cc1ccccc1[*:1] Cn1cc(cn1)NC(=O)CN(S(C)(=O)=O)[*:1]
Cc1ccccc1N(CC(=O)Nc1cnn(C)c1)S(C)(=O)=O Cn1cc(cn1)[*:1] Cc1ccccc1N(CC(=O)N[*:1])S(C)(=O)=O
COC[C@@H](C)NC(=O)CNc1ccc(F)cc1Cl COC[*:1] C[C@@H](NC(=O)CNc1ccc(F)cc1Cl)[*:1]
COC[C@@H](C)NC(=O)CNc1ccc(F)cc1Cl COC[C@@H](C)[*:1] O=C(CNc1ccc(F)cc1Cl)N[*:1]
CC(C)(C)OC(=O)NC1(CC(=O)Oc2ccc(C#N)cc2Cl)CCC1 CC(C)(C)[*:1] N#Cc1ccc(OC(=O)CC2(CCC2)NC(=O)O[*:1])c(Cl)c1
CC(C)(C)OC(=O)NC1(CC(=O)Oc2ccc(C#N)cc2Cl)CCC1 CC(C)(C)OC(=O)N[*:1] N#Cc1ccc(OC(=O)CC2(CCC2)[*:1])c(Cl)c1
Cc1ccc(C(=O)Nc2cc(Cl)ccc2N(C)C)c(C)c1 CN(C)[*:1] Cc1ccc(C(=O)Nc2cc(Cl)ccc2[*:1])c(C)c1
C[C@@H](C(N)=O)N1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 NC(=O)[*:1] C[C@@H](N1CC[NH+](CC1)Cc1cc(=O)oc2ccc3ccccc3c12)[*:1]
O=C1NC(=O)N(Cc2ccco2)C(=O)[C@@H]1/C=N/CCC[NH+]1CCOCC1 c1coc(c1)C[*:1] O=C1NC(=O)N(C(=O)[C@@H]1/C=N/CCC[NH+]1CCOCC1)[*:1]
O=C1NC(=O)N(Cc2ccco2)C(=O)[C@@H]1/C=N/CCC[NH+]1CCOCC1 c1coc(c1)[*:1] O=C1NC(=O)N(C[*:1])C(=O)[C@@H]1/C=N/CCC[NH+]1CCOCC1
Cn1cccc1[C@H](O)CNS(=O)(=O)c1ccc(F)cc1 Cn1cccc1[*:1] O=S(=O)(NC[C@@H](O)[*:1])c1ccc(F)cc1
CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1 FC(F)(F)C[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1S[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccccc1SCC(F)(F)F)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1 FC(F)(F)CS[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1 FC(F)(F)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1SC[*:1]
COc1cccc(S(=O)(=O)N(Cc2ccsc2)Cc2ccccn2)c1 COc1cccc(c1)[*:1] O=S(=O)(N(Cc1ccsc1)Cc1ccccn1)[*:1]
COc1cccc(S(=O)(=O)N(Cc2ccsc2)Cc2ccccn2)c1 c1ccc(C[*:1])nc1 COc1cccc(c1)S(=O)(=O)N(Cc1ccsc1)[*:1]
COc1cccc(S(=O)(=O)N(Cc2ccsc2)Cc2ccccn2)c1 c1cc(cs1)[*:1] COc1cccc(c1)S(=O)(=O)N(Cc1ccccn1)C[*:1]
COc1cccc(S(=O)(=O)N(Cc2ccsc2)Cc2ccccn2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)S(=O)(=O)N(Cc1ccsc1)C[*:1]
COc1cccc(S(=O)(=O)N(Cc2ccsc2)Cc2ccccn2)c1 c1cc(cs1)C[*:1] COc1cccc(c1)S(=O)(=O)N(Cc1ccccn1)[*:1]
O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc(=O)n(-c2ccccc2)n1 Clc1cccc(c1)[*:1] O=C(NCC1(CCOCC1)[*:1])c1ccc(=O)n(n1)-c1ccccc1
O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc(=O)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)c1cccc(Cl)c1)c1ccc(=O)n(n1)[*:1]
CCOc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 CCOc1cccc(c1)[*:1] CC(C)c1ccc(cc1)CN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
CCOc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 CC(C)c1ccc(cc1)[*:1] CCOc1cccc(c1)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCOc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 CCO[*:1] CC(C)c1ccc(cc1)CN(C(=O)c1cccc(c1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCOc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 CC(C)[*:1] CCOc1cccc(c1)C(=O)N(Cc1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCC[NH2+][C@H](Cc1nc(-c2ccccc2)cs1)C(C)(C)C c1ccc(cc1)[*:1] CCC[NH2+][C@H](Cc1nc(cs1)[*:1])C(C)(C)C
CCC[NH2+][C@H](Cc1nc(-c2ccccc2)cs1)C(C)(C)C CCC[*:1] CC(C)(C)[C@@H](Cc1nc(cs1)-c1ccccc1)[NH2+][*:1]
CCC[NH2+][C@H](Cc1nc(-c2ccccc2)cs1)C(C)(C)C CC(C)(C)[*:1] CCC[NH2+][C@H](Cc1nc(cs1)-c1ccccc1)[*:1]
CCO[C@@H](CC)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 CCO[*:1] CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)[*:1]
CCO[C@@H](CC)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 CN(C)C(=O)[*:1] CCO[C@@H](CC)C(=O)Nc1ccc(c(C)c1)[*:1]
CCO[C@@H](CC)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 CCO[C@@H](CC)[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)[*:1]
C/C=C/[C@@H]1C[C@@H](N(CCC)C(=O)Nc2cc(OC)cc(OC)c2)C[C@H]2c3ccccc3C(=O)N12 CCC[*:1] C/C=C/[C@@H]1C[C@H](C[C@H]2c3ccccc3C(=O)N12)N(C(=O)Nc1cc(cc(c1)OC)OC)[*:1]
C/C=C/[C@@H]1C[C@@H](N(CCC)C(=O)Nc2cc(OC)cc(OC)c2)C[C@H]2c3ccccc3C(=O)N12 COc1cc(cc(c1)[*:1])OC C/C=C/[C@@H]1C[C@H](C[C@H]2c3ccccc3C(=O)N12)N(CCC)C(=O)N[*:1]
C/C=C/[C@@H]1C[C@@H](N(CCC)C(=O)Nc2cc(OC)cc(OC)c2)C[C@H]2c3ccccc3C(=O)N12 CC=C[*:1] CCCN(C(=O)Nc1cc(cc(c1)OC)OC)[C@H]1C[C@H]2c3ccccc3C(=O)N2[C@@H](C1)[*:1]
Cn1nc(C(=O)[O-])cc1C1CC1 C1CC1[*:1] Cn1nc(cc1[*:1])C(=O)[O-]
Cn1nc(C(=O)[O-])cc1C1CC1 O=C([O-])[*:1] Cn1nc(cc1C1CC1)[*:1]
CCOC[C@@H](C)N1CCC(=O)N2CCCC[C@@H]2C1=O CCOC[C@@H](C)[*:1] O=C1CCN(C(=O)[C@H]2CCCCN12)[*:1]
CCOC[C@@H](C)N1CCC(=O)N2CCCC[C@@H]2C1=O CCOC[*:1] C[C@@H](N1CCC(=O)N2CCCC[C@@H]2C1=O)[*:1]
CCOC[C@@H](C)N1CCC(=O)N2CCCC[C@@H]2C1=O CCO[*:1] C[C@H](C[*:1])N1CCC(=O)N2CCCC[C@@H]2C1=O
CCC[NH2+][C@H]1[C@H]([S@@](=O)c2ccccc2Cl)CCCC1(C)C CCC[*:1] CC1(C)CCC[C@H]([C@@H]1[NH2+][*:1])[S@@](=O)c1ccccc1Cl
CCC[NH2+][C@H]1[C@H]([S@@](=O)c2ccccc2Cl)CCCC1(C)C Clc1ccccc1[*:1] CCC[NH2+][C@H]1[C@@H](CCCC1(C)C)[S@@](=O)[*:1]
Cc1ccc(C(=O)CCC(=O)N2CCN(Cc3ccc(Br)cn3)CC2)cc1 Brc1ccc(C[*:1])nc1 Cc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)CCC(=O)N2CCN(Cc3ccc(Br)cn3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N1CCN(CC1)Cc1ccc(Br)cn1
Cc1ccc(C(=O)CCC(=O)N2CCN(Cc3ccc(Br)cn3)CC2)cc1 Brc1ccc(nc1)[*:1] Cc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)C[*:1]
Cc1ccc(C(=O)CCC(=O)N2CCN(Cc3ccc(Br)cn3)CC2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1ccc(Br)cn1
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=C[*:1]
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2cccnc2)n1[*:1])N/N=C/c1c[nH]c2ccccc12
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12 c1cncc(c1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])N/N=C/c1c[nH]c2ccccc12
COc1ccc2ccccc2c1C[NH+]1CCC(c2noc(C)n2)CC1 Cc1nc(no1)[*:1] COc1ccc2ccccc2c1C[NH+]1CCC(CC1)[*:1]
Cc1ccc(Sc2ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)S[*:1]
c1ccc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)nc1 c1ccc(nc1)[*:1] c1cc(ncc1C[NH2+]C[*:1])N1CCCCCC1
c1ccc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)nc1 C1CCCN(CC1)[*:1] c1ccc(C[NH2+]Cc2ccc(nc2)[*:1])nc1
c1ccc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)nc1 c1ccc(C[*:1])nc1 c1cc(ncc1C[NH2+][*:1])N1CCCCCC1
C[C@@H](O)[C@H](NC(=O)c1cc(Cl)nnc1Cl)C(=O)[O-] C[C@@H](O)[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1cc(Cl)nnc1Cl
C[C@@H](O)[C@H](NC(=O)c1cc(Cl)nnc1Cl)C(=O)[O-] O=C([O-])[*:1] C[C@@H](O)[C@H](NC(=O)c1cc(Cl)nnc1Cl)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)CCCO)c1 OCC[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)C[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)CCCO)c1 CCNC(=O)[*:1] Cc1ccc(cc1NC(=O)CCCO)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)CCCO)c1 OCCC[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)[*:1]
CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)N(CCc4c[nH]c5ccc(Cl)cc45)C3)sc2c1 Clc1ccc2[nH]cc(c2c1)[*:1] CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)N(CC[*:1])C3)sc2c1
CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)N(CCc4c[nH]c5ccc(Cl)cc45)C3)sc2c1 Clc1ccc2[nH]cc(C[*:1])c2c1 CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)N(C3)C[*:1])sc2c1
CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)N(CCc4c[nH]c5ccc(Cl)cc45)C3)sc2c1 CCO[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1
COc1ccc(O[C@@H](C)C(=O)Nc2ncccc2OC(F)F)cc1 FC(F)O[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)Nc1ncccc1[*:1]
COc1ccc(O[C@@H](C)C(=O)Nc2ncccc2OC(F)F)cc1 FC(F)[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)Nc1ncccc1O[*:1]
COc1ccc(O[C@@H](C)C(=O)Nc2ncccc2OC(F)F)cc1 COc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ncccc1OC(F)F
CCC[C@@]1(C)CCCN(C(=O)c2ccc([S@](=O)C(C)C)cc2)C1 CCC[*:1] CC(C)[S@@](=O)c1ccc(cc1)C(=O)N1CCC[C@](C)(C1)[*:1]
CCC[C@@]1(C)CCCN(C(=O)c2ccc([S@](=O)C(C)C)cc2)C1 CC(C)[S@@](=O)[*:1] CCC[C@@]1(C)CCCN(C1)C(=O)c1ccc(cc1)[*:1]
CCC[C@@]1(C)CCCN(C(=O)c2ccc([S@](=O)C(C)C)cc2)C1 CC(C)[*:1] CCC[C@@]1(C)CCCN(C1)C(=O)c1ccc(cc1)[S@](=O)[*:1]
CCCN1CCO[C@H](C(=O)c2ccc(OC)c(OC)c2)C1 CCC[*:1] COc1ccc(cc1OC)C(=O)[C@@H]1CN(CCO1)[*:1]
CC(C)COc1nc(N[C@@H]2CCCCC2(C)C)ccc1N CC(C)CO[*:1] CC1(C)CCCC[C@H]1Nc1ccc(N)c(n1)[*:1]
CC(C)COc1nc(N[C@@H]2CCCCC2(C)C)ccc1N CC(C)[*:1] CC1(C)CCCC[C@H]1Nc1ccc(N)c(n1)OC[*:1]
CC(C)COc1nc(N[C@@H]2CCCCC2(C)C)ccc1N CC(C)C[*:1] CC1(C)CCCC[C@H]1Nc1ccc(N)c(n1)O[*:1]
C/[NH+]=C(/NCCc1nc(C)no1)NCc1cccs1 Cc1noc(n1)[*:1] C/[NH+]=C(/NCC[*:1])NCc1cccs1
C/[NH+]=C(/NCCc1nc(C)no1)NCc1cccs1 c1csc(c1)C[*:1] C/[NH+]=C(/NCCc1nc(C)no1)N[*:1]
C/[NH+]=C(/NCCc1nc(C)no1)NCc1cccs1 c1csc(c1)[*:1] C/[NH+]=C(/NCCc1nc(C)no1)NC[*:1]
COc1ccccc1NC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 COc1ccccc1[*:1] C[NH+](C)CCn1c(=O)oc2ccc(cc21)NC(=O)N[*:1]
C[C@@H](C[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1 C1CC1[*:1] C[C@@H](C[NH2+][*:1])c1ccc(Cl)c(Cl)c1
Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)Nc2nncs2)c(C)c1 c1nnc(s1)[*:1] Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)N[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)Nc2nncs2)c(C)c1 O=C(Nc1nncs1)[*:1] Cc1cc(C)c(NC(=O)C[NH+](C)C[*:1])c(C)c1
COC(=O)c1cc2cc3n[nH]nc3cc2cc1C(=O)OC COC(=O)[*:1] COC(=O)c1cc2cc3n[nH]nc3cc2cc1[*:1]
Cc1ccc(Sc2ccc(NC(=O)NCC(=O)NC3CC3)cc2)cc1C Cc1ccc(cc1C)[*:1] O=C(CNC(=O)Nc1ccc(cc1)S[*:1])NC1CC1
Cc1ccc(Sc2ccc(NC(=O)NCC(=O)NC3CC3)cc2)cc1C C1CC1[*:1] Cc1ccc(cc1C)Sc1ccc(cc1)NC(=O)NCC(=O)N[*:1]
Cc1ccc(Sc2ccc(NC(=O)NCC(=O)NC3CC3)cc2)cc1C O=C(NC1CC1)[*:1] Cc1ccc(cc1C)Sc1ccc(cc1)NC(=O)NC[*:1]
Cc1ccc(Sc2ccc(NC(=O)NCC(=O)NC3CC3)cc2)cc1C O=C(C[*:1])NC1CC1 Cc1ccc(cc1C)Sc1ccc(cc1)NC(=O)N[*:1]
O=C(Nc1nc(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cs1)c1ccc(=O)[nH]c1 O=C(N[*:1])c1ccc(=O)[nH]c1 O=C(CCc1csc(n1)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
O=C(Nc1nc(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cs1)c1ccc(=O)[nH]c1 O=c1ccc(c[nH]1)[*:1] O=C(CCc1csc(n1)NC(=O)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
O=C(Nc1nc(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cs1)c1ccc(=O)[nH]c1 Clc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)CCC(=O)N1CCN(CC1)[*:1])c1ccc(=O)[nH]c1
CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(C)o2)s1 Cc1ccc(o1)[*:1] CC(=O)c1ccc(s1)C(=O)N[C@H](C)[*:1]
CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(C)o2)s1 CC(=O)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)c1ccc(s1)[*:1]
COc1ccccc1C[C@H]([NH3+])C(C)C CC(C)[*:1] COc1ccccc1C[C@H]([NH3+])[*:1]
COc1cccc2cc(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c(=O)oc12 O=C(N1CCCCC1)[*:1] COc1cccc2cc(C(=O)NCc3ccc(cc3)[*:1])c(=O)oc12
CC[C@H](NC(=O)NCc1nncn1CC)c1cc(F)ccc1F CCn1cnnc1[*:1] CC[C@H](NC(=O)NC[*:1])c1cc(F)ccc1F
COCc1ocnc1CBr COC[*:1] BrCc1ncoc1[*:1]
COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 COc1ccccc1C[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 COc1ccccc1[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC[*:1]
CCN(CC(=O)NCc1cccs1)C(=O)c1cnn(-c2ccccc2)n1 c1csc(c1)C[*:1] CCN(CC(=O)N[*:1])C(=O)c1cnn(n1)-c1ccccc1
CCN(CC(=O)NCc1cccs1)C(=O)c1cnn(-c2ccccc2)n1 c1csc(c1)[*:1] CCN(CC(=O)NC[*:1])C(=O)c1cnn(n1)-c1ccccc1
CCN(CC(=O)NCc1cccs1)C(=O)c1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCN(CC(=O)NCc1cccs1)C(=O)c1cnn(n1)[*:1]
O=C(OCc1cccc(F)c1)c1ccc(N2CCNC2=O)cc1 Fc1cccc(c1)[*:1] O=C(OC[*:1])c1ccc(cc1)N1CCNC1=O
O=C(OCc1cccc(F)c1)c1ccc(N2CCNC2=O)cc1 O=C1NCCN1[*:1] O=C(OCc1cccc(F)c1)c1ccc(cc1)[*:1]
O=C(CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1)Nc1nccs1 O=C(C[*:1])Nc1nccs1 O=C(Nc1nnc(S[*:1])s1)c1ccc2OCOc2c1
O=C(CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1)Nc1nccs1 c1csc(n1)[*:1] O=C(CSc1nnc(NC(=O)c2ccc3OCOc3c2)s1)N[*:1]
O=C(CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1)Nc1nccs1 O=C(Nc1nccs1)[*:1] O=C(Nc1nnc(SC[*:1])s1)c1ccc2OCOc2c1
O=C(CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1)Nc1nccs1 c1cc2OCOc2cc1[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)Nc1nccs1
Cc1ccc(NC(=O)c2ccc[nH]2)c(OCc2ccccc2)c1 c1c[nH]c(c1)[*:1] Cc1ccc(NC(=O)[*:1])c(c1)OCc1ccccc1
Cc1ccc(NC(=O)c2ccc[nH]2)c(OCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)c2ccc[nH]2)c(c1)OC[*:1]
Cc1ccc(NC(=O)c2ccc[nH]2)c(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)c2ccc[nH]2)c(c1)O[*:1]
O=C(c1ccc2c(c1)OCO2)N1CCN(C2CC2)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc2OCOc2c1)N1CCN(C[C@@H]1[*:1])C1CC1
O=C(c1ccc2c(c1)OCO2)N1CCN(C2CC2)C[C@H]1c1ccccc1 C1CC1[*:1] O=C(c1ccc2OCOc2c1)N1CCN(C[C@H]1c1ccccc1)[*:1]
Cc1csc([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)c1cccc(c1)OCc1ccccc1)[*:1]
Cc1csc([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)c1cccc(c1)OC[*:1]
Cc1csc([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)[C@H](C)NC(=O)c1cccc(c1)O[*:1]
Cc1csc([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)n1 c1ccc(cc1)CO[*:1] Cc1csc(n1)[C@H](C)NC(=O)c1cccc(c1)[*:1]
Fc1cccnc1C[NH2+]C1CCN(c2nccs2)CC1 c1csc(n1)[*:1] Fc1cccnc1C[NH2+]C1CCN(CC1)[*:1]
COC(=O)c1c([O-])nsc1SC COC(=O)[*:1] CSc1snc([O-])c1[*:1]
O=C(NC1CCCC1)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] O=C(NC1CCCC1)c1ccc(nc1)O[*:1]
O=C(NC1CCCC1)c1ccc(OCC(F)F)nc1 C1CCC(C1)[*:1] O=C(N[*:1])c1ccc(nc1)OCC(F)F
O=C(NC1CCCC1)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] O=C(NC1CCCC1)c1ccc(nc1)[*:1]
O=C(NC1CCCC1)c1ccc(OCC(F)F)nc1 FC(F)[*:1] O=C(NC1CCCC1)c1ccc(nc1)OC[*:1]
O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)N1CCCCC1 Fc1ccc(cc1)[*:1] O=C(Cn1nc2N(CCn2c(=O)c1=O)[*:1])N1CCCCC1
O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=c1c(=O)n2CCN(c3ccc(F)cc3)c2nn1C[*:1]
O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)N1CCCCC1 O=C(C[*:1])N1CCCCC1 O=c1c(=O)n2CCN(c3ccc(F)cc3)c2nn1[*:1]
Cc1csc(N[C@H](CO)C(C)C)n1 CC(C)[*:1] Cc1csc(n1)N[C@H](CO)[*:1]
C[C@H]1CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)Cc2ccc(Cl)cc2)[C@@H]1C Clc1ccc(cc1)C[*:1] C[C@H]1CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)[*:1])[C@@H]1C
C[C@H]1CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)Cc2ccc(Cl)cc2)[C@@H]1C Clc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)C[*:1])[C@@H]1C
CCNc1nc([C@H](C)OC)nc(C(C)C)c1I CO[C@@H](C)[*:1] CCNc1nc(nc(c1I)C(C)C)[*:1]
CCNc1nc([C@H](C)OC)nc(C(C)C)c1I CC(C)[*:1] CCNc1nc(nc(c1I)[*:1])[C@H](C)OC
CCNc1nc([C@H](C)OC)nc(C(C)C)c1I CCN[*:1] CO[C@@H](C)c1nc(c(I)c(n1)[*:1])C(C)C
O=C1CC[C@](CCC(=O)N2CCC(c3nc4ccccc4o3)CC2)(Cc2ccc3c(c2)OCO3)N1 c1cc2OCOc2cc1[*:1] O=C1CC[C@](CCC(=O)N2CCC(CC2)c2nc3ccccc3o2)(C[*:1])N1
O=C1CC[C@](CCC(=O)N2CCC(c3nc4ccccc4o3)CC2)(Cc2ccc3c(c2)OCO3)N1 c1ccc2oc(nc2c1)[*:1] O=C1CC[C@](CCC(=O)N2CCC(CC2)[*:1])(Cc2ccc3OCOc3c2)N1
O=C1CC[C@](CCC(=O)N2CCC(c3nc4ccccc4o3)CC2)(Cc2ccc3c(c2)OCO3)N1 c1cc2OCOc2cc1C[*:1] O=C1CC[C@](CCC(=O)N2CCC(CC2)c2nc3ccccc3o2)(N1)[*:1]
COc1ccncc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccncc1[*:1]
Cc1nnc(CS(=O)(=O)c2ccc3ccccc3n2)n1C Cc1nnc(n1C)[*:1] O=S(=O)(C[*:1])c1ccc2ccccc2n1
COc1cccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)c1 O=C(c1ccccc1)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)O[C@H](C)[*:1]
COc1cccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)O[C@H](C)C(=O)[*:1]
COc1cccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)c1 COc1cccc(c1)[*:1] C[C@@H](OC(=O)[C@@H]1CC(=O)N(C1)[*:1])C(=O)c1ccccc1
C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccc(S(N)(=O)=O)cc1 Fc1cccc(c1)[*:1] C[C@H]([NH2+]CCC[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccc(cc1)[*:1]
C1C[NH+]=C(SC[C@H]2CO2)N1 C1O[C@H]1[*:1] C1C[NH+]=C(N1)SC[*:1]
CCOC(OCC)[C@H]([NH3+])Cc1cccc(F)c1F CCO[*:1] CCOC([C@H]([NH3+])Cc1cccc(F)c1F)[*:1]
CCOC(=O)C[C@@H]([NH3+])c1ccc2c(c1)OCO2 CCOC(=O)[*:1] [NH3+][C@H](C[*:1])c1ccc2OCOc2c1
Cc1ccccc1N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 Cc1ccccc1[*:1] O=S(=O)(N[C@@H]1CCCC[C@H]1N[*:1])c1ccccc1
Cc1ccccc1N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1N[C@@H]1CCCC[C@H]1NS(=O)(=O)[*:1]
Cc1ccccc1N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 Cc1ccccc1N[*:1] O=S(=O)(N[C@@H]1CCCC[C@H]1[*:1])c1ccccc1
O=C1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C1C[C@@H](CN1[*:1])c1nc2ccccc2n1CCOc1ccc(Cl)cc1
O=C1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccc2c(c1)OCCO2 Clc1ccc(cc1)O[*:1] O=C1C[C@@H](CN1c1ccc2OCCOc2c1)c1nc2ccccc2n1CC[*:1]
O=C1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccc2c(c1)OCCO2 Clc1ccc(cc1)[*:1] O=C1C[C@@H](CN1c1ccc2OCCOc2c1)c1nc2ccccc2n1CCO[*:1]
O=C1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccc2c(c1)OCCO2 Clc1ccc(cc1)OC[*:1] O=C1C[C@@H](CN1c1ccc2OCCOc2c1)c1nc2ccccc2n1C[*:1]
O=C1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccc2c(c1)OCCO2 Clc1ccc(cc1)OCC[*:1] O=C1C[C@@H](CN1c1ccc2OCCOc2c1)c1nc2ccccc2n1[*:1]
CNC(=O)[C@@H](C)n1c2ccccc2c2cn[nH]c(=O)c21 CNC(=O)[C@@H](C)[*:1] O=c1[nH]ncc2c3ccccc3n(c12)[*:1]
CNC(=O)[C@@H](C)n1c2ccccc2c2cn[nH]c(=O)c21 CNC(=O)[*:1] C[C@@H](n1c2ccccc2c2cn[nH]c(=O)c21)[*:1]
C=CCn1cc(-c2cc(-c3ccc(O)cc3F)nc(N)c2C#N)cn1 C=CC[*:1] N#Cc1c(cc(nc1N)-c1ccc(O)cc1F)-c1cnn(c1)[*:1]
C=CCn1cc(-c2cc(-c3ccc(O)cc3F)nc(N)c2C#N)cn1 Oc1ccc(c(F)c1)[*:1] C=CCn1cc(cn1)-c1cc(nc(N)c1C#N)[*:1]
C=CCn1cc(-c2cc(-c3ccc(O)cc3F)nc(N)c2C#N)cn1 C=CCn1cc(cn1)[*:1] N#Cc1c(cc(nc1N)-c1ccc(O)cc1F)[*:1]
O=C(c1cc(Cl)cc(Cl)c1)c1cccc(CN2CCOCC2)c1 C1CN(CCO1)[*:1] O=C(c1cc(Cl)cc(Cl)c1)c1cccc(c1)C[*:1]
O=C(c1cc(Cl)cc(Cl)c1)c1cccc(CN2CCOCC2)c1 C1CN(CCO1)C[*:1] O=C(c1cc(Cl)cc(Cl)c1)c1cccc(c1)[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 Clc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
C[C@@H](OC(=O)COc1ccc2ccccc2c1)C(=O)Nc1ncc(Cl)cc1Cl Clc1cnc(c(Cl)c1)[*:1] C[C@@H](OC(=O)COc1ccc2ccccc2c1)C(=O)N[*:1]
CC[C@@H](C)[C@@H](O)CNC(=O)c1cnc(Oc2ccccc2)cn1 CC[C@@H](C)[*:1] O=C(NC[C@H](O)[*:1])c1cnc(cn1)Oc1ccccc1
CC[C@@H](C)[C@@H](O)CNC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](O)CNC(=O)c1cnc(cn1)O[*:1]
CC[C@@H](C)[C@@H](O)CNC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] CC[C@@H](C)[C@@H](O)CNC(=O)c1cnc(cn1)[*:1]
CC(=O)Nc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1 CC(=O)N[*:1] O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)N[*:1]
CC(=O)Nc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)Cn1c(=O)nc(c2ccccc21)[*:1]
COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 CC(=O)[*:1] COC(=O)c1sccc1S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 CC(=O)c1ccc(cc1)[*:1] COC(=O)c1sccc1S(=O)(=O)N1CCN(CC1)[*:1]
COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 COC(=O)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccsc1[*:1]
COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 COC(=O)c1sccc1[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1nnc(s1)[C@@H]1CCCO1
Cc1cccc(N2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)c1C c1ncn(n1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1cccc(N2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)c1C O=[N+]([O-])[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)c1ccc(c(c1)[*:1])-n1cncn1
Cc1cccc(N2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])-n1cncn1)N1CCN(CC1)[*:1]
CCC1(CNC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CCC1 CCC1(CCC1)C[*:1] O=C(N[C@H]1CCN(C1=O)c1c(F)cccc1F)N[*:1]
CCC1(CNC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CCC1 Fc1cccc(F)c1[*:1] CCC1(CCC1)CNC(=O)N[C@H]1CCN(C1=O)[*:1]
CCC1(CNC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])N[C@H]1CCN(C1=O)c1c(F)cccc1F
CC[NH2+][C@H](Cc1cccc(O)c1)c1cscc1C Cc1cscc1[*:1] CC[NH2+][C@H](Cc1cccc(O)c1)[*:1]
Cc1nc2ccc(NC(=O)N(C)C[C@@H]3CCOC3)cc2o1 C1C[C@H](CO1)C[*:1] Cc1nc2ccc(cc2o1)NC(=O)N(C)[*:1]
Cc1nc2ccc(NC(=O)N(C)C[C@@H]3CCOC3)cc2o1 C1C[C@H](CO1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)N(C)C[*:1]
N#Cc1cnn(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)c1N N#Cc1cnn(c1N)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1C[C@@H]1c1ccccc1Cl
N#Cc1cnn(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)cc2)c1N Clc1ccccc1[*:1] N#Cc1cnn(-c2ccc(cc2)NC(=O)[C@H]2C[C@H]2[*:1])c1N
COCCN1[C@H](C)C[NH+](Cc2ccccc2C(=O)OC)C[C@H]1C COC[*:1] COC(=O)c1ccccc1C[NH+]1C[C@@H](C)N(C[*:1])[C@H](C)C1
COCCN1[C@H](C)C[NH+](Cc2ccccc2C(=O)OC)C[C@H]1C COCC[*:1] COC(=O)c1ccccc1C[NH+]1C[C@@H](C)N([C@H](C)C1)[*:1]
COCCN1[C@H](C)C[NH+](Cc2ccccc2C(=O)OC)C[C@H]1C COC(=O)[*:1] COCCN1[C@H](C)C[NH+](Cc2ccccc2[*:1])C[C@H]1C
Cc1ccc(NC(=O)C[C@@H]2CSc3nc(C(C)(C)C)cc(=O)n32)cc1Cl CC(C)(C)[*:1] Cc1ccc(cc1Cl)NC(=O)C[C@@H]1CSc2nc(cc(=O)n21)[*:1]
Cc1ccc(NC(=O)C[C@@H]2CSc3nc(C(C)(C)C)cc(=O)n32)cc1Cl Cc1ccc(cc1Cl)[*:1] CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N[*:1]
Cn1cc(CCC(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1 Cn1cc(cn1)CC[*:1] O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
Cn1cc(CCC(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1
Cn1cc(CCC(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1 C1CC1[*:1] Cn1cc(cn1)CCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
Cn1cc(CCC(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1 Cn1cc(cn1)C[*:1] O=C(C[*:1])N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1
COc1ccc2c(CC(=O)Nc3[nH]nc(C4CC4)c3C)coc2c1 C1CC1[*:1] COc1ccc2c(coc2c1)CC(=O)Nc1[nH]nc(c1C)[*:1]
O=C(Nc1nc(-c2cccc3ccccc23)n[n-]1)c1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] O=C(Nc1nc(n[n-]1)-c1cccc2ccccc12)c1ccc(nc1)[*:1]
O=C1CS(=O)(=O)[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1CS(=O)(=O)[C@@H](N1c1ccc(Cl)cc1)[*:1]
O=C1CS(=O)(=O)[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1CS(=O)(=O)[C@@H](c2ccc(Cl)cc2)N1[*:1]
O=C(CCn1cncn1)N1CCO[C@H](c2ccccc2F)C1 c1ncn(n1)[*:1] O=C(CC[*:1])N1CCO[C@@H](C1)c1ccccc1F
O=C(CCn1cncn1)N1CCO[C@H](c2ccccc2F)C1 c1ncn(C[*:1])n1 O=C(C[*:1])N1CCO[C@@H](C1)c1ccccc1F
O=C(CCn1cncn1)N1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(CCn1cncn1)N1CCO[C@H](C1)[*:1]
O=C(CCn1cncn1)N1CCO[C@H](c2ccccc2F)C1 c1ncn(CC[*:1])n1 O=C(N1CCO[C@@H](C1)c1ccccc1F)[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)/N=c1\[nH]ccs1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])NC(=S)/N=c1\[nH]ccs1
COc1ccc(OC)c(C(=O)Nc2cccc(Cl)c2C(N)=O)c1 NC(=O)[*:1] COc1ccc(OC)c(c1)C(=O)Nc1cccc(Cl)c1[*:1]
CCn1nc(SCC(=O)NCc2ccccc2)n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C O=C(NCc1ccccc1)[*:1] CCn1nc(SC[*:1])n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C
CCn1nc(SCC(=O)NCc2ccccc2)n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C O=C(C[*:1])NCc1ccccc1 CCn1nc(S[*:1])n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C
CCn1nc(SCC(=O)NCc2ccccc2)n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C c1ccc(cc1)C[*:1] CCn1nc(SCC(=O)N[*:1])n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C
CCn1nc(SCC(=O)NCc2ccccc2)n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C c1ccc(cc1)[*:1] CCn1nc(SCC(=O)NC[*:1])n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C
C[C@@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1cc(F)cc(F)c1 c1cnc(cn1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)[*:1])c1cc(F)cc(F)c1
C[C@@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)c1cnccn1)[*:1]
Cn1c(=O)c2c(nc(N3CCN(CC(N)=O)CC3)n2CCCc2ccccc2)n(C)c1=O NC(=O)CN1CCN(CC1)[*:1] Cn1c(=O)c2c(nc(n2CCCc2ccccc2)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCN(CC(N)=O)CC3)n2CCCc2ccccc2)n(C)c1=O NC(=O)[*:1] Cn1c(=O)c2c(nc(N3CCN(CC3)C[*:1])n2CCCc2ccccc2)n(C)c1=O
Cn1c(=O)c2c(nc(N3CCN(CC(N)=O)CC3)n2CCCc2ccccc2)n(C)c1=O NC(=O)C[*:1] Cn1c(=O)c2c(nc(N3CCN(CC3)[*:1])n2CCCc2ccccc2)n(C)c1=O
Cn1c(=O)c2c(nc(N3CCN(CC(N)=O)CC3)n2CCCc2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(N3CCN(CC3)CC(N)=O)n2CCC[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCN(CC(N)=O)CC3)n2CCCc2ccccc2)n(C)c1=O c1ccc(cc1)CCC[*:1] Cn1c(=O)c2c(nc(N3CCN(CC3)CC(N)=O)n2[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCN(CC(N)=O)CC3)n2CCCc2ccccc2)n(C)c1=O c1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(N3CCN(CC3)CC(N)=O)n2CC[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCN(CC(N)=O)CC3)n2CCCc2ccccc2)n(C)c1=O c1ccc(cc1)CC[*:1] Cn1c(=O)c2c(nc(N3CCN(CC3)CC(N)=O)n2C[*:1])n(C)c1=O
COc1ccc(C2(C(=O)OCC3CC3)CCCC2)cc1 C1CC1C[*:1] COc1ccc(cc1)C1(CCCC1)C(=O)O[*:1]
COc1ccc(C2(C(=O)OCC3CC3)CCCC2)cc1 C1CC1[*:1] COc1ccc(cc1)C1(CCCC1)C(=O)OC[*:1]
CC(=O)N[C@H](CC(=O)N(C)C[C@@H]1OCCc2ccccc21)c1ccc(F)cc1 CC(=O)N[*:1] CN(C[C@@H]1OCCc2ccccc21)C(=O)C[C@H](c1ccc(F)cc1)[*:1]
CC(=O)N[C@H](CC(=O)N(C)C[C@@H]1OCCc2ccccc21)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N(C)C[C@@H]1OCCc2ccccc21)[*:1]
Cc1nc([C@H]([NH2+]CCO)C2CC2)sc1C C1CC1[*:1] Cc1nc(sc1C)[C@H]([NH2+]CCO)[*:1]
Cc1nc([C@H]([NH2+]CCO)C2CC2)sc1C OCC[*:1] Cc1nc(sc1C)[C@H]([NH2+][*:1])C1CC1
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(F)cc1F c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NNC(=O)c1ccc(F)cc1F)[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cc1nc(sc1C(=O)NNC(=O)[*:1])-c1ccccc1
COC(=O)/C([O-])=C1\C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(F)cc1F c1ccc(cc1)[*:1] COC(=O)/C([O-])=C1\C(=NC(=S)N[C@@H]1c1ccc(F)cc1F)[*:1]
COC(=O)/C([O-])=C1\C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)/C([O-])=C1\C(=NC(=S)N[C@H]1[*:1])c1ccccc1
COC(=O)/C([O-])=C1\C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(F)cc1F COC(=O)[*:1] [O-]/C(=C1/C(=NC(=S)N[C@@H]1c1ccc(F)cc1F)c1ccccc1)[*:1]
Cc1ccc(Br)cc1S(=O)(=O)/N=C(\[O-])CCc1ccc2c(c1)OCO2 Cc1ccc(Br)cc1[*:1] O=S(=O)(/N=C(\[O-])CCc1ccc2OCOc2c1)[*:1]
O=c1c2ccsc2ncn1[C@@H](CO)c1ccccc1 c1ccc(cc1)[*:1] O=c1c2ccsc2ncn1[C@@H](CO)[*:1]
BrCCC[C@H]1Cc2ccccc2S1 BrCC[*:1] c1ccc2S[C@H](Cc2c1)C[*:1]
BrCCC[C@H]1Cc2ccccc2S1 BrCCC[*:1] c1ccc2S[C@H](Cc2c1)[*:1]
CCC[NH2+][C@H](c1nc[nH]n1)[C@@H]1CCO[C@]2(CCSC2)C1 c1nc(n[nH]1)[*:1] CCC[NH2+][C@H]([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCC[NH2+][C@H](c1nc[nH]n1)[C@@H]1CCO[C@]2(CCSC2)C1 CCC[*:1] c1nc(n[nH]1)[C@@H]([NH2+][*:1])[C@@H]1CCO[C@]2(CCSC2)C1
CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O CC[C@@H](C)[*:1] C[C@H](C[*:1])NC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O
CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O CC[C@@H](C)C[*:1] C[C@H](C(=O)N[C@H](C)[*:1])N1C(=O)[C@H]2CCCC[C@H]2C1=O
CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O CC[C@@H](C)C[C@@H](C)[*:1] C[C@H](C(=O)N[*:1])N1C(=O)[C@H]2CCCC[C@H]2C1=O
CCNC(=O)c1cc(Cl)ccc1NC(=O)c1scnc1C1CC1 C1CC1[*:1] CCNC(=O)c1cc(Cl)ccc1NC(=O)c1scnc1[*:1]
CCNC(=O)c1cc(Cl)ccc1NC(=O)c1scnc1C1CC1 CCNC(=O)[*:1] O=C(Nc1ccc(Cl)cc1[*:1])c1scnc1C1CC1
Cc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NCc1cccc(c1)C[NH+](C)C
Cc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1C(=O)NC(C)C CC(C)[*:1] Cc1ccc(cc1C(=O)N[*:1])NC(=O)NCc1cccc(c1)C[NH+](C)C
CCc1ccc(/C=C/C(=O)Nc2ccnc3c(F)cccc23)cc1 CCc1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ccnc2c(F)cccc12
CC(C)OCCC(=O)N[C@H](C)Cc1c(Cl)cccc1Cl CC(C)O[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CC[*:1]
CC(C)OCCC(=O)N[C@H](C)Cc1c(Cl)cccc1Cl CC(C)[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CCO[*:1]
CC(C)OCCC(=O)N[C@H](C)Cc1c(Cl)cccc1Cl CC(C)OCC[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[*:1]
CC(C)OCCC(=O)N[C@H](C)Cc1c(Cl)cccc1Cl CC(C)OC[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C[*:1]
Cc1nc(N2CCN(c3ccccc3)CC2)sc1C c1ccc(cc1)[*:1] Cc1nc(sc1C)N1CCN(CC1)[*:1]
C=CCSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] C=CCSc1nnc(n1C1CC1)[*:1]
C=CCSc1nnc(C2CC2)n1C1CC1 C=CC[*:1] C1CC1c1nnc(S[*:1])n1C1CC1
C=CCSc1nnc(C2CC2)n1C1CC1 C=CCS[*:1] C1CC1c1nnc(n1C1CC1)[*:1]
C=CCSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] C=CCSc1nnc(C2CC2)n1[*:1]
CCC(CC)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])O1 CCC(CC)[*:1] O=C(NC[C@H]1CC[C@@H](O1)C(=O)[O-])N[*:1]
CCC(CC)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] CCC(CC)NC(=O)NC[C@H]1CC[C@H](O1)[*:1]
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@H]2c2cccnc2)nc1C c1cc(ccn1)[*:1] CCOC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccnc1
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@H]2c2cccnc2)nc1C c1cncc(c1)[*:1] CCOC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@@H]1[*:1]
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@H]2c2cccnc2)nc1C O=C(c1ccncc1)[*:1] CCOC(=O)c1sc(nc1C)N1C(=O)C([O-])=C([C@H]1c1cccnc1)[*:1]
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@H]2c2cccnc2)nc1C CCOC(=O)[*:1] Cc1nc(sc1[*:1])N1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@H]1c1cccnc1
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1O c1ccc(cc1)[*:1] CCOc1cc(/C=C2/SC(=O)N(CC(=O)N[*:1])C2=O)ccc1O
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1O O=C(Nc1ccccc1)[*:1] CCOc1cc(/C=C2/SC(=O)N(C[*:1])C2=O)ccc1O
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1O CCO[*:1] O=C(CN1C(=O)S/C(=C/c2ccc(O)c(c2)[*:1])C1=O)Nc1ccccc1
O=C(COc1ccccc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=C(N1CCC(CC1)NS(=O)(=O)c1ccccc1)[*:1]
O=C(COc1ccccc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC(CC1)NS(=O)(=O)c1ccccc1
O=C(COc1ccccc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccccc1)N1CCC(CC1)NS(=O)(=O)[*:1]
O=C(COc1ccccc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC(CC1)NS(=O)(=O)c1ccccc1
CCOCCNC(=O)CS[C@@H]1CCc2c(F)cccc21 CCOCC[*:1] O=C(CS[C@@H]1CCc2c(F)cccc21)N[*:1]
CCOCCNC(=O)CS[C@@H]1CCc2c(F)cccc21 CCO[*:1] O=C(CS[C@@H]1CCc2c(F)cccc21)NCC[*:1]
CCOCCNC(=O)CS[C@@H]1CCc2c(F)cccc21 CCOC[*:1] O=C(CS[C@@H]1CCc2c(F)cccc21)NC[*:1]
CCOc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(SC)n1 O=C([O-])[*:1] CCOc1cc(nc(n1)SC)N1CCC[C@@H](C1)[*:1]
CCOc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(SC)n1 CCO[*:1] CSc1nc(cc(n1)[*:1])N1CCC[C@H](C1)C(=O)[O-]
C/[NH+]=C(/NC[C@H](OC)c1cccc(Cl)c1)N1CC[C@H]([N+]2=CCCC2)C1 Clc1cccc(c1)[*:1] C/[NH+]=C(/NC[C@H](OC)[*:1])N1CC[C@@H](C1)[N+]1=CCCC1
Cn1nccc1CNC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 Cn1nccc1C[*:1] CC(C)(CNC(=O)N[*:1])[NH+]1CCc2ccccc2C1
Cn1nccc1CNC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 Cn1nccc1[*:1] CC(C)(CNC(=O)NC[*:1])[NH+]1CCc2ccccc2C1
CCn1nc(C)c(CNC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)c1C C1CCC(C1)[*:1] CCn1nc(C)c(CNC(=O)[C@@H]2CCCN(C2)C(=O)N[*:1])c1C
CCn1nc(C)c(CNC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)c1C CCn1nc(C)c(c1C)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)NC1CCCC1
CC(C)[C@H]1CCCN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)CC1 CC(C)[*:1] O=C(CCC(=O)N1CCC[C@@H](CC1)[*:1])c1ccc2OCCOc2c1
CN(C)c1cc(CNC(=O)c2ccoc2)c2ccccc2[nH+]1 CN(C)[*:1] O=C(NCc1cc([nH+]c2ccccc12)[*:1])c1ccoc1
CN(C)c1cc(CNC(=O)c2ccoc2)c2ccccc2[nH+]1 c1cc(co1)[*:1] CN(C)c1cc(CNC(=O)[*:1])c2ccccc2[nH+]1
O=c1cc([O-])c2c(=O)n(N(c3ccccc3)c3ccccc3)c3c(c2o1)CCCC3 c1ccc(cc1)[*:1] O=c1cc([O-])c2c(=O)n(c3CCCCc3c2o1)N(c1ccccc1)[*:1]
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)cs2)C1=O Brc1csc(c1)[*:1] CC[C@@H](C)N1C(=O)SC(=C[*:1])C1=O
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)cs2)C1=O CC[C@@H](C)[*:1] O=C1S/C(=C/c2cc(Br)cs2)C(=O)N1[*:1]
COCCn1c(S[C@@H]2CCCCCC2=O)nc2ccc(Br)cc2c1=O COCC[*:1] O=C1CCCCC[C@H]1Sc1nc2ccc(Br)cc2c(=O)n1[*:1]
COCCn1c(S[C@@H]2CCCCCC2=O)nc2ccc(Br)cc2c1=O COC[*:1] O=C1CCCCC[C@H]1Sc1nc2ccc(Br)cc2c(=O)n1C[*:1]
C=C(C)C[NH+]1CCC(NC(=O)NCc2cn3c([nH+]2)CCCC3)CC1 C=C(C)C[*:1] O=C(NCc1cn2CCCCc2[nH+]1)NC1CC[NH+](CC1)[*:1]
C=C(C)C[NH+]1CCC(NC(=O)NCc2cn3c([nH+]2)CCCC3)CC1 C=C(C)[*:1] O=C(NCc1cn2CCCCc2[nH+]1)NC1CC[NH+](CC1)C[*:1]
O=C(CSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1)Nc1ccc(F)cc1 FC(F)(F)[*:1] O=C(CSc1nnc(NC(=O)c2cccc(c2)[*:1])s1)Nc1ccc(F)cc1
O=C(CSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1)Nc1ccc(F)cc1 FC(F)(F)c1cccc(c1)[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)Nc1ccc(F)cc1
O=C(CSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(NC(=O)c2cccc(c2)C(F)(F)F)s1)N[*:1]
O=C(CSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=C(Nc1nnc(SC[*:1])s1)c1cccc(c1)C(F)(F)F
C[NH+](CC(=O)N1CCC(C(N)=O)CC1)Cc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[NH+](CC(=O)N1CCC(CC1)C(N)=O)Cc1ccc(cc1)[*:1]
C[NH+](CC(=O)N1CCC(C(N)=O)CC1)Cc1ccc(C(C)(C)C)cc1 NC(=O)[*:1] C[NH+](CC(=O)N1CCC(CC1)[*:1])Cc1ccc(cc1)C(C)(C)C
CC[NH2+]C[C@@H](c1ccccc1C)[C@@H](C)CC CC[C@H](C)[*:1] CC[NH2+]C[C@@H](c1ccccc1C)[*:1]
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)C1 Clc1ccc(Br)cc1[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl CCOC(=O)[*:1] CCC1NC2CCCC(=O)C=2[C@@H](C=1[*:1])c1ccccc1Cl
CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] CCOC(=O)C1=C(CC)NC2CCCC(=O)C=2[C@H]1[*:1]
CCOCc1ccc(NC(=O)[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CCOCc1ccc(cc1)NC(=O)[*:1]
CCOCc1ccc(NC(=O)[C@@H]2CCCO2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@@H]1CCCO1
CCOCc1ccc(NC(=O)[C@@H]2CCCO2)cc1 CCOC[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCCO1
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)NC(=O)[*:1] Cc1nc2nc(nn2c(C)c1C[*:1])C(F)(F)F
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@H](C)C(C)C FC(F)(F)[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)N[C@H](C)C(C)C)[*:1]
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)N[*:1])C(F)(F)F
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@H](C)C(C)C CC(C)[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)N[C@H](C)[*:1])C(F)(F)F
C/[NH+]=C(\NCC(C)(C)SC)N[C@H](C)c1ccccc1C CSC(C)(C)C[*:1] C/[NH+]=C(/N[C@H](C)c1ccccc1C)N[*:1]
C/[NH+]=C(\NCC(C)(C)SC)N[C@H](C)c1ccccc1C CSC(C)(C)[*:1] C/[NH+]=C(\NC[*:1])N[C@H](C)c1ccccc1C
CCCC[C@H](C(=O)OC)[C@@]1(O)CS[C@@H](C)C1 CCC[*:1] COC(=O)[C@@H](C[*:1])[C@@]1(O)CS[C@@H](C)C1
CCCC[C@H](C(=O)OC)[C@@]1(O)CS[C@@H](C)C1 COC(=O)[*:1] CCCC[C@H]([C@@]1(O)CS[C@@H](C)C1)[*:1]
CCCC[C@H](C(=O)OC)[C@@]1(O)CS[C@@H](C)C1 CCCC[*:1] COC(=O)[C@H]([C@@]1(O)CS[C@@H](C)C1)[*:1]
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NNC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NNC(=O)N[*:1]
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NNC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])NNC(=O)Nc1ccccc1
Cc1ccc2cccc(C(=O)N(C)C[C@@H](O)CN3CCOCC3)c2n1 C1CN(CCO1)[*:1] Cc1ccc2cccc(C(=O)N(C)C[C@@H](O)C[*:1])c2n1
Cc1ccc2cccc(C(=O)N(C)C[C@@H](O)CN3CCOCC3)c2n1 C1CN(CCO1)C[*:1] Cc1ccc2cccc(C(=O)N(C)C[C@@H](O)[*:1])c2n1
C[C@H](NC(=O)Cn1nc([O-])ccc1=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)Cn1nc([O-])ccc1=O)[*:1]
CCOc1ccc([N-]S(=O)(=O)c2cc(C3=NN=C(C(F)(F)F)C3)sc2C)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)[N-]S(=O)(=O)c1cc(sc1C)C1CC(=NN=1)[*:1]
CCOc1ccc([N-]S(=O)(=O)c2cc(C3=NN=C(C(F)(F)F)C3)sc2C)cc1 CCOc1ccc(cc1)[*:1] Cc1sc(cc1S(=O)(=O)[N-][*:1])C1CC(=NN=1)C(F)(F)F
CCOc1ccc([N-]S(=O)(=O)c2cc(C3=NN=C(C(F)(F)F)C3)sc2C)cc1 CCO[*:1] Cc1sc(cc1S(=O)(=O)[N-]c1ccc(cc1)[*:1])C1CC(=NN=1)C(F)(F)F
Cc1nc([C@@]2(C)CCCO2)nc(C)c1C[NH2+]C(C)(C)C CC(C)(C)[*:1] Cc1nc(nc(C)c1C[NH2+][*:1])[C@@]1(C)CCCO1
Cc1nc([C@@]2(C)CCCO2)nc(C)c1C[NH2+]C(C)(C)C CC(C)(C)[NH2+]C[*:1] Cc1nc(nc(C)c1[*:1])[C@@]1(C)CCCO1
Cc1nc([C@@]2(C)CCCO2)nc(C)c1C[NH2+]C(C)(C)C C[C@]1(CCCO1)[*:1] Cc1nc(nc(C)c1C[NH2+]C(C)(C)C)[*:1]
Fc1cccc(Cl)c1Cn1cc(NC(=S)NC2CCCC2)cn1 C1CCC(C1)[*:1] Fc1cccc(Cl)c1Cn1cc(cn1)NC(=S)N[*:1]
Cc1ccc(F)c(S(=O)(=O)N[C@H](C(=O)N2CCCC2)c2ccccc2)c1 O=C(N1CCCC1)[*:1] Cc1ccc(F)c(c1)S(=O)(=O)N[C@H](c1ccccc1)[*:1]
Cc1ccc(F)c(S(=O)(=O)N[C@H](C(=O)N2CCCC2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(F)c(c1)S(=O)(=O)N[C@H](C(=O)N1CCCC1)[*:1]
Cc1ccc(F)c(S(=O)(=O)N[C@H](C(=O)N2CCCC2)c2ccccc2)c1 Cc1ccc(F)c(c1)[*:1] O=C([C@@H](NS(=O)(=O)[*:1])c1ccccc1)N1CCCC1
CC(C)Oc1cccnc1C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O CC(C)[*:1] C[C@H]1C[C@H](NC(=O)c2ncccc2O[*:1])C(=O)N1c1ccccc1
CC(C)Oc1cccnc1C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)Oc1cccnc1C(=O)N[C@H]1C[C@H](C)N(C1=O)[*:1]
CC(C)Oc1cccnc1C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O CC(C)O[*:1] C[C@H]1C[C@H](NC(=O)c2ncccc2[*:1])C(=O)N1c1ccccc1
Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(=O)[nH]c1ccccc21 Cc1ccccc1[*:1] N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1[*:1]
Cc1ccccc1OCC(=O)O[C@H](C)C[NH+]1CCOCC1 Cc1ccccc1[*:1] C[C@H](C[NH+]1CCOCC1)OC(=O)CO[*:1]
Cc1ccccc1C(=O)NCCC(=O)NC[C@]1(O)CCCc2ccccc21 Cc1ccccc1[*:1] O=C(CCNC(=O)[*:1])NC[C@]1(O)CCCc2ccccc21
O=C(c1ncoc1-c1ccco1)N1CCN(Cc2cc(=O)n3ccsc3[nH+]2)CC1 c1coc(c1)[*:1] O=C(c1ncoc1[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2[nH+]1
O=C(Nc1nc2c(s1)CN(S(=O)(=O)CCN1C(=O)CCCC1=O)CC2)C1CC1 O=C(N[*:1])C1CC1 O=C1CCCC(=O)N1CCS(=O)(=O)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)CCN1C(=O)CCCC1=O)CC2)C1CC1 C1CC1[*:1] O=C1CCCC(=O)N1CCS(=O)(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
O=C(Nc1nc2c(s1)CN(S(=O)(=O)CCN1C(=O)CCCC1=O)CC2)C1CC1 O=C1CCCC(=O)N1C[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)C[*:1])C1CC1
O=C(Nc1nc2c(s1)CN(S(=O)(=O)CCN1C(=O)CCCC1=O)CC2)C1CC1 O=C1CCCC(=O)N1[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)CC[*:1])C1CC1
COc1c(N)cc(C)cc1C(N)=O NC(=O)[*:1] COc1c(N)cc(C)cc1[*:1]
Cc1cc(NC(=O)N(C)Cc2cc(C)on2)c2ncccc2c1 Cc1cc(C[*:1])no1 Cc1cc(NC(=O)N(C)[*:1])c2ncccc2c1
Cc1cc(NC(=O)N(C)Cc2cc(C)on2)c2ncccc2c1 Cc1cc(no1)[*:1] Cc1cc(NC(=O)N(C)C[*:1])c2ncccc2c1
O=C(CCn1ccc2ccc(F)cc21)Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] O=C(CCn1ccc2ccc(F)cc21)Nc1nc(cs1)[*:1]
CN(C)C(=O)COc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 CN(C)C(=O)[*:1] C[C@]1(CC1(Cl)Cl)C(=O)Nc1ccc(cc1)OC[*:1]
CN(C)C(=O)COc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 CN(C)C(=O)C[*:1] C[C@]1(CC1(Cl)Cl)C(=O)Nc1ccc(cc1)O[*:1]
CN(C)C(=O)COc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 CN(C)C(=O)CO[*:1] C[C@]1(CC1(Cl)Cl)C(=O)Nc1ccc(cc1)[*:1]
CC1(C)C[C@H]2C[C@](C)(CN2C(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] CC1(C)C[C@H]2C[C@](C)(CN2C(=O)C[*:1])C1
N#C/C(=C/c1c(N2CCCCCC2)nc2ccccn2c1=O)C(N)=O C1CCCN(CC1)[*:1] N#C/C(=C/c1c(nc2ccccn2c1=O)[*:1])C(N)=O
N#C/C(=C/c1c(N2CCCCCC2)nc2ccccn2c1=O)C(N)=O NC(=O)[*:1] N#CC(=Cc1c(nc2ccccn2c1=O)N1CCCCCC1)[*:1]
N#C/C(=C/c1c(N2CCCCCC2)nc2ccccn2c1=O)C(N)=O N#CC(=C[*:1])C(N)=O O=c1c(c(nc2ccccn12)N1CCCCCC1)[*:1]
Cc1c(-c2ccncc2)n[nH]c1NC(=O)CCSc1ccccc1 c1ccc(cc1)SC[*:1] Cc1c(n[nH]c1NC(=O)C[*:1])-c1ccncc1
Cc1c(-c2ccncc2)n[nH]c1NC(=O)CCSc1ccccc1 c1cc(ccn1)[*:1] Cc1c(n[nH]c1NC(=O)CCSc1ccccc1)[*:1]
Cc1c(-c2ccncc2)n[nH]c1NC(=O)CCSc1ccccc1 c1ccc(cc1)S[*:1] Cc1c(n[nH]c1NC(=O)CC[*:1])-c1ccncc1
Cc1c(-c2ccncc2)n[nH]c1NC(=O)CCSc1ccccc1 c1ccc(cc1)[*:1] Cc1c(n[nH]c1NC(=O)CCS[*:1])-c1ccncc1
C[C@H]1COC[C@H](C)N1C(=O)CNC(=O)c1ccccn1 c1ccc(nc1)[*:1] C[C@H]1COC[C@H](C)N1C(=O)CNC(=O)[*:1]
O=C(Nc1nncs1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] O=C(Nc1nncs1)c1ccc(cc1)O[*:1]
O=C(Nc1nncs1)c1ccc(OCc2cccnc2)cc1 c1nnc(s1)[*:1] O=C(N[*:1])c1ccc(cc1)OCc1cccnc1
O=C(Nc1nncs1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] O=C(Nc1nncs1)c1ccc(cc1)OC[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2N2CCc3sccc3C2)CC1 CC(C)(C)[*:1] O=C(Nc1ccccc1N1CCc2sccc2C1)C1CCN(CC1)C(=O)[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2N2CCc3sccc3C2)CC1 c1cc2CN(CCc2s1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)Nc1ccccc1[*:1]
Cc1cc(C(=O)NCC[NH+](C(C)C)C2CC2)nc2nc([O-])[nH]c(=O)c12 C1CC1[*:1] Cc1cc(nc2nc([O-])[nH]c(=O)c12)C(=O)NCC[NH+](C(C)C)[*:1]
Cc1cc(C(=O)NCC[NH+](C(C)C)C2CC2)nc2nc([O-])[nH]c(=O)c12 CC(C)[*:1] Cc1cc(nc2nc([O-])[nH]c(=O)c12)C(=O)NCC[NH+](C1CC1)[*:1]
CS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 CS(=O)(=O)[*:1] O=C(C[NH+]1CCC(CC1)c1ccc(O)cc1)Nc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 Oc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)C[NH+]1CCC(CC1)[*:1]
Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2cccnc2)cc1 Cc1ccc(cc1)[*:1] O=C1c2ccccc2[C@@H](N[*:1])N1c1cccnc1
Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2cccnc2)cc1 Cc1ccc(cc1)N[*:1] O=C1c2ccccc2[C@H](N1c1cccnc1)[*:1]
Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2cccnc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)N[C@@H]1c2ccccc2C(=O)N1[*:1]
CCC[NH2+][C@@H]1CCN(c2ccc(C(C)(C)C)cc2)C1 CC(C)(C)[*:1] CCC[NH2+][C@@H]1CCN(C1)c1ccc(cc1)[*:1]
CCC[NH2+][C@@H]1CCN(c2ccc(C(C)(C)C)cc2)C1 CCC[*:1] CC(C)(C)c1ccc(cc1)N1CC[C@H](C1)[NH2+][*:1]
C#CCOc1ccc(CCNC(=O)N[C@@H](C)c2ncc(C)s2)cc1 C#CC[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NCCc1ccc(cc1)O[*:1]
C#CCOc1ccc(CCNC(=O)N[C@@H](C)c2ncc(C)s2)cc1 Cc1cnc(s1)[*:1] C#CCOc1ccc(cc1)CCNC(=O)N[C@@H](C)[*:1]
C#CCOc1ccc(CCNC(=O)N[C@@H](C)c2ncc(C)s2)cc1 C#CCO[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NCCc1ccc(cc1)[*:1]
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 Cc1cc(Cl)ccc1O[*:1] Cc1cc(ccc1-c1ccc(CO)o1)NC(=O)C[*:1]
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 OCc1ccc(o1)[*:1] Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(c(C)c1)[*:1]
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 Cc1cc(Cl)ccc1[*:1] Cc1cc(ccc1-c1ccc(CO)o1)NC(=O)CO[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)N1CC[NH+](CC(C)C)CC1 CC(C)[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)N1CC[NH+](CC1)C[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)N1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)N1CC[NH+](CC1)[*:1]
Cc1ccc(CCC/C([O-])=N/S(=O)(=O)c2cccc(Cl)c2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])CCC[*:1])c1cccc(Cl)c1
Cc1ccc(CCC/C([O-])=N/S(=O)(=O)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)CCC/C([O-])=N/S(=O)(=O)[*:1]
O=S1(=O)N=C(NCc2ccc(-c3ccc(Cl)cc3)o2)c2ccccc21 Clc1ccc(cc1)[*:1] O=S1(=O)N=C(NCc2ccc(o2)[*:1])c2ccccc21
O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2cc[nH]c2c1 c1cc2ccc(cc2[nH]1)[*:1] O=C(CCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)N[*:1]
O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2cc[nH]c2c1 Fc1ccc(cc1)[*:1] O=C(CCC(=O)N1CCN(CC1)S(=O)(=O)[*:1])Nc1ccc2cc[nH]c2c1
COc1cccc(OCC(=O)N2CCC(Oc3nc4c(Cl)cccc4s3)CC2)c1 COc1cccc(c1)[*:1] O=C(CO[*:1])N1CCC(CC1)Oc1nc2c(Cl)cccc2s1
COc1cccc(OCC(=O)N2CCC(Oc3nc4c(Cl)cccc4s3)CC2)c1 COc1cccc(c1)O[*:1] O=C(C[*:1])N1CCC(CC1)Oc1nc2c(Cl)cccc2s1
O=C(CSc1nnc(/N=C(\[O-])C2=C(c3ccccc3)SCCO2)s1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(/N=C(\[O-])C2OCCSC=2[*:1])s1)c1ccccc1
O=C(CSc1nnc(/N=C(\[O-])C2=C(c3ccccc3)SCCO2)s1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(/N=C(\[O-])C2OCCSC=2c2ccccc2)s1)[*:1]
O=C(CSc1nnc(/N=C(\[O-])C2=C(c3ccccc3)SCCO2)s1)c1ccccc1 O=C(C[*:1])c1ccccc1 [O-]/C(=N\c1nnc(S[*:1])s1)C1OCCSC=1c1ccccc1
O=C(CSc1nnc(/N=C(\[O-])C2=C(c3ccccc3)SCCO2)s1)c1ccccc1 O=C(c1ccccc1)[*:1] [O-]/C(=N\c1nnc(SC[*:1])s1)C1OCCSC=1c1ccccc1
O=C(CSc1nnc(/N=C(\[O-])C2=C(c3ccccc3)SCCO2)s1)c1ccccc1 O=C(CS[*:1])c1ccccc1 [O-]/C(=N\c1nnc(s1)[*:1])C1OCCSC=1c1ccccc1
Cc1cc(C)cc(NC(=O)C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[C@@H]1CCSc2c(F)cccc21)C(=O)N[*:1]
CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@@H]1CCCc2ccc(F)cc21 C1CN(CCO1)[*:1] CN(C[C@@H](O)C[*:1])C(=O)N[C@@H]1CCCc2ccc(F)cc21
CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@@H]1CCCc2ccc(F)cc21 C1CN(CCO1)C[*:1] CN(C[C@@H](O)[*:1])C(=O)N[C@@H]1CCCc2ccc(F)cc21
CC(=O)c1ccc(N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] Fc1ccc(cc1)-c1cnc(CN2CCN(CC2)[*:1])o1
CC(=O)c1ccc(N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 CC(=O)[*:1] Fc1ccc(cc1)-c1cnc(CN2CCN(CC2)c2ccc(cc2)[*:1])o1
CC(=O)c1ccc(N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)Cc1ncc(o1)[*:1]
C[C@]1(C(=O)[O-])COC[C@@H]1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 O=C([O-])[*:1] C[C@@]1(COC[C@@H]1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
CCc1cccc2c([C@@H](CC(=O)N3CCCC3)c3cccc(OC)c3)c[nH]c12 COc1cccc(c1)[*:1] CCc1cccc2c(c[nH]c12)[C@@H](CC(=O)N1CCCC1)[*:1]
CCc1cccc2c([C@@H](CC(=O)N3CCCC3)c3cccc(OC)c3)c[nH]c12 O=C(C[*:1])N1CCCC1 CCc1cccc2c(c[nH]c12)[C@@H](c1cccc(c1)OC)[*:1]
CCc1cccc2c([C@@H](CC(=O)N3CCCC3)c3cccc(OC)c3)c[nH]c12 O=C(N1CCCC1)[*:1] CCc1cccc2c(c[nH]c12)[C@@H](C[*:1])c1cccc(c1)OC
CCCNC(=O)Nc1cc(OCC(=O)OC)c(C)cc1Cl CCCNC(=O)N[*:1] COC(=O)COc1cc(c(Cl)cc1C)[*:1]
CCCNC(=O)Nc1cc(OCC(=O)OC)c(C)cc1Cl COC(=O)C[*:1] CCCNC(=O)Nc1cc(O[*:1])c(C)cc1Cl
CCCNC(=O)Nc1cc(OCC(=O)OC)c(C)cc1Cl COC(=O)[*:1] CCCNC(=O)Nc1cc(OC[*:1])c(C)cc1Cl
CCCNC(=O)Nc1cc(OCC(=O)OC)c(C)cc1Cl COC(=O)CO[*:1] CCCNC(=O)Nc1cc(c(C)cc1Cl)[*:1]
CCCNC(=O)Nc1cc(OCC(=O)OC)c(C)cc1Cl CCC[*:1] COC(=O)COc1cc(NC(=O)N[*:1])c(Cl)cc1C
O=C1CCCN1CN1CC[C@H](OCCCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C1CCCN1CN1CC[C@@H](C1)OCC[*:1]
O=C1CCCN1CN1CC[C@H](OCCCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C1CCCN1CN1CC[C@@H](C1)OCCC[*:1]
O=C1CCCN1CN1CC[C@H](OCCCc2ccccc2)C1 O=C1CCCN1C[*:1] c1ccc(cc1)CCCO[C@H]1CCN(C1)[*:1]
O=C1CCCN1CN1CC[C@H](OCCCc2ccccc2)C1 O=C1CCCN1[*:1] c1ccc(cc1)CCCO[C@H]1CCN(C1)C[*:1]
COc1cc(Nc2cn[nH]c(=O)n2)c(C(=O)[O-])cc1OC O=C([O-])[*:1] COc1cc(Nc2cn[nH]c(=O)n2)c(cc1OC)[*:1]
COc1cc(Nc2cn[nH]c(=O)n2)c(C(=O)[O-])cc1OC O=c1nc(cn[nH]1)[*:1] COc1cc(N[*:1])c(cc1OC)C(=O)[O-]
Cc1ccc(CCNC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)cn1 Cc1ccc(cn1)C[*:1] Cc1ccc(o1)[C@H]1C[C@H](C)CCN1C(=O)NC[*:1]
Cc1ccc(CCNC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)cn1 Cc1ccc(cn1)[*:1] Cc1ccc(o1)[C@H]1C[C@H](C)CCN1C(=O)NCC[*:1]
Cc1ccc(CCNC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)cn1 Cc1ccc(o1)[*:1] Cc1ccc(cn1)CCNC(=O)N1CC[C@@H](C)C[C@H]1[*:1]
CCOC(=O)c1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)c1 c1ccc(cc1)[*:1] CCOC(=O)c1cccc(c1)NC(=O)Cn1c2Oc3ccccc3Cc2c(=O)n1[*:1]
CCOC(=O)c1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)c1 CCOC(=O)[*:1] O=C(Cn1c2Oc3ccccc3Cc2c(=O)n1-c1ccccc1)Nc1cccc(c1)[*:1]
CCOC(=O)c1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)c1 CCOC(=O)c1cccc(c1)[*:1] O=C(Cn1c2Oc3ccccc3Cc2c(=O)n1-c1ccccc1)N[*:1]
CCOC(=O)Cn1c(C)c(C(=O)C(F)(F)F)c2ccccc21 CCOC(=O)[*:1] Cc1c(C(=O)C(F)(F)F)c2ccccc2n1C[*:1]
CCOC(=O)Cn1c(C)c(C(=O)C(F)(F)F)c2ccccc21 O=C(C(F)(F)F)[*:1] CCOC(=O)Cn1c(C)c(c2ccccc21)[*:1]
CCOC(=O)Cn1c(C)c(C(=O)C(F)(F)F)c2ccccc21 FC(F)(F)[*:1] CCOC(=O)Cn1c(C)c(C(=O)[*:1])c2ccccc21
CCOC(=O)Cn1c(C)c(C(=O)C(F)(F)F)c2ccccc21 CCOC(=O)C[*:1] Cc1c(C(=O)C(F)(F)F)c2ccccc2n1[*:1]
CCCc1ccc(NC(=O)CONC(=O)C2CCCC2)cc1 CCC[*:1] O=C(CONC(=O)C1CCCC1)Nc1ccc(cc1)[*:1]
CCCc1ccc(NC(=O)CONC(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] CCCc1ccc(cc1)NC(=O)CONC(=O)[*:1]
CCc1c(C(=O)N2CCN(c3ccccc3O)CC2)cnn1-c1ccccc1 Oc1ccccc1[*:1] CCc1c(cnn1-c1ccccc1)C(=O)N1CCN(CC1)[*:1]
CCc1c(C(=O)N2CCN(c3ccccc3O)CC2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)N1CCN(CC1)c1ccccc1O
Cc1sc2ncnc(N[C@H](C)c3ccc(-n4ccnc4)cc3)c2c1C c1cn(cn1)[*:1] Cc1sc2ncnc(N[C@H](C)c3ccc(cc3)[*:1])c2c1C
Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 Cn1cnc(c1Cl)[*:1] Cc1[nH]c2ccccc2c1C1=CCN(CC1)S(=O)(=O)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 OCC[*:1] C[C@H](N(Cc1ccccc1)C(=O)Nc1ccc2NC(=O)CCc2c1)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 c1ccc(cc1)[*:1] C[C@H](CCO)N(C[*:1])C(=O)Nc1ccc2NC(=O)CCc2c1
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 c1ccc(cc1)C[*:1] C[C@H](CCO)N(C(=O)Nc1ccc2NC(=O)CCc2c1)[*:1]
NC(=O)c1cn[nH]c1NC(=O)c1cc2c(nc3sccn32)s1 NC(=O)[*:1] O=C(Nc1[nH]ncc1[*:1])c1cc2c(nc3sccn32)s1
CCOC[C@@H](C)n1c(CCl)nc2cc(Br)cnc21 CCO[*:1] C[C@H](C[*:1])n1c(CCl)nc2cc(Br)cnc21
CCOC[C@@H](C)n1c(CCl)nc2cc(Br)cnc21 CCOC[C@@H](C)[*:1] ClCc1nc2cc(Br)cnc2n1[*:1]
CCOC[C@@H](C)n1c(CCl)nc2cc(Br)cnc21 CCOC[*:1] C[C@@H](n1c(CCl)nc2cc(Br)cnc21)[*:1]
Cc1ccc(/C=C2\Sc3ccc(C(=O)NCc4ccco4)cc3N(C)C2=O)cc1 O=C(NCc1ccco1)[*:1] Cc1ccc(/C=C2\Sc3ccc(cc3N(C)C2=O)[*:1])cc1
Cc1ccc(/C=C2\Sc3ccc(C(=O)NCc4ccco4)cc3N(C)C2=O)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)C(=C[*:1])Sc2ccc(cc21)C(=O)NCc1ccco1
Cc1ccc(/C=C2\Sc3ccc(C(=O)NCc4ccco4)cc3N(C)C2=O)cc1 c1coc(c1)[*:1] Cc1ccc(/C=C2\Sc3ccc(cc3N(C)C2=O)C(=O)NC[*:1])cc1
Cc1ccc(/C=C2\Sc3ccc(C(=O)NCc4ccco4)cc3N(C)C2=O)cc1 c1coc(c1)C[*:1] Cc1ccc(/C=C2\Sc3ccc(cc3N(C)C2=O)C(=O)N[*:1])cc1
COc1ccccc1NC(=O)CSC1=NC(=O)[C@H]2SC(=S)N(c3ccc(Cl)cc3)C2=N1 Clc1ccc(cc1)[*:1] COc1ccccc1NC(=O)CSC1=NC(=O)[C@H]2SC(=S)N(C2=N1)[*:1]
COc1ccccc1NC(=O)CSC1=NC(=O)[C@H]2SC(=S)N(c3ccc(Cl)cc3)C2=N1 COc1ccccc1[*:1] O=C(CSC1=NC(=O)[C@H]2SC(=S)N(C2=N1)c1ccc(Cl)cc1)N[*:1]
COCCSCc1nc2sc(C)c(C)c2c(=O)[nH]1 COCCS[*:1] Cc1sc2nc(C[*:1])[nH]c(=O)c2c1C
COCCSCc1nc2sc(C)c(C)c2c(=O)[nH]1 COCCSC[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[*:1]
COCCSCc1nc2sc(C)c(C)c2c(=O)[nH]1 COCC[*:1] Cc1sc2nc(CS[*:1])[nH]c(=O)c2c1C
COCCSCc1nc2sc(C)c(C)c2c(=O)[nH]1 COC[*:1] Cc1sc2nc(CSC[*:1])[nH]c(=O)c2c1C
O[C@H](Nc1cccc[nH+]1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O[C@H](Nc1cccc[nH+]1)[*:1]
O=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccc(F)cc1 Brc1ccc(s1)[*:1] O=C(CNS(=O)(=O)[*:1])NCc1ccc(F)cc1
O=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNS(=O)(=O)c1ccc(Br)s1)NC[*:1]
Cc1cc(Cl)ccc1OCCCNC(=O)C(=O)Nc1ccn(C)n1 Cc1cc(Cl)ccc1[*:1] Cn1ccc(n1)NC(=O)C(=O)NCCCO[*:1]
Cc1cc(Cl)ccc1OCCCNC(=O)C(=O)Nc1ccn(C)n1 Cn1ccc(n1)[*:1] Cc1cc(Cl)ccc1OCCCNC(=O)C(=O)N[*:1]
CC(C)CC(=O)NCC1CCC(c2c(C(N)=O)sc3ncccc23)CC1 NC(=O)[*:1] CC(C)CC(=O)NCC1CCC(CC1)c1c(sc2ncccc12)[*:1]
CC(C)CC(=O)NCC1CCC(c2c(C(N)=O)sc3ncccc23)CC1 CC(C)CC(=O)NC[*:1] NC(=O)c1sc2ncccc2c1C1CCC(CC1)[*:1]
CC(C)CC(=O)NCC1CCC(c2c(C(N)=O)sc3ncccc23)CC1 CC(C)CC(=O)N[*:1] NC(=O)c1sc2ncccc2c1C1CCC(CC1)C[*:1]
CC(C)CC(=O)NCC1CCC(c2c(C(N)=O)sc3ncccc23)CC1 CC(C)[*:1] NC(=O)c1sc2ncccc2c1C1CCC(CC1)CNC(=O)C[*:1]
CC(C)CC(=O)NCC1CCC(c2c(C(N)=O)sc3ncccc23)CC1 CC(C)C[*:1] NC(=O)c1sc2ncccc2c1C1CCC(CC1)CNC(=O)[*:1]
CCc1ccc(C(=O)N[C@H](CC)c2nc(-c3ccccc3)c[nH]2)o1 c1ccc(cc1)[*:1] CCc1ccc(o1)C(=O)N[C@H](CC)c1nc(c[nH]1)[*:1]
CCc1ccc(C(=O)N[C@H](CC)c2nc(-c3ccccc3)c[nH]2)o1 CCc1ccc(o1)[*:1] CC[C@@H](NC(=O)[*:1])c1nc(c[nH]1)-c1ccccc1
Cc1cccc2c(CC(=O)NC3(c4ccc(F)cc4)CCOCC3)c[nH]c12 Fc1ccc(cc1)[*:1] Cc1cccc2c(c[nH]c12)CC(=O)NC1(CCOCC1)[*:1]
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1C(=O)Cc1n[nH]c2c(Cl)cccc12 C1CC1[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1C(=O)Cc1n[nH]c2c(Cl)cccc12
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1C(=O)Cc1n[nH]c2c(Cl)cccc12 O=C(NC1CC1)[*:1] O=C(Cc1n[nH]c2c(Cl)cccc12)N1Cc2ccccc2C[C@H]1[*:1]
O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 Clc1ccc(cc1Cl)[*:1] O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 Clc1ccc(nc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)c(Cl)c1
CC[C@H](Cc1cccc(O)c1)[C@H](C)Cl C[C@H](Cl)[*:1] CC[C@H](Cc1cccc(O)c1)[*:1]
COc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N(Cc1nc(no1)[*:1])C1CCCCC1
COc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)N(Cc1nc(no1)-c1ccccc1)C1CCCCC1
COc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cc1[N+](=O)[O-] C1CCC(CC1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N(Cc1nc(no1)-c1ccccc1)[*:1]
O=S(=O)(c1ccc(Cl)cc1F)N1CCC(c2nc3ccccc3[nH]2)CC1 Fc1cc(Cl)ccc1[*:1] O=S(=O)(N1CCC(CC1)c1nc2ccccc2[nH]1)[*:1]
CCC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 CCC[*:1] C[C@H]([NH2+][*:1])c1ccc(cc1)OCC(F)(F)F
CCC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] CCC[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CCC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] CCC[NH2+][C@@H](C)c1ccc(cc1)O[*:1]
CCC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] CCC[NH2+][C@@H](C)c1ccc(cc1)OC[*:1]
CC1(NC(=O)NCCC(=O)NC2CCCCC2)Cc2ccccc2C1 C1CCC(CC1)[*:1] CC1(Cc2ccccc2C1)NC(=O)NCCC(=O)N[*:1]
O=C([O-])[C@@H]1C=C[C@@H]([NH+]2CC3(CCOCC3)C2)C1 O=C([O-])[*:1] C1=C[C@H](C[C@@H]1[NH+]1CC2(CCOCC2)C1)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](c1ccccc1)[C@@H]1C[C@@H]1C C[C@H]1C[C@H]1[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N[C@@H](c1ccccc1)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](c1ccccc1)[C@@H]1C[C@@H]1C c1ccc(cc1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N[C@@H]([C@@H]1C[C@@H]1C)[*:1]
Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(-c2ccccc2)[nH]1 Clc1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)CSc1nnc([nH]1)-c1ccccc1)[*:1]
Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(-c2ccccc2)[nH]1 c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)CSc1nnc([nH]1)[*:1])-c1ccc(Cl)cc1
CC1(C)CCCN(C(=O)c2cn(Cc3cccs3)nn2)c2ccccc21 c1csc(c1)C[*:1] CC1(C)CCCN(C(=O)c2cn(nn2)[*:1])c2ccccc21
CC1(C)CCCN(C(=O)c2cn(Cc3cccs3)nn2)c2ccccc21 c1csc(c1)[*:1] CC1(C)CCCN(C(=O)c2cn(C[*:1])nn2)c2ccccc21
Cc1c(CNC(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)cnn1C Cc1c(cnn1C)C[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)N[*:1]
Cc1c(CNC(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)cnn1C Cc1c(cnn1C)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)NC[*:1]
CC(C)[C@H](C)SCC(=O)NCC#N CC(C)[*:1] C[C@H](SCC(=O)NCC#N)[*:1]
CC(C)[C@H](C)SCC(=O)NCC#N N#CC[*:1] CC(C)[C@H](C)SCC(=O)N[*:1]
CCN(C(=O)[C@H](C)S(=O)(=O)Cc1ccccc1C)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)[C@H](C)S(=O)(=O)Cc1ccccc1C)[*:1]
CCN(C(=O)[C@H](C)S(=O)(=O)Cc1ccccc1C)C1CCCCC1 Cc1ccccc1[*:1] CCN(C(=O)[C@H](C)S(=O)(=O)C[*:1])C1CCCCC1
CCN(C(=O)[C@H](C)S(=O)(=O)Cc1ccccc1C)C1CCCCC1 Cc1ccccc1C[*:1] CCN(C(=O)[C@H](C)S(=O)(=O)[*:1])C1CCCCC1
CCOc1ccc2[nH]c(-c3cccc(CCl)c3)nc2n1 CCO[*:1] ClCc1cccc(c1)-c1nc2nc(ccc2[nH]1)[*:1]
O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCCO2)c(F)c1 C1CC[C@@H](OC1)[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)NC[*:1]
O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCCO2)c(F)c1 C1CC[C@H](C[*:1])OC1 O=C([O-])c1ccc(c(F)c1)S(=O)(=O)N[*:1]
O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCCO2)c(F)c1 O=C([O-])[*:1] O=S(=O)(NC[C@H]1CCCCO1)c1ccc(cc1F)[*:1]
CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1OCC(C)C CCC[*:1] COc1ccc2CC[C@H](OCC(C)C)[C@H]([NH2+][*:1])c2c1
CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1OCC(C)C CC(C)C[*:1] CCC[NH2+][C@@H]1c2cc(ccc2CC[C@@H]1O[*:1])OC
CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1OCC(C)C CC(C)[*:1] CCC[NH2+][C@@H]1c2cc(ccc2CC[C@@H]1OC[*:1])OC
CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1OCC(C)C CC(C)CO[*:1] CCC[NH2+][C@@H]1c2cc(ccc2CC[C@H]1[*:1])OC
Cc1cc(C)nc(SCc2ccc(C(=O)Nc3nc(C)c(C)s3)o2)n1 Cc1nc(sc1C)[*:1] Cc1cc(C)nc(n1)SCc1ccc(o1)C(=O)N[*:1]
Cc1cc(C)nc(SCc2ccc(C(=O)Nc3nc(C)c(C)s3)o2)n1 Cc1cc(C)nc(n1)[*:1] Cc1nc(NC(=O)c2ccc(CS[*:1])o2)sc1C
CC[C@H](C)CN(C)c1cc([C@H](C)O)cc[nH+]1 C[C@H](O)[*:1] CC[C@H](C)CN(C)c1cc(cc[nH+]1)[*:1]
CC[C@H](C)CN(C)c1cc([C@H](C)O)cc[nH+]1 CC[C@H](C)C[*:1] C[C@H](O)c1cc[nH+]c(c1)N(C)[*:1]
CC[C@H](C)CN(C)c1cc([C@H](C)O)cc[nH+]1 CC[C@H](C)[*:1] C[C@H](O)c1cc[nH+]c(c1)N(C)C[*:1]
CC(C)[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 CC(C)[C@@H](C)[*:1] O=S1(=O)CCC(CC1)C[NH2+][*:1]
CC(C)[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 CC(C)[*:1] C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)[*:1]
Cc1ccc(N2CCN(C(=O)C[C@H]3NC(=O)c4ccccc4N=C3O)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1N[C@H](CC(=O)N2CCN(CC2)[*:1])C(O)=Nc2ccccc21
COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(C(=O)N2CCCCC2)[C@@H]1[*:1]
COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)[C@H]2c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N1CCCCC1)N1CCN([C@@H]1c1ccccc1)S(=O)(=O)[*:1]
O[C@H](Cc1cccs1)c1cccc(C2CC2)c1 C1CC1[*:1] O[C@H](Cc1cccs1)c1cccc(c1)[*:1]
O[C@H](Cc1cccs1)c1cccc(C2CC2)c1 c1csc(c1)[*:1] O[C@H](C[*:1])c1cccc(c1)C1CC1
CCC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] CCC(C)(C)NC(=O)CN1CCN(CC1)C(=O)[*:1]
CCC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc(OC)cc2)CC1 CCC(C)(C)NC(=O)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)C[*:1]
CCC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc(OC)cc2)CC1 CCC(C)(C)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1ccc(N2C(=O)N(Cc3cccc(C#N)c3)S(=O)(=O)c3cccnc32)cc1 Cc1ccc(cc1)[*:1] N#Cc1cccc(c1)CN1C(=O)N(c2ncccc2S1(=O)=O)[*:1]
Cc1ccc(N2C(=O)N(Cc3cccc(C#N)c3)S(=O)(=O)c3cccnc32)cc1 N#Cc1cccc(c1)C[*:1] Cc1ccc(cc1)N1C(=O)N(S(=O)(=O)c2cccnc21)[*:1]
Cc1ccc(N2C(=O)N(Cc3cccc(C#N)c3)S(=O)(=O)c3cccnc32)cc1 N#Cc1cccc(c1)[*:1] Cc1ccc(cc1)N1C(=O)N(C[*:1])S(=O)(=O)c2cccnc21
CC(C)N[C@@]1(C#N)CCC[C@@H]1CCSc1ccccc1 c1ccc(cc1)[*:1] CC(C)N[C@@]1(C#N)CCC[C@@H]1CCS[*:1]
CC(C)N[C@@]1(C#N)CCC[C@@H]1CCSc1ccccc1 CC(C)[*:1] N#C[C@@]1(CCC[C@@H]1CCSc1ccccc1)N[*:1]
CC(C)N[C@@]1(C#N)CCC[C@@H]1CCSc1ccccc1 CC(C)N[*:1] N#C[C@]1(CCC[C@@H]1CCSc1ccccc1)[*:1]
CCOc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 CCOc1ccc(cc1)[*:1] O=C1COc2cc(c(Cl)cc2N1)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
CCOc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 CCO[*:1] O=C1COc2cc(c(Cl)cc2N1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
O=C(COC(=O)c1ccc2nc(Cl)ccc2c1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(COC(=O)c1ccc2nc(Cl)ccc2c1)N[*:1]
O=C(COC(=O)c1ccc2nc(Cl)ccc2c1)NCC(F)(F)F FC(F)(F)[*:1] O=C(COC(=O)c1ccc2nc(Cl)ccc2c1)NC[*:1]
Cc1ccccc1-n1cc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cn1 Cc1ccccc1[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)c1cnn(c1)[*:1]
NC1=Nc2nc3ccccc3n2[C@@H](c2cnn(-c3ccccc3)c2)N1 c1ccc(cc1)[*:1] NC1=Nc2nc3ccccc3n2[C@H](N1)c1cnn(c1)[*:1]
CC[C@H](C)N1C(N)=[NH+]C[C@]1(C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](C)N1C(N)=[NH+]C[C@]1(C)c1cccc(c1)[*:1]
CC[C@H](C)N1C(N)=[NH+]C[C@]1(C)c1cccc(C(F)(F)F)c1 CC[C@H](C)[*:1] C[C@@]1(C[NH+]=C(N)N1[*:1])c1cccc(c1)C(F)(F)F
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]CCO)C1 OCC[*:1] CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+][*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]CCO)C1 CC(C)(C)[*:1] O=C(N[C@@H]1CC[C@H](C1)[NH2+]CCO)O[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)CCOC COCC[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)CCOC COCC[C@H](C)[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)CCOC COC[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](C)C[*:1]
Cc1ccc(Cl)cc1NC(=O)c1cccc(OCC(F)F)n1 FC(F)[*:1] Cc1ccc(Cl)cc1NC(=O)c1cccc(n1)OC[*:1]
Cc1ccc(Cl)cc1NC(=O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] Cc1ccc(Cl)cc1NC(=O)c1cccc(n1)[*:1]
Cc1ccc(Cl)cc1NC(=O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] Cc1ccc(Cl)cc1NC(=O)c1cccc(n1)O[*:1]
CCOC(=O)[C@H]1N=C(C)C(CCC(=O)NC(C)(C)C)=C1C CCOC(=O)[*:1] CC1=N[C@@H](C(C)=C1CCC(=O)NC(C)(C)C)[*:1]
CCOC(=O)[C@H]1N=C(C)C(CCC(=O)NC(C)(C)C)=C1C CC(C)(C)NC(=O)[*:1] CCOC(=O)[C@H]1N=C(C)C(CC[*:1])=C1C
CCOC(=O)[C@H]1N=C(C)C(CCC(=O)NC(C)(C)C)=C1C CC(C)(C)[*:1] CCOC(=O)[C@H]1N=C(C)C(CCC(=O)N[*:1])=C1C
CC(C)(C)n1cc(C(=O)c2ccccc2Oc2ccc(C(F)(F)F)cn2)cn1 CC(C)(C)[*:1] O=C(c1cnn(c1)[*:1])c1ccccc1Oc1ccc(cn1)C(F)(F)F
CC(C)(C)n1cc(C(=O)c2ccccc2Oc2ccc(C(F)(F)F)cn2)cn1 FC(F)(F)[*:1] CC(C)(C)n1cc(cn1)C(=O)c1ccccc1Oc1ccc(cn1)[*:1]
CC(C)(C)n1cc(C(=O)c2ccccc2Oc2ccc(C(F)(F)F)cn2)cn1 CC(C)(C)n1cc(cn1)[*:1] O=C(c1ccccc1Oc1ccc(cn1)C(F)(F)F)[*:1]
C[C@](N)(C(=O)N1CCc2ccc(O)cc2C1)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(C(=O)N1CCc2ccc(O)cc2C1)[*:1]
CC(C)c1nn(CCC#N)c(Cl)c1CCl N#CC[*:1] CC(C)c1nn(C[*:1])c(Cl)c1CCl
CC(C)c1nn(CCC#N)c(Cl)c1CCl CC(C)[*:1] N#CCCn1nc(c(CCl)c1Cl)[*:1]
CC(C)c1nn(CCC#N)c(Cl)c1CCl N#CCC[*:1] CC(C)c1nn(c(Cl)c1CCl)[*:1]
Cc1cccc(N2CCN(C(=O)c3ccc(NC(=O)C4=CSCCO4)cc3)C[C@@H]2C)c1 Cc1cccc(c1)[*:1] C[C@H]1CN(CCN1[*:1])C(=O)c1ccc(cc1)NC(=O)C1=CSCCO1
Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NC1CCN(CC1)S(=O)(=O)[*:1])c1cccc(c1)C(F)(F)F
Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NS(=O)(=O)c1cccc(c1)[*:1]
CNS(=O)(=O)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1OC C1CCC(CC1)[*:1] CNS(=O)(=O)c1ccc(cc1OC)NC(=O)c1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1OC CNS(=O)(=O)[*:1] COc1cc(ccc1[*:1])NC(=O)c1ccc(cc1)C1CCCCC1
O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(=O)n(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=C(NCc1ccccc1-c1ccc(cc1)Cn1cccn1)c1ccc(=O)n(n1)[*:1]
O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(=O)n(-c2ccc(F)cc2)n1 c1cnn(c1)Cc1ccc(cc1)[*:1] O=C(NCc1ccccc1[*:1])c1ccc(=O)n(n1)-c1ccc(F)cc1
O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(=O)n(-c2ccc(F)cc2)n1 c1cnn(c1)[*:1] O=C(NCc1ccccc1-c1ccc(cc1)C[*:1])c1ccc(=O)n(n1)-c1ccc(F)cc1
O=C(NCc1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(=O)n(-c2ccc(F)cc2)n1 c1cnn(c1)C[*:1] O=C(NCc1ccccc1-c1ccc(cc1)[*:1])c1ccc(=O)n(n1)-c1ccc(F)cc1
CCC(CC)c1nc(=O)c(-c2ccc(F)cc2)c([O-])[nH]1 CCC(CC)[*:1] O=c1nc([nH]c([O-])c1-c1ccc(F)cc1)[*:1]
C[C@@H](NC(=O)CNc1cc(-n2cnnn2)ccc1F)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(CNc1cc(ccc1F)-n1cnnn1)N[*:1]
C[C@@H](NC(=O)CNc1cc(-n2cnnn2)ccc1F)c1ccccc1 c1nnnn1[*:1] C[C@@H](NC(=O)CNc1cc(ccc1F)[*:1])c1ccccc1
C[C@@H](NC(=O)CNc1cc(-n2cnnn2)ccc1F)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CNc1cc(ccc1F)-n1cnnn1)[*:1]
Cc1noc(C)c1CCCNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1noc(C)c1CCCNC(=O)[C@@H]1CCCCN1C(=O)O[*:1]
Cc1noc(C)c1CCCNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C Cc1noc(C)c1C[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCC[*:1]
Cc1noc(C)c1CCCNC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C Cc1noc(C)c1[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCCC[*:1]
Cc1cncc(C(=O)Nc2cccc(CSC(C)C)c2C)c1 CC(C)[*:1] Cc1cncc(c1)C(=O)Nc1cccc(CS[*:1])c1C
Cc1cncc(C(=O)Nc2cccc(CSC(C)C)c2C)c1 Cc1cncc(c1)[*:1] Cc1c(cccc1NC(=O)[*:1])CSC(C)C
Cc1cncc(C(=O)Nc2cccc(CSC(C)C)c2C)c1 CC(C)SC[*:1] Cc1cncc(c1)C(=O)Nc1cccc(c1C)[*:1]
Cc1cncc(C(=O)Nc2cccc(CSC(C)C)c2C)c1 CC(C)S[*:1] Cc1cncc(c1)C(=O)Nc1cccc(C[*:1])c1C
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 c1cncc(c1)[*:1] Cc1ccc2NC(=O)[C@]3(c2c1)[C@@H](C(=O)[*:1])[C@@H](c1ccc(cc1)[N+](=O)[O-])[C@H]1CSCN13
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc2NC(=O)[C@]3(c2c1)[C@@H](C(=O)c1cccnc1)[C@@H]([C@H]1CSCN13)[*:1]
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 O=[N+]([O-])[*:1] Cc1ccc2NC(=O)[C@]3(c2c1)[C@@H](C(=O)c1cccnc1)[C@@H](c1ccc(cc1)[*:1])[C@H]1CSCN13
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 O=C(c1cccnc1)[*:1] Cc1ccc2NC(=O)[C@]3(c2c1)[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])[C@H]1CSCN13)[*:1]
CCCN(C[C@H]1CCCCO1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O C1CC[C@@H](OC1)[*:1] CCCN(C[*:1])C(=O)[C@@H]1CCCCN1S(C)(=O)=O
CCCN(C[C@H]1CCCCO1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O C1CC[C@H](C[*:1])OC1 CCCN(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)[*:1]
CCCN(C[C@H]1CCCCO1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O CCC[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)N(C[C@H]1CCCCO1)[*:1]
O=C(c1cc(Cl)cc(Cl)c1)N1CCC(OCc2ccccc2F)CC1 Clc1cc(Cl)cc(c1)[*:1] O=C(N1CCC(CC1)OCc1ccccc1F)[*:1]
O=C(c1cc(Cl)cc(Cl)c1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1cc(Cl)cc(Cl)c1)N1CCC(CC1)OC[*:1]
O=C(c1cc(Cl)cc(Cl)c1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(c1cc(Cl)cc(Cl)c1)N1CCC(CC1)O[*:1]
COCCN1C(N)=[NH+]C[C@@]1(C)c1ccccc1C COCC[*:1] Cc1ccccc1[C@]1(C)C[NH+]=C(N)N1[*:1]
COCCN1C(N)=[NH+]C[C@@]1(C)c1ccccc1C COC[*:1] Cc1ccccc1[C@]1(C)C[NH+]=C(N)N1C[*:1]
O=C(c1cn(Cc2cccnc2)nn1)N1CCc2c(F)ccc(F)c2C1 c1cncc(c1)C[*:1] O=C(c1cn(nn1)[*:1])N1CCc2c(F)ccc(F)c2C1
O=C(c1cn(Cc2cccnc2)nn1)N1CCc2c(F)ccc(F)c2C1 c1cncc(c1)[*:1] O=C(c1cn(C[*:1])nn1)N1CCc2c(F)ccc(F)c2C1
N#Cc1ccc(OC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] N#Cc1ccc(cc1)OC(=O)CCCNC(=O)[*:1]
N#Cc1ccc(OC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1 N#Cc1ccc(cc1)[*:1] O=C(CCCNC(=O)c1ccc(F)cc1F)O[*:1]
CCOC(=O)[C@@H]1CCCCN1Cc1cnc(NN)s1 CCOC(=O)[*:1] NNc1ncc(CN2CCCC[C@H]2[*:1])s1
CCc1c(C)nc2nnc(/N=C(\[O-])C(F)(F)F)n2c1[O-] FC(F)(F)[*:1] CCc1c(C)nc2nnc(/N=C(\[O-])[*:1])n2c1[O-]
COc1cc(NC(=S)Nc2ccccc2)c(OC)cc1Cl c1ccc(cc1)[*:1] COc1cc(NC(=S)N[*:1])c(cc1Cl)OC
Cc1cccc(NC(=O)C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)c1C Cc1cccc(c1C)[*:1] C[C@@H]1CC(C)(C)C[C@](CO)(C1)[NH2+]CC(=O)N[*:1]
O=C(Nc1cccc(Cl)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Clc1cccc(c1)[*:1] O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)C(=O)N[*:1]
O=C(Nc1cccc(Cl)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)C(=O)N[C@H](CC(F)(F)F)[*:1]
O=C(Nc1cccc(Cl)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(Nc1cccc(Cl)c1)C(=O)N[C@H](C[*:1])c1ccc(F)cc1
O=C(Nc1cccc(Cl)c1)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] O=C(Nc1cccc(Cl)c1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
COc1ccc(C[NH+](C)CCS(C)(=O)=O)cc1/C(N)=N/O CS(=O)(=O)[*:1] COc1ccc(cc1/C(N)=N/O)C[NH+](C)CC[*:1]
COc1ccc(C[NH+](C)CCS(C)(=O)=O)cc1/C(N)=N/O CS(=O)(=O)C[*:1] COc1ccc(cc1/C(N)=N/O)C[NH+](C)C[*:1]
COc1ccc(C[NH+](C)CCS(C)(=O)=O)cc1/C(N)=N/O N/C(=N\O)[*:1] COc1ccc(cc1[*:1])C[NH+](C)CCS(C)(=O)=O
COc1ccc(C[NH+](C)CCS(C)(=O)=O)cc1/C(N)=N/O CS(=O)(=O)CC[*:1] COc1ccc(cc1/C(N)=N/O)C[NH+](C)[*:1]
CC(C)n1c(CNC(=O)CSc2ccccc2)n[nH]c1=S CC(C)[*:1] O=C(CSc1ccccc1)NCc1n[nH]c(=S)n1[*:1]
CC(C)n1c(CNC(=O)CSc2ccccc2)n[nH]c1=S c1ccc(cc1)S[*:1] CC(C)n1c(CNC(=O)C[*:1])n[nH]c1=S
CC(C)n1c(CNC(=O)CSc2ccccc2)n[nH]c1=S c1ccc(cc1)[*:1] CC(C)n1c(CNC(=O)CS[*:1])n[nH]c1=S
COc1cccc(CNC(=O)C[C@@H](C)n2nc(C)cc2C)c1 Cc1cc(C)n(n1)[*:1] COc1cccc(c1)CNC(=O)C[C@@H](C)[*:1]
C[C@H]1CC[C@H](C)N(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 C1CC1[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
COCc1noc(Cn2c(COc3ccccc3)nc3ccccc32)n1 c1ccc(cc1)[*:1] COCc1noc(Cn2c(CO[*:1])nc3ccccc32)n1
COCc1noc(Cn2c(COc3ccccc3)nc3ccccc32)n1 c1ccc(cc1)O[*:1] COCc1noc(Cn2c(C[*:1])nc3ccccc32)n1
COCc1noc(Cn2c(COc3ccccc3)nc3ccccc32)n1 c1ccc(cc1)OC[*:1] COCc1noc(Cn2c(nc3ccccc32)[*:1])n1
COCc1noc(Cn2c(COc3ccccc3)nc3ccccc32)n1 COC[*:1] c1ccc(cc1)OCc1nc2ccccc2n1Cc1nc(no1)[*:1]
COCc1noc(Cn2c(COc3ccccc3)nc3ccccc32)n1 COCc1noc(n1)[*:1] c1ccc(cc1)OCc1nc2ccccc2n1C[*:1]
O=C1CCCN1c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1 O=C1CCCN1[*:1] O=S(=O)(NCc1ccc(cc1)[*:1])c1cccc(Cl)c1
O=C1CCCN1c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] O=C1CCCN1c1ccc(cc1)CNS(=O)(=O)[*:1]
Fc1cccc(CSc2ncnc3sc4c(c23)CCCC4)c1 Fc1cccc(c1)[*:1] c1nc(SC[*:1])c2c3CCCCc3sc2n1
COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 COc1ccc(cc1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)CC[*:1]
COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 COc1ccc(cc1)C[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2cccn2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)-n1cccn1)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)[*:1])[N+](=O)[O-]
CC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(Cl)c1)C2=O CC(=O)C[*:1] Cc1ccc(cc1Cl)N1C(=O)c2ccc(cc2C1=O)C(=O)O[*:1]
CC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(Cl)c1)C2=O Cc1ccc(cc1Cl)[*:1] CC(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(Cl)c1)C2=O CC(=O)[*:1] Cc1ccc(cc1Cl)N1C(=O)c2ccc(cc2C1=O)C(=O)OC[*:1]
CC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(Cl)c1)C2=O CC(=O)COC(=O)[*:1] Cc1ccc(cc1Cl)N1C(=O)c2ccc(cc2C1=O)[*:1]
CCCO/C([O-])=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCCO/C([O-])=C1\C(C)=NC2C[C@H](C)[C@H](C(=O)OC)C(=O)C=2[C@H]1[*:1]
CCCO/C([O-])=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 CCCO[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)C(=C([O-])[*:1])[C@H]2c1ccc(O)cc1
CCCO/C([O-])=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 COC(=O)[*:1] CCCO/C([O-])=C1\C(C)=NC2C[C@H](C)[C@H](C(=O)C=2[C@@H]1c1ccc(O)cc1)[*:1]
CCCO/C([O-])=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 CCC[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/[O-])O[*:1])[C@H]2c1ccc(O)cc1
O=C(NCCc1cccc(F)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 Fc1cccc(c1)[*:1] O=C(NCC[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
O=C(NCCc1cccc(F)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 Fc1cccc(c1)C[*:1] O=C(NC[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(Cl)cc1 O=C(N[*:1])c1ccccc1 C[C@H](NC(=O)[C@@H](Cc1ccccc1)[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C[*:1])NC(=O)c1ccccc1)c1ccc(Cl)cc1
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(Cl)cc1 C[C@H](c1ccc(Cl)cc1)[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N[*:1])c1ccccc1
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)[*:1]
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)[*:1])c1ccc(Cl)cc1
O=C(c1ncoc1[C@@H]1CCCO1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] O=C(c1ncoc1[C@@H]1CCCO1)N1CCC(CC1)[*:1]
O=C(c1ncoc1[C@@H]1CCCO1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1ncoc1[C@@H]1CCCO1)N1CCC(CC1)OC[*:1]
O=C(c1ncoc1[C@@H]1CCCO1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(c1ncoc1[C@@H]1CCCO1)N1CCC(CC1)O[*:1]
CCN(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CCN(C)C(=O)CCCn1c(=O)oc2cc(ccc21)[*:1]
CCN(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 CCN(C)C(=O)C[*:1] O=c1oc2cc(ccc2n1CC[*:1])[N+](=O)[O-]
CCN(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 CCN(C)C(=O)[*:1] O=c1oc2cc(ccc2n1CCC[*:1])[N+](=O)[O-]
Cc1cc(Br)ccc1SCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 Cc1cc(Br)ccc1[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)CS[*:1]
Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N2CCc3ccccc32)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)N1CCc2ccccc21
Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(F)cc2)cc1 Cc1noc(C)c1[*:1] O=C(Nc1ccc(F)cc1)c1ccc(cc1)OC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N[*:1]
Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(F)cc2)cc1 Cc1noc(C)c1C[*:1] O=C(Nc1ccc(F)cc1)c1ccc(cc1)O[*:1]
C[C@H](O)c1ccc(S[C@@H]2CCOC3(CCCCC3)C2)cc1 C[C@H](O)[*:1] c1cc(ccc1S[C@@H]1CCOC2(CCCCC2)C1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H](N(C)C(=O)N[C@H](C)c1ccc(cc1)NC(=O)NC1CC1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H](C1CC1)N(C)C(=O)N[C@H](C)c1ccc(cc1)NC(=O)N[*:1]
C[C@@H](C1CC1)N(C)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 C[C@@H](C1CC1)[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@@H](C1CC1)N(C)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] C[C@@H](C1CC1)N(C)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccco1 FC(F)(F)[*:1] C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(ccc1Cl)[*:1])c1ccco1
C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(ccc1Cl)C(F)(F)F)[*:1]
Cc1cccc(N2CCN(c3ncnc(Nc4nc5ccccc5s4)c3N)CC2)c1C Cc1cccc(c1C)[*:1] Nc1c(ncnc1N1CCN(CC1)[*:1])Nc1nc2ccccc2s1
Cc1cccc(N2CCN(c3ncnc(Nc4nc5ccccc5s4)c3N)CC2)c1C c1ccc2sc(nc2c1)[*:1] Cc1cccc(c1C)N1CCN(CC1)c1ncnc(N[*:1])c1N
Cc1cccc(N2CCN(c3ncnc(Nc4nc5ccccc5s4)c3N)CC2)c1C c1ccc2sc(nc2c1)N[*:1] Cc1cccc(c1C)N1CCN(CC1)c1ncnc(c1N)[*:1]
CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CS(=O)(=O)N1N=C(C[C@@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CS(=O)(=O)N1N=C(C[C@@H]1c1cccc(c1)[*:1])c1ccccc1
C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc([S@@](C)=O)cc2)CC1=O C[S@@](=O)[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
CSCC[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 CSCC[C@@H](C)[*:1] O=C(N[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
CSCC[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 CSCC[*:1] C[C@@H](NC(=O)N1CC[C@@H](C1)[NH+]1CCCC1)[*:1]
CSCC[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 CSC[*:1] C[C@H](C[*:1])NC(=O)N1CC[C@@H](C1)[NH+]1CCCC1
Cc1cccc(C(=O)Nc2ccc(C)c(NC(=O)C3CC3)c2)c1 C1CC1[*:1] Cc1cccc(c1)C(=O)Nc1ccc(C)c(c1)NC(=O)[*:1]
Cc1cccc(C(=O)Nc2ccc(C)c(NC(=O)C3CC3)c2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)C1CC1)NC(=O)[*:1]
Cc1cccc(C(=O)Nc2ccc(C)c(NC(=O)C3CC3)c2)c1 O=C(N[*:1])C1CC1 Cc1cccc(c1)C(=O)Nc1ccc(C)c(c1)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] CC[C@H](C)C[C@@H](C)NC(=O)CNC(=O)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)o1 CC[C@H](C)C[*:1] C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)o1 CC[C@H](C)[*:1] C[C@H](C[*:1])NC(=O)CNC(=O)c1ccc(Br)o1
C[C@H]1CC[C@@H](C)N(C(=O)NCCOCC(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)NCCOC[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)NCCOCC(=O)[O-])C1 O=C([O-])COC[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)NC[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)NCCOCC(=O)[O-])C1 O=C([O-])C[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)NCCO[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)NCCOCC(=O)[O-])C1 O=C([O-])CO[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)NCC[*:1]
Cc1n[nH]c(CN(C)C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)n1 Cc1n[nH]c(n1)[*:1] CN(C[*:1])C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F
Cc1n[nH]c(CN(C)C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)n1 O=C([O-])[*:1] Cc1n[nH]c(CN(C)C(=O)N[C@](C)(C(F)(F)F)[*:1])n1
Cc1n[nH]c(CN(C)C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)n1 FC(F)(F)[*:1] Cc1n[nH]c(CN(C)C(=O)N[C@](C)(C(=O)[O-])[*:1])n1
Cc1n[nH]c(CN(C)C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)n1 Cc1n[nH]c(C[*:1])n1 CN(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)[*:1]
Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCCN(C1)[*:1]
Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 Cn1cc(C#N)cc1[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CCOC(=O)Cn1/c(=N/C(=O)c2cc3cccc(OC)c3o2)sc2cc(S(C)(=O)=O)ccc21 CCOC(=O)[*:1] COc1cccc2cc(oc12)C(=O)/N=c1\sc2cc(ccc2n1C[*:1])S(C)(=O)=O
CCOC(=O)Cn1/c(=N/C(=O)c2cc3cccc(OC)c3o2)sc2cc(S(C)(=O)=O)ccc21 CCOC(=O)C[*:1] COc1cccc2cc(oc12)C(=O)/N=c1\sc2cc(ccc2n1[*:1])S(C)(=O)=O
CCOC(=O)Cn1/c(=N/C(=O)c2cc3cccc(OC)c3o2)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] CCOC(=O)Cn1/c(=N/C(=O)c2cc3cccc(OC)c3o2)sc2cc(ccc21)[*:1]
CCOC(=O)Cn1/c(=N/C(=O)c2cc3cccc(OC)c3o2)sc2cc(S(C)(=O)=O)ccc21 COc1cccc2cc(oc12)[*:1] CCOC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
C[NH2+]C1CCC([NH+](C)CC(=O)NC(=O)NCC(C)C)CC1 CC(C)[*:1] C[NH2+]C1CCC(CC1)[NH+](C)CC(=O)NC(=O)NC[*:1]
C[NH2+]C1CCC([NH+](C)CC(=O)NC(=O)NCC(C)C)CC1 CC(C)C[*:1] C[NH2+]C1CCC(CC1)[NH+](C)CC(=O)NC(=O)N[*:1]
C#CCN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O C#CC[*:1] O=C1S/C(=C\c2cccc(c2)[N+](=O)[O-])C(=O)N1[*:1]
C#CCN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] C#CCN1C(=O)S/C(=C\c2cccc(c2)[*:1])C1=O
CCOCc1ccc(NC(=O)[C@@H](C)c2ccc3c(c2)OCCO3)cc1 CCOC[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])c1ccc2OCCOc2c1
CCOCc1ccc(NC(=O)[C@@H](C)c2ccc3c(c2)OCCO3)cc1 CCO[*:1] C[C@H](C(=O)Nc1ccc(cc1)C[*:1])c1ccc2OCCOc2c1
Nc1ccc2c(N[C@H](Cc3ccccc3)C3CC3)ncnc2n1 C1CC1[*:1] Nc1ccc2c(ncnc2n1)N[C@H](Cc1ccccc1)[*:1]
Nc1ccc2c(N[C@H](Cc3ccccc3)C3CC3)ncnc2n1 c1ccc(cc1)[*:1] Nc1ccc2c(ncnc2n1)N[C@H](C[*:1])C1CC1
Nc1ccc2c(N[C@H](Cc3ccccc3)C3CC3)ncnc2n1 c1ccc(cc1)C[*:1] Nc1ccc2c(ncnc2n1)N[C@H](C1CC1)[*:1]
CC(C)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1 CC(C)[*:1] C[C@H](NC(=O)NCc1cccc(c1)N[*:1])c1ccc2OCOc2c1
CC(C)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1 CC(C)N[*:1] C[C@H](NC(=O)NCc1cccc(c1)[*:1])c1ccc2OCOc2c1
CC(=O)Nc1ccc(-c2nc(Cn3cccn3)c(C)o2)cc1 c1cnn(c1)C[*:1] CC(=O)Nc1ccc(cc1)-c1nc(c(C)o1)[*:1]
CC(=O)Nc1ccc(-c2nc(Cn3cccn3)c(C)o2)cc1 c1cnn(c1)[*:1] CC(=O)Nc1ccc(cc1)-c1nc(C[*:1])c(C)o1
CC(=O)Nc1ccc(-c2nc(Cn3cccn3)c(C)o2)cc1 CC(=O)N[*:1] Cc1oc(nc1Cn1cccn1)-c1ccc(cc1)[*:1]
Cc1cncc(C(=O)NCCCCc2nc(C)cs2)c1 Cc1csc(n1)[*:1] Cc1cncc(c1)C(=O)NCCCC[*:1]
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)n1 Cc1ccnc(n1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1cc(Cl)ccc1Cl
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)n1 Clc1ccc(Cl)c(c1)[*:1] Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4nc(C)c(C)s4)C3)nn2)n1 Cc1cc(C)n(n1)[*:1] Cc1nc(NC(=O)[C@@H]2CCCN(C2)c2ccc(nn2)[*:1])sc1C
Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4nc(C)c(C)s4)C3)nn2)n1 Cc1nc(sc1C)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC[C@H](C1)C(=O)N[*:1]
COCCC(=O)NCc1cccc(NC(C)C)c1 COC[*:1] CC(C)Nc1cccc(c1)CNC(=O)C[*:1]
COCCC(=O)NCc1cccc(NC(C)C)c1 CC(C)N[*:1] COCCC(=O)NCc1cccc(c1)[*:1]
COCCC(=O)NCc1cccc(NC(C)C)c1 CC(C)[*:1] COCCC(=O)NCc1cccc(c1)N[*:1]
COCCC(=O)NCc1cccc(NC(C)C)c1 COCC[*:1] CC(C)Nc1cccc(c1)CNC(=O)[*:1]
O=C(COc1cccc2ccccc12)NN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccco1 c1ccc2c(cccc2c1)[*:1] O=C(CO[*:1])NN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccco1
O=C(COc1cccc2ccccc12)NN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(COc1cccc2ccccc12)NN1C(=O)c2cc(Br)ccc2N[C@@H]1[*:1]
CC[C@H]1CN(C(=O)CCCN2C(=O)CNC2=O)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@H]1[*:1])C(=O)CCCN1C(=O)CNC1=O
CC[C@H]1CN(C(=O)CCCN2C(=O)CNC2=O)CC[C@@H]1c1ccccc1 O=C1CNC(=O)N1C[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)CC[*:1]
CC[C@H]1CN(C(=O)CCCN2C(=O)CNC2=O)CC[C@@H]1c1ccccc1 O=C1CNC(=O)N1[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)CCC[*:1]
C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)sc2cc(F)ccc21 C#CC[*:1] O=C(/N=c1\sc2cc(F)ccc2n1[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)sc2cc(F)ccc21 Fc1ccc(cc1)[*:1] C#CCn1/c(=N/C(=O)[C@H]2CCCN(C2)S(=O)(=O)[*:1])sc2cc(F)ccc21
O=C1CCCc2cc(S(=O)(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)ccc2N1 C1CN(CCO1)[*:1] O=C1CCCc2cc(ccc2N1)S(=O)(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1c(NC(=O)CC2(O)CCCC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)CC1(O)CCCC1
Cc1c(NC(=O)CC2(O)CCCC2)cccc1[N+](=O)[O-] OC1(CCCC1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)C[*:1]
Cc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)COc2ccc(F)cc2)n(C)c(=O)n3C)cc1 Fc1ccc(cc1)OC[*:1] Cc1ccc(cc1)S(=O)(=O)c1cc2c(cc1NC(=O)[*:1])n(C)c(=O)n2C
Cc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)COc2ccc(F)cc2)n(C)c(=O)n3C)cc1 Fc1ccc(cc1)O[*:1] Cc1ccc(cc1)S(=O)(=O)c1cc2c(cc1NC(=O)C[*:1])n(C)c(=O)n2C
Cc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)COc2ccc(F)cc2)n(C)c(=O)n3C)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1cc2c(cc1NC(=O)CO[*:1])n(C)c(=O)n2C
Cc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)COc2ccc(F)cc2)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)COc1ccc(F)cc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)COc2ccc(F)cc2)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)COc1ccc(F)cc1)[*:1]
O=[N+]([O-])c1cnc(Br)s1 O=[N+]([O-])[*:1] Brc1ncc(s1)[*:1]
Cc1c([C@@H](C)[NH2+]Cc2nc(C3CC3)cs2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)[NH2+]Cc1nc(cs1)C1CC1
Cc1c([C@@H](C)[NH2+]Cc2nc(C3CC3)cs2)cnn1-c1ccccn1 c1sc(nc1C1CC1)[*:1] Cc1c(cnn1-c1ccccn1)[C@@H](C)[NH2+]C[*:1]
Cc1c([C@@H](C)[NH2+]Cc2nc(C3CC3)cs2)cnn1-c1ccccn1 C1CC1[*:1] Cc1c(cnn1-c1ccccn1)[C@@H](C)[NH2+]Cc1nc(cs1)[*:1]
CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 CC(=O)N[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] CC(=O)Nc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)[*:1]
CC[C@](C)(Nc1cccc(Cl)c1C(N)=O)C(=O)[O-] NC(=O)[*:1] CC[C@](C)(Nc1cccc(Cl)c1[*:1])C(=O)[O-]
CC[C@](C)(Nc1cccc(Cl)c1C(N)=O)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(Nc1cccc(Cl)c1C(N)=O)[*:1]
CCC[NH2+][C@H](C)c1ccccc1N1CC(C(C)(C)C)C1 CCC[*:1] C[C@@H]([NH2+][*:1])c1ccccc1N1CC(C1)C(C)(C)C
CCC[NH2+][C@H](C)c1ccccc1N1CC(C(C)(C)C)C1 CC(C)(C)[*:1] CCC[NH2+][C@H](C)c1ccccc1N1CC(C1)[*:1]
Cc1ccc(CN2CCN(C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)CC2)cc1 Cc1ccc(cc1)C[*:1] CS(=O)(=O)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(CN2CCN(C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)CC2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)C[*:1]
CCCCc1noc(CCC2CC[NH2+]CC2)n1 CCCC[*:1] C1CC(CC[NH2+]1)CCc1nc(no1)[*:1]
CCCCc1noc(CCC2CC[NH2+]CC2)n1 CCC[*:1] C1CC(CC[NH2+]1)CCc1nc(C[*:1])no1
Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2C[C@@H](C)O)o1 Cc1ccc(o1)[*:1] C[C@@H](O)C[C@H]1CCCN1C(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2C[C@@H](C)O)o1 C[C@@H](O)C[*:1] Cc1ccc(/C=C/C(=O)N2CCC[C@H]2[*:1])o1
Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2C[C@@H](C)O)o1 C[C@@H](O)[*:1] Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2C[*:1])o1
Cc1ccc(C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)o1 Cc1ccc(o1)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)[*:1]
Cc1ccc(C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)OCC(=O)Nc1c(C)nn(c1C)[*:1]
CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccc(OC)c(OC)c3)c2)C1 COc1ccc(cc1OC)[*:1] CCNC(=O)N1CCC[C@H](C1)c1cccc(c1)C(=O)NC[*:1]
C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@@H]([NH2+]C1CCN(CC1)c1cccc[nH+]1)c1nc2ccccc2n1[*:1]
Cc1noc(CCCC(=O)N[C@H](C)c2cn(C)nc2C)n1 Cc1nn(C)cc1[*:1] Cc1noc(CCCC(=O)N[C@H](C)[*:1])n1
Cc1noc(CCCC(=O)N[C@H](C)c2cn(C)nc2C)n1 Cc1noc(n1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)CCC[*:1]
Cc1noc(CCCC(=O)N[C@H](C)c2cn(C)nc2C)n1 Cc1noc(C[*:1])n1 Cc1nn(C)cc1[C@@H](C)NC(=O)CC[*:1]
CC(C)[C@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccccn1 Clc1cc(Cl)cc(c1)[*:1] CC(C)[C@H](NC(=O)C[C@@H](O)[*:1])c1ccccn1
CC(C)[C@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccccn1 CC(C)[*:1] O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[C@H](c1ccccn1)[*:1]
CC(C)[C@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)[*:1]
Cc1ccc2c(cnn2C(=O)CCC(=O)N[C@H](C)CCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc2c(cnn2C(=O)CCC(=O)N[C@H](C)CC[*:1])c1
Cc1ccc2c(cnn2C(=O)CCC(=O)N[C@H](C)CCc2ccccc2)c1 c1ccc(cc1)CC[*:1] Cc1ccc2c(cnn2C(=O)CCC(=O)N[C@H](C)[*:1])c1
Cc1ccc2c(cnn2C(=O)CCC(=O)N[C@H](C)CCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc2c(cnn2C(=O)CCC(=O)N[C@H](C)C[*:1])c1
N#Cc1c(NC(=O)C2(c3ccccc3)CCCC2)sc2c1CCCC2 c1ccc(cc1)[*:1] N#Cc1c(NC(=O)C2(CCCC2)[*:1])sc2CCCCc21
O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cc2ccccc2c2cccnc12 O=S(=O)(N[*:1])c1ccccc1 O=C(Nc1cccc(c1)[*:1])c1cc2ccccc2c2cccnc12
O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cc2ccccc2c2cccnc12 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NS(=O)(=O)[*:1])c1cc2ccccc2c2cccnc12
O=C(COc1ccc(F)c(F)c1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COc1ccc(F)c(F)c1)N[*:1]
COC(=O)C1(c2ccccc2)CC[NH+](CC(=O)Nc2ccc(SC)cc2)CC1 CSc1ccc(cc1)[*:1] COC(=O)C1(CC[NH+](CC1)CC(=O)N[*:1])c1ccccc1
COC(=O)C1(c2ccccc2)CC[NH+](CC(=O)Nc2ccc(SC)cc2)CC1 c1ccc(cc1)[*:1] COC(=O)C1(CC[NH+](CC1)CC(=O)Nc1ccc(cc1)SC)[*:1]
COC(=O)C1(c2ccccc2)CC[NH+](CC(=O)Nc2ccc(SC)cc2)CC1 COC(=O)[*:1] CSc1ccc(cc1)NC(=O)C[NH+]1CCC(CC1)(c1ccccc1)[*:1]
CCOC(=O)[C@@H]1[C@H](c2ccncc2)[C@@H](C#N)C(SCC(N)=O)=N[C@@]1(C)O NC(=O)C[*:1] CCOC(=O)[C@@H]1[C@H](c2ccncc2)[C@@H](C#N)C(=N[C@@]1(C)O)S[*:1]
CCOC(=O)[C@@H]1[C@H](c2ccncc2)[C@@H](C#N)C(SCC(N)=O)=N[C@@]1(C)O c1cc(ccn1)[*:1] CCOC(=O)[C@@H]1[C@H]([C@@H](C#N)C(=N[C@@]1(C)O)SCC(N)=O)[*:1]
CCOC(=O)[C@@H]1[C@H](c2ccncc2)[C@@H](C#N)C(SCC(N)=O)=N[C@@]1(C)O NC(=O)[*:1] CCOC(=O)[C@@H]1[C@H](c2ccncc2)[C@@H](C#N)C(=N[C@@]1(C)O)SC[*:1]
CCOC(=O)[C@@H]1[C@H](c2ccncc2)[C@@H](C#N)C(SCC(N)=O)=N[C@@]1(C)O CCOC(=O)[*:1] C[C@@]1(O)N=C(SCC(N)=O)[C@H](C#N)[C@@H](c2ccncc2)[C@H]1[*:1]
CCCCN(CCOC)C(=O)Nc1cnc2c(c1)c(C)nn2C COCC[*:1] CCCCN(C(=O)Nc1cnc2c(c1)c(C)nn2C)[*:1]
CCCCN(CCOC)C(=O)Nc1cnc2c(c1)c(C)nn2C CCC[*:1] COCCN(C[*:1])C(=O)Nc1cnc2c(c1)c(C)nn2C
CCCCN(CCOC)C(=O)Nc1cnc2c(c1)c(C)nn2C CCCC[*:1] COCCN(C(=O)Nc1cnc2c(c1)c(C)nn2C)[*:1]
CCCCN(CCOC)C(=O)Nc1cnc2c(c1)c(C)nn2C COC[*:1] CCCCN(C[*:1])C(=O)Nc1cnc2c(c1)c(C)nn2C
CC(C)(C)c1cnc(COc2cccc(Oc3ncccn3)c2)o1 CC(C)(C)[*:1] c1cnc(nc1)Oc1cccc(c1)OCc1ncc(o1)[*:1]
CC(C)(C)c1cnc(COc2cccc(Oc3ncccn3)c2)o1 c1cnc(nc1)[*:1] CC(C)(C)c1cnc(COc2cccc(c2)O[*:1])o1
CC(C)(C)c1cnc(COc2cccc(Oc3ncccn3)c2)o1 c1cnc(nc1)O[*:1] CC(C)(C)c1cnc(COc2cccc(c2)[*:1])o1
C[C@H](C(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1)n1cccn1 O[C@H](c1cccs1)[*:1] C[C@H](C(=O)N(Cc1ccccc1)C[*:1])n1cccn1
C[C@H](C(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1)[*:1]
C[C@H](C(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1)n1cccn1 c1ccc(cc1)C[*:1] C[C@H](C(=O)N(C[C@H](O)c1cccs1)[*:1])n1cccn1
C[C@H](C(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1)n1cccn1 O[C@@H](C[*:1])c1cccs1 C[C@H](C(=O)N(Cc1ccccc1)[*:1])n1cccn1
C[C@H](C(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1)n1cccn1 c1ccc(cc1)[*:1] C[C@H](C(=O)N(C[C@H](O)c1cccs1)C[*:1])n1cccn1
C[C@H](C(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1)n1cccn1 c1csc(c1)[*:1] C[C@H](C(=O)N(Cc1ccccc1)C[C@H](O)[*:1])n1cccn1
Cc1ccc(CN(C(=O)c2cccc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)C[*:1] Cc1cccc(c1)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(CN(C(=O)c2cccc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)CN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccc(CN(C(=O)c2cccc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(CC1CC1)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 C1CC1[*:1] C#CCN(C[*:1])C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1
C#CCN(CC1CC1)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 C1CC1C[*:1] C#CCN(C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)[*:1]
C#CCN(CC1CC1)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 C#CC[*:1] CN1C(=O)C[C@@H](NC(=O)N(CC2CC2)[*:1])[C@H]1c1ccc(Cl)cc1
C#CCN(CC1CC1)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C#CCN(CC1CC1)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1[*:1]
Cn1c(=O)n(CN2CCC(O)(C(F)(F)F)CC2)c2ccccc21 FC(F)(F)[*:1] Cn1c(=O)n(CN2CCC(O)(CC2)[*:1])c2ccccc21
Cc1ccoc1[C@H](C)[NH2+]Cc1cnc(OCC(C)C)c(Cl)c1 CC(C)CO[*:1] Cc1ccoc1[C@H](C)[NH2+]Cc1cnc(c(Cl)c1)[*:1]
Cc1ccoc1[C@H](C)[NH2+]Cc1cnc(OCC(C)C)c(Cl)c1 CC(C)C[*:1] Cc1ccoc1[C@H](C)[NH2+]Cc1cnc(O[*:1])c(Cl)c1
Cc1ccoc1[C@H](C)[NH2+]Cc1cnc(OCC(C)C)c(Cl)c1 CC(C)[*:1] Cc1ccoc1[C@H](C)[NH2+]Cc1cnc(OC[*:1])c(Cl)c1
Cc1ccoc1[C@H](C)[NH2+]Cc1cnc(OCC(C)C)c(Cl)c1 Cc1ccoc1[*:1] CC(C)COc1ncc(cc1Cl)C[NH2+][C@@H](C)[*:1]
Cc1nc2n(n1)CCC[C@H]2Nc1nc(C(C)C)ns1 CC(C)[*:1] Cc1nc2[C@@H](CCCn2n1)Nc1nc(ns1)[*:1]
CSc1nc(C)c(CCC(=O)O[C@H](C)c2nc(C)no2)c(C)n1 Cc1noc(n1)[*:1] CSc1nc(C)c(CCC(=O)O[C@H](C)[*:1])c(C)n1
Cc1nc2cc(NC(=O)C(=O)NCCCOC3CCCC3)ccc2n1C C1CCC(C1)OC[*:1] Cc1nc2cc(ccc2n1C)NC(=O)C(=O)NCC[*:1]
Cc1nc2cc(NC(=O)C(=O)NCCCOC3CCCC3)ccc2n1C C1CCC(C1)O[*:1] Cc1nc2cc(ccc2n1C)NC(=O)C(=O)NCCC[*:1]
Cc1nc2cc(NC(=O)C(=O)NCCCOC3CCCC3)ccc2n1C C1CCC(C1)[*:1] Cc1nc2cc(ccc2n1C)NC(=O)C(=O)NCCCO[*:1]
Cc1nc2cc(NC(=O)C(=O)NCCCOC3CCCC3)ccc2n1C C1CCC(C1)OCC[*:1] Cc1nc2cc(ccc2n1C)NC(=O)C(=O)NC[*:1]
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)CCc2cccc(F)c2F)c1 CNS(=O)(=O)[*:1] C[C@@H](NC(=O)CCc1cccc(F)c1F)c1cccc(c1)[*:1]
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)CCc2cccc(F)c2F)c1 Fc1cccc(c1F)[*:1] CNS(=O)(=O)c1cccc(c1)[C@@H](C)NC(=O)CC[*:1]
CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] CCNS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)[*:1]
CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 CCNS(=O)(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)[*:1]
NC(=O)[C@H]1CC[C@@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)O1 NC(=O)[*:1] Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CC[C@@H](O1)[*:1]
Cc1ccc(-c2n[nH]cc2CN2CCN([C@H](C)C(F)(F)F)CC2)o1 FC(F)(F)[*:1] Cc1ccc(o1)-c1n[nH]cc1CN1CCN(CC1)[C@H](C)[*:1]
Cc1ccc(-c2n[nH]cc2CN2CCN([C@H](C)C(F)(F)F)CC2)o1 Cc1ccc(o1)[*:1] C[C@@H](N1CCN(CC1)Cc1c[nH]nc1[*:1])C(F)(F)F
Cc1ccc(-c2n[nH]cc2CN2CCN([C@H](C)C(F)(F)F)CC2)o1 C[C@H](C(F)(F)F)[*:1] Cc1ccc(o1)-c1n[nH]cc1CN1CCN(CC1)[*:1]
COc1ccc(Cc2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)o2)cc1 COc1ccc(cc1)C[*:1] C[C@H]1CCC[C@@H](NC(=O)CSc2nnc(o2)[*:1])[C@@H]1C
COc1ccc(Cc2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)o2)cc1 COc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](NC(=O)CSc2nnc(C[*:1])o2)[C@@H]1C
CC(C)Cn1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c2c3ccccc3n(C)c2c1=O CC(C)C[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1cn(c(=O)c2c1c1ccccc1n2C)[*:1]
CC(C)Cn1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c2c3ccccc3n(C)c2c1=O CC(C)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1cn(C[*:1])c(=O)c2c1c1ccccc1n2C
COCc1nc(C)cc(N[C@H](C)c2cccc(C#N)c2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N[C@H](C)c1cccc(C#N)c1
Cc1c([O-])nn(CCCCCS)c(=O)c1C SCCC[*:1] Cc1c([O-])nn(CC[*:1])c(=O)c1C
Cc1c([O-])nn(CCCCCS)c(=O)c1C SCC[*:1] Cc1c([O-])nn(CCC[*:1])c(=O)c1C
Cc1c([O-])nn(CCCCCS)c(=O)c1C SCCCC[*:1] Cc1c([O-])nn(C[*:1])c(=O)c1C
CC(C)C[C@@H](C[NH3+])c1nc(Cc2cccc(F)c2)no1 CC(C)C[*:1] [NH3+]C[C@@H](c1nc(Cc2cccc(F)c2)no1)[*:1]
CC(C)C[C@@H](C[NH3+])c1nc(Cc2cccc(F)c2)no1 CC(C)[*:1] [NH3+]C[C@H](C[*:1])c1nc(Cc2cccc(F)c2)no1
COc1ccc(-c2nnc(C[S@@](=O)Cc3ncoc3C(C)C)o2)cc1 COc1ccc(cc1)[*:1] CC(C)c1ocnc1C[S@](=O)Cc1nnc(o1)[*:1]
COc1ccc(-c2nnc(C[S@@](=O)Cc3ncoc3C(C)C)o2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nnc(C[S@@](=O)Cc2ncoc2[*:1])o1
Cc1cc(C[C@H](C)[NH2+][C@H](C)C(C)C)n[nH]1 CC(C)[C@@H](C)[*:1] Cc1cc(C[C@H](C)[NH2+][*:1])n[nH]1
Cc1cc(C[C@H](C)[NH2+][C@H](C)C(C)C)n[nH]1 CC(C)[*:1] Cc1cc(C[C@H](C)[NH2+][C@H](C)[*:1])n[nH]1
CNC(=S)N(Cc1ccc(Br)cc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CNC(=S)N(Cc1ccc(Br)cc1)[*:1]
CNC(=S)N(Cc1ccc(Br)cc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CNC(=S)N(Cc1ccc(Br)cc1)C[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)Nc1ccc(C)c(-c2ncco2)c1 c1coc(n1)[*:1] COC(=O)[C@H]1CCCCC[C@H]1NC(=O)Nc1ccc(C)c(c1)[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)Nc1ccc(C)c(-c2ncco2)c1 COC(=O)[*:1] Cc1ccc(cc1-c1ncco1)NC(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
CC[C@@H](C)[C@@H](C)NC(=O)N(C)[C@@H](C)CCSC CSCC[*:1] CC[C@@H](C)[C@@H](C)NC(=O)N(C)[C@@H](C)[*:1]
CC[C@@H](C)[C@@H](C)NC(=O)N(C)[C@@H](C)CCSC CSC[*:1] CC[C@@H](C)[C@@H](C)NC(=O)N(C)[C@@H](C)C[*:1]
CC[C@@H](C)[C@@H](C)NC(=O)N(C)[C@@H](C)CCSC CC[C@@H](C)[*:1] CSCC[C@H](C)N(C)C(=O)N[C@H](C)[*:1]
COc1ccc(F)cc1C(=O)NCCOc1cccnc1 c1cncc(c1)[*:1] COc1ccc(F)cc1C(=O)NCCO[*:1]
COc1ccc(F)cc1C(=O)NCCOc1cccnc1 c1cncc(c1)O[*:1] COc1ccc(F)cc1C(=O)NCC[*:1]
CC(=O)NNC(=O)CSC[C@@H]([NH3+])C(=O)[O-] O=C([O-])[*:1] CC(=O)NNC(=O)CSC[C@@H]([NH3+])[*:1]
CN(CCS(C)(=O)=O)C(=O)CCC1CCC([NH3+])CC1 CS(=O)(=O)CC[*:1] CN(C(=O)CCC1CCC([NH3+])CC1)[*:1]
CN(CCS(C)(=O)=O)C(=O)CCC1CCC([NH3+])CC1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)CCC1CCC([NH3+])CC1
CN(CCS(C)(=O)=O)C(=O)CCC1CCC([NH3+])CC1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)CCC1CCC([NH3+])CC1
COCc1ccc(-c2ccc(OC3CCN(c4nccc(OC)n4)CC3)cc2)cc1 COC[*:1] COc1ccnc(n1)N1CCC(CC1)Oc1ccc(cc1)-c1ccc(cc1)[*:1]
COCc1ccc(-c2ccc(OC3CCN(c4nccc(OC)n4)CC3)cc2)cc1 COc1ccnc(n1)[*:1] COCc1ccc(cc1)-c1ccc(cc1)OC1CCN(CC1)[*:1]
COCc1ccc(-c2ccc(OC3CCN(c4nccc(OC)n4)CC3)cc2)cc1 COCc1ccc(cc1)[*:1] COc1ccnc(n1)N1CCC(CC1)Oc1ccc(cc1)[*:1]
CC(C)[C@@H](C)N(C(=O)NCc1cccc(-n2ccnc2)c1)C1CC1 C1CC1[*:1] CC(C)[C@@H](C)N(C(=O)NCc1cccc(c1)-n1ccnc1)[*:1]
CC(C)[C@@H](C)N(C(=O)NCc1cccc(-n2ccnc2)c1)C1CC1 CC(C)[*:1] C[C@@H](N(C(=O)NCc1cccc(c1)-n1ccnc1)C1CC1)[*:1]
CC(C)[C@@H](C)N(C(=O)NCc1cccc(-n2ccnc2)c1)C1CC1 c1cn(cn1)[*:1] CC(C)[C@@H](C)N(C(=O)NCc1cccc(c1)[*:1])C1CC1
CC[C@@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N O=[N+]([O-])[*:1] CC[C@@H](C)[C@@H](C)Nc1ccc(cc1C#N)[*:1]
CC[C@@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N CC[C@@H](C)[*:1] C[C@@H](Nc1ccc(cc1C#N)[N+](=O)[O-])[*:1]
CCO[C@H](CCNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)C(C)C CC(C)[*:1] CCO[C@H](CCNC(=O)N1CCC[C@@H](C1)c1nc2ccccc2o1)[*:1]
CCO[C@H](CCNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)C(C)C c1ccc2oc(nc2c1)[*:1] CCO[C@H](CCNC(=O)N1CCC[C@H](C1)[*:1])C(C)C
CCO[C@H](CCNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)C(C)C CCO[*:1] CC(C)[C@@H](CCNC(=O)N1CCC[C@@H](C1)c1nc2ccccc2o1)[*:1]
O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl Fc1cccc(c1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl
O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl C1CN(CCO1)[*:1] O=C(NC[C@H](c1cccc(F)c1)[*:1])[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl
O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1C[C@H]1[*:1]
NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(-n2ccnn2)cc1 c1ccc(cc1)C[*:1] NC(=O)CN(C(=O)c1ccc(cc1)-n1ccnn1)[*:1]
NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(-n2ccnn2)cc1 NC(=O)[*:1] O=C(c1ccc(cc1)-n1ccnn1)N(Cc1ccccc1)C[*:1]
NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(cc1)[*:1]
NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(-n2ccnn2)cc1 NC(=O)C[*:1] O=C(c1ccc(cc1)-n1ccnn1)N(Cc1ccccc1)[*:1]
NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(-n2ccnn2)cc1 c1ccc(cc1)[*:1] NC(=O)CN(C[*:1])C(=O)c1ccc(cc1)-n1ccnn1
CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCC3CCCCC3)C1)C2=O C1CCC(CC1)[*:1] CCC(=O)N1CCC2(CC1)NC(=O)N(C2=O)[C@H]1CCCN(C1)C(=O)CC[*:1]
CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCC3CCCCC3)C1)C2=O C1CCC(CC1)CC[*:1] CCC(=O)N1CCC2(CC1)NC(=O)N(C2=O)[C@H]1CCCN(C1)C(=O)[*:1]
CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCC3CCCCC3)C1)C2=O C1CCC(CC1)C[*:1] CCC(=O)N1CCC2(CC1)NC(=O)N(C2=O)[C@H]1CCCN(C1)C(=O)C[*:1]
CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc(OC)cc3)oc12 CCO[*:1] COc1ccc(cc1)S(=O)(=O)N[C@@H](C)c1cc2cccc(c2o1)[*:1]
CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc(OC)cc3)oc12 COc1ccc(cc1)[*:1] CCOc1cccc2cc(oc12)[C@H](C)NS(=O)(=O)[*:1]
CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3cc(C)ccc3C)oc12 CCO[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)N[C@H](C)c1cc2cccc(c2o1)[*:1]
CCOc1cccc2cc([C@@H](C)NC(=O)C(=O)Nc3cc(C)ccc3C)oc12 Cc1ccc(C)c(c1)[*:1] CCOc1cccc2cc(oc12)[C@@H](C)NC(=O)C(=O)N[*:1]
C[C@H](OC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](OC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1ccc(C)cc1CN(C)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 O=C1CNC(=O)N1C[*:1] COc1ccc(C)cc1CN(C)C(=O)c1ccc(cc1)[*:1]
COc1ccc(C)cc1CN(C)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 COc1ccc(C)cc1[*:1] CN(C[*:1])C(=O)c1ccc(cc1)CN1C(=O)CNC1=O
COc1ccc(C)cc1CN(C)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 O=C1CNC(=O)N1[*:1] COc1ccc(C)cc1CN(C)C(=O)c1ccc(cc1)C[*:1]
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(C)C)n2)c1 COc1cccc(c1)[*:1] CC(C)c1ccccc1N/C=C(\C#N)c1nc(cs1)[*:1]
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(C)C)n2)c1 CC(C)c1ccccc1[*:1] COc1cccc(c1)-c1csc(n1)/C(C#N)=C/N[*:1]
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(C)C)n2)c1 CC(C)[*:1] COc1cccc(c1)-c1csc(n1)/C(C#N)=C/Nc1ccccc1[*:1]
O=C([C@@H]1CCCO1)N1CCN(C(=S)Nc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)C(=S)N[*:1]
CCNS(=O)(=O)[C@H]1CCN(CCSc2ccccc2)C1 c1ccc(cc1)[*:1] CCNS(=O)(=O)[C@H]1CCN(CCS[*:1])C1
CCNS(=O)(=O)[C@H]1CCN(CCSc2ccccc2)C1 CCNS(=O)(=O)[*:1] c1ccc(cc1)SCCN1CC[C@@H](C1)[*:1]
O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCC[C@H](Cn2ccnn2)C1 c1cn(C[*:1])nn1 O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCC[C@H](C1)[*:1]
O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCC[C@H](Cn2ccnn2)C1 c1cn(nn1)[*:1] O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCC[C@@H](C1)C[*:1]
Cc1ccccc1CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccc(Cl)cc1 Cc1ccccc1C[*:1] O=C1C2=CN=NC2=N[C@H](S[*:1])N1c1ccc(Cl)cc1
Cc1ccccc1CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccc(Cl)cc1 Cc1ccccc1[*:1] O=C1C2=CN=NC2=N[C@H](SC[*:1])N1c1ccc(Cl)cc1
Cc1ccccc1CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1CS[C@H]1N=C2N=NC=C2C(=O)N1[*:1]
[NH3+][C@]1(C(=O)[O-])CCC[C@@H](Oc2ccccc2F)C1 O=C([O-])[*:1] [NH3+][C@@]1(CCC[C@H](C1)Oc1ccccc1F)[*:1]
CCS[C@@H](C(=O)N1CCC(NC(C)=O)CC1)C(C)C CC(=O)N[*:1] CCS[C@@H](C(=O)N1CCC(CC1)[*:1])C(C)C
CCS[C@@H](C(=O)N1CCC(NC(C)=O)CC1)C(C)C CCS[*:1] CC(=O)NC1CCN(CC1)C(=O)[C@@H](C(C)C)[*:1]
CCS[C@@H](C(=O)N1CCC(NC(C)=O)CC1)C(C)C CC(C)[*:1] CCS[C@@H](C(=O)N1CCC(CC1)NC(C)=O)[*:1]
CC(=O)C1=C(Nc2ccccc2C)CCC1=O CC(=O)[*:1] Cc1ccccc1NC1CCC(=O)C=1[*:1]
COC1CCN(C(=O)NC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] COC1CCN(CC1)C(=O)NC[*:1]
Cc1cc(C)nc(Nc2nc3n(n2)C2(CCCCC2)Nc2ccccc2-3)n1 Cc1cc(C)nc(n1)N[*:1] c1ccc2c(c1)NC1(CCCCC1)n1nc(nc1-2)[*:1]
Cc1cc(C)nc(Nc2nc3n(n2)C2(CCCCC2)Nc2ccccc2-3)n1 Cc1cc(C)nc(n1)[*:1] c1ccc2c(c1)NC1(CCCCC1)n1nc(nc1-2)N[*:1]
Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)no1 Cc1ccccc1[*:1] Cc1cc(no1)C(=O)N1CCC[C@H](C1)N1CCN(CC1)[*:1]
Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)no1 Cc1cc(no1)[*:1] Cc1ccccc1N1CCN(CC1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cn1ncnc1CCNC(=O)N[C@H]1C[C@H]1C1CCCCC1 Cn1ncnc1C[*:1] O=C(NC[*:1])N[C@H]1C[C@H]1C1CCCCC1
Cn1ncnc1CCNC(=O)N[C@H]1C[C@H]1C1CCCCC1 Cn1ncnc1[*:1] O=C(NCC[*:1])N[C@H]1C[C@H]1C1CCCCC1
Cn1ncnc1CCNC(=O)N[C@H]1C[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] Cn1ncnc1CCNC(=O)N[C@H]1C[C@@H]1[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)NCc1ncnn1C Cn1ncnc1[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)NC[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)NCc1ncnn1C Cn1ncnc1C[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)N[*:1]
CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1ccc(F)cc1)C2=O Fc1ccc(cc1)C[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC(=O)N[*:1])CC=21)c1ccccc1Cl
CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1ccc(F)cc1)C2=O Clc1ccccc1[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC(=O)NCc3ccc(F)cc3)CC=21)[*:1]
CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1ccc(F)cc1)C2=O Fc1ccc(cc1)[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC(=O)NC[*:1])CC=21)c1ccccc1Cl
Cc1cccc2[nH+]c(CN(C)[C@@H](C)c3cccnc3)cn12 c1cncc(c1)[*:1] Cc1cccc2[nH+]c(cn12)CN(C)[C@@H](C)[*:1]
CCCn1cc(-c2cc(C(=O)NC3CCOCC3)c3cc(F)ccc3n2)cn1 CCCn1cc(cn1)[*:1] O=C(NC1CCOCC1)c1cc(nc2ccc(F)cc12)[*:1]
CCCn1cc(-c2cc(C(=O)NC3CCOCC3)c3cc(F)ccc3n2)cn1 CCC[*:1] O=C(NC1CCOCC1)c1cc(nc2ccc(F)cc12)-c1cnn(c1)[*:1]
CCCn1cc(-c2cc(C(=O)NC3CCOCC3)c3cc(F)ccc3n2)cn1 C1CC(CCO1)[*:1] CCCn1cc(cn1)-c1cc(C(=O)N[*:1])c2cc(F)ccc2n1
CCCn1cc(-c2cc(C(=O)NC3CCOCC3)c3cc(F)ccc3n2)cn1 O=C(NC1CCOCC1)[*:1] CCCn1cc(cn1)-c1cc(c2cc(F)ccc2n1)[*:1]
Cc1cccc([C@H](NC(=O)Cc2ccc[nH]2)C(C)(C)C)c1 c1c[nH]c(c1)C[*:1] Cc1cccc(c1)[C@H](NC(=O)[*:1])C(C)(C)C
Cc1cccc([C@H](NC(=O)Cc2ccc[nH]2)C(C)(C)C)c1 c1c[nH]c(c1)[*:1] Cc1cccc(c1)[C@H](NC(=O)C[*:1])C(C)(C)C
Cc1cccc([C@H](NC(=O)Cc2ccc[nH]2)C(C)(C)C)c1 Cc1cccc(c1)[*:1] CC(C)(C)[C@@H](NC(=O)Cc1ccc[nH]1)[*:1]
Cc1cccc([C@H](NC(=O)Cc2ccc[nH]2)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@H](NC(=O)Cc1ccc[nH]1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H](C)Cc2cccc(F)c2)C1 CCNS(=O)(=O)[*:1] C[C@@H](CC(=O)N1CC[C@H](C1)[*:1])Cc1cccc(F)c1
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H](C)Cc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)C[C@H](C)C[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H](C)Cc2cccc(F)c2)C1 Fc1cccc(c1)C[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)C[C@H](C)[*:1]
O=C(COc1ccc(Cl)c2ccccc12)NCC(F)(F)F FC(F)(F)C[*:1] O=C(COc1ccc(Cl)c2ccccc12)N[*:1]
O=C(COc1ccc(Cl)c2ccccc12)NCC(F)(F)F FC(F)(F)[*:1] O=C(COc1ccc(Cl)c2ccccc12)NC[*:1]
C[C@@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C(=O)[O-] C[C@@H](C(=O)[O-])[*:1] O=C(N[*:1])[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
C[C@@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[*:1]
CCCn1c(CCCNC(=O)c2ccc(C)cc2)nc2ccccc21 CCC[*:1] Cc1ccc(cc1)C(=O)NCCCc1nc2ccccc2n1[*:1]
CCCn1c(CCCNC(=O)c2ccc(C)cc2)nc2ccccc21 Cc1ccc(cc1)[*:1] CCCn1c(CCCNC(=O)[*:1])nc2ccccc21
CCN(C[C@H](C)C#N)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C CC(C)C[*:1] CCN(C[C@H](C)C#N)C(=O)Nc1ccc(cc1C)C(=O)N[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C CC(C)[*:1] CCN(C[C@H](C)C#N)C(=O)Nc1ccc(cc1C)C(=O)NC[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C CC(C)CNC(=O)[*:1] CCN(C[C@H](C)C#N)C(=O)Nc1ccc(cc1C)[*:1]
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1Cl Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)[*:1])Nc1ccc(F)cc1Cl
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C(CN1CCN(CC1)c1ccc(F)cc1)N[*:1]
O=C([C@H]1CCCN(c2nc3cccnc3s2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 c1cnc2sc(nc2c1)[*:1] O=C([C@H]1CCCN(C1)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C([C@H]1CCCN(c2nc3cccnc3s2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C([C@H]1CCCN(C1)c1nc2cccnc2s1)N1CCN(CC1)c1cccc(c1)[*:1]
O=C([C@H]1CCCN(c2nc3cccnc3s2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C([C@H]1CCCN(C1)c1nc2cccnc2s1)N1CCN(CC1)[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)c1cscn1 CC(=O)[*:1] O=C(c1cscn1)N1CCCC[C@@H]1C[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)c1cscn1 c1nc(cs1)[*:1] CC(=O)C[C@H]1CCCCN1C(=O)[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)c1cscn1 CC(=O)C[*:1] O=C(c1cscn1)N1CCCC[C@@H]1[*:1]
CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1C[C@H]1[*:1]
CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 C1CN(CCO1)C[*:1] CN(C[C@H](O)[*:1])C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1
CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 C1CN(CCO1)[*:1] CN(C[C@H](O)C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1
CCOC(=O)[C@]1(N)CC[C@@H](n2ccnc2-c2cccs2)C1 c1csc(c1)[*:1] CCOC(=O)[C@]1(N)CC[C@H](C1)n1ccnc1[*:1]
CCOC(=O)[C@]1(N)CC[C@@H](n2ccnc2-c2cccs2)C1 CCOC(=O)[*:1] N[C@@]1(CC[C@H](C1)n1ccnc1-c1cccs1)[*:1]
Cc1cccc(C2=CCN(C(=O)c3cccnc3-n3cccn3)CC2)c1 Cc1cccc(c1)[*:1] O=C(c1cccnc1-n1cccn1)N1CC=C(CC1)[*:1]
Cc1cccc(C2=CCN(C(=O)c3cccnc3-n3cccn3)CC2)c1 c1cnn(c1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)c1cccnc1[*:1]
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2nc3cccnc3s2)C1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nc2cccnc2s1
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2nc3cccnc3s2)C1 c1cnc2sc(nc2c1)[*:1] O=C(Nc1ccc2OCOc2c1)[C@@H]1CCCN(C1)[*:1]
CN1C(=O)C[C@@H](COC(=O)/C=C/c2ccco2)[C@H]1c1cccc(Cl)c1 C(=C[*:1])c1ccco1 CN1C(=O)C[C@@H](COC(=O)[*:1])[C@H]1c1cccc(Cl)c1
CN1C(=O)C[C@@H](COC(=O)/C=C/c2ccco2)[C@H]1c1cccc(Cl)c1 c1coc(c1)[*:1] CN1C(=O)C[C@@H](COC(=O)C=C[*:1])[C@H]1c1cccc(Cl)c1
CN1C(=O)C[C@@H](COC(=O)/C=C/c2ccco2)[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN1C(=O)C[C@@H](COC(=O)/C=C/c2ccco2)[C@@H]1[*:1]
CS[C@H](C)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 CS[C@H](C)C(=O)N[*:1] CN(C(=O)Cc1ccc(cc1)[*:1])c1ccccc1
CS[C@H](C)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CS[C@H](C)C(=O)Nc1ccc(cc1)CC(=O)N(C)[*:1]
O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 Clc1cccc(Cl)c1[*:1] O=S(=O)(N1CCN(CC1)Cc1ncc(o1)-c1ccc(F)cc1)[*:1]
O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(CC1)Cc1ncc(o1)[*:1]
CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OC)cc2)nc1C COc1ccc(cc1)[*:1] CCOC(=O)c1sc(nc1C)N1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OC)cc2)nc1C CCOC(=O)c1sc(nc1C)[*:1] COc1ccc(cc1)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OC)cc2)nc1C CCOC(=O)[*:1] COc1ccc(cc1)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1nc(C)c(s1)[*:1]
Cc1cc(Sc2nnnn2-c2ccc(C(C)C)cc2)n2ncnc2n1 CC(C)[*:1] Cc1cc(Sc2nnnn2-c2ccc(cc2)[*:1])n2ncnc2n1
CC(C)c1ccccc1-n1ccnc1SCC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC(C)c1ccccc1-n1ccnc1SCC(=O)N[*:1]
CC(C)c1ccccc1-n1ccnc1SCC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(C)c1ccccc1-n1ccnc1SCC(=O)NC[*:1]
CC(C)c1ccccc1-n1ccnc1SCC(=O)NC[C@@H]1CCCO1 CC(C)[*:1] O=C(CSc1nccn1-c1ccccc1[*:1])NC[C@@H]1CCCO1
CCn1c(=O)c([N+](=O)[O-])c(N2CCCCCC2)c2ccccc21 C1CCCN(CC1)[*:1] CCn1c(=O)c(c(c2ccccc21)[*:1])[N+](=O)[O-]
CCn1c(=O)c([N+](=O)[O-])c(N2CCCCCC2)c2ccccc21 O=[N+]([O-])[*:1] CCn1c(=O)c(c(c2ccccc21)N1CCCCCC1)[*:1]
CC[C@H](C)[C@@H]1CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[NH2+]1 CC[C@H](C)[*:1] CS(=O)(=O)N1CCC[C@@H](CN2CC[NH2+][C@@H](C2)[*:1])C1
Cc1ccc(-c2nc(CNC(=O)NCc3ccnn3C)co2)cc1 Cc1ccc(cc1)[*:1] Cn1nccc1CNC(=O)NCc1coc(n1)[*:1]
Cc1ccc(-c2nc(CNC(=O)NCc3ccnn3C)co2)cc1 Cn1nccc1[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)NC[*:1]
Cc1ccc(-c2nc(CNC(=O)NCc3ccnn3C)co2)cc1 Cn1nccc1C[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)N[*:1]
C=CCOC(=O)c1ccc(NC(C)=O)cc1 CC(=O)N[*:1] C=CCOC(=O)c1ccc(cc1)[*:1]
C=CCOC(=O)c1ccc(NC(C)=O)cc1 C=CC[*:1] CC(=O)Nc1ccc(cc1)C(=O)O[*:1]
CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)CCc2ccccc2O)cc1 CC(C)c1ccc(cc1)[*:1] O=C(CCc1ccccc1O)NNC(=O)[C@H]1C[C@@H]1[*:1]
CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)CCc2ccccc2O)cc1 Oc1ccccc1C[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NNC(=O)C[*:1]
CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)CCc2ccccc2O)cc1 Oc1ccccc1CC[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NNC(=O)[*:1]
CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)CCc2ccccc2O)cc1 Oc1ccccc1[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NNC(=O)CC[*:1]
CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)CCc2ccccc2O)cc1 CC(C)[*:1] O=C(CCc1ccccc1O)NNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)[*:1]
COc1ccccc1[C@@H]1C[C@@H](c2ccccc2Cl)Nc2ncnn21 Clc1ccccc1[*:1] COc1ccccc1[C@@H]1C[C@@H](Nc2ncnn21)[*:1]
COc1ccccc1[C@@H]1C[C@@H](c2ccccc2Cl)Nc2ncnn21 COc1ccccc1[*:1] Clc1ccccc1[C@@H]1C[C@H](n2ncnc2N1)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1cn(Cc2cccnc2)nn1 N#CC[*:1] C[C@@H](N(C)C(=O)c1cn(Cc2cccnc2)nn1)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)[*:1] C[C@@H](CC#N)N(C)C(=O)c1cn(C[*:1])nn1
C[C@@H](CC#N)N(C)C(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)C[*:1] C[C@@H](CC#N)N(C)C(=O)c1cn(nn1)[*:1]
COC(=O)COc1c(C)cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1C N#Cc1ccc(cc1)[*:1] COC(=O)COc1c(C)cc(cc1C)C(=O)N[C@H](C)[*:1]
COC(=O)COc1c(C)cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1C COC(=O)CO[*:1] Cc1cc(cc(C)c1[*:1])C(=O)N[C@H](C)c1ccc(C#N)cc1
COC(=O)COc1c(C)cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1C COC(=O)[*:1] Cc1cc(cc(C)c1OC[*:1])C(=O)N[C@H](C)c1ccc(C#N)cc1
COC(=O)COc1c(C)cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1C COC(=O)C[*:1] Cc1cc(cc(C)c1O[*:1])C(=O)N[C@H](C)c1ccc(C#N)cc1
C[C@H](NC(=O)c1cn(-c2ccc3c(c2)OCCO3)nn1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](NC(=O)c1cn(nn1)-c1ccc2OCCOc2c1)[*:1]
C[C@H](NC(=O)c1cn(-c2ccc3c(c2)OCCO3)nn1)c1ccc(Br)cc1 C[C@H](c1ccc(Br)cc1)[*:1] O=C(N[*:1])c1cn(nn1)-c1ccc2OCCOc2c1
COC(=O)C1(NC(=O)Cc2ccc(-n3nc(C)cc3C)cc2)CCCCC1 Cc1cc(C)n(n1)[*:1] COC(=O)C1(CCCCC1)NC(=O)Cc1ccc(cc1)[*:1]
COC(=O)C1(NC(=O)Cc2ccc(-n3nc(C)cc3C)cc2)CCCCC1 COC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)CC(=O)NC1(CCCCC1)[*:1]
Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C#N)c3ccccc3C)cc2)n1 Cc1cc(C)n(n1)[*:1] Cc1ccccc1[C@@H](C#N)NC(=O)c1ccc(cc1)C[*:1]
Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C#N)c3ccccc3C)cc2)n1 Cc1cc(C)n(C[*:1])n1 Cc1ccccc1[C@@H](C#N)NC(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C#N)c3ccccc3C)cc2)n1 Cc1ccccc1[*:1] Cc1cc(C)n(Cc2ccc(cc2)C(=O)N[C@H](C#N)[*:1])n1
C[NH+]1CCCn2nc(C(=O)N3CCN(Cc4ccc(F)cc4)C(=O)C3)cc2C1 Fc1ccc(cc1)[*:1] C[NH+]1CCCn2nc(cc2C1)C(=O)N1CCN(C[*:1])C(=O)C1
C[NH+]1CCCn2nc(C(=O)N3CCN(Cc4ccc(F)cc4)C(=O)C3)cc2C1 Fc1ccc(cc1)C[*:1] C[NH+]1CCCn2nc(cc2C1)C(=O)N1CCN(C(=O)C1)[*:1]
CCCS(=O)(=O)c1nc2ncc(Cl)cc2s1 CCC[*:1] O=S(=O)(c1nc2ncc(Cl)cc2s1)[*:1]
Cc1ccnc(NNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1 Cc1ccnc(c1)[*:1] O=C(NN[*:1])c1ccc(s1)-c1ccc(Cl)cc1
Cc1ccnc(NNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1 Clc1ccc(cc1)[*:1] Cc1ccnc(c1)NNC(=O)c1ccc(s1)[*:1]
C[C@@H](CCCO)NC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 OCC[*:1] C[C@@H](C[*:1])NC(=O)Nc1cccc(c1)Cn1nc2ccccn2c1=O
C[C@@H](CCCO)NC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 OCCC[*:1] C[C@@H](NC(=O)Nc1cccc(c1)Cn1nc2ccccn2c1=O)[*:1]
CCN(C[C@H]1CCOC1)C(=O)c1cn2ccccc2n1 C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)c1cn2ccccc2n1
CCN(C[C@H]1CCOC1)C(=O)c1cn2ccccc2n1 C1C[C@@H](CO1)C[*:1] CCN(C(=O)c1cn2ccccc2n1)[*:1]
Cc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N1CCN(CC1)CC[NH+]1CCCC1)[*:1]
COc1ccc2[nH]cc(C(C)=O)c(=O)c2c1 CC(=O)[*:1] COc1ccc2[nH]cc(c(=O)c2c1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc(Br)cn2C)C1 COC(=O)C(C)(C)[*:1] Cn1cc(Br)cc1C(=O)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc(Br)cn2C)C1 COC(=O)[*:1] Cn1cc(Br)cc1C(=O)N1CCC[C@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc(Br)cn2C)C1 Cn1cc(Br)cc1[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1c(-c2ccccc2)[nH+]c2c(c(C)c(C)n2CCN2CCOCC2)c1N c1ccc(cc1)[*:1] Cc1c([nH+]c2c(c(C)c(C)n2CCN2CCOCC2)c1N)[*:1]
Cc1c(-c2ccccc2)[nH+]c2c(c(C)c(C)n2CCN2CCOCC2)c1N C1CN(CCO1)CC[*:1] Cc1c([nH+]c2c(c(C)c(C)n2[*:1])c1N)-c1ccccc1
Cc1c(-c2ccccc2)[nH+]c2c(c(C)c(C)n2CCN2CCOCC2)c1N C1CN(CCO1)C[*:1] Cc1c([nH+]c2c(c(C)c(C)n2C[*:1])c1N)-c1ccccc1
Cc1c(-c2ccccc2)[nH+]c2c(c(C)c(C)n2CCN2CCOCC2)c1N C1CN(CCO1)[*:1] Cc1c([nH+]c2c(c(C)c(C)n2CC[*:1])c1N)-c1ccccc1
Cc1c(CCC(=O)N2CCN(c3nsc4ccccc34)CC2)c(=O)oc2c(C)c(O)ccc12 c1ccc2c(nsc2c1)[*:1] Cc1c(CCC(=O)N2CCN(CC2)[*:1])c(=O)oc2c(C)c(O)ccc12
COC[C@H](C)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 COC[*:1] C[C@H](Nc1nc(cs1)-c1cccc(c1)C(F)(F)F)[*:1]
COC[C@H](C)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 COC[C@H](C)N[*:1] FC(F)(F)c1cccc(c1)-c1csc(n1)[*:1]
COC[C@H](C)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 COC[C@H](C)[*:1] FC(F)(F)c1cccc(c1)-c1csc(n1)N[*:1]
COC[C@H](C)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 FC(F)(F)[*:1] COC[C@H](C)Nc1nc(cs1)-c1cccc(c1)[*:1]
Cc1ccc(NC(=O)Cn2cnc3cc(-c4ccccc4)sc3c2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(Cn1cnc2cc(sc2c1=O)-c1ccccc1)N[*:1]
Cc1ccc(NC(=O)Cn2cnc3cc(-c4ccccc4)sc3c2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)Cn1cnc2cc(sc2c1=O)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 O=C(N[*:1])c1ccoc1 C[C@H](C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
O=C(NCCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O)c1ccc2c(c1)OCCO2 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NCCN1C(=O)SC(=C[*:1])C1=O)c1ccc2OCCOc2c1
O=C(NCCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O)c1ccc2c(c1)OCCO2 O=[N+]([O-])[*:1] O=C(NCCN1C(=O)S/C(=C\c2ccc(cc2)[*:1])C1=O)c1ccc2OCCOc2c1
O=C(NCCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C1S/C(=C\c2ccc(cc2)[N+](=O)[O-])C(=O)N1CCNC(=O)[*:1]
CC(C)c1nnc(CCC(=O)O[C@H](C)C2CC2)o1 C[C@H](C1CC1)[*:1] CC(C)c1nnc(CCC(=O)O[*:1])o1
CC(C)c1nnc(CCC(=O)O[C@H](C)C2CC2)o1 C1CC1[*:1] CC(C)c1nnc(CCC(=O)O[C@H](C)[*:1])o1
CC(C)c1nnc(CCC(=O)O[C@H](C)C2CC2)o1 CC(C)[*:1] C[C@@H](OC(=O)CCc1nnc(o1)[*:1])C1CC1
CCC[NH2+][C@@H](C1CC1)[C@](C)(CC)N1CCOCC1 C1CN(CCO1)[*:1] CCC[NH2+][C@@H](C1CC1)[C@](C)(CC)[*:1]
CCC[NH2+][C@@H](C1CC1)[C@](C)(CC)N1CCOCC1 CCC[*:1] CC[C@@](C)([C@@H]([NH2+][*:1])C1CC1)N1CCOCC1
CCC[NH2+][C@@H](C1CC1)[C@](C)(CC)N1CCOCC1 C1CC1[*:1] CCC[NH2+][C@@H]([C@](C)(CC)N1CCOCC1)[*:1]
Cc1cc2nc(C)n(CC(=O)Nc3cccc(C)c3C)c2cc1C Cc1cccc(c1C)[*:1] Cc1cc2nc(C)n(CC(=O)N[*:1])c2cc1C
COC(=O)NCC1(c2ccc(OC)cc2)CCCC1 COC(=O)N[*:1] COc1ccc(cc1)C1(CCCC1)C[*:1]
COC(=O)NCC1(c2ccc(OC)cc2)CCCC1 COC(=O)NC[*:1] COc1ccc(cc1)C1(CCCC1)[*:1]
CCOc1ccc(NC(=O)CN2CCCCCCC2=O)c(C(F)(F)F)c1 CCO[*:1] O=C(CN1CCCCCCC1=O)Nc1ccc(cc1C(F)(F)F)[*:1]
CCOc1ccc(NC(=O)CN2CCCCCCC2=O)c(C(F)(F)F)c1 FC(F)(F)[*:1] CCOc1ccc(NC(=O)CN2CCCCCCC2=O)c(c1)[*:1]
CCc1nn(C)c(CC)c1CN1CCN([C@H](C)C(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] CCc1nn(C)c(CC)c1CN1CCN(CC1)[C@H](C)[*:1]
Cc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c2ccccc2n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCC[C@H](C2)C(=O)N[*:1])c2ccccc2n1
Cc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c2ccccc2n1 O=C(Nc1ccccc1)[*:1] Cc1cc(C(=O)N2CCC[C@@H](C2)[*:1])c2ccccc2n1
Cc1cnn(CCC(=O)N(C)[C@H]2CCC[C@H](C)C2)c1 Cc1cnn(c1)[*:1] C[C@H]1CCC[C@@H](C1)N(C)C(=O)CC[*:1]
CCc1ccc(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1 CCc1ccc(cc1)[*:1] O=C1Nc2ccccc2[C@]12CCN(C2)C(=O)[*:1]
CC(C)COc1ccccc1NC(=O)N[C@H](C)c1nnc2ccccn12 CC(C)CO[*:1] C[C@@H](NC(=O)Nc1ccccc1[*:1])c1nnc2ccccn12
CC(C)COc1ccccc1NC(=O)N[C@H](C)c1nnc2ccccn12 CC(C)[*:1] C[C@@H](NC(=O)Nc1ccccc1OC[*:1])c1nnc2ccccn12
CC(C)COc1ccccc1NC(=O)N[C@H](C)c1nnc2ccccn12 CC(C)C[*:1] C[C@@H](NC(=O)Nc1ccccc1O[*:1])c1nnc2ccccn12
Cn1c(=O)/c(=C\c2ccsc2)s/c1=C\C(=O)C(C)(C)C CC(C)(C)C(=O)[*:1] Cn1c(=O)/c(=C\c2ccsc2)sc1=C[*:1]
Cn1c(=O)/c(=C\c2ccsc2)s/c1=C\C(=O)C(C)(C)C CC(C)(C)[*:1] Cn1c(=O)/c(=C\c2ccsc2)s/c1=C\C(=O)[*:1]
Cn1c(=O)/c(=C\c2ccsc2)s/c1=C\C(=O)C(C)(C)C c1cc(cs1)[*:1] Cn1c(=O)c(=C[*:1])s/c1=C\C(=O)C(C)(C)C
COc1ccccc1C(=O)NNc1ncnc(Nc2nccs2)c1N c1csc(n1)[*:1] COc1ccccc1C(=O)NNc1ncnc(N[*:1])c1N
COc1ccccc1C(=O)NNc1ncnc(Nc2nccs2)c1N c1csc(n1)N[*:1] COc1ccccc1C(=O)NNc1ncnc(c1N)[*:1]
COc1ccccc1C(=O)NNc1ncnc(Nc2nccs2)c1N COc1ccccc1[*:1] Nc1c(ncnc1Nc1nccs1)NNC(=O)[*:1]
COCCNc1ccc(-c2ccc(Cl)cc2)nn1 COC[*:1] Clc1ccc(cc1)-c1ccc(nn1)NC[*:1]
COCCNc1ccc(-c2ccc(Cl)cc2)nn1 COCCN[*:1] Clc1ccc(cc1)-c1ccc(nn1)[*:1]
COCCNc1ccc(-c2ccc(Cl)cc2)nn1 COCC[*:1] Clc1ccc(cc1)-c1ccc(nn1)N[*:1]
COc1ccc(CC(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccn(n1)-c1ccc(nn1)Nc1ccc(cc1)NC(=O)C[*:1]
COc1ccc(CC(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)cc1 Cc1ccn(n1)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(cc1)Nc1ccc(nn1)[*:1]
COc1ccc(CC(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)cc1 COc1ccc(cc1)C[*:1] Cc1ccn(n1)-c1ccc(nn1)Nc1ccc(cc1)NC(=O)[*:1]
CN1CCO[C@@H](/C([O-])=N/c2nncn2Cc2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCO[C@H](C1)/C([O-])=N/c1nncn1C[*:1]
CN1CCO[C@@H](/C([O-])=N/c2nncn2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CN1CCO[C@H](C1)/C([O-])=N/c1nncn1[*:1]
CCN(C(=O)C(=O)Nc1ccc(C)cc1)C1CCCCC1 Cc1ccc(cc1)[*:1] CCN(C(=O)C(=O)N[*:1])C1CCCCC1
CCN(C(=O)C(=O)Nc1ccc(C)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)C(=O)Nc1ccc(C)cc1)[*:1]
CC1=N[N+](c2ccccc2)=C2NC(=O)CC(C)=C12 c1ccc(cc1)[*:1] CC1=N[N+](=C2NC(=O)CC(C)=C12)[*:1]
CCO[C@H](CC)C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 CCO[*:1] CC[C@H](C(=O)N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
CCO[C@H](CC)C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 CCO[C@H](CC)[*:1] O=C(N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
CCO[C@H](CC)C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] CCO[C@H](CC)C(=O)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CCN1Cc1cccs1 c1csc(c1)C[*:1] OCC[C@@H]1CN(CCN1[*:1])Cc1cnc(s1)-c1ccccc1
OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CCN1Cc1cccs1 c1ccc(cc1)[*:1] OCC[C@@H]1CN(CCN1Cc1cccs1)Cc1cnc(s1)[*:1]
OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CCN1Cc1cccs1 OCC[*:1] c1ccc(cc1)-c1ncc(CN2CCN(Cc3cccs3)[C@@H](C2)[*:1])s1
OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CCN1Cc1cccs1 c1csc(c1)[*:1] OCC[C@@H]1CN(CCN1C[*:1])Cc1cnc(s1)-c1ccccc1
O=C(C[C@@H](O)c1cccc(F)c1)NCc1cccc2ccccc12 Fc1cccc(c1)[*:1] O=C(C[C@@H](O)[*:1])NCc1cccc2ccccc12
Cc1ncsc1C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 CN(C)[*:1] Cc1ncsc1C(=O)N1CCC[C@@H](C1)c1nc(ncc1-c1ccc(F)cc1)[*:1]
Cc1ncsc1C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] Cc1ncsc1C(=O)N1CCC[C@@H](C1)c1nc(ncc1[*:1])N(C)C
Cc1ncsc1C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 Cc1ncsc1[*:1] CN(C)c1ncc(-c2ccc(F)cc2)c(n1)[C@H]1CCCN(C1)C(=O)[*:1]
CCN(C1CCN(Cc2nc3c(F)cccc3n2CC)CC1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] CCn1c(CN2CCC(CC2)[*:1])nc2c(F)cccc21
C[C@H](NC(=O)C1CCOCC1)c1cccc2ccccc12 C1CC(CCO1)[*:1] C[C@H](NC(=O)[*:1])c1cccc2ccccc12
Cc1ccccc1NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C)CCCC3 Cc1ccccc1[*:1] C[C@H](Sc1nc2sc3CCCCc3c2c(=O)n1C)C(=O)N[*:1]
C[C@H](C#N)CN(C)C(=O)c1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] C[C@H](C#N)CN(C)C(=O)c1cccc(c1)OC[*:1]
C[C@H](C#N)CN(C)C(=O)c1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] C[C@H](C#N)CN(C)C(=O)c1cccc(c1)O[*:1]
CCCc1nc(Cn2c3c(sc2=O)C[C@H](CC)CC3)no1 CCC[*:1] CC[C@@H]1CCc2c(C1)sc(=O)n2Cc1noc(n1)[*:1]
Cc1ccc(CN2C[C@H](C(=O)NCCNc3cccnc3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(NCCNc1cccnc1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2C[C@H](C(=O)NCCNc3cccnc3)CC2=O)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)NCCN[*:1]
Cc1ccc(CN2C[C@H](C(=O)NCCNc3cccnc3)CC2=O)cc1 c1cncc(c1)N[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)NCC[*:1]
Cc1ccc(CN2C[C@H](C(=O)NCCNc3cccnc3)CC2=O)cc1 c1cncc(c1)NC[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)NC[*:1]
Cc1ccc(CN2C[C@H](C(=O)NCCNc3cccnc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCCNc1cccnc1)[C@@H]1CC(=O)N(C1)C[*:1]
COc1cc(C(=O)N(Cc2nccn2C)C(C)C)ccc1OC1CC[NH+](C)CC1 CC(C)[*:1] COc1cc(ccc1OC1CC[NH+](C)CC1)C(=O)N(Cc1nccn1C)[*:1]
COc1cc(C(=O)N(Cc2nccn2C)C(C)C)ccc1OC1CC[NH+](C)CC1 Cn1ccnc1[*:1] COc1cc(ccc1OC1CC[NH+](C)CC1)C(=O)N(C[*:1])C(C)C
COc1cc(C(=O)N(Cc2nccn2C)C(C)C)ccc1OC1CC[NH+](C)CC1 Cn1ccnc1C[*:1] COc1cc(ccc1OC1CC[NH+](C)CC1)C(=O)N(C(C)C)[*:1]
CSC[C@H](CCO)NC(=O)Nc1ccn(C)n1 OCC[*:1] CSC[C@H](NC(=O)Nc1ccn(C)n1)[*:1]
CSC[C@H](CCO)NC(=O)Nc1ccn(C)n1 CSC[*:1] Cn1ccc(n1)NC(=O)N[C@@H](CCO)[*:1]
O=C(NNc1ccc(F)cc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 Fc1ccc(cc1)[*:1] O=C(NN[*:1])N[C@@H]1CCCc2c1cnn2Cc1ccccc1
O=C(NNc1ccc(F)cc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)[*:1] O=C(NNc1ccc(F)cc1)N[C@@H]1CCCc2c1cnn2C[*:1]
O=C(NNc1ccc(F)cc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(NNc1ccc(F)cc1)N[C@@H]1CCCc2c1cnn2[*:1]
C[C@@H](CCO)Sc1cccnn1 OCC[*:1] C[C@@H](Sc1cccnn1)[*:1]
O=C(CSc1cc(N2CCCC2)ncn1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CSc1cc(ncn1)N1CCCC1)N[*:1]
O=C(CSc1cc(N2CCCC2)ncn1)Nc1cccc(Cl)c1 C1CCN(C1)[*:1] O=C(CSc1cc(ncn1)[*:1])Nc1cccc(Cl)c1
COC[C@@H](C)n1c(=S)[nH]c2c(C)nn(C)c21 COC[*:1] Cc1nn(C)c2c1[nH]c(=S)n2[C@H](C)[*:1]
COC[C@@H](C)n1c(=S)[nH]c2c(C)nn(C)c21 COC[C@@H](C)[*:1] Cc1nn(C)c2c1[nH]c(=S)n2[*:1]
N#Cc1ccc(C(=O)Nc2nc(C(N)=O)cs2)cc1 NC(=O)[*:1] N#Cc1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
CC(C)[C@H]1C(=O)NC(=O)C[C@@H]1c1ccc(Br)s1 CC(C)[*:1] O=C1C[C@H](c2ccc(Br)s2)[C@H](C(=O)N1)[*:1]
NC(=O)[C@H](NC(=O)[C@@H]1CC=CCC1)c1cccc(Br)c1 NC(=O)[*:1] O=C(N[C@H](c1cccc(Br)c1)[*:1])[C@@H]1CC=CCC1
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=S)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] Cc1cc(ccc1NC(=S)NC(=O)[C@@H](C)O[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl Clc1ccc(O[*:1])c(Cl)c1 Cc1cc(ccc1NC(=S)NC(=O)[C@@H](C)[*:1])[N+](=O)[O-]
Cc1cc(F)c(N)cc1S(=O)(=O)N1CCCC[C@@H]1CCO OCC[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)N1CCCC[C@H]1[*:1]
Cc1ccc2c(CC(=O)Nc3cccc(Cl)c3C)cc(=O)oc2c1 Cc1c(Cl)cccc1[*:1] Cc1ccc2c(cc(=O)oc2c1)CC(=O)N[*:1]
CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2ccc(Br)cc2)CC1 CC(C)(C)[*:1] [NH3+]CC1(CCN(CC1)C(=O)O[*:1])c1ccc(Br)cc1
CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC(C[NH3+])(CC1)[*:1]
C[C@H](Cn1cccn1)Nc1cc(Cl)c(Cl)cc1N c1cnn(c1)[*:1] C[C@H](C[*:1])Nc1cc(Cl)c(Cl)cc1N
C[C@H](Cn1cccn1)Nc1cc(Cl)c(Cl)cc1N c1cnn(c1)C[*:1] C[C@H](Nc1cc(Cl)c(Cl)cc1N)[*:1]
O=C(CS[C@H]1CCc2ccccc2N=C1O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CS[C@H]1CCc2ccccc2N=C1O)N1CCN(CC1)[*:1]
O=C(CS[C@H]1CCc2ccccc2N=C1O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CS[C@H]1CCc2ccccc2N=C1O)N1CCN(CC1)C[*:1]
CCn1c(=O)n(CC(=O)N2CCCCCC2)c2c(C(N)=O)nc(-c3ccsc3)nc21 c1cc(cs1)[*:1] CCn1c(=O)n(CC(=O)N2CCCCCC2)c2c(nc(nc21)[*:1])C(N)=O
CCn1c(=O)n(CC(=O)N2CCCCCC2)c2c(C(N)=O)nc(-c3ccsc3)nc21 O=C(C[*:1])N1CCCCCC1 CCn1c(=O)n(c2c(nc(nc21)-c1ccsc1)C(N)=O)[*:1]
CCn1c(=O)n(CC(=O)N2CCCCCC2)c2c(C(N)=O)nc(-c3ccsc3)nc21 NC(=O)[*:1] CCn1c(=O)n(CC(=O)N2CCCCCC2)c2c(nc(nc21)-c1ccsc1)[*:1]
CCn1c(=O)n(CC(=O)N2CCCCCC2)c2c(C(N)=O)nc(-c3ccsc3)nc21 O=C(N1CCCCCC1)[*:1] CCn1c(=O)n(C[*:1])c2c(nc(nc21)-c1ccsc1)C(N)=O
CCCCCC(=O)N[C@](C)(CC)C(=O)[O-] CCC[*:1] CC[C@@](C)(NC(=O)CC[*:1])C(=O)[O-]
CCCCCC(=O)N[C@](C)(CC)C(=O)[O-] CCCCC[*:1] CC[C@@](C)(NC(=O)[*:1])C(=O)[O-]
CCCCCC(=O)N[C@](C)(CC)C(=O)[O-] CCCC[*:1] CC[C@@](C)(NC(=O)C[*:1])C(=O)[O-]
CCCCCC(=O)N[C@](C)(CC)C(=O)[O-] O=C([O-])[*:1] CCCCCC(=O)N[C@](C)(CC)[*:1]
Cc1ccc2nc([C@@H](C)NC(=O)[C@@H]3C[N+](C4CC4)=C[C@H](C(=O)NC4CCCCCC4)C3=O)[nH]c2c1 C1CC1[*:1] Cc1ccc2nc([nH]c2c1)[C@@H](C)NC(=O)[C@@H]1C[N+](=C[C@H](C(=O)NC2CCCCCC2)C1=O)[*:1]
Cc1ccc2nc([C@@H](C)NC(=O)[C@@H]3C[N+](C4CC4)=C[C@H](C(=O)NC4CCCCCC4)C3=O)[nH]c2c1 Cc1ccc2nc([nH]c2c1)[*:1] C[C@@H](NC(=O)[C@@H]1C[N+](=C[C@H](C(=O)NC2CCCCCC2)C1=O)C1CC1)[*:1]
Cc1ccc2nc([C@@H](C)NC(=O)[C@@H]3C[N+](C4CC4)=C[C@H](C(=O)NC4CCCCCC4)C3=O)[nH]c2c1 C1CCCC(CC1)[*:1] Cc1ccc2nc([nH]c2c1)[C@@H](C)NC(=O)[C@@H]1C[N+](=C[C@H](C(=O)N[*:1])C1=O)C1CC1
Cc1ccc2nc([C@@H](C)NC(=O)[C@@H]3C[N+](C4CC4)=C[C@H](C(=O)NC4CCCCCC4)C3=O)[nH]c2c1 O=C(NC1CCCCCC1)[*:1] Cc1ccc2nc([nH]c2c1)[C@@H](C)NC(=O)[C@@H]1C[N+](=C[C@H](C1=O)[*:1])C1CC1
CCOC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 N#CCO[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)Cc1cccc(c1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 CCOC(=O)[*:1] N#CCOc1cccc(c1)CC(=O)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 N#CC[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)Cc1cccc(c1)O[*:1]
COc1cc(OC)cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1 c1ccc(cc1)C[*:1] COc1cc(cc(c1)C(=O)Nc1nnc(s1)[*:1])OC
COc1cc(OC)cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)Nc1nnc(C[*:1])s1)OC
O=C(CCc1cccnc1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(CCc1cccnc1)N[C@@H]1CCCC[C@@H]1O[*:1]
O=C(CCc1cccnc1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 c1cncc(c1)C[*:1] O=C(C[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
O=C(CCc1cccnc1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 c1cncc(c1)[*:1] O=C(CC[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
O=C(CCc1cccnc1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(CCc1cccnc1)N[C@@H]1CCCC[C@H]1[*:1]
CCn1cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c2cc(OC)ccc21 c1ccc(cc1)[*:1] CCn1cc(C[NH+]2CCC(CC2)C(=O)NC[*:1])c2cc(ccc21)OC
CCn1cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c2cc(OC)ccc21 c1ccc(cc1)C[*:1] CCn1cc(C[NH+]2CCC(CC2)C(=O)N[*:1])c2cc(ccc21)OC
CCn1cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c2cc(OC)ccc21 O=C(NCc1ccccc1)[*:1] CCn1cc(C[NH+]2CCC(CC2)[*:1])c2cc(ccc21)OC
CC(C)C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 CC(C)[*:1] O=C(C[NH+]1CCC(CC1)Cc1ccccc1)[*:1]
CC(C)C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 CC(C)C(=O)[*:1] c1ccc(cc1)CC1CC[NH+](CC1)C[*:1]
CC(C)C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)C(=O)C[NH+]1CCC(CC1)C[*:1]
CC(C)C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 CC(C)C(=O)C[*:1] c1ccc(cc1)CC1CC[NH+](CC1)[*:1]
O=C(Nc1ccccc1N1CCCC1)c1ccc2ccccc2c1 C1CCN(C1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc2ccccc2c1
CC/C(=N\NC(=O)c1c(Br)cnn1C)c1ccc(Br)s1 Brc1ccc(s1)[*:1] CCC(=NNC(=O)c1c(Br)cnn1C)[*:1]
O=C(CCOc1ccccc1)Nc1nc(-c2ccccc2)ns1 c1ccc(cc1)O[*:1] O=C(CC[*:1])Nc1nc(ns1)-c1ccccc1
O=C(CCOc1ccccc1)Nc1nc(-c2ccccc2)ns1 c1ccc(cc1)[*:1] O=C(CCO[*:1])Nc1nc(ns1)-c1ccccc1
O=C(CCOc1ccccc1)Nc1nc(-c2ccccc2)ns1 c1ccc(cc1)[*:1] O=C(CCOc1ccccc1)Nc1nc(ns1)[*:1]
O=C(c1cccs1)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cccs1)N1CCC[C@@H](C1)c1n[nH]c(=O)n1[*:1]
O=C(c1cccs1)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 c1csc(c1)[*:1] O=C(N1CCC[C@@H](C1)c1n[nH]c(=O)n1-c1ccccc1)[*:1]
C[C@H](Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=[N+]([O-])c1ccc(cc1)CSc1nnc(C[*:1])o1
C[C@H](Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 O=[N+]([O-])[*:1] C[C@H](Cc1nnc(o1)SCc1ccc(cc1)[*:1])c1ccccc1
C[C@H](Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cc1nnc(o1)SCc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccn2/c(=N/C(=O)/C=C/C3CCCCC3)[nH]nc2c1 C1CCC(CC1)[*:1] Cc1ccn2/c(=N/C(=O)C=C[*:1])[nH]nc2c1
CCCNC(=O)NC(C)(C)C(=O)N[C@@H](C)c1cccs1 CCC[*:1] C[C@H](NC(=O)C(C)(C)NC(=O)N[*:1])c1cccs1
CCCNC(=O)NC(C)(C)C(=O)N[C@@H](C)c1cccs1 c1csc(c1)[*:1] CCCNC(=O)NC(C)(C)C(=O)N[C@@H](C)[*:1]
Cc1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1-c1ccccc1 O=C([O-])[*:1] Cc1nnc(SCC(=O)Nc2cccc(c2)[*:1])n1-c1ccccc1
Cc1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(SCC(=O)Nc2cccc(c2)C(=O)[O-])n1[*:1]
O=C(Nn1c(Cc2ccccc2)nc2ccccc2c1=O)c1c([O-])n2c3c(cccc3c1=O)CCC2 c1ccc(cc1)C[*:1] O=C(Nn1c(nc2ccccc2c1=O)[*:1])c1c([O-])n2CCCc3cccc(c1=O)c32
O=C(Nn1c(Cc2ccccc2)nc2ccccc2c1=O)c1c([O-])n2c3c(cccc3c1=O)CCC2 c1ccc(cc1)[*:1] O=C(Nn1c(C[*:1])nc2ccccc2c1=O)c1c([O-])n2CCCc3cccc(c1=O)c32
Cc1nc2ccccn2c1C(=O)OCc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] Cc1nc2ccccn2c1C(=O)OCc1cc(on1)[*:1]
CC[C@@H]1[C@H](C(C)C)N1S(=O)(=O)c1ccc(C)cc1 CC(C)[*:1] CC[C@@H]1[C@H](N1S(=O)(=O)c1ccc(C)cc1)[*:1]
CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2cscn2)cc1 CN(C)C(=O)[*:1] O=C(c1ccc(cc1)-c1cscn1)N1CSC[C@H]1[*:1]
CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(cc1)[*:1]
C[C@@H](OC(=O)c1c(F)cc(OC(F)F)cc1F)[C@@H]1CCOC1 FC(F)O[*:1] C[C@@H](OC(=O)c1c(F)cc(cc1F)[*:1])[C@@H]1CCOC1
C[C@@H](OC(=O)c1c(F)cc(OC(F)F)cc1F)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@@H](OC(=O)c1c(F)cc(cc1F)OC(F)F)[*:1]
C[C@@H](OC(=O)c1c(F)cc(OC(F)F)cc1F)[C@@H]1CCOC1 FC(F)[*:1] C[C@@H](OC(=O)c1c(F)cc(cc1F)O[*:1])[C@@H]1CCOC1
CN[C@@]1(C#N)CCC[C@@H](Oc2ccc(S(C)(=O)=O)cc2)C1 CS(=O)(=O)[*:1] CN[C@@]1(C#N)CCC[C@H](C1)Oc1ccc(cc1)[*:1]
Cc1cccc(C(=O)N(CCC#N)Cc2cccnc2)c1C N#CCC[*:1] Cc1cccc(C(=O)N(Cc2cccnc2)[*:1])c1C
Cc1cccc(C(=O)N(CCC#N)Cc2cccnc2)c1C c1cncc(c1)C[*:1] Cc1cccc(C(=O)N(CCC#N)[*:1])c1C
Cc1cccc(C(=O)N(CCC#N)Cc2cccnc2)c1C N#CC[*:1] Cc1cccc(C(=O)N(Cc2cccnc2)C[*:1])c1C
Cc1cccc(C(=O)N(CCC#N)Cc2cccnc2)c1C c1cncc(c1)[*:1] Cc1cccc(C(=O)N(CCC#N)C[*:1])c1C
CCCCN(C(=O)Nc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] COc1ccc(cc1F)NC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)Nc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] COc1ccc(cc1F)NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)NC[C@H]2CCCO2)o1 Cc1ccc(o1)[*:1] C[C@@](O)(CNC(=O)NC[C@H]1CCCO1)[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)NC[C@H]2CCCO2)o1 C1CO[C@H](C1)[*:1] Cc1ccc(o1)[C@@](C)(O)CNC(=O)NC[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)NC[C@H]2CCCO2)o1 C1CO[C@H](C1)C[*:1] Cc1ccc(o1)[C@@](C)(O)CNC(=O)N[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)N[C@@H]1CCC[C@H](SC)C1 COc1ccccc1[*:1] CS[C@H]1CCC[C@H](C1)NC(=O)N(C)[C@H](C)C[*:1]
CC(C)CN1C[C@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1=O O=S1(=O)CC[C@H](C1)[*:1] CC(C)CN1C[C@@H](CC1=O)C(=O)NC[*:1]
CC(C)CN1C[C@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1=O CC(C)[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(C1)C[*:1]
CC(C)CN1C[C@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1=O CC(C)C[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CN1C(=O)C(=NC12CCCCC2)[*:1]
Cc1cc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)no1 Cc1cc(no1)NC(=O)[*:1] O=C1C(=NC2(CCCCC2)N1C[*:1])c1ccccc1
Cc1cc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)no1 Cc1cc(no1)[*:1] O=C(CN1C(=O)C(=NC12CCCCC2)c1ccccc1)N[*:1]
CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(=O)c3ccccc3o2)C1(CC)CC CCO[*:1] CCC1(CC)[C@@H](C[C@H]1[*:1])N(C)C(=O)c1cc(=O)c2ccccc2o1
O[C@](c1nc2ccccc2o1)(c1c[nH]c2ccccc12)C(F)(F)F FC(F)(F)[*:1] O[C@](c1nc2ccccc2o1)(c1c[nH]c2ccccc12)[*:1]
C[C@@H](Sc1nncs1)C(=O)Nc1cccc2ccccc12 c1nnc(S[*:1])s1 C[C@@H](C(=O)Nc1cccc2ccccc12)[*:1]
C[C@@H](Sc1nncs1)C(=O)Nc1cccc2ccccc12 c1nnc(s1)[*:1] C[C@@H](S[*:1])C(=O)Nc1cccc2ccccc12
C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H](c2ccccc2)C1 Cn1cc(cn1)[*:1] C[C@H]1C[C@H](C[C@@H](C1)c1ccccc1)[NH2+][C@@H]1CCN(C1=O)[*:1]
C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](C[C@H](C1)[*:1])[NH2+][C@@H]1CCN(C1=O)c1cnn(C)c1
CCOC(=O)c1oc2ccc(Br)cc2c1Cn1cnc2c(cnn2C)c1=O CCOC(=O)[*:1] Cn1ncc2c(=O)n(cnc21)Cc1c(oc2ccc(Br)cc12)[*:1]
COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OC CC(=O)[*:1] COc1ccc(cc1OC)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1ccc(cc1)[*:1]
COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OC COc1ccc(cc1OC)[*:1] CC(=O)c1ccc(cc1)N1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1[*:1]
COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OC CC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
Cc1cc(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)on1 Cc1cc(on1)[*:1] O=C(NC[C@@H]1CCCO1)Nc1ccc(cc1)NC(=O)[*:1]
CCC(C)(C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O CCC(C)(C)C(=O)N[*:1] Cc1ccc(/C=C2/SC(=O)N(CC[*:1])C2=O)cc1
CCC(C)(C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O Cc1ccc(cc1)[*:1] CCC(C)(C)C(=O)NCCN1C(=O)SC(=C[*:1])C1=O
CCC(C)(C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O CCC(C)(C)[*:1] Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[*:1])C2=O)cc1
CC[C@@H](C)Oc1cc(C)ccc1CNc1nccn(CC)c1=O CC[C@@H](C)[*:1] CCn1ccnc(NCc2ccc(C)cc2O[*:1])c1=O
CC[C@@H](C)Oc1cc(C)ccc1CNc1nccn(CC)c1=O CC[C@@H](C)O[*:1] CCn1ccnc(NCc2ccc(C)cc2[*:1])c1=O
CN1CC[C@@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2)C1=O CN1CC[C@@H](C1=O)[*:1] O=C(N[C@@H](CO)c1ccc(Cl)cc1)N[*:1]
CN1CC[C@@H](NC(=O)N[C@@H](CO)c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CN1CC[C@@H](NC(=O)N[C@@H](CO)[*:1])C1=O
COc1ccc(N2C(=O)[C@@H]3CC4=c5ccccc5=[NH+][C@H]4[C@H](c4ccc(C)cc4)N3C2=O)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](N2C1=O)[*:1]
COc1ccc(N2C(=O)[C@@H]3CC4=c5ccccc5=[NH+][C@H]4[C@H](c4ccc(C)cc4)N3C2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C(=O)N21)[*:1]
CC(=O)c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1C N#CCC[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[C@@H](c1ccccc1)[*:1]
CC(=O)c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1C N#CC[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[C@@H](C[*:1])c1ccccc1
CC(=O)c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@@H](CCC#N)c1ccccc1
CC(=O)c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1C c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[C@@H](CCC#N)[*:1]
Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](CC1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](CC1CCCC1)[*:1]
Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](CC1CCCC1)c1ccccc1 C1CCC(C1)C[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](c1ccccc1)[*:1]
Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](CC1CCCC1)c1ccccc1 C1CCC(C1)[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](C[*:1])c1ccccc1
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2oc3c(C)cccc3c2C)C1 COC(=O)[*:1] Cc1c(oc2c(C)cccc12)C(=O)N1CCC[C@@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2oc3c(C)cccc3c2C)C1 COC(=O)C(C)(C)[*:1] Cc1c(oc2c(C)cccc12)C(=O)N1CCC[C@@H](C1)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)NC[C@H]1CCCCO1 C1CC[C@H](C[*:1])OC1 CCc1nn(C)c(OC)c1CNC(=O)N[*:1]
CCc1nn(C)c(OC)c1CNC(=O)NC[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)NC[*:1]
Cc1cccc(C)c1NC(=O)Cn1ncc(-c2ccccc2)nc1=O c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)Cn1ncc(nc1=O)[*:1]
Cc1cccc(C)c1NC(=O)Cn1ncc(-c2ccccc2)nc1=O Cc1cccc(C)c1[*:1] O=C(Cn1ncc(nc1=O)-c1ccccc1)N[*:1]
CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2ccnc2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)-n1ccnc1)[C@@H]1CCCN1S(=O)(=O)[*:1]
Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1c(cnc1NC[*:1])-c1ccc(Cl)cc1
Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc(F)c1 Clc1ccc(cc1)[*:1] Cn1c(cnc1NCc1cccc(F)c1)[*:1]
C[C@H]1CCc2c(C(=O)NCc3ccc(CN4CCOCC4)cc3)csc2C1 C1CN(CCO1)C[*:1] C[C@H]1CCc2c(csc2C1)C(=O)NCc1ccc(cc1)[*:1]
C[C@H]1CCc2c(C(=O)NCc3ccc(CN4CCOCC4)cc3)csc2C1 C1CN(CCO1)[*:1] C[C@H]1CCc2c(csc2C1)C(=O)NCc1ccc(cc1)C[*:1]
CC(C)(C)[C@H]([NH2+]CCn1c(=O)oc2cccnc21)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@H]([NH2+]CCn1c(=O)oc2cccnc21)[*:1]
CC(C)(C)[C@H]([NH2+]CCn1c(=O)oc2cccnc21)c1ccccc1 CC(C)(C)[*:1] O=c1oc2cccnc2n1CC[NH2+][C@H](c1ccccc1)[*:1]
CCNc1cc(C)[nH+]c(NCCNC(=O)c2cc3ccccc3oc2=O)n1 CCN[*:1] Cc1cc(nc(NCCNC(=O)c2cc3ccccc3oc2=O)[nH+]1)[*:1]
Cc1ccc(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=O)[C@H]1COc2ccccc2O1
Cc1ccc(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])NNC(=O)[C@H]1COc2ccccc2O1
Cc1csc([C@H](NC(=O)[C@H](C)c2ccc3ccccc3c2)C2CC2)n1 Cc1csc(n1)[*:1] C[C@@H](C(=O)N[C@H](C1CC1)[*:1])c1ccc2ccccc2c1
Cc1csc([C@H](NC(=O)[C@H](C)c2ccc3ccccc3c2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)CCC1CCCCC1 C1CCC(CC1)[*:1] COc1ccc(cc1NC(=O)CC[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)CCC1CCCCC1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)CCC1CCCCC1)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)CCC1CCCCC1 C1CCC(CC1)C[*:1] COc1ccc(cc1NC(=O)C[*:1])NC(C)=O
O=C(/N=C(\NC[C@H]1CCCO1)Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(/N=C(\NC[C@H]1CCCO1)Nc1ccc2OCCOc2c1)[*:1]
C=C(C)C[C@@H]1CC[C@@H](C(=O)OCC)C1=O CCOC(=O)[*:1] C=C(C)C[C@@H]1CC[C@@H](C1=O)[*:1]
C=C(C)C[C@@H]1CC[C@@H](C(=O)OCC)C1=O C=C(C)C[*:1] CCOC(=O)[C@@H]1CC[C@H](C1=O)[*:1]
C=C(C)C[C@@H]1CC[C@@H](C(=O)OCC)C1=O C=C(C)[*:1] CCOC(=O)[C@@H]1CC[C@@H](C[*:1])C1=O
N#CCCSc1nc(N)c2ccccc2n1 N#CCC[*:1] Nc1nc(nc2ccccc12)S[*:1]
N#CCCSc1nc(N)c2ccccc2n1 N#CC[*:1] Nc1nc(nc2ccccc12)SC[*:1]
N#CCCSc1nc(N)c2ccccc2n1 N#CCCS[*:1] Nc1nc(nc2ccccc12)[*:1]
Cc1ccccc1N1CCN(C(=O)Cc2cccnc2)CC1=O Cc1ccccc1[*:1] O=C(Cc1cccnc1)N1CCN(C(=O)C1)[*:1]
Cc1ccccc1N1CCN(C(=O)Cc2cccnc2)CC1=O c1cncc(c1)[*:1] Cc1ccccc1N1CCN(CC1=O)C(=O)C[*:1]
Cc1ccccc1N1CCN(C(=O)Cc2cccnc2)CC1=O c1cncc(c1)C[*:1] Cc1ccccc1N1CCN(CC1=O)C(=O)[*:1]
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1c2ccc(cc2C(=O)N1C[*:1])[N+](=O)[O-]
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C1c2ccc(cc2C(=O)N1Cc1ccc(Cl)cc1)[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(C)C[C@@H]3c3ccccc3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N1CCN(C)C[C@H]1[*:1]
C[C@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccc(c1)Nc1ncccn1)[*:1]
C[C@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1ccc(F)cc1 c1cnc(nc1)N[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])c1ccc(F)cc1
C[C@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1ccc(F)cc1 c1cnc(nc1)[*:1] C[C@H](NC(=O)c1cccc(c1)N[*:1])c1ccc(F)cc1
CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)noc2n1 FC(F)(F)[*:1] CC(C)c1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)CN1CCCC1=O)[*:1]
CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)noc2n1 O=C1CCCN1[*:1] CC(C)c1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)C[*:1])C(F)(F)F
CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)noc2n1 CC(C)[*:1] O=C1CCCN1CC(=O)N1CCC[C@H](C1)c1noc2nc(cc(c12)C(F)(F)F)[*:1]
CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)noc2n1 O=C1CCCN1C[*:1] CC(C)c1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)[*:1])C(F)(F)F
Cc1cccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OCCO3)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Oc1ccc2OCCOc2c1
Cc1ccccc1[C@H](C)NC(=O)N[C@H](c1ccccn1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)N[C@@H](C)[*:1])c1ccccn1
Cc1ccccc1[C@H](C)NC(=O)N[C@H](c1ccccn1)C(C)C c1ccc(nc1)[*:1] Cc1ccccc1[C@H](C)NC(=O)N[C@H](C(C)C)[*:1]
Cc1ccccc1[C@H](C)NC(=O)N[C@H](c1ccccn1)C(C)C CC(C)[*:1] Cc1ccccc1[C@H](C)NC(=O)N[C@H](c1ccccn1)[*:1]
N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2COc3ccccc32)cc1 N#Cc1ccccc1[*:1] O=C(NCc1ccc(cc1)[*:1])[C@H]1COc2ccccc21
COc1nn(C)cc1C(=O)NCC1CC[NH+](Cc2cc(C)oc2C)CC1 Cc1cc(c(C)o1)[*:1] COc1nn(C)cc1C(=O)NCC1CC[NH+](CC1)C[*:1]
COc1nn(C)cc1C(=O)NCC1CC[NH+](Cc2cc(C)oc2C)CC1 Cc1cc(C[*:1])c(C)o1 COc1nn(C)cc1C(=O)NCC1CC[NH+](CC1)[*:1]
COc1nn(C)cc1C(=O)NCC1CC[NH+](Cc2cc(C)oc2C)CC1 COc1nn(C)cc1[*:1] Cc1cc(C[NH+]2CCC(CC2)CNC(=O)[*:1])c(C)o1
CCc1nc2n(n1)CCC[C@@H]2NC(=O)CSc1nnnn1C Cn1nnnc1S[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)C[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)CSc1nnnn1C Cn1nnnc1[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)CS[*:1]
COc1ccc(Cl)cc1C[NH+](C)CC(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] COc1ccc(Cl)cc1C[NH+](C)CC(=O)N1CCC(CC1)[*:1]
O=C(O[C@H]1CCOC1=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] O=C(O[C@H]1CCOC1=O)c1cccc(c1)S(=O)(=O)N[*:1]
O=C(O[C@H]1CCOC1=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 c1coc(c1)[*:1] O=C(O[C@H]1CCOC1=O)c1cccc(c1)S(=O)(=O)NC[*:1]
Cc1ccccc1C(=O)NNc1ncnc(Nc2ncccc2C)c1[N+](=O)[O-] Cc1ccccc1[*:1] Cc1cccnc1Nc1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
Cc1ccccc1C(=O)NNc1ncnc(Nc2ncccc2C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1C(=O)NNc1ncnc(Nc2ncccc2C)c1[*:1]
Cc1ccccc1C(=O)NNc1ncnc(Nc2ncccc2C)c1[N+](=O)[O-] Cc1cccnc1N[*:1] Cc1ccccc1C(=O)NNc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1ccccc1C(=O)NNc1ncnc(Nc2ncccc2C)c1[N+](=O)[O-] Cc1cccnc1[*:1] Cc1ccccc1C(=O)NNc1ncnc(N[*:1])c1[N+](=O)[O-]
C[C@H]1CN(CC(=O)Nc2cccnc2)c2cc(Cl)ccc2O1 c1cncc(c1)[*:1] C[C@H]1CN(CC(=O)N[*:1])c2cc(Cl)ccc2O1
CCNC(=O)C[C@@H](C[NH3+])N1CC[C@H](N2CCOCC2)C1 CCNC(=O)C[*:1] [NH3+]C[C@@H](N1CC[C@@H](C1)N1CCOCC1)[*:1]
CCNC(=O)C[C@@H](C[NH3+])N1CC[C@H](N2CCOCC2)C1 CCNC(=O)[*:1] [NH3+]C[C@H](C[*:1])N1CC[C@@H](C1)N1CCOCC1
CCNC(=O)C[C@@H](C[NH3+])N1CC[C@H](N2CCOCC2)C1 C1CN(CCO1)[*:1] CCNC(=O)C[C@@H](C[NH3+])N1CC[C@H](C1)[*:1]
CCO[C@H]1C[C@@H](NS(=O)(=O)N(C)C)C12CCCCC2 CCO[*:1] CN(C)S(=O)(=O)N[C@@H]1C[C@@H](C12CCCCC2)[*:1]
CN(C)c1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)c1ccc(cc1)C(=O)N[C@@H](Cc1[nH+]ccn1C)[*:1]
CN(C)c1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 CN(C)[*:1] Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1
O=C(NCc1ccccc1Cl)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 Clc1ccccc1[*:1] O=C(NC[*:1])c1ccc(Cl)c(c1)NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1
O=C(NCc1ccccc1Cl)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 Clc1ccccc1C[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1
O=C(C[C@@H]1C([O-])=Nc2nc(SCc3ccccc3)nn21)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(C[C@@H]1C([O-])=Nc2nc(nn21)SC[*:1])Nc1cccc(Cl)c1
O=C(C[C@@H]1C([O-])=Nc2nc(SCc3ccccc3)nn21)Nc1cccc(Cl)c1 c1ccc(cc1)CS[*:1] O=C(C[C@@H]1C([O-])=Nc2nc(nn21)[*:1])Nc1cccc(Cl)c1
O=C(C[C@@H]1C([O-])=Nc2nc(SCc3ccccc3)nn21)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(C[C@@H]1C([O-])=Nc2nc(nn21)SCc1ccccc1)N[*:1]
O=C(C[C@@H]1C([O-])=Nc2nc(SCc3ccccc3)nn21)Nc1cccc(Cl)c1 c1ccc(cc1)C[*:1] O=C(C[C@@H]1C([O-])=Nc2nc(nn21)S[*:1])Nc1cccc(Cl)c1
CC(C)c1ccc(NC(=S)NCCc2ccc(O)cc2)cc1 CC(C)[*:1] Oc1ccc(cc1)CCNC(=S)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=S)NCCc2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=S)NCC[*:1]
CCCCC(=O)Nc1nc2cc(OC)c(OC)cc2s1 CCCC[*:1] COc1cc2nc(NC(=O)[*:1])sc2cc1OC
CCCCC(=O)Nc1nc2cc(OC)c(OC)cc2s1 CCC[*:1] COc1cc2nc(NC(=O)C[*:1])sc2cc1OC
Oc1ccc(CCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1 FC(F)(F)[*:1] Oc1ccc(cc1)CCC[NH2+][C@@H]1CCN(C1)C[*:1]
Oc1ccc(CCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1 Oc1ccc(cc1)[*:1] FC(F)(F)CN1CC[C@H](C1)[NH2+]CCC[*:1]
Oc1ccc(CCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1 FC(F)(F)C[*:1] Oc1ccc(cc1)CCC[NH2+][C@@H]1CCN(C1)[*:1]
CC1(C)CN(C(=O)c2cccc(-n3cccn3)c2)CC[S@]1=O c1cnn(c1)[*:1] CC1(C)CN(CC[S@]1=O)C(=O)c1cccc(c1)[*:1]
C[C@H]1CCC[C@@H](NC(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 O=C1CCCN1[*:1] C[C@H]1CCC[C@H](C1)NC(=O)NCc1ccc(cc1)C[*:1]
C[C@H]1CCC[C@@H](NC(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 O=C1CCCN1C[*:1] C[C@H]1CCC[C@H](C1)NC(=O)NCc1ccc(cc1)[*:1]
COc1ccc2[nH+]ccc(Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c1 O=[N+]([O-])[*:1] COc1ccc2[nH+]ccc(Nc3ccc(Cl)c(c3)[*:1])c2c1
CCC1(CNC(=O)N[C@@H](C)CCSC)CCC1 CSC[*:1] CCC1(CCC1)CNC(=O)N[C@@H](C)C[*:1]
CCC1(CNC(=O)N[C@@H](C)CCSC)CCC1 CSCC[*:1] CCC1(CCC1)CNC(=O)N[C@@H](C)[*:1]
Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] Cc1nc2ncccc2c(=O)n1-c1cccc(c1)NC(=O)[*:1]
Cc1oc(-c2cccs2)nc1COC(=O)c1ccccc1N1CCCC1=O c1csc(c1)[*:1] Cc1oc(nc1COC(=O)c1ccccc1N1CCCC1=O)[*:1]
Cc1oc(-c2cccs2)nc1COC(=O)c1ccccc1N1CCCC1=O O=C1CCCN1[*:1] Cc1oc(nc1COC(=O)c1ccccc1[*:1])-c1cccs1
Cc1nnc(-c2ccc(C(=O)N3CC(C)(C)C3(C)C)cc2)o1 Cc1nnc(o1)[*:1] CC1(C)CN(C(=O)c2ccc(cc2)[*:1])C1(C)C
Cc1ccc(/C=C/C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 Cc1ccc(C=C[*:1])cc1 Cc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)[*:1]
Cc1ccc(/C=C/C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(/C=C/C(=O)N2CCC(CC2)NS(=O)(=O)[*:1])cc1
CCc1nnc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)s1 c1ccc(cc1)C[*:1] CCc1nnc(NC(=O)NC[C@@H]([NH+](C)C)[*:1])s1
CCc1nnc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)s1 c1ccc(cc1)[*:1] CCc1nnc(NC(=O)NC[C@@H](C[*:1])[NH+](C)C)s1
CCc1nnc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)s1 CCc1nnc(s1)[*:1] C[NH+](C)[C@@H](CNC(=O)N[*:1])Cc1ccccc1
Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc4ncsc4c3)n2)cc1 Cc1ccc(cc1)[*:1] Nc1nc(COC(=O)c2ccc3ncsc3c2)nc(n1)N[*:1]
Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc4ncsc4c3)n2)cc1 c1nc2ccc(cc2s1)[*:1] Cc1ccc(cc1)Nc1nc(N)nc(COC(=O)[*:1])n1
Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc4ncsc4c3)n2)cc1 Cc1ccc(cc1)N[*:1] Nc1nc(COC(=O)c2ccc3ncsc3c2)nc(n1)[*:1]
CCOCC(=O)NNC(=O)NCc1nc(C)c(C)s1 CCO[*:1] Cc1nc(CNC(=O)NNC(=O)C[*:1])sc1C
CCOCC(=O)NNC(=O)NCc1nc(C)c(C)s1 CCOC[*:1] Cc1nc(CNC(=O)NNC(=O)[*:1])sc1C
COCCn1cnnc1S[C@@H](C)C(=O)Nc1ccc2ccccc2c1 COCC[*:1] C[C@H](Sc1nncn1[*:1])C(=O)Nc1ccc2ccccc2c1
COCCn1cnnc1S[C@@H](C)C(=O)Nc1ccc2ccccc2c1 COC[*:1] C[C@H](Sc1nncn1C[*:1])C(=O)Nc1ccc2ccccc2c1
COC(=O)[C@H](NC(=O)c1ccccc1C(F)(F)F)C(C)(C)C CC(C)(C)[*:1] COC(=O)[C@H](NC(=O)c1ccccc1C(F)(F)F)[*:1]
COC(=O)[C@H](NC(=O)c1ccccc1C(F)(F)F)C(C)(C)C FC(F)(F)[*:1] COC(=O)[C@H](NC(=O)c1ccccc1[*:1])C(C)(C)C
COC(=O)[C@H](NC(=O)c1ccccc1C(F)(F)F)C(C)(C)C COC(=O)[*:1] CC(C)(C)[C@@H](NC(=O)c1ccccc1C(F)(F)F)[*:1]
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)N(C)CC(=O)N[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cn(C)c(=O)cc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(=O)n(C)cc1NC(=O)[C@@H]1CCC(=O)N1[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cn(C)c(=O)cc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(=O)n(C)cc1NC(=O)[C@@H]1CCC(=O)N1C[*:1]
COc1ccc2nc(C)nc(NC[C@H]3CC[C@@H](C(=O)N(C)C)O3)c2c1 CN(C)C(=O)[*:1] COc1ccc2nc(C)nc(NC[C@H]3CC[C@@H](O3)[*:1])c2c1
COc1ccc(Cl)cc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1C(=O)N1CCN(CC1)[C@H](C#N)[*:1]
Cc1ccc(OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(OC(=O)C2CCN(CC2)C(=O)[*:1])c(C)c1
Cc1ccc(OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(O[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1
CN(CCNc1ccc(Cl)c(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCNc1ccc(Cl)c(Cl)c1)[*:1]
C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([N+]2=CCCC2)C1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)N1CC[C@H](C1)[N+]1=CCCC1)[*:1]
C[C@H](NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(F)cn1 Clc1ccccc1[*:1] C[C@H](NC[C@H](N1CCOCC1)[*:1])c1ccc(F)cn1
C[C@H](NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(F)cn1 C1CN(CCO1)[*:1] C[C@H](NC[C@H](c1ccccc1Cl)[*:1])c1ccc(F)cn1
C[C@H](NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H](NC[C@H](c1ccccc1Cl)N1CCOCC1)[*:1]
Cc1cc(C)nc(-n2ncc3c2C[C@@H](/C=C/c2ccccc2)CC3=O)n1 C(=C[*:1])c1ccccc1 Cc1cc(C)nc(n1)-n1ncc2C(=O)C[C@H](Cc21)[*:1]
Cc1cc(C)nc(-n2ncc3c2C[C@@H](/C=C/c2ccccc2)CC3=O)n1 Cc1cc(C)nc(n1)[*:1] O=C1C[C@H](/C=C/c2ccccc2)Cc2c1cnn2[*:1]
Cc1cc(C)nc(-n2ncc3c2C[C@@H](/C=C/c2ccccc2)CC3=O)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)-n1ncc2C(=O)C[C@H](C=C[*:1])Cc21
CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCC(=O)Nc1ccc(cc1)[N-]S(=O)(=O)c1cc(C)c(C)cc1[*:1]
CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 CCC(=O)N[*:1] Cc1cc(c(cc1C)S(=O)(=O)[N-]c1ccc(cc1)[*:1])[N+](=O)[O-]
C[NH2+][C@@H](C)c1sc(N(C)CCS(C)(=O)=O)nc1C CS(=O)(=O)CC[*:1] C[NH2+][C@@H](C)c1sc(nc1C)N(C)[*:1]
C[NH2+][C@@H](C)c1sc(N(C)CCS(C)(=O)=O)nc1C CS(=O)(=O)C[*:1] C[NH2+][C@@H](C)c1sc(nc1C)N(C)C[*:1]
C[NH2+][C@@H](C)c1sc(N(C)CCS(C)(=O)=O)nc1C CS(=O)(=O)[*:1] C[NH2+][C@@H](C)c1sc(nc1C)N(C)CC[*:1]
O=C(C=C(C1CC1)C1CC1)Nc1ccccc1-n1cccn1 C1CC1[*:1] O=C(C=C(C1CC1)[*:1])Nc1ccccc1-n1cccn1
O=C(C=C(C1CC1)C1CC1)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] O=C(C=C(C1CC1)C1CC1)Nc1ccccc1[*:1]
C[NH2+][C@@H](c1ccccc1)[C@@H]1CCc2cccnc21 c1ccc(cc1)[*:1] C[NH2+][C@@H]([C@@H]1CCc2cccnc21)[*:1]
CCOc1cc(F)ccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 CCO[*:1] O=C(Nc1ccc(F)cc1[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1
CCOc1cc(F)ccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] CCOc1cc(F)ccc1NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1csc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)n1 CC(C)(C)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)c1c(C)nc([nH]c1=O)[*:1]
Cc1csc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)n1 Cc1csc(n1)[*:1] Cc1nc([nH]c(=O)c1C(=O)N[C@H](C)[*:1])C(C)(C)C
CO[C@H](c1ccccc1)N1C(=O)C(C(=O)OC(C)(C)C)=C[C@@H]1C CC(C)(C)OC(=O)[*:1] CO[C@H](c1ccccc1)N1C(=O)C(=C[C@@H]1C)[*:1]
CO[C@H](c1ccccc1)N1C(=O)C(C(=O)OC(C)(C)C)=C[C@@H]1C CC(C)(C)[*:1] CO[C@H](c1ccccc1)N1C(=O)C(=C[C@@H]1C)C(=O)O[*:1]
CO[C@H](c1ccccc1)N1C(=O)C(C(=O)OC(C)(C)C)=C[C@@H]1C c1ccc(cc1)[*:1] CO[C@H](N1C(=O)C(=C[C@@H]1C)C(=O)OC(C)(C)C)[*:1]
CC1=C(C)C[C@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)[C@@H](C(=O)[O-])C1 Cc1ccc(cc1C)[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)C(=O)NNC(=O)[C@H](C)O[*:1]
CC1=C(C)C[C@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)[C@@H](C(=O)[O-])C1 Cc1ccc(cc1C)O[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)C(=O)NNC(=O)[C@H](C)[*:1]
CC1=C(C)C[C@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC1C[C@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)[C@@H](CC=1C)[*:1]
CNC(=O)c1cc(C(F)(F)F)nc(C(F)(F)F)c1 CNC(=O)[*:1] FC(F)(F)c1cc(cc(n1)C(F)(F)F)[*:1]
CNC(=O)c1cc(C(F)(F)F)nc(C(F)(F)F)c1 FC(F)(F)[*:1] CNC(=O)c1cc(nc(c1)[*:1])C(F)(F)F
CCn1nc(C)c(CNC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)c1C C1CCC(C1)[*:1] CCn1nc(C)c(CNC(=O)Nc2ccc(cc2C)C(=O)N[*:1])c1C
CCn1nc(C)c(CNC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)c1C O=C(NC1CCCC1)[*:1] CCn1nc(C)c(CNC(=O)Nc2ccc(cc2C)[*:1])c1C
CCn1nc(C)c(CNC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)c1C CCn1nc(C)c(c1C)[*:1] Cc1cc(ccc1NC(=O)NC[*:1])C(=O)NC1CCCC1
C[C@H]1C[C@H](C)CCN1C(=O)/C=C/c1ccc(OCC#N)cc1 N#CC[*:1] C[C@H]1C[C@H](C)CCN1C(=O)/C=C/c1ccc(cc1)O[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)/C=C/c1ccc(OCC#N)cc1 N#CCO[*:1] C[C@H]1C[C@H](C)CCN1C(=O)/C=C/c1ccc(cc1)[*:1]
C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 Clc1cccc(c1)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1ccc2OCCOc2c1
C[C@H](c1ccncc1)N(C)C(=O)N[C@H]1CCCC1(C)C c1cc(ccn1)[*:1] C[C@H](N(C)C(=O)N[C@H]1CCCC1(C)C)[*:1]
Cn1cc(COC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cn1 Cn1cc(cn1)[*:1] O=C(CCc1nc(no1)-c1ccc(Cl)cc1)OC[*:1]
Cn1cc(COC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cn1 Clc1ccc(cc1)[*:1] Cn1cc(cn1)COC(=O)CCc1nc(no1)[*:1]
Cn1cc(COC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cn1 Cn1cc(cn1)C[*:1] O=C(CCc1nc(no1)-c1ccc(Cl)cc1)O[*:1]
CC(C)c1cc(-n2cnc(C#N)n2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1cc(nc(n1)[*:1])-n1cnc(C#N)n1
CC(C)c1cc(-n2cnc(C#N)n2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1nc(cc(n1)[*:1])-n1cnc(C#N)n1
CCCn1/c(=N/C(=O)Cc2csc(C)n2)[nH]c2ccccc21 Cc1nc(cs1)C[*:1] CCCn1/c(=N/C(=O)[*:1])[nH]c2ccccc21
CCCn1/c(=N/C(=O)Cc2csc(C)n2)[nH]c2ccccc21 Cc1nc(cs1)[*:1] CCCn1/c(=N/C(=O)C[*:1])[nH]c2ccccc21
CCCn1/c(=N/C(=O)Cc2csc(C)n2)[nH]c2ccccc21 CCC[*:1] Cc1nc(cs1)CC(=O)/N=c1\[nH]c2ccccc2n1[*:1]
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 Clc1ccc(c(Br)c1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cc1)C(=O)NC(C)(C)C
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)[*:1] C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 Clc1ccc(O[*:1])c(Br)c1 C[C@H](C(=O)Nc1ccc(cc1)C(=O)NC(C)(C)C)[*:1]
CCCn1cc[nH+]c1CCCC(=O)CC CCC(=O)[*:1] CCCn1cc[nH+]c1CCC[*:1]
CCCn1cc[nH+]c1CCCC(=O)CC CCC[*:1] CCC(=O)CCCc1[nH+]ccn1[*:1]
CCCn1cc[nH+]c1CCCC(=O)CC CCC(=O)C[*:1] CCCn1cc[nH+]c1CC[*:1]
COCc1ccccc1[C@H](C[NH3+])N1C[C@@H](C)[C@H](C)C1 COC[*:1] C[C@@H]1CN(C[C@H]1C)[C@@H](C[NH3+])c1ccccc1[*:1]
O=C(COc1ccc(Cl)cc1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)C1C2CC3CC(C2)CC1C3
O=C(COc1ccc(Cl)cc1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)C1C2CC3CC(C2)CC1C3
O=C(COc1ccc(Cl)cc1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 Clc1ccc(cc1)OC[*:1] O=C(N1CCN(CC1)C1C2CC3CC(C2)CC1C3)[*:1]
Cc1ccc(CNC(=O)c2cc3c([nH]c2=O)C[C@H](C)CC3=O)o1 Cc1ccc(C[*:1])o1 C[C@@H]1CC(=O)c2cc(C(=O)N[*:1])c(=O)[nH]c2C1
Cc1ccc(CNC(=O)c2cc3c([nH]c2=O)C[C@H](C)CC3=O)o1 Cc1ccc(o1)[*:1] C[C@@H]1CC(=O)c2cc(C(=O)NC[*:1])c(=O)[nH]c2C1
Cc1ccc([C@@H](C[NH2+]C2CC2)Cc2nccs2)cc1 c1csc(n1)[*:1] Cc1ccc(cc1)[C@@H](C[NH2+]C1CC1)C[*:1]
Cc1ccc([C@@H](C[NH2+]C2CC2)Cc2nccs2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](C[NH2+][*:1])Cc1nccs1
Cc1ccc([C@@H](C[NH2+]C2CC2)Cc2nccs2)cc1 c1csc(C[*:1])n1 Cc1ccc(cc1)[C@@H](C[NH2+]C1CC1)[*:1]
O=C(NC1CC1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 C1CC1[*:1] O=C(N[*:1])N1CC[NH+](CC1)[C@@H]1C[C@H]2CC[C@@H]1C2
C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 C=CC[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])N[C@@H]1CCCC[C@@H]1CO
C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 C=CCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CCCC[C@@H]1CO
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc[n+]([O-])c1 [O-][n+]1cccc(c1)[*:1] O=C(NCc1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
CCc1nc(C[NH2+][C@@H](C)c2cccc3ccccc23)cs1 CCc1nc(cs1)[*:1] C[C@H]([NH2+]C[*:1])c1cccc2ccccc12
CCOc1ccc(CNC(=O)c2ccc(CC)cc2)cc1 CCO[*:1] CCc1ccc(cc1)C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(CNC(=O)CNC(=O)Nc2c(C)cccc2C)cc1 Cc1cccc(C)c1[*:1] COc1ccc(cc1)CNC(=O)CNC(=O)N[*:1]
COc1ccc(CNC(=O)CNC(=O)Nc2c(C)cccc2C)cc1 COc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)NCC(=O)NC[*:1]
Cc1nc(CNC(=O)N(C)[C@H](C)Cc2ccsc2)no1 Cc1nc(no1)[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)NC[*:1]
Cc1nc(CNC(=O)N(C)[C@H](C)Cc2ccsc2)no1 c1cc(cs1)C[*:1] Cc1nc(CNC(=O)N(C)[C@H](C)[*:1])no1
Cc1nc(CNC(=O)N(C)[C@H](C)Cc2ccsc2)no1 c1cc(cs1)[*:1] Cc1nc(CNC(=O)N(C)[C@H](C)C[*:1])no1
CC(=O)Nc1cc(NC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)ccc1F CC(C)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)[C@@H](C)Oc1cccc(c1)[*:1]
CC(=O)Nc1cc(NC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)ccc1F CC(=O)N[*:1] CC(C)c1cccc(c1)O[C@H](C)C(=O)Nc1ccc(F)c(c1)[*:1]
C#Cc1cccc(NC(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] C#Cc1cccc(c1)NC(=O)N[*:1]
COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] COC(=O)c1ccc(c(c1)NC(=S)NC(=O)[*:1])N1CCOCC1
COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 C1CN(CCO1)[*:1] COC(=O)c1ccc(c(c1)NC(=S)NC(=O)c1ccc(C)c(C)c1)[*:1]
COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 COC(=O)[*:1] Cc1ccc(cc1C)C(=O)NC(=S)Nc1cc(ccc1N1CCOCC1)[*:1]
C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H]([C@@H]1C)[*:1]
CC(C)(CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[*:1]
CC(C)(CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccncc1 c1coc(c1)C[*:1] CC(C)(CNC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccncc1
CC(C)(CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccncc1 c1coc(c1)[*:1] CC(C)(CNC(=O)[C@H]1CC(=O)N(C1)C[*:1])c1ccncc1
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCSCC(N)=O)C1 NC(=O)[*:1] CO[C@H]1C[C@H](C(=O)[O-])N(C1)C(=O)CCSC[*:1]
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCSCC(N)=O)C1 NC(=O)C[*:1] CO[C@H]1C[C@H](C(=O)[O-])N(C1)C(=O)CCS[*:1]
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCSCC(N)=O)C1 NC(=O)CS[*:1] CO[C@H]1C[C@H](C(=O)[O-])N(C1)C(=O)CC[*:1]
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCSCC(N)=O)C1 O=C([O-])[*:1] CO[C@H]1C[C@H](N(C1)C(=O)CCSCC(N)=O)[*:1]
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCSCC(N)=O)C1 NC(=O)CSC[*:1] CO[C@H]1C[C@H](C(=O)[O-])N(C1)C(=O)C[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)N(C)C[C@H](C)c2ccccc2)ccc1Cl c1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1Cl)NC(=O)C(=O)N(C)C[C@H](C)[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)N(C)C[C@H](C)c2ccccc2)ccc1Cl CC(=O)N[*:1] C[C@@H](CN(C)C(=O)C(=O)Nc1ccc(Cl)c(c1)[*:1])c1ccccc1
CC(=O)Nc1cc(NC(=O)C(=O)N(C)C[C@H](C)c2ccccc2)ccc1Cl C[C@H](c1ccccc1)[*:1] CC(=O)Nc1cc(ccc1Cl)NC(=O)C(=O)N(C)C[*:1]
CCc1cc(CNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)on1 CCc1cc(C[*:1])on1 O=C(N[*:1])N1CCn2c(C1)nnc2-c1ccccc1
CCc1cc(CNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)on1 c1ccc(cc1)[*:1] CCc1cc(CNC(=O)N2CCn3c(C2)nnc3[*:1])on1
CCc1cc(CNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)on1 CCc1cc(on1)[*:1] O=C(NC[*:1])N1CCn2c(C1)nnc2-c1ccccc1
CC(=O)c1cccc(OCc2cc(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)no2)c1 CC(=O)[*:1] O=C(c1cc(COc2cccc(c2)[*:1])on1)N1CC[C@H]2CCCC[C@@H]2C1
CC(=O)c1cccc(OCc2cc(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)no2)c1 CC(=O)c1cccc(c1)[*:1] O=C(c1cc(CO[*:1])on1)N1CC[C@H]2CCCC[C@@H]2C1
C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCCCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCCCC[C@H]1[*:1]
C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCCCC[C@@H]1c1ccncc1 N#Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N1CCCCC[C@@H]1c1ccncc1
Cc1cc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(C)n1CC(F)(F)F FC(F)(F)[*:1] Cc1cc(C(=O)CN2CCN(CC2)C(=O)c2ccco2)c(C)n1C[*:1]
Cc1cc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(C)n1CC(F)(F)F c1coc(c1)[*:1] Cc1cc(C(=O)CN2CCN(CC2)C(=O)[*:1])c(C)n1CC(F)(F)F
Cc1cc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(C)n1CC(F)(F)F FC(F)(F)C[*:1] Cc1cc(C(=O)CN2CCN(CC2)C(=O)c2ccco2)c(C)n1[*:1]
C[NH2+][C@@H](Cc1ccc(F)c(F)c1)c1sccc1C Cc1ccsc1[*:1] C[NH2+][C@@H](Cc1ccc(F)c(F)c1)[*:1]
Cn1cnn(CN(Cc2ccccn2)[C@@H]2CCSC2)c1=S Cn1cnn(c1=S)[*:1] c1ccc(CN(C[*:1])[C@@H]2CCSC2)nc1
Cn1cnn(CN(Cc2ccccn2)[C@@H]2CCSC2)c1=S c1ccc(C[*:1])nc1 Cn1cnn(CN([C@@H]2CCSC2)[*:1])c1=S
Cn1cnn(CN(Cc2ccccn2)[C@@H]2CCSC2)c1=S c1ccc(nc1)[*:1] Cn1cnn(CN(C[*:1])[C@@H]2CCSC2)c1=S
Cc1ccc(S[C@@H]2CC[C@@]([NH3+])(C(N)=O)C2)cc1 NC(=O)[*:1] Cc1ccc(cc1)S[C@@H]1CC[C@@]([NH3+])(C1)[*:1]
CCC([NH3+])(CC)C(=O)NCC[NH+](C)C1CC1 C1CC1[*:1] CCC([NH3+])(CC)C(=O)NCC[NH+](C)[*:1]
CCCOc1cc(CNc2ccnc(C(C)C)n2)ccn1 CCCO[*:1] CC(C)c1nccc(n1)NCc1ccnc(c1)[*:1]
CCCOc1cc(CNc2ccnc(C(C)C)n2)ccn1 CC(C)[*:1] CCCOc1cc(ccn1)CNc1ccnc(n1)[*:1]
CCCOc1cc(CNc2ccnc(C(C)C)n2)ccn1 CCC[*:1] CC(C)c1nccc(n1)NCc1ccnc(c1)O[*:1]
COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]Cc2ccc(NC(C)=O)cc2)cc1 CC(=O)Nc1ccc(cc1)[*:1] COc1ccc(cc1)-n1ncc2c1CC(C)(C)C[C@H]2[NH2+]C[*:1]
COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]Cc2ccc(NC(C)=O)cc2)cc1 CC(=O)N[*:1] COc1ccc(cc1)-n1ncc2c1CC(C)(C)C[C@H]2[NH2+]Cc1ccc(cc1)[*:1]
COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]Cc2ccc(NC(C)=O)cc2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2[*:1]
CCCCN(C(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(NCC(F)(F)F)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] CCCCN(C(=O)NC[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 FC(F)(F)C[*:1] CCCCN(C(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(NCC(F)(F)F)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(NC(=O)c2ccc(Br)o2)cc1N1CCCCC1=O Brc1ccc(o1)[*:1] Cc1ccc(cc1N1CCCCC1=O)NC(=O)[*:1]
Cc1ccc(NC(=O)c2ccc(Br)o2)cc1N1CCCCC1=O O=C1CCCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccc(Br)o1
O=C(c1ccc(Cl)cc1)N1CCC[C@H](OCc2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C1)OC[*:1]
O=C(c1ccc(Cl)cc1)N1CCC[C@H](OCc2ccc(F)c(F)c2)C1 Clc1ccc(cc1)[*:1] O=C(N1CCC[C@@H](C1)OCc1ccc(F)c(F)c1)[*:1]
Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(Cl)c1 O=C([O-])[*:1] Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)c(c2)[*:1])c(Cl)c1
CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H](C)OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H](C)OC[*:1]
CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H](C)OC[C@H]1CCCO1 Clc1cccc(c1)[*:1] CC(C)N(C[*:1])C(=O)[C@@H](C)OC[C@H]1CCCO1
CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H](C)OC[C@H]1CCCO1 C1CO[C@H](C1)CO[*:1] CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H](C)[*:1]
CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H](C)OC[C@H]1CCCO1 CC(C)[*:1] C[C@@H](OC[C@H]1CCCO1)C(=O)N(Cc1cccc(Cl)c1)[*:1]
CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H](C)OC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H](C)O[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)(C)c3ccncc3)C2)nc1 Cc1ccc(nc1)[*:1] CC(C)(CNC(=O)N1CCC[C@@H](C1)C(=O)N[*:1])c1ccncc1
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)(C)c3ccncc3)C2)nc1 c1cc(ccn1)[*:1] Cc1ccc(nc1)NC(=O)[C@H]1CCCN(C1)C(=O)NCC(C)(C)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)(C)c3ccncc3)C2)nc1 CC(C)(c1ccncc1)[*:1] Cc1ccc(nc1)NC(=O)[C@H]1CCCN(C1)C(=O)NC[*:1]
Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 Cc1ccccc1[*:1] N#Cc1c(NC(=S)NC(=O)[*:1])sc2CCCCc21
COc1cc(-c2nnc(SCc3cc(C)ccc3C)n2N)cc(OC)c1OC Cc1ccc(C)c(c1)C[*:1] COc1cc(cc(OC)c1OC)-c1nnc(S[*:1])n1N
COc1cc(-c2nnc(SCc3cc(C)ccc3C)n2N)cc(OC)c1OC Cc1ccc(C)c(c1)[*:1] COc1cc(cc(OC)c1OC)-c1nnc(SC[*:1])n1N
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cnn(-c2ccccc2)n1 NC(=O)[*:1] O=C(c1cnn(n1)-c1ccccc1)N1Cc2ccccc2C[C@H]1[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cnn(n1)[*:1]
CC(=O)N1c2ccccc2C[C@H]1C(=O)N(Cc1ccccc1)[C@@H](C)CCO OCC[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)N(Cc1ccccc1)[C@@H](C)[*:1]
CC(=O)N1c2ccccc2C[C@H]1C(=O)N(Cc1ccccc1)[C@@H](C)CCO c1ccc(cc1)C[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)N([C@@H](C)CCO)[*:1]
CC(=O)N1c2ccccc2C[C@H]1C(=O)N(Cc1ccccc1)[C@@H](C)CCO c1ccc(cc1)[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C[*:1])[C@@H](C)CCO
Cc1cccc(NC(=O)c2cccs2)c1Cl c1csc(c1)[*:1] Cc1cccc(NC(=O)[*:1])c1Cl
Cn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1cn2ccccc2[nH+]1 c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])S(=O)(=O)Cc1cn2ccccc2[nH+]1
CC(C)[C@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O CC(C)[*:1] O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@@H]1[*:1]
CCNC(=O)NC(=O)[C@H](C)[NH2+]CCC(=O)NC1CC1 O=C(NC1CC1)[*:1] CCNC(=O)NC(=O)[C@H](C)[NH2+]CC[*:1]
CCNC(=O)NC(=O)[C@H](C)[NH2+]CCC(=O)NC1CC1 C1CC1[*:1] CCNC(=O)NC(=O)[C@H](C)[NH2+]CCC(=O)N[*:1]
CC(C)C[C@H](CNC(=O)Nc1ccc2c(c1)COC2)N1CCOCC1 CC(C)[*:1] O=C(NC[C@@H](C[*:1])N1CCOCC1)Nc1ccc2COCc2c1
CC(C)C[C@H](CNC(=O)Nc1ccc2c(c1)COC2)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@H](CNC(=O)Nc1ccc2COCc2c1)[*:1]
CC(C)C[C@H](CNC(=O)Nc1ccc2c(c1)COC2)N1CCOCC1 CC(C)C[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])Nc1ccc2COCc2c1
C[C@H](C(=O)Oc1ccccc1F)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](C(=O)Oc1ccccc1F)[*:1]
O=C(CSc1nnnn1-c1ccccc1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])c1ccc2OCCOc2c1
CC[C@@H](CCO)C[NH2+]Cc1cnc2cc(C)nn2c1 OCC[*:1] CC[C@@H](C[NH2+]Cc1cnc2cc(C)nn2c1)[*:1]
CC[C@@H](CCO)C[NH2+]Cc1cnc2cc(C)nn2c1 CC[C@@H](CCO)[*:1] Cc1cc2ncc(cn2n1)C[NH2+]C[*:1]
Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O CC(C)[*:1] Cc1cccc(c1NC(=O)C(=O)N[C@H]1CCN(C1=O)c1ccccc1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] Cc1cccc(c1NC(=O)C(=O)N[C@H]1CCN(C1=O)[*:1])C(C)C
Cc1c(NC(=O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)c1cccc(Cl)c1
Cn1c(CCNC(=O)/C=C/c2c(Cl)nc3sccn23)n[nH]c1=S Cn1c(n[nH]c1=S)[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)NCC[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)c1cc(nc2ccccc12)-c1ccncc1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)c1cc(nc2ccccc12)[*:1])[N+](=O)[O-]
O=C(COC(=O)c1ccc2ccccc2c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])c1ccc2ccccc2c1
C[NH2+][C@H](c1ccccc1)[C@@H](C)S[C@H](C)CCO C[C@H](CCO)[*:1] C[NH2+][C@H](c1ccccc1)[C@@H](C)S[*:1]
C[NH2+][C@H](c1ccccc1)[C@@H](C)S[C@H](C)CCO OCC[*:1] C[NH2+][C@H](c1ccccc1)[C@@H](C)S[C@H](C)[*:1]
CCNC(=O)NNC(=O)/C=C/c1ccc(-c2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] CCNC(=O)NNC(=O)/C=C/c1ccc(s1)[*:1]
CCCN(CC1CC1)C(=O)[C@H](C)Nc1ccc2c(c1)CC(=O)N2 CCC[*:1] C[C@H](Nc1ccc2NC(=O)Cc2c1)C(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)[C@H](C)Nc1ccc2c(c1)CC(=O)N2 C1CC1[*:1] CCCN(C[*:1])C(=O)[C@H](C)Nc1ccc2NC(=O)Cc2c1
CCCN(CC1CC1)C(=O)[C@H](C)Nc1ccc2c(c1)CC(=O)N2 C1CC1C[*:1] CCCN(C(=O)[C@H](C)Nc1ccc2NC(=O)Cc2c1)[*:1]
Cc1cc(C)n(-c2nc3nonc3nc2Nc2ccccc2F)n1 Fc1ccccc1N[*:1] Cc1cc(C)n(n1)-c1nc2nonc2nc1[*:1]
Cc1cc(C)n(-c2nc3nonc3nc2Nc2ccccc2F)n1 Fc1ccccc1[*:1] Cc1cc(C)n(n1)-c1nc2nonc2nc1N[*:1]
Cc1cc(C)n(-c2nc3nonc3nc2Nc2ccccc2F)n1 Cc1cc(C)n(n1)[*:1] Fc1ccccc1Nc1nc2nonc2nc1[*:1]
CCOc1cc(C)ccc1NC(=O)N1CC[C@H](C)[C@H](O)C1 CCO[*:1] Cc1ccc(NC(=O)N2CC[C@H](C)[C@H](O)C2)c(c1)[*:1]
C[C@@H](CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cscn1)Cn1cccn1 c1nc(cs1)[*:1] C[C@@H](CN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1[*:1])Cn1cccn1
C[C@@H](CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cscn1)Cn1cccn1 O=C([O-])[*:1] C[C@@H](CN1C(=O)CC[C@@H]([C@H]1c1cscn1)[*:1])Cn1cccn1
C[C@@H](CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cscn1)Cn1cccn1 C[C@@H](Cn1cccn1)[*:1] O=C([O-])[C@@H]1CCC(=O)N(C[*:1])[C@@H]1c1cscn1
C[C@@H](CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cscn1)Cn1cccn1 c1cnn(c1)C[*:1] C[C@@H](CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cscn1)[*:1]
C[C@@H](CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cscn1)Cn1cccn1 c1cnn(c1)[*:1] C[C@@H](CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cscn1)C[*:1]
O=C(c1ccc2c(c1)OCO2)N1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(c1ccc2OCOc2c1)N1CC[C@](O)(C1)[*:1]
O=C(Nc1cc(F)ccc1SCC(F)F)c1cc[nH]n1 c1cc(n[nH]1)[*:1] O=C(Nc1cc(F)ccc1SCC(F)F)[*:1]
O=C(Nc1cc(F)ccc1SCC(F)F)c1cc[nH]n1 FC(F)[*:1] O=C(Nc1cc(F)ccc1SC[*:1])c1cc[nH]n1
O=C(Nc1cc(F)ccc1SCC(F)F)c1cc[nH]n1 FC(F)CS[*:1] O=C(Nc1cc(F)ccc1[*:1])c1cc[nH]n1
O=C(Nc1cc(F)ccc1SCC(F)F)c1cc[nH]n1 FC(F)C[*:1] O=C(Nc1cc(F)ccc1S[*:1])c1cc[nH]n1
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)C(C)(C)C)CC1 COC(=O)[*:1] CC(C)(C)C(=O)N1CCN(CC1)[C@H](c1cccc(C#N)c1)[*:1]
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)C(C)(C)C)CC1 N#Cc1cccc(c1)[*:1] COC(=O)[C@@H](N1CCN(CC1)C(=O)C(C)(C)C)[*:1]
C[C@@H](Sc1ccccn1)C(=O)NCCNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](Sc1ccccn1)C(=O)NCCNC(=O)[*:1]
C[C@@H](Sc1ccccn1)C(=O)NCCNC(=O)c1ccccc1Cl c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)NCCNC(=O)c1ccccc1Cl
C[C@@H](Sc1ccccn1)C(=O)NCCNC(=O)c1ccccc1Cl c1ccc(nc1)S[*:1] C[C@@H](C(=O)NCCNC(=O)c1ccccc1Cl)[*:1]
CC(C)NC(=O)c1cccc([C@@H]2CCCN(C(=O)NC(C)C)C2)c1 CC(C)[*:1] CC(C)NC(=O)c1cccc(c1)[C@@H]1CCCN(C1)C(=O)N[*:1]
CC(C)NC(=O)c1cccc([C@@H]2CCCN(C(=O)NC(C)C)C2)c1 CC(C)NC(=O)[*:1] CC(C)NC(=O)N1CCC[C@H](C1)c1cccc(c1)[*:1]
CC(C)NC(=O)c1cccc([C@@H]2CCCN(C(=O)NC(C)C)C2)c1 CC(C)[*:1] CC(C)NC(=O)N1CCC[C@H](C1)c1cccc(c1)C(=O)N[*:1]
Cc1ccc(NC(C)(C)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1 Cc1ccc(cc1)N[*:1] C[NH+]1CCN(CC1)c1ncccc1CNC(=O)C(C)(C)[*:1]
Cc1ccc(NC(C)(C)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1 Cc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ncccc1CNC(=O)C(C)(C)N[*:1]
CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1 CNS(=O)(=O)[*:1] Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cccc(c1)[*:1]
CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1 Cc1ccccc1[*:1] CNS(=O)(=O)c1cccc(c1)CNC(=O)[C@@H]1C[C@@H]1[*:1]
COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 COC(=O)[C@H](C)[*:1] N#Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N[*:1]
COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)c(c1)[*:1]
COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 COC(=O)[*:1] C[C@H](NS(=O)(=O)c1ccc(C#N)c(c1)C(F)(F)F)[*:1]
CCOc1cc(NC(=O)N2CCCC[C@H]2CO)ccc1C CCO[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CCCC[C@H]1CO
CNc1snc(C)c1C(=O)NCc1ccc(S(=O)(=O)NC)cc1 CNS(=O)(=O)[*:1] CNc1snc(C)c1C(=O)NCc1ccc(cc1)[*:1]
Cc1c(N(CCC#N)CCC(C)C)cc(C#N)cc1[N+](=O)[O-] N#CCC[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N(CCC(C)C)[*:1]
Cc1c(N(CCC#N)CCC(C)C)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])N(CCC#N)CCC(C)C
Cc1c(N(CCC#N)CCC(C)C)cc(C#N)cc1[N+](=O)[O-] N#CC[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N(CCC(C)C)C[*:1]
Cc1c(N(CCC#N)CCC(C)C)cc(C#N)cc1[N+](=O)[O-] CC(C)C[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N(CCC#N)C[*:1]
Cc1c(N(CCC#N)CCC(C)C)cc(C#N)cc1[N+](=O)[O-] CC(C)CC[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N(CCC#N)[*:1]
Cc1c(N(CCC#N)CCC(C)C)cc(C#N)cc1[N+](=O)[O-] CC(C)[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N(CCC#N)CC[*:1]
[NH3+][C@]1(CO)CC[C@H](OCC2CC2)C1 C1CC1C[*:1] [NH3+][C@]1(CO)CC[C@@H](C1)O[*:1]
[NH3+][C@]1(CO)CC[C@H](OCC2CC2)C1 C1CC1[*:1] [NH3+][C@]1(CO)CC[C@@H](C1)OC[*:1]
O=C(Nc1cc(F)cc(F)c1)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] O=C(Nc1cc(F)cc(F)c1)Nc1cnn(c1)[*:1]
COc1ccc2c(C)c(C(=O)NCc3cc(=O)[nH]cn3)oc2c1 O=c1cc(nc[nH]1)[*:1] COc1ccc2c(C)c(oc2c1)C(=O)NC[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)NNC(=O)c2ccc(Br)s2)C1 Brc1ccc(s1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NNC(=O)[*:1]
CCC(=O)c1cc(F)ccc1OCC(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CCC(=O)c1cc(F)ccc1OCC(=O)N[*:1]
CCC(=O)c1cc(F)ccc1OCC(=O)Nc1cccc(C#N)c1 CCC(=O)[*:1] N#Cc1cccc(c1)NC(=O)COc1ccc(F)cc1[*:1]
Cc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc3cccnc32)cc1 Fc1ccc(cc1Cl)[*:1] Cc1ccc(cc1)-n1c(CN2CCN(CC2)S(=O)(=O)[*:1])nc2cccnc21
Cc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc3cccnc32)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(CC1)Cc1nc2cccnc2n1[*:1]
C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C2CCCCCCC2)CC1 C1CCC(C1)[*:1] C[C@@H](C(=O)N[*:1])N1CC[NH+](CC1)C1CCCCCCC1
C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C2CCCCCCC2)CC1 O=C(NC1CCCC1)[*:1] C[C@@H](N1CC[NH+](CC1)C1CCCCCCC1)[*:1]
C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C2CCCCCCC2)CC1 C1CCCC(CCC1)[*:1] C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CC1)[*:1]
CCn1cc[nH+]c1C1CCN(C(=O)Nc2ccccc2C(C)C)CC1 CC(C)[*:1] CCn1cc[nH+]c1C1CCN(CC1)C(=O)Nc1ccccc1[*:1]
O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 FC(F)(F)[*:1] O=C(CCc1ccco1)N1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 c1coc(c1)CC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F)[*:1]
O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 c1coc(c1)C[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F
O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 c1coc(c1)[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F
COc1ccc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)s1 COc1ccc(s1)[*:1] O[C@@H](C[C@@H]1COCCN1C[*:1])c1cccs1
COc1ccc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)s1 c1csc(c1)[*:1] COc1ccc(CN2CCOC[C@H]2C[C@H](O)[*:1])s1
COc1ccc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)s1 O[C@H](c1cccs1)[*:1] COc1ccc(CN2CCOC[C@H]2C[*:1])s1
Cc1ncc([C@@H](C)NCc2ccc[nH+]c2N2CCC[C@H](C(N)=O)C2)s1 Cc1ncc(s1)[*:1] C[C@@H](NCc1ccc[nH+]c1N1CCC[C@@H](C1)C(N)=O)[*:1]
Cc1ncc([C@@H](C)NCc2ccc[nH+]c2N2CCC[C@H](C(N)=O)C2)s1 NC(=O)[*:1] Cc1ncc(s1)[C@@H](C)NCc1ccc[nH+]c1N1CCC[C@H](C1)[*:1]
Cc1ncc([C@@H](C)NCc2ccc[nH+]c2N2CCC[C@H](C(N)=O)C2)s1 Cc1ncc(s1)[C@@H](C)[*:1] NC(=O)[C@H]1CCCN(C1)c1[nH+]cccc1CN[*:1]
CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1cscc1C Cc1cscc1[*:1] CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[*:1]
CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccccc3O)[C@@H]1[C@H]2C Oc1ccccc1[*:1] CC1=C[C@H](C)[C@@]2(CO)CO[C@H]([C@@H]1[C@H]2C)[*:1]
CN(CC(C)(C)O)C(=O)Nc1ccc(Br)c2ccccc12 CC(C)(O)[*:1] CN(C[*:1])C(=O)Nc1ccc(Br)c2ccccc12
CN(CC(C)(C)O)C(=O)Nc1ccc(Br)c2ccccc12 CC(C)(O)C[*:1] CN(C(=O)Nc1ccc(Br)c2ccccc12)[*:1]
CCc1nn(C)cc1CNc1ccc2cc([N+](=O)[O-])ccc2n1 O=[N+]([O-])[*:1] CCc1nn(C)cc1CNc1ccc2cc(ccc2n1)[*:1]
CN(CCc1ccncc1)c1ncnc2ccccc12 c1cc(ccn1)[*:1] CN(CC[*:1])c1ncnc2ccccc12
CC[C@@H]([NH2+]CC1CCCCC1)c1ccc(O)cc1 C1CCC(CC1)[*:1] CC[C@@H]([NH2+]C[*:1])c1ccc(O)cc1
Cc1ccc(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)Nc1nnc(SCC(=O)[*:1])s1
Cc1ccc(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)c1ccccc1
Cc1ccc(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 O=C(c1ccccc1)[*:1] Cc1ccc(cc1)C(=O)Nc1nnc(SC[*:1])s1
Fc1cc(F)cc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 c1cc(n[nH]1)[*:1] Fc1cc(F)cc(c1)C[NH+]1CCC(CC1)[*:1]
O=C(CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)NC12CC3CC(CC(C3)C1)C2 Fc1ccc(F)c(c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])NC12CC3CC(CC(C3)C1)C2
CC1(C)C[C@H]2C[C@](C)(CN2C(=O)CO/N=C/c2ccc(OC(F)F)cc2)C1 FC(F)[*:1] CC1(C)C[C@H]2C[C@](C)(CN2C(=O)CO/N=C/c2ccc(cc2)O[*:1])C1
CC1(C)C[C@H]2C[C@](C)(CN2C(=O)CO/N=C/c2ccc(OC(F)F)cc2)C1 FC(F)O[*:1] CC1(C)C[C@H]2C[C@](C)(CN2C(=O)CO/N=C/c2ccc(cc2)[*:1])C1
C[C@H](NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1)c1ccccc1Br Brc1ccccc1[*:1] C[C@H](NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1)[*:1]
COCc1nc(C)cc(N[C@@H]2CCOC3(CCCC3)C2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N[C@@H]1CCOC2(CCCC2)C1
O=C([O-])c1cnc(OCC2CC2)c(Cl)c1 C1CC1[*:1] O=C([O-])c1cnc(OC[*:1])c(Cl)c1
O=C([O-])c1cnc(OCC2CC2)c(Cl)c1 C1CC1C[*:1] O=C([O-])c1cnc(O[*:1])c(Cl)c1
O=C([O-])c1cnc(OCC2CC2)c(Cl)c1 O=C([O-])[*:1] Clc1cc(cnc1OCC1CC1)[*:1]
O=C([O-])c1cnc(OCC2CC2)c(Cl)c1 C1CC1CO[*:1] O=C([O-])c1cnc(c(Cl)c1)[*:1]
Cn1cccc1C(=O)NNC(=O)c1ccc(Cl)cc1N1CCCC1=O Cn1cccc1[*:1] O=C(NNC(=O)[*:1])c1ccc(Cl)cc1N1CCCC1=O
Cn1cccc1C(=O)NNC(=O)c1ccc(Cl)cc1N1CCCC1=O O=C1CCCN1[*:1] Cn1cccc1C(=O)NNC(=O)c1ccc(Cl)cc1[*:1]
N#Cc1cn(C2CC2)c(=O)n([C@@H]2C=CCCC2)c1=O C1CC1[*:1] N#Cc1cn(c(=O)n(c1=O)[C@@H]1C=CCCC1)[*:1]
Cc1cc(C)cc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@@H]3CS2(=O)=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O)N[*:1]
O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(C[C@@H]1SC(=NC1=O)N1CCCCC1)Nc1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
CCC[C@@H](NC(=O)c1ccc(Cl)o1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)c1ccc(Cl)o1)[*:1]
CCC[C@@H](NC(=O)c1ccc(Cl)o1)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)c1ccc(Cl)o1)[*:1]
COC(=O)c1cc(-c2ccc(OC)cc2OC)nc2onc(C(C)C)c12 CC(C)[*:1] COC(=O)c1cc(nc2onc(c12)[*:1])-c1ccc(cc1OC)OC
COC(=O)c1cc(-c2ccc(OC)cc2OC)nc2onc(C(C)C)c12 COC(=O)[*:1] COc1ccc(-c2cc(c3c(noc3n2)C(C)C)[*:1])c(c1)OC
C[C@@H](Cl)c1nc2cnccc2n1[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](Cl)c1nc2cnccc2n1[C@H](C)[*:1]
C[C@@H](Cl)c1nc2cnccc2n1[C@H](C)c1ccncc1 C[C@@H](Cl)[*:1] C[C@H](c1ccncc1)n1c(nc2cnccc21)[*:1]
CC(C)[C@H]([NH3+])C(=O)NCc1cccc(C#N)c1 CC(C)[*:1] N#Cc1cccc(c1)CNC(=O)[C@@H]([NH3+])[*:1]
CC[C@](C)(NC(=O)N[C@@H]1C[C@@H]1C)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)N[C@@H]1C[C@@H]1C)[*:1]
CC[C@](C)(NC(=O)N[C@@H]1C[C@@H]1C)C(=O)[O-] C[C@H]1C[C@H]1[*:1] CC[C@](C)(NC(=O)N[*:1])C(=O)[O-]
CCC[C@H](NC(=O)Cc1ccc(C)c(O)c1)c1nnc2ccccn12 CCC[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](c1nnc2ccccn12)[*:1]
CCC[C@H](NC(=O)Cc1ccc(C)c(O)c1)c1nnc2ccccn12 Cc1ccc(cc1O)[*:1] CCC[C@H](NC(=O)C[*:1])c1nnc2ccccn12
CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnc(-c2ccccc2)s1 CNC(=O)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)C(=O)N1CCC[C@H]1[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnc(s1)[*:1]
CCCc1cc(C(=O)Nc2ccc3c4c(cccc24)CC3)n(C)n1 CCC[*:1] Cn1nc(cc1C(=O)Nc1ccc2CCc3cccc1c32)[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)NCC(C)(C)[NH+]2CCCCC2)n1 Cc1nc(C)n(n1)[*:1] CC(C)(CNC(=O)Nc1ccccc1[*:1])[NH+]1CCCCC1
CCOc1cc([C@H]2CC(=O)NC3=NC(SCc4ccccc4F)=NC(=O)[C@H]32)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)SCc1ccccc1F
CCOc1cc([C@H]2CC(=O)NC3=NC(SCc4ccccc4F)=NC(=O)[C@H]32)ccc1OC Fc1ccccc1[*:1] CCOc1cc(ccc1OC)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)SC[*:1]
CCOc1cc([C@H]2CC(=O)NC3=NC(SCc4ccccc4F)=NC(=O)[C@H]32)ccc1OC Fc1ccccc1C[*:1] CCOc1cc(ccc1OC)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)S[*:1]
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccc(C)cc4)c3C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1ncc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c1C
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccc(C)cc4)c3C)CC2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cnn(c1C)[*:1]
COc1cccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)c1 COc1cccc(c1)[*:1] O=C(Cn1ccc2cc(ccc21)S(=O)(=O)N1CCCCCC1)NC[*:1]
COc1cccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)c1 O=S(=O)(N1CCCCCC1)[*:1] COc1cccc(c1)CNC(=O)Cn1ccc2cc(ccc21)[*:1]
COc1cccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)c1 COc1cccc(c1)C[*:1] O=C(Cn1ccc2cc(ccc21)S(=O)(=O)N1CCCCCC1)N[*:1]
Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1[*:1]
Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1C[*:1]
C[C@H](NC(=O)C[C@@H](O)c1ccccc1)c1ccc(C#N)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C[C@@H](O)[*:1])c1ccc(C#N)cc1
Cc1ccccc1NC(=O)Cc1nc(CN(C)c2ccccc2)cs1 Cc1ccccc1[*:1] CN(Cc1csc(CC(=O)N[*:1])n1)c1ccccc1
Cc1ccccc1NC(=O)Cc1nc(CN(C)c2ccccc2)cs1 CN(c1ccccc1)[*:1] Cc1ccccc1NC(=O)Cc1nc(cs1)C[*:1]
Cc1ccccc1NC(=O)Cc1nc(CN(C)c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)Cc1nc(cs1)CN(C)[*:1]
CC(=O)N1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)[*:1]
CC(=O)N1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H](C[*:1])NC(=O)c1ccc(Cl)cc1
CC(=O)N1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 CC(C)C[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H](NC(=O)c1ccc(Cl)cc1)[*:1]
CC(C)=C1Oc2cc(OC(=O)[C@H](C)Cl)cc(C)c2C1=O C[C@H](Cl)C(=O)O[*:1] CC(C)=C1Oc2cc(cc(C)c2C1=O)[*:1]
CC(C)=C1Oc2cc(OC(=O)[C@H](C)Cl)cc(C)c2C1=O C[C@H](Cl)[*:1] CC(C)=C1Oc2cc(cc(C)c2C1=O)OC(=O)[*:1]
CCO[C@@H](C)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 CCO[C@@H](C)[*:1] CN(C(=O)[*:1])[C@@H]1CCCN(C1)c1ccccc1
CCO[C@@H](C)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 CCO[*:1] C[C@@H](C(=O)N(C)[C@@H]1CCCN(C1)c1ccccc1)[*:1]
CCO[C@@H](C)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CCO[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C1)[*:1]
CCc1ccccc1NC(=O)N1CCC[C@H]1C(=O)N1CCSCC1 O=C(N1CCSCC1)[*:1] CCc1ccccc1NC(=O)N1CCC[C@@H]1[*:1]
CCc1ccccc1NC(=O)N1CCC[C@H]1C(=O)N1CCSCC1 CCc1ccccc1[*:1] O=C([C@@H]1CCCN1C(=O)N[*:1])N1CCSCC1
Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)[nH]n2)cc1C c1cc2OCOc2cc1C[*:1] Cc1ccc(cc1C)-c1cc([nH]n1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)[nH]n2)cc1C Cc1ccc(cc1C)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)[nH]n2)cc1C c1cc2OCOc2cc1[*:1] Cc1ccc(cc1C)-c1cc([nH]n1)C(=O)N1CCN(CC1)C[*:1]
O=C(c1cc(-c2ccccc2)ns1)N1CCO[C@@H](c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(c1cc(ns1)-c1ccccc1)N1CCO[C@@H](C1)[*:1]
O=C(c1cc(-c2ccccc2)ns1)N1CCO[C@@H](c2ccccc2F)C1 c1ccc(cc1)[*:1] O=C(c1cc(ns1)[*:1])N1CCO[C@H](C1)c1ccccc1F
CN(Cc1cnccn1)Cc1ccc(-c2c(F)cccc2F)o1 c1cnc(cn1)C[*:1] CN(Cc1ccc(o1)-c1c(F)cccc1F)[*:1]
CN(Cc1cnccn1)Cc1ccc(-c2c(F)cccc2F)o1 c1cnc(cn1)[*:1] CN(Cc1ccc(o1)-c1c(F)cccc1F)C[*:1]
COc1ccc(CNC(=O)CSCC(F)(F)F)cc1F FC(F)(F)[*:1] COc1ccc(cc1F)CNC(=O)CSC[*:1]
COc1ccc(CNC(=O)CSCC(F)(F)F)cc1F FC(F)(F)CS[*:1] COc1ccc(cc1F)CNC(=O)C[*:1]
COc1ccc(CNC(=O)CSCC(F)(F)F)cc1F FC(F)(F)C[*:1] COc1ccc(cc1F)CNC(=O)CS[*:1]
c1coc([C@@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)N2CCCC2)c1 C1CCN(C1)[*:1] c1coc(c1)[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)[*:1]
c1coc([C@@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)N2CCCC2)c1 c1coc(c1)[*:1] c1cc2NC[C@@H](C[NH2+]C[C@@H](N3CCCC3)[*:1])Cn2n1
CCC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccn1 CCC[*:1] C[C@@H]1CC(C[C@@H](C)O1)[NH2+][C@H](c1ccccn1)[*:1]
CCC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccn1 c1ccc(nc1)[*:1] CCC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[*:1]
C[C@H]1C[C@@H](NC(=O)N(C)CC2CC2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](NC(=O)N(C)CC2CC2)C(=O)N1[*:1]
C[C@H]1C[C@@H](NC(=O)N(C)CC2CC2)C(=O)N1c1ccccc1 C1CC1[*:1] C[C@H]1C[C@@H](NC(=O)N(C)C[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@@H](NC(=O)N(C)CC2CC2)C(=O)N1c1ccccc1 C1CC1C[*:1] C[C@H]1C[C@@H](NC(=O)N(C)[*:1])C(=O)N1c1ccccc1
O=c1oc(-c2cccs2)nn1Cc1cccc(F)c1 c1csc(c1)[*:1] O=c1oc(nn1Cc1cccc(F)c1)[*:1]
CC(C)CC[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 CC(C)[*:1] O=C1COc2ccc(cc2N1)C(=O)N1CC[NH+](CC1)CC[*:1]
CC(C)CC[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 CC(C)CC[*:1] O=C1COc2ccc(cc2N1)C(=O)N1CC[NH+](CC1)[*:1]
CC(C)CC[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 CC(C)C[*:1] O=C1COc2ccc(cc2N1)C(=O)N1CC[NH+](CC1)C[*:1]
COC(=O)[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 COC(=O)[*:1] Cc1ccc(cc1)[C@H]1N[C@](C)([C@@H]2C(=O)N(C(=O)[C@H]12)c1ccc(C)cc1)[*:1]
COC(=O)[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 Cc1ccc(cc1)[*:1] COC(=O)[C@@]1(C)N[C@H]([C@H]2C(=O)N(C(=O)[C@H]21)c1ccc(C)cc1)[*:1]
COC(=O)[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 Cc1ccc(cc1)[*:1] COC(=O)[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(C(=O)[C@H]21)[*:1]
CC[C@@H](NC(=O)C1=Cc2cc(OC)ccc2OC1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)C1=Cc2cc(ccc2OC1)OC)[*:1]
Cc1cccc2c(C(=O)N3CCC(C)(C)C3)cc(-c3cnc(C4CC4)nc3)nc12 c1nc(ncc1[*:1])C1CC1 Cc1cccc2c(cc(nc12)[*:1])C(=O)N1CCC(C)(C)C1
Cc1cccc2c(C(=O)N3CCC(C)(C)C3)cc(-c3cnc(C4CC4)nc3)nc12 C1CC1[*:1] Cc1cccc2c(cc(nc12)-c1cnc(nc1)[*:1])C(=O)N1CCC(C)(C)C1
Cc1cccc2c(C(=O)N3CCC(C)(C)C3)cc(-c3cnc(C4CC4)nc3)nc12 CC1(C)CCN(C1)C(=O)[*:1] Cc1cccc2c(cc(nc12)-c1cnc(nc1)C1CC1)[*:1]
O=C(c1cccc(-n2nc([O-])ccc2=O)c1)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(c1cccc(c1)-n1nc([O-])ccc1=O)N(Cc1ccccc1)[*:1]
O=C(c1cccc(-n2nc([O-])ccc2=O)c1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C(c1cccc(c1)-n1nc([O-])ccc1=O)N(C1CC1)[*:1]
O=C(c1cccc(-n2nc([O-])ccc2=O)c1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)-n1nc([O-])ccc1=O)N(C[*:1])C1CC1
C[C@H](SCC(=O)N(C)CC1CCCCC1)[C@@H](C)O C1CCC(CC1)[*:1] C[C@H](SCC(=O)N(C)C[*:1])[C@@H](C)O
C[C@H](SCC(=O)N(C)CC1CCCCC1)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](SCC(=O)N(C)CC1CCCCC1)[*:1]
O=C(NCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCC1 C1CCC(C1)[*:1] O=C(CNC(=O)[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
CC[C@@H](CCO)NC(=O)Nc1cccc([C@@H](C)OC)c1 CC[C@@H](CCO)[*:1] CO[C@H](C)c1cccc(c1)NC(=O)N[*:1]
CC[C@@H](CCO)NC(=O)Nc1cccc([C@@H](C)OC)c1 CO[C@H](C)[*:1] CC[C@@H](CCO)NC(=O)Nc1cccc(c1)[*:1]
CC[C@@H](CCO)NC(=O)Nc1cccc([C@@H](C)OC)c1 OCC[*:1] CC[C@@H](NC(=O)Nc1cccc(c1)[C@@H](C)OC)[*:1]
CCCC[C@H](CC)CNc1cn[nH]c(=O)n1 CCCC[*:1] CC[C@H](CNc1cn[nH]c(=O)n1)[*:1]
CCCC[C@H](CC)CNc1cn[nH]c(=O)n1 CCC[*:1] CC[C@H](CNc1cn[nH]c(=O)n1)C[*:1]
CCNC(=O)c1ccc(NC(=O)/C=C(/C)C(C)(C)C)c(C)c1 CCNC(=O)[*:1] C/C(=C/C(=O)Nc1ccc(cc1C)[*:1])C(C)(C)C
CCNC(=O)c1ccc(NC(=O)/C=C(/C)C(C)(C)C)c(C)c1 CC(=C[*:1])C(C)(C)C CCNC(=O)c1ccc(NC(=O)[*:1])c(C)c1
CCNC(=O)c1ccc(NC(=O)/C=C(/C)C(C)(C)C)c(C)c1 CC(C)(C)[*:1] CCNC(=O)c1ccc(NC(=O)C=C(C)[*:1])c(C)c1
CC1=C(C)C[C@@H](C(=O)[O-])[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 O=C([O-])[*:1] CC1C[C@H](C(=O)Nc2cccc(c2)C(F)(F)F)[C@H](CC=1C)[*:1]
CC1=C(C)C[C@@H](C(=O)[O-])[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CC1C[C@H](C(=O)Nc2cccc(c2)[*:1])[C@@H](CC=1C)C(=O)[O-]
Cc1cc(C(=O)N2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)on1 Cc1cc(on1)[*:1] O=C(N1CCC[C@H](C1)c1nc(ncc1-c1ccncc1)N1CCOCC1)[*:1]
Cc1cc(C(=O)N2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)on1 c1cc(ccn1)[*:1] Cc1cc(on1)C(=O)N1CCC[C@H](C1)c1nc(ncc1[*:1])N1CCOCC1
Cc1cc(C(=O)N2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)on1 C1CN(CCO1)[*:1] Cc1cc(on1)C(=O)N1CCC[C@H](C1)c1nc(ncc1-c1ccncc1)[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)NC1CCCCC1 COC[*:1] O=S(=O)(NC1CCCCC1)c1cc(Cl)ccc1OC[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)NC1CCCCC1 COCC[*:1] O=S(=O)(NC1CCCCC1)c1cc(Cl)ccc1O[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)NC1CCCCC1 COCCO[*:1] O=S(=O)(NC1CCCCC1)c1cc(Cl)ccc1[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)NC1CCCCC1 C1CCC(CC1)[*:1] COCCOc1ccc(Cl)cc1S(=O)(=O)N[*:1]
C[C@@H](CCCO)NC(=O)N(CC1CC1)C1CCCCC1 C[C@@H](CCCO)[*:1] O=C(N[*:1])N(CC1CC1)C1CCCCC1
C[C@@H](CCCO)NC(=O)N(CC1CC1)C1CCCCC1 OCC[*:1] C[C@@H](C[*:1])NC(=O)N(CC1CC1)C1CCCCC1
C[C@@H](CCCO)NC(=O)N(CC1CC1)C1CCCCC1 C1CC1[*:1] C[C@@H](CCCO)NC(=O)N(C[*:1])C1CCCCC1
C[C@@H](CCCO)NC(=O)N(CC1CC1)C1CCCCC1 OCCC[*:1] C[C@@H](NC(=O)N(CC1CC1)C1CCCCC1)[*:1]
C[C@@H](CCCO)NC(=O)N(CC1CC1)C1CCCCC1 C1CC1C[*:1] C[C@@H](CCCO)NC(=O)N(C1CCCCC1)[*:1]
C[C@@H](CCCO)NC(=O)N(CC1CC1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](CCCO)NC(=O)N(CC1CC1)[*:1]
O=C(C[S@@](=O)c1cccc(F)c1)NCc1ccccc1F Fc1cccc(c1)[*:1] O=C(C[S@@](=O)[*:1])NCc1ccccc1F
O=C(C[S@@](=O)c1cccc(F)c1)NCc1ccccc1F Fc1ccccc1[*:1] O=C(C[S@@](=O)c1cccc(F)c1)NC[*:1]
O=C(CC[C@@H]1CCCO1)N[C@@H](c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] O=C(CC[C@@H]1CCCO1)N[C@@H](C1CCCC1)[*:1]
O=C(CC[C@@H]1CCCO1)N[C@@H](c1ccccc1F)C1CCCC1 C1CO[C@@H](C1)[*:1] O=C(CC[*:1])N[C@@H](c1ccccc1F)C1CCCC1
O=C(CC[C@@H]1CCCO1)N[C@@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] O=C(CC[C@@H]1CCCO1)N[C@@H](c1ccccc1F)[*:1]
O=C(CC[C@@H]1CCCO1)N[C@@H](c1ccccc1F)C1CCCC1 C1CO[C@@H](C1)CC[*:1] O=C(N[C@@H](c1ccccc1F)C1CCCC1)[*:1]
O=C(CC[C@@H]1CCCO1)N[C@@H](c1ccccc1F)C1CCCC1 C1CO[C@@H](C1)C[*:1] O=C(C[*:1])N[C@@H](c1ccccc1F)C1CCCC1
O=C(NCCc1cccs1)C1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 c1csc(c1)[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)c1cc2CCc3ccccc3-c2s1
O=C(NCCc1cccs1)C1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 O=C(NCCc1cccs1)[*:1] O=C(c1cc2CCc3ccccc3-c2s1)N1CCC(CC1)[*:1]
O=C(NCCc1cccs1)C1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 c1csc(c1)CC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cc2CCc3ccccc3-c2s1
O=C(NCCc1cccs1)C1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 c1csc(c1)C[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1cc2CCc3ccccc3-c2s1
Cc1ccc(S(=O)(=O)CCCn2c3c(sc2=O)C[C@H](C)CC3)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc(=O)n2CCCS(=O)(=O)[*:1]
COc1cccc(OCc2nc(C#N)c(NC[C@@H]3CCCO3)o2)c1 COc1cccc(c1)[*:1] N#Cc1nc(CO[*:1])oc1NC[C@@H]1CCCO1
COc1cccc(OCc2nc(C#N)c(NC[C@@H]3CCCO3)o2)c1 C1CO[C@@H](C1)[*:1] COc1cccc(c1)OCc1nc(C#N)c(NC[*:1])o1
c1ccc(CNc2nc3ncccc3nc2-c2ccccc2)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)-c1nc2cccnc2nc1N[*:1]
c1ccc(CNc2nc3ncccc3nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)CNc1nc2ncccc2nc1[*:1]
c1ccc(CNc2nc3ncccc3nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nc2cccnc2nc1NC[*:1]
c1ccc(CNc2nc3ncccc3nc2-c2ccccc2)cc1 c1ccc(cc1)CN[*:1] c1ccc(cc1)-c1nc2cccnc2nc1[*:1]
C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(N3CCCNC3=O)c2)C1 O=C1NCCCN1[*:1] C[C@@H]1CCC[C@H](C1)C(=O)Nc1cccc(c1)[*:1]
CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2C)c1 CON(C)S(=O)(=O)[*:1] Cc1ccccc1[C@@H](C)NC(=O)c1cccc(c1)[*:1]
CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2C)c1 Cc1ccccc1[*:1] CON(C)S(=O)(=O)c1cccc(c1)C(=O)N[C@H](C)[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)[C@H](C)c1ccccc1 NC(=O)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1F)[*:1])[C@H](C)c1ccccc1
C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1F)C(N)=O)[C@H](C)[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1F)C(N)=O)[*:1]
Cc1cc(C)cc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c1 CC(C)(C)[*:1] Cc1cc(C)cc(c1)[C@H]1CCN(C[C@@H]1[NH3+])C(=O)O[*:1]
CC(C)N(CC(=O)[O-])C(=O)C[C@@H]1CCCCO1 O=C([O-])[*:1] CC(C)N(C[*:1])C(=O)C[C@@H]1CCCCO1
CC(C)N(CC(=O)[O-])C(=O)C[C@@H]1CCCCO1 O=C([O-])C[*:1] CC(C)N(C(=O)C[C@@H]1CCCCO1)[*:1]
CC(C)N(CC(=O)[O-])C(=O)C[C@@H]1CCCCO1 CC(C)[*:1] O=C([O-])CN(C(=O)C[C@@H]1CCCCO1)[*:1]
COC(=O)CC1CC[NH+](Cc2cn(-c3ccccc3)nc2C)CC1 c1ccc(cc1)[*:1] COC(=O)CC1CC[NH+](CC1)Cc1cn(nc1C)[*:1]
COC(=O)CC1CC[NH+](Cc2cn(-c3ccccc3)nc2C)CC1 COC(=O)[*:1] Cc1nn(cc1C[NH+]1CCC(CC1)C[*:1])-c1ccccc1
COC(=O)CC1CC[NH+](Cc2cn(-c3ccccc3)nc2C)CC1 COC(=O)C[*:1] Cc1nn(cc1C[NH+]1CCC(CC1)[*:1])-c1ccccc1
Nc1ccc2cc3c(nc2n1)CCN(CCCc1ccccc1)C3 c1ccc(cc1)CC[*:1] Nc1ccc2cc3CN(CCc3nc2n1)C[*:1]
Nc1ccc2cc3c(nc2n1)CCN(CCCc1ccccc1)C3 c1ccc(cc1)[*:1] Nc1ccc2cc3CN(CCC[*:1])CCc3nc2n1
Nc1ccc2cc3c(nc2n1)CCN(CCCc1ccccc1)C3 c1ccc(cc1)C[*:1] Nc1ccc2cc3CN(CCc3nc2n1)CC[*:1]
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 C=CC(=O)N[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCCC1
C[C@@H](NC(=O)c1cccc2ccccc12)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)c1cccc2ccccc12)c1noc(n1)[*:1]
C[C@@H](NC(=O)c1cccc2ccccc12)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cccc2ccccc12)c1noc(C[*:1])n1
CN(C)S(=O)(=O)c1ccsc1C(=O)NCC[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] CN(C)S(=O)(=O)c1ccsc1C(=O)NCC[*:1]
CN(C)S(=O)(=O)c1ccsc1C(=O)NCC[C@@H](O)c1ccccc1 CN(C)S(=O)(=O)[*:1] O=C(NCC[C@@H](O)c1ccccc1)c1sccc1[*:1]
CN(C)S(=O)(=O)c1ccsc1C(=O)NCC[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccsc1C(=O)NCC[C@@H](O)[*:1]
Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](c1ccccc1)C1CCCC1)C2 C1CCC(C1)[*:1] Cc1cn2C[C@H](CCc2[nH+]1)[NH2+][C@H](c1ccccc1)[*:1]
Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](c1ccccc1)C1CCCC1)C2 c1ccc(cc1)[*:1] Cc1cn2C[C@H](CCc2[nH+]1)[NH2+][C@H](C1CCCC1)[*:1]
O=C(CCCN1C(=O)CNC1=O)NCC1(c2ccccc2)CCC1 O=C1CNC(=O)N1C[*:1] O=C(CC[*:1])NCC1(CCC1)c1ccccc1
O=C(CCCN1C(=O)CNC1=O)NCC1(c2ccccc2)CCC1 O=C1CNC(=O)N1[*:1] O=C(CCC[*:1])NCC1(CCC1)c1ccccc1
O=C(CCCN1C(=O)CNC1=O)NCC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(CCCN1C(=O)CNC1=O)NCC1(CCC1)[*:1]
CCn1c(S[C@H](C)C(=O)NC(N)=O)nc2ccsc2c1=O NC(=O)NC(=O)[*:1] CCn1c(nc2ccsc2c1=O)S[C@H](C)[*:1]
COCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)Cc2cc(C)on2)[C@H]3C1=O Cc1cc(C[*:1])no1 COCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)[*:1])[C@H]3C1=O
COCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)Cc2cc(C)on2)[C@H]3C1=O Cc1cc(no1)[*:1] COCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)C[*:1])[C@H]3C1=O
COCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)Cc2cc(C)on2)[C@H]3C1=O COC[*:1] Cc1cc(CN(C)C(=O)[C@@H]2[C@H]3C=C[C@]4(CN(C[*:1])C(=O)[C@H]24)O3)no1
COCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N(C)Cc2cc(C)on2)[C@H]3C1=O COCC[*:1] Cc1cc(CN(C)C(=O)[C@@H]2[C@H]3C=C[C@]4(CN(C(=O)[C@H]24)[*:1])O3)no1
O=C(Cc1cc(-c2ccc(F)cc2F)on1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cc(on1)-c1ccc(F)cc1F)N[*:1]
O=C(NCc1ccccc1)[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1ccnc(n1)-c1ccccc1
O=C(NCc1ccccc1)[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1)[C@@H]1CCCN(C1)c1ccnc(n1)[*:1]
O=C(NCc1ccccc1)[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 c1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccnc(n1)-c1ccccc1
COc1ccccc1N1CCN(C2=NC(=O)C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)N2)CC1 FC(F)(F)c1ccccc1[*:1] COc1ccccc1N1CCN(CC1)C1=NC(=O)C[C@H](N1)C(=O)N[*:1]
COc1ccccc1N1CCN(C2=NC(=O)C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)N2)CC1 COc1ccccc1[*:1] O=C1C[C@H](NC(=N1)N1CCN(CC1)[*:1])C(=O)Nc1ccccc1C(F)(F)F
COc1ccccc1N1CCN(C2=NC(=O)C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)N2)CC1 FC(F)(F)[*:1] COc1ccccc1N1CCN(CC1)C1=NC(=O)C[C@H](N1)C(=O)Nc1ccccc1[*:1]
C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cnn(C)c1 Fc1cccc(c1)[*:1] C[C@@H]([NH2+]CCCNC(=O)[*:1])c1cnn(C)c1
C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)[*:1]
CCOc1ccc(-n2c(C)c(C(=O)OC)c3cc(OC)ccc32)cc1 CCO[*:1] COC(=O)c1c(C)n(-c2ccc(cc2)[*:1])c2ccc(cc12)OC
CCOc1ccc(-n2c(C)c(C(=O)OC)c3cc(OC)ccc32)cc1 COC(=O)[*:1] CCOc1ccc(cc1)-n1c(C)c(c2cc(ccc21)OC)[*:1]
NS(=O)(=O)c1ccc(NC(=O)C2=NN=C3c4ccccc4OC[C@H]23)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1=NN=C2c3ccccc3OC[C@H]12
COc1ccc2c(c1)=C(CCN1C=C[C@@H]3C(=CNc4nc(-c5ccncc5)nn43)C1=O)C[NH+]=2 c1cc(ccn1)[*:1] COc1ccc2=[NH+]CC(CCN3C=C[C@@H]4C(=CNc5nc(nn54)[*:1])C3=O)=c2c1
Cc1ccc2ncc(C[NH+]3CCC(Nc4ccccc4)CC3)n2c1 c1ccc(cc1)N[*:1] Cc1ccc2ncc(C[NH+]3CCC(CC3)[*:1])n2c1
Cc1ccc2ncc(C[NH+]3CCC(Nc4ccccc4)CC3)n2c1 c1ccc(cc1)[*:1] Cc1ccc2ncc(C[NH+]3CCC(CC3)N[*:1])n2c1
O=C(CN1CCN(C[C@@H](O)c2cccs2)CC1)N1CCCCCC1 c1csc(c1)[*:1] O=C(CN1CCN(CC1)C[C@@H](O)[*:1])N1CCCCCC1
O=C(CN1CCN(C[C@@H](O)c2cccs2)CC1)N1CCCCCC1 O[C@H](C[*:1])c1cccs1 O=C(CN1CCN(CC1)[*:1])N1CCCCCC1
COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1nc(-c2ccccc2F)sc1[C@H](C)NCc1cccc(N(C)C)[nH+]1 CN(C)[*:1] Cc1nc(sc1[C@H](C)NCc1cccc([nH+]1)[*:1])-c1ccccc1F
Cc1nc(-c2ccccc2F)sc1[C@H](C)NCc1cccc(N(C)C)[nH+]1 Fc1ccccc1[*:1] Cc1nc(sc1[C@H](C)NCc1cccc([nH+]1)N(C)C)[*:1]
O=[N+]([O-])c1c(NC[C@@H]2CCN(c3ccccc3)C2)ccc2ncccc12 c1ccc(cc1)[*:1] O=[N+]([O-])c1c(ccc2ncccc12)NC[C@@H]1CCN(C1)[*:1]
O=[N+]([O-])c1c(NC[C@@H]2CCN(c3ccccc3)C2)ccc2ncccc12 O=[N+]([O-])[*:1] c1ccc(cc1)N1CC[C@@H](CNc2ccc3ncccc3c2[*:1])C1
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(c1)[*:1]
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)N/N=C/c1cccc(c1)C(F)(F)F
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(C(F)(F)F)c1 c1ccc(cc1)S[*:1] C[C@@H](C(=O)N/N=C/c1cccc(c1)C(F)(F)F)[*:1]
CCc1ccc(NC(=O)C(=O)NCc2ccnc(OC3CCC3)c2)cc1 C1CC(C1)[*:1] CCc1ccc(cc1)NC(=O)C(=O)NCc1ccnc(c1)O[*:1]
CCc1ccc(NC(=O)C(=O)NCc2ccnc(OC3CCC3)c2)cc1 C1CC(C1)O[*:1] CCc1ccc(cc1)NC(=O)C(=O)NCc1ccnc(c1)[*:1]
CCc1ccc(NC(=O)C(=O)NCc2ccnc(OC3CCC3)c2)cc1 CCc1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)OC1CCC1)C(=O)N[*:1]
COc1cccc(OS(=O)(=O)CCOC(C)C)c1 CC(C)O[*:1] COc1cccc(c1)OS(=O)(=O)CC[*:1]
COc1cccc(OS(=O)(=O)CCOC(C)C)c1 CC(C)[*:1] COc1cccc(c1)OS(=O)(=O)CCO[*:1]
COc1cccc(OS(=O)(=O)CCOC(C)C)c1 CC(C)OC[*:1] COc1cccc(c1)OS(=O)(=O)C[*:1]
COc1cccc(OS(=O)(=O)CCOC(C)C)c1 CC(C)OCC[*:1] COc1cccc(c1)OS(=O)(=O)[*:1]
Cc1cc(NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)no1 CC(C)(C)[*:1] Cc1cc(no1)NC(=O)CC1CN(C1)C(=O)O[*:1]
Cc1cc(NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)no1 Cc1cc(no1)[*:1] CC(C)(C)OC(=O)N1CC(CC(=O)N[*:1])C1
Cn1cccc1C(=O)NNC(=O)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] Cn1cccc1C(=O)NNC(=O)c1ccc(nc1)[*:1]
Cn1cccc1C(=O)NNC(=O)c1ccc(OCC(F)F)nc1 FC(F)[*:1] Cn1cccc1C(=O)NNC(=O)c1ccc(nc1)OC[*:1]
Cn1cccc1C(=O)NNC(=O)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] Cn1cccc1C(=O)NNC(=O)c1ccc(nc1)O[*:1]
Cn1cccc1C(=O)NNC(=O)c1ccc(OCC(F)F)nc1 Cn1cccc1[*:1] O=C(NNC(=O)[*:1])c1ccc(nc1)OCC(F)F
COc1cc2c(cc1OC)CN(C(=O)c1cc(C)n(CC(F)(F)F)c1C)CC2 FC(F)(F)C[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)c1cc(C)n(c1C)[*:1]
COc1cc2c(cc1OC)CN(C(=O)c1cc(C)n(CC(F)(F)F)c1C)CC2 FC(F)(F)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)c1cc(C)n(C[*:1])c1C
CCC[C@@H]1CN(C(=O)Nc2nnc(CC(C)C)s2)CCO1 CC(C)[*:1] CCC[C@@H]1CN(CCO1)C(=O)Nc1nnc(C[*:1])s1
CCC[C@@H]1CN(C(=O)Nc2nnc(CC(C)C)s2)CCO1 CCC[*:1] CC(C)Cc1nnc(NC(=O)N2CCO[C@@H](C2)[*:1])s1
CCC[C@@H]1CN(C(=O)Nc2nnc(CC(C)C)s2)CCO1 CC(C)C[*:1] CCC[C@@H]1CN(CCO1)C(=O)Nc1nnc(s1)[*:1]
O=C(Nc1ccc(F)cc1)[C@H]1CNCCN1C(=O)Cc1c[nH]c2ccccc12 Fc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CNCCN1C(=O)Cc1c[nH]c2ccccc12
O=C(Nc1ccc(F)cc1)[C@H]1CNCCN1C(=O)Cc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CNCCN1C(=O)C[*:1]
Cc1noc(C)c1CC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 Cc1noc(C)c1[*:1] O=C(C[*:1])NC[C@@H](c1ccc(Cl)cc1)n1cccn1
Cc1noc(C)c1CC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1CC(=O)NC[C@@H](n1cccn1)[*:1]
Cc1noc(C)c1CC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 c1cnn(c1)[*:1] Cc1noc(C)c1CC(=O)NC[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1noc(C)c1CC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 Cc1noc(C)c1C[*:1] O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)[*:1]
CNC(=O)c1ccc(/C=C/C(=O)N2CCOC[C@H]2CC(C)C)cc1 CNC(=O)[*:1] CC(C)C[C@@H]1COCCN1C(=O)/C=C/c1ccc(cc1)[*:1]
CNC(=O)c1ccc(/C=C/C(=O)N2CCOC[C@H]2CC(C)C)cc1 CC(C)C[*:1] CNC(=O)c1ccc(/C=C/C(=O)N2CCOC[C@@H]2[*:1])cc1
CNC(=O)c1ccc(/C=C/C(=O)N2CCOC[C@H]2CC(C)C)cc1 CC(C)[*:1] CNC(=O)c1ccc(/C=C/C(=O)N2CCOC[C@H]2C[*:1])cc1
CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)[S@](C)=O)cc1 C[S@](=O)[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)[NH2+]C[C@H](C)[*:1]
CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)[S@](C)=O)cc1 CC(C)O[*:1] C[C@@H](C[NH2+][C@H](C)c1ccc(cc1)[*:1])[S@](C)=O
CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)[S@](C)=O)cc1 CC(C)[*:1] C[C@@H](C[NH2+][C@H](C)c1ccc(cc1)O[*:1])[S@](C)=O
Cc1cccc(N2CCN(C(=O)NCc3cccnc3OC3CCCC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCc1cccnc1OC1CCCC1)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(C(=O)NCc3cccnc3OC3CCCC3)CC2)c1 C1CCC(C1)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)NCc1cccnc1O[*:1]
Cc1cccc(N2CCN(C(=O)NCc3cccnc3OC3CCCC3)CC2)c1 C1CCC(C1)O[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)NCc1cccnc1[*:1]
CC[C@](O)(c1ccc(O)cc1)[C@H](F)C(=O)[O-] O=C([O-])[*:1] CC[C@](O)(c1ccc(O)cc1)[C@H](F)[*:1]
C[C@H](Cc1ccsc1)Nc1nc(-c2cccnc2)nc2c1cnn2C c1cc(cs1)[*:1] C[C@H](C[*:1])Nc1nc(nc2c1cnn2C)-c1cccnc1
C[C@H](Cc1ccsc1)Nc1nc(-c2cccnc2)nc2c1cnn2C c1cncc(c1)[*:1] C[C@H](Cc1ccsc1)Nc1nc(nc2c1cnn2C)[*:1]
C[C@H](Cc1ccsc1)Nc1nc(-c2cccnc2)nc2c1cnn2C c1cc(cs1)C[*:1] C[C@H](Nc1nc(nc2c1cnn2C)-c1cccnc1)[*:1]
CCSc1ccccc1C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 CCS[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccccc1F)c1ccccc1[*:1]
CCSc1ccccc1C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 CCSc1ccccc1[*:1] O=C(c1ccccc1F)N1CCC(CC1)CNC(=O)[*:1]
CCSc1ccccc1C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CCSc1ccccc1C(=O)NCC1CCN(CC1)C(=O)[*:1]
O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1cc2ccccc2oc1=O O=C1CCCN1C[*:1] O=C(NCc1ccccc1-c1ccc(cc1)[*:1])c1cc2ccccc2oc1=O
O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1cc2ccccc2oc1=O O=c1oc2ccccc2cc1[*:1] O=C1CCCN1Cc1ccc(cc1)-c1ccccc1CNC(=O)[*:1]
O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1cc2ccccc2oc1=O O=C1CCCN1[*:1] O=C(NCc1ccccc1-c1ccc(cc1)C[*:1])c1cc2ccccc2oc1=O
O=C(NC1CC1)c1cc(N2CCCN(C(=O)c3ccsc3)CC2)nc2ccccc12 c1cc(cs1)[*:1] O=C(NC1CC1)c1cc(nc2ccccc12)N1CCCN(CC1)C(=O)[*:1]
O=C(NC1CC1)c1cc(N2CCCN(C(=O)c3ccsc3)CC2)nc2ccccc12 C1CC1[*:1] O=C(N[*:1])c1cc(nc2ccccc12)N1CCCN(CC1)C(=O)c1ccsc1
O=C(NC1CC1)c1cc(N2CCCN(C(=O)c3ccsc3)CC2)nc2ccccc12 O=C(NC1CC1)[*:1] O=C(c1ccsc1)N1CCCN(CC1)c1cc(c2ccccc2n1)[*:1]
Cc1[nH+]c(N2CCN(c3ccccc3)CC2)nc(OCC(=O)[O-])c1C O=C([O-])[*:1] Cc1[nH+]c(nc(OC[*:1])c1C)N1CCN(CC1)c1ccccc1
Cc1[nH+]c(N2CCN(c3ccccc3)CC2)nc(OCC(=O)[O-])c1C O=C([O-])CO[*:1] Cc1[nH+]c(nc(c1C)[*:1])N1CCN(CC1)c1ccccc1
Cc1[nH+]c(N2CCN(c3ccccc3)CC2)nc(OCC(=O)[O-])c1C c1ccc(cc1)[*:1] Cc1[nH+]c(nc(OCC(=O)[O-])c1C)N1CCN(CC1)[*:1]
Cc1[nH+]c(N2CCN(c3ccccc3)CC2)nc(OCC(=O)[O-])c1C O=C([O-])C[*:1] Cc1[nH+]c(nc(O[*:1])c1C)N1CCN(CC1)c1ccccc1
OCCCc1cn(-c2ccccc2)c2ccccc12 OCCC[*:1] c1ccc(cc1)-n1cc(c2ccccc21)[*:1]
OCCCc1cn(-c2ccccc2)c2ccccc12 OCC[*:1] c1ccc(cc1)-n1cc(C[*:1])c2ccccc21
OCCCc1cn(-c2ccccc2)c2ccccc12 c1ccc(cc1)[*:1] OCCCc1cn(c2ccccc12)[*:1]
COc1ccccc1C(=O)NC(=S)Nc1ccccc1F Fc1ccccc1[*:1] COc1ccccc1C(=O)NC(=S)N[*:1]
COc1ccc2cc(CS[C@@H](C)CCO)c(N)nc2c1 C[C@@H](CCO)[*:1] COc1ccc2cc(CS[*:1])c(N)nc2c1
COc1ccc2cc(CS[C@@H](C)CCO)c(N)nc2c1 OCC[*:1] COc1ccc2cc(CS[C@@H](C)[*:1])c(N)nc2c1
CCCCCC(=O)Oc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCCCCC(=O)Oc1cccc(c1)[*:1]
CCCCCC(=O)Oc1cccc([N+](=O)[O-])c1 CCC[*:1] O=C(CC[*:1])Oc1cccc(c1)[N+](=O)[O-]
CCCCCC(=O)Oc1cccc([N+](=O)[O-])c1 CCCCC[*:1] O=C(Oc1cccc(c1)[N+](=O)[O-])[*:1]
CCCCCC(=O)Oc1cccc([N+](=O)[O-])c1 CCCC[*:1] O=C(C[*:1])Oc1cccc(c1)[N+](=O)[O-]
CCc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@H](C)c3nccs3)C4=O)CC2)cc1 CCc1ccc(cc1)C[*:1] C[C@H](c1nccs1)N1C(=O)c2cccc(c2C1=O)N1CC[NH+](CC1)[*:1]
CCc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@H](C)c3nccs3)C4=O)CC2)cc1 CCc1ccc(cc1)[*:1] C[C@H](c1nccs1)N1C(=O)c2cccc(c2C1=O)N1CC[NH+](CC1)C[*:1]
CCc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N([C@H](C)c3nccs3)C4=O)CC2)cc1 c1csc(n1)[*:1] CCc1ccc(cc1)C[NH+]1CCN(CC1)c1cccc2C(=O)N(C(=O)c21)[C@H](C)[*:1]
CCc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 c1cn(cn1)CCC[*:1] CCc1ccc2nc(sc2c1)N(C(=O)c1ccc2OCCOc2c1)[*:1]
CCc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 c1cn(cn1)C[*:1] CCc1ccc2nc(sc2c1)N(CC[*:1])C(=O)c1ccc2OCCOc2c1
CCc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 c1cn(cn1)CC[*:1] CCc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1ccc2OCCOc2c1
CCc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 c1cc2OCCOc2cc1[*:1] CCc1ccc2nc(sc2c1)N(CCCn1ccnc1)C(=O)[*:1]
CCc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 c1cn(cn1)[*:1] CCc1ccc2nc(sc2c1)N(CCC[*:1])C(=O)c1ccc2OCCOc2c1
CC(C)[NH2+]C[C@](C)(O)c1ccccc1 CC(C)[*:1] C[C@](O)(C[NH2+][*:1])c1ccccc1
CC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O CN(C)c1ccc(cc1)[*:1] CC[C@H]1S/C(=N\N=C[*:1])N(Cc2ccccc2)C1=O
CC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CC[C@H]1S/C(=N\N=C\c2ccc(cc2)N(C)C)N(C1=O)[*:1]
CC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CC[C@H]1S/C(=N\N=C\c2ccc(cc2)N(C)C)N(C[*:1])C1=O
CC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O CN(C)[*:1] CC[C@H]1S/C(=N\N=C\c2ccc(cc2)[*:1])N(Cc2ccccc2)C1=O
CC(C)[C@@H](C(=O)N1CCCN(C(N)=O)CC1)N1C[C@H](C)O[C@H](C)C1 CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@H](C(=O)N1CCCN(CC1)C(N)=O)[*:1]
Cc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc2c(c1)nc1CSCCn12)[*:1]
Cc1ccc2nc(NC(=O)Cn3cnc(C(C)C)cc3=O)sc2c1 CC(C)[*:1] Cc1ccc2nc(NC(=O)Cn3cnc(cc3=O)[*:1])sc2c1
O=C(c1ccco1)N1CCO[C@H](Cn2ccnc2)C1 c1coc(c1)[*:1] O=C(N1CCO[C@@H](C1)Cn1ccnc1)[*:1]
O=C(c1ccco1)N1CCO[C@H](Cn2ccnc2)C1 c1cn(cn1)[*:1] O=C(c1ccco1)N1CCO[C@@H](C1)C[*:1]
O=C(c1ccco1)N1CCO[C@H](Cn2ccnc2)C1 c1cn(cn1)C[*:1] O=C(c1ccco1)N1CCO[C@H](C1)[*:1]
C[C@H](NC(=O)N[C@@H]1C[C@@H]1C)C(=O)N1CCCC[C@@H]1C C[C@H]1C[C@H]1[*:1] C[C@H](NC(=O)N[*:1])C(=O)N1CCCC[C@@H]1C
CCCCc1nnc(NC(=O)Cn2ccc3c(OC)cccc32)s1 CCCC[*:1] COc1cccc2c1ccn2CC(=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)Cn2ccc3c(OC)cccc32)s1 CCC[*:1] COc1cccc2c1ccn2CC(=O)Nc1nnc(C[*:1])s1
CNc1ccc(Cl)c(C(=O)N(CC(C)C)C2CCCC2)n1 CC(C)[*:1] CNc1ccc(Cl)c(n1)C(=O)N(C[*:1])C1CCCC1
CNc1ccc(Cl)c(C(=O)N(CC(C)C)C2CCCC2)n1 C1CCC(C1)[*:1] CNc1ccc(Cl)c(n1)C(=O)N(CC(C)C)[*:1]
CNc1ccc(Cl)c(C(=O)N(CC(C)C)C2CCCC2)n1 CC(C)C[*:1] CNc1ccc(Cl)c(n1)C(=O)N(C1CCCC1)[*:1]
CN(C)C(=O)CC(C)(C)CC(=O)[O-] O=C([O-])C[*:1] CN(C)C(=O)CC(C)(C)[*:1]
CN(C)C(=O)CC(C)(C)CC(=O)[O-] O=C([O-])[*:1] CN(C)C(=O)CC(C)(C)C[*:1]
CC[C@H](Nc1[nH]c2ccc(N)cc2[nH+]1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](Nc1[nH]c2ccc(N)cc2[nH+]1)[*:1]
O=C(NCCc1csc(-c2ccccc2)n1)[C@@H]1CC1(Cl)Cl c1ccc(cc1)[*:1] O=C(NCCc1csc(n1)[*:1])[C@@H]1CC1(Cl)Cl
Cc1ccc(-n2c3c(cc(C(=O)NCCO)c2=O)C(=O)CCC3)cc1 O=C(NCCO)[*:1] Cc1ccc(cc1)-n1c2CCCC(=O)c2cc(c1=O)[*:1]
Cc1ccc(-n2c3c(cc(C(=O)NCCO)c2=O)C(=O)CCC3)cc1 OCC[*:1] Cc1ccc(cc1)-n1c2CCCC(=O)c2cc(C(=O)N[*:1])c1=O
Cc1ccc(-n2c3c(cc(C(=O)NCCO)c2=O)C(=O)CCC3)cc1 Cc1ccc(cc1)[*:1] O=C1CCCc2c1cc(C(=O)NCCO)c(=O)n2[*:1]
Cc1cnc([C@@H](C)NC(=O)N[C@H]2CCCC[C@@H]2O)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1O)[*:1]
CCn1c([C@@H]2CCCN(c3ccc(Cl)cn3)C2)nn(C)c1=O Clc1ccc(nc1)[*:1] CCn1c(nn(C)c1=O)[C@@H]1CCCN(C1)[*:1]
COc1ccc2oc(C(=O)NC[C@H](C(C)C)N3CCOCC3)c(C)c2c1 C1CN(CCO1)[*:1] COc1ccc2oc(C(=O)NC[C@H](C(C)C)[*:1])c(C)c2c1
COc1ccc2oc(C(=O)NC[C@H](C(C)C)N3CCOCC3)c(C)c2c1 CC(C)[*:1] COc1ccc2oc(C(=O)NC[C@H](N3CCOCC3)[*:1])c(C)c2c1
CO[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)[*:1]
CO[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)c1ccccc1 Clc1ccc(s1)[*:1] CO[C@@H](C(=O)N[C@@H](C)[*:1])c1ccccc1
Cn1cnnc1SCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 Cn1cnnc1[*:1] O=C(CS[*:1])Nc1ccc(OC(F)F)c(Cl)c1
Cn1cnnc1SCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 Cn1cnnc1S[*:1] O=C(C[*:1])Nc1ccc(OC(F)F)c(Cl)c1
Cn1cnnc1SCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] Cn1cnnc1SCC(=O)Nc1ccc(O[*:1])c(Cl)c1
Cn1cnnc1SCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] Cn1cnnc1SCC(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1ccc2c(c1)CCN2C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)C[*:1] Cc1ccc2c(c1)CCN2C(=O)N[C@H](c1ccccc1)[*:1]
Cc1ccc2c(c1)CCN2C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)[*:1] Cc1ccc2c(c1)CCN2C(=O)N[C@H](C[*:1])c1ccccc1
Cc1ccc2c(c1)CCN2C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc2c(c1)CCN2C(=O)N[C@H](CS(C)(=O)=O)[*:1]
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)o1 CC(C)(C)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)o1 CC(C)(C)NC(=O)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)C(=O)Nc1ccccc1[*:1]
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C)[*:1]
CCn1nc(C)c(Br)c1C[NH2+]CC1(CC(C)C)CCCC1 CC(C)[*:1] CCn1nc(C)c(Br)c1C[NH2+]CC1(CCCC1)C[*:1]
CCn1nc(C)c(Br)c1C[NH2+]CC1(CC(C)C)CCCC1 CC(C)C[*:1] CCn1nc(C)c(Br)c1C[NH2+]CC1(CCCC1)[*:1]
Cc1ccc(CCC(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)cc1 Cc1ccc(cc1)C[*:1] C[C@H]1CN(C[C@@H](C)O1)C[C@@H]1CN(C[C@@H]1CO)C(=O)C[*:1]
Cc1ccc(CCC(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)cc1 Cc1ccc(cc1)CC[*:1] C[C@H]1CN(C[C@@H](C)O1)C[C@@H]1CN(C[C@@H]1CO)C(=O)[*:1]
Cc1ccc(CCC(=O)N2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C[C@@H]1CN(C[C@@H]1CO)C(=O)CC[*:1]
CC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2C)C1=O Cc1ccccc1C[*:1] CC[C@H]1S/C(=N\N=C\c2ccco2)N(C1=O)[*:1]
CC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2C)C1=O Cc1ccccc1[*:1] CC[C@H]1S/C(=N\N=C\c2ccco2)N(C[*:1])C1=O
CC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2C)C1=O c1coc(c1)[*:1] CC[C@H]1S/C(=N\N=C[*:1])N(Cc2ccccc2C)C1=O
O=c1cccc(-c2ccccc2)n1Cc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=c1cccc(n1Cc1ccc(Cl)cc1)[*:1]
O=c1cccc(-c2ccccc2)n1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=c1cccc(-c2ccccc2)n1C[*:1]
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(Cl)c[nH]1 Clc1c[nH]c(c1)[*:1] C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[*:1]
O=C1OC(c2ccccc2)=N/C1=C/c1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=C1OC(=N/C1=C/c1ccc2ccccc2c1)[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)O[C@H]1C=C2C=CCC[C@H]2CC1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])O[C@H]1C=C2C=CCC[C@H]2CC1
CC(=O)Nc1cc(NC(=O)C(=O)NC(C)C)ccc1Cl CC(C)[*:1] CC(=O)Nc1cc(ccc1Cl)NC(=O)C(=O)N[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)NC(C)C)ccc1Cl CC(=O)N[*:1] CC(C)NC(=O)C(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(NC(C)=O)nn1 FC(F)(F)[*:1] COc1ccc(cc1NC(=O)CSc1ccc(nn1)NC(C)=O)[*:1]
COc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(NC(C)=O)nn1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)CSc1ccc(nn1)[*:1])C(F)(F)F
O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)[C@H](Cl)c1ccccc1)c1ccccc1 C1CN(CCO1)[*:1] O=C(N[C@H](C(Cl)(Cl)[C@H](Cl)c1ccccc1)[*:1])c1ccccc1
O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)[C@H](Cl)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)[C@H](Cl)c1ccccc1)[*:1]
O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)[C@H](Cl)c1ccccc1)c1ccccc1 O=C(N[*:1])c1ccccc1 Cl[C@H](c1ccccc1)C(Cl)(Cl)[C@@H](N1CCOCC1)[*:1]
O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)[C@H](Cl)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)[C@H](Cl)[*:1])c1ccccc1
CCN(CC)C(=O)CCCNC(=O)c1cn2cccnc2n1 CCN(CC)C(=O)[*:1] O=C(NCCC[*:1])c1cn2cccnc2n1
CCN[C@]1(C#N)CC[C@@H](Oc2cc(C(C)C)ccc2C)C1 CC(C)[*:1] CCN[C@]1(C#N)CC[C@H](C1)Oc1cc(ccc1C)[*:1]
CCN[C@]1(C#N)CC[C@@H](Oc2cc(C(C)C)ccc2C)C1 CCN[*:1] Cc1ccc(cc1O[C@@H]1CC[C@@](C#N)(C1)[*:1])C(C)C
COC(=O)c1ccoc1CSc1ncn[nH]1 COC(=O)[*:1] c1n[nH]c(n1)SCc1occc1[*:1]
COC(=O)c1ccoc1CSc1ncn[nH]1 c1n[nH]c(n1)[*:1] COC(=O)c1ccoc1CS[*:1]
COc1cccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)c1 COc1cccc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ncc(cn1)-c1ccc(F)cc1
COc1cccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1ncc(cn1)-c1ccc(F)cc1
COc1cccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)[C@H]1CCCN(C1)c1ncc(cn1)[*:1]
COc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc(OC)c1C c1ccc(cc1)[*:1] COc1cc(cc(OC)c1C)C(=O)NNC(=O)c1cc([nH]n1)[*:1]
CC(=O)c1ccc(COC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 CC(=O)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])OCc1ccc(cc1)[*:1]
CC(=O)c1ccc(COC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CC(=O)c1ccc(cc1)COC(=O)Cc1ccc(cc1)[*:1]
CCN(CC)C(=O)c1ccc(C(=O)NC[C@H]2C[C@@]23CCc2ccccc23)cc1 CCN(CC)C(=O)[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)c1ccc(cc1)[*:1]
Cc1ccc2ncccc2c1CNC(=O)CN1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] Cc1ccc2ncccc2c1CNC(=O)CN1CCN(CC1)[*:1]
Cc1ccc(CCC(=O)N[C@H](C)c2nnc3ccccn23)o1 Cc1ccc(C[*:1])o1 C[C@@H](NC(=O)C[*:1])c1nnc2ccccn12
Cc1ccc(CCC(=O)N[C@H](C)c2nnc3ccccn23)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)CC[*:1])c1nnc2ccccn12
O=C(N[C@H]1CCCC[C@H]1Cc1ccco1)c1cccs1 c1coc(c1)[*:1] O=C(N[C@H]1CCCC[C@H]1C[*:1])c1cccs1
O=C(N[C@H]1CCCC[C@H]1Cc1ccco1)c1cccs1 c1csc(c1)[*:1] O=C(N[C@H]1CCCC[C@H]1Cc1ccco1)[*:1]
O=C(N[C@H]1CCCC[C@H]1Cc1ccco1)c1cccs1 c1coc(c1)C[*:1] O=C(N[C@H]1CCCC[C@@H]1[*:1])c1cccs1
CCO/C=C(/C#N)C(=O)N[C@@H]1C[C@H](OCC)C12CCCC2 CCOC=C(C#N)[*:1] CCO[C@H]1C[C@@H](NC(=O)[*:1])C12CCCC2
CCO/C=C(/C#N)C(=O)N[C@@H]1C[C@H](OCC)C12CCCC2 CCO[*:1] CCO/C=C(/C#N)C(=O)N[C@@H]1C[C@H](C12CCCC2)[*:1]
CCO/C=C(/C#N)C(=O)N[C@@H]1C[C@H](OCC)C12CCCC2 CCO[*:1] CCO[C@H]1C[C@@H](NC(=O)C(C#N)=C[*:1])C12CCCC2
C[C@H](CNC(=O)Nc1ccc(OCC(N)=O)cc1)N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] C[C@H](CNC(=O)Nc1ccc(cc1)OCC(N)=O)[*:1]
C[C@H](CNC(=O)Nc1ccc(OCC(N)=O)cc1)N1CCc2ccccc21 NC(=O)[*:1] C[C@H](CNC(=O)Nc1ccc(cc1)OC[*:1])N1CCc2ccccc21
C[C@H](CNC(=O)Nc1ccc(OCC(N)=O)cc1)N1CCc2ccccc21 NC(=O)C[*:1] C[C@H](CNC(=O)Nc1ccc(cc1)O[*:1])N1CCc2ccccc21
C[C@H](CNC(=O)Nc1ccc(OCC(N)=O)cc1)N1CCc2ccccc21 NC(=O)CO[*:1] C[C@H](CNC(=O)Nc1ccc(cc1)[*:1])N1CCc2ccccc21
C=CCC[C@@H](C)OC(=O)c1ccc(-c2nc(C)no2)cc1 C=CCC[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)O[C@H](C)[*:1]
C=CCC[C@@H](C)OC(=O)c1ccc(-c2nc(C)no2)cc1 Cc1noc(n1)[*:1] C=CCC[C@@H](C)OC(=O)c1ccc(cc1)[*:1]
C=CCC[C@@H](C)OC(=O)c1ccc(-c2nc(C)no2)cc1 C=CC[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)O[C@H](C)C[*:1]
C[C@H]1CN(S(=O)(=O)CCNc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)CCNc1ccc(C#N)cc1[*:1]
CCOC(=O)c1sc(NC(=O)CCn2ncc(=O)c3ccccc32)nc1C CCOC(=O)[*:1] Cc1nc(NC(=O)CCn2ncc(=O)c3ccccc32)sc1[*:1]
CC(C)(C)[C@@H](CCO)NS(=O)(=O)CC1CCC1 C1CC(C1)C[*:1] CC(C)(C)[C@@H](CCO)NS(=O)(=O)[*:1]
CC(C)(C)[C@@H](CCO)NS(=O)(=O)CC1CCC1 CC(C)(C)[*:1] O=S(=O)(CC1CCC1)N[C@H](CCO)[*:1]
CC(C)(C)[C@@H](CCO)NS(=O)(=O)CC1CCC1 OCC[*:1] CC(C)(C)[C@@H](NS(=O)(=O)CC1CCC1)[*:1]
CC(C)(C)[C@@H](CCO)NS(=O)(=O)CC1CCC1 C1CC(C1)[*:1] CC(C)(C)[C@@H](CCO)NS(=O)(=O)C[*:1]
[NH3+][C@H]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] [NH3+][C@H]1CCC[C@@H](C1)Oc1ccc(cc1[N+](=O)[O-])[*:1]
[NH3+][C@H]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] [NH3+][C@H]1CCC[C@@H](C1)Oc1ccc(cc1[*:1])[N+](=O)[O-]
COc1cccc(C(=O)NCCNc2ccc(-n3cccn3)nn2)c1 c1cnn(c1)[*:1] COc1cccc(c1)C(=O)NCCNc1ccc(nn1)[*:1]
COc1cccc(C(=O)NCCNc2ccc(-n3cccn3)nn2)c1 COc1cccc(c1)[*:1] O=C(NCCNc1ccc(nn1)-n1cccn1)[*:1]
CC(C)[C@@H]1C[C@@](O)([C@@H]2CCc3ccc[nH+]c32)CCO1 CC(C)[*:1] O[C@@]1(CCO[C@@H](C1)[*:1])[C@@H]1CCc2ccc[nH+]c21
CCSC[C@H](C)N(C)C(=O)NC[C@@H](C)N1CCOCC1 CCSC[*:1] C[C@H](N(C)C(=O)NC[C@@H](C)N1CCOCC1)[*:1]
CCSC[C@H](C)N(C)C(=O)NC[C@@H](C)N1CCOCC1 C1CN(CCO1)[*:1] CCSC[C@H](C)N(C)C(=O)NC[C@@H](C)[*:1]
CCSC[C@H](C)N(C)C(=O)NC[C@@H](C)N1CCOCC1 CCSC[C@H](C)[*:1] C[C@H](CNC(=O)N(C)[*:1])N1CCOCC1
CCSC[C@H](C)N(C)C(=O)NC[C@@H](C)N1CCOCC1 CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)NC[C@@H](C)N1CCOCC1
CCOC(=O)N1CCN(C(=O)N[C@H](C)c2ccccc2Br)CC1 Brc1ccccc1[*:1] CCOC(=O)N1CCN(CC1)C(=O)N[C@H](C)[*:1]
Cc1cc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)ccc1-n1cncn1 O=S(=O)(NC1CC1)[*:1] Cc1cc(ccc1-n1cncn1)CN1CC[C@H](C1)[*:1]
Cc1cc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)ccc1-n1cncn1 c1ncn(n1)[*:1] Cc1cc(ccc1[*:1])CN1CC[C@@H](C1)S(=O)(=O)NC1CC1
Cc1cc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)ccc1-n1cncn1 C1CC1[*:1] Cc1cc(ccc1-n1cncn1)CN1CC[C@@H](C1)S(=O)(=O)N[*:1]
Cc1cccnc1CN1CCN(C(=O)Cn2ccnc2-c2ccccc2)CC1 Cc1cccnc1[*:1] O=C(Cn1ccnc1-c1ccccc1)N1CCN(CC1)C[*:1]
Cc1cccnc1CN1CCN(C(=O)Cn2ccnc2-c2ccccc2)CC1 Cc1cccnc1C[*:1] O=C(Cn1ccnc1-c1ccccc1)N1CCN(CC1)[*:1]
Cc1cccnc1CN1CCN(C(=O)Cn2ccnc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cccnc1CN1CCN(CC1)C(=O)Cn1ccnc1[*:1]
COC1CCC([NH2+]CC(=O)[O-])CC1 O=C([O-])[*:1] COC1CCC(CC1)[NH2+]C[*:1]
COc1ccc(NC(=O)Nc2ccccc2-c2nc(-c3ccoc3)n[nH]2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1-c1nc(n[nH]1)-c1ccoc1)N[*:1]
COc1ccc(NC(=O)Nc2ccccc2-c2nc(-c3ccoc3)n[nH]2)cc1 c1cc(co1)[*:1] COc1ccc(cc1)NC(=O)Nc1ccccc1-c1nc(n[nH]1)[*:1]
Cc1ccn(-c2ccc(C(=O)NC(C)C)cn2)n1 Cc1ccn(n1)[*:1] CC(C)NC(=O)c1ccc(nc1)[*:1]
Cc1ccn(-c2ccc(C(=O)NC(C)C)cn2)n1 CC(C)NC(=O)[*:1] Cc1ccn(n1)-c1ccc(cn1)[*:1]
Cc1ccn(-c2ccc(C(=O)NC(C)C)cn2)n1 CC(C)[*:1] Cc1ccn(n1)-c1ccc(cn1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)[C@@H]2COc3ccccc3O2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC[C@@H]1CCCCN1S(=O)(=O)[*:1])[C@@H]1COc2ccccc2O1
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)[C@@H]2COc3ccccc3O2)cc1 c1ccc2O[C@@H](COc2c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CCNC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC(=O)N1CCN(CC1)S(=O)(=O)[*:1])c1sc2ccccc2c1Cl
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)CC2)cc1 Clc1c(sc2ccccc12)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)[*:1]
CCc1nc2ccccc2n1CCCOc1ccccc1Cl Clc1ccccc1[*:1] CCc1nc2ccccc2n1CCCO[*:1]
CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)-c1ncccn1)N(Cc1ccccc1)C[*:1]
CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1cnn(c1)[*:1]
CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 c1ccc(cc1)C[*:1] CC(C)(C)CN(C(=O)Nc1cnn(c1)-c1ncccn1)[*:1]
CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 c1ccc(cc1)[*:1] CC(C)(C)CN(C[*:1])C(=O)Nc1cnn(c1)-c1ncccn1
CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 CC(C)(C)C[*:1] O=C(Nc1cnn(c1)-c1ncccn1)N(Cc1ccccc1)[*:1]
COC[C@H](C)NC(=O)C(=O)Nc1ccc2nc(C)oc2c1 COC[C@H](C)[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)N[*:1]
COC[C@H](C)NC(=O)C(=O)Nc1ccc2nc(C)oc2c1 COC[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)N[C@@H](C)[*:1]
O=C(Cc1ccc(F)cc1)NC[C@@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)NC[C@@H](CCO)[*:1]
O=C(Cc1ccc(F)cc1)NC[C@@H](CCO)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NC[C@@H](CCO)c1ccccc1
O=C(Cc1ccc(F)cc1)NC[C@@H](CCO)c1ccccc1 OCC[*:1] O=C(Cc1ccc(F)cc1)NC[C@@H](c1ccccc1)[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2CCCn1ccnc1 c1cn(cn1)C[*:1] CCc1nn(C)c2c1[nH]c(=S)n2CC[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2CCCn1ccnc1 c1cn(cn1)[*:1] CCc1nn(C)c2c1[nH]c(=S)n2CCC[*:1]
CCc1ccc(CC)c(NC(=O)c2cnn(CC(C)C)c2C2CC2)c1 CC(C)C[*:1] CCc1ccc(CC)c(c1)NC(=O)c1cnn(c1C1CC1)[*:1]
CCc1ccc(CC)c(NC(=O)c2cnn(CC(C)C)c2C2CC2)c1 CC(C)[*:1] CCc1ccc(CC)c(c1)NC(=O)c1cnn(C[*:1])c1C1CC1
CCc1ccc(CC)c(NC(=O)c2cnn(CC(C)C)c2C2CC2)c1 C1CC1[*:1] CCc1ccc(CC)c(c1)NC(=O)c1cnn(CC(C)C)c1[*:1]
CC(C)CCC(=O)Nc1ccccc1NS(C)(=O)=O CC(C)C[*:1] CS(=O)(=O)Nc1ccccc1NC(=O)C[*:1]
CC(C)CCC(=O)Nc1ccccc1NS(C)(=O)=O CC(C)[*:1] CS(=O)(=O)Nc1ccccc1NC(=O)CC[*:1]
CC(C)CCC(=O)Nc1ccccc1NS(C)(=O)=O CS(=O)(=O)N[*:1] CC(C)CCC(=O)Nc1ccccc1[*:1]
CC(C)CCC(=O)Nc1ccccc1NS(C)(=O)=O CC(C)CC[*:1] CS(=O)(=O)Nc1ccccc1NC(=O)[*:1]
COc1ccccc1C(=O)Oc1ccc(Cl)cc1NC1=NS(=O)(=O)c2ccccc21 COc1ccccc1[*:1] O=C(Oc1ccc(Cl)cc1NC1=NS(=O)(=O)c2ccccc21)[*:1]
Cc1nn(-c2ccc(Cl)cc2)cc1/C([O-])=N/S(=O)(=O)CCCF FCCC[*:1] Cc1nn(cc1/C([O-])=N/S(=O)(=O)[*:1])-c1ccc(Cl)cc1
Cc1nn(-c2ccc(Cl)cc2)cc1/C([O-])=N/S(=O)(=O)CCCF FCC[*:1] Cc1nn(cc1/C([O-])=N/S(=O)(=O)C[*:1])-c1ccc(Cl)cc1
Cc1nn(-c2ccc(Cl)cc2)cc1/C([O-])=N/S(=O)(=O)CCCF Clc1ccc(cc1)[*:1] Cc1nn(cc1/C([O-])=N/S(=O)(=O)CCCF)[*:1]
C[NH+](C)[C@H]1CCCN(C(=O)CCn2cc(Cl)cn2)CC1 Clc1cnn(c1)[*:1] C[NH+](C)[C@H]1CCCN(CC1)C(=O)CC[*:1]
COc1ccc([C@H](NC(=O)CCc2ccc(F)cc2)C2CCOCC2)cc1 Fc1ccc(cc1)CC[*:1] COc1ccc(cc1)[C@H](NC(=O)[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)CCc2ccc(F)cc2)C2CCOCC2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@H](NC(=O)C[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)CCc2ccc(F)cc2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)CCc1ccc(F)cc1)[*:1]
COc1ccc([C@H](NC(=O)CCc2ccc(F)cc2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(CCc1ccc(F)cc1)N[C@H](C1CCOCC1)[*:1]
COc1ccc([C@H](NC(=O)CCc2ccc(F)cc2)C2CCOCC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](NC(=O)CC[*:1])C1CCOCC1
O=C(N[C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCCN1C(=O)c1ccccn1 C1CC1[*:1] O=C(N[C@@H]1CCC[C@H](C1)[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
O=C(N[C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCCN1C(=O)c1ccccn1 c1ccc(nc1)[*:1] O=C(N[C@@H]1CCC[C@@H](C1)C1CC1)[C@@H]1CCCN1C(=O)[*:1]
CCOc1ccccc1NC(=O)c1nnc2c(-c3ccccc3)c(C(C)C)nn2c1C CCOc1ccccc1[*:1] Cc1c(nnc2c(-c3ccccc3)c(nn12)C(C)C)C(=O)N[*:1]
CCOc1ccccc1NC(=O)c1nnc2c(-c3ccccc3)c(C(C)C)nn2c1C CCO[*:1] Cc1c(nnc2c(-c3ccccc3)c(nn12)C(C)C)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)c1nnc2c(-c3ccccc3)c(C(C)C)nn2c1C CC(C)[*:1] CCOc1ccccc1NC(=O)c1nnc2c(-c3ccccc3)c(nn2c1C)[*:1]
CCOc1ccccc1NC(=O)c1nnc2c(-c3ccccc3)c(C(C)C)nn2c1C c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)c1nnc2c(c(nn2c1C)C(C)C)[*:1]
C[NH2+][C@@]1(C(N)=O)CC[C@@H](Oc2ccc(F)c(F)c2)C1 NC(=O)[*:1] C[NH2+][C@]1(CC[C@H](C1)Oc1ccc(F)c(F)c1)[*:1]
O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2OCCC[C@@H]2C1 O=[N+]([O-])[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])N1CC[C@H]2OCCC[C@@H]2C1
CCCc1c(-c2cccc(C)c2)[nH+]n(C)c1N CCC[*:1] Cc1cccc(c1)-c1[nH+]n(C)c(N)c1[*:1]
CCC[NH+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N1CCNC1=O CCC[*:1] O=C(C[NH+](CC(=O)N1CCNC1=O)[*:1])Nc1ccc(Cl)cc1Cl
CCC[NH+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N1CCNC1=O Clc1ccc(c(Cl)c1)[*:1] CCC[NH+](CC(=O)N[*:1])CC(=O)N1CCNC1=O
CCC[NH+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N1CCNC1=O O=C1NCCN1C(=O)[*:1] CCC[NH+](CC(=O)Nc1ccc(Cl)cc1Cl)C[*:1]
Cc1cc(F)ccc1N1C(=O)CC[C@@]1(C)C(=O)NCCCOC(C)C Cc1cc(F)ccc1[*:1] CC(C)OCCCNC(=O)[C@]1(C)CCC(=O)N1[*:1]
Cc1cc(F)ccc1N1C(=O)CC[C@@]1(C)C(=O)NCCCOC(C)C CC(C)OC[*:1] Cc1cc(F)ccc1N1C(=O)CC[C@@]1(C)C(=O)NCC[*:1]
Cc1cc(F)ccc1N1C(=O)CC[C@@]1(C)C(=O)NCCCOC(C)C CC(C)OCCC[*:1] Cc1cc(F)ccc1N1C(=O)CC[C@@]1(C)C(=O)N[*:1]
Cc1cc(F)ccc1N1C(=O)CC[C@@]1(C)C(=O)NCCCOC(C)C CC(C)[*:1] Cc1cc(F)ccc1N1C(=O)CC[C@@]1(C)C(=O)NCCCO[*:1]
Cc1cc(F)ccc1N1C(=O)CC[C@@]1(C)C(=O)NCCCOC(C)C CC(C)O[*:1] Cc1cc(F)ccc1N1C(=O)CC[C@@]1(C)C(=O)NCCC[*:1]
Cc1cc(F)ccc1N1C(=O)CC[C@@]1(C)C(=O)NCCCOC(C)C CC(C)OCC[*:1] Cc1cc(F)ccc1N1C(=O)CC[C@@]1(C)C(=O)NC[*:1]
COCc1cccc(NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)c1 COC[*:1] Cc1cc(C(=O)Nc2cccc(c2)[*:1])c2c(=O)[nH]n(C)c2n1
C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[*:1]
C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCO1 FC(F)(F)[*:1] C[C@@H](NC(=O)C(=O)Nc1cc(cc(c1)[*:1])C(F)(F)F)[C@@H]1CCCO1
CCn1c(C)cc([O-])c([C@@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O c1ccc(cc1)[*:1] CCn1c(C)cc([O-])c(c1=O)[C@@H](c1ccc(cc1)SC)[NH+]1CCN(CC1)[*:1]
CCn1c(C)cc([O-])c([C@@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O CSc1ccc(cc1)[*:1] CCn1c(C)cc([O-])c(c1=O)[C@@H]([NH+]1CCN(CC1)c1ccccc1)[*:1]
CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cn(C)c(=O)cc1C Clc1ccccc1[*:1] CC[C@@H](O[*:1])C(=O)Nc1cn(C)c(=O)cc1C
COc1ccccc1/C=C/C(=O)c1ccco1 c1coc(c1)[*:1] COc1ccccc1/C=C/C(=O)[*:1]
Cn1cc(C(=O)NOCC(N)=O)c(-c2ccccc2Cl)n1 NC(=O)[*:1] Cn1cc(C(=O)NOC[*:1])c(n1)-c1ccccc1Cl
Cn1cc(C(=O)NOCC(N)=O)c(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cn1cc(C(=O)NOCC(N)=O)c(n1)[*:1]
Cn1cc(C(=O)NOCC(N)=O)c(-c2ccccc2Cl)n1 NC(=O)C[*:1] Cn1cc(C(=O)NO[*:1])c(n1)-c1ccccc1Cl
CCc1nn(C)cc1C[NH2+]C1(c2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)[*:1] CCc1nn(C)cc1C[NH2+]C1(CCCC1)[*:1]
O=C1CCCCC[C@@H]1Cc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C1CCCCC[C@@H]1Cc1cnn(c1)[*:1]
CCc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N2 Clc1ccc(cc1Cl)[*:1] CCc1ccc2NC(=O)[C@@](O)(CC(=O)[*:1])c2c1
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C1CC1 c1ccc2oc(cc2c1)[*:1] O=C(N/N=C/c1cn(nc1[*:1])-c1ccccc1)C1CC1
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C1CC1 c1ccc(cc1)[*:1] O=C(N/N=C/c1cn(nc1-c1cc2ccccc2o1)[*:1])C1CC1
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C1CC1 O=C(NN=C[*:1])C1CC1 c1ccc(cc1)-n1cc(c(n1)-c1cc2ccccc2o1)[*:1]
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C1CC1 C1CC1[*:1] O=C(N/N=C/c1cn(nc1-c1cc2ccccc2o1)-c1ccccc1)[*:1]
CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1c(C)nn(C(C)C)c1C CNC(=O)[*:1] Cc1nn(c(C)c1CN1CCCC[C@H]1Cc1c(sc2ccccc12)[*:1])C(C)C
CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1c(C)nn(C(C)C)c1C CC(C)[*:1] CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1c(C)nn(c1C)[*:1]
CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1c(C)nn(C(C)C)c1C Cc1nn(c(C)c1[*:1])C(C)C CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C[*:1]
Cc1n[nH]c(NS(=O)(=O)c2ccc(CC#N)cc2)c1N N#CC[*:1] Cc1n[nH]c(NS(=O)(=O)c2ccc(cc2)[*:1])c1N
CC(=O)N1CCC[C@H]1COCC(=O)[O-] O=C([O-])C[*:1] CC(=O)N1CCC[C@H]1CO[*:1]
CC(=O)N1CCC[C@H]1COCC(=O)[O-] O=C([O-])[*:1] CC(=O)N1CCC[C@H]1COC[*:1]
Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1NC(=O)c1ccncc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)c1ccncc1)NC(=O)C[*:1]
Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1NC(=O)c1ccncc1 O=C(N[*:1])c1ccncc1 Cc1ccc(cc1[*:1])NC(=O)Cc1cccc(Cl)c1
Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1NC(=O)c1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)[*:1])NC(=O)Cc1cccc(Cl)c1
Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1NC(=O)c1ccncc1 Clc1cccc(c1)C[*:1] Cc1ccc(cc1NC(=O)c1ccncc1)NC(=O)[*:1]
CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)c1ccc(s1)-c1ccc(F)cc1)[*:1]
CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCOCC1 Fc1ccc(cc1)[*:1] CN(C(=O)c1ccc(s1)[*:1])C1CCOCC1
Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1 CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)N1CCN(CC1)C(=O)c1ccco1
Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1 CC(C)C[*:1] Cc1nn(c(Cl)c1C(=O)N1CCN(CC1)C(=O)c1ccco1)[*:1]
Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2cc(Nc3ccccn3)[nH]n2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)C(=O)N1CCC[C@@H]1c1cc(Nc2ccccn2)[nH]n1
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2cc(Nc3ccccn3)[nH]n2)CC1 c1ccc(nc1)N[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N1CCC[C@@H]1c1cc([nH]n1)[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2cc(Nc3ccccn3)[nH]n2)CC1 c1ccc(nc1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N1CCC[C@@H]1c1cc(N[*:1])[nH]n1
CC[C@@H]1CCC[C@](C[NH3+])([NH2+]C[C@]2(C)CCCO2)CC1 C[C@@]1(CCCO1)[*:1] CC[C@@H]1CCC[C@@](C[NH3+])(CC1)[NH2+]C[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c1 CC(C)(C)[*:1] O=C(N[*:1])c1cccc(c1)NC(=S)NC(=O)c1sc2ccccc2c1Cl
CC(C)(C)NC(=O)c1cccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c1 CC(C)(C)NC(=O)[*:1] O=C(NC(=S)Nc1cccc(c1)[*:1])c1sc2ccccc2c1Cl
CN(CC[NH+]1CCCC1)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 O=C1NCCN1[*:1] CN(CC[NH+]1CCCC1)C(=O)c1ccc(Cl)c(c1)[*:1]
CCCCCC(C)(C)CNC(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 CCCCC[*:1] CC(C)(CNC(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)[*:1]
CCCCCC(C)(C)CNC(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 CCCC[*:1] CC(C)(CNC(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)C[*:1]
CCCCCC(C)(C)CNC(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 CCC[*:1] CC(C)(CC[*:1])CNC(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2
Cc1cc(NC(=O)COc2ncnc3sccc23)no1 Cc1cc(no1)[*:1] O=C(COc1ncnc2sccc12)N[*:1]
CNC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCO4 CNC(=O)CS[*:1] Cc1cc2cc3OCOc3cc2n2c(nnc12)[*:1]
CNC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCO4 CNC(=O)[*:1] Cc1cc2cc3OCOc3cc2n2c(nnc12)SC[*:1]
CNC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCO4 CNC(=O)C[*:1] Cc1cc2cc3OCOc3cc2n2c(nnc12)S[*:1]
CN1CCN(C(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 Clc1ccc(cc1)[*:1] CN1CCN(CC1)C(=O)CCCN(S(C)(=O)=O)[*:1]
CCc1nn(C)cc1NC(=O)NC[C@](C)(O)CCC(C)C CC(C)C[*:1] CCc1nn(C)cc1NC(=O)NC[C@](C)(O)C[*:1]
CCc1nn(C)cc1NC(=O)NC[C@](C)(O)CCC(C)C CC(C)CC[*:1] CCc1nn(C)cc1NC(=O)NC[C@](C)(O)[*:1]
CCc1nn(C)cc1NC(=O)NC[C@](C)(O)CCC(C)C CC(C)[*:1] CCc1nn(C)cc1NC(=O)NC[C@](C)(O)CC[*:1]
CCNc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1cc(ccc1[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
CCNc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ccc1[N+](=O)[O-] Clc1ccc(s1)[*:1] CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)[*:1]
CCNc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ccc1[N+](=O)[O-] CCN[*:1] O=[N+]([O-])c1ccc(cc1[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
CC(C)NC(=O)NNC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)NC(=O)NNC(=O)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
CC(C)NC(=O)NNC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 CC(C)[*:1] C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)NNC(=O)N[*:1]
CCOc1ccc(NCc2ccccc2Cl)cn1 CCO[*:1] Clc1ccccc1CNc1ccc(nc1)[*:1]
CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 CC(C)[*:1] O=C1N(Cc2cccnc2)C(=O)C2(CC[NH+](CC2)Cc2cc3ccccc3o2)N1CC[*:1]
CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 CC(C)CC[*:1] O=C1N(Cc2cccnc2)C(=O)C2(CC[NH+](CC2)Cc2cc3ccccc3o2)N1[*:1]
CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 c1ccc2oc(cc2c1)C[*:1] CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CC2)[*:1]
CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 c1cncc(c1)[*:1] CC(C)CCN1C(=O)N(C[*:1])C(=O)C12CC[NH+](CC2)Cc1cc2ccccc2o1
CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 CC(C)C[*:1] O=C1N(Cc2cccnc2)C(=O)C2(CC[NH+](CC2)Cc2cc3ccccc3o2)N1C[*:1]
CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 c1cncc(c1)C[*:1] CC(C)CCN1C(=O)N(C(=O)C12CC[NH+](CC2)Cc1cc2ccccc2o1)[*:1]
CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 c1ccc2oc(cc2c1)[*:1] CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CC2)C[*:1]
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 CCOC(=O)[*:1] CCN1C(=O)[C@@H]2[C@H]([NH2+][C@@](C)([C@H]2C1=O)[*:1])c1ccccc1F
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 Fc1ccccc1[*:1] CCOC(=O)[C@]1(C)[NH2+][C@H]([C@H]2C(=O)N(CC)C(=O)[C@@H]21)[*:1]
CC[C@](C)(NC(=O)CCc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] CC[C@](C)(NC(=O)CC[*:1])c1ccccc1
CC[C@](C)(NC(=O)CCc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@](C)(NC(=O)CCc1ccc(F)cc1)[*:1]
Clc1ccc([C@H](CNCc2csc(C3CC3)n2)n2cccn2)cc1 c1sc(nc1[*:1])C1CC1 Clc1ccc(cc1)[C@H](CNC[*:1])n1cccn1
Clc1ccc([C@H](CNCc2csc(C3CC3)n2)n2cccn2)cc1 C1CC1[*:1] Clc1ccc(cc1)[C@H](CNCc1csc(n1)[*:1])n1cccn1
Clc1ccc([C@H](CNCc2csc(C3CC3)n2)n2cccn2)cc1 c1cnn(c1)[*:1] Clc1ccc(cc1)[C@H](CNCc1csc(n1)C1CC1)[*:1]
Clc1ccc([C@H](CNCc2csc(C3CC3)n2)n2cccn2)cc1 Clc1ccc(cc1)[*:1] c1cnn(c1)[C@@H](CNCc1csc(n1)C1CC1)[*:1]
CCCCCN(C)S(N)(=O)=O CCC[*:1] CN(CC[*:1])S(N)(=O)=O
CCN(C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)[C@@H](C)CS(=O)(=O)CC CCS(=O)(=O)C[*:1] CCN(C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)[C@@H](C)[*:1]
CCN(C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)[C@@H](C)CS(=O)(=O)CC CCS(=O)(=O)[*:1] CCN(C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)[C@@H](C)C[*:1]
CCN(C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)[C@@H](C)CS(=O)(=O)CC CCS(=O)(=O)C[C@H](C)[*:1] CCN(C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
CC[NH2+][C@H]1CC(C)(C)Cc2nc([C@@]3(C)CCCO3)sc21 C[C@]1(CCCO1)[*:1] CC[NH2+][C@H]1CC(C)(C)Cc2nc(sc21)[*:1]
Cc1cc(F)ccc1CCNC(=O)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(F)ccc1CCNC(=O)C(=O)N[*:1]
C=CCc1cc(C=O)ccc1OCCc1ccccc1 c1ccc(cc1)[*:1] C=CCc1cc(C=O)ccc1OCC[*:1]
C=CCc1cc(C=O)ccc1OCCc1ccccc1 C=CC[*:1] O=Cc1ccc(OCCc2ccccc2)c(c1)[*:1]
COc1ccccc1C(=O)NNC(=O)CCCc1cc(F)ccc1F COc1ccccc1[*:1] O=C(CCCc1cc(F)ccc1F)NNC(=O)[*:1]
COc1ccccc1C(=O)NNC(=O)CCCc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] COc1ccccc1C(=O)NNC(=O)CCC[*:1]
Cc1cc(C)c2c(OCC(=O)N[C@@H]3C[C@H]3C)nn(C)c2n1 C[C@@H]1C[C@H]1NC(=O)[*:1] Cc1cc(C)c2c(nn(C)c2n1)OC[*:1]
CCOc1ccc(C[NH+]2CCN(S(C)(=O)=O)CC2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C[NH+]1CCN(CC1)S(C)(=O)=O
O=C(NC1CCCC1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NC1CCCC1)c1ccc(cc1)[*:1]
O=C(NC1CCCC1)c1ccc(C(F)(F)F)cc1 C1CCC(C1)[*:1] O=C(N[*:1])c1ccc(cc1)C(F)(F)F
CC[C@@H]1CCCCN1C(=O)Cn1c(SCc2cccc(Cl)c2)nc2ccncc21 Clc1cccc(c1)C[*:1] CC[C@@H]1CCCCN1C(=O)Cn1c(nc2ccncc21)S[*:1]
CC[C@@H]1CCCCN1C(=O)Cn1c(SCc2cccc(Cl)c2)nc2ccncc21 Clc1cccc(c1)CS[*:1] CC[C@@H]1CCCCN1C(=O)Cn1c(nc2ccncc21)[*:1]
CC[C@@H]1CCCCN1C(=O)Cn1c(SCc2cccc(Cl)c2)nc2ccncc21 Clc1cccc(c1)[*:1] CC[C@@H]1CCCCN1C(=O)Cn1c(nc2ccncc21)SC[*:1]
CNC(=O)c1cccc(N[C@H](C)C(=O)Nc2ccccc2)c1 CNC(=O)[*:1] C[C@@H](Nc1cccc(c1)[*:1])C(=O)Nc1ccccc1
CNC(=O)c1cccc(N[C@H](C)C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)N[C@H](C)C(=O)N[*:1]
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)COc2ccc(F)cc2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)[C@@H](NC(=O)COc1ccc(F)cc1)[*:1]
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)COc2ccc(F)cc2)cc1 Fc1ccc(cc1)OC[*:1] Cc1ccc(cc1)[C@@H](CN1CCOCC1)NC(=O)[*:1]
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)COc2ccc(F)cc2)cc1 Fc1ccc(cc1)O[*:1] Cc1ccc(cc1)[C@@H](CN1CCOCC1)NC(=O)C[*:1]
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)COc2ccc(F)cc2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](C[*:1])NC(=O)COc1ccc(F)cc1
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)COc2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(F)cc1)N[C@H](CN1CCOCC1)[*:1]
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)COc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](CN1CCOCC1)NC(=O)CO[*:1]
COc1ccccc1CN1C[C@@H](C(=O)/N=C2\N=N[C@H](C(C)(C)C)S2)CC1=O CC(C)(C)[*:1] COc1ccccc1CN1C[C@H](CC1=O)C(=O)/N=C1\N=N[C@H](S1)[*:1]
COc1ccccc1CN1C[C@@H](C(=O)/N=C2\N=N[C@H](C(C)(C)C)S2)CC1=O COc1ccccc1C[*:1] CC(C)(C)[C@H]1N=N/C(=N\C(=O)[C@H]2CC(=O)N(C2)[*:1])S1
COc1ccccc1CN1C[C@@H](C(=O)/N=C2\N=N[C@H](C(C)(C)C)S2)CC1=O COc1ccccc1[*:1] CC(C)(C)[C@H]1N=N/C(=N\C(=O)[C@H]2CC(=O)N(C2)C[*:1])S1
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccno2)sc1C c1cc(on1)[*:1] CCOc1ccccc1[N-]S(=O)(=O)c1cc(sc1C)[*:1]
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccno2)sc1C CCO[*:1] Cc1sc(cc1S(=O)(=O)[N-]c1ccccc1[*:1])-c1ccno1
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 Cc1cc(ccc1[*:1])[N+](=O)[O-] CC(C)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)C(C)C)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 CC(C)[*:1] Cc1cc(ccc1NC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1])[N+](=O)[O-]
CC(C)(C)NC(=O)N1CCO[C@@H](C(N)=S)C1 NC(=S)[*:1] CC(C)(C)NC(=O)N1CCO[C@@H](C1)[*:1]
CC(C)(C)NC(=O)N1CCO[C@@H](C(N)=S)C1 CC(C)(C)[*:1] NC(=S)[C@H]1CN(CCO1)C(=O)N[*:1]
COC(=O)[C@H](C)C[NH2+][C@@H](C)C(C)C COC(=O)[*:1] CC(C)[C@H](C)[NH2+]C[C@@H](C)[*:1]
COC(=O)[C@H](C)C[NH2+][C@@H](C)C(C)C CC(C)[*:1] COC(=O)[C@H](C)C[NH2+][C@@H](C)[*:1]
CC(=O)c1cc(Cl)ccc1OCc1nc(-c2ccco2)no1 CC(=O)[*:1] Clc1ccc(OCc2nc(no2)-c2ccco2)c(c1)[*:1]
CC(=O)c1cc(Cl)ccc1OCc1nc(-c2ccco2)no1 c1coc(c1)[*:1] CC(=O)c1cc(Cl)ccc1OCc1nc(no1)[*:1]
CC(=O)C1=C(Sc2ccc(C)cc2)CS(=O)(=O)/C1=C/N(C)C CC(=O)[*:1] Cc1ccc(cc1)SC1CS(=O)(=O)/C(=C/N(C)C)C=1[*:1]
CC(=O)C1=C(Sc2ccc(C)cc2)CS(=O)(=O)/C1=C/N(C)C CN(C)[*:1] CC(=O)C1=C(CS(=O)(=O)C1=C[*:1])Sc1ccc(C)cc1
CC(=O)C1=C(Sc2ccc(C)cc2)CS(=O)(=O)/C1=C/N(C)C Cc1ccc(cc1)[*:1] CC(=O)C1=C(CS(=O)(=O)/C1=C/N(C)C)S[*:1]
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCOCC3)cc2)cc1 CC(=O)[*:1] O=C(Cc1ccc(cc1)[N-]S(=O)(=O)c1ccc(cc1)[*:1])N1CCOCC1
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCOCC3)cc2)cc1 O=C(N1CCOCC1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)[N-]c1ccc(cc1)C[*:1]
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCOCC3)cc2)cc1 O=C(C[*:1])N1CCOCC1 CC(=O)c1ccc(cc1)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCOCC3)cc2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[N-]S(=O)(=O)[*:1])N1CCOCC1
Cc1c(C(=O)N(C)[C@H](C)c2cccnc2)nnn1-c1cccc2ncccc12 c1cncc(c1)[*:1] Cc1c(nnn1-c1cccc2ncccc12)C(=O)N(C)[C@H](C)[*:1]
C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 Clc1cc(Cl)cc(c1)[*:1] C[NH+](C)CC(=O)Nc1ccc(cc1)NC(=O)[*:1]
C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](C)c1ccccc1 Fc1cccc(c1)[*:1] C[C@@H](CC(=O)N[*:1])[NH2+][C@@H](C)c1ccccc1
C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](C)[*:1]
COCCN(C)C(=O)c1cccnc1OCC(F)F COC[*:1] CN(C[*:1])C(=O)c1cccnc1OCC(F)F
COCCN(C)C(=O)c1cccnc1OCC(F)F COCC[*:1] CN(C(=O)c1cccnc1OCC(F)F)[*:1]
COCCN(C)C(=O)c1cccnc1OCC(F)F FC(F)[*:1] COCCN(C)C(=O)c1cccnc1OC[*:1]
COCCN(C)C(=O)c1cccnc1OCC(F)F FC(F)C[*:1] COCCN(C)C(=O)c1cccnc1O[*:1]
COCCN(C)C(=O)c1cccnc1OCC(F)F FC(F)CO[*:1] COCCN(C)C(=O)c1cccnc1[*:1]
Cc1c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c(C)n1Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c(C)n1C[*:1]
Cc1c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c(C)n1Cc1ccccc1Cl Clc1ccccc1C[*:1] Cc1c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c(C)n1[*:1]
CSc1nc(C)c(CCC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c(C)n1 C1CCN(CC1)[*:1] CSc1nc(C)c(CCC(=O)NCc2ccc([nH+]c2)[*:1])c(C)n1
CSC[C@@H](C)N(C)c1cc(-c2nc(C(C)C)no2)cc[nH+]1 CSC[*:1] CC(C)c1noc(n1)-c1cc[nH+]c(c1)N(C)[C@H](C)[*:1]
CSC[C@@H](C)N(C)c1cc(-c2nc(C(C)C)no2)cc[nH+]1 CC(C)[*:1] CSC[C@@H](C)N(C)c1cc(cc[nH+]1)-c1nc(no1)[*:1]
CC(C)(Oc1ccc(F)cc1)C(=O)NNc1cc(C#N)cc(Cl)n1 Fc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)NNc1cc(C#N)cc(Cl)n1
CC(C)(Oc1ccc(F)cc1)C(=O)NNc1cc(C#N)cc(Cl)n1 Fc1ccc(cc1)O[*:1] CC(C)(C(=O)NNc1cc(C#N)cc(Cl)n1)[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)c1ccncc1 c1ccc(cc1)[*:1] O=C(N[C@@H](C1CC1)[*:1])c1ccncc1
O=C(N[C@@H](c1ccccc1)C1CC1)c1ccncc1 c1cc(ccn1)[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)c1ccncc1 C1CC1[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1ccncc1
CCN[C@@]1(C#N)CC[C@H](N2CC[C@H]([NH+](C)C)C2)C1 CCN[*:1] C[NH+](C)[C@H]1CCN(C1)[C@H]1CC[C@](C#N)(C1)[*:1]
O=C(CCSc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 c1ccc(nc1)[*:1] O=C(CCSc1ccccc1)N(C[*:1])c1nc2c(F)cc(F)cc2s1
O=C(CCSc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 c1ccc(cc1)SCC[*:1] O=C(N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1)[*:1]
O=C(CCSc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 c1ccc(cc1)[*:1] O=C(CCS[*:1])N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1
O=C(CCSc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 c1ccc(C[*:1])nc1 O=C(CCSc1ccccc1)N(c1nc2c(F)cc(F)cc2s1)[*:1]
O=C(CCSc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 c1ccc(cc1)S[*:1] O=C(CC[*:1])N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1
O=C(CCSc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 c1ccc(cc1)SC[*:1] O=C(C[*:1])N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1
C[C@H](NC(=O)N(CC(=O)[O-])C(C)(C)C)c1ccccc1 O=C([O-])C[*:1] C[C@H](NC(=O)N(C(C)(C)C)[*:1])c1ccccc1
C[C@H](NC(=O)N(CC(=O)[O-])C(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N(CC(=O)[O-])C(C)(C)C)[*:1]
C[C@H](NC(=O)N(CC(=O)[O-])C(C)(C)C)c1ccccc1 O=C([O-])[*:1] C[C@H](NC(=O)N(C[*:1])C(C)(C)C)c1ccccc1
C[C@H](NC(=O)N(CC(=O)[O-])C(C)(C)C)c1ccccc1 CC(C)(C)[*:1] C[C@H](NC(=O)N(CC(=O)[O-])[*:1])c1ccccc1
Cc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2-c1cccc(F)c1 c1cc2OCOc2cc1[*:1] Cc1nc2c(c(=O)n1C[*:1])c1nc3ccccc3nc1n2-c1cccc(F)c1
Cc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2-c1cccc(F)c1 c1cc2OCOc2cc1C[*:1] Cc1nc2c(c(=O)n1[*:1])c1nc3ccccc3nc1n2-c1cccc(F)c1
Cc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2-c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nc2c(c(=O)n1Cc1ccc3OCOc3c1)c1nc3ccccc3nc1n2[*:1]
COC(=O)C[C@@H]1CN(Cc2cc(O)ccc2Br)CCO1 COC(=O)[*:1] Oc1ccc(Br)c(c1)CN1CCO[C@@H](C1)C[*:1]
COC(=O)C[C@@H]1CN(Cc2cc(O)ccc2Br)CCO1 COC(=O)C[*:1] Oc1ccc(Br)c(c1)CN1CCO[C@@H](C1)[*:1]
CCC[NH2+][C@@H](c1ccsc1)[C@]1(N(C)C)CCC[C@H](C)C1 c1cc(cs1)[*:1] CCC[NH2+][C@@H]([C@@]1(CCC[C@H](C)C1)N(C)C)[*:1]
CCC[NH2+][C@@H](c1ccsc1)[C@]1(N(C)C)CCC[C@H](C)C1 CCC[*:1] C[C@H]1CCC[C@](C1)([C@@H]([NH2+][*:1])c1ccsc1)N(C)C
CCC[NH2+][C@@H](c1ccsc1)[C@]1(N(C)C)CCC[C@H](C)C1 CN(C)[*:1] CCC[NH2+][C@@H](c1ccsc1)[C@@]1(CCC[C@H](C)C1)[*:1]
Cc1nnc(CSc2ncnc3ccccc23)o1 Cc1nnc(o1)[*:1] c1ccc2c(ncnc2c1)SC[*:1]
O=C(NCc1ccccc1COCC1CC1)c1[nH]nc2c1CS(=O)(=O)C2 C1CC1COC[*:1] O=C(NCc1ccccc1[*:1])c1[nH]nc2CS(=O)(=O)Cc21
O=C(NCc1ccccc1COCC1CC1)c1[nH]nc2c1CS(=O)(=O)C2 C1CC1CO[*:1] O=C(NCc1ccccc1C[*:1])c1[nH]nc2CS(=O)(=O)Cc21
O=C(NCc1ccccc1COCC1CC1)c1[nH]nc2c1CS(=O)(=O)C2 C1CC1C[*:1] O=C(NCc1ccccc1CO[*:1])c1[nH]nc2CS(=O)(=O)Cc21
O=C(NCc1ccccc1COCC1CC1)c1[nH]nc2c1CS(=O)(=O)C2 C1CC1[*:1] O=C(NCc1ccccc1COC[*:1])c1[nH]nc2CS(=O)(=O)Cc21
CN(Cc1nccs1)C(=O)c1ccc(N2CCCC2=O)cc1 c1csc(C[*:1])n1 CN(C(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
CN(Cc1nccs1)C(=O)c1ccc(N2CCCC2=O)cc1 c1csc(n1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)N1CCCC1=O
CN(Cc1nccs1)C(=O)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CN(Cc1nccs1)C(=O)c1ccc(cc1)[*:1]
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(C)C)[NH2+][C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC COc1ccc(cc1OC)C[*:1] CC(C)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(C)C)[NH2+][C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2[*:1])C(=O)Nc2ccc(F)cc21
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(C)C)[NH2+][C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC COc1ccc(cc1OC)[*:1] CC(C)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CC[*:1])C(=O)[C@H]12
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(C)C)[NH2+][C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC COc1ccc(cc1OC)CC[*:1] CC(C)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](CC(C)C)[NH2+][C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC CC(C)[*:1] COc1ccc(cc1OC)CCN1C(=O)[C@@H]2[C@@H](C[*:1])[NH2+][C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O
Cc1cc(C(=O)NNc2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1cc(C(=O)NNc2ccc(Cl)c(Cl)c2)c(C)n1[*:1]
Cc1cc(C(=O)NNc2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccco1 Clc1ccc(cc1Cl)[*:1] Cc1cc(C(=O)NN[*:1])c(C)n1Cc1ccco1
Cc1cc(C(=O)NNc2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccco1 c1coc(c1)[*:1] Cc1cc(C(=O)NNc2ccc(Cl)c(Cl)c2)c(C)n1C[*:1]
Cc1cccc(C)c1NC(=O)NCc1cc2n(n1)CC[NH+](C1CCCCC1)C2 C1CCC(CC1)[*:1] Cc1cccc(C)c1NC(=O)NCc1cc2C[NH+](CCn2n1)[*:1]
Cc1cccc(C)c1NC(=O)NCc1cc2n(n1)CC[NH+](C1CCCCC1)C2 Cc1cccc(C)c1[*:1] O=C(NCc1cc2C[NH+](CCn2n1)C1CCCCC1)N[*:1]
CCn1cc(NC(=O)C(=O)N[C@H](CO)c2ccc(Cl)cc2)ccc1=O Clc1ccc(cc1)[*:1] CCn1cc(ccc1=O)NC(=O)C(=O)N[C@H](CO)[*:1]
CCOCc1ccccc1NC(=O)[C@H](C)CC1CCCC1 CCO[*:1] C[C@H](CC1CCCC1)C(=O)Nc1ccccc1C[*:1]
CCOCc1ccccc1NC(=O)[C@H](C)CC1CCCC1 C1CCC(C1)C[*:1] CCOCc1ccccc1NC(=O)[C@H](C)[*:1]
CCOCc1ccccc1NC(=O)[C@H](C)CC1CCCC1 C1CCC(C1)[*:1] CCOCc1ccccc1NC(=O)[C@H](C)C[*:1]
CCOCc1ccccc1NC(=O)[C@H](C)CC1CCCC1 CCOC[*:1] C[C@H](CC1CCCC1)C(=O)Nc1ccccc1[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F C[C@@H](C#N)C[*:1] O=C(Nc1cccc(Cl)c1SCC(F)F)C(=O)N[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F FC(F)CS[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(Cl)c1[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F FC(F)C[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(Cl)c1S[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F FC(F)[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(Cl)c1SC[*:1]
CC(=O)Nc1cc(NC(=O)CNC(=O)c2ccsc2)c(F)cc1F O=C(N[*:1])c1ccsc1 CC(=O)Nc1cc(NC(=O)C[*:1])c(F)cc1F
CC(=O)Nc1cc(NC(=O)CNC(=O)c2ccsc2)c(F)cc1F CC(=O)N[*:1] O=C(CNC(=O)c1ccsc1)Nc1cc(c(F)cc1F)[*:1]
CC(=O)Nc1cc(NC(=O)CNC(=O)c2ccsc2)c(F)cc1F c1cc(cs1)[*:1] CC(=O)Nc1cc(NC(=O)CNC(=O)[*:1])c(F)cc1F
CNC(=O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 Clc1ccc(cc1)[*:1] CNC(=O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C(=N[*:1])S1
CNC(=O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 Clc1ccc(cc1)C[*:1] CNC(=O)[C@H]1CC(=O)N(/C(=N/c2ccc(Cl)cc2)S1)[*:1]
CNC(=O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 Clc1ccc(cc1)[*:1] CNC(=O)[C@H]1CC(=O)N(C[*:1])/C(=N/c2ccc(Cl)cc2)S1
CNC(=O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 CNC(=O)[*:1] O=C1C[C@@H](S/C(=N\c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1)[*:1]
O=[N+]([O-])c1ccc(NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 O=[N+]([O-])[*:1] FC(F)(F)c1cc(cc(c1)C(F)(F)F)NC(=S)Nc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] O=[N+]([O-])c1ccc(cc1)NC(=S)Nc1cc(cc(c1)[*:1])C(F)(F)F
O=[N+]([O-])c1ccc(NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] FC(F)(F)c1cc(cc(c1)C(F)(F)F)NC(=S)N[*:1]
COc1cc(/C=C2\S/C(=N/c3nnc(C)s3)N(c3ccccc3)C2=O)cc(OC)c1OC Cc1nnc(s1)[*:1] COc1cc(/C=C2\SC(=N[*:1])N(C2=O)c2ccccc2)cc(OC)c1OC
COc1cc(/C=C2\S/C(=N/c3nnc(C)s3)N(c3ccccc3)C2=O)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(/C=C2\S/C(=N/c3nnc(C)s3)N(C2=O)[*:1])cc(OC)c1OC
O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1cccnc1 c1cncc(c1)[*:1] O=C(Nn1cnc2sc3CCCCc3c2c1=O)[*:1]
Cc1cnn(CCCNC(=O)NC[C@@H]2CCC[C@H]2O)c1 Cc1cnn(c1)[*:1] O=C(NCCC[*:1])NC[C@@H]1CCC[C@H]1O
COc1ccc(-c2nnc(NC(=O)Cc3ccc(C(C)C)cc3)o2)cc1 COc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)CC(=O)Nc1nnc(o1)[*:1]
COc1ccc(-c2nnc(NC(=O)Cc3ccc(C(C)C)cc3)o2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nnc(NC(=O)Cc2ccc(cc2)[*:1])o1
Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1[nH]ncc1C(=O)NC[*:1]
Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)c1cn[nH]c1[*:1]
CC1CCN(c2ccc3nnc(CCC(=O)NCC[NH+]4CCCC4)n3n2)CC1 CC1CCN(CC1)[*:1] O=C(CCc1nnc2ccc(nn12)[*:1])NCC[NH+]1CCCC1
CN1C[C@@H](NC(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)CCC1=O CN1C[C@@H](CCC1=O)[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)N[*:1]
O=C(NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(OC1CCCCC1)c1ccc(cc1)NC(=S)NC(=O)[*:1]
O=C(NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccccc1 O=C(OC1CCCCC1)[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1ccccc1
O=C(NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccccc1 C1CCC(CC1)[*:1] O=C(NC(=S)Nc1ccc(cc1)C(=O)O[*:1])c1ccccc1
CCn1cnc(S(=O)(=O)NC2(C(N)=S)CCCC2)c1 NC(=S)[*:1] CCn1cnc(c1)S(=O)(=O)NC1(CCCC1)[*:1]
Cc1cccc2[nH+]c(CNC(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)cn12 Fc1ccc(cc1)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N1CCC(CC1)[C@H](O)[*:1]
Cc1cccc2[nH+]c(CNC(=O)N3CCC([C@H](O)c4ccc(F)cc4)CC3)cn12 O[C@H](c1ccc(F)cc1)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N1CCC(CC1)[*:1]
CN(C)c1cc(C(=O)[O-])c(F)cc1F CN(C)[*:1] O=C([O-])c1cc(c(F)cc1F)[*:1]
CN(C)c1cc(C(=O)[O-])c(F)cc1F O=C([O-])[*:1] CN(C)c1cc(c(F)cc1F)[*:1]
COc1cccc([C@]2(C(C)(C)C)CCC[NH2+]2)c1 CC(C)(C)[*:1] COc1cccc(c1)[C@@]1(CCC[NH2+]1)[*:1]
COCC(COC)OC(=O)c1cc(F)cc(Br)c1 COC[*:1] COCC(OC(=O)c1cc(F)cc(Br)c1)[*:1]
COC[C@](C)(NC(=O)CC1(O)CCCC1)c1ccccc1 COC[*:1] C[C@](NC(=O)CC1(O)CCCC1)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)CC1(O)CCCC1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)CC1(O)CCCC1)[*:1]
COC[C@](C)(NC(=O)CC1(O)CCCC1)c1ccccc1 OC1(CCCC1)C[*:1] COC[C@](C)(NC(=O)[*:1])c1ccccc1
COC[C@](C)(NC(=O)CC1(O)CCCC1)c1ccccc1 OC1(CCCC1)[*:1] COC[C@](C)(NC(=O)C[*:1])c1ccccc1
C/C=C/C=C/C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F CC=C[*:1] C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C=C[*:1]
C/C=C/C=C/C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F Fc1ccccc1[*:1] C/C=C/C=C/C(=O)NNC(=O)[C@@H](C)O[*:1]
C/C=C/C=C/C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F C/C=C/C=C[*:1] C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[*:1]
Cc1cccn2cc(Cn3ccc(-c4cccc(-c5cncnc5)c4)n3)nc12 c1ncc(cn1)[*:1] Cc1cccn2cc(Cn3ccc(n3)-c3cccc(c3)[*:1])nc12
CC(=O)c1ccc(N2CCN(Cc3coc(-c4ccccc4)n3)CC2)c(F)c1 c1ccc(cc1)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)Cc1coc(n1)[*:1]
CC(=O)c1ccc(N2CCN(Cc3coc(-c4ccccc4)n3)CC2)c(F)c1 CC(=O)[*:1] Fc1cc(ccc1N1CCN(CC1)Cc1coc(n1)-c1ccccc1)[*:1]
O=C1NCC(=O)N(CCC2CC2)c2ccccc21 C1CC1[*:1] O=C1NCC(=O)N(CC[*:1])c2ccccc21
O=C1NCC(=O)N(CCC2CC2)c2ccccc21 C1CC1CC[*:1] O=C1NCC(=O)N(c2ccccc21)[*:1]
O=C1NCC(=O)N(CCC2CC2)c2ccccc21 C1CC1C[*:1] O=C1NCC(=O)N(C[*:1])c2ccccc21
O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCOCC1 FC(F)[*:1] O=C(/C=C/c1ccc(cc1O[*:1])OC(F)F)N1CCOCC1
O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCOCC1 O=C(N1CCOCC1)[*:1] FC(F)Oc1ccc(C=C[*:1])c(c1)OC(F)F
O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCOCC1 FC(F)[*:1] O=C(/C=C/c1ccc(cc1OC(F)F)O[*:1])N1CCOCC1
O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCOCC1 FC(F)O[*:1] O=C(/C=C/c1ccc(cc1OC(F)F)[*:1])N1CCOCC1
O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCOCC1 FC(F)O[*:1] O=C(/C=C/c1ccc(cc1[*:1])OC(F)F)N1CCOCC1
C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccnc1)c1cccs1 c1csc(c1)[*:1] C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccnc1)[*:1]
C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccnc1)c1cccs1 c1cncc(c1)[*:1] C[C@@H](CNC(=O)CN(C)S(=O)(=O)[*:1])c1cccs1
C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccnc1)c1cccs1 C[C@@H](c1cccs1)[*:1] CN(CC(=O)NC[*:1])S(=O)(=O)c1cccnc1
CCOC(=O)[C@]1(N)CCc2ccccc21 CCOC(=O)[*:1] N[C@@]1(CCc2ccccc21)[*:1]
C=CCOCCCC(=O)N1CCN(c2ccccc2C#N)CC1 C=CCO[*:1] N#Cc1ccccc1N1CCN(CC1)C(=O)CCC[*:1]
C=CCOCCCC(=O)N1CCN(c2ccccc2C#N)CC1 C=CC[*:1] N#Cc1ccccc1N1CCN(CC1)C(=O)CCCO[*:1]
C=CCOCCCC(=O)N1CCN(c2ccccc2C#N)CC1 C=CCOCCC[*:1] N#Cc1ccccc1N1CCN(CC1)C(=O)[*:1]
C=CCOCCCC(=O)N1CCN(c2ccccc2C#N)CC1 C=CCOCC[*:1] N#Cc1ccccc1N1CCN(CC1)C(=O)C[*:1]
C=CCOCCCC(=O)N1CCN(c2ccccc2C#N)CC1 C=CCOC[*:1] N#Cc1ccccc1N1CCN(CC1)C(=O)CC[*:1]
O=C(NCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1F c1ccc(cc1)C[*:1] O=C(Nc1cc(ccc1F)C(F)(F)F)C(=O)N[*:1]
O=C(NCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] O=C(NCc1ccccc1)C(=O)Nc1cc(ccc1F)[*:1]
O=C(NCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1F c1ccc(cc1)[*:1] O=C(NC[*:1])C(=O)Nc1cc(ccc1F)C(F)(F)F
CSCC[C@H](C)NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 CSCC[C@H](C)[*:1] O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)N[*:1]
CSCC[C@H](C)NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 CSCC[*:1] C[C@H](NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)[*:1]
CSCC[C@H](C)NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 CSC[*:1] C[C@@H](C[*:1])NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1
CC[C@H](NC(=O)Cc1cccc(C)c1)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@H](NC(=O)Cc1cccc(C)c1)[*:1]
C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nc2ccccc2c1=O C=CC[*:1] N#Cc1ccc(cc1)C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nc2ccccc2c1=O N#Cc1ccc(cc1)[*:1] C=CCn1c(nc2ccccc2c1=O)SCC(=O)[*:1]
CCOC(=O)[C@H]1C(C)=CC(=O)C[C@H]1c1ccccc1 CCOC(=O)[*:1] CC1=CC(=O)C[C@@H](c2ccccc2)[C@H]1[*:1]
CCOC(=O)[C@H]1C(C)=CC(=O)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(C)=CC(=O)C[C@@H]1[*:1]
Cc1cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)on1 c1ccc(cc1)[*:1] Cc1cc(on1)C(=O)Nc1cc(Cl)c(cc1OC[*:1])[N+](=O)[O-]
Cc1cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)on1 O=[N+]([O-])[*:1] Cc1cc(on1)C(=O)Nc1cc(Cl)c(cc1OCc1ccccc1)[*:1]
Cc1cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)on1 c1ccc(cc1)C[*:1] Cc1cc(on1)C(=O)Nc1cc(Cl)c(cc1O[*:1])[N+](=O)[O-]
Cc1cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)on1 Cc1cc(on1)[*:1] O=C(Nc1cc(Cl)c(cc1OCc1ccccc1)[N+](=O)[O-])[*:1]
Cc1cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)on1 Cc1cc(on1)C(=O)N[*:1] O=[N+]([O-])c1cc(OCc2ccccc2)c(cc1Cl)[*:1]
Cc1cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)on1 c1ccc(cc1)CO[*:1] Cc1cc(on1)C(=O)Nc1cc(Cl)c(cc1[*:1])[N+](=O)[O-]
COc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc(SC)o2)cc1 CSc1ccc(o1)[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)[*:1]
O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] O=C(c1cc2CCCCc2[nH]c1=O)N1CCC[C@@H]1[*:1]
CCC1(CNC(=O)c2sccc2SC(F)F)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])c1sccc1SC(F)F
CCC1(CNC(=O)c2sccc2SC(F)F)CCC1 FC(F)S[*:1] CCC1(CCC1)CNC(=O)c1sccc1[*:1]
CCC1(CNC(=O)c2sccc2SC(F)F)CCC1 FC(F)[*:1] CCC1(CCC1)CNC(=O)c1sccc1S[*:1]
Cc1nc2c(s1)[C@H](NCc1ccnc(OC3CCC3)c1)CCC2 C1CC(C1)O[*:1] Cc1nc2CCC[C@@H](NCc3ccnc(c3)[*:1])c2s1
Cc1nc2c(s1)[C@H](NCc1ccnc(OC3CCC3)c1)CCC2 C1CC(C1)[*:1] Cc1nc2CCC[C@@H](NCc3ccnc(c3)O[*:1])c2s1
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc[nH]n2)CC1 Clc1ccc(cc1)[*:1] COC(=O)[C@H](N1CCN(CC1)C(=O)c1cc[nH]n1)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc[nH]n2)CC1 c1cc(n[nH]1)[*:1] COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc[nH]n2)CC1 COC(=O)[*:1] O=C(c1cc[nH]n1)N1CCN(CC1)[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1cc(C)c(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)c(Cl)n1 Clc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]2[*:1])c(Cl)n1
NC(=O)c1ccc(COc2cccc[n+]2[O-])c([N+](=O)[O-])c1 [O-][n+]1ccccc1[*:1] NC(=O)c1ccc(CO[*:1])c(c1)[N+](=O)[O-]
NC(=O)c1ccc(COc2cccc[n+]2[O-])c([N+](=O)[O-])c1 NC(=O)[*:1] O=[N+]([O-])c1cc(ccc1COc1cccc[n+]1[O-])[*:1]
NC(=O)c1ccc(COc2cccc[n+]2[O-])c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(COc2cccc[n+]2[O-])c(c1)[*:1]
O=C(N[C@H]1CCc2c(O)cccc21)c1cnccn1 c1cnc(cn1)[*:1] O=C(N[C@H]1CCc2c(O)cccc21)[*:1]
COc1cc(C)cc(C(=O)NCCCc2c(C)noc2C)c1O Cc1noc(C)c1[*:1] COc1cc(C)cc(C(=O)NCCC[*:1])c1O
Cc1oc2ccccc2c1CNC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1oc2ccccc2c1CNC(=O)N[*:1]
CNC(=O)CN1CCC([NH2+][C@@H](c2cccnc2)C(C)C)CC1 c1cncc(c1)[*:1] CNC(=O)CN1CCC(CC1)[NH2+][C@@H](C(C)C)[*:1]
CNC(=O)CN1CCC([NH2+][C@@H](c2cccnc2)C(C)C)CC1 CNC(=O)[*:1] CC(C)[C@@H]([NH2+]C1CCN(CC1)C[*:1])c1cccnc1
CNC(=O)CN1CCC([NH2+][C@@H](c2cccnc2)C(C)C)CC1 CNC(=O)C[*:1] CC(C)[C@@H]([NH2+]C1CCN(CC1)[*:1])c1cccnc1
CNC(=O)CN1CCC([NH2+][C@@H](c2cccnc2)C(C)C)CC1 CC(C)[*:1] CNC(=O)CN1CCC(CC1)[NH2+][C@@H](c1cccnc1)[*:1]
COCCOc1ncccc1NCc1cccs1 COCCO[*:1] c1csc(c1)CNc1cccnc1[*:1]
COCCOc1ncccc1NCc1cccs1 c1csc(c1)C[*:1] COCCOc1ncccc1N[*:1]
COCCOc1ncccc1NCc1cccs1 COCC[*:1] c1csc(c1)CNc1cccnc1O[*:1]
COCCOc1ncccc1NCc1cccs1 COC[*:1] c1csc(c1)CNc1cccnc1OC[*:1]
COCCOc1ncccc1NCc1cccs1 c1csc(c1)[*:1] COCCOc1ncccc1NC[*:1]
CCN(C(=O)c1n[nH]c(C(C)C)n1)C1CCCC1 CC(C)[*:1] CCN(C(=O)c1n[nH]c(n1)[*:1])C1CCCC1
CCN(C(=O)c1n[nH]c(C(C)C)n1)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)c1n[nH]c(n1)C(C)C)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH+](C)C C[C@@H]1OCC[C@@H]1[*:1] C[NH+](C)C[C@H]1CCCCN1C(=O)[*:1]
O=C(Nc1ccc(N2CCCC2=O)cc1)N1CCc2ccc(O)cc2CC1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCc2ccc(O)cc2CC1
COc1ccccc1CN1CCCc2c1nc(C1CCN(C(=O)c3cc[nH]n3)CC1)[nH+]c2C COc1ccccc1C[*:1] Cc1[nH+]c(nc2c1CCCN2[*:1])C1CCN(CC1)C(=O)c1cc[nH]n1
COc1ccccc1CN1CCCc2c1nc(C1CCN(C(=O)c3cc[nH]n3)CC1)[nH+]c2C c1cc(n[nH]1)[*:1] COc1ccccc1CN1CCCc2c1nc([nH+]c2C)C1CCN(CC1)C(=O)[*:1]
COc1ccccc1CN1CCCc2c1nc(C1CCN(C(=O)c3cc[nH]n3)CC1)[nH+]c2C COc1ccccc1[*:1] Cc1[nH+]c(nc2c1CCCN2C[*:1])C1CCN(CC1)C(=O)c1cc[nH]n1
CN1CCN(S(=O)(=O)c2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)CC(c1ccccc1)[*:1]
CN1CCN(S(=O)(=O)c2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)CC1 CN1CCN(CC1)S(=O)(=O)[*:1] O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(cc1)[*:1]
CCc1ccccc1NC(=O)NCCn1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)NCCn1nc(ccc1=O)[*:1]
CCc1ccccc1NC(=O)NCCn1nc(-c2ccccc2)ccc1=O CCc1ccccc1[*:1] O=C(NCCn1nc(ccc1=O)-c1ccccc1)N[*:1]
Cc1c(C[NH2+]CC(C)C)cnn1[C@H](C)C1CC1 CC(C)C[*:1] Cc1c(cnn1[C@H](C)C1CC1)C[NH2+][*:1]
Cc1c(C[NH2+]CC(C)C)cnn1[C@H](C)C1CC1 CC(C)[*:1] Cc1c(cnn1[C@H](C)C1CC1)C[NH2+]C[*:1]
Cc1c(C[NH2+]CC(C)C)cnn1[C@H](C)C1CC1 C[C@H](C1CC1)[*:1] Cc1c(cnn1[*:1])C[NH2+]CC(C)C
Cc1c(C[NH2+]CC(C)C)cnn1[C@H](C)C1CC1 C1CC1[*:1] Cc1c(cnn1[C@H](C)[*:1])C[NH2+]CC(C)C
Cc1cc(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)[nH]n1 Cc1cc([nH]n1)[*:1] Cn1c(nc2cc(ccc21)NC(=O)[*:1])C(C)(C)C
Cc1cc(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)[nH]n1 CC(C)(C)[*:1] Cc1cc([nH]n1)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3ccc(OCc4ccccc4)cc3)[n+]2[O-])c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)-c1nccc(/C=C/c2ccc(cc2)OC[*:1])[n+]1[O-]
O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3ccc(OCc4ccccc4)cc3)[n+]2[O-])c1 O=[N+]([O-])[*:1] [O-][n+]1c(/C=C/c2ccc(cc2)OCc2ccccc2)ccnc1-c1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3ccc(OCc4ccccc4)cc3)[n+]2[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] [O-][n+]1c(/C=C/c2ccc(cc2)OCc2ccccc2)ccnc1[*:1]
O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3ccc(OCc4ccccc4)cc3)[n+]2[O-])c1 c1ccc(cc1)C[*:1] O=[N+]([O-])c1cccc(c1)-c1nccc(/C=C/c2ccc(cc2)O[*:1])[n+]1[O-]
O=[N+]([O-])c1cccc(-c2nccc(/C=C/c3ccc(OCc4ccccc4)cc3)[n+]2[O-])c1 c1ccc(cc1)CO[*:1] O=[N+]([O-])c1cccc(c1)-c1nccc(/C=C/c2ccc(cc2)[*:1])[n+]1[O-]
Cc1cc(OCc2ccccc2)nc(N2CCN(c3ccccc3)CC2)[nH+]1 c1ccc(cc1)[*:1] Cc1cc(nc([nH+]1)N1CCN(CC1)[*:1])OCc1ccccc1
Cc1cc(OCc2ccccc2)nc(N2CCN(c3ccccc3)CC2)[nH+]1 c1ccc(cc1)[*:1] Cc1cc(nc([nH+]1)N1CCN(CC1)c1ccccc1)OC[*:1]
Cc1cc(OCc2ccccc2)nc(N2CCN(c3ccccc3)CC2)[nH+]1 c1ccc(cc1)CO[*:1] Cc1cc(nc([nH+]1)N1CCN(CC1)c1ccccc1)[*:1]
Cc1cc(OCc2ccccc2)nc(N2CCN(c3ccccc3)CC2)[nH+]1 c1ccc(cc1)C[*:1] Cc1cc(nc([nH+]1)N1CCN(CC1)c1ccccc1)O[*:1]
Cc1ccccc1S(=O)(=O)/N=C([O-])/C=C/c1nc2ccccc2s1 Cc1ccccc1[*:1] O=S(=O)(/N=C([O-])/C=C/c1nc2ccccc2s1)[*:1]
O=C(NC[C@H](O)c1ccccc1F)Nc1ccc(F)c(F)c1 Fc1ccccc1[*:1] O=C(NC[C@H](O)[*:1])Nc1ccc(F)c(F)c1
C[C@H](NC(=O)c1c(F)cc(Br)cc1F)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1c(F)cc(Br)cc1F)[*:1]
CCCCn1cc(-c2cc(C(=O)N(C)C)c3ccc(F)cc3n2)cn1 CCC[*:1] CN(C)C(=O)c1cc(nc2cc(F)ccc12)-c1cnn(c1)C[*:1]
CCCCn1cc(-c2cc(C(=O)N(C)C)c3ccc(F)cc3n2)cn1 CCCC[*:1] CN(C)C(=O)c1cc(nc2cc(F)ccc12)-c1cnn(c1)[*:1]
CCCCn1cc(-c2cc(C(=O)N(C)C)c3ccc(F)cc3n2)cn1 CN(C)C(=O)[*:1] CCCCn1cc(cn1)-c1cc(c2ccc(F)cc2n1)[*:1]
CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)c1 CC(=O)c1cccc(c1)[*:1] Cc1cc2nc(SCC(=O)N[*:1])n(c(=O)c2[nH]1)C(C)C
CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)c1 CC(=O)[*:1] Cc1cc2nc(SCC(=O)Nc3cccc(c3)[*:1])n(c(=O)c2[nH]1)C(C)C
CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)c1 CC(C)[*:1] CC(=O)c1cccc(c1)NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[*:1]
O=C(c1ccc(-c2nccnc2N2CCCC2)cc1)N1CCC(Cc2ccccc2)CC1 C1CCN(C1)[*:1] O=C(c1ccc(cc1)-c1nccnc1[*:1])N1CCC(CC1)Cc1ccccc1
O=C(c1ccc(-c2nccnc2N2CCCC2)cc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)-c1nccnc1N1CCCC1)N1CCC(CC1)C[*:1]
O=C(c1ccc(-c2nccnc2N2CCCC2)cc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(cc1)-c1nccnc1N1CCCC1)N1CCC(CC1)[*:1]
COc1cc([C@@H]2CC(=O)c3c(C)nn(-c4nc(C)cc(C)n4)c3C2)cc(OC)c1OC Cc1cc(C)nc(n1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC(=O)c2c(C)nn(c2C1)[*:1]
CC(=O)N[C@H](CC(=O)N(C)Cc1cccs1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N(C)Cc1cccs1)[*:1]
CC(=O)N[C@H](CC(=O)N(C)Cc1cccs1)c1ccc(Cl)cc1 c1csc(c1)C[*:1] CC(=O)N[C@H](CC(=O)N(C)[*:1])c1ccc(Cl)cc1
CC(=O)N[C@H](CC(=O)N(C)Cc1cccs1)c1ccc(Cl)cc1 c1csc(c1)[*:1] CC(=O)N[C@H](CC(=O)N(C)C[*:1])c1ccc(Cl)cc1
CC(=O)N[C@H](CC(=O)N(C)Cc1cccs1)c1ccc(Cl)cc1 CC(=O)N[*:1] CN(Cc1cccs1)C(=O)C[C@H](c1ccc(Cl)cc1)[*:1]
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OC[*:1]
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1c(F)cccc1Cl Clc1ccc(cc1)[*:1] O=C(CNS(=O)(=O)[*:1])OCc1c(F)cccc1Cl
Cc1nsc(N(C)C(=O)C2CCCCCCC2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(c1[*:1])N(C)C(=O)C1CCCCCCC1
COc1ccc(Cn2cnc3c(nnc4c(-c5ccccc5)cnn43)c2=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)Cn1cnc2c(nnc3c(cnn32)[*:1])c1=O
COc1ccc(Cn2cnc3c(nnc4c(-c5ccccc5)cnn43)c2=O)cc1OC COc1ccc(cc1OC)[*:1] O=c1c2nnc3c(cnn3c2ncn1C[*:1])-c1ccccc1
CC1(C)CC(=O)c2cnc(NC(=O)C[NH+]3CCN(c4ccccc4F)CC3)nc2C1 Fc1ccccc1[*:1] CC1(C)CC(=O)c2cnc(nc2C1)NC(=O)C[NH+]1CCN(CC1)[*:1]
OC[C@H]([NH2+]C/C=C/c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] OC[C@H]([NH2+]CC=C[*:1])c1ccc(Cl)cc1
Cc1csc([C@@H](NC(=O)N2CC[C@@H](C)C[C@@H]2C)C2CC2)n1 Cc1csc(n1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)N[C@@H](C1CC1)[*:1]
Cc1csc([C@@H](NC(=O)N2CC[C@@H](C)C[C@@H]2C)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)N1CC[C@@H](C)C[C@@H]1C)[*:1]
Cc1cn(-c2ccccc2)nc1NC(=O)c1cccc(SCC#N)c1 N#CC[*:1] Cc1cn(nc1NC(=O)c1cccc(c1)S[*:1])-c1ccccc1
Cc1cn(-c2ccccc2)nc1NC(=O)c1cccc(SCC#N)c1 c1ccc(cc1)[*:1] Cc1cn(nc1NC(=O)c1cccc(c1)SCC#N)[*:1]
Cc1cn(-c2ccccc2)nc1NC(=O)c1cccc(SCC#N)c1 N#CCS[*:1] Cc1cn(nc1NC(=O)c1cccc(c1)[*:1])-c1ccccc1
Fc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] Fc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C[*:1])c(F)c1
Fc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)c(F)c1 Fc1ccc(c(F)c1)[*:1] c1ccc(cc1)Cn1ncc2c1CCC[C@@H]2[NH2+]C[*:1]
Fc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)c(F)c1 c1ccc(cc1)C[*:1] Fc1ccc(C[NH2+][C@H]2CCCc3c2cnn3[*:1])c(F)c1
CCCN1C(=O)CCc2cc(NC(=O)N[C@H](CC)c3cccs3)ccc21 c1csc(c1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N[C@H](CC)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N[C@H](CC)c3cccs3)ccc21 CCC[*:1] CC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1])c1cccs1
COc1ccc([C@H](NC(=O)N2C[C@H]3CC=CC[C@H]3C2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](C1CCOCC1)[*:1])N1C[C@H]2CC=CC[C@H]2C1
COc1ccc([C@H](NC(=O)N2C[C@H]3CC=CC[C@H]3C2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)N1C[C@H]2CC=CC[C@H]2C1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)c2ccccc2)cc1 Cc1cc(no1)NC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)c2ccccc2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CN(c1ccccc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1cc(C)on1)[*:1]
[NH3+][C@H](Cc1ccc(F)cc1)[C@H](O)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H](Cc1ccc(F)cc1)[C@H](O)[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)NCc1cccnc1Oc1ccccc1F Fc1ccccc1O[*:1] C[C@@H](NS(C)(=O)=O)C(=O)NCc1cccnc1[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)NCc1cccnc1Oc1ccccc1F CS(=O)(=O)N[*:1] C[C@@H](C(=O)NCc1cccnc1Oc1ccccc1F)[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)NCc1cccnc1Oc1ccccc1F Fc1ccccc1[*:1] C[C@@H](NS(C)(=O)=O)C(=O)NCc1cccnc1O[*:1]
CCC1(CNC(=O)NCC/N=C(\O)c2ncccc2O)CC1 CCC1(CC1)C[*:1] O=C(NCC/N=C(\O)c1ncccc1O)N[*:1]
CCC1(CNC(=O)NCC/N=C(\O)c2ncccc2O)CC1 CCC1(CC1)[*:1] O=C(NCC/N=C(\O)c1ncccc1O)NC[*:1]
CCC1(CNC(=O)NCC/N=C(\O)c2ncccc2O)CC1 Oc1cccnc1[*:1] CCC1(CC1)CNC(=O)NCC/N=C(\O)[*:1]
COc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)c1ccc(C)c(F)c1 NC(=O)[*:1] COc1ccc(cc1NC(=O)N[C@@H](C)c1ccc(C)c(F)c1)[*:1]
COc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] COc1ccc(cc1NC(=O)N[C@@H](C)[*:1])C(N)=O
Cc1csc(S(=O)(=O)[C@H](C)C(=O)Nc2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1csc(n1)S(=O)(=O)[C@H](C)C(=O)N[*:1]
Cc1csc(S(=O)(=O)[C@H](C)C(=O)Nc2ccccc2Cl)n1 Cc1csc(n1)[*:1] C[C@H](C(=O)Nc1ccccc1Cl)S(=O)(=O)[*:1]
Nc1c(C(=O)NCc2ccc(Cl)cc2)nnn1CC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nc1c(nnn1CC(=O)N[*:1])C(=O)NCc1ccc(Cl)cc1
Nc1c(C(=O)NCc2ccc(Cl)cc2)nnn1CC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Nc1c(nnn1CC(=O)Nc1ccc(Cl)cc1)C(=O)N[*:1]
Nc1c(C(=O)NCc2ccc(Cl)cc2)nnn1CC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nc1c(nnn1CC(=O)Nc1ccc(Cl)cc1)C(=O)NC[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)c1ccc(S(N)(=O)=O)o1 NS(=O)(=O)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)c1ccc(o1)[*:1]
C[C@H](O)CC(C)(C)C[NH2+][C@H](C)c1cnccn1 C[C@H](O)[*:1] C[C@@H]([NH2+]CC(C)(C)C[*:1])c1cnccn1
C[C@H](O)CC(C)(C)C[NH2+][C@H](C)c1cnccn1 C[C@H](O)C[*:1] C[C@@H]([NH2+]CC(C)(C)[*:1])c1cnccn1
Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)c1cn(C)c2ccccc12 Cn1cc(c2ccccc21)[*:1] Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)[*:1]
Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)c1cn(C)c2ccccc12 Fc1ccc(cc1)[*:1] Cn1c(CC(=O)N[*:1])nnc1SCC(=O)c1cn(C)c2ccccc12
Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)c1cn(C)c2ccccc12 O=C(Nc1ccc(F)cc1)[*:1] Cn1c(C[*:1])nnc1SCC(=O)c1cn(C)c2ccccc12
Cc1nnc(SCC(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)o1 Cc1nnc(o1)[*:1] O=C(CS[*:1])N1CC[C@@]2(CCCN(CCO)C2=O)C1
Cc1nnc(SCC(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)o1 Cc1nnc(o1)SC[*:1] O=C1N(CCO)CCC[C@@]12CCN(C2)C(=O)[*:1]
Cc1nnc(SCC(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)o1 OCC[*:1] Cc1nnc(o1)SCC(=O)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
Cc1nnc(SCC(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)o1 Cc1nnc(o1)S[*:1] O=C(C[*:1])N1CC[C@@]2(CCCN(CCO)C2=O)C1
CCC[C@H]([NH2+]C)c1ccn(Cc2ccc(CC)s2)c1 CCC[*:1] CCc1ccc(Cn2ccc(c2)[C@@H]([NH2+]C)[*:1])s1
C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCc1ccccc1F Fc1ccccc1[*:1] C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC[*:1]
C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCc1ccccc1F Fc1ccccc1C[*:1] C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N[*:1]
CN[C@H](C(=O)Nc1cc(C)on1)c1ccccc1 c1ccc(cc1)[*:1] CN[C@H](C(=O)Nc1cc(C)on1)[*:1]
CN[C@H](C(=O)Nc1cc(C)on1)c1ccccc1 Cc1cc(no1)[*:1] CN[C@H](C(=O)N[*:1])c1ccccc1
Nc1ccc(C(F)(F)F)cc1C(=O)NCC1CCCC1 FC(F)(F)[*:1] Nc1ccc(cc1C(=O)NCC1CCCC1)[*:1]
Nc1ccc(C(F)(F)F)cc1C(=O)NCC1CCCC1 C1CCC(C1)C[*:1] Nc1ccc(cc1C(=O)N[*:1])C(F)(F)F
Nc1ccc(C(F)(F)F)cc1C(=O)NCC1CCCC1 C1CCC(C1)[*:1] Nc1ccc(cc1C(=O)NC[*:1])C(F)(F)F
CCCCSc1nnc2n(CC)c(=O)c3ccccc3n12 CCCCS[*:1] CCn1c(=O)c2ccccc2n2c(nnc12)[*:1]
CCCCSc1nnc2n(CC)c(=O)c3ccccc3n12 CCCC[*:1] CCn1c(=O)c2ccccc2n2c(nnc12)S[*:1]
CCCCSc1nnc2n(CC)c(=O)c3ccccc3n12 CCC[*:1] CCn1c(=O)c2ccccc2n2c(nnc12)SC[*:1]
COCCNc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 COCC[*:1] CN1C(=O)Cc2cc(ccc21)-c1csc(n1)N[*:1]
COCCNc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 COC[*:1] CN1C(=O)Cc2cc(ccc21)-c1csc(n1)NC[*:1]
COCCNc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 COCCN[*:1] CN1C(=O)Cc2cc(ccc21)-c1csc(n1)[*:1]
CCC(O)(CC)CNC(=O)NCC1(c2ccccc2F)CC1 CCC(O)(CC)C[*:1] O=C(NCC1(CC1)c1ccccc1F)N[*:1]
CCC(O)(CC)CNC(=O)NCC1(c2ccccc2F)CC1 CCC(O)(CC)[*:1] O=C(NCC1(CC1)c1ccccc1F)NC[*:1]
CCC(O)(CC)CNC(=O)NCC1(c2ccccc2F)CC1 Fc1ccccc1[*:1] CCC(O)(CC)CNC(=O)NCC1(CC1)[*:1]
CCCCc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 CCCC[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
CCCCc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 CCC[*:1] O=C(c1ccc(cc1)C[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(Sc3ccc(C)cc3)o2)S1 Cc1ccc(cc1)S[*:1] CC(=O)NC1=NN(C(C)=O)[C@H](S1)c1ccc(o1)[*:1]
CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(Sc3ccc(C)cc3)o2)S1 Cc1ccc(cc1)[*:1] CC(=O)NC1=NN(C(C)=O)[C@H](S1)c1ccc(o1)S[*:1]
CCC[NH2+]C[C@@H]1CCO[C@@H]1[C@@H]1CCCOC1 CCC[*:1] C1COC[C@@H](C1)[C@H]1OCC[C@H]1C[NH2+][*:1]
COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCc1ccco1)CC2 c1coc(c1)C[*:1] COc1ccc2CC[C@H]([NH2+][C@H](C)C[*:1])c2c1
COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCc1ccco1)CC2 c1coc(c1)CC[*:1] COc1ccc2CC[C@H]([NH2+][C@H](C)[*:1])c2c1
COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCc1ccco1)CC2 c1coc(c1)[*:1] COc1ccc2CC[C@H]([NH2+][C@H](C)CC[*:1])c2c1
COc1cc(C(=O)NN[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OC Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)NN[C@H]1CC(=O)N(C1=O)[*:1]
CC(=O)Nc1ccc(CC(=O)N2C[C@@H](C)Oc3ccc(C)cc32)cc1 CC(=O)N[*:1] Cc1ccc2O[C@H](C)CN(C(=O)Cc3ccc(cc3)[*:1])c2c1
Cc1cc(NC(=O)CCCOc2ccccc2)ccc1S(N)(=O)=O c1ccc(cc1)OC[*:1] Cc1cc(ccc1S(N)(=O)=O)NC(=O)CC[*:1]
Cc1cc(NC(=O)CCCOc2ccccc2)ccc1S(N)(=O)=O c1ccc(cc1)[*:1] Cc1cc(ccc1S(N)(=O)=O)NC(=O)CCCO[*:1]
Cc1cc(NC(=O)CCCOc2ccccc2)ccc1S(N)(=O)=O c1ccc(cc1)O[*:1] Cc1cc(ccc1S(N)(=O)=O)NC(=O)CCC[*:1]
Cc1cc(NC(=O)CCCOc2ccccc2)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)CCCOc1ccccc1
CC1(C)SC[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)N1C=O c1ccc(cc1)[*:1] CC1(C)SC[C@@H](C(=O)Nc2sc(cc2C#N)[*:1])N1C=O
CCNC(=O)c1ccccc1NC(=O)c1cnc(Oc2ccccc2)cn1 CCNC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1cnc(cn1)Oc1ccccc1
CCNC(=O)c1ccccc1NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] CCNC(=O)c1ccccc1NC(=O)c1cnc(cn1)[*:1]
CCNC(=O)c1ccccc1NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CCNC(=O)c1ccccc1NC(=O)c1cnc(cn1)O[*:1]
C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)N3CCO[C@@H](C(N)=O)C3)c2C1 c1ccc(cc1)[*:1] C[C@H]1CC(=C[*:1])c2nc3ccccc3c(C(=O)N3CCO[C@H](C3)C(N)=O)c2C1
C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)N3CCO[C@@H](C(N)=O)C3)c2C1 NC(=O)[*:1] C[C@H]1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)N3CCO[C@@H](C3)[*:1])c2C1
C=CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl Cc1ccc(cc1C)[*:1] C=CCNC(=O)c1cc(ccc1Cl)S(=O)(=O)N[*:1]
C=CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl C=CCNC(=O)[*:1] Cc1ccc(cc1C)NS(=O)(=O)c1ccc(Cl)c(c1)[*:1]
C=CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl C=CC[*:1] Cc1ccc(cc1C)NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)cc(OC)c1O NC(=O)[*:1] COc1cc(cc(OC)c1O)[C@@H]1C2C(=O)CCCC=2Nc2c(cnn21)[*:1]
COc1ccccc1C(=O)NCCc1sc2nc(-c3ccc(F)cc3)nn2c1C COc1ccccc1[*:1] Cc1c(CCNC(=O)[*:1])sc2nc(nn12)-c1ccc(F)cc1
COc1ccccc1C(=O)NCCc1sc2nc(-c3ccc(F)cc3)nn2c1C Fc1ccc(cc1)[*:1] COc1ccccc1C(=O)NCCc1sc2nc(nn2c1C)[*:1]
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)no1 Cc1cc(no1)NC(=O)[*:1] C[C@@H](SCC(=O)N1CCC(CC1)c1nc2ccccc2s1)[*:1]
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)no1 Cc1cc(no1)[*:1] C[C@@H](SCC(=O)N1CCC(CC1)c1nc2ccccc2s1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)no1 c1ccc2sc(nc2c1)[*:1] Cc1cc(no1)NC(=O)[C@@H](C)SCC(=O)N1CCC(CC1)[*:1]
CC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 CC[C@@H](C)NC(=O)[*:1] O=C(OC[*:1])c1c2CCCCc2nc2ccccc12
CC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 CC[C@@H](C)NC(=O)C[*:1] O=C(O[*:1])c1c2CCCCc2nc2ccccc12
CC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 CC[C@@H](C)[*:1] O=C(COC(=O)c1c2CCCCc2nc2ccccc12)N[*:1]
C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(c1ccccc1)[*:1]
N#CC1=C(O)O[C@@](O)(c2ccccc2)[C@@H]([n+]2cccc3ccccc32)[C@@H]1c1ccc(Cl)c(Cl)c1 c1ccc2c(c1)ccc[n+]2[*:1] N#CC1=C(O)O[C@@](O)(c2ccccc2)[C@@H]([C@@H]1c1ccc(Cl)c(Cl)c1)[*:1]
N#CC1=C(O)O[C@@](O)(c2ccccc2)[C@@H]([n+]2cccc3ccccc32)[C@@H]1c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] N#CC1=C(O)O[C@@](O)(c2ccccc2)[C@H]([C@H]1[*:1])[n+]1cccc2ccccc21
N#CC1=C(O)O[C@@](O)(c2ccccc2)[C@@H]([n+]2cccc3ccccc32)[C@@H]1c1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] N#CC1=C(O)O[C@@](O)([C@H]([C@@H]1c1ccc(Cl)c(Cl)c1)[n+]1cccc2ccccc21)[*:1]
C[C@H]1CC(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 FC(F)(F)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NC[C@H](O)c1cccc(c1)[*:1]
CCOCc1nc([C@@H]2CCOC2)n(-c2ccccc2Cl)n1 CCOC[*:1] Clc1ccccc1-n1nc(nc1[C@@H]1CCOC1)[*:1]
CCOCc1nc([C@@H]2CCOC2)n(-c2ccccc2Cl)n1 CCO[*:1] Clc1ccccc1-n1nc(C[*:1])nc1[C@@H]1CCOC1
CCOCc1nc([C@@H]2CCOC2)n(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] CCOCc1nc([C@@H]2CCOC2)n(n1)[*:1]
Cc1c(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 c1ccc(cc1)[*:1] Cc1c(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)c(=O)oc2cc3occ(c3cc12)[*:1]
Cc1ccc(OCCNc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(OCCN[*:1])c(C)c1
CCCN1NC=C(C(=O)NCCc2[nH]nc3c2CCCC3)[C@H]1C CCC[*:1] C[C@@H]1C(=CNN1[*:1])C(=O)NCCc1[nH]nc2CCCCc21
COC(=O)[C@]1(F)CCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 COC(=O)[*:1] O=C(CCc1ccc(o1)-c1ccccc1)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 c1ccc(cc1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)CCc1ccc(o1)[*:1]
CCOc1cc(CN2CCO[C@H](C)[C@@H]2C)ccc1OCC(F)(F)F CCO[*:1] C[C@H]1[C@@H](C)OCCN1Cc1ccc(OCC(F)(F)F)c(c1)[*:1]
CCOc1cc(CN2CCO[C@H](C)[C@@H]2C)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] CCOc1cc(ccc1[*:1])CN1CCO[C@H](C)[C@@H]1C
CCOc1cc(CN2CCO[C@H](C)[C@@H]2C)ccc1OCC(F)(F)F FC(F)(F)C[*:1] CCOc1cc(ccc1O[*:1])CN1CCO[C@H](C)[C@@H]1C
CCOc1cc(CN2CCO[C@H](C)[C@@H]2C)ccc1OCC(F)(F)F FC(F)(F)[*:1] CCOc1cc(ccc1OC[*:1])CN1CCO[C@H](C)[C@@H]1C
Cc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(C)(=O)=O)cc1C Cc1ccc(cc1C)[*:1] CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)[*:1]
Cc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(C)(=O)=O)cc1C Fc1cccc(F)c1[*:1] Cc1ccc(cc1C)N(CC(=O)N[*:1])S(C)(=O)=O
O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NCCc1cccs1 c1csc(c1)[*:1] O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)NCC[*:1]
O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NCCc1cccs1 c1csc(c1)C[*:1] O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)NC[*:1]
O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)N[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 c1cc2OCOc2cc1C[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@H](NC(=O)Cc1csc(Cc2ccccn2)n1)c1ccc(F)cc1 c1ccc(C[*:1])nc1 C[C@H](NC(=O)Cc1csc(n1)[*:1])c1ccc(F)cc1
C[C@H](NC(=O)Cc1csc(Cc2ccccn2)n1)c1ccc(F)cc1 c1ccc(nc1)[*:1] C[C@H](NC(=O)Cc1csc(C[*:1])n1)c1ccc(F)cc1
C[C@H](NC(=O)Cc1csc(Cc2ccccn2)n1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)Cc1csc(Cc2ccccn2)n1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C c1ccc2[nH]c(nc2c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](C(C)C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C CC(C)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](c1nc2ccccc2[nH]1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)[*:1]
C[NH+](C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1Cl)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1Cl)C[*:1]
C[NH+](C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1Cl)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1Cl)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](c1ccco1)[NH+](C)C c1coc(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]([NH+](C)C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](c1ccco1)[NH+](C)C c1ccc(cc1)[*:1] Cc1nn(c(C)c1C[NH2+]C[C@@H](c1ccco1)[NH+](C)C)[*:1]
C[NH2+][C@H]1c2ccccc2OC[C@H]1SC[C@H](O)CO OC[C@@H](O)C[*:1] C[NH2+][C@H]1c2ccccc2OC[C@H]1S[*:1]
C[NH2+][C@H]1c2ccccc2OC[C@H]1SC[C@H](O)CO OC[C@@H](O)CS[*:1] C[NH2+][C@H]1c2ccccc2OC[C@@H]1[*:1]
C[NH2+][C@H]1c2ccccc2OC[C@H]1SC[C@H](O)CO OC[C@@H](O)[*:1] C[NH2+][C@H]1c2ccccc2OC[C@H]1SC[*:1]
CC[C@H](C)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 CC[C@H](C)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1C c1cc2OCOc2cc1[*:1] COc1ccc(cc1C)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1C COc1ccc(cc1C)[*:1] O=C(Nc1ccc2OCOc2c1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Nc1cccc(Cl)c1)N1CCO[C@H](CN(C(=O)c2ccco2)C2CCCC2)C1 Clc1cccc(c1)[*:1] O=C(N[*:1])N1CCO[C@@H](C1)CN(C(=O)c1ccco1)C1CCCC1
O=C(Nc1cccc(Cl)c1)N1CCO[C@H](CN(C(=O)c2ccco2)C2CCCC2)C1 C1CCC(C1)[*:1] O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](C1)CN(C(=O)c1ccco1)[*:1]
O=C(Nc1cccc(Cl)c1)N1CCO[C@H](CN(C(=O)c2ccco2)C2CCCC2)C1 c1coc(c1)[*:1] O=C(Nc1cccc(Cl)c1)N1CCO[C@@H](C1)CN(C(=O)[*:1])C1CCCC1
COC(=O)c1c(NC(=O)CSc2c([O-])on[n+]2-c2ccccc2)sc2c1CCCC2 COC(=O)[*:1] O=C(CSc1c([O-])on[n+]1-c1ccccc1)Nc1sc2CCCCc2c1[*:1]
COC(=O)c1c(NC(=O)CSc2c([O-])on[n+]2-c2ccccc2)sc2c1CCCC2 c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)CSc2c([O-])on[n+]2[*:1])sc2CCCCc21
C[C@@H](CNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@H](C)c1ccc(cc1)NC(N)=O)O[*:1]
C[C@@H](CNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)Oc1ccccc1 NC(=O)N[*:1] C[C@@H](CNC(=O)N[C@H](C)c1ccc(cc1)[*:1])Oc1ccccc1
C[C@@H](CNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)N[C@H](C)c1ccc(cc1)NC(N)=O)[*:1]
O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@@H]2[C@@]23C=C[C@@]12CCCCC3 c1ccc(cc1)[*:1] O=c1n(c(=O)n2[C@@H]3C=C[C@H](n12)[C@]12C=C[C@]31CCCCC2)[*:1]
C[C@@H](CNC(=O)N[C@H](c1nccs1)C1CC1)Oc1ccc(F)cc1 c1csc(n1)[*:1] C[C@@H](CNC(=O)N[C@H](C1CC1)[*:1])Oc1ccc(F)cc1
C[C@@H](CNC(=O)N[C@H](c1nccs1)C1CC1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@H](c1nccs1)C1CC1)O[*:1]
C[C@@H](CNC(=O)N[C@H](c1nccs1)C1CC1)Oc1ccc(F)cc1 C1CC1[*:1] C[C@@H](CNC(=O)N[C@H](c1nccs1)[*:1])Oc1ccc(F)cc1
C[C@@H](CNC(=O)N[C@H](c1nccs1)C1CC1)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C[C@@H](CNC(=O)N[C@H](c1nccs1)C1CC1)[*:1]
Cc1ccc(Sc2ncccc2C(=O)N2CCC(C(=O)NC(C)C)CC2)c(C)c1 Cc1ccc(S[*:1])c(C)c1 CC(C)NC(=O)C1CCN(CC1)C(=O)c1cccnc1[*:1]
Cc1ccc(Sc2ncccc2C(=O)N2CCC(C(=O)NC(C)C)CC2)c(C)c1 CC(C)NC(=O)[*:1] Cc1ccc(Sc2ncccc2C(=O)N2CCC(CC2)[*:1])c(C)c1
Cc1ccc(Sc2ncccc2C(=O)N2CCC(C(=O)NC(C)C)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)NC(=O)C1CCN(CC1)C(=O)c1cccnc1S[*:1]
Cc1ccc(Sc2ncccc2C(=O)N2CCC(C(=O)NC(C)C)CC2)c(C)c1 CC(C)[*:1] Cc1ccc(Sc2ncccc2C(=O)N2CCC(CC2)C(=O)N[*:1])c(C)c1
CN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 c1ccc(cc1)CC[*:1] CN(C(=O)C(=O)Nc1ccc(cc1)Oc1ccncc1)[*:1]
CN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 c1cc(ccn1)O[*:1] CN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)C(=O)Nc1ccc(cc1)Oc1ccncc1
CN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 c1cc(ccn1)[*:1] CN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(cc1)O[*:1]
CN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 c1ccc(cc1)C[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc(cc1)Oc1ccncc1
Cc1cc(F)c(C(C)(C)CC[NH2+]C2CC2)cc1F C1CC1[*:1] Cc1cc(F)c(cc1F)C(C)(C)CC[NH2+][*:1]
CC(=O)c1c(C)[nH]c(C(=O)Cn2nc(-c3cccs3)oc2=O)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)Cn2nc(oc2=O)-c2cccs2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)Cn2nc(-c3cccs3)oc2=O)c1C c1csc(c1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)Cn2nc(oc2=O)[*:1])c1C
COc1ccc([C@H](NC(=O)N2CCCSCC2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)N1CCCSCC1)[*:1]
COc1ccc([C@H](NC(=O)N2CCCSCC2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](C1CCOCC1)[*:1])N1CCCSCC1
COc1cc2nc(C[NH2+]C(C)(C)C)[nH]c(=O)c2cc1OC CC(C)(C)[*:1] COc1cc2nc(C[NH2+][*:1])[nH]c(=O)c2cc1OC
CCOc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCS(=O)CC2)cc1 CCO[*:1] C[C@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)c1ccc(cc1)[*:1]
CCOc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCS(=O)CC2)cc1 O=S1CCN(CC1)[*:1] CCOc1ccc(cc1)[C@H](C)[NH2+]CC(C)(C)[*:1]
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])C[NH+](C)Cc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)S(=O)(=O)/N=C(\[O-])C[NH+](C)C[*:1]
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])C[NH+](C)Cc2ccccc2)s1 c1ccc(cc1)C[*:1] Cc1nc(C)c(s1)S(=O)(=O)/N=C(\[O-])C[NH+](C)[*:1]
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])C[NH+](C)Cc2ccccc2)s1 Cc1nc(C)c(s1)[*:1] C[NH+](C/C([O-])=N/S(=O)(=O)[*:1])Cc1ccccc1
CCC(C)(C)[NH+](C)Cc1ccc(OC)cc1OC CCC(C)(C)[*:1] COc1ccc(C[NH+](C)[*:1])c(c1)OC
CC(=O)c1ccc(O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 CC(=O)[*:1] C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Oc1ccc(cc1)[*:1]
CC(=O)c1ccc(O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 C[C@H]1CCCC[C@H]1[*:1] CC(=O)c1ccc(cc1)O[C@H](C)C(=O)N[*:1]
C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2F)C[C@H](C)O1 FC(F)(F)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1cc(ccc1F)[*:1]
Cc1noc([C@H]2CCCN(C(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)C2)n1 Cc1noc(n1)[*:1] Cc1c(cnn1-c1cccc(c1)C(F)(F)F)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1noc([C@H]2CCCN(C(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)C2)n1 FC(F)(F)c1cccc(c1)[*:1] Cc1noc(n1)[C@H]1CCCN(C1)C(=O)c1cnn(c1C)[*:1]
Cc1noc([C@H]2CCCN(C(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)C2)n1 FC(F)(F)[*:1] Cc1noc(n1)[C@H]1CCCN(C1)C(=O)c1cnn(-c2cccc(c2)[*:1])c1C
Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2ccccc2s1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)Nc1nc2ccccc2s1)[*:1]
CCCn1cc(-c2ccnc(N3CCN(Cc4csc(C)n4)CC3)n2)c(C)n1 CCC[*:1] Cc1nc(cs1)CN1CCN(CC1)c1nccc(n1)-c1cn(nc1C)[*:1]
CCCn1cc(-c2ccnc(N3CCN(Cc4csc(C)n4)CC3)n2)c(C)n1 Cc1nc(cs1)[*:1] CCCn1cc(-c2ccnc(n2)N2CCN(CC2)C[*:1])c(C)n1
CCCn1cc(-c2ccnc(N3CCN(Cc4csc(C)n4)CC3)n2)c(C)n1 Cc1nc(cs1)C[*:1] CCCn1cc(-c2ccnc(n2)N2CCN(CC2)[*:1])c(C)n1
CCCn1cc(-c2ccnc(N3CCN(Cc4csc(C)n4)CC3)n2)c(C)n1 CCCn1cc(c(C)n1)[*:1] Cc1nc(cs1)CN1CCN(CC1)c1nccc(n1)[*:1]
CC(C)CC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O CC(C)CC(C)(C)[*:1] O=C(Nc1cc(ccc1O)S(=O)(=O)N1CCCC1)[*:1]
CC(C)CC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O CC(C)C[*:1] CC(C)(C(=O)Nc1cc(ccc1O)S(=O)(=O)N1CCCC1)[*:1]
CC(C)CC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O CC(C)[*:1] CC(C)(C[*:1])C(=O)Nc1cc(ccc1O)S(=O)(=O)N1CCCC1
CC(C)CC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O O=S(=O)(N1CCCC1)[*:1] CC(C)CC(C)(C)C(=O)Nc1cc(ccc1O)[*:1]
Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2cc(F)c(F)c(F)c2)cc1 Cc1ccc(cc1)[*:1] Cc1c(nn2c1N=C(O)C[C@@H]2C(=O)Nc1cc(F)c(F)c(F)c1)[*:1]
Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2cc(F)c(F)c(F)c2)cc1 Fc1cc(cc(F)c1F)[*:1] Cc1ccc(cc1)-c1nn2c(N=C(O)C[C@@H]2C(=O)N[*:1])c1C
CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O CCO[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1c(ccc2ccccc12)[*:1]
NNc1cc[nH+]c(Cn2cc([N+](=O)[O-])ccc2=O)c1 O=[N+]([O-])[*:1] NNc1cc[nH+]c(c1)Cn1cc(ccc1=O)[*:1]
Cn1cc(CNc2ccc(N3CCOCC3)cn2)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(CNc2ccc(cn2)N2CCOCC2)c(n1)[*:1]
Cn1cc(CNc2ccc(N3CCOCC3)cn2)c(-c2cccs2)n1 C1CN(CCO1)[*:1] Cn1cc(CNc2ccc(cn2)[*:1])c(n1)-c1cccs1
O=C(Nc1cccc(Cn2cccn2)c1)c1cc(F)c(F)c(F)c1F c1cnn(c1)[*:1] O=C(Nc1cccc(c1)C[*:1])c1cc(F)c(F)c(F)c1F
O=C(Nc1cccc(Cn2cccn2)c1)c1cc(F)c(F)c(F)c1F c1cnn(c1)C[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(F)c(F)c(F)c1F
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 c1cc2OCOc2cc1C[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccc2OCOc2c1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NC[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CN(c1ccccc1)S(=O)(=O)[*:1])NCc1ccc2OCOc2c1
Cc1cc2c3c([nH]c2cc1S(=O)(=O)N[C@H](C)Cc1ccco1)CC(C)(C)CC3=O c1coc(c1)C[*:1] Cc1cc2c3C(=O)CC(C)(C)Cc3[nH]c2cc1S(=O)(=O)N[C@H](C)[*:1]
Cc1cc2c3c([nH]c2cc1S(=O)(=O)N[C@H](C)Cc1ccco1)CC(C)(C)CC3=O c1coc(c1)[*:1] Cc1cc2c3C(=O)CC(C)(C)Cc3[nH]c2cc1S(=O)(=O)N[C@H](C)C[*:1]
O=C(NCc1cnn(-c2ccccc2)c1)c1n[nH]c(=O)[nH]1 O=c1[nH]nc([nH]1)[*:1] O=C(NCc1cnn(c1)-c1ccccc1)[*:1]
O=C(NCc1cnn(-c2ccccc2)c1)c1n[nH]c(=O)[nH]1 c1ccc(cc1)[*:1] O=C(NCc1cnn(c1)[*:1])c1n[nH]c(=O)[nH]1
C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 NC(=O)[*:1] C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 c1ccc(cc1)[*:1] C[C@@H](CCO[*:1])C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1
C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 c1ccc(cc1)OC[*:1] C[C@@H](C[*:1])C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1
C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 c1ccc(cc1)O[*:1] C[C@@H](CC[*:1])C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1
CCc1ccsc1C(=O)N1CCNC(=O)[C@H]1C(C)C CC(C)[*:1] CCc1ccsc1C(=O)N1CCNC(=O)[C@@H]1[*:1]
C[C@@H](C(=O)C1CCC1)c1ccncc1 C1CC(C1)[*:1] C[C@@H](C(=O)[*:1])c1ccncc1
CC(=O)N1CCc2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc21 c1ccc(cc1)C[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)c1ccccc1C[*:1]
CC(=O)N1CCc2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc21 c1ccc(cc1)CC[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)c1ccccc1[*:1]
CC(=O)N1CCc2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)c1ccccc1CC[*:1]
Cc1cc(C)c(NC(=O)CN[C@@H](C(=O)N(C)C)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CN[C@@H](C(=O)N(C)C)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN[C@@H](C(=O)N(C)C)c2ccccc2)c(C)c1 CN(C)C(=O)[*:1] Cc1cc(C)c(NC(=O)CN[C@@H](c2ccccc2)[*:1])c(C)c1
O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Cc1csc(n1)NC(=O)Nc1ccc(Cl)cc1)N[*:1]
O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)N[*:1])Nc1ccc2OCOc2c1
COc1ccc2c(c1)=[NH+][C@@H](SC[C@@H]1Nc3ccc(Cl)cc3N1CCO)[NH+]=2 OCC[*:1] COc1ccc2=[NH+][C@@H]([NH+]=c2c1)SC[C@@H]1Nc2ccc(Cl)cc2N1[*:1]
O=C(NCCc1nnc2n1CCC2)N1CCC(Oc2ccc(F)cc2)CC1 Fc1ccc(cc1)O[*:1] O=C(NCCc1nnc2CCCn21)N1CCC(CC1)[*:1]
O=C(NCCc1nnc2n1CCC2)N1CCC(Oc2ccc(F)cc2)CC1 C1Cc2nnc(C[*:1])n2C1 O=C(NC[*:1])N1CCC(CC1)Oc1ccc(F)cc1
O=C(NCCc1nnc2n1CCC2)N1CCC(Oc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCCc1nnc2CCCn21)N1CCC(CC1)O[*:1]
O=C(NCCc1nnc2n1CCC2)N1CCC(Oc2ccc(F)cc2)CC1 C1Cc2nnc(n2C1)[*:1] O=C(NCC[*:1])N1CCC(CC1)Oc1ccc(F)cc1
Cc1csc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)n1 Cc1csc(n1)[*:1] O=C(NCc1ccc2OCOc2c1)c1ccc(cc1)CS[*:1]
Cc1csc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)n1 Cc1csc(n1)S[*:1] O=C(NCc1ccc2OCOc2c1)c1ccc(cc1)C[*:1]
Cc1csc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)n1 Cc1csc(n1)SC[*:1] O=C(NCc1ccc2OCOc2c1)c1ccc(cc1)[*:1]
Cc1csc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)n1 c1cc2OCOc2cc1[*:1] Cc1csc(n1)SCc1ccc(cc1)C(=O)NC[*:1]
COC(=O)C1=CC(=O)N2C(=NC(C)=C(C(=O)OC)[C@H]2c2cccc(OC)c2)S1 COc1cccc(c1)[*:1] COC(=O)C1=CC(=O)N2C(=NC(C)=C(C(=O)OC)[C@@H]2[*:1])S1
COC(=O)C1=CC(=O)N2C(=NC(C)=C(C(=O)OC)[C@H]2c2cccc(OC)c2)S1 COC(=O)[*:1] COC(=O)C1=C(C)N=C2SC(=CC(=O)N2[C@@H]1c1cccc(c1)OC)[*:1]
COC(=O)C1=CC(=O)N2C(=NC(C)=C(C(=O)OC)[C@H]2c2cccc(OC)c2)S1 COC(=O)[*:1] COC(=O)C1=CC(=O)N2C(=NC(C)=C([C@H]2c2cccc(c2)OC)[*:1])S1
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] CC[C@@H](Oc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(CC#N)cc1 COc1ccc(cc1)[*:1] CC[C@@H](O[*:1])C(=O)Nc1ccc(cc1)CC#N
Cc1cc(OCn2ccc(C(=O)Nc3cccnc3Cl)n2)ccc1Cl Clc1ncccc1[*:1] Cc1cc(ccc1Cl)OCn1ccc(n1)C(=O)N[*:1]
Cc1cc(OCn2ccc(C(=O)Nc3cccnc3Cl)n2)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C(Nc1cccnc1Cl)c1ccn(CO[*:1])n1
C[C@H]1CCc2c(sc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C#N)C1 O=[N+]([O-])[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1ccc(c(c1)[*:1])N1CCOCC1)c2C#N
C[C@H]1CCc2c(sc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C#N)C1 C1CN(CCO1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1])c2C#N
CNC(=O)c1cc(C)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 CNC(=O)[*:1] Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c(c1)[*:1]
O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(O)c(Cl)c1 Oc1ccc(cc1Cl)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(O)c(Cl)c1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCN(CC1)[*:1])c1ccc(O)c(Cl)c1
Cc1csc(NC(=O)c2ccc(CNS(C)(=O)=O)o2)n1 CS(=O)(=O)N[*:1] Cc1csc(n1)NC(=O)c1ccc(C[*:1])o1
Cc1csc(NC(=O)c2ccc(CNS(C)(=O)=O)o2)n1 Cc1csc(n1)[*:1] CS(=O)(=O)NCc1ccc(o1)C(=O)N[*:1]
Cc1csc(NC(=O)c2ccc(CNS(C)(=O)=O)o2)n1 CS(=O)(=O)NC[*:1] Cc1csc(n1)NC(=O)c1ccc(o1)[*:1]
CC[NH2+][C@H](c1ccc(F)c(Br)c1)c1occc1C Cc1ccoc1[*:1] CC[NH2+][C@H](c1ccc(F)c(Br)c1)[*:1]
O=C([O-])c1sccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 O=C([O-])[*:1] O=S(=O)(c1ccsc1[*:1])N1CCO[C@@H]2CCCC[C@@H]21
CC(C)C(=O)N[C@@H](Oc1ccccc1C(N)=O)C(Cl)(Cl)Cl CC(C)C(=O)N[*:1] NC(=O)c1ccccc1O[C@@H](C(Cl)(Cl)Cl)[*:1]
CC(C)C(=O)N[C@@H](Oc1ccccc1C(N)=O)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CC(C)C(=O)N[C@@H](Oc1ccccc1C(N)=O)[*:1]
CC(C)C(=O)N[C@@H](Oc1ccccc1C(N)=O)C(Cl)(Cl)Cl NC(=O)[*:1] CC(C)C(=O)N[C@@H](Oc1ccccc1[*:1])C(Cl)(Cl)Cl
CC(C)C(=O)N[C@@H](Oc1ccccc1C(N)=O)C(Cl)(Cl)Cl CC(C)[*:1] NC(=O)c1ccccc1O[C@H](NC(=O)[*:1])C(Cl)(Cl)Cl
CN(C[C@H]1CCOC1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 Fc1ccccc1[*:1] CN(C[C@H]1CCOC1)C(=O)N[C@@H]1CCCN(C1)[*:1]
CN(C[C@H]1CCOC1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 C1C[C@@H](CO1)C[*:1] CN(C(=O)N[C@@H]1CCCN(C1)c1ccccc1F)[*:1]
CN(C[C@H]1CCOC1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 C1C[C@@H](CO1)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCCN(C1)c1ccccc1F
CCOc1ccccc1NC(=O)Cc1c(C)nc2nc(SC)nn2c1C CCO[*:1] CSc1nc2nc(C)c(CC(=O)Nc3ccccc3[*:1])c(C)n2n1
CCOCCC(=O)Nc1ccc(S(C)(=O)=O)cc1 CCO[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)CC[*:1]
CCOCCC(=O)Nc1ccc(S(C)(=O)=O)cc1 CCOCC[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CCOCCC(=O)Nc1ccc(S(C)(=O)=O)cc1 CCOC[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
CCOCCC(=O)Nc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCOCCC(=O)Nc1ccc(cc1)[*:1]
CCN1CCN(CC(=O)N[C@@H]2C[C@@H]2C)C(=O)C1=O C[C@H]1C[C@H]1[*:1] CCN1CCN(CC(=O)N[*:1])C(=O)C1=O
COC(=O)C(C)(C)C[NH+]1Cc2ccccc2C1 COC(=O)[*:1] CC(C)(C[NH+]1Cc2ccccc2C1)[*:1]
O=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)Nc1ccccc1 O=C(CC[*:1])Nc1ccccc1 O=c1c2ccccc2n2c(nnc2n1Cc1ccccc1Cl)[*:1]
O=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)Nc1ccccc1 Clc1ccccc1C[*:1] O=C(CCc1nnc2n(c(=O)c3ccccc3n12)[*:1])Nc1ccccc1
O=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=c1c2ccccc2n2c(C[*:1])nnc2n1Cc1ccccc1Cl
O=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)N[*:1]
O=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)Nc1ccccc1 Clc1ccccc1[*:1] O=C(CCc1nnc2n(C[*:1])c(=O)c3ccccc3n12)Nc1ccccc1
O=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=c1c2ccccc2n2c(CC[*:1])nnc2n1Cc1ccccc1Cl
COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)[*:1] COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)OC[*:1]
COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F COc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)OCC(F)(F)F
COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)C[*:1] COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)O[*:1]
O=C(CC1CCCC1)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 C1CCC(C1)[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1n[nH]c2nccnc12
O=C(CC1CCCC1)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 C1CCC(C1)C[*:1] O=C(N1CCC[C@H](C1)c1n[nH]c2nccnc12)[*:1]
Cc1cccc(N2C[C@H](C(=O)OCCc3scnc3C)CC2=O)c1C Cc1ncsc1CC[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)O[*:1]
Cc1cccc(N2C[C@H](C(=O)OCCc3scnc3C)CC2=O)c1C Cc1cccc(c1C)[*:1] Cc1ncsc1CCOC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(N2C[C@H](C(=O)OCCc3scnc3C)CC2=O)c1C Cc1ncsc1[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)OCC[*:1]
Cc1cccc(N2C[C@H](C(=O)OCCc3scnc3C)CC2=O)c1C Cc1ncsc1C[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)OC[*:1]
Cc1nc(N2CCC[C@]3(CN(C)C(=O)O3)C2)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Cc1nc(cc(n1)[*:1])N1CCC[C@]2(CN(C)C(=O)O2)C1
C[C@H]1Cc2ccccc2N1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)c1cccc(c1)NC(=O)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 O=C(N[*:1])[C@@H]1CCCO1 C[C@H]1Cc2ccccc2N1C(=O)c1cccc(c1)[*:1]
CC[C@]1(C(=O)NCC2CCN(CC#N)CC2)CCCN1C(=O)OC(C)(C)C N#CC[*:1] CC[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)NCC1CCN(CC1)[*:1]
CC[C@]1(C(=O)NCC2CCN(CC#N)CC2)CCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CC[C@@]1(CCCN1C(=O)O[*:1])C(=O)NCC1CCN(CC#N)CC1
CC[C@]1(C(=O)NCC2CCN(CC#N)CC2)CCCN1C(=O)OC(C)(C)C N#CCN1CCC(CC1)[*:1] CC[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)NC[*:1]
C[C@H](CCS)CCOc1cc(F)ccc1F SCC[*:1] C[C@H](CCOc1cc(F)ccc1F)[*:1]
C[C@H](CCS)CCOc1cc(F)ccc1F C[C@H](CCS)[*:1] Fc1ccc(F)c(c1)OCC[*:1]
C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)[*:1]
C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(S(C)(=O)=O)cc1 c1cc2OCCOc2cc1[*:1] C[C@@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccc(cc1)S(C)(=O)=O
COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 COC[C@@H](C)NC(=O)[*:1] COc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)[*:1]
COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 COC[*:1] COc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C)[*:1]
C[C@H]1C[C@@H](S[C@@H](C)[C@@H](C)O)C(=O)O1 C[C@@H](O)[*:1] C[C@H]1C[C@@H](S[C@@H](C)[*:1])C(=O)O1
COc1ccc(C(N)=O)cc1NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C Fc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)N1C[C@@H](C[C@H]1C)[*:1])C(N)=O
COc1ccc(C(N)=O)cc1NC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C NC(=O)[*:1] COc1ccc(cc1NC(=O)N1C[C@H](C[C@H]1C)c1ccc(F)cc1)[*:1]
CC[NH2+][C@H]1CCC[C@@H](COC)C1 COC[*:1] CC[NH2+][C@H]1CCC[C@@H](C1)[*:1]
Cc1cc(S(=O)(=O)N[C@@](C)(C#N)C(C)C)c(Cl)cc1F CC(C)[*:1] Cc1cc(c(Cl)cc1F)S(=O)(=O)N[C@@](C)(C#N)[*:1]
CN(CC(=O)N[C@@H]1CCc2cc(F)ccc21)c1ccc(C#N)cn1 N#Cc1ccc(nc1)[*:1] CN(CC(=O)N[C@@H]1CCc2cc(F)ccc21)[*:1]
Cc1ccc(N(C)[C@@H](C)Cc2cccs2)c(N)c1 c1csc(c1)C[*:1] Cc1ccc(c(N)c1)N(C)[C@@H](C)[*:1]
Cc1ccc(N(C)[C@@H](C)Cc2cccs2)c(N)c1 c1csc(c1)[*:1] Cc1ccc(c(N)c1)N(C)[C@@H](C)C[*:1]
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 c1csc(c1)[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[*:1]
CCCCC[C@H](C)n1c([C@@H](C)Cl)nc2c(C)ccnc21 CCCCC[*:1] Cc1ccnc2c1nc([C@@H](C)Cl)n2[C@@H](C)[*:1]
CCCCC[C@H](C)n1c([C@@H](C)Cl)nc2c(C)ccnc21 CCC[*:1] Cc1ccnc2c1nc([C@@H](C)Cl)n2[C@@H](C)CC[*:1]
CCCCC[C@H](C)n1c([C@@H](C)Cl)nc2c(C)ccnc21 C[C@@H](Cl)[*:1] CCCCC[C@H](C)n1c(nc2c(C)ccnc21)[*:1]
CCCCC[C@H](C)n1c([C@@H](C)Cl)nc2c(C)ccnc21 CCCC[*:1] Cc1ccnc2c1nc([C@@H](C)Cl)n2[C@@H](C)C[*:1]
O=C(NCCc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(NCCc1nc2ccccc2[nH]1)C(=O)N[*:1]
CCSc1nnc(NC(=O)CN2C[C@H]([O-])[C@@H]([NH+]3CCCC3)C2)s1 CCS[*:1] O=C(CN1C[C@H]([O-])[C@H](C1)[NH+]1CCCC1)Nc1nnc(s1)[*:1]
C[C@]1(c2ccco2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O Clc1cccc(c1)[*:1] C[C@@]1(NC(=O)N(CCO[*:1])C1=O)c1ccco1
C[C@]1(c2ccco2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O c1coc(c1)[*:1] C[C@@]1(NC(=O)N(CCOc2cccc(Cl)c2)C1=O)[*:1]
CC1=NC(C)=C(C(=O)N2CCCC2)[C@@H]1S(=O)(=O)[N-]c1ccccc1F O=C(N1CCCC1)[*:1] CC1=NC(C)=C([C@@H]1S(=O)(=O)[N-]c1ccccc1F)[*:1]
CC1=NC(C)=C(C(=O)N2CCCC2)[C@@H]1S(=O)(=O)[N-]c1ccccc1F Fc1ccccc1[*:1] CC1=NC(C)=C(C(=O)N2CCCC2)[C@@H]1S(=O)(=O)[N-][*:1]
C[C@H]1Cc2c(NC(=O)/C=C\c3ccccc3)nn(C)c2NC1=O c1ccc(cc1)[*:1] C[C@H]1Cc2c(nn(C)c2NC1=O)NC(=O)C=C[*:1]
N#C[C@H](NC(=O)[C@H]1CCOc2ccccc21)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] N#C[C@H](NC(=O)[C@H]1CCOc2ccccc21)[*:1]
CCOC(=O)c1c(N)c(-c2nc3ccccc3[nH]2)c2ccccn12 CCOC(=O)[*:1] Nc1c(-c2nc3ccccc3[nH]2)c2ccccn2c1[*:1]
Cc1ccc(NC(=O)C(=O)N2CCO[C@H](c3cccc(F)c3)C2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])C(=O)N1CCO[C@@H](C1)c1cccc(F)c1
Cc1ccc(NC(=O)C(=O)N2CCO[C@H](c3cccc(F)c3)C2)c(Cl)c1 Fc1cccc(c1)[*:1] Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C2)[*:1])c(Cl)c1
CC(C)(C)c1cc(NC(=O)CS(=O)(=O)Cc2ccon2)on1 CC(C)(C)[*:1] O=C(CS(=O)(=O)Cc1ccon1)Nc1cc(no1)[*:1]
CC(C)(C)c1cc(NC(=O)CS(=O)(=O)Cc2ccon2)on1 c1cc(no1)[*:1] CC(C)(C)c1cc(NC(=O)CS(=O)(=O)C[*:1])on1
CC(C)(C)c1cc(NC(=O)CS(=O)(=O)Cc2ccon2)on1 c1cc(C[*:1])no1 CC(C)(C)c1cc(NC(=O)CS(=O)(=O)[*:1])on1
Cc1ccccc1OCCn1c(CNC(=O)[C@H]2CCCO2)nc2ccccc21 Cc1ccccc1[*:1] O=C(NCc1nc2ccccc2n1CCO[*:1])[C@H]1CCCO1
Cc1ccccc1OCCn1c(CNC(=O)[C@H]2CCCO2)nc2ccccc21 Cc1ccccc1O[*:1] O=C(NCc1nc2ccccc2n1CC[*:1])[C@H]1CCCO1
Cc1ccccc1OCCn1c(CNC(=O)[C@H]2CCCO2)nc2ccccc21 Cc1ccccc1OC[*:1] O=C(NCc1nc2ccccc2n1C[*:1])[C@H]1CCCO1
Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(F)c1 Cc1ccc(c(F)c1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccco1
Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(F)c1 c1coc(c1)[*:1] Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])c(F)c1
O=C(N[C@H](N1CC[NH+](Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@H](N1CC[NH+](CC1)[*:1])C(Cl)(Cl)Cl)c1ccccc1
O=C(N[C@H](N1CC[NH+](Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1ccccc1 ClC(Cl)(Cl)[*:1] O=C(N[C@H](N1CC[NH+](CC1)Cc1ccccc1)[*:1])c1ccccc1
O=C(N[C@H](N1CC[NH+](Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1ccccc1 O=C(N[*:1])c1ccccc1 ClC(Cl)(Cl)[C@@H](N1CC[NH+](CC1)Cc1ccccc1)[*:1]
O=C(N[C@H](N1CC[NH+](Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](N1CC[NH+](CC1)Cc1ccccc1)C(Cl)(Cl)Cl)[*:1]
O=C(N[C@H](N1CC[NH+](Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](N1CC[NH+](CC1)C[*:1])C(Cl)(Cl)Cl)c1ccccc1
COC(=O)c1csc(S(=O)(=O)Nc2[nH]nc(C)c2C)c1 COC(=O)[*:1] Cc1n[nH]c(NS(=O)(=O)c2cc(cs2)[*:1])c1C
Cc1cc(C)cc(C(=O)N(c2ccc(Cl)cc2)[C@@H]2C=CS(=O)(=O)C2)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C(=O)N([C@@H]1C=CS(=O)(=O)C1)[*:1]
Cc1cc(C)cc(C(=O)N(c2ccc(Cl)cc2)[C@@H]2C=CS(=O)(=O)C2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N(c1ccc(Cl)cc1)[C@@H]1C=CS(=O)(=O)C1)[*:1]
C[NH+]1CCC(NC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC1 Clc1cccc(c1)C[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1ncc(s1)[*:1]
C[NH+]1CCC(NC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC1 Clc1cccc(c1)[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1ncc(C[*:1])s1
CC(C)(CNC(=O)Nc1cccnc1-n1cccn1)N1CCOCC1 c1cnn(c1)[*:1] CC(C)(CNC(=O)Nc1cccnc1[*:1])N1CCOCC1
CC(C)(CNC(=O)Nc1cccnc1-n1cccn1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)Nc1cccnc1-n1cccn1)[*:1]
COc1ccccc1-n1ncc2c([O-])nc(SCc3ccccc3C)nc21 Cc1ccccc1CS[*:1] COc1ccccc1-n1ncc2c([O-])nc(nc21)[*:1]
COc1ccccc1-n1ncc2c([O-])nc(SCc3ccccc3C)nc21 Cc1ccccc1[*:1] COc1ccccc1-n1ncc2c([O-])nc(nc21)SC[*:1]
COc1ccccc1-n1ncc2c([O-])nc(SCc3ccccc3C)nc21 COc1ccccc1[*:1] Cc1ccccc1CSc1nc([O-])c2cnn(c2n1)[*:1]
COc1ccccc1-n1ncc2c([O-])nc(SCc3ccccc3C)nc21 Cc1ccccc1C[*:1] COc1ccccc1-n1ncc2c([O-])nc(nc21)S[*:1]
Cn1ccnc1[C@@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccc(Cl)cc1 Clc1ccccc1C[*:1] Cn1ccnc1[C@@H](NC(=O)c1cnn(c1)[*:1])c1ccc(Cl)cc1
Cn1ccnc1[C@@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccc(Cl)cc1 Cn1ccnc1[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)[*:1])c1cnn(c1)Cc1ccccc1Cl
Cn1ccnc1[C@@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccc(Cl)cc1 Clc1ccccc1[*:1] Cn1ccnc1[C@@H](NC(=O)c1cnn(c1)C[*:1])c1ccc(Cl)cc1
Cn1ccnc1[C@@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)c1cnn(c1)Cc1ccccc1Cl)[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccnn1C1CCCC1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])Nc1ccnn1C1CCCC1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccnn1C1CCCC1 C1CCC(C1)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])Nc1ccnn1[*:1]
C=CCN(Cc1cccs1)C(=O)CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O C=CC[*:1] Cc1ccc(cc1)N1C(=O)N(CC(=O)N(Cc2cccs2)[*:1])C(=O)[C@H]1C
C=CCN(Cc1cccs1)C(=O)CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O Cc1ccc(cc1)[*:1] C=CCN(Cc1cccs1)C(=O)CN1C(=O)[C@@H](C)N(C1=O)[*:1]
C=CCN(Cc1cccs1)C(=O)CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O c1csc(c1)C[*:1] C=CCN(C(=O)CN1C(=O)[C@@H](C)N(C1=O)c1ccc(C)cc1)[*:1]
C=CCN(Cc1cccs1)C(=O)CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)CN1C(=O)[C@@H](C)N(C1=O)c1ccc(C)cc1
Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)N[*:1]
Cc1cccc(C(=O)N2CCCN(C(=O)Nc3ccccc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1)N1CCCN(CC1)C(=O)[*:1]
CCc1onc(C)c1NC(=O)CCCC(C)(C)C CC(C)(C)CC[*:1] CCc1onc(C)c1NC(=O)C[*:1]
CCc1onc(C)c1NC(=O)CCCC(C)(C)C CC(C)(C)[*:1] CCc1onc(C)c1NC(=O)CCC[*:1]
CCc1onc(C)c1NC(=O)CCCC(C)(C)C CC(C)(C)C[*:1] CCc1onc(C)c1NC(=O)CC[*:1]
COCCNC(=O)c1cn(C2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nn1 COCCNC(=O)[*:1] O=C(N1CCC(CC1)n1cc(nn1)[*:1])C12CC3CC(CC(C3)C1)C2
COCCNC(=O)c1cn(C2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nn1 COC[*:1] O=C(NC[*:1])c1cn(nn1)C1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2
COCCNC(=O)c1cn(C2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nn1 COCC[*:1] O=C(N[*:1])c1cn(nn1)C1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2
CCc1noc(C2CCN(C(=O)c3cc(C)no3)CC2)n1 Cc1cc(on1)[*:1] CCc1noc(n1)C1CCN(CC1)C(=O)[*:1]
CCc1noc(C2CCN(C(=O)c3cc(C)no3)CC2)n1 CCc1noc(n1)[*:1] Cc1cc(on1)C(=O)N1CCC(CC1)[*:1]
CCC[C@H]1CN(C(=O)COc2cccc(C(N)=O)c2)CCO1 NC(=O)[*:1] CCC[C@H]1CN(CCO1)C(=O)COc1cccc(c1)[*:1]
CCC[C@H]1CN(C(=O)COc2cccc(C(N)=O)c2)CCO1 CCC[*:1] NC(=O)c1cccc(c1)OCC(=O)N1CCO[C@H](C1)[*:1]
CC[C@@H](C)NC(=O)CSc1nc([C@@H]2CCCO2)n[nH]1 CC[C@@H](C)[*:1] O=C(CSc1nc(n[nH]1)[C@@H]1CCCO1)N[*:1]
CC[C@@H](C)NC(=O)CSc1nc([C@@H]2CCCO2)n[nH]1 C1CO[C@@H](C1)[*:1] CC[C@@H](C)NC(=O)CSc1nc(n[nH]1)[*:1]
CCN(C(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCN(C(=O)CN1C(=O)SC(=C[*:1])C1=O)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(CN2CCOC[C@@H]2C2CC2)nc1 C1CC1[*:1] Cc1ccc(CN2CCOC[C@H]2[*:1])nc1
Cc1cc(C)c(C(=O)OCC(=O)N(C)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)OCC(=O)N(C)[*:1])c(C)c1
CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(COCc2ccco2)c1 c1coc(c1)C[*:1] CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(c1)CO[*:1]
CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(COCc2ccco2)c1 c1coc(c1)[*:1] CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(c1)COC[*:1]
CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(COCc2ccco2)c1 c1coc(c1)COC[*:1] CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(c1)[*:1]
CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(COCc2ccco2)c1 c1coc(c1)CO[*:1] CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(c1)C[*:1]
Cn1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)n1 Cn1ccc(n1)[*:1] O=C(N[*:1])c1cc(F)c(F)c(F)c1F
Cc1ccc([C@H](C)Nc2ccc(C(=O)[O-])cc2Cl)cc1F O=C([O-])[*:1] Cc1ccc(cc1F)[C@H](C)Nc1ccc(cc1Cl)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CCCC(=O)Nc1cccc(c1)CNC(=O)N(C)[C@@H](C)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 CCC[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 CCCC(=O)N[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1cccc(c1)[*:1]
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1C1CCCC1 O=[N+]([O-])[*:1] O=C1c2cccc3c(ccc(C(=O)N1C1CCCC1)c23)[*:1]
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1C1CCCC1 C1CCC(C1)[*:1] O=C1c2cccc3c(ccc(C(=O)N1[*:1])c23)[N+](=O)[O-]
O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)N1CCCN1[C@H]2c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)N1CCCN1[C@@H]2[*:1]
O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)N1CCCN1[C@H]2c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H]2[C@@H](C(=O)N1[*:1])N1CCCN1[C@H]2c1ccccc1
COC[C@@H](C)[NH2+][C@H](C)[C@H](O)c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)[NH2+][C@H](C)[*:1]
COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](c3nncn3C)C2)cc1 Cn1cnnc1[*:1] COc1ccc(cc1)-c1n[nH]cc1CN1CCC[C@@H](C1)[*:1]
COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](c3nncn3C)C2)cc1 COc1ccc(cc1)[*:1] Cn1cnnc1[C@@H]1CCCN(Cc2c[nH]nc2[*:1])C1
CCN(CC(C)(C)O)C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C CC(C)(O)[*:1] CCN(C[*:1])C(=O)c1nnn(-c2ccc(cc2)OC(F)F)c1C
CCN(CC(C)(C)O)C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C FC(F)[*:1] CCN(CC(C)(C)O)C(=O)c1nnn(-c2ccc(cc2)O[*:1])c1C
CCN(CC(C)(C)O)C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C FC(F)O[*:1] CCN(CC(C)(C)O)C(=O)c1nnn(-c2ccc(cc2)[*:1])c1C
CCN(CC(C)(C)O)C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C CC(C)(O)C[*:1] CCN(C(=O)c1nnn(-c2ccc(cc2)OC(F)F)c1C)[*:1]
N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCC1 Clc1ccc(cc1)[*:1] N#Cc1nc(CO[*:1])oc1N1CCCC1
N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCC1 C1CCN(C1)[*:1] N#Cc1nc(COc2ccc(Cl)cc2)oc1[*:1]
C=C[C@@H](CC(=O)NNc1cccc(C)c1)c1ccccc1 Cc1cccc(c1)[*:1] C=C[C@@H](CC(=O)NN[*:1])c1ccccc1
C=C[C@@H](CC(=O)NNc1cccc(C)c1)c1ccccc1 c1ccc(cc1)[*:1] C=C[C@@H](CC(=O)NNc1cccc(C)c1)[*:1]
Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCCC(=O)N1CCN(CC1)[*:1]
Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CCNS(=O)(=O)[*:1])N1CCN(CC1)Cc1ccccc1
Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCCC(=O)N1CCN(CC1)C[*:1]
COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)c1c[nH]nc1[*:1])C(C)(C)C[NH+](C)C
O=C(Nc1nc(C2CC2)cs1)[C@H]1CSc2ccccc2O1 C1CC1[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1CSc2ccccc2O1
CCc1cccc(C)c1NC(=O)c1cccc(CC#N)c1 N#CC[*:1] CCc1cccc(C)c1NC(=O)c1cccc(c1)[*:1]
CC(=O)N[C@H](C(=O)NCc1c(C)cc(C)[nH]c1=O)C(C)C CC(=O)N[*:1] Cc1cc(C)c(CNC(=O)[C@H](C(C)C)[*:1])c(=O)[nH]1
CC(=O)N[C@H](C(=O)NCc1c(C)cc(C)[nH]c1=O)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)NCc1c(C)cc(C)[nH]c1=O)[*:1]
CCn1c(C)cc(C(=O)NCc2ncc(-c3ccccc3)o2)c1C c1ccc(cc1)[*:1] CCn1c(C)cc(C(=O)NCc2ncc(o2)[*:1])c1C
CC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)CC1 Cc1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)[C@H]1CC(=O)N(C1=O)[*:1]
CCOC(=O)c1nc(CC)oc1NC(=O)c1oc2c(C)cccc2c1C CCOC(=O)[*:1] CCc1nc(c(NC(=O)c2oc3c(C)cccc3c2C)o1)[*:1]
O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3Cl)c2ncn1C[C@@H]1CCCO1 Clc1ccccc1C[*:1] O=c1c2c3nc4ccccc4nc3n(c2ncn1C[C@@H]1CCCO1)[*:1]
O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3Cl)c2ncn1C[C@@H]1CCCO1 Clc1ccccc1[*:1] O=c1c2c3nc4ccccc4nc3n(C[*:1])c2ncn1C[C@@H]1CCCO1
Cc1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)C(=O)Nc1cccc(F)c1[*:1]
C=CCN(Cc1cccs1)S(=O)(=O)c1sccc1OC c1csc(c1)[*:1] C=CCN(C[*:1])S(=O)(=O)c1sccc1OC
C=CCN(Cc1cccs1)S(=O)(=O)c1sccc1OC C=CC[*:1] COc1ccsc1S(=O)(=O)N(Cc1cccs1)[*:1]
C=CCN(Cc1cccs1)S(=O)(=O)c1sccc1OC c1csc(c1)C[*:1] C=CCN(S(=O)(=O)c1sccc1OC)[*:1]
Clc1cccc(CSc2nnc(-c3cccs3)n2C2CC2)c1 c1csc(c1)[*:1] Clc1cccc(c1)CSc1nnc(n1C1CC1)[*:1]
Clc1cccc(CSc2nnc(-c3cccs3)n2C2CC2)c1 C1CC1[*:1] Clc1cccc(c1)CSc1nnc(-c2cccs2)n1[*:1]
Clc1cccc(CSc2nnc(-c3cccs3)n2C2CC2)c1 Clc1cccc(c1)[*:1] c1csc(c1)-c1nnc(SC[*:1])n1C1CC1
CN(C)S(=O)(=O)c1ccc(Cn2ccnc2S(C)(=O)=O)o1 CN(C)S(=O)(=O)[*:1] CS(=O)(=O)c1nccn1Cc1ccc(o1)[*:1]
CN(C)S(=O)(=O)c1ccc(Cn2ccnc2S(C)(=O)=O)o1 CS(=O)(=O)[*:1] CN(C)S(=O)(=O)c1ccc(Cn2ccnc2[*:1])o1
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(C(=O)OC(C)(C)C)c2)s1 CC(C)(C)[*:1] Cc1nc(C)c(s1)[C@@H](C)N(C)C(=O)c1cccc(c1)C(=O)O[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(C(=O)OC(C)(C)C)c2)s1 CC(C)(C)OC(=O)[*:1] Cc1nc(C)c(s1)[C@@H](C)N(C)C(=O)c1cccc(c1)[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(C(=O)OC(C)(C)C)c2)s1 Cc1nc(C)c(s1)[*:1] C[C@@H](N(C)C(=O)c1cccc(c1)C(=O)OC(C)(C)C)[*:1]
COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCO[C@@H]2C)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)[C@H]1CCO[C@@H]1C)[*:1]
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(/C=C(\C#N)C(=O)N[*:1])cc1
COC1CCN(S(=O)(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)CC1 OCc1cccc(c1)[*:1] COC1CCN(CC1)S(=O)(=O)N1CC[C@@H](C1)C[*:1]
N#Cc1ccc(Oc2cccc(NC(=O)NCCn3cccc3)c2)cc1 c1ccn(c1)CC[*:1] N#Cc1ccc(cc1)Oc1cccc(c1)NC(=O)N[*:1]
N#Cc1ccc(Oc2cccc(NC(=O)NCCn3cccc3)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCCn1cccc1)Nc1cccc(c1)O[*:1]
N#Cc1ccc(Oc2cccc(NC(=O)NCCn3cccc3)c2)cc1 c1ccn(c1)C[*:1] N#Cc1ccc(cc1)Oc1cccc(c1)NC(=O)NC[*:1]
N#Cc1ccc(Oc2cccc(NC(=O)NCCn3cccc3)c2)cc1 c1ccn(c1)[*:1] N#Cc1ccc(cc1)Oc1cccc(c1)NC(=O)NCC[*:1]
C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NS(=O)(=O)c1ccc2CCCc2c1)[*:1]
CN(C)S(=O)(=O)N1CCC(C(=O)NCCC2CCCCCC2)CC1 C1CCCC(CC1)[*:1] CN(C)S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
CN(C)S(=O)(=O)N1CCC(C(=O)NCCC2CCCCCC2)CC1 C1CCCC(CC1)C[*:1] CN(C)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
COc1cc([C@H]2[C@H](C(N)=O)[C@@H](C)Nc3ncnn32)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OC[*:1])[C@H]1[C@H](C(N)=O)[C@@H](C)Nc2ncnn21
COc1cc([C@H]2[C@H](C(N)=O)[C@@H](C)Nc3ncnn32)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OCC(N)=O)[C@H]1[C@H]([C@@H](C)Nc2ncnn21)[*:1]
COc1cc([C@H]2[C@H](C(N)=O)[C@@H](C)Nc3ncnn32)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(ccc1O[*:1])[C@H]1[C@H](C(N)=O)[C@@H](C)Nc2ncnn21
COc1cc([C@H]2[C@H](C(N)=O)[C@@H](C)Nc3ncnn32)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(ccc1[*:1])[C@H]1[C@H](C(N)=O)[C@@H](C)Nc2ncnn21
O=[S@@](Cc1nnc(-c2ccccc2Cl)o1)c1ncccc1Cl Clc1cccnc1[*:1] O=[S@@](Cc1nnc(o1)-c1ccccc1Cl)[*:1]
O=[S@@](Cc1nnc(-c2ccccc2Cl)o1)c1ncccc1Cl Clc1ccccc1[*:1] O=[S@@](Cc1nnc(o1)[*:1])c1ncccc1Cl
O=C1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2N1 O=[N+]([O-])[*:1] O=C1CN(C(=O)c2ccc(cc2F)[*:1])c2ccccc2N1
Cc1ccc(NC(=O)/C=C2/CS[C@@H](NC(=O)C3=CCC(=O)N=C3)N2)cc1F Cc1ccc(cc1F)[*:1] O=C1CC=C(C=N1)C(=O)N[C@H]1N/C(=C\C(=O)N[*:1])CS1
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)Nc1ccc(c(Cl)c1)[N+](=O)[O-]
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)Nc1ccc(c(Cl)c1)[N+](=O)[O-])[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
COCCn1c(=O)n(Cc2csc(C)n2)c2cc(C(=O)OC)ccc21 Cc1nc(cs1)C[*:1] COCCn1c(=O)n(c2cc(ccc21)C(=O)OC)[*:1]
COCCn1c(=O)n(Cc2csc(C)n2)c2cc(C(=O)OC)ccc21 COC(=O)[*:1] COCCn1c(=O)n(Cc2csc(C)n2)c2cc(ccc21)[*:1]
COCCn1c(=O)n(Cc2csc(C)n2)c2cc(C(=O)OC)ccc21 COC[*:1] COC(=O)c1ccc2c(c1)n(Cc1csc(C)n1)c(=O)n2C[*:1]
COCCn1c(=O)n(Cc2csc(C)n2)c2cc(C(=O)OC)ccc21 Cc1nc(cs1)[*:1] COCCn1c(=O)n(C[*:1])c2cc(ccc21)C(=O)OC
COCCn1c(=O)n(Cc2csc(C)n2)c2cc(C(=O)OC)ccc21 COCC[*:1] COC(=O)c1ccc2c(c1)n(Cc1csc(C)n1)c(=O)n2[*:1]
CCOc1ccc2c(c1)CN(S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)CC2 CCO[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)N1CCc2ccc(cc2C1)[*:1]
CC(=O)NC1CCN(C(=O)N[C@@H](c2ccccn2)C(C)C)CC1 CC(=O)N[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccccn1
CC(=O)NC1CCN(C(=O)N[C@@H](c2ccccn2)C(C)C)CC1 CC(C)[*:1] CC(=O)NC1CCN(CC1)C(=O)N[C@@H](c1ccccn1)[*:1]
CC(=O)NC1CCN(C(=O)N[C@@H](c2ccccn2)C(C)C)CC1 c1ccc(nc1)[*:1] CC(=O)NC1CCN(CC1)C(=O)N[C@@H](C(C)C)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c1 CCN(CC)C(=O)[*:1] Cc1nc(C)c(CCC(=O)Nc2cccc(c2)[*:1])c(=O)[nH]1
CCN(CC)C(=O)c1cccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c1 Cc1nc(C)c(c(=O)[nH]1)[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)CC[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2[C@H](C)c1ccccc1F Fc1ccccc1[*:1] CCc1nn(C)c2c1[nH]c(=S)n2[C@H](C)[*:1]
Cc1cc(O)c(-c2cc(C(=O)Nc3cccnc3)n[nH]2)cc1C c1cncc(c1)[*:1] Cc1cc(O)c(cc1C)-c1cc(n[nH]1)C(=O)N[*:1]
C[C@@H](Cn1cc(N)cn1)C(N)=O NC(=O)[*:1] C[C@@H](Cn1cc(N)cn1)[*:1]
CCCC(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 CCC[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 CCCC(=O)N[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(c1)[*:1]
C=CC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 N#CC[*:1] C=CC1CC[NH+](CCC(=O)N(C)C[*:1])CC1
C=CC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 N#CCC[*:1] C=CC1CC[NH+](CCC(=O)N(C)[*:1])CC1
CC[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 O=[N+]([O-])[*:1] CC[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(Br)cc1[*:1]
COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)on2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1cc(on1)[*:1]
CCc1cccc(C)c1NC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] CCc1cccc(C)c1NC(=O)NCC(C)(C)[*:1]
CSc1ccc(N2C[C@@H](c3ccccc3C)C[C@H]2C)nn1 Cc1ccccc1[*:1] CSc1ccc(nn1)N1C[C@@H](C[C@H]1C)[*:1]
COc1ccc(CCC(=O)OCc2cn3ccccc3c2C#N)cc1 COc1ccc(cc1)[*:1] N#Cc1c(cn2ccccc12)COC(=O)CC[*:1]
CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccccc1)[*:1])Nc1ccc2OCOc2c1
CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1ccc2OCOc2c1)[*:1]
CC[C@H](c1ccccc1)[C@@H](C)OC(=O)c1ccccc1C(=O)[O-] O=C([O-])[*:1] CC[C@H](c1ccccc1)[C@@H](C)OC(=O)c1ccccc1[*:1]
CC[C@H](c1ccccc1)[C@@H](C)OC(=O)c1ccccc1C(=O)[O-] c1ccc(cc1)[*:1] CC[C@H]([C@@H](C)OC(=O)c1ccccc1C(=O)[O-])[*:1]
COc1ccccc1NC(=O)/C(C#N)=C([O-])\C=C(\C)C(C)(C)C CC(C)(C)[*:1] COc1ccccc1NC(=O)/C(C#N)=C(/[O-])C=C(C)[*:1]
CC(C)(C)Oc1cc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])N1CCC[C@H]1CN1CCOCC1
CC(C)(C)Oc1cc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])N1CCC[C@H]1CN1CCOCC1
CC(C)(C)Oc1cc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)ccn1 C1CN(CCO1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)N1CCC[C@H]1C[*:1]
CC(C)(C)Oc1cc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)ccn1 C1CN(CCO1)C[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)N1CCC[C@@H]1[*:1]
CN(Cc1cc2ccccc2o1)C(=O)NNC(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CN(Cc1cc2ccccc2o1)C(=O)NNC(=O)[*:1]
C[C@H](Nc1ccc(CN2CCCC2=O)cc1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@H](Nc1ccc(cc1)CN1CCCC1=O)[*:1]
C[C@H](Nc1ccc(CN2CCCC2=O)cc1)c1c(F)cccc1F O=C1CCCN1C[*:1] C[C@H](Nc1ccc(cc1)[*:1])c1c(F)cccc1F
C[C@H](Nc1ccc(CN2CCCC2=O)cc1)c1c(F)cccc1F O=C1CCCN1[*:1] C[C@H](Nc1ccc(cc1)C[*:1])c1c(F)cccc1F
C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)[*:1]
Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(-c3n[nH]c(C)n3)cc2)c1 Cc1nc(n[nH]1)[*:1] Cc1cc(C)cc(c1)C[C@H](C)NC(=O)c1ccc(cc1)[*:1]
Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(-c3n[nH]c(C)n3)cc2)c1 Cc1cc(C)cc(c1)[*:1] Cc1nc(n[nH]1)-c1ccc(cc1)C(=O)N[C@@H](C)C[*:1]
CCCOc1ncccc1C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C CCC[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)[NH2+]Cc1cccnc1O[*:1]
CCCOc1ncccc1C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C CCCO[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)[NH2+]Cc1cccnc1[*:1]
O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1 FC(F)(F)[*:1] O=S(=O)(NCc1cccc(c1)[*:1])c1ccc2ccccc2c1
CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccco2)c1 CC[C@H](C)[*:1] C[C@H]([NH2+]Cc1cccc(c1)NC(=O)[*:1])c1ccco1
CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccco2)c1 c1coc(c1)[*:1] CC[C@H](C)C(=O)Nc1cccc(c1)C[NH2+][C@@H](C)[*:1]
CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccco2)c1 CC[C@H](C)C(=O)N[*:1] C[C@H]([NH2+]Cc1cccc(c1)[*:1])c1ccco1
Cc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2ccccc2)c(Br)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)COC(=O)C(C#N)=C[*:1])c(Br)c1
Cc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2ccccc2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] N#C/C(=C\c1ccccc1)C(=O)OCC(=O)N[*:1]
CC[C@@H]1CCC[C@H]([C@H]([NH3+])c2cccc(OC(C)C)c2)C1 CC(C)[*:1] CC[C@@H]1CCC[C@@H](C1)[C@H]([NH3+])c1cccc(c1)O[*:1]
CC[C@@H]1CCC[C@H]([C@H]([NH3+])c2cccc(OC(C)C)c2)C1 CC(C)O[*:1] CC[C@@H]1CCC[C@@H](C1)[C@H]([NH3+])c1cccc(c1)[*:1]
Cc1ccc(C(=O)NNC(=O)COc2ccccc2C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)C(=O)NNC(=O)COc1ccccc1[*:1]
Cc1ccc(C(=O)NNC(=O)COc2ccccc2C(F)(F)F)o1 Cc1ccc(o1)[*:1] O=C(COc1ccccc1C(F)(F)F)NNC(=O)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C=C3C(=O)[NH+]=c4ccccc4=C3S2)C1 CCOC(=O)[*:1] O=C1[NH+]=c2ccccc2=C2S[C@H](C=C12)C(=O)N1CCC[C@@H](C1)[*:1]
COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2sc(C(C)C)nc2C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](OC)[C@@H](C)NC(=O)c1sc(nc1C)[*:1]
COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2sc(C(C)C)nc2C)cc1 COc1ccc(cc1)[*:1] CO[C@@H]([C@@H](C)NC(=O)c1sc(nc1C)C(C)C)[*:1]
O=C(c1cccc(F)c1)N1C[C@H]2CCCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 Fc1cccc(c1)[*:1] O=C(N1C[C@H]2CCCN([C@H]2C1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)[*:1]
CCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 CCC[*:1] CC1=C(C(=O)O[*:1])[C@H](NC(=O)N1C)c1cc2OCOc2cc1[N+](=O)[O-]
CCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 O=[N+]([O-])[*:1] CCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc2OCOc2cc1[*:1]
CCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 CCCOC(=O)[*:1] CC1=C([C@H](NC(=O)N1C)c1cc2OCOc2cc1[N+](=O)[O-])[*:1]
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(c1)[*:1]
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1ccc(F)c(c1)[N+](=O)[O-]
COc1ccccc1CC(=O)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 COc1ccccc1C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)[*:1]
COc1ccccc1CC(=O)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 CC(=O)N[*:1] COc1ccccc1CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccccc1CC(=O)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 CC(=O)Nc1ccc(cc1)[*:1] COc1ccccc1CC(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
COc1ccccc1CC(=O)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 COc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)C[*:1]
Cc1noc(C)c1S(=O)(=O)NCCNC(=O)c1cccn1C Cn1cccc1[*:1] Cc1noc(C)c1S(=O)(=O)NCCNC(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)NCCNC(=O)c1cccn1C Cc1noc(C)c1[*:1] Cn1cccc1C(=O)NCCNS(=O)(=O)[*:1]
O=c1sc2ccccc2n1CO[C@H](O)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=c1sc2ccccc2n1CO[C@H](O)[*:1]
N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccccn1 c1csc(c1)[*:1] N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)[*:1])c1ccccn1
N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccccn1 c1ccc(cc1)[*:1] N#C[C@@H](C(=O)[C@H](C[*:1])NC(=O)c1cccs1)c1ccccn1
N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccccn1 O=C(N[*:1])c1cccs1 N#C[C@@H](C(=O)[C@H](Cc1ccccc1)[*:1])c1ccccn1
N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccccn1 c1ccc(cc1)C[*:1] N#C[C@@H](C(=O)[C@H](NC(=O)c1cccs1)[*:1])c1ccccn1
N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@@H](C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H](C1CC1)[NH+](C)C c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NC[C@H](C1CC1)[NH+](C)C
C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H](C1CC1)[NH+](C)C C1CC1[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H]([NH+](C)C)[*:1]
CC(C)/C=C/C(=O)N1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 CC(C)[*:1] O=C(NCc1nnc2CCN(CCn21)C(=O)C=C[*:1])c1cccc(F)c1
CC(C)/C=C/C(=O)N1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 CC(C)C=C[*:1] O=C(NCc1nnc2CCN(CCn21)C(=O)[*:1])c1cccc(F)c1
CC(C)/C=C/C(=O)N1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 Fc1cccc(c1)[*:1] CC(C)/C=C/C(=O)N1CCc2nnc(CNC(=O)[*:1])n2CC1
C[NH2+][C@H](c1occc1C)c1ccc(Br)c2ccccc12 Cc1ccoc1[*:1] C[NH2+][C@H](c1ccc(Br)c2ccccc12)[*:1]
C[NH+](C)CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1nc2ccc(F)cc2s1 Fc1ccc(cc1)[*:1] C[NH+](C)CCCN(C(=O)[C@H]1CC(=O)N(C1)[*:1])c1nc2ccc(F)cc2s1
C[NH+](C)CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1nc2ccc(F)cc2s1 Fc1ccc2nc(sc2c1)[*:1] C[NH+](C)CCCN(C(=O)[C@H]1CC(=O)N(C1)c1ccc(F)cc1)[*:1]
CCc1nnc(NC(=O)[C@H](c2ccccc2)N2CCCC2)s1 c1ccc(cc1)[*:1] CCc1nnc(NC(=O)[C@H](N2CCCC2)[*:1])s1
CCc1nnc(NC(=O)[C@H](c2ccccc2)N2CCCC2)s1 CCc1nnc(s1)[*:1] O=C(N[*:1])[C@H](c1ccccc1)N1CCCC1
CCc1nnc(NC(=O)[C@H](c2ccccc2)N2CCCC2)s1 C1CCN(C1)[*:1] CCc1nnc(NC(=O)[C@H](c2ccccc2)[*:1])s1
C[C@@H]1CSCCN1c1ccc(C(F)(F)F)cc1C(=O)[O-] O=C([O-])[*:1] C[C@@H]1CSCCN1c1ccc(cc1[*:1])C(F)(F)F
C[C@@H]1CSCCN1c1ccc(C(F)(F)F)cc1C(=O)[O-] FC(F)(F)[*:1] C[C@@H]1CSCCN1c1ccc(cc1C(=O)[O-])[*:1]
COc1ccc(-n2nc(C(=O)N3CCOC(C)(C)C3)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)N1CCOC(C)(C)C1
CCOc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C)c1 CCO[*:1] Cc1cc(F)ccc1NC(=O)C(=O)N[C@H](C)c1cccc(c1)[*:1]
CCOc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C)c1 Cc1cc(F)ccc1[*:1] CCOc1cccc(c1)[C@@H](C)NC(=O)C(=O)N[*:1]
COC[C@H](C)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C COC[*:1] C[C@H](NC(=O)Nc1cc(ccc1C[NH+](C)C)C(N)=O)[*:1]
COC[C@H](C)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C COC[C@H](C)[*:1] C[NH+](C)Cc1ccc(cc1NC(=O)N[*:1])C(N)=O
COC[C@H](C)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C NC(=O)[*:1] COC[C@H](C)NC(=O)Nc1cc(ccc1C[NH+](C)C)[*:1]
COC[C@H](Nc1ncnc2cccc(C)c12)c1ccc(F)c(F)c1 COC[*:1] Cc1cccc2ncnc(N[C@H](c3ccc(F)c(F)c3)[*:1])c12
COC[C@H](Nc1ncnc2cccc(C)c12)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](Nc1ncnc2cccc(C)c12)[*:1]
C[C@@H](Cc1ccccc1F)NC(=O)NNc1cccc(F)c1F Fc1ccccc1[*:1] C[C@@H](C[*:1])NC(=O)NNc1cccc(F)c1F
CCC[NH2+][C@@H](C)c1ccnc(Oc2cc(C)cc(C)c2)c1 CCC[*:1] Cc1cc(C)cc(c1)Oc1cc(ccn1)[C@H](C)[NH2+][*:1]
C[C@H]([C@H](O)c1ccc(Cl)cc1Cl)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([C@H](O)c1ccc(Cl)cc1Cl)[C@@H](C)[*:1]
Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCc2c1cnn2C[*:1]
Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCc2c1cnn2[*:1]
Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 Cc1ccccc1[*:1] O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)C(=O)N[*:1]
C#CCOc1ccc(/C=C(\Sc2nc(C)n[nH]2)C(=O)[O-])cc1 Cc1n[nH]c(n1)[*:1] C#CCOc1ccc(/C=C(\S[*:1])C(=O)[O-])cc1
C#CCOc1ccc(/C=C(\Sc2nc(C)n[nH]2)C(=O)[O-])cc1 O=C([O-])[*:1] C#CCOc1ccc(/C=C(\Sc2nc(C)n[nH]2)[*:1])cc1
C#CCOc1ccc(/C=C(\Sc2nc(C)n[nH]2)C(=O)[O-])cc1 C#CCO[*:1] Cc1n[nH]c(n1)S/C(=C\c1ccc(cc1)[*:1])C(=O)[O-]
C#CCOc1ccc(/C=C(\Sc2nc(C)n[nH]2)C(=O)[O-])cc1 C#CC[*:1] Cc1n[nH]c(n1)S/C(=C\c1ccc(cc1)O[*:1])C(=O)[O-]
CC(C)S(=O)(=O)Cc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 CC(C)S(=O)(=O)C[*:1] Cn1cc[nH+]c1CC1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)S(=O)(=O)Cc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 CC(C)S(=O)(=O)[*:1] Cn1cc[nH+]c1CC1CCN(CC1)C(=O)Nc1ccc(cc1)C[*:1]
CC(C)S(=O)(=O)Cc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 CC(C)[*:1] Cn1cc[nH+]c1CC1CCN(CC1)C(=O)Nc1ccc(cc1)CS(=O)(=O)[*:1]
C[C@H]([NH2+]CCn1cnnc1C1CC1)c1ccc([S@](C)=O)cc1 C1CC1[*:1] C[C@H]([NH2+]CCn1cnnc1[*:1])c1ccc(cc1)[S@](C)=O
C[C@H]([NH2+]CCn1cnnc1C1CC1)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@H]([NH2+]CCn1cnnc1C1CC1)c1ccc(cc1)[*:1]
CC[NH+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)C(=O)c1ccc(C)c(c1)[*:1]
CCOC(=O)c1c(NC(=O)C2CCCC2)sc(C)c1C C1CCC(C1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc(C)c1C
CCOC(=O)c1c(NC(=O)C2CCCC2)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)C2CCCC2)c(c1C)[*:1]
Cc1c(OC(=O)[C@@H](Cl)c2ccccc2)ccc2c1O/C(=C\c1ccccn1)C2=O c1ccc(nc1)[*:1] Cc1c(ccc2C(=O)C(=C[*:1])Oc21)OC(=O)[C@@H](Cl)c1ccccc1
Cc1c(OC(=O)[C@@H](Cl)c2ccccc2)ccc2c1O/C(=C\c1ccccn1)C2=O c1ccc(cc1)[*:1] Cc1c(ccc2C(=O)/C(=C/c3ccccn3)Oc21)OC(=O)[C@@H](Cl)[*:1]
O=C(NCc1ccco1)Nc1nnc(Cc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] O=C(NCc1ccco1)Nc1nnc(C[*:1])s1
O=C(NCc1ccco1)Nc1nnc(Cc2ccc(F)cc2)s1 c1coc(c1)[*:1] O=C(NC[*:1])Nc1nnc(Cc2ccc(F)cc2)s1
O=C(NCc1ccco1)Nc1nnc(Cc2ccc(F)cc2)s1 c1coc(c1)C[*:1] O=C(Nc1nnc(Cc2ccc(F)cc2)s1)N[*:1]
CC1(C)CC(NC(=O)CCc2ncc(-c3ccccc3)o2)CC(C)(C)[NH2+]1 c1ccc(cc1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)CCc1ncc(o1)[*:1]
Cc1cc([C@H](C)NC(=O)C(=O)Nc2ccccc2SC(F)F)c(C)o1 FC(F)[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)C(=O)Nc1ccccc1S[*:1]
Cc1cc([C@H](C)NC(=O)C(=O)Nc2ccccc2SC(F)F)c(C)o1 FC(F)S[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)C(=O)Nc1ccccc1[*:1]
Cc1cc([C@H](C)NC(=O)C(=O)Nc2ccccc2SC(F)F)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1SC(F)F)[*:1]
OCCOc1ccc(I)cc1 OCC[*:1] Ic1ccc(cc1)O[*:1]
COc1ccc(C(C)(C)C(=O)N2CC[C@H](C(N)=O)c3ccccc32)cc1 COc1ccc(cc1)[*:1] CC(C)(C(=O)N1CC[C@H](C(N)=O)c2ccccc21)[*:1]
COc1ccc(C(C)(C)C(=O)N2CC[C@H](C(N)=O)c3ccccc32)cc1 NC(=O)[*:1] COc1ccc(cc1)C(C)(C)C(=O)N1CC[C@H](c2ccccc21)[*:1]
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@@H]1CCc2ncc([N+](=O)[O-])cc2C1 CC(C)[C@@H](C)N[*:1] Cc1c(cccc1[*:1])C(=O)N[C@@H]1CCc2ncc(cc2C1)[N+](=O)[O-]
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@@H]1CCc2ncc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] Cc1c(cccc1C(=O)N[C@@H]1CCc2ncc(cc2C1)[*:1])N[C@H](C)C(C)C
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@@H]1CCc2ncc([N+](=O)[O-])cc2C1 CC(C)[C@@H](C)[*:1] Cc1c(cccc1C(=O)N[C@@H]1CCc2ncc(cc2C1)[N+](=O)[O-])N[*:1]
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@@H]1CCc2ncc([N+](=O)[O-])cc2C1 CC(C)[*:1] Cc1c(cccc1C(=O)N[C@@H]1CCc2ncc(cc2C1)[N+](=O)[O-])N[C@H](C)[*:1]
COC(=O)c1nn(C[NH+](C)CCc2ccc(F)cc2)c(=O)c2noc(C)c12 Fc1ccc(cc1)C[*:1] COC(=O)c1nn(C[NH+](C)C[*:1])c(=O)c2noc(C)c12
COC(=O)c1nn(C[NH+](C)CCc2ccc(F)cc2)c(=O)c2noc(C)c12 Fc1ccc(cc1)CC[*:1] COC(=O)c1nn(C[NH+](C)[*:1])c(=O)c2noc(C)c12
COC(=O)c1nn(C[NH+](C)CCc2ccc(F)cc2)c(=O)c2noc(C)c12 Fc1ccc(cc1)[*:1] COC(=O)c1nn(C[NH+](C)CC[*:1])c(=O)c2noc(C)c12
COC(=O)c1nn(C[NH+](C)CCc2ccc(F)cc2)c(=O)c2noc(C)c12 COC(=O)[*:1] Cc1onc2c(=O)n(C[NH+](C)CCc3ccc(F)cc3)nc(c12)[*:1]
COc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 O=C(NC1CCCCC1)[*:1] COc1ccc(cc1)CN1C(=O)c2ccccc2C[C@]1(C)[*:1]
COc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)CN1C(=O)c2ccccc2C[C@@]1(C)C(=O)N[*:1]
COc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 COc1ccc(cc1)C[*:1] C[C@]1(Cc2ccccc2C(=O)N1[*:1])C(=O)NC1CCCCC1
COc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 COc1ccc(cc1)[*:1] C[C@]1(Cc2ccccc2C(=O)N1C[*:1])C(=O)NC1CCCCC1
O=C([O-])CN1C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2Cl)C1 O=C([O-])[*:1] O=[N+]([O-])[C@@]12CN(C[C@@](CC=C1Cl)(C2)[N+](=O)[O-])C[*:1]
O=C([O-])CN1C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2Cl)C1 O=[N+]([O-])[*:1] O=C([O-])CN1C[C@]2(C[C@](CC=C2Cl)(C1)[N+](=O)[O-])[*:1]
O=C([O-])CN1C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2Cl)C1 O=[N+]([O-])[*:1] O=C([O-])CN1C[C@]2(C[C@](CC=C2Cl)(C1)[*:1])[N+](=O)[O-]
O=C([O-])CN1C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2Cl)C1 O=C([O-])C[*:1] O=[N+]([O-])[C@@]12CN(C[C@@](CC=C1Cl)(C2)[N+](=O)[O-])[*:1]
CCOc1cc([C@@H]2C(C(=O)C3CC3)=C([O-])C(=O)N2c2ccc3c(c2)OCCO3)ccc1OC O=C(C1CC1)[*:1] CCOc1cc(ccc1OC)[C@@H]1C(=C([O-])C(=O)N1c1ccc2OCCOc2c1)[*:1]
CCOc1cc([C@@H]2C(C(=O)C3CC3)=C([O-])C(=O)N2c2ccc3c(c2)OCCO3)ccc1OC c1cc2OCCOc2cc1[*:1] CCOc1cc(ccc1OC)[C@@H]1C(C(=O)C2CC2)=C([O-])C(=O)N1[*:1]
CCOc1cc([C@@H]2C(C(=O)C3CC3)=C([O-])C(=O)N2c2ccc3c(c2)OCCO3)ccc1OC C1CC1[*:1] CCOc1cc(ccc1OC)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1ccc2OCCOc2c1
CCOc1cc([C@@H]2C(C(=O)C3CC3)=C([O-])C(=O)N2c2ccc3c(c2)OCCO3)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])[C@@H]1C(C(=O)C2CC2)=C([O-])C(=O)N1c1ccc2OCCOc2c1
CCOc1cc([C@@H]2C(C(=O)C3CC3)=C([O-])C(=O)N2c2ccc3c(c2)OCCO3)ccc1OC CCOc1cc(ccc1OC)[*:1] O=C(C1=C([O-])C(=O)N(c2ccc3OCCOc3c2)[C@@H]1[*:1])C1CC1
COc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])[C@@H]1Nc2c(cccc2[C@H]2[C@H]3CC[C@H](C3)[C@H]21)C(=O)[O-]
COc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1[N+](=O)[O-] O=C([O-])[*:1] COc1ccc(cc1[N+](=O)[O-])[C@@H]1Nc2c(cccc2[*:1])[C@H]2[C@H]3CC[C@H](C3)[C@H]21
CO[C@@H](C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CO[C@@H](C)C(=O)O[C@H](C)c1ccc(C)c(c1)[*:1]
CO[C@@H](C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 CO[C@@H](C)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@@H](C)OC(=O)[*:1]
[NH3+]C1(C(=O)N2[C@H]3CCCC[C@H]3CC[C@@H]2C(=O)[O-])CC1 O=C([O-])[*:1] [NH3+]C1(CC1)C(=O)N1[C@H]2CCCC[C@H]2CC[C@H]1[*:1]
Cc1nc(C)c([C@H](C)NC(=O)CCC(=O)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1nc(C)c(s1)[C@H](C)NC(=O)CCC(=O)[*:1]
Cc1nc(C)c([C@H](C)NC(=O)CCC(=O)c2ccc(Cl)cc2)s1 Cc1nc(C)c(s1)[*:1] C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[*:1]
COCCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc(C)c1C COCC[*:1] Cc1nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n(c1C)[*:1]
COCCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc(C)c1C COC[*:1] Cc1nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n(C[*:1])c1C
CC(C)c1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CC(C)c1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC(=O)N(C1)[*:1]
CC(C)c1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC(=O)N(C2CC2)C1 CC(C)[*:1] O=C1C[C@H](CN1C1CC1)[NH2+][C@@H]1CCOc2c1cccc2[*:1]
Cc1cccc(-c2cc(C(=O)N(C)C(C)C)no2)c1 CC(C)[*:1] Cc1cccc(c1)-c1cc(no1)C(=O)N(C)[*:1]
CC[C@@H](C)N(C)C(=O)c1csc(-c2ccc(C)cc2)n1 CC[C@@H](C)[*:1] Cc1ccc(cc1)-c1nc(cs1)C(=O)N(C)[*:1]
CCOc1ccc2nc(N[C@@H](C)c3ccc(C)o3)sc2c1 Cc1ccc(o1)[*:1] CCOc1ccc2nc(N[C@@H](C)[*:1])sc2c1
CCOc1ccc2nc(N[C@@H](C)c3ccc(C)o3)sc2c1 CCO[*:1] Cc1ccc(o1)[C@H](C)Nc1nc2ccc(cc2s1)[*:1]
C[C@@H]1C[C@@H](C)CN(c2oc(COc3ccc(Br)cc3)nc2C#N)C1 Brc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1oc(CO[*:1])nc1C#N
C[C@@H]1C[C@@H](C)CN(c2oc(COc3ccc(Br)cc3)nc2C#N)C1 Brc1ccc(cc1)O[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1oc(C[*:1])nc1C#N
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C(=O)NCc2nc3c(C)cccc3[nH]2)[nH]n1 Cc1cc([nH]n1)[*:1] Cc1cccc2[nH]c(CNC(=O)[*:1])nc12
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 CCN(CC)S(=O)(=O)c1ccc(O)c(c1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2CC2)c1 C1CC1[*:1] CCN(CC)S(=O)(=O)c1ccc(O)c(c1)NC(=O)[*:1]
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCC(O)CC2)cc1 CCO[*:1] O=C(C[NH+]1CCC(O)CC1)Nc1ccccc1C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCC(O)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(O)CC1)Nc1ccccc1C(=O)N[*:1]
CCC[NH+](Cc1cccc(F)c1)CC1CC[NH2+]CC1 CCC[*:1] Fc1cccc(c1)C[NH+](CC1CC[NH2+]CC1)[*:1]
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(Cl)cc2Cl)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)COC(=O)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@H](C=1[*:1])c1ccc(Cl)cc1Cl
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(Cl)cc2Cl)c2c(n(C)c(=O)n(C)c2=O)N1 Clc1ccc(c(Cl)c1)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@@H](C=1C(=O)OCC(C)C)[*:1]
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(Cl)cc2Cl)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)C[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@H](C=1C(=O)O[*:1])c1ccc(Cl)cc1Cl
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(Cl)cc2Cl)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@H](C=1C(=O)OC[*:1])c1ccc(Cl)cc1Cl
c1cnc(N2CCN(CCC[NH2+]Cc3cccc4cccnc34)CC2)nc1 c1cnc(nc1)[*:1] c1cnc2c(cccc2c1)C[NH2+]CCCN1CCN(CC1)[*:1]
COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(N(C)C)c2)C1 CN(C)[*:1] COCCNC(=O)[C@H]1CC[C@H](C)N(C1)C(=O)c1cccc(c1)[*:1]
COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(N(C)C)c2)C1 COCCNC(=O)[*:1] C[C@H]1CC[C@@H](CN1C(=O)c1cccc(c1)N(C)C)[*:1]
COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(N(C)C)c2)C1 COCC[*:1] C[C@H]1CC[C@@H](CN1C(=O)c1cccc(c1)N(C)C)C(=O)N[*:1]
COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(N(C)C)c2)C1 COC[*:1] C[C@H]1CC[C@@H](CN1C(=O)c1cccc(c1)N(C)C)C(=O)NC[*:1]
CC(C)C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl CC(C)[*:1] O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)[*:1]
CC(C)(C#N)c1ccc(NC(=O)c2scnc2C2CC2)cc1 CC(C)(C#N)[*:1] O=C(Nc1ccc(cc1)[*:1])c1scnc1C1CC1
CC(C)(C#N)c1ccc(NC(=O)c2scnc2C2CC2)cc1 C1CC1[*:1] CC(C)(C#N)c1ccc(cc1)NC(=O)c1scnc1[*:1]
CN(C)S(=O)(=O)Nc1ccccc1COc1ccccc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)Nc1ccccc1CO[*:1]
CN(C)S(=O)(=O)Nc1ccccc1COc1ccccc1 c1ccc(cc1)O[*:1] CN(C)S(=O)(=O)Nc1ccccc1C[*:1]
CN(C)S(=O)(=O)Nc1ccccc1COc1ccccc1 CN(C)S(=O)(=O)N[*:1] c1ccc(cc1)OCc1ccccc1[*:1]
O=c1c(C(F)(F)F)cccn1CCc1ccc([N+](=O)[O-])cc1 FC(F)(F)[*:1] O=c1c(cccn1CCc1ccc(cc1)[N+](=O)[O-])[*:1]
O=c1c(C(F)(F)F)cccn1CCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=c1c(cccn1CCc1ccc(cc1)[*:1])C(F)(F)F
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)C2)n1 Clc1ccc(O[*:1])c(Cl)c1 Cc1cccc(n1)NC(=O)[C@H]1CCCN(C1)C(=O)[C@H](C)[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)C2)n1 Cc1cccc(n1)[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)C2)n1 Clc1ccc(c(Cl)c1)[*:1] Cc1cccc(n1)NC(=O)[C@H]1CCCN(C1)C(=O)[C@H](C)O[*:1]
COc1cccc2cc([C@@H](C)NC(=O)CC(C)C)oc12 CC(C)C[*:1] COc1cccc2cc(oc12)[C@@H](C)NC(=O)[*:1]
COc1cccc2cc([C@@H](C)NC(=O)CC(C)C)oc12 CC(C)[*:1] COc1cccc2cc(oc12)[C@@H](C)NC(=O)C[*:1]
Cc1nc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n(C2CCCC2)c1C C1CCC(C1)[*:1] Cc1nc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n(c1C)[*:1]
COc1ccc(C2=NN[C@@H](c3cccs3)C2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)C1C[C@H](NN=1)[*:1]
CC(=O)NC(C)(C)c1noc(CCc2nc3ccccc3s2)n1 CC(=O)N[*:1] CC(C)(c1noc(CCc2nc3ccccc3s2)n1)[*:1]
CC(=O)NC(C)(C)c1noc(CCc2nc3ccccc3s2)n1 CC(=O)NC(C)(C)[*:1] c1ccc2sc(CCc3nc(no3)[*:1])nc2c1
Nc1nonc1C(=O)N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12 Nc1nonc1[*:1] O=C(N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)[*:1]
Nc1nonc1C(=O)N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12 Clc1cccc(c1)C[*:1] Nc1nonc1C(=O)N/N=C/c1cn(c2ccccc12)[*:1]
Nc1nonc1C(=O)N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12 Clc1cccc(c1)[*:1] Nc1nonc1C(=O)N/N=C/c1cn(C[*:1])c2ccccc12
O=C(Nc1ccc(-n2ccnc2)cc1)c1cc2sccc2n1C1CCCC1 c1cn(cn1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2sccc2n1C1CCCC1
O=C(Nc1ccc(-n2ccnc2)cc1)c1cc2sccc2n1C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1ccc(cc1)-n1ccnc1)c1cc2sccc2n1[*:1]
COc1ccccc1[C@H]1CNC(=[NH2+])N1c1cccc(Br)c1 Brc1cccc(c1)[*:1] COc1ccccc1[C@H]1CNC(=[NH2+])N1[*:1]
COc1cccc2c(C)cc(S[C@H](C)C(=O)Nc3ccc(C(=O)[O-])cc3)nc12 O=C([O-])c1ccc(cc1)[*:1] COc1cccc2c(C)cc(nc12)S[C@H](C)C(=O)N[*:1]
COc1cccc2c(C)cc(S[C@H](C)C(=O)Nc3ccc(C(=O)[O-])cc3)nc12 O=C([O-])[*:1] COc1cccc2c(C)cc(nc12)S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1c([C@H](C)NC(=O)c2cc3c(ccc4ccccc43)[nH]2)cnn1C Cc1c(cnn1C)[*:1] C[C@H](NC(=O)c1cc2c(ccc3ccccc32)[nH]1)[*:1]
O=C1[C@H](c2ccccc2)S/C(=N\S(=O)(=O)c2cccs2)N1c1ccccc1 c1csc(c1)[*:1] O=C1[C@@H](S/C(=N\S(=O)(=O)[*:1])N1c1ccccc1)c1ccccc1
O=C1[C@H](c2ccccc2)S/C(=N\S(=O)(=O)c2cccs2)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](S/C(=N\S(=O)(=O)c2cccs2)N1[*:1])c1ccccc1
O=C1[C@H](c2ccccc2)S/C(=N\S(=O)(=O)c2cccs2)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](S/C(=N\S(=O)(=O)c2cccs2)N1c1ccccc1)[*:1]
O=C(c1ccnc(OC2CCC2)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 C1CC(C1)[*:1] O=C(c1ccnc(c1)O[*:1])N1CC[C@@H](C1)Oc1cc[nH+]cc1
O=C(c1ccnc(OC2CCC2)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 C1CC(C1)O[*:1] O=C(c1ccnc(c1)[*:1])N1CC[C@@H](C1)Oc1cc[nH+]cc1
Cc1cncc(NC(=O)c2ccc([S@@](C)=O)cc2)c1 C[S@@](=O)[*:1] Cc1cncc(c1)NC(=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CSc1nc2ccccc2o1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H](NC(=O)CSc1nc2ccccc2o1)[*:1]
CCCc1nc2ccc(CCC(=O)Nc3cccc(SC)c3)cc2[nH]1 CSc1cccc(c1)[*:1] CCCc1nc2ccc(cc2[nH]1)CCC(=O)N[*:1]
CCCc1nc2ccc(CCC(=O)Nc3cccc(SC)c3)cc2[nH]1 CCC[*:1] CSc1cccc(c1)NC(=O)CCc1ccc2nc([nH]c2c1)[*:1]
CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 CCOC(=O)[*:1] O=C1NC(CN2CC[NH+](CC2)C2CCCCC2)=C([C@H](N1)c1cccc(F)c1)[*:1]
CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCOC(=O)C1=C(CN2CC[NH+](CC2)C2CCCCC2)NC(=O)N[C@H]1[*:1]
CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1C Cc1ccccc1[*:1] CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)[*:1]
CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1C Clc1ccc(cc1)[*:1] CNC(=O)C(=C[*:1])NC(=O)c1ccccc1C
CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1C CNC(=O)[*:1] Cc1ccccc1C(=O)N/C(=C/c1ccc(Cl)cc1)[*:1]
CCn1ccc(C(=O)Nc2cccc(NC(C)=O)c2)n1 CC(=O)N[*:1] CCn1ccc(n1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C CC(C)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@H](C[*:1])[NH+](C)C
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C CC(C)C[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
CCNc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] CCNc1cc(ccc1Cl)[*:1]
CCNc1cc(C(F)(F)F)ccc1Cl CCN[*:1] FC(F)(F)c1ccc(Cl)c(c1)[*:1]
COc1cc(OC)cc([C@H](Br)[C@H](C)c2ccncc2)c1 c1cc(ccn1)[*:1] COc1cc(cc(c1)[C@H](Br)[C@H](C)[*:1])OC
C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccccc1OC(C)(C)C CC(C)(C)O[*:1] C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccccc1[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccccc1OC(C)(C)C CS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)NCc1ccccc1OC(C)(C)C
C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccccc1OC(C)(C)C CC(C)(C)[*:1] C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccccc1O[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccccc1OC(C)(C)C CS(=O)(=O)C[*:1] C[C@H](NC(=O)NCc1ccccc1OC(C)(C)C)[*:1]
CN(CC(C)(C)C(=O)NN)C1CC[NH+](C)CC1 NNC(=O)[*:1] CN(CC(C)(C)[*:1])C1CC[NH+](C)CC1
C[C@H]([NH2+]Cc1ccnc2[nH]ccc12)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@H]([NH2+]Cc1ccnc2[nH]ccc12)c1ccc(cc1)[*:1]
C[C@H]([NH2+]Cc1ccnc2[nH]ccc12)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@H]([NH2+]Cc1ccnc2[nH]ccc12)c1ccc(cc1)NC(=O)[*:1]
COC(=O)c1ccccc1N(C)C(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O COC(=O)[*:1] C[C@@H](C(=O)N(C)c1ccccc1[*:1])N1C(=O)c2ccccc2S1(=O)=O
COc1cc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc(OC)c1 c1coc(c1)[*:1] COc1cc(cc(c1)OC)NC(=O)CSc1ccc(nn1)[*:1]
CCCN1CCO[C@H](c2nc(C)cc(C[C@@H](C)[NH3+])n2)C1 CCC[*:1] Cc1cc(C[C@@H](C)[NH3+])nc(n1)[C@@H]1CN(CCO1)[*:1]
C=CCNC(=S)NNC(=O)/C=C/c1ccco1 C=CC[*:1] O=C(/C=C/c1ccco1)NNC(=S)N[*:1]
C=CCNC(=S)NNC(=O)/C=C/c1ccco1 c1coc(c1)[*:1] C=CCNC(=S)NNC(=O)C=C[*:1]
COc1ccc(Br)cc1/C=C/C=O O=CC=C[*:1] COc1ccc(Br)cc1[*:1]
CCOc1ccccc1N1C[C@H](C(=O)OC2CCCCC2)CC1=O CCO[*:1] O=C(OC1CCCCC1)[C@@H]1CC(=O)N(C1)c1ccccc1[*:1]
CCOc1ccccc1N1C[C@H](C(=O)OC2CCCCC2)CC1=O C1CCC(CC1)[*:1] CCOc1ccccc1N1C[C@@H](CC1=O)C(=O)O[*:1]
COc1cc2c(cc1OC)CN(C(=O)CN(C)S(=O)(=O)c1c(C)noc1C)CC2 Cc1noc(C)c1[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CN(C)S(=O)(=O)[*:1]
CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)Nc1ccc2c(c1)COC2 CC(C)[*:1] C[C@H]1CC[C@H](N(CC1)C(=O)Nc1ccc2COCc2c1)[*:1]
O=C(/C=C/c1ccco1)N1CCC[C@H](c2nc3ccccc3o2)C1 c1coc(c1)[*:1] O=C(C=C[*:1])N1CCC[C@@H](C1)c1nc2ccccc2o1
O=C(/C=C/c1ccco1)N1CCC[C@H](c2nc3ccccc3o2)C1 C(=C[*:1])c1ccco1 O=C(N1CCC[C@@H](C1)c1nc2ccccc2o1)[*:1]
C[C@@H](NC(=O)COc1ccccc1C(F)(F)F)C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)COc1ccccc1C(F)(F)F)[*:1]
C[C@@H](NC(=O)COc1ccccc1C(F)(F)F)C(N)=O FC(F)(F)[*:1] C[C@@H](NC(=O)COc1ccccc1[*:1])C(N)=O
C[C@@H](NC(=O)COc1ccccc1C(F)(F)F)C(N)=O C[C@@H](C(N)=O)[*:1] O=C(COc1ccccc1C(F)(F)F)N[*:1]
NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2cccc(F)c2)C1 NC(=O)[*:1] O=C(Cc1cccc(F)c1)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C1)[*:1]
NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)C[*:1])Cc1ccccc1-c1cccnc1
NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2cccc(F)c2)C1 Fc1cccc(c1)C[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)[*:1])Cc1ccccc1-c1cccnc1
NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2cccc(F)c2)C1 c1cncc(c1)[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)Cc1cccc(F)c1)Cc1ccccc1[*:1]
c1ccc(Cn2nnnc2CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 c1ccc(cc1)[*:1] c1cc2OCOc2cc1C[NH+]1CCN(CC1)Cc1nnnn1C[*:1]
c1ccc(Cn2nnnc2CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 c1cc2OCOc2cc1[*:1] c1ccc(cc1)Cn1nnnc1CN1CC[NH+](CC1)C[*:1]
c1ccc(Cn2nnnc2CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 c1ccc(cc1)C[*:1] c1cc2OCOc2cc1C[NH+]1CCN(CC1)Cc1nnnn1[*:1]
Cc1ccc([C@H](C)NC(=O)NCCCn2nc3n(c2=O)CCCC3)o1 Cc1ccc(o1)[C@H](C)[*:1] O=C(NCCCn1nc2CCCCn2c1=O)N[*:1]
Cc1ccc([C@H](C)NC(=O)NCCCn2nc3n(c2=O)CCCC3)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)NCCCn1nc2CCCCn2c1=O)[*:1]
CC1(C)CC(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC(C)(C)[NH2+]1 O[C@@H](c1ccccc1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)N1CCC[C@@H]1C[*:1]
CC1(C)CC(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC(C)(C)[NH2+]1 O[C@H](C[*:1])c1ccccc1 CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)N1CCC[C@H]1[*:1]
CC1(C)CC(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC(C)(C)[NH2+]1 c1ccc(cc1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)N1CCC[C@@H]1C[C@@H](O)[*:1]
C[C@H](CCCO)NC(=O)c1cccnc1 OCC[*:1] C[C@H](C[*:1])NC(=O)c1cccnc1
C[C@H](CCCO)NC(=O)c1cccnc1 OCCC[*:1] C[C@H](NC(=O)c1cccnc1)[*:1]
C#CCOc1ccccc1CN1CCO[C@@H]2CCCC[C@@H]21 C#CC[*:1] c1ccc(O[*:1])c(c1)CN1CCO[C@@H]2CCCC[C@@H]21
C#CCOc1ccccc1CN1CCO[C@@H]2CCCC[C@@H]21 C#CCO[*:1] c1ccc(c(c1)CN1CCO[C@@H]2CCCC[C@@H]21)[*:1]
C[NH2+][C@H]1CCN(c2cc(C(F)(F)F)ccc2F)[C@@H](C)[C@@H]1C FC(F)(F)[*:1] C[NH2+][C@H]1CCN(c2cc(ccc2F)[*:1])[C@@H](C)[C@@H]1C
CN(CCc1ccc(F)cc1)C(=O)/C=C/c1ccccc1 Fc1ccc(cc1)[*:1] CN(CC[*:1])C(=O)/C=C/c1ccccc1
CN(CCc1ccc(F)cc1)C(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CN(CCc1ccc(F)cc1)C(=O)C=C[*:1]
CC(C)[C@](C)(C#N)NS(=O)(=O)/C=C/c1ccccc1Cl CC(C)[*:1] C[C@](C#N)(NS(=O)(=O)/C=C/c1ccccc1Cl)[*:1]
C[C@@H](Sc1ccc(O)cc1)C(=O)Nc1cc(Cl)ccc1Cl Oc1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1cc(Cl)ccc1Cl
S=C(NCc1ccco1)N1CCC(c2nc3ccccc3s2)CC1 c1coc(c1)C[*:1] S=C(N[*:1])N1CCC(CC1)c1nc2ccccc2s1
S=C(NCc1ccco1)N1CCC(c2nc3ccccc3s2)CC1 c1coc(c1)[*:1] S=C(NC[*:1])N1CCC(CC1)c1nc2ccccc2s1
CC(C)N(C)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 CC(C)[*:1] C[C@@H](C(=O)N(C)[*:1])c1ccc(Cl)c(Cl)c1
Cc1cccc(OCC[NH+](C)CCCO)c1 OCC[*:1] Cc1cccc(c1)OCC[NH+](C)C[*:1]
Cc1cccc(OCC[NH+](C)CCCO)c1 OCCC[*:1] Cc1cccc(c1)OCC[NH+](C)[*:1]
CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(-c2nc[nH]n2)cc1 c1nc(n[nH]1)[*:1] CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(cc1)[*:1]
CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(-c2nc[nH]n2)cc1 CCN(CC)C(=O)[*:1] [NH3+][C@H]1C[C@H](N(C1)C(=O)c1ccc(cc1)-c1nc[nH]n1)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Cl)cc1 CC[C@@H](C)[*:1] C[C@H]([NH2+]Cc1ccc(Cl)cc1)C(=O)N[*:1]
C#CCCN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 C#CCC[*:1] O=C(Nc1cccc(c1)C(=O)N1CCN(CC1)[*:1])[C@H]1CCCO1
C#CCCN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 C#CC[*:1] O=C(Nc1cccc(c1)C(=O)N1CCN(CC1)C[*:1])[C@H]1CCCO1
C#CCCN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 O=C(N[*:1])[C@H]1CCCO1 C#CCCN1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 Cc1ccc(cc1Cl)[*:1] CCc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1cccc(C(=O)OCCCc2cccnc2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)C(=O)OCCC[*:1]
Cc1ccccc1-n1nc2c(c1NC(=O)Cc1ccc(F)cc1)C[S@@](=O)C2 Fc1ccc(cc1)[*:1] Cc1ccccc1-n1nc2C[S@](=O)Cc2c1NC(=O)C[*:1]
Cc1ccccc1-n1nc2c(c1NC(=O)Cc1ccc(F)cc1)C[S@@](=O)C2 Cc1ccccc1[*:1] O=C(Cc1ccc(F)cc1)Nc1c2C[S@@](=O)Cc2nn1[*:1]
Cc1ccccc1-n1nc2c(c1NC(=O)Cc1ccc(F)cc1)C[S@@](=O)C2 Fc1ccc(cc1)C[*:1] Cc1ccccc1-n1nc2C[S@](=O)Cc2c1NC(=O)[*:1]
CC(C)Oc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 Clc1ccc(o1)[*:1] CC(C)Oc1cccc(c1)C[NH2+]C[*:1]
CC(C)Oc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 CC(C)[*:1] Clc1ccc(C[NH2+]Cc2cccc(c2)O[*:1])o1
CC(C)Oc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 CC(C)O[*:1] Clc1ccc(C[NH2+]Cc2cccc(c2)[*:1])o1
CN(CCOc1ccccc1)C(=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)c1ccc(F)cc1
O=C1CN=C(c2ccc(Cl)cc2)c2c(sc3c2CCCC3)N1 Clc1ccc(cc1)[*:1] O=C1CN=C(c2c(N1)sc1CCCCc12)[*:1]
CCCCNC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O O[C@H]1CCC[C@@H]1[*:1] CCCCNC(=O)N1CCC[C@H]1[*:1]
CCCCNC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O CCC[*:1] O=C(NC[*:1])N1CCC[C@@H]1[C@H]1CCC[C@@H]1O
CCCCNC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O CCCC[*:1] O=C(N[*:1])N1CCC[C@@H]1[C@H]1CCC[C@@H]1O
CCC[C@@H]1C[C@H]1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O CCC[*:1] O=C(Cn1cnc2c(oc3ccccc32)c1=O)N[C@@H]1C[C@H]1[*:1]
Cc1ccc(-c2ccc(CCC(=O)Nc3cccc(F)c3)o2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)-c1ccc(CCC(=O)N[*:1])o1
Cc1ccc(-c2ccc(CCC(=O)Nc3cccc(F)c3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1ccc(o1)[*:1])Nc1cccc(F)c1
Cc1cccc(C(C)C)c1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 CC(C)[*:1] Cc1cccc(c1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] Cc1cccc(c1NC(=O)N(CC[NH+](C)C)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1NC(=O)N(CC[NH+](C)C)C[*:1])C(C)C
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(C)nn32)cc1 O=C(Nc1ccccc1)[*:1] COc1ccc(cc1)[C@@H]1C(=C(C)Nc2nc(C)nn21)[*:1]
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(C)nn32)cc1 COc1ccc(cc1)[*:1] CC1Nc2nc(C)nn2[C@@H](C=1C(=O)Nc1ccccc1)[*:1]
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(C)nn32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)N[*:1])=C(C)Nc2nc(C)nn21
Cc1cc(C)n(-c2ccccc2NC(=O)CCc2c[nH]c3ccccc23)n1 Cc1cc(C)n(n1)[*:1] O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)CCc2c[nH]c3ccccc23)n1 c1ccc2c(c[nH]c2c1)[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)CC[*:1]
N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)C1CCCCC1 C1CCC(CC1)[*:1] N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)[*:1]
Cc1ccc(-n2cnnc2SC[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1Cl Cc1ccc(cc1Cl)[*:1] C[C@@H]1CN(C[C@H](O)CSc2nncn2[*:1])C[C@@H](C)O1
COCC[NH2+]CC(=O)N[C@H]1CCC[C@H]1C#N COCC[*:1] N#C[C@@H]1CCC[C@@H]1NC(=O)C[NH2+][*:1]
COCC[NH2+]CC(=O)N[C@H]1CCC[C@H]1C#N COC[*:1] N#C[C@@H]1CCC[C@@H]1NC(=O)C[NH2+]C[*:1]
O=C(COc1cccc2ccccc12)NNC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COc1cccc2ccccc12)NNC(=O)[*:1]
NC(=O)c1ccccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 NC(=O)[*:1] O=C(Cn1ccc2cc(ccc21)[N+](=O)[O-])Nc1ccccc1[*:1]
NC(=O)c1ccccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] NC(=O)c1ccccc1NC(=O)Cn1ccc2cc(ccc21)[*:1]
O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3c[nH]cn3)CC1)C2=O c1ccc(cc1)[*:1] O=C1NC2(CCN(CC2)C(=O)[*:1])C(=O)N1C1CC[NH+](CC1)Cc1c[nH]cn1
O=C1CCc2cc(OCC[NH+]3CCC(OCc4ccccc4F)CC3)ccc2N1 Fc1ccccc1[*:1] O=C1CCc2cc(ccc2N1)OCC[NH+]1CCC(CC1)OC[*:1]
O=C1CCc2cc(OCC[NH+]3CCC(OCc4ccccc4F)CC3)ccc2N1 Fc1ccccc1CO[*:1] O=C1CCc2cc(ccc2N1)OCC[NH+]1CCC(CC1)[*:1]
O=C1CCc2cc(OCC[NH+]3CCC(OCc4ccccc4F)CC3)ccc2N1 Fc1ccccc1C[*:1] O=C1CCc2cc(ccc2N1)OCC[NH+]1CCC(CC1)O[*:1]
Cc1ccc2c(c1)[C@H]([NH2+]CCNS(=O)(=O)c1ccn(C)c1)CCCO2 Cn1ccc(c1)[*:1] Cc1ccc2OCCC[C@@H]([NH2+]CCNS(=O)(=O)[*:1])c2c1
O=[N+]([O-])c1cc(Cl)c(Cl)cc1NC1CC([O-])C1 [O-]C1CC(C1)[*:1] O=[N+]([O-])c1cc(Cl)c(Cl)cc1N[*:1]
O=[N+]([O-])c1cc(Cl)c(Cl)cc1NC1CC([O-])C1 O=[N+]([O-])[*:1] [O-]C1CC(C1)Nc1cc(Cl)c(Cl)cc1[*:1]
O=Cc1sc(N2CCCCC2)nc1-c1cccs1 C1CCN(CC1)[*:1] O=Cc1sc(nc1-c1cccs1)[*:1]
O=Cc1sc(N2CCCCC2)nc1-c1cccs1 c1csc(c1)[*:1] O=Cc1sc(nc1[*:1])N1CCCCC1
Cc1c(CC(=O)NC[C@H]2CCCOC2)c2c(n1Cc1ccccc1)CCCC2=O c1ccc(cc1)C[*:1] Cc1c(CC(=O)NC[C@H]2CCCOC2)c2C(=O)CCCc2n1[*:1]
Cc1c(CC(=O)NC[C@H]2CCCOC2)c2c(n1Cc1ccccc1)CCCC2=O c1ccc(cc1)[*:1] Cc1c(CC(=O)NC[C@H]2CCCOC2)c2C(=O)CCCc2n1C[*:1]
CC(=O)Nc1ccc(C(=S)NCc2ccco2)cc1 c1coc(c1)[*:1] CC(=O)Nc1ccc(cc1)C(=S)NC[*:1]
CC(=O)Nc1ccc(C(=S)NCc2ccco2)cc1 CC(=O)N[*:1] S=C(NCc1ccco1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=S)NCc2ccco2)cc1 c1coc(c1)C[*:1] CC(=O)Nc1ccc(cc1)C(=S)N[*:1]
COCCCNC(=O)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 COCCC[*:1] O=C(N[*:1])c1cccc(c1)-c1cnc(nc1)N1CCCCC1
COCCCNC(=O)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 COCC[*:1] O=C(NC[*:1])c1cccc(c1)-c1cnc(nc1)N1CCCCC1
COCCCNC(=O)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 C1CCN(CC1)[*:1] COCCCNC(=O)c1cccc(c1)-c1cnc(nc1)[*:1]
COCCCNC(=O)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 COC[*:1] O=C(NCC[*:1])c1cccc(c1)-c1cnc(nc1)N1CCCCC1
COCCCNC(=O)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 COCCCNC(=O)[*:1] c1cc(cc(c1)[*:1])-c1cnc(nc1)N1CCCCC1
O=C(Nc1ccccc1N1CCCC1)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=C(Nc1ccccc1N1CCCC1)c1cccc(c1)[*:1]
O=C(Nc1ccccc1N1CCCC1)c1cccc(-n2cnnn2)c1 C1CCN(C1)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)-n1cnnn1
C[NH2+][C@H](CC(=O)[O-])c1cccc(C2CC2)c1 C1CC1[*:1] C[NH2+][C@H](CC(=O)[O-])c1cccc(c1)[*:1]
C[NH2+][C@H](CC(=O)[O-])c1cccc(C2CC2)c1 O=C([O-])[*:1] C[NH2+][C@H](C[*:1])c1cccc(c1)C1CC1
CCNC(=O)CN1CCN([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 CCNC(=O)[*:1] O=C1[C@@H](CCN1c1c(F)cccc1F)N1CCN(CC1)C[*:1]
CCNC(=O)CN1CCN([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 Fc1cccc(F)c1[*:1] CCNC(=O)CN1CCN(CC1)[C@@H]1CCN(C1=O)[*:1]
CCNC(=O)CN1CCN([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 CCNC(=O)C[*:1] O=C1[C@@H](CCN1c1c(F)cccc1F)N1CCN(CC1)[*:1]
COC(=O)CCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 COC(=O)CC[*:1] O=C(Nc1cc(Cl)ccc1N1CCCCC1)[*:1]
COC(=O)CCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 COC(=O)C[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1N1CCCCC1
COC(=O)CCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 C1CCN(CC1)[*:1] COC(=O)CCC(=O)Nc1cc(Cl)ccc1[*:1]
COC(=O)CCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 COC(=O)[*:1] O=C(CC[*:1])Nc1cc(Cl)ccc1N1CCCCC1
Cc1cccc2c(C(=O)N(C)C(C)C)cc(-c3cnc(-c4cccnc4)nc3)nc12 CC(C)[*:1] Cc1cccc2c(cc(nc12)-c1cnc(nc1)-c1cccnc1)C(=O)N(C)[*:1]
Cc1cccc2c(C(=O)N(C)C(C)C)cc(-c3cnc(-c4cccnc4)nc3)nc12 CC(C)N(C)C(=O)[*:1] Cc1cccc2c(cc(nc12)-c1cnc(nc1)-c1cccnc1)[*:1]
Cc1cccc2c(C(=O)N(C)C(C)C)cc(-c3cnc(-c4cccnc4)nc3)nc12 c1cncc(c1)[*:1] Cc1cccc2c(cc(nc12)-c1cnc(nc1)[*:1])C(=O)N(C)C(C)C
CCN(C)C(=O)c1ccc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nc1 c1ccc2[nH]c(nc2c1)[*:1] CCN(C)C(=O)c1ccc(nc1)N1CCC[C@H](C1)[*:1]
CCN(C)C(=O)c1ccc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nc1 CCN(C)C(=O)[*:1] c1ccc2[nH]c(nc2c1)[C@H]1CCCN(C1)c1ccc(cn1)[*:1]
O=S(=O)(N[C@@H](c1ccc2c(c1)CCC2)c1cccs1)c1ccc2c(c1)OCCO2 c1csc(c1)[*:1] O=S(=O)(N[C@@H](c1ccc2CCCc2c1)[*:1])c1ccc2OCCOc2c1
O=S(=O)(N[C@@H](c1ccc2c(c1)CCC2)c1cccs1)c1ccc2c(c1)OCCO2 c1cc2CCCc2cc1[*:1] O=S(=O)(N[C@@H](c1cccs1)[*:1])c1ccc2OCCOc2c1
CC[C@@H](C)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 CC[C@@H](C)[*:1] O=C(N1CCN(CC1)C1=NS(=O)(=O)c2ccccc21)[*:1]
CO[C@@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@H]1[C@](C)(COC(C)=O)CCC[C@]31C CC(=O)O[*:1] CO[C@@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H]([C@H]1[C@@](C)(CCC[C@]31C)COC(C)=O)[*:1]
CO[C@@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@H]1[C@](C)(COC(C)=O)CCC[C@]31C CC(=O)O[*:1] CO[C@@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@H]1[C@@](C)(CCC[C@]31C)C[*:1]
CO[C@@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@H]1[C@](C)(COC(C)=O)CCC[C@]31C CC(=O)OC[*:1] CO[C@@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(C)=O)[C@@H]1[C@]3(C)CCC[C@]1(C)[*:1]
CCOc1ccc(-c2n[nH]cc2C=O)cc1Cl CCO[*:1] O=Cc1c[nH]nc1-c1ccc(c(Cl)c1)[*:1]
O=C(/C=C/c1ccnc2ccccc12)c1cccs1 c1csc(c1)[*:1] O=C(/C=C/c1ccnc2ccccc12)[*:1]
CN1CCc2c(C#N)c(SCc3ccc(Cl)c(Cl)c3)nc(N3CCCC3)c2C1 Clc1ccc(cc1Cl)C[*:1] CN1CCc2c(C#N)c(nc(c2C1)N1CCCC1)S[*:1]
CN1CCc2c(C#N)c(SCc3ccc(Cl)c(Cl)c3)nc(N3CCCC3)c2C1 C1CCN(C1)[*:1] CN1CCc2c(C#N)c(nc(c2C1)[*:1])SCc1ccc(Cl)c(Cl)c1
CN1CCc2c(C#N)c(SCc3ccc(Cl)c(Cl)c3)nc(N3CCCC3)c2C1 Clc1ccc(cc1Cl)[*:1] CN1CCc2c(C#N)c(nc(c2C1)N1CCCC1)SC[*:1]
CCCc1noc([C@H](C(=O)OCC)c2ccccc2Br)n1 Brc1ccccc1[*:1] CCCc1noc(n1)[C@H](C(=O)OCC)[*:1]
CCCc1noc([C@H](C(=O)OCC)c2ccccc2Br)n1 CCC[*:1] CCOC(=O)[C@@H](c1nc(no1)[*:1])c1ccccc1Br
CCCc1noc([C@H](C(=O)OCC)c2ccccc2Br)n1 CCOC(=O)[*:1] CCCc1noc(n1)[C@H](c1ccccc1Br)[*:1]
COc1cc(CN(C)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1O O=[N+]([O-])[*:1] COc1cc(CN(C)[C@@H](C)c2cccc(O)c2)c(cc1O)[*:1]
COc1cc(CN(C)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1O Oc1cccc(c1)[*:1] COc1cc(CN(C)[C@@H](C)[*:1])c(cc1O)[N+](=O)[O-]
CCOCC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 CCOC[*:1] O=C(NNC(=O)[*:1])[C@H]1C[C@@H]1c1ccccc1
CCOCC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOCC(=O)NNC(=O)[C@H]1C[C@H]1[*:1]
CCOCC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 CCO[*:1] O=C(C[*:1])NNC(=O)[C@H]1C[C@@H]1c1ccccc1
CN1N=C(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CCC1=O CS(=O)(=O)NC[*:1] CN1N=C(CCC1=O)C(=O)N1CCCC[C@@H]1[*:1]
CN1N=C(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CCC1=O CS(=O)(=O)N[*:1] CN1N=C(CCC1=O)C(=O)N1CCCC[C@H]1C[*:1]
COc1cc([N+](=O)[O-])ccc1OCC(=O)c1c[nH]c2ccccc12 O=[N+]([O-])[*:1] COc1cc(ccc1OCC(=O)c1c[nH]c2ccccc12)[*:1]
Cc1ccoc1C[NH2+][C@@H]1CCCn2c(C)nnc21 Cc1ccoc1[*:1] Cc1nnc2[C@@H](CCCn12)[NH2+]C[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccc3nnnn3c2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc2nnnn2c1)[C@H](O)[*:1]
CO[C@@H](CNC(=O)N[C@H]1CCc2ccccc21)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)N[C@H]1CCc2ccccc21)[*:1]
Cc1cc(C)cc(-n2c(-c3ccccc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 Cc1cc(C)cc(c1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc1n(c(cn21)-c1ccccc1)[*:1]
Cc1cc(C)cc(-n2c(-c3ccccc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)-n1c(cn2c3c(=O)[nH]c(=O)n(C)c3nc12)[*:1]
C=C(C)CN(CC)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 C=C(C)C[*:1] CCN(C(=O)NCc1ccc(cc1)CN1C[C@@H](C)O[C@H](C)C1)[*:1]
C=C(C)CN(CC)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 C=C(C)[*:1] CCN(C[*:1])C(=O)NCc1ccc(cc1)CN1C[C@@H](C)O[C@H](C)C1
Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1ccco1)C3 c1coc(c1)[*:1] Cc1nn2c3C[C@H](CC(=O)c3cnc2c1-c1ccc(F)cc1)[*:1]
Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1ccco1)C3 Fc1ccc(cc1)[*:1] Cc1nn2c3C[C@@H](CC(=O)c3cnc2c1[*:1])c1ccco1
CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C[C@@H]1[NH+](C)C CC(C)[*:1] CC[C@@H]1CN(C[C@@H]1[NH+](C)C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)N(C)CCc1cccs1 c1csc(c1)C[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N(C)C[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)N(C)CCc1cccs1 c1csc(c1)CC[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N(C)[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)N(C)CCc1cccs1 Fc1cccc(c1)[*:1] C[C@@H](CC[*:1])C(=O)N(C)CCc1cccs1
C[C@@H](CCc1cccc(F)c1)C(=O)N(C)CCc1cccs1 c1csc(c1)[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N(C)CC[*:1]
C[C@@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@@H](N[C@H](c1ccccc1)[*:1])C1CCOCC1
C[C@@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)[*:1]
C[C@@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CCOCC1 c1ccc(cc1)[*:1] C[C@@H](N[C@H](C(=O)N1CCOCC1)[*:1])C1CCOCC1
CCC(=O)c1ccc(OC[C@H](O)CN2CCO[C@H](C)C2)cc1 C[C@@H]1CN(CCO1)[*:1] CCC(=O)c1ccc(cc1)OC[C@H](O)C[*:1]
CCC(=O)c1ccc(OC[C@H](O)CN2CCO[C@H](C)C2)cc1 CCC(=O)[*:1] C[C@@H]1CN(CCO1)C[C@@H](O)COc1ccc(cc1)[*:1]
COc1cccc(CN2CCC[C@@H]2c2nncn2C)c1OC(F)F FC(F)[*:1] COc1cccc(CN2CCC[C@@H]2c2nncn2C)c1O[*:1]
COc1cccc(CN2CCC[C@@H]2c2nncn2C)c1OC(F)F Cn1cnnc1[*:1] COc1cccc(CN2CCC[C@H]2[*:1])c1OC(F)F
COc1cccc(CN2CCC[C@@H]2c2nncn2C)c1OC(F)F FC(F)O[*:1] COc1cccc(CN2CCC[C@@H]2c2nncn2C)c1[*:1]
Cc1onc(-c2ccncc2)c1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 c1cc(ccn1)[*:1] Cc1onc(c1C(=O)Nc1cccc(c1)C(=O)N1CCOCC1)[*:1]
Cc1onc(-c2ccncc2)c1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 O=C(N1CCOCC1)[*:1] Cc1onc(-c2ccncc2)c1C(=O)Nc1cccc(c1)[*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H]([NH+]2CCC(C)(C)CC2)C1 CC(C)[NH2+][*:1] CC1(C)CC[NH+](CC1)[C@H]1CC[C@](C1)(C(=O)[O-])[*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H]([NH+]2CCC(C)(C)CC2)C1 O=C([O-])[*:1] CC(C)[NH2+][C@@]1(CC[C@@H](C1)[NH+]1CCC(C)(C)CC1)[*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H]([NH+]2CCC(C)(C)CC2)C1 CC(C)[*:1] CC1(C)CC[NH+](CC1)[C@H]1CC[C@](C1)([NH2+][*:1])C(=O)[O-]
COc1ccc(CNC(=O)C[C@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 COc1ccc(cc1)C[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)[C@@H](C)CC(=O)N[*:1]
COc1ccc(CNC(=O)C[C@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 COc1ccc(cc1)[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)[C@@H](C)CC(=O)NC[*:1]
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Sc2ccccn2)cc1 CC(=O)N[*:1] O=S(=O)([N-]c1cccc(Cl)c1Sc1ccccn1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Sc2ccccn2)cc1 c1ccc(nc1)S[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)[N-]c1cccc(Cl)c1[*:1]
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Sc2ccccn2)cc1 c1ccc(nc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)[N-]c1cccc(Cl)c1S[*:1]
Cc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2C)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC(=S)Nc1cc(ccc1C)[*:1]
Cc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=S)N[*:1])C(F)(F)F
CNC(=O)c1cccc(OC(=O)c2cnc3ccc(C)cn23)c1 CNC(=O)[*:1] Cc1ccc2ncc(C(=O)Oc3cccc(c3)[*:1])n2c1
COC(=O)c1cc(NC(=O)Cc2ccc3c(c2)OCO3)c(F)cc1F COC(=O)[*:1] O=C(Cc1ccc2OCOc2c1)Nc1cc(c(F)cc1F)[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 O=c1[nH]nc(c2ccccc12)[*:1] O=C(C[*:1])NCc1cn(nc1-c1ccc(F)cc1)-c1ccccc1
O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cn(nc1-c1ccc(F)cc1)[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cn(nc1[*:1])-c1ccccc1
CCSCC[C@@H](C)NC(=O)C(=O)Nc1c(C)ccn(C)c1=O CCSC[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H](C)C[*:1]
CCSCC[C@@H](C)NC(=O)C(=O)Nc1c(C)ccn(C)c1=O CCSCC[C@@H](C)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[*:1]
CCSCC[C@@H](C)NC(=O)C(=O)Nc1c(C)ccn(C)c1=O CCSCC[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H](C)[*:1]
CCSCC[C@@H](C)NC(=O)C(=O)Nc1c(C)ccn(C)c1=O CCS[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H](C)CC[*:1]
C[C@@H](C(=O)N[C@H](C)c1ccc(Br)cc1)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)N[C@H](C)c1ccc(Br)cc1)[*:1]
CCO[C@H](C)c1noc(C[S@@](=O)Cc2c(C)cc(C)cc2C)n1 CCO[*:1] Cc1cc(C)c(C[S@](=O)Cc2nc(no2)[C@@H](C)[*:1])c(C)c1
CCO[C@H](C)c1noc(C[S@@](=O)Cc2c(C)cc(C)cc2C)n1 CCO[C@H](C)[*:1] Cc1cc(C)c(C[S@](=O)Cc2nc(no2)[*:1])c(C)c1
O=C(C[S@@](=O)Cc1ccccc1)N1CCN(C(=O)C2CC2)CC1 c1ccc(cc1)[*:1] O=C(C[S@@](=O)C[*:1])N1CCN(CC1)C(=O)C1CC1
O=C(C[S@@](=O)Cc1ccccc1)N1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(C[S@@](=O)Cc1ccccc1)N1CCN(CC1)C(=O)[*:1]
O=C(C[S@@](=O)Cc1ccccc1)N1CCN(C(=O)C2CC2)CC1 c1ccc(cc1)C[*:1] O=C(C[S@@](=O)[*:1])N1CCN(CC1)C(=O)C1CC1
O=C(C[S@@](=O)Cc1ncn(-c2ccccc2)n1)N(C1CCCC1)C1CC1 C1CCC(C1)[*:1] O=C(C[S@@](=O)Cc1ncn(n1)-c1ccccc1)N(C1CC1)[*:1]
O=C(C[S@@](=O)Cc1ncn(-c2ccccc2)n1)N(C1CCCC1)C1CC1 C1CC1[*:1] O=C(C[S@@](=O)Cc1ncn(n1)-c1ccccc1)N(C1CCCC1)[*:1]
O=C(C[S@@](=O)Cc1ncn(-c2ccccc2)n1)N(C1CCCC1)C1CC1 c1ccc(cc1)[*:1] O=C(C[S@@](=O)Cc1ncn(n1)[*:1])N(C1CCCC1)C1CC1
C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC1(CO)COC1 OCC1(COC1)[*:1] C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[*:1]
CC[C@@H](NC(=O)NCc1ccc(Cn2ccnc2)cc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)NCc1ccc(cc1)Cn1ccnc1)[*:1]
CC[C@@H](NC(=O)NCc1ccc(Cn2ccnc2)cc1)c1ccc(C)cc1 c1cn(cn1)C[*:1] CC[C@@H](NC(=O)NCc1ccc(cc1)[*:1])c1ccc(C)cc1
CC[C@@H](NC(=O)NCc1ccc(Cn2ccnc2)cc1)c1ccc(C)cc1 c1cn(cn1)[*:1] CC[C@@H](NC(=O)NCc1ccc(cc1)C[*:1])c1ccc(C)cc1
C[C@@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)[NH+](C)C c1ccc(cc1)C[*:1] C[C@@H](CNC(=O)c1ccc(=O)n(n1)[*:1])[NH+](C)C
C[C@@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)[NH+](C)C c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1ccc(=O)n(C[*:1])n1)[NH+](C)C
C[C@@H]1CCN(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)[C@H](C)C1 FC(F)(F)[*:1] C[C@@H]1CCN(C(=O)c2cc3nc4-c5ccccc5CCc4c(n3n2)[*:1])[C@H](C)C1
O=C(NCc1ccc(-n2cccn2)cc1)c1n[nH]c(=O)[nH]1 O=c1[nH]nc([nH]1)[*:1] O=C(NCc1ccc(cc1)-n1cccn1)[*:1]
O=C(NCc1ccc(-n2cccn2)cc1)c1n[nH]c(=O)[nH]1 c1cnn(c1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1n[nH]c(=O)[nH]1
O=S(=O)([O-])c1ccc2[nH]c(=S)[nH]c2c1 O=S(=O)([O-])[*:1] S=c1[nH]c2ccc(cc2[nH]1)[*:1]
Cn1c(CCNC(=O)C[C@@H]2CCCO2)nc2ccccc21 C1CO[C@@H](C1)C[*:1] Cn1c(CCNC(=O)[*:1])nc2ccccc21
Cn1c(CCNC(=O)C[C@@H]2CCCO2)nc2ccccc21 C1CO[C@@H](C1)[*:1] Cn1c(CCNC(=O)C[*:1])nc2ccccc21
Cc1nc(C)c(CC(=O)N[C@@H](C)CCc2ccccc2)c(=O)[nH]1 c1ccc(cc1)C[*:1] Cc1nc(C)c(CC(=O)N[C@@H](C)C[*:1])c(=O)[nH]1
Cc1nc(C)c(CC(=O)N[C@@H](C)CCc2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1nc(C)c(CC(=O)N[C@@H](C)CC[*:1])c(=O)[nH]1
COc1cccc([C@H]2CC(c3ccc(C)cc3)=Nc3ncnn32)c1OC Cc1ccc(cc1)[*:1] COc1cccc(c1OC)[C@H]1CC(=Nc2ncnn21)[*:1]
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3CCCN3C(=O)c3cccs3)C2=O)cc1 c1csc(c1)[*:1] COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3CCCN3C(=O)[*:1])C2=O)cc1
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3CCCN3C(=O)c3cccs3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C(NCCN1C(=O)SC(=C[*:1])C1=O)[C@@H]1CCCN1C(=O)c1cccs1
N#Cc1cccc(C(=O)N2CCN(c3cnccn3)CC2)c1 c1cnc(cn1)[*:1] N#Cc1cccc(c1)C(=O)N1CCN(CC1)[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@@H](C)c2ccc(F)cc2F)s1 Fc1ccc(c(F)c1)[*:1] Cc1nc(C)c(s1)[C@@H](C)N(C)C(=O)NC[C@@H](C)[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@@H](C)c2ccc(F)cc2F)s1 Cc1nc(C)c(s1)[*:1] C[C@H](CNC(=O)N(C)[C@H](C)[*:1])c1ccc(F)cc1F
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 O=C([O-])[*:1] O=C(NC(=S)Nc1cc(ccc1Cl)[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 O=[N+]([O-])[*:1] O=C([O-])c1ccc(Cl)c(c1)NC(=S)NC(=O)c1cc(ccc1Cl)[*:1]
CCC(=O)c1ccn(CCCC(=O)OC)c1 COC(=O)C[*:1] CCC(=O)c1ccn(c1)CC[*:1]
CCC(=O)c1ccn(CCCC(=O)OC)c1 COC(=O)[*:1] CCC(=O)c1ccn(c1)CCC[*:1]
CCC(=O)c1ccn(CCCC(=O)OC)c1 CCC(=O)[*:1] COC(=O)CCCn1ccc(c1)[*:1]
CCn1nccc1C(=O)Nc1nnc(-c2cccc(Br)c2)o1 Brc1cccc(c1)[*:1] CCn1nccc1C(=O)Nc1nnc(o1)[*:1]
CCn1nccc1C(=O)Nc1nnc(-c2cccc(Br)c2)o1 CCn1nccc1[*:1] O=C(Nc1nnc(o1)-c1cccc(Br)c1)[*:1]
CC(C)N1C[C@H](C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)CC1=O CC(C)[*:1] NC(=O)c1cc2cc(F)ccc2nc1[C@H]1CCCN(C1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)N1C[C@H](C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)CC1=O NC(=O)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N1CCC[C@@H](C1)c1nc2ccc(F)cc2cc1[*:1]
C[C@H](NC(=O)C(C)(C)c1cccc(F)c1)c1ccc(-c2cncnc2)cc1 Fc1cccc(c1)[*:1] C[C@H](NC(=O)C(C)(C)[*:1])c1ccc(cc1)-c1cncnc1
C[C@H](NC(=O)C(C)(C)c1cccc(F)c1)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H](NC(=O)C(C)(C)c1cccc(F)c1)c1ccc(cc1)[*:1]
CC[C@H](C)N(C)C(=O)c1scnc1C CC[C@H](C)[*:1] Cc1ncsc1C(=O)N(C)[*:1]
COC(=O)N1CC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] COC(=O)N1CC[C@@H](C1)Nc1ccc(C)cc1[*:1]
COc1cc(CC[NH2+]C2CCN(c3nccs3)CC2)ccc1O c1csc(n1)[*:1] COc1cc(ccc1O)CC[NH2+]C1CCN(CC1)[*:1]
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COCc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H]1CC[C@@H](CN1C(=O)COC[*:1])C(N)=O
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COCc1ccccc1Cl NC(=O)[*:1] C[C@@H]1CC[C@H](CN1C(=O)COCc1ccccc1Cl)[*:1]
CC(C)COCCNC(=O)c1cc(F)c(Cl)cc1Cl CC(C)[*:1] O=C(NCCOC[*:1])c1cc(F)c(Cl)cc1Cl
CC(C)COCCNC(=O)c1cc(F)c(Cl)cc1Cl CC(C)COC[*:1] O=C(NC[*:1])c1cc(F)c(Cl)cc1Cl
CC(C)COCCNC(=O)c1cc(F)c(Cl)cc1Cl CC(C)CO[*:1] O=C(NCC[*:1])c1cc(F)c(Cl)cc1Cl
CC(C)COCCNC(=O)c1cc(F)c(Cl)cc1Cl CC(C)C[*:1] O=C(NCCO[*:1])c1cc(F)c(Cl)cc1Cl
CSCC(=O)NNC(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2 Cc1ccc(cc1)[*:1] CSCC(=O)NNC(=O)c1nn(c2CCCCc12)[*:1]
CSCC(=O)NNC(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2 CSC[*:1] Cc1ccc(cc1)-n1nc(C(=O)NNC(=O)[*:1])c2CCCCc21
CNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] CNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1[*:1]
CNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 CNC(=O)NC(=O)[*:1] C[C@H](Sc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1)[*:1]
CNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 Clc1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@H](C)Sc1ncc(n1Cc1ccccc1)[*:1]
CNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)n1C[*:1]
COc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1 COc1ccc(cc1)[*:1] O=C(NN=C[*:1])c1cc(n[nH]1)-c1cccc2ccccc12
Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CN(C(=O)CNC(=O)c1cccs1)[*:1])NC1CCCC1
Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)c1 O=C(NC[*:1])c1cccs1 Cc1cc(C)cc(c1)N(CC(=O)NC1CCCC1)C(=O)[*:1]
Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)c1 c1csc(c1)[*:1] Cc1cc(C)cc(c1)N(CC(=O)NC1CCCC1)C(=O)CNC(=O)[*:1]
Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)c1 O=C(NC1CCCC1)[*:1] Cc1cc(C)cc(c1)N(C[*:1])C(=O)CNC(=O)c1cccs1
Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)c1 C1CCC(C1)[*:1] Cc1cc(C)cc(c1)N(CC(=O)N[*:1])C(=O)CNC(=O)c1cccs1
Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 Cc1cc(C)cc(c1)N(CC(=O)NC1CCCC1)C(=O)C[*:1]
Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)c1 O=C(C[*:1])NC1CCCC1 Cc1cc(C)cc(c1)N(C(=O)CNC(=O)c1cccs1)[*:1]
COc1cccc([C@H]2CCCN2C(=O)[C@@H](C)CSC)c1 CSC[C@H](C)[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)[*:1]
COc1cccc([C@H]2CCCN2C(=O)[C@@H](C)CSC)c1 CSC[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)[C@@H](C)[*:1]
CCc1nn(C)cc1C[NH2+]CC(=O)NCC(F)(F)F FC(F)(F)[*:1] CCc1nn(C)cc1C[NH2+]CC(=O)NC[*:1]
CCc1nn(C)cc1C[NH2+]CC(=O)NCC(F)(F)F FC(F)(F)C[*:1] CCc1nn(C)cc1C[NH2+]CC(=O)N[*:1]
CC[C@@H](CCO)NC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C CC[C@@H](CCO)[*:1] Cc1cc(ccc1NC(=O)N[*:1])C(=O)N1CCCC[C@H]1C
CC[C@@H](CCO)NC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C OCC[*:1] CC[C@@H](NC(=O)Nc1ccc(cc1C)C(=O)N1CCCC[C@H]1C)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2ccc(OC3CCCC3)cc2)n1 C1CCC(C1)O[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2ccc(cc2)[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2ccc(OC3CCCC3)cc2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNC(=O)Nc1ccc(cc1)OC1CCCC1)C[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2ccc(OC3CCCC3)cc2)n1 C1CCC(C1)[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2ccc(cc2)O[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2ccc(OC3CCCC3)cc2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](CNC(=O)Nc1ccc(cc1)OC1CCCC1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)C(=O)[C@@H]1Cc2cc(F)ccc2O1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 COC(=O)C(C)(C)[*:1] O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](C1)[*:1]
COc1ccc(Br)cc1/C=C/C(=O)Nc1nc(C)cs1 Cc1csc(n1)[*:1] COc1ccc(Br)cc1/C=C/C(=O)N[*:1]
O=C(NCCn1cccc1)c1ccc(-n2cccn2)cc1 c1ccn(c1)C[*:1] O=C(NC[*:1])c1ccc(cc1)-n1cccn1
O=C(NCCn1cccc1)c1ccc(-n2cccn2)cc1 c1ccn(c1)CC[*:1] O=C(N[*:1])c1ccc(cc1)-n1cccn1
O=C(NCCn1cccc1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=C(NCCn1cccc1)c1ccc(cc1)[*:1]
O=C(NCCn1cccc1)c1ccc(-n2cccn2)cc1 c1ccn(c1)[*:1] O=C(NCC[*:1])c1ccc(cc1)-n1cccn1
COC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(OC)cc3)c2c1 COC(=O)[*:1] COc1ccc(cc1)C(=O)Nc1cc(C)nc2ccc(cc12)[*:1]
COC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(OC)cc3)c2c1 COc1ccc(cc1)[*:1] COC(=O)c1ccc2nc(C)cc(NC(=O)[*:1])c2c1
Cc1ccc(C(=O)[C@H](C)Sc2nc(C)c(C)n2C2CCCC2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(S[C@@H](C)C(=O)[*:1])n(c1C)C1CCCC1
Cc1ccc(C(=O)[C@H](C)Sc2nc(C)c(C)n2C2CCCC2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)C(=O)[C@H](C)Sc1nc(C)c(C)n1[*:1]
Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2n[nH]c(=O)[nH]2)cc1 O=c1[nH]nc([nH]1)[*:1] Cc1ccc(cc1)[C@@H]1[C@H](C)CCCN1C[*:1]
Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2n[nH]c(=O)[nH]2)cc1 O=c1[nH]nc(C[*:1])[nH]1 Cc1ccc(cc1)[C@@H]1[C@H](C)CCCN1[*:1]
Cc1ccc([C@@H]2[C@H](C)CCCN2Cc2n[nH]c(=O)[nH]2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@@H]1[*:1]
COc1ccc(OC)c([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 COc1ccc(OC)c(c1)[*:1] CC1CCN(CC1)c1nc2NC(=O)[C@H](C#N)[C@@H](c2c(=O)[nH]1)[*:1]
COc1ccc(OC)c([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 CC1CCN(CC1)[*:1] COc1ccc(OC)c(c1)[C@@H]1c2c(nc([nH]c2=O)[*:1])NC(=O)[C@@H]1C#N
CCOC(=O)C[C@H](C)[C@H]1CCCN(C(=O)c2ncccc2C(F)(F)F)C1 CCOC(=O)C[*:1] C[C@H]([C@H]1CCCN(C1)C(=O)c1ncccc1C(F)(F)F)[*:1]
CCOC(=O)C[C@H](C)[C@H]1CCCN(C(=O)c2ncccc2C(F)(F)F)C1 CCOC(=O)C[C@H](C)[*:1] O=C(c1ncccc1C(F)(F)F)N1CCC[C@@H](C1)[*:1]
CCOC(=O)C[C@H](C)[C@H]1CCCN(C(=O)c2ncccc2C(F)(F)F)C1 FC(F)(F)[*:1] CCOC(=O)C[C@H](C)[C@H]1CCCN(C1)C(=O)c1ncccc1[*:1]
CCOC(=O)C[C@H](C)[C@H]1CCCN(C(=O)c2ncccc2C(F)(F)F)C1 CCOC(=O)[*:1] C[C@@H](C[*:1])[C@H]1CCCN(C1)C(=O)c1ncccc1C(F)(F)F
CC[C@H](O)c1ccn(CCc2ccc3c(c2)CCO3)c1 CC[C@H](O)[*:1] c1cc2OCCc2cc1CCn1ccc(c1)[*:1]
CNC(=O)NCC(=O)N1CCC[C@H]1c1cccc(Br)c1 CNC(=O)N[*:1] O=C(C[*:1])N1CCC[C@H]1c1cccc(Br)c1
CNC(=O)NCC(=O)N1CCC[C@H]1c1cccc(Br)c1 CNC(=O)NC[*:1] O=C(N1CCC[C@H]1c1cccc(Br)c1)[*:1]
NS(=O)(=O)c1ccc(CNc2ncnc3sc(-c4ccccc4)cc23)cc1 NS(=O)(=O)[*:1] c1ccc(cc1)-c1cc2c(ncnc2s1)NCc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(CNc2ncnc3sc(-c4ccccc4)cc23)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)CNc1ncnc2sc(cc12)[*:1]
COc1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)c1 COc1cccc(c1)[*:1] Cc1cc(C)cc(c1)N(CC(=O)N[*:1])S(=O)(=O)c1c(C)nn(C)c1C
COc1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)c1 Cc1cc(C)cc(c1)[*:1] COc1cccc(c1)NC(=O)CN(S(=O)(=O)c1c(C)nn(C)c1C)[*:1]
COc1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)c1 Cc1nn(C)c(C)c1[*:1] COc1cccc(c1)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)[*:1]
CC(C)[C@@H](O)CCNC(=O)NCc1ccc2ccccc2c1 CC(C)[*:1] O=C(NCC[C@H](O)[*:1])NCc1ccc2ccccc2c1
COc1cccc2sc(NCC(=O)c3ccc([N+](=O)[O-])cc3)nc12 O=[N+]([O-])[*:1] COc1cccc2sc(nc12)NCC(=O)c1ccc(cc1)[*:1]
O=C(Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21)N[C@@H]1CCCc2ccccc21 O=S(=O)(N1CCCC1)[*:1] O=C(Cn1c(=O)ccc2cc(ccc21)[*:1])N[C@@H]1CCCc2ccccc21
CSc1cccc(NC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)c1 CSc1cccc(c1)[*:1] CN(CC(=O)Nc1cccc(Cl)c1)C(=O)N[*:1]
CSc1cccc(NC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CSc1cccc(c1)NC(=O)N(C)CC(=O)N[*:1]
CN(CCNS(C)(=O)=O)c1ncccn1 CS(=O)(=O)N[*:1] CN(CC[*:1])c1ncccn1
CC(C)(C)OC(=O)NCc1ccc(CC[NH3+])cc1 [NH3+]CC[*:1] CC(C)(C)OC(=O)NCc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)NCc1ccc(CC[NH3+])cc1 CC(C)(C)[*:1] [NH3+]CCc1ccc(cc1)CNC(=O)O[*:1]
Cc1occc1C(=O)NCC(=O)NCCOc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1occc1C(=O)NCC(=O)NCCO[*:1]
Cc1occc1C(=O)NCC(=O)NCCOc1ccc(C#N)cc1 Cc1occc1[*:1] N#Cc1ccc(cc1)OCCNC(=O)CNC(=O)[*:1]
N#Cc1nc(N2CCC(OC[C@H]3CCCO3)CC2)ccc1Cl C1CO[C@H](C1)C[*:1] N#Cc1nc(ccc1Cl)N1CCC(CC1)O[*:1]
N#Cc1nc(N2CCC(OC[C@H]3CCCO3)CC2)ccc1Cl C1CO[C@H](C1)[*:1] N#Cc1nc(ccc1Cl)N1CCC(CC1)OC[*:1]
N#Cc1nc(N2CCC(OC[C@H]3CCCO3)CC2)ccc1Cl C1CO[C@H](C1)CO[*:1] N#Cc1nc(ccc1Cl)N1CCC(CC1)[*:1]
Cc1cc(S(N)(=O)=O)cc(NC(=O)CCCC2CCCC2)c1C C1CCC(C1)[*:1] Cc1cc(cc(NC(=O)CCC[*:1])c1C)S(N)(=O)=O
Cc1cc(S(N)(=O)=O)cc(NC(=O)CCCC2CCCC2)c1C NS(=O)(=O)[*:1] Cc1cc(cc(NC(=O)CCCC2CCCC2)c1C)[*:1]
Cc1cc(S(N)(=O)=O)cc(NC(=O)CCCC2CCCC2)c1C C1CCC(C1)CC[*:1] Cc1cc(cc(NC(=O)C[*:1])c1C)S(N)(=O)=O
Cc1cc(S(N)(=O)=O)cc(NC(=O)CCCC2CCCC2)c1C C1CCC(C1)C[*:1] Cc1cc(cc(NC(=O)CC[*:1])c1C)S(N)(=O)=O
CCN(Cc1ccccc1)C(=O)CN1CCC(=O)Nc2cc(F)ccc21 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CN1CCC(=O)Nc2cc(F)ccc21
CCN(Cc1ccccc1)C(=O)CN1CCC(=O)Nc2cc(F)ccc21 c1ccc(cc1)C[*:1] CCN(C(=O)CN1CCC(=O)Nc2cc(F)ccc21)[*:1]
Cc1ccc(COc2ccc(CN3CCOC4(CCOCC4)C3)cc2)cc1 Cc1ccc(cc1)[*:1] c1cc(ccc1CN1CCOC2(CCOCC2)C1)OC[*:1]
Cc1ccc(COc2ccc(CN3CCOC4(CCOCC4)C3)cc2)cc1 Cc1ccc(cc1)C[*:1] c1cc(ccc1CN1CCOC2(CCOCC2)C1)O[*:1]
Cc1ccc(COc2ccc(CN3CCOC4(CCOCC4)C3)cc2)cc1 Cc1ccc(cc1)CO[*:1] c1cc(ccc1CN1CCOC2(CCOCC2)C1)[*:1]
Cc1cccc(-n2c(C)nnc2SCc2nc(-c3cccs3)no2)c1 c1csc(c1)[*:1] Cc1cccc(c1)-n1c(C)nnc1SCc1nc(no1)[*:1]
Cc1cccc(-n2c(C)nnc2SCc2nc(-c3cccs3)no2)c1 Cc1cccc(c1)[*:1] Cc1nnc(SCc2nc(no2)-c2cccs2)n1[*:1]
O=S(=O)(c1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)ccc2c1)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] Clc1cccc(c1)N1CCN(CC1)c1ccc2cc(ccc2n1)[*:1]
O=S(=O)(c1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)ccc2c1)N1CCCC1 Clc1cccc(c1)[*:1] O=S(=O)(c1ccc2nc(ccc2c1)N1CCN(CC1)[*:1])N1CCCC1
CCN(CC)C(=O)c1cccc(NC(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)c1 CCN(CC)C(=O)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)Nc2cccc(c2)[*:1])C1(C)C
CCCCCNS(=O)(=O)c1ccc(N2C(=O)CCCC2=O)cc1 CCCC[*:1] O=C1CCCC(=O)N1c1ccc(cc1)S(=O)(=O)NC[*:1]
CCCCCNS(=O)(=O)c1ccc(N2C(=O)CCCC2=O)cc1 CCCCC[*:1] O=C1CCCC(=O)N1c1ccc(cc1)S(=O)(=O)N[*:1]
CCCCCNS(=O)(=O)c1ccc(N2C(=O)CCCC2=O)cc1 CCC[*:1] O=C1CCCC(=O)N1c1ccc(cc1)S(=O)(=O)NCC[*:1]
O=c1[nH]c2ccccc2c(=O)n1CCN1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=c1[nH]c2ccccc2c(=O)n1CCN1CCN(CC1)[*:1]
Cc1ccc2c(c1)N(C(=O)Cn1cnc3c(-c4ccc(F)cc4)nsc3c1=O)CCO2 Fc1ccc(cc1)[*:1] Cc1ccc2OCCN(C(=O)Cn3cnc4c(nsc4c3=O)[*:1])c2c1
COc1nc(C)cc(=O)n1CCC[NH2+]C(C)C CC(C)[*:1] COc1nc(C)cc(=O)n1CCC[NH2+][*:1]
Cc1cc(CS(=O)(=O)[C@@H](C)CC(=O)[O-])c2ccccc2n1 O=C([O-])[*:1] Cc1cc(CS(=O)(=O)[C@@H](C)C[*:1])c2ccccc2n1
C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)N[*:1]
C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C)c1ccc(F)cc1 Fc1ccccc1[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nnc(n1C)[*:1])c1ccc(F)cc1
C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C)[*:1]
COc1ccc(NC(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2C)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1nc(ncc1C(=O)N[*:1])NCc1ccc2OCOc2c1
COc1ccc(NC(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2C)cc1Cl c1cc2OCOc2cc1[*:1] COc1ccc(cc1Cl)NC(=O)c1cnc(nc1C)NC[*:1]
COc1ccc(NC(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2C)cc1Cl c1cc2OCOc2cc1C[*:1] COc1ccc(cc1Cl)NC(=O)c1cnc(nc1C)N[*:1]
O=C1N[C@@H](C(=O)Nc2cc(F)ccc2OCC(F)(F)F)CS1 FC(F)(F)CO[*:1] O=C1N[C@H](CS1)C(=O)Nc1cc(F)ccc1[*:1]
O=C1N[C@@H](C(=O)Nc2cc(F)ccc2OCC(F)(F)F)CS1 FC(F)(F)C[*:1] O=C1N[C@H](CS1)C(=O)Nc1cc(F)ccc1O[*:1]
O=C1N[C@@H](C(=O)Nc2cc(F)ccc2OCC(F)(F)F)CS1 FC(F)(F)[*:1] O=C1N[C@H](CS1)C(=O)Nc1cc(F)ccc1OC[*:1]
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NCc1ccncc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1NC(=O)N[*:1])C(=O)NCC(F)(F)F
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NCc1ccncc1 FC(F)(F)C[*:1] Cc1ccc(cc1NC(=O)NCc1ccncc1)C(=O)N[*:1]
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NCc1ccncc1 FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)NCc1ccncc1)C(=O)NC[*:1]
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NCc1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])C(=O)NCC(F)(F)F
Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)NCc1ccncc1 O=C(NCC(F)(F)F)[*:1] Cc1ccc(cc1NC(=O)NCc1ccncc1)[*:1]
Cn1cc(C(=O)N2CCCCC2)c(-c2ccc3c(c2)OCCCO3)n1 O=C(N1CCCCC1)[*:1] Cn1cc(c(n1)-c1ccc2OCCCOc2c1)[*:1]
CCc1cc(CNC(=O)N2CC[C@@H](OCCC(C)C)C2)on1 CC(C)[*:1] CCc1cc(CNC(=O)N2CC[C@H](C2)OCC[*:1])on1
CCc1cc(CNC(=O)N2CC[C@@H](OCCC(C)C)C2)on1 CCc1cc(on1)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)NC[*:1]
CCc1cc(CNC(=O)N2CC[C@@H](OCCC(C)C)C2)on1 CC(C)C[*:1] CCc1cc(CNC(=O)N2CC[C@H](C2)OC[*:1])on1
CCc1cc(CNC(=O)N2CC[C@@H](OCCC(C)C)C2)on1 CC(C)CC[*:1] CCc1cc(CNC(=O)N2CC[C@H](C2)O[*:1])on1
CCc1cc(CNC(=O)N2CC[C@@H](OCCC(C)C)C2)on1 CC(C)CCO[*:1] CCc1cc(CNC(=O)N2CC[C@@H](C2)[*:1])on1
CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)[S@](C)=O C[S@](=O)[*:1] CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)[*:1]
CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)[S@](C)=O CC(C)[*:1] C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1[*:1])[S@](C)=O
CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)[S@](C)=O C[C@@H]([S@](C)=O)[*:1] CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[*:1]
Cc1ccc(S[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 NC(=O)[*:1] Cc1ccc(cc1)S[C@H](C)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(S[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)N1CCC[C@H](C1)C(N)=O
COC(=O)Cn1cnc(NC(=O)c2cc(C)c(Br)cc2C)n1 COC(=O)[*:1] Cc1cc(C(=O)Nc2ncn(C[*:1])n2)c(C)cc1Br
COC(=O)Cn1cnc(NC(=O)c2cc(C)c(Br)cc2C)n1 COC(=O)C[*:1] Cc1cc(C(=O)Nc2ncn(n2)[*:1])c(C)cc1Br
C#CCN(CC(=O)N(Cc1ccc(C)o1)C1CC1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] Cc1ccc(CN(C(=O)CN([C@H]2CCS(=O)(=O)C2)[*:1])C2CC2)o1
C#CCN(CC(=O)N(Cc1ccc(C)o1)C1CC1)[C@H]1CCS(=O)(=O)C1 Cc1ccc(C[*:1])o1 C#CCN(CC(=O)N(C1CC1)[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(CC(=O)N(Cc1ccc(C)o1)C1CC1)[C@H]1CCS(=O)(=O)C1 Cc1ccc(o1)[*:1] C#CCN(CC(=O)N(C[*:1])C1CC1)[C@H]1CCS(=O)(=O)C1
C#CCN(CC(=O)N(Cc1ccc(C)o1)C1CC1)[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] C#CCN(CC(=O)N(Cc1ccc(C)o1)[*:1])[C@H]1CCS(=O)(=O)C1
CC/[NH+]=C(\NCc1ccc(O)c(F)c1)NCc1ccnn1C Cn1nccc1[*:1] CC/[NH+]=C(\NCc1ccc(O)c(F)c1)NC[*:1]
CC/[NH+]=C(\NCc1ccc(O)c(F)c1)NCc1ccnn1C Cn1nccc1C[*:1] CC/[NH+]=C(\NCc1ccc(O)c(F)c1)N[*:1]
COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1OC c1cc2OCCOc2cc1[*:1] COc1ccc(cc1OC)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1OC COc1ccc(cc1OC)[*:1] O=C1C[C@H](CN1c1ccc2OCCOc2c1)C(=O)N1CCC[C@H]1[*:1]
CC(C)C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CC(C)C[*:1] O=C([C@@H](N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
CC(C)C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O FC(F)(F)[*:1] CC(C)C[C@@H](C(=O)N1CCN(CC1)c1cccc(c1)[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
CC(C)C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CC(C)[*:1] O=C([C@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
CC(C)C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O FC(F)(F)c1cccc(c1)[*:1] CC(C)C[C@@H](C(=O)N1CCN(CC1)[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1c2cccn2CC(=O)N1Cc1cccs1 c1csc(c1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1c2cccn2CC(=O)N1C[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1c2cccn2CC(=O)N1Cc1cccs1 c1csc(c1)C[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1c2cccn2CC(=O)N1[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1c2cccn2CC(=O)N1Cc1cccs1 C[C@H]1CCCC[C@H]1[*:1] O=C(N[*:1])[C@@H]1c2cccn2CC(=O)N1Cc1cccs1
Cc1ccc(-c2nc(COc3ccc(Cl)cc3C)n[nH]2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(Cl)ccc1OCc1n[nH]c(n1)[*:1]
C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N[C@@H]1CCCC[C@H]1C c1csc(c1)[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)N[C@@H]1CCCC[C@H]1C
C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N[C@@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@H]1[*:1] C[C@@H](Sc1nc(n[nH]1)-c1cccs1)C(=O)N[*:1]
O=S(=O)(/N=C(\[O-])[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=S(=O)(/N=C(\[O-])[C@@H]1CCCC[C@@H]1C(F)(F)F)[*:1]
O=S(=O)(/N=C(\[O-])[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(Cl)s1 FC(F)(F)[*:1] O=S(=O)(/N=C(\[O-])[C@@H]1CCCC[C@H]1[*:1])c1ccc(Cl)s1
Cc1ccccc1-c1nnc(CSc2ncc[nH]2)o1 c1c[nH]c(n1)[*:1] Cc1ccccc1-c1nnc(CS[*:1])o1
Cc1ccccc1-c1nnc(CSc2ncc[nH]2)o1 c1c[nH]c(n1)S[*:1] Cc1ccccc1-c1nnc(C[*:1])o1
CCc1nnsc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 CCc1nnsc1[*:1] O=C(N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
CCc1nnsc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] CCc1nnsc1C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
CCc1nnsc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCc1nnsc1C(=O)N1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
CC(=O)NCCNC(=O)N[C@H](C)c1ccc(C)o1 CC(=O)N[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)NCC[*:1]
CC(=O)NCCNC(=O)N[C@H](C)c1ccc(C)o1 CC(=O)NCC[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N[*:1]
CC(=O)NCCNC(=O)N[C@H](C)c1ccc(C)o1 Cc1ccc(o1)[*:1] CC(=O)NCCNC(=O)N[C@H](C)[*:1]
CC(=O)NCCNC(=O)N[C@H](C)c1ccc(C)o1 CC(=O)NC[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)NC[*:1]
O=C(COc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl FC(F)(F)[*:1] O=C(COc1cccc(c1)[*:1])Nc1cc(Cl)ccc1Cl
CC(=O)c1cccc(NC(=O)CNc2cccc3c2OCCO3)c1 CC(=O)[*:1] O=C(CNc1cccc2OCCOc12)Nc1cccc(c1)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)Cn1cnc2c(cnn2C)c1=O Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)Cn1cnc2c(cnn2C)c1=O
CC[C@H](Cc1ccc(C)cc1)NC(=O)Cn1cnc2c(cnn2C)c1=O Cc1ccc(cc1)C[*:1] CC[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)[*:1]
Cc1ncccc1NC(=O)/C=C(/c1ccccc1)C(F)(F)F Cc1ncccc1[*:1] O=C(/C=C(/c1ccccc1)C(F)(F)F)N[*:1]
Cc1ncccc1NC(=O)/C=C(/c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] Cc1ncccc1NC(=O)/C=C(\C(F)(F)F)[*:1]
Cc1ncccc1NC(=O)/C=C(/c1ccccc1)C(F)(F)F FC(F)(F)[*:1] Cc1ncccc1NC(=O)C=C(c1ccccc1)[*:1]
C[C@H](NC(=O)c1cnn(-c2ccccc2)n1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cnn(n1)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)c1cnn(-c2ccccc2)n1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)c1cnn(n1)-c1ccccc1)[*:1]
COc1ccc(Cc2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2N)cc1 COc1ccc(cc1)C[*:1] Nn1c(nnc1[*:1])S[C@H](C(=O)N1CCOCC1)c1ccccc1
COc1ccc(Cc2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2N)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)Cc1nnc(S[C@H](c2ccccc2)[*:1])n1N
COc1ccc(Cc2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2N)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)Cc1nnc(S[C@H](C(=O)N2CCOCC2)[*:1])n1N
COc1ccc(Cc2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2N)cc1 COc1ccc(cc1)[*:1] Nn1c(C[*:1])nnc1S[C@H](C(=O)N1CCOCC1)c1ccccc1
CC(C)[C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1C(=O)[O-] c1cc(cs1)C[*:1] CC(C)[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)[*:1]
CC(C)[C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H]1CN(C[C@@H]1[*:1])C(=O)Cc1ccsc1
CC(C)[C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H]1CN(C[C@H]1[*:1])C(=O)Cc1ccsc1
CC(C)[C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1C(=O)[O-] c1cc(cs1)[*:1] CC(C)[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)C[*:1]
C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)Sc1ccccn1 C#CC[*:1] C[C@@H](Sc1ccccn1)C(=O)Nc1cc(F)ccc1O[*:1]
C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)S[*:1]
C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)Sc1ccccn1 C#CCO[*:1] C[C@@H](Sc1ccccn1)C(=O)Nc1cc(F)ccc1[*:1]
C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)S[*:1] C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)[*:1]
Cc1cc(NCC(=O)[O-])c2cc(S(=O)(=O)N(C)C)ccc2[nH+]1 O=C([O-])C[*:1] Cc1cc(N[*:1])c2cc(ccc2[nH+]1)S(=O)(=O)N(C)C
Cc1cc(NCC(=O)[O-])c2cc(S(=O)(=O)N(C)C)ccc2[nH+]1 CN(C)S(=O)(=O)[*:1] Cc1cc(NCC(=O)[O-])c2cc(ccc2[nH+]1)[*:1]
Cc1cc(NCC(=O)[O-])c2cc(S(=O)(=O)N(C)C)ccc2[nH+]1 O=C([O-])CN[*:1] Cc1cc(c2cc(ccc2[nH+]1)S(=O)(=O)N(C)C)[*:1]
Cc1cc(NCC(=O)[O-])c2cc(S(=O)(=O)N(C)C)ccc2[nH+]1 O=C([O-])[*:1] Cc1cc(NC[*:1])c2cc(ccc2[nH+]1)S(=O)(=O)N(C)C
CCn1c(SCC(=O)NCc2ccccc2F)nnc1-c1ccco1 Fc1ccccc1[*:1] CCn1c(nnc1-c1ccco1)SCC(=O)NC[*:1]
CCn1c(SCC(=O)NCc2ccccc2F)nnc1-c1ccco1 Fc1ccccc1C[*:1] CCn1c(nnc1-c1ccco1)SCC(=O)N[*:1]
CCn1c(SCC(=O)NCc2ccccc2F)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)NCc1ccccc1F
C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1)CNC(=O)O[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 CC(C)(C)OC(=O)N[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1)C[*:1]
O=C(c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 c1ccc(cc1)[*:1] O=C(N1CCC[C@H]1c1nc2ccccc2s1)[*:1]
C[C@H]([NH2+][C@H]1CCCCC[C@@H]1CO)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H]([NH2+][C@H]1CCCCC[C@@H]1CO)[*:1]
C[C@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2 c1csc(c1)[*:1] C[C@H](c1nc(no1)[*:1])S(=O)(=O)Cc1cc(Cl)c2OCOc2c1
CCOC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2CC)C1 CCO[*:1] CCc1ccccc1NC(=O)C(=O)N1CCC[C@H](C1)C[*:1]
CCOC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2CC)C1 CCOC[*:1] CCc1ccccc1NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
N#Cc1cccc(NC(=O)C(=O)NCCCSc2ccccc2)c1 N#Cc1cccc(c1)[*:1] O=C(NCCCSc1ccccc1)C(=O)N[*:1]
N#Cc1cccc(NC(=O)C(=O)NCCCSc2ccccc2)c1 c1ccc(cc1)SC[*:1] N#Cc1cccc(c1)NC(=O)C(=O)NCC[*:1]
N#Cc1cccc(NC(=O)C(=O)NCCCSc2ccccc2)c1 c1ccc(cc1)S[*:1] N#Cc1cccc(c1)NC(=O)C(=O)NCCC[*:1]
N#Cc1cccc(NC(=O)C(=O)NCCCSc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)C(=O)NCCCS[*:1]
O=C(C[C@H]1CCC[NH2+]1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(C[C@H]1CCC[NH2+]1)c1ccc(cc1)[*:1]
CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cc2c([nH]c1=O)CCCCC2 CC(C)[*:1] O=C1NCCN(C(=O)c2cc3CCCCCc3[nH]c2=O)[C@@H]1[*:1]
Cc1cnccc1C(=O)NCc1ccc[nH+]c1N(C)CCc1ccccn1 c1ccc(CC[*:1])nc1 Cc1cnccc1C(=O)NCc1ccc[nH+]c1N(C)[*:1]
Cc1cnccc1C(=O)NCc1ccc[nH+]c1N(C)CCc1ccccn1 c1ccc(nc1)[*:1] Cc1cnccc1C(=O)NCc1ccc[nH+]c1N(C)CC[*:1]
Cc1cnccc1C(=O)NCc1ccc[nH+]c1N(C)CCc1ccccn1 Cc1cnccc1[*:1] CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)[*:1]
Cc1cnccc1C(=O)NCc1ccc[nH+]c1N(C)CCc1ccccn1 c1ccc(C[*:1])nc1 Cc1cnccc1C(=O)NCc1ccc[nH+]c1N(C)C[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1F CC[C@@H](C)[*:1] O=C(N[C@@H](C(=O)NCc1ccccc1F)[*:1])c1ccc(Cl)cc1
CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1F Fc1ccccc1[*:1] CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1F Fc1ccccc1C[*:1] CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1F Clc1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](NC(=O)[*:1])C(=O)NCc1ccccc1F
CC(C)c1cc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)n(C)n1 O=C1CCCC(=O)N1[*:1] CC(C)c1cc(C(=O)Nc2ccc(cc2)[*:1])n(C)n1
CC(C)c1cc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)Nc1ccc(cc1)N1C(=O)CCCC1=O)[*:1]
COCC[C@@H](O)[C@H]1CCc2cccnc21 COCC[*:1] O[C@@H]([C@H]1CCc2cccnc21)[*:1]
COCC[C@@H](O)[C@H]1CCc2cccnc21 COC[*:1] O[C@H](C[*:1])[C@H]1CCc2cccnc21
CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2c(F)cccc2F)C1=O CC(C)[*:1] O=C(CN1C(=O)N[C@H](C[*:1])C1=O)Nc1c(F)cccc1F
CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2c(F)cccc2F)C1=O CC(C)C[*:1] O=C(CN1C(=O)N[C@@H](C1=O)[*:1])Nc1c(F)cccc1F
CCn1ncc2c(C(=O)N[C@@H](C)c3c(C)noc3C)cc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)N[C@@H](C)c1c(C)noc1C
CCn1ncc2c(C(=O)N[C@@H](C)c3c(C)noc3C)cc(-c3ccccc3)nc21 Cc1noc(C)c1[*:1] CCn1ncc2c(cc(nc21)-c1ccccc1)C(=O)N[C@@H](C)[*:1]
CC1(C)CCN(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)C1 c1ccc(cc1)[*:1] CC1(C)CCN(C1)C(=O)N[C@](C)(C(=O)[O-])[*:1]
CC1(C)CCN(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)C1 O=C([O-])[*:1] CC1(C)CCN(C1)C(=O)N[C@](C)(c1ccccc1)[*:1]
Cc1ccc(Cn2c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c(=O)c3ccccc32)cc1 O=C(C[*:1])NC1CC1 Cc1ccc(cc1)Cn1c(=O)n(-c2ccc(cc2)[*:1])c(=O)c2ccccc21
Cc1ccc(Cn2c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c(=O)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)-n1c(=O)c2ccccc2n(C[*:1])c1=O)NC1CC1
Cc1ccc(Cn2c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c(=O)c3ccccc32)cc1 C1CC1[*:1] Cc1ccc(cc1)Cn1c(=O)n(-c2ccc(cc2)CC(=O)N[*:1])c(=O)c2ccccc21
Cc1ccc(Cn2c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c(=O)c3ccccc32)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)Cn1c(=O)n(-c2ccc(cc2)C[*:1])c(=O)c2ccccc21
Cc1ccc(Cn2c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c(=O)c3ccccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(Cc1ccc(cc1)-n1c(=O)c2ccccc2n(c1=O)[*:1])NC1CC1
CSCC[C@H](C)NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl CSCC[*:1] C[C@H](NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)[*:1]
CSCC[C@H](C)NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl CSC[*:1] C[C@@H](C[*:1])NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl
CSCC[C@H](C)NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl CSCC[C@H](C)[*:1] O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)N[*:1]
C#CCN1CCN(C(=O)N[C@@H](C)c2cc3cccc(OCC)c3o2)CC1 C#CC[*:1] CCOc1cccc2cc(oc12)[C@H](C)NC(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)N[C@@H](C)c2cc3cccc(OCC)c3o2)CC1 CCO[*:1] C#CCN1CCN(CC1)C(=O)N[C@@H](C)c1cc2cccc(c2o1)[*:1]
S=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccc2c(c1)OCO2)Cc1ccco1 Clc1ccc(cc1Cl)[*:1] S=C(N[*:1])N(Cc1ccc2OCOc2c1)Cc1ccco1
S=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccc2c(c1)OCO2)Cc1ccco1 c1coc(c1)C[*:1] S=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccc2OCOc2c1)[*:1]
S=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccc2c(c1)OCO2)Cc1ccco1 c1cc2OCOc2cc1[*:1] S=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccco1)C[*:1]
S=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccc2c(c1)OCO2)Cc1ccco1 c1coc(c1)[*:1] S=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccc2OCOc2c1)C[*:1]
CC[C@@](C)(NC(=O)[C@H]1Cc2[nH]c[nH+]c2CN1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)[C@H]1Cc2[nH]c[nH+]c2CN1)[*:1]
O=C1[C@H]2C[C@H]2C(=O)N1CCOCCS SCC[*:1] O=C1[C@H]2C[C@H]2C(=O)N1CCO[*:1]
O=C1[C@H]2C[C@H]2C(=O)N1CCOCCS SCCO[*:1] O=C1[C@H]2C[C@H]2C(=O)N1CC[*:1]
COCCOC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 COC[*:1] CC(C)Cn1c(N)c(C(=O)OC[*:1])c2nc3ccccc3nc21
COCCOC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 COCCOC(=O)[*:1] CC(C)Cn1c(N)c(c2nc3ccccc3nc21)[*:1]
COCCOC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 COCC[*:1] CC(C)Cn1c(N)c(C(=O)O[*:1])c2nc3ccccc3nc21
COCCOC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 CC(C)[*:1] COCCOC(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
COCCOC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 CC(C)C[*:1] COCCOC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
CC(C)c1ocnc1CN(CC#N)C1CCCC1 CC(C)[*:1] N#CCN(Cc1ncoc1[*:1])C1CCCC1
CC(C)c1ocnc1CN(CC#N)C1CCCC1 N#CC[*:1] CC(C)c1ocnc1CN(C1CCCC1)[*:1]
CC(C)c1ocnc1CN(CC#N)C1CCCC1 C1CCC(C1)[*:1] CC(C)c1ocnc1CN(CC#N)[*:1]
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N(C)Cc2ncnn2C)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)C=C[*:1])C(=O)N(C)Cc1ncnn1C
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N(C)Cc2ncnn2C)cc1 Cn1ncnc1C[*:1] COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N(C)[*:1])cc1
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N(C)Cc2ncnn2C)cc1 Cn1ncnc1[*:1] COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N(C)C[*:1])cc1
O=C([O-])COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 O=C([O-])CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)c(Cl)c1
O=C([O-])COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1ccc(Cl)c(Cl)c1
O=C([O-])COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 O=C([O-])C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccc(Cl)c(Cl)c1
COC(=O)C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccccc1 COC(=O)C[*:1] O=C1[C@H](N(Cc2ccccc2)C(=S)N1c1ccccc1)[*:1]
COC(=O)C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccccc1 c1ccc(cc1)[*:1] COC(=O)C[C@@H]1C(=O)N(C(=S)N1C[*:1])c1ccccc1
COC(=O)C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccccc1 c1ccc(cc1)[*:1] COC(=O)C[C@@H]1C(=O)N(C(=S)N1Cc1ccccc1)[*:1]
COC(=O)C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccccc1 COC(=O)[*:1] O=C1[C@@H](C[*:1])N(Cc2ccccc2)C(=S)N1c1ccccc1
COC(=O)C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccccc1 c1ccc(cc1)C[*:1] COC(=O)C[C@@H]1C(=O)N(C(=S)N1[*:1])c1ccccc1
Cc1ccc(NC(=O)CCc2cccc(F)c2)cc1NS(=O)(=O)c1ccccc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1NS(=O)(=O)c1ccccc1)NC(=O)CC[*:1]
Cc1ccc(NC(=O)CCc2cccc(F)c2)cc1NS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NS(=O)(=O)[*:1])NC(=O)CCc1cccc(F)c1
Cc1ccc(NC(=O)CCc2cccc(F)c2)cc1NS(=O)(=O)c1ccccc1 Fc1cccc(c1)CC[*:1] Cc1ccc(cc1NS(=O)(=O)c1ccccc1)NC(=O)[*:1]
Cc1ccc(NC(=O)CCc2cccc(F)c2)cc1NS(=O)(=O)c1ccccc1 Fc1cccc(c1)C[*:1] Cc1ccc(cc1NS(=O)(=O)c1ccccc1)NC(=O)C[*:1]
COc1cccc(CC(=O)N2CCC([C@]3(c4ccccn4)NC(=O)N(C[C@@H]4CCCO4)C3=O)CC2)c1 COc1cccc(c1)C[*:1] O=C1N[C@@](C(=O)N1C[C@@H]1CCCO1)(c1ccccn1)C1CCN(CC1)C(=O)[*:1]
COc1cccc(CC(=O)N2CCC([C@]3(c4ccccn4)NC(=O)N(C[C@@H]4CCCO4)C3=O)CC2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)CC(=O)N1CCC(CC1)[C@@]1(NC(=O)N(C[C@@H]2CCCO2)C1=O)[*:1]
COc1cccc(CC(=O)N2CCC([C@]3(c4ccccn4)NC(=O)N(C[C@@H]4CCCO4)C3=O)CC2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N1CCC(CC1)[C@@]1(NC(=O)N(C[C@@H]2CCCO2)C1=O)c1ccccn1
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)c(F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)N[*:1]
C[C@H](Sc1nnc(-c2ccco2)o1)c1nc2ccccc2c(=O)[nH]1 c1coc(c1)[*:1] C[C@H](Sc1nnc(o1)[*:1])c1nc2ccccc2c(=O)[nH]1
CC1CC(NS(=O)(=O)c2ccc(F)cc2Cl)C1 CC1CC(C1)[*:1] O=S(=O)(N[*:1])c1ccc(F)cc1Cl
CSCc1ccnc(NC[C@H]2CCS(=O)(=O)C2)c1 CSC[*:1] O=S1(=O)CC[C@H](CNc2cc(ccn2)[*:1])C1
CCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)C(C)C)CC1 CC(C)[*:1] CCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(CC1)C(=O)[*:1]
CCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)C(C)C)CC1 Cc1cccc(c1)[*:1] CCCNC(=O)[C@@H](NC(=O)[*:1])C1CCN(CC1)C(=O)C(C)C
CCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)C(C)C)CC1 CCC[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)N[*:1])C1CCN(CC1)C(=O)C(C)C
CCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)C(C)C)CC1 CCCNC(=O)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C1CCN(CC1)C(=O)C(C)C)[*:1]
COC(=O)CN(Cc1ccc(Cl)cc1)C1CCSCC1 COC(=O)[*:1] Clc1ccc(cc1)CN(C[*:1])C1CCSCC1
COC(=O)CN(Cc1ccc(Cl)cc1)C1CCSCC1 COC(=O)C[*:1] Clc1ccc(cc1)CN(C1CCSCC1)[*:1]
COC(=O)CN(Cc1ccc(Cl)cc1)C1CCSCC1 C1CC(CCS1)[*:1] COC(=O)CN(Cc1ccc(Cl)cc1)[*:1]
C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1C(F)(F)F C1CC1[*:1] C[C@@H](N[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1C(F)(F)F
C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](N[C@@H]1CC(=O)N(C1)C1CC1)c1ccccc1[*:1]
COC(=O)[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC(=O)[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)[*:1]
COC(=O)[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(F)c(F)c1 COC(=O)[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])c1cc2cc(F)ccc2[nH]1
COc1ccccc1[C@@H]1CCN(C(=O)Cc2c[nH]c3c(C)cccc23)C1 COc1ccccc1[*:1] Cc1cccc2c(c[nH]c12)CC(=O)N1CC[C@H](C1)[*:1]
C[C@@H](O)[C@@H](C)S(=O)(=O)CC(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](O)[C@@H](C)S(=O)(=O)CC(=O)N[*:1]
C[C@@H](O)[C@@H](C)S(=O)(=O)CC(=O)NC1CCCC1 C[C@@H](O)[*:1] C[C@@H](S(=O)(=O)CC(=O)NC1CCCC1)[*:1]
C[NH+](C)[C@H](CNC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@H](CNC(=O)C=C1CN(C1)C(=O)OC(C)(C)C)[*:1]
C[NH+](C)[C@H](CNC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)C1CCCCC1 CC(C)(C)[*:1] C[NH+](C)[C@H](CNC(=O)C=C1CN(C1)C(=O)O[*:1])C1CCCCC1
CCn1nc(NCc2ccc(OC)c(COC)c2)cc1C COC[*:1] CCn1nc(cc1C)NCc1ccc(OC)c(c1)[*:1]
Cc1cnc(CNC(=O)N(CCc2ccccc2)Cc2ccccc2)s1 c1ccc(cc1)C[*:1] Cc1cnc(CNC(=O)N(Cc2ccccc2)C[*:1])s1
Cc1cnc(CNC(=O)N(CCc2ccccc2)Cc2ccccc2)s1 Cc1cnc(s1)[*:1] O=C(NC[*:1])N(CCc1ccccc1)Cc1ccccc1
Cc1cnc(CNC(=O)N(CCc2ccccc2)Cc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cnc(CNC(=O)N(CC[*:1])Cc2ccccc2)s1
Cc1cnc(CNC(=O)N(CCc2ccccc2)Cc2ccccc2)s1 c1ccc(cc1)C[*:1] Cc1cnc(CNC(=O)N(CCc2ccccc2)[*:1])s1
Cc1cnc(CNC(=O)N(CCc2ccccc2)Cc2ccccc2)s1 Cc1cnc(C[*:1])s1 O=C(N[*:1])N(CCc1ccccc1)Cc1ccccc1
Cc1cnc(CNC(=O)N(CCc2ccccc2)Cc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cnc(CNC(=O)N(CCc2ccccc2)C[*:1])s1
Cc1cnc(CNC(=O)N(CCc2ccccc2)Cc2ccccc2)s1 c1ccc(cc1)CC[*:1] Cc1cnc(CNC(=O)N(Cc2ccccc2)[*:1])s1
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cc(C#N)ccc1F N#Cc1cccc(c1)[*:1] C=CCN(C[*:1])C(=O)NCc1cc(C#N)ccc1F
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cc(C#N)ccc1F C=CC[*:1] N#Cc1cccc(c1)CN(C(=O)NCc1cc(C#N)ccc1F)[*:1]
CCCSc1nc2ccccc2n1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CCCSc1nc2ccccc2n1C[C@H](O)[*:1]
CCCSc1nc2ccccc2n1C[C@H](O)c1ccccc1 CCCS[*:1] O[C@@H](Cn1c(nc2ccccc21)[*:1])c1ccccc1
CCCSc1nc2ccccc2n1C[C@H](O)c1ccccc1 CCC[*:1] O[C@@H](Cn1c(nc2ccccc21)S[*:1])c1ccccc1
Cc1nn(C)c(Cl)c1C[NH2+]C[C@](C)(O)CCC(C)C CC(C)[*:1] Cc1nn(C)c(Cl)c1C[NH2+]C[C@](C)(O)CC[*:1]
Cc1nn(C)c(Cl)c1C[NH2+]C[C@](C)(O)CCC(C)C CC(C)CC[*:1] Cc1nn(C)c(Cl)c1C[NH2+]C[C@](C)(O)[*:1]
Cc1nn(C)c(Cl)c1C[NH2+]C[C@](C)(O)CCC(C)C CC(C)C[*:1] Cc1nn(C)c(Cl)c1C[NH2+]C[C@](C)(O)C[*:1]
C[C@H](NC(=O)c1cc(Br)ncc1F)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] C[C@H](NC(=O)c1cc(Br)ncc1F)c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1cc(Br)ncc1F)c1ccc(S(=O)(=O)N(C)C)cc1 Fc1cnc(Br)cc1[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)S(=O)(=O)N(C)C
CCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccnc1 CCO[*:1] Clc1cc(Cl)c(c(c1)C[NH2+]Cc1cccnc1)[*:1]
CCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccnc1 c1cncc(c1)[*:1] CCOc1c(Cl)cc(Cl)cc1C[NH2+]C[*:1]
COc1cc(Cl)c(C)cc1NC(=O)C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O Fc1ccc(cc1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)C[C@@H](N1Cc2ccccc2C1=O)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O COc1cc(Cl)c(C)cc1[*:1] O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)N[*:1]
COc1cc(Cl)c(C)cc1NC(=O)C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O O=C1c2ccccc2CN1[*:1] COc1cc(Cl)c(C)cc1NC(=O)C[C@@H](c1ccc(F)cc1)[*:1]
CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2O1 CC(C)[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1Cc2ccccc2CN1C(=O)C[*:1]
CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2O1 c1ccc2O[C@@H](Cc2c1)[*:1] CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[*:1]
CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2O1 CC(C)C[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1Cc2ccccc2CN1C(=O)[*:1]
CN(Cc1cccs1)C(=O)Cn1cnc2ccc(Br)cc2c1=O c1csc(c1)C[*:1] CN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)[*:1]
CN(Cc1cccs1)C(=O)Cn1cnc2ccc(Br)cc2c1=O c1csc(c1)[*:1] CN(C[*:1])C(=O)Cn1cnc2ccc(Br)cc2c1=O
C/C(=N\NC(=O)CN1CCN(c2ccccc2)CC1)c1cccnc1 c1cncc(c1)[*:1] CC(=NNC(=O)CN1CCN(CC1)c1ccccc1)[*:1]
C/C(=N\NC(=O)CN1CCN(c2ccccc2)CC1)c1cccnc1 c1ccc(cc1)[*:1] C/C(=N\NC(=O)CN1CCN(CC1)[*:1])c1cccnc1
O=C(Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl O=[N+]([O-])[*:1] O=C(Cl)c1sc2c(cccc2c1Cl)[*:1]
O=C(Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl O=C(Cl)[*:1] O=[N+]([O-])c1cccc2c(Cl)c(sc12)[*:1]
O=[N+]([O-])c1ccc(Oc2cccnc2)c(F)c1 O=[N+]([O-])[*:1] Fc1cc(ccc1Oc1cccnc1)[*:1]
O=C(c1ccc2c(c1)CCC2)N1CCC([C@@H](O)c2ccccc2)CC1 O[C@@H](c1ccccc1)[*:1] O=C(c1ccc2CCCc2c1)N1CCC(CC1)[*:1]
O=C(c1ccc2c(c1)CCC2)N1CCC([C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc2CCCc2c1)N1CCC(CC1)[C@@H](O)[*:1]
Cc1cc(F)cc(N[C@H](C(N)=O)[C@@H]2CCCOC2)c1 C1COC[C@@H](C1)[*:1] Cc1cc(F)cc(c1)N[C@H](C(N)=O)[*:1]
Cc1cc(F)cc(N[C@H](C(N)=O)[C@@H]2CCCOC2)c1 NC(=O)[*:1] Cc1cc(F)cc(c1)N[C@H]([C@@H]1CCCOC1)[*:1]
COCCNC(=O)c1c(N[C@@H]2OC(=O)c3ccccc32)sc2c1CCCC2 COC[*:1] O=C1O[C@@H](Nc2sc3CCCCc3c2C(=O)NC[*:1])c2ccccc21
COCCNC(=O)c1c(N[C@@H]2OC(=O)c3ccccc32)sc2c1CCCC2 COCC[*:1] O=C1O[C@@H](Nc2sc3CCCCc3c2C(=O)N[*:1])c2ccccc21
COCCNC(=O)c1c(N[C@@H]2OC(=O)c3ccccc32)sc2c1CCCC2 COCCNC(=O)[*:1] O=C1O[C@@H](Nc2sc3CCCCc3c2[*:1])c2ccccc21
Cc1nc(C)n([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1 Fc1cccc(c1)O[*:1] Cc1nc(C)n(n1)[C@H]1CCCN(C1)C(=O)CC[*:1]
Cc1nc(C)n([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1 Fc1cccc(c1)[*:1] Cc1nc(C)n(n1)[C@H]1CCCN(C1)C(=O)CCO[*:1]
Cc1nc(C)n([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1 Cc1nc(C)n(n1)[*:1] O=C(CCOc1cccc(F)c1)N1CCC[C@@H](C1)[*:1]
COc1cccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)c1 COc1cccc(c1)C[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)[C@H](C)C(=O)N[*:1]
COc1cccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)c1 COc1ccc2cc([nH]c2c1)[*:1] COc1cccc(c1)CNC(=O)[C@@H](C)C1CCN(CC1)C(=O)[*:1]
COc1cccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)c1 COc1cccc(c1)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)[C@H](C)C(=O)NC[*:1]
COc1cccc2cc(NC(=O)c3ccccc3)c(=O)oc12 c1ccc(cc1)[*:1] COc1cccc2cc(NC(=O)[*:1])c(=O)oc12
C=CCn1c(S[C@H](C)C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O COC(=O)[C@@H](C)S[*:1] C=CCn1c(nc2scc(-c3ccc(C)cc3)c2c1=O)[*:1]
C=CCn1c(S[C@H](C)C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O COC(=O)[*:1] C=CCn1c(nc2scc(-c3ccc(C)cc3)c2c1=O)S[C@H](C)[*:1]
C=CCn1c(S[C@H](C)C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O Cc1ccc(cc1)[*:1] C=CCn1c(nc2scc(c2c1=O)[*:1])S[C@H](C)C(=O)OC
C=CCn1c(S[C@H](C)C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O C=CC[*:1] COC(=O)[C@@H](C)Sc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1[*:1]
CC[C@@H](C#N)OC(=O)c1cc(Br)cn1C(C)C CC[C@@H](C#N)[*:1] CC(C)n1cc(Br)cc1C(=O)O[*:1]
CC[C@@H](C#N)OC(=O)c1cc(Br)cn1C(C)C CC(C)[*:1] CC[C@@H](C#N)OC(=O)c1cc(Br)cn1[*:1]
CCc1ccccc1NC(=O)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CCc1ccccc1NC(=O)C(=O)N[*:1]
CC[C@H](C)c1nc2ccccc2n1C[C@@H](O)COc1ccccc1 CC[C@H](C)[*:1] O[C@@H](COc1ccccc1)Cn1c(nc2ccccc21)[*:1]
CC[C@H](C)c1nc2ccccc2n1C[C@@H](O)COc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)c1nc2ccccc2n1C[C@@H](O)CO[*:1]
CC[C@H](C)c1nc2ccccc2n1C[C@@H](O)COc1ccccc1 c1ccc(cc1)OC[*:1] CC[C@H](C)c1nc2ccccc2n1C[C@@H](O)[*:1]
CC[C@H](C)c1nc2ccccc2n1C[C@@H](O)COc1ccccc1 c1ccc(cc1)O[*:1] CC[C@H](C)c1nc2ccccc2n1C[C@@H](O)C[*:1]
Nc1cccc(SCC(=O)NCC2CC2)c1 C1CC1C[*:1] Nc1cccc(c1)SCC(=O)N[*:1]
Nc1cccc(SCC(=O)NCC2CC2)c1 C1CC1[*:1] Nc1cccc(c1)SCC(=O)NC[*:1]
Cc1ccnn1CCC(=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 Cc1ccnn1C[*:1] O=C(C[*:1])N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1
Cc1ccnn1CCC(=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 Cc1ccnn1CC[*:1] O=C(N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)[*:1]
Cc1ccnn1CCC(=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 Cc1ccnn1[*:1] O=C(CC[*:1])N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1
Cc1sc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c(C#N)c1C Clc1ccc(cc1)[*:1] Cc1sc(NC(=O)c2ccc(CO[*:1])o2)c(C#N)c1C
Cc1sc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c(C#N)c1C Clc1ccc(cc1)O[*:1] Cc1sc(NC(=O)c2ccc(C[*:1])o2)c(C#N)c1C
CCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCC(=O)N[C@H]1CCCN(C1)C(=O)N[*:1]
CCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 CCC(=O)N[*:1] O=C(Nc1ccc(F)cc1)N1CCC[C@@H](C1)[*:1]
CCn1nc(C)c(CNC(=O)c2cc(COc3ccc4ncccc4c3)on2)c1C CCn1nc(C)c(c1C)[*:1] O=C(NC[*:1])c1cc(COc2ccc3ncccc3c2)on1
CCn1nc(C)c(CNC(=O)c2cc(COc3ccc4ncccc4c3)on2)c1C c1cnc2ccc(cc2c1)[*:1] CCn1nc(C)c(CNC(=O)c2cc(CO[*:1])on2)c1C
CCn1nc(C)c(CNC(=O)c2cc(COc3ccc4ncccc4c3)on2)c1C CCn1nc(C)c(C[*:1])c1C O=C(N[*:1])c1cc(COc2ccc3ncccc3c2)on1
CCCN(c1ccc(N)c(OC(C)C)n1)C1CC1 CC(C)O[*:1] CCCN(c1ccc(N)c(n1)[*:1])C1CC1
CCCN(c1ccc(N)c(OC(C)C)n1)C1CC1 CC(C)[*:1] CCCN(c1ccc(N)c(n1)O[*:1])C1CC1
CCCN(c1ccc(N)c(OC(C)C)n1)C1CC1 CCC[*:1] CC(C)Oc1nc(ccc1N)N(C1CC1)[*:1]
CCCN(c1ccc(N)c(OC(C)C)n1)C1CC1 C1CC1[*:1] CCCN(c1ccc(N)c(n1)OC(C)C)[*:1]
CN(C[C@H]1CCCOC1)C(=O)c1ccc(Br)nc1 C1COC[C@H](C1)[*:1] CN(C[*:1])C(=O)c1ccc(Br)nc1
Cc1ccc(CCNC(=O)c2cc3sccc3n2CCc2ccccc2)o1 c1ccc(cc1)CC[*:1] Cc1ccc(CCNC(=O)c2cc3sccc3n2[*:1])o1
Cc1ccc(CCNC(=O)c2cc3sccc3n2CCc2ccccc2)o1 c1ccc(cc1)C[*:1] Cc1ccc(CCNC(=O)c2cc3sccc3n2C[*:1])o1
Cc1ccc(CCNC(=O)c2cc3sccc3n2CCc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(CCNC(=O)c2cc3sccc3n2CC[*:1])o1
Cc1ccc(CCNC(=O)c2cc3sccc3n2CCc2ccccc2)o1 Cc1ccc(CC[*:1])o1 O=C(N[*:1])c1cc2sccc2n1CCc1ccccc1
Cc1ccc(CCNC(=O)c2cc3sccc3n2CCc2ccccc2)o1 Cc1ccc(o1)[*:1] O=C(NCC[*:1])c1cc2sccc2n1CCc1ccccc1
Cc1ccc(CCNC(=O)c2cc3sccc3n2CCc2ccccc2)o1 Cc1ccc(C[*:1])o1 O=C(NC[*:1])c1cc2sccc2n1CCc1ccccc1
CCOCc1ccc(NC(=O)N(C)Cc2ccc([S@@](C)=O)cc2)cc1 CCO[*:1] CN(Cc1ccc(cc1)[S@@](C)=O)C(=O)Nc1ccc(cc1)C[*:1]
CCOCc1ccc(NC(=O)N(C)Cc2ccc([S@@](C)=O)cc2)cc1 CCOC[*:1] CN(Cc1ccc(cc1)[S@@](C)=O)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc2c(=O)c(C(=O)N(C)CC(C)C)c[nH]c2c1 CC(C)C[*:1] COc1ccc2c(=O)c(c[nH]c2c1)C(=O)N(C)[*:1]
COc1ccc2c(=O)c(C(=O)N(C)CC(C)C)c[nH]c2c1 CC(C)[*:1] COc1ccc2c(=O)c(c[nH]c2c1)C(=O)N(C)C[*:1]
CC(C)[C@H](C[NH+](C)C)NC(=O)c1csc(/C=C/C(=O)[O-])c1 CC(C)[*:1] C[NH+](C)C[C@H](NC(=O)c1csc(/C=C/C(=O)[O-])c1)[*:1]
CC(C)[C@H](C[NH+](C)C)NC(=O)c1csc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] CC(C)[C@H](C[NH+](C)C)NC(=O)c1csc(C=C[*:1])c1
CC(C)[C@H](C[NH+](C)C)NC(=O)c1csc(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] CC(C)[C@H](C[NH+](C)C)NC(=O)c1csc(c1)[*:1]
CC(C)n1cc(C(=O)NCc2ccc(F)c(Cl)c2)cn1 CC(C)[*:1] O=C(NCc1ccc(F)c(Cl)c1)c1cnn(c1)[*:1]
CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1cccc(F)c1 Fc1cccc(c1)CO[*:1] CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1[*:1]
CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1cccc(F)c1 Fc1cccc(c1)[*:1] CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OC[*:1]
CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1cccc(F)c1 CCOC(=O)[*:1] O=c1cc(OCc2cccc(F)c2)c(nn1-c1ccccc1)[*:1]
CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1cccc(F)c1 c1ccc(cc1)[*:1] CCOC(=O)c1nn(c(=O)cc1OCc1cccc(F)c1)[*:1]
CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1cccc(F)c1 Fc1cccc(c1)C[*:1] CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1O[*:1]
COCCCOc1ccc(N)c(C)c1 COCC[*:1] Cc1cc(ccc1N)OC[*:1]
COCCCOc1ccc(N)c(C)c1 COC[*:1] Cc1cc(ccc1N)OCC[*:1]
Cc1cc(C)nc(N2CCCC[C@H]2C(=O)[O-])n1 O=C([O-])[*:1] Cc1cc(C)nc(n1)N1CCCC[C@@H]1[*:1]
C/C(=C/C(=O)N(C)CC(=O)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(=CC(=O)N(C)CC(=O)N1CCOCC1)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)N(C1CC1)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)N(C1CC1)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)N(C1CC1)[C@@H](C)C(C)C CCC[*:1] CC(C)[C@H](C)N(C(=O)N[C@H]1C[C@H]1[*:1])C1CC1
CCC[C@@H]1C[C@@H]1NC(=O)N(C1CC1)[C@@H](C)C(C)C C1CC1[*:1] CCC[C@@H]1C[C@@H]1NC(=O)N([C@@H](C)C(C)C)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)N(C1CC1)[C@@H](C)C(C)C CC(C)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)N(C1CC1)[C@@H](C)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)N(C1CC1)[C@@H](C)C(C)C CCC[C@@H]1C[C@H]1[*:1] CC(C)[C@H](C)N(C(=O)N[*:1])C1CC1
CCC[C@@H](C(=O)OCC)c1nc(-c2ccncc2)no1 CCC[*:1] CCOC(=O)[C@@H](c1nc(no1)-c1ccncc1)[*:1]
CCC[C@@H](C(=O)OCC)c1nc(-c2ccncc2)no1 CCOC(=O)[*:1] CCC[C@@H](c1nc(no1)-c1ccncc1)[*:1]
CCC[C@@H](C(=O)OCC)c1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] CCC[C@@H](C(=O)OCC)c1nc(no1)[*:1]
COC(=O)[C@H]1CCCCN1C(=O)c1cccc(OC)c1 COC(=O)[*:1] COc1cccc(c1)C(=O)N1CCCC[C@@H]1[*:1]
CCO[C@H](C)C(=O)N[C@H]1CCCc2ccc(F)cc21 CCO[*:1] C[C@H](C(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
CCO[C@H](C)C(=O)N[C@H]1CCCc2ccc(F)cc21 CCO[C@H](C)[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)[*:1]
C[C@@H](CC#N)C(=O)c1ccccc1 N#CC[*:1] C[C@@H](C(=O)c1ccccc1)[*:1]
CSc1nnc(CCCNC(=O)N2C[C@@H](C)C[C@@H](C)C2)n1C1CCCC1 C1CCC(C1)[*:1] CSc1nnc(CCCNC(=O)N2C[C@@H](C)C[C@@H](C)C2)n1[*:1]
O=C(NCCc1ccccn1)NC[C@H]1CCS(=O)(=O)C1 c1ccc(nc1)[*:1] O=C(NCC[*:1])NC[C@H]1CCS(=O)(=O)C1
C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCC(F)(F)F FC(F)(F)C[*:1] C[C@H]1C[NH2+]CC[C@H]1NC(=O)C[*:1]
C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCC(F)(F)F FC(F)(F)[*:1] C[C@H]1C[NH2+]CC[C@H]1NC(=O)CC[*:1]
O=C(Nc1nc(N2CCOCC2)ns1)[C@H]1COc2ccc(F)cc2C1 C1CN(CCO1)[*:1] O=C(Nc1nc(ns1)[*:1])[C@H]1COc2ccc(F)cc2C1
CC[NH2+]C[C@@H](Cc1ccc(O)cc1)Cc1cccc(Br)c1 Oc1ccc(cc1)[*:1] CC[NH2+]C[C@H](Cc1cccc(Br)c1)C[*:1]
CC[NH2+]C[C@@H](Cc1ccc(O)cc1)Cc1cccc(Br)c1 Brc1cccc(c1)[*:1] CC[NH2+]C[C@@H](Cc1ccc(O)cc1)C[*:1]
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cccc2[nH]ccc12 CS(=O)(=O)[*:1] C[C@@H]([C@@H](C)[*:1])N(C)C(=O)c1cccc2[nH]ccc12
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 O=C([O-])CNC(=O)[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 O=C([O-])C[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N1CCCC1=O
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 O=C1CCCN1[*:1] O=C([O-])CNC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 O=C([O-])[*:1] O=C(NC[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N1CCCC1=O
CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c[nH+]1 FC(F)(F)c1cccc(c1)[*:1] CN(C)c1ccc(c[nH+]1)CNC(=O)[C@H]1CC(=O)N(C1)C[*:1]
CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c[nH+]1 FC(F)(F)[*:1] CN(C)c1ccc(c[nH+]1)CNC(=O)[C@H]1CC(=O)N(Cc2cccc(c2)[*:1])C1
CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c[nH+]1 CN(C)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])[C@H]1CC(=O)N(Cc2cccc(c2)C(F)(F)F)C1
COC(=O)[C@H]1CN(C(=O)Nc2ccc(C)cc2)C[C@@H]1C COC(=O)[*:1] Cc1ccc(cc1)NC(=O)N1C[C@H](C)[C@H](C1)[*:1]
C[C@@H](NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O)[*:1]
C[C@@H](NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1cc(Cl)c(Cl)cc1Cl
CCn1nc(C)c(-c2cc(C(=O)N3CCC(O)(c4cccnc4F)CC3)[nH]n2)c1C Fc1ncccc1[*:1] CCn1nc(C)c(-c2cc([nH]n2)C(=O)N2CCC(O)(CC2)[*:1])c1C
CCn1nc(C)c(-c2cc(C(=O)N3CCC(O)(c4cccnc4F)CC3)[nH]n2)c1C CCn1nc(C)c(c1C)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCC(O)(CC1)c1cccnc1F
COC(=O)/C=C/c1ccc(OCc2cc(=O)oc3cc(Br)ccc23)c(OC)c1 COC(=O)[*:1] COc1cc(C=C[*:1])ccc1OCc1cc(=O)oc2cc(Br)ccc12
COC(=O)/C=C/c1ccc(OCc2cc(=O)oc3cc(Br)ccc23)c(OC)c1 COC(=O)C=C[*:1] COc1cc(ccc1OCc1cc(=O)oc2cc(Br)ccc12)[*:1]
O=C(c1ccc(F)cc1)N1CCN(Cc2noc(-c3ccc4ccccc4c3)n2)CC1 Fc1ccc(cc1)[*:1] O=C(N1CCN(CC1)Cc1noc(n1)-c1ccc2ccccc2c1)[*:1]
O=C(c1ccc(F)cc1)N1CCN(Cc2noc(-c3ccc4ccccc4c3)n2)CC1 c1ccc2cc(ccc2c1)[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)Cc1noc(n1)[*:1]
Cc1ccoc1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccoc1C(=O)N[C@H](C)c1ccc(cc1)NC(=O)[*:1]
Cc1ccoc1C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 Cc1ccoc1[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)NC(=O)c1ccncc1
CO[C@H]1CCCN(C(=O)NCCCS(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CO[C@H]1CCCN(C1)C(=O)NCCCS(=O)(=O)[*:1]
CC[C@@H](C)c1ccc(O)c(NC(=O)CCc2ccccc2)c1 CC[C@@H](C)[*:1] O=C(CCc1ccccc1)Nc1cc(ccc1O)[*:1]
CC[C@@H](C)c1ccc(O)c(NC(=O)CCc2ccccc2)c1 c1ccc(cc1)C[*:1] CC[C@@H](C)c1ccc(O)c(c1)NC(=O)C[*:1]
CC[C@@H](C)c1ccc(O)c(NC(=O)CCc2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@@H](C)c1ccc(O)c(c1)NC(=O)CC[*:1]
Cc1cc(C)n(C)c(=O)c1C(=O)N1CCO[C@H](CCCC(C)C)C1 CC(C)[*:1] Cc1cc(C)n(C)c(=O)c1C(=O)N1CCO[C@H](CCC[*:1])C1
Cc1cc(C)n(C)c(=O)c1C(=O)N1CCO[C@H](CCCC(C)C)C1 CC(C)C[*:1] Cc1cc(C)n(C)c(=O)c1C(=O)N1CCO[C@H](CC[*:1])C1
Cc1cc(C)n(C)c(=O)c1C(=O)N1CCO[C@H](CCCC(C)C)C1 CC(C)CCC[*:1] Cc1cc(C)n(C)c(=O)c1C(=O)N1CCO[C@H](C1)[*:1]
Cc1cc(C)n(C)c(=O)c1C(=O)N1CCO[C@H](CCCC(C)C)C1 CC(C)CC[*:1] Cc1cc(C)n(C)c(=O)c1C(=O)N1CCO[C@@H](C1)C[*:1]
CCOC(=O)C1(NC(=O)[C@H]2CCO[C@H]2C)Cc2ccccc2C1 CCOC(=O)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NC1(Cc2ccccc2C1)[*:1]
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)[*:1])NC(=O)Nc1ccccc1
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)c1ccccc1)NC(=O)N[*:1]
Cc1ccc2c(c1)CCN2S(=O)(=O)c1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] Cc1ccc2c(c1)CCN2S(=O)(=O)c1cccc(c1)[*:1]
CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2)C1=O c1ccc(nc1)[*:1] CC1(C)CS(=O)(=O)N(C1=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2)C1=O CC1(C)CS(=O)(=O)N(C1=O)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccccn1
CN(CCCS(C)(=O)=O)C(=O)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] CN(CCCS(C)(=O)=O)C(=O)c1cn(nn1)[*:1]
CN(CCCS(C)(=O)=O)C(=O)c1cn(-c2ccccc2)nn1 CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)c1cn(nn1)-c1ccccc1
CN(CCCS(C)(=O)=O)C(=O)c1cn(-c2ccccc2)nn1 CS(=O)(=O)CCC[*:1] CN(C(=O)c1cn(nn1)-c1ccccc1)[*:1]
CN(CCCS(C)(=O)=O)C(=O)c1cn(-c2ccccc2)nn1 CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)c1cn(nn1)-c1ccccc1
CN(CCCS(C)(=O)=O)C(=O)c1cn(-c2ccccc2)nn1 CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)c1cn(nn1)-c1ccccc1
N#Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1 O=C([O-])[*:1] N#Cc1ccc(cc1)-c1ccc(F)c(c1)[*:1]
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc([N+](=O)[O-])c1O c1ccc(cc1)C[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])cc(c1O)[N+](=O)[O-]
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc([N+](=O)[O-])c1O c1ccc(cc1)[*:1] COc1cc(/C=C(\C#N)C(=O)NC[*:1])cc(c1O)[N+](=O)[O-]
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(c1O)[*:1]
COCCNC(=O)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 Cc1cc(C)n(n1)[*:1] COCCNC(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
COCCNC(=O)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 COC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)NC(=O)C(=O)NC[*:1]
COCCNC(=O)C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 COCC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)NC(=O)C(=O)N[*:1]
CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2SC)c1 CCO[*:1] CS[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
CC[C@@H](C)N(CC)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 CC[C@@H](C)[*:1] CCN(C(=O)[C@@H]1C=C[C@@H]([NH3+])C1)[*:1]
CC(=O)N[C@H](C(=O)OCc1nnc(-c2ccccc2)o1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@H](C(=O)OCc1nnc(o1)-c1ccccc1)[*:1]
CC(=O)N[C@H](C(=O)OCc1nnc(-c2ccccc2)o1)C1CCCC1 CC(=O)N[*:1] O=C(OCc1nnc(o1)-c1ccccc1)[C@H](C1CCCC1)[*:1]
CC(=O)N[C@H](C(=O)OCc1nnc(-c2ccccc2)o1)C1CCCC1 c1ccc(cc1)[*:1] CC(=O)N[C@H](C(=O)OCc1nnc(o1)[*:1])C1CCCC1
CCN(Cc1ccccc1)C(=O)[C@H]1C=C(c2ccccc2)N=N1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)[C@H]1C=C(N=N1)c1ccccc1
CCN(Cc1ccccc1)C(=O)[C@H]1C=C(c2ccccc2)N=N1 c1ccc(cc1)[*:1] CCN(Cc1ccccc1)C(=O)[C@H]1C=C(N=N1)[*:1]
CCN(Cc1ccccc1)C(=O)[C@H]1C=C(c2ccccc2)N=N1 c1ccc(cc1)C[*:1] CCN(C(=O)[C@H]1C=C(N=N1)c1ccccc1)[*:1]
C[C@H]1CN(S(=O)(=O)c2cnn(C)c2)C[C@H](c2ccccc2)O1 Cn1cc(cn1)[*:1] C[C@H]1CN(C[C@@H](O1)c1ccccc1)S(=O)(=O)[*:1]
C[C@H]1CN(S(=O)(=O)c2cnn(C)c2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])S(=O)(=O)c1cnn(C)c1
CC(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1 CC(=O)NC(=S)N[*:1] c1ccc(cc1)COc1cccc(c1)[*:1]
CC(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(=O)NC(=S)Nc1cccc(c1)O[*:1]
CC(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)NC(=S)Nc1cccc(c1)OC[*:1]
Cc1cncc(NC(=O)c2cc3cc(C)ccc3nc2C)c1 Cc1cncc(c1)[*:1] Cc1ccc2nc(C)c(cc2c1)C(=O)N[*:1]
C[C@@H](CO)NC(=O)[C@@H](C)Sc1ccccc1 C[C@@H](CO)[*:1] C[C@@H](Sc1ccccc1)C(=O)N[*:1]
CNC(=O)c1ccc(CS(=O)(=O)c2nccn2-c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CNC(=O)c1ccc(cc1)CS(=O)(=O)c1nccn1[*:1]
CNC(=O)c1ccc(CS(=O)(=O)c2nccn2-c2cccc(Cl)c2)cc1 CNC(=O)[*:1] O=S(=O)(Cc1ccc(cc1)[*:1])c1nccn1-c1cccc(Cl)c1
Cc1ccccc1[C@@H]1CN(C2CCSCC2)[C@H](C)CO1 C1CC(CCS1)[*:1] Cc1ccccc1[C@@H]1CN([C@H](C)CO1)[*:1]
C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)[C@@H]1COc2ccccc2O1 O=C(N[*:1])c1ccc(Cl)cc1 C[C@H](NC(=O)c1ccc(cc1)[*:1])[C@@H]1COc2ccccc2O1
C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)[C@@H]1COc2ccccc2O1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)[*:1])[C@@H]1COc2ccccc2O1
O=C(C[C@@H](O)c1ccc(Cl)cc1)NCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)NCc1ccc(cc1)[*:1]
O=C(C[C@@H](O)c1ccc(Cl)cc1)NCc1ccc(C(F)(F)F)cc1 Clc1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])NCc1ccc(cc1)C(F)(F)F
O=C(CCN1CCn2cnnc2C1)N1c2ccccc2Sc2ccccc21 c1nnc2CN(CCn12)[*:1] O=C(CC[*:1])N1c2ccccc2Sc2ccccc21
CC/[NH+]=C(/NCc1cccc(C#N)c1)N1CC[C@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)[*:1] CC/[NH+]=C(/NCc1cccc(C#N)c1)N1CC[C@@H](C1)C[*:1]
CC/[NH+]=C(/NCc1cccc(C#N)c1)N1CC[C@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)C[*:1] CC/[NH+]=C(/NCc1cccc(C#N)c1)N1CC[C@H](C1)[*:1]
CC/[NH+]=C(/NCc1cccc(C#N)c1)N1CC[C@H](Cc2cnn(C)c2)C1 N#Cc1cccc(c1)[*:1] CC/[NH+]=C(/NC[*:1])N1CC[C@H](Cc2cnn(C)c2)C1
O=C1N[C@H]2C(=O)NC(=S)N=C2N=C1/C=C(\[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C1N[C@H]2C(=O)NC(=S)N=C2N=C1/C=C(\[O-])[*:1]
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C/C=C/Cl c1ccc(cc1)[*:1] N#C[C@H]([C@@H]1CCCN1C/C=C/Cl)[*:1]
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C/C=C/Cl Cl/C=C/C[*:1] N#C[C@H](c1ccccc1)[C@@H]1CCCN1[*:1]
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C/C=C/Cl ClC=C[*:1] N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[*:1]
CC(C)N1C(=O)/C(=N/c2ccc(Br)cc2)c2ccccc21 CC(C)[*:1] O=C1/C(=N/c2ccc(Br)cc2)c2ccccc2N1[*:1]
CC(C)N1C(=O)/C(=N/c2ccc(Br)cc2)c2ccccc21 Brc1ccc(cc1)[*:1] CC(C)N1C(=O)C(=N[*:1])c2ccccc21
COC(=O)c1ccc(NCC(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)c1 COC(=O)[*:1] Cc1cc(ccc1NCC(=O)N1CCN(CC1)C(=O)c1cccs1)[*:1]
COC(=O)c1ccc(NCC(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)c1 c1csc(c1)[*:1] COC(=O)c1ccc(NCC(=O)N2CCN(CC2)C(=O)[*:1])c(C)c1
C[C@H](O)CCCc1nccs1 C[C@H](O)[*:1] c1csc(CCC[*:1])n1
C[C@H](NC(=O)NCc1ccnc(OC2CCC2)c1)C(=O)N1CCCC[C@@H]1C C1CC(C1)O[*:1] C[C@H](NC(=O)NCc1ccnc(c1)[*:1])C(=O)N1CCCC[C@@H]1C
C[C@H](NC(=O)NCc1ccnc(OC2CCC2)c1)C(=O)N1CCCC[C@@H]1C C1CC(C1)[*:1] C[C@H](NC(=O)NCc1ccnc(c1)O[*:1])C(=O)N1CCCC[C@@H]1C
C[C@H](NC(=O)NCc1ccnc(OC2CCC2)c1)C(=O)N1CCCC[C@@H]1C C[C@H]1CCCCN1C(=O)[*:1] C[C@H](NC(=O)NCc1ccnc(c1)OC1CCC1)[*:1]
CC(C)N1C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O O=[N+]([O-])[*:1] CC(C)N1C(=O)C(=O)N(Cc2ccccc2[*:1])C1=O
CC(C)N1C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O CC(C)[*:1] O=C1C(=O)N(C(=O)N1Cc1ccccc1[N+](=O)[O-])[*:1]
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC=CCC1 CN(C)[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)[C@H]1CC=CCC1
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC=CCC1 FC(F)(F)[*:1] CN(C)c1ccc(cc1NC(=O)[C@H]1CC=CCC1)[*:1]
COc1ccc(C(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)C(=O)[*:1]
O=C(CSc1nnc(-c2ccc[nH]2)o1)NCc1ccc2c(c1)OCO2 c1c[nH]c(c1)[*:1] O=C(CSc1nnc(o1)[*:1])NCc1ccc2OCOc2c1
COc1cccc(NC(=O)COc2cc(C)ccc2C(C)(C)C)c1 COc1cccc(c1)[*:1] Cc1ccc(c(c1)OCC(=O)N[*:1])C(C)(C)C
COc1cccc(NC(=O)COc2cc(C)ccc2C(C)(C)C)c1 CC(C)(C)[*:1] COc1cccc(c1)NC(=O)COc1cc(C)ccc1[*:1]
CC(C)(C)[C@@]1(CCCc2ccccc2)CCC[NH2+]1 CC(C)(C)[*:1] c1ccc(cc1)CCC[C@]1(CCC[NH2+]1)[*:1]
CC(C)(C)[C@@]1(CCCc2ccccc2)CCC[NH2+]1 c1ccc(cc1)[*:1] CC(C)(C)[C@]1(CCC[NH2+]1)CCC[*:1]
O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)C[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1C[*:1])c1ccccc1
O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)CC[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1])c1ccccc1
O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1CC[*:1])c1ccccc1
O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1)[*:1]
CCC(CC)Oc1ccc(C)cc1[C@H](C)O CCC(CC)[*:1] Cc1ccc(O[*:1])c(c1)[C@H](C)O
CCC(CC)Oc1ccc(C)cc1[C@H](C)O C[C@H](O)[*:1] CCC(CC)Oc1ccc(C)cc1[*:1]
COc1ccc(CCC(=O)N2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)cc1C CN(C)C(=O)[*:1] COc1ccc(cc1C)CCC(=O)N1CCC[C@H](C1)c1ccc(cn1)[*:1]
COc1ccc(CCC(=O)N2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)cc1C COc1ccc(cc1C)[*:1] CN(C)C(=O)c1ccc(nc1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
COc1ccc(CCC(=O)N2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)cc1C COc1ccc(cc1C)C[*:1] CN(C)C(=O)c1ccc(nc1)[C@@H]1CCCN(C1)C(=O)C[*:1]
COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1Cl Cc1ccc(cc1C)[*:1] COc1ccc(cc1Cl)N1C(=O)[C@@H]2[C@@H](N=NN2CC(=O)N[*:1])C1=O
COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1ccc(cc1C)NC(=O)CN1N=N[C@H]2C(=O)N(C(=O)[C@H]21)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N1CSC[C@@H]1C(=O)NCC1CC1 C1CC1[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CSC[C@@H]1C(=O)NC[*:1]
C[C@@H]1OCC[C@H]1C(=O)N1CSC[C@@H]1C(=O)NCC1CC1 C1CC1C[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CSC[C@@H]1C(=O)N[*:1]
CCOC(=O)c1c(N)n(CC[NH+]2CCCCC2)c2nc3ccccc3nc12 CCOC(=O)[*:1] Nc1c(c2nc3ccccc3nc2n1CC[NH+]1CCCCC1)[*:1]
Cc1ccc(-c2nnn(C[NH+]3CCN(Cc4ccccc4)CC3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnn(C[NH+]2CCN(CC2)C[*:1])n1
Cc1ccc(-c2nnn(C[NH+]3CCN(Cc4ccccc4)CC3)n2)cc1 Cc1ccc(cc1)[*:1] c1ccc(cc1)CN1CC[NH+](CC1)Cn1nnc(n1)[*:1]
Cc1ccc(-c2nnn(C[NH+]3CCN(Cc4ccccc4)CC3)n2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1nnn(C[NH+]2CCN(CC2)[*:1])n1
COc1cccc(-c2csc(NC(=O)Nc3ccccc3)n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1csc(n1)NC(=O)N[*:1]
CC(C)COc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 C1CC1[*:1] CC(C)COc1ccc(cc1)CNC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CC(C)COc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)OC[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
CC(C)COc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 CC(C)C[*:1] O=C(NCc1ccc(cc1)O[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
CC(C)COc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 CC(C)CO[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
COc1ccc(/C=C2\Oc3c(ccc4c3CN([C@@H]3CCS(=O)(=O)C3)CO4)C2=O)cc1 COc1ccc(cc1)[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(Cc12)[C@@H]1CCS(=O)(=O)C1
CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@@H]2CCOc3ccccc32)c1 CC(=O)N[*:1] Cc1ccc(cc1S(=O)(=O)N[C@@H]1CCOc2ccccc21)[*:1]
CCCCNC(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCC3 CCCC[*:1] O=C(C[C@H]1CSc2nc3CCCc3c(=O)n21)N[*:1]
CCCCNC(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCC3 CCCCNC(=O)[*:1] O=c1c2CCCc2nc2SC[C@H](C[*:1])n21
CCCCNC(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCC3 CCC[*:1] O=C(C[C@H]1CSc2nc3CCCc3c(=O)n21)NC[*:1]
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc[nH]3)c(=O)n2[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc[nH]3)c(=O)n2[C@H]1[*:1]
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc[nH]3)c(=O)n2[C@@H]1c1ccc(OC)cc1 CCOC(=O)[*:1] COc1ccc(cc1)[C@@H]1C(=C(C)N=c2sc(=Cc3ccc[nH]3)c(=O)n21)[*:1]
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc[nH]3)c(=O)n2[C@@H]1c1ccc(OC)cc1 c1c[nH]c(c1)[*:1] CCOC(=O)C1=C(C)N=c2sc(=C[*:1])c(=O)n2[C@@H]1c1ccc(cc1)OC
Clc1ccc(C[C@H](NCc2cccnc2)c2ccccc2)cc1 c1cncc(c1)C[*:1] Clc1ccc(cc1)C[C@H](N[*:1])c1ccccc1
Clc1ccc(C[C@H](NCc2cccnc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Clc1ccc(cc1)C[C@H](NCc1cccnc1)[*:1]
Clc1ccc(C[C@H](NCc2cccnc2)c2ccccc2)cc1 c1cncc(c1)[*:1] Clc1ccc(cc1)C[C@H](NC[*:1])c1ccccc1
Clc1ccc(C[C@H](NCc2cccnc2)c2ccccc2)cc1 Clc1ccc(cc1)[*:1] c1ccc(cc1)[C@H](C[*:1])NCc1cccnc1
Cc1ccc(-c2n[nH]cc2CNCc2ccnc(OC3CCCC3)c2)o1 Cc1ccc(o1)[*:1] c1cc(cc(n1)OC1CCCC1)CNCc1c[nH]nc1[*:1]
Cc1ccc(-c2n[nH]cc2CNCc2ccnc(OC3CCCC3)c2)o1 C1CCC(C1)O[*:1] Cc1ccc(o1)-c1n[nH]cc1CNCc1ccnc(c1)[*:1]
Cc1ccc(-c2n[nH]cc2CNCc2ccnc(OC3CCCC3)c2)o1 C1CCC(C1)[*:1] Cc1ccc(o1)-c1n[nH]cc1CNCc1ccnc(c1)O[*:1]
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1F c1ccc(cc1)[*:1] C[NH+](C)C[C@@H](C[*:1])NC(=O)Nc1ccc(F)cc1F
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[*:1]
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1F c1ccc(cc1)C[*:1] C[NH+](C)C[C@@H](NC(=O)Nc1ccc(F)cc1F)[*:1]
CCOc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 CCO[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N/N=C/c1ccccc1[*:1]
CCOc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 CCOc1ccccc1[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NN=C[*:1]
CCOc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CCOc1ccccc1/C=N/NC(=O)c1ccc(cc1)NC(=O)[*:1]
CCOc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 Cc1cccc(c1)C(=O)N[*:1] CCOc1ccccc1/C=N/NC(=O)c1ccc(cc1)[*:1]
FC(F)(F)c1ccnc(Oc2ccc3nccnc3c2)n1 FC(F)(F)[*:1] c1cc(nc(n1)Oc1ccc2nccnc2c1)[*:1]
COc1cc(C(=O)NC(=S)N2CCCC[C@H]2c2cccnc2)cc(OC)c1OC c1cncc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)NC(=S)N1CCCC[C@@H]1[*:1]
CCc1ccc(NC(=O)Cc2csc(COc3cccc(C)c3)n2)cc1 Cc1cccc(c1)O[*:1] CCc1ccc(cc1)NC(=O)Cc1csc(C[*:1])n1
CCc1ccc(NC(=O)Cc2csc(COc3cccc(C)c3)n2)cc1 CCc1ccc(cc1)[*:1] Cc1cccc(c1)OCc1nc(cs1)CC(=O)N[*:1]
CCc1ccc(NC(=O)Cc2csc(COc3cccc(C)c3)n2)cc1 Cc1cccc(c1)[*:1] CCc1ccc(cc1)NC(=O)Cc1csc(CO[*:1])n1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2
CN(C)N(C(=O)/C=C/c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 Brc1cccc(c1)[*:1] CN(C)N(C(=O)C=C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1[nH+]c([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)nc2c1CCCN2Cc1ccccn1 c1ccc(nc1)[*:1] Cc1[nH+]c(nc2c1CCCN2C[*:1])[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1
Cc1[nH+]c([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)nc2c1CCCN2Cc1ccccn1 c1ccc(C[*:1])nc1 Cc1[nH+]c(nc2c1CCCN2[*:1])[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1
COc1ccc(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@@H]2CCCC4=c5ccccc5=[NH+][C@H]42)C3)nn1 COc1ccc(nn1)[*:1] Cc1cc2C[C@H](CNC(=O)[C@@H]3CCCC4=c5ccccc5=[NH+][C@H]43)Oc2c(c1)[*:1]
COC(=O)C1(NCc2nnc(-c3ccco3)o2)CCCC1 c1coc(c1)[*:1] COC(=O)C1(CCCC1)NCc1nnc(o1)[*:1]
COC(=O)C1(NCc2nnc(-c3ccco3)o2)CCCC1 COC(=O)[*:1] c1coc(c1)-c1nnc(CNC2(CCCC2)[*:1])o1
CC[C@@H](C)n1ncc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c1C1CC1 CC[C@@H](C)[*:1] NC(=O)[C@H]1CCN(C(=O)c2cnn(c2C2CC2)[*:1])c2ccccc21
CC[C@@H](C)n1ncc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c1C1CC1 NC(=O)[*:1] CC[C@@H](C)n1ncc(C(=O)N2CC[C@H](c3ccccc32)[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c1[*:1]
Cc1sc2nc(CN(Cc3ccccc3)CC(F)F)[nH]c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2nc(CN(CC(F)F)C[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CN(Cc3ccccc3)CC(F)F)[nH]c(=O)c2c1C FC(F)C[*:1] Cc1sc2nc(CN(Cc3ccccc3)[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CN(Cc3ccccc3)CC(F)F)[nH]c(=O)c2c1C c1ccc(cc1)C[*:1] Cc1sc2nc(CN(CC(F)F)[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CN(Cc3ccccc3)CC(F)F)[nH]c(=O)c2c1C FC(F)[*:1] Cc1sc2nc(CN(Cc3ccccc3)C[*:1])[nH]c(=O)c2c1C
O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCOC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1cnn(c1)[*:1])N1CCOC[C@@H]1c1ccccc1
O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCOC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1cnn(c1)-c1ccccc1)N1CCOC[C@H]1[*:1]
CCN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 c1ccc(cc1)C[*:1] CCN(C(=O)CN(C)S(=O)(=O)c1cc2OCC(=O)Nc2cc1C)[*:1]
CCN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CN(C)S(=O)(=O)c1cc2OCC(=O)Nc2cc1C
CCCN1CCO[C@H](c2nc(C)cc(C[NH2+]C3CC3)n2)C1 CCC[*:1] Cc1cc(C[NH2+]C2CC2)nc(n1)[C@@H]1CN(CCO1)[*:1]
CCCN1CCO[C@H](c2nc(C)cc(C[NH2+]C3CC3)n2)C1 C1CC1[*:1] CCCN1CCO[C@@H](C1)c1nc(C)cc(C[NH2+][*:1])n1
COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)c(Cl)c2)N(Cc2ccncc2)C3=O)cc1 c1cc(ccn1)C[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N([C@H](c3ccc(Cl)c(Cl)c3)c12)[*:1]
COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)c(Cl)c2)N(Cc2ccncc2)C3=O)cc1 COc1ccc(cc1)[*:1] O=C1c2[nH]nc(c2[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccncc1)[*:1]
COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)c(Cl)c2)N(Cc2ccncc2)C3=O)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N(C[*:1])[C@H](c3ccc(Cl)c(Cl)c3)c12
COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)c(Cl)c2)N(Cc2ccncc2)C3=O)cc1 Clc1ccc(cc1Cl)[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N(Cc3ccncc3)[C@H](c12)[*:1]
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCO[C@@H]1C N#Cc1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)[C@H]1CCO[C@@H]1C)OC[*:1]
C[C@H]1N=N[C@@H]2C(=O)N(CC3CCCCC3)C(=O)[C@H]21 C1CCC(CC1)[*:1] C[C@H]1N=N[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]21
C[C@@H]1CC(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 CC(C)(C)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N[C@@H](C#N)c1ccc(cc1)[*:1]
CN(CCn1cnc2cccc(Br)c2c1=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CCn1cnc2cccc(Br)c2c1=O)[*:1]
Cn1c(C2CC2)[nH+]c2c1CCN(Cc1ccc(-n3cccn3)cc1)C2 C1CC1[*:1] Cn1c([nH+]c2CN(CCc21)Cc1ccc(cc1)-n1cccn1)[*:1]
Cn1c(C2CC2)[nH+]c2c1CCN(Cc1ccc(-n3cccn3)cc1)C2 c1cnn(c1)[*:1] Cn1c([nH+]c2CN(CCc21)Cc1ccc(cc1)[*:1])C1CC1
Cc1nc(C)c(C(=O)Nc2ccc(Oc3cccnc3)nc2)o1 c1cncc(c1)O[*:1] Cc1nc(C)c(o1)C(=O)Nc1ccc(nc1)[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(Oc3cccnc3)nc2)o1 c1cncc(c1)[*:1] Cc1nc(C)c(o1)C(=O)Nc1ccc(nc1)O[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(Oc3cccnc3)nc2)o1 Cc1nc(C)c(o1)[*:1] O=C(Nc1ccc(nc1)Oc1cccnc1)[*:1]
Cc1cc([C@H](C)NC(=O)c2ccc(NC(=O)NC3CC3)cc2)c(C)s1 C1CC1[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)c1ccc(cc1)NC(=O)N[*:1]
Cc1cc([C@H](C)NC(=O)c2ccc(NC(=O)NC3CC3)cc2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)NC1CC1)[*:1]
Cc1cc([C@H](C)NC(=O)c2ccc(NC(=O)NC3CC3)cc2)c(C)s1 O=C(NC1CC1)N[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
CCNC(=O)c1ccc(N[C@H]2CCCN(c3ccc(C)cc3)C2=O)nc1 Cc1ccc(cc1)[*:1] CCNC(=O)c1ccc(nc1)N[C@H]1CCCN(C1=O)[*:1]
CCNC(=O)c1ccc(N[C@H]2CCCN(c3ccc(C)cc3)C2=O)nc1 CCNC(=O)[*:1] Cc1ccc(cc1)N1CCC[C@H](Nc2ccc(cn2)[*:1])C1=O
CNC(=O)c1cc(NC(=O)NC[C@H]2CCCc3ccccc32)ccc1Cl CNC(=O)[*:1] O=C(NC[C@H]1CCCc2ccccc21)Nc1ccc(Cl)c(c1)[*:1]
CCN[C@@H](COC)C1([NH+](C)C)CCCC1 COC[*:1] CCN[C@@H](C1(CCCC1)[NH+](C)C)[*:1]
CCN[C@@H](COC)C1([NH+](C)C)CCCC1 CCN[*:1] COC[C@@H](C1(CCCC1)[NH+](C)C)[*:1]
CC[C@@H](NC(=O)NNC(=O)CC(C)(C)C)c1nc(C(F)(F)F)cs1 CC(C)(C)[*:1] CC[C@@H](NC(=O)NNC(=O)C[*:1])c1nc(cs1)C(F)(F)F
CC[C@@H](NC(=O)NNC(=O)CC(C)(C)C)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NC(=O)NNC(=O)CC(C)(C)C)c1nc(cs1)[*:1]
CC[C@@H](NC(=O)NNC(=O)CC(C)(C)C)c1nc(C(F)(F)F)cs1 CC(C)(C)C[*:1] CC[C@@H](NC(=O)NNC(=O)[*:1])c1nc(cs1)C(F)(F)F
N#Cc1ccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)o1 C1CO[C@@H](C1)[*:1] N#Cc1ccc(CN2CCO[C@@H](C2)[*:1])o1
C[C@H]1CC(C)(C)NC(=S)N1CCCC(=O)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@H]1CC(C)(C)NC(=S)N1CCCC(=O)N[*:1]
COc1ccc2c(c1)CCc1c(C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)n[nH]c1-2 Cc1ccc(cc1)[*:1] COc1ccc2c(c1)CCc1c(n[nH]c1-2)C(=O)NCC1CC[NH+](CC1)C[*:1]
COc1ccc2c(c1)CCc1c(C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)n[nH]c1-2 Cc1ccc(cc1)C[*:1] COc1ccc2c(c1)CCc1c(n[nH]c1-2)C(=O)NCC1CC[NH+](CC1)[*:1]
CC[C@@H]1CCC[C@H](NC(=O)NCCCCN2CCOCC2)C1 C1CN(CCO1)[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)NCCCC[*:1]
CC[C@@H]1CCC[C@H](NC(=O)NCCCCN2CCOCC2)C1 C1CN(CCO1)C[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)NCCC[*:1]
C[C@@H]1C[C@H]1NC(=O)CSc1nnnn1C1CC1 C1CC1[*:1] C[C@@H]1C[C@H]1NC(=O)CSc1nnnn1[*:1]
C[C@@H]1C[C@H]1NC(=O)CSc1nnnn1C1CC1 C[C@@H]1C[C@@H]1[*:1] O=C(CSc1nnnn1C1CC1)N[*:1]
CCCCNC(=O)NNC(=O)C1CCCCC1 CCC[*:1] O=C(NC[*:1])NNC(=O)C1CCCCC1
CCCCNC(=O)NNC(=O)C1CCCCC1 CCCC[*:1] O=C(NNC(=O)C1CCCCC1)N[*:1]
CNC(=O)O/N=C(\C)Cc1nnn(-c2cc(C)on2)n1 Cc1cc(no1)[*:1] CNC(=O)O/N=C(\C)Cc1nnn(n1)[*:1]
Cc1ccc(Nc2ncnc(Sc3ccccc3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Sc1ccccc1
Cc1ccc(Nc2ncnc(Sc3ccccc3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)Nc1ncnc(Sc2ccccc2)c1[*:1]
Cc1ccc(Nc2ncnc(Sc3ccccc3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1Sc1ccccc1)N[*:1]
Cc1ccc(Nc2ncnc(Sc3ccccc3)c2[N+](=O)[O-])cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Nc1ncnc(S[*:1])c1[N+](=O)[O-]
Cc1ccc(Nc2ncnc(Sc3ccccc3)c2[N+](=O)[O-])cc1 c1ccc(cc1)S[*:1] Cc1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
CCC[NH2+][C@H](c1cncnc1)[C@H]1CN(C(C)C)CCO1 CC(C)[*:1] CCC[NH2+][C@H](c1cncnc1)[C@H]1CN(CCO1)[*:1]
CCC[NH2+][C@H](c1cncnc1)[C@H]1CN(C(C)C)CCO1 c1ncc(cn1)[*:1] CCC[NH2+][C@H]([C@H]1CN(CCO1)C(C)C)[*:1]
CCC[NH2+][C@H](c1cncnc1)[C@H]1CN(C(C)C)CCO1 CCC[*:1] CC(C)N1CCO[C@H](C1)[C@H]([NH2+][*:1])c1cncnc1
NC(=O)CN1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 NC(=O)C[*:1] O=C([C@H]1CCCO[C@H]1c1ccccc1)N1CCN(CC1)[*:1]
NC(=O)CN1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)CN1CCN(CC1)C(=O)[C@H]1CCCO[C@@H]1[*:1]
NC(=O)CN1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 NC(=O)[*:1] O=C([C@H]1CCCO[C@H]1c1ccccc1)N1CCN(CC1)C[*:1]
Cc1ccc2c(=O)cc(C(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)oc2c1C Clc1cccc(c1)C[*:1] Cc1ccc2c(=O)cc(oc2c1C)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc2c(=O)cc(C(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)oc2c1C Clc1cccc(c1)[*:1] Cc1ccc2c(=O)cc(oc2c1C)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Brc1cccc(OCCn2ccnc2)c1 c1cn(cn1)[*:1] Brc1cccc(c1)OCC[*:1]
C=CCCCN(C)C(=O)c1oc2c(C)cccc2c1C C=CCC[*:1] Cc1c(oc2c(C)cccc12)C(=O)N(C)C[*:1]
C=CCCCN(C)C(=O)c1oc2c(C)cccc2c1C C=CCCC[*:1] Cc1c(oc2c(C)cccc12)C(=O)N(C)[*:1]
C=CCCCN(C)C(=O)c1oc2c(C)cccc2c1C C=CC[*:1] Cc1c(oc2c(C)cccc12)C(=O)N(C)CC[*:1]
C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(C(=O)NC2CC2)C1 C1CC1[*:1] C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
Cc1nc(-c2cccc(CNC(=O)C3([NH+](C)C)CCC3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[NH+](C)C1(CCC1)C(=O)NCc1cccc(c1)[*:1]
CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1c(OC)cccc1OC c1ccc(cc1)[*:1] CCN(Cc1nc(no1)[*:1])C(=O)c1c(cccc1OC)OC
NC(=O)[C@@H]1COCCN1C(=O)CCc1c(F)cccc1F NC(=O)[*:1] O=C(CCc1c(F)cccc1F)N1CCOC[C@H]1[*:1]
C=CCC[C@@H](C)OC(=O)[C@H]1CC1(Cl)Cl C=CC[*:1] C[C@H](C[*:1])OC(=O)[C@H]1CC1(Cl)Cl
C=CCC[C@@H](C)OC(=O)[C@H]1CC1(Cl)Cl C=CCC[*:1] C[C@@H](OC(=O)[C@H]1CC1(Cl)Cl)[*:1]
Cc1nn(C)c(NNC(=O)c2c(Cl)cccc2Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)c(NNC(=O)c2c(Cl)cccc2Cl)c1[*:1]
Cc1cc(C(=O)NCC2(C)Cc3ccccc3C2)ncn1 Cc1cc(ncn1)[*:1] CC1(CNC(=O)[*:1])Cc2ccccc2C1
O=C(NN1CCOCC1)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(NN1CCOCC1)c1ccc(cc1)[*:1]
COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@@H]2CCS(=O)(=O)C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(c1cc2ccccc2oc1=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CC[C@@H](NC(=O)[C@H]1CCO[C@@H]1C)c1ccc(OC(F)F)cc1 FC(F)O[*:1] CC[C@@H](NC(=O)[C@H]1CCO[C@@H]1C)c1ccc(cc1)[*:1]
CC[C@@H](NC(=O)[C@H]1CCO[C@@H]1C)c1ccc(OC(F)F)cc1 FC(F)[*:1] CC[C@@H](NC(=O)[C@H]1CCO[C@@H]1C)c1ccc(cc1)O[*:1]
C[C@H](CNC(=O)NNc1cccc(C#N)c1)c1nc(-c2ccccc2)no1 N#Cc1cccc(c1)[*:1] C[C@H](CNC(=O)NN[*:1])c1nc(no1)-c1ccccc1
C[C@H](CNC(=O)NNc1cccc(C#N)c1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)NNc1cccc(C#N)c1)c1nc(no1)[*:1]
CCOC(=O)C[NH+](CC(=O)N1CCc2ccccc2C1)C1CCCC1 CCOC(=O)C[*:1] O=C(C[NH+](C1CCCC1)[*:1])N1CCc2ccccc2C1
CCOC(=O)C[NH+](CC(=O)N1CCc2ccccc2C1)C1CCCC1 CCOC(=O)[*:1] O=C(C[NH+](C[*:1])C1CCCC1)N1CCc2ccccc2C1
C[C@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 C[C@H](c1ccco1)[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N(C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 C1CC1[*:1] C[C@H](c1ccco1)N(C(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 O=[N+]([O-])[*:1] C[C@H](c1ccco1)N(C(=O)c1ccc(cc1)[*:1])C1CC1
C[C@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 c1coc(c1)[*:1] C[C@H](N(C(=O)c1ccc(cc1)[N+](=O)[O-])C1CC1)[*:1]
O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2C=C(c3ccccc3)N=N2)CC1 Clc1ccccc1[*:1] O=C([C@@H]1C=C(N=N1)c1ccccc1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2C=C(c3ccccc3)N=N2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1Cl)N1CCN(CC1)C(=O)[C@@H]1C=C(N=N1)[*:1]
CCN1C(=O)c2cccc3cc(S(=O)(=O)NCc4ccccc4)cc(c23)C1=O c1ccc(cc1)C[*:1] CCN1C(=O)c2cccc3cc(cc(C1=O)c23)S(=O)(=O)N[*:1]
CCN1C(=O)c2cccc3cc(S(=O)(=O)NCc4ccccc4)cc(c23)C1=O c1ccc(cc1)[*:1] CCN1C(=O)c2cccc3cc(cc(C1=O)c23)S(=O)(=O)NC[*:1]
CCCC1(CCC)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O CCC[*:1] CCCC1(NC(=O)N(Cc2csc(c2)[N+](=O)[O-])C1=O)[*:1]
CCCC1(CCC)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] CCCC1(CCC)NC(=O)N(Cc2csc(c2)[*:1])C1=O
CCc1cnc(CCNC(=O)NCCc2ccc3c(c2)CCO3)s1 CCc1cnc(s1)[*:1] O=C(NCCc1ccc2OCCc2c1)NCC[*:1]
CCc1cnc(CCNC(=O)NCCc2ccc3c(c2)CCO3)s1 CCc1cnc(C[*:1])s1 O=C(NCCc1ccc2OCCc2c1)NC[*:1]
O=C(COc1ccc(Br)cc1)Nc1c(-c2ccc(F)cc2)nc2sccn12 Brc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1c(nc2sccn12)-c1ccc(F)cc1
O=C(COc1ccc(Br)cc1)Nc1c(-c2ccc(F)cc2)nc2sccn12 Brc1ccc(cc1)OC[*:1] O=C(Nc1c(nc2sccn12)-c1ccc(F)cc1)[*:1]
O=C(COc1ccc(Br)cc1)Nc1c(-c2ccc(F)cc2)nc2sccn12 Fc1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1)Nc1c(nc2sccn12)[*:1]
O=C(COc1ccc(Br)cc1)Nc1c(-c2ccc(F)cc2)nc2sccn12 Brc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1c(nc2sccn12)-c1ccc(F)cc1
C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(c1)[*:1]
Cc1cccnc1C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cccnc1C(=O)c1cccc(c1)[*:1]
Cc1cn2c(=O)c(C(=O)N(C)Cc3ccc(F)cc3F)cnc2s1 Fc1ccc(c(F)c1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N(C)C[*:1]
Cc1ccc(N2CCCC2=O)c(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 O=C1CCCN1[*:1] Cc1ccc(c(c1)C(=O)N1CCN(CC1)[C@@H](C#N)C(C)C)[*:1]
Cc1ccc(N2CCCC2=O)c(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 CC(C)[*:1] Cc1ccc(c(c1)C(=O)N1CCN(CC1)[C@@H](C#N)[*:1])N1CCCC1=O
CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 CC(C)(C)[C@@H](O)C[*:1] CC(=O)N1CSC[C@@H]1C(=O)N1CCN(CC1)[*:1]
CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 CC(C)(C)[C@@H](O)[*:1] CC(=O)N1CSC[C@@H]1C(=O)N1CCN(CC1)C[*:1]
CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 CC(C)(C)[*:1] CC(=O)N1CSC[C@@H]1C(=O)N1CCN(CC1)C[C@H](O)[*:1]
CC(=O)N1CCC(C(=O)NCC2(c3ccccc3)CCCC2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)C(=O)NCC1(CCCC1)[*:1]
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)cc1 CCO[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1cc(C(=O)Nc2ccc(cc2)[*:1])n(C)c1
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)cc1 CCOc1ccc(cc1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1cc(C(=O)N[*:1])n(C)c1
Cc1ccc(C)c(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]32)c1 Cc1ccc(C)c(c1)[*:1] O=C(CN1N=N[C@@H]2C(=O)N(C(=O)[C@H]21)c1ccc(F)c(Cl)c1)N[*:1]
Cc1ccc(C)c(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]32)c1 Fc1ccc(cc1Cl)[*:1] Cc1ccc(C)c(c1)NC(=O)CN1N=N[C@@H]2C(=O)N(C(=O)[C@H]21)[*:1]
CCCc1ccc(C(=O)N(C(C)C)C2CCOCC2)cc1 CCC[*:1] CC(C)N(C(=O)c1ccc(cc1)[*:1])C1CCOCC1
CCCc1ccc(C(=O)N(C(C)C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] CCCc1ccc(cc1)C(=O)N(C(C)C)[*:1]
CCCc1ccc(C(=O)N(C(C)C)C2CCOCC2)cc1 CC(C)[*:1] CCCc1ccc(cc1)C(=O)N(C1CCOCC1)[*:1]
COc1cccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])c1 COc1cccc(c1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1ccccc1
COc1cccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])c1 c1ccc(cc1)[*:1] COc1cccc(c1)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
COc1cccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cccc(c1)Nc1ncnc(Nc2ccccc2)c1[*:1]
COc1cccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])c1 c1ccc(cc1)N[*:1] COc1cccc(c1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
C[C@@H](c1ccc(Cl)s1)n1c(N)nc2cccnc21 Clc1ccc(s1)[*:1] C[C@@H](n1c(N)nc2cccnc21)[*:1]
CC(C)Oc1ccccc1NC(=O)Cn1cnc2ccccc2c1=O CC(C)[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1O[*:1]
CC(C)Oc1ccccc1NC(=O)Cn1cnc2ccccc2c1=O CC(C)O[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1[*:1]
CO[C@@H]1C(=O)C(C(C)=O)=C(O)[C@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@@H]12 CC(=O)[*:1] CO[C@@H]1C(=O)C(=C(O)[C@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@@H]12)[*:1]
C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1nc2c(s1)CCCC2 CS(=O)(=O)C[*:1] C[C@@H]([NH2+]CC1(CC1)[*:1])c1nc2CCCCc2s1
C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1nc2c(s1)CCCC2 CS(=O)(=O)[*:1] C[C@@H]([NH2+]CC1(CC1)C[*:1])c1nc2CCCCc2s1
CCn1ccc(C(=O)Nc2ccc3ncnc(N4CCCC4)c3c2)n1 CCn1ccc(n1)[*:1] O=C(Nc1ccc2ncnc(c2c1)N1CCCC1)[*:1]
CCn1ccc(C(=O)Nc2ccc3ncnc(N4CCCC4)c3c2)n1 C1CCN(C1)[*:1] CCn1ccc(n1)C(=O)Nc1ccc2ncnc(c2c1)[*:1]
C[C@H](c1ncc(C(C)(C)C)o1)[S@](=O)Cc1ccon1 c1cc(C[*:1])no1 C[C@H](c1ncc(o1)C(C)(C)C)[S@](=O)[*:1]
C[C@H](c1ncc(C(C)(C)C)o1)[S@](=O)Cc1ccon1 CC(C)(C)[*:1] C[C@H](c1ncc(o1)[*:1])[S@](=O)Cc1ccon1
C[C@H](c1ncc(C(C)(C)C)o1)[S@](=O)Cc1ccon1 c1cc(no1)[*:1] C[C@H](c1ncc(o1)C(C)(C)C)[S@](=O)C[*:1]
Cc1cc(C)n2nc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)nc2n1 c1cn2cc(nc2s1)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] C[C@H](NC(=O)[*:1])c1ccc(F)cc1
C[C@H](NC(=O)CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(F)cc1
CC(C)CCC(=O)NCC(=O)Nc1ccc(C(F)(F)F)cc1 CC(C)C[*:1] O=C(C[*:1])NCC(=O)Nc1ccc(cc1)C(F)(F)F
CC(C)CCC(=O)NCC(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)CCC(=O)NCC(=O)Nc1ccc(cc1)[*:1]
CC(C)CCC(=O)NCC(=O)Nc1ccc(C(F)(F)F)cc1 CC(C)CC[*:1] O=C(CNC(=O)[*:1])Nc1ccc(cc1)C(F)(F)F
CC(C)CCC(=O)NCC(=O)Nc1ccc(C(F)(F)F)cc1 CC(C)[*:1] O=C(CC[*:1])NCC(=O)Nc1ccc(cc1)C(F)(F)F
CC[C@@H](NC(=O)Nc1ccc(C(=O)NC)cc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)Nc1ccc(cc1)C(=O)NC)[*:1]
CC[C@@H](NC(=O)Nc1ccc(C(=O)NC)cc1)c1ccc(C)cc1 CNC(=O)[*:1] CC[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccc(C)cc1
CC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)[O-] O=C([O-])[*:1] CC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(cc2oc1=O)OC)[*:1]
CC(C)c1ccc(COc2cccc(-c3nnco3)c2)cc1 c1nnc(o1)[*:1] CC(C)c1ccc(cc1)COc1cccc(c1)[*:1]
CC(C)c1ccc(COc2cccc(-c3nnco3)c2)cc1 CC(C)[*:1] c1cc(cc(c1)-c1nnco1)OCc1ccc(cc1)[*:1]
NC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)o1 O=C1NCCN1[*:1] NC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(c2)[*:1])o1
NC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)o1 NC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])c1ccc(Cl)c(c1)N1CCNC1=O
NC(=O)c1ccc(CNC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)o1 NC(=O)c1ccc(o1)[*:1] O=C(NC[*:1])c1ccc(Cl)c(c1)N1CCNC1=O
CC1(C)[C@@]2(CC[C@@H]2C(=O)NCc2ccco2)[C@]1(C)C(=O)[O-] c1coc(c1)[*:1] CC1(C)[C@@]2(CC[C@@H]2C(=O)NC[*:1])[C@]1(C)C(=O)[O-]
CC1(C)[C@@]2(CC[C@@H]2C(=O)NCc2ccco2)[C@]1(C)C(=O)[O-] c1coc(c1)C[*:1] CC1(C)[C@@]2(CC[C@@H]2C(=O)N[*:1])[C@]1(C)C(=O)[O-]
C[C@H](CCl)CS(=O)(=O)N1CCCNC(=O)C1 C[C@H](CCl)C[*:1] O=C1CN(CCCN1)S(=O)(=O)[*:1]
C[C@H](CCl)CS(=O)(=O)N1CCCNC(=O)C1 C[C@H](CCl)[*:1] O=C1CN(CCCN1)S(=O)(=O)C[*:1]
COc1cccc([C@@H]2CN(C(=O)NCC(C)(C)c3ccncc3)CCO2)c1 COc1cccc(c1)[*:1] CC(C)(CNC(=O)N1CCO[C@@H](C1)[*:1])c1ccncc1
COc1cccc([C@@H]2CN(C(=O)NCC(C)(C)c3ccncc3)CCO2)c1 CC(C)(c1ccncc1)[*:1] COc1cccc(c1)[C@@H]1CN(CCO1)C(=O)NC[*:1]
COc1cccc([C@@H]2CN(C(=O)NCC(C)(C)c3ccncc3)CCO2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)[C@@H]1CN(CCO1)C(=O)NCC(C)(C)[*:1]
CCSc1nc2n(n1)[C@@H](c1ccc3c(c1)OCCCO3)C(C(C)=O)=C(C)N2 CC(=O)[*:1] CCSc1nc2NC(C)=C([C@H](c3ccc4OCCCOc4c3)n2n1)[*:1]
CCSc1nc2n(n1)[C@@H](c1ccc3c(c1)OCCCO3)C(C(C)=O)=C(C)N2 CCS[*:1] CC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1ccc2OCCCOc2c1)[*:1]
Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)Cn1nc(C(C)(C)C)ccc1=O CC(C)(C)[*:1] Cc1cc(ccc1OC[C@@H](O)Cn1nc(ccc1=O)C(C)(C)C)[*:1]
Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)Cn1nc(C(C)(C)C)ccc1=O CC(C)(C)[*:1] Cc1cc(ccc1OC[C@@H](O)Cn1nc(ccc1=O)[*:1])C(C)(C)C
CC(C)[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)CCO2 O=C1CCCN1[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc2OCCc2c1
CC(C)[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)CCO2 c1cc2OCCc2cc1[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)N1CCCC1=O)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)CCO2 CC(C)[*:1] O=C1CCCN1c1ccc(cc1)C[NH2+][C@@H](c1ccc2OCCc2c1)[*:1]
Cc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3cccnc3)c2[O-])cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
Cc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3cccnc3)c2[O-])cc1 Cc1ccc(cc1)[*:1] Cc1c(C(=O)[*:1])c([O-])n(Cc2cccnc2)c(=O)c1C#N
Cc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3cccnc3)c2[O-])cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)C(=O)c1c(C)c(C#N)c(=O)n(C[*:1])c1[O-]
Cc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3cccnc3)c2[O-])cc1 Cc1ccc(cc1)C(=O)[*:1] Cc1c(c([O-])n(Cc2cccnc2)c(=O)c1C#N)[*:1]
Cc1cncc(NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c1 Cc1cncc(c1)[*:1] C[C@H](NC(=O)N[*:1])c1ncc(o1)-c1ccccc1
Cc1cncc(NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)N[C@@H](C)c1ncc(o1)[*:1]
CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 O=C1CCCN1CC[*:1] CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CCC(=O)N(C1)C[*:1]
CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 O=C1CCCN1CCC[*:1] CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CCC(=O)N(C1)[*:1]
CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 O=C1CCCN1[*:1] CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CCC(=O)N(CCC[*:1])C1
CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 O=C1CCCN1C[*:1] CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CCC(=O)N(CC[*:1])C1
CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 c1cnc2ccc(cc2c1)[*:1] CN(C[*:1])C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1
O=S(=O)(CCC1CC1)[N-]c1ccc2c(c1)OCO2 C1CC1CC[*:1] O=S(=O)([N-]c1ccc2OCOc2c1)[*:1]
O=S(=O)(CCC1CC1)[N-]c1ccc2c(c1)OCO2 C1CC1C[*:1] O=S(=O)(C[*:1])[N-]c1ccc2OCOc2c1
O=S(=O)(CCC1CC1)[N-]c1ccc2c(c1)OCO2 C1CC1[*:1] O=S(=O)(CC[*:1])[N-]c1ccc2OCOc2c1
CSCCCn1ccc(=O)c2sccc21 CSCCC[*:1] O=c1ccn(c2ccsc12)[*:1]
CSCCCn1ccc(=O)c2sccc21 CSC[*:1] O=c1ccn(CC[*:1])c2ccsc12
CSCCCn1ccc(=O)c2sccc21 CSCC[*:1] O=c1ccn(C[*:1])c2ccsc12
C[C@@H](NC(=O)CSc1nnc(-c2cccs2)o1)c1cccc2ccccc12 c1csc(c1)[*:1] C[C@@H](NC(=O)CSc1nnc(o1)[*:1])c1cccc2ccccc12
CC1(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CC1(C)CCC(=O)Nc2cc(ccc21)[*:1]
Cc1ccc(-n2c(S[C@H](C)C(=O)NC3CCCCC3)nnc2N2CCCCC2)cc1 O=C(NC1CCCCC1)[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCCCC1)S[C@H](C)[*:1]
Cc1ccc(-n2c(S[C@H](C)C(=O)NC3CCCCC3)nnc2N2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCCCC1)S[C@H](C)C(=O)N[*:1]
Cc1ccc(-n2c(S[C@H](C)C(=O)NC3CCCCC3)nnc2N2CCCCC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(N2CCCCC2)n1[*:1])C(=O)NC1CCCCC1
Cc1ccc(-n2c(S[C@H](C)C(=O)NC3CCCCC3)nnc2N2CCCCC2)cc1 C1CCN(CC1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])S[C@H](C)C(=O)NC1CCCCC1
C[C@@H](O)CNC(=O)C[C@H](O)c1ccc(Cl)cc1 C[C@@H](O)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)NC[*:1]
C[C@@H](O)CNC(=O)C[C@H](O)c1ccc(Cl)cc1 C[C@@H](O)C[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)N[*:1]
CCCSc1nnc2c(n1)O[C@@H](C)Nc1ccccc1-2 CCCS[*:1] C[C@H]1Nc2ccccc2-c2nnc(nc2O1)[*:1]
CCCSc1nnc2c(n1)O[C@@H](C)Nc1ccccc1-2 CCC[*:1] C[C@H]1Nc2ccccc2-c2nnc(nc2O1)S[*:1]
Cc1nn(-c2ccccc2)c(N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)c1NC(=O)C(C)C CC(C)C(=O)N[*:1] Cc1nn(-c2ccccc2)c(c1[*:1])N1CCC(CC1)C(=O)NCc1cccc(Cl)c1
Cc1nn(-c2ccccc2)c(N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)c1NC(=O)C(C)C O=C(NCc1cccc(Cl)c1)[*:1] Cc1nn(-c2ccccc2)c(c1NC(=O)C(C)C)N1CCC(CC1)[*:1]
Cc1nn(-c2ccccc2)c(N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)c1NC(=O)C(C)C c1ccc(cc1)[*:1] Cc1nn(c(c1NC(=O)C(C)C)N1CCC(CC1)C(=O)NCc1cccc(Cl)c1)[*:1]
Cc1nn(-c2ccccc2)c(N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)c1NC(=O)C(C)C Clc1cccc(c1)C[*:1] Cc1nn(-c2ccccc2)c(c1NC(=O)C(C)C)N1CCC(CC1)C(=O)N[*:1]
Cc1nn(-c2ccccc2)c(N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)c1NC(=O)C(C)C Clc1cccc(c1)[*:1] Cc1nn(-c2ccccc2)c(c1NC(=O)C(C)C)N1CCC(CC1)C(=O)NC[*:1]
Cc1nn(-c2ccccc2)c(N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)c1NC(=O)C(C)C CC(C)[*:1] Cc1nn(-c2ccccc2)c(c1NC(=O)[*:1])N1CCC(CC1)C(=O)NCc1cccc(Cl)c1
CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 CCCC(=O)NC[*:1] O=C(c1ccc2OCOc2c1)N1CCC[C@@H](C1)[*:1]
CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 CCCC(=O)N[*:1] O=C(c1ccc2OCOc2c1)N1CCC[C@@H](C1)C[*:1]
CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 CCC[*:1] O=C(c1ccc2OCOc2c1)N1CCC[C@H](CNC(=O)[*:1])C1
O=C(c1cc(Br)ccc1O)N1CCN(C(=O)c2ccccc2Cl)CC1 Oc1ccc(Br)cc1[*:1] O=C(c1ccccc1Cl)N1CCN(CC1)C(=O)[*:1]
O=C(c1cc(Br)ccc1O)N1CCN(C(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(c1cc(Br)ccc1O)N1CCN(CC1)C(=O)[*:1]
C[C@H](Cl)c1cnn([C@@H]2CCOC3(CCSCC3)C2)c1 C[C@H](Cl)[*:1] c1nn(cc1[*:1])[C@@H]1CCOC2(CCSCC2)C1
CCOc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)cc1 CCO[*:1] N#Cc1ccc(cc1)CCC(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H]1CCCN1C(=O)CC[*:1]
COc1ncccc1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ncccc1CNc1ccc(cc1[*:1])S(=O)(=O)C(F)(F)F
COc1ncccc1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] COc1ncccc1[*:1] O=[N+]([O-])c1cc(ccc1NC[*:1])S(=O)(=O)C(F)(F)F
COc1ncccc1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] O=S(=O)(C(F)(F)F)[*:1] COc1ncccc1CNc1ccc(cc1[N+](=O)[O-])[*:1]
COc1ncccc1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] COc1ncccc1CNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CCOc3ccccc32)cc1F Cc1ccc(cc1F)[*:1] O=C(NC[C@]1(O)CCOc2ccccc21)C(=O)N[*:1]
O=C([O-])C1(Cc2ccncc2)Cc2ccccc2C1 c1cc(ccn1)[*:1] O=C([O-])C1(Cc2ccccc2C1)C[*:1]
O=C([O-])C1(Cc2ccncc2)Cc2ccccc2C1 O=C([O-])[*:1] c1ccc2CC(Cc3ccncc3)(Cc2c1)[*:1]
C[C@H](O)[C@H](C)SCC(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](O)[C@H](C)SCC(=O)Nc1ccc(cc1)O[*:1]
C[C@H](O)[C@H](C)SCC(=O)Nc1ccc(OC(F)(F)F)cc1 C[C@H](O)[*:1] C[C@H](SCC(=O)Nc1ccc(cc1)OC(F)(F)F)[*:1]
C[C@H](O)[C@H](C)SCC(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@H](O)[C@H](C)SCC(=O)Nc1ccc(cc1)[*:1]
CCO[C@@H]1N(Cc2ccccc2)C(=O)C(C#N)=NN1c1ccc([N+](=O)[O-])cc1 CCO[*:1] N#CC1=NN(c2ccc(cc2)[N+](=O)[O-])[C@@H](N(Cc2ccccc2)C1=O)[*:1]
CCO[C@@H]1N(Cc2ccccc2)C(=O)C(C#N)=NN1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCO[C@@H]1N(Cc2ccccc2)C(=O)C(C#N)=NN1c1ccc(cc1)[*:1]
CCO[C@@H]1N(Cc2ccccc2)C(=O)C(C#N)=NN1c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] CCO[C@H]1N(N=C(C#N)C(=O)N1[*:1])c1ccc(cc1)[N+](=O)[O-]
CCO[C@@H]1N(Cc2ccccc2)C(=O)C(C#N)=NN1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CCO[C@@H]1N(Cc2ccccc2)C(=O)C(C#N)=NN1[*:1]
CCO[C@@H]1N(Cc2ccccc2)C(=O)C(C#N)=NN1c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] CCO[C@@H]1N(C[*:1])C(=O)C(C#N)=NN1c1ccc(cc1)[N+](=O)[O-]
C[C@@H]1CC=CC[C@@H]1COC(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H]1CC=CC[C@@H]1COC(=O)c1ncccc1[*:1]
CC1(C2CC[NH+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CC2)OCCO1 CC1(OCCO1)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])NC(=O)Nc1ccc2OCCOc2c1
Cc1cc(C)c(C(=O)[C@H](C)OC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1C FC(F)(F)[*:1] Cc1cc(C)c(cc1C)C(=O)[C@H](C)OC(=O)Cc1c(C)nc2nc(nn2c1C)[*:1]
Cc1cc(C)c(C(=O)[C@H](C)OC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1C Cc1cc(C)c(cc1C)[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)O[C@@H](C)C(=O)[*:1])C(F)(F)F
Cc1ccc(C)n1-c1c(C(=O)[C@@H](C#N)c2ccc(F)cn2)cnn1C Cc1ccc(C)n1[*:1] Cn1ncc(C(=O)[C@@H](C#N)c2ccc(F)cn2)c1[*:1]
Cc1ccc(C)n1-c1c(C(=O)[C@@H](C#N)c2ccc(F)cn2)cnn1C Fc1ccc(nc1)[*:1] Cc1ccc(C)n1-c1c(cnn1C)C(=O)[C@@H](C#N)[*:1]
COc1ccc([N+](=O)[O-])cc1OCCCS SCCC[*:1] COc1ccc(cc1O[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1OCCCS O=[N+]([O-])[*:1] COc1ccc(cc1OCCCS)[*:1]
COc1ccc([N+](=O)[O-])cc1OCCCS SCC[*:1] COc1ccc(cc1OC[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1OCCCS SCCCO[*:1] COc1ccc(cc1[*:1])[N+](=O)[O-]
Cc1nsc(NC(=O)CC[C@H](C)CC[NH3+])c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NC(=O)CC[C@H](C)CC[NH3+])c1[*:1]
Cc1nsc(NC(=O)CC[C@H](C)CC[NH3+])c1C(=O)[O-] [NH3+]CC[*:1] Cc1nsc(NC(=O)CC[C@H](C)[*:1])c1C(=O)[O-]
COC(=O)CN(CC(=O)Nc1cc(C)on1)C1CC1 COC(=O)[*:1] Cc1cc(no1)NC(=O)CN(C[*:1])C1CC1
COC(=O)CN(CC(=O)Nc1cc(C)on1)C1CC1 Cc1cc(no1)[*:1] COC(=O)CN(CC(=O)N[*:1])C1CC1
COC(=O)CN(CC(=O)Nc1cc(C)on1)C1CC1 C1CC1[*:1] COC(=O)CN(CC(=O)Nc1cc(C)on1)[*:1]
COC(=O)CN(CC(=O)Nc1cc(C)on1)C1CC1 COC(=O)C[*:1] Cc1cc(no1)NC(=O)CN(C1CC1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)Cc2cc(-c3ccccc3F)on2)C1 Fc1ccccc1[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)Cc1cc(on1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)Cc2cc(-c3ccccc3F)on2)C1 CCOC(=O)[*:1] O=C(Cc1cc(on1)-c1ccccc1F)N1CCC[C@@H](C1)[*:1]
Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)c(C)s1 c1ccc(cc1)[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(nn1[*:1])-c1ccco1
Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)c(C)s1 c1coc(c1)[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(nn1-c1ccccc1)[*:1]
Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(c1cc(nn1-c1ccccc1)-c1ccco1)N1CCN(CC1)S(=O)(=O)[*:1]
[NH3+]C1(CCN2CCn3c(nnc3C(F)(F)F)C2)CCC1 [NH3+]C1(CCC1)C[*:1] FC(F)(F)c1nnc2CN(CCn21)C[*:1]
[NH3+]C1(CCN2CCn3c(nnc3C(F)(F)F)C2)CCC1 FC(F)(F)[*:1] [NH3+]C1(CCC1)CCN1CCn2c(C1)nnc2[*:1]
CCCCN1CCn2c(nc3cc(NC(C)=O)ccc32)C1 CCCC[*:1] CC(=O)Nc1ccc2c(c1)nc1CN(CCn12)[*:1]
CCCCN1CCn2c(nc3cc(NC(C)=O)ccc32)C1 CCC[*:1] CC(=O)Nc1ccc2c(c1)nc1CN(CCn12)C[*:1]
CCCCN1CCn2c(nc3cc(NC(C)=O)ccc32)C1 CC(=O)N[*:1] CCCCN1CCn2c(C1)nc1cc(ccc12)[*:1]
Cc1cccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1ccc(cc1)OCc1cn2ccccc2n1
Cc1cccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)n1 c1ccn2cc(nc2c1)[*:1] Cc1cccc(n1)NC(=O)c1ccc(cc1)OC[*:1]
C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCN(C)C1=O FC(F)(F)[*:1] C[C@@H](CC(=O)Nc1ccccc1[*:1])[NH2+][C@H]1CCN(C)C1=O
CC[NH2+]CC[C@](C)(O)c1cccc(OCC)c1 CCO[*:1] CC[NH2+]CC[C@](C)(O)c1cccc(c1)[*:1]
N#Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O c1nc(cs1)[*:1] N#Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
N#Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O c1nc(cs1)C[*:1] N#Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
N#Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O N#Cc1ccccc1[*:1] O=C1[C@H]2CC[C@H](CN(C2)C(=O)[*:1])N1Cc1cscn1
C[C@@H]1C[C@@H](Sc2nc(-c3cccs3)nc3ccccc23)C(=O)O1 c1csc(c1)[*:1] C[C@@H]1C[C@@H](Sc2nc(nc3ccccc23)[*:1])C(=O)O1
COC(=O)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(/C=N/n2cnnc2S[*:1])cc1
COC(=O)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 c1ccc(cc1)CS[*:1] COC(=O)c1ccc(/C=N/n2cnnc2[*:1])cc1
COC(=O)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 COC(=O)[*:1] C(=N/n1cnnc1SCc1ccccc1)\c1ccc(cc1)[*:1]
COC(=O)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(/C=N/n2cnnc2SC[*:1])cc1
[NH3+][C@H](CSc1ccccc1Cl)[C@@H]1CCOC2(CCCC2)C1 Clc1ccccc1[*:1] [NH3+][C@H](CS[*:1])[C@@H]1CCOC2(CCCC2)C1
C[C@H](c1ccc(S(C)(=O)=O)cc1)n1ccnc1-c1ccncc1 CS(=O)(=O)[*:1] C[C@H](c1ccc(cc1)[*:1])n1ccnc1-c1ccncc1
C[C@H](c1ccc(S(C)(=O)=O)cc1)n1ccnc1-c1ccncc1 c1cc(ccn1)[*:1] C[C@H](c1ccc(cc1)S(C)(=O)=O)n1ccnc1[*:1]
C/C=C/c1ccc(OC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c(OC)c1 c1ccc(cc1)[*:1] C/C=C/c1ccc(OC(=O)C2CCN(CC2)C(=O)N[*:1])c(c1)OC
C/C=C/c1ccc(OC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c(OC)c1 CC=C[*:1] COc1cc(ccc1OC(=O)C1CCN(CC1)C(=O)Nc1ccccc1)[*:1]
O=C(Cn1ncc2ccccc2c1=O)N1CCC(Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(Cn1ncc2ccccc2c1=O)N1CCC(CC1)[*:1]
O=C(Cn1ncc2ccccc2c1=O)N1CCC(Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Cn1ncc2ccccc2c1=O)N1CCC(CC1)C[*:1]
C[C@H]1CCC[C@@](C#N)([C@](C)(O)C2CC2)C1 C1CC1[*:1] C[C@H]1CCC[C@](C#N)(C1)[C@](C)(O)[*:1]
C[NH+](CCN1C(=O)c2ccccc2C1=O)Cc1cccc(C(N)=O)c1 NC(=O)[*:1] C[NH+](CCN1C(=O)c2ccccc2C1=O)Cc1cccc(c1)[*:1]
CS[C@@H](CNC(=O)CSc1nc(C)n[nH]1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CS[C@@H](CNC(=O)CSc1nc(C)n[nH]1)[*:1]
CS[C@@H](CNC(=O)CSc1nc(C)n[nH]1)c1cccc(Cl)c1 Cc1n[nH]c(n1)S[*:1] CS[C@@H](CNC(=O)C[*:1])c1cccc(Cl)c1
CS[C@@H](CNC(=O)CSc1nc(C)n[nH]1)c1cccc(Cl)c1 Cc1n[nH]c(n1)[*:1] CS[C@@H](CNC(=O)CS[*:1])c1cccc(Cl)c1
CN(C)N1C(=O)C[C@@H](c2ccc(F)cc2)C2=C1CC(C)(C)CC2=O Fc1ccc(cc1)[*:1] CN(C)N1C(=O)C[C@@H](C2C(=O)CC(C)(C)CC=21)[*:1]
FC(F)(F)c1cccc(N2CCN(c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] FC(F)(F)c1cccc(n1)N1CCN(CC1)[*:1]
FC(F)(F)c1cccc(N2CCN(c3ccccc3)CC2)n1 FC(F)(F)[*:1] c1ccc(cc1)N1CCN(CC1)c1cccc(n1)[*:1]
O=C(Nc1ncc(-c2ccccc2)s1)NC1CC1 C1CC1[*:1] O=C(Nc1ncc(s1)-c1ccccc1)N[*:1]
O=C(Nc1ncc(-c2ccccc2)s1)NC1CC1 c1ccc(cc1)[*:1] O=C(Nc1ncc(s1)[*:1])NC1CC1
Cc1ccsc1CN(C)C(=O)C(=O)Nc1ccc2[nH]ncc2c1 Cc1ccsc1[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2[nH]ncc2c1
Cc1ccsc1CN(C)C(=O)C(=O)Nc1ccc2[nH]ncc2c1 Cc1ccsc1C[*:1] CN(C(=O)C(=O)Nc1ccc2[nH]ncc2c1)[*:1]
COC(=O)[C@H](C)[C@H](C)n1ccc(C)n1 COC(=O)[*:1] Cc1ccn(n1)[C@@H](C)[C@@H](C)[*:1]
O=C(NCc1ccc(Cl)cc1)c1nc(Cc2c[nH]c3ccccc23)no1 Clc1ccc(cc1)C[*:1] O=C(N[*:1])c1nc(Cc2c[nH]c3ccccc23)no1
O=C(NCc1ccc(Cl)cc1)c1nc(Cc2c[nH]c3ccccc23)no1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1nc(Cc2c[nH]c3ccccc23)no1
O=C(N[C@@H]1C[C@H]2CCCc3cccc1c32)N1CCO[C@H](c2nccs2)C1 c1csc(n1)[*:1] O=C(N[C@@H]1C[C@H]2CCCc3cccc1c32)N1CCO[C@H](C1)[*:1]
Cc1cc(OCC(=O)NCc2ccc(C(N)=O)o2)ccc1C(C)C NC(=O)c1ccc(o1)[*:1] Cc1cc(ccc1C(C)C)OCC(=O)NC[*:1]
Cc1cc(OCC(=O)NCc2ccc(C(N)=O)o2)ccc1C(C)C NC(=O)[*:1] Cc1cc(ccc1C(C)C)OCC(=O)NCc1ccc(o1)[*:1]
Cc1cc(OCC(=O)NCc2ccc(C(N)=O)o2)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCC(=O)NCc1ccc(o1)C(N)=O
COc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nnnn1C1CC1 C1CC1[*:1] COc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nnnn1[*:1]
CC(C)c1[nH+]ccn1CCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] CC(C)c1[nH+]ccn1CCC(=O)N[C@H](c1cccc(F)c1)[*:1]
CC(C)c1[nH+]ccn1CCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 CC(C)[*:1] O=C(CCn1cc[nH+]c1[*:1])N[C@H](c1ccccc1)c1cccc(F)c1
CC(C)c1[nH+]ccn1CCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)c1[nH+]ccn1CCC(=O)N[C@H](c1ccccc1)[*:1]
NS(=O)(=O)c1ccc(CNc2nc3ccccc3s2)s1 NS(=O)(=O)[*:1] c1ccc2sc(nc2c1)NCc1ccc(s1)[*:1]
Cn1cc[nH+]c1CNC(=O)c1cncc([C@H]2CCC[NH2+]2)n1 Cn1cc[nH+]c1C[*:1] O=C(N[*:1])c1cncc(n1)[C@H]1CCC[NH2+]1
COC[C@H](NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C(N)=O CC(C)=C[*:1] COC[C@H](NC(=O)[C@H]1[C@H](C1(C)C)[*:1])C(N)=O
COC[C@H](NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)[*:1]
COC[C@H](NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C(N)=O COC[*:1] CC(C)=C[C@H]1[C@H](C(=O)N[C@H](C(N)=O)[*:1])C1(C)C
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 CC(=O)N[*:1] O=c1ccc2cc(ccc2o1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc2c(C(=O)NCC[NH+]3CCCC3)cc(=O)oc2c1 CCO[*:1] O=C(NCC[NH+]1CCCC1)c1cc(=O)oc2cc(ccc12)[*:1]
COC(=O)c1cccc(C(=O)Oc2ccc3nccnc3c2)c1 COC(=O)[*:1] O=C(Oc1ccc2nccnc2c1)c1cccc(c1)[*:1]
CCNC(=O)CNS(=O)(=O)c1sccc1Br CCNC(=O)[*:1] O=S(=O)(NC[*:1])c1sccc1Br
CCC[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccccc1 c1ccc(nc1)[*:1] CCC[C@H](NC(=O)c1sc(nc1C)[*:1])c1ccccc1
CCC[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](NC(=O)c1sc(nc1C)-c1ccccn1)[*:1]
CCC[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccccc1 CCC[*:1] Cc1nc(sc1C(=O)N[C@H](c1ccccc1)[*:1])-c1ccccn1
O=C(CSc1cccc(Br)c1)NC1CC1 C1CC1[*:1] O=C(CSc1cccc(Br)c1)N[*:1]
O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCC[C@@](CO)(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1cc(nc2ccccc12)-c1ccncc1)N1CCC[C@@](CO)(C1)[*:1]
O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCC[C@@](CO)(Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cc(nc2ccccc12)-c1ccncc1)N1CCC[C@](CO)(C1)C[*:1]
O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCC[C@@](CO)(Cc2ccccc2)C1 c1cc(ccn1)[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCC[C@@](CO)(Cc2ccccc2)C1
COCCn1c(SCc2nc(-c3cccc(Cl)c3)oc2C)nc2ccccc2c1=O COC[*:1] Cc1oc(nc1CSc1nc2ccccc2c(=O)n1C[*:1])-c1cccc(Cl)c1
COCCn1c(SCc2nc(-c3cccc(Cl)c3)oc2C)nc2ccccc2c1=O COCC[*:1] Cc1oc(nc1CSc1nc2ccccc2c(=O)n1[*:1])-c1cccc(Cl)c1
COCCn1c(SCc2nc(-c3cccc(Cl)c3)oc2C)nc2ccccc2c1=O Clc1cccc(c1)[*:1] COCCn1c(nc2ccccc2c1=O)SCc1nc(oc1C)[*:1]
C[C@H](O)c1ccn(Cc2ccc(Cl)c(Cl)c2)c1 C[C@H](O)[*:1] Clc1ccc(cc1Cl)Cn1ccc(c1)[*:1]
O=C(c1ccc(F)nc1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] O=C(c1ccc(F)nc1)N1CC[C@H](C1)Oc1ccc(cn1)[*:1]
O=C(c1ccc(F)nc1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 Fc1ccc(cn1)[*:1] O=C(N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
O=C(NCc1ccncc1)c1ccc(Sc2ccccn2)cc1 c1ccc(nc1)[*:1] O=C(NCc1ccncc1)c1ccc(cc1)S[*:1]
O=C(NCc1ccncc1)c1ccc(Sc2ccccn2)cc1 c1ccc(nc1)S[*:1] O=C(NCc1ccncc1)c1ccc(cc1)[*:1]
O=C(NCc1ccncc1)c1ccc(Sc2ccccn2)cc1 c1cc(ccn1)C[*:1] O=C(N[*:1])c1ccc(cc1)Sc1ccccn1
O=C(NCc1ccncc1)c1ccc(Sc2ccccn2)cc1 c1cc(ccn1)[*:1] O=C(NC[*:1])c1ccc(cc1)Sc1ccccn1
CCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c1 CCCNC(=O)[*:1] Cc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(c1)C(=O)N1CCC[C@H]1[*:1]
CCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c1 Cc1ccc(cc1Cl)[*:1] CCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)NS(=O)(=O)[*:1]
CCCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c1 CCC[*:1] Cc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N[*:1]
CCOC(=O)[C@@H]1CCCCN1Cc1ccc(Br)cc1 CCOC(=O)[*:1] Brc1ccc(cc1)CN1CCCC[C@H]1[*:1]
C=C(Cl)CN1CCN(c2ccccc2OC)CC1 C=C(Cl)C[*:1] COc1ccccc1N1CCN(CC1)[*:1]
C=C(Cl)CN1CCN(c2ccccc2OC)CC1 C=C(Cl)[*:1] COc1ccccc1N1CCN(CC1)C[*:1]
NN1[C@@H](SCC(=O)Nc2ccc(F)c(Cl)c2)NN[C@@H]1[C@@H]1C=C(c2ccccc2)N=N1 c1ccc(cc1)[*:1] NN1[C@H](NN[C@@H]1[C@@H]1C=C(N=N1)[*:1])SCC(=O)Nc1ccc(F)c(Cl)c1
NN1[C@@H](SCC(=O)Nc2ccc(F)c(Cl)c2)NN[C@@H]1[C@@H]1C=C(c2ccccc2)N=N1 Fc1ccc(cc1Cl)[*:1] NN1[C@H](NN[C@@H]1[C@@H]1C=C(N=N1)c1ccccc1)SCC(=O)N[*:1]
O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 c1ccc2c(c[nH]c2c1)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1nc2ccccc2s1
O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](C1)[*:1]
FC(F)(F)c1nc2n(n1)[C@@H](c1ccccc1)C=C(c1cccs1)N2 FC(F)(F)[*:1] C1=C(Nc2nc(nn2[C@H]1c1ccccc1)[*:1])c1cccs1
FC(F)(F)c1nc2n(n1)[C@@H](c1ccccc1)C=C(c1cccs1)N2 c1ccc(cc1)[*:1] FC(F)(F)c1nc2NC(=C[C@H](n2n1)[*:1])c1cccs1
FC(F)(F)c1nc2n(n1)[C@@H](c1ccccc1)C=C(c1cccs1)N2 c1csc(c1)[*:1] FC(F)(F)c1nc2NC(=C[C@H](c3ccccc3)n2n1)[*:1]
CCn1c(SCC(=O)c2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C Cc1ccc(cc1)[*:1] CCn1c(nc2c1c(=O)[nH]c(=O)n2C)SCC(=O)[*:1]
C[NH2+][C@H]1C[C@@H](Oc2c(C)cc(Br)cc2[N+](=O)[O-])C1(C)C O=[N+]([O-])[*:1] C[NH2+][C@H]1C[C@@H](Oc2c(C)cc(Br)cc2[*:1])C1(C)C
O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@@H]([NH+]2CCCC2)C1 Brc1ccccc1[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CC[C@H](C1)[NH+]1CCCC1
Cc1ccc(CCNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cn1 C1CC1[*:1] Cc1ccc(cn1)CCNC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CCNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cn1 Cc1ccc(cn1)[*:1] O=C(NCC[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
C[C@@H](NC(=O)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)c1nccn2nc(cc12)-c1ccccc1)[*:1]
C[C@@H](NC(=O)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)c1nccn2nc(cc12)[*:1])c1ccc(F)cc1
COc1ccc(CNC(=O)COC(=O)c2cc3sccc3n2C)cc1 COc1ccc(cc1)[*:1] Cn1c(cc2sccc21)C(=O)OCC(=O)NC[*:1]
Cc1ccc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[nH]c2c1 O=[N+]([O-])[*:1] Cc1ccc2cc([nH]c2c1)C(=O)Nc1cc(ccc1OC(F)F)[*:1]
Cc1ccc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[nH]c2c1 FC(F)O[*:1] Cc1ccc2cc([nH]c2c1)C(=O)Nc1cc(ccc1[*:1])[N+](=O)[O-]
Cc1ccc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[nH]c2c1 FC(F)[*:1] Cc1ccc2cc([nH]c2c1)C(=O)Nc1cc(ccc1O[*:1])[N+](=O)[O-]
Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@H](C)C[C@@H](C)O Cc1ncsc1[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)Cn1c(nc2ccccc21)[*:1]
Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@H](C)C[C@@H](C)O C[C@@H](O)[*:1] Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@H](C)C[*:1]
Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@H](C)C[C@@H](C)O C[C@@H](O)C[*:1] Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@H](C)[*:1]
COC(=O)c1ccc(Oc2ncnc(Oc3cccc4cccnc34)c2[N+](=O)[O-])cc1 COC(=O)[*:1] O=[N+]([O-])c1c(ncnc1Oc1cccc2cccnc12)Oc1ccc(cc1)[*:1]
COC(=O)c1ccc(Oc2ncnc(Oc3cccc4cccnc34)c2[N+](=O)[O-])cc1 c1cnc2c(cccc2c1)[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(O[*:1])c1[N+](=O)[O-]
COC(=O)c1ccc(Oc2ncnc(Oc3cccc4cccnc34)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(Oc2cccc3cccnc23)c1[*:1]
COC(=O)c1ccc(Oc2ncnc(Oc3cccc4cccnc34)c2[N+](=O)[O-])cc1 COC(=O)c1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1O[*:1])Oc1cccc2cccnc12
CC[C@H](NC(=O)N1CC[C@H]2OCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)N1CC[C@H]2OCCC[C@@H]2C1)c1cccc(c1)[*:1]
C[C@H]([NH2+][C@H](C)Cc1ccc(Cl)cc1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H]([NH2+][C@H](C)Cc1ccc(Cl)cc1)C(=O)N[*:1]
C#CCNC(=O)C[NH+]1CCCN(C(=O)/C=C(\C)C(C)(C)C)CC1 CC(=C[*:1])C(C)(C)C C#CCNC(=O)C[NH+]1CCCN(CC1)C(=O)[*:1]
C#CCNC(=O)C[NH+]1CCCN(C(=O)/C=C(\C)C(C)(C)C)CC1 CC(C)(C)[*:1] C#CCNC(=O)C[NH+]1CCCN(CC1)C(=O)C=C(C)[*:1]
C#CCNC(=O)C[NH+]1CCCN(C(=O)/C=C(\C)C(C)(C)C)CC1 C#CC[*:1] C/C(=C\C(=O)N1CCC[NH+](CC1)CC(=O)N[*:1])C(C)(C)C
C#CCNC(=O)C[NH+]1CCCN(C(=O)/C=C(\C)C(C)(C)C)CC1 C#CCNC(=O)C[*:1] C/C(=C\C(=O)N1CCC[NH+](CC1)[*:1])C(C)(C)C
C#CCNC(=O)C[NH+]1CCCN(C(=O)/C=C(\C)C(C)(C)C)CC1 C#CCNC(=O)[*:1] C/C(=C\C(=O)N1CCC[NH+](CC1)C[*:1])C(C)(C)C
COC(=O)C[C@@H](C(=O)OC)c1ccc(O)cc1 COC(=O)[*:1] COC(=O)[C@H](C[*:1])c1ccc(O)cc1
COC(=O)C[C@@H](C(=O)OC)c1ccc(O)cc1 COC(=O)[*:1] COC(=O)C[C@@H](c1ccc(O)cc1)[*:1]
COC(=O)C[C@@H](C(=O)OC)c1ccc(O)cc1 COC(=O)C[*:1] COC(=O)[C@@H](c1ccc(O)cc1)[*:1]
Cc1cccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2cnsn2)n1 c1nsnc1[*:1] Cc1cccc(n1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
Cc1cccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2cnsn2)n1 Cc1cccc(n1)[*:1] O=C(c1cnsn1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1[*:1]
CC[C@@H](NC(=O)c1n[nH]c(C(C)C)n1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1n[nH]c(n1)C(C)C)[*:1]
CC[C@@H](NC(=O)c1n[nH]c(C(C)C)n1)c1ccc(Br)cc1 CC(C)[*:1] CC[C@@H](NC(=O)c1n[nH]c(n1)[*:1])c1ccc(Br)cc1
C[C@@H]1c2ccccc2C=CN1C(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@@H]1c2ccccc2C=CN1C(=O)[*:1]
CCC1=C(C)[C@@H](C(=O)N2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)N=N1 COc1ccc(cc1)[*:1] CCC1N=N[C@H](C(=O)N2CCC[C@H](CNS(=O)(=O)[*:1])C2)C=1C
C[C@@H](NC(=O)[C@@H]1c2ccccc2CC(=O)N1C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1c2ccccc2CC(=O)N1C)[*:1]
C[NH+]1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 c1csc(c1)[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)[*:1]
Cc1nc([C@H]2CCCN(C(=O)Cc3csc(C(C)(C)C)n3)C2)no1 Cc1nc(no1)[*:1] CC(C)(C)c1nc(cs1)CC(=O)N1CCC[C@@H](C1)[*:1]
Cc1nc([C@H]2CCCN(C(=O)Cc3csc(C(C)(C)C)n3)C2)no1 CC(C)(C)[*:1] Cc1nc(no1)[C@H]1CCCN(C1)C(=O)Cc1csc(n1)[*:1]
O=C(Cn1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O)N1CCCc2ccccc21 Clc1ccc(cc1)[*:1] O=C(Cn1cnc2c(nnn2[*:1])c1=O)N1CCCc2ccccc21
Cc1ccc(Cn2nc(C)c(/C=C/C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)/C=C/c2c(C)nn(C[*:1])c2C)n(n1)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(Cn2nc(C)c(/C=C/C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(NC(=O)/C=C/c2c(C)nn(c2C)[*:1])n(n1)[C@@H]1CCS(=O)(=O)C1
COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 c1ccc(cc1)[*:1] COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@]12C(=O)N(C[*:1])c1ccccc12
COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 COC[*:1] Cc1ccc2oc3C(=O)N(C[*:1])[C@]4(C(=O)N(Cc5ccccc5)c5ccccc54)c3c(=O)c2c1
COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 c1ccc(cc1)C[*:1] COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@]12C(=O)N(c1ccccc12)[*:1]
COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 COCC[*:1] Cc1ccc2oc3C(=O)N([C@]4(C(=O)N(Cc5ccccc5)c5ccccc54)c3c(=O)c2c1)[*:1]
CCCC[NH+](CCO)Cc1ncc(C)o1 CCC[*:1] Cc1cnc(C[NH+](CCO)C[*:1])o1
CCCC[NH+](CCO)Cc1ncc(C)o1 OCC[*:1] CCCC[NH+](Cc1ncc(C)o1)[*:1]
CCCC[NH+](CCO)Cc1ncc(C)o1 CCCC[*:1] Cc1cnc(C[NH+](CCO)[*:1])o1
O=C(NCC1CCCCC1)c1cccc(NC(=O)c2cnc3nccn3c2[O-])c1 C1CCC(CC1)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)c1cnc2nccn2c1[O-]
O=C(NCC1CCCCC1)c1cccc(NC(=O)c2cnc3nccn3c2[O-])c1 C1CCC(CC1)C[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1cnc2nccn2c1[O-]
NC(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)c(F)c1 NC(=O)[*:1] O=C(Nc1ccc(cc1F)[*:1])c1ccc(cc1)-n1cccn1
NC(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)c(F)c1 c1cnn(c1)[*:1] NC(=O)c1ccc(NC(=O)c2ccc(cc2)[*:1])c(F)c1
C[C@@H](c1nc(-c2ccccc2)no1)[S@](=O)Cc1nccn1C(F)F FC(F)[*:1] C[C@@H](c1nc(no1)-c1ccccc1)[S@](=O)Cc1nccn1[*:1]
C[C@@H](c1nc(-c2ccccc2)no1)[S@](=O)Cc1nccn1C(F)F c1ccc(cc1)[*:1] C[C@@H](c1nc(no1)[*:1])[S@](=O)Cc1nccn1C(F)F
C[C@@H](c1nc(-c2ccccc2)no1)[S@](=O)Cc1nccn1C(F)F FC(F)n1ccnc1[*:1] C[C@@H](c1nc(no1)-c1ccccc1)[S@](=O)C[*:1]
CSc1ccc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] CSc1ccc(cc1)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
CSc1ccc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 CSc1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(cc1)C(F)(F)F
CCN(CC)S(=O)(=O)c1ccc(N2c3ccccc3C[C@@H]2C)nc1 CCN(CC)S(=O)(=O)[*:1] C[C@H]1Cc2ccccc2N1c1ccc(cn1)[*:1]
O=C(CCC(F)(F)F)N[C@@H]1CCCc2cc(OC(F)F)ccc21 FC(F)(F)C[*:1] O=C(C[*:1])N[C@@H]1CCCc2cc(ccc21)OC(F)F
O=C(CCC(F)(F)F)N[C@@H]1CCCc2cc(OC(F)F)ccc21 FC(F)[*:1] O=C(CCC(F)(F)F)N[C@@H]1CCCc2cc(ccc21)O[*:1]
O=C(CCC(F)(F)F)N[C@@H]1CCCc2cc(OC(F)F)ccc21 FC(F)O[*:1] O=C(CCC(F)(F)F)N[C@@H]1CCCc2cc(ccc21)[*:1]
O=C(CCC(F)(F)F)N[C@@H]1CCCc2cc(OC(F)F)ccc21 FC(F)(F)[*:1] O=C(CC[*:1])N[C@@H]1CCCc2cc(ccc21)OC(F)F
O=C(CCC(F)(F)F)N[C@@H]1CCCc2cc(OC(F)F)ccc21 FC(F)(F)CC[*:1] O=C(N[C@@H]1CCCc2cc(ccc21)OC(F)F)[*:1]
CN(C)c1[nH+]c2c(cc1C(N)=O)COC(C)(C)C2 NC(=O)[*:1] CN(C)c1[nH+]c2CC(C)(C)OCc2cc1[*:1]
CN(C)c1[nH+]c2c(cc1C(N)=O)COC(C)(C)C2 CN(C)[*:1] CC1(C)Cc2[nH+]c(c(cc2CO1)C(N)=O)[*:1]
CC1(C)CC2(C[C@@H](c3ccc4c(c3)OCO4)[C@@H]1NC(=O)c1ccccc1)OCCO2 c1cc2OCOc2cc1[*:1] CC1(C)CC2(C[C@@H]([C@@H]1NC(=O)c1ccccc1)[*:1])OCCO2
CC1(C)CC2(C[C@@H](c3ccc4c(c3)OCO4)[C@@H]1NC(=O)c1ccccc1)OCCO2 c1ccc(cc1)[*:1] CC1(C)CC2(C[C@@H](c3ccc4OCOc4c3)[C@@H]1NC(=O)[*:1])OCCO2
CC1(C)CC2(C[C@@H](c3ccc4c(c3)OCO4)[C@@H]1NC(=O)c1ccccc1)OCCO2 O=C(N[*:1])c1ccccc1 CC1(C)CC2(C[C@@H](c3ccc4OCOc4c3)[C@H]1[*:1])OCCO2
CN(Cc1ccccc1)c1ccccc1NC(=O)NC[C@H]1CCS(=O)(=O)C1 CN(Cc1ccccc1)[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccccc1[*:1]
CN(Cc1ccccc1)c1ccccc1NC(=O)NC[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] CN(c1ccccc1NC(=O)NC[C@H]1CCS(=O)(=O)C1)[*:1]
CN(Cc1ccccc1)c1ccccc1NC(=O)NC[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CN(C[*:1])c1ccccc1NC(=O)NC[C@H]1CCS(=O)(=O)C1
Cc1cc(C)cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 c1cncc(c1)[*:1] Cc1cc(C)cc(c1)NC(=O)c1cn(nc1[*:1])-c1ccccc1
Cc1cc(C)cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
Cc1cc(C)cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)c1cn(nc1-c1cccnc1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC=C(CC1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC=C(c2ccccc2)CC1 N#Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N1CC=C(CC1)c1ccccc1
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCCO OCCO[*:1] CCOc1cc(ccc1[*:1])[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCCO CCO[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@@H](c3ccc(OCCO)c(c3)[*:1])c12
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCCO OCC[*:1] CCOc1cc(ccc1O[*:1])[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21
CCO[C@H](CCn1nnc2c(cnn2C)c1=O)C(=O)[O-] CCO[*:1] Cn1ncc2c(=O)n(CC[C@H](C(=O)[O-])[*:1])nnc21
CCO[C@H](CCn1nnc2c(cnn2C)c1=O)C(=O)[O-] O=C([O-])[*:1] CCO[C@H](CCn1nnc2c(cnn2C)c1=O)[*:1]
C[C@H](Cc1ccccc1F)C(=O)N(Cc1ccco1)C[C@H]1CCCO1 Fc1ccccc1C[*:1] C[C@H](C(=O)N(Cc1ccco1)C[C@H]1CCCO1)[*:1]
C[C@H](Cc1ccccc1F)C(=O)N(Cc1ccco1)C[C@H]1CCCO1 c1coc(c1)[*:1] C[C@H](Cc1ccccc1F)C(=O)N(C[C@H]1CCCO1)C[*:1]
C[C@H](Cc1ccccc1F)C(=O)N(Cc1ccco1)C[C@H]1CCCO1 c1coc(c1)C[*:1] C[C@H](Cc1ccccc1F)C(=O)N(C[C@H]1CCCO1)[*:1]
C[C@H](Cc1ccccc1F)C(=O)N(Cc1ccco1)C[C@H]1CCCO1 Fc1ccccc1[*:1] C[C@H](C[*:1])C(=O)N(Cc1ccco1)C[C@H]1CCCO1
C[C@H](Cc1ccccc1F)C(=O)N(Cc1ccco1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](Cc1ccccc1F)C(=O)N(Cc1ccco1)C[*:1]
C[C@H](Cc1ccccc1F)C(=O)N(Cc1ccco1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C[C@H](Cc1ccccc1F)C(=O)N(Cc1ccco1)[*:1]
CCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O CCC[C@@H](C)[*:1] O=C1[C@H](CCN1c1ccccc1)NC(=O)[*:1]
CCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O CCC[*:1] C[C@@H](C(=O)N[C@H]1CCN(C1=O)c1ccccc1)[*:1]
CCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCC[C@@H](C)C(=O)N[C@H]1CCN(C1=O)[*:1]
Cn1c(=O)c(N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)nc2cccnc21 c1ccc2c(c[nH]c2c1)C[*:1] Cn1c(=O)c(nc2cccnc21)N1CCC[C@H](C1)C(=O)NC[*:1]
Cn1c(=O)c(N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)nc2cccnc21 c1ccc2c(c[nH]c2c1)[*:1] Cn1c(=O)c(nc2cccnc21)N1CCC[C@H](C1)C(=O)NCC[*:1]
CC[NH+](Cc1ccc(F)c(F)c1)Cc1nc(C2CC2)no1 C1CC1[*:1] CC[NH+](Cc1ccc(F)c(F)c1)Cc1nc(no1)[*:1]
CCOCC(=O)N/N=C/c1ccccc1OCC CCO[*:1] CCOc1ccccc1/C=N/NC(=O)C[*:1]
CCOCC(=O)N/N=C/c1ccccc1OCC CCOC[*:1] CCOc1ccccc1/C=N/NC(=O)[*:1]
CCOCC(=O)N/N=C/c1ccccc1OCC CCO[*:1] CCOCC(=O)N/N=C/c1ccccc1[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(CN2CCOCC2)c1 CNC(=O)[*:1] C[C@H](CN(C)C(=O)c1cccc(c1)CN1CCOCC1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(CN2CCOCC2)c1 C1CN(CCO1)C[*:1] CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(c1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(CN2CCOCC2)c1 C1CN(CCO1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(c1)C[*:1]
CN(CCc1cccs1)C(=O)[C@H]1CNCc2ccccc21 c1csc(c1)CC[*:1] CN(C(=O)[C@H]1CNCc2ccccc21)[*:1]
CN(CCc1cccs1)C(=O)[C@H]1CNCc2ccccc21 c1csc(c1)[*:1] CN(CC[*:1])C(=O)[C@H]1CNCc2ccccc21
CN(CCc1cccs1)C(=O)[C@H]1CNCc2ccccc21 c1csc(c1)C[*:1] CN(C[*:1])C(=O)[C@H]1CNCc2ccccc21
CCN(C(=O)CSc1nc(-c2ccccc2)cs1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCN(C(=O)CSc1nc(cs1)[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)(C)CC(=O)Nc1ccc(-n2ccnc2)cc1 CC(C)(C)C[*:1] O=C(Nc1ccc(cc1)-n1ccnc1)[*:1]
CC(C)(C)CC(=O)Nc1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CC(C)(C)CC(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)CC(=O)Nc1ccc(-n2ccnc2)cc1 CC(C)(C)[*:1] O=C(C[*:1])Nc1ccc(cc1)-n1ccnc1
O=C(c1ccc(F)cc1Cl)N1CCC(c2nc3ccccc3s2)CC1 Fc1ccc(c(Cl)c1)[*:1] O=C(N1CCC(CC1)c1nc2ccccc2s1)[*:1]
O=C1N=C(COC(=O)c2cccnc2Cl)N=C2S[C@H]3CCCCC3=C12 Clc1ncccc1[*:1] O=C1N=C(COC(=O)[*:1])N=C2S[C@H]3CCCCC3=C12
C/[NH+]=C(/NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)NC(C)C CC(C)[*:1] C/[NH+]=C(/NC[C@]1(CCC[C@H](C)C1)[NH+](C)C)N[*:1]
C=C(Br)CNC(=O)[C@@H]1CSCN1C(=O)/C(C)=C\CC C=C(Br)[*:1] CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NC[*:1]
C=C(Br)CNC(=O)[C@@H]1CSCN1C(=O)/C(C)=C\CC C=C(Br)C[*:1] CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N[*:1]
C=C(Br)CNC(=O)[C@@H]1CSCN1C(=O)/C(C)=C\CC CCC=C(C)[*:1] C=C(Br)CNC(=O)[C@@H]1CSCN1C(=O)[*:1]
COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 COc1ccc(cc1)[*:1] Cc1cc(no1)N1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1[*:1]
COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 Cc1cc(no1)[*:1] COc1ccc(cc1)[C@@H]1c2c(oc3cc(C)c(C)cc3c2=O)C(=O)N1[*:1]
Cc1oc(C)c(C(=O)NCCCn2cccn2)c1C c1cnn(c1)[*:1] Cc1oc(C)c(C(=O)NCCC[*:1])c1C
Cc1oc(C)c(C(=O)NCCCn2cccn2)c1C c1cnn(c1)C[*:1] Cc1oc(C)c(C(=O)NCC[*:1])c1C
C#CCOc1ccc(F)cc1NC(=O)N(C)C[C@H](C)C(=O)NC C#CC[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)Nc1cc(F)ccc1O[*:1]
C#CCOc1ccc(F)cc1NC(=O)N(C)C[C@H](C)C(=O)NC CNC(=O)[*:1] C#CCOc1ccc(F)cc1NC(=O)N(C)C[C@H](C)[*:1]
C#CCOc1ccc(F)cc1NC(=O)N(C)C[C@H](C)C(=O)NC C#CCO[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)Nc1cc(F)ccc1[*:1]
CC(C)(C)c1cc(C(=O)NCCc2nc3ccccc3s2)no1 CC(C)(C)[*:1] O=C(NCCc1nc2ccccc2s1)c1cc(on1)[*:1]
COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)on2)n1-c1ccccc1 COc1ccccc1[*:1] Cc1cc(no1)NC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)on2)n1-c1ccccc1 Cc1cc(no1)NC(=O)C[*:1] COc1ccccc1-c1nnc(S[*:1])n1-c1ccccc1
COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)on2)n1-c1ccccc1 Cc1cc(no1)[*:1] COc1ccccc1-c1nnc(SCC(=O)N[*:1])n1-c1ccccc1
COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)on2)n1-c1ccccc1 Cc1cc(no1)NC(=O)[*:1] COc1ccccc1-c1nnc(SC[*:1])n1-c1ccccc1
COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)on2)n1-c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)on2)n1[*:1]
CC[C@@H](C)Sc1nnc(-c2cn(C)nc2OC)n1C CC[C@@H](C)[*:1] COc1nn(C)cc1-c1nnc(S[*:1])n1C
CC[C@@H](C)Sc1nnc(-c2cn(C)nc2OC)n1C CC[C@@H](C)S[*:1] COc1nn(C)cc1-c1nnc(n1C)[*:1]
COc1ccc(CNC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(NC[*:1])c1scc(-c2ccccc2)c1-n1cccc1
COc1ccc(CNC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(CNC(=O)c2scc(c2-n2cccc2)[*:1])c(c1)OC
COc1ccc(CNC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c(OC)c1 c1ccn(c1)[*:1] COc1ccc(CNC(=O)c2scc(-c3ccccc3)c2[*:1])c(c1)OC
COC(=O)c1ccccc1Cc1nc2ccccc2c(=O)[nH]1 COC(=O)[*:1] O=c1[nH]c(Cc2ccccc2[*:1])nc2ccccc12
NNC1=NC(=O)C2=C3CCN(Cc4ccccc4)C[C@H]3SC2=[NH+]1 c1ccc(cc1)[*:1] NNC1=NC(=O)C2C(=[NH+]1)S[C@@H]1CN(CCC=21)C[*:1]
NNC1=NC(=O)C2=C3CCN(Cc4ccccc4)C[C@H]3SC2=[NH+]1 c1ccc(cc1)C[*:1] NNC1=NC(=O)C2C(=[NH+]1)S[C@@H]1CN(CCC=21)[*:1]
COC(=O)CCN(C(=O)c1cnn(-c2ccc(F)cc2)n1)C(C)C Fc1ccc(cc1)[*:1] COC(=O)CCN(C(=O)c1cnn(n1)[*:1])C(C)C
COC(=O)CCN(C(=O)c1cnn(-c2ccc(F)cc2)n1)C(C)C COC(=O)C[*:1] CC(C)N(C[*:1])C(=O)c1cnn(n1)-c1ccc(F)cc1
COC(=O)CCN(C(=O)c1cnn(-c2ccc(F)cc2)n1)C(C)C COC(=O)[*:1] CC(C)N(CC[*:1])C(=O)c1cnn(n1)-c1ccc(F)cc1
COC(=O)CCN(C(=O)c1cnn(-c2ccc(F)cc2)n1)C(C)C COC(=O)CC[*:1] CC(C)N(C(=O)c1cnn(n1)-c1ccc(F)cc1)[*:1]
COC(=O)CCN(C(=O)c1cnn(-c2ccc(F)cc2)n1)C(C)C CC(C)[*:1] COC(=O)CCN(C(=O)c1cnn(n1)-c1ccc(F)cc1)[*:1]
COc1ccc(Br)cc1/C=C/C(=O)N[C@@H](C#N)C(C)(C)C CC(C)(C)[*:1] COc1ccc(Br)cc1/C=C/C(=O)N[C@@H](C#N)[*:1]
Cc1ccc(NC(=O)NCCn2cccc2)cc1OCC1CCOCC1 c1ccn(c1)CC[*:1] Cc1ccc(cc1OCC1CCOCC1)NC(=O)N[*:1]
Cc1ccc(NC(=O)NCCn2cccc2)cc1OCC1CCOCC1 C1CC(CCO1)C[*:1] Cc1ccc(cc1O[*:1])NC(=O)NCCn1cccc1
Cc1ccc(NC(=O)NCCn2cccc2)cc1OCC1CCOCC1 C1CC(CCO1)[*:1] Cc1ccc(cc1OC[*:1])NC(=O)NCCn1cccc1
Cc1ccc(NC(=O)NCCn2cccc2)cc1OCC1CCOCC1 c1ccn(c1)C[*:1] Cc1ccc(cc1OCC1CCOCC1)NC(=O)NC[*:1]
Cc1ccc(NC(=O)NCCn2cccc2)cc1OCC1CCOCC1 c1ccn(c1)[*:1] Cc1ccc(cc1OCC1CCOCC1)NC(=O)NCC[*:1]
Cc1ccc(NC(=O)NCCn2cccc2)cc1OCC1CCOCC1 C1CC(CCO1)CO[*:1] Cc1ccc(cc1[*:1])NC(=O)NCCn1cccc1
C[C@@H](NC(=O)c1scnc1C1CC1)c1ccc2c(c1)CCC(=O)N2 C1CC1[*:1] C[C@@H](NC(=O)c1scnc1[*:1])c1ccc2NC(=O)CCc2c1
C[C@@H](NC(=O)c1scnc1C1CC1)c1ccc2c(c1)CCC(=O)N2 c1nc(c(s1)[*:1])C1CC1 C[C@@H](NC(=O)[*:1])c1ccc2NC(=O)CCc2c1
Cn1c(CCCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3ccccc3)ccc21 c1ccc(cc1)[*:1] Cn1c(CCCNC(=O)[C@H]2CCCO2)nc2cc(ccc21)NC(=O)[*:1]
Cn1c(CCCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3ccccc3)ccc21 O=C(N[*:1])c1ccccc1 Cn1c(CCCNC(=O)[C@H]2CCCO2)nc2cc(ccc21)[*:1]
Cn1cnnc1CCNC(=O)NCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] Cn1cnnc1CCNC(=O)NCc1ccc(o1)[*:1]
Cn1cnnc1CCNC(=O)NCc1ccc(C(=O)[O-])o1 Cn1cnnc1[*:1] O=C(NCC[*:1])NCc1ccc(o1)C(=O)[O-]
Cn1cnnc1CCNC(=O)NCc1ccc(C(=O)[O-])o1 Cn1cnnc1C[*:1] O=C(NCc1ccc(o1)C(=O)[O-])NC[*:1]
CC(=O)N[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 CC(=O)N[*:1] C[C@@H](C(=O)Nc1ccc2OCOc2c1)[*:1]
CC(=O)N[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 CC(=O)N[C@@H](C)[*:1] O=C(Nc1ccc2OCOc2c1)[*:1]
CCS(=O)(=O)CCNC(=O)N[C@@H](c1ccccc1)c1ccccn1 CCS(=O)(=O)C[*:1] O=C(NC[*:1])N[C@@H](c1ccccc1)c1ccccn1
CCS(=O)(=O)CCNC(=O)N[C@@H](c1ccccc1)c1ccccn1 CCS(=O)(=O)CC[*:1] O=C(N[C@@H](c1ccccc1)c1ccccn1)N[*:1]
CCS(=O)(=O)CCNC(=O)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] CCS(=O)(=O)CCNC(=O)N[C@@H](c1ccccn1)[*:1]
CCS(=O)(=O)CCNC(=O)N[C@@H](c1ccccc1)c1ccccn1 CCS(=O)(=O)[*:1] O=C(NCC[*:1])N[C@@H](c1ccccc1)c1ccccn1
CCS(=O)(=O)CCNC(=O)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] CCS(=O)(=O)CCNC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(C(=O)CCC(=O)Nc2ccccc2-c2ncc[nH]2)cc1 c1c[nH]c(n1)[*:1] Cc1ccc(cc1)C(=O)CCC(=O)Nc1ccccc1[*:1]
Cc1ccc(C(=O)CCC(=O)Nc2ccccc2-c2ncc[nH]2)cc1 Cc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])Nc1ccccc1-c1ncc[nH]1
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[C@@H](C)C3)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CCOC(=O)c1[nH]ncc1CN1C[C@H](c2ccccc2Cl)OC[C@@H]1C Clc1ccccc1[*:1] CCOC(=O)c1[nH]ncc1CN1C[C@H](OC[C@@H]1C)[*:1]
CCOC(=O)c1[nH]ncc1CN1C[C@H](c2ccccc2Cl)OC[C@@H]1C CCOC(=O)[*:1] C[C@H]1CO[C@H](CN1Cc1cn[nH]c1[*:1])c1ccccc1Cl
CS(=O)(=O)Nc1ccccc1NC(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CS(=O)(=O)Nc1ccccc1NC(=O)[*:1]
CS(=O)(=O)Nc1ccccc1NC(=O)c1cccc(F)c1 CS(=O)(=O)N[*:1] O=C(Nc1ccccc1[*:1])c1cccc(F)c1
COc1cccc(C(N)=O)c1OCc1ccc(F)c2cccnc12 NC(=O)[*:1] COc1cccc(c1OCc1ccc(F)c2cccnc12)[*:1]
Cc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)c2c3c(sc2n1)CCC3 Clc1ccc(cc1)[*:1] Cc1nc(SCc2nnc(o2)[*:1])c2c3CCCc3sc2n1
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CCO[C@@H]2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CSC[C@H]1C(=O)N[*:1]
CC[NH+]1CCN(c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)CC1 C1CCC(C1)[*:1] CC[NH+]1CCN(CC1)c1ccc(NC(=O)[*:1])c(c1)C(=O)[O-]
CC[NH+]1CCN(c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)CC1 O=C(N[*:1])C1CCCC1 CC[NH+]1CCN(CC1)c1ccc(c(c1)C(=O)[O-])[*:1]
CC[NH+]1CCN(c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)CC1 O=C([O-])[*:1] CC[NH+]1CCN(CC1)c1ccc(NC(=O)C2CCCC2)c(c1)[*:1]
O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(cc1)O[*:1]
O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(cc1)[*:1]
O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 O=C([O-])[*:1] O=C(CC[*:1])/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(cc1)Oc1ccccc1
O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 O=C([O-])C[*:1] O=C(C[*:1])/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(cc1)Oc1ccccc1
Cc1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])c(F)c1 O=C([O-])[*:1] Cc1ccc(C(=O)Nc2cccc(F)c2[*:1])c(F)c1
CC1=C(CCNC(=O)c2cnc(-c3ccccc3)nc2)[C@H](C)N=N1 c1ccc(cc1)[*:1] CC1N=N[C@@H](C)C=1CCNC(=O)c1cnc(nc1)[*:1]
CCOC(=O)CCN(C)C(=O)[C@@]1(C)CCCO1 CCOC(=O)[*:1] CN(CC[*:1])C(=O)[C@@]1(C)CCCO1
CC(C)(C)c1ccc(OCC(=O)NCC2(CO)CC2)cc1 OCC1(CC1)C[*:1] CC(C)(C)c1ccc(cc1)OCC(=O)N[*:1]
CC(C)(C)c1ccc(OCC(=O)NCC2(CO)CC2)cc1 OCC1(CC1)[*:1] CC(C)(C)c1ccc(cc1)OCC(=O)NC[*:1]
CC(C)(C)c1ccc(OCC(=O)NCC2(CO)CC2)cc1 CC(C)(C)[*:1] O=C(COc1ccc(cc1)[*:1])NCC1(CO)CC1
N#C/C(=C\c1ccco1)C(=O)N[C@@H]1CCc2ccccc21 c1coc(c1)[*:1] N#CC(=C[*:1])C(=O)N[C@@H]1CCc2ccccc21
COc1cccc(C(=O)NC(C)(C)c2nc(C)c(C)s2)c1F Cc1nc(sc1C)[*:1] COc1cccc(C(=O)NC(C)(C)[*:1])c1F
OC[C@@H](CCc1cccs1)c1cccc(F)c1 c1csc(c1)[*:1] OC[C@@H](CC[*:1])c1cccc(F)c1
CN(Cc1cc(C2CC2)[nH]n1)C(=O)[C@@H](c1ccccc1F)N(C)C CN(C)[*:1] CN(Cc1cc([nH]n1)C1CC1)C(=O)[C@@H](c1ccccc1F)[*:1]
CN(Cc1cc(C2CC2)[nH]n1)C(=O)[C@@H](c1ccccc1F)N(C)C Fc1ccccc1[*:1] CN(Cc1cc([nH]n1)C1CC1)C(=O)[C@@H](N(C)C)[*:1]
CN(Cc1cc(C2CC2)[nH]n1)C(=O)[C@@H](c1ccccc1F)N(C)C c1c(n[nH]c1C1CC1)[*:1] CN(C[*:1])C(=O)[C@@H](c1ccccc1F)N(C)C
CN(Cc1cc(C2CC2)[nH]n1)C(=O)[C@@H](c1ccccc1F)N(C)C C1CC1[*:1] CN(Cc1cc([nH]n1)[*:1])C(=O)[C@@H](c1ccccc1F)N(C)C
Cc1cccc2cc(/C=C3\SC(=N)NC3=O)c(N3CCOCC3)nc12 C1CN(CCO1)[*:1] Cc1cccc2cc(/C=C3\SC(=N)NC3=O)c(nc12)[*:1]
CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1cccc2ccccc12 CNC(=O)[*:1] O=C(Cc1cccc2ccccc12)N1c2ccccc2C[C@H]1[*:1]
Cc1ccccc1[C@@H]1CCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 Cc1ccccc1[*:1] O=C(c1c[nH]c2ccccc2c1=O)N1CC[C@H](C1)[*:1]
O=C(CSc1nccc([O-])n1)n1c2c(c3ccccc31)CCCC2 [O-]c1ccnc(n1)[*:1] O=C(CS[*:1])n1c2CCCCc2c2ccccc21
Cc1noc([C@@H](Nc2snc(Cl)c2C#N)C(C)C)n1 Cc1noc(n1)[*:1] CC(C)[C@H](Nc1snc(Cl)c1C#N)[*:1]
Cc1noc([C@@H](Nc2snc(Cl)c2C#N)C(C)C)n1 CC(C)[*:1] Cc1noc(n1)[C@@H](Nc1snc(Cl)c1C#N)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1 Fc1ccc(c(F)c1F)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[*:1]
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccn1 c1coc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCCC1)[*:1])Nc1ccccn1
CSc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2F)cc1 O=[N+]([O-])[*:1] CSc1ccc(cc1)CN(C)C(=O)c1ccc(cc1F)[*:1]
COc1ccc(N2C(=O)C3=CN=NC3=N[C@@H]2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 c1cc2OCCOc2cc1[*:1] COc1ccc(cc1)N1C(=O)C2=CN=NC2=N[C@@H]1SCC(=O)N[*:1]
COc1ccc(N2C(=O)C3=CN=NC3=N[C@@H]2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)[*:1] O=C(CS[C@H]1N=C2N=NC=C2C(=O)N1[*:1])Nc1ccc2OCCOc2c1
O=C(OCC#Cc1ccccc1)c1ccc(CN2CCCC2=O)cc1 C(#C[*:1])c1ccccc1 O=C(OC[*:1])c1ccc(cc1)CN1CCCC1=O
O=C(OCC#Cc1ccccc1)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(OCC#Cc1ccccc1)c1ccc(cc1)C[*:1]
O=C(OCC#Cc1ccccc1)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] O=C(OCC#Cc1ccccc1)c1ccc(cc1)[*:1]
O=C(OCC#Cc1ccccc1)c1ccc(CN2CCCC2=O)cc1 c1ccc(cc1)[*:1] O=C(OCC#C[*:1])c1ccc(cc1)CN1CCCC1=O
COC(=O)[C@H]1CN(Cc2ccc(-c3ccncc3)cc2F)CCO1 COC(=O)[*:1] Fc1cc(ccc1CN1CCO[C@H](C1)[*:1])-c1ccncc1
COC(=O)[C@H]1CN(Cc2ccc(-c3ccncc3)cc2F)CCO1 c1cc(ccn1)[*:1] COC(=O)[C@H]1CN(CCO1)Cc1ccc(cc1F)[*:1]
CN(CCCS(C)(=O)=O)C(=O)CCc1cscn1 c1nc(cs1)[*:1] CN(CCCS(C)(=O)=O)C(=O)CC[*:1]
CN(CCCS(C)(=O)=O)C(=O)CCc1cscn1 CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)CCc1cscn1
CN(CCCS(C)(=O)=O)C(=O)CCc1cscn1 c1nc(cs1)C[*:1] CN(CCCS(C)(=O)=O)C(=O)C[*:1]
CN(CCCS(C)(=O)=O)C(=O)CCc1cscn1 CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)CCc1cscn1
CN(CCCS(C)(=O)=O)C(=O)CCc1cscn1 CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)CCc1cscn1
CCN(Cc1ccccc1)C(=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)c1ccc(F)cc1
CN(C)c1cccc(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)c1 CN(C)[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CCCCCC1)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)c1 C1CCCC(CC1)[*:1] CN(C)c1cccc(c1)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
O=C(Cn1cnc2ccc(I)cc2c1=O)c1cccs1 c1csc(c1)[*:1] O=C(Cn1cnc2ccc(I)cc2c1=O)[*:1]
CC[C@@H](NC(=O)c1ccc(CNC(=O)[C@H]2CCCO2)cc1)C(=O)[O-] O=C(N[*:1])[C@H]1CCCO1 CC[C@@H](NC(=O)c1ccc(cc1)C[*:1])C(=O)[O-]
CC[C@@H](NC(=O)c1ccc(CNC(=O)[C@H]2CCCO2)cc1)C(=O)[O-] C1CO[C@H](C1)[*:1] CC[C@@H](NC(=O)c1ccc(cc1)CNC(=O)[*:1])C(=O)[O-]
CC[C@@H](NC(=O)c1ccc(CNC(=O)[C@H]2CCCO2)cc1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](NC(=O)c1ccc(cc1)CNC(=O)[C@H]1CCCO1)[*:1]
C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)NCCc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@]1(CCCN(C1)C(=O)NCCc1ccccc1)C(=O)NC[*:1]
C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)NCCc2ccccc2)C1 c1ccc(cc1)CC[*:1] C[C@]1(CCCN(C1)C(=O)N[*:1])C(=O)NCc1ccccc1
C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)NCCc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@]1(CCCN(C1)C(=O)NC[*:1])C(=O)NCc1ccccc1
C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)NCCc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@]1(CCCN(C1)C(=O)NCC[*:1])C(=O)NCc1ccccc1
C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)NCCc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@]1(CCCN(C1)C(=O)NCCc1ccccc1)C(=O)N[*:1]
Cc1ccccc1NC(=O)N[C@@H](C)[C@H](C)CO C[C@H](CO)[*:1] Cc1ccccc1NC(=O)N[C@@H](C)[*:1]
O=C([O-])c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C([O-])c1ccc(cc1[*:1])-c1ccc(F)c(c1)C(F)(F)F
O=C([O-])c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] O=C([O-])[*:1] O=[N+]([O-])c1cc(ccc1[*:1])-c1ccc(F)c(c1)C(F)(F)F
O=C([O-])c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] FC(F)(F)[*:1] O=C([O-])c1ccc(cc1[N+](=O)[O-])-c1ccc(F)c(c1)[*:1]
COc1cccc(/C(C)=N\NC(=O)c2cnccn2)c1 c1cnc(cn1)[*:1] COc1cccc(c1)/C(C)=N\NC(=O)[*:1]
CC(C)CC1=C[C@@H]([C@H]2NN=C3SC(c4ccncc4)=NN32)N=N1 CC(C)C[*:1] C1=C(N=N[C@@H]1[C@H]1NN=C2SC(=NN21)c1ccncc1)[*:1]
CC(C)CC1=C[C@@H]([C@H]2NN=C3SC(c4ccncc4)=NN32)N=N1 CC(C)[*:1] C1=C(C[*:1])N=N[C@@H]1[C@H]1NN=C2SC(=NN21)c1ccncc1
CC(C)CC1=C[C@@H]([C@H]2NN=C3SC(c4ccncc4)=NN32)N=N1 c1cc(ccn1)[*:1] CC(C)CC1=C[C@H](N=N1)[C@H]1NN=C2SC(=NN21)[*:1]
O=c1ccc(-c2ccc3c(c2)OCO3)nn1C1CCCCC1 C1CCC(CC1)[*:1] O=c1ccc(nn1[*:1])-c1ccc2OCOc2c1
Cc1c([C@H]([NH2+]Cc2ccc([S@@](C)=O)cc2)C(C)C)oc2ccccc12 CC(C)[*:1] Cc1c(oc2ccccc12)[C@H]([NH2+]Cc1ccc(cc1)[S@@](C)=O)[*:1]
Cc1c([C@H]([NH2+]Cc2ccc([S@@](C)=O)cc2)C(C)C)oc2ccccc12 C[S@@](=O)[*:1] Cc1c(oc2ccccc12)[C@H]([NH2+]Cc1ccc(cc1)[*:1])C(C)C
COCc1cccc(CNC(=O)N2CCCCC[C@H]2c2ccncc2)c1 COC[*:1] O=C(NCc1cccc(c1)[*:1])N1CCCCC[C@H]1c1ccncc1
COCc1cccc(CNC(=O)N2CCCCC[C@H]2c2ccncc2)c1 c1cc(ccn1)[*:1] COCc1cccc(c1)CNC(=O)N1CCCCC[C@@H]1[*:1]
COc1ccccc1CC(C)(C)NC(=O)C[C@H](O)c1cccc(F)c1 COc1ccccc1[*:1] CC(C)(C[*:1])NC(=O)C[C@H](O)c1cccc(F)c1
COc1ccccc1CC(C)(C)NC(=O)C[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1CC(C)(C)NC(=O)C[C@H](O)[*:1]
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2CO)c1 CC[C@@H](C)[*:1] O=C(NCc1cccc(c1)NC(=O)[*:1])N[C@H]1CCCC[C@@H]1CO
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2CO)c1 CC[C@@H](C)C(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])N[C@H]1CCCC[C@@H]1CO
O=C(NCc1cccs1)C(=O)NC[C@@](O)(c1ccco1)C1CC1 c1coc(c1)[*:1] O=C(NCc1cccs1)C(=O)NC[C@@](O)(C1CC1)[*:1]
O=C(NCc1cccs1)C(=O)NC[C@@](O)(c1ccco1)C1CC1 c1csc(c1)C[*:1] O=C(NC[C@@](O)(c1ccco1)C1CC1)C(=O)N[*:1]
O=C(NCc1cccs1)C(=O)NC[C@@](O)(c1ccco1)C1CC1 c1csc(c1)[*:1] O=C(NC[C@@](O)(c1ccco1)C1CC1)C(=O)NC[*:1]
O=C(NCc1cccs1)C(=O)NC[C@@](O)(c1ccco1)C1CC1 C1CC1[*:1] O=C(NCc1cccs1)C(=O)NC[C@@](O)(c1ccco1)[*:1]
CN(C)C(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 CN(C)C(=O)[*:1] O=C(OC[*:1])c1cc(nc2ccccc12)-c1ccccc1Cl
CN(C)C(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 Clc1ccccc1[*:1] CN(C)C(=O)COC(=O)c1cc(nc2ccccc12)[*:1]
CN(C)C(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 CN(C)C(=O)C[*:1] O=C(O[*:1])c1cc(nc2ccccc12)-c1ccccc1Cl
Cc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3F)CC2)cc1C Fc1ccccc1[*:1] Cc1ccc(/C=C(\C#N)C(=O)N2CCN(CC2)[*:1])cc1C
Cc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3F)CC2)cc1C Cc1ccc(cc1C)[*:1] N#CC(=C[*:1])C(=O)N1CCN(CC1)c1ccccc1F
CCN(C(=O)C[C@H]1SC(N)=NC1=O)[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)C[C@H]1SC(N)=NC1=O)[C@@H](C)[*:1]
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(Br)c[nH]1 Brc1c[nH]c(c1)[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)[*:1]
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(Br)c[nH]1 FC(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)c1cc(Br)c[nH]1
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(Br)c[nH]1 FC(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1cc(Br)c[nH]1
Cc1cc(C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)on1 Fc1ccc(cc1)[*:1] Cc1cc(on1)C(=O)N[C@@H](CC(C)(C)C)[*:1]
Cc1cc(C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)on1 CC(C)(C)[*:1] Cc1cc(on1)C(=O)N[C@@H](C[*:1])c1ccc(F)cc1
Cc1cc(C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)on1 CC(C)(C)C[*:1] Cc1cc(on1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
Cc1cc(C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)on1 Cc1cc(on1)[*:1] CC(C)(C)C[C@H](NC(=O)[*:1])c1ccc(F)cc1
CCc1nn2c(c1-c1ccc(OC)c(OC)c1)NC(=O)[C@H]2CC(=O)Nc1ccc(C)cc1C Cc1ccc(NC(=O)[*:1])c(C)c1 CCc1nn2c(NC(=O)[C@H]2C[*:1])c1-c1ccc(OC)c(c1)OC
CCc1nn2c(c1-c1ccc(OC)c(OC)c1)NC(=O)[C@H]2CC(=O)Nc1ccc(C)cc1C COc1ccc(cc1OC)[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)Nc2ccc(C)cc2C)c1[*:1]
CCc1nn2c(c1-c1ccc(OC)c(OC)c1)NC(=O)[C@H]2CC(=O)Nc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)N[*:1])c1-c1ccc(OC)c(c1)OC
CCCc1cc(NC(=O)N[C@H]2CCOC2)n(C)n1 C1C[C@@H](CO1)[*:1] CCCc1cc(NC(=O)N[*:1])n(C)n1
CCCc1cc(NC(=O)N[C@H]2CCOC2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)N[C@H]1CCOC1)[*:1]
CCc1ccccc1CN/C(NC1CCN(c2cccc[nH+]2)CC1)=[NH+]\C CCc1ccccc1[*:1] C/[NH+]=C(\NC[*:1])NC1CCN(CC1)c1cccc[nH+]1
Nc1nc(Cl)cc(N[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 c1ccc(cc1)[*:1] Nc1nc(Cl)cc(n1)N[C@H]1CC(=O)N(C1)C[*:1]
Nc1nc(Cl)cc(N[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 c1ccc(cc1)C[*:1] Nc1nc(Cl)cc(n1)N[C@H]1CC(=O)N(C1)[*:1]
CC(C)NS(=O)(=O)c1ccc(NCc2cn3cccnc3n2)cc1 CC(C)[*:1] O=S(=O)(N[*:1])c1ccc(cc1)NCc1cn2cccnc2n1
CC(C)NS(=O)(=O)c1ccc(NCc2cn3cccnc3n2)cc1 CC(C)NS(=O)(=O)[*:1] c1cnc2nc(cn2c1)CNc1ccc(cc1)[*:1]
Cc1cccc([C@H](C)[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)[C@H](C)[NH2+][C@H](c1nc(no1)-c1nc[nH]n1)[*:1]
Cc1cccc([C@H](C)[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1 c1nc(n[nH]1)[*:1] Cc1cccc(c1)[C@H](C)[NH2+][C@H](c1nc(no1)[*:1])C(C)C
Cc1cccc([C@H](C)[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@H]([NH2+][C@@H](C)[*:1])c1nc(no1)-c1nc[nH]n1
Cc1sc(-n2cccc2)c(C(=O)N2CCN(c3nccs3)CC2)c1C c1csc(n1)[*:1] Cc1sc(c(C(=O)N2CCN(CC2)[*:1])c1C)-n1cccc1
Cc1sc(-n2cccc2)c(C(=O)N2CCN(c3nccs3)CC2)c1C c1ccn(c1)[*:1] Cc1sc(c(C(=O)N2CCN(CC2)c2nccs2)c1C)[*:1]
O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O c1ccc(cc1)[*:1] O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc2C(=O)N(C(=O)c12)[*:1]
O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O Clc1ccc(cc1)[*:1] O=C(C[*:1])NC(=S)Nc1cccc2C(=O)N(C(=O)c12)c1ccccc1
O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O Clc1ccc(cc1)C[*:1] O=C1c2cccc(NC(=S)NC(=O)[*:1])c2C(=O)N1c1ccccc1
C[NH+](Cc1ccc(C[NH2+]C2CC2)cn1)CC1CC1 C1CC1[NH2+]C[*:1] C[NH+](Cc1ccc(cn1)[*:1])CC1CC1
C[NH+](Cc1ccc(C[NH2+]C2CC2)cn1)CC1CC1 C1CC1[*:1] C[NH+](Cc1ccc(cn1)C[NH2+]C1CC1)C[*:1]
C[NH+](Cc1ccc(C[NH2+]C2CC2)cn1)CC1CC1 C1CC1[*:1] C[NH+](Cc1ccc(cn1)C[NH2+][*:1])CC1CC1
C[NH+](Cc1ccc(C[NH2+]C2CC2)cn1)CC1CC1 C1CC1C[*:1] C[NH+](Cc1ccc(cn1)C[NH2+]C1CC1)[*:1]
Cc1cc(C)c(-c2csc(NC(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)n2)cc1C Cc1cc(C)c(cc1C)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1nc(cs1)[*:1])C2=O
CC1(C)C(NC(=O)c2cc(F)c(F)cc2C(=O)[O-])C1(C)C CC1(C)C(C1(C)C)[*:1] O=C([O-])c1cc(F)c(F)cc1C(=O)N[*:1]
CC1(C)C(NC(=O)c2cc(F)c(F)cc2C(=O)[O-])C1(C)C O=C([O-])[*:1] CC1(C)C(NC(=O)c2cc(F)c(F)cc2[*:1])C1(C)C
Cc1cc(NC(=O)CC[C@H](C)O)[nH]n1 C[C@H](O)[*:1] Cc1cc(NC(=O)CC[*:1])[nH]n1
Cc1cc(NC(=O)CC[C@H](C)O)[nH]n1 C[C@H](O)C[*:1] Cc1cc(NC(=O)C[*:1])[nH]n1
CCCCC/C(C)=N/NC(=O)C1CCCCC1 CCCCC[*:1] CC(=NNC(=O)C1CCCCC1)[*:1]
CCCCC/C(C)=N/NC(=O)C1CCCCC1 CCC[*:1] C/C(CC[*:1])=N\NC(=O)C1CCCCC1
CCCCC/C(C)=N/NC(=O)C1CCCCC1 CCCC[*:1] C/C(C[*:1])=N\NC(=O)C1CCCCC1
CCO[C@@H](C)c1noc(CN2CCC[C@@H]2c2noc(C)n2)n1 CCO[*:1] Cc1nc(no1)[C@H]1CCCN1Cc1nc(no1)[C@H](C)[*:1]
CCO[C@@H](C)c1noc(CN2CCC[C@@H]2c2noc(C)n2)n1 Cc1nc(no1)[*:1] CCO[C@@H](C)c1noc(CN2CCC[C@H]2[*:1])n1
CCO[C@@H](C)c1noc(CN2CCC[C@@H]2c2noc(C)n2)n1 CCO[C@@H](C)[*:1] Cc1nc(no1)[C@H]1CCCN1Cc1nc(no1)[*:1]
Cc1cc(C)cc(C2(C(=O)NCCc3cccnc3)CC2)c1 c1cncc(c1)[*:1] Cc1cc(C)cc(c1)C1(CC1)C(=O)NCC[*:1]
Cc1cc(C)cc(C2(C(=O)NCCc3cccnc3)CC2)c1 c1cncc(c1)C[*:1] Cc1cc(C)cc(c1)C1(CC1)C(=O)NC[*:1]
CCCN[C@H](c1sccc1C)C(F)(F)C(F)F FC(F)[*:1] CCCN[C@H](c1sccc1C)C(F)(F)[*:1]
CCCN[C@H](c1sccc1C)C(F)(F)C(F)F CCCN[*:1] Cc1ccsc1[C@H](C(F)(F)C(F)F)[*:1]
CCCN[C@H](c1sccc1C)C(F)(F)C(F)F CCC[*:1] Cc1ccsc1[C@@H](N[*:1])C(F)(F)C(F)F
CC1(C)CN(C(=O)c2ccccc2-c2ccccc2)CC[S@]1=O c1ccc(cc1)[*:1] CC1(C)CN(CC[S@]1=O)C(=O)c1ccccc1[*:1]
COC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@H]1c1ccccc1Cl COC(=O)[*:1] COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C([C@@H]1c1ccccc1Cl)[*:1]
COC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@H]1c1ccccc1Cl COC(=O)[*:1] COC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C([C@H]1c1ccccc1Cl)[*:1]
COC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1[*:1]
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1nnc(o1)-c1cccc(c1)[N+](=O)[O-])N[*:1]
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)NCc1ccccc1 O=[N+]([O-])[*:1] O=C(CSc1nnc(o1)-c1cccc(c1)[*:1])NCc1ccccc1
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1cccc(c1)[N+](=O)[O-])NC[*:1]
C[C@H](NC(=O)COc1cccc2c1OC(C)(C)C2)C(N)=O C[C@H](C(N)=O)[*:1] CC1(C)Cc2cccc(OCC(=O)N[*:1])c2O1
C[C@H](NC(=O)COc1cccc2c1OC(C)(C)C2)C(N)=O NC(=O)[*:1] C[C@H](NC(=O)COc1cccc2CC(C)(C)Oc21)[*:1]
CC(C)C[C@H]1CCCN1C(=O)C1C[C@H](C)O[C@@H](C)C1 CC(C)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC[C@@H]1C[*:1]
CC(C)C[C@H]1CCCN1C(=O)C1C[C@H](C)O[C@@H](C)C1 CC(C)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC[C@@H]1[*:1]
CCCCS(=O)(=O)NC1CCC([NH+]2CCCCC2)CC1 CCC[*:1] O=S(=O)(C[*:1])NC1CCC(CC1)[NH+]1CCCCC1
CCCCS(=O)(=O)NC1CCC([NH+]2CCCCC2)CC1 CCCC[*:1] O=S(=O)(NC1CCC(CC1)[NH+]1CCCCC1)[*:1]
Cc1cc(C(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)ccc1N1CCOCC1 O=c1cc(nc[nH]1)[*:1] Cc1cc(ccc1N1CCOCC1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1cc(C(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)ccc1N1CCOCC1 C1CN(CCO1)[*:1] Cc1cc(ccc1[*:1])C(=O)N1CCC[C@@H](C1)c1cc(=O)[nH]cn1
CCN(C)C(=O)CCC(=O)c1cccs1 c1csc(c1)[*:1] CCN(C)C(=O)CCC(=O)[*:1]
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(C)cc1S(=O)(=O)N(CC(=O)[O-])[*:1]
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(C)cc1 O=C([O-])[*:1] COc1ccc(C)cc1S(=O)(=O)N(C[*:1])c1ccc(C)cc1
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(C)cc1 O=C([O-])C[*:1] COc1ccc(C)cc1S(=O)(=O)N(c1ccc(C)cc1)[*:1]
C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@@H](Sc1nc(cc(n1)[*:1])C(F)(F)F)C(=O)NC[C@@H]1CCCO1
C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)C(=O)NC[*:1]
C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC[C@@H]1CCCO1 O=C(NC[C@@H]1CCCO1)[*:1] C[C@@H](Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)[*:1]
C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H](Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)C(=O)N[*:1]
C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC[C@@H]1CCCO1 FC(F)(F)[*:1] C[C@@H](Sc1nc(cc(n1)[*:1])-c1ccccc1)C(=O)NC[C@@H]1CCCO1
COC(=O)C(C)(C)[C@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 COC(=O)C(C)(C)[*:1] N#Cc1cc(F)c(c(F)c1)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)c1c(F)cc(C#N)cc1F)[*:1]
O=C(COC(=O)c1ccccc1I)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(COC(=O)c1ccccc1I)N[*:1]
O=C(COC(=O)c1ccccc1I)Nc1cccc(Cl)c1 Ic1ccccc1[*:1] O=C(COC(=O)[*:1])Nc1cccc(Cl)c1
C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1cccc(Cl)c1 C1CC1N[*:1] C[C@H](Sc1nnc(s1)[*:1])C(=O)Nc1cccc(Cl)c1
C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](Sc1nnc(NC2CC2)s1)C(=O)N[*:1]
C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1cccc(Cl)c1 C1CC1[*:1] C[C@H](Sc1nnc(N[*:1])s1)C(=O)Nc1cccc(Cl)c1
CCCc1ccc([C@]2(C)NC(=O)N(C[C@@H]3CC3(Cl)Cl)C2=O)cc1 CCC[*:1] C[C@]1(NC(=O)N(C[C@@H]2CC2(Cl)Cl)C1=O)c1ccc(cc1)[*:1]
Cc1cc(-n2c(C)cc(C(=O)COc3ccc(F)cc3Cl)c2C)no1 Fc1ccc(c(Cl)c1)[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)CO[*:1])c1C
Cc1cc(-n2c(C)cc(C(=O)COc3ccc(F)cc3Cl)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)COc2ccc(F)cc2Cl)c(C)n1[*:1]
NC(=O)N1CCC[C@H](C(=O)NCc2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
CN(C[C@H](O)C1CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)c1ccc(NC2CC2)c(c1)[N+](=O)[O-]
CN(C[C@H](O)C1CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(C[C@H](O)C1CC1)C(=O)c1ccc(NC2CC2)c(c1)[*:1]
CN(C[C@H](O)C1CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] CN(C[C@H](O)C1CC1)C(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
CN(C[C@H](O)C1CC1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1N[*:1] CN(C[C@H](O)C1CC1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCC[C@@H]1CN(C(=O)[C@@H](C)OC)CCO1 CO[C@H](C)[*:1] CCC[C@@H]1CN(CCO1)C(=O)[*:1]
CCC[C@@H]1CN(C(=O)[C@@H](C)OC)CCO1 CCC[*:1] CO[C@H](C)C(=O)N1CCO[C@@H](C1)[*:1]
CSC[C@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 CSC[*:1] C[C@H](NC(=O)N1CCC[C@H](C1)[NH+](C)C)[*:1]
CSC[C@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 CSC[C@H](C)[*:1] C[NH+](C)[C@@H]1CCCN(C1)C(=O)N[*:1]
CC(=O)c1csc([C@@]2(C)CCCO2)n1 CC(=O)[*:1] C[C@@]1(CCCO1)c1nc(cs1)[*:1]
Nc1ccc2nc(S(=O)(=O)Cc3cccc(O)c3)oc2c1 Oc1cccc(c1)[*:1] Nc1ccc2nc(oc2c1)S(=O)(=O)C[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C1CC[C@H](N1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCc1ccc(CC)c(NC(=O)C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 FC(F)(F)[*:1] CCc1ccc(CC)c(c1)NC(=O)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
Cc1cc(C)nc([C@H](C#N)C(=O)CCNC(=O)Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)[C@H](C#N)C(=O)CCNC(=O)C[*:1]
Cc1cc(C)nc([C@H](C#N)C(=O)CCNC(=O)Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(C)nc(n1)[C@H](C#N)C(=O)CCNC(=O)[*:1]
Cc1cc(C)nc([C@H](C#N)C(=O)CCNC(=O)Cc2ccccc2)n1 Cc1cc(C)nc(n1)[*:1] N#C[C@H](C(=O)CCNC(=O)Cc1ccccc1)[*:1]
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1 CC(C)(C)[*:1] O=C(NCc1cccc(Cl)c1)[C@@H]1CSCN1C(=O)[*:1]
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NC[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c1 Fc1cccc(c1)O[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c1 CN(C)S(=O)(=O)[*:1] O=C(Nc1ccc(cc1)Oc1cccc(F)c1)c1cc(ccc1Cl)[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)c1 Fc1cccc(c1)[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(cc1)O[*:1]
C=CCn1c(SCc2ccc(-n3nc(C)cc3C)cc2)nnc1C1CC1 C1CC1[*:1] C=CCn1c(nnc1[*:1])SCc1ccc(cc1)-n1nc(C)cc1C
C=CCn1c(SCc2ccc(-n3nc(C)cc3C)cc2)nnc1C1CC1 C=CC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)CSc1nnc(C2CC2)n1[*:1]
C=CCn1c(SCc2ccc(-n3nc(C)cc3C)cc2)nnc1C1CC1 Cc1cc(C)n(n1)[*:1] C=CCn1c(nnc1C1CC1)SCc1ccc(cc1)[*:1]
CC(C)Nc1cccc(CNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 CC(C)[*:1] CC(C)(C)N1C[C@@H](CC1=O)NC(=O)NCc1cccc(c1)N[*:1]
CC(C)Nc1cccc(CNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 CC(C)(C)[*:1] CC(C)Nc1cccc(c1)CNC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CC(C)Nc1cccc(CNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 CC(C)N[*:1] CC(C)(C)N1C[C@@H](CC1=O)NC(=O)NCc1cccc(c1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Cc1ccc(-c2csc(C)n2)cc1 CNC(=O)[*:1] Cc1nc(cs1)-c1ccc(cc1)CC(=O)N(C)C[C@@H](C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Cc1ccc(-c2csc(C)n2)cc1 Cc1nc(cs1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)Cc1ccc(cc1)[*:1]
C[NH2+]Cc1ccc(Br)cc1SC[C@@H](O)CO OC[C@H](O)[*:1] C[NH2+]Cc1ccc(Br)cc1SC[*:1]
C[NH2+]Cc1ccc(Br)cc1SC[C@@H](O)CO OC[C@H](O)C[*:1] C[NH2+]Cc1ccc(Br)cc1S[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)c1C1CC1 O=C1CCCN1[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC[C@@H](C2)[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)c1C1CC1 CC[C@@H](C)[*:1] O=C(c1cnn(c1C1CC1)[*:1])N1CCC[C@H](C1)N1CCCC1=O
CC[C@@H](C)n1ncc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](C2)N2CCCC2=O)c1[*:1]
Cc1cc(C(=O)NCCCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NCCC[*:1]
Cc1cc(C(=O)NCCCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NCCCc1ccc(Cl)cc1
O=C(CCCC1CCCCC1)Nc1cccc(-c2nnn[n-]2)c1 C1CCC(CC1)C[*:1] O=C(CC[*:1])Nc1cccc(c1)-c1nnn[n-]1
O=C(CCCC1CCCCC1)Nc1cccc(-c2nnn[n-]2)c1 C1CCC(CC1)[*:1] O=C(CCC[*:1])Nc1cccc(c1)-c1nnn[n-]1
COc1c(Cl)ccc2sc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)nc12 CN(C)c1ccc(cc1)[*:1] COc1c(Cl)ccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
COc1c(Cl)ccc2sc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)nc12 CN(C)[*:1] COc1c(Cl)ccc2sc(nc12)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1occc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1occc1[*:1])c1ccc(cc1)-n1ccnc1
C[C@H](NC(=O)c1occc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NC(=O)c1occc1-c1ccccc1)c1ccc(cc1)[*:1]
Cc1cc(F)cc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] Cc1cc(F)cc(C=C[*:1])c1
O=C(COc1ccc(OCc2ccccc2)cc1)N1CC[C@H](O)C1 c1ccc(cc1)C[*:1] O=C(COc1ccc(cc1)O[*:1])N1CC[C@H](O)C1
O=C(COc1ccc(OCc2ccccc2)cc1)N1CC[C@H](O)C1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)OC[*:1])N1CC[C@H](O)C1
O=C(COc1ccc(OCc2ccccc2)cc1)N1CC[C@H](O)C1 c1ccc(cc1)CO[*:1] O=C(COc1ccc(cc1)[*:1])N1CC[C@H](O)C1
CCSc1nn(CC(=O)Nc2ccccc2Cl)c(N)c1S(=O)(=O)c1ccc(C)cc1 O=C(Nc1ccccc1Cl)[*:1] CCSc1nn(C[*:1])c(N)c1S(=O)(=O)c1ccc(C)cc1
CCSc1nn(CC(=O)Nc2ccccc2Cl)c(N)c1S(=O)(=O)c1ccc(C)cc1 CCS[*:1] Cc1ccc(cc1)S(=O)(=O)c1c(nn(CC(=O)Nc2ccccc2Cl)c1N)[*:1]
CCSc1nn(CC(=O)Nc2ccccc2Cl)c(N)c1S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCSc1nn(CC(=O)Nc2ccccc2Cl)c(N)c1S(=O)(=O)[*:1]
CCSc1nn(CC(=O)Nc2ccccc2Cl)c(N)c1S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] CCSc1nn(CC(=O)Nc2ccccc2Cl)c(N)c1[*:1]
CCSc1nn(CC(=O)Nc2ccccc2Cl)c(N)c1S(=O)(=O)c1ccc(C)cc1 Clc1ccccc1[*:1] CCSc1nn(CC(=O)N[*:1])c(N)c1S(=O)(=O)c1ccc(C)cc1
CCOc1nc2ccccc2nc1N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCOc1nc2ccccc2nc1N1CCC(CC1)C(=O)NC[*:1]
CCOc1nc2ccccc2nc1N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] CCOc1nc2ccccc2nc1N1CCC(CC1)C(=O)N[*:1]
CCOc1nc2ccccc2nc1N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 CCO[*:1] O=C(NCc1ccc(Cl)cc1)C1CCN(CC1)c1nc2ccccc2nc1[*:1]
FC(F)(F)c1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 Brc1ccc(cc1)[*:1] FC(F)(F)c1ccc(cc1)CN1CC[NH+](CC1)C[*:1]
FC(F)(F)c1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 FC(F)(F)[*:1] Brc1ccc(cc1)C[NH+]1CCN(CC1)Cc1ccc(cc1)[*:1]
FC(F)(F)c1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 Brc1ccc(cc1)C[*:1] FC(F)(F)c1ccc(cc1)CN1CC[NH+](CC1)[*:1]
C[C@@H]1CC(C)(C)C[C@@]2(CC[NH2+]C[C@@H]2c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CC(C)(C)C[C@@]2(CC[NH2+]C[C@H]2[*:1])C1
CCOc1ncccc1CNc1ccc(C(F)(F)F)cn1 CCO[*:1] FC(F)(F)c1ccc(nc1)NCc1cccnc1[*:1]
CCOc1ncccc1CNc1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] CCOc1ncccc1CNc1ccc(cn1)[*:1]
C[C@@H]1CCCN(C(=O)CCc2ccco2)C1 c1coc(c1)[*:1] C[C@@H]1CCCN(C1)C(=O)CC[*:1]
CCOC(=O)N1[C@H](C(=O)OCC(F)F)CC[C@@H]1c1ccc(C)o1 FC(F)C[*:1] CCOC(=O)N1[C@@H](CC[C@@H]1c1ccc(C)o1)C(=O)O[*:1]
CCOC(=O)N1[C@H](C(=O)OCC(F)F)CC[C@@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] CCOC(=O)N1[C@@H](CC[C@H]1[*:1])C(=O)OCC(F)F
CCOC(=O)N1[C@H](C(=O)OCC(F)F)CC[C@@H]1c1ccc(C)o1 O=C(OCC(F)F)[*:1] CCOC(=O)N1[C@H](CC[C@@H]1c1ccc(C)o1)[*:1]
CCOC(=O)N1[C@H](C(=O)OCC(F)F)CC[C@@H]1c1ccc(C)o1 FC(F)[*:1] CCOC(=O)N1[C@@H](CC[C@@H]1c1ccc(C)o1)C(=O)OC[*:1]
CCC(=O)c1ccc(OCc2nc(-c3ccccn3)no2)cc1 CCC(=O)[*:1] c1ccc(nc1)-c1noc(COc2ccc(cc2)[*:1])n1
CCC(=O)c1ccc(OCc2nc(-c3ccccn3)no2)cc1 c1ccc(nc1)[*:1] CCC(=O)c1ccc(cc1)OCc1nc(no1)[*:1]
Cn1cc(CNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)CNC(=O)c1sc2cc(ccc2c1Cl)[*:1]
Cn1cc(CNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cn1 Cn1cc(cn1)[*:1] O=C(NC[*:1])c1sc2cc(ccc2c1Cl)[N+](=O)[O-]
Cn1cc(CNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cn1 Cn1cc(cn1)C[*:1] O=C(N[*:1])c1sc2cc(ccc2c1Cl)[N+](=O)[O-]
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)[O-] N#CC(=C[*:1])C(=O)[O-] FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(o1)[*:1]
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)[O-] FC(F)(F)[*:1] N#C/C(=C\c1ccc(o1)-c1cc(ccc1Cl)[*:1])C(=O)[O-]
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)[O-] O=C([O-])[*:1] N#CC(=Cc1ccc(o1)-c1cc(ccc1Cl)C(F)(F)F)[*:1]
O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 O=C([O-])C[*:1] O=C(N[C@H](c1ccc2OCOc2c1)[*:1])c1ccc(Cl)cc1
O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 O=C([O-])[*:1] O=C(N[C@@H](C[*:1])c1ccc2OCOc2c1)c1ccc(Cl)cc1
O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] O=C([O-])C[C@H](NC(=O)[*:1])c1ccc2OCOc2c1
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCC[C@H](C)C2)cc1F C[C@H]1CCC[C@@H](C1)C[*:1] CCS(=O)(=O)[N-]c1ccc(cc1F)S(=O)(=O)N[*:1]
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCC[C@H](C)C2)cc1F C[C@H]1CCC[C@@H](C1)[*:1] CCS(=O)(=O)[N-]c1ccc(cc1F)S(=O)(=O)NC[*:1]
CC(C)c1ccc2c(cnn2C)c1Br CC(C)[*:1] Cn1ncc2c(Br)c(ccc21)[*:1]
O=C(Cc1ccc(-c2ccccc2)cc1)NCC1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[*:1])NCC1CCN(CC1)c1cccc[nH+]1
CCn1c([O-])c2ccc(C(=O)N[C@H](C)CC#N)cc2nc1=S C[C@H](CC#N)[*:1] CCn1c([O-])c2ccc(cc2nc1=S)C(=O)N[*:1]
CCn1c([O-])c2ccc(C(=O)N[C@H](C)CC#N)cc2nc1=S N#CC[*:1] CCn1c([O-])c2ccc(cc2nc1=S)C(=O)N[C@H](C)[*:1]
COc1ccccc1/C=C/C[NH+]1CCCN(c2cccnn2)CC1 c1cnnc(c1)[*:1] COc1ccccc1/C=C/C[NH+]1CCCN(CC1)[*:1]
COc1ccccc1/C=C/C[NH+]1CCCN(c2cccnn2)CC1 COc1ccccc1[*:1] C(=C[*:1])C[NH+]1CCCN(CC1)c1cccnn1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ncoc2C(C)C)C1=O CCC[*:1] CC(C)c1ocnc1CN1C(=O)N[C@](C[*:1])(C1=O)c1ccc(F)cc1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ncoc2C(C)C)C1=O CC(C)c1ocnc1[*:1] CCCC[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ncoc2C(C)C)C1=O CCCC[*:1] CC(C)c1ocnc1CN1C(=O)N[C@@](C1=O)(c1ccc(F)cc1)[*:1]
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ncoc2C(C)C)C1=O CC(C)c1ocnc1C[*:1] CCCC[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(F)cc1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ncoc2C(C)C)C1=O CC(C)[*:1] CCCC[C@]1(NC(=O)N(Cc2ncoc2[*:1])C1=O)c1ccc(F)cc1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ncoc2C(C)C)C1=O Fc1ccc(cc1)[*:1] CCCC[C@]1(NC(=O)N(Cc2ncoc2C(C)C)C1=O)[*:1]
O=C(NCCC1=CCCCC1)c1csc(Nc2cccnc2)n1 c1cncc(c1)N[*:1] O=C(NCCC1=CCCCC1)c1csc(n1)[*:1]
O=C(NCCC1=CCCCC1)c1csc(Nc2cccnc2)n1 c1cncc(c1)[*:1] O=C(NCCC1=CCCCC1)c1csc(n1)N[*:1]
CCOC(=O)[C@H](CC(C)C)c1nc2ccc(F)cc2[nH]1 CC(C)C[*:1] CCOC(=O)[C@H](c1nc2ccc(F)cc2[nH]1)[*:1]
CCOC(=O)[C@H](CC(C)C)c1nc2ccc(F)cc2[nH]1 CCOC(=O)[*:1] CC(C)C[C@H](c1nc2ccc(F)cc2[nH]1)[*:1]
CCOC(=O)[C@H](CC(C)C)c1nc2ccc(F)cc2[nH]1 CC(C)[*:1] CCOC(=O)[C@H](C[*:1])c1nc2ccc(F)cc2[nH]1
C[NH+](C)CCCn1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O C1CN(CCO1)CC[*:1] C[NH+](C)CCCn1ccc2nc3ccn(c(=O)c3cc2c1=O)[*:1]
C[NH+](C)CCCn1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O C1CN(CCO1)C[*:1] C[NH+](C)CCCn1ccc2nc3ccn(C[*:1])c(=O)c3cc2c1=O
C[NH+](C)CCCn1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O C1CN(CCO1)[*:1] C[NH+](C)CCCn1ccc2nc3ccn(CC[*:1])c(=O)c3cc2c1=O
CCN(c1cc(C)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 O=[N+]([O-])[*:1] CCN(c1cc(C)ccc1[*:1])[C@@H]1CC[NH2+]C1
O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cn2ncsc2=S)CC1 S=c1scnn1C[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)[*:1]
CCCNC(=O)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)[C@@H](C)CC CC[C@H](C)[*:1] CCCNC(=O)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)[*:1]
CCCNC(=O)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)[C@@H](C)CC CCC[*:1] CC[C@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[*:1]
CCCNC(=O)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)[C@@H](C)CC CCCNC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)[*:1]
O=C(c1n[nH]c2c1CCCC2)N1CCC(c2n[nH]c(C3CC3)n2)CC1 C1CC1[*:1] O=C(c1n[nH]c2CCCCc12)N1CCC(CC1)c1n[nH]c(n1)[*:1]
O=C(c1n[nH]c2c1CCCC2)N1CCC(c2n[nH]c(C3CC3)n2)CC1 C1CC1c1nc(n[nH]1)[*:1] O=C(c1n[nH]c2CCCCc12)N1CCC(CC1)[*:1]
C[NH+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccsc1 c1cc(cs1)[*:1] C[NH+](CC(=O)Nc1ccc(F)c(F)c1)C[*:1]
C[NH+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccsc1 c1cc(cs1)C[*:1] C[NH+](CC(=O)Nc1ccc(F)c(F)c1)[*:1]
Cc1ccc(NC(=O)C2CC[NH+](Cn3nc(C4CC4)n(Cc4ccccc4)c3=S)CC2)nc1 Cc1ccc(nc1)NC(=O)[*:1] S=c1n(C[NH+]2CCC(CC2)[*:1])nc(C2CC2)n1Cc1ccccc1
Cc1ccc(NC(=O)C2CC[NH+](Cn3nc(C4CC4)n(Cc4ccccc4)c3=S)CC2)nc1 c1ccc(cc1)[*:1] Cc1ccc(nc1)NC(=O)C1CC[NH+](CC1)Cn1nc(C2CC2)n(C[*:1])c1=S
Cc1ccc(NC(=O)C2CC[NH+](Cn3nc(C4CC4)n(Cc4ccccc4)c3=S)CC2)nc1 c1ccc(cc1)C[*:1] Cc1ccc(nc1)NC(=O)C1CC[NH+](CC1)Cn1nc(C2CC2)n(c1=S)[*:1]
Cc1ccc(NC(=O)C2CC[NH+](Cn3nc(C4CC4)n(Cc4ccccc4)c3=S)CC2)nc1 C1CC1[*:1] Cc1ccc(nc1)NC(=O)C1CC[NH+](CC1)Cn1nc(n(Cc2ccccc2)c1=S)[*:1]
Cc1ccc(NC(=O)C2CC[NH+](Cn3nc(C4CC4)n(Cc4ccccc4)c3=S)CC2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cn1nc(C2CC2)n(Cc2ccccc2)c1=S
N#Cc1ccc(OC[C@@H](O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 N#Cc1ccc(cc1)O[*:1] O=S1(=O)c2cccc3cccc(c23)N1C[C@H](O)C[*:1]
N#Cc1ccc(OC[C@@H](O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 N#Cc1ccc(cc1)[*:1] O=S1(=O)c2cccc3cccc(c23)N1C[C@H](O)CO[*:1]
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/O)c3ccccc32)cc1 ON=C[*:1] Cc1ccc(cc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(c2ccccc21)[*:1]
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/O)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C1[C@H]2[C@H](C(=O)N1[*:1])C1c3ccccc3C2(/C=N/O)c2ccccc21
Cc1ccc([C@@H]2CC(=O)NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@H]32)c(C)c1 Clc1ccccc1C[*:1] Cc1ccc(c(C)c1)[C@@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)S[*:1]
Cc1ccc([C@@H]2CC(=O)NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@H]32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1C[C@H]([C@@H]2C(=O)N=C(N=C2N1)SCc1ccccc1Cl)[*:1]
Cc1ccc([C@@H]2CC(=O)NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@H]32)c(C)c1 Clc1ccccc1[*:1] Cc1ccc(c(C)c1)[C@@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)SC[*:1]
CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 N#CCC[*:1] CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccccc1)[*:1]
CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 CC[C@H](C)[*:1] C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)[*:1]
CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCC#N)[*:1]
CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 N#CC[*:1] CC[C@H](C)[C@@H](C)[NH2+][C@@H](C[*:1])c1ccccc1
Cc1ccc([C@@H](C)NC(=O)c2csc(C#CCCO)c2)o1 OCCC#C[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)c1csc(c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)c2csc(C#CCCO)c2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)c1csc(C#CCCO)c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)c2csc(C#CCCO)c2)o1 OCC[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)c1csc(C#C[*:1])c1
COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])C1C2C(=O)CCCC=2N(C)C2CCCC(=O)C=21
COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])C1C2C(=O)CCCC=2N(C)C2CCCC(=O)C=21
COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])C1C2C(=O)CCCC=2N(C)C2CCCC(=O)C=21
C[C@H]1[C@@H](C)SCCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 NS(=O)(=O)[*:1] C[C@H]1[C@@H](C)SCCN1C(=O)c1ccc(c(F)c1)[*:1]
CCOc1ccc([C@@H](NC)C(C)(C)[NH+](C)C)cc1 CCO[*:1] CN[C@H](c1ccc(cc1)[*:1])C(C)(C)[NH+](C)C
CN(C)c1ncc2c(n1)CCN(C(=O)c1cc3ccccc3o1)C2 CN(C)[*:1] O=C(c1cc2ccccc2o1)N1CCc2nc(ncc2C1)[*:1]
O=C(Nc1ccccc1F)N1CCn2cccc2[C@H]1c1ccc(F)cc1 Fc1ccccc1[*:1] O=C(N[*:1])N1CCn2cccc2[C@H]1c1ccc(F)cc1
O=C(Nc1ccccc1F)N1CCn2cccc2[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1F)N1CCn2cccc2[C@@H]1[*:1]
N#Cc1ccc(NCC2CCN(C(=O)C(F)(F)F)CC2)nc1 FC(F)(F)[*:1] N#Cc1ccc(nc1)NCC1CCN(CC1)C(=O)[*:1]
Nc1ccc(=O)n(CCOc2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] Nc1ccc(=O)n(c1)CCOc1ccc(cc1)[*:1]
C=CCN(C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1nc2c(s1)CCCC2 C=CC[*:1] C[C@]12CCC(=O)N1[C@@H](CS2)C(=O)N(c1nc2CCCCc2s1)[*:1]
C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1nncs1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCN(CC1)[*:1])C(=O)Nc1nncs1
C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1nncs1 c1nnc(s1)[*:1] C[C@H](NC(=O)N1CCN(CC1)c1ccc(Cl)cc1)C(=O)N[*:1]
C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1nncs1 O=C(Nc1nncs1)[*:1] C[C@H](NC(=O)N1CCN(CC1)c1ccc(Cl)cc1)[*:1]
Cc1ccc([C@@]2(C)NC(=O)N(CCn3c(=O)oc4cccnc43)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CCn2c(=O)oc3cccnc32)C1=O)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(OC(C)(C)C)cc2)n1 CC(C)(C)[*:1] CC(C)c1csc(n1)[C@H](C#N)C(=O)c1ccc(cc1)O[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(OC(C)(C)C)cc2)n1 CC(C)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)[C@@H](C#N)c1nc(cs1)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(OC(C)(C)C)cc2)n1 CC(C)c1csc(n1)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)[C@@H](C#N)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(OC(C)(C)C)cc2)n1 CC(C)(C)O[*:1] CC(C)c1csc(n1)[C@H](C#N)C(=O)c1ccc(cc1)[*:1]
CCNc1cc(C[NH+]2CCC(CC)CC2)ccc1[N+](=O)[O-] CCN[*:1] CCC1CC[NH+](CC1)Cc1ccc(c(c1)[*:1])[N+](=O)[O-]
CCNc1cc(C[NH+]2CCC(CC)CC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1cc(ccc1[*:1])C[NH+]1CCC(CC)CC1
COc1ccc2cc([C@@H](C)[S@@](=O)c3nncn3C(C)C)ccc2c1 CC(C)[*:1] COc1ccc2cc(ccc2c1)[C@@H](C)[S@@](=O)c1nncn1[*:1]
CC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2C)c1 CC(=O)c1cccc(c1)[*:1] Cc1cc(ccc1S(=O)(=O)N[*:1])N1C(=O)C(C)(C)CS1(=O)=O
CC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2C)c1 CC1(C)CS(=O)(=O)N(C1=O)[*:1] CC(=O)c1cccc(c1)NS(=O)(=O)c1ccc(cc1C)[*:1]
CC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2C)c1 CC(=O)[*:1] Cc1cc(ccc1S(=O)(=O)Nc1cccc(c1)[*:1])N1C(=O)C(C)(C)CS1(=O)=O
C/C(=N\NC(=O)c1cccc(Br)c1)C1CC1 C1CC1[*:1] CC(=NNC(=O)c1cccc(Br)c1)[*:1]
CCOC(=O)c1sc(N(C)C(=O)c2ccc(F)c(F)c2F)nc1C CCOC(=O)[*:1] Cc1nc(sc1[*:1])N(C)C(=O)c1ccc(F)c(F)c1F
CC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)N2CCCCC2)cc1 CC(C)(C)[*:1] O=C(NNC(=O)c1ccc(cc1)[*:1])C(=O)N1CCCCC1
COCCCOC1CN(C(=O)C2C[C@@H](C)O[C@H](C)C2)C1 COC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CC(C1)OCC[*:1]
COCCCOC1CN(C(=O)C2C[C@@H](C)O[C@H](C)C2)C1 COCC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CC(C1)OC[*:1]
COCCCOC1CN(C(=O)C2C[C@@H](C)O[C@H](C)C2)C1 COCCCO[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CC(C1)[*:1]
COCCCOC1CN(C(=O)C2C[C@@H](C)O[C@H](C)C2)C1 COCCC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CC(C1)O[*:1]
COC(=O)c1oc([C@@H](C)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1C COC(=O)[*:1] Cc1cc(oc1[*:1])[C@@H](C)N1CCC[C@@H](CC1)[NH+]1CCCC1
CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 CC[C@H](C)C[*:1] C[C@H](NC(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCN(C1)C(=O)O[*:1]
CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 CC[C@H](C)[*:1] C[C@@H](C[*:1])NC(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C
CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 CC[C@H](C)C[C@H](C)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)C(=O)N[*:1]
C#CCNCC(=O)N[C@@H](C)CCc1ccccc1 C#CC[*:1] C[C@@H](CCc1ccccc1)NC(=O)CN[*:1]
C#CCNCC(=O)N[C@@H](C)CCc1ccccc1 c1ccc(cc1)[*:1] C#CCNCC(=O)N[C@@H](C)CC[*:1]
C#CCNCC(=O)N[C@@H](C)CCc1ccccc1 C#CCN[*:1] C[C@@H](CCc1ccccc1)NC(=O)C[*:1]
C#CCNCC(=O)N[C@@H](C)CCc1ccccc1 C#CCNC[*:1] C[C@@H](CCc1ccccc1)NC(=O)[*:1]
CC[C@@H](C#N)OC(=O)[C@@H](C)NC(=O)C1CCC1 CC[C@@H](C#N)[*:1] C[C@@H](NC(=O)C1CCC1)C(=O)O[*:1]
CC[C@@H](C#N)OC(=O)[C@@H](C)NC(=O)C1CCC1 C1CC(C1)[*:1] CC[C@@H](C#N)OC(=O)[C@@H](C)NC(=O)[*:1]
COc1ccc(C(=O)CCC(=O)NCc2cc(C)oc2C)cc1F Cc1cc(c(C)o1)[*:1] COc1ccc(cc1F)C(=O)CCC(=O)NC[*:1]
COc1ccc(C(=O)CCC(=O)NCc2cc(C)oc2C)cc1F Cc1cc(C[*:1])c(C)o1 COc1ccc(cc1F)C(=O)CCC(=O)N[*:1]
COc1ccc([C@@H](C)NC(=O)CCC(=O)[O-])cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)CC[*:1]
COc1ccc([C@@H](C)NC(=O)CCC(=O)[O-])cc1OC O=C([O-])C[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)C[*:1]
COc1ccc([C@@H](C)NC(=O)CCC(=O)[O-])cc1OC O=C([O-])CC[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)[*:1]
CC(C)(C(=O)[C@@H]1CCOC1)N1CCOCC1 C1C[C@H](CO1)[*:1] CC(C)(C(=O)[*:1])N1CCOCC1
COCc1cccc(C[NH2+][C@H]2CSCCC2(C)C)c1 COC[*:1] CC1(C)CCSC[C@@H]1[NH2+]Cc1cccc(c1)[*:1]
CCC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)C[C@@H]1[NH3+] CCC[*:1] Cc1noc(C)c1S(=O)(=O)N1C[C@@H]([C@@H]([NH3+])C1)[*:1]
CNC(=O)NNC(=O)c1cc(-c2cccs2)nc2ccccc12 c1csc(c1)[*:1] CNC(=O)NNC(=O)c1cc(nc2ccccc12)[*:1]
O=C(Nc1ccc(CN2CCOCC2)cc1)[C@H]1Cc2ccccc2O1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@H]1Cc2ccccc2O1
O=C(Nc1ccc(CN2CCOCC2)cc1)[C@H]1Cc2ccccc2O1 C1CN(CCO1)C[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1Cc2ccccc2O1
C[C@@H](NC(=O)NCc1ncnn1C)[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCc1ncnn1C)[C@H](O)[*:1]
C[C@@H](NC(=O)NCc1ncnn1C)[C@H](O)c1ccc(Cl)cc1 Cn1ncnc1C[*:1] C[C@@H](NC(=O)N[*:1])[C@H](O)c1ccc(Cl)cc1
C[C@@H](NC(=O)NCc1ncnn1C)[C@H](O)c1ccc(Cl)cc1 Cn1ncnc1[*:1] C[C@@H](NC(=O)NC[*:1])[C@H](O)c1ccc(Cl)cc1
O=C([O-])/C(=C/c1ccc([N+](=O)[O-])cc1)Sc1nnc2c(n1)[nH]c1ccccc12 O=[N+]([O-])c1ccc(cc1)[*:1] O=C([O-])C(=C[*:1])Sc1nnc2c(n1)[nH]c1ccccc12
O=C([O-])/C(=C/c1ccc([N+](=O)[O-])cc1)Sc1nnc2c(n1)[nH]c1ccccc12 O=C([O-])[*:1] O=[N+]([O-])c1ccc(/C=C(\Sc2nnc3c(n2)[nH]c2ccccc23)[*:1])cc1
O=C([O-])/C(=C/c1ccc([N+](=O)[O-])cc1)Sc1nnc2c(n1)[nH]c1ccccc12 O=[N+]([O-])[*:1] O=C([O-])/C(=C/c1ccc(cc1)[*:1])Sc1nnc2c(n1)[nH]c1ccccc12
C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 CS(=O)(=O)NC[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 CS(=O)(=O)N[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)Nc1ccc(cc1)C[*:1]
CN(Cc1csc(-c2ccccc2)n1)C(=O)c1coc2c1C(=O)CCC2 c1ccc(cc1)[*:1] CN(Cc1csc(n1)[*:1])C(=O)c1coc2CCCC(=O)c12
CCCCNc1ncnc2[nH]ncc12 CCCC[*:1] c1nc(N[*:1])c2cn[nH]c2n1
CCCCNc1ncnc2[nH]ncc12 CCC[*:1] c1nc(NC[*:1])c2cn[nH]c2n1
CN(Cc1ncccc1C(F)(F)F)Cc1ncnn1C FC(F)(F)[*:1] CN(Cc1ncccc1[*:1])Cc1ncnn1C
CN(Cc1ncccc1C(F)(F)F)Cc1ncnn1C Cn1ncnc1[*:1] CN(Cc1ncccc1C(F)(F)F)C[*:1]
C=C(Cl)Cc1ccc(CC)cc1 C=C(Cl)[*:1] CCc1ccc(cc1)C[*:1]
C=C(Cl)Cc1ccc(CC)cc1 C=C(Cl)C[*:1] CCc1ccc(cc1)[*:1]
C[C@H]([NH3+])C(=O)N(Cc1ccccc1)CC(C)(C)C CC(C)(C)C[*:1] C[C@H]([NH3+])C(=O)N(Cc1ccccc1)[*:1]
C[C@H]([NH3+])C(=O)N(Cc1ccccc1)CC(C)(C)C c1ccc(cc1)[*:1] C[C@H]([NH3+])C(=O)N(CC(C)(C)C)C[*:1]
C[C@H]([NH3+])C(=O)N(Cc1ccccc1)CC(C)(C)C CC(C)(C)[*:1] C[C@H]([NH3+])C(=O)N(Cc1ccccc1)C[*:1]
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 Fc1ccc(cc1)[*:1] C[C@H]1CC[C@@H](CN1C(=O)CSc1nnc(n1-c1ccccc1)[*:1])C(N)=O
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 NC(=O)[*:1] C[C@H]1CC[C@H](CN1C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)[*:1]
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CC[C@@H](CN1C(=O)CSc1nnc(-c2ccc(F)cc2)n1[*:1])C(N)=O
CC(C)c1ccc(CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1 CC(C)[*:1] O=C1NC2(CCCC2)C(=O)N1CC(=O)N(Cc1ccc(cc1)[*:1])C1CC1
CC(C)c1ccc(CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)[*:1]
CC(C)c1ccc(CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C1NC2(CCCC2)C(=O)N1CC(=O)N(C[*:1])C1CC1
CC[C@H](NCc1ccccc1Br)c1nccs1 c1csc(n1)[*:1] CC[C@H](NCc1ccccc1Br)[*:1]
O=C(NCC[C@@H]1CCCO1)c1cc2c([nH]c1=O)CCC2 C1CO[C@@H](C1)[*:1] O=C(NCC[*:1])c1cc2CCCc2[nH]c1=O
O=C(NCC[C@@H]1CCCO1)c1cc2c([nH]c1=O)CCC2 C1CO[C@@H](C1)C[*:1] O=C(NC[*:1])c1cc2CCCc2[nH]c1=O
Cc1cnc(NCCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(NCCC[NH+]2CCN(CC2)c2ncccn2)c(c1)[*:1]
Cc1cnc(NCCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 c1cnc(nc1)[*:1] Cc1cnc(NCCC[NH+]2CCN(CC2)[*:1])c(c1)[N+](=O)[O-]
CC/[NH+]=C(/NCCc1ccc(-n2cccn2)cc1)N1CC[C@@H](O)C1 c1cnn(c1)[*:1] CC/[NH+]=C(/NCCc1ccc(cc1)[*:1])N1CC[C@@H](O)C1
O=C(NCC(=O)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1)c1ccccc1 O=C(NC[*:1])c1ccccc1 O=C(N1CCC(CC1)c1nc(no1)-c1ccc2OCOc2c1)[*:1]
O=C(NCC(=O)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1)c1ccccc1 c1cc2OCOc2cc1[*:1] O=C(NCC(=O)N1CCC(CC1)c1nc(no1)[*:1])c1ccccc1
O=C(NCC(=O)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N1CCC(CC1)c1nc(no1)-c1ccc2OCOc2c1
O=C(NCC(=O)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(C[*:1])N1CCC(CC1)c1nc(no1)-c1ccc2OCOc2c1
COc1ccc(SCC(=O)Nc2nnc(Cc3ccc(F)cc3)o2)cc1 COc1ccc(cc1)[*:1] O=C(CS[*:1])Nc1nnc(Cc2ccc(F)cc2)o1
COc1ccc(SCC(=O)Nc2nnc(Cc3ccc(F)cc3)o2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)SCC(=O)Nc1nnc(o1)[*:1]
COc1ccc(SCC(=O)Nc2nnc(Cc3ccc(F)cc3)o2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)SCC(=O)Nc1nnc(C[*:1])o1
CSCCN(C)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CSCC[*:1] CN(C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CSCCN(C)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CSC[*:1] CN(C[*:1])C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1C(=O)NC(C)C C1CC1[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@@H]1CCCN(C1)C(=O)C1CC1
Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1C(=O)NC(C)C CC(C)[*:1] Cc1cc(ccc1C(=O)N[*:1])NC(=O)[C@@H]1CCCN(C1)C(=O)C1CC1
CC(C)(C)c1ccccc1OCC[C@@H]1CCC[C@@]1(O)C[NH3+] CC(C)(C)[*:1] [NH3+]C[C@]1(O)CCC[C@H]1CCOc1ccccc1[*:1]
COC[C@@](C)(NC(=O)[C@H](C)Oc1cccc(F)c1)c1ccccc1 Fc1cccc(c1)O[*:1] COC[C@@](C)(NC(=O)[C@H](C)[*:1])c1ccccc1
COC[C@@](C)(NC(=O)[C@H](C)Oc1cccc(F)c1)c1ccccc1 COC[*:1] C[C@H](Oc1cccc(F)c1)C(=O)N[C@](C)(c1ccccc1)[*:1]
COC[C@@](C)(NC(=O)[C@H](C)Oc1cccc(F)c1)c1ccccc1 Fc1cccc(c1)[*:1] COC[C@@](C)(NC(=O)[C@H](C)O[*:1])c1ccccc1
COC[C@@](C)(NC(=O)[C@H](C)Oc1cccc(F)c1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@](C)(NC(=O)[C@H](C)Oc1cccc(F)c1)[*:1]
Cc1c(C(=O)NNC(=O)Cc2cccc(F)c2F)oc2ccccc12 Fc1cccc(c1F)[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)C[*:1]
CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1sc2ccccc2c1C NC(=O)[*:1] CCN(CCC(=O)Nc1ccc(cc1)[*:1])C(=O)c1sc2ccccc2c1C
CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1sc2ccccc2c1C NC(=O)c1ccc(cc1)[*:1] CCN(CCC(=O)N[*:1])C(=O)c1sc2ccccc2c1C
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)nn3)c12 Clc1ccc(nn1)[*:1] Cc1nn(c2nc(cc(C(=O)N[*:1])c12)C1CC1)C(C)(C)C
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)nn3)c12 CC(C)(C)[*:1] Cc1nn(c2nc(cc(C(=O)Nc3ccc(Cl)nn3)c12)C1CC1)[*:1]
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)nn3)c12 C1CC1[*:1] Cc1nn(c2nc(cc(C(=O)Nc3ccc(Cl)nn3)c12)[*:1])C(C)(C)C
CCS(=O)(=O)c1ccc2oc(SCC(=O)N3C[C@H](C)O[C@H](C)C3)nc2c1 CCS(=O)(=O)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CSc1nc2cc(ccc2o1)[*:1]
CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cncn2)CC1 CCOC(=O)[*:1] c1ccc(cc1)-n1cc(C[NH+]2CCC(CC2)n2cncn2)c(n1)[*:1]
CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cncn2)CC1 c1ncn(n1)[*:1] CCOC(=O)c1nn(cc1C[NH+]1CCC(CC1)[*:1])-c1ccccc1
CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cncn2)CC1 c1ccc(cc1)[*:1] CCOC(=O)c1nn(cc1C[NH+]1CCC(CC1)n1cncn1)[*:1]
CCC[NH2+][C@@H]([C@@H]1CCOC1)C(C)(C)[NH+]1CCCCC1 C1C[C@H](CO1)[*:1] CCC[NH2+][C@@H](C(C)(C)[NH+]1CCCCC1)[*:1]
CCC[NH2+][C@@H]([C@@H]1CCOC1)C(C)(C)[NH+]1CCCCC1 CCC[*:1] CC(C)([C@@H]([NH2+][*:1])[C@@H]1CCOC1)[NH+]1CCCCC1
Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NCc3ccccc3)c(=O)c12 c1ccc(cc1)[*:1] Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NC[*:1])c(=O)c12
Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NCc3ccccc3)c(=O)c12 c1ccc(cc1)C[*:1] Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)N[*:1])c(=O)c12
Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NCc3ccccc3)c(=O)c12 O=C(NCc1ccccc1)[*:1] Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(C[*:1])c(=O)c12
Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NCc3ccccc3)c(=O)c12 Clc1ccc(cc1)[*:1] Cc1c(C)n(c2ncn(CC(=O)NCc3ccccc3)c(=O)c12)[*:1]
CCCN1C(=O)[C@](O)(CC(=O)/C=C\c2ccccc2)c2ccccc21 CCC[*:1] O=C(/C=C\c1ccccc1)C[C@@]1(O)C(=O)N(c2ccccc21)[*:1]
CCCN1C(=O)[C@](O)(CC(=O)/C=C\c2ccccc2)c2ccccc21 C(=C[*:1])c1ccccc1 CCCN1C(=O)[C@](O)(CC(=O)[*:1])c2ccccc21
CCCN1C(=O)[C@](O)(CC(=O)/C=C\c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CCCN1C(=O)[C@](O)(CC(=O)C=C[*:1])c2ccccc21
CCOc1ccc(NC(=O)N(C)CC[C@H](C)O)cc1F C[C@H](O)[*:1] CCOc1ccc(cc1F)NC(=O)N(C)CC[*:1]
CCOc1ccc(NC(=O)N(C)CC[C@H](C)O)cc1F CCO[*:1] C[C@H](O)CCN(C)C(=O)Nc1ccc(c(F)c1)[*:1]
CCOc1ccc(NC(=O)N(C)CC[C@H](C)O)cc1F C[C@H](O)C[*:1] CCOc1ccc(cc1F)NC(=O)N(C)C[*:1]
CC(C)[C@@H](C)C(=O)N[C@@H](CO)c1cc(F)c(F)c(F)c1 CC(C)[C@@H](C)[*:1] O=C(N[C@@H](CO)c1cc(F)c(F)c(F)c1)[*:1]
CC(C)[C@@H](C)C(=O)N[C@@H](CO)c1cc(F)c(F)c(F)c1 CC(C)[*:1] C[C@@H](C(=O)N[C@@H](CO)c1cc(F)c(F)c(F)c1)[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)[C@H]1CCC[C@@H](C)C1 COC(=O)[C@H](C)[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(F)ccc1C(=O)N[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)[C@H]1CCC[C@@H](C)C1 COC(=O)[*:1] C[C@H](NC(=O)c1ccc(F)cc1NC(=O)[C@H]1CCC[C@@H](C)C1)[*:1]
[NH3+]CCCCCNC(=O)/C=N/O [NH3+]CCC[*:1] O=C(/C=N/O)NCC[*:1]
[NH3+]CCCCCNC(=O)/C=N/O [NH3+]CC[*:1] O=C(/C=N/O)NCCC[*:1]
C[C@H]1CN(C(=O)c2ccnc(C3CCCC3)n2)c2cc(F)ccc2C(=O)N1 C1CCC(C1)[*:1] C[C@H]1CN(C(=O)c2ccnc(n2)[*:1])c2cc(F)ccc2C(=O)N1
CCc1ccc(Oc2ncnc(N3CCC(C(=O)[O-])CC3)c2[N+](=O)[O-])cc1 CCc1ccc(cc1)[*:1] O=C([O-])C1CCN(CC1)c1ncnc(O[*:1])c1[N+](=O)[O-]
CCc1ccc(Oc2ncnc(N3CCC(C(=O)[O-])CC3)c2[N+](=O)[O-])cc1 O=C([O-])[*:1] CCc1ccc(cc1)Oc1ncnc(c1[N+](=O)[O-])N1CCC(CC1)[*:1]
CCc1ccc(Oc2ncnc(N3CCC(C(=O)[O-])CC3)c2[N+](=O)[O-])cc1 CCc1ccc(cc1)O[*:1] O=C([O-])C1CCN(CC1)c1ncnc(c1[N+](=O)[O-])[*:1]
CCc1ccc(Oc2ncnc(N3CCC(C(=O)[O-])CC3)c2[N+](=O)[O-])cc1 O=C([O-])C1CCN(CC1)[*:1] CCc1ccc(cc1)Oc1ncnc(c1[N+](=O)[O-])[*:1]
CCc1ccc(Oc2ncnc(N3CCC(C(=O)[O-])CC3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)Oc1ncnc(c1[*:1])N1CCC(CC1)C(=O)[O-]
C=CCNC(=O)c1ccc(NC(=O)NCCNC(C)=O)cc1 CC(=O)NC[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)NC[*:1]
C=CCNC(=O)c1ccc(NC(=O)NCCNC(C)=O)cc1 CC(=O)N[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)NCC[*:1]
C=CCNC(=O)c1ccc(NC(=O)NCCNC(C)=O)cc1 CC(=O)NCC[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)N[*:1]
C=CCNC(=O)c1ccc(NC(=O)NCCNC(C)=O)cc1 C=CC[*:1] CC(=O)NCCNC(=O)Nc1ccc(cc1)C(=O)N[*:1]
C=CCNC(=O)c1ccc(NC(=O)NCCNC(C)=O)cc1 C=CCNC(=O)[*:1] CC(=O)NCCNC(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(C(=O)N2CCCCC2)c1C O=C(N1CCCCC1)[*:1] COC(=O)c1c(NC(=O)c2ccc3OCOc3c2)sc(c1C)[*:1]
COC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(C(=O)N2CCCCC2)c1C c1cc2OCOc2cc1[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)N2CCCCC2)c1C
COC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(C(=O)N2CCCCC2)c1C COC(=O)[*:1] Cc1c(sc(NC(=O)c2ccc3OCOc3c2)c1[*:1])C(=O)N1CCCCC1
CC(C)[C@H]1CCCN(C(=O)[C@H]2C=C[C@@H]([NH3+])C2)CC1 CC(C)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N1CCC[C@@H](CC1)[*:1]
CC(C)[C@H]([NH3+])c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1 CC(C)[*:1] [NH3+][C@H](c1nnc(o1)S(=O)(=O)Cc1ccc(Cl)cc1Cl)[*:1]
C1C[NH2+]C[C@H](OCC2CC2)C1 C1CC1[*:1] C1C[NH2+]C[C@@H](C1)OC[*:1]
O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1cccc(Br)c1 O=C(N[*:1])c1cccc(Br)c1 O=C(Cn1c(CCC[*:1])nc2ccccc21)N1CCOCC1
O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(Cn1c(CCCNC(=O)[*:1])nc2ccccc21)N1CCOCC1
O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1cccc(Br)c1 O=C(N1CCOCC1)[*:1] O=C(NCCCc1nc2ccccc2n1C[*:1])c1cccc(Br)c1
O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1cccc(Br)c1 O=C(C[*:1])N1CCOCC1 O=C(NCCCc1nc2ccccc2n1[*:1])c1cccc(Br)c1
CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(OC(F)F)c1 FC(F)[*:1] CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(c1)O[*:1]
CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(OC(F)F)c1 c1ccc(cc1)C[*:1] CCN(C(=O)Nc1ccc(OC)c(c1)OC(F)F)[*:1]
CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(OC(F)F)c1 FC(F)O[*:1] CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(c1)[*:1]
CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(OC(F)F)c1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)Nc1ccc(OC)c(c1)OC(F)F
O=C1N/C(=C/c2ccco2)C(=O)N1c1ccc(Cl)cc1 c1coc(c1)[*:1] O=C1NC(=C[*:1])C(=O)N1c1ccc(Cl)cc1
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)cc1 c1ccc(C[*:1])nc1 O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)cc1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN(CC1)Cc1ccccn1
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)cc1 c1ccc(nc1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1]
O=C(c1ccccc1)N1CC[C@H]([NH2+][C@@H](c2cccs2)C2CC2)C1 C1CC1[*:1] O=C(c1ccccc1)N1CC[C@@H](C1)[NH2+][C@@H](c1cccs1)[*:1]
O=C(c1ccccc1)N1CC[C@H]([NH2+][C@@H](c2cccs2)C2CC2)C1 c1csc(c1)[*:1] O=C(c1ccccc1)N1CC[C@@H](C1)[NH2+][C@@H](C1CC1)[*:1]
O=C(c1ccccc1)N1CC[C@H]([NH2+][C@@H](c2cccs2)C2CC2)C1 c1ccc(cc1)[*:1] O=C(N1CC[C@@H](C1)[NH2+][C@@H](c1cccs1)C1CC1)[*:1]
CN1CCO[C@H](COc2ccccc2N2CC[NH2+]CC2)C1 CN1CCO[C@H](C1)[*:1] c1ccc(c(c1)OC[*:1])N1CC[NH2+]CC1
COC(=O)c1ccccc1NC(=S)N1CCN(c2cccc(C)c2)CC1 COC(=O)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=S)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NC(=S)N1CCN(c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] COC(=O)c1ccccc1NC(=S)N1CCN(CC1)[*:1]
CCO[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CCO[C@@H]1C[C@@H]1C(=O)N1CCC(CC1)[*:1]
CCO[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)N2CCCC2)CC1 CCO[*:1] O=C(C1CCN(CC1)C(=O)[C@H]1C[C@H]1[*:1])N1CCCC1
CC[C@@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)Cc1nc(no1)[*:1]
CNS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1 CNS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)COc1ccccc1
CNS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1 c1ccc(cc1)OC[*:1] CNS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1 c1ccc(cc1)O[*:1] CNS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)C[*:1]
CNS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)CO[*:1]
Cc1cc(Cl)c(N)cc1S(=O)(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)NCC[*:1]
Cc1cc(Cl)c(N)cc1S(=O)(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)NC[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(-n2cccn2)nc1 c1cnn(c1)[*:1] O=C(Cn1nnc(n1)-c1ccccc1)Nc1ccc(nc1)[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(-n2cccn2)nc1 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])Nc1ccc(nc1)-n1cccn1
CCC[C@@H](C[NH3+])[C@H](O)c1cc(F)ccc1F CCC[*:1] [NH3+]C[C@@H]([C@H](O)c1cc(F)ccc1F)[*:1]
C[NH+](C)CC(=O)NNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[NH+](C)CC(=O)NNC(=O)c1ccc(c(c1)[*:1])N1CCCC1
C[NH+](C)CC(=O)NNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] C[NH+](C)CC(=O)NNC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] COc1ccc(cc1)C[C@@H](C)C[NH2+][C@@H](C)[*:1]
CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCCC2)s1 C1CCCN(CC1)[*:1] CCCS(=O)(=O)c1nc(c(s1)[*:1])S(=O)(=O)c1ccc(Cl)cc1
CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCCC2)s1 CCC[*:1] O=S(=O)(c1ccc(Cl)cc1)c1nc(sc1N1CCCCCC1)S(=O)(=O)[*:1]
CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCCC2)s1 CCCS(=O)(=O)[*:1] O=S(=O)(c1ccc(Cl)cc1)c1nc(sc1N1CCCCCC1)[*:1]
CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCCC2)s1 Clc1ccc(cc1)[*:1] CCCS(=O)(=O)c1nc(c(s1)N1CCCCCC1)S(=O)(=O)[*:1]
CO[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] CO[C@H]1CCCN(C1)C(=O)c1ccc(c(c1)[*:1])-n1ccnc1
CO[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 c1cn(cn1)[*:1] CO[C@H]1CCCN(C1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CN(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CC(=O)N1Cc1ccccc1 CS(=O)(=O)N[*:1] C[C@@H]1[C@H](CC(=O)N1Cc1ccccc1)[NH2+]CC[*:1]
C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1[C@H](CC(=O)N1[*:1])[NH2+]CCNS(C)(=O)=O
C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CC(=O)N1Cc1ccccc1 CS(=O)(=O)NCC[*:1] C[C@@H]1[C@H](CC(=O)N1Cc1ccccc1)[NH2+][*:1]
C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CC(=O)N1Cc1ccccc1 CS(=O)(=O)NC[*:1] C[C@@H]1[C@H](CC(=O)N1Cc1ccccc1)[NH2+]C[*:1]
C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1[C@H](CC(=O)N1C[*:1])[NH2+]CCNS(C)(=O)=O
Cc1nn(C)cc1CCC(=O)Nc1ccc(C(N)=O)cc1F Cc1nn(C)cc1[*:1] NC(=O)c1ccc(NC(=O)CC[*:1])c(F)c1
Cc1nn(C)cc1CCC(=O)Nc1ccc(C(N)=O)cc1F NC(=O)[*:1] Cc1nn(C)cc1CCC(=O)Nc1ccc(cc1F)[*:1]
Cc1[nH]ncc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 Cc1[nH]ncc1[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])NCc1ccccc1
Cc1[nH]ncc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1[nH]ncc1C(=O)N1CCN(CC1)CC(=O)NC[*:1]
Cc1[nH]ncc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1[nH]ncc1C(=O)N1CCN(CC1)CC(=O)N[*:1]
COc1ccc(NC(=O)CC2=c3ccccc3=[NH+]C2)cc1NS(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1NS(=O)(=O)[*:1])NC(=O)CC1C[NH+]=c2ccccc2=1
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2Cl)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NN=C[*:1])c1cccc(c1)NC(=O)c1ccccc1Cl
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2Cl)c1 O=C(N[*:1])c1ccccc1Cl O=C(N/N=C/c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[*:1]
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2Cl)c1 Clc1ccccc1[*:1] O=C(N/N=C/c1cccc(c1)[N+](=O)[O-])c1cccc(c1)NC(=O)[*:1]
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2Cl)c1 O=[N+]([O-])[*:1] O=C(N/N=C/c1cccc(c1)[*:1])c1cccc(c1)NC(=O)c1ccccc1Cl
O=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc2c(c1)ncn2[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CCN(CC1)[*:1]
CN(C)c1ccc(NC(=O)CCOc2ccc(F)cc2)cn1 CN(C)[*:1] O=C(CCOc1ccc(F)cc1)Nc1ccc(nc1)[*:1]
CN(C)c1ccc(NC(=O)CCOc2ccc(F)cc2)cn1 Fc1ccc(cc1)[*:1] CN(C)c1ccc(cn1)NC(=O)CCO[*:1]
COC[C@H](NC(=O)[C@H](C)O[C@@H]1CCC[C@@H](C)C1)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)[C@H](C)O[C@@H]1CCC[C@@H](C)C1)[*:1]
COC[C@H](NC(=O)[C@H](C)O[C@@H]1CCC[C@@H](C)C1)C(N)=O COC[*:1] C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H](C(N)=O)[*:1]
CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](C)Cn1nc(C)cc1C Cc1cc(C)n(n1)[*:1] CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](C)C[*:1]
CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](C)Cn1nc(C)cc1C Cc1cc(C)n(C[*:1])n1 CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](C)[*:1]
Cc1nc2ccccc2n1CCNC(=O)Nc1ccccc1OCC1CC1 C1CC1CO[*:1] Cc1nc2ccccc2n1CCNC(=O)Nc1ccccc1[*:1]
Cc1nc2ccccc2n1CCNC(=O)Nc1ccccc1OCC1CC1 C1CC1[*:1] Cc1nc2ccccc2n1CCNC(=O)Nc1ccccc1OC[*:1]
Cc1nc2ccccc2n1CCNC(=O)Nc1ccccc1OCC1CC1 C1CC1C[*:1] Cc1nc2ccccc2n1CCNC(=O)Nc1ccccc1O[*:1]
Cc1cccc(C)c1OCC(=O)Nc1ccn(CCC(N)=O)n1 NC(=O)C[*:1] Cc1cccc(C)c1OCC(=O)Nc1ccn(C[*:1])n1
Cc1cccc(C)c1OCC(=O)Nc1ccn(CCC(N)=O)n1 NC(=O)CC[*:1] Cc1cccc(C)c1OCC(=O)Nc1ccn(n1)[*:1]
Cc1cccc(C)c1OCC(=O)Nc1ccn(CCC(N)=O)n1 NC(=O)[*:1] Cc1cccc(C)c1OCC(=O)Nc1ccn(CC[*:1])n1
CC(C)[C@@]1(C)CC(=O)N(Cc2ccc(F)c(F)c2)C1=O CC(C)[*:1] C[C@]1(CC(=O)N(Cc2ccc(F)c(F)c2)C1=O)[*:1]
C[C@@H](c1cccnc1)[NH+]1CCN([C@@H]2CCN(C)C2=O)CC1 CN1CC[C@H](C1=O)[*:1] C[C@@H](c1cccnc1)[NH+]1CCN(CC1)[*:1]
C[C@@H](c1cccnc1)[NH+]1CCN([C@@H]2CCN(C)C2=O)CC1 c1cncc(c1)[*:1] C[C@@H]([NH+]1CCN(CC1)[C@@H]1CCN(C)C1=O)[*:1]
CCNC(=O)NC(=O)[C@@H](C)N(c1nccs1)S(=O)(=O)c1ccccc1 CCNC(=O)NC(=O)[*:1] C[C@@H](N(c1nccs1)S(=O)(=O)c1ccccc1)[*:1]
CCNC(=O)NC(=O)[C@@H](C)N(c1nccs1)S(=O)(=O)c1ccccc1 c1csc(n1)[*:1] CCNC(=O)NC(=O)[C@@H](C)N(S(=O)(=O)c1ccccc1)[*:1]
CCNC(=O)NC(=O)[C@@H](C)N(c1nccs1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)[C@@H](C)N(c1nccs1)S(=O)(=O)[*:1]
O=S(=O)([N-]c1ncc(-c2ccccc2)s1)c1c[nH]c2ncccc12 c1ccc(cc1)[*:1] O=S(=O)([N-]c1ncc(s1)[*:1])c1c[nH]c2ncccc12
COC(=O)C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)[*:1]
COC(=O)C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1Cl COC(=O)[*:1] O=C(Cn1cnc2ccccc2c1=O)N[C@H](C[*:1])c1ccccc1Cl
COC(=O)C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1Cl COC(=O)C[*:1] O=C(Cn1cnc2ccccc2c1=O)N[C@@H](c1ccccc1Cl)[*:1]
Cc1noc(CCCC(=O)N2CCNC(=O)C2)n1 Cc1noc(n1)[*:1] O=C1CN(CCN1)C(=O)CCC[*:1]
COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 COc1cccc(c1)[*:1] O=C(COc1ccc(cc1)C(=O)Nc1ccc(F)cc1)N[*:1]
COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)COc1ccc(cc1)C(=O)N[*:1]
Cc1oc(C(=O)NC[C@H](C)c2ccsc2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)NC[C@H](C)c1ccsc1
Cc1oc(C(=O)NC[C@H](C)c2ccsc2)cc1S(N)(=O)=O c1cc(cs1)[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)NC[C@H](C)[*:1]
Cc1oc(C(=O)NC[C@H](C)c2ccsc2)cc1S(N)(=O)=O C[C@H](c1ccsc1)[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)NC[*:1]
CC[C@@H]1CCC[C@@](C#N)([C@H](O)C=O)C1 O=C[C@@H](O)[*:1] CC[C@@H]1CCC[C@@](C#N)(C1)[*:1]
COc1ccc(CNC(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)cc1Br Fc1ccc(cc1)[*:1] COc1ccc(cc1Br)CNC(=O)[C@H](C[*:1])n1nnnc1C
COc1ccc(CNC(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)cc1Br Fc1ccc(cc1)C[*:1] COc1ccc(cc1Br)CNC(=O)[C@H](n1nnnc1C)[*:1]
COc1ccc(CNC(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)cc1Br Cc1nnnn1[*:1] COc1ccc(cc1Br)CNC(=O)[C@H](Cc1ccc(F)cc1)[*:1]
COc1ccc(CNC(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)cc1Br COc1ccc(cc1Br)[*:1] Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[*:1]
C[C@]1(c2nnnn2CCC(=O)[O-])CCCO1 O=C([O-])[*:1] C[C@@]1(CCCO1)c1nnnn1CC[*:1]
C[C@]1(c2nnnn2CCC(=O)[O-])CCCO1 O=C([O-])C[*:1] C[C@@]1(CCCO1)c1nnnn1C[*:1]
C[C@]1(c2nnnn2CCC(=O)[O-])CCCO1 O=C([O-])CC[*:1] C[C@@]1(CCCO1)c1nnnn1[*:1]
CC[NH+]1CCN([C@@H]2CCN(Cc3sc(N(C)C)nc3-c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)[C@@H]1CCN(Cc2sc(nc2[*:1])N(C)C)C1
CC[NH+]1CCN([C@@H]2CCN(Cc3sc(N(C)C)nc3-c3ccccc3)C2)CC1 CN(C)[*:1] CC[NH+]1CCN(CC1)[C@@H]1CCN(Cc2sc(nc2-c2ccccc2)[*:1])C1
CC(C)c1ccc(C(=O)Cn2cc(-c3ccc(Cl)c(Cl)c3)[n+]3c2CCC3)cc1 CC(C)c1ccc(cc1)[*:1] O=C(Cn1cc(-c2ccc(Cl)c(Cl)c2)[n+]2CCCc12)[*:1]
CC(C)c1ccc(C(=O)Cn2cc(-c3ccc(Cl)c(Cl)c3)[n+]3c2CCC3)cc1 Clc1ccc(cc1Cl)[*:1] CC(C)c1ccc(cc1)C(=O)Cn1cc([n+]2CCCc12)[*:1]
CC(C)c1ccc(C(=O)Cn2cc(-c3ccc(Cl)c(Cl)c3)[n+]3c2CCC3)cc1 CC(C)[*:1] O=C(Cn1cc(-c2ccc(Cl)c(Cl)c2)[n+]2CCCc12)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(F)c(NC(=O)CCOc2ccc(F)cc2)c1 CS(=O)(=O)[*:1] O=C(CCOc1ccc(F)cc1)Nc1cc(ccc1F)[*:1]
CS(=O)(=O)c1ccc(F)c(NC(=O)CCOc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(F)c(c1)NC(=O)CCO[*:1]
CS(=O)(=O)c1ccc(F)c(NC(=O)CCOc2ccc(F)cc2)c1 Fc1ccc(cc1)O[*:1] CS(=O)(=O)c1ccc(F)c(c1)NC(=O)CC[*:1]
CCOc1ccc(NC(=O)COc2ccc(F)cc2)c(C(N)=O)c1 NC(=O)[*:1] CCOc1ccc(NC(=O)COc2ccc(F)cc2)c(c1)[*:1]
CCOc1ccc(NC(=O)COc2ccc(F)cc2)c(C(N)=O)c1 Fc1ccc(cc1)O[*:1] CCOc1ccc(NC(=O)C[*:1])c(c1)C(N)=O
CCOc1ccc(NC(=O)COc2ccc(F)cc2)c(C(N)=O)c1 Fc1ccc(cc1)[*:1] CCOc1ccc(NC(=O)CO[*:1])c(c1)C(N)=O
CCOc1ccc(NC(=O)COc2ccc(F)cc2)c(C(N)=O)c1 CCO[*:1] NC(=O)c1cc(ccc1NC(=O)COc1ccc(F)cc1)[*:1]
Brc1cn2c(CNCc3ccccn3)cnc2cn1 c1ccc(nc1)[*:1] Brc1cn2c(cnc2cn1)CNC[*:1]
CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 CC(=O)N1CCN(CC1)[*:1] CCn1c(C[*:1])nc2cc(ccc21)NC(=O)c1ccc(cc1)OC
CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 COc1ccc(cc1)[*:1] CCn1c(CN2CCN(CC2)C(C)=O)nc2cc(ccc21)NC(=O)[*:1]
CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 CC(=O)N1CCN(CC1)C[*:1] CCn1c(nc2cc(ccc21)NC(=O)c1ccc(cc1)OC)[*:1]
COC(=O)c1ccnc(N2CCCN(C(=O)C[C@H]3C=CCC3)CC2)c1 COC(=O)[*:1] O=C(C[C@H]1C=CCC1)N1CCCN(CC1)c1cc(ccn1)[*:1]
O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2cnn(-c3ccccc3)c2)nc1 c1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCOCC1)c1ccc(nc1)-c1cnn(c1)[*:1]
C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2[*:1]
C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)[*:1]
Cc1cc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)ccc1F Fc1cccc(F)c1[*:1] Cc1cc(ccc1F)C(=O)N[C@@H]1CCN(C1=O)[*:1]
Cc1cc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)ccc1F Cc1cc(ccc1F)[*:1] O=C1[C@@H](CCN1c1c(F)cccc1F)NC(=O)[*:1]
CCO[C@@H](C)c1noc(CNC(=O)N[C@@H](C)c2ccc(C)c(F)c2)n1 CCO[C@@H](C)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)NCc1nc(no1)[*:1]
CCO[C@@H](C)c1noc(CNC(=O)N[C@@H](C)c2ccc(C)c(F)c2)n1 CCO[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)NCc1nc(no1)[C@H](C)[*:1]
CCO[C@@H](C)c1noc(CNC(=O)N[C@@H](C)c2ccc(C)c(F)c2)n1 Cc1ccc(cc1F)[*:1] CCO[C@@H](C)c1noc(CNC(=O)N[C@@H](C)[*:1])n1
Cc1ccc(C(=O)NNC(=O)c2ccc(F)cc2Br)o1 Cc1ccc(o1)[*:1] O=C(NNC(=O)[*:1])c1ccc(F)cc1Br
CCCN(C(=O)c1ccc(C)[nH]c1=O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C CCC[*:1] Cc1ccc(C(=O)N([C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[*:1])c(=O)[nH]1
C[C@H](C(=O)[O-])[C@@H](C)[NH2+]CC1(O)CCCC1 C[C@H](C(=O)[O-])[*:1] C[C@@H]([NH2+]CC1(O)CCCC1)[*:1]
C[C@H](C(=O)[O-])[C@@H](C)[NH2+]CC1(O)CCCC1 O=C([O-])[*:1] C[C@H]([C@@H](C)[NH2+]CC1(O)CCCC1)[*:1]
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(N4CCCC4=O)cc3)cs2)c1 CN(C)S(=O)(=O)[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)N1CCCC1=O)c1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(N4CCCC4=O)cc3)cs2)c1 O=C1CCCN1[*:1] CN(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CCCC1CN(c2cc(Cl)ccc2N)C1 CCC[*:1] Nc1ccc(Cl)cc1N1CC(C1)[*:1]
CSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(Cl)cc1)CC(=O)N2 Clc1ccc(cc1)[*:1] CSc1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
CCOc1ncccc1C[NH2+][C@@H](C)c1cnn(-c2ccccn2)c1C CCO[*:1] Cc1c(cnn1-c1ccccn1)[C@H](C)[NH2+]Cc1cccnc1[*:1]
CCOc1ncccc1C[NH2+][C@@H](C)c1cnn(-c2ccccn2)c1C c1ccc(nc1)[*:1] CCOc1ncccc1C[NH2+][C@@H](C)c1cnn(c1C)[*:1]
O=c1[nH]c2ccccc2cc1CNC[C@@H](O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=c1[nH]c2ccccc2cc1CNC[C@@H](O)[*:1]
CC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 CC(=O)[*:1] O=[N+]([O-])c1ccc(C=C[*:1])cc1
CC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)/C=C/c1ccc(cc1)[*:1]
CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 CCc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)[*:1]
CCOC[C@@H]1CCN(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 CC(C)(C)[*:1] CCOC[C@@H]1CCN(C1)C(=O)N[C@H](C[*:1])c1ccc(F)cc1
CCOC[C@@H]1CCN(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 CCOC[*:1] CC(C)(C)C[C@@H](NC(=O)N1CC[C@H](C1)[*:1])c1ccc(F)cc1
CCOC[C@@H]1CCN(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)N[C@H](CC(C)(C)C)[*:1]
CCOC[C@@H]1CCN(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 CC(C)(C)C[*:1] CCOC[C@@H]1CCN(C1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CCOC[C@@H]1CCN(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 CCO[*:1] CC(C)(C)C[C@@H](NC(=O)N1CC[C@H](C1)C[*:1])c1ccc(F)cc1
Cc1cc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)ccc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CC[C@@H](C)C[C@@H]1C
Cc1cc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)ccc1C(=O)NC(C)C CC(C)[*:1] Cc1cc(ccc1C(=O)N[*:1])NC(=O)N1CC[C@@H](C)C[C@@H]1C
O=C(COc1ccccc1O)NCCC1CCN(c2cc[nH+]cc2)CC1 Oc1ccccc1[*:1] O=C(CO[*:1])NCCC1CCN(CC1)c1cc[nH+]cc1
O=C(COc1ccccc1O)NCCC1CCN(c2cc[nH+]cc2)CC1 Oc1ccccc1O[*:1] O=C(C[*:1])NCCC1CCN(CC1)c1cc[nH+]cc1
Cc1cc(C)c(OCC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 c1coc(c1)C[*:1] Cc1cc(C)c(OCC(=O)N([C@@H]2CCS(=O)(=O)C2)[*:1])c(C)c1
Cc1cc(C)c(OCC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 c1coc(c1)[*:1] Cc1cc(C)c(OCC(=O)N(C[*:1])[C@@H]2CCS(=O)(=O)C2)c(C)c1
Cc1cc(C)c(OCC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CO[*:1])N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1
CCOc1ccccc1NC(=O)[C@H](C)Nc1cc(C)c(NC(C)=O)c(C)c1 CCOc1ccccc1[*:1] CC(=O)Nc1c(C)cc(cc1C)N[C@@H](C)C(=O)N[*:1]
CCOc1ccccc1NC(=O)[C@H](C)Nc1cc(C)c(NC(C)=O)c(C)c1 CC(=O)N[*:1] CCOc1ccccc1NC(=O)[C@H](C)Nc1cc(C)c(c(C)c1)[*:1]
CCOc1ccccc1NC(=O)[C@H](C)Nc1cc(C)c(NC(C)=O)c(C)c1 CCO[*:1] CC(=O)Nc1c(C)cc(cc1C)N[C@@H](C)C(=O)Nc1ccccc1[*:1]
CCn1c(C[C@@H](O)Cc2cccnc2)nc2ccccc21 c1cncc(c1)C[*:1] CCn1c(C[C@@H](O)[*:1])nc2ccccc21
CCn1c(C[C@@H](O)Cc2cccnc2)nc2ccccc21 c1cncc(c1)[*:1] CCn1c(C[C@@H](O)C[*:1])nc2ccccc21
Cc1ccc(C[C@H](NC(=O)NCc2cccnc2)c2ccccn2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)C[C@H](NC(=O)NC[*:1])c1ccccn1
Cc1ccc(C[C@H](NC(=O)NCc2cccnc2)c2ccccn2)cc1 Cc1ccc(cc1)C[*:1] O=C(NCc1cccnc1)N[C@H](c1ccccn1)[*:1]
Cc1ccc(C[C@H](NC(=O)NCc2cccnc2)c2ccccn2)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)C[C@H](NC(=O)N[*:1])c1ccccn1
Cc1ccc(C[C@H](NC(=O)NCc2cccnc2)c2ccccn2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1cccnc1)N[C@@H](C[*:1])c1ccccn1
Cc1ccc(C[C@H](NC(=O)NCc2cccnc2)c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)C[C@H](NC(=O)NCc1cccnc1)[*:1]
CC(C)N1C[C@@H](C(=O)Nc2cccnc2Cl)CC1=O CC(C)[*:1] O=C(Nc1cccnc1Cl)[C@H]1CC(=O)N(C1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1C1CC1 C1CC1[*:1] CC[C@H](C)NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1[*:1]
CC[C@H](C)NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1C1CC1 c1cc(ccn1)[*:1] CC[C@H](C)NC(=O)[C@H](C)Sc1nnc(n1C1CC1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1C1CC1 CC[C@H](C)[*:1] C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1C1CC1 CC[C@H](C)NC(=O)[*:1] C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc3c(O)cccc23)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Nc1cccc2c(O)cccc12)[*:1]
COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 COc1ccccc1[*:1] c1csc(c1)C1C[C@H]2c3ccccc3O[C@@H](N2N=1)[*:1]
COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 c1csc(c1)[*:1] COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(=NN21)[*:1]
O=[N+]([O-])c1ccc(OCCCSc2nncs2)cc1 c1nnc(S[*:1])s1 O=[N+]([O-])c1ccc(cc1)OCCC[*:1]
O=[N+]([O-])c1ccc(OCCCSc2nncs2)cc1 O=[N+]([O-])[*:1] c1nnc(SCCCOc2ccc(cc2)[*:1])s1
O=[N+]([O-])c1ccc(OCCCSc2nncs2)cc1 c1nnc(s1)[*:1] O=[N+]([O-])c1ccc(cc1)OCCCS[*:1]
Cc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCC4)c(=O)c23)cc1C C1CCC(C1)[*:1] Cc1ccc(cc1C)NC(=O)c1c(C)oc2ncn(c(=O)c12)[*:1]
Cc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCC4)c(=O)c23)cc1C Cc1ccc(cc1C)[*:1] Cc1oc2ncn(c(=O)c2c1C(=O)N[*:1])C1CCCC1
CCOC[C@@H]1CCN(C(=O)N[C@H](C)COc2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)N[C@H](C)CO[*:1]
CCOC[C@@H]1CCN(C(=O)N[C@H](C)COc2ccc(F)cc2F)C1 CCOC[*:1] C[C@H](COc1ccc(F)cc1F)NC(=O)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)N[C@H](C)COc2ccc(F)cc2F)C1 CCO[*:1] C[C@H](COc1ccc(F)cc1F)NC(=O)N1CC[C@H](C1)C[*:1]
COc1ccccc1S(=O)(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1Cl)[*:1] COc1ccccc1S(=O)(=O)N1CCO[C@H](C1)[*:1]
COc1ccccc1S(=O)(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 COc1ccccc1[*:1] O=S(=O)(N1CCO[C@@H](C1)c1ccc(F)c(Cl)c1)[*:1]
NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2CCc2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)c1ccccc1CC[*:1]
NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2CCc2ccccc2)CC1 NC(=O)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1ccccc1CCc1ccccc1
NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)c1ccccc1C[*:1]
NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)c1ccccc1[*:1]
Cc1ccc(CN(C)[C@@H](C)Cc2nc3ccccc3s2)o1 Cc1ccc(C[*:1])o1 C[C@@H](Cc1nc2ccccc2s1)N(C)[*:1]
Cc1ccc(CN(C)[C@@H](C)Cc2nc3ccccc3s2)o1 Cc1ccc(o1)[*:1] C[C@@H](Cc1nc2ccccc2s1)N(C)C[*:1]
COc1ccc(-c2nnc(SCC(C)=O)n2C2CCCCC2)cc1 CC(=O)C[*:1] COc1ccc(cc1)-c1nnc(S[*:1])n1C1CCCCC1
COc1ccc(-c2nnc(SCC(C)=O)n2C2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)-c1nnc(SCC(C)=O)n1[*:1]
COc1ccc(-c2nnc(SCC(C)=O)n2C2CCCCC2)cc1 CC(=O)[*:1] COc1ccc(cc1)-c1nnc(SC[*:1])n1C1CCCCC1
COc1ccc(-c2nnc(SCC(C)=O)n2C2CCCCC2)cc1 CC(=O)CS[*:1] COc1ccc(cc1)-c1nnc(n1C1CCCCC1)[*:1]
COc1ccc(-c2nnc(SCC(C)=O)n2C2CCCCC2)cc1 COc1ccc(cc1)[*:1] CC(=O)CSc1nnc(n1C1CCCCC1)[*:1]
Cc1ccc(CC(=O)N2CCC([NH+](C)CCCO)CC2)cc1O OCC[*:1] Cc1ccc(cc1O)CC(=O)N1CCC(CC1)[NH+](C)C[*:1]
Cc1ccc(CC(=O)N2CCC([NH+](C)CCCO)CC2)cc1O OCCC[*:1] Cc1ccc(cc1O)CC(=O)N1CCC(CC1)[NH+](C)[*:1]
C[NH+]1CCN(C(=O)CCCn2ccnn2)C(C)(C)C1 c1cn(C[*:1])nn1 C[NH+]1CCN(C(=O)CC[*:1])C(C)(C)C1
C[NH+]1CCN(C(=O)CCCn2ccnn2)C(C)(C)C1 c1cn(nn1)[*:1] C[NH+]1CCN(C(=O)CCC[*:1])C(C)(C)C1
C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O O=C(NCC(F)(F)F)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc2OCCCOc2c1
C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O O=C(C[*:1])NCC(F)(F)F C[C@@]1(NC(=O)N(C1=O)[*:1])c1ccc2OCCCOc2c1
C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O FC(F)(F)C[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2OCCCOc2c1
C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O FC(F)(F)[*:1] C[C@@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1ccc2OCCCOc2c1
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Cn2cc[nH+]c2C(C)C)CC1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)N1CCC(CC1)Cn1cc[nH+]c1C(C)C)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Cn2cc[nH+]c2C(C)C)CC1 CC(C)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CC1)Cn1cc[nH+]c1[*:1]
CNS(=O)(=O)c1cccc(NC(=O)N[C@@H](C)c2cn(C)nc2C)c1C CNS(=O)(=O)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)Nc1cccc(c1C)[*:1]
CNS(=O)(=O)c1cccc(NC(=O)N[C@@H](C)c2cn(C)nc2C)c1C Cc1nn(C)cc1[*:1] CNS(=O)(=O)c1cccc(NC(=O)N[C@@H](C)[*:1])c1C
CN(C)c1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c[nH+]1 CN(C)[*:1] O=C(Nc1ccc([nH+]c1)[*:1])Nc1ccc2OCOc2c1
CCn1nc(C(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)ccc1=O C1CCC(C1)O[*:1] CCn1nc(ccc1=O)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
CCn1nc(C(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)ccc1=O C1CCC(C1)[*:1] CCn1nc(ccc1=O)C(=O)N[C@@H]1CCCC[C@H]1O[*:1]
COc1ccc(Cl)c(NNC(=O)[C@H]2C[C@@H]2c2ccccc2C)c1 Cc1ccccc1[*:1] COc1ccc(Cl)c(c1)NNC(=O)[C@H]1C[C@H]1[*:1]
COc1ncnc(N(C)C)c1NC(=O)c1coc(Br)c1 Brc1cc(co1)[*:1] COc1ncnc(c1NC(=O)[*:1])N(C)C
COc1ncnc(N(C)C)c1NC(=O)c1coc(Br)c1 CN(C)[*:1] COc1ncnc(c1NC(=O)c1coc(Br)c1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(C)=O)c1 CC(=O)N[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)[*:1])N(C)C
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(C)=O)c1 CN(C)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(C)=O)[*:1]
C[S@@](=O)c1ccc(NC(=O)N2CCOC[C@H]2C2CC2)cc1 C1CC1[*:1] C[S@@](=O)c1ccc(cc1)NC(=O)N1CCOC[C@@H]1[*:1]
C[S@@](=O)c1ccc(NC(=O)N2CCOC[C@H]2C2CC2)cc1 C[S@@](=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCOC[C@H]1C1CC1
O=C(CCCN1CCOCC1)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2[O-] C1CN(CCO1)C[*:1] O=C(CC[*:1])N1CCC2(CC1)[C@H](C[C@H]2[O-])OCCO
O=C(CCCN1CCOCC1)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2[O-] C1CN(CCO1)[*:1] O=C(CCC[*:1])N1CCC2(CC1)[C@H](C[C@H]2[O-])OCCO
O=C(CCCN1CCOCC1)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2[O-] OCC[*:1] O=C(CCCN1CCOCC1)N1CCC2(CC1)[C@H](C[C@H]2[O-])O[*:1]
O=C(CCCN1CCOCC1)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2[O-] C1CN(CCO1)CC[*:1] O=C(C[*:1])N1CCC2(CC1)[C@H](C[C@H]2[O-])OCCO
O=C(CCCN1CCOCC1)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2[O-] OCCO[*:1] O=C(CCCN1CCOCC1)N1CCC2(CC1)[C@@H](C[C@H]2[O-])[*:1]
O=C1C(=O)N(CCn2cccn2)C(=O)N1CCC1=CCCCC1 c1cnn(c1)[*:1] O=C1C(=O)N(CC[*:1])C(=O)N1CCC1=CCCCC1
O=C1C(=O)N(CCn2cccn2)C(=O)N1CCC1=CCCCC1 c1cnn(c1)CC[*:1] O=C1C(=O)N(C(=O)N1CCC1=CCCCC1)[*:1]
O=C1C(=O)N(CCn2cccn2)C(=O)N1CCC1=CCCCC1 c1cnn(c1)C[*:1] O=C1C(=O)N(C[*:1])C(=O)N1CCC1=CCCCC1
COc1cc(CNC(=O)/C=C(/C)C(C)(C)C)cc(OC)c1OC CC(C)(C)[*:1] COc1cc(cc(OC)c1OC)CNC(=O)C=C(C)[*:1]
COc1cc(CNC(=O)/C=C(/C)C(C)(C)C)cc(OC)c1OC CC(=C[*:1])C(C)(C)C COc1cc(cc(OC)c1OC)CNC(=O)[*:1]
CC(C)c1nccc(N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 FC(F)(F)[*:1] CC(C)c1nccc(n1)N1CC[C@H](C1)Oc1ccc(cn1)[*:1]
CC(C)c1nccc(N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 CC(C)[*:1] FC(F)(F)c1ccc(nc1)O[C@@H]1CCN(C1)c1ccnc(n1)[*:1]
O=C(NC[C@H](CCO)c1ccccc1)c1ccc(Cl)cn1 OCC[*:1] O=C(NC[C@H](c1ccccc1)[*:1])c1ccc(Cl)cn1
O=C(NC[C@H](CCO)c1ccccc1)c1ccc(Cl)cn1 c1ccc(cc1)[*:1] O=C(NC[C@H](CCO)[*:1])c1ccc(Cl)cn1
O=C(NC[C@H](CCO)c1ccccc1)c1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] O=C(NC[C@H](CCO)c1ccccc1)[*:1]
Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cccn2)cc1F c1cnn(c1)[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+]C[C@H](O)C[*:1]
Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cccn2)cc1F c1cnn(c1)C[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+]C[C@H](O)[*:1]
CCC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)nn1)c1ccccc1 Clc1ccc(nn1)[*:1] CCC[C@@H](NC(=O)[C@H](C)S[*:1])c1ccccc1
CCC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)nn1)c1ccccc1 CCC[*:1] C[C@H](Sc1ccc(Cl)nn1)C(=O)N[C@@H](c1ccccc1)[*:1]
CCC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)nn1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)nn1)[*:1]
CC(C)Cn1ncc(C(=O)N(C)C2CCCCC2)c1C1CC1 C1CC1[*:1] CC(C)Cn1ncc(C(=O)N(C)C2CCCCC2)c1[*:1]
CC(C)Cn1ncc(C(=O)N(C)C2CCCCC2)c1C1CC1 CC(C)C[*:1] CN(C(=O)c1cnn(c1C1CC1)[*:1])C1CCCCC1
CC(C)Cn1ncc(C(=O)N(C)C2CCCCC2)c1C1CC1 CC(C)[*:1] CN(C(=O)c1cnn(C[*:1])c1C1CC1)C1CCCCC1
CC(C)Cn1ncc(C(=O)N(C)C2CCCCC2)c1C1CC1 C1CCC(CC1)[*:1] CC(C)Cn1ncc(C(=O)N(C)[*:1])c1C1CC1
COc1c(C)cc(CN(C)C(=O)C[C@H](O)c2ccccc2)cc1C O[C@H](c1ccccc1)[*:1] COc1c(C)cc(cc1C)CN(C)C(=O)C[*:1]
COc1c(C)cc(CN(C)C(=O)C[C@H](O)c2ccccc2)cc1C c1ccc(cc1)[*:1] COc1c(C)cc(cc1C)CN(C)C(=O)C[C@H](O)[*:1]
COc1ccc(F)cc1NC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 C1CCC(C1)[*:1] COc1ccc(F)cc1NC(=O)N[C@@H]1CCN(C1)C(=O)[*:1]
CN(/N=C/c1ccccc1Cl)c1ncc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] CN(/N=C/c1ccccc1Cl)c1ncc(Cl)cc1[*:1]
CN(/N=C/c1ccccc1Cl)c1ncc(Cl)cc1C(F)(F)F Clc1ccccc1[*:1] CN(N=C[*:1])c1ncc(Cl)cc1C(F)(F)F
Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1 O=[N+]([O-])c1cc(ccc1Cl)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)CC(=O)Nc1ccc(Cl)c(c1)[*:1]
Cc1cc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)no1 CN(C)S(=O)(=O)[*:1] Cc1cc(Cn2cc(ccc2=O)[*:1])no1
Cc1cc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)no1 Cc1cc(no1)[*:1] CN(C)S(=O)(=O)c1ccc(=O)n(c1)C[*:1]
C=CCCNC(=S)NC(=O)c1cccc2ccccc12 C=CC[*:1] O=C(NC(=S)NC[*:1])c1cccc2ccccc12
C=CCCNC(=S)NC(=O)c1cccc2ccccc12 C=CCC[*:1] O=C(NC(=S)N[*:1])c1cccc2ccccc12
C[C@@H]1SCCN(Cc2cc[nH]c2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1SCCN(Cc2cc[nH]c2)[C@@H]1[*:1]
C[C@@H]1SCCN(Cc2cc[nH]c2)[C@H]1c1ccccc1 c1cc(c[nH]1)[*:1] C[C@@H]1SCCN(C[*:1])[C@H]1c1ccccc1
C[C@@H]1SCCN(Cc2cc[nH]c2)[C@H]1c1ccccc1 c1cc(c[nH]1)C[*:1] C[C@@H]1SCCN([C@H]1c1ccccc1)[*:1]
Oc1nc2ccc(-n3cnnn3)cc2nc1O c1nnnn1[*:1] Oc1nc2ccc(cc2nc1O)[*:1]
CCCCCN(CCO)C(=O)c1c(O)cccc1O CCCCC[*:1] O=C(c1c(O)cccc1O)N(CCO)[*:1]
CCCCCN(CCO)C(=O)c1c(O)cccc1O CCC[*:1] O=C(c1c(O)cccc1O)N(CCO)CC[*:1]
CCCCCN(CCO)C(=O)c1c(O)cccc1O OCC[*:1] CCCCCN(C(=O)c1c(O)cccc1O)[*:1]
CCCCCN(CCO)C(=O)c1c(O)cccc1O CCCC[*:1] O=C(c1c(O)cccc1O)N(CCO)C[*:1]
C[C@H](CN(C)C(=O)c1cnn2c1nc([O-])c1ccccc12)c1ccccc1 C[C@H](c1ccccc1)[*:1] CN(C[*:1])C(=O)c1cnn2c1nc([O-])c1ccccc12
C[C@H](CN(C)C(=O)c1cnn2c1nc([O-])c1ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CN(C)C(=O)c1cnn2c1nc([O-])c1ccccc12)[*:1]
C[C@H](CN(C)C(=O)c1cnn2c1nc([O-])c1ccccc12)c1ccccc1 C[C@H](C[*:1])c1ccccc1 CN(C(=O)c1cnn2c1nc([O-])c1ccccc12)[*:1]
COc1cccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 COc1cccc(c1)[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CC[NH+](CC1)C[*:1]
COc1cccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 COc1cccc(c1)C[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CC[NH+](CC1)[*:1]
COc1cccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C[NH+]1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COc1ccc(C)cc1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O Cc1cccc(c1)[*:1] COc1ccc(C)cc1NC(=O)c1cccn(C[*:1])c1=O
COc1ccc(C)cc1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O COc1ccc(C)cc1[*:1] Cc1cccc(c1)Cn1cccc(C(=O)N[*:1])c1=O
COc1ccc(C)cc1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O Cc1cccc(c1)C[*:1] COc1ccc(C)cc1NC(=O)c1cccn(c1=O)[*:1]
CCO[C@@H]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 CCO[*:1] Cc1cc(C)c(c(C)c1C(=O)N1CCC[C@H](C1)[*:1])[N+](=O)[O-]
CCO[C@@H]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 O=[N+]([O-])[*:1] CCO[C@@H]1CCCN(C1)C(=O)c1c(C)cc(C)c(c1C)[*:1]
C=CC1CCN(C(=O)NCc2ccnc(OC(C)(C)C)c2)CC1 CC(C)(C)[*:1] C=CC1CCN(CC1)C(=O)NCc1ccnc(c1)O[*:1]
C=CC1CCN(C(=O)NCc2ccnc(OC(C)(C)C)c2)CC1 CC(C)(C)O[*:1] C=CC1CCN(CC1)C(=O)NCc1ccnc(c1)[*:1]
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1C[C@H]1C Clc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1C[NH2+][C@@H]1C[C@H]1C
Cc1ccc(S(=O)(=O)N(C)CCNS(C)(=O)=O)cc1F CS(=O)(=O)NC[*:1] Cc1ccc(cc1F)S(=O)(=O)N(C)C[*:1]
Cc1ccc(S(=O)(=O)N(C)CCNS(C)(=O)=O)cc1F CS(=O)(=O)N[*:1] Cc1ccc(cc1F)S(=O)(=O)N(C)CC[*:1]
Cc1ccc(/C(N)=N/O)c(SC2COC2)n1 N/C(=N\O)[*:1] Cc1ccc(c(n1)SC1COC1)[*:1]
Cc1ccc(/C(N)=N/O)c(SC2COC2)n1 C1OCC1[*:1] Cc1ccc(/C(N)=N/O)c(n1)S[*:1]
Cc1ccc(/C(N)=N/O)c(SC2COC2)n1 C1OCC1S[*:1] Cc1ccc(/C(N)=N/O)c(n1)[*:1]
CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)cc2NC1=O CC(C)[*:1] CC[C@@H]1Oc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)cc2NC1=O CC(C)c1ccc(cc1)[*:1] CC[C@@H]1Oc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1c(-c2ccccc2)nnc2ccccc12 c1ccc(cc1)[*:1] O=C(NCCCN1CC[NH+](CC1)C1CCCCC1)c1c(nnc2ccccc12)[*:1]
COc1ccc(N(Cc2cccs2)C(=O)CNC(C)=O)cc1 CC(=O)NC[*:1] COc1ccc(cc1)N(Cc1cccs1)C(=O)[*:1]
COc1ccc(N(Cc2cccs2)C(=O)CNC(C)=O)cc1 c1csc(c1)[*:1] COc1ccc(cc1)N(C[*:1])C(=O)CNC(C)=O
COc1ccc(N(Cc2cccs2)C(=O)CNC(C)=O)cc1 c1csc(c1)C[*:1] COc1ccc(cc1)N(C(=O)CNC(C)=O)[*:1]
COc1ccc(N(Cc2cccs2)C(=O)CNC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)N(Cc1cccs1)C(=O)C[*:1]
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)[*:1]
C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)NC(=O)[*:1]
Cc1ccc(C(C)C)c2c1[C@@H]([NH2+][C@@H]1CCCN(c3cccnn3)C1)CCO2 c1cnnc(c1)[*:1] Cc1ccc(c2OCC[C@H]([NH2+][C@@H]3CCCN(C3)[*:1])c12)C(C)C
Cc1ccc(C(C)C)c2c1[C@@H]([NH2+][C@@H]1CCCN(c3cccnn3)C1)CCO2 CC(C)[*:1] Cc1ccc(c2OCC[C@H]([NH2+][C@@H]3CCCN(C3)c3cccnn3)c12)[*:1]
CC(C)OCC[S@](=O)Cc1ccc(I)cc1 CC(C)OC[*:1] O=[S@](Cc1ccc(I)cc1)C[*:1]
CC(C)OCC[S@](=O)Cc1ccc(I)cc1 CC(C)[*:1] O=[S@@](CCO[*:1])Cc1ccc(I)cc1
CC(C)OCC[S@](=O)Cc1ccc(I)cc1 CC(C)O[*:1] O=[S@@](CC[*:1])Cc1ccc(I)cc1
C=CCn1c(SCc2cc([O-])n3ncc(C#N)c3n2)nnc1-c1ccc(OC)cc1 C=CC[*:1] COc1ccc(cc1)-c1nnc(SCc2cc([O-])n3ncc(C#N)c3n2)n1[*:1]
C=CCn1c(SCc2cc([O-])n3ncc(C#N)c3n2)nnc1-c1ccc(OC)cc1 COc1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])SCc1cc([O-])n2ncc(C#N)c2n1
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CCc1nn(C)cc1/C([O-])=N/S(=O)(=O)c1cncc(Cl)c1 Clc1cncc(c1)[*:1] CCc1nn(C)cc1/C([O-])=N/S(=O)(=O)[*:1]
CCOc1ccccc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] CCOc1ccccc1C(=O)NC[C@H](c1ccc(F)cc1)[*:1]
CCOc1ccccc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 CCO[*:1] O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1[*:1]
CCOc1ccccc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 CCOc1ccccc1[*:1] O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[*:1]
CCOc1ccccc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 Fc1ccc(cc1)[*:1] CCOc1ccccc1C(=O)NC[C@H](N1CCOCC1)[*:1]
C[NH+](C)[C@H](CNC(=O)Nc1ccccc1CC(N)=O)c1cccs1 NC(=O)C[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccccc1[*:1])c1cccs1
C[NH+](C)[C@H](CNC(=O)Nc1ccccc1CC(N)=O)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccccc1CC(N)=O)[*:1]
C[NH+](C)[C@H](CNC(=O)Nc1ccccc1CC(N)=O)c1cccs1 NC(=O)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C[*:1])c1cccs1
CC(C)CNC(=O)CSc1nnc(C[NH+]2CCCCC2)o1 CC(C)C[*:1] O=C(CSc1nnc(C[NH+]2CCCCC2)o1)N[*:1]
CC(C)CNC(=O)CSc1nnc(C[NH+]2CCCCC2)o1 CC(C)CNC(=O)[*:1] C1CC[NH+](CC1)Cc1nnc(o1)SC[*:1]
CC(C)CNC(=O)CSc1nnc(C[NH+]2CCCCC2)o1 CC(C)[*:1] O=C(CSc1nnc(C[NH+]2CCCCC2)o1)NC[*:1]
COCCCC(=O)NCc1ccc(C#CC[NH3+])cc1 COCC[*:1] [NH3+]CC#Cc1ccc(cc1)CNC(=O)C[*:1]
COCCCC(=O)NCc1ccc(C#CC[NH3+])cc1 COC[*:1] [NH3+]CC#Cc1ccc(cc1)CNC(=O)CC[*:1]
COCCCC(=O)NCc1ccc(C#CC[NH3+])cc1 COCCC[*:1] [NH3+]CC#Cc1ccc(cc1)CNC(=O)[*:1]
CCS[C@H](C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1)C(C)C FC(F)(F)C[*:1] CCS[C@H](C(=O)N1CCC[C@@H](C1)C(=O)N[*:1])C(C)C
CCS[C@H](C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1)C(C)C CCS[*:1] CC(C)[C@@H](C(=O)N1CCC[C@@H](C1)C(=O)NCC(F)(F)F)[*:1]
CCS[C@H](C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1)C(C)C FC(F)(F)[*:1] CCS[C@H](C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1])C(C)C
CCS[C@H](C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1)C(C)C CC(C)[*:1] CCS[C@H](C(=O)N1CCC[C@@H](C1)C(=O)NCC(F)(F)F)[*:1]
COCc1cccc(NC(=O)N(C)Cc2ccsc2)c1 COC[*:1] CN(Cc1ccsc1)C(=O)Nc1cccc(c1)[*:1]
COCc1cccc(NC(=O)N(C)Cc2ccsc2)c1 c1cc(cs1)[*:1] COCc1cccc(c1)NC(=O)N(C)C[*:1]
COCc1cccc(NC(=O)N(C)Cc2ccsc2)c1 c1cc(cs1)C[*:1] COCc1cccc(c1)NC(=O)N(C)[*:1]
CC1CCN(c2cc(N3CC[NH+](C)CC3)ccc2NC(=O)c2cc(C#N)c[nH]2)CC1 N#Cc1c[nH]c(c1)[*:1] CC1CCN(CC1)c1cc(ccc1NC(=O)[*:1])N1CC[NH+](C)CC1
CC1CCN(c2cc(N3CC[NH+](C)CC3)ccc2NC(=O)c2cc(C#N)c[nH]2)CC1 N#Cc1c[nH]c(c1)C(=O)N[*:1] CC1CCN(CC1)c1cc(ccc1[*:1])N1CC[NH+](C)CC1
CC1CCN(c2cc(N3CC[NH+](C)CC3)ccc2NC(=O)c2cc(C#N)c[nH]2)CC1 CC1CCN(CC1)[*:1] C[NH+]1CCN(CC1)c1ccc(NC(=O)c2cc(C#N)c[nH]2)c(c1)[*:1]
COc1ccc(-c2ccc(/C=C3\SC(=S)N=C3[O-])o2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(-c2ccc(/C=C3\SC(=S)N=C3[O-])o2)c(c1)[*:1]
Cc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)ccn1 Cc1cc(ccn1)[*:1] Cc1nn(Cc2ccc(cc2)C(=O)N[*:1])c(C)c1[N+](=O)[O-]
Cc1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)ccn1 O=[N+]([O-])[*:1] Cc1cc(ccn1)NC(=O)c1ccc(cc1)Cn1nc(C)c(c1C)[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)cc12 Fc1cccc(c1F)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)[C@@H]1C[C@H]1[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)cc12 NC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])[C@@H]1C[C@@H]1c1cccc(F)c1F
CC[C@@H](NC(=O)N[C@H](C)c1ccc2ccccc2c1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H](NC(=O)N[C@H](C)c1ccc2ccccc2c1)[*:1]
CNC(=O)c1cccc(CC[NH2+]Cc2cc(C)c(OC)c(C)c2)c1 CNC(=O)[*:1] COc1c(C)cc(cc1C)C[NH2+]CCc1cccc(c1)[*:1]
C[C@@H]1SCCC[C@H]1[NH2+]CCC(F)(F)F FC(F)(F)[*:1] C[C@@H]1SCCC[C@H]1[NH2+]CC[*:1]
CCN1CCc2c(sc(NC(=O)c3ccno3)c2-c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] CCN1CCc2c(C1)sc(NC(=O)c1ccno1)c2[*:1]
CCN1CCc2c(sc(NC(=O)c3ccno3)c2-c2nc3ccccc3s2)C1 O=C(N[*:1])c1ccno1 CCN1CCc2c(C1)sc(c2-c1nc2ccccc2s1)[*:1]
CCN1CCc2c(sc(NC(=O)c3ccno3)c2-c2nc3ccccc3s2)C1 c1cc(on1)[*:1] CCN1CCc2c(C1)sc(NC(=O)[*:1])c2-c1nc2ccccc2s1
CCCc1cc(NC(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n(C)n1 C1CC1[*:1] CCCc1cc(NC(=O)N(Cc2ccc(o2)[C@@H]2C[C@@H]2C)[*:1])n(C)n1
CCCc1cc(NC(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n(C)n1 CCC[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2cc(nn2C)[*:1])C2CC2)o1
Cc1cccc2c(=O)c(NC(=O)N3CCN(c4ccccc4)CC3)c[nH]c12 c1ccc(cc1)[*:1] Cc1cccc2c(=O)c(c[nH]c12)NC(=O)N1CCN(CC1)[*:1]
CC(C)(C)C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(F)cc1 C1CO[C@H](C1)[*:1] CC(C)(C)C[C@H](NC(=O)[*:1])c1ccc(F)cc1
CC(C)(C)C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(F)cc1 CC(C)(C)[*:1] O=C(N[C@@H](C[*:1])c1ccc(F)cc1)[C@H]1CCCO1
CC(C)(C)C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(F)cc1 CC(C)(C)C[*:1] O=C(N[C@H](c1ccc(F)cc1)[*:1])[C@H]1CCCO1
CC(C)(C)C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)C[C@H](NC(=O)[C@H]1CCCO1)[*:1]
COc1ccccc1CC(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 COc1ccccc1[*:1] O=C(C[*:1])N1CCC(CC1)c1cc2nc(ccc2[nH]1)C(F)(F)F
COc1ccccc1CC(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 COc1ccccc1C[*:1] O=C(N1CCC(CC1)c1cc2nc(ccc2[nH]1)C(F)(F)F)[*:1]
COc1ccccc1CC(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 FC(F)(F)[*:1] COc1ccccc1CC(=O)N1CCC(CC1)c1cc2nc(ccc2[nH]1)[*:1]
COC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@]2(C)C(=O)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)C(=O)[C@@]1(C)[C@@H]2c3c(ccc4ccccc34)OC(=O)[C@]21[*:1]
COC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@]2(C)C(=O)c1ccc(C)cc1 Cc1ccc(cc1)C(=O)[*:1] COC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@@]2(C)[*:1]
COC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@]2(C)C(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@]2(C)C(=O)[*:1]
c1ccc(CCOC2CCN(Cc3cnc(C4CC4)s3)CC2)cc1 c1ccc(cc1)C[*:1] c1nc(sc1CN1CCC(CC1)OC[*:1])C1CC1
c1ccc(CCOC2CCN(Cc3cnc(C4CC4)s3)CC2)cc1 c1nc(sc1[*:1])C1CC1 c1ccc(cc1)CCOC1CCN(CC1)C[*:1]
c1ccc(CCOC2CCN(Cc3cnc(C4CC4)s3)CC2)cc1 C1CC1[*:1] c1ccc(cc1)CCOC1CCN(CC1)Cc1cnc(s1)[*:1]
c1ccc(CCOC2CCN(Cc3cnc(C4CC4)s3)CC2)cc1 c1ccc(cc1)[*:1] c1nc(sc1CN1CCC(CC1)OCC[*:1])C1CC1
c1ccc(CCOC2CCN(Cc3cnc(C4CC4)s3)CC2)cc1 c1ccc(cc1)CC[*:1] c1nc(sc1CN1CCC(CC1)O[*:1])C1CC1
COc1ccc(C2(CNC(=O)C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)CCCC2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)N1CCCc2ccc(cc21)NC(=O)C(=O)NCC1(CCCC1)[*:1]
COc1ccccc1OC(=O)[C@H]1C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1OC(=O)[C@H]1C[C@@H]1[*:1]
CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 CC(C)(C)OC(=O)[*:1] C[C@]1(CCS(=O)(=O)C1)n1cc(cn1)CN1CCC[C@H]1[*:1]
CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 CC(C)(C)[*:1] C[C@]1(CCS(=O)(=O)C1)n1cc(cn1)CN1CCC[C@H]1C(=O)O[*:1]
CC(=O)Nc1ccc(SCCOc2ccc([N+](=O)[O-])cc2)cc1 CC(=O)N[*:1] O=[N+]([O-])c1ccc(cc1)OCCSc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(SCCOc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)SCCOc1ccc(cc1)[*:1]
CC[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(-n2nnnc2C)c1 Cc1nnnn1[*:1] CC[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(c1)[*:1]
CC[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(-n2nnnc2C)c1 CC[C@H](C)[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)CNC(=O)[*:1]
CC[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(-n2nnnc2C)c1 CC[C@H](C)C(=O)N[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)C[*:1]
CC[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(-n2nnnc2C)c1 CC[C@H](C)C(=O)NC[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)[*:1]
CC(C)(C)C[C@@H](NC(=O)CN1CCOCC1)c1ccc(F)cc1 CC(C)(C)C[*:1] O=C(CN1CCOCC1)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)(C)C[C@@H](NC(=O)CN1CCOCC1)c1ccc(F)cc1 CC(C)(C)[*:1] O=C(CN1CCOCC1)N[C@H](C[*:1])c1ccc(F)cc1
CC(C)(C)C[C@@H](NC(=O)CN1CCOCC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)C[C@@H](NC(=O)CN1CCOCC1)[*:1]
CC(C)(C)C[C@@H](NC(=O)CN1CCOCC1)c1ccc(F)cc1 C1CN(CCO1)[*:1] CC(C)(C)C[C@@H](NC(=O)C[*:1])c1ccc(F)cc1
CC(C)(C)C[C@@H](NC(=O)CN1CCOCC1)c1ccc(F)cc1 C1CN(CCO1)C[*:1] CC(C)(C)C[C@@H](NC(=O)[*:1])c1ccc(F)cc1
O=C([O-])c1nn2cc(Br)cnc2c1Br O=C([O-])[*:1] Brc1cnc2c(Br)c(nn2c1)[*:1]
COc1ccc(CCNC(=O)NCC2CCN(c3ncnc4ccccc34)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])NCC1CCN(CC1)c1ncnc2ccccc12
COc1ccc(CCNC(=O)NCC2CCN(c3ncnc4ccccc34)CC2)cc1 c1ccc2c(ncnc2c1)[*:1] COc1ccc(cc1)CCNC(=O)NCC1CCN(CC1)[*:1]
COc1ccc(CCNC(=O)NCC2CCN(c3ncnc4ccccc34)CC2)cc1 COc1ccc(cc1)CC[*:1] O=C(NCC1CCN(CC1)c1ncnc2ccccc12)N[*:1]
COc1ccc(CCNC(=O)NCC2CCN(c3ncnc4ccccc34)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(NCC1CCN(CC1)c1ncnc2ccccc12)NC[*:1]
CC(C)CNC(=O)C1([NH2+]CCn2cccn2)CCCC1 CC(C)C[*:1] O=C(N[*:1])C1(CCCC1)[NH2+]CCn1cccn1
CC(C)CNC(=O)C1([NH2+]CCn2cccn2)CCCC1 CC(C)[*:1] O=C(NC[*:1])C1(CCCC1)[NH2+]CCn1cccn1
CC(C)CNC(=O)C1([NH2+]CCn2cccn2)CCCC1 c1cnn(c1)C[*:1] CC(C)CNC(=O)C1(CCCC1)[NH2+]C[*:1]
CC(C)CNC(=O)C1([NH2+]CCn2cccn2)CCCC1 c1cnn(c1)[*:1] CC(C)CNC(=O)C1(CCCC1)[NH2+]CC[*:1]
CCCN[C@@H](c1ccnn1C)C(C)(C)[NH+]1CCCCCC1 CCCN[*:1] Cn1nccc1[C@@H](C(C)(C)[NH+]1CCCCCC1)[*:1]
CCCN[C@@H](c1ccnn1C)C(C)(C)[NH+]1CCCCCC1 Cn1nccc1[*:1] CCCN[C@@H](C(C)(C)[NH+]1CCCCCC1)[*:1]
CCCN[C@@H](c1ccnn1C)C(C)(C)[NH+]1CCCCCC1 CCC[*:1] Cn1nccc1[C@H](N[*:1])C(C)(C)[NH+]1CCCCCC1
Cc1ccc(C)c(-n2nc(C)c(/C=C(/C#N)C(=O)[O-])c2Cl)c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)-n1nc(C)c(C=C(C#N)[*:1])c1Cl
Cc1ccc(C)c(-n2nc(C)c(/C=C(/C#N)C(=O)[O-])c2Cl)c1 N#CC(=C[*:1])C(=O)[O-] Cc1ccc(C)c(c1)-n1nc(C)c(c1Cl)[*:1]
O=C(Nc1ccnc2ccc(F)cc12)c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1ccnc2ccc(F)cc12)[*:1]
COC(=O)[C@H]1[C@@H](c2ccc(SC)cc2)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O COC(=O)[*:1] COC(=O)[C@H]1[C@@H](c2ccc(cc2)SC)[C@@H](C(=O)C[C@]1(C)O)[*:1]
COC(=O)[C@H]1[C@@H](c2ccc(SC)cc2)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O CSc1ccc(cc1)[*:1] COC(=O)[C@H]1[C@@H]([C@H](C(=O)C[C@]1(C)O)C(=O)OC)[*:1]
COC(=O)[C@H]1[C@@H](c2ccc(SC)cc2)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O COC(=O)[*:1] COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H]([C@H]1c1ccc(cc1)SC)[*:1]
O=C([O-])C1=CN(c2ccccc2)C[NH2+][C@H]1c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 c1ccc(cc1)[*:1] O=C([O-])C1=CN(C[NH2+][C@H]1c1ccc(cc1)NC(=S)NC(=O)c1cc2ccccc2o1)[*:1]
O=C([O-])C1=CN(c2ccccc2)C[NH2+][C@H]1c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 c1ccc2oc(cc2c1)[*:1] O=C([O-])C1=CN(C[NH2+][C@H]1c1ccc(cc1)NC(=S)NC(=O)[*:1])c1ccccc1
CC(C)Cn1ccnc(N[C@@H]2C=CCCC2)c1=O CC(C)[*:1] O=c1c(nccn1C[*:1])N[C@@H]1C=CCCC1
CC(C)Cn1ccnc(N[C@@H]2C=CCCC2)c1=O CC(C)C[*:1] O=c1c(nccn1[*:1])N[C@@H]1C=CCCC1
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)Cc1ccon1 COC(=O)[*:1] O=C(Cc1ccon1)N[C@H]1CCCC[C@@H]1[*:1]
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)Cc1ccon1 c1cc(C[*:1])no1 COC(=O)[C@H]1CCCC[C@@H]1NC(=O)[*:1]
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)Cc1ccon1 c1cc(no1)[*:1] COC(=O)[C@H]1CCCC[C@@H]1NC(=O)C[*:1]
CCc1cnc(CN(C)C(=O)c2cc(C)nc3c2cnn3[C@@H](C)CC)s1 CCc1cnc(C[*:1])s1 CC[C@H](C)n1ncc2c(cc(C)nc21)C(=O)N(C)[*:1]
CCc1cnc(CN(C)C(=O)c2cc(C)nc3c2cnn3[C@@H](C)CC)s1 CC[C@H](C)[*:1] CCc1cnc(CN(C)C(=O)c2cc(C)nc3c2cnn3[*:1])s1
CCc1cnc(CN(C)C(=O)c2cc(C)nc3c2cnn3[C@@H](C)CC)s1 CCc1cnc(s1)[*:1] CC[C@H](C)n1ncc2c(cc(C)nc21)C(=O)N(C)C[*:1]
CN(CC(C)(C)O)c1ccc(C(F)(F)F)cc1/C(N)=N/O FC(F)(F)[*:1] CN(CC(C)(C)O)c1ccc(cc1/C(N)=N/O)[*:1]
CN(CC(C)(C)O)c1ccc(C(F)(F)F)cc1/C(N)=N/O N/C(=N\O)[*:1] CN(CC(C)(C)O)c1ccc(cc1[*:1])C(F)(F)F
CN(CC(C)(C)O)c1ccc(C(F)(F)F)cc1/C(N)=N/O CN(CC(C)(C)O)[*:1] N/C(=N\O)c1cc(ccc1[*:1])C(F)(F)F
CN(CC(C)(C)O)c1ccc(C(F)(F)F)cc1/C(N)=N/O CC(C)(O)[*:1] CN(C[*:1])c1ccc(cc1/C(N)=N/O)C(F)(F)F
CN(CC(C)(C)O)c1ccc(C(F)(F)F)cc1/C(N)=N/O CC(C)(O)C[*:1] CN(c1ccc(cc1/C(N)=N/O)C(F)(F)F)[*:1]
C[C@H](C(=O)NCC1CCCCC1)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] C[C@H](C(=O)NCC1CCCCC1)N1CCN(CC1)[*:1]
C[C@H](C(=O)NCC1CCCCC1)N1CCN(c2cccc(Cl)c2)CC1 C1CCC(CC1)C[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)c1cccc(Cl)c1
C[C@H](C(=O)NCC1CCCCC1)N1CCN(c2cccc(Cl)c2)CC1 C1CCC(CC1)[*:1] C[C@H](C(=O)NC[*:1])N1CCN(CC1)c1cccc(Cl)c1
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC[C@@H](C)Cn1cccn1 c1cnn(c1)C[*:1] CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC[C@@H](C)[*:1]
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC[C@@H](C)Cn1cccn1 C[C@H]1C[C@H]1[*:1] CC(C)N(C[*:1])C(=O)NC[C@@H](C)Cn1cccn1
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC[C@@H](C)Cn1cccn1 C[C@H]1C[C@H]1C[*:1] CC(C)N(C(=O)NC[C@@H](C)Cn1cccn1)[*:1]
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC[C@@H](C)Cn1cccn1 c1cnn(c1)[*:1] CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC[C@@H](C)C[*:1]
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC[C@@H](C)Cn1cccn1 CC(C)[*:1] C[C@H]1C[C@H]1CN(C(=O)NC[C@@H](C)Cn1cccn1)[*:1]
CCCCNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 CCCCNC(=O)[*:1] Cc1ccc(Cl)cc1N1C[C@@H](CC1=O)[*:1]
CCCCNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 CCCC[*:1] Cc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)N[*:1]
CCCCNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 CCC[*:1] Cc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)NC[*:1]
COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(C)C)cc1 COCCOC(=O)[*:1] CC1NC(=O)N[C@H](C=1[*:1])c1ccc(cc1)C(C)C
COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(cc1)[*:1]
COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(C)C)cc1 COCC[*:1] CC1NC(=O)N[C@H](C=1C(=O)O[*:1])c1ccc(cc1)C(C)C
COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(C)C)cc1 COC[*:1] CC1NC(=O)N[C@H](C=1C(=O)OC[*:1])c1ccc(cc1)C(C)C
COc1cccc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)c1 COc1cccc(c1)[*:1] O=S(=O)(NC[*:1])c1ccccc1OC(F)(F)F
COc1cccc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)c1 FC(F)(F)O[*:1] COc1cccc(c1)CNS(=O)(=O)c1ccccc1[*:1]
COc1cccc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)c1 FC(F)(F)[*:1] COc1cccc(c1)CNS(=O)(=O)c1ccccc1O[*:1]
COc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)c1 Cc1cccc(c1)[*:1] COc1cccc(c1)NC(=O)c1cc(ccc1C)S(=O)(=O)N[*:1]
COc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)c1 COc1cccc(c1)[*:1] Cc1cccc(c1)NS(=O)(=O)c1ccc(C)c(c1)C(=O)N[*:1]
CCc1nncn1CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 CCc1nncn1[*:1] O=C(NCC[*:1])Nc1ccc(c(Cl)c1)[N+](=O)[O-]
CCc1nncn1CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] CCc1nncn1CCNC(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1n[n-]c(C(=O)N(CCC#N)CCC#N)n1 N#CCC[*:1] Cc1n[n-]c(n1)C(=O)N(CCC#N)[*:1]
Cc1n[n-]c(C(=O)N(CCC#N)CCC#N)n1 N#CC[*:1] Cc1n[n-]c(n1)C(=O)N(CCC#N)C[*:1]
Cc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(N)=O)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1cc2ccc(O)cc2oc1=[NH+][*:1]
Cc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(N)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)/[NH+]=c1\oc2cc(O)ccc2cc1[*:1]
COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)Nc2cccc(c2)[*:1])c(c1)OC
O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)[C@@H]1CCCO1)N[*:1]
C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCc3cccc1c32)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
C#CC[C@]1(C(C)C)CCCCC[NH2+]1 CC(C)[*:1] C#CC[C@@]1(CCCCC[NH2+]1)[*:1]
C#CC[C@]1(C(C)C)CCCCC[NH2+]1 C#CC[*:1] CC(C)[C@@]1(CCCCC[NH2+]1)[*:1]
C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] C[C@@H](C(=O)NCc1ccc2OCOc2c1)[NH+]1CCN(CC1)[*:1]
C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(Cl)c2)CC1 c1cc2OCOc2cc1[*:1] C[C@@H](C(=O)NC[*:1])[NH+]1CCN(CC1)c1cccc(Cl)c1
O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccccc1 Oc1ccccc1[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])Nc1ccccc1
O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)N[*:1]
O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2O)n1[*:1])Nc1ccccc1
O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] Oc1ccccc1-c1nnc(SC[*:1])n1-c1ccccc1
Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 NC(=O)[*:1] Cn1cc(cc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] Cn1cc(cc1C(=O)N[C@H]1CCO[C@H]1[*:1])C(N)=O
COCCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 COCC[*:1] O=C(N[*:1])[C@H]1Cc2ccccc2N1C(=O)c1ccccc1
COCCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 COCCNC(=O)[*:1] O=C(c1ccccc1)N1c2ccccc2C[C@@H]1[*:1]
COCCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] COCCNC(=O)[C@H]1Cc2ccccc2N1C(=O)[*:1]
COCCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 COC[*:1] O=C(NC[*:1])[C@H]1Cc2ccccc2N1C(=O)c1ccccc1
Cc1c(CCNC(=O)c2ccnc(OC3CCC3)c2)cnn1C C1CC(C1)[*:1] Cc1c(cnn1C)CCNC(=O)c1ccnc(c1)O[*:1]
Cc1c(CCNC(=O)c2ccnc(OC3CCC3)c2)cnn1C Cc1c(cnn1C)[*:1] O=C(NCC[*:1])c1ccnc(c1)OC1CCC1
Cc1c(CCNC(=O)c2ccnc(OC3CCC3)c2)cnn1C C1CC(C1)O[*:1] Cc1c(cnn1C)CCNC(=O)c1ccnc(c1)[*:1]
Cc1ccc([C@@](C)(O)CNc2ncnc3nc(N)ccc23)o1 Cc1ccc(o1)[*:1] C[C@@](O)(CNc1ncnc2nc(N)ccc12)[*:1]
C[S@](=O)CCNC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 C1CCC(CC1)[*:1] C[S@](=O)CCNC(=O)N(Cc1ccc2OCOc2c1)[*:1]
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)N([C@@H]2CCS(=O)(=O)C2)[*:1])C1=O
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1=O)[*:1]
O=C1C[C@@H](c2ccccc2)c2scc(-c3cccc(F)c3)c2N1 c1ccc(cc1)[*:1] O=C1C[C@@H](c2scc(-c3cccc(F)c3)c2N1)[*:1]
O=C1C[C@@H](c2ccccc2)c2scc(-c3cccc(F)c3)c2N1 Fc1cccc(c1)[*:1] O=C1C[C@@H](c2ccccc2)c2scc(c2N1)[*:1]
CC(C)NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CC(C)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N[*:1]
CCc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)cs1 CCc1cc(cs1)[*:1] CC(=O)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCN1C(=O)SC(=C[*:1])C1=O
COc1ccc(F)cc1C(=O)NC[C@@H](C)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(F)cc1C(=O)NC[C@@H](C)O[*:1]
Cc1ccc(-c2n[n-]c(NC(=O)c3ccnc4ccccc34)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(n[n-]1)[*:1])c1ccnc2ccccc12
Cc1nc(C)c(C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2C[NH+](C)C)s1 Cc1nc(C)c(s1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C
CC[C@H](C)n1ncc(C(=O)NC[C@@H](C)N2CCOCC2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)NC[C@@H](C)N2CCOCC2)c1[*:1]
CC[C@H](C)n1ncc(C(=O)NC[C@@H](C)N2CCOCC2)c1C1CC1 CC[C@H](C)[*:1] C[C@H](CNC(=O)c1cnn(c1C1CC1)[*:1])N1CCOCC1
CC[C@H](C)n1ncc(C(=O)NC[C@@H](C)N2CCOCC2)c1C1CC1 C1CN(CCO1)[*:1] CC[C@H](C)n1ncc(C(=O)NC[C@@H](C)[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)NC[C@@H](C)N2CCOCC2)c1C1CC1 C[C@@H](N1CCOCC1)[*:1] CC[C@H](C)n1ncc(C(=O)NC[*:1])c1C1CC1
COc1cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC Brc1cccc(c1)[*:1] COc1cc(C=C(C#N)c2nc(cs2)[*:1])cc(OC)c1OC
O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C[S@](=O)c1ccccc1)[C@H](O)[*:1]
O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] O=C(Nc1cccc(c1)C[S@](=O)c1ccccc1)[*:1]
O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C[S@](=O)[*:1])[C@H](O)c1ccccc1
Cc1cc2c(cc1Br)N(C(=O)c1cnccn1)C[C@@H](C)O2 c1cnc(cn1)[*:1] Cc1cc2O[C@H](C)CN(C(=O)[*:1])c2cc1Br
Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(O)cc3O)c(Cl)c2)c(O)c1 Oc1ccc(c(O)c1)[*:1] Oc1ccc(/C=N/c2ccc(cc2Cl)N=C[*:1])c(O)c1
Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(O)cc3O)c(Cl)c2)c(O)c1 Oc1ccc(c(O)c1)[*:1] Oc1ccc(/C=N/c2ccc(N=C[*:1])c(Cl)c2)c(O)c1
C[C@H](CNC(=O)NCCCO)Oc1cccc(Cl)c1 OCC[*:1] C[C@H](CNC(=O)NC[*:1])Oc1cccc(Cl)c1
C[C@H](CNC(=O)NCCCO)Oc1cccc(Cl)c1 OCCC[*:1] C[C@H](CNC(=O)N[*:1])Oc1cccc(Cl)c1
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(C(C)C)c1 CC(C)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cc(C)oc3C)C2=O)cc1 Cc1cc(c(C)o1)[*:1] Cc1ccc(cc1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cc(C)oc3C)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(c(C)o1)[C@@]1(C)NC(=O)N(CC(=O)[*:1])C1=O
Cc1noc(C)c1[C@@H](C)NC(=O)NCc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)NCc1ccc(cc1)C[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)NCc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 Cc1noc(C)c1[C@@H](C)NC(=O)NCc1ccc(cc1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)NCc1ccc(Cn2cncn2)cc1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)Cn1cncn1)[*:1]
COc1ccccc1[C@@H](NC(=O)c1ccc(F)cc1O)c1nccn1C COc1ccccc1[*:1] Cn1ccnc1[C@H](NC(=O)c1ccc(F)cc1O)[*:1]
COc1ccccc1[C@@H](NC(=O)c1ccc(F)cc1O)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@@H](NC(=O)c1ccc(F)cc1O)[*:1]
COc1ccccc1[C@@H](NC(=O)c1ccc(F)cc1O)c1nccn1C Oc1cc(F)ccc1[*:1] COc1ccccc1[C@@H](NC(=O)[*:1])c1nccn1C
C[C@](O)(CNc1ncnc2ccc(F)cc12)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNc1ncnc2ccc(F)cc12)[*:1]
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3C[C@@H](c4cccs4)CC(=O)[C@@H]32)ccc1O c1csc(c1)[*:1] COc1cc(ccc1O)[C@@H]1C(C(=O)OCC(C)C)=C(C)N=C2C[C@@H](CC(=O)[C@@H]21)[*:1]
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3C[C@@H](c4cccs4)CC(=O)[C@@H]32)ccc1O COc1cc(ccc1O)[*:1] CC1N=C2C[C@H](CC(=O)[C@@H]2[C@@H](C=1C(=O)OCC(C)C)[*:1])c1cccs1
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3C[C@@H](c4cccs4)CC(=O)[C@@H]32)ccc1O CC(C)COC(=O)[*:1] COc1cc(ccc1O)[C@@H]1C(=C(C)N=C2C[C@H](CC(=O)[C@@H]21)c1cccs1)[*:1]
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3C[C@@H](c4cccs4)CC(=O)[C@@H]32)ccc1O CC(C)C[*:1] COc1cc(ccc1O)[C@@H]1C(C(=O)O[*:1])=C(C)N=C2C[C@H](CC(=O)[C@@H]21)c1cccs1
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3C[C@@H](c4cccs4)CC(=O)[C@@H]32)ccc1O CC(C)[*:1] COc1cc(ccc1O)[C@@H]1C(C(=O)OC[*:1])=C(C)N=C2C[C@H](CC(=O)[C@@H]21)c1cccs1
Cc1ccccc1-c1noc(=O)n1CC(=O)N[C@](C)(C#N)C(C)C Cc1ccccc1[*:1] CC(C)[C@@](C)(C#N)NC(=O)Cn1c(noc1=O)[*:1]
Cc1ccccc1-c1noc(=O)n1CC(=O)N[C@](C)(C#N)C(C)C CC(C)[*:1] Cc1ccccc1-c1noc(=O)n1CC(=O)N[C@](C)(C#N)[*:1]
CCCNC(=O)C(=O)N/N=C/c1ccccc1Cl CCC[*:1] O=C(N/N=C/c1ccccc1Cl)C(=O)N[*:1]
Cc1ccc2c(C)c(C(=O)Nc3ccccc3)oc2c1 c1ccc(cc1)[*:1] Cc1ccc2c(C)c(oc2c1)C(=O)N[*:1]
COc1ccc(C(=O)N[C@H](C(=O)Oc2ccc(Cl)cc2Cl)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)N[C@H](C(=O)Oc1ccc(Cl)cc1Cl)[*:1]
COc1ccc(C(=O)N[C@H](C(=O)Oc2ccc(Cl)cc2Cl)C(C)C)cc1 Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)C(=O)N[C@H](C(=O)O[*:1])C(C)C
COc1ccc(C(=O)N[C@H](C(=O)Oc2ccc(Cl)cc2Cl)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Oc1ccc(Cl)cc1Cl
Cc1ccc(C2=Nc3ncnn3[C@H](c3c(Cl)cccc3Cl)C2)cc1 Cc1ccc(cc1)[*:1] Clc1cccc(Cl)c1[C@@H]1CC(=Nc2ncnn21)[*:1]
Cc1ccc(C2=Nc3ncnn3[C@H](c3c(Cl)cccc3Cl)C2)cc1 Clc1cccc(Cl)c1[*:1] Cc1ccc(cc1)C1C[C@@H](n2ncnc2N=1)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)C1CCCC1 CC[S@@](=O)[*:1] O=C(N[C@H]1CCCC[C@@H]1[*:1])C1CCCC1
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)C1CCCC1 C1CCC(C1)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)[*:1]
Cc1nn2ncc(C(=O)N3CCCN(C(=O)c4ccccc4)CC3)c2[nH]1 c1ccc(cc1)[*:1] Cc1nn2ncc(C(=O)N3CCCN(CC3)C(=O)[*:1])c2[nH]1
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC[NH+]1CCOCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1C(=O)NCCC[NH+]1CCOCC1)[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)Cc1cccs1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N(C)[C@@H](C)Cc1cccs1
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)C[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 Cc1ccc(o1)[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@@H](C1)[NH2+]Cc1c[nH]nc1[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 N#Cc1ccc(c(F)c1)[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH2+][C@H]1CCCN(C1)[*:1]
Cn1nc(CNC(=O)NCc2ccc(F)cc2)c2ccccc2c1=O Fc1ccc(cc1)[*:1] Cn1nc(CNC(=O)NC[*:1])c2ccccc2c1=O
Cn1nc(CNC(=O)NCc2ccc(F)cc2)c2ccccc2c1=O Fc1ccc(cc1)C[*:1] Cn1nc(CNC(=O)N[*:1])c2ccccc2c1=O
COC(=O)c1[nH]/c(=N/C(=O)c2cn(C)c(=O)c3ccccc23)sc1CC(C)C CC(C)[*:1] COC(=O)c1[nH]/c(=N/C(=O)c2cn(C)c(=O)c3ccccc23)sc1C[*:1]
COC(=O)c1[nH]/c(=N/C(=O)c2cn(C)c(=O)c3ccccc23)sc1CC(C)C COC(=O)[*:1] CC(C)Cc1s/c(=N\C(=O)c2cn(C)c(=O)c3ccccc23)[nH]c1[*:1]
COC(=O)c1[nH]/c(=N/C(=O)c2cn(C)c(=O)c3ccccc23)sc1CC(C)C CC(C)C[*:1] COC(=O)c1[nH]/c(=N/C(=O)c2cn(C)c(=O)c3ccccc23)sc1[*:1]
C#CCN1CCC(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)CC1 C#CC[*:1] COc1ccc(cc1)[C@@H]1C[C@H](C)N(C1)C(=O)C1CCN(CC1)[*:1]
C#CCN1CCC(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)CC1 COc1ccc(cc1)[*:1] C#CCN1CCC(CC1)C(=O)N1C[C@H](C[C@@H]1C)[*:1]
Cc1cc(-c2ccccc2)[n+](Cc2ccccc2)c(-c2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cc(-c2ccccc2)[n+](c(c1)-c1ccccc1)[*:1]
Cc1cc(-c2ccccc2)[n+](Cc2ccccc2)c(-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(-c2ccccc2)[n+](Cc2ccccc2)c(c1)[*:1]
Cc1cc(-c2ccccc2)[n+](Cc2ccccc2)c(-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(-c2ccccc2)[n+](C[*:1])c(c1)-c1ccccc1
C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1[*:1]
CN(C)c1ncc2c(n1)CN(C(=O)[C@H]1CCCN1C(=O)c1cccnc1)CC2 c1cncc(c1)[*:1] CN(C)c1ncc2CCN(Cc2n1)C(=O)[C@H]1CCCN1C(=O)[*:1]
CN(C)c1ncc2c(n1)CN(C(=O)[C@H]1CCCN1C(=O)c1cccnc1)CC2 CN(C)[*:1] O=C([C@H]1CCCN1C(=O)c1cccnc1)N1CCc2cnc(nc2C1)[*:1]
Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1nnc(NCC(C)C)s1 c1ccc(cc1)[*:1] Cc1oc(nc1CS(=O)(=O)c1nnc(NCC(C)C)s1)[*:1]
Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1nnc(NCC(C)C)s1 CC(C)CN[*:1] Cc1oc(nc1CS(=O)(=O)c1nnc(s1)[*:1])-c1ccccc1
Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1nnc(NCC(C)C)s1 CC(C)[*:1] Cc1oc(nc1CS(=O)(=O)c1nnc(NC[*:1])s1)-c1ccccc1
Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1nnc(NCC(C)C)s1 CC(C)C[*:1] Cc1oc(nc1CS(=O)(=O)c1nnc(N[*:1])s1)-c1ccccc1
CCC[C@H]1C[C@@H]1NC(=O)CNC(=O)c1cccc(C)c1 CCC[*:1] Cc1cccc(c1)C(=O)NCC(=O)N[C@H]1C[C@@H]1[*:1]
Clc1nc2sccn2c1CN(CCc1ccccc1)[C@@H]1CCOC1 c1ccc(cc1)[*:1] Clc1nc2sccn2c1CN(CC[*:1])[C@@H]1CCOC1
Clc1nc2sccn2c1CN(CCc1ccccc1)[C@@H]1CCOC1 c1ccc(cc1)C[*:1] Clc1nc2sccn2c1CN(C[*:1])[C@@H]1CCOC1
Clc1nc2sccn2c1CN(CCc1ccccc1)[C@@H]1CCOC1 c1ccc(cc1)CC[*:1] Clc1nc2sccn2c1CN([C@@H]1CCOC1)[*:1]
Cc1cccnc1CNC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 C1CCC(CC1)[*:1] Cc1cccnc1CNC(=O)N[C@H]1CCN(C1)C(=O)[*:1]
Cc1cccnc1CNC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 Cc1cccnc1C[*:1] O=C(N[C@H]1CCN(C1)C(=O)C1CCCCC1)N[*:1]
Cc1cccnc1CNC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 Cc1cccnc1[*:1] O=C(NC[*:1])N[C@H]1CCN(C1)C(=O)C1CCCCC1
CCN(C)c1cccc(NC(=O)C(=O)NC[C@H](C)c2ccsc2)c1 CCN(C)[*:1] C[C@@H](CNC(=O)C(=O)Nc1cccc(c1)[*:1])c1ccsc1
CCN(C)c1cccc(NC(=O)C(=O)NC[C@H](C)c2ccsc2)c1 c1cc(cs1)[*:1] CCN(C)c1cccc(c1)NC(=O)C(=O)NC[C@H](C)[*:1]
C[C@H](CC(=O)N1CCN(c2ccccc2O)CC1)Cc1cccc(F)c1 Oc1ccccc1[*:1] C[C@H](CC(=O)N1CCN(CC1)[*:1])Cc1cccc(F)c1
C[C@H](CC(=O)N1CCN(c2ccccc2O)CC1)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] C[C@H](CC(=O)N1CCN(CC1)c1ccccc1O)[*:1]
C[C@H](CC(=O)N1CCN(c2ccccc2O)CC1)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CC(=O)N1CCN(CC1)c1ccccc1O)C[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C1 CCO[*:1] O=C(c1cccc(c1)OC[C@H]1CCCO1)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C1 C1CO[C@H](C1)C[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cccc(c1)O[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C1 C1CO[C@H](C1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cccc(c1)OC[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C1 C1CO[C@H](C1)CO[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C1 CCOC[*:1] O=C(c1cccc(c1)OC[C@H]1CCCO1)N1CCC[C@@H](C1)[*:1]
CCN(Cc1ccccn1)C(=O)CCc1ccccc1N c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)CCc1ccccc1N
CCN(Cc1ccccn1)C(=O)CCc1ccccc1N Nc1ccccc1[*:1] CCN(Cc1ccccn1)C(=O)CC[*:1]
CCN(Cc1ccccn1)C(=O)CCc1ccccc1N c1ccc(C[*:1])nc1 CCN(C(=O)CCc1ccccc1N)[*:1]
CCc1ccc(C[NH+]2CCCn3nc(CNC(=O)N(C)C)cc3C2)cc1 CN(C)C(=O)N[*:1] CCc1ccc(cc1)C[NH+]1CCCn2nc(cc2C1)C[*:1]
CCc1ccc(C[NH+]2CCCn3nc(CNC(=O)N(C)C)cc3C2)cc1 CCc1ccc(cc1)[*:1] CN(C)C(=O)NCc1cc2C[NH+](CCCn2n1)C[*:1]
CCc1ccc(C[NH+]2CCCn3nc(CNC(=O)N(C)C)cc3C2)cc1 CN(C)C(=O)NC[*:1] CCc1ccc(cc1)C[NH+]1CCCn2nc(cc2C1)[*:1]
CC[C@](C)(CO)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CC[C@](C)(CO)[NH2+]CC1CCN(CC1)C(=O)O[*:1]
CC(C)=CC(=O)Nc1ccccc1C(C)C CC(C)[*:1] CC(C)=CC(=O)Nc1ccccc1[*:1]
CC(C)=CC(=O)Nc1ccccc1C(C)C CC(C)=C[*:1] CC(C)c1ccccc1NC(=O)[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 Cn1cnnc1SCC(=O)N[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(cc1)[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 Cn1cnnc1[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(cc1)NC(=O)CS[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 Cn1cnnc1S[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(cc1)NC(=O)C[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 O=c1[nH]c(nc2ccccc12)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)NC(=O)CSc1nncn1C
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 Cn1cnnc1SC[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(cc1)NC(=O)[*:1]
[NH3+][C@H](Cn1nnc2ccccc21)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H](Cn1nnc2ccccc21)[*:1]
CCOC[C@@]1(O)CCC[C@H]1S(C)(=O)=O CCOC[*:1] CS(=O)(=O)[C@@H]1CCC[C@@]1(O)[*:1]
CCOC[C@@]1(O)CCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CCOC[C@@]1(O)CCC[C@@H]1[*:1]
CCOC[C@@]1(O)CCC[C@H]1S(C)(=O)=O CCO[*:1] CS(=O)(=O)[C@@H]1CCC[C@]1(O)C[*:1]
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]32)C1 CC(=O)O[*:1] C[C@]12CC[C@H]3[C@H](CC[C@H]4C[C@@H](CC[C@]43C)[*:1])[C@@H]1CC[C@H]2O
CC[C@H](C)NC(=O)N[C@@H](C)c1c(F)cccc1OC CC[C@H](C)[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N[*:1]
O=C(c1ccc(Cl)cc1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 c1cn(cn1)[*:1] O=C(c1ccc(Cl)cc1)N1CCN(CC1)c1cc(ncn1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 Clc1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1cc(ncn1)-n1ccnc1)[*:1]
CCCNc1cccc(CN(C)CC2CCC2)[nH+]1 CCC[*:1] CN(Cc1cccc(N[*:1])[nH+]1)CC1CCC1
CCCNc1cccc(CN(C)CC2CCC2)[nH+]1 CCCN[*:1] CN(Cc1cccc([nH+]1)[*:1])CC1CCC1
CCCNc1cccc(CN(C)CC2CCC2)[nH+]1 C1CC(C1)C[*:1] CCCNc1cccc(CN(C)[*:1])[nH+]1
CCCNc1cccc(CN(C)CC2CCC2)[nH+]1 C1CC(C1)[*:1] CCCNc1cccc(CN(C)C[*:1])[nH+]1
O=C([O-])c1cn(-c2ncnc3ccccc23)cn1 O=C([O-])[*:1] c1ccc2c(ncnc2c1)-n1cnc(c1)[*:1]
CCOC(=O)[C@H](CC)c1nc(CC(C)C)no1 CC(C)C[*:1] CCOC(=O)[C@H](CC)c1nc(no1)[*:1]
CCOC(=O)[C@H](CC)c1nc(CC(C)C)no1 CCOC(=O)[*:1] CC[C@H](c1nc(CC(C)C)no1)[*:1]
CCOC(=O)[C@H](CC)c1nc(CC(C)C)no1 CC(C)[*:1] CCOC(=O)[C@H](CC)c1nc(C[*:1])no1
c1ccc([C@@H]2OCCC[C@H]2C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 c1ccc(cc1)[*:1] c1cc2NC[C@@H](C[NH2+]C[C@@H]3CCCO[C@H]3[*:1])Cn2n1
Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N(C)CC(=O)NC(C)C)cc1 CC(C)NC(=O)C[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)C(=O)N(C)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N(C)CC(=O)NC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)C(=O)N(C)CC(=O)N[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N(C)CC(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)C(=O)N(C)C[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N(C)CC(=O)NC(C)C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)N(C)CC(=O)NC(C)C)n(n1)[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[NH+](C(C)C)C2 Cc1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2C[NH+](CCc21)C(C)C
CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[NH+](C(C)C)C2 CC(C)[*:1] CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2C[NH+](CCc21)[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[NH+](C(C)C)C2 CCOC(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1sc2C[NH+](CCc2c1[*:1])C(C)C
CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)C(=O)N1c2ncnn2[C@@H](C[C@H]1c1ccccc1)[*:1]
CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccccc1 CC(C)[*:1] O=C(N1c2ncnn2[C@H](C[C@H]1c1ccccc1)c1ccccc1)[*:1]
CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)C(=O)N1c2ncnn2[C@H](C[C@@H]1[*:1])c1ccccc1
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(O[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2nc(C3CC3)no2)cc1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1C[C@@H]1[*:1])c1ccc(cc1)-c1nc(no1)C1CC1
O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2nc(C3CC3)no2)cc1 C1CC1c1noc(n1)[*:1] O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(cc1)[*:1]
O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2nc(C3CC3)no2)cc1 C1CC1[*:1] O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(cc1)-c1nc(no1)[*:1]
CN(Cc1ccc(Cl)nc1)C(=O)Cc1ccc2c(c1)CCCC2 Clc1ccc(cn1)[*:1] CN(C[*:1])C(=O)Cc1ccc2CCCCc2c1
COc1ccc([C@@H](Cc2cc(=O)[nH]c(C3CCC3)n2)NC(=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](Cc1cc(=O)[nH]c(n1)C1CCC1)[*:1])c1ccccc1
COc1ccc([C@@H](Cc2cc(=O)[nH]c(C3CCC3)n2)NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](Cc1cc(=O)[nH]c(n1)C1CCC1)NC(=O)[*:1]
COc1ccc([C@@H](Cc2cc(=O)[nH]c(C3CCC3)n2)NC(=O)c2ccccc2)cc1 C1CC(C1)[*:1] COc1ccc(cc1)[C@@H](Cc1cc(=O)[nH]c(n1)[*:1])NC(=O)c1ccccc1
COc1ccc([C@@H](Cc2cc(=O)[nH]c(C3CCC3)n2)NC(=O)c2ccccc2)cc1 O=C(N[*:1])c1ccccc1 COc1ccc(cc1)[C@@H](Cc1cc(=O)[nH]c(n1)C1CCC1)[*:1]
COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1cccc(OC(F)F)c1 FC(F)[*:1] COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1cccc(c1)O[*:1]
COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1cccc(OC(F)F)c1 FC(F)O[*:1] COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1cccc(c1)[*:1]
Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N[*:1]
Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)Nc1cccc(c1)[*:1]
Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)c1 Cc1cccc(c1)C(=O)N[*:1] C[C@@H](c1nc2ccccc2n1CC(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(CN2CCN([C@H](C)C(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])CN1CCN(CC1)[C@H](C)C(=O)N1CCOCC1
Cc1ccc(CN2CCN([C@H](C)C(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] O=C(N1CCOCC1)[*:1] Cc1ccc(cc1[N+](=O)[O-])CN1CCN(CC1)[C@H](C)[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 Cc1ccccc1[*:1] C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)O[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)C(=O)N[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 Cc1ccccc1O[*:1] C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)[*:1]
O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)NCc2cccs2)C1 c1csc(c1)[*:1] O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C1)C(=O)NC[*:1]
O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)NCc2cccs2)C1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)NCc1cccs1
O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)NCc2cccs2)C1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)NCc1cccs1
O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)NCc2cccs2)C1 c1csc(c1)C[*:1] O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C1)C(=O)N[*:1]
Cc1c(CC(=O)NCCc2ccsc2)c(=O)oc2cc(O)cc(O)c12 c1cc(cs1)[*:1] Cc1c(CC(=O)NCC[*:1])c(=O)oc2cc(O)cc(O)c12
Cc1c(CC(=O)NCCc2ccsc2)c(=O)oc2cc(O)cc(O)c12 c1cc(cs1)C[*:1] Cc1c(CC(=O)NC[*:1])c(=O)oc2cc(O)cc(O)c12
Cc1c(CC(=O)NCCc2ccsc2)c(=O)oc2cc(O)cc(O)c12 c1cc(cs1)CC[*:1] Cc1c(CC(=O)N[*:1])c(=O)oc2cc(O)cc(O)c12
CCOC(=O)N1CCC[C@H](C(=O)NNc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCOC(=O)N1CCC[C@@H](C1)C(=O)NN[*:1]
CCNc1nc([C@H](C)OC)ncc1I CO[C@@H](C)[*:1] CCNc1nc(ncc1I)[*:1]
CCNc1nc([C@H](C)OC)ncc1I CCN[*:1] CO[C@@H](C)c1ncc(I)c(n1)[*:1]
Fc1cccc(CN2CC(c3nc(-c4ncccn4)no3)C2)c1 Fc1cccc(c1)[*:1] c1cnc(nc1)-c1noc(n1)C1CN(C1)C[*:1]
Fc1cccc(CN2CC(c3nc(-c4ncccn4)no3)C2)c1 c1cnc(nc1)[*:1] Fc1cccc(c1)CN1CC(C1)c1nc(no1)[*:1]
CCc1ccc(C2=C(C)C(N3CCC(C(=O)N[C@H](C)CC)CC3)=NS2(=O)=O)cc1 CCc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)C1CCN(CC1)C1=NS(=O)(=O)C(=C1C)[*:1]
CCc1ccc(C2=C(C)C(N3CCC(C(=O)N[C@H](C)CC)CC3)=NS2(=O)=O)cc1 CC[C@@H](C)NC(=O)[*:1] CCc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCC(CC1)[*:1]
CCc1ccc(C2=C(C)C(N3CCC(C(=O)N[C@H](C)CC)CC3)=NS2(=O)=O)cc1 CC[C@@H](C)[*:1] CCc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cnn(C(C)C)c1 C[C@H](O)[*:1] CC(C)N(C[*:1])C(=O)Nc1cnn(c1)C(C)C
CC(C)N(C[C@H](C)O)C(=O)Nc1cnn(C(C)C)c1 C[C@H](O)C[*:1] CC(C)N(C(=O)Nc1cnn(c1)C(C)C)[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cnn(C(C)C)c1 CC(C)[*:1] CC(C)n1cc(cn1)NC(=O)N(C[C@H](C)O)[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cnn(C(C)C)c1 CC(C)[*:1] CC(C)N(C[C@H](C)O)C(=O)Nc1cnn(c1)[*:1]
COCCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2ccccc21 COCC[*:1] C[C@@H](Sc1nc2ccccc2n1[*:1])C(=O)Nc1ccc(F)cc1Cl
COCCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2ccccc21 Fc1ccc(c(Cl)c1)[*:1] COCCn1c(nc2ccccc21)S[C@H](C)C(=O)N[*:1]
COCCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2ccccc21 COC[*:1] C[C@@H](Sc1nc2ccccc2n1C[*:1])C(=O)Nc1ccc(F)cc1Cl
CCC[C@H]1[C@@H](C)CCCN1C(=O)CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H]1[C@@H](C)CCCN1C(=O)CNC(=O)[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)CNC(=O)c1ccccc1 CCC[*:1] C[C@H]1CCCN(C(=O)CNC(=O)c2ccccc2)[C@H]1[*:1]
CCC[C@H]1CCc2nc(NC(=O)c3ccc(C(=O)N(C)C)cc3)sc2C1 CN(C)C(=O)[*:1] CCC[C@H]1CCc2nc(NC(=O)c3ccc(cc3)[*:1])sc2C1
CCC[C@H]1CCc2nc(NC(=O)c3ccc(C(=O)N(C)C)cc3)sc2C1 CCC[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)Nc1nc2CC[C@@H](Cc2s1)[*:1]
COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)c1 c1coc(c1)[*:1] COc1ccc(OC)c(c1)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2[*:1]
COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)c1 COc1ccc(OC)c(c1)[*:1] O=C1C[C@@H](CC2Nc3ccccc3N[C@H](C=21)c1ccco1)[*:1]
COCCCCCC(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 COC[*:1] O=C(CCCC[*:1])N1CC[C@@]2(CCCN(C2=O)C2CCCCC2)C1
COCCCCCC(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 C1CCC(CC1)[*:1] COCCCCCC(=O)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
COCCCCCC(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 COCCC[*:1] O=C(CC[*:1])N1CC[C@@]2(CCCN(C2=O)C2CCCCC2)C1
COCCCCCC(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 COCCCC[*:1] O=C(C[*:1])N1CC[C@@]2(CCCN(C2=O)C2CCCCC2)C1
COCCCCCC(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 COCCCCC[*:1] O=C1N(CCC[C@@]12CCN(C2)C(=O)[*:1])C1CCCCC1
COCCCCCC(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 COCC[*:1] O=C(CCC[*:1])N1CC[C@@]2(CCCN(C2=O)C2CCCCC2)C1
Cc1ccc(C(N)=[NH2+])c(N2C[C@@H](C)[C@@H](C)C2)n1 NC(=[NH2+])[*:1] Cc1ccc(c(n1)N1C[C@@H](C)[C@@H](C)C1)[*:1]
CC(=O)Nc1cccc(NC(=O)COc2ccc(F)c(F)c2)c1 CC(=O)N[*:1] O=C(COc1ccc(F)c(F)c1)Nc1cccc(c1)[*:1]
O=C(/C=N/OCC(=O)Nc1ccc(Cl)cc1)Nc1ccccc1Cl Clc1ccc(cc1)[*:1] O=C(/C=N/OCC(=O)N[*:1])Nc1ccccc1Cl
O=C(/C=N/OCC(=O)Nc1ccc(Cl)cc1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(/C=N/OCC(=O)Nc1ccc(Cl)cc1)N[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C CCc1ccccc1[*:1] Cc1ccc(cc1C(=O)N(C)CC(=O)N[*:1])S(=O)(=O)N1CCCC1
CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C O=S(=O)(N1CCCC1)[*:1] CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(ccc1C)[*:1]
CCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1ccc(F)cc1 CCCC[*:1] O=C(N[*:1])[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1
CCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCCNC(=O)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1ccccc1
CCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1ccc(F)cc1 CCC[*:1] O=C(NC[*:1])[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1
CCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1ccc(F)cc1 c1ccc(cc1)[*:1] CCCCNC(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)[*:1]
CCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1c1ccc(F)cc1 CCCCNC(=O)[*:1] O=C(c1ccccc1)N1C[C@H]([C@@H](C1)c1ccc(F)cc1)[*:1]
COc1ccc(OC)c(/C=N\NC(=S)Nc2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(/C=N\NC(=S)N[*:1])c1
CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccccn1 c1ccc(nc1)[*:1] CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)[*:1]
CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccccn1 c1ccc(cc1)[*:1] CC1(C)C[C@@](C)(c2ccccc2N1C(=O)c1ccccn1)[*:1]
COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CCN(c2cccc(C)c2)CC1 O=S1(=O)CCCCN1[*:1] COc1ccc(cc1S(=O)(=O)N1CCN(CC1)c1cccc(C)c1)[*:1]
COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CCN(c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCN(CC1)[*:1])N1CCCCS1(=O)=O
Cc1cc(C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c(C)o1 FC(F)(F)[*:1] Cc1cc(C(=O)N(C)CC(=O)Nc2ccccc2[*:1])c(C)o1
Cc1cc(C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c(C)o1 Cc1cc(c(C)o1)[*:1] CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[*:1]
Cc1n[nH]c(=O)c2c(NC(=O)CSc3nc4ccccc4c(=O)n3-c3ccccc3F)oc(C)c12 Fc1ccccc1[*:1] Cc1n[nH]c(=O)c2c(NC(=O)CSc3nc4ccccc4c(=O)n3[*:1])oc(C)c12
N#Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2F)[n-]c1C#N FC(F)(F)[*:1] N#Cc1nc([n-]c1C#N)NC(=O)c1cccc(c1F)[*:1]
COCCn1cc(N[C@H](C)C[C@@H]2CCCC[NH2+]2)ccc1=O COC[*:1] C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc(=O)n(c1)C[*:1]
COCCn1cc(N[C@H](C)C[C@@H]2CCCC[NH2+]2)ccc1=O COCC[*:1] C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc(=O)n(c1)[*:1]
O=[S@](Cc1cccc(F)c1)Cc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] O=[S@](Cc1cccc(F)c1)Cc1nccn1C[*:1]
O=[S@](Cc1cccc(F)c1)Cc1nccn1Cc1ccccc1 Fc1cccc(c1)[*:1] O=[S@@](Cc1nccn1Cc1ccccc1)C[*:1]
O=[S@](Cc1cccc(F)c1)Cc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=[S@](Cc1cccc(F)c1)Cc1nccn1[*:1]
Cc1cccc(OCCCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1cccc(c1)OCCC[*:1]
C/C(=C\C(=O)c1c([O-])n(C)c2ccccc2c1=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] C/C(=C\C(=O)c1c([O-])n(C)c2ccccc2c1=O)Nc1ccc(cc1)[*:1]
C/C(=C\C(=O)c1c([O-])n(C)c2ccccc2c1=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])c1ccc(cc1)[*:1] C/C(=C\C(=O)c1c([O-])n(C)c2ccccc2c1=O)N[*:1]
CN(CCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)[*:1]
CN(CCCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@]1(CCS(=O)(=O)C1)NNC(=O)NCCC[*:1]
COc1ccc(C/C([O-])=N/S(=O)(=O)c2cc(Cl)sc2Cl)cc1 Clc1cc(c(Cl)s1)[*:1] COc1ccc(cc1)C/C([O-])=N/S(=O)(=O)[*:1]
COc1cccc(/C=N/n2cnnc2)c1OCc1ccccc1 C(=Nn1cnnc1)[*:1] COc1cccc(c1OCc1ccccc1)[*:1]
COc1cccc(/C=N/n2cnnc2)c1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cccc(/C=N/n2cnnc2)c1OC[*:1]
COc1cccc(/C=N/n2cnnc2)c1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cccc(/C=N/n2cnnc2)c1O[*:1]
C[C@@H]1CCC[C@@]1(Sc1ccccc1Cl)C(=O)[O-] O=C([O-])[*:1] C[C@@H]1CCC[C@]1(Sc1ccccc1Cl)[*:1]
C=CCCN1CCOc2ccc(OC)cc21 C=CC[*:1] COc1ccc2OCCN(C[*:1])c2c1
C=CCCN1CCOc2ccc(OC)cc21 C=CCC[*:1] COc1ccc2OCCN(c2c1)[*:1]
COc1ccc(/C=C/C(=O)Nc2ccc(I)cc2)c(OC)c1OC Ic1ccc(cc1)[*:1] COc1ccc(/C=C/C(=O)N[*:1])c(OC)c1OC
O=C([O-])c1cc(F)c(F)c(O)c1F O=C([O-])[*:1] Oc1c(F)c(F)cc(c1F)[*:1]
O=C(Nc1cccc(CNS(=O)(=O)c2ccccc2)c1)C1CC1 O=C(N[*:1])C1CC1 O=S(=O)(NCc1cccc(c1)[*:1])c1ccccc1
O=C(Nc1cccc(CNS(=O)(=O)c2ccccc2)c1)C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)CNS(=O)(=O)c1ccccc1)[*:1]
O=C(Nc1cccc(CNS(=O)(=O)c2ccccc2)c1)C1CC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)CNS(=O)(=O)[*:1])C1CC1
O=C(CCC1CC1)Oc1ccc(Oc2nccs2)cc1 C1CC1CC[*:1] O=C(Oc1ccc(cc1)Oc1nccs1)[*:1]
O=C(CCC1CC1)Oc1ccc(Oc2nccs2)cc1 c1csc(n1)[*:1] O=C(CCC1CC1)Oc1ccc(cc1)O[*:1]
O=C(CCC1CC1)Oc1ccc(Oc2nccs2)cc1 C1CC1[*:1] O=C(CC[*:1])Oc1ccc(cc1)Oc1nccs1
O=C(CCC1CC1)Oc1ccc(Oc2nccs2)cc1 C1CC1C[*:1] O=C(C[*:1])Oc1ccc(cc1)Oc1nccs1
O=C(CCC1CC1)Oc1ccc(Oc2nccs2)cc1 c1csc(n1)O[*:1] O=C(CCC1CC1)Oc1ccc(cc1)[*:1]
O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1cccc(C(F)(F)F)c1 O=S1(=O)CCCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)C(F)(F)F
O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)N1CCCCS1(=O)=O)c1cccc(c1)[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ncnc3sccc23)c1 N#CCC[*:1] Cc1cc(C)cc(c1)N(C(=O)CSc1ncnc2sccc12)[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ncnc3sccc23)c1 N#CC[*:1] Cc1cc(C)cc(c1)N(C[*:1])C(=O)CSc1ncnc2sccc12
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ncnc3sccc23)c1 Cc1cc(C)cc(c1)[*:1] N#CCCN(C(=O)CSc1ncnc2sccc12)[*:1]
COC(=O)c1ccc(N2CC[NH2+]CC2)c(Br)c1 COC(=O)[*:1] Brc1cc(ccc1N1CC[NH2+]CC1)[*:1]
O=C(CCn1cnc2ccccc21)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(CCn1cnc2ccccc21)Nc1n[nH]c2ccc(cc12)[*:1]
COCCc1noc(C[NH2+][C@@H](C)C(C)(C)C)n1 CC(C)(C)[*:1] COCCc1noc(C[NH2+][C@@H](C)[*:1])n1
COCCc1noc(C[NH2+][C@@H](C)C(C)(C)C)n1 COC[*:1] C[C@H]([NH2+]Cc1nc(C[*:1])no1)C(C)(C)C
COCCc1noc(C[NH2+][C@@H](C)C(C)(C)C)n1 COCC[*:1] C[C@H]([NH2+]Cc1nc(no1)[*:1])C(C)(C)C
Cn1nc(C2CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)n(-c2ccccc2)c1=O FC(F)(F)[*:1] Cn1nc(C2CC[NH+](CC2)CC(=O)Nc2ccc(cc2)[*:1])n(-c2ccccc2)c1=O
Cn1nc(C2CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc(C2CC[NH+](CC2)CC(=O)Nc2ccc(cc2)C(F)(F)F)n(c1=O)[*:1]
Cn1nc(C2CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)n(-c2ccccc2)c1=O FC(F)(F)c1ccc(cc1)[*:1] Cn1nc(C2CC[NH+](CC2)CC(=O)N[*:1])n(-c2ccccc2)c1=O
C=C(Br)CN1CCC[C@@H]1[C@@H]1CCCC1=O C=C(Br)[*:1] O=C1CCC[C@H]1[C@H]1CCCN1C[*:1]
C=C(Br)CN1CCC[C@@H]1[C@@H]1CCCC1=O C=C(Br)C[*:1] O=C1CCC[C@H]1[C@H]1CCCN1[*:1]
CCOc1ccc(NC(=O)c2cccnc2)cc1Cl c1cncc(c1)[*:1] CCOc1ccc(cc1Cl)NC(=O)[*:1]
CCOc1ccc(NC(=O)c2cccnc2)cc1Cl CCO[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1cccnc1
COCC1=C2[C@H](c3cc(OC)ccc3OC)C(C#N)=C(N)O[C@H]2N=N1 COC[*:1] COc1ccc(OC)c(c1)[C@@H]1C(C#N)=C(N)O[C@H]2N=NC(=C12)[*:1]
CC(C)[C@H](O)c1ccn(CCCCC#N)c1 N#CC[*:1] CC(C)[C@H](O)c1ccn(c1)CCC[*:1]
CC(C)[C@H](O)c1ccn(CCCCC#N)c1 N#CCCC[*:1] CC(C)[C@H](O)c1ccn(c1)C[*:1]
CC(C)[C@H](O)c1ccn(CCCCC#N)c1 CC(C)[C@H](O)[*:1] N#CCCCCn1ccc(c1)[*:1]
CC(C)[C@H](O)c1ccn(CCCCC#N)c1 N#CCC[*:1] CC(C)[C@H](O)c1ccn(c1)CC[*:1]
CC(C)[C@H](O)c1ccn(CCCCC#N)c1 CC(C)[*:1] N#CCCCCn1ccc(c1)[C@@H](O)[*:1]
Cc1cc(C(=O)NC[C@@H]2CC[C@H](C(=O)[O-])O2)on1 Cc1cc(on1)[*:1] O=C([O-])[C@H]1CC[C@@H](CNC(=O)[*:1])O1
Cc1cc(C(=O)NC[C@@H]2CC[C@H](C(=O)[O-])O2)on1 O=C([O-])[*:1] Cc1cc(on1)C(=O)NC[C@@H]1CC[C@H](O1)[*:1]
c1cncc(CC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 c1cncc(c1)[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCCC[C@H]1[NH2+]CC[*:1]
Cc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2c2ccccc2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)[C@@H]1[C@H](c2ccccc2C(=O)N1c1ccccc1)[*:1]
Cc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1[C@H](C(=O)[O-])c2ccccc2C(=O)N1[*:1]
Cc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])[C@@H]1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1[*:1]
Cc1ncccc1NC(=O)N1CCC(NC(=O)c2ccsc2)CC1 Cc1ncccc1[*:1] O=C(NC1CCN(CC1)C(=O)N[*:1])c1ccsc1
Cc1ncccc1NC(=O)N1CCC(NC(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] Cc1ncccc1NC(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1ncccc1NC(=O)N1CCC(NC(=O)c2ccsc2)CC1 O=C(N[*:1])c1ccsc1 Cc1ncccc1NC(=O)N1CCC(CC1)[*:1]
CS[C@@H]1CCC[C@@H]1NC(=O)N(C)CCN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CS[C@@H]1CCC[C@@H]1NC(=O)N(C)CCN1CCN(CC1)[*:1]
CCOc1ncccc1C(=O)NC1(c2noc(C)n2)CCCCCC1 Cc1nc(no1)[*:1] CCOc1ncccc1C(=O)NC1(CCCCCC1)[*:1]
CCOc1ncccc1C(=O)NC1(c2noc(C)n2)CCCCCC1 CCO[*:1] Cc1nc(no1)C1(CCCCCC1)NC(=O)c1cccnc1[*:1]
CS(=O)(=O)SCc1ccc2ccc3cccc4ccc1c2c34 CS(=O)(=O)SC[*:1] c1cc2ccc3ccc(c4ccc(c1)c2c34)[*:1]
CS(=O)(=O)SCc1ccc2ccc3cccc4ccc1c2c34 CS(=O)(=O)S[*:1] c1cc2ccc3ccc(C[*:1])c4ccc(c1)c2c34
O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3F)C2)s1 Clc1cccc(c1)[*:1] O=C(N[*:1])c1nnc(s1)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1F
O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3F)C2)s1 Fc1ccc(c(F)c1)[*:1] O=C(Nc1cccc(Cl)c1)c1nnc(s1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3F)C2)s1 O=C(Nc1cccc(Cl)c1)[*:1] O=S(=O)(c1ccc(F)cc1F)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
CCc1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)cc1 O=C([O-])[*:1] CCc1ccc(cc1)NC(=O)c1c(cnn1C)[*:1]
CCCCNC(=O)c1cc(=O)nc2sc(N3CCCCC3)nn12 CCCCNC(=O)[*:1] O=c1cc(n2nc(sc2n1)N1CCCCC1)[*:1]
CCCCNC(=O)c1cc(=O)nc2sc(N3CCCCC3)nn12 CCCC[*:1] O=C(N[*:1])c1cc(=O)nc2sc(nn12)N1CCCCC1
CCCCNC(=O)c1cc(=O)nc2sc(N3CCCCC3)nn12 CCC[*:1] O=C(NC[*:1])c1cc(=O)nc2sc(nn12)N1CCCCC1
CCCCNC(=O)c1cc(=O)nc2sc(N3CCCCC3)nn12 C1CCN(CC1)[*:1] CCCCNC(=O)c1cc(=O)nc2sc(nn12)[*:1]
Cc1occc1-c1nnc(SCC(=O)NCCc2nc3ccccc3[nH]2)o1 c1ccc2[nH]c(nc2c1)[*:1] Cc1occc1-c1nnc(o1)SCC(=O)NCC[*:1]
Cc1occc1-c1nnc(SCC(=O)NCCc2nc3ccccc3[nH]2)o1 Cc1occc1[*:1] O=C(CSc1nnc(o1)[*:1])NCCc1nc2ccccc2[nH]1
C[C@@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)c2ccccc21 c1ccc(cc1)C[*:1] C[C@@H]1CN(C(=O)c2ccc(=O)n(n2)[*:1])c2ccccc21
C[C@@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)c2ccccc21 c1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)c2ccc(=O)n(C[*:1])n2)c2ccccc21
CCS(=O)(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O CCS(=O)(=O)N[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)CC[*:1]
CCS(=O)(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O CCS(=O)(=O)NC[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)C[*:1]
CCSC[C@@H](C)N(C)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 CCS[*:1] C[C@H](NC(=O)N(C)[C@H](C)C[*:1])c1nnnn1-c1ccccc1
CCSC[C@@H](C)N(C)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 CCSC[*:1] C[C@H](NC(=O)N(C)[C@H](C)[*:1])c1nnnn1-c1ccccc1
CCSC[C@@H](C)N(C)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] CCSC[C@@H](C)N(C)C(=O)N[C@@H](C)c1nnnn1[*:1]
COC(=O)c1ccc(N2CCN(Cc3cc(=O)n4nccc4[nH]3)[C@H](C)C2)cc1 COC(=O)[*:1] C[C@@H]1CN(CCN1Cc1cc(=O)n2nccc2[nH]1)c1ccc(cc1)[*:1]
CC[C@@H]1C(=O)NCCN1CC(=O)Nc1cc(C)no1 Cc1cc(on1)[*:1] CC[C@@H]1C(=O)NCCN1CC(=O)N[*:1]
CN(CC(N)=O)C(=O)c1ccc(N(C)c2ccccc2)nc1 c1ccc(cc1)[*:1] CN(CC(N)=O)C(=O)c1ccc(nc1)N(C)[*:1]
CN(CC(N)=O)C(=O)c1ccc(N(C)c2ccccc2)nc1 NC(=O)C[*:1] CN(c1ccccc1)c1ccc(cn1)C(=O)N(C)[*:1]
CN(CC(N)=O)C(=O)c1ccc(N(C)c2ccccc2)nc1 NC(=O)[*:1] CN(C[*:1])C(=O)c1ccc(nc1)N(C)c1ccccc1
O=c1cc(CSc2nnnn2C2CC2)c2c(ccc3ccccc32)o1 C1CC1n1nnnc1[*:1] O=c1cc(CS[*:1])c2c(ccc3ccccc32)o1
O=c1cc(CSc2nnnn2C2CC2)c2c(ccc3ccccc32)o1 C1CC1[*:1] O=c1cc(CSc2nnnn2[*:1])c2c(ccc3ccccc32)o1
C[C@@H]1Oc2ccccc2N(CC(=O)O[C@@H](C)c2ccccc2N(C)C)C1=O CN(C)[*:1] C[C@@H]1Oc2ccccc2N(CC(=O)O[C@@H](C)c2ccccc2[*:1])C1=O
C[C@@H]1Oc2ccccc2N(CC(=O)O[C@@H](C)c2ccccc2N(C)C)C1=O CN(C)c1ccccc1[*:1] C[C@@H]1Oc2ccccc2N(CC(=O)O[C@@H](C)[*:1])C1=O
O[C@H](Cc1nccs1)c1ccc2ncccc2c1 c1csc(C[*:1])n1 O[C@H](c1ccc2ncccc2c1)[*:1]
O[C@H](Cc1nccs1)c1ccc2ncccc2c1 c1csc(n1)[*:1] O[C@H](C[*:1])c1ccc2ncccc2c1
O=C(Nc1ccc(Oc2ccccc2)cc1)c1coc2ccccc2c1=O c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1coc2ccccc2c1=O
O=C(Nc1ccc(Oc2ccccc2)cc1)c1coc2ccccc2c1=O c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1coc2ccccc2c1=O
Clc1ccc(CNC[C@@H](c2ccccc2)N2CCOCC2)o1 Clc1ccc(C[*:1])o1 c1ccc(cc1)[C@H](CN[*:1])N1CCOCC1
Clc1ccc(CNC[C@@H](c2ccccc2)N2CCOCC2)o1 c1ccc(cc1)[*:1] Clc1ccc(CNC[C@@H](N2CCOCC2)[*:1])o1
Clc1ccc(CNC[C@@H](c2ccccc2)N2CCOCC2)o1 Clc1ccc(o1)[*:1] c1ccc(cc1)[C@H](CNC[*:1])N1CCOCC1
Clc1ccc(CNC[C@@H](c2ccccc2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Clc1ccc(CNC[C@@H](c2ccccc2)[*:1])o1
CC(C)[C@H](C(=O)N1CC[C@H](C)[C@@H](O)C1)N1CCCC1=O O=C1CCCN1[*:1] CC(C)[C@H](C(=O)N1CC[C@H](C)[C@@H](O)C1)[*:1]
CC(C)[C@H](C(=O)N1CC[C@H](C)[C@@H](O)C1)N1CCCC1=O CC(C)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)[C@H](N1CCCC1=O)[*:1]
C[NH2+][C@H](Cc1cccc(Cl)c1)[C@]1([NH+](C)C)CCC[C@@H](C)C1 Clc1cccc(c1)[*:1] C[NH2+][C@H](C[*:1])[C@@]1(CCC[C@@H](C)C1)[NH+](C)C
COc1cc(C)cc(CNC(=O)NCc2ncn(C)n2)c1 Cn1cnc(n1)[*:1] COc1cc(C)cc(c1)CNC(=O)NC[*:1]
COc1cc(C)cc(CNC(=O)NCc2ncn(C)n2)c1 Cn1cnc(C[*:1])n1 COc1cc(C)cc(c1)CNC(=O)N[*:1]
C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)c1cccnc1 c1cncc(c1)[*:1] C[C@H](C(=O)Nc1cc(sc1C#N)C(C)(C)C)[*:1]
C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1C#N)c1cccnc1 CC(C)(C)[*:1] C[C@H](C(=O)Nc1cc(sc1C#N)[*:1])c1cccnc1
Cc1ccccc1OCCCNC(=O)N1C[C@H](C)O[C@@H](C)C1 Cc1ccccc1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)NCCCO[*:1]
CCN(Cc1ccccn1)C(=O)NC(=O)CCCC(=O)[O-] O=C([O-])C[*:1] CCN(Cc1ccccn1)C(=O)NC(=O)CC[*:1]
CCN(Cc1ccccn1)C(=O)NC(=O)CCCC(=O)[O-] O=C([O-])CCC[*:1] CCN(Cc1ccccn1)C(=O)NC(=O)[*:1]
CCN(Cc1ccccn1)C(=O)NC(=O)CCCC(=O)[O-] O=C([O-])[*:1] CCN(Cc1ccccn1)C(=O)NC(=O)CCC[*:1]
CCN(Cc1ccccn1)C(=O)NC(=O)CCCC(=O)[O-] O=C([O-])CC[*:1] CCN(Cc1ccccn1)C(=O)NC(=O)C[*:1]
CCN(Cc1ccccn1)C(=O)NC(=O)CCCC(=O)[O-] c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)NC(=O)CCCC(=O)[O-]
CCN(Cc1ccccn1)C(=O)NC(=O)CCCC(=O)[O-] c1ccc(C[*:1])nc1 CCN(C(=O)NC(=O)CCCC(=O)[O-])[*:1]
Cc1cccc(OCc2nn3c(COc4ccc(F)cc4)nnc3s2)c1 Fc1ccc(cc1)O[*:1] Cc1cccc(c1)OCc1nn2c(C[*:1])nnc2s1
Cc1cccc(OCc2nn3c(COc4ccc(F)cc4)nnc3s2)c1 Cc1cccc(c1)O[*:1] Fc1ccc(cc1)OCc1nnc2sc(C[*:1])nn12
Cc1cccc(OCc2nn3c(COc4ccc(F)cc4)nnc3s2)c1 Cc1cccc(c1)[*:1] Fc1ccc(cc1)OCc1nnc2sc(CO[*:1])nn12
Cc1cccc(OCc2nn3c(COc4ccc(F)cc4)nnc3s2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)OCc1nn2c(CO[*:1])nnc2s1
Cc1nc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cs1 Cc1nc(cs1)[*:1] N#C[C@H](C(=O)[*:1])c1nc2ccccc2o1
O=C(NC(C1CC1)C1CC1)C1(c2ccc(Br)cc2)CC1 C1CC1[*:1] O=C(NC(C1CC1)[*:1])C1(CC1)c1ccc(Br)cc1
CS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2Cl)cc1 CS(=O)(=O)[*:1] Clc1ccccc1C[NH2+]Cc1ccc(cc1)[*:1]
O=C(c1cc2c(s1)CCCCC2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 c1c(sc2CCCCCc12)[*:1] O=C([C@H]1COc2ccccc2O1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(CN(C)C(=O)C(C)(C)C)cc(C)c1OCC(F)(F)F FC(F)(F)[*:1] Cc1cc(cc(C)c1OC[*:1])CN(C)C(=O)C(C)(C)C
Cc1cc(CN(C)C(=O)C(C)(C)C)cc(C)c1OCC(F)(F)F FC(F)(F)C[*:1] Cc1cc(cc(C)c1O[*:1])CN(C)C(=O)C(C)(C)C
Cc1cc(CN(C)C(=O)C(C)(C)C)cc(C)c1OCC(F)(F)F CC(C)(C)[*:1] Cc1cc(cc(C)c1OCC(F)(F)F)CN(C)C(=O)[*:1]
Cc1cc(CN(C)C(=O)C(C)(C)C)cc(C)c1OCC(F)(F)F FC(F)(F)CO[*:1] Cc1cc(cc(C)c1[*:1])CN(C)C(=O)C(C)(C)C
C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H](NC(=O)c1ccc2NC(=O)COc2c1)[*:1]
CN(c1cc(Cl)nc(N)n1)[C@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] CN(c1cc(Cl)nc(N)n1)[C@H]1CCN(C1=O)[*:1]
CC(C)([NH3+])[C@]1(CCO)CSCCC1(C)C OCC[*:1] CC(C)([NH3+])[C@@]1(CSCCC1(C)C)[*:1]
CC(C)([NH3+])[C@]1(CCO)CSCCC1(C)C CC(C)([NH3+])[*:1] CC1(C)CCSC[C@]1(CCO)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)NCCc2ccc(C)nc2)cc1 CC(C)=C[*:1] Cc1ccc(cn1)CCNC(=O)c1ccc(cc1)CNC(=O)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)NCCc2ccc(C)nc2)cc1 Cc1ccc(cn1)C[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)NC[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)NCCc2ccc(C)nc2)cc1 Cc1ccc(cn1)[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)NCC[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)NCCc2ccc(C)nc2)cc1 CC(C)=CC(=O)N[*:1] Cc1ccc(cn1)CCNC(=O)c1ccc(cc1)C[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)NCCc2ccc(C)nc2)cc1 CC(C)=CC(=O)NC[*:1] Cc1ccc(cn1)CCNC(=O)c1ccc(cc1)[*:1]
CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 CCC[*:1] C[C@@H](Sc1nc(cc(=O)[nH]1)[*:1])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1
CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 O=S1(=O)CC[C@H](C1)[*:1] CCCc1cc(=O)[nH]c(n1)S[C@H](C)C(=O)N(C)[*:1]
Cc1ccccc1COC1CN(C(=O)C2CCN(C(=O)C3CC3)CC2)C1 Cc1ccccc1C[*:1] O=C(C1CC1)N1CCC(CC1)C(=O)N1CC(C1)O[*:1]
Cc1ccccc1COC1CN(C(=O)C2CCN(C(=O)C3CC3)CC2)C1 C1CC1[*:1] Cc1ccccc1COC1CN(C1)C(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccccc1COC1CN(C(=O)C2CCN(C(=O)C3CC3)CC2)C1 Cc1ccccc1[*:1] O=C(C1CC1)N1CCC(CC1)C(=O)N1CC(C1)OC[*:1]
COc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1OC Clc1cccc(c1Cl)[*:1] COc1ccc(cc1OC)C(=O)NC1CC[NH+](CC1)CC(=O)N[*:1]
COc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)[*:1])Nc1cccc(Cl)c1Cl
C[C@H](NC(=O)NC[C@](C)(O)CN1CCOCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)NC[C@](C)(O)CN1CCOCC1)[*:1]
C[C@H](NC(=O)NC[C@](C)(O)CN1CCOCC1)c1ccc(Cl)cc1 C1CN(CCO1)C[*:1] C[C@H](NC(=O)NC[C@](C)(O)[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)NC[C@](C)(O)CN1CCOCC1)c1ccc(Cl)cc1 C1CN(CCO1)[*:1] C[C@H](NC(=O)NC[C@](C)(O)C[*:1])c1ccc(Cl)cc1
O=S(=O)(CC#Cc1ccccc1)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=S(=O)(CC#C[*:1])c1ccc2ccccc2c1
COC(=O)C[C@H](C)[NH2+][C@H](CO)C(C)C CC(C)[*:1] COC(=O)C[C@H](C)[NH2+][C@H](CO)[*:1]
COC(=O)C[C@H](C)[NH2+][C@H](CO)C(C)C COC(=O)[*:1] CC(C)[C@@H](CO)[NH2+][C@@H](C)C[*:1]
Cc1ccccc1-n1ncc2c(N3CCC(C(N)=O)CC3)ncnc21 NC(=O)[*:1] Cc1ccccc1-n1ncc2c(ncnc21)N1CCC(CC1)[*:1]
Cc1ccccc1-n1ncc2c(N3CCC(C(N)=O)CC3)ncnc21 Cc1ccccc1[*:1] NC(=O)C1CCN(CC1)c1ncnc2c1cnn2[*:1]
CCC(=O)N[C@H]1CCCN(C(=O)NCc2sc(-c3ccccc3)nc2C)C1 c1ccc(cc1)[*:1] CCC(=O)N[C@H]1CCCN(C1)C(=O)NCc1sc(nc1C)[*:1]
CCC(=O)N[C@H]1CCCN(C(=O)NCc2sc(-c3ccccc3)nc2C)C1 CCC(=O)N[*:1] Cc1nc(sc1CNC(=O)N1CCC[C@@H](C1)[*:1])-c1ccccc1
O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(CC1)[*:1]
O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2ccc(Cl)cc2)CC1 O=[N+]([O-])[*:1] Clc1ccc(cc1)N1CC[NH+](C/C=C/c2ccccc2[*:1])CC1
COc1ccc(S(=O)(=O)N(C)CCC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)CC[*:1]
COc1ccc(S(=O)(=O)N(C)CCC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)S(=O)(=O)N(C)C[*:1]
COc1ccc(S(=O)(=O)N(C)CCC(C)C)cc1 CC(C)CC[*:1] COc1ccc(cc1)S(=O)(=O)N(C)[*:1]
Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2C(=O)C[NH+]2CCCCC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1nn(cc1[C@@H]1CC(=NN1C(=O)C[NH+]1CCCCC1)c1ccco1)[*:1]
Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2C(=O)C[NH+]2CCCCC2)c1 c1coc(c1)[*:1] Cc1cccc(c1)-c1nn(cc1[C@@H]1CC(=NN1C(=O)C[NH+]1CCCCC1)[*:1])-c1ccccc1
Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2C(=O)C[NH+]2CCCCC2)c1 Cc1cccc(c1)[*:1] O=C(C[NH+]1CCCCC1)N1N=C(C[C@H]1c1cn(nc1[*:1])-c1ccccc1)c1ccco1
CN(C[C@H]1N=NC2=C1CCCC2)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 c1cc(co1)[*:1] CN(C[C@H]1N=NC2CCCCC=21)C(=O)C[C@@H]1C(=O)NCCN1C[*:1]
CN(C[C@H]1N=NC2=C1CCCC2)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccoc1 c1cc(co1)C[*:1] CN(C[C@H]1N=NC2CCCCC=21)C(=O)C[C@@H]1C(=O)NCCN1[*:1]
Cc1cc(=O)c(OCC(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)co1 c1ccc(cc1)C[*:1] Cc1cc(=O)c(co1)OCC(=O)Nc1ccc2nc(C[*:1])[nH]c2c1
Cc1cc(=O)c(OCC(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)co1 Cc1cc(=O)c(co1)OC[*:1] O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)[*:1]
Cc1cc(=O)c(OCC(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)co1 c1ccc(cc1)[*:1] Cc1cc(=O)c(co1)OCC(=O)Nc1ccc2nc(CC[*:1])[nH]c2c1
Cc1cc(=O)c(OCC(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)co1 c1ccc(cc1)CC[*:1] Cc1cc(=O)c(co1)OCC(=O)Nc1ccc2nc([nH]c2c1)[*:1]
Cc1cc(=O)c(OCC(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)co1 Cc1cc(=O)c(co1)O[*:1] O=C(C[*:1])Nc1ccc2nc(CCc3ccccc3)[nH]c2c1
Cc1cc(=O)c(OCC(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)co1 Cc1cc(=O)c(co1)[*:1] O=C(CO[*:1])Nc1ccc2nc(CCc3ccccc3)[nH]c2c1
C[NH+]1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] C[NH+]1CCC(CC1)NC(=O)CNC(=O)c1cccc(c1)[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[C@H]1c1ccccc1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1Br)[*:1])[C@@H]1C[C@H]1c1ccccc1
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1Br)[N+](=O)[O-])[C@@H]1C[C@@H]1[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)NCCc1cc(F)cc2c1OCOC2 Clc1cccc(c1)[*:1] CCN(C[*:1])C(=O)NCCc1cc(F)cc2COCOc12
CCN(Cc1cccc(Cl)c1)C(=O)NCCc1cc(F)cc2c1OCOC2 Clc1cccc(c1)C[*:1] CCN(C(=O)NCCc1cc(F)cc2COCOc12)[*:1]
CS[C@H]1CC[C@H](NC(=O)CCCC(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)CCCC(=O)[*:1]
CSc1ccc(CC(=O)N(Cc2cccnc2)c2nc3ccccc3s2)cc1 CSc1ccc(cc1)[*:1] O=C(C[*:1])N(Cc1cccnc1)c1nc2ccccc2s1
CSc1ccc(CC(=O)N(Cc2cccnc2)c2nc3ccccc3s2)cc1 CSc1ccc(cc1)C[*:1] O=C(N(Cc1cccnc1)c1nc2ccccc2s1)[*:1]
CSc1ccc(CC(=O)N(Cc2cccnc2)c2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] CSc1ccc(cc1)CC(=O)N(Cc1cccnc1)[*:1]
CSc1ccc(CC(=O)N(Cc2cccnc2)c2nc3ccccc3s2)cc1 c1cncc(c1)C[*:1] CSc1ccc(cc1)CC(=O)N(c1nc2ccccc2s1)[*:1]
CSc1ccc(CC(=O)N(Cc2cccnc2)c2nc3ccccc3s2)cc1 c1cncc(c1)[*:1] CSc1ccc(cc1)CC(=O)N(C[*:1])c1nc2ccccc2s1
NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 NC(=O)[*:1] Brc1ccc(cc1)-c1cc(c2ccccc2n1)[*:1]
C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(c1)O[*:1]
C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(c1)[*:1]
C/C(=C\CC[NH2+]C1CC1)[C@H]1CCC[C@@H](C)C1 C1CC1[*:1] C/C(=C\CC[NH2+][*:1])[C@H]1CCC[C@@H](C)C1
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1cccc(c1)NC(=O)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1cccc(NC(=O)C2CC2)c1 N#Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Oc1cccc(c1)NC(=O)C1CC1
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1cccc(c1)[*:1]
O=C(NCCCc1ccccc1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C(F)(F)F
O=C(NCCCc1ccccc1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 FC(F)(F)[*:1] O=C(NCCCc1ccccc1)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
O=C(NCCCc1ccccc1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 c1ccc(cc1)CC[*:1] O=C(NC[*:1])N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C(F)(F)F
O=C(NCCCc1ccccc1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 FC(F)(F)c1nc(no1)[*:1] O=C(NCCCc1ccccc1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
O=C(NCCCc1ccccc1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 c1ccc(cc1)CCC[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C(F)(F)F
O=C(NCCCc1ccccc1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C(F)(F)F
CC(C)[C@H](O)CCNC(=O)N[C@@H](c1nnc2ccccn12)C(C)C CC(C)[*:1] CC(C)[C@@H](NC(=O)NCC[C@@H](O)[*:1])c1nnc2ccccn12
CC(C)[C@H](O)CCNC(=O)N[C@@H](c1nnc2ccccn12)C(C)C CC(C)[C@H](O)CC[*:1] CC(C)[C@@H](NC(=O)N[*:1])c1nnc2ccccn12
CC(C)[C@H](O)CCNC(=O)N[C@@H](c1nnc2ccccn12)C(C)C CC(C)[C@H](O)[*:1] CC(C)[C@@H](NC(=O)NCC[*:1])c1nnc2ccccn12
CC(C)[C@H](O)CCNC(=O)N[C@@H](c1nnc2ccccn12)C(C)C CC(C)[C@H](O)C[*:1] CC(C)[C@@H](NC(=O)NC[*:1])c1nnc2ccccn12
CC(C)[C@H](O)CCNC(=O)N[C@@H](c1nnc2ccccn12)C(C)C CC(C)[*:1] CC(C)[C@H](O)CCNC(=O)N[C@@H](c1nnc2ccccn12)[*:1]
Cc1nc(SCC[NH2+]C[C@H]2C=NN=C2c2ccc(C)c(C)c2)n[nH]1 Cc1nc(n[nH]1)S[*:1] Cc1ccc(cc1C)C1=NN=C[C@@H]1C[NH2+]CC[*:1]
Cc1nc(SCC[NH2+]C[C@H]2C=NN=C2c2ccc(C)c(C)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cc1ccc(cc1C)C1=NN=C[C@@H]1C[NH2+]CCS[*:1]
Cc1nc(SCC[NH2+]C[C@H]2C=NN=C2c2ccc(C)c(C)c2)n[nH]1 Cc1nc(n[nH]1)SC[*:1] Cc1ccc(cc1C)C1=NN=C[C@@H]1C[NH2+]C[*:1]
Cc1nc(SCC[NH2+]C[C@H]2C=NN=C2c2ccc(C)c(C)c2)n[nH]1 Cc1ccc(cc1C)[*:1] Cc1nc(n[nH]1)SCC[NH2+]C[C@H]1C=NN=C1[*:1]
O=C(CCc1cnn(-c2ccccc2)c1)N1CCc2ccc(O)cc2C1 c1ccc(cc1)[*:1] O=C(CCc1cnn(c1)[*:1])N1CCc2ccc(O)cc2C1
CC[C@H](O)c1ccn(Cc2nccn2C)c1 CC[C@H](O)[*:1] Cn1ccnc1Cn1ccc(c1)[*:1]
CCOC(=O)c1nn(CC)c2c1C[NH2+]CC2 CCOC(=O)[*:1] CCn1nc(c2C[NH2+]CCc21)[*:1]
CC(C)OCc1cccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)c1 CC(C)[*:1] O=S(=O)(NCc1cccc(c1)CO[*:1])c1ccc(F)c(F)c1F
CC(C)OCc1cccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)c1 CC(C)OC[*:1] O=S(=O)(NCc1cccc(c1)[*:1])c1ccc(F)c(F)c1F
CC(C)OCc1cccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)c1 CC(C)O[*:1] O=S(=O)(NCc1cccc(c1)C[*:1])c1ccc(F)c(F)c1F
C[C@@H](C[NH2+]Cc1ncc(-c2ccccc2)s1)N1CCOC[C@H]1C C[C@@H]1COCCN1[*:1] C[C@@H](C[NH2+]Cc1ncc(s1)-c1ccccc1)[*:1]
C[C@@H](C[NH2+]Cc1ncc(-c2ccccc2)s1)N1CCOC[C@H]1C c1ccc(cc1)[*:1] C[C@@H](C[NH2+]Cc1ncc(s1)[*:1])N1CCOC[C@H]1C
CC[C@@H](NC(=O)c1ccc2c([O-])[nH]c(=S)nc2c1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)c1ccc2c([O-])[nH]c(=S)nc2c1)[*:1]
CC(C)[NH2+]C[C@@H]1CCO[C@H]1c1ccc2ccccc2n1 CC(C)[*:1] c1ccc2nc(ccc2c1)[C@@H]1OCC[C@H]1C[NH2+][*:1]
CCS[C@@H]1CC[C@H](NC(=O)c2c[nH]c3nccc(Cl)c23)C1 CCS[*:1] O=C(N[C@H]1CC[C@H](C1)[*:1])c1c[nH]c2nccc(Cl)c12
C[C@@H]1CN(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)C[C@@H](C)O1 C1CC1[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
C[C@@H]1CN(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1nnc(C2CC2)n1[*:1]
CCOc1ccc(CNC(=O)c2cnc3sc(N4CCC(C)CC4)nn3c2=O)cc1OC CC1CCN(CC1)[*:1] CCOc1ccc(cc1OC)CNC(=O)c1cnc2sc(nn2c1=O)[*:1]
CCOc1ccc(CNC(=O)c2cnc3sc(N4CCC(C)CC4)nn3c2=O)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CNC(=O)c1cnc2sc(nn2c1=O)N1CCC(C)CC1
CCSC[C@@H](C)N(C)C(=O)NCc1ccc(C)cc1N(C)C CCSC[*:1] Cc1ccc(CNC(=O)N(C)[C@H](C)[*:1])c(c1)N(C)C
CCSC[C@@H](C)N(C)C(=O)NCc1ccc(C)cc1N(C)C CCS[*:1] Cc1ccc(CNC(=O)N(C)[C@H](C)C[*:1])c(c1)N(C)C
CCSC[C@@H](C)N(C)C(=O)NCc1ccc(C)cc1N(C)C CN(C)[*:1] CCSC[C@@H](C)N(C)C(=O)NCc1ccc(C)cc1[*:1]
COc1ccccc1/C=C/C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] COc1ccccc1/C=C/C(=O)N1C[C@H](O)C[C@H]1[*:1]
COc1ccccc1/C=C/C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F COc1ccccc1[*:1] O=C(C=C[*:1])N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F
COC(=O)[C@H](C)[C@@H](C)NCc1ccccc1C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@H](C)[C@@H](C)NCc1ccccc1[*:1]
COC(=O)[C@H](C)[C@@H](C)NCc1ccccc1C(F)(F)F COC(=O)[*:1] C[C@@H](NCc1ccccc1C(F)(F)F)[C@@H](C)[*:1]
COC(=O)[C@H](C)[C@@H](C)NCc1ccccc1C(F)(F)F COC(=O)[C@H](C)[*:1] C[C@@H](NCc1ccccc1C(F)(F)F)[*:1]
CC1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1 CC1CCN(CC1)[*:1] Brc1cccc(c1)CN1CCc2nc(ncc2C1)[*:1]
CC1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1 Brc1cccc(c1)[*:1] CC1CCN(CC1)c1ncc2CN(CCc2n1)C[*:1]
CC1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1 Brc1cccc(c1)C[*:1] CC1CCN(CC1)c1ncc2CN(CCc2n1)[*:1]
COc1ccccc1CNC(=O)c1ccc(COc2ccc(F)cc2F)o1 Fc1ccc(O[*:1])c(F)c1 COc1ccccc1CNC(=O)c1ccc(C[*:1])o1
COc1ccccc1CNC(=O)c1ccc(COc2ccc(F)cc2F)o1 Fc1ccc(c(F)c1)[*:1] COc1ccccc1CNC(=O)c1ccc(CO[*:1])o1
COc1ccccc1CNC(=O)c1ccc(COc2ccc(F)cc2F)o1 COc1ccccc1[*:1] O=C(NC[*:1])c1ccc(COc2ccc(F)cc2F)o1
COc1ccccc1CNC(=O)c1ccc(COc2ccc(F)cc2F)o1 COc1ccccc1C[*:1] O=C(N[*:1])c1ccc(COc2ccc(F)cc2F)o1
CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@@H](C)S1)c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@@H](C)S1)[*:1]
CC(C)NC(=O)C1CC[NH+](C2CCC(C(C)C)CC2)CC1 CC(C)[*:1] CC(C)NC(=O)C1CC[NH+](CC1)C1CCC(CC1)[*:1]
CC(C)NC(=O)C1CC[NH+](C2CCC(C(C)C)CC2)CC1 CC(C)NC(=O)[*:1] CC(C)C1CCC(CC1)[NH+]1CCC(CC1)[*:1]
CC(C)NC(=O)C1CC[NH+](C2CCC(C(C)C)CC2)CC1 CC(C)[*:1] CC(C)C1CCC(CC1)[NH+]1CCC(CC1)C(=O)N[*:1]
O=c1cc(C(F)(F)F)nc(N2CCC(Cc3ccccc3)CC2)[nH]1 c1ccc(cc1)[*:1] O=c1cc(nc([nH]1)N1CCC(CC1)C[*:1])C(F)(F)F
O=c1cc(C(F)(F)F)nc(N2CCC(Cc3ccccc3)CC2)[nH]1 c1ccc(cc1)C[*:1] O=c1cc(nc([nH]1)N1CCC(CC1)[*:1])C(F)(F)F
O=c1cc(C(F)(F)F)nc(N2CCC(Cc3ccccc3)CC2)[nH]1 FC(F)(F)[*:1] O=c1cc(nc([nH]1)N1CCC(CC1)Cc1ccccc1)[*:1]
O=C(CSc1nnnn1C1CC1)NCC1CCCCCCC1 C1CC1[*:1] O=C(CSc1nnnn1[*:1])NCC1CCCCCCC1
CCCSCC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 CCCS[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CN1CCN(CC1)C(=O)C[*:1]
CCCSCC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 CCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CN1CCN(CC1)C(=O)CS[*:1]
CCCSCC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 CCCSC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CN1CCN(CC1)C(=O)[*:1]
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCn1ccccc1=O O=c1ccccn1[*:1] CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CC[*:1]
O=C1SCCN1CN1CCN(c2ncccc2F)CC1 O=C1SCCN1[*:1] Fc1cccnc1N1CCN(CC1)C[*:1]
C[C@](CO)(Nc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl)C1CC1 Fc1ccc(c(F)c1)[*:1] C[C@](CO)(Nc1cnn(c(=O)c1Cl)[*:1])C1CC1
C[C@](CO)(Nc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl)C1CC1 C1CC1[*:1] C[C@](CO)(Nc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl)[*:1]
OCC[NH+](Cc1cccnc1)Cc1ncn(-c2ccccc2)n1 c1cncc(c1)[*:1] OCC[NH+](Cc1ncn(n1)-c1ccccc1)C[*:1]
OCC[NH+](Cc1cccnc1)Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] OCC[NH+](Cc1cccnc1)Cc1ncn(n1)[*:1]
OCC[NH+](Cc1cccnc1)Cc1ncn(-c2ccccc2)n1 c1cncc(c1)C[*:1] OCC[NH+](Cc1ncn(n1)-c1ccccc1)[*:1]
C[C@@H]1CN(CC(C)(C)C(=O)[O-])CC[C@@H]1[NH3+] O=C([O-])[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])CC(C)(C)[*:1]
C[C@@H](CNC(=O)C(=O)Nc1ccc(CC#N)cc1)Oc1ccc(F)cc1 N#CC[*:1] C[C@@H](CNC(=O)C(=O)Nc1ccc(cc1)[*:1])Oc1ccc(F)cc1
C[C@@H](CNC(=O)C(=O)Nc1ccc(CC#N)cc1)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C[C@@H](CNC(=O)C(=O)Nc1ccc(cc1)CC#N)[*:1]
C[C@@H](CNC(=O)C(=O)Nc1ccc(CC#N)cc1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)C(=O)Nc1ccc(cc1)CC#N)O[*:1]
CCN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc2ccccc12 FC(F)(F)C[*:1] CCN(C(=O)[C@@H]1CC(=O)N(C1)[*:1])c1cccc2ccccc12
CCN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc2ccccc12 FC(F)(F)[*:1] CCN(C(=O)[C@@H]1CC(=O)N(C1)C[*:1])c1cccc2ccccc12
CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)NC(C)C)cc2)CC1=O CC(C)[*:1] CCCCN1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)NC(C)C)cc2)CC1=O CC(C)NC(=O)[*:1] CCCCN1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)NC(C)C)cc2)CC1=O CCC[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)NC(C)C)cc2)CC1=O CCCC[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CN(c3ccccc3)c3nc4ccccc4nc32)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CN(c2nc3ccccc3nc21)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CN(c3ccccc3)c3nc4ccccc4nc32)cc1 CC(=O)N[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CN(c2ccccc2)c2nc3ccccc3nc21
CC(=O)Nc1ccc(S(=O)(=O)N2CN(c3ccccc3)c3nc4ccccc4nc32)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=S(=O)(N1CN(c2ccccc2)c2nc3ccccc3nc21)[*:1]
Cc1cc(C)nc(NC(=O)c2csc(C)c2-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)NC(=O)c1csc(C)c1[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4cc5c(cc4s3)OCCO5)C2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc2cc3OCCOc3cc2s1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
N#Cc1c(CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)n[nH]c1N O=C(N[*:1])c1cccs1 N#Cc1c(CCCNC(=O)c2cccc(c2)[*:1])n[nH]c1N
N#Cc1c(CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)n[nH]c1N c1csc(c1)[*:1] N#Cc1c(CCCNC(=O)c2cccc(c2)NC(=O)[*:1])n[nH]c1N
O=C(Nc1ccccn1)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)c1 c1ccc(nc1)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1
O=C(Nc1ccccn1)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)c1 c1ccc2sc(nc2c1)[*:1] O=C(Nc1ccccn1)c1cccc(c1)NC(=O)[C@H]1CC=CC[C@@H]1[*:1]
O=C(Nc1ccccn1)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)c1 O=C(Nc1ccccn1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CC=CC[C@H]1c1nc2ccccc2s1
CCCN[C@@]1(C#N)CCC[C@H](OC2CCC2)C1 CCC[*:1] N#C[C@@]1(CCC[C@@H](C1)OC1CCC1)N[*:1]
CCCN[C@@]1(C#N)CCC[C@H](OC2CCC2)C1 C1CC(C1)O[*:1] CCCN[C@@]1(C#N)CCC[C@H](C1)[*:1]
CCCN[C@@]1(C#N)CCC[C@H](OC2CCC2)C1 CCCN[*:1] N#C[C@]1(CCC[C@@H](C1)OC1CCC1)[*:1]
CCCN[C@@]1(C#N)CCC[C@H](OC2CCC2)C1 C1CC(C1)[*:1] CCCN[C@@]1(C#N)CCC[C@@H](C1)O[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 CC(=O)N[*:1] O=C([C@@H](Cc1c[nH]c2ccccc12)[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(CC1)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 c1ccc2c(c[nH]c2c1)C[*:1] CC(=O)N[C@H](C(=O)N1CCN(CC1)Cc1ccc(Cl)cc1)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(CC1)C[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)N1CCN(CC1)Cc1ccc(Cl)cc1
Cc1nnc(SCC[C@@H]2CCC[C@]2(CO)[NH2+]C2CC2)n1C Cc1nnc(n1C)[*:1] OC[C@@]1(CCC[C@H]1CCS[*:1])[NH2+]C1CC1
Cc1nnc(SCC[C@@H]2CCC[C@]2(CO)[NH2+]C2CC2)n1C C1CC1[*:1] Cc1nnc(SCC[C@@H]2CCC[C@]2(CO)[NH2+][*:1])n1C
O=C(C[C@@H]1CCCO1)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 O=C(C[C@@H]1CCCO1)N[*:1] O=C1Cc2ccc(Cl)cc2N1Cc1ccc(cc1)[*:1]
C[C@@H](C#N)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 C[C@@H](C#N)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
Cc1cncc(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 Cc1cncc(c1)[*:1] O=C(NC[C@H]1CCCN(C1)C(=O)[*:1])Nc1cccc(F)c1
Cc1cncc(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 Fc1cccc(c1)[*:1] Cc1cncc(c1)C(=O)N1CCC[C@H](CNC(=O)N[*:1])C1
NC(=O)c1ccc(CSCC(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] NC(=O)c1ccc(cc1)CSCC(=O)N[*:1]
NC(=O)c1ccc(CSCC(=O)NC[C@@H]2CCCO2)cc1 NC(=O)[*:1] O=C(CSCc1ccc(cc1)[*:1])NC[C@@H]1CCCO1
NC(=O)c1ccc(CSCC(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] NC(=O)c1ccc(cc1)CSCC(=O)NC[*:1]
C=CCO[C@@H](C)C(=O)Nc1cncc2ccccc12 C=CC[*:1] C[C@H](O[*:1])C(=O)Nc1cncc2ccccc12
C=CCO[C@@H](C)C(=O)Nc1cncc2ccccc12 C=CCO[C@@H](C)[*:1] O=C(Nc1cncc2ccccc12)[*:1]
C=CCO[C@@H](C)C(=O)Nc1cncc2ccccc12 C=CCO[*:1] C[C@@H](C(=O)Nc1cncc2ccccc12)[*:1]
C[C@H](NC(=O)c1csc(C#CCN)c1)C1CCCCC1 NCC#C[*:1] C[C@H](NC(=O)c1csc(c1)[*:1])C1CCCCC1
C[C@H](NC(=O)c1csc(C#CCN)c1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)c1csc(C#CCN)c1)[*:1]
Cc1cccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 Cc1cccc(c1)[*:1] Cc1nc(cc(n1)N1CCOCC1)NCCNC(=O)N[*:1]
Cc1cccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)NC(=O)NCCNc1cc(nc(C)n1)[*:1]
CC(=O)[C@@H]1[C@@H](c2ccccc2F)c2c(n[nH]c2C)C[C@@]1(C)O CC(=O)[*:1] Cc1[nH]nc2C[C@@](C)(O)[C@@H]([C@@H](c3ccccc3F)c21)[*:1]
CC(=O)[C@@H]1[C@@H](c2ccccc2F)c2c(n[nH]c2C)C[C@@]1(C)O Fc1ccccc1[*:1] CC(=O)[C@@H]1[C@@H](c2c(C[C@@]1(C)O)n[nH]c2C)[*:1]
CCCn1c(C)nnc1SCc1nc(-c2ccccc2)no1 CCC[*:1] Cc1nnc(SCc2nc(no2)-c2ccccc2)n1[*:1]
CCCn1c(C)nnc1SCc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CCCn1c(C)nnc1SCc1nc(no1)[*:1]
CCOc1ccccc1NC(=O)NCC1CCN(c2ccc(C)nn2)CC1 CCOc1ccccc1[*:1] Cc1ccc(nn1)N1CCC(CC1)CNC(=O)N[*:1]
CCOc1ccccc1NC(=O)NCC1CCN(c2ccc(C)nn2)CC1 Cc1ccc(nn1)[*:1] CCOc1ccccc1NC(=O)NCC1CCN(CC1)[*:1]
CCOc1ccccc1NC(=O)NCC1CCN(c2ccc(C)nn2)CC1 CCO[*:1] Cc1ccc(nn1)N1CCC(CC1)CNC(=O)Nc1ccccc1[*:1]
CC(C)(O)C(=O)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 OCC1CCN(CC1)[*:1] CC(C)(O)C(=O)N[C@H]1CCCc2nc(ncc21)[*:1]
CC(C)(O)C(=O)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 CC(C)(O)[*:1] O=C(N[C@H]1CCCc2nc(ncc21)N1CCC(CO)CC1)[*:1]
CC(C)(O)C(=O)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 CC(C)(O)C(=O)N[*:1] OCC1CCN(CC1)c1ncc2c(CCC[C@@H]2[*:1])n1
CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NCCCn3cccn3)cc21 CC(=O)N[*:1] O=S(=O)(NCCCn1cccn1)c1ccc2CC[C@@H](c2c1)[*:1]
CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NCCCn3cccn3)cc21 c1cnn(c1)[*:1] CC(=O)N[C@H]1CCc2ccc(cc21)S(=O)(=O)NCCC[*:1]
CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NCCCn3cccn3)cc21 c1cnn(c1)CC[*:1] CC(=O)N[C@H]1CCc2ccc(cc21)S(=O)(=O)NC[*:1]
CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NCCCn3cccn3)cc21 c1cnn(c1)CCC[*:1] CC(=O)N[C@H]1CCc2ccc(cc21)S(=O)(=O)N[*:1]
CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NCCCn3cccn3)cc21 c1cnn(c1)C[*:1] CC(=O)N[C@H]1CCc2ccc(cc21)S(=O)(=O)NCC[*:1]
Cc1ccc(NC(=O)N[C@@H]2CCc3c(F)cccc32)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@@H]1CCc2c(F)cccc21
COC(=O)[C@H](C#N)c1nc2ccccc2nc1Cl COC(=O)[*:1] N#C[C@H](c1nc2ccccc2nc1Cl)[*:1]
N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]1C[*:1]
N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)[*:1]
Cc1cc(C[C@@H](C)N[C@@H]2CCOc3cc(C)c(C)cc32)[nH]n1 Cc1cc(C[*:1])[nH]n1 Cc1cc2OCC[C@@H](N[C@H](C)[*:1])c2cc1C
Cc1cc(C[C@@H](C)N[C@@H]2CCOc3cc(C)c(C)cc32)[nH]n1 Cc1cc([nH]n1)[*:1] Cc1cc2OCC[C@@H](N[C@H](C)C[*:1])c2cc1C
[NH3+][C@@H](Cc1ccncc1)Cc1nccs1 c1csc(n1)[*:1] [NH3+][C@@H](Cc1ccncc1)C[*:1]
Cc1ccc(NC(=O)CN(C)Cc2cncs2)nc1 c1ncc(C[*:1])s1 Cc1ccc(nc1)NC(=O)CN(C)[*:1]
Cc1ccc(NC(=O)CN(C)Cc2cncs2)nc1 c1ncc(s1)[*:1] Cc1ccc(nc1)NC(=O)CN(C)C[*:1]
COCCCn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nc2c(sc3ccccc32)c1=O COCCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CSc1nc2c(sc3ccccc32)c(=O)n1[*:1]
COCCCn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nc2c(sc3ccccc32)c1=O COCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CSc1nc2c(sc3ccccc32)c(=O)n1C[*:1]
COCCCn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nc2c(sc3ccccc32)c1=O COC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CC[*:1]
Cc1csc(CCCCNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)n1 Cc1csc(n1)[*:1] NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCCCC[*:1]
Cc1csc(CCCCNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)n1 Cc1csc(CC[*:1])n1 NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCC[*:1]
Cc1csc(CCCCNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)n1 NS(=O)(=O)[*:1] Cc1csc(CCCCNC(=O)c2cc(ccc2Cl)[*:1])n1
Cc1csc(CCCCNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)n1 Cc1csc(C[*:1])n1 NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCCC[*:1]
CC(C)c1sc(NC(=O)C2CCN(C(=O)N(C)C)CC2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)c1sc(nc1[*:1])NC(=O)C1CCN(CC1)C(=O)N(C)C
CC(C)c1sc(NC(=O)C2CCN(C(=O)N(C)C)CC2)nc1-c1ccccc1 CC(C)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)Nc1nc(-c2ccccc2)c(s1)[*:1]
CC(C)OCC/C([O-])=N/S(=O)(=O)c1cc(Cl)ccc1Cl CC(C)O[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])c1cc(Cl)ccc1Cl
CC(C)OCC/C([O-])=N/S(=O)(=O)c1cc(Cl)ccc1Cl CC(C)OCC[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1cc(Cl)ccc1Cl
CC(C)OCC/C([O-])=N/S(=O)(=O)c1cc(Cl)ccc1Cl CC(C)OC[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1cc(Cl)ccc1Cl
CC(C)OCC/C([O-])=N/S(=O)(=O)c1cc(Cl)ccc1Cl CC(C)[*:1] O=S(=O)(/N=C(\[O-])CCO[*:1])c1cc(Cl)ccc1Cl
CC(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)C4CCC4)CC3)c2c1 C1CC(C1)[*:1] CC(=O)Nc1ccc2cnn(CC3(O)CCN(CC3)C(=O)[*:1])c2c1
CC(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)C4CCC4)CC3)c2c1 CC(=O)N[*:1] O=C(C1CCC1)N1CCC(O)(CC1)Cn1ncc2ccc(cc21)[*:1]
CC(C)[C@H](c1ccccc1Cl)N(C)Cc1cnnn1C Cn1nncc1[*:1] CC(C)[C@H](c1ccccc1Cl)N(C)C[*:1]
CC(C)[C@H](c1ccccc1Cl)N(C)Cc1cnnn1C CC(C)[*:1] CN(Cc1cnnn1C)[C@@H](c1ccccc1Cl)[*:1]
O=C(CCC(=O)c1ccc(F)cc1)OCC(=O)N1CCCC1=O Fc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])OCC(=O)N1CCCC1=O
O=C1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CCN1CC1CC1 C1CC1[*:1] O=C1CC[C@@H](CCN1C[*:1])[NH2+]Cc1ccc(cc1)C(=O)N1CCCC1
O=C1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CCN1CC1CC1 C1CC1C[*:1] O=C(c1ccc(cc1)C[NH2+][C@H]1CCC(=O)N(CC1)[*:1])N1CCCC1
O=C1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CCN1CC1CC1 O=C(N1CCCC1)[*:1] O=C1CC[C@@H](CCN1CC1CC1)[NH2+]Cc1ccc(cc1)[*:1]
COC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O COC(=O)[*:1] CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)[*:1]
COC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O COC(=O)[C@@H](C)[*:1] CC(=O)N[C@@H](CC(C)C)C(=O)N[*:1]
COC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O CC(C)[*:1] COC(=O)[C@@H](C)NC(=O)[C@H](C[*:1])NC(C)=O
COC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O CC(C)C[*:1] COC(=O)[C@@H](C)NC(=O)[C@H](NC(C)=O)[*:1]
COC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O CC(=O)N[*:1] COC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)[*:1]
CC(C)CN(CC(N)=O)c1ncc(N)cc1Br CC(C)[*:1] NC(=O)CN(C[*:1])c1ncc(N)cc1Br
CC(C)CN(CC(N)=O)c1ncc(N)cc1Br CC(C)C[*:1] NC(=O)CN(c1ncc(N)cc1Br)[*:1]
CC(C)CN(CC(N)=O)c1ncc(N)cc1Br NC(=O)C[*:1] CC(C)CN(c1ncc(N)cc1Br)[*:1]
CC(C)CN(CC(N)=O)c1ncc(N)cc1Br NC(=O)[*:1] CC(C)CN(C[*:1])c1ncc(N)cc1Br
Cc1ccc(-c2n[nH]cc2CNc2ccccc2Cn2cncn2)o1 c1ncn(C[*:1])n1 Cc1ccc(o1)-c1n[nH]cc1CNc1ccccc1[*:1]
Cc1ccc(-c2n[nH]cc2CNc2ccccc2Cn2cncn2)o1 Cc1ccc(o1)[*:1] c1ccc(NCc2c[nH]nc2[*:1])c(c1)Cn1cncn1
Cc1ccc(-c2n[nH]cc2CNc2ccccc2Cn2cncn2)o1 c1ncn(n1)[*:1] Cc1ccc(o1)-c1n[nH]cc1CNc1ccccc1C[*:1]
CC1=NC(C)=C(S(=O)(=O)NCCC(=O)Nc2ccccc2)[C@H]1C(=O)N1CCCCC1 c1ccc(cc1)[*:1] CC1=NC(C)=C([C@H]1C(=O)N1CCCCC1)S(=O)(=O)NCCC(=O)N[*:1]
CC1=NC(C)=C(S(=O)(=O)NCCC(=O)Nc2ccccc2)[C@H]1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CC1=NC(C)=C([C@@H]1[*:1])S(=O)(=O)NCCC(=O)Nc1ccccc1
CC1=NC(C)=C(S(=O)(=O)NCCC(=O)Nc2ccccc2)[C@H]1C(=O)N1CCCCC1 O=C(C[*:1])Nc1ccccc1 CC1=NC(C)=C([C@H]1C(=O)N1CCCCC1)S(=O)(=O)NC[*:1]
CC1=NC(C)=C(S(=O)(=O)NCCC(=O)Nc2ccccc2)[C@H]1C(=O)N1CCCCC1 O=C(Nc1ccccc1)[*:1] CC1=NC(C)=C([C@H]1C(=O)N1CCCCC1)S(=O)(=O)NCC[*:1]
FC(F)(F)c1cccc([C@H]2CN(Cc3cnc4ncccn34)CCO2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])[C@H]1CN(CCO1)Cc1cnc2ncccn12
COc1cccc(CN(C)C(=O)CN2CCOc3ccccc32)c1 COc1cccc(c1)[*:1] CN(C[*:1])C(=O)CN1CCOc2ccccc21
CC(C)[C@@H](CCO)NC(=O)NC[C@@H]1Cc2ccccc2O1 CC(C)[C@@H](CCO)[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)N[*:1]
CC(C)[C@@H](CCO)NC(=O)NC[C@@H]1Cc2ccccc2O1 OCC[*:1] CC(C)[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2O1)[*:1]
CC(C)[C@@H](CCO)NC(=O)NC[C@@H]1Cc2ccccc2O1 CC(C)[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)N[C@H](CCO)[*:1]
CCCCn1nnnc1CSc1ccc(N)c(C)c1 CCCC[*:1] Cc1cc(ccc1N)SCc1nnnn1[*:1]
CCCCn1nnnc1CSc1ccc(N)c(C)c1 CCC[*:1] Cc1cc(ccc1N)SCc1nnnn1C[*:1]
CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccsc2)o1 c1cc(cs1)[*:1] CC(C)(C)OC(=O)NCc1ccc(o1)C(=O)N[*:1]
CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccsc2)o1 CC(C)(C)[*:1] O=C(NCc1ccc(o1)C(=O)Nc1ccsc1)O[*:1]
COCCCNC(=O)Cn1nc(-c2ccc(C)s2)ccc1=O COC[*:1] Cc1ccc(s1)-c1ccc(=O)n(CC(=O)NCC[*:1])n1
COCCCNC(=O)Cn1nc(-c2ccc(C)s2)ccc1=O Cc1ccc(s1)[*:1] COCCCNC(=O)Cn1nc(ccc1=O)[*:1]
COCCCNC(=O)Cn1nc(-c2ccc(C)s2)ccc1=O COCCC[*:1] Cc1ccc(s1)-c1ccc(=O)n(CC(=O)N[*:1])n1
COCCCNC(=O)Cn1nc(-c2ccc(C)s2)ccc1=O COCC[*:1] Cc1ccc(s1)-c1ccc(=O)n(CC(=O)NC[*:1])n1
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccccc1I Ic1ccccc1[*:1] O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N[*:1]
CC[NH+](CC)CCn1/c(=N/C(=O)c2sccc2C)[nH]c2ccccc21 Cc1ccsc1[*:1] CC[NH+](CC)CCn1/c(=N/C(=O)[*:1])[nH]c2ccccc21
O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccno2)o1 c1cc(on1)[*:1] O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(o1)[*:1]
O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccno2)o1 Clc1ccc(cc1)[*:1] O=C(CCCS(=O)(=O)[*:1])Nc1nnc(o1)-c1ccno1
O=Cc1cccc(OCCC(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1 O=Cc1cccc(c1)[*:1] O=C(CCO[*:1])N[C@H]1CCN(C1=O)c1ccccc1
O=Cc1cccc(OCCC(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] O=Cc1cccc(c1)OCCC(=O)N[C@H]1CCN(C1=O)[*:1]
Cc1cc(N2CCN(C(=O)CCC3CCCC3)CC2)ncc1[N+](=O)[O-] C1CCC(C1)[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCN(CC1)C(=O)CC[*:1]
Cc1cc(N2CCN(C(=O)CCC3CCCC3)CC2)ncc1[N+](=O)[O-] C1CCC(C1)CC[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
Cc1cc(N2CCN(C(=O)CCC3CCCC3)CC2)ncc1[N+](=O)[O-] C1CCC(C1)C[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCN(CC1)C(=O)C[*:1]
Cc1cc(N2CCN(C(=O)CCC3CCCC3)CC2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CCN(CC1)C(=O)CCC1CCCC1
Cc1cccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 Cc1cccc(c1)O[*:1] Cc1ccc(cc1NC(=O)CC[*:1])S(=O)(=O)N1CCCCC1
Cc1cccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 O=S(=O)(N1CCCCC1)[*:1] Cc1cccc(c1)OCCC(=O)Nc1cc(ccc1C)[*:1]
Cc1cccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)CCO[*:1])S(=O)(=O)N1CCCCC1
Cc1cccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 Cc1cccc(c1)OC[*:1] Cc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N1CCCCC1
COc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)n3)CC2=O)cc1 Clc1cccc(n1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
COc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)n3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)n1)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)NCc1noc(C(C)(C)C)n1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)NCc1noc(n1)C(C)(C)C
C[C@@H](Cc1cccs1)N(C)C(=O)NCc1noc(C(C)(C)C)n1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)NCc1noc(n1)C(C)(C)C)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)NCc1noc(C(C)(C)C)n1 CC(C)(C)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)NCc1noc(n1)[*:1]
CCCC[C@@H](C(=O)N[C@@H]1CCC[C@H](C)C1)N1CCCS1(=O)=O CCCC[*:1] C[C@H]1CCC[C@H](C1)NC(=O)[C@@H](N1CCCS1(=O)=O)[*:1]
CCCC[C@@H](C(=O)N[C@@H]1CCC[C@H](C)C1)N1CCCS1(=O)=O CCC[*:1] C[C@H]1CCC[C@H](C1)NC(=O)[C@H](C[*:1])N1CCCS1(=O)=O
CCCC[C@@H](C(=O)N[C@@H]1CCC[C@H](C)C1)N1CCCS1(=O)=O O=S1(=O)CCCN1[*:1] CCCC[C@@H](C(=O)N[C@@H]1CCC[C@H](C)C1)[*:1]
CCCC[C@@H](C(=O)N[C@@H]1CCC[C@H](C)C1)N1CCCS1(=O)=O C[C@H]1CCC[C@H](C1)[*:1] CCCC[C@@H](C(=O)N[*:1])N1CCCS1(=O)=O
CCC(=O)N[C@@H](Cc1ccccc1)n1nnc2ccccc21 c1ccc(cc1)C[*:1] CCC(=O)N[C@@H](n1nnc2ccccc21)[*:1]
CCC(=O)N[C@@H](Cc1ccccc1)n1nnc2ccccc21 c1ccc(cc1)[*:1] CCC(=O)N[C@@H](C[*:1])n1nnc2ccccc21
CCC(=O)N[C@@H](Cc1ccccc1)n1nnc2ccccc21 CCC(=O)N[*:1] c1ccc(cc1)C[C@@H](n1nnc2ccccc21)[*:1]
CCOCCS(=O)(=O)NCC(=O)[O-] CCOC[*:1] O=C([O-])CNS(=O)(=O)C[*:1]
CCOCCS(=O)(=O)NCC(=O)[O-] O=C([O-])[*:1] CCOCCS(=O)(=O)NC[*:1]
CCOCCS(=O)(=O)NCC(=O)[O-] CCO[*:1] O=C([O-])CNS(=O)(=O)CC[*:1]
CCOCCS(=O)(=O)NCC(=O)[O-] O=C([O-])C[*:1] CCOCCS(=O)(=O)N[*:1]
[NH3+]CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 O=[N+]([O-])[*:1] [NH3+]CCC1CC[NH+](CC1)Cc1ccc(c(F)c1)[*:1]
[NH3+]CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 [NH3+]CC[*:1] O=[N+]([O-])c1ccc(cc1F)C[NH+]1CCC(CC1)[*:1]
C[C@H](C1CC1)N(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] C[C@H](C1CC1)N(C)C(=O)c1ccc(o1)[*:1]
C[C@H](C1CC1)N(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 C1CC1[*:1] C[C@H](N(C)C(=O)c1ccc(o1)-c1ccc(Cl)cc1)[*:1]
COc1ncccc1CNC(=O)CCC(=O)c1cccs1 O=C(c1cccs1)[*:1] COc1ncccc1CNC(=O)CC[*:1]
COc1ncccc1CNC(=O)CCC(=O)c1cccs1 c1csc(c1)[*:1] COc1ncccc1CNC(=O)CCC(=O)[*:1]
Cc1cc(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c(-n2nc(C)cc2C)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c(n1)[*:1]
Cc1cc(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c(-n2nc(C)cc2C)n1 Cc1ccc(cc1Cl)[*:1] Cc1cc(=O)n(CC(=O)N[*:1])c(n1)-n1nc(C)cc1C
C[C@H](NC(=O)NCCN(C)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCCN(C)[*:1])c1ccccc1
C[C@H](NC(=O)NCCN(C)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCCN(C)c1ccccc1)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2cn3ccsc3n2)C1=O c1cn2cc(C[*:1])nc2s1 CC[C@@]1(NC(=O)N(NC(=O)[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2cn3ccsc3n2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(NC(=O)Cc2cn3ccsc3n2)C1=O)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2cn3ccsc3n2)C1=O c1cn2cc(nc2s1)[*:1] CC[C@@]1(NC(=O)N(NC(=O)C[*:1])C1=O)c1ccccc1
CC[C@@H](C)OC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 CC[C@@H](C)[*:1] C[C@H]1CCc2c(C1)sc1ncn(c(=O)c21)[C@@H](C)C(=O)O[*:1]
CC[C@@H](C)OC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 CC[C@@H](C)OC(=O)[*:1] C[C@H]1CCc2c(C1)sc1ncn(c(=O)c21)[C@@H](C)[*:1]
CC(C)(C)c1csc(CCNC2=NS(=O)(=O)c3ccccc32)n1 CC(C)(C)[*:1] O=S1(=O)N=C(NCCc2nc(cs2)[*:1])c2ccccc21
CN(C)C(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)N[C@H](C[*:1])c1ccccc1
CN(C)C(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)C[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)N[C@H](c1ccccc1)[*:1]
CN(C)C(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)N[C@H](Cc1ccccc1)[*:1]
CN(C)C(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 CN(C)C(=O)[*:1] O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(cc1)[*:1]
Cc1ccc(/C=C2/N=C(SCC(N)=O)N(CC(C)C)C2=O)s1 CC(C)C[*:1] Cc1ccc(/C=C2/N=C(SCC(N)=O)N(C2=O)[*:1])s1
Cc1ccc(/C=C2/N=C(SCC(N)=O)N(CC(C)C)C2=O)s1 Cc1ccc(s1)[*:1] CC(C)CN1C(=O)C(=C[*:1])N=C1SCC(N)=O
Cc1ccc(/C=C2/N=C(SCC(N)=O)N(CC(C)C)C2=O)s1 NC(=O)[*:1] Cc1ccc(/C=C2/N=C(SC[*:1])N(CC(C)C)C2=O)s1
Cc1ccc(/C=C2/N=C(SCC(N)=O)N(CC(C)C)C2=O)s1 NC(=O)C[*:1] Cc1ccc(/C=C2/N=C(S[*:1])N(CC(C)C)C2=O)s1
Cc1ccc(/C=C2/N=C(SCC(N)=O)N(CC(C)C)C2=O)s1 CC(C)[*:1] Cc1ccc(/C=C2/N=C(SCC(N)=O)N(C[*:1])C2=O)s1
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)COC2 c1cc2COCc2cc1[*:1] O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[*:1]
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)COC2 c1ccc(cc1)[*:1] O=C(C[C@H](NC(=O)c1ccccc1)[*:1])Nc1ccc2COCc2c1
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)COC2 c1ccc(cc1)[*:1] O=C(C[C@H](NC(=O)[*:1])c1ccccc1)Nc1ccc2COCc2c1
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)COC2 O=C(N[*:1])c1ccccc1 O=C(C[C@H](c1ccccc1)[*:1])Nc1ccc2COCc2c1
O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1[N+](=O)[O-] OCc1ccc(o1)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1ccccc1[N+](=O)[O-]
O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1[*:1]
C[C@H]1CCC[C@@H](C[N+](C)(C)C2CCCC2)C1 C1CCC(C1)[*:1] C[C@H]1CCC[C@H](C1)C[N+](C)(C)[*:1]
CC(=O)c1cc2c(cc1NC(=O)c1ccc(F)cc1)OCCO2 CC(=O)[*:1] O=C(Nc1cc2OCCOc2cc1[*:1])c1ccc(F)cc1
CC(=O)c1cc2c(cc1NC(=O)c1ccc(F)cc1)OCCO2 Fc1ccc(cc1)[*:1] CC(=O)c1cc2OCCOc2cc1NC(=O)[*:1]
CC[C@H](CC#N)Nc1ccc(Br)cc1F N#CC[*:1] CC[C@H](Nc1ccc(Br)cc1F)[*:1]
N#Cc1ccc(NC2CCN(C(=O)c3ccccc3F)CC2)c(F)c1 Fc1ccccc1[*:1] N#Cc1ccc(NC2CCN(CC2)C(=O)[*:1])c(F)c1
CSCCCNC(=O)Nc1ccc(Br)cc1 CSCCC[*:1] O=C(Nc1ccc(Br)cc1)N[*:1]
CSCCCNC(=O)Nc1ccc(Br)cc1 CSCC[*:1] O=C(NC[*:1])Nc1ccc(Br)cc1
CSCCCNC(=O)Nc1ccc(Br)cc1 CSC[*:1] O=C(NCC[*:1])Nc1ccc(Br)cc1
CC1(C)C[C@@H](NC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)c2ccccc21 NC(=O)[*:1] CC1(C)C[C@@H](NC(=O)C(=O)Nc2ccc(cc2F)[*:1])c2ccccc21
C[C@@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1F FC(F)(F)[*:1] C[C@@H](N[C@H](C[*:1])c1ccc(F)cc1)c1ccccc1F
C[C@@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1F FC(F)(F)C[*:1] C[C@@H](N[C@H](c1ccc(F)cc1)[*:1])c1ccccc1F
C[C@@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1F Fc1ccccc1[*:1] C[C@@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
C[C@@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1F Fc1ccc(cc1)[*:1] C[C@@H](N[C@H](CC(F)(F)F)[*:1])c1ccccc1F
CC[C@H]1CN(C(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)C[C@H](C)O1 c1ccc(cc1)[*:1] CC[C@H]1CN(C[C@H](C)O1)C(=O)[C@@H](C)n1nnc(n1)[*:1]
NC(=O)c1ccc(SCC(=O)N2CCc3cc(F)ccc3C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(SCC(=O)N2CCc3cc(F)ccc3C2)c(c1)[*:1]
NC(=O)c1ccc(SCC(=O)N2CCc3cc(F)ccc3C2)c([N+](=O)[O-])c1 NC(=O)[*:1] O=C(CSc1ccc(cc1[N+](=O)[O-])[*:1])N1CCc2cc(F)ccc2C1
Nc1cnn(-c2cccc(Cl)c2)c1C1CC1 C1CC1[*:1] Nc1cnn(-c2cccc(Cl)c2)c1[*:1]
Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)c(C)n1 c1coc(c1)[*:1] Cc1ccc(C(=O)N2CCCCC[C@@H]2[*:1])c(C)n1
COc1cccc(CN(C)C(=O)CCC2=NC(=O)C3=C4CCC[C@H]4SC3=N2)c1OC COc1cccc(c1OC)[*:1] CN(C[*:1])C(=O)CCC1=NC(=O)C2C(=N1)S[C@@H]1CCCC=21
COc1cc(C)c(-c2nc(C3CCCCC3)no2)cc1OC C1CCC(CC1)[*:1] COc1cc(C)c(cc1OC)-c1nc(no1)[*:1]
CCN(CC)C(=S)S[C@@H](C(=O)N(C)C)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=S)S[C@@H](C(=O)N(C)C)[*:1]
CCN(CC)C(=S)S[C@@H](C(=O)N(C)C)c1ccccc1 CN(C)C(=O)[*:1] CCN(CC)C(=S)S[C@@H](c1ccccc1)[*:1]
O=C(Nc1nccs1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 O=C(Nc1nccs1)[*:1] FC(F)(F)c1ccc(nc1)N1CCC(CC1)[*:1]
O=C(Nc1nccs1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 c1csc(n1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(cn1)C(F)(F)F
O=C(Nc1nccs1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C(Nc1nccs1)C1CCN(CC1)c1ccc(cn1)[*:1]
CCN(Cc1cccc(NC(=O)N(C)Cc2cc(C)on2)c1)C(C)=O Cc1cc(no1)[*:1] CCN(Cc1cccc(c1)NC(=O)N(C)C[*:1])C(C)=O
CCN(Cc1cccc(NC(=O)N(C)Cc2cc(C)on2)c1)C(C)=O CCN(C(C)=O)[*:1] Cc1cc(CN(C)C(=O)Nc2cccc(c2)C[*:1])no1
CCN(Cc1cccc(NC(=O)N(C)Cc2cc(C)on2)c1)C(C)=O Cc1cc(C[*:1])no1 CCN(Cc1cccc(c1)NC(=O)N(C)[*:1])C(C)=O
CCN(Cc1cccc(NC(=O)N(C)Cc2cc(C)on2)c1)C(C)=O CCN(C[*:1])C(C)=O Cc1cc(CN(C)C(=O)Nc2cccc(c2)[*:1])no1
CO[C@]1(C)C[C@H](NC(=O)NCC(=O)NCCc2ccccc2)C1(C)C c1ccc(cc1)CC[*:1] CO[C@]1(C)C[C@H](NC(=O)NCC(=O)N[*:1])C1(C)C
CO[C@]1(C)C[C@H](NC(=O)NCC(=O)NCCc2ccccc2)C1(C)C c1ccc(cc1)C[*:1] CO[C@]1(C)C[C@H](NC(=O)NCC(=O)NC[*:1])C1(C)C
CO[C@]1(C)C[C@H](NC(=O)NCC(=O)NCCc2ccccc2)C1(C)C c1ccc(cc1)[*:1] CO[C@]1(C)C[C@H](NC(=O)NCC(=O)NCC[*:1])C1(C)C
COc1cc(C)c(S(=O)(=O)NC[C@H]2CCCO2)cc1OC C1CO[C@H](C1)C[*:1] COc1cc(C)c(cc1OC)S(=O)(=O)N[*:1]
COc1cc(C)c(S(=O)(=O)NC[C@H]2CCCO2)cc1OC C1CO[C@H](C1)[*:1] COc1cc(C)c(cc1OC)S(=O)(=O)NC[*:1]
COc1cc([C@@H](C)NC(=O)c2ccncc2F)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[C@@H](C)NC(=O)c1ccncc1F
COc1cc([C@@H](C)NC(=O)c2ccncc2F)ccc1OC(C)C Fc1cnccc1[*:1] COc1cc(ccc1OC(C)C)[C@@H](C)NC(=O)[*:1]
COc1cc([C@@H](C)NC(=O)c2ccncc2F)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)c1ccncc1F
O=C(CSc1ncn[nH]1)N1CCC[C@H]2CCCC[C@@H]21 c1n[nH]c(n1)S[*:1] O=C(C[*:1])N1CCC[C@H]2CCCC[C@@H]21
O=C(CSc1ncn[nH]1)N1CCC[C@H]2CCCC[C@@H]21 c1n[nH]c(n1)[*:1] O=C(CS[*:1])N1CCC[C@H]2CCCC[C@@H]21
CC1(C)CCCC[C@H]1Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC1(C)CCCC[C@H]1Nc1ccccc1[*:1]
CCCn1c2ccccc2c2nnc(S[C@@H](C)c3nc(C)no3)nc21 Cc1noc(n1)[*:1] CCCn1c2ccccc2c2nnc(nc21)S[C@@H](C)[*:1]
CCCn1c2ccccc2c2nnc(S[C@@H](C)c3nc(C)no3)nc21 CCC[*:1] Cc1noc(n1)[C@H](C)Sc1nnc2c3ccccc3n(c2n1)[*:1]
C[C@H](CNC(=O)COCC[NH3+])[NH+]1CCCCC1 [NH3+]CCOC[*:1] C[C@H](CNC(=O)[*:1])[NH+]1CCCCC1
C[C@H](CNC(=O)COCC[NH3+])[NH+]1CCCCC1 [NH3+]CC[*:1] C[C@H](CNC(=O)CO[*:1])[NH+]1CCCCC1
C[C@H](CNC(=O)COCC[NH3+])[NH+]1CCCCC1 [NH3+]CCO[*:1] C[C@H](CNC(=O)C[*:1])[NH+]1CCCCC1
CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCc2ccccc2)C1 c1ccc(cc1)[*:1] CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)NCCC[*:1]
CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCc2ccccc2)C1 c1ccc(cc1)C[*:1] CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)NCC[*:1]
Cc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)nc12 Cc1cccc2sc(nc12)[*:1] O=C(c1ccc2OCCOc2c1)N(CCCn1ccnc1)[*:1]
Cc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)nc12 c1cn(cn1)CCC[*:1] Cc1cccc2sc(nc12)N(C(=O)c1ccc2OCCOc2c1)[*:1]
Cc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)nc12 c1cn(cn1)C[*:1] Cc1cccc2sc(nc12)N(CC[*:1])C(=O)c1ccc2OCCOc2c1
Cc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)nc12 c1cn(cn1)CC[*:1] Cc1cccc2sc(nc12)N(C[*:1])C(=O)c1ccc2OCCOc2c1
Cc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)nc12 c1cc2OCCOc2cc1[*:1] Cc1cccc2sc(nc12)N(CCCn1ccnc1)C(=O)[*:1]
Cc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)nc12 c1cn(cn1)[*:1] Cc1cccc2sc(nc12)N(CCC[*:1])C(=O)c1ccc2OCCOc2c1
CC[C@H]1CN(C(=O)NCCN2CCOCC2)CC[C@@H]1c1ccccc1 C1CN(CCO1)[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)NCC[*:1]
CC[C@H]1CN(C(=O)NCCN2CCOCC2)CC[C@@H]1c1ccccc1 C1CN(CCO1)CC[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)N[*:1]
CC[C@H]1CN(C(=O)NCCN2CCOCC2)CC[C@@H]1c1ccccc1 C1CN(CCO1)C[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)NC[*:1]
CC[C@H]1CN(C(=O)NCCN2CCOCC2)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@H]1[*:1])C(=O)NCCN1CCOCC1
CCn1nc(C)c2nc([C@@H](C)Cl)n(C)c21 C[C@@H](Cl)[*:1] CCn1nc(C)c2nc(n(C)c21)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)N1C[C@H](C)S[C@H](C)C1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1C[C@H](C)S[C@H](C)C1
Cc1ccccc1C(=O)N[C@@H](C(=O)N1C[C@H](C)S[C@H](C)C1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N1C[C@H](C)S[C@H](C)C1)[*:1]
CCO[C@H]1C[C@@H]([NH2+]C)C12CCCC2 CCO[*:1] C[NH2+][C@@H]1C[C@@H](C12CCCC2)[*:1]
O=c1[nH]nc(SCc2cccc(Br)c2)n2nc(-c3cccs3)cc12 Brc1cccc(c1)[*:1] O=c1[nH]nc(SC[*:1])n2nc(cc12)-c1cccs1
O=c1[nH]nc(SCc2cccc(Br)c2)n2nc(-c3cccs3)cc12 c1csc(c1)[*:1] O=c1[nH]nc(SCc2cccc(Br)c2)n2nc(cc12)[*:1]
O=c1[nH]nc(SCc2cccc(Br)c2)n2nc(-c3cccs3)cc12 Brc1cccc(c1)C[*:1] O=c1[nH]nc(S[*:1])n2nc(cc12)-c1cccs1
C[S@@](=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 C[S@@](=O)[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1ccc(cc1)[*:1]
C[S@@](=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] C[S@@](=O)c1ccc(cc1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1[*:1]
C[S@@](=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 C[S@@](=O)c1ccc(cc1)[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[*:1]
Cc1csc([C@@H](C#N)C(=O)CCNC(=O)c2cccs2)n1 c1csc(c1)[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)CCNC(=O)[*:1]
Cc1csc([C@@H](C#N)C(=O)CCNC(=O)c2cccs2)n1 Cc1csc(n1)[*:1] N#C[C@@H](C(=O)CCNC(=O)c1cccs1)[*:1]
O=[N+]([O-])c1ccc(Oc2cncc(Cl)c2)nc1 O=[N+]([O-])[*:1] Clc1cncc(c1)Oc1ccc(cn1)[*:1]
COC[C@H](NC(=O)c1cc(NC(C)=O)ccc1Cl)c1ccnn1C COC[*:1] CC(=O)Nc1ccc(Cl)c(c1)C(=O)N[C@H](c1ccnn1C)[*:1]
COC[C@H](NC(=O)c1cc(NC(C)=O)ccc1Cl)c1ccnn1C CC(=O)N[*:1] COC[C@H](NC(=O)c1cc(ccc1Cl)[*:1])c1ccnn1C
COC[C@H](NC(=O)c1cc(NC(C)=O)ccc1Cl)c1ccnn1C Cn1nccc1[*:1] COC[C@H](NC(=O)c1cc(ccc1Cl)NC(C)=O)[*:1]
O=C([O-])CCSC1=NC=NC2=NC=N[C@H]21 O=C([O-])CC[*:1] C1=NC2=NC=N[C@H]2C(=N1)S[*:1]
O=C([O-])CCSC1=NC=NC2=NC=N[C@H]21 O=C([O-])C[*:1] C1=NC2=NC=N[C@H]2C(=N1)SC[*:1]
O=C([O-])CCSC1=NC=NC2=NC=N[C@H]21 O=C([O-])[*:1] C1=NC2=NC=N[C@H]2C(=N1)SCC[*:1]
CCSCC[C@@H](C)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 CCSCC[*:1] C[C@@H](N(C)C(=O)c1ccc(N)c(c1)[N+](=O)[O-])[*:1]
CCSCC[C@@H](C)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCSCC[C@@H](C)N(C)C(=O)c1ccc(N)c(c1)[*:1]
CCSCC[C@@H](C)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 CCS[*:1] C[C@H](CC[*:1])N(C)C(=O)c1ccc(N)c(c1)[N+](=O)[O-]
CCSCC[C@@H](C)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 CCSC[*:1] C[C@H](C[*:1])N(C)C(=O)c1ccc(N)c(c1)[N+](=O)[O-]
COc1cc([C@H]2CN(C(=O)NC(C)(C)C)C[C@@H]2C(=O)N2CCCCC2)cc(OC)c1OC CC(C)(C)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CN(C[C@@H]1C(=O)N1CCCCC1)C(=O)N[*:1]
COc1cc([C@H]2CN(C(=O)NC(C)(C)C)C[C@@H]2C(=O)N2CCCCC2)cc(OC)c1OC O=C(N1CCCCC1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CN(C[C@H]1[*:1])C(=O)NC(C)(C)C
Cc1cnc2c(c1)nc([C@H](C)Cl)n2[C@H](C)C1CC1 C[C@H](C1CC1)[*:1] Cc1cnc2c(c1)nc([C@H](C)Cl)n2[*:1]
Cc1cnc2c(c1)nc([C@H](C)Cl)n2[C@H](C)C1CC1 C[C@H](Cl)[*:1] Cc1cnc2c(c1)nc(n2[C@H](C)C1CC1)[*:1]
Cc1cnc2c(c1)nc([C@H](C)Cl)n2[C@H](C)C1CC1 C1CC1[*:1] Cc1cnc2c(c1)nc([C@H](C)Cl)n2[C@H](C)[*:1]
CCO[C@H]1CC[C@@](N)(C(=O)OC)C1 CCO[*:1] COC(=O)[C@]1(N)CC[C@@H](C1)[*:1]
CCO[C@H]1CC[C@@](N)(C(=O)OC)C1 COC(=O)[*:1] CCO[C@H]1CC[C@@](N)(C1)[*:1]
CCCC(=O)Nc1ccc(OCc2ccccc2F)c(C(C)=O)c1 Fc1ccccc1C[*:1] CCCC(=O)Nc1ccc(O[*:1])c(c1)C(C)=O
CCCC(=O)Nc1ccc(OCc2ccccc2F)c(C(C)=O)c1 Fc1ccccc1[*:1] CCCC(=O)Nc1ccc(OC[*:1])c(c1)C(C)=O
CCCC(=O)Nc1ccc(OCc2ccccc2F)c(C(C)=O)c1 CCC[*:1] CC(=O)c1cc(ccc1OCc1ccccc1F)NC(=O)[*:1]
CCCC(=O)Nc1ccc(OCc2ccccc2F)c(C(C)=O)c1 CC(=O)[*:1] CCCC(=O)Nc1ccc(OCc2ccccc2F)c(c1)[*:1]
CCCC(=O)Nc1ccc(OCc2ccccc2F)c(C(C)=O)c1 CCCC(=O)N[*:1] CC(=O)c1cc(ccc1OCc1ccccc1F)[*:1]
O=C(Cc1cc[nH]n1)NCCCO OCC[*:1] O=C(Cc1cc[nH]n1)NC[*:1]
O=C(Cc1cc[nH]n1)NCCCO OCCC[*:1] O=C(Cc1cc[nH]n1)N[*:1]
Cc1ccc([C@@H]2CC(=O)c3cnc4nc(N5CCCCC5)[nH]c(=O)c4c3C2)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](Cc2c1cnc1nc([nH]c(=O)c21)N1CCCCC1)[*:1]
Cc1ccc([C@@H]2CC(=O)c3cnc4nc(N5CCCCC5)[nH]c(=O)c4c3C2)cc1 C1CCN(CC1)[*:1] Cc1ccc(cc1)[C@@H]1CC(=O)c2cnc3nc([nH]c(=O)c3c2C1)[*:1]
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC O=S(=O)(N1CCCCC1)[*:1] COc1ccc(cc1OC)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] Cc1onc(c1C(=O)Nc1cccc(c1)[*:1])-c1c(F)cccc1Cl
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1)[*:1]
O=[N+]([O-])c1c(Nc2ccc(Cl)cc2)ncnc1N1CCc2ccccc21 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc21)N[*:1]
O=[N+]([O-])c1c(Nc2ccc(Cl)cc2)ncnc1N1CCc2ccccc21 O=[N+]([O-])[*:1] Clc1ccc(cc1)Nc1ncnc(c1[*:1])N1CCc2ccccc21
O=[N+]([O-])c1c(Nc2ccc(Cl)cc2)ncnc1N1CCc2ccccc21 Clc1ccc(cc1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCc2ccccc21
COc1ccccc1Cn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 COc1ccccc1C[*:1] Nc1c(c2nc3ccccc3nc2n1[*:1])S(=O)(=O)c1cccs1
COc1ccccc1Cn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 COc1ccccc1[*:1] Nc1c(c2nc3ccccc3nc2n1C[*:1])S(=O)(=O)c1cccs1
COc1ccccc1Cn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 c1csc(c1)[*:1] COc1ccccc1Cn1c(N)c(c2nc3ccccc3nc21)S(=O)(=O)[*:1]
COc1ccccc1Cn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 O=S(=O)(c1cccs1)[*:1] COc1ccccc1Cn1c(N)c(c2nc3ccccc3nc21)[*:1]
Cc1occc1C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1occc1C(=O)N1CCN(CCNC(=O)[*:1])CC1
Cc1occc1C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 Cc1occc1[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])c1ccccc1F
Cc1ccn(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)n1 Cc1ccn(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1C[C@@H]1c1ccccc1
Cc1ccn(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1ccn(n1)-c1ccc(cc1)NC(=O)[C@H]1C[C@H]1[*:1]
CC(C)N(C(=O)C[S@@](=O)Cc1cc(Cl)cc2c1OCOC2)C(C)C CC(C)[*:1] CC(C)N(C(=O)C[S@@](=O)Cc1cc(Cl)cc2COCOc21)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(O)cc1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(O)cc2)N1c1cccnc1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 Cc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(O)cc2)N1c1cccnc1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2cccnc2)[C@H]1[*:1]
C[C@@H](NC(=O)N(C)CC(C)(C)C)c1ccc(Cl)s1 CC(C)(C)[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)N(C)CC(C)(C)C)c1ccc(Cl)s1 CC(C)(C)C[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)N(C)CC(C)(C)C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)N(C)CC(C)(C)C)[*:1]
Cc1cccc(C(=O)c2cccc(C[NH+]3CCCC3)c2)c1 Cc1cccc(c1)[*:1] O=C(c1cccc(c1)C[NH+]1CCCC1)[*:1]
CCn1nc(C)c(NC(=O)NCCNC(=O)c2ccccc2F)c1C Fc1ccccc1[*:1] CCn1nc(C)c(NC(=O)NCCNC(=O)[*:1])c1C
Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCc2cc(F)ccc2C1 Cc1noc(C)c1[*:1] C[C@@H](CNC(=O)N1CCc2cc(F)ccc2C1)[*:1]
Cc1ccc(NC(=O)CSCC(=O)N[C@@H]2CCc3c(O)cccc32)cc1 Cc1ccc(cc1)[*:1] O=C(CSCC(=O)N[*:1])N[C@@H]1CCc2c(O)cccc21
NC(=O)c1nnn(Cc2cccnc2)c1N NC(=O)[*:1] Nc1c(nnn1Cc1cccnc1)[*:1]
Cc1sc(-c2ccco2)nc1C(=O)NCc1nccc2ccccc12 c1coc(c1)[*:1] Cc1sc(nc1C(=O)NCc1nccc2ccccc12)[*:1]
C[C@@H](CC[NH+](C)C)NC(=O)N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] C[C@@H](CC[NH+](C)C)NC(=O)N1C[C@H](C)O[C@H](C1)[*:1]
CN(C)C(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)CC[S@@](=O)[C@H](C)C(=O)Nc1ccc(Br)cc1F CC(C)C[*:1] C[C@H](C(=O)Nc1ccc(Br)cc1F)[S@](=O)C[*:1]
CC(C)CC[S@@](=O)[C@H](C)C(=O)Nc1ccc(Br)cc1F CC(C)[*:1] C[C@H](C(=O)Nc1ccc(Br)cc1F)[S@](=O)CC[*:1]
CC(C)CC[S@@](=O)[C@H](C)C(=O)Nc1ccc(Br)cc1F CC(C)CC[*:1] C[C@H](C(=O)Nc1ccc(Br)cc1F)[S@](=O)[*:1]
Cc1ccc(CN2C(=O)/C(=N\OC(=O)C(Cl)Cl)c3ccccc32)cc1 ClC(Cl)[*:1] Cc1ccc(cc1)CN1C(=O)/C(=N\OC(=O)[*:1])c2ccccc21
Cc1ccc(CN2C(=O)/C(=N\OC(=O)C(Cl)Cl)c3ccccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(O/N=C1\C(=O)N(c2ccccc21)[*:1])C(Cl)Cl
Cc1ccc(CN2C(=O)/C(=N\OC(=O)C(Cl)Cl)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(O/N=C1\C(=O)N(C[*:1])c2ccccc21)C(Cl)Cl
CC(C)n1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)nc2ccccc2c1=O Clc1ccc(nc1)[*:1] CC(C)n1c(nc2ccccc2c1=O)S[C@@H](C)C(=O)N[*:1]
CC(C)n1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)nc2ccccc2c1=O CC(C)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)Nc1ccc(Cl)cn1
CCCCCC[C@H](O)C[NH+](C)C CCCC[*:1] C[NH+](C)C[C@@H](O)CC[*:1]
CCCCCC[C@H](O)C[NH+](C)C CCC[*:1] C[NH+](C)C[C@@H](O)CCC[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)s1 CCc1nnc(s1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(C)o1)[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)s1 Cc1ccc(cc1)C(=O)[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C([C@@H]1c1ccc(C)o1)[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)s1 Cc1ccc(o1)[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@H]1[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)s1 Cc1ccc(cc1)[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(C)o1
C[C@@H]1CC(N(C)[C@@H](c2ccccc2)C(F)(F)F)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)N(C)[C@@H](C(F)(F)F)[*:1]
C[C@@H]1CC(N(C)[C@@H](c2ccccc2)C(F)(F)F)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@@H]1CC(C[C@@H](C)O1)N(C)[C@@H](c1ccccc1)[*:1]
Cc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)o1 Cc1nnc(C[*:1])o1 Cc1ccc(cc1C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)[*:1])[C@@H]3C1=O
Cc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)o1 Cc1ccc(cc1C)C[*:1] Cc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C(=O)[C@@H]24)[*:1])O3)o1
Cc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)o1 Cc1nnc(o1)[*:1] Cc1ccc(cc1C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)C[*:1])[C@@H]3C1=O
Cc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)o1 Cc1ccc(cc1C)[*:1] Cc1nnc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C[*:1])C(=O)[C@@H]24)O3)o1
Cc1ccc(CN(C)C(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1 Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)Cn1cnc2c(oc3ccccc32)c1=O
Cc1ccc(CN(C)C(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1 Cc1ccc(cc1)C[*:1] CN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)[*:1]
C[C@]1(C(F)(F)F)NC(=O)N(CC2(CS)CC2)C1=O SCC1(CC1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)C(F)(F)F
C[C@]1(C(F)(F)F)NC(=O)N(CC2(CS)CC2)C1=O FC(F)(F)[*:1] C[C@@]1(NC(=O)N(CC2(CS)CC2)C1=O)[*:1]
C[C@]1(C(F)(F)F)NC(=O)N(CC2(CS)CC2)C1=O SCC1(CC1)C[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])C(F)(F)F
COc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)[C@@H](NCc1cccc(-c2nc(C)n[nH]2)c1)c1ccc(F)cc1 COC(=O)[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CN[C@@H](c1ccc(F)cc1)[*:1]
COC(=O)[C@@H](NCc1cccc(-c2nc(C)n[nH]2)c1)c1ccc(F)cc1 Cc1n[nH]c(n1)[*:1] COC(=O)[C@@H](NCc1cccc(c1)[*:1])c1ccc(F)cc1
COC(=O)[C@@H](NCc1cccc(-c2nc(C)n[nH]2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H](NCc1cccc(c1)-c1nc(C)n[nH]1)[*:1]
Cc1cc(C)c2[nH]c(-c3ccccc3)cc(=O)c2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2[nH]c(cc(=O)c2c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cncc(Br)c1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)COC(=O)c1cncc(Br)c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cncc(Br)c1 Brc1cncc(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)[*:1]
CC1=C2C(=O)CC(C)(C)CC2=N[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC1=C2C(=O)CC(C)(C)CC2=N[C@H]1[*:1]
Cc1c2c([nH]c(=O)c1C(=O)[O-])CC(C)(C)CC2=O O=C([O-])[*:1] Cc1c2C(=O)CC(C)(C)Cc2[nH]c(=O)c1[*:1]
COc1ccc(Cl)c(NNC(=O)Cc2ccc(NC(C)=O)cc2)c1 CC(=O)N[*:1] COc1ccc(Cl)c(c1)NNC(=O)Cc1ccc(cc1)[*:1]
CC(=O)Nc1nc(COc2ccc(C(C)=O)c(F)c2)cs1 CC(=O)[*:1] CC(=O)Nc1nc(cs1)COc1ccc(c(F)c1)[*:1]
CC(=O)Nc1nc(COc2ccc(C(C)=O)c(F)c2)cs1 CC(=O)N[*:1] CC(=O)c1ccc(cc1F)OCc1csc(n1)[*:1]
CN(C(=O)C1CC1)c1ccccc1C(=O)NCc1nc2ccc(F)cc2[nH]1 CN(C(=O)C1CC1)[*:1] O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccccc1[*:1]
CN(C(=O)C1CC1)c1ccccc1C(=O)NCc1nc2ccc(F)cc2[nH]1 C1CC1[*:1] CN(C(=O)[*:1])c1ccccc1C(=O)NCc1nc2ccc(F)cc2[nH]1
CN1CCO[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]21 O=[N+]([O-])[*:1] CN1CCO[C@H]2CN(Cc3ccc(o3)-c3ccccc3[*:1])C[C@@H]21
O=C(COc1ccc(Br)cc1)N(CC1CC1)CC1CC1 C1CC1C[*:1] O=C(COc1ccc(Br)cc1)N(CC1CC1)[*:1]
O=C(COc1ccc(Br)cc1)N(CC1CC1)CC1CC1 C1CC1[*:1] O=C(COc1ccc(Br)cc1)N(CC1CC1)C[*:1]
Cc1ccc(/C=C2\N=C(c3ccccc3[N+](=O)[O-])OC2=O)o1 O=[N+]([O-])[*:1] Cc1ccc(/C=C2\N=C(OC2=O)c2ccccc2[*:1])o1
Cc1ccc(/C=C2\N=C(c3ccccc3[N+](=O)[O-])OC2=O)o1 Cc1ccc(o1)[*:1] O=C1OC(=NC1=C[*:1])c1ccccc1[N+](=O)[O-]
CCOC(=O)c1ccc(C(=O)c2cccnc2Cl)s1 CCOC(=O)[*:1] O=C(c1ccc(s1)[*:1])c1cccnc1Cl
CS(=O)(=O)CCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 CS(=O)(=O)C[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccc(Br)o1)NC[*:1]
CS(=O)(=O)CCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 Brc1ccc(o1)[*:1] CS(=O)(=O)CCNC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CS(=O)(=O)CCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 CS(=O)(=O)CC[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccc(Br)o1)N[*:1]
CS(=O)(=O)CCNC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 CS(=O)(=O)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccc(Br)o1)NCC[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@@H](O)C1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)N1CC[C@@H](C)[C@@H](O)C1)[*:1]
C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2)CC1 FC(F)(F)[*:1] C[C@@H](C(=O)Nc1ccc(Cl)cc1[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(CC1)S(=O)(=O)[*:1]
COc1cc(OC)c(NC(=O)COc2cccc(C(C)C)c2)cc1F CC(C)[*:1] COc1cc(OC)c(cc1F)NC(=O)COc1cccc(c1)[*:1]
NC(=O)Nc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] NC(=O)Nc1ccc(cc1)C(=O)N1C[C@@H](O)C[C@H]1[*:1]
NC(=O)Nc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 NC(=O)N[*:1] O=C([O-])[C@H]1C[C@H](O)CN1C(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1 CC(=O)N[*:1] O=C(NCc1ccccn1)c1cc(nc2ccccc12)-c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1 c1ccc(C[*:1])nc1 CC(=O)Nc1ccc(cc1)-c1cc(C(=O)N[*:1])c2ccccc2n1
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(NCc1ccccn1)c1cc(nc2ccccc12)[*:1]
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1 c1ccc(nc1)[*:1] CC(=O)Nc1ccc(cc1)-c1cc(C(=O)NC[*:1])c2ccccc2n1
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1 O=C(NCc1ccccn1)[*:1] CC(=O)Nc1ccc(cc1)-c1cc(c2ccccc2n1)[*:1]
Cc1cc(F)cc(Nc2cccc(F)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(F)cc(c1)Nc1cccc(F)c1[*:1]
COc1cccc(-c2nc(C[S@@](=O)C3CCCCC3)cs2)c1OC C1CCC(CC1)[*:1] COc1cccc(-c2nc(cs2)C[S@@](=O)[*:1])c1OC
COC(=O)c1ccc(C)cc1NC(=O)NCCc1nc2cccnc2n1-c1ccccc1 COC(=O)[*:1] Cc1ccc(c(c1)NC(=O)NCCc1nc2cccnc2n1-c1ccccc1)[*:1]
COC(=O)c1ccc(C)cc1NC(=O)NCCc1nc2cccnc2n1-c1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(C)cc1NC(=O)NCCc1nc2cccnc2n1[*:1]
CCc1ccc(O)c(C(=O)N2CCOC[C@@H]2CCO)c1 OCC[*:1] CCc1ccc(O)c(c1)C(=O)N1CCOC[C@H]1[*:1]
O=[N+]([O-])c1ccc2[nH]c(NCC[C@H]3CCC[NH2+]C3)nc2c1 O=[N+]([O-])[*:1] c1cc2[nH]c(nc2cc1[*:1])NCC[C@H]1CCC[NH2+]C1
CCc1onc(C)c1NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1 CC(C)(C)C[*:1] CCc1onc(C)c1NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CCc1onc(C)c1NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1 CC(C)(C)CC(=O)N[*:1] CCc1onc(C)c1NC(=O)Cc1ccc(cc1)[*:1]
CCc1onc(C)c1NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1 CC(C)(C)[*:1] CCc1onc(C)c1NC(=O)Cc1ccc(cc1)NC(=O)C[*:1]
CCc1onc(C)c1NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1 CCc1onc(C)c1[*:1] CC(C)(C)CC(=O)Nc1ccc(cc1)CC(=O)N[*:1]
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCCc2ncnn2C)C2CC2)o1 C1CC1[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCCc2ncnn2C)[*:1])o1
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCCc2ncnn2C)C2CC2)o1 Cn1ncnc1CC[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)N[*:1])C2CC2)o1
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCCc2ncnn2C)C2CC2)o1 Cn1ncnc1C[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NC[*:1])C2CC2)o1
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCCc2ncnn2C)C2CC2)o1 Cn1ncnc1[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCC[*:1])C2CC2)o1
CC(/C=N\Nc1nc(=O)c(C)n[nH]1)=C\c1ccccc1 c1ccc(cc1)[*:1] CC(/C=N\Nc1nc(=O)c(C)n[nH]1)=C[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)NC[C@@H]1CCC[C@H](O)C1 Cc1ccccc1[*:1] C[C@H](CNC(=O)NC[C@@H]1CCC[C@H](O)C1)O[*:1]
O[C@@](CNCc1ccc(Cl)cc1)(c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O[C@@](CNCc1ccc(Cl)cc1)(c1ccc(Cl)cc1)[*:1]
O[C@@](CNCc1ccc(Cl)cc1)(c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O[C@@](CNC[*:1])(c1ccccc1)c1ccc(Cl)cc1
O[C@@](CNCc1ccc(Cl)cc1)(c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O[C@@](CN[*:1])(c1ccccc1)c1ccc(Cl)cc1
O[C@@](CNCc1ccc(Cl)cc1)(c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O[C@@](CNCc1ccc(Cl)cc1)(c1ccccc1)[*:1]
CC(C)Cn1nnnc1SCCc1ccc([N+](=O)[O-])cc1 CC(C)C[*:1] O=[N+]([O-])c1ccc(cc1)CCSc1nnnn1[*:1]
CC(C)Cn1nnnc1SCCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)Cn1nnnc1SCCc1ccc(cc1)[*:1]
CC(C)Cn1nnnc1SCCc1ccc([N+](=O)[O-])cc1 CC(C)[*:1] O=[N+]([O-])c1ccc(cc1)CCSc1nnnn1C[*:1]
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(Br)nc1C Cc1ccsc1[*:1] Cc1nc(Br)ccc1NC(=O)[C@@H]1C[C@@H]1[*:1]
C/[NH+]=C(/NCc1ccc(N2C[C@H](C)O[C@H](C)C2)[nH+]c1)N[C@@H]1C[C@H]1C C[C@@H]1C[C@H]1[*:1] C/[NH+]=C(/NCc1ccc([nH+]c1)N1C[C@H](C)O[C@H](C)C1)N[*:1]
C/[NH+]=C(/NCc1ccc(N2C[C@H](C)O[C@H](C)C2)[nH+]c1)N[C@@H]1C[C@H]1C C[C@H]1CN(C[C@@H](C)O1)[*:1] C/[NH+]=C(/NCc1ccc([nH+]c1)[*:1])N[C@@H]1C[C@H]1C
C[C@@]1(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC1(Cl)Cl Fc1ccc(cc1F)[*:1] C[C@]1(CC1(Cl)Cl)C(=O)N1CCN(CC1)C(=O)[*:1]
O=Cc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=Cc1ccc(F)c(c1)[*:1]
Cc1nc(S(=O)(=O)Oc2ccc3ccccc3c2C=O)cn1C Cc1nc(cn1C)[*:1] O=Cc1c(ccc2ccccc12)OS(=O)(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 CCN(CC)S(=O)(=O)[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(cc1)[*:1]
C[NH+](C)CCN(C(=O)c1ccsc1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)CCN(C(=O)c1ccsc1)[*:1]
C[NH+](C)CCN(C(=O)c1ccsc1)c1ccccc1 c1cc(cs1)[*:1] C[NH+](C)CCN(C(=O)[*:1])c1ccccc1
CNC(=O)[C@H]1CCCCN1c1nc(Br)cs1 CNC(=O)[*:1] Brc1csc(n1)N1CCCC[C@@H]1[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@@H]1CC[C@@H]([NH+](C)C)C1 c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1CN[C@@H]1CC[C@H](C1)[NH+](C)C)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@@H]1CC[C@@H]([NH+](C)C)C1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1CN[C@@H]1CC[C@H](C1)[NH+](C)C
COC(=O)c1cncc(N2CCC(CC[NH3+])CC2)n1 COC(=O)[*:1] [NH3+]CCC1CCN(CC1)c1cncc(n1)[*:1]
COC(=O)c1cncc(N2CCC(CC[NH3+])CC2)n1 [NH3+]CC[*:1] COC(=O)c1cncc(n1)N1CCC(CC1)[*:1]
CCOC(=O)CCCNC(=O)C1CCCCCC1 CCOC(=O)C[*:1] O=C(NCC[*:1])C1CCCCCC1
CCOC(=O)CCCNC(=O)C1CCCCCC1 CCOC(=O)[*:1] O=C(NCCC[*:1])C1CCCCCC1
Cc1nc2sccc2c(=O)n1NC(=O)Cc1ccon1 c1cc(no1)[*:1] Cc1nc2sccc2c(=O)n1NC(=O)C[*:1]
Cc1nc2sccc2c(=O)n1NC(=O)Cc1ccon1 c1cc(C[*:1])no1 Cc1nc2sccc2c(=O)n1NC(=O)[*:1]
CCOC(=O)C1=C(C)[C@H](S(=O)(=O)[N-]c2cccc(C)c2)C(C)=N1 Cc1cccc(c1)[*:1] CCOC(=O)C1N=C(C)[C@H](C=1C)S(=O)(=O)[N-][*:1]
CCOC(=O)C1=C(C)[C@H](S(=O)(=O)[N-]c2cccc(C)c2)C(C)=N1 CCOC(=O)[*:1] CC1=NC(=C(C)[C@@H]1S(=O)(=O)[N-]c1cccc(C)c1)[*:1]
COc1cccc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1F Fc1ccccc1[*:1] COc1cccc(C(=O)N[C@H]2CCN(C2=O)[*:1])c1F
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)[C@H](C)O[*:1]
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 Cc1ccc(cc1)O[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)[C@H](C)[*:1]
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)Nc1ccc(C)c(c1)[*:1]
COc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(C)sc1C)CCCO2 Cc1nc(c(C)s1)[*:1] COc1ccc2OCCC[C@H]([NH2+]C[*:1])c2c1
COc1ncccc1CNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 COc1ncccc1C[*:1] O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)N[*:1]
COc1ncccc1CNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ncccc1CNC(=O)N[C@@H](c1ccccc1)[*:1]
COc1ncccc1CNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 COc1ncccc1[*:1] O=C(NC[*:1])N[C@@H](c1ccccc1)c1cccc(F)c1
COc1ncccc1CNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] COc1ncccc1CNC(=O)N[C@@H](c1cccc(F)c1)[*:1]
C[C@H](N[C@@H]1N=NC(=O)NC1=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](N[C@@H]1N=NC(=O)NC1=O)C(=O)NN=C[*:1]
CC1(C)[C@@H](CC#N)C[C@H]1C(=O)/C=C/c1ccc(Cl)cc1 N#CC[*:1] CC1(C)[C@@H](C[C@H]1[*:1])C(=O)/C=C/c1ccc(Cl)cc1
C[C@@H](NC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2F)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cccc(c1)NC(=S)NC(=O)c1ccccc1F)[*:1]
C[C@@H](NC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2F)c1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(N[*:1])c1cccc(c1)NC(=S)NC(=O)c1ccccc1F
C[C@@H](NC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2F)c1)c1ccccc1 Fc1ccccc1[*:1] C[C@@H](NC(=O)c1cccc(c1)NC(=S)NC(=O)[*:1])c1ccccc1
O=C([O-])c1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c1 c1ccc(C[*:1])nc1 O=C([O-])c1cccc(c1)-c1cc(nc2[nH]ccc12)N[*:1]
O=C([O-])c1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c1 c1ccc(CN[*:1])nc1 O=C([O-])c1cccc(c1)-c1cc(nc2[nH]ccc12)[*:1]
O=C([O-])c1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c1 O=C([O-])[*:1] c1ccc(CNc2cc(-c3cccc(c3)[*:1])c3cc[nH]c3n2)nc1
O=C([O-])c1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c1 c1ccc(nc1)[*:1] O=C([O-])c1cccc(c1)-c1cc(nc2[nH]ccc12)NC[*:1]
CC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 CC(=O)N[*:1] Cc1ccc(c(C)c1)-n1nc2CSCc2c1[*:1]
C[C@H](NC(=O)CN1C(=O)CC2(CCCC2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CN1C(=O)CC2(CCCC2)C1=O)[*:1]
C[C@H]1CCC[C@@H](C[NH3+])N1C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@H]1CCC[C@@H](C[NH3+])N1C(=O)N[*:1]
C[C@H](CNC(=O)N[C@H]1CCC[C@@H]1CO)Oc1ccccc1F Fc1ccccc1[*:1] C[C@H](CNC(=O)N[C@H]1CCC[C@@H]1CO)O[*:1]
CN(C)S(=O)(=O)c1ccc2c(c1)c(C(N)=O)cn2C CN(C)S(=O)(=O)[*:1] Cn1cc(C(N)=O)c2cc(ccc21)[*:1]
CN(C)S(=O)(=O)c1ccc2c(c1)c(C(N)=O)cn2C NC(=O)[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)c(cn2C)[*:1]
O=C(Cc1ccccc1)NCc1nnc2n1CCN([C@@H]1CCSC1)CC2 c1ccc(cc1)[*:1] O=C(C[*:1])NCc1nnc2CCN(CCn21)[C@@H]1CCSC1
O=C(Cc1ccccc1)NCc1nnc2n1CCN([C@@H]1CCSC1)CC2 c1ccc(cc1)C[*:1] O=C(NCc1nnc2CCN(CCn21)[C@@H]1CCSC1)[*:1]
Cc1c(Cl)cccc1Nc1ncnc(NC[C@@H]2CCCO2)c1N C1CO[C@@H](C1)C[*:1] Cc1c(Cl)cccc1Nc1ncnc(N[*:1])c1N
Cc1c(Cl)cccc1Nc1ncnc(NC[C@@H]2CCCO2)c1N C1CO[C@@H](C1)[*:1] Cc1c(Cl)cccc1Nc1ncnc(NC[*:1])c1N
Cc1c(Cl)cccc1Nc1ncnc(NC[C@@H]2CCCO2)c1N C1CO[C@@H](C1)CN[*:1] Cc1c(Cl)cccc1Nc1ncnc(c1N)[*:1]
CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 Cc1cccc(c1)C[*:1] CCOc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 Cc1cccc(c1)[*:1] CCOc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 CCOc1ccc(cc1)[*:1] Cc1cccc(c1)Cn1c(=O)c2c(nc3N(CCn32)[*:1])n(C)c1=O
CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 CCO[*:1] Cc1cccc(c1)Cn1c(=O)c2c(nc3N(CCn32)c2ccc(cc2)[*:1])n(C)c1=O
Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1ccccc1C(N)=O NC(=O)[*:1] Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1ccccc1[*:1]
CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CCS(=O)(=O)N(C)c1ccc(cc1)C(=O)N[*:1]
CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(C)c2)cc1 CCS(=O)(=O)N(C)[*:1] Cc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)C(=O)N1CCC[C@@H]1[*:1]
C[C@H](NC(=O)NNC(=O)Cc1ccncc1)C1CCCCC1 c1cc(ccn1)[*:1] C[C@H](NC(=O)NNC(=O)C[*:1])C1CCCCC1
C[C@H](NC(=O)NNC(=O)Cc1ccncc1)C1CCCCC1 c1cc(ccn1)C[*:1] C[C@H](NC(=O)NNC(=O)[*:1])C1CCCCC1
C[C@H](NC(=O)NNC(=O)Cc1ccncc1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)NNC(=O)Cc1ccncc1)[*:1]
CCOC(=O)c1ccc(NC(=O)c2cn(C)c3c(F)cccc3c2=O)cc1 CCOC(=O)[*:1] Cn1cc(C(=O)Nc2ccc(cc2)[*:1])c(=O)c2cccc(F)c21
CCCc1nc(C(=O)NCc2cccc(C(N)=O)c2)n[nH]1 NC(=O)[*:1] CCCc1nc(n[nH]1)C(=O)NCc1cccc(c1)[*:1]
CCCc1nc(C(=O)NCc2cccc(C(N)=O)c2)n[nH]1 CCC[*:1] NC(=O)c1cccc(c1)CNC(=O)c1n[nH]c(n1)[*:1]
O=C([O-])CNC(=O)OCC1=Cc2ccccc2S1(=O)=O O=C([O-])[*:1] O=C(NC[*:1])OCC1=Cc2ccccc2S1(=O)=O
O=C([O-])CNC(=O)OCC1=Cc2ccccc2S1(=O)=O O=C([O-])C[*:1] O=C(N[*:1])OCC1=Cc2ccccc2S1(=O)=O
O=C([C@H]1CN(C(=O)CCc2nc(-c3ccccc3)no2)c2ccccc2O1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(CCc1nc(no1)-c1ccccc1)N1C[C@@H](Oc2ccccc21)[*:1]
O=C([C@H]1CN(C(=O)CCc2nc(-c3ccccc3)no2)c2ccccc2O1)N1CCOCC1 c1ccc(cc1)-c1noc(n1)[*:1] O=C([C@H]1CN(C(=O)CC[*:1])c2ccccc2O1)N1CCOCC1
O=C([C@H]1CN(C(=O)CCc2nc(-c3ccccc3)no2)c2ccccc2O1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@H]1CN(C(=O)CCc2nc(no2)[*:1])c2ccccc2O1)N1CCOCC1
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@H](C)CC(=O)N(C)[*:1]
Cc1cc(F)cc(S(=O)(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c1 Cc1cc(F)cc(c1)[*:1] C[C@@H]1CN(CCO1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(F)cc(S(=O)(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c1 C[C@@H]1CN(CCO1)[*:1] Cc1cc(F)cc(c1)S(=O)(=O)N1CCC(CC1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)CSc3ncn[nH]3)CC2)c(F)c1 c1n[nH]c(n1)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)CS[*:1]
CC(=O)c1ccc(N2CCN(C(=O)CSc3ncn[nH]3)CC2)c(F)c1 c1n[nH]c(n1)S[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)C[*:1]
CC(=O)c1ccc(N2CCN(C(=O)CSc3ncn[nH]3)CC2)c(F)c1 c1n[nH]c(n1)SC[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)CSc3ncn[nH]3)CC2)c(F)c1 CC(=O)[*:1] O=C(CSc1ncn[nH]1)N1CCN(CC1)c1ccc(cc1F)[*:1]
CC(C)[C@@H](O)CCNC(=O)c1cc2ccccc2cc1O CC(C)[C@@H](O)CC[*:1] O=C(N[*:1])c1cc2ccccc2cc1O
CC(C)[C@@H](O)CCNC(=O)c1cc2ccccc2cc1O CC(C)[C@@H](O)C[*:1] O=C(NC[*:1])c1cc2ccccc2cc1O
CC(C)[C@@H](O)CCNC(=O)c1cc2ccccc2cc1O CC(C)[*:1] O=C(NCC[C@H](O)[*:1])c1cc2ccccc2cc1O
CC(C)[C@@H](O)CCNC(=O)c1cc2ccccc2cc1O CC(C)[C@@H](O)[*:1] O=C(NCC[*:1])c1cc2ccccc2cc1O
Cn1ncnc1CCNS(=O)(=O)c1cccc(C#N)c1 Cn1ncnc1[*:1] N#Cc1cccc(c1)S(=O)(=O)NCC[*:1]
CCCN(CC1CC1)C(=O)NC1CC[NH+](C)CC1 C1CC1C[*:1] CCCN(C(=O)NC1CC[NH+](C)CC1)[*:1]
CCCN(CC1CC1)C(=O)NC1CC[NH+](C)CC1 CCC[*:1] C[NH+]1CCC(CC1)NC(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)NC1CC[NH+](C)CC1 C1CC1[*:1] CCCN(C[*:1])C(=O)NC1CC[NH+](C)CC1
Cc1ccc(C(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)s1 Cc1ccc(s1)[*:1] O=C(CCC(=O)N1CCN(CC1)C(=O)[*:1])c1ccccc1
Cc1ccc(C(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)CCC(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)s1 O=C(c1ccccc1)[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)CC[*:1]
N#C/C(=C\c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)NCc1ccco1 c1coc(c1)[*:1] N#C/C(=C\c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)NC[*:1]
N#C/C(=C\c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] N#C/C(=C\c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)N[*:1]
N#C/C(=C\c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)NCc1ccco1 Clc1ccc(cc1)[*:1] N#C/C(=C\c1c[nH]nc1[*:1])C(=O)NCc1ccco1
Cc1noc(C)c1C[C@H](C)NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1[*:1] Cc1noc(C)c1C[C@H](C)NC(=O)c1cccc(c1)-c1noc(n1)[*:1]
Cc1noc(C)c1C[C@H](C)NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1c1nc(no1)[*:1] Cc1noc(C)c1C[C@H](C)NC(=O)c1cccc(c1)[*:1]
Cc1noc(C)c1C[C@H](C)NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 Cc1noc(C)c1[*:1] C[C@@H](C[*:1])NC(=O)c1cccc(c1)-c1noc(n1)C1CC1
Cc1noc(C)c1C[C@H](C)NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 Cc1noc(C)c1C[*:1] C[C@H](NC(=O)c1cccc(c1)-c1noc(n1)C1CC1)[*:1]
COc1ccccc1CCNC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCCC3)ccc2N1C(C)=O O=S(=O)(N1CCCC1)[*:1] COc1ccccc1CCNC(=O)[C@H]1Cc2cc(ccc2N1C(C)=O)[*:1]
COc1ccccc1CCNC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCCC3)ccc2N1C(C)=O COc1ccccc1C[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C(=O)NC[*:1])S(=O)(=O)N1CCCC1
COc1ccccc1CCNC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCCC3)ccc2N1C(C)=O COc1ccccc1CC[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C(=O)N[*:1])S(=O)(=O)N1CCCC1
COc1ccccc1CCNC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCCC3)ccc2N1C(C)=O COc1ccccc1[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C(=O)NCC[*:1])S(=O)(=O)N1CCCC1
COc1cc([C@H]2CN3C(=O)CNC(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[C@H]1CN2C(=O)CNC(=O)[C@]2(C)c2[nH]c3ccccc3c21
COc1cc([C@H]2CN3C(=O)CNC(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[C@H]1CN2C(=O)CNC(=O)[C@]2(C)c2[nH]c3ccccc3c21
C=CCc1ccccc1Oc1nc(C2CC2)ns1 C=CC[*:1] c1ccc(c(c1)Oc1nc(ns1)C1CC1)[*:1]
C=CCc1ccccc1Oc1nc(C2CC2)ns1 C1CC1[*:1] C=CCc1ccccc1Oc1nc(ns1)[*:1]
CC(=O)NCc1ccc(-c2csc(-c3ccc(C)cc3C)n2)o1 CC(=O)N[*:1] Cc1ccc(-c2nc(cs2)-c2ccc(C[*:1])o2)c(C)c1
CC(=O)NCc1ccc(-c2csc(-c3ccc(C)cc3C)n2)o1 CC(=O)NC[*:1] Cc1ccc(-c2nc(cs2)-c2ccc(o2)[*:1])c(C)c1
C/C(=N/Nc1ccc(C(=O)[O-])cc1)c1ccc(-n2cncn2)cc1 O=C([O-])[*:1] C/C(=N/Nc1ccc(cc1)[*:1])c1ccc(cc1)-n1cncn1
C/C(=N/Nc1ccc(C(=O)[O-])cc1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C/C(=N/Nc1ccc(cc1)C(=O)[O-])c1ccc(cc1)[*:1]
O=S(=O)(NCCSc1nccn1-c1ccc(Br)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCCSc1nccn1-c1ccc(Br)cc1)[*:1]
O=S(=O)(NCCSc1nccn1-c1ccc(Br)cc1)c1ccccc1 Brc1ccc(cc1)[*:1] O=S(=O)(NCCSc1nccn1[*:1])c1ccccc1
CC(=O)Nc1cccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2C)c1 CC(=O)N[*:1] Cc1ccccc1[C@H](C)NC(=O)COC(=O)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2C)c1 Cc1ccccc1[*:1] CC(=O)Nc1cccc(c1)C(=O)OCC(=O)N[C@@H](C)[*:1]
Cc1cc(C)cc(NC(=O)Nc2cn(C)c(=O)c3ccccc23)c1 Cc1cc(C)cc(c1)[*:1] Cn1cc(NC(=O)N[*:1])c2ccccc2c1=O
O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O c1ccc(cc1)C[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)NC[*:1])c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O O=C(NCc1ccccc1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
C[C@H]1CCN(C(=O)CC2(O)CCCC2)[C@@H]2CCCC[C@H]12 OC1(CCCC1)[*:1] C[C@H]1CCN(C(=O)C[*:1])[C@@H]2CCCC[C@H]12
CNc1cc(C(=O)N2C[C@H](c3cccc(OC)c3)[C@@H]([NH3+])C2)ccn1 COc1cccc(c1)[*:1] CNc1cc(ccn1)C(=O)N1C[C@H]([C@@H]([NH3+])C1)[*:1]
CNc1cc(C(=O)N2C[C@H](c3cccc(OC)c3)[C@@H]([NH3+])C2)ccn1 CNc1cc(ccn1)[*:1] COc1cccc(c1)[C@H]1CN(C[C@@H]1[NH3+])C(=O)[*:1]
CCOC(=O)c1c(/N=C/c2ccc(C)o2)sc2c1CCC2 Cc1ccc(o1)[*:1] CCOC(=O)c1c(N=C[*:1])sc2CCCc21
CCOC(=O)c1c(/N=C/c2ccc(C)o2)sc2c1CCC2 CCOC(=O)[*:1] Cc1ccc(/C=N/c2sc3CCCc3c2[*:1])o1
CCOC(=O)c1c(C)nsc1NC(=O)c1csc(C)c1C CCOC(=O)[*:1] Cc1nsc(NC(=O)c2csc(C)c2C)c1[*:1]
CCOC(=O)c1c(C)nsc1NC(=O)c1csc(C)c1C Cc1scc(c1C)[*:1] CCOC(=O)c1c(C)nsc1NC(=O)[*:1]
Cc1cccc(C(C)(C)[NH2+]Cc2ccc(-c3cccnc3)o2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)C(C)(C)[NH2+]Cc1ccc(o1)[*:1]
Cc1cccc(C(C)(C)[NH2+]Cc2ccc(-c3cccnc3)o2)c1 Cc1cccc(c1)[*:1] CC(C)([NH2+]Cc1ccc(o1)-c1cccnc1)[*:1]
O=C(CSc1ccccc1C(=O)N1CCN(C(=O)C2CC2)CC1)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=C(c1ccccc1SC[*:1])N1CCN(CC1)C(=O)C1CC1
O=C(CSc1ccccc1C(=O)N1CCN(C(=O)C2CC2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1ccccc1C(=O)N1CCN(CC1)C(=O)C1CC1)N[*:1]
O=C(CSc1ccccc1C(=O)N1CCN(C(=O)C2CC2)CC1)Nc1ccc(F)cc1 C1CC1[*:1] O=C(CSc1ccccc1C(=O)N1CCN(CC1)C(=O)[*:1])Nc1ccc(F)cc1
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCCc2cccc(C(N)=O)c2)C1 NC(=O)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCCc1cccc(c1)[*:1]
CN(CC(C)(CO)CO)c1ccc2nnc(C3CC3)n2n1 C1CC1[*:1] CN(CC(C)(CO)CO)c1ccc2nnc(n2n1)[*:1]
CN(CC(C)(CO)CO)c1ccc2nnc(C3CC3)n2n1 CC(CO)(CO)[*:1] CN(C[*:1])c1ccc2nnc(C3CC3)n2n1
CN(CC(C)(CO)CO)c1ccc2nnc(C3CC3)n2n1 CC(CO)(CO)C[*:1] CN(c1ccc2nnc(C3CC3)n2n1)[*:1]
CN(Cc1cc(Cl)cn1C)C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] CN(Cc1cc(Cl)cn1C)C(=O)NCc1ccnc(c1)O[*:1]
CN(Cc1cc(Cl)cn1C)C(=O)NCc1ccnc(OC2CCC2)c1 Cn1cc(Cl)cc1[*:1] CN(C[*:1])C(=O)NCc1ccnc(c1)OC1CCC1
CN(Cc1cc(Cl)cn1C)C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] CN(Cc1cc(Cl)cn1C)C(=O)NCc1ccnc(c1)[*:1]
CN(Cc1cc(Cl)cn1C)C(=O)NCc1ccnc(OC2CCC2)c1 Cn1cc(Cl)cc1C[*:1] CN(C(=O)NCc1ccnc(c1)OC1CCC1)[*:1]
O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)N1CCC[C@H](CO)C1 C1CCC(C1)O[*:1] O=C(N[C@H]1CCCC[C@@H]1[*:1])N1CCC[C@H](CO)C1
O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)N1CCC[C@H](CO)C1 C1CCC(C1)[*:1] O=C(N[C@H]1CCCC[C@H]1O[*:1])N1CCC[C@H](CO)C1
Cc1cc(Br)ccc1NC(=O)Nc1cnn(CC(F)F)c1 FC(F)C[*:1] Cc1cc(Br)ccc1NC(=O)Nc1cnn(c1)[*:1]
Cc1cc(Br)ccc1NC(=O)Nc1cnn(CC(F)F)c1 FC(F)[*:1] Cc1cc(Br)ccc1NC(=O)Nc1cnn(c1)C[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC(CC1)[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC(CC1)O[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC(CC1)OC[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC(OCc2ccccc2F)CC1 Cc1nn(C)c(Cl)c1[*:1] O=C(C=C[*:1])N1CCC(CC1)OCc1ccccc1F
CCc1cc(Sc2nnc(N(C)C)s2)nc(-c2ccccn2)n1 CN(C)[*:1] CCc1cc(nc(n1)-c1ccccn1)Sc1nnc(s1)[*:1]
CCc1cc(Sc2nnc(N(C)C)s2)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CCc1cc(nc(n1)[*:1])Sc1nnc(s1)N(C)C
CNC(=O)c1ccc(NC(=O)N(C)Cc2nc3ccccc3s2)cc1 CNC(=O)[*:1] CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(cc1)[*:1]
CC[NH2+][C@H]([C@@H]1CC[C@H](C)[C@H](C)C1)C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] CC[NH2+][C@H]([C@@H]1CC[C@H](C)[C@H](C)C1)C(C)(C)[*:1]
C[C@@](O)(CNC(=O)CSCc1ccccc1)C1CC1 C1CC1[*:1] C[C@@](O)(CNC(=O)CSCc1ccccc1)[*:1]
C[C@@](O)(CNC(=O)CSCc1ccccc1)C1CC1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)CSC[*:1])C1CC1
Cc1cc([C@@H](C)[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)c(C)s1 Fc1ccc(cc1)[*:1] Cc1cc(c(C)s1)[C@@H](C)[NH2+]Cc1cnn(c1)[*:1]
Cc1cc([C@@H](C)[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H]([NH2+]Cc1cnn(c1)-c1ccc(F)cc1)[*:1]
CN(CC[NH+](C)C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CN(CC[NH+](C)C)C(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(nn21)[*:1]
CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21 CCO[*:1] O=C(C[C@H]1C(=O)Nc2nc(nn21)-c1ccccc1)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21 CCOc1ccccc1[*:1] O=C(C[C@H]1C(=O)Nc2nc(nn21)-c1ccccc1)N[*:1]
COc1ccc(C[C@]2(C)NC(=O)N(CC(C)C)C2=O)cc1 CC(C)C[*:1] COc1ccc(cc1)C[C@]1(C)NC(=O)N(C1=O)[*:1]
COc1ccc(C[C@]2(C)NC(=O)N(CC(C)C)C2=O)cc1 CC(C)[*:1] COc1ccc(cc1)C[C@]1(C)NC(=O)N(C[*:1])C1=O
CCC[C@@H](C[NH3+])[C@H](O)c1sccc1CC CCC[*:1] CCc1ccsc1[C@@H](O)[C@H](C[NH3+])[*:1]
CC(=O)Nc1cc(NCc2cccc3cn[nH]c23)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NCc1cccc2cn[nH]c12
CCc1cccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)c1 c1cnn(c1)[*:1] CCc1cccc(c1)NC(=O)NCCNc1ccc(nn1)[*:1]
CCc1cccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)c1 CCc1cccc(c1)[*:1] O=C(NCCNc1ccc(nn1)-n1cccn1)N[*:1]
C[C@H](C(=O)Nc1ccccc1Cl)[C@@H]1Sc2ccccc2NC1=O Clc1ccccc1[*:1] C[C@H](C(=O)N[*:1])[C@@H]1Sc2ccccc2NC1=O
C=CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N(CC)C1 C=CC[*:1] CCN1C[C@@H](CCC1=O)C(=O)N(Cc1ccccc1Cl)[*:1]
C=CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N(CC)C1 Clc1ccccc1[*:1] C=CCN(C[*:1])C(=O)[C@@H]1CCC(=O)N(CC)C1
CCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC CCO[*:1] COc1cc(/C=N/NC(=O)c2ccncc2)ccc1[*:1]
CCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC c1cc(ccn1)[*:1] CCOc1ccc(/C=N/NC(=O)[*:1])cc1OC
CCc1ccccc1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] CCc1ccccc1[*:1] O=C(CO[*:1])N/N=C/c1ccccc1[N+](=O)[O-]
CCc1ccccc1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccccc1OCC(=O)N/N=C/c1ccccc1[*:1]
CCOc1ccc(CCNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 CCO[*:1] O=C(NCCc1ccc(cc1)[*:1])c1cc(nc2ccccc12)-c1ccccn1
CCOc1ccc(CCNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 c1ccc(nc1)[*:1] CCOc1ccc(cc1)CCNC(=O)c1cc(nc2ccccc12)[*:1]
CCOc1ccc(CCNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 CCOc1ccc(cc1)C[*:1] O=C(NC[*:1])c1cc(nc2ccccc12)-c1ccccn1
CCOc1ccc(CCNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 CCOc1ccc(cc1)[*:1] O=C(NCC[*:1])c1cc(nc2ccccc12)-c1ccccn1
C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1OCc1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1OC[*:1]
C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1OCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1O[*:1]
C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1[*:1]
Cc1nnc(CN(C)Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)o1 Cc1nnc(CN(C)[*:1])o1 Cn1cc(C[*:1])c(n1)-c1ccc(cc1)C1CCCCC1
Cc1nnc(CN(C)Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)o1 Cc1nnc(C[*:1])o1 CN(Cc1cn(C)nc1-c1ccc(cc1)C1CCCCC1)[*:1]
Cc1nnc(CN(C)Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)o1 C1CCC(CC1)[*:1] Cc1nnc(CN(C)Cc2cn(C)nc2-c2ccc(cc2)[*:1])o1
Cc1nnc(CN(C)Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)o1 Cc1nnc(o1)[*:1] CN(Cc1cn(C)nc1-c1ccc(cc1)C1CCCCC1)C[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)COc3cc(C)ccc3C)C2)c1 CCOC(=O)[*:1] Cc1ccc(C)c(c1)OCC(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)COc3cc(C)ccc3C)C2)c1 Cc1ccc(C)c(c1)O[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)C[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)COc3cc(C)ccc3C)C2)c1 Cc1ccc(C)c(c1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)CO[*:1]
Cc1noc2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)CC(C)C)c12 CC(C)C[C@H](C)[*:1] Cc1noc2nc(cc(C(=O)N(C)[*:1])c12)C1CC1
Cc1noc2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)CC(C)C)c12 C1CC1[*:1] Cc1noc2nc(cc(C(=O)N(C)[C@@H](C)CC(C)C)c12)[*:1]
Cc1noc2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)CC(C)C)c12 CC(C)[*:1] Cc1noc2nc(cc(C(=O)N(C)[C@@H](C)C[*:1])c12)C1CC1
Cc1noc2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)CC(C)C)c12 CC(C)C[*:1] Cc1noc2nc(cc(C(=O)N(C)[C@@H](C)[*:1])c12)C1CC1
N#Cc1csc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 Clc1ccccc1[*:1] N#Cc1csc(c1)C(=O)Nc1nnc(s1)[*:1]
N#Cc1csc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 N#Cc1csc(c1)[*:1] O=C(Nc1nnc(s1)-c1ccccc1Cl)[*:1]
COc1cc(/C=c2\c(=O)nc3sc(=C(C)C)[nH]n-3c2=N)ccc1OCc1ccccc1Cl Clc1ccccc1C[*:1] COc1cc(/C=c2\c(=O)nc3sc([nH]n-3c2=N)=C(C)C)ccc1O[*:1]
COc1cc(/C=c2\c(=O)nc3sc(=C(C)C)[nH]n-3c2=N)ccc1OCc1ccccc1Cl Clc1ccccc1[*:1] COc1cc(/C=c2\c(=O)nc3sc([nH]n-3c2=N)=C(C)C)ccc1OC[*:1]
COc1cc(/C=c2\c(=O)nc3sc(=C(C)C)[nH]n-3c2=N)ccc1OCc1ccccc1Cl Clc1ccccc1CO[*:1] COc1cc(/C=c2\c(=O)nc3sc([nH]n-3c2=N)=C(C)C)ccc1[*:1]
CS(=O)(=O)c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(c1)[*:1]
CS(=O)(=O)c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(NC[C@@H]([NH+]2CCCC2)[*:1])c(c1)[N+](=O)[O-]
CS(=O)(=O)c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 CS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1)[*:1]
Cc1cc2nc(COc3ccc(NC(=O)CC(C)C)cc3)cc(=O)n2o1 CC(C)C[*:1] Cc1cc2nc(cc(=O)n2o1)COc1ccc(cc1)NC(=O)[*:1]
Cc1cc2nc(COc3ccc(NC(=O)CC(C)C)cc3)cc(=O)n2o1 CC(C)CC(=O)N[*:1] Cc1cc2nc(cc(=O)n2o1)COc1ccc(cc1)[*:1]
Cc1cc2nc(COc3ccc(NC(=O)CC(C)C)cc3)cc(=O)n2o1 CC(C)[*:1] Cc1cc2nc(cc(=O)n2o1)COc1ccc(cc1)NC(=O)C[*:1]
Cn1c(SCc2cccnc2)nnc1[C@H]1CCCN(C(=O)N2CCCC2)C1 c1cncc(c1)C[*:1] Cn1c(nnc1[C@H]1CCCN(C1)C(=O)N1CCCC1)S[*:1]
Cn1c(SCc2cccnc2)nnc1[C@H]1CCCN(C(=O)N2CCCC2)C1 c1cncc(c1)[*:1] Cn1c(nnc1[C@H]1CCCN(C1)C(=O)N1CCCC1)SC[*:1]
Cn1c(SCc2cccnc2)nnc1[C@H]1CCCN(C(=O)N2CCCC2)C1 c1cncc(c1)CS[*:1] Cn1c(nnc1[*:1])[C@H]1CCCN(C1)C(=O)N1CCCC1
C/C(=N/OCc1cccc(Br)c1C)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC(=NOCc1cccc(Br)c1C)[*:1]
CN(C)c1oc(/C=N/c2ccc(O)c(C(=O)[O-])c2)cc1Br O=C([O-])[*:1] CN(C)c1oc(/C=N/c2ccc(O)c(c2)[*:1])cc1Br
CN(C)c1oc(/C=N/c2ccc(O)c(C(=O)[O-])c2)cc1Br CN(C)[*:1] O=C([O-])c1cc(ccc1O)/N=C/c1cc(Br)c(o1)[*:1]
CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cscn1 CC(C)C[*:1] O=C(NCc1cscn1)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cscn1 c1nc(cs1)C[*:1] CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cscn1 c1nc(cs1)[*:1] CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[*:1]
CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cscn1 CC(C)[*:1] O=C(NCc1cscn1)[C@@H]1Cc2ccccc2CN1C(=O)C[*:1]
O=C(NCCn1c(C2CC2)n[nH]c1=S)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] O=C(NCCn1c(n[nH]c1=S)C1CC1)c1ccc(nc1)[*:1]
O=C(NCCn1c(C2CC2)n[nH]c1=S)c1ccc(-n2cccc2)nc1 C1CC1[*:1] O=C(NCCn1c(n[nH]c1=S)[*:1])c1ccc(nc1)-n1cccc1
CCN(CC)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)[*:1] CCN(CC)C(=O)Nc1ccc(nc1)O[*:1]
CC(C)COC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1 CC(C)[*:1] O=C(OC[*:1])c1ccc(cc1)NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2
CC(C)COC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1 CC(C)C[*:1] O=C(O[*:1])c1ccc(cc1)NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2
CC(C)COC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1 O=C([O-])[*:1] CC(C)COC(=O)c1ccc(cc1)NC(=O)[C@H]1[C@@H]([C@@H]2C=C[C@H]1C2)[*:1]
CC(C)COC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1 CC(C)COC(=O)[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(cc1)[*:1]
Brc1ccc(Cn2c([C@@H]3CCCO3)nc3ccccc32)cc1 Brc1ccc(cc1)[*:1] c1ccc2c(c1)nc([C@@H]1CCCO1)n2C[*:1]
Cc1cc(F)c([C@@H](O)C(C)(C)C)cc1F CC(C)(C)[*:1] Cc1cc(F)c(cc1F)[C@@H](O)[*:1]
Cc1ccsc1C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(N)=NC1=O Cc1ccsc1C[*:1] NC1=NC(=O)[C@](N1)(c1ccc(Cl)c(Cl)c1)[*:1]
Cc1ccsc1C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(N)=NC1=O Cc1ccsc1[*:1] NC1=NC(=O)[C@@](C[*:1])(N1)c1ccc(Cl)c(Cl)c1
CCOc1ccc([C@H]2CCC[NH2+]2)c2c1CCCC2 CCO[*:1] c1cc(c2CCCCc2c1[C@H]1CCC[NH2+]1)[*:1]
COc1cc([C@@H]2CC[NH2+][C@@H]2C(=O)[O-])cc(OC)c1OC O=C([O-])[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC[NH2+][C@H]1[*:1]
Cc1csc(NC(=O)NC[C@H](CCO)c2ccccc2)n1 Cc1csc(n1)[*:1] O=C(NC[C@H](CCO)c1ccccc1)N[*:1]
Cc1csc(NC(=O)NC[C@H](CCO)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)NC[C@H](CCO)[*:1]
Cc1csc(NC(=O)NC[C@H](CCO)c2ccccc2)n1 OCC[*:1] Cc1csc(n1)NC(=O)NC[C@H](c1ccccc1)[*:1]
O=C(Nc1cccc(NC(=O)c2cccc3[nH]ccc23)c1)c1ccccc1 c1cc(c2cc[nH]c2c1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1ccccc1
O=C(Nc1cccc(NC(=O)c2cccc3[nH]ccc23)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1cccc2[nH]ccc12
O=C(Nc1cccc(NC(=O)c2cccc3[nH]ccc23)c1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(Nc1cccc(c1)[*:1])c1cccc2[nH]ccc12
Cc1cccc(NC(=S)C(=O)Nc2ccc(F)cc2C(F)(F)F)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc(F)cc1C(F)(F)F)C(=S)N[*:1]
Cc1cccc(NC(=S)C(=O)Nc2ccc(F)cc2C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cccc(c1)NC(=S)C(=O)Nc1ccc(F)cc1[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3Cl)cc2)C1 Clc1ccccc1[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
O=C(NNCCO)Nc1ccccc1 OCC[*:1] O=C(NN[*:1])Nc1ccccc1
COCC[C@@]1(C)CC[NH2+]C[C@H]1c1cccc(C)c1 COCC[*:1] Cc1cccc(c1)[C@@H]1C[NH2+]CC[C@@]1(C)[*:1]
COCC[C@@]1(C)CC[NH2+]C[C@H]1c1cccc(C)c1 COC[*:1] Cc1cccc(c1)[C@@H]1C[NH2+]CC[C@]1(C)C[*:1]
O=C(Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(Nc1cccc(Br)c1)c1ccc(o1)[*:1]
Cc1ccc(C(=O)OC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1Cl c1ccc(cc1)CC[*:1] Cc1ccc(cc1Cl)C(=O)OC[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(C(=O)OC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)C(=O)OC[C@@H]1CC(=O)N(CC[*:1])C1
Cc1ccc(C(=O)OC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C1C[C@@H](COC(=O)[*:1])CN1CCc1ccccc1
Cc1ccc(C(=O)OC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1Cl c1ccc(cc1)C[*:1] Cc1ccc(cc1Cl)C(=O)OC[C@@H]1CC(=O)N(C1)C[*:1]
C[C@H](NC(=O)c1cc(Br)cn1C)c1ccc2c(c1)OCO2 Cn1cc(Br)cc1[*:1] C[C@H](NC(=O)[*:1])c1ccc2OCOc2c1
O=C(Nc1cccc2nsnc12)c1ccc(-n2cnnc2)cc1 c1nncn1[*:1] O=C(Nc1cccc2nsnc12)c1ccc(cc1)[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)N1CCC[C@H](CC1)[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1 CN(C)C(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])N1CCC[C@@H](CC1)c1ccccc1
CN(C)C(=O)Cc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1 CN(C)C(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[C@@H](CC1)c1ccccc1
CCc1noc(CN(C)C(=O)c2c(Cl)ccc(Cl)c2Cl)n1 CCc1noc(n1)[*:1] CN(C[*:1])C(=O)c1c(Cl)ccc(Cl)c1Cl
N#Cc1c(NC(=O)CC[NH+]2CCC(NC(N)=O)CC2)sc2c1CCC2 NC(=O)N[*:1] N#Cc1c(NC(=O)CC[NH+]2CCC(CC2)[*:1])sc2CCCc21
CCC(=O)N1CCCN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] CCC(=O)N1CCCN(CC1)C(=O)N[C@@H](C)[*:1]
Cn1c(-c2nnc(SCC(=O)Nc3cccc(F)c3)o2)cc2ccccc21 Fc1cccc(c1)[*:1] Cn1c(cc2ccccc21)-c1nnc(o1)SCC(=O)N[*:1]
CCc1nc(C[NH2+][C@@H](c2ccccc2)C2CC2)cs1 C1CC1[*:1] CCc1nc(cs1)C[NH2+][C@@H](c1ccccc1)[*:1]
CCc1nc(C[NH2+][C@@H](c2ccccc2)C2CC2)cs1 c1ccc(cc1)[*:1] CCc1nc(cs1)C[NH2+][C@@H](C1CC1)[*:1]
COC(=O)C1CCN(C(=O)c2cc(-c3csc(C)n3)cn2C)CC1 COC(=O)[*:1] Cc1nc(cs1)-c1cc(C(=O)N2CCC(CC2)[*:1])n(C)c1
COC(=O)C1CCN(C(=O)c2cc(-c3csc(C)n3)cn2C)CC1 Cc1nc(cs1)[*:1] COC(=O)C1CCN(CC1)C(=O)c1cc(cn1C)[*:1]
CCC1=C(C(=O)OC)[C@H](c2cccc(F)c2)NC(=S)N1 COC(=O)[*:1] CCC1NC(=S)N[C@H](C=1[*:1])c1cccc(F)c1
CCOc1c(Br)cc(C[NH2+]C(C)(C)CC)cc1OC CCO[*:1] CCC(C)(C)[NH2+]Cc1cc(Br)c(c(c1)OC)[*:1]
CCOc1c(Br)cc(C[NH2+]C(C)(C)CC)cc1OC CCC(C)(C)[*:1] CCOc1c(Br)cc(cc1OC)C[NH2+][*:1]
COc1cccc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1O Clc1ccc(cc1)[*:1] COc1cccc(C(=O)N[C@H]2CC(=O)N(C)[C@H]2[*:1])c1O
C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@H](O)Cn3cccn3)CC2)C1 O[C@H](Cn1cccn1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)C[NH+]1CCN(CC1)C[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@H](O)Cn3cccn3)CC2)C1 c1cnn(c1)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)C[NH+]1CCN(CC1)C[C@H](O)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@H](O)Cn3cccn3)CC2)C1 c1cnn(c1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)C[NH+]1CCN(CC1)C[C@H](O)C[*:1]
CCOCCN(C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 CCO[*:1] CN(CC[*:1])C(=O)/C=C/c1ccc(Cl)c(c1)[N+](=O)[O-]
CCOCCN(C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOCCN(C)C(=O)/C=C/c1ccc(Cl)c(c1)[*:1]
CCOCCN(C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 CCOC[*:1] CN(C[*:1])C(=O)/C=C/c1ccc(Cl)c(c1)[N+](=O)[O-]
CCOCCN(C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 CCOCC[*:1] CN(C(=O)/C=C/c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
CC(C)C[C@@H](CNC(=O)c1ccc([S@](C)=O)cc1)[NH+](C)C C[S@](=O)[*:1] CC(C)C[C@@H](CNC(=O)c1ccc(cc1)[*:1])[NH+](C)C
CC(C)C[C@@H](CNC(=O)c1ccc([S@](C)=O)cc1)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(cc1)[S@](C)=O)[*:1]
CC(C)C[C@@H](CNC(=O)c1ccc([S@](C)=O)cc1)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(cc1)[S@](C)=O)C[*:1]
COc1cc2c(cc1OC)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C1=C(CC(C)(C)CC1=O)N2 O=[N+]([O-])[*:1] COc1cc2NC3CC(C)(C)CC(=O)C=3[C@@H](c2cc1OC)c1cc2OCOc2cc1[*:1]
CC[C@@H](C)[C@H](NC(=O)c1cc(C)n(C(C)C)c1C)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@H](NC(=O)c1cc(C)n(c1C)C(C)C)[*:1]
CC[C@@H](C)[C@H](NC(=O)c1cc(C)n(C(C)C)c1C)C(N)=O CC[C@@H](C)[*:1] Cc1cc(C(=O)N[C@H](C(N)=O)[*:1])c(C)n1C(C)C
CC[C@@H](C)[C@H](NC(=O)c1cc(C)n(C(C)C)c1C)C(N)=O CC(C)[*:1] CC[C@@H](C)[C@H](NC(=O)c1cc(C)n(c1C)[*:1])C(N)=O
CCCCC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CCCCC1C[C@](O)(N(N=1)C(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
CCCCC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(C(F)(F)F)C1 CCCC[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1N=C(C[C@]1(O)C(F)(F)F)[*:1]
CCCCC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(C(F)(F)F)C1 O=[N+]([O-])[*:1] CCCCC1C[C@@](O)(N(N=1)C(=O)c1cccc(c1)[*:1])C(F)(F)F
CCCCC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(C(F)(F)F)C1 CCC[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1N=C(C[C@]1(O)C(F)(F)F)C[*:1]
C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1)Cn1cc[nH+]c1 c1ccc(cc1)[*:1] C[C@H](C[NH2+]Cc1c[nH]nc1[*:1])Cn1cc[nH+]c1
O=C(Oc1ccc2c(c1)OCO2)c1coc(Br)c1 Brc1cc(co1)[*:1] O=C(Oc1ccc2OCOc2c1)[*:1]
COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cccc(C)c3)n2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)-c1ccc(=O)n(CCNS(=O)(=O)[*:1])n1
COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cccc(C)c3)n2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)NCCn1nc(ccc1=O)[*:1]
Cc1cc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)ccc1C(N)=O NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ccc(cc1)Nc1cc[nH+]cc1
COc1ccc([C@H]2CCCN2C(=O)c2cccc(OC[C@H]3CCCO3)c2)c(OC)c1 C1CO[C@H](C1)CO[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)c1cccc(c1)[*:1]
COc1ccc([C@H]2CCCN2C(=O)c2cccc(OC[C@H]3CCCO3)c2)c(OC)c1 C1CO[C@H](C1)C[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)c1cccc(c1)O[*:1]
COc1ccc([C@H]2CCCN2C(=O)c2cccc(OC[C@H]3CCCO3)c2)c(OC)c1 C1CO[C@H](C1)[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)c1cccc(c1)OC[*:1]
COc1ccc([C@H]2CCCN2C(=O)c2cccc(OC[C@H]3CCCO3)c2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(c1cccc(c1)OC[C@H]1CCCO1)N1CCC[C@@H]1[*:1]
[NH3+][C@@H](c1nc[nH]n1)[C@@H]1CCO[C@]2(CCSC2)C1 c1nc(n[nH]1)[*:1] [NH3+][C@@H]([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CC(=O)c1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 CC(=O)[*:1] O=c1c2ccccc2nc(-c2ccc(cc2)[N+](=O)[O-])n1-c1cccc(c1)[*:1]
CC(=O)c1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 O=[N+]([O-])[*:1] CC(=O)c1cccc(c1)-n1c(nc2ccccc2c1=O)-c1ccc(cc1)[*:1]
CC(=O)c1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 CC(=O)c1cccc(c1)[*:1] O=c1c2ccccc2nc(-c2ccc(cc2)[N+](=O)[O-])n1[*:1]
CC(=O)c1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)-n1c(nc2ccccc2c1=O)[*:1]
CSc1ccccc1NC(=O)CCCc1ccccc1 c1ccc(cc1)[*:1] CSc1ccccc1NC(=O)CCC[*:1]
CCc1cnc([C@@H](C)NC(=O)N(CC)CC(=O)NC(C)(C)C)s1 CC(C)(C)[*:1] CCc1cnc(s1)[C@@H](C)NC(=O)N(CC)CC(=O)N[*:1]
CCc1cnc([C@@H](C)NC(=O)N(CC)CC(=O)NC(C)(C)C)s1 CC(C)(C)NC(=O)[*:1] CCc1cnc(s1)[C@@H](C)NC(=O)N(CC)C[*:1]
CCc1cnc([C@@H](C)NC(=O)N(CC)CC(=O)NC(C)(C)C)s1 CCc1cnc(s1)[*:1] CCN(CC(=O)NC(C)(C)C)C(=O)N[C@H](C)[*:1]
CCOC(=O)c1cnc2ccc(C#N)cn12 CCOC(=O)[*:1] N#Cc1ccc2ncc(n2c1)[*:1]
CCOC(=O)CN(CC)Cc1cnc2ccc(C#N)cn12 CCOC(=O)C[*:1] CCN(Cc1cnc2ccc(C#N)cn12)[*:1]
CCOC(=O)CN(CC)Cc1cnc2ccc(C#N)cn12 CCOC(=O)[*:1] CCN(Cc1cnc2ccc(C#N)cn12)C[*:1]
CC(=O)c1ccc(NC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1 CC(=O)[*:1] CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)N(C)CC(=O)N[*:1]
Cc1cc(C(=O)Nc2ccccc2[C@@H](C)O)sc1Br C[C@@H](O)[*:1] Cc1cc(sc1Br)C(=O)Nc1ccccc1[*:1]
CC(C)[C@H](OC(=O)CN(C)c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](OC(=O)CN(C)c1ccccc1)[*:1]
CC(C)[C@H](OC(=O)CN(C)c1ccccc1)c1ccccn1 CC(C)[*:1] CN(CC(=O)O[C@H](c1ccccn1)[*:1])c1ccccc1
CC(C)[C@H](OC(=O)CN(C)c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] CC(C)[C@H](OC(=O)CN(C)[*:1])c1ccccn1
CN(C(=O)c1cc2ccccc2n1C)[C@@H]1CCCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)c1cc2ccccc2n1C)[C@@H]1CCCC[C@@H]1[*:1]
Cc1ccc(-c2csc(N3CCC[C@H](c4nncn4C(C)C)C3)n2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1csc(n1)N1CCC[C@@H](C1)c1nncn1[*:1]
Cc1ccc(-c2csc(N3CCC[C@H](c4nncn4C(C)C)C3)n2)cc1 CC(C)n1cnnc1[*:1] Cc1ccc(cc1)-c1csc(n1)N1CCC[C@H](C1)[*:1]
Cc1ccc(-c2csc(N3CCC[C@H](c4nncn4C(C)C)C3)n2)cc1 Cc1ccc(cc1)[*:1] CC(C)n1cnnc1[C@H]1CCCN(C1)c1nc(cs1)[*:1]
Cc1ccc2c(c1C)[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)CCO2 FC(F)(F)C[*:1] Cc1ccc2OCC[C@@H](N[C@H]3CCCN(C3=O)[*:1])c2c1C
Cc1ccc2c(c1C)[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)CCO2 FC(F)(F)[*:1] Cc1ccc2OCC[C@@H](N[C@H]3CCCN(C[*:1])C3=O)c2c1C
Cc1nc2c(c(C)c1CC(=O)N(C)CC(F)(F)F)c(=O)[nH]n2C FC(F)(F)C[*:1] Cc1nc2c(c(C)c1CC(=O)N(C)[*:1])c(=O)[nH]n2C
Cc1nc2c(c(C)c1CC(=O)N(C)CC(F)(F)F)c(=O)[nH]n2C FC(F)(F)[*:1] Cc1nc2c(c(C)c1CC(=O)N(C)C[*:1])c(=O)[nH]n2C
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccco3)c3ccccc3n2)cc1 Cc1ccc(cc1)[*:1] O=C(NNC(=O)c1cc(nc2ccccc12)[*:1])c1ccco1
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccco3)c3ccccc3n2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-c1cc(C(=O)NNC(=O)[*:1])c2ccccc2n1
O=C1CC[NH+](Cc2cccn2-c2ccccn2)CCN1CCOc1ccc(F)cc1 Fc1ccc(cc1)OC[*:1] O=C1CC[NH+](CCN1C[*:1])Cc1cccn1-c1ccccn1
O=C1CC[NH+](Cc2cccn2-c2ccccn2)CCN1CCOc1ccc(F)cc1 Fc1ccc(cc1)OCC[*:1] O=C1CC[NH+](CCN1[*:1])Cc1cccn1-c1ccccn1
O=C1CC[NH+](Cc2cccn2-c2ccccn2)CCN1CCOc1ccc(F)cc1 c1ccc(nc1)[*:1] O=C1CC[NH+](CCN1CCOc1ccc(F)cc1)Cc1cccn1[*:1]
O=C1CC[NH+](Cc2cccn2-c2ccccn2)CCN1CCOc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] O=C1CC[NH+](CCN1CC[*:1])Cc1cccn1-c1ccccn1
O=C1CC[NH+](Cc2cccn2-c2ccccn2)CCN1CCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1CC[NH+](CCN1CCO[*:1])Cc1cccn1-c1ccccn1
O=C(NC[C@@H]1C[C@]12CCc1ccccc12)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1C[C@]12CCc1ccccc12)C1(CCOCC1)[*:1]
O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccc(Br)cc2)c1 Clc1ccc(cc1)[*:1] O=C(N[*:1])c1cnn(c1)-c1ccc(Br)cc1
O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)c1cnn(c1)[*:1]
CC(C)(C)Nc1ccc(S(C)(=O)=O)cc1N CS(=O)(=O)[*:1] CC(C)(C)Nc1ccc(cc1N)[*:1]
CC(C)(C)Nc1ccc(S(C)(=O)=O)cc1N CC(C)(C)N[*:1] CS(=O)(=O)c1ccc(c(N)c1)[*:1]
CC(C)(C)Nc1ccc(S(C)(=O)=O)cc1N CC(C)(C)[*:1] CS(=O)(=O)c1ccc(N[*:1])c(N)c1
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2Cl)C1=O Fc1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2Cl)C1=O)[*:1]
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2Cl)C1=O Cc1cc(C)c(c(Cl)c1)[*:1] CC[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(F)cc1
COc1ccccc1[C@@H](NC(=O)N[C@@H](C)CSC)C(C)(C)C CSC[C@H](C)[*:1] COc1ccccc1[C@@H](NC(=O)N[*:1])C(C)(C)C
COc1ccccc1[C@@H](NC(=O)N[C@@H](C)CSC)C(C)(C)C CSC[*:1] COc1ccccc1[C@@H](NC(=O)N[C@@H](C)[*:1])C(C)(C)C
COc1ccccc1[C@@H](NC(=O)N[C@@H](C)CSC)C(C)(C)C CC(C)(C)[*:1] COc1ccccc1[C@@H](NC(=O)N[C@@H](C)CSC)[*:1]
Cc1nc[nH]c1C(=O)N1CCC2(CC1)C[C@@H](C(=O)[O-])N(C(=O)C1CC1)C2 O=C([O-])[*:1] Cc1nc[nH]c1C(=O)N1CCC2(CC1)C[C@@H](N(C2)C(=O)C1CC1)[*:1]
Cc1nc[nH]c1C(=O)N1CCC2(CC1)C[C@@H](C(=O)[O-])N(C(=O)C1CC1)C2 C1CC1[*:1] Cc1nc[nH]c1C(=O)N1CCC2(CC1)C[C@@H](C(=O)[O-])N(C2)C(=O)[*:1]
Cc1nc[nH]c1C(=O)N1CCC2(CC1)C[C@@H](C(=O)[O-])N(C(=O)C1CC1)C2 Cc1nc[nH]c1[*:1] O=C([O-])[C@@H]1CC2(CCN(CC2)C(=O)[*:1])CN1C(=O)C1CC1
O=C(CC1=c2ccccc2=[NH+]C1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 C1CC1[*:1] O=C(CC1C[NH+]=c2ccccc2=1)N1CCN(CC1)c1ccc(cc1)-c1noc(n1)[*:1]
O=C(CC1=c2ccccc2=[NH+]C1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 C1CC1c1nc(no1)[*:1] O=C(CC1C[NH+]=c2ccccc2=1)N1CCN(CC1)c1ccc(cc1)[*:1]
Cc1nc(CNC(=O)c2cc(Cl)c3c(c2)OCO3)sc1C Cc1nc(sc1C)[*:1] O=C(NC[*:1])c1cc(Cl)c2OCOc2c1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] Cc1nn(c(C)c1N1CCN(CC1)S(=O)(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
COCCNC(=S)NC1CCCCC1 COCC[*:1] S=C(NC1CCCCC1)N[*:1]
COCCNC(=S)NC1CCCCC1 COC[*:1] S=C(NC[*:1])NC1CCCCC1
COC(=O)N1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2C#N)C1 COc1ccc(cc1)[*:1] COC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
Cc1ccc2cc(COC(=O)COc3ccccc3F)c(Cl)nc2c1 Fc1ccccc1O[*:1] Cc1ccc2cc(COC(=O)C[*:1])c(Cl)nc2c1
Cc1ccc2cc(COC(=O)COc3ccccc3F)c(Cl)nc2c1 Fc1ccccc1[*:1] Cc1ccc2cc(COC(=O)CO[*:1])c(Cl)nc2c1
Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)C(N)=O)C(=O)NC[*:1]
Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)C(N)=O)C(=O)N[*:1]
Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] Cc1ccc(cc1)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(cc1)[*:1]
O=C(c1ccc(-n2cnnn2)cc1)N(Cc1ccccc1)Cc1ccccc1 c1nnnn1[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccccc1)Cc1ccccc1
O=C(c1ccc(-n2cnnn2)cc1)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)-n1cnnn1)N(Cc1ccccc1)C[*:1]
O=C(c1ccc(-n2cnnn2)cc1)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1ccc(cc1)-n1cnnn1)N(Cc1ccccc1)[*:1]
CCOC(=O)CC(=O)c1cc(F)c(Cl)nc1Cl CCOC(=O)[*:1] O=C(C[*:1])c1cc(F)c(Cl)nc1Cl
O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1C[C@@H]1CCCO1 c1ccc(cc1)OCC[*:1] O=C1C[C@H](CN1C[C@@H]1CCCO1)c1nc2ccccc2n1[*:1]
O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1C[C@@H]1CCCO1 c1ccc(cc1)OC[*:1] O=C1C[C@H](CN1C[C@@H]1CCCO1)c1nc2ccccc2n1C[*:1]
O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1C[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1C[C@@H]1CCCO1)c1nc2ccccc2n1CCO[*:1]
O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1C[C@@H]1CCCO1 c1ccc(cc1)O[*:1] O=C1C[C@H](CN1C[C@@H]1CCCO1)c1nc2ccccc2n1CC[*:1]
O=C(Nc1cccc(C(=O)NC2CCCC2)c1)C1=CSCCO1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])C1=CSCCO1
COCCn1ccc2ccc(NC(=O)Cc3cccc(OC)c3)cc21 COCC[*:1] COc1cccc(c1)CC(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)Cc3cccc(OC)c3)cc21 COC[*:1] COc1cccc(c1)CC(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)Cc3cccc(OC)c3)cc21 COc1cccc(c1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)C[*:1]
CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C)c1 Cc1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=O)N1CCC[C@@H]1C(=O)N[*:1]
CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C)c1 CC(=O)[*:1] Cc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C)c1 CC(=O)c1cccc(c1)[*:1] Cc1ccccc1NC(=O)[C@H]1CCCN1C(=O)N[*:1]
CCO[C@@H](C)c1nc(CNc2ccc(C)c(Cl)c2)cs1 CCO[C@@H](C)[*:1] Cc1ccc(cc1Cl)NCc1csc(n1)[*:1]
CCO[C@@H](C)c1nc(CNc2ccc(C)c(Cl)c2)cs1 CCO[*:1] Cc1ccc(cc1Cl)NCc1csc(n1)[C@H](C)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NCc1sc(C)nc1C CC[C@@H](C)[*:1] Cc1nc(C)c(CN[C@@H](C)C(=O)N[*:1])s1
C[NH+](C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[NH+](C)CCNC(=O)/C=C/c1ccc(cc1)[*:1]
CN(CCC(=O)NC(=N)O)C(c1ccccc1)c1ccccc1 N=C(O)NC(=O)[*:1] CN(CC[*:1])C(c1ccccc1)c1ccccc1
CN(CCC(=O)NC(=N)O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCC(=O)NC(=N)O)C(c1ccccc1)[*:1]
CC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc23)CC1 O=C([O-])[*:1] CC(=O)N1CC[NH+](CC1)[C@@H](c1c[nH]c2ccc(Cl)cc12)[*:1]
CCOC(=O)CNC(=O)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 CCOC(=O)[*:1] O=C(NC[*:1])N1CCN(CC1)c1nc2cccnc2n(Cc2ccccc2)c1=O
CCOC(=O)CNC(=O)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 c1ccc(cc1)[*:1] CCOC(=O)CNC(=O)N1CCN(CC1)c1nc2cccnc2n(C[*:1])c1=O
CCOC(=O)CNC(=O)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 CCOC(=O)C[*:1] O=C(N[*:1])N1CCN(CC1)c1nc2cccnc2n(Cc2ccccc2)c1=O
CCOC(=O)CNC(=O)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 c1ccc(cc1)C[*:1] CCOC(=O)CNC(=O)N1CCN(CC1)c1nc2cccnc2n(c1=O)[*:1]
COCCN(CC(=O)N(C)C)C(=O)c1cc2c(C)cc(C)cc2[nH]1 CN(C)C(=O)C[*:1] COCCN(C(=O)c1cc2c(C)cc(C)cc2[nH]1)[*:1]
COCCN(CC(=O)N(C)C)C(=O)c1cc2c(C)cc(C)cc2[nH]1 CN(C)C(=O)[*:1] COCCN(C[*:1])C(=O)c1cc2c(C)cc(C)cc2[nH]1
COCCN(CC(=O)N(C)C)C(=O)c1cc2c(C)cc(C)cc2[nH]1 COCC[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)N(CC(=O)N(C)C)[*:1]
COCCN(CC(=O)N(C)C)C(=O)c1cc2c(C)cc(C)cc2[nH]1 COC[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)N(CC(=O)N(C)C)C[*:1]
Cc1nn(CN2C[C@H](C)O[C@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nn(CN2C[C@H](C)O[C@H](C2)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CN2C[C@H](C)O[C@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CN2C[C@H](C)O[C@@H](C2)c2ccccc2)c(C)c1[*:1]
c1cnc(Nc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)nc1 c1cnc(nc1)[*:1] c1cc2OCCOc2cc1-c1n[nH]c(n1)N[*:1]
c1cnc(Nc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)nc1 c1cnc(nc1)N[*:1] c1cc2OCCOc2cc1-c1n[nH]c(n1)[*:1]
O=C(OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(COC(=O)[*:1])N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1
O=C(OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] O=C(OCC(=O)N1N=C2C(=C[*:1])CCC[C@H]2[C@@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1
O=C(OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 O=C(O[*:1])[C@@H]1CCS(=O)(=O)C1 O=C(C[*:1])N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1
O=C(OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] O=C(OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccccc1COc1ccccc1C(=O)NCC(=O)NC(C)(C)C CC(C)(C)NC(=O)C[*:1] Cc1ccccc1COc1ccccc1C(=O)N[*:1]
Cc1ccccc1COc1ccccc1C(=O)NCC(=O)NC(C)(C)C Cc1ccccc1[*:1] CC(C)(C)NC(=O)CNC(=O)c1ccccc1OC[*:1]
Cc1ccccc1COc1ccccc1C(=O)NCC(=O)NC(C)(C)C Cc1ccccc1C[*:1] CC(C)(C)NC(=O)CNC(=O)c1ccccc1O[*:1]
Cc1ccccc1COc1ccccc1C(=O)NCC(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] Cc1ccccc1COc1ccccc1C(=O)NC[*:1]
Cc1ccccc1COc1ccccc1C(=O)NCC(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1ccccc1COc1ccccc1C(=O)NCC(=O)N[*:1]
Cc1ccc([C@@H](C)[NH2+]CCCCn2cnnc2)c(C)c1 c1nncn1[*:1] Cc1ccc(c(C)c1)[C@@H](C)[NH2+]CCCC[*:1]
Cc1ccc([C@@H](C)[NH2+]CCCCn2cnnc2)c(C)c1 c1nncn1C[*:1] Cc1ccc(c(C)c1)[C@@H](C)[NH2+]CCC[*:1]
Cc1ccc([N+](=O)[O-])cc1NCc1cc(C)c(F)c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(cc1NCc1cc(C)c(F)c(C)c1)[*:1]
O=C(Nc1cccc(N2CCCCCC2)c1)NC1(CO)CCCC1 OCC1(CCCC1)[*:1] O=C(Nc1cccc(c1)N1CCCCCC1)N[*:1]
O=C(Nc1cccc(N2CCCCCC2)c1)NC1(CO)CCCC1 C1CCCN(CC1)[*:1] O=C(Nc1cccc(c1)[*:1])NC1(CO)CCCC1
C[C@H](C1CC1)N(C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 O=S(=O)(NC1CC1)[*:1] C[C@H](C1CC1)N(C)C(=O)Nc1cccc(c1)[*:1]
C[C@H](C1CC1)N(C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 C1CC1[*:1] C[C@H](N(C)C(=O)Nc1cccc(c1)S(=O)(=O)NC1CC1)[*:1]
C[C@H](C1CC1)N(C)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 C1CC1[*:1] C[C@H](C1CC1)N(C)C(=O)Nc1cccc(c1)S(=O)(=O)N[*:1]
C[C@H]1CN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C[C@H](C)O1 c1csc(c1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1cccc(c1)NC(=O)[*:1]
C[C@H]1CN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C[C@H](C)O1 O=C(N[*:1])c1cccs1 C[C@H]1CN(C[C@H](C)O1)C(=O)c1cccc(c1)[*:1]
CC(C)c1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N32)cc1 c1coc(c1)C[*:1] CC(C)c1ccc(cc1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
CC(C)c1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N32)cc1 CC(C)c1ccc(cc1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](N2C(=O)CN1Cc1ccco1)[*:1]
CC(C)c1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N32)cc1 CC(C)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3ccc(cc3)[*:1])N2C(=O)CN1Cc1ccco1
CC(C)c1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N32)cc1 c1coc(c1)[*:1] CC(C)c1ccc(cc1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)C[*:1]
NC(=O)C1(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CCCC1 c1ccc(cc1)[*:1] NC(=O)C1(CCCC1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
NC(=O)C1(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CCCC1 NC(=O)C1(CCCC1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)Nc1ccccc1
NC(=O)C1(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CCCC1 NC(=O)[*:1] O=C(NC1(CCCC1)[*:1])[C@@H]1CCCN(C1)C(=O)Nc1ccccc1
COc1cccc(OCc2cc(C(=O)N(C)C(C)C)no2)c1 CC(C)N(C)C(=O)[*:1] COc1cccc(c1)OCc1cc(no1)[*:1]
COc1cccc(OCc2cc(C(=O)N(C)C(C)C)no2)c1 CC(C)[*:1] COc1cccc(c1)OCc1cc(no1)C(=O)N(C)[*:1]
COC(=O)c1cc(CO/N=C(\N)[C@@H](C)OC)c(C)s1 COC(=O)[*:1] CO[C@H](C)/C(N)=N/OCc1cc(sc1C)[*:1]
COC(=O)c1cc(CO/N=C(\N)[C@@H](C)OC)c(C)s1 CO[C@H](C)[*:1] COC(=O)c1cc(CO/N=C(\N)[*:1])c(C)s1
CCCCc1cc(NC(=O)c2ccc(OC(C)C)nc2)[nH]n1 CC(C)O[*:1] CCCCc1cc(NC(=O)c2ccc(nc2)[*:1])[nH]n1
CCCCc1cc(NC(=O)c2ccc(OC(C)C)nc2)[nH]n1 CC(C)[*:1] CCCCc1cc(NC(=O)c2ccc(nc2)O[*:1])[nH]n1
CCCCc1cc(NC(=O)c2ccc(OC(C)C)nc2)[nH]n1 CCCC[*:1] CC(C)Oc1ccc(cn1)C(=O)Nc1cc(n[nH]1)[*:1]
CCCCc1cc(NC(=O)c2ccc(OC(C)C)nc2)[nH]n1 CCC[*:1] CC(C)Oc1ccc(cn1)C(=O)Nc1cc(C[*:1])n[nH]1
O=C(CSc1nnc2ccccn12)Nc1ccc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] O=C(CSc1nnc2ccccn12)Nc1ccc(Cl)cc1[*:1]
CC(C)[C@H]1Nc2ccccc2C(=O)N1CC(=O)NCc1cccnc1 CC(C)[*:1] O=C(CN1C(=O)c2ccccc2N[C@@H]1[*:1])NCc1cccnc1
CC(C)[C@H]1Nc2ccccc2C(=O)N1CC(=O)NCc1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H]1Nc2ccccc2C(=O)N1CC(=O)NC[*:1]
CC(C)[C@H]1Nc2ccccc2C(=O)N1CC(=O)NCc1cccnc1 c1cncc(c1)C[*:1] CC(C)[C@H]1Nc2ccccc2C(=O)N1CC(=O)N[*:1]
Cc1ccn(C[C@H](C)NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)n1 c1coc(c1)[*:1] Cc1ccn(C[C@H](C)NC(=O)c2cc(nc3c2c(C)nn3C)[*:1])n1
Cc1ccn(C[C@H](C)NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)n1 Cc1ccn(n1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N[C@@H](C)C[*:1])c12)-c1ccco1
Cc1ccn(C[C@H](C)NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)n1 Cc1ccn(C[*:1])n1 Cc1nn(C)c2nc(cc(C(=O)N[C@@H](C)[*:1])c12)-c1ccco1
C[C@]1(C(=O)NC2CCCC2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@@]1(CN(CC(=O)N1c1ccc(Cl)cc1)S(=O)(=O)[*:1])C(=O)NC1CCCC1
C[C@]1(C(=O)NC2CCCC2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@]1(CN(CC(=O)N1[*:1])S(=O)(=O)c1ccccc1)C(=O)NC1CCCC1
C[C@]1(C(=O)NC2CCCC2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 C1CCC(C1)[*:1] C[C@@]1(CN(CC(=O)N1c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)C(=O)N[*:1]
C[C@]1(C(=O)NC2CCCC2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 O=C(NC1CCCC1)[*:1] C[C@@]1(CN(CC(=O)N1c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)[*:1]
NC(=O)CN1CCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 NC(=O)C[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
NC(=O)CN1CCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] NC(=O)CN1CCN(CC1)C(=O)C[C@@H](O)[*:1]
NC(=O)CN1CCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 NC(=O)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1 Cc1ccccc1C(=O)N[*:1] O=C(NNC(=O)c1ccc(cc1)[*:1])Nc1ccc(Cl)cc1
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)NNC(=O)N[*:1]
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1 Cc1ccccc1[*:1] O=C(NNC(=O)c1ccc(cc1)NC(=O)[*:1])Nc1ccc(Cl)cc1
Cc1cccc(OCc2nn3c([C@H]4COc5ccccc5O4)nnc3s2)c1 Cc1cccc(c1)O[*:1] c1ccc2O[C@H](COc2c1)c1nnc2sc(C[*:1])nn12
Cc1cccc(OCc2nn3c([C@H]4COc5ccccc5O4)nnc3s2)c1 Cc1cccc(c1)OC[*:1] c1ccc2O[C@H](COc2c1)c1nnc2sc(nn12)[*:1]
Cc1cccc(OCc2nn3c([C@H]4COc5ccccc5O4)nnc3s2)c1 Cc1cccc(c1)[*:1] c1ccc2O[C@H](COc2c1)c1nnc2sc(CO[*:1])nn12
Cc1cc(C)c2c(CC(=O)NNC(=O)c3ccc(F)cc3)coc2c1 Fc1ccc(cc1)[*:1] Cc1cc(C)c2c(coc2c1)CC(=O)NNC(=O)[*:1]
Cc1cc(C)nc(SCC(=O)Nc2c[n+](C)no2)n1 C[n+]1cc(on1)[*:1] Cc1cc(C)nc(n1)SCC(=O)N[*:1]
CC(C)Cc1s/c(=N/C(=O)CCC(=O)Nc2nccs2)[nH]c1C(=O)[O-] CC(C)[*:1] O=C(CCC(=O)Nc1nccs1)/N=c1\[nH]c(C(=O)[O-])c(C[*:1])s1
CC(C)Cc1s/c(=N/C(=O)CCC(=O)Nc2nccs2)[nH]c1C(=O)[O-] CC(C)C[*:1] O=C(CCC(=O)Nc1nccs1)/N=c1\[nH]c(C(=O)[O-])c(s1)[*:1]
CC(C)Cc1s/c(=N/C(=O)CCC(=O)Nc2nccs2)[nH]c1C(=O)[O-] c1csc(n1)[*:1] CC(C)Cc1s/c(=N/C(=O)CCC(=O)N[*:1])[nH]c1C(=O)[O-]
CC(C)Cc1s/c(=N/C(=O)CCC(=O)Nc2nccs2)[nH]c1C(=O)[O-] O=C(Nc1nccs1)[*:1] CC(C)Cc1s/c(=N/C(=O)CC[*:1])[nH]c1C(=O)[O-]
CC(C)Cc1s/c(=N/C(=O)CCC(=O)Nc2nccs2)[nH]c1C(=O)[O-] O=C([O-])[*:1] CC(C)Cc1s/c(=N/C(=O)CCC(=O)Nc2nccs2)[nH]c1[*:1]
O=C(CCCc1ccc(Br)s1)NCC1([O-])CCC1 Brc1ccc(s1)[*:1] O=C(CCC[*:1])NCC1([O-])CCC1
O=C(CCCc1ccc(Br)s1)NCC1([O-])CCC1 [O-]C1(CCC1)[*:1] O=C(CCCc1ccc(Br)s1)NC[*:1]
O=C(CCCc1ccc(Br)s1)NCC1([O-])CCC1 [O-]C1(CCC1)C[*:1] O=C(CCCc1ccc(Br)s1)N[*:1]
Cc1cccc(CNC(=O)CN2C[C@@H](C)C(=O)Nc3ccccc32)c1 Cc1cccc(c1)C[*:1] C[C@@H]1CN(CC(=O)N[*:1])c2ccccc2NC1=O
Cc1cccc(CNC(=O)CN2C[C@@H](C)C(=O)Nc3ccccc32)c1 Cc1cccc(c1)[*:1] C[C@@H]1CN(CC(=O)NC[*:1])c2ccccc2NC1=O
CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(CC)cc2)cc1 CCc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1Nn2c(C)nnc2S[C@H]1C(=O)N[*:1]
CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(CC)cc2)cc1 CCOc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1[*:1]
CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(CC)cc2)cc1 CCO[*:1] CCc1ccc(cc1)NC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(C[NH+]2CCC(c3cnn(C)c3)CC2)o1 Cn1cc(cn1)[*:1] CCOC(=O)c1ccc(C[NH+]2CCC(CC2)[*:1])o1
CCOC(=O)c1ccc(C[NH+]2CCC(c3cnn(C)c3)CC2)o1 CCOC(=O)[*:1] Cn1cc(cn1)C1CC[NH+](CC1)Cc1ccc(o1)[*:1]
C[C@@H](NC(=O)c1nc(N2CCOCC2)c2ccccc2n1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(N[*:1])c1nc(c2ccccc2n1)N1CCOCC1
C[C@@H](NC(=O)c1nc(N2CCOCC2)c2ccccc2n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1nc(c2ccccc2n1)N1CCOCC1)[*:1]
C[C@@H](NC(=O)c1nc(N2CCOCC2)c2ccccc2n1)c1ccccc1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)c1nc(c2ccccc2n1)[*:1])c1ccccc1
COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 O=[N+]([O-])[*:1] COc1ccc(OC)c(c1)[C@H](C)NC(=O)Nc1ccc(cc1OC)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nn2cnnc2)cc1 Cc1ccc(cc1)[*:1] O=C(Nn1cnnc1)[C@H]1CCCN1S(=O)(=O)[*:1]
COc1ccc(OCC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 COc1ccc(cc1)[*:1] C[C@]1(CCCN(C1)C(=O)CO[*:1])C(=O)NCc1ccc(F)cc1
COc1ccc(OCC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)N1CCC[C@](C)(C1)C(=O)NC[*:1]
COc1ccc(OCC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 COc1ccc(cc1)O[*:1] C[C@]1(CCCN(C1)C(=O)C[*:1])C(=O)NCc1ccc(F)cc1
COc1ccc(OCC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 COc1ccc(cc1)OC[*:1] C[C@]1(CCCN(C1)C(=O)[*:1])C(=O)NCc1ccc(F)cc1
COc1ccc(OCC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)OCC(=O)N1CCC[C@](C)(C1)C(=O)N[*:1]
CCn1c(=O)n(CC(=O)Nc2cc(C)cc(C)c2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 Cc1cc(C)cc(c1)NC(=O)[*:1] CCn1c(=O)n(C[*:1])c(=O)c2cnc(nc21)-c1ccc(Cl)cc1
CCn1c(=O)n(CC(=O)Nc2cc(C)cc(C)c2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 Clc1ccc(cc1)[*:1] CCn1c(=O)n(CC(=O)Nc2cc(C)cc(C)c2)c(=O)c2cnc(nc21)[*:1]
CCn1c(=O)n(CC(=O)Nc2cc(C)cc(C)c2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 Cc1cc(C)cc(c1)[*:1] CCn1c(=O)n(CC(=O)N[*:1])c(=O)c2cnc(nc21)-c1ccc(Cl)cc1
CCc1nn(C)cc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 CCc1nn(C)cc1[*:1] O=C(Nc1ccc2nc([nH]c2c1)[C@@H]1CCCO1)[*:1]
O=C(C[S@@](=O)C/C=C/c1ccccc1)NNC(=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(C[S@@](=O)CC=C[*:1])NNC(=O)c1ccc(F)cc1
O=C(C[S@@](=O)C/C=C/c1ccccc1)NNC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[S@@](=O)C/C=C/c1ccccc1)NNC(=O)[*:1]
O=C(C[S@@](=O)C/C=C/c1ccccc1)NNC(=O)c1ccc(F)cc1 C(=C[*:1])c1ccccc1 O=C(C[S@@](=O)C[*:1])NNC(=O)c1ccc(F)cc1
Cc1cc(C)cc(OC[C@@H]2N=[NH+]C(=S)N2NC(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)OC[C@@H]1N=[NH+]C(=S)N1NC(=O)C[*:1]
Cc1cc(C)cc(OC[C@@H]2N=[NH+]C(=S)N2NC(=O)Cc2ccccc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(Cc1ccccc1)NN1C(=S)[NH+]=N[C@H]1CO[*:1]
Cc1cc(C)cc(OC[C@@H]2N=[NH+]C(=S)N2NC(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)OC[C@@H]1N=[NH+]C(=S)N1NC(=O)[*:1]
O=C(NC1CCCCC1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@@H]1C[C@H](O)CN1C(=O)N[*:1]
O=C(NC1CCCCC1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1
Cn1nccc1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 Cn1nccc1[*:1] O=C(NC[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
Cn1nccc1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 Cn1nccc1C[*:1] O=C(N[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)C(C)(C)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)C2CCC(=O)N(N=2)[*:1])C(C)(C)CO1
Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)CCn3cnnn3)n2)cc1 c1nnnn1C[*:1] Cc1ccc(cc1)S(=O)(=O)Cc1csc(n1)NC(=O)C[*:1]
Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)CCn3cnnn3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(CCn1cnnn1)Nc1nc(cs1)CS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)CCn3cnnn3)n2)cc1 c1nnnn1[*:1] Cc1ccc(cc1)S(=O)(=O)Cc1csc(n1)NC(=O)CC[*:1]
Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)CCn3cnnn3)n2)cc1 c1nnnn1CC[*:1] Cc1ccc(cc1)S(=O)(=O)Cc1csc(n1)NC(=O)[*:1]
CCOc1ccc(CC(=O)N2[C@@H](C)COC[C@@H]2C)cc1 CCO[*:1] C[C@H]1COC[C@H](C)N1C(=O)Cc1ccc(cc1)[*:1]
O=C(N[C@H](CO)c1ccco1)c1c(F)cc(F)cc1F c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1c(F)cc(F)cc1F
C=CCS(=O)(=O)NCCCO C=CC[*:1] O=S(=O)(NCCCO)[*:1]
C=CCS(=O)(=O)NCCCO OCC[*:1] C=CCS(=O)(=O)NC[*:1]
CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC(=O)NC(=O)NC)CC1 Fc1ccc(c(F)c1)[*:1] CC[C@@H]([NH+]1CCN(CC1)CC(=O)NC(=O)NC)[*:1]
CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC(=O)NC(=O)NC)CC1 CNC(=O)NC(=O)[*:1] CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC1)C[*:1]
CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC(=O)NC(=O)NC)CC1 CNC(=O)NC(=O)C[*:1] CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC1)[*:1]
COc1cc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@@H]4CC(=O)O[C@@H]4CC[C@H]3[C@]2(C)CO)cc(OC)c1 COc1cc(cc(c1)[*:1])OC C[C@@]12CC[C@@H](OC(=O)N[*:1])[C@@](C)(CO)[C@@H]1CC[C@H]1OC(=O)C[C@H]12
COC(=O)[C@]1(C)CCN(C(=O)c2ccnc(OC3CCCCC3)c2)C1 C1CCC(CC1)[*:1] COC(=O)[C@]1(C)CCN(C1)C(=O)c1ccnc(c1)O[*:1]
COC(=O)[C@]1(C)CCN(C(=O)c2ccnc(OC3CCCCC3)c2)C1 COC(=O)[*:1] C[C@@]1(CCN(C1)C(=O)c1ccnc(c1)OC1CCCCC1)[*:1]
COC(=O)[C@]1(C)CCN(C(=O)c2ccnc(OC3CCCCC3)c2)C1 C1CCC(CC1)O[*:1] COC(=O)[C@]1(C)CCN(C1)C(=O)c1ccnc(c1)[*:1]
C[C@H]1CN(c2ccccc2NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1NC(=O)N[*:1]
C[C@H]1CN(c2ccccc2NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 C[C@H]1CN(C[C@H](C)O1)[*:1] O=C(Nc1ccccc1[*:1])N[C@@H]1CCS(=O)(=O)C1
CCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)C1 Fc1cccc(F)c1[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)N[C@H]1CCN(C1)[*:1]
C[C@@H](OCC1CC1)C(=O)NNc1cc(C#N)cc(Cl)n1 C1CC1[*:1] C[C@@H](OC[*:1])C(=O)NNc1cc(C#N)cc(Cl)n1
C[C@@H](OCC1CC1)C(=O)NNc1cc(C#N)cc(Cl)n1 C1CC1C[*:1] C[C@@H](O[*:1])C(=O)NNc1cc(C#N)cc(Cl)n1
C[C@@H](OCC1CC1)C(=O)NNc1cc(C#N)cc(Cl)n1 C1CC1CO[*:1] C[C@@H](C(=O)NNc1cc(C#N)cc(Cl)n1)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 CCOC(=O)[*:1] O=C1CCCN1c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 O=C1CCCN1[*:1] CCOC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CC(C)CCSC/C([O-])=N/S(=O)(=O)C1CCCC1 CC(C)CCS[*:1] O=S(=O)(/N=C(\[O-])C[*:1])C1CCCC1
CC(C)CCSC/C([O-])=N/S(=O)(=O)C1CCCC1 CC(C)C[*:1] O=S(=O)(/N=C(\[O-])CSC[*:1])C1CCCC1
CC(C)CCSC/C([O-])=N/S(=O)(=O)C1CCCC1 CC(C)[*:1] O=S(=O)(/N=C(\[O-])CSCC[*:1])C1CCCC1
CC(C)CCSC/C([O-])=N/S(=O)(=O)C1CCCC1 C1CCC(C1)[*:1] CC(C)CCSC/C([O-])=N/S(=O)(=O)[*:1]
CC(C)CCSC/C([O-])=N/S(=O)(=O)C1CCCC1 CC(C)CC[*:1] O=S(=O)(/N=C(\[O-])CS[*:1])C1CCCC1
Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 C1CC1c1nc(no1)[*:1] Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H]1[*:1]
Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 Cc1noc(C)c1[*:1] C[C@H](C(=O)N1CCC[C@H]1c1noc(n1)C1CC1)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 C1CC1[*:1] Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H]1c1noc(n1)[*:1]
C[C@@H]1CCC[C@H](NC(=O)NCCCOCC2CCOCC2)[C@@H]1C C1CC(CCO1)C[*:1] C[C@@H]1CCC[C@H](NC(=O)NCCCO[*:1])[C@@H]1C
C[C@@H]1CCC[C@H](NC(=O)NCCCOCC2CCOCC2)[C@@H]1C C1CC(CCO1)[*:1] C[C@@H]1CCC[C@H](NC(=O)NCCCOC[*:1])[C@@H]1C
C[C@H](C(=O)N(CC(F)(F)F)c1ccccn1)c1ccc2c(c1)OCCO2 c1ccc(nc1)[*:1] C[C@H](C(=O)N(CC(F)(F)F)[*:1])c1ccc2OCCOc2c1
C[C@H](C(=O)N(CC(F)(F)F)c1ccccn1)c1ccc2c(c1)OCCO2 FC(F)(F)[*:1] C[C@H](C(=O)N(C[*:1])c1ccccn1)c1ccc2OCCOc2c1
C[C@H](C(=O)N(CC(F)(F)F)c1ccccn1)c1ccc2c(c1)OCCO2 FC(F)(F)C[*:1] C[C@H](C(=O)N(c1ccccn1)[*:1])c1ccc2OCCOc2c1
O=C(Cc1cccc(F)c1F)N1CC=C(c2cccs2)CC1 c1csc(c1)[*:1] O=C(Cc1cccc(F)c1F)N1CC=C(CC1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@H](c1ccccn1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@H](c1ccccc1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@H](c1ccccc1)c1ccccn1 CS(=O)(=O)C[*:1] C[C@@H](N(C)C(=O)N[C@H](c1ccccc1)c1ccccn1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@H](c1ccccc1)c1ccccn1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C)C(=O)N[C@H](c1ccccc1)c1ccccn1
O=C(/C=C/c1cccs1)NCC#CCOc1ccc(F)cc1F c1csc(c1)[*:1] O=C(C=C[*:1])NCC#CCOc1ccc(F)cc1F
O=C(/C=C/c1cccs1)NCC#CCOc1ccc(F)cc1F C(=C[*:1])c1cccs1 O=C(NCC#CCOc1ccc(F)cc1F)[*:1]
Cc1occc1C(=O)NCc1nc(-c2cccc(NC(=O)c3ccccn3)c2)oc1C Cc1occc1[*:1] Cc1oc(nc1CNC(=O)[*:1])-c1cccc(c1)NC(=O)c1ccccn1
Cc1occc1C(=O)NCc1nc(-c2cccc(NC(=O)c3ccccn3)c2)oc1C O=C(N[*:1])c1ccccn1 Cc1occc1C(=O)NCc1nc(oc1C)-c1cccc(c1)[*:1]
Cc1occc1C(=O)NCc1nc(-c2cccc(NC(=O)c3ccccn3)c2)oc1C Cc1occc1C(=O)NC[*:1] Cc1oc(nc1[*:1])-c1cccc(c1)NC(=O)c1ccccn1
Cc1occc1C(=O)NCc1nc(-c2cccc(NC(=O)c3ccccn3)c2)oc1C Cc1occc1C(=O)N[*:1] Cc1oc(nc1C[*:1])-c1cccc(c1)NC(=O)c1ccccn1
Cc1occc1C(=O)NCc1nc(-c2cccc(NC(=O)c3ccccn3)c2)oc1C c1ccc(nc1)[*:1] Cc1occc1C(=O)NCc1nc(oc1C)-c1cccc(c1)NC(=O)[*:1]
COc1ccc(S(=O)(=O)NC[C@H]2CCOC2)cc1C C1C[C@@H](CO1)[*:1] COc1ccc(cc1C)S(=O)(=O)NC[*:1]
COc1ccc(S(=O)(=O)NC[C@H]2CCOC2)cc1C C1C[C@@H](CO1)C[*:1] COc1ccc(cc1C)S(=O)(=O)N[*:1]
Cc1ccccc1OCCSCC(=O)N1CCC(C)CC1 Cc1ccccc1[*:1] CC1CCN(CC1)C(=O)CSCCO[*:1]
Cc1nc(Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)cs1 CC(C)[*:1] Cc1nc(cs1)Cc1nc(cs1)-c1ccc(cc1)NC(=O)[*:1]
Cc1nc(Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)cs1 Cc1nc(cs1)[*:1] CC(C)C(=O)Nc1ccc(cc1)-c1csc(C[*:1])n1
Cc1nc(Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)cs1 CC(C)C(=O)N[*:1] Cc1nc(cs1)Cc1nc(cs1)-c1ccc(cc1)[*:1]
Cc1nc(Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)cs1 Cc1nc(cs1)C[*:1] CC(C)C(=O)Nc1ccc(cc1)-c1csc(n1)[*:1]
CCc1noc(C)c1C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C#N CN(C)C(=O)[*:1] CCc1noc(C)c1C(=O)Nc1sc(c(C)c1C#N)[*:1]
CCc1noc(C)c1C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C#N CCc1noc(C)c1[*:1] Cc1c(sc(NC(=O)[*:1])c1C#N)C(=O)N(C)C
CC(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(=O)[nH]1 c1ccc(cc1)C[*:1] CC(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(C2)C[*:1])c(=O)[nH]1
CC(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(=O)[nH]1 c1ccc(cc1)[*:1] CC(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[*:1])C2)c(=O)[nH]1
CC(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(=O)[nH]1 CC(C)[*:1] O=C(N[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc([nH]c1=O)[*:1]
CC(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(=O)[nH]1 c1ccc(cc1)CC[*:1] CC(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(C2)[*:1])c(=O)[nH]1
CCCCC(=O)Nc1ccc2sc(N(CC)CC)[nH+]c(=O)c2c1 CCN(CC)[*:1] CCCCC(=O)Nc1ccc2sc([nH+]c(=O)c2c1)[*:1]
CCCCC(=O)Nc1ccc2sc(N(CC)CC)[nH+]c(=O)c2c1 CCCCC(=O)N[*:1] CCN(CC)c1[nH+]c(=O)c2cc(ccc2s1)[*:1]
CCCCC(=O)Nc1ccc2sc(N(CC)CC)[nH+]c(=O)c2c1 CCC[*:1] CCN(CC)c1[nH+]c(=O)c2cc(ccc2s1)NC(=O)C[*:1]
CCCCC(=O)Nc1ccc2sc(N(CC)CC)[nH+]c(=O)c2c1 CCCC[*:1] CCN(CC)c1[nH+]c(=O)c2cc(ccc2s1)NC(=O)[*:1]
CCOC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 CCOC(=O)[*:1] S=C(Nc1ccc(cc1)[*:1])Nc1ccc2CCCc2c1
COCCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 Cn1cc(cn1)[*:1] COCCN1C(=O)N(C(=O)C12CC[NH+](CC2)C[*:1])C(C)C
COCCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 Cn1cc(cn1)C[*:1] COCCN1C(=O)N(C(=O)C12CC[NH+](CC2)[*:1])C(C)C
COCCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 CC(C)[*:1] COCCN1C(=O)N(C(=O)C12CC[NH+](CC2)Cc1cnn(C)c1)[*:1]
COCCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 COCC[*:1] CC(C)N1C(=O)N(C2(CC[NH+](CC2)Cc2cnn(C)c2)C1=O)[*:1]
COCCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 COC[*:1] CC(C)N1C(=O)N(C[*:1])C2(CC[NH+](CC2)Cc2cnn(C)c2)C1=O
CC[NH2+][C@H](COC(C)C)Cc1cccnc1 CC(C)O[*:1] CC[NH2+][C@@H](Cc1cccnc1)C[*:1]
CC[NH2+][C@H](COC(C)C)Cc1cccnc1 CC(C)[*:1] CC[NH2+][C@H](CO[*:1])Cc1cccnc1
CC[NH2+][C@H](COC(C)C)Cc1cccnc1 CC(C)OC[*:1] CC[NH2+][C@H](Cc1cccnc1)[*:1]
COc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+]1CCCC1
COc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1cccc(c1)[*:1])[NH+]1CCCC1
COc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@](C)(NC(=O)Cc1cccc(F)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)Cc1cccc(F)c1)[*:1]
CC[C@@H]1NC(=O)[C@H](C)N(Cc2nc(C(C)(C)C)cs2)C1=O CC(C)(C)[*:1] CC[C@@H]1NC(=O)[C@H](C)N(Cc2nc(cs2)[*:1])C1=O
O=C1C[C@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2cc(F)ccc2N1 O=C(C[*:1])N1CCCC1 O=C1C[C@H](C(=O)N2CCN(CC2)[*:1])c2cc(F)ccc2N1
O=C1C[C@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2cc(F)ccc2N1 O=C(N1CCCC1)[*:1] O=C1C[C@H](C(=O)N2CCN(CC2)C[*:1])c2cc(F)ccc2N1
CC(C)CO[C@@H]1CC[C@](CO)([NH2+]C2CC2)C1 C1CC1[*:1] CC(C)CO[C@@H]1CC[C@@](CO)(C1)[NH2+][*:1]
CC(C)CO[C@@H]1CC[C@](CO)([NH2+]C2CC2)C1 CC(C)CO[*:1] OC[C@@]1(CC[C@H](C1)[*:1])[NH2+]C1CC1
CC(C)CO[C@@H]1CC[C@](CO)([NH2+]C2CC2)C1 CC(C)[*:1] OC[C@@]1(CC[C@H](C1)OC[*:1])[NH2+]C1CC1
CC(C)CO[C@@H]1CC[C@](CO)([NH2+]C2CC2)C1 CC(C)C[*:1] OC[C@@]1(CC[C@H](C1)O[*:1])[NH2+]C1CC1
CCC(=O)Nc1ccc(NC(=O)Cc2cccc3ccccc23)cc1 CCC(=O)N[*:1] O=C(Cc1cccc2ccccc12)Nc1ccc(cc1)[*:1]
CCOC(=O)/C(C#N)=C/N[C@](C)(C#N)C1CC1 C1CC1[*:1] CCOC(=O)/C(C#N)=C/N[C@](C)(C#N)[*:1]
CCOC(=O)/C(C#N)=C/N[C@](C)(C#N)C1CC1 CCOC(=O)[*:1] C[C@](C#N)(NC=C(C#N)[*:1])C1CC1
O=C(CCCC1CCCC1)N1CCCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(CCCC1CCCC1)N1CCCN(CC1)C(=O)[*:1]
O=C(CCCC1CCCC1)N1CCCN(C(=O)c2cccs2)CC1 C1CCC(C1)CC[*:1] O=C(C[*:1])N1CCCN(CC1)C(=O)c1cccs1
O=C(CCCC1CCCC1)N1CCCN(C(=O)c2cccs2)CC1 C1CCC(C1)[*:1] O=C(CCC[*:1])N1CCCN(CC1)C(=O)c1cccs1
O=C(CCCC1CCCC1)N1CCCN(C(=O)c2cccs2)CC1 C1CCC(C1)CCC[*:1] O=C(c1cccs1)N1CCCN(CC1)C(=O)[*:1]
O=C(CCCC1CCCC1)N1CCCN(C(=O)c2cccs2)CC1 C1CCC(C1)C[*:1] O=C(CC[*:1])N1CCCN(CC1)C(=O)c1cccs1
Cc1ccc(C(=O)Nc2cc(NC(=O)CS(C)(=O)=O)ccc2C)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1cc(ccc1C)NC(=O)C[*:1]
Cc1ccc(C(=O)Nc2cc(NC(=O)CS(C)(=O)=O)ccc2C)cc1 CS(=O)(=O)CC(=O)N[*:1] Cc1ccc(cc1)C(=O)Nc1cc(ccc1C)[*:1]
Cc1ccc(C(=O)Nc2cc(NC(=O)CS(C)(=O)=O)ccc2C)cc1 CS(=O)(=O)C[*:1] Cc1ccc(cc1)C(=O)Nc1cc(ccc1C)NC(=O)[*:1]
Cc1ccc(C(=O)Nc2cc(NC(=O)CS(C)(=O)=O)ccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[*:1])NC(=O)CS(C)(=O)=O
CC[C@H](C)NC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 CC[C@H](C)NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1cccc(Cl)c1
CC[C@H](C)NC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC[C@H](C)NC(=O)c1ccc(cc1)NC(=O)N[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 CC[C@H](C)[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])Nc1cccc(Cl)c1
C[C@H]1Sc2ccc(C(=O)OCc3cc(-c4ccco4)on3)cc2NC1=O c1coc(c1)[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)OCc1cc(on1)[*:1]
Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1F c1ccc2c(cccc2c1)[*:1] Cc1ccc(cc1F)NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1F Cc1ccc(cc1F)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1cccc2ccccc12
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1 O=[N+]([O-])[*:1] CCn1c(nnc1-c1ccccc1)SCC(=O)Nc1ccc(cc1C)[*:1]
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1ccc(cc1C)[N+](=O)[O-]
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H]1CCc2ccc(F)cc21 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)N[C@@H]1CCc2ccc(F)cc21)[*:1]
Cc1ccc([C@@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)N2CCOCC2)o1 Cc1ccc(o1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@@H](N1CCOCC1)[*:1]
Cc1ccc([C@@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)C[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc([C@@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)N2CCOCC2)o1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)C[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)C[C@H]2CCS(=O)(=O)C2)N2CCOCC2)o1 O=S1(=O)CC[C@@H](C1)C[*:1] Cc1ccc(o1)[C@@H](CNC(=O)[*:1])N1CCOCC1
CC(C)CCO[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 CC(C)CC[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 CC(C)C[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 CC(C)CCO[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 CC(C)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)Nc1cc(C#N)ccc1O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 CC(C)O[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)Nc1cc(C#N)ccc1[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 CC(C)[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C1)OCC[*:1]
Cc1ccccc1NC(=O)CCSc1nnc(-c2ccncc2)n1-c1ccccc1 Cc1ccccc1[*:1] O=C(CCSc1nnc(-c2ccncc2)n1-c1ccccc1)N[*:1]
Cc1ccccc1NC(=O)CCSc1nnc(-c2ccncc2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CCSc1nnc(-c2ccncc2)n1[*:1]
Cc1ccccc1NC(=O)CCSc1nnc(-c2ccncc2)n1-c1ccccc1 c1cc(ccn1)[*:1] Cc1ccccc1NC(=O)CCSc1nnc(n1-c1ccccc1)[*:1]
Cc1ccccc1NC(=O)CCSc1nnc(-c2ccncc2)n1-c1ccccc1 Cc1ccccc1NC(=O)[*:1] c1ccc(cc1)-n1c(nnc1-c1ccncc1)SCC[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)cc1 CN(C)C(=O)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(cc1)C(=O)N1C[C@H](Oc2ccccc21)[*:1]
CN(C)c1ccc(/C=N/OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CN(C)c1ccc(/C=N/OC(=O)c2cc(cc(c2)[*:1])[N+](=O)[O-])cc1
CN(C)c1ccc(/C=N/OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 CN(C)[*:1] O=C(O/N=C/c1ccc(cc1)[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc12 CC(C)C[*:1] Cc1cc(=O)oc2cc(ccc12)O[C@@H](C)C(=O)N[C@H](C(=O)[O-])[*:1]
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc12 O=C([O-])[*:1] Cc1cc(=O)oc2cc(ccc12)O[C@@H](C)C(=O)N[C@H](CC(C)C)[*:1]
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc12 CC(C)[*:1] Cc1cc(=O)oc2cc(ccc12)O[C@@H](C)C(=O)N[C@H](C[*:1])C(=O)[O-]
O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(n1)[*:1]
O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(n1)O[*:1]
O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(OCC(F)F)n1 FC(F)[*:1] O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(n1)OC[*:1]
CC[C@H](C)n1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl CC[C@H](C)[*:1] O=C(Nc1ccnn1[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
CC[C@H](C)n1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CC[C@H](C)n1nccc1NC(=O)c1cc(ccc1Cl)[*:1]
CC(C)(C)NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 CC(C)(C)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1
CC(C)(C)NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 CC(C)(C)NC(=O)[*:1] O=S1(=O)CC[C@H](C1)S(=O)(=O)c1cccc(c1)[*:1]
C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cn(C)nc1C(F)(F)F FC(F)(F)[*:1] C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cn(C)nc1[*:1]
CC[C@@H](NC(=O)NCc1scnc1C)C(C)(C)c1ccccc1 Cc1ncsc1[*:1] CC[C@@H](NC(=O)NC[*:1])C(C)(C)c1ccccc1
CC[C@@H](NC(=O)NCc1scnc1C)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)NCc1scnc1C)C(C)(C)[*:1]
CC[C@@H](NC(=O)NCc1scnc1C)C(C)(C)c1ccccc1 Cc1ncsc1C[*:1] CC[C@@H](NC(=O)N[*:1])C(C)(C)c1ccccc1
O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCc2ccccc21)N1CCN(CC1)C[*:1]
O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCc2ccccc21)N1CCN(CC1)[*:1]
CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CCn1c(nc2cc(ccc21)[*:1])SCC(=O)Nc1ccnn1C1CCCC1
CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2cc(S(N)(=O)=O)ccc21 c1cc(n(n1)C1CCCC1)[*:1] CCn1c(nc2cc(ccc21)S(N)(=O)=O)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2cc(S(N)(=O)=O)ccc21 C1CCC(C1)[*:1] CCn1c(nc2cc(ccc21)S(N)(=O)=O)SCC(=O)Nc1ccnn1[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1cccc(Cl)c1 COC(=O)[*:1] O=C(Cc1cccc(Cl)c1)N[C@H]1CCCC[C@H]1[*:1]
C/[NH+]=C(\NCc1cc(C#N)ccc1F)NCc1ccccc1Cl Clc1ccccc1[*:1] C/[NH+]=C(\NCc1cc(C#N)ccc1F)NC[*:1]
CCc1nn2c(=O)cc(COC(=O)c3c(-c4c(F)cccc4Cl)noc3C)nc2s1 Fc1cccc(Cl)c1[*:1] CCc1nn2c(=O)cc(COC(=O)c3c(noc3C)[*:1])nc2s1
CCCCCCn1c([C@@H](C)Cl)nc2c(CC)nn(C)c21 C[C@@H](Cl)[*:1] CCCCCCn1c(nc2c(CC)nn(C)c21)[*:1]
CCCCCCn1c([C@@H](C)Cl)nc2c(CC)nn(C)c21 CCCCC[*:1] CCc1nn(C)c2c1nc([C@@H](C)Cl)n2C[*:1]
CCCCCCn1c([C@@H](C)Cl)nc2c(CC)nn(C)c21 CCC[*:1] CCc1nn(C)c2c1nc([C@@H](C)Cl)n2CCC[*:1]
CCCCCCn1c([C@@H](C)Cl)nc2c(CC)nn(C)c21 CCCC[*:1] CCc1nn(C)c2c1nc([C@@H](C)Cl)n2CC[*:1]
CCCCCCn1c([C@@H](C)Cl)nc2c(CC)nn(C)c21 CCCCCC[*:1] CCc1nn(C)c2c1nc([C@@H](C)Cl)n2[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1ncc(Cl)n1C CC[C@@H](C)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1ncc(Cl)n1C
Nc1cccc(C(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c1 O=C([O-])[*:1] Nc1cccc(c1)C(=O)N[C@@H]1C=C[C@@H](C1)[*:1]
Cc1nccn1-c1ccc(CNC(=O)c2cccc(-n3cnnc3)c2)cc1 Cc1nccn1[*:1] O=C(NCc1ccc(cc1)[*:1])c1cccc(c1)-n1cnnc1
Cc1nccn1-c1ccc(CNC(=O)c2cccc(-n3cnnc3)c2)cc1 c1nncn1[*:1] Cc1nccn1-c1ccc(cc1)CNC(=O)c1cccc(c1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
CN(Cc1ccc(F)cc1)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(Cc1ccc(F)cc1)C(=O)C1CCN(CC1)S(=O)(=O)C=C[*:1]
CN(Cc1ccc(F)cc1)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 CN(Cc1ccc(F)cc1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CN(Cc1ccc(F)cc1)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 Fc1ccc(cc1)C[*:1] CN(C(=O)C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1)[*:1]
CCc1ccc(CN(C)C(=O)COc2cc(C)ccc2C(N)=O)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(C(N)=O)c(c1)OCC(=O)N(C)C[*:1]
CCc1ccc(CN(C)C(=O)COc2cc(C)ccc2C(N)=O)cc1 NC(=O)[*:1] CCc1ccc(cc1)CN(C)C(=O)COc1cc(C)ccc1[*:1]
CCC1(CC)C[NH+]([C@H](CCS(C)(=O)=O)C(=O)[O-])C1 O=C([O-])[*:1] CCC1(CC)C[NH+](C1)[C@H](CCS(C)(=O)=O)[*:1]
CCC1(CC)C[NH+]([C@H](CCS(C)(=O)=O)C(=O)[O-])C1 CS(=O)(=O)[*:1] CCC1(CC)C[NH+](C1)[C@H](CC[*:1])C(=O)[O-]
CCC1(CC)C[NH+]([C@H](CCS(C)(=O)=O)C(=O)[O-])C1 CS(=O)(=O)CC[*:1] CCC1(CC)C[NH+](C1)[C@H](C(=O)[O-])[*:1]
CCC1(CC)C[NH+]([C@H](CCS(C)(=O)=O)C(=O)[O-])C1 CS(=O)(=O)C[*:1] CCC1(CC)C[NH+](C1)[C@H](C[*:1])C(=O)[O-]
CC[NH2+][C@@H](c1ccc(C)s1)[C@@H](C)OC CO[C@H](C)[*:1] CC[NH2+][C@@H](c1ccc(C)s1)[*:1]
Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1[N-]S(C)(=O)=O Clc1cccc(c1Cl)[*:1] Cc1ccc(cc1[N-]S(C)(=O)=O)C(=O)N[C@H](C#N)[*:1]
Cc1cccc(OCCNC(=O)[C@@H](C)N2CCN(c3[nH+]ccn3C)CC2)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)NCC[*:1])N1CCN(CC1)c1[nH+]ccn1C
Cc1cccc(OCCNC(=O)[C@@H](C)N2CCN(c3[nH+]ccn3C)CC2)c1 Cc1cccc(c1)OC[*:1] C[C@H](C(=O)NC[*:1])N1CCN(CC1)c1[nH+]ccn1C
Cc1cccc(OCCNC(=O)[C@@H](C)N2CCN(c3[nH+]ccn3C)CC2)c1 Cc1cccc(c1)[*:1] C[C@H](C(=O)NCCO[*:1])N1CCN(CC1)c1[nH+]ccn1C
C=C(C)C[C@H]([NH2+]CC)c1ccc(F)cc1Cl C=C(C)C[*:1] CC[NH2+][C@H](c1ccc(F)cc1Cl)[*:1]
C=C(C)C[C@H]([NH2+]CC)c1ccc(F)cc1Cl C=C(C)[*:1] CC[NH2+][C@@H](C[*:1])c1ccc(F)cc1Cl
O=C(OCC(=O)N1CCc2ccccc21)c1ccsc1 c1cc(cs1)[*:1] O=C(COC(=O)[*:1])N1CCc2ccccc21
C[NH+](C)[C@H](CNC(=O)Cc1coc2cc3c(cc12)CCC3)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)Cc1coc2cc3CCCc3cc12)[*:1]
Cc1cc(S(=O)(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=S(=O)(N1CC[C@@H](Cc2ccc(cc2)CO)C1)[*:1]
Cc1cc(S(=O)(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)c(C)s1 OCc1ccc(cc1)[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CC[C@H](C1)C[*:1]
COCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(OC)c21 COC[*:1] COc1cccc2s/c(=N\C(=O)COc3ccccc3)n(C[*:1])c12
COCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(OC)c21 c1ccc(cc1)OC[*:1] COCCn1/c(=N/C(=O)[*:1])sc2cccc(OC)c21
COCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(OC)c21 c1ccc(cc1)O[*:1] COCCn1/c(=N/C(=O)C[*:1])sc2cccc(OC)c21
COCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(OC)c21 c1ccc(cc1)[*:1] COCCn1/c(=N/C(=O)CO[*:1])sc2cccc(OC)c21
COCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(OC)c21 COCC[*:1] COc1cccc2s/c(=N\C(=O)COc3ccccc3)n(c12)[*:1]
O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 c1ccc(cc1)C[*:1] O=C(C[*:1])N(Cc1cccnc1)c1nc2ccc(Br)cc2s1
O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 c1cncc(c1)[*:1] O=C(CCc1ccccc1)N(C[*:1])c1nc2ccc(Br)cc2s1
O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 c1cncc(c1)C[*:1] O=C(CCc1ccccc1)N(c1nc2ccc(Br)cc2s1)[*:1]
O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 c1ccc(cc1)CC[*:1] O=C(N(Cc1cccnc1)c1nc2ccc(Br)cc2s1)[*:1]
O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 c1ccc(cc1)[*:1] O=C(CC[*:1])N(Cc1cccnc1)c1nc2ccc(Br)cc2s1
Cc1cccc(NC(=O)CN2CCN(Cc3n[nH]c(=O)[nH]3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(CN1CCN(CC1)Cc1n[nH]c(=O)[nH]1)N[*:1]
Cc1cccc(NC(=O)CN2CCN(Cc3n[nH]c(=O)[nH]3)CC2)c1C O=c1[nH]nc(C[*:1])[nH]1 Cc1cccc(NC(=O)CN2CCN(CC2)[*:1])c1C
C[C@@H](CN(C)C(=O)C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CN(C)C(=O)C(=O)Nc1ccccc1N1CCCC1)[*:1]
C[C@@H](CN(C)C(=O)C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 C1CCN(C1)[*:1] C[C@@H](CN(C)C(=O)C(=O)Nc1ccccc1[*:1])c1ccccc1
O=C(COC(=O)c1ccc(Cl)nc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(COC(=O)c1ccc(Cl)nc1)Nc1cccc(c1)[*:1]
O=C(COC(=O)c1ccc(Cl)nc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 Clc1ccc(cn1)[*:1] O=C(COC(=O)[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCC1
CNC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1 CNC(=O)[*:1] CN(Cc1ccccc1)C1(Cc2ccccc2C1)[*:1]
CNC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1 c1ccc(cc1)C[*:1] CNC(=O)C1(Cc2ccccc2C1)N(C)[*:1]
CNC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1 c1ccc(cc1)[*:1] CNC(=O)C1(Cc2ccccc2C1)N(C)C[*:1]
CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 CCCC[*:1] COc1ccc(C)cc1N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 CCC[*:1] COc1ccc(C)cc1N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)C[*:1]
CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 COc1ccc(C)cc1[*:1] CCCCc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1cc(C(C)=O)ccc1OC(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC(=O)C=C[*:1])C(C)=O
COc1cc(C(C)=O)ccc1OC(=O)/C=C/c1ccccc1 CC(=O)[*:1] COc1cc(ccc1OC(=O)/C=C/c1ccccc1)[*:1]
Cc1ccc(NC(=O)[C@H](C)c2ccsc2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(NC(=O)[C@H](C)c2ccsc2)c(c1)OC[*:1]
Cc1ccc(NC(=O)[C@H](C)c2ccsc2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] Cc1ccc(NC(=O)[C@H](C)c2ccsc2)c(c1)O[*:1]
Cc1ccc(NC(=O)[C@H](C)c2ccsc2)c(OC[C@@H]2CCCO2)c1 C[C@H](c1ccsc1)[*:1] Cc1ccc(NC(=O)[*:1])c(c1)OC[C@@H]1CCCO1
Cc1ccc(NC(=O)[C@H](C)c2ccsc2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] Cc1ccc(NC(=O)[C@H](C)c2ccsc2)c(c1)[*:1]
Cc1ccc(NC(=O)[C@H](C)c2ccsc2)c(OC[C@@H]2CCCO2)c1 c1cc(cs1)[*:1] Cc1ccc(NC(=O)[C@H](C)[*:1])c(c1)OC[C@@H]1CCCO1
CCN(C(=O)c1cc(C)c(C#CCO)s1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)c1cc(C)c(C#CCO)s1)[*:1]
CCN(C(=O)c1cc(C)c(C#CCO)s1)C1CCCCC1 OCC#C[*:1] CCN(C(=O)c1cc(C)c(s1)[*:1])C1CCCCC1
CCC(CC)NC(=O)c1ccc(OC(C)C)c(OC)c1 CCC(CC)[*:1] COc1cc(ccc1OC(C)C)C(=O)N[*:1]
CCC(CC)NC(=O)c1ccc(OC(C)C)c(OC)c1 CC(C)[*:1] CCC(CC)NC(=O)c1ccc(O[*:1])c(c1)OC
CCC(CC)NC(=O)c1ccc(OC(C)C)c(OC)c1 CC(C)O[*:1] CCC(CC)NC(=O)c1ccc(c(c1)OC)[*:1]
Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)c1 Cc1cccc(c1)[*:1] O=C(NC[C@@H]1CCCO1)c1c(NC(=O)[*:1])sc2CCCc21
Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)c1 O=C(NC[C@@H]1CCCO1)[*:1] Cc1cccc(c1)C(=O)Nc1sc2CCCc2c1[*:1]
COC(=O)CCCNC(=O)c1cc(F)ccc1Br COC(=O)CC[*:1] O=C(NC[*:1])c1cc(F)ccc1Br
COC(=O)CCCNC(=O)c1cc(F)ccc1Br COC(=O)[*:1] O=C(NCCC[*:1])c1cc(F)ccc1Br
COC(=O)CCCNC(=O)c1cc(F)ccc1Br COC(=O)C[*:1] O=C(NCC[*:1])c1cc(F)ccc1Br
COc1ccccc1CCNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O COc1ccccc1[*:1] O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCC[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(F)cc2)cc1 CC(C)CC(=O)N[*:1] O=C(CNc1ccc(F)cc1)Nc1ccc(cc1)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(F)cc2)cc1 Fc1ccc(cc1)N[*:1] CC(C)CC(=O)Nc1ccc(cc1)NC(=O)C[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(C)CC(=O)Nc1ccc(cc1)NC(=O)CN[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(F)cc2)cc1 CC(C)[*:1] O=C(CNc1ccc(F)cc1)Nc1ccc(cc1)NC(=O)C[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(F)cc2)cc1 CC(C)C[*:1] O=C(CNc1ccc(F)cc1)Nc1ccc(cc1)NC(=O)[*:1]
CCNC(=O)CCCC(=O)Nc1cnc(Cl)c(C)c1 CCNC(=O)[*:1] Cc1cc(cnc1Cl)NC(=O)CCC[*:1]
CCNC(=O)CCCC(=O)Nc1cnc(Cl)c(C)c1 CCNC(=O)C[*:1] Cc1cc(cnc1Cl)NC(=O)CC[*:1]
CC(C)CN1CNC(=S)NC1 CC(C)[*:1] S=C1NCN(CN1)C[*:1]
Cc1c(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)N1CCN(CC1)[*:1] Cc1c(NC(=O)c2ccc(cc2)C[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)c2ccc(cc2)CN2CCN(CC2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)c2ccc(cc2)CN2CCN(CC2)c2ccccc2)c(=O)n(n1C)[*:1]
O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 FC(F)(F)[*:1] O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(ccc1-n1cncn1)[*:1]
O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 c1ncn(n1)[*:1] O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(ccc1[*:1])C(F)(F)F
Brc1ccccc1[C@@H]1C[NH2+]CC[C@]12CCC[C@H](C1CC1)C2 Brc1ccccc1[*:1] C1C[C@@H](C[C@]2(C1)CC[NH2+]C[C@H]2[*:1])C1CC1
Brc1ccccc1[C@@H]1C[NH2+]CC[C@]12CCC[C@H](C1CC1)C2 C1CC1[*:1] Brc1ccccc1[C@@H]1C[NH2+]CC[C@]12CCC[C@H](C2)[*:1]
Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccs2)n1 Cc1cc(Br)ccc1[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1cccs1)N[*:1]
Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccs2)n1 C(=N/N[*:1])\c1cccs1 Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c(n1)[*:1]
Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccs2)n1 c1csc(c1)[*:1] Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c(n1)NN=C[*:1]
COc1ccc(C)cc1NC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)N1CCN(CC1)[*:1]
C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC(NS(C)(=O)=O)CC1 CS(=O)(=O)N[*:1] C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC(CC1)[*:1]
C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC(NS(C)(=O)=O)CC1 Fc1ccc(cc1F)[*:1] C[C@H](O[*:1])C(=O)N1CCC(CC1)NS(C)(=O)=O
CCc1ccc([C@H]2COCCN2S(=O)(=O)CCc2ccccc2)o1 c1ccc(cc1)C[*:1] CCc1ccc(o1)[C@H]1COCCN1S(=O)(=O)C[*:1]
CCc1ccc([C@H]2COCCN2S(=O)(=O)CCc2ccccc2)o1 CCc1ccc(o1)[*:1] O=S(=O)(CCc1ccccc1)N1CCOC[C@@H]1[*:1]
CCc1ccc([C@H]2COCCN2S(=O)(=O)CCc2ccccc2)o1 c1ccc(cc1)[*:1] CCc1ccc(o1)[C@H]1COCCN1S(=O)(=O)CC[*:1]
CCc1ccc([C@H]2COCCN2S(=O)(=O)CCc2ccccc2)o1 c1ccc(cc1)CC[*:1] CCc1ccc(o1)[C@H]1COCCN1S(=O)(=O)[*:1]
CC(C)(C)[C@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NCc1csc(n1)-c1ccc2OCOc2c1)[*:1]
CC(C)(C)[C@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NCc1csc(n1)-c1ccc2OCOc2c1)[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCC3)c(Cl)n1 Cc1ccc(c(Cl)n1)[*:1] O=C(NCc1ccc2CCCc2c1)C(=O)N[*:1]
Cc1cc(CNC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)ccc1F Cc1cc(ccc1F)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)NC[*:1])c1=O
Cc1cc(CNC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)ccc1F Cn1cnn(c1=O)[*:1] Cc1cc(ccc1F)CNC(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)C(=O)NCCc1c[nH]c2ccc(C)cc12 CC[C@@H](C)[*:1] Cc1ccc2[nH]cc(CCNC(=O)[*:1])c2c1
N#CCCn1cc(/C=C/c2nc(-c3cnccn3)no2)c2ccccc21 c1cnc(cn1)[*:1] N#CCCn1cc(/C=C/c2nc(no2)[*:1])c2ccccc21
N#CCCn1cc(/C=C/c2nc(-c3cnccn3)no2)c2ccccc21 N#CCC[*:1] C(=C/c1cn(c2ccccc12)[*:1])\c1nc(no1)-c1cnccn1
N#CCCn1cc(/C=C/c2nc(-c3cnccn3)no2)c2ccccc21 N#CC[*:1] C(=C/c1cn(C[*:1])c2ccccc12)\c1nc(no1)-c1cnccn1
COc1ccc(Cl)c(NNC(=O)NCCNC(=O)C(C)C)c1 CC(C)C(=O)NC[*:1] COc1ccc(Cl)c(c1)NNC(=O)NC[*:1]
COc1ccc(Cl)c(NNC(=O)NCCNC(=O)C(C)C)c1 CC(C)C(=O)N[*:1] COc1ccc(Cl)c(c1)NNC(=O)NCC[*:1]
COc1ccc(Cl)c(NNC(=O)NCCNC(=O)C(C)C)c1 CC(C)[*:1] COc1ccc(Cl)c(c1)NNC(=O)NCCNC(=O)[*:1]
Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3F)n2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(nc1SCC(=O)Nc1ccccc1F)[*:1]
Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3F)n2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-c1ccc(C#N)c(n1)SCC(=O)N[*:1]
COc1ccc(OC)c(CCN2C(=O)c3cc4oc(C)cc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 COc1ccc(OC)c(c1)[*:1] Cc1cc2c(cc3C(=O)N(CC[*:1])[C@](C)(Cn32)C(=O)NC2CCCCC2)o1
COc1ccc(OC)c(CCN2C(=O)c3cc4oc(C)cc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 O=C(NC1CCCCC1)[*:1] COc1ccc(OC)c(c1)CCN1C(=O)c2cc3oc(C)cc3n2C[C@@]1(C)[*:1]
COc1ccc(OC)c(CCN2C(=O)c3cc4oc(C)cc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] COc1ccc(OC)c(c1)CCN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)N[*:1]
COc1ccc(OC)c(CCN2C(=O)c3cc4oc(C)cc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 COc1ccc(OC)c(c1)C[*:1] Cc1cc2c(cc3C(=O)N(C[*:1])[C@](C)(Cn32)C(=O)NC2CCCCC2)o1
COc1ccc(OC)c(CCN2C(=O)c3cc4oc(C)cc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 COc1ccc(OC)c(c1)CC[*:1] Cc1cc2c(cc3C(=O)N([C@](C)(Cn32)C(=O)NC2CCCCC2)[*:1])o1
C[C@@H](CC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] N#C[C@H](C(=O)C[*:1])c1ccc(cn1)C(F)(F)F
C[C@@H](CC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1)c1ccccc1 FC(F)(F)[*:1] C[C@@H](CC(=O)[C@@H](C#N)c1ccc(cn1)[*:1])c1ccccc1
C[C@@H](CC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)[C@@H](C#N)c1ccc(cn1)C(F)(F)F)[*:1]
Cc1nccc(N2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)n1 c1ccc(cc1)[*:1] Cc1nccc(n1)N1CCc2onc(c2C1)C(c1ccccc1)[*:1]
Cc1nccc(N2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)n1 Cc1nccc(n1)[*:1] c1ccc(cc1)C(c1ccccc1)c1noc2CCN(Cc12)[*:1]
COc1ccc(NC(=S)N(Cc2ccncc2)C2CCCCC2)cc1 c1cc(ccn1)C[*:1] COc1ccc(cc1)NC(=S)N(C1CCCCC1)[*:1]
COc1ccc(NC(=S)N(Cc2ccncc2)C2CCCCC2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)NC(=S)N(C[*:1])C1CCCCC1
COc1ccc(NC(=S)N(Cc2ccncc2)C2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)NC(=S)N(Cc1ccncc1)[*:1]
COc1ccc(NC(=S)N(Cc2ccncc2)C2CCCCC2)cc1 COc1ccc(cc1)[*:1] S=C(N[*:1])N(Cc1ccncc1)C1CCCCC1
Cc1ncc(C(=O)N2CCNC[C@@H]2C(=O)Nc2ccc(F)cc2)c(C)n1 Fc1ccc(cc1)[*:1] Cc1ncc(C(=O)N2CCNC[C@@H]2C(=O)N[*:1])c(C)n1
Cc1ncc(C(=O)N2CCNC[C@@H]2C(=O)Nc2ccc(F)cc2)c(C)n1 Cc1ncc(c(C)n1)[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CNCCN1C(=O)[*:1]
Cc1ccc(CCC(=O)NCc2cc[nH]n2)cc1Cl c1cc(C[*:1])n[nH]1 Cc1ccc(cc1Cl)CCC(=O)N[*:1]
Cc1ccc(CCC(=O)NCc2cc[nH]n2)cc1Cl c1cc(n[nH]1)[*:1] Cc1ccc(cc1Cl)CCC(=O)NC[*:1]
N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@@H]1[*:1])c1sc2CCCCCc2c1C#N
N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@H]1c1cccc(c1)[*:1])c1sc2CCCCCc2c1C#N
CCc1cc(=O)n(CC(=O)Nc2cc(F)ccc2F)c(N2CCOCC2)n1 Fc1ccc(F)c(c1)[*:1] CCc1cc(=O)n(CC(=O)N[*:1])c(n1)N1CCOCC1
CCc1cc(=O)n(CC(=O)Nc2cc(F)ccc2F)c(N2CCOCC2)n1 C1CN(CCO1)[*:1] CCc1cc(=O)n(CC(=O)Nc2cc(F)ccc2F)c(n1)[*:1]
C[C@H]([NH3+])CC(=O)N1CC(C(=O)[O-])C1 C[C@H]([NH3+])C[*:1] O=C([O-])C1CN(C1)C(=O)[*:1]
C[C@H]([NH3+])CC(=O)N1CC(C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]([NH3+])CC(=O)N1CC(C1)[*:1]
C[C@@H](CC(=O)[O-])NC(=O)/C=C/c1cccnc1 O=C([O-])C[*:1] C[C@@H](NC(=O)/C=C/c1cccnc1)[*:1]
C[C@@H](CC(=O)[O-])NC(=O)/C=C/c1cccnc1 O=C([O-])[*:1] C[C@@H](C[*:1])NC(=O)/C=C/c1cccnc1
O=C(CCC(=O)Nc1ccccc1Cl)N/N=C/c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(CCC(=O)Nc1ccccc1Cl)NN=C[*:1]
O=C(CCC(=O)Nc1ccccc1Cl)N/N=C/c1cccc(Cl)c1Cl Clc1ccccc1[*:1] O=C(CCC(=O)N[*:1])N/N=C/c1cccc(Cl)c1Cl
CC(C)(C)C[C@@H](O)[C@@H](F)C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@H](F)[C@H](O)C[*:1]
CC(C)(C)C[C@@H](O)[C@@H](F)C(=O)[O-] O=C([O-])[*:1] CC(C)(C)C[C@@H](O)[C@@H](F)[*:1]
Cc1ccc(OCCN(C)C(=O)C(=O)Nc2cc(C)ccc2F)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)N(C)CCO[*:1]
Cc1ccc(OCCN(C)C(=O)C(=O)Nc2cc(C)ccc2F)cc1 Cc1ccc(cc1)O[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)N(C)CC[*:1]
Cc1ccc(OCCN(C)C(=O)C(=O)Nc2cc(C)ccc2F)cc1 Cc1ccc(F)c(c1)[*:1] Cc1ccc(cc1)OCCN(C)C(=O)C(=O)N[*:1]
CCCCN(CC)c1ccc(C(=O)N2CC[C@H](C)[C@H](O)C2)cc1 CCCCN(CC)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1ccc(cc1)[*:1]
CCCCN(CC)c1ccc(C(=O)N2CC[C@H](C)[C@H](O)C2)cc1 CCCC[*:1] CCN(c1ccc(cc1)C(=O)N1CC[C@H](C)[C@H](O)C1)[*:1]
CCCCN(CC)c1ccc(C(=O)N2CC[C@H](C)[C@H](O)C2)cc1 CCC[*:1] CCN(C[*:1])c1ccc(cc1)C(=O)N1CC[C@H](C)[C@H](O)C1
CC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 CC(=O)C[*:1] O=S(=O)(c1ccccc1)N1CCCC[C@H]1[*:1]
CC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 CC(=O)[*:1] O=S(=O)(c1ccccc1)N1CCCC[C@H]1C[*:1]
CC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)C[C@@H]1CCCCN1S(=O)(=O)[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC(O)(CC1)[*:1]
COc1ccc2nc(OC3CCN(C(=O)c4cn(C)nc4OC)CC3)sc2c1 COc1nn(C)cc1[*:1] COc1ccc2nc(OC3CCN(CC3)C(=O)[*:1])sc2c1
CCOC(=O)CN[C@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 CCOC(=O)C[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@@H]1N[*:1]
CCOC(=O)CN[C@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 CCOC(=O)[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@@H]1NC[*:1]
CCC(C)(C)N(C)C(=O)c1cc(Cl)c2c(c1)OCCO2 CCC(C)(C)[*:1] CN(C(=O)c1cc(Cl)c2OCCOc2c1)[*:1]
C[NH+](C)CCNC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc12 Clc1cccc(c1)[*:1] C[NH+](C)CCNC(=O)c1cc(nc2ccccc12)[*:1]
COc1ccc(C)cc1[C@H](C)NC(=O)c1ccccc1C Cc1ccccc1[*:1] COc1ccc(C)cc1[C@H](C)NC(=O)[*:1]
Cc1sc2nc([C@@H](C)N[C@H](C)[C@@H](C)n3cccn3)[nH]c(=O)c2c1C c1cnn(c1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@@H](C)N[C@H](C)[C@@H](C)[*:1]
Cc1sc2nc([C@@H](C)N[C@H](C)[C@@H](C)n3cccn3)[nH]c(=O)c2c1C C[C@@H](n1cccn1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@@H](C)N[C@H](C)[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc3[nH]ccc3n2)cc1 CC(C)NC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc2[nH]ccc2n1
CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc3[nH]ccc3n2)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccc2[nH]ccc2n1)N[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc3[nH]ccc3n2)cc1 CC(C)NC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2[nH]ccc2n1
CCOC(=O)C1=C(C)[C@@H](C(=O)Nc2ccc(C)cc2)C(C)=N1 CCOC(=O)[*:1] CC1=NC(=C(C)[C@H]1C(=O)Nc1ccc(C)cc1)[*:1]
CCOC(=O)C1=C(C)[C@@H](C(=O)Nc2ccc(C)cc2)C(C)=N1 Cc1ccc(cc1)[*:1] CCOC(=O)C1N=C(C)[C@H](C(=O)N[*:1])C=1C
O=C1CCCN1c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 O=C1CCCN1[*:1] O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(cc1)[*:1]
O=C1CCCN1c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 C1CC[C@@H](OC1)[*:1] O=C1CCCN1c1ccc(cc1)[N-]S(=O)(=O)C[*:1]
Cc1nccn1-c1cc(CNC(=O)CCN2C(=O)CSc3ccccc32)ccn1 Cc1nccn1[*:1] O=C(CCN1C(=O)CSc2ccccc21)NCc1ccnc(c1)[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCCCC2)cc1 COc1ccc(cc1)[*:1] CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCCCC2)cc1 C1CCCC(CCC1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N[*:1]
Cc1sc(C(=O)N[C@H](CO)c2ccccc2F)cc1[N+](=O)[O-] Fc1ccccc1[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)N[C@H](CO)[*:1]
Cc1sc(C(=O)N[C@H](CO)c2ccccc2F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1sc(cc1[*:1])C(=O)N[C@H](CO)c1ccccc1F
Cn1cc(C(=O)CSc2nncn2CCc2ccccn2)cn1 Cn1cc(cn1)[*:1] O=C(CSc1nncn1CCc1ccccn1)[*:1]
Cn1cc(C(=O)CSc2nncn2CCc2ccccn2)cn1 c1ccc(C[*:1])nc1 Cn1cc(cn1)C(=O)CSc1nncn1C[*:1]
Cn1cc(C(=O)CSc2nncn2CCc2ccccn2)cn1 c1ccc(nc1)[*:1] Cn1cc(cn1)C(=O)CSc1nncn1CC[*:1]
CN1N=C(c2ccc(Cl)cc2)/C(=N/Nc2ccccc2F)C1=N Clc1ccc(cc1)[*:1] CN1N=C(/C(=N/Nc2ccccc2F)C1=N)[*:1]
CN1N=C(c2ccc(Cl)cc2)/C(=N/Nc2ccccc2F)C1=N Fc1ccccc1[*:1] CN1N=C(/C(=N/N[*:1])C1=N)c1ccc(Cl)cc1
O=C(COc1ccccc1F)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 O=C(Nc1ccccc1F)[*:1] O=C(COc1ccccc1F)Nc1c(oc2ccccc12)[*:1]
O=C(COc1ccccc1F)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 Fc1ccccc1[*:1] O=C(COc1ccccc1F)Nc1c(oc2ccccc12)C(=O)N[*:1]
O=C(COc1ccccc1F)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 Fc1ccccc1OC[*:1] O=C(Nc1ccccc1F)c1oc2ccccc2c1NC(=O)[*:1]
O=C(COc1ccccc1F)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 Fc1ccccc1O[*:1] O=C(C[*:1])Nc1c(oc2ccccc12)C(=O)Nc1ccccc1F
O=C(COc1ccccc1F)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 Fc1ccccc1[*:1] O=C(CO[*:1])Nc1c(oc2ccccc12)C(=O)Nc1ccccc1F
N#Cc1ccccc1CS(=O)(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 O=C(NC[C@@H]1CCCO1)[*:1] N#Cc1ccccc1CS(=O)(=O)Nc1ccccc1[*:1]
N#Cc1ccccc1CS(=O)(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 N#Cc1ccccc1C[*:1] O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)[*:1]
N#Cc1ccccc1CS(=O)(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 N#Cc1ccccc1[*:1] O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)C[*:1]
CCSc1ncc(Cl)c(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 c1ccc(cc1)[*:1] CCSc1ncc(Cl)c(n1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCSc1ncc(Cl)c(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 c1ccc(cc1)C[*:1] CCSc1ncc(Cl)c(n1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCSc1ncc(Cl)c(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 CCS[*:1] O=C(c1nc(ncc1Cl)[*:1])N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1
CC(C)(c1ccccc1)[C@@H](OC(=O)c1ccc(C(N)=O)cc1)C(F)(F)F c1ccc(cc1)[*:1] CC(C)([C@@H](OC(=O)c1ccc(cc1)C(N)=O)C(F)(F)F)[*:1]
CC(C)(c1ccccc1)[C@@H](OC(=O)c1ccc(C(N)=O)cc1)C(F)(F)F NC(=O)[*:1] CC(C)(c1ccccc1)[C@@H](OC(=O)c1ccc(cc1)[*:1])C(F)(F)F
CC(C)(c1ccccc1)[C@@H](OC(=O)c1ccc(C(N)=O)cc1)C(F)(F)F FC(F)(F)[*:1] CC(C)(c1ccccc1)[C@@H](OC(=O)c1ccc(cc1)C(N)=O)[*:1]
COc1ncccc1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 COc1ncccc1[*:1] C[C@@]1(NC(=O)NC1=O)c1cccc(c1)NC(=O)[*:1]
Cc1ccc(-n2nc(C)c3c(C(=O)NCC[NH+]4CCCC4)cc(C)nc32)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C(=O)NCC[NH+]2CCCC2)c2c(C)nn(c2n1)[*:1]
C[C@@]1(c2ccccc2F)NC(=O)N(Cc2cccc(C#N)c2)C1=O Fc1ccccc1[*:1] C[C@]1(NC(=O)N(Cc2cccc(C#N)c2)C1=O)[*:1]
C[C@@]1(c2ccccc2F)NC(=O)N(Cc2cccc(C#N)c2)C1=O N#Cc1cccc(c1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1F
C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)N1CCOCC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1csc(n1)[*:1])C(=O)N1CCOCC1
C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@H](NC(=O)c1csc(n1)-c1ccccc1)[*:1]
CC(C)(CCC(=O)OC(C)(C)C)NC(=O)c1c[nH]c2cccc(F)c12 CC(C)(C)OC(=O)C[*:1] CC(C)(C[*:1])NC(=O)c1c[nH]c2cccc(F)c12
CC(C)(CCC(=O)OC(C)(C)C)NC(=O)c1c[nH]c2cccc(F)c12 CC(C)(C)OC(=O)[*:1] CC(C)(CC[*:1])NC(=O)c1c[nH]c2cccc(F)c12
CC(C)(CCC(=O)OC(C)(C)C)NC(=O)c1c[nH]c2cccc(F)c12 CC(C)(C)[*:1] CC(C)(CCC(=O)O[*:1])NC(=O)c1c[nH]c2cccc(F)c12
Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(CCS(C)(=O)=O)CC3)cc2)n1 CS(=O)(=O)[*:1] Cc1cc(C)n(Cc2ccc(cc2)C(=O)N2CCN(CC2)CC[*:1])n1
Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(CCS(C)(=O)=O)CC3)cc2)n1 Cc1cc(C)n(C[*:1])n1 CS(=O)(=O)CCN1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(CCS(C)(=O)=O)CC3)cc2)n1 CS(=O)(=O)CC[*:1] Cc1cc(C)n(Cc2ccc(cc2)C(=O)N2CCN(CC2)[*:1])n1
Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(CCS(C)(=O)=O)CC3)cc2)n1 CS(=O)(=O)C[*:1] Cc1cc(C)n(Cc2ccc(cc2)C(=O)N2CCN(CC2)C[*:1])n1
Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(CCS(C)(=O)=O)CC3)cc2)n1 Cc1cc(C)n(n1)[*:1] CS(=O)(=O)CCN1CCN(CC1)C(=O)c1ccc(cc1)C[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Br)cc2)CC1 Clc1ccc(cc1)[*:1] O=S(=O)(N1CCC(O)(CC1)CSc1ccc(Br)cc1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Br)cc2)CC1 Brc1ccc(cc1)S[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(CC1)C[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(CC1)CS[*:1]
COCCc1noc([C@H]2CCCN(Cc3c(C)[nH+]c4ccccn34)C2)n1 COC[*:1] Cc1[nH+]c2ccccn2c1CN1CCC[C@@H](C1)c1nc(C[*:1])no1
COCCc1noc([C@H]2CCCN(Cc3c(C)[nH+]c4ccccn34)C2)n1 COCC[*:1] Cc1[nH+]c2ccccn2c1CN1CCC[C@@H](C1)c1nc(no1)[*:1]
COc1cc(/C=C/C(=O)c2cccc(C#N)c2)cc(OC)c1OC(F)F N#Cc1cccc(c1)[*:1] COc1cc(/C=C/C(=O)[*:1])cc(OC)c1OC(F)F
COc1cc(/C=C/C(=O)c2cccc(C#N)c2)cc(OC)c1OC(F)F FC(F)O[*:1] COc1cc(/C=C/C(=O)c2cccc(C#N)c2)cc(OC)c1[*:1]
COc1cc(/C=C/C(=O)c2cccc(C#N)c2)cc(OC)c1OC(F)F FC(F)[*:1] COc1cc(/C=C/C(=O)c2cccc(C#N)c2)cc(OC)c1O[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)NCC(C)(C)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)NCC(C)(C)C[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)NCC(C)(C)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)NCC(C)(C)[*:1]
C[C@@](CO)(NC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] C[C@@](CO)(NC(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
C[C@@](CO)(NC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] C[C@@](CO)(NC(=O)Nc1cccc(c1)[*:1])C1CC1
CCOC1CCN(C(=O)NCC(=O)NCc2ccco2)CC1 c1coc(c1)C[*:1] CCOC1CCN(CC1)C(=O)NCC(=O)N[*:1]
CCOC1CCN(C(=O)NCC(=O)NCc2ccco2)CC1 c1coc(c1)[*:1] CCOC1CCN(CC1)C(=O)NCC(=O)NC[*:1]
CCOC1CCN(C(=O)NCC(=O)NCc2ccco2)CC1 CCO[*:1] O=C(CNC(=O)N1CCC(CC1)[*:1])NCc1ccco1
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NC[*:1]
C[C@@H](NC(=O)N[C@@H]1CCC[C@H]1C(N)=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)N[C@@H]1CCC[C@H]1C(N)=O)[*:1]
C[C@@H](NC(=O)N[C@@H]1CCC[C@H]1C(N)=O)c1ccc(Cl)s1 NC(=O)[*:1] C[C@@H](NC(=O)N[C@@H]1CCC[C@@H]1[*:1])c1ccc(Cl)s1
Cc1cc(NC(=O)CS[C@H](C)c2cccs2)n(C)n1 c1csc(c1)[*:1] Cc1cc(NC(=O)CS[C@H](C)[*:1])n(C)n1
Cc1nn(-c2ccccc2)cc1CCCNC(=O)Cc1c(F)cccc1F c1ccc(cc1)[*:1] Cc1nn(cc1CCCNC(=O)Cc1c(F)cccc1F)[*:1]
Cc1nn(-c2ccccc2)cc1CCCNC(=O)Cc1c(F)cccc1F Fc1cccc(F)c1[*:1] Cc1nn(cc1CCCNC(=O)C[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)cc1CCCNC(=O)Cc1c(F)cccc1F Fc1cccc(F)c1C[*:1] Cc1nn(cc1CCCNC(=O)[*:1])-c1ccccc1
CCOC(=O)c1cnc2ccc(Cl)cc2c1NCc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1cnc2ccc(Cl)cc2c1NC[*:1]
CCOC(=O)c1cnc2ccc(Cl)cc2c1NCc1ccccc1 c1ccc(cc1)CN[*:1] CCOC(=O)c1cnc2ccc(Cl)cc2c1[*:1]
CCOC(=O)c1cnc2ccc(Cl)cc2c1NCc1ccccc1 CCOC(=O)[*:1] Clc1ccc2ncc(c(NCc3ccccc3)c2c1)[*:1]
CCOC(=O)c1cnc2ccc(Cl)cc2c1NCc1ccccc1 c1ccc(cc1)C[*:1] CCOC(=O)c1cnc2ccc(Cl)cc2c1N[*:1]
O=C(NCc1ccc(O)cc1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(NCc1ccc(O)cc1)N1CCOC[C@H]1[*:1]
COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)s1 COC(=O)[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)c1ccc(s1)[*:1]
COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)s1 CC(C)(C)NC(=O)[*:1] COC(=O)c1ccc(s1)C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)s1 CC(C)(C)[*:1] COC(=O)c1ccc(s1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N(C)CCOc2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N(C)CCO[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N(C)CCOc2ccccc2F)c1 CN(C)C(=O)N[*:1] Cc1ccc(c(c1)C(=O)N(C)CCOc1ccccc1F)[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N(C)CCOc2ccccc2F)c1 Fc1ccccc1OC[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N(C)C[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N(C)CCOc2ccccc2F)c1 Fc1ccccc1O[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N(C)CC[*:1]
COC(=O)C[C@H](C)NC(=O)c1ccnc2ccccc12 COC(=O)[*:1] C[C@@H](C[*:1])NC(=O)c1ccnc2ccccc12
COC(=O)C[C@H](C)NC(=O)c1ccnc2ccccc12 COC(=O)C[*:1] C[C@H](NC(=O)c1ccnc2ccccc12)[*:1]
c1ccc(CCn2nnnc2[C@@H](c2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)CCn1nnnc1[C@@H](N1CCN(CC1)c1nc2ccccc2s1)[*:1]
c1ccc(CCn2nnnc2[C@@H](c2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 c1ccc(cc1)CC[*:1] c1ccc(cc1)[C@H](c1nnnn1[*:1])N1CCN(CC1)c1nc2ccccc2s1
c1ccc(CCn2nnnc2[C@@H](c2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)[C@H](c1nnnn1CC[*:1])N1CCN(CC1)c1nc2ccccc2s1
c1ccc(CCn2nnnc2[C@@H](c2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 c1ccc2sc(nc2c1)[*:1] c1ccc(cc1)CCn1nnnc1[C@@H](c1ccccc1)N1CCN(CC1)[*:1]
c1ccc(CCn2nnnc2[C@@H](c2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)[C@H](c1nnnn1C[*:1])N1CCN(CC1)c1nc2ccccc2s1
CCOC(=O)c1[nH]ncc1CN1CCC[C@H](c2nncn2C)C1 CCOC(=O)[*:1] Cn1cnnc1[C@H]1CCCN(Cc2cn[nH]c2[*:1])C1
CCOC(=O)c1[nH]ncc1CN1CCC[C@H](c2nncn2C)C1 Cn1cnnc1[*:1] CCOC(=O)c1[nH]ncc1CN1CCC[C@H](C1)[*:1]
COc1cc([C@@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)ccc1O COc1cc(ccc1O)[*:1] Cn1c2NC3=C(C(=O)c4ccccc43)[C@H](c2c(=O)[nH]c1=O)[*:1]
C[NH2+][C@H](c1cc(C(F)(F)F)ccc1F)C1CCOCC1 FC(F)(F)[*:1] C[NH2+][C@H](c1cc(ccc1F)[*:1])C1CCOCC1
C[NH2+][C@H](c1cc(C(F)(F)F)ccc1F)C1CCOCC1 C1CC(CCO1)[*:1] C[NH2+][C@H](c1cc(ccc1F)C(F)(F)F)[*:1]
COc1cc(OC)cc(N2C[C@H](C(=O)Nc3cccc(C)c3C)CC2=O)c1 Cc1cccc(c1C)[*:1] COc1cc(cc(c1)N1C[C@@H](CC1=O)C(=O)N[*:1])OC
O=C(Nc1nccs1)c1ccc(-c2ccc(F)c(Cl)c2)o1 c1csc(n1)[*:1] O=C(N[*:1])c1ccc(o1)-c1ccc(F)c(Cl)c1
O=C1Nc2ccccc2[C@@H]1Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C1Nc2ccccc2[C@@H]1Cc1ccc(cc1)[*:1]
O=C1Nc2ccccc2[C@@H]1Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C1Nc2ccccc2[C@@H]1Cc1ccc(cc1)O[*:1]
O=C(NCCc1nnc2ccccn12)c1ccc(C2CCCCC2)cc1 C1CCC(CC1)[*:1] O=C(NCCc1nnc2ccccn12)c1ccc(cc1)[*:1]
COc1ccccc1-c1nnc(SCc2cc(=O)n3ccsc3n2)n1N COc1ccccc1[*:1] Nn1c(nnc1[*:1])SCc1cc(=O)n2ccsc2n1
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 CC(C)(C)[*:1] O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 CC(C)(C)NS(=O)(=O)[*:1] O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(cc1)[*:1]
O=C([C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)[*:1]
O=C([C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12)N1CCN(c2ccccc2)CC1 c1cc(c2nsnc2c1)[*:1] O=C([C@@H]1CCCN1S(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1
COc1ccccc1OCCN(C)C(=O)c1c(C)c2ccccc2oc1=O COc1ccccc1O[*:1] Cc1c(C(=O)N(C)CC[*:1])c(=O)oc2ccccc12
COc1ccccc1OCCN(C)C(=O)c1c(C)c2ccccc2oc1=O COc1ccccc1[*:1] Cc1c(C(=O)N(C)CCO[*:1])c(=O)oc2ccccc12
CCOC(=O)c1cccc(NC[C@H](O)c2ccco2)n1 c1coc(c1)[*:1] CCOC(=O)c1cccc(n1)NC[C@H](O)[*:1]
CCOC(=O)c1cccc(NC[C@H](O)c2ccco2)n1 CCOC(=O)[*:1] O[C@@H](CNc1cccc(n1)[*:1])c1ccco1
CC(C)C(=O)NCCNC(=O)/C=C/c1nc2ccccc2s1 CC(C)C(=O)N[*:1] O=C(/C=C/c1nc2ccccc2s1)NCC[*:1]
CC(C)C(=O)NCCNC(=O)/C=C/c1nc2ccccc2s1 CC(C)[*:1] O=C(/C=C/c1nc2ccccc2s1)NCCNC(=O)[*:1]
CC(C)C(=O)NCCNC(=O)/C=C/c1nc2ccccc2s1 CC(C)C(=O)NC[*:1] O=C(/C=C/c1nc2ccccc2s1)NC[*:1]
Cn1c(CO)cnc1SCc1nnc2n(C)c(=O)c3ccccc3n12 Cn1c(cnc1[*:1])CO Cn1c(=O)c2ccccc2n2c(CS[*:1])nnc12
O=C1NC(=O)[C@@H](Cc2ccc(NC(=O)C3(c4ccccc4F)CC3)cc2)N1 Fc1ccccc1[*:1] O=C1NC(=O)[C@@H](Cc2ccc(cc2)NC(=O)C2(CC2)[*:1])N1
Cc1ccccc1CS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 Cc1ccccc1[*:1] O=S(=O)(Cc1ccn(n1)-c1cccc(F)c1)C[*:1]
Cc1ccccc1CS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 Cc1ccccc1C[*:1] O=S(=O)(Cc1ccn(n1)-c1cccc(F)c1)[*:1]
Cc1ccccc1CS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] Cc1ccccc1CS(=O)(=O)Cc1ccn(n1)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cc1n[nH]c(=O)c2ccccc12 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)Cc1n[nH]c(=O)c2ccccc12
COc1ccccc1NC(=O)/C(C#N)=C\c1c(C)[nH]c2ccccc12 COc1ccccc1[*:1] Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)N[*:1]
COC(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2C)c1 COC(=O)[*:1] Cc1ccccc1NC(=O)COC(=O)c1cccc(c1)[*:1]
COC(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2C)c1 Cc1ccccc1[*:1] COC(=O)c1cccc(c1)C(=O)OCC(=O)N[*:1]
COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(C)c(c1)[*:1]
COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 COc1ccccc1[*:1] Cc1ccc(cc1S(N)(=O)=O)NC(=O)c1cccnc1N[*:1]
COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 COc1ccccc1N[*:1] Cc1ccc(cc1S(N)(=O)=O)NC(=O)c1cccnc1[*:1]
Cc1cc(C)n(C[C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)n1 Cc1cc(C)n(C[*:1])n1 O=C(Cn1nnc2ccccc21)N1CCC[C@H]1[*:1]
Cc1cc(C)n(C[C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)n1 Cc1cc(C)n(n1)[*:1] O=C(Cn1nnc2ccccc21)N1CCC[C@H]1C[*:1]
C=CCNC(=O)[C@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O C=CCNC(=O)[*:1] CC[C@H](N(c1ccc(Cl)cc1)S(C)(=O)=O)[*:1]
C=CCNC(=O)[C@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O Clc1ccc(cc1)[*:1] C=CCNC(=O)[C@H](CC)N(S(C)(=O)=O)[*:1]
C=CCNC(=O)[C@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O C=CC[*:1] CC[C@@H](C(=O)N[*:1])N(c1ccc(Cl)cc1)S(C)(=O)=O
COC(=O)Cn1/c(=N/C(=O)COc2ccccc2)sc2cc(S(C)(=O)=O)ccc21 c1ccc(cc1)O[*:1] COC(=O)Cn1/c(=N/C(=O)C[*:1])sc2cc(ccc21)S(C)(=O)=O
COC(=O)Cn1/c(=N/C(=O)COc2ccccc2)sc2cc(S(C)(=O)=O)ccc21 c1ccc(cc1)[*:1] COC(=O)Cn1/c(=N/C(=O)CO[*:1])sc2cc(ccc21)S(C)(=O)=O
COC(=O)Cn1/c(=N/C(=O)COc2ccccc2)sc2cc(S(C)(=O)=O)ccc21 COC(=O)C[*:1] CS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)COc1ccccc1)n2[*:1]
COC(=O)Cn1/c(=N/C(=O)COc2ccccc2)sc2cc(S(C)(=O)=O)ccc21 COC(=O)[*:1] CS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)COc1ccccc1)n2C[*:1]
COC(=O)Cn1/c(=N/C(=O)COc2ccccc2)sc2cc(S(C)(=O)=O)ccc21 c1ccc(cc1)OC[*:1] COC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
COC(=O)Cn1/c(=N/C(=O)COc2ccccc2)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] COC(=O)Cn1/c(=N/C(=O)COc2ccccc2)sc2cc(ccc21)[*:1]
COC(=O)C[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1cccc(Cl)c1 O[C@@H](c1ccccc1)[*:1] COC(=O)C[C@@H](NC(=O)[*:1])c1cccc(Cl)c1
COC(=O)C[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1cccc(Cl)c1 COC(=O)C[*:1] O=C(N[C@@H](c1cccc(Cl)c1)[*:1])[C@@H](O)c1ccccc1
COC(=O)C[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] COC(=O)C[C@@H](NC(=O)[C@@H](O)[*:1])c1cccc(Cl)c1
COC(=O)C[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1cccc(Cl)c1 COC(=O)[*:1] O=C(N[C@H](C[*:1])c1cccc(Cl)c1)[C@@H](O)c1ccccc1
COC(=O)C[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)C[C@@H](NC(=O)[C@@H](O)c1ccccc1)[*:1]
O=[N+]([O-])c1cccc([C@H]2CC(c3cccs3)=NN2S(=O)(=O)c2ccccc2)c1 O=[N+]([O-])[*:1] O=S(=O)(c1ccccc1)N1N=C(C[C@@H]1c1cccc(c1)[*:1])c1cccs1
O=[N+]([O-])c1cccc([C@H]2CC(c3cccs3)=NN2S(=O)(=O)c2ccccc2)c1 c1csc(c1)[*:1] O=[N+]([O-])c1cccc(c1)[C@H]1CC(=NN1S(=O)(=O)c1ccccc1)[*:1]
O=[N+]([O-])c1cccc([C@H]2CC(c3cccs3)=NN2S(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)[C@H]1CC(=NN1S(=O)(=O)[*:1])c1cccs1
O=[N+]([O-])c1cccc([C@H]2CC(c3cccs3)=NN2S(=O)(=O)c2ccccc2)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=S(=O)(c1ccccc1)N1N=C(C[C@@H]1[*:1])c1cccs1
COc1ccc2c(C)c(CC(=O)NCc3ccc(C)cc3)c(=O)oc2c1 Cc1ccc(cc1)C[*:1] COc1ccc2c(C)c(CC(=O)N[*:1])c(=O)oc2c1
COc1ccc2c(C)c(CC(=O)NCc3ccc(C)cc3)c(=O)oc2c1 Cc1ccc(cc1)[*:1] COc1ccc2c(C)c(CC(=O)NC[*:1])c(=O)oc2c1
O=C(Cn1cnc2ccc(Cl)cc2c1=O)N1c2ccccc2OC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cnc2ccc(Cl)cc2c1=O)N1c2ccccc2OC[C@H]1[*:1]
CC(C)(C)OC(=O)N1CCC(OC(=O)[C@@H]2CCCc3sccc32)CC1 CC(C)(C)[*:1] O=C(OC1CCN(CC1)C(=O)O[*:1])[C@@H]1CCCc2sccc21
CNS(=O)(=O)c1ccc(NCc2ccnn2C)c(F)c1 Cn1nccc1[*:1] CNS(=O)(=O)c1ccc(NC[*:1])c(F)c1
CNS(=O)(=O)c1ccc(NCc2ccnn2C)c(F)c1 CNS(=O)(=O)[*:1] Cn1nccc1CNc1ccc(cc1F)[*:1]
CC(=O)N1CCN(Cc2cc(N[C@H](C)[C@H]3CCCO3)cc[nH+]2)CC1 C1CO[C@H](C1)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N[C@H](C)[*:1]
Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]1CCC(=O)N1 Cc1cccc(C)c1[*:1] O=C1CC[C@H](N1)C(=O)NCc1cccnc1O[*:1]
CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ncn(C)n1 Cn1cnc(C[*:1])n1 CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[*:1]
CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[*:1]
CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ncn(C)n1 CCC[*:1] Cn1cnc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)[*:1])n1
CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@H](c1ccccc1F)N(C)C)C2 O=C([O-])[*:1] CCn1nc(c2CN(CCc21)C(=O)[C@H](c1ccccc1F)N(C)C)[*:1]
CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@H](c1ccccc1F)N(C)C)C2 Fc1ccccc1[*:1] CCn1nc(C(=O)[O-])c2CN(CCc21)C(=O)[C@H](N(C)C)[*:1]
CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@H](c1ccccc1F)N(C)C)C2 CN(C)[*:1] CCn1nc(C(=O)[O-])c2CN(CCc21)C(=O)[C@H](c1ccccc1F)[*:1]
C#CCN1C(=O)N=C(N)[C@@H]1c1ccc(OC)cc1OC C#CC[*:1] COc1ccc(c(c1)OC)[C@H]1C(N)=NC(=O)N1[*:1]
COc1cc[nH+]c(NCc2ncc(-c3ccccc3)s2)c1 c1ccc(cc1)[*:1] COc1cc[nH+]c(c1)NCc1ncc(s1)[*:1]
O=C(c1csc(Cc2ccccc2)n1)N1CC=C[C@@H]1CO c1ccc(cc1)[*:1] O=C(c1csc(C[*:1])n1)N1CC=C[C@@H]1CO
O=C(c1csc(Cc2ccccc2)n1)N1CC=C[C@@H]1CO c1ccc(cc1)C[*:1] O=C(c1csc(n1)[*:1])N1CC=C[C@@H]1CO
COC(=O)[C@H](C)N1CCN(C(=O)c2cccc(OC)c2)CC1 COC(=O)[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)[C@@H](C)[*:1]
COC(=O)[C@H](C)N1CCN(C(=O)c2cccc(OC)c2)CC1 COC(=O)[C@H](C)[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)[*:1]
C=CCN1C(=O)[C@@H](Cc2ccc(OC)cc2)S/C1=N/N=C\c1ccco1 COc1ccc(cc1)[*:1] C=CCN1C(=O)[C@@H](C[*:1])S/C1=N/N=C\c1ccco1
C=CCN1C(=O)[C@@H](Cc2ccc(OC)cc2)S/C1=N/N=C\c1ccco1 C=CC[*:1] COc1ccc(cc1)C[C@H]1S/C(=N/N=C\c2ccco2)N(C1=O)[*:1]
C=CCN1C(=O)[C@@H](Cc2ccc(OC)cc2)S/C1=N/N=C\c1ccco1 c1coc(c1)[*:1] C=CCN1C(=O)[C@@H](Cc2ccc(cc2)OC)S/C1=N/N=C[*:1]
Cc1oc(-c2cccs2)nc1CS(=O)(=O)c1nncn1C c1csc(c1)[*:1] Cc1oc(nc1CS(=O)(=O)c1nncn1C)[*:1]
Cc1oc(-c2cccs2)nc1CS(=O)(=O)c1nncn1C Cn1cnnc1[*:1] Cc1oc(nc1CS(=O)(=O)[*:1])-c1cccs1
COc1ccc(/C(N)=N/OCc2coc(-c3cccc(F)c3)n2)c(OC)c1 Fc1cccc(c1)[*:1] COc1ccc(/C(N)=N/OCc2coc(n2)[*:1])c(c1)OC
O=c1cc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)[nH+]c2sccn12 C1CO[C@@H](C1)C[*:1] O=c1cc(CN(Cc2cccc(F)c2)[*:1])[nH+]c2sccn12
O=c1cc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)[nH+]c2sccn12 Fc1cccc(c1)[*:1] O=c1cc(CN(C[C@@H]2CCCO2)C[*:1])[nH+]c2sccn12
O=c1cc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)[nH+]c2sccn12 C1CO[C@@H](C1)[*:1] O=c1cc(CN(Cc2cccc(F)c2)C[*:1])[nH+]c2sccn12
O=c1cc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)[nH+]c2sccn12 Fc1cccc(c1)C[*:1] O=c1cc(CN(C[C@@H]2CCCO2)[*:1])[nH+]c2sccn12
NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 NS(=O)(=O)C[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1C[C@@H]1c1ccc(F)cc1
NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 NS(=O)(=O)[*:1] O=C(Nc1cccc(c1)C[*:1])[C@H]1C[C@@H]1c1ccc(F)cc1
NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] NS(=O)(=O)Cc1cccc(c1)NC(=O)[C@H]1C[C@H]1[*:1]
C[S@@](=O)(=NC(=O)NS(=O)(=O)Oc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[S@@](=O)(=NC(=O)NS(=O)(=O)Oc1ccc(Cl)cc1Cl)[*:1]
C[S@@](=O)(=NC(=O)NS(=O)(=O)Oc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] C[S@@](=O)(=NC(=O)NS(=O)(=O)O[*:1])c1ccc(Cl)cc1
Cn1ccnc1COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 Cn1ccnc1[*:1] O=C(OC[*:1])c1ccc(cc1)S(=O)(=O)N1CCCc2ccccc21
Cn1ccnc1COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 Cn1ccnc1C[*:1] O=C(O[*:1])c1ccc(cc1)S(=O)(=O)N1CCCc2ccccc21
COc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)c1 COc1cccc(c1)[*:1] O=C(NCCc1csc2nc(nn12)-c1ccc(Cl)cc1)C(=O)N[*:1]
COc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)C(=O)NCCc1csc2nc(nn12)[*:1]
CC1(C)CSC[C@](C[NH3+])([NH2+]CC2CC2)C1 C1CC1C[NH2+][*:1] CC1(C)CSC[C@](C[NH3+])(C1)[*:1]
CC1(C)CSC[C@](C[NH3+])([NH2+]CC2CC2)C1 C1CC1C[*:1] CC1(C)CSC[C@@](C[NH3+])(C1)[NH2+][*:1]
CC1(C)CSC[C@](C[NH3+])([NH2+]CC2CC2)C1 C1CC1[*:1] CC1(C)CSC[C@@](C[NH3+])(C1)[NH2+]C[*:1]
CN1C(=O)C[C@@H](C(=O)NCc2ccccc2)[C@@H]1c1cccs1 c1ccc(cc1)C[*:1] CN1C(=O)C[C@@H](C(=O)N[*:1])[C@@H]1c1cccs1
CN1C(=O)C[C@@H](C(=O)NCc2ccccc2)[C@@H]1c1cccs1 c1ccc(cc1)[*:1] CN1C(=O)C[C@@H](C(=O)NC[*:1])[C@@H]1c1cccs1
CN1C(=O)C[C@@H](C(=O)NCc2ccccc2)[C@@H]1c1cccs1 c1csc(c1)[*:1] CN1C(=O)C[C@@H](C(=O)NCc2ccccc2)[C@H]1[*:1]
O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccnc1 c1cncc(c1)[*:1] O=C(N[C@@H](Cc1ccccc1)C1CC1)[*:1]
O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccnc1 C1CC1[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1cccnc1
O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccnc1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C1CC1)c1cccnc1
CCN[C@](C)(C(=O)OC)c1ccc(F)c(F)c1 CCN[*:1] COC(=O)[C@@](C)(c1ccc(F)c(F)c1)[*:1]
CCN[C@](C)(C(=O)OC)c1ccc(F)c(F)c1 COC(=O)[*:1] CCN[C@](C)(c1ccc(F)c(F)c1)[*:1]
O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1c(F)cccc1F O=C(C[*:1])N1CCCC1 O=C(Nc1cccc(c1)O[*:1])c1c(F)cccc1F
O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(COc1cccc(c1)NC(=O)[*:1])N1CCCC1
O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1c(F)cccc1F O=C(N1CCCC1)[*:1] O=C(Nc1cccc(c1)OC[*:1])c1c(F)cccc1F
O=C(Nc1cccc(COc2ccccc2Cl)c1)c1cc2nc([O-])[nH]c(=O)n2c1 Clc1ccccc1OC[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2nc([O-])[nH]c(=O)n2c1
O=C(Nc1cccc(COc2ccccc2Cl)c1)c1cc2nc([O-])[nH]c(=O)n2c1 Clc1ccccc1[*:1] O=C(Nc1cccc(c1)CO[*:1])c1cc2nc([O-])[nH]c(=O)n2c1
O=C(Nc1cccc(COc2ccccc2Cl)c1)c1cc2nc([O-])[nH]c(=O)n2c1 Clc1ccccc1O[*:1] O=C(Nc1cccc(c1)C[*:1])c1cc2nc([O-])[nH]c(=O)n2c1
CCOc1ccc2c(C(=O)Nc3ccnn3[C@@H](C)c3ccccc3)cc(=O)oc2c1 CCO[*:1] C[C@@H](c1ccccc1)n1nccc1NC(=O)c1cc(=O)oc2cc(ccc12)[*:1]
CCOc1ccc2c(C(=O)Nc3ccnn3[C@@H](C)c3ccccc3)cc(=O)oc2c1 c1ccc(cc1)[*:1] CCOc1ccc2c(cc(=O)oc2c1)C(=O)Nc1ccnn1[C@@H](C)[*:1]
CCOc1ccc2c(C(=O)Nc3ccnn3[C@@H](C)c3ccccc3)cc(=O)oc2c1 C[C@@H](c1ccccc1)[*:1] CCOc1ccc2c(cc(=O)oc2c1)C(=O)Nc1ccnn1[*:1]
CC[C@](C)(c1ccccc1)[C@@](C)(O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@](C)([C@@](C)(O)c1ccccc1)[*:1]
CC[C@](C)(c1ccccc1)[C@@](C)(O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@](C)(c1ccccc1)[C@@](C)(O)[*:1]
OCC[NH+](CCO)C[C@H]1C[C@H]2C=C[C@@H]1C2 OCC[*:1] OCC[NH+](C[C@H]1C[C@H]2C=C[C@@H]1C2)[*:1]
[NH3+][C@H](Cc1ccccc1)c1cc2ccccc2[nH]1 c1ccc(cc1)[*:1] [NH3+][C@H](C[*:1])c1cc2ccccc2[nH]1
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1cn2ccccc2n1 c1ccn2cc(nc2c1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)NC[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1cn2ccccc2n1 C1CN(CCO1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)NCc1cn2ccccc2n1)[*:1]
CC[C@H](C)[C@](C)(O)C[NH2+]Cc1sc(C)nc1C CC[C@H](C)[*:1] Cc1nc(C)c(C[NH2+]C[C@](C)(O)[*:1])s1
C[C@@H]1C[C@H]1NC(=O)NCc1ccc(F)cc1C(F)(F)F FC(F)(F)[*:1] C[C@@H]1C[C@H]1NC(=O)NCc1ccc(F)cc1[*:1]
COc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cc2ccccc2o1 O=C(N[*:1])c1cccc(Cl)c1 COc1cc(ccc1NC(=O)c1cc2ccccc2o1)[*:1]
COc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)c1cccc(Cl)c1
COc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cc2ccccc2o1 Clc1cccc(c1)[*:1] COc1cc(ccc1NC(=O)c1cc2ccccc2o1)NC(=O)[*:1]
COc1ccc([C@H](CNC(=O)[C@H](C)n2cncn2)N2CCOCC2)cc1 c1ncn(n1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)[C@H](C)[*:1])N1CCOCC1
COc1ccc([C@H](CNC(=O)[C@H](C)n2cncn2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)[C@H](C)n1cncn1)[*:1]
COc1ccc([C@H](CNC(=O)[C@H](C)n2cncn2)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[C@H](N1CCOCC1)[*:1])n1cncn1
C[C@H](C(=O)[O-])S(=O)(=O)Cc1ccc(O)cc1 O=C([O-])[*:1] C[C@H](S(=O)(=O)Cc1ccc(O)cc1)[*:1]
N#CCCN(C(=O)c1n[nH]c(C2CC2)n1)C1CC1 C1CC1[*:1] N#CCCN(C(=O)c1n[nH]c(n1)C1CC1)[*:1]
N#CCCN(C(=O)c1n[nH]c(C2CC2)n1)C1CC1 N#CCC[*:1] O=C(c1n[nH]c(n1)C1CC1)N(C1CC1)[*:1]
N#CCCN(C(=O)c1n[nH]c(C2CC2)n1)C1CC1 C1CC1[*:1] N#CCCN(C(=O)c1n[nH]c(n1)[*:1])C1CC1
N#CCCN(C(=O)c1n[nH]c(C2CC2)n1)C1CC1 N#CC[*:1] O=C(c1n[nH]c(n1)C1CC1)N(C[*:1])C1CC1
O=C(NCCCCn1cnnc1)[C@@H]1CCCN1C(=O)c1cccs1 c1nncn1[*:1] O=C(NCCCC[*:1])[C@@H]1CCCN1C(=O)c1cccs1
O=C(NCCCCn1cnnc1)[C@@H]1CCCN1C(=O)c1cccs1 c1nncn1C[*:1] O=C(NCCC[*:1])[C@@H]1CCCN1C(=O)c1cccs1
O=C(NCCCCn1cnnc1)[C@@H]1CCCN1C(=O)c1cccs1 c1nncn1CCC[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)c1cccs1
O=C(NCCCCn1cnnc1)[C@@H]1CCCN1C(=O)c1cccs1 c1csc(c1)[*:1] O=C(NCCCCn1cnnc1)[C@@H]1CCCN1C(=O)[*:1]
O=C(NCCCCn1cnnc1)[C@@H]1CCCN1C(=O)c1cccs1 c1nncn1CC[*:1] O=C(NCC[*:1])[C@@H]1CCCN1C(=O)c1cccs1
CCC[C@@H](NC(=O)[C@@H]1CCN(C(C)=O)C1)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)[C@@H]1CCN(C1)C(C)=O)[*:1]
CCC[C@@H](NC(=O)[C@@H]1CCN(C(C)=O)C1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)[C@@H]1CCN(C1)C(C)=O)[*:1]
Cc1ccccc1OCCCSCc1nncn1C Cn1cnnc1[*:1] Cc1ccccc1OCCCSC[*:1]
Cc1ncccc1N1C(=O)[C@H](C2CC2)NC(=O)[C@H]1C C1CC1[*:1] Cc1ncccc1N1C(=O)[C@H](NC(=O)[C@H]1C)[*:1]
COc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)c(F)c1 O=[N+]([O-])[*:1] COc1ccc(-c2ccc(O)c(c2)[*:1])c(F)c1
CSC[C@H](C)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1 CSC[*:1] C[C@H](N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1)[*:1]
Cc1cccc(C)c1OCC(=O)[C@H](C#N)c1nnc(-c2ccccc2)n1C Cc1cccc(C)c1O[*:1] Cn1c(nnc1[C@@H](C#N)C(=O)C[*:1])-c1ccccc1
Cc1cccc(C)c1OCC(=O)[C@H](C#N)c1nnc(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1cccc(C)c1OCC(=O)[C@H](C#N)c1nnc(n1C)[*:1]
Cc1cccc(C)c1OCC(=O)[C@H](C#N)c1nnc(-c2ccccc2)n1C Cc1cccc(C)c1[*:1] Cn1c(nnc1[C@@H](C#N)C(=O)CO[*:1])-c1ccccc1
Cc1cccc(-c2ccccc2C(=O)N2CC[C@H](O)C[C@@H]2C(=O)[O-])c1 Cc1cccc(c1)[*:1] O=C([O-])[C@H]1C[C@@H](O)CCN1C(=O)c1ccccc1[*:1]
Cc1cccc(-c2ccccc2C(=O)N2CC[C@H](O)C[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] Cc1cccc(c1)-c1ccccc1C(=O)N1CC[C@H](O)C[C@H]1[*:1]
Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)c1cnn(c1-n1cccc1)[*:1]
Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])c1cnn(-c2ccc(F)cc2)c1-n1cccc1
Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)cc1C c1ccn(c1)[*:1] Cc1ccc(cc1C)NC(=O)c1cnn(-c2ccc(F)cc2)c1[*:1]
O=C([O-])c1ccc(Cn2ccnc2C[NH2+]C2CC2)cc1 C1CC1[*:1] O=C([O-])c1ccc(cc1)Cn1ccnc1C[NH2+][*:1]
O=C([O-])c1ccc(Cn2ccnc2C[NH2+]C2CC2)cc1 O=C([O-])[*:1] c1cn(Cc2ccc(cc2)[*:1])c(C[NH2+]C2CC2)n1
CCC[C@]1(C(=O)NC[C@@H]2CC[C@H](C(=O)[O-])O2)CCC[NH2+]C1 O=C([O-])[*:1] CCC[C@@]1(CCC[NH2+]C1)C(=O)NC[C@@H]1CC[C@H](O1)[*:1]
CCC[C@]1(C(=O)NC[C@@H]2CC[C@H](C(=O)[O-])O2)CCC[NH2+]C1 CCC[*:1] O=C([O-])[C@H]1CC[C@@H](CNC(=O)[C@@]2(CCC[NH2+]C2)[*:1])O1
Cc1ccc(CC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1O Cc1ccc(cc1O)[*:1] O=C(C[*:1])Nc1nc(cs1)C[NH+]1CCCCCC1
C#CCN1CC(=O)N(c2ccc(Cl)cc2)C1=O C#CC[*:1] O=C1CN(C(=O)N1c1ccc(Cl)cc1)[*:1]
CC[C@H](C)n1ncc(C(=O)N(C)Cc2cc(Cl)cn2C)c1C1CC1 CC[C@H](C)[*:1] CN(Cc1cc(Cl)cn1C)C(=O)c1cnn(c1C1CC1)[*:1]
CC[C@H](C)n1ncc(C(=O)N(C)Cc2cc(Cl)cn2C)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)N(C)Cc2cc(Cl)cn2C)c1[*:1]
CC[C@H](C)n1ncc(C(=O)N(C)Cc2cc(Cl)cn2C)c1C1CC1 Cn1cc(Cl)cc1C[*:1] CC[C@H](C)n1ncc(C(=O)N(C)[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)N(C)Cc2cc(Cl)cn2C)c1C1CC1 Cn1cc(Cl)cc1[*:1] CC[C@H](C)n1ncc(C(=O)N(C)C[*:1])c1C1CC1
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1C CC(C)[*:1] CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cnc3c(cnn3[*:1])c2)c1C
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1C CCOC(=O)[*:1] Cc1[nH]c(c(C)c1C(=O)Nc1cnc2c(cnn2C(C)C)c1)[*:1]
Cc1ccc(OCCNc2ccc([N+](=O)[O-])nc2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)OCCNc1ccc(nc1)[*:1]
COc1ccc(-c2cc(=O)n(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1cc(=O)n(cn1)CC(=O)Nc1cc(cc(c1)[*:1])C(F)(F)F
COc1ccc(-c2cc(=O)n(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1cnc(cc1=O)[*:1])Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] O=C([O-])[*:1] COc1ccc(cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1C(=O)N[C@@H](C[*:1])C(=O)[O-])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)N(C)CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N(C)CC[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)N(C)CCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N(C)C[*:1]
Cc1ccc(N[C@H](C#N)CC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)N[C@H](C#N)C[*:1]
Cc1ccc(CNC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](N[C@H](C)c1ccc2OCOc2c1)C(=O)N[*:1]
Cc1ccc(CNC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] C[C@@H](N[C@H](C)c1ccc2OCOc2c1)C(=O)NC[*:1]
CCNc1cc(CN2CCSC[C@@H]2C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1cc(ccc1[*:1])CN1CCSC[C@@H]1C
CCNc1cc(CN2CCSC[C@@H]2C)ccc1[N+](=O)[O-] CCN[*:1] C[C@H]1CSCCN1Cc1ccc(c(c1)[*:1])[N+](=O)[O-]
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccoc2C)cc1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)c1cccc(c1)[*:1])c1ccc(cc1)NC(=O)c1ccoc1C
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccoc2C)cc1 Cc1occc1[*:1] C/C(=N\NC(=O)c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccoc2C)cc1 Cc1occc1C(=O)N[*:1] C/C(=N\NC(=O)c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccoc2C)cc1 O=[N+]([O-])c1cccc(c1)[*:1] C/C(=N\NC(=O)[*:1])c1ccc(cc1)NC(=O)c1ccoc1C
NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ncc(-c2ccccc2)s1 NC(=O)[*:1] O=C(Nc1ncc(s1)-c1ccccc1)N[C@H]1CCCC[C@H]1[*:1]
NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ncc(-c2ccccc2)s1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ncc(s1)[*:1]
Cc1noc(-c2cnc(NCCN3CCOCC3)nc2-c2ccco2)c1C C1CN(CCO1)C[*:1] Cc1noc(-c2cnc(nc2-c2ccco2)NC[*:1])c1C
Cc1noc(-c2cnc(NCCN3CCOCC3)nc2-c2ccco2)c1C C1CN(CCO1)[*:1] Cc1noc(-c2cnc(nc2-c2ccco2)NCC[*:1])c1C
Cc1noc(-c2cnc(NCCN3CCOCC3)nc2-c2ccco2)c1C c1coc(c1)[*:1] Cc1noc(-c2cnc(nc2[*:1])NCCN2CCOCC2)c1C
Cc1noc(-c2cnc(NCCN3CCOCC3)nc2-c2ccco2)c1C C1CN(CCO1)CC[*:1] Cc1noc(-c2cnc(nc2-c2ccco2)N[*:1])c1C
Cc1noc(-c2cnc(NCCN3CCOCC3)nc2-c2ccco2)c1C Cc1noc(c1C)[*:1] c1coc(c1)-c1nc(ncc1[*:1])NCCN1CCOCC1
Cc1noc(-c2cnc(NCCN3CCOCC3)nc2-c2ccco2)c1C C(CN1CCOCC1)N[*:1] Cc1noc(-c2cnc(nc2-c2ccco2)[*:1])c1C
CC[C@H](NC(=O)c1ccc(C)c(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 CC(=O)N[*:1] CC[C@H](NC(=O)c1ccc(C)c(c1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)c1ccc(C)c(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)c1ccc(C)c(c1)NC(C)=O)c1cccc(c1)[*:1]
O=C(NCC#CCOc1cccnc1)c1ccc2cc[nH]c2c1 c1cncc(c1)O[*:1] O=C(NCC#CC[*:1])c1ccc2cc[nH]c2c1
O=C(NCC#CCOc1cccnc1)c1ccc2cc[nH]c2c1 c1cncc(c1)[*:1] O=C(NCC#CCO[*:1])c1ccc2cc[nH]c2c1
C=C(C(=O)N(CC)Cc1ccncc1)c1ccccc1 c1ccc(cc1)[*:1] C=C(C(=O)N(CC)Cc1ccncc1)[*:1]
C=C(C(=O)N(CC)Cc1ccncc1)c1ccccc1 c1cc(ccn1)[*:1] C=C(C(=O)N(CC)C[*:1])c1ccccc1
Cn1cccc1[C@@H](O)CNC(=O)NCc1ccc(F)cc1 Cn1cccc1[*:1] O=C(NCc1ccc(F)cc1)NC[C@H](O)[*:1]
Cn1cccc1[C@@H](O)CNC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1cccc1[C@@H](O)CNC(=O)NC[*:1]
CCCCN(C)C(=O)COc1cc(C)nc(-c2ccc(Cl)cc2)n1 CCCC[*:1] Cc1cc(nc(n1)-c1ccc(Cl)cc1)OCC(=O)N(C)[*:1]
CCCCN(C)C(=O)COc1cc(C)nc(-c2ccc(Cl)cc2)n1 CCC[*:1] Cc1cc(nc(n1)-c1ccc(Cl)cc1)OCC(=O)N(C)C[*:1]
CCCCN(C)C(=O)COc1cc(C)nc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCCCN(C)C(=O)COc1cc(C)nc(n1)[*:1]
CCCCN(C)C(=O)COc1cc(C)nc(-c2ccc(Cl)cc2)n1 CCCCN(C)C(=O)[*:1] Cc1cc(nc(n1)-c1ccc(Cl)cc1)OC[*:1]
Cc1ccc(C(=O)N2Cc3nc4c(-c5ccccc5)c(C)nn4c(O)c3C2)c(=O)[nH]1 Cc1ccc(c(=O)[nH]1)[*:1] Cc1nn2c(O)c3CN(Cc3nc2c1-c1ccccc1)C(=O)[*:1]
Cc1ccc(C(=O)N2Cc3nc4c(-c5ccccc5)c(C)nn4c(O)c3C2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)N2Cc3nc4c(c(C)nn4c(O)c3C2)[*:1])c(=O)[nH]1
COC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]3CCCc4cccc2c43)cn1 COC(=O)[*:1] O=C(N[C@@H]1C[C@H]2CCCc3cccc1c32)c1ccc(nc1)[*:1]
CCSc1nccn1-c1cccc(F)c1 CCS[*:1] Fc1cccc(c1)-n1ccnc1[*:1]
CCC[NH+](CCC)CC(=O)Nc1ccc(C)c(C)c1 CCC[*:1] CCC[NH+](CC(=O)Nc1ccc(C)c(C)c1)[*:1]
COc1ccc(CC(=O)NCC2CCN(c3nsc4ccccc34)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C[*:1])NCC1CCN(CC1)c1nsc2ccccc12
COc1ccc(CC(=O)NCC2CCN(c3nsc4ccccc34)CC2)cc1OC c1ccc2c(nsc2c1)[*:1] COc1ccc(cc1OC)CC(=O)NCC1CCN(CC1)[*:1]
N#CC1=C(N)N2C(=O)[C@@H](CC(=O)[O-])SC2=C(C#N)[C@H]1c1ccc(Cl)cc1 O=C([O-])[*:1] N#CC1=C(N)N2C(=O)[C@@H](C[*:1])SC2=C(C#N)[C@H]1c1ccc(Cl)cc1
N#CC1=C(N)N2C(=O)[C@@H](CC(=O)[O-])SC2=C(C#N)[C@H]1c1ccc(Cl)cc1 O=C([O-])C[*:1] N#CC1=C(N)N2C(=O)[C@@H](SC2=C(C#N)[C@H]1c1ccc(Cl)cc1)[*:1]
N#CC1=C(N)N2C(=O)[C@@H](CC(=O)[O-])SC2=C(C#N)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#CC1=C(N)N2C(=O)[C@@H](CC(=O)[O-])SC2=C(C#N)[C@@H]1[*:1]
C[C@H]1CN(C(=O)C[C@@H](C)NC(=O)C2CCCCC2)C[C@@H](C)S1 C1CCC(CC1)[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)C[C@@H](C)NC(=O)[*:1]
CCN(c1cc[nH+]c(C(=O)[O-])c1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(c1cc[nH+]c(c1)C(=O)[O-])S(=O)(=O)[*:1]
O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ccccc1SCC(F)(F)F FC(F)(F)C[*:1] O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ccccc1S[*:1]
O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ccccc1SCC(F)(F)F FC(F)(F)CS[*:1] O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ccccc1[*:1]
O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ccccc1SCC(F)(F)F FC(F)(F)[*:1] O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ccccc1SC[*:1]
COCCn1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cn1 COCC[*:1] O=S(=O)(Nc1cnn(c1)[*:1])c1cc(Cl)ccc1Cl
COCCn1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cn1 COC[*:1] O=S(=O)(Nc1cnn(c1)C[*:1])c1cc(Cl)ccc1Cl
CCc1ccc(NC(=O)c2nnc(CSc3nnnn3C3CC3)s2)cc1 C1CC1n1nnnc1[*:1] CCc1ccc(cc1)NC(=O)c1nnc(CS[*:1])s1
CCc1ccc(NC(=O)c2nnc(CSc3nnnn3C3CC3)s2)cc1 C1CC1[*:1] CCc1ccc(cc1)NC(=O)c1nnc(CSc2nnnn2[*:1])s1
CCc1ccc(NC(=O)c2nnc(CSc3nnnn3C3CC3)s2)cc1 CCc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(CSc2nnnn2C2CC2)s1
COc1cccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)Nc1nc(nc2c1cnn2C)N1CCN(CC1)[*:1]
COc1cccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)c1 COc1cccc(c1)N[*:1] Cn1ncc2c(nc(nc21)N1CCN(CC1)Cc1ccccc1)[*:1]
COc1cccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)c1 COc1cccc(c1)[*:1] Cn1ncc2c(nc(nc21)N1CCN(CC1)Cc1ccccc1)N[*:1]
COc1cccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)c1 c1ccc(cc1)[*:1] COc1cccc(c1)Nc1nc(nc2c1cnn2C)N1CCN(CC1)C[*:1]
O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 Brc1ccc(cc1)[*:1] O=C(N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1)[*:1]
O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 Clc1ccc(c(Cl)c1)[*:1] O=C(c1ccc(Br)cc1)N(C[C@H]1CCCO1)C[*:1]
O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1Cl)[*:1]
COc1cc2nc3c4ccccc4n(CCN4C(=O)CCC4=O)c3nc2cc1OC O=C1CCC(=O)N1CC[*:1] COc1cc2nc3c4ccccc4n(c3nc2cc1OC)[*:1]
COc1cc2nc3c4ccccc4n(CCN4C(=O)CCC4=O)c3nc2cc1OC O=C1CCC(=O)N1C[*:1] COc1cc2nc3c4ccccc4n(C[*:1])c3nc2cc1OC
COc1cc2nc3c4ccccc4n(CCN4C(=O)CCC4=O)c3nc2cc1OC O=C1CCC(=O)N1[*:1] COc1cc2nc3c4ccccc4n(CC[*:1])c3nc2cc1OC
O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)NC1CCCCCCC1 c1ccc(nc1)[*:1] O=C(COC(=O)c1cc(nc2ccccc12)[*:1])NC1CCCCCCC1
O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] O=C(COC(=O)c1cc(nc2ccccc12)-c1ccccn1)N[*:1]
C[C@H](O)C[C@H]1CCCN1C(=O)C[C@@H](C)CC(C)(C)C CC(C)(C)C[*:1] C[C@H](O)C[C@H]1CCCN1C(=O)C[C@@H](C)[*:1]
C[C@H](O)C[C@H]1CCCN1C(=O)C[C@@H](C)CC(C)(C)C CC(C)(C)[*:1] C[C@H](O)C[C@H]1CCCN1C(=O)C[C@@H](C)C[*:1]
C[C@H](O)C[C@H]1CCCN1C(=O)C[C@@H](C)CC(C)(C)C C[C@H](O)[*:1] C[C@H](CC(=O)N1CCC[C@@H]1C[*:1])CC(C)(C)C
C[C@H](O)C[C@H]1CCCN1C(=O)C[C@@H](C)CC(C)(C)C C[C@H](O)C[*:1] C[C@H](CC(=O)N1CCC[C@@H]1[*:1])CC(C)(C)C
Cc1nc2ccc(NC(=O)NCCS(=O)(=O)c3ccccc3)cc2o1 c1ccc(cc1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)NCCS(=O)(=O)[*:1]
C[C@H](C1=NC(=O)C2=C(c3cccs3)CSC2=N1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](C1N=C2SCC(=C2C(=O)N=1)c1cccs1)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@H](C1=NC(=O)C2=C(c3cccs3)CSC2=N1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1csc(c1)[*:1] C[C@H](C1N=C2SCC(=C2C(=O)N=1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
Cc1ccc(CN2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 Cc1ccc(cc1)C[*:1] Cn1c(nc2ccccc21)C1C(=O)CN(C=1N)[*:1]
Cc1ccc(CN2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 Cc1ccc(cc1)[*:1] Cn1c(nc2ccccc21)C1C(=O)CN(C[*:1])C=1N
CCc1ccccc1[C@@H]1C[NH+]=C(N)N1c1ccccc1C Cc1ccccc1[*:1] CCc1ccccc1[C@@H]1C[NH+]=C(N)N1[*:1]
c1ccc2c(N3CCOCC3)nnc(N3CCOCC3)c2c1 C1CN(CCO1)[*:1] c1ccc2c(nnc(c2c1)N1CCOCC1)[*:1]
Cc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)CN(S(=O)(=O)c1ccc2nnc(C)n2c1)[*:1]
Cc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 Cc1cccc(c1)C[*:1] Cc1nnc2ccc(cn12)S(=O)(=O)N(c1ccc(F)cc1)[*:1]
Cc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 Cc1cccc(c1)[*:1] Cc1nnc2ccc(cn12)S(=O)(=O)N(C[*:1])c1ccc(F)cc1
Cc1nc2c3ccccc3nc(SCC(=O)N(C)[C@@H](C)CC(C)C)n2n1 CC(C)[*:1] Cc1nc2c3ccccc3nc(SCC(=O)N(C)[C@@H](C)C[*:1])n2n1
Cc1nc2c3ccccc3nc(SCC(=O)N(C)[C@@H](C)CC(C)C)n2n1 CC(C)C[*:1] Cc1nc2c3ccccc3nc(SCC(=O)N(C)[C@@H](C)[*:1])n2n1
CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(OC)cc2)s1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)OC)s1)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(OC)cc2)s1 COc1ccc(cc1)[*:1] CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)[*:1])s1
CC(C)CNC(=O)CCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1 CC(C)CNC(=O)[*:1] O=C(NCC[*:1])N1CCC2=c3ccccc3=[NH+][C@@H]2C1
CC(C)CNC(=O)CCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1 CC(C)C[*:1] O=C(CCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)N[*:1]
CC(C)CNC(=O)CCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1 CC(C)[*:1] O=C(CCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)NC[*:1]
CC(C)CNC(=O)CCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1 CC(C)CNC(=O)C[*:1] O=C(NC[*:1])N1CCC2=c3ccccc3=[NH+][C@@H]2C1
O=C(NCC(=O)N1CCN(Cc2ccccn2)CC1)NC1CCCCC1 c1ccc(C[*:1])nc1 O=C(NCC(=O)N1CCN(CC1)[*:1])NC1CCCCC1
O=C(NCC(=O)N1CCN(Cc2ccccn2)CC1)NC1CCCCC1 c1ccc(nc1)[*:1] O=C(NCC(=O)N1CCN(CC1)C[*:1])NC1CCCCC1
O=C(NCC(=O)N1CCN(Cc2ccccn2)CC1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NCC(=O)N1CCN(CC1)Cc1ccccn1)N[*:1]
O=C(NN1Cc2ccccc2C1)c1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NN1Cc2ccccc2C1)c1cnn(n1)[*:1]
Cc1ccc2oc(C(=O)NC[C@H](O)c3ccc(C(C)C)cc3)c(C)c2c1 CC(C)[*:1] Cc1ccc2oc(C(=O)NC[C@H](O)c3ccc(cc3)[*:1])c(C)c2c1
CC(C)Cc1ccc(/C=N/[C@H](C#N)C(=N)C#N)cc1 CC(C)C[*:1] N#CC(=N)[C@@H](C#N)/N=C/c1ccc(cc1)[*:1]
CC(C)Cc1ccc(/C=N/[C@H](C#N)C(=N)C#N)cc1 CC(C)[*:1] N#CC(=N)[C@@H](C#N)/N=C/c1ccc(cc1)C[*:1]
CC(C)Cc1ccc(/C=N/[C@H](C#N)C(=N)C#N)cc1 N#CC(=N)[*:1] CC(C)Cc1ccc(/C=N/[C@H](C#N)[*:1])cc1
CC[NH+](CC)[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2C)C1 Cc1ccccc1[*:1] CC[NH+](CC)[C@@H]1CCN(CC(=O)N(C)C[*:1])C1
O=C(COC(=O)c1coc(-c2ccccc2)n1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COC(=O)c1coc(n1)-c1ccccc1)N[*:1]
O=C(COC(=O)c1coc(-c2ccccc2)n1)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(COC(=O)c1coc(n1)[*:1])NC1CCCCC1
CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccnc2Cl)c1 CC(=O)N[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1cccnc1Cl
CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccnc2Cl)c1 Clc1ncccc1[*:1] CC(=O)Nc1cccc(c1)[N-]S(=O)(=O)[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[C@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)C(=O)C[C@H]1CCS(=O)(=O)C1
COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(C(=O)c5ccco5)CC4)nc3C2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C1C[C@@H](Cc2nc(ncc21)N1CCN(CC1)C(=O)c1ccco1)[*:1]
COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(C(=O)c5ccco5)CC4)nc3C2)c(OC)c1 c1coc(c1)[*:1] COc1ccc(c(c1)OC)[C@H]1CC(=O)c2cnc(nc2C1)N1CCN(CC1)C(=O)[*:1]
COCc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 COC[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)C(=O)Nc1cccc(c1)[*:1]
OC1CCN(c2ccnc(N3CCN(C/C=C/c4ccccc4)CC3)n2)CC1 C(=C[*:1])c1ccccc1 OC1CCN(CC1)c1ccnc(n1)N1CCN(CC1)C[*:1]
OC1CCN(c2ccnc(N3CCN(C/C=C/c4ccccc4)CC3)n2)CC1 OC1CCN(CC1)[*:1] C(=C/c1ccccc1)\CN1CCN(CC1)c1nccc(n1)[*:1]
OC1CCN(c2ccnc(N3CCN(C/C=C/c4ccccc4)CC3)n2)CC1 C(=C/c1ccccc1)\C[*:1] OC1CCN(CC1)c1ccnc(n1)N1CCN(CC1)[*:1]
OC1CCN(c2ccnc(N3CCN(C/C=C/c4ccccc4)CC3)n2)CC1 c1ccc(cc1)[*:1] OC1CCN(CC1)c1ccnc(n1)N1CCN(CC=C[*:1])CC1
CCc1ccc(S(=O)(=O)N(CCO)c2ccccc2)s1 c1ccc(cc1)[*:1] CCc1ccc(s1)S(=O)(=O)N(CCO)[*:1]
CCc1ccc(S(=O)(=O)N(CCO)c2ccccc2)s1 OCC[*:1] CCc1ccc(s1)S(=O)(=O)N(c1ccccc1)[*:1]
N#C/C(C(=O)NC1CCCC1)=C(/[O-])C1=Cc2cc(Cl)ccc2OC1 O=C(NC1CCCC1)[*:1] N#CC(=C([O-])C1=Cc2cc(Cl)ccc2OC1)[*:1]
N#C/C(C(=O)NC1CCCC1)=C(/[O-])C1=Cc2cc(Cl)ccc2OC1 C1CCC(C1)[*:1] N#C/C(C(=O)N[*:1])=C(/[O-])C1=Cc2cc(Cl)ccc2OC1
CCOc1cc(OCC)cc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 c1ccc(cc1)[*:1] CCOc1cc(cc(c1)C(=O)Nc1ccc2nn(nc2c1)[*:1])OCC
CCOc1cc(OCC)cc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 CCO[*:1] CCOc1cc(cc(c1)[*:1])C(=O)Nc1ccc2nn(nc2c1)-c1ccccc1
O=[N+]([O-])c1cc(F)ccc1Oc1ncccn1 O=[N+]([O-])[*:1] Fc1ccc(Oc2ncccn2)c(c1)[*:1]
C=CCn1c(CC)nnc1Sc1nc2c([nH]1)c(=O)n(C)c(=O)n2C C=CC[*:1] CCc1nnc(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)n1[*:1]
Cc1cccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 Cc1cccc(c1)[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)[*:1]
c1csc(Cc2nnc(SCc3ccc4c(c3)OCO4)n2C2CC2)c1 c1csc(c1)C[*:1] c1cc2OCOc2cc1CSc1nnc(n1C1CC1)[*:1]
c1csc(Cc2nnc(SCc3ccc4c(c3)OCO4)n2C2CC2)c1 c1csc(c1)[*:1] c1cc2OCOc2cc1CSc1nnc(C[*:1])n1C1CC1
c1csc(Cc2nnc(SCc3ccc4c(c3)OCO4)n2C2CC2)c1 C1CC1[*:1] c1csc(c1)Cc1nnc(SCc2ccc3OCOc3c2)n1[*:1]
CC(C)OCC[NH+]1CCC(NC(=O)C(C)(C)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)OCC[NH+]1CCC(CC1)NC(=O)C(C)(C)[*:1]
CC(C)OCC[NH+]1CCC(NC(=O)C(C)(C)c2cccc(F)c2)CC1 CC(C)[*:1] CC(C)(C(=O)NC1CC[NH+](CCO[*:1])CC1)c1cccc(F)c1
CC(C)OCC[NH+]1CCC(NC(=O)C(C)(C)c2cccc(F)c2)CC1 CC(C)OC[*:1] CC(C)(C(=O)NC1CC[NH+](CC1)C[*:1])c1cccc(F)c1
CC(C)OCC[NH+]1CCC(NC(=O)C(C)(C)c2cccc(F)c2)CC1 CC(C)O[*:1] CC(C)(C(=O)NC1CC[NH+](CC1)CC[*:1])c1cccc(F)c1
CC(C)OCC[NH+]1CCC(NC(=O)C(C)(C)c2cccc(F)c2)CC1 CC(C)OCC[*:1] CC(C)(C(=O)NC1CC[NH+](CC1)[*:1])c1cccc(F)c1
Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1nc(n[nH]1)-c1cccc(c1)[*:1]
Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)-c1n[nH]c(n1)[*:1]
CCc1cccc(NC(=O)CCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c1 CCc1cccc(c1)[*:1] CCN(C(=O)CCC(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
COc1cc(CNC(=O)c2ccccc2-c2cncnc2)ccn1 c1ncc(cn1)[*:1] COc1cc(ccn1)CNC(=O)c1ccccc1[*:1]
COc1cc(CNC(=O)c2ccccc2-c2cncnc2)ccn1 COc1cc(ccn1)[*:1] O=C(NC[*:1])c1ccccc1-c1cncnc1
C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@H](C)Oc1ccccc1[*:1]
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2ccsc2c1=O C=CC[*:1] C[C@H](Sc1nc2ccsc2c(=O)n1[*:1])c1nnc(o1)-c1ccccc1
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2ccsc2c1=O c1ccc(cc1)[*:1] C=CCn1c(nc2ccsc2c1=O)S[C@@H](C)c1nnc(o1)[*:1]
CO[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1 CC(C)C[*:1] CO[C@H](C)C(=O)N[C@@H](C(=O)Nc1nccs1)[*:1]
CO[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1 CO[C@H](C)[*:1] CC(C)C[C@H](NC(=O)[*:1])C(=O)Nc1nccs1
CO[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1 CC(C)[*:1] CO[C@H](C)C(=O)N[C@@H](C[*:1])C(=O)Nc1nccs1
CO[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1 c1csc(n1)[*:1] CO[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[*:1]
Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 Cc1ccc2nc(sc2c1)[*:1] C[NH+](C)CCCN(C(=O)CN1C(=O)c2ccccc2C1=O)[*:1]
O=[N+]([O-])c1ccc(OCc2ncc(-c3ccccc3)o2)c(F)c1 O=[N+]([O-])[*:1] Fc1cc(ccc1OCc1ncc(o1)-c1ccccc1)[*:1]
O=[N+]([O-])c1ccc(OCc2ncc(-c3ccccc3)o2)c(F)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(OCc2ncc(o2)[*:1])c(F)c1
CN1C(=O)[C@](CC(=O)N2CCC(O)CC2)(Cc2ccccc2)c2ccccc21 c1ccc(cc1)C[*:1] CN1C(=O)[C@](CC(=O)N2CCC(O)CC2)(c2ccccc21)[*:1]
CN1C(=O)[C@](CC(=O)N2CCC(O)CC2)(Cc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CN1C(=O)[C@](CC(=O)N2CCC(O)CC2)(C[*:1])c2ccccc21
CN1C(=O)[C@](CC(=O)N2CCC(O)CC2)(Cc2ccccc2)c2ccccc21 O=C(N1CCC(O)CC1)[*:1] CN1C(=O)[C@@](Cc2ccccc2)(C[*:1])c2ccccc21
Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]2C)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@@H]1CCC[C@@H]1C
[O-]c1cc(C(F)(F)F)nc(-c2ccccc2OC(F)(F)F)n1 FC(F)(F)O[*:1] [O-]c1cc(nc(n1)-c1ccccc1[*:1])C(F)(F)F
[O-]c1cc(C(F)(F)F)nc(-c2ccccc2OC(F)(F)F)n1 FC(F)(F)[*:1] [O-]c1cc(nc(n1)-c1ccccc1O[*:1])C(F)(F)F
[O-]c1cc(C(F)(F)F)nc(-c2ccccc2OC(F)(F)F)n1 FC(F)(F)[*:1] [O-]c1cc(nc(n1)-c1ccccc1OC(F)(F)F)[*:1]
CCC(=CC(=O)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1)CC CCC(=C[*:1])CC O=C(N1C[C@H](O)C[C@H]1c1ccc(cc1)C(F)(F)F)[*:1]
CCC(=CC(=O)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1)CC FC(F)(F)[*:1] CCC(=CC(=O)N1C[C@H](O)C[C@H]1c1ccc(cc1)[*:1])CC
O=C(NCc1ccco1)N[C@@H]1CCN(c2c(F)cccc2F)C1 c1coc(c1)[*:1] O=C(NC[*:1])N[C@@H]1CCN(C1)c1c(F)cccc1F
O=C(NCc1ccco1)N[C@@H]1CCN(c2c(F)cccc2F)C1 c1coc(c1)C[*:1] O=C(N[C@@H]1CCN(C1)c1c(F)cccc1F)N[*:1]
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC(=O)c1ccccc1 Fc1ccccc1[*:1] COc1ccc(/C=C(\C#N)C(=O)N[*:1])cc1OC(=O)c1ccccc1
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC(=O)[*:1]
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC(=O)c1ccccc1 O=C(O[*:1])c1ccccc1 COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1[*:1]
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC(=O)c1ccccc1 O=C(Nc1ccccc1F)[*:1] COc1ccc(C=C(C#N)[*:1])cc1OC(=O)c1ccccc1
CC(C)Oc1cccc([C@H](C)C[C@@H](C)O)c1 CC(C)O[*:1] C[C@@H](O)C[C@@H](C)c1cccc(c1)[*:1]
CC(C)Oc1cccc([C@H](C)C[C@@H](C)O)c1 CC(C)[*:1] C[C@@H](O)C[C@@H](C)c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@H](C)C[C@@H](C)O)c1 C[C@@H](O)C[*:1] CC(C)Oc1cccc(c1)[C@H](C)[*:1]
CC(C)Oc1cccc([C@H](C)C[C@@H](C)O)c1 C[C@@H](O)[*:1] CC(C)Oc1cccc(c1)[C@H](C)C[*:1]
CC(=O)Nc1cccc(NC(=O)C[S@](=O)Cc2ccc(Cl)cc2Cl)c1 CC(=O)N[*:1] O=C(C[S@](=O)Cc1ccc(Cl)cc1Cl)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)C[S@](=O)Cc2ccc(Cl)cc2Cl)c1 Clc1ccc(c(Cl)c1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)C[S@](=O)C[*:1]
CC(C)C1(O)CN(C(=O)N[C@H]2CCOC2)C1 CC(C)[*:1] O=C(N[C@H]1CCOC1)N1CC(O)(C1)[*:1]
CC(C)C1(O)CN(C(=O)N[C@H]2CCOC2)C1 C1C[C@@H](CO1)[*:1] CC(C)C1(O)CN(C1)C(=O)N[*:1]
CC[C@@H]1CC[C@@H]([C@H](O)[C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 CS(=O)(=O)[*:1] CC[C@@H]1CC[C@H](C1)[C@H](O)[C@@H]1CCC[C@H](C1)[*:1]
CCOC(=O)c1cn(CN2CCC(CC(=O)N3CCCC3)CC2)nc1C CCOC(=O)[*:1] Cc1nn(cc1[*:1])CN1CCC(CC1)CC(=O)N1CCCC1
CCOC(=O)c1cn(CN2CCC(CC(=O)N3CCCC3)CC2)nc1C O=C(C[*:1])N1CCCC1 CCOC(=O)c1cn(CN2CCC(CC2)[*:1])nc1C
CCOC(=O)c1cn(CN2CCC(CC(=O)N3CCCC3)CC2)nc1C O=C(N1CCCC1)[*:1] CCOC(=O)c1cn(CN2CCC(CC2)C[*:1])nc1C
O=C(NC[C@@H]1CC=CCC1)OCCO OCC[*:1] O=C(NC[C@@H]1CC=CCC1)O[*:1]
C#CCn1/c(=N/C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2cccc(C)c21 O=[N+]([O-])[*:1] C#CCn1/c(=N/C(=O)c2cc(cc(c2)[*:1])[N+](=O)[O-])sc2cccc(C)c21
C#CCn1/c(=N/C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2cccc(C)c21 C#CC[*:1] Cc1cccc2s/c(=N\C(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])n(c12)[*:1]
COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2)cc1 COc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1ccccc1
COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)C1=C(C)NC(=O)N[C@@H]1[*:1]
Cc1nnc(SCCC(C)(C)O)s1 CC(C)(O)[*:1] Cc1nnc(SCC[*:1])s1
CCC[C@@H](C)NC(=O)[C@H](C)SCc1ccon1 CCC[*:1] C[C@H](SCc1ccon1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)SCc1ccon1 c1cc(no1)[*:1] CCC[C@@H](C)NC(=O)[C@H](C)SC[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)SCc1ccon1 CCC[C@@H](C)[*:1] C[C@H](SCc1ccon1)C(=O)N[*:1]
O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H](c1nccs1)C1CC1 c1csc(n1)[*:1] O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H](C1CC1)[*:1]
O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H](c1nccs1)C1CC1 C1CC1[*:1] O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H](c1nccs1)[*:1]
Cc1ccc(F)c(NC(=S)NNC(=O)c2ccc(OC3CCCC3)cc2)c1 C1CCC(C1)[*:1] Cc1ccc(F)c(c1)NC(=S)NNC(=O)c1ccc(cc1)O[*:1]
Cc1ccc(F)c(NC(=S)NNC(=O)c2ccc(OC3CCCC3)cc2)c1 Cc1ccc(F)c(c1)[*:1] O=C(NNC(=S)N[*:1])c1ccc(cc1)OC1CCCC1
Cc1ccc(F)c(NC(=S)NNC(=O)c2ccc(OC3CCCC3)cc2)c1 C1CCC(C1)O[*:1] Cc1ccc(F)c(c1)NC(=S)NNC(=O)c1ccc(cc1)[*:1]
CCc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)o1 Fc1ccccc1[*:1] CCc1ccc(C[NH+]2CCN(CC2)C(=O)C[*:1])o1
CCc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)o1 CCc1ccc(C[*:1])o1 O=C(Cc1ccccc1F)N1CC[NH+](CC1)[*:1]
CCc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)o1 CCc1ccc(o1)[*:1] O=C(Cc1ccccc1F)N1CC[NH+](CC1)C[*:1]
CCc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)o1 Fc1ccccc1C[*:1] CCc1ccc(C[NH+]2CCN(CC2)C(=O)[*:1])o1
O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)O[*:1]
O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Oc1ccccc1 c1csc(c1)[*:1] O=C(Cn1cnc2scc(c2c1=O)[*:1])Oc1ccccc1
Cc1ccc(C(=O)N2CCC(NC(=O)Cc3coc4cc(C)ccc34)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2c(coc2c1)CC(=O)NC1CCN(CC1)C(=O)[*:1]
[O-]/C(=N\c1nc(-c2ccco2)n[nH]1)[C@H]1COc2ccccc2C1 c1coc(c1)[*:1] [O-]/C(=N\c1nc(n[nH]1)[*:1])[C@H]1COc2ccccc2C1
CS(=O)(=O)c1ccc(Oc2ccc(C#N)cc2)c(N)c1 CS(=O)(=O)[*:1] N#Cc1ccc(cc1)Oc1ccc(cc1N)[*:1]
COC(=O)c1occc1CN1CCc2c(cccc2NC(C)=O)C1 CC(=O)N[*:1] COC(=O)c1occc1CN1CCc2c(cccc2[*:1])C1
COC(=O)c1occc1CN1CCc2c(cccc2NC(C)=O)C1 COC(=O)[*:1] CC(=O)Nc1cccc2CN(CCc21)Cc1ccoc1[*:1]
CCc1noc(CC)c1CC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C CC(C)(C)[*:1] CCc1noc(CC)c1CC(=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)O[*:1]
CCc1noc(CC)c1CC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C CCc1noc(CC)c1[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)C[*:1]
CSc1nccn1-c1cccc(C(=O)NCc2ccc(-n3cncn3)nc2)c1 c1ncn(n1)[*:1] CSc1nccn1-c1cccc(c1)C(=O)NCc1ccc(nc1)[*:1]
CSc1nccn1-c1cccc(C(=O)NCc2ccc(-n3cncn3)nc2)c1 CSc1nccn1[*:1] O=C(NCc1ccc(nc1)-n1cncn1)c1cccc(c1)[*:1]
Cc1[nH+]c([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)c2sccn12 C1CO[C@@H](C1)[*:1] Cc1[nH+]c(c2sccn12)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(Cl)cc1/C=C/C=N\c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] COc1ccc(Cl)cc1/C=C/C=N\c1ccc(cc1)[*:1]
CC[C@@H]1CC[C@](O)([C@H](F)C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H]1CC[C@@](O)(C1)[C@H](F)[*:1]
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2CCCN21)[*:1]
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)N1C(=O)[C@@H]2[C@@H]3CCCN3[C@H](C(=O)[*:1])[C@@H]2C1=O
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)c1 O=C(c1ccc(Cl)cc1)[*:1] Cc1cc(C)cc(c1)N1C(=O)[C@@H]2[C@@H]3CCCN3[C@H]([C@@H]2C1=O)[*:1]
O=c1[nH]c2ccccc2cc1C[NH2+]C(C1CC1)C1CC1 C1CC1[*:1] O=c1[nH]c2ccccc2cc1C[NH2+]C(C1CC1)[*:1]
Cc1cc(C)n([C@H](C)c2ccc(C(=O)[O-])o2)n1 O=C([O-])[*:1] Cc1cc(C)n(n1)[C@H](C)c1ccc(o1)[*:1]
CC(=O)Nc1c(C)cccc1C(=O)OCC(=O)/C(C#N)=C(\C)N CC(=O)N[*:1] C/C(N)=C(/C#N)C(=O)COC(=O)c1cccc(C)c1[*:1]
CC(=O)Nc1c(C)cccc1C(=O)OCC(=O)/C(C#N)=C(\C)N CC(N)=C(C#N)[*:1] CC(=O)Nc1c(C)cccc1C(=O)OCC(=O)[*:1]
COc1cccc([C@@H](Nc2ncc(C(F)(F)F)cc2Cl)c2[nH+]ccn2C)c1 COc1cccc(c1)[*:1] Cn1cc[nH+]c1[C@H](Nc1ncc(cc1Cl)C(F)(F)F)[*:1]
COc1cccc([C@@H](Nc2ncc(C(F)(F)F)cc2Cl)c2[nH+]ccn2C)c1 FC(F)(F)[*:1] COc1cccc(c1)[C@@H](Nc1ncc(cc1Cl)[*:1])c1[nH+]ccn1C
[NH3+][C@H](C1CCOCC1)[C@H]1CCO[C@]2(CCOC2)C1 C1CC(CCO1)[*:1] [NH3+][C@H]([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
Cc1nc(C2CCCC2)sc1/C([O-])=C(\C#N)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] Cc1nc(sc1C([O-])=C(C#N)[*:1])C1CCCC1
Cc1nc(C2CCCC2)sc1/C([O-])=C(\C#N)C(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1nc(sc1/C([O-])=C(\C#N)C(=O)N[*:1])C1CCCC1
Cc1nc(C2CCCC2)sc1/C([O-])=C(\C#N)C(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1nc(sc1/C([O-])=C(\C#N)C(=O)NC1CCCC1)[*:1]
CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(Cl)cc(CCl)c1F CC[C@@H](C)[*:1] CCN(C[*:1])S(=O)(=O)c1cc(Cl)cc(CCl)c1F
CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(Cl)cc(CCl)c1F CC[C@@H](C)C[*:1] CCN(S(=O)(=O)c1cc(Cl)cc(CCl)c1F)[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)o2)c1 c1ccc2[nH]c(nc2c1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(CC[*:1])o1
Cc1ccc(C)c(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)o2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)N[*:1]
CCOC(=O)C[NH+](Cc1nc(C)no1)C1CCCC1 CCOC(=O)C[*:1] Cc1noc(C[NH+](C2CCCC2)[*:1])n1
CCOC(=O)C[NH+](Cc1nc(C)no1)C1CCCC1 CCOC(=O)[*:1] Cc1noc(C[NH+](C[*:1])C2CCCC2)n1
CCOC(=O)C[NH+](Cc1nc(C)no1)C1CCCC1 Cc1noc(n1)[*:1] CCOC(=O)C[NH+](C[*:1])C1CCCC1
CCOC(=O)C[NH+](Cc1nc(C)no1)C1CCCC1 C1CCC(C1)[*:1] CCOC(=O)C[NH+](Cc1nc(C)no1)[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)NCCc2ccccc2)c(Cl)cc1Cl c1ccc(cc1)CC[*:1] CC(C)NS(=O)(=O)c1cc(C(=O)N[*:1])c(Cl)cc1Cl
CC(C)NS(=O)(=O)c1cc(C(=O)NCCc2ccccc2)c(Cl)cc1Cl CC(C)NS(=O)(=O)[*:1] O=C(NCCc1ccccc1)c1cc(c(Cl)cc1Cl)[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)NCCc2ccccc2)c(Cl)cc1Cl c1ccc(cc1)C[*:1] CC(C)NS(=O)(=O)c1cc(C(=O)NC[*:1])c(Cl)cc1Cl
CC(C)NS(=O)(=O)c1cc(C(=O)NCCc2ccccc2)c(Cl)cc1Cl CC(C)[*:1] O=C(NCCc1ccccc1)c1cc(c(Cl)cc1Cl)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)NCCc2ccccc2)c(Cl)cc1Cl c1ccc(cc1)[*:1] CC(C)NS(=O)(=O)c1cc(C(=O)NCC[*:1])c(Cl)cc1Cl
COc1cc([C@H]2c3[nH]c[nH+]c3CCN2Cc2nc3ccccc3[nH]2)ccc1O COc1cc(ccc1O)[*:1] c1ccc2[nH]c(CN3CCc4[nH+]c[nH]c4[C@@H]3[*:1])nc2c1
COc1cc([C@H]2c3[nH]c[nH+]c3CCN2Cc2nc3ccccc3[nH]2)ccc1O c1ccc2[nH]c(nc2c1)[*:1] COc1cc(ccc1O)[C@H]1c2[nH]c[nH+]c2CCN1C[*:1]
CCc1ccc(CCC(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)CCC(=O)O[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)C(C)(C)C c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](NC(=O)[*:1])C(=O)NNC(=O)C(C)(C)C
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)C(C)(C)C CC[C@@H](C)[*:1] CC(C)(C)C(=O)NNC(=O)[C@H](NC(=O)c1ccccc1)[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)C(C)(C)C CC(C)(C)[*:1] CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[*:1]
COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(C)=O)cc4)sc3n2)c1 COc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1sc2nc(ccc2c1N)[*:1]
COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(C)=O)cc4)sc3n2)c1 CC(=O)c1ccc(cc1)[*:1] COc1cccc(c1)-c1ccc2c(N)c(sc2n1)C(=O)N[*:1]
COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(C)=O)cc4)sc3n2)c1 CC(=O)[*:1] COc1cccc(c1)-c1ccc2c(N)c(sc2n1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)C(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 CC(C)[*:1] O=C(N1CCC[C@H](C1)n1nc(ccc1=O)-c1cccs1)[*:1]
CC(C)C(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 c1csc(c1)[*:1] CC(C)C(=O)N1CCC[C@H](C1)n1nc(ccc1=O)[*:1]
CCc1nn(C)cc1C(=O)OCCN1CCCC1=O O=C1CCCN1[*:1] CCc1nn(C)cc1C(=O)OCC[*:1]
C[C@H]1CCC[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)[C@@H]1C FC(F)(F)[*:1] C[C@H]1CCC[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])[*:1])[C@@H]1C
C[C@H]1CCC[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)[C@@H]1C O=C([O-])[*:1] C[C@H]1CCC[C@@H](NC(=O)N[C@@](C)(C(F)(F)F)[*:1])[C@@H]1C
CC[C@](C)(NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NS(=O)(=O)c1ccc(cc1)C(C)C)[*:1]
CC[C@](C)(NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)[O-] CC(C)[*:1] CC[C@](C)(NS(=O)(=O)c1ccc(cc1)[*:1])C(=O)[O-]
CCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl Fc1ccc(cc1)[*:1] CCCNC(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)[*:1]
CCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl CCC[*:1] CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
CCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl CCCNC(=O)[*:1] CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CCC[C@@H](C)n1c(CCl)nc2c(C)nn(CC)c21 CCC[*:1] CCn1nc(C)c2nc(CCl)n(c21)[C@H](C)[*:1]
CCC[C@@H](C)n1c(CCl)nc2c(C)nn(CC)c21 CCC[C@@H](C)[*:1] CCn1nc(C)c2nc(CCl)n(c21)[*:1]
O=C(NC[C@@H]1Cc2cc(-c3cccnc3)cc(F)c2O1)c1ccc2ccccc2c1 c1cncc(c1)[*:1] O=C(NC[C@@H]1Cc2cc(cc(F)c2O1)[*:1])c1ccc2ccccc2c1
O=C(NC[C@@H]1Cc2cc(-c3cccnc3)cc(F)c2O1)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] O=C(NC[C@@H]1Cc2cc(cc(F)c2O1)-c1cccnc1)[*:1]
CC(C)c1csc(NC(=O)CCn2cnc3ccccc3c2=O)n1 CC(C)[*:1] O=C(CCn1cnc2ccccc2c1=O)Nc1nc(cs1)[*:1]
CC(C)c1csc(NC(=O)CCn2cnc3ccccc3c2=O)n1 CC(C)c1csc(n1)[*:1] O=C(CCn1cnc2ccccc2c1=O)N[*:1]
CCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1 Cc1ccc(cc1)[*:1] CCNC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1 CCNC(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
[NH3+]CC1CCC(c2c(C(=O)NCCO)sc3ccccc23)CC1 OCC[*:1] [NH3+]CC1CCC(CC1)c1c(sc2ccccc12)C(=O)N[*:1]
[NH3+]CC1CCC(c2c(C(=O)NCCO)sc3ccccc23)CC1 O=C(NCCO)[*:1] [NH3+]CC1CCC(CC1)c1c(sc2ccccc12)[*:1]
CCCn1ccc2ccc(NC(=O)C(=O)NCCc3cccc(C)c3)cc21 CCC[*:1] Cc1cccc(c1)CCNC(=O)C(=O)Nc1ccc2ccn(c2c1)[*:1]
CCCn1ccc2ccc(NC(=O)C(=O)NCCc3cccc(C)c3)cc21 Cc1cccc(c1)C[*:1] CCCn1ccc2ccc(cc21)NC(=O)C(=O)NC[*:1]
CCCn1ccc2ccc(NC(=O)C(=O)NCCc3cccc(C)c3)cc21 Cc1cccc(c1)[*:1] CCCn1ccc2ccc(cc21)NC(=O)C(=O)NCC[*:1]
CCCn1ccc2ccc(NC(=O)C(=O)NCCc3cccc(C)c3)cc21 Cc1cccc(c1)CC[*:1] CCCn1ccc2ccc(cc21)NC(=O)C(=O)N[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1ccccc1C(=O)c1cc(C)ccc1C C=CC[*:1] Cc1ccc(C)c(c1)C(=O)c1ccccc1/C([O-])=N/S(=O)(=O)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1ccccc1C(=O)c1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] C=CCS(=O)(=O)/N=C(\[O-])c1ccccc1C(=O)[*:1]
Cc1ccc(S(C)(=O)=O)cc1NCC(=O)N1c2ccccc2CC[C@@H]1C CS(=O)(=O)[*:1] Cc1ccc(cc1NCC(=O)N1c2ccccc2CC[C@@H]1C)[*:1]
COc1ccc(-c2nn(C)c3sc(C(=O)NCCc4cccc(C)c4)cc23)cc1OC Cc1cccc(c1)[*:1] COc1ccc(cc1OC)-c1nn(C)c2sc(cc12)C(=O)NCC[*:1]
COc1ccc(-c2nn(C)c3sc(C(=O)NCCc4cccc(C)c4)cc23)cc1OC COc1ccc(cc1OC)[*:1] Cc1cccc(c1)CCNC(=O)c1cc2c(nn(C)c2s1)[*:1]
COc1ccc(-c2nn(C)c3sc(C(=O)NCCc4cccc(C)c4)cc23)cc1OC Cc1cccc(c1)CC[*:1] COc1ccc(cc1OC)-c1nn(C)c2sc(cc12)C(=O)N[*:1]
COc1ccc(-c2nn(C)c3sc(C(=O)NCCc4cccc(C)c4)cc23)cc1OC Cc1cccc(c1)C[*:1] COc1ccc(cc1OC)-c1nn(C)c2sc(cc12)C(=O)NC[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccccn3)CC2)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)N2CCN(CC2)Cc2ccccn2)c(C)c1[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccccn3)CC2)c1C c1ccc(C[*:1])nc1 CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC2)[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccccn3)CC2)c1C c1ccc(nc1)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC2)C[*:1])c1C
COc1ccccc1/C=C/C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccccc1/C=C/C(=O)c1ccc(Cl)c(c1)[*:1]
Cc1ccc2c(c1)c1c(n2/C=C\c2ccc(F)cc2)CC[NH+](C)C1 Fc1ccc(cc1)[*:1] Cc1ccc2c(c1)c1C[NH+](C)CCc1n2C=C[*:1]
CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4c(c3)OCO4)C2)cc1 CS(=O)(=O)N[*:1] CS(=O)(=O)N1N=C(C[C@H]1c1ccc2OCOc2c1)c1ccc(cc1)[*:1]
CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4c(c3)OCO4)C2)cc1 c1cc2OCOc2cc1[*:1] CS(=O)(=O)Nc1ccc(cc1)C1C[C@@H](N(N=1)S(C)(=O)=O)[*:1]
c1ccc2c(SCc3nnc(C4CC4)o3)nncc2c1 C1CC1[*:1] c1ccc2c(nncc2c1)SCc1nnc(o1)[*:1]
C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)CC1CCCCC1 C1CCC(CC1)C[*:1] C[C@H](c1cccc(c1)S(N)(=O)=O)N(C)S(=O)(=O)[*:1]
C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)CC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](c1cccc(c1)S(N)(=O)=O)N(C)S(=O)(=O)C[*:1]
C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)CC1CCCCC1 NS(=O)(=O)[*:1] C[C@H](c1cccc(c1)[*:1])N(C)S(=O)(=O)CC1CCCCC1
Cc1ccccc1[C@@H]([NH2+]CCCS(C)(=O)=O)C1CC1 C1CC1[*:1] Cc1ccccc1[C@@H]([NH2+]CCCS(C)(=O)=O)[*:1]
Cc1ccccc1[C@@H]([NH2+]CCCS(C)(=O)=O)C1CC1 CS(=O)(=O)CC[*:1] Cc1ccccc1[C@@H]([NH2+]C[*:1])C1CC1
Cc1ccccc1[C@@H]([NH2+]CCCS(C)(=O)=O)C1CC1 CS(=O)(=O)C[*:1] Cc1ccccc1[C@@H]([NH2+]CC[*:1])C1CC1
Cc1ccccc1[C@@H]([NH2+]CCCS(C)(=O)=O)C1CC1 CS(=O)(=O)[*:1] Cc1ccccc1[C@@H]([NH2+]CCC[*:1])C1CC1
CO[C@@]1(C)C[C@@H](NC(=O)c2cccc(Nc3cnccn3)c2)C1(C)C c1cnc(cn1)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)c2cccc(c2)N[*:1])C1(C)C
CO[C@@]1(C)C[C@@H](NC(=O)c2cccc(Nc3cnccn3)c2)C1(C)C c1cnc(cn1)N[*:1] CO[C@@]1(C)C[C@@H](NC(=O)c2cccc(c2)[*:1])C1(C)C
O=C([O-])c1ccc(-c2ccc(=O)[nH]c2)cc1 O=C([O-])[*:1] O=c1ccc(c[nH]1)-c1ccc(cc1)[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@H](C)c2ccc(C)c(F)c2)o1 Cc1ccc(o1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)NNC(=O)[*:1]
CC(C)c1ccc2nc(-c3cccc(NC(=O)C4CCC4)c3)[nH]c(=O)c2c1 CC(C)[*:1] O=C(Nc1cccc(c1)-c1nc2ccc(cc2c(=O)[nH]1)[*:1])C1CCC1
CC(C)c1ccc2nc(-c3cccc(NC(=O)C4CCC4)c3)[nH]c(=O)c2c1 O=C(N[*:1])C1CCC1 CC(C)c1ccc2nc([nH]c(=O)c2c1)-c1cccc(c1)[*:1]
CC(C)c1ccc2nc(-c3cccc(NC(=O)C4CCC4)c3)[nH]c(=O)c2c1 C1CC(C1)[*:1] CC(C)c1ccc2nc([nH]c(=O)c2c1)-c1cccc(c1)NC(=O)[*:1]
CCn1c(C[C@H](O)c2ccoc2)nc2ccccc21 c1cc(co1)[*:1] CCn1c(C[C@H](O)[*:1])nc2ccccc21
CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 NC(=O)[*:1] CC(C)[NH+]1CCC(CC1)N(C)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 CC(C)[*:1] CN(C1CC[NH+](CC1)[*:1])S(=O)(=O)c1ccc(cc1)C(N)=O
O=C(Nc1ccc(Cl)c(Cl)c1)OCCCc1ccncc1 c1cc(ccn1)C[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)OCC[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)OCCCc1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)OCCC[*:1]
O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cc3ccoc3cn2)CC1 c1cc2cc(ncc2o1)[*:1] O=C(c1ccc(Cl)cc1)N1CCCN(CC1)C(=O)[*:1]
O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cc3ccoc3cn2)CC1 Clc1ccc(cc1)[*:1] O=C(c1cc2ccoc2cn1)N1CCCN(CC1)C(=O)[*:1]
C[C@@]1(CNC(=O)C[NH2+]CC2CC2)CCCO1 C1CC1[*:1] C[C@]1(CCCO1)CNC(=O)C[NH2+]C[*:1]
C[C@@]1(CNC(=O)C[NH2+]CC2CC2)CCCO1 C1CC1C[*:1] C[C@]1(CCCO1)CNC(=O)C[NH2+][*:1]
O=C(NC[C@@H]1C[C@]12CCc1ccccc12)c1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(NC[C@@H]1C[C@]12CCc1ccccc12)c1n[nH]c2ccc(cc12)[*:1]
CC(C)OC1=C(OC(C)C)[C@@]2(O)[C@H](C)CC[C@H]2C1=O CC(C)[*:1] CC(C)OC1=C(O[*:1])C(=O)[C@@H]2CC[C@@H](C)[C@]12O
CC(C)OC1=C(OC(C)C)[C@@]2(O)[C@H](C)CC[C@H]2C1=O CC(C)[*:1] CC(C)OC1C(=O)[C@@H]2CC[C@@H](C)[C@]2(O)C=1O[*:1]
CC(C)OC1=C(OC(C)C)[C@@]2(O)[C@H](C)CC[C@H]2C1=O CC(C)O[*:1] CC(C)OC1C(=O)[C@@H]2CC[C@@H](C)[C@]2(O)C=1[*:1]
CC(C)OC1=C(OC(C)C)[C@@]2(O)[C@H](C)CC[C@H]2C1=O CC(C)O[*:1] CC(C)OC1=C(C(=O)[C@@H]2CC[C@@H](C)[C@]12O)[*:1]
CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C=O)s2)cc1 O=Cc1ccc(s1)[*:1] CC(C)(C)OC(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C=O)s2)cc1 CC(C)(C)[*:1] O=Cc1ccc(s1)-c1ccc(cc1)NC(=O)O[*:1]
CCOC(=O)[C@@]1(CC)CCC/C1=N\NC(N)=O CCOC(=O)[*:1] CC[C@]1(CCC/C1=N\NC(N)=O)[*:1]
O=[N+]([O-])/N=c1/nc(N2CCC[NH2+]CC2)cc(-c2ccccn2)[n-]1 c1ccc(nc1)[*:1] O=[N+]([O-])/N=c1/nc(cc([n-]1)[*:1])N1CCC[NH2+]CC1
C[C@H]1CCc2c(C(=O)Nc3cc(C(=O)N(C)C)ccc3F)csc2C1 CN(C)C(=O)[*:1] C[C@H]1CCc2c(csc2C1)C(=O)Nc1cc(ccc1F)[*:1]
CN(C)c1c(Cl)cccc1N[C@H]1CCC[C@H]([NH3+])C1 CN(C)[*:1] [NH3+][C@H]1CCC[C@@H](C1)Nc1cccc(Cl)c1[*:1]
O=C(CN1C(=O)COc2ccccc21)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1ccc(cc1)C[*:1] O=C(CN1C(=O)COc2ccccc21)Nc1nc2CC[NH+](Cc2s1)[*:1]
O=C(CN1C(=O)COc2ccccc21)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1ccc(cc1)[*:1] O=C(CN1C(=O)COc2ccccc21)Nc1nc2CC[NH+](Cc2s1)C[*:1]
Cc1ccc(Oc2ccc(NC(=O)C[NH2+]CC(F)(F)F)cc2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[NH2+]CC(F)(F)F)Nc1ccc(cc1)[*:1]
Cc1ccc(Oc2ccc(NC(=O)C[NH2+]CC(F)(F)F)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(C[NH2+]CC(F)(F)F)Nc1ccc(cc1)O[*:1]
Cc1ccc(Oc2ccc(NC(=O)C[NH2+]CC(F)(F)F)cc2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)C[NH2+]C[*:1]
CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2nc[nH]n2)C1 CCOC(=O)N[*:1] O=C([C@@H]1C[C@@H]1c1nc[nH]n1)N1CCC[C@H](C1)[*:1]
O=C1CC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)O1 O=C1CC[C@@H](O1)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)[*:1]
O=C1CC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)O1 FC(F)(F)[*:1] O=C1CC[C@H](O1)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
O=C1CC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)O1 Clc1ccc(cc1)[*:1] O=C1CC[C@H](O1)C(=O)N[C@H](C(F)(F)F)[*:1]
CC[C@H](C)Nc1ncnc(NCc2ccc(F)cc2)c1N CC[C@H](C)[*:1] Nc1c(ncnc1N[*:1])NCc1ccc(F)cc1
CC[C@H](C)Nc1ncnc(NCc2ccc(F)cc2)c1N Fc1ccc(cc1)[*:1] CC[C@H](C)Nc1ncnc(NC[*:1])c1N
CC[C@H](C)Nc1ncnc(NCc2ccc(F)cc2)c1N CC[C@H](C)N[*:1] Nc1c(ncnc1[*:1])NCc1ccc(F)cc1
COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c2ccccc12 c1ccc(cc1)[*:1] COc1ccc(c2ccccc12)[C@@H](C)[NH2+][C@@H](C)c1cn(nn1)[*:1]
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(NNC(=O)[*:1])[C@@H]1COc2ccccc2O1
CC(=O)Nc1ccc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)cc1 CC(=O)N[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)cc1 NC(=O)[*:1] CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1nc2ccccc2n1C C[NH+](C)CC[*:1] C[C@H]([NH2+]C1CCN(CC1)[*:1])c1nc2ccccc2n1C
C[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C[C@H]1O c1ccc(cc1)C[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
C[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C[C@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CCN(C(=O)c4cn(C)nc4OC)CC3)nc21 CCOC(=O)[*:1] COc1nn(C)cc1C(=O)N1CCC(CC1)C(=O)Nc1nc2c(CC[C@@H]2[*:1])s1
CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CCN(C(=O)c4cn(C)nc4OC)CC3)nc21 COc1nn(C)cc1[*:1] CCOC(=O)[C@H]1CCc2sc(nc21)NC(=O)C1CCN(CC1)C(=O)[*:1]
COc1ccc(NC(C)=O)c(NC(=O)c2ccc(Br)cc2O)c1 CC(=O)N[*:1] COc1ccc(c(c1)NC(=O)c1ccc(Br)cc1O)[*:1]
COc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc3ccn(C)c3c2)cc1 COc1ccc(cc1)[*:1] Cn1ccc2ccc(cc21)NC(=O)C(=O)NC[C@H](O)[*:1]
Cc1nn(C)cc1CCC(=O)N(C(C)C)C1CCC1 C1CC(C1)[*:1] Cc1nn(C)cc1CCC(=O)N(C(C)C)[*:1]
Cc1nn(C)cc1CCC(=O)N(C(C)C)C1CCC1 CC(C)[*:1] Cc1nn(C)cc1CCC(=O)N(C1CCC1)[*:1]
C[C@@H](C(=O)N(C)Cc1ccccc1)[S@](=O)Cc1ncc(Cl)n1C c1ccc(cc1)[*:1] C[C@@H](C(=O)N(C)C[*:1])[S@](=O)Cc1ncc(Cl)n1C
C[C@@H](C(=O)N(C)Cc1ccccc1)[S@](=O)Cc1ncc(Cl)n1C c1ccc(cc1)C[*:1] C[C@@H](C(=O)N(C)[*:1])[S@](=O)Cc1ncc(Cl)n1C
C[C@@H](C(=O)N(C)Cc1ccccc1)[S@](=O)Cc1ncc(Cl)n1C Cn1c(Cl)cnc1[*:1] C[C@@H](C(=O)N(C)Cc1ccccc1)[S@](=O)C[*:1]
O=C(c1cc(N2CCN(Cc3cc(=O)n4ccsc4[nH+]3)CC2)ccc1[N+](=O)[O-])N1CCCC1 O=[N+]([O-])[*:1] O=C(c1cc(ccc1[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2[nH+]1)N1CCCC1
O=C(c1cc(N2CCN(Cc3cc(=O)n4ccsc4[nH+]3)CC2)ccc1[N+](=O)[O-])N1CCCC1 O=C(N1CCCC1)[*:1] O=c1cc(CN2CCN(CC2)c2ccc(c(c2)[*:1])[N+](=O)[O-])[nH+]c2sccn12
CCc1ccc([C@H](COC)Nc2nccc(C)n2)o1 COC[*:1] CCc1ccc(o1)[C@H](Nc1nccc(C)n1)[*:1]
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CCO)CC1 OCC[*:1] O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)[*:1]
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CCO)CC1 c1ccc(cc1)[*:1] O=C(CC(c1ccccc1)[*:1])N1CCN(CCO)CC1
O=C(Nc1nnc(-c2ccccc2)s1)[C@@H]1COc2ccccc2O1 c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[*:1])[C@@H]1COc2ccccc2O1
Cc1cc(NC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)n(C)n1 O=C(NCC1CC1)[*:1] Cc1cc(NC(=O)N2CCC[C@H](C2)[*:1])n(C)n1
Cc1cc(NC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(NCC1CC1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1cc(NC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)n(C)n1 C1CC1C[*:1] Cc1cc(NC(=O)N2CCC[C@@H](C2)C(=O)N[*:1])n(C)n1
Cc1cc(NC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)n(C)n1 C1CC1[*:1] Cc1cc(NC(=O)N2CCC[C@@H](C2)C(=O)NC[*:1])n(C)n1
COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc2ccccc2[nH]1 COc1ccccc1[*:1] C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)N[*:1]
CCCCC[C@@H](C)N1C(=O)[C@H]2CCCN2C(=O)[C@H]1CC CCCC[*:1] CC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1[C@H](C)C[*:1]
CCCCC[C@@H](C)N1C(=O)[C@H]2CCCN2C(=O)[C@H]1CC CCCCC[*:1] CC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1[C@H](C)[*:1]
CCCCC[C@@H](C)N1C(=O)[C@H]2CCCN2C(=O)[C@H]1CC CCC[*:1] CC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1[C@H](C)CC[*:1]
CN(C)S(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)NCc1cn(nc1[*:1])-c1ccccc1
CN(C)S(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)NCc1cn(nc1-c1ccccc1)[*:1]
CN(C)S(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 CN(C)S(=O)(=O)N[*:1] c1ccc(cc1)-c1nn(cc1C[*:1])-c1ccccc1
CN(C)S(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 CN(C)S(=O)(=O)NC[*:1] c1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
C[NH2+][C@@H](c1ccc(C(C)C)cc1)[C@H]1CSCCS1 CC(C)[*:1] C[NH2+][C@@H](c1ccc(cc1)[*:1])[C@H]1CSCCS1
CC(C)c1ocnc1C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CC(C)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ncoc1[*:1]
O=C(NCCC[NH+]1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCCCC1)NC1CC[NH+](CC1)C[*:1]
O=C(NCCC[NH+]1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(NCCC[NH+]1CCCCC1)NC1CC[NH+](CC1)[*:1]
Cc1ncccc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 Cc1ncccc1[*:1] O=C(N[*:1])C1CCN(CC1)c1nc2ccccc2s1
O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(N[C@H]1CCCc2cc(ccc21)OC(F)F)[*:1]
O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@@H]1CCCO1 FC(F)O[*:1] O=C(N[C@H]1CCCc2cc(ccc21)[*:1])[C@@H]1CCCO1
O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@@H]1CCCO1 FC(F)[*:1] O=C(N[C@H]1CCCc2cc(ccc21)O[*:1])[C@@H]1CCCO1
CS(=O)(=O)c1ccccc1NC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 CS(=O)(=O)[*:1] O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccccc1[*:1]
Cc1ccc(NC(=O)CCc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c(C)c1 Cc1ccc(NC(=O)[*:1])c(C)c1 O=S(=O)(c1ccc(cc1)-c1noc(CC[*:1])n1)N1CCOCC1
Cc1ccc(NC(=O)CCc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CCc1nc(no1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1)N[*:1]
Cc1ccc(NC(=O)CCc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c(C)c1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(NC(=O)CCc2nc(no2)-c2ccc(cc2)[*:1])c(C)c1
Cc1c(CN2CCN(C(=O)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])CN1CCN(CC1)C(=O)c1cccc(F)c1
Cc1c(CN2CCN(C(=O)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] Fc1cccc(c1)[*:1] Cc1c(cccc1[N+](=O)[O-])CN1CCN(CC1)C(=O)[*:1]
O=C([O-])c1ccc2nc(Cl)sc2c1 O=C([O-])[*:1] Clc1nc2ccc(cc2s1)[*:1]
CCOc1cccc(O[C@@H]2CC[C@]([NH3+])(CO)C2)c1 CCO[*:1] [NH3+][C@]1(CO)CC[C@H](C1)Oc1cccc(c1)[*:1]
COCCCN(C(=O)Cc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 COC[*:1] O=C(Cc1cccc(F)c1F)N(CC[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)Cc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 Fc1cccc(c1F)[*:1] COCCCN(C(=O)C[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)Cc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] O=C(Cc1cccc(F)c1F)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)Cc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 COCCC[*:1] O=C(Cc1cccc(F)c1F)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(S(=O)(=O)/N=C2\NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3[O-])S2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C1\NC(=O)/C(=C/c2cc(ccc2[O-])[*:1])S1
Cc1ccc(S(=O)(=O)/N=C2\NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3[O-])S2)cc1 Cc1ccc(cc1)[*:1] O=C1N/C(=N\S(=O)(=O)[*:1])S/C1=C\c1cc(ccc1[O-])[N+](=O)[O-]
O=C(Cc1cccc(Cl)c1)NCCNC(=O)c1ccc2c(c1)SCC(=O)N2 Clc1cccc(c1)[*:1] O=C(C[*:1])NCCNC(=O)c1ccc2NC(=O)CSc2c1
O=C(Cc1cccc(Cl)c1)NCCNC(=O)c1ccc2c(c1)SCC(=O)N2 Clc1cccc(c1)C[*:1] O=C1CSc2cc(ccc2N1)C(=O)NCCNC(=O)[*:1]
Cc1csc(N2CC[NH+](CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)CC2)n1 Cc1csc(n1)[*:1] O=C1C[C@@H](N(C(=O)C[NH+]2CCN(CC2)[*:1])c2ccccc2N1)C(F)(F)F
Cc1csc(N2CC[NH+](CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)CC2)n1 FC(F)(F)[*:1] Cc1csc(n1)N1CC[NH+](CC1)CC(=O)N1c2ccccc2NC(=O)C[C@H]1[*:1]
O=C([O-])N(/N=C\c1ccccn1)c1ccc(C(F)(F)F)cc1 c1ccc(nc1)[*:1] O=C([O-])N(N=C[*:1])c1ccc(cc1)C(F)(F)F
O=C([O-])N(/N=C\c1ccccn1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C([O-])N(/N=C\c1ccccn1)c1ccc(cc1)[*:1]
NC(=O)[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)C1 NC(=O)[*:1] O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CC[C@@H](C1)[*:1]
Cc1ccc([C@@H](CNCc2cc(C#N)n(C)c2C)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] Cc1c(cc(C#N)n1C)CNC[C@@H](N1CCOCC1)[*:1]
Cc1ccc([C@@H](CNCc2cc(C#N)n(C)c2C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](CNCc1cc(C#N)n(C)c1C)[*:1]
Cc1ccc(C(=O)CSc2nc(=O)n([C@H]3CCS(=O)(=O)C3)c3c2CCC3)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nc(=O)n(c2CCCc12)[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(C(=O)CSc2nc(=O)n([C@H]3CCS(=O)(=O)C3)c3c2CCC3)cc1 Cc1ccc(cc1)C(=O)[*:1] O=c1nc(SC[*:1])c2CCCc2n1[C@H]1CCS(=O)(=O)C1
COC(=O)C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(Br)cc1 COC(=O)C[*:1] O=C(N[C@H](c1ccc(Br)cc1)[*:1])c1cccc(c1)N1CCCS1(=O)=O
COC(=O)C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COC(=O)C[C@H](NC(=O)c1cccc(c1)N1CCCS1(=O)=O)[*:1]
COC(=O)C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(Br)cc1 COC(=O)[*:1] O=C(N[C@@H](C[*:1])c1ccc(Br)cc1)c1cccc(c1)N1CCCS1(=O)=O
COC(=O)C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(Br)cc1 O=S1(=O)CCCN1[*:1] COC(=O)C[C@H](NC(=O)c1cccc(c1)[*:1])c1ccc(Br)cc1
C/C(=N\NC(=O)COc1ccccc1C)c1cccs1 c1csc(c1)[*:1] CC(=NNC(=O)COc1ccccc1C)[*:1]
C[C@H](Br)C(=O)c1ccc(OCC(=O)[O-])cc1 O=C([O-])[*:1] C[C@H](Br)C(=O)c1ccc(cc1)OC[*:1]
C[C@H](Br)C(=O)c1ccc(OCC(=O)[O-])cc1 O=C([O-])CO[*:1] C[C@H](Br)C(=O)c1ccc(cc1)[*:1]
C[C@H](Br)C(=O)c1ccc(OCC(=O)[O-])cc1 C[C@H](Br)C(=O)[*:1] O=C([O-])COc1ccc(cc1)[*:1]
C[C@H](Br)C(=O)c1ccc(OCC(=O)[O-])cc1 C[C@H](Br)[*:1] O=C([O-])COc1ccc(cc1)C(=O)[*:1]
C[C@H](Br)C(=O)c1ccc(OCC(=O)[O-])cc1 O=C([O-])C[*:1] C[C@H](Br)C(=O)c1ccc(cc1)O[*:1]
CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3C)C2)c1 Cc1cccc(c1C)[*:1] CCn1cnc(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3C)C2)c1 CCn1cnc(c1)[*:1] Cc1cccc(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)[*:1])c1C
C=CCOC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 C=CC[*:1] O=C(COc1ccc2c(=O)c(coc2c1)-c1ccccc1)O[*:1]
C=CCOC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 C=CCOC(=O)[*:1] O=c1c(coc2cc(ccc12)OC[*:1])-c1ccccc1
C=CCOC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 C=CCOC(=O)C[*:1] O=c1c(coc2cc(ccc12)O[*:1])-c1ccccc1
C=CCOC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 C=CCOC(=O)CO[*:1] O=c1c(coc2cc(ccc12)[*:1])-c1ccccc1
C=CCOC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 c1ccc(cc1)[*:1] C=CCOC(=O)COc1ccc2c(=O)c(coc2c1)[*:1]
COc1cccc(NC(=O)C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)C(=O)N1CCC(CC1)OC[*:1]
COc1cccc(NC(=O)C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])C(=O)N1CCC(CC1)OCc1ccc(F)cc1
COc1cccc(NC(=O)C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)CO[*:1] COc1cccc(c1)NC(=O)C(=O)N1CCC(CC1)[*:1]
COc1cccc(NC(=O)C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)C(=O)N1CCC(CC1)O[*:1]
C=CCN(Cc1cc(=O)n2cccc(C)c2[nH+]1)Cc1cccs1 c1csc(c1)C[*:1] C=CCN(Cc1cc(=O)n2cccc(C)c2[nH+]1)[*:1]
C=CCN(Cc1cc(=O)n2cccc(C)c2[nH+]1)Cc1cccs1 C=CC[*:1] Cc1cccn2c(=O)cc(CN(Cc3cccs3)[*:1])[nH+]c12
C=CCN(Cc1cc(=O)n2cccc(C)c2[nH+]1)Cc1cccs1 c1csc(c1)[*:1] C=CCN(Cc1cc(=O)n2cccc(C)c2[nH+]1)C[*:1]
CN(C)C(=O)N1CCCC[C@@H]1/C(N)=N/O N/C(=N\O)[*:1] CN(C)C(=O)N1CCCC[C@H]1[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)NCCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)NCC[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)NCCc1cccc(Cl)c1 Cc1cccc(C)c1[*:1] O=C(CNC(=O)NCCc1cccc(Cl)c1)N[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)NCCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)NC[*:1]
COc1ccc(C2=NN(C(=O)COC(=O)c3c(C)noc3N)[C@H](c3ccco3)C2)cc1 Cc1noc(N)c1C(=O)O[*:1] COc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C(=O)C[*:1]
COc1ccc(C2=NN(C(=O)COC(=O)c3c(C)noc3N)[C@H](c3ccco3)C2)cc1 Cc1noc(N)c1[*:1] COc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C(=O)COC(=O)[*:1]
COc1ccc(C2=NN(C(=O)COC(=O)c3c(C)noc3N)[C@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)COC(=O)c1c(C)noc1N)[*:1]
COc1ccc(C2=NN(C(=O)COC(=O)c3c(C)noc3N)[C@H](c3ccco3)C2)cc1 COc1ccc(cc1)[*:1] Cc1noc(N)c1C(=O)OCC(=O)N1N=C(C[C@H]1c1ccco1)[*:1]
CN1CCO[C@H](c2noc(-c3ccccc3C(=O)[O-])n2)C1 O=C([O-])[*:1] CN1CCO[C@@H](C1)c1noc(n1)-c1ccccc1[*:1]
CN1CCO[C@H](c2noc(-c3ccccc3C(=O)[O-])n2)C1 CN1CCO[C@H](C1)[*:1] O=C([O-])c1ccccc1-c1nc(no1)[*:1]
CCc1nn(C)c(N2C[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(c1[*:1])N1C[C@H](C)[C@@H](C)C1
CC(C)c1ccc(NC(=O)N2CCC[C@@H](CO)C2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[C@@H](CO)C1
C[NH+](C)CC(=O)N1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 Clc1cccc(c1)[*:1] C[NH+](C)CC(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
COC(=O)c1ccc(NC(=O)CNc2cccc(NC(C)=O)c2)cc1 CC(=O)N[*:1] COC(=O)c1ccc(cc1)NC(=O)CNc1cccc(c1)[*:1]
COC(=O)c1ccc(NC(=O)CNc2cccc(NC(C)=O)c2)cc1 COC(=O)[*:1] CC(=O)Nc1cccc(c1)NCC(=O)Nc1ccc(cc1)[*:1]
CCCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OCC)[C@H]2c1ccc(Cl)cc1 CCC[*:1] CCOC(=O)C1=C(C)NC2=NC(=NC(=O)[C@@H]2[C@@H]1c1ccc(Cl)cc1)S[*:1]
CCCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OCC)[C@H]2c1ccc(Cl)cc1 CCOC(=O)[*:1] CCCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C([C@H]2c1ccc(Cl)cc1)[*:1]
CCCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OCC)[C@H]2c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OCC)[C@@H]2[*:1]
C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O Cn1cc(cn1)[*:1] C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCN(C1=O)[*:1]
C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O C=CC[*:1] C[C@@H]([NH2+][C@@H]1CCN(C1=O)c1cnn(C)c1)[C@H](C)[*:1]
C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O C=CC[C@@H](C)[*:1] C[C@@H]([NH2+][C@@H]1CCN(C1=O)c1cnn(C)c1)[*:1]
CC(C)(C)C(=O)NCc1ccc(C(=O)NC[C@@]2(O)CCSC2)cc1 CC(C)(C)C(=O)N[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(cc1)C[*:1]
CC(C)(C)C(=O)NCc1ccc(C(=O)NC[C@@]2(O)CCSC2)cc1 CC(C)(C)C(=O)NC[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(cc1)[*:1]
CC(C)(C)C(=O)NCc1ccc(C(=O)NC[C@@]2(O)CCSC2)cc1 CC(C)(C)[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(cc1)CNC(=O)[*:1]
COc1ccc(CNC(=O)N[C@H](C)CCc2ccccc2)cc1C c1ccc(cc1)[*:1] COc1ccc(cc1C)CNC(=O)N[C@H](C)CC[*:1]
COc1ccc(CNC(=O)N[C@H](C)CCc2ccccc2)cc1C c1ccc(cc1)C[*:1] COc1ccc(cc1C)CNC(=O)N[C@H](C)C[*:1]
COc1ccc(CNC(=O)N[C@H](C)CCc2ccccc2)cc1C c1ccc(cc1)CC[*:1] COc1ccc(cc1C)CNC(=O)N[C@H](C)[*:1]
Cc1nc(CC(=O)N2[C@@H](C(=O)[O-])C[C@@H]3CCCC[C@H]32)cs1 O=C([O-])[*:1] Cc1nc(cs1)CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1[*:1]
Cc1nc(CC(=O)N2[C@@H](C(=O)[O-])C[C@@H]3CCCC[C@H]32)cs1 Cc1nc(cs1)[*:1] O=C([O-])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[*:1]
Cc1nc(CC(=O)N2[C@@H](C(=O)[O-])C[C@@H]3CCCC[C@H]32)cs1 Cc1nc(cs1)C[*:1] O=C([O-])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[*:1]
O=C(Cc1ccc(F)c(F)c1)NCc1ccc(-c2nnn[n-]2)cc1 Fc1ccc(cc1F)[*:1] O=C(C[*:1])NCc1ccc(cc1)-c1nnn[n-]1
CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(Cl)cc1 NS(=O)(=O)[*:1] CCn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)Nc1ccc(cc1)[*:1]
O=C(COc1ccc2ccccc2c1)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(COc1ccc2ccccc2c1)N1CCO[C@H](C1)[*:1]
COc1cccc(/C(C)=N/Nc2nnc(SCc3ccccc3Cl)n2N)c1 Clc1ccccc1C[*:1] COc1cccc(c1)/C(C)=N/Nc1nnc(S[*:1])n1N
COc1cccc(/C(C)=N/Nc2nnc(SCc3ccccc3Cl)n2N)c1 Clc1ccccc1CS[*:1] COc1cccc(c1)/C(C)=N/Nc1nnc(n1N)[*:1]
COc1cccc(/C(C)=N/Nc2nnc(SCc3ccccc3Cl)n2N)c1 Clc1ccccc1[*:1] COc1cccc(c1)/C(C)=N/Nc1nnc(SC[*:1])n1N
COc1cccc(/C(C)=N/Nc2nnc(SCc3ccccc3Cl)n2N)c1 COc1cccc(c1)[*:1] CC(=NNc1nnc(SCc2ccccc2Cl)n1N)[*:1]
CCOC(=O)N1CCN(Cc2noc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)Cc1noc(n1)[*:1]
CCc1ccccc1N(C)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC Cc1cc(on1)[*:1] CCc1ccccc1N(C)S(=O)(=O)c1cc(ccc1OC)[*:1]
CCc1ccccc1N(C)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC CCc1ccccc1[*:1] COc1ccc(cc1S(=O)(=O)N(C)[*:1])-c1cc(C)no1
O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 Fc1cc(Cl)ccc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C1=NS(=O)(=O)c2ccccc21
Cc1ccc(OCCCCn2c(=O)oc(=O)c3cccc(C)c32)cc1 Cc1ccc(cc1)O[*:1] Cc1cccc2c(=O)oc(=O)n(CCCC[*:1])c12
Cc1ccc(OCCCCn2c(=O)oc(=O)c3cccc(C)c32)cc1 Cc1ccc(cc1)[*:1] Cc1cccc2c(=O)oc(=O)n(CCCCO[*:1])c12
CC(C)(C)c1nnc(NC(=O)c2ccc(-n3cccc3)nc2)s1 c1ccn(c1)[*:1] CC(C)(C)c1nnc(NC(=O)c2ccc(nc2)[*:1])s1
CC(C)(C)c1nnc(NC(=O)c2ccc(-n3cccc3)nc2)s1 CC(C)(C)[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(nc1)-n1cccc1
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@H](Sc2ccncn2)C1 c1cc(ncn1)[*:1] CC(C)[NH2+][C@]1(CCC[C@@H](C1)S[*:1])C(=O)[O-]
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@H](Sc2ccncn2)C1 O=C([O-])[*:1] CC(C)[NH2+][C@]1(CCC[C@@H](C1)Sc1ccncn1)[*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@H](Sc2ccncn2)C1 CC(C)[*:1] O=C([O-])[C@@]1(CCC[C@@H](C1)Sc1ccncn1)[NH2+][*:1]
O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1nc(cs1)-c1cc(F)ccc1F)c1cccc(c1)[*:1]
O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccc([N+](=O)[O-])c1 Fc1ccc(F)c(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC(C)C[C@H](C[NH3+])c1nc2c([nH]1)-c1ccsc1CC2 CC(C)[*:1] [NH3+]C[C@@H](C[*:1])c1nc2CCc3sccc3-c2[nH]1
CC(C)C[C@H](C[NH3+])c1nc2c([nH]1)-c1ccsc1CC2 CC(C)C[*:1] [NH3+]C[C@H](c1nc2CCc3sccc3-c2[nH]1)[*:1]
CCCn1cc(-c2nc(NC)ccc2[N+](=O)[O-])cn1 CCC[*:1] CNc1ccc(c(n1)-c1cnn(c1)[*:1])[N+](=O)[O-]
CCCn1cc(-c2nc(NC)ccc2[N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CCCn1cc(cn1)-c1nc(ccc1[*:1])NC
Cc1cccc(/C=C/C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1 Cc1cccc(c1)[*:1] N#C[C@H](C(=O)C=C[*:1])c1nnc2CCCCCn21
Cc1nn(C)c2[nH]nc(NC(=O)c3cnn(-c4ccncc4)c3C)c12 c1cc(ccn1)[*:1] Cc1nn(C)c2[nH]nc(NC(=O)c3cnn(c3C)[*:1])c12
CC(C)CCn1c(CCCC(=O)N2CCCCCC2)nc2cccnc21 CC(C)CC[*:1] O=C(CCCc1nc2cccnc2n1[*:1])N1CCCCCC1
CC(C)CCn1c(CCCC(=O)N2CCCCCC2)nc2cccnc21 CC(C)C[*:1] O=C(CCCc1nc2cccnc2n1C[*:1])N1CCCCCC1
CC(C)CCn1c(CCCC(=O)N2CCCCCC2)nc2cccnc21 CC(C)[*:1] O=C(CCCc1nc2cccnc2n1CC[*:1])N1CCCCCC1
Nc1ccc(NC2CCCCC2)nc1OCC1CC1 C1CC1C[*:1] Nc1ccc(nc1O[*:1])NC1CCCCC1
Nc1ccc(NC2CCCCC2)nc1OCC1CC1 C1CC1CO[*:1] Nc1ccc(nc1[*:1])NC1CCCCC1
Nc1ccc(NC2CCCCC2)nc1OCC1CC1 C1CCC(CC1)[*:1] Nc1ccc(nc1OCC1CC1)N[*:1]
Nc1ccc(NC2CCCCC2)nc1OCC1CC1 C1CC1[*:1] Nc1ccc(nc1OC[*:1])NC1CCCCC1
Cc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)NC(=O)CCn1cc(cn1)[*:1]
Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H](C)c1nccs1 C[C@@H](c1nccs1)[*:1] Cc1nn(C)c(C)c1CCC(=O)N(C)[*:1]
Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H](C)c1nccs1 c1csc(n1)[*:1] Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCC(C)C)CC2)cc1C Cc1ccc(cc1C)[*:1] CC(C)CC[C@@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCC(C)C)CC2)cc1C CC(C)CC[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCC(C)C)CC2)cc1C CC(C)C[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C)C[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCC(C)C)CC2)cc1C CC(C)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C)CC[*:1]
O=C(Nc1ccc(F)cc1)Nc1cccc(-c2nc3cccnc3s2)c1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1nc2cccnc2s1)N[*:1]
Fc1ccc([C@@]2(CNc3ccc(Oc4nnn[nH]4)cc3)CCOC2)cc1 n1n[nH]c(n1)O[*:1] Fc1ccc(cc1)[C@]1(CCOC1)CNc1ccc(cc1)[*:1]
Fc1ccc([C@@]2(CNc3ccc(Oc4nnn[nH]4)cc3)CCOC2)cc1 Fc1ccc(cc1)[*:1] c1cc(ccc1NC[C@]1(CCOC1)[*:1])Oc1nnn[nH]1
CNC(=O)C[C@@H](C[NH3+])N1CCCCc2ccccc21 CNC(=O)[*:1] [NH3+]C[C@H](C[*:1])N1CCCCc2ccccc21
CNC(=O)C[C@@H](C[NH3+])N1CCCCc2ccccc21 CNC(=O)C[*:1] [NH3+]C[C@@H](N1CCCCc2ccccc21)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)/C=C/c1cc(Br)cs1 CC[C@@H](C)[*:1] O=C(/C=C/c1cc(Br)cs1)NCCC(=O)N[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)/C=C/c1cc(Br)cs1 Brc1csc(c1)[*:1] CC[C@@H](C)NC(=O)CCNC(=O)C=C[*:1]
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1OC O=[N+]([O-])[*:1] CCOc1cc(c(cc1OC)C(=O)Nc1ccc2c(c1)CCN2C(C)=O)[*:1]
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1OC CCO[*:1] COc1cc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)c(cc1[*:1])[N+](=O)[O-]
COc1ccc(-c2c(C#N)c(SCC(N)=O)nc3c2CN(C)CC3)cc1 NC(=O)[*:1] COc1ccc(cc1)-c1c(C#N)c(nc2CCN(C)Cc21)SC[*:1]
COc1ccc(-c2c(C#N)c(SCC(N)=O)nc3c2CN(C)CC3)cc1 NC(=O)CS[*:1] COc1ccc(cc1)-c1c(C#N)c(nc2CCN(C)Cc21)[*:1]
COc1ccc(-c2c(C#N)c(SCC(N)=O)nc3c2CN(C)CC3)cc1 NC(=O)C[*:1] COc1ccc(cc1)-c1c(C#N)c(nc2CCN(C)Cc21)S[*:1]
COc1ccc(-c2c(C#N)c(SCC(N)=O)nc3c2CN(C)CC3)cc1 COc1ccc(cc1)[*:1] CN1CCc2nc(SCC(N)=O)c(C#N)c(c2C1)[*:1]
Cc1cccc(C)c1C[NH2+]CCCC(C)(C)CO CC(C)(CO)[*:1] Cc1cccc(C)c1C[NH2+]CCC[*:1]
Cc1cccc(C)c1C[NH2+]CCCC(C)(C)CO CC(C)(CO)C[*:1] Cc1cccc(C)c1C[NH2+]CC[*:1]
COCCS(=O)(=O)NC[C@@H](O)c1c(Cl)cccc1Cl COCC[*:1] O=S(=O)(NC[C@@H](O)c1c(Cl)cccc1Cl)[*:1]
COCCS(=O)(=O)NC[C@@H](O)c1c(Cl)cccc1Cl COC[*:1] O=S(=O)(C[*:1])NC[C@@H](O)c1c(Cl)cccc1Cl
COC(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 O=C([O-])[*:1] COC(=O)c1ccc(cc1)N1C[C@@H](CC1=O)[*:1]
COC(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 COC(=O)[*:1] O=C([O-])[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
Cn1cc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])c1ccc(cc1)CN1C(=O)CNC1=O
Cn1cc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cn1 O=C1CNC(=O)N1[*:1] Cn1cc(cn1)NC(=O)c1ccc(cc1)C[*:1]
Nc1nc(NCCCOc2ccc(F)cc2)cc(-n2cccn2)n1 Fc1ccc(cc1)O[*:1] Nc1nc(cc(n1)-n1cccn1)NCCC[*:1]
Nc1nc(NCCCOc2ccc(F)cc2)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Nc1nc(cc(n1)[*:1])NCCCOc1ccc(F)cc1
Nc1nc(NCCCOc2ccc(F)cc2)cc(-n2cccn2)n1 Fc1ccc(cc1)[*:1] Nc1nc(cc(n1)-n1cccn1)NCCCO[*:1]
C[C@@H]1CCCN(C(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)[C@@H](C)N(S(C)(=O)=O)[*:1]
Cc1ccc([C@@]2(C[NH2+]C3CC3)CC[C@@H]2C)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@]1(CC[C@@H]1C)C[NH2+][*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(OCC)c(Cl)c2)C1 CCOC(=O)[*:1] CCOc1ccc(cc1Cl)NC(=O)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(OCC)c(Cl)c2)C1 CCO[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccccc1OC c1coc(c1)[*:1] CCCN1C(=O)c2[nH]nc(c2[C@@H]1c1ccccc1OC)[*:1]
CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccccc1OC COc1ccccc1[*:1] CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1[*:1]
CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccccc1OC CCC[*:1] COc1ccccc1[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccco1
CC[C@@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cc(C)ccc1F CC[C@@H](C)[*:1] Cc1ccc(F)c(c1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N[*:1]
CC[C@@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cc(C)ccc1F CC[C@@H](C)N[*:1] Cc1ccc(F)c(c1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1[*:1]
Cc1ccccc1N1C(=N)S/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O Cc1ccccc1[*:1] N=C1S/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)C(=O)N1[*:1]
Cc1ccccc1N1C(=N)S/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] Cc1ccccc1N1C(=N)S/C(=C\c2ccccc2OCC(=O)N[*:1])C1=O
Cc1ccccc1N1C(=N)S/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O O=C(C[*:1])Nc1ccc(F)cc1 Cc1ccccc1N1C(=N)S/C(=C\c2ccccc2O[*:1])C1=O
Cc1ccccc1N1C(=N)S/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O O=C(Nc1ccc(F)cc1)[*:1] Cc1ccccc1N1C(=N)S/C(=C\c2ccccc2OC[*:1])C1=O
CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)cc2C1 CC(C)(C)[*:1] CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc2C[C@H](CCc2s1)[*:1]
CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)cc2C1 CS(=O)(=O)NC[*:1] CC(C)(C)[C@H]1CCc2sc(cc2C1)C(=O)N1CCCC[C@H]1[*:1]
CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)cc2C1 CS(=O)(=O)N[*:1] CC(C)(C)[C@H]1CCc2sc(cc2C1)C(=O)N1CCCC[C@@H]1C[*:1]
COC(=O)c1nccc(N(CC2CC[NH2+]CC2)C2CC2)n1 C1CC1[*:1] COC(=O)c1nccc(n1)N(CC1CC[NH2+]CC1)[*:1]
COC(=O)c1nccc(N(CC2CC[NH2+]CC2)C2CC2)n1 COC(=O)[*:1] c1cc(nc(n1)[*:1])N(CC1CC[NH2+]CC1)C1CC1
CCSCC[C@H](C)N(C)C(=O)c1cc(Cl)ccc1OC CCS[*:1] COc1ccc(Cl)cc1C(=O)N(C)[C@@H](C)CC[*:1]
CCSCC[C@H](C)N(C)C(=O)c1cc(Cl)ccc1OC CCSC[*:1] COc1ccc(Cl)cc1C(=O)N(C)[C@@H](C)C[*:1]
CCSCC[C@H](C)N(C)C(=O)c1cc(Cl)ccc1OC CCSCC[*:1] COc1ccc(Cl)cc1C(=O)N(C)[C@@H](C)[*:1]
CSC1(CNC(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)CCOCC1 Cc1ccc(cc1)C[*:1] CSC1(CCOCC1)CNC(=O)N(C)[C@@H](C)[*:1]
CSC1(CNC(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)CCOCC1 Cc1ccc(cc1)[*:1] CSC1(CCOCC1)CNC(=O)N(C)[C@@H](C)C[*:1]
CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)sc1C CCOC(=O)[*:1] Cc1sc(cc1S(=O)(=O)N1CCCC[C@H]1[*:1])-c1nc(no1)-c1ccccc1
CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)sc1C c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(sc1C)-c1nc(no1)[*:1]
C#CCNC(=O)NN1[C@@H](C)CCC[C@@H]1C C#CC[*:1] C[C@H]1CCC[C@H](C)N1NC(=O)N[*:1]
CCOCCN(C)C(=O)CCc1ccccc1C CCOC[*:1] Cc1ccccc1CCC(=O)N(C)C[*:1]
CCOCCN(C)C(=O)CCc1ccccc1C CCO[*:1] Cc1ccccc1CCC(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)CCc1ccccc1C CCOCC[*:1] Cc1ccccc1CCC(=O)N(C)[*:1]
CC(C)(CNC(=O)NCc1cccs1)C(=O)[O-] c1csc(c1)[*:1] CC(C)(CNC(=O)NC[*:1])C(=O)[O-]
CC(C)(CNC(=O)NCc1cccs1)C(=O)[O-] O=C([O-])[*:1] CC(C)(CNC(=O)NCc1cccs1)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1ccc([S@@](=O)C(C)C)cc1 CC(C)[S@](=O)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(cc1)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1ccc([S@@](=O)C(C)C)cc1 CC(C)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(cc1)[S@@](=O)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1ccc([S@@](=O)C(C)C)cc1 CCC[C@@H]1C[C@H]1[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)N[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1ccc([S@@](=O)C(C)C)cc1 CCC[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)N[C@H]1C[C@H]1[*:1]
C#CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1 C#CCO[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(cc1)[*:1]
C#CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1 C#CC[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(cc1)O[*:1]
C#CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1 CC(C)C[*:1] C#CCOc1ccc(cc1)NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
C#CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1 CC(C)[*:1] C#CCOc1ccc(cc1)NC(=O)[C@H]1CCCN(C1)C(=O)NC[*:1]
COC(=O)[C@]1(N)CC[C@@H](Oc2ccc(CO)cc2)C1 COC(=O)[*:1] N[C@@]1(CC[C@H](C1)Oc1ccc(cc1)CO)[*:1]
FC(F)(F)c1cccc([C@@H]2OCC[C@@H]2C[NH2+]C2CC2)c1 C1CC1[*:1] FC(F)(F)c1cccc(c1)[C@@H]1OCC[C@@H]1C[NH2+][*:1]
FC(F)(F)c1cccc([C@@H]2OCC[C@@H]2C[NH2+]C2CC2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])[C@@H]1OCC[C@@H]1C[NH2+]C1CC1
CCn1nc(C)c([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)c1C C[S@](=O)[*:1] CCn1nc(C)c(c1C)[C@H](C)[NH2+]CC[C@@H](C)[*:1]
O=C(Cc1cccc(F)c1)NCC(=O)N1CCN(c2cccc[nH+]2)CC1 Fc1cccc(c1)C[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(Cc1cccc(F)c1)NCC(=O)N1CCN(c2cccc[nH+]2)CC1 Fc1cccc(c1)[*:1] O=C(C[*:1])NCC(=O)N1CCN(CC1)c1cccc[nH+]1
Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)C[*:1]
Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)[*:1]
C[C@@H](OCc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] C[C@@H](OCc1ccccc1)C(=O)N1CC[C@H]([C@H]1C)[*:1]
C[C@@H](OCc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C c1ccc(cc1)C[*:1] C[C@@H](O[*:1])C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C
C[C@@H](OCc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C c1ccc(cc1)[*:1] C[C@@H](OC[*:1])C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C
CC[NH+](Cc1ccc(C#CCCO)cc1F)CC(C)(C)O OCCC#C[*:1] CC[NH+](Cc1ccc(cc1F)[*:1])CC(C)(C)O
CC[NH+](Cc1ccc(C#CCCO)cc1F)CC(C)(C)O CC(C)(O)C[*:1] CC[NH+](Cc1ccc(C#CCCO)cc1F)[*:1]
CC[NH+](Cc1ccc(C#CCCO)cc1F)CC(C)(C)O OCC[*:1] CC[NH+](Cc1ccc(C#C[*:1])cc1F)CC(C)(C)O
CC[NH+](Cc1ccc(C#CCCO)cc1F)CC(C)(C)O CC(C)(O)[*:1] CC[NH+](Cc1ccc(C#CCCO)cc1F)C[*:1]
C#CCN1CCN(CC(=O)NCC2(c3ccccc3)CCCC2)CC1 c1ccc(cc1)[*:1] C#CCN1CCN(CC1)CC(=O)NCC1(CCCC1)[*:1]
C#CCN1CCN(CC(=O)NCC2(c3ccccc3)CCCC2)CC1 C#CC[*:1] O=C(CN1CCN(CC1)[*:1])NCC1(CCCC1)c1ccccc1
CCC[C@]1(Cc2c(Cl)c(C)nn2C)CCCCC[NH2+]1 CCC[*:1] Cc1nn(C)c(C[C@@]2(CCCCC[NH2+]2)[*:1])c1Cl
N/C(=N\O)[C@H](CSc1ccncc1)c1ccccc1 c1cc(ccn1)[*:1] N/C(=N\O)[C@H](CS[*:1])c1ccccc1
N/C(=N\O)[C@H](CSc1ccncc1)c1ccccc1 N/C(=N\O)[*:1] c1ccc(cc1)[C@@H](CSc1ccncc1)[*:1]
N/C(=N\O)[C@H](CSc1ccncc1)c1ccccc1 c1ccc(cc1)[*:1] N/C(=N\O)[C@H](CSc1ccncc1)[*:1]
C[C@H]1C[C@H](NC(=O)CCCC(=O)N(C)C)C(=O)N1c1ccccc1 CN(C)C(=O)C[*:1] C[C@H]1C[C@H](NC(=O)CC[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@H](NC(=O)CCCC(=O)N(C)C)C(=O)N1c1ccccc1 CN(C)C(=O)[*:1] C[C@H]1C[C@H](NC(=O)CCC[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@H](NC(=O)CCCC(=O)N(C)C)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](NC(=O)CCCC(=O)N(C)C)C(=O)N1[*:1]
C[C@H]1C[C@H](NC(=O)CCCC(=O)N(C)C)C(=O)N1c1ccccc1 CN(C)C(=O)CC[*:1] C[C@H]1C[C@H](NC(=O)C[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@H](NC(=O)CCCC(=O)N(C)C)C(=O)N1c1ccccc1 CN(C)C(=O)CCC[*:1] C[C@H]1C[C@H](NC(=O)[*:1])C(=O)N1c1ccccc1
c1coc(-c2n[nH]c(C[NH2+]Cc3c[nH]cn3)n2)c1 c1nc(c[nH]1)[*:1] c1coc(c1)-c1n[nH]c(C[NH2+]C[*:1])n1
c1coc(-c2n[nH]c(C[NH2+]Cc3c[nH]cn3)n2)c1 c1nc(c[nH]1)C[*:1] c1coc(c1)-c1n[nH]c(C[NH2+][*:1])n1
c1coc(-c2n[nH]c(C[NH2+]Cc3c[nH]cn3)n2)c1 c1coc(c1)[*:1] c1nc(c[nH]1)C[NH2+]Cc1nc(n[nH]1)[*:1]
N#Cc1ccc(N2CCC(Nc3ccccc3[N+](=O)[O-])CC2)nc1 N#Cc1ccc(nc1)[*:1] O=[N+]([O-])c1ccccc1NC1CCN(CC1)[*:1]
N#Cc1ccc(N2CCC(Nc3ccccc3[N+](=O)[O-])CC2)nc1 O=[N+]([O-])[*:1] N#Cc1ccc(nc1)N1CCC(CC1)Nc1ccccc1[*:1]
Cc1cc(Cc2cnc(NC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)s2)ccc1Br Cc1cc(ccc1Br)C[*:1] O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ncc(s1)[*:1]
Cc1cc(Cc2cnc(NC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)s2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ncc(C[*:1])s1
CC(=O)Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(Cl)cc3)nn21 Clc1ccc(cc1)[*:1] CC(=O)Nc1ccc2c(c1)nc1c3ccccc3c(nn21)[*:1]
CC(=O)Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(Cl)cc3)nn21 CC(=O)N[*:1] Clc1ccc(cc1)-c1nn2c3ccc(cc3nc2c2ccccc12)[*:1]
CCc1c(-c2ccncc2)n[nH]c1NC(=O)Cc1cc(F)ccc1F c1cc(ccn1)[*:1] CCc1c(n[nH]c1NC(=O)Cc1cc(F)ccc1F)[*:1]
CCc1c(-c2ccncc2)n[nH]c1NC(=O)Cc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CCc1c(n[nH]c1NC(=O)C[*:1])-c1ccncc1
COc1cccc(-n2c(S)nnc2CSCc2ccc(F)cc2Cl)c1 COc1cccc(c1)[*:1] Fc1ccc(CSCc2nnc(S)n2[*:1])c(Cl)c1
COc1cccc(-n2c(S)nnc2CSCc2ccc(F)cc2Cl)c1 Fc1ccc(c(Cl)c1)[*:1] COc1cccc(c1)-n1c(S)nnc1CSC[*:1]
[O-]c1nc(-c2ccccn2)nc2ccc(Br)cc12 c1ccc(nc1)[*:1] [O-]c1nc(nc2ccc(Br)cc12)[*:1]
Cn1ncc2c(=O)n(CC(=O)NNC(=O)c3cc(Cl)ccc3Cl)cnc21 Clc1ccc(Cl)c(c1)[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)NNC(=O)[*:1]
Cc1ccc([C@H](CNS(=O)(=O)c2c(C)noc2C)[NH+]2CCCC2)cc1 Cc1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1ccc([C@H](CNS(=O)(=O)c2c(C)noc2C)[NH+]2CCCC2)cc1 Cc1noc(C)c1[*:1] Cc1ccc(cc1)[C@H](CNS(=O)(=O)[*:1])[NH+]1CCCC1
C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(c1)[*:1]
C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(c1)O[*:1]
O=C1N=N[C@@H](SCC(=O)N2CCN(c3ccc(F)cc3)CC2)N2NC(c3ccc(F)cc3)=C[C@H]12 Fc1ccc(cc1)[*:1] O=C1N=N[C@@H](SCC(=O)N2CCN(CC2)c2ccc(F)cc2)N2NC(=C[C@H]12)[*:1]
O=C1N=N[C@@H](SCC(=O)N2CCN(c3ccc(F)cc3)CC2)N2NC(c3ccc(F)cc3)=C[C@H]12 Fc1ccc(cc1)[*:1] O=C1N=N[C@@H](SCC(=O)N2CCN(CC2)[*:1])N2NC(=C[C@H]12)c1ccc(F)cc1
Cc1nc(-c2cccc(NC(=O)N[C@@H](C)Cn3cc[nH+]c3)c2)oc1C Cc1nc(oc1C)[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(c1)[*:1]
COc1cc(Br)cc(/C=C/CO)c1O OCC=C[*:1] COc1cc(Br)cc(c1O)[*:1]
COc1cc(CCNC(=O)CCc2ccccc2O)ccc1C Oc1ccccc1[*:1] COc1cc(ccc1C)CCNC(=O)CC[*:1]
O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H](CO)c1ccco1 FC(F)(F)[*:1] O=C(Cc1ccc(cc1)[*:1])N[C@@H](CO)c1ccco1
O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(Cc1ccc(cc1)C(F)(F)F)N[C@@H](CO)[*:1]
CC(C)(C)C[C@@H](CO)NC(=O)c1c(F)cc(C#N)cc1F CC(C)(C)C[*:1] N#Cc1cc(F)c(C(=O)N[C@H](CO)[*:1])c(F)c1
CC(C)(C)C[C@@H](CO)NC(=O)c1c(F)cc(C#N)cc1F CC(C)(C)[*:1] N#Cc1cc(F)c(C(=O)N[C@H](CO)C[*:1])c(F)c1
COc1ccc(O[C@@H](C)C(=O)NC2CCCC2)c(C[NH3+])c1 C1CCC(C1)[*:1] COc1ccc(O[C@@H](C)C(=O)N[*:1])c(c1)C[NH3+]
CC/C(=C\c1cccc(F)c1)C[NH2+]C(C)(C)C CC(C)(C)[*:1] CC/C(=C\c1cccc(F)c1)C[NH2+][*:1]
CC(C)CCCCNC(=O)C(=O)Nc1cccnc1Br CC(C)CCC[*:1] O=C(NC[*:1])C(=O)Nc1cccnc1Br
CC(C)CCCCNC(=O)C(=O)Nc1cccnc1Br CC(C)[*:1] O=C(NCCCC[*:1])C(=O)Nc1cccnc1Br
CC(C)CCCCNC(=O)C(=O)Nc1cccnc1Br CC(C)C[*:1] O=C(NCCC[*:1])C(=O)Nc1cccnc1Br
CC(C)CCCCNC(=O)C(=O)Nc1cccnc1Br CC(C)CC[*:1] O=C(NCC[*:1])C(=O)Nc1cccnc1Br
O[C@H](c1ccc(Cl)s1)[C@@H]1CCCc2cccnc21 Clc1ccc(s1)[*:1] O[C@H]([C@@H]1CCCc2cccnc21)[*:1]
CCOc1ccc(Cl)c(C(=O)O[C@@H](C)[C@H]2CCCO2)n1 C1CO[C@H](C1)[*:1] CCOc1ccc(Cl)c(n1)C(=O)O[C@@H](C)[*:1]
CCOc1ccc(Cl)c(C(=O)O[C@@H](C)[C@H]2CCCO2)n1 CCO[*:1] C[C@H](OC(=O)c1nc(ccc1Cl)[*:1])[C@H]1CCCO1
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 Cc1cc(C)cc(c1)[*:1] Cc1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 Cc1cccc(c1)[*:1] Cc1cc(C)cc(c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O c1ccc(cc1)[*:1] C[C@@H](C1CC1)N(C[*:1])C(=O)c1ccc2C(=O)N(C)C(=O)c2c1
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O c1ccc(cc1)C[*:1] C[C@@H](C1CC1)N(C(=O)c1ccc2C(=O)N(C)C(=O)c2c1)[*:1]
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O C1CC1[*:1] C[C@@H](N(Cc1ccccc1)C(=O)c1ccc2C(=O)N(C)C(=O)c2c1)[*:1]
O=C(CN1CCN(c2ncccn2)CC1)NC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)c1ncccn1)NC1(CCC1)[*:1]
O=C(CN1CCN(c2ncccn2)CC1)NC1(c2ccccc2)CCC1 c1cnc(nc1)[*:1] O=C(CN1CCN(CC1)[*:1])NC1(CCC1)c1ccccc1
CC[C@@H](C)C(=O)Nc1nc(-c2ccc3c(c2)CCN3S(C)(=O)=O)c(C)s1 CC[C@@H](C)C(=O)N[*:1] Cc1sc(nc1-c1ccc2c(c1)CCN2S(C)(=O)=O)[*:1]
CC[C@@H](C)C(=O)Nc1nc(-c2ccc3c(c2)CCN3S(C)(=O)=O)c(C)s1 CC[C@@H](C)[*:1] Cc1sc(nc1-c1ccc2c(c1)CCN2S(C)(=O)=O)NC(=O)[*:1]
O=C1O[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)Cc2ccccc21 c1ccc2sc(nc2c1)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)N1CCC[C@H]1[*:1]
COc1cccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1 C1CCCC(CC1)[*:1] COc1cccc(c1)CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)N[*:1])-c1ccco1
COc1cccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1 COc1cccc(c1)C[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1[*:1])-c1ccco1)C(=O)NC1CCCCCC1
COc1cccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1 O=C(NC1CCCCCC1)[*:1] COc1cccc(c1)CN1C(=O)c2cc(nn2C[C@@]1(C)[*:1])-c1ccco1
COc1cccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1 COc1cccc(c1)[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1C[*:1])-c1ccco1)C(=O)NC1CCCCCC1
COc1cccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1 c1coc(c1)[*:1] COc1cccc(c1)CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)NC1CCCCCC1)[*:1]
c1ccc2oc(NC[C@H]3CCCO3)nc2c1 C1CO[C@H](C1)[*:1] c1ccc2oc(nc2c1)NC[*:1]
C[C@H](CCc1ccccc1F)C(=O)N1CCC(n2cncn2)CC1 Fc1ccccc1C[*:1] C[C@H](C[*:1])C(=O)N1CCC(CC1)n1cncn1
C[C@H](CCc1ccccc1F)C(=O)N1CCC(n2cncn2)CC1 Fc1ccccc1[*:1] C[C@H](CC[*:1])C(=O)N1CCC(CC1)n1cncn1
C[C@H](CCc1ccccc1F)C(=O)N1CCC(n2cncn2)CC1 c1ncn(n1)[*:1] C[C@H](CCc1ccccc1F)C(=O)N1CCC(CC1)[*:1]
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)C1(C)C CC(C)=C[*:1] CC1(C)[C@H](C(=O)Nc2cc3OCC(=O)Nc3cc2Cl)[C@H]1[*:1]
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccco1
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl c1coc(c1)[*:1] Cc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl O=C(N[*:1])c1ccco1 Cc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)[*:1]
C=CC[NH+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])o1 O=C([O-])[*:1] C=CC[NH+](Cc1ccc(o1)[N+](=O)[O-])C[*:1]
C=CC[NH+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] C=CC[NH+](CC(=O)[O-])Cc1ccc(o1)[*:1]
C=CC[NH+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])o1 C=CC[*:1] O=C([O-])C[NH+](Cc1ccc(o1)[N+](=O)[O-])[*:1]
Cc1ccccc1OCC#CCNC(=O)Nc1ccc2c(c1)OCO2 Cc1ccccc1O[*:1] O=C(NCC#CC[*:1])Nc1ccc2OCOc2c1
Cc1ccccc1OCC#CCNC(=O)Nc1ccc2c(c1)OCO2 Cc1ccccc1[*:1] O=C(NCC#CCO[*:1])Nc1ccc2OCOc2c1
COc1cc(C(C)=O)ccc1OC(=O)c1ccc(CSC)cc1 CSC[*:1] COc1cc(ccc1OC(=O)c1ccc(cc1)[*:1])C(C)=O
COc1cc(C(C)=O)ccc1OC(=O)c1ccc(CSC)cc1 CC(=O)[*:1] COc1cc(ccc1OC(=O)c1ccc(cc1)CSC)[*:1]
C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCS2)C1 C1CS[C@@H](C1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)[*:1]
Cc1cc(C)n(-c2ccccc2NCc2cnc3c(cnn3C(C)C)c2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1ccccc1NCc1cnc2c(cnn2[*:1])c1
Cc1cc(C)n(-c2ccccc2NCc2cnc3c(cnn3C(C)C)c2)n1 Cc1cc(C)n(n1)[*:1] CC(C)n1ncc2cc(cnc21)CNc1ccccc1[*:1]
Cc1ccc(NC(=S)N/N=C2\CCCCc3ccccc32)cc1 Cc1ccc(cc1)[*:1] S=C(N/N=C1\CCCCc2ccccc21)N[*:1]
COc1ccc([C@H]2CCCN2C(=O)N[C@@H]2CC(=O)N(C)C2)cc1 CN1C[C@@H](CC1=O)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)N[*:1]
CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 O=C(c1ccc(Cl)cc1)[*:1] CCS(=O)(=O)N(C)C1CCN(CC1)C(=O)c1ccccc1[*:1]
CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCS(=O)(=O)N(C)C1CCN(CC1)C(=O)c1ccccc1C(=O)[*:1]
CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 CCS(=O)(=O)N(C)[*:1] O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCC(CC1)[*:1]
O=C(CSc1n[nH]c(N/N=C/c2ccccc2Cl)n1)N[C@H]1CCCc2ccccc21 Clc1ccccc1[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])N[C@H]1CCCc2ccccc21
O=C(CSc1n[nH]c(N/N=C/c2ccccc2Cl)n1)N[C@H]1CCCc2ccccc21 c1ccc2c(c1)CCC[C@@H]2[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1ccccc1Cl)N[*:1]
O=C(CSc1n[nH]c(N/N=C/c2ccccc2Cl)n1)N[C@H]1CCCc2ccccc21 Clc1ccccc1/C=N/N[*:1] O=C(CSc1n[nH]c(n1)[*:1])N[C@H]1CCCc2ccccc21
Cc1cccc2nc(CSc3nc(-c4ccccc4Br)n[nH]3)cn12 Brc1ccccc1[*:1] Cc1cccc2nc(cn12)CSc1nc(n[nH]1)[*:1]
O=S(=O)(N[C@H]1COc2ccccc2C1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=S(=O)(N[C@H]1COc2ccccc2C1)[*:1]
CN(CCN1CCCC1=O)Cc1cc(Cl)ccc1Br O=C1CCCN1[*:1] CN(CC[*:1])Cc1cc(Cl)ccc1Br
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2[nH]ccc2c1)[*:1]
CCC(=O)Nc1ccccc1SCc1cc(=O)n2nc(C)sc2n1 CCC(=O)N[*:1] Cc1nn2c(=O)cc(CSc3ccccc3[*:1])nc2s1
CCN(C(=O)NCCNC(=O)c1ccccc1Cl)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCN(C(=O)NCCNC(=O)c1ccccc1Cl)[*:1]
CCN(C(=O)NCCNC(=O)c1ccccc1Cl)[C@@H](C)C(C)C CC(C)[*:1] CCN(C(=O)NCCNC(=O)c1ccccc1Cl)[C@@H](C)[*:1]
CCN(C(=O)NCCNC(=O)c1ccccc1Cl)[C@@H](C)C(C)C Clc1ccccc1[*:1] CCN(C(=O)NCCNC(=O)[*:1])[C@@H](C)C(C)C
CCCCN(C)C(=O)Cn1cc(Br)ccc1=O CCCC[*:1] CN(C(=O)Cn1cc(Br)ccc1=O)[*:1]
CCCCN(C)C(=O)Cn1cc(Br)ccc1=O CCC[*:1] CN(C[*:1])C(=O)Cn1cc(Br)ccc1=O
CC[C@H](C(=O)[O-])[C@@H]1CCOC2(CCOCC2)C1 O=C([O-])[*:1] CC[C@H]([C@@H]1CCOC2(CCOCC2)C1)[*:1]
CC[NH+](CCCC#N)Cc1cccc(Cl)c1 N#CC[*:1] CC[NH+](CC[*:1])Cc1cccc(Cl)c1
CC[NH+](CCCC#N)Cc1cccc(Cl)c1 N#CCCC[*:1] CC[NH+](Cc1cccc(Cl)c1)[*:1]
CC[NH+](CCCC#N)Cc1cccc(Cl)c1 N#CCC[*:1] CC[NH+](Cc1cccc(Cl)c1)C[*:1]
Fc1ccc(-c2noc(CSCC3CCOCC3)n2)cc1 C1CC(CCO1)[*:1] Fc1ccc(cc1)-c1noc(CSC[*:1])n1
Fc1ccc(-c2noc(CSCC3CCOCC3)n2)cc1 C1CC(CCO1)C[*:1] Fc1ccc(cc1)-c1noc(CS[*:1])n1
Fc1ccc(-c2noc(CSCC3CCOCC3)n2)cc1 Fc1ccc(cc1)[*:1] C1CC(CCO1)CSCc1nc(no1)[*:1]
C[C@@H](C(=O)N(C)CC(=O)N[C@H](C)c1ccccc1C(F)(F)F)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N(C)CC(=O)N[C@H](C)c1ccccc1C(F)(F)F)[*:1]
C[C@@H](C(=O)N(C)CC(=O)N[C@H](C)c1ccccc1C(F)(F)F)n1cccn1 FC(F)(F)[*:1] C[C@@H](C(=O)N(C)CC(=O)N[C@H](C)c1ccccc1[*:1])n1cccn1
CC[C@@H](C)[C@@](C)(CC)C[NH2+]C1CC1 CC[C@@H](C)[*:1] CC[C@](C)(C[NH2+]C1CC1)[*:1]
CC[C@@H](C)[C@@](C)(CC)C[NH2+]C1CC1 C1CC1[*:1] CC[C@@H](C)[C@@](C)(CC)C[NH2+][*:1]
CC1(C)CN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CCS1 C1C[C@@H](CO1)O[*:1] CC1(C)CN(CCS1)C(=O)Nc1ccc(cc1)[*:1]
CC1(C)CN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CCS1 C1C[C@@H](CO1)[*:1] CC1(C)CN(CCS1)C(=O)Nc1ccc(cc1)O[*:1]
CC[C@H](C)[C@@H](C)NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 CC[C@H](C)[*:1] C[C@@H](NC(=O)CCC(=O)c1ccc2OCCOc2c1)[*:1]
Cc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)N1CCNC1=O O=C1NCCN1C(=O)[*:1] Cc1ccc(cc1NC[*:1])C(=O)Nc1ccccc1
Cc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)N1CCNC1=O c1ccc(cc1)[*:1] Cc1ccc(cc1NCC(=O)N1CCNC1=O)C(=O)N[*:1]
Cc1ccc(C[NH+](C)CC(=O)NCc2ccc(C)c(F)c2)o1 Cc1ccc(C[*:1])o1 Cc1ccc(cc1F)CNC(=O)C[NH+](C)[*:1]
Cc1ccc(C[NH+](C)CC(=O)NCc2ccc(C)c(F)c2)o1 Cc1ccc(o1)[*:1] Cc1ccc(cc1F)CNC(=O)C[NH+](C)C[*:1]
CCCCCNC(=O)c1cc(=O)[nH]c2ccccc12 CCCCC[*:1] O=C(N[*:1])c1cc(=O)[nH]c2ccccc12
CCCCCNC(=O)c1cc(=O)[nH]c2ccccc12 CCC[*:1] O=C(NCC[*:1])c1cc(=O)[nH]c2ccccc12
CCCCCNC(=O)c1cc(=O)[nH]c2ccccc12 CCCC[*:1] O=C(NC[*:1])c1cc(=O)[nH]c2ccccc12
COc1cc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=O)N(C)C2=O)ccc1O COc1cc(ccc1O)C[*:1] CN1C(=O)N(C)C(=O)C(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)(C1=O)[*:1]
COc1cc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=O)N(C)C2=O)ccc1O COc1cc(ccc1O)[*:1] CN1C(=O)N(C)C(=O)C(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)(C[*:1])C1=O
O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1ccccc1Br Brc1ccccc1[*:1] O=C(NC(=S)Nc1cccc2cc(O)ccc12)[*:1]
Cc1ccc2c(c1)[C@]1(N[C@@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 O=C([O-])[*:1] Cc1ccc2NC(=O)[C@@]3(N[C@@H](CC[*:1])[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)c2c1
Cc1ccc2c(c1)[C@]1(N[C@@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 c1ccc(cc1)C[*:1] Cc1ccc2NC(=O)[C@@]3(N[C@@H](CCC(=O)[O-])[C@H]4C(=O)N(C(=O)[C@H]43)[*:1])c2c1
Cc1ccc2c(c1)[C@]1(N[C@@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 c1ccc(cc1)[*:1] Cc1ccc2NC(=O)[C@@]3(N[C@@H](CCC(=O)[O-])[C@H]4C(=O)N(C[*:1])C(=O)[C@H]43)c2c1
Cc1ccc2c(c1)[C@]1(N[C@@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 O=C([O-])C[*:1] Cc1ccc2NC(=O)[C@@]3(N[C@@H](C[*:1])[C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)c2c1
C[C@@H](NC(=O)NCc1ccccn1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@@H](NC(=O)NCc1ccccn1)c1cccc(c1)O[*:1]
C[C@@H](NC(=O)NCc1ccccn1)c1cccc(OC(F)F)c1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)NC[*:1])c1cccc(c1)OC(F)F
C[C@@H](NC(=O)NCc1ccccn1)c1cccc(OC(F)F)c1 c1ccc(C[*:1])nc1 C[C@@H](NC(=O)N[*:1])c1cccc(c1)OC(F)F
C[C@@H](NC(=O)NCc1ccccn1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@@H](NC(=O)NCc1ccccn1)c1cccc(c1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)c1ccc([S@@](C)=O)cc1 C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)[S@@](C)=O
CCN(C[C@H]1CCOC1)C(=O)c1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] CCN(C[C@H]1CCOC1)C(=O)c1ccc(cc1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)c1ccc([S@@](C)=O)cc1 C1C[C@@H](CO1)C[*:1] CCN(C(=O)c1ccc(cc1)[S@@](C)=O)[*:1]
CC(C)C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)c1ccccc1 NC(=O)[*:1] CC(C)C[C@@H](NC(=O)c1cc(cn1C)[*:1])c1ccccc1
CC(C)C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)c1ccccc1 CC(C)C[*:1] Cn1cc(cc1C(=O)N[C@@H](c1ccccc1)[*:1])C(N)=O
CC(C)C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)c1ccccc1 CC(C)[*:1] Cn1cc(cc1C(=O)N[C@H](C[*:1])c1ccccc1)C(N)=O
CC(C)C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@@H](NC(=O)c1cc(cn1C)C(N)=O)[*:1]
C[C@H](SCc1csc(-c2ccc(F)cc2)n1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](SCc1csc(n1)-c1ccc(F)cc1)C(=O)N[*:1]
C[C@H](SCc1csc(-c2ccc(F)cc2)n1)C(=O)NC(C)(C)C Fc1ccc(cc1)[*:1] C[C@H](SCc1csc(n1)[*:1])C(=O)NC(C)(C)C
C[C@H](SCc1csc(-c2ccc(F)cc2)n1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](SCc1csc(n1)-c1ccc(F)cc1)[*:1]
Cc1csc(CN(C)C(=O)c2cccc(F)c2Cl)n1 Cc1csc(n1)[*:1] CN(C[*:1])C(=O)c1cccc(F)c1Cl
CCOC(=O)c1cnc(NCCN2CCOCC2)[nH]c1=O CCOC(=O)[*:1] O=c1[nH]c(ncc1[*:1])NCCN1CCOCC1
CCOC(=O)c1cnc(NCCN2CCOCC2)[nH]c1=O C1CN(CCO1)C[*:1] CCOC(=O)c1cnc(NC[*:1])[nH]c1=O
CCOC(=O)c1cnc(NCCN2CCOCC2)[nH]c1=O C1CN(CCO1)[*:1] CCOC(=O)c1cnc(NCC[*:1])[nH]c1=O
Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccc(N(C)C)cc1 CN(C)c1ccc(cc1)[*:1] Cc1cc(I)ccc1NC(=O)CCC(=O)NN=C[*:1]
Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccc(N(C)C)cc1 CN(C)[*:1] Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccc(cc1)[*:1]
Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccc(N(C)C)cc1 Cc1cc(I)ccc1[*:1] CN(C)c1ccc(/C=N/NC(=O)CCC(=O)N[*:1])cc1
CCN(C1CCCCC1)S(=O)(=O)c1cc(N)ccc1F C1CCC(CC1)[*:1] CCN(S(=O)(=O)c1cc(N)ccc1F)[*:1]
CC(C)CN(C(=O)c1cnc(NN)c(Cl)c1)C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(C(=O)c1cnc(NN)c(Cl)c1)[*:1]
CC(C)CN(C(=O)c1cnc(NN)c(Cl)c1)C1CCCC1 CC(C)C[*:1] NNc1ncc(cc1Cl)C(=O)N(C1CCCC1)[*:1]
CC(C)CN(C(=O)c1cnc(NN)c(Cl)c1)C1CCCC1 CC(C)[*:1] NNc1ncc(cc1Cl)C(=O)N(C[*:1])C1CCCC1
COc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccc(F)cc2F)cn1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cn1)NC(=O)C(=O)NC[C@H](C)[*:1]
COc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccc(F)cc2F)cn1 COc1ccc(cn1)[*:1] C[C@@H](CNC(=O)C(=O)N[*:1])c1ccc(F)cc1F
O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc2c(c1)OCO2 O=[N+]([O-])[*:1] O=C(CSc1nc2cc(ccc2[nH]1)[*:1])Nc1ccc2OCOc2c1
O=C(CCOCc1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 c1ccc(cc1)COC[*:1] O=C(C[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
O=C(CCOCc1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 c1ccc(cc1)[*:1] O=C(CCOC[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
O=C(CCOCc1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CCOCc1ccccc1)N1CC=C(CC1)[*:1]
O=C(CCOCc1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 c1ccc(cc1)C[*:1] O=C(CCO[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
O=C(CCOCc1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 c1ccc(cc1)CO[*:1] O=C(CC[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
CC(C)NC(=O)C[C@@H](C#N)NCC(F)(F)F FC(F)(F)[*:1] CC(C)NC(=O)C[C@@H](C#N)NC[*:1]
CC(C)NC(=O)C[C@@H](C#N)NCC(F)(F)F CC(C)[*:1] N#C[C@H](CC(=O)N[*:1])NCC(F)(F)F
CC(C)NC(=O)C[C@@H](C#N)NCC(F)(F)F FC(F)(F)C[*:1] CC(C)NC(=O)C[C@@H](C#N)N[*:1]
CN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)[*:1])c1ccccc1
CN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)c1ccccc1)[*:1]
N/C(N[C@H]1CCOc2ccccc21)=[NH+]\Cc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] N/C(N[C@H]1CCOc2ccccc21)=[NH+]\Cc1ccc(cc1)C[*:1]
N/C(N[C@H]1CCOc2ccccc21)=[NH+]\Cc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 N/C(N[C@H]1CCOc2ccccc21)=[NH+]\Cc1ccc(cc1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N[C@H]1CC(=O)N(C1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)N[C@H]1CC(=O)N(C1)C(C)(C)C)[*:1]
C[NH+](C)CCNc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[NH+](C)CCNc1ccc(cc1)[*:1]
C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(SC(F)F)cc1 C[C@@H]1CCCC[C@@H]1[*:1] FC(F)Sc1ccc(cc1)NC(=S)N[*:1]
C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(cc1)[*:1]
C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(cc1)S[*:1]
Cc1csc(/C(C#N)=C/c2ccc(-c3ccc(F)cc3)s2)n1 Cc1csc(n1)[*:1] N#CC(=Cc1ccc(s1)-c1ccc(F)cc1)[*:1]
Cc1csc(/C(C#N)=C/c2ccc(-c3ccc(F)cc3)s2)n1 Fc1ccc(cc1)[*:1] Cc1csc(n1)/C(C#N)=C/c1ccc(s1)[*:1]
COc1ccc(Cl)cc1CN1C(=O)N[C@@H](CCc2ccccc2)C1=O c1ccc(cc1)[*:1] COc1ccc(Cl)cc1CN1C(=O)N[C@@H](CC[*:1])C1=O
COc1ccc(Cl)cc1CN1C(=O)N[C@@H](CCc2ccccc2)C1=O c1ccc(cc1)CC[*:1] COc1ccc(Cl)cc1CN1C(=O)N[C@@H](C1=O)[*:1]
COc1ccc(Cl)cc1CN1C(=O)N[C@@H](CCc2ccccc2)C1=O c1ccc(cc1)C[*:1] COc1ccc(Cl)cc1CN1C(=O)N[C@@H](C[*:1])C1=O
Cc1ccc(CN(C)C(=O)[C@@H](C)Sc2nncn2C)o1 Cn1cnnc1[*:1] Cc1ccc(CN(C)C(=O)[C@@H](C)S[*:1])o1
Cc1ccc(CN(C)C(=O)[C@@H](C)Sc2nncn2C)o1 Cc1ccc(o1)[*:1] C[C@@H](Sc1nncn1C)C(=O)N(C)C[*:1]
C[C@@H]1CCCN(c2nc(N3CC[NH+](C)CC3)nc(N)c2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@@H]1CCCN(C1)c1nc(nc(N)c1[*:1])N1CC[NH+](C)CC1
C[C@@H]1CCCN(c2nc(N3CC[NH+](C)CC3)nc(N)c2[N+](=O)[O-])C1 C[C@@H]1CCCN(C1)[*:1] C[NH+]1CCN(CC1)c1nc(N)c(c(n1)[*:1])[N+](=O)[O-]
CC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@@H]1CCCC[C@H]1C(=O)O[*:1]
CC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)[C@@H]1CCCC[C@@H]1[*:1]
C=CC[C@H](O)/C=C/c1ccccc1 C=CC[*:1] O[C@H](/C=C/c1ccccc1)[*:1]
C[NH+](C)CC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[NH+](C)CC[C@H](NC(=O)/C=C/c1ccccc1Cl)[*:1]
C[NH+](C)CC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(Cl)cc1 Clc1ccccc1[*:1] C[NH+](C)CC[C@H](NC(=O)C=C[*:1])c1ccc(Cl)cc1
CCCn1cc[nH+]c1[C@H](O)C1(N2CCOCC2)CCCC1 CCC[*:1] O[C@@H](c1[nH+]ccn1[*:1])C1(CCCC1)N1CCOCC1
CCCn1cc[nH+]c1[C@H](O)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] CCCn1cc[nH+]c1[C@H](O)C1(CCCC1)[*:1]
COC[C@H](C)[NH+]1CCN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC1 COC[*:1] C[C@H]([NH+]1CCN(CC1)C(=O)c1ccc(Cn2ccccc2=O)o1)[*:1]
COC[C@H](C)[NH+]1CCN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC1 O=c1ccccn1[*:1] COC[C@H](C)[NH+]1CCN(CC1)C(=O)c1ccc(C[*:1])o1
COC[C@H](C)[NH+]1CCN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC1 O=c1ccccn1C[*:1] COC[C@H](C)[NH+]1CCN(CC1)C(=O)c1ccc(o1)[*:1]
Cc1ccc2c(c1)[C@@H]([NH2+]CCn1cnnc1C1CC1)CCCO2 C1CC1[*:1] Cc1ccc2OCCC[C@H]([NH2+]CCn3cnnc3[*:1])c2c1
CC(C)CCO[C@H]1CCN(C(=O)c2cccc(C[S@](C)=O)c2)C1 CC(C)CCO[*:1] C[S@](=O)Cc1cccc(c1)C(=O)N1CC[C@@H](C1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2cccc(C[S@](C)=O)c2)C1 CC(C)[*:1] C[S@](=O)Cc1cccc(c1)C(=O)N1CC[C@@H](C1)OCC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2cccc(C[S@](C)=O)c2)C1 C[S@](=O)C[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2cccc(C[S@](C)=O)c2)C1 CC(C)C[*:1] C[S@](=O)Cc1cccc(c1)C(=O)N1CC[C@@H](C1)OC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2cccc(C[S@](C)=O)c2)C1 CC(C)CC[*:1] C[S@](=O)Cc1cccc(c1)C(=O)N1CC[C@@H](C1)O[*:1]
COC(=O)Cc1ccc(NC(=O)/C=C/c2cc(Cl)ccc2OC)cc1 COC(=O)C[*:1] COc1ccc(Cl)cc1/C=C/C(=O)Nc1ccc(cc1)[*:1]
COC(=O)Cc1ccc(NC(=O)/C=C/c2cc(Cl)ccc2OC)cc1 COC(=O)[*:1] COc1ccc(Cl)cc1/C=C/C(=O)Nc1ccc(cc1)C[*:1]
C#CCN(CN1CCSC1=S)[C@@H]1CCc2ccccc21 C#CC[*:1] S=C1SCCN1CN([C@@H]1CCc2ccccc21)[*:1]
C#CCN(CN1CCSC1=S)[C@@H]1CCc2ccccc21 S=C1SCCN1[*:1] C#CCN(C[*:1])[C@@H]1CCc2ccccc21
NC(=O)CCN(C(=O)CCC1CCCCC1)c1ccccc1 NC(=O)[*:1] O=C(CCC1CCCCC1)N(CC[*:1])c1ccccc1
NC(=O)CCN(C(=O)CCC1CCCCC1)c1ccccc1 NC(=O)CC[*:1] O=C(CCC1CCCCC1)N(c1ccccc1)[*:1]
NC(=O)CCN(C(=O)CCC1CCCCC1)c1ccccc1 C1CCC(CC1)[*:1] NC(=O)CCN(C(=O)CC[*:1])c1ccccc1
NC(=O)CCN(C(=O)CCC1CCCCC1)c1ccccc1 NC(=O)C[*:1] O=C(CCC1CCCCC1)N(C[*:1])c1ccccc1
NC(=O)CCN(C(=O)CCC1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)CCN(C(=O)CCC1CCCCC1)[*:1]
NC(=O)CCN(C(=O)CCC1CCCCC1)c1ccccc1 C1CCC(CC1)C[*:1] NC(=O)CCN(C(=O)C[*:1])c1ccccc1
CC(=O)Nc1c(C)cc(NS(=O)(=O)c2cccc(Cl)c2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NS(=O)(=O)c1cccc(Cl)c1
CC(=O)Nc1c(C)cc(NS(=O)(=O)c2cccc(Cl)c2)cc1C Clc1cccc(c1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NS(=O)(=O)[*:1]
C[NH2+][C@@H](Cc1nc(C(C)(C)C)cs1)[C@H]1C[NH+]2CCN1CC2 CC(C)(C)[*:1] C[NH2+][C@@H](Cc1nc(cs1)[*:1])[C@H]1C[NH+]2CCN1CC2
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1[C@H]1CCS(=O)(=O)C1
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]2CCS(=O)(=O)C2)[C@@H]1[*:1])c1ccccc1
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 O=C(c1ccccc1)[*:1] COC(=O)c1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1[C@H]1CCS(=O)(=O)C1)[*:1]
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 COC(=O)[*:1] O=C(C1=C([O-])C(=O)N([C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(cc1)[*:1])c1ccccc1
CC(C)(CCS(C)(=O)=O)C[NH2+]Cc1cc(F)ccc1Br CS(=O)(=O)C[*:1] CC(C)(C[NH2+]Cc1cc(F)ccc1Br)C[*:1]
CC(C)(CCS(C)(=O)=O)C[NH2+]Cc1cc(F)ccc1Br CS(=O)(=O)[*:1] CC(C)(CC[*:1])C[NH2+]Cc1cc(F)ccc1Br
CC(C)(CCS(C)(=O)=O)C[NH2+]Cc1cc(F)ccc1Br CS(=O)(=O)CC[*:1] CC(C)(C[NH2+]Cc1cc(F)ccc1Br)[*:1]
Cc1c(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cnn1-c1ccncc1 O=C(NCC1CC1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1c(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cnn1-c1ccncc1 C1CC1[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1c(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC[C@H](C1)C(=O)NCC1CC1
Cc1c(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cnn1-c1ccncc1 C1CC1C[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
O=C(CCc1ccccc1)N[C@@H]1CCSc2ccc(F)cc21 c1ccc(cc1)[*:1] O=C(CC[*:1])N[C@@H]1CCSc2ccc(F)cc21
O=C(CCc1ccccc1)N[C@@H]1CCSc2ccc(F)cc21 c1ccc(cc1)C[*:1] O=C(C[*:1])N[C@@H]1CCSc2ccc(F)cc21
CCOC(=O)NC(=O)/C(C#N)=C/Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CCOC(=O)NC(=O)/C(C#N)=C/Nc1ccc(cc1)O[*:1]
CCOC(=O)NC(=O)/C(C#N)=C/Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CCOC(=O)NC(=O)/C(C#N)=C/Nc1ccc(cc1)[*:1]
CCOC(=O)NC(=O)/C(C#N)=C/Nc1ccc(OC(F)(F)F)cc1 CCOC(=O)NC(=O)[*:1] N#CC(=CNc1ccc(cc1)OC(F)(F)F)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]2O)cc1 CN(C)C(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])NC[C@@H]1CCC[C@@H]1O
CC[C@@H](C)NC(=O)c1cc2ccc(OC(=O)[C@H]3COc4ccccc4O3)cc2oc1=O CC[C@@H](C)[*:1] O=C(N[*:1])c1cc2ccc(cc2oc1=O)OC(=O)[C@H]1COc2ccccc2O1
CC[C@@H](C)NC(=O)c1cc2ccc(OC(=O)[C@H]3COc4ccccc4O3)cc2oc1=O CC[C@@H](C)NC(=O)[*:1] O=C(Oc1ccc2cc(c(=O)oc2c1)[*:1])[C@H]1COc2ccccc2O1
COC(=O)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@H]3C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] COC(=O)c1ccc2c(=O)nc3[C@H](SC(=S)n3c2c1)[*:1]
COC(=O)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@H]3C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] COC(=O)c1ccc2c(=O)nc3[C@@H](SC(=S)n3c2c1)C(=O)N[*:1]
COC(=O)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@H]3C(=O)NC1CCCCC1 COC(=O)[*:1] O=C(NC1CCCCC1)[C@@H]1SC(=S)n2c1nc(=O)c1ccc(cc12)[*:1]
CO[C@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(C)cn2)C1 Cc1ccc(nc1)[*:1] CO[C@H]1CCCN(C1)C(=O)NCCC(=O)N[*:1]
Cc1nc(CCC(=O)N2C[C@@H](C[NH+]3CCCCCC3)[C@@H](CO)C2)n[nH]1 Cc1nc(C[*:1])n[nH]1 O=C(C[*:1])N1C[C@@H](C[NH+]2CCCCCC2)[C@@H](CO)C1
Cc1nc(CCC(=O)N2C[C@@H](C[NH+]3CCCCCC3)[C@@H](CO)C2)n[nH]1 Cc1nc(CC[*:1])n[nH]1 O=C(N1C[C@@H](C[NH+]2CCCCCC2)[C@@H](CO)C1)[*:1]
Cc1nc(CCC(=O)N2C[C@@H](C[NH+]3CCCCCC3)[C@@H](CO)C2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(CC[*:1])N1C[C@@H](C[NH+]2CCCCCC2)[C@@H](CO)C1
O=c1c([N+](=O)[O-])c(NCc2ccsc2)nc2ccccn12 c1cc(cs1)[*:1] O=c1c(c(nc2ccccn12)NC[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(NCc2ccsc2)nc2ccccn12 O=[N+]([O-])[*:1] O=c1c(c(nc2ccccn12)NCc1ccsc1)[*:1]
O=c1c([N+](=O)[O-])c(NCc2ccsc2)nc2ccccn12 c1cc(cs1)C[*:1] O=c1c(c(nc2ccccn12)N[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(NCc2ccsc2)nc2ccccn12 c1cc(cs1)CN[*:1] O=c1c(c(nc2ccccn12)[*:1])[N+](=O)[O-]
C[C@@H](CC(=O)NC[C@@](C)(O)c1ccsc1)c1ccc(F)cc1 c1cc(cs1)[*:1] C[C@@H](CC(=O)NC[C@@](C)(O)[*:1])c1ccc(F)cc1
C[C@@H](CC(=O)NC[C@@](C)(O)c1ccsc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CC(=O)NC[C@@](C)(O)c1ccsc1)[*:1]
CO[C@H]1CCC[C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)C1 c1cncc(c1)[*:1] CO[C@H]1CCC[C@@H](C1)C(=O)N1CCC(O)(CC1)[*:1]
CCCS(=O)(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]1[C@@H]2C C[C@H](C(=O)NC1CC1)[*:1] CCCS(=O)(=O)Nc1nc2c(C[C@]3(C)CC[C@H]([C@H](O)[C@H]3[C@@H]2C)[*:1])s1
CCCS(=O)(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]1[C@@H]2C O=C(NC1CC1)[*:1] CCCS(=O)(=O)Nc1nc2c(C[C@]3(C)CC[C@@H]([C@H](O)[C@H]3[C@@H]2C)[C@H](C)[*:1])s1
CCCS(=O)(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]1[C@@H]2C CCCS(=O)(=O)N[*:1] C[C@@H]1c2nc(sc2C[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@@H]12)[*:1]
CCCS(=O)(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]1[C@@H]2C CCC[*:1] C[C@@H]1c2nc(NS(=O)(=O)[*:1])sc2C[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@@H]12
CCCS(=O)(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]1[C@@H]2C C1CC1[*:1] CCCS(=O)(=O)Nc1nc2c(C[C@]3(C)CC[C@H]([C@H](C)C(=O)N[*:1])[C@H](O)[C@H]3[C@@H]2C)s1
Cc1ccccc1Cc1noc(CNc2cc(F)c(F)c(F)c2)n1 Cc1ccccc1[*:1] Fc1cc(cc(F)c1F)NCc1nc(C[*:1])no1
Cc1ccccc1Cc1noc(CNc2cc(F)c(F)c(F)c2)n1 Cc1ccccc1C[*:1] Fc1cc(cc(F)c1F)NCc1nc(no1)[*:1]
C[C@@H]1[C@@H](c2nc3ccccc3[nH]2)[C@@H](NC(=O)c2ccccc2F)N(Cc2ccco2)[C@@H]1C c1coc(c1)[*:1] C[C@@H]1[C@@H](c2nc3ccccc3[nH]2)[C@@H](NC(=O)c2ccccc2F)N(C[*:1])[C@@H]1C
C[C@@H]1[C@@H](c2nc3ccccc3[nH]2)[C@@H](NC(=O)c2ccccc2F)N(Cc2ccco2)[C@@H]1C O=C(N[*:1])c1ccccc1F C[C@@H]1[C@@H](c2nc3ccccc3[nH]2)[C@@H](N(Cc2ccco2)[C@@H]1C)[*:1]
C[C@@H]1[C@@H](c2nc3ccccc3[nH]2)[C@@H](NC(=O)c2ccccc2F)N(Cc2ccco2)[C@@H]1C c1coc(c1)C[*:1] C[C@@H]1[C@@H](c2nc3ccccc3[nH]2)[C@@H](NC(=O)c2ccccc2F)N([C@@H]1C)[*:1]
C[C@@H]1[C@@H](c2nc3ccccc3[nH]2)[C@@H](NC(=O)c2ccccc2F)N(Cc2ccco2)[C@@H]1C c1ccc2[nH]c(nc2c1)[*:1] C[C@H]1[C@@H](C)N(Cc2ccco2)[C@H](NC(=O)c2ccccc2F)[C@H]1[*:1]
C[C@@H]1[C@@H](c2nc3ccccc3[nH]2)[C@@H](NC(=O)c2ccccc2F)N(Cc2ccco2)[C@@H]1C Fc1ccccc1[*:1] C[C@@H]1[C@@H](c2nc3ccccc3[nH]2)[C@@H](NC(=O)[*:1])N(Cc2ccco2)[C@@H]1C
O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 O=[N+]([O-])[*:1] c1ccc(c(c1)C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
COc1ccc2c(=O)c(NC(=O)NCc3ccc(F)cc3)c[nH]c2c1 Fc1ccc(cc1)C[*:1] COc1ccc2c(=O)c(c[nH]c2c1)NC(=O)N[*:1]
COc1ccc2c(=O)c(NC(=O)NCc3ccc(F)cc3)c[nH]c2c1 Fc1ccc(cc1)[*:1] COc1ccc2c(=O)c(c[nH]c2c1)NC(=O)NC[*:1]
CCN(C(=O)CCSc1nc(C)n[nH]1)[C@@H](C)c1cc2ccccc2o1 Cc1n[nH]c(n1)SC[*:1] CCN(C(=O)C[*:1])[C@@H](C)c1cc2ccccc2o1
CCN(C(=O)CCSc1nc(C)n[nH]1)[C@@H](C)c1cc2ccccc2o1 Cc1n[nH]c(n1)[*:1] CCN(C(=O)CCS[*:1])[C@@H](C)c1cc2ccccc2o1
CCN(C(=O)CCSc1nc(C)n[nH]1)[C@@H](C)c1cc2ccccc2o1 Cc1n[nH]c(n1)S[*:1] CCN(C(=O)CC[*:1])[C@@H](C)c1cc2ccccc2o1
CCc1nsc(N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)n1 CCc1nsc(n1)[*:1] Cc1nnc(c(C(N)=O)c1C)N1CCN(CC1)[*:1]
CCc1nsc(N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)n1 NC(=O)[*:1] CCc1nsc(n1)N1CCN(CC1)c1nnc(C)c(C)c1[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)c1cc(C2CC2)on1 c1ccc(cc1)[*:1] Cc1cnn(c1NC(=O)c1cc(on1)C1CC1)[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)c1cc(C2CC2)on1 C1CC1[*:1] Cc1cnn(-c2ccccc2)c1NC(=O)c1cc(on1)[*:1]
CN1CCN(C(=O)c2cn(C)nc2C(=O)[O-])CC1 O=C([O-])[*:1] CN1CCN(CC1)C(=O)c1cn(C)nc1[*:1]
CNc1sc(C(C)=O)c(C)[n+]1CCSC CSCC[*:1] CNc1sc(C(C)=O)c(C)[n+]1[*:1]
CNc1sc(C(C)=O)c(C)[n+]1CCSC CSC[*:1] CNc1sc(C(C)=O)c(C)[n+]1C[*:1]
CNc1sc(C(C)=O)c(C)[n+]1CCSC CC(=O)[*:1] CNc1sc(c(C)[n+]1CCSC)[*:1]
O=C(Nc1ccnn1C[C@@H]1CCOC1)c1c[nH]c2nccc(Cl)c12 C1C[C@H](CO1)C[*:1] O=C(Nc1ccnn1[*:1])c1c[nH]c2nccc(Cl)c12
CCC[NH2+][C@H](c1cc(F)cc(F)c1)c1ccc(Br)o1 CCC[*:1] Fc1cc(F)cc(c1)[C@@H]([NH2+][*:1])c1ccc(Br)o1
CCC[NH2+][C@H](c1cc(F)cc(F)c1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] CCC[NH2+][C@H](c1cc(F)cc(F)c1)[*:1]
Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)c2)n1 Cc1csc(n1)[*:1] Cc1cc(cc([nH+]1)[C@H]1CCCN1C(=O)Cc1ccc(F)cc1)N[*:1]
Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)c2)n1 Fc1ccc(cc1)C[*:1] Cc1csc(n1)Nc1cc(C)[nH+]c(c1)[C@H]1CCCN1C(=O)[*:1]
Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)c2)n1 Fc1ccc(cc1)[*:1] Cc1csc(n1)Nc1cc(C)[nH+]c(c1)[C@H]1CCCN1C(=O)C[*:1]
Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)c2)n1 Cc1csc(n1)N[*:1] Cc1cc(cc([nH+]1)[C@H]1CCCN1C(=O)Cc1ccc(F)cc1)[*:1]
COc1cccc(C2=Nc3nnnn3[C@H](c3c(Cl)cccc3Cl)C2)c1 Clc1cccc(Cl)c1[*:1] COc1cccc(c1)C1C[C@@H](n2nnnc2N=1)[*:1]
COc1cccc(C2=Nc3nnnn3[C@H](c3c(Cl)cccc3Cl)C2)c1 COc1cccc(c1)[*:1] Clc1cccc(Cl)c1[C@@H]1CC(=Nc2nnnn21)[*:1]
CC[C@@H](Sc1cc(C)ncn1)C(=O)Nc1ccc(NC(C)=O)cc1 Cc1cc(ncn1)[*:1] CC[C@@H](S[*:1])C(=O)Nc1ccc(cc1)NC(C)=O
CC[C@@H](Sc1cc(C)ncn1)C(=O)Nc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CC[C@@H](Sc1cc(C)ncn1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](Sc1cc(C)ncn1)C(=O)Nc1ccc(NC(C)=O)cc1 Cc1cc(ncn1)S[*:1] CC[C@@H](C(=O)Nc1ccc(cc1)NC(C)=O)[*:1]
C[C@@H](COCC(F)(F)F)NC(=O)[C@H](C)n1c(=O)oc2ccccc21 FC(F)(F)C[*:1] C[C@@H](CO[*:1])NC(=O)[C@H](C)n1c(=O)oc2ccccc21
C[C@@H](COCC(F)(F)F)NC(=O)[C@H](C)n1c(=O)oc2ccccc21 FC(F)(F)CO[*:1] C[C@@H](C[*:1])NC(=O)[C@H](C)n1c(=O)oc2ccccc21
C[C@@H](COCC(F)(F)F)NC(=O)[C@H](C)n1c(=O)oc2ccccc21 FC(F)(F)[*:1] C[C@@H](COC[*:1])NC(=O)[C@H](C)n1c(=O)oc2ccccc21
C[C@@H](COCC(F)(F)F)NC(=O)[C@H](C)n1c(=O)oc2ccccc21 FC(F)(F)COC[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])n1c(=O)oc2ccccc21
Cc1nc(SCC(=O)Nc2nc3c(s2)CCC3)c2ccccc2n1 C1Cc2nc(sc2C1)[*:1] Cc1nc(SCC(=O)N[*:1])c2ccccc2n1
CN(C(=O)/C=C/c1cncc(F)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O Fc1cncc(c1)[*:1] CN(C(=O)C=C[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
CN(C(=O)/C=C/c1cncc(F)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)/C=C/c1cncc(F)c1)[C@H]1CCCC[C@H]1[*:1]
COCCCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(Cl)cc1 COCC[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[*:1])c1ccc(Cl)cc1
COCCCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(Cl)cc1 COCCC[*:1] C[C@@]1(Nc2ccccc2C(=O)N1[*:1])c1ccc(Cl)cc1
COCCCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(Cl)cc1 COC[*:1] C[C@@]1(Nc2ccccc2C(=O)N1CC[*:1])c1ccc(Cl)cc1
COCCCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCCN1C(=O)c2ccccc2N[C@@]1(C)[*:1]
C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1c2ccccc2C[C@H]1C c1coc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)OCC(=O)N1c2ccccc2C[C@H]1C
C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1c2ccccc2C[C@H]1C O=C(N[*:1])c1ccco1 C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[C@H](C)[*:1]
COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2c1C O=[N+]([O-])[*:1] COC(=O)c1sc2ncc(cc2c1C)C(=O)/C=C/c1ccc(Cl)c(c1)[*:1]
COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2c1C COC(=O)[*:1] Cc1c(sc2ncc(cc12)C(=O)/C=C/c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
COc1ccc(CC/C([O-])=N/S(=O)(=O)c2ccccc2C(F)(F)F)cc1 COc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])c1ccccc1C(F)(F)F
COc1ccc(CC/C([O-])=N/S(=O)(=O)c2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CC/C([O-])=N/S(=O)(=O)c1ccccc1[*:1]
Cc1ccc(NC(=O)C(C)(C)c2cccc(Cl)c2)cc1C(=O)N(C)C Clc1cccc(c1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)C(C)(C)[*:1]
Cc1ccc(NC(=O)C(C)(C)c2cccc(Cl)c2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C(C)(C)c1cccc(Cl)c1
COc1ccc(NC(=O)NN(c2ccccc2)c2ccccc2)cn1 c1ccc(cc1)[*:1] COc1ccc(cn1)NC(=O)NN(c1ccccc1)[*:1]
COc1ccc(NC(=O)NN(c2ccccc2)c2ccccc2)cn1 COc1ccc(cn1)[*:1] O=C(NN(c1ccccc1)c1ccccc1)N[*:1]
COCCC[NH+]1CCC(Nc2nc3ccccc3cc2CO)CC1 COCCC[*:1] OCc1cc2ccccc2nc1NC1CC[NH+](CC1)[*:1]
COCCC[NH+]1CCC(Nc2nc3ccccc3cc2CO)CC1 COCC[*:1] OCc1cc2ccccc2nc1NC1CC[NH+](CC1)C[*:1]
COCCC[NH+]1CCC(Nc2nc3ccccc3cc2CO)CC1 COC[*:1] OCc1cc2ccccc2nc1NC1CC[NH+](CC1)CC[*:1]
CCCN[C@H](c1cnccn1)C(C)(C)[NH+](C)C CCC[*:1] C[NH+](C)C(C)(C)[C@H](N[*:1])c1cnccn1
CCCN[C@H](c1cnccn1)C(C)(C)[NH+](C)C CCCN[*:1] C[NH+](C)C(C)(C)[C@@H](c1cnccn1)[*:1]
Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 Cc1ccc(Cl)cc1[*:1] C[C@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CCCC(C)(C)NC(=O)c1nn(-c2ccccc2)c(C)cc1=O c1ccc(cc1)[*:1] CCCC(C)(C)NC(=O)c1nn(c(C)cc1=O)[*:1]
CCCC(C)(C)NC(=O)c1nn(-c2ccccc2)c(C)cc1=O CCC[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)NC(C)(C)[*:1]
CCCC(C)(C)NC(=O)c1nn(-c2ccccc2)c(C)cc1=O CCCC(C)(C)[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)N[*:1]
CCOc1ccc(NC[C@H]2CCCCO2)cn1 CCO[*:1] c1cc(ncc1NC[C@H]1CCCCO1)[*:1]
CC[C@H](NCc1nnc(-c2ccccc2)s1)c1cc(C)ccc1OC c1ccc(cc1)[*:1] CC[C@H](NCc1nnc(s1)[*:1])c1cc(C)ccc1OC
CCCC(CCC)CC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 CCCC(CCC)[*:1] O=C(C[*:1])N1CCCN(CC1)C(=O)c1ccc(F)cc1
CCCC(CCC)CC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCCC(CCC)CC(=O)N1CCCN(CC1)C(=O)[*:1]
CCCC(CCC)CC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 CCCC(CCC)C[*:1] O=C(c1ccc(F)cc1)N1CCCN(CC1)C(=O)[*:1]
CCCC(CCC)CC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 CCC[*:1] CCCC(CC(=O)N1CCCN(CC1)C(=O)c1ccc(F)cc1)[*:1]
Cc1nnc(-c2ccc(NC(=O)N(C3CC3)[C@@H](C)c3ccco3)cc2)o1 Cc1nnc(o1)[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1ccc(cc1)[*:1])C1CC1
Cc1nnc(-c2ccc(NC(=O)N(C3CC3)[C@@H](C)c3ccco3)cc2)o1 C1CC1[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)N([C@@H](C)c1ccco1)[*:1]
Cc1nnc(-c2ccc(NC(=O)N(C3CC3)[C@@H](C)c3ccco3)cc2)o1 c1coc(c1)[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)N(C1CC1)[C@@H](C)[*:1]
CC(C)CN(CC(N)=O)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 C1CC1c1noc(n1)[*:1] CC(C)CN(CC(N)=O)C(=O)c1ccc(cc1)[*:1]
CC(C)CN(CC(N)=O)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 NC(=O)C[*:1] CC(C)CN(C(=O)c1ccc(cc1)-c1nc(no1)C1CC1)[*:1]
CC(C)CN(CC(N)=O)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 CC(C)C[*:1] NC(=O)CN(C(=O)c1ccc(cc1)-c1nc(no1)C1CC1)[*:1]
CC(C)CN(CC(N)=O)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 CC(C)[*:1] NC(=O)CN(C[*:1])C(=O)c1ccc(cc1)-c1nc(no1)C1CC1
CC(C)CN(CC(N)=O)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 NC(=O)[*:1] CC(C)CN(C[*:1])C(=O)c1ccc(cc1)-c1nc(no1)C1CC1
CC(C)CN(CC(N)=O)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 C1CC1[*:1] CC(C)CN(CC(N)=O)C(=O)c1ccc(cc1)-c1nc(no1)[*:1]
CC(C)(C)c1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)OCC(=O)NC[*:1]
CC(C)(C)c1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)cc1 CC(C)(C)[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])NCc1ccc(F)cc1F
CN(C1CC[NH+](Cc2cccc(-c3cnn(C)c3)c2)CC1)S(C)(=O)=O Cn1cc(cn1)[*:1] CN(C1CC[NH+](CC1)Cc1cccc(c1)[*:1])S(C)(=O)=O
CN(C1CC[NH+](Cc2cccc(-c3cnn(C)c3)c2)CC1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] Cn1cc(cn1)-c1cccc(c1)C[NH+]1CCC(CC1)[*:1]
CCCN(CC#N)Cc1cn[nH]c1-c1cccc(C)c1 N#CC[*:1] CCCN(Cc1cn[nH]c1-c1cccc(C)c1)[*:1]
CCCN(CC#N)Cc1cn[nH]c1-c1cccc(C)c1 CCC[*:1] Cc1cccc(c1)-c1[nH]ncc1CN(CC#N)[*:1]
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)Nc1cccc(Cl)c1 c1ccc(cc1)CS[*:1] Cc1nc([nH]c(=O)c1CC(=O)Nc1cccc(Cl)c1)[*:1]
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)Nc1cccc(Cl)c1 c1ccc(cc1)C[*:1] Cc1nc([nH]c(=O)c1CC(=O)Nc1cccc(Cl)c1)S[*:1]
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[*:1])SCc1ccccc1
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)Nc1cccc(Cl)c1)SC[*:1]
Cc1cnc(N(C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(c(c1)[*:1])N(C)Cc1ccc(O)cc1
CN1C[C@@H](c2n[nH]c(=O)n2-c2ccccc2Oc2ccccc2)CC1=O c1ccc(cc1)O[*:1] CN1C[C@H](CC1=O)c1n[nH]c(=O)n1-c1ccccc1[*:1]
CN1C[C@@H](c2n[nH]c(=O)n2-c2ccccc2Oc2ccccc2)CC1=O c1ccc(cc1)[*:1] CN1C[C@H](CC1=O)c1n[nH]c(=O)n1-c1ccccc1O[*:1]
CCN(CC)C(=O)c1nc(CCc2ccccc2)nn1-c1ccccc1 CCN(CC)C(=O)[*:1] c1ccc(cc1)CCc1nc(n(n1)-c1ccccc1)[*:1]
CCN(CC)C(=O)c1nc(CCc2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1nc(CCc2ccccc2)nn1[*:1]
CCN(CC)C(=O)c1nc(CCc2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1nc(CC[*:1])nn1-c1ccccc1
CCN(CC)C(=O)c1nc(CCc2ccccc2)nn1-c1ccccc1 c1ccc(cc1)CC[*:1] CCN(CC)C(=O)c1nc(nn1-c1ccccc1)[*:1]
CCN(CC)C(=O)c1nc(CCc2ccccc2)nn1-c1ccccc1 c1ccc(cc1)C[*:1] CCN(CC)C(=O)c1nc(C[*:1])nn1-c1ccccc1
NC(=O)[C@@H]1CCN(C(=O)[C@H]2CCCc3sccc32)c2ccccc21 NC(=O)[*:1] O=C([C@H]1CCCc2sccc21)N1CC[C@H](c2ccccc21)[*:1]
CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(ccc1Cl)[*:1]
CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(N2CCCC2=O)ccc1Cl CCS[*:1] O=C(N[C@@H]1CCC[C@H]1[*:1])c1cc(ccc1Cl)N1CCCC1=O
N#Cc1cc(NCc2ccncc2)nc2ccc(Cl)cc12 c1cc(ccn1)C[*:1] N#Cc1cc(nc2ccc(Cl)cc12)N[*:1]
N#Cc1cc(NCc2ccncc2)nc2ccc(Cl)cc12 c1cc(ccn1)[*:1] N#Cc1cc(nc2ccc(Cl)cc12)NC[*:1]
Cc1nc2ccc(C(=O)N(C3CC3)[C@@H]3CC([O-])=NC3=O)cc2nc1C C1CC1[*:1] Cc1nc2ccc(cc2nc1C)C(=O)N([C@@H]1CC([O-])=NC1=O)[*:1]
CC(=O)NCC#CCOc1cccc2cccnc12 CC(=O)N[*:1] C(#CC[*:1])COc1cccc2cccnc12
CC(=O)NCC#CCOc1cccc2cccnc12 CC(=O)NC[*:1] C(#C[*:1])COc1cccc2cccnc12
COc1ccc(N2C(=O)C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)C2=O)cc1Cl COc1ccc(cc1Cl)[*:1] O=C1C[C@@H](Nc2ccc(cc2)S(=O)(=O)[N-]c2nccs2)C(=O)N1[*:1]
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(N[C@H](C1CC1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 C1CC1[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(-n2cnnc2)nc1 c1nncn1[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)c1ccc(nc1)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(-n2cnnc2)nc1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)c1ccc(nc1)-n1cnnc1
CC(C)(O)CCN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O CC(C)(O)[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1ccc(Cl)s1
CC(C)(O)CCN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O CC(C)(O)CC[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(Cl)s1
CC(C)(O)CCN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O Clc1ccc(s1)[*:1] CC(C)(O)CCN1C(=O)N[C@@](C)(C1=O)[*:1]
CC(C)(O)CCN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O CC(C)(O)C[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(Cl)s1
Cc1csc([C@H](C#N)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)n1 Cc1csc(n1)[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)[C@@H](C#N)[*:1]
CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1 CCO[*:1] O=C(Nc1cccc2ccccc12)c1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 CC[C@H](C)[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)[NH2+]CCC(=O)N[*:1]
CCCCn1nnnc1CN1CCC[C@H]1Cn1cc(C)cn1 CCCC[*:1] Cc1cnn(c1)C[C@@H]1CCCN1Cc1nnnn1[*:1]
CCCCn1nnnc1CN1CCC[C@H]1Cn1cc(C)cn1 Cc1cnn(c1)C[*:1] CCCCn1nnnc1CN1CCC[C@@H]1[*:1]
CCCCn1nnnc1CN1CCC[C@H]1Cn1cc(C)cn1 CCC[*:1] Cc1cnn(c1)C[C@@H]1CCCN1Cc1nnnn1C[*:1]
CCCCn1nnnc1CN1CCC[C@H]1Cn1cc(C)cn1 Cc1cnn(c1)[*:1] CCCCn1nnnc1CN1CCC[C@H]1C[*:1]
CCCn1c([C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 CCC[*:1] COc1ccc(cc1)CN1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
CCCn1c([C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 COc1ccc(cc1)[*:1] CCCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)C[*:1]
CCCn1c([C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 COc1ccc(cc1)C[*:1] CCCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
CC(C)CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F CC(C)[*:1] O=C(NC[*:1])c1c(F)ccc(c1F)[N+](=O)[O-]
CC(C)CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] CC(C)CNC(=O)c1c(F)ccc(c1F)[*:1]
CC(C)CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F CC(C)C[*:1] O=C(N[*:1])c1c(F)ccc(c1F)[N+](=O)[O-]
COc1ccccc1S(=O)(=O)NCCO OCC[*:1] COc1ccccc1S(=O)(=O)N[*:1]
COc1ccc2cc(CCNS(C)(=O)=O)c(=O)[nH]c2c1 CS(=O)(=O)NC[*:1] COc1ccc2cc(C[*:1])c(=O)[nH]c2c1
COc1ccc2cc(CCNS(C)(=O)=O)c(=O)[nH]c2c1 CS(=O)(=O)N[*:1] COc1ccc2cc(CC[*:1])c(=O)[nH]c2c1
CCC(=O)Oc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O CCC(=O)O[*:1] Cn1cc(/C=C2\Oc3cc(ccc3C2=O)[*:1])c2ccccc21
CC(C)c1cc(C(=O)NCC[NH+](C)C2CCCCC2)on1 C1CCC(CC1)[*:1] CC(C)c1cc(on1)C(=O)NCC[NH+](C)[*:1]
CC(C)c1cc(C(=O)NCC[NH+](C)C2CCCCC2)on1 CC(C)[*:1] C[NH+](CCNC(=O)c1cc(no1)[*:1])C1CCCCC1
COc1ccccc1-n1cnnc1SCC(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] COc1ccccc1-n1cnnc1SCC(=O)c1ccc(cc1)[*:1]
COc1ccccc1-n1cnnc1SCC(=O)c1ccc(C(C)C)cc1 COc1ccccc1[*:1] CC(C)c1ccc(cc1)C(=O)CSc1nncn1[*:1]
CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@H]1CCc2ccccc21 c1ccc2c(c1)CC[C@@H]2[*:1] CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[*:1]
CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@H]1CCc2ccccc21 CS(=O)(=O)C[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N[C@H]1CCc2ccccc21
CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@H]1CCc2ccccc21 CS(=O)(=O)[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)N[C@H]1CCc2ccccc21
CCc1cccc(C)c1NC(=O)c1cnc(SC)nc1-c1ccccc1 c1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)c1cnc(nc1[*:1])SC
Cc1ccccc1C(=O)Oc1cccc(-n2cnnn2)c1 c1nnnn1[*:1] Cc1ccccc1C(=O)Oc1cccc(c1)[*:1]
Cc1ccccc1C(=O)Oc1cccc(-n2cnnn2)c1 Cc1ccccc1[*:1] O=C(Oc1cccc(c1)-n1cnnn1)[*:1]
Cc1cc(C)n(CC(=O)NCCOc2c(C)cccc2C)n1 Cc1cc(C)n(n1)[*:1] Cc1cccc(C)c1OCCNC(=O)C[*:1]
O=C(CNC(=O)c1ccoc1)NNC(=O)CC1CCCCC1 C1CCC(CC1)[*:1] O=C(CNC(=O)c1ccoc1)NNC(=O)C[*:1]
O=C(CNC(=O)c1ccoc1)NNC(=O)CC1CCCCC1 C1CCC(CC1)C[*:1] O=C(CNC(=O)c1ccoc1)NNC(=O)[*:1]
O=C(CNC(=O)c1ccoc1)NNC(=O)CC1CCCCC1 c1cc(co1)[*:1] O=C(CNC(=O)[*:1])NNC(=O)CC1CCCCC1
C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccccc1 CN(C)C(=O)[*:1] C[C@H]([NH2+]C[C@@H]1CC[C@H](O1)[*:1])c1ccccc1
C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]C[C@@H]1CC[C@@H](O1)C(=O)N(C)C)[*:1]
Cc1cccc(N2C[C@@H](C(=O)NCCc3ccccc3)CC2=O)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)NCC[*:1]
Cc1cccc(N2C[C@@H](C(=O)NCCc3ccccc3)CC2=O)c1C c1ccc(cc1)CC[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1cccc(N2C[C@@H](C(=O)NCCc3ccccc3)CC2=O)c1C c1ccc(cc1)C[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)NC[*:1]
Cc1cccc(N2C[C@@H](C(=O)NCCc3ccccc3)CC2=O)c1C Cc1cccc(c1C)[*:1] O=C(NCCc1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
CC[C@@](O)(Cc1nc(C)cs1)C(C)C CC(C)[*:1] CC[C@@](O)(Cc1nc(C)cs1)[*:1]
C=C(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccccc2OC)n(C)c1=O COc1ccccc1[*:1] C=C(C)Cn1c(=O)c2c(nc3N(CCCn32)[*:1])n(C)c1=O
C=C(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccccc2OC)n(C)c1=O C=C(C)C[*:1] COc1ccccc1N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
C=C(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccccc2OC)n(C)c1=O C=C(C)[*:1] COc1ccccc1N1CCCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
C[C@@H](CNC(=O)NCc1ccc([S@](C)=O)cc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NCc1ccc(cc1)[S@](C)=O)O[*:1]
C[C@@H](CNC(=O)NCc1ccc([S@](C)=O)cc1)Oc1ccccc1 C[S@](=O)[*:1] C[C@@H](CNC(=O)NCc1ccc(cc1)[*:1])Oc1ccccc1
C[C@@H](CNC(=O)NCc1ccc([S@](C)=O)cc1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
C[C@@H]1COC[C@@H](C)N1Cc1c(F)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]1COC[C@@H](C)N1Cc1c(F)cccc1[*:1]
O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)Nc1cccc2ccccc12 C1CCC(CC1)[*:1] O=C(Cc1csc(n1)NC(=O)N[*:1])Nc1cccc2ccccc12
CN(C)S(=O)(=O)c1cccc(NC(=O)CSCC2=NC(=O)C3=C4CCCC[C@@H]4SC3=N2)c1 CN(C)S(=O)(=O)[*:1] O=C(CSCC1=NC(=O)C2C(=N1)S[C@H]1CCCCC=21)Nc1cccc(c1)[*:1]
C=CCn1c(SCc2noc(CC)n2)nc2sccc2c1=O C=CC[*:1] CCc1nc(CSc2nc3sccc3c(=O)n2[*:1])no1
C=CCn1c(SCc2noc(CC)n2)nc2sccc2c1=O CCc1nc(no1)[*:1] C=CCn1c(nc2sccc2c1=O)SC[*:1]
CN1CC[C@@H](C(=O)Nc2nnc(SCc3cccs3)s2)CC1=O c1csc(c1)CS[*:1] CN1CC[C@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
CN1CC[C@@H](C(=O)Nc2nnc(SCc3cccs3)s2)CC1=O c1csc(c1)[*:1] CN1CC[C@H](CC1=O)C(=O)Nc1nnc(SC[*:1])s1
CN1CC[C@@H](C(=O)Nc2nnc(SCc3cccs3)s2)CC1=O c1csc(c1)C[*:1] CN1CC[C@H](CC1=O)C(=O)Nc1nnc(S[*:1])s1
COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c([N+](=O)[O-])cc1OC Cc1cc(C)cc(c1)[*:1] COc1cc(/C=C2\SC(=N[*:1])NC2=O)c(cc1OC)[N+](=O)[O-]
COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(cc1OC)[*:1]
O=C(Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] O=C(Cn1cnc2c(cnn2-c2cccc(c2)C(F)(F)F)c1=O)N[*:1]
O=C(Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Cn1cnc2c(cnn2-c2cccc(c2)[*:1])c1=O)Nc1ccc(cc1)C(F)(F)F
O=C(Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)c1cccc(c1)[*:1] O=C(Cn1cnc2c(cnn2[*:1])c1=O)Nc1ccc(cc1)C(F)(F)F
O=C(Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Cn1cnc2c(cnn2-c2cccc(c2)C(F)(F)F)c1=O)Nc1ccc(cc1)[*:1]
O=C(Cc1c(F)cccc1Cl)NNC(=O)c1cccnc1 c1cncc(c1)[*:1] O=C(Cc1c(F)cccc1Cl)NNC(=O)[*:1]
Cc1ccc2ncc(C(=O)N(C)Cc3ccc(Cl)cc3)n2c1 Clc1ccc(cc1)[*:1] Cc1ccc2ncc(C(=O)N(C)C[*:1])n2c1
C[C@H]([NH2+]CCc1ccco1)[C@@H](C)C(=O)[O-] c1coc(c1)[*:1] C[C@H]([NH2+]CC[*:1])[C@@H](C)C(=O)[O-]
C[C@H]([NH2+]CCc1ccco1)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+]CCc1ccco1)[C@@H](C)[*:1]
C[C@@H](SC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)C(=O)NC1CC1 Clc1ccc(cc1Cl)[*:1] C[C@@H](SC1=NC(=C[*:1])C(=O)N1c1ccccc1F)C(=O)NC1CC1
C[C@@H](SC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@@H](SC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)[*:1]
C[C@@H](SC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)C(=O)NC1CC1 C1CC1[*:1] C[C@@H](SC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)C(=O)N[*:1]
C[C@@H](SC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)C(=O)NC1CC1 Fc1ccccc1[*:1] C[C@@H](SC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1[*:1])C(=O)NC1CC1
C[C@H](SCC(=O)NC[C@H]1CCCO1)c1ccccc1Cl C1CO[C@H](C1)C[*:1] C[C@H](SCC(=O)N[*:1])c1ccccc1Cl
C[C@H](SCC(=O)NC[C@H]1CCCO1)c1ccccc1Cl C1CO[C@H](C1)[*:1] C[C@H](SCC(=O)NC[*:1])c1ccccc1Cl
COC(=O)c1c(C2CC2)csc1NC(=O)c1ccccc1C C1CC1[*:1] COC(=O)c1c(csc1NC(=O)c1ccccc1C)[*:1]
COC(=O)c1c(C2CC2)csc1NC(=O)c1ccccc1C COC(=O)[*:1] Cc1ccccc1C(=O)Nc1scc(c1[*:1])C1CC1
COC(=O)c1c(C2CC2)csc1NC(=O)c1ccccc1C Cc1ccccc1[*:1] COC(=O)c1c(csc1NC(=O)[*:1])C1CC1
Cc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1NC(=O)c1ccncc1 c1cn2cc(C[*:1])nc2s1 Cc1ccc(cc1NC(=O)c1ccncc1)NC(=O)[*:1]
Cc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1NC(=O)c1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)[*:1])NC(=O)Cc1cn2ccsc2n1
Cc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1NC(=O)c1ccncc1 O=C(N[*:1])c1ccncc1 Cc1ccc(cc1[*:1])NC(=O)Cc1cn2ccsc2n1
Cc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1NC(=O)c1ccncc1 c1cn2cc(nc2s1)[*:1] Cc1ccc(cc1NC(=O)c1ccncc1)NC(=O)C[*:1]
CC(=O)Nc1ccc(CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 CC(=O)N[*:1] C[C@]1(NC(=O)N(NC(=O)Cc2ccc(cc2)[*:1])C1=O)c1ccccc1
CC(=O)Nc1ccc(CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)NN1C(=O)N[C@@](C)(C1=O)[*:1]
C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)C(C)(C)C[NH+](C)C Fc1ccc(c(F)c1)[*:1] C[C@@H](NC(=O)N[C@@H]1CCN(C1)[*:1])C(C)(C)C[NH+](C)C
NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2Cl)C1 NC(=O)[*:1] O=C(Nc1cccnc1Cl)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2Cl)C1 Clc1ncccc1[*:1] NC(=O)[C@H]1CCC[C@H](C1)NC(=O)C(=O)N[*:1]
CCN(CC)C(=O)CN(C)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)-c1nnn(CC(=O)N(C)C[*:1])n1
CCN(CC)C(=O)CN(C)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 CCN(CC)C(=O)C[*:1] Cc1ccc(cc1)-c1nnn(CC(=O)N(C)[*:1])n1
CCN(CC)C(=O)CN(C)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)CN(C)C(=O)Cn1nnc(n1)[*:1]
O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc(cc1)S(=O)(=O)C1CCCC1
O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] O=C(Cc1csc(n1)-c1ccccc1)Nc1ccc(cc1)S(=O)(=O)[*:1]
O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 O=S(=O)(C1CCCC1)[*:1] O=C(Cc1csc(n1)-c1ccccc1)Nc1ccc(cc1)[*:1]
COCCCCC(=O)NC[C@@]1(O)CCSC1 COCCC[*:1] O=C(C[*:1])NC[C@@]1(O)CCSC1
COCCCCC(=O)NC[C@@]1(O)CCSC1 COC[*:1] O=C(CCC[*:1])NC[C@@]1(O)CCSC1
COCCCCC(=O)NC[C@@]1(O)CCSC1 COCC[*:1] O=C(CC[*:1])NC[C@@]1(O)CCSC1
COc1ccc([C@H](NC(=O)CNC(C)=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)[*:1] CC(=O)NCC(=O)N[C@H](C(=O)Nc1ccc2OCCOc2c1)[*:1]
COc1ccc([C@H](NC(=O)CNC(C)=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1 CC(=O)NCC(=O)N[*:1] COc1ccc(cc1)[C@H](C(=O)Nc1ccc2OCCOc2c1)[*:1]
COc1ccc([C@H](NC(=O)CNC(C)=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1 CC(=O)NC[*:1] COc1ccc(cc1)[C@H](NC(=O)[*:1])C(=O)Nc1ccc2OCCOc2c1
COc1ccc([C@H](NC(=O)CNC(C)=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1 c1cc2OCCOc2cc1[*:1] COc1ccc(cc1)[C@H](NC(=O)CNC(C)=O)C(=O)N[*:1]
COc1ccc([C@H](NC(=O)CNC(C)=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@H](NC(=O)C[*:1])C(=O)Nc1ccc2OCCOc2c1
COC(=O)CCCOc1cc(F)ccc1[N+](=O)[O-] COC(=O)C[*:1] O=[N+]([O-])c1ccc(F)cc1OCC[*:1]
COC(=O)CCCOc1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)CCCOc1cc(F)ccc1[*:1]
COC(=O)CCCOc1cc(F)ccc1[N+](=O)[O-] COC(=O)[*:1] O=[N+]([O-])c1ccc(F)cc1OCCC[*:1]
COC(=O)CCCOc1cc(F)ccc1[N+](=O)[O-] COC(=O)CC[*:1] O=[N+]([O-])c1ccc(F)cc1OC[*:1]
O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC[C@H]1[*:1]
Cc1cccc(CN2CCN(C(=O)CCC(=O)N(C)C)CC2)c1 Cc1cccc(c1)[*:1] CN(C)C(=O)CCC(=O)N1CCN(CC1)C[*:1]
Cc1cccc(CN2CCN(C(=O)CCC(=O)N(C)C)CC2)c1 CN(C)C(=O)[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)CC[*:1]
Cc1cccc(CN2CCN(C(=O)CCC(=O)N(C)C)CC2)c1 CN(C)C(=O)CC[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)[*:1]
Cc1cccc(CN2CCN(C(=O)CCC(=O)N(C)C)CC2)c1 CN(C)C(=O)C[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)C[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1 CCO[*:1] CC(C)(C)C(=O)N1CCc2ccc(cc21)NS(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1 CCOc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCc2ccc(cc21)NS(=O)(=O)[*:1]
COc1ccc([C@H]2C(C#N)=C(N)N([C@@H]3N=NC(C)=C3c3ccccc3)C3=C2C(=O)CCC3)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C(C#N)=C(N)N(C2CCCC(=O)C=21)[C@@H]1N=NC(C)=C1[*:1]
COc1ccc([C@H]2C(C#N)=C(N)N([C@@H]3N=NC(C)=C3c3ccccc3)C3=C2C(=O)CCC3)cc1 COc1ccc(cc1)[*:1] CC1N=N[C@H](C=1c1ccccc1)N1C(N)=C(C#N)[C@@H](C2C(=O)CCCC=21)[*:1]
C[C@H]([NH2+][C@H](CO)c1ccccc1F)c1ccc(Cl)c(Cl)c1 Fc1ccccc1[*:1] C[C@H]([NH2+][C@H](CO)[*:1])c1ccc(Cl)c(Cl)c1
COC(=O)CCN(Cc1ccncc1)C(=O)c1ccoc1C c1cc(ccn1)[*:1] COC(=O)CCN(C[*:1])C(=O)c1ccoc1C
COC(=O)CCN(Cc1ccncc1)C(=O)c1ccoc1C COC(=O)CC[*:1] Cc1occc1C(=O)N(Cc1ccncc1)[*:1]
COC(=O)CCN(Cc1ccncc1)C(=O)c1ccoc1C COC(=O)[*:1] Cc1occc1C(=O)N(CC[*:1])Cc1ccncc1
COC(=O)CCN(Cc1ccncc1)C(=O)c1ccoc1C Cc1occc1[*:1] COC(=O)CCN(Cc1ccncc1)C(=O)[*:1]
COC(=O)CCN(Cc1ccncc1)C(=O)c1ccoc1C c1cc(ccn1)C[*:1] COC(=O)CCN(C(=O)c1ccoc1C)[*:1]
COC(=O)CCN(Cc1ccncc1)C(=O)c1ccoc1C COC(=O)C[*:1] Cc1occc1C(=O)N(Cc1ccncc1)C[*:1]
CCc1nn(-c2ccccc2C)c(CC)c1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCc1nn(-c2ccccc2C)c(CC)c1C(=O)NC[*:1]
CCc1nn(-c2ccccc2C)c(CC)c1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CCc1nn(-c2ccccc2C)c(CC)c1C(=O)N[*:1]
CCc1nn(-c2ccccc2C)c(CC)c1C(=O)NC[C@@H]1CCCO1 Cc1ccccc1[*:1] CCc1nn(c(CC)c1C(=O)NC[C@@H]1CCCO1)[*:1]
CC(C)(C)OC(=O)[C@H](C(=O)[O-])[C@@H]([NH3+])c1ccc(Br)cc1 CC(C)(C)[*:1] [NH3+][C@@H](c1ccc(Br)cc1)[C@@H](C(=O)[O-])C(=O)O[*:1]
CC(C)(C)OC(=O)[C@H](C(=O)[O-])[C@@H]([NH3+])c1ccc(Br)cc1 O=C([O-])[*:1] CC(C)(C)OC(=O)[C@H]([C@@H]([NH3+])c1ccc(Br)cc1)[*:1]
C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)cc1 C=CC[*:1] Cc1cc(C(=O)NC2CC[NH+](CC2)Cc2ccc(cc2)O[*:1])c(C)o1
C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)cc1 C=CCO[*:1] Cc1cc(C(=O)NC2CC[NH+](CC2)Cc2ccc(cc2)[*:1])c(C)o1
C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)cc1 Cc1cc(c(C)o1)[*:1] C=CCOc1ccc(cc1)C[NH+]1CCC(CC1)NC(=O)[*:1]
O=C(CCCc1nc2ccccc2s1)Nc1ccccc1-n1cncn1 c1ncn(n1)[*:1] O=C(CCCc1nc2ccccc2s1)Nc1ccccc1[*:1]
Nc1nnc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2cccs2)s1 Clc1ccc(cc1)[*:1] Nc1nnc(SCC(=O)N2N=C(C[C@H]2c2cccs2)[*:1])s1
Nc1nnc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2cccs2)s1 Nc1nnc(s1)[*:1] O=C(CS[*:1])N1N=C(C[C@H]1c1cccs1)c1ccc(Cl)cc1
Nc1nnc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2cccs2)s1 c1csc(c1)[*:1] Nc1nnc(SCC(=O)N2N=C(C[C@@H]2[*:1])c2ccc(Cl)cc2)s1
Nc1nnc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2cccs2)s1 Nc1nnc(S[*:1])s1 O=C(C[*:1])N1N=C(C[C@H]1c1cccs1)c1ccc(Cl)cc1
Nc1nnc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2cccs2)s1 Nc1nnc(SC[*:1])s1 O=C(N1N=C(C[C@H]1c1cccs1)c1ccc(Cl)cc1)[*:1]
Clc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)c1 Clc1cccc(c1)[*:1] c1[nH]nc(c1C[NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(C#N)cn1C Clc1ccc(cc1)[*:1] C[C@@H]([C@H](C)[*:1])N(C)C(=O)c1cc(C#N)cn1C
C1CC[C@@H](Cc2nc(C3CC[NH2+]CC3)no2)OC1 C1CC[C@@H](OC1)[*:1] C1CC(CC[NH2+]1)c1noc(C[*:1])n1
CCOCCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F CCO[*:1] O=C(CC[*:1])N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F
CCOCCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F CCOC[*:1] O=C(C[*:1])N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F
CCOCCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F CCOCC[*:1] O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[*:1]
CCOCCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CCOCCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1[*:1]
C[C@](O)(CNC(=O)c1cc(C#N)cs1)c1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNC(=O)c1cc(C#N)cs1)[*:1]
CCOC(=O)[C@H](C)NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 CCOC(=O)[*:1] C[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCCO1 CC(C)(C)OC(=O)N[*:1] C[C@H](NC(=O)[C@@H](c1ccccc1)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[*:1]
C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCCO1 CC(C)(C)[*:1] C[C@H](NC(=O)[C@@H](NC(=O)O[*:1])c1ccccc1)[C@@H]1CCCO1
COC(=O)[C@H]1CCN(C(=O)CC(=O)[O-])C1 O=C([O-])C[*:1] COC(=O)[C@H]1CCN(C1)C(=O)[*:1]
COC(=O)[C@H]1CCN(C(=O)CC(=O)[O-])C1 COC(=O)[*:1] O=C([O-])CC(=O)N1CC[C@@H](C1)[*:1]
COC(=O)[C@H]1CCN(C(=O)CC(=O)[O-])C1 O=C([O-])[*:1] COC(=O)[C@H]1CCN(C1)C(=O)C[*:1]
COC(=O)N1CCC(CNC(=O)C(=O)N[C@@H](C)c2ccccc2)CC1 C[C@@H](c1ccccc1)[*:1] COC(=O)N1CCC(CC1)CNC(=O)C(=O)N[*:1]
COC(=O)N1CCC(CNC(=O)C(=O)N[C@@H](C)c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)N1CCC(CC1)CNC(=O)C(=O)N[C@@H](C)[*:1]
C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(Cl)c2)[C@@H](C#N)C(=O)N3)C1 C[C@H]1CCCN(C1)[*:1] N#C[C@H]1C(=O)Nc2nc([nH]c(=O)c2[C@H]1c1cccc(Cl)c1)[*:1]
C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(Cl)c2)[C@@H](C#N)C(=O)N3)C1 Clc1cccc(c1)[*:1] C[C@H]1CCCN(C1)c1nc2NC(=O)[C@H](C#N)[C@H](c2c(=O)[nH]1)[*:1]
O=[N+]([O-])c1ccc(CS(=O)(=O)NC2CCCCCCC2)cc1 O=[N+]([O-])[*:1] O=S(=O)(Cc1ccc(cc1)[*:1])NC1CCCCCCC1
C=CCC/C=C/CC[NH2+]C1CC1 C=CC[*:1] C(=C/C[*:1])\CC[NH2+]C1CC1
C=CCC/C=C/CC[NH2+]C1CC1 C1CC1[*:1] C=CCC/C=C/CC[NH2+][*:1]
C=CCC/C=C/CC[NH2+]C1CC1 C=CCC[*:1] C(=C[*:1])CC[NH2+]C1CC1
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccccc3-n3cnnn3)cc2)C1 c1nnnn1[*:1] C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(cc2)CNC(=O)c2ccccc2[*:1])C1
COCc1ccccc1NCC(=O)c1[nH]c(C)c(C(C)=O)c1C CC(=O)[*:1] COCc1ccccc1NCC(=O)c1[nH]c(C)c(c1C)[*:1]
COCc1ccccc1NCC(=O)c1[nH]c(C)c(C(C)=O)c1C COC[*:1] CC(=O)c1c(C)[nH]c(C(=O)CNc2ccccc2[*:1])c1C
CCc1nnc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2CC)s1 CCc1nnc(s1)[*:1] CCc1cc2cc(C)cc(C)c2nc1SCC(=O)N[*:1]
[NH3+]C[C@@H]1CC[C@@H](C(=O)N(CC(=O)[O-])CC(=O)[O-])O1 O=C([O-])[*:1] [NH3+]C[C@@H]1CC[C@H](O1)C(=O)N(CC(=O)[O-])C[*:1]
[NH3+]C[C@@H]1CC[C@@H](C(=O)N(CC(=O)[O-])CC(=O)[O-])O1 O=C([O-])C[*:1] [NH3+]C[C@@H]1CC[C@H](O1)C(=O)N(CC(=O)[O-])[*:1]
O=C(Nc1ccnn1Cc1cccs1)c1ccc(OC[C@@H]2CCCO2)cc1 c1csc(c1)[*:1] O=C(Nc1ccnn1C[*:1])c1ccc(cc1)OC[C@@H]1CCCO1
O=C(Nc1ccnn1Cc1cccs1)c1ccc(OC[C@@H]2CCCO2)cc1 c1csc(c1)C[*:1] O=C(Nc1ccnn1[*:1])c1ccc(cc1)OC[C@@H]1CCCO1
O=C(Nc1ccnn1Cc1cccs1)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)CO[*:1] O=C(Nc1ccnn1Cc1cccs1)c1ccc(cc1)[*:1]
O=C1NC(=O)[C@H](Cc2ccc(-n3cccn3)cc2)S1 c1cnn(c1)[*:1] O=C1NC(=O)[C@H](Cc2ccc(cc2)[*:1])S1
CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1nc(-c2ccco2)no1 CCC[*:1] C[C@H]1CCCN(C(=O)CCc2nc(no2)-c2ccco2)[C@H]1[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1nc(-c2ccco2)no1 c1coc(c1)[*:1] CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1nc(no1)[*:1]
C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[*:1]
O=C1NCCCC[C@@H]1Sc1nnc(-c2cccnc2)n1Cc1ccccc1 c1cncc(c1)[*:1] O=C1NCCCC[C@@H]1Sc1nnc(n1Cc1ccccc1)[*:1]
O=C1NCCCC[C@@H]1Sc1nnc(-c2cccnc2)n1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1NCCCC[C@@H]1Sc1nnc(-c2cccnc2)n1C[*:1]
O=C1NCCCC[C@@H]1Sc1nnc(-c2cccnc2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1NCCCC[C@@H]1Sc1nnc(-c2cccnc2)n1[*:1]
CCC[C@](C)(NC(=O)c1nc(C(C)C)n[nH]1)C(=O)[O-] CC(C)[*:1] CCC[C@](C)(NC(=O)c1nc(n[nH]1)[*:1])C(=O)[O-]
CCC[C@](C)(NC(=O)c1nc(C(C)C)n[nH]1)C(=O)[O-] CCC[*:1] CC(C)c1n[nH]c(n1)C(=O)N[C@@](C)(C(=O)[O-])[*:1]
CCC[C@](C)(NC(=O)c1nc(C(C)C)n[nH]1)C(=O)[O-] O=C([O-])[*:1] CCC[C@](C)(NC(=O)c1nc(n[nH]1)C(C)C)[*:1]
Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H](NCc1cc(-c3ccccc3)on1)C2 c1ccc(cc1)[*:1] Cn1nc(C(=O)N2CCc3ccccc3C2)c2C[C@H](CCc21)NCc1cc(on1)[*:1]
Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H](NCc1cc(-c3ccccc3)on1)C2 c1ccc(cc1)-c1cc(no1)[*:1] Cn1nc(C(=O)N2CCc3ccccc3C2)c2C[C@H](CCc21)NC[*:1]
COc1ccc(C(=O)NCc2ccccc2Cl)cc1CN1CC(=O)N2CCC[C@@H]2C1=O Clc1ccccc1C[*:1] COc1ccc(cc1CN1CC(=O)N2CCC[C@@H]2C1=O)C(=O)N[*:1]
COc1ccc(C(=O)NCc2ccccc2Cl)cc1CN1CC(=O)N2CCC[C@@H]2C1=O Clc1ccccc1[*:1] COc1ccc(cc1CN1CC(=O)N2CCC[C@@H]2C1=O)C(=O)NC[*:1]
CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2ccccc2c1=O Fc1ccc(c(Cl)c1)[*:1] CCn1c(nc2ccccc2c1=O)S[C@H](C)C(=O)N[*:1]
O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(CC1)[*:1]
O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccccc2F)CC1 Clc1ccc(Cl)c(c1)[*:1] O=C(CNS(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1F
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(OCc3cscn3)cc2)c1 c1nc(cs1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)c1ccc(cc1)OC[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(OCc3cscn3)cc2)c1 c1nc(cs1)C[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)c1ccc(cc1)O[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(OCc3cscn3)cc2)c1 c1nc(cs1)CO[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(OCc3cscn3)cc2)c1 COc1ccc(OC)c(c1)[*:1] O=C(c1ccc(cc1)OCc1cscn1)N1CCC[C@H]1[*:1]
C[C@@H]1CN(C2CCN(CCO[C@@H]3CCCC[C@H]3C)CC2)CCO1 C[C@@H]1CN(CCO1)[*:1] C[C@@H]1CCCC[C@H]1OCCN1CCC(CC1)[*:1]
C[C@@H]1CN(C2CCN(CCO[C@@H]3CCCC[C@H]3C)CC2)CCO1 C[C@@H]1CCCC[C@H]1[*:1] C[C@@H]1CN(CCO1)C1CCN(CCO[*:1])CC1
CCC(C)(C)NC(=O)CNc1cccc(C(=O)N2CCC[C@H](O)C2)c1 CCC(C)(C)[*:1] O=C(CNc1cccc(c1)C(=O)N1CCC[C@H](O)C1)N[*:1]
CCC(C)(C)NC(=O)CNc1cccc(C(=O)N2CCC[C@H](O)C2)c1 CCC(C)(C)NC(=O)[*:1] O=C(c1cccc(c1)NC[*:1])N1CCC[C@H](O)C1
Cc1ccc2ncc(C(=O)N[C@@H](C)c3nc(C4CCCCC4)no3)n2c1 C1CCC(CC1)[*:1] Cc1ccc2ncc(C(=O)N[C@@H](C)c3nc(no3)[*:1])n2c1
CCOc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1 c1cncc(c1)[*:1] CCOc1ccc(cc1)CN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1[*:1]
CCOc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1 CCOc1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1
CCOc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1 CCO[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1
C=CCOCC1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 C=CCO[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C[*:1]
C=CCOCC1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 C=CC[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)CO[*:1]
C=CCOCC1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 C=CCOC[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F Fc1cccc(F)c1[*:1] CNC(=O)c1cc(C)ccc1NC(=O)[C@H]1C[C@H]1[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F CNC(=O)[*:1] Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c(c1)[*:1]
Cc1cc(F)cc2c(NC[C@H](O)c3ccsc3)c(C#N)cnc12 c1cc(cs1)[*:1] Cc1cc(F)cc2c(NC[C@H](O)[*:1])c(C#N)cnc12
Cc1cc(F)cc2c(NC[C@H](O)c3ccsc3)c(C#N)cnc12 O[C@H](c1ccsc1)[*:1] Cc1cc(F)cc2c(NC[*:1])c(C#N)cnc12
COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)cc1OC Cc1cc(no1)[*:1] COc1ccc(cc1OC)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(no1)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1[*:1]
COc1cc(/C=C/C(=O)Nc2cc(F)c(F)cc2F)ccc1OC(C)C CC(C)O[*:1] COc1cc(/C=C/C(=O)Nc2cc(F)c(F)cc2F)ccc1[*:1]
COc1cc(/C=C/C(=O)Nc2cc(F)c(F)cc2F)ccc1OC(C)C CC(C)[*:1] COc1cc(/C=C/C(=O)Nc2cc(F)c(F)cc2F)ccc1O[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)[*:1]
CC(C)NC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 CC(C)[*:1] C[C@H]1C[C@H](c2cccc(F)c2)N(C1)C(=O)N[*:1]
CC(=O)N1CCc2cc(NC(=O)C(=O)c3c(C)nn(C)c3C)ccc21 Cc1nn(C)c(C)c1[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)C(=O)[*:1]
O=C(NCCn1ccc2ccc(Br)cc21)[C@H](c1ccccc1)n1cnnn1 c1ccc(cc1)[*:1] O=C(NCCn1ccc2ccc(Br)cc21)[C@H](n1cnnn1)[*:1]
O=C(NCCn1ccc2ccc(Br)cc21)[C@H](c1ccccc1)n1cnnn1 c1nnnn1[*:1] O=C(NCCn1ccc2ccc(Br)cc21)[C@H](c1ccccc1)[*:1]
Cc1c(NC(=O)CC[NH+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)CC[NH+]1CCC(C)(C)C1
CCCC(=O)N1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 CCC[*:1] COc1ccc2cc(ccc2c1)[C@@H]1CN(CCO1)C(=O)[*:1]
[NH3+][C@H]1C=C[C@H](C(=O)Nc2ccccc2OCC(F)(F)F)C1 FC(F)(F)C[*:1] [NH3+][C@H]1C=C[C@@H](C1)C(=O)Nc1ccccc1O[*:1]
[NH3+][C@H]1C=C[C@H](C(=O)Nc2ccccc2OCC(F)(F)F)C1 FC(F)(F)[*:1] [NH3+][C@H]1C=C[C@@H](C1)C(=O)Nc1ccccc1OC[*:1]
[NH3+][C@H]1C=C[C@H](C(=O)Nc2ccccc2OCC(F)(F)F)C1 FC(F)(F)CO[*:1] [NH3+][C@H]1C=C[C@@H](C1)C(=O)Nc1ccccc1[*:1]
C[NH2+]C1CCC2(CC1)C[NH+](Cc1ccccn1)Cc1ccccc1O2 c1ccc(C[*:1])nc1 C[NH2+]C1CCC2(CC1)C[NH+](Cc1ccccc1O2)[*:1]
C[NH2+]C1CCC2(CC1)C[NH+](Cc1ccccn1)Cc1ccccc1O2 c1ccc(nc1)[*:1] C[NH2+]C1CCC2(CC1)C[NH+](Cc1ccccc1O2)C[*:1]
Cc1cccc(OCCN2CCC([NH+]3CCCC3)CC2)c1 Cc1cccc(c1)[*:1] C1CC[NH+](C1)C1CCN(CCO[*:1])CC1
CCOC(=O)[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 c1csc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 CCOC(=O)[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C1)[*:1])c1cccs1
CCN(CC(C)(C)O)S(=O)(=O)c1cc(C)ccc1C CC(C)(O)C[*:1] CCN(S(=O)(=O)c1cc(C)ccc1C)[*:1]
CCN(CC(C)(C)O)S(=O)(=O)c1cc(C)ccc1C CC(C)(O)[*:1] CCN(C[*:1])S(=O)(=O)c1cc(C)ccc1C
C[C@H](CCCO)NC(=O)/C=C/c1cc(Br)ccc1F OCCC[*:1] C[C@H](NC(=O)/C=C/c1cc(Br)ccc1F)[*:1]
C[C@H](CCCO)NC(=O)/C=C/c1cc(Br)ccc1F C[C@H](CCCO)[*:1] O=C(/C=C/c1cc(Br)ccc1F)N[*:1]
C[C@H](CCCO)NC(=O)/C=C/c1cc(Br)ccc1F OCC[*:1] C[C@H](C[*:1])NC(=O)/C=C/c1cc(Br)ccc1F
CCCc1nnc(NC(=O)c2cc(C)nn2CC)s1 CCC[*:1] CCn1nc(C)cc1C(=O)Nc1nnc(s1)[*:1]
C[C@@H](NC[C@H](O)c1ccccc1Cl)c1cccc(-c2ccncc2)c1 Clc1ccccc1[*:1] C[C@@H](NC[C@H](O)[*:1])c1cccc(c1)-c1ccncc1
C[C@@H](NC[C@H](O)c1ccccc1Cl)c1cccc(-c2ccncc2)c1 c1cc(ccn1)[*:1] C[C@@H](NC[C@H](O)c1ccccc1Cl)c1cccc(c1)[*:1]
O=C(Cc1csc(COc2ccccc2)n1)NCc1ccc2c(c1)OCO2 c1ccc(cc1)OC[*:1] O=C(Cc1csc(n1)[*:1])NCc1ccc2OCOc2c1
O=C(Cc1csc(COc2ccccc2)n1)NCc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(Cc1csc(CO[*:1])n1)NCc1ccc2OCOc2c1
O=C(Cc1csc(COc2ccccc2)n1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Cc1csc(COc2ccccc2)n1)NC[*:1]
O=C(Cc1csc(COc2ccccc2)n1)NCc1ccc2c(c1)OCO2 c1ccc(cc1)O[*:1] O=C(Cc1csc(C[*:1])n1)NCc1ccc2OCOc2c1
O=C1O[C@@H](C(=O)NCc2cccc(NC(=O)C3CCC3)c2)Cc2ccccc21 C1CC(C1)[*:1] O=C1O[C@H](Cc2ccccc21)C(=O)NCc1cccc(c1)NC(=O)[*:1]
O=C1O[C@@H](C(=O)NCc2cccc(NC(=O)C3CCC3)c2)Cc2ccccc21 O=C(N[*:1])C1CCC1 O=C1O[C@H](Cc2ccccc21)C(=O)NCc1cccc(c1)[*:1]
COc1cc(C)c(C(=O)Nc2ccc(-c3nnc(C)o3)cc2)cc1OC Cc1nnc(o1)[*:1] COc1cc(C)c(cc1OC)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](NC(=O)N(Cc1ccc(F)cc1)C1CC1)c1c(C)nn(C)c1C Fc1ccc(cc1)C[*:1] CC[C@@H](NC(=O)N(C1CC1)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)N(Cc1ccc(F)cc1)C1CC1)c1c(C)nn(C)c1C C1CC1[*:1] CC[C@@H](NC(=O)N(Cc1ccc(F)cc1)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)N(Cc1ccc(F)cc1)C1CC1)c1c(C)nn(C)c1C Fc1ccc(cc1)[*:1] CC[C@@H](NC(=O)N(C[*:1])C1CC1)c1c(C)nn(C)c1C
CC[C@@H](NC(=O)N(Cc1ccc(F)cc1)C1CC1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)N(Cc1ccc(F)cc1)C1CC1)[*:1]
O=C(CSc1ccccc1F)Nc1ccccc1C(=O)NCc1ccco1 Fc1ccccc1[*:1] O=C(CS[*:1])Nc1ccccc1C(=O)NCc1ccco1
O=C(CSc1ccccc1F)Nc1ccccc1C(=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(CSc1ccccc1F)Nc1ccccc1C(=O)N[*:1]
O=C(CSc1ccccc1F)Nc1ccccc1C(=O)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=C(CSc1ccccc1F)Nc1ccccc1[*:1]
O=C(CSc1ccccc1F)Nc1ccccc1C(=O)NCc1ccco1 Fc1ccccc1S[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NCc1ccco1
O=C(CSc1ccccc1F)Nc1ccccc1C(=O)NCc1ccco1 Fc1ccccc1SC[*:1] O=C(NCc1ccco1)c1ccccc1NC(=O)[*:1]
O=C(CSc1ccccc1F)Nc1ccccc1C(=O)NCc1ccco1 c1coc(c1)[*:1] O=C(CSc1ccccc1F)Nc1ccccc1C(=O)NC[*:1]
COC(=O)COc1ccc(OC)c(N)c1 COC(=O)C[*:1] COc1ccc(cc1N)O[*:1]
COC(=O)COc1ccc(OC)c(N)c1 COC(=O)[*:1] COc1ccc(cc1N)OC[*:1]
CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 c1csc(c1)[*:1] CC[NH+](CC)CC(=O)N1N=C(C[C@@H]1c1ccc(F)cc1)[*:1]
CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[NH+](CC)CC(=O)N1N=C(C[C@H]1[*:1])c1cccs1
CCCc1nn(C)c2c1nc([C@H](C)Cl)n2CCS(C)(=O)=O CCC[*:1] C[C@H](Cl)c1nc2c(nn(C)c2n1CCS(C)(=O)=O)[*:1]
CCCc1nn(C)c2c1nc([C@H](C)Cl)n2CCS(C)(=O)=O C[C@H](Cl)[*:1] CCCc1nn(C)c2c1nc(n2CCS(C)(=O)=O)[*:1]
CCCc1nn(C)c2c1nc([C@H](C)Cl)n2CCS(C)(=O)=O CS(=O)(=O)[*:1] CCCc1nn(C)c2c1nc([C@H](C)Cl)n2CC[*:1]
CCCc1nn(C)c2c1nc([C@H](C)Cl)n2CCS(C)(=O)=O CS(=O)(=O)C[*:1] CCCc1nn(C)c2c1nc([C@H](C)Cl)n2C[*:1]
CCCc1nn(C)c2c1nc([C@H](C)Cl)n2CCS(C)(=O)=O CS(=O)(=O)CC[*:1] CCCc1nn(C)c2c1nc([C@H](C)Cl)n2[*:1]
Cc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)c3ccco3)c3cc(Cl)ccc32)c1 c1coc(c1)[*:1] Cc1cccc(c1)CN1C(=O)[C@]2(SCCN2C(=O)[*:1])c2cc(Cl)ccc21
Cc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)c3ccco3)c3cc(Cl)ccc32)c1 Cc1cccc(c1)[*:1] O=C(c1ccco1)N1CCS[C@]12C(=O)N(C[*:1])c1ccc(Cl)cc12
Cc1cccc(CN2C(=O)[C@]3(SCCN3C(=O)c3ccco3)c3cc(Cl)ccc32)c1 Cc1cccc(c1)C[*:1] O=C(c1ccco1)N1CCS[C@]12C(=O)N(c1ccc(Cl)cc12)[*:1]
COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccc(F)cc1 COC(=O)[*:1] CC1Nc2[nH]c(=S)[nH]c(=O)c2[C@@H](C=1[*:1])c1ccc(F)cc1
COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1[*:1]
COc1ccc(-c2nc(C)c(C(=O)Nc3nc4ccc(F)cc4s3)s2)cc1 COc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)Nc1nc2ccc(F)cc2s1)[*:1]
Cc1cccc(-c2nnc(SC[C@H](O)CO)n2C)c1 OC[C@@H](O)C[*:1] Cc1cccc(c1)-c1nnc(S[*:1])n1C
Cc1cccc(-c2nnc(SC[C@H](O)CO)n2C)c1 OC[C@@H](O)[*:1] Cc1cccc(c1)-c1nnc(SC[*:1])n1C
Cc1cccc(-c2nnc(SC[C@H](O)CO)n2C)c1 OC[C@@H](O)CS[*:1] Cc1cccc(c1)-c1nnc(n1C)[*:1]
CC(C)[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](NC(=O)Cc1coc2cc3CCCc3cc12)[*:1]
CC(C)[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)N1CCCC1 CC(C)[*:1] O=C(Cc1coc2cc3CCCc3cc12)N[C@H](C(=O)N1CCCC1)[*:1]
Cn1ncc2c(N3CCN(c4ccccc4)CC3)nc(NCCCn3ccnc3)nc21 c1cn(cn1)CCC[*:1] Cn1ncc2c(nc(nc21)N[*:1])N1CCN(CC1)c1ccccc1
Cn1ncc2c(N3CCN(c4ccccc4)CC3)nc(NCCCn3ccnc3)nc21 c1ccc(cc1)[*:1] Cn1ncc2c(nc(nc21)NCCCn1ccnc1)N1CCN(CC1)[*:1]
Cn1ncc2c(N3CCN(c4ccccc4)CC3)nc(NCCCn3ccnc3)nc21 c1cn(cn1)C[*:1] Cn1ncc2c(nc(nc21)NCC[*:1])N1CCN(CC1)c1ccccc1
Cn1ncc2c(N3CCN(c4ccccc4)CC3)nc(NCCCn3ccnc3)nc21 c1cn(cn1)CC[*:1] Cn1ncc2c(nc(nc21)NC[*:1])N1CCN(CC1)c1ccccc1
Cn1ncc2c(N3CCN(c4ccccc4)CC3)nc(NCCCn3ccnc3)nc21 c1cn(cn1)CCCN[*:1] Cn1ncc2c(nc(nc21)[*:1])N1CCN(CC1)c1ccccc1
Cn1ncc2c(N3CCN(c4ccccc4)CC3)nc(NCCCn3ccnc3)nc21 c1cn(cn1)[*:1] Cn1ncc2c(nc(nc21)NCCC[*:1])N1CCN(CC1)c1ccccc1
CCNC(=O)NC(=O)[C@@H](C)Oc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCNC(=O)NC(=O)[C@@H](C)Oc1cccc(c1)[*:1]
O=C(Oc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccccc1F Fc1ccccc1[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1cccc(c1)OC(=O)[*:1]
C#CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 O=[N+]([O-])[*:1] C#CCN1CCN(CC1)S(=O)(=O)c1cc(ccc1OC)[*:1]
C#CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 C#CC[*:1] COc1ccc(cc1S(=O)(=O)N1CCN(CC1)[*:1])[N+](=O)[O-]
O=C(NCc1cc(=O)[nH]c2ccccc12)Nc1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)Nc1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc([N+](=O)[O-])ccc3n2C)cc1 O=[N+]([O-])[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)/N=c1\sc2cc(ccc2n1C)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc([N+](=O)[O-])ccc3n2C)cc1 CN(C)S(=O)(=O)[*:1] Cn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cc(ccc21)[N+](=O)[O-]
CCc1ccc([C@@H](C)NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)N1CC[C@@](O)(C1)[*:1]
O=C(CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)NC[*:1]
O=C(CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)N[*:1]
O=C(CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)NCc1ccccc1 Clc1ccc(c(Cl)c1)[*:1] O=C(CNC(=O)C(=O)N[*:1])NCc1ccccc1
C[C@H](O)CN(C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C C[C@H](O)C[*:1] CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[*:1]
C[C@H](O)CN(C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C C[C@H](O)[*:1] CN(C[*:1])C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C
C[C@H](O)CN(C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C C1CCC(CC1)[*:1] C[C@H](O)CN(C)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CNC(=O)c1ccc(N[C@@H](c2ccccn2)C(C)C)c([N+](=O)[O-])c1 CNC(=O)[*:1] CC(C)[C@@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])c1ccccn1
CNC(=O)c1ccc(N[C@@H](c2ccccn2)C(C)C)c([N+](=O)[O-])c1 c1ccc(nc1)[*:1] CNC(=O)c1ccc(N[C@@H](C(C)C)[*:1])c(c1)[N+](=O)[O-]
CNC(=O)c1ccc(N[C@@H](c2ccccn2)C(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(N[C@@H](c2ccccn2)C(C)C)c(c1)[*:1]
CNC(=O)c1ccc(N[C@@H](c2ccccn2)C(C)C)c([N+](=O)[O-])c1 CC(C)[*:1] CNC(=O)c1ccc(N[C@@H](c2ccccn2)[*:1])c(c1)[N+](=O)[O-]
CC[C@@H](C)n1ncc(C(=O)OCC2CCOCC2)c1C1CC1 C1CC(CCO1)[*:1] CC[C@@H](C)n1ncc(C(=O)OC[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)OCC2CCOCC2)c1C1CC1 CC[C@@H](C)[*:1] O=C(OCC1CCOCC1)c1cnn(c1C1CC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)OCC2CCOCC2)c1C1CC1 C1CC(CCO1)C[*:1] CC[C@@H](C)n1ncc(C(=O)O[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)OCC2CCOCC2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)OCC2CCOCC2)c1[*:1]
Cc1cnc(NC(=O)c2[nH]nc(C(C)C)c2Br)s1 CC(C)[*:1] Cc1cnc(NC(=O)c2[nH]nc(c2Br)[*:1])s1
Cc1cnc(NC(=O)c2[nH]nc(C(C)C)c2Br)s1 Cc1cnc(s1)[*:1] CC(C)c1n[nH]c(C(=O)N[*:1])c1Br
COC[C@@H](C)NC(=O)c1cncn1-c1ccc(F)cc1 COC[*:1] C[C@@H](NC(=O)c1cncn1-c1ccc(F)cc1)[*:1]
COC[C@@H](C)NC(=O)c1cncn1-c1ccc(F)cc1 COC[C@@H](C)[*:1] O=C(N[*:1])c1cncn1-c1ccc(F)cc1
C[C@H](O)[C@@H]([NH3+])CNC(=O)[C@@H]1Cc2ccccc2S1 C[C@H](O)[*:1] [NH3+][C@@H](CNC(=O)[C@@H]1Cc2ccccc2S1)[*:1]
CN(Cc1nccs1)C(=O)c1ccn(C)c(=O)c1 c1csc(C[*:1])n1 CN(C(=O)c1ccn(C)c(=O)c1)[*:1]
CN(Cc1nccs1)C(=O)c1ccn(C)c(=O)c1 c1csc(n1)[*:1] CN(C[*:1])C(=O)c1ccn(C)c(=O)c1
CC(=O)c1ccc(NC(=O)N2CCN(C(=O)C3CCCCC3)[C@@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1 CC(=O)[*:1] O=C1NCCC[C@@H]1NC(=O)[C@H]1CN(CCN1C(=O)C1CCCCC1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)N2CCN(C(=O)C3CCCCC3)[C@@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1 C1CCC(CC1)[*:1] CC(=O)c1ccc(cc1)NC(=O)N1CCN(C(=O)[*:1])[C@H](C1)C(=O)N[C@H]1CCCNC1=O
CC(=O)c1ccc(NC(=O)N2CCN(C(=O)C3CCCCC3)[C@@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C1NCCC[C@@H]1NC(=O)[C@H]1CN(CCN1C(=O)C1CCCCC1)C(=O)N[*:1]
CCCCO[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 CCC[*:1] C[C@H](OC[*:1])C(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1
CCCCO[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 CCCCO[*:1] C[C@@H](C(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1)[*:1]
CCCCO[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 CCCC[*:1] C[C@H](O[*:1])C(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1
CNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)[*:1]
CNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 CNC(=O)[*:1] O=S(=O)(c1ccc(Cl)cc1)N(Cc1c(F)cccc1Cl)C[*:1]
CNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 CNC(=O)C[*:1] O=S(=O)(c1ccc(Cl)cc1)N(Cc1c(F)cccc1Cl)[*:1]
CNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 Fc1cccc(Cl)c1[*:1] CNC(=O)CN(C[*:1])S(=O)(=O)c1ccc(Cl)cc1
O=C(CNC(=O)NCc1cccc(Cn2cncn2)c1)NC1CC1 C1CC1[*:1] O=C(CNC(=O)NCc1cccc(c1)Cn1cncn1)N[*:1]
O=C(CNC(=O)NCc1cccc(Cn2cncn2)c1)NC1CC1 c1ncn(n1)[*:1] O=C(CNC(=O)NCc1cccc(c1)C[*:1])NC1CC1
O=C(CNC(=O)NCc1cccc(Cn2cncn2)c1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(NCc1cccc(c1)Cn1cncn1)N[*:1]
O=C(CNC(=O)NCc1cccc(Cn2cncn2)c1)NC1CC1 c1ncn(C[*:1])n1 O=C(CNC(=O)NCc1cccc(c1)[*:1])NC1CC1
O=C(CNC(=O)NCc1cccc(Cn2cncn2)c1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NCc1cccc(c1)Cn1cncn1)NC[*:1]
CN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccccc1C(=O)[O-] O=C([O-])[*:1] CN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccccc1[*:1]
CN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccccc1C(=O)[O-] c1ccc(cc1)[*:1] CN1C(=O)C(=C[*:1])S/C1=N\c1ccccc1C(=O)[O-]
CC[C@@](C)(C(=O)Cc1ccn(C2CCCCC2)n1)[NH+](C)C C1CCC(CC1)[*:1] CC[C@@](C)(C(=O)Cc1ccn(n1)[*:1])[NH+](C)C
O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc2c(F)cc(Br)cc2[nH]1 O=C(N1CCOCC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2c(F)cc(Br)cc2[nH]1
c1cc(CC[NH2+][C@H]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cs1 c1cc(cs1)C[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCCC[C@@H]1[NH2+]C[*:1]
c1cc(CC[NH2+][C@H]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cs1 c1cc(cs1)[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCCC[C@@H]1[NH2+]CC[*:1]
N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1C[C@@H]1[NH3+] FC(F)(F)[*:1] N#Cc1ccc(nc1N[C@@H]1C[C@@H]1[NH3+])[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4cccnc34)cc2)C1 c1cnc2c(cccc2c1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1Cc1ccccc1 Cc1cccc(C)c1[*:1] CN(CC(=O)N[*:1])C(=O)c1ccccc1Cc1ccccc1
Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1[*:1]
Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1C[*:1]
COC(=O)c1cccc([N+](=O)[O-])c1NC(=O)OC(C)(C)C O=[N+]([O-])[*:1] COC(=O)c1cccc(c1NC(=O)OC(C)(C)C)[*:1]
COC(=O)c1cccc([N+](=O)[O-])c1NC(=O)OC(C)(C)C COC(=O)[*:1] CC(C)(C)OC(=O)Nc1c(cccc1[*:1])[N+](=O)[O-]
COC(=O)c1cccc([N+](=O)[O-])c1NC(=O)OC(C)(C)C CC(C)(C)[*:1] COC(=O)c1cccc(c1NC(=O)O[*:1])[N+](=O)[O-]
O=S(=O)(c1ccc(NCc2ccc(F)cc2C(F)(F)F)nc1)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Fc1ccc(CNc2ccc(cn2)[*:1])c(c1)C(F)(F)F
O=S(=O)(c1ccc(NCc2ccc(F)cc2C(F)(F)F)nc1)N1CCOCC1 FC(F)(F)[*:1] O=S(=O)(c1ccc(nc1)NCc1ccc(F)cc1[*:1])N1CCOCC1
O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccccc1Cl Clc1ccccc1[*:1] O=c1c2ccc(Cl)cc2nc2C(=C[*:1])CCn21
Cc1cc(C(=O)Nc2[nH]ncc2C(N)=O)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)Nc1[nH]ncc1C(N)=O
Cc1cc(C(=O)Nc2[nH]ncc2C(N)=O)nn1-c1ccccc1 NC(=O)[*:1] Cc1cc(nn1-c1ccccc1)C(=O)Nc1[nH]ncc1[*:1]
CN(C)c1ccc(C(=O)N2CCc3cn(C)c4cccc(c34)C2)cc1 CN(C)[*:1] Cn1cc2CCN(Cc3cccc1c23)C(=O)c1ccc(cc1)[*:1]
COC(=O)c1nn(C)c(C)c1NC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1nn(C)c(C)c1NC(=O)C[*:1]
COC(=O)c1nn(C)c(C)c1NC(=O)Cc1ccc(F)cc1 COC(=O)[*:1] Cc1c(NC(=O)Cc2ccc(F)cc2)c(nn1C)[*:1]
O=C(NNC(=O)c1cccc(Br)c1)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(NNC(=O)c1cccc(Br)c1)N[*:1]
C[NH+](C)C[C@H]1CCCCN1C(=O)CCc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)C[C@H]1CCCCN1C(=O)CCc1nncn1[*:1]
NC(=O)[C@@H]1COCCN1Cc1ccc(Cl)nc1 NC(=O)[*:1] Clc1ccc(cn1)CN1CCOC[C@H]1[*:1]
Cc1cc(=O)n2cccc(OS(C)(=O)=O)c2n1 CS(=O)(=O)O[*:1] Cc1cc(=O)n2cccc(c2n1)[*:1]
CC(C)CN(C(=O)Nc1ccc(NC(=O)C(C)C)cc1)C1CC1 CC(C)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)N(C[*:1])C1CC1
CC(C)CN(C(=O)Nc1ccc(NC(=O)C(C)C)cc1)C1CC1 CC(C)C[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)N(C1CC1)[*:1]
CC(C)CN(C(=O)Nc1ccc(NC(=O)C(C)C)cc1)C1CC1 CC(C)C(=O)N[*:1] CC(C)CN(C(=O)Nc1ccc(cc1)[*:1])C1CC1
CC(C)CN(C(=O)Nc1ccc(NC(=O)C(C)C)cc1)C1CC1 CC(C)[*:1] CC(C)CN(C(=O)Nc1ccc(cc1)NC(=O)[*:1])C1CC1
CC(C)CN(C(=O)Nc1ccc(NC(=O)C(C)C)cc1)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)Nc1ccc(cc1)NC(=O)C(C)C)[*:1]
Cc1ccc(C(=O)NCCN(CCO)C(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NCCN(CCO)C(=O)[*:1]
Cc1ccc(C(=O)NCCN(CCO)C(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N(CCO)CCNC(=O)[*:1]
Cc1ccc(C(=O)NCCN(CCO)C(=O)c2ccc(C)cc2)cc1 OCC[*:1] Cc1ccc(cc1)C(=O)NCCN(C(=O)c1ccc(C)cc1)[*:1]
CCCc1cc(NC(=O)C(=O)N2CCC[C@@H](CCC(C)C)C2)n(C)n1 CCC[*:1] CC(C)CC[C@@H]1CCCN(C1)C(=O)C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)C(=O)N2CCC[C@@H](CCC(C)C)C2)n(C)n1 CC(C)[*:1] CCCc1cc(NC(=O)C(=O)N2CCC[C@@H](CC[*:1])C2)n(C)n1
CCCc1cc(NC(=O)C(=O)N2CCC[C@@H](CCC(C)C)C2)n(C)n1 CC(C)CC[*:1] CCCc1cc(NC(=O)C(=O)N2CCC[C@@H](C2)[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N2CCC[C@@H](CCC(C)C)C2)n(C)n1 CC(C)C[*:1] CCCc1cc(NC(=O)C(=O)N2CCC[C@H](C2)C[*:1])n(C)n1
CNC(=O)CNc1cccc(C(=O)N2CCC(C)CC2)c1 CNC(=O)CN[*:1] CC1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CNC(=O)CNc1cccc(C(=O)N2CCC(C)CC2)c1 CNC(=O)C[*:1] CC1CCN(CC1)C(=O)c1cccc(c1)N[*:1]
CNC(=O)CNc1cccc(C(=O)N2CCC(C)CC2)c1 CNC(=O)[*:1] CC1CCN(CC1)C(=O)c1cccc(c1)NC[*:1]
C[C@H](O)Cc1ccc(-c2ccc(Cl)c(Br)c2)o1 C[C@H](O)[*:1] Clc1ccc(cc1Br)-c1ccc(C[*:1])o1
C[C@H](O)Cc1ccc(-c2ccc(Cl)c(Br)c2)o1 C[C@H](O)C[*:1] Clc1ccc(cc1Br)-c1ccc(o1)[*:1]
O=C1CCCN1CC[C@H]1CN(Cc2ccc(F)c(F)c2)c2ccccc21 O=C1CCCN1C[*:1] Fc1ccc(cc1F)CN1C[C@H](C[*:1])c2ccccc21
O=C1CCCN1CC[C@H]1CN(Cc2ccc(F)c(F)c2)c2ccccc21 Fc1ccc(cc1F)[*:1] O=C1CCCN1CC[C@H]1CN(C[*:1])c2ccccc21
O=C1CCCN1CC[C@H]1CN(Cc2ccc(F)c(F)c2)c2ccccc21 O=C1CCCN1CC[*:1] Fc1ccc(cc1F)CN1C[C@@H](c2ccccc21)[*:1]
O=C1CCCN1CC[C@H]1CN(Cc2ccc(F)c(F)c2)c2ccccc21 O=C1CCCN1[*:1] Fc1ccc(cc1F)CN1C[C@H](CC[*:1])c2ccccc21
CCn1cnnc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 CCn1cnnc1C[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)[N-]c1ccncc1
CCn1cnnc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 CCn1cnnc1[*:1] O=C(NC[*:1])c1ccc(cc1)S(=O)(=O)[N-]c1ccncc1
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1 Brc1cccc(c1)[*:1] COC(=O)[C@H](NC(=O)[C@H]1C[C@H]1[*:1])c1ccccc1
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)[*:1]
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1 COC(=O)[*:1] O=C(N[C@H](c1ccccc1)[*:1])[C@H]1C[C@@H]1c1cccc(Br)c1
COCC(=O)N1CCC[C@H](c2cccc(Nc3nc(C)cc(C)n3)n2)C1 Cc1cc(C)nc(n1)[*:1] COCC(=O)N1CCC[C@@H](C1)c1cccc(n1)N[*:1]
COCC(=O)N1CCC[C@H](c2cccc(Nc3nc(C)cc(C)n3)n2)C1 COC[*:1] Cc1cc(C)nc(n1)Nc1cccc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCCC[C@H]1C(N)=O c1cc(co1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCCC[C@H]1C(N)=O
C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCCC[C@H]1C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCCC[C@@H]1[*:1]
CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(C#N)cc3)C(=O)O2)c1 N#Cc1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)c1cccc(c1)C1=NC(=C[*:1])C(=O)O1
CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(C#N)cc3)C(=O)O2)c1 CCN(CC)S(=O)(=O)[*:1] N#Cc1ccc(/C=C2/N=C(OC2=O)c2cccc(c2)[*:1])cc1
CCn1nc(C)c(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)c1C C1C[C@@H](CO1)C[*:1] CCn1nc(C)c(c1C)S(=O)(=O)N1CCN(CC1)[*:1]
O=C([O-])[C@H](Oc1cccc([N+](=O)[O-])c1)c1ccccc1 O=C([O-])[*:1] O=[N+]([O-])c1cccc(c1)O[C@H](c1ccccc1)[*:1]
O=C([O-])[C@H](Oc1cccc([N+](=O)[O-])c1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H](Oc1cccc(c1)[N+](=O)[O-])[*:1]
O=C([O-])[C@H](Oc1cccc([N+](=O)[O-])c1)c1ccccc1 O=[N+]([O-])[*:1] O=C([O-])[C@H](Oc1cccc(c1)[*:1])c1ccccc1
O=C(CSCc1cc(-c2cccs2)on1)NCC1(O)CCOCC1 OC1(CCOCC1)[*:1] O=C(CSCc1cc(on1)-c1cccs1)NC[*:1]
O=C(CSCc1cc(-c2cccs2)on1)NCC1(O)CCOCC1 c1csc(c1)[*:1] O=C(CSCc1cc(on1)[*:1])NCC1(O)CCOCC1
O=C(CSCc1cc(-c2cccs2)on1)NCC1(O)CCOCC1 OC1(CCOCC1)C[*:1] O=C(CSCc1cc(on1)-c1cccs1)N[*:1]
O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)c(Br)c1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(NC(=S)Nc1ccc(NC(=O)[*:1])c(Br)c1)c1ccc(Cl)cc1
O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)c(Br)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1Br)NC(=S)NC(=O)[*:1])c1ccccc1
O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)c(Br)c1)c1ccc(Cl)cc1 O=C(N[*:1])c1ccccc1 O=C(NC(=S)Nc1ccc(c(Br)c1)[*:1])c1ccc(Cl)cc1
Cc1ncsc1COC(=O)c1ccc2c(c1)[nH]c(=O)n2C Cc1ncsc1C[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)O[*:1]
Cc1ncsc1COC(=O)c1ccc2c(c1)[nH]c(=O)n2C Cc1ncsc1[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)OC[*:1]
N#Cc1ccc(CCC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 c1cc2OCOc2cc1[*:1] N#Cc1ccc(cc1)CCC(=O)NCC1(CCCCC1)[*:1]
N#Cc1ccc(CCC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 N#Cc1ccc(cc1)C[*:1] O=C(C[*:1])NCC1(CCCCC1)c1ccc2OCOc2c1
N#Cc1ccc(CCC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CC[*:1])NCC1(CCCCC1)c1ccc2OCOc2c1
O=C(COc1ccc(Br)cc1)Nc1ccccc1SC(F)F FC(F)[*:1] O=C(COc1ccc(Br)cc1)Nc1ccccc1S[*:1]
O=C(COc1ccc(Br)cc1)Nc1ccccc1SC(F)F Brc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccccc1SC(F)F
O=C(COc1ccc(Br)cc1)Nc1ccccc1SC(F)F FC(F)S[*:1] O=C(COc1ccc(Br)cc1)Nc1ccccc1[*:1]
COc1ccccc1[C@H](NC(=O)NCC(=O)NC1CC1)c1ccccn1 O=C(NC1CC1)[*:1] COc1ccccc1[C@H](NC(=O)NC[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)NCC(=O)NC1CC1)c1ccccn1 O=C(C[*:1])NC1CC1 COc1ccccc1[C@H](NC(=O)N[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)NCC(=O)NC1CC1)c1ccccn1 COc1ccccc1[*:1] O=C(CNC(=O)N[C@H](c1ccccn1)[*:1])NC1CC1
COc1ccccc1[C@H](NC(=O)NCC(=O)NC1CC1)c1ccccn1 C1CC1[*:1] COc1ccccc1[C@H](NC(=O)NCC(=O)N[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)NCC(=O)NC1CC1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)NCC(=O)NC1CC1)[*:1]
CCC(CC)N(CCO)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 OCC[*:1] CCC(CC)N(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)[*:1]
CCC(CC)N(CCO)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 CCC(CC)[*:1] [NH3+]C[C@@H]1CC[C@H](O1)C(=O)N(CCO)[*:1]
O=S(=O)(Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=S(=O)(Cc1ccccc1)NCc1ccc(cc1)C[*:1]
O=S(=O)(Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1 c1ccc(cc1)C[*:1] O=S(=O)(NCc1ccc(cc1)CN1CCOCC1)[*:1]
O=S(=O)(Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=S(=O)(Cc1ccccc1)NCc1ccc(cc1)[*:1]
O=S(=O)(Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])NCc1ccc(cc1)CN1CCOCC1
CC[NH+](CC)CC(=O)Nc1ccccc1Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[NH+](CC)CC(=O)Nc1ccccc1O[*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Sc2ccncc2)C1 c1cc(ccn1)[*:1] CC(C)[NH2+][C@]1(CC[C@H](C1)S[*:1])C(=O)[O-]
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Sc2ccncc2)C1 CC(C)[*:1] O=C([O-])[C@@]1(CC[C@H](C1)Sc1ccncc1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Sc2ccncc2)C1 O=C([O-])[*:1] CC(C)[NH2+][C@]1(CC[C@H](C1)Sc1ccncc1)[*:1]
CC(C)n1nccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] CC(C)n1nccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1O[*:1]
CC(C)n1nccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] CC(C)n1nccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
CC(C)n1nccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1 CC(C)[*:1] O=C(Nc1ccnn1[*:1])C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1
CC(C)n1nccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1 CC(C)n1nccc1[*:1] O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)C(=O)N[*:1]
C=CCOc1ccc(OCC=C)nn1 C=CCO[*:1] C=CCOc1ccc(nn1)[*:1]
C=CCOc1ccc(OCC=C)nn1 C=CC[*:1] C=CCOc1ccc(nn1)O[*:1]
CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc2c(c1)CCC2 CCC[*:1] C[C@@H](NC(=O)Nc1ccc2CCCc2c1)C(=O)N[*:1]
CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc2c(c1)CCC2 CCCNC(=O)[*:1] C[C@@H](NC(=O)Nc1ccc2CCCc2c1)[*:1]
C#CCn1/c(=N/C(=O)CS(=O)(=O)Cc2ccccc2)sc2cc3c(cc21)OCO3 C#CC[*:1] O=C(CS(=O)(=O)Cc1ccccc1)/N=c1\sc2cc3OCOc3cc2n1[*:1]
C#CCn1/c(=N/C(=O)CS(=O)(=O)Cc2ccccc2)sc2cc3c(cc21)OCO3 c1ccc(cc1)C[*:1] C#CCn1/c(=N/C(=O)CS(=O)(=O)[*:1])sc2cc3OCOc3cc21
C#CCn1/c(=N/C(=O)CS(=O)(=O)Cc2ccccc2)sc2cc3c(cc21)OCO3 c1ccc(cc1)[*:1] C#CCn1/c(=N/C(=O)CS(=O)(=O)C[*:1])sc2cc3OCOc3cc21
COc1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])NC(=O)N[C@H]1C[C@@H]1C
COc1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])NC(=O)N[C@H]1C[C@@H]1C
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)c1 Cc1cc(C)cc(c1)[*:1] Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(C(=O)[C@H]21)[*:1]
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)c1 NC(=O)CC[*:1] Cc1cc(C)cc(c1)N1C(=O)[C@@H]2[C@H](N[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O)[*:1]
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)c1 NC(=O)C[*:1] Cc1cc(C)cc(c1)N1C(=O)[C@@H]2[C@H](C[*:1])N[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)N1C(=O)[C@@H]2[C@H](CC[*:1])N[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O
COC(=O)c1cc(C(=O)Nc2ccccn2)cc([N+](=O)[O-])c1 c1ccc(nc1)[*:1] COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N[*:1]
COC(=O)c1cc(C(=O)Nc2ccccn2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cc(cc(c1)[*:1])C(=O)Nc1ccccn1
COC(=O)c1cc(C(=O)Nc2ccccn2)cc([N+](=O)[O-])c1 COC(=O)[*:1] O=C(Nc1ccccn1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CN(CCOc1ccccc1F)C(=O)Cn1nnnc1C(C)(C)C Fc1ccccc1[*:1] CN(CCO[*:1])C(=O)Cn1nnnc1C(C)(C)C
CN(CCOc1ccccc1F)C(=O)Cn1nnnc1C(C)(C)C CC(C)(C)[*:1] CN(CCOc1ccccc1F)C(=O)Cn1nnnc1[*:1]
CN(CCOc1ccccc1F)C(=O)Cn1nnnc1C(C)(C)C Fc1ccccc1O[*:1] CN(CC[*:1])C(=O)Cn1nnnc1C(C)(C)C
C#CCN(C(=O)OC)[C@H](CC=C)c1ccoc1 C=CC[*:1] C#CCN(C(=O)OC)[C@H](c1ccoc1)[*:1]
C#CCN(C(=O)OC)[C@H](CC=C)c1ccoc1 C#CC[*:1] C=CC[C@H](c1ccoc1)N(C(=O)OC)[*:1]
C#CCN(C(=O)OC)[C@H](CC=C)c1ccoc1 c1cc(co1)[*:1] C#CCN(C(=O)OC)[C@H](CC=C)[*:1]
CNC(=O)CCNc1ccc(C(=O)NC)n[nH+]1 CNC(=O)C[*:1] CNC(=O)c1ccc(NC[*:1])[nH+]n1
CNC(=O)CCNc1ccc(C(=O)NC)n[nH+]1 CNC(=O)[*:1] CNC(=O)c1ccc(NCC[*:1])[nH+]n1
CNC(=O)CCNc1ccc(C(=O)NC)n[nH+]1 CNC(=O)[*:1] CNC(=O)CCNc1ccc(n[nH+]1)[*:1]
C[C@H]1Cc2cc(-c3cc(CNC(=O)COc4ccccc4F)no3)ccc2O1 Fc1ccccc1OC[*:1] C[C@H]1Cc2cc(ccc2O1)-c1cc(CNC(=O)[*:1])no1
C[C@H]1Cc2cc(-c3cc(CNC(=O)COc4ccccc4F)no3)ccc2O1 Fc1ccccc1O[*:1] C[C@H]1Cc2cc(ccc2O1)-c1cc(CNC(=O)C[*:1])no1
C[C@H]1Cc2cc(-c3cc(CNC(=O)COc4ccccc4F)no3)ccc2O1 Fc1ccccc1[*:1] C[C@H]1Cc2cc(ccc2O1)-c1cc(CNC(=O)CO[*:1])no1
Cn1cnc(CCNC(=O)C2(C#N)CCCCC2)n1 Cn1cnc(n1)[*:1] N#CC1(CCCCC1)C(=O)NCC[*:1]
COC(=O)c1oc(Cn2nnc(-c3ccc(C)cc3)n2)cc1C COC(=O)[*:1] Cc1ccc(cc1)-c1nnn(Cc2cc(C)c(o2)[*:1])n1
COC(=O)c1oc(Cn2nnc(-c3ccc(C)cc3)n2)cc1C Cc1ccc(cc1)[*:1] COC(=O)c1oc(cc1C)Cn1nnc(n1)[*:1]
O=[N+]([O-])c1c(Br)sc(N2CCOCC2)c1[N+](=O)[O-] C1CN(CCO1)[*:1] O=[N+]([O-])c1c(Br)sc(c1[N+](=O)[O-])[*:1]
O=[N+]([O-])c1c(Br)sc(N2CCOCC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] O=[N+]([O-])c1c(Br)sc(c1[*:1])N1CCOCC1
O=[N+]([O-])c1c(Br)sc(N2CCOCC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] O=[N+]([O-])c1c(sc(Br)c1[*:1])N1CCOCC1
Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2ccc(Cl)c(Cl)c2)N(CCO)C3=O)c1 Cc1cc(C)c(O)c(c1)[*:1] O=C1c2n[nH]c(c2[C@H](c2ccc(Cl)c(Cl)c2)N1CCO)[*:1]
Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2ccc(Cl)c(Cl)c2)N(CCO)C3=O)c1 OCC[*:1] Cc1cc(C)c(O)c(c1)-c1[nH]nc2C(=O)N([C@@H](c3ccc(Cl)c(Cl)c3)c21)[*:1]
Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2ccc(Cl)c(Cl)c2)N(CCO)C3=O)c1 Clc1ccc(cc1Cl)[*:1] Cc1cc(C)c(O)c(c1)-c1[nH]nc2C(=O)N(CCO)[C@@H](c21)[*:1]
C[C@@H](CCl)CS(=O)(=O)[N-]c1ccc(Br)cc1 C[C@@H](CCl)[*:1] O=S(=O)(C[*:1])[N-]c1ccc(Br)cc1
CC(=O)N[C@H](CC(=O)N1CCCCC[C@@H]1c1cccn1C)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)N1CCCCC[C@@H]1c1cccn1C)[*:1]
CC(=O)N[C@H](CC(=O)N1CCCCC[C@@H]1c1cccn1C)c1ccc(C)cc1 Cn1cccc1[*:1] CC(=O)N[C@H](CC(=O)N1CCCCC[C@H]1[*:1])c1ccc(C)cc1
CC(=O)N[C@H](CC(=O)N1CCCCC[C@@H]1c1cccn1C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N1CCCCC[C@@H]1c1cccn1C)[*:1]
Cc1noc(C)c1CNc1cc(Cl)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1noc(C)c1CNc1cc(Cl)c(Cl)cc1[*:1]
CC(=O)c1ccc(S(=O)(=O)NCC2CCN(c3nc4ccccc4s3)CC2)cc1 c1ccc2sc(nc2c1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)NCC1CCN(CC1)[*:1]
CC(=O)c1ccc(S(=O)(=O)NCC2CCN(c3nc4ccccc4s3)CC2)cc1 CC(=O)[*:1] O=S(=O)(NCC1CCN(CC1)c1nc2ccccc2s1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)NCC2CCN(c3nc4ccccc4s3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=S(=O)(NCC1CCN(CC1)c1nc2ccccc2s1)[*:1]
CC[C@@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)C(=O)OC CC[C@@H](C(=O)OC)[*:1] O=C(Cc1cc2ccccc2[nH]c1=O)N[*:1]
CC[C@@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)[*:1]
COc1ccc(C(=O)NN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(N)=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NN1C(=S)N(C(=O)[C@H]1CC(N)=O)[*:1]
COc1ccc(C(=O)NN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(N)=O)cc1 NC(=O)[*:1] COc1ccc(cc1)C(=O)NN1C(=S)N(C(=O)[C@H]1C[*:1])c1ccccc1
COc1ccc(C(=O)NN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(N)=O)cc1 COc1ccc(cc1)[*:1] NC(=O)C[C@@H]1C(=O)N(C(=S)N1NC(=O)[*:1])c1ccccc1
COc1ccc(C(=O)NN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(N)=O)cc1 NC(=O)C[*:1] COc1ccc(cc1)C(=O)NN1C(=S)N(C(=O)[C@@H]1[*:1])c1ccccc1
CC(C)c1nn(C)cc1CN1CCN(CC(F)F)CC1 CC(C)[*:1] Cn1cc(CN2CCN(CC2)CC(F)F)c(n1)[*:1]
CC(C)c1nn(C)cc1CN1CCN(CC(F)F)CC1 FC(F)[*:1] CC(C)c1nn(C)cc1CN1CCN(CC1)C[*:1]
CC(C)c1nn(C)cc1CN1CCN(CC(F)F)CC1 FC(F)C[*:1] CC(C)c1nn(C)cc1CN1CCN(CC1)[*:1]
Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccccc4F)CC3)N2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N=C(N1)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccccc4F)CC3)N2)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](NC(=N1)N1CCN(CC1)c1ccccc1F)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccccc4F)CC3)N2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C1C[C@H](NC(=N1)N1CCN(CC1)c1ccccc1F)[*:1]
CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 O=S(=O)(N1CCCCC1)[*:1] CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(ccc21)[*:1]
CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 C1CCCC(CC1)[*:1] CCn1cc(C(=O)N[*:1])c(=O)c2cc(ccc21)S(=O)(=O)N1CCCCC1
CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 O=C(NC1CCCCCC1)[*:1] CCn1cc(c(=O)c2cc(ccc21)S(=O)(=O)N1CCCCC1)[*:1]
Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccc(C(=O)[O-])cc2)cc1 Cc1ccc(cc1)[*:1] O=C1CCCC2Nc3c(cnn3[C@@H](C=21)c1ccc(cc1)C(=O)[O-])C(=O)N[*:1]
Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccc(C(=O)[O-])cc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C1CCCC2Nc3c(cnn3[C@@H](C=21)c1ccc(cc1)C(=O)[O-])[*:1]
Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccc(C(=O)[O-])cc2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)NC(=O)c1cnn2c1NC1CCCC(=O)C=1[C@H]2c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccc(C(=O)[O-])cc2)cc1 O=C([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1cnn2c1NC1CCCC(=O)C=1[C@@H]2[*:1]
CCOc1ccc(NCc2nc(C)cs2)cn1 CCO[*:1] Cc1csc(CNc2ccc(nc2)[*:1])n1
Cc1ccc(Sc2ccc(NC(=O)COC(=O)c3n[nH]c(=O)c4ccccc34)cc2)cc1C Cc1ccc(cc1C)[*:1] O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(cc1)S[*:1]
Cc1ccc(Sc2ccc(NC(=O)COC(=O)c3n[nH]c(=O)c4ccccc34)cc2)cc1C O=c1[nH]nc(c2ccccc12)[*:1] Cc1ccc(cc1C)Sc1ccc(cc1)NC(=O)COC(=O)[*:1]
Cc1ccc(Sc2ccc(NC(=O)COC(=O)c3n[nH]c(=O)c4ccccc34)cc2)cc1C Cc1ccc(cc1C)S[*:1] O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(cc1)[*:1]
Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)c1C O=[N+]([O-])[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)c1C O=[N+]([O-])c1ccccc1[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CC(=O)NC(C)C)CC1 CCS[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CC(=O)NC(C)C)CC1 CC(C)NC(=O)[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CC1)C[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CC(=O)NC(C)C)CC1 CC(C)NC(=O)C[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CC1)[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CC(=O)NC(C)C)CC1 CC(C)[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CC1)CC(=O)N[*:1]
C[C@@H](NC(=O)CSc1nc([C@@H]2CCCO2)n[nH]1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nc(n[nH]1)[C@@H]1CCCO1)[*:1]
C[C@@H](NC(=O)CSc1nc([C@@H]2CCCO2)n[nH]1)c1ccccc1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)CSc1nc(n[nH]1)[*:1])c1ccccc1
O=C(NNC(=O)c1cccc(Br)c1)C(=O)N1CCCCC1 Brc1cccc(c1)[*:1] O=C(NNC(=O)[*:1])C(=O)N1CCCCC1
Cc1ccc(NC(=O)CSCC(=O)Oc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)OC(=O)CSCC(=O)N[*:1]
Cc1ccc(NC(=O)CSCC(=O)Oc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CSCC(=O)O[*:1]
Cc1ccoc1[C@@H](C)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 Cc1ccoc1[*:1] C[C@@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
Cc1cccc(Cl)c1NC(=O)[C@@H](C)OCC(F)(F)F FC(F)(F)C[*:1] Cc1cccc(Cl)c1NC(=O)[C@@H](C)O[*:1]
Cc1cccc(Cl)c1NC(=O)[C@@H](C)OCC(F)(F)F FC(F)(F)[*:1] Cc1cccc(Cl)c1NC(=O)[C@@H](C)OC[*:1]
Cc1cccc(Cl)c1NC(=O)[C@@H](C)OCC(F)(F)F FC(F)(F)CO[*:1] Cc1cccc(Cl)c1NC(=O)[C@@H](C)[*:1]
O=C(C1=Cc2cc(F)ccc2OC1)N1CCCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(C1=Cc2cc(F)ccc2OC1)N1CCCN(CC1)[*:1]
O=C(NCC1CCC(C(=O)[O-])CC1)c1cc(Cl)ccc1F O=C([O-])[*:1] O=C(NCC1CCC(CC1)[*:1])c1cc(Cl)ccc1F
C[C@H]1CCC[C@H]([NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 NS(=O)(=O)[*:1] C[C@H]1CCC[C@@H](C1)[NH+]1CCN(CC1)c1ccc(cc1)[*:1]
O=C(Cc1cc(F)ccc1F)NCC1(c2ccc(F)cc2F)CC1 Fc1ccc(F)c(c1)[*:1] O=C(C[*:1])NCC1(CC1)c1ccc(F)cc1F
O=C(Cc1cc(F)ccc1F)NCC1(c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] O=C(Cc1cc(F)ccc1F)NCC1(CC1)[*:1]
CO/C([O-])=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(C)c1C Cc1c(cnn1C)[*:1] CO/C([O-])=C1/C(C)=NC2CC(C)(C)CC(=O)C=2[C@@H]1[*:1]
CC(C)N(C(=O)c1cc(Br)c[nH]1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)c1cc(Br)c[nH]1)[*:1]
CC(C)N(C(=O)c1cc(Br)c[nH]1)C1CCC1 CC(C)[*:1] O=C(c1cc(Br)c[nH]1)N(C1CCC1)[*:1]
COc1ccc(NC(=O)CN(C)C(=O)C2=NN=C(c3ccc(C)s3)C2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(s1)C1CC(=NN=1)C(=O)N(C)CC(=O)N[*:1]
COc1ccc(NC(=O)CN(C)C(=O)C2=NN=C(c3ccc(C)s3)C2)cc1 Cc1ccc(s1)[*:1] COc1ccc(cc1)NC(=O)CN(C)C(=O)C1CC(=NN=1)[*:1]
CN(CCCOc1ccccc1)C(=O)C[NH+]1CCCSCC1 c1ccc(cc1)O[*:1] CN(CCC[*:1])C(=O)C[NH+]1CCCSCC1
CN(CCCOc1ccccc1)C(=O)C[NH+]1CCCSCC1 c1ccc(cc1)[*:1] CN(CCCO[*:1])C(=O)C[NH+]1CCCSCC1
CC[C@H](NC(=O)C(=O)Nc1cccn(C)c1=O)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)C(=O)Nc1cccn(C)c1=O)[*:1]
O=C(Cn1c(CCc2ccccc2)nc2ccccc21)N1CCCCCC1 c1ccc(cc1)C[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)N1CCCCCC1
O=C(Cn1c(CCc2ccccc2)nc2ccccc21)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(Cn1c(CC[*:1])nc2ccccc21)N1CCCCCC1
O=C(Cn1c(CCc2ccccc2)nc2ccccc21)N1CCCCCC1 c1ccc(cc1)CC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCCCCC1
O=C(Cn1c(CCc2ccccc2)nc2ccccc21)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] c1ccc(cc1)CCc1nc2ccccc2n1C[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(c1)C(=O)N(C)[*:1]
N#CCCN1CC(=O)Nc2ccccc21 N#CCC[*:1] O=C1CN(c2ccccc2N1)[*:1]
N#CCCN1CC(=O)Nc2ccccc21 N#CC[*:1] O=C1CN(C[*:1])c2ccccc2N1
Cc1ccc([C@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)C(=O)Nc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)[C@H](NC(=O)/C=C\c1ccc2OCOc2c1)C(=O)N[*:1]
Cc1ccc([C@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)C(=O)Nc2ccc3c(c2)OCO3)cc1 C(=C[*:1])c1ccc2OCOc2c1 Cc1ccc(cc1)[C@H](NC(=O)[*:1])C(=O)Nc1ccc2OCOc2c1
Cc1ccc([C@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)C(=O)Nc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)[C@H](NC(=O)C=C[*:1])C(=O)Nc1ccc2OCOc2c1
Cc1ccc([C@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)C(=O)Nc2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] O=C(/C=C\c1ccc2OCOc2c1)N[C@H](C(=O)Nc1ccc2OCOc2c1)[*:1]
CC(CO)(CO)NC(=O)CN1CCN(c2ccc(F)cc2)C1=O CC(CO)(CO)[*:1] O=C(CN1CCN(C1=O)c1ccc(F)cc1)N[*:1]
CC(CO)(CO)NC(=O)CN1CCN(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] CC(CO)(CO)NC(=O)CN1CCN(C1=O)[*:1]
CC(C)c1cc(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)n[nH]1 Clc1cccc(c1)[*:1] CC(C)c1cc(n[nH]1)C(=O)N(C)CC(=O)N[*:1]
CC(C)c1cc(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)n[nH]1 CC(C)[*:1] CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cc([nH]n1)[*:1]
Cn1cc(C[NH+](C)Cc2cccc(C#N)c2)cn1 Cn1cc(cn1)[*:1] C[NH+](Cc1cccc(C#N)c1)C[*:1]
CC(C)n1cccc1C(=O)N[C@H]1CCc2cc(N)ccc21 CC(C)[*:1] Nc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccn1[*:1]
C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1nnc(o1)[*:1])c1ccc(Cl)cc1
C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1nnc(o1)-c1ccccc1)[*:1]
Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(NC(=O)c3ccc(Br)cc3)cc21 Brc1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(cc21)NC(=O)[*:1]
Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(NC(=O)c3ccc(Br)cc3)cc21 c1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(S[*:1])c(cc21)NC(=O)c1ccc(Br)cc1
Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(NC(=O)c3ccc(Br)cc3)cc21 c1ccc(cc1)S[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)c1ccc(Br)cc1)[*:1]
CC(C)n1cc(N2Cc3nc(N4CCC[C@H](C)C4)ncc3C2=O)cn1 CC(C)[*:1] C[C@H]1CCCN(C1)c1ncc2C(=O)N(Cc2n1)c1cnn(c1)[*:1]
CC(C)n1cc(N2Cc3nc(N4CCC[C@H](C)C4)ncc3C2=O)cn1 CC(C)n1cc(cn1)[*:1] C[C@H]1CCCN(C1)c1ncc2C(=O)N(Cc2n1)[*:1]
CC(C)n1cc(N2Cc3nc(N4CCC[C@H](C)C4)ncc3C2=O)cn1 C[C@H]1CCCN(C1)[*:1] CC(C)n1cc(cn1)N1Cc2nc(ncc2C1=O)[*:1]
COc1c(CN2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)c(C)nn1C COc1c(c(C)nn1C)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)CN1CCN(CC1)C[*:1]
FC(F)Oc1ccc(CNc2cccc(-n3cnnc3)c2)cc1Br c1nncn1[*:1] FC(F)Oc1ccc(cc1Br)CNc1cccc(c1)[*:1]
FC(F)Oc1ccc(CNc2cccc(-n3cnnc3)c2)cc1Br FC(F)O[*:1] Brc1cc(ccc1[*:1])CNc1cccc(c1)-n1cnnc1
FC(F)Oc1ccc(CNc2cccc(-n3cnnc3)c2)cc1Br FC(F)[*:1] Brc1cc(ccc1O[*:1])CNc1cccc(c1)-n1cnnc1
CCC[C@@H](C)NC(=O)NCc1nnc2ccccn12 CCC[C@@H](C)[*:1] O=C(NCc1nnc2ccccn12)N[*:1]
CCC[C@@H](C)NC(=O)NCc1nnc2ccccn12 CCC[*:1] C[C@@H](NC(=O)NCc1nnc2ccccn12)[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc(-c3ccncc3)n[nH]2)CC1 c1cc2OCCOc2cc1[*:1] O=S(=O)(N1CCC(CC1)c1nc(n[nH]1)-c1ccncc1)[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc(-c3ccncc3)n[nH]2)CC1 c1cc(ccn1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCC(CC1)c1nc(n[nH]1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3)no2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)NCc1nc(no1)-c1ccccc1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3)no2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NCc1nc(no1)-c1ccccc1
Cc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3)no2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)NCc1nc(no1)[*:1]
CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc(C)c1C CNS(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)N1CCC[C@H]2CCCC[C@@H]21
O=S(=O)(c1ccc(Nc2ccccc2Cl)nc1)N1CCCCC1 Clc1ccccc1[*:1] O=S(=O)(c1ccc(nc1)N[*:1])N1CCCCC1
C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2ccccc2C#N)C1=O N#Cc1ccccc1C[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])c1ccc2OCCCOc2c1
C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2ccccc2C#N)C1=O N#Cc1ccccc1[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc2OCCCOc2c1
C[C@@H]1C[C@H]1[C@H](NC(=O)C(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1 Fc1cccc(c1)[*:1] C[C@@H]1C[C@H]1[C@H](NC(=O)C(=O)N[*:1])c1ccc(Cl)cc1
C[C@@H]1C[C@H]1[C@H](NC(=O)C(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H]1C[C@H]1[C@H](NC(=O)C(=O)Nc1cccc(F)c1)[*:1]
CCC[NH+]1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 CCC[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1c(O)cc(Cl)cc1Cl
Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 Cc1ccc(Cl)cc1[*:1] O=C(NCc1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc(c1)[*:1]
CS[C@@H](C)C[NH2+][C@H]1CCCCC1(C)C CS[C@@H](C)[*:1] CC1(C)CCCC[C@@H]1[NH2+]C[*:1]
CC[NH2+][C@H](C)c1cccc(OC[C@@H](C)C(N)=O)c1 NC(=O)[*:1] CC[NH2+][C@H](C)c1cccc(c1)OC[C@@H](C)[*:1]
CC[NH2+][C@H](C)c1cccc(OC[C@@H](C)C(N)=O)c1 C[C@H](C[*:1])C(N)=O CC[NH2+][C@H](C)c1cccc(c1)O[*:1]
CC[NH2+][C@H](C)c1cccc(OC[C@@H](C)C(N)=O)c1 C[C@@H](C(N)=O)[*:1] CC[NH2+][C@H](C)c1cccc(c1)OC[*:1]
CC(C)n1cnnc1[S@](=O)Cc1ccc(Br)s1 CC(C)[*:1] O=[S@](Cc1ccc(Br)s1)c1nncn1[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H]3N[C@H](c4ccc(C)s4)CS3)ccc21 Cc1ccc(s1)[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)N[C@H]1N[C@H](CS1)[*:1]
C=C(C)CNC(=O)c1cc(-c2ccc(C)o2)nc2cc(OC)c(OC)cc12 C=C(C)[*:1] COc1cc2nc(cc(C(=O)NC[*:1])c2cc1OC)-c1ccc(C)o1
C=C(C)CNC(=O)c1cc(-c2ccc(C)o2)nc2cc(OC)c(OC)cc12 C=C(C)CNC(=O)[*:1] COc1cc2nc(cc(c2cc1OC)[*:1])-c1ccc(C)o1
C=C(C)CNC(=O)c1cc(-c2ccc(C)o2)nc2cc(OC)c(OC)cc12 C=C(C)C[*:1] COc1cc2nc(cc(C(=O)N[*:1])c2cc1OC)-c1ccc(C)o1
C=C(C)CNC(=O)c1cc(-c2ccc(C)o2)nc2cc(OC)c(OC)cc12 Cc1ccc(o1)[*:1] C=C(C)CNC(=O)c1cc(nc2cc(OC)c(cc12)OC)[*:1]
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N3CCOCC3)c1)C2=O O=S(=O)(N1CCOCC1)[*:1] C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(Cl)c(c1)[*:1])C2=O
CC(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1ccccn1 C1CO[C@@H](C1)[*:1] CC(C)[C@H](NC(=O)N(Cc1cccnc1)C[*:1])c1ccccn1
CC(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1ccccn1 c1cncc(c1)[*:1] CC(C)[C@H](NC(=O)N(C[C@@H]1CCCO1)C[*:1])c1ccccn1
CC(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1ccccn1 CC(C)[*:1] O=C(N[C@H](c1ccccn1)[*:1])N(Cc1cccnc1)C[C@@H]1CCCO1
CC(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1ccccn1 c1cncc(c1)C[*:1] CC(C)[C@H](NC(=O)N(C[C@@H]1CCCO1)[*:1])c1ccccn1
CC(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)[*:1]
CC(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1ccccn1 C1CO[C@@H](C1)C[*:1] CC(C)[C@H](NC(=O)N(Cc1cccnc1)[*:1])c1ccccn1
CCO[C@H]1C[C@@H](NC(=O)NCc2nc(C(C)(C)C)cs2)C12CCC2 CCO[*:1] CC(C)(C)c1csc(CNC(=O)N[C@@H]2C[C@@H](C23CCC3)[*:1])n1
CCO[C@H]1C[C@@H](NC(=O)NCc2nc(C(C)(C)C)cs2)C12CCC2 CC(C)(C)[*:1] CCO[C@H]1C[C@@H](NC(=O)NCc2nc(cs2)[*:1])C12CCC2
O=C(NC[C@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccs2)CC1 O=C(NC[C@H]1CCCO1)[*:1] O=C(c1cccs1)N1CCN(CC1)[C@H](C1CCCC1)[*:1]
O=C(NC[C@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccs2)CC1 C1CO[C@H](C1)C[*:1] O=C(N[*:1])[C@@H](C1CCCC1)N1CCN(CC1)C(=O)c1cccs1
O=C(NC[C@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccs2)CC1 C1CCC(C1)[*:1] O=C(NC[C@H]1CCCO1)[C@@H](N1CCN(CC1)C(=O)c1cccs1)[*:1]
O=C(NC[C@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccs2)CC1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])[C@@H](C1CCCC1)N1CCN(CC1)C(=O)c1cccs1
O=C(NC[C@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(NC[C@H]1CCCO1)[C@@H](C1CCCC1)N1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1cc(Cl)nc(NC(C)=O)n1 CC(=O)N[*:1] CC(=O)Nc1cc(Cl)nc(n1)[*:1]
CC(=O)Nc1cc(Cl)nc(NC(C)=O)n1 CC(=O)N[*:1] CC(=O)Nc1nc(Cl)cc(n1)[*:1]
Cc1cc(OCn2cc(Cl)c(C(=O)NN)n2)cc(C(C)C)c1 NNC(=O)[*:1] Cc1cc(cc(c1)C(C)C)OCn1cc(Cl)c(n1)[*:1]
Cc1cc(OCn2cc(Cl)c(C(=O)NN)n2)cc(C(C)C)c1 CC(C)[*:1] Cc1cc(cc(c1)[*:1])OCn1cc(Cl)c(n1)C(=O)NN
O=C(Cc1ccccc1)Nc1c(-c2ccccc2)nc2ccccn12 c1ccc(cc1)[*:1] O=C(Cc1ccccc1)Nc1c(nc2ccccn12)[*:1]
O=C(Cc1ccccc1)Nc1c(-c2ccccc2)nc2ccccn12 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1c(nc2ccccn12)-c1ccccc1
O=C(Cc1ccccc1)Nc1c(-c2ccccc2)nc2ccccn12 c1ccc(cc1)C[*:1] O=C(Nc1c(nc2ccccn12)-c1ccccc1)[*:1]
Cc1cccc(CC(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)CC(=O)N(C[C@H]1CCCO1)C[*:1]
Cc1cccc(CC(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 Cc1cccc(c1)C[*:1] O=C(CN(C[C@H]1CCCO1)C(=O)[*:1])N1CCCC1
Cc1cccc(CC(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 Cc1cccc(c1)[*:1] O=C(CN(C[C@H]1CCCO1)C(=O)C[*:1])N1CCCC1
Cc1cccc(CC(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 O=C(C[*:1])N1CCCC1 Cc1cccc(c1)CC(=O)N(C[C@H]1CCCO1)[*:1]
CC1(C)C(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C CC1(C)C(C1(C)C)[*:1] O=C(c1c[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
CC1(C)C(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1(C)C O=[N+]([O-])[*:1] CC1(C)C(C(=O)c2c[nH]c3ccc(cc23)[*:1])C1(C)C
CCOCCS(=O)(=O)/N=C(\[O-])c1cccc(-c2ccoc2)c1 CCOCC[*:1] O=S(=O)(/N=C(\[O-])c1cccc(c1)-c1ccoc1)[*:1]
CCOCCS(=O)(=O)/N=C(\[O-])c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] CCOCCS(=O)(=O)/N=C(\[O-])c1cccc(c1)[*:1]
CCOCCS(=O)(=O)/N=C(\[O-])c1cccc(-c2ccoc2)c1 CCO[*:1] O=S(=O)(CC[*:1])/N=C(\[O-])c1cccc(c1)-c1ccoc1
CCOCCS(=O)(=O)/N=C(\[O-])c1cccc(-c2ccoc2)c1 CCOC[*:1] O=S(=O)(C[*:1])/N=C(\[O-])c1cccc(c1)-c1ccoc1
CC(C)c1c(C(=O)NCCO)nnn1Cc1ccccc1 O=C(NCCO)[*:1] CC(C)c1c(nnn1Cc1ccccc1)[*:1]
CC(C)c1c(C(=O)NCCO)nnn1Cc1ccccc1 CC(C)[*:1] O=C(NCCO)c1nnn(Cc2ccccc2)c1[*:1]
CC(C)c1c(C(=O)NCCO)nnn1Cc1ccccc1 OCC[*:1] CC(C)c1c(nnn1Cc1ccccc1)C(=O)N[*:1]
CC(C)c1c(C(=O)NCCO)nnn1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)c1c(nnn1[*:1])C(=O)NCCO
CC(C)c1c(C(=O)NCCO)nnn1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)c1c(nnn1C[*:1])C(=O)NCCO
CS[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1c(C)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] CS[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1c(C)nn(c1C)[*:1]
Cc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2=O)o1 Cc1ccc(o1)[*:1] C[C@@]1(NC(=O)N(Cc2ccc(cc2)C(F)(F)F)C1=O)[*:1]
Cc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2=O)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@]1(C)NC(=O)N(Cc2ccc(cc2)[*:1])C1=O
CSC[C@@H](C)NC(=O)N(C)CCOc1cc(C)cc(C)c1 CSC[*:1] Cc1cc(C)cc(c1)OCCN(C)C(=O)N[C@H](C)[*:1]
CC[NH+]1CCC(N(C)CC(=O)NC(=O)NCc2ccco2)CC1 c1coc(c1)C[*:1] CC[NH+]1CCC(CC1)N(C)CC(=O)NC(=O)N[*:1]
CC[NH+]1CCC(N(C)CC(=O)NC(=O)NCc2ccco2)CC1 c1coc(c1)[*:1] CC[NH+]1CCC(CC1)N(C)CC(=O)NC(=O)NC[*:1]
Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)CCO[*:1] Cc1cc(ccc1C(=O)N1CC[C@@H](C1)[*:1])-n1cncn1
Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)CC[*:1] Cc1cc(ccc1C(=O)N1CC[C@H](C1)O[*:1])-n1cncn1
Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)C[*:1] Cc1cc(ccc1C(=O)N1CC[C@H](C1)OC[*:1])-n1cncn1
Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@@H](OCCC(C)C)C1 c1ncn(n1)[*:1] Cc1cc(ccc1C(=O)N1CC[C@H](C1)OCCC(C)C)[*:1]
Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)[*:1] Cc1cc(ccc1C(=O)N1CC[C@H](C1)OCC[*:1])-n1cncn1
O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(c1cc2CCCCc2[nH]c1=O)N1CCC[C@@H]1[*:1]
CC1CC[NH+](CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)CC1 c1ccc(cc1)[*:1] CC1CC[NH+](CCOc2ccc(c(O)c2)-c2n[nH]cc2[*:1])CC1
COc1cccc(-c2noc(N3CC=C(c4c[nH]c5ccc(OC)cc45)CC3)n2)c1 COc1cccc(c1)[*:1] COc1ccc2[nH]cc(C3=CCN(CC3)c3nc(no3)[*:1])c2c1
COc1cc(C[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc2c1OCO2 CC(C)(C)[*:1] COc1cc(cc2OCOc12)C[NH2+][C@H]1CC(=O)N(C1)[*:1]
COc1ccc(-c2nnc(SCc3nc4ccc(Cl)cc4n3CCO)o2)cc1 OCC[*:1] COc1ccc(cc1)-c1nnc(o1)SCc1nc2ccc(Cl)cc2n1[*:1]
COc1ccc(-c2nnc(SCc3nc4ccc(Cl)cc4n3CCO)o2)cc1 COc1ccc(cc1)[*:1] OCCn1c(CSc2nnc(o2)[*:1])nc2ccc(Cl)cc21
COc1ccc([C@@H](O)CN[C@@H]2CCOc3ccc(C(C)C)cc32)cc1OC CC(C)[*:1] COc1ccc(cc1OC)[C@@H](O)CN[C@@H]1CCOc2ccc(cc21)[*:1]
Cc1cc(C)nc(-n2ncc3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)n1 Cc1cc(C)nc(n1)[*:1] CC(C)c1ccc(cc1)[C@@H]1CC(=O)c2cnn(c2C1)[*:1]
Cc1cc(C)nc(-n2ncc3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)n1 CC(C)c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)-n1ncc2C(=O)C[C@@H](Cc21)[*:1]
Cc1cc(C)nc(-n2ncc3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)n1 CC(C)[*:1] Cc1cc(C)nc(n1)-n1ncc2C(=O)C[C@H](Cc21)c1ccc(cc1)[*:1]
CC1CCN(S(=O)(=O)c2ccc3c(ccn3CCC(=O)N[C@@H]3CCCc4ccccc43)c2)CC1 CC1CCN(CC1)S(=O)(=O)[*:1] O=C(CCn1ccc2cc(ccc21)[*:1])N[C@@H]1CCCc2ccccc21
Cc1nc(C(C)C)sc1C(=O)N1CCOC(C)(C)C1 CC(C)[*:1] Cc1nc(sc1C(=O)N1CCOC(C)(C)C1)[*:1]
CC(C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1Cc1cccs1 c1csc(c1)C[*:1] CC(C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1[*:1]
CC(C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1Cc1cccs1 CC(C)[*:1] O=C1[C@H](N(Cc2cccs2)C(=O)[C@@H]2CCCN12)[*:1]
CC(C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1Cc1cccs1 c1csc(c1)[*:1] CC(C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1C[*:1]
CCn1c(SCC(=O)/N=C2/NCCS2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCn1c(nnc1[C@H](C)NC(=O)[*:1])SCC(=O)/N=C1/NCCS1
CCN1CC2(CCN(c3ccnc(C)n3)CC2)C[C@@H](c2ccccc2)C1=O c1ccc(cc1)[*:1] CCN1CC2(CCN(CC2)c2ccnc(C)n2)C[C@@H](C1=O)[*:1]
CCN1CC2(CCN(c3ccnc(C)n3)CC2)C[C@@H](c2ccccc2)C1=O Cc1nccc(n1)[*:1] CCN1CC2(CCN(CC2)[*:1])C[C@H](C1=O)c1ccccc1
C/C=C(/C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 CC=C(C)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)[*:1]
C/C=C(/C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 C/C=C(/C)C(=O)N[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)[*:1]
C[C@H](C#N)CNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] C[C@H](C#N)CNC(=O)Nc1cccc(c1)[*:1]
CN(CC(=O)Nc1ccc(Oc2cccnc2)nc1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)Nc1ccc(nc1)Oc1cccnc1)C(=O)[*:1]
CN(CC(=O)Nc1ccc(Oc2cccnc2)nc1)C(=O)c1ccccc1 c1cncc(c1)O[*:1] CN(CC(=O)Nc1ccc(nc1)[*:1])C(=O)c1ccccc1
CN(CC(=O)Nc1ccc(Oc2cccnc2)nc1)C(=O)c1ccccc1 c1cncc(c1)[*:1] CN(CC(=O)Nc1ccc(nc1)O[*:1])C(=O)c1ccccc1
O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CC2(CC2)c2ccccc21 Clc1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N1CC2(CC2)c2ccccc21
CC[C@@H](C)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C CC[C@@H](C)[*:1] Cc1cc(C)c(cc1C(=O)[O-])S(=O)(=O)[*:1]
CC[C@@H](C)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C O=C([O-])[*:1] CC[C@@H](C)S(=O)(=O)c1cc(c(C)cc1C)[*:1]
C[C@H]1NC(=O)CN(C2CCN(C(=O)OC(C)(C)C)CC2)C1=O CC(C)(C)[*:1] C[C@H]1NC(=O)CN(C1=O)C1CCN(CC1)C(=O)O[*:1]
CCCNC(=O)c1cccc(CNC(=O)NOC)c1 CONC(=O)N[*:1] CCCNC(=O)c1cccc(c1)C[*:1]
CCCNC(=O)c1cccc(CNC(=O)NOC)c1 CCC[*:1] CONC(=O)NCc1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(CNC(=O)NOC)c1 CCCNC(=O)[*:1] CONC(=O)NCc1cccc(c1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)[C@]1([NH3+])CCOC1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)[C@]1([NH3+])CCOC1
C[C@@H](Cc1cccs1)N(C)C(=O)[C@]1([NH3+])CCOC1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)[C@]1([NH3+])CCOC1)[*:1]
O=C(Cc1cnc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1cnc(s1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N[*:1]
O=C(NC1CC1)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 O=C(NC1CC1)[*:1] O=C(N[C@@H]1CCC[C@@H](C1)[*:1])[C@@H]1C[C@@H]1c1ccccc1
O=C(NC1CC1)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@H]1CCC[C@H](C1)NC(=O)[C@@H]1C[C@H]1[*:1]
O=C(NC1CC1)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 C1CC1[*:1] O=C(N[*:1])[C@H]1CCC[C@H](C1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1
[NH3+][C@@H]1CCCCC[C@@H]1c1nc2ccc(F)cc2n1C1CC1 C1CC1[*:1] [NH3+][C@@H]1CCCCC[C@@H]1c1nc2ccc(F)cc2n1[*:1]
O=C(Nc1n[nH]c(-c2ccco2)n1)c1cccc(Cl)c1Cl c1coc(c1)[*:1] O=C(Nc1n[nH]c(n1)[*:1])c1cccc(Cl)c1Cl
CC[C@H]([NH2+][C@H](C)CC(=O)N(C)C)c1c(C)noc1C CN(C)C(=O)C[*:1] CC[C@H]([NH2+][C@H](C)[*:1])c1c(C)noc1C
CC[C@H]([NH2+][C@H](C)CC(=O)N(C)C)c1c(C)noc1C CN(C)C(=O)[*:1] CC[C@H]([NH2+][C@H](C)C[*:1])c1c(C)noc1C
CC(C)CNC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O CC(C)C[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])N[*:1]
CC(C)CNC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O O=[N+]([O-])[*:1] CC(C)CNC(=O)Cn1cnc2ccc(cc2c1=O)[*:1]
CC(C)CNC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O CC(C)[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])NC[*:1]
CC(C)CNC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O CC(C)CNC(=O)[*:1] O=c1c2cc(ccc2ncn1C[*:1])[N+](=O)[O-]
COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3cc(OC)cc(OC)c3)C2=O)cc1 COc1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)CN1C(=O)C(=NC1(C)C)[*:1]
COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3cc(OC)cc(OC)c3)C2=O)cc1 COc1cc(cc(c1)[*:1])OC COc1ccc(cc1)C1=NC(C)(C)N(CC(=O)N[*:1])C1=O
O=C([O-])/C=C/c1ccc(NC(=O)NC2CCCC2)c(F)c1 C1CCC(C1)[*:1] O=C([O-])/C=C/c1ccc(NC(=O)N[*:1])c(F)c1
O=C([O-])/C=C/c1ccc(NC(=O)NC2CCCC2)c(F)c1 O=C([O-])[*:1] O=C(Nc1ccc(C=C[*:1])cc1F)NC1CCCC1
O=C([O-])/C=C/c1ccc(NC(=O)NC2CCCC2)c(F)c1 O=C([O-])C=C[*:1] O=C(Nc1ccc(cc1F)[*:1])NC1CCCC1
Cc1nc(-c2ccc(C(=O)NCCCc3c(C)noc3C)cc2)n[nH]1 Cc1noc(C)c1C[*:1] Cc1nc(n[nH]1)-c1ccc(cc1)C(=O)NCC[*:1]
Cc1nc(-c2ccc(C(=O)NCCCc3c(C)noc3C)cc2)n[nH]1 Cc1noc(C)c1[*:1] Cc1nc(n[nH]1)-c1ccc(cc1)C(=O)NCCC[*:1]
Cc1nc(-c2ccc(C(=O)NCCCc3c(C)noc3C)cc2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cc1noc(C)c1CCCNC(=O)c1ccc(cc1)[*:1]
CCOC(=O)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c(C)nnc21 CCOC(=O)[*:1] Cc1nnc2[C@H](N=C(c3ccccc3)c3cc(Cl)ccc3-n12)[*:1]
CCOC(=O)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c(C)nnc21 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1N=C(c2cc(Cl)ccc2-n2c(C)nnc21)[*:1]
C[C@@H](OC(=O)c1cnn2cc(Br)cnc12)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](OC(=O)c1cnn2cc(Br)cnc12)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H](CO)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)N[C@@H](CO)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H](CO)c2ccccc2)cc1 CCN(CC)C(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H](CO)c1ccccc1
CNc1nc(C2CCN(C(=O)[C@H](c3ccccc3)N3CCCC3)CC2)nc2c1CC[NH2+]C2 c1ccc(cc1)[*:1] CNc1nc(nc2C[NH2+]CCc21)C1CCN(CC1)C(=O)[C@H](N1CCCC1)[*:1]
CNc1nc(C2CCN(C(=O)[C@H](c3ccccc3)N3CCCC3)CC2)nc2c1CC[NH2+]C2 C1CCN(C1)[*:1] CNc1nc(nc2C[NH2+]CCc21)C1CCN(CC1)C(=O)[C@H](c1ccccc1)[*:1]
COCCCCOc1ccc(Br)c(C)c1 COCC[*:1] Cc1cc(ccc1Br)OCC[*:1]
COCCCCOc1ccc(Br)c(C)c1 COC[*:1] Cc1cc(ccc1Br)OCCC[*:1]
COCCCCOc1ccc(Br)c(C)c1 COCCC[*:1] Cc1cc(ccc1Br)OC[*:1]
COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3cccc(Br)c3)C2=O)cc1 Brc1cccc(c1)[*:1] COc1ccc(cc1)N1C(=O)C(=O)N(CC(=O)N[*:1])C1=O
COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3cccc(Br)c3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C(CN1C(=O)C(=O)N(C1=O)[*:1])Nc1cccc(Br)c1
C[C@@H](Cn1cccn1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 c1cnn(c1)C[*:1] C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)[*:1]
C[C@@H](Cn1cccn1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 c1cnn(c1)[*:1] C[C@@H](C[*:1])NC(=O)NC[C@H](O)C[NH+]1CCCCC1
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)C1CCCCC1 CC[S@](=O)[*:1] C[C@H](CC(=O)N[C@H]1CCCC[C@@H]1[*:1])C1CCCCC1
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)C1CCCCC1 C1CCC(CC1)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)[*:1]
Cc1cc(/C(C#N)=C\c2cnc(N3CC[NH+](C)CC3)nc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])/C(C#N)=C\c1cnc(nc1)N1CC[NH+](C)CC1
COc1ccc([C@@H](O)[C@H](C)[NH2+][C@H](C)CC(=O)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)CC(=O)N1CCOCC1)[C@H](O)[*:1]
COc1ccc([C@@H](O)[C@H](C)[NH2+][C@H](C)CC(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)[NH2+][C@H](C)C[*:1]
CC(C)c1ccc(CN(C)C(=O)CCS(=O)(=O)C2CCCC2)cc1 O=S(=O)(C1CCCC1)[*:1] CC(C)c1ccc(cc1)CN(C)C(=O)CC[*:1]
CC(C)c1ccc(CN(C)C(=O)CCS(=O)(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] CC(C)c1ccc(cc1)CN(C)C(=O)CCS(=O)(=O)[*:1]
CC(C)c1ccc(CN(C)C(=O)CCS(=O)(=O)C2CCCC2)cc1 CC(C)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)CCS(=O)(=O)C1CCCC1
C[C@@H](NC(=O)NCC1CCCCCCC1)c1nncn1C Cn1cnnc1[*:1] C[C@@H](NC(=O)NCC1CCCCCCC1)[*:1]
CCN(Cc1cnn(C(C)C)c1)C(=O)c1nnc2nc(C)cc(C)n12 CC(C)n1cc(cn1)[*:1] CCN(C[*:1])C(=O)c1nnc2nc(C)cc(C)n12
CCN(Cc1cnn(C(C)C)c1)C(=O)c1nnc2nc(C)cc(C)n12 CC(C)[*:1] CCN(Cc1cnn(c1)[*:1])C(=O)c1nnc2nc(C)cc(C)n12
COc1ccc(OC)c(C(=O)[O-])c1C(=O)[O-] O=C([O-])[*:1] COc1ccc(OC)c(c1C(=O)[O-])[*:1]
COC(=O)CCN1CCN(C(=O)c2ccc(C)s2)CC1 COC(=O)CC[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)[*:1]
COC(=O)CCN1CCN(C(=O)c2ccc(C)s2)CC1 Cc1ccc(s1)[*:1] COC(=O)CCN1CCN(CC1)C(=O)[*:1]
COC(=O)CCN1CCN(C(=O)c2ccc(C)s2)CC1 COC(=O)C[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)C[*:1]
COC(=O)CCN1CCN(C(=O)c2ccc(C)s2)CC1 COC(=O)[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)CC[*:1]
CN(Cc1ccccc1)c1ncnc(Sc2ccccc2)c1N c1ccc(cc1)[*:1] CN(C[*:1])c1ncnc(Sc2ccccc2)c1N
CN(Cc1ccccc1)c1ncnc(Sc2ccccc2)c1N c1ccc(cc1)S[*:1] CN(Cc1ccccc1)c1ncnc(c1N)[*:1]
CN(Cc1ccccc1)c1ncnc(Sc2ccccc2)c1N c1ccc(cc1)C[*:1] CN(c1ncnc(Sc2ccccc2)c1N)[*:1]
CN(Cc1ccccc1)c1ncnc(Sc2ccccc2)c1N c1ccc(cc1)[*:1] CN(Cc1ccccc1)c1ncnc(S[*:1])c1N
CCN(CCOc1cccc(C)c1)C(=O)c1cccc(C(C)=O)c1 Cc1cccc(c1)O[*:1] CCN(CC[*:1])C(=O)c1cccc(c1)C(C)=O
CCN(CCOc1cccc(C)c1)C(=O)c1cccc(C(C)=O)c1 CC(=O)[*:1] CCN(CCOc1cccc(C)c1)C(=O)c1cccc(c1)[*:1]
CCN(CCOc1cccc(C)c1)C(=O)c1cccc(C(C)=O)c1 Cc1cccc(c1)[*:1] CCN(CCO[*:1])C(=O)c1cccc(c1)C(C)=O
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c(F)c2)n1N Fc1ccc(cc1F)[*:1] COc1ccccc1-c1nnc(SCC(=O)N[*:1])n1N
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c(F)c2)n1N COc1ccccc1[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1ccc(F)c(F)c1
CCCN/C(=[NH+]/CC)N1CCN(c2cccc(OC)c2)CC1 CCC[*:1] CC/[NH+]=C(/N[*:1])N1CCN(CC1)c1cccc(c1)OC
Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)C2=O CC(C)[*:1] Cc1ccc2C(=O)N(CC(=O)Nc3c(C)cccc3[*:1])C(=O)c2c1
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC[C@@H]4CCCO4)c3N2)cc1 O=C(NC[C@@H]1CCCO1)[*:1] Cc1ccc(cc1)[C@@H]1C[C@H](n2ncc(c2N1)[*:1])C(F)(F)F
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC[C@@H]4CCCO4)c3N2)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)[C@@H]1C[C@H](n2ncc(C(=O)NC[*:1])c2N1)C(F)(F)F
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC[C@@H]4CCCO4)c3N2)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)[C@@H]1C[C@H](n2ncc(C(=O)N[*:1])c2N1)C(F)(F)F
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC[C@@H]4CCCO4)c3N2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)c1cnn2c1N[C@@H](C[C@H]2C(F)(F)F)[*:1]
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC[C@@H]4CCCO4)c3N2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H]1C[C@@H](n2ncc(C(=O)NC[C@@H]3CCCO3)c2N1)[*:1]
COc1ccc2[nH]c(C)c(C(=O)C[NH+](C)CC3OCCO3)c2c1 C1COC(O1)[*:1] COc1ccc2[nH]c(C)c(C(=O)C[NH+](C)C[*:1])c2c1
C[NH2+][C@H](C(C)C)[C@H](C)c1ccc(F)cc1Cl CC(C)[*:1] C[NH2+][C@H]([C@H](C)c1ccc(F)cc1Cl)[*:1]
CC(C)COc1cccc(NC(=O)C[C@H]2[NH2+]CCNC2=O)c1 CC(C)[*:1] O=C(C[C@H]1[NH2+]CCNC1=O)Nc1cccc(c1)OC[*:1]
CC(C)COc1cccc(NC(=O)C[C@H]2[NH2+]CCNC2=O)c1 CC(C)CO[*:1] O=C(C[C@H]1[NH2+]CCNC1=O)Nc1cccc(c1)[*:1]
CC(C)COc1cccc(NC(=O)C[C@H]2[NH2+]CCNC2=O)c1 CC(C)C[*:1] O=C(C[C@H]1[NH2+]CCNC1=O)Nc1cccc(c1)O[*:1]
Cn1cc(S[C@@H]2CC[C@@](CO)([NH2+]C3CC3)C2)cn1 Cn1cc(cn1)[*:1] OC[C@]1(CC[C@H](C1)S[*:1])[NH2+]C1CC1
Cn1cc(S[C@@H]2CC[C@@](CO)([NH2+]C3CC3)C2)cn1 C1CC1[*:1] Cn1cc(cn1)S[C@@H]1CC[C@](CO)(C1)[NH2+][*:1]
C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCCC[C@H]1CO C#CCO[*:1] O=C(Nc1cc(F)ccc1[*:1])N[C@@H]1CCCC[C@H]1CO
C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCCC[C@H]1CO C#CC[*:1] O=C(Nc1cc(F)ccc1O[*:1])N[C@@H]1CCCC[C@H]1CO
C[C@@H](c1cccc([N+](=O)[O-])c1)N(CC(=O)[O-])CC(F)(F)F O=[N+]([O-])[*:1] C[C@@H](c1cccc(c1)[*:1])N(CC(=O)[O-])CC(F)(F)F
C[C@@H](c1cccc([N+](=O)[O-])c1)N(CC(=O)[O-])CC(F)(F)F FC(F)(F)[*:1] C[C@@H](c1cccc(c1)[N+](=O)[O-])N(CC(=O)[O-])C[*:1]
C[C@@H](c1cccc([N+](=O)[O-])c1)N(CC(=O)[O-])CC(F)(F)F O=C([O-])C[*:1] C[C@@H](c1cccc(c1)[N+](=O)[O-])N(CC(F)(F)F)[*:1]
C[C@@H](c1cccc([N+](=O)[O-])c1)N(CC(=O)[O-])CC(F)(F)F O=C([O-])[*:1] C[C@@H](c1cccc(c1)[N+](=O)[O-])N(CC(F)(F)F)C[*:1]
C[C@@H](c1cccc([N+](=O)[O-])c1)N(CC(=O)[O-])CC(F)(F)F FC(F)(F)C[*:1] C[C@@H](c1cccc(c1)[N+](=O)[O-])N(CC(=O)[O-])[*:1]
CCCNc1cccc(Cn2cc[nH+]c2C(C)C)n1 CCC[*:1] CC(C)c1[nH+]ccn1Cc1cccc(n1)N[*:1]
CCCNc1cccc(Cn2cc[nH+]c2C(C)C)n1 CC(C)[*:1] CCCNc1cccc(Cn2cc[nH+]c2[*:1])n1
CCCNc1cccc(Cn2cc[nH+]c2C(C)C)n1 CCCN[*:1] CC(C)c1[nH+]ccn1Cc1cccc(n1)[*:1]
Cc1cc([C@H](C)NC(=O)/C=C/c2ccc(OCC#N)cc2)c(C)s1 N#CCO[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)/C=C/c1ccc(cc1)[*:1]
Cc1cc([C@H](C)NC(=O)/C=C/c2ccc(OCC#N)cc2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)/C=C/c1ccc(cc1)OCC#N)[*:1]
Cc1cc([C@H](C)NC(=O)/C=C/c2ccc(OCC#N)cc2)c(C)s1 N#CC[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)/C=C/c1ccc(cc1)O[*:1]
N#CCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3ccccc3c2)cc1 N#CCc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1
N#CCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3ccccc3c2)cc1 N#CC[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1
N#CCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3ccccc3c2)cc1 c1ccc2cc(ccc2c1)[*:1] N#CCc1ccc(cc1)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
Cc1csc([C@@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCC2)n1 Brc1ccc(cc1)[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)C1(CCC1)[*:1]
Cc1csc([C@@H](C#N)C(=O)C2(c3ccc(Br)cc3)CCC2)n1 Cc1csc(n1)[*:1] N#C[C@@H](C(=O)C1(CCC1)c1ccc(Br)cc1)[*:1]
COC[C@H](C)NC(=O)Cc1coc2cc(OC)ccc12 COC[C@H](C)[*:1] COc1ccc2c(coc2c1)CC(=O)N[*:1]
COC[C@H](C)NC(=O)Cc1coc2cc(OC)ccc12 COC[*:1] COc1ccc2c(coc2c1)CC(=O)N[C@@H](C)[*:1]
Cc1cc(F)cc(NC(=O)NC[C@](C)(O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cc(F)cc(c1)NC(=O)NC[C@](C)(O)[*:1]
O=S(=O)(/N=C(\[O-])c1ccc(Br)o1)C1CCCC1 C1CCC(C1)[*:1] O=S(=O)(/N=C(\[O-])c1ccc(Br)o1)[*:1]
Cc1cccc(C[S@@](=O)Cc2nc(CCC(C)C)no2)c1 CC(C)C[*:1] Cc1cccc(c1)C[S@@](=O)Cc1nc(C[*:1])no1
Cc1cccc(C[S@@](=O)Cc2nc(CCC(C)C)no2)c1 CC(C)[*:1] Cc1cccc(c1)C[S@@](=O)Cc1nc(CC[*:1])no1
Cc1cccc(C[S@@](=O)Cc2nc(CCC(C)C)no2)c1 CC(C)CC[*:1] Cc1cccc(c1)C[S@@](=O)Cc1nc(no1)[*:1]
Cc1cccc(C[S@@](=O)Cc2nc(CCC(C)C)no2)c1 Cc1cccc(c1)[*:1] CC(C)CCc1noc(C[S@](=O)C[*:1])n1
CC(C)CNC(=O)[C@H]1CSCN1C(=O)Cc1c[nH]c2ccccc12 CC(C)C[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)Cc1c[nH]c2ccccc12
CC(C)CNC(=O)[C@H]1CSCN1C(=O)Cc1c[nH]c2ccccc12 CC(C)CNC(=O)[*:1] O=C(Cc1c[nH]c2ccccc12)N1CSC[C@@H]1[*:1]
CC(C)CNC(=O)[C@H]1CSCN1C(=O)Cc1c[nH]c2ccccc12 CC(C)[*:1] O=C(NC[*:1])[C@H]1CSCN1C(=O)Cc1c[nH]c2ccccc12
Cc1ccc(CCNC(=O)N[C@H](C)CCCO)cn1 OCC[*:1] Cc1ccc(cn1)CCNC(=O)N[C@H](C)C[*:1]
Cc1ccc(CCNC(=O)N[C@H](C)CCCO)cn1 OCCC[*:1] Cc1ccc(cn1)CCNC(=O)N[C@H](C)[*:1]
Cc1ccc(CCNC(=O)N[C@H](C)CCCO)cn1 C[C@H](CCCO)[*:1] Cc1ccc(cn1)CCNC(=O)N[*:1]
CCN(CC)C(=O)CCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(CC)C(=O)CCC(=O)N(CC)[*:1]
CCN(CC)C(=O)CCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 CCN(CC)C(=O)[*:1] CCN(C(=O)CC[*:1])[C@@H]1CCS(=O)(=O)C1
CN1C(=O)CCN(C/C([O-])=N/c2ncn[nH]2)C1=O c1n[nH]c(n1)[*:1] CN1C(=O)CCN(CC([O-])=N[*:1])C1=O
CC(C)c1nnc(C[NH+]2CCC(c3ccc(F)cc3)CC2)o1 CC(C)[*:1] Fc1ccc(cc1)C1CC[NH+](CC1)Cc1nnc(o1)[*:1]
CC(C)c1nnc(C[NH+]2CCC(c3ccc(F)cc3)CC2)o1 Fc1ccc(cc1)[*:1] CC(C)c1nnc(C[NH+]2CCC(CC2)[*:1])o1
CCN(C(=O)[C@H](C)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)[C@H](C)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1C)[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)N[C@H]2CCc3cc(F)ccc32)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CNC(=O)N[C@H]1CCc2cc(F)ccc21)N[*:1]
CCCCCO[C@H]1Cc2ccc(OC)cc2[C@H]1O CCCCCO[*:1] COc1ccc2C[C@@H]([C@H](O)c2c1)[*:1]
CCCCCO[C@H]1Cc2ccc(OC)cc2[C@H]1O CCC[*:1] COc1ccc2C[C@H](OCC[*:1])[C@H](O)c2c1
CCCCCO[C@H]1Cc2ccc(OC)cc2[C@H]1O CCCC[*:1] COc1ccc2C[C@H](OC[*:1])[C@H](O)c2c1
CCCCCO[C@H]1Cc2ccc(OC)cc2[C@H]1O CCCCC[*:1] COc1ccc2C[C@H](O[*:1])[C@H](O)c2c1
O=C([O-])c1ccc(CN2CC[NH2+]CC2)c(Br)c1 O=C([O-])[*:1] Brc1cc(ccc1CN1CC[NH2+]CC1)[*:1]
C/C(NC[C@@H]1CCCO1)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O C1CO[C@@H](C1)C[*:1] C/C(N[*:1])=C1\C(=O)NC(=O)N(C1=O)C1CCCCC1
C/C(NC[C@@H]1CCCO1)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O C1CCC(CC1)[*:1] C/C(NC[C@@H]1CCCO1)=C1\C(=O)NC(=O)N(C1=O)[*:1]
C/C(NC[C@@H]1CCCO1)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O C1CO[C@@H](C1)[*:1] C/C(NC[*:1])=C1\C(=O)NC(=O)N(C1=O)C1CCCCC1
Cc1ccc([C@@H]2CC(=O)C[C@H](c3ccc(C)cc3)[NH2+]2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1CC(=O)C[C@H]([NH2+]1)[*:1]
COCCCNC(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2 COC[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)NCC[*:1]
COCCCNC(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2 COCCC[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)N[*:1]
COCCCNC(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2 COCC[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)NC[*:1]
CCOc1ccc(COc2ccccc2OC)nc1 CCO[*:1] COc1ccccc1OCc1ccc(cn1)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N3CCNC(=O)[C@@H]3CC)ccc21 CCC[*:1] CC[C@H]1C(=O)NCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
Cc1ccc(OCc2nc(-c3ccncc3)no2)c(Br)c1 c1cc(ccn1)[*:1] Cc1ccc(OCc2nc(no2)[*:1])c(Br)c1
Cc1ccccc1[C@@H](O)CNC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] Cc1ccccc1[C@@H](O)CNC(=O)[*:1]
CC[C@H](C)S[C@@H]1CCCCC[C@@H]1C#N CC[C@H](C)[*:1] N#C[C@H]1CCCCC[C@H]1S[*:1]
FC(F)(F)c1ccc(C[NH+](Cc2nc(C3CC3)no2)C2CC2)cc1 C1CC1[*:1] FC(F)(F)c1ccc(cc1)C[NH+](Cc1nc(no1)C1CC1)[*:1]
FC(F)(F)c1ccc(C[NH+](Cc2nc(C3CC3)no2)C2CC2)cc1 FC(F)(F)[*:1] c1cc(ccc1C[NH+](Cc1nc(no1)C1CC1)C1CC1)[*:1]
FC(F)(F)c1ccc(C[NH+](Cc2nc(C3CC3)no2)C2CC2)cc1 C1CC1c1noc(n1)[*:1] FC(F)(F)c1ccc(cc1)C[NH+](C[*:1])C1CC1
FC(F)(F)c1ccc(C[NH+](Cc2nc(C3CC3)no2)C2CC2)cc1 C1CC1[*:1] FC(F)(F)c1ccc(cc1)C[NH+](Cc1nc(no1)[*:1])C1CC1
Cc1n[nH]c(C)c1NC(=O)CNC(=O)NCc1ccc(F)cc1 Cc1n[nH]c(C)c1[*:1] O=C(CNC(=O)NCc1ccc(F)cc1)N[*:1]
Cc1n[nH]c(C)c1NC(=O)CNC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1NC(=O)CNC(=O)NC[*:1]
CC(C)Cn1nccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 CC(C)Cn1nccc1[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1
CC(C)Cn1nccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)Cn1nccc1NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)Cn1nccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)C(=O)Nc1ccnn1C[*:1])c1ccccc1
CC(C)Cn1nccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 O=C(N[*:1])c1ccccc1 CC(C)Cn1nccc1NC(=O)c1ccc(cc1)[*:1]
CC(C)Cn1nccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)C(=O)Nc1ccnn1[*:1])c1ccccc1
C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1c[nH]cn1 c1nc(c[nH]1)[*:1] C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C[*:1]
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1 O=c1ccc(n[nH]1)[*:1] COc1ccc(cc1)NC(=O)CN(C)S(=O)(=O)c1ccc(s1)[*:1]
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1 COc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc(s1)-c1ccc(=O)[nH]n1
C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2C)S1)c1ccc([N+](=O)[O-])cc1 Cc1ccccc1NC(=O)[*:1] C/C(=N/N=C1/NC(=O)[C@@H](C[*:1])S1)c1ccc(cc1)[N+](=O)[O-]
C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2C)S1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2C)S1)c1ccc(cc1)[*:1]
C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2C)S1)c1ccc([N+](=O)[O-])cc1 Cc1ccccc1[*:1] C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)N[*:1])S1)c1ccc(cc1)[N+](=O)[O-]
C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2C)S1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2C)S1)[*:1]
NC(=O)[C@H](Sc1nc([O-])c2cnn(-c3ccccc3)c2n1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](Sc1nc([O-])c2cnn(c2n1)[*:1])c1ccccc1
NC(=O)[C@H](Sc1nc([O-])c2cnn(-c3ccccc3)c2n1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](Sc1nc([O-])c2cnn(-c3ccccc3)c2n1)[*:1]
NC(=O)[C@H](Sc1nc([O-])c2cnn(-c3ccccc3)c2n1)c1ccccc1 NC(=O)[*:1] [O-]c1nc(nc2c1cnn2-c1ccccc1)S[C@H](c1ccccc1)[*:1]
Cn1c([C@H]2CCCN(C(=O)CCc3cccnc3)C2)n[nH]c1=S c1cncc(c1)[*:1] Cn1c(n[nH]c1=S)[C@H]1CCCN(C1)C(=O)CC[*:1]
Cn1c([C@H]2CCCN(C(=O)CCc3cccnc3)C2)n[nH]c1=S c1cncc(c1)C[*:1] Cn1c(n[nH]c1=S)[C@H]1CCCN(C1)C(=O)C[*:1]
Cn1c([C@H]2CCCN(C(=O)CCc3cccnc3)C2)n[nH]c1=S Cn1c(n[nH]c1=S)[*:1] O=C(CCc1cccnc1)N1CCC[C@@H](C1)[*:1]
CC(C)Oc1cncc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 Fc1ccc(F)c(c1)[*:1] CC(C)Oc1cncc(c1)C(=O)N1C[C@@H](O)C[C@@H]1[*:1]
CC(C)Oc1cncc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 CC(C)O[*:1] O=C(c1cncc(c1)[*:1])N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F
CC(C)Oc1cncc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 CC(C)[*:1] O=C(c1cncc(c1)O[*:1])N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F
CCOc1cc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] CCO[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)c1ccc(c(c1)[*:1])[N+](=O)[O-]
CCOc1cc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] C[S@](=O)[*:1] CCOc1cc(ccc1[N+](=O)[O-])N(C)[C@H](C)c1ccc(cc1)[*:1]
CCOc1cc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1cc(ccc1[*:1])N(C)[C@H](C)c1ccc(cc1)[S@](C)=O
O=C(Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O)Nc1nccs1 c1csc(n1)[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCC(CC1)C(=O)NC1CC1)N[*:1]
O=C(Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O)Nc1nccs1 O=C(C[*:1])Nc1nccs1 O=C(NC1CC1)C1CCN(CC1)c1nc2ncn(c(=O)c2s1)[*:1]
O=C(Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O)Nc1nccs1 O=C(NC1CC1)[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCC(CC1)[*:1])Nc1nccs1
O=C(Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] O=C(NC1CC1)C1CCN(CC1)c1nc2ncn(C[*:1])c(=O)c2s1
O=C(Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O)Nc1nccs1 C1CC1[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCC(CC1)C(=O)N[*:1])Nc1nccs1
COc1ccc(-n2ccc3c(c(C)nc4ccn(-c5ccccc5)c(=O)c43)c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-n1ccc2c(c(C)nc3ccn(c(=O)c32)[*:1])c1=O
COc1ccc(-n2ccc3c(c(C)nc4ccn(-c5ccccc5)c(=O)c43)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1nc2ccn(-c3ccccc3)c(=O)c2c2ccn(c(=O)c12)[*:1]
C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)CCC#N)c2C1 CN(CCC#N)C(=O)C[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)O[*:1])c2C1
C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)CCC#N)c2C1 N#CCC[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)[*:1])c2C1
C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)CCC#N)c2C1 N#CC[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)C[*:1])c2C1
C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)CCC#N)c2C1 CN(CCC#N)C(=O)[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)OC[*:1])c2C1
CCCCOc1ccccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 CCC[*:1] O=C(Nc1ccccc1OC[*:1])N1CCCC[C@@H]1c1[nH]cc[nH+]1
CCCCOc1ccccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 CCCCO[*:1] O=C(Nc1ccccc1[*:1])N1CCCC[C@@H]1c1[nH]cc[nH+]1
CCCCOc1ccccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 CCCC[*:1] O=C(Nc1ccccc1O[*:1])N1CCCC[C@@H]1c1[nH]cc[nH+]1
Cc1ccncc1NC(=O)N1CCC(CN2CCc3ccccc32)CC1 Cc1ccncc1[*:1] O=C(N[*:1])N1CCC(CC1)CN1CCc2ccccc21
Cc1cc(Cl)c(N)cc1S(=O)(=O)N[C@@H](C)C1CC1 C1CC1[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)N[C@@H](C)[*:1]
Cc1cc(Cl)c(N)cc1S(=O)(=O)N[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)N[*:1]
Cc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(Cl)cc2)c1 Cc1cccc(c1)NC(=O)[*:1] Cc1ncc(CO)c2cc(/c(=N/c3ccc(Cl)cc3)oc12)[*:1]
Cc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)c1cc2c(cnc(C)c2oc1=N[*:1])CO
Cc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(Cl)cc2)c1 Cc1cccc(c1)[*:1] Cc1ncc(CO)c2cc(C(=O)N[*:1])/c(=N/c3ccc(Cl)cc3)oc12
CN(C)C(=O)COc1cccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)c1 CN(C)C(=O)[*:1] O=C(/C=C/c1cc(ccc1Cl)[N+](=O)[O-])c1cccc(c1)OC[*:1]
CN(C)C(=O)COc1cccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)c1 CN(C)C(=O)C[*:1] O=C(/C=C/c1cc(ccc1Cl)[N+](=O)[O-])c1cccc(c1)O[*:1]
CN(C)C(=O)COc1cccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)c1 O=[N+]([O-])[*:1] CN(C)C(=O)COc1cccc(c1)C(=O)/C=C/c1cc(ccc1Cl)[*:1]
CN(C)C(=O)COc1cccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)c1 CN(C)C(=O)CO[*:1] O=C(/C=C/c1cc(ccc1Cl)[N+](=O)[O-])c1cccc(c1)[*:1]
Cc1c(C)c2c(OCC(=O)N[C@H](C)CO)cc3c(c2oc1=O)CCC(C)(C)O3 C[C@H](CO)NC(=O)C[*:1] Cc1c(C)c2c(cc3OC(C)(C)CCc3c2oc1=O)O[*:1]
Cc1c(C)c2c(OCC(=O)N[C@H](C)CO)cc3c(c2oc1=O)CCC(C)(C)O3 C[C@H](CO)[*:1] Cc1c(C)c2c(cc3OC(C)(C)CCc3c2oc1=O)OCC(=O)N[*:1]
Cc1c(C)c2c(OCC(=O)N[C@H](C)CO)cc3c(c2oc1=O)CCC(C)(C)O3 C[C@H](CO)NC(=O)[*:1] Cc1c(C)c2c(cc3OC(C)(C)CCc3c2oc1=O)OC[*:1]
Cc1c(C)c2c(OCC(=O)N[C@H](C)CO)cc3c(c2oc1=O)CCC(C)(C)O3 C[C@H](CO)NC(=O)CO[*:1] Cc1c(C)c2c(cc3OC(C)(C)CCc3c2oc1=O)[*:1]
Cc1c(C(=O)Nc2cccc(Oc3ncccn3)c2)oc2c1C(=O)CC(C)(C)C2 c1cnc(nc1)O[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)Nc1cccc(c1)[*:1]
Cc1c(C(=O)Nc2cccc(Oc3ncccn3)c2)oc2c1C(=O)CC(C)(C)C2 c1cnc(nc1)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)Nc1cccc(c1)O[*:1]
C[C@H](O)CCC(=O)N[C@H](C)c1nccs1 C[C@H](O)[*:1] C[C@@H](NC(=O)CC[*:1])c1nccs1
C[C@H](O)CCC(=O)N[C@H](C)c1nccs1 c1csc(n1)[*:1] C[C@H](O)CCC(=O)N[C@H](C)[*:1]
C[C@H](O)CCC(=O)N[C@H](C)c1nccs1 C[C@H](O)CC[*:1] C[C@@H](NC(=O)[*:1])c1nccs1
C[C@H](O)CCC(=O)N[C@H](C)c1nccs1 C[C@H](O)C[*:1] C[C@@H](NC(=O)C[*:1])c1nccs1
Cc1cc(C)n(-c2ccc(N3CCN(Cc4cccnc4)CC3)nn2)n1 c1cncc(c1)C[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCN(CC1)[*:1]
Cc1cc(C)n(-c2ccc(N3CCN(Cc4cccnc4)CC3)nn2)n1 Cc1cc(C)n(n1)[*:1] c1cncc(c1)CN1CCN(CC1)c1ccc(nn1)[*:1]
Cc1cc(C)n(-c2ccc(N3CCN(Cc4cccnc4)CC3)nn2)n1 c1cncc(c1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCN(CC1)C[*:1]
CC(C)n1cnnc1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 CC(C)n1cnnc1[*:1] c1c2CCCCc2cc2c1OCCC[C@H]2[NH2+]C[*:1]
CC(C)n1cnnc1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 CC(C)[*:1] c1c2CCCCc2cc2c1OCCC[C@H]2[NH2+]Cc1nncn1[*:1]
Cc1nn(C)c(C)c1NC(=O)CSC[C@@H](O)CO OC[C@H](O)C[*:1] Cc1nn(C)c(C)c1NC(=O)CS[*:1]
Cc1nn(C)c(C)c1NC(=O)CSC[C@@H](O)CO OC[C@H](O)[*:1] Cc1nn(C)c(C)c1NC(=O)CSC[*:1]
Cc1nn(C)c(C)c1NC(=O)CSC[C@@H](O)CO OC[C@H](O)CS[*:1] Cc1nn(C)c(C)c1NC(=O)C[*:1]
C[C@@H]1Oc2ccc(NC(=O)[C@H]3CCCN(c4nc5ccccc5s4)C3)cc2NC1=O c1ccc2sc(nc2c1)[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)[C@H]1CCCN(C1)[*:1]
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccn(C)n2)CC1 Cn1ccc(n1)[*:1] COC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccn(C)n2)CC1 COC(=O)[*:1] Cn1ccc(n1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccn(C)n2)CC1 Cn1ccc(n1)NC(=O)[*:1] COC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(SC)cc2)sc2c1CC[NH+](CC)C2 CSc1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2C[NH+](CC)CCc21
CCOC(=O)c1c(NC(=O)c2ccc(SC)cc2)sc2c1CC[NH+](CC)C2 CCOC(=O)[*:1] CC[NH+]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)SC)c2[*:1]
CCCc1nc(Cn2cccc2[C@H](C)[NH3+])no1 CCC[*:1] C[C@H]([NH3+])c1cccn1Cc1noc(n1)[*:1]
CCSc1nnc(-c2ccccc2NC(=O)c2csnn2)c([O-])n1 c1snnc1[*:1] CCSc1nnc(-c2ccccc2NC(=O)[*:1])c([O-])n1
CCSc1nnc(-c2ccccc2NC(=O)c2csnn2)c([O-])n1 O=C(N[*:1])c1csnn1 CCSc1nnc(-c2ccccc2[*:1])c([O-])n1
CCSc1nnc(-c2ccccc2NC(=O)c2csnn2)c([O-])n1 CCS[*:1] O=C(Nc1ccccc1-c1nnc(nc1[O-])[*:1])c1csnn1
C/[NH+]=C(/NCc1ccc(C(=O)N(C)C)cc1)NC(C)C CN(C)C(=O)[*:1] C/[NH+]=C(/NCc1ccc(cc1)[*:1])NC(C)C
C/[NH+]=C(/NCc1ccc(C(=O)N(C)C)cc1)NC(C)C CC(C)[*:1] C/[NH+]=C(/NCc1ccc(cc1)C(=O)N(C)C)N[*:1]
CC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)c1ccccc1NC(=O)CCS(=O)(=O)[*:1]
CC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 CC(=O)[*:1] O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1[*:1]
Cc1c(F)cccc1NC(=O)NCc1ccsc1 c1cc(cs1)C[*:1] Cc1c(F)cccc1NC(=O)N[*:1]
Cc1c(F)cccc1NC(=O)NCc1ccsc1 c1cc(cs1)[*:1] Cc1c(F)cccc1NC(=O)NC[*:1]
Cc1cccc(C)c1NC(=O)c1nnn(-c2nc(C)c(C)s2)c1C Cc1cccc(C)c1[*:1] Cc1nc(sc1C)-n1nnc(C(=O)N[*:1])c1C
Cc1cccc(C)c1NC(=O)c1nnn(-c2nc(C)c(C)s2)c1C Cc1nc(sc1C)[*:1] Cc1cccc(C)c1NC(=O)c1nnn(c1C)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@](C)(O)c1cccs1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[C@@](C)(O)c1cccs1)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@](C)(O)c1cccs1 c1csc(c1)[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[C@@](C)(O)[*:1])[N+](=O)[O-]
C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1nc(cs1)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)N[C@@H]3C[C@H]3C)cn2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H]1C[C@H]1NC(=O)Nc1ccc(nc1)[*:1]
O=C(N[C@@H]1CCC[NH2+]C1)c1cnc(-c2cccnc2)nc1[O-] c1cncc(c1)[*:1] O=C(N[C@@H]1CCC[NH2+]C1)c1cnc(nc1[O-])[*:1]
COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O COCC[*:1] O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C[*:1]
COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O COCCC[*:1] O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1[*:1]
COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O COC[*:1] O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1CC[*:1]
COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O Oc1ccc(cc1)C[*:1] COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N[C@H]2[*:1])C(=O)Nc2ccccc21
COCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O Oc1ccc(cc1)[*:1] COCCCN1C(=O)[C@@H]2[C@@H](C[*:1])N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O
CC(C)c1nn(C)c(Cl)c1CN1CCO[C@@]2(CCc3ccccc32)C1 CC(C)[*:1] Cn1nc(c(CN2CCO[C@@]3(CCc4ccccc43)C2)c1Cl)[*:1]
O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1CN1CCOCC1 C1CN(CCO1)C[*:1] O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1[*:1]
O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1CN1CCOCC1 c1ccc(cc1)[*:1] O=c1[nH]c2ccc(Br)cc2c(c1CN1CCOCC1)[*:1]
O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1CN1CCOCC1 C1CN(CCO1)[*:1] O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C[*:1]
CCCCN(C)S(=O)(=O)N(C)C1CCC([NH3+])CC1 CCC[*:1] CN(C[*:1])S(=O)(=O)N(C)C1CCC([NH3+])CC1
CCCCN(C)S(=O)(=O)N(C)C1CCC([NH3+])CC1 CCCC[*:1] CN(C1CCC([NH3+])CC1)S(=O)(=O)N(C)[*:1]
[NH3+][C@@H](CCC1=c2ccccc2=[NH+]C1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@@H](CCC1C[NH+]=c2ccccc2=1)[*:1]
Cc1nc2c3ccccc3nn2c(C)c1CC(=O)NCCCO OCCC[*:1] Cc1nc2c3ccccc3nn2c(C)c1CC(=O)N[*:1]
Cc1nc2c3ccccc3nn2c(C)c1CC(=O)NCCCO O=C(NCCCO)[*:1] Cc1nc2c3ccccc3nn2c(C)c1C[*:1]
Cc1nc2c3ccccc3nn2c(C)c1CC(=O)NCCCO OCC[*:1] Cc1nc2c3ccccc3nn2c(C)c1CC(=O)NC[*:1]
Cc1ccc(C(=O)c2cccc(C)c2C(=O)[O-])c(C)c1 O=C([O-])[*:1] Cc1ccc(C(=O)c2cccc(C)c2[*:1])c(C)c1
COc1ccc(C)cc1[C@H](CC[NH2+]C(C)C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1[C@H](CC[NH2+]C(C)C)[*:1]
COc1ccc(C)cc1[C@H](CC[NH2+]C(C)C)c1ccccc1 CC(C)[*:1] COc1ccc(C)cc1[C@H](CC[NH2+][*:1])c1ccccc1
Cc1cc(C)n(Cc2cccc(-c3noc(CCc4nc(C)no4)n3)c2)n1 Cc1noc(C[*:1])n1 Cc1cc(C)n(Cc2cccc(c2)-c2noc(C[*:1])n2)n1
Cc1cc(C)n(Cc2cccc(-c3noc(CCc4nc(C)no4)n3)c2)n1 Cc1cc(C)n(n1)[*:1] Cc1noc(CCc2nc(no2)-c2cccc(c2)C[*:1])n1
Cc1cc(C)n(Cc2cccc(-c3noc(CCc4nc(C)no4)n3)c2)n1 Cc1noc(n1)[*:1] Cc1cc(C)n(Cc2cccc(c2)-c2noc(CC[*:1])n2)n1
Cc1cc(C)n(Cc2cccc(-c3noc(CCc4nc(C)no4)n3)c2)n1 Cc1cc(C)n(C[*:1])n1 Cc1noc(CCc2nc(no2)-c2cccc(c2)[*:1])n1
Cc1cc(C)n(Cc2cccc(-c3noc(CCc4nc(C)no4)n3)c2)n1 Cc1noc(CC[*:1])n1 Cc1cc(C)n(Cc2cccc(c2)-c2noc(n2)[*:1])n1
Cc1noc(C)c1[C@H](C)NC(=O)CCSCc1ccccn1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)CCSCc1ccccn1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)CCSCc1ccccn1 c1ccc(C[*:1])nc1 Cc1noc(C)c1[C@H](C)NC(=O)CCS[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)CCSCc1ccccn1 c1ccc(nc1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)CCSC[*:1]
O=C(OCCCc1ccccc1)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(OCCCc1ccccc1)c1cc([nH]n1)[*:1]
O=C(OCCCc1ccccc1)c1cc(C2CC2)[nH]n1 c1ccc(cc1)[*:1] O=C(OCCC[*:1])c1cc([nH]n1)C1CC1
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCc1cccc(C(N)=O)c1 NC(=O)[*:1] C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCc1cccc(c1)[*:1]
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCc1cccc(C(N)=O)c1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H]1[NH2+]CCc1cccc(c1)C(N)=O)C[*:1]
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCc1cccc(C(N)=O)c1 c1ccc(cc1)C[*:1] C[C@@H]1CN(C[C@@H]1[NH2+]CCc1cccc(c1)C(N)=O)[*:1]
Cc1ccc(C)c(OC2CCN(Cc3scnc3C)CC2)c1 Cc1ncsc1[*:1] Cc1ccc(C)c(c1)OC1CCN(CC1)C[*:1]
Cc1ccc(C)c(OC2CCN(Cc3scnc3C)CC2)c1 Cc1ncsc1C[*:1] Cc1ccc(C)c(c1)OC1CCN(CC1)[*:1]
Cc1c([C@H](c2ccccc2F)c2c([O-])cc(C)n(C)c2=O)c([O-])cc(=O)n1C Fc1ccccc1[*:1] Cc1c(c([O-])cc(=O)n1C)[C@H](c1c([O-])cc(C)n(C)c1=O)[*:1]
CCN(Cc1ccccn1)C(=O)CCc1ccc(C(C)C)cc1 c1ccc(C[*:1])nc1 CCN(C(=O)CCc1ccc(cc1)C(C)C)[*:1]
CCN(Cc1ccccn1)C(=O)CCc1ccc(C(C)C)cc1 CC(C)[*:1] CCN(Cc1ccccn1)C(=O)CCc1ccc(cc1)[*:1]
CCN(Cc1ccccn1)C(=O)CCc1ccc(C(C)C)cc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)CCc1ccc(cc1)C(C)C
C[NH+]1CCN(C(=O)CN2CCO[C@H](c3ccccc3F)C2)CC1 Fc1ccccc1[*:1] C[NH+]1CCN(CC1)C(=O)CN1CCO[C@H](C1)[*:1]
FC(F)(F)CCn1c(=S)[nH]c2cc(Br)cnc21 FC(F)(F)C[*:1] S=c1[nH]c2cc(Br)cnc2n1C[*:1]
FC(F)(F)CCn1c(=S)[nH]c2cc(Br)cnc21 FC(F)(F)[*:1] S=c1[nH]c2cc(Br)cnc2n1CC[*:1]
O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1OC[C@@H]1CCCO1 O=C(N1CCCCC1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccccc1OC[C@@H]1CCCO1
Cc1ccccc1Cc1noc(CN2CCN(c3cccc[nH+]3)CC2)n1 Cc1ccccc1[*:1] c1ccc([nH+]c1)N1CCN(CC1)Cc1nc(C[*:1])no1
Cc1ccccc1Cc1noc(CN2CCN(c3cccc[nH+]3)CC2)n1 Cc1ccccc1C[*:1] c1ccc([nH+]c1)N1CCN(CC1)Cc1nc(no1)[*:1]
CCCCCC(C)(C)CNC(=O)[C@@H]1CCO[C@@H]1C CCCCC[*:1] C[C@H]1OCC[C@H]1C(=O)NCC(C)(C)[*:1]
CCCCCC(C)(C)CNC(=O)[C@@H]1CCO[C@@H]1C CCCC[*:1] C[C@H]1OCC[C@H]1C(=O)NCC(C)(C)C[*:1]
CCCCCC(C)(C)CNC(=O)[C@@H]1CCO[C@@H]1C CCC[*:1] C[C@H]1OCC[C@H]1C(=O)NCC(C)(C)CC[*:1]
Cn1cc[nH+]c1C[C@@H]([NH3+])C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] Cn1cc[nH+]c1C[C@@H]([NH3+])C(C)(C)[*:1]
CC/[NH+]=C(/NC[C@@H](O)c1ccccc1F)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC/[NH+]=C(/NC[C@@H](O)c1ccccc1F)N[*:1]
CC/[NH+]=C(/NC[C@@H](O)c1ccccc1F)N[C@@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] CC/[NH+]=C(/NC[C@@H](O)[*:1])N[C@@H]1CCS(=O)(=O)C1
C[C@H](Cc1cccs1)N(C)C(=O)c1cc(N2CCNC2=O)ccc1F O=C1NCCN1[*:1] C[C@H](Cc1cccs1)N(C)C(=O)c1cc(ccc1F)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1cc(N2CCNC2=O)ccc1F c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1cc(ccc1F)N1CCNC1=O
C[C@H](Cc1cccs1)N(C)C(=O)c1cc(N2CCNC2=O)ccc1F c1csc(c1)C[*:1] C[C@H](N(C)C(=O)c1cc(ccc1F)N1CCNC1=O)[*:1]
COc1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c(Cl)c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)NCCc2cccc(c2)[*:1])c(Cl)c1
Cc1sc(NC(=O)COc2ccc(Br)cc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)COc1ccc(Br)cc1
Cc1sc(NC(=O)COc2ccc(Br)cc2)nc1-c1ccccc1 Brc1ccc(cc1)[*:1] Cc1sc(nc1-c1ccccc1)NC(=O)CO[*:1]
Cc1sc(NC(=O)COc2ccc(Br)cc2)nc1-c1ccccc1 Brc1ccc(cc1)O[*:1] Cc1sc(nc1-c1ccccc1)NC(=O)C[*:1]
C[C@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)C[C@@H](C)O C[C@H](C[C@@H](C)O)[*:1] O=C(NC[*:1])N[C@@H]1CCc2c(O)cccc21
C[C@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)C[*:1]
C[C@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)[*:1]
C[C@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)C[C@@H](C)O C[C@@H](C[C@@H](C)O)C[*:1] O=C(N[C@@H]1CCc2c(O)cccc21)N[*:1]
CCCCc1nnc(NC(=O)C(=O)NC[C@H]2CCC[C@H](O)C2)s1 CCC[*:1] O=C(NC[C@H]1CCC[C@H](O)C1)C(=O)Nc1nnc(C[*:1])s1
CCCCc1nnc(NC(=O)C(=O)NC[C@H]2CCC[C@H](O)C2)s1 CCCC[*:1] O=C(NC[C@H]1CCC[C@H](O)C1)C(=O)Nc1nnc(s1)[*:1]
C[C@H](OC(=O)c1ccc(N(C)C)cc1F)[C@H]1CCCO1 CN(C)[*:1] C[C@H](OC(=O)c1ccc(cc1F)[*:1])[C@H]1CCCO1
C[C@H](OC(=O)c1ccc(N(C)C)cc1F)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](OC(=O)c1ccc(cc1F)N(C)C)[*:1]
Cc1ccc(S(=O)(=O)NCCBr)cc1 BrCC[*:1] Cc1ccc(cc1)S(=O)(=O)N[*:1]
CC1=NC(=O)[C@@H](CCC(=O)Nc2cccc(C#Cc3ccccc3)c2)C(C)=N1 c1ccc(cc1)[*:1] CC1=NC(=O)[C@@H](CCC(=O)Nc2cccc(C#C[*:1])c2)C(C)=N1
CC1=NC(=O)[C@@H](CCC(=O)Nc2cccc(C#Cc3ccccc3)c2)C(C)=N1 C(#C[*:1])c1ccccc1 CC1=NC(=O)[C@@H](CCC(=O)Nc2cccc(c2)[*:1])C(C)=N1
COc1ccc(OC)c(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)N1CCC[C@H]1[*:1]
CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccs1)C2 c1csc(c1)[*:1] CCC(=O)N1CCCC[C@@H]1c1nc2CN(CCc2c(=O)[nH]1)C(=O)[*:1]
Nc1cc(Oc2cccc(F)c2)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Nc1cc(ccc1[*:1])Oc1cccc(F)c1
Cc1cccc(N2C(=O)N(c3cccc(Br)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 Cc1cccc(c1)[*:1] O=C1N(c2cccc(Br)c2)[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1cccc(N2C(=O)N(c3cccc(Br)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 Brc1cccc(c1)[*:1] Cc1cccc(c1)N1C(=O)N([C@H]2CS(=O)(=O)C[C@H]21)[*:1]
COc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 COc1ccccc1O[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
COc1ccccc1Oc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 COc1ccccc1[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Oc2cnccn2)c1 c1cnc(cn1)O[*:1] O=C(CCc1nc(no1)-c1ccc(Cl)cc1)Nc1cccc(c1)[*:1]
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Oc2cnccn2)c1 c1cnc(cn1)[*:1] O=C(CCc1nc(no1)-c1ccc(Cl)cc1)Nc1cccc(c1)O[*:1]
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Oc2cnccn2)c1 Clc1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])Nc1cccc(c1)Oc1cnccn1
Cc1c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cnn1C Cc1c(cnn1C)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)[*:1]
Cc1c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cnn1C C1CCN(C1)[*:1] Cc1c(cnn1C)C(=O)NCc1ccc([nH+]c1)[*:1]
C[C@@H](CC1CC1)Nc1nc2ccc(F)cn2n1 C1CC1[*:1] C[C@@H](C[*:1])Nc1nc2ccc(F)cn2n1
C[C@@H](CC1CC1)Nc1nc2ccc(F)cn2n1 C1CC1C[*:1] C[C@@H](Nc1nc2ccc(F)cn2n1)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cc3ccccc3n2C)CC1 O=C(N1CCCC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)c1cc2ccccc2n1C)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cc3ccccc3n2C)CC1 C[C@@H](C(=O)N1CCCC1)[*:1] Cn1c(cc2ccccc21)C(=O)N1CCN(CC1)[*:1]
Cc1cc(-c2nc(-c3ccnn3C(=O)Nc3cccc(Cl)c3)cs2)no1 Cc1cc(no1)[*:1] O=C(Nc1cccc(Cl)c1)n1nccc1-c1csc(n1)[*:1]
Cc1cc(-c2nc(-c3ccnn3C(=O)Nc3cccc(Cl)c3)cs2)no1 Clc1cccc(c1)[*:1] Cc1cc(no1)-c1nc(cs1)-c1ccnn1C(=O)N[*:1]
C[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(-n2cccn2)c1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)C1(CC1)[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)C1(CC1)c1ccc(F)cc1)c1cccc(c1)[*:1]
COc1ccc(-c2ccc(OCCNC(=O)c3cc4ccccc4oc3=O)nn2)cc1 COc1ccc(cc1)[*:1] O=C(NCCOc1ccc(nn1)[*:1])c1cc2ccccc2oc1=O
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)CNC(=O)O[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 CC(C)[*:1] CN(S(=O)(=O)c1ccc(cc1)CNC(=O)OC(C)(C)C)[*:1]
Cc1cc(C)c2c(CC(=O)Nc3ccc(F)cc3)coc2c1 Fc1ccc(cc1)[*:1] Cc1cc(C)c2c(coc2c1)CC(=O)N[*:1]
O=C(Nc1ccccc1NC(=O)c1cccnc1)c1ccccc1 c1cncc(c1)[*:1] O=C(Nc1ccccc1NC(=O)[*:1])c1ccccc1
O=C(Nc1ccccc1NC(=O)c1cccnc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1NC(=O)[*:1])c1cccnc1
CC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 CC(=O)[*:1] Fc1ccccc1-c1nnc(SC[*:1])n1Cc1ccccc1
CC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 CC(=O)C[*:1] Fc1ccccc1-c1nnc(S[*:1])n1Cc1ccccc1
CC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(=O)CSc1nnc(-c2ccccc2F)n1[*:1]
CC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 c1ccc(cc1)[*:1] CC(=O)CSc1nnc(-c2ccccc2F)n1C[*:1]
CC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 CC(=O)CS[*:1] Fc1ccccc1-c1nnc(n1Cc1ccccc1)[*:1]
CC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 Fc1ccccc1[*:1] CC(=O)CSc1nnc(n1Cc1ccccc1)[*:1]
CCOc1ccc2nc(N(C[C@H]3CCCO3)C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)sc2c1 C1CO[C@H](C1)C[*:1] CCOc1ccc2nc(sc2c1)N(C(=O)[C@@H]1Oc2ccccc2O[C@H]1C)[*:1]
CCOc1ccc2nc(N(C[C@H]3CCCO3)C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)sc2c1 CCO[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C[C@H]1CCCO1)c1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(N(C[C@H]3CCCO3)C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)sc2c1 C1CO[C@H](C1)[*:1] CCOc1ccc2nc(sc2c1)N(C[*:1])C(=O)[C@@H]1Oc2ccccc2O[C@H]1C
COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1C(=O)[O-] O=C([O-])[*:1] COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1[*:1]
COc1ccc(CCC(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCc2ccc(cc2C1)NC(=O)C[*:1]
COc1ccc(CCC(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCc2ccc(cc2C1)NC(=O)CC[*:1]
COc1ccc(CCC(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CCC(=O)Nc1ccc2CCN(Cc2c1)S(=O)(=O)[*:1]
COc1ccc(CCC(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1 COc1ccc(cc1)CC[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCc2ccc(cc2C1)NC(=O)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(Cl)c(Cl)c1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(Cl)c(Cl)c1
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 Clc1ccc(cc1Cl)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 COc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1cccnc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 COc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1cccnc1)[*:1]
Cc1ccc2c(c1)cc(CN(C(=O)c1cccs1)C1CCCC1)c1nnnn12 C1CCC(C1)[*:1] Cc1ccc2c(c1)cc(CN(C(=O)c1cccs1)[*:1])c1nnnn12
Cc1ccc2c(c1)cc(CN(C(=O)c1cccs1)C1CCCC1)c1nnnn12 c1csc(c1)[*:1] Cc1ccc2c(c1)cc(CN(C(=O)[*:1])C1CCCC1)c1nnnn12
CCOc1ccc(NC(=O)NC[C@H]2CCCO2)cc1Cl C1CO[C@H](C1)C[*:1] CCOc1ccc(cc1Cl)NC(=O)N[*:1]
CCOc1ccc(NC(=O)NC[C@H]2CCCO2)cc1Cl C1CO[C@H](C1)[*:1] CCOc1ccc(cc1Cl)NC(=O)NC[*:1]
CCOc1ccc(NC(=O)NC[C@H]2CCCO2)cc1Cl CCO[*:1] O=C(NC[C@H]1CCCO1)Nc1ccc(c(Cl)c1)[*:1]
CCN(C[C@H]1CCCO1)C(=O)c1ccc2ccc(Cl)cc2n1 C1CO[C@H](C1)[*:1] CCN(C[*:1])C(=O)c1ccc2ccc(Cl)cc2n1
CCN(C[C@H]1CCCO1)C(=O)c1ccc2ccc(Cl)cc2n1 C1CO[C@H](C1)C[*:1] CCN(C(=O)c1ccc2ccc(Cl)cc2n1)[*:1]
CC[C@H](C(=O)Nc1cccc(N2CCOC2=O)c1C)c1c(C)noc1C O=C1OCCN1[*:1] CC[C@H](C(=O)Nc1cccc(c1C)[*:1])c1c(C)noc1C
CC[C@H](C(=O)Nc1cccc(N2CCOC2=O)c1C)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@H](C(=O)Nc1cccc(c1C)N1CCOC1=O)[*:1]
COc1ccc(C(=O)N(C)Cc2cc(C)on2)cc1 Cc1cc(no1)[*:1] COc1ccc(cc1)C(=O)N(C)C[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCc3sccc32)C1 CCNS(=O)(=O)[*:1] O=C([C@@H]1CCCc2sccc21)N1CC[C@H](C1)[*:1]
CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Cl)cc1OCC CCO[*:1] CCOc1cc(/C=C/C(=O)Nc2ccc(C)cc2Cl)ccc1[*:1]
CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Cl)cc1OCC CCO[*:1] CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Cl)cc1[*:1]
CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Cl)cc1OCC Cc1ccc(c(Cl)c1)[*:1] CCOc1ccc(/C=C/C(=O)N[*:1])cc1OCC
COC(=O)CC[NH+](C1CCCCCC1)C1CCOCC1 COC(=O)CC[*:1] C1CCCC(CC1)[NH+](C1CCOCC1)[*:1]
COC(=O)CC[NH+](C1CCCCCC1)C1CCOCC1 C1CC(CCO1)[*:1] COC(=O)CC[NH+](C1CCCCCC1)[*:1]
COC(=O)CC[NH+](C1CCCCCC1)C1CCOCC1 COC(=O)[*:1] C1CCCC(CC1)[NH+](CC[*:1])C1CCOCC1
COC(=O)CC[NH+](C1CCCCCC1)C1CCOCC1 COC(=O)C[*:1] C1CCCC(CC1)[NH+](C[*:1])C1CCOCC1
Cc1cc(OCCn2c(CNC(=O)[C@H]3CCCO3)nc3ccccc32)cc(C)c1Cl Cc1cc(cc(C)c1Cl)O[*:1] O=C(NCc1nc2ccccc2n1CC[*:1])[C@H]1CCCO1
Cc1cc(OCCn2c(CNC(=O)[C@H]3CCCO3)nc3ccccc32)cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] O=C(NCc1nc2ccccc2n1CCO[*:1])[C@H]1CCCO1
O[C@@H](CCC(F)(F)F)Cc1ccc(Br)cc1F FC(F)(F)[*:1] O[C@@H](CC[*:1])Cc1ccc(Br)cc1F
O[C@@H](CCC(F)(F)F)Cc1ccc(Br)cc1F FC(F)(F)C[*:1] O[C@H](Cc1ccc(Br)cc1F)C[*:1]
COc1cc(Cl)ccc1C(=O)Nc1cnn(C(C)C)c1 CC(C)[*:1] COc1cc(Cl)ccc1C(=O)Nc1cnn(c1)[*:1]
COC(=O)CCNC(=O)c1ccccc1Nc1cccc(C)c1C COC(=O)CC[*:1] Cc1cccc(Nc2ccccc2C(=O)N[*:1])c1C
COC(=O)CCNC(=O)c1ccccc1Nc1cccc(C)c1C Cc1cccc(c1C)[*:1] COC(=O)CCNC(=O)c1ccccc1N[*:1]
COC(=O)CCNC(=O)c1ccccc1Nc1cccc(C)c1C COC(=O)C[*:1] Cc1cccc(Nc2ccccc2C(=O)NC[*:1])c1C
COC(=O)CCNC(=O)c1ccccc1Nc1cccc(C)c1C COC(=O)[*:1] Cc1cccc(Nc2ccccc2C(=O)NCC[*:1])c1C
COc1cc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C(=O)N1CCN(CC1)Cc1csc(n1)-c1ccccc1
COc1cc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)ccc1OC(C)C c1ccc(cc1)[*:1] COc1cc(ccc1OC(C)C)C(=O)N1CCN(CC1)Cc1csc(n1)[*:1]
COc1cc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C(=O)N1CCN(CC1)Cc1csc(n1)-c1ccccc1
O=C(CCn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CCn1nnc(n1)-c1ccc(Cl)cc1)N[*:1]
O=C(CCn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CCn1nnc(n1)-c1ccc(Cl)cc1)NC[*:1]
O=C(CCn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccccc1Cl Clc1ccc(cc1)[*:1] O=C(CCn1nnc(n1)[*:1])NCc1ccccc1Cl
CCN1C(=O)CCc2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc21 c1ccc(cc1)[*:1] CCN1C(=O)CCc2cc(ccc21)NC(=O)CC(c1ccccc1)[*:1]
CCCN[C@@]1(C#N)CC[C@H](Sc2cccc(OC)c2)C1 CCC[*:1] COc1cccc(c1)S[C@H]1CC[C@@](C#N)(C1)N[*:1]
CCCN[C@@]1(C#N)CC[C@H](Sc2cccc(OC)c2)C1 CCCN[*:1] COc1cccc(c1)S[C@H]1CC[C@](C#N)(C1)[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] CC(C)O[*:1] O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] CC(C)OC[*:1] O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)OCCS(=O)(=O)N[C@@H]1CCC[C@@H]1[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] CC(C)OCC[*:1] O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCO[*:1]
COc1cc(C(=O)Nc2c(C)cnn2-c2ccccc2)cc2c1OCCO2 c1ccc(cc1)[*:1] COc1cc(cc2OCCOc12)C(=O)Nc1c(C)cnn1[*:1]
O=C(Cc1ccccc1F)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 c1ccc(nc1)[*:1] O=C(Cc1ccccc1F)N1CCC(CC1)c1nc(O)cc(n1)[*:1]
O=C(Cc1ccccc1F)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 Fc1ccccc1[*:1] O=C(C[*:1])N1CCC(CC1)c1nc(O)cc(n1)-c1ccccn1
O=C(Cc1ccccc1F)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 Fc1ccccc1C[*:1] O=C(N1CCC(CC1)c1nc(O)cc(n1)-c1ccccn1)[*:1]
COc1ccc([C@@H](NC(=O)Cc2c[nH]c3ncccc23)C2CCOCC2)cc1 c1cnc2[nH]cc(c2c1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)C[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)Cc2c[nH]c3ncccc23)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)Cc1c[nH]c2ncccc12)[*:1]
COc1ccc([C@@H](NC(=O)Cc2c[nH]c3ncccc23)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1c[nH]c2ncccc12)N[C@@H](C1CCOCC1)[*:1]
CNC(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNC(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)cccc1[*:1]
CNC(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] CNC(=O)[*:1] Cc1cccc(c1S(=O)(=O)N1CCC[C@@H]1[*:1])[N+](=O)[O-]
CCC(CC)NC(=O)Nc1ccc(C(=O)N(C)C)cc1OC CCC(CC)[*:1] COc1cc(ccc1NC(=O)N[*:1])C(=O)N(C)C
CCC(CC)NC(=O)Nc1ccc(C(=O)N(C)C)cc1OC CN(C)C(=O)[*:1] CCC(CC)NC(=O)Nc1ccc(cc1OC)[*:1]
Cc1ccc(Cn2nccc2NC(=O)[C@@H]2C[C@H]2c2ccccc2F)o1 Fc1ccccc1[*:1] Cc1ccc(Cn2nccc2NC(=O)[C@@H]2C[C@@H]2[*:1])o1
Cc1ccc(Cn2nccc2NC(=O)[C@@H]2C[C@H]2c2ccccc2F)o1 Cc1ccc(C[*:1])o1 O=C(Nc1ccnn1[*:1])[C@@H]1C[C@H]1c1ccccc1F
Cc1ccc(Cn2nccc2NC(=O)[C@@H]2C[C@H]2c2ccccc2F)o1 Cc1ccc(o1)[*:1] O=C(Nc1ccnn1C[*:1])[C@@H]1C[C@H]1c1ccccc1F
COc1ccc(OC)c(COc2cc(F)ccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OC)c(c1)COc1cc(F)ccc1[*:1]
N#Cc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 N#Cc1ccccc1[*:1] O=C(COc1ccc(cc1)OCc1ccccc1)N[*:1]
N#Cc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] N#Cc1ccccc1NC(=O)COc1ccc(cc1)O[*:1]
N#Cc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] N#Cc1ccccc1NC(=O)COc1ccc(cc1)[*:1]
N#Cc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccccc1NC(=O)COc1ccc(cc1)OC[*:1]
Cc1cnc(C(=O)N2CCOC[C@H]2C(N)=O)cn1 NC(=O)[*:1] Cc1cnc(cn1)C(=O)N1CCOC[C@@H]1[*:1]
C[C@H]1CC[C@@H]2C(=O)N(Cc3ccco3)C(=O)[C@@H]2C1 c1coc(c1)[*:1] C[C@H]1CC[C@@H]2C(=O)N(C[*:1])C(=O)[C@@H]2C1
C[C@H]1CC[C@@H]2C(=O)N(Cc3ccco3)C(=O)[C@@H]2C1 c1coc(c1)C[*:1] C[C@H]1CC[C@@H]2C(=O)N(C(=O)[C@@H]2C1)[*:1]
CCN(C(=O)/C=C/c1ccc(OC)c(F)c1)[C@H](C)C(C)C CC(C)[*:1] CCN(C(=O)/C=C/c1ccc(OC)c(F)c1)[C@H](C)[*:1]
CCN(C(=O)/C=C/c1ccc(OC)c(F)c1)[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CCN(C(=O)/C=C/c1ccc(OC)c(F)c1)[*:1]
COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2C(C)C)c1 CC(C)c1ccccc1[*:1] COc1ccc(OC)c(c1)[C@@H](C)NC(=O)C(=O)N[*:1]
COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2C(C)C)c1 CC(C)[*:1] COc1ccc(OC)c(c1)[C@@H](C)NC(=O)C(=O)Nc1ccccc1[*:1]
CCCCCc1nnc(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 CCC[*:1] N#Cc1ccc(cc1Cl)NC(=O)C(=O)Nc1nnc(CC[*:1])s1
CCCCCc1nnc(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 CCCCC[*:1] N#Cc1ccc(cc1Cl)NC(=O)C(=O)Nc1nnc(s1)[*:1]
CCCCCc1nnc(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 CCCC[*:1] N#Cc1ccc(cc1Cl)NC(=O)C(=O)Nc1nnc(C[*:1])s1
O=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1c(F)cccc1Cl C1CN(CCO1)[*:1] O=C1S/C(=C\c2ccc(o2)[*:1])C(=O)N1Cc1c(F)cccc1Cl
O=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] O=C1S/C(=C\c2ccc(o2)N2CCOCC2)C(=O)N1C[*:1]
O=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1c(F)cccc1Cl Fc1cccc(Cl)c1C[*:1] O=C1S/C(=C\c2ccc(o2)N2CCOCC2)C(=O)N1[*:1]
CCC[C@H]1C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC CCC[*:1] COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2C[C@@H]2[*:1])c(c1)OC
Cc1cccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] Cc1cccc(c1)N(C)S(=O)(=O)c1c(csc1C(=O)NC[*:1])-c1ccccc1
Cc1cccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] Cc1cccc(c1)N(C)S(=O)(=O)c1c(csc1C(=O)N[*:1])-c1ccccc1
Cc1cccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2ccco2)c1 Cc1cccc(c1)[*:1] CN(S(=O)(=O)c1c(csc1C(=O)NCc1ccco1)-c1ccccc1)[*:1]
Cc1cccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2ccco2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N(C)S(=O)(=O)c1c(csc1C(=O)NCc1ccco1)[*:1]
Cc1cccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NCc2ccco2)c1 O=C(NCc1ccco1)[*:1] Cc1cccc(c1)N(C)S(=O)(=O)c1c(csc1[*:1])-c1ccccc1
Cc1csc([C@H](NC(=O)c2cnn(C(C)C)c2C)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](NC(=O)c1cnn(c1C)C(C)C)[*:1]
Cc1csc([C@H](NC(=O)c2cnn(C(C)C)c2C)C2CC2)n1 CC(C)[*:1] Cc1csc(n1)[C@H](NC(=O)c1cnn(c1C)[*:1])C1CC1
Cc1csc([C@H](NC(=O)c2cnn(C(C)C)c2C)C2CC2)n1 Cc1csc(n1)[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@H](C1CC1)[*:1]
CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2[nH]nc(C3CC3)c2Cl)C1 CCC[C@H](C)NC(=O)[*:1] O=C(c1[nH]nc(c1Cl)C1CC1)N1CCC[C@@H](C1)[*:1]
CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2[nH]nc(C3CC3)c2Cl)C1 CCC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1[nH]nc(c1Cl)C1CC1
CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2[nH]nc(C3CC3)c2Cl)C1 CCC[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)C(=O)c1[nH]nc(c1Cl)C1CC1)[*:1]
CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2[nH]nc(C3CC3)c2Cl)C1 C1CC1[*:1] CCC[C@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)c1[nH]nc(c1Cl)[*:1]
COc1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(/C=c2/sc3nc(C=C[*:1])nn3c2=O)cc1
COc1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 C(=C[*:1])c1ccccc1 COc1ccc(/C=c2/sc3nc(nn3c2=O)[*:1])cc1
COc1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c(=C[*:1])sc2nc(/C=C/c3ccccc3)nn12
O=C1CSCN1CC(=O)N(C1CCCC1)C1CC1 C1CC1[*:1] O=C1CSCN1CC(=O)N(C1CCCC1)[*:1]
O=C1CSCN1CC(=O)N(C1CCCC1)C1CC1 O=C1CSCN1[*:1] O=C(C[*:1])N(C1CCCC1)C1CC1
O=C1CSCN1CC(=O)N(C1CCCC1)C1CC1 C1CCC(C1)[*:1] O=C1CSCN1CC(=O)N(C1CC1)[*:1]
Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(N)=O)O2)nnn1-c1ccc(F)cc1 NC(=O)[*:1] Cc1c(nnn1-c1ccc(F)cc1)[C@H](C)[NH2+]C[C@@H]1CC[C@H](O1)[*:1]
Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(N)=O)O2)nnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])[C@H](C)[NH2+]C[C@@H]1CC[C@@H](O1)C(N)=O
Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 c1ccc(cc1)[*:1] Cc1oc(nc1CC(=O)N1CCC[C@H](C1)c1[nH+]ccn1C)[*:1]
N#Cc1ccc(CS(=O)(=O)/N=C(\[O-])c2ccc(Br)s2)cc1 Brc1ccc(s1)[*:1] N#Cc1ccc(cc1)CS(=O)(=O)/N=C(\[O-])[*:1]
CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccco2)c1 CC(=O)N[*:1] Cc1ccc(cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccco1)[*:1]
CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccco2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(C)c(c1)S(=O)(=O)N[C@@H](c1ccco1)[*:1]
CC(=O)Nc1ccc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccco2)c1 c1coc(c1)[*:1] CC(=O)Nc1ccc(C)c(c1)S(=O)(=O)N[C@@H](c1ccccc1)[*:1]
C[C@H]1CN(C(=O)CCc2nc(-c3ncccn3)no2)C[C@@H](C)O1 c1cnc(nc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CCc1nc(no1)[*:1]
CCc1oc2ccccc2c1/C=C/C(=O)NC1CC[NH+](C2CC2)CC1 C1CC1[*:1] CCc1oc2ccccc2c1/C=C/C(=O)NC1CC[NH+](CC1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(C(F)(F)F)cc1 C1CC1[*:1] C[C@@H](N(C)C(=O)Nc1ccc(cc1)C(F)(F)F)[*:1]
C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1cc(N)cc(C(F)(F)C(F)(F)F)c1 COC(=O)[*:1] Nc1cc(cc(c1)[*:1])C(F)(F)C(F)(F)F
COC(=O)c1cc(N)cc(C(F)(F)C(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)c1cc(N)cc(c1)C(F)(F)[*:1]
Cc1ccc([C@H](CNC(=O)NCCC(F)(F)F)[NH+]2CCCC2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)NCC[*:1])[NH+]1CCCC1
Cc1ccc([C@H](CNC(=O)NCCC(F)(F)F)[NH+]2CCCC2)cc1 FC(F)(F)CC[*:1] Cc1ccc(cc1)[C@H](CNC(=O)N[*:1])[NH+]1CCCC1
Cc1ccc([C@H](CNC(=O)NCCC(F)(F)F)[NH+]2CCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCC(F)(F)F)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1ccc([C@H](CNC(=O)NCCC(F)(F)F)[NH+]2CCCC2)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)[C@H](CNC(=O)NC[*:1])[NH+]1CCCC1
Cc1cc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)ccc1S(C)(=O)=O Fc1ccccc1[*:1] Cc1cc(ccc1S(C)(=O)=O)C[NH2+][C@@H](C1CCCC1)[*:1]
Cc1cc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)ccc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1cc(ccc1[*:1])C[NH2+][C@@H](c1ccccc1F)C1CCCC1
Cc1cc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)ccc1S(C)(=O)=O C1CCC(C1)[*:1] Cc1cc(ccc1S(C)(=O)=O)C[NH2+][C@@H](c1ccccc1F)[*:1]
Fc1ccccc1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 Fc1ccccc1[*:1] C(=NNc1nnc2c(n1)[nH]c1ccccc12)[*:1]
CC(C)c1ocnc1CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 CC(C)[*:1] Fc1ccc(cc1Cl)[C@@H]1CN(CCO1)Cc1ncoc1[*:1]
Cc1cc(N)c(C)c(S(=O)(=O)N(C)c2ccccc2C)c1 Cc1ccccc1[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)N(C)[*:1]
CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1[*:1]
CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 CCNC(=O)NC(=O)[*:1] C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)[*:1]
CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 Fc1ccc(cc1)[*:1] CCNC(=O)NC(=O)[C@H](C)Sc1nnc(n1Cc1ccccc1)[*:1]
CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1C[*:1]
O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 c1cc(ccn1)[*:1] O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(c(F)c1)[*:1])[C@@H]1CCCN(C1)C(=O)c1ccncc1
COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)C[*:1] COC(=O)[C@@H](NC(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(c1)[*:1]
COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)Nc1cccc(c1)C(F)(F)F
COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C(F)(F)F)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N[C@H](Cc1ccccc1)[*:1]
O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] O=C(Nc1nc(cs1)-c1cccnc1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 c1cncc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
CNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)c(Cl)cc1OC CNC(=O)[*:1] COc1cc(Cl)c(C)cc1-n1c(nc2ccccc2c1=O)S[C@@H](C)[*:1]
CC(C)=C[C@@H](O)c1ccc(F)c(C)c1 CC(C)=C[*:1] Cc1cc(ccc1F)[C@H](O)[*:1]
CC[C@@](C)([NH3+])C(=O)N[C@H](C)CC(C)C CC(C)C[*:1] CC[C@@](C)([NH3+])C(=O)N[C@H](C)[*:1]
CC[C@@](C)([NH3+])C(=O)N[C@H](C)CC(C)C CC(C)[*:1] CC[C@@](C)([NH3+])C(=O)N[C@H](C)C[*:1]
Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 Clc1ccc(cc1)[*:1] Cc1cc(C)c2NC(=O)[C@@]3(c2c1)[C@H]1C(=O)N(C(=O)[C@@H]1[C@H]1CCCN13)[*:1]
COCCNC(=O)C(=O)Nc1cc(F)ccc1OC(C)C CC(C)[*:1] COCCNC(=O)C(=O)Nc1cc(F)ccc1O[*:1]
COCCNC(=O)C(=O)Nc1cc(F)ccc1OC(C)C CC(C)O[*:1] COCCNC(=O)C(=O)Nc1cc(F)ccc1[*:1]
COCCNC(=O)C(=O)Nc1cc(F)ccc1OC(C)C COCC[*:1] CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N[*:1]
COCCNC(=O)C(=O)Nc1cc(F)ccc1OC(C)C COC[*:1] CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NC[*:1]
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 CC(C)CC[*:1] C[NH+](C)CCN1C(=O)N(C2(CC[NH+](CC2)C2Cc3ccccc3C2)C1=O)[*:1]
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 c1ccc2CC(Cc2c1)[*:1] CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](CC2)[*:1]
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 CC(C)[*:1] C[NH+](C)CCN1C(=O)N(CC[*:1])C2(CC[NH+](CC2)C2Cc3ccccc3C2)C1=O
CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 CC(C)C[*:1] C[NH+](C)CCN1C(=O)N(C[*:1])C2(CC[NH+](CC2)C2Cc3ccccc3C2)C1=O
Cc1cccc(C(=O)N[C@@H](C(=O)NCC2(O)CCOCC2)C(C)C)c1 OC1(CCOCC1)C[*:1] Cc1cccc(c1)C(=O)N[C@@H](C(=O)N[*:1])C(C)C
Cc1cccc(C(=O)N[C@@H](C(=O)NCC2(O)CCOCC2)C(C)C)c1 OC1(CCOCC1)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C(=O)NC[*:1])C(C)C
Cc1cccc(C(=O)N[C@@H](C(=O)NCC2(O)CCOCC2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NCC1(O)CCOCC1
Cc1cccc(C(=O)N[C@@H](C(=O)NCC2(O)CCOCC2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C(=O)NCC1(O)CCOCC1)[*:1]
CCc1ccccc1N1C(=O)C2=CN=NC2=N[C@H]1SCc1cc(=O)n2c(C)cccc2n1 CCc1ccccc1[*:1] Cc1cccc2nc(cc(=O)n12)CS[C@@H]1N=C2N=NC=C2C(=O)N1[*:1]
O=C(Nc1nccn(-c2ccc(F)c(F)c2)c1=O)c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1nccn(-c2ccc(F)c(F)c2)c1=O)[*:1]
O=C(Nc1nccn(-c2ccc(F)c(F)c2)c1=O)c1ccncc1 Fc1ccc(cc1F)[*:1] O=C(Nc1nccn(c1=O)[*:1])c1ccncc1
CC[C@H](SCc1nnc(C)n1C1CC1)c1ccc(Br)cc1 C1CC1[*:1] CC[C@H](SCc1nnc(C)n1[*:1])c1ccc(Br)cc1
CC[C@H](SCc1nnc(C)n1C1CC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@H](SCc1nnc(C)n1C1CC1)[*:1]
CCN(C[C@H]1CCCO1)C(=O)c1cnc2ccc(C)cn12 C1CO[C@H](C1)C[*:1] CCN(C(=O)c1cnc2ccc(C)cn12)[*:1]
CCN(C[C@H]1CCCO1)C(=O)c1cnc2ccc(C)cn12 C1CO[C@H](C1)[*:1] CCN(C[*:1])C(=O)c1cnc2ccc(C)cn12
C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)C[C@@H](O)[*:1]
C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] C[C@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)C[*:1]
C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C[C@@H](O)c1ccccc1 FC(F)(F)[*:1] C[C@H](Cc1ccc(cc1)[*:1])NC(=O)C[C@@H](O)c1ccccc1
CC[C@](C)([C@@H](N)c1ccsc1)[NH+]1CCCCC1 c1cc(cs1)[*:1] CC[C@](C)([C@@H](N)[*:1])[NH+]1CCCCC1
Cc1ccc(OCC(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1 Cc1ccc(cc1)OC[*:1] O=C(NCC1CCN(CC1)c1nc2ccccc2o1)[*:1]
Cc1ccc(OCC(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1 c1ccc2oc(nc2c1)[*:1] Cc1ccc(cc1)OCC(=O)NCC1CCN(CC1)[*:1]
Cc1ccc(OCC(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])NCC1CCN(CC1)c1nc2ccccc2o1
Cc1ccc(OCC(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])NCC1CCN(CC1)c1nc2ccccc2o1
Cc1cccc(N[C@@H](c2ccccc2F)c2cc(C)sc2NC(=O)c2ccco2)[nH+]1 c1coc(c1)[*:1] Cc1cccc(N[C@@H](c2ccccc2F)c2cc(C)sc2NC(=O)[*:1])[nH+]1
Cc1cccc(N[C@@H](c2ccccc2F)c2cc(C)sc2NC(=O)c2ccco2)[nH+]1 Fc1ccccc1[*:1] Cc1cccc(N[C@@H](c2cc(C)sc2NC(=O)c2ccco2)[*:1])[nH+]1
Cc1cccc(N[C@@H](c2ccccc2F)c2cc(C)sc2NC(=O)c2ccco2)[nH+]1 O=C(N[*:1])c1ccco1 Cc1cccc(N[C@@H](c2ccccc2F)c2cc(C)sc2[*:1])[nH+]1
CCCn1cc(NCc2c(C)nc3sc(C)cn23)cn1 CCC[*:1] Cc1cn2c(CNc3cnn(c3)[*:1])c(C)nc2s1
CCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 CCC(=O)N[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] CCC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
CCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)[*:1] CCC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
C[C@H](O)CNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 C[C@H](O)CNC(=O)N[*:1] c1ccc2CN(CCc2c1)c1ccc(c[nH+]1)C[*:1]
C[C@H](O)CNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 C[C@H](O)C[*:1] O=C(NCc1ccc([nH+]c1)N1CCc2ccccc2C1)N[*:1]
C[C@H](O)CNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 C[C@H](O)[*:1] O=C(NCc1ccc([nH+]c1)N1CCc2ccccc2C1)NC[*:1]
COC[C@@H](C)NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 COC[*:1] C[C@@H](NC(=O)N1CCCC[C@H](C1)N1CC[NH+](C)CC1)[*:1]
COC[C@@H](C)NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 COC[C@@H](C)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)N[*:1]
C[C@H](CNC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl)C[*:1]
C[C@H](CNC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl)[*:1]
CCC[NH2+][C@@]1(CO)CC[C@H](Oc2ccc(CO)cc2)C1 CCC[*:1] OCc1ccc(cc1)O[C@H]1CC[C@@](CO)(C1)[NH2+][*:1]
CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccncc2)n2nc(-c3ccccc3)nc2N1 c1cc(ccn1)[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccnc1)[*:1])-c1ccccc1
CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccncc2)n2nc(-c3ccccc3)nc2N1 c1cncc(c1)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)N[*:1])c1ccncc1)-c1ccccc1
CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccncc2)n2nc(-c3ccccc3)nc2N1 c1ccc(cc1)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)Nc1cccnc1)c1ccncc1)[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccncc2)n2nc(-c3ccccc3)nc2N1 O=C(Nc1cccnc1)[*:1] CC1Nc2nc(nn2[C@@H](C=1[*:1])c1ccncc1)-c1ccccc1
C[NH+](C)[C@@H](CNC(=O)C[C@H]1C=CCC1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H](CNC(=O)C[C@H]1C=CCC1)[*:1]
C[NH+](C)[C@@H](CNC(=O)C[C@H]1C=CCC1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)C[C@H]1C=CCC1)C[*:1]
Cc1noc(C2CN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C2)n1 Cc1noc(n1)[*:1] O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC(C1)[*:1]
CCCn1ncc(C)c1NC(=O)CN1CC2(CCOCC2)Oc2ccc(C)cc2C1=O CCC[*:1] Cc1ccc2OC3(CCOCC3)CN(CC(=O)Nc3c(C)cnn3[*:1])C(=O)c2c1
CCCn1ncc(C)c1NC(=O)CN1CC2(CCOCC2)Oc2ccc(C)cc2C1=O CCCn1ncc(C)c1[*:1] Cc1ccc2OC3(CCOCC3)CN(CC(=O)N[*:1])C(=O)c2c1
CCc1cnc(CN(C)C(=O)/C=C/c2ccc(C)cc2C)s1 CCc1cnc(s1)[*:1] Cc1ccc(/C=C/C(=O)N(C)C[*:1])c(C)c1
Cn1nnnc1SCC(=O)N1CCN(CCNC(=O)c2cccs2)CC1 Cn1nnnc1SC[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])c1cccs1
Cn1nnnc1SCC(=O)N1CCN(CCNC(=O)c2cccs2)CC1 Cn1nnnc1[*:1] O=C(NCCN1CCN(CC1)C(=O)CS[*:1])c1cccs1
Cn1nnnc1SCC(=O)N1CCN(CCNC(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cn1nnnc1SCC(=O)N1CCN(CCNC(=O)[*:1])CC1
Cn1nnnc1SCC(=O)N1CCN(CCNC(=O)c2cccs2)CC1 O=C(N[*:1])c1cccs1 Cn1nnnc1SCC(=O)N1CCN(CC1)CC[*:1]
Cn1nnnc1SCC(=O)N1CCN(CCNC(=O)c2cccs2)CC1 Cn1nnnc1S[*:1] O=C(NCCN1CCN(CC1)C(=O)C[*:1])c1cccs1
Nc1c(Nc2ccc(Cl)cn2)ncnc1Nc1ccccc1C(F)(F)F Clc1ccc(nc1)N[*:1] Nc1c(ncnc1[*:1])Nc1ccccc1C(F)(F)F
Nc1c(Nc2ccc(Cl)cn2)ncnc1Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] Nc1c(ncnc1Nc1ccccc1[*:1])Nc1ccc(Cl)cn1
Nc1c(Nc2ccc(Cl)cn2)ncnc1Nc1ccccc1C(F)(F)F Clc1ccc(nc1)[*:1] Nc1c(ncnc1N[*:1])Nc1ccccc1C(F)(F)F
CCC[C@@](C)([NH3+])CN(C)Cc1cccc(C)n1 CCC[*:1] Cc1cccc(CN(C)C[C@@](C)([NH3+])[*:1])n1
COc1ccccc1/C=C1/Oc2c(ccc3c2CN(Cc2cccnc2)CO3)C1=O c1cncc(c1)[*:1] COc1ccccc1/C=C1/Oc2c(ccc3OCN(Cc32)C[*:1])C1=O
COc1ccccc1/C=C1/Oc2c(ccc3c2CN(Cc2cccnc2)CO3)C1=O c1cncc(c1)C[*:1] COc1ccccc1/C=C1/Oc2c(ccc3OCN(Cc32)[*:1])C1=O
COc1ccccc1/C=C1/Oc2c(ccc3c2CN(Cc2cccnc2)CO3)C1=O COc1ccccc1[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(Cc3cccnc3)Cc12
C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H]1[C@H](CCN1Cc1ncn(n1)[*:1])c1ccccc1
C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H]1[C@@H](CCN1Cc1ncn(n1)-c1ccccc1)[*:1]
COc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1cc(nc(n1)-c1ccc(F)cc1)SCC(=O)N[*:1]
COc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)cc1Cl Fc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)CSc1cc(C)nc(n1)[*:1]
CCOCCCNC(=O)Nc1c(O)oc2ccccc2c1=[NH+]C CCOCC[*:1] C[NH+]=c1c(NC(=O)NC[*:1])c(O)oc2ccccc12
CCOCCCNC(=O)Nc1c(O)oc2ccccc2c1=[NH+]C CCOC[*:1] C[NH+]=c1c(NC(=O)NCC[*:1])c(O)oc2ccccc12
CCOCCCNC(=O)Nc1c(O)oc2ccccc2c1=[NH+]C CCOCCC[*:1] C[NH+]=c1c(NC(=O)N[*:1])c(O)oc2ccccc12
CCOCCCNC(=O)Nc1c(O)oc2ccccc2c1=[NH+]C CCO[*:1] C[NH+]=c1c(NC(=O)NCCC[*:1])c(O)oc2ccccc12
CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCSc1ccccc1F Fc1ccccc1[*:1] CC[NH2+][C@@]1(CCC[C@@H]1CCS[*:1])C(=O)[O-]
CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCSc1ccccc1F O=C([O-])[*:1] CC[NH2+][C@@]1(CCC[C@@H]1CCSc1ccccc1F)[*:1]
CCOc1ccccc1-n1c([O-])c(C(=O)c2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CCOc1ccccc1-n1c([O-])c(C(=O)[*:1])c(=O)[nH]c1=O
CCOc1ccccc1-n1c([O-])c(C(=O)c2ccccc2)c(=O)[nH]c1=O O=C(c1ccccc1)[*:1] CCOc1ccccc1-n1c([O-])c(c(=O)[nH]c1=O)[*:1]
CCOc1ccccc1-n1c([O-])c(C(=O)c2ccccc2)c(=O)[nH]c1=O CCO[*:1] O=C(c1ccccc1)c1c([O-])n(-c2ccccc2[*:1])c(=O)[nH]c1=O
C=CCOc1ccccc1CN1CCNC(=O)[C@@H]1c1ccccc1 C=CC[*:1] O=C1NCCN(Cc2ccccc2O[*:1])[C@H]1c1ccccc1
C=CCOc1ccccc1CN1CCNC(=O)[C@@H]1c1ccccc1 C=CCO[*:1] O=C1NCCN(Cc2ccccc2[*:1])[C@H]1c1ccccc1
C=CCOc1ccccc1CN1CCNC(=O)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C=CCOc1ccccc1CN1CCNC(=O)[C@H]1[*:1]
CCc1nc(C)c([C@H](C)[NH2+][C@H](CC)c2c(C)noc2C)s1 Cc1noc(C)c1[*:1] CCc1nc(C)c(s1)[C@H](C)[NH2+][C@H](CC)[*:1]
CCN(C(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)COc1ccc(C)cc1[N+](=O)[O-])[*:1]
CCN(C(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] CCN(C(=O)COc1ccc(C)cc1[*:1])c1ccccc1
C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)C(C)(C)C[NH+](C)C C[C@@]1(CC1(Cl)Cl)[*:1] C[C@@H](NC(=O)[*:1])C(C)(C)C[NH+](C)C
COc1cccc(C(=O)N2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)c1c(c(C)nn1C)[*:1]
COc1cccc(C(=O)N2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)c1 COc1cccc(c1)[*:1] Cc1nn(C)c(c1[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
O=C1CSc2ccc(C(=O)NOCc3ccccc3)cc2N1 c1ccc(cc1)C[*:1] O=C1CSc2ccc(cc2N1)C(=O)NO[*:1]
O=C1CSc2ccc(C(=O)NOCc3ccccc3)cc2N1 c1ccc(cc1)[*:1] O=C1CSc2ccc(cc2N1)C(=O)NOC[*:1]
NC(=O)c1c(NC(=O)CSCC(F)(F)F)sc2c1CCCCC2 NC(=O)[*:1] O=C(CSCC(F)(F)F)Nc1sc2CCCCCc2c1[*:1]
NC(=O)c1c(NC(=O)CSCC(F)(F)F)sc2c1CCCCC2 FC(F)(F)CSC[*:1] NC(=O)c1c(NC(=O)[*:1])sc2CCCCCc21
NC(=O)c1c(NC(=O)CSCC(F)(F)F)sc2c1CCCCC2 FC(F)(F)[*:1] NC(=O)c1c(NC(=O)CSC[*:1])sc2CCCCCc21
NC(=O)c1c(NC(=O)CSCC(F)(F)F)sc2c1CCCCC2 FC(F)(F)C[*:1] NC(=O)c1c(NC(=O)CS[*:1])sc2CCCCCc21
NC(=O)c1c(NC(=O)CSCC(F)(F)F)sc2c1CCCCC2 FC(F)(F)CS[*:1] NC(=O)c1c(NC(=O)C[*:1])sc2CCCCCc21
O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCN(Cc2c(F)cccc2Cl)CC1 c1ccc(cc1)[*:1] O=C(CSc1nn(c(=S)s1)[*:1])N1CCN(CC1)Cc1c(F)cccc1Cl
O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCN(Cc2c(F)cccc2Cl)CC1 Fc1cccc(Cl)c1C[*:1] O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCN(CC1)[*:1]
O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCN(Cc2c(F)cccc2Cl)CC1 Fc1cccc(Cl)c1[*:1] O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCN(CC1)C[*:1]
O=C1c2cnc3nc(SCc4ccccc4Cl)nn3c2C[C@@H]2c3ccccc3CCN12 Clc1ccccc1[*:1] O=C1c2cnc3nc(nn3c2C[C@@H]2c3ccccc3CCN12)SC[*:1]
O=C1c2cnc3nc(SCc4ccccc4Cl)nn3c2C[C@@H]2c3ccccc3CCN12 Clc1ccccc1CS[*:1] O=C1c2cnc3nc(nn3c2C[C@@H]2c3ccccc3CCN12)[*:1]
O=C1c2cnc3nc(SCc4ccccc4Cl)nn3c2C[C@@H]2c3ccccc3CCN12 Clc1ccccc1C[*:1] O=C1c2cnc3nc(nn3c2C[C@@H]2c3ccccc3CCN12)S[*:1]
Cc1cc(F)ccc1C[NH+]1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] Cc1cc(F)ccc1C[NH+]1CCN(CC1)[C@@H](C)[*:1]
Cc1cc(F)ccc1C[NH+]1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 Cc1cc(F)ccc1[*:1] C[C@@H](C(=O)N1CCCCC1)N1CC[NH+](CC1)C[*:1]
CCc1cc(NC(=O)C(=O)NC[C@@](C)(O)[C@H](C)CC)n(C)n1 CC[C@@H](C)[*:1] CCc1cc(NC(=O)C(=O)NC[C@@](C)(O)[*:1])n(C)n1
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCCOC1CCCCC1 C1CCC(CC1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCCO[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCCOC1CCCCC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)NCCCOC1CCCCC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCCOC1CCCCC1 C1CCC(CC1)OC[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCCOC1CCCCC1 C1CCC(CC1)O[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCC[*:1]
Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@H]([NH+]6CCCCC6)C5)c34)cnn2C)cc1 Cc1ccc(cc1)[*:1] Cn1ncc(-c2nn(C)c3ncnc(c23)N2CC[C@@H](C2)[NH+]2CCCCC2)c1[*:1]
COc1cc(N2C[C@@H](C(=O)Nc3ccccc3N3CCCCC3)CC2=O)cc(OC)c1OC C1CCN(CC1)[*:1] COc1cc(cc(OC)c1OC)N1C[C@H](CC1=O)C(=O)Nc1ccccc1[*:1]
COC(=O)c1c(C)[nH]c(C)c1/C=N\O ON=C[*:1] COC(=O)c1c(C)[nH]c(C)c1[*:1]
COC(=O)c1c(C)[nH]c(C)c1/C=N\O COC(=O)[*:1] Cc1[nH]c(C)c(c1/C=N\O)[*:1]
COc1cc(C#N)c(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1OC Fc1ccc(cc1)[*:1] COc1cc(C#N)c(cc1OC)NC(=O)CN1CCN(CC1)[*:1]
COC[C@H]1CCCN1[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1C[NH3+] COC[*:1] [NH3+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCC[C@@H]1[*:1]
CC(=O)N1CCN(C(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)CC1 O=C1CCS(=O)(=O)N1[*:1] CC(=O)N1CCN(CC1)C(=O)c1cc(ccc1Cl)[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)C(=O)N1CCC[NH+](CC1)C[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccc(F)cc1NC(=O)C(=O)N1CCC[NH+](CC1)[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N1CCC[NH+](Cc2ccccc2)CC1 COc1ccc(F)cc1[*:1] O=C(N[*:1])C(=O)N1CCC[NH+](CC1)Cc1ccccc1
O=C(NCC1CC1)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1 O=C(NCC1CC1)[*:1] O=C(c1cccnc1)N1CCC(CC1)Oc1ccc(cc1)[*:1]
O=C(NCC1CC1)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1 C1CC1[*:1] O=C(NC[*:1])c1ccc(cc1)OC1CCN(CC1)C(=O)c1cccnc1
O=C(NCC1CC1)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1 c1cncc(c1)[*:1] O=C(NCC1CC1)c1ccc(cc1)OC1CCN(CC1)C(=O)[*:1]
O=C(NCC1CC1)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1 C1CC1C[*:1] O=C(N[*:1])c1ccc(cc1)OC1CCN(CC1)C(=O)c1cccnc1
CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(CC)cc2)[C@H](C#N)C(=O)N3)CC1 CCc1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)c1nc2NC(=O)[C@@H](C#N)[C@@H](c2c(=O)[nH]1)[*:1]
CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(CC)cc2)[C@H](C#N)C(=O)N3)CC1 CCOC(=O)C1CCN(CC1)[*:1] CCc1ccc(cc1)[C@H]1c2c(nc([nH]c2=O)[*:1])NC(=O)[C@H]1C#N
CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(CC)cc2)[C@H](C#N)C(=O)N3)CC1 CCOC(=O)[*:1] CCc1ccc(cc1)[C@H]1c2c(nc([nH]c2=O)N2CCC(CC2)[*:1])NC(=O)[C@H]1C#N
COc1ccc(C[NH+](CCO)C2CC2)cc1Br OCC[*:1] COc1ccc(cc1Br)C[NH+](C1CC1)[*:1]
COc1ccc(C[NH+](CCO)C2CC2)cc1Br C1CC1[*:1] COc1ccc(cc1Br)C[NH+](CCO)[*:1]
O=C(CCOC1CCOCC1)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 C1CC(CCO1)O[*:1] O=C(CC[*:1])N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
O=C(CCOC1CCOCC1)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 C1CC(CCO1)[*:1] O=C(CCO[*:1])N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
O=C(CCOC1CCOCC1)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] O=C(CCOC1CCOCC1)N[C@H]1CCO[C@@H]1[*:1]
O=C(CCOC1CCOCC1)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 C1CC(CCO1)OC[*:1] O=C(C[*:1])N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
CC[C@@H](NC(=O)CCn1cncn1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)CCn1cncn1)[*:1]
CC[C@@H](NC(=O)CCn1cncn1)c1cccs1 c1ncn(n1)[*:1] CC[C@@H](NC(=O)CC[*:1])c1cccs1
CC[C@@H](NC(=O)CCn1cncn1)c1cccs1 c1ncn(C[*:1])n1 CC[C@@H](NC(=O)C[*:1])c1cccs1
CCCc1nc(C)c(C(=O)OCc2nnc(-c3ccccc3)n2C)s1 CCC[*:1] Cc1nc(sc1C(=O)OCc1nnc(-c2ccccc2)n1C)[*:1]
CCCc1nc(C)c(C(=O)OCc2nnc(-c3ccccc3)n2C)s1 c1ccc(cc1)[*:1] CCCc1nc(C)c(s1)C(=O)OCc1nnc(n1C)[*:1]
c1ccc(C2CC2)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 C1CC1[*:1] c1ccc(c(c1)CN1CCC[C@H](C1)[C@@H]1CCC[NH2+]1)[*:1]
CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1)[*:1]
CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1nc(C2CC2)no1 c1cc2CCCCc2cc1[*:1] CC(C)[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1nc(no1)C1CC1
CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1nc(C2CC2)no1 CC(C)[*:1] O=C(N[C@H](c1nc(no1)C1CC1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1
CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1)c1nc(no1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)NCCc2cccs2)CC1 Cc1noc(C)c1[*:1] C[C@@H](C(=O)NCCc1cccs1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)NCCc2cccs2)CC1 c1csc(c1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[C@@H](C)C(=O)NCC[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)NCCc2cccs2)CC1 c1csc(c1)CC[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)NCCc2cccs2)CC1 c1csc(c1)C[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[C@@H](C)C(=O)NC[*:1]
CC1(CNC(=O)CN2CCC([NH3+])CC2)COC1 CC1(COC1)[*:1] [NH3+]C1CCN(CC1)CC(=O)NC[*:1]
O=C(Cn1cnnn1)NC[C@H]1C[C@@]12CCc1ccccc12 c1nnnn1C[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
O=C(Cn1cnnn1)NC[C@H]1C[C@@]12CCc1ccccc12 c1nnnn1[*:1] O=C(C[*:1])NC[C@H]1C[C@@]12CCc1ccccc12
Cc1cccc(C(=O)NCCC[NH+](C)C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C(=O)NCCC[NH+](C)C)c1[*:1]
O=C(OCc1nc2ccccc2o1)[C@@H]1CCCN1C(=O)NC1CCCCC1 c1ccc2oc(nc2c1)[*:1] O=C(OC[*:1])[C@@H]1CCCN1C(=O)NC1CCCCC1
O=C(OCc1nc2ccccc2o1)[C@@H]1CCCN1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(OCc1nc2ccccc2o1)[C@@H]1CCCN1C(=O)N[*:1]
CC1(NC(=O)c2csc(/C=C/C(=O)[O-])c2)CCCCC1 O=C([O-])C=C[*:1] CC1(CCCCC1)NC(=O)c1csc(c1)[*:1]
CC1(NC(=O)c2csc(/C=C/C(=O)[O-])c2)CCCCC1 O=C([O-])[*:1] CC1(CCCCC1)NC(=O)c1csc(C=C[*:1])c1
CCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2Cl)cc1OC Clc1ccccc1[*:1] CCOc1ccc(cc1OC)[C@H]1C(=O)N(CC(=O)N1C[*:1])C1CCCCC1
CCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2Cl)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H]1C(=O)N(CC(=O)N1Cc1ccccc1Cl)C1CCCCC1
CCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2Cl)cc1OC CCOc1ccc(cc1OC)[*:1] O=C1[C@@H](N(Cc2ccccc2Cl)C(=O)CN1C1CCCCC1)[*:1]
CCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2Cl)cc1OC C1CCC(CC1)[*:1] CCOc1ccc(cc1OC)[C@H]1C(=O)N(CC(=O)N1Cc1ccccc1Cl)[*:1]
CCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2Cl)cc1OC Clc1ccccc1C[*:1] CCOc1ccc(cc1OC)[C@H]1C(=O)N(CC(=O)N1[*:1])C1CCCCC1
CCC[C@@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CC)c1ccccc1 CCC[*:1] CCC(=O)N1CCc2cc(ccc21)C(=O)N[C@@H](c1ccccc1)[*:1]
CCC[C@@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CC)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CC)[*:1]
CC(C)NC(=O)CNS(=O)(=O)c1cccs1 c1csc(c1)[*:1] CC(C)NC(=O)CNS(=O)(=O)[*:1]
CC(C)NC(=O)CNS(=O)(=O)c1cccs1 CC(C)[*:1] O=C(CNS(=O)(=O)c1cccs1)N[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)ccc1C O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1cc(C)ccc1C)[*:1]
Cc1cccc(C(=O)N[C@H](C)C(=O)NCc2cccc(NC(C)C)c2)c1 CC(C)N[*:1] Cc1cccc(c1)C(=O)N[C@H](C)C(=O)NCc1cccc(c1)[*:1]
Cc1cccc(C(=O)N[C@H](C)C(=O)NCc2cccc(NC(C)C)c2)c1 Cc1cccc(c1)[*:1] CC(C)Nc1cccc(c1)CNC(=O)[C@@H](C)NC(=O)[*:1]
Cc1cccc(C(=O)N[C@H](C)C(=O)NCc2cccc(NC(C)C)c2)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N[C@H](C)C(=O)NCc1cccc(c1)N[*:1]
Cc1cccc(NC(=O)C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)C(=O)NCCc1sc(nc1C)[*:1]
Cc1cccc(NC(=O)C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)c1 Cc1cccc(c1)[*:1] Cc1nc(sc1CCNC(=O)C(=O)N[*:1])-c1cccc(F)c1
Cc1c(N)cccc1NC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1c(N)cccc1NC(=O)[*:1]
COc1ccc(Cc2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)Cc1nnc(NC(=O)C=C[*:1])s1
COc1ccc(Cc2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1OC C(=C[*:1])c1ccccc1 COc1ccc(cc1OC)Cc1nnc(NC(=O)[*:1])s1
CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)CC1 c1ccc(cc1)CCC[*:1] CN1CCN(CC1)C(=O)CC[C@@H]1CCCN(C1)C(=O)[*:1]
CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CN1CCN(CC1)C(=O)CC[C@@H]1CCCN(C1)C(=O)CCC[*:1]
CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)CC1 c1ccc(cc1)C[*:1] CN1CCN(CC1)C(=O)CC[C@@H]1CCCN(C1)C(=O)CC[*:1]
CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)CC1 CN1CCN(CC1)C(=O)[*:1] O=C(CCCc1ccccc1)N1CCC[C@@H](CC[*:1])C1
CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)CC1 c1ccc(cc1)CC[*:1] CN1CCN(CC1)C(=O)CC[C@@H]1CCCN(C1)C(=O)C[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(CCNS(C)(=O)=O)CC1 CS(=O)(=O)NC[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(CCNS(C)(=O)=O)CC1 CS(=O)(=O)N[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)CC[*:1]
COc1cc(F)cc(CNC(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)c1 c1ncc(cn1)[*:1] COc1cc(F)cc(c1)CNC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
COc1cc(F)cc(CNC(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)c1 COc1cc(F)cc(c1)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(cc1)-c1cncnc1
O=S1(=O)N=C(Nc2nnc(SCc3ccccc3Cl)s2)c2ccccc21 Clc1ccccc1C[*:1] O=S1(=O)N=C(Nc2nnc(S[*:1])s2)c2ccccc21
O=S1(=O)N=C(Nc2nnc(SCc3ccccc3Cl)s2)c2ccccc21 Clc1ccccc1[*:1] O=S1(=O)N=C(Nc2nnc(SC[*:1])s2)c2ccccc21
CCOC(=O)[C@@H]1N=C(C)C(CCC(=O)NC2CCCCC2)=C1C CCOC(=O)[*:1] CC1=N[C@H](C(C)=C1CCC(=O)NC1CCCCC1)[*:1]
CCOC(=O)[C@@H]1N=C(C)C(CCC(=O)NC2CCCCC2)=C1C C1CCC(CC1)[*:1] CCOC(=O)[C@@H]1N=C(C)C(CCC(=O)N[*:1])=C1C
COc1ccccc1N1C[C@H](C(=O)Nc2ccc(O)cc2)CC1=O Oc1ccc(cc1)[*:1] COc1ccccc1N1C[C@@H](CC1=O)C(=O)N[*:1]
COc1ccccc1N1C[C@H](C(=O)Nc2ccc(O)cc2)CC1=O COc1ccccc1[*:1] O=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(C1)[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2C)C1 Cc1ccc(c(C)c1)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@H](C)CC(=O)N[*:1]
CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H]1CN(CC[C@@H]1[NH2+][C@@H](C)[*:1])C(=O)C1CC1
CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H](C)c1ccncc1 C1CC1[*:1] CC[C@@H]1CN(CC[C@@H]1[NH2+][C@@H](C)c1ccncc1)C(=O)[*:1]
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(Cl)cc1Cl Clc1ccc(O[*:1])c(Cl)c1 COc1ccc(cc1NC(=O)C[*:1])-c1ccc(CO)o1
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1NC(=O)CO[*:1])-c1ccc(CO)o1
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(Cl)cc1Cl OCc1ccc(o1)[*:1] COc1ccc(cc1NC(=O)COc1ccc(Cl)cc1Cl)[*:1]
O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ncn1Cc1cccnc1 c1cncc(c1)C[*:1] O=c1c2nnc3c(cnn3c2ncn1[*:1])-c1ccc(F)cc1
O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ncn1Cc1cccnc1 c1cncc(c1)[*:1] O=c1c2nnc3c(cnn3c2ncn1C[*:1])-c1ccc(F)cc1
O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ncn1Cc1cccnc1 Fc1ccc(cc1)[*:1] O=c1c2nnc3c(cnn3c2ncn1Cc1cccnc1)[*:1]
[NH3+]CC1([C@H](O)c2ccco2)CCCCCC1 c1coc(c1)[*:1] [NH3+]CC1(CCCCCC1)[C@H](O)[*:1]
CC[C@H](C)C(=O)NCc1ccccc1CN1CC[NH+](C)CC1 CC[C@H](C)C(=O)N[*:1] C[NH+]1CCN(CC1)Cc1ccccc1C[*:1]
CC[C@H](C)C(=O)NCc1ccccc1CN1CC[NH+](C)CC1 CC[C@H](C)[*:1] C[NH+]1CCN(CC1)Cc1ccccc1CNC(=O)[*:1]
O=C(c1ccc(Cl)cc1NCCOc1ccc(F)cc1)N1CCCCC1 Fc1ccc(cc1)O[*:1] O=C(c1ccc(Cl)cc1NCC[*:1])N1CCCCC1
O=C(c1ccc(Cl)cc1NCCOc1ccc(F)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] Fc1ccc(cc1)OCCNc1cc(Cl)ccc1[*:1]
O=C(c1ccc(Cl)cc1NCCOc1ccc(F)cc1)N1CCCCC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1NCCO[*:1])N1CCCCC1
CC(C)N(C)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 CC(C)[*:1] CN(C(=O)NC1CCN(CC1)S(=O)(=O)c1cnn(C)c1)[*:1]
CC(C)N(C)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] CC(C)N(C)C(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
NC(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c3ncccc23)C1 NC(=O)[*:1] O=S(=O)(c1ccc(Cl)c2ncccc12)N1CCC[C@@H](C1)C[*:1]
NC(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c3ncccc23)C1 NC(=O)C[*:1] O=S(=O)(c1ccc(Cl)c2ncccc12)N1CCC[C@@H](C1)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1 CN(C)C(=O)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)NCc1ccc(cc1)[*:1]
Cc1cc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CCC[C@H](C1)C(=O)c1ccc(F)cc1
Cc1cc(N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCC[C@H](C1)C(=O)[*:1]
O=C(Nc1nnc(C2CC2)s1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 C1CC1[*:1] O=C(Nc1nnc(s1)[*:1])N[C@@H]1CCN(C1)c1cccc(Cl)c1
O=C(Nc1nnc(C2CC2)s1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 C1CC1c1nnc(s1)[*:1] O=C(N[C@@H]1CCN(C1)c1cccc(Cl)c1)N[*:1]
O=C(Nc1nnc(C2CC2)s1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(Nc1nnc(s1)C1CC1)N[C@@H]1CCN(C1)[*:1]
Cn1ncc2c(NCCO)nc(N3CCN(Cc4ccccc4)CC3)nc21 OCC[*:1] Cn1ncc2c(nc(nc21)N1CCN(CC1)Cc1ccccc1)N[*:1]
Cn1ncc2c(NCCO)nc(N3CCN(Cc4ccccc4)CC3)nc21 OCCN[*:1] Cn1ncc2c(nc(nc21)N1CCN(CC1)Cc1ccccc1)[*:1]
Cn1ncc2c(NCCO)nc(N3CCN(Cc4ccccc4)CC3)nc21 c1ccc(cc1)C[*:1] Cn1ncc2c(nc(nc21)N1CCN(CC1)[*:1])NCCO
Cn1ncc2c(NCCO)nc(N3CCN(Cc4ccccc4)CC3)nc21 c1ccc(cc1)[*:1] Cn1ncc2c(nc(nc21)N1CCN(CC1)C[*:1])NCCO
CC[C@H]1CCCC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)CCn1cc(cn1)[*:1]
COC(=O)c1cccc(N2CCC[C@H]2c2cccc(N(C)C)c2)n1 CN(C)[*:1] COC(=O)c1cccc(n1)N1CCC[C@H]1c1cccc(c1)[*:1]
COC(=O)c1cccc(N2CCC[C@H]2c2cccc(N(C)C)c2)n1 COC(=O)[*:1] CN(C)c1cccc(c1)[C@@H]1CCCN1c1cccc(n1)[*:1]
CC[C@H](C)NC(=O)CCNC(=O)c1c(C)cc(C)cc1C CC[C@H](C)[*:1] Cc1cc(C)c(C(=O)NCCC(=O)N[*:1])c(C)c1
CC[C@H](C)NC(=O)CCNC(=O)c1c(C)cc(C)cc1C CC[C@H](C)NC(=O)[*:1] Cc1cc(C)c(C(=O)NCC[*:1])c(C)c1
NC(=O)CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F NC(=O)[*:1] O=C(Nc1ccccc1SC[*:1])c1ccc(cc1F)[N+](=O)[O-]
NC(=O)CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] NC(=O)CSc1ccccc1NC(=O)c1ccc(cc1F)[*:1]
NC(=O)CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F NC(=O)CS[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1F)[N+](=O)[O-]
NC(=O)CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F NC(=O)C[*:1] O=C(Nc1ccccc1S[*:1])c1ccc(cc1F)[N+](=O)[O-]
CCn1ccnc1CN1CCC(OCCC[NH3+])CC1 [NH3+]CCCO[*:1] CCn1ccnc1CN1CCC(CC1)[*:1]
CCn1ccnc1CN1CCC(OCCC[NH3+])CC1 [NH3+]CCC[*:1] CCn1ccnc1CN1CCC(CC1)O[*:1]
CCn1ccnc1CN1CCC(OCCC[NH3+])CC1 [NH3+]CC[*:1] CCn1ccnc1CN1CCC(CC1)OC[*:1]
Cn1nc2c(cc1=O)C[NH+](Cc1nc(-c3ccccc3)cs1)CC2 c1ccc(cc1)[*:1] Cn1nc2CC[NH+](Cc3nc(cs3)[*:1])Cc2cc1=O
COc1cc([C@@]2(C[NH2+]CC(C)C)CCC[C@H]2C)ccc1C CC(C)[*:1] COc1cc(ccc1C)[C@]1(CCC[C@H]1C)C[NH2+]C[*:1]
COc1cc([C@@]2(C[NH2+]CC(C)C)CCC[C@H]2C)ccc1C CC(C)C[*:1] COc1cc(ccc1C)[C@]1(CCC[C@H]1C)C[NH2+][*:1]
Cc1ccc(CC(=O)N2CCN(c3cc(C)n4cnnc4n3)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(nc2nncn12)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(CC(=O)N2CCN(c3cc(C)n4cnnc4n3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(nc2nncn12)N1CCN(CC1)C(=O)C[*:1]
COc1cccc(CCNC(=O)NC2CCC(O)CC2)c1O OC1CCC(CC1)[*:1] COc1cccc(CCNC(=O)N[*:1])c1O
CC(=O)C1=C(O)C(=O)N[C@H]1c1cccnc1 CC(=O)[*:1] O=C1N[C@H](C(=C1O)[*:1])c1cccnc1
CC(C)(C)[NH+](CCC(=O)Nc1ccccc1F)CC(=O)[O-] CC(C)(C)[*:1] O=C([O-])C[NH+](CCC(=O)Nc1ccccc1F)[*:1]
CC(C)(C)[NH+](CCC(=O)Nc1ccccc1F)CC(=O)[O-] Fc1ccccc1[*:1] CC(C)(C)[NH+](CCC(=O)N[*:1])CC(=O)[O-]
CCn1cc(C(=O)N2CCCCc3cc(Br)ccc32)cn1 CCn1cc(cn1)[*:1] O=C(N1CCCCc2cc(Br)ccc21)[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)N1CCO[C@H](C#N)C1 FC(F)(F)[*:1] CN(C[*:1])C(=O)CNC(=O)N1CCO[C@H](C#N)C1
CN(CC(F)(F)F)C(=O)CNC(=O)N1CCO[C@H](C#N)C1 FC(F)(F)C[*:1] CN(C(=O)CNC(=O)N1CCO[C@H](C#N)C1)[*:1]
COCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl COCC(=O)N[*:1] Clc1ccccc1Cn1c(CC[*:1])nc2ccccc21
COCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl COC[*:1] O=C(NCCc1nc2ccccc2n1Cc1ccccc1Cl)[*:1]
COCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl Clc1ccccc1[*:1] COCC(=O)NCCc1nc2ccccc2n1C[*:1]
COCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl COCC(=O)NCC[*:1] Clc1ccccc1Cn1c(nc2ccccc21)[*:1]
COCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl COCC(=O)NC[*:1] Clc1ccccc1Cn1c(C[*:1])nc2ccccc21
COCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl Clc1ccccc1C[*:1] COCC(=O)NCCc1nc2ccccc2n1[*:1]
O=C(COc1ccccc1)Nc1nc(-c2ccccn2)cs1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccccn1
O=C(COc1ccccc1)Nc1nc(-c2ccccn2)cs1 c1ccc(nc1)[*:1] O=C(COc1ccccc1)Nc1nc(cs1)[*:1]
O=C(COc1ccccc1)Nc1nc(-c2ccccn2)cs1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1nc(cs1)-c1ccccn1
CCc1ccc(N2C(=O)N(c3ccccc3OC)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 COc1ccccc1[*:1] CCc1ccc(cc1)N1C(=O)N([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CCc1ccc(N2C(=O)N(c3ccccc3OC)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 CCc1ccc(cc1)[*:1] COc1ccccc1N1C(=O)N([C@H]2CS(=O)(=O)C[C@H]21)[*:1]
COc1cccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@H]2CCS(=O)(=O)C2)c1 COc1cccc(c1)[*:1] Cc1ccc2oc(C(=O)N(C[*:1])[C@H]3CCS(=O)(=O)C3)c(C)c2c1
COc1cccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@H]2CCS(=O)(=O)C2)c1 COc1cccc(c1)C[*:1] Cc1ccc2oc(C(=O)N([C@H]3CCS(=O)(=O)C3)[*:1])c(C)c2c1
Cc1nnc(CCC[NH+](C)Cc2nc3ccccc3o2)o1 Cc1nnc(o1)[*:1] C[NH+](CCC[*:1])Cc1nc2ccccc2o1
Cc1nnc(CCC[NH+](C)Cc2nc3ccccc3o2)o1 Cc1nnc(C[*:1])o1 C[NH+](CC[*:1])Cc1nc2ccccc2o1
CN(C)c1cccc(C(=O)NCCC2=c3ccccc3=[NH+]C2)c1 CN(C)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)c1cccc(c1)[*:1]
Cc1ccccc1[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 Cc1ccccc1[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N[C@@H](C1CC1)[*:1]
Cc1ccccc1[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 C1CC1[*:1] Cc1ccccc1[C@@H](NC(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
Cc1ccc(C)c(N2N=C(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)CCC2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)C1CCC(=O)N(N=1)[*:1]
Cc1ccc(C)c(N2N=C(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)CCC2=O)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)NC[C@H]1CN(CCO1)[*:1]
Cc1ccc(C)c(N2N=C(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)CCC2=O)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)NC[C@H]1CN(CCO1)C[*:1]
CC(C)CCN(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C1CC1 CC(C)[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN(CC[*:1])C1CC1
CC(C)CCN(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C1CC1 CC(C)CC[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN(C1CC1)[*:1]
CC(C)CCN(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C1CC1 CC(C)C[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN(C[*:1])C1CC1
CC(C)CCN(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C1CC1 C1CC1[*:1] CC(C)CCN(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[*:1]
CC(C)(CNC(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)N1CCN(CC1)C(=O)c1ccccc1)[*:1]
CC(C)(CNC(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CCOCC1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)N1CCN(CC1)C(=O)[*:1])N1CCOCC1
CC(C)(CNC(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CCOCC1 CC(C)(N1CCOCC1)[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)c1ccccc1
CC(C)Cc1ccc([C@H](CC(=O)[O-])NC=O)cc1 CC(C)[*:1] O=CN[C@@H](CC(=O)[O-])c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@H](CC(=O)[O-])NC=O)cc1 O=C([O-])C[*:1] CC(C)Cc1ccc(cc1)[C@H](NC=O)[*:1]
CC(C)Cc1ccc([C@H](CC(=O)[O-])NC=O)cc1 O=CN[*:1] CC(C)Cc1ccc(cc1)[C@H](CC(=O)[O-])[*:1]
CC(C)Cc1ccc([C@H](CC(=O)[O-])NC=O)cc1 O=C([O-])[*:1] CC(C)Cc1ccc(cc1)[C@H](C[*:1])NC=O
CC(C)Cc1ccc([C@H](CC(=O)[O-])NC=O)cc1 CC(C)C[*:1] O=CN[C@@H](CC(=O)[O-])c1ccc(cc1)[*:1]
COc1cccc([N-]S(=O)(=O)c2c(C)nc3sc(C(C)C)nn23)c1 CC(C)[*:1] COc1cccc(c1)[N-]S(=O)(=O)c1c(C)nc2sc(nn12)[*:1]
COc1cccc([N-]S(=O)(=O)c2c(C)nc3sc(C(C)C)nn23)c1 COc1cccc(c1)[*:1] Cc1nc2sc(nn2c1S(=O)(=O)[N-][*:1])C(C)C
CC(=O)c1ccc(Cl)c(Cl)c1OCc1cc(C)no1 CC(=O)[*:1] Cc1cc(COc2c(ccc(Cl)c2Cl)[*:1])on1
CC(=O)c1ccc(Cl)c(Cl)c1OCc1cc(C)no1 Cc1cc(on1)[*:1] CC(=O)c1ccc(Cl)c(Cl)c1OC[*:1]
C[C@@H](Oc1ccccc1)c1nnc(SCc2ccccc2)n1C c1ccc(cc1)O[*:1] C[C@@H](c1nnc(SCc2ccccc2)n1C)[*:1]
C[C@@H](Oc1ccccc1)c1nnc(SCc2ccccc2)n1C c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1)c1nnc(SC[*:1])n1C
C[C@@H](Oc1ccccc1)c1nnc(SCc2ccccc2)n1C c1ccc(cc1)C[*:1] C[C@@H](Oc1ccccc1)c1nnc(S[*:1])n1C
C[C@@H](Oc1ccccc1)c1nnc(SCc2ccccc2)n1C c1ccc(cc1)[*:1] C[C@@H](O[*:1])c1nnc(SCc2ccccc2)n1C
Cc1nc2cc(NC(=O)CCC(=O)c3ccc(F)cc3)ccc2o1 Fc1ccc(cc1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)CCC(=O)[*:1]
O=C(NCc1ccccc1COC1CCCCC1)c1ccc2ncnn2c1 C1CCC(CC1)O[*:1] O=C(NCc1ccccc1C[*:1])c1ccc2ncnn2c1
O=C(NCc1ccccc1COC1CCCCC1)c1ccc2ncnn2c1 c1nc2ccc(cn2n1)[*:1] O=C(NCc1ccccc1COC1CCCCC1)[*:1]
O=C(NCc1ccccc1COC1CCCCC1)c1ccc2ncnn2c1 C1CCC(CC1)[*:1] O=C(NCc1ccccc1CO[*:1])c1ccc2ncnn2c1
O=C(NCc1ccccc1COC1CCCCC1)c1ccc2ncnn2c1 C1CCC(CC1)OC[*:1] O=C(NCc1ccccc1[*:1])c1ccc2ncnn2c1
CNS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)c(c1)[*:1]
CNS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 CNS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1NCc1cccc(Cl)c1)[*:1]
CNS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 Clc1cccc(c1)[*:1] CNS(=O)(=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)cc1OC(F)F FC(F)[*:1] C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)cc1O[*:1]
C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)cc1OC(F)F Cn1cc(cn1)[*:1] C[C@H](N[C@H](CO)[*:1])c1ccc(F)cc1OC(F)F
C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)cc1OC(F)F FC(F)O[*:1] C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)cc1[*:1]
C[C@@H](C(N)=O)n1nc(-c2cccs2)cc(N)c1=O c1csc(c1)[*:1] C[C@@H](C(N)=O)n1nc(cc(N)c1=O)[*:1]
C[C@@H](C(N)=O)n1nc(-c2cccs2)cc(N)c1=O NC(=O)[*:1] C[C@@H](n1nc(cc(N)c1=O)-c1cccs1)[*:1]
C[C@@H](C(N)=O)n1nc(-c2cccs2)cc(N)c1=O C[C@@H](C(N)=O)[*:1] Nc1cc(nn(c1=O)[*:1])-c1cccs1
CC(C)n1c([C@H](C)[NH2+][C@H](C)C2CCOCC2)nc2ccccc21 CC(C)[*:1] C[C@H]([NH2+][C@H](C)C1CCOCC1)c1nc2ccccc2n1[*:1]
CC(C)n1c([C@H](C)[NH2+][C@H](C)C2CCOCC2)nc2ccccc21 C1CC(CCO1)[*:1] CC(C)n1c(nc2ccccc21)[C@H](C)[NH2+][C@H](C)[*:1]
COc1ccccc1-n1c(SC)nc2c(sc(=S)n2-c2ccc(C)c(C)c2)c1=O COc1ccccc1[*:1] CSc1nc2c(sc(=S)n2-c2ccc(C)c(C)c2)c(=O)n1[*:1]
COc1ccccc1-n1c(SC)nc2c(sc(=S)n2-c2ccc(C)c(C)c2)c1=O Cc1ccc(cc1C)[*:1] COc1ccccc1-n1c(nc2c(sc(=S)n2[*:1])c1=O)SC
CCN1C(=O)[C@H]2[C@@H](C(=O)[O-])C[C@H](C(=O)[O-])[C@@H]2C1=O O=C([O-])[*:1] CCN1C(=O)[C@H]2[C@H](C[C@H]([C@@H]2C1=O)[*:1])C(=O)[O-]
COC(=O)c1cccc(CCNC(=O)NC2(c3nccs3)CCCC2)c1 COC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])NC1(CCCC1)c1nccs1
COC(=O)c1cccc(CCNC(=O)NC2(c3nccs3)CCCC2)c1 c1csc(n1)[*:1] COC(=O)c1cccc(c1)CCNC(=O)NC1(CCCC1)[*:1]
NC(=O)Cn1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)nn1 NC(=O)C[*:1] O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cn(nn1)[*:1]
NC(=O)Cn1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)nn1 NC(=O)[*:1] O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cn(C[*:1])nn1
NC(=O)Cn1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)nn1 c1ccc(cc1)[*:1] NC(=O)Cn1cc(nn1)C(=O)N[C@@H](C[NH+]1CCCC1)[*:1]
CCCC(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)s2)cc1 CCC[*:1] Cc1ccc(cc1Cl)N1C[C@H](CC1=O)c1nnc(NC(=O)c2ccc(cc2)NC(=O)[*:1])s1
CCCC(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)s2)cc1 CCCC(=O)N[*:1] Cc1ccc(cc1Cl)N1C[C@H](CC1=O)c1nnc(NC(=O)c2ccc(cc2)[*:1])s1
CCCC(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)s2)cc1 Cc1ccc(cc1Cl)[*:1] CCCC(=O)Nc1ccc(cc1)C(=O)Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1]
C[NH2+]CCCc1c(C)nn(CCS(C)(=O)=O)c1C CS(=O)(=O)C[*:1] C[NH2+]CCCc1c(C)nn(C[*:1])c1C
C[NH2+]CCCc1c(C)nn(CCS(C)(=O)=O)c1C CS(=O)(=O)[*:1] C[NH2+]CCCc1c(C)nn(CC[*:1])c1C
C[NH2+]CCCc1c(C)nn(CCS(C)(=O)=O)c1C CS(=O)(=O)CC[*:1] C[NH2+]CCCc1c(C)nn(c1C)[*:1]
C[C@@H]1CC[C@@H](N2CCO[C@H](c3ccc(F)cc3)C2)C1 C[C@@H]1CC[C@@H](C1)[*:1] Fc1ccc(cc1)[C@@H]1CN(CCO1)[*:1]
COC(=O)c1ccc(CN(C)C(=O)COc2ccc(F)cc2Cl)cc1 COC(=O)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)COc1ccc(F)cc1Cl
COC(=O)c1ccc(CN(C)C(=O)COc2ccc(F)cc2Cl)cc1 Fc1ccc(c(Cl)c1)[*:1] COC(=O)c1ccc(cc1)CN(C)C(=O)CO[*:1]
CCN(Cc1ccccc1)[C@@H](c1ccccn1)c1nnnn1C1CCCCC1 c1ccc(nc1)[*:1] CCN(Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)[*:1]
CCN(Cc1ccccc1)[C@@H](c1ccccn1)c1nnnn1C1CCCCC1 C1CCC(CC1)[*:1] CCN(Cc1ccccc1)[C@@H](c1ccccn1)c1nnnn1[*:1]
CCN(Cc1ccccc1)[C@@H](c1ccccn1)c1nnnn1C1CCCCC1 c1ccc(cc1)[*:1] CCN(C[*:1])[C@@H](c1ccccn1)c1nnnn1C1CCCCC1
CCN(Cc1ccccc1)[C@@H](c1ccccn1)c1nnnn1C1CCCCC1 c1ccc(cc1)C[*:1] CCN([C@@H](c1ccccn1)c1nnnn1C1CCCCC1)[*:1]
CN1C[C@H]2SC3=NC(c4ccccc4)=NC(=O)C3=C2CC1(C)C c1ccc(cc1)[*:1] CN1C[C@H]2SC3=NC(=NC(=O)C3=C2CC1(C)C)[*:1]
CC(=O)N1CCN(C(=O)[C@H]2COC3(CCCCC3)N2C(=O)c2ccccc2C)CC1 Cc1ccccc1[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H]1COC2(CCCCC2)N1C(=O)[*:1]
Cc1c(C(=O)Nc2ccc(F)cc2F)sc2nc(-c3ccc(F)cc3)cn12 Fc1ccc(c(F)c1)[*:1] Cc1c(sc2nc(cn12)-c1ccc(F)cc1)C(=O)N[*:1]
Cc1c(C(=O)Nc2ccc(F)cc2F)sc2nc(-c3ccc(F)cc3)cn12 Fc1ccc(cc1)[*:1] Cc1c(sc2nc(cn12)[*:1])C(=O)Nc1ccc(F)cc1F
C[C@H](O)[C@@H](C)[NH2+]CCc1cc(F)cc(F)c1 C[C@H](O)[*:1] C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)[*:1]
Cc1cc(C)c(S(=O)(=O)NOCCc2ccccc2)c(C)c1-n1ncnn1 c1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1-n1ncnn1)S(=O)(=O)NOCC[*:1]
Cc1cc(C)c(S(=O)(=O)NOCCc2ccccc2)c(C)c1-n1ncnn1 c1ccc(cc1)C[*:1] Cc1cc(C)c(c(C)c1-n1ncnn1)S(=O)(=O)NOC[*:1]
Cc1cc(C)c(S(=O)(=O)NOCCc2ccccc2)c(C)c1-n1ncnn1 c1ccc(cc1)CC[*:1] Cc1cc(C)c(c(C)c1-n1ncnn1)S(=O)(=O)NO[*:1]
O=C(CCc1ccccc1Br)NCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CCc1ccccc1Br)NCc1ccc(cc1)[*:1]
O=C(CCc1ccccc1Br)NCc1ccc(C(F)(F)F)cc1 Brc1ccccc1[*:1] O=C(CC[*:1])NCc1ccc(cc1)C(F)(F)F
C[C@@H](CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)NC(=O)[*:1]
C[C@@H](CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)NC(=O)c1ccccc1 CS(=O)(=O)NC[*:1] C[C@@H](CC(=O)N1CCCC[C@@H]1[*:1])NC(=O)c1ccccc1
C[C@@H](CC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)NC(=O)c1ccccc1 CS(=O)(=O)N[*:1] C[C@@H](CC(=O)N1CCCC[C@H]1C[*:1])NC(=O)c1ccccc1
CC[C@H]([NH3+])Cc1cc(Br)ccc1OCc1nccs1 c1csc(n1)[*:1] CC[C@H]([NH3+])Cc1cc(Br)ccc1OC[*:1]
CC[C@H]([NH3+])Cc1cc(Br)ccc1OCc1nccs1 c1csc(C[*:1])n1 CC[C@H]([NH3+])Cc1cc(Br)ccc1O[*:1]
CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1 CC(C)(C)C(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1cnc2SCCn2c1=O
CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1cnc2SCCn2c1=O
O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1I c1ccc(cc1)CC[*:1] O=C(NC(=S)NNC(=O)[*:1])c1ccccc1I
O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1I Ic1ccccc1[*:1] O=C(CCc1ccccc1)NNC(=S)NC(=O)[*:1]
O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1I c1ccc(cc1)C[*:1] O=C(C[*:1])NNC(=S)NC(=O)c1ccccc1I
O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1I c1ccc(cc1)[*:1] O=C(CC[*:1])NNC(=S)NC(=O)c1ccccc1I
CC[C@@H](C)CN(C)C(=O)c1cn(-c2ccc(Cl)cc2)nc1C Clc1ccc(cc1)[*:1] CC[C@@H](C)CN(C)C(=O)c1cn(nc1C)[*:1]
CC[C@@H](C)CN(C)C(=O)c1cn(-c2ccc(Cl)cc2)nc1C CC[C@@H](C)C[*:1] Cc1nn(cc1C(=O)N(C)[*:1])-c1ccc(Cl)cc1
CC[C@@H](C)CN(C)C(=O)c1cn(-c2ccc(Cl)cc2)nc1C CC[C@@H](C)[*:1] Cc1nn(cc1C(=O)N(C)C[*:1])-c1ccc(Cl)cc1
CCN(CC#N)CC(=O)Nc1ccc(C)cc1Br CCN(CC#N)[*:1] Cc1ccc(NC(=O)C[*:1])c(Br)c1
CCN(CC#N)CC(=O)Nc1ccc(C)cc1Br N#CC[*:1] CCN(CC(=O)Nc1ccc(C)cc1Br)[*:1]
COc1ccc([C@H](NC(=O)N2CCC(CC(N)=O)CC2)C2CC2)cc1 NC(=O)C[*:1] COc1ccc(cc1)[C@H](NC(=O)N1CCC(CC1)[*:1])C1CC1
COc1ccc([C@H](NC(=O)N2CCC(CC(N)=O)CC2)C2CC2)cc1 COc1ccc(cc1)[*:1] NC(=O)CC1CCN(CC1)C(=O)N[C@H](C1CC1)[*:1]
COc1ccc([C@H](NC(=O)N2CCC(CC(N)=O)CC2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NC(=O)N1CCC(CC1)CC(N)=O)[*:1]
COc1ccc([C@H](NC(=O)N2CCC(CC(N)=O)CC2)C2CC2)cc1 NC(=O)[*:1] COc1ccc(cc1)[C@H](NC(=O)N1CCC(CC1)C[*:1])C1CC1
Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1 Cc1cc(F)cc(c1)[*:1] CC(C)CNC(=O)c1ccc(cc1Cl)NC(=O)[*:1]
Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1 CC(C)[*:1] Cc1cc(F)cc(c1)C(=O)Nc1ccc(C(=O)NC[*:1])c(Cl)c1
Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1 CC(C)CNC(=O)[*:1] Cc1cc(F)cc(c1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1 CC(C)C[*:1] Cc1cc(F)cc(c1)C(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
c1csc(-c2cn(CCCC[NH+]3CCCCCC3)nn2)n1 c1csc(n1)[*:1] c1c(nnn1CCCC[NH+]1CCCCCC1)[*:1]
CCN(CC)C(=O)CCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 CCN(CC)C(=O)[*:1] C[NH+](C)[C@@H]1CCC[C@H](C1)NC(=O)CC[*:1]
C=CCNC(=O)CCCOc1cc(C)c(Cl)c(C)c1 C=CCNC(=O)[*:1] Cc1cc(cc(C)c1Cl)OCCC[*:1]
C=CCNC(=O)CCCOc1cc(C)c(Cl)c(C)c1 C=CC[*:1] Cc1cc(cc(C)c1Cl)OCCCC(=O)N[*:1]
CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C(CC[C@@H](C)C2)[C@@H]1c1ccccc1 CCOC(=O)[*:1] C[C@@H]1CCC2=C(C1)C(C#N)=C(N)[C@](C#N)([C@H]2c1ccccc1)[*:1]
CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C(CC[C@@H](C)C2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2C[C@H](C)CCC=2[C@H]1[*:1]
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(I)cc2)c1 Ic1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(I)cc2)c1 O=[N+]([O-])[*:1] O=S(=O)(Nc1ccc(I)cc1)c1cc(ccc1Cl)[*:1]
CC(C)c1ccc(C(=O)O[C@@H](C#N)C2CC2)cc1 CC(C)[*:1] N#C[C@H](OC(=O)c1ccc(cc1)[*:1])C1CC1
CC(C)c1ccc(C(=O)O[C@@H](C#N)C2CC2)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)C(=O)O[C@@H](C#N)[*:1]
C[NH2+][C@H](C)c1cc(F)c(C)cc1OCCCO OCC[*:1] C[NH2+][C@H](C)c1cc(F)c(C)cc1OC[*:1]
C[NH2+][C@H](C)c1cc(F)c(C)cc1OCCCO OCCC[*:1] C[NH2+][C@H](C)c1cc(F)c(C)cc1O[*:1]
C[NH2+][C@H](C)c1cc(F)c(C)cc1OCCCO OCCCO[*:1] C[NH2+][C@H](C)c1cc(F)c(C)cc1[*:1]
COC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 COC(=O)[*:1] O=C(c1ccc(cc1)NS(=O)(=O)c1ccccc1)N1CCC(CC1)[*:1]
COC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
COc1ccccc1NC1=NN=C(c2ccco2)CS1 c1coc(c1)[*:1] COc1ccccc1NC1=NN=C(CS1)[*:1]
Cc1ccc(CC(=O)N2CC=C(c3cccs3)CC2)cc1O c1csc(c1)[*:1] Cc1ccc(cc1O)CC(=O)N1CC=C(CC1)[*:1]
Cc1nnc(-c2cccc(NC(=O)c3c[nH]c4nccc(Cl)c34)c2)o1 Cc1nnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])c1c[nH]c2nccc(Cl)c12
O[C@H](COc1ccccc1)CSCc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O[C@H](CO[*:1])CSCc1ccc(Cl)cc1
NC(=O)c1cncc(C#CC2(NC(=O)C3CCCC3)CCCCC2)c1 O=C(N[*:1])C1CCCC1 NC(=O)c1cncc(C#CC2(CCCCC2)[*:1])c1
NC(=O)c1cncc(C#CC2(NC(=O)C3CCCC3)CCCCC2)c1 NC(=O)[*:1] O=C(NC1(C#Cc2cncc(c2)[*:1])CCCCC1)C1CCCC1
NC(=O)c1cncc(C#CC2(NC(=O)C3CCCC3)CCCCC2)c1 C1CCC(C1)[*:1] NC(=O)c1cncc(C#CC2(CCCCC2)NC(=O)[*:1])c1
COc1cc(OC)c(NC(=O)NC2CCCC2)cc1F C1CCC(C1)[*:1] COc1cc(OC)c(cc1F)NC(=O)N[*:1]
CN(C(=O)c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CCc2ccccc21 CS(=O)(=O)N[*:1] CN(C(=O)c1ccc(cc1)[*:1])[C@@H]1CCc2ccccc21
COc1cccc2cc([C@@H](C)NC(=O)N(C)Cc3cccc(C#N)c3)oc12 N#Cc1cccc(c1)[*:1] COc1cccc2cc(oc12)[C@@H](C)NC(=O)N(C)C[*:1]
COc1cccc2cc([C@@H](C)NC(=O)N(C)Cc3cccc(C#N)c3)oc12 N#Cc1cccc(c1)C[*:1] COc1cccc2cc(oc12)[C@@H](C)NC(=O)N(C)[*:1]
CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1N=C(C[C@H]1[*:1])c1ccc(Cl)c(Cl)c1
CN(C)C(=O)Cn1cc(NC(=O)c2cnc(-c3ccccc3)s2)cn1 c1ccc(cc1)[*:1] CN(C)C(=O)Cn1cc(cn1)NC(=O)c1cnc(s1)[*:1]
CN(C)C(=O)Cn1cc(NC(=O)c2cnc(-c3ccccc3)s2)cn1 CN(C)C(=O)[*:1] O=C(Nc1cnn(c1)C[*:1])c1cnc(s1)-c1ccccc1
CN(C)C(=O)Cn1cc(NC(=O)c2cnc(-c3ccccc3)s2)cn1 CN(C)C(=O)C[*:1] O=C(Nc1cnn(c1)[*:1])c1cnc(s1)-c1ccccc1
COc1cccc([C@H]2C[C@@H]2C(=O)NCCS(=O)(=O)N2CCc3ccccc32)c1 COc1cccc(c1)[*:1] O=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@H]1C[C@@H]1[*:1]
O=C([O-])CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O O=C([O-])[*:1] O=C(CN1C(=O)N[C@](CC[*:1])(C1=O)c1ccccc1)Nc1cccc(F)c1
O=C([O-])CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O Fc1cccc(c1)[*:1] O=C([O-])CC[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1
O=C([O-])CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O c1ccc(cc1)[*:1] O=C([O-])CC[C@]1(NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O)[*:1]
COC(=O)[C@@H]1Cc2cccc(S(=O)(=O)N(C)C)c2C1 COC(=O)[*:1] CN(C)S(=O)(=O)c1cccc2C[C@H](Cc21)[*:1]
COC(=O)[C@@H]1Cc2cccc(S(=O)(=O)N(C)C)c2C1 CN(C)S(=O)(=O)[*:1] COC(=O)[C@@H]1Cc2cccc(c2C1)[*:1]
CCCCc1cc(=O)oc2cc(OCC(=O)N3CCN=C(O)C3)ccc12 CCCC[*:1] O=C(COc1ccc2c(cc(=O)oc2c1)[*:1])N1CCN=C(O)C1
CCCCc1cc(=O)oc2cc(OCC(=O)N3CCN=C(O)C3)ccc12 CCC[*:1] O=C(COc1ccc2c(cc(=O)oc2c1)C[*:1])N1CCN=C(O)C1
Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)Nc2cc(C)nn2-c2ccccc2C)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1cc(NC(=O)C[NH+](C)CC(=O)N[*:1])n(n1)-c1ccccc1C
Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)Nc2cc(C)nn2-c2ccccc2C)c(C)c1 Cc1ccccc1[*:1] Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)Nc2cc(C)nn2[*:1])c(C)c1
COc1ccc(OC)c(NC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c1 C1CC1[*:1] COc1ccc(OC)c(c1)NC(=O)N(Cc1ccc(o1)[C@H]1C[C@H]1C)[*:1]
COC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(C)o1 COC[*:1] Cc1ccc(o1)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)[*:1]
COC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(C)o1 Cc1ccc(o1)[*:1] COC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)[*:1]
CC[C@H](CSC)N(C)C(=O)[C@H]1CCc2cn[nH]c2C1 CSC[*:1] CC[C@H](N(C)C(=O)[C@H]1CCc2cn[nH]c2C1)[*:1]
CC[C@H](CSC)N(C)C(=O)[C@H]1CCc2cn[nH]c2C1 CC[C@H](CSC)[*:1] CN(C(=O)[C@H]1CCc2cn[nH]c2C1)[*:1]
COC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)C[NH+]1CCC(=O)CC1 COC(=O)[*:1] Cc1ccc2=[NH+][C@@H](C(NC(=O)C[NH+]3CCC(=O)CC3)=c2c1)[*:1]
Cc1cncc(NC(=O)C(=O)NCCOc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)C(=O)NCCO[*:1]
Cc1cncc(NC(=O)C(=O)NCCOc2ccccc2)c1 Cc1cncc(c1)[*:1] O=C(NCCOc1ccccc1)C(=O)N[*:1]
Cc1cncc(NC(=O)C(=O)NCCOc2ccccc2)c1 c1ccc(cc1)O[*:1] Cc1cncc(c1)NC(=O)C(=O)NCC[*:1]
FC(F)(F)C1=CC(c2ccccc2)=NCC[NH2+]1 FC(F)(F)[*:1] C1=C([NH2+]CCN=C1c1ccccc1)[*:1]
COc1cc(C)c(C(=O)N2CCOC[C@H]2C2CC2)cc1OC C1CC1[*:1] COc1cc(C)c(cc1OC)C(=O)N1CCOC[C@@H]1[*:1]
Cc1ccsc1CNS(=O)(=O)N1CCC[C@H](CO)C1 Cc1ccsc1[*:1] O=S(=O)(NC[*:1])N1CCC[C@H](CO)C1
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(Cl)ccc2OC)c1 COC(=O)[*:1] COC(=O)c1ccc(cc1NC(=O)c1cc(Cl)ccc1OC)[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(Cl)ccc2OC)c1 COC(=O)[*:1] COC(=O)c1ccc(c(c1)NC(=O)c1cc(Cl)ccc1OC)[*:1]
CC(C)COc1ncc(CNC(=O)NNc2cncc(Cl)n2)cc1Cl CC(C)C[*:1] O=C(NCc1cnc(O[*:1])c(Cl)c1)NNc1cncc(Cl)n1
CC(C)COc1ncc(CNC(=O)NNc2cncc(Cl)n2)cc1Cl CC(C)CO[*:1] O=C(NCc1cnc(c(Cl)c1)[*:1])NNc1cncc(Cl)n1
CC(C)COc1ncc(CNC(=O)NNc2cncc(Cl)n2)cc1Cl Clc1cncc(n1)[*:1] CC(C)COc1ncc(cc1Cl)CNC(=O)NN[*:1]
CC(C)COc1ncc(CNC(=O)NNc2cncc(Cl)n2)cc1Cl CC(C)[*:1] O=C(NCc1cnc(OC[*:1])c(Cl)c1)NNc1cncc(Cl)n1
CCOc1ccc(Oc2ccc(S(=O)(=O)N3C[C@H](CO)OC[C@@H]3C)cc2)cc1 CCO[*:1] C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1]
CCOc1ccc(Oc2ccc(S(=O)(=O)N3C[C@H](CO)OC[C@@H]3C)cc2)cc1 CCOc1ccc(cc1)[*:1] C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(cc1)O[*:1]
O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl c1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1cc(ccc1Cl)S(=O)(=O)N[*:1]
O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl c1ccc(cc1)[*:1] O=C(N[*:1])c1cc(ccc1Cl)S(=O)(=O)Nc1ccccc1
CC[NH+](CC)C1(C(=O)Cc2ccc(Br)s2)CCCC1 Brc1ccc(s1)[*:1] CC[NH+](CC)C1(CCCC1)C(=O)C[*:1]
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)c1cccc(c1)[*:1] COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN(CC1)[*:1]
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN(CC1)c1cccc(c1)[*:1]
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 COC(=O)[*:1] O=C(CN1CCN(CC1)c1cccc(c1)C(F)(F)F)N1Cc2ccccc2C[C@@H]1[*:1]
CC(C)(C)c1c(N)nnn1Cc1c(Cl)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)c1c(N)nnn1Cc1c(Cl)cccc1[*:1]
CC(C)(C)c1c(N)nnn1Cc1c(Cl)cccc1[N+](=O)[O-] CC(C)(C)[*:1] Nc1nnn(Cc2c(Cl)cccc2[N+](=O)[O-])c1[*:1]
COc1ccc2[nH]cc(CCn3cnc4c(nnc5c(-c6ccc(F)cc6)cnn54)c3=O)c2c1 Fc1ccc(cc1)[*:1] COc1ccc2[nH]cc(CCn3cnc4c(nnc5c(cnn54)[*:1])c3=O)c2c1
COc1ccc2[nH]cc(CCn3cnc4c(nnc5c(-c6ccc(F)cc6)cnn54)c3=O)c2c1 COc1ccc2[nH]cc(c2c1)[*:1] O=c1c2nnc3c(cnn3c2ncn1CC[*:1])-c1ccc(F)cc1
CC[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1c(C)noc1C c1ccc(cc1)[*:1] CC[C@H]([C@H]1CCCN1S(=O)(=O)c1c(C)noc1C)[*:1]
CC[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)[*:1]
O=C([O-])C1CCC([NH+]2CC3(CCCCCC3)C2)CC1 O=C([O-])[*:1] C1CCCC2(CC1)C[NH+](C2)C1CCC(CC1)[*:1]
COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2nccs2)c1 O=C(Nc1nccs1)[*:1] COc1cccc(c1)-c1nn(cc1[*:1])Cc1ccccc1
COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2nccs2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1nn(cc1C(=O)Nc1nccs1)C[*:1]
COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2nccs2)c1 c1csc(n1)[*:1] COc1cccc(c1)-c1nn(cc1C(=O)N[*:1])Cc1ccccc1
COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2nccs2)c1 COc1cccc(c1)[*:1] O=C(Nc1nccs1)c1cn(Cc2ccccc2)nc1[*:1]
COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2nccs2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)-c1nn(cc1C(=O)Nc1nccs1)[*:1]
O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1cn[nH]c1 FC(F)(F)[*:1] O=C(NCc1ccc(F)cc1[*:1])Nc1cn[nH]c1
O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(NCc1ccc(F)cc1C(F)(F)F)N[*:1]
CCOC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(C)o2)c1 CCOC(=O)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
CCOC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] CCOC(=O)c1cccc(c1)NC(=O)N[C@@H](C)[*:1]
CO[C@H](CNC(=O)N1CCCCCC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@H](CNC(=O)N1CCCCCC1)[*:1]
COc1ccc(/C=C/C(=O)Nc2cccc(C)c2C(N)=O)cc1F NC(=O)[*:1] COc1ccc(/C=C/C(=O)Nc2cccc(C)c2[*:1])cc1F
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)NC[*:1]
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCCCO1 C1CC[C@H](C[*:1])OC1 O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N[*:1]
CC(C)Cc1noc(Cn2cncc(Br)c2=O)n1 CC(C)[*:1] O=c1c(Br)cncn1Cc1nc(C[*:1])no1
CC(C)Cc1noc(Cn2cncc(Br)c2=O)n1 CC(C)C[*:1] O=c1c(Br)cncn1Cc1nc(no1)[*:1]
O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1csc(-c2ccco2)n1 c1coc(c1)[*:1] O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1csc(n1)[*:1]
O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1csc(-c2ccco2)n1 Clc1ccc(cc1)[*:1] O=C(NC[C@@H](O)[*:1])c1csc(n1)-c1ccco1
COC(=O)c1ccc(/C=C/C(=O)c2ccc([N-]S(C)(=O)=O)cc2)o1 COC(=O)[*:1] CS(=O)(=O)[N-]c1ccc(cc1)C(=O)/C=C/c1ccc(o1)[*:1]
Cc1ccnc(N2CCC(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)n1 Cc1ccnc(n1)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)C1CCN(CC1)[*:1]
COc1ccc(C(=O)CCCC(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)C(=O)CCC[*:1]
COc1ccc(C(=O)CCCC(=O)[O-])cc1 O=C([O-])C[*:1] COc1ccc(cc1)C(=O)CC[*:1]
COc1ccc(C(=O)CCCC(=O)[O-])cc1 O=C([O-])CC[*:1] COc1ccc(cc1)C(=O)C[*:1]
O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[*:1]
O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 c1coc(c1)[*:1] O=C(NCc1ccc(cc1)[N+](=O)[O-])NC[C@@H]([NH+]1CCCCC1)[*:1]
O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 O=[N+]([O-])[*:1] O=C(NCc1ccc(cc1)[*:1])NC[C@@H](c1ccco1)[NH+]1CCCCC1
COCC(=O)Nc1cccc(NC(=O)C(F)(F)Br)c1 FC(F)(Br)[*:1] COCC(=O)Nc1cccc(c1)NC(=O)[*:1]
COCC(=O)Nc1cccc(NC(=O)C(F)(F)Br)c1 COCC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])C(F)(F)Br
COCC(=O)Nc1cccc(NC(=O)C(F)(F)Br)c1 COC[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])C(F)(F)Br
O=C(c1ccccc1C(F)(F)F)N1CCO[C@H](c2ccccc2)C1 FC(F)(F)[*:1] O=C(c1ccccc1[*:1])N1CCO[C@@H](C1)c1ccccc1
O=C(c1ccccc1C(F)(F)F)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccccc1C(F)(F)F)N1CCO[C@H](C1)[*:1]
Cc1ccc(-c2nnc(SCC(=O)N(C)C3CCC(C)CC3)n2C)cc1 Cc1ccc(cc1)[*:1] CC1CCC(CC1)N(C)C(=O)CSc1nnc(n1C)[*:1]
Cc1ccc(-c2nnc(SCC(=O)N(C)C3CCC(C)CC3)n2C)cc1 CC1CCC(CC1)[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N(C)[*:1])n1C
C[C@@H](O)CCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 C[C@@H](O)CC[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)N[*:1]
C[C@@H](O)CCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 C[C@@H](O)[*:1] O=C(NCC[*:1])N[C@H]1CC(=O)N(C1)C1CC1
C[C@@H](O)CCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 C[C@@H](O)C[*:1] O=C(NC[*:1])N[C@H]1CC(=O)N(C1)C1CC1
C[C@@H](O)CCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] C[C@@H](O)CCNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
C[C@H](C#N)C[NH+](C1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](C#N)C[NH+](C1CCCCC1)[*:1]
Cc1cccc2c(CC(=O)NCc3ccnc(OC(C)(C)C)c3)c[nH]c12 CC(C)(C)[*:1] Cc1cccc2c(c[nH]c12)CC(=O)NCc1ccnc(c1)O[*:1]
Cc1cccc2c(CC(=O)NCc3ccnc(OC(C)(C)C)c3)c[nH]c12 CC(C)(C)O[*:1] Cc1cccc2c(c[nH]c12)CC(=O)NCc1ccnc(c1)[*:1]
O=C(Oc1cc(Cl)cc(Cl)c1)c1cscn1 c1nc(cs1)[*:1] O=C(Oc1cc(Cl)cc(Cl)c1)[*:1]
Cc1ccc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1N[C@]2(CCCc3ccccc32)C(=O)N1C[*:1]
Cc1ccc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 Cc1ccc(cc1)C[*:1] O=C1N[C@]2(CCCc3ccccc32)C(=O)N1[*:1]
CCn1ncc2c(C(=O)Nc3cc(C(=O)OC)c(F)cc3F)cc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)Nc1cc(C(=O)OC)c(F)cc1F
CCn1ncc2c(C(=O)Nc3cc(C(=O)OC)c(F)cc3F)cc(-c3ccccc3)nc21 COC(=O)[*:1] CCn1ncc2c(cc(nc21)-c1ccccc1)C(=O)Nc1cc(c(F)cc1F)[*:1]
Cc1ccc(C(=O)N2CCCC2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@H]2S1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1NC1=N[C@H]2CS(=O)(=O)C[C@H]2S1)[*:1]
CCc1[nH]c([C@H]2N[C@](C(=O)OC)(c3ccccc3)[C@H]3C(=O)N(C)C(=O)[C@@H]23)c(C)[nH+]1 COC(=O)[*:1] CCc1[nH]c(c(C)[nH+]1)[C@H]1N[C@](c2ccccc2)([C@H]2C(=O)N(C)C(=O)[C@@H]12)[*:1]
CCc1[nH]c([C@H]2N[C@](C(=O)OC)(c3ccccc3)[C@H]3C(=O)N(C)C(=O)[C@@H]23)c(C)[nH+]1 c1ccc(cc1)[*:1] CCc1[nH]c(c(C)[nH+]1)[C@H]1N[C@](C(=O)OC)([C@H]2C(=O)N(C)C(=O)[C@@H]12)[*:1]
O=C(CSc1nccn(-c2ccc(F)c(Cl)c2)c1=O)NC1CCCCC1 Fc1ccc(cc1Cl)[*:1] O=C(CSc1nccn(c1=O)[*:1])NC1CCCCC1
O=C(CSc1nccn(-c2ccc(F)c(Cl)c2)c1=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1nccn(-c2ccc(F)c(Cl)c2)c1=O)N[*:1]
O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](C1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](c2ccccc2)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])N1CC[C@@H](C1)c1ccccc1
CCNC(=O)c1ccc(CNC(=O)NCc2ccsc2)cc1 c1cc(cs1)C[*:1] CCNC(=O)c1ccc(cc1)CNC(=O)N[*:1]
CCNC(=O)c1ccc(CNC(=O)NCc2ccsc2)cc1 CCNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])NCc1ccsc1
CCNC(=O)c1ccc(CNC(=O)NCc2ccsc2)cc1 c1cc(cs1)[*:1] CCNC(=O)c1ccc(cc1)CNC(=O)NC[*:1]
Cc1ccc(-n2cnnn2)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 c1nnnn1[*:1] Cc1ccc(cc1NC(=O)c1ccc(cc1)S(C)(=O)=O)[*:1]
Cc1ccc(-n2cnnn2)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)c1ccc(cc1)[*:1])-n1cnnn1
C[C@@H]1CCC[C@@H](CC(=O)OCc2nccn2C)C1 Cn1ccnc1[*:1] C[C@@H]1CCC[C@@H](CC(=O)OC[*:1])C1
CCC1(CNC(=O)N(Cc2cccc(OC)c2)C2CCC(O)CC2)CC1 CCC1(CC1)[*:1] COc1cccc(c1)CN(C(=O)NC[*:1])C1CCC(O)CC1
CCC1(CNC(=O)N(Cc2cccc(OC)c2)C2CCC(O)CC2)CC1 CCC1(CC1)C[*:1] COc1cccc(c1)CN(C(=O)N[*:1])C1CCC(O)CC1
CCC1(CNC(=O)N(Cc2cccc(OC)c2)C2CCC(O)CC2)CC1 COc1cccc(c1)[*:1] CCC1(CC1)CNC(=O)N(C[*:1])C1CCC(O)CC1
CCC1(CNC(=O)N(Cc2cccc(OC)c2)C2CCC(O)CC2)CC1 OC1CCC(CC1)[*:1] CCC1(CC1)CNC(=O)N(Cc1cccc(c1)OC)[*:1]
Cc1nc(C)c(CC(=O)Nc2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1nc(C)c(CC(=O)N[*:1])c(=O)[nH]1
Cc1c(NCc2cn3cccc(C)c3[nH+]2)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])NCc1cn2cccc(C)c2[nH+]1
O=C(OCCN1CCN(C(=O)C2CCC2)CC1)[C@H]1CCCc2ccccc21 C1CC(C1)[*:1] O=C(OCCN1CCN(CC1)C(=O)[*:1])[C@H]1CCCc2ccccc21
C/C(=N\N=c1/[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(C)o1 O=[N+]([O-])[*:1] C/C(=N\N=c1/[nH]c(cs1)-c1ccc(cc1)[*:1])c1ccc(C)o1
C/C(=N\N=c1/[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(C)o1 Cc1ccc(o1)[*:1] CC(=N/N=c1\[nH]c(cs1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H](C)[NH2+][C@H](C)[*:1]
COc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(N)=O)sc3n2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(c2c(N)c(sc2n1)C(N)=O)[*:1]
COc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(N)=O)sc3n2)cc1 NC(=O)[*:1] COc1ccc(cc1)-c1cc(-c2ccc(Cl)cc2)c2c(N)c(sc2n1)[*:1]
COc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(N)=O)sc3n2)cc1 COc1ccc(cc1)[*:1] NC(=O)c1sc2nc(cc(-c3ccc(Cl)cc3)c2c1N)[*:1]
Fc1cccc(/C=N/N2[C@@H](S)NN[C@@H]2[C@@H]2C=C(c3ccccc3)N=N2)c1 c1ccc(cc1)[*:1] Fc1cccc(/C=N/N2[C@@H](S)NN[C@@H]2[C@@H]2C=C(N=N2)[*:1])c1
Fc1cccc(/C=N/N2[C@@H](S)NN[C@@H]2[C@@H]2C=C(c3ccccc3)N=N2)c1 Fc1cccc(c1)[*:1] S[C@H]1NN[C@H]([C@@H]2C=C(N=N2)c2ccccc2)N1N=C[*:1]
NC(=O)NCc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCCO3)cc1 NC(=O)N[*:1] O=C(COC(=O)c1ccc(cc1)C[*:1])c1ccc2OCCCOc2c1
NC(=O)NCc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCCO3)cc1 NC(=O)NC[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])c1ccc2OCCCOc2c1
C[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@@H](C(N)=O)O1 CC(C)(C)[*:1] C[C@@H]1CN(Cc2cnn(c2)[*:1])C[C@H](O1)C(N)=O
C[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)C[C@@H](C(N)=O)O1 NC(=O)[*:1] C[C@@H]1CN(Cc2cnn(c2)C(C)(C)C)C[C@@H](O1)[*:1]
Cc1ccc2c(c1C)=[NH+][C@@H](C[NH2+]C(C)(C)CN1CCOCC1)[NH+]=2 C1CN(CCO1)[*:1] Cc1ccc2=[NH+][C@H](C[NH2+]C(C)(C)C[*:1])[NH+]=c2c1C
Cc1ccc2c(c1C)=[NH+][C@@H](C[NH2+]C(C)(C)CN1CCOCC1)[NH+]=2 C1CN(CCO1)C[*:1] Cc1ccc2=[NH+][C@H](C[NH2+]C(C)(C)[*:1])[NH+]=c2c1C
COc1ccc(Cl)cc1C(=O)N1CCC(c2nnc(C3CC3)o2)CC1 C1CC1[*:1] COc1ccc(Cl)cc1C(=O)N1CCC(CC1)c1nnc(o1)[*:1]
COc1ccc(Cl)cc1C(=O)N1CCC(c2nnc(C3CC3)o2)CC1 C1CC1c1nnc(o1)[*:1] COc1ccc(Cl)cc1C(=O)N1CCC(CC1)[*:1]
COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2C)CC1 Cc1ccccc1[*:1] COc1ccccc1N1CC[NH+](CC1)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)N[*:1]
COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2C)CC1 Cc1ccccc1NC(=O)C[*:1] COc1ccccc1N1CC[NH+](CC1)CC(=O)N1CCNC(=O)[C@H]1[*:1]
COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2C)CC1 Cc1ccccc1NC(=O)[*:1] COc1ccccc1N1CC[NH+](CC1)CC(=O)N1CCNC(=O)[C@@H]1C[*:1]
COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2C)CC1 COc1ccccc1[*:1] Cc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(CC1)[*:1]
C=CCS(=O)(=O)N1C[C@@H](CC[NH3+])c2ccccc21 C=CC[*:1] [NH3+]CC[C@@H]1CN(c2ccccc21)S(=O)(=O)[*:1]
C=CCS(=O)(=O)N1C[C@@H](CC[NH3+])c2ccccc21 [NH3+]CC[*:1] C=CCS(=O)(=O)N1C[C@@H](c2ccccc21)[*:1]
CCOC(=O)C1=C(C)C(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)=N[C@@H]1C CCOC(=O)[*:1] CC1C(/C=C(\C#N)c2nc(N)nc(n2)N(C)C)=N[C@H](C)C=1[*:1]
CCOC(=O)C1=C(C)C(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)=N[C@@H]1C CN(C)[*:1] CCOC(=O)C1=C(C)C(/C=C(\C#N)c2nc(N)nc(n2)[*:1])=N[C@@H]1C
Cc1noc(C)c1Cn1cnc2c(nnn2Cc2ccccc2Cl)c1=O Cc1noc(C)c1[*:1] O=c1c2nnn(Cc3ccccc3Cl)c2ncn1C[*:1]
Cc1noc(C)c1Cn1cnc2c(nnn2Cc2ccccc2Cl)c1=O Cc1noc(C)c1C[*:1] O=c1c2nnn(Cc3ccccc3Cl)c2ncn1[*:1]
Cc1noc(C)c1Cn1cnc2c(nnn2Cc2ccccc2Cl)c1=O Clc1ccccc1C[*:1] Cc1noc(C)c1Cn1cnc2c(nnn2[*:1])c1=O
Cc1noc(C)c1Cn1cnc2c(nnn2Cc2ccccc2Cl)c1=O Clc1ccccc1[*:1] Cc1noc(C)c1Cn1cnc2c(nnn2C[*:1])c1=O
CCN(CC)C(=O)[C@H](C)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCN(CC)C(=O)[C@H](C)Nc1ccc(cc1)NC(=O)[*:1]
CCN(CC)C(=O)[C@H](C)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 CCN(CC)C(=O)[*:1] C[C@H](Nc1ccc(cc1)NC(=O)c1ccc(Cl)cc1)[*:1]
CC(C)COc1nc(Nc2cccc(C#N)c2)ccc1N CC(C)[*:1] N#Cc1cccc(c1)Nc1ccc(N)c(n1)OC[*:1]
CC(C)COc1nc(Nc2cccc(C#N)c2)ccc1N CC(C)C[*:1] N#Cc1cccc(c1)Nc1ccc(N)c(n1)O[*:1]
CC(C)COc1nc(Nc2cccc(C#N)c2)ccc1N CC(C)CO[*:1] N#Cc1cccc(c1)Nc1ccc(N)c(n1)[*:1]
CCN(CC)C(=O)C[NH+]1CCC(c2cccc(Cc3ccccc3)n2)CC1 c1ccc(cc1)[*:1] CCN(CC)C(=O)C[NH+]1CCC(CC1)c1cccc(C[*:1])n1
CCN(CC)C(=O)C[NH+]1CCC(c2cccc(Cc3ccccc3)n2)CC1 CCN(CC)C(=O)C[*:1] c1ccc(cc1)Cc1cccc(n1)C1CC[NH+](CC1)[*:1]
CCN(CC)C(=O)C[NH+]1CCC(c2cccc(Cc3ccccc3)n2)CC1 CCN(CC)C(=O)[*:1] c1ccc(cc1)Cc1cccc(n1)C1CC[NH+](CC1)C[*:1]
CCN(CC)C(=O)C[NH+]1CCC(c2cccc(Cc3ccccc3)n2)CC1 c1ccc(cc1)C[*:1] CCN(CC)C(=O)C[NH+]1CCC(CC1)c1cccc(n1)[*:1]
CSCc1noc(CCC(=O)Nc2ccc3c(C)n[nH]c3c2)n1 CSC[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)CCc1nc(no1)[*:1]
CCn1cc(S(=O)(=O)N[C@H](CCl)C(C)C)nc1C CC(C)[C@@H](CCl)[*:1] CCn1cc(nc1C)S(=O)(=O)N[*:1]
CCn1cc(S(=O)(=O)N[C@H](CCl)C(C)C)nc1C CC(C)[*:1] CCn1cc(nc1C)S(=O)(=O)N[C@H](CCl)[*:1]
O=[N+]([O-])c1ccc(OC/C=C2\Oc3c(cccc3[N+](=O)[O-])[C@H]2N2CCOCC2)cc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(cc1)OC/C=C1\Oc2c(cccc2[*:1])[C@H]1N1CCOCC1
O=[N+]([O-])c1ccc(OC/C=C2\Oc3c(cccc3[N+](=O)[O-])[C@H]2N2CCOCC2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc2c1O/C(=C\CO[*:1])[C@@H]2N1CCOCC1
O=[N+]([O-])c1ccc(OC/C=C2\Oc3c(cccc3[N+](=O)[O-])[C@H]2N2CCOCC2)cc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cccc2c1O/C(=C\COc1ccc(cc1)[*:1])[C@@H]2N1CCOCC1
O=[N+]([O-])c1ccc(OC/C=C2\Oc3c(cccc3[N+](=O)[O-])[C@H]2N2CCOCC2)cc1 O=[N+]([O-])c1ccc(cc1)O[*:1] O=[N+]([O-])c1cccc2c1O/C(=C\C[*:1])[C@@H]2N1CCOCC1
O=[N+]([O-])c1ccc(OC/C=C2\Oc3c(cccc3[N+](=O)[O-])[C@H]2N2CCOCC2)cc1 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccc(cc1)OC/C=C1\Oc2c(cccc2[N+](=O)[O-])[C@@H]1[*:1]
CN1C(=O)[C@@]2(CCCN(Cc3ccccc3OCCO)C2)c2ccccc21 OCCO[*:1] CN1C(=O)[C@@]2(CCCN(Cc3ccccc3[*:1])C2)c2ccccc21
CN1C(=O)[C@@]2(CCCN(Cc3ccccc3OCCO)C2)c2ccccc21 OCC[*:1] CN1C(=O)[C@@]2(CCCN(Cc3ccccc3O[*:1])C2)c2ccccc21
COc1ccnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)n1 COc1ccnc(n1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CCN(CC1)[*:1]
COC(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1nc2ccccc2s1 c1ccc(cc1)[*:1] COC(=O)c1ccccc1C(=O)N(C[*:1])c1nc2ccccc2s1
COC(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1nc2ccccc2s1 COC(=O)[*:1] O=C(c1ccccc1[*:1])N(Cc1ccccc1)c1nc2ccccc2s1
COC(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] COC(=O)c1ccccc1C(=O)N(Cc1ccccc1)[*:1]
COC(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1nc2ccccc2s1 c1ccc(cc1)C[*:1] COC(=O)c1ccccc1C(=O)N(c1nc2ccccc2s1)[*:1]
COc1ccc(-c2n[nH]cc2CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1 COc1ccc(cc1)[*:1] CO[C@@H]1CC[C@H]2OCCN(Cc3c[nH]nc3[*:1])[C@H]2C1
C[C@H](CC(=O)N(C)Cc1nccs1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N(C)Cc1nccs1)NC(=O)[*:1]
C[C@H](CC(=O)N(C)Cc1nccs1)NC(=O)c1ccccc1 c1csc(n1)[*:1] C[C@H](CC(=O)N(C)C[*:1])NC(=O)c1ccccc1
C[C@H](CC(=O)N(C)Cc1nccs1)NC(=O)c1ccccc1 c1csc(C[*:1])n1 C[C@H](CC(=O)N(C)[*:1])NC(=O)c1ccccc1
Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)[NH3+])c2)cc1 Cc1ccc(cc1)[*:1] C[C@H]([NH3+])C(=O)Nc1cccc(c1)NC(=O)[*:1]
O=C(NCCN1CCOCC1)[C@@H]1CCC(=O)N1Cc1ccccc1Cl Clc1ccccc1C[*:1] O=C(NCCN1CCOCC1)[C@@H]1CCC(=O)N1[*:1]
O=C(NCCN1CCOCC1)[C@@H]1CCC(=O)N1Cc1ccccc1Cl Clc1ccccc1[*:1] O=C(NCCN1CCOCC1)[C@@H]1CCC(=O)N1C[*:1]
O=C(NCCN1CCOCC1)[C@@H]1CCC(=O)N1Cc1ccccc1Cl C1CN(CCO1)C[*:1] O=C(NC[*:1])[C@@H]1CCC(=O)N1Cc1ccccc1Cl
O=C(NCCN1CCOCC1)[C@@H]1CCC(=O)N1Cc1ccccc1Cl C1CN(CCO1)[*:1] O=C(NCC[*:1])[C@@H]1CCC(=O)N1Cc1ccccc1Cl
O=C(NCCN1CCOCC1)[C@@H]1CCC(=O)N1Cc1ccccc1Cl C1CN(CCO1)CC[*:1] O=C(N[*:1])[C@@H]1CCC(=O)N1Cc1ccccc1Cl
Cc1ccc(C(=O)COc2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1C Cc1ccc(cc1C)[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1cccc(c1)OCC(=O)[*:1]
COc1cccc(-c2cc(NC(=O)C[C@@H](O)c3cccc(F)c3)n(C)n2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)-c1cc(NC(=O)C[C@@H](O)[*:1])n(C)n1
COc1cccc(-c2cc(NC(=O)C[C@@H](O)c3cccc(F)c3)n(C)n2)c1 COc1cccc(c1)[*:1] Cn1nc(cc1NC(=O)C[C@@H](O)c1cccc(F)c1)[*:1]
CC(C)N1C[C@H](C(=O)N(C)c2cccc(C#N)c2)CC1=O CC(C)[*:1] CN(C(=O)[C@@H]1CC(=O)N(C1)[*:1])c1cccc(C#N)c1
COCCCNC(=O)CC1CCN(C(=O)[C@@H]2N=C(C)C(C)=C2C)CC1 COCC[*:1] CC1=N[C@@H](C(=O)N2CCC(CC2)CC(=O)NC[*:1])C(C)=C1C
COCCCNC(=O)CC1CCN(C(=O)[C@@H]2N=C(C)C(C)=C2C)CC1 COC[*:1] CC1=N[C@@H](C(=O)N2CCC(CC2)CC(=O)NCC[*:1])C(C)=C1C
COCCCNC(=O)CC1CCN(C(=O)[C@@H]2N=C(C)C(C)=C2C)CC1 COCCC[*:1] CC1=N[C@@H](C(=O)N2CCC(CC2)CC(=O)N[*:1])C(C)=C1C
COCCCNC(=O)CC1CCN(C(=O)[C@@H]2N=C(C)C(C)=C2C)CC1 COCCCNC(=O)[*:1] CC1=N[C@@H](C(=O)N2CCC(CC2)C[*:1])C(C)=C1C
CCOC(=O)c1cc(NC(=O)CCC(=O)[O-])ccc1Cl O=C([O-])CC[*:1] CCOC(=O)c1cc(ccc1Cl)NC(=O)[*:1]
CCOC(=O)c1cc(NC(=O)CCC(=O)[O-])ccc1Cl O=C([O-])[*:1] CCOC(=O)c1cc(ccc1Cl)NC(=O)CC[*:1]
CCOC(=O)c1cc(NC(=O)CCC(=O)[O-])ccc1Cl O=C([O-])C[*:1] CCOC(=O)c1cc(ccc1Cl)NC(=O)C[*:1]
CCOC(=O)c1cc(NC(=O)CCC(=O)[O-])ccc1Cl CCOC(=O)[*:1] O=C([O-])CCC(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1ccccc1[C@H](C)NC(=O)[C@H](C)SCC(C)C CC(C)C[*:1] COc1ccccc1[C@H](C)NC(=O)[C@H](C)S[*:1]
COc1ccccc1[C@H](C)NC(=O)[C@H](C)SCC(C)C CC(C)[*:1] COc1ccccc1[C@H](C)NC(=O)[C@H](C)SC[*:1]
COc1ccccc1[C@H](C)NC(=O)[C@H](C)SCC(C)C CC(C)CS[*:1] COc1ccccc1[C@H](C)NC(=O)[C@H](C)[*:1]
Cc1cc(NC(=O)C[C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C[C@H](C)[NH2+]C[C@@](C)(O)[*:1]
Cc1cc(NC(=O)C[C@H](C)[NH2+]C[C@@](C)(O)c2ccc(F)cc2)no1 Cc1cc(no1)[*:1] C[C@@H](CC(=O)N[*:1])[NH2+]C[C@@](C)(O)c1ccc(F)cc1
O=C(c1ccc(F)c(F)c1)N1CCN(c2ncccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccc(F)c(F)c1)N1CCN(CC1)c1ncccc1[*:1]
O=C(c1ccc(F)c(F)c1)N1CCN(c2ncccc2C(F)(F)F)CC1 Fc1ccc(cc1F)[*:1] O=C(N1CCN(CC1)c1ncccc1C(F)(F)F)[*:1]
CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(-c3ccoc3)c2)C1 c1cc(co1)[*:1] CCOC(=O)[C@@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)[*:1]
CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(-c3ccoc3)c2)C1 CCOC(=O)[*:1] O=C(N[C@H]1CC[C@H](C1)[*:1])c1cccc(c1)-c1ccoc1
COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)OCC(=O)N[*:1]
COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)NC(=O)COC(=O)[C@H]1CC(=O)N(C1)[*:1]
COC[C@H](NC(=O)NCc1cc(=O)[nH]c2ccccc12)c1ccco1 COC[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)N[C@H](c1ccco1)[*:1]
COC[C@H](NC(=O)NCc1cc(=O)[nH]c2ccccc12)c1ccco1 c1coc(c1)[*:1] COC[C@H](NC(=O)NCc1cc(=O)[nH]c2ccccc12)[*:1]
COCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2)C1=O COCCC[*:1] O=C1CN(C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccccc3)N12)[*:1]
COCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2)C1=O COCC[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccccc3)N2C(=O)CN1C[*:1]
COCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2)C1=O COC[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccccc3)N2C(=O)CN1CC[*:1]
COCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2)C1=O c1ccc(cc1)[*:1] COCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2[*:1])C1=O
COc1ccccc1[C@H](C)N[C@H](C(=O)N1CCOCC1)C(C)C CC(C)[*:1] COc1ccccc1[C@H](C)N[C@H](C(=O)N1CCOCC1)[*:1]
CN(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 CN(C)[*:1] O=[N+]([O-])c1ccccc1/C=N/n1c(n[nH]c1=S)-c1ccc(cc1)[*:1]
CN(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(C)c1ccc(cc1)-c1n[nH]c(=S)n1/N=C/c1ccccc1[*:1]
CC[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)C(=O)OC c1ccc(cc1)[*:1] CC[C@H](NC(=O)c1ccccc1-c1ncc(o1)[*:1])C(=O)OC
CC[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)c1ccccc1-c1ncc(o1)-c1ccccc1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 C[C@@H](c1ccccc1)[*:1] CN(CC(=O)N(C)[*:1])S(=O)(=O)c1ccc(F)cc1
C[C@@H](c1ccccc1)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](c1ccccc1)N(C)C(=O)CN(C)S(=O)(=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCCO3)cc1 CC(=O)N[*:1] O=C1NCCOc2ccc(cc21)NS(=O)(=O)c1ccc(cc1)[*:1]
CN(Cc1cccs1)C(=O)NCC#Cc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cccs1)C(=O)NCC#C[*:1]
CN(Cc1cccs1)C(=O)NCC#Cc1ccccc1 c1csc(c1)[*:1] CN(C[*:1])C(=O)NCC#Cc1ccccc1
CN(Cc1cccs1)C(=O)NCC#Cc1ccccc1 c1csc(c1)C[*:1] CN(C(=O)NCC#Cc1ccccc1)[*:1]
Cc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)nc2c1 Cc1ccccc1[*:1] O=C(c1ccc2OCOc2c1)N1CCC[C@@H]1c1nc2cc(ccc2o1)[*:1]
Cc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)nc2c1 c1cc2OCOc2cc1[*:1] Cc1ccccc1-c1ccc2oc(nc2c1)[C@H]1CCCN1C(=O)[*:1]
CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 CS(=O)(=O)CC[*:1] O=S(=O)(c1ccc(cc1)NC1CC[NH+](CC1)[*:1])C(F)F
CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 O=S(=O)(C(F)F)[*:1] CS(=O)(=O)CC[NH+]1CCC(CC1)Nc1ccc(cc1)[*:1]
CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 CS(=O)(=O)C[*:1] O=S(=O)(c1ccc(cc1)NC1CC[NH+](CC1)C[*:1])C(F)F
CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 FC(F)[*:1] CS(=O)(=O)CC[NH+]1CCC(CC1)Nc1ccc(cc1)S(=O)(=O)[*:1]
CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 CS(=O)(=O)[*:1] O=S(=O)(c1ccc(cc1)NC1CC[NH+](CC1)CC[*:1])C(F)F
O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CSc1nnc(NC(=O)c2ccccc2)s1)N[*:1]
O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NC[*:1]
O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCc1ccc(F)cc1 O=C(N[*:1])c1ccccc1 O=C(CSc1nnc(s1)[*:1])NCc1ccc(F)cc1
O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)NCc1ccc(F)cc1
Cc1ccccc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 O=S(=O)(NC1CC1)[*:1] Cc1ccccc1C(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 Cc1ccccc1[*:1] O=C(Nc1cccc(c1)S(=O)(=O)NC1CC1)[*:1]
Cc1ccccc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 C1CC1[*:1] Cc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)N[*:1]
Cc1nccn1CC[NH+](C)CCC1CCN(c2cc[nH+]cc2)CC1 Cc1nccn1CC[*:1] C[NH+](CCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
Cc1nccn1CC[NH+](C)CCC1CCN(c2cc[nH+]cc2)CC1 Cc1nccn1C[*:1] C[NH+](CCC1CCN(CC1)c1cc[nH+]cc1)C[*:1]
Cc1nccn1CC[NH+](C)CCC1CCN(c2cc[nH+]cc2)CC1 c1cc(cc[nH+]1)[*:1] Cc1nccn1CC[NH+](C)CCC1CCN(CC1)[*:1]
Cc1nccn1CC[NH+](C)CCC1CCN(c2cc[nH+]cc2)CC1 Cc1nccn1[*:1] C[NH+](CCC1CCN(CC1)c1cc[nH+]cc1)CC[*:1]
CCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CN3CC)cc1F CCO[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)NCc1ccc(c(F)c1)[*:1]
COCC[NH2+]C/C=C/c1ccc2ncccc2c1 COC[*:1] C(=C/c1ccc2ncccc2c1)\C[NH2+]C[*:1]
COCC[NH2+]C/C=C/c1ccc2ncccc2c1 COCC[*:1] C(=C/c1ccc2ncccc2c1)\C[NH2+][*:1]
NC(=O)CCC(=O)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 NC(=O)CC[*:1] O=C(N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1)[*:1]
NC(=O)CCC(=O)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)CCC(=O)N1CCO[C@H](CC(c2ccccc2)[*:1])C1
NC(=O)CCC(=O)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 NC(=O)[*:1] O=C(CC[*:1])N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1
NC(=O)CCC(=O)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 NC(=O)C[*:1] O=C(C[*:1])N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1
O=C(Nc1ccc2ccccc2n1)c1cccnc1Sc1ccccc1 c1ccc(cc1)S[*:1] O=C(Nc1ccc2ccccc2n1)c1cccnc1[*:1]
O=C(Nc1ccc2ccccc2n1)c1cccnc1Sc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2ccccc2n1)c1cccnc1S[*:1]
Cc1ccc(CNC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1ccc2OCCOc2c1)NC[*:1]
Cc1ccc(CNC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 Cc1ccc(cc1)C[*:1] O=C(CSc1nnc(o1)-c1ccc2OCCOc2c1)N[*:1]
O=C1C[C@H](Sc2nnc(Cc3ccccc3)o2)C(=O)N1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1C[C@H](Sc2nnc(Cc3ccccc3)o2)C(=O)N1c1cccc(c1)[*:1]
O=C1C[C@H](Sc2nnc(Cc3ccccc3)o2)C(=O)N1c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C1C[C@H](Sc2nnc(Cc3ccccc3)o2)C(=O)N1[*:1]
O=C1C[C@H](Sc2nnc(Cc3ccccc3)o2)C(=O)N1c1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C1C[C@H](Sc2nnc(C[*:1])o2)C(=O)N1c1cccc(c1)C(F)(F)F
O=C1C[C@H](Sc2nnc(Cc3ccccc3)o2)C(=O)N1c1cccc(C(F)(F)F)c1 c1ccc(cc1)C[*:1] O=C1C[C@H](Sc2nnc(o2)[*:1])C(=O)N1c1cccc(c1)C(F)(F)F
CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)CC2)ccc1F CN(C)C(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])C(=O)N1CCN(CC1)C1CC1
CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)CC2)ccc1F C1CC1[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)C(=O)N1CCN(CC1)[*:1]
COCCN1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)CC1=O CC(C)[*:1] COCCN1CCN(CC1=O)C(=O)NC[C@@H]([NH+]1CCCCCC1)[*:1]
COCCN1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)CC1=O COCC[*:1] CC(C)[C@H](CNC(=O)N1CCN(C(=O)C1)[*:1])[NH+]1CCCCCC1
COCCN1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)CC1=O COC[*:1] CC(C)[C@H](CNC(=O)N1CCN(C[*:1])C(=O)C1)[NH+]1CCCCCC1
COc1ccc(-c2cc(N(C)Cc3ccn(C(C)C)n3)[nH][nH+]2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1cc([nH][nH+]1)N(C)Cc1ccn(n1)[*:1]
COc1ccc(-c2cc(N(C)Cc3ccn(C(C)C)n3)[nH][nH+]2)cc1 CC(C)n1ccc(n1)[*:1] COc1ccc(cc1)-c1cc([nH][nH+]1)N(C)C[*:1]
COc1ccc(-c2cc(N(C)Cc3ccn(C(C)C)n3)[nH][nH+]2)cc1 COc1ccc(cc1)[*:1] CC(C)n1ccc(CN(C)c2cc([nH+][nH]2)[*:1])n1
Cc1ccc(NC(=O)c2ccccc2N2CCCC2=O)cc1F O=C1CCCN1[*:1] Cc1ccc(cc1F)NC(=O)c1ccccc1[*:1]
C[C@H](C(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)N1C(=O)c2ccccc2C1=O O=C1c2ccccc2C(=O)N1[*:1] C[C@H](C(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)N1CCCC1)[*:1]
C[C@H](C(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)N1C(=O)c2ccccc2C1=O O=S(=O)(N1CCCC1)[*:1] C[C@H](C(=O)Nc1nc2ccc(cc2s1)[*:1])N1C(=O)c2ccccc2C1=O
CN(C)C(=O)c1ccc(F)c(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 CN(C)C(=O)[*:1] O=C(Nc1cc(ccc1F)[*:1])N1CC[C@@H]2CCCC[C@@H]21
CC(C)N1CCC[C@]2(CCN(C(=O)c3ccn(C(C)(C)C)c3)C2)C1=O CC(C)[*:1] CC(C)(C)n1ccc(c1)C(=O)N1CC[C@]2(CCCN(C2=O)[*:1])C1
CC(C)N1CCC[C@]2(CCN(C(=O)c3ccn(C(C)(C)C)c3)C2)C1=O CC(C)(C)[*:1] CC(C)N1CCC[C@]2(CCN(C2)C(=O)c2ccn(c2)[*:1])C1=O
O=C(COC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1ccc(cc1)[*:1] O=C(COC(=O)[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
O=C(COC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=C(O[*:1])c1ccccc1 O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
O=C(COC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(COC(=O)c1ccccc1)Nc1ccc(cc1)[*:1]
CC(C)[NH+]1CCC(C(=O)NCc2ccc(OCc3cccnc3)cc2)CC1 c1cncc(c1)[*:1] CC(C)[NH+]1CCC(CC1)C(=O)NCc1ccc(cc1)OC[*:1]
CC(C)[NH+]1CCC(C(=O)NCc2ccc(OCc3cccnc3)cc2)CC1 c1cncc(c1)CO[*:1] CC(C)[NH+]1CCC(CC1)C(=O)NCc1ccc(cc1)[*:1]
CC(C)[NH+]1CCC(C(=O)NCc2ccc(OCc3cccnc3)cc2)CC1 c1cncc(c1)C[*:1] CC(C)[NH+]1CCC(CC1)C(=O)NCc1ccc(cc1)O[*:1]
CC(C)[NH+]1CCC(C(=O)NCc2ccc(OCc3cccnc3)cc2)CC1 CC(C)[*:1] O=C(NCc1ccc(cc1)OCc1cccnc1)C1CC[NH+](CC1)[*:1]
O=C(CCNC(=O)c1ccccc1)NCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CCNC(=O)c1ccccc1)NCc1ccc(cc1)[*:1]
O=C(CCNC(=O)c1ccccc1)NCc1ccc(C(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C(CCNC(=O)[*:1])NCc1ccc(cc1)C(F)(F)F
Brc1ccc([C@H]2C[NH2+]CC[C@@H]2c2cncn2C2CC2)cc1 Brc1ccc(cc1)[*:1] c1ncn(c1[C@H]1CC[NH2+]C[C@@H]1[*:1])C1CC1
Brc1ccc([C@H]2C[NH2+]CC[C@@H]2c2cncn2C2CC2)cc1 C1CC1[*:1] Brc1ccc(cc1)[C@H]1C[NH2+]CC[C@@H]1c1cncn1[*:1]
COc1cccc(CNC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])C1CN(C1)C(=O)c1c[nH]c2ccccc12
COc1cccc(CNC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)c1 COc1cccc(c1)C[*:1] O=C(N[*:1])C1CN(C1)C(=O)c1c[nH]c2ccccc12
COc1cccc(CNC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)c1 c1ccc2c(c[nH]c2c1)[*:1] COc1cccc(c1)CNC(=O)C1CN(C1)C(=O)[*:1]
C[C@H]1Cc2nc(SCC(=O)OCc3ccccc3)n(C)c(=O)c2S1 c1ccc(cc1)C[*:1] C[C@H]1Cc2nc(SCC(=O)O[*:1])n(C)c(=O)c2S1
C[C@H]1Cc2nc(SCC(=O)OCc3ccccc3)n(C)c(=O)c2S1 c1ccc(cc1)[*:1] C[C@H]1Cc2nc(SCC(=O)OC[*:1])n(C)c(=O)c2S1
COc1ccc2cc(C#N)c(SCC(=O)Nc3cc(C)ccc3C)nc2c1 Cc1ccc(C)c(c1)[*:1] COc1ccc2cc(C#N)c(nc2c1)SCC(=O)N[*:1]
O=C(c1ccno1)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1 C1CC1[*:1] O=C(c1ccno1)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
O=C(c1ccno1)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1 C1CC1c1nc(no1)[*:1] O=C(c1ccno1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
O=C(c1ccno1)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1 c1cc(on1)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C1CC1)[*:1]
Cc1c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)oc2c1C(=O)CC(C)(C)C2 C1CN(CCO1)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)Nc1cccc(Cl)c1[*:1]
CC(C)c1ccc(CN(C(=O)[C@H]2C[C@H]2C)C2CC2)cc1 CC(C)[*:1] C[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(cc1)[*:1])C1CC1
CC(C)c1ccc(CN(C(=O)[C@H]2C[C@H]2C)C2CC2)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)CN(C(=O)[C@H]1C[C@H]1C)[*:1]
CC(C)OC(=O)c1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)cc1 CC(C)OC(=O)[*:1] O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(cc1)[*:1]
CC(C)OC(=O)c1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)cc1 CC(C)[*:1] O=C(O[*:1])c1ccc(cc1)N1C(=O)C(Cl)=C(Cl)C1=O
COc1ccccc1CCN(C)C(=O)c1cc(S(N)(=O)=O)c(C)o1 COc1ccccc1[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)N(C)CC[*:1]
COc1ccccc1CCN(C)C(=O)c1cc(S(N)(=O)=O)c(C)o1 NS(=O)(=O)[*:1] COc1ccccc1CCN(C)C(=O)c1cc(c(C)o1)[*:1]
O[C@H](CCc1ccccc1)[C@@H]1C[NH+]2CCN1CC2 c1ccc(cc1)[*:1] O[C@H](CC[*:1])[C@@H]1C[NH+]2CCN1CC2
CC(C)COc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl CC(C)C[*:1] O=C(Nc1ccc(O[*:1])c(Cl)c1)c1ccc(Br)o1
CC(C)COc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl CC(C)[*:1] O=C(Nc1ccc(OC[*:1])c(Cl)c1)c1ccc(Br)o1
CC(C)COc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl Brc1ccc(o1)[*:1] CC(C)COc1ccc(cc1Cl)NC(=O)[*:1]
CC(C)COc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl CC(C)CO[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1ccc(Br)o1
COC[C@@H](NC(=O)C[C@@H](C)c1c(C)n[nH]c1C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)C[C@@H](C)c1c(C)n[nH]c1C)[*:1]
COC[C@@H](NC(=O)C[C@@H](C)c1c(C)n[nH]c1C)c1ccc(F)c(F)c1 Cc1n[nH]c(C)c1[*:1] COC[C@@H](NC(=O)C[C@@H](C)[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)C[C@@H](C)c1c(C)n[nH]c1C)c1ccc(F)c(F)c1 COC[*:1] Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COC(=O)[C@H](CO)NC(=O)c1c(F)cc(Br)cc1F COC(=O)[*:1] O=C(N[C@@H](CO)[*:1])c1c(F)cc(Br)cc1F
Cc1ncccc1CNc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] Cc1ncccc1CNc1cnn(c1)[*:1]
O=C(N[C@H]1CC=CCC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CC=CCC1)N[C@@H]1CCCc2c1cnn2[*:1]
O=C(N[C@H]1CC=CCC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CC=CCC1)N[C@@H]1CCCc2c1cnn2C[*:1]
CC[C@@H](NC(=O)N(C)Cc1cnn(C)c1)c1c(C)nn(C)c1C Cn1cc(cn1)[*:1] CC[C@@H](NC(=O)N(C)C[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)N(C)Cc1cnn(C)c1)c1c(C)nn(C)c1C Cn1cc(cn1)C[*:1] CC[C@@H](NC(=O)N(C)[*:1])c1c(C)nn(C)c1C
O=C(Nc1nncs1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 c1csc(c1)CC[*:1] O=C(Nc1nncs1)c1ccc(cc1)S(=O)(=O)N[*:1]
O=C(Nc1nncs1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 c1nnc(s1)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NCCc1cccs1
O=C(Nc1nncs1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 c1csc(c1)C[*:1] O=C(Nc1nncs1)c1ccc(cc1)S(=O)(=O)NC[*:1]
O=C(Nc1nncs1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 O=C(Nc1nncs1)[*:1] O=S(=O)(NCCc1cccs1)c1ccc(cc1)[*:1]
O=C(Nc1nncs1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 c1csc(c1)[*:1] O=C(Nc1nncs1)c1ccc(cc1)S(=O)(=O)NCC[*:1]
Cc1cccc(O[C@@H](C)C(=O)OCc2ccc(C#N)cc2)c1 Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)OCc1ccc(C#N)cc1
Cc1cccc(-c2nnc(COC(=O)c3csc(-c4ccccc4)n3)o2)c1 Cc1cccc(c1)[*:1] O=C(OCc1nnc(o1)[*:1])c1csc(n1)-c1ccccc1
Cc1cccc(-c2nnc(COC(=O)c3csc(-c4ccccc4)n3)o2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1nnc(COC(=O)c2csc(n2)[*:1])o1
O=C(NCCN1CCN(c2cnc3ccccc3n2)CC1)c1ccco1 c1coc(c1)[*:1] O=C(NCCN1CCN(CC1)c1cnc2ccccc2n1)[*:1]
O=C(NCCN1CCN(c2cnc3ccccc3n2)CC1)c1ccco1 O=C(N[*:1])c1ccco1 c1ccc2nc(cnc2c1)N1CCN(CC1)CC[*:1]
CCCCn1nc(C(=O)N2CCCc3c(F)ccc(C)c32)ccc1=O CCCC[*:1] Cc1ccc(F)c2CCCN(C(=O)c3ccc(=O)n(n3)[*:1])c12
CCCCn1nc(C(=O)N2CCCc3c(F)ccc(C)c32)ccc1=O CCC[*:1] Cc1ccc(F)c2CCCN(C(=O)c3ccc(=O)n(C[*:1])n3)c12
COC[C@H](C)NC1=[NH+]CCCC1 COC[*:1] C[C@H](NC1CCCC[NH+]=1)[*:1]
Cc1ccccc1OCCN(C)C(=O)c1ccc(=O)[nH]c1 O=c1ccc(c[nH]1)[*:1] Cc1ccccc1OCCN(C)C(=O)[*:1]
Cc1ccccc1OCCN(C)C(=O)c1ccc(=O)[nH]c1 Cc1ccccc1[*:1] CN(CCO[*:1])C(=O)c1ccc(=O)[nH]c1
COc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(=O)[O-])cc1 COc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ccc(NC(=O)C[*:1])c(c1)C(=O)[O-]
COc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(cc1[*:1])N1CC[NH+](C)CC1
COc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(=O)[O-])cc1 COc1ccc(cc1)C[*:1] C[NH+]1CCN(CC1)c1ccc(NC(=O)[*:1])c(c1)C(=O)[O-]
CCOc1cccc2sc(N3CCN(C(=O)c4ccc5c(c4)OCCO5)CC3)nc12 c1cc2OCCOc2cc1[*:1] CCOc1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
CCOc1cccc2sc(N3CCN(C(=O)c4ccc5c(c4)OCCO5)CC3)nc12 CCO[*:1] O=C(c1ccc2OCCOc2c1)N1CCN(CC1)c1nc2c(cccc2s1)[*:1]
O=C(Nc1nccs1)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] O=C(Nc1nccs1)c1csc(n1)[*:1]
O=C(Nc1nccs1)c1csc(-c2cccs2)n1 c1csc(n1)[*:1] O=C(N[*:1])c1csc(n1)-c1cccs1
Cc1ccc(Cc2c(C)nc(NS(=O)(=O)c3ccc(Cl)cc3)nc2[O-])cc1 Cc1ccc(cc1)C[*:1] Cc1nc(nc([O-])c1[*:1])NS(=O)(=O)c1ccc(Cl)cc1
Cc1ccc(Cc2c(C)nc(NS(=O)(=O)c3ccc(Cl)cc3)nc2[O-])cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)Cc1c(C)nc(nc1[O-])NS(=O)(=O)[*:1]
Cc1ccc(Cc2c(C)nc(NS(=O)(=O)c3ccc(Cl)cc3)nc2[O-])cc1 Cc1ccc(cc1)[*:1] Cc1nc(nc([O-])c1C[*:1])NS(=O)(=O)c1ccc(Cl)cc1
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] CC[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1]
CCCCOc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 Oc1ccc(cc1)[*:1] CCCCOc1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
CCCCOc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 CCCCO[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(O)cc1
CCCCOc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 CCC[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCN(CC1)c1ccc(O)cc1
CCCCOc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 CCCC[*:1] O=C(c1ccc(cc1)O[*:1])N1CCN(CC1)c1ccc(O)cc1
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](/C=C/c1ccccc1)n1ncnc1N2 c1ccc(cc1)[*:1] O=C1C[C@@H](CC2Nc3ncnn3[C@H](C=C[*:1])C=21)c1ccccc1
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](/C=C/c1ccccc1)n1ncnc1N2 c1ccc(cc1)[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@H](/C=C/c3ccccc3)C=21)[*:1]
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](/C=C/c1ccccc1)n1ncnc1N2 C(=C[*:1])c1ccccc1 O=C1C[C@@H](CC2Nc3ncnn3[C@H](C=21)[*:1])c1ccccc1
CC(C)n1cncc1[C@@H]1C[NH+]=C(N)N1C1CC1 CC(C)[*:1] NC1=[NH+]C[C@@H](c2cncn2[*:1])N1C1CC1
CC(C)n1cncc1[C@@H]1C[NH+]=C(N)N1C1CC1 C1CC1[*:1] CC(C)n1cncc1[C@@H]1C[NH+]=C(N)N1[*:1]
O=C(Nc1ccccc1OCC1CC1)c1ccc(Br)s1 C1CC1[*:1] O=C(Nc1ccccc1OC[*:1])c1ccc(Br)s1
O=C(Nc1ccccc1OCC1CC1)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(Nc1ccccc1OCC1CC1)[*:1]
O=C(Nc1ccccc1OCC1CC1)c1ccc(Br)s1 C1CC1CO[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Br)s1
O=C(Nc1ccccc1OCC1CC1)c1ccc(Br)s1 C1CC1C[*:1] O=C(Nc1ccccc1O[*:1])c1ccc(Br)s1
CC(C)C[C@@H]1NC(=O)N(C[C@H](O)c2ccccc2Cl)C1=O CC(C)C[*:1] O=C1N[C@H](C(=O)N1C[C@H](O)c1ccccc1Cl)[*:1]
CC(C)C[C@@H]1NC(=O)N(C[C@H](O)c2ccccc2Cl)C1=O Clc1ccccc1[*:1] CC(C)C[C@@H]1NC(=O)N(C[C@H](O)[*:1])C1=O
CC(C)C[C@@H]1NC(=O)N(C[C@H](O)c2ccccc2Cl)C1=O CC(C)[*:1] O=C1N[C@@H](C[*:1])C(=O)N1C[C@H](O)c1ccccc1Cl
C[C@@H](CCc1ccco1)[NH2+]Cc1cncn1C1CC1 c1coc(c1)C[*:1] C[C@@H](C[*:1])[NH2+]Cc1cncn1C1CC1
C[C@@H](CCc1ccco1)[NH2+]Cc1cncn1C1CC1 C1CC1[*:1] C[C@@H](CCc1ccco1)[NH2+]Cc1cncn1[*:1]
C[C@@H](CCc1ccco1)[NH2+]Cc1cncn1C1CC1 c1coc(c1)[*:1] C[C@@H](CC[*:1])[NH2+]Cc1cncn1C1CC1
Cc1ccc(Cl)cc1NC(=O)CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 Cc1ccc(Cl)cc1[*:1] O=C(CNc1ccc(cc1)S(=O)(=O)N1CCCCC1)N[*:1]
Cc1ccc(Cl)cc1NC(=O)CNc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(Cl)cc1NC(=O)CNc1ccc(cc1)[*:1]
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1F)[N+](=O)[O-])[*:1]
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(C#N)cc1 O=[N+]([O-])[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1F)[*:1])c1ccc(C#N)cc1
CCCSc1nc2sc(-c3ccccc3)cc2c(=O)n1C CCC[*:1] Cn1c(nc2sc(cc2c1=O)-c1ccccc1)S[*:1]
CCCSc1nc2sc(-c3ccccc3)cc2c(=O)n1C c1ccc(cc1)[*:1] CCCSc1nc2sc(cc2c(=O)n1C)[*:1]
CCCSc1nc2sc(-c3ccccc3)cc2c(=O)n1C CCCS[*:1] Cn1c(nc2sc(cc2c1=O)-c1ccccc1)[*:1]
Cc1nnc(SCCC(=O)Nc2ccc(C(C)(C)C)cc2)s1 Cc1nnc(s1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)CCS[*:1]
Cc1nnc(SCCC(=O)Nc2ccc(C(C)(C)C)cc2)s1 CC(C)(C)[*:1] Cc1nnc(SCCC(=O)Nc2ccc(cc2)[*:1])s1
Cc1nnc(SCCC(=O)Nc2ccc(C(C)(C)C)cc2)s1 Cc1nnc(S[*:1])s1 CC(C)(C)c1ccc(cc1)NC(=O)CC[*:1]
O=C([O-])CSc1nnc(NC(=O)CN2CCOCC2)s1 C1CN(CCO1)[*:1] O=C([O-])CSc1nnc(NC(=O)C[*:1])s1
O=C([O-])CSc1nnc(NC(=O)CN2CCOCC2)s1 O=C([O-])C[*:1] O=C(CN1CCOCC1)Nc1nnc(S[*:1])s1
O=C([O-])CSc1nnc(NC(=O)CN2CCOCC2)s1 O=C([O-])CS[*:1] O=C(CN1CCOCC1)Nc1nnc(s1)[*:1]
O=C([O-])CSc1nnc(NC(=O)CN2CCOCC2)s1 O=C([O-])[*:1] O=C(CN1CCOCC1)Nc1nnc(SC[*:1])s1
CC(C)(C)[C@@H]([NH3+])CCN1CCOCC1 CC(C)(C)[*:1] [NH3+][C@@H](CCN1CCOCC1)[*:1]
O=C([O-])CC1CC[NH+](CC[NH+]2CCCCC2)CC1 O=C([O-])[*:1] C1CC[NH+](CC1)CC[NH+]1CCC(CC1)C[*:1]
O=C([O-])CC1CC[NH+](CC[NH+]2CCCCC2)CC1 O=C([O-])C[*:1] C1CC[NH+](CC1)CC[NH+]1CCC(CC1)[*:1]
O=C([O-])CC1CC[NH+](CC[NH+]2CCCCC2)CC1 C1CC[NH+](CC1)[*:1] O=C([O-])CC1CC[NH+](CC1)CC[*:1]
Cc1ccc(CC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cn1 Cc1ccc(cn1)[*:1] O=C(C[*:1])N1CCC(CC1)c1c[nH]c2ncccc12
Cc1ccc(CC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cn1 Cc1ccc(cn1)C[*:1] O=C(N1CCC(CC1)c1c[nH]c2ncccc12)[*:1]
C[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@@H](NC(=O)Cc1ccc2CCCCc2c1)[*:1]
CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(SC#N)cc1 N#CS[*:1] CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(SC#N)cc1 Cc1cc(C)cc(c1)[*:1] CC[C@@H](O[*:1])C(=O)Nc1ccc(cc1)SC#N
CN(CC1CCN(C(=O)/C=C/c2ccco2)CC1)C(=O)OC(C)(C)C c1coc(c1)[*:1] CN(CC1CCN(CC1)C(=O)C=C[*:1])C(=O)OC(C)(C)C
CN(CC1CCN(C(=O)/C=C/c2ccco2)CC1)C(=O)OC(C)(C)C C(=C[*:1])c1ccco1 CN(CC1CCN(CC1)C(=O)[*:1])C(=O)OC(C)(C)C
CN(CC1CCN(C(=O)/C=C/c2ccco2)CC1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(CC1CCN(CC1)C(=O)/C=C/c1ccco1)C(=O)O[*:1]
CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C1=O Clc1ccccc1[*:1] CC1(C)CS(=O)(=O)N(C1=O)c1ccc(cc1)S(=O)(=O)N[*:1]
C#CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(OCCC)cc1 CCC[*:1] C#CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(cc1)O[*:1]
C#CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(OCCC)cc1 CCCO[*:1] C#CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(cc1)[*:1]
C#CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(OCCC)cc1 C#CC[*:1] CCCOc1ccc(cc1)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)S[*:1]
CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C)[*:1]
CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C)c1ccccc1 Clc1ccccc1[*:1] CCN(C(=O)[C@@H](C)Sc1nnc(n1C)[*:1])c1ccccc1
Cc1ccc([C@H](CCC(F)(F)F)C(=O)[O-])cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)[C@H](C[*:1])C(=O)[O-]
Cc1ccc([C@H](CCC(F)(F)F)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)[C@H](CCC(F)(F)F)[*:1]
Cc1ccc([C@H](CCC(F)(F)F)C(=O)[O-])cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@H](CC[*:1])C(=O)[O-]
CCOc1ncccc1CNC(=O)C/C=C/c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOc1ncccc1CNC(=O)CC=C[*:1]
CCOc1ncccc1CNC(=O)C/C=C/c1ccc(F)cc1 CCO[*:1] O=C(C/C=C/c1ccc(F)cc1)NCc1cccnc1[*:1]
COc1ccccc1NC(=S)NNC(=O)Cc1c(Cl)cccc1Cl COc1ccccc1[*:1] O=C(Cc1c(Cl)cccc1Cl)NNC(=S)N[*:1]
COc1ccccc1NC(=S)NNC(=O)Cc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] COc1ccccc1NC(=S)NNC(=O)C[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)CS[C@H](C)[C@H](C)O C[C@H](O)[*:1] Cc1cc(ccc1NC(=O)CS[C@H](C)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)CS[C@H](C)[C@H](C)O O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)CS[C@H](C)[C@H](C)O)[*:1]
CCc1cc([O-])nc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1 c1ccc(cc1)[*:1] CCc1cc([O-])nc(n1)-n1nc(C)cc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ncc(CNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)s1 Cc1ncc(s1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NC[*:1]
Cc1ccc2nc(COC(=O)[C@@H](C)CC3CCCC3)cc(=O)n2c1 C1CCC(C1)C[*:1] Cc1ccc2nc(cc(=O)n2c1)COC(=O)[C@@H](C)[*:1]
Cc1ccc2nc(COC(=O)[C@@H](C)CC3CCCC3)cc(=O)n2c1 C[C@@H](CC1CCCC1)[*:1] Cc1ccc2nc(cc(=O)n2c1)COC(=O)[*:1]
Cc1ccc2nc(COC(=O)[C@@H](C)CC3CCCC3)cc(=O)n2c1 C1CCC(C1)[*:1] Cc1ccc2nc(cc(=O)n2c1)COC(=O)[C@@H](C)C[*:1]
S=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 Clc1ccc(cc1Cl)[*:1] S=C(Nc1ccc2OCOc2c1)N1CCN(CC1)[*:1]
O=C(CSc1ccc2ccccc2n1)NNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CSc1ccc2ccccc2n1)NNC(=O)c1cccc(c1)[*:1]
O=C(CSc1ccc2ccccc2n1)NNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(CSc1ccc2ccccc2n1)NNC(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2F)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cc1F)c1ccccc1NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2F)cc1 Fc1cc(Br)ccc1[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)N[*:1]
C=CCOc1cccc([C@@H]2SCC(O)=Nc3n[nH]cc32)c1 C=CCO[*:1] OC1CS[C@@H](c2cccc(c2)[*:1])c2c[nH]nc2N=1
C=CCOc1cccc([C@@H]2SCC(O)=Nc3n[nH]cc32)c1 C=CC[*:1] OC1CS[C@@H](c2cccc(c2)O[*:1])c2c[nH]nc2N=1
C=CCOc1cccc(NC(=O)Nc2ccccc2OC)c1 C=CCO[*:1] COc1ccccc1NC(=O)Nc1cccc(c1)[*:1]
C=CCOc1cccc(NC(=O)Nc2ccccc2OC)c1 C=CC[*:1] COc1ccccc1NC(=O)Nc1cccc(c1)O[*:1]
O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)N[*:1]
C[C@@H](CO)CS[C@@H]1CC[C@H]([NH3+])C1 C[C@@H](CO)[*:1] [NH3+][C@H]1CC[C@H](C1)SC[*:1]
Cc1ccc(OCC(=O)NN=Cc2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)OCC(=O)NN=C[*:1]
COc1c(F)ccc(C#N)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1c(F)ccc(C#N)c1[*:1]
CC1=C(C)C(=O)N(C[C@H](CC(C)C)C(=O)[O-])C1=O CC(C)[*:1] CC1C(=O)N(C[C@H](C[*:1])C(=O)[O-])C(=O)C=1C
CC1=C(C)C(=O)N(C[C@H](CC(C)C)C(=O)[O-])C1=O CC(C)C[*:1] CC1C(=O)N(C[C@H](C(=O)[O-])[*:1])C(=O)C=1C
CC1=C(C)C(=O)N(C[C@H](CC(C)C)C(=O)[O-])C1=O O=C([O-])[*:1] CC1C(=O)N(C[C@H](CC(C)C)[*:1])C(=O)C=1C
Cc1nc(C)n(-c2ccccc2NC(=O)N[C@@H]2c3ccccc3C[C@@H]2C)n1 Cc1nc(C)n(n1)[*:1] C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccccc1[*:1]
CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NC(C)C)c3ccccc3C(=O)N1CC2 CCO[*:1] CCOc1cc2c(cc1[*:1])CCN1C(=O)c3ccccc3[C@@H](C(=O)NC(C)C)[C@@H]21
CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NC(C)C)c3ccccc3C(=O)N1CC2 CC(C)NC(=O)[*:1] CCOc1cc2CCN3C(=O)c4ccccc4[C@@H]([C@H]3c2cc1OCC)[*:1]
CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NC(C)C)c3ccccc3C(=O)N1CC2 CC(C)[*:1] CCOc1cc2CCN3C(=O)c4ccccc4[C@@H](C(=O)N[*:1])[C@H]3c2cc1OCC
CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NC(C)C)c3ccccc3C(=O)N1CC2 CCO[*:1] CCOc1cc2CCN3C(=O)c4ccccc4[C@@H](C(=O)NC(C)C)[C@H]3c2cc1[*:1]
Cc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CCC[C@H]2CCC[C@@H]21
Cc1ccsc1CN(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O Cc1ccsc1C[*:1] CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[*:1]
Cc1ccsc1CN(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O Cc1ccsc1[*:1] CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C[*:1]
C[C@H]1Cc2ccc(F)cc2NC(=O)[C@H]1NC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1Cc2ccc(F)cc2NC(=O)[C@H]1NC(=O)O[*:1]
O=C(CCn1nnc2ccccc2c1=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(CCn1nnc2ccccc2c1=O)N1CCOC[C@@H]1[*:1]
CN(C(=O)c1ccccc1-c1cncnc1)[C@@H]1CCc2ccccc2C1 c1ncc(cn1)[*:1] CN(C(=O)c1ccccc1[*:1])[C@@H]1CCc2ccccc2C1
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2csc(C(C)C)n2)cc1 Cc1ccc(cc1)C[*:1] CC(C)c1nc(cs1)CNC(=O)[C@@H]1CCC(=O)N1[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2csc(C(C)C)n2)cc1 CC(C)c1nc(cs1)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)NC[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2csc(C(C)C)n2)cc1 CC(C)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)NCc1csc(n1)[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2csc(C(C)C)n2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1nc(cs1)CNC(=O)[C@@H]1CCC(=O)N1C[*:1]
CC[C@H]1CCN(c2cc(C(F)(F)F)ccc2C)CCC[NH2+]1 FC(F)(F)[*:1] CC[C@H]1CCN(CCC[NH2+]1)c1cc(ccc1C)[*:1]
Cc1oc(-c2ccn[nH]2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 c1cc([nH]n1)[*:1] Cc1oc(cc1S(=O)(=O)[N-]c1ccc2OCCOc2c1)[*:1]
N#CCc1ccc(NC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 c1ccc(cc1)[*:1] N#CCc1ccc(cc1)NC(=O)NCc1ccnc(c1)OC[*:1]
N#CCc1ccc(NC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 N#CCc1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)OCc1ccccc1)N[*:1]
N#CCc1ccc(NC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 c1ccc(cc1)CO[*:1] N#CCc1ccc(cc1)NC(=O)NCc1ccnc(c1)[*:1]
N#CCc1ccc(NC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 c1ccc(cc1)C[*:1] N#CCc1ccc(cc1)NC(=O)NCc1ccnc(c1)O[*:1]
N#CCc1ccc(NC(=O)NCc2ccnc(OCc3ccccc3)c2)cc1 N#CC[*:1] O=C(NCc1ccnc(c1)OCc1ccccc1)Nc1ccc(cc1)[*:1]
CN(CC(=O)Nc1ccccc1Br)c1ccc(F)c(F)c1 Brc1ccccc1[*:1] CN(CC(=O)N[*:1])c1ccc(F)c(F)c1
CCS(=O)(=O)NCCc1n[nH]c(Cc2ccc(C)cc2)n1 CCS(=O)(=O)NC[*:1] Cc1ccc(cc1)Cc1nc(C[*:1])n[nH]1
CCS(=O)(=O)NCCc1n[nH]c(Cc2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCS(=O)(=O)NCCc1n[nH]c(C[*:1])n1
CCS(=O)(=O)NCCc1n[nH]c(Cc2ccc(C)cc2)n1 CCS(=O)(=O)N[*:1] Cc1ccc(cc1)Cc1nc(CC[*:1])n[nH]1
Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 Cc1ccccc1O[*:1] O=C(C[*:1])Nc1ccc(Cl)c(c1)C(=O)NC1CC1
Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(c1)[*:1]
Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 Cc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc(Cl)c(c1)C(=O)NC1CC1
Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 C1CC1[*:1] Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(c1)C(=O)N[*:1]
Cc1cc2c(=O)n(CC(=O)Nc3ccccc3F)cnc2s1 Fc1ccccc1[*:1] Cc1cc2c(=O)n(cnc2s1)CC(=O)N[*:1]
COc1ccc2c(CC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)cc(=O)oc2c1 Fc1cccc(c1)[*:1] COc1ccc2c(cc(=O)oc2c1)CC(=O)NC[C@@H]([NH+](C)C)[*:1]
C[C@H](C(=O)[O-])c1ccc2ncccc2c1 C[C@H](C(=O)[O-])[*:1] c1cnc2ccc(cc2c1)[*:1]
C[C@H](C(=O)[O-])c1ccc2ncccc2c1 O=C([O-])[*:1] C[C@H](c1ccc2ncccc2c1)[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCCN1C(=O)Nc1ccccc1
N#CCCCNC(=O)[C@H]1CCCCC[C@H]1[NH3+] N#CCC[*:1] [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[*:1]
N#CCCCNC(=O)[C@H]1CCCCC[C@H]1[NH3+] N#CC[*:1] [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCC[*:1]
N#CCCCNC(=O)[C@H]1CCCCC[C@H]1[NH3+] N#CCCC[*:1] [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[*:1]
CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)o1 CC(C)(C)OC(=O)N[*:1] O=C(c1ccc(C[*:1])o1)N1CCC[C@@H]2CCCC[C@H]21
CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)o1 CC(C)(C)[*:1] O=C(NCc1ccc(o1)C(=O)N1CCC[C@@H]2CCCC[C@H]21)O[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(I)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)Nc1ccc(I)cc1)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)N[*:1])[N+](=O)[O-]
CC/C(=C/C(=O)Nc1ccc(CS(C)(=O)=O)cc1)c1ccccc1 CS(=O)(=O)C[*:1] CC/C(=C/C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CC/C(=C/C(=O)Nc1ccc(CS(C)(=O)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCC(=CC(=O)Nc1ccc(cc1)CS(C)(=O)=O)[*:1]
CC/C(=C/C(=O)Nc1ccc(CS(C)(=O)=O)cc1)c1ccccc1 CS(=O)(=O)[*:1] CC/C(=C/C(=O)Nc1ccc(cc1)C[*:1])c1ccccc1
CC(C)(C)n1cc(NC[C@H]2CC=CCC2)cn1 CC(C)(C)[*:1] C1=CC[C@@H](CC1)CNc1cnn(c1)[*:1]
COC(=O)c1ccccc1N(C)C(=O)C[NH+](C)Cc1cccc(C#N)c1 COC(=O)[*:1] CN(C(=O)C[NH+](C)Cc1cccc(C#N)c1)c1ccccc1[*:1]
COC(=O)c1ccccc1N(C)C(=O)C[NH+](C)Cc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] COC(=O)c1ccccc1N(C)C(=O)C[NH+](C)C[*:1]
CC[C@@H](C)CO[C@@H]1CCC[NH2+][C@@H]1C CC[C@@H](C)[*:1] C[C@H]1[NH2+]CCC[C@H]1OC[*:1]
COc1ccc2[nH]cc(CCn3c(NC(=O)c4cccs4)nc4ccccc4c3=O)c2c1 c1csc(c1)[*:1] COc1ccc2[nH]cc(CCn3c(nc4ccccc4c3=O)NC(=O)[*:1])c2c1
COc1ccc2[nH]cc(CCn3c(NC(=O)c4cccs4)nc4ccccc4c3=O)c2c1 O=C(N[*:1])c1cccs1 COc1ccc2[nH]cc(CCn3c(nc4ccccc4c3=O)[*:1])c2c1
Cc1nc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)no1 Cc1nc(no1)[*:1] C[C@@H](NC(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)C)[*:1]
Cc1nc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)no1 CN(C)S(=O)(=O)[*:1] Cc1nc(no1)[C@@H](C)NC(=O)c1cc(ccc1Cl)[*:1]
Cc1ccc(Cn2c(C)c(C[NH2+]Cc3ccco3)c(C(=O)[O-])c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(C[NH2+]Cc2ccco2)c(C(=O)[O-])c(C)n1C[*:1]
Cc1ccc(Cn2c(C)c(C[NH2+]Cc3ccco3)c(C(=O)[O-])c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1c(C[NH2+]Cc2ccco2)c(C(=O)[O-])c(C)n1[*:1]
Cc1ccc(Cn2c(C)c(C[NH2+]Cc3ccco3)c(C(=O)[O-])c2C)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)Cn1c(C)c(C[NH2+][*:1])c(C(=O)[O-])c1C
Cc1ccc(Cn2c(C)c(C[NH2+]Cc3ccco3)c(C(=O)[O-])c2C)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)Cn1c(C)c(C[NH2+]C[*:1])c(C(=O)[O-])c1C
Cc1ccc(Cn2c(C)c(C[NH2+]Cc3ccco3)c(C(=O)[O-])c2C)cc1 O=C([O-])[*:1] Cc1ccc(cc1)Cn1c(C)c(C[NH2+]Cc2ccco2)c(c1C)[*:1]
COc1ccc2c(c1)[C@@]([NH3+])(Cc1nccs1)CCC2 c1csc(n1)[*:1] COc1ccc2CCC[C@]([NH3+])(C[*:1])c2c1
COc1ccc2c(c1)[C@@]([NH3+])(Cc1nccs1)CCC2 c1csc(C[*:1])n1 COc1ccc2CCC[C@]([NH3+])(c2c1)[*:1]
CC(=O)NCc1ccc(C(=O)Nc2cnc3ccccc3n2)cc1 CC(=O)N[*:1] O=C(Nc1cnc2ccccc2n1)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(C(=O)Nc2cnc3ccccc3n2)cc1 CC(=O)NC[*:1] O=C(Nc1cnc2ccccc2n1)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
COc1ccc(NC(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)N[*:1]
CC(C)C(=O)NCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 CC(C)C(=O)N[*:1] O=C(NCC[*:1])c1cc(nc2ccc(F)cc12)C1CC1
CC(C)C(=O)NCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 C1CC1[*:1] CC(C)C(=O)NCCNC(=O)c1cc(nc2ccc(F)cc12)[*:1]
CC(C)C(=O)NCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 CC(C)C(=O)NCC[*:1] O=C(N[*:1])c1cc(nc2ccc(F)cc12)C1CC1
CC(C)C(=O)NCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 CC(C)[*:1] O=C(NCCNC(=O)[*:1])c1cc(nc2ccc(F)cc12)C1CC1
CC(C)C(=O)NCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 CC(C)C(=O)NC[*:1] O=C(NC[*:1])c1cc(nc2ccc(F)cc12)C1CC1
COc1ccc(-c2csc3ncnc(NCCc4cccnc4)c23)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)-c1csc2ncnc(NC[*:1])c12
COc1ccc(-c2csc3ncnc(NCCc4cccnc4)c23)cc1 COc1ccc(cc1)[*:1] c1cncc(c1)CCNc1ncnc2scc(c12)[*:1]
COc1ccc(-c2csc3ncnc(NCCc4cccnc4)c23)cc1 c1cncc(c1)CC[*:1] COc1ccc(cc1)-c1csc2ncnc(N[*:1])c12
COc1ccc(-c2csc3ncnc(NCCc4cccnc4)c23)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)-c1csc2ncnc(NCC[*:1])c12
CCN(CCN1C(=O)NC2(CC[NH2+]CC2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(CCN1C(=O)NC2(CC[NH2+]CC2)C1=O)[*:1]
CC(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1 c1coc(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)CCNC(=O)[*:1]
CC(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1 CC(=O)[*:1] O=C(CCNC(=O)c1ccco1)Nc1cccc(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1Nc1ccc2nnc(C)n2n1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1Nc1ccc2nnc(C)n2n1)[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)N1CCCCCC1 NC(=O)[*:1] Cc1ccc(cc1NC(=O)N1CCCCCC1)[*:1]
O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)c1 O=C([O-])[*:1] O=S(=O)(NC[C@@H]1COc2ccccc2O1)c1cccc(c1)[*:1]
CC(C)n1cnnc1C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 CC(C)n1cnnc1[*:1] C[C@@H]([NH2+]C[*:1])c1ccc2NC(=O)C(C)(C)c2c1
CC(C)n1cnnc1C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 CC(C)[*:1] C[C@@H]([NH2+]Cc1nncn1[*:1])c1ccc2NC(=O)C(C)(C)c2c1
COc1ccc(NS(=O)(=O)c2c(C(=O)N3CCC(C)CC3)c(C)n(C)c2C)cc1 CC1CCN(CC1)C(=O)[*:1] COc1ccc(cc1)NS(=O)(=O)c1c(c(C)n(C)c1C)[*:1]
COc1ccc(NS(=O)(=O)c2c(C(=O)N3CCC(C)CC3)c(C)n(C)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(C(=O)N2CCC(C)CC2)c(c(C)n1C)S(=O)(=O)N[*:1]
CSCC[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12 CSCC[*:1] O=C(N[C@@H](C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12)[*:1])c1ccc2OCOc2c1
CSCC[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12 CSC[*:1] O=C(N[C@H](C[*:1])C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12)c1ccc2OCOc2c1
CSCC[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12 c1cc2OCOc2cc1[*:1] CSCC[C@@H](NC(=O)[*:1])C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12
Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1-c1cccs1 c1csc(c1)[*:1] Cn1nc(cc1[*:1])CNC(=O)c1cc(=O)c2ccccc2o1
NC(=O)Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 NC(=O)[*:1] O=C(Nc1ccccc1C[*:1])[C@@H]1C[C@H]1c1cccc2ccccc12
NC(=O)Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 NC(=O)C[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1C[C@H]1c1cccc2ccccc12
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCS[C@H]1c1ccccc1F c1ccc(cc1)C[*:1] O=C(CSc1nnc(-c2cccnc2)n1[*:1])N1CCS[C@H]1c1ccccc1F
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCS[C@H]1c1ccccc1F c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2cccnc2)n1C[*:1])N1CCS[C@H]1c1ccccc1F
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCS[C@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCS[C@@H]1[*:1]
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCS[C@H]1c1ccccc1F c1cncc(c1)[*:1] O=C(CSc1nnc(n1Cc1ccccc1)[*:1])N1CCS[C@H]1c1ccccc1F
Cc1c(C(=O)N(Cc2ccncc2)Cc2cccnc2)oc2ccccc12 c1cc(ccn1)C[*:1] Cc1c(oc2ccccc12)C(=O)N(Cc1cccnc1)[*:1]
Cc1c(C(=O)N(Cc2ccncc2)Cc2cccnc2)oc2ccccc12 c1cncc(c1)[*:1] Cc1c(oc2ccccc12)C(=O)N(Cc1ccncc1)C[*:1]
Cc1c(C(=O)N(Cc2ccncc2)Cc2cccnc2)oc2ccccc12 c1cncc(c1)C[*:1] Cc1c(oc2ccccc12)C(=O)N(Cc1ccncc1)[*:1]
Cc1c(C(=O)N(Cc2ccncc2)Cc2cccnc2)oc2ccccc12 c1cc(ccn1)[*:1] Cc1c(oc2ccccc12)C(=O)N(Cc1cccnc1)C[*:1]
CCCn1c([C@@](C)([NH3+])CC)nc2cc(Cl)ccc21 CCC[*:1] CC[C@](C)([NH3+])c1nc2cc(Cl)ccc2n1[*:1]
COc1ccc([C@H](CNCc2ccccc2Cl)N2CCOCC2)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)[C@H](CN[*:1])N1CCOCC1
COc1ccc([C@H](CNCc2ccccc2Cl)N2CCOCC2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)[C@H](CNC[*:1])N1CCOCC1
COc1ccc([C@H](CNCc2ccccc2Cl)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNCc1ccccc1Cl)[*:1]
COc1ccc([C@H](CNCc2ccccc2Cl)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] Clc1ccccc1CNC[C@H](N1CCOCC1)[*:1]
O=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1)c1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] O=C1C[C@@H](CN1c1ccc(Cl)cc1)c1nnc(NC(=O)[*:1])s1
O=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1)c1c(Cl)cccc1Cl Clc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1])c1c(Cl)cccc1Cl
CC(C)(C)C[C@H](O)[C@]1(C#N)COc2ccccc2C1 CC(C)(C)C[*:1] N#C[C@]1(COc2ccccc2C1)[C@@H](O)[*:1]
CC(C)(C)C[C@H](O)[C@]1(C#N)COc2ccccc2C1 CC(C)(C)[*:1] N#C[C@]1(COc2ccccc2C1)[C@@H](O)C[*:1]
COc1cc(-c2nc(C(=O)NC(C)C)cs2)ccc1OCc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] COc1cc(ccc1OC[*:1])-c1nc(cs1)C(=O)NC(C)C
COc1cc(-c2nc(C(=O)NC(C)C)cs2)ccc1OCc1c(F)cccc1Cl Fc1cccc(Cl)c1C[*:1] COc1cc(ccc1O[*:1])-c1nc(cs1)C(=O)NC(C)C
COc1cc(-c2nc(C(=O)NC(C)C)cs2)ccc1OCc1c(F)cccc1Cl CC(C)NC(=O)[*:1] COc1cc(ccc1OCc1c(F)cccc1Cl)-c1nc(cs1)[*:1]
COc1cc(-c2nc(C(=O)NC(C)C)cs2)ccc1OCc1c(F)cccc1Cl CC(C)[*:1] COc1cc(ccc1OCc1c(F)cccc1Cl)-c1nc(cs1)C(=O)N[*:1]
O=C(NCCc1ccc(F)cc1)Nc1ccc(F)cc1Cl Fc1ccc(cc1)[*:1] O=C(NCC[*:1])Nc1ccc(F)cc1Cl
O=C(c1ccccn1)N1CCC(CNS(=O)(=O)c2cccs2)CC1 c1ccc(nc1)[*:1] O=C(N1CCC(CC1)CNS(=O)(=O)c1cccs1)[*:1]
O=C(c1ccccn1)N1CCC(CNS(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1ccccn1)N1CCC(CC1)CNS(=O)(=O)[*:1]
CS(=O)(=O)[N-]c1cccc(NC(=O)C2(c3cc(-c4ccccc4)on3)CC2)c1 c1ccc(cc1)[*:1] CS(=O)(=O)[N-]c1cccc(c1)NC(=O)C1(CC1)c1cc(on1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccc1F)C1CC1 Fc1ccccc1[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C[*:1])C1CC1
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccc1F)C1CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)N(Cc1ccccc1F)C1CC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccc1F)C1CC1 C1CC1[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccc1F)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccccc1F)C1CC1 Fc1ccccc1C[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C1CC1)[*:1]
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)Cc2c[nH]c[nH+]2)c1 CC(C)[*:1] O=C(Cc1c[nH]c[nH+]1)Nc1cc(ccc1Cl)C(=O)O[*:1]
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)Cc2c[nH]c[nH+]2)c1 CC(C)OC(=O)[*:1] O=C(Cc1c[nH]c[nH+]1)Nc1cc(ccc1Cl)[*:1]
C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1C(F)(F)F FC(F)(F)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1ccccc1C#N
C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1C(F)(F)F N#Cc1ccccc1[*:1] C=CCn1c(nnc1C(F)(F)F)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1C(F)(F)F C=CC[*:1] N#Cc1ccccc1NC(=O)CSc1nnc(n1[*:1])C(F)(F)F
Cc1ccc(CNC(=O)C[NH+]2CCC(c3nnc(-c4ccco4)s3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)c1nnc(s1)-c1ccco1)NC[*:1]
Cc1ccc(CNC(=O)C[NH+]2CCC(c3nnc(-c4ccco4)s3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(C[NH+]1CCC(CC1)c1nnc(s1)-c1ccco1)N[*:1]
Cc1ccc(CNC(=O)C[NH+]2CCC(c3nnc(-c4ccco4)s3)CC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CNC(=O)C[NH+]1CCC(CC1)c1nnc(s1)[*:1]
O=C1O[C@@H]2[C@H]3C[C@H]([C@H](C(=O)[O-])[C@@H]13)[C@H]2Sc1ccccc1 O=C([O-])[*:1] O=C1O[C@@H]2[C@H]3C[C@@H]([C@H]2Sc2ccccc2)[C@H]([C@@H]13)[*:1]
O=C1O[C@@H]2[C@H]3C[C@H]([C@H](C(=O)[O-])[C@@H]13)[C@H]2Sc1ccccc1 c1ccc(cc1)[*:1] O=C1O[C@@H]2[C@H]3C[C@H]([C@H](C(=O)[O-])[C@@H]13)[C@H]2S[*:1]
COC(=O)C1(N(C)C(=O)c2cc(Cl)ccc2F)CCCCC1 COC(=O)[*:1] CN(C(=O)c1cc(Cl)ccc1F)C1(CCCCC1)[*:1]
COCCN1C[C@@H](c2ncc(-c3ccc4c(c3)OCCO4)[nH]2)CC1=O COC[*:1] O=C1C[C@@H](CN1C[*:1])c1ncc([nH]1)-c1ccc2OCCOc2c1
COCCN1C[C@@H](c2ncc(-c3ccc4c(c3)OCCO4)[nH]2)CC1=O COCC[*:1] O=C1C[C@@H](CN1[*:1])c1ncc([nH]1)-c1ccc2OCCOc2c1
COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccccc4C(C)C)n3C)oc12 CC(C)[*:1] COc1cccc2cc(oc12)-c1nnc(SCC(=O)Nc2ccccc2[*:1])n1C
COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccccc4C(C)C)n3C)oc12 CC(C)c1ccccc1[*:1] COc1cccc2cc(oc12)-c1nnc(SCC(=O)N[*:1])n1C
CCc1noc([C@H](C)[S@@](=O)Cc2ccc(C(C)C)cc2)n1 CC(C)[*:1] CCc1noc(n1)[C@H](C)[S@@](=O)Cc1ccc(cc1)[*:1]
CCc1noc([C@H](C)[S@@](=O)Cc2ccc(C(C)C)cc2)n1 CCc1noc(n1)[*:1] CC(C)c1ccc(cc1)C[S@](=O)[C@@H](C)[*:1]
COc1ccc(-c2noc(CN3CCN(CC(F)(F)F)CC3)n2)cc1 FC(F)(F)C[*:1] COc1ccc(cc1)-c1noc(CN2CCN(CC2)[*:1])n1
COc1ccc(-c2noc(CN3CCN(CC(F)(F)F)CC3)n2)cc1 COc1ccc(cc1)[*:1] FC(F)(F)CN1CCN(CC1)Cc1nc(no1)[*:1]
COc1ccc(-c2noc(CN3CCN(CC(F)(F)F)CC3)n2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1noc(CN2CCN(CC2)C[*:1])n1
COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1ccccc1OC COc1ccccc1[*:1] COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[*:1]
COc1ccc(-c2cc(=O)oc3c(C)c(OCC(C)=O)ccc23)cc1 CC(=O)C[*:1] COc1ccc(cc1)-c1cc(=O)oc2c(C)c(ccc12)O[*:1]
COc1ccc(-c2cc(=O)oc3c(C)c(OCC(C)=O)ccc23)cc1 CC(=O)[*:1] COc1ccc(cc1)-c1cc(=O)oc2c(C)c(ccc12)OC[*:1]
COc1ccc(-c2cc(=O)oc3c(C)c(OCC(C)=O)ccc23)cc1 COc1ccc(cc1)[*:1] CC(=O)COc1ccc2c(cc(=O)oc2c1C)[*:1]
COc1ccc(-c2cc(=O)oc3c(C)c(OCC(C)=O)ccc23)cc1 CC(=O)CO[*:1] COc1ccc(cc1)-c1cc(=O)oc2c(C)c(ccc12)[*:1]
CC[C@H](COC)Nc1nc(C(F)(F)F)ccc1C(N)=S NC(=S)[*:1] CC[C@H](COC)Nc1nc(ccc1[*:1])C(F)(F)F
CC[C@H](COC)Nc1nc(C(F)(F)F)ccc1C(N)=S CC[C@H](COC)[*:1] NC(=S)c1ccc(nc1N[*:1])C(F)(F)F
CC[C@H](COC)Nc1nc(C(F)(F)F)ccc1C(N)=S FC(F)(F)[*:1] CC[C@H](COC)Nc1nc(ccc1C(N)=S)[*:1]
CC[C@H](COC)Nc1nc(C(F)(F)F)ccc1C(N)=S COC[*:1] CC[C@H](Nc1nc(ccc1C(N)=S)C(F)(F)F)[*:1]
COCCNC(=O)N1CCC(c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 Cc1ccc(cc1)[*:1] COCCNC(=O)N1CCC(CC1)c1nnc(s1)C(=O)N[*:1]
COCCNC(=O)N1CCC(c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 COC[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)C1CCN(CC1)C(=O)NC[*:1]
COCCNC(=O)N1CCC(c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 COCC[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)C1CCN(CC1)C(=O)N[*:1]
Cc1ccc(/C=C/C(=O)N[C@H](C)c2nc(C)cs2)c(C)c1 Cc1csc(n1)[*:1] Cc1ccc(/C=C/C(=O)N[C@H](C)[*:1])c(C)c1
COc1ccc(S(=O)(=O)Nc2ccccc2-n2cccn2)cc1 c1cnn(c1)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccccc1[*:1]
CCn1cc[nH+]c1-c1cccc(NC(=O)NCc2cc(F)cc(OC)c2)c1 COc1cc(F)cc(c1)[*:1] CCn1cc[nH+]c1-c1cccc(c1)NC(=O)NC[*:1]
Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 CC(C)[*:1] Cc1ccccc1CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 Cc1ccccc1[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
C[NH+](CCN1CCOCC1)Cc1cccc(C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] C[NH+](CCN1CCOCC1)Cc1cccc(c1)C(=O)N[*:1]
C[NH+](CCN1CCOCC1)Cc1cccc(C(=O)Nc2ccccc2)c1 C1CN(CCO1)[*:1] C[NH+](CC[*:1])Cc1cccc(c1)C(=O)Nc1ccccc1
C[NH+](CCN1CCOCC1)Cc1cccc(C(=O)Nc2ccccc2)c1 C1CN(CCO1)C[*:1] C[NH+](Cc1cccc(c1)C(=O)Nc1ccccc1)C[*:1]
COC(=O)c1ccc(/C=N/OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1 COC(=O)[*:1] C[C@@H]1CCC[C@H](NC(=O)CO/N=C/c2ccc(cc2)[*:1])[C@@H]1C
C/C(=N\c1ccc(C)cc1)[C@H](C)[N+](=O)[O-] O=[N+]([O-])[*:1] C/C(=N\c1ccc(C)cc1)[C@H](C)[*:1]
[NH3+]C1(Cc2nc(CCC(F)(F)F)no2)CCCCC1 FC(F)(F)CC[*:1] [NH3+]C1(CCCCC1)Cc1nc(no1)[*:1]
[NH3+]C1(Cc2nc(CCC(F)(F)F)no2)CCCCC1 FC(F)(F)C[*:1] [NH3+]C1(CCCCC1)Cc1nc(C[*:1])no1
[NH3+]C1(Cc2nc(CCC(F)(F)F)no2)CCCCC1 FC(F)(F)[*:1] [NH3+]C1(CCCCC1)Cc1nc(CC[*:1])no1
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)c1 c1cncc(c1)[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1F
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)c1 c1cncc(c1)C[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1F)[*:1]
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)c1 Cc1ccc(C)c(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2F)N1Cc1cccnc1
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1[*:1]
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)c1 Cc1ccc(C)c(c1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2ccccc2F)N1Cc1cccnc1)[*:1]
Cc1cc(C)cc(OCn2ccc(-c3nc4c5cnn(C)c5ncn4n3)n2)c1 Cc1cc(C)cc(c1)O[*:1] Cn1ncc2c1ncn1nc(nc21)-c1ccn(C[*:1])n1
Cc1cc(C)cc(OCn2ccc(-c3nc4c5cnn(C)c5ncn4n3)n2)c1 Cc1cc(C)cc(c1)[*:1] Cn1ncc2c1ncn1nc(nc21)-c1ccn(CO[*:1])n1
C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 O=[N+]([O-])[*:1] C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[*:1])[C@H](C)C1
Cc1nc(COc2ccc(C(=O)N[C@@H](C)C3CC3)cc2)no1 Cc1nc(no1)[*:1] C[C@H](NC(=O)c1ccc(cc1)OC[*:1])C1CC1
Cc1nc(COc2ccc(C(=O)N[C@@H](C)C3CC3)cc2)no1 Cc1nc(C[*:1])no1 C[C@H](NC(=O)c1ccc(cc1)O[*:1])C1CC1
Cc1nc(COc2ccc(C(=O)N[C@@H](C)C3CC3)cc2)no1 C[C@@H](C1CC1)[*:1] Cc1nc(COc2ccc(cc2)C(=O)N[*:1])no1
Cc1nc(COc2ccc(C(=O)N[C@@H](C)C3CC3)cc2)no1 C1CC1[*:1] Cc1nc(COc2ccc(cc2)C(=O)N[C@@H](C)[*:1])no1
CSCC[C@@H](C)NC(=O)c1cccc(-c2ccoc2)c1 CSCC[C@@H](C)[*:1] O=C(N[*:1])c1cccc(c1)-c1ccoc1
CSCC[C@@H](C)NC(=O)c1cccc(-c2ccoc2)c1 CSC[*:1] C[C@H](C[*:1])NC(=O)c1cccc(c1)-c1ccoc1
CSCC[C@@H](C)NC(=O)c1cccc(-c2ccoc2)c1 CSCC[*:1] C[C@@H](NC(=O)c1cccc(c1)-c1ccoc1)[*:1]
CSCC[C@@H](C)NC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] CSCC[C@@H](C)NC(=O)c1cccc(c1)[*:1]
COc1cccc(C(=O)OCC#CCSc2nc3ccccc3c(=O)n2C)c1 COc1cccc(c1)[*:1] Cn1c(nc2ccccc2c1=O)SCC#CCOC(=O)[*:1]
CC(C)Sc1ccc(C(=O)Nc2nnc(-c3ccnn3C)o2)cc1 Cn1nccc1[*:1] CC(C)Sc1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
CC(C)Sc1ccc(C(=O)Nc2nnc(-c3ccnn3C)o2)cc1 CC(C)[*:1] Cn1nccc1-c1nnc(NC(=O)c2ccc(cc2)S[*:1])o1
CC(C)Sc1ccc(C(=O)Nc2nnc(-c3ccnn3C)o2)cc1 CC(C)S[*:1] Cn1nccc1-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)CC(C)C CC(C)C[C@@H](O)C[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)CC(C)C CC[S@@](=O)[*:1] CC(C)C[C@@H](O)CNC(=O)N[C@H]1CCCC[C@H]1[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)CC(C)C CC(C)C[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)CC(C)C CC(C)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)C[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)CC(C)C CC(C)C[C@@H](O)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[*:1]
COc1cccc([C@@H]2CN(C(=O)c3c4c(nn3C)CCCC4)C[C@]23CCCCC(=O)N3)c1 Cn1nc2CCCCc2c1[*:1] COc1cccc(c1)[C@@H]1CN(C[C@]12CCCCC(=O)N2)C(=O)[*:1]
COc1cccc([C@@H]2CN(C(=O)c3c4c(nn3C)CCCC4)C[C@]23CCCCC(=O)N3)c1 COc1cccc(c1)[*:1] Cn1nc2CCCCc2c1C(=O)N1C[C@H]([C@@]2(CCCCC(=O)N2)C1)[*:1]
O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 O=C1N/[N+](=C\c2ccc(Br)cc2)[C@@H](c2ccccc2)[C@H]1[*:1]
O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccc(F)cc1 Brc1ccc(cc1)[*:1] O=C(N[C@H]1C(=O)N[N+](=C[*:1])[C@H]1c1ccccc1)c1ccc(F)cc1
O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1N/[N+](=C\c2ccc(Br)cc2)[C@@H](c2ccccc2)[C@H]1NC(=O)[*:1]
O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Br)cc2)[C@@H]1[*:1])c1ccc(F)cc1
COc1ccc([C@H](NC(=O)NCCNC(C)=O)C2CC2)cc1 CC(=O)NCC[*:1] COc1ccc(cc1)[C@H](NC(=O)N[*:1])C1CC1
COc1ccc([C@H](NC(=O)NCCNC(C)=O)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NC(=O)NCCNC(C)=O)[*:1]
COc1ccc([C@H](NC(=O)NCCNC(C)=O)C2CC2)cc1 CC(=O)NC[*:1] COc1ccc(cc1)[C@H](NC(=O)NC[*:1])C1CC1
COc1ccc([C@H](NC(=O)NCCNC(C)=O)C2CC2)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@H](NC(=O)NCC[*:1])C1CC1
O=C([O-])[C@H](C[NH+]1CCCC1)c1ccc(Br)cc1 O=C([O-])[*:1] Brc1ccc(cc1)[C@@H](C[NH+]1CCCC1)[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 Clc1cccc(c1)[*:1] CCN(C[*:1])C(=O)N[C@@H](c1ncc(C)s1)C1CC1
CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 Cc1cnc(s1)[*:1] CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C1CC1)[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 C1CC1[*:1] CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](c1ncc(C)s1)[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 Clc1cccc(c1)C[*:1] CCN(C(=O)N[C@@H](c1ncc(C)s1)C1CC1)[*:1]
CC[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1ccc(C)cc1 C[S@](=O)[*:1] CC[C@H]([NH2+]C[C@H](C)[*:1])c1ccc(C)cc1
O=C(C1=C(Nc2cccc(F)c2)c2ccccc2S1(=O)=O)N1CCOCC1 Fc1cccc(c1)[*:1] O=C(C1=C(N[*:1])c2ccccc2S1(=O)=O)N1CCOCC1
O=C(C1=C(Nc2cccc(F)c2)c2ccccc2S1(=O)=O)N1CCOCC1 Fc1cccc(c1)N[*:1] O=C(C1=C(c2ccccc2S1(=O)=O)[*:1])N1CCOCC1
O=C(C1=C(Nc2cccc(F)c2)c2ccccc2S1(=O)=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S1(=O)C(=C(Nc2cccc(F)c2)c2ccccc21)[*:1]
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCC(C)(C)C CC(C)(C)C[*:1] CCN(Cc1ccc(cc1)C(=O)N(C)C)C(=O)C[*:1]
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCC(C)(C)C CC(C)(C)[*:1] CCN(Cc1ccc(cc1)C(=O)N(C)C)C(=O)CC[*:1]
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCC(C)(C)C CC(C)(C)CC[*:1] CCN(Cc1ccc(cc1)C(=O)N(C)C)C(=O)[*:1]
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCC(C)(C)C CN(C)C(=O)[*:1] CCN(Cc1ccc(cc1)[*:1])C(=O)CCC(C)(C)C
C[NH2+]Cc1sc(N2CCC[C@H]2C(C)C)nc1C(C)C CC(C)[*:1] C[NH2+]Cc1sc(nc1C(C)C)N1CCC[C@@H]1[*:1]
C[NH2+]Cc1sc(N2CCC[C@H]2C(C)C)nc1C(C)C CC(C)[*:1] C[NH2+]Cc1sc(nc1[*:1])N1CCC[C@H]1C(C)C
Cc1ccccc1[C@@H](C#N)NC(=O)c1ccc(C=O)cc1 Cc1ccccc1[*:1] N#C[C@@H](NC(=O)c1ccc(C=O)cc1)[*:1]
C[C@@H](Nc1ncccn1)c1ccc(OCC(F)(F)F)cc1 c1cnc(nc1)N[*:1] C[C@@H](c1ccc(cc1)OCC(F)(F)F)[*:1]
C[C@@H](Nc1ncccn1)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] C[C@@H](Nc1ncccn1)c1ccc(cc1)O[*:1]
C[C@@H](Nc1ncccn1)c1ccc(OCC(F)(F)F)cc1 c1cnc(nc1)[*:1] C[C@@H](N[*:1])c1ccc(cc1)OCC(F)(F)F
C[C@@H](Nc1ncccn1)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](Nc1ncccn1)c1ccc(cc1)OC[*:1]
C[C@@H](Nc1ncccn1)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] C[C@@H](Nc1ncccn1)c1ccc(cc1)[*:1]
COC(=O)[C@@H](NC(=O)c1cc2ccccc2oc1=O)C(C)C COC(=O)[*:1] CC(C)[C@H](NC(=O)c1cc2ccccc2oc1=O)[*:1]
COC(=O)[C@@H](NC(=O)c1cc2ccccc2oc1=O)C(C)C CC(C)[*:1] COC(=O)[C@@H](NC(=O)c1cc2ccccc2oc1=O)[*:1]
Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3C#N)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccccc1C#N)n1nc(ccc1=O)[*:1]
Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3C#N)n2)cc1 N#Cc1ccccc1[*:1] Cc1ccc(cc1)-c1ccc(=O)n(n1)[C@@H](C)C(=O)N[*:1]
CCC[C@H]1CC[C@@H](C)C[C@@H]1O CCC[*:1] C[C@@H]1CC[C@@H]([C@@H](O)C1)[*:1]
CC(=O)Nc1cccc2c1C(=O)OC2 CC(=O)N[*:1] O=C1OCc2cccc(c21)[*:1]
O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)c2ccccc2F)CC1)c1ccc2c(c1)OCO2 O=C(N1CCCC1)[*:1] O=C(N[C@@H](C1CCN(CC1)C(=O)c1ccccc1F)[*:1])c1ccc2OCOc2c1
O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)c2ccccc2F)CC1)c1ccc2c(c1)OCO2 Fc1ccccc1[*:1] O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(CC1)C(=O)[*:1])c1ccc2OCOc2c1
O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)c2ccccc2F)CC1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(c1ccccc1F)N1CCC(CC1)[C@@H](NC(=O)[*:1])C(=O)N1CCCC1
O=C(/C=C/c1nnc2c3ccccc3cnn12)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(/C=C/c1nnc2c3ccccc3cnn12)NC[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc3n2CCCCC3)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)CSc2nnc3CCCCCn32)n(n1)[*:1]
COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(C)o3)ccc2C)cc1 Cc1ccc(C=C[*:1])o1 COc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)NC(=O)[*:1]
COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(C)o3)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(/C=C/C(=O)Nc2ccc(C)c(c2)S(=O)(=O)N[*:1])o1
COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(C)o3)ccc2C)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)NC(=O)C=C[*:1]
O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 C1CCN(CC1)[*:1] O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(o1)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 Clc1ccc(c(Cl)c1)[*:1] O=C(N(Cc1ccc(o1)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H](C)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1ccc(c(c1)N[C@H](C)[C@H](C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H](C)N2CCOCC2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N[C@H](C)[C@H](C)N1CCOCC1)[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)NC3(C#N)CC3)cc2)cc1 N#CC1(CC1)NC(=O)[*:1] CC(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)NC3(C#N)CC3)cc2)cc1 N#CC1(CC1)[*:1] CC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)N[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)NC3(C#N)CC3)cc2)cc1 CC(=O)[*:1] N#CC1(CC1)NC(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3cccc4cn[nH]c34)C2)c1 c1cc(c2[nH]ncc2c1)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3cccc4cn[nH]c34)C2)c1 Cc1cccc(c1)[*:1] O=C(Nc1cccc2cn[nH]c12)[C@H]1CCCN(C1)C(=O)N[*:1]
CCOC[C@@H]1CCN(C(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)C1 CCO[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)C1 CCOC[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)N1CC[C@H](C1)[*:1]
C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 C[C@H](NS(C)(=O)=O)[*:1] O=C(N[C@H]1CCN(C1)c1c(F)cccc1F)[*:1]
C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 CS(=O)(=O)N[*:1] C[C@H](C(=O)N[C@H]1CCN(C1)c1c(F)cccc1F)[*:1]
O=C1CN(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)C(=O)N1 O=C1CCCN1[*:1] O=C1CN(NC(=O)CNC(=O)c2ccc(cc2)[*:1])C(=O)N1
CCOC(=O)N1CCC[C@@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 FC(F)(F)[*:1] CCOC(=O)N1CCC[C@H](C1)C(=O)Nc1cccc(c1)C[*:1]
CCOC(=O)N1CCC[C@@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 FC(F)(F)C[*:1] CCOC(=O)N1CCC[C@H](C1)C(=O)Nc1cccc(c1)[*:1]
CS(=O)(=O)CCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 C1CC1[*:1] CS(=O)(=O)CCNC(=O)N(Cc1ccc(cc1)C(F)(F)F)[*:1]
CS(=O)(=O)CCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 FC(F)(F)[*:1] CS(=O)(=O)CCNC(=O)N(Cc1ccc(cc1)[*:1])C1CC1
CS(=O)(=O)CCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 CS(=O)(=O)C[*:1] O=C(NC[*:1])N(Cc1ccc(cc1)C(F)(F)F)C1CC1
CS(=O)(=O)CCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 CS(=O)(=O)CC[*:1] O=C(N[*:1])N(Cc1ccc(cc1)C(F)(F)F)C1CC1
CS(=O)(=O)CCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 CS(=O)(=O)[*:1] O=C(NCC[*:1])N(Cc1ccc(cc1)C(F)(F)F)C1CC1
O=C(NCCOc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1 c1ccc(cc1)O[*:1] O=C(NCC[*:1])c1ccc(Br)c(c1)[N+](=O)[O-]
O=C(NCCOc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(NCCO[*:1])c1ccc(Br)c(c1)[N+](=O)[O-]
O=C(NCCOc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCCOc1ccccc1)c1ccc(Br)c(c1)[*:1]
Cc1cc(C)c2c(CC(=O)NNC(=O)c3cccc(Cl)c3)coc2c1 Clc1cccc(c1)[*:1] Cc1cc(C)c2c(coc2c1)CC(=O)NNC(=O)[*:1]
N#Cc1c(-c2ccco2)nn(-c2cnccn2)c1N c1coc(c1)[*:1] N#Cc1c(nn(-c2cnccn2)c1N)[*:1]
N#Cc1c(-c2ccco2)nn(-c2cnccn2)c1N c1cnc(cn1)[*:1] N#Cc1c(nn(c1N)[*:1])-c1ccco1
COCc1ccccc1NC(=O)CNC(C)=O CC(=O)NC[*:1] COCc1ccccc1NC(=O)[*:1]
COCc1ccccc1NC(=O)CNC(C)=O COC[*:1] CC(=O)NCC(=O)Nc1ccccc1[*:1]
COCc1ccccc1NC(=O)CNC(C)=O CC(=O)N[*:1] COCc1ccccc1NC(=O)C[*:1]
COc1cc(-c2nc3sc4ccccc4n3c2NC(C)(C)C)cc(OC)c1O CC(C)(C)[*:1] COc1cc(cc(OC)c1O)-c1nc2sc3ccccc3n2c1N[*:1]
COc1cc(-c2nc3sc4ccccc4n3c2NC(C)(C)C)cc(OC)c1O CC(C)(C)N[*:1] COc1cc(cc(OC)c1O)-c1nc2sc3ccccc3n2c1[*:1]
CCCC[C@@H](CC)Cn1nnc(N)c1C(C)(C)C CCCC[*:1] CC[C@@H](Cn1nnc(N)c1C(C)(C)C)[*:1]
CCCC[C@@H](CC)Cn1nnc(N)c1C(C)(C)C CC(C)(C)[*:1] CCCC[C@@H](CC)Cn1nnc(N)c1[*:1]
CCCC[C@@H](CC)Cn1nnc(N)c1C(C)(C)C CCC[*:1] CC[C@@H](Cn1nnc(N)c1C(C)(C)C)C[*:1]
FC(F)Oc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ncnn21 FC(F)[*:1] c1ccc(cc1)C1C[C@H](c2ccccc2O[*:1])n2ncnc2N=1
FC(F)Oc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ncnn21 FC(F)O[*:1] c1ccc(cc1)C1C[C@H](c2ccccc2[*:1])n2ncnc2N=1
FC(F)Oc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ncnn21 c1ccc(cc1)[*:1] FC(F)Oc1ccccc1[C@H]1CC(=Nc2ncnn21)[*:1]
CCC[C@@H](NC(=O)Cc1ccccc1OC)c1nnn[n-]1 CCC[*:1] COc1ccccc1CC(=O)N[C@@H](c1nnn[n-]1)[*:1]
C[C@H](CCl)CS(=O)(=O)[N-]c1ccc(O)cc1[N+](=O)[O-] C[C@H](CCl)[*:1] O=[N+]([O-])c1cc(O)ccc1[N-]S(=O)(=O)C[*:1]
C[C@H](CCl)CS(=O)(=O)[N-]c1ccc(O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](CCl)CS(=O)(=O)[N-]c1ccc(O)cc1[*:1]
Cc1cc(=O)n(C)cc1NC(=O)C1(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] Cc1cc(=O)n(C)cc1NC(=O)C1(CC1)[*:1]
FC(F)(F)c1ccc(C[C@]2(C3CC3)CCC[NH2+]2)cc1 FC(F)(F)[*:1] c1cc(ccc1C[C@@]1(CCC[NH2+]1)C1CC1)[*:1]
FC(F)(F)c1ccc(C[C@]2(C3CC3)CCC[NH2+]2)cc1 C1CC1[*:1] FC(F)(F)c1ccc(cc1)C[C@@]1(CCC[NH2+]1)[*:1]
CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(c2ccc(-n3nc(C)cc3C)nn2)C1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)[C@H]1CCCN(C1)c1ccc(nn1)-n1nc(C)cc1C
CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(c2ccc(-n3nc(C)cc3C)nn2)C1 Cc1cc(C)n(n1)[*:1] CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(c2ccc(-n3nc(C)cc3C)nn2)C1 c1ccc(cc1)C[*:1] CCN(C(=O)[C@H]1CCCN(C1)c1ccc(nn1)-n1nc(C)cc1C)[*:1]
COc1ccc([C@H](CNC(=O)Cc2ccc(Cl)c(Cl)c2)[NH+](C)C)cc1 Clc1ccc(cc1Cl)[*:1] COc1ccc(cc1)[C@H](CNC(=O)C[*:1])[NH+](C)C
COc1ccc([C@H](CNC(=O)Cc2ccc(Cl)c(Cl)c2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)[*:1]
CCN(c1cccc(C)c1)c1ncnc(OC(C)C)c1[N+](=O)[O-] Cc1cccc(c1)[*:1] CCN(c1ncnc(OC(C)C)c1[N+](=O)[O-])[*:1]
CCN(c1cccc(C)c1)c1ncnc(OC(C)C)c1[N+](=O)[O-] CC(C)O[*:1] CCN(c1cccc(C)c1)c1ncnc(c1[N+](=O)[O-])[*:1]
CCN(c1cccc(C)c1)c1ncnc(OC(C)C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(c1cccc(C)c1)c1ncnc(OC(C)C)c1[*:1]
CCN(c1cccc(C)c1)c1ncnc(OC(C)C)c1[N+](=O)[O-] CC(C)[*:1] CCN(c1cccc(C)c1)c1ncnc(O[*:1])c1[N+](=O)[O-]
C=C(C)CN(CC)C(=O)COc1cc(C(=O)N(C)C)ccc1C C=C(C)C[*:1] CCN(C(=O)COc1cc(ccc1C)C(=O)N(C)C)[*:1]
C=C(C)CN(CC)C(=O)COc1cc(C(=O)N(C)C)ccc1C CN(C)C(=O)[*:1] C=C(C)CN(CC)C(=O)COc1cc(ccc1C)[*:1]
C=C(C)CN(CC)C(=O)COc1cc(C(=O)N(C)C)ccc1C C=C(C)[*:1] CCN(C[*:1])C(=O)COc1cc(ccc1C)C(=O)N(C)C
CC(C)(C)c1ccc(CNC(=O)NC[C@@](C)(O)CN2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(C)(C)c1ccc(cc1)CNC(=O)NC[C@@](C)(O)C[*:1]
CC(C)(C)c1ccc(CNC(=O)NC[C@@](C)(O)CN2CCOCC2)cc1 CC(C)(C)[*:1] C[C@@](O)(CNC(=O)NCc1ccc(cc1)[*:1])CN1CCOCC1
CC(C)(C)c1ccc(CNC(=O)NC[C@@](C)(O)CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CC(C)(C)c1ccc(cc1)CNC(=O)NC[C@@](C)(O)[*:1]
CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2cc(Br)ccc21 CCC[*:1] COc1ccc(cc1OC)C(=O)C[C@]1(O)C(=O)N(c2ccc(Br)cc21)[*:1]
O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccc(F)cc1Cl)N2c1ccccc1F Fc1ccc(c(Cl)c1)[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N=C(SC[*:1])N2c1ccccc1F
O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccc(F)cc1Cl)N2c1ccccc1F Fc1ccc(C[*:1])c(Cl)c1 O=S1(=O)C[C@@H]2[C@H](C1)N=C(S[*:1])N2c1ccccc1F
O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccc(F)cc1Cl)N2c1ccccc1F Fc1ccccc1[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccc(F)cc1Cl)N2[*:1]
C#CCN(CCC(=O)N(C)CCC#N)[C@H]1CCc2ccccc21 N#CC[*:1] C#CCN(CCC(=O)N(C)C[*:1])[C@H]1CCc2ccccc21
C#CCN(CCC(=O)N(C)CCC#N)[C@H]1CCc2ccccc21 N#CCC[*:1] C#CCN(CCC(=O)N(C)[*:1])[C@H]1CCc2ccccc21
C#CCN(CCC(=O)N(C)CCC#N)[C@H]1CCc2ccccc21 C#CC[*:1] CN(CCC#N)C(=O)CCN([C@H]1CCc2ccccc21)[*:1]
O=C(CCn1ncc(=O)c2ccccc21)NNC(=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(CCn1ncc(=O)c2ccccc21)NNC(=O)NC[*:1]
O=C(CCn1ncc(=O)c2ccccc21)NNC(=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CCn1ncc(=O)c2ccccc21)NNC(=O)N[*:1]
CC(=O)N1CC[C@@H](C(=O)O[C@H](C)Cn2cccn2)C1 c1cnn(c1)C[*:1] CC(=O)N1CC[C@H](C1)C(=O)O[C@H](C)[*:1]
CC(=O)N1CC[C@@H](C(=O)O[C@H](C)Cn2cccn2)C1 c1cnn(c1)[*:1] CC(=O)N1CC[C@H](C1)C(=O)O[C@H](C)C[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)Nc2cc(OC)ccc2F)CC1 CCCC[*:1] COc1ccc(F)c(c1)NC(=O)N1CCC(CC1)C(=O)N(C)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)Nc2cc(OC)ccc2F)CC1 CCC[*:1] COc1ccc(F)c(c1)NC(=O)N1CCC(CC1)C(=O)N(C)C[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)Nc2cc(OC)ccc2F)CC1 CCCCN(C)C(=O)[*:1] COc1ccc(F)c(c1)NC(=O)N1CCC(CC1)[*:1]
O=C(NCCO)c1ccc(Oc2nnc(-c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] O=C(NCCO)c1ccc(cc1)Oc1nnc(s1)[*:1]
O=C(NCCO)c1ccc(Oc2nnc(-c3ccccc3)s2)cc1 OCC[*:1] O=C(N[*:1])c1ccc(cc1)Oc1nnc(s1)-c1ccccc1
O=C(NCCO)c1ccc(Oc2nnc(-c3ccccc3)s2)cc1 O=C(NCCO)[*:1] c1ccc(cc1)-c1nnc(Oc2ccc(cc2)[*:1])s1
O=C(NCCc1csc(N2CCCC2)n1)N1CCC[C@H]1c1ccccc1 C1CCN(C1)[*:1] O=C(NCCc1csc(n1)[*:1])N1CCC[C@H]1c1ccccc1
O=C(NCCc1csc(N2CCCC2)n1)N1CCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1csc(n1)N1CCCC1)N1CCC[C@@H]1[*:1]
CO[C@@]1(C)C[C@H]([NH2+]Cc2cccc(OCC#N)c2)C1(C)C N#CCO[*:1] CO[C@@]1(C)C[C@H]([NH2+]Cc2cccc(c2)[*:1])C1(C)C
CO[C@@]1(C)C[C@H]([NH2+]Cc2cccc(OCC#N)c2)C1(C)C N#CC[*:1] CO[C@@]1(C)C[C@H]([NH2+]Cc2cccc(c2)O[*:1])C1(C)C
O=C(Nc1ccccc1F)N1CCC[C@H]1c1ccc2c(c1)OCCO2 Fc1ccccc1[*:1] O=C(N[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
CN(CC(N)=O)S(=O)(=O)c1ccc(C(=O)[O-])cc1Br NC(=O)C[*:1] CN(S(=O)(=O)c1ccc(cc1Br)C(=O)[O-])[*:1]
CN(CC(N)=O)S(=O)(=O)c1ccc(C(=O)[O-])cc1Br O=C([O-])[*:1] CN(CC(N)=O)S(=O)(=O)c1ccc(cc1Br)[*:1]
CN(CC(N)=O)S(=O)(=O)c1ccc(C(=O)[O-])cc1Br NC(=O)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(cc1Br)C(=O)[O-]
COc1ccc(-c2nc(CNC(=O)[C@@H](C)n3nc(-n4cccn4)ccc3=O)cs2)cc1 c1cnn(c1)[*:1] COc1ccc(cc1)-c1nc(cs1)CNC(=O)[C@@H](C)n1nc(ccc1=O)[*:1]
COc1ccc(-c2nc(CNC(=O)[C@@H](C)n3nc(-n4cccn4)ccc3=O)cs2)cc1 COc1ccc(cc1)[*:1] C[C@H](C(=O)NCc1csc(n1)[*:1])n1nc(ccc1=O)-n1cccn1
O=Cc1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)[nH]1 FC(F)O[*:1] O=Cc1ccc([nH]1)C(=O)N1CCO[C@@H](C1)c1cccc(c1)[*:1]
O=Cc1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)[nH]1 O=Cc1ccc([nH]1)[*:1] O=C(N1CCO[C@@H](C1)c1cccc(c1)OC(F)F)[*:1]
O=Cc1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)[nH]1 FC(F)[*:1] O=Cc1ccc([nH]1)C(=O)N1CCO[C@@H](C1)c1cccc(c1)O[*:1]
Cc1ccc2oc(C(=O)N(C)c3ccc(S(C)(=O)=O)cc3)cc2c1 CS(=O)(=O)[*:1] Cc1ccc2oc(cc2c1)C(=O)N(C)c1ccc(cc1)[*:1]
O=C(NCC(C1CC1)C1CC1)c1c[nH]nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC(C1CC1)C1CC1)c1c[nH]nc1[*:1]
O=C(NCC(C1CC1)C1CC1)c1c[nH]nc1-c1ccccc1 C1CC1[*:1] O=C(NCC(C1CC1)[*:1])c1c[nH]nc1-c1ccccc1
O=C(NCC(C1CC1)C1CC1)c1c[nH]nc1-c1ccccc1 C1CC1C(C1CC1)[*:1] O=C(NC[*:1])c1c[nH]nc1-c1ccccc1
CCCc1c(C(=O)Nc2ccccc2Cl)cnn1Cc1ccccc1 CCC[*:1] O=C(Nc1ccccc1Cl)c1cnn(Cc2ccccc2)c1[*:1]
CCCc1c(C(=O)Nc2ccccc2Cl)cnn1Cc1ccccc1 c1ccc(cc1)[*:1] CCCc1c(cnn1C[*:1])C(=O)Nc1ccccc1Cl
CCCc1c(C(=O)Nc2ccccc2Cl)cnn1Cc1ccccc1 c1ccc(cc1)C[*:1] CCCc1c(cnn1[*:1])C(=O)Nc1ccccc1Cl
CCCc1c(C(=O)Nc2ccccc2Cl)cnn1Cc1ccccc1 Clc1ccccc1[*:1] CCCc1c(cnn1Cc1ccccc1)C(=O)N[*:1]
Cc1ccc(-n2c(S[C@@H]3CCOC3=O)nc3ccccc3c2=O)cc1F Cc1ccc(cc1F)[*:1] O=C1OCC[C@H]1Sc1nc2ccccc2c(=O)n1[*:1]
Fc1ccc(C2=N[NH+]=C(NCc3ccccc3)SC2)cc1F c1ccc(cc1)C[*:1] Fc1ccc(cc1F)C1CSC(N[*:1])=[NH+]N=1
Fc1ccc(C2=N[NH+]=C(NCc3ccccc3)SC2)cc1F c1ccc(cc1)[*:1] Fc1ccc(cc1F)C1CSC(NC[*:1])=[NH+]N=1
CCNC(=O)COc1cccc(NC(=O)N2CCC[C@H](CC)C2)c1 CCNC(=O)C[*:1] CC[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)O[*:1]
CCNC(=O)COc1cccc(NC(=O)N2CCC[C@H](CC)C2)c1 CCNC(=O)[*:1] CC[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)OC[*:1]
CCNC(=O)COc1cccc(NC(=O)N2CCC[C@H](CC)C2)c1 CCNC(=O)CO[*:1] CC[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)[*:1]
CCc1ccc(O)c(NC(=O)CCCc2nc(C(C)(C)C)no2)c1 CC(C)(C)[*:1] CCc1ccc(O)c(c1)NC(=O)CCCc1nc(no1)[*:1]
CC[C@@H]1CCC[C@](C[NH3+])([C@](C)(O)C=O)C1 C[C@](O)(C=O)[*:1] CC[C@@H]1CCC[C@](C[NH3+])(C1)[*:1]
CCOC(=O)/C(CC)=C(\C)NNC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCOC(=O)/C(CC)=C(\C)NNC(=O)[*:1]
CCOC(=O)/C(CC)=C(\C)NNC(=O)c1ccc(Br)cc1 CCOC(=O)[*:1] CCC(=C(C)NNC(=O)c1ccc(Br)cc1)[*:1]
CO[C@]1(C)C[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1(C)C CC(C)(C)[*:1] CO[C@]1(C)C[C@H](NC(=O)[C@H](C)NC(=O)[*:1])C1(C)C
CO[C@]1(C)C[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1(C)C CC(C)(C)C(=O)N[*:1] CO[C@]1(C)C[C@H](NC(=O)[C@H](C)[*:1])C1(C)C
Cc1noc(C)c1S(=O)(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 Cc1noc(C)c1[*:1] CC(C)(CNS(=O)(=O)[*:1])c1ccc2OCCOc2c1
CCCCCN(C)c1ncc(C(=O)[O-])cc1Cl CCC[*:1] CN(CC[*:1])c1ncc(cc1Cl)C(=O)[O-]
CCCCCN(C)c1ncc(C(=O)[O-])cc1Cl O=C([O-])[*:1] CCCCCN(C)c1ncc(cc1Cl)[*:1]
CCCCCN(C)c1ncc(C(=O)[O-])cc1Cl CCCCC[*:1] CN(c1ncc(cc1Cl)C(=O)[O-])[*:1]
CCCCCN(C)c1ncc(C(=O)[O-])cc1Cl CCCC[*:1] CN(C[*:1])c1ncc(cc1Cl)C(=O)[O-]
C=CC[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1occc1C O=[N+]([O-])[*:1] C=CC[NH+](Cc1cccc(c1)[*:1])Cc1occc1C
C=CC[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1occc1C Cc1ccoc1C[*:1] C=CC[NH+](Cc1cccc(c1)[N+](=O)[O-])[*:1]
C=CC[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1occc1C Cc1ccoc1[*:1] C=CC[NH+](Cc1cccc(c1)[N+](=O)[O-])C[*:1]
C[NH2+][C@H](C=C(C)C)c1nc[nH]n1 CC(C)=C[*:1] C[NH2+][C@H](c1nc[nH]n1)[*:1]
CCCCC[C@H](Br)[C@H](C)c1ccncc1 CCCC[*:1] C[C@H](c1ccncc1)[C@@H](Br)C[*:1]
CCCCC[C@H](Br)[C@H](C)c1ccncc1 CCC[*:1] C[C@H](c1ccncc1)[C@@H](Br)CC[*:1]
CCCCC[C@H](Br)[C@H](C)c1ccncc1 CCCCC[*:1] C[C@H](c1ccncc1)[C@@H](Br)[*:1]
C=CCN(CC=C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 C=CC[*:1] C=CCN(C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[*:1]
C=CCN(CC=C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C=CCN(CC=C)C(=O)/C=C/c1ccc(cc1)[*:1]
C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)C(C)(C)C CC(C)(C)[*:1] C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[*:1]
C[C@@H]1CCC[C@H](C(=O)NCc2cccc(OCC(N)=O)c2)C1 NC(=O)[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)NCc1cccc(c1)OC[*:1]
C[C@@H]1CCC[C@H](C(=O)NCc2cccc(OCC(N)=O)c2)C1 NC(=O)C[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)NCc1cccc(c1)O[*:1]
C[C@@H]1CCC[C@H](C(=O)NCc2cccc(OCC(N)=O)c2)C1 NC(=O)CO[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)NCc1cccc(c1)[*:1]
CCn1ncc2c1CCC[C@@H]2[NH2+][C@H](C)C(=O)NCCc1cccs1 c1csc(c1)C[*:1] CCn1ncc2c1CCC[C@@H]2[NH2+][C@H](C)C(=O)NC[*:1]
CCn1ncc2c1CCC[C@@H]2[NH2+][C@H](C)C(=O)NCCc1cccs1 c1csc(c1)[*:1] CCn1ncc2c1CCC[C@@H]2[NH2+][C@H](C)C(=O)NCC[*:1]
CCn1ncc2c1CCC[C@@H]2[NH2+][C@H](C)C(=O)NCCc1cccs1 c1csc(c1)CC[*:1] CCn1ncc2c1CCC[C@@H]2[NH2+][C@H](C)C(=O)N[*:1]
CCc1ccc(C(=O)CCC(=O)N2CCN(c3cnccn3)CC2)cc1 c1cnc(cn1)[*:1] CCc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)[*:1]
CCc1ccc(C(=O)CCC(=O)N2CCN(c3cnccn3)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N1CCN(CC1)c1cnccn1
CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O Cc1ccc(cc1)[*:1] CCNC(=O)/C(C#N)=C/c1c(nc2c(C)cccn2c1=O)O[*:1]
CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O Cc1ccc(cc1)O[*:1] CCNC(=O)/C(C#N)=C/c1c(nc2c(C)cccn2c1=O)[*:1]
CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O CCNC(=O)C(C#N)=C[*:1] Cc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1[*:1]
CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O CCNC(=O)[*:1] Cc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)[*:1]
NC(=O)CC[C@H](NC(=O)N[C@H]1CCOC1)C(=O)[O-] NC(=O)[*:1] O=C(N[C@H]1CCOC1)N[C@@H](CC[*:1])C(=O)[O-]
NC(=O)CC[C@H](NC(=O)N[C@H]1CCOC1)C(=O)[O-] C1C[C@@H](CO1)[*:1] NC(=O)CC[C@H](NC(=O)N[*:1])C(=O)[O-]
NC(=O)CC[C@H](NC(=O)N[C@H]1CCOC1)C(=O)[O-] NC(=O)CC[*:1] O=C(N[C@H]1CCOC1)N[C@H](C(=O)[O-])[*:1]
NC(=O)CC[C@H](NC(=O)N[C@H]1CCOC1)C(=O)[O-] O=C([O-])[*:1] NC(=O)CC[C@H](NC(=O)N[C@H]1CCOC1)[*:1]
NC(=O)CC[C@H](NC(=O)N[C@H]1CCOC1)C(=O)[O-] NC(=O)C[*:1] O=C(N[C@H]1CCOC1)N[C@@H](C[*:1])C(=O)[O-]
Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(CCC(=O)N(C)C)cc1 CN(C)C(=O)CC[*:1] Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(CCC(=O)N(C)C)cc1 Cc1cccc(C)c1[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(cc1)CCC(=O)N(C)C
Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(CCC(=O)N(C)C)cc1 Cc1cccc(C)c1O[*:1] C[C@H](C(=O)Nc1ccc(cc1)CCC(=O)N(C)C)[*:1]
Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(CCC(=O)N(C)C)cc1 CN(C)C(=O)C[*:1] Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(cc1)C[*:1]
Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(CCC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(cc1)CC[*:1]
CC(C)c1[nH+]ccn1CCC(=O)Nc1ccccc1C[NH+]1CCCC1 CC(C)[*:1] O=C(CCn1cc[nH+]c1[*:1])Nc1ccccc1C[NH+]1CCCC1
CCC[C@H](CNC(=O)N1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] CCC[C@H](C(=O)[O-])[*:1] O=C(NC[*:1])N1CCN2C(=O)NC[C@H]2C1
CCC[C@H](CNC(=O)N1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] O=C([O-])[*:1] CCC[C@H](CNC(=O)N1CCN2C(=O)NC[C@H]2C1)[*:1]
CCC[C@H](CNC(=O)N1CCN2C(=O)NC[C@H]2C1)C(=O)[O-] CCC[*:1] O=C([O-])[C@@H](CNC(=O)N1CCN2C(=O)NC[C@H]2C1)[*:1]
O=C(Cc1ccc(CO)cc1)N1CCC([C@H](O)CCc2ccccc2)CC1 OCc1ccc(cc1)C[*:1] O=C(N1CCC(CC1)[C@H](O)CCc1ccccc1)[*:1]
O=C(Cc1ccc(CO)cc1)N1CCC([C@H](O)CCc2ccccc2)CC1 OCc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC(CC1)[C@H](O)CCc1ccccc1
O=C(Cc1ccc(CO)cc1)N1CCC([C@H](O)CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(Cc1ccc(cc1)CO)N1CCC(CC1)[C@H](O)[*:1]
O=C(Cc1ccc(CO)cc1)N1CCC([C@H](O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Cc1ccc(cc1)CO)N1CCC(CC1)[C@H](O)C[*:1]
O=C(Cc1ccc(CO)cc1)N1CCC([C@H](O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)CO)N1CCC(CC1)[C@H](O)CC[*:1]
CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCN1C(=O)c2ccccc2C1=O c1csc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)OCN1C(=O)c2ccccc2C1=O
CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCN1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(N[C@H](C(=O)OCN1C(=O)c2ccccc2C1=O)[*:1])c1cccs1
CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCN1C(=O)c2ccccc2C1=O O=C(N[*:1])c1cccs1 CC(C)[C@H](C(=O)OCN1C(=O)c2ccccc2C1=O)[*:1]
Cc1csc(C[NH2+]C[C@H]2CCC[C@H]2C(=O)[O-])n1 O=C([O-])[*:1] Cc1csc(C[NH2+]C[C@H]2CCC[C@@H]2[*:1])n1
O=[N+]([O-])c1cc(C[NH2+]C2CC2)ccc1OC1CCCC1 O=[N+]([O-])[*:1] c1cc(OC2CCCC2)c(cc1C[NH2+]C1CC1)[*:1]
O=[N+]([O-])c1cc(C[NH2+]C2CC2)ccc1OC1CCCC1 C1CCC(C1)O[*:1] O=[N+]([O-])c1cc(ccc1[*:1])C[NH2+]C1CC1
O=[N+]([O-])c1cc(C[NH2+]C2CC2)ccc1OC1CCCC1 C1CC1[*:1] O=[N+]([O-])c1cc(ccc1OC1CCCC1)C[NH2+][*:1]
O=[N+]([O-])c1cc(C[NH2+]C2CC2)ccc1OC1CCCC1 C1CCC(C1)[*:1] O=[N+]([O-])c1cc(ccc1O[*:1])C[NH2+]C1CC1
CC(=O)N(/[NH+]=c1/oc(=O)[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)N(/[NH+]=c1/oc(=O)[nH]c2ccccc12)c1ccc(cc1)[*:1]
C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)([NH+](C)C)C1 c1cncc(c1)[*:1] C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2[*:1])(C1)[NH+](C)C
CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1C Cc1cc(F)ccc1N[*:1] CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1[*:1]
CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1C Cc1cc(F)ccc1[*:1] CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1N[*:1]
COCCn1c(SCC(=O)N2CCC[C@H](C(N)=O)C2)nc2cc(Cl)ccc21 NC(=O)[*:1] COCCn1c(nc2cc(Cl)ccc21)SCC(=O)N1CCC[C@H](C1)[*:1]
COCCn1c(SCC(=O)N2CCC[C@H](C(N)=O)C2)nc2cc(Cl)ccc21 COCC[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)CSc1nc2cc(Cl)ccc2n1[*:1]
COCCn1c(SCC(=O)N2CCC[C@H](C(N)=O)C2)nc2cc(Cl)ccc21 COC[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)CSc1nc2cc(Cl)ccc2n1C[*:1]
CCC[C@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C CCC[*:1] Cc1c(cc(c(C)c1[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CCC[C@H]1C[C@H]1NC(=O)c1cc(c(C)c(c1C)[N+](=O)[O-])[*:1]
CCC[C@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CCC[C@H]1C[C@H]1NC(=O)c1cc(c(C)c(c1C)[*:1])[N+](=O)[O-]
C[C@@H]1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1 NC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)C1CC1)c2[*:1]
C[C@@H]1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1 C1CC1[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
C[C@@H]1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1 O=C(N[*:1])C1CC1 C[C@@H]1CCc2c(C1)sc(c2C(N)=O)[*:1]
O=C([O-])c1cncc(Nc2cc(Cl)ccc2Cl)n1 O=C([O-])[*:1] Clc1ccc(Cl)c(c1)Nc1cncc(n1)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCOC2(CCCC2)C1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)N1CCOC2(CCCC2)C1)[*:1]
CC(C)Oc1ccc([C@H](C)Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 CC(C)[*:1] C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H](C)Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 CC(C)O[*:1] C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc(cc1)[*:1]
CCCN(Cc1ccccc1)Cc1n[nH]c(=O)[nH]1 c1ccc(cc1)[*:1] CCCN(Cc1n[nH]c(=O)[nH]1)C[*:1]
CCCN(Cc1ccccc1)Cc1n[nH]c(=O)[nH]1 O=c1[nH]nc([nH]1)[*:1] CCCN(Cc1ccccc1)C[*:1]
CCCN(Cc1ccccc1)Cc1n[nH]c(=O)[nH]1 CCC[*:1] O=c1[nH]nc(CN(Cc2ccccc2)[*:1])[nH]1
Cc1oc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1S(N)(=O)=O CC(C)(C)[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1oc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)Nc1ccc(cc1)C(C)(C)C
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@](O)(c1cccs1)C(F)(F)F O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])NC[C@@](O)(c1cccs1)C(F)(F)F
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@](O)(c1cccs1)C(F)(F)F c1csc(c1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])NC[C@@](O)(C(F)(F)F)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@](O)(c1cccs1)C(F)(F)F FC(F)(F)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])NC[C@@](O)(c1cccs1)[*:1]
Nc1ccc([C@@H](O)[C@H](CO)NC(=O)COc2ccc(Cl)cc2)cc1 Nc1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)N[C@@H](CO)[C@H](O)[*:1]
Nc1ccc([C@@H](O)[C@H](CO)NC(=O)COc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Nc1ccc(cc1)[C@@H](O)[C@H](CO)NC(=O)CO[*:1]
Nc1ccc([C@@H](O)[C@H](CO)NC(=O)COc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)O[*:1] Nc1ccc(cc1)[C@@H](O)[C@H](CO)NC(=O)C[*:1]
C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC#N)c2)c2ccccc2S1 N#CCO[*:1] C[C@H]1C[C@H]([NH2+]Cc2cccc(c2)[*:1])c2ccccc2S1
C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC#N)c2)c2ccccc2S1 N#CC[*:1] C[C@H]1C[C@H]([NH2+]Cc2cccc(c2)O[*:1])c2ccccc2S1
CCN(C(=O)NCCC(=O)Nc1ccc(C)cc1Cl)C1CCCCC1 Cc1ccc(c(Cl)c1)[*:1] CCN(C(=O)NCCC(=O)N[*:1])C1CCCCC1
CCN(C(=O)NCCC(=O)Nc1ccc(C)cc1Cl)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)NCCC(=O)Nc1ccc(C)cc1Cl)[*:1]
COC(=O)c1ccc(OC(=O)C=C(C)C)c([N+](=O)[O-])c1 CC(C)=C[*:1] COC(=O)c1ccc(OC(=O)[*:1])c(c1)[N+](=O)[O-]
COC(=O)c1ccc(OC(=O)C=C(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1ccc(OC(=O)C=C(C)C)c(c1)[*:1]
COC(=O)c1ccc(OC(=O)C=C(C)C)c([N+](=O)[O-])c1 COC(=O)[*:1] CC(C)=CC(=O)Oc1ccc(cc1[N+](=O)[O-])[*:1]
O=C1COCC(=O)N1CCCS SCCC[*:1] O=C1COCC(=O)N1[*:1]
O=C1COCC(=O)N1CCCS SCC[*:1] O=C1COCC(=O)N1C[*:1]
Cc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)cc1F Cc1ccc(cc1F)[*:1] O=C(Cn1ncn2nc(cc2c1=O)-c1ccc(F)cc1)N[*:1]
Cc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)cc1F Fc1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)Cn1ncn2nc(cc2c1=O)[*:1]
COCCCn1cnnc1[C@@H](C)NC(=O)c1cn2cc(C)ccc2n1 COCCC[*:1] Cc1ccc2nc(cn2c1)C(=O)N[C@H](C)c1nncn1[*:1]
COCCCn1cnnc1[C@@H](C)NC(=O)c1cn2cc(C)ccc2n1 COC[*:1] Cc1ccc2nc(cn2c1)C(=O)N[C@H](C)c1nncn1CC[*:1]
COCCCn1cnnc1[C@@H](C)NC(=O)c1cn2cc(C)ccc2n1 COCC[*:1] Cc1ccc2nc(cn2c1)C(=O)N[C@H](C)c1nncn1C[*:1]
Clc1ccc2c(c1)nc(SCc1ccon1)n2Cc1ccccc1 c1ccc(cc1)[*:1] Clc1ccc2c(c1)nc(SCc1ccon1)n2C[*:1]
Clc1ccc2c(c1)nc(SCc1ccon1)n2Cc1ccccc1 c1cc(C[*:1])no1 Clc1ccc2c(c1)nc(S[*:1])n2Cc1ccccc1
Clc1ccc2c(c1)nc(SCc1ccon1)n2Cc1ccccc1 c1cc(CS[*:1])no1 Clc1ccc2c(c1)nc(n2Cc1ccccc1)[*:1]
Clc1ccc2c(c1)nc(SCc1ccon1)n2Cc1ccccc1 c1cc(no1)[*:1] Clc1ccc2c(c1)nc(SC[*:1])n2Cc1ccccc1
Clc1ccc2c(c1)nc(SCc1ccon1)n2Cc1ccccc1 c1ccc(cc1)C[*:1] Clc1ccc2c(c1)nc(SCc1ccon1)n2[*:1]
CC[C@@H](CC(=O)N[C@@H](C)C(N)=O)c1ccc(C)cc1 C[C@@H](C(N)=O)[*:1] CC[C@@H](CC(=O)N[*:1])c1ccc(C)cc1
CC[C@@H](CC(=O)N[C@@H](C)C(N)=O)c1ccc(C)cc1 NC(=O)[*:1] CC[C@@H](CC(=O)N[C@@H](C)[*:1])c1ccc(C)cc1
COC(=O)c1ccc(NC(=O)C[NH+]2CCc3sccc3C2)cc1 COC(=O)[*:1] O=C(C[NH+]1CCc2sccc2C1)Nc1ccc(cc1)[*:1]
Cc1ccc(OCC(=O)NCCc2cccs2)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)OCC(=O)NC[*:1]
Cc1ccc(OCC(=O)NCCc2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)OCC(=O)NCC[*:1]
Cc1cccc(NNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 Cc1cccc(c1)[*:1] CN(CC(=O)NN[*:1])S(=O)(=O)c1ccc(C#N)cc1
Cc1cccc(NNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)[*:1] Cc1cccc(c1)NNC(=O)CN(C)S(=O)(=O)[*:1]
O=c1c2ccc3c(=O)n(-c4nccs4)c(=O)c4ccc(c(=O)n1-c1nccs1)c2c34 c1csc(n1)[*:1] O=c1c2ccc3c(=O)n(c(=O)c4ccc(c(=O)n1-c1nccs1)c2c34)[*:1]
Cc1c(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc(C(=O)N2CCCCC2)n1C O=C(N1CCCCC1)[*:1] Cc1c(cc(n1C)[*:1])S(=O)(=O)N1CCC(CC1)[NH+]1CCCCC1
COc1cc(OC)cc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)c1 COc1cc(cc(c1)[*:1])OC Cc1cc(NC(=O)[*:1])n(n1)-c1ncnc2c1cnn2-c1ccc(F)cc1
COc1cc(OC)cc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2[*:1])OC
CC#CCN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O CC#CC[*:1] CC[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(cc1)OC
CC#CCN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O CC#C[*:1] CC[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(cc1)OC
Oc1cccc(-c2c(-c3ccccc3)ncn2Cc2ccc3nonc3c2)c1 Oc1cccc(c1)[*:1] c1ccc(cc1)-c1ncn(Cc2ccc3nonc3c2)c1[*:1]
Oc1cccc(-c2c(-c3ccccc3)ncn2Cc2ccc3nonc3c2)c1 c1cc2nonc2cc1[*:1] Oc1cccc(c1)-c1c(ncn1C[*:1])-c1ccccc1
Oc1cccc(-c2c(-c3ccccc3)ncn2Cc2ccc3nonc3c2)c1 c1ccc(cc1)[*:1] Oc1cccc(c1)-c1c(ncn1Cc1ccc2nonc2c1)[*:1]
Cc1cccc(C)c1CNc1cccc(CS(=O)(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(C)c1CNc1cccc(c1)CS(=O)(=O)N[*:1]
Cc1cccc(C)c1CNc1cccc(CS(=O)(=O)NC(C)(C)C)c1 Cc1cccc(C)c1[*:1] CC(C)(C)NS(=O)(=O)Cc1cccc(c1)NC[*:1]
Cc1cccc(C)c1CNc1cccc(CS(=O)(=O)NC(C)(C)C)c1 CC(C)(C)NS(=O)(=O)[*:1] Cc1cccc(C)c1CNc1cccc(c1)C[*:1]
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@H](CCCO)c1ccccc1 OCCC[*:1] O=C(N[C@@H]1CCC[C@@H](C1)C(F)(F)F)N[C@H](c1ccccc1)[*:1]
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@H](CCCO)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCC[C@@H](C1)C(F)(F)F)N[C@H](CCCO)[*:1]
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@H](CCCO)c1ccccc1 OCC[*:1] O=C(N[C@@H]1CCC[C@@H](C1)C(F)(F)F)N[C@H](C[*:1])c1ccccc1
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@H](CCCO)c1ccccc1 FC(F)(F)[*:1] O=C(N[C@@H]1CCC[C@H](C1)[*:1])N[C@H](CCCO)c1ccccc1
CN(CCc1ccccn1)c1ncc(-c2ccncc2)c(-c2cccs2)n1 c1csc(c1)[*:1] CN(CCc1ccccn1)c1ncc(-c2ccncc2)c(n1)[*:1]
CN(CCc1ccccn1)c1ncc(-c2ccncc2)c(-c2cccs2)n1 c1ccc(CC[*:1])nc1 CN(c1ncc(-c2ccncc2)c(n1)-c1cccs1)[*:1]
CN(CCc1ccccn1)c1ncc(-c2ccncc2)c(-c2cccs2)n1 c1cc(ccn1)[*:1] CN(CCc1ccccn1)c1ncc(c(n1)-c1cccs1)[*:1]
CN(CCc1ccccn1)c1ncc(-c2ccncc2)c(-c2cccs2)n1 c1ccc(C[*:1])nc1 CN(C[*:1])c1ncc(-c2ccncc2)c(n1)-c1cccs1
CN(CCc1ccccn1)c1ncc(-c2ccncc2)c(-c2cccs2)n1 c1ccc(nc1)[*:1] CN(CC[*:1])c1ncc(-c2ccncc2)c(n1)-c1cccs1
CCC[C@@H](C)N1C[C@H](C(=O)Nc2cnn(CC(C)C)c2)CC1=O CCC[*:1] CC(C)Cn1cc(cn1)NC(=O)[C@@H]1CC(=O)N(C1)[C@H](C)[*:1]
CCC[C@@H](C)N1C[C@H](C(=O)Nc2cnn(CC(C)C)c2)CC1=O CCC[C@@H](C)[*:1] CC(C)Cn1cc(cn1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCC[C@@H](C)N1C[C@H](C(=O)Nc2cnn(CC(C)C)c2)CC1=O CC(C)C[*:1] CCC[C@@H](C)N1C[C@@H](CC1=O)C(=O)Nc1cnn(c1)[*:1]
CCC[C@@H](C)N1C[C@H](C(=O)Nc2cnn(CC(C)C)c2)CC1=O CC(C)[*:1] CCC[C@@H](C)N1C[C@@H](CC1=O)C(=O)Nc1cnn(c1)C[*:1]
Cc1cccn2cc(COc3ccc(C(=O)N4CCC(C)CC4)cc3)nc12 CC1CCN(CC1)C(=O)[*:1] Cc1cccn2cc(COc3ccc(cc3)[*:1])nc12
[NH3+]CCC#CCN1CCN(C(=O)OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] [NH3+]CCC#CCN1CCN(CC1)C(=O)O[*:1]
[NH3+]CCC#CCN1CCN(C(=O)OCc2ccccc2)CC1 c1ccc(cc1)[*:1] [NH3+]CCC#CCN1CCN(CC1)C(=O)OC[*:1]
O=C(NC1CCCC1)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl C1CCC(C1)[*:1] O=C(N[*:1])c1cc(ccc1Cl)S(=O)(=O)Nc1ccccc1F
O=C(NC1CCCC1)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl Fc1ccccc1[*:1] O=C(NC1CCCC1)c1cc(ccc1Cl)S(=O)(=O)N[*:1]
O=C(NC1CCCC1)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl O=C(NC1CCCC1)[*:1] O=S(=O)(Nc1ccccc1F)c1ccc(Cl)c(c1)[*:1]
Cc1cccc(CC(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)c1 O=C([O-])[*:1] Cc1cccc(c1)CC(=O)N1CCC2(CCC(=O)N(C2)[C@H](C)[*:1])CC1
Cc1cccc(CC(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)c1 Cc1cccc(c1)[*:1] C[C@H](C(=O)[O-])N1CC2(CCC1=O)CCN(CC2)C(=O)C[*:1]
Cc1cccc(CC(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)c1 Cc1cccc(c1)C[*:1] C[C@H](C(=O)[O-])N1CC2(CCC1=O)CCN(CC2)C(=O)[*:1]
COc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2)C2CCOCC2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)CO[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)N[C@@H](C1CCOCC1)[*:1]
COc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2)C2CCOCC2)cc1 Clc1ccc(cc1)O[*:1] COc1ccc(cc1)[C@@H](NC(=O)C[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)COc1ccc(Cl)cc1)[*:1]
COc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2)C2CCOCC2)cc1 Clc1ccc(cc1)OC[*:1] COc1ccc(cc1)[C@@H](NC(=O)[*:1])C1CCOCC1
Cc1cccc(CNC(=O)C(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1cccc(c1)CNC(=O)C(=O)NC[*:1]
Cc1cccc(CNC(=O)C(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1cccc(c1)CNC(=O)C(=O)N[*:1]
CCCC[C@H](CC)C(=O)Nc1ccccn1 CCC[*:1] CC[C@@H](C[*:1])C(=O)Nc1ccccn1
CCCC[C@H](CC)C(=O)Nc1ccccn1 CCCC[*:1] CC[C@H](C(=O)Nc1ccccn1)[*:1]
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCC[C@H](C)C1 C[C@H]1CCCN(C1)C(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1CCCCCC1
COc1ccccc1C(=O)NCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 COc1ccccc1[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)CNC(=O)[*:1]
COc1ccccc1C(=O)NCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccccc1C(=O)NCC(=O)Nc1ccc(C)c(c1)[*:1]
C#CCNCC(=O)NCc1cc(C)no1 C#CCN[*:1] Cc1cc(CNC(=O)C[*:1])on1
C#CCNCC(=O)NCc1cc(C)no1 C#CCNC[*:1] Cc1cc(CNC(=O)[*:1])on1
C#CCNCC(=O)NCc1cc(C)no1 C#CC[*:1] Cc1cc(CNC(=O)CN[*:1])on1
CN(CCCNC(=O)c1nccnc1N)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCNC(=O)c1nccnc1N)[*:1]
CN(CCCNC(=O)c1nccnc1N)c1ccccc1 Nc1nccnc1[*:1] CN(CCCNC(=O)[*:1])c1ccccc1
Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccccc3C#N)CC2=O)c1 Cc1ccc(C)c(c1)[*:1] N#Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccccc3C#N)CC2=O)c1 N#Cc1ccccc1[*:1] Cc1ccc(C)c(c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCOCCOc1cccc(-c2cc(-c3ccccc3N)n[nH]2)c1 CCOCCO[*:1] Nc1ccccc1-c1cc([nH]n1)-c1cccc(c1)[*:1]
CCOCCOc1cccc(-c2cc(-c3ccccc3N)n[nH]2)c1 Nc1ccccc1[*:1] CCOCCOc1cccc(c1)-c1cc(n[nH]1)[*:1]
CCOCCOc1cccc(-c2cc(-c3ccccc3N)n[nH]2)c1 CCOCC[*:1] Nc1ccccc1-c1cc([nH]n1)-c1cccc(c1)O[*:1]
CCOCCOc1cccc(-c2cc(-c3ccccc3N)n[nH]2)c1 CCO[*:1] Nc1ccccc1-c1cc([nH]n1)-c1cccc(c1)OCC[*:1]
CCOCCOc1cccc(-c2cc(-c3ccccc3N)n[nH]2)c1 CCOC[*:1] Nc1ccccc1-c1cc([nH]n1)-c1cccc(c1)OC[*:1]
CC1=NC(C(=O)NCc2ccccc2Cl)=C(C)[C@H]1S(=O)(=O)N1CCCCC1 Clc1ccccc1C[*:1] CC1=NC(C(=O)N[*:1])=C(C)[C@H]1S(=O)(=O)N1CCCCC1
CC1=NC(C(=O)NCc2ccccc2Cl)=C(C)[C@H]1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] CC1=NC(C(=O)NCc2ccccc2Cl)=C(C)[C@@H]1[*:1]
CC1=NC(C(=O)NCc2ccccc2Cl)=C(C)[C@H]1S(=O)(=O)N1CCCCC1 Clc1ccccc1[*:1] CC1=NC(C(=O)NC[*:1])=C(C)[C@H]1S(=O)(=O)N1CCCCC1
Cc1ccc(C)c(CC(=O)OCc2nc(C)no2)c1 Cc1noc(n1)[*:1] Cc1ccc(C)c(c1)CC(=O)OC[*:1]
CC[NH+](CC)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@@H]1c1ccccn1 c1ccc(nc1)[*:1] CC[NH+](CC)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@H]1[*:1]
CCOC(=O)c1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(C)=C(C)C[C@H]1[*:1]
CCOC(=O)c1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 CCOC(=O)[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)C(=O)Nc1ccc(cc1)[*:1]
O=[N+]([O-])c1c(Nc2cccc(O)c2)cc(N2CCOCC2)c2nonc12 C1CN(CCO1)[*:1] O=[N+]([O-])c1c(cc(c2nonc12)[*:1])Nc1cccc(O)c1
O=[N+]([O-])c1c(Nc2cccc(O)c2)cc(N2CCOCC2)c2nonc12 O=[N+]([O-])[*:1] Oc1cccc(c1)Nc1cc(c2nonc2c1[*:1])N1CCOCC1
O=[N+]([O-])c1c(Nc2cccc(O)c2)cc(N2CCOCC2)c2nonc12 Oc1cccc(c1)[*:1] O=[N+]([O-])c1c(cc(c2nonc12)N1CCOCC1)N[*:1]
O=[N+]([O-])c1c(Nc2cccc(O)c2)cc(N2CCOCC2)c2nonc12 Oc1cccc(c1)N[*:1] O=[N+]([O-])c1c(cc(c2nonc12)N1CCOCC1)[*:1]
COC(=O)c1cc(CN2CCN(c3nc(C)ns3)CC2)c(C)s1 COC(=O)[*:1] Cc1nsc(n1)N1CCN(CC1)Cc1cc(sc1C)[*:1]
COC(=O)c1cc(CN2CCN(c3nc(C)ns3)CC2)c(C)s1 Cc1nsc(n1)[*:1] COC(=O)c1cc(CN2CCN(CC2)[*:1])c(C)s1
CCc1cc2c(=O)n(Cc3ccc(F)cc3)c(=S)[nH]c2s1 Fc1ccc(cc1)[*:1] CCc1cc2c(=O)n(C[*:1])c(=S)[nH]c2s1
CN(Cc1nc2ccccc2[nH]1)C(=O)c1nonc1N Nc1nonc1[*:1] CN(Cc1nc2ccccc2[nH]1)C(=O)[*:1]
Cc1nn(CCCl)c(C)c1C(=O)N1CC(C)(C)C1(C)C ClCC[*:1] Cc1nn(c(C)c1C(=O)N1CC(C)(C)C1(C)C)[*:1]
C[C@H](CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)C[NH+]1CCCC1 S=c1[nH]ccn1[*:1] C[C@H](CNC(=O)c1ccc(cc1)[*:1])C[NH+]1CCCC1
COc1ccc2c(c1)C=C(CNc1cccc(N3CCN(C)C3=O)c1)CO2 CN1CCN(C1=O)[*:1] COc1ccc2OCC(=Cc2c1)CNc1cccc(c1)[*:1]
CCCc1cc(C(N)=O)c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])s1 CCC[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)C(=O)Nc1sc(cc1C(N)=O)[*:1]
CCCc1cc(C(N)=O)c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])s1 NC(=O)[*:1] CCCc1cc(c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])s1)[*:1]
CCCc1cc(C(N)=O)c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])s1 O=C([O-])[*:1] CCCc1cc(C(N)=O)c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2[*:1])s1
COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC Cc1ccc(cc1)C[*:1] COc1ccc(cc1OC)[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1C[*:1]
COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)CN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1[*:1]
CCOc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](O)C2)cc1 CCO[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](OCc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC(F)F c1ccc(cc1)C[*:1] C[C@@H](O[*:1])C(=O)Nc1cc(C#N)ccc1OC(F)F
C[C@@H](OCc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC(F)F FC(F)O[*:1] C[C@@H](OCc1ccccc1)C(=O)Nc1cc(C#N)ccc1[*:1]
C[C@@H](OCc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC(F)F c1ccc(cc1)CO[*:1] C[C@@H](C(=O)Nc1cc(C#N)ccc1OC(F)F)[*:1]
C[C@@H](OCc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC(F)F FC(F)[*:1] C[C@@H](OCc1ccccc1)C(=O)Nc1cc(C#N)ccc1O[*:1]
C[C@@H](OCc1ccccc1)C(=O)Nc1cc(C#N)ccc1OC(F)F c1ccc(cc1)[*:1] C[C@@H](OC[*:1])C(=O)Nc1cc(C#N)ccc1OC(F)F
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCC(O)(CC1)[*:1]
CNC(=O)c1nn(CCOc2ccccc2Cl)c(=O)c2ccccc12 Clc1ccccc1O[*:1] CNC(=O)c1nn(CC[*:1])c(=O)c2ccccc12
CNC(=O)c1nn(CCOc2ccccc2Cl)c(=O)c2ccccc12 Clc1ccccc1[*:1] CNC(=O)c1nn(CCO[*:1])c(=O)c2ccccc12
CNC(=O)c1nn(CCOc2ccccc2Cl)c(=O)c2ccccc12 CNC(=O)[*:1] O=c1c2ccccc2c(nn1CCOc1ccccc1Cl)[*:1]
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1c(O)cccc1O O=C1CCCN1C[*:1] O=C(Nc1ccc(cc1)[*:1])c1c(O)cccc1O
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1c(O)cccc1O Oc1cccc(O)c1[*:1] O=C1CCCN1Cc1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1c(O)cccc1O O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)C[*:1])c1c(O)cccc1O
Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@@H]3C(=O)N3CCN(C)CC3)oc12 CN1CCN(CC1)C(=O)[*:1] Cc1ccc(C)c2c(C)c(oc12)C(=O)N1CCC[C@H]1[*:1]
C[C@H](NC(=O)c1ccccc1Cn1cncn1)C(=O)N1CCCCC1 c1ncn(C[*:1])n1 C[C@H](NC(=O)c1ccccc1[*:1])C(=O)N1CCCCC1
C[C@H](NC(=O)c1ccccc1Cn1cncn1)C(=O)N1CCCCC1 c1ncn(n1)[*:1] C[C@H](NC(=O)c1ccccc1C[*:1])C(=O)N1CCCCC1
C[C@H](NC(=O)c1ccccc1Cn1cncn1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H](NC(=O)c1ccccc1Cn1cncn1)[*:1]
C[C@H](CNC(=O)c1ccccc1-n1cnnn1)CN1CC[NH+](C)CC1 c1nnnn1[*:1] C[C@H](CNC(=O)c1ccccc1[*:1])CN1CC[NH+](C)CC1
COc1ccc(C)c2sc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nc12 O=S(=O)(N[*:1])c1ccccc1 COc1ccc(C)c2sc(nc12)NC(=O)c1cccc(c1)[*:1]
COc1ccc(C)c2sc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nc12 c1ccc(cc1)[*:1] COc1ccc(C)c2sc(nc12)NC(=O)c1cccc(c1)NS(=O)(=O)[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)[C@H](C(=O)N1CCCC1)[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 O=C(N1CCCC1)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)[C@H](c1ccccc1)[*:1]
CCOC(=O)c1ccc(N=C2NC(=O)C(Cc3ccccc3)C(=O)N2)cc1 c1ccc(cc1)C[*:1] CCOC(=O)c1ccc(cc1)N=C1NC(=O)C(C(=O)N1)[*:1]
CCOC(=O)c1ccc(N=C2NC(=O)C(Cc3ccccc3)C(=O)N2)cc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)N=C1NC(=O)C(C[*:1])C(=O)N1
CCOC(=O)c1ccc(N=C2NC(=O)C(Cc3ccccc3)C(=O)N2)cc1 CCOC(=O)[*:1] O=C1NC(=Nc2ccc(cc2)[*:1])NC(=O)C1Cc1ccccc1
CN(C)c1ncccc1C(=O)Oc1cccc(Br)c1 CN(C)[*:1] O=C(Oc1cccc(Br)c1)c1cccnc1[*:1]
COC(=O)c1cncc(N(C)C[C@@H]2CCCOC2)n1 COC(=O)[*:1] CN(C[C@@H]1CCCOC1)c1cncc(n1)[*:1]
COC(=O)c1cncc(N(C)C[C@@H]2CCCOC2)n1 C1COC[C@@H](C1)[*:1] COC(=O)c1cncc(n1)N(C)C[*:1]
COCCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 Fc1ccc(cc1)[*:1] COCCC(=O)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
COCCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 Fc1ccc(cc1)C[*:1] COCCC(=O)N1CC[C@]2(CCCN(C2=O)[*:1])C1
COCCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 COC[*:1] O=C(C[*:1])N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1
COCCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 COCC[*:1] O=C1N(CCC[C@]12CCN(C2)C(=O)[*:1])Cc1ccc(F)cc1
O=C([O-])c1csc(-c2ccnc(N3CCOCC3)c2)n1 O=C([O-])[*:1] c1cc(cc(n1)N1CCOCC1)-c1nc(cs1)[*:1]
O=C([O-])c1csc(-c2ccnc(N3CCOCC3)c2)n1 C1CN(CCO1)[*:1] O=C([O-])c1csc(n1)-c1ccnc(c1)[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)Nc2cc(C(=O)N(C)C)ccc2F)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](NC(=O)Nc1cc(ccc1F)C(=O)N(C)C)[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)Nc2cc(C(=O)N(C)C)ccc2F)c1 CN(C)C(=O)[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)Nc1cc(ccc1F)[*:1]
Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] Cc1ccc(o1)[C@H](O)CNC(=O)C(=O)N[*:1]
Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@@H](O)[*:1])C(=O)Nc1cccc(Cl)c1
CCC[C@H]1C[C@]1(O)c1cc(OC)cc(OC)c1 CCC[*:1] COc1cc(cc(c1)[C@@]1(O)C[C@@H]1[*:1])OC
Cc1ccc(N2C[C@H](C(=O)NC3CCCCCC3)CC2=O)cc1 C1CCCC(CC1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)NC3CCCCCC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCCCCC1)[C@@H]1CC(=O)N(C1)[*:1]
C[C@H]1CN(C(=O)c2ccc(SCc3cccnc3)cc2)[C@H](C)CO1 c1cncc(c1)[*:1] C[C@H]1CN(C(=O)c2ccc(cc2)SC[*:1])[C@H](C)CO1
C[C@H]1CN(C(=O)c2ccc(SCc3cccnc3)cc2)[C@H](C)CO1 c1cncc(c1)CS[*:1] C[C@H]1CN(C(=O)c2ccc(cc2)[*:1])[C@H](C)CO1
C[C@H]1CN(C(=O)c2ccc(SCc3cccnc3)cc2)[C@H](C)CO1 c1cncc(c1)C[*:1] C[C@H]1CN(C(=O)c2ccc(cc2)S[*:1])[C@H](C)CO1
CC1=C(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CCCO1 NC(=O)[*:1] CC1OCCCC=1C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
O=C(Cc1ccccc1Cl)NCC[NH+]1CCC(c2cccs2)CC1 c1csc(c1)[*:1] O=C(Cc1ccccc1Cl)NCC[NH+]1CCC(CC1)[*:1]
O=C(Cc1ccccc1Cl)NCC[NH+]1CCC(c2cccs2)CC1 Clc1ccccc1[*:1] O=C(C[*:1])NCC[NH+]1CCC(CC1)c1cccs1
O=C(Cc1ccccc1Cl)NCC[NH+]1CCC(c2cccs2)CC1 Clc1ccccc1C[*:1] O=C(NCC[NH+]1CCC(CC1)c1cccs1)[*:1]
Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ncc(C)s2)o1 Cc1ccc(o1)[*:1] Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)[*:1])s1
Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ncc(C)s2)o1 Cc1cnc(s1)[*:1] Cc1ccc(o1)C(=O)N1CSC[C@H]1C(=O)N[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(C)C C1CC1[*:1] CC(=O)N[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1])C(C)C
CC(=O)N[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(C)C CC(=O)N[C@@H](C(C)C)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(C)C O=S(=O)(NC1CC1)[*:1] CC(=O)N[C@@H](C(=O)Nc1ccc(cc1)[*:1])C(C)C
COc1ccc(OCCNC(=O)N2CCN(c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCCO[*:1])N1CCN(CC1)c1ccccc1
COc1ccc(OCCNC(=O)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)OCCNC(=O)N1CCN(CC1)[*:1]
CCc1sc(C(=O)N/N=C(/C)c2ccc(N3CCOCC3)c(F)c2)cc1C CCc1sc(cc1C)[*:1] C/C(=N/NC(=O)[*:1])c1ccc(c(F)c1)N1CCOCC1
CCc1sc(C(=O)N/N=C(/C)c2ccc(N3CCOCC3)c(F)c2)cc1C C1CN(CCO1)[*:1] CCc1sc(cc1C)C(=O)N/N=C(/C)c1ccc(c(F)c1)[*:1]
CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]([C@H](O)c1ccc(Cl)cc1)N[C@@]21C(=O)Nc2ccccc21 CC(C)(C)[*:1] O=C1[C@H]2[C@@H](C(=O)N1[*:1])[C@@H](N[C@@]21C(=O)Nc2ccccc21)[C@H](O)c1ccc(Cl)cc1
CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]([C@H](O)c1ccc(Cl)cc1)N[C@@]21C(=O)Nc2ccccc21 O[C@H](c1ccc(Cl)cc1)[*:1] CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N[C@@]21C(=O)Nc2ccccc21)[*:1]
CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]([C@H](O)c1ccc(Cl)cc1)N[C@@]21C(=O)Nc2ccccc21 Clc1ccc(cc1)[*:1] CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](N[C@@]21C(=O)Nc2ccccc21)[C@H](O)[*:1]
CCOc1cc2c(cc1C[NH+]1CCCC1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)C[NH+]1CCCC1)[*:1]
CCN1C[C@H](C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)CC1=O CCN1C[C@H](CC1=O)[*:1] COc1ccccc1N1CC[C@@H](CNC(=O)[*:1])C1
CCN1C[C@H](C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)CC1=O COc1ccccc1[*:1] CCN1C[C@@H](CC1=O)C(=O)NC[C@@H]1CCN(C1)[*:1]
CC[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)[*:1]
CCOc1cc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)ccn1 CCO[*:1] Cc1cn(nc1NC(=O)c1ccnc(c1)[*:1])-c1ccccc1Cl
CCOc1cc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)ccn1 Clc1ccccc1[*:1] CCOc1cc(ccn1)C(=O)Nc1nn(cc1C)[*:1]
CCCn1c(CNc2ccc(C#N)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 CCC[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2[*:1]
CCCn1c(CNc2ccc(C#N)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] CCCn1c(CNc2ccc(C#N)cc2)nc2cc(ccc21)[*:1]
CCCn1c(CNc2ccc(C#N)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 N#Cc1ccc(cc1)[*:1] CCCn1c(CN[*:1])nc2cc(ccc21)S(=O)(=O)N(C)C
CCCn1c(CNc2ccc(C#N)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 N#Cc1ccc(cc1)N[*:1] CCCn1c(C[*:1])nc2cc(ccc21)S(=O)(=O)N(C)C
CCc1cccc(C)c1NC(=O)[C@H]1CCCN(c2nccc(C)n2)C1 Cc1ccnc(n1)[*:1] CCc1cccc(C)c1NC(=O)[C@H]1CCCN(C1)[*:1]
Cc1ccc(O[C@H](C)CNC(=O)c2ccc[n+]([O-])c2)cc1 [O-][n+]1cccc(c1)[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)[*:1]
Cc1ccc(O[C@H](C)CNC(=O)c2ccc[n+]([O-])c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccc[n+]([O-])c1)O[*:1]
Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1nccs1 c1csc(n1)[*:1] Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1[*:1]
CC(C)=C[C@@H]1[C@@H](C(=O)NCCCS(C)(=O)=O)C1(C)C CS(=O)(=O)C[*:1] CC(C)=C[C@@H]1[C@@H](C(=O)NCC[*:1])C1(C)C
CC(C)=C[C@@H]1[C@@H](C(=O)NCCCS(C)(=O)=O)C1(C)C CC(C)=C[*:1] CC1(C)[C@H](C(=O)NCCCS(C)(=O)=O)[C@H]1[*:1]
CC(C)=C[C@@H]1[C@@H](C(=O)NCCCS(C)(=O)=O)C1(C)C CS(=O)(=O)[*:1] CC(C)=C[C@@H]1[C@@H](C(=O)NCCC[*:1])C1(C)C
CC(C)=C[C@@H]1[C@@H](C(=O)NCCCS(C)(=O)=O)C1(C)C CS(=O)(=O)CC[*:1] CC(C)=C[C@@H]1[C@@H](C(=O)NC[*:1])C1(C)C
CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)[C@H]2CCCO2)C1 CCNC(=O)[*:1] O=C([C@H]1CCCO1)N1CCC[C@@](Cc2ccccc2-c2ccccc2)(C1)[*:1]
CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)[C@H]2CCCO2)C1 c1ccc(cc1)[*:1] CCNC(=O)[C@@]1(CCCN(C1)C(=O)[C@H]1CCCO1)Cc1ccccc1[*:1]
COC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] COC(=O)c1cccc(c1)NC(=O)C[C@@H]1C(=O)NCCN1C(=O)[*:1]
COC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2ccc(F)cc2F)c1 COC(=O)c1cccc(c1)[*:1] O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1F)N[*:1]
COC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2ccc(F)cc2F)c1 COC(=O)[*:1] O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1F)Nc1cccc(c1)[*:1]
O=C(NCCSc1nc2ncccn2n1)OCC(F)(F)F FC(F)(F)[*:1] O=C(NCCSc1nc2ncccn2n1)OC[*:1]
O=C(NCCSc1nc2ncccn2n1)OCC(F)(F)F FC(F)(F)C[*:1] O=C(NCCSc1nc2ncccn2n1)O[*:1]
O=C(NC[C@H]1CCC[C@@H]1O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCC[C@@H]1O)c1cnc(cn1)O[*:1]
O=C(NC[C@H]1CCC[C@@H]1O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] O=C(NC[C@H]1CCC[C@@H]1O)c1cnc(cn1)[*:1]
Cc1nc(C)c(C[S@](=O)Cc2csc(-c3ccoc3)n2)s1 Cc1nc(C)c(s1)[*:1] O=[S@](Cc1csc(n1)-c1ccoc1)C[*:1]
Cc1nc(C)c(C[S@](=O)Cc2csc(-c3ccoc3)n2)s1 c1cc(co1)[*:1] Cc1nc(C)c(C[S@](=O)Cc2csc(n2)[*:1])s1
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccco3)cc2)cc1 c1coc(c1)C[*:1] N#Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)N[*:1]
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccco3)cc2)cc1 c1coc(c1)[*:1] N#Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)NC[*:1]
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccco3)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCc1ccco1)Nc1ccc(cc1)O[*:1]
C[C@@](O)(CNC(=O)NCCN1CCOCC1)c1ccsc1 C1CN(CCO1)[*:1] C[C@@](O)(CNC(=O)NCC[*:1])c1ccsc1
C[C@@](O)(CNC(=O)NCCN1CCOCC1)c1ccsc1 C1CN(CCO1)C[*:1] C[C@@](O)(CNC(=O)NC[*:1])c1ccsc1
C[C@@](O)(CNC(=O)NCCN1CCOCC1)c1ccsc1 c1cc(cs1)[*:1] C[C@@](O)(CNC(=O)NCCN1CCOCC1)[*:1]
Cc1noc(C)c1C[C@H](C)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1noc(C)c1C[C@H](C)Nc1nc2ccccn2c(=O)c1[*:1]
Cc1noc(C)c1C[C@H](C)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] Cc1noc(C)c1[*:1] C[C@@H](C[*:1])Nc1nc2ccccn2c(=O)c1[N+](=O)[O-]
Cc1noc(C)c1C[C@H](C)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] Cc1noc(C)c1C[*:1] C[C@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])[*:1]
Cc1cc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n2ncnc2n1 Clc1ccc(cc1)[*:1] Cc1cc(N[C@H]2CCO[C@H]2[*:1])n2ncnc2n1
COc1ccc(F)cc1NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 FC(F)(F)[*:1] COc1ccc(F)cc1NC(=O)[C@@H]1CCCN(C1)C[*:1]
COc1ccc(F)cc1NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] COc1ccc(F)cc1NC(=O)[C@@H]1CCCN(C1)[*:1]
Cc1ccc(S(=O)(=O)/N=c2/[nH]c(C)c(NC(=O)NCC(=O)c3ccccc3)s2)cc1 O=C(C[*:1])c1ccccc1 Cc1ccc(cc1)S(=O)(=O)/N=c1/[nH]c(C)c(NC(=O)N[*:1])s1
Cc1ccc(S(=O)(=O)/N=c2/[nH]c(C)c(NC(=O)NCC(=O)c3ccccc3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1[nH]/c(=N/S(=O)(=O)[*:1])sc1NC(=O)NCC(=O)c1ccccc1
Cc1ccc(S(=O)(=O)/N=c2/[nH]c(C)c(NC(=O)NCC(=O)c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=c1/[nH]c(C)c(NC(=O)NCC(=O)[*:1])s1
Cc1ccc(S(=O)(=O)/N=c2/[nH]c(C)c(NC(=O)NCC(=O)c3ccccc3)s2)cc1 O=C(c1ccccc1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=c1/[nH]c(C)c(NC(=O)NC[*:1])s1
O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccccc1)N1CCN(CC1)C[*:1]
O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccccc1)N1CCN(CC1)[*:1]
CCc1ccc(-c2noc3c(=O)n(CCC(=O)Nc4cc(C)ccc4C)cnc23)cc1 Cc1ccc(C)c(c1)[*:1] CCc1ccc(cc1)-c1noc2c(=O)n(cnc12)CCC(=O)N[*:1]
CCc1ccc(-c2noc3c(=O)n(CCC(=O)Nc4cc(C)ccc4C)cnc23)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CCn1cnc2c(noc2c1=O)[*:1]
N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccc(F)cc1 Clc1cccc(c1)[*:1] N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1[*:1])c1ccc(F)cc1
N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccc(F)cc1 N#CC[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(C[*:1])c1ccc(F)cc1
N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)[*:1]
N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccc(F)cc1 N#CCC[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N(c1ccc(F)cc1)[*:1]
C[NH+](C)[C@H](CNc1cc(C(N)=O)ccn1)c1ccc(Cl)cc1 NC(=O)[*:1] C[NH+](C)[C@H](CNc1cc(ccn1)[*:1])c1ccc(Cl)cc1
C[NH+](C)[C@H](CNc1cc(C(N)=O)ccn1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNc1cc(ccn1)C(N)=O)[*:1]
NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cc(Br)ccc2F)cc1 NS(=O)(=O)[*:1] O=C(/C=C/c1cc(Br)ccc1F)Nc1ccc(cc1)[*:1]
CC1(C)CCC[C@H]1NC(=O)Nc1ccc(F)c(C(N)=O)c1 NC(=O)[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1ccc(F)c(c1)[*:1]
Cn1ncc2c1CCC[C@H]2Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] Cn1ncc2c1CCC[C@H]2Nc1ccccc1[*:1]
O=C(CSc1ccccc1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 c1ccc(cc1)S[*:1] O=C(C[*:1])Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2
O=C(CSc1ccccc1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 c1ccc(cc1)SC[*:1] O=C(Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2)[*:1]
O=C(CSc1ccccc1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 c1ccc(cc1)[*:1] O=C(CS[*:1])Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2
COC(=O)[C@H](Cc1ccccc1)N1C(=O)CCC(C(=O)C(F)(F)F)=C1C COC(=O)[*:1] CC1=C(CCC(=O)N1[C@@H](Cc1ccccc1)[*:1])C(=O)C(F)(F)F
COC(=O)[C@H](Cc1ccccc1)N1C(=O)CCC(C(=O)C(F)(F)F)=C1C O=C(C(F)(F)F)[*:1] COC(=O)[C@H](Cc1ccccc1)N1C(=O)CCC(=C1C)[*:1]
COC(=O)[C@H](Cc1ccccc1)N1C(=O)CCC(C(=O)C(F)(F)F)=C1C FC(F)(F)[*:1] COC(=O)[C@H](Cc1ccccc1)N1C(=O)CCC(C(=O)[*:1])=C1C
COC(=O)[C@H](Cc1ccccc1)N1C(=O)CCC(C(=O)C(F)(F)F)=C1C c1ccc(cc1)[*:1] COC(=O)[C@H](C[*:1])N1C(=O)CCC(C(=O)C(F)(F)F)=C1C
COC(=O)[C@H](Cc1ccccc1)N1C(=O)CCC(C(=O)C(F)(F)F)=C1C c1ccc(cc1)C[*:1] COC(=O)[C@H](N1C(=O)CCC(C(=O)C(F)(F)F)=C1C)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CCC(OCc2ccccc2F)CC1 Clc1ccc(cc1)[*:1] O=S(=O)(N1CCC(CC1)OCc1ccccc1F)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC(CC1)OC[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC(CC1)O[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)CCCC C=CC[*:1] CCCCC(=O)N(Cc1cccc(C#N)c1)[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)CCCC CCCC[*:1] C=CCN(Cc1cccc(C#N)c1)C(=O)[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)CCCC CCC[*:1] C=CCN(Cc1cccc(C#N)c1)C(=O)C[*:1]
COc1ccc(/C=C/C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1F c1ccc(cc1)C[*:1] COc1ccc(/C=C/C(=O)NC[C@H]2CN(CCO2)[*:1])cc1F
COc1ccc(/C=C/C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1F COc1ccc(cc1F)[*:1] O=C(C=C[*:1])NC[C@H]1CN(CCO1)Cc1ccccc1
COc1ccc(/C=C/C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1F c1ccc(cc1)[*:1] COc1ccc(/C=C/C(=O)NC[C@H]2CN(CCO2)C[*:1])cc1F
C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1ccc2c(c1)OCO2 C1CC1[*:1] C[C@H](Sc1nnc(-c2cccnc2)n1[*:1])C(=O)Nc1ccc2OCOc2c1
C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1ccc2c(c1)OCO2 c1cncc(c1)[*:1] C[C@H](Sc1nnc(n1C1CC1)[*:1])C(=O)Nc1ccc2OCOc2c1
C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N[*:1]
COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1OC c1cc2OCOc2cc1[*:1] COc1ccc(cc1OC)NC(=O)Cc1csc(n1)NC(=O)[*:1]
COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1OC COc1ccc(cc1OC)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccc2OCOc2c1)N[*:1]
COC(=O)[C@@H]1CCN(C(=O)c2cncc(F)c2)c2ccccc21 COC(=O)[*:1] O=C(c1cncc(F)c1)N1CC[C@H](c2ccccc21)[*:1]
COC(=O)[C@@H]1CCN(C(=O)c2cncc(F)c2)c2ccccc21 Fc1cncc(c1)[*:1] COC(=O)[C@@H]1CCN(C(=O)[*:1])c2ccccc21
C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NC(=O)NC1CC1 Clc1cnc(O[*:1])c(Cl)c1 C[C@@H](Nc1ccc(cc1)[*:1])C(=O)NC(=O)NC1CC1
C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NC(=O)NC1CC1 Clc1cnc(c(Cl)c1)[*:1] C[C@@H](Nc1ccc(cc1)O[*:1])C(=O)NC(=O)NC1CC1
C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NC(=O)NC1CC1 C1CC1[*:1] C[C@@H](Nc1ccc(cc1)Oc1ncc(Cl)cc1Cl)C(=O)NC(=O)N[*:1]
C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)NC(=O)NC1CC1 O=C(NC(=O)[*:1])NC1CC1 C[C@@H](Nc1ccc(cc1)Oc1ncc(Cl)cc1Cl)[*:1]
CCN(C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)[C@@H]1CCCN(C1)C(=O)Nc1cccc(C)c1)[*:1]
CCN(C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)C1CCCCC1 Cc1cccc(c1)[*:1] CCN(C(=O)[C@@H]1CCCN(C1)C(=O)N[*:1])C1CCCCC1
C=CCOc1ccc(CN2CCOC3(CCC3)C2)cc1 C=CC[*:1] c1cc(ccc1CN1CCOC2(CCC2)C1)O[*:1]
C=CCOc1ccc(CN2CCOC3(CCC3)C2)cc1 C=CCO[*:1] c1cc(ccc1CN1CCOC2(CCC2)C1)[*:1]
CCCC[NH+]1CCC(NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC1 FC(F)[*:1] CCCC[NH+]1CCC(CC1)NC(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CCCC[NH+]1CCC(NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC1 CCC[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)NC1CC[NH+](CC1)C[*:1]
CCCC[NH+]1CCC(NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC1 CCCC[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)NC1CC[NH+](CC1)[*:1]
CCCCSc1nc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C CCCC[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccccc1)S[*:1]
CCCCSc1nc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C c1ccc(cc1)[*:1] CCCCSc1nc(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
CCCCSc1nc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C CCCCS[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccccc1)[*:1]
CCCCSc1nc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C CCC[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccccc1)SC[*:1]
COC(=O)c1ccoc1COc1cccc2c1N(C(=O)[C@@H]1C[C@H]1C)CCC2 COC(=O)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCCc2cccc(OCc3occc3[*:1])c21
COC(=O)c1ccoc1COc1cccc2c1N(C(=O)[C@@H]1C[C@H]1C)CCC2 COC(=O)c1ccoc1[*:1] C[C@@H]1C[C@H]1C(=O)N1CCCc2cccc(OC[*:1])c21
CCCC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC COC(=O)[*:1] CCCC(=O)Nc1sc(C(=O)N(C)C)c(C)c1[*:1]
CCCC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC CCC[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)N(C)C)c1C
CCCC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC CN(C)C(=O)[*:1] CCCC(=O)Nc1sc(c(C)c1C(=O)OC)[*:1]
CCCC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC CCCC(=O)N[*:1] COC(=O)c1c(sc(C(=O)N(C)C)c1C)[*:1]
CC(C)COC(=O)/N=C1\N=[NH+][C@H](c2ccccc2Br)S1 CC(C)C[*:1] O=C(/N=C1\N=[NH+][C@@H](S1)c1ccccc1Br)O[*:1]
CC(C)COC(=O)/N=C1\N=[NH+][C@H](c2ccccc2Br)S1 CC(C)[*:1] O=C(/N=C1\N=[NH+][C@@H](S1)c1ccccc1Br)OC[*:1]
Cn1cc(NC(=O)c2csc3ccccc23)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(NC(=O)c2csc3ccccc23)c(n1)[*:1]
C=CCN(CC=C)C(=O)N[C@@H]1CC[C@H](SCC)C1 C=CC[*:1] C=CCN(C(=O)N[C@@H]1CC[C@@H](C1)SCC)[*:1]
C=CCN(CC=C)C(=O)N[C@@H]1CC[C@H](SCC)C1 CCS[*:1] C=CCN(CC=C)C(=O)N[C@@H]1CC[C@H](C1)[*:1]
Cc1nc(C(=O)N[C@@H](CO)c2ccco2)nn1-c1ccccc1C(C)C c1coc(c1)[*:1] Cc1nc(nn1-c1ccccc1C(C)C)C(=O)N[C@@H](CO)[*:1]
Cc1nc(C(=O)N[C@@H](CO)c2ccco2)nn1-c1ccccc1C(C)C CC(C)[*:1] Cc1nc(nn1-c1ccccc1[*:1])C(=O)N[C@@H](CO)c1ccco1
COc1ccc(Oc2ccc(NC(=O)c3cnn(C(C)C)c3C)cn2)cc1 COc1ccc(cc1)O[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccc(nc1)[*:1]
COc1ccc(Oc2ccc(NC(=O)c3cnn(C(C)C)c3C)cn2)cc1 Cc1c(cnn1C(C)C)[*:1] COc1ccc(cc1)Oc1ccc(cn1)NC(=O)[*:1]
COc1ccc(Oc2ccc(NC(=O)c3cnn(C(C)C)c3C)cn2)cc1 CC(C)[*:1] COc1ccc(cc1)Oc1ccc(cn1)NC(=O)c1cnn(c1C)[*:1]
COc1ccc(Oc2ccc(NC(=O)c3cnn(C(C)C)c3C)cn2)cc1 COc1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccc(nc1)O[*:1]
CC[C@H](O)c1ccn(Cc2ccn(C(C)C)n2)c1 CC[C@H](O)[*:1] CC(C)n1ccc(Cn2ccc(c2)[*:1])n1
CC[C@H](O)c1ccn(Cc2ccn(C(C)C)n2)c1 CC(C)[*:1] CC[C@H](O)c1ccn(c1)Cc1ccn(n1)[*:1]
C[C@H]1COc2ccccc2N1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] C[C@H]1COc2ccccc2N1C(=O)Cc1c[nH]c2ccc(cc12)[*:1]
CCOc1ccc(NC(=O)Nc2ccc(I)cc2)cc1 CCO[*:1] O=C(Nc1ccc(I)cc1)Nc1ccc(cc1)[*:1]
O=C(CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1)NCC[NH+]1CCCCC1 c1cnc2sc(nc2c1)[*:1] O=C(CCC(=O)N1CCCN(CC1)[*:1])NCC[NH+]1CCCCC1
CC[C@H](C)C[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 CC[C@H](C)[*:1] Fc1ccc(cc1F)N1CC[C@H](C[NH2+]C[*:1])C1
CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 CCNC(=O)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1c([C@H](C)[NH2+]Cc2ccc(OCC(N)=O)cc2)oc2ccccc12 NC(=O)C[*:1] Cc1c(oc2ccccc12)[C@H](C)[NH2+]Cc1ccc(cc1)O[*:1]
Cc1c([C@H](C)[NH2+]Cc2ccc(OCC(N)=O)cc2)oc2ccccc12 NC(=O)[*:1] Cc1c(oc2ccccc12)[C@H](C)[NH2+]Cc1ccc(cc1)OC[*:1]
Cc1c([C@H](C)[NH2+]Cc2ccc(OCC(N)=O)cc2)oc2ccccc12 NC(=O)CO[*:1] Cc1c(oc2ccccc12)[C@H](C)[NH2+]Cc1ccc(cc1)[*:1]
COc1ccccc1C(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1 COc1ccccc1[*:1] C[C@H](OC(=O)[*:1])c1nc2ccccc2c(=O)[nH]1
CC(C)NS(=O)(=O)[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 CC(C)[*:1] O=S(=O)(N[*:1])[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1
CC(C)NS(=O)(=O)[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 CC(C)NS(=O)(=O)[*:1] Fc1ccc(CN2CC[C@@H](C2)[*:1])c(c1)C(F)(F)F
CC(C)NS(=O)(=O)[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 FC(F)(F)[*:1] CC(C)NS(=O)(=O)[C@H]1CCN(Cc2ccc(F)cc2[*:1])C1
CCCn1nnnc1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(C)cc1F CCCn1nnnc1[*:1] Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)C[*:1])c(F)c1
CCCn1nnnc1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(C)cc1F Cc1ccc(c(F)c1)[*:1] CCCn1nnnc1CS(=O)(=O)[C@@H](C)C(=O)N[*:1]
CCCn1nnnc1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(C)cc1F CCC[*:1] Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2nnnn2[*:1])c(F)c1
CC(C)(C)c1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)c2c1 CC(C)(C)[*:1] O=C(Cc1coc2ccc(cc12)[*:1])Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1
C[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)[*:1])C1
Cc1cc(NC(=O)CC(C)C)c(C)cc1I CC(C)[*:1] Cc1cc(NC(=O)C[*:1])c(C)cc1I
Cc1cc(NC(=O)CC(C)C)c(C)cc1I CC(C)C[*:1] Cc1cc(NC(=O)[*:1])c(C)cc1I
Cc1nc(COC(=O)CCCn2ccc3cc(Cl)ccc32)oc1C Cc1nc(C[*:1])oc1C O=C(CCCn1ccc2cc(Cl)ccc21)O[*:1]
Cc1nc(COC(=O)CCCn2ccc3cc(Cl)ccc32)oc1C Cc1nc(oc1C)[*:1] O=C(CCCn1ccc2cc(Cl)ccc21)OC[*:1]
Cc1nc2ccccc2c2c(NC(=O)CCN3C(=O)CCC3=O)c3ccccc3n12 O=C1CCC(=O)N1C[*:1] Cc1nc2ccccc2c2c(NC(=O)C[*:1])c3ccccc3n12
Cc1nc2ccccc2c2c(NC(=O)CCN3C(=O)CCC3=O)c3ccccc3n12 O=C1CCC(=O)N1CC[*:1] Cc1nc2ccccc2c2c(NC(=O)[*:1])c3ccccc3n12
Cc1nc2ccccc2c2c(NC(=O)CCN3C(=O)CCC3=O)c3ccccc3n12 O=C1CCC(=O)N1[*:1] Cc1nc2ccccc2c2c(NC(=O)CC[*:1])c3ccccc3n12
CC(C)C[C@@H](C[NH3+])c1nc(Cc2ccc(Br)cc2)no1 CC(C)C[*:1] [NH3+]C[C@@H](c1nc(Cc2ccc(Br)cc2)no1)[*:1]
CC(C)C[C@@H](C[NH3+])c1nc(Cc2ccc(Br)cc2)no1 CC(C)[*:1] [NH3+]C[C@H](C[*:1])c1nc(Cc2ccc(Br)cc2)no1
O=C(Nc1cc(-n2cccc2)ccc1F)C(=O)N[C@H]1CC=CCC1 c1ccn(c1)[*:1] O=C(Nc1cc(ccc1F)[*:1])C(=O)N[C@H]1CC=CCC1
CNC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1CCCC[C@H]1C(C)C CC(C)[*:1] CNC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1CCCC[C@@H]1[*:1]
CNC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1CCCC[C@H]1C(C)C CNC(=O)[*:1] CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2ccc(-c3csnn3)cc2)C1 c1snnc1[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1ccc(cc1)[*:1]
Nc1ncc(CN2CC(=O)N3CCCC[C@H]3C2=O)s1 Nc1ncc(s1)[*:1] O=C1[C@@H]2CCCCN2C(=O)CN1C[*:1]
COCC[C@H](C)NC(=O)[C@H](C)Sc1ccccn1 COCC[*:1] C[C@H](Sc1ccccn1)C(=O)N[C@@H](C)[*:1]
COCC[C@H](C)NC(=O)[C@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] COCC[C@H](C)NC(=O)[C@H](C)S[*:1]
COCC[C@H](C)NC(=O)[C@H](C)Sc1ccccn1 COCC[C@H](C)[*:1] C[C@H](Sc1ccccn1)C(=O)N[*:1]
COCC[C@H](C)NC(=O)[C@H](C)Sc1ccccn1 COC[*:1] C[C@@H](C[*:1])NC(=O)[C@H](C)Sc1ccccn1
CC[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)c1cccs1 O=C([O-])[*:1] CC[C@@H](NC(=O)N1CCO[C@@H](C1)C[*:1])c1cccs1
CC[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)c1cccs1 O=C([O-])C[*:1] CC[C@@H](NC(=O)N1CCO[C@H](C1)[*:1])c1cccs1
CC[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)[*:1]
CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccn(C)n3)cc2N1 Cn1ccc(n1)[*:1] CC[C@@H]1C[C@@H](n2nc(cc2N1)[C@H]1CCCN1C(=O)[*:1])C(F)(F)F
CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccn(C)n3)cc2N1 FC(F)(F)[*:1] CC[C@@H]1C[C@H](n2nc(cc2N1)[C@H]1CCCN1C(=O)c1ccn(C)n1)[*:1]
CCc1onc(C)c1NC(=O)NC[C@@](C)(O)[C@@H](C)CC CC[C@H](C)[*:1] CCc1onc(C)c1NC(=O)NC[C@@](C)(O)[*:1]
Cc1cc(SCC(=O)[O-])c2cc(C(F)(F)F)ccc2n1 FC(F)(F)[*:1] Cc1cc(SCC(=O)[O-])c2cc(ccc2n1)[*:1]
Cc1cc(SCC(=O)[O-])c2cc(C(F)(F)F)ccc2n1 O=C([O-])C[*:1] Cc1cc(S[*:1])c2cc(ccc2n1)C(F)(F)F
Cc1cc(SCC(=O)[O-])c2cc(C(F)(F)F)ccc2n1 O=C([O-])CS[*:1] Cc1cc(c2cc(ccc2n1)C(F)(F)F)[*:1]
Cc1cc(SCC(=O)[O-])c2cc(C(F)(F)F)ccc2n1 O=C([O-])[*:1] Cc1cc(SC[*:1])c2cc(ccc2n1)C(F)(F)F
c1ccc(OC2CCN(Cc3cnc(-c4ccccn4)s3)CC2)cc1 c1ccc(cc1)O[*:1] c1ccc(nc1)-c1ncc(CN2CCC(CC2)[*:1])s1
c1ccc(OC2CCN(Cc3cnc(-c4ccccn4)s3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)-c1ncc(CN2CCC(CC2)O[*:1])s1
c1ccc(OC2CCN(Cc3cnc(-c4ccccn4)s3)CC2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)OC1CCN(CC1)Cc1cnc(s1)[*:1]
CCc1nn(C)cc1CNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC c1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)[C@@H]([C@@H](C)CC)[*:1]
CCc1nn(C)cc1CNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC CC[C@H](C)[*:1] CCc1nn(C)cc1CNC(=O)[C@@H](c1ccccc1)[*:1]
COc1ccc([C@H]2CO2)cc1 C1O[C@H]1[*:1] COc1ccc(cc1)[*:1]
Cc1ncccc1NC(=O)CCC(=O)c1ccc2c(c1)OCCO2 Cc1ncccc1[*:1] O=C(CCC(=O)c1ccc2OCCOc2c1)N[*:1]
CC(C)NC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(F)c(F)c2)C1 CC(C)[*:1] C[C@H](C(=O)NC(=O)N[*:1])N1CCO[C@@H](C1)c1ccc(F)c(F)c1
CC(C)NC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] CC(C)NC(=O)NC(=O)[C@@H](C)N1CCO[C@H](C1)[*:1]
CCC[NH2+]C/C(C)=C/c1c(F)cccc1F CCC[*:1] C/C(=C\c1c(F)cccc1F)C[NH2+][*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)c2cccc(F)c2)C1 CCNS(=O)(=O)[*:1] C[C@H](C(=O)N1CC[C@H](C1)[*:1])c1cccc(F)c1
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)[C@@H](C)[*:1]
CC[C@H](NC(=O)N1CCC(C)(C)C1)c1ccccc1OC(F)F FC(F)O[*:1] CC[C@H](NC(=O)N1CCC(C)(C)C1)c1ccccc1[*:1]
CC[C@H](NC(=O)N1CCC(C)(C)C1)c1ccccc1OC(F)F FC(F)[*:1] CC[C@H](NC(=O)N1CCC(C)(C)C1)c1ccccc1O[*:1]
O=C(Cn1nnc2ccccc2c1=O)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=C(Cn1nnc2ccccc2c1=O)N1CC[C@H](C1)[*:1]
O=C(Cn1nnc2ccccc2c1=O)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Cn1nnc2ccccc2c1=O)N1CC[C@@H](C1)N[*:1]
C[C@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 C[C@H]1OCC[C@H]1[*:1] O=C(N1CCC[C@@H](C1)C[NH+]1CCCCCC1)[*:1]
CC[C@@H](C)Oc1ccc(C(=O)N[C@H](CO)c2cc(F)c(F)c(F)c2)cc1 CC[C@@H](C)[*:1] O=C(N[C@H](CO)c1cc(F)c(F)c(F)c1)c1ccc(cc1)O[*:1]
CC[C@@H](C)Oc1ccc(C(=O)N[C@H](CO)c2cc(F)c(F)c(F)c2)cc1 CC[C@@H](C)O[*:1] O=C(N[C@H](CO)c1cc(F)c(F)c(F)c1)c1ccc(cc1)[*:1]
N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3nc[nH]n3)CC2)cc1Cl c1nc(n[nH]1)[*:1] N#Cc1ccc(cc1Cl)NC(=O)CC[NH+]1CCC(CC1)[*:1]
CCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(-c2ccccc2C)nn1C Cc1ccccc1[*:1] CCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(nn1C)[*:1]
Cc1nc(CCCSc2nc3ccccc3c(=O)n2C)cs1 Cc1nc(cs1)C[*:1] Cn1c(nc2ccccc2c1=O)SCC[*:1]
Cc1nc(CCCSc2nc3ccccc3c(=O)n2C)cs1 Cc1nc(cs1)[*:1] Cn1c(nc2ccccc2c1=O)SCCC[*:1]
Cc1cc(-c2ccccc2)c2c(n1)sc1c(=O)n(CC(=O)Nc3ccc(Cl)cc3)cnc12 O=C(Nc1ccc(Cl)cc1)[*:1] Cc1cc(-c2ccccc2)c2c(n1)sc1c(=O)n(cnc12)C[*:1]
Cc1cc(-c2ccccc2)c2c(n1)sc1c(=O)n(CC(=O)Nc3ccc(Cl)cc3)cnc12 c1ccc(cc1)[*:1] Cc1cc(c2c(n1)sc1c(=O)n(cnc12)CC(=O)Nc1ccc(Cl)cc1)[*:1]
Cc1cc(-c2ccccc2)c2c(n1)sc1c(=O)n(CC(=O)Nc3ccc(Cl)cc3)cnc12 Clc1ccc(cc1)[*:1] Cc1cc(-c2ccccc2)c2c(n1)sc1c(=O)n(cnc12)CC(=O)N[*:1]
CCC1(CC)[C@@H](NC(=O)Nc2ncnn2C)[C@@H](C)[C@@H]1OC Cn1ncnc1[*:1] CCC1(CC)[C@@H](NC(=O)N[*:1])[C@@H](C)[C@@H]1OC
CCCCO[C@@H]1C[C@@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1(C)C CCCCO[*:1] CC1(C)[C@@H](C[C@H]1[*:1])NC(=O)c1cnc(s1)[C@@H]1CCCO1
CCCCO[C@@H]1C[C@@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1(C)C CCCC[*:1] CC1(C)[C@@H](C[C@H]1O[*:1])NC(=O)c1cnc(s1)[C@@H]1CCCO1
CCCCO[C@@H]1C[C@@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1(C)C CCC[*:1] CC1(C)[C@@H](C[C@H]1OC[*:1])NC(=O)c1cnc(s1)[C@@H]1CCCO1
CCCCO[C@@H]1C[C@@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1(C)C C1CO[C@@H](C1)[*:1] CCCCO[C@@H]1C[C@@H](NC(=O)c2cnc(s2)[*:1])C1(C)C
CC[C@@H](NC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1)c1ccncc1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)N[C@@H]1C[C@H](C)N(C1)[*:1])c1ccncc1
CC[C@@H](NC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N[C@@H]1C[C@H](C)N(C1)c1ccccc1)[*:1]
CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 CS(=O)(=O)N1CCC(CC1)[*:1] CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](C1)NC(=O)[*:1]
CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 c1ccc(cc1)[*:1] CC1(C)Cc2c(cnn2C[*:1])[C@@H](C1)NC(=O)C1CCN(CC1)S(C)(=O)=O
CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 c1ccc(cc1)C[*:1] CC1(C)Cc2c(cnn2[*:1])[C@@H](C1)NC(=O)C1CCN(CC1)S(C)(=O)=O
c1ccc(N(Cc2nc(-c3ccoc3)no2)CC2CC2)cc1 C1CC1[*:1] c1ccc(cc1)N(Cc1nc(no1)-c1ccoc1)C[*:1]
c1ccc(N(Cc2nc(-c3ccoc3)no2)CC2CC2)cc1 C1CC1C[*:1] c1ccc(cc1)N(Cc1nc(no1)-c1ccoc1)[*:1]
c1ccc(N(Cc2nc(-c3ccoc3)no2)CC2CC2)cc1 c1cc(co1)[*:1] c1ccc(cc1)N(Cc1nc(no1)[*:1])CC1CC1
c1ccc(N(Cc2nc(-c3ccoc3)no2)CC2CC2)cc1 c1ccc(cc1)[*:1] c1cc(co1)-c1noc(CN(CC2CC2)[*:1])n1
O=C(NCc1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(cc1)-n1cncn1
O=C(NCc1ccc(Cl)cc1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] O=C(NCc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cc(F)cc(F)c1 CC(C)[*:1] O=C(c1cc(F)cc(F)c1)N(C[C@H]1CCCCO1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cc(F)cc(F)c1 C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)c1cc(F)cc(F)c1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cc(F)cc(F)c1 C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)c1cc(F)cc(F)c1
C[C@H]1CCN(C(=O)Cn2c(SC(F)F)nc3ccccc32)C[C@@H]1O FC(F)S[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Cn1c(nc2ccccc21)[*:1]
C[C@H]1CCN(C(=O)Cn2c(SC(F)F)nc3ccccc32)C[C@@H]1O FC(F)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Cn1c(nc2ccccc21)S[*:1]
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2[*:1])c1ccccc1C(F)(F)F
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 FC(F)(F)c1ccccc1[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@@H]2c1cccc(c1)[N+](=O)[O-])[*:1]
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 FC(F)(F)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@@H]2c1cccc(c1)[N+](=O)[O-])c1ccccc1[*:1]
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@@H]2c1cccc(c1)[*:1])c1ccccc1C(F)(F)F
CC(C)(C)n1ncc2c(=O)[nH]c(N3CCC[C@@H](C(=O)NCC4CC4)C3)nc21 O=C(NCC1CC1)[*:1] CC(C)(C)n1ncc2c(=O)[nH]c(nc21)N1CCC[C@@H](C1)[*:1]
CC(C)(C)n1ncc2c(=O)[nH]c(N3CCC[C@@H](C(=O)NCC4CC4)C3)nc21 CC(C)(C)[*:1] O=C(NCC1CC1)[C@@H]1CCCN(C1)c1nc2c(cnn2[*:1])c(=O)[nH]1
CC(C)(C)n1ncc2c(=O)[nH]c(N3CCC[C@@H](C(=O)NCC4CC4)C3)nc21 C1CC1[*:1] CC(C)(C)n1ncc2c(=O)[nH]c(nc21)N1CCC[C@H](C1)C(=O)NC[*:1]
CC(C)(C)n1ncc2c(=O)[nH]c(N3CCC[C@@H](C(=O)NCC4CC4)C3)nc21 C1CC1C[*:1] CC(C)(C)n1ncc2c(=O)[nH]c(nc21)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1cc(F)ccc1CCNCc1ccncn1 c1cc(ncn1)[*:1] Cc1cc(F)ccc1CCNC[*:1]
CC[C@H]1CCCCN1C(=O)[C@H](C)Nc1cccc(OCc2ccccn2)c1 c1ccc(C[*:1])nc1 CC[C@H]1CCCCN1C(=O)[C@H](C)Nc1cccc(c1)O[*:1]
CC[C@H]1CCCCN1C(=O)[C@H](C)Nc1cccc(OCc2ccccn2)c1 c1ccc(CO[*:1])nc1 CC[C@H]1CCCCN1C(=O)[C@H](C)Nc1cccc(c1)[*:1]
CC[C@H]1CCCCN1C(=O)[C@H](C)Nc1cccc(OCc2ccccn2)c1 c1ccc(nc1)[*:1] CC[C@H]1CCCCN1C(=O)[C@H](C)Nc1cccc(c1)OC[*:1]
COC(=O)N1CCN(C(=O)Nc2ccccc2OCc2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)N1CCN(CC1)C(=O)Nc1ccccc1OC[*:1]
COC(=O)N1CCN(C(=O)Nc2ccccc2OCc2ccccc2)CC1 c1ccc(cc1)CO[*:1] COC(=O)N1CCN(CC1)C(=O)Nc1ccccc1[*:1]
COC(=O)N1CCN(C(=O)Nc2ccccc2OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] COC(=O)N1CCN(CC1)C(=O)Nc1ccccc1O[*:1]
COc1ccc2c(c1OC)C(=O)O[C@@H]2Nn1cncn1 c1ncn(n1)N[*:1] COc1ccc2c(C(=O)O[C@H]2[*:1])c1OC
C[S@](=O)c1ccc(NC(=O)N[C@@H]2CCc3ccccc32)cc1 C[S@](=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CCc2ccccc21
CO[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] CO[C@H](CNC(=O)[C@H]1C[C@H]1[*:1])c1cccc(Cl)c1
CO[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)[*:1]
C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)[NH2+]1 C1CO[C@@H](C1)[*:1] C[C@@H]1CCC[C@H]([NH2+]1)C(=O)NC[*:1]
CC(=O)c1ccc(N2CCN(C(=O)Cn3cnc4c([nH]c5ccc(C)cc54)c3=O)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1ccc2[nH]c3c(=O)n(cnc3c2c1)CC(=O)N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)Cn3cnc4c([nH]c5ccc(C)cc54)c3=O)CC2)cc1 CC(=O)[*:1] Cc1ccc2[nH]c3c(=O)n(cnc3c2c1)CC(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
CSC[C@@H](C)NC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 CSC[C@@H](C)[*:1] O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)N[*:1]
CSC[C@@H](C)NC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 CSC[*:1] C[C@@H](NC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12)[*:1]
CCCCCCNc1cc(OC)ccc1F CCCCC[*:1] COc1ccc(F)c(c1)NC[*:1]
CCCCCCNc1cc(OC)ccc1F CCCC[*:1] COc1ccc(F)c(c1)NCC[*:1]
CCCCCCNc1cc(OC)ccc1F CCC[*:1] COc1ccc(F)c(c1)NCCC[*:1]
CC(C)C(=O)N1CCC[C@H]1C(=O)N1Cc2nn3nccnc3c2C1 CC(C)[*:1] O=C([C@@H]1CCCN1C(=O)[*:1])N1Cc2nn3nccnc3c2C1
O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)[*:1]
O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 Clc1ccc(cc1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1ccccc1
O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] O=C(NC[C@H](c1ccc(Cl)cc1)[*:1])c1ccccc1
CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1F)N(C(=O)CC)c1ccccc1-2 CCS[*:1] CCC(=O)N1c2ccccc2-c2nnc(nc2O[C@@H]1c1ccc(F)cc1F)[*:1]
CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1F)N(C(=O)CC)c1ccccc1-2 Fc1ccc(c(F)c1)[*:1] CCSc1nnc2-c3ccccc3N(C(=O)CC)[C@@H](Oc2n1)[*:1]
COc1ccc(/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)/C(=N/NC(=O)c1ccc(cc1)[*:1])c1ccccc1
COc1ccc(/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(NN=C(c1ccccc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1ccc(/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)/C(=N/NC(=O)[*:1])c1ccccc1
COc1ccc(/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)/C(=N/NC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(Cn1cncn1)N/N=C\c1cccc(Br)c1 c1ncn(C[*:1])n1 O=C(N/N=C\c1cccc(Br)c1)[*:1]
O=C(Cn1cncn1)N/N=C\c1cccc(Br)c1 c1ncn(n1)[*:1] O=C(C[*:1])N/N=C\c1cccc(Br)c1
C[C@H](NC(=O)N1CC[C@@H](C(N)=O)C1)c1cc(F)c(Cl)cc1Cl NC(=O)[*:1] C[C@H](NC(=O)N1CC[C@@H](C1)[*:1])c1cc(F)c(Cl)cc1Cl
Cc1cc(N2CCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CCC5)CC2)nc(C(C)C)n1 Cc1cc(nc(n1)C(C)C)[*:1] O=C(CCc1nc2sc3CCCc3c2c(=O)[nH]1)N1CCN(CC1)[*:1]
Cc1cc(N2CCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CCC5)CC2)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])N1CCN(CC1)C(=O)CCc1nc2sc3CCCc3c2c(=O)[nH]1
Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] C[C@H](C(=O)N[*:1])N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O
Cc1ccc(NC(=O)C(=O)NOCC(C)C)c(Cl)n1 CC(C)C[*:1] Cc1ccc(NC(=O)C(=O)NO[*:1])c(Cl)n1
Cc1ccc(NC(=O)C(=O)NOCC(C)C)c(Cl)n1 CC(C)[*:1] Cc1ccc(NC(=O)C(=O)NOC[*:1])c(Cl)n1
COc1ccccc1OC[C@@H]1CN(C(=O)[C@H](c2ccccc2)C(C)C)CCO1 COc1ccccc1[*:1] CC(C)[C@H](C(=O)N1CCO[C@H](CO[*:1])C1)c1ccccc1
COc1ccccc1OC[C@@H]1CN(C(=O)[C@H](c2ccccc2)C(C)C)CCO1 COc1ccccc1O[*:1] CC(C)[C@H](C(=O)N1CCO[C@@H](C1)C[*:1])c1ccccc1
COc1ccccc1OC[C@@H]1CN(C(=O)[C@H](c2ccccc2)C(C)C)CCO1 CC(C)[*:1] COc1ccccc1OC[C@@H]1CN(CCO1)C(=O)[C@H](c1ccccc1)[*:1]
COc1ccccc1OC[C@@H]1CN(C(=O)[C@H](c2ccccc2)C(C)C)CCO1 c1ccc(cc1)[*:1] COc1ccccc1OC[C@@H]1CN(CCO1)C(=O)[C@H](C(C)C)[*:1]
O=C(N[C@@H](CO)c1ccco1)c1ccc2cc(Br)ccc2c1 c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1ccc2cc(Br)ccc2c1
Cc1ccc(CNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])C(=O)Nc1cc(ccc1F)-n1cnnn1
Cc1ccc(CNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1cc(ccc1F)-n1cnnn1)C(=O)N[*:1]
Cc1ccc(CNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1 c1nnnn1[*:1] Cc1ccc(cc1)CNC(=O)C(=O)Nc1cc(ccc1F)[*:1]
COc1ccc(C=O)cc1Oc1cc(C)c([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] COc1ccc(C=O)cc1Oc1cc(C)c(cn1)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)C(=O)NCc2ccccc2)c1 CCC(=O)N[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)C(=O)NCc1ccccc1)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)N[C@@H](C)C(=O)N[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)N[C@@H](C)C(=O)NC[*:1]
Cc1ccc(-c2ccc(C(=O)C[C@]3(O)C(=O)Nc4ccc(C)cc43)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2NC(=O)[C@@](O)(CC(=O)c3ccc(o3)[*:1])c2c1
N#CCc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2F)cc1 Fc1ccccc1[*:1] N#CCc1ccc(cc1)S(=O)(=O)N[C@@H]1C[C@H]1[*:1]
N#CCc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2F)cc1 N#CC[*:1] O=S(=O)(N[C@@H]1C[C@@H]1c1ccccc1F)c1ccc(cc1)[*:1]
CCC(=O)Oc1ccc(C(=O)Nc2cccc(OC)c2)cc1 CCC(=O)O[*:1] COc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
COCCN1CCC[C@@]2(CCN(C(=O)CCc3nc(Cl)n[nH]3)C2)C1=O COC[*:1] O=C(CCc1nc(Cl)n[nH]1)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
COCCN1CCC[C@@]2(CCN(C(=O)CCc3nc(Cl)n[nH]3)C2)C1=O Clc1n[nH]c(C[*:1])n1 COCCN1CCC[C@@]2(CCN(C2)C(=O)C[*:1])C1=O
COCCN1CCC[C@@]2(CCN(C(=O)CCc3nc(Cl)n[nH]3)C2)C1=O Clc1n[nH]c(n1)[*:1] COCCN1CCC[C@@]2(CCN(C2)C(=O)CC[*:1])C1=O
COCCN1CCC[C@@]2(CCN(C(=O)CCc3nc(Cl)n[nH]3)C2)C1=O Clc1n[nH]c(CC[*:1])n1 COCCN1CCC[C@@]2(CCN(C2)C(=O)[*:1])C1=O
COCCN1CCC[C@@]2(CCN(C(=O)CCc3nc(Cl)n[nH]3)C2)C1=O COCC[*:1] O=C(CCc1nc(Cl)n[nH]1)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
Cc1nc(-n2nnc(C(=O)Nc3nc(C)c(C(=O)N(C)C)s3)c2C)sc1C CN(C)C(=O)[*:1] Cc1nc(sc1C)-n1nnc(C(=O)Nc2nc(C)c(s2)[*:1])c1C
Cc1nc(-n2nnc(C(=O)Nc3nc(C)c(C(=O)N(C)C)s3)c2C)sc1C Cc1nc(sc1C)[*:1] Cc1nc(NC(=O)c2nnn(c2C)[*:1])sc1C(=O)N(C)C
Cn1cc(-c2nc(C(=O)O[C@@H](c3ccccc3)c3ccccn3)cs2)cn1 c1ccc(nc1)[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)O[C@@H](c1ccccc1)[*:1]
Cn1cc(-c2nc(C(=O)O[C@@H](c3ccccc3)c3ccccn3)cs2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)O[C@@H](c1ccccn1)[*:1]
Cn1cc(-c2nc(C(=O)O[C@@H](c3ccccc3)c3ccccn3)cs2)cn1 Cn1cc(cn1)[*:1] O=C(O[C@@H](c1ccccc1)c1ccccn1)c1csc(n1)[*:1]
O=C(NCCOc1ccccc1)c1cc(Cl)c2c(c1)OCCCO2 c1ccc(cc1)[*:1] O=C(NCCO[*:1])c1cc(Cl)c2OCCCOc2c1
O=C(NCCOc1ccccc1)c1cc(Cl)c2c(c1)OCCCO2 c1ccc(cc1)OC[*:1] O=C(NC[*:1])c1cc(Cl)c2OCCCOc2c1
O=C(NCCOc1ccccc1)c1cc(Cl)c2c(c1)OCCCO2 c1ccc(cc1)O[*:1] O=C(NCC[*:1])c1cc(Cl)c2OCCCOc2c1
CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc4c(cc3n2C)OCO4)cc1 c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(cc1)C(=O)/N=c1\sc2cc3OCOc3cc2n1C
CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc4c(cc3n2C)OCO4)cc1 c1ccc(cc1)C[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)/N=c1\sc2cc3OCOc3cc2n1C)[*:1]
CC(C)[C@]1([C@H]2CCOC3(CCCCC3)C2)CCC[NH2+]1 CC(C)[*:1] C1CCC2(CC1)C[C@H](CCO2)[C@@]1(CCC[NH2+]1)[*:1]
CS[C@H]1CC[C@@H](NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)C1 CC(C)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1cnn(-c2ccc(C)cc2)c1[*:1]
CS[C@H]1CC[C@@H](NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)C1 Cc1ccc(cc1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1cnn(c1C(C)C)[*:1]
CC(C)CS(=O)(=O)CC(=O)Nc1c(F)cccc1N1CCCC1 CC(C)[*:1] O=C(CS(=O)(=O)C[*:1])Nc1c(F)cccc1N1CCCC1
CC(C)CS(=O)(=O)CC(=O)Nc1c(F)cccc1N1CCCC1 CC(C)C[*:1] O=C(CS(=O)(=O)[*:1])Nc1c(F)cccc1N1CCCC1
CC(C)CS(=O)(=O)CC(=O)Nc1c(F)cccc1N1CCCC1 C1CCN(C1)[*:1] CC(C)CS(=O)(=O)CC(=O)Nc1c(F)cccc1[*:1]
CC(C)CS(=O)(=O)CC(=O)Nc1c(F)cccc1N1CCCC1 CC(C)CS(=O)(=O)[*:1] O=C(C[*:1])Nc1c(F)cccc1N1CCCC1
CCc1ccc(-n2c([O-])c3[nH]cc(-c4ccccc4)c3nc2=S)cc1 CCc1ccc(cc1)[*:1] [O-]c1c2[nH]cc(-c3ccccc3)c2nc(=S)n1[*:1]
CCc1ccc(-n2c([O-])c3[nH]cc(-c4ccccc4)c3nc2=S)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)-n1c([O-])c2[nH]cc(c2nc1=S)[*:1]
COC[C@H](NC(=O)NCc1cccc(N(C)C)[nH+]1)c1ccc(F)c(F)c1 CN(C)[*:1] COC[C@H](NC(=O)NCc1cccc([nH+]1)[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)NCc1cccc(N(C)C)[nH+]1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)NCc1cccc([nH+]1)N(C)C)[*:1]
COC[C@H](NC(=O)NCc1cccc(N(C)C)[nH+]1)c1ccc(F)c(F)c1 COC[*:1] CN(C)c1cccc(CNC(=O)N[C@H](c2ccc(F)c(F)c2)[*:1])[nH+]1
CC(C)c1noc([C@H](C)Nc2cccc(NS(C)(=O)=O)c2)n1 CC(C)[*:1] C[C@H](Nc1cccc(c1)NS(C)(=O)=O)c1nc(no1)[*:1]
CC(C)c1noc([C@H](C)Nc2cccc(NS(C)(=O)=O)c2)n1 CS(=O)(=O)N[*:1] CC(C)c1noc(n1)[C@H](C)Nc1cccc(c1)[*:1]
COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=S)N[C@@H]1c1cc(OC)c2c(c1)OCO2 Fc1ccc(cc1Cl)[*:1] COC(=O)C1=C(C)N(C(=S)N[C@@H]1c1cc(OC)c2OCOc2c1)[*:1]
COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=S)N[C@@H]1c1cc(OC)c2c(c1)OCO2 COC(=O)[*:1] COc1cc(cc2OCOc12)[C@H]1NC(=S)N(C(C)=C1[*:1])c1ccc(F)c(Cl)c1
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCC(N)=O)CC1=O CC[C@@H](C)[*:1] NC(=O)CNC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1[*:1]
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCC(N)=O)CC1=O NC(=O)CNC(=O)[*:1] CC[C@@H](C)c1ccccc1N1C[C@H](CC1=O)[*:1]
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCC(N)=O)CC1=O NC(=O)C[*:1] CC[C@@H](C)c1ccccc1N1C[C@@H](CC1=O)C(=O)N[*:1]
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCC(N)=O)CC1=O NC(=O)[*:1] CC[C@@H](C)c1ccccc1N1C[C@@H](CC1=O)C(=O)NC[*:1]
COc1ccccc1-n1cnnc1CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 COc1ccccc1[*:1] O=C(c1cc2ccccc2[nH]1)N1CCN(CC1)Cc1nncn1[*:1]
COc1ccccc1-n1cnnc1CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 c1ccc2[nH]c(cc2c1)[*:1] COc1ccccc1-n1cnnc1CN1CCN(CC1)C(=O)[*:1]
C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1cc(F)c(F)cc1F c1coc(c1)[*:1] C[C@H](C[C@@H](O)[*:1])NC(=O)c1cc(F)c(F)cc1F
C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1cc(F)c(F)cc1F O[C@@H](c1ccco1)[*:1] C[C@H](C[*:1])NC(=O)c1cc(F)c(F)cc1F
COCc1cccc(C(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)c1 COC[*:1] C[C@@](NC(=O)c1cccc(c1)[*:1])(C(N)=O)c1cccc(Cl)c1
COCc1cccc(C(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] COCc1cccc(c1)C(=O)N[C@](C)(C(N)=O)[*:1]
COCc1cccc(C(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)c1 NC(=O)[*:1] COCc1cccc(c1)C(=O)N[C@](C)(c1cccc(Cl)c1)[*:1]
CCS(=O)(=O)CC(=O)Nc1ccccc1C#N CCS(=O)(=O)[*:1] N#Cc1ccccc1NC(=O)C[*:1]
Cc1c(NC(=O)[C@H](C)Oc2ccccc2)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)[C@H](C)O[*:1]
Cc1c(NC(=O)[C@H](C)Oc2ccccc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)[C@H](C)Oc1ccccc1
Cc1c(NC(=O)[C@H](C)Oc2ccccc2)cccc1[N+](=O)[O-] c1ccc(cc1)O[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)[C@H](C)[*:1]
Cc1nn(C[C@@H](C)C(=O)Nc2ccccc2F)c(C)c1Br Fc1ccccc1[*:1] Cc1nn(C[C@@H](C)C(=O)N[*:1])c(C)c1Br
C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)CO FC(F)O[*:1] C[C@H](NC(=O)Nc1cc(ccc1[*:1])[N+](=O)[O-])[C@@H](C)CO
C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)CO FC(F)[*:1] C[C@H](NC(=O)Nc1cc(ccc1O[*:1])[N+](=O)[O-])[C@@H](C)CO
C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)CO C[C@@H](CO)[*:1] C[C@H](NC(=O)Nc1cc(ccc1OC(F)F)[N+](=O)[O-])[*:1]
C[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)CO O=[N+]([O-])[*:1] C[C@H](NC(=O)Nc1cc(ccc1OC(F)F)[*:1])[C@@H](C)CO
O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCC(C(=O)N2CCCCCC2)CC1 O=C(N1CCCCCC1)[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCC(CC1)[*:1]
C[C@H](CS(C)(=O)=O)N(C)Cc1ncn(-c2ccccc2)n1 CS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)Cc1ncn(n1)-c1ccccc1
C[C@H](CS(C)(=O)=O)N(C)Cc1ncn(-c2ccccc2)n1 CS(=O)(=O)C[*:1] C[C@H](N(C)Cc1ncn(n1)-c1ccccc1)[*:1]
C[C@H](CS(C)(=O)=O)N(C)Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](CS(C)(=O)=O)N(C)Cc1ncn(n1)[*:1]
O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCN(c2ccc(Cl)cn2)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCN1S(=O)(=O)[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCN(CC1)[*:1]
CC(C)CNC(=O)N(C)CCOc1ccc(Cl)cc1 CC(C)[*:1] CN(CCOc1ccc(Cl)cc1)C(=O)NC[*:1]
CC(C)CNC(=O)N(C)CCOc1ccc(Cl)cc1 CC(C)C[*:1] CN(CCOc1ccc(Cl)cc1)C(=O)N[*:1]
Cc1ccccc1-n1c(-c2cccs2)nc2ccccc2c1=O c1csc(c1)[*:1] Cc1ccccc1-n1c(nc2ccccc2c1=O)[*:1]
Cc1ccccc1-n1c(-c2cccs2)nc2ccccc2c1=O Cc1ccccc1[*:1] O=c1c2ccccc2nc(-c2cccs2)n1[*:1]
CCC[C@@H]1NC(=O)N(CC(=O)N(C)[C@@H](C)c2ccccc2)C1=O CCC[*:1] C[C@@H](c1ccccc1)N(C)C(=O)CN1C(=O)N[C@H](C1=O)[*:1]
CCC[C@@H]1NC(=O)N(CC(=O)N(C)[C@@H](C)c2ccccc2)C1=O c1ccc(cc1)[*:1] CCC[C@@H]1NC(=O)N(CC(=O)N(C)[C@@H](C)[*:1])C1=O
Cc1ccccc1Nc1nc(N)nc(CSCc2ccc(C#N)cc2)n1 N#Cc1ccc(cc1)[*:1] Cc1ccccc1Nc1nc(N)nc(CSC[*:1])n1
Cc1ccccc1Nc1nc(N)nc(CSCc2ccc(C#N)cc2)n1 Cc1ccccc1[*:1] N#Cc1ccc(cc1)CSCc1nc(N)nc(n1)N[*:1]
Cc1ccccc1Nc1nc(N)nc(CSCc2ccc(C#N)cc2)n1 Cc1ccccc1N[*:1] N#Cc1ccc(cc1)CSCc1nc(N)nc(n1)[*:1]
CCNC(=O)c1ccccc1C(=O)c1cc(C)ccc1C CCNC(=O)[*:1] Cc1ccc(C)c(c1)C(=O)c1ccccc1[*:1]
COc1cccc2ccc(N3CCC[C@H](c4nc5ccccc5[nH]4)C3)nc12 c1ccc2[nH]c(nc2c1)[*:1] COc1cccc2ccc(nc12)N1CCC[C@H](C1)[*:1]
CCOc1cn(-c2ccccc2)nc1C(=O)N(C[C@@H]1CCCCO1)C(C)C CC(C)[*:1] CCOc1cn(nc1C(=O)N(C[C@@H]1CCCCO1)[*:1])-c1ccccc1
CCOc1cn(-c2ccccc2)nc1C(=O)N(C[C@@H]1CCCCO1)C(C)C CCO[*:1] CC(C)N(C[C@@H]1CCCCO1)C(=O)c1nn(cc1[*:1])-c1ccccc1
CCOc1cn(-c2ccccc2)nc1C(=O)N(C[C@@H]1CCCCO1)C(C)C c1ccc(cc1)[*:1] CCOc1cn(nc1C(=O)N(C[C@@H]1CCCCO1)C(C)C)[*:1]
CCN(CC)c1ccc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 CCN(CC)[*:1] C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc(cc1)[*:1])C2=O
Nc1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2[n+]1Cc1ccccc1Cl Clc1ccccc1[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1C[*:1])S(=O)(=O)c1ccccc1
Nc1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2[n+]1Cc1ccccc1Cl c1ccc(cc1)[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1Cc1ccccc1Cl)S(=O)(=O)[*:1]
Nc1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2[n+]1Cc1ccccc1Cl O=S(=O)(c1ccccc1)[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1Cc1ccccc1Cl)[*:1]
Nc1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2[n+]1Cc1ccccc1Cl Clc1ccccc1C[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1[*:1])S(=O)(=O)c1ccccc1
O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1ccccc1C(F)(F)F)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 FC(F)(F)[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1cccs1
C[C@@H](CSc1ccccc1)C(=O)N(C)Cc1nccs1 c1csc(n1)[*:1] C[C@@H](CSc1ccccc1)C(=O)N(C)C[*:1]
C[C@@H](CSc1ccccc1)C(=O)N(C)Cc1nccs1 c1csc(C[*:1])n1 C[C@@H](CSc1ccccc1)C(=O)N(C)[*:1]
C[C@@H](CSc1ccccc1)C(=O)N(C)Cc1nccs1 c1ccc(cc1)[*:1] C[C@@H](CS[*:1])C(=O)N(C)Cc1nccs1
COC(=O)[C@H](C)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 c1ccc(cc1)[*:1] COC(=O)[C@H](C)NC(=O)c1cccc2c(=O)c(C)c(oc12)[*:1]
COC(=O)[C@H](C)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 COC(=O)[C@H](C)NC(=O)[*:1] Cc1c(oc2c(cccc2c1=O)[*:1])-c1ccccc1
COC(=O)[C@H](C)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 COC(=O)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)N[C@@H](C)[*:1])-c1ccccc1
Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC(N3CCNC3=O)CC1)C2 O=C1NCCN1[*:1] Cc1ccc2C[C@@H](Sc2c1)C(=O)N1CCC(CC1)[*:1]
Cn1cnc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 N#Cc1ccc(cc1)O[*:1] Cn1cnc(CNC(=O)Nc2ccc(c(Cl)c2)[*:1])n1
Cn1cnc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 Cn1cnc(n1)[*:1] N#Cc1ccc(cc1)Oc1ccc(cc1Cl)NC(=O)NC[*:1]
Cn1cnc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 N#Cc1ccc(cc1)[*:1] Cn1cnc(CNC(=O)Nc2ccc(O[*:1])c(Cl)c2)n1
Cn1cnc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 Cn1cnc(C[*:1])n1 N#Cc1ccc(cc1)Oc1ccc(cc1Cl)NC(=O)N[*:1]
CC(=O)NCC(=O)Nc1ccc(OCc2ccccc2)cc1 CC(=O)NC[*:1] O=C(Nc1ccc(cc1)OCc1ccccc1)[*:1]
CC(=O)NCC(=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)NCC(=O)Nc1ccc(cc1)OC[*:1]
CC(=O)NCC(=O)Nc1ccc(OCc2ccccc2)cc1 CC(=O)N[*:1] O=C(C[*:1])Nc1ccc(cc1)OCc1ccccc1
CC(=O)NCC(=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(=O)NCC(=O)Nc1ccc(cc1)O[*:1]
Cc1nn([C@@H](C)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)c(C)c1C Cn1cc(cn1)[*:1] Cc1nn(c(C)c1C)[C@@H](C)CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1nn([C@@H](C)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)c(C)c1C Cc1nn(c(C)c1C)[*:1] C[C@@H](CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1cnn(C)c1)[*:1]
CC[C@H](O)CCNC(=O)c1ccc(-n2ccnn2)cc1 CC[C@H](O)[*:1] O=C(NCC[*:1])c1ccc(cc1)-n1ccnn1
CC[C@H](O)CCNC(=O)c1ccc(-n2ccnn2)cc1 CC[C@H](O)CC[*:1] O=C(N[*:1])c1ccc(cc1)-n1ccnn1
CC[C@H](O)CCNC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CC[C@H](O)CCNC(=O)c1ccc(cc1)[*:1]
CC[C@H](O)CCNC(=O)c1ccc(-n2ccnn2)cc1 CC[C@H](O)C[*:1] O=C(NC[*:1])c1ccc(cc1)-n1ccnn1
CC(=O)c1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@H]1CNC(=O)C1
C[NH+]1CCN([C@H](CNC(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)CC1 Clc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)[*:1])c1ccc(F)cc1
C[NH+]1CCN([C@H](CNC(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)c1ccc(Cl)cc1)[*:1]
N=C(NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] N=C(NC(=O)c1cccc(c1)N1CCCC1=O)[*:1]
N=C(NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(F)c(Cl)c1 O=C1CCCN1[*:1] N=C(NC(=O)c1cccc(c1)[*:1])c1ccc(F)c(Cl)c1
Cc1cc(C(=O)NNC(=O)N[C@H](C)C[NH+]2CCCCC2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)NNC(=O)[*:1]
CN(Cc1nccs1)S(=O)(=O)c1ncn(C)c1Cl c1csc(n1)[*:1] CN(C[*:1])S(=O)(=O)c1ncn(C)c1Cl
CN(Cc1nccs1)S(=O)(=O)c1ncn(C)c1Cl c1csc(C[*:1])n1 CN(S(=O)(=O)c1ncn(C)c1Cl)[*:1]
Cc1ccoc1C(=O)Nc1cc(F)ccc1Sc1nccn1C Cn1ccnc1S[*:1] Cc1ccoc1C(=O)Nc1cc(F)ccc1[*:1]
Cc1ccoc1C(=O)Nc1cc(F)ccc1Sc1nccn1C Cc1ccoc1[*:1] Cn1ccnc1Sc1ccc(F)cc1NC(=O)[*:1]
Cc1ccoc1C(=O)Nc1cc(F)ccc1Sc1nccn1C Cn1ccnc1[*:1] Cc1ccoc1C(=O)Nc1cc(F)ccc1S[*:1]
COC(=O)N1CCC[C@H]1C(=O)Nc1cccc([C@H](C)SC)c1 CS[C@@H](C)[*:1] COC(=O)N1CCC[C@H]1C(=O)Nc1cccc(c1)[*:1]
C[C@@H]1Sc2ccc(C(=O)N(C)C[C@H](O)C3CC3)cc2NC1=O C1CC1[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N(C)C[C@H](O)[*:1]
C[C@@H]1Sc2ccc(C(=O)N(C)C[C@H](O)C3CC3)cc2NC1=O O[C@@H](C[*:1])C1CC1 C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N(C)[*:1]
C[C@@H]1Sc2ccc(C(=O)N(C)C[C@H](O)C3CC3)cc2NC1=O O[C@H](C1CC1)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N(C)C[*:1]
CC(C)CC[C@H](C)[NH2+]Cc1nc2c(s1)CCC2 CC(C)[*:1] C[C@@H](CC[*:1])[NH2+]Cc1nc2CCCc2s1
CC(C)CC[C@H](C)[NH2+]Cc1nc2c(s1)CCC2 CC(C)C[*:1] C[C@@H](C[*:1])[NH2+]Cc1nc2CCCc2s1
CC(C)CC[C@H](C)[NH2+]Cc1nc2c(s1)CCC2 CC(C)CC[*:1] C[C@H]([NH2+]Cc1nc2CCCc2s1)[*:1]
C[C@H](OC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] C[C@H](OC(=O)Cc1cc(Cl)c2OCCCOc2c1)C(=O)[*:1]
O=C(NCc1ccnc(OC2CCC2)c1)NC[C@@H]1C[NH+]2CCN1CC2 C1CC(C1)O[*:1] O=C(NCc1ccnc(c1)[*:1])NC[C@@H]1C[NH+]2CCN1CC2
O=C(NCc1ccnc(OC2CCC2)c1)NC[C@@H]1C[NH+]2CCN1CC2 C1CC(C1)[*:1] O=C(NCc1ccnc(c1)O[*:1])NC[C@@H]1C[NH+]2CCN1CC2
C[C@@H](NC(=O)c1ccc(Br)cc1-n1cncn1)[C@@H]1CCOC1 c1ncn(n1)[*:1] C[C@@H](NC(=O)c1ccc(Br)cc1[*:1])[C@@H]1CCOC1
C[C@@H](NC(=O)c1ccc(Br)cc1-n1cncn1)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@@H](NC(=O)c1ccc(Br)cc1-n1cncn1)[*:1]
CSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(O)c1)CC(=O)N2 Oc1cccc(c1)[*:1] CSc1nc2NC(=O)C[C@@H](c2c(=O)[nH]1)[*:1]
CC(=O)NCc1ccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 CC(=O)N[*:1] O=C(c1ccc(cc1)C[*:1])N(Cc1cccs1)C[C@@H]1CCCO1
CC(=O)NCc1ccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 c1csc(c1)C[*:1] CC(=O)NCc1ccc(cc1)C(=O)N(C[C@@H]1CCCO1)[*:1]
CC(=O)NCc1ccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 CC(=O)NC[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1cccs1)C[C@@H]1CCCO1
CC(=O)NCc1ccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1 c1csc(c1)[*:1] CC(=O)NCc1ccc(cc1)C(=O)N(C[C@@H]1CCCO1)C[*:1]
CN(Cc1ccccc1F)C(=O)c1cc(=O)[nH]c2ccccc12 Fc1ccccc1[*:1] CN(C[*:1])C(=O)c1cc(=O)[nH]c2ccccc12
Cc1nn(-c2ccccc2)c2nc(-c3cccs3)n3c4ccccc4nc3c2c1=O c1csc(c1)[*:1] Cc1nn(-c2ccccc2)c2nc(n3c4ccccc4nc3c2c1=O)[*:1]
Cc1nn(-c2ccccc2)c2nc(-c3cccs3)n3c4ccccc4nc3c2c1=O c1ccc(cc1)[*:1] Cc1nn(c2nc(-c3cccs3)n3c4ccccc4nc3c2c1=O)[*:1]
COC(=O)[C@H]1CN(C(=O)c2sccc2Br)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1sccc1Br
COC(=O)[C@H]1CN(C(=O)c2sccc2Br)C[C@H]1C Brc1ccsc1[*:1] COC(=O)[C@H]1CN(C[C@H]1C)C(=O)[*:1]
CN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 O=C(N1CCCCC1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
CN(C)c1ccccc1CC(O)(c1ccccc1)c1ccccc1 CN(C)[*:1] OC(Cc1ccccc1[*:1])(c1ccccc1)c1ccccc1
CN(C)c1ccccc1CC(O)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)c1ccccc1CC(O)(c1ccccc1)[*:1]
COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cc1Cl COc1ccc(cc1Cl)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
Cc1cc2nc(SCC(=O)Nc3ccccc3C)n(-c3ccccc3)c(=O)c2[nH]1 c1ccc(cc1)[*:1] Cc1cc2nc(SCC(=O)Nc3ccccc3C)n(c(=O)c2[nH]1)[*:1]
Cc1cc2nc(SCC(=O)Nc3ccccc3C)n(-c3ccccc3)c(=O)c2[nH]1 Cc1ccccc1[*:1] Cc1cc2nc(SCC(=O)N[*:1])n(-c3ccccc3)c(=O)c2[nH]1
COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)O[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)OC[*:1]
C=CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[*:1]
C=CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1ccccc1 C=CC[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1)[*:1]
Cc1nc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)sc1CC(N)=O Cc1nc(sc1CC(N)=O)[*:1] O=C(CS[*:1])N1c2ccccc2OC[C@H]1c1ccccc1
Cc1nc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)sc1CC(N)=O NC(=O)C[*:1] Cc1nc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)sc1[*:1]
Cc1nc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)sc1CC(N)=O c1ccc(cc1)[*:1] Cc1nc(SCC(=O)N2c3ccccc3OC[C@@H]2[*:1])sc1CC(N)=O
Cc1nc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)sc1CC(N)=O NC(=O)[*:1] Cc1nc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)sc1C[*:1]
COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc12 COC(=O)[*:1] FC(F)(F)c1cc(nc2c(cnn12)[*:1])-c1ccc2ccccc2c1
COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc12 FC(F)(F)[*:1] COC(=O)c1cnn2c(cc(nc12)-c1ccc2ccccc2c1)[*:1]
CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1 CC(=O)N[*:1] Cc1noc2nc(cc(C(=O)Nc3cccc(c3)[*:1])c12)-c1ccccc1
CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1cc(nc2onc(C)c12)[*:1]
COc1ccc(-c2csc(NC(=O)CN3CCCCCC3=O)n2)cc1OC O=C1CCCCCN1C[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)[*:1]
COc1ccc(-c2csc(NC(=O)CN3CCCCCC3=O)n2)cc1OC O=C1CCCCCN1[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)C[*:1]
Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1cc(ccc1NC(=O)[*:1])NC(=S)NC(=O)c1ccc(Cl)cc1Cl
Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1cc(ccc1[*:1])NC(=S)NC(=O)c1ccc(Cl)cc1Cl
Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 Clc1ccc(c(Cl)c1)[*:1] Cc1cc(ccc1NC(=O)c1ccco1)NC(=S)NC(=O)[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1 CC[C@H](C)[*:1] CCN(CC)C(=O)c1ccc(cc1Cl)NC(=O)C(=O)N[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(CC)CC)c(Cl)c1 CCN(CC)C(=O)[*:1] CC[C@H](C)NC(=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1csc(n1)-n1nc(C)cc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@@H]2CC(=O)N(C2)c2ccc(Cl)cc2)n(n1)-c1nc(cs1)[*:1]
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H](C)S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C(C)(C)CNC(=O)[C@@H](C)[*:1]
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H](C)S(C)(=O)=O)C1 C[C@@H](S(C)(=O)=O)[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C(C)(C)CNC(=O)[*:1]
CCNC(=O)c1cc(S(=O)(=O)NCc2cccs2)cs1 c1csc(c1)C[*:1] CCNC(=O)c1cc(cs1)S(=O)(=O)N[*:1]
CCNC(=O)c1cc(S(=O)(=O)NCc2cccs2)cs1 CCNC(=O)[*:1] O=S(=O)(NCc1cccs1)c1csc(c1)[*:1]
CCNC(=O)c1cc(S(=O)(=O)NCc2cccs2)cs1 c1csc(c1)[*:1] CCNC(=O)c1cc(cs1)S(=O)(=O)NC[*:1]
CCCCOC(=O)N[C@H]1C=CS(=O)(=O)C1 CCCC[*:1] O=C(N[C@H]1C=CS(=O)(=O)C1)O[*:1]
CCCCOC(=O)N[C@H]1C=CS(=O)(=O)C1 CCC[*:1] O=C(N[C@H]1C=CS(=O)(=O)C1)OC[*:1]
O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cnc(Cl)c(Cl)c1 Clc1cc(cnc1Cl)[*:1] O=C(Nc1nc2-c3ccccc3OCc2s1)[*:1]
COc1ccc(-c2cnc(Cn3cc(Br)cn3)o2)cc1 Brc1cnn(c1)[*:1] COc1ccc(cc1)-c1cnc(C[*:1])o1
C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](C)[C@H](O)C1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CC[C@@H](C)[C@H](O)C1
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1cccc(Cl)c1 CN(C)S(=O)(=O)[*:1] COc1ccc(cc1NC(=O)CNc1cccc(Cl)c1)[*:1]
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1ccc(cc1NC(=O)CN[*:1])S(=O)(=O)N(C)C
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1cccc(Cl)c1 Clc1cccc(c1)N[*:1] COc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N(C)C
Cc1nc(S(=O)(=O)N2CCN(C3C[C@@H](C)O[C@H](C)C3)CC2)cn1C Cc1nc(cn1C)[*:1] C[C@@H]1CC(C[C@@H](C)O1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccccc1[C@@H](C(=O)NCCC(=O)N1CCCC1)N(C)C Cc1ccccc1[*:1] CN(C)[C@H](C(=O)NCCC(=O)N1CCCC1)[*:1]
Cc1ccccc1[C@@H](C(=O)NCCC(=O)N1CCCC1)N(C)C CN(C)[*:1] Cc1ccccc1[C@@H](C(=O)NCCC(=O)N1CCCC1)[*:1]
Cc1ccccc1[C@@H](C(=O)NCCC(=O)N1CCCC1)N(C)C O=C(N1CCCC1)[*:1] Cc1ccccc1[C@@H](C(=O)NCC[*:1])N(C)C
O=S(=O)(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(F)c1 Fc1ccc(cc1)[*:1] O=S(=O)(N[C@@H](CC(F)(F)F)[*:1])c1cccc(F)c1
O=S(=O)(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(F)c1 FC(F)(F)C[*:1] O=S(=O)(N[C@@H](c1ccc(F)cc1)[*:1])c1cccc(F)c1
O=S(=O)(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(F)c1 FC(F)(F)[*:1] O=S(=O)(N[C@@H](C[*:1])c1ccc(F)cc1)c1cccc(F)c1
O=S(=O)(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=S(=O)(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
COc1ccc(C(=O)N2C[C@@H](C)Sc3ccccc32)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)N1C[C@@H](C)Sc2ccccc21
CCN(c1ccccc1)c1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-] CCN(c1ccccc1)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cccc2ncccc12
CCN(c1ccccc1)c1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CCN(c1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-])[*:1]
CCN(c1ccccc1)c1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(c1ccccc1)c1ncnc(Nc2cccc3ncccc23)c1[*:1]
Cc1ccc(CCNC(=O)c2csc3c2CC[C@H](C)C3)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCc2c(csc2C1)C(=O)NCC[*:1]
COCc1cc(NC(=O)N2CCOC3(CCCCCC3)C2)ncn1 COC[*:1] O=C(Nc1cc(ncn1)[*:1])N1CCOC2(CCCCCC2)C1
O=C(NCc1cc(=O)n2nc(-c3ccccc3)sc2n1)c1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] O=C(NCc1cc(=O)n2nc(sc2n1)-c1ccccc1)[*:1]
O=C(NCc1cc(=O)n2nc(-c3ccccc3)sc2n1)c1ccccc1C(F)(F)F c1ccc(cc1)[*:1] O=C(NCc1cc(=O)n2nc(sc2n1)[*:1])c1ccccc1C(F)(F)F
O=C(NCc1cc(=O)n2nc(-c3ccccc3)sc2n1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCc1cc(=O)n2nc(sc2n1)-c1ccccc1)c1ccccc1[*:1]
O=C1CC[C@@]2(CCCN(C(=O)NC3CCCC3)C2)CN1Cc1ccccn1 C1CCC(C1)[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)N[*:1])CN1Cc1ccccn1
O=C1CC[C@@]2(CCCN(C(=O)NC3CCCC3)C2)CN1Cc1ccccn1 c1ccc(nc1)[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)NC2CCCC2)CN1C[*:1]
O=C1CC[C@@]2(CCCN(C(=O)NC3CCCC3)C2)CN1Cc1ccccn1 c1ccc(C[*:1])nc1 O=C(NC1CCCC1)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
CC(C)c1nc2ccc(NC(=O)c3ccnn3C(F)F)cc2s1 CC(C)[*:1] O=C(Nc1ccc2nc(sc2c1)[*:1])c1ccnn1C(F)F
CC(C)c1nc2ccc(NC(=O)c3ccnn3C(F)F)cc2s1 FC(F)[*:1] CC(C)c1nc2ccc(cc2s1)NC(=O)c1ccnn1[*:1]
CC[NH2+][C@H](C)c1cc(F)ccc1O[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC[NH2+][C@H](C)c1cc(F)ccc1O[C@@H](C)[*:1]
NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)c1 NC(=O)c1cccc(c1)[*:1] Nc1ncc(c(n1)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1)[*:1]
NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] NC(=O)c1cccc(c1)-c1cnc(N)nc1[C@@H]1CCCN1C(=O)[*:1]
NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)c1 NC(=O)[*:1] Nc1ncc(-c2cccc(c2)[*:1])c(n1)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1
COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2Cl)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1cc(c(Cl)cc1Cl)S(=O)(=O)N[*:1]
COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2Cl)cc1 O=C(Nc1ccccc1)[*:1] COc1ccc(cc1)NS(=O)(=O)c1cc(c(Cl)cc1Cl)[*:1]
COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2Cl)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NS(=O)(=O)c1cc(C(=O)N[*:1])c(Cl)cc1Cl
Cc1nn(C)cc1C[NH2+]Cc1cc(-c2ccc(F)cc2)n[nH]1 Cc1nn(C)cc1[*:1] Fc1ccc(cc1)-c1cc(C[NH2+]C[*:1])[nH]n1
Cc1nn(C)cc1C[NH2+]Cc1cc(-c2ccc(F)cc2)n[nH]1 Fc1ccc(cc1)[*:1] Cc1nn(C)cc1C[NH2+]Cc1cc(n[nH]1)[*:1]
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1cnc(cn1)[*:1]
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1cnc(Oc2ccccc2)cn1 C[C@H]1CCCCN1C(=O)[*:1] C[C@@H](NC(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1cnc(cn1)O[*:1]
CO[C@@H](CNCc1ccc(NC(C)=O)cc1)c1ccccc1 CC(=O)N[*:1] CO[C@@H](CNCc1ccc(cc1)[*:1])c1ccccc1
CO[C@@H](CNCc1ccc(NC(C)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNCc1ccc(cc1)NC(C)=O)[*:1]
O=C(Cc1c[nH]c2ccccc12)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(Cc1c[nH]c2ccccc12)N1C[C@@H](O)C[C@@H]1[*:1]
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CNC(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)NC(=O)CNC(=O)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CNC(=O)c2ccccc2)C1 CC(C)(C)[*:1] O=C(CNC(=O)c1ccccc1)N[C@H]1CCN(C1)C(=O)O[*:1]
NS(=O)(=O)c1ccc(N2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1 NS(=O)(=O)[*:1] O=C(C[C@H]1C=CCC1)N1CCN(CC1)c1ccc(cc1)[*:1]
COc1cc(C)c(C(=O)N[C@H](C)C(N)=O)cc1OC NC(=O)[*:1] COc1cc(C)c(cc1OC)C(=O)N[C@H](C)[*:1]
COc1cc(C)c(C(=O)N[C@H](C)C(N)=O)cc1OC C[C@H](C(N)=O)[*:1] COc1cc(C)c(cc1OC)C(=O)N[*:1]
O=C(COC(=O)c1cc(Cl)c[nH]1)c1ccc(N2CCCC2=O)cc1 Clc1c[nH]c(c1)[*:1] O=C(COC(=O)[*:1])c1ccc(cc1)N1CCCC1=O
O=C(COC(=O)c1cc(Cl)c[nH]1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(COC(=O)c1cc(Cl)c[nH]1)c1ccc(cc1)[*:1]
CC(C)c1nsc(N2C[C@@H](C)CC[C@H]2C)n1 CC(C)[*:1] C[C@H]1CC[C@@H](C)N(C1)c1nc(ns1)[*:1]
CC(C)(C(=O)N[C@H]1CCCc2ccc(F)cc21)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)(C(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
Cc1ccc(N2C[C@H](C(=O)N3CCC4(CC3)OCCCO4)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC2(CC1)OCCCO2
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccc2c(c1)COC2 c1cc2COCc2cc1[*:1] O=C(NCc1nc(no1)-c1ccc(Cl)cc1)C(=O)N[*:1]
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccc2c(c1)COC2 Clc1ccc(cc1)[*:1] O=C(NCc1nc(no1)[*:1])C(=O)Nc1ccc2COCc2c1
Cc1ccc(Cl)cc1N1CC[C@@H](CNc2cc(-n3ccnc3)ncn2)C1 Cc1ccc(Cl)cc1[*:1] c1cn(cn1)-c1cc(ncn1)NC[C@@H]1CCN(C1)[*:1]
Cc1ccc(Cl)cc1N1CC[C@@H](CNc2cc(-n3ccnc3)ncn2)C1 c1cn(cn1)[*:1] Cc1ccc(Cl)cc1N1CC[C@@H](CNc2cc(ncn2)[*:1])C1
CC(C)Oc1ncccc1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 CC(C)[*:1] C[C@H]([NH2+]Cc1cccnc1O[*:1])c1ccc(cc1)[S@](C)=O
CC(C)Oc1ncccc1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 CC(C)O[*:1] C[C@H]([NH2+]Cc1cccnc1[*:1])c1ccc(cc1)[S@](C)=O
CC(C)Oc1ncccc1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CC(C)Oc1ncccc1C[NH2+][C@@H](C)c1ccc(cc1)[*:1]
O=C(NCCc1n[nH]c(=O)[nH]1)c1ccc(-c2ccc(F)cc2)o1 O=c1[nH]nc([nH]1)[*:1] O=C(NCC[*:1])c1ccc(o1)-c1ccc(F)cc1
O=C(NCCc1n[nH]c(=O)[nH]1)c1ccc(-c2ccc(F)cc2)o1 O=c1[nH]nc(C[*:1])[nH]1 O=C(NC[*:1])c1ccc(o1)-c1ccc(F)cc1
O=C(NCCc1n[nH]c(=O)[nH]1)c1ccc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C(NCCc1n[nH]c(=O)[nH]1)c1ccc(o1)[*:1]
CCO[C@@H]1C[C@H](NC(=O)C2CC2)C12CCC2 CCO[*:1] O=C(N[C@H]1C[C@H](C12CCC2)[*:1])C1CC1
CCO[C@@H]1C[C@H](NC(=O)C2CC2)C12CCC2 C1CC1[*:1] CCO[C@@H]1C[C@H](NC(=O)[*:1])C12CCC2
Fc1ccccc1-c1noc2c1C[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 Fc1ccccc1[*:1] c1ccc(cc1)-c1n[nH]cc1C[NH+]1CCc2onc(c2C1)[*:1]
Fc1ccccc1-c1noc2c1C[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 c1ccc(cc1)[*:1] Fc1ccccc1-c1noc2CC[NH+](Cc3c[nH]nc3[*:1])Cc12
CCCc1ccc(O[C@H]2CC[C@](NC)(C(=O)OC)C2)cc1 CCC[*:1] CN[C@@]1(CC[C@@H](C1)Oc1ccc(cc1)[*:1])C(=O)OC
CCCc1ccc(O[C@H]2CC[C@](NC)(C(=O)OC)C2)cc1 COC(=O)[*:1] CCCc1ccc(cc1)O[C@H]1CC[C@@](C1)(NC)[*:1]
SCC1(CN2CCO[C@H]3CCCC[C@@H]32)CC1 SCC1(CC1)[*:1] C1CC[C@H]2[C@H](C1)OCCN2C[*:1]
CCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C)c1 CCO[*:1] Cc1ccc(cc1C)S(=O)(=O)Nc1ccccc1[*:1]
C=CCSc1ccccc1NC(=O)CSc1nncs1 c1nnc(s1)[*:1] C=CCSc1ccccc1NC(=O)CS[*:1]
C=CCSc1ccccc1NC(=O)CSc1nncs1 C=CCS[*:1] O=C(CSc1nncs1)Nc1ccccc1[*:1]
C=CCSc1ccccc1NC(=O)CSc1nncs1 c1nnc(S[*:1])s1 C=CCSc1ccccc1NC(=O)C[*:1]
C=CCSc1ccccc1NC(=O)CSc1nncs1 C=CC[*:1] O=C(CSc1nncs1)Nc1ccccc1S[*:1]
COc1ccccc1C[C@@H](C)NCc1cc(C(N)=O)cs1 NC(=O)[*:1] COc1ccccc1C[C@@H](C)NCc1cc(cs1)[*:1]
CC(C)[NH2+]Cc1cc([C@@H]2CCc3cccnc32)ccc1F CC(C)[*:1] Fc1ccc(cc1C[NH2+][*:1])[C@@H]1CCc2cccnc21
CN(CC(=O)OCC(=O)c1ccc(Cl)s1)c1ncccn1 c1cnc(nc1)[*:1] CN(CC(=O)OCC(=O)c1ccc(Cl)s1)[*:1]
CN(CC(=O)OCC(=O)c1ccc(Cl)s1)c1ncccn1 Clc1ccc(s1)[*:1] CN(CC(=O)OCC(=O)[*:1])c1ncccn1
O=C(NCC1(O)CCSCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] O=C(NCC1(O)CCSCC1)c1ccn(n1)-c1cccc(c1)[*:1]
O=C(NCC1(O)CCSCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 OC1(CCSCC1)[*:1] O=C(NC[*:1])c1ccn(n1)-c1cccc(c1)[N+](=O)[O-]
O=C(NCC1(O)CCSCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 OC1(CCSCC1)C[*:1] O=C(N[*:1])c1ccn(n1)-c1cccc(c1)[N+](=O)[O-]
N#Cc1cccc([C@@H]2C[C@@H]2C(=O)OCCN2CCCCCC2=O)c1 N#Cc1cccc(c1)[*:1] O=C(OCCN1CCCCCC1=O)[C@H]1C[C@H]1[*:1]
N#Cc1cccc([C@@H]2C[C@@H]2C(=O)OCCN2CCCCCC2=O)c1 O=C1CCCCCN1[*:1] N#Cc1cccc(c1)[C@@H]1C[C@@H]1C(=O)OCC[*:1]
Cn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccc(F)cc1 c1ccc(cc1)[*:1] Cn1c(nnc1-c1ccc(F)cc1)SCC(=O)NC(=O)NC[*:1]
Cn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)NC(=O)NCc1ccccc1
Cn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccc(F)cc1 c1ccc(cc1)C[*:1] Cn1c(nnc1-c1ccc(F)cc1)SCC(=O)NC(=O)N[*:1]
c1ccc(-c2cc(N3CCC[NH2+]CC3)nc(-c3cccnc3)n2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)-c1nc(cc(n1)[*:1])N1CCC[NH2+]CC1
c1ccc(-c2cc(N3CCC[NH2+]CC3)nc(-c3cccnc3)n2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)-c1cc(nc(n1)[*:1])N1CCC[NH2+]CC1
O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccc(Cl)cc1[*:1]
O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] O=C(NC[C@@H]1CCCO1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Cl)cc1[N+](=O)[O-]
CN1C(=O)C2=N/C(=N\CCO)N[C@H]2N(C)C1=O OCC[*:1] CN1C(=O)C2=NC(=N[*:1])N[C@H]2N(C)C1=O
O=C([O-])CNC(=O)c1ccc(N2CCCC2)cc1 O=C([O-])C[*:1] O=C(N[*:1])c1ccc(cc1)N1CCCC1
O=C([O-])CNC(=O)c1ccc(N2CCCC2)cc1 O=C([O-])[*:1] O=C(NC[*:1])c1ccc(cc1)N1CCCC1
O=C([O-])CNC(=O)c1ccc(N2CCCC2)cc1 C1CCN(C1)[*:1] O=C([O-])CNC(=O)c1ccc(cc1)[*:1]
Cc1oc(C(=O)N(Cc2ccccc2)CC(C)(C)C)cc1S(N)(=O)=O CC(C)(C)C[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)N(Cc1ccccc1)[*:1]
Cc1oc(C(=O)N(Cc2ccccc2)CC(C)(C)C)cc1S(N)(=O)=O c1ccc(cc1)[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)N(CC(C)(C)C)C[*:1]
Cc1oc(C(=O)N(Cc2ccccc2)CC(C)(C)C)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N(Cc1ccccc1)CC(C)(C)C
Cc1oc(C(=O)N(Cc2ccccc2)CC(C)(C)C)cc1S(N)(=O)=O CC(C)(C)[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)N(Cc1ccccc1)C[*:1]
Cc1oc(C(=O)N(Cc2ccccc2)CC(C)(C)C)cc1S(N)(=O)=O c1ccc(cc1)C[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)N(CC(C)(C)C)[*:1]
CCC[C@H](COC)n1nnnc1N COC[*:1] CCC[C@H](n1nnnc1N)[*:1]
CCC[C@H](COC)n1nnnc1N CCC[*:1] COC[C@H](n1nnnc1N)[*:1]
COc1ccccc1Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 COc1ccccc1[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(cc1)O[*:1]
COc1ccccc1Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 COc1ccccc1O[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 CC(C)(C)[*:1] O=C(c1ccc(Cl)cc1)C1CCN(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)[*:1]
CC(C)Cc1noc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)n1 CC(C)(C)[*:1] CC(C)Cc1noc(CN2C[C@@H](C)N(C[C@H]2C)C(=O)O[*:1])n1
CC(C)Cc1noc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)n1 CC(C)[*:1] C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1nc(C[*:1])no1
CC(C)Cc1noc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)n1 CC(C)C[*:1] C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1nc(no1)[*:1]
COc1ccc(-c2cc(CN(C[C@H]3CCCO3)C(=O)c3cccs3)no2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)-c1cc(CN(C[C@H]2CCCO2)C(=O)[*:1])no1
COc1ccc(-c2cc(CN(C[C@H]3CCCO3)C(=O)c3cccs3)no2)cc1 COc1ccc(cc1)[*:1] O=C(c1cccs1)N(Cc1cc(on1)[*:1])C[C@H]1CCCO1
COc1ccc(CNc2nc(C)c(-c3ccn(Cc4cccc(F)c4)n3)s2)cc1 COc1ccc(cc1)C[*:1] Cc1nc(N[*:1])sc1-c1ccn(Cc2cccc(F)c2)n1
COc1ccc(CNc2nc(C)c(-c3ccn(Cc4cccc(F)c4)n3)s2)cc1 Fc1cccc(c1)C[*:1] COc1ccc(cc1)CNc1nc(C)c(s1)-c1ccn(n1)[*:1]
COc1ccc(CNc2nc(C)c(-c3ccn(Cc4cccc(F)c4)n3)s2)cc1 COc1ccc(cc1)[*:1] Cc1nc(NC[*:1])sc1-c1ccn(Cc2cccc(F)c2)n1
COc1ccc(CNc2nc(C)c(-c3ccn(Cc4cccc(F)c4)n3)s2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)CNc1nc(C)c(s1)-c1ccn(C[*:1])n1
Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NC[C@@H](O)c1ccccc1)O2 O[C@@H](c1ccccc1)[*:1] Cc1ccc2O[C@H](CC(=O)NC[*:1])C(=O)Nc2c1
Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NC[C@@H](O)c1ccccc1)O2 c1ccc(cc1)[*:1] Cc1ccc2O[C@H](CC(=O)NC[C@@H](O)[*:1])C(=O)Nc2c1
Cn1c(C(=O)N2CCCO[C@H](Cn3cccn3)C2)cc(=O)n(C)c1=O c1cnn(c1)C[*:1] Cn1c(cc(=O)n(C)c1=O)C(=O)N1CCCO[C@H](C1)[*:1]
Cn1c(C(=O)N2CCCO[C@H](Cn3cccn3)C2)cc(=O)n(C)c1=O c1cnn(c1)[*:1] Cn1c(cc(=O)n(C)c1=O)C(=O)N1CCCO[C@@H](C1)C[*:1]
COc1ccccc1[C@H](NC(=O)Nc1cccc(C)c1C)c1ccccn1 Cc1cccc(c1C)[*:1] COc1ccccc1[C@H](NC(=O)N[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)Nc1cccc(C)c1C)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)Nc1cccc(C)c1C)[*:1]
COc1ccccc1[C@H](NC(=O)Nc1cccc(C)c1C)c1ccccn1 COc1ccccc1[*:1] Cc1cccc(NC(=O)N[C@H](c2ccccn2)[*:1])c1C
C[C@]1(c2nc(CC[NH3+])cs2)CCCO1 [NH3+]CC[*:1] C[C@@]1(CCCO1)c1nc(cs1)[*:1]
O=C(Nc1ccc(-c2nccs2)cc1)OCC(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(cc1)-c1nccs1)OC[*:1]
O=C(Nc1ccc(-c2nccs2)cc1)OCC(F)(F)F FC(F)(F)C[*:1] O=C(Nc1ccc(cc1)-c1nccs1)O[*:1]
O=C(Nc1ccc(-c2nccs2)cc1)OCC(F)(F)F c1csc(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])OCC(F)(F)F
CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCOC)CO3)C1=O CCOc1ccccc1[*:1] COCCN1COc2ccc3C(=O)C(=C[*:1])Oc3c2C1
CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCOC)CO3)C1=O COC[*:1] CCOc1ccccc1/C=C1\Oc2c(ccc3OCN(Cc32)C[*:1])C1=O
CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCOC)CO3)C1=O CCO[*:1] COCCN1COc2ccc3C(=O)/C(=C/c4ccccc4[*:1])Oc3c2C1
CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCOC)CO3)C1=O COCC[*:1] CCOc1ccccc1/C=C1\Oc2c(ccc3OCN(Cc32)[*:1])C1=O
COc1ccc(F)c(NC(=O)[C@](C)(N)C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(F)c(c1)NC(=O)[C@](C)(N)[*:1]
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)s1 Fc1ccc(cc1F)[*:1] CCc1nnc(NS(=O)(=O)c2ccc(cc2)NC(=O)[*:1])s1
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)s1 CCc1nnc(s1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccc(F)c(F)c1
C#CCOc1ccc(CCN[C@@H](C)c2ccnc(Cl)c2)cc1 C#CC[*:1] C[C@H](NCCc1ccc(cc1)O[*:1])c1ccnc(Cl)c1
C#CCOc1ccc(CCN[C@@H](C)c2ccnc(Cl)c2)cc1 Clc1cc(ccn1)[*:1] C#CCOc1ccc(cc1)CCN[C@@H](C)[*:1]
C#CCOc1ccc(CCN[C@@H](C)c2ccnc(Cl)c2)cc1 C#CCO[*:1] C[C@H](NCCc1ccc(cc1)[*:1])c1ccnc(Cl)c1
Cc1ccccc1-c1cnc(NC(=O)NNc2ccc(Cl)nn2)s1 Clc1ccc(nn1)[*:1] Cc1ccccc1-c1cnc(NC(=O)NN[*:1])s1
Cc1ccccc1-c1cnc(NC(=O)NNc2ccc(Cl)nn2)s1 Cc1ccccc1[*:1] O=C(NNc1ccc(Cl)nn1)Nc1ncc(s1)[*:1]
COC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1 COC(=O)[*:1] Cc1nc(nc(C)c1C)SCC(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccncc3)nc21 NC(=O)[*:1] COc1ccccc1-n1c(=O)[nH]c2c(nc(nc21)-c1ccncc1)[*:1]
COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccncc3)nc21 c1cc(ccn1)[*:1] COc1ccccc1-n1c(=O)[nH]c2c(nc(nc21)[*:1])C(N)=O
COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccncc3)nc21 COc1ccccc1[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2[*:1])-c1ccncc1
COc1cccc2sc(N3CCN(C(=O)CSc4ccc(Cl)cc4)CC3)nc12 Clc1ccc(cc1)[*:1] COc1cccc2sc(nc12)N1CCN(CC1)C(=O)CS[*:1]
COc1cccc2sc(N3CCN(C(=O)CSc4ccc(Cl)cc4)CC3)nc12 Clc1ccc(cc1)S[*:1] COc1cccc2sc(nc12)N1CCN(CC1)C(=O)C[*:1]
COc1cccc2sc(N3CCN(C(=O)CSc4ccc(Cl)cc4)CC3)nc12 Clc1ccc(cc1)SC[*:1] COc1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C)c(NNC(=O)c2coc(-c3ccccc3)n2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NNC(=O)c2coc(n2)[*:1])c(C)c1
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 C1CC[C@@H](C[*:1])OC1 CC(C)N(C(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@H]1C)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 C1CC[C@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@H]1C
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 CC(C)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)N(C[C@@H]1CCCCO1)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 C[C@@H]1C[C@@H]1C(=O)N[*:1] CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc(cc1)[*:1]
CCCc1cc2ccc(=O)oc2cc1OC CCC[*:1] COc1cc2oc(=O)ccc2cc1[*:1]
C[C@@]([NH2+]C[C@@H]1CCCc2ccccc21)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@]([NH2+]C[C@@H]1CCCc2ccccc21)(C(=O)[O-])[*:1]
C[C@@]([NH2+]C[C@@H]1CCCc2ccccc21)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@]([NH2+]C[C@@H]1CCCc2ccccc21)(C(F)(F)F)[*:1]
CC(C)CCC[C@@H](C)NC(=O)N1CC[C@H]([N+]2=CCCC2)C1 CC(C)CCC[*:1] C[C@@H](NC(=O)N1CC[C@@H](C1)[N+]1=CCCC1)[*:1]
CC(C)CCC[C@@H](C)NC(=O)N1CC[C@H]([N+]2=CCCC2)C1 CC(C)[*:1] C[C@H](CCC[*:1])NC(=O)N1CC[C@@H](C1)[N+]1=CCCC1
CC(C)CCC[C@@H](C)NC(=O)N1CC[C@H]([N+]2=CCCC2)C1 CC(C)C[*:1] C[C@H](CC[*:1])NC(=O)N1CC[C@@H](C1)[N+]1=CCCC1
CC(C)CCC[C@@H](C)NC(=O)N1CC[C@H]([N+]2=CCCC2)C1 CC(C)CC[*:1] C[C@H](C[*:1])NC(=O)N1CC[C@@H](C1)[N+]1=CCCC1
OCCN1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 OCC[*:1] Clc1ccc(Cl)c(c1)SCC[NH+]1CCN(CC1)[*:1]
CCNC(=O)[C@@H](C)NCc1ccc(OC)c2ccccc12 CCNC(=O)[C@@H](C)[*:1] COc1ccc(CN[*:1])c2ccccc12
CCNC(=O)[C@@H](C)NCc1ccc(OC)c2ccccc12 CCNC(=O)[*:1] COc1ccc(CN[C@H](C)[*:1])c2ccccc12
CCC[C@@]1(C)CCCN(C(=O)C(=O)Nc2c(C)ccn(C)c2=O)C1 CCC[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCC[C@](C)(C1)[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 CN1CCO[C@@H](C1)[*:1] Cc1nc(sc1[C@H](C)[NH2+]C[*:1])C(C)(C)C
Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 CC(C)(C)[*:1] Cc1nc(sc1[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1)[*:1]
O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCC(n2cc[nH+]c2)CC1 FC(F)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)[*:1])N1CCC(CC1)n1cc[nH+]c1
O=C(CCCCO)N(Cc1ccccc1)C1CC1 OCC[*:1] O=C(CC[*:1])N(Cc1ccccc1)C1CC1
O=C(CCCCO)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(CCCCO)N(C[*:1])C1CC1
O=C(CCCCO)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(CCCCO)N(Cc1ccccc1)[*:1]
O=C(CCCCO)N(Cc1ccccc1)C1CC1 OCCC[*:1] O=C(C[*:1])N(Cc1ccccc1)C1CC1
O=C(CCCCO)N(Cc1ccccc1)C1CC1 OCCCC[*:1] O=C(N(Cc1ccccc1)C1CC1)[*:1]
CNC(=O)NC(=O)CC[NH+](C)CCC(C)C CC(C)[*:1] CNC(=O)NC(=O)CC[NH+](C)CC[*:1]
CNC(=O)NC(=O)CC[NH+](C)CCC(C)C CC(C)C[*:1] CNC(=O)NC(=O)CC[NH+](C)C[*:1]
CNC(=O)NC(=O)CC[NH+](C)CCC(C)C CC(C)CC[*:1] CNC(=O)NC(=O)CC[NH+](C)[*:1]
CNC(=O)C1CCN(C(=O)[C@H](NC(=O)c2ccco2)C(C)C)CC1 c1coc(c1)[*:1] CNC(=O)C1CCN(CC1)C(=O)[C@H](NC(=O)[*:1])C(C)C
CNC(=O)C1CCN(C(=O)[C@H](NC(=O)c2ccco2)C(C)C)CC1 CC(C)[*:1] CNC(=O)C1CCN(CC1)C(=O)[C@H](NC(=O)c1ccco1)[*:1]
CNC(=O)C1CCN(C(=O)[C@H](NC(=O)c2ccco2)C(C)C)CC1 CNC(=O)[*:1] CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(CC1)[*:1]
CNC(=O)C1CCN(C(=O)[C@H](NC(=O)c2ccco2)C(C)C)CC1 O=C(N[*:1])c1ccco1 CNC(=O)C1CCN(CC1)C(=O)[C@H](C(C)C)[*:1]
COC(=O)[C@@]1(C)CCN(Cc2cc(C)c(Br)s2)C1 COC(=O)[*:1] Cc1cc(CN2CC[C@](C)(C2)[*:1])sc1Br
CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 CC(C)C[*:1] CCOc1ccc(cc1)[C@@H]1C(C(=O)O[*:1])=C(C)N=C2SCCC(=O)N21
CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 CCO[*:1] CC1N=C2SCCC(=O)N2[C@@H](C=1C(=O)OCC(C)C)c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 CC(C)[*:1] CCOc1ccc(cc1)[C@@H]1C(C(=O)OC[*:1])=C(C)N=C2SCCC(=O)N21
CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 CC(C)COC(=O)[*:1] CCOc1ccc(cc1)[C@@H]1C(=C(C)N=C2SCCC(=O)N21)[*:1]
CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 CCOc1ccc(cc1)[*:1] CC1N=C2SCCC(=O)N2[C@@H](C=1C(=O)OCC(C)C)[*:1]
Cc1ccoc1[C@@H](C)[NH2+][C@@H]1CCC[C@H](C(N)=O)C1 Cc1ccoc1[*:1] C[C@@H]([NH2+][C@@H]1CCC[C@@H](C1)C(N)=O)[*:1]
Cc1ccoc1[C@@H](C)[NH2+][C@@H]1CCC[C@H](C(N)=O)C1 NC(=O)[*:1] Cc1ccoc1[C@@H](C)[NH2+][C@@H]1CCC[C@H](C1)[*:1]
COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2csc(C)n2)CC1 COc1ccccc1C[*:1] Cc1nc(cs1)C(=O)N(C)CC1CC[NH+](CC1)C[*:1]
COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2csc(C)n2)CC1 COc1ccccc1[*:1] Cc1nc(cs1)C(=O)N(C)CC1CC[NH+](CC1)CC[*:1]
COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2csc(C)n2)CC1 Cc1nc(cs1)[*:1] COc1ccccc1CC[NH+]1CCC(CC1)CN(C)C(=O)[*:1]
O=C(Cn1cnnn1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 c1nnnn1C[*:1] O=C(NC1CC1)c1cc(ccc1Cl)NC(=O)[*:1]
O=C(Cn1cnnn1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(Cn1cnnn1)Nc1ccc(Cl)c(c1)C(=O)N[*:1]
O=C(Cn1cnnn1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(Cn1cnnn1)Nc1ccc(Cl)c(c1)[*:1]
O=C(Cn1cnnn1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 c1nnnn1[*:1] O=C(C[*:1])Nc1ccc(Cl)c(c1)C(=O)NC1CC1
COC(=O)Cn1/c(=N\C(=O)COc2ccc(OC)cc2)sc2cc(C)ccc21 COC(=O)C[*:1] COc1ccc(cc1)OCC(=O)/N=c1/sc2cc(C)ccc2n1[*:1]
COC(=O)Cn1/c(=N\C(=O)COc2ccc(OC)cc2)sc2cc(C)ccc21 COC(=O)[*:1] COc1ccc(cc1)OCC(=O)/N=c1/sc2cc(C)ccc2n1C[*:1]
COC(=O)Cn1/c(=N\C(=O)COc2ccc(OC)cc2)sc2cc(C)ccc21 COc1ccc(cc1)O[*:1] COC(=O)Cn1/c(=N\C(=O)C[*:1])sc2cc(C)ccc21
COC(=O)Cn1/c(=N\C(=O)COc2ccc(OC)cc2)sc2cc(C)ccc21 COc1ccc(cc1)[*:1] COC(=O)Cn1/c(=N\C(=O)CO[*:1])sc2cc(C)ccc21
C=CCOc1ccccc1C(=O)NNC(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C=CCOc1ccccc1C(=O)NNC(=O)[*:1]
C=CCOc1ccccc1C(=O)NNC(=O)c1cccc(Cl)c1 C=CCO[*:1] O=C(NNC(=O)c1ccccc1[*:1])c1cccc(Cl)c1
C=CCOc1ccccc1C(=O)NNC(=O)c1cccc(Cl)c1 C=CC[*:1] O=C(NNC(=O)c1ccccc1O[*:1])c1cccc(Cl)c1
CC1=C(C(=O)N2CC[NH+](C)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 O=[N+]([O-])[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)N1CC[NH+](C)CC1)c1ccc(cc1)[*:1]
CC1=C(C(=O)N2CC[NH+](C)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 O=[N+]([O-])c1ccc(cc1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)N1CC[NH+](C)CC1)[*:1]
OC[C@@H](O)Cn1cnc2c(NO)ncnc21 OC[C@@H](O)[*:1] ONc1ncnc2c1ncn2C[*:1]
OC[C@@H](O)Cn1cnc2c(NO)ncnc21 OC[C@@H](O)C[*:1] ONc1ncnc2c1ncn2[*:1]
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)NC(=O)CCNS(=O)(=O)[*:1]
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)N[*:1]
COc1ccc(OC)c(CN2CCCn3cccc3[C@H]2c2ccccc2C)c1 Cc1ccccc1[*:1] COc1ccc(OC)c(c1)CN1CCCn2cccc2[C@@H]1[*:1]
Cn1c(=O)c2c(SCc3cccc(Cl)c3)nc(-c3cccs3)nc2n(C)c1=O c1csc(c1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)[*:1])SCc1cccc(Cl)c1
Cn1c(=O)c2c(SCc3cccc(Cl)c3)nc(-c3cccs3)nc2n(C)c1=O Clc1cccc(c1)C[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1cccs1)S[*:1]
Cn1c(=O)c2c(SCc3cccc(Cl)c3)nc(-c3cccs3)nc2n(C)c1=O Clc1cccc(c1)CS[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1cccs1)[*:1]
Cn1c(=O)c2c(SCc3cccc(Cl)c3)nc(-c3cccs3)nc2n(C)c1=O Clc1cccc(c1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1cccs1)SC[*:1]
CCOC(=O)c1cccc(NCc2ccccn2)n1 CCOC(=O)[*:1] c1ccc(CNc2cccc(n2)[*:1])nc1
CCOC(=O)c1cccc(NCc2ccccn2)n1 c1ccc(nc1)[*:1] CCOC(=O)c1cccc(n1)NC[*:1]
CCCNC(=O)N1CCC[C@@H](C(=O)OCC)C1 CCC[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CCCNC(=O)N1CCC[C@@H](C(=O)OCC)C1 CCOC(=O)[*:1] CCCNC(=O)N1CCC[C@@H](C1)[*:1]
CCOc1ccc(CN2CCN(C(=O)c3ccncc3Cl)CC2)cc1 CCO[*:1] O=C(c1ccncc1Cl)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CCOc1ccc(CN2CCN(C(=O)c3ccncc3Cl)CC2)cc1 Clc1cnccc1[*:1] CCOc1ccc(cc1)CN1CCN(CC1)C(=O)[*:1]
O=C(NCCOC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1ccncc1 Clc1ccccc1[*:1] O=C(NCCOC(=O)[C@H]1C[C@H]1[*:1])c1ccncc1
O=C(NCCOC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1ccncc1 c1cc(ccn1)[*:1] O=C(OCCNC(=O)[*:1])[C@H]1C[C@@H]1c1ccccc1Cl
C[C@@H](CN1CCOCC1)N1CCN([C@H](C)C(F)(F)F)CC1 C1CN(CCO1)[*:1] C[C@@H](C[*:1])N1CCN(CC1)[C@H](C)C(F)(F)F
C[C@@H](CN1CCOCC1)N1CCN([C@H](C)C(F)(F)F)CC1 C1CN(CCO1)C[*:1] C[C@@H](N1CCN(CC1)[C@H](C)C(F)(F)F)[*:1]
C[C@@H](CN1CCOCC1)N1CCN([C@H](C)C(F)(F)F)CC1 C[C@H](C(F)(F)F)[*:1] C[C@@H](CN1CCOCC1)N1CCN(CC1)[*:1]
C[C@@H](CN1CCOCC1)N1CCN([C@H](C)C(F)(F)F)CC1 FC(F)(F)[*:1] C[C@@H](CN1CCOCC1)N1CCN(CC1)[C@H](C)[*:1]
O=C(NCCNC(=O)c1coc(-c2ccccc2)n1)c1cccnc1 c1ccc(cc1)[*:1] O=C(NCCNC(=O)c1coc(n1)[*:1])c1cccnc1
O=C(NCCNC(=O)c1coc(-c2ccccc2)n1)c1cccnc1 c1cncc(c1)[*:1] O=C(NCCNC(=O)[*:1])c1coc(n1)-c1ccccc1
C[C@@H]1[C@@H]([NH2+]Cc2ccc(C(N)=O)o2)CC(=O)N1Cc1ccccc1 NC(=O)c1ccc(o1)[*:1] C[C@@H]1[C@H](CC(=O)N1Cc1ccccc1)[NH2+]C[*:1]
C[C@@H]1[C@@H]([NH2+]Cc2ccc(C(N)=O)o2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1[C@H](CC(=O)N1[*:1])[NH2+]Cc1ccc(o1)C(N)=O
C[C@@H]1[C@@H]([NH2+]Cc2ccc(C(N)=O)o2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1[C@H](CC(=O)N1C[*:1])[NH2+]Cc1ccc(o1)C(N)=O
C[C@@H]1[C@@H]([NH2+]Cc2ccc(C(N)=O)o2)CC(=O)N1Cc1ccccc1 NC(=O)[*:1] C[C@@H]1[C@H](CC(=O)N1Cc1ccccc1)[NH2+]Cc1ccc(o1)[*:1]
O=C([O-])c1ccc(C(F)(F)F)nc1NC[C@@H]1CCOC1 C1C[C@H](CO1)C[*:1] O=C([O-])c1ccc(nc1N[*:1])C(F)(F)F
O=C([O-])c1ccc(C(F)(F)F)nc1NC[C@@H]1CCOC1 O=C([O-])[*:1] FC(F)(F)c1ccc(c(n1)NC[C@@H]1CCOC1)[*:1]
O=C([O-])c1ccc(C(F)(F)F)nc1NC[C@@H]1CCOC1 FC(F)(F)[*:1] O=C([O-])c1ccc(nc1NC[C@@H]1CCOC1)[*:1]
O=C([O-])c1ccc(C(F)(F)F)nc1NC[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C([O-])c1ccc(nc1NC[*:1])C(F)(F)F
O=C1N=C2S[C@@H](c3ccc(F)cc3)[C@@H]3C(=O)Oc4ccccc4[C@H]3[C@@H]2S1 Fc1ccc(cc1)[*:1] O=C1N=C2S[C@@H]([C@@H]3C(=O)Oc4ccccc4[C@H]3[C@@H]2S1)[*:1]
N#C[C@@H](C(=O)NCc1ccccc1)C(=O)C1CCCC1 c1ccc(cc1)[*:1] N#C[C@@H](C(=O)NC[*:1])C(=O)C1CCCC1
N#C[C@@H](C(=O)NCc1ccccc1)C(=O)C1CCCC1 C1CCC(C1)[*:1] N#C[C@@H](C(=O)NCc1ccccc1)C(=O)[*:1]
CCc1onc(C)c1NC(=O)[C@H](C)c1ccsc1 c1cc(cs1)[*:1] CCc1onc(C)c1NC(=O)[C@H](C)[*:1]
Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H]1CCC(=O)N1 c1ccc(cc1)O[*:1] Cc1c(cccc1NC(=O)[C@@H]1CCC(=O)N1)C[*:1]
Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H]1CCC(=O)N1 c1ccc(cc1)OC[*:1] Cc1c(cccc1[*:1])NC(=O)[C@@H]1CCC(=O)N1
Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H]1CCC(=O)N1 c1ccc(cc1)[*:1] Cc1c(cccc1NC(=O)[C@@H]1CCC(=O)N1)CO[*:1]
COc1cccc(C[NH3+])c1OCc1nccs1 c1csc(n1)[*:1] COc1cccc(C[NH3+])c1OC[*:1]
CCOc1ccccc1C(=O)N1C[C@H](C)c2ccccc21 CCO[*:1] C[C@H]1CN(C(=O)c2ccccc2[*:1])c2ccccc21
Cc1ccc(-n2cc(C(=O)NCc3ccc(F)c(Cl)c3)nn2)cc1 Fc1ccc(cc1Cl)[*:1] Cc1ccc(cc1)-n1cc(nn1)C(=O)NC[*:1]
Cc1ccc(-n2cc(C(=O)NCc3ccc(F)c(Cl)c3)nn2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccc(F)c(Cl)c1)c1cn(nn1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)CSC[C@H]2CCC[C@H](C)C2)CC1 CC(C)N(C)C(=O)[*:1] C[C@H]1CCC[C@H](CSCC(=O)N2CCC(CC2)[*:1])C1
CC(C)N(C)C(=O)C1CCN(C(=O)CSC[C@H]2CCC[C@H](C)C2)CC1 CC(C)[*:1] C[C@H]1CCC[C@H](CSCC(=O)N2CCC(CC2)C(=O)N(C)[*:1])C1
COc1ccc(/N=C/Cc2nnnn2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)/N=C/Cc1nnnn1[*:1]
C(=C/c1ccccc1)\C[NH+]1CCN(CCn2cc[nH+]c2)CC1 c1ccc(cc1)[*:1] C(=C[*:1])C[NH+]1CCN(CCn2cc[nH+]c2)CC1
CC(C)c1csc(NC(=O)Cn2nnc(-c3ccccc3)n2)n1 c1ccc(cc1)[*:1] CC(C)c1csc(n1)NC(=O)Cn1nnc(n1)[*:1]
CC(C)c1csc(NC(=O)Cn2nnc(-c3ccccc3)n2)n1 CC(C)[*:1] O=C(Cn1nnc(n1)-c1ccccc1)Nc1nc(cs1)[*:1]
C=CCC[C@H](O)CN1CCCc2c1cccc2[N+](=O)[O-] C=CC[*:1] O=[N+]([O-])c1cccc2c1CCCN2C[C@@H](O)C[*:1]
C=CCC[C@H](O)CN1CCCc2c1cccc2[N+](=O)[O-] C=CCC[*:1] O=[N+]([O-])c1cccc2c1CCCN2C[C@@H](O)[*:1]
C=CCC[C@H](O)CN1CCCc2c1cccc2[N+](=O)[O-] O=[N+]([O-])[*:1] C=CCC[C@H](O)CN1CCCc2c1cccc2[*:1]
CCC(C)(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC(C)(C)C(=O)Nc1ccc(Br)c(c1)[*:1]
CCC(C)(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 CCC(C)(C)[*:1] O=C(Nc1ccc(Br)c(c1)[N+](=O)[O-])[*:1]
COc1ccc(/C=C/C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(/C=C/C(=O)NCc2ccccc2)cc1[*:1]
COc1ccc(/C=C/C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 c1ccc(cc1)C[*:1] COc1ccc(/C=C/C(=O)N[*:1])cc1S(=O)(=O)N1CCCCC1
COc1ccc(/C=C/C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 c1ccc(cc1)[*:1] COc1ccc(/C=C/C(=O)NC[*:1])cc1S(=O)(=O)N1CCCCC1
CCCn1c(CCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)nc2cc(S(=O)(=O)N3CCCC3)ccc21 O=S(=O)(N1CCCC1)[*:1] CCCn1c(CCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)nc2cc(ccc21)[*:1]
CCCn1c(CCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)nc2cc(S(=O)(=O)N3CCCC3)ccc21 CCC[*:1] O=C(CCc1nc2cc(ccc2n1[*:1])S(=O)(=O)N1CCCC1)N1CCC[C@@H]2CCCC[C@@H]21
Cn1nnnc1SCC(=O)Nc1ccc2c(c1)CCC2 Cn1nnnc1[*:1] O=C(CS[*:1])Nc1ccc2CCCc2c1
C[C@@H]1CC([NH+]2CCN(c3cccs3)CC2)C[C@@H](C)O1 c1csc(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)[NH+]1CCN(CC1)[*:1]
Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCc2cc(F)ccc2C1 NS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)CN1CCc2cc(F)ccc2C1)[*:1]
COc1cccc(CN(C)C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1 CC(C)O[*:1] COc1cccc(c1)CN(C)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1cccc(CN(C)C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1 CC(C)[*:1] COc1cccc(c1)CN(C)C(=O)N[C@H](C)c1ccc(cc1)O[*:1]
COc1cccc(CN(C)C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1 COc1cccc(c1)[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)NC(=O)N(C)C[*:1]
COc1c(F)ccc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1F c1cc2OCOc2cc1[*:1] COc1c(F)ccc(C(=O)N2CC[C@@H]([C@H](O)C2)[*:1])c1F
C[C@H](NC(=O)CCOc1ccccc1F)c1ccc2ccccc2c1 Fc1ccccc1O[*:1] C[C@H](NC(=O)CC[*:1])c1ccc2ccccc2c1
C[C@H](NC(=O)CCOc1ccccc1F)c1ccc2ccccc2c1 Fc1ccccc1[*:1] C[C@H](NC(=O)CCO[*:1])c1ccc2ccccc2c1
Cc1cc(C)n(-c2ccc(NC(=O)NC3CC3)cn2)n1 C1CC1[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)NC(=O)N[*:1]
CCc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)cc1 NC(=O)[*:1] CCc1ccc(cc1)N(C[*:1])S(=O)(=O)c1ccccc1
CCc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)cc1 NC(=O)C[*:1] CCc1ccc(cc1)N(S(=O)(=O)c1ccccc1)[*:1]
CCc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)N(CC(N)=O)S(=O)(=O)[*:1]
CCS[C@@H](C(=O)N1CCCN(C(=O)c2cccc(C)c2)CC1)C(C)C CC(C)[*:1] CCS[C@@H](C(=O)N1CCCN(CC1)C(=O)c1cccc(C)c1)[*:1]
CCS[C@@H](C(=O)N1CCCN(C(=O)c2cccc(C)c2)CC1)C(C)C CCS[*:1] Cc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)[C@@H](C(C)C)[*:1]
CCS[C@@H](C(=O)N1CCCN(C(=O)c2cccc(C)c2)CC1)C(C)C Cc1cccc(c1)[*:1] CCS[C@@H](C(=O)N1CCCN(CC1)C(=O)[*:1])C(C)C
CCCc1ccc(OC(=O)[C@H]2CCCN2C(=O)OC)cc1 CCC[*:1] COC(=O)N1CCC[C@@H]1C(=O)Oc1ccc(cc1)[*:1]
CO[C@](C)(C(=O)Nc1cccc(Oc2cnccn2)c1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@](C)(C(=O)Nc1cccc(c1)Oc1cnccn1)[*:1]
CO[C@](C)(C(=O)Nc1cccc(Oc2cnccn2)c1)c1ccccc1 c1cnc(cn1)[*:1] CO[C@](C)(C(=O)Nc1cccc(c1)O[*:1])c1ccccc1
CO[C@](C)(C(=O)Nc1cccc(Oc2cnccn2)c1)c1ccccc1 c1cnc(cn1)O[*:1] CO[C@](C)(C(=O)Nc1cccc(c1)[*:1])c1ccccc1
Cc1ccsc1CN(C)C(=O)C(=O)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] Cc1ccsc1CN(C)C(=O)C(=O)Nc1ccccc1[*:1]
Cc1ccsc1CN(C)C(=O)C(=O)Nc1ccccc1N1CCCC1 Cc1ccsc1C[*:1] CN(C(=O)C(=O)Nc1ccccc1N1CCCC1)[*:1]
Cc1ccsc1CN(C)C(=O)C(=O)Nc1ccccc1N1CCCC1 Cc1ccsc1[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccccc1N1CCCC1
CC(C)OCC[C@@H]1CCC[C@]1([NH3+])C(N)=O CC(C)O[*:1] NC(=O)[C@@]1([NH3+])CCC[C@H]1CC[*:1]
CC(C)OCC[C@@H]1CCC[C@]1([NH3+])C(N)=O CC(C)OC[*:1] NC(=O)[C@@]1([NH3+])CCC[C@H]1C[*:1]
CC(C)OCC[C@@H]1CCC[C@]1([NH3+])C(N)=O NC(=O)[*:1] CC(C)OCC[C@@H]1CCC[C@@]1([NH3+])[*:1]
CC(C)OCC[C@@H]1CCC[C@]1([NH3+])C(N)=O CC(C)[*:1] NC(=O)[C@@]1([NH3+])CCC[C@H]1CCO[*:1]
Cn1nccc1CN(C[C@@H](O)c1ccccc1)C1CC1 C1CC1[*:1] Cn1nccc1CN(C[C@@H](O)c1ccccc1)[*:1]
Cn1nccc1CN(C[C@@H](O)c1ccccc1)C1CC1 c1ccc(cc1)[*:1] Cn1nccc1CN(C[C@@H](O)[*:1])C1CC1
Cn1nccc1CN(C[C@@H](O)c1ccccc1)C1CC1 Cn1nccc1[*:1] O[C@H](CN(C[*:1])C1CC1)c1ccccc1
O=C(Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nn1c(nc2ccccc2c1=O)-c1ccc(Br)cc1)c1ccc(cc1)[*:1]
O=C(Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 Brc1ccc(cc1)[*:1] O=C(Nn1c(nc2ccccc2c1=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Nn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Nn1c(nc2ccccc2c1=O)-c1ccc(Br)cc1)[*:1]
CN(C)C(=O)c1ccc(N[C@@H]2CC2(C)C)nn1 CC1(C)C[C@H]1[*:1] CN(C)C(=O)c1ccc(nn1)N[*:1]
CN(C)C(=O)c1ccc(N[C@@H]2CC2(C)C)nn1 CN(C)C(=O)[*:1] CC1(C)C[C@H]1Nc1ccc(nn1)[*:1]
CCCCOC(=O)CN1CC(=O)N2CCCC[C@@H]2C1=O CCC[*:1] O=C(CN1CC(=O)N2CCCC[C@@H]2C1=O)OC[*:1]
CCCCOC(=O)CN1CC(=O)N2CCCC[C@@H]2C1=O CCCC[*:1] O=C(CN1CC(=O)N2CCCC[C@@H]2C1=O)O[*:1]
O=C(CCc1ccncc1)N[C@@H]1c2ccccc2C[C@@H]1O c1cc(ccn1)[*:1] O=C(CC[*:1])N[C@@H]1c2ccccc2C[C@@H]1O
O=C(CCc1ccncc1)N[C@@H]1c2ccccc2C[C@@H]1O c1cc(ccn1)C[*:1] O=C(C[*:1])N[C@@H]1c2ccccc2C[C@@H]1O
C[C@H](Sc1ccccn1)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)N(C)[C@@H]1CCCN(C1=O)c1ccccc1
C[C@H](Sc1ccccn1)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O c1ccc(nc1)S[*:1] C[C@H](C(=O)N(C)[C@@H]1CCCN(C1=O)c1ccccc1)[*:1]
C[C@H](Sc1ccccn1)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@H](Sc1ccccn1)C(=O)N(C)[C@@H]1CCCN(C1=O)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)C1 FC(F)O[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)C1 FC(F)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)N[C@H](C)c1ccc(cc1)O[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)C1 CCOC(=O)[*:1] C[C@@H](NC(=O)N1CCC[C@H](C1)[*:1])c1ccc(cc1)OC(F)F
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCOCC3)cc2c1 c1ccc(cc1)C[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1[*:1])N1CCOCC1
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCOCC3)cc2c1 C1CN(CCO1)[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1Cc1ccccc1)[*:1]
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCOCC3)cc2c1 c1ccc(cc1)[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1C[*:1])N1CCOCC1
N#Cc1ccc(N(C(=O)c2ccc(OCC(F)(F)F)nc2)C2CC2)cc1 FC(F)(F)CO[*:1] N#Cc1ccc(cc1)N(C(=O)c1ccc(nc1)[*:1])C1CC1
N#Cc1ccc(N(C(=O)c2ccc(OCC(F)(F)F)nc2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)c1ccc(nc1)OCC(F)(F)F)[*:1]
N#Cc1ccc(N(C(=O)c2ccc(OCC(F)(F)F)nc2)C2CC2)cc1 FC(F)(F)C[*:1] N#Cc1ccc(cc1)N(C(=O)c1ccc(nc1)O[*:1])C1CC1
N#Cc1ccc(N(C(=O)c2ccc(OCC(F)(F)F)nc2)C2CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(c1ccc(nc1)OCC(F)(F)F)N(C1CC1)[*:1]
N#Cc1ccc(N(C(=O)c2ccc(OCC(F)(F)F)nc2)C2CC2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)N(C(=O)c1ccc(nc1)OC[*:1])C1CC1
O=C(Cn1cnc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Cn1cnc2ccccc21)Nc1ccc(cc1)O[*:1]
O=C(Cn1cnc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(Cn1cnc2ccccc21)Nc1ccc(cc1)[*:1]
COC[C@@H](C)CC(=O)N(C)CC[C@H]1CCCC[NH2+]1 COC[C@@H](C)[*:1] CN(CC[C@H]1CCCC[NH2+]1)C(=O)C[*:1]
COC[C@@H](C)CC(=O)N(C)CC[C@H]1CCCC[NH2+]1 COC[C@@H](C)C[*:1] CN(CC[C@H]1CCCC[NH2+]1)C(=O)[*:1]
COC[C@@H](C)CC(=O)N(C)CC[C@H]1CCCC[NH2+]1 COC[*:1] C[C@@H](CC(=O)N(C)CC[C@H]1CCCC[NH2+]1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O Cc1cccc(c1[*:1])C(C)C C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(C#N)cc1
Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O CC(C)[*:1] Cc1cccc(c1NC(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(C#N)cc1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O N#Cc1ccc(cc1)[*:1] Cc1cccc(c1NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1])C(C)C
Cc1cc(C)cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 Cc1cc(C)cc(c1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)NNC(=O)[*:1]
Cc1cc(C)cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 CS(=O)(=O)[*:1] Cc1cc(C)cc(c1)C(=O)NNC(=O)c1cccc(c1)[*:1]
COCc1nc(CSc2nc3cc(Cl)ccc3[nH]2)cs1 COC[*:1] Clc1ccc2[nH]c(nc2c1)SCc1csc(n1)[*:1]
CCOc1ccc(CNC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1F CCO[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1ccc(c(F)c1)[*:1]
CCOc1ccc(CNC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1F c1ccc(cc1)[*:1] CCOc1ccc(cc1F)CNC(=O)NCc1c(C)nn(c1C)[*:1]
CCCNc1ncc(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)cn1 CCCN[*:1] CN(C)C(=O)NCc1cc2CN(CCn2n1)Cc1cnc(nc1)[*:1]
CCCNc1ncc(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)cn1 CN(C)C(=O)NC[*:1] CCCNc1ncc(cn1)CN1CCn2nc(cc2C1)[*:1]
CCCNc1ncc(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)cn1 CCC[*:1] CN(C)C(=O)NCc1cc2CN(CCn2n1)Cc1cnc(nc1)N[*:1]
CCCNc1ncc(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)cn1 CN(C)C(=O)N[*:1] CCCNc1ncc(cn1)CN1CCn2nc(cc2C1)C[*:1]
Cc1nc(Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)no1 Cc1nc(C[*:1])no1 O=c1oc2cc(ccc2n1[*:1])S(=O)(=O)N1CCCC1
Cc1nc(Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)no1 O=S(=O)(N1CCCC1)[*:1] Cc1nc(Cn2c(=O)oc3cc(ccc32)[*:1])no1
Cc1nc(Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)no1 Cc1nc(no1)[*:1] O=c1oc2cc(ccc2n1C[*:1])S(=O)(=O)N1CCCC1
Cc1cccc(C[NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(COc1ccc(Br)cc1)N1CC[NH+](CC1)C[*:1]
Cc1cccc(C[NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1 Brc1ccc(cc1)O[*:1] Cc1cccc(c1)C[NH+]1CCN(CC1)C(=O)C[*:1]
Cc1cccc(C[NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1 Cc1cccc(c1)C[*:1] O=C(COc1ccc(Br)cc1)N1CC[NH+](CC1)[*:1]
Cc1cccc(C[NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1 Brc1ccc(cc1)[*:1] Cc1cccc(c1)C[NH+]1CCN(CC1)C(=O)CO[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)[C@@H]1CCC[C@H](C1)[*:1]
COc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc2c(=O)cc(oc2c1C)C(=O)NC[C@@H](N1CCOCC1)[*:1]
COc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1cc(=O)c2ccc(C)c(C)c2o1)[*:1]
CC(C)(C)OC(=O)n1cnc2cc(N)ccc21 CC(C)(C)[*:1] Nc1ccc2c(c1)ncn2C(=O)O[*:1]
CCC(CC)N(C)C(=O)Nc1cc(C)cc(C)c1 CCC(CC)[*:1] Cc1cc(C)cc(c1)NC(=O)N(C)[*:1]
COc1ccccc1NC(=O)C(=O)NCc1nccc2ccccc12 COc1ccccc1[*:1] O=C(NCc1nccc2ccccc12)C(=O)N[*:1]
C#Cc1cccc(NC(=S)NNC(=O)CNC(=O)c2ccc(F)cc2F)c1 C#Cc1cccc(c1)[*:1] O=C(CNC(=O)c1ccc(F)cc1F)NNC(=S)N[*:1]
C#Cc1cccc(NC(=S)NNC(=O)CNC(=O)c2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] C#Cc1cccc(c1)NC(=S)NNC(=O)CNC(=O)[*:1]
C[NH2+][C@H](c1cccc(C)c1)c1cccc(C(F)(F)F)c1F Cc1cccc(c1)[*:1] C[NH2+][C@H](c1cccc(c1F)C(F)(F)F)[*:1]
C[NH2+][C@H](c1cccc(C)c1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] C[NH2+][C@H](c1cccc(C)c1)c1cccc(c1F)[*:1]
O=C(c1ccc(Br)c(Cl)c1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(c1ccc(Br)c(Cl)c1)N1CCOC[C@H]1[*:1]
CC[C@]1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCCN5CCOCC5)ncnc4c23)CO1 C1CN(CCO1)CC[*:1] CC[C@]1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)N[*:1])N1CCOCC1
CC[C@]1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCCN5CCOCC5)ncnc4c23)CO1 C(CN1CCOCC1)N[*:1] CC[C@]1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)[*:1])N1CCOCC1
CC[C@]1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCCN5CCOCC5)ncnc4c23)CO1 C1CN(CCO1)C[*:1] CC[C@]1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)NC[*:1])N1CCOCC1
CC[C@]1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCCN5CCOCC5)ncnc4c23)CO1 C1CN(CCO1)[*:1] CC[C@]1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)NCCN1CCOCC1)[*:1]
CC[C@]1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCCN5CCOCC5)ncnc4c23)CO1 C1CN(CCO1)[*:1] CC[C@]1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)NCC[*:1])N1CCOCC1
COc1ccc(-c2n[nH]cc2C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(F)c1 O=C(N1CCCC1)[*:1] COc1ccc(c(F)c1)-c1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
COc1ccc(-c2n[nH]cc2C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(F)c1 COc1ccc(c(F)c1)[*:1] O=C(C1CC[NH+](CC1)Cc1c[nH]nc1[*:1])N1CCCC1
COc1ccccc1/C=C/C(=O)N(C)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1/C=C/C(=O)N(C)[C@@H](C)[*:1]
CCOC(=O)[C@@H](F)c1ccc(F)c(F)c1 CCOC(=O)[*:1] Fc1ccc(cc1F)[C@H](F)[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1C CC(C)NC(=O)CS[*:1] C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1C CC(C)NC(=O)C[*:1] C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1S[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1C CC(C)NC(=O)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1SC[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1C CC(C)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1SCC(=O)N[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1c[nH]c2ccccc12 c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1c[nH]c2ccccc12
O=C(NCc1ccccc1F)C1CCC(Cn2cnnn2)CC1 Fc1ccccc1[*:1] O=C(NC[*:1])C1CCC(CC1)Cn1cnnn1
O=C(NCc1ccccc1F)C1CCC(Cn2cnnn2)CC1 c1nnnn1C[*:1] O=C(NCc1ccccc1F)C1CCC(CC1)[*:1]
O=C(NCc1ccccc1F)C1CCC(Cn2cnnn2)CC1 c1nnnn1[*:1] O=C(NCc1ccccc1F)C1CCC(CC1)C[*:1]
COCc1cc(NC(=O)NCc2ccc(C)c(F)c2)ncn1 COC[*:1] Cc1ccc(cc1F)CNC(=O)Nc1cc(ncn1)[*:1]
Cc1cc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c2cnn(C(C)C)c2n1 Fc1ccc(cc1)OC[*:1] Cc1cc(C(=O)N2CCC[C@H](C2)[*:1])c2cnn(c2n1)C(C)C
Cc1cc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c2cnn(C(C)C)c2n1 Fc1ccc(cc1)O[*:1] Cc1cc(C(=O)N2CCC[C@@H](C2)C[*:1])c2cnn(c2n1)C(C)C
Cc1cc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c2cnn(C(C)C)c2n1 CC(C)[*:1] Cc1cc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c2cnn(c2n1)[*:1]
Cc1cc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c2cnn(C(C)C)c2n1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCC[C@H](CO[*:1])C2)c2cnn(c2n1)C(C)C
OCc1cn(-c2ccc(F)c(Cl)c2)nc1-c1ccc2c(c1)OCCO2 Fc1ccc(cc1Cl)[*:1] OCc1cn(nc1-c1ccc2OCCOc2c1)[*:1]
Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)Nc3ccccc3F)c(=O)c12 O=C(C[*:1])Nc1ccccc1F Cc1c(sc2ncn(c(=O)c12)[*:1])-c1nc(no1)-c1ccccc1
Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)Nc3ccccc3F)c(=O)c12 c1ccc(cc1)[*:1] Cc1c(sc2ncn(CC(=O)Nc3ccccc3F)c(=O)c12)-c1nc(no1)[*:1]
Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)Nc3ccccc3F)c(=O)c12 c1ccc(cc1)-c1noc(n1)[*:1] Cc1c(sc2ncn(CC(=O)Nc3ccccc3F)c(=O)c12)[*:1]
Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)Nc3ccccc3F)c(=O)c12 Fc1ccccc1[*:1] Cc1c(sc2ncn(CC(=O)N[*:1])c(=O)c12)-c1nc(no1)-c1ccccc1
Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)Nc3ccccc3F)c(=O)c12 O=C(Nc1ccccc1F)[*:1] Cc1c(sc2ncn(C[*:1])c(=O)c12)-c1nc(no1)-c1ccccc1
C[C@H](SCCO)c1ccccc1 OCC[*:1] C[C@H](S[*:1])c1ccccc1
C[C@H](SCCO)c1ccccc1 OCCS[*:1] C[C@H](c1ccccc1)[*:1]
CCOC(=O)[C@@H]1[C@H](c2ccccc2Cl)NC(=O)N[C@]1(O)C(F)(F)F CCOC(=O)[*:1] O=C1N[C@@H](c2ccccc2Cl)[C@H]([C@](O)(N1)C(F)(F)F)[*:1]
CCOC(=O)[C@@H]1[C@H](c2ccccc2Cl)NC(=O)N[C@]1(O)C(F)(F)F Clc1ccccc1[*:1] CCOC(=O)[C@@H]1[C@H](NC(=O)N[C@]1(O)C(F)(F)F)[*:1]
CCOC(=O)[C@@H]1[C@H](c2ccccc2Cl)NC(=O)N[C@]1(O)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@@H]1[C@@H](NC(=O)N[C@@]1(O)[*:1])c1ccccc1Cl
C[C@H]1C(=O)N[C@@H](C(C)(C)C)C(=O)N1CC1C(C)(C)C1(C)C CC(C)(C)[*:1] C[C@H]1C(=O)N[C@@H](C(=O)N1CC1C(C)(C)C1(C)C)[*:1]
C[C@H]1C(=O)N[C@@H](C(C)(C)C)C(=O)N1CC1C(C)(C)C1(C)C CC1(C)C(C1(C)C)[*:1] C[C@H]1C(=O)N[C@H](C(=O)N1C[*:1])C(C)(C)C
COC(=O)c1ccc(C)c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)N1CCC[C@@H](C1)c1[nH]cc[nH+]1)[*:1]
CCCC[n+]1c(C)csc1Nc1ncccc1O CCC[*:1] Cc1csc(Nc2ncccc2O)[n+]1C[*:1]
CCCC[n+]1c(C)csc1Nc1ncccc1O CCCC[*:1] Cc1csc(Nc2ncccc2O)[n+]1[*:1]
O=C1CC2(CCCC2)C(=O)N1CCOc1ccccc1Cl Clc1ccccc1[*:1] O=C1CC2(CCCC2)C(=O)N1CCO[*:1]
Cc1cc(CN2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)on1 Cc1cc(C[*:1])on1 O=C(Nc1ccc(Cl)c(c1)C(F)(F)F)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)on1 Cc1cc(on1)[*:1] O=C(Nc1ccc(Cl)c(c1)C(F)(F)F)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)on1 FC(F)(F)[*:1] Cc1cc(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(c2)[*:1])on1
Cc1c(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)cnn1C CC(C)(C)[*:1] Cc1c(cnn1C)CNc1ccc2c(c1)[nH+]c(n2C)[*:1]
Cc1c(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)cnn1C Cc1c(cnn1C)[*:1] Cn1c([nH+]c2cc(ccc21)NC[*:1])C(C)(C)C
CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2-n2cnnn2)C1(C)C c1nnnn1[*:1] CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2[*:1])C1(C)C
CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2-n2cnnn2)C1(C)C CC(C)=C[*:1] CC1(C)[C@@H](C(=O)Nc2ccccc2-n2cnnn2)[C@@H]1[*:1]
Cc1noc(-c2ccc(NC(=O)c3ccco3)cc2)n1 Cc1noc(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccco1
Cc1noc(-c2ccc(NC(=O)c3ccco3)cc2)n1 c1coc(c1)[*:1] Cc1noc(n1)-c1ccc(cc1)NC(=O)[*:1]
CC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc2c(c1)OCCO2 O=[N+]([O-])[*:1] CC[C@H](Nc1ccc(cc1C#N)[*:1])c1ccc2OCCOc2c1
O=C1CCC(=O)N1CC(=O)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 O=C1CCC(=O)N1[*:1] O=C(C[*:1])N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21
O=C1CCC(=O)N1CC(=O)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 O=C1CCC(=O)N1C[*:1] O=C1[C@H]2CCCN2C(=O)c2ccccc2N1C(=O)[*:1]
COc1ccccc1/C=C(C#N)/C([O-])=N/c1nnc(C2CC2)s1 C1CC1[*:1] COc1ccccc1/C=C(C#N)/C([O-])=N/c1nnc(s1)[*:1]
CCCCCCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] CCC[*:1] O=C([O-])[C@H]1C[C@H](O)CN1C(=O)CCC[*:1]
CCCCCCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] CCCCC[*:1] O=C([O-])[C@H]1C[C@H](O)CN1C(=O)C[*:1]
CCCCCCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] CCCC[*:1] O=C([O-])[C@H]1C[C@H](O)CN1C(=O)CC[*:1]
CCCCCCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] CCCCCCC(=O)N1C[C@@H](O)C[C@H]1[*:1]
CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)C(F)(F)F)CC1 FC(F)(F)[*:1] CCCC(=O)N1CCN(CC1)c1ccc(Cl)cc1NC(=O)[*:1]
CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)C(F)(F)F)CC1 CCC[*:1] O=C(Nc1cc(Cl)ccc1N1CCN(CC1)C(=O)[*:1])C(F)(F)F
CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)C(F)(F)F)CC1 O=C(N[*:1])C(F)(F)F CCCC(=O)N1CCN(CC1)c1ccc(Cl)cc1[*:1]
COc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(O)c2)cc1Cl Oc1cccc(c1)[*:1] COc1ccc(cc1Cl)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
COc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(O)c2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(O)c2)N1[*:1]
CCc1cc[n+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] CCc1cc[n+](cc1)[C@H](C)C(=O)Nc1ccccc1[*:1]
CCCCCNC(=O)[C@H](C)Sc1ccc(N)c(F)c1 CCC[*:1] C[C@H](Sc1ccc(N)c(F)c1)C(=O)NCC[*:1]
CCCCCNC(=O)[C@H](C)Sc1ccc(N)c(F)c1 CCCCC[*:1] C[C@H](Sc1ccc(N)c(F)c1)C(=O)N[*:1]
CCCCCNC(=O)[C@H](C)Sc1ccc(N)c(F)c1 CCCC[*:1] C[C@H](Sc1ccc(N)c(F)c1)C(=O)NC[*:1]
COc1ccc(-n2c(SCC(=O)Nc3cccc4ccccc34)nnc2-c2ccncc2)cc1 c1ccc2c(cccc2c1)[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
COc1ccc(-n2c(SCC(=O)Nc3cccc4ccccc34)nnc2-c2ccncc2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])Nc1cccc2ccccc12
COc1ccc(-n2c(SCC(=O)Nc3cccc4ccccc34)nnc2-c2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)Nc1cccc2ccccc12
O=C(c1cn(-c2ccccc2)nn1)N1CCC[C@H]1c1ccc[nH]1 c1ccc(cc1)[*:1] O=C(c1cn(nn1)[*:1])N1CCC[C@H]1c1ccc[nH]1
O=C(c1cn(-c2ccccc2)nn1)N1CCC[C@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(c1cn(nn1)-c1ccccc1)N1CCC[C@@H]1[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(OC)cc2)C1 CCOC(=O)[*:1] COc1ccc(cc1)CNC(=O)N1CCC[C@H](C1)[*:1]
CC1(C)C[C@@H](NC(=O)c2ccc3ccn(Cc4ccccc4)c3c2)CCO1 c1ccc(cc1)C[*:1] CC1(C)C[C@H](CCO1)NC(=O)c1ccc2ccn(c2c1)[*:1]
CC1(C)C[C@@H](NC(=O)c2ccc3ccn(Cc4ccccc4)c3c2)CCO1 c1ccc(cc1)[*:1] CC1(C)C[C@H](CCO1)NC(=O)c1ccc2ccn(C[*:1])c2c1
CCS(=O)(=O)[N-]c1ccccc1C1=NN(C(C)=O)[C@@H](c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] CCS(=O)(=O)[N-]c1ccccc1C1C[C@H](N(N=1)C(C)=O)[*:1]
Cc1ccc(NC(=O)CSc2nncn2C(C)C)cc1C CC(C)[*:1] Cc1ccc(cc1C)NC(=O)CSc1nncn1[*:1]
CCOC[C@H]1CCN(C(=O)Nc2cccnc2C)C1 CCO[*:1] Cc1ncccc1NC(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)Nc2cccnc2C)C1 CCOC[*:1] Cc1ncccc1NC(=O)N1CC[C@@H](C1)[*:1]
CC[C@](C)([NH3+])C(=O)N1CC[C@H](COC)C1 COC[*:1] CC[C@](C)([NH3+])C(=O)N1CC[C@H](C1)[*:1]
O=C(Cc1ccc[nH]1)N1CCN(C(=O)CC(F)(F)F)CC1 c1c[nH]c(c1)C[*:1] O=C(CC(F)(F)F)N1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccc[nH]1)N1CCN(C(=O)CC(F)(F)F)CC1 c1c[nH]c(c1)[*:1] O=C(CC(F)(F)F)N1CCN(CC1)C(=O)C[*:1]
O=C(Cc1ccc[nH]1)N1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)[*:1] O=C(Cc1ccc[nH]1)N1CCN(CC1)C(=O)C[*:1]
O=C(Cc1ccc[nH]1)N1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)C[*:1] O=C(Cc1ccc[nH]1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)N3CCOCC3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](OC(=O)C1CCN(CC1)S(=O)(=O)[*:1])C(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)N3CCOCC3)CC2)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)O[C@@H](C)[*:1]
CN(NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(NC(=O)c1cnn(c1)[*:1])c1ccccc1
CN(NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(NC(=O)c1cnn(c1)-c1ccccc1)[*:1]
COc1ccc(C(=O)[C@H]2CCCN(c3ncnc4[nH]ccc34)C2)c(OC)c1 c1nc(c2cc[nH]c2n1)[*:1] COc1ccc(C(=O)[C@H]2CCCN(C2)[*:1])c(c1)OC
CCc1nn(C)c(C[C@@H]([NH3+])C(C)(C)N2CCOCC2)c1Br C1CN(CCO1)[*:1] CCc1nn(C)c(C[C@@H]([NH3+])C(C)(C)[*:1])c1Br
CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)CC)CC1 CCC[*:1] CCS(=O)(=O)[N-]c1cc(ccc1N1CC[NH+](CC1)[*:1])C(=O)[O-]
CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)CC)CC1 CCS(=O)(=O)[N-][*:1] CCC[NH+]1CCN(CC1)c1ccc(cc1[*:1])C(=O)[O-]
CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)CC)CC1 O=C([O-])[*:1] CCC[NH+]1CCN(CC1)c1ccc(cc1[N-]S(=O)(=O)CC)[*:1]
COCc1ccccc1C(=O)Nc1nc2ccc(OC)cc2s1 COC[*:1] COc1ccc2nc(NC(=O)c3ccccc3[*:1])sc2c1
C[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1F Fc1ccccc1[*:1] C[C@H](Nc1ccc2NC(=O)CCc2c1)[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 COc1ccc(cc1)[*:1] CC(=O)N1c2ccccc2NC2C[C@H](CC(=O)C=2[C@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(C)=O)[C@H]2[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(C)=O)[C@@H]2c1cccc(c1)[*:1]
CC[C@H](Sc1cc(C)ncn1)C(=O)Nc1nc2ccc(C)cc2s1 Cc1cc(ncn1)[*:1] CC[C@H](S[*:1])C(=O)Nc1nc2ccc(C)cc2s1
CC[C@H](Sc1cc(C)ncn1)C(=O)Nc1nc2ccc(C)cc2s1 Cc1cc(ncn1)S[*:1] CC[C@H](C(=O)Nc1nc2ccc(C)cc2s1)[*:1]
O=C(NCCc1ccco1)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 O=C(NCCc1ccco1)[*:1] Clc1ccc(cc1)N1CCN(CC1)c1nccc2ccc(cc12)[*:1]
O=C(NCCc1ccco1)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 c1coc(c1)CC[*:1] O=C(N[*:1])c1ccc2ccnc(c2c1)N1CCN(CC1)c1ccc(Cl)cc1
O=C(NCCc1ccco1)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 c1coc(c1)C[*:1] O=C(NC[*:1])c1ccc2ccnc(c2c1)N1CCN(CC1)c1ccc(Cl)cc1
O=C(NCCc1ccco1)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 Clc1ccc(cc1)[*:1] O=C(NCCc1ccco1)c1ccc2ccnc(c2c1)N1CCN(CC1)[*:1]
O=C(NCCc1ccco1)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 c1coc(c1)[*:1] O=C(NCC[*:1])c1ccc2ccnc(c2c1)N1CCN(CC1)c1ccc(Cl)cc1
CC(C)[NH+]1CCN(CCCOC(=O)NC(N)=O)CC1 CC(C)[*:1] NC(=O)NC(=O)OCCCN1CC[NH+](CC1)[*:1]
Cc1cc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)ccc1Br CS(=O)(=O)[*:1] Cc1cc(ccc1Br)NC(=O)c1ccc(cc1)C[*:1]
Cc1cc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)ccc1Br CS(=O)(=O)C[*:1] Cc1cc(ccc1Br)NC(=O)c1ccc(cc1)[*:1]
CC[C@@H](CCO)C[NH2+]Cc1cc2ccccc2[nH]c1=O OCC[*:1] CC[C@@H](C[NH2+]Cc1cc2ccccc2[nH]c1=O)[*:1]
O=C(Cc1noc2ccccc12)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(Cc1noc2ccccc12)N1CCC[C@@H]1[*:1]
Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)N[*:1] Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(cc1)[*:1]
Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(Nc2ccccc2)cc1 Cc1n[nH]c(C)c1C[*:1] O=C(C[*:1])Nc1ccc(cc1)Nc1ccccc1
Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(cc1)N[*:1]
Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(Nc2ccccc2)cc1 Cc1n[nH]c(C)c1[*:1] O=C(CC[*:1])Nc1ccc(cc1)Nc1ccccc1
Cc1nc(C)c(CCC(=O)N2CCN(C)C[C@H]2c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1nc(C)c(CCC(=O)N2CCN(C)C[C@@H]2[*:1])c(=O)[nH]1
COc1cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)ccc1N1CCCC1=O CC(=O)N[*:1] COc1cc(ccc1N1CCCC1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)[*:1]
COc1cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)ccc1N1CCCC1=O c1ccc2c(c[nH]c2c1)[*:1] COc1cc(ccc1N1CCCC1=O)NC(=O)[C@H](C[*:1])NC(C)=O
COc1cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)ccc1N1CCCC1=O c1ccc2c(c[nH]c2c1)C[*:1] COc1cc(ccc1N1CCCC1=O)NC(=O)[C@H](NC(C)=O)[*:1]
COc1cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)ccc1N1CCCC1=O O=C1CCCN1[*:1] COc1cc(ccc1[*:1])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Cc1cc(CN2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)CC2)on1 CC(C)[*:1] Cc1cc(CN2CCN(CC2)C(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[*:1])on1
Cc1cc(CN2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)CC2)on1 Clc1ccc(cc1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)[C@@H](NS(=O)(=O)[*:1])C(C)C)on1
Cc1cc(CN2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)CC2)on1 Cc1cc(C[*:1])on1 CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)CC2)on1 Cc1cc(on1)[*:1] CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)C[*:1]
O=C(/C=C/C1CCOCC1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(/C=C/C1CCOCC1)N[C@@H]1CCCC[C@H]1O[*:1]
O=C(/C=C/C1CCOCC1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CC(CCO1)[*:1] O=C(C=C[*:1])N[C@@H]1CCCC[C@H]1OC1CCCC1
O=C(/C=C/C1CCOCC1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(/C=C/C1CCOCC1)N[C@@H]1CCCC[C@@H]1[*:1]
C[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCOC[C@H]1C O=[N+]([O-])[*:1] C[C@@H](CNC(=O)N1CCc2ccc(cc2C1)[*:1])N1CCOC[C@H]1C
N#Cc1cccc(-c2ncnn2CCn2nc3ccccn3c2=O)c1 N#Cc1cccc(c1)[*:1] O=c1n(CCn2ncnc2[*:1])nc2ccccn12
C/C(=N\N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc([N+](=O)[O-])cc1 O=C([O-])C[*:1] C/C(=N\N=C1\NC(=O)[C@H](S1)[*:1])c1ccc(cc1)[N+](=O)[O-]
C/C(=N\N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc([N+](=O)[O-])cc1 O=C([O-])[*:1] C/C(=N\N=C1\NC(=O)[C@H](C[*:1])S1)c1ccc(cc1)[N+](=O)[O-]
C/C(=N\N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C/C(=N\N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(cc1)[*:1]
CCc1ccc([C@@H]2CCCCN2c2ccc3nnc(C)n3n2)o1 CCc1ccc(o1)[*:1] Cc1nnc2ccc(nn12)N1CCCC[C@H]1[*:1]
CCSC[C@@H](C)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] CS(=O)(=O)[*:1] CCSC[C@@H](C)N(C)c1ccc(cc1[N+](=O)[O-])[*:1]
CCSC[C@@H](C)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] CCSC[*:1] C[C@@H](N(C)c1ccc(cc1[N+](=O)[O-])S(C)(=O)=O)[*:1]
CCSC[C@@H](C)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCSC[C@@H](C)N(C)c1ccc(cc1[*:1])S(C)(=O)=O
CCSC[C@@H](C)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] CCS[*:1] C[C@H](C[*:1])N(C)c1ccc(cc1[N+](=O)[O-])S(C)(=O)=O
Cc1ccc(F)cc1NC(=O)c1nn(C)cc1C(=O)[O-] O=C([O-])[*:1] Cc1ccc(F)cc1NC(=O)c1nn(C)cc1[*:1]
Cc1ccc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)nc1 c1ccc(cc1)[*:1] Cc1ccc(nc1)C(=O)NC[C@@H](C)c1nc(no1)[*:1]
Cc1ccc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)nc1 Cc1ccc(nc1)[*:1] C[C@H](CNC(=O)[*:1])c1nc(no1)-c1ccccc1
CC(C)Cc1cc(C(=O)N2CCC([C@@H]3CC(=O)c4ccccc4O3)CC2)no1 CC(C)[*:1] O=C1C[C@H](Oc2ccccc21)C1CCN(CC1)C(=O)c1cc(C[*:1])on1
CC(C)Cc1cc(C(=O)N2CCC([C@@H]3CC(=O)c4ccccc4O3)CC2)no1 CC(C)C[*:1] O=C1C[C@H](Oc2ccccc21)C1CCN(CC1)C(=O)c1cc(on1)[*:1]
CC(C)Cc1cc(C(=O)N2CCC([C@@H]3CC(=O)c4ccccc4O3)CC2)no1 CC(C)Cc1cc(no1)[*:1] O=C1C[C@H](Oc2ccccc21)C1CCN(CC1)C(=O)[*:1]
FC(F)(F)c1ccc(Br)c(C2CC2)c1 C1CC1[*:1] FC(F)(F)c1ccc(Br)c(c1)[*:1]
FC(F)(F)c1ccc(Br)c(C2CC2)c1 FC(F)(F)[*:1] Brc1ccc(cc1C1CC1)[*:1]
O=C(CCN1CCCC1=O)NCC1([NH+]2CCCCC2)CCOCC1 O=C1CCCN1[*:1] O=C(CC[*:1])NCC1(CCOCC1)[NH+]1CCCCC1
O=C(CCN1CCCC1=O)NCC1([NH+]2CCCCC2)CCOCC1 O=C1CCCN1C[*:1] O=C(C[*:1])NCC1(CCOCC1)[NH+]1CCCCC1
O=C(CCN1CCCC1=O)NCC1([NH+]2CCCCC2)CCOCC1 O=C1CCCN1CC[*:1] O=C(NCC1(CCOCC1)[NH+]1CCCCC1)[*:1]
N#Cc1ccc(-c2noc(Cc3csc(N4CCNC4=O)n3)n2)nc1 O=C1NCCN1[*:1] N#Cc1ccc(nc1)-c1noc(Cc2csc(n2)[*:1])n1
N#Cc1ccc(-c2noc(Cc3csc(N4CCNC4=O)n3)n2)nc1 N#Cc1ccc(nc1)[*:1] O=C1NCCN1c1nc(cs1)Cc1nc(no1)[*:1]
C[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)[*:1]
Cc1ccsc1[C@@](C)(O)[C@@]1(C#N)CCOc2ccccc21 Cc1ccsc1[*:1] C[C@@](O)([C@@]1(C#N)CCOc2ccccc21)[*:1]
COCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1-c1ccccc1 c1ccc(cc1)[*:1] COCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1[*:1]
COCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1-c1ccccc1 COC[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
COCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1-c1ccccc1 Cc1ccc(C)c(c1)[*:1] COCc1nnc(SCC(=O)N[*:1])n1-c1ccccc1
NC(=O)c1c(F)cc(Br)cc1N1CCO[C@H](c2ccco2)C1 NC(=O)[*:1] Fc1cc(Br)cc(c1[*:1])N1CCO[C@@H](C1)c1ccco1
NC(=O)c1c(F)cc(Br)cc1N1CCO[C@H](c2ccco2)C1 c1coc(c1)[*:1] NC(=O)c1c(F)cc(Br)cc1N1CCO[C@H](C1)[*:1]
CC(C)[NH2+]C/C=C/c1ccc(C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)c1ccc(/C=C/C[NH2+][*:1])cc1
CC(C)[NH2+]C/C=C/c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)[NH2+]C/C=C/c1ccc(cc1)[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(c2cc(C(N)=O)ccn2)CC1 NC(=O)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)c1cc(ccn1)[*:1]
COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 CC1(C)CS(=O)(=O)N(C1=O)[*:1] COc1ccc(cc1S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NC[*:1])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
Cc1cc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C)o1 Fc1cc(ccc1Cl)[*:1] Cc1cc(CNC(=O)N[C@H]2CCO[C@H]2[*:1])c(C)o1
Cc1cc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C)o1 Cc1cc(C[*:1])c(C)o1 O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc2O1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccccc1[*:1])[C@H]1COc2ccccc2O1
CCOCC(=O)NNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOCC(=O)NNC(=O)/C=C/c1ccc(F)cc1[*:1]
CCOCC(=O)NNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] CCOC[*:1] O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NNC(=O)[*:1]
CCOCC(=O)NNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] CCO[*:1] O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NNC(=O)C[*:1]
C[C@@H](C(=O)Nc1cncc2ccccc12)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)Nc1cncc2ccccc12)[*:1]
N#Cc1cc(CN2CCOC[C@@H]2C(N)=O)ccc1F NC(=O)[*:1] N#Cc1cc(ccc1F)CN1CCOC[C@H]1[*:1]
CC/C(=C/C(=O)N1CCC[C@@H](c2nc(C)no2)C1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCC(=CC(=O)N1CCC[C@H](C1)c1nc(C)no1)[*:1]
CC/C(=C/C(=O)N1CCC[C@@H](c2nc(C)no2)C1)c1cccc(Cl)c1 Cc1noc(n1)[*:1] CC/C(=C/C(=O)N1CCC[C@@H](C1)[*:1])c1cccc(Cl)c1
Cc1ncn(C[C@@H](C)[NH2+]CCN2c3ccccc3C[C@@H]2C)c1C Cc1ncn(c1C)[*:1] C[C@H]1Cc2ccccc2N1CC[NH2+][C@H](C)C[*:1]
O=C(CC[C@H]1Cc2ccccc2NC1=O)NC[C@@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CC[C@H]1Cc2ccccc2NC1=O)NC[C@@H](O)[*:1]
CC(C)c1noc(CCCNC(=O)N(C)C2CCCCC2)n1 CC(C)[*:1] CN(C(=O)NCCCc1nc(no1)[*:1])C1CCCCC1
CC(C)c1noc(CCCNC(=O)N(C)C2CCCCC2)n1 C1CCC(CC1)[*:1] CC(C)c1noc(CCCNC(=O)N(C)[*:1])n1
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCN1CCOCC1 C1CN(CCO1)CC[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1[*:1])C(=O)NC1CCCCC1
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCN1CCOCC1 C1CCC(CC1)[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1CCN1CCOCC1)C(=O)N[*:1]
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCN1CCOCC1 O=C(NC1CCCCC1)[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1CCN1CCOCC1)[*:1]
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCN1CCOCC1 C1CN(CCO1)[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1CC[*:1])C(=O)NC1CCCCC1
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1C[*:1])C(=O)NC1CCCCC1
CCc1cc(Nc2ccc(C(=O)[O-])cc2)nc(C(C)C)n1 CC(C)[*:1] CCc1cc(nc(n1)[*:1])Nc1ccc(cc1)C(=O)[O-]
CCc1cc(Nc2ccc(C(=O)[O-])cc2)nc(C(C)C)n1 O=C([O-])[*:1] CCc1cc(nc(n1)C(C)C)Nc1ccc(cc1)[*:1]
C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H]1C[NH2+]CC[C@H]1NC(=O)[*:1]
Cc1nn(C)c(C)c1/C=C/C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1nn(C)c(C)c1/C=C/C(=O)N[*:1]
Cc1nn(C)c(C)c1/C=C/C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1nn(C)c(C)c1/C=C/C(=O)NC[*:1]
CCOc1cc(NC(=O)C2CC=CC2)c([N+](=O)[O-])cc1OCC CCO[*:1] CCOc1cc(c(cc1[*:1])NC(=O)C1CC=CC1)[N+](=O)[O-]
CCOc1cc(NC(=O)C2CC=CC2)c([N+](=O)[O-])cc1OCC O=[N+]([O-])[*:1] CCOc1cc(NC(=O)C2CC=CC2)c(cc1OCC)[*:1]
CCOc1cc(NC(=O)C2CC=CC2)c([N+](=O)[O-])cc1OCC CCO[*:1] CCOc1cc(NC(=O)C2CC=CC2)c(cc1[*:1])[N+](=O)[O-]
COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@H](C)c1ccccc1C Cc1ccccc1[*:1] COc1cc(Cl)ccc1C(=O)NNC(=O)N[C@H](C)[*:1]
C[C@H]1CCC[C@H](NC(=O)NNc2cccnn2)C1 c1cnnc(c1)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)NN[*:1]
CCc1nn(C)cc1CNC(=O)c1cnn(-c2ccccn2)c1C c1ccc(nc1)[*:1] CCc1nn(C)cc1CNC(=O)c1cnn(c1C)[*:1]
CCc1nn(C)cc1CNC(=O)c1cnn(-c2ccccn2)c1C CCc1nn(C)cc1[*:1] Cc1c(cnn1-c1ccccn1)C(=O)NC[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)N1CCC[C@@H](C1)c1[nH]cc[nH+]1
Cc1cc(C)c(NC(=O)CSc2n[nH]c(N)n2)c(C)c1 Nc1nc(n[nH]1)[*:1] Cc1cc(C)c(NC(=O)CS[*:1])c(C)c1
C[C@@H]1CC(C)(C)C[C@@](CC(=O)Nc2cccc(C(F)(F)F)c2)(C(=O)[O-])C1 FC(F)(F)[*:1] C[C@@H]1CC(C)(C)C[C@](CC(=O)Nc2cccc(c2)[*:1])(C1)C(=O)[O-]
C[C@@H]1CC(C)(C)C[C@@](CC(=O)Nc2cccc(C(F)(F)F)c2)(C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1CC(C)(C)C[C@@](CC(=O)Nc2cccc(c2)C(F)(F)F)(C1)[*:1]
COc1ccc([C@H](C)CCNC(=O)N2CCC[C@@H](CCO)C2)cc1 OCC[*:1] COc1ccc(cc1)[C@H](C)CCNC(=O)N1CCC[C@@H](C1)[*:1]
COc1ccc([C@H](C)CCNC(=O)N2CCC[C@@H](CCO)C2)cc1 COc1ccc(cc1)[*:1] C[C@H](CCNC(=O)N1CCC[C@@H](CCO)C1)[*:1]
CC(=O)Nc1cccc(NCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1 CC(=O)N[*:1] Cc1c(Cl)cccc1NC(=O)CNC(=O)CNc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1 Cc1c(Cl)cccc1[*:1] CC(=O)Nc1cccc(c1)NCC(=O)NCC(=O)N[*:1]
COCCCOc1ccc(C(=O)N[C@H]2CCc3c(O)cccc32)cn1 COCC[*:1] O=C(N[C@H]1CCc2c(O)cccc21)c1ccc(nc1)OC[*:1]
COCCCOc1ccc(C(=O)N[C@H]2CCc3c(O)cccc32)cn1 COC[*:1] O=C(N[C@H]1CCc2c(O)cccc21)c1ccc(nc1)OCC[*:1]
COCCCOc1ccc(C(=O)N[C@H]2CCc3c(O)cccc32)cn1 COCCCO[*:1] O=C(N[C@H]1CCc2c(O)cccc21)c1ccc(nc1)[*:1]
COCCCOc1ccc(C(=O)N[C@H]2CCc3c(O)cccc32)cn1 COCCC[*:1] O=C(N[C@H]1CCc2c(O)cccc21)c1ccc(nc1)O[*:1]
O=C([O-])c1ccc(O)c(Br)n1 O=C([O-])[*:1] Oc1ccc(nc1Br)[*:1]
COc1cc(CN2CCN(C(=O)c3ccon3)CC2)cc(OC)c1 c1cc(no1)[*:1] COc1cc(cc(c1)OC)CN1CCN(CC1)C(=O)[*:1]
O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCOC2(CCCCCC2)C1 Clc1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N1CCOC2(CCCCCC2)C1
CC[C@@H](C)C[C@@H](C)NC(=O)C[C@H]1OC(=O)c2ccccc21 CC[C@@H](C)C[C@@H](C)[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)N[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)C[C@H]1OC(=O)c2ccccc21 CC[C@@H](C)[*:1] C[C@H](C[*:1])NC(=O)C[C@H]1OC(=O)c2ccccc21
CC[C@@H](C)C[C@@H](C)NC(=O)C[C@H]1OC(=O)c2ccccc21 CC[C@@H](C)C[*:1] C[C@@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)[*:1]
CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 Clc1ccc(c(Cl)c1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cc(on1)[*:1]
COc1ccc(F)c(N[C@@H](C[NH3+])c2cncn2C2CC2)c1 C1CC1[*:1] COc1ccc(F)c(c1)N[C@@H](C[NH3+])c1cncn1[*:1]
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)C12CCC2 CCO[*:1] CC[S@](=O)[C@H]1CCC[C@H](C1)NC(=O)N[C@@H]1C[C@H](C12CCC2)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)C12CCC2 CC[S@](=O)[*:1] CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[C@H](C2)[*:1])C12CCC2
CCCC[C@H]1CCC[C@H]1[NH2+]CC1(SC)CCOCC1 CCCC[*:1] CSC1(CCOCC1)C[NH2+][C@@H]1CCC[C@@H]1[*:1]
CCCC[C@H]1CCC[C@H]1[NH2+]CC1(SC)CCOCC1 CCC[*:1] CSC1(CCOCC1)C[NH2+][C@@H]1CCC[C@@H]1C[*:1]
Cc1nc(COc2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)cs1 Cc1nc(cs1)C[*:1] O=C(NNC(=O)c1cccc(c1)O[*:1])c1ccc(Br)cc1
Cc1nc(COc2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)cs1 Brc1ccc(cc1)[*:1] Cc1nc(cs1)COc1cccc(c1)C(=O)NNC(=O)[*:1]
Cc1nc(COc2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)cs1 Cc1nc(cs1)CO[*:1] O=C(NNC(=O)c1cccc(c1)[*:1])c1ccc(Br)cc1
Cc1nc(COc2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)cs1 Cc1nc(cs1)[*:1] O=C(NNC(=O)c1cccc(c1)OC[*:1])c1ccc(Br)cc1
Cc1ccc(-c2noc(CN3CCN(C(=O)/C=C/C4CC4)CC3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(/C=C/C1CC1)N1CCN(CC1)Cc1nc(no1)[*:1]
Cc1ccc(-c2noc(CN3CCN(C(=O)/C=C/C4CC4)CC3)n2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1noc(CN2CCN(CC2)C(=O)C=C[*:1])n1
Cc1ccc(-c2noc(CN3CCN(C(=O)/C=C/C4CC4)CC3)n2)cc1 C(=C[*:1])C1CC1 Cc1ccc(cc1)-c1noc(CN2CCN(CC2)C(=O)[*:1])n1
COCCn1nc(C)c(NC(=O)N(C)C2CCC2)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)N(C)C1CCC1)[*:1]
COCCn1nc(C)c(NC(=O)N(C)C2CCC2)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)N(C)C1CCC1
COCCn1nc(C)c(NC(=O)N(C)C2CCC2)c1C C1CC(C1)[*:1] COCCn1nc(C)c(NC(=O)N(C)[*:1])c1C
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)C(=O)NCCCCn1cc[nH+]c1C Cc1c(Cl)cccc1[*:1] Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[*:1]
COc1ccc([C@@H]2CS[C@H](NC(=O)CSc3ncn[nH]3)N2)cc1 c1n[nH]c(n1)[*:1] COc1ccc(cc1)[C@@H]1CS[C@H](NC(=O)CS[*:1])N1
COc1ccc([C@@H]2CS[C@H](NC(=O)CSc3ncn[nH]3)N2)cc1 c1n[nH]c(n1)S[*:1] COc1ccc(cc1)[C@@H]1CS[C@H](NC(=O)C[*:1])N1
COc1ccc([C@@H]2CS[C@H](NC(=O)CSc3ncn[nH]3)N2)cc1 c1n[nH]c(n1)SC[*:1] COc1ccc(cc1)[C@@H]1CS[C@H](NC(=O)[*:1])N1
CC(C)N1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2C)C1=O CC(C)[*:1] C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(C1=O)[*:1]
Cc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(F)c(F)c2)CCC[NH+](C)C1 Fc1ccc(cc1F)[*:1] Cc1ccc2c(c1)c1C[NH+](C)CCCc1n2S(=O)(=O)[*:1]
C1CCc2[nH+]c(C3CC3)[nH]c2C1 C1CC1[*:1] C1CCc2[nH+]c([nH]c2C1)[*:1]
Cc1cc(C(=O)NCCOc2ccc(Cl)cc2)cc(S(N)(=O)=O)c1C Clc1ccc(cc1)[*:1] Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)NCCO[*:1]
Cc1cc(C(=O)NCCOc2ccc(Cl)cc2)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)NCCOc1ccc(Cl)cc1
Cc1cc(C(=O)NCCOc2ccc(Cl)cc2)cc(S(N)(=O)=O)c1C Clc1ccc(cc1)O[*:1] Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)NCC[*:1]
COc1ccccc1[C@@H](NC(=O)Nc1cccc(Cl)c1)c1nccn1C COc1ccccc1[*:1] Cn1ccnc1[C@H](NC(=O)Nc1cccc(Cl)c1)[*:1]
COc1ccccc1[C@@H](NC(=O)Nc1cccc(Cl)c1)c1nccn1C Clc1cccc(c1)[*:1] COc1ccccc1[C@@H](NC(=O)N[*:1])c1nccn1C
COc1ccccc1[C@@H](NC(=O)Nc1cccc(Cl)c1)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@@H](NC(=O)Nc1cccc(Cl)c1)[*:1]
Clc1ccc(N2CCN(c3nc(-c4ccncc4)nc4c3CCC4)CC2)nc1 Clc1ccc(nc1)[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)N1CCN(CC1)[*:1]
Clc1ccc(N2CCN(c3nc(-c4ccncc4)nc4c3CCC4)CC2)nc1 c1cc(ccn1)[*:1] Clc1ccc(nc1)N1CCN(CC1)c1nc(nc2CCCc21)[*:1]
O=C(CN[C@H](c1ccccc1)c1ccc(F)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CN[C@H](c1ccccc1)c1ccc(F)cc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(CN[C@H](c1ccccc1)c1ccc(F)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CN[C@H](c1ccc(F)cc1)[*:1])N(c1ccccc1)[C@H]1CCS(=O)(=O)C1
O=C(CN[C@H](c1ccccc1)c1ccc(F)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] O=C(CN[C@H](c1ccccc1)[*:1])N(c1ccccc1)[C@H]1CCS(=O)(=O)C1
CCOC(=O)N[C@@H]1CCCN(c2nc(-c3ccccn3)nc(C)c2C)C1 CCOC(=O)N[*:1] Cc1nc(nc(c1C)N1CCC[C@H](C1)[*:1])-c1ccccn1
CCOC(=O)N[C@@H]1CCCN(c2nc(-c3ccccn3)nc(C)c2C)C1 c1ccc(nc1)[*:1] CCOC(=O)N[C@@H]1CCCN(C1)c1nc(nc(C)c1C)[*:1]
O=C(COc1ccccc1Cl)NCc1cc(=O)n2nc(-c3ccccc3)sc2n1 c1ccc(cc1)[*:1] O=C(COc1ccccc1Cl)NCc1cc(=O)n2nc(sc2n1)[*:1]
O=C(COc1ccccc1Cl)NCc1cc(=O)n2nc(-c3ccccc3)sc2n1 Clc1ccccc1OC[*:1] O=C(NCc1cc(=O)n2nc(sc2n1)-c1ccccc1)[*:1]
O=C(COc1ccccc1Cl)NCc1cc(=O)n2nc(-c3ccccc3)sc2n1 Clc1ccccc1O[*:1] O=C(C[*:1])NCc1cc(=O)n2nc(sc2n1)-c1ccccc1
O=C(COc1ccccc1Cl)NCc1cc(=O)n2nc(-c3ccccc3)sc2n1 Clc1ccccc1[*:1] O=C(CO[*:1])NCc1cc(=O)n2nc(sc2n1)-c1ccccc1
CCc1ccsc1CNC(=O)Nc1cc(S(C)(=O)=O)ccc1F CCc1ccsc1[*:1] CS(=O)(=O)c1ccc(F)c(c1)NC(=O)NC[*:1]
CCc1ccsc1CNC(=O)Nc1cc(S(C)(=O)=O)ccc1F CS(=O)(=O)[*:1] CCc1ccsc1CNC(=O)Nc1cc(ccc1F)[*:1]
O=C([O-])c1cc(-c2ccccc2)ccc1F O=C([O-])[*:1] Fc1ccc(cc1[*:1])-c1ccccc1
Cc1cccc(NC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccnc(n1)-c1ccc(F)cc1
Cc1cccc(NC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)[C@H]1CCCN(C1)c1ccnc(n1)[*:1]
CO[C@H](CNS(=O)(=O)c1cccc2cnccc12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNS(=O)(=O)c1cccc2cnccc12)[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C)CS(C)(=O)=O)n1 CS(=O)(=O)C[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)N[C@@H](C)[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C)CS(C)(=O)=O)n1 Cc1cc(F)ccc1[*:1] C[C@@H](CS(C)(=O)=O)NC(=O)c1nn(cc1[O-])[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C)CS(C)(=O)=O)n1 CS(=O)(=O)[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)N[C@@H](C)C[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C)CS(C)(=O)=O)n1 C[C@@H](CS(C)(=O)=O)[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)N[*:1]
Cc1nnc(-c2cccc(C(=O)Nc3ccc(I)cc3C)c2)o1 Cc1nnc(o1)[*:1] Cc1cc(I)ccc1NC(=O)c1cccc(c1)[*:1]
CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)CC(C)(C)O CC(C)(O)[*:1] CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)C[*:1]
CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)CC(C)(C)O CC(C)(O)C[*:1] CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)[*:1]
CC(C)[C@H](CCO)NC(=O)c1ccc(-n2ccnn2)cc1 CC(C)[*:1] O=C(N[C@@H](CCO)[*:1])c1ccc(cc1)-n1ccnn1
CC(C)[C@H](CCO)NC(=O)c1ccc(-n2ccnn2)cc1 CC(C)[C@H](CCO)[*:1] O=C(N[*:1])c1ccc(cc1)-n1ccnn1
CC(C)[C@H](CCO)NC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CC(C)[C@H](CCO)NC(=O)c1ccc(cc1)[*:1]
CC(C)[C@H](CCO)NC(=O)c1ccc(-n2ccnn2)cc1 OCC[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
Nn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1C(F)(F)F FC(F)(F)[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Nn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1C(F)(F)F O=S(=O)(N1CCCC1)[*:1] Nn1c(nnc1C(F)(F)F)SCC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1)N(CC(=O)N[*:1])S(C)(=O)=O
COc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CN(S(C)(=O)=O)[*:1]
CN1C(=O)C[C@@H](NC(=O)NNc2ccccn2)[C@@H]1c1ccc(Cl)cc1 c1ccc(nc1)[*:1] CN1C(=O)C[C@@H](NC(=O)NN[*:1])[C@@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@@H](NC(=O)NNc2ccccn2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)NNc2ccccn2)[C@H]1[*:1]
O=C(c1ccccn1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 c1ccc(nc1)[*:1] O=C([C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccccn1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 Clc1ccc(cc1)[*:1] O=C(c1ccccn1)N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=[N+]([O-])c1ccc(SC[C@@H](O)CO)cc1 O=[N+]([O-])[*:1] OC[C@H](O)CSc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(SC[C@@H](O)CO)cc1 OC[C@H](O)C[*:1] O=[N+]([O-])c1ccc(cc1)S[*:1]
O=[N+]([O-])c1ccc(SC[C@@H](O)CO)cc1 OC[C@H](O)[*:1] O=[N+]([O-])c1ccc(cc1)SC[*:1]
O=[N+]([O-])c1ccc(C[C@@H]2CCC[C@H]2O)cc1F O=[N+]([O-])[*:1] O[C@@H]1CCC[C@H]1Cc1ccc(c(F)c1)[*:1]
COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)c1sccc1S(=O)(=O)N1CCN(CC1)[*:1]
COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N[*:1])c1sccc1S(=O)(=O)N1CCN(CC1)c1ccccc1
CC(C)CCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 CC(C)CCNC(=O)[*:1] Fc1ccc(cc1)-n1ncc(c1-n1cccc1)[*:1]
CC(C)CCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 Fc1ccc(cc1)[*:1] CC(C)CCNC(=O)c1cnn(c1-n1cccc1)[*:1]
CC(C)CCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 c1ccn(c1)[*:1] CC(C)CCNC(=O)c1cnn(-c2ccc(F)cc2)c1[*:1]
CC(C)CCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 CC(C)[*:1] O=C(NCC[*:1])c1cnn(-c2ccc(F)cc2)c1-n1cccc1
CC(C)CCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 CC(C)CC[*:1] O=C(N[*:1])c1cnn(-c2ccc(F)cc2)c1-n1cccc1
CC(C)CCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 CC(C)C[*:1] O=C(NC[*:1])c1cnn(-c2ccc(F)cc2)c1-n1cccc1
COCc1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 COC[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)c1ccc(o1)[*:1]
COCc1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 COCc1ccc(o1)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)[*:1]
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)N1CCn2c1nc1ccccc12 CCOC(=O)[*:1] Cc1[nH]c(C)c(c1S(=O)(=O)NCC(=O)N1CCn2c1nc1ccccc12)[*:1]
C[NH+](Cc1ccoc1)C1(CO)CCSCC1 c1cc(co1)[*:1] C[NH+](C[*:1])C1(CO)CCSCC1
COc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccc(C)s2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(s1)S(=O)(=O)N(C[*:1])c1ccncc1
COc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccc(C)s2)cc1 Cc1ccc(s1)[*:1] COc1ccc(cc1)CN(c1ccncc1)S(=O)(=O)[*:1]
COc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccc(C)s2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)CN(S(=O)(=O)c1ccc(C)s1)[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H](c2ccc(C)cc2C)C1 CNC(=O)CO[*:1] Cc1ccc(c(C)c1)[C@H]1CN(CCO1)Cc1ccccc1[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H](c2ccc(C)cc2C)C1 CNC(=O)[*:1] Cc1ccc(c(C)c1)[C@H]1CN(CCO1)Cc1ccccc1OC[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H](c2ccc(C)cc2C)C1 Cc1ccc(c(C)c1)[*:1] CNC(=O)COc1ccccc1CN1CCO[C@@H](C1)[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H](c2ccc(C)cc2C)C1 CNC(=O)C[*:1] Cc1ccc(c(C)c1)[C@H]1CN(CCO1)Cc1ccccc1O[*:1]
O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1cc(F)cc(F)c1 c1ccc(nc1)-c1noc(n1)[*:1] O=C(Cn1c(=O)cc(c2ccccc21)[*:1])Nc1cc(F)cc(F)c1
O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1cc(F)cc(F)c1 O=C(Nc1cc(F)cc(F)c1)[*:1] O=c1cc(-c2nc(no2)-c2ccccn2)c2ccccc2n1C[*:1]
O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C(Cn1c(=O)cc(-c2nc(no2)-c2ccccn2)c2ccccc21)N[*:1]
O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1cc(F)cc(F)c1 c1ccc(nc1)[*:1] O=C(Cn1c(=O)cc(-c2nc(no2)[*:1])c2ccccc21)Nc1cc(F)cc(F)c1
CCCCC(=O)N1CCC[C@@H](c2nnc(-c3ccc(OC)cc3)s2)C1 COc1ccc(cc1)[*:1] CCCCC(=O)N1CCC[C@H](C1)c1nnc(s1)[*:1]
CCCCC(=O)N1CCC[C@@H](c2nnc(-c3ccc(OC)cc3)s2)C1 CCCC[*:1] COc1ccc(cc1)-c1nnc(s1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCCC(=O)N1CCC[C@@H](c2nnc(-c3ccc(OC)cc3)s2)C1 CCC[*:1] COc1ccc(cc1)-c1nnc(s1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cn1c(=O)c2c(nc(Cl)n2CC(=O)c2ccc(C3CCCCC3)cc2)n(C)c1=O C1CCC(CC1)[*:1] Cn1c(=O)c2c(nc(Cl)n2CC(=O)c2ccc(cc2)[*:1])n(C)c1=O
O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccncc1F Fc1cnccc1[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccncc1F O=S(=O)(NC1CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccncc1F
O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccncc1F C1CC1[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccncc1F
CCC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2)CCO1 c1ccc(cc1)[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1cnn(c1)[*:1]
CCC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2)CCO1 CCC[*:1] O=C(c1cnn(c1)-c1ccccc1)N1CCO[C@@H](C1)[*:1]
CC[NH2+][C@@H]1CCC[C@H](N(C)CCC(F)(F)F)C1 FC(F)(F)[*:1] CC[NH2+][C@@H]1CCC[C@@H](C1)N(C)CC[*:1]
CC[NH2+][C@@H]1CCC[C@H](N(C)CCC(F)(F)F)C1 FC(F)(F)C[*:1] CC[NH2+][C@@H]1CCC[C@@H](C1)N(C)C[*:1]
CCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCn2cncn2)C1 c1ncn(C[*:1])n1 CCC[C@]1(CCCN(C1)C(=O)C[*:1])C(=O)[O-]
CCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCn2cncn2)C1 c1ncn(CC[*:1])n1 CCC[C@]1(CCCN(C1)C(=O)[*:1])C(=O)[O-]
CCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCn2cncn2)C1 CCC[*:1] O=C(CCn1cncn1)N1CCC[C@@](C1)(C(=O)[O-])[*:1]
CCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCn2cncn2)C1 O=C([O-])[*:1] CCC[C@]1(CCCN(C1)C(=O)CCn1cncn1)[*:1]
CCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCn2cncn2)C1 c1ncn(n1)[*:1] CCC[C@]1(CCCN(C1)C(=O)CC[*:1])C(=O)[O-]
Nc1ccc2c(NCc3nn(-c4ccccc4)c4c3CCC4)nc[nH+]c2n1 c1ccc(cc1)[*:1] Nc1ccc2c(nc[nH+]c2n1)NCc1nn(c2CCCc12)[*:1]
CC(C)CCn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)CCn1nnnc1[C@H](C(C)C)[NH+]1CCN(CC1)[*:1]
CC(C)CCn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 CC(C)C[*:1] CC(C)[C@@H](c1nnnn1C[*:1])[NH+]1CCN(CC1)c1ccccc1
CC(C)CCn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 CC(C)[*:1] CC(C)[C@@H](c1nnnn1CC[*:1])[NH+]1CCN(CC1)c1ccccc1
CC(C)CCn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 CC(C)CC[*:1] CC(C)[C@@H](c1nnnn1[*:1])[NH+]1CCN(CC1)c1ccccc1
CC(C)CCn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 CC(C)[*:1] CC(C)CCn1nnnc1[C@H]([NH+]1CCN(CC1)c1ccccc1)[*:1]
CC(=O)N1CCC(CCC(=O)NCC(C)(C)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC(=O)N1CCC(CCC(=O)NCC(C)(C)[*:1])CC1
C[C@@]1(O)CC([O-])=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] C[C@@]1(O)CC([O-])=C([C@H](c2ccccc2C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1)[*:1]
C[C@@]1(O)CC([O-])=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(O)CC([O-])=C(C(=O)N[*:1])[C@H](c2ccccc2C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1
C[C@@]1(O)CC([O-])=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1 O=C([O-])[*:1] C[C@@]1(O)CC([O-])=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[*:1])[C@@H]1C(=O)Nc1ccccc1
C[C@@]1(O)CC([O-])=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(O)CC([O-])=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(=O)[O-])[C@@H]1C(=O)N[*:1]
C[C@@]1(O)CC([O-])=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] C[C@@]1(O)CC([O-])=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(=O)[O-])[C@H]1[*:1]
CC(C)C[C@@H](C[NH+](C)C)NCc1cc(F)cc(Br)c1 CC(C)[*:1] C[NH+](C)C[C@H](C[*:1])NCc1cc(F)cc(Br)c1
CC(C)C[C@@H](C[NH+](C)C)NCc1cc(F)cc(Br)c1 CC(C)C[*:1] C[NH+](C)C[C@@H](NCc1cc(F)cc(Br)c1)[*:1]
Cn1c(=O)c2c(ncn2CC(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)n(C)c1=O c1ccc2CN(CCc2c1)[*:1] Cn1c(=O)c2c(ncn2CC(=O)NC[C@@H](c2ccco2)[*:1])n(C)c1=O
Cn1c(=O)c2c(ncn2CC(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)n(C)c1=O c1coc(c1)[*:1] Cn1c(=O)c2c(ncn2CC(=O)NC[C@@H](N2CCc3ccccc3C2)[*:1])n(C)c1=O
Cc1ccc(-n2c([C@H]3CCCC[C@@H]3Cl)nc3ccccc3c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c2ccccc2nc([C@H]2CCCC[C@@H]2Cl)n1[*:1]
c1ccc(COc2ccnc(N3CCC[C@H](Cn4cncn4)C3)n2)cc1 c1ncn(C[*:1])n1 c1ccc(cc1)COc1ccnc(n1)N1CCC[C@H](C1)[*:1]
c1ccc(COc2ccnc(N3CCC[C@H](Cn4cncn4)C3)n2)cc1 c1ccc(cc1)C[*:1] c1cc(nc(n1)N1CCC[C@@H](C1)Cn1cncn1)O[*:1]
c1ccc(COc2ccnc(N3CCC[C@H](Cn4cncn4)C3)n2)cc1 c1ccc(cc1)CO[*:1] c1cc(nc(n1)N1CCC[C@@H](C1)Cn1cncn1)[*:1]
c1ccc(COc2ccnc(N3CCC[C@H](Cn4cncn4)C3)n2)cc1 c1ncn(n1)[*:1] c1ccc(cc1)COc1ccnc(n1)N1CCC[C@@H](C1)C[*:1]
c1ccc(COc2ccnc(N3CCC[C@H](Cn4cncn4)C3)n2)cc1 c1ccc(cc1)[*:1] c1cc(nc(n1)N1CCC[C@@H](C1)Cn1cncn1)OC[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)c(C)c1 N#Cc1cccc(c1)[*:1] Cc1ccc(c(C)c1)-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] N#Cc1cccc(c1)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)C2CCC2)CC1 C1CC(C1)[*:1] O=C(c1ccc(Cl)cc1F)N1CCN(CC1)C(=O)[*:1]
Cc1cc(NC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)ccc1Br c1ccc(cc1)[*:1] Cc1cc(ccc1Br)NC(=O)CCCN1C(=O)[C@H](Oc2cccnc21)[*:1]
Cc1cc(NC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(CCCN1C(=O)[C@@H](Oc2cccnc21)c1ccccc1)N[*:1]
C[C@@]1(C(=O)N(CC(=O)NCCc2ccccc2)C2CCCC2)CC(=O)N=C2C=CC=CN21 c1ccc(cc1)[*:1] C[C@]1(CC(=O)N=C2C=CC=CN21)C(=O)N(CC(=O)NCC[*:1])C1CCCC1
C[C@@]1(C(=O)N(CC(=O)NCCc2ccccc2)C2CCCC2)CC(=O)N=C2C=CC=CN21 C1CCC(C1)[*:1] C[C@]1(CC(=O)N=C2C=CC=CN21)C(=O)N(CC(=O)NCCc1ccccc1)[*:1]
C[C@@]1(C(=O)N(CC(=O)NCCc2ccccc2)C2CCCC2)CC(=O)N=C2C=CC=CN21 c1ccc(cc1)CC[*:1] C[C@]1(CC(=O)N=C2C=CC=CN21)C(=O)N(CC(=O)N[*:1])C1CCCC1
C[C@@]1(C(=O)N(CC(=O)NCCc2ccccc2)C2CCCC2)CC(=O)N=C2C=CC=CN21 c1ccc(cc1)C[*:1] C[C@]1(CC(=O)N=C2C=CC=CN21)C(=O)N(CC(=O)NC[*:1])C1CCCC1
COc1ccc(-c2csc(NC(=O)c3ccnc(C)n3)n2)cc1OC Cc1nccc(n1)[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)[*:1]
c1ccc(C[C@@H](NCc2ccncc2)C2CC2)cc1 c1ccc(cc1)[*:1] c1cc(ccn1)CN[C@H](C[*:1])C1CC1
c1ccc(C[C@@H](NCc2ccncc2)C2CC2)cc1 C1CC1[*:1] c1ccc(cc1)C[C@@H](NCc1ccncc1)[*:1]
c1ccc(C[C@@H](NCc2ccncc2)C2CC2)cc1 c1cc(ccn1)[*:1] c1ccc(cc1)C[C@@H](NC[*:1])C1CC1
C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2SCc2noc(C)n2)c1 Cc1nc(C[*:1])no1 C#Cc1cccc(c1)NC(=O)CN(C)C(=O)c1ccccc1S[*:1]
C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2SCc2noc(C)n2)c1 Cc1nc(no1)[*:1] C#Cc1cccc(c1)NC(=O)CN(C)C(=O)c1ccccc1SC[*:1]
C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2SCc2noc(C)n2)c1 C#Cc1cccc(c1)[*:1] Cc1nc(CSc2ccccc2C(=O)N(C)CC(=O)N[*:1])no1
C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2SCc2noc(C)n2)c1 Cc1nc(CS[*:1])no1 C#Cc1cccc(c1)NC(=O)CN(C)C(=O)c1ccccc1[*:1]
[NH3+]CC#Cc1ccc(O[C@H]2CCO[C@@]3(CCOC3)C2)cc1 [NH3+]CC#C[*:1] c1cc(ccc1O[C@H]1CCO[C@@]2(CCOC2)C1)[*:1]
CCCCN(CCO)C(=O)C1C(C)(C)C1(C)C OCC[*:1] CCCCN(C(=O)C1C(C)(C)C1(C)C)[*:1]
CCCCN(CCO)C(=O)C1C(C)(C)C1(C)C CCCC[*:1] CC1(C)C(C(=O)N(CCO)[*:1])C1(C)C
CCCCN(CCO)C(=O)C1C(C)(C)C1(C)C CCC[*:1] CC1(C)C(C(=O)N(CCO)C[*:1])C1(C)C
CCCN(CC)c1ccc(C(=O)N2CCC(O)(C(F)(F)F)CC2)cn1 CCCN(CC)[*:1] O=C(c1ccc(nc1)[*:1])N1CCC(O)(CC1)C(F)(F)F
CCCN(CC)c1ccc(C(=O)N2CCC(O)(C(F)(F)F)CC2)cn1 CCC[*:1] CCN(c1ccc(cn1)C(=O)N1CCC(O)(CC1)C(F)(F)F)[*:1]
CCCN(CC)c1ccc(C(=O)N2CCC(O)(C(F)(F)F)CC2)cn1 FC(F)(F)[*:1] CCCN(CC)c1ccc(cn1)C(=O)N1CCC(O)(CC1)[*:1]
CCO[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)CC)CC2)C12CCCCC2 CCO[*:1] CCC(=O)N1CCN(CC1)C(=O)N[C@@H]1C[C@@H](C12CCCCC2)[*:1]
Cc1nc(Br)ccc1NC(=O)NC(C)(C)c1nccs1 c1csc(n1)[*:1] Cc1nc(Br)ccc1NC(=O)NC(C)(C)[*:1]
CCNc1nccc(-c2[nH+]ccn2CC)n1 CCN[*:1] CCn1cc[nH+]c1-c1ccnc(n1)[*:1]
CC[C@@H](NC(=O)N1CCc2ccc(O)cc2C1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)N1CCc2ccc(O)cc2C1)[*:1]
CC(C)/C(=C\c1ccc2ncccc2c1)C[NH2+]C1CC1 C1CC1[*:1] CC(C)/C(=C\c1ccc2ncccc2c1)C[NH2+][*:1]
CC(C)/C(=C\c1ccc2ncccc2c1)C[NH2+]C1CC1 CC(C)[*:1] C(=C(/C[NH2+]C1CC1)[*:1])\c1ccc2ncccc2c1
CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NC(C)C)c12 CC(C)[*:1] CCN(CC)c1ncnc2c(cn(CC(=O)N[*:1])c12)-c1ccccc1
CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NC(C)C)c12 CCN(CC)[*:1] CC(C)NC(=O)Cn1cc(-c2ccccc2)c2ncnc(c21)[*:1]
CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NC(C)C)c12 c1ccc(cc1)[*:1] CCN(CC)c1ncnc2c(cn(CC(=O)NC(C)C)c12)[*:1]
CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NC(C)C)c12 CC(C)NC(=O)[*:1] CCN(CC)c1ncnc2c(cn(C[*:1])c12)-c1ccccc1
CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)NC(C)C)c12 CC(C)NC(=O)C[*:1] CCN(CC)c1ncnc2c(cn(c12)[*:1])-c1ccccc1
C[C@@H](Nc1ncnc2ccc(F)cc12)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@@H](Nc1ncnc2ccc(F)cc12)[*:1]
CC(=O)c1sc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)nc1C CC(=O)[*:1] Cc1nc(NC(=O)c2cccc(c2)N2C(=O)CCC2=O)sc1[*:1]
CC(=O)c1sc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)nc1C O=C1CCC(=O)N1[*:1] CC(=O)c1sc(nc1C)NC(=O)c1cccc(c1)[*:1]
O=C(NCCCN1CCOCC1)Nc1cccc(OC(F)F)c1 FC(F)[*:1] O=C(NCCCN1CCOCC1)Nc1cccc(c1)O[*:1]
O=C(NCCCN1CCOCC1)Nc1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(NCCCN1CCOCC1)Nc1cccc(c1)[*:1]
O=C(NCCCN1CCOCC1)Nc1cccc(OC(F)F)c1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])Nc1cccc(c1)OC(F)F
O=C(NCCCN1CCOCC1)Nc1cccc(OC(F)F)c1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])Nc1cccc(c1)OC(F)F
O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(-n2cncn2)nc1 c1ncn(n1)[*:1] O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(nc1)[*:1]
Cn1c(CCC(N)=O)nn(C[NH+]2CCc3ccccc3C2)c1=S NC(=O)[*:1] Cn1c(CC[*:1])nn(C[NH+]2CCc3ccccc3C2)c1=S
Cn1c(CCC(N)=O)nn(C[NH+]2CCc3ccccc3C2)c1=S NC(=O)CC[*:1] Cn1c(nn(C[NH+]2CCc3ccccc3C2)c1=S)[*:1]
Cn1c(CCC(N)=O)nn(C[NH+]2CCc3ccccc3C2)c1=S NC(=O)C[*:1] Cn1c(C[*:1])nn(C[NH+]2CCc3ccccc3C2)c1=S
N#C/C(=C\c1c2ccccc2c(Cl)c2ccccc12)C(N)=O NC(=O)[*:1] N#CC(=Cc1c2ccccc2c(Cl)c2ccccc12)[*:1]
N#C/C(=C\c1c2ccccc2c(Cl)c2ccccc12)C(N)=O N#CC(=C[*:1])C(N)=O Clc1c2ccccc2c(c2ccccc12)[*:1]
CC(=O)N1CCN(CCC(=O)N2CCN(Cc3ccsc3)CC2)CC1 c1cc(cs1)C[*:1] CC(=O)N1CCN(CCC(=O)N2CCN(CC2)[*:1])CC1
CC(=O)N1CCN(CCC(=O)N2CCN(Cc3ccsc3)CC2)CC1 c1cc(cs1)[*:1] CC(=O)N1CCN(CCC(=O)N2CCN(CC2)C[*:1])CC1
CC(C)(C)CCC(=O)c1c(F)cccc1F CC(C)(C)[*:1] O=C(CC[*:1])c1c(F)cccc1F
CC(C)(C)CCC(=O)c1c(F)cccc1F CC(C)(C)C[*:1] O=C(C[*:1])c1c(F)cccc1F
O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1ccc(F)c(Cl)c1 c1ncn(n1)[*:1] O=S(=O)(Nc1ccc(cc1)C[*:1])c1ccc(F)c(Cl)c1
O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1ccc(F)c(Cl)c1 c1ncn(C[*:1])n1 O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc(F)c(Cl)c1
O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=S(=O)(Nc1ccc(cc1)Cn1cncn1)[*:1]
CCCn1ccc2ccc(NC(=O)C(=O)NC[C@H]3CC=CCC3)cc21 CCC[*:1] O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ccc2ccn(c2c1)[*:1]
COCc1cc(N)nc(-c2cncc(Br)c2)n1 COC[*:1] Nc1cc(nc(n1)-c1cncc(Br)c1)[*:1]
O=C([C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@@H](c1ccccc1)C1CC1)N1CCC(CC1)OC[*:1]
O=C([C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 C1CC1[*:1] O=C([C@@H](c1ccccc1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C([C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C([C@@H](c1ccccc1)C1CC1)N1CCC(CC1)[*:1]
O=C([C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C([C@@H](c1ccccc1)C1CC1)N1CCC(CC1)O[*:1]
O=C([C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H](C1CC1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
COc1cc(OC)c(C(=O)Nc2ncccc2C)cc1OC Cc1cccnc1[*:1] COc1cc(OC)c(cc1OC)C(=O)N[*:1]
O=C1C[C@H](c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](CN1[*:1])c1nc(no1)-c1cccc(Cl)c1
O=C1C[C@H](c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc(F)cc1 Clc1cccc(c1)[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1nc(no1)[*:1]
Cc1ncsc1-c1nnc(C2CC[NH+](Cc3ccc(F)cc3)CC2)o1 Fc1ccc(cc1)[*:1] Cc1ncsc1-c1nnc(o1)C1CC[NH+](CC1)C[*:1]
Cc1ncsc1-c1nnc(C2CC[NH+](Cc3ccc(F)cc3)CC2)o1 Cc1ncsc1[*:1] Fc1ccc(cc1)C[NH+]1CCC(CC1)c1nnc(o1)[*:1]
Cc1ncsc1-c1nnc(C2CC[NH+](Cc3ccc(F)cc3)CC2)o1 Fc1ccc(cc1)C[*:1] Cc1ncsc1-c1nnc(o1)C1CC[NH+](CC1)[*:1]
COc1ncccc1C(=O)N1CCC[C@@H](c2nn(C)c(=O)n2C(C)C)C1 COc1ncccc1[*:1] CC(C)n1c(nn(C)c1=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ncccc1C(=O)N1CCC[C@@H](c2nn(C)c(=O)n2C(C)C)C1 CC(C)[*:1] COc1ncccc1C(=O)N1CCC[C@H](C1)c1nn(C)c(=O)n1[*:1]
O=c1[nH]nc(-c2cc([N-]S(=O)(=O)c3cccc(F)c3F)cc(C(F)(F)F)c2)[nH]1 FC(F)(F)[*:1] O=c1[nH]nc([nH]1)-c1cc(cc(c1)[*:1])[N-]S(=O)(=O)c1cccc(F)c1F
O=c1[nH]nc(-c2cc([N-]S(=O)(=O)c3cccc(F)c3F)cc(C(F)(F)F)c2)[nH]1 O=c1[nH]nc([nH]1)[*:1] O=S(=O)([N-]c1cc(cc(c1)[*:1])C(F)(F)F)c1cccc(F)c1F
O=c1[nH]nc(-c2cc([N-]S(=O)(=O)c3cccc(F)c3F)cc(C(F)(F)F)c2)[nH]1 Fc1cccc(c1F)[*:1] O=c1[nH]nc([nH]1)-c1cc(cc(c1)C(F)(F)F)[N-]S(=O)(=O)[*:1]
CC(C)Oc1cccnc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 CC(C)O[*:1] O=C(C[NH+]1CCCC1)N1CCN(CC1)C(=O)c1ncccc1[*:1]
CC(C)Oc1cccnc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 CC(C)[*:1] O=C(C[NH+]1CCCC1)N1CCN(CC1)C(=O)c1ncccc1O[*:1]
CC(C)Oc1ncc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1Cl CC(C)[*:1] C[C@@](O)(CNC(=O)c1cnc(O[*:1])c(Cl)c1)c1ccc(F)cc1
CC(C)Oc1ncc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1Cl CC(C)O[*:1] C[C@@](O)(CNC(=O)c1cnc(c(Cl)c1)[*:1])c1ccc(F)cc1
CC(C)Oc1ncc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1Cl Fc1ccc(cc1)[*:1] CC(C)Oc1ncc(cc1Cl)C(=O)NC[C@@](C)(O)[*:1]
COC[C@@H](C)NC(=O)Nc1ccc(OCc2ccccc2)cc1 COC[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)OCc1ccccc1)[*:1]
COC[C@@H](C)NC(=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] COC[C@@H](C)NC(=O)Nc1ccc(cc1)OC[*:1]
COC[C@@H](C)NC(=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] COC[C@@H](C)NC(=O)Nc1ccc(cc1)O[*:1]
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCSc1ccccn1 c1ccc(nc1)[*:1] N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCS[*:1]
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCSc1ccccn1 c1ccc(nc1)S[*:1] N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CC[*:1]
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCSc1ccccn1 c1ccc(nc1)SC[*:1] N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C[*:1]
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCSc1ccccn1 c1ccc(cc1)[*:1] N#C[C@@H]([C@H]1CCCN1C(=O)CCSc1ccccn1)[*:1]
COCc1ccccc1C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 COC[*:1] O=C(NC[C@H](O)c1cccc(c1)C(F)(F)F)c1ccccc1[*:1]
COCc1ccccc1C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COCc1ccccc1C(=O)NC[C@H](O)c1cccc(c1)[*:1]
CCCn1cncc1[C@@H](Cl)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=S1(=O)CC[C@@H](C1)[C@H](Cl)c1cncn1[*:1]
O=C(Nc1cccnc1)c1cc2c(s1)CCCCCC2 c1cncc(c1)[*:1] O=C(N[*:1])c1cc2CCCCCCc2s1
O[C@H](CCc1cccs1)[C@H]1CSCCO1 c1csc(c1)[*:1] O[C@H](CC[*:1])[C@H]1CSCCO1
CC[C@@H](CSC)N(C)C(=O)NCc1oc2ccccc2c1C CSC[*:1] CC[C@@H](N(C)C(=O)NCc1oc2ccccc2c1C)[*:1]
Cc1cccc([C@H](O)C[NH2+][C@@H](c2ccccn2)C2CCCC2)c1 Cc1cccc(c1)[*:1] O[C@H](C[NH2+][C@@H](c1ccccn1)C1CCCC1)[*:1]
Cc1cccc([C@H](O)C[NH2+][C@@H](c2ccccn2)C2CCCC2)c1 C1CCC(C1)[*:1] Cc1cccc(c1)[C@H](O)C[NH2+][C@@H](c1ccccn1)[*:1]
Cc1cccc([C@H](O)C[NH2+][C@@H](c2ccccn2)C2CCCC2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)[C@H](O)C[NH2+][C@@H](C1CCCC1)[*:1]
COc1ccc(-c2cc(-c3ccc(OC)cc3OC)c3c(N)ncnc3n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)-c1cc(nc2ncnc(N)c12)[*:1]
CC(C)c1nc(N2CC[C@H](C)C2)sc1C=O CC(C)[*:1] C[C@H]1CCN(C1)c1nc(c(C=O)s1)[*:1]
O=C(Nc1ccnn1-c1cccc(Cl)c1)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] O=C(Nc1ccnn1-c1cccc(Cl)c1)c1[nH]nc(c1Cl)[*:1]
O=C(Nc1ccnn1-c1cccc(Cl)c1)c1[nH]nc(C2CC2)c1Cl Clc1cccc(c1)[*:1] O=C(Nc1ccnn1[*:1])c1[nH]nc(c1Cl)C1CC1
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)C1CC=CC1 COC(=O)[*:1] C[C@H](NC(=O)c1ccc(F)cc1NC(=O)C1CC=CC1)[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)C1CC=CC1 COC(=O)[C@H](C)[*:1] O=C(N[*:1])c1ccc(F)cc1NC(=O)C1CC=CC1
COc1ccccc1-c1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)[nH]n1 COc1ccccc1[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCO[C@@H](C1)C(F)(F)F
COc1ccccc1-c1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)[nH]n1 FC(F)(F)[*:1] COc1ccccc1-c1cc([nH]n1)C(=O)N1CCO[C@H](C1)[*:1]
C[C@H](CCCO)[NH2+][C@@H]1CCCS(=O)(=O)C1 OCC[*:1] C[C@H](C[*:1])[NH2+][C@@H]1CCCS(=O)(=O)C1
C[C@H](CCCO)[NH2+][C@@H]1CCCS(=O)(=O)C1 OCCC[*:1] C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)[*:1]
CN(C)C(=O)C[NH+](C)Cc1nc2cc(Cl)ccc2n1C CN(C)C(=O)C[*:1] Cn1c(C[NH+](C)[*:1])nc2cc(Cl)ccc21
CN(C)C(=O)C[NH+](C)Cc1nc2cc(Cl)ccc2n1C CN(C)C(=O)[*:1] Cn1c(C[NH+](C)C[*:1])nc2cc(Cl)ccc21
CC#CC[C@H](N)[C@](C)(CC)[NH+]1CCCC1 CC#CC[*:1] CC[C@@](C)([C@@H](N)[*:1])[NH+]1CCCC1
CC#CC[C@H](N)[C@](C)(CC)[NH+]1CCCC1 CC#C[*:1] CC[C@@](C)([C@@H](N)C[*:1])[NH+]1CCCC1
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1Cl CC(C)(C)[*:1] Cc1cccc(NC(=O)[C@@H]2CCCN(C2)C(=O)[*:1])c1Cl
C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N[*:1]
N#CCCN(CCC(F)(F)F)Cc1cccc(Br)c1 N#CC[*:1] FC(F)(F)CCN(Cc1cccc(Br)c1)C[*:1]
N#CCCN(CCC(F)(F)F)Cc1cccc(Br)c1 FC(F)(F)CC[*:1] N#CCCN(Cc1cccc(Br)c1)[*:1]
N#CCCN(CCC(F)(F)F)Cc1cccc(Br)c1 FC(F)(F)C[*:1] N#CCCN(Cc1cccc(Br)c1)C[*:1]
N#CCCN(CCC(F)(F)F)Cc1cccc(Br)c1 N#CCC[*:1] FC(F)(F)CCN(Cc1cccc(Br)c1)[*:1]
N#CCCN(CCC(F)(F)F)Cc1cccc(Br)c1 FC(F)(F)[*:1] N#CCCN(CC[*:1])Cc1cccc(Br)c1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C([C@H](Cc1ccccc1)NC(=O)[*:1])N1CCCC1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)N1CCCC1)c1ccc(F)cc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)N1CCCC1)[*:1])c1ccc(F)cc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(F)cc1 O=C(N1CCCC1)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1ccc(F)cc1
Cc1cccc(CNC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)c1cccs1
Cc1cccc(CNC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 Cc1cccc(c1)C[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1cccs1
Cc1cccc(CNC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 c1csc(c1)[*:1] Cc1cccc(c1)CNC(=O)N1CCN(CC1)C(=O)[*:1]
COC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(CCn2cnc3cccnc32)CC1 c1cnc2c(c1)ncn2[*:1] COC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(CC1)CC[*:1]
COC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(CCn2cnc3cccnc32)CC1 COC(=O)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])N1CCN(CC1)CCn1cnc2cccnc21
COC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(CCn2cnc3cccnc32)CC1 c1cnc2c(c1)ncn2C[*:1] COC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(CC1)C[*:1]
CC(C)(C)NC(=O)NC1=CC(=O)CCC1 CC(C)(C)[*:1] O=C1C=C(CCC1)NC(=O)N[*:1]
O=C(C[C@H](O)c1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])Nc1ccc(cc1)OC[C@@H]1CCCO1
O=C(C[C@H](O)c1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] O=C(C[C@H](O)c1ccccc1)Nc1ccc(cc1)O[*:1]
O=C(C[C@H](O)c1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] O=C(C[C@H](O)c1ccccc1)Nc1ccc(cc1)OC[*:1]
O=C(C[C@H](O)c1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 O[C@H](c1ccccc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)OC[C@@H]1CCCO1
O=C(C[C@H](O)c1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)CO[*:1] O=C(C[C@H](O)c1ccccc1)Nc1ccc(cc1)[*:1]
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC(OC[C@@H]2CCCO2)CC1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
CO[C@@H](CNC(=O)N1C[C@@H](C)CC[C@H]1C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)N1C[C@@H](C)CC[C@H]1C)[*:1]
CONC(=O)Cc1csc(-c2cccc(F)c2)n1 CONC(=O)[*:1] Fc1cccc(c1)-c1nc(cs1)C[*:1]
CONC(=O)Cc1csc(-c2cccc(F)c2)n1 CONC(=O)C[*:1] Fc1cccc(c1)-c1nc(cs1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1C[C@@H]2C=C[C@H]1C2 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C[NH2+]C[C@@H]1C[C@@H]2C=C[C@H]1C2)[*:1]
CCCc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 CCC[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)c1ccc(cc1)[*:1])c1ccsc1
CCCc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 c1cc(cs1)[*:1] CCCc1ccc(cc1)C(=O)NC[C@@H](N1CC[NH+](C)CC1)[*:1]
Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NNC(=O)c2cccc(c2)S(=O)(=O)Nc2ccccc2[*:1])c(C)o1
Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NNC(=O)[*:1])c1cccc(c1)S(=O)(=O)Nc1ccccc1-c1ccccc1
Cc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C(C)(C)C)C2)on1 Cc1cc(on1)[*:1] CC(C)(C)C(=O)N1CCC[C@@H](C1)c1[nH]ncc1[*:1]
Cc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C(C)(C)C)C2)on1 CC(C)(C)[*:1] Cc1cc(on1)-c1cn[nH]c1[C@H]1CCCN(C1)C(=O)[*:1]
c1ccc(Oc2ccccc2C[N+]23CCN(CC2)CC3)cc1 c1ccc(cc1)O[*:1] c1ccc(c(c1)C[N+]12CCN(CC1)CC2)[*:1]
c1ccc(Oc2ccccc2C[N+]23CCN(CC2)CC3)cc1 c1ccc(cc1)[*:1] c1ccc(O[*:1])c(c1)C[N+]12CCN(CC1)CC2
Cc1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)o1 Cc1nnc(o1)S[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc(Cl)cc1
Cc1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)o1 Clc1ccc(cc1)[*:1] Cc1nnc(o1)SCC(=O)Nc1nc(cs1)[*:1]
Cc1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)o1 Cc1nnc(o1)[*:1] O=C(CS[*:1])Nc1nc(cs1)-c1ccc(Cl)cc1
Cc1noc([C@@H]2CCCN2C(=O)c2ccccc2Oc2ccccc2)n1 Cc1noc(n1)[*:1] O=C(c1ccccc1Oc1ccccc1)N1CCC[C@H]1[*:1]
Cc1noc([C@@H]2CCCN2C(=O)c2ccccc2Oc2ccccc2)n1 c1ccc(cc1)O[*:1] Cc1noc(n1)[C@@H]1CCCN1C(=O)c1ccccc1[*:1]
Cc1noc([C@@H]2CCCN2C(=O)c2ccccc2Oc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@@H]1CCCN1C(=O)c1ccccc1O[*:1]
COCCO[C@H](C)C(=O)N(C)[C@@H]1CCCc2nc(C)sc21 COCCO[C@H](C)[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)[*:1]
COCCO[C@H](C)C(=O)N(C)[C@@H]1CCCc2nc(C)sc21 COC[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)[C@@H](C)OC[*:1]
COCCO[C@H](C)C(=O)N(C)[C@@H]1CCCc2nc(C)sc21 COCCO[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)[C@@H](C)[*:1]
COCCO[C@H](C)C(=O)N(C)[C@@H]1CCCc2nc(C)sc21 COCC[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)[C@@H](C)O[*:1]
Cc1cnc(S[C@H]2CC[C@@]([NH2+]C(C)C)(C(=O)[O-])C2)nc1 O=C([O-])[*:1] Cc1cnc(nc1)S[C@H]1CC[C@](C1)([NH2+]C(C)C)[*:1]
Cc1cnc(S[C@H]2CC[C@@]([NH2+]C(C)C)(C(=O)[O-])C2)nc1 CC(C)[*:1] Cc1cnc(nc1)S[C@H]1CC[C@@](C1)([NH2+][*:1])C(=O)[O-]
CC(C)n1cc(Br)cc1C(=O)NCCC(=O)NC1CC1 O=C(NC1CC1)[*:1] CC(C)n1cc(Br)cc1C(=O)NCC[*:1]
CC(C)n1cc(Br)cc1C(=O)NCCC(=O)NC1CC1 C1CC1[*:1] CC(C)n1cc(Br)cc1C(=O)NCCC(=O)N[*:1]
CC(C)n1cc(Br)cc1C(=O)NCCC(=O)NC1CC1 CC(C)[*:1] O=C(CCNC(=O)c1cc(Br)cn1[*:1])NC1CC1
COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cc3ccccc3[nH]c2=O)c1 COc1cccc(c1)[*:1] O=C1c2ccccc2N[C@@H](c2cc3ccccc3[nH]c2=O)N1[*:1]
O=C1CN(C(=O)C[NH+](Cc2ccco2)Cc2ccco2)c2ccccc2N1 c1coc(c1)C[*:1] O=C1CN(C(=O)C[NH+](Cc2ccco2)[*:1])c2ccccc2N1
O=C1CN(C(=O)C[NH+](Cc2ccco2)Cc2ccco2)c2ccccc2N1 c1coc(c1)[*:1] O=C1CN(C(=O)C[NH+](Cc2ccco2)C[*:1])c2ccccc2N1
COCCCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 Fc1ccc(cc1)C[*:1] COCCCn1c(C)c(C)n2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
COCCCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 Fc1ccc(cc1)[*:1] COCCCn1c(C)c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
COCCCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 COC[*:1] Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1CC[*:1]
COCCCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 COCC[*:1] Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1C[*:1]
COCCCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 COCCC[*:1] Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1[*:1]
[NH3+]C[C@@H]1CC[C@@H](c2n[nH]c(-c3cccs3)n2)O1 c1csc(c1)[*:1] [NH3+]C[C@@H]1CC[C@H](O1)c1n[nH]c(n1)[*:1]
CC(=O)Nc1cccc([C@H](C)OC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 CC(=O)N[*:1] C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@H](C)OC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 Fc1cccc(c1F)[*:1] CC(=O)Nc1cccc(c1)[C@H](C)OC(=O)[C@@H]1C[C@H]1[*:1]
COc1ccc(-c2cc(-c3ccccc3)[nH]c(=O)n2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1cc([nH]c(=O)n1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)N[C@@H](C)CCCO OCCC[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)N[C@@H](C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)N[C@@H](C)CCCO OCC[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)N[C@@H](C)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)N[C@@H](C)CCCO c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN(C)C(=O)N[C@@H](C)CCCO)[*:1]
COC(=O)COc1nc2n(c(=O)c1Cc1ccc(Cl)cc1)CCS2 COC(=O)CO[*:1] O=c1c(Cc2ccc(Cl)cc2)c(nc2SCCn21)[*:1]
COC(=O)COc1nc2n(c(=O)c1Cc1ccc(Cl)cc1)CCS2 Clc1ccc(cc1)[*:1] COC(=O)COc1nc2SCCn2c(=O)c1C[*:1]
COC(=O)COc1nc2n(c(=O)c1Cc1ccc(Cl)cc1)CCS2 COC(=O)[*:1] O=c1c(Cc2ccc(Cl)cc2)c(nc2SCCn21)OC[*:1]
COC(=O)COc1nc2n(c(=O)c1Cc1ccc(Cl)cc1)CCS2 COC(=O)C[*:1] O=c1c(Cc2ccc(Cl)cc2)c(nc2SCCn21)O[*:1]
COC(=O)COc1nc2n(c(=O)c1Cc1ccc(Cl)cc1)CCS2 Clc1ccc(cc1)C[*:1] COC(=O)COc1nc2SCCn2c(=O)c1[*:1]
CCc1ccc(C[C@H](Cc2ccccc2)[NH2+]C)nc1 c1ccc(cc1)[*:1] CCc1ccc(C[C@H](C[*:1])[NH2+]C)nc1
C[C@@H]1CCCN(C(=O)COc2ccc(C3SCCCS3)cc2)C1 C1CSC(SC1)[*:1] C[C@@H]1CCCN(C1)C(=O)COc1ccc(cc1)[*:1]
Cc1cc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c2c(C)noc2n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N(C)Cc2cn(nc2-c2ccccc2)[*:1])c2c(C)noc2n1
Cc1cc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c2c(C)noc2n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N(C)Cc2cn(nc2[*:1])-c2ccccc2)c2c(C)noc2n1
C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1cccc(-n2cccn2)c1 c1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)C=C[*:1])c1cccc(c1)-n1cccn1
C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1cccc(c1)[*:1]
C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1cccc(-n2cccn2)c1 C(=C[*:1])c1ccccc1 C[C@H](NS(=O)(=O)[*:1])c1cccc(c1)-n1cccn1
Cc1ccccc1C(=O)NCCC(=O)N(C)Cc1cccs1 c1csc(c1)C[*:1] Cc1ccccc1C(=O)NCCC(=O)N(C)[*:1]
Cc1ccccc1C(=O)NCCC(=O)N(C)Cc1cccs1 c1csc(c1)[*:1] Cc1ccccc1C(=O)NCCC(=O)N(C)C[*:1]
Cc1ccccc1C(=O)NCCC(=O)N(C)Cc1cccs1 Cc1ccccc1[*:1] CN(Cc1cccs1)C(=O)CCNC(=O)[*:1]
C[C@H](CCN1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](CCN1CCOCC1)NC(=O)Cc1ccc(cc1)[*:1]
C[C@H](CCN1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 C1CN(CCO1)C[*:1] C[C@H](C[*:1])NC(=O)Cc1ccc(cc1)[N+](=O)[O-]
C[C@H](CCN1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 C1CN(CCO1)[*:1] C[C@H](CC[*:1])NC(=O)Cc1ccc(cc1)[N+](=O)[O-]
O=C([O-])CCCC[C@H](O)c1ccc(Cl)s1 O=C([O-])CC[*:1] O[C@@H](CC[*:1])c1ccc(Cl)s1
O=C([O-])CCCC[C@H](O)c1ccc(Cl)s1 O=C([O-])[*:1] O[C@@H](CCCC[*:1])c1ccc(Cl)s1
O=C([O-])CCCC[C@H](O)c1ccc(Cl)s1 O=C([O-])C[*:1] O[C@@H](CCC[*:1])c1ccc(Cl)s1
C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cn1 c1csc(c1)[*:1] C[C@H](NC[C@H]([NH+]1CCCC1)[*:1])c1ccc(F)cn1
C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)[*:1]
Cc1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1N1CCCS1(=O)=O O=S1(=O)CCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@H]1C[C@@H]1C
COCc1cc(NC(=O)N2CC[C@H](CC(C)C)C2)ncn1 CC(C)C[*:1] COCc1cc(ncn1)NC(=O)N1CC[C@H](C1)[*:1]
COCc1cc(NC(=O)N2CC[C@H](CC(C)C)C2)ncn1 COC[*:1] CC(C)C[C@H]1CCN(C1)C(=O)Nc1cc(ncn1)[*:1]
COCc1cc(NC(=O)N2CC[C@H](CC(C)C)C2)ncn1 CC(C)[*:1] COCc1cc(ncn1)NC(=O)N1CC[C@@H](C1)C[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(-c3nccs3)c2)o1 c1csc(n1)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(-c3nccs3)c2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(c1)-c1nccs1)[*:1]
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(O)c(C(=O)[O-])c2)o1 O=C([O-])c1cc(ccc1O)[*:1] Cc1cc(ccc1-c1ccc(/C=C/C(=O)N[*:1])o1)[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(O)c(C(=O)[O-])c2)o1 Cc1cc(ccc1[*:1])[N+](=O)[O-] O=C(/C=C/c1ccc(o1)[*:1])Nc1ccc(O)c(c1)C(=O)[O-]
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(O)c(C(=O)[O-])c2)o1 O=C([O-])[*:1] Cc1cc(ccc1-c1ccc(/C=C/C(=O)Nc2ccc(O)c(c2)[*:1])o1)[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(O)c(C(=O)[O-])c2)o1 O=[N+]([O-])[*:1] Cc1cc(ccc1-c1ccc(/C=C/C(=O)Nc2ccc(O)c(c2)C(=O)[O-])o1)[*:1]
CCOc1cccc2sc(N3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)nc12 CCO[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCN(CC1)c1nc2c(cccc2s1)[*:1]
CCOc1cccc2sc(N3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)nc12 O=c1oc2ccccc2n1[*:1] CCOc1cccc2sc(nc12)N1CCN(CC1)C(=O)C[*:1]
CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(C)o1)c1cccs1 CC(=O)N[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)C[C@H](c1cccs1)[*:1]
CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(C)o1)c1cccs1 Cc1ccc(o1)[*:1] CC(=O)N[C@H](CC(=O)N[C@H](C)[*:1])c1cccs1
CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(C)o1)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(C)o1)[*:1]
CC[C@H](C)N(C)C(=O)COc1ccc(C(C)=O)cc1OC CC[C@H](C)[*:1] COc1cc(ccc1OCC(=O)N(C)[*:1])C(C)=O
CC[C@H](C)N(C)C(=O)COc1ccc(C(C)=O)cc1OC CC(=O)[*:1] CC[C@H](C)N(C)C(=O)COc1ccc(cc1OC)[*:1]
CC(C)Sc1ncnc2c1sc1[nH+]c(N3CCOCC3)c3c(c12)CCCC3 CC(C)[*:1] c1nc(S[*:1])c2sc3[nH+]c(c4CCCCc4c3c2n1)N1CCOCC1
CC(C)Sc1ncnc2c1sc1[nH+]c(N3CCOCC3)c3c(c12)CCCC3 CC(C)S[*:1] c1nc(c2sc3[nH+]c(c4CCCCc4c3c2n1)N1CCOCC1)[*:1]
CC(C)Sc1ncnc2c1sc1[nH+]c(N3CCOCC3)c3c(c12)CCCC3 C1CN(CCO1)[*:1] CC(C)Sc1ncnc2c1sc1[nH+]c(c3CCCCc3c12)[*:1]
Cn1ncnc1CCNCc1ccc(Cl)c(F)c1 Cn1ncnc1[*:1] Fc1cc(ccc1Cl)CNCC[*:1]
C[C@H](NC(=O)C[C@@H]1CCCCO1)c1cccc(N)c1 C1CC[C@H](OC1)[*:1] C[C@H](NC(=O)C[*:1])c1cccc(N)c1
Cc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)c(C)c1 Cn1nccc1[*:1] Cc1ccc(C[NH+]2CCC(CC2)[*:1])c(C)c1
CN(Cc1nc2c(s1)CCCC2)C(=O)NCCCCn1cnnc1 c1nncn1CCC[*:1] CN(Cc1nc2CCCCc2s1)C(=O)NC[*:1]
CN(Cc1nc2c(s1)CCCC2)C(=O)NCCCCn1cnnc1 c1nncn1C[*:1] CN(Cc1nc2CCCCc2s1)C(=O)NCCC[*:1]
CN(Cc1nc2c(s1)CCCC2)C(=O)NCCCCn1cnnc1 c1nncn1[*:1] CN(Cc1nc2CCCCc2s1)C(=O)NCCCC[*:1]
CN(Cc1nc2c(s1)CCCC2)C(=O)NCCCCn1cnnc1 c1nncn1CC[*:1] CN(Cc1nc2CCCCc2s1)C(=O)NCC[*:1]
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1F CNC(=O)[*:1] O=S(=O)(c1cc(Br)ccc1F)N1CCC[C@H]1[*:1]
Cc1nnc(SCSc2nnnn2-c2ccccc2)s1 Cc1nnc(s1)[*:1] c1ccc(cc1)-n1nnnc1SCS[*:1]
Cc1nnc(SCSc2nnnn2-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nnc(SCSc2nnnn2[*:1])s1
CC(C)C[C@H](C)N(C)C(=O)CN1C[C@H](C)OCC1(C)C CC(C)C[C@H](C)[*:1] C[C@H]1CN(CC(=O)N(C)[*:1])C(C)(C)CO1
CC(C)C[C@H](C)N(C)C(=O)CN1C[C@H](C)OCC1(C)C CC(C)[*:1] C[C@H]1CN(CC(=O)N(C)[C@@H](C)C[*:1])C(C)(C)CO1
CC(C)C[C@H](C)N(C)C(=O)CN1C[C@H](C)OCC1(C)C CC(C)C[*:1] C[C@H]1CN(CC(=O)N(C)[C@@H](C)[*:1])C(C)(C)CO1
CC1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 CC1CCC(CC1)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)C(=O)N1CCCC1
Cn1c(=O)c2c(nc(Nc3cccc(Cl)c3Cl)n2CC(=O)[O-])n(C)c1=O O=C([O-])[*:1] Cn1c(=O)c2c(nc(Nc3cccc(Cl)c3Cl)n2C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(Nc3cccc(Cl)c3Cl)n2CC(=O)[O-])n(C)c1=O Clc1cccc(c1Cl)[*:1] Cn1c(=O)c2c(nc(N[*:1])n2CC(=O)[O-])n(C)c1=O
Cn1c(=O)c2c(nc(Nc3cccc(Cl)c3Cl)n2CC(=O)[O-])n(C)c1=O O=C([O-])C[*:1] Cn1c(=O)c2c(nc(Nc3cccc(Cl)c3Cl)n2[*:1])n(C)c1=O
Cc1cccnc1NC(=O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1cccnc1NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)Cn2nc(N3CCC[C@@H](C)C3)c3ccccc3c2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)c1nn(CC(=O)N[*:1])c(=O)c2ccccc12
CC(C)n1c(=O)oc2cc(S(=O)(=O)NC[C@@H]3C[C@H]4CC[C@@H]3C4)ccc21 CC(C)[*:1] O=c1oc2cc(ccc2n1[*:1])S(=O)(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2
C[NH+](C)[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)[O-] O=C([O-])[*:1] C[NH+](C)[C@H](CC(=O)Nc1cccc(Cl)c1)[*:1]
C[C@H](Nc1cncc(C(=O)[O-])n1)C(N)=O NC(=O)[*:1] C[C@H](Nc1cncc(n1)C(=O)[O-])[*:1]
C[C@H](Nc1cncc(C(=O)[O-])n1)C(N)=O C[C@H](C(N)=O)[*:1] O=C([O-])c1cncc(n1)N[*:1]
C[C@H](Nc1cncc(C(=O)[O-])n1)C(N)=O O=C([O-])[*:1] C[C@H](Nc1cncc(n1)[*:1])C(N)=O
CC/[NH+]=C(\NCc1ccc(C)c(F)c1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC/[NH+]=C(\NCc1ccc(C)c(F)c1)NC[*:1]
CC/[NH+]=C(\NCc1ccc(C)c(F)c1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC/[NH+]=C(\NCc1ccc(C)c(F)c1)N[*:1]
CC(=O)Nc1nc([C@H]2CCCN2c2cc(C)ncn2)cs1 CC(=O)N[*:1] Cc1cc(ncn1)N1CCC[C@@H]1c1csc(n1)[*:1]
CC(=O)Nc1nc([C@H]2CCCN2c2cc(C)ncn2)cs1 Cc1cc(ncn1)[*:1] CC(=O)Nc1nc(cs1)[C@H]1CCCN1[*:1]
CC[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(OC)c(OC)c1 Cn1cc(cn1)[*:1] CC[C@@H](N[C@@H]1CCN(C1=O)[*:1])c1ccc(OC)c(c1)OC
O=c1[nH]nc([S@@](=O)Cc2cccc(F)c2)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=c1[nH]nc(n1C[*:1])[S@@](=O)Cc1cccc(F)c1
O=c1[nH]nc([S@@](=O)Cc2cccc(F)c2)n1C[C@@H]1CCCO1 Fc1cccc(c1)[*:1] O=c1[nH]nc(n1C[C@@H]1CCCO1)[S@@](=O)C[*:1]
O=c1[nH]nc([S@@](=O)Cc2cccc(F)c2)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=c1[nH]nc(n1[*:1])[S@@](=O)Cc1cccc(F)c1
CC1(C)C[C@@H](NC(=O)CNC(=O)CI)C(C)(C)N1O O=C(CI)NC[*:1] CC1(C)C[C@@H](NC(=O)[*:1])C(C)(C)N1O
CC1(C)C[C@@H](NC(=O)CNC(=O)CI)C(C)(C)N1O O=C(CI)N[*:1] CC1(C)C[C@@H](NC(=O)C[*:1])C(C)(C)N1O
C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)[*:1]
C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(F)cn1 FC(F)(F)C[*:1] C[C@H]([NH2+]Cc1ccccc1O[*:1])c1ccc(F)cn1
C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(F)cn1 FC(F)(F)[*:1] C[C@H]([NH2+]Cc1ccccc1OC[*:1])c1ccc(F)cn1
C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(F)cn1 FC(F)(F)CO[*:1] C[C@H]([NH2+]Cc1ccccc1[*:1])c1ccc(F)cn1
CCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)c2ccccc21 Brc1ccc(cc1)[*:1] CCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2[*:1])c2ccccc21
O=C(CNc1ccccc1Cl)Nc1ccc(N2CCCC2)cn1 C1CCN(C1)[*:1] O=C(CNc1ccccc1Cl)Nc1ccc(cn1)[*:1]
O=C(CNc1ccccc1Cl)Nc1ccc(N2CCCC2)cn1 Clc1ccccc1[*:1] O=C(CN[*:1])Nc1ccc(cn1)N1CCCC1
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OCCCC(N)=O)c12 NC(=O)CCC[*:1] Cc1noc2nc(cc(C(=O)O[*:1])c12)-c1ccc(F)cc1
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OCCCC(N)=O)c12 NC(=O)CC[*:1] Cc1noc2nc(cc(C(=O)OC[*:1])c12)-c1ccc(F)cc1
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OCCCC(N)=O)c12 Fc1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)OCCCC(N)=O)c12)[*:1]
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OCCCC(N)=O)c12 NC(=O)C[*:1] Cc1noc2nc(cc(C(=O)OCC[*:1])c12)-c1ccc(F)cc1
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OCCCC(N)=O)c12 NC(=O)[*:1] Cc1noc2nc(cc(C(=O)OCCC[*:1])c12)-c1ccc(F)cc1
Cc1cc(C)n(-c2cncc(N[C@@H](CO)c3ccc(Cl)c(F)c3)n2)n1 Fc1cc(ccc1Cl)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)N[C@@H](CO)[*:1]
Cc1cc(C)n(-c2cncc(N[C@@H](CO)c3ccc(Cl)c(F)c3)n2)n1 Cc1cc(C)n(n1)[*:1] OC[C@H](Nc1cncc(n1)[*:1])c1ccc(Cl)c(F)c1
CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2F)C1 Fc1ccccc1[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)c1c[nH]nc1[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2F)C1 CCNS(=O)(=O)[*:1] O=C(c1c[nH]nc1-c1ccccc1F)N1CC[C@H](C1)[*:1]
C[C@H]1CCCN(c2cc(C3CC3)nc(N)n2)C1 C1CC1[*:1] C[C@H]1CCCN(C1)c1cc(nc(N)n1)[*:1]
[NH3+][C@@H]1CCC[C@@H](n2ccnc2-c2cccs2)C1 c1csc(c1)[*:1] [NH3+][C@@H]1CCC[C@H](C1)n1ccnc1[*:1]
CC(C)c1cc(C(=O)NCc2cccnc2OC2CCCC2)nn1C C1CCC(C1)O[*:1] CC(C)c1cc(nn1C)C(=O)NCc1cccnc1[*:1]
CC(C)c1cc(C(=O)NCc2cccnc2OC2CCCC2)nn1C C1CCC(C1)[*:1] CC(C)c1cc(nn1C)C(=O)NCc1cccnc1O[*:1]
CC(C)c1cc(C(=O)NCc2cccnc2OC2CCCC2)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)NCc1cccnc1OC1CCCC1
Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1/N=C/c1c[nH]c2ccccc12 c1csc(c1)[*:1] Nc1c(c2nc3ccccc3nc2n1/N=C/c1c[nH]c2ccccc12)S(=O)(=O)[*:1]
Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1/N=C/c1c[nH]c2ccccc12 O=S(=O)(c1cccs1)[*:1] Nc1c(c2nc3ccccc3nc2n1/N=C/c1c[nH]c2ccccc12)[*:1]
Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1/N=C/c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Nc1c(c2nc3ccccc3nc2n1N=C[*:1])S(=O)(=O)c1cccs1
CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1 CN(C)S(=O)(=O)[*:1] O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1 c1ccc2c(c[nH]c2c1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)CN1C(=O)N[C@H](C[*:1])C1=O
CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1 c1ccc2c(c[nH]c2c1)C[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)CN1C(=O)N[C@H](C1=O)[*:1]
O=C([O-])CCCCc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C([O-])CCCCc1nc(no1)[*:1]
O=C([O-])CCCCc1nc(-c2ccccc2)no1 O=C([O-])[*:1] c1ccc(cc1)-c1noc(CCCC[*:1])n1
O=C([O-])CCCCc1nc(-c2ccccc2)no1 O=C([O-])CCC[*:1] c1ccc(cc1)-c1noc(C[*:1])n1
O=C([O-])CCCCc1nc(-c2ccccc2)no1 O=C([O-])CC[*:1] c1ccc(cc1)-c1noc(CC[*:1])n1
O=C([O-])CCCCc1nc(-c2ccccc2)no1 O=C([O-])C[*:1] c1ccc(cc1)-c1noc(CCC[*:1])n1
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(C(C)C)[nH]n1 COC(=O)[*:1] CC(C)c1cc(n[nH]1)C(=O)N1Cc2ccccc2C[C@H]1[*:1]
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(C(C)C)[nH]n1 CC(C)c1cc(n[nH]1)[*:1] COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(C(C)C)[nH]n1 CC(C)[*:1] COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc([nH]n1)[*:1]
CC(=O)N1CCC(CCC(=O)Nc2ccnn2Cc2ccsc2)CC1 c1cc(cs1)C[*:1] CC(=O)N1CCC(CCC(=O)Nc2ccnn2[*:1])CC1
CC(=O)N1CCC(CCC(=O)Nc2ccnn2Cc2ccsc2)CC1 c1cc(cs1)[*:1] CC(=O)N1CCC(CCC(=O)Nc2ccnn2C[*:1])CC1
CN(Cc1cc(=O)c(O)co1)Cc1nnc(C2CC2)n1C C1CC1[*:1] CN(Cc1cc(=O)c(O)co1)Cc1nnc(n1C)[*:1]
CCOc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 c1cc2CCCc2cc1[*:1] CCOc1ccc(cc1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CCOc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 CCOc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc2CCCc2c1
CCOc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 CCO[*:1] C[C@@]1(NC(=O)N(CC(=O)c2ccc(cc2)[*:1])C1=O)c1ccc2CCCc2c1
CO/N=C/c1ccc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1 C[S@](=O)[*:1] CO/N=C/c1ccc(cc1)C(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
CO/N=C/c1ccc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1 CON=C[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)c1ccc(cc1)[*:1]
Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 c1ccc(cc1)[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c3ccccc3Cl)c2c(=O)n1C[*:1]
Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 Clc1ccccc1[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c2c(=O)n1Cc1ccccc1)[*:1]
Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 c1ccc(cc1)C[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c3ccccc3Cl)c2c(=O)n1[*:1]
Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)[C@H](C)Sc1nc(n[nH]1)[*:1]
N#Cc1cc(C(F)(F)F)ccc1Oc1cc(F)ccc1N FC(F)(F)[*:1] N#Cc1cc(ccc1Oc1cc(F)ccc1N)[*:1]
CCC(C)(C)c1ccc(O[C@H](F)C(=O)[O-])cc1 O=C([O-])[*:1] CCC(C)(C)c1ccc(cc1)O[C@H](F)[*:1]
CCC(C)(C)c1ccc(O[C@H](F)C(=O)[O-])cc1 CCC(C)(C)[*:1] O=C([O-])[C@@H](F)Oc1ccc(cc1)[*:1]
CC(C)(C)c1cnc(CN2CCN(c3ccc(C#N)cn3)CC2)o1 CC(C)(C)[*:1] N#Cc1ccc(nc1)N1CCN(CC1)Cc1ncc(o1)[*:1]
CC(C)(C)c1cnc(CN2CCN(c3ccc(C#N)cn3)CC2)o1 N#Cc1ccc(nc1)[*:1] CC(C)(C)c1cnc(CN2CCN(CC2)[*:1])o1
C[C@@](N)(C(=O)OCc1ccc(Cl)cc1)C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(C(=O)OCc1ccc(Cl)cc1)[*:1]
CCCNc1ncnc(Nc2cccc3ccc(C)nc23)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCNc1ncnc(Nc2cccc3ccc(C)nc23)c1[*:1]
CCCNc1ncnc(Nc2cccc3ccc(C)nc23)c1[N+](=O)[O-] CCC[*:1] Cc1ccc2cccc(Nc3ncnc(N[*:1])c3[N+](=O)[O-])c2n1
CCCNc1ncnc(Nc2cccc3ccc(C)nc23)c1[N+](=O)[O-] CCCN[*:1] Cc1ccc2cccc(Nc3ncnc(c3[N+](=O)[O-])[*:1])c2n1
Cc1ccc(O[C@@H](C)C(=O)NNC(=S)Nc2cc(C)ccc2F)cc1 Cc1ccc(cc1)O[*:1] Cc1ccc(F)c(c1)NC(=S)NNC(=O)[C@H](C)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NNC(=S)Nc2cc(C)ccc2F)cc1 Cc1ccc(F)c(c1)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)NNC(=S)N[*:1]
Cc1ccc(O[C@@H](C)C(=O)NNC(=S)Nc2cc(C)ccc2F)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(F)c(c1)NC(=S)NNC(=O)[C@H](C)O[*:1]
Cc1c(-c2nn3c(CC(C)C)nnc3s2)cnn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1c(cnn1[*:1])-c1nn2c(CC(C)C)nnc2s1
Cc1c(-c2nn3c(CC(C)C)nnc3s2)cnn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1C[*:1])-c1nn2c(CC(C)C)nnc2s1
Cc1c(-c2nn3c(CC(C)C)nnc3s2)cnn1Cc1ccccc1 CC(C)C[*:1] Cc1c(cnn1Cc1ccccc1)-c1nn2c(nnc2s1)[*:1]
Cc1c(-c2nn3c(CC(C)C)nnc3s2)cnn1Cc1ccccc1 CC(C)[*:1] Cc1c(cnn1Cc1ccccc1)-c1nn2c(C[*:1])nnc2s1
CCCc1ccc(Nc2ccc(C(=O)[O-])cn2)cc1 O=C([O-])[*:1] CCCc1ccc(cc1)Nc1ccc(cn1)[*:1]
CCCc1ccc(Nc2ccc(C(=O)[O-])cn2)cc1 CCC[*:1] O=C([O-])c1ccc(nc1)Nc1ccc(cc1)[*:1]
CCCSC1=NC(=O)[C@@H]2C(=N1)N=C(C)/C(=C(\[O-])OCC)[C@@H]2c1ccc(C(C)C)cc1 CC(C)[*:1] CCCSC1=NC(=O)[C@@H]2C(N=C(C)/C(=C(\[O-])OCC)[C@@H]2c2ccc(cc2)[*:1])=N1
CCCSC1=NC(=O)[C@@H]2C(=N1)N=C(C)/C(=C(\[O-])OCC)[C@@H]2c1ccc(C(C)C)cc1 CCO[*:1] CCCSC1=NC(=O)[C@@H]2C(N=C(C)C(=C([O-])[*:1])[C@@H]2c2ccc(cc2)C(C)C)=N1
CCCSC1=NC(=O)[C@@H]2C(=N1)N=C(C)/C(=C(\[O-])OCC)[C@@H]2c1ccc(C(C)C)cc1 CC(C)c1ccc(cc1)[*:1] CCCSC1=NC(=O)[C@@H]2C(N=C(C)/C(=C(\[O-])OCC)[C@H]2[*:1])=N1
CCCSC1=NC(=O)[C@@H]2C(=N1)N=C(C)/C(=C(\[O-])OCC)[C@@H]2c1ccc(C(C)C)cc1 CCC[*:1] CCO/C([O-])=C1/C(C)=NC2=NC(=NC(=O)[C@H]2[C@H]1c1ccc(cc1)C(C)C)S[*:1]
CC/[NH+]=C(/NCC1CC1)N[C@H]1C[C@@H]1c1ccccc1F C1CC1[*:1] CC/[NH+]=C(/NC[*:1])N[C@H]1C[C@@H]1c1ccccc1F
CC/[NH+]=C(/NCC1CC1)N[C@H]1C[C@@H]1c1ccccc1F C1CC1C[*:1] CC/[NH+]=C(\N[C@H]1C[C@@H]1c1ccccc1F)N[*:1]
CCCCN(C)C(=O)N[C@@H](c1ccccn1)c1ccccc1OC c1ccc(nc1)[*:1] CCCCN(C)C(=O)N[C@@H](c1ccccc1OC)[*:1]
CCCCN(C)C(=O)N[C@@H](c1ccccn1)c1ccccc1OC CCC[*:1] COc1ccccc1[C@@H](NC(=O)N(C)C[*:1])c1ccccn1
CCCCN(C)C(=O)N[C@@H](c1ccccn1)c1ccccc1OC COc1ccccc1[*:1] CCCCN(C)C(=O)N[C@@H](c1ccccn1)[*:1]
CCCCN(C)C(=O)N[C@@H](c1ccccn1)c1ccccc1OC CCCC[*:1] COc1ccccc1[C@@H](NC(=O)N(C)[*:1])c1ccccn1
Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(OCCN3CCOCC3)ccc12 C1CN(CCO1)CC[*:1] Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(ccc12)O[*:1]
Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(OCCN3CCOCC3)ccc12 C1CN(CCO1)C[*:1] Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(ccc12)OC[*:1]
Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(OCCN3CCOCC3)ccc12 C1CN(CCO1)CCO[*:1] Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(ccc12)[*:1]
Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(OCCN3CCOCC3)ccc12 Clc1ccc(cc1)[*:1] Cc1c(c(=O)oc2cc(ccc12)OCCN1CCOCC1)[*:1]
Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(OCCN3CCOCC3)ccc12 C1CN(CCO1)[*:1] Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(ccc12)OCC[*:1]
CC1=CC(C)(C)N(C(=O)C[NH2+]CCc2ccccc2)c2cc(C)ccc21 c1ccc(cc1)C[*:1] CC1=CC(C)(C)N(C(=O)C[NH2+]C[*:1])c2cc(C)ccc21
CC1=CC(C)(C)N(C(=O)C[NH2+]CCc2ccccc2)c2cc(C)ccc21 c1ccc(cc1)[*:1] CC1=CC(C)(C)N(C(=O)C[NH2+]CC[*:1])c2cc(C)ccc21
CC1=CC(C)(C)N(C(=O)C[NH2+]CCc2ccccc2)c2cc(C)ccc21 c1ccc(cc1)CC[*:1] CC1=CC(C)(C)N(C(=O)C[NH2+][*:1])c2cc(C)ccc21
COc1ccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)c(C)c1 Brc1ccc(cc1)C[*:1] COc1ccc(C(=O)OCC(=O)N[*:1])c(C)c1
COc1ccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)c(C)c1 Brc1ccc(cc1)[*:1] COc1ccc(C(=O)OCC(=O)NC[*:1])c(C)c1
Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)NC(N)=O)CC2)o1 NC(=O)NC(=O)C[*:1] Cc1ccc(o1)C(=O)NC1CC[NH+](CC1)C[*:1]
Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)NC(N)=O)CC2)o1 Cc1ccc(o1)[*:1] NC(=O)NC(=O)CC[NH+]1CCC(CC1)NC(=O)[*:1]
Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)NC(N)=O)CC2)o1 NC(=O)NC(=O)[*:1] Cc1ccc(o1)C(=O)NC1CC[NH+](CC1)CC[*:1]
CC(C)[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1nnc2ccccn12 CC(C)[*:1] O=C(N[C@@H]1CC(=O)N(C1)C1CC1)N[C@@H](c1nnc2ccccn12)[*:1]
CC(C)[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1nnc2ccccn12 C1CC1[*:1] CC(C)[C@@H](NC(=O)N[C@@H]1CC(=O)N(C1)[*:1])c1nnc2ccccn12
Cc1cc(C(=O)N2CCOC[C@H](Oc3cnccn3)C2)no1 Cc1cc(no1)[*:1] O=C(N1CCOC[C@@H](C1)Oc1cnccn1)[*:1]
Cc1cc(C(=O)N2CCOC[C@H](Oc3cnccn3)C2)no1 c1cnc(cn1)O[*:1] Cc1cc(no1)C(=O)N1CCOC[C@H](C1)[*:1]
Cc1cc(C(=O)N2CCOC[C@H](Oc3cnccn3)C2)no1 c1cnc(cn1)[*:1] Cc1cc(no1)C(=O)N1CCOC[C@@H](C1)O[*:1]
Cc1cc(C)n(C[C@H]2CN(Cc3cccc4c3OCCO4)CCO2)n1 Cc1cc(C)n(n1)[*:1] c1cc(CN2CCO[C@H](C2)C[*:1])c2OCCOc2c1
Cc1cc(C)n(C[C@H]2CN(Cc3cccc4c3OCCO4)CCO2)n1 Cc1cc(C)n(C[*:1])n1 c1cc(CN2CCO[C@H](C2)[*:1])c2OCCOc2c1
O=C([O-])c1cc(S[C@H]2CCO[C@@]3(CCOC3)C2)cs1 O=C([O-])[*:1] c1sc(cc1S[C@H]1CCO[C@@]2(CCOC2)C1)[*:1]
CCCN1C(=O)C2(CCCCC2)NC12CCN(C(=O)CC(C)(C)C)CC2 CC(C)(C)[*:1] CCCN1C(=O)C2(CCCCC2)NC12CCN(CC2)C(=O)C[*:1]
CCCN1C(=O)C2(CCCCC2)NC12CCN(C(=O)CC(C)(C)C)CC2 CCC[*:1] CC(C)(C)CC(=O)N1CCC2(CC1)NC1(CCCCC1)C(=O)N2[*:1]
CCCN1C(=O)C2(CCCCC2)NC12CCN(C(=O)CC(C)(C)C)CC2 CC(C)(C)C[*:1] CCCN1C(=O)C2(CCCCC2)NC12CCN(CC2)C(=O)[*:1]
CCCc1nnc(N[C@@H](CO)c2ccc(F)cc2)o1 CCC[*:1] OC[C@H](Nc1nnc(o1)[*:1])c1ccc(F)cc1
CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1n[nH]c(=S)n1C(C)C CC(C)[*:1] CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1n[nH]c(=S)n1[*:1]
CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1n[nH]c(=S)n1C(C)C CCC[*:1] CC(C)n1c(CNC(=O)[C@H]2CCCCN2C(=O)[*:1])n[nH]c1=S
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1ccc2ccc(Cl)cc21 C1CN(CCO1)[*:1] Cc1nc(sc1C(=O)NNC(=O)Cn1ccc2ccc(Cl)cc21)[*:1]
CCOc1cccc(C(=O)Cc2[nH+]ccn2C)c1 CCO[*:1] Cn1cc[nH+]c1CC(=O)c1cccc(c1)[*:1]
C[C@@H](Sc1nnc(CC(=O)Nc2ccccc2F)n1C)C(=O)Nc1cccnc1 c1cncc(c1)[*:1] C[C@@H](Sc1nnc(CC(=O)Nc2ccccc2F)n1C)C(=O)N[*:1]
C[C@@H](Sc1nnc(CC(=O)Nc2ccccc2F)n1C)C(=O)Nc1cccnc1 O=C(Nc1cccnc1)[*:1] C[C@@H](Sc1nnc(CC(=O)Nc2ccccc2F)n1C)[*:1]
C[C@@H](Sc1nnc(CC(=O)Nc2ccccc2F)n1C)C(=O)Nc1cccnc1 Fc1ccccc1[*:1] C[C@@H](Sc1nnc(CC(=O)N[*:1])n1C)C(=O)Nc1cccnc1
Cc1ccc([C@@H](C)[NH2+]CCCc2nc[nH]n2)cc1F c1nc(n[nH]1)[*:1] Cc1ccc(cc1F)[C@@H](C)[NH2+]CCC[*:1]
Cc1ccc([C@@H](C)[NH2+]CCCc2nc[nH]n2)cc1F c1nc(C[*:1])n[nH]1 Cc1ccc(cc1F)[C@@H](C)[NH2+]CC[*:1]
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCc1ccon1 c1cc(no1)[*:1] CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC[*:1]
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCc1ccon1 c1cc(C[*:1])no1 CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[*:1]
C/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(c1)[*:1]
CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)CCc1cccn1C Cn1cccc1[*:1] CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)CC[*:1]
CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)CCc1cccn1C C1CO[C@H](C1)C[*:1] CCN(C(=O)N[C@H](C)CCc1cccn1C)[*:1]
CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)CCc1cccn1C Cn1cccc1C[*:1] CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)C[*:1]
CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)CCc1cccn1C C1CO[C@H](C1)[*:1] CCN(C[*:1])C(=O)N[C@H](C)CCc1cccn1C
Cn1c(=O)c2c(ncn2CC(=O)NCc2ccc(Cl)nc2)n(C)c1=O Clc1ccc(cn1)C[*:1] Cn1c(=O)c2c(ncn2CC(=O)N[*:1])n(C)c1=O
Cn1c(=O)c2c(ncn2CC(=O)NCc2ccc(Cl)nc2)n(C)c1=O Clc1ccc(cn1)[*:1] Cn1c(=O)c2c(ncn2CC(=O)NC[*:1])n(C)c1=O
COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)c1 c1coc(c1)[*:1] COc1ccc(OC)c(c1)C1=NO[C@@]2(C(=O)Nc3ccccc32)[C@H]1C(=O)[*:1]
COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)c1 COc1ccc(OC)c(c1)[*:1] O=C(c1ccco1)[C@H]1C(=NO[C@@]12C(=O)Nc1ccccc12)[*:1]
COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)c1 O=C(c1ccco1)[*:1] COc1ccc(OC)c(c1)C1=NO[C@@]2(C(=O)Nc3ccccc32)[C@@H]1[*:1]
C#CC[NH+](Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F)C1CCCCC1 C1CCC(CC1)[*:1] C#CC[NH+](Cc1cnc(n1Cc1ccccc1F)S(C)(=O)=O)[*:1]
C#CC[NH+](Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F)C1CCCCC1 CS(=O)(=O)[*:1] C#CC[NH+](Cc1cnc(n1Cc1ccccc1F)[*:1])C1CCCCC1
C#CC[NH+](Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F)C1CCCCC1 Fc1ccccc1[*:1] C#CC[NH+](Cc1cnc(n1C[*:1])S(C)(=O)=O)C1CCCCC1
C#CC[NH+](Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F)C1CCCCC1 Fc1ccccc1C[*:1] C#CC[NH+](Cc1cnc(n1[*:1])S(C)(=O)=O)C1CCCCC1
N#C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2N)CCO1 FC(F)(F)[*:1] N#C[C@@H]1CN(CCO1)C(=O)c1cccc(c1N)[*:1]
CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1CCC[C@@H]1O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1CCC[C@@H]1O)[*:1]
CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1CCC[C@@H]1O)c1ccccc1 CC(C)[*:1] O=C(C[*:1])N[C@@H](C(=O)NC[C@@H]1CCC[C@@H]1O)c1ccccc1
CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1CCC[C@@H]1O)c1ccccc1 CC(C)CC(=O)N[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H](c1ccccc1)[*:1]
CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1CCC[C@@H]1O)c1ccccc1 CC(C)C[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)[C@H](NC(=O)[*:1])c1ccccc1
C[C@H](NC(=O)c1cccs1)C(=O)O[C@@H](C)c1cc(F)ccc1F c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)O[C@@H](C)c1cc(F)ccc1F
Cc1cc(F)cc(Nc2ccc(C(N)=O)cc2N)c1 NC(=O)[*:1] Cc1cc(F)cc(c1)Nc1ccc(cc1N)[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nnc1C1CC1 C=CC[*:1] C[C@@H](Sc1nnc(C2CC2)n1[*:1])C(=O)Nc1cccc(C#N)c1
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nnc1C1CC1 C1CC1[*:1] C=CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1cccc(C#N)c1
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nnc1C1CC1 N#Cc1cccc(c1)[*:1] C=CCn1c(nnc1C1CC1)S[C@H](C)C(=O)N[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)c2cccc(F)c2Cl)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)c1cccc(F)c1Cl)O[*:1]
Cc1noc(C)c1C[NH2+][C@@H](C)C[C@@H](O)c1cccs1 c1csc(c1)[*:1] Cc1noc(C)c1C[NH2+][C@@H](C)C[C@@H](O)[*:1]
CCOC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCOC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C[*:1]
CCOC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] CCOC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1[*:1]
CCOC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 CCOC(=O)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)N[C@@H](C)[*:1]
CCOC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 CCOC(=O)[C@H](C)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)N[*:1]
C=C(C)COc1ccc(C(=O)Nc2cccc(N(C)C(C)=O)c2)cc1 C=C(C)CO[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
C=C(C)COc1ccc(C(=O)Nc2cccc(N(C)C(C)=O)c2)cc1 C=C(C)C[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)c1ccc(cc1)O[*:1]
C=C(C)COc1ccc(C(=O)Nc2cccc(N(C)C(C)=O)c2)cc1 C=C(C)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)c1ccc(cc1)OC[*:1]
C=C(C)COc1ccc(C(=O)Nc2cccc(N(C)C(C)=O)c2)cc1 CC(=O)N(C)[*:1] C=C(C)COc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc1 Fc1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(cc1)C(=O)N[C@H](c1ccc(cc1)OC)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(cc1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc1 CNS(=O)(=O)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(F)cc1
CCO[C@@H]1CCCN(C(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)C1 CCO[*:1] C[C@@H]1CN(Cc2ccccc2NC(=O)N2CCC[C@H](C2)[*:1])C[C@@H](C)O1
Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2F)c1C Cc1cccc(c1C)[*:1] O=C(CSc1nnnn1[*:1])Nc1ccccc1F
Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2F)c1C Fc1ccccc1[*:1] Cc1cccc(c1C)-n1nnnc1SCC(=O)N[*:1]
O=C(c1cccs1)N1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 c1ccc(cc1)C[*:1] O=C(c1cccs1)N1CC[NH+](CC1)C1CC[NH+](CC1)[*:1]
O=C(c1cccs1)N1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 c1csc(c1)[*:1] O=C(N1CC[NH+](CC1)C1CC[NH+](CC1)Cc1ccccc1)[*:1]
O=C(c1cccs1)N1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] O=C(c1cccs1)N1CC[NH+](CC1)C1CC[NH+](CC1)C[*:1]
COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(C)cc23)cc1 COc1ccc(cc1)[*:1] Cc1ccc2O[C@@]3(C)C[C@H](NC(=O)N3[*:1])c2c1
COc1ccc(S(=O)(=O)N(C)C[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 C[C@H](c1ccccc1)[*:1] COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N(C)C[*:1]
COc1ccc(S(=O)(=O)N(C)C[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)[*:1])S(=O)(=O)N(C)C[C@H](C)c1ccccc1
COc1ccc(S(=O)(=O)N(C)C[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N(C)C[C@H](C)[*:1]
Cc1ccc(S(=O)(=O)[N-]/N=C(\c2ccccc2)c2ccc(N(C)C)cc2)cc1 CN(C)c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)[N-]N=C(c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)[N-]/N=C(\c2ccccc2)c2ccc(N(C)C)cc2)cc1 CN(C)[*:1] Cc1ccc(cc1)S(=O)(=O)[N-]/N=C(\c1ccccc1)c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)[N-]/N=C(\c2ccccc2)c2ccc(N(C)C)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)[N-]/N=C(/c1ccc(cc1)N(C)C)[*:1]
Cc1ccc(S(=O)(=O)[N-]/N=C(\c2ccccc2)c2ccc(N(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] CN(C)c1ccc(cc1)/C(=N/[N-]S(=O)(=O)[*:1])c1ccccc1
CCC(CC)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCNC(=O)C2)[C@@H]3C1=O CCC(CC)[*:1] O=C1CN(CCN1)C(=O)[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
NC(=O)[C@H](NCCc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 NC(=O)[*:1] Fc1ccc(cc1)[C@@H](NCCc1cc(Cl)cc(Cl)c1)[*:1]
NC(=O)[C@H](NCCc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@H](NCCc1cc(Cl)cc(Cl)c1)[*:1]
COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@H]1SCCN1S(=O)(=O)[*:1]
Cc1ccc(NC(=O)COC(=O)c2ccccc2[S@@](C)=O)cc1C Cc1ccc(cc1C)[*:1] C[S@@](=O)c1ccccc1C(=O)OCC(=O)N[*:1]
CNC(=O)c1ccc(CN(C)C(=O)[C@@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)[C@@H](O)[*:1]
CNC(=O)c1ccc(CN(C)C(=O)[C@@H](O)c2ccccc2)cc1 CNC(=O)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)[C@@H](O)c1ccccc1
O=S(=O)(c1ccc(F)cc1)N1CCN=C1SCc1c(F)cccc1Cl Fc1ccc(cc1)[*:1] O=S(=O)(N1CCN=C1SCc1c(F)cccc1Cl)[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCN=C1SCc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] O=S(=O)(c1ccc(F)cc1)N1CCN=C1SC[*:1]
Cc1nc(C)c(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)s1 Cc1nc(C)c(s1)[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)[*:1]
Cc1nc(C)c(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)NC[C@@H]1CCN(C1)[*:1]
COc1cc(Cl)cc(CN2CCN(c3ncccc3C#N)CC2)c1OC N#Cc1cccnc1[*:1] COc1cc(Cl)cc(CN2CCN(CC2)[*:1])c1OC
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1cc(C)on1
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)c1 O=C(c1ccccc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1C(=C([O-])C(=O)N1c1cc(C)on1)[*:1]
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)c1 COc1ccc(OC)c(c1)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@H]1[*:1]
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)c1 Cc1cc(no1)[*:1] COc1ccc(OC)c(c1)[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
O=C(NN1Cc2ccccc2C1)c1c[nH]c(=S)n1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NN1Cc2ccccc2C1)c1c[nH]c(=S)n1[*:1]
CCOc1ncccc1C(=O)Nc1cc(Cl)c(Cl)cn1 CCO[*:1] O=C(Nc1cc(Cl)c(Cl)cn1)c1cccnc1[*:1]
O=C(OC[C@@H]1CC=CCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] O=C(OC[C@@H]1CC=CCC1)C1CCN(CC1)C(=O)[*:1]
Cc1nc(C(C)C)sc1C(=O)NCc1ccc2nonc2c1 CC(C)[*:1] Cc1nc(sc1C(=O)NCc1ccc2nonc2c1)[*:1]
CC[C@@H](NC(=O)C(=O)Nc1cccc(N(C)CC)c1)c1ccc(C)cc1 CCN(C)[*:1] CC[C@@H](NC(=O)C(=O)Nc1cccc(c1)[*:1])c1ccc(C)cc1
CC[C@@H](NC(=O)C(=O)Nc1cccc(N(C)CC)c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)C(=O)Nc1cccc(c1)N(C)CC)[*:1]
COc1ccc(Cl)cc1C(=O)N(Cc1cccc2[nH]ccc12)C1CC1 C1CC1[*:1] COc1ccc(Cl)cc1C(=O)N(Cc1cccc2[nH]ccc12)[*:1]
N#Cc1cc(Cl)nc(NNC(=O)c2cc(C3CC3)[nH]n2)c1 C1CC1[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1cc([nH]n1)[*:1]
O=C(Nc1ccncc1)c1cn(C2C[NH2+]C2)nn1 c1cc(ccn1)[*:1] O=C(N[*:1])c1cn(nn1)C1C[NH2+]C1
CC[C@@H](C(=O)N(C)CCCc1cnn(C)c1)n1cccn1 Cn1cc(cn1)[*:1] CC[C@@H](C(=O)N(C)CCC[*:1])n1cccn1
CC[C@@H](C(=O)N(C)CCCc1cnn(C)c1)n1cccn1 Cn1cc(cn1)C[*:1] CC[C@@H](C(=O)N(C)CC[*:1])n1cccn1
CC[C@@H](C(=O)N(C)CCCc1cnn(C)c1)n1cccn1 c1cnn(c1)[*:1] CC[C@@H](C(=O)N(C)CCCc1cnn(C)c1)[*:1]
Nc1ccccc1-c1noc(-c2ccc(F)c(F)c2F)n1 Nc1ccccc1[*:1] Fc1ccc(-c2nc(no2)[*:1])c(F)c1F
Cc1ccc(C(=O)N2CCC(Cc3nnc(-c4ccccc4)o3)CC2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)N1CCC(CC1)Cc1nnc(o1)[*:1]
Cc1ccc(C(=O)N2CCC(Cc3nnc(-c4ccccc4)o3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(N1CCC(CC1)Cc1nnc(o1)-c1ccccc1)[*:1]
O=C([O-])c1ccc(Nc2cc(-c3cccnc3)ncn2)cc1 c1cncc(c1)[*:1] O=C([O-])c1ccc(cc1)Nc1cc(ncn1)[*:1]
O=C([O-])c1ccc(Nc2cc(-c3cccnc3)ncn2)cc1 O=C([O-])[*:1] c1cncc(c1)-c1cc(ncn1)Nc1ccc(cc1)[*:1]
O=C([O-])C(O)(C(=O)[O-])C(=O)[O-] O=C([O-])[*:1] O=C([O-])C(O)(C(=O)[O-])[*:1]
C[C@@H](CNC(=O)N1C[C@H]2CCCC[C@@H]2C1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)N1C[C@H]2CCCC[C@@H]2C1)[*:1]
C[C@@]1(c2ccc(C(=O)Nc3nc(C4CC4)cs3)cc2)NC(=O)NC1=O C1CC1[*:1] C[C@]1(NC(=O)NC1=O)c1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
C[C@@]1(c2ccc(C(=O)Nc3nc(C4CC4)cs3)cc2)NC(=O)NC1=O c1sc(nc1C1CC1)[*:1] C[C@]1(NC(=O)NC1=O)c1ccc(cc1)C(=O)N[*:1]
[NH3+]CC#Cc1cnccc1C(=O)NCCC[NH+]1CCCC1 [NH3+]CC#C[*:1] O=C(NCCC[NH+]1CCCC1)c1ccncc1[*:1]
NNC(=O)c1cc(Cl)cc(Cc2ccccc2)c1O c1ccc(cc1)[*:1] NNC(=O)c1cc(Cl)cc(C[*:1])c1O
NNC(=O)c1cc(Cl)cc(Cc2ccccc2)c1O NNC(=O)[*:1] Oc1c(cc(Cl)cc1[*:1])Cc1ccccc1
CCOCCN(C)C(=O)c1cnn(-c2ccccn2)c1CC CCOCC[*:1] CCc1c(cnn1-c1ccccn1)C(=O)N(C)[*:1]
CCOCCN(C)C(=O)c1cnn(-c2ccccn2)c1CC CCO[*:1] CCc1c(cnn1-c1ccccn1)C(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)c1cnn(-c2ccccn2)c1CC CCOC[*:1] CCc1c(cnn1-c1ccccn1)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)c1cnn(-c2ccccn2)c1CC c1ccc(nc1)[*:1] CCOCCN(C)C(=O)c1cnn(c1CC)[*:1]
CS[C@H]1CCC[C@H](NC(=O)Nc2ccnn2Cc2ccccn2)C1 c1ccc(C[*:1])nc1 CS[C@H]1CCC[C@@H](C1)NC(=O)Nc1ccnn1[*:1]
CS[C@H]1CCC[C@H](NC(=O)Nc2ccnn2Cc2ccccn2)C1 c1ccc(nc1)[*:1] CS[C@H]1CCC[C@@H](C1)NC(=O)Nc1ccnn1C[*:1]
CCn1ccnc1CN1CCC[C@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 CCn1ccnc1C[*:1] COc1ccc2cc(ccc2c1)C(=O)[C@H]1CCCN(C1)[*:1]
CCn1ccnc1CN1CCC[C@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 CCn1ccnc1[*:1] COc1ccc2cc(ccc2c1)C(=O)[C@H]1CCCN(C1)C[*:1]
CC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(cc1)[*:1]
CC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(C(=O)[O-])cc1 c1coc(c1)[*:1] CC1=NC(=C[*:1])C(=O)N1c1ccc(cc1)C(=O)[O-]
Cc1ccccc1NC(=O)CN[C@H](C)c1ccc(Br)cc1 Cc1ccccc1[*:1] C[C@@H](NCC(=O)N[*:1])c1ccc(Br)cc1
Cc1ccccc1NC(=O)CN[C@H](C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CN[C@H](C)[*:1]
CC(C)N1C(=O)C[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1=O CC(C)[*:1] O=C1C[C@@H](NC(=O)C2(CC2)c2ccccc2F)C(=O)N1[*:1]
CC(C)N1C(=O)C[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1=O Fc1ccccc1[*:1] CC(C)N1C(=O)C[C@@H](NC(=O)C2(CC2)[*:1])C1=O
Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)sc1C Cc1cc(sc1C)[*:1] Cc1c(NC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)sc1C c1ccc(cc1)[*:1] Cc1cc(sc1C)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
CCc1cnc(CN(C)C(=O)c2cccnc2N2CCOCC2)s1 C1CN(CCO1)[*:1] CCc1cnc(CN(C)C(=O)c2cccnc2[*:1])s1
CCc1cnc(CN(C)C(=O)c2cccnc2N2CCOCC2)s1 CCc1cnc(s1)[*:1] CN(C[*:1])C(=O)c1cccnc1N1CCOCC1
CCc1cnc(CN(C)C(=O)c2cccnc2N2CCOCC2)s1 CCc1cnc(C[*:1])s1 CN(C(=O)c1cccnc1N1CCOCC1)[*:1]
C=CCn1c(SC2CCCC2)nnc1-c1cccnc1 C1CCC(C1)S[*:1] C=CCn1c(nnc1[*:1])-c1cccnc1
C=CCn1c(SC2CCCC2)nnc1-c1cccnc1 C=CC[*:1] c1cncc(c1)-c1nnc(SC2CCCC2)n1[*:1]
C=CCn1c(SC2CCCC2)nnc1-c1cccnc1 C1CCC(C1)[*:1] C=CCn1c(nnc1-c1cccnc1)S[*:1]
C=CCn1c(SC2CCCC2)nnc1-c1cccnc1 c1cncc(c1)[*:1] C=CCn1c(nnc1[*:1])SC1CCCC1
COC(=O)[C@@H]1CCN(C(=O)NC(=O)COCC(=O)[O-])C1 COC(=O)[*:1] O=C([O-])COCC(=O)NC(=O)N1CC[C@H](C1)[*:1]
COC(=O)[C@@H]1CCN(C(=O)NC(=O)COCC(=O)[O-])C1 O=C([O-])C[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)NC(=O)CO[*:1]
COC(=O)[C@@H]1CCN(C(=O)NC(=O)COCC(=O)[O-])C1 O=C([O-])[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)NC(=O)COC[*:1]
COC(=O)[C@@H]1CCN(C(=O)NC(=O)COCC(=O)[O-])C1 O=C([O-])COC[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)NC(=O)[*:1]
COC(=O)[C@@H]1CCN(C(=O)NC(=O)COCC(=O)[O-])C1 O=C([O-])CO[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)NC(=O)C[*:1]
CC(=O)c1cnc(N[C@H](c2[nH+]ccn2C)C(C)C)nc1C CC(C)[*:1] CC(=O)c1cnc(nc1C)N[C@H](c1[nH+]ccn1C)[*:1]
CC(=O)c1cnc(N[C@H](c2[nH+]ccn2C)C(C)C)nc1C CC(=O)[*:1] Cc1nc(ncc1[*:1])N[C@H](c1[nH+]ccn1C)C(C)C
C[C@H](CCCO)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 OCCC[*:1] C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[*:1]
C[C@H](CCCO)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 OCC[*:1] C[C@H](C[*:1])NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1
C[C@H](CCCO)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 C[C@H](CCCO)[*:1] O=C(N[*:1])N1CCCC[C@@H]1c1[nH]cc[nH+]1
CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccnn1C(C)(C)C CC[C@@H](C)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)NC[C@@H](O)[*:1]
CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccnn1C(C)(C)C CC(C)(C)[*:1] CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccnn1[*:1]
O[C@H](CO[C@H]1CCCc2ccccc21)CSc1nnnn1C1CC1 C1CC1n1nnnc1[*:1] O[C@H](CO[C@H]1CCCc2ccccc21)CS[*:1]
O[C@H](CO[C@H]1CCCc2ccccc21)CSc1nnnn1C1CC1 C1CC1[*:1] O[C@H](CO[C@H]1CCCc2ccccc21)CSc1nnnn1[*:1]
C[C@H](O)c1ccccc1NCc1cc(C#N)cs1 C[C@H](O)[*:1] N#Cc1csc(c1)CNc1ccccc1[*:1]
Cc1nc(C2CC[NH+](Cc3ccc(C)c(F)c3)CC2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cc1ccc(cc1F)C[NH+]1CCC(CC1)[*:1]
CC[C@H](C)n1ccc(C[C@@H]([NH3+])c2ncc(Cl)cc2Cl)n1 CC[C@H](C)[*:1] [NH3+][C@H](Cc1ccn(n1)[*:1])c1ncc(Cl)cc1Cl
CC(=O)Nc1cccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)C(=O)N(C)[C@@H](C)[*:1]
CC(=O)Nc1cccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 CC(=O)N[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(c1)[*:1]
C=CCN(CC1CCCCC1)C(=O)c1cccc(OC)c1OC C1CCC(CC1)[*:1] C=CCN(C[*:1])C(=O)c1cccc(OC)c1OC
C=CCN(CC1CCCCC1)C(=O)c1cccc(OC)c1OC C1CCC(CC1)C[*:1] C=CCN(C(=O)c1cccc(OC)c1OC)[*:1]
C=CCN(CC1CCCCC1)C(=O)c1cccc(OC)c1OC C=CC[*:1] COc1cccc(C(=O)N(CC2CCCCC2)[*:1])c1OC
Cc1nc(N(C)C)ncc1C(=O)N[C@H](C)c1ccccc1-n1cccn1 CN(C)[*:1] Cc1nc(ncc1C(=O)N[C@H](C)c1ccccc1-n1cccn1)[*:1]
Cc1nc(N(C)C)ncc1C(=O)N[C@H](C)c1ccccc1-n1cccn1 c1cnn(c1)[*:1] Cc1nc(ncc1C(=O)N[C@H](C)c1ccccc1[*:1])N(C)C
Cc1nn2c(C)nnc2c2nn(-c3cccc(Cl)c3)c(C)c12 Clc1cccc(c1)[*:1] Cc1nn2c(C)nnc2c2nn(c(C)c12)[*:1]
COc1cccc(CN(C[C@H]2CC(c3ccc(F)cc3)=NO2)C(=O)c2cccc(F)c2)c1 COc1cccc(c1)[*:1] O=C(c1cccc(F)c1)N(C[C@H]1CC(=NO1)c1ccc(F)cc1)C[*:1]
COc1cccc(CN(C[C@H]2CC(c3ccc(F)cc3)=NO2)C(=O)c2cccc(F)c2)c1 COc1cccc(c1)C[*:1] O=C(c1cccc(F)c1)N(C[C@H]1CC(=NO1)c1ccc(F)cc1)[*:1]
COc1cccc(CN(C[C@H]2CC(c3ccc(F)cc3)=NO2)C(=O)c2cccc(F)c2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CN(C[C@H]1CC(=NO1)[*:1])C(=O)c1cccc(F)c1
COc1cccc(CN(C[C@H]2CC(c3ccc(F)cc3)=NO2)C(=O)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)CN(C[C@H]1CC(=NO1)c1ccc(F)cc1)C(=O)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1noc2c1C[C@@H](C)CC2 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1NC(=O)c1noc2CC[C@H](C)Cc12)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1noc2c1C[C@@H](C)CC2 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)c1noc2CC[C@H](C)Cc12
C[C@H](c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)n1cc(Cl)cn1 Clc1cnn(c1)[*:1] C[C@H](c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)[*:1]
C[C@H](c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)n1cc(Cl)cn1 c1ccc(cc1)C[*:1] C[C@H](c1nnc(Nc2ccn(n2)[*:1])s1)n1cc(Cl)cn1
C[C@H](c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)n1cc(Cl)cn1 c1ccc(cc1)[*:1] C[C@H](c1nnc(Nc2ccn(C[*:1])n2)s1)n1cc(Cl)cn1
COc1ccccc1NC(=O)CSc1nc2c(C)cccc2cc1C COc1ccccc1[*:1] Cc1cc2cccc(C)c2nc1SCC(=O)N[*:1]
Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 Cn1cc(cn1)[*:1] N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 N#Cc1ccc(cc1)[*:1] Cn1cc(cn1)[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C[*:1]
CC(C)[C@@H](C)NC(=O)C[S@@](=O)Cc1nc(-c2ccco2)no1 CC(C)[*:1] C[C@@H](NC(=O)C[S@@](=O)Cc1nc(no1)-c1ccco1)[*:1]
CC(C)[C@@H](C)NC(=O)C[S@@](=O)Cc1nc(-c2ccco2)no1 CC(C)[C@@H](C)[*:1] O=C(C[S@@](=O)Cc1nc(no1)-c1ccco1)N[*:1]
CC(C)[C@@H](C)NC(=O)C[S@@](=O)Cc1nc(-c2ccco2)no1 c1coc(c1)[*:1] CC(C)[C@@H](C)NC(=O)C[S@@](=O)Cc1nc(no1)[*:1]
C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)CCc1ccccn1 c1ccc(C[*:1])nc1 C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)C[*:1]
C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)CCc1ccccn1 c1ccc(nc1)[*:1] C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N(C)CC[*:1]
Cc1cccc2ncnc(N[C@@H](C)c3noc(Cc4ccccc4)n3)c12 c1ccc(cc1)C[*:1] Cc1cccc2ncnc(N[C@@H](C)c3noc(n3)[*:1])c12
Cc1cccc2ncnc(N[C@@H](C)c3noc(Cc4ccccc4)n3)c12 c1ccc(cc1)[*:1] Cc1cccc2ncnc(N[C@@H](C)c3noc(C[*:1])n3)c12
O=C(c1cnn2c(C(F)(F)F)cc(C3CC3)nc12)N1CCCC1 O=C(N1CCCC1)[*:1] FC(F)(F)c1cc(nc2c(cnn12)[*:1])C1CC1
O=C(c1cnn2c(C(F)(F)F)cc(C3CC3)nc12)N1CCCC1 FC(F)(F)[*:1] O=C(c1cnn2c(cc(nc12)C1CC1)[*:1])N1CCCC1
O=C(c1cnn2c(C(F)(F)F)cc(C3CC3)nc12)N1CCCC1 C1CC1[*:1] O=C(c1cnn2c(cc(nc12)[*:1])C(F)(F)F)N1CCCC1
Cc1csc(CS[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)n1 Cc1csc(n1)[*:1] C[C@@H](SC[*:1])C(=O)Nc1ccc2OCCCOc2c1
Cc1csc(CS[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)n1 Cc1csc(C[*:1])n1 C[C@@H](S[*:1])C(=O)Nc1ccc2OCCCOc2c1
Cc1csc(CS[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)n1 Cc1csc(CS[*:1])n1 C[C@H](C(=O)Nc1ccc2OCCCOc2c1)[*:1]
Cc1cccc(OC[C@@H](O)CNC(=O)Nc2cc(C(C)(C)C)on2)c1 Cc1cccc(c1)[*:1] CC(C)(C)c1cc(no1)NC(=O)NC[C@H](O)CO[*:1]
Cc1cccc(OC[C@@H](O)CNC(=O)Nc2cc(C(C)(C)C)on2)c1 CC(C)(C)[*:1] Cc1cccc(c1)OC[C@@H](O)CNC(=O)Nc1cc(on1)[*:1]
Cc1cccc(OC[C@@H](O)CNC(=O)Nc2cc(C(C)(C)C)on2)c1 Cc1cccc(c1)O[*:1] CC(C)(C)c1cc(no1)NC(=O)NC[C@H](O)C[*:1]
CC(=O)c1cccc(NC(=O)NCc2nc(-c3ccncc3)n[nH]2)c1 c1cc(ccn1)[*:1] CC(=O)c1cccc(c1)NC(=O)NCc1nc(n[nH]1)[*:1]
CC(=O)c1cccc(NC(=O)NCc2nc(-c3ccncc3)n[nH]2)c1 CC(=O)[*:1] O=C(NCc1nc(n[nH]1)-c1ccncc1)Nc1cccc(c1)[*:1]
C[C@@H](CNC(=O)N[C@@H](C)C1CCC1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@@H](C)C1CCC1)c1nc(no1)[*:1]
C[C@@H](CNC(=O)N[C@@H](C)C1CCC1)c1nc(-c2ccccc2)no1 C[C@@H](C1CCC1)[*:1] C[C@@H](CNC(=O)N[*:1])c1nc(no1)-c1ccccc1
C[C@@H](CNC(=O)N[C@@H](C)C1CCC1)c1nc(-c2ccccc2)no1 C1CC(C1)[*:1] C[C@@H](CNC(=O)N[C@@H](C)[*:1])c1nc(no1)-c1ccccc1
CCC(C)(C)NC(=O)[C@H](C)O/N=C(/N)CN1CCc2ccccc21 CCC(C)(C)[*:1] C[C@H](O/N=C(/N)CN1CCc2ccccc21)C(=O)N[*:1]
CCC(C)(C)NC(=O)[C@H](C)O/N=C(/N)CN1CCc2ccccc21 CCC(C)(C)NC(=O)[*:1] C[C@H](O/N=C(/N)CN1CCc2ccccc21)[*:1]
Cc1ccn(Cc2coc(-c3ccc(F)cc3)n2)c(=O)c1 Fc1ccc(cc1)[*:1] Cc1ccn(Cc2coc(n2)[*:1])c(=O)c1
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(cc1)C(F)(F)F)N1CCN(CC1)c1ccc(nn1)N[*:1]
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1 c1ccc(cc1)CN[*:1] O=C(c1ccc(cc1)C(F)(F)F)N1CCN(CC1)c1ccc(nn1)[*:1]
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(nn1)NCc1ccccc1
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)C(F)(F)F)N1CCN(CC1)c1ccc(nn1)NC[*:1]
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1 FC(F)(F)c1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1ccc(nn1)NCc1ccccc1)[*:1]
Cc1n[nH]c(SCCC(=O)NCC2(c3cccc(F)c3)CC2)n1 Cc1n[nH]c(n1)[*:1] O=C(CCS[*:1])NCC1(CC1)c1cccc(F)c1
Cc1n[nH]c(SCCC(=O)NCC2(c3cccc(F)c3)CC2)n1 Cc1n[nH]c(n1)S[*:1] O=C(CC[*:1])NCC1(CC1)c1cccc(F)c1
Cc1n[nH]c(SCCC(=O)NCC2(c3cccc(F)c3)CC2)n1 Fc1cccc(c1)[*:1] Cc1n[nH]c(n1)SCCC(=O)NCC1(CC1)[*:1]
N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 Clc1ccccc1[*:1] N#Cc1nc(C=C[*:1])oc1N1CCN(CC1)C(=O)c1cccc(Cl)c1
N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 Clc1ccccc1C=C[*:1] N#Cc1nc(oc1N1CCN(CC1)C(=O)c1cccc(Cl)c1)[*:1]
N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(CC1)C(=O)[*:1]
Cc1ccc(N)c(Cc2nc(-c3ccccc3)cs2)c1 c1ccc(cc1)[*:1] Cc1ccc(N)c(c1)Cc1nc(cs1)[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)N(C)Cc1ccncc1 c1cc(ccn1)[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N(C)C[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)N(C)Cc1ccncc1 c1cc(ccn1)C[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N(C)[*:1]
Cn1cnc(S(=O)(=O)NCc2ccc(Cn3ccnc3)cc2)c1 c1cn(cn1)[*:1] Cn1cnc(c1)S(=O)(=O)NCc1ccc(cc1)C[*:1]
Cn1cnc(S(=O)(=O)NCc2ccc(Cn3ccnc3)cc2)c1 c1cn(cn1)C[*:1] Cn1cnc(c1)S(=O)(=O)NCc1ccc(cc1)[*:1]
Cn1cnc(S(=O)(=O)NCc2ccc(Cn3ccnc3)cc2)c1 Cn1cnc(c1)[*:1] O=S(=O)(NCc1ccc(cc1)Cn1ccnc1)[*:1]
Cc1cc(Br)cc(C)c1NC(=O)N1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] Cc1cc(Br)cc(C)c1NC(=O)N1CC[NH+](CC1)[*:1]
Cc1cc(Br)cc(C)c1NC(=O)N1CC[NH+](CC(C)C)CC1 CC(C)[*:1] Cc1cc(Br)cc(C)c1NC(=O)N1CC[NH+](CC1)C[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)CCN1C(=O)CCc2ccccc21 Fc1ccccc1[*:1] C[C@@H](N(C)C(=O)CCN1C(=O)CCc2ccccc21)[*:1]
O=C(NCCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)[*:1]
CCC[C@@H]1CC[C@H]([NH3+])[C@H](Cc2nc(C)cs2)C1 CCC[*:1] Cc1csc(C[C@@H]2C[C@@H](CC[C@@H]2[NH3+])[*:1])n1
O=C(Cc1cnc(-c2ccccc2F)s1)Nc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 O=C(Cc1cnc(s1)-c1ccccc1F)Nc1ccc(cc1)[*:1]
O=C(Cc1cnc(-c2ccccc2F)s1)Nc1ccc(Cn2cncn2)cc1 Fc1ccccc1[*:1] O=C(Cc1cnc(s1)[*:1])Nc1ccc(cc1)Cn1cncn1
O=C(Cc1cnc(-c2ccccc2F)s1)Nc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] O=C(Cc1cnc(s1)-c1ccccc1F)Nc1ccc(cc1)C[*:1]
COc1ccc([C@H](C)N[C@@H](C)[C@H](O)c2ccc(F)c(F)c2)c(OC)c1 Fc1ccc(cc1F)[*:1] COc1ccc(c(c1)OC)[C@H](C)N[C@@H](C)[C@H](O)[*:1]
CCc1nc(-c2cncn2C2CC2)c(N)n1N C1CC1[*:1] CCc1nc(-c2cncn2[*:1])c(N)n1N
Cc1cccc(NC(=O)C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c1 O=c1ccccn1C[*:1] Cc1cccc(c1)NC(=O)C(=O)NCc1ccc(cc1)[*:1]
Cc1cccc(NC(=O)C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c1 O=c1ccccn1[*:1] Cc1cccc(c1)NC(=O)C(=O)NCc1ccc(cc1)C[*:1]
Cc1cccc(NC(=O)C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c1 Cc1cccc(c1)[*:1] O=C(NCc1ccc(cc1)Cn1ccccc1=O)C(=O)N[*:1]
CC[NH+](Cc1nc(Cc2ccccc2)no1)C1CC1 C1CC1[*:1] CC[NH+](Cc1nc(Cc2ccccc2)no1)[*:1]
CC[NH+](Cc1nc(Cc2ccccc2)no1)C1CC1 c1ccc(cc1)[*:1] CC[NH+](Cc1nc(C[*:1])no1)C1CC1
CC1=NN(c2ccc(C(=O)N(CCc3cccc(F)c3)C3CC3)cc2)CC1 Fc1cccc(c1)C[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N(C[*:1])C1CC1
CC1=NN(c2ccc(C(=O)N(CCc3cccc(F)c3)C3CC3)cc2)CC1 C1CC1[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N(CCc1cccc(F)c1)[*:1]
CC1=NN(c2ccc(C(=O)N(CCc3cccc(F)c3)C3CC3)cc2)CC1 Fc1cccc(c1)CC[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N(C1CC1)[*:1]
CC1=NN(c2ccc(C(=O)N(CCc3cccc(F)c3)C3CC3)cc2)CC1 Fc1cccc(c1)[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N(CC[*:1])C1CC1
Cc1ccc(-c2noc(-c3cccn3CC(=O)NCc3cccc(C(F)(F)F)c3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1cccc1-c1nc(no1)[*:1])NCc1cccc(c1)C(F)(F)F
Cc1ccc(-c2noc(-c3cccn3CC(=O)NCc3cccc(C(F)(F)F)c3)n2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1noc(n1)-c1cccn1CC(=O)NCc1cccc(c1)[*:1]
Cc1ccc(-c2noc(-c3cccn3CC(=O)NCc3cccc(C(F)(F)F)c3)n2)cc1 FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(cc1)-c1noc(n1)-c1cccn1CC(=O)NC[*:1]
CC(C)(C)NC(=O)C(=O)NCC[NH+]1CCC(c2ccsc2)CC1 CC(C)(C)[*:1] O=C(NCC[NH+]1CCC(CC1)c1ccsc1)C(=O)N[*:1]
CC(C)(C)NC(=O)C(=O)NCC[NH+]1CCC(c2ccsc2)CC1 c1cc(cs1)[*:1] CC(C)(C)NC(=O)C(=O)NCC[NH+]1CCC(CC1)[*:1]
CCN(C(=O)C[C@H]1CCCO1)c1ccc(C)cc1C C1CO[C@H](C1)[*:1] CCN(C(=O)C[*:1])c1ccc(C)cc1C
CCN(C(=O)C[C@H]1CCCO1)c1ccc(C)cc1C C1CO[C@H](C1)C[*:1] CCN(C(=O)[*:1])c1ccc(C)cc1C
CCCNC(=O)[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1 CCCNC(=O)[*:1] C[C@H](N[C@H](C)[*:1])c1cc(F)cc(F)c1
CCCNC(=O)[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1 CCC[*:1] C[C@H](N[C@H](C)C(=O)N[*:1])c1cc(F)cc(F)c1
Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)CCC(=O)NCc3ccc(F)cc3)cc12 O=C(NCc1ccc(F)cc1)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)CC[*:1])N1CCC(C)CC1
Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)CCC(=O)NCc3ccc(F)cc3)cc12 CC1CCN(CC1)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)CCC(=O)NCc1ccc(F)cc1)[*:1]
Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)CCC(=O)NCc3ccc(F)cc3)cc12 Fc1ccc(cc1)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)CCC(=O)NC[*:1])N1CCC(C)CC1
Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)CCC(=O)NCc3ccc(F)cc3)cc12 Fc1ccc(cc1)C[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)CCC(=O)N[*:1])N1CCC(C)CC1
Cn1nccc1CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C Cn1nccc1C[*:1] Cn1c(=O)c2cc(cnc2n(C)c1=O)C(=O)N[*:1]
Cn1nccc1CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C Cn1nccc1[*:1] Cn1c(=O)c2cc(cnc2n(C)c1=O)C(=O)NC[*:1]
Cc1cc(C)cc(CCNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)c1 CC(C)(C)[*:1] Cc1cc(C)cc(c1)CCNC(=O)c1c(C)nc([nH]c1=O)[*:1]
Cc1cc(C)cc(CCNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)c1 Cc1cc(C)cc(c1)[*:1] Cc1nc([nH]c(=O)c1C(=O)NCC[*:1])C(C)(C)C
C[C@@H]1COC2(CCN(C(=O)N[C@@H](c3nccs3)C3CC3)CC2)O1 c1csc(n1)[*:1] C[C@@H]1COC2(CCN(CC2)C(=O)N[C@@H](C2CC2)[*:1])O1
C[C@@H]1COC2(CCN(C(=O)N[C@@H](c3nccs3)C3CC3)CC2)O1 C1CC1[*:1] C[C@@H]1COC2(CCN(CC2)C(=O)N[C@@H](c2nccs2)[*:1])O1
COc1ccc(C#CCO)c(CSC[C@@H](C)CO)c1 C[C@@H](CO)[*:1] COc1ccc(C#CCO)c(c1)CSC[*:1]
COc1ccc(C#CCO)c(CSC[C@@H](C)CO)c1 C[C@@H](CO)C[*:1] COc1ccc(C#CCO)c(c1)CS[*:1]
COc1ccc(C#CCO)c(CSC[C@@H](C)CO)c1 OCC#C[*:1] COc1ccc(c(c1)CSC[C@@H](C)CO)[*:1]
COc1ccc(C#CCO)c(CSC[C@@H](C)CO)c1 C[C@@H](CO)CS[*:1] COc1ccc(C#CCO)c(c1)C[*:1]
CC(=O)N[C@@H](CC(=O)NCCc1nc(C)no1)c1c(F)cccc1F Cc1noc(CC[*:1])n1 CC(=O)N[C@@H](CC(=O)N[*:1])c1c(F)cccc1F
CC(=O)N[C@@H](CC(=O)NCCc1nc(C)no1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] CC(=O)N[C@@H](CC(=O)NCCc1nc(C)no1)[*:1]
CC(=O)N[C@@H](CC(=O)NCCc1nc(C)no1)c1c(F)cccc1F CC(=O)N[*:1] Cc1noc(CCNC(=O)C[C@@H](c2c(F)cccc2F)[*:1])n1
CC(=O)N[C@@H](CC(=O)NCCc1nc(C)no1)c1c(F)cccc1F Cc1noc(C[*:1])n1 CC(=O)N[C@@H](CC(=O)NC[*:1])c1c(F)cccc1F
CC(=O)N[C@@H](CC(=O)NCCc1nc(C)no1)c1c(F)cccc1F Cc1noc(n1)[*:1] CC(=O)N[C@@H](CC(=O)NCC[*:1])c1c(F)cccc1F
Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2C)C(C)C)n(C)n1 Cc1ccccc1[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](C(C)C)[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2C)C(C)C)n(C)n1 CC(C)[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2C)[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2C)C(C)C)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1ccccc1[C@H](NC(=O)C(=O)N[*:1])C(C)C
CO[C@H]1CCCC[C@@H]1[NH2+][C@H](CO)C(C)C CC(C)[*:1] CO[C@H]1CCCC[C@@H]1[NH2+][C@H](CO)[*:1]
Cc1cc(OCC(=O)Nc2nonc2-c2ccc(Cl)cc2)ccc1Cl Clc1ccc(cc1)[*:1] Cc1cc(ccc1Cl)OCC(=O)Nc1nonc1[*:1]
Cc1cc(OCC(=O)Nc2nonc2-c2ccc(Cl)cc2)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C(CO[*:1])Nc1nonc1-c1ccc(Cl)cc1
O=C([O-])[C@@H]1CC(=O)N(CCCCc2ccccn2)C1 c1ccc(nc1)[*:1] O=C([O-])[C@@H]1CC(=O)N(CCCC[*:1])C1
O=C([O-])[C@@H]1CC(=O)N(CCCCc2ccccn2)C1 O=C([O-])[*:1] O=C1C[C@H](CN1CCCCc1ccccn1)[*:1]
O=C(NCc1ccc(Cn2ccnc2)cc1)NCc1ccc2c(c1)OCO2 c1cn(cn1)C[*:1] O=C(NCc1ccc(cc1)[*:1])NCc1ccc2OCOc2c1
O=C(NCc1ccc(Cn2ccnc2)cc1)NCc1ccc2c(c1)OCO2 c1cn(cn1)[*:1] O=C(NCc1ccc(cc1)C[*:1])NCc1ccc2OCOc2c1
O=C(NCc1ccc(Cn2ccnc2)cc1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(NCc1ccc(cc1)Cn1ccnc1)NC[*:1]
O=C(Nc1ccc(-n2cccn2)cc1)c1ccc2ccccc2c1 c1cnn(c1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2ccccc2c1
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC[C@@H](C)C[C@H](C)O c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)NC[C@@H](C)C[C@H](C)O)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC[C@@H](C)C[C@H](C)O O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1NC(=O)NC[C@@H](C)C[C@H](C)O)[*:1]
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC[C@@H](C)C[C@H](C)O C[C@H](O)[*:1] Cc1ccc(cc1NC(=O)NC[C@@H](C)C[*:1])C(=O)Nc1ccccc1
COc1ccccc1[C@@H](Nc1ncc([N+](=O)[O-])cc1C)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](Nc1ncc(cc1C)[N+](=O)[O-])[*:1]
COc1ccccc1[C@@H](Nc1ncc([N+](=O)[O-])cc1C)c1ccccn1 COc1ccccc1[*:1] Cc1cc(cnc1N[C@@H](c1ccccn1)[*:1])[N+](=O)[O-]
COc1ccccc1[C@@H](Nc1ncc([N+](=O)[O-])cc1C)c1ccccn1 O=[N+]([O-])[*:1] COc1ccccc1[C@@H](Nc1ncc(cc1C)[*:1])c1ccccn1
Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)s1 Cc1ccc(s1)[*:1] O=C1N(CCC[C@]1(O)C[NH2+]C[*:1])CC1CCCCC1
Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)s1 C1CCC(CC1)C[*:1] Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(C2=O)[*:1])s1
Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)s1 C1CCC(CC1)[*:1] Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(C[*:1])C2=O)s1
Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)s1 Cc1ccc(C[*:1])s1 O=C1N(CCC[C@]1(O)C[NH2+][*:1])CC1CCCCC1
CC(C)CNC(=O)NC(=O)Cn1nnc2ccccc2c1=O CC(C)C[*:1] O=C(Cn1nnc2ccccc2c1=O)NC(=O)N[*:1]
CC(C)CNC(=O)NC(=O)Cn1nnc2ccccc2c1=O CC(C)[*:1] O=C(Cn1nnc2ccccc2c1=O)NC(=O)NC[*:1]
C#Cc1cccc(NC(=O)N(C)Cc2csc(Br)c2)c1 Brc1cc(cs1)[*:1] C#Cc1cccc(c1)NC(=O)N(C)C[*:1]
CC1(COc2cccc(CN(C(=O)c3cccc(Cl)c3)C3CCCC3)c2)COC1 Clc1cccc(c1)[*:1] CC1(COC1)COc1cccc(c1)CN(C(=O)[*:1])C1CCCC1
CC1(COc2cccc(CN(C(=O)c3cccc(Cl)c3)C3CCCC3)c2)COC1 CC1(COC1)C[*:1] O=C(c1cccc(Cl)c1)N(Cc1cccc(c1)O[*:1])C1CCCC1
CC1(COc2cccc(CN(C(=O)c3cccc(Cl)c3)C3CCCC3)c2)COC1 CC1(COC1)CO[*:1] O=C(c1cccc(Cl)c1)N(Cc1cccc(c1)[*:1])C1CCCC1
CC1(COc2cccc(CN(C(=O)c3cccc(Cl)c3)C3CCCC3)c2)COC1 CC1(COC1)[*:1] O=C(c1cccc(Cl)c1)N(Cc1cccc(c1)OC[*:1])C1CCCC1
CC1(COc2cccc(CN(C(=O)c3cccc(Cl)c3)C3CCCC3)c2)COC1 C1CCC(C1)[*:1] CC1(COC1)COc1cccc(c1)CN(C(=O)c1cccc(Cl)c1)[*:1]
O=C(CCSc1ccc2c(c1)OCCCO2)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCSc1ccc2OCCCOc2c1)N[*:1]
O=C(CCSc1ccc2c(c1)OCCCO2)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCSc1ccc2OCCCOc2c1)NC[*:1]
N#CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]12 Brc1ccccc1[*:1] N#CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C(=O)[C@@H]12)[*:1]
CCn1nccc1[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)n(CC)n1 CCn1nccc1[*:1] CCn1nc(cc1C(F)(F)F)C[NH2+][C@H](C)[*:1]
CCn1nccc1[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)n(CC)n1 FC(F)(F)[*:1] CCn1nccc1[C@@H](C)[NH2+]Cc1cc(n(CC)n1)[*:1]
O=C(CCc1ccc(F)c(F)c1)NC[C@H](O)c1ccccc1Cl Clc1ccccc1[*:1] O=C(CCc1ccc(F)c(F)c1)NC[C@H](O)[*:1]
CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccc(O)cc1 C1CC1[*:1] CC(C)[C@H]1C[NH2+][C@@](C)(CN1Cc1ccc(O)cc1)[*:1]
CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccc(O)cc1 Oc1ccc(cc1)[*:1] CC(C)[C@H]1C[NH2+][C@](C)(CN1C[*:1])C1CC1
CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccc(O)cc1 CC(C)[*:1] C[C@@]1(CN(Cc2ccc(O)cc2)[C@H](C[NH2+]1)[*:1])C1CC1
Cn1cnnc1-c1ccc(NC(=O)c2ccncc2)cc1 Cn1cnnc1[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccncc1
Cn1cnnc1-c1ccc(NC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] Cn1cnnc1-c1ccc(cc1)NC(=O)[*:1]
CCc1cc(NC(=O)C2CC2)ccc1OC(C)C CC(C)[*:1] CCc1cc(ccc1O[*:1])NC(=O)C1CC1
CCc1cc(NC(=O)C2CC2)ccc1OC(C)C O=C(N[*:1])C1CC1 CCc1cc(ccc1OC(C)C)[*:1]
CCc1cc(NC(=O)C2CC2)ccc1OC(C)C CC(C)O[*:1] CCc1cc(ccc1[*:1])NC(=O)C1CC1
CCc1cc(NC(=O)C2CC2)ccc1OC(C)C C1CC1[*:1] CCc1cc(ccc1OC(C)C)NC(=O)[*:1]
CC(=O)Nc1cc(NC(=O)N[C@@H]2CC=CCC2)ccc1Cl CC(=O)N[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])N[C@@H]1CC=CCC1
CC[C@@H]1CCCC[C@@H]1NC(=O)NCCCN1CCOCC1 C1CN(CCO1)[*:1] CC[C@@H]1CCCC[C@@H]1NC(=O)NCCC[*:1]
CC[C@@H]1CCCC[C@@H]1NC(=O)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] CC[C@@H]1CCCC[C@@H]1NC(=O)NCC[*:1]
O=C(NCc1nnc2n1CCC2)Nc1nnc(C2CC2)s1 C1CC1[*:1] O=C(NCc1nnc2CCCn21)Nc1nnc(s1)[*:1]
CC(=O)Nc1cc(NC(=O)NCCCC[NH+]2CCCC2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)NCCCC[NH+]1CCCC1
COc1ccccc1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)N1CCC(CC1)[C@H](O)[*:1]
COc1ccccc1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1 COc1ccccc1[*:1] O=C(N[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
COc1ccccc1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1 O[C@H](c1ccccc1)[*:1] COc1ccccc1NC(=O)N1CCC(CC1)[*:1]
CCN[C@]1(C#N)CC[C@H](N2CCO[C@H](C)C2)C1 CCN[*:1] C[C@@H]1CN(CCO1)[C@H]1CC[C@@](C#N)(C1)[*:1]
CC(C)COC(=O)c1cc(=O)c2ccccc2o1 CC(C)[*:1] O=C(OC[*:1])c1cc(=O)c2ccccc2o1
CC(C)COC(=O)c1cc(=O)c2ccccc2o1 CC(C)C[*:1] O=C(O[*:1])c1cc(=O)c2ccccc2o1
O=C(Cc1csc(-c2ccoc2)n1)N1CCc2ccccc21 c1cc(co1)[*:1] O=C(Cc1csc(n1)[*:1])N1CCc2ccccc21
CCOC(=O)C1=C(N)N2CCN=C2N2N=Cc3ccccc3[C@H]12 CCOC(=O)[*:1] NC1=C([C@H]2c3ccccc3C=NN2C2=NCCN21)[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)N=C(N/N=C/c3ccccc3)S2)cc1 COc1ccc(cc1)[*:1] O=C1C[C@@H](SC(=N1)N/N=C/c1ccccc1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)N=C(N/N=C/c3ccccc3)S2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CC(=O)N=C(NN=C[*:1])S1
CCCN(C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCN(C(=O)CN1C(=O)N[C@@](CC)(C1=O)[*:1])[C@H]1CCS(=O)(=O)C1
CCCN(C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 CCC[*:1] CC[C@]1(NC(=O)N(CC(=O)N([C@H]2CCS(=O)(=O)C2)[*:1])C1=O)c1ccccc1
CCCN(C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCN(C(=O)CN1C(=O)N[C@](CC)(C1=O)c1ccccc1)[*:1]
COc1ccc([C@H](O)[C@H](C)Nc2ncnc3ccc(C)cc23)cc1 COc1ccc(cc1)[*:1] Cc1ccc2ncnc(N[C@@H](C)[C@@H](O)[*:1])c2c1
CCC[C@H](NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1cccs1 c1csc(c1)[*:1] CCC[C@H](NC(=O)c1cc2cc(ccc2n1C)S(=O)(=O)N(C)C)[*:1]
CCC[C@H](NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1cccs1 CN(C)S(=O)(=O)[*:1] CCC[C@H](NC(=O)c1cc2cc(ccc2n1C)[*:1])c1cccs1
CCC[C@H](NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1cccs1 CCC[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N[C@H](c1cccs1)[*:1])n2C
C[C@H](NC(=O)CCOc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 Clc1ccccc1[*:1] C[C@H](NC(=O)CCO[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@H](NC(=O)CCOc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 Clc1ccccc1O[*:1] C[C@H](NC(=O)CC[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@H](NC(=O)CCOc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](NC(=O)CCOc1ccccc1Cl)c1ccc(cc1)[*:1]
CCOC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2)c1C Cc1ccc(cc1)[*:1] CCOC(=O)c1cccc(NC(=O)CC[*:1])c1C
CCOC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2)c1C Cc1ccc(cc1)C[*:1] CCOC(=O)c1cccc(NC(=O)C[*:1])c1C
CCOC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2)c1C CCOC(=O)[*:1] Cc1ccc(cc1)CCC(=O)Nc1cccc(c1C)[*:1]
C[C@H]1CN(C(=O)NCCNC(=O)c2ccccc2)C[C@H](c2ccccc2)O1 O=C(N[*:1])c1ccccc1 C[C@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)NCC[*:1]
C[C@H]1CN(C(=O)NCCNC(=O)c2ccccc2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)NCCNC(=O)[*:1]
C[C@H]1CN(C(=O)NCCNC(=O)c2ccccc2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])C(=O)NCCNC(=O)c1ccccc1
CCCCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 CCCCS[*:1] Cc1ccc(cc1C)NC(=O)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
CCCCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 CCC[*:1] Cc1ccc(cc1C)NC(=O)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)SC[*:1]
CCCCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 CCCC[*:1] Cc1ccc(cc1C)NC(=O)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)S[*:1]
CCCCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 Cc1ccc(cc1C)[*:1] CCCCSc1nc2NC(=O)C[C@@H](C(=O)N[*:1])c2c(=O)[nH]1
COC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccccc3)C(=O)[C@@H]12 c1ccc(cc1)[*:1] COC(=O)C1=NN[C@@]2(C)C(=O)N(C(=O)[C@@H]12)[*:1]
CNc1c(C(=O)NC[C@@H]2CCCO2)cccc1C(F)(F)F C1CO[C@@H](C1)C[*:1] CNc1c(cccc1C(F)(F)F)C(=O)N[*:1]
CNc1c(C(=O)NC[C@@H]2CCCO2)cccc1C(F)(F)F C1CO[C@@H](C1)[*:1] CNc1c(cccc1C(F)(F)F)C(=O)NC[*:1]
CNc1c(C(=O)NC[C@@H]2CCCO2)cccc1C(F)(F)F FC(F)(F)[*:1] CNc1c(cccc1[*:1])C(=O)NC[C@@H]1CCCO1
CC1=C[C@@H]2[C@@H](C(C)C)C(=O)C[C@@H](C)[C@H]2C[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O CC(C)[*:1] CC1=C[C@H]2[C@H](C[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@H](C)CC(=O)[C@H]2[*:1]
O=C(C/C=C/c1ccc(F)cc1)NCCc1ccccn1 c1ccc(nc1)[*:1] O=C(C/C=C/c1ccc(F)cc1)NCC[*:1]
O=C(C/C=C/c1ccc(F)cc1)NCCc1ccccn1 c1ccc(C[*:1])nc1 O=C(C/C=C/c1ccc(F)cc1)NC[*:1]
O=C(C/C=C/c1ccc(F)cc1)NCCc1ccccn1 Fc1ccc(cc1)[*:1] O=C(CC=C[*:1])NCCc1ccccn1
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 CCOC(=O)[*:1] CC1=C([C@H](CC(=O)N1c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCOC(=O)C1=C(C)N(C(=O)C[C@@H]1C(=O)Nc1cccc(c1)[*:1])c1ccccc1
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] CCOC(=O)C1=C(C)N(C(=O)C[C@@H]1C(=O)N[*:1])c1ccccc1
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N(C(=O)C[C@@H]1C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc3cc(C)c4cccc(C)c4n23)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1cc2nnc(S[C@H](C)C(=O)N[*:1])n2c2c(C)cccc12
CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc3cc(C)c4cccc(C)c4n23)cc1 CC(=O)[*:1] Cc1cc2nnc(S[C@H](C)C(=O)Nc3ccc(cc3)[*:1])n2c2c(C)cccc12
CC(C)(C)C(=O)CNC(=O)c1cc(Cl)cc(Cl)c1 CC(C)(C)[*:1] O=C(NCC(=O)[*:1])c1cc(Cl)cc(Cl)c1
CC(C)(C)C(=O)CNC(=O)c1cc(Cl)cc(Cl)c1 CC(C)(C)C(=O)[*:1] O=C(NC[*:1])c1cc(Cl)cc(Cl)c1
CN1C(=O)C(Sc2nnc(NC[C@H]3CCCO3)s2)=C2CCCC[C@@]21c1ccccc1Cl C1CO[C@H](C1)C[*:1] CN1C(=O)C(Sc2nnc(N[*:1])s2)=C2CCCC[C@@]21c1ccccc1Cl
CN1C(=O)C(Sc2nnc(NC[C@H]3CCCO3)s2)=C2CCCC[C@@]21c1ccccc1Cl Clc1ccccc1[*:1] CN1C(=O)C(Sc2nnc(NC[C@H]3CCCO3)s2)=C2CCCC[C@@]21[*:1]
CN1C(=O)C(Sc2nnc(NC[C@H]3CCCO3)s2)=C2CCCC[C@@]21c1ccccc1Cl C1CO[C@H](C1)[*:1] CN1C(=O)C(Sc2nnc(NC[*:1])s2)=C2CCCC[C@@]21c1ccccc1Cl
CN1C(=O)C(Sc2nnc(NC[C@H]3CCCO3)s2)=C2CCCC[C@@]21c1ccccc1Cl C1CO[C@H](C1)CN[*:1] CN1C(=O)C(Sc2nnc(s2)[*:1])=C2CCCC[C@@]21c1ccccc1Cl
COc1ccc([C@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2c2nccs2)cc1 COc1ccc(cc1)[*:1] O=C([C@H]1C[C@@H]1[*:1])N1CCCC[C@@H]1c1nccs1
COc1ccc([C@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2c2nccs2)cc1 c1csc(n1)[*:1] COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)N1CCCC[C@H]1[*:1]
COc1ccc(NC(=O)CN(C)c2nc(-c3cccs3)nc3ccccc23)cc1 COc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])c1nc(nc2ccccc12)-c1cccs1
COc1ccc(NC(=O)CN(C)c2nc(-c3cccs3)nc3ccccc23)cc1 c1csc(c1)[*:1] COc1ccc(cc1)NC(=O)CN(C)c1nc(nc2ccccc12)[*:1]
COc1cccc(-c2nnc(NC(=O)C3CC3)o2)c1 O=C(N[*:1])C1CC1 COc1cccc(c1)-c1nnc(o1)[*:1]
COc1cccc(-c2nnc(NC(=O)C3CC3)o2)c1 C1CC1[*:1] COc1cccc(c1)-c1nnc(NC(=O)[*:1])o1
COc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1N1CCCC1=O Clc1cc(Br)ccc1[*:1] COc1ccc(cc1N1CCCC1=O)NC(=O)[*:1]
COc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1N1CCCC1=O O=C1CCCN1[*:1] COc1ccc(cc1[*:1])NC(=O)c1ccc(Br)cc1Cl
CCc1c(C#N)c(=O)[nH]c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] CCc1c(C#N)c(=O)[nH]c(=O)n1[*:1]
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 O=[N+]([O-])[*:1] O=C(Cn1cc(ccc1=O)[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
C=CC[NH+](CC=C)CC(=O)Nc1cc(F)ccc1F C=CC[*:1] C=CC[NH+](CC(=O)Nc1cc(F)ccc1F)[*:1]
C[NH+](C)[C@@H](CNC(=O)NCc1cn2ccccc2n1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)NCc1cn2ccccc2n1)[*:1]
COc1ccc(-c2csc(NC(=O)[C@H](C)N3CCO[C@@H](C)C3)n2)cc1 COc1ccc(cc1)[*:1] C[C@H]1CN(CCO1)[C@@H](C)C(=O)Nc1nc(cs1)[*:1]
COc1ccc(-c2csc(NC(=O)[C@H](C)N3CCO[C@@H](C)C3)n2)cc1 C[C@H]1CN(CCO1)[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)[C@H](C)[*:1]
CCc1ccsc1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 CCc1ccsc1[*:1] C[C@@H]1CN(CCCNC(=O)[*:1])C[C@@H](C)O1
C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 c1csc(c1)[*:1] C[C@H](Sc1nc(nc2ccccc12)[*:1])C(=O)NCc1ccc2OCOc2c1
C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](Sc1nc(nc2ccccc12)-c1cccs1)C(=O)NC[*:1]
C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] C[C@H](Sc1nc(nc2ccccc12)-c1cccs1)C(=O)N[*:1]
COc1cccc([C@@H](CO)NC(=O)N[C@@H](C)c2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)N[C@@H](C)[*:1]
COc1cccc([C@@H](CO)NC(=O)N[C@@H](C)c2ccccc2Cl)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)N[C@H](CO)[*:1])c1ccccc1Cl
CC(C)CCC(=O)NCC(=O)N1CCC[C@H](C(=O)N(C)C)C1 CN(C)C(=O)[*:1] CC(C)CCC(=O)NCC(=O)N1CCC[C@H](C1)[*:1]
CC(C)CCC(=O)NCC(=O)N1CCC[C@H](C(=O)N(C)C)C1 CC(C)C[*:1] CN(C)C(=O)[C@H]1CCCN(C1)C(=O)CNC(=O)C[*:1]
CC(C)CCC(=O)NCC(=O)N1CCC[C@H](C(=O)N(C)C)C1 CC(C)CC[*:1] CN(C)C(=O)[C@H]1CCCN(C1)C(=O)CNC(=O)[*:1]
CC(C)CCC(=O)NCC(=O)N1CCC[C@H](C(=O)N(C)C)C1 CC(C)[*:1] CN(C)C(=O)[C@H]1CCCN(C1)C(=O)CNC(=O)CC[*:1]
CCn1c(CC2CC[NH+](Cc3cn[nH]c3C(=O)[O-])CC2)nn(C)c1=O O=C([O-])c1[nH]ncc1[*:1] CCn1c(CC2CC[NH+](CC2)C[*:1])nn(C)c1=O
CCn1c(CC2CC[NH+](Cc3cn[nH]c3C(=O)[O-])CC2)nn(C)c1=O O=C([O-])[*:1] CCn1c(CC2CC[NH+](CC2)Cc2cn[nH]c2[*:1])nn(C)c1=O
COC(C)(C)C[C@@H](C)NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] COC(C)(C)C[C@@H](C)NC(=O)Nc1ccc(C)c(c1)[*:1]
COC(C)(C)C[C@@H](C)NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 COC(C)(C)C[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[C@H](C)[*:1]
COC(C)(C)C[C@@H](C)NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 COC(C)(C)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[C@H](C)C[*:1]
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)[C@@H]1CCCn2ccnc21 C[S@@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)[C@@H]1CCCn2ccnc21
Cc1ccsc1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C Cc1ccsc1[*:1] CC(C)C[C@H](NC(=O)[*:1])C(=O)N(C)C
Cc1ccsc1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C CC(C)C[*:1] Cc1ccsc1C(=O)N[C@@H](C(=O)N(C)C)[*:1]
Cc1ccsc1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C CC(C)[*:1] Cc1ccsc1C(=O)N[C@@H](C[*:1])C(=O)N(C)C
Cc1ccsc1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccsc1C(=O)N[C@@H](CC(C)C)[*:1]
C[C@@H](CCCO)NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 OCC[*:1] C[C@@H](C[*:1])NC(=O)N[C@H](C)c1nc(no1)-c1cccc(F)c1
C[C@@H](CCCO)NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] C[C@@H](CCCO)NC(=O)N[C@H](C)c1nc(no1)[*:1]
C[C@@H](CCCO)NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 OCCC[*:1] C[C@@H](NC(=O)N[C@H](C)c1nc(no1)-c1cccc(F)c1)[*:1]
C[C@@H](CCCO)NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 C[C@@H](CCCO)[*:1] C[C@@H](NC(=O)N[*:1])c1nc(no1)-c1cccc(F)c1
CCC[C@H](Cc1ccc2nccnc2n1)[NH2+]C CCC[*:1] C[NH2+][C@@H](Cc1ccc2nccnc2n1)[*:1]
CC(C)C[NH2+]Cc1cncc(N(C)c2ccccc2F)n1 Fc1ccccc1[*:1] CC(C)C[NH2+]Cc1cncc(n1)N(C)[*:1]
CC(C)C[NH2+]Cc1cncc(N(C)c2ccccc2F)n1 CC(C)[*:1] CN(c1cncc(C[NH2+]C[*:1])n1)c1ccccc1F
CC(C)C[NH2+]Cc1cncc(N(C)c2ccccc2F)n1 CC(C)C[*:1] CN(c1cncc(C[NH2+][*:1])n1)c1ccccc1F
C[C@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[*:1]
C[C@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccco1 C[C@H](c1ccco1)[*:1] O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N[*:1]
CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NCCOC)C12CCCCC2 COCCNC(=O)[*:1] CC[C@H](C)N1C(=O)c2ccccc2[C@H](C12CCCCC2)[*:1]
CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NCCOC)C12CCCCC2 COCC[*:1] CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)N[*:1])C12CCCCC2
CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NCCOC)C12CCCCC2 COC[*:1] CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NC[*:1])C12CCCCC2
CC[C@H](CC[NH3+])CCc1nc(-c2ncc[nH]2)no1 c1c[nH]c(n1)[*:1] CC[C@H](CC[NH3+])CCc1nc(no1)[*:1]
CC[C@H](CC[NH3+])CCc1nc(-c2ncc[nH]2)no1 [NH3+]CC[*:1] CC[C@H](CCc1nc(no1)-c1ncc[nH]1)[*:1]
CCC(CC)C(=O)Nc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCC(CC)C(=O)Nc1ccc(cc1)[*:1]
CCC(CC)C(=O)Nc1ccc(S(C)(=O)=O)cc1 CCC(CC)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N[C@H]1CCS(=O)(=O)C1 Fc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)O[*:1])N[C@H]1CCS(=O)(=O)C1
O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N[C@H]1CCS(=O)(=O)C1 Fc1cccc(c1)O[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H]1CCS(=O)(=O)C1
C[C@H](NC(=O)c1cc(F)ccc1O)[C@H](C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](NC(=O)c1cc(F)ccc1O)[C@H](C)[*:1]
C[C@H](CC(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1)n1cncn1 c1ncn(n1)[*:1] C[C@H](CC(=O)N1CCC(CC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[*:1]
COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)NCC(N)=O)c1 NC(=O)CNC(=O)C[*:1] COc1cccc(c1)-c1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1[*:1]
COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)NCC(N)=O)c1 COc1cccc(c1)[*:1] NC(=O)CNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c([nH]c2ccccc12)[*:1]
COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)NCC(N)=O)c1 NC(=O)[*:1] COc1cccc(c1)-c1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)NC[*:1]
COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)NCC(N)=O)c1 NC(=O)C[*:1] COc1cccc(c1)-c1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)N[*:1]
COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)NCC(N)=O)c1 NC(=O)CNC(=O)[*:1] COc1cccc(c1)-c1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1C[*:1]
N#CC(C#N)=CNc1cccc(CS(=O)(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] N#CC(C#N)=CNc1cccc(c1)CS(=O)(=O)[*:1]
N#CC(C#N)=CNc1cccc(CS(=O)(=O)C2CCCCC2)c1 N#CC(C#N)=C[*:1] O=S(=O)(Cc1cccc(c1)N[*:1])C1CCCCC1
N#CC(C#N)=CNc1cccc(CS(=O)(=O)C2CCCCC2)c1 N#CC(C#N)=CN[*:1] O=S(=O)(Cc1cccc(c1)[*:1])C1CCCCC1
COc1ccc(C(=O)[C@H]2CCCN(c3cc(OC)nc(N)n3)C2)c(OC)c1 COc1cc(nc(N)n1)[*:1] COc1ccc(C(=O)[C@H]2CCCN(C2)[*:1])c(c1)OC
Cc1nn(C)c2c1nc(CCl)n2CCc1ccccn1 c1ccc(nc1)[*:1] Cc1nn(C)c2c1nc(CCl)n2CC[*:1]
CC[NH2+]C[C@H](Cc1ccc(O)cc1)Cc1ccccc1Cl Clc1ccccc1[*:1] CC[NH2+]C[C@H](Cc1ccc(O)cc1)C[*:1]
CC[NH2+]C[C@H](Cc1ccc(O)cc1)Cc1ccccc1Cl Oc1ccc(cc1)[*:1] CC[NH2+]C[C@@H](Cc1ccccc1Cl)C[*:1]
Cc1nc(N)ncc1C(=O)N1CCC[C@](C)(C(=O)NC2CCCC2)C1 Cc1nc(N)ncc1[*:1] C[C@@]1(CCCN(C1)C(=O)[*:1])C(=O)NC1CCCC1
Cc1nc(N)ncc1C(=O)N1CCC[C@](C)(C(=O)NC2CCCC2)C1 O=C(NC1CCCC1)[*:1] Cc1nc(N)ncc1C(=O)N1CCC[C@](C)(C1)[*:1]
Cc1nc(N)ncc1C(=O)N1CCC[C@](C)(C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] Cc1nc(N)ncc1C(=O)N1CCC[C@@](C)(C1)C(=O)N[*:1]
O=C(CSc1nnnn1-c1ccccc1)Nc1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])Nc1ccc2OCCOc2c1
O=c1c2ccccc2nc(SCCOc2cccc(Cl)c2)n1-c1cccnc1 Clc1cccc(c1)[*:1] O=c1c2ccccc2nc(SCCO[*:1])n1-c1cccnc1
O=c1c2ccccc2nc(SCCOc2cccc(Cl)c2)n1-c1cccnc1 Clc1cccc(c1)O[*:1] O=c1c2ccccc2nc(SCC[*:1])n1-c1cccnc1
O=c1c2ccccc2nc(SCCOc2cccc(Cl)c2)n1-c1cccnc1 c1cncc(c1)[*:1] O=c1c2ccccc2nc(SCCOc2cccc(Cl)c2)n1[*:1]
O=c1c2ccccc2nc(SCCOc2cccc(Cl)c2)n1-c1cccnc1 Clc1cccc(c1)OC[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1cccnc1
COc1ccccc1C1(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)CC1 C1CC1[*:1] COc1ccccc1C1(CC1)C(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
COc1ccccc1C1(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)CC1 COc1ccccc1[*:1] O=C(C1CC1)N1CCc2ccc(cc21)NC(=O)C1(CC1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 C[C@@H](C1CC1)[*:1] CN(C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C)C(=O)N[C@@H](c1cc(F)ccc1F)[*:1]
C[C@@H](C1CC1)N(C)C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 C1CC1[*:1] C[C@@H](N(C)C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1)[*:1]
Cc1cc(C(=O)N(Cc2ccco2)c2nc3ccc(Br)cc3s2)no1 c1coc(c1)C[*:1] Cc1cc(no1)C(=O)N(c1nc2ccc(Br)cc2s1)[*:1]
Cc1cc(C(=O)N(Cc2ccco2)c2nc3ccc(Br)cc3s2)no1 c1coc(c1)[*:1] Cc1cc(no1)C(=O)N(C[*:1])c1nc2ccc(Br)cc2s1
Cc1cc(C(=O)N(Cc2ccco2)c2nc3ccc(Br)cc3s2)no1 Cc1cc(no1)[*:1] O=C(N(Cc1ccco1)c1nc2ccc(Br)cc2s1)[*:1]
NC(=O)c1cncc(N2CCC[C@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)n1 NC(=O)[*:1] c1ccc(cc1)-c1c[nH]c([nH+]1)[C@H]1CCCN(C1)c1cncc(n1)[*:1]
NC(=O)c1cncc(N2CCC[C@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)n1 c1ccc(cc1)[*:1] NC(=O)c1cncc(n1)N1CCC[C@@H](C1)c1[nH]cc([nH+]1)[*:1]
C[C@](CO)(NC(=O)Nc1ccccc1-c1ccccc1)C1CC1 c1ccc(cc1)[*:1] C[C@](CO)(NC(=O)Nc1ccccc1[*:1])C1CC1
C[C@](CO)(NC(=O)Nc1ccccc1-c1ccccc1)C1CC1 C1CC1[*:1] C[C@](CO)(NC(=O)Nc1ccccc1-c1ccccc1)[*:1]
CCC(=O)OC[C@H](O)CN1CCOCC1 CCC(=O)O[*:1] O[C@H](CN1CCOCC1)C[*:1]
C/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 CC=C(C)[*:1] O=C([C@@H]1CSCN1C(=O)[*:1])N1CCCC1
O=c1c2ccccc2n2cnnc2n1Cc1ccco1 c1coc(c1)C[*:1] O=c1c2ccccc2n2cnnc2n1[*:1]
O=c1c2ccccc2n2cnnc2n1Cc1ccco1 c1coc(c1)[*:1] O=c1c2ccccc2n2cnnc2n1C[*:1]
CO[C@@H](C)c1noc(CCCCC[NH3+])n1 [NH3+]CCC[*:1] CO[C@@H](C)c1noc(CC[*:1])n1
CO[C@@H](C)c1noc(CCCCC[NH3+])n1 [NH3+]CCCC[*:1] CO[C@@H](C)c1noc(C[*:1])n1
CO[C@@H](C)c1noc(CCCCC[NH3+])n1 CO[C@@H](C)[*:1] [NH3+]CCCCCc1nc(no1)[*:1]
CO[C@@H](C)c1noc(CCCCC[NH3+])n1 [NH3+]CC[*:1] CO[C@@H](C)c1noc(CCC[*:1])n1
CCOC[C@H]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)C1 CCO[*:1] O=C(NCCc1nc(cs1)C(F)(F)F)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)C1 CCOC[*:1] O=C(NCCc1nc(cs1)C(F)(F)F)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)C1 FC(F)(F)[*:1] CCOC[C@H]1CCN(C1)C(=O)NCCc1nc(cs1)[*:1]
C=CCSc1nnc2c(n1)[nH]c1c(C)cccc12 C=CCS[*:1] Cc1cccc2c1[nH]c1nc(nnc12)[*:1]
C=CCSc1nnc2c(n1)[nH]c1c(C)cccc12 C=CC[*:1] Cc1cccc2c1[nH]c1nc(nnc12)S[*:1]
Cc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)n1 O=[N+]([O-])[*:1] Cc1cccc(C[NH2+]Cc2ccc(c(F)c2)[*:1])n1
O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1C[C@@]12CCCc1ccccc12 C1CC1[*:1] O=C(OC[C@@H]1CC(=O)N(C1)[*:1])[C@H]1C[C@@]12CCCc1ccccc12
CC[C@H](C)CN(CC)C(=O)NC[C@@](C)(O)C(=O)[O-] CC[C@H](C)[*:1] CCN(C[*:1])C(=O)NC[C@@](C)(O)C(=O)[O-]
CC[C@H](C)CN(CC)C(=O)NC[C@@](C)(O)C(=O)[O-] CC[C@H](C)C[*:1] CCN(C(=O)NC[C@@](C)(O)C(=O)[O-])[*:1]
CC[C@H](C)CN(CC)C(=O)NC[C@@](C)(O)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)CN(CC)C(=O)NC[C@@](C)(O)[*:1]
CCOC(=O)CNC(=O)c1ccc(C#N)c(C)n1 CCOC(=O)[*:1] Cc1nc(ccc1C#N)C(=O)NC[*:1]
CCOC(=O)CNC(=O)c1ccc(C#N)c(C)n1 CCOC(=O)C[*:1] Cc1nc(ccc1C#N)C(=O)N[*:1]
C[C@@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@@H]1CCCN(C1)C(=O)c1nn(C)cc1[*:1]
Cc1nnc2ccc(N[C@@H](C)[C@@H](OC3CCOCC3)c3ccccc3)nn12 C1CC(CCO1)[*:1] Cc1nnc2ccc(nn12)N[C@@H](C)[C@@H](O[*:1])c1ccccc1
Cc1nnc2ccc(N[C@@H](C)[C@@H](OC3CCOCC3)c3ccccc3)nn12 C1CC(CCO1)O[*:1] Cc1nnc2ccc(nn12)N[C@@H](C)[C@@H](c1ccccc1)[*:1]
Cc1nnc2ccc(N[C@@H](C)[C@@H](OC3CCOCC3)c3ccccc3)nn12 c1ccc(cc1)[*:1] Cc1nnc2ccc(nn12)N[C@@H](C)[C@@H](OC1CCOCC1)[*:1]
CCOc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)CC)cc1 CCOc1ccc(cc1)[*:1] CCC(=O)N1CCc2cc(ccc21)CNC(=O)N[*:1]
CCOc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)CC)cc1 CCO[*:1] CCC(=O)N1CCc2cc(ccc21)CNC(=O)Nc1ccc(cc1)[*:1]
Cc1noc(C)c1CSCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 Cc1noc(C)c1C[*:1] O=C(CS[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
Cc1noc(C)c1CSCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 Cc1noc(C)c1[*:1] O=C(CSC[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)c2ccccc2F)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccccc1F)N1CCc2ccccc2[C@H]1[*:1]
Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)[C@@H]1c2ccccc2CCN1C(=O)[*:1]
CC(=O)c1cccc(-n2nc(C)nc2C)c1 CC(=O)[*:1] Cc1nc(C)n(n1)-c1cccc(c1)[*:1]
CC[C@H](Sc1c([O-])on[n+]1-c1ccc(OC)cc1)C(=O)Nc1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CC[C@H](Sc1c([O-])on[n+]1-c1ccc(cc1)OC)C(=O)N[*:1]
CC[C@H](Sc1c([O-])on[n+]1-c1ccc(OC)cc1)C(=O)Nc1ccc(C)c(C)c1 COc1ccc(cc1)[*:1] CC[C@H](Sc1c([O-])on[n+]1[*:1])C(=O)Nc1ccc(C)c(C)c1
CC[C@H](C)NC(=O)N1CC[C@@H]([N+]2=CCCC2)C1 CC[C@H](C)[*:1] O=C(N[*:1])N1CC[C@H](C1)[N+]1=CCCC1
COC(=O)Nc1cccc(C(=O)NCc2ccc(C)cc2N(C)C)c1 CN(C)[*:1] COC(=O)Nc1cccc(c1)C(=O)NCc1ccc(C)cc1[*:1]
COC(=O)Nc1cccc(C(=O)NCc2ccc(C)cc2N(C)C)c1 COC(=O)N[*:1] Cc1ccc(CNC(=O)c2cccc(c2)[*:1])c(c1)N(C)C
COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1OC)[*:1]
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H]2CCCO2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1oc2ccccc2c1NC(=O)[C@H]1CCCO1
COC(=O)c1cc(Br)cc(OCc2ncoc2C(C)C)c1 COC(=O)[*:1] CC(C)c1ocnc1COc1cc(Br)cc(c1)[*:1]
COC(=O)c1cc(Br)cc(OCc2ncoc2C(C)C)c1 CC(C)[*:1] COC(=O)c1cc(Br)cc(c1)OCc1ncoc1[*:1]
Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N[C@H](C)C(=O)[O-] FC(F)(F)O[*:1] Cc1nc(sc1C(=O)N[C@H](C)C(=O)[O-])-c1ccc(cc1)[*:1]
Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N[C@H](C)C(=O)[O-] FC(F)(F)[*:1] Cc1nc(sc1C(=O)N[C@H](C)C(=O)[O-])-c1ccc(cc1)O[*:1]
Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N[C@H](C)C(=O)[O-] O=C([O-])[*:1] Cc1nc(sc1C(=O)N[C@H](C)[*:1])-c1ccc(cc1)OC(F)(F)F
CN(C)C(=O)c1ccc(F)c(NC(=O)NCC(C)(C)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)NCC(C)(C)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)NCC(C)(C)Cc2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)NCC(C)(C)C[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)NCC(C)(C)Cc2ccccc2)c1 CN(C)C(=O)[*:1] CC(C)(CNC(=O)Nc1cc(ccc1F)[*:1])Cc1ccccc1
COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 COCC[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(Br)cc3)c21)C(=O)NC[*:1]
COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 COC[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(Br)cc3)c21)C(=O)NCC[*:1]
COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 COCCC[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(Br)cc3)c21)C(=O)N[*:1]
COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 Brc1ccc(cc1)[*:1] COCCCNC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 COCCCNC(=O)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(Br)cc3)c21)[*:1]
COc1ccc(C(=O)CCC(=O)Nc2ccc(OC)cc2Cl)cc1 COc1ccc(cc1)[*:1] COc1ccc(NC(=O)CCC(=O)[*:1])c(Cl)c1
CS(=O)(=O)N1CCc2cc(C(=O)N[C@H](CC(N)=O)C3CC3)ccc21 NC(=O)C[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)N[C@H](C1CC1)[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)N[C@H](CC(N)=O)C3CC3)ccc21 C1CC1[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)N[C@H](CC(N)=O)[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)N[C@H](CC(N)=O)C3CC3)ccc21 NC(=O)[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)N[C@H](C[*:1])C1CC1
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1cc(C(C)C)n(C)n1 O=C(N1CCCC1)[*:1] Cc1cccc(c1NC(=O)c1cc(C(C)C)n(C)n1)[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1cc(C(C)C)n(C)n1 CC(C)[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1cc(n(C)n1)[*:1]
O=c1onc(-c2ccccn2)n1Cc1nnc(-c2ccccc2F)o1 c1ccc(nc1)[*:1] O=c1onc(n1Cc1nnc(o1)-c1ccccc1F)[*:1]
O=c1onc(-c2ccccn2)n1Cc1nnc(-c2ccccc2F)o1 Fc1ccccc1[*:1] O=c1onc(-c2ccccn2)n1Cc1nnc(o1)[*:1]
Cc1cc(F)ccc1Nc1nc(-c2ccccc2)cc2n[nH]c(=O)n12 c1ccc(cc1)[*:1] Cc1cc(F)ccc1Nc1nc(cc2n[nH]c(=O)n12)[*:1]
Cc1cc(F)ccc1Nc1nc(-c2ccccc2)cc2n[nH]c(=O)n12 Cc1cc(F)ccc1[*:1] O=c1[nH]nc2cc(nc(N[*:1])n12)-c1ccccc1
Cc1nnnn1-c1ccc(C(=O)NCc2ccc(F)cc2)cc1 Cc1nnnn1[*:1] O=C(NCc1ccc(F)cc1)c1ccc(cc1)[*:1]
Cc1nnnn1-c1ccc(C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1nnnn1-c1ccc(cc1)C(=O)NC[*:1]
COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C#N)cc2)ccc1C N#Cc1ccc(cc1)[*:1] COC(=O)c1cc(ccc1C)S(=O)(=O)N(C)C[*:1]
COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C#N)cc2)ccc1C COC(=O)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N(C)Cc1ccc(C#N)cc1
CCn1ncc2ccc(NC(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)cc21 CC(C)=C[*:1] CCn1ncc2ccc(cc21)NC(=O)[C@@H]1[C@H](C1(C)C)[*:1]
C[C@@H](SC1=NCCN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](SC1=NCCN1S(=O)(=O)c1ccc(F)cc1)[*:1]
C[C@@H](SC1=NCCN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCN=C1S[*:1]
C[C@@H](SC1=NCCN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] C[C@@H](SC1=NCCN1S(=O)(=O)[*:1])c1ccccc1
C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccccc1[*:1]
C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] C1CCC(C1)[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)Nc1ccccc1[N+](=O)[O-]
Clc1cc(Br)ccc1C1CC1 C1CC1[*:1] Clc1cc(Br)ccc1[*:1]
CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NCCO)CS2 OCC[*:1] CCc1c(C)nc2SC[C@H](Cn2c1=O)C(=O)N[*:1]
CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NCCO)CS2 O=C(NCCO)[*:1] CCc1c(C)nc2SC[C@@H](Cn2c1=O)[*:1]
Cc1ccc(OCc2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nnc(CO[*:1])s1)c1ccc(Br)cc1
Cc1ccc(OCc2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)OCc1nnc(NC(=O)[*:1])s1
Cc1ccc(OCc2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 Cc1ccc(cc1)O[*:1] O=C(Nc1nnc(C[*:1])s1)c1ccc(Br)cc1
C[C@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)[*:1]
C[C@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(COC(=O)Cn1cnc2ccccc2c1=O)N[*:1]
CCC[NH+]1CCN([C@@H]2CCc3c(sc4ncn(CCc5ccccc5Cl)c(=O)c34)C2)CC1 Clc1ccccc1[*:1] CCC[NH+]1CCN(CC1)[C@@H]1CCc2c(C1)sc1ncn(CC[*:1])c(=O)c21
CCC[NH+]1CCN([C@@H]2CCc3c(sc4ncn(CCc5ccccc5Cl)c(=O)c34)C2)CC1 Clc1ccccc1C[*:1] CCC[NH+]1CCN(CC1)[C@@H]1CCc2c(C1)sc1ncn(C[*:1])c(=O)c21
CCC[NH+]1CCN([C@@H]2CCc3c(sc4ncn(CCc5ccccc5Cl)c(=O)c34)C2)CC1 Clc1ccccc1CC[*:1] CCC[NH+]1CCN(CC1)[C@@H]1CCc2c(C1)sc1ncn(c(=O)c21)[*:1]
Cc1nnc(-c2cccc(C(=O)Nc3nn(-c4ccccc4Cl)cc3C)c2)o1 Cc1nnc(o1)[*:1] Cc1cn(nc1NC(=O)c1cccc(c1)[*:1])-c1ccccc1Cl
Cc1nnc(-c2cccc(C(=O)Nc3nn(-c4ccccc4Cl)cc3C)c2)o1 Clc1ccccc1[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)Nc1nn(cc1C)[*:1]
Cc1nc([C@@H]2CCCN2Cc2[nH+]ccn2C)no1 Cc1nc(no1)[*:1] Cn1cc[nH+]c1CN1CCC[C@H]1[*:1]
CN(Cc1ccno1)C(=O)c1cccc(CC2CC[NH2+]CC2)c1 c1cc(C[*:1])on1 CN(C(=O)c1cccc(c1)CC1CC[NH2+]CC1)[*:1]
CN(Cc1ccno1)C(=O)c1cccc(CC2CC[NH2+]CC2)c1 c1cc(on1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)CC1CC[NH2+]CC1
Cc1nsc(Nc2ccccc2C(C)C)c1C(=O)[O-] CC(C)[*:1] Cc1nsc(Nc2ccccc2[*:1])c1C(=O)[O-]
Cc1nsc(Nc2ccccc2C(C)C)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(Nc2ccccc2C(C)C)c1[*:1]
O=C(NCC(=O)N1CCCC1)c1cc(Cl)c2ccccc2c1O O=C(N1CCCC1)[*:1] O=C(NC[*:1])c1cc(Cl)c2ccccc2c1O
Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1cn(C)nc1C)C(C)C Cc1nn(C)cc1[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)[*:1])C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1cn(C)nc1C)C(C)C Cc1ccccc1[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H](NC(=O)[*:1])C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1cn(C)nc1C)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1cn(C)nc1C)[*:1]
O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[NH+]1CCCCC1)[C@H](O)[*:1]
O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] O=C(NCC1(CCOCC1)[NH+]1CCCCC1)[*:1]
CCCCC[C@H](C)n1cc(C#N)c([O-])nc1=O CCC[*:1] C[C@@H](CC[*:1])n1cc(C#N)c([O-])nc1=O
CCCCC[C@H](C)n1cc(C#N)c([O-])nc1=O CCCCC[*:1] C[C@H](n1cc(C#N)c([O-])nc1=O)[*:1]
CCCCC[C@H](C)n1cc(C#N)c([O-])nc1=O CCCC[*:1] C[C@@H](C[*:1])n1cc(C#N)c([O-])nc1=O
N#Cc1cn(-c2cc([N+](=O)[O-])ccc2Cl)c(=O)nc1[O-] O=[N+]([O-])[*:1] N#Cc1cn(-c2cc(ccc2Cl)[*:1])c(=O)nc1[O-]
CSc1ccc(C(=O)NC[C@H]([NH3+])[C@H](C)O)cc1 C[C@H](O)[*:1] CSc1ccc(cc1)C(=O)NC[C@H]([NH3+])[*:1]
C[C@@H](Nc1ccc2[nH]ccc2c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H](Nc1ccc2[nH]ccc2c1)c1ccc(cc1)[*:1]
CCCn1nccc1NC(=O)c1cccc(CN2C[C@H](C)O[C@H](C)C2)c1 CCC[*:1] C[C@H]1CN(Cc2cccc(c2)C(=O)Nc2ccnn2[*:1])C[C@@H](C)O1
CCCn1nccc1NC(=O)c1cccc(CN2C[C@H](C)O[C@H](C)C2)c1 CCCn1nccc1[*:1] C[C@H]1CN(Cc2cccc(c2)C(=O)N[*:1])C[C@@H](C)O1
COCCCNC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2[C@H]1c1ccc(F)cc1 COCCC[*:1] O=C(N[*:1])N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2[C@H]1c1ccc(F)cc1
COCCCNC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCCCNC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2[C@@H]1[*:1]
COCCCNC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2[C@H]1c1ccc(F)cc1 COC[*:1] O=C(NCC[*:1])N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2[C@H]1c1ccc(F)cc1
COCCCNC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2[C@H]1c1ccc(F)cc1 COCC[*:1] O=C(NC[*:1])N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2[C@H]1c1ccc(F)cc1
CN(CCC#N)C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 O=C(C[*:1])N1CCCCC1 CN(CCC#N)C(=O)C(=O)c1cn(c2ccccc12)[*:1]
CN(CCC#N)C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 N#CCC[*:1] CN(C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)[*:1]
CN(CCC#N)C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 O=C(N1CCCCC1)[*:1] CN(CCC#N)C(=O)C(=O)c1cn(C[*:1])c2ccccc12
CN(CCC#N)C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 N#CC[*:1] CN(C[*:1])C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4ccccc4)ccc(=O)n2C3)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H](C1)c1c(ccc(=O)n1C2)NC(=O)[*:1]
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4ccccc4)ccc(=O)n2C3)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(=O)n2C[C@H]3C[C@H](CN(C3)C(=O)[*:1])c12)c1ccccc1
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4ccccc4)ccc(=O)n2C3)cc1 O=C(N[*:1])c1ccccc1 COc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H](C1)c1c(ccc(=O)n1C2)[*:1]
C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)N1CCc2ccc(cc2C1)[*:1])c1ccccc1
C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(N[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
C[C@@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCc2ccc(cc2C1)[N+](=O)[O-])[*:1]
O[C@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2cnc(C3CC3)s2)C1 C1CC1[*:1] O[C@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2cnc(s2)[*:1])C1
Fc1ccc(-n2cc(CNC[C@@H](c3ccco3)N3CCCC3)cn2)cc1 C1CCN(C1)[*:1] Fc1ccc(cc1)-n1cc(cn1)CNC[C@@H](c1ccco1)[*:1]
Fc1ccc(-n2cc(CNC[C@@H](c3ccco3)N3CCCC3)cn2)cc1 Fc1ccc(cc1)[*:1] c1coc(c1)[C@H](CNCc1cnn(c1)[*:1])N1CCCC1
Fc1ccc(-n2cc(CNC[C@@H](c3ccco3)N3CCCC3)cn2)cc1 c1coc(c1)[*:1] Fc1ccc(cc1)-n1cc(cn1)CNC[C@@H](N1CCCC1)[*:1]
Cc1cccc(C[S@@](=O)C[C@H](C)C(=O)[O-])n1 O=C([O-])[*:1] Cc1cccc(C[S@@](=O)C[C@H](C)[*:1])n1
CCOC(=O)c1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCCC2 O=[N+]([O-])c1cnn(c1)[*:1] CCOC(=O)c1c(NC(=O)[C@H](C)[*:1])sc2CCCCc21
CCOC(=O)c1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCCC2 O=[N+]([O-])[*:1] CCOC(=O)c1c(NC(=O)[C@H](C)n2cc(cn2)[*:1])sc2CCCCc21
CCOC(=O)c1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCCC2 CCOC(=O)[*:1] C[C@@H](C(=O)Nc1sc2CCCCc2c1[*:1])n1cc(cn1)[N+](=O)[O-]
COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)cc2)c1 COC(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1cc(ccc1N1CCN(CC1)Cc1ccccc1)[*:1]
COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)cc2)c1 c1ccc(cc1)[*:1] COC(=O)c1ccc(c(c1)NC(=O)c1ccc(C)cc1)N1CCN(CC1)C[*:1]
COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)C(=O)N[*:1] COC(=O)c1ccc(c(c1)[*:1])N1CCN(CC1)Cc1ccccc1
COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)cc2)c1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(c(c1)NC(=O)c1ccc(C)cc1)N1CCN(CC1)[*:1]
COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(c(c1)NC(=O)[*:1])N1CCN(CC1)Cc1ccccc1
O=C([C@@H](Nc1ccn(Cc2ccccn2)n1)c1ccccc1)N1CCCC1 c1ccc(nc1)[*:1] O=C([C@@H](Nc1ccn(C[*:1])n1)c1ccccc1)N1CCCC1
O=C([C@@H](Nc1ccn(Cc2ccccn2)n1)c1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] O=C([C@@H](Nc1ccn(Cc2ccccn2)n1)[*:1])N1CCCC1
O=C([C@@H](Nc1ccn(Cc2ccccn2)n1)c1ccccc1)N1CCCC1 c1ccc(C[*:1])nc1 O=C([C@@H](Nc1ccn(n1)[*:1])c1ccccc1)N1CCCC1
O=C([C@@H](Nc1ccn(Cc2ccccn2)n1)c1ccccc1)N1CCCC1 O=C(N1CCCC1)[*:1] c1ccc(cc1)[C@H](Nc1ccn(Cc2ccccn2)n1)[*:1]
CC(C)(C)C(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 CC(C)(C)C(=O)N[*:1] O=C(CSc1nnc(s1)[*:1])Nc1ccc2OCOc2c1
CC(C)(C)C(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 CC(C)(C)[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)Nc1ccc2OCOc2c1
COc1cc(Nc2ncnc3ccc(C)cc23)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])Nc1ncnc2ccc(C)cc12
O=C(NCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cccs1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCN(CC1)C(=O)[*:1])c1cccs1
O=C(NCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cccs1 c1csc(c1)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)C(=O)c1ccccc1
O=C(NCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(C[*:1])N1CCN(CC1)C(=O)c1ccccc1
Cc1cc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)n(CCC(C)C)c(=O)c2[nH]1 CC(C)CC[*:1] Cc1cc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)n(c(=O)c2[nH]1)[*:1]
Cc1cc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)n(CCC(C)C)c(=O)c2[nH]1 c1ccc2c(c1)CC[C@H]2[*:1] Cc1cc2nc(SCC(=O)N[*:1])n(CCC(C)C)c(=O)c2[nH]1
Cc1cc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)n(CCC(C)C)c(=O)c2[nH]1 CC(C)C[*:1] Cc1cc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)n(C[*:1])c(=O)c2[nH]1
Cc1cc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)n(CCC(C)C)c(=O)c2[nH]1 CC(C)[*:1] Cc1cc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)n(CC[*:1])c(=O)c2[nH]1
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 O=C([O-])[*:1] CC1(C)[C@@H](C(=O)Nc2ccc(cc2)N2CCCCS2(=O)=O)[C@H]1[*:1]
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 O=S1(=O)CCCCN1[*:1] CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2CCCO2)c(C)c1Br C1CO[C@@H](C1)[*:1] Cc1nn(CCC(=O)N[C@@H](C)[*:1])c(C)c1Br
CSC[C@H](C)C(=O)N(CC1CC1)c1ccccc1 C1CC1[*:1] CSC[C@H](C)C(=O)N(C[*:1])c1ccccc1
CSC[C@H](C)C(=O)N(CC1CC1)c1ccccc1 c1ccc(cc1)[*:1] CSC[C@H](C)C(=O)N(CC1CC1)[*:1]
CSC[C@H](C)C(=O)N(CC1CC1)c1ccccc1 CSC[*:1] C[C@H](C(=O)N(CC1CC1)c1ccccc1)[*:1]
CSC[C@H](C)C(=O)N(CC1CC1)c1ccccc1 C1CC1C[*:1] CSC[C@H](C)C(=O)N(c1ccccc1)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2cc(C)ccc2OC)c1 CNC(=O)[*:1] COc1ccc(C)cc1/C=C/C(=O)Nc1cc(ccc1Cl)[*:1]
NNC(=O)c1cc(Br)ccc1NCCOc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] NNC(=O)c1cc(Br)ccc1NCCO[*:1]
NNC(=O)c1cc(Br)ccc1NCCOc1ccc(Cl)cc1 NNC(=O)[*:1] Clc1ccc(cc1)OCCNc1ccc(Br)cc1[*:1]
O=C([O-])[C@H]1CC[C@@H](CNC(=O)N2CCO[C@@H]3CCC[C@H]32)O1 O=C([O-])[*:1] O=C(NC[C@@H]1CC[C@@H](O1)[*:1])N1CCO[C@@H]2CCC[C@H]21
Cc1nsnc1COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 Cc1nsnc1C[*:1] O=C(Nc1cccc(Cl)c1)c1ccc(cc1)O[*:1]
Cc1nsnc1COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 Cc1nsnc1CO[*:1] O=C(Nc1cccc(Cl)c1)c1ccc(cc1)[*:1]
Cc1nsnc1COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 Cc1nsnc1[*:1] O=C(Nc1cccc(Cl)c1)c1ccc(cc1)OC[*:1]
Cc1nsnc1COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] Cc1nsnc1COc1ccc(cc1)C(=O)N[*:1]
C#CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1 C#CC[*:1] O=C(Nc1ccccc1Cl)c1ccc(cc1)O[*:1]
C#CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1 C#CCO[*:1] O=C(Nc1ccccc1Cl)c1ccc(cc1)[*:1]
C[C@H]1C[C@H](C)CN(C(=O)C2CCN(C(=O)c3ccccc3F)CC2)C1 Fc1ccccc1[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)C1CCN(CC1)C(=O)[*:1]
Nc1nc(CSc2nnnn2-c2ccc(O)cc2)nc2ccccc12 Oc1ccc(cc1)[*:1] Nc1nc(CSc2nnnn2[*:1])nc2ccccc12
C[C@H](NCC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1F Fc1ccccc1[*:1] C[C@H](NCC(=O)N1CCN(CC1)S(C)(=O)=O)[*:1]
COc1cccc(N2C[C@@H](C(=O)NCC[NH3+])CC2=O)c1 [NH3+]CC[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)N[*:1]
COc1cccc(N2C[C@@H](C(=O)NCC[NH3+])CC2=O)c1 [NH3+]CCNC(=O)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)[*:1]
CC[C@H](C)NC(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1 CC[C@H](C)[*:1] COc1cc(cc(c1)OC)CN1CCN(CC1)C(=O)N[*:1]
COc1ccccc1C[C@H]1CCCN1C(=O)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] COc1ccccc1C[C@H]1CCCN1C(=O)c1cnc(s1)[*:1]
COc1ccccc1C[C@H]1CCCN1C(=O)c1cnc([C@H]2CCCO2)s1 COc1ccccc1[*:1] O=C(c1cnc(s1)[C@H]1CCCO1)N1CCC[C@@H]1C[*:1]
NC(=O)COc1ccc(NC(=O)c2ccco2)cc1 NC(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccco1
NC(=O)COc1ccc(NC(=O)c2ccco2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1ccco1
NC(=O)COc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] NC(=O)COc1ccc(cc1)NC(=O)[*:1]
NC(=O)COc1ccc(NC(=O)c2ccco2)cc1 NC(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccco1
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccncc1 CC(C)[*:1] C[C@@H](NC(=O)[C@H](Oc1cccc(Cl)c1)[*:1])c1ccncc1
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)[*:1]
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccncc1 Clc1cccc(c1)[*:1] CC(C)[C@@H](O[*:1])C(=O)N[C@H](C)c1ccncc1
CCC[C@H]1CN(C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)CCO1 CCC[*:1] Cc1nc(nn1-c1ccccc1C(C)C)C(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)CCO1 CC(C)[*:1] CCC[C@H]1CN(CCO1)C(=O)c1nc(C)n(n1)-c1ccccc1[*:1]
CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1C CS(=O)(=O)N[*:1] CCn1nc(C)c(c1C)[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1[*:1]
CNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)S(=O)(=O)N1CCCCCC1
CC(C)[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1ccsc1 Fc1ccc(cc1F)[*:1] CC(C)[C@H](Cn1nc(ccc1=O)[*:1])NC(=O)Cc1ccsc1
CC(C)[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1ccsc1 c1cc(cs1)[*:1] CC(C)[C@H](Cn1nc(ccc1=O)-c1ccc(F)c(F)c1)NC(=O)C[*:1]
CC(C)[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1ccsc1 c1cc(cs1)C[*:1] CC(C)[C@H](Cn1nc(ccc1=O)-c1ccc(F)c(F)c1)NC(=O)[*:1]
CC(C)[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1ccsc1 CC(C)[*:1] O=C(Cc1ccsc1)N[C@@H](Cn1nc(ccc1=O)-c1ccc(F)c(F)c1)[*:1]
CC(C)[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1ccsc1 O=C(Cc1ccsc1)N[*:1] CC(C)[C@H](Cn1nc(ccc1=O)-c1ccc(F)c(F)c1)[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)OCc2cccc(C#N)c2)CC1 CC(C)(C)[*:1] N#Cc1cccc(c1)COC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)OCc2cccc(C#N)c2)CC1 N#Cc1cccc(c1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)OC[*:1]
Cn1c(=O)c2c(nc(N3CCCC3)n2CC(=O)c2ccccc2)n(C)c1=O C1CCN(C1)[*:1] Cn1c(=O)c2c(nc(n2CC(=O)c2ccccc2)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCCC3)n2CC(=O)c2ccccc2)n(C)c1=O O=C(c1ccccc1)[*:1] Cn1c(=O)c2c(nc(N3CCCC3)n2C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCCC3)n2CC(=O)c2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(N3CCCC3)n2CC(=O)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCCC3)n2CC(=O)c2ccccc2)n(C)c1=O O=C(C[*:1])c1ccccc1 Cn1c(=O)c2c(nc(N3CCCC3)n2[*:1])n(C)c1=O
O=C(CC1(O)CCCCC1)N1CCc2ccccc2CC1 OC1(CCCCC1)[*:1] O=C(C[*:1])N1CCc2ccccc2CC1
O=C(NCc1nc(-c2cccs2)n[nH]1)c1cc2cccc(Cl)c2o1 c1csc(c1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])c1cc2cccc(Cl)c2o1
O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@@H]1[*:1]
Cc1nc(C2CCN(C(=O)N[C@H](C)c3ncc(C)s3)CC2)no1 Cc1cnc(s1)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@H](C)[*:1]
Cc1nc(C2CCN(C(=O)N[C@H](C)c3ncc(C)s3)CC2)no1 Cc1nc(no1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N1CCC(CC1)[*:1]
O=C1NC(=O)c2ccccc2/C1=C\c1cccc(NC(=O)C(F)(F)F)c1 FC(F)(F)[*:1] O=C1NC(=O)c2ccccc2/C1=C\c1cccc(c1)NC(=O)[*:1]
O=C1NC(=O)c2ccccc2/C1=C\c1cccc(NC(=O)C(F)(F)F)c1 O=C(N[*:1])C(F)(F)F O=C1NC(=O)c2ccccc2/C1=C\c1cccc(c1)[*:1]
COc1ccc(/C=C/C(=O)N(C)[C@H](C)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(/C=C/C(=O)N(C)[C@H](C)[*:1])cc1OC
COc1ccc(/C=C/C(=O)N(C)[C@H](C)c2ccccc2)cc1OC C[C@H](c1ccccc1)[*:1] COc1ccc(/C=C/C(=O)N(C)[*:1])cc1OC
CCN(CC)c1ccc(NC(=O)NC[C@H]2CCOC2)c[nH+]1 CCN(CC)[*:1] O=C(NC[C@H]1CCOC1)Nc1ccc([nH+]c1)[*:1]
CCN(CC)c1ccc(NC(=O)NC[C@H]2CCOC2)c[nH+]1 C1C[C@@H](CO1)[*:1] CCN(CC)c1ccc(c[nH+]1)NC(=O)NC[*:1]
CCN(CC)c1ccc(NC(=O)NC[C@H]2CCOC2)c[nH+]1 C1C[C@@H](CO1)C[*:1] CCN(CC)c1ccc(c[nH+]1)NC(=O)N[*:1]
Cc1ccccc1Nc1nc(CN2CCCC3(C2)OCCO3)cs1 Cc1ccccc1N[*:1] c1sc(nc1CN1CCCC2(C1)OCCO2)[*:1]
Cc1ccccc1Nc1nc(CN2CCCC3(C2)OCCO3)cs1 Cc1ccccc1[*:1] c1sc(nc1CN1CCCC2(C1)OCCO2)N[*:1]
O=C(Cc1nc(COc2ccccc2I)cs1)Nc1ccccc1 Ic1ccccc1O[*:1] O=C(Cc1nc(cs1)C[*:1])Nc1ccccc1
O=C(Cc1nc(COc2ccccc2I)cs1)Nc1ccccc1 Ic1ccccc1[*:1] O=C(Cc1nc(cs1)CO[*:1])Nc1ccccc1
O=C(Cc1nc(COc2ccccc2I)cs1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1nc(cs1)COc1ccccc1I)N[*:1]
C[C@@H]1Sc2ccc(-c3nc(Cc4ccc(F)cc4)no3)cc2NC1=O Fc1ccc(cc1)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)-c1nc(C[*:1])no1
C[C@@H]1Sc2ccc(-c3nc(Cc4ccc(F)cc4)no3)cc2NC1=O Fc1ccc(cc1)C[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)-c1nc(no1)[*:1]
CNC(=O)NC(=O)CSc1nnnn1-c1ccc(C)c(C)c1 CNC(=O)NC(=O)[*:1] Cc1ccc(cc1C)-n1nnnc1SC[*:1]
CCOc1cccc2cc(C(=O)Nc3ccc(SC)cc3)oc12 CCO[*:1] CSc1ccc(cc1)NC(=O)c1cc2cccc(c2o1)[*:1]
Cc1nc2ccc(C(=O)Nc3cccc(Cl)c3-n3cncn3)cc2nc1C c1ncn(n1)[*:1] Cc1nc2ccc(cc2nc1C)C(=O)Nc1cccc(Cl)c1[*:1]
CCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)S/C1=N/c1ccc(C)c(C)c1 Cc1cccc(c1)[*:1] CCN1C(=O)C[C@@H](S/C1=N/c1ccc(C)c(C)c1)C(=O)N[*:1]
CCN1C(=O)C[C@H](C(=O)Nc2cccc(C)c2)S/C1=N/c1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CCN1C(=O)C[C@@H](SC1=N[*:1])C(=O)Nc1cccc(C)c1
CCCN(C)C(=O)Nc1ccc(CC(=O)N(CC)CC)cc1 CCC[*:1] CCN(CC)C(=O)Cc1ccc(cc1)NC(=O)N(C)[*:1]
CCCN(C)C(=O)Nc1ccc(CC(=O)N(CC)CC)cc1 CCN(CC)C(=O)[*:1] CCCN(C)C(=O)Nc1ccc(cc1)C[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@H]1c1ccc2OCOc2c1)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)-c1n[nH]c2OC(N)=C(C#N)[C@H](c12)[*:1]
O=C(Cc1ccncc1)NNC(=O)NCCOc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(Cc1ccncc1)NNC(=O)NCCO[*:1]
O=C(Cc1ccncc1)NNC(=O)NCCOc1ccc(F)cc1F c1cc(ccn1)[*:1] O=C(C[*:1])NNC(=O)NCCOc1ccc(F)cc1F
O=C(Cc1ccncc1)NNC(=O)NCCOc1ccc(F)cc1F c1cc(ccn1)C[*:1] O=C(NCCOc1ccc(F)cc1F)NNC(=O)[*:1]
COC(=O)c1cccc(OCC(=O)N[C@H](C)c2cccs2)c1 COC(=O)[*:1] C[C@@H](NC(=O)COc1cccc(c1)[*:1])c1cccs1
COC(=O)c1cccc(OCC(=O)N[C@H](C)c2cccs2)c1 C[C@H](c1cccs1)[*:1] COC(=O)c1cccc(c1)OCC(=O)N[*:1]
COC(=O)c1cccc(OCC(=O)N[C@H](C)c2cccs2)c1 c1csc(c1)[*:1] COC(=O)c1cccc(c1)OCC(=O)N[C@H](C)[*:1]
CO[C@@H](c1ccccc1)c1nc(-c2ccc(C)c(Cl)c2)no1 c1ccc(cc1)[*:1] CO[C@@H](c1nc(no1)-c1ccc(C)c(Cl)c1)[*:1]
CNC(=O)Cc1ccc(NS(=O)(=O)c2cc(F)ccc2OC)cc1 CNC(=O)C[*:1] COc1ccc(F)cc1S(=O)(=O)Nc1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NS(=O)(=O)c2cc(F)ccc2OC)cc1 CNC(=O)[*:1] COc1ccc(F)cc1S(=O)(=O)Nc1ccc(cc1)C[*:1]
O[C@@H](CN[C@H]1CCc2cc(Cl)ccc21)c1ccncc1 c1cc(ccn1)[*:1] O[C@@H](CN[C@H]1CCc2cc(Cl)ccc21)[*:1]
O=C(Cl)c1cccc(OCC2CC2)c1 O=C(Cl)[*:1] c1cc(cc(c1)[*:1])OCC1CC1
O=C(Cl)c1cccc(OCC2CC2)c1 C1CC1[*:1] O=C(Cl)c1cccc(c1)OC[*:1]
O=C(Cl)c1cccc(OCC2CC2)c1 C1CC1C[*:1] O=C(Cl)c1cccc(c1)O[*:1]
O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1cccc(F)c1 C1CN(CCO1)[*:1] O=C(CSc1nc(=O)n(CC[*:1])c2CCCc12)Nc1cccc(F)c1
O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CSc1nc(=O)n(CCN2CCOCC2)c2CCCc12)N[*:1]
O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1cccc(F)c1 C1CN(CCO1)C[*:1] O=C(CSc1nc(=O)n(C[*:1])c2CCCc12)Nc1cccc(F)c1
O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1cccc(F)c1 O=C(Nc1cccc(F)c1)[*:1] O=c1nc(SC[*:1])c2CCCc2n1CCN1CCOCC1
O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1cccc(F)c1 C1CN(CCO1)CC[*:1] O=C(CSc1nc(=O)n(c2CCCc12)[*:1])Nc1cccc(F)c1
CCOC(=O)N1CCC[C@H](c2nc(-c3ccc(C#N)cn3)no2)C1 N#Cc1ccc(nc1)[*:1] CCOC(=O)N1CCC[C@@H](C1)c1nc(no1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1occc1C CNC(=O)[*:1] Cc1ccoc1C(=O)N(C)C[C@H](C)[*:1]
COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1c(C)noc1C Cc1noc(C)c1[*:1] Cc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N(C)C
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1c(C)noc1C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)c1c(C)noc1C)[*:1]
Cc1cc([N-]S(=O)(=O)C(F)F)ncc1Br FC(F)[*:1] Cc1cc(ncc1Br)[N-]S(=O)(=O)[*:1]
CCSCC[C@H](C)N(C)C(=O)c1ccc(NC=O)cc1 O=CN[*:1] CCSCC[C@H](C)N(C)C(=O)c1ccc(cc1)[*:1]
CCSCC[C@H](C)N(C)C(=O)c1ccc(NC=O)cc1 CCSC[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccc(cc1)NC=O
CCSCC[C@H](C)N(C)C(=O)c1ccc(NC=O)cc1 CCS[*:1] C[C@@H](CC[*:1])N(C)C(=O)c1ccc(cc1)NC=O
CCSCC[C@H](C)N(C)C(=O)c1ccc(NC=O)cc1 CCSCC[*:1] C[C@H](N(C)C(=O)c1ccc(cc1)NC=O)[*:1]
O=C(c1ccc(F)cc1)N(CCc1ccccc1)Cc1cccnc1 Fc1ccc(cc1)[*:1] O=C(N(CCc1ccccc1)Cc1cccnc1)[*:1]
O=C(c1ccc(F)cc1)N(CCc1ccccc1)Cc1cccnc1 c1ccc(cc1)C[*:1] O=C(c1ccc(F)cc1)N(Cc1cccnc1)C[*:1]
O=C(c1ccc(F)cc1)N(CCc1ccccc1)Cc1cccnc1 c1cncc(c1)[*:1] O=C(c1ccc(F)cc1)N(CCc1ccccc1)C[*:1]
O=C(c1ccc(F)cc1)N(CCc1ccccc1)Cc1cccnc1 c1ccc(cc1)[*:1] O=C(c1ccc(F)cc1)N(CC[*:1])Cc1cccnc1
O=C(c1ccc(F)cc1)N(CCc1ccccc1)Cc1cccnc1 c1ccc(cc1)CC[*:1] O=C(c1ccc(F)cc1)N(Cc1cccnc1)[*:1]
O=C(c1ccc(F)cc1)N(CCc1ccccc1)Cc1cccnc1 c1cncc(c1)C[*:1] O=C(c1ccc(F)cc1)N(CCc1ccccc1)[*:1]
O=C(NC[C@@H]1CCCO1)NC[C@@H]1Cc2ccccc2O1 C1CO[C@@H](C1)[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)NC[*:1]
O=C(NC[C@@H]1CCCO1)NC[C@@H]1Cc2ccccc2O1 C1CO[C@@H](C1)C[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)N[*:1]
COC(=O)[C@@H]1CN(C(=O)NC2CCCCC2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)NC1CCCCC1
COC(=O)[C@@H]1CN(C(=O)NC2CCCCC2)C[C@H]1C C1CCC(CC1)[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)N[*:1]
C[C@H](OC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](OC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)[*:1]
C[C@H](OC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1)[C@H]1CCCO1 Clc1cccc(c1)[*:1] C[C@H](OC(=O)[C@H]1CC(=O)N(C)[C@H]1[*:1])[C@H]1CCCO1
CC[C@@H](NC(=O)c1ccccc1O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ccccc1O)[*:1]
CCCC(=O)NCC(=O)N(CC)C1CCCC1 C1CCC(C1)[*:1] CCCC(=O)NCC(=O)N(CC)[*:1]
CCCC(=O)NCC(=O)N(CC)C1CCCC1 CCC[*:1] CCN(C(=O)CNC(=O)[*:1])C1CCCC1
C[C@@H](C(=O)Nc1ccccn1)c1ccc2ccccc2c1 c1ccc(nc1)[*:1] C[C@@H](C(=O)N[*:1])c1ccc2ccccc2c1
FC(F)(F)c1csc([C@@H]2CCCN(Cc3ccsc3)C2)n1 FC(F)(F)[*:1] c1cc(cs1)CN1CCC[C@H](C1)c1nc(cs1)[*:1]
FC(F)(F)c1csc([C@@H]2CCCN(Cc3ccsc3)C2)n1 c1cc(cs1)[*:1] FC(F)(F)c1csc(n1)[C@@H]1CCCN(C1)C[*:1]
FC(F)(F)c1csc([C@@H]2CCCN(Cc3ccsc3)C2)n1 c1cc(cs1)C[*:1] FC(F)(F)c1csc(n1)[C@@H]1CCCN(C1)[*:1]
CN1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)[C@H](c2ccccc2)C1 C1CO[C@@H](C1)[*:1] CN1CCN(C(=O)c2cccc(c2)OC[*:1])[C@@H](C1)c1ccccc1
CN1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)[C@H](c2ccccc2)C1 C1CO[C@@H](C1)CO[*:1] CN1CCN(C(=O)c2cccc(c2)[*:1])[C@@H](C1)c1ccccc1
CN1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)c2cccc(c2)OC[C@@H]2CCCO2)[C@H](C1)[*:1]
CN1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)[C@H](c2ccccc2)C1 C1CO[C@@H](C1)C[*:1] CN1CCN(C(=O)c2cccc(c2)O[*:1])[C@@H](C1)c1ccccc1
CC1(C(=O)N2CC[C@]3(CCCNC3=O)C2)CCCC1 CC1(CCCC1)[*:1] O=C1NCCC[C@]12CCN(C2)C(=O)[*:1]
COc1ccc(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)c(C)c1C O=[N+]([O-])[*:1] COc1ccc(c(C)c1C)S(=O)(=O)n1c(cnc1C)[*:1]
O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1ccc2c(c1)OCO2 C1CC1[*:1] O=C(Cn1cc(C(=O)[*:1])c2ccccc21)NCc1ccc2OCOc2c1
O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1ccc2c(c1)OCO2 O=C(C1CC1)[*:1] O=C(Cn1cc(c2ccccc21)[*:1])NCc1ccc2OCOc2c1
O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NC[*:1]
O=C(NCc1cccc(NC(=O)c2ccco2)c1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1cccc(c1)NC(=O)c1ccco1)N[*:1]
O=C(NCc1cccc(NC(=O)c2ccco2)c1)Nc1ccccc1 O=C(N[*:1])c1ccco1 O=C(NCc1cccc(c1)[*:1])Nc1ccccc1
O=C(NCc1cccc(NC(=O)c2ccco2)c1)Nc1ccccc1 c1coc(c1)[*:1] O=C(NCc1cccc(c1)NC(=O)[*:1])Nc1ccccc1
COC(=O)c1ccc(C[NH2+][C@@H]2CSCc3ccccc32)cc1OC COC(=O)[*:1] COc1cc(ccc1[*:1])C[NH2+][C@@H]1CSCc2ccccc21
Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)[C@@H](C)c2ccc(F)cc2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)[C@H](C)S(=O)(=O)[C@@H](C)[*:1]
Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)[C@@H](C)c2ccc(F)cc2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)[C@@H](C)c1ccc(F)cc1
O=C(c1nc2sccn2c1CN1CC=C(c2ccc(F)cc2)CC1)N1CCCCC1 Fc1ccc(cc1)[*:1] O=C(c1nc2sccn2c1CN1CC=C(CC1)[*:1])N1CCCCC1
O=C(c1nc2sccn2c1CN1CC=C(c2ccc(F)cc2)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] Fc1ccc(cc1)C1=CCN(CC1)Cc1c(nc2sccn12)[*:1]
Cc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@@H](O)COc1ccccc1F Fc1ccccc1OC[*:1] Cc1cc(=O)n2nc(cc2n1C[C@@H](O)[*:1])-c1ccccc1
Cc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@@H](O)COc1ccccc1F Fc1ccccc1[*:1] Cc1cc(=O)n2nc(cc2n1C[C@@H](O)CO[*:1])-c1ccccc1
Cc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@@H](O)COc1ccccc1F c1ccc(cc1)[*:1] Cc1cc(=O)n2nc(cc2n1C[C@@H](O)COc1ccccc1F)[*:1]
Cc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@@H](O)COc1ccccc1F Fc1ccccc1O[*:1] Cc1cc(=O)n2nc(cc2n1C[C@@H](O)C[*:1])-c1ccccc1
CCOc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCCCC4)ccc3c2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1cc(F)c2nc(ccc2c1)N1CCCCC1)N[*:1]
CCOc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCCCC4)ccc3c2)cc1 C1CCN(CC1)[*:1] CCOc1ccc(cc1)NC(=O)Nc1cc(F)c2nc(ccc2c1)[*:1]
CCOc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCCCC4)ccc3c2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1cc(F)c2nc(ccc2c1)N1CCCCC1
COC(=O)C1=NN(c2cccc(C)c2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 Clc1cccc(c1)[*:1] COC(=O)C1=NN(c2cccc(C)c2)[C@@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
COC(=O)C1=NN(c2cccc(C)c2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 Cc1cccc(c1)[*:1] COC(=O)C1=NN([C@@H]2C(=O)N(C(=O)[C@@H]12)c1cccc(Cl)c1)[*:1]
CC(=O)NCCn1c(C(C)C)n[nH]c1=S CC(=O)NC[*:1] CC(C)c1n[nH]c(=S)n1C[*:1]
CC(=O)NCCn1c(C(C)C)n[nH]c1=S CC(C)[*:1] CC(=O)NCCn1c(n[nH]c1=S)[*:1]
CC(=O)NCCn1c(C(C)C)n[nH]c1=S CC(=O)N[*:1] CC(C)c1n[nH]c(=S)n1CC[*:1]
CO[C@]1(C)C[C@H](N(C)C(=O)c2cccs2)C1(C)C c1csc(c1)[*:1] CO[C@]1(C)C[C@H](N(C)C(=O)[*:1])C1(C)C
CC(C)[C@@H](C)NC(=O)Cn1ccc([C@@H]([NH3+])C2CC2)c1 CC(C)[C@@H](C)[*:1] [NH3+][C@H](c1ccn(c1)CC(=O)N[*:1])C1CC1
CC(C)[C@@H](C)NC(=O)Cn1ccc([C@@H]([NH3+])C2CC2)c1 CC(C)[*:1] C[C@@H](NC(=O)Cn1ccc(c1)[C@@H]([NH3+])C1CC1)[*:1]
CC(C)[C@@H](C)NC(=O)Cn1ccc([C@@H]([NH3+])C2CC2)c1 C1CC1[*:1] CC(C)[C@@H](C)NC(=O)Cn1ccc(c1)[C@@H]([NH3+])[*:1]
CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1 O=C(NC1CCCC1)[*:1] CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1 C1CCC(CC1)[*:1] CN(S(=O)(=O)N1CCC[C@@H](C1)C(=O)NC1CCCC1)[*:1]
O=C1CC[C@@H](COC(=O)c2cccn2Cc2ccccc2)N1 c1ccc(cc1)[*:1] O=C1CC[C@@H](COC(=O)c2cccn2C[*:1])N1
O=C1CC[C@@H](COC(=O)c2cccn2Cc2ccccc2)N1 c1ccc(cc1)C[*:1] O=C1CC[C@@H](COC(=O)c2cccn2[*:1])N1
CN(C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C Clc1cc(Cl)cc(c1)[*:1] CN(C(=O)C[C@H](O)[*:1])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
CC(=O)N1CC(c2nc(N3CC[C@H](O)C3)cc(C)[nH+]2)C1 O[C@H]1CCN(C1)[*:1] CC(=O)N1CC(C1)c1nc(cc(C)[nH+]1)[*:1]
N#CCc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 N#CC[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(N2CCN(c3nc4ccccc4c(=O)[nH]3)CC2)c1 Cc1cccc(c1)[*:1] O=c1[nH]c(nc2ccccc12)N1CCN(CC1)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)/C=C/c1csc(C)n1 CC[C@H](C)[*:1] Cc1nc(/C=C/C(=O)N[C@@H](C)C[*:1])cs1
CC[C@H](C)C[C@H](C)NC(=O)/C=C/c1csc(C)n1 CC[C@H](C)C[*:1] Cc1nc(/C=C/C(=O)N[C@@H](C)[*:1])cs1
CC[C@H](C)C[C@H](C)NC(=O)/C=C/c1csc(C)n1 Cc1nc(cs1)[*:1] CC[C@H](C)C[C@H](C)NC(=O)C=C[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)NCCOCC(C)C)n1 CC(C)COCC[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)NCCOCC(C)C)n1 CC(C)COC[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)NC[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)NCCOCC(C)C)n1 CC(C)CO[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)NCC[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)NCCOCC(C)C)n1 CC(C)C[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)NCCO[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)NCCOCC(C)C)n1 CC(C)[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)NCCOC[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)NCCOCC(C)C)n1 Cc1nc(C)n(n1)[*:1] CC(C)COCCNC(=O)Nc1ccccc1[*:1]
CC#CCSc1nnc(-c2ccncc2)n1C1CC1 c1cc(ccn1)[*:1] CC#CCSc1nnc(n1C1CC1)[*:1]
CC#CCSc1nnc(-c2ccncc2)n1C1CC1 C1CC1[*:1] CC#CCSc1nnc(-c2ccncc2)n1[*:1]
CC#CCSc1nnc(-c2ccncc2)n1C1CC1 CC#CC[*:1] c1cc(ccn1)-c1nnc(S[*:1])n1C1CC1
CC#CCSc1nnc(-c2ccncc2)n1C1CC1 CC#C[*:1] c1cc(ccn1)-c1nnc(SC[*:1])n1C1CC1
CC#CCSc1nnc(-c2ccncc2)n1C1CC1 CC#CCS[*:1] c1cc(ccn1)-c1nnc(n1C1CC1)[*:1]
C=CCn1c(SCC#N)nnc1-c1cc2c(s1)CC[C@H](CC)C2 N#CC[*:1] C=CCn1c(nnc1-c1cc2C[C@@H](CC)CCc2s1)S[*:1]
C=CCn1c(SCC#N)nnc1-c1cc2c(s1)CC[C@H](CC)C2 C=CC[*:1] CC[C@H]1CCc2sc(cc2C1)-c1nnc(SCC#N)n1[*:1]
C=CCn1c(SCC#N)nnc1-c1cc2c(s1)CC[C@H](CC)C2 N#CCS[*:1] C=CCn1c(nnc1[*:1])-c1cc2C[C@@H](CC)CCc2s1
COc1ccc(OCC(=O)Nc2cc(C)nc3ccc(F)cc23)cc1 COc1ccc(cc1)[*:1] Cc1cc(NC(=O)CO[*:1])c2cc(F)ccc2n1
CC(C)[NH2+][C@H](C)[C@H](C)c1nccn1C CC(C)[*:1] C[C@H](c1nccn1C)[C@@H](C)[NH2+][*:1]
N#CCCNC(=O)CSc1nnc(NC2CC2)s1 C1CC1[*:1] N#CCCNC(=O)CSc1nnc(N[*:1])s1
N#CCCNC(=O)CSc1nnc(NC2CC2)s1 N#CC[*:1] O=C(CSc1nnc(NC2CC2)s1)NC[*:1]
N#CCCNC(=O)CSc1nnc(NC2CC2)s1 N#CCC[*:1] O=C(CSc1nnc(NC2CC2)s1)N[*:1]
N#CCCNC(=O)CSc1nnc(NC2CC2)s1 C1CC1N[*:1] N#CCCNC(=O)CSc1nnc(s1)[*:1]
CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 CC(=O)N[*:1] C[C@@H](Sc1ccc(cc1)[*:1])C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C
COc1ccc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3cccnc3)CC2)cc1OC COc1ccc(cc1OC)[*:1] O[C@@H](c1cccnc1)c1ccccc1N1CC[NH+](CC1)C[*:1]
COc1ccc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3cccnc3)CC2)cc1OC O[C@@H](c1cccnc1)[*:1] COc1ccc(cc1OC)C[NH+]1CCN(CC1)c1ccccc1[*:1]
COc1ccc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3cccnc3)CC2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)C[NH+]1CCN(CC1)c1ccccc1[C@@H](O)[*:1]
CC(C)S[C@H](NC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)S[C@H](NC(=O)[*:1])c1ccccc1
CC(C)S[C@H](NC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)S[C@H](NC(=O)c1ccccc1)[*:1]
CC(C)S[C@H](NC(=O)c1ccccc1)c1ccccc1 CC(C)[*:1] O=C(N[C@@H](S[*:1])c1ccccc1)c1ccccc1
CC(C)S[C@H](NC(=O)c1ccccc1)c1ccccc1 CC(C)S[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1ccccc1
O=C(O[C@@H]1CCOC1=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 c1ccc(cc1)[*:1] O=C(O[C@@H]1CCOC1=O)c1cc(nc2c1cnn2Cc1ccco1)[*:1]
O=C(O[C@@H]1CCOC1=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 c1coc(c1)C[*:1] O=C(O[C@@H]1CCOC1=O)c1cc(nc2c1cnn2[*:1])-c1ccccc1
O=C(O[C@@H]1CCOC1=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 c1coc(c1)[*:1] O=C(O[C@@H]1CCOC1=O)c1cc(nc2c1cnn2C[*:1])-c1ccccc1
CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(c1)[*:1]
CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(c1)O[*:1]
CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC(F)(F)F)c1 CCOC(=O)[*:1] Cc1ccc2c(Nc3cccc(c3)OC(F)(F)F)c(cnc2n1)[*:1]
CCOCC(=O)N1CC[C@H](Nc2ccccc2)C1 CCOC[*:1] O=C(N1CC[C@@H](C1)Nc1ccccc1)[*:1]
CCOCC(=O)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] CCOCC(=O)N1CC[C@@H](C1)N[*:1]
CCOCC(=O)N1CC[C@H](Nc2ccccc2)C1 CCO[*:1] O=C(C[*:1])N1CC[C@@H](C1)Nc1ccccc1
Cc1cc(CS[C@H](C)c2ncc(C(C)(C)C)o2)on1 Cc1cc(on1)[*:1] C[C@@H](SC[*:1])c1ncc(o1)C(C)(C)C
Cc1cc(CS[C@H](C)c2ncc(C(C)(C)C)o2)on1 CC(C)(C)[*:1] Cc1cc(CS[C@H](C)c2ncc(o2)[*:1])on1
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCOc1ccccc1 O=[N+]([O-])[*:1] FC(F)(F)c1ccc(NCCOc2ccccc2)c(c1)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCOc1ccccc1 c1ccc(cc1)O[*:1] O=[N+]([O-])c1cc(ccc1NCC[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCOc1ccccc1 FC(F)(F)[*:1] O=[N+]([O-])c1cc(ccc1NCCOc1ccccc1)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCOc1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1NCCO[*:1])C(F)(F)F
COc1cccc(CC(=O)N2CCN(C3=Nc4ccccc4Oc4c(OC)cccc43)CC2)c1 COc1cccc(c1)[*:1] COc1cccc2C(=Nc3ccccc3Oc12)N1CCN(CC1)C(=O)C[*:1]
COc1cccc(CC(=O)N2CCN(C3=Nc4ccccc4Oc4c(OC)cccc43)CC2)c1 COc1cccc(c1)C[*:1] COc1cccc2C(=Nc3ccccc3Oc12)N1CCN(CC1)C(=O)[*:1]
CC[NH+](CC)[C@H](C)CNc1cc(-n2ccnc2)ncn1 c1cn(cn1)[*:1] CC[NH+](CC)[C@H](C)CNc1cc(ncn1)[*:1]
Cc1ccc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c2cccnc12 CC(C)(C)OC(=O)N[*:1] Cc1ccc(NC(=O)[C@@H](C)[*:1])c2cccnc12
Cc1ccc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c2cccnc12 CC(C)(C)[*:1] Cc1ccc(NC(=O)[C@@H](C)NC(=O)O[*:1])c2cccnc12
CCN(CC)C(=O)Cc1nn(CC(=O)Nc2ccc(C)cc2C)c(=O)c2ccccc12 CCN(CC)C(=O)C[*:1] Cc1ccc(NC(=O)Cn2nc(c3ccccc3c2=O)[*:1])c(C)c1
CCN(CC)C(=O)Cc1nn(CC(=O)Nc2ccc(C)cc2C)c(=O)c2ccccc12 CCN(CC)C(=O)[*:1] Cc1ccc(NC(=O)Cn2nc(C[*:1])c3ccccc3c2=O)c(C)c1
CCN(CC)C(=O)Cc1nn(CC(=O)Nc2ccc(C)cc2C)c(=O)c2ccccc12 Cc1ccc(c(C)c1)[*:1] CCN(CC)C(=O)Cc1nn(CC(=O)N[*:1])c(=O)c2ccccc12
COc1ccc([C@@H]2[C@@H](C(=O)NCCO)CCC(=O)N2C)cc1 O=C(NCCO)[*:1] COc1ccc(cc1)[C@@H]1[C@@H](CCC(=O)N1C)[*:1]
COc1ccc([C@@H]2[C@@H](C(=O)NCCO)CCC(=O)N2C)cc1 OCC[*:1] COc1ccc(cc1)[C@@H]1[C@H](CCC(=O)N1C)C(=O)N[*:1]
C#CCNCC(=O)NCCc1ccc(O)cc1 C#CCN[*:1] O=C(C[*:1])NCCc1ccc(O)cc1
C#CCNCC(=O)NCCc1ccc(O)cc1 C#CC[*:1] O=C(CN[*:1])NCCc1ccc(O)cc1
C#CCNCC(=O)NCCc1ccc(O)cc1 C#CCNC[*:1] O=C(NCCc1ccc(O)cc1)[*:1]
CCOCCNC(=O)c1cc(C)ccc1C CCO[*:1] Cc1ccc(C)c(c1)C(=O)NCC[*:1]
CCOCCNC(=O)c1cc(C)ccc1C CCOC[*:1] Cc1ccc(C)c(c1)C(=O)NC[*:1]
CCOCCNC(=O)c1cc(C)ccc1C CCOCC[*:1] Cc1ccc(C)c(c1)C(=O)N[*:1]
COCCn1ccc(NC(=O)NNc2ccccc2F)n1 COC[*:1] O=C(NNc1ccccc1F)Nc1ccn(C[*:1])n1
COCCn1ccc(NC(=O)NNc2ccccc2F)n1 Fc1ccccc1[*:1] COCCn1ccc(n1)NC(=O)NN[*:1]
COCCn1ccc(NC(=O)NNc2ccccc2F)n1 COCC[*:1] O=C(NNc1ccccc1F)Nc1ccn(n1)[*:1]
Cn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(SCC(=O)c3ccc(F)cc3)nnc12 O=C(CS[*:1])c1ccc(F)cc1 Cn1c(=O)c2ccc(cc2n2c(nnc12)[*:1])C(=O)NC1CCCCC1
Cn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(SCC(=O)c3ccc(F)cc3)nnc12 C1CCC(CC1)[*:1] Cn1c(=O)c2ccc(cc2n2c(nnc12)SCC(=O)c1ccc(F)cc1)C(=O)N[*:1]
Cn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(SCC(=O)c3ccc(F)cc3)nnc12 O=C(NC1CCCCC1)[*:1] Cn1c(=O)c2ccc(cc2n2c(nnc12)SCC(=O)c1ccc(F)cc1)[*:1]
Cn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(SCC(=O)c3ccc(F)cc3)nnc12 Fc1ccc(cc1)[*:1] Cn1c(=O)c2ccc(cc2n2c(nnc12)SCC(=O)[*:1])C(=O)NC1CCCCC1
Cn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(SCC(=O)c3ccc(F)cc3)nnc12 O=C(c1ccc(F)cc1)[*:1] Cn1c(=O)c2ccc(cc2n2c(nnc12)SC[*:1])C(=O)NC1CCCCC1
Cn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(SCC(=O)c3ccc(F)cc3)nnc12 O=C(C[*:1])c1ccc(F)cc1 Cn1c(=O)c2ccc(cc2n2c(nnc12)S[*:1])C(=O)NC1CCCCC1
OCC#Cc1ccc(-c2nccn2-c2cccc(-c3cscn3)c2)s1 OCC#C[*:1] c1cc(cc(c1)-n1ccnc1-c1ccc(s1)[*:1])-c1cscn1
OCC#Cc1ccc(-c2nccn2-c2cccc(-c3cscn3)c2)s1 c1nc(cs1)[*:1] OCC#Cc1ccc(s1)-c1nccn1-c1cccc(c1)[*:1]
O=C(Nc1ccc(C(=O)NC2CC2)cc1)N[C@H]1CCSc2ccc(F)cc21 O=C(NC1CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H]1CCSc2ccc(F)cc21
O=C(Nc1ccc(C(=O)NC2CC2)cc1)N[C@H]1CCSc2ccc(F)cc21 C1CC1[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])N[C@H]1CCSc2ccc(F)cc21
COc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)NC(C)(C)C CC(C)(C)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)Nc1ccccc1Cl
COc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)NC(C)(C)C CC(C)(C)NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccccc1Cl
COc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)NC(C)(C)C Clc1ccccc1[*:1] COc1ccc(cc1S(=O)(=O)NC(C)(C)C)C(=O)N[*:1]
Cc1ccc(Oc2ncnc(Nc3cccc4cccnc34)c2[N+](=O)[O-])cc1C Cc1ccc(cc1C)[*:1] O=[N+]([O-])c1c(ncnc1O[*:1])Nc1cccc2cccnc12
Cc1ccc(Oc2ncnc(Nc3cccc4cccnc34)c2[N+](=O)[O-])cc1C Cc1ccc(cc1C)O[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cccc2cccnc12
Cc1ccc(Oc2ncnc(Nc3cccc4cccnc34)c2[N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)Oc1ncnc(Nc2cccc3cccnc23)c1[*:1]
CC(C)c1nc(CC(=O)Nc2cccc(NS(N)(=O)=O)c2)cs1 NS(=O)(=O)N[*:1] CC(C)c1nc(cs1)CC(=O)Nc1cccc(c1)[*:1]
CC(C)c1nc(CC(=O)Nc2cccc(NS(N)(=O)=O)c2)cs1 CC(C)[*:1] NS(=O)(=O)Nc1cccc(c1)NC(=O)Cc1csc(n1)[*:1]
COCc1nc(C[NH2+]Cc2cc(F)cc(OC)c2)cs1 COC[*:1] COc1cc(F)cc(c1)C[NH2+]Cc1csc(n1)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)c2ccco2)c(O)c1 c1coc(c1)[*:1] CC(C)CC(=O)Nc1ccc(NC(=O)[*:1])c(O)c1
CC(C)CC(=O)Nc1ccc(NC(=O)c2ccco2)c(O)c1 CC(C)C[*:1] O=C(Nc1ccc(cc1O)NC(=O)[*:1])c1ccco1
CC(C)CC(=O)Nc1ccc(NC(=O)c2ccco2)c(O)c1 CC(C)[*:1] O=C(C[*:1])Nc1ccc(NC(=O)c2ccco2)c(O)c1
CC(C)CC(=O)Nc1ccc(NC(=O)c2ccco2)c(O)c1 CC(C)CC(=O)N[*:1] O=C(Nc1ccc(cc1O)[*:1])c1ccco1
C[C@@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1)[*:1]
C[C@@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1[*:1])c1ccncc1
C[C@@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1)c1ccncc1 C[C@@H](c1ccncc1)[*:1] CN1C(=O)CO[C@@H](C(=O)N[*:1])[C@@H]1c1ccccc1
O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N[C@@H]1CCOc2ccccc21 c1ccc(cc1)[*:1] O=C(CCc1nc2ccccc2n(CC[*:1])c1=O)N[C@@H]1CCOc2ccccc21
O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N[C@@H]1CCOc2ccccc21 c1ccc(cc1)C[*:1] O=C(CCc1nc2ccccc2n(C[*:1])c1=O)N[C@@H]1CCOc2ccccc21
O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N[C@@H]1CCOc2ccccc21 c1ccc(cc1)CC[*:1] O=C(CCc1nc2ccccc2n(c1=O)[*:1])N[C@@H]1CCOc2ccccc21
C[C@@H]1C[C@H]([NH2+]C2CCCC2)C(=O)N1c1ccccc1 C1CCC(C1)[*:1] C[C@@H]1C[C@H]([NH2+][*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@H]([NH2+]C2CCCC2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H]([NH2+]C2CCCC2)C(=O)N1[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1 Cc1ccc(Cl)cc1[*:1] C[C@@H](Sc1ccc(cn1)S(=O)(=O)N(C)C)C(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1 CN(C)S(=O)(=O)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(cn1)[*:1]
COc1ccccc1[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1C COc1ccccc1[*:1] Cc1occc1-c1nnc(SCC(=O)N[C@@H](C)[*:1])n1C
COc1ccccc1[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1C Cc1occc1[*:1] COc1ccccc1[C@H](C)NC(=O)CSc1nnc(n1C)[*:1]
Cc1nc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)o1 Clc1cccc(c1)[*:1] Cc1nc(C#N)c(o1)N1CCN(CC1)[*:1]
COc1cccc(N/C(=N/C(=O)c2ccc(C)c(C)c2)NCc2ccccn2)c1 c1ccc(C[*:1])nc1 COc1cccc(c1)N/C(=N/C(=O)c1ccc(C)c(C)c1)N[*:1]
COc1cccc(N/C(=N/C(=O)c2ccc(C)c(C)c2)NCc2ccccn2)c1 Cc1ccc(cc1C)[*:1] COc1cccc(c1)N/C(=N/C(=O)[*:1])NCc1ccccn1
COc1cccc(N/C(=N/C(=O)c2ccc(C)c(C)c2)NCc2ccccn2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)N/C(=N/C(=O)c1ccc(C)c(C)c1)NC[*:1]
COc1cccc(N/C(=N/C(=O)c2ccc(C)c(C)c2)NCc2ccccn2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1C)C(=O)/N=C(\NCc1ccccn1)N[*:1]
Cc1nn(-c2ccc(F)cc2F)c2c1[C@H](C(=O)c1cccc(Cl)c1)CC(=O)N2 O=C(c1cccc(Cl)c1)[*:1] Cc1nn(-c2ccc(F)cc2F)c2NC(=O)C[C@@H](c12)[*:1]
Cc1nn(-c2ccc(F)cc2F)c2c1[C@H](C(=O)c1cccc(Cl)c1)CC(=O)N2 Fc1ccc(c(F)c1)[*:1] Cc1nn(c2NC(=O)C[C@@H](C(=O)c3cccc(Cl)c3)c12)[*:1]
Cc1nn(-c2ccc(F)cc2F)c2c1[C@H](C(=O)c1cccc(Cl)c1)CC(=O)N2 Clc1cccc(c1)[*:1] Cc1nn(-c2ccc(F)cc2F)c2NC(=O)C[C@@H](C(=O)[*:1])c12
O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O O=[N+]([O-])[*:1] O=C(NCCNc1ccc(cc1[*:1])C(F)(F)F)c1ccccc1O
O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O FC(F)(F)[*:1] O=C(NCCNc1ccc(cc1[N+](=O)[O-])[*:1])c1ccccc1O
O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O Oc1ccccc1[*:1] O=C(NCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
Cc1ncc(-c2onc(C)c2C)c(-c2ccco2)n1 c1coc(c1)[*:1] Cc1ncc(c(n1)[*:1])-c1onc(C)c1C
CC(C)c1ccc2cc(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)[nH]c2c1 O=C(CN1CCOCC1)N[*:1] CC(C)c1ccc2cc([nH]c2c1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc2cc(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)[nH]c2c1 C1CN(CCO1)C[*:1] CC(C)c1ccc2cc([nH]c2c1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)c1ccc2cc(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)[nH]c2c1 CC(C)[*:1] O=C(CN1CCOCC1)Nc1ccc(cc1)NC(=O)c1cc2ccc(cc2[nH]1)[*:1]
CC(C)c1ccc2cc(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)[nH]c2c1 C1CN(CCO1)[*:1] CC(C)c1ccc2cc([nH]c2c1)C(=O)Nc1ccc(cc1)NC(=O)C[*:1]
COC(=O)[C@](NC(=O)c1ccccc1C)(Nc1ncc(C)s1)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@](NC(=O)c1ccccc1C)(Nc1ncc(C)s1)[*:1]
COC(=O)[C@](NC(=O)c1ccccc1C)(Nc1ncc(C)s1)C(F)(F)F Cc1cnc(s1)[*:1] COC(=O)[C@](NC(=O)c1ccccc1C)(N[*:1])C(F)(F)F
COC(=O)[C@](NC(=O)c1ccccc1C)(Nc1ncc(C)s1)C(F)(F)F Cc1cnc(N[*:1])s1 COC(=O)[C@](NC(=O)c1ccccc1C)(C(F)(F)F)[*:1]
COC(=O)[C@](NC(=O)c1ccccc1C)(Nc1ncc(C)s1)C(F)(F)F Cc1ccccc1[*:1] COC(=O)[C@](NC(=O)[*:1])(Nc1ncc(C)s1)C(F)(F)F
COC(=O)[C@](NC(=O)c1ccccc1C)(Nc1ncc(C)s1)C(F)(F)F COC(=O)[*:1] Cc1cnc(N[C@@](NC(=O)c2ccccc2C)(C(F)(F)F)[*:1])s1
Cc1cccc(C(=O)NCCNC(=O)c2ccc(C(N)=O)cc2)c1 Cc1cccc(c1)[*:1] NC(=O)c1ccc(cc1)C(=O)NCCNC(=O)[*:1]
Cc1cccc(C(=O)NCCNC(=O)c2ccc(C(N)=O)cc2)c1 NC(=O)[*:1] Cc1cccc(c1)C(=O)NCCNC(=O)c1ccc(cc1)[*:1]
O=C([C@@H]1CCOC1)N1CCO[C@H]2CCCC[C@H]21 C1C[C@H](CO1)[*:1] O=C(N1CCO[C@H]2CCCC[C@H]21)[*:1]
Cc1ccc([C@@H](CC(=O)Nc2ccc(C)c(C)c2)N2Cc3ccccc3C2=O)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)[C@@H](CC(=O)N[*:1])N1Cc2ccccc2C1=O
Cc1ccc([C@@H](CC(=O)Nc2ccc(C)c(C)c2)N2Cc3ccccc3C2=O)cc1 O=C1c2ccccc2CN1[*:1] Cc1ccc(cc1)[C@@H](CC(=O)Nc1ccc(C)c(C)c1)[*:1]
Cc1ccc([C@@H](CC(=O)Nc2ccc(C)c(C)c2)N2Cc3ccccc3C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)C[C@@H](N1Cc2ccccc2C1=O)[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)NCCc3ncnn3C)[nH]c2c1 Cn1ncnc1[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)NCC[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)NCCc3ncnn3C)[nH]c2c1 Cn1ncnc1CC[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)N[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)NCCc3ncnn3C)[nH]c2c1 Cn1ncnc1C[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)NC[*:1]
COc1ccccc1[C@@H](CNC(=O)c1ccc(C)c(F)c1)[NH+]1CCCCC1 COc1ccccc1[*:1] Cc1ccc(cc1F)C(=O)NC[C@@H]([NH+]1CCCCC1)[*:1]
COc1ccccc1[C@@H](CNC(=O)c1ccc(C)c(F)c1)[NH+]1CCCCC1 Cc1ccc(cc1F)[*:1] COc1ccccc1[C@@H](CNC(=O)[*:1])[NH+]1CCCCC1
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCCc1cccc(Cl)c1 CC(C)[*:1] O=C(N[C@@H](C(=O)NCCc1cccc(Cl)c1)[*:1])c1ccccc1F
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCCc1cccc(Cl)c1 Fc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NCCc1cccc(Cl)c1
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NC[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCC[*:1]
CCC(CC)(CCO)CNC(=O)Nc1ccc(Cl)cc1 OCC[*:1] CCC(CC)(CNC(=O)Nc1ccc(Cl)cc1)[*:1]
C[C@@H]1C[C@@H]1NC(=O)N[C@@H](CCCO)c1ccccc1 OCCC[*:1] C[C@@H]1C[C@@H]1NC(=O)N[C@@H](c1ccccc1)[*:1]
C[C@@H]1C[C@@H]1NC(=O)N[C@@H](CCCO)c1ccccc1 C[C@@H]1C[C@H]1[*:1] O=C(N[C@@H](CCCO)c1ccccc1)N[*:1]
C[C@@H]1C[C@@H]1NC(=O)N[C@@H](CCCO)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1NC(=O)N[C@@H](CCCO)[*:1]
C[C@@H]1C[C@@H]1NC(=O)N[C@@H](CCCO)c1ccccc1 OCC[*:1] C[C@@H]1C[C@@H]1NC(=O)N[C@@H](C[*:1])c1ccccc1
CCCC(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C CCCC(=O)N[*:1] C[NH+](C)[C@@H](C[*:1])c1ccc2OCOc2c1
CCCC(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C CCC[*:1] C[NH+](C)[C@@H](CNC(=O)[*:1])c1ccc2OCOc2c1
C[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccc[nH]2)C[C@H](C)O1 c1c[nH]c(c1)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)CCNC(=O)[*:1]
Cc1ncc([C@H](C)N[C@@H](C)C(C)(C)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ncc(s1)[C@H](C)N[C@@H](C)C(C)(C)[*:1]
Cc1ncc([C@H](C)N[C@@H](C)C(C)(C)c2ccccc2)s1 Cc1ncc(s1)[*:1] C[C@H](N[C@@H](C)[*:1])C(C)(C)c1ccccc1
O=C1CN(C(=O)C[NH+]2CCCCC2)[C@@H](c2ccccc2)c2cc(Br)ccc2N1 c1ccc(cc1)[*:1] O=C1CN(C(=O)C[NH+]2CCCCC2)[C@@H](c2cc(Br)ccc2N1)[*:1]
CCN(Cc1cn(-c2ccc(Br)cc2)nc1C)C[C@H](C)C#N Brc1ccc(cc1)[*:1] CCN(Cc1cn(nc1C)[*:1])C[C@H](C)C#N
CCN(Cc1cn(-c2ccc(Br)cc2)nc1C)C[C@H](C)C#N C[C@H](C#N)C[*:1] CCN(Cc1cn(nc1C)-c1ccc(Br)cc1)[*:1]
COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 Clc1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)C[*:1]
COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(cc1[*:1])NC(=O)Cc1ccc(Cl)cc1
COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)[*:1]
CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1 NC(=O)[*:1] CC(C)(C)C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1 CC(C)(C)C(=O)N[*:1] NC(=O)c1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1 CC(C)(C)[*:1] NC(=O)c1cccc(c1)NC(=O)c1cccc(c1)NC(=O)[*:1]
[NH3+][C@H]1CCCCC[C@@H]1C(=O)N[C@@H](CCO)C(=O)[O-] OCC[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])[*:1]
[NH3+][C@H]1CCCCC[C@@H]1C(=O)N[C@@H](CCO)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)N[C@@H](CCO)[*:1]
C[C@@H](C#N)CN(C)Cc1c(F)cccc1Cl C[C@@H](C#N)[*:1] CN(Cc1c(F)cccc1Cl)C[*:1]
C[C@@H](C#N)CN(C)Cc1c(F)cccc1Cl C[C@@H](C#N)C[*:1] CN(Cc1c(F)cccc1Cl)[*:1]
C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)N[*:1]
O=C(Nc1ccc(F)cc1)c1c[nH]c(=O)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)c1c[nH]c(=O)n(c1=O)[*:1]
O=C(Nc1ccc(F)cc1)c1c[nH]c(=O)n(-c2ccccc2)c1=O Fc1ccc(cc1)[*:1] O=C(N[*:1])c1c[nH]c(=O)n(-c2ccccc2)c1=O
O=C(NCC[NH+]1CCCC1)[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(NCC[NH+]1CCCC1)[C@H]1CCN(C1=O)[*:1]
C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCNC(=O)c1cccs1 c1csc(c1)[*:1] C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCNC(=O)[*:1]
C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCNC(=O)c1cccs1 O=C(N[*:1])c1cccs1 C[C@@H]1CN(C)c2ccccc2CN1C(=O)CC[*:1]
CCOC[C@@H](O)C[C@]1(C(=O)[O-])CCc2ccccc21 O=C([O-])[*:1] CCOC[C@@H](O)C[C@@]1(CCc2ccccc21)[*:1]
CCOC[C@@H](O)C[C@]1(C(=O)[O-])CCc2ccccc21 CCOC[C@@H](O)[*:1] O=C([O-])[C@]1(CCc2ccccc21)C[*:1]
CCOC[C@@H](O)C[C@]1(C(=O)[O-])CCc2ccccc21 CCOC[*:1] O=C([O-])[C@]1(CCc2ccccc21)C[C@H](O)[*:1]
CCOC[C@@H](O)C[C@]1(C(=O)[O-])CCc2ccccc21 CCO[*:1] O=C([O-])[C@]1(CCc2ccccc21)C[C@H](O)C[*:1]
C[NH2+][C@H]1CCCC[C@@H]1c1nc(CCC(F)(F)F)no1 FC(F)(F)C[*:1] C[NH2+][C@H]1CCCC[C@@H]1c1nc(C[*:1])no1
C[NH2+][C@H]1CCCC[C@@H]1c1nc(CCC(F)(F)F)no1 FC(F)(F)[*:1] C[NH2+][C@H]1CCCC[C@@H]1c1nc(CC[*:1])no1
C[NH2+][C@H]1CCCC[C@@H]1c1nc(CCC(F)(F)F)no1 FC(F)(F)CC[*:1] C[NH2+][C@H]1CCCC[C@@H]1c1nc(no1)[*:1]
CC[C@H](C)N(C)C(=O)NCc1ccc(OC)c(OC(F)F)c1 FC(F)O[*:1] CC[C@H](C)N(C)C(=O)NCc1ccc(OC)c(c1)[*:1]
CC[C@H](C)N(C)C(=O)NCc1ccc(OC)c(OC(F)F)c1 CC[C@H](C)[*:1] COc1ccc(cc1OC(F)F)CNC(=O)N(C)[*:1]
CC[C@H](C)N(C)C(=O)NCc1ccc(OC)c(OC(F)F)c1 FC(F)[*:1] CC[C@H](C)N(C)C(=O)NCc1ccc(OC)c(c1)O[*:1]
COc1ccc(OC)c2sc(N(Cc3ccccc3)C(=O)c3ccc4c(c3)OCO4)nc12 c1ccc(cc1)C[*:1] COc1ccc(OC)c2sc(nc12)N(C(=O)c1ccc2OCOc2c1)[*:1]
COc1ccc(OC)c2sc(N(Cc3ccccc3)C(=O)c3ccc4c(c3)OCO4)nc12 c1ccc(cc1)[*:1] COc1ccc(OC)c2sc(nc12)N(C[*:1])C(=O)c1ccc2OCOc2c1
COc1ccc(OC)c2sc(N(Cc3ccccc3)C(=O)c3ccc4c(c3)OCO4)nc12 c1cc2OCOc2cc1[*:1] COc1ccc(OC)c2sc(nc12)N(Cc1ccccc1)C(=O)[*:1]
CC1(C)Cc2cc(C[NH2+][C@H](CCO)c3ccccc3)ccc2O1 c1ccc(cc1)[*:1] CC1(C)Cc2cc(ccc2O1)C[NH2+][C@H](CCO)[*:1]
CC1(C)Cc2cc(C[NH2+][C@H](CCO)c3ccccc3)ccc2O1 OCC[*:1] CC1(C)Cc2cc(ccc2O1)C[NH2+][C@H](c1ccccc1)[*:1]
Cc1cc(S(=O)(=O)N(C[C@@H](C)O)C2CCCCC2)sc1C C[C@@H](O)[*:1] Cc1cc(sc1C)S(=O)(=O)N(C[*:1])C1CCCCC1
Cc1cc(S(=O)(=O)N(C[C@@H](C)O)C2CCCCC2)sc1C C1CCC(CC1)[*:1] Cc1cc(sc1C)S(=O)(=O)N(C[C@@H](C)O)[*:1]
Cc1cc(S(=O)(=O)N(C[C@@H](C)O)C2CCCCC2)sc1C Cc1cc(sc1C)[*:1] C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)[*:1]
Cc1cc(S(=O)(=O)N(C[C@@H](C)O)C2CCCCC2)sc1C C[C@@H](O)C[*:1] Cc1cc(sc1C)S(=O)(=O)N(C1CCCCC1)[*:1]
COC(=O)c1cc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)[C@H](C)Oc1ccc(C#N)cc1
COC(=O)c1cc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)oc1C N#Cc1ccc(cc1)[*:1] COC(=O)c1cc(CNC(=O)[C@H](C)O[*:1])oc1C
Cc1cccc(-c2ncc(CN3CC[NH+](CCc4ccncc4)CC3)cn2)c1 c1cc(ccn1)[*:1] Cc1cccc(c1)-c1ncc(cn1)CN1CC[NH+](CC1)CC[*:1]
Cc1cccc(-c2ncc(CN3CC[NH+](CCc4ccncc4)CC3)cn2)c1 c1cc(ccn1)CC[*:1] Cc1cccc(c1)-c1ncc(cn1)CN1CC[NH+](CC1)[*:1]
Cc1cccc(-c2ncc(CN3CC[NH+](CCc4ccncc4)CC3)cn2)c1 c1cc(ccn1)C[*:1] Cc1cccc(c1)-c1ncc(cn1)CN1CC[NH+](CC1)C[*:1]
Cc1cccc(-c2ncc(CN3CC[NH+](CCc4ccncc4)CC3)cn2)c1 Cc1cccc(c1)[*:1] c1cc(ccn1)CC[NH+]1CCN(CC1)Cc1cnc(nc1)[*:1]
Cc1ccc(C(=O)Nc2ccccc2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccccc1
Cc1ccc(C(=O)Nc2ccccc2)cc1S(N)(=O)=O c1ccc(cc1)[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)N[*:1]
COC(=O)c1sccc1N(C)S(C)(=O)=O COC(=O)[*:1] CN(c1ccsc1[*:1])S(C)(=O)=O
CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2cc(Cl)ccc2SC)CC1 CC[C@@H](C)[*:1] CSc1ccc(Cl)cc1NC(=O)N1CCN(CC1)CC(=O)N[*:1]
CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2cc(Cl)ccc2SC)CC1 CC[C@@H](C)NC(=O)C[*:1] CSc1ccc(Cl)cc1NC(=O)N1CCN(CC1)[*:1]
CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2cc(Cl)ccc2SC)CC1 CC[C@@H](C)NC(=O)[*:1] CSc1ccc(Cl)cc1NC(=O)N1CCN(CC1)C[*:1]
CCc1nn(C)c(Cn2ccc([C@H](C)O)c2)c1Cl C[C@H](O)[*:1] CCc1nn(C)c(Cn2ccc(c2)[*:1])c1Cl
Clc1cnccc1-c1nc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Clc1cnccc1-c1nc(n[nH]1)[*:1]
CN1C(=O)[C@@H]2C(=N/C(=N/N=C/C3=c4ccccc4=[NH+]C3)N2Cc2ccc(Cl)cc2)N(C)C1=O Clc1ccc(cc1)C[*:1] CN1C(=O)[C@@H]2C(=N/C(=N/N=C/C3C[NH+]=c4ccccc4=3)N2[*:1])N(C)C1=O
CN1C(=O)[C@@H]2C(=N/C(=N/N=C/C3=c4ccccc4=[NH+]C3)N2Cc2ccc(Cl)cc2)N(C)C1=O Clc1ccc(cc1)[*:1] CN1C(=O)[C@@H]2C(=N/C(=N/N=C/C3C[NH+]=c4ccccc4=3)N2C[*:1])N(C)C1=O
Cc1cc(C)c(CNC(=O)CCc2cnn(C)c2)c(=O)[nH]1 Cn1cc(cn1)C[*:1] Cc1cc(C)c(CNC(=O)C[*:1])c(=O)[nH]1
Cc1cc(C)c(CNC(=O)CCc2cnn(C)c2)c(=O)[nH]1 Cn1cc(cn1)[*:1] Cc1cc(C)c(CNC(=O)CC[*:1])c(=O)[nH]1
CC1CC[NH+](CCc2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3n2C)CC1 O=[N+]([O-])c1cccc(c1)[*:1] CC1CC[NH+](CCc2nc3cc(ccc3n2C)NC(=O)[*:1])CC1
CC1CC[NH+](CCc2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3n2C)CC1 O=[N+]([O-])[*:1] CC1CC[NH+](CCc2nc3cc(ccc3n2C)NC(=O)c2cccc(c2)[*:1])CC1
CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)[*:1]
COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C)C1 C1CC1[*:1] COC(=O)c1c(csc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C)C1)[*:1]
COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C)C1 COC(=O)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1scc(c1[*:1])C1CC1
Cc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(C(C)C)cc2)o1 CC(C)[*:1] Cc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(cc2)[*:1])o1
Cc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(C(C)C)cc2)o1 Cc1ccc(C[*:1])o1 CC(C)c1ccc(cc1)NC(=O)N(C[C@H]1CCCO1)[*:1]
Cc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(C(C)C)cc2)o1 Cc1ccc(o1)[*:1] CC(C)c1ccc(cc1)NC(=O)N(C[C@H]1CCCO1)C[*:1]
COC(=O)c1ccc(CN(C)C(=O)Nc2cc(C)cc3cccnc23)cc1 COC(=O)[*:1] Cc1cc(NC(=O)N(C)Cc2ccc(cc2)[*:1])c2ncccc2c1
FC(F)(F)c1ccc2nc(C(F)(F)F)cc(N3CCC[NH2+]CC3)c2c1 FC(F)(F)[*:1] FC(F)(F)c1ccc2nc(cc(c2c1)N1CCC[NH2+]CC1)[*:1]
FC(F)(F)c1ccc2nc(C(F)(F)F)cc(N3CCC[NH2+]CC3)c2c1 FC(F)(F)[*:1] FC(F)(F)c1cc(c2cc(ccc2n1)[*:1])N1CCC[NH2+]CC1
COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)Cc3cc(C)ccc3C)nc12 c1cncc(c1)C[*:1] COc1ccc(OC)c2sc(nc12)N(C(=O)Cc1cc(C)ccc1C)[*:1]
COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)Cc3cc(C)ccc3C)nc12 Cc1ccc(C)c(c1)C[*:1] COc1ccc(OC)c2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)Cc3cc(C)ccc3C)nc12 c1cncc(c1)[*:1] COc1ccc(OC)c2sc(nc12)N(C[*:1])C(=O)Cc1cc(C)ccc1C
COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)Cc3cc(C)ccc3C)nc12 Cc1ccc(C)c(c1)[*:1] COc1ccc(OC)c2sc(nc12)N(Cc1cccnc1)C(=O)C[*:1]
C[C@H]1SCCN(Cc2cncs2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1SCCN(Cc2cncs2)[C@@H]1[*:1]
C[C@H]1SCCN(Cc2cncs2)[C@H]1c1ccccc1 c1ncc(C[*:1])s1 C[C@H]1SCCN([C@H]1c1ccccc1)[*:1]
C[C@H]1SCCN(Cc2cncs2)[C@H]1c1ccccc1 c1ncc(s1)[*:1] C[C@H]1SCCN(C[*:1])[C@H]1c1ccccc1
CCN(CCC(=O)OC)C(=O)c1csc2c1CCCC2 COC(=O)CC[*:1] CCN(C(=O)c1csc2CCCCc12)[*:1]
CCN(CCC(=O)OC)C(=O)c1csc2c1CCCC2 COC(=O)[*:1] CCN(CC[*:1])C(=O)c1csc2CCCCc12
CCN(CCC(=O)OC)C(=O)c1csc2c1CCCC2 COC(=O)C[*:1] CCN(C[*:1])C(=O)c1csc2CCCCc12
COc1ccccc1CNC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 COc1ccccc1[*:1] C[C@@H](NC(=O)NC[*:1])c1cccc(c1)C(F)(F)F
COc1ccccc1CNC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccccc1CNC(=O)N[C@H](C)c1cccc(c1)[*:1]
O=C(CCCCO)NCc1cccc2ccccc12 OCCC[*:1] O=C(C[*:1])NCc1cccc2ccccc12
O=C(CCCCO)NCc1cccc2ccccc12 OCCCC[*:1] O=C(NCc1cccc2ccccc12)[*:1]
O=C(CCCCO)NCc1cccc2ccccc12 OCC[*:1] O=C(CC[*:1])NCc1cccc2ccccc12
COc1cccc([C@H](CNC(=O)Nc2ccc(OC)c(F)c2)[NH+](C)C)c1 COc1cccc(c1)[*:1] COc1ccc(cc1F)NC(=O)NC[C@H]([NH+](C)C)[*:1]
C[S@](=O)c1cccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] C[S@](=O)c1cccc(c1)NC(=O)NCCc1cccc(c1)[*:1]
Cc1ccc(C[C@@H](C)N(C)C(=O)c2cc(F)ccc2O)cc1 Cc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1cc(F)ccc1O
CCCNC(=O)N1CCC(C(=O)Nc2nncs2)CC1 c1nnc(s1)[*:1] CCCNC(=O)N1CCC(CC1)C(=O)N[*:1]
CCCNC(=O)N1CCC(C(=O)Nc2nncs2)CC1 CCC[*:1] O=C(Nc1nncs1)C1CCN(CC1)C(=O)N[*:1]
CC(C)c1ncc(C[NH+]2CCC(N3CCCNC3=O)CC2)s1 O=C1NCCCN1[*:1] CC(C)c1ncc(C[NH+]2CCC(CC2)[*:1])s1
CC(C)c1ncc(C[NH+]2CCC(N3CCCNC3=O)CC2)s1 CC(C)[*:1] O=C1NCCCN1C1CC[NH+](CC1)Cc1cnc(s1)[*:1]
C[C@@H]1C[C@](CCO)([C@@H](C)[NH3+])CS1 OCC[*:1] C[C@@H]1C[C@@](CS1)([C@@H](C)[NH3+])[*:1]
O=C([O-])C[C@@H]1NCCc2c(Br)cccc21 O=C([O-])C[*:1] Brc1cccc2c1CCN[C@H]2[*:1]
O=C([O-])C[C@@H]1NCCc2c(Br)cccc21 O=C([O-])[*:1] Brc1cccc2c1CCN[C@H]2C[*:1]
CCc1ccc(C(=O)NCC2(CO)CC2)cc1 OCC1(CC1)[*:1] CCc1ccc(cc1)C(=O)NC[*:1]
C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3)CC1)C2=O Fc1ccc(cc1)[*:1] C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(CC1)[*:1])C2=O
C[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@@H]1N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccc2nncn2c1
C[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)Cn1cc[nH+]c1 c1cc(cc[nH+]1)N[*:1] C[C@@H](CNC(=O)c1ccc(cc1)[*:1])Cn1cc[nH+]c1
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccco2)cc1 COc1ccc(cc1)[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@H](C=21)c1ccco1)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2[*:1]
C[C@@H](NC(=O)CO/N=C(/N)Cn1cccn1)c1ccc(F)cc1 c1cnn(c1)C[*:1] C[C@@H](NC(=O)CO/N=C(/N)[*:1])c1ccc(F)cc1
C[C@@H](NC(=O)CO/N=C(/N)Cn1cccn1)c1ccc(F)cc1 c1cnn(c1)[*:1] C[C@@H](NC(=O)CO/N=C(/N)C[*:1])c1ccc(F)cc1
C[C@@H](NC(=O)CO/N=C(/N)Cn1cccn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CO/N=C(/N)Cn1cccn1)[*:1]
O=C(N/N=C/c1coc2ccccc2c1=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(N/N=C/c1coc2ccccc2c1=O)[*:1]
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O COc1ccccc1[*:1] CC(C)C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O CC(C)[*:1] COc1ccccc1CN1C(=O)[C@@H]2[C@H](C[*:1])N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O CC(C)C[*:1] COc1ccccc1CN1C(=O)[C@@H]2[C@H](N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O)[*:1]
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O COc1ccccc1C[*:1] CC(C)C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
Cc1nnc(-c2cccc(C(=O)N3CCCN(CC(F)(F)F)CC3)c2)o1 FC(F)(F)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)N1CCCN(CC1)C[*:1]
Cc1nnc(-c2cccc(C(=O)N3CCCN(CC(F)(F)F)CC3)c2)o1 FC(F)(F)C[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)N1CCCN(CC1)[*:1]
Cc1nnc(-c2cccc(C(=O)N3CCCN(CC(F)(F)F)CC3)c2)o1 Cc1nnc(o1)[*:1] O=C(c1cccc(c1)[*:1])N1CCCN(CC1)CC(F)(F)F
Cn1cccc1C(=O)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 Cn1cccc1[*:1] O=C(C(=O)[*:1])N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1
Cn1cccc1C(=O)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 C1CC1[*:1] Cn1cccc1C(=O)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
C[C@H](Sc1ccccn1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1ccccn1)C(=O)N[C@H](C(=O)[O-])[*:1]
C[C@H](Sc1ccccn1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1
C[C@H](Sc1ccccn1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 c1ccc(nc1)S[*:1] C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)[*:1]
C[C@H](Sc1ccccn1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 O=C([O-])[*:1] C[C@H](Sc1ccccn1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC(C)c1ccc(NC(=O)C(=O)NCC2(CO)CC2)cc1 OCC1(CC1)C[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)N[*:1]
CC(C)c1ccc(NC(=O)C(=O)NCC2(CO)CC2)cc1 CC(C)[*:1] O=C(NCC1(CO)CC1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)C(=O)NCC2(CO)CC2)cc1 OCC1(CC1)[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
O=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O)N1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(C[C@@H]1O[C@H](CNS(=O)(=O)[*:1])[C@@H](O)[C@H]1O)N1CCN(CC1)c1ccc(F)cc1
O=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O)N1CCN(c2ccc(F)cc2)CC1 O=S(=O)(NC[*:1])c1ccccc1 O=C(C[C@@H]1O[C@H]([C@@H](O)[C@H]1O)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O)N1CCN(c2ccc(F)cc2)CC1 O=S(=O)(N[*:1])c1ccccc1 O=C(C[C@@H]1O[C@H](C[*:1])[C@@H](O)[C@H]1O)N1CCN(CC1)c1ccc(F)cc1
O=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O)N1CCN(CC1)[*:1]
C[C@H]1[C@H]([NH+](CC(=O)[O-])CC(=O)[O-])C[C@@H]2C[C@H]1C2(C)C O=C([O-])C[*:1] C[C@H]1[C@@H](C[C@@H]2C[C@H]1C2(C)C)[NH+](CC(=O)[O-])[*:1]
C[C@H]1[C@H]([NH+](CC(=O)[O-])CC(=O)[O-])C[C@@H]2C[C@H]1C2(C)C O=C([O-])[*:1] C[C@H]1[C@@H](C[C@@H]2C[C@H]1C2(C)C)[NH+](CC(=O)[O-])C[*:1]
CCCS(=O)(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C CCC[*:1] Cc1ccc(cc1)[C@@H](CNS(=O)(=O)[*:1])[NH+](C)C
C[C@H](Cn1cccn1)OC(=O)c1scnc1C1CC1 c1cnn(c1)[*:1] C[C@H](C[*:1])OC(=O)c1scnc1C1CC1
C[C@H](Cn1cccn1)OC(=O)c1scnc1C1CC1 C1CC1[*:1] C[C@H](Cn1cccn1)OC(=O)c1scnc1[*:1]
C[C@H](Cn1cccn1)OC(=O)c1scnc1C1CC1 c1cnn(c1)C[*:1] C[C@H](OC(=O)c1scnc1C1CC1)[*:1]
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc2ccccc2c1 c1coc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1ccc2ccccc2c1
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1cccc(C(N)=O)c1 NC(=O)[*:1] Cc1ccc(cc1NC(=O)NCc1cccc(c1)[*:1])C(=O)NC1CC1
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1cccc(C(N)=O)c1 O=C(NC1CC1)[*:1] Cc1ccc(cc1NC(=O)NCc1cccc(c1)C(N)=O)[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1cccc(C(N)=O)c1 NC(=O)c1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])C(=O)NC1CC1
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1cccc(C(N)=O)c1 C1CC1[*:1] Cc1ccc(cc1NC(=O)NCc1cccc(c1)C(N)=O)C(=O)N[*:1]
COCC(=O)N1CCC[C@H]1c1cc(Nc2ncccc2C)nc(C)n1 Cc1cccnc1N[*:1] COCC(=O)N1CCC[C@H]1c1cc(nc(C)n1)[*:1]
COCC(=O)N1CCC[C@H]1c1cc(Nc2ncccc2C)nc(C)n1 COC[*:1] Cc1nc(cc(n1)[C@@H]1CCCN1C(=O)[*:1])Nc1ncccc1C
COCC(=O)N1CCC[C@H]1c1cc(Nc2ncccc2C)nc(C)n1 Cc1cccnc1[*:1] COCC(=O)N1CCC[C@H]1c1cc(nc(C)n1)N[*:1]
Cc1ccccc1CSCCNC(=O)/C=C/c1ccc2c(c1)OCO2 Cc1ccccc1C[*:1] O=C(/C=C/c1ccc2OCOc2c1)NCCS[*:1]
Cc1ccccc1CSCCNC(=O)/C=C/c1ccc2c(c1)OCO2 Cc1ccccc1[*:1] O=C(/C=C/c1ccc2OCOc2c1)NCCSC[*:1]
C[NH+](CCNC(=O)c1ccc(Br)nc1)C1CCCC1 C1CCC(C1)[*:1] C[NH+](CCNC(=O)c1ccc(Br)nc1)[*:1]
Cc1[nH+]c(N(C)CCc2nccs2)ccc1I c1csc(n1)[*:1] Cc1[nH+]c(ccc1I)N(C)CC[*:1]
Cc1ccc([C@@H](O)CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 Cc1ccc(cc1)[*:1] Cn1c(NC[C@H](O)[*:1])c(C#N)c(=O)n(C)c1=O
Cn1cnnc1-c1cccc(NC(=O)C(=O)NC2CCC(C)(C)CC2)c1 Cn1cnnc1[*:1] CC1(C)CCC(CC1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cn1cnnc1-c1cccc(NC(=O)C(=O)NC2CCC(C)(C)CC2)c1 CC1(C)CCC(CC1)[*:1] Cn1cnnc1-c1cccc(c1)NC(=O)C(=O)N[*:1]
CC(C)[C@H](C)NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 CC(C)[C@H](C)[*:1] O=C(CSc1nc2CCCCc2n1-c1ccccc1)N[*:1]
CC(C)[C@H](C)NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 c1ccc(cc1)[*:1] CC(C)[C@H](C)NC(=O)CSc1nc2CCCCc2n1[*:1]
CC(C)[C@H](C)NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 CC(C)[*:1] C[C@H](NC(=O)CSc1nc2CCCCc2n1-c1ccccc1)[*:1]
CC(C)[C@H](C)NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 CC(C)[C@H](C)NC(=O)[*:1] c1ccc(cc1)-n1c(nc2CCCCc21)SC[*:1]
CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 NC(=O)N[*:1] CCC[C@@H](C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 CCC[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)[C@H](NC(N)=O)[*:1]
Cc1nn(C)c(C)c1CC(=O)Nc1ccc(OC2CCCC2)c(F)c1 C1CCC(C1)O[*:1] Cc1nn(C)c(C)c1CC(=O)Nc1ccc(c(F)c1)[*:1]
Cc1nn(C)c(C)c1CC(=O)Nc1ccc(OC2CCCC2)c(F)c1 Cc1nn(C)c(C)c1[*:1] O=C(C[*:1])Nc1ccc(OC2CCCC2)c(F)c1
Cc1nn(C)c(C)c1CC(=O)Nc1ccc(OC2CCCC2)c(F)c1 C1CCC(C1)[*:1] Cc1nn(C)c(C)c1CC(=O)Nc1ccc(O[*:1])c(F)c1
CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC(=O)NC1CC1 CC(C)[*:1] C[C@@H]1CC[C@@H]([C@@H](C1)[NH2+]CCCC(=O)NC1CC1)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC(=O)NC1CC1 O=C(NC1CC1)[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC(=O)NC1CC1 C1CC1[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC(=O)N[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1Cl COc1ccc(cc1Cl)[*:1] COc1ccccc1[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1cc(C)on1
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1Cl Cc1cc(no1)[*:1] COc1ccc(cc1Cl)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1OC)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1Cl COc1ccccc1[*:1] COc1ccc(cc1Cl)C(=O)C1=C([O-])C(=O)N(c2cc(C)on2)[C@@H]1[*:1]
C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2)CC1 c1ccc(cc1)O[*:1] C[NH+]1CCN(CC1)C(=O)c1ccccc1NC(=O)C[*:1]
C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccccc1NC(=O)CO[*:1]
C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2)CC1 c1ccc(cc1)OC[*:1] C[NH+]1CCN(CC1)C(=O)c1ccccc1NC(=O)[*:1]
COCc1nc(C)cc(N[C@H](C)c2cccc(-n3cncn3)c2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N[C@H](C)c1cccc(c1)-n1cncn1
COCc1nc(C)cc(N[C@H](C)c2cccc(-n3cncn3)c2)n1 c1ncn(n1)[*:1] COCc1nc(C)cc(n1)N[C@H](C)c1cccc(c1)[*:1]
[NH3+][C@@H]1C[C@@H]1NC(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] [NH3+][C@@H]1C[C@@H]1NC(=O)c1n[nH]c(n1)[*:1]
CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2C)C1=O CCO[*:1] C[C@H]1CCCCN1C(=O)CN1C(=O)C(=O)N(C1=O)c1ccccc1[*:1]
CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2C)C1=O CCOc1ccccc1[*:1] C[C@H]1CCCCN1C(=O)CN1C(=O)C(=O)N(C1=O)[*:1]
CCc1c(C(=O)NC[C@]2(O)CCCc3ccccc32)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)NC[C@]1(O)CCCc2ccccc21
O=C(NCCc1nnc(-c2ccccc2)o1)N[C@H]1CCCC[C@@H]1O c1ccc(cc1)[*:1] O=C(NCCc1nnc(o1)[*:1])N[C@H]1CCCC[C@@H]1O
Cc1csc(CCCNC(=O)Nc2cnn(CC(=O)N(C)C)c2)n1 CN(C)C(=O)C[*:1] Cc1csc(CCCNC(=O)Nc2cnn(c2)[*:1])n1
Cc1csc(CCCNC(=O)Nc2cnn(CC(=O)N(C)C)c2)n1 CN(C)C(=O)[*:1] Cc1csc(CCCNC(=O)Nc2cnn(c2)C[*:1])n1
Cc1csc(CCCNC(=O)Nc2cnn(CC(=O)N(C)C)c2)n1 Cc1csc(C[*:1])n1 CN(C)C(=O)Cn1cc(cn1)NC(=O)NCC[*:1]
Cc1csc(CCCNC(=O)Nc2cnn(CC(=O)N(C)C)c2)n1 Cc1csc(n1)[*:1] CN(C)C(=O)Cn1cc(cn1)NC(=O)NCCC[*:1]
Cc1csc(CCCNC(=O)Nc2cnn(CC(=O)N(C)C)c2)n1 Cc1csc(CC[*:1])n1 CN(C)C(=O)Cn1cc(cn1)NC(=O)NC[*:1]
Cc1sc2nc(SCC(=O)Nc3ccc(OC(F)F)cc3)n(C)c(=O)c2c1C FC(F)O[*:1] Cc1sc2nc(SCC(=O)Nc3ccc(cc3)[*:1])n(C)c(=O)c2c1C
Cc1sc2nc(SCC(=O)Nc3ccc(OC(F)F)cc3)n(C)c(=O)c2c1C FC(F)[*:1] Cc1sc2nc(SCC(=O)Nc3ccc(cc3)O[*:1])n(C)c(=O)c2c1C
CCN(CC)c1cc(C)c2cc(NC(=O)COc3ccc(F)cc3)ccc2[nH+]1 Fc1ccc(cc1)OC[*:1] CCN(CC)c1cc(C)c2cc(ccc2[nH+]1)NC(=O)[*:1]
CCN(CC)c1cc(C)c2cc(NC(=O)COc3ccc(F)cc3)ccc2[nH+]1 Fc1ccc(cc1)[*:1] CCN(CC)c1cc(C)c2cc(ccc2[nH+]1)NC(=O)CO[*:1]
CCN(CC)c1cc(C)c2cc(NC(=O)COc3ccc(F)cc3)ccc2[nH+]1 CCN(CC)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)COc1ccc(F)cc1)[*:1]
CCN(CC)c1cc(C)c2cc(NC(=O)COc3ccc(F)cc3)ccc2[nH+]1 Fc1ccc(cc1)O[*:1] CCN(CC)c1cc(C)c2cc(ccc2[nH+]1)NC(=O)C[*:1]
CC(C)(CNC(=O)c1ccc(OC(F)(F)F)cc1)N1CCOCC1 FC(F)(F)O[*:1] CC(C)(CNC(=O)c1ccc(cc1)[*:1])N1CCOCC1
CC(C)(CNC(=O)c1ccc(OC(F)(F)F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)c1ccc(cc1)OC(F)(F)F)[*:1]
CC(C)(CNC(=O)c1ccc(OC(F)(F)F)cc1)N1CCOCC1 FC(F)(F)[*:1] CC(C)(CNC(=O)c1ccc(cc1)O[*:1])N1CCOCC1
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)CC(C)(C)C)CCC2=O)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)NNC(=O)C[*:1]
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)CC(C)(C)C)CCC2=O)cc1C CC(C)(C)C[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)NNC(=O)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)CC(C)(C)C)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] CC(C)(C)CC(=O)NNC(=O)[C@H]1CCC(=O)N(C1)[*:1]
Cc1ccc(Cn2ccc(NC(=O)c3ccn(COc4ccccc4Cl)n3)n2)cc1 Clc1ccccc1OC[*:1] Cc1ccc(cc1)Cn1ccc(n1)NC(=O)c1ccn(n1)[*:1]
Cc1ccc(Cn2ccc(NC(=O)c3ccn(COc4ccccc4Cl)n3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccn(C[*:1])n1)c1ccn(COc2ccccc2Cl)n1
Cc1ccc(Cn2ccc(NC(=O)c3ccn(COc4ccccc4Cl)n3)n2)cc1 Clc1ccccc1O[*:1] Cc1ccc(cc1)Cn1ccc(n1)NC(=O)c1ccn(C[*:1])n1
Cc1ccc(Cn2ccc(NC(=O)c3ccn(COc4ccccc4Cl)n3)n2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)Cn1ccc(n1)NC(=O)c1ccn(CO[*:1])n1
Cc1ccc(Cn2ccc(NC(=O)c3ccn(COc4ccccc4Cl)n3)n2)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1ccn(n1)[*:1])c1ccn(COc2ccccc2Cl)n1
CCCNc1ncnc(Nc2nc(C)c(C)s2)c1N CCCN[*:1] Cc1nc(Nc2ncnc(c2N)[*:1])sc1C
CCCNc1ncnc(Nc2nc(C)c(C)s2)c1N CCC[*:1] Cc1nc(Nc2ncnc(N[*:1])c2N)sc1C
CCC[C@@H](O)[C@]1(C#N)CC[C@H](CC)C1 CCC[*:1] CC[C@H]1CC[C@](C#N)(C1)[C@H](O)[*:1]
CNC(=O)c1ccc(NCCCc2cccc(Br)c2)[nH+]n1 Brc1cccc(c1)[*:1] CNC(=O)c1ccc(NCCC[*:1])[nH+]n1
CNC(=O)c1ccc(NCCCc2cccc(Br)c2)[nH+]n1 CNC(=O)[*:1] Brc1cccc(c1)CCCNc1ccc(n[nH+]1)[*:1]
CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C CC(=O)OCC(=O)[*:1] C[C@]12C[C@H](O)[C@@]3(Cl)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC=C2[*:1]
CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C CC(=O)OC[*:1] C[C@]12C[C@H](O)[C@@]3(Cl)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC=C2C(=O)[*:1]
CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C CC(=O)O[*:1] C[C@]12C[C@H](O)[C@@]3(Cl)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC=C2C(=O)C[*:1]
Cc1ccc(-c2cncc(-c3cc(NCCCn4ccnc4)nc(C)n3)c2)cc1 c1cn(cn1)[*:1] Cc1ccc(cc1)-c1cncc(c1)-c1cc(nc(C)n1)NCCC[*:1]
Cc1ccc(-c2cncc(-c3cc(NCCCn4ccnc4)nc(C)n3)c2)cc1 c1cn(cn1)CC[*:1] Cc1ccc(cc1)-c1cncc(c1)-c1cc(nc(C)n1)NC[*:1]
Cc1ccc(-c2cncc(-c3cc(NCCCn4ccnc4)nc(C)n3)c2)cc1 c1cn(cn1)CCCN[*:1] Cc1ccc(cc1)-c1cncc(c1)-c1cc(nc(C)n1)[*:1]
Cc1ccc(-c2cncc(-c3cc(NCCCn4ccnc4)nc(C)n3)c2)cc1 c1cn(cn1)C[*:1] Cc1ccc(cc1)-c1cncc(c1)-c1cc(nc(C)n1)NCC[*:1]
Cc1ccc(-c2cncc(-c3cc(NCCCn4ccnc4)nc(C)n3)c2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(cc(n1)-c1cncc(c1)[*:1])NCCCn1ccnc1
Cc1ccc(-c2cncc(-c3cc(NCCCn4ccnc4)nc(C)n3)c2)cc1 c1cn(cn1)CCC[*:1] Cc1ccc(cc1)-c1cncc(c1)-c1cc(nc(C)n1)N[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cc(-n3cccn3)nc(N)n2)C1 CC(C)(C)[*:1] Nc1nc(cc(n1)-n1cccn1)N1CCC[C@@H](CNC(=O)O[*:1])C1
CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cc(-n3cccn3)nc(N)n2)C1 CC(C)(C)OC(=O)N[*:1] Nc1nc(cc(n1)-n1cccn1)N1CCC[C@H](C1)C[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cc(-n3cccn3)nc(N)n2)C1 CC(C)(C)OC(=O)NC[*:1] Nc1nc(cc(n1)-n1cccn1)N1CCC[C@H](C1)[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cc(-n3cccn3)nc(N)n2)C1 c1cnn(c1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)c1cc(nc(N)n1)[*:1]
C[C@@H](CNC(=O)Nc1ccccn1)CC1(C)OCCO1 CC1(OCCO1)[*:1] C[C@@H](CNC(=O)Nc1ccccn1)C[*:1]
C[C@@H](CNC(=O)Nc1ccccn1)CC1(C)OCCO1 c1ccc(nc1)[*:1] C[C@@H](CNC(=O)N[*:1])CC1(C)OCCO1
COCc1nc2cc(NC(=O)c3sccc3OC)ccc2o1 COc1ccsc1[*:1] COCc1nc2cc(ccc2o1)NC(=O)[*:1]
COCc1nc2cc(NC(=O)c3sccc3OC)ccc2o1 COC[*:1] COc1ccsc1C(=O)Nc1ccc2oc(nc2c1)[*:1]
CCC1(CC)[C@@H](NC(=O)Cc2c(C)noc2C)[C@H](C)[C@@H]1OC Cc1noc(C)c1[*:1] CCC1(CC)[C@@H](NC(=O)C[*:1])[C@H](C)[C@@H]1OC
Cc1ccc(CNC(=O)COC(=O)c2ccccc2Br)cc1 Cc1ccc(cc1)[*:1] O=C(COC(=O)c1ccccc1Br)NC[*:1]
Cc1ccc(CNC(=O)COC(=O)c2ccccc2Br)cc1 Brc1ccccc1[*:1] Cc1ccc(cc1)CNC(=O)COC(=O)[*:1]
CCc1cc(Cn2ccc([C@H]([NH3+])C3CC3)c2)n(CC)n1 C1CC1[*:1] CCc1cc(Cn2ccc(c2)[C@H]([NH3+])[*:1])n(CC)n1
C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(cc1)[*:1]
O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(-c2ccccc2)[nH]n1 O=c1[nH]nc([nH]1)[*:1] O=C(NCCC[*:1])c1cc([nH]n1)-c1ccccc1
O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(-c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc([nH]n1)[*:1]
O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(-c2ccccc2)[nH]n1 O=c1[nH]nc(C[*:1])[nH]1 O=C(NCC[*:1])c1cc([nH]n1)-c1ccccc1
COC(=O)c1[nH]c(C)c(C(=O)CN(C(=O)C2CC2)C(C)(C)C)c1C CC(C)(C)[*:1] COC(=O)c1[nH]c(C)c(C(=O)CN(C(=O)C2CC2)[*:1])c1C
COC(=O)c1[nH]c(C)c(C(=O)CN(C(=O)C2CC2)C(C)(C)C)c1C C1CC1[*:1] COC(=O)c1[nH]c(C)c(C(=O)CN(C(=O)[*:1])C(C)(C)C)c1C
COC(=O)c1[nH]c(C)c(C(=O)CN(C(=O)C2CC2)C(C)(C)C)c1C COC(=O)[*:1] Cc1[nH]c(c(C)c1C(=O)CN(C(=O)C1CC1)C(C)(C)C)[*:1]
CC(=O)N1CCC(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)CC1 Cc1cc(c(C)o1)[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1nc(cs1)[*:1]
N#Cc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)NC(=O)CCn1nc(oc1=O)[*:1]
N#Cc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc1 N#Cc1ccc(cc1)[*:1] O=C(CCn1nc(oc1=O)-c1cccs1)N[*:1]
CCc1ccc(S(=O)(=O)NCC#CCN2CCOCC2)s1 CCc1ccc(s1)[*:1] O=S(=O)(NCC#CCN1CCOCC1)[*:1]
CCc1ccc(S(=O)(=O)NCC#CCN2CCOCC2)s1 C1CN(CCO1)C[*:1] CCc1ccc(s1)S(=O)(=O)NCC#C[*:1]
CCc1ccc(S(=O)(=O)NCC#CCN2CCOCC2)s1 C1CN(CCO1)[*:1] CCc1ccc(s1)S(=O)(=O)NCC#CC[*:1]
N#Cc1ccc(/C=C/C=C/C(=O)c2occc2Br)cc1 Brc1ccoc1[*:1] N#Cc1ccc(/C=C/C=C/C(=O)[*:1])cc1
CC(C)CSCCC[NH2+][C@H]1CCCc2c1cnn2C CC(C)CSC[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+]CC[*:1]
CC(C)CSCCC[NH2+][C@H]1CCCc2c1cnn2C CC(C)CS[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+]CCC[*:1]
CC(C)CSCCC[NH2+][C@H]1CCCc2c1cnn2C CC(C)[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+]CCCSC[*:1]
CC(C)CSCCC[NH2+][C@H]1CCCc2c1cnn2C CC(C)C[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+]CCCS[*:1]
Cc1n[nH]c(-c2ccc(C(=O)NC[C@@H](C)CN3CCOCC3)cc2)n1 Cc1n[nH]c(n1)[*:1] C[C@H](CNC(=O)c1ccc(cc1)[*:1])CN1CCOCC1
Cc1n[nH]c(-c2ccc(C(=O)NC[C@@H](C)CN3CCOCC3)cc2)n1 C1CN(CCO1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)NC[C@@H](C)C[*:1]
Cc1n[nH]c(-c2ccc(C(=O)NC[C@@H](C)CN3CCOCC3)cc2)n1 C1CN(CCO1)C[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)NC[C@@H](C)[*:1]
CCc1ocnc1C(=O)N[C@@H](CC(N)=O)C1CCCCC1 C1CCC(CC1)[*:1] CCc1ocnc1C(=O)N[C@@H](CC(N)=O)[*:1]
CCc1ocnc1C(=O)N[C@@H](CC(N)=O)C1CCCCC1 NC(=O)[*:1] CCc1ocnc1C(=O)N[C@@H](C[*:1])C1CCCCC1
CCc1ocnc1C(=O)N[C@@H](CC(N)=O)C1CCCCC1 CCc1ocnc1[*:1] NC(=O)C[C@H](NC(=O)[*:1])C1CCCCC1
CCc1ocnc1C(=O)N[C@@H](CC(N)=O)C1CCCCC1 NC(=O)C[*:1] CCc1ocnc1C(=O)N[C@@H](C1CCCCC1)[*:1]
Cc1ccc(C(C)C)cc1OCC(=O)Oc1cccc(C(=O)N(C)C)c1 CC(C)[*:1] Cc1ccc(cc1OCC(=O)Oc1cccc(c1)C(=O)N(C)C)[*:1]
Cc1ccc(C(C)C)cc1OCC(=O)Oc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccc(cc1OCC(=O)Oc1cccc(c1)[*:1])C(C)C
CSc1ccccc1NC(=O)Cc1csc(NC(=O)c2ncccn2)n1 CSc1ccccc1[*:1] O=C(Cc1csc(n1)NC(=O)c1ncccn1)N[*:1]
CSc1ccccc1NC(=O)Cc1csc(NC(=O)c2ncccn2)n1 c1cnc(nc1)[*:1] CSc1ccccc1NC(=O)Cc1csc(n1)NC(=O)[*:1]
C[C@H](Cn1cccn1)Nc1ccc2nnc(-c3ccccc3)n2n1 c1cnn(c1)[*:1] C[C@H](C[*:1])Nc1ccc2nnc(-c3ccccc3)n2n1
C[C@H](Cn1cccn1)Nc1ccc2nnc(-c3ccccc3)n2n1 c1ccc(cc1)[*:1] C[C@H](Cn1cccn1)Nc1ccc2nnc(n2n1)[*:1]
C[C@H](Cn1cccn1)Nc1ccc2nnc(-c3ccccc3)n2n1 c1cnn(c1)C[*:1] C[C@H](Nc1ccc2nnc(-c3ccccc3)n2n1)[*:1]
CCOC(=O)/C(=C(\F)SCC(C)=O)C(F)(F)F CC(=O)[*:1] CCOC(=O)/C(=C(\F)SC[*:1])C(F)(F)F
CCOC(=O)/C(=C(\F)SCC(C)=O)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)C(=C(F)SCC(C)=O)[*:1]
CCOC(=O)/C(=C(\F)SCC(C)=O)C(F)(F)F CC(=O)CS[*:1] CCOC(=O)C(=C(F)[*:1])C(F)(F)F
CCOC(=O)/C(=C(\F)SCC(C)=O)C(F)(F)F CC(=O)C[*:1] CCOC(=O)/C(=C(\F)S[*:1])C(F)(F)F
CCOC(=O)/C(=C(\F)SCC(C)=O)C(F)(F)F CCOC(=O)[*:1] CC(=O)CS/C(F)=C(\C(F)(F)F)[*:1]
COC(=O)[C@H](C)NC(=O)CCC(=O)c1ccc(Br)cc1 COC(=O)[C@H](C)[*:1] O=C(CCC(=O)c1ccc(Br)cc1)N[*:1]
COC(=O)[C@H](C)NC(=O)CCC(=O)c1ccc(Br)cc1 COC(=O)[*:1] C[C@H](NC(=O)CCC(=O)c1ccc(Br)cc1)[*:1]
C[C@H]1[C@@H](C)N(C(=O)c2cn(C)nc2C(C)(C)C)CCS1(=O)=O CC(C)(C)[*:1] C[C@H]1[C@@H](C)N(CCS1(=O)=O)C(=O)c1cn(C)nc1[*:1]
Cc1ccsc1CNC(=O)CN1CCCCCC1=O Cc1ccsc1[*:1] O=C(CN1CCCCCC1=O)NC[*:1]
COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(N1CCN(CC1)c1ccc(nn1)Nc1ccccc1)[*:1]
COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N1CCN(CC1)c1ccc(nn1)N[*:1]
COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(nn1)Nc1ccccc1
COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)cc1 c1ccc(cc1)N[*:1] COc1ccc(cc1)CC(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
COc1cccc(N2CC[NH+](Cc3ccnc(N4CCOCC4)n3)CC2)c1 COc1cccc(c1)[*:1] c1cc(C[NH+]2CCN(CC2)[*:1])nc(n1)N1CCOCC1
COc1cccc(N2CC[NH+](Cc3ccnc(N4CCOCC4)n3)CC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)N1CC[NH+](CC1)Cc1ccnc(n1)[*:1]
CC(C)(C)c1[nH]n(-c2ccccc2)c2nc(=O)c(C[NH2+]Cc3cccs3)cc1-2 CC(C)(C)[*:1] O=c1nc2-c(cc1C[NH2+]Cc1cccs1)c([nH]n2-c1ccccc1)[*:1]
CC(C)(C)c1[nH]n(-c2ccccc2)c2nc(=O)c(C[NH2+]Cc3cccs3)cc1-2 c1csc(c1)C[*:1] CC(C)(C)c1[nH]n(-c2ccccc2)c2nc(=O)c(cc1-2)C[NH2+][*:1]
CC(C)(C)c1[nH]n(-c2ccccc2)c2nc(=O)c(C[NH2+]Cc3cccs3)cc1-2 c1csc(c1)[*:1] CC(C)(C)c1[nH]n(-c2ccccc2)c2nc(=O)c(cc1-2)C[NH2+]C[*:1]
CC(C)(C)c1[nH]n(-c2ccccc2)c2nc(=O)c(C[NH2+]Cc3cccs3)cc1-2 c1ccc(cc1)[*:1] CC(C)(C)c1[nH]n(c2nc(=O)c(cc1-2)C[NH2+]Cc1cccs1)[*:1]
CC(C)(C)c1ccc(CS(=O)(=O)CCS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] CC(C)(C)c1ccc(cc1)CS(=O)(=O)C[*:1]
CC(C)(C)c1ccc(CS(=O)(=O)CCS(C)(=O)=O)cc1 CC(C)(C)[*:1] CS(=O)(=O)CCS(=O)(=O)Cc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(CS(=O)(=O)CCS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CC(C)(C)c1ccc(cc1)CS(=O)(=O)CC[*:1]
CC(C)(C)c1ccc(CS(=O)(=O)CCS(C)(=O)=O)cc1 CS(=O)(=O)CC[*:1] CC(C)(C)c1ccc(cc1)CS(=O)(=O)[*:1]
COc1ccc(Cl)cc1CNC(=O)N[C@@H](C)c1cn(C)nc1C Cc1nn(C)cc1[*:1] COc1ccc(Cl)cc1CNC(=O)N[C@@H](C)[*:1]
Cc1ccc(C(=O)CCC(=O)NC2CC[NH+](CC(C)C)CC2)s1 CC(C)[*:1] Cc1ccc(s1)C(=O)CCC(=O)NC1CC[NH+](CC1)C[*:1]
Cc1ccc(C(=O)CCC(=O)NC2CC[NH+](CC(C)C)CC2)s1 CC(C)C[*:1] Cc1ccc(s1)C(=O)CCC(=O)NC1CC[NH+](CC1)[*:1]
Cc1ccc(C(=O)CCC(=O)NC2CC[NH+](CC(C)C)CC2)s1 Cc1ccc(s1)[*:1] CC(C)C[NH+]1CCC(CC1)NC(=O)CCC(=O)[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)N[C@@H](C)[C@@H](O)[*:1]
C[C@@H](CC(=O)N(C)C[C@H](O)C1CC1)c1cccc(C(F)(F)F)c1 O[C@H](C1CC1)[*:1] C[C@@H](CC(=O)N(C)C[*:1])c1cccc(c1)C(F)(F)F
C[C@@H](CC(=O)N(C)C[C@H](O)C1CC1)c1cccc(C(F)(F)F)c1 C1CC1[*:1] C[C@@H](CC(=O)N(C)C[C@H](O)[*:1])c1cccc(c1)C(F)(F)F
C[C@@H](CC(=O)N(C)C[C@H](O)C1CC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](CC(=O)N(C)C[C@H](O)C1CC1)c1cccc(c1)[*:1]
C[C@@H](CC(=O)N(C)C[C@H](O)C1CC1)c1cccc(C(F)(F)F)c1 O[C@@H](C[*:1])C1CC1 C[C@@H](CC(=O)N(C)[*:1])c1cccc(c1)C(F)(F)F
COc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)Nc1ncnc2c1cnn2[*:1]
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1C[C@H]1O[C@@H](C3CCCCC3)O[C@]12C(=O)CO O=C(CO)[*:1] C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1C[C@H]1O[C@H](O[C@]12[*:1])C1CCCCC1
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1C[C@H]1O[C@@H](C3CCCCC3)O[C@]12C(=O)CO C1CCC(CC1)[*:1] C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1C[C@H]1O[C@@H](O[C@]12C(=O)CO)[*:1]
O=C(Cc1cccc(OCc2cccnc2)c1)N1CCC[C@H]2CCC[C@@H]21 c1cncc(c1)CO[*:1] O=C(Cc1cccc(c1)[*:1])N1CCC[C@H]2CCC[C@@H]21
O=C(Cc1cccc(OCc2cccnc2)c1)N1CCC[C@H]2CCC[C@@H]21 c1cncc(c1)[*:1] O=C(Cc1cccc(c1)OC[*:1])N1CCC[C@H]2CCC[C@@H]21
O=C(Cc1cccc(OCc2cccnc2)c1)N1CCC[C@H]2CCC[C@@H]21 c1cncc(c1)C[*:1] O=C(Cc1cccc(c1)O[*:1])N1CCC[C@H]2CCC[C@@H]21
O=C(CS[C@@H]1NN=CN1C1CC1)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 C1CC1[*:1] O=C(CS[C@@H]1NN=CN1[*:1])C1=c2ccccc2=[NH+][C@@H]1c1ccccc1
O=C(CS[C@@H]1NN=CN1C1CC1)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CS[C@@H]1NN=CN1C1CC1)C1=c2ccccc2=[NH+][C@H]1[*:1]
COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)[C@H]1C2C(=O)C[C@H](CC=2Nc2nc(C)nn21)[*:1]
COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1OC COc1ccc(cc1OC)[*:1] Cc1nc2NC3C[C@H](CC(=O)C=3[C@@H](n2n1)[*:1])c1ccco1
N#Cc1ccc(NC(=O)C(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)N[C@H](Cn1cncn1)[*:1]
N#Cc1ccc(NC(=O)C(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1 c1ncn(n1)[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)N[C@H](C[*:1])c1ccccc1
N#Cc1ccc(NC(=O)C(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1 c1ncn(C[*:1])n1 N#Cc1ccc(cc1)NC(=O)C(=O)N[C@H](c1ccccc1)[*:1]
N#Cc1ccc(NC(=O)C(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[C@H](Cn1cncn1)c1ccccc1)C(=O)N[*:1]
O=C(/C=C/c1cccs1)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 C(=C[*:1])c1cccs1 O=C(c1cc2ccccc2o1)N1CCC(CC1)CNC(=O)[*:1]
O=C(/C=C/c1cccs1)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 c1ccc2oc(cc2c1)[*:1] O=C(/C=C/c1cccs1)NCC1CCN(CC1)C(=O)[*:1]
O=C(/C=C/c1cccs1)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 c1csc(c1)[*:1] O=C(C=C[*:1])NCC1CCN(CC1)C(=O)c1cc2ccccc2o1
CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N[C@@H](C)Cc3ccccn3)c2N1 C[C@@H](Cc1ccccn1)[*:1] CC[C@H]1C[C@H](n2ncc(C(=O)N[*:1])c2N1)C(F)(F)F
CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N[C@@H](C)Cc3ccccn3)c2N1 c1ccc(C[*:1])nc1 CC[C@H]1C[C@H](n2ncc(C(=O)N[C@@H](C)[*:1])c2N1)C(F)(F)F
CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N[C@@H](C)Cc3ccccn3)c2N1 c1ccc(nc1)[*:1] CC[C@H]1C[C@H](n2ncc(C(=O)N[C@@H](C)C[*:1])c2N1)C(F)(F)F
CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N[C@@H](C)Cc3ccccn3)c2N1 FC(F)(F)[*:1] CC[C@H]1C[C@@H](n2ncc(C(=O)N[C@@H](C)Cc3ccccn3)c2N1)[*:1]
CCCNc1nnc(S(=O)(=O)CC)s1 CCC[*:1] CCS(=O)(=O)c1nnc(N[*:1])s1
CCCNc1nnc(S(=O)(=O)CC)s1 CCCN[*:1] CCS(=O)(=O)c1nnc(s1)[*:1]
COC(=O)[C@@H]1CC(/C=C/c2ccccc2)=N[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H]1CC(C=C[*:1])=N[C@H]1c1ccccc1
COC(=O)[C@@H]1CC(/C=C/c2ccccc2)=N[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H]1CC(/C=C/c2ccccc2)=N[C@@H]1[*:1]
COC(=O)[C@@H]1CC(/C=C/c2ccccc2)=N[C@H]1c1ccccc1 COC(=O)[*:1] C(=C/c1ccccc1)\C1C[C@H]([C@@H](N=1)c1ccccc1)[*:1]
Cn1c(C[NH+](C)CCC(=O)NC2CCCCC2)nc2ccccc21 C1CCC(CC1)[*:1] Cn1c(C[NH+](C)CCC(=O)N[*:1])nc2ccccc21
O=C(c1cc(C2CC2)on1)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 C1CC1[*:1] O=C(c1cc(on1)[*:1])N1C[C@H]2Cc3cnc(nc3[C@H]2C1)N1CCCC1
O=C(c1cc(C2CC2)on1)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 c1c(noc1C1CC1)[*:1] O=C(N1C[C@H]2Cc3cnc(nc3[C@H]2C1)N1CCCC1)[*:1]
O=C(c1cc(C2CC2)on1)N1C[C@H]2Cc3cnc(N4CCCC4)nc3[C@H]2C1 C1CCN(C1)[*:1] O=C(c1cc(on1)C1CC1)N1C[C@H]2Cc3cnc(nc3[C@H]2C1)[*:1]
CSC[C@@H](C)N(C)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 CSC[*:1] C[C@@H](N(C)C(=O)NC[C@@H]1CCN(C1)c1ccc(F)c(F)c1)[*:1]
CSC[C@@H](C)N(C)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] CSC[C@@H](C)N(C)C(=O)NC[C@@H]1CCN(C1)[*:1]
Cc1ccc(N2CCn3c2nnc(C(=O)NCc2ccc4c(c2)OCO4)c3=O)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)N1CCn2c1nnc(C(=O)NC[*:1])c2=O
Cc1ccc(N2CCn3c2nnc(C(=O)NCc2ccc4c(c2)OCO4)c3=O)cc1 c1cc2OCOc2cc1C[*:1] Cc1ccc(cc1)N1CCn2c1nnc(C(=O)N[*:1])c2=O
Cc1ccc(N2CCn3c2nnc(C(=O)NCc2ccc4c(c2)OCO4)c3=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)c1nnc2N(CCn2c1=O)[*:1]
NC1=NC(=O)N[C@@H]1c1cncn1C1CC1 C1CC1[*:1] NC1=NC(=O)N[C@@H]1c1cncn1[*:1]
O=C(N[C@@H](CO)c1ccco1)[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H](CO)c1ccco1)[C@@H]1C[C@@H]1[*:1]
O=C(N[C@@H](CO)c1ccco1)[C@@H]1C[C@H]1c1ccccc1 c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])[C@@H]1C[C@H]1c1ccccc1
COCCOc1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1 COC[*:1] CC(C)[C@@H](Br)C(=O)Nc1nc2ccc(cc2s1)OC[*:1]
COCCOc1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1 COCC[*:1] CC(C)[C@@H](Br)C(=O)Nc1nc2ccc(cc2s1)O[*:1]
COCCOc1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1 CC(C)[*:1] COCCOc1ccc2nc(NC(=O)[C@H](Br)[*:1])sc2c1
COCCOc1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1 COCCO[*:1] CC(C)[C@@H](Br)C(=O)Nc1nc2ccc(cc2s1)[*:1]
COc1cc(NC(=O)c2ccccc2F)ccc1NS(C)(=O)=O Fc1ccccc1[*:1] COc1cc(ccc1NS(C)(=O)=O)NC(=O)[*:1]
COc1cc(NC(=O)c2ccccc2F)ccc1NS(C)(=O)=O CS(=O)(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)c1ccccc1F
C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1cc2ccccc2o1 FC(F)[*:1] C[C@H]([NH2+]Cc1ccc(CS[*:1])o1)c1cc2ccccc2o1
C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1cc2ccccc2o1 FC(F)SC[*:1] C[C@H]([NH2+]Cc1ccc(o1)[*:1])c1cc2ccccc2o1
C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1cc2ccccc2o1 FC(F)S[*:1] C[C@H]([NH2+]Cc1ccc(C[*:1])o1)c1cc2ccccc2o1
CC(C)(C)c1[nH]nc2c1[C@@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2 CC(C)(C)[*:1] N#CC1=C(N)Oc2n[nH]c(c2[C@H]1[C@@H]1C=CCCC1)[*:1]
Cc1c(C(=O)N2CCC(C)(c3ccccc3)CC2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC(C)(CC1)c1ccccc1
Cc1c(C(=O)N2CCC(C)(c3ccccc3)CC2)cnn1C(C)C c1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)N1CCC(C)(CC1)[*:1]
O=C(Nc1ccc(C2[NH+]=c3ccccc3=[NH+]2)cc1)c1cccc(-n2cnnc2)n1 c1nncn1[*:1] O=C(Nc1ccc(cc1)C1[NH+]=c2ccccc2=[NH+]1)c1cccc(n1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1C Cc1ccc(cc1C)[*:1] C[NH+](C)CCOc1ccc(cc1)NS(=O)(=O)[*:1]
Cc1cc(C)n(CCN2CCN(C(=O)c3ccccc3Br)CC2)n1 Cc1cc(C)n(n1)[*:1] O=C(c1ccccc1Br)N1CCN(CC1)CC[*:1]
Cc1cc(C)n(CCN2CCN(C(=O)c3ccccc3Br)CC2)n1 Cc1cc(C)n(C[*:1])n1 O=C(c1ccccc1Br)N1CCN(CC1)C[*:1]
Cc1cc(C)n(CCN2CCN(C(=O)c3ccccc3Br)CC2)n1 Brc1ccccc1[*:1] Cc1cc(C)n(CCN2CCN(CC2)C(=O)[*:1])n1
CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3C)CC2)cc1 CC(=O)[*:1] Cc1ccccc1NC(=O)CN1CCN(CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3C)CC2)cc1 Cc1ccccc1[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)CC(=O)N[*:1]
N#CCc1ccc(S(=O)(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 C1CN(CCO1)[*:1] N#CCc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C[*:1]
N#CCc1ccc(S(=O)(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 C1CN(CCO1)C[*:1] N#CCc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
N#CCc1ccc(S(=O)(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 N#CC[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC[C@@H](CN2CCOCC2)C1
COc1ccc(-c2csc3c(=O)n(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)cnc23)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1csc2c(=O)n(cnc12)CC(=O)Nc1cc(ccc1Cl)[*:1]
COc1ccc(-c2csc3c(=O)n(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)cnc23)cc1 COc1ccc(cc1)[*:1] O=C(Cn1cnc2c(csc2c1=O)[*:1])Nc1cc(ccc1Cl)C(F)(F)F
COc1ccc(-c2csc3c(=O)n(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)cnc23)cc1 FC(F)(F)c1ccc(Cl)c(c1)[*:1] COc1ccc(cc1)-c1csc2c(=O)n(cnc12)CC(=O)N[*:1]
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 Clc1cccc(c1Cl)[*:1] C[C@H](O[*:1])C(=O)N1CSC[C@H]1C(=O)N1CCCC1
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CSC[C@@H]1[*:1]
C=CCN1/C(=N/C=C(\C#N)C(=O)Nc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@@H]21 C=CC[*:1] N#C/C(=C\N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1])C(=O)Nc1ccccc1
C=CCN1/C(=N/C=C(\C#N)C(=O)Nc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@@H]21 c1ccc(cc1)[*:1] C=CCN1/C(=N/C=C(\C#N)C(=O)N[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
C=CCN1/C(=N/C=C(\C#N)C(=O)Nc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@@H]21 O=C(Nc1ccccc1)[*:1] C=CCN1/C(=N/C=C(C#N)[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
CCOc1ccccc1NC(=O)c1ccc(C)cc1NC CCO[*:1] CNc1cc(C)ccc1C(=O)Nc1ccccc1[*:1]
O=C(CNC(=O)NCc1ccccc1)Nc1ccc(Cl)cc1F c1ccc(cc1)C[*:1] O=C(CNC(=O)N[*:1])Nc1ccc(Cl)cc1F
O=C(CNC(=O)NCc1ccccc1)Nc1ccc(Cl)cc1F c1ccc(cc1)[*:1] O=C(CNC(=O)NC[*:1])Nc1ccc(Cl)cc1F
CS(=O)(=O)NCCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 CS(=O)(=O)NC[*:1] O=C(C[*:1])N1CCc2cc(Cl)cc(Cl)c2C1
CS(=O)(=O)NCCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 CS(=O)(=O)N[*:1] O=C(CC[*:1])N1CCc2cc(Cl)cc(Cl)c2C1
CS(=O)(=O)NCCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 CS(=O)(=O)NCC[*:1] O=C(N1CCc2cc(Cl)cc(Cl)c2C1)[*:1]
O=C(OCC(=O)N1CCCCCC1)[C@@H]1CCCN1C(=O)c1ccco1 c1coc(c1)[*:1] O=C(OCC(=O)N1CCCCCC1)[C@@H]1CCCN1C(=O)[*:1]
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 COc1ccc(Cl)cc1[*:1] O=C(c1cc2ccccc2oc1=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccccc2)c(Cl)cc1Cl c1ccc(cc1)[*:1] CC(C)NS(=O)(=O)c1cc(C(=O)N[*:1])c(Cl)cc1Cl
CC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccccc2)c(Cl)cc1Cl CC(C)NS(=O)(=O)[*:1] O=C(Nc1ccccc1)c1cc(c(Cl)cc1Cl)[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccccc2)c(Cl)cc1Cl CC(C)[*:1] O=C(Nc1ccccc1)c1cc(c(Cl)cc1Cl)S(=O)(=O)N[*:1]
O=C(Nc1cccnc1)NC1(c2ccccc2)CCCC1 c1cncc(c1)[*:1] O=C(NC1(CCCC1)c1ccccc1)N[*:1]
O=C(Nc1cccnc1)NC1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] O=C(Nc1cccnc1)NC1(CCCC1)[*:1]
C[C@H](C(=O)NC(N)=O)N1CCc2cc(Br)sc2C1 NC(=O)NC(=O)[*:1] C[C@H](N1CCc2cc(Br)sc2C1)[*:1]
CC(C)c1ccc(NC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] CC(C)c1ccc(cc1)NC(=O)CCC(=O)N1CCN(CC1)[*:1]
CC(C)c1ccc(NC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)cc1 CC(C)[*:1] O=C(CCC(=O)N1CCN(CC1)c1ccccc1F)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCN(CC1)c1ccccc1F)N[*:1]
CSc1nccc(N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)n1 c1cnn(c1)[*:1] CSc1nccc(n1)N1CCC[C@@H](C1)c1nnc(C[*:1])n1C
CSc1nccc(N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)n1 c1cnn(c1)C[*:1] CSc1nccc(n1)N1CCC[C@@H](C1)c1nnc(n1C)[*:1]
CSc1nccc(N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)n1 CSc1nccc(n1)[*:1] Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(C1)[*:1]
CCC[NH2+][C@H](C)c1nc2ccccc2c(=O)n1C CCC[*:1] C[C@@H]([NH2+][*:1])c1nc2ccccc2c(=O)n1C
CC[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1 c1ccc(nc1)[*:1] CC[C@@H](C(=O)Nc1cccc(C#C[*:1])c1)c1ccccc1
CC[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[*:1]
CC[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1 C(#C[*:1])c1ccccn1 CC[C@@H](C(=O)Nc1cccc(c1)[*:1])c1ccccc1
COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1Cl COC(=O)[*:1] CN1C[C@H](CC1=O)C(=O)N[C@@H](C[*:1])c1ccccc1Cl
COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)[*:1]
COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1Cl COC(=O)C[*:1] CN1C[C@H](CC1=O)C(=O)N[C@H](c1ccccc1Cl)[*:1]
COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1Cl CN1C[C@H](CC1=O)[*:1] COC(=O)C[C@H](NC(=O)[*:1])c1ccccc1Cl
CCc1cccc2c(CCNC(=O)c3scnc3C3CC3)c[nH]c12 c1nc(c(s1)[*:1])C1CC1 CCc1cccc2c(c[nH]c12)CCNC(=O)[*:1]
CCc1cccc2c(CCNC(=O)c3scnc3C3CC3)c[nH]c12 C1CC1[*:1] CCc1cccc2c(c[nH]c12)CCNC(=O)c1scnc1[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)COC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)C[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)COC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)CO[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)COC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)COC[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)COC[C@@H]1CCCO1 CC[S@](=O)[*:1] O=C(COC[C@@H]1CCCO1)N[C@H]1CCCC[C@H]1[*:1]
O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCCO2 Clc1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])Nc1ccc2OCCCOc2c1
C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)[C@@H]1C C1CC1[*:1] C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(c2)C(=O)N[*:1])[C@@H]1C
C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)[C@@H]1C O=C(NC1CC1)[*:1] C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(c2)[*:1])[C@@H]1C
OC1CCC([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 Fc1ccccc1[*:1] OC1CCC(CC1)[NH2+]C(Cc1ccccc1F)C[*:1]
OC1CCC([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] OC1CCC(CC1)[NH2+]C(Cc1ccccc1F)[*:1]
COc1ccc2c(c1)[C@@H](Cc1ccccc1)C(=O)CC2 c1ccc(cc1)[*:1] COc1ccc2CCC(=O)[C@H](C[*:1])c2c1
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 COc1ccc(cc1)C[*:1] CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 COc1ccc(cc1)[*:1] CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1ccc(OCC(=O)N[C@@H](C)CCCO)cc1C C[C@@H](CCCO)[*:1] Cc1ccc(cc1C)OCC(=O)N[*:1]
Cc1ccc(OCC(=O)N[C@@H](C)CCCO)cc1C OCCC[*:1] Cc1ccc(cc1C)OCC(=O)N[C@@H](C)[*:1]
Cc1ccc(OCC(=O)N[C@@H](C)CCCO)cc1C OCC[*:1] Cc1ccc(cc1C)OCC(=O)N[C@@H](C)C[*:1]
COC[C@H](Nc1ncnc2ncccc12)c1ccc(F)c(F)c1 COC[*:1] Fc1ccc(cc1F)[C@@H](Nc1ncnc2ncccc12)[*:1]
CC(C)CN(c1cc(N)cc[nH+]1)C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(c1cc(N)cc[nH+]1)[*:1]
CC(C)CN(c1cc(N)cc[nH+]1)C1CCCC1 CC(C)C[*:1] Nc1cc[nH+]c(c1)N(C1CCCC1)[*:1]
CC(C)CN(c1cc(N)cc[nH+]1)C1CCCC1 CC(C)[*:1] Nc1cc[nH+]c(c1)N(C[*:1])C1CCCC1
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)Cc3csc4[n+]3CCCN4)C2)cc1 O=C([O-])[*:1] O=C(Cc1csc2NCCC[n+]12)N1CCC[C@H](C1)c1ccc(cc1)[*:1]
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)Cc3csc4[n+]3CCCN4)C2)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C(Cc1csc2NCCC[n+]12)N1CCC[C@H](C1)[*:1]
Cc1ccccc1NCC(=O)N[C@H](C)c1cccs1 c1csc(c1)[*:1] Cc1ccccc1NCC(=O)N[C@H](C)[*:1]
C[C@H]1C[C@]2(CCO1)C[NH+]=C(N)N2C1CCCC1 C1CCC(C1)[*:1] C[C@H]1C[C@]2(CCO1)C[NH+]=C(N)N2[*:1]
Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H]3CCO[C@H]3C)cc2)n1 Cc1cc(C)nc(n1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)S[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1ccc(SC)cc1)N(C)C2=O CSc1ccc(cc1)[*:1] COc1cc2C(=O)N(C)[C@H]([C@@H](C(=O)[O-])c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1ccc(SC)cc1)N(C)C2=O O=C([O-])[*:1] COc1cc2C(=O)N(C)[C@H](c3ccc(cc3)SC)[C@@H](c2cc1OC)[*:1]
NC(=O)[C@]1([NH3+])CCC[C@@H](Sc2ccc(F)cc2)C1 NC(=O)[*:1] [NH3+][C@@]1(CCC[C@H](C1)Sc1ccc(F)cc1)[*:1]
[NH3+][C@H](CSc1ccccc1F)[C@H]1CCCc2cccnc21 Fc1ccccc1[*:1] [NH3+][C@H](CS[*:1])[C@H]1CCCc2cccnc21
O=C(c1c(F)cccc1F)N1CCN(Cc2ccc(OCC(F)F)cc2)CC1 FC(F)[*:1] O=C(c1c(F)cccc1F)N1CCN(CC1)Cc1ccc(cc1)OC[*:1]
O=C(c1c(F)cccc1F)N1CCN(Cc2ccc(OCC(F)F)cc2)CC1 Fc1cccc(F)c1[*:1] O=C(N1CCN(CC1)Cc1ccc(cc1)OCC(F)F)[*:1]
O=C(c1c(F)cccc1F)N1CCN(Cc2ccc(OCC(F)F)cc2)CC1 FC(F)CO[*:1] O=C(c1c(F)cccc1F)N1CCN(CC1)Cc1ccc(cc1)[*:1]
O=C(c1c(F)cccc1F)N1CCN(Cc2ccc(OCC(F)F)cc2)CC1 FC(F)C[*:1] O=C(c1c(F)cccc1F)N1CCN(CC1)Cc1ccc(cc1)O[*:1]
C[C@@H]1CCc2nc3ccccc3c(C(=O)OC[C@@H]3CCCCO3)c2C1 C1CC[C@@H](C[*:1])OC1 C[C@@H]1CCc2nc3ccccc3c(C(=O)O[*:1])c2C1
C[C@@H]1CCc2nc3ccccc3c(C(=O)OC[C@@H]3CCCCO3)c2C1 C1CC[C@H](OC1)[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)OC[*:1])c2C1
CCCCC(=O)Nc1cc([O-])nc2nc(-c3ccccc3)nn12 CCCC[*:1] O=C(Nc1cc([O-])nc2nc(nn12)-c1ccccc1)[*:1]
CCCCC(=O)Nc1cc([O-])nc2nc(-c3ccccc3)nn12 CCC[*:1] O=C(C[*:1])Nc1cc([O-])nc2nc(nn12)-c1ccccc1
CCCCC(=O)Nc1cc([O-])nc2nc(-c3ccccc3)nn12 c1ccc(cc1)[*:1] CCCCC(=O)Nc1cc([O-])nc2nc(nn12)[*:1]
CCCCC(=O)Nc1cc([O-])nc2nc(-c3ccccc3)nn12 CCCCC(=O)N[*:1] [O-]c1cc(n2nc(nc2n1)-c1ccccc1)[*:1]
C/C=C/C=C/C(=O)N[C@H](CC)c1c(C)nn(C)c1C C/C=C/C=C[*:1] CC[C@@H](NC(=O)[*:1])c1c(C)nn(C)c1C
C/C=C/C=C/C(=O)N[C@H](CC)c1c(C)nn(C)c1C CC=C[*:1] CC[C@@H](NC(=O)C=C[*:1])c1c(C)nn(C)c1C
COC(=O)c1sc2nc(CSc3ncccn3)[nH]c(=O)c2c1C c1cnc(nc1)S[*:1] COC(=O)c1sc2nc(C[*:1])[nH]c(=O)c2c1C
COC(=O)c1sc2nc(CSc3ncccn3)[nH]c(=O)c2c1C c1cnc(nc1)[*:1] COC(=O)c1sc2nc(CS[*:1])[nH]c(=O)c2c1C
COC(=O)c1sc2nc(CSc3ncccn3)[nH]c(=O)c2c1C COC(=O)[*:1] Cc1c(sc2nc(CSc3ncccn3)[nH]c(=O)c12)[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[C@@H]1CCN(C1)[*:1]
CC(C)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)CC1 CC(C)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)C(=O)N1CCN(CC1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C C[C@@H](c1ccccc1)[*:1] CN(C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[*:1]
CC[C@@H](c1ccncc1)N(C)Cc1noc(-c2ccoc2)n1 c1cc(ccn1)[*:1] CC[C@@H](N(C)Cc1noc(n1)-c1ccoc1)[*:1]
CC[C@@H](c1ccncc1)N(C)Cc1noc(-c2ccoc2)n1 c1cc(co1)[*:1] CC[C@@H](c1ccncc1)N(C)Cc1noc(n1)[*:1]
Cc1nc(N)sc1SCC(=O)NC(=O)c1cccn1C Cn1cccc1[*:1] Cc1nc(N)sc1SCC(=O)NC(=O)[*:1]
CNC(=O)CNC(=O)Nc1ccccc1C(=O)NC(C)(C)C CNC(=O)C[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)N[*:1]
CNC(=O)CNC(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] CNC(=O)CNC(=O)Nc1ccccc1[*:1]
CNC(=O)CNC(=O)Nc1ccccc1C(=O)NC(C)(C)C CNC(=O)[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)NC[*:1]
CNC(=O)CNC(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)[*:1] CNC(=O)CNC(=O)Nc1ccccc1C(=O)N[*:1]
C[C@@]1(CNC(=O)N[C@H]2CCC[C@H](C(=O)[O-])C2)CCCO1 O=C([O-])[*:1] C[C@]1(CCCO1)CNC(=O)N[C@H]1CCC[C@H](C1)[*:1]
C[C@@]1(CNC(=O)N[C@H]2CCC[C@H](C(=O)[O-])C2)CCCO1 C[C@]1(CCCO1)[*:1] O=C(NC[*:1])N[C@H]1CCC[C@@H](C1)C(=O)[O-]
CSC[C@@H](CCO)NC(=O)N[C@@H](C)c1ccccc1 CSC[*:1] C[C@H](NC(=O)N[C@H](CCO)[*:1])c1ccccc1
CSC[C@@H](CCO)NC(=O)N[C@@H](C)c1ccccc1 OCC[*:1] CSC[C@@H](NC(=O)N[C@@H](C)c1ccccc1)[*:1]
CSC[C@@H](CCO)NC(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CSC[C@@H](CCO)NC(=O)N[C@@H](C)[*:1]
CCc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)n(C)n1 FC(F)(F)[*:1] CCc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2O[*:1])n(C)n1
CCc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)n(C)n1 CCc1cc(n(C)n1)[*:1] O=C(N[*:1])[C@H]1C[C@H]1c1ccccc1OC(F)(F)F
CCc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)n(C)n1 FC(F)(F)O[*:1] CCc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2[*:1])n(C)n1
Cc1cccc(C2=CCN(C(=O)c3c(C(C)C)nn(C)c3Cl)CC2)c1 CC(C)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)c1c(nn(C)c1Cl)[*:1]
Cc1cccc(C2=CCN(C(=O)c3c(C(C)C)nn(C)c3Cl)CC2)c1 Cc1cccc(c1)[*:1] CC(C)c1nn(C)c(Cl)c1C(=O)N1CC=C(CC1)[*:1]
C=CCNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 C=CC[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)NC(=O)N[*:1]
C=CCNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C=CCNC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
Cc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3)nc2c1 Fc1ccc(cc1)[*:1] Cc1cc(C)c2sc(nc2c1)N(CCCN1CCOCC1)C(=O)[*:1]
Cc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3)nc2c1 C(CN1CCOCC1)C[*:1] Cc1cc(C)c2sc(nc2c1)N(C(=O)c1ccc(F)cc1)[*:1]
Cc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3)nc2c1 C1CN(CCO1)C[*:1] Cc1cc(C)c2sc(nc2c1)N(CC[*:1])C(=O)c1ccc(F)cc1
Cc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3)nc2c1 C1CN(CCO1)CC[*:1] Cc1cc(C)c2sc(nc2c1)N(C[*:1])C(=O)c1ccc(F)cc1
Cc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3)nc2c1 C1CN(CCO1)[*:1] Cc1cc(C)c2sc(nc2c1)N(CCC[*:1])C(=O)c1ccc(F)cc1
O=C(Cc1c[nH]c2ccccc12)NCCN1C(=O)CNC1=O O=C1CNC(=O)N1[*:1] O=C(Cc1c[nH]c2ccccc12)NCC[*:1]
Cc1ccc([C@@H](CNCc2cccc(C#N)c2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](CNCc1cccc(C#N)c1)[*:1]
Cc1ccc([C@@H](CNCc2cccc(C#N)c2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] N#Cc1cccc(c1)CNC[C@@H](N1CCOCC1)[*:1]
Cc1ccc([C@@H](CNCc2cccc(C#N)c2)N2CCOCC2)cc1 N#Cc1cccc(c1)[*:1] Cc1ccc(cc1)[C@@H](CNC[*:1])N1CCOCC1
C=CCN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] C=CCN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
C=CCN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 c1csc(c1)C[*:1] C=CCN(C(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)OC)[*:1]
C=CCN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)OC
C=CCN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 C=CC[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N(Cc1cccs1)[*:1]
COc1cc(C(=O)N(C)C)ccc1NC(=O)N(C)C1CCCCC1 C1CCC(CC1)[*:1] COc1cc(ccc1NC(=O)N(C)[*:1])C(=O)N(C)C
COc1cc(C(=O)N(C)C)ccc1NC(=O)N(C)C1CCCCC1 CN(C)C(=O)[*:1] COc1cc(ccc1NC(=O)N(C)C1CCCCC1)[*:1]
CC(C)(C)C(=O)NCCC1=CCCCC1 CC(C)(C)[*:1] O=C(NCCC1=CCCCC1)[*:1]
Cc1cccc(-c2nc(CN3CCOCC3)c(C)o2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)-c1nc(C[*:1])c(C)o1
CC(C)C[C@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)Cc1cccc(C#N)c1 N#Cc1cccc(c1)C[*:1] CC(C)C[C@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)[*:1]
CC(C)C[C@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)Cc1cccc(C#N)c1 c1cc2cc(ccc2[nH]1)[*:1] CC(C)C[C@H](C)N(S(=O)(=O)Cc1cccc(C#N)c1)[*:1]
CC(C)C[C@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)Cc1cccc(C#N)c1 CC(C)[*:1] C[C@@H](C[*:1])N(c1ccc2[nH]ccc2c1)S(=O)(=O)Cc1cccc(C#N)c1
CC(C)C[C@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)Cc1cccc(C#N)c1 CC(C)C[*:1] C[C@H](N(c1ccc2[nH]ccc2c1)S(=O)(=O)Cc1cccc(C#N)c1)[*:1]
CC(C)C[C@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)Cc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)C[C@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)C[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)N(C)Cc2ccncc2)cc1 c1cc(ccn1)C[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)N(C)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)N(C)Cc2ccncc2)cc1 c1cc(ccn1)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)N(C)C[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)N(C)Cc2ccncc2)cc1 CC(C)C(=O)N[*:1] CN(Cc1ccncc1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)N(C)Cc2ccncc2)cc1 CC(C)[*:1] CN(Cc1ccncc1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1[nH]ncc1CCCNC(=O)N(C)Cc1ccc2c(c1)OCO2 Cc1[nH]ncc1C[*:1] CN(Cc1ccc2OCOc2c1)C(=O)NCC[*:1]
Cc1[nH]ncc1CCCNC(=O)N(C)Cc1ccc2c(c1)OCO2 Cc1[nH]ncc1[*:1] CN(Cc1ccc2OCOc2c1)C(=O)NCCC[*:1]
Cc1[nH]ncc1CCCNC(=O)N(C)Cc1ccc2c(c1)OCO2 Cc1[nH]ncc1CC[*:1] CN(Cc1ccc2OCOc2c1)C(=O)NC[*:1]
CCCC(=O)N1CCC(c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 CCC[*:1] O=C(Nc1ccc2OCOc2c1)c1nnc(s1)C1CCN(CC1)C(=O)[*:1]
CCCC(=O)N1CCC(c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 c1cc2OCOc2cc1[*:1] CCCC(=O)N1CCC(CC1)c1nnc(s1)C(=O)N[*:1]
N#Cc1ccc(-c2ccc3c(c2)OCO3)nc1SCC(=O)NCc1ccccc1 c1cc2OCOc2cc1[*:1] N#Cc1ccc(nc1SCC(=O)NCc1ccccc1)[*:1]
N#Cc1ccc(-c2ccc3c(c2)OCO3)nc1SCC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N#Cc1ccc(nc1SCC(=O)NC[*:1])-c1ccc2OCOc2c1
N#Cc1ccc(-c2ccc3c(c2)OCO3)nc1SCC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] N#Cc1ccc(nc1SCC(=O)N[*:1])-c1ccc2OCOc2c1
C[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C O=C([O-])CC[*:1] C[C@H](NC(=O)OC(C)(C)C)[*:1]
C[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H](CCC(=O)[O-])NC(=O)O[*:1]
C[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C O=C([O-])C[*:1] C[C@H](C[*:1])NC(=O)OC(C)(C)C
C[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C O=C([O-])[*:1] C[C@H](CC[*:1])NC(=O)OC(C)(C)C
Cc1cccc(N2C(=O)/C(=C/c3csc(-c4ccccn4)n3)c3ccccc3C2=O)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)N1C(=O)/C(=C/c2csc(n2)[*:1])c2ccccc2C1=O
Cc1cccc(N2C(=O)/C(=C/c3csc(-c4ccccn4)n3)c3ccccc3C2=O)c1 Cc1cccc(c1)[*:1] O=C1/C(=C/c2csc(n2)-c2ccccn2)c2ccccc2C(=O)N1[*:1]
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H](C)C1CCOCC1 CC(C)(C)[*:1] CO[C@H]1CN(C[C@@H]1[NH2+][C@H](C)C1CCOCC1)C(=O)O[*:1]
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H](C)C1CCOCC1 C1CC(CCO1)[*:1] CO[C@H]1CN(C[C@@H]1[NH2+][C@H](C)[*:1])C(=O)OC(C)(C)C
CCc1cnc(NC(=O)CNC(=O)c2ccccn2)s1 c1ccc(nc1)[*:1] CCc1cnc(NC(=O)CNC(=O)[*:1])s1
CCOC(=O)CCSCC(C)C CC(C)C[*:1] CCOC(=O)CCS[*:1]
CCOC(=O)CCSCC(C)C CC(C)[*:1] CCOC(=O)CCSC[*:1]
CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(F)cc2F)C1 CC(=O)N[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)N1CCC[C@H](C1)[*:1]
O=C(c1ccco1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
O=C(c1ccco1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 c1coc(c1)[*:1] O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
CC[C@@H](C)NC(=O)Cn1ncc2c1-c1ccccc1OC2 CC[C@@H](C)NC(=O)[*:1] c1ccc2c(c1)OCc1cnn(C[*:1])c1-2
CC[C@@H](C)NC(=O)Cn1ncc2c1-c1ccccc1OC2 CC[C@@H](C)[*:1] O=C(Cn1ncc2COc3ccccc3-c21)N[*:1]
Cn1c(=O)c([N+](=O)[O-])c(N2CCCC2)c2ccccc21 O=[N+]([O-])[*:1] Cn1c(=O)c(c(c2ccccc21)N1CCCC1)[*:1]
Cn1c(=O)c([N+](=O)[O-])c(N2CCCC2)c2ccccc21 C1CCN(C1)[*:1] Cn1c(=O)c(c(c2ccccc21)[*:1])[N+](=O)[O-]
Cc1cc(CS[C@@H](C)c2nc(C(C)(C)C)no2)on1 Cc1cc(on1)[*:1] C[C@H](SC[*:1])c1nc(no1)C(C)(C)C
Cc1cc(CS[C@@H](C)c2nc(C(C)(C)C)no2)on1 CC(C)(C)[*:1] Cc1cc(CS[C@@H](C)c2nc(no2)[*:1])on1
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)nc1 N#Cc1ccc(cc1)[*:1] C[NH+](C)CCN(C[*:1])S(=O)(=O)c1ccc(Cl)nc1
C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)[*:1]
C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C(=O)N[*:1]
C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1 O=[N+]([O-])[*:1] C[C@@H](Nc1ccc(cc1[*:1])C(F)(F)F)C(=O)NCc1ccccc1
C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C(=O)NC[*:1]
C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1 FC(F)(F)[*:1] C[C@@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])C(=O)NCc1ccccc1
O=C(Nc1ccccc1F)[C@@H]1CC([O-])=Nc2nc3ccccc3n21 Fc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CC([O-])=Nc2nc3ccccc3n21
CSc1nc(Cl)cc(NCC2CCN(C(=O)OC(C)(C)C)CC2)n1 CC(C)(C)[*:1] CSc1nc(Cl)cc(n1)NCC1CCN(CC1)C(=O)O[*:1]
CC(C)Oc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 C1CC1[*:1] CC(C)Oc1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)Oc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 CC(C)O[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)C(=O)C1CC1
CC(C)Oc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)O[*:1])C1CCN(CC1)C(=O)C1CC1
COc1cccc([C@@]2(C)NC(=O)N(CC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)c1 COc1cccc(c1)[*:1] CN(C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1])[C@H]1CCS(=O)(=O)C1
CN(C)C(=O)Cc1ccccc1NC(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)NCC[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)NC[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)NCCc1ccc(F)cc1 CN(C)C(=O)C[*:1] O=C(NCCc1ccc(F)cc1)Nc1ccccc1[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)NCCc1ccc(F)cc1 CN(C)C(=O)[*:1] O=C(NCCc1ccc(F)cc1)Nc1ccccc1C[*:1]
C[C@H]1CN(C(=O)c2cccc(OCC(F)(F)F)n2)C(C)(C)CO1 FC(F)(F)[*:1] C[C@H]1CN(C(=O)c2cccc(n2)OC[*:1])C(C)(C)CO1
C[C@H]1CN(C(=O)c2cccc(OCC(F)(F)F)n2)C(C)(C)CO1 FC(F)(F)C[*:1] C[C@H]1CN(C(=O)c2cccc(n2)O[*:1])C(C)(C)CO1
C[C@H]1CN(C(=O)c2cccc(OCC(F)(F)F)n2)C(C)(C)CO1 FC(F)(F)CO[*:1] C[C@H]1CN(C(=O)c2cccc(n2)[*:1])C(C)(C)CO1
Cc1ccccc1C(C)(C)CNC(=O)N1C[C@@H](C)O[C@H](C)C1 Cc1ccccc1[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)NCC(C)(C)[*:1]
CC(C)(C)c1n[nH]c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] CC(C)(C)c1n[nH]c(n1)Sc1ccc(cc1[*:1])C(F)(F)F
CC(C)(C)c1n[nH]c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 CC(C)(C)[*:1] O=[N+]([O-])c1cc(ccc1Sc1nc(n[nH]1)[*:1])C(F)(F)F
CC(C)(C)c1n[nH]c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 FC(F)(F)[*:1] CC(C)(C)c1n[nH]c(n1)Sc1ccc(cc1[N+](=O)[O-])[*:1]
CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(s1)S(=O)(=O)CC2 c1ccc(cc1)C[*:1] CC(C)CNC(=O)[C@H](NC(=O)c1cc2CCS(=O)(=O)c2s1)[*:1]
CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(s1)S(=O)(=O)CC2 c1ccc(cc1)[*:1] CC(C)CNC(=O)[C@H](C[*:1])NC(=O)c1cc2CCS(=O)(=O)c2s1
CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(s1)S(=O)(=O)CC2 CC(C)CNC(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1cc2CCS(=O)(=O)c2s1
CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(s1)S(=O)(=O)CC2 CC(C)C[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1cc2CCS(=O)(=O)c2s1
CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(s1)S(=O)(=O)CC2 CC(C)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)NC[*:1])c1cc2CCS(=O)(=O)c2s1
CCNC(=O)CC[NH+]1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 CCNC(=O)[*:1] Cc1ccc(cc1)-c1noc(CN2CC[NH+](CC2)CC[*:1])n1
CCNC(=O)CC[NH+]1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 CCNC(=O)CC[*:1] Cc1ccc(cc1)-c1noc(CN2CC[NH+](CC2)[*:1])n1
CCNC(=O)CC[NH+]1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 CCNC(=O)C[*:1] Cc1ccc(cc1)-c1noc(CN2CC[NH+](CC2)C[*:1])n1
CCNC(=O)CC[NH+]1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 Cc1ccc(cc1)[*:1] CCNC(=O)CC[NH+]1CCN(CC1)Cc1nc(no1)[*:1]
COc1ccc(NS(=O)(=O)N2CCCCC2)cc1OCC(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1OC[*:1])NS(=O)(=O)N1CCCCC1
COc1ccc(NS(=O)(=O)N2CCCCC2)cc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1ccc(cc1[*:1])NS(=O)(=O)N1CCCCC1
COc1ccc(NS(=O)(=O)N2CCCCC2)cc1OCC(F)(F)F FC(F)(F)C[*:1] COc1ccc(cc1O[*:1])NS(=O)(=O)N1CCCCC1
COC(=O)Nc1ccccc1C(=O)NCc1cc(C#N)ccc1F COC(=O)N[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1ccccc1[*:1]
O=S(=O)(CCO)NCc1ccccn1 OCC[*:1] O=S(=O)(NCc1ccccn1)[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)c3ccc4c5c(cccc35)CC4)CC2)c1 COc1ccc(OC)c(c1)[*:1] O=C(c1ccc2CCc3cccc1c32)N1CCN(CC1)C[*:1]
Cc1ccc(O)c([C@@H](CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(O)c(c1)[C@@H](CC(=O)N1CCN(CC1)Cc1ccccc1)[*:1]
Cc1ccc(O)c([C@@H](CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(O)c(c1)[C@@H](CC(=O)N1CCN(CC1)[*:1])c1ccccc1
Cc1ccc(O)c([C@@H](CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2)c1 Cc1ccc(O)c(c1)[*:1] O=C(C[C@@H](c1ccccc1)[*:1])N1CCN(CC1)Cc1ccccc1
Cc1ccc(O)c([C@@H](CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(O)c(c1)[C@@H](CC(=O)N1CCN(CC1)C[*:1])c1ccccc1
CCC[NH2+]C[C@H](Cc1csc(C)n1)c1cccc(Cl)c1 CCC[*:1] Cc1nc(cs1)C[C@@H](C[NH2+][*:1])c1cccc(Cl)c1
CCC[NH2+]C[C@H](Cc1csc(C)n1)c1cccc(Cl)c1 Cc1nc(cs1)[*:1] CCC[NH2+]C[C@H](C[*:1])c1cccc(Cl)c1
O=C(c1csc(-c2ccsc2)n1)N1CCSc2ccncc21 c1cc(cs1)[*:1] O=C(c1csc(n1)[*:1])N1CCSc2ccncc21
CC(=O)c1cccc(OC[C@H](O)CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 Clc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)OC[C@H](O)CN1CCO[C@H](C1)[*:1]
CC(=O)c1cccc(OC[C@H](O)CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 CC(=O)c1cccc(c1)[*:1] O[C@@H](CO[*:1])CN1CCO[C@@H](C1)c1ccc(Cl)cc1
CC(=O)c1cccc(OC[C@H](O)CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 CC(=O)[*:1] O[C@@H](COc1cccc(c1)[*:1])CN1CCO[C@@H](C1)c1ccc(Cl)cc1
C[C@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1nnc(-c2cccs2)o1 Clc1cccc(c1)[*:1] C[C@H](Sc1nnc(N2CCCC2)n1[*:1])c1nnc(o1)-c1cccs1
C[C@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1nnc(-c2cccs2)o1 c1csc(c1)-c1nnc(o1)[*:1] C[C@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)[*:1]
C[C@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1nnc(-c2cccs2)o1 C1CCN(C1)[*:1] C[C@H](Sc1nnc(n1-c1cccc(Cl)c1)[*:1])c1nnc(o1)-c1cccs1
C[C@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1nnc(-c2cccs2)o1 c1csc(c1)[*:1] C[C@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1nnc(o1)[*:1]
C[C@@]1(C(=O)N(CCO)CCO)CCCO1 OCC[*:1] C[C@]1(CCCO1)C(=O)N(CCO)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 Cc1ccccc1[C@@H](C)[*:1] O=C(Nc1ccc(cc1)OC1CCCC1)C(=O)N[*:1]
Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 Cc1ccccc1[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)OC1CCCC1)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCN(C(=O)c2ccco2)CC1 O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)C[NH+]1CCN(CC1)C(=O)c1ccco1)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] COc1cc(ccc1NC(=O)C[NH+]1CCN(CC1)C(=O)[*:1])[N+](=O)[O-]
CC(=O)N1CCCc2cc(NC(=O)[C@@H](C)Cc3c(C)n[nH]c3C)ccc21 Cc1n[nH]c(C)c1[*:1] CC(=O)N1CCCc2cc(ccc21)NC(=O)[C@@H](C)C[*:1]
CC(=O)N1CCCc2cc(NC(=O)[C@@H](C)Cc3c(C)n[nH]c3C)ccc21 Cc1n[nH]c(C)c1C[*:1] CC(=O)N1CCCc2cc(ccc21)NC(=O)[C@@H](C)[*:1]
Cc1nc2c(s1)[C@H]([NH2+]CCOc1ccccc1Cl)CCC2 Clc1ccccc1[*:1] Cc1nc2CCC[C@@H]([NH2+]CCO[*:1])c2s1
C#CCNC(=O)N(C)Cc1ccccc1Cl C#CC[*:1] CN(Cc1ccccc1Cl)C(=O)N[*:1]
COc1cc([C@H]2[C@@H]3C(=O)C[C@H](c4ccco4)CC3=Nc3nc(C)nn32)cc(OC)c1OC c1coc(c1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2C(=O)C[C@H](CC2=Nc2nc(C)nn21)[*:1]
Cc1ccc(OCCCNC(=O)Cc2ccc(C)c(O)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1O)CC(=O)NCCCO[*:1]
COCCN1CC2(CCC1=O)CCN(c1nc(C)cc(C3CCC3)n1)CC2 COC[*:1] Cc1cc(nc(n1)N1CCC2(CCC(=O)N(C2)C[*:1])CC1)C1CCC1
COCCN1CC2(CCC1=O)CCN(c1nc(C)cc(C3CCC3)n1)CC2 C1CC(C1)[*:1] COCCN1CC2(CCC1=O)CCN(CC2)c1nc(C)cc(n1)[*:1]
COCCN1CC2(CCC1=O)CCN(c1nc(C)cc(C3CCC3)n1)CC2 COCC[*:1] Cc1cc(nc(n1)N1CCC2(CCC(=O)N(C2)[*:1])CC1)C1CCC1
CCOC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 CCO[*:1] O=[N+]([O-])c1ccc(cc1F)CN1CCC(CC1)[*:1]
CCOC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 O=[N+]([O-])[*:1] CCOC1CCN(CC1)Cc1ccc(c(F)c1)[*:1]
CCOC(=O)c1ccc(NC(=O)[C@@H](C)OC)cc1 CO[C@H](C)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[*:1]
CCOC(=O)c1ccc(NC(=O)[C@@H](C)OC)cc1 CCOC(=O)[*:1] CO[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl c1coc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1cc(ccc1Cl)S(=O)(=O)N1CCCC1
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl O=S(=O)(N1CCCC1)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(ccc1Cl)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2C)c1 Cc1ccccc1C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccccc1CNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2C)c1 Cc1ccccc1[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC[*:1]
O=C(NCCCN1CCCCCC1=O)c1cccs1 c1csc(c1)[*:1] O=C1CCCCCN1CCCNC(=O)[*:1]
Cn1nc([C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)cc1C[NH+](C)C Clc1cccc(c1)[*:1] Cn1nc(cc1C[NH+](C)C)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])N1CCCc2ccccc21
CCCC(=O)Nc1cccc[n+]1Cc1ccccc1 c1ccc(cc1)[*:1] CCCC(=O)Nc1cccc[n+]1C[*:1]
CCCC(=O)Nc1cccc[n+]1Cc1ccccc1 CCCC(=O)N[*:1] c1ccc(cc1)C[n+]1ccccc1[*:1]
CCCC(=O)Nc1cccc[n+]1Cc1ccccc1 CCC[*:1] O=C(Nc1cccc[n+]1Cc1ccccc1)[*:1]
CC(C)[C@H](C)N(C1CC1)S(=O)(=O)N1CCc2ccccc2C1 C1CC1[*:1] CC(C)[C@H](C)N(S(=O)(=O)N1CCc2ccccc2C1)[*:1]
CC(C)[C@H](C)N(C1CC1)S(=O)(=O)N1CCc2ccccc2C1 CC(C)[*:1] C[C@H](N(C1CC1)S(=O)(=O)N1CCc2ccccc2C1)[*:1]
CC[C@H](CCO)CNC(=O)c1c(F)cccc1OC CC[C@H](CCO)[*:1] COc1cccc(F)c1C(=O)NC[*:1]
CC[C@H](CCO)CNC(=O)c1c(F)cccc1OC OCC[*:1] CC[C@H](CNC(=O)c1c(F)cccc1OC)[*:1]
O=C(Nc1ccccc1O)c1ccc(COCC(F)(F)F)cc1 FC(F)(F)C[*:1] O=C(Nc1ccccc1O)c1ccc(cc1)CO[*:1]
O=C(Nc1ccccc1O)c1ccc(COCC(F)(F)F)cc1 FC(F)(F)COC[*:1] O=C(Nc1ccccc1O)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1O)c1ccc(COCC(F)(F)F)cc1 FC(F)(F)CO[*:1] O=C(Nc1ccccc1O)c1ccc(cc1)C[*:1]
O=C(Nc1ccccc1O)c1ccc(COCC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Nc1ccccc1O)c1ccc(cc1)COC[*:1]
O=C(Nc1ccccc1O)c1ccc(COCC(F)(F)F)cc1 Oc1ccccc1[*:1] O=C(N[*:1])c1ccc(cc1)COCC(F)(F)F
Cc1nc(-c2cccc(CNC(=O)C(=O)c3c(C)nn(C)c3C)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)NCc1cccc(c1)[*:1]
Cc1nc(-c2cccc(CNC(=O)C(=O)c3c(C)nn(C)c3C)c2)n[nH]1 Cc1nn(C)c(C)c1[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)C(=O)[*:1]
CCCNC(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] CCCNC(=O)Nc1ccc(cc1)OC[*:1]
CCCNC(=O)Nc1ccc(OCC(F)(F)F)cc1 CCC[*:1] O=C(Nc1ccc(cc1)OCC(F)(F)F)N[*:1]
CCCNC(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] CCCNC(=O)Nc1ccc(cc1)O[*:1]
CCCNC(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] CCCNC(=O)Nc1ccc(cc1)[*:1]
COCC[C@H](C)NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] COCC[C@H](C)NC(=O)N1CC[C@H]([C@H]1C)[*:1]
COCC[C@H](C)NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C COCC[*:1] C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[*:1]
COCC[C@H](C)NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C COCC[C@H](C)[*:1] C[C@@H]1[C@H](CCN1C(=O)N[*:1])C(=O)[O-]
COCC[C@H](C)NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C COC[*:1] C[C@@H](C[*:1])NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C
CCn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)cn1 Fc1ccccc1[*:1] CCn1cc(cn1)NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1[*:1]
CCn1cc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2F)cn1 CCn1cc(cn1)[*:1] CN1C(=O)CO[C@@H](C(=O)N[*:1])[C@@H]1c1ccccc1F
COc1ccc(-c2ccnc3nc(CCc4ccc(OC)c(OC)c4)nn23)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCc1nc2nccc(n2n1)[*:1]
Cc1cc(S(=O)(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)c(F)cc1F c1ccc(cc1)[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)NC[C@@H]1CCO[C@H]1[*:1]
Cc1noc(C)c1CSCC(=O)N(C)[C@H](C)CC(C)C CC(C)[*:1] Cc1noc(C)c1CSCC(=O)N(C)[C@H](C)C[*:1]
Cc1noc(C)c1CSCC(=O)N(C)[C@H](C)CC(C)C CC(C)C[*:1] Cc1noc(C)c1CSCC(=O)N(C)[C@H](C)[*:1]
Cc1noc(C)c1CSCC(=O)N(C)[C@H](C)CC(C)C CC(C)C[C@@H](C)[*:1] Cc1noc(C)c1CSCC(=O)N(C)[*:1]
CSc1ccc(NC(=O)Cn2cc(NC(C)=O)cn2)cc1 CC(=O)N[*:1] CSc1ccc(cc1)NC(=O)Cn1cc(cn1)[*:1]
Cc1c(C(=O)NCCCn2cccn2)cnn1C c1cnn(c1)C[*:1] Cc1c(cnn1C)C(=O)NCC[*:1]
Cc1c(C(=O)NCCCn2cccn2)cnn1C c1cnn(c1)[*:1] Cc1c(cnn1C)C(=O)NCCC[*:1]
CCN(C)C(=O)c1cccc(C(=O)NCC[C@@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] CCN(C)C(=O)c1cccc(c1)C(=O)NCC[C@@H](O)[*:1]
CCN(C)C(=O)c1cccc(C(=O)NCC[C@@H](O)c2ccccc2)c1 CCN(C)C(=O)[*:1] O=C(NCC[C@@H](O)c1ccccc1)c1cccc(c1)[*:1]
CCN(C)C(=O)c1cccc(C(=O)NCC[C@@H](O)c2ccccc2)c1 O[C@@H](c1ccccc1)[*:1] CCN(C)C(=O)c1cccc(c1)C(=O)NCC[*:1]
COc1ccc(C(C)(C)C)cc1C(=O)Cl O=C(Cl)[*:1] COc1ccc(cc1[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1C(=O)Cl CC(C)(C)[*:1] COc1ccc(cc1C(=O)Cl)[*:1]
CCn1nc(C(=O)NCCc2cccc(F)c2)c(=O)c2cc(F)ccc21 Fc1cccc(c1)[*:1] CCn1nc(C(=O)NCC[*:1])c(=O)c2cc(F)ccc21
CCn1nc(C(=O)NCCc2cccc(F)c2)c(=O)c2cc(F)ccc21 Fc1cccc(c1)C[*:1] CCn1nc(C(=O)NC[*:1])c(=O)c2cc(F)ccc21
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(C)cc2)[nH]c1=O CCc1c(C)nc([nH]c1=O)[*:1] Cc1ccc(cc1)C(=O)Nc1cc(nn1[*:1])-c1cccs1
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(C)cc2)[nH]c1=O c1csc(c1)[*:1] CCc1c(C)nc([nH]c1=O)-n1nc(cc1NC(=O)c1ccc(C)cc1)[*:1]
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(C)cc2)[nH]c1=O Cc1ccc(cc1)C(=O)N[*:1] CCc1c(C)nc([nH]c1=O)-n1nc(cc1[*:1])-c1cccs1
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(C)cc2)[nH]c1=O Cc1ccc(cc1)[*:1] CCc1c(C)nc([nH]c1=O)-n1nc(cc1NC(=O)[*:1])-c1cccs1
Cc1cc(C)c(C)c(OC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c1 CC(C)[*:1] Cc1cc(C)c(C)c(c1)OC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2cn(C)nc2C)c1 Cc1nn(C)cc1[*:1] COC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N[C@@H](C)[*:1]
COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2cn(C)nc2C)c1 COC(=O)[*:1] Cc1nn(C)cc1[C@H](C)NS(=O)(=O)c1cc(ccc1Cl)[*:1]
C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc2c(c1)OCCCO2 c1ccc(nc1)[*:1] C[C@H]([NH2+][C@@H]1CCN(C1)[*:1])c1ccc2OCCCOc2c1
COCc1cc(NC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)ncn1 c1cnn(c1)[*:1] COCc1cc(ncn1)NC(=O)N[C@H](C)c1cccc(c1)[*:1]
COCc1cc(NC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)ncn1 COC[*:1] C[C@@H](NC(=O)Nc1cc(ncn1)[*:1])c1cccc(c1)-n1cccn1
COc1ccc(OC(=O)[C@H]2CCO[C@@H]2C)c(C(C)(C)C)c1 CC(C)(C)[*:1] COc1ccc(OC(=O)[C@H]2CCO[C@@H]2C)c(c1)[*:1]
COc1ccccc1-c1nc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cs1 COc1ccccc1[*:1] O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1csc(n1)[*:1]
CC(C)CC[C@@H](C)NC(=O)N1CCc2ccccc21 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)N1CCc2ccccc21
CC(C)CC[C@@H](C)NC(=O)N1CCc2ccccc21 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)N1CCc2ccccc21
CC(C)CC[C@@H](C)NC(=O)N1CCc2ccccc21 CC(C)CC[*:1] C[C@@H](NC(=O)N1CCc2ccccc21)[*:1]
COc1ccc(CCNC(=O)[C@@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)cc1OC COc1ccc(cc1OC)[*:1] CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCC[*:1]
C/C=C/c1cc(C(=O)NCc2ccc(-n3cncn3)nc2)cc(OC)c1OC CC=C[*:1] COc1cc(cc(c1OC)[*:1])C(=O)NCc1ccc(nc1)-n1cncn1
C/C=C/c1cc(C(=O)NCc2ccc(-n3cncn3)nc2)cc(OC)c1OC c1ncn(n1)[*:1] C/C=C/c1cc(cc(OC)c1OC)C(=O)NCc1ccc(nc1)[*:1]
CCOc1ccccc1N[C@H](C)[C@@H](C)O C[C@@H](O)[*:1] CCOc1ccccc1N[C@H](C)[*:1]
CCOc1ccccc1N[C@H](C)[C@@H](C)O CCO[*:1] C[C@@H](O)[C@@H](C)Nc1ccccc1[*:1]
O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)NCC(F)(F)F FC(F)(F)C[*:1] O=C(COC(=O)c1cc2OCCOc2cc1[N+](=O)[O-])N[*:1]
O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)NCC(F)(F)F O=[N+]([O-])[*:1] O=C(COC(=O)c1cc2OCCOc2cc1[*:1])NCC(F)(F)F
O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)NCC(F)(F)F FC(F)(F)[*:1] O=C(COC(=O)c1cc2OCCOc2cc1[N+](=O)[O-])NC[*:1]
O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] O=C(OC[*:1])c1cc2OCCOc2cc1[N+](=O)[O-]
CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccco2)NC(=O)N1 CC(C)C[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OC[*:1])c1ccco1
CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccco2)NC(=O)N1 c1coc(c1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)OCCC(C)C)[*:1]
CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccco2)NC(=O)N1 CC(C)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OCC[*:1])c1ccco1
CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccco2)NC(=O)N1 CC(C)CC[*:1] CC1NC(=O)N[C@@H](C=1C(=O)O[*:1])c1ccco1
C[C@H](CNC(=O)CCc1ccc(C#N)cc1)N1CCc2ccccc21 N#Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)CC[*:1])N1CCc2ccccc21
O=C(CO/N=C/c1ccccc1F)N1CCc2ccccc21 Fc1ccccc1[*:1] O=C(CON=C[*:1])N1CCc2ccccc21
Cc1cc(C)c(NC(=O)COc2ccccc2C(=O)NC2CCCC2)c(C)c1 C1CCC(C1)[*:1] Cc1cc(C)c(NC(=O)COc2ccccc2C(=O)N[*:1])c(C)c1
Cc1cc(C)c(NC(=O)COc2ccccc2C(=O)NC2CCCC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(COc1ccccc1C(=O)NC1CCCC1)N[*:1]
Cc1cc(C)c(NC(=O)COc2ccccc2C(=O)NC2CCCC2)c(C)c1 O=C(NC1CCCC1)[*:1] Cc1cc(C)c(NC(=O)COc2ccccc2[*:1])c(C)c1
Cc1cccc(N2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1cccc(c1)N1CCN(CC1)Cn1cnc(n1)[*:1]
Cc1cccc(N2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 Cc1cccc(c1)[*:1] O=[N+]([O-])c1cccc(c1)-c1ncn(CN2CCN(CC2)[*:1])n1
Cc1cccc(N2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)N1CCN(CC1)Cn1cnc(n1)-c1cccc(c1)[*:1]
C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)[*:1]
C[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(S(N)(=O)=O)cc1 c1cnn(c1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(S(N)(=O)=O)cc1 c1cnn(c1)C[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)c1ccc(cc1)Cn1cccn1)c1ccc(cc1)[*:1]
Cc1cc(C)c(-c2ccn(C(=O)c3snnc3C)n2)[nH]1 Cc1nnsc1[*:1] Cc1cc(C)c([nH]1)-c1ccn(n1)C(=O)[*:1]
Cn1ccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1=O Clc1ccc(cc1)[*:1] Cn1ccc(cc1=O)C(=O)NC[C@H](O)[*:1]
Clc1ccc(SCCN2CC[NH+](CC3CC3)CC2)cc1 C1CC1[*:1] Clc1ccc(cc1)SCCN1CC[NH+](CC1)C[*:1]
Clc1ccc(SCCN2CC[NH+](CC3CC3)CC2)cc1 C1CC1C[*:1] Clc1ccc(cc1)SCCN1CC[NH+](CC1)[*:1]
CCC(=O)Nc1ccccc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2cccc(C#N)c2)c1=O N#Cc1cccc(c1)[*:1] CCC(=O)Nc1ccccc1-c1nc2ccccc2n(c1=O)[C@@H](C)C(=O)N[*:1]
CCC(=O)Nc1ccccc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2cccc(C#N)c2)c1=O CCC(=O)N[*:1] C[C@@H](C(=O)Nc1cccc(C#N)c1)n1c(=O)c(nc2ccccc21)-c1ccccc1[*:1]
CCC(=O)Nc1ccccc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2cccc(C#N)c2)c1=O CCC(=O)Nc1ccccc1[*:1] C[C@@H](C(=O)Nc1cccc(C#N)c1)n1c(=O)c(nc2ccccc21)[*:1]
CCC(=O)Nc1ccccc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2cccc(C#N)c2)c1=O N#Cc1cccc(c1)NC(=O)[*:1] CCC(=O)Nc1ccccc1-c1nc2ccccc2n(c1=O)[C@@H](C)[*:1]
c1cncc(CNCC2([NH+]3CCCCC3)CCCCC2)c1 c1cncc(c1)[*:1] C1CC[NH+](CC1)C1(CCCCC1)CNC[*:1]
c1cncc(CNCC2([NH+]3CCCCC3)CCCCC2)c1 c1cncc(c1)C[*:1] C1CC[NH+](CC1)C1(CCCCC1)CN[*:1]
CC(C)[C@H]([NH3+])c1nc(-c2ccoc2)cs1 c1cc(co1)[*:1] CC(C)[C@H]([NH3+])c1nc(cs1)[*:1]
CC(C)[C@H]([NH3+])c1nc(-c2ccoc2)cs1 CC(C)[*:1] [NH3+][C@H](c1nc(cs1)-c1ccoc1)[*:1]
CC1CCN(S(=O)(=O)NC[C@H]2CCOC2)CC1 C1C[C@@H](CO1)[*:1] CC1CCN(CC1)S(=O)(=O)NC[*:1]
COc1cc(OC)c(NC(=O)[C@H]2CCC(=O)N2[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1Cl COc1cc(OC)c(cc1Cl)[*:1] COc1ccc2c(C(=O)O[C@H]2N2C(=O)CC[C@@H]2C(=O)N[*:1])c1OC
COC(=O)[C@H]1CCC[C@H]1NC(=O)CCCc1cc(F)ccc1F COC(=O)[*:1] O=C(CCCc1cc(F)ccc1F)N[C@@H]1CCC[C@@H]1[*:1]
O=C(NCCCn1cc[nH+]c1)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(NCCCn1cc[nH+]c1)c1cc([nH]n1)[*:1]
C[C@@H](NC(=O)NCc1ccc(Cl)s1)c1ccc2c(c1)CCO2 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc2OCCc2c1
C[C@@H](NC(=O)NCc1ccc(Cl)s1)c1ccc2c(c1)CCO2 Clc1ccc(C[*:1])s1 C[C@@H](NC(=O)N[*:1])c1ccc2OCCc2c1
O=C(NCC1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1)c1c[nH]c(-c2n[nH]c3ncccc23)c1 O=C(Nc1ccc(F)c(F)c1)[*:1] O=C(NCC1CCC(CC1)[*:1])c1c[nH]c(c1)-c1n[nH]c2ncccc12
O=C(NCC1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1)c1c[nH]c(-c2n[nH]c3ncccc23)c1 Fc1ccc(cc1F)[*:1] O=C(NCC1CCC(CC1)C(=O)N[*:1])c1c[nH]c(c1)-c1n[nH]c2ncccc12
Cc1noc(C)c1NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 c1ccc(cc1)[*:1] Cc1noc(C)c1NC(=O)N1CCN(C[*:1])C(C)(C)C1
Cc1noc(C)c1NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 c1ccc(cc1)C[*:1] Cc1noc(C)c1NC(=O)N1CCN(C(C)(C)C1)[*:1]
Cc1noc(C)c1NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 Cc1noc(C)c1[*:1] CC1(C)CN(CCN1Cc1ccccc1)C(=O)N[*:1]
O=C(CCC(F)(F)F)NCc1ccc(Cl)nc1 FC(F)(F)C[*:1] O=C(C[*:1])NCc1ccc(Cl)nc1
O=C(CCC(F)(F)F)NCc1ccc(Cl)nc1 FC(F)(F)[*:1] O=C(CC[*:1])NCc1ccc(Cl)nc1
COCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2F)CC1 COC[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1ccc(F)cc1F
CC(C)[C@](C)(O)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 CC(C)[*:1] C[C@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)NC[C@](C)(O)[*:1]
CC(C)[C@](C)(O)CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)[C@](C)(O)CNC(=O)[C@H](C)Sc1ccc(cc1)[*:1]
C[NH+](C)CCN1C[C@@H](C(=O)Nc2nc(-c3cccs3)cs2)CC1=O c1csc(c1)[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)Nc1nc(cs1)[*:1]
C[C@H](c1ccncc1)N(C)C(=O)C1=NNC(=O)CC1 c1cc(ccn1)[*:1] C[C@H](N(C)C(=O)C1CCC(=O)NN=1)[*:1]
O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc2ncccc12 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1ccccc1[*:1])c1cccc2ncccc12
C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(N)n2)CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CCNc2ccc(c(N)n2)[*:1])CC1
CNc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 Fc1ccc(cc1)[*:1] CNc1nc(N[*:1])c2cnn(-c3ccccc3)c2n1
CNc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] CNc1nc(Nc2ccc(F)cc2)c2cnn(c2n1)[*:1]
CNc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 Fc1ccc(cc1)N[*:1] CNc1nc(c2cnn(-c3ccccc3)c2n1)[*:1]
Cc1ccc(OC[C@H](C)Nc2ncnc3ccsc23)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CO[*:1])Nc1ncnc2ccsc12
COC(=O)C[C@@H](C)NC(=O)Nc1cccc(CC(F)(F)F)c1 COC(=O)C[*:1] C[C@@H](NC(=O)Nc1cccc(c1)CC(F)(F)F)[*:1]
COC(=O)C[C@@H](C)NC(=O)Nc1cccc(CC(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)C[C@@H](C)NC(=O)Nc1cccc(c1)C[*:1]
COC(=O)C[C@@H](C)NC(=O)Nc1cccc(CC(F)(F)F)c1 COC(=O)C[C@@H](C)[*:1] O=C(Nc1cccc(c1)CC(F)(F)F)N[*:1]
COC(=O)C[C@@H](C)NC(=O)Nc1cccc(CC(F)(F)F)c1 FC(F)(F)C[*:1] COC(=O)C[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
COC(=O)C[C@@H](C)NC(=O)Nc1cccc(CC(F)(F)F)c1 COC(=O)[*:1] C[C@H](C[*:1])NC(=O)Nc1cccc(c1)CC(F)(F)F
CCC(CC)OC(=O)c1scnc1C1CC1 C1CC1[*:1] CCC(CC)OC(=O)c1scnc1[*:1]
CCC(CC)OC(=O)c1scnc1C1CC1 CCC(CC)[*:1] O=C(O[*:1])c1scnc1C1CC1
Nc1ccc2oc(CSc3n[nH]c(=O)n3C3CC3)nc2c1 C1CC1[*:1] Nc1ccc2oc(CSc3n[nH]c(=O)n3[*:1])nc2c1
CC(C)Oc1cccc(/C=C2\SC(=S)N=C2[O-])c1 CC(C)[*:1] [O-]C1=NC(=S)S/C1=C\c1cccc(c1)O[*:1]
CC(C)Oc1cccc(/C=C2\SC(=S)N=C2[O-])c1 CC(C)O[*:1] [O-]C1=NC(=S)S/C1=C\c1cccc(c1)[*:1]
CCCC[C@@]1(C)[NH2+]CCN2C(=O)CS[C@H]21 CCCC[*:1] C[C@]1([NH2+]CCN2C(=O)CS[C@H]21)[*:1]
CCCC[C@@]1(C)[NH2+]CCN2C(=O)CS[C@H]21 CCC[*:1] C[C@]1(C[*:1])[NH2+]CCN2C(=O)CS[C@H]21
C[C@]1(C2CC2)Nc2ccccc2C(=O)N1CCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[*:1])C1CC1
C[C@]1(C2CC2)Nc2ccccc2C(=O)N1CCc1ccccc1 C1CC1[*:1] C[C@@]1(Nc2ccccc2C(=O)N1CCc1ccccc1)[*:1]
C[C@]1(C2CC2)Nc2ccccc2C(=O)N1CCc1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(Nc2ccccc2C(=O)N1CC[*:1])C1CC1
Cc1csc(CCNC(=O)c2n[nH]c(C3CC3)n2)n1 Cc1csc(n1)[*:1] O=C(NCC[*:1])c1n[nH]c(n1)C1CC1
Cc1csc(CCNC(=O)c2n[nH]c(C3CC3)n2)n1 C1CC1[*:1] Cc1csc(CCNC(=O)c2n[nH]c(n2)[*:1])n1
CCc1nc2ccccc2n1C1CC[NH+](CCCO)CC1 OCCC[*:1] CCc1nc2ccccc2n1C1CC[NH+](CC1)[*:1]
CCc1nc2ccccc2n1C1CC[NH+](CCCO)CC1 OCC[*:1] CCc1nc2ccccc2n1C1CC[NH+](CC1)C[*:1]
CCCCS[C@@H](C)C(=O)/N=c1\[nH]c2ccccc2n1CC CCCC[*:1] CCn1/c(=N/C(=O)[C@H](C)S[*:1])[nH]c2ccccc21
CCCCS[C@@H](C)C(=O)/N=c1\[nH]c2ccccc2n1CC CCCCS[*:1] CCn1/c(=N/C(=O)[C@H](C)[*:1])[nH]c2ccccc21
CCCCS[C@@H](C)C(=O)/N=c1\[nH]c2ccccc2n1CC CCC[*:1] CCn1/c(=N/C(=O)[C@H](C)SC[*:1])[nH]c2ccccc21
O=C(COc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(COc1ccccc1F)N1CCC(CC1)[*:1]
O=C(COc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1 Fc1ccccc1[*:1] O=C(CO[*:1])N1CCC(CC1)c1ccc(F)cc1
O=C(COc1ccccc1F)N1CCC(c2ccc(F)cc2)CC1 Fc1ccccc1O[*:1] O=C(C[*:1])N1CCC(CC1)c1ccc(F)cc1
COc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(Cl)cccc3s2)cc1 COc1ccc(cc1)[*:1] C[NH+](C)CCCN(C(=O)[*:1])c1nc2c(Cl)cccc2s1
Cn1nc(-c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)c2ccccc2c1=O c1ccc(cc1)[*:1] Cn1nc(-c2ccc(c(c2)[N+](=O)[O-])N2CCN(CC2)[*:1])c2ccccc2c1=O
Cn1nc(-c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)c2ccccc2c1=O O=[N+]([O-])[*:1] Cn1nc(-c2ccc(c(c2)[*:1])N2CCN(CC2)c2ccccc2)c2ccccc2c1=O
C[C@@H](Cc1nnc(SCc2ccc3ccccc3n2)o1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1nnc(o1)SCc1ccc2ccccc2n1)[*:1]
C[C@@H](Cc1nnc(SCc2ccc3ccccc3n2)o1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] c1ccc2nc(ccc2c1)CSc1nnc(C[*:1])o1
COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 N#Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)C(=O)N[*:1])[NH+]1CCCC1
Cc1cc(F)ccc1S(=O)(=O)N1CCOC[C@H]1CCO OCC[*:1] Cc1cc(F)ccc1S(=O)(=O)N1CCOC[C@@H]1[*:1]
O=C([O-])[C@H]1CCC(=O)N(C[C@@H]2COc3ccccc32)C1 O=C([O-])[*:1] O=C1CC[C@@H](CN1C[C@@H]1COc2ccccc21)[*:1]
N#C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)CCO1 Clc1ccccc1[*:1] N#C[C@@H]1CN(CCO1)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
O=C(NNC(=O)c1c(O)cc(F)cc1F)c1ccc(COc2ccccc2)o1 c1ccc(cc1)[*:1] O=C(NNC(=O)c1c(O)cc(F)cc1F)c1ccc(CO[*:1])o1
O=C(NNC(=O)c1c(O)cc(F)cc1F)c1ccc(COc2ccccc2)o1 Oc1cc(F)cc(F)c1[*:1] O=C(NNC(=O)[*:1])c1ccc(COc2ccccc2)o1
O=C(NNC(=O)c1c(O)cc(F)cc1F)c1ccc(COc2ccccc2)o1 c1ccc(cc1)O[*:1] O=C(NNC(=O)c1c(O)cc(F)cc1F)c1ccc(C[*:1])o1
O=C(NNC(=O)c1c(O)cc(F)cc1F)c1ccc(COc2ccccc2)o1 c1ccc(cc1)OC[*:1] O=C(NNC(=O)c1c(O)cc(F)cc1F)c1ccc(o1)[*:1]
Cc1csc(NC(=O)CCNC(=O)OCc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)NC(=O)CCNC(=O)O[*:1]
Cc1csc(NC(=O)CCNC(=O)OCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)CCNC(=O)OC[*:1]
Cc1csc(NC(=O)CCNC(=O)OCc2ccccc2)n1 Cc1csc(n1)[*:1] O=C(CCNC(=O)OCc1ccccc1)N[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c(C)c1 Cc1ccc(c(C)c1)[*:1] Nn1c(nnc1-c1ccccc1)SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)CSc2nnc(n2N)[*:1])c(C)c1
CC/N=C1\S/C(=C/c2ccc(C)o2)C(=O)N1CC Cc1ccc(o1)[*:1] CC/N=C1\SC(=C[*:1])C(=O)N1CC
O=C(N[C@@H]1CCCNC1=O)[C@H]1COc2ccc(F)cc2C1 O=C1NCCC[C@H]1[*:1] O=C(N[*:1])[C@H]1COc2ccc(F)cc2C1
Cc1cccc(NC(=O)CNC(=O)CNC(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CNC(=O)CNC(=O)C[*:1]
Cc1cccc(NC(=O)CNC(=O)CNC(=O)Cc2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(CNC(=O)Cc1ccccc1)NCC(=O)N[*:1]
Cc1cccc(NC(=O)CNC(=O)CNC(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)CNC(=O)CNC(=O)[*:1]
Cc1cc(C(=O)NC[C@@H](C)Oc2ccccc2Br)on1 Cc1cc(on1)[*:1] C[C@H](CNC(=O)[*:1])Oc1ccccc1Br
COCCN(Cc1ccco1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 c1coc(c1)[*:1] COCCN(C[*:1])C(=O)c1cc2cc(ccc2s1)[N+](=O)[O-]
COCCN(Cc1ccco1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 O=[N+]([O-])[*:1] COCCN(Cc1ccco1)C(=O)c1cc2cc(ccc2s1)[*:1]
COCCN(Cc1ccco1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 COC[*:1] O=C(c1cc2cc(ccc2s1)[N+](=O)[O-])N(Cc1ccco1)C[*:1]
COCCN(Cc1ccco1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 c1coc(c1)C[*:1] COCCN(C(=O)c1cc2cc(ccc2s1)[N+](=O)[O-])[*:1]
COCCN(Cc1ccco1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 COCC[*:1] O=C(c1cc2cc(ccc2s1)[N+](=O)[O-])N(Cc1ccco1)[*:1]
CCC[NH2+][C@@H]1[C@@H](N2CCC[C@H]([NH+](C)C)C2)CCCC1(C)C CCC[*:1] C[NH+](C)[C@H]1CCCN(C1)[C@H]1CCCC(C)(C)[C@@H]1[NH2+][*:1]
CN1C(=O)CC[C@H](C(=O)Nc2cnn(CCc3ccccc3)c2)[C@H]1c1ccc(F)cc1 c1ccc(cc1)CC[*:1] CN1C(=O)CC[C@H](C(=O)Nc2cnn(c2)[*:1])[C@H]1c1ccc(F)cc1
CN1C(=O)CC[C@H](C(=O)Nc2cnn(CCc3ccccc3)c2)[C@H]1c1ccc(F)cc1 c1ccc(cc1)[*:1] CN1C(=O)CC[C@H](C(=O)Nc2cnn(c2)CC[*:1])[C@H]1c1ccc(F)cc1
CN1C(=O)CC[C@H](C(=O)Nc2cnn(CCc3ccccc3)c2)[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1C(=O)CC[C@H](C(=O)Nc2cnn(c2)CCc2ccccc2)[C@@H]1[*:1]
CN1C(=O)CC[C@H](C(=O)Nc2cnn(CCc3ccccc3)c2)[C@H]1c1ccc(F)cc1 c1ccc(cc1)C[*:1] CN1C(=O)CC[C@H](C(=O)Nc2cnn(c2)C[*:1])[C@H]1c1ccc(F)cc1
O=C([O-])c1cc(Br)ccc1OCc1ccc(O)cc1 O=C([O-])[*:1] Oc1ccc(cc1)COc1ccc(Br)cc1[*:1]
COc1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc2O1 COc1ccccc1C[*:1] Cc1ccc(cc1)S(=O)(=O)N1C[C@H](Oc2ccc(C)cc21)C(=O)N[*:1]
COc1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc2O1 COc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1C[C@H](Oc2ccc(C)cc21)C(=O)NC[*:1]
COc1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc2O1 Cc1ccc(cc1)[*:1] COc1ccccc1CNC(=O)[C@@H]1CN(c2cc(C)ccc2O1)S(=O)(=O)[*:1]
Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 Cc1cccc(c1)O[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])c1ccc(cc1)-n1cncn1
Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)[C@@H](C)O[*:1])c1ccc(cc1)-n1cncn1
Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 c1ncn(n1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CSCC[C@H](C)N(C)C(=O)Nc1ccc2c(c1)C(=O)CCC2 CSCC[*:1] C[C@H](N(C)C(=O)Nc1ccc2CCCC(=O)c2c1)[*:1]
CSCC[C@H](C)N(C)C(=O)Nc1ccc2c(c1)C(=O)CCC2 CSC[*:1] C[C@@H](C[*:1])N(C)C(=O)Nc1ccc2CCCC(=O)c2c1
CCOc1ccc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 CCOc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)c1cccc(c1)NC(=O)[*:1]
CCOc1ccc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 CCO[*:1] O=C(NC[C@@H]1CCCO1)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CC(=O)c1nnc2ncnn2c1C CC(=O)[*:1] Cc1c(nnc2ncnn12)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CCC1CCCCC1 C1CCC(CC1)C[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N(C)C[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CCC1CCCCC1 C1CCC(CC1)CC[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N(C)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CCC1CCCCC1 C1CCC(CC1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N(C)CC[*:1]
Cc1ccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3ccccc3F)c2=O)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-n1nc(C(=O)NC[C@@H]2CCCO2)c(=O)n(C[*:1])c1=O
Cc1ccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3ccccc3F)c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)c1nn(c(=O)n(Cc2ccccc2F)c1=O)[*:1]
Cc1ccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3ccccc3F)c2=O)cc1 Fc1ccccc1C[*:1] Cc1ccc(cc1)-n1nc(C(=O)NC[C@@H]2CCCO2)c(=O)n(c1=O)[*:1]
O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cn1nc2ccc(nn2c1=O)SC1CCCCC1)NCC[*:1]
O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)NCCc1ccc(Cl)cc1 C1CCC(CC1)S[*:1] O=C(Cn1nc2ccc(nn2c1=O)[*:1])NCCc1ccc(Cl)cc1
O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(Cn1nc2ccc(nn2c1=O)SC1CCCCC1)NC[*:1]
O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)NCCc1ccc(Cl)cc1 C1CCC(CC1)[*:1] O=C(Cn1nc2ccc(nn2c1=O)S[*:1])NCCc1ccc(Cl)cc1
O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)CC[*:1] O=C(Cn1nc2ccc(nn2c1=O)SC1CCCCC1)N[*:1]
Cc1cnc(C(C)(C)NS(=O)(=O)c2ccc(C#N)cc2)s1 Cc1cnc(s1)[*:1] CC(C)(NS(=O)(=O)c1ccc(C#N)cc1)[*:1]
C[NH+](C)[C@@H](CNC(=O)C1CC1)c1ccc2c(c1)OCO2 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)[*:1])c1ccc2OCOc2c1
C[NH+](C)[C@@H](CNC(=O)C1CC1)c1ccc2c(c1)OCO2 O=C(N[*:1])C1CC1 C[NH+](C)[C@@H](C[*:1])c1ccc2OCOc2c1
Cn1cc(NC(=O)Nc2cc(Br)ccc2Cl)cn1 Cn1cc(cn1)[*:1] O=C(Nc1cc(Br)ccc1Cl)N[*:1]
COCCOc1ccc(CNC(=O)c2cccc3[nH]ccc23)cn1 COCCO[*:1] O=C(NCc1ccc(nc1)[*:1])c1cccc2[nH]ccc12
COCCOc1ccc(CNC(=O)c2cccc3[nH]ccc23)cn1 COC[*:1] O=C(NCc1ccc(nc1)OC[*:1])c1cccc2[nH]ccc12
COCCOc1ccc(CNC(=O)c2cccc3[nH]ccc23)cn1 COCC[*:1] O=C(NCc1ccc(nc1)O[*:1])c1cccc2[nH]ccc12
CC(C)N(Cc1cccs1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC(C)N(Cc1cccs1)C(=O)NC[*:1]
CC(C)N(Cc1cccs1)C(=O)NCc1ccccc1 c1csc(c1)[*:1] CC(C)N(C[*:1])C(=O)NCc1ccccc1
CC(C)N(Cc1cccs1)C(=O)NCc1ccccc1 c1csc(c1)C[*:1] CC(C)N(C(=O)NCc1ccccc1)[*:1]
CC(C)N(Cc1cccs1)C(=O)NCc1ccccc1 CC(C)[*:1] O=C(NCc1ccccc1)N(Cc1cccs1)[*:1]
O=C(CCOC1CCOCC1)N[C@@H]1CCOc2ccccc21 C1CC(CCO1)O[*:1] O=C(CC[*:1])N[C@@H]1CCOc2ccccc21
O=C(CCOC1CCOCC1)N[C@@H]1CCOc2ccccc21 C1CC(CCO1)[*:1] O=C(CCO[*:1])N[C@@H]1CCOc2ccccc21
COc1cc([C@@H]2OC(c3ccccc3I)=NN2C(C)=O)cc(OC)c1OC Ic1ccccc1[*:1] COc1cc(cc(OC)c1OC)[C@@H]1OC(=NN1C(C)=O)[*:1]
CC1=NC(=O)[C@@H](CC(=O)NCc2ccc(C)cc2)C(C)=N1 Cc1ccc(cc1)[*:1] CC1=NC(=O)[C@@H](CC(=O)NC[*:1])C(C)=N1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1)[C@@H]1Cc2ccccc2CN1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@H](C[*:1])C(=O)NCc1ccco1)[C@@H]1Cc2ccccc2CN1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1)[C@@H]1Cc2ccccc2CN1 O=C(NCc1ccco1)[*:1] O=C(N[C@H](Cc1c[nH]c2ccccc12)[*:1])[C@@H]1Cc2ccccc2CN1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1)[C@@H]1Cc2ccccc2CN1 c1coc(c1)C[*:1] O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1])[C@@H]1Cc2ccccc2CN1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1)[C@@H]1Cc2ccccc2CN1 c1coc(c1)[*:1] O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[*:1])[C@@H]1Cc2ccccc2CN1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1)[C@@H]1Cc2ccccc2CN1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(N[C@H](C(=O)NCc1ccco1)[*:1])[C@@H]1Cc2ccccc2CN1
COCCc1nnc(S[C@@H](C)C(=O)Nc2cccc(C)c2)n1N COC[*:1] Cc1cccc(c1)NC(=O)[C@H](C)Sc1nnc(C[*:1])n1N
COCCc1nnc(S[C@@H](C)C(=O)Nc2cccc(C)c2)n1N Cc1cccc(c1)[*:1] COCCc1nnc(S[C@@H](C)C(=O)N[*:1])n1N
COCCc1nnc(S[C@@H](C)C(=O)Nc2cccc(C)c2)n1N COCC[*:1] Cc1cccc(c1)NC(=O)[C@H](C)Sc1nnc(n1N)[*:1]
C[C@@H]1C(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1ccc(F)cc1 CS(=O)(=O)[*:1] C[C@@H]1C(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C(=O)N1c1ccc(F)cc1
C[C@@H]1C(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1C(=O)N(CC(=O)Nc2ccc(cc2)S(C)(=O)=O)C(=O)N1[*:1]
CCOc1cc(/C=C/C(=O)N[C@@H](C)c2c(C)noc2C)ccc1OC Cc1noc(C)c1[*:1] CCOc1cc(/C=C/C(=O)N[C@@H](C)[*:1])ccc1OC
CCOc1cc(/C=C/C(=O)N[C@@H](C)c2c(C)noc2C)ccc1OC CCO[*:1] COc1ccc(/C=C/C(=O)N[C@@H](C)c2c(C)noc2C)cc1[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)N1CCCC1=O)[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccncc1 O=C1CCCN1[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccncc1
CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H]1c1c(C)n[nH]c1C CCC[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@H](C[*:1])NC(N)=O
CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H]1c1c(C)n[nH]c1C CCCC[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@@H](NC(N)=O)[*:1]
CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H]1c1c(C)n[nH]c1C NC(=O)N[*:1] CCCC[C@H](C(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)[*:1]
CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H]1c1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1[*:1]
O=C([C@H]1CCOC1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 C1C[C@@H](CO1)[*:1] O=C(N1CC[C@H](C1)Oc1cccc(Cl)c1)[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(NS(C)(=O)=O)CC1 CS(=O)(=O)N[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CC1)[*:1]
C[C@@H](COc1cccc(F)c1)[NH2+]C[C@@H]1CNc2c(C(N)=O)cnn2C1 Fc1cccc(c1)O[*:1] C[C@@H](C[*:1])[NH2+]C[C@@H]1CNc2c(cnn2C1)C(N)=O
C[C@@H](COc1cccc(F)c1)[NH2+]C[C@@H]1CNc2c(C(N)=O)cnn2C1 NC(=O)[*:1] C[C@@H](COc1cccc(F)c1)[NH2+]C[C@@H]1CNc2c(cnn2C1)[*:1]
C[C@@H](COc1cccc(F)c1)[NH2+]C[C@@H]1CNc2c(C(N)=O)cnn2C1 Fc1cccc(c1)[*:1] C[C@@H](CO[*:1])[NH2+]C[C@@H]1CNc2c(cnn2C1)C(N)=O
CCOC(=O)N1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)NS(=O)(=O)[*:1]
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCC[C@H]2C)c1 CNS(=O)(=O)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)c1cc(ccc1Cl)[*:1]
CCCCC(=O)Nc1ccc(Cl)nn1 CCC[*:1] O=C(C[*:1])Nc1ccc(Cl)nn1
CCCCC(=O)Nc1ccc(Cl)nn1 CCCC[*:1] O=C(Nc1ccc(Cl)nn1)[*:1]
O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccc(-n2cnnn2)cc1 Fc1ccc(cc1)[*:1] O=C(NCCN1C(=O)SC(=C[*:1])C1=O)c1ccc(cc1)-n1cnnn1
O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccc(cc1)[*:1]
Cc1cccc(NC(=O)[C@H]2CCC(=O)N2Cc2cccs2)n1 c1csc(c1)[*:1] Cc1cccc(n1)NC(=O)[C@H]1CCC(=O)N1C[*:1]
Cc1cccc(NC(=O)[C@H]2CCC(=O)N2Cc2cccs2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])[C@H]1CCC(=O)N1Cc1cccs1
Cc1cccc(NC(=O)[C@H]2CCC(=O)N2Cc2cccs2)n1 c1csc(c1)C[*:1] Cc1cccc(n1)NC(=O)[C@H]1CCC(=O)N1[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2Cc1ccc(F)cc1 c1ccc(cc1)CN[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2Cc1ccc(F)cc1)[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2Cc1ccc(F)cc1 c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NC[*:1])n2Cc1ccc(F)cc1
Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2Cc1ccc(F)cc1 c1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N[*:1])n2Cc1ccc(F)cc1
Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2C[*:1]
Cc1cccc(-c2nc(C)nn2CC(=O)Nc2ccccc2C)c1 Cc1cccc(c1)[*:1] Cc1nc(n(CC(=O)Nc2ccccc2C)n1)[*:1]
Cc1cccc(-c2nc(C)nn2CC(=O)Nc2ccccc2C)c1 Cc1ccccc1[*:1] Cc1cccc(c1)-c1nc(C)nn1CC(=O)N[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCN(Cc2ccccc2)CC1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)C[NH+]1CCN(CC1)Cc1ccccc1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)C[NH+]1CCN(CC1)C[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1cc(ccc1NC(=O)C[NH+]1CCN(CC1)[*:1])[N+](=O)[O-]
CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cccc2c1OCO2 FC(F)(F)[*:1] CN(Cc1nc(cs1)[*:1])C(=O)c1cccc2OCOc21
COC(=O)[C@]1(F)CCN(C(=O)c2cc(C)n(C)n2)C1 COC(=O)[*:1] Cc1cc(nn1C)C(=O)N1CC[C@@](F)(C1)[*:1]
Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)s1 Cc1ccc(s1)[*:1] O=C(COC(=O)[*:1])c1ccc2OCCOc2c1
CS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc3cccnc23)c1 CS(=O)(=O)[*:1] O=C(Nc1cc(Cl)cc2cccnc12)c1cccc(c1)[*:1]
O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC[*:1]
O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC[C@H](O)c1ccccc1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(F)cc1[*:1])NCC[C@H](O)c1ccccc1
O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCC[C@H](O)[*:1]
CC(C)c1cc([C@H]2CCCN2C(=O)Cc2ccccc2F)on1 CC(C)[*:1] O=C(Cc1ccccc1F)N1CCC[C@@H]1c1cc(no1)[*:1]
CC(C)c1cc([C@H]2CCCN2C(=O)Cc2ccccc2F)on1 Fc1ccccc1[*:1] CC(C)c1cc(on1)[C@H]1CCCN1C(=O)C[*:1]
COc1ccc(Nc2ccc(C#N)cn2)cc1OC1CCCC1 C1CCC(C1)O[*:1] COc1ccc(cc1[*:1])Nc1ccc(C#N)cn1
COc1ccc(Nc2ccc(C#N)cn2)cc1OC1CCCC1 C1CCC(C1)[*:1] COc1ccc(cc1O[*:1])Nc1ccc(C#N)cn1
[NH3+]CCOCc1nc(Cc2ccc(F)cc2F)no1 [NH3+]CCOC[*:1] Fc1ccc(Cc2noc(n2)[*:1])c(F)c1
CCn1cc[nH+]c1CCC[C@@H](O)C1CC1 C1CC1[*:1] CCn1cc[nH+]c1CCC[C@@H](O)[*:1]
CCn1cc[nH+]c1CCC[C@@H](O)C1CC1 O[C@@H](C1CC1)[*:1] CCn1cc[nH+]c1CCC[*:1]
Cc1cccc(CNC(=O)NC[C@@H](C)C[C@@H](C)O)c1 C[C@@H](O)[*:1] Cc1cccc(c1)CNC(=O)NC[C@@H](C)C[*:1]
Cc1cccc(CNC(=O)NC[C@@H](C)C[C@@H](C)O)c1 C[C@@H](O)C[*:1] Cc1cccc(c1)CNC(=O)NC[C@@H](C)[*:1]
CCc1nc([C@H]2CCCN(c3ncnc4ccsc34)C2)no1 CCc1nc(no1)[*:1] c1nc(c2sccc2n1)N1CCC[C@@H](C1)[*:1]
CC[C@@](C)(NC(=O)NCCc1cscn1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)NCCc1cscn1)[*:1]
CC[C@@](C)(NC(=O)NCCc1cscn1)C(=O)[O-] c1nc(cs1)[*:1] CC[C@@](C)(NC(=O)NCC[*:1])C(=O)[O-]
CC[C@@](C)(NC(=O)NCCc1cscn1)C(=O)[O-] c1nc(cs1)C[*:1] CC[C@@](C)(NC(=O)NC[*:1])C(=O)[O-]
Cc1cccc2c(=O)n(CCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)cnc12 c1ccc(cc1)[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)N1CCN(CC1)C(=O)N[*:1]
CC(C)CN(C)c1ccccc1[C@@H](C)[NH3+] CC(C)[*:1] C[C@@H]([NH3+])c1ccccc1N(C)C[*:1]
CC(C)CN(C)c1ccccc1[C@@H](C)[NH3+] CC(C)C[*:1] C[C@@H]([NH3+])c1ccccc1N(C)[*:1]
CCC1(CC)CC[NH+]([C@@H]2CC[C@@](N)(C(=O)[O-])C2)CC1 O=C([O-])[*:1] CCC1(CC)CC[NH+](CC1)[C@@H]1CC[C@@](N)(C1)[*:1]
Cc1nn(CC(C)C)c2sc(C(=O)N[C@H](C)c3ccccc3)cc12 c1ccc(cc1)[*:1] Cc1nn(CC(C)C)c2sc(cc12)C(=O)N[C@H](C)[*:1]
Cc1nn(CC(C)C)c2sc(C(=O)N[C@H](C)c3ccccc3)cc12 CC(C)[*:1] Cc1nn(C[*:1])c2sc(cc12)C(=O)N[C@H](C)c1ccccc1
Cc1nn(CC(C)C)c2sc(C(=O)N[C@H](C)c3ccccc3)cc12 CC(C)C[*:1] Cc1nn(c2sc(cc12)C(=O)N[C@H](C)c1ccccc1)[*:1]
Cc1nn(CC(C)C)c2sc(C(=O)N[C@H](C)c3ccccc3)cc12 C[C@H](c1ccccc1)[*:1] Cc1nn(CC(C)C)c2sc(cc12)C(=O)N[*:1]
C[C@H](CNC(=O)/C=C/C1CC1)Oc1ccc(Cl)cc1 C(=C[*:1])C1CC1 C[C@H](CNC(=O)[*:1])Oc1ccc(Cl)cc1
C[C@H](CNC(=O)/C=C/C1CC1)Oc1ccc(Cl)cc1 C1CC1[*:1] C[C@H](CNC(=O)C=C[*:1])Oc1ccc(Cl)cc1
C[C@@H](C(=O)N1CCOC[C@H]1C1CC1)n1ccnc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCOC[C@H]1C1CC1)n1ccnc1[*:1]
C[C@@H](C(=O)N1CCOC[C@H]1C1CC1)n1ccnc1-c1ccccc1 C1CC1[*:1] C[C@@H](C(=O)N1CCOC[C@@H]1[*:1])n1ccnc1-c1ccccc1
COc1cccc(-c2cnc(CN3C(=O)C[C@](C)(CC(C)C)C3=O)o2)c1 COc1cccc(c1)[*:1] CC(C)C[C@@]1(C)CC(=O)N(Cc2ncc(o2)[*:1])C1=O
COc1cccc(-c2cnc(CN3C(=O)C[C@](C)(CC(C)C)C3=O)o2)c1 CC(C)[*:1] COc1cccc(c1)-c1cnc(CN2C(=O)C[C@](C)(C[*:1])C2=O)o1
COc1cccc(-c2cnc(CN3C(=O)C[C@](C)(CC(C)C)C3=O)o2)c1 CC(C)C[*:1] COc1cccc(c1)-c1cnc(CN2C(=O)C[C@](C)(C2=O)[*:1])o1
C[C@@H]1Cc2ccccc2N1CC(=O)NCCc1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@@H]1Cc2ccccc2N1CC(=O)NCCc1ccc(cc1)O[*:1]
C[C@@H]1Cc2ccccc2N1CC(=O)NCCc1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@@H]1Cc2ccccc2N1CC(=O)NCCc1ccc(cc1)[*:1]
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O c1cnc(nc1)[*:1] C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(CC2)[*:1])C1=O
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O c1ccc(cc1)[*:1] C[C@@]1(CC[*:1])NC(=O)N(CC(=O)N2CCN(CC2)c2ncccn2)C1=O
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O c1ccc(cc1)C[*:1] C[C@@]1(C[*:1])NC(=O)N(CC(=O)N2CCN(CC2)c2ncccn2)C1=O
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O c1ccc(cc1)CC[*:1] C[C@]1(NC(=O)N(CC(=O)N2CCN(CC2)c2ncccn2)C1=O)[*:1]
O=C(Nc1ccccc1)c1cccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)c1 Clc1cccc(c1)[*:1] O=C(Nc1ccccc1)c1cccc(c1)N1C[C@H](CC1=O)C(=O)N[*:1]
O=C(Nc1ccccc1)c1cccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)c1 O=C(Nc1ccccc1)[*:1] O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
O=C(Nc1ccccc1)c1cccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)c1 O=C(Nc1cccc(Cl)c1)[*:1] O=C(Nc1ccccc1)c1cccc(c1)N1C[C@@H](CC1=O)[*:1]
O=C(Nc1ccccc1)c1cccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)c1 c1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)N1C[C@H](CC1=O)C(=O)Nc1cccc(Cl)c1
O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1nn(c(=O)c2ccccc12)[*:1]
CN(Cc1ccncc1)[C@@]1(C[NH3+])CCCCC1(C)C c1cc(ccn1)[*:1] CN(C[*:1])[C@@]1(C[NH3+])CCCCC1(C)C
CC(C)COC(=O)N1CCC(N[C@@H]2CC[C@@H]([NH+](C)C)C2)CC1 CC(C)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC1CCN(CC1)C(=O)OC[*:1]
CC(C)COC(=O)N1CCC(N[C@@H]2CC[C@@H]([NH+](C)C)C2)CC1 CC(C)C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC1CCN(CC1)C(=O)O[*:1]
C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)[*:1]
N#CCc1cccc2sccc12 N#CC[*:1] c1cc(c2ccsc2c1)[*:1]
COc1ccc(-c2nc(CC(=O)Nc3nncs3)cs2)cc1OC O=C(Nc1nncs1)[*:1] COc1ccc(cc1OC)-c1nc(cs1)C[*:1]
COc1ccc(-c2nc(CC(=O)Nc3nncs3)cs2)cc1OC c1nnc(s1)[*:1] COc1ccc(cc1OC)-c1nc(cs1)CC(=O)N[*:1]
Cc1cccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)n2C)c1 Brc1ccc(cc1)[*:1] Cc1cccc(c1)OCc1nnc(SCC(=O)[*:1])n1C
Cc1cccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)n2C)c1 Cc1cccc(c1)O[*:1] Cn1c(C[*:1])nnc1SCC(=O)c1ccc(Br)cc1
Cc1cccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)n2C)c1 Cc1cccc(c1)[*:1] Cn1c(CO[*:1])nnc1SCC(=O)c1ccc(Br)cc1
CC(=O)NCC1CCN(c2cc(-c3ccc(F)cc3)nc3ccnn23)CC1 CC(=O)N[*:1] Fc1ccc(cc1)-c1cc(N2CCC(CC2)C[*:1])n2nccc2n1
CC(=O)NCC1CCN(c2cc(-c3ccc(F)cc3)nc3ccnn23)CC1 Fc1ccc(cc1)[*:1] CC(=O)NCC1CCN(CC1)c1cc(nc2ccnn12)[*:1]
CC(=O)NCC1CCN(c2cc(-c3ccc(F)cc3)nc3ccnn23)CC1 CC(=O)NC[*:1] Fc1ccc(cc1)-c1cc(N2CCC(CC2)[*:1])n2nccc2n1
COc1cccc(-c2nc(C(=O)NCc3ccncc3)nn2-c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1nc(nn1[*:1])C(=O)NCc1ccncc1
COc1cccc(-c2nc(C(=O)NCc3ccncc3)nn2-c2ccccc2)c1 c1cc(ccn1)C[*:1] COc1cccc(c1)-c1nc(nn1-c1ccccc1)C(=O)N[*:1]
COc1cccc(-c2nc(C(=O)NCc3ccncc3)nn2-c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(NCc1ccncc1)c1nc(n(n1)-c1ccccc1)[*:1]
COc1cccc(-c2nc(C(=O)NCc3ccncc3)nn2-c2ccccc2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)-c1nc(nn1-c1ccccc1)C(=O)NC[*:1]
Cc1cccc(C)c1NC(=S)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=S)N1CC[C@H](C1)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)CC[C@@H]2NC(=O)NC2=O)cc1 CCO[*:1] O=C1NC(=O)[C@H](CCC(=O)N2CCC[C@@H]2c2ccc(cc2)[*:1])N1
O=C(CCCc1nc(-c2ccccc2)no1)N[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CCCc1nc(no1)[*:1])N[C@H]1CCS(=O)(=O)C1
O=C(CSc1ccccn1)Nc1ccc(C(F)(F)F)cc1Cl c1ccc(nc1)[*:1] O=C(CS[*:1])Nc1ccc(cc1Cl)C(F)(F)F
O=C(CSc1ccccn1)Nc1ccc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] O=C(CSc1ccccn1)Nc1ccc(cc1Cl)[*:1]
O=C(CSc1ccccn1)Nc1ccc(C(F)(F)F)cc1Cl c1ccc(nc1)S[*:1] O=C(C[*:1])Nc1ccc(cc1Cl)C(F)(F)F
COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)C(=O)NC[C@@H]([NH+](C)C)[*:1]
COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2)[NH+](C)C)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)C(=O)N[*:1])[NH+](C)C
CCNc1cc(COC)[nH+]c([C@H]2C[NH+]3CCN2CC3)n1 CCN[*:1] COCc1cc(nc([nH+]1)[C@H]1C[NH+]2CCN1CC2)[*:1]
CCNc1cc(COC)[nH+]c([C@H]2C[NH+]3CCN2CC3)n1 COC[*:1] CCNc1cc([nH+]c(n1)[C@H]1C[NH+]2CCN1CC2)[*:1]
Cc1cnc(NC(=O)c2cnn(C(C)C)c2C)s1 Cc1cnc(s1)[*:1] Cc1c(cnn1C(C)C)C(=O)N[*:1]
Cc1cnc(NC(=O)c2cnn(C(C)C)c2C)s1 CC(C)[*:1] Cc1cnc(NC(=O)c2cnn(c2C)[*:1])s1
O=C(Nc1ccncc1)c1cccc(OCc2cscn2)c1 c1nc(cs1)[*:1] O=C(Nc1ccncc1)c1cccc(c1)OC[*:1]
O=C(Nc1ccncc1)c1cccc(OCc2cscn2)c1 c1nc(cs1)CO[*:1] O=C(Nc1ccncc1)c1cccc(c1)[*:1]
O=C(Nc1ccncc1)c1cccc(OCc2cscn2)c1 c1nc(cs1)C[*:1] O=C(Nc1ccncc1)c1cccc(c1)O[*:1]
O=C(Nc1ccncc1)c1cccc(OCc2cscn2)c1 c1cc(ccn1)[*:1] O=C(N[*:1])c1cccc(c1)OCc1cscn1
Cn1ncc(-c2nc(C3CC3)no2)c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 C1CC1c1noc(n1)[*:1] Cn1ncc(c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1)[*:1]
Cn1ncc(-c2nc(C3CC3)no2)c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 C1CC1[*:1] Cn1ncc(-c2nc(no2)[*:1])c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1
Cn1ncc(-c2nc(C3CC3)no2)c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] Cn1ncc(-c2nc(no2)C2CC2)c1[N-]S(=O)(=O)[*:1]
CC(=O)N1CCC[NH+](Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1 C1CCC(CC1)[*:1] CC(=O)N1CCC[NH+](CC1)Cc1cn(C)nc1-c1ccc(cc1)[*:1]
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1cccc2ncccc12 CC(C)(C)[*:1] C[C@H]1CN(C(=O)O[*:1])[C@H](C)CN1C(=O)c1cccc2ncccc12
Cc1cc(F)ccc1O[C@H](CCN1CCOCC1)c1ccc(F)cc1 C1CN(CCO1)C[*:1] Cc1cc(F)ccc1O[C@H](C[*:1])c1ccc(F)cc1
Cc1cc(F)ccc1O[C@H](CCN1CCOCC1)c1ccc(F)cc1 C1CN(CCO1)[*:1] Cc1cc(F)ccc1O[C@H](CC[*:1])c1ccc(F)cc1
Cc1cc(F)ccc1O[C@H](CCN1CCOCC1)c1ccc(F)cc1 Cc1cc(F)ccc1[*:1] Fc1ccc(cc1)[C@@H](CCN1CCOCC1)O[*:1]
Cc1cc(F)ccc1O[C@H](CCN1CCOCC1)c1ccc(F)cc1 C1CN(CCO1)CC[*:1] Cc1cc(F)ccc1O[C@H](c1ccc(F)cc1)[*:1]
Cc1cc(F)ccc1O[C@H](CCN1CCOCC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(F)ccc1O[C@H](CCN1CCOCC1)[*:1]
O=C(C[C@@H](c1ccccc1)c1ccco1)NCc1cc(=O)[nH]cn1 O=c1cc(C[*:1])nc[nH]1 O=C(C[C@@H](c1ccccc1)c1ccco1)N[*:1]
O=C(C[C@@H](c1ccccc1)c1ccco1)NCc1cc(=O)[nH]cn1 c1coc(c1)[*:1] O=C(C[C@@H](c1ccccc1)[*:1])NCc1cc(=O)[nH]cn1
O=C(C[C@@H](c1ccccc1)c1ccco1)NCc1cc(=O)[nH]cn1 c1ccc(cc1)[*:1] O=C(C[C@@H](c1ccco1)[*:1])NCc1cc(=O)[nH]cn1
O=C(C[C@@H](c1ccccc1)c1ccco1)NCc1cc(=O)[nH]cn1 O=c1cc(nc[nH]1)[*:1] O=C(C[C@@H](c1ccccc1)c1ccco1)NC[*:1]
CCC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 CCC(=O)N[*:1] C[C@H](C(=O)Nc1cccc(c1)[*:1])[NH+]1CCCCCC1
CC[NH2+][C@H](Cc1ccsc1)[C@H]1CSCCO1 c1cc(cs1)[*:1] CC[NH2+][C@H](C[*:1])[C@H]1CSCCO1
CCC(=O)N1CCC([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 Cc1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)[NH2+]C[C@H]([NH+](C)C)[*:1]
C[C@H](NCc1ccc(C(N)=O)o1)c1nc2ccccc2s1 NC(=O)[*:1] C[C@H](NCc1ccc(o1)[*:1])c1nc2ccccc2s1
CC(=O)N1CCC([NH2+][C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)[NH2+][C@H]([C@@H]1CCCc2ccccc21)[*:1]
NC(=O)[C@H]1CC(=O)N(Cc2ccc(F)cc2)/C(=N/c2ccc(Cl)cc2)S1 Fc1ccc(cc1)[*:1] NC(=O)[C@H]1CC(=O)N(C[*:1])/C(=N/c2ccc(Cl)cc2)S1
NC(=O)[C@H]1CC(=O)N(Cc2ccc(F)cc2)/C(=N/c2ccc(Cl)cc2)S1 Fc1ccc(cc1)C[*:1] NC(=O)[C@H]1CC(=O)N(/C(=N/c2ccc(Cl)cc2)S1)[*:1]
NC(=O)[C@H]1CC(=O)N(Cc2ccc(F)cc2)/C(=N/c2ccc(Cl)cc2)S1 NC(=O)[*:1] O=C1C[C@@H](S/C(=N\c2ccc(Cl)cc2)N1Cc1ccc(F)cc1)[*:1]
NC(=O)[C@H]1CC(=O)N(Cc2ccc(F)cc2)/C(=N/c2ccc(Cl)cc2)S1 Clc1ccc(cc1)[*:1] NC(=O)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C(=N[*:1])S1
COC(=O)[C@@H]1C2=C(C[C@@H](C)CC2)S[C@H]1NC(=O)CSc1nc2c(c(=O)[nH]1)CCC2 COC(=O)[*:1] C[C@H]1CCC2=C(C1)S[C@@H](NC(=O)CSc1nc3CCCc3c(=O)[nH]1)[C@@H]2[*:1]
CC(C)[NH+]1CCCN(C(=O)Cn2nc3ccccn3c2=O)CC1 CC(C)[*:1] O=C(Cn1nc2ccccn2c1=O)N1CCC[NH+](CC1)[*:1]
Cc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](C)CC3=O)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CC(=O)c2cc(C(=O)N[*:1])c(=O)[nH]c2C1
C[NH+]1CCc2nc3sc(C#N)c(N)c3c(-c3ccccc3)c2C1 c1ccc(cc1)[*:1] C[NH+]1CCc2nc3sc(C#N)c(N)c3c(c2C1)[*:1]
NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CCCO1 NC(=O)[*:1] O=C([C@@H]1CCCO1)N1CCOC[C@H]1[*:1]
NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] NC(=O)[C@@H]1COCCN1C(=O)[*:1]
COC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)oc1C CC(C)[*:1] COC(=O)c1cc(oc1C)S(=O)(=O)N1CC[NH+](CC1)C[*:1]
COC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])S(=O)(=O)N1CC[NH+](CC1)CC(C)C
COC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)oc1C CC(C)C[*:1] COC(=O)c1cc(oc1C)S(=O)(=O)N1CC[NH+](CC1)[*:1]
Cn1cnnc1SCC(=O)NC[C@H]1COc2ccccc2O1 Cn1cnnc1S[*:1] O=C(C[*:1])NC[C@H]1COc2ccccc2O1
Cn1cnnc1SCC(=O)NC[C@H]1COc2ccccc2O1 Cn1cnnc1[*:1] O=C(CS[*:1])NC[C@H]1COc2ccccc2O1
CO[C@@H](C)C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 CO[C@@H](C)[*:1] O=C(N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
CO[C@@H](C)C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] CO[C@@H](C)C(=O)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
CC[C@@H](C)NC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC O=[N+]([O-])[*:1] CC[C@@H](C)NC(=O)c1c(ccc(c1OC)[*:1])OC
CC[C@@H](C)NC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC CC[C@@H](C)[*:1] COc1ccc(c(OC)c1C(=O)N[*:1])[N+](=O)[O-]
[NH3+][C@H](CCC[C@@H]1CCCO1)c1ncc[nH]1 c1c[nH]c(n1)[*:1] [NH3+][C@H](CCC[C@@H]1CCCO1)[*:1]
[NH3+][C@H](CCC[C@@H]1CCCO1)c1ncc[nH]1 C1CO[C@@H](C1)[*:1] [NH3+][C@H](CCC[*:1])c1ncc[nH]1
Cc1nc(-c2ccsc2)sc1C(=O)NCC1(C(N)=O)CCOCC1 c1cc(cs1)[*:1] Cc1nc(sc1C(=O)NCC1(CCOCC1)C(N)=O)[*:1]
Cc1nc(-c2ccsc2)sc1C(=O)NCC1(C(N)=O)CCOCC1 NC(=O)[*:1] Cc1nc(sc1C(=O)NCC1(CCOCC1)[*:1])-c1ccsc1
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)NC3CCOCC3)CC2)cc1 C1CC(CCO1)[*:1] CC(C)Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)N[*:1]
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)NC3CCOCC3)CC2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)C[*:1])C1CCN(CC1)C(=O)NC1CCOCC1
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)NC3CCOCC3)CC2)cc1 CC(C)C[*:1] O=C(c1ccc(cc1)[*:1])C1CCN(CC1)C(=O)NC1CCOCC1
O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)c1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 c1cc2OCCOc2cc1[*:1] O=C(N[*:1])c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 c1cc2CCCc2cc1[*:1] C[C@H](O[*:1])C(=O)N1CCC[C@@H](C1)C(=O)Nc1ccccc1
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 O=C(Nc1ccccc1)[*:1] C[C@H](Oc1ccc2CCCc2c1)C(=O)N1CCC[C@H](C1)[*:1]
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc2CCCc2c1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COCCN(CCO)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 OCC[*:1] COCCN(C(=O)Nc1cccc(c1)-c1ccc2OCCc2c1)[*:1]
COCCN(CCO)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 COC[*:1] O=C(Nc1cccc(c1)-c1ccc2OCCc2c1)N(CCO)C[*:1]
COCCN(CCO)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 COCC[*:1] O=C(Nc1cccc(c1)-c1ccc2OCCc2c1)N(CCO)[*:1]
Cc1ccc(CN2CC[C@H](c3nnc(C(C)(C)C)o3)C2)o1 Cc1ccc(o1)[*:1] CC(C)(C)c1nnc(o1)[C@H]1CCN(C1)C[*:1]
Cc1ccc(CN2CC[C@H](c3nnc(C(C)(C)C)o3)C2)o1 CC(C)(C)[*:1] Cc1ccc(CN2CC[C@@H](C2)c2nnc(o2)[*:1])o1
Cc1ccc(CN2CC[C@H](c3nnc(C(C)(C)C)o3)C2)o1 Cc1ccc(C[*:1])o1 CC(C)(C)c1nnc(o1)[C@H]1CCN(C1)[*:1]
C[C@@H](NC(=O)Oc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Oc1ccc(F)cc1)[*:1]
Cc1nc(C)c(CC(=O)Nc2cccc(-c3sccc3C)c2)c(=O)[nH]1 Cc1ccsc1[*:1] Cc1nc(C)c(CC(=O)Nc2cccc(c2)[*:1])c(=O)[nH]1
Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)cc(=O)c2c1 C1CN(CCO1)[*:1] Cc1ccc2oc(cc(=O)c2c1)C(=O)NC[C@@H](c1ccc(cc1)C(C)(C)C)[*:1]
Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)cc(=O)c2c1 CC(C)(C)[*:1] Cc1ccc2oc(cc(=O)c2c1)C(=O)NC[C@@H](c1ccc(cc1)[*:1])N1CCOCC1
Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)cc(=O)c2c1 CC(C)(C)c1ccc(cc1)[*:1] Cc1ccc2oc(cc(=O)c2c1)C(=O)NC[C@@H](N1CCOCC1)[*:1]
C[C@H](CCCO)NC(=O)N(C)Cc1ccc(C#N)cc1 OCCC[*:1] C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[*:1]
C[C@H](CCCO)NC(=O)N(C)Cc1ccc(C#N)cc1 OCC[*:1] C[C@H](C[*:1])NC(=O)N(C)Cc1ccc(C#N)cc1
C[C@H](CCCO)NC(=O)N(C)Cc1ccc(C#N)cc1 C[C@H](CCCO)[*:1] CN(Cc1ccc(C#N)cc1)C(=O)N[*:1]
CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)Cn2cccn2)CC1 c1cnn(c1)C[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H](C)[NH2+][C@@H](C)[*:1]
CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)Cn2cccn2)CC1 c1cnn(c1)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H](C)[NH2+][C@@H](C)C[*:1]
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)C1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(C1CN(C(=O)C=1[O-])[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C1CN(C[*:1])C(=O)C=1[O-])c1ccccc1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(CN1Cc1ccccc1)C(=O)[*:1]
CC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(Cl)c1 CC(C)(C)[*:1] CC[C@H](NC(=O)[C@@H](C)NC(=O)O[*:1])c1cccc(Cl)c1
CC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)[*:1]
COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc(C)c2C)cc1OC Cc1cccc(c1C)[*:1] COc1ccc(/C=C/C(=O)NC(=S)N[*:1])cc1OC
C(=C/c1ccco1)\CN1CCC[C@H]1C[NH+]1CCCCC1 c1coc(c1)[*:1] C(=C[*:1])CN1CCC[C@H]1C[NH+]1CCCCC1
COc1cccc([C@@H](C)NC(=O)COC(=O)c2cncc(Br)c2)c1 Brc1cncc(c1)[*:1] COc1cccc(c1)[C@@H](C)NC(=O)COC(=O)[*:1]
COc1cccc([C@@H](C)NC(=O)COC(=O)c2cncc(Br)c2)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)COC(=O)c1cncc(Br)c1)[*:1]
COC(=O)c1cnc(Nc2ccc(F)cc2)c2ccccc12 Fc1ccc(cc1)[*:1] COC(=O)c1cnc(N[*:1])c2ccccc12
COC(=O)c1cnc(Nc2ccc(F)cc2)c2ccccc12 COC(=O)[*:1] Fc1ccc(cc1)Nc1ncc(c2ccccc12)[*:1]
CCN(C(=O)CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] CCN(C(=O)CCN1C(=O)SC(=C[*:1])C1=O)[C@@H]1CCS(=O)(=O)C1
CC(C)NC(=O)CCNC(=O)c1csnn1 CC(C)[*:1] O=C(CCNC(=O)c1csnn1)N[*:1]
CC(C)NC(=O)CCNC(=O)c1csnn1 c1snnc1[*:1] CC(C)NC(=O)CCNC(=O)[*:1]
Cc1cccc(N2N=C(C(=O)Nc3ccccc3F)CCC2=O)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1F)C1CCC(=O)N(N=1)[*:1]
Cc1cccc(N2N=C(C(=O)Nc3ccccc3F)CCC2=O)c1 Fc1ccccc1[*:1] Cc1cccc(c1)N1N=C(CCC1=O)C(=O)N[*:1]
CC(C)n1nccc1NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 CC(C)[*:1] O=C(Nc1ccnn1[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
CC(C)n1nccc1NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 CC(C)n1nccc1[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
CC(C)n1nccc1NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] CC(C)n1nccc1NC(=O)N1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)N1CCCCCC1)S(=O)(=O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCCCCC1)S(=O)(=O)[*:1]
O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-] O=C(c1ccccc1)[*:1] O=[N+]([O-])[C@H]([C@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-] c1ccc(cc1)[*:1] O=C([C@@H]([C@H](c1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-])[*:1]
O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-] c1ccc2c(c[nH]c2c1)[*:1] O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1)[*:1])[N+](=O)[O-]
O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1)c1c[nH]c2ccccc12)[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(c1ccccc1)[C@@H]([C@H](c1c[nH]c2ccccc12)[*:1])[N+](=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@H]1COc1nc2ccccc2nc1N CC(C)(C)[*:1] Nc1nc2ccccc2nc1OC[C@@H]1CCCN1C(=O)O[*:1]
COc1ccc([C@@H]2CCN(C(=O)c3cc(C)cc(OC)c3O)C2)cc1 COc1ccc(cc1)[*:1] COc1cc(C)cc(C(=O)N2CC[C@H](C2)[*:1])c1O
O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Cc1ccc(cc1)-c1ccccc1)NNC(=O)N[*:1]
O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[*:1])NNC(=O)Nc1ccc2OCOc2c1
CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(OC)cc2C)c1 CCO[*:1] COc1ccc(NC(=O)N[C@H](C)c2cccc(c2)[*:1])c(C)c1
CC(=O)Nc1cc(NC(=O)NC[C@@H](CCO)c2ccccc2)ccc1C c1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)NC[C@@H](CCO)[*:1]
CC(=O)Nc1cc(NC(=O)NC[C@@H](CCO)c2ccccc2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)NC[C@@H](CCO)c1ccccc1
CC(=O)Nc1cc(NC(=O)NC[C@@H](CCO)c2ccccc2)ccc1C OCC[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)NC[C@@H](c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)cc1 CN(C)[*:1] Cc1ccc(cc1)S(=O)(=O)NC[C@H](c1cccs1)[*:1]
Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)NC[C@H](N(C)C)[*:1]
Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N(C)C)cc1 Cc1ccc(cc1)[*:1] CN(C)[C@H](CNS(=O)(=O)[*:1])c1cccs1
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 C=CCO[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(c1)[*:1]
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 Brc1ccc(cc1)[*:1] C=CCOc1cccc(c1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1cc(C)on1
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 O=C(c1ccc(Br)cc1)[*:1] C=CCOc1cccc(c1)[C@H]1C(=C([O-])C(=O)N1c1cc(C)on1)[*:1]
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 Cc1cc(no1)[*:1] C=CCOc1cccc(c1)[C@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1[*:1]
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 C=CCOc1cccc(c1)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@@H]1[*:1]
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 C=CC[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(c1)O[*:1]
CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1c(C)nn(-c2ccccc2)c1Cl c1ccc(cc1)[*:1] CCC(=O)N1c2ccccc2-c2nnc(nc2O[C@H]1c1c(C)nn(c1Cl)[*:1])SC
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCNC(=O)/C=C/c1ccco1 C(=C[*:1])c1ccco1 C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCNC(=O)[*:1]
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCNC(=O)/C=C/c1ccco1 c1coc(c1)[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCNC(=O)C=C[*:1]
CC(C)OC(=O)CC[NH+]1CCOc2ccccc2C1 CC(C)OC(=O)[*:1] c1ccc2OCC[NH+](CC[*:1])Cc2c1
CC(C)OC(=O)CC[NH+]1CCOc2ccccc2C1 CC(C)[*:1] O=C(CC[NH+]1CCOc2ccccc2C1)O[*:1]
CCC[C@]1(C(F)(F)F)CCCN1C(=O)c1cc(S(C)(=O)=O)ccc1Cl CCC[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCC[C@]1(C(F)(F)F)[*:1]
CCC[C@]1(C(F)(F)F)CCCN1C(=O)c1cc(S(C)(=O)=O)ccc1Cl FC(F)(F)[*:1] CCC[C@@]1(CCCN1C(=O)c1cc(ccc1Cl)S(C)(=O)=O)[*:1]
CCC[C@]1(C(F)(F)F)CCCN1C(=O)c1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] CCC[C@@]1(CCCN1C(=O)c1cc(ccc1Cl)[*:1])C(F)(F)F
CN(C)S(=O)(=O)c1cccc(CSCc2cccc(C#N)c2)c1 CN(C)S(=O)(=O)[*:1] N#Cc1cccc(c1)CSCc1cccc(c1)[*:1]
Cc1cc(Br)c([C@@H](N)C(F)(F)C(F)F)s1 FC(F)[*:1] Cc1cc(Br)c(s1)[C@@H](N)C(F)(F)[*:1]
CC[C@@H](C)C(=O)NCC(=O)NCCc1ccccn1 CC[C@@H](C)[*:1] O=C(CNC(=O)[*:1])NCCc1ccccn1
CC[C@@H](C)C(=O)NCC(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] CC[C@@H](C)C(=O)NCC(=O)NCC[*:1]
COc1cccc(/C=C(/C(=O)N2CCC[C@H]3C[C@@H](C)CC[C@@H]32)n2nnnc2C)c1 Cc1nnnn1[*:1] COc1cccc(C=C(C(=O)N2CCC[C@H]3C[C@@H](C)CC[C@@H]32)[*:1])c1
COc1cccc(/C=C(/C(=O)N2CCC[C@H]3C[C@@H](C)CC[C@@H]32)n2nnnc2C)c1 COc1cccc(c1)[*:1] Cc1nnnn1C(=C[*:1])C(=O)N1CCC[C@H]2C[C@@H](C)CC[C@@H]21
CNC(=O)c1ccc(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc1Cl CC(C)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)N[C@H](C)c1cccc(c1)O[*:1]
CNC(=O)c1ccc(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc1Cl CNC(=O)[*:1] CC(C)Oc1cccc(c1)[C@@H](C)NC(=O)Nc1ccc(c(Cl)c1)[*:1]
CNC(=O)c1ccc(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc1Cl CC(C)O[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)N[C@H](C)c1cccc(c1)[*:1]
Cc1ccc2nc(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)[nH]c2c1 Fc1ccc(cc1)[*:1] Cc1ccc2nc([nH]c2c1)C1CCN(CC1)C(=O)N[*:1]
C#CCOc1ccc(/C=N/NC(=O)C2CCCCC2)cc1Br C1CCC(CC1)[*:1] C#CCOc1ccc(/C=N/NC(=O)[*:1])cc1Br
C#CCOc1ccc(/C=N/NC(=O)C2CCCCC2)cc1Br C#CC[*:1] O=C(N/N=C/c1ccc(O[*:1])c(Br)c1)C1CCCCC1
C#CCOc1ccc(/C=N/NC(=O)C2CCCCC2)cc1Br C#CCO[*:1] O=C(N/N=C/c1ccc(c(Br)c1)[*:1])C1CCCCC1
CC[NH+](CC)C[C@@H](O)COC(C)(C)C CC(C)(C)[*:1] CC[NH+](CC)C[C@@H](O)CO[*:1]
NC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 NC(=O)[*:1] Clc1ccccc1[C@H](N1CCc2sccc2C1)[*:1]
Cc1cc(-c2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)n(C)n1 Cc1cc(n(C)n1)[*:1] Clc1cccc(c1Cl)-c1nnc2sc(nn12)[*:1]
Cc1ccc(Oc2ccccc2)c(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 c1ccc(cc1)[*:1] Cc1ccc(O[*:1])c(c1)NC(=O)Cn1ccc(=O)[nH]c1=O
Cc1ccc(Oc2ccccc2)c(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 c1ccc(cc1)O[*:1] Cc1ccc(c(c1)NC(=O)Cn1ccc(=O)[nH]c1=O)[*:1]
Cc1ccc(Oc2ccccc2)c(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 O=c1ccn(c(=O)[nH]1)[*:1] Cc1ccc(Oc2ccccc2)c(c1)NC(=O)C[*:1]
CC(C)CN(C(=O)NC[C@H](C)N1CCOCC1)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)NC[C@H](C)N1CCOCC1)[*:1]
CC(C)CN(C(=O)NC[C@H](C)N1CCOCC1)C1CC1 CC(C)C[*:1] C[C@@H](CNC(=O)N(C1CC1)[*:1])N1CCOCC1
CC(C)CN(C(=O)NC[C@H](C)N1CCOCC1)C1CC1 CC(C)[*:1] C[C@@H](CNC(=O)N(C[*:1])C1CC1)N1CCOCC1
CC(C)CN(C(=O)NC[C@H](C)N1CCOCC1)C1CC1 C1CN(CCO1)[*:1] CC(C)CN(C(=O)NC[C@H](C)[*:1])C1CC1
CC(C)C[C@H](CNC(=O)Nc1cccc(Cl)c1)C(=O)[O-] CC(C)C[*:1] O=C(NC[C@H](C(=O)[O-])[*:1])Nc1cccc(Cl)c1
CC(C)C[C@H](CNC(=O)Nc1cccc(Cl)c1)C(=O)[O-] CC(C)[*:1] O=C(NC[C@@H](C[*:1])C(=O)[O-])Nc1cccc(Cl)c1
CC(C)C[C@H](CNC(=O)Nc1cccc(Cl)c1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)Nc1cccc(Cl)c1)[*:1]
O=C(CN(Cc1cccnc1)C[C@H]1CCCO1)N1CCCCC1 C1CO[C@H](C1)C[*:1] O=C(CN(Cc1cccnc1)[*:1])N1CCCCC1
O=C(CN(Cc1cccnc1)C[C@H]1CCCO1)N1CCCCC1 c1cncc(c1)[*:1] O=C(CN(C[C@H]1CCCO1)C[*:1])N1CCCCC1
O=C(CN(Cc1cccnc1)C[C@H]1CCCO1)N1CCCCC1 c1cncc(c1)C[*:1] O=C(CN(C[C@H]1CCCO1)[*:1])N1CCCCC1
Cn1ncc2c1N=C(O)CS[C@@H]2c1cccc(Oc2ncccn2)c1 c1cnc(nc1)O[*:1] Cn1ncc2c1N=C(O)CS[C@@H]2c1cccc(c1)[*:1]
Cn1ncc2c1N=C(O)CS[C@@H]2c1cccc(Oc2ncccn2)c1 c1cnc(nc1)[*:1] Cn1ncc2c1N=C(O)CS[C@@H]2c1cccc(c1)O[*:1]
Cc1cc(=O)c(C(=O)Nc2ccc(F)cc2OC(F)F)c[nH]1 FC(F)O[*:1] Cc1cc(=O)c(c[nH]1)C(=O)Nc1ccc(F)cc1[*:1]
Cc1cc(=O)c(C(=O)Nc2ccc(F)cc2OC(F)F)c[nH]1 FC(F)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)Nc1ccc(F)cc1O[*:1]
Cc1cc(-n2nc(CC(C)(C)C)cc2N)nc(C)n1 CC(C)(C)C[*:1] Cc1cc(nc(C)n1)-n1nc(cc1N)[*:1]
Cc1cc(-n2nc(CC(C)(C)C)cc2N)nc(C)n1 CC(C)(C)[*:1] Cc1cc(nc(C)n1)-n1nc(cc1N)C[*:1]
Cc1cnc2nc([C@H]([NH3+])C(C)(C)C)[nH]c2c1 CC(C)(C)[*:1] Cc1cnc2nc([nH]c2c1)[C@H]([NH3+])[*:1]
C[C@@H](OCC1CC1)C(=O)Oc1ccc2c(c1)OCO2 C1CC1C[*:1] C[C@@H](O[*:1])C(=O)Oc1ccc2OCOc2c1
C[C@@H](OCC1CC1)C(=O)Oc1ccc2c(c1)OCO2 C1CC1CO[*:1] C[C@@H](C(=O)Oc1ccc2OCOc2c1)[*:1]
C[C@@H](OCC1CC1)C(=O)Oc1ccc2c(c1)OCO2 C1CC1[*:1] C[C@@H](OC[*:1])C(=O)Oc1ccc2OCOc2c1
COCC(=O)Nc1ccn(C)n1 COC[*:1] Cn1ccc(n1)NC(=O)[*:1]
CNC(=O)C[NH2+]Cc1ccc(OC)cc1 CNC(=O)[*:1] COc1ccc(cc1)C[NH2+]C[*:1]
CNC(=O)C[NH2+]Cc1ccc(OC)cc1 CNC(=O)C[*:1] COc1ccc(cc1)C[NH2+][*:1]
COc1ccc(-n2cc(CNC(=O)N[C@@H](C)C(C)C)nn2)cc1 CC(C)[C@H](C)[*:1] COc1ccc(cc1)-n1cc(CNC(=O)N[*:1])nn1
COc1ccc(-n2cc(CNC(=O)N[C@@H](C)C(C)C)nn2)cc1 CC(C)[*:1] COc1ccc(cc1)-n1cc(CNC(=O)N[C@@H](C)[*:1])nn1
CC(C)Nc1cccc(CNC(=O)Cc2cnn(-c3ccccc3)c2)c1 CC(C)N[*:1] O=C(Cc1cnn(c1)-c1ccccc1)NCc1cccc(c1)[*:1]
CC(C)Nc1cccc(CNC(=O)Cc2cnn(-c3ccccc3)c2)c1 CC(C)[*:1] O=C(Cc1cnn(c1)-c1ccccc1)NCc1cccc(c1)N[*:1]
CC(C)Nc1cccc(CNC(=O)Cc2cnn(-c3ccccc3)c2)c1 c1ccc(cc1)[*:1] CC(C)Nc1cccc(c1)CNC(=O)Cc1cnn(c1)[*:1]
CC1(C)CN(C(=O)Nc2cnc(C(C)(C)C)nc2)CCS1 CC(C)(C)[*:1] CC1(C)CN(CCS1)C(=O)Nc1cnc(nc1)[*:1]
CS(=O)(=O)CC[C@H](C(=O)NCc1ccccn1)N1Cc2ccccc2C1=O CS(=O)(=O)CC[*:1] O=C(NCc1ccccn1)[C@H](N1Cc2ccccc2C1=O)[*:1]
CS(=O)(=O)CC[C@H](C(=O)NCc1ccccn1)N1Cc2ccccc2C1=O CS(=O)(=O)[*:1] O=C(NCc1ccccn1)[C@@H](CC[*:1])N1Cc2ccccc2C1=O
CS(=O)(=O)CC[C@H](C(=O)NCc1ccccn1)N1Cc2ccccc2C1=O c1ccc(nc1)[*:1] CS(=O)(=O)CC[C@H](C(=O)NC[*:1])N1Cc2ccccc2C1=O
CS(=O)(=O)CC[C@H](C(=O)NCc1ccccn1)N1Cc2ccccc2C1=O c1ccc(C[*:1])nc1 CS(=O)(=O)CC[C@H](C(=O)N[*:1])N1Cc2ccccc2C1=O
CS(=O)(=O)CC[C@H](C(=O)NCc1ccccn1)N1Cc2ccccc2C1=O CS(=O)(=O)C[*:1] O=C(NCc1ccccn1)[C@@H](C[*:1])N1Cc2ccccc2C1=O
CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 CS(=O)(=O)[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N(CC[*:1])C1CC1
CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 CS(=O)(=O)C[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N(C[*:1])C1CC1
CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 CS(=O)(=O)CC[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N(C1CC1)[*:1]
CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 C1CC1[*:1] CS(=O)(=O)CCN(S(=O)(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
C[C@H]1CN(c2ccccc2NC(=O)NCc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)NCc1cccc(c1)[*:1]
O=C(CSc1ccccc1F)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ccccc1F)NC[*:1]
COCc1cccc(NC(=O)NCCc2nc(C(C)C)no2)c1 CC(C)[*:1] COCc1cccc(c1)NC(=O)NCCc1nc(no1)[*:1]
COCc1cccc(NC(=O)NCCc2nc(C(C)C)no2)c1 COC[*:1] CC(C)c1noc(CCNC(=O)Nc2cccc(c2)[*:1])n1
CC[C@H](C)COc1ccc(C[C@H]([NH3+])CC)nc1 CC[C@H](C)[*:1] CC[C@@H]([NH3+])Cc1ccc(cn1)OC[*:1]
CC[C@H](C)COc1ccc(C[C@H]([NH3+])CC)nc1 CC[C@H](C)C[*:1] CC[C@@H]([NH3+])Cc1ccc(cn1)O[*:1]
Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(C)c1Cc1ccccc1F Clc1ccccc1C[*:1] Cc1nc2c(cnn2c(C)c1Cc1ccccc1F)C(=O)N[*:1]
Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(C)c1Cc1ccccc1F Fc1ccccc1[*:1] Cc1nc2c(cnn2c(C)c1C[*:1])C(=O)NCc1ccccc1Cl
Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(C)c1Cc1ccccc1F Clc1ccccc1[*:1] Cc1nc2c(cnn2c(C)c1Cc1ccccc1F)C(=O)NC[*:1]
Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(C)c1Cc1ccccc1F Fc1ccccc1C[*:1] Cc1nc2c(cnn2c(C)c1[*:1])C(=O)NCc1ccccc1Cl
CC[NH+]1CCC(n2nccc2NC(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] CC[NH+]1CCC(CC1)n1nccc1NC(=O)[*:1]
COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCCO)CCO2 OCC[*:1] COc1ccc2OCC[C@@H]([NH2+][C@H](C)C[*:1])c2c1
COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCCO)CCO2 OCCC[*:1] COc1ccc2OCC[C@@H]([NH2+][C@H](C)[*:1])c2c1
CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)C(C)(C)C CC(C)(C)[*:1] CCN(Cc1nc(no1)-c1ccc(OC)c(c1)OC)C(=O)[*:1]
C#CCN(CC#C)Cc1ccc(O)c(Cl)c1 C#CC[*:1] C#CCN(Cc1ccc(O)c(Cl)c1)[*:1]
O=C(CCc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(CCc1ccccc1)N[C@H](c1nnc(o1)-c1ccccc1)[*:1]
O=C(CCc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)CC[*:1] O=C(N[C@H](c1ccccc1)c1nnc(o1)-c1ccccc1)[*:1]
O=C(CCc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(CC[*:1])N[C@H](c1ccccc1)c1nnc(o1)-c1ccccc1
O=C(CCc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)C[*:1] O=C(C[*:1])N[C@H](c1ccccc1)c1nnc(o1)-c1ccccc1
O=C(CCc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(CCc1ccccc1)N[C@H](c1ccccc1)c1nnc(o1)[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H](C)c2sc(C)nc2C)CC1=O Cc1nc(C)c(s1)[*:1] COc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)N[C@H](C)[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H](C)c2sc(C)nc2C)CC1=O COc1ccc(Cl)cc1[*:1] Cc1nc(C)c(s1)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[*:1]
O=C(Nc1ccccc1NC(=O)c1cccc2[nH]ccc12)c1ccccc1 c1cc(c2cc[nH]c2c1)[*:1] O=C(Nc1ccccc1NC(=O)[*:1])c1ccccc1
O=C(Nc1ccccc1NC(=O)c1cccc2[nH]ccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1NC(=O)[*:1])c1cccc2[nH]ccc12
O=C(Nc1ccccc1NC(=O)c1cccc2[nH]ccc12)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(Nc1ccccc1[*:1])c1cccc2[nH]ccc12
O=C(NCc1ccncc1)C1c2ccccc2Oc2ccccc21 c1cc(ccn1)[*:1] O=C(NC[*:1])C1c2ccccc2Oc2ccccc21
O=C(NCc1ccncc1)C1c2ccccc2Oc2ccccc21 c1cc(ccn1)C[*:1] O=C(N[*:1])C1c2ccccc2Oc2ccccc21
CN(CC(C)(C)O)C(=O)NCCC1CCN(c2cc[nH+]cc2)CC1 CC(C)(O)C[*:1] CN(C(=O)NCCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CN(CC(C)(C)O)C(=O)NCCC1CCN(c2cc[nH+]cc2)CC1 CC(C)(O)[*:1] CN(C[*:1])C(=O)NCCC1CCN(CC1)c1cc[nH+]cc1
COCCc1noc(CN2CCC[C@@H]2c2noc(C(C)C)n2)n1 COC[*:1] CC(C)c1nc(no1)[C@H]1CCCN1Cc1nc(C[*:1])no1
COCCc1noc(CN2CCC[C@@H]2c2noc(C(C)C)n2)n1 CC(C)[*:1] COCCc1noc(CN2CCC[C@@H]2c2noc(n2)[*:1])n1
COCCc1noc(CN2CCC[C@@H]2c2noc(C(C)C)n2)n1 COCC[*:1] CC(C)c1nc(no1)[C@H]1CCCN1Cc1nc(no1)[*:1]
Fc1ccc(-c2cc(-c3nnc4sc(COc5ccc(Cl)cc5)nn34)[nH]n2)cc1 Clc1ccc(cc1)O[*:1] Fc1ccc(cc1)-c1cc([nH]n1)-c1nnc2sc(C[*:1])nn12
Fc1ccc(-c2cc(-c3nnc4sc(COc5ccc(Cl)cc5)nn34)[nH]n2)cc1 Fc1ccc(cc1)[*:1] Clc1ccc(cc1)OCc1nn2c(nnc2s1)-c1cc(n[nH]1)[*:1]
Fc1ccc(-c2cc(-c3nnc4sc(COc5ccc(Cl)cc5)nn34)[nH]n2)cc1 Clc1ccc(cc1)[*:1] Fc1ccc(cc1)-c1cc([nH]n1)-c1nnc2sc(CO[*:1])nn12
Fc1ccc(-c2cc(-c3nnc4sc(COc5ccc(Cl)cc5)nn34)[nH]n2)cc1 Clc1ccc(cc1)OC[*:1] Fc1ccc(cc1)-c1cc([nH]n1)-c1nnc2sc(nn12)[*:1]
O=C(Nc1cc(-c2ccco2)no1)c1ccc(F)c(F)c1 c1coc(c1)[*:1] O=C(Nc1cc(no1)[*:1])c1ccc(F)c(F)c1
Cc1cc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)n(C[*:1])n1
Cc1cc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)n(n1)[*:1]
CC(C)(C)NC(=O)N1CCC(CNC(=O)Cn2c(=O)oc3ccccc32)CC1 CC(C)(C)[*:1] O=C(Cn1c(=O)oc2ccccc21)NCC1CCN(CC1)C(=O)N[*:1]
C[C@H]1c2ccccc2O[C@H]1C(=O)NNC(=O)Cc1ccncc1 c1cc(ccn1)[*:1] C[C@H]1c2ccccc2O[C@H]1C(=O)NNC(=O)C[*:1]
C[C@H]1c2ccccc2O[C@H]1C(=O)NNC(=O)Cc1ccncc1 c1cc(ccn1)C[*:1] C[C@H]1c2ccccc2O[C@H]1C(=O)NNC(=O)[*:1]
CC(=O)Nc1cccc(COC(=O)[C@@H](C)Cc2cccs2)c1 c1csc(c1)C[*:1] CC(=O)Nc1cccc(c1)COC(=O)[C@@H](C)[*:1]
CC(=O)Nc1cccc(COC(=O)[C@@H](C)Cc2cccs2)c1 c1csc(c1)[*:1] CC(=O)Nc1cccc(c1)COC(=O)[C@@H](C)C[*:1]
CC(=O)Nc1cccc(COC(=O)[C@@H](C)Cc2cccs2)c1 CC(=O)N[*:1] C[C@@H](Cc1cccs1)C(=O)OCc1cccc(c1)[*:1]
CC(C)COCCNS(=O)(=O)N1CCC[C@@H](C)C1 CC(C)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)NCCOC[*:1]
CC(C)COCCNS(=O)(=O)N1CCC[C@@H](C)C1 CC(C)CO[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)NCC[*:1]
CC(C)COCCNS(=O)(=O)N1CCC[C@@H](C)C1 CC(C)COC[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)NC[*:1]
CC(C)COCCNS(=O)(=O)N1CCC[C@@H](C)C1 CC(C)C[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)NCCO[*:1]
Cn1nccc1NC(=O)C[C@H](O)c1ccc(Cl)cc1 Cn1nccc1[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)N[*:1]
COc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1C COc1ccccc1[*:1] Cc1ccc(cc1NC(=O)CN[*:1])C(F)(F)F
COc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1C FC(F)(F)[*:1] COc1ccccc1NCC(=O)Nc1cc(ccc1C)[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCN(CC)C(=O)c1ccccc1NC(=O)[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 CCN(CC)C(=O)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(Cl)c1
COCc1ccc(C[NH+]2CCC3(CCC3)C2)cc1 COC[*:1] c1cc(ccc1C[NH+]1CCC2(CCC2)C1)[*:1]
O=C(NCCNC(=O)c1cccnc1)Nc1ccc(F)c(F)c1 c1cncc(c1)[*:1] O=C(NCCNC(=O)[*:1])Nc1ccc(F)c(F)c1
O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc(c1)[*:1]
C[C@](O)(CNC(=O)CN1C(=O)CCC1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNC(=O)CN1C(=O)CCC1=O)[*:1]
C[C@](O)(CNC(=O)CN1C(=O)CCC1=O)c1ccccc1 O=C1CCC(=O)N1[*:1] C[C@](O)(CNC(=O)C[*:1])c1ccccc1
CN(CCS(C)(=O)=O)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CN(CCS(C)(=O)=O)C(=O)c1cnn(c1)[*:1]
CN(CCS(C)(=O)=O)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)c1cnn(c1)-c1ccc(Cl)cc1
CN(CCS(C)(=O)=O)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 CS(=O)(=O)CC[*:1] CN(C(=O)c1cnn(c1)-c1ccc(Cl)cc1)[*:1]
CN(CCS(C)(=O)=O)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)c1cnn(c1)-c1ccc(Cl)cc1
Cc1nccn1-c1cncc(N[C@@H](C)c2ccc(-n3cncn3)cc2)n1 c1ncn(n1)[*:1] Cc1nccn1-c1cncc(n1)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1nccn1-c1cncc(N[C@@H](C)c2ccc(-n3cncn3)cc2)n1 Cc1nccn1[*:1] C[C@H](Nc1cncc(n1)[*:1])c1ccc(cc1)-n1cncn1
C[C@H]1CN(C(=O)CCc2nc(-c3ncccn3)no2)C(C)(C)CO1 c1cnc(nc1)[*:1] C[C@H]1CN(C(=O)CCc2nc(no2)[*:1])C(C)(C)CO1
COCc1ccccc1NC(=O)N(C)Cc1cnc(C)s1 Cc1ncc(s1)[*:1] COCc1ccccc1NC(=O)N(C)C[*:1]
COCc1ccccc1NC(=O)N(C)Cc1cnc(C)s1 Cc1ncc(C[*:1])s1 COCc1ccccc1NC(=O)N(C)[*:1]
COCc1ccccc1NC(=O)N(C)Cc1cnc(C)s1 COC[*:1] Cc1ncc(CN(C)C(=O)Nc2ccccc2[*:1])s1
C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Cn1cc(cn1)[*:1]
Cc1ccc(C#N)c(N2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)n1 c1cncc(c1)[*:1] Cc1ccc(C#N)c(n1)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
Cc1ccc(C#N)c(N2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)n1 Cc1ccc(C#N)c(n1)[*:1] O=C1CCC2(CCN(CC2)[*:1])CN1Cc1cccnc1
Cc1ccc(C#N)c(N2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)n1 c1cncc(c1)C[*:1] Cc1ccc(C#N)c(n1)N1CCC2(CCC(=O)N(C2)[*:1])CC1
CCCCCn1c(=O)c2ccccc2n2c(SC(C)C)nnc12 CC(C)S[*:1] CCCCCn1c(=O)c2ccccc2n2c(nnc12)[*:1]
CCCCCn1c(=O)c2ccccc2n2c(SC(C)C)nnc12 CCCC[*:1] CC(C)Sc1nnc2n(C[*:1])c(=O)c3ccccc3n12
CCCCCn1c(=O)c2ccccc2n2c(SC(C)C)nnc12 CCC[*:1] CC(C)Sc1nnc2n(CC[*:1])c(=O)c3ccccc3n12
CCCCCn1c(=O)c2ccccc2n2c(SC(C)C)nnc12 CC(C)[*:1] CCCCCn1c(=O)c2ccccc2n2c(nnc12)S[*:1]
CCCCCn1c(=O)c2ccccc2n2c(SC(C)C)nnc12 CCCCC[*:1] CC(C)Sc1nnc2n(c(=O)c3ccccc3n12)[*:1]
O=C(NC1CCC(O)CC1)c1cn(Cc2cccc(Cl)c2)nn1 OC1CCC(CC1)[*:1] O=C(N[*:1])c1cn(Cc2cccc(Cl)c2)nn1
O=C(NC1CCC(O)CC1)c1cn(Cc2cccc(Cl)c2)nn1 Clc1cccc(c1)[*:1] O=C(NC1CCC(O)CC1)c1cn(C[*:1])nn1
O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1OCc1cscn1 c1nc(cs1)CO[*:1] O=C(Nc1ccc(cc1)-c1nccs1)c1ccccc1[*:1]
O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1OCc1cscn1 c1csc(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1OCc1cscn1
O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1OCc1cscn1 c1nc(cs1)[*:1] O=C(Nc1ccc(cc1)-c1nccs1)c1ccccc1OC[*:1]
O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1OCc1cscn1 c1nc(cs1)C[*:1] O=C(Nc1ccc(cc1)-c1nccs1)c1ccccc1O[*:1]
N#CCCN1C(=O)C[C@@]2(CCSC2)C1=O N#CCC[*:1] O=C1C[C@@]2(CCSC2)C(=O)N1[*:1]
N#CCCN1C(=O)C[C@@]2(CCSC2)C1=O N#CC[*:1] O=C1C[C@@]2(CCSC2)C(=O)N1C[*:1]
C[C@@H](CCN1CCOCC1)[NH2+]Cc1cccc(C#N)c1 C1CN(CCO1)[*:1] C[C@@H](CC[*:1])[NH2+]Cc1cccc(C#N)c1
Fc1ccc(-c2n[nH]cc2CNCc2cccnc2-n2cccn2)cc1 c1cnn(c1)[*:1] Fc1ccc(cc1)-c1n[nH]cc1CNCc1cccnc1[*:1]
Fc1ccc(-c2n[nH]cc2CNCc2cccnc2-n2cccn2)cc1 Fc1ccc(cc1)[*:1] c1cnc(c(c1)CNCc1c[nH]nc1[*:1])-n1cccn1
O=c1c2c(-c3ccc(Cl)cc3)n3ncnc3nc2ccn1Cc1ccccn1 c1ccc(C[*:1])nc1 O=c1c2c(-c3ccc(Cl)cc3)n3ncnc3nc2ccn1[*:1]
O=c1c2c(-c3ccc(Cl)cc3)n3ncnc3nc2ccn1Cc1ccccn1 c1ccc(nc1)[*:1] O=c1c2c(-c3ccc(Cl)cc3)n3ncnc3nc2ccn1C[*:1]
O=c1c2c(-c3ccc(Cl)cc3)n3ncnc3nc2ccn1Cc1ccccn1 Clc1ccc(cc1)[*:1] O=c1c2c(n3ncnc3nc2ccn1Cc1ccccn1)[*:1]
C[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nc(C)n[nH]2)C1 NC(=O)[*:1] C[NH2+][C@@]1(CCC[C@@H](C1)Sc1nc(C)n[nH]1)[*:1]
C[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2nc(C)n[nH]2)C1 Cc1n[nH]c(n1)[*:1] C[NH2+][C@@]1(CCC[C@@H](C1)S[*:1])C(N)=O
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cccs2)c1C c1csc(c1)[*:1] Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[*:1])c1C
Cc1ccoc1[C@@H](C)[NH2+][C@@H](CO)c1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1ccoc1[C@@H](C)[NH2+][C@@H](CO)[*:1]
Cc1ccoc1[C@@H](C)[NH2+][C@@H](CO)c1cnn(C)c1 Cc1ccoc1[*:1] C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)[*:1]
Cc1nc(Cc2nnc(SCc3nc(C(C)C)no3)o2)cs1 Cc1nc(cs1)[*:1] CC(C)c1noc(CSc2nnc(C[*:1])o2)n1
Cc1nc(Cc2nnc(SCc3nc(C(C)C)no3)o2)cs1 CC(C)[*:1] Cc1nc(cs1)Cc1nnc(o1)SCc1nc(no1)[*:1]
Cc1nc(Cc2nnc(SCc3nc(C(C)C)no3)o2)cs1 Cc1nc(cs1)C[*:1] CC(C)c1noc(CSc2nnc(o2)[*:1])n1
CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc2cnccc12 Clc1ccc(s1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1cccc2cnccc12
CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc2cnccc12 Clc1ccc(C[*:1])s1 CN(C(=O)C(=O)Nc1cccc2cnccc12)[*:1]
O=C(CCNC(=O)c1ccc2ccccc2c1)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(CCNC(=O)c1ccc2ccccc2c1)N[C@@H](CO)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 CC(=O)[*:1] O=C([C@@H]1CC=CCC1)N1CCN(CC1)c1ccc(cc1)[*:1]
COc1ccc2c(C)cc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)nc2c1 O=[N+]([O-])[*:1] COc1ccc2c(C)cc(nc2c1)S[C@@H](C)C(=O)Nc1cc(ccc1OC)[*:1]
COc1ccc2oc(C(=O)NNc3ccccc3[N+](=O)[O-])c(C)c2c1 O=[N+]([O-])[*:1] COc1ccc2oc(C(=O)NNc3ccccc3[*:1])c(C)c2c1
CC[C@H](C)Oc1cccc(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 CC[C@H](C)[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)O[*:1])c1cc2ccccc2o1
CC[C@H](C)Oc1cccc(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 c1ccc2oc(cc2c1)[*:1] CC[C@H](C)Oc1cccc(c1)NC(=O)C(=O)N[C@@H](C)[*:1]
CC[C@H](C)Oc1cccc(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 CC[C@H](C)O[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)[*:1])c1cc2ccccc2o1
CCN1CCC([NH+]2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)CC1 Cc1cccc(c1)[*:1] CCN1CCC(CC1)[NH+]1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
CCc1cccc(C)c1NC(=O)[C@H](C)O/N=C(/N)Cc1ccccc1C Cc1ccccc1C[*:1] CCc1cccc(C)c1NC(=O)[C@H](C)O/N=C(/N)[*:1]
CCc1cccc(C)c1NC(=O)[C@H](C)O/N=C(/N)Cc1ccccc1C Cc1ccccc1[*:1] CCc1cccc(C)c1NC(=O)[C@H](C)O/N=C(/N)C[*:1]
COCCn1c(C(=O)N2CCN(CCc3ccccn3)CC2)cc2ccccc21 c1ccc(C[*:1])nc1 COCCn1c(cc2ccccc21)C(=O)N1CCN(CC1)C[*:1]
COCCn1c(C(=O)N2CCN(CCc3ccccn3)CC2)cc2ccccc21 COCC[*:1] O=C(c1cc2ccccc2n1[*:1])N1CCN(CCc2ccccn2)CC1
COCCn1c(C(=O)N2CCN(CCc3ccccn3)CC2)cc2ccccc21 c1ccc(CC[*:1])nc1 COCCn1c(cc2ccccc21)C(=O)N1CCN(CC1)[*:1]
COCCn1c(C(=O)N2CCN(CCc3ccccn3)CC2)cc2ccccc21 c1ccc(nc1)[*:1] COCCn1c(cc2ccccc21)C(=O)N1CCN(CC1)CC[*:1]
COCCn1c(C(=O)N2CCN(CCc3ccccn3)CC2)cc2ccccc21 COC[*:1] O=C(c1cc2ccccc2n1C[*:1])N1CCN(CCc2ccccn2)CC1
C[C@@H](O)CN1C[C@@H](C)OC1=O C[C@@H](O)[*:1] C[C@@H]1CN(C[*:1])C(=O)O1
C[C@H](CNC(=O)NCc1ccnc(-n2ccnc2)c1)CN1CC[NH+](C)CC1 c1cn(cn1)[*:1] C[C@H](CNC(=O)NCc1ccnc(c1)[*:1])CN1CC[NH+](C)CC1
Cc1n[nH]c(SCC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)n1 Cc1n[nH]c(n1)[*:1] O=C(CS[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
Cc1n[nH]c(SCC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)n1 C1CCC(C1)O[*:1] Cc1n[nH]c(n1)SCC(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cc1n[nH]c(SCC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)n1 Cc1n[nH]c(n1)S[*:1] O=C(C[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
Cc1n[nH]c(SCC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)n1 C1CCC(C1)[*:1] Cc1n[nH]c(n1)SCC(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
NC(=O)[C@@H](NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
NC(=O)[C@@H](NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccccc1 NC(=O)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)N[C@@H](c1ccccc1)[*:1]
Cc1ccc2nc([C@H](C)Cl)n([C@@H](C)c3nc(C)cs3)c2c1 Cc1csc(n1)[*:1] Cc1ccc2nc([C@H](C)Cl)n(c2c1)[C@@H](C)[*:1]
Cc1ccc2nc([C@H](C)Cl)n([C@@H](C)c3nc(C)cs3)c2c1 C[C@H](Cl)[*:1] Cc1ccc2nc(n(c2c1)[C@@H](C)c1nc(C)cs1)[*:1]
CC[C@H](O)[C@@H](C)c1ccc(C(C)C)cc1 CC(C)[*:1] CC[C@H](O)[C@@H](C)c1ccc(cc1)[*:1]
CC[C@H](O)[C@@H](C)c1ccc(C(C)C)cc1 CC[C@H](O)[*:1] CC(C)c1ccc(cc1)[C@H](C)[*:1]
CC(=O)N(C)c1ccc(OCc2cnc(Cl)s2)cc1 Clc1ncc(s1)[*:1] CC(=O)N(C)c1ccc(cc1)OC[*:1]
CC(=O)N(C)c1ccc(OCc2cnc(Cl)s2)cc1 CC(=O)N(C)[*:1] Clc1ncc(COc2ccc(cc2)[*:1])s1
C=CCNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] C=CCNC(=O)[*:1] O=[N+]([O-])c1cc(ccc1SC[*:1])C(F)(F)F
C=CCNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] C=CCNC(=O)CSc1ccc(cc1[N+](=O)[O-])[*:1]
C=CCNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] C=CC[*:1] O=C(CSc1ccc(cc1[N+](=O)[O-])C(F)(F)F)N[*:1]
C=CCNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C=CCNC(=O)CSc1ccc(cc1[*:1])C(F)(F)F
C=CCNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] C=CCNC(=O)C[*:1] O=[N+]([O-])c1cc(ccc1S[*:1])C(F)(F)F
Cc1cc(C[NH+](C)C)c(O)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cc1cc(C[NH+](C)C)c(O)c(n1)[*:1]
CN(C)C(=O)c1ccc(N)c(N[C@@H]2CCCC2(C)C)c1 CN(C)C(=O)[*:1] CC1(C)CCC[C@H]1Nc1cc(ccc1N)[*:1]
CSC[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1C CSC[*:1] C[C@H](NC(=O)N[C@@H]1CCC[C@H]1C)[*:1]
CSC[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1C CSC[C@H](C)[*:1] C[C@@H]1CCC[C@H]1NC(=O)N[*:1]
COc1ccccc1CCNC(=O)CN1CCN(c2ccc3c(c2)OCO3)C1=O COc1ccccc1C[*:1] O=C(CN1CCN(C1=O)c1ccc2OCOc2c1)NC[*:1]
COc1ccccc1CCNC(=O)CN1CCN(c2ccc3c(c2)OCO3)C1=O COc1ccccc1[*:1] O=C(CN1CCN(C1=O)c1ccc2OCOc2c1)NCC[*:1]
COc1ccccc1CCNC(=O)CN1CCN(c2ccc3c(c2)OCO3)C1=O c1cc2OCOc2cc1[*:1] COc1ccccc1CCNC(=O)CN1CCN(C1=O)[*:1]
SC/C=C/C[NH+](C1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] SC/C=C/C[NH+](C1CCCCC1)[*:1]
O=c1c2sc(N3CCOCC3)nc2ncn1Cc1nc(-c2cccc(F)c2)no1 C1CN(CCO1)[*:1] O=c1c2sc(nc2ncn1Cc1nc(no1)-c1cccc(F)c1)[*:1]
O=c1c2sc(N3CCOCC3)nc2ncn1Cc1nc(-c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] O=c1c2sc(nc2ncn1Cc1nc(no1)[*:1])N1CCOCC1
CC[NH2+][C@@H]1[C@@H]([S@@](=O)Cc2ccccc2C)CCCC1(C)C Cc1ccccc1[*:1] CC[NH2+][C@@H]1[C@H](CCCC1(C)C)[S@@](=O)C[*:1]
CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccnc(F)c3)cc2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccnc(F)c1
CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccnc(F)c3)cc2)cc1 Fc1cc(ccn1)[*:1] CCOc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccnc(F)c3)cc2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)NC(=O)c1ccnc(F)c1
CCN1C(=O)[C@@]2(c3ccccc31)[C@H](C(=O)Nc1ccc(Br)cc1)C[C@H]1CSCN12 Brc1ccc(cc1)[*:1] CCN1C(=O)[C@@]2(c3ccccc31)[C@@H](C[C@H]1CSCN12)C(=O)N[*:1]
Cn1c(SCC(=O)C2CCOCC2)nnc1-c1ccccc1F Fc1ccccc1[*:1] Cn1c(nnc1[*:1])SCC(=O)C1CCOCC1
Cn1c(SCC(=O)C2CCOCC2)nnc1-c1ccccc1F C1CC(CCO1)[*:1] Cn1c(nnc1-c1ccccc1F)SCC(=O)[*:1]
Cc1ccc2nc(-c3cc4cccc(C)c4[nH]c3=O)c(NCc3ccc4c(c3)OCO4)n2c1 c1cc2OCOc2cc1CN[*:1] Cc1ccc2nc(-c3cc4cccc(C)c4[nH]c3=O)c(n2c1)[*:1]
Cc1ccc2nc(-c3cc4cccc(C)c4[nH]c3=O)c(NCc3ccc4c(c3)OCO4)n2c1 c1cc2OCOc2cc1[*:1] Cc1ccc2nc(-c3cc4cccc(C)c4[nH]c3=O)c(NC[*:1])n2c1
Cc1ccc2nc(-c3cc4cccc(C)c4[nH]c3=O)c(NCc3ccc4c(c3)OCO4)n2c1 c1cc2OCOc2cc1C[*:1] Cc1ccc2nc(-c3cc4cccc(C)c4[nH]c3=O)c(N[*:1])n2c1
CCOC[C@H]1CCCN(C(=O)NCc2ccc(SC)cc2)C1 CCOC[*:1] CSc1ccc(cc1)CNC(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)NCc2ccc(SC)cc2)C1 CCO[*:1] CSc1ccc(cc1)CNC(=O)N1CCC[C@@H](C1)C[*:1]
CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 CC1CCN(CC1)C(=O)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Cn1c(nc2ccccc21)S[*:1]
CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 CC1CCN(CC1)C(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Cn1c(nc2ccccc21)SC[*:1]
CC1(NC(=O)NC(C2CC2)C2CC2)Cc2ccccc2C1 C1CC1[*:1] CC1(Cc2ccccc2C1)NC(=O)NC(C1CC1)[*:1]
CC1(NC(=O)NC(C2CC2)C2CC2)Cc2ccccc2C1 C1CC1C(C1CC1)[*:1] CC1(Cc2ccccc2C1)NC(=O)N[*:1]
COc1cc2[nH]c3c(N4CCN(c5cccc(Cl)c5)CC4)ncnc3c2cc1OC Clc1cccc(c1)[*:1] COc1cc2[nH]c3c(ncnc3c2cc1OC)N1CCN(CC1)[*:1]
O=c1c(/C=N/c2ccccc2)c([O-])n2c3c(cccc13)CCC2 c1ccc(cc1)[*:1] O=c1c(C=N[*:1])c([O-])n2CCCc3cccc1c32
C[NH+]1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)cn2)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)[C@@H](NC(=O)c1cccs1)[*:1]
C[NH+]1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)cn2)CC1 O=C(N[*:1])c1cccs1 C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)[C@@H](Cc1ccccc1)[*:1]
C[NH+]1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)cn2)CC1 c1csc(c1)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[*:1]
C[NH+]1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)cn2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)[C@@H](C[*:1])NC(=O)c1cccs1
Cc1ncsc1CCC(=O)N1CCCN(c2cc[nH+]cc2)CC1 Cc1ncsc1C[*:1] O=C(C[*:1])N1CCCN(CC1)c1cc[nH+]cc1
Cc1ncsc1CCC(=O)N1CCCN(c2cc[nH+]cc2)CC1 Cc1ncsc1[*:1] O=C(CC[*:1])N1CCCN(CC1)c1cc[nH+]cc1
CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CC[C@H](C)[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])c1ccc(c(F)c1)S(C)(=O)=O
CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(c(F)c1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CC[C@H](C)[C@@H](C)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(c(F)c1)S(C)(=O)=O
COc1ccc(Cc2nnc(NC(=O)Cc3ccccc3[N+](=O)[O-])s2)cc1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(cc1)Cc1nnc(NC(=O)C[*:1])s1
COc1ccc(Cc2nnc(NC(=O)Cc3ccccc3[N+](=O)[O-])s2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnc(C[*:1])s1
COc1ccc(Cc2nnc(NC(=O)Cc3ccccc3[N+](=O)[O-])s2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)Cc1nnc(NC(=O)Cc2ccccc2[*:1])s1
COc1ccc(Cc2nnc(NC(=O)Cc3ccccc3[N+](=O)[O-])s2)cc1 COc1ccc(cc1)C[*:1] O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnc(s1)[*:1]
CCC[C@H](C)C[C@H]([NH3+])c1cc(F)cc(Br)c1 CCC[*:1] C[C@H](C[C@H]([NH3+])c1cc(F)cc(Br)c1)[*:1]
CCC[C@H](C)C[C@H]([NH3+])c1cc(F)cc(Br)c1 CCC[C@H](C)[*:1] [NH3+][C@@H](C[*:1])c1cc(F)cc(Br)c1
Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NC[C@@H](S(=O)(=O)c1ccc(F)cc1)[*:1]
Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)c(C)c1 O=S(=O)(c1ccc(F)cc1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NC[C@@H](c1cccs1)[*:1]
Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NC[C@@H](c1cccs1)S(=O)(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=S(=O)(c1ccc(F)cc1)[C@@H](CNS(=O)(=O)[*:1])c1cccs1
CCOC(=O)c1ccccc1Nc1ncnc(N2CCCC[C@@H]2C)c1N CCOC(=O)[*:1] C[C@H]1CCCCN1c1ncnc(Nc2ccccc2[*:1])c1N
Cc1c(NC(=O)C2CC2)cccc1N1C(=O)c2ccccc2C1=O O=C(N[*:1])C1CC1 Cc1c(cccc1[*:1])N1C(=O)c2ccccc2C1=O
Cc1c(NC(=O)C2CC2)cccc1N1C(=O)c2ccccc2C1=O C1CC1[*:1] Cc1c(cccc1N1C(=O)c2ccccc2C1=O)NC(=O)[*:1]
N#Cc1c([O-])n(Cc2ccccc2)c2ccccc2c1=O c1ccc(cc1)C[*:1] N#Cc1c([O-])n(c2ccccc2c1=O)[*:1]
N#Cc1c([O-])n(Cc2ccccc2)c2ccccc2c1=O c1ccc(cc1)[*:1] N#Cc1c([O-])n(C[*:1])c2ccccc2c1=O
Cc1sc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(C(N)=O)c1C Cc1sc(c(C(N)=O)c1C)[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc(F)cc1
Cc1sc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(C(N)=O)c1C NC(=O)[*:1] Cc1sc(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(F)cc2)c(c1C)[*:1]
Cc1sc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(C(N)=O)c1C Fc1ccc(cc1)[*:1] Cc1sc(NC(=O)c2ccc(cc2)NS(=O)(=O)[*:1])c(C(N)=O)c1C
COc1cccc([C@H]2CCCCN2C(=O)c2cccc(-n3cccn3)c2)c1 c1cnn(c1)[*:1] COc1cccc(c1)[C@H]1CCCCN1C(=O)c1cccc(c1)[*:1]
COc1cccc([C@H]2CCCCN2C(=O)c2cccc(-n3cccn3)c2)c1 COc1cccc(c1)[*:1] O=C(c1cccc(c1)-n1cccn1)N1CCCC[C@@H]1[*:1]
CC[C@@H](CC[NH3+])N1CCCN([C@@H](C)C(N)=O)CC1 NC(=O)[*:1] CC[C@@H](CC[NH3+])N1CCCN(CC1)[C@@H](C)[*:1]
CC[C@@H](CC[NH3+])N1CCCN([C@@H](C)C(N)=O)CC1 [NH3+]CC[*:1] CC[C@@H](N1CCCN(CC1)[C@@H](C)C(N)=O)[*:1]
CC[C@@H](CC[NH3+])N1CCCN([C@@H](C)C(N)=O)CC1 C[C@@H](C(N)=O)[*:1] CC[C@@H](CC[NH3+])N1CCCN(CC1)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)CO/N=C(\N)C(F)(F)F FC(F)(F)[*:1] CC(C)C[C@@H](C)N(C)C(=O)CO/N=C(\N)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)CO/N=C(\N)C(F)(F)F CC(C)C[*:1] C[C@@H](N(C)C(=O)CO/N=C(\N)C(F)(F)F)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)CO/N=C(\N)C(F)(F)F CC(C)[*:1] C[C@H](C[*:1])N(C)C(=O)CO/N=C(\N)C(F)(F)F
CC(C)C[C@@H](C)N(C)C(=O)CO/N=C(\N)C(F)(F)F CC(C)C[C@@H](C)[*:1] CN(C(=O)CO/N=C(\N)C(F)(F)F)[*:1]
Cc1ccc(-c2nnc3ccc(SC(C)C)nn23)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1nnc2ccc(nn12)S[*:1]
Cc1ccc(-c2nnc3ccc(SC(C)C)nn23)cc1 CC(C)S[*:1] Cc1ccc(cc1)-c1nnc2ccc(nn12)[*:1]
c1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)OCC[C@H]2[NH2+]C[*:1]
Cc1ccn(CCNC(=O)c2nc3ccc(F)cc3[nH]2)n1 Cc1ccn(C[*:1])n1 O=C(NC[*:1])c1nc2ccc(F)cc2[nH]1
Cc1ccn(CCNC(=O)c2nc3ccc(F)cc3[nH]2)n1 Cc1ccn(n1)[*:1] O=C(NCC[*:1])c1nc2ccc(F)cc2[nH]1
COc1ccc2cc(CNc3ccccc3)c(=O)[nH]c2c1 c1ccc(cc1)N[*:1] COc1ccc2cc(C[*:1])c(=O)[nH]c2c1
COc1ccc2cc(CNc3ccccc3)c(=O)[nH]c2c1 c1ccc(cc1)[*:1] COc1ccc2cc(CN[*:1])c(=O)[nH]c2c1
CCOc1ccccc1C(=O)N1CCN(C(=O)c2cc[nH]n2)CC1 CCO[*:1] O=C(c1cc[nH]n1)N1CCN(CC1)C(=O)c1ccccc1[*:1]
C=CCn1c(Oc2ccc(C=O)cc2OCC)nc2c1c(=O)n(C)c(=O)n2C C=CC[*:1] CCOc1cc(C=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
C=CCn1c(Oc2ccc(C=O)cc2OCC)nc2c1c(=O)n(C)c(=O)n2C CCO[*:1] C=CCn1c(nc2c1c(=O)n(C)c(=O)n2C)Oc1ccc(C=O)cc1[*:1]
N#Cc1c(Cl)nsc1NCCS(=O)(=O)NC[C@H]1CCCCO1 C1CC[C@H](C[*:1])OC1 N#Cc1c(Cl)nsc1NCCS(=O)(=O)N[*:1]
N#Cc1c(Cl)nsc1NCCS(=O)(=O)NC[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] N#Cc1c(Cl)nsc1NCCS(=O)(=O)NC[*:1]
Cc1nc(CN[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)s1 Cc1nc(c(C)s1)[*:1] C[C@@H](NC[*:1])c1cc2OCOc2cc1[N+](=O)[O-]
Cc1nc(CN[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)s1 O=[N+]([O-])[*:1] Cc1nc(CN[C@H](C)c2cc3OCOc3cc2[*:1])c(C)s1
C[C@@H](CNC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)N1CCOCC1 C[C@@H](N1CCOCC1)[*:1] Cn1c(cc2cc(ccc21)C(F)(F)F)C(=O)NC[*:1]
C[C@@H](CNC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)N1CCOCC1 FC(F)(F)[*:1] C[C@@H](CNC(=O)c1cc2cc(ccc2n1C)[*:1])N1CCOCC1
C[C@@H](CNC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)c1cc2cc(ccc2n1C)C(F)(F)F)[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)c1ccoc1C Cc1occc1[*:1] Cc1ccccc1[C@H](C#N)NC(=O)[*:1]
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 O=C([O-])[*:1] O=C([C@@H]1CC=CC[C@H]1[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(CC1)C[*:1]
O=C(CN1CCN(c2[nH+]ccn2-c2ccccc2F)CC1)Nc1cccc(F)c1 Fc1ccccc1[*:1] O=C(CN1CCN(CC1)c1[nH+]ccn1[*:1])Nc1cccc(F)c1
O=C(CN1CCN(c2[nH+]ccn2-c2ccccc2F)CC1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CN1CCN(CC1)c1[nH+]ccn1-c1ccccc1F)N[*:1]
CNc1cc(C(=O)N2CCC([C@H](O)CC(C)C)CC2)ccn1 CC(C)C[C@@H](O)[*:1] CNc1cc(ccn1)C(=O)N1CCC(CC1)[*:1]
CNc1cc(C(=O)N2CCC([C@H](O)CC(C)C)CC2)ccn1 CC(C)[*:1] CNc1cc(ccn1)C(=O)N1CCC(CC1)[C@H](O)C[*:1]
CNc1cc(C(=O)N2CCC([C@H](O)CC(C)C)CC2)ccn1 CC(C)C[*:1] CNc1cc(ccn1)C(=O)N1CCC(CC1)[C@H](O)[*:1]
CC(C)N1CCO[C@@H]([C@H]([NH3+])c2cccc(Cl)c2Cl)C1 CC(C)[*:1] [NH3+][C@H](c1cccc(Cl)c1Cl)[C@H]1CN(CCO1)[*:1]
C=CCN(CC(=O)[O-])S(=O)(=O)Cc1cc(C)on1 O=C([O-])C[*:1] C=CCN(S(=O)(=O)Cc1cc(C)on1)[*:1]
C=CCN(CC(=O)[O-])S(=O)(=O)Cc1cc(C)on1 C=CC[*:1] Cc1cc(CS(=O)(=O)N(CC(=O)[O-])[*:1])no1
C=CCN(CC(=O)[O-])S(=O)(=O)Cc1cc(C)on1 O=C([O-])[*:1] C=CCN(C[*:1])S(=O)(=O)Cc1cc(C)on1
C=CCN(CC(=O)[O-])S(=O)(=O)Cc1cc(C)on1 Cc1cc(no1)[*:1] C=CCN(CC(=O)[O-])S(=O)(=O)C[*:1]
Cc1ccc2nc(C3CC3)cc(C(=O)OC[C@@H]3CCCO3)c2c1 C1CO[C@@H](C1)C[*:1] Cc1ccc2nc(cc(C(=O)O[*:1])c2c1)C1CC1
Cc1ccc2nc(C3CC3)cc(C(=O)OC[C@@H]3CCCO3)c2c1 C1CC1[*:1] Cc1ccc2nc(cc(C(=O)OC[C@@H]3CCCO3)c2c1)[*:1]
Cc1ccc2nc(C3CC3)cc(C(=O)OC[C@@H]3CCCO3)c2c1 C1CO[C@@H](C1)[*:1] Cc1ccc2nc(cc(C(=O)OC[*:1])c2c1)C1CC1
Cc1cc(Cl)cc2sc(N(Cc3ccccn3)C(=O)CN(C)S(C)(=O)=O)nc12 CN(S(C)(=O)=O)[*:1] Cc1cc(Cl)cc2sc(nc12)N(Cc1ccccn1)C(=O)C[*:1]
Cc1cc(Cl)cc2sc(N(Cc3ccccn3)C(=O)CN(C)S(C)(=O)=O)nc12 c1ccc(C[*:1])nc1 Cc1cc(Cl)cc2sc(nc12)N(C(=O)CN(C)S(C)(=O)=O)[*:1]
Cc1cc(Cl)cc2sc(N(Cc3ccccn3)C(=O)CN(C)S(C)(=O)=O)nc12 CN(C[*:1])S(C)(=O)=O Cc1cc(Cl)cc2sc(nc12)N(Cc1ccccn1)C(=O)[*:1]
Cc1cc(Cl)cc2sc(N(Cc3ccccn3)C(=O)CN(C)S(C)(=O)=O)nc12 c1ccc(nc1)[*:1] Cc1cc(Cl)cc2sc(nc12)N(C[*:1])C(=O)CN(C)S(C)(=O)=O
O=C(C[C@H](C[NH+]1CCN(c2ccccn2)CC1)C(=O)[O-])Nc1cccc2ncccc12 O=C([O-])[*:1] O=C(C[C@H](C[NH+]1CCN(CC1)c1ccccn1)[*:1])Nc1cccc2ncccc12
O=C(C[C@H](C[NH+]1CCN(c2ccccn2)CC1)C(=O)[O-])Nc1cccc2ncccc12 c1cc(c2cccnc2c1)[*:1] O=C(C[C@H](C[NH+]1CCN(CC1)c1ccccn1)C(=O)[O-])N[*:1]
O=C(C[C@H](C[NH+]1CCN(c2ccccn2)CC1)C(=O)[O-])Nc1cccc2ncccc12 c1ccc(nc1)[*:1] O=C(C[C@H](C[NH+]1CCN(CC1)[*:1])C(=O)[O-])Nc1cccc2ncccc12
COC(=O)CN(C(=O)c1cc(Cl)ccc1OC(C)C)C1CC1 CC(C)[*:1] COC(=O)CN(C(=O)c1cc(Cl)ccc1O[*:1])C1CC1
COC(=O)CN(C(=O)c1cc(Cl)ccc1OC(C)C)C1CC1 COC(=O)[*:1] CC(C)Oc1ccc(Cl)cc1C(=O)N(C[*:1])C1CC1
COC(=O)CN(C(=O)c1cc(Cl)ccc1OC(C)C)C1CC1 C1CC1[*:1] COC(=O)CN(C(=O)c1cc(Cl)ccc1OC(C)C)[*:1]
COC(=O)CN(C(=O)c1cc(Cl)ccc1OC(C)C)C1CC1 COC(=O)C[*:1] CC(C)Oc1ccc(Cl)cc1C(=O)N(C1CC1)[*:1]
COC(=O)CN(C(=O)c1cc(Cl)ccc1OC(C)C)C1CC1 CC(C)O[*:1] COC(=O)CN(C(=O)c1cc(Cl)ccc1[*:1])C1CC1
N#C/C(=C\c1cc(Br)cs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] N#C/C(=C\c1cc(Br)cs1)C(=O)Nc1ccc(cc1)[*:1]
N#C/C(=C\c1cc(Br)cs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 Brc1csc(c1)[*:1] N#CC(=C[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
Cc1cccc2ncnc(NCc3ccc(-n4ccnc4)nc3)c12 c1cn(cn1)[*:1] Cc1cccc2ncnc(NCc3ccc(nc3)[*:1])c12
O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(F)c1 c1ccc(cc1)[*:1] O=C(NC[*:1])[C@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(F)c1
O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(F)c1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1)[C@H](N(C(=O)c1csnn1)c1cccc(F)c1)[*:1]
O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(F)c1 c1snnc1[*:1] O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)[*:1])c1cccc(F)c1
O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)c1csnn1)[*:1]
O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(F)c1 c1ccc(cc1)C[*:1] O=C(N[*:1])[C@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(F)c1
O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(F)c1 O=C(NCc1ccccc1)[*:1] O=C(c1csnn1)N(c1cccc(F)c1)[C@@H](c1ccccc1)[*:1]
COC(=O)[C@@H](CC(=O)[O-])C1CCCCC1 O=C([O-])[*:1] COC(=O)[C@@H](C[*:1])C1CCCCC1
COC(=O)[C@@H](CC(=O)[O-])C1CCCCC1 O=C([O-])C[*:1] COC(=O)[C@@H](C1CCCCC1)[*:1]
COC(=O)[C@@H](CC(=O)[O-])C1CCCCC1 COC(=O)[*:1] O=C([O-])C[C@@H](C1CCCCC1)[*:1]
CCCn1c(=O)n(CC(=O)NC[C@@H]2CCCO2)c2ccccc21 CCC[*:1] O=C(Cn1c(=O)n(c2ccccc21)[*:1])NC[C@@H]1CCCO1
CCCn1c(=O)n(CC(=O)NC[C@@H]2CCCO2)c2ccccc21 C1CO[C@@H](C1)C[*:1] CCCn1c(=O)n(CC(=O)N[*:1])c2ccccc21
CCCn1c(=O)n(CC(=O)NC[C@@H]2CCCO2)c2ccccc21 C1CO[C@@H](C1)[*:1] CCCn1c(=O)n(CC(=O)NC[*:1])c2ccccc21
N=C1NC(=O)/C(=C/c2cccc(OCc3ccc(Br)cc3)c2)S1 Brc1ccc(cc1)[*:1] N=C1NC(=O)/C(=C/c2cccc(c2)OC[*:1])S1
C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ncc(C)s2)c1 C=C(C)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)Nc1cccc(c1)OC[*:1]
C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ncc(C)s2)c1 C=C(C)CO[*:1] Cc1cnc(s1)[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ncc(C)s2)c1 C=C(C)C[*:1] Cc1cnc(s1)[C@H](C)NC(=O)Nc1cccc(c1)O[*:1]
C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ncc(C)s2)c1 Cc1cnc(s1)[*:1] C=C(C)COc1cccc(c1)NC(=O)N[C@@H](C)[*:1]
O=C([O-])c1ccnc(-c2ccnc(COc3ccccc3)n2)c1 O=C([O-])[*:1] c1ccc(cc1)OCc1nccc(n1)-c1cc(ccn1)[*:1]
O=C([O-])c1ccnc(-c2ccnc(COc3ccccc3)n2)c1 c1ccc(cc1)O[*:1] O=C([O-])c1ccnc(c1)-c1ccnc(C[*:1])n1
O=C([O-])c1ccnc(-c2ccnc(COc3ccccc3)n2)c1 c1ccc(cc1)[*:1] O=C([O-])c1ccnc(c1)-c1ccnc(CO[*:1])n1
CC[C@H]1C(=O)NCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H]1C(=O)NCCN1C(=O)CCNc1ccccc1[*:1]
CC(C)CC[NH+](C)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 CC(C)C[*:1] C[NH+](CC(=O)N1CCN(CC1)C(=O)Nc1ccccc1)C[*:1]
CC(C)CC[NH+](C)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 CC(C)[*:1] C[NH+](CC[*:1])CC(=O)N1CCN(CC1)C(=O)Nc1ccccc1
CC(C)CC[NH+](C)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)CC[NH+](C)CC(=O)N1CCN(CC1)C(=O)N[*:1]
O=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)NCc1ccc(F)cc1 Fc1cccc(c1)[*:1] O=C(CSc1ccc(nn1)NC(=O)[*:1])NCc1ccc(F)cc1
O=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CSc1ccc(nn1)NC(=O)c1cccc(F)c1)N[*:1]
O=C(CSc1ccc(NC(=O)c2cccc(F)c2)nn1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1ccc(nn1)NC(=O)c1cccc(F)c1)NC[*:1]
Cc1nc([C@H](NC(=O)CSc2ccc3c(c2)CCC3)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@H](NC(=O)CSc1ccc2CCCc2c1)[*:1]
Cc1nc([C@H](NC(=O)CSc2ccc3c(c2)CCC3)c2ccccc2)n[nH]1 c1cc2CCCc2cc1[*:1] Cc1nc(n[nH]1)[C@H](NC(=O)CS[*:1])c1ccccc1
Cc1nc([C@H](NC(=O)CSc2ccc3c(c2)CCC3)c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(CSc1ccc2CCCc2c1)N[C@H](c1ccccc1)[*:1]
C=CCn1c(C)nnc1S[C@H](C)C(=O)N[C@H](C)CC C=CC[*:1] CC[C@@H](C)NC(=O)[C@@H](C)Sc1nnc(C)n1[*:1]
C=CCn1c(C)nnc1S[C@H](C)C(=O)N[C@H](C)CC CC[C@@H](C)[*:1] C=CCn1c(C)nnc1S[C@H](C)C(=O)N[*:1]
COC[C@H]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)C1 COC[*:1] O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@@H](C1)[*:1]
O=C1N=C([O-])C[C@@H]1N(C(=O)[C@H]1CCOc2ccccc21)C1CC1 C1CC1[*:1] O=C1N=C([O-])C[C@@H]1N(C(=O)[C@H]1CCOc2ccccc21)[*:1]
COc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C O=C([O-])[*:1] COc1ccc(cc1NC(=O)[C@H]1[C@@H](C1(C)C)[*:1])C(=O)[O-]
COc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C O=C([O-])[*:1] COc1ccc(cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)[*:1]
COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cc1O CC(C)O[*:1] COc1ccc(cc1O)CN(C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cc1O COc1ccc(cc1O)[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)N(C)C[*:1]
COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cc1O CC(C)[*:1] COc1ccc(cc1O)CN(C)C(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCC1(c2ccccc2)CC1 CCc1nn(C)cc1[*:1] O=C(NCC1(CC1)c1ccccc1)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)C(=O)NCC1(CC1)[*:1]
Cn1c(C[C@@](C)(O)c2cccc(Cl)c2)nc2ccccc21 Clc1cccc(c1)[*:1] Cn1c(C[C@@](C)(O)[*:1])nc2ccccc21
C=CCCC[C@@]1(C)CCCCC[NH2+]1 C=CCC[*:1] C[C@@]1(CCCCC[NH2+]1)C[*:1]
C=CCCC[C@@]1(C)CCCCC[NH2+]1 C=CC[*:1] C[C@@]1(CCCCC[NH2+]1)CC[*:1]
Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)ccc1[N+](=O)[O-] Fc1cccc(c1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N(CC[NH+](C)C)C[*:1]
Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)ccc1[N+](=O)[O-] Fc1cccc(c1)C[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N(CC[NH+](C)C)[*:1]
Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCC(O)CC1 c1ccc(cc1)[*:1] O=C(CS[C@H](c1ccc(Cl)cc1)[*:1])N1CCC(O)CC1
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCC(O)CC1 Clc1ccc(cc1)[*:1] O=C(CS[C@H](c1ccccc1)[*:1])N1CCC(O)CC1
CC(C)c1[nH+]ccn1CC1CCN(C(=O)c2cc(-c3ccc(F)c(F)c3)on2)CC1 CC(C)[*:1] O=C(c1cc(on1)-c1ccc(F)c(F)c1)N1CCC(CC1)Cn1cc[nH+]c1[*:1]
CC(C)c1[nH+]ccn1CC1CCN(C(=O)c2cc(-c3ccc(F)c(F)c3)on2)CC1 Fc1ccc(cc1F)[*:1] CC(C)c1[nH+]ccn1CC1CCN(CC1)C(=O)c1cc(on1)[*:1]
CCCCN(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)[C@H](C)CC CCC[*:1] CC[C@@H](C)N(C[*:1])C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O
CCCCN(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)[C@H](C)CC CCCC[*:1] CC[C@@H](C)N(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)[*:1]
CCCCN(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)[C@H](C)CC CC[C@@H](C)[*:1] CCCCN(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)[*:1]
CCOC(=O)NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CCOC(=O)NC(=O)N1CCN(CC1)C(=O)O[*:1]
O=C(C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)N1CCCS1(=O)=O c1ccc(cc1)[*:1] O=C(C1C[C@@H](N(N=1)c1ccccc1)[*:1])N1CCCS1(=O)=O
O=C(C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)N1CCCS1(=O)=O c1ccc(cc1)[*:1] O=C(C1C[C@@H](c2ccccc2)N(N=1)[*:1])N1CCCS1(=O)=O
COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(Br)cc1 c1ccc2oc(nc2c1)[*:1] COc1ccc(cc1NC(=S)NC(=O)c1ccc(Br)cc1)[*:1]
COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1NC(=S)NC(=O)[*:1])-c1nc2ccccc2o1
O=C(NCC1(c2ccccc2)CCC1)N[C@H](CCO)c1cccs1 c1ccc(cc1)[*:1] O=C(NCC1(CCC1)[*:1])N[C@H](CCO)c1cccs1
O=C(NCC1(c2ccccc2)CCC1)N[C@H](CCO)c1cccs1 OCC[*:1] O=C(NCC1(CCC1)c1ccccc1)N[C@H](c1cccs1)[*:1]
O=C(NCC1(c2ccccc2)CCC1)N[C@H](CCO)c1cccs1 c1csc(c1)[*:1] O=C(NCC1(CCC1)c1ccccc1)N[C@H](CCO)[*:1]
Cc1ccccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 O=[N+]([O-])[*:1] Cc1ccccc1OCC(=O)N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[*:1]
Cc1ccccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 Cc1ccccc1O[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]
Cc1ccccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 C1CN(CCO1)[*:1] Cc1ccccc1OCC(=O)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
Cc1ccccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 Cc1ccccc1OC[*:1] O=C(N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-])[*:1]
Cc1ccccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 Cc1ccccc1[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]
Cc1c(C(=O)NCCC(C)C)nnn1-c1cccc2c1CC[NH+](CCO)C2 CC(C)CC[*:1] Cc1c(nnn1-c1cccc2C[NH+](CCO)CCc21)C(=O)N[*:1]
Cc1c(C(=O)NCCC(C)C)nnn1-c1cccc2c1CC[NH+](CCO)C2 CC(C)CCNC(=O)[*:1] Cc1c(nnn1-c1cccc2C[NH+](CCO)CCc21)[*:1]
Cc1c(C(=O)NCCC(C)C)nnn1-c1cccc2c1CC[NH+](CCO)C2 CC(C)[*:1] Cc1c(nnn1-c1cccc2C[NH+](CCO)CCc21)C(=O)NCC[*:1]
Cc1c(C(=O)NCCC(C)C)nnn1-c1cccc2c1CC[NH+](CCO)C2 CC(C)C[*:1] Cc1c(nnn1-c1cccc2C[NH+](CCO)CCc21)C(=O)NC[*:1]
CCCn1c(C)nn(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1=S CCC[*:1] Cc1nn(C[NH+]2CCN(CC2)[C@H](C)C(=O)N2CCCC2)c(=S)n1[*:1]
CCCn1c(C)nn(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1=S O=C(N1CCCC1)[*:1] CCCn1c(C)nn(C[NH+]2CCN(CC2)[C@H](C)[*:1])c1=S
O=C(CCS(=O)(=O)C1CCCC1)Nc1cc(Cl)c(Cl)cn1 C1CCC(C1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1cc(Cl)c(Cl)cn1
[NH3+]CC1([C@]2(O)CCCC[C@H]2c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] [NH3+]CC1(CCOCC1)[C@]1(O)CCCC[C@@H]1[*:1]
Cc1ccc(-n2nc(C)c3nc(CCC(=O)Nc4ccc(F)cc4)c(=O)n(C)c32)cc1 Cc1ccc(cc1)[*:1] Cc1nn(c2c1nc(CCC(=O)Nc1ccc(F)cc1)c(=O)n2C)[*:1]
Cc1ccc(-n2nc(C)c3nc(CCC(=O)Nc4ccc(F)cc4)c(=O)n(C)c32)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc(C)c2nc(CCC(=O)N[*:1])c(=O)n(C)c21
Cc1ccc(-n2nc(C)c3nc(CCC(=O)Nc4ccc(F)cc4)c(=O)n(C)c32)cc1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccc(cc1)-n1nc(C)c2nc(CC[*:1])c(=O)n(C)c21
CNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2C)CC1 CNC(=O)[*:1] Cc1ccccc1NC(=O)C(=O)N1CCC(CC1)[*:1]
CNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2C)CC1 Cc1ccccc1[*:1] CNC(=O)C1CCN(CC1)C(=O)C(=O)N[*:1]
O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NC1CC1 O=C(C[*:1])NC1CC1 O=S(=O)(c1ccc(F)cc1)N1CCc2ccccc2[C@@H]1[*:1]
O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NC1CC1 O=C(NC1CC1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCc2ccccc2[C@@H]1C[*:1]
O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NC1CC1 Fc1ccc(cc1)[*:1] O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)[*:1])NC1CC1
O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)NC1CC1 C1CC1[*:1] O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)N[*:1]
O=C(NC1CCCC1)[C@H]1NC(C2=C[C@H]3N=CC=C3C=C2)=NO1 C1CCC(C1)[*:1] O=C(N[*:1])[C@H]1NC(=NO1)C1C=CC2=CC=N[C@@H]2C=1
COc1ccc([C@H](NCc2cc[nH+]c(N3CCCCC3)c2)C2CC2)cc1 C1CCN(CC1)[*:1] COc1ccc(cc1)[C@H](NCc1cc[nH+]c(c1)[*:1])C1CC1
COc1ccc([C@H](NCc2cc[nH+]c(N3CCCCC3)c2)C2CC2)cc1 COc1ccc(cc1)[*:1] c1cc(cc([nH+]1)N1CCCCC1)CN[C@H](C1CC1)[*:1]
COc1ccc([C@H](NCc2cc[nH+]c(N3CCCCC3)c2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NCc1cc[nH+]c(c1)N1CCCCC1)[*:1]
CN(C)c1c(Cl)cccc1N[C@@H]1CC[NH2+]C1 CN(C)[*:1] Clc1cccc(N[C@@H]2CC[NH2+]C2)c1[*:1]
CC(C)CNC(=O)Cc1ccc(NC(=O)c2cnc3c(c2)NC(=O)CO3)cc1 CC(C)C[*:1] O=C1COc2ncc(cc2N1)C(=O)Nc1ccc(cc1)CC(=O)N[*:1]
CC(C)CNC(=O)Cc1ccc(NC(=O)c2cnc3c(c2)NC(=O)CO3)cc1 CC(C)CNC(=O)[*:1] O=C1COc2ncc(cc2N1)C(=O)Nc1ccc(cc1)C[*:1]
CC(C)CNC(=O)Cc1ccc(NC(=O)c2cnc3c(c2)NC(=O)CO3)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cnc2OCC(=O)Nc2c1)NC[*:1]
CC(C)CNC(=O)Cc1ccc(NC(=O)c2cnc3c(c2)NC(=O)CO3)cc1 CC(C)CNC(=O)C[*:1] O=C1COc2ncc(cc2N1)C(=O)Nc1ccc(cc1)[*:1]
CCCC1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 CCC[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)N1CCC(CC1)[*:1]
CC(C)CC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1
CC(C)CC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 CC(C)CC[*:1] C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[*:1]
CC(C)CC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)[C@@H]1CC[C@H](C[NH3+])O1
Cc1ccccc1-c1cnc(NC(=O)CSCC(F)(F)F)s1 Cc1ccccc1[*:1] O=C(CSCC(F)(F)F)Nc1ncc(s1)[*:1]
Cc1ccccc1-c1cnc(NC(=O)CSCC(F)(F)F)s1 FC(F)(F)CSC[*:1] Cc1ccccc1-c1cnc(NC(=O)[*:1])s1
Cc1ccccc1-c1cnc(NC(=O)CSCC(F)(F)F)s1 FC(F)(F)CS[*:1] Cc1ccccc1-c1cnc(NC(=O)C[*:1])s1
Cc1ccccc1-c1cnc(NC(=O)CSCC(F)(F)F)s1 FC(F)(F)C[*:1] Cc1ccccc1-c1cnc(NC(=O)CS[*:1])s1
Cc1ccccc1-c1cnc(NC(=O)CSCC(F)(F)F)s1 FC(F)(F)[*:1] Cc1ccccc1-c1cnc(NC(=O)CSC[*:1])s1
CC(C)[C@H](C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@H](C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F)[*:1]
CC(C)[C@H](C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F)N1CCOCC1 CC(C)[*:1] C[C@@H]([NH2+]C[C@H](N1CCOCC1)[*:1])c1nc2ccccc2n1C(F)F
CC(C)[C@H](C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F)N1CCOCC1 FC(F)[*:1] CC(C)[C@H](C[NH2+][C@H](C)c1nc2ccccc2n1[*:1])N1CCOCC1
O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1cccc(-n2cnnn2)c1 FC(F)(F)[*:1] O=S(=O)([N-]c1ccccc1OC[*:1])c1cccc(c1)-n1cnnn1
O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1cccc(-n2cnnn2)c1 FC(F)(F)C[*:1] O=S(=O)([N-]c1ccccc1O[*:1])c1cccc(c1)-n1cnnn1
O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1cccc(c1)[*:1]
O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1cccc(-n2cnnn2)c1 FC(F)(F)CO[*:1] O=S(=O)([N-]c1ccccc1[*:1])c1cccc(c1)-n1cnnn1
C=C(OCC)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc1 CCO[*:1] C=C(c1ccc(cc1)NC(=O)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)N1CCC(C)CC1)[*:1]
C=C(OCC)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc1 C=C(OCC)[*:1] CC1CCN(CC1)c1nc2NC(=O)C[C@@H](C(=O)Nc3ccc(cc3)[*:1])c2c(=O)[nH]1
C=C(OCC)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc1 CC1CCN(CC1)[*:1] C=C(OCC)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
C=C(OCC)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc1 C=C(OCC)c1ccc(cc1)[*:1] CC1CCN(CC1)c1nc2NC(=O)C[C@@H](C(=O)N[*:1])c2c(=O)[nH]1
O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NC(=S)Nc1ccc(cc1)CN1CCOCC1)[*:1]
O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cccc(F)c1 C1CN(CCO1)C[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1cccc(F)c1
O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cccc(F)c1 C1CN(CCO1)[*:1] O=C(NC(=S)Nc1ccc(cc1)C[*:1])c1cccc(F)c1
Cn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] Cn1ccc(n1)NC(=O)c1cccc(c1)[*:1]
Cn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 Cn1ccc(n1)[*:1] O=C(N[*:1])c1cccc(c1)[N+](=O)[O-]
CC(C)(COC[C@@H]1CCCO1)C(=O)NN NNC(=O)[*:1] CC(C)(COC[C@@H]1CCCO1)[*:1]
CC(C)(COC[C@@H]1CCCO1)C(=O)NN C1CO[C@@H](C1)[*:1] CC(C)(COC[*:1])C(=O)NN
C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](CO)c1ccc(Cl)c(F)c1 C=CC[C@@H](C)[*:1] C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)[*:1]
C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](CO)c1ccc(Cl)c(F)c1 C=CC[*:1] C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)[C@H](C)[*:1]
COC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 COC(=O)[C@H](C)[*:1] C[C@H](Oc1ccc(cc1)-c1ccccc1)C(=O)N[*:1]
COC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 COC(=O)[*:1] C[C@H](Oc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)[*:1]
COC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
Cc1cccc([C@@](C)(O)C2(C)CC2)c1 CC1(CC1)[*:1] Cc1cccc(c1)[C@@](C)(O)[*:1]
CCc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)cc1 CCc1ccc(cc1)[*:1] COc1cc(=O)n(nc1C(=O)N[*:1])-c1ccc(C)cc1
CCc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)c1nn(c(=O)cc1OC)[*:1]
CN(CCS(C)(=O)=O)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)N[C@@H]1CCC(C)(C)c2ccccc21
CN(CCS(C)(=O)=O)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)N[C@@H]1CCC(C)(C)c2ccccc21
CN(CCS(C)(=O)=O)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 CS(=O)(=O)CC[*:1] CN(C(=O)N[C@@H]1CCC(C)(C)c2ccccc21)[*:1]
CN(C)/C=[NH+]/C(=O)c1cc(C(=O)c2ccc(Cl)cc2)c[nH]1 Clc1ccc(cc1)[*:1] CN(C)/C=[NH+]/C(=O)c1cc(c[nH]1)C(=O)[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccn2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccccn1)SCC(=O)N[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccn2)cc1 Cc1ccccc1NC(=O)[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccccn1)SC[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)Nc1ccccc1C
COc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccn2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1[*:1]
COc1ccc(-c2nc(NC(=O)c3ccc(-n4cccn4)c(F)c3)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1ccc(c(F)c1)-n1cccn1
COc1ccc(-c2nc(NC(=O)c3ccc(-n4cccn4)c(F)c3)sc2C)cc1 c1cnn(c1)[*:1] COc1ccc(cc1)-c1nc(NC(=O)c2ccc(c(F)c2)[*:1])sc1C
Cc1cc(CNC(=O)NCc2cccc(N(C)C)[nH+]2)no1 Cc1cc(C[*:1])no1 CN(C)c1cccc(CNC(=O)N[*:1])[nH+]1
Cc1cc(CNC(=O)NCc2cccc(N(C)C)[nH+]2)no1 CN(C)[*:1] Cc1cc(CNC(=O)NCc2cccc([nH+]2)[*:1])no1
Cc1cc(CNC(=O)NCc2cccc(N(C)C)[nH+]2)no1 Cc1cc(no1)[*:1] CN(C)c1cccc(CNC(=O)NC[*:1])[nH+]1
NN1[C@H](SCC2[NH+]=c3ccccc3=[NH+]2)N=N[C@H]1c1ccco1 c1coc(c1)[*:1] NN1[C@@H](N=N[C@@H]1[*:1])SCC1[NH+]=c2ccccc2=[NH+]1
C[C@H](NC(=O)c1cccs1)C(=O)OC[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] C[C@H](NC(=O)c1cccs1)C(=O)OC[C@@H]1CC(=O)N(C1)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)OC[C@@H]1CC(=O)N(C2CC2)C1 c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)OC[C@@H]1CC(=O)N(C1)C1CC1
COc1cc(NC(=O)[C@@H](C)c2ccsc2)cc(OC)c1 c1cc(cs1)[*:1] COc1cc(cc(c1)OC)NC(=O)[C@@H](C)[*:1]
COCCn1cc(NC(=O)C(C)(C)Cc2cccc(Cl)c2)cn1 COCC[*:1] CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1cnn(c1)[*:1]
COCCn1cc(NC(=O)C(C)(C)Cc2cccc(Cl)c2)cn1 Clc1cccc(c1)[*:1] COCCn1cc(cn1)NC(=O)C(C)(C)C[*:1]
COCCn1cc(NC(=O)C(C)(C)Cc2cccc(Cl)c2)cn1 COC[*:1] CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1cnn(c1)C[*:1]
Cc1ncc(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ncc(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)c(n1)[*:1]
COc1cccc(OS(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 CC(C)O[*:1] COc1cccc(c1)OS(=O)(=O)c1ccc(c(C)c1)[*:1]
COc1cccc(OS(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 CC(C)[*:1] COc1cccc(c1)OS(=O)(=O)c1ccc(O[*:1])c(C)c1
O=c1[nH]c2ccccc2c(=O)n1Cc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=c1[nH]c2ccccc2c(=O)n1Cc1cnn(c1)[*:1]
COc1ccc(C2=NN=C[C@@H]2CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 COc1ccc(cc1)[*:1] C1=NN=C([C@H]1CN1CCC[C@@H](C1)[NH+]1CCCC1)[*:1]
CC(C)CCN(C(=O)c1ccc(N)nn1)C1CCCC1 C1CCC(C1)[*:1] CC(C)CCN(C(=O)c1ccc(N)nn1)[*:1]
CC(C)CCN(C(=O)c1ccc(N)nn1)C1CCCC1 CC(C)CC[*:1] Nc1ccc(nn1)C(=O)N(C1CCCC1)[*:1]
CC(C)CCN(C(=O)c1ccc(N)nn1)C1CCCC1 CC(C)[*:1] Nc1ccc(nn1)C(=O)N(CC[*:1])C1CCCC1
CC(C)CCN(C(=O)c1ccc(N)nn1)C1CCCC1 CC(C)C[*:1] Nc1ccc(nn1)C(=O)N(C[*:1])C1CCCC1
CSCc1ccc(C(=O)N(C)c2ccc(F)c(F)c2)cc1 CSC[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1ccc(F)c(F)c1
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccco2)n2nc(C)nc2N1 O=C(N1CCOCC1)[*:1] CC1Nc2nc(C)nn2[C@H](C=1[*:1])c1ccco1
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccco2)n2nc(C)nc2N1 c1coc(c1)[*:1] CC1Nc2nc(C)nn2[C@@H](C=1C(=O)N1CCOCC1)[*:1]
O=C(CCC1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCC1CCCC1)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
O=C(CCC1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 C1CCC(C1)CC[*:1] O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
O=C(CCC1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 C1CCC(C1)[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1
O=C(CCC1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 C1CCC(C1)C[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1
CNS(=O)(=O)c1cc(C(=O)NCCCn2cc[nH+]c2)ccc1F CNS(=O)(=O)[*:1] O=C(NCCCn1cc[nH+]c1)c1ccc(F)c(c1)[*:1]
CC(C)(C)OC(=O)Oc1ccc(F)c(F)c1 CC(C)(C)[*:1] O=C(Oc1ccc(F)c(F)c1)O[*:1]
O=C1CC[C@@]2(C(=O)[O-])Sc3ccc(Cl)cc3N12 O=C([O-])[*:1] O=C1CC[C@]2(Sc3ccc(Cl)cc3N12)[*:1]
COc1ccc(NC(=O)c2ccccc2OC(C)C)cc1 CC(C)O[*:1] COc1ccc(cc1)NC(=O)c1ccccc1[*:1]
COc1ccc(NC(=O)c2ccccc2OC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)c1ccccc1O[*:1]
C[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC2CC2)C[C@H](C)O1 C1CC1CO[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccc(F)cc1[*:1]
C[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC2CC2)C[C@H](C)O1 C1CC1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccc(F)cc1OC[*:1]
C[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC2CC2)C[C@H](C)O1 C1CC1C[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccc(F)cc1O[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)Nc1cc(Cl)c(O)c(Cl)c1)[*:1]
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCc1nnc(C)n1C Cc1nnc(C[*:1])n1C CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N[*:1]
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCc1nnc(C)n1C CC[C@@H](C)O[*:1] Cc1nnc(CNC(=O)/C=C/c2ccccc2[*:1])n1C
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCc1nnc(C)n1C Cc1nnc(n1C)[*:1] CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NC[*:1]
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCc1nnc(C)n1C CC[C@@H](C)[*:1] Cc1nnc(CNC(=O)/C=C/c2ccccc2O[*:1])n1C
Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 Cc1ccc(cc1[*:1])C(C)C O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(C[*:1])c2ccccc21
Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 C(=C[*:1])c1ccco1 Cc1ccc(cc1CN1C(=O)[C@@](O)(CC(=O)[*:1])c2ccccc21)C(C)C
Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 CC(C)[*:1] Cc1ccc(cc1CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21)[*:1]
Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 c1coc(c1)[*:1] Cc1ccc(cc1CN1C(=O)[C@@](O)(CC(=O)C=C[*:1])c2ccccc21)C(C)C
Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 O=C(/C=C/c1ccco1)[*:1] Cc1ccc(cc1CN1C(=O)[C@@](O)(C[*:1])c2ccccc21)C(C)C
Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2ccccc21 O=C(/C=C/c1ccco1)C[*:1] Cc1ccc(cc1CN1C(=O)[C@@](O)(c2ccccc21)[*:1])C(C)C
CC[C@H]([NH2+]Cc1ccccc1)c1cc(C)ccc1OC c1ccc(cc1)[*:1] CC[C@H]([NH2+]C[*:1])c1cc(C)ccc1OC
Cc1cccc([C@@H](NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc2)c1 Cc1cccc(c1)[*:1] CN(C)S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1cccc([C@@H](NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)N(C)C)[*:1]
CON(C)C(=O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CON(C)C(=O)CN1Cc2ccccc2[C@@H](C1)[*:1]
CON(C)C(=O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 CON(C)C(=O)C[*:1] c1ccc(cc1)[C@H]1CN(Cc2ccccc21)[*:1]
CON(C)C(=O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 CON(C)C(=O)[*:1] c1ccc(cc1)[C@H]1CN(Cc2ccccc21)C[*:1]
Brc1ccc2cc(OCCC3OCCCO3)ccc2c1 C1COC(OC1)[*:1] Brc1ccc2cc(ccc2c1)OCC[*:1]
COc1cccc(OCc2ccccc2)c1C=O c1ccc(cc1)[*:1] COc1cccc(OC[*:1])c1C=O
O=C([O-])CCCc1nc2cc(Br)ccc2o1 O=C([O-])C[*:1] Brc1ccc2oc(CC[*:1])nc2c1
O=C([O-])CCCc1nc2cc(Br)ccc2o1 O=C([O-])CC[*:1] Brc1ccc2oc(C[*:1])nc2c1
O=C([O-])CCCc1nc2cc(Br)ccc2o1 O=C([O-])[*:1] Brc1ccc2oc(CCC[*:1])nc2c1
COc1ccc([C@H]2[C@@H]3C(=Nc4ncnn42)c2cc(C)ccc2O[C@@H]3c2cccc(F)c2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc2O[C@H](c3cccc(F)c3)[C@H]3C(=Nc4ncnn4[C@H]3[*:1])c2c1
COc1ccc([C@H]2[C@@H]3C(=Nc4ncnn42)c2cc(C)ccc2O[C@@H]3c2cccc(F)c2)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)[C@H]1[C@@H]2C(=Nc3ncnn31)c1cc(C)ccc1O[C@H]2[*:1]
NC(=S)N/N=C(\Cc1nc2ccccc2[nH]1)c1ccccc1 c1ccc(cc1)[*:1] NC(=S)NN=C(Cc1nc2ccccc2[nH]1)[*:1]
C=C(C)C[C@@H]1N(Cc2ccccc2)C(=O)[C@@H]2[C@H](C(=O)[O-])[C@@H]3C=C[C@]12O3 c1ccc(cc1)C[*:1] C=C(C)C[C@@H]1N(C(=O)[C@@H]2[C@H](C(=O)[O-])[C@@H]3C=C[C@]12O3)[*:1]
C=C(C)C[C@@H]1N(Cc2ccccc2)C(=O)[C@@H]2[C@H](C(=O)[O-])[C@@H]3C=C[C@]12O3 C=C(C)C[*:1] O=C([O-])[C@@H]1[C@@H]2C=C[C@]3(O2)[C@@H](N(Cc2ccccc2)C(=O)[C@H]13)[*:1]
C=C(C)C[C@@H]1N(Cc2ccccc2)C(=O)[C@@H]2[C@H](C(=O)[O-])[C@@H]3C=C[C@]12O3 O=C([O-])[*:1] C=C(C)C[C@@H]1N(Cc2ccccc2)C(=O)[C@@H]2[C@H]([C@@H]3C=C[C@]12O3)[*:1]
C=C(C)C[C@@H]1N(Cc2ccccc2)C(=O)[C@@H]2[C@H](C(=O)[O-])[C@@H]3C=C[C@]12O3 C=C(C)[*:1] O=C([O-])[C@@H]1[C@@H]2C=C[C@]3(O2)[C@H](C[*:1])N(Cc2ccccc2)C(=O)[C@H]13
C=C(C)C[C@@H]1N(Cc2ccccc2)C(=O)[C@@H]2[C@H](C(=O)[O-])[C@@H]3C=C[C@]12O3 c1ccc(cc1)[*:1] C=C(C)C[C@@H]1N(C[*:1])C(=O)[C@@H]2[C@H](C(=O)[O-])[C@@H]3C=C[C@]12O3
CNC(=O)c1ccc(CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 Fc1ccc(cc1)C[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)c1cc2c(C)nn(c2s1)[*:1]
CNC(=O)c1ccc(CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 CNC(=O)c1ccc(cc1)[*:1] Cc1nn(Cc2ccc(F)cc2)c2sc(cc12)C(=O)N(C)C[*:1]
CNC(=O)c1ccc(CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 Fc1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)c1cc2c(C)nn(C[*:1])c2s1
CNC(=O)c1ccc(CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 CNC(=O)[*:1] Cc1nn(Cc2ccc(F)cc2)c2sc(cc12)C(=O)N(C)Cc1ccc(cc1)[*:1]
CC(C)(C)[C@]1(O)CC(C(F)(F)F)=NN1C(=O)CCCc1ccccc1 CC(C)(C)[*:1] O=C(CCCc1ccccc1)N1N=C(C[C@]1(O)[*:1])C(F)(F)F
CC(C)(C)[C@]1(O)CC(C(F)(F)F)=NN1C(=O)CCCc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(C)[C@]1(O)CC(=NN1C(=O)CC[*:1])C(F)(F)F
CC(C)(C)[C@]1(O)CC(C(F)(F)F)=NN1C(=O)CCCc1ccccc1 c1ccc(cc1)CC[*:1] CC(C)(C)[C@]1(O)CC(=NN1C(=O)C[*:1])C(F)(F)F
CC(C)(C)[C@]1(O)CC(C(F)(F)F)=NN1C(=O)CCCc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@]1(O)CC(=NN1C(=O)CCC[*:1])C(F)(F)F
CC(C)(C)[C@]1(O)CC(C(F)(F)F)=NN1C(=O)CCCc1ccccc1 FC(F)(F)[*:1] CC(C)(C)[C@]1(O)CC(=NN1C(=O)CCCc1ccccc1)[*:1]
O=C(c1cnn(-c2ccccc2)c1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(c1cnn(c1)-c1ccccc1)N1CCC(CC1)O[*:1]
O=C(c1cnn(-c2ccccc2)c1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] O=C(c1cnn(c1)-c1ccccc1)N1CCC(CC1)[*:1]
O=C(c1cnn(-c2ccccc2)c1)N1CCC(OCc2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(c1cnn(c1)[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(c1cnn(-c2ccccc2)c1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1cnn(c1)-c1ccccc1)N1CCC(CC1)OC[*:1]
Cc1nc(C[NH2+][C@H](C)c2ccc(SC(F)F)cc2)c(C)s1 FC(F)S[*:1] Cc1nc(C[NH2+][C@H](C)c2ccc(cc2)[*:1])c(C)s1
Cc1nc(C[NH2+][C@H](C)c2ccc(SC(F)F)cc2)c(C)s1 FC(F)[*:1] Cc1nc(C[NH2+][C@H](C)c2ccc(cc2)S[*:1])c(C)s1
Cc1nc(C[NH2+][C@H](C)c2ccc(SC(F)F)cc2)c(C)s1 Cc1nc(c(C)s1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(cc1)SC(F)F
O=C(/C=C/c1ccccc1F)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O Fc1ccccc1[*:1] O=C(/C=C/c1ccccc1F)NCCN1C(=O)SC(=C[*:1])C1=O
O=C(/C=C/c1ccccc1F)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O Fc1ccccc1[*:1] O=C(C=C[*:1])NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O
O=C(/C=C/c1ccccc1F)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O Fc1ccccc1C=C[*:1] O=C1S/C(=C\c2ccccc2F)C(=O)N1CCNC(=O)[*:1]
C[C@@H]1CC[C@H](C(=O)O[C@H](C)c2ccc(OC(F)(F)F)cc2)O1 FC(F)(F)[*:1] C[C@@H]1CC[C@@H](O1)C(=O)O[C@H](C)c1ccc(cc1)O[*:1]
C[C@@H]1CC[C@H](C(=O)O[C@H](C)c2ccc(OC(F)(F)F)cc2)O1 FC(F)(F)O[*:1] C[C@@H]1CC[C@@H](O1)C(=O)O[C@H](C)c1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)NC[C@H](OC)c2ccc(F)cc2)cc1F CCO[*:1] CO[C@@H](CNC(=O)Nc1ccc(c(F)c1)[*:1])c1ccc(F)cc1
CCOc1ccc(NC(=O)NC[C@H](OC)c2ccc(F)cc2)cc1F Fc1ccc(cc1)[*:1] CCOc1ccc(cc1F)NC(=O)NC[C@H](OC)[*:1]
CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)n2)cc1 FC(F)(F)c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)-c1csc(n1)NC(=O)[C@H]1C[C@@H]1[*:1]
CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)n2)cc1 FC(F)(F)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)-c1csc(n1)NC(=O)[C@H]1C[C@H]1c1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)n2)cc1 CN(C)S(=O)(=O)[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)[*:1])[C@H]1C[C@H]1c1ccc(cc1)C(F)(F)F
COc1ccc(O[C@H](C)C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)[C@@H](C)O[*:1]
COc1ccc(O[C@H](C)C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)O[C@H](C)C(=O)N[C@H]1C[C@H](C)N(C1)[*:1]
CN1CCN(C(=O)c2cnn(-c3ccccc3)c2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)c2cnn(c2)[*:1])[C@H](C1)c1ccccc1
CN1CCN(C(=O)c2cnn(-c3ccccc3)c2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)c2cnn(c2)-c2ccccc2)[C@@H](C1)[*:1]
CCc1ccc(C(=O)N(CCc2cccs2)Cc2ccco2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)C(=O)N(CCc1cccs1)C[*:1]
CCc1ccc(C(=O)N(CCc2cccs2)Cc2ccco2)cc1 c1coc(c1)C[*:1] CCc1ccc(cc1)C(=O)N(CCc1cccs1)[*:1]
CCc1ccc(C(=O)N(CCc2cccs2)Cc2ccco2)cc1 c1csc(c1)C[*:1] CCc1ccc(cc1)C(=O)N(Cc1ccco1)C[*:1]
CCc1ccc(C(=O)N(CCc2cccs2)Cc2ccco2)cc1 CCc1ccc(cc1)[*:1] O=C(N(CCc1cccs1)Cc1ccco1)[*:1]
CCc1ccc(C(=O)N(CCc2cccs2)Cc2ccco2)cc1 c1csc(c1)[*:1] CCc1ccc(cc1)C(=O)N(CC[*:1])Cc1ccco1
CCc1ccc(C(=O)N(CCc2cccs2)Cc2ccco2)cc1 c1csc(c1)CC[*:1] CCc1ccc(cc1)C(=O)N(Cc1ccco1)[*:1]
C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cncc(Br)c2)C1=O Brc1cncc(c1)[*:1] C[C@@]1(NC(=O)N(NC(=O)[*:1])C1=O)c1ccccc1
C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cncc(Br)c2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(NC(=O)c2cncc(Br)c2)C1=O)[*:1]
COc1ccc([C@@H](CO)N(C)C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 COc1ccc(cc1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)N(C)[C@H](CO)[*:1]
CNC(=O)c1ccc(Cl)c(NCC(=O)N2CCNC(=O)C2)c1 CNC(=O)[*:1] O=C1CN(CCN1)C(=O)CNc1cc(ccc1Cl)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])c2cccn2C)c(Br)c1 Cn1cccc1[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)/N=C(\[O-])[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)O[*:1]
CCN(CC)C(=O)C[NH+]1CCc2c(c(C(=O)N3CCc4ccccc4C3)nn2Cc2ccccn2)C1 CCN(CC)C(=O)[*:1] O=C(c1nn(Cc2ccccn2)c2CC[NH+](Cc12)C[*:1])N1CCc2ccccc2C1
CCN(CC)C(=O)C[NH+]1CCc2c(c(C(=O)N3CCc4ccccc4C3)nn2Cc2ccccn2)C1 O=C(N1CCc2ccccc2C1)[*:1] CCN(CC)C(=O)C[NH+]1CCc2c(C1)c(nn2Cc1ccccn1)[*:1]
CCN(CC)C(=O)C[NH+]1CCc2c(c(C(=O)N3CCc4ccccc4C3)nn2Cc2ccccn2)C1 c1ccc(nc1)[*:1] CCN(CC)C(=O)C[NH+]1CCc2c(C1)c(nn2C[*:1])C(=O)N1CCc2ccccc2C1
CCN(CC)C(=O)C[NH+]1CCc2c(c(C(=O)N3CCc4ccccc4C3)nn2Cc2ccccn2)C1 c1ccc(C[*:1])nc1 CCN(CC)C(=O)C[NH+]1CCc2c(C1)c(nn2[*:1])C(=O)N1CCc2ccccc2C1
CC(=O)Nc1ccc(/C=N/c2ccccc2C(=O)[O-])cc1 O=C([O-])[*:1] CC(=O)Nc1ccc(/C=N/c2ccccc2[*:1])cc1
CC(=O)Nc1ccc(/C=N/c2ccccc2C(=O)[O-])cc1 CC(=O)N[*:1] O=C([O-])c1ccccc1/N=C/c1ccc(cc1)[*:1]
COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)c1 Cc1cc2nc(oc2cc1C)[*:1] COc1cccc(c1)C(=O)NC(=S)Nc1cc(ccc1OC)[*:1]
COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)c1 COc1cccc(c1)[*:1] COc1ccc(cc1NC(=S)NC(=O)[*:1])-c1nc2cc(C)c(C)cc2o1
C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)[C@@H](C)n1cccn1 c1cnn(c1)[*:1] C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)[C@@H](C)[*:1]
C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)[C@@H](C)n1cccn1 C[C@@H](n1cccn1)[*:1] C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)[*:1]
Cc1ccc(C)c(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[*:1])N1CCN(CC1)Cc1cc(=O)n2nc(sc2n1)-c1ccc(F)cc1
Cc1ccc(C)c(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)N1CCN(CC1)Cc1cc(=O)n2nc(sc2n1)[*:1]
COc1ncccc1C(=O)Nc1nc(Cc2nc(-c3ccccn3)no2)cs1 c1ccc(nc1)[*:1] COc1ncccc1C(=O)Nc1nc(cs1)Cc1nc(no1)[*:1]
COc1ncccc1C(=O)Nc1nc(Cc2nc(-c3ccccn3)no2)cs1 COc1ncccc1[*:1] O=C(Nc1nc(cs1)Cc1nc(no1)-c1ccccn1)[*:1]
Cc1sc(-n2cccc2)c(C(=O)OC[C@H]2CCCCO2)c1C c1ccn(c1)[*:1] Cc1sc(c(C(=O)OC[C@H]2CCCCO2)c1C)[*:1]
Cc1sc(-n2cccc2)c(C(=O)OC[C@H]2CCCCO2)c1C C1CC[C@@H](OC1)[*:1] Cc1sc(c(C(=O)OC[*:1])c1C)-n1cccc1
Cc1sc(-n2cccc2)c(C(=O)OC[C@H]2CCCCO2)c1C C1CC[C@H](C[*:1])OC1 Cc1sc(c(C(=O)O[*:1])c1C)-n1cccc1
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCCCCC2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C1)[NH+]1CCCCCC1
CCOc1ccc(C(=O)c2ccc(F)cc2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)c1ccc(F)cc1
CCOc1ccc(C(=O)c2ccc(F)cc2)cc1OCC Fc1ccc(cc1)[*:1] CCOc1ccc(cc1OCC)C(=O)[*:1]
CCOc1ccc(C(=O)c2ccc(F)cc2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)c1ccc(F)cc1
CNC(=O)[C@@H](C)CN(C)C(=O)Nc1nnc(CC2CCCC2)s1 C1CCC(C1)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)Nc1nnc(C[*:1])s1
CNC(=O)[C@@H](C)CN(C)C(=O)Nc1nnc(CC2CCCC2)s1 CNC(=O)[*:1] C[C@@H](CN(C)C(=O)Nc1nnc(CC2CCCC2)s1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)Nc1nnc(CC2CCCC2)s1 C1CCC(C1)C[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)Nc1nnc(s1)[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)c1n[nH]c(=O)[nH]1 c1ccc(cc1)[*:1] O=C(N[C@@H](C1CC1)[*:1])c1n[nH]c(=O)[nH]1
O=C(N[C@@H](c1ccccc1)C1CC1)c1n[nH]c(=O)[nH]1 C1CC1[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1n[nH]c(=O)[nH]1
O=C(N[C@@H](c1ccccc1)C1CC1)c1n[nH]c(=O)[nH]1 O=c1[nH]nc([nH]1)[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)[*:1]
[NH3+][C@H](/C=C\c1ccccc1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H](/C=C\c1ccccc1)[*:1]
CNC(=O)C1CCN(C(=O)CN(C)C(C)=O)CC1 CC(=O)N(C)C[*:1] CNC(=O)C1CCN(CC1)C(=O)[*:1]
CNC(=O)C1CCN(C(=O)CN(C)C(C)=O)CC1 CC(=O)N(C)[*:1] CNC(=O)C1CCN(CC1)C(=O)C[*:1]
CNC(=O)C1CCN(C(=O)CN(C)C(C)=O)CC1 CNC(=O)[*:1] CC(=O)N(C)CC(=O)N1CCC(CC1)[*:1]
CC1CCN(C(=O)c2ccccc2NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1[*:1]
CC1CCN(C(=O)c2ccccc2NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])CC1 CC1CCN(CC1)C(=O)[*:1] O=C(NC(=S)Nc1ccccc1[*:1])c1ccccc1[N+](=O)[O-]
CC1CCN(C(=O)c2ccccc2NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=S)NC(=O)[*:1]
O=C(Cn1cccn1)NCc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] O=C(Cn1cccn1)NCc1ccc(cc1)[*:1]
O=C(Cn1cccn1)NCc1ccc(C(=O)N2CCCC2)cc1 c1cnn(c1)[*:1] O=C(C[*:1])NCc1ccc(cc1)C(=O)N1CCCC1
O=C(Cn1cccn1)NCc1ccc(C(=O)N2CCCC2)cc1 c1cnn(c1)C[*:1] O=C(c1ccc(cc1)CNC(=O)[*:1])N1CCCC1
Cc1sc2nc(CSc3nncn3Cc3ccco3)[nH]c(=O)c2c1C c1coc(c1)[*:1] Cc1sc2nc(CSc3nncn3C[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CSc3nncn3Cc3ccco3)[nH]c(=O)c2c1C c1coc(c1)C[*:1] Cc1sc2nc(CSc3nncn3[*:1])[nH]c(=O)c2c1C
CC(=O)N(CCC[N+](C)(C)C)C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C C[N+](C)(C)CC[*:1] CC(=O)N(C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C)C[*:1]
CC(=O)N(CCC[N+](C)(C)C)C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C C[N+](C)(C)[*:1] CC(=O)N(CCC[*:1])C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C
CC(=O)N(CCC[N+](C)(C)C)C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C C[N+](C)(C)CCC[*:1] CC(=O)N(C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C)[*:1]
CC(=O)N(CCC[N+](C)(C)C)C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C C[N+](C)(C)C[*:1] CC(=O)N(CC[*:1])C[C@H]1[C@@H](C)C=C(C)C[C@@H]1C
CCOc1ccccc1CCNC(=O)N1CCCC[C@H]1C CCO[*:1] C[C@@H]1CCCCN1C(=O)NCCc1ccccc1[*:1]
N#Cc1cc(COc2ccc(CC[NH3+])nc2)ccn1 [NH3+]CC[*:1] N#Cc1cc(ccn1)COc1ccc(nc1)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)N1CCC([C@H](C)O)CC1 C[C@H](O)[*:1] Cc1ccccc1O[C@H](C)CNC(=O)N1CCC(CC1)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)N1CCC([C@H](C)O)CC1 Cc1ccccc1[*:1] C[C@H](O)C1CCN(CC1)C(=O)NC[C@@H](C)O[*:1]
Cc1nc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ncccn3)CC2)sc1C c1cnc(nc1)[*:1] Cc1nc(NC(=O)[C@@H](C)NC(=O)N2CCN(CC2)[*:1])sc1C
Cc1nc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ncccn3)CC2)sc1C Cc1nc(sc1C)[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ncccn1)C(=O)N[*:1]
C[C@](O)(CNc1ccc2ccc(F)cc2n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNc1ccc2ccc(F)cc2n1)[*:1]
Cc1nnnn1-c1cccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1 Clc1cccc(c1)C[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)C(=O)N[*:1]
Cc1nnnn1-c1cccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)C(=O)NC[*:1]
Cc1nnnn1-c1cccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1 Cc1nnnn1[*:1] O=C(NCc1cccc(Cl)c1)C(=O)Nc1cccc(c1)[*:1]
O=C(Cn1c(-c2ncccn2)noc1=O)Nc1ccnn1Cc1ccccc1Cl c1cnc(nc1)[*:1] O=C(Cn1c(noc1=O)[*:1])Nc1ccnn1Cc1ccccc1Cl
O=C(Cn1c(-c2ncccn2)noc1=O)Nc1ccnn1Cc1ccccc1Cl Clc1ccccc1C[*:1] O=C(Cn1c(noc1=O)-c1ncccn1)Nc1ccnn1[*:1]
O=C(Cn1c(-c2ncccn2)noc1=O)Nc1ccnn1Cc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cn1c(noc1=O)-c1ncccn1)Nc1ccnn1C[*:1]
Cc1nc(N[C@H]2CCN(CC(F)(F)F)C2=O)c2cc[nH]c2n1 FC(F)(F)C[*:1] Cc1nc(N[C@H]2CCN(C2=O)[*:1])c2cc[nH]c2n1
Cc1nc(N[C@H]2CCN(CC(F)(F)F)C2=O)c2cc[nH]c2n1 FC(F)(F)[*:1] Cc1nc(N[C@H]2CCN(C[*:1])C2=O)c2cc[nH]c2n1
Cc1ccc([C@@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] C1CCC(CC1)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@@H](C)N[C@@H]1CCN(C1=O)[*:1]
Cc1ccc([C@@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@@H](C)N[C@@H]1CCN(C1=O)C1CCCCC1
NC(=[NH2+])[C@@H]1CN(c2cnccn2)CCO1 NC(=[NH2+])[*:1] c1cnc(cn1)N1CCO[C@@H](C1)[*:1]
O=C(NCc1cc2n(n1)CC[NH2+]C2)c1c[nH]nc1C1CCCCC1 C1CCC(CC1)[*:1] O=C(NCc1cc2C[NH2+]CCn2n1)c1c[nH]nc1[*:1]
O=C(CCn1ncc(=O)c2ccccc21)Oc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1ncc(=O)c2ccccc21)Oc1ccccc1[*:1]
O=C([O-])c1cccc(CS(=O)(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C([O-])c1cccc(c1)CS(=O)(=O)NC[*:1]
O=C([O-])c1cccc(CS(=O)(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C([O-])c1cccc(c1)CS(=O)(=O)N[*:1]
O=C([O-])c1cccc(CS(=O)(=O)NCc2ccccc2)c1 O=C([O-])[*:1] O=S(=O)(Cc1cccc(c1)[*:1])NCc1ccccc1
NC(=O)C1CCN(C(=O)[C@@H]2C[C@@H](O)[C@H](O)[C@@H]3NC(=S)N(c4ccc(Cl)cc4)[C@H]23)CC1 NC(=O)[*:1] O=C([C@@H]1C[C@@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(Cl)cc3)[C@H]12)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)[C@@H]2C[C@@H](O)[C@H](O)[C@@H]3NC(=S)N(c4ccc(Cl)cc4)[C@H]23)CC1 Clc1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)[C@@H]1C[C@@H](O)[C@H](O)[C@@H]2NC(=S)N([C@H]12)[*:1]
CN(c1c([N+](=O)[O-])ccc(F)c1F)C1CCC([NH3+])CC1 O=[N+]([O-])[*:1] CN(c1c(ccc(F)c1F)[*:1])C1CCC([NH3+])CC1
Cc1nc2sccc2c(=O)n1NC(=O)CC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] Cc1nc2sccc2c(=O)n1NC(=O)C[*:1]
Cc1nc2sccc2c(=O)n1NC(=O)CC(C1CC1)C1CC1 C1CC1[*:1] Cc1nc2sccc2c(=O)n1NC(=O)CC(C1CC1)[*:1]
CC(C)C[C@H](C)OCCOc1cccc(N)c1 CC(C)[*:1] C[C@@H](C[*:1])OCCOc1cccc(N)c1
CC(C)C[C@H](C)OCCOc1cccc(N)c1 CC(C)C[*:1] C[C@H](OCCOc1cccc(N)c1)[*:1]
CC(C)(C)Oc1ccc(C(N)=[NH2+])cn1 CC(C)(C)[*:1] NC(=[NH2+])c1ccc(nc1)O[*:1]
CC(C)(C)Oc1ccc(C(N)=[NH2+])cn1 NC(=[NH2+])[*:1] CC(C)(C)Oc1ccc(cn1)[*:1]
C[C@H](CO)CSc1ccc(C[NH3+])cc1 C[C@H](CO)[*:1] [NH3+]Cc1ccc(cc1)SC[*:1]
CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)/N=C(/C)[O-])cc2)c1 CCC(=O)N[*:1] C/C([O-])=N/S(=O)(=O)c1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CCCc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[nH]c(C)c1C(C)=O O=[N+]([O-])[*:1] CCCc1c([nH]c(C)c1C(C)=O)C(=O)N1CCc2ccc(cc2C1)[*:1]
CCCc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCCc1c([nH]c(C)c1[*:1])C(=O)N1CCc2ccc(cc2C1)[N+](=O)[O-]
CCCc1c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[nH]c(C)c1C(C)=O CCC[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccc(cc3C2)[N+](=O)[O-])c1[*:1]
COc1ccc([C@H]2CCCN2C(=O)CNC(=O)C(C)(C)C)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)[C@H]1CCCN1C(=O)CNC(=O)[*:1]
COc1ccc([C@H]2CCCN2C(=O)CNC(=O)C(C)(C)C)cc1OC CC(C)(C)C(=O)NC[*:1] COc1ccc(cc1OC)[C@H]1CCCN1C(=O)[*:1]
COc1ccc([C@H]2CCCN2C(=O)CNC(=O)C(C)(C)C)cc1OC CC(C)(C)C(=O)N[*:1] COc1ccc(cc1OC)[C@H]1CCCN1C(=O)C[*:1]
COC(=O)/C=C(\Nc1ccccc1F)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] COC(=O)/C=C(\Nc1ccccc1F)C(=O)NC[*:1]
COC(=O)/C=C(\Nc1ccccc1F)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] COC(=O)/C=C(\Nc1ccccc1F)C(=O)N[*:1]
COC(=O)/C=C(\Nc1ccccc1F)C(=O)NCc1ccccc1 Fc1ccccc1N[*:1] COC(=O)C=C(C(=O)NCc1ccccc1)[*:1]
COC(=O)/C=C(\Nc1ccccc1F)C(=O)NCc1ccccc1 Fc1ccccc1[*:1] COC(=O)/C=C(\N[*:1])C(=O)NCc1ccccc1
COC(=O)/C=C(\Nc1ccccc1F)C(=O)NCc1ccccc1 COC(=O)[*:1] O=C(NCc1ccccc1)C(=C[*:1])Nc1ccccc1F
CCCN(CC#N)C(=O)c1c([O-])c(Cl)cc(Cl)c1Cl CCC[*:1] N#CCN(C(=O)c1c([O-])c(Cl)cc(Cl)c1Cl)[*:1]
CCCN(CC#N)C(=O)c1c([O-])c(Cl)cc(Cl)c1Cl N#CC[*:1] CCCN(C(=O)c1c([O-])c(Cl)cc(Cl)c1Cl)[*:1]
C[NH+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1cccs1 c1ccc(cc1)C[*:1] C[NH+](CC(=O)Nc1ccccc1[*:1])Cc1cccs1
C[NH+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1cccs1 c1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1ccccc1C[*:1])Cc1cccs1
C[NH+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1cccs1 c1csc(c1)[*:1] C[NH+](CC(=O)Nc1ccccc1Cc1ccccc1)C[*:1]
Cc1cnc([C@@H](C)NC(=O)c2ccccc2NCc2cccnc2)s1 c1cncc(c1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)c1ccccc1NC[*:1]
Cc1cnc([C@@H](C)NC(=O)c2ccccc2NCc2cccnc2)s1 c1cncc(c1)CN[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)c1ccccc1[*:1]
Cc1cnc([C@@H](C)NC(=O)c2ccccc2NCc2cccnc2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)c1ccccc1NCc1cccnc1)[*:1]
Cc1cnc([C@@H](C)NC(=O)c2ccccc2NCc2cccnc2)s1 c1cncc(c1)C[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)c1ccccc1N[*:1]
CC(C)Sc1cccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)c1 CC(C)[*:1] O=C(Nc1nnc(o1)-c1cccc(c1)S[*:1])c1ccc(s1)[N+](=O)[O-]
CC(C)Sc1cccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)c1 O=[N+]([O-])c1ccc(s1)[*:1] CC(C)Sc1cccc(c1)-c1nnc(NC(=O)[*:1])o1
CC(C)Sc1cccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)c1 CC(C)S[*:1] O=C(Nc1nnc(o1)-c1cccc(c1)[*:1])c1ccc(s1)[N+](=O)[O-]
CC(C)Sc1cccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)c1 O=[N+]([O-])[*:1] CC(C)Sc1cccc(c1)-c1nnc(NC(=O)c2ccc(s2)[*:1])o1
CN(C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)C1CCOCC1 CC(C)(C)[*:1] CN(C(=O)c1cc2C[C@H](CCc2s1)[*:1])C1CCOCC1
CN(C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)c1cc2C[C@@H](CCc2s1)C(C)(C)C)[*:1]
Cc1noc(CCCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)n1 Cc1noc(C[*:1])n1 O=C(CC[*:1])Nc1cccc(c1)C(=O)N1CCCC1
Cc1noc(CCCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)n1 Cc1noc(CC[*:1])n1 O=C(C[*:1])Nc1cccc(c1)C(=O)N1CCCC1
Cc1noc(CCCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)n1 O=C(N1CCCC1)[*:1] Cc1noc(CCCC(=O)Nc2cccc(c2)[*:1])n1
Cc1noc(CCCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)n1 Cc1noc(n1)[*:1] O=C(CCC[*:1])Nc1cccc(c1)C(=O)N1CCCC1
CC/[NH+]=C(/NCC(=O)N1CCCC1)NCc1ccccc1F Fc1ccccc1[*:1] CC/[NH+]=C(/NCC(=O)N1CCCC1)NC[*:1]
CC/[NH+]=C(/NCC(=O)N1CCCC1)NCc1ccccc1F O=C(N1CCCC1)[*:1] CC/[NH+]=C(\NCc1ccccc1F)NC[*:1]
O=C(NNC(=O)c1ccc(Br)s1)c1ccc2ccccc2n1 Brc1ccc(s1)[*:1] O=C(NNC(=O)[*:1])c1ccc2ccccc2n1
O=C(Nc1nncs1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 c1nnc(s1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc2CCCc2c1
C[NH+]1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1nc2ccccc2nc1C[*:1]
C[NH+]1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCN(CC1)c1nc2ccccc2nc1[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc4c(c3)OCO4)cc2)C1 c1cc2OCOc2cc1[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)CO[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc4c(c3)OCO4)cc2)C1 c1cc2OCOc2cc1O[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1nc(Cl)c(Cl)n1CC(N)=O NC(=O)C[*:1] Cc1nc(Cl)c(Cl)n1[*:1]
Cc1nc(Cl)c(Cl)n1CC(N)=O NC(=O)[*:1] Cc1nc(Cl)c(Cl)n1C[*:1]
CCN(C(=O)CNC(=O)CC(C)(C)C)c1ccc2ccccc2c1 CC(C)(C)C[*:1] CCN(C(=O)CNC(=O)[*:1])c1ccc2ccccc2c1
CCN(C(=O)CNC(=O)CC(C)(C)C)c1ccc2ccccc2c1 CC(C)(C)[*:1] CCN(C(=O)CNC(=O)C[*:1])c1ccc2ccccc2c1
CCN(C(=O)CNC(=O)CC(C)(C)C)c1ccc2ccccc2c1 CC(C)(C)CC(=O)N[*:1] CCN(C(=O)C[*:1])c1ccc2ccccc2c1
Cc1cccc(CC(=O)NCc2ccnc(OC3CCC3)c2)c1 C1CC(C1)O[*:1] Cc1cccc(c1)CC(=O)NCc1ccnc(c1)[*:1]
Cc1cccc(CC(=O)NCc2ccnc(OC3CCC3)c2)c1 C1CC(C1)[*:1] Cc1cccc(c1)CC(=O)NCc1ccnc(c1)O[*:1]
Cc1cccc(CC(=O)NCc2ccnc(OC3CCC3)c2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])NCc1ccnc(c1)OC1CCC1
COc1ccccc1C[S@](=O)[C@H](C)C(=O)NC1CC1 O=C(NC1CC1)[*:1] COc1ccccc1C[S@](=O)[C@H](C)[*:1]
COc1ccccc1C[S@](=O)[C@H](C)C(=O)NC1CC1 C1CC1[*:1] COc1ccccc1C[S@](=O)[C@H](C)C(=O)N[*:1]
C[C@@H](CCCO)NC(=O)N1CC=C(c2cccs2)CC1 OCC[*:1] C[C@@H](C[*:1])NC(=O)N1CC=C(CC1)c1cccs1
C[C@@H](CCCO)NC(=O)N1CC=C(c2cccs2)CC1 OCCC[*:1] C[C@@H](NC(=O)N1CC=C(CC1)c1cccs1)[*:1]
C[C@@H](CCCO)NC(=O)N1CC=C(c2cccs2)CC1 c1csc(c1)[*:1] C[C@@H](CCCO)NC(=O)N1CC=C(CC1)[*:1]
C[C@@H](CCCO)NC(=O)N1CC=C(c2cccs2)CC1 C[C@@H](CCCO)[*:1] O=C(N[*:1])N1CC=C(CC1)c1cccs1
CC(C)Oc1ccc([C@@H](C)NC(=O)N2CCCN(c3nccs3)CC2)cc1 c1csc(n1)[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)NC(=O)N1CCCN(CC1)[*:1]
CC(C)Oc1ccc([C@@H](C)NC(=O)N2CCCN(c3nccs3)CC2)cc1 CC(C)[*:1] C[C@@H](NC(=O)N1CCCN(CC1)c1nccs1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@@H](C)NC(=O)N2CCCN(c3nccs3)CC2)cc1 CC(C)O[*:1] C[C@@H](NC(=O)N1CCCN(CC1)c1nccs1)c1ccc(cc1)[*:1]
CO[C@H](C)C(=O)Nc1cc(C)nn1-c1ccc(Cl)cc1 CO[C@H](C)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ccc(Cl)cc1
Cc1cccc(N2C(=O)/C(=C/N[C@@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c1C Cc1cccc(c1C)[*:1] O=C1/C(=C/N[C@@H]2CCS(=O)(=O)C2)c2ccccc2C(=O)N1[*:1]
Cc1cc(S(=O)(=O)NC[C@@H](C)Oc2ccccc2)ccc1F c1ccc(cc1)[*:1] Cc1cc(ccc1F)S(=O)(=O)NC[C@@H](C)O[*:1]
Cc1cc(S(=O)(=O)NC[C@@H](C)Oc2ccccc2)ccc1F c1ccc(cc1)O[*:1] Cc1cc(ccc1F)S(=O)(=O)NC[C@@H](C)[*:1]
CCC(=O)N1CSC[C@H]1C(=O)NC1CCN(c2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] CCC(=O)N1CSC[C@H]1C(=O)NC1CCN(CC1)[*:1]
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)ncn1 CC(C)(C)[*:1] CN(CC1CCN(CC1)C(=O)O[*:1])c1cc(Cl)ncn1
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)ncn1 Clc1cc(ncn1)[*:1] CN(CC1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
C[C@@H]1CCc2c(sc3nc(CC#N)[nH]c(=O)c23)C1 N#CC[*:1] C[C@@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)[*:1]
CCCN(CC(C)(C)C[NH3+])C(=O)c1cc(=O)[nH]c([O-])n1 CC(C)(C[NH3+])C[*:1] CCCN(C(=O)c1cc(=O)[nH]c([O-])n1)[*:1]
CCCN(CC(C)(C)C[NH3+])C(=O)c1cc(=O)[nH]c([O-])n1 CC(C)(C[NH3+])[*:1] CCCN(C[*:1])C(=O)c1cc(=O)[nH]c([O-])n1
CCCN(CC(C)(C)C[NH3+])C(=O)c1cc(=O)[nH]c([O-])n1 CCC[*:1] CC(C)(C[NH3+])CN(C(=O)c1cc(=O)[nH]c([O-])n1)[*:1]
C[C@H](CCCl)Sc1ncnc2ccsc12 C[C@H](CCCl)[*:1] c1nc(S[*:1])c2sccc2n1
C[C@H](CCCl)Sc1ncnc2ccsc12 ClCC[*:1] C[C@H](Sc1ncnc2ccsc12)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(Cl)(Cl)Cl O=C(N[*:1])C(Cl)(Cl)Cl O=S(=O)(c1ccc(cc1)[*:1])N1CCCCCC1
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)[*:1]
CCOc1ccccc1N/C=C/C(=O)C(C)(C)C CCO[*:1] CC(C)(C)C(=O)/C=C/Nc1ccccc1[*:1]
CCOc1ccccc1N/C=C/C(=O)C(C)(C)C CC(C)(C)[*:1] CCOc1ccccc1N/C=C/C(=O)[*:1]
CCOc1ccccc1N/C=C/C(=O)C(C)(C)C CC(C)(C)C(=O)[*:1] CCOc1ccccc1NC=C[*:1]
CC[C@@H]1CC[C@@](O)([C@@H](C)C#N)C1 C[C@@H](C#N)[*:1] CC[C@@H]1CC[C@@](O)(C1)[*:1]
Cc1cccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)ccc32)c1C Cc1cccc(NC(=O)[*:1])c1C C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[*:1]
Cc1cccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)ccc32)c1C Cc1cccc(c1C)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N[*:1]
Cc1cc(C(=O)CCC(=O)Nc2cnn(CC(C)C)c2)c(C)s1 CC(C)C[*:1] Cc1cc(C(=O)CCC(=O)Nc2cnn(c2)[*:1])c(C)s1
Cc1cc(C(=O)CCC(=O)Nc2cnn(CC(C)C)c2)c(C)s1 CC(C)[*:1] Cc1cc(C(=O)CCC(=O)Nc2cnn(c2)C[*:1])c(C)s1
Cc1cc(C(=O)CCC(=O)Nc2cnn(CC(C)C)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] CC(C)Cn1cc(cn1)NC(=O)CCC(=O)[*:1]
C#CCOc1ccc(NC(=O)C2(C(=O)OCC)CC2)cc1 CCOC(=O)[*:1] C#CCOc1ccc(cc1)NC(=O)C1(CC1)[*:1]
C#CCOc1ccc(NC(=O)C2(C(=O)OCC)CC2)cc1 C#CC[*:1] CCOC(=O)C1(CC1)C(=O)Nc1ccc(cc1)O[*:1]
C#CCOc1ccc(NC(=O)C2(C(=O)OCC)CC2)cc1 C#CCO[*:1] CCOC(=O)C1(CC1)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccc(C#N)c1 COC(=O)[*:1] C[C@H](N[C@@H](c1cccc(C#N)c1)[*:1])c1ccc2CCCCc2c1
COC(=O)[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] COC(=O)[C@@H](N[C@@H](C)c1ccc2CCCCc2c1)[*:1]
COC(=O)[C@@H]1CCCCN1c1ccnc(Cl)n1 COC(=O)[*:1] Clc1nccc(n1)N1CCCC[C@H]1[*:1]
O=C(Cc1nc(CN2CCOC[C@@H]2C2CC2)cs1)Nc1ccccc1 C1CC1[*:1] O=C(Cc1nc(cs1)CN1CCOC[C@H]1[*:1])Nc1ccccc1
O=C(Cc1nc(CN2CCOC[C@@H]2C2CC2)cs1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1nc(cs1)CN1CCOC[C@@H]1C1CC1)N[*:1]
Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1c(C(=O)[O-])cnn1C O=C([O-])[*:1] Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1c(cnn1C)[*:1]
Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1c(C(=O)[O-])cnn1C Clc1ccc(c(Cl)c1)[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)c1c(cnn1C)C(=O)[O-]
Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1c(C(=O)[O-])cnn1C Clc1ccc(C[*:1])c(Cl)c1 Cc1nn(c(C)c1NC(=O)c1c(cnn1C)C(=O)[O-])[*:1]
C=CCCCO[C@@H](C)C(=O)c1cccc(Cl)c1 C=CCC[*:1] C[C@H](OC[*:1])C(=O)c1cccc(Cl)c1
C=CCCCO[C@@H](C)C(=O)c1cccc(Cl)c1 C=CC[*:1] C[C@H](OCC[*:1])C(=O)c1cccc(Cl)c1
C=CCCCO[C@@H](C)C(=O)c1cccc(Cl)c1 C=CCCC[*:1] C[C@H](O[*:1])C(=O)c1cccc(Cl)c1
CC[C@@](C)([NH2+]CC(=O)N[C@]1(C)CCS(=O)(=O)C1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)([NH2+]CC(=O)N[C@]1(C)CCS(=O)(=O)C1)[*:1]
C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CCl)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(NC(=O)CCl)C1=O)[*:1]
COCC[C@@H](C)[NH2+]CCc1ccccc1C COC[*:1] Cc1ccccc1CC[NH2+][C@H](C)C[*:1]
COCC[C@@H](C)[NH2+]CCc1ccccc1C COCC[*:1] Cc1ccccc1CC[NH2+][C@H](C)[*:1]
Cc1occc1-c1cc(NC(=O)NCc2ccncc2)n(CCO)n1 OCC[*:1] Cc1occc1-c1cc(NC(=O)NCc2ccncc2)n(n1)[*:1]
Cc1occc1-c1cc(NC(=O)NCc2ccncc2)n(CCO)n1 Cc1occc1[*:1] O=C(NCc1ccncc1)Nc1cc(nn1CCO)[*:1]
Cc1occc1-c1cc(NC(=O)NCc2ccncc2)n(CCO)n1 c1cc(ccn1)C[*:1] Cc1occc1-c1cc(NC(=O)N[*:1])n(CCO)n1
Cc1occc1-c1cc(NC(=O)NCc2ccncc2)n(CCO)n1 c1cc(ccn1)[*:1] Cc1occc1-c1cc(NC(=O)NC[*:1])n(CCO)n1
C[C@@H](SCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1cccs1 C[C@@H](c1cccs1)[*:1] O=C(CS[*:1])N1CCO[C@H]2CCCC[C@@H]21
C[C@@H](SCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1cccs1 c1csc(c1)[*:1] C[C@@H](SCC(=O)N1CCO[C@H]2CCCC[C@@H]21)[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@H]1SCCc2ccccc21 O=C(N[*:1])C1CC1 Cc1ccc(cc1NC(=O)[C@H]1SCCc2ccccc21)[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@H]1SCCc2ccccc21 C1CC1[*:1] Cc1ccc(cc1NC(=O)[C@H]1SCCc2ccccc21)NC(=O)[*:1]
C[C@H](NC(=O)NC[C@@H]1CC=CCC1)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C[C@H](NC(=O)NC[C@@H]1CC=CCC1)c1cccc(c1)[*:1]
O=C([O-])c1ccccc1C(=O)N1CCCc2ccccc21 O=C([O-])[*:1] O=C(c1ccccc1[*:1])N1CCCc2ccccc21
Cc1cncc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 Cc1cncc(c1)[*:1] C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[*:1])C1
O=C(c1ccnc(OC2CCC2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 C1CC(C1)O[*:1] O=C(c1ccnc(c1)[*:1])N1CCC[C@H](C1)C[NH+]1CCCCCC1
O=C(c1ccnc(OC2CCC2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 C1CC(C1)[*:1] O=C(c1ccnc(c1)O[*:1])N1CCC[C@H](C1)C[NH+]1CCCCCC1
Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O Clc1ccc(c(Cl)c1)[*:1] Cc1ccccc1N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O Cc1ccccc1[*:1] O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(C1)[*:1]
O=Cc1ccc(O[C@H]2CCCN(Cc3ccccc3)C2=O)c(F)c1 c1ccc(cc1)C[*:1] O=Cc1ccc(O[C@H]2CCCN(C2=O)[*:1])c(F)c1
O=Cc1ccc(O[C@H]2CCCN(Cc3ccccc3)C2=O)c(F)c1 c1ccc(cc1)[*:1] O=Cc1ccc(O[C@H]2CCCN(C[*:1])C2=O)c(F)c1
COc1ccncc1NC(=O)C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 COc1ccncc1[*:1] C[NH+](Cc1ccccc1)CC1CCN(CC1)C(=O)C(=O)N[*:1]
COc1ccncc1NC(=O)C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccncc1NC(=O)C(=O)N1CCC(CC1)C[NH+](C)C[*:1]
COc1ccncc1NC(=O)C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccncc1NC(=O)C(=O)N1CCC(CC1)C[NH+](C)[*:1]
CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(C#N)cc(Br)cc23)CC1 CC(C)(C)[*:1] N#Cc1cc(Br)cc2c(n[nH]c12)C1CCN(CC1)C(=O)O[*:1]
Cc1cccnc1CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 Cc1cccnc1C[*:1] CN(C)S(=O)(=O)c1ccc2oc(nc2c1)S[*:1]
Cc1cccnc1CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 CN(C)S(=O)(=O)[*:1] Cc1cccnc1CSc1nc2cc(ccc2o1)[*:1]
Cc1cccnc1CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 Cc1cccnc1[*:1] CN(C)S(=O)(=O)c1ccc2oc(nc2c1)SC[*:1]
CC[C@H]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2cccnc2)C1 c1cncc(c1)[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)CCNS(=O)(=O)[*:1]
CCC[C@@H]1CCC[C@@H](Nn2cccc2)CC1 CCC[*:1] c1ccn(c1)N[C@@H]1CCC[C@H](CC1)[*:1]
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CCC(N)=O)C1=O NC(=O)C[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cccc(C#N)c1
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CCC(N)=O)C1=O NC(=O)CC[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1cccc(C#N)c1
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CCC(N)=O)C1=O NC(=O)[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1cccc(C#N)c1
Cc1cc(C)c(NC(=O)CNC(=O)[C@H](C)NC(=O)c2ccccc2Cl)c(C)c1 Clc1ccccc1[*:1] Cc1cc(C)c(NC(=O)CNC(=O)[C@H](C)NC(=O)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CNC(=O)[C@H](C)NC(=O)c2ccccc2Cl)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC(=O)N[*:1]
C=CCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O C=CC[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1cc(Cl)cc(Cl)c1
C=CCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O C=CCNC(=O)[*:1] CS(=O)(=O)N(C[*:1])c1cc(Cl)cc(Cl)c1
CCc1ccc(C2=C[C@H](C(=O)NC3CCCCCCC3)N=N2)cc1 C1CCCC(CCC1)[*:1] CCc1ccc(cc1)C1=C[C@@H](N=N1)C(=O)N[*:1]
CCc1ccc(C2=C[C@H](C(=O)NC3CCCCCCC3)N=N2)cc1 CCc1ccc(cc1)[*:1] O=C(NC1CCCCCCC1)[C@H]1C=C(N=N1)[*:1]
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CCc1ccc(Cl)cc1Cl O=C([O-])[*:1] O=C(CCc1ccc(Cl)cc1Cl)N1C[C@H](O)C[C@@H]1[*:1]
O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 c1ccc(cc1)[*:1] O=C(NCC[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1Cl
O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 c1ccc(cc1)C[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1Cl
O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 c1ccc(cc1)CC[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1Cl
COC(=O)[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)C[C@@H](C)O1 COC(=O)[*:1] C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)O[C@H](C1)[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)NCC2CC2)CC1 C1CC1C[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)NCC2CC2)CC1 C1CC1[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NC[*:1]
C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 c1ccc(cc1)[*:1] C[C@H](SC[*:1])C(=O)NCc1ccc([nH+]c1)N1CCCC1
C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 c1ccc(cc1)CS[*:1] C[C@H](C(=O)NCc1ccc([nH+]c1)N1CCCC1)[*:1]
C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 C1CCN(C1)[*:1] C[C@H](SCc1ccccc1)C(=O)NCc1ccc([nH+]c1)[*:1]
C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 c1ccc(cc1)C[*:1] C[C@H](S[*:1])C(=O)NCc1ccc([nH+]c1)N1CCCC1
CCCc1nnc2sc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)nn12 CCC[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)-c1nn2c(nnc2s1)[*:1]
CCCc1nnc2sc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)nn12 Cc1cccc(c1)[*:1] CCCc1nnc2sc(nn12)-c1ccc(cc1)NC(=O)[*:1]
CCO[C@H](C)c1nc(CN(C)C(=O)c2cc(C)n(C(C)C)c2C)cs1 CCO[C@H](C)[*:1] Cc1cc(C(=O)N(C)Cc2csc(n2)[*:1])c(C)n1C(C)C
CCO[C@H](C)c1nc(CN(C)C(=O)c2cc(C)n(C(C)C)c2C)cs1 CC(C)[*:1] CCO[C@H](C)c1nc(cs1)CN(C)C(=O)c1cc(C)n(c1C)[*:1]
CCO[C@H](C)c1nc(CN(C)C(=O)c2cc(C)n(C(C)C)c2C)cs1 CCO[*:1] Cc1cc(C(=O)N(C)Cc2csc(n2)[C@@H](C)[*:1])c(C)n1C(C)C
OCc1cnn(-c2ccncc2)c1C(F)(F)F FC(F)(F)[*:1] OCc1cnn(-c2ccncc2)c1[*:1]
CC(C)Cc1nnc(NC(=O)[C@@]2(C)Sc3ccccc3NC2=O)s1 CC(C)[*:1] C[C@@]1(Sc2ccccc2NC1=O)C(=O)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)[C@@]2(C)Sc3ccccc3NC2=O)s1 CC(C)C[*:1] C[C@@]1(Sc2ccccc2NC1=O)C(=O)Nc1nnc(s1)[*:1]
CC(C)CCc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc1 CC(C)C[*:1] C[C@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(cc1)C[*:1]
CC(C)CCc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc1 CC(C)[*:1] C[C@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(cc1)CC[*:1]
CC(C)CCc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc1 CC(C)CC[*:1] C[C@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(CN=C=O)cc1 O=C=N[*:1] COc1ccc(cc1)C[*:1]
COc1ccc(CN=C=O)cc1 O=C=NC[*:1] COc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2C(C)C)c(Cl)c1 CC(C)[*:1] Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2[*:1])c(Cl)c1
CCOc1ccc(CNC(=O)c2ccc(-c3cccnc3)nc2)cc1 CCO[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(nc1)-c1cccnc1
CCOc1ccc(CNC(=O)c2ccc(-c3cccnc3)nc2)cc1 c1cncc(c1)[*:1] CCOc1ccc(cc1)CNC(=O)c1ccc(nc1)[*:1]
CC(C)(C)NC(=O)COc1ncnc2sc3c(c12)CCC3 CC(C)(C)[*:1] O=C(COc1ncnc2sc3CCCc3c12)N[*:1]
CC(C)(C)NC(=O)COc1ncnc2sc3c(c12)CCC3 CC(C)(C)NC(=O)[*:1] c1nc(OC[*:1])c2c3CCCc3sc2n1
CC(C)C[NH+]1CCN([C@H]2CC[C@@](CO)([NH2+]C(C)C)C2)CC1 CC(C)[*:1] CC(C)[NH2+][C@]1(CO)CC[C@@H](C1)N1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN([C@H]2CC[C@@](CO)([NH2+]C(C)C)C2)CC1 CC(C)[*:1] CC(C)C[NH+]1CCN(CC1)[C@H]1CC[C@](CO)(C1)[NH2+][*:1]
CC(C)C[NH+]1CCN([C@H]2CC[C@@](CO)([NH2+]C(C)C)C2)CC1 CC(C)C[*:1] CC(C)[NH2+][C@]1(CO)CC[C@@H](C1)N1CC[NH+](CC1)[*:1]
Cn1cc(NC(=O)CNC(=O)CC2CCCCC2)c(-c2ccccc2)n1 C1CCC(CC1)[*:1] Cn1cc(NC(=O)CNC(=O)C[*:1])c(n1)-c1ccccc1
Cn1cc(NC(=O)CNC(=O)CC2CCCCC2)c(-c2ccccc2)n1 C1CCC(CC1)C[*:1] Cn1cc(NC(=O)CNC(=O)[*:1])c(n1)-c1ccccc1
Cn1cc(NC(=O)CNC(=O)CC2CCCCC2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(NC(=O)CNC(=O)CC2CCCCC2)c(n1)[*:1]
COCc1cccc(NC(=O)NCc2ccnc(OC(C)(C)C)c2)c1 CC(C)(C)O[*:1] COCc1cccc(c1)NC(=O)NCc1ccnc(c1)[*:1]
COCc1cccc(NC(=O)NCc2ccnc(OC(C)(C)C)c2)c1 CC(C)(C)[*:1] COCc1cccc(c1)NC(=O)NCc1ccnc(c1)O[*:1]
COCc1cccc(NC(=O)NCc2ccnc(OC(C)(C)C)c2)c1 COC[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)Nc1cccc(c1)[*:1]
O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N[C@H]1CCCC[C@H]1CO Fc1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)O[*:1])N[C@H]1CCCC[C@H]1CO
O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N[C@H]1CCCC[C@H]1CO Fc1ccc(cc1)O[*:1] O=C(NCc1ccnc(c1)[*:1])N[C@H]1CCCC[C@H]1CO
CCc1ccccc1NC(=O)CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 CCc1ccccc1[*:1] COc1ccc(Cl)cc1N1C[C@H](CC1=O)C(=O)NCC(=O)N[*:1]
CCc1ccccc1NC(=O)CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 COc1ccc(Cl)cc1[*:1] CCc1ccccc1NC(=O)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H](Cl)C(=O)Nc1sc2c(c1C#N)CCC2 C[C@@H](Cl)[*:1] N#Cc1c(NC(=O)[*:1])sc2CCCc21
COc1ccccc1OC1CCN(C(=O)c2cnc(C)nc2)CC1 COc1ccccc1[*:1] Cc1ncc(cn1)C(=O)N1CCC(CC1)O[*:1]
COc1ccccc1OC1CCN(C(=O)c2cnc(C)nc2)CC1 Cc1ncc(cn1)[*:1] COc1ccccc1OC1CCN(CC1)C(=O)[*:1]
O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(OC2CCCC2)c1 C1CCC(C1)[*:1] O=C(CCc1ccc2OCOc2c1)Nc1cccc(c1)O[*:1]
O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(OC2CCCC2)c1 C1CCC(C1)O[*:1] O=C(CCc1ccc2OCOc2c1)Nc1cccc(c1)[*:1]
CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1F CCc1ccccc1[*:1] O=C(N[*:1])c1cc(ccc1F)S(=O)(=O)N1CCC[C@@H](C1)C(=O)[O-]
CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1F O=C([O-])[*:1] CCc1ccccc1NC(=O)c1cc(ccc1F)S(=O)(=O)N1CCC[C@H](C1)[*:1]
C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccs1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)c1nn(c(=O)c2ccccc12)[*:1])c1cccs1
C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)[*:1]
C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccs1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1nn(C[*:1])c(=O)c2ccccc12)c1cccs1
CCN(C(=O)[C@H](C)OC)[C@@H](C)c1ccc(C#N)cc1 CO[C@@H](C)[*:1] CCN(C(=O)[*:1])[C@@H](C)c1ccc(C#N)cc1
CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cn2ccc(C)n2)cc1 CCO[*:1] Cc1ccn(CC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccc(cc2)[*:1])n1
CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cn2ccc(C)n2)cc1 Cc1ccn(C[*:1])n1 CCOc1ccc(cc1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cn2ccc(C)n2)cc1 Cc1ccn(n1)[*:1] CCOc1ccc(cc1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)C[*:1]
CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cn2ccc(C)n2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccn(CC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2[*:1])n1
Clc1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1 Clc1ccc(cc1)[*:1] C(=NNc1ncnc2sc3CCCCc3c12)[*:1]
O=C(c1n[nH]c([O-])n1)N1CCC[C@H]1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1n[nH]c([O-])n1)N1CCC[C@H]1C[C@H](O)[*:1]
CCCCn1nnnc1C[NH2+][C@H]1CCc2nc(C)nn2C1 CCCC[*:1] Cc1nc2CC[C@@H](Cn2n1)[NH2+]Cc1nnnn1[*:1]
CCCCn1nnnc1C[NH2+][C@H]1CCc2nc(C)nn2C1 CCC[*:1] Cc1nc2CC[C@@H](Cn2n1)[NH2+]Cc1nnnn1C[*:1]
CC(=O)NCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 CC(=O)NC[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[*:1]
CC(=O)NCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 CC(=O)NCC[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N[*:1]
CC(=O)NCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 CC(=O)N[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC[*:1]
C[NH2+]C[C@H](C)C(=O)N1CCCCC[C@H]1c1cccn1C Cn1cccc1[*:1] C[NH2+]C[C@H](C)C(=O)N1CCCCC[C@@H]1[*:1]
O=C([C@@H]1COCCO1)[C@@H]1CCOC2(CCSCC2)C1 C1CO[C@@H](CO1)[*:1] O=C([C@@H]1CCOC2(CCSCC2)C1)[*:1]
CC(C)c1nc(CN(C2CC2)[C@H](C)c2ccco2)no1 c1coc(c1)[*:1] CC(C)c1nc(CN(C2CC2)[C@H](C)[*:1])no1
CC(C)c1nc(CN(C2CC2)[C@H](C)c2ccco2)no1 C1CC1[*:1] CC(C)c1nc(CN([C@H](C)c2ccco2)[*:1])no1
CC(C)c1nc(CN(C2CC2)[C@H](C)c2ccco2)no1 CC(C)[*:1] C[C@H](c1ccco1)N(Cc1noc(n1)[*:1])C1CC1
CCc1nn(C)c(OC)c1CNC(=O)N[C@H]1CCN(C(C)C)C1=O CC(C)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N[C@H]1CCN(C1=O)[*:1]
C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1cnn(Cc2ccccc2)c1 CC(C)(c1ccncc1)[*:1] C[C@@H](NC(=O)NC[*:1])c1cnn(c1)Cc1ccccc1
C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1cnn(c1)[*:1]
C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1cnn(c1)C[*:1]
C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1cnn(Cc2ccccc2)c1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)NCC(C)(C)[*:1])c1cnn(c1)Cc1ccccc1
CC[NH2+][C@@H](Cc1nc(-c2ncc[nH]2)no1)C(C)C c1c[nH]c(n1)[*:1] CC[NH2+][C@@H](Cc1nc(no1)[*:1])C(C)C
CC[NH2+][C@@H](Cc1nc(-c2ncc[nH]2)no1)C(C)C CC(C)[*:1] CC[NH2+][C@@H](Cc1nc(no1)-c1ncc[nH]1)[*:1]
C[C@@H](OC(=O)C1CCCC1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)C1CCCC1)C(=O)N[*:1]
C[C@@H](OC(=O)C1CCCC1)C(=O)Nc1ccccc1 C1CCC(C1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1ccccc1
c1ccc2sc(N3CCC[C@@H](c4ccn[nH]4)C3)nc2c1 c1cc([nH]n1)[*:1] c1ccc2sc(nc2c1)N1CCC[C@@H](C1)[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1cnn2c1NCCC2 CC(C)(C)[*:1] NC(=O)C[NH+](Cc1cnn2CCCNc12)[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1cnn2c1NCCC2 NC(=O)[*:1] CC(C)(C)[NH+](Cc1cnn2CCCNc12)C[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1cnn2c1NCCC2 NC(=O)C[*:1] CC(C)(C)[NH+](Cc1cnn2CCCNc12)[*:1]
CCCC[C@H](NC(=O)Cn1nc(C)c2ccccc2c1=O)c1cccnc1 CCC[*:1] Cc1nn(CC(=O)N[C@@H](C[*:1])c2cccnc2)c(=O)c2ccccc12
CCCC[C@H](NC(=O)Cn1nc(C)c2ccccc2c1=O)c1cccnc1 c1cncc(c1)[*:1] CCCC[C@H](NC(=O)Cn1nc(C)c2ccccc2c1=O)[*:1]
CCCC[C@H](NC(=O)Cn1nc(C)c2ccccc2c1=O)c1cccnc1 CCCC[*:1] Cc1nn(CC(=O)N[C@H](c2cccnc2)[*:1])c(=O)c2ccccc12
Nc1nc(COC(=O)c2ccc(NC(=O)C3CC3)cc2)nc2ccccc12 O=C(N[*:1])C1CC1 Nc1nc(COC(=O)c2ccc(cc2)[*:1])nc2ccccc12
Nc1nc(COC(=O)c2ccc(NC(=O)C3CC3)cc2)nc2ccccc12 C1CC1[*:1] Nc1nc(COC(=O)c2ccc(cc2)NC(=O)[*:1])nc2ccccc12
CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)C CC(C)(C)[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)[*:1])C(=O)N(C)C
CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)C CC(C)[*:1] CN(C)C(=O)[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)C CN(C)C(=O)[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)[*:1]
CCC(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 Clc1ccc(cc1Cl)[*:1] CCC(=O)Nc1cccc(c1)C(=O)N[C@@H](C#N)[*:1]
CCC(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 CCC(=O)N[*:1] N#C[C@H](NC(=O)c1cccc(c1)[*:1])c1ccc(Cl)c(Cl)c1
Cc1nc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)sc1C c1coc(c1)C[*:1] Cc1nc(NC(=O)c2ccc(cc2)S(=O)(=O)N[*:1])sc1C
Cc1nc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)sc1C Cc1nc(sc1C)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NCc1ccco1
Cc1nc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)sc1C c1coc(c1)[*:1] Cc1nc(NC(=O)c2ccc(cc2)S(=O)(=O)NC[*:1])sc1C
CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)NC[C@@H]2CCCO2)cc1 CN(C)S(=O)(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NC[C@@H]1CCCO1
CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)N[*:1])cc1
CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)NC[*:1])cc1
O=C(OCC1CC1)c1cccc(NC(=O)c2cccs2)c1 C1CC1[*:1] O=C(OC[*:1])c1cccc(c1)NC(=O)c1cccs1
O=C(OCC1CC1)c1cccc(NC(=O)c2cccs2)c1 C1CC1C[*:1] O=C(O[*:1])c1cccc(c1)NC(=O)c1cccs1
O=C(OCC1CC1)c1cccc(NC(=O)c2cccs2)c1 O=C(OCC1CC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccs1
O=C(OCC1CC1)c1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] O=C(OCC1CC1)c1cccc(c1)NC(=O)[*:1]
Cc1nc(C2(NC(=O)c3ccc4ccc(Cl)cc4n3)CCCC2)no1 Cc1nc(no1)[*:1] O=C(NC1(CCCC1)[*:1])c1ccc2ccc(Cl)cc2n1
O=C(CSc1nnc(-c2ccco2)o1)Nc1nn(Cc2ccccc2)cc1Cl c1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1ccco1)Nc1nn(cc1Cl)C[*:1]
O=C(CSc1nnc(-c2ccco2)o1)Nc1nn(Cc2ccccc2)cc1Cl c1ccc(cc1)C[*:1] O=C(CSc1nnc(o1)-c1ccco1)Nc1nn(cc1Cl)[*:1]
O=C(CSc1nnc(-c2ccco2)o1)Nc1nn(Cc2ccccc2)cc1Cl c1coc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1nn(cc1Cl)Cc1ccccc1
CNC(=O)c1ccc(CSCc2cccc(NC(C)=O)c2)cc1 CNC(=O)[*:1] CC(=O)Nc1cccc(c1)CSCc1ccc(cc1)[*:1]
CNC(=O)c1ccc(CSCc2cccc(NC(C)=O)c2)cc1 CC(=O)N[*:1] CNC(=O)c1ccc(cc1)CSCc1cccc(c1)[*:1]
C#CCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C C#CC[*:1] CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[*:1]
C#CCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C CC(C)[*:1] C#CCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)[*:1]
C#CCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C C#CCNC(=O)[*:1] CC(C)[C@H](NC(=O)c1ccc(F)cc1)[*:1]
CCCOc1ccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c(C)c1 CCCO[*:1] Cc1cc(ccc1NC(=O)N[C@H]1CCCC[C@H]1CO)[*:1]
CCCOc1ccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c(C)c1 CCC[*:1] Cc1cc(ccc1NC(=O)N[C@H]1CCCC[C@H]1CO)O[*:1]
CC(=O)c1ccc(-n2c(C)cn(C[C@H](O)c3ccccc3F)c2=O)cc1 Fc1ccccc1[*:1] CC(=O)c1ccc(cc1)-n1c(C)cn(C[C@H](O)[*:1])c1=O
CC(=O)c1ccc(-n2c(C)cn(C[C@H](O)c3ccccc3F)c2=O)cc1 CC(=O)[*:1] Cc1cn(C[C@H](O)c2ccccc2F)c(=O)n1-c1ccc(cc1)[*:1]
Cc1cccc(N(C)CCC(=O)OC(C)C)c1 CC(C)[*:1] Cc1cccc(c1)N(C)CCC(=O)O[*:1]
NC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]3CCCc4cccc2c43)cc1F NC(=O)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])N[C@@H]1C[C@H]2CCCc3cccc1c32
CCCOc1cccc(N[C@@H]2CC[NH2+]C2)c1 CCC[*:1] c1cc(cc(c1)O[*:1])N[C@@H]1CC[NH2+]C1
CCCOc1cccc(N[C@@H]2CC[NH2+]C2)c1 CCCO[*:1] c1cc(cc(c1)[*:1])N[C@@H]1CC[NH2+]C1
O=C(NCCOC(=O)Nc1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCOC(=O)Nc1ccccc1)N[*:1]
O=C(NCCOC(=O)Nc1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCOC(=O)N[*:1])Nc1ccccc1
C[NH+](C)CC(C)(C)CNC(=O)NCC(=O)[O-] O=C([O-])C[*:1] C[NH+](C)CC(C)(C)CNC(=O)N[*:1]
C[NH+](C)CC(C)(C)CNC(=O)NCC(=O)[O-] O=C([O-])[*:1] C[NH+](C)CC(C)(C)CNC(=O)NC[*:1]
CCOC(=O)Cn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)[*:1] CCOC(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)C[*:1]
CCOC(=O)Cn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)C[*:1] CCOC(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
CCOC(=O)Cn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 CCOC(=O)[*:1] O=C1C[C@@H](CN1Cc1ccccc1)c1nc2ccccc2n1C[*:1]
CCOC(=O)Cn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 CCOC(=O)C[*:1] O=C1C[C@@H](CN1Cc1ccccc1)c1nc2ccccc2n1[*:1]
CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] CN(C(=O)C[*:1])[C@@H](C(=O)Nc1ccc2OCOc2c1)c1ccccc1
CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 c1cc2OCOc2cc1[*:1] CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C(=O)N[*:1])c1ccccc1
CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 c1ccc2c(c[nH]c2c1)C[*:1] CN(C(=O)[*:1])[C@@H](C(=O)Nc1ccc2OCOc2c1)c1ccccc1
CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H](C(=O)Nc1ccc2OCOc2c1)[*:1]
COCCn1c(-c2ccc3ccccc3c2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 c1ccc2cc(ccc2c1)[*:1] COCCn1c(cn2c3c(=O)n(C)c(=O)n(C)c3nc12)[*:1]
COCCn1c(-c2ccc3ccccc3c2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 COC[*:1] Cn1c(=O)c2c(nc3n(C[*:1])c(cn23)-c2ccc3ccccc3c2)n(C)c1=O
COCCn1c(-c2ccc3ccccc3c2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 COCC[*:1] Cn1c(=O)c2c(nc3n(c(cn23)-c2ccc3ccccc3c2)[*:1])n(C)c1=O
Cc1cscc1C(=O)NC1(C(=O)[O-])CCCC1 O=C([O-])[*:1] Cc1cscc1C(=O)NC1(CCCC1)[*:1]
Cn1nncc1CN1CCC[C@H]([NH+]2CCCC2)CC1 Cn1nncc1[*:1] C1C[C@@H](CCN(C1)C[*:1])[NH+]1CCCC1
O=C(c1cc2ccccc2o1)N(Cc1ccsc1)C1CC1 c1cc(cs1)[*:1] O=C(c1cc2ccccc2o1)N(C[*:1])C1CC1
O=C(c1cc2ccccc2o1)N(Cc1ccsc1)C1CC1 C1CC1[*:1] O=C(c1cc2ccccc2o1)N(Cc1ccsc1)[*:1]
O=C(c1cc2ccccc2o1)N(Cc1ccsc1)C1CC1 c1cc(cs1)C[*:1] O=C(c1cc2ccccc2o1)N(C1CC1)[*:1]
COc1cccc([C@H](C)CC(=O)Nc2ccccc2C(=O)N(C)C)c1 COc1cccc(c1)[*:1] C[C@H](CC(=O)Nc1ccccc1C(=O)N(C)C)[*:1]
COc1cccc([C@H](C)CC(=O)Nc2ccccc2C(=O)N(C)C)c1 CN(C)C(=O)[*:1] COc1cccc(c1)[C@H](C)CC(=O)Nc1ccccc1[*:1]
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2ccc(C(N)=O)cc2)c1C NC(=O)[*:1] Cc1cc(cc(c1C)S(=O)(=O)N(C)Cc1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2ccc(C(N)=O)cc2)c1C O=[N+]([O-])[*:1] Cc1cc(cc(c1C)S(=O)(=O)N(C)Cc1ccc(cc1)C(N)=O)[*:1]
CC(C)[C@H](O)[C@H]1CSCCS1 CC(C)[*:1] O[C@H]([C@H]1CSCCS1)[*:1]
CCOc1cc(Br)c(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC CCO[*:1] CCOc1cc(Br)c(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1[*:1]
CCOc1cc(Br)c(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC Fc1ccc(cc1)[*:1] CCOc1cc(Br)c(/C=C2/NC(=O)N(C[*:1])C2=O)cc1OCC
CCOc1cc(Br)c(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC Fc1ccc(cc1)C[*:1] CCOc1cc(Br)c(/C=C2/NC(=O)N(C2=O)[*:1])cc1OCC
CCOc1cc(Br)c(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC CCO[*:1] CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1[*:1]
CCc1csc(NC(=O)CCCn2ccnn2)n1 c1cn(nn1)[*:1] CCc1csc(n1)NC(=O)CCC[*:1]
CCc1csc(NC(=O)CCCn2ccnn2)n1 c1cn(C[*:1])nn1 CCc1csc(n1)NC(=O)CC[*:1]
COc1ccc(F)cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C CC(C)[*:1] COc1ccc(F)cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[*:1]
COc1ccc(F)cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C COc1ccc(F)cc1[*:1] CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1]
COc1ccc(F)cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(F)cc1NC(=O)[C@@H](C[*:1])NC(=O)C(C)C
COc1ccc(F)cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C CC(C)C(=O)N[*:1] COc1ccc(F)cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
Cc1cc(C)n(Cc2cccc(C[NH2+]Cc3ccco3)c2)n1 c1coc(c1)[*:1] Cc1cc(C)n(Cc2cccc(c2)C[NH2+]C[*:1])n1
Cc1cc(C)n(Cc2cccc(C[NH2+]Cc3ccco3)c2)n1 Cc1cc(C)n(n1)[*:1] c1cc(cc(c1)C[*:1])C[NH2+]Cc1ccco1
Cc1cc(C)n(Cc2cccc(C[NH2+]Cc3ccco3)c2)n1 c1coc(c1)C[*:1] Cc1cc(C)n(Cc2cccc(c2)C[NH2+][*:1])n1
COc1ccc(C)cc1NC(=O)[C@@H]1CCC(=O)N1 O=C1CC[C@H](N1)[*:1] COc1ccc(C)cc1NC(=O)[*:1]
O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccc(O)cc2)N1c1ccccc1 Fc1ccc(cc1)[*:1] O=C1c2n[nH]c(c2[C@H](c2ccc(O)cc2)N1c1ccccc1)[*:1]
O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccc(O)cc2)N1c1ccccc1 Oc1ccc(cc1)[*:1] O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](N1c1ccccc1)[*:1]
O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccc(O)cc2)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccc(O)cc2)N1[*:1]
CCNC(=O)CNc1ccc(C)cc1Br CCNC(=O)[*:1] Cc1ccc(NC[*:1])c(Br)c1
CC(=O)Nc1nc(C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)cs1 CC(=O)N[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)c1csc(n1)[*:1]
NC(=O)c1cccc(CN(Cc2cccnc2)C[C@H]2CCCO2)c1 c1cncc(c1)C[*:1] NC(=O)c1cccc(c1)CN(C[C@H]1CCCO1)[*:1]
NC(=O)c1cccc(CN(Cc2cccnc2)C[C@H]2CCCO2)c1 NC(=O)[*:1] c1cncc(c1)CN(Cc1cccc(c1)[*:1])C[C@H]1CCCO1
NC(=O)c1cccc(CN(Cc2cccnc2)C[C@H]2CCCO2)c1 c1cncc(c1)[*:1] NC(=O)c1cccc(c1)CN(C[C@H]1CCCO1)C[*:1]
NC(=O)c1cccc(CN(Cc2cccnc2)C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] NC(=O)c1cccc(c1)CN(Cc1cccnc1)[*:1]
C[C@@H]1Oc2c(cccc2C(=O)NC2(c3ccccc3)CCCC2)NC1=O c1ccc(cc1)[*:1] C[C@@H]1Oc2c(cccc2C(=O)NC2(CCCC2)[*:1])NC1=O
Cc1cc(Br)ccc1C[NH+]1CCN(CCN2C(=O)CCC2=O)CC1 O=C1CCC(=O)N1C[*:1] Cc1cc(Br)ccc1C[NH+]1CCN(CC1)C[*:1]
Cc1cc(Br)ccc1C[NH+]1CCN(CCN2C(=O)CCC2=O)CC1 Cc1cc(Br)ccc1[*:1] O=C1CCC(=O)N1CCN1CC[NH+](CC1)C[*:1]
Cc1cc(Br)ccc1C[NH+]1CCN(CCN2C(=O)CCC2=O)CC1 O=C1CCC(=O)N1[*:1] Cc1cc(Br)ccc1C[NH+]1CCN(CC1)CC[*:1]
CC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cn(C)nc2C)cc1 CC(=O)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)COc1ccc(cc1)[*:1]
CC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cn(C)nc2C)cc1 Cc1nn(C)cc1[*:1] CC(=O)c1ccc(cc1)OCC(=O)N[C@@H](C)[*:1]
Cc1cc(F)ccc1CCNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 Cc1cc(F)ccc1[*:1] C[C@@H]1CN(C(=O)C(=O)NCC[*:1])c2ccccc2O1
C[C@H]1Cc2ccccc2N1S(=O)(=O)CCNC(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H]1Cc2ccccc2N1S(=O)(=O)CCNC(=O)[*:1]
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@@H](C)[C@H]1CCCO1 CC(C)[*:1] C[C@H](OC(=O)[C@@H](NC(=O)c1ccc(F)cc1)[*:1])[C@H]1CCCO1
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@@H](C)[C@H]1CCCO1 Fc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)O[C@@H](C)[C@H]1CCCO1
COc1ccc([C@@H](NC(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)Nc1ccc(cc1)C(N)=O)[*:1]
COc1ccc([C@@H](NC(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 NC(=O)[*:1] COc1ccc(cc1)[C@@H](NC(=O)Nc1ccc(cc1)[*:1])C(C)C
COc1ccc([C@@H](NC(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)Nc1ccc(cc1)C(N)=O)[*:1]
CCOCCN(C)C(=O)[C@H]1CC[C@@H](C)O1 CCOC[*:1] C[C@@H]1CC[C@@H](O1)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)[C@H]1CC[C@@H](C)O1 CCO[*:1] C[C@@H]1CC[C@@H](O1)C(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)[C@H]1CC[C@@H](C)O1 CCOCC[*:1] C[C@@H]1CC[C@@H](O1)C(=O)N(C)[*:1]
Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1C(N)=O c1ccc2sc(nc2c1)[*:1] Cc1ccc(cc1C(N)=O)NC(=O)[C@@H]1CC=CC[C@H]1[*:1]
Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1
C[C@H]1CCN(C(=O)c2sccc2C2CC2)[C@H](C)C1 C1CC1[*:1] C[C@H]1CCN(C(=O)c2sccc2[*:1])[C@H](C)C1
COc1cc(C)ccc1NC(=O)c1cccnc1N1CCOCC1 C1CN(CCO1)[*:1] COc1cc(C)ccc1NC(=O)c1cccnc1[*:1]
Cc1cc(N(C)Cc2ccncc2)c2ccccc2[nH+]1 c1cc(ccn1)[*:1] Cc1cc(c2ccccc2[nH+]1)N(C)C[*:1]
CCOc1ccc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2N)cc1 CCO[*:1] Nc1c(ncnc1Nc1ccc2OCOc2c1)Nc1ccc(cc1)[*:1]
CCOc1ccc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2N)cc1 c1cc2OCOc2cc1[*:1] CCOc1ccc(cc1)Nc1ncnc(N[*:1])c1N
CCOc1ccc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2N)cc1 CCOc1ccc(cc1)[*:1] Nc1c(ncnc1N[*:1])Nc1ccc2OCOc2c1
Cc1cc(C)cc(NC(=O)NCC(C)(C)[C@@H](O)c2ccccc2)c1 O[C@@H](c1ccccc1)[*:1] Cc1cc(C)cc(c1)NC(=O)NCC(C)(C)[*:1]
Cc1cc(C)cc(NC(=O)NCC(C)(C)[C@@H](O)c2ccccc2)c1 Cc1cc(C)cc(c1)[*:1] CC(C)(CNC(=O)N[*:1])[C@@H](O)c1ccccc1
Cc1cc(C)cc(NC(=O)NCC(C)(C)[C@@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)NCC(C)(C)[C@@H](O)[*:1]
CC[C@H](C)[C@H](O)Cc1nc2ccccc2n1CC CC[C@H](C)[*:1] CCn1c(C[C@@H](O)[*:1])nc2ccccc21
O=C1Nc2ccccc2[C@]1(O)C(F)(F)F FC(F)(F)[*:1] O=C1Nc2ccccc2[C@@]1(O)[*:1]
C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nnc(CC)s2)cc1OC C=CCO[*:1] CCc1nnc(s1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(c(c1)OC)[*:1]
C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nnc(CC)s2)cc1OC C=CC[*:1] CCc1nnc(s1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(O[*:1])c(c1)OC
C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nnc(CC)s2)cc1OC CCc1nnc(s1)[*:1] C=CCOc1ccc(cc1OC)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
CO[C@H]1CN(C(=O)c2cn(C(C)C)cc(C(=O)[O-])c2=O)CC[C@H]1[NH3+] O=C([O-])[*:1] CO[C@H]1CN(CC[C@H]1[NH3+])C(=O)c1cn(cc(c1=O)[*:1])C(C)C
CO[C@H]1CN(C(=O)c2cn(C(C)C)cc(C(=O)[O-])c2=O)CC[C@H]1[NH3+] CC(C)[*:1] CO[C@H]1CN(CC[C@H]1[NH3+])C(=O)c1cn(cc(C(=O)[O-])c1=O)[*:1]
C[C@H]1CCC[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)C1 FC(F)(F)[*:1] C[C@H]1CCC[C@H](CNC(=O)N2CCC[C@@H](C2)C(=O)NC[*:1])C1
C[C@H]1CCC[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)C1 O=C(NCC(F)(F)F)[*:1] C[C@H]1CCC[C@H](CNC(=O)N2CCC[C@H](C2)[*:1])C1
C[C@H]1CCC[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)C1 C[C@H]1CCC[C@@H](C1)C[*:1] O=C(NCC(F)(F)F)[C@H]1CCCN(C1)C(=O)N[*:1]
C[C@H]1CCC[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)C1 C[C@H]1CCC[C@H](C1)[*:1] O=C(NCC(F)(F)F)[C@H]1CCCN(C1)C(=O)NC[*:1]
C[C@H]1CCC[C@H](CNC(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)C1 FC(F)(F)C[*:1] C[C@H]1CCC[C@H](CNC(=O)N2CCC[C@@H](C2)C(=O)N[*:1])C1
COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)c1 O=C([O-])c1ccc(cc1)[*:1] COc1ccc(OC)c(/C=C2\SC(=N[*:1])N(C)C2=O)c1
COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)c1 O=C([O-])[*:1] COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc(cc3)[*:1])N(C)C2=O)c1
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1[C@H](C)c1ccncc1 Cc1noc(C)c1CS[*:1] C[C@H](c1ccncc1)n1nccc1NC(=O)c1cccnc1[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1[C@H](C)c1ccncc1 Cc1noc(C)c1[*:1] C[C@H](c1ccncc1)n1nccc1NC(=O)c1cccnc1SC[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1[C@H](C)[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1[C@H](C)c1ccncc1 Cc1noc(C)c1C[*:1] C[C@H](c1ccncc1)n1nccc1NC(=O)c1cccnc1S[*:1]
Cc1cc(NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)c2ncccc2c1 FC(F)(F)[*:1] Cc1cc(NC(=O)N(C)Cc2cn(C)nc2[*:1])c2ncccc2c1
Cc1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N C1CN(CCO1)CC[*:1] Cc1cc(NC[*:1])n2c(nc3ccccc32)c1C#N
Cc1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N C1CN(CCO1)[*:1] Cc1cc(NCCC[*:1])n2c(nc3ccccc32)c1C#N
Cc1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N C1CN(CCO1)C[*:1] Cc1cc(NCC[*:1])n2c(nc3ccccc32)c1C#N
CC(=O)Nc1ccccc1Oc1nc2ccc(N)cc2[nH]1 CC(=O)N[*:1] Nc1ccc2nc([nH]c2c1)Oc1ccccc1[*:1]
CC[C@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1CCCC1(C)C CC(C)[*:1] CC[C@H]1C[NH2+][C@H](CN1[C@@H]1CCCC1(C)C)[*:1]
COC(=O)C[C@H](NC(=O)c1cccc2cc[nH]c12)C1CC1 C1CC1[*:1] COC(=O)C[C@H](NC(=O)c1cccc2cc[nH]c12)[*:1]
COC(=O)C[C@H](NC(=O)c1cccc2cc[nH]c12)C1CC1 COC(=O)C[*:1] O=C(N[C@H](C1CC1)[*:1])c1cccc2cc[nH]c12
COC(=O)C[C@H](NC(=O)c1cccc2cc[nH]c12)C1CC1 COC(=O)[*:1] O=C(N[C@@H](C[*:1])C1CC1)c1cccc2cc[nH]c12
Cc1nn(Cc2c(C(=O)Nc3cccc(C(F)(F)F)c3)noc2C)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(Cc2c(noc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c(C)c1[*:1]
Cc1nn(Cc2c(C(=O)Nc3cccc(C(F)(F)F)c3)noc2C)c(C)c1[N+](=O)[O-] FC(F)(F)[*:1] Cc1nn(Cc2c(noc2C)C(=O)Nc2cccc(c2)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(Cc2c(C(=O)Nc3cccc(C(F)(F)F)c3)noc2C)c(C)c1[N+](=O)[O-] Cc1nn(c(C)c1[N+](=O)[O-])[*:1] Cc1onc(C(=O)Nc2cccc(c2)C(F)(F)F)c1C[*:1]
Cc1nn(Cc2c(C(=O)Nc3cccc(C(F)(F)F)c3)noc2C)c(C)c1[N+](=O)[O-] FC(F)(F)c1cccc(c1)[*:1] Cc1nn(Cc2c(noc2C)C(=O)N[*:1])c(C)c1[N+](=O)[O-]
O=C1CC(c2cccs2)CC(=O)C1=C1N[C@H]2CCCC[C@@H]2N1 c1csc(c1)[*:1] O=C1CC(CC(=O)C1=C1N[C@H]2CCCC[C@@H]2N1)[*:1]
Cc1ccnc(NNC(=O)c2ccnc(C3CC3)n2)c1 C1CC1[*:1] Cc1ccnc(c1)NNC(=O)c1ccnc(n1)[*:1]
COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4cccc(C(C)=O)c4)CC3)n2)cc1 CC(=O)c1cccc(c1)[*:1] COc1ccc(cc1)-c1noc(n1)C1CC[NH+](CC1)CC(=O)N[*:1]
COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4cccc(C(C)=O)c4)CC3)n2)cc1 CC(=O)[*:1] COc1ccc(cc1)-c1noc(n1)C1CC[NH+](CC1)CC(=O)Nc1cccc(c1)[*:1]
COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4cccc(C(C)=O)c4)CC3)n2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)C[NH+]1CCC(CC1)c1nc(no1)[*:1]
CSc1ccc(C[NH2+]Cc2ccc(OC(C)C)cc2)cc1 CC(C)O[*:1] CSc1ccc(cc1)C[NH2+]Cc1ccc(cc1)[*:1]
CSc1ccc(C[NH2+]Cc2ccc(OC(C)C)cc2)cc1 CC(C)[*:1] CSc1ccc(cc1)C[NH2+]Cc1ccc(cc1)O[*:1]
Cc1cc(NC(=O)c2ccccc2SCc2cccs2)ccn1 c1csc(c1)CS[*:1] Cc1cc(ccn1)NC(=O)c1ccccc1[*:1]
Cc1cc(NC(=O)c2ccccc2SCc2cccs2)ccn1 c1csc(c1)C[*:1] Cc1cc(ccn1)NC(=O)c1ccccc1S[*:1]
Cc1cc(NC(=O)c2ccccc2SCc2cccs2)ccn1 c1csc(c1)[*:1] Cc1cc(ccn1)NC(=O)c1ccccc1SC[*:1]
Cc1cc(NC(=O)c2ccccc2SCc2cccs2)ccn1 Cc1cc(ccn1)[*:1] O=C(N[*:1])c1ccccc1SCc1cccs1
CNC(=O)c1ccc(N2CCN(C(C)(C)C[NH3+])CC2)nn1 CC(C)(C[NH3+])[*:1] CNC(=O)c1ccc(nn1)N1CCN(CC1)[*:1]
CNC(=O)c1ccc(N2CCN(C(C)(C)C[NH3+])CC2)nn1 CNC(=O)[*:1] CC(C)(C[NH3+])N1CCN(CC1)c1ccc(nn1)[*:1]
COc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2cnn(C)c2C)c1 Cc1c(cnn1C)[*:1] COc1cccc(c1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C[*:1]
COc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2cnn(C)c2C)c1 Cc1c(cnn1C)C[*:1] COc1cccc(c1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1[*:1]
COc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2cnn(C)c2C)c1 COc1cccc(c1)[*:1] Cc1c(cnn1C)CN1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] Cc1cc(ccc1/N=C/c1cc(ccc1Cl)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] Cc1cc(ccc1/N=C/c1cc(ccc1Cl)[N+](=O)[O-])[*:1]
CCc1c([O-])nc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n(-c2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] CCc1c([O-])nc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n(c1=O)[*:1]
O=C(NC[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CCCc3cccc1c32 C1CC[C@H](OC1)[*:1] O=C(NC[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
O=C(NC[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CCCc3cccc1c32 C1CC[C@@H](C[*:1])OC1 O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)N[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)c1nccnc1-c1nc2ccccc2s1 Cc1c(Cl)cccc1[*:1] O=C(CNC(=O)c1nccnc1-c1nc2ccccc2s1)N[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)c1nccnc1-c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] Cc1c(Cl)cccc1NC(=O)CNC(=O)c1nccnc1[*:1]
O=C(c1ccc(N2CCOC2=O)cc1)N1CCO[C@H](c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] O=C(c1ccc(cc1)N1CCOC1=O)N1CCO[C@H](C1)[*:1]
O=C(c1ccc(N2CCOC2=O)cc1)N1CCO[C@H](c2ccc(Br)cc2)C1 O=C1OCCN1[*:1] O=C(c1ccc(cc1)[*:1])N1CCO[C@@H](C1)c1ccc(Br)cc1
COCCOCCNC(=O)N1CCC[C@H]1c1cccc(C)c1 COCCOCC[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)N[*:1]
COCCOCCNC(=O)N1CCC[C@H]1c1cccc(C)c1 Cc1cccc(c1)[*:1] COCCOCCNC(=O)N1CCC[C@@H]1[*:1]
COCCOCCNC(=O)N1CCC[C@H]1c1cccc(C)c1 COC[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)NCCOC[*:1]
COCCOCCNC(=O)N1CCC[C@H]1c1cccc(C)c1 COCCOC[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)NC[*:1]
COCCOCCNC(=O)N1CCC[C@H]1c1cccc(C)c1 COCCO[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)NCC[*:1]
COCCOCCNC(=O)N1CCC[C@H]1c1cccc(C)c1 COCC[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)NCCO[*:1]
O=C(NCc1ccc(Br)cc1)c1ccc(F)c([N+](=O)[O-])c1 Brc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(F)c(c1)[N+](=O)[O-]
O=C(NCc1ccc(Br)cc1)c1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCc1ccc(Br)cc1)c1ccc(F)c(c1)[*:1]
CN(C)C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 CN(C)C(=O)[*:1] O=C(OC[*:1])c1cccnc1Nc1cccc(c1)C(F)(F)F
CN(C)C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 CN(C)C(=O)C[*:1] O=C(O[*:1])c1cccnc1Nc1cccc(c1)C(F)(F)F
CN(C)C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CN(C)C(=O)COC(=O)c1cccnc1Nc1cccc(c1)[*:1]
COc1ccc2sc(OC3CCN(C(=O)COc4ccccc4)CC3)nc2c1 c1ccc(cc1)O[*:1] COc1ccc2sc(nc2c1)OC1CCN(CC1)C(=O)C[*:1]
COc1ccc2sc(OC3CCN(C(=O)COc4ccccc4)CC3)nc2c1 c1ccc(cc1)[*:1] COc1ccc2sc(nc2c1)OC1CCN(CC1)C(=O)CO[*:1]
COc1ccc2sc(OC3CCN(C(=O)COc4ccccc4)CC3)nc2c1 c1ccc(cc1)OC[*:1] COc1ccc2sc(nc2c1)OC1CCN(CC1)C(=O)[*:1]
Cc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C)CCc3ccccc3)n2)cc1C c1ccc(cc1)CC[*:1] Cc1ccc(cc1C)-c1ccc(=O)n(CC(=O)N[C@H](C)[*:1])n1
Cc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C)CCc3ccccc3)n2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](CCc1ccccc1)NC(=O)Cn1nc(ccc1=O)[*:1]
Cc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C)CCc3ccccc3)n2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)-c1ccc(=O)n(CC(=O)N[C@H](C)C[*:1])n1
Cc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C)CCc3ccccc3)n2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1ccc(=O)n(CC(=O)N[C@H](C)CC[*:1])n1
O=[N+]([O-])c1c(Nc2ncc(C(F)(F)F)cc2Cl)ncnc1N1CCCCCC1 C1CCCN(CC1)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ncc(cc1Cl)C(F)(F)F
O=[N+]([O-])c1c(Nc2ncc(C(F)(F)F)cc2Cl)ncnc1N1CCCCCC1 FC(F)(F)[*:1] O=[N+]([O-])c1c(ncnc1N1CCCCCC1)Nc1ncc(cc1Cl)[*:1]
O=[N+]([O-])c1c(Nc2ncc(C(F)(F)F)cc2Cl)ncnc1N1CCCCCC1 O=[N+]([O-])[*:1] FC(F)(F)c1cnc(Nc2ncnc(c2[*:1])N2CCCCCC2)c(Cl)c1
CN[C@]1(C#N)CC[C@H](SCCS(C)(=O)=O)C1 CS(=O)(=O)[*:1] CN[C@]1(C#N)CC[C@@H](C1)SCC[*:1]
CN[C@]1(C#N)CC[C@H](SCCS(C)(=O)=O)C1 CS(=O)(=O)C[*:1] CN[C@]1(C#N)CC[C@@H](C1)SC[*:1]
CCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ncc(C)s2)cc1OC Cc1cnc(s1)[*:1] CCOc1ccc(cc1OC)[C@@H](C)NC(=O)N[C@@H](C)[*:1]
CCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ncc(C)s2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)N[C@@H](C)c1ncc(C)s1
COC(=O)c1cccc(C(=O)NCCNc2ncc(Cl)cc2Cl)n1 Clc1cnc(c(Cl)c1)[*:1] COC(=O)c1cccc(n1)C(=O)NCCN[*:1]
COC(=O)c1cccc(C(=O)NCCNc2ncc(Cl)cc2Cl)n1 COC(=O)[*:1] O=C(NCCNc1ncc(Cl)cc1Cl)c1cccc(n1)[*:1]
Cn1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc21 CC(C)(C)[*:1] Cn1c(nc2ccccc21)NS(=O)(=O)c1ccc(cc1)[*:1]
CCN(C(=O)C[NH+]1CCC2(CC1)OCCO2)[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)C[NH+]1CCC2(CC1)OCCO2)[C@@H](C)[*:1]
COCCNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 COCCNC(=O)[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)[*:1]
COCCNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 COCC[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)N[*:1]
COCCNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 COC[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)NC[*:1]
CC(C)([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCO2 NC(=O)[*:1] CC(C)([NH2+]Cc1ccc(cc1)[*:1])c1ccc2OCOc2c1
C[C@@H](C(=O)Nc1cccc(OCCn2cccn2)c1)[NH+]1CCCCCC1 c1cnn(c1)CCO[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])[NH+]1CCCCCC1
C[C@@H](C(=O)Nc1cccc(OCCn2cccn2)c1)[NH+]1CCCCCC1 c1cnn(c1)CC[*:1] C[C@@H](C(=O)Nc1cccc(c1)O[*:1])[NH+]1CCCCCC1
C[C@@H](C(=O)Nc1cccc(OCCn2cccn2)c1)[NH+]1CCCCCC1 c1cnn(c1)[*:1] C[C@@H](C(=O)Nc1cccc(c1)OCC[*:1])[NH+]1CCCCCC1
C[C@@H](C(=O)Nc1cccc(OCCn2cccn2)c1)[NH+]1CCCCCC1 c1cnn(c1)C[*:1] C[C@@H](C(=O)Nc1cccc(c1)OC[*:1])[NH+]1CCCCCC1
CC(C)(C)c1csc(CNCC(F)(F)F)n1 FC(F)(F)[*:1] CC(C)(C)c1csc(CNC[*:1])n1
CC(C)(C)c1csc(CNCC(F)(F)F)n1 FC(F)(F)C[*:1] CC(C)(C)c1csc(CN[*:1])n1
CC(C)(C)c1csc(CNCC(F)(F)F)n1 CC(C)(C)[*:1] FC(F)(F)CNCc1nc(cs1)[*:1]
Fc1ccc([C@@H](CC(F)(F)F)N[C@@H]2CCSc3ccccc32)cc1 FC(F)(F)C[*:1] Fc1ccc(cc1)[C@@H](N[C@@H]1CCSc2ccccc21)[*:1]
Fc1ccc([C@@H](CC(F)(F)F)N[C@@H]2CCSc3ccccc32)cc1 Fc1ccc(cc1)[*:1] FC(F)(F)C[C@@H](N[C@@H]1CCSc2ccccc21)[*:1]
Fc1ccc([C@@H](CC(F)(F)F)N[C@@H]2CCSc3ccccc32)cc1 FC(F)(F)[*:1] Fc1ccc(cc1)[C@@H](C[*:1])N[C@@H]1CCSc2ccccc21
C[C@H]1CCOCCN1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCOCCN1C(=O)N[C@H](C[NH+]1CCCC1)[*:1]
CCCNC(=O)CCC(=O)N1CCC[C@@H]1C(=O)N(C)C CN(C)C(=O)[*:1] CCCNC(=O)CCC(=O)N1CCC[C@H]1[*:1]
CCCNC(=O)CCC(=O)N1CCC[C@@H]1C(=O)N(C)C CCCNC(=O)[*:1] CN(C)C(=O)[C@H]1CCCN1C(=O)CC[*:1]
CCCNC(=O)CCC(=O)N1CCC[C@@H]1C(=O)N(C)C CCC[*:1] CN(C)C(=O)[C@H]1CCCN1C(=O)CCC(=O)N[*:1]
CCn1cnnc1CNC(=O)[C@@H](C)Oc1ccc(SC)cc1 CCn1cnnc1[*:1] CSc1ccc(cc1)O[C@H](C)C(=O)NC[*:1]
CC(=O)Nc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Sc1ccc(F)cc1 CC(=O)N[*:1] C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Sc2ccc(F)cc2)c(c1)[*:1]
CC(=O)Nc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Sc1ccc(F)cc1 Fc1ccc(cc1)S[*:1] CC(=O)Nc1cc(ccc1[*:1])C(=O)N[C@@H]1CCCC[C@@H]1C
CC(=O)Nc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Sc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1S[*:1])C(=O)N[C@@H]1CCCC[C@@H]1C
COc1cc(C[NH2+]CCCO)cc(Cl)c1OC OCC[*:1] COc1cc(cc(Cl)c1OC)C[NH2+]C[*:1]
COc1cc(C[NH2+]CCCO)cc(Cl)c1OC OCCC[*:1] COc1cc(cc(Cl)c1OC)C[NH2+][*:1]
Cc1ccc([C@@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H](C1CC1)[*:1]
Cc1ccc([C@@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)[*:1]
CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 CC(=O)N1CCN(CC1)[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccc(cc1)C1CCCCC1
CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 C1CCC(CC1)[*:1] CC(=O)N1CCN(CC1)c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1cc2c(OC(F)F)cccc2[nH]1 CSC[*:1] CC[C@@H](N(C)C(=O)c1cc2c(cccc2[nH]1)OC(F)F)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1cc2c(OC(F)F)cccc2[nH]1 FC(F)O[*:1] CC[C@@H](CSC)N(C)C(=O)c1cc2c(cccc2[nH]1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1cc2c(OC(F)F)cccc2[nH]1 FC(F)[*:1] CC[C@@H](CSC)N(C)C(=O)c1cc2c(cccc2[nH]1)O[*:1]
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1 c1cncc(c1)[*:1] COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)[*:1]
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1 COC(=O)[*:1] O=C(N[C@H](c1cccnc1)[*:1])[C@@H]1C[C@@H]1c1ccccc1
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1[*:1])c1cccnc1
CCc1ccc(CN[C@H](CC)C(=O)Nc2cc(C)on2)s1 Cc1cc(no1)[*:1] CCc1ccc(CN[C@H](CC)C(=O)N[*:1])s1
CCc1ccc(CN[C@H](CC)C(=O)Nc2cc(C)on2)s1 CCc1ccc(s1)[*:1] CC[C@@H](NC[*:1])C(=O)Nc1cc(C)on1
CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 CC[C@H](CO)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)-c1ccc(F)cc1
CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1cccc(C)c1N/C(SCc1ccccc1Cl)=C(/C#N)S(=O)(=O)c1ccccc1 Cc1cccc(C)c1N[*:1] N#C/C(=C(\SCc1ccccc1Cl)[*:1])S(=O)(=O)c1ccccc1
Cc1cccc(C)c1N/C(SCc1ccccc1Cl)=C(/C#N)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1N/C(SCc1ccccc1Cl)=C(/C#N)S(=O)(=O)[*:1]
Cc1cccc(C)c1N/C(SCc1ccccc1Cl)=C(/C#N)S(=O)(=O)c1ccccc1 O=S(=O)(c1ccccc1)[*:1] Cc1cccc(C)c1NC(SCc1ccccc1Cl)=C(C#N)[*:1]
Cc1cccc(C)c1N/C(SCc1ccccc1Cl)=C(/C#N)S(=O)(=O)c1ccccc1 Clc1ccccc1CS[*:1] Cc1cccc(C)c1NC(=C(C#N)S(=O)(=O)c1ccccc1)[*:1]
Cc1cccc(C)c1N/C(SCc1ccccc1Cl)=C(/C#N)S(=O)(=O)c1ccccc1 Clc1ccccc1C[*:1] Cc1cccc(C)c1N/C(S[*:1])=C(/C#N)S(=O)(=O)c1ccccc1
Cc1cccc(C)c1N/C(SCc1ccccc1Cl)=C(/C#N)S(=O)(=O)c1ccccc1 Clc1ccccc1[*:1] Cc1cccc(C)c1N/C(SC[*:1])=C(/C#N)S(=O)(=O)c1ccccc1
Cc1cccc(C)c1N/C(SCc1ccccc1Cl)=C(/C#N)S(=O)(=O)c1ccccc1 Cc1cccc(C)c1[*:1] N#C/C(=C(/N[*:1])SCc1ccccc1Cl)S(=O)(=O)c1ccccc1
O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)[*:1]
O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccccc1Cl C1CC1[*:1] O=C(Nc1ccc2nc(oc2c1)[*:1])c1ccccc1Cl
CC(=O)Nc1ccc2c(CN(C)C[C@@H](C)c3ccccc3)cc(=O)oc2c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)CN(C)C[C@@H](C)[*:1]
CC(=O)Nc1ccc2c(CN(C)C[C@@H](C)c3ccccc3)cc(=O)oc2c1 CC(=O)N[*:1] C[C@H](CN(C)Cc1cc(=O)oc2cc(ccc12)[*:1])c1ccccc1
CC(=O)Nc1ccc2c(CN(C)C[C@@H](C)c3ccccc3)cc(=O)oc2c1 C[C@H](C[*:1])c1ccccc1 CC(=O)Nc1ccc2c(cc(=O)oc2c1)CN(C)[*:1]
CC(=O)Nc1ccc2c(CN(C)C[C@@H](C)c3ccccc3)cc(=O)oc2c1 C[C@@H](c1ccccc1)[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)CN(C)C[*:1]
CC(C)S(=O)(=O)CC(=O)Nc1ccc2c3c(cccc13)CC2 CC(C)[*:1] O=C(CS(=O)(=O)[*:1])Nc1ccc2CCc3cccc1c32
CC(C)S(=O)(=O)CC(=O)Nc1ccc2c3c(cccc13)CC2 CC(C)S(=O)(=O)C[*:1] O=C(Nc1ccc2CCc3cccc1c32)[*:1]
CC(C)S(=O)(=O)CC(=O)Nc1ccc2c3c(cccc13)CC2 CC(C)S(=O)(=O)[*:1] O=C(C[*:1])Nc1ccc2CCc3cccc1c32
O=S(=O)(CCC1CC1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 C1CC1[*:1] O=S(=O)(CC[*:1])N1C[C@@H](O)C[C@@H]1c1cccc(c1)C(F)(F)F
O=S(=O)(CCC1CC1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 C1CC1C[*:1] O=S(=O)(C[*:1])N1C[C@@H](O)C[C@@H]1c1cccc(c1)C(F)(F)F
O=S(=O)(CCC1CC1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 C1CC1CC[*:1] O=S(=O)(N1C[C@@H](O)C[C@@H]1c1cccc(c1)C(F)(F)F)[*:1]
O=S(=O)(CCC1CC1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)(CCC1CC1)N1C[C@@H](O)C[C@@H]1c1cccc(c1)[*:1]
C=CCNC(=O)CN1CCN(c2ncc(C#N)cc2Cl)CC1 C=CC[*:1] N#Cc1cnc(c(Cl)c1)N1CCN(CC1)CC(=O)N[*:1]
C=CCNC(=O)CN1CCN(c2ncc(C#N)cc2Cl)CC1 C=CCNC(=O)C[*:1] N#Cc1cnc(c(Cl)c1)N1CCN(CC1)[*:1]
C=CCNC(=O)CN1CCN(c2ncc(C#N)cc2Cl)CC1 C=CCNC(=O)[*:1] N#Cc1cnc(c(Cl)c1)N1CCN(CC1)C[*:1]
CCCn1cc(NC(=O)c2ccc(C)cc2O)cn1 CCC[*:1] Cc1ccc(C(=O)Nc2cnn(c2)[*:1])c(O)c1
C[NH2+][C@@H](c1csc(C)c1)[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] C[NH2+][C@@H](c1csc(C)c1)[C@@H]1CN(CCO1)[*:1]
C[NH2+][C@@H](c1csc(C)c1)[C@@H]1CN(C(C)C)CCO1 Cc1cc(cs1)[*:1] C[NH2+][C@@H]([C@@H]1CN(CCO1)C(C)C)[*:1]
CC(C)n1c[nH+]c(S(=O)(=O)/N=C(\[O-])c2ccccc2-n2cccn2)c1 c1cnn(c1)[*:1] CC(C)n1c[nH+]c(c1)S(=O)(=O)/N=C(\[O-])c1ccccc1[*:1]
CC(C)n1c[nH+]c(S(=O)(=O)/N=C(\[O-])c2ccccc2-n2cccn2)c1 CC(C)[*:1] O=S(=O)(/N=C(\[O-])c1ccccc1-n1cccn1)c1cn(c[nH+]1)[*:1]
CN(CC(C)(C)C[NH3+])C(=O)c1ccc[nH]1 CC(C)(C[NH3+])[*:1] CN(C[*:1])C(=O)c1ccc[nH]1
CN(CC(C)(C)C[NH3+])C(=O)c1ccc[nH]1 c1c[nH]c(c1)[*:1] CN(CC(C)(C)C[NH3+])C(=O)[*:1]
O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(N2CCCC2=O)cc1 O=C(N1CCOCC1)[*:1] O=C(CN1C[C@@H](Oc2ccccc21)[*:1])Nc1ccc(cc1)N1CCCC1=O
O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(CN1C[C@H](Oc2ccccc21)C(=O)N1CCOCC1)Nc1ccc(cc1)[*:1]
CCC[C@]1(O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]1C COc1ccc(cc1)[*:1] CCC[C@]1(O)C[C@H]([NH2+][C@H]([C@@H]1C)[*:1])c1ccc(cc1)OC
CCC[C@]1(O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]1C CCC[*:1] COc1ccc(cc1)[C@@H]1C[C@@](O)([C@@H](C)[C@H]([NH2+]1)c1ccc(cc1)OC)[*:1]
CCC[C@]1(O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H](c2ccc(OC)cc2)[C@@H]1C COc1ccc(cc1)[*:1] CCC[C@]1(O)C[C@@H]([NH2+][C@H](c2ccc(cc2)OC)[C@@H]1C)[*:1]
CNC(=O)c1cccc(N2CCC(c3c[nH]c4ccccc34)CC2)n1 CNC(=O)[*:1] c1cc(nc(c1)[*:1])N1CCC(CC1)c1c[nH]c2ccccc12
COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2cnn4cccnc24)O3)c1 COC(=O)c1cccc(c1)[*:1] O=C(NC[C@@H]1Cc2cc(cc(Cl)c2O1)[*:1])c1cnn2cccnc12
COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2cnn4cccnc24)O3)c1 c1cnc2c(cnn2c1)[*:1] COC(=O)c1cccc(c1)-c1cc(Cl)c2O[C@H](CNC(=O)[*:1])Cc2c1
COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2cnn4cccnc24)O3)c1 COC(=O)[*:1] O=C(NC[C@@H]1Cc2cc(cc(Cl)c2O1)-c1cccc(c1)[*:1])c1cnn2cccnc12
COC(=O)c1ccc(C)c(NC(=O)NCCCc2[nH]cc[nH+]2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)NCCCc1[nH]cc[nH+]1)[*:1]
CCOCc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 CCO[*:1] O=C(NCc1ccc(cc1)C[*:1])N[C@@H]1CCCC[C@@H]1CO
CCOCc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 CCOC[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@@H]1CCCC[C@@H]1CO
CCSCCC(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC CC[S@](=O)[*:1] CCSCCC(=O)N[C@H]1CCCC[C@H]1[*:1]
CCSCCC(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC CCSC[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)C[*:1]
CCSCCC(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC CCS[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)CC[*:1]
CCSCCC(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC CCSCC[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)[*:1]
O=C(CCCN1C(=O)CCC1=O)Nc1cccc2c1CCCC2 O=C1CCC(=O)N1[*:1] O=C(CCC[*:1])Nc1cccc2CCCCc21
COc1ccccc1CNC(=O)NCc1nc(-c2ccccc2)cs1 COc1ccccc1[*:1] O=C(NCc1nc(cs1)-c1ccccc1)NC[*:1]
COc1ccccc1CNC(=O)NCc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] COc1ccccc1CNC(=O)NCc1nc(cs1)[*:1]
COc1ccc(N(Cc2cccnc2)S(=O)(=O)c2cn(C(F)F)nc2C)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)N(C[*:1])S(=O)(=O)c1cn(nc1C)C(F)F
COc1ccc(N(Cc2cccnc2)S(=O)(=O)c2cn(C(F)F)nc2C)cc1 COc1ccc(cc1)[*:1] Cc1nn(cc1S(=O)(=O)N(Cc1cccnc1)[*:1])C(F)F
COc1ccc(N(Cc2cccnc2)S(=O)(=O)c2cn(C(F)F)nc2C)cc1 FC(F)[*:1] COc1ccc(cc1)N(Cc1cccnc1)S(=O)(=O)c1cn(nc1C)[*:1]
COc1ccc(N(Cc2cccnc2)S(=O)(=O)c2cn(C(F)F)nc2C)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)N(S(=O)(=O)c1cn(nc1C)C(F)F)[*:1]
COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccnc3)C2)cc1 O=C(Nc1cccnc1)[*:1] COC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccnc3)C2)cc1 c1cncc(c1)[*:1] COC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccnc3)C2)cc1 COC(=O)N[*:1] O=C(Nc1cccnc1)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(NC(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)ccc1Br Cc1cc(ccc1Br)[*:1] Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CC(=O)N[*:1]
Cc1cc(NC(=O)Cn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)ccc1Br c1ccc(cc1)[*:1] Cc1cc(ccc1Br)NC(=O)Cn1c(C)c2cnn(c(=O)c2c1C)[*:1]
CCOc1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1 CCO[*:1] C[C@H](c1ccco1)N(C)C(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1 c1coc(c1)[*:1] CCOc1ccc(cc1)C(=O)N(C)[C@H](C)[*:1]
Cc1ccccc1C(=O)N(C)CCc1noc(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1ccccc1C(=O)N(C)CCc1noc(n1)[*:1]
Cc1ccccc1C(=O)N(C)CCc1noc(-c2ccccc2Cl)n1 Cc1ccccc1[*:1] CN(CCc1noc(n1)-c1ccccc1Cl)C(=O)[*:1]
Cc1cscc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 Cc1cscc1[*:1] C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[*:1]
CC(=O)Nc1ccc(NC(=O)COc2ccc(C=O)cc2Cl)cc1 CC(=O)N[*:1] O=Cc1ccc(OCC(=O)Nc2ccc(cc2)[*:1])c(Cl)c1
O=C(NCCN1C(=O)CCC1=O)c1cc2ccccc2s1 O=C1CCC(=O)N1[*:1] O=C(NCC[*:1])c1cc2ccccc2s1
CC(C)(C)c1nc(CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)no1 CC(C)(C)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCCN(CC1)Cc1noc(n1)[*:1]
CC(C)(C)c1nc(CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)no1 CC(C)(C)c1nc(C[*:1])no1 O=S(=O)(c1ccc2OCCOc2c1)N1CCCN(CC1)[*:1]
CC(C)(C)c1nc(CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)no1 CC(C)(C)c1nc(no1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCCN(CC1)C[*:1]
CC(C)(C)c1nc(CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)no1 c1cc2OCCOc2cc1[*:1] CC(C)(C)c1nc(CN2CCCN(CC2)S(=O)(=O)[*:1])no1
c1nc(CC[C@H]2CCCC[NH2+]2)cc(N2CCCOCC2)n1 C1COCCN(C1)[*:1] c1nc(cc(n1)[*:1])CC[C@H]1CCCC[NH2+]1
CC[C@@H](C)C[C@@H](C)NC(=O)NC1(CC(=O)[O-])CCC1 CC[C@@H](C)C[*:1] C[C@@H](NC(=O)NC1(CCC1)CC(=O)[O-])[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)NC1(CC(=O)[O-])CCC1 CC[C@@H](C)[*:1] C[C@H](C[*:1])NC(=O)NC1(CCC1)CC(=O)[O-]
CC[C@@H](C)C[C@@H](C)NC(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])[*:1] CC[C@@H](C)C[C@@H](C)NC(=O)NC1(CCC1)C[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])C[*:1] CC[C@@H](C)C[C@@H](C)NC(=O)NC1(CCC1)[*:1]
C[C@H](O)[C@H](C)n1cc(C=O)nn1 C[C@H](O)[*:1] C[C@H](n1cc(C=O)nn1)[*:1]
O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccc([N+](=O)[O-])cc1 C1CCN(CC1)[*:1] O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1)c1ccc(cc1)[*:1]
O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1c2cccc3c(ccc(C(=O)N1CCOC(=O)[*:1])c23)N1CCCCC1
COc1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)o1 C1CN(CCO1)[*:1] COc1ccc(o1)C(=O)NCc1ccc[nH+]c1[*:1]
COc1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)o1 COc1ccc(o1)[*:1] O=C(NCc1ccc[nH+]c1N1CCOCC1)[*:1]
Cc1ccccc1[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
Cc1ccccc1[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)C(C)C C1CO[C@H](C1)[*:1] Cc1ccccc1[C@@H](NC(=O)c1cnc(s1)[*:1])C(C)C
Cc1ccccc1[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H](NC(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
CN(CCC#N)C(=O)CNC(=O)c1cccs1 N#CC[*:1] CN(C[*:1])C(=O)CNC(=O)c1cccs1
CN(CCC#N)C(=O)CNC(=O)c1cccs1 N#CCC[*:1] CN(C(=O)CNC(=O)c1cccs1)[*:1]
CN(CCC#N)C(=O)CNC(=O)c1cccs1 c1csc(c1)[*:1] CN(CCC#N)C(=O)CNC(=O)[*:1]
O=C(/C=C/C(=O)Oc1ccccc1Cl)Oc1ccccc1Cl Clc1ccccc1[*:1] O=C(/C=C/C(=O)O[*:1])Oc1ccccc1Cl
CC(C)C[C@H](CNC(=O)c1cc2c(F)cccc2[nH]1)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@@H](CNC(=O)c1cc2c(F)cccc2[nH]1)[*:1]
CC(C)C[C@H](CNC(=O)c1cc2c(F)cccc2[nH]1)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cc2c(F)cccc2[nH]1)C[*:1]
CCCn1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)n1 CCCn1ccc(n1)[*:1] O=C(N[*:1])c1cc2c(nn(-c3ccccc3)c2s1)C(F)(F)F
CCCn1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)n1 CCC[*:1] O=C(Nc1ccn(n1)[*:1])c1cc2c(nn(-c3ccccc3)c2s1)C(F)(F)F
CCCn1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)n1 c1ccc(cc1)[*:1] CCCn1ccc(n1)NC(=O)c1cc2c(nn(c2s1)[*:1])C(F)(F)F
CCCn1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)n1 FC(F)(F)[*:1] CCCn1ccc(n1)NC(=O)c1cc2c(nn(-c3ccccc3)c2s1)[*:1]
Cc1cc(NC(=O)Cn2cc(-c3ccnc(N)n3)cn2)n(C2CCCCC2)n1 C1CCC(CC1)[*:1] Cc1cc(NC(=O)Cn2cc(cn2)-c2ccnc(N)n2)n(n1)[*:1]
Cc1cc(NC(=O)Cn2cc(-c3ccnc(N)n3)cn2)n(C2CCCCC2)n1 Nc1nccc(n1)[*:1] Cc1cc(NC(=O)Cn2cc(cn2)[*:1])n(n1)C1CCCCC1
CS(=O)(=O)CCN1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 CS(=O)(=O)CC[*:1] c1ccc(cc1)-c1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
CS(=O)(=O)CCN1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)CCN1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CS(=O)(=O)CCN1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 CS(=O)(=O)[*:1] c1ccc(cc1)-c1ccc(cc1)C[NH+]1CCN(CC1)CC[*:1]
CS(=O)(=O)CCN1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 CS(=O)(=O)C[*:1] c1ccc(cc1)-c1ccc(cc1)C[NH+]1CCN(CC1)C[*:1]
Cc1ccoc1C(=O)N1CCN(CC[NH3+])CC1 [NH3+]CC[*:1] Cc1ccoc1C(=O)N1CCN(CC1)[*:1]
CC(C)[C@H]([NH3+])[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] CC(C)[C@H]([NH3+])[C@@H](C)c1ccc(cc1)[*:1]
CC(C)[C@H]([NH3+])[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 CC(C)[*:1] C[C@@H](c1ccc(cc1)S(=O)(=O)N(C)C)[C@@H]([NH3+])[*:1]
Cc1ccc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1F)S(=O)(=O)NCc1ccc(cc1)[*:1]
CCO/C([O-])=C(\C#N)C(=O)c1ccccc1 CCO[*:1] N#CC(C(=O)c1ccccc1)=C([O-])[*:1]
O=C(COC(=O)c1ccc2ccccc2n1)NC1CC1 O=C(NC1CC1)[*:1] O=C(OC[*:1])c1ccc2ccccc2n1
O=C(COC(=O)c1ccc2ccccc2n1)NC1CC1 C1CC1[*:1] O=C(COC(=O)c1ccc2ccccc2n1)N[*:1]
CCOc1ccc(CNC(=O)N[C@H](C)c2ccc(C)cc2)cc1OC Cc1ccc(cc1)[*:1] CCOc1ccc(cc1OC)CNC(=O)N[C@H](C)[*:1]
CCOc1ccc(CNC(=O)N[C@H](C)c2ccc(C)cc2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CNC(=O)N[C@H](C)c1ccc(C)cc1
N#Cc1ccc(N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1Cl O=C([O-])[*:1] N#Cc1ccc(cc1Cl)N[C@H]1CCCCC[C@@H]1[*:1]
C[NH+]1CCN(c2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)c1ncnc(Nc2ccc(cc2)OC(F)(F)F)c1[*:1]
C[NH+]1CCN(c2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2[N+](=O)[O-])CC1 FC(F)(F)[*:1] C[NH+]1CCN(CC1)c1ncnc(Nc2ccc(cc2)O[*:1])c1[N+](=O)[O-]
C[NH+]1CCN(c2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2[N+](=O)[O-])CC1 FC(F)(F)O[*:1] C[NH+]1CCN(CC1)c1ncnc(Nc2ccc(cc2)[*:1])c1[N+](=O)[O-]
Cc1cc(CSc2nnc(COc3ccc(Cl)cc3)n2-c2ccccc2)no1 Cc1cc(no1)[*:1] Clc1ccc(cc1)OCc1nnc(SC[*:1])n1-c1ccccc1
Cc1cc(CSc2nnc(COc3ccc(Cl)cc3)n2-c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(CSc2nnc(COc3ccc(Cl)cc3)n2[*:1])no1
Cc1cc(CSc2nnc(COc3ccc(Cl)cc3)n2-c2ccccc2)no1 Clc1ccc(cc1)O[*:1] Cc1cc(CSc2nnc(C[*:1])n2-c2ccccc2)no1
Cc1cc(CSc2nnc(COc3ccc(Cl)cc3)n2-c2ccccc2)no1 Clc1ccc(cc1)OC[*:1] Cc1cc(CSc2nnc(n2-c2ccccc2)[*:1])no1
Cc1cc(CSc2nnc(COc3ccc(Cl)cc3)n2-c2ccccc2)no1 Cc1cc(C[*:1])no1 Clc1ccc(cc1)OCc1nnc(S[*:1])n1-c1ccccc1
Cc1cc(CSc2nnc(COc3ccc(Cl)cc3)n2-c2ccccc2)no1 Cc1cc(CS[*:1])no1 Clc1ccc(cc1)OCc1nnc(n1-c1ccccc1)[*:1]
Cc1cc(CSc2nnc(COc3ccc(Cl)cc3)n2-c2ccccc2)no1 Clc1ccc(cc1)[*:1] Cc1cc(CSc2nnc(CO[*:1])n2-c2ccccc2)no1
C[C@H]1C[C@H]([NH+]2CCN(C(=O)c3cccnc3)CC2)CC(C)(C)C1 c1cncc(c1)[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)[NH+]1CCN(CC1)C(=O)[*:1]
CN(Cc1ccc(C#N)cc1)C(=O)NCC1(Sc2ccccc2)CC1 c1ccc(cc1)[*:1] CN(Cc1ccc(C#N)cc1)C(=O)NCC1(CC1)S[*:1]
CN(Cc1ccc(C#N)cc1)C(=O)NCC1(Sc2ccccc2)CC1 c1ccc(cc1)S[*:1] CN(Cc1ccc(C#N)cc1)C(=O)NCC1(CC1)[*:1]
CN(Cc1ccc(C#N)cc1)C(=O)NCC1(Sc2ccccc2)CC1 N#Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)NCC1(CC1)Sc1ccccc1
Cc1cc(-c2nnc(CN3CCCc4c(F)cccc43)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] Fc1cccc2c1CCCN2Cc1nnc(o1)[*:1]
Cc1ccc(Nc2ncnc(N3CC[NH+](C)CC3)c2[N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(Nc2ncnc(c2[*:1])N2CC[NH+](C)CC2)c(C)c1
Cc1ccc(Nc2ncnc(N3CC[NH+](C)CC3)c2[N+](=O)[O-])c(C)c1 Cc1ccc(c(C)c1)[*:1] C[NH+]1CCN(CC1)c1ncnc(N[*:1])c1[N+](=O)[O-]
CC(C)CCOc1ccc(NC(=O)NC[C@H]2CCC[C@H]2O)cc1 CC(C)C[*:1] O=C(NC[C@H]1CCC[C@H]1O)Nc1ccc(cc1)OC[*:1]
CC(C)CCOc1ccc(NC(=O)NC[C@H]2CCC[C@H]2O)cc1 CC(C)CCO[*:1] O=C(NC[C@H]1CCC[C@H]1O)Nc1ccc(cc1)[*:1]
CC(C)CCOc1ccc(NC(=O)NC[C@H]2CCC[C@H]2O)cc1 CC(C)CC[*:1] O=C(NC[C@H]1CCC[C@H]1O)Nc1ccc(cc1)O[*:1]
CC(C)CCOc1ccc(NC(=O)NC[C@H]2CCC[C@H]2O)cc1 CC(C)[*:1] O=C(NC[C@H]1CCC[C@H]1O)Nc1ccc(cc1)OCC[*:1]
Cc1c(Br)ccc(Nc2ccc3c4c(cccc24)C(=O)N(CCO)C3=O)c1C Cc1c(Br)ccc(c1C)[*:1] O=C1c2cccc3c(ccc(C(=O)N1CCO)c23)N[*:1]
Cc1c(Br)ccc(Nc2ccc3c4c(cccc24)C(=O)N(CCO)C3=O)c1C OCC[*:1] Cc1c(Br)ccc(Nc2ccc3C(=O)N(C(=O)c4cccc2c43)[*:1])c1C
C[C@@H](NC(=O)N1CCC(C(=O)c2ccccc2)CC1)[C@H]1CCCO1 O=C(c1ccccc1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)[*:1])[C@H]1CCCO1
C[C@@H](NC(=O)N1CCC(C(=O)c2ccccc2)CC1)[C@H]1CCCO1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)C(=O)[*:1])[C@H]1CCCO1
COCc1cccc(C(=O)N[C@@H](C)[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] COCc1cccc(c1)C(=O)N[C@@H](C)[*:1]
COCc1cccc(C(=O)N[C@@H](C)[C@H]2CCCO2)c1 COC[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])[C@H]1CCCO1
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(N2CCCC2)cc1 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])N/N=C\c1ccc(cc1)N1CCCC1
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(N2CCCC2)cc1 C1CCN(C1)[*:1] O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(cc1)[*:1]
N#C[C@@]1(NC2CC2)CCC[C@H](Oc2ccc(CO)cc2)C1 C1CC1N[*:1] N#C[C@]1(CCC[C@@H](C1)Oc1ccc(cc1)CO)[*:1]
N#C[C@@]1(NC2CC2)CCC[C@H](Oc2ccc(CO)cc2)C1 C1CC1[*:1] N#C[C@]1(CCC[C@@H](C1)Oc1ccc(cc1)CO)N[*:1]
O=C(NCc1nnc2ccccn12)c1cnn(-c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] O=C(NCc1nnc2ccccn12)c1cnn(c1)[*:1]
CC(=O)NCc1cccc(C(F)(F)F)c1 CC(=O)NC[*:1] FC(F)(F)c1cccc(c1)[*:1]
CC(=O)NCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(=O)NCc1cccc(c1)[*:1]
CC(=O)NCc1cccc(C(F)(F)F)c1 CC(=O)N[*:1] FC(F)(F)c1cccc(c1)C[*:1]
Cc1cc(CSc2ncccc2C(=O)Nc2ccc3oc(C)nc3c2)no1 Cc1cc(no1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)c1cccnc1SC[*:1]
Cc1cc(CSc2ncccc2C(=O)Nc2ccc3oc(C)nc3c2)no1 Cc1cc(CS[*:1])no1 Cc1nc2cc(ccc2o1)NC(=O)c1cccnc1[*:1]
Cc1cc(CSc2ncccc2C(=O)Nc2ccc3oc(C)nc3c2)no1 Cc1cc(C[*:1])no1 Cc1nc2cc(ccc2o1)NC(=O)c1cccnc1S[*:1]
CCOC(=O)C1=C(N)[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H](Nc2ccccc2)S1 c1ccc(cc1)[*:1] CCOC(=O)C1S[C@@H](N[*:1])[C@H](C=1N)C1[NH+]=c2ccccc2=[NH+]1
CCOC(=O)C1=C(N)[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H](Nc2ccccc2)S1 c1ccc(cc1)N[*:1] CCOC(=O)C1S[C@@H]([C@H](C=1N)C1[NH+]=c2ccccc2=[NH+]1)[*:1]
CCOC(=O)C1=C(N)[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H](Nc2ccccc2)S1 CCOC(=O)[*:1] NC1=C(S[C@@H](Nc2ccccc2)[C@H]1C1[NH+]=c2ccccc2=[NH+]1)[*:1]
O=C(CNC(=O)c1ccc(-c2ccccc2Cl)o1)Nc1ccccc1Br Clc1ccccc1[*:1] O=C(CNC(=O)c1ccc(o1)[*:1])Nc1ccccc1Br
O=C(CNC(=O)c1ccc(-c2ccccc2Cl)o1)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(CNC(=O)c1ccc(o1)-c1ccccc1Cl)N[*:1]
CCOc1ccc(-c2nc(COc3cc(C(F)(F)F)c4c(C)nn(C)c4n3)c(C)o2)cc1 CCO[*:1] Cc1oc(nc1COc1cc(c2c(C)nn(C)c2n1)C(F)(F)F)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(COc3cc(C(F)(F)F)c4c(C)nn(C)c4n3)c(C)o2)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)-c1nc(COc2cc(c3c(C)nn(C)c3n2)[*:1])c(C)o1
CCOc1ccc(-c2nc(COc3cc(C(F)(F)F)c4c(C)nn(C)c4n3)c(C)o2)cc1 CCOc1ccc(cc1)[*:1] Cc1oc(nc1COc1cc(c2c(C)nn(C)c2n1)C(F)(F)F)[*:1]
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(CC1)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)CCc1c(C)noc1C CCC[*:1] Cc1noc(C)c1CCC(=O)N[C@@H]1C[C@H]1[*:1]
CC(=O)Nc1ccc(/C=N/O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(/C=N/O[C@@H](C)C(=O)N2CCN(CC2)[*:1])cc1
CC(=O)Nc1ccc(/C=N/O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 CC(=O)N[*:1] C[C@H](O/N=C/c1ccc(cc1)[*:1])C(=O)N1CCN(CC1)c1ccccc1
C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 Clc1ccccc1[*:1] C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCn1cc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cn1 CCn1cc(cn1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc2ccccc2c1
O=C(O/N=C1\CCCC2=c3ccccc3=[NH+][C@@H]21)C1CCCCC1 C1CCC(CC1)[*:1] O=C(O/N=C1\CCCC2=c3ccccc3=[NH+][C@@H]21)[*:1]
N#Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1cccc2ccccc12 N#Cc1ccccc1O[*:1] O=C(/C=C/c1cccc2ccccc12)NNC(=O)C[*:1]
N#Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1cccc2ccccc12 N#Cc1ccccc1[*:1] O=C(/C=C/c1cccc2ccccc12)NNC(=O)CO[*:1]
O=C(C[NH+]1CCC(OCc2ccccc2F)CC1)NC(=O)NC1CC1 Fc1ccccc1C[*:1] O=C(C[NH+]1CCC(CC1)O[*:1])NC(=O)NC1CC1
O=C(C[NH+]1CCC(OCc2ccccc2F)CC1)NC(=O)NC1CC1 Fc1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)OC[*:1])NC(=O)NC1CC1
O=C(C[NH+]1CCC(OCc2ccccc2F)CC1)NC(=O)NC1CC1 C1CC1[*:1] O=C(C[NH+]1CCC(CC1)OCc1ccccc1F)NC(=O)N[*:1]
O=C(Cn1ncc2ccccc21)Nc1ccc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] O=C(Cn1ncc2ccccc21)Nc1ccc(nc1)[*:1]
CCOc1ccc(N)c(SCc2ccncc2)c1 CCO[*:1] Nc1ccc(cc1SCc1ccncc1)[*:1]
CCOc1ccc(N)c(SCc2ccncc2)c1 c1cc(ccn1)[*:1] CCOc1ccc(N)c(c1)SC[*:1]
CCc1c(C(=O)Nc2cccc(-n3cnnn3)c2)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1c(nnn1[*:1])C(=O)Nc1cccc(c1)-n1cnnn1
CCc1c(C(=O)Nc2cccc(-n3cnnn3)c2)nnn1-c1cccc(Cl)c1 c1nnnn1[*:1] CCc1c(nnn1-c1cccc(Cl)c1)C(=O)Nc1cccc(c1)[*:1]
CN(CCC(N)=S)C(=O)C[C@@H]1CCCCO1 NC(=S)CC[*:1] CN(C(=O)C[C@@H]1CCCCO1)[*:1]
CN(CCC(N)=S)C(=O)C[C@@H]1CCCCO1 NC(=S)[*:1] CN(CC[*:1])C(=O)C[C@@H]1CCCCO1
CN(CCC(N)=S)C(=O)C[C@@H]1CCCCO1 NC(=S)C[*:1] CN(C[*:1])C(=O)C[C@@H]1CCCCO1
COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c(OC)cc1Br Clc1ccccc1[*:1] COc1cc(c(cc1Br)OC)[C@@H]1CC(=O)NC2C[C@H](CC(=O)C=21)[*:1]
CCOC(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C C1CN(CCO1)[*:1] CCOC(=O)Nc1ccc2c(c1)nc(C[*:1])n2C
CCOC(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C CCOC(=O)N[*:1] Cn1c(CN2CCOCC2)nc2cc(ccc21)[*:1]
CCOC(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C C1CN(CCO1)C[*:1] CCOC(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
CN1CCO[C@H](COc2cc3c(cc2CC[NH3+])OCO3)C1 CN1CCO[C@H](C1)[*:1] [NH3+]CCc1cc2OCOc2cc1OC[*:1]
CN1CCO[C@H](COc2cc3c(cc2CC[NH3+])OCO3)C1 [NH3+]CC[*:1] CN1CCO[C@H](COc2cc3OCOc3cc2[*:1])C1
Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H]3CCCc4ccccc43)c12 c1coc(c1)[*:1] Cc1noc2nc(cc(C(=O)N[C@@H]3CCCc4ccccc43)c12)[*:1]
CCN(c1ccccc1C(N)=[NH2+])C1CC1 C1CC1[*:1] CCN(c1ccccc1C(N)=[NH2+])[*:1]
CCN(c1ccccc1C(N)=[NH2+])C1CC1 NC(=[NH2+])[*:1] CCN(c1ccccc1[*:1])C1CC1
CN(C[C@@H](O)C1CC1)C(=O)c1ccc(F)cc1OC(F)F C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)c1ccc(F)cc1OC(F)F
CN(C[C@@H](O)C1CC1)C(=O)c1ccc(F)cc1OC(F)F FC(F)O[*:1] CN(C[C@@H](O)C1CC1)C(=O)c1ccc(F)cc1[*:1]
CN(C[C@@H](O)C1CC1)C(=O)c1ccc(F)cc1OC(F)F FC(F)[*:1] CN(C[C@@H](O)C1CC1)C(=O)c1ccc(F)cc1O[*:1]
Cc1ccc(N2C[C@H](C(=O)NCC(=O)OC(C)C)CCC2=O)cc1C CC(C)OC(=O)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@H](C(=O)NCC(=O)OC(C)C)CCC2=O)cc1C CC(C)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)NCC(=O)O[*:1]
Cc1ccc(N2C[C@H](C(=O)NCC(=O)OC(C)C)CCC2=O)cc1C CC(C)OC(=O)C[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)NCC(=O)OC(C)C)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] CC(C)OC(=O)CNC(=O)[C@@H]1CCC(=O)N(C1)[*:1]
N#Cc1c2n(c(=O)n(CC(=O)NCc3cccs3)c1=O)CCCCC2 c1csc(c1)C[*:1] N#Cc1c2CCCCCn2c(=O)n(CC(=O)N[*:1])c1=O
N#Cc1c2n(c(=O)n(CC(=O)NCc3cccs3)c1=O)CCCCC2 c1csc(c1)[*:1] N#Cc1c2CCCCCn2c(=O)n(CC(=O)NC[*:1])c1=O
Cc1noc(CNc2c(C)ccc([N+](=O)[O-])c2C)n1 O=[N+]([O-])[*:1] Cc1noc(CNc2c(C)ccc(c2C)[*:1])n1
Cc1noc(CNc2c(C)ccc([N+](=O)[O-])c2C)n1 Cc1noc(n1)[*:1] Cc1ccc(c(C)c1NC[*:1])[N+](=O)[O-]
CC(=O)Nc1cccc(Oc2cnccn2)c1 CC(=O)N[*:1] c1cc(cc(c1)[*:1])Oc1cnccn1
COc1ccc2ccccc2c1/C=N/c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc2ccccc2c1C=N[*:1]
CC[C@@H](C)NC(=O)N1CCN(Cc2ccccc2OC)CC1 CC[C@@H](C)[*:1] COc1ccccc1CN1CCN(CC1)C(=O)N[*:1]
Cc1nn(C(F)F)c(C)c1CC(=O)O[C@@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1nn(c(C)c1CC(=O)O[C@@H](C)[*:1])C(F)F
Cc1nn(C(F)F)c(C)c1CC(=O)O[C@@H](C)[C@@H]1CCCO1 FC(F)[*:1] Cc1nn(c(C)c1CC(=O)O[C@@H](C)[C@@H]1CCCO1)[*:1]
COCCN1CC[NH+]([C@@H]2CCC[C@@H](C3CC3)C2)CC1 COCC[*:1] C1C[C@H](C[C@@H](C1)[NH+]1CCN(CC1)[*:1])C1CC1
COCCN1CC[NH+]([C@@H]2CCC[C@@H](C3CC3)C2)CC1 C1CC1[*:1] COCCN1CC[NH+](CC1)[C@@H]1CCC[C@@H](C1)[*:1]
COCCN1CC[NH+]([C@@H]2CCC[C@@H](C3CC3)C2)CC1 COC[*:1] C1C[C@H](C[C@@H](C1)[NH+]1CCN(CC1)C[*:1])C1CC1
COc1ccc(C(=O)Nc2nnn(C)n2)cc1Cl Cn1nnc(n1)[*:1] COc1ccc(cc1Cl)C(=O)N[*:1]
CCc1nc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)no1 Fc1cccc(c1)CC[*:1] CCc1nc(CNC(=O)[C@@H]2CCC(=O)N(C2)[*:1])no1
CCc1nc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)no1 CCc1nc(C[*:1])no1 O=C(N[*:1])[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1
CCc1nc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)no1 Fc1cccc(c1)C[*:1] CCc1nc(CNC(=O)[C@@H]2CCC(=O)N(C2)C[*:1])no1
CCc1nc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)no1 CCc1nc(no1)[*:1] O=C(NC[*:1])[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1
CCc1nc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)no1 Fc1cccc(c1)[*:1] CCc1nc(CNC(=O)[C@@H]2CCC(=O)N(CC[*:1])C2)no1
Cc1ccc2c(CC(=O)OC3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c2c1 CC(C)(C)[*:1] Cc1ccc2c(c[nH]c2c1)CC(=O)OC1CCN(CC1)C(=O)O[*:1]
S=C1SCN(Cc2cccs2)CN1Cc1cccs1 c1csc(c1)C[*:1] S=C1SCN(Cc2cccs2)CN1[*:1]
S=C1SCN(Cc2cccs2)CN1Cc1cccs1 c1csc(c1)[*:1] S=C1SCN(Cc2cccs2)CN1C[*:1]
S=C1SCN(Cc2cccs2)CN1Cc1cccs1 c1csc(c1)C[*:1] S=C1SCN(CN1Cc1cccs1)[*:1]
S=C1SCN(Cc2cccs2)CN1Cc1cccs1 c1csc(c1)[*:1] S=C1SCN(CN1Cc1cccs1)C[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2C[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] CCc1nn(C)c2c1[nH]c(=S)n2C[*:1]
N#Cc1cccc(OCC[NH3+])c1 [NH3+]CCO[*:1] N#Cc1cccc(c1)[*:1]
N#Cc1cccc(OCC[NH3+])c1 [NH3+]CC[*:1] N#Cc1cccc(c1)O[*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 C1CC[C@H](OC1)[*:1] CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+]C[*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 C1CC[C@@H](C[*:1])OC1 CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+][*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 CC(C)(C)[*:1] O=C(N[C@@H]1CC[C@H](C1)[NH2+]C[C@@H]1CCCCO1)O[*:1]
COc1ccccc1N1CCC[C@@H](NC(=O)NC[C@@H]2CCC[C@@H]2O)C1 COc1ccccc1[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCCN(C1)[*:1]
O=C1C[C@H](c2noc(-c3cccc(F)c3)n2)CN1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@@H](CN1C[*:1])c1noc(n1)-c1cccc(F)c1
O=C1C[C@H](c2noc(-c3cccc(F)c3)n2)CN1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C1C[C@@H](CN1[*:1])c1noc(n1)-c1cccc(F)c1
O=C1C[C@H](c2noc(-c3cccc(F)c3)n2)CN1CCc1ccccc1 Fc1cccc(c1)[*:1] O=C1C[C@@H](CN1CCc1ccccc1)c1noc(n1)[*:1]
O=C1C[C@H](c2noc(-c3cccc(F)c3)n2)CN1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](CN1CC[*:1])c1noc(n1)-c1cccc(F)c1
O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)c1ccccc1 ClC(Cl)(Cl)[*:1] O=C(N[C@H](N1CCOCC1)[*:1])c1ccccc1
O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)[*:1]
O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)c1ccccc1 C1CN(CCO1)[*:1] O=C(N[C@H](C(Cl)(Cl)Cl)[*:1])c1ccccc1
C/C(=C/C(=O)NCCC(=O)Nc1cccc(C)n1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(=CC(=O)NCCC(=O)Nc1cccc(C)n1)[*:1]
C/C(=C/C(=O)NCCC(=O)Nc1cccc(C)n1)c1ccc(F)cc1F Cc1cccc(n1)[*:1] C/C(=C/C(=O)NCCC(=O)N[*:1])c1ccc(F)cc1F
Cc1noc(-c2ccc(C(=O)N(C[C@@H]3CCCO3)c3ccncc3)cc2)n1 Cc1noc(n1)[*:1] O=C(c1ccc(cc1)[*:1])N(C[C@@H]1CCCO1)c1ccncc1
Cc1noc(-c2ccc(C(=O)N(C[C@@H]3CCCO3)c3ccncc3)cc2)n1 c1cc(ccn1)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)N(C[C@@H]1CCCO1)[*:1]
C[C@H](OCC1CC1)C(=O)N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 C[C@H](OCC1CC1)[*:1] O=C(N1CCCN(CC1)c1[nH]c2ccccc2[nH+]1)[*:1]
C[C@H](OCC1CC1)C(=O)N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 C1CC1[*:1] C[C@H](OC[*:1])C(=O)N1CCCN(CC1)c1[nH]c2ccccc2[nH+]1
C[C@H](OCC1CC1)C(=O)N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 C1CC1CO[*:1] C[C@H](C(=O)N1CCCN(CC1)c1[nH]c2ccccc2[nH+]1)[*:1]
C[C@H](OCC1CC1)C(=O)N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 C1CC1C[*:1] C[C@H](O[*:1])C(=O)N1CCCN(CC1)c1[nH]c2ccccc2[nH+]1
CCOc1ccccc1NC(=O)c1cccc(OC)c1 CCO[*:1] COc1cccc(c1)C(=O)Nc1ccccc1[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(=O)N(C)C)o2)c1 COC(=O)[*:1] CN(C)C(=O)/C(C#N)=C/c1ccc(o1)-c1cc(ccc1Cl)[*:1]
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(=O)N(C)C)o2)c1 CN(C)C(=O)[*:1] COC(=O)c1ccc(Cl)c(c1)-c1ccc(C=C(C#N)[*:1])o1
Cc1csc(CCCNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)n1 Cc1csc(C[*:1])n1 Cc1nc(cs1)C[NH+]1CCC(CC1)C(=O)NCC[*:1]
Cc1csc(CCCNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)n1 Cc1nc(cs1)C[*:1] Cc1csc(CCCNC(=O)C2CC[NH+](CC2)[*:1])n1
Cc1csc(CCCNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)n1 Cc1nc(cs1)[*:1] Cc1csc(CCCNC(=O)C2CC[NH+](CC2)C[*:1])n1
Cc1csc(CCCNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)n1 Cc1csc(n1)[*:1] Cc1nc(cs1)C[NH+]1CCC(CC1)C(=O)NCCC[*:1]
Cc1csc(CCCNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)n1 Cc1csc(CC[*:1])n1 Cc1nc(cs1)C[NH+]1CCC(CC1)C(=O)NC[*:1]
Cc1ccc(NC(=O)c2ccccc2C)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 Cc1ccccc1[*:1] Cc1ccc(cc1OCc1cc(=O)n2c(ncn2C(C)C)n1)NC(=O)[*:1]
Cc1ccc(NC(=O)c2ccccc2C)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 Cc1ccccc1C(=O)N[*:1] Cc1ccc(cc1OCc1cc(=O)n2c(ncn2C(C)C)n1)[*:1]
Cc1ccc(NC(=O)c2ccccc2C)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 CC(C)[*:1] Cc1ccc(cc1OCc1cc(=O)n2c(ncn2[*:1])n1)NC(=O)c1ccccc1C
C=CCNc1ccccc1C(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1 C=CC[*:1] CN(C[C@@H]1CCN(C1)c1ccccc1)C(=O)c1ccccc1N[*:1]
C=CCNc1ccccc1C(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] C=CCNc1ccccc1C(=O)N(C)C[C@@H]1CCN(C1)[*:1]
C=CCNc1ccccc1C(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1 C=CCN[*:1] CN(C[C@@H]1CCN(C1)c1ccccc1)C(=O)c1ccccc1[*:1]
C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)c1ccc(=O)n(c1)CC(=O)NC1CCCCC1)[*:1]
C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)c1ccccn1 O=C(NC1CCCCC1)[*:1] C[C@@H](NC(=O)c1ccc(=O)n(c1)C[*:1])c1ccccn1
C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)c1ccccn1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)c1ccc(=O)n(c1)CC(=O)N[*:1])c1ccccn1
Cc1cccc(NC(=O)[C@@H](C)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1C Cc1cccc(c1C)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)[C@@H](C#N)c1ccccc1
Cc1cccc(NC(=O)[C@@H](C)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1C N#C[C@@H](c1ccccc1)[*:1] Cc1cccc(NC(=O)[C@@H](C)N2CCN(CC2)[*:1])c1C
Cc1cccc(NC(=O)[C@@H](C)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)[C@@H](C)N2CCN(CC2)[C@@H](C#N)[*:1])c1C
Cc1ccc(CC(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1C Cc1ccc(cc1C)[*:1] CS(=O)(=O)Nc1cccc(c1)CNC(=O)C[*:1]
Cc1ccc(CC(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1C CS(=O)(=O)N[*:1] Cc1ccc(cc1C)CC(=O)NCc1cccc(c1)[*:1]
Cc1cc(F)ccc1NC(=O)CNC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(F)ccc1NC(=O)CNC(=O)C[*:1]
Cc1cc(F)ccc1NC(=O)CNC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(F)ccc1NC(=O)CNC(=O)[*:1]
COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@@H](c1cccs1)N(C)C2=O Cc1cccc(n1)NC(=O)[*:1] COc1cc2C(=O)N(C)[C@H](c3cccs3)[C@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@@H](c1cccs1)N(C)C2=O Cc1cccc(n1)[*:1] COc1cc2C(=O)N(C)[C@H](c3cccs3)[C@H](C(=O)N[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@@H](c1cccs1)N(C)C2=O c1csc(c1)[*:1] COc1cc2C(=O)N(C)[C@H]([C@H](C(=O)Nc3cccc(C)n3)c2cc1OC)[*:1]
Cc1cccc(NC(=O)[C@@H](Sc2nnc(N)s2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@H](Sc1nnc(N)s1)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@@H](Sc2nnc(N)s2)C(C)C)c1 Nc1nnc(S[*:1])s1 Cc1cccc(c1)NC(=O)[C@@H](C(C)C)[*:1]
Cc1cccc(NC(=O)[C@@H](Sc2nnc(N)s2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)[C@@H](Sc1nnc(N)s1)[*:1]
Cc1cccc(NC(=O)[C@@H](Sc2nnc(N)s2)C(C)C)c1 Nc1nnc(s1)[*:1] Cc1cccc(c1)NC(=O)[C@@H](S[*:1])C(C)C
Cc1nonc1C(=O)N/N=C/c1ccc(N(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1nonc1C(=O)N/N=C/c1ccc(c(c1)[*:1])N(C)C
Cc1nonc1C(=O)N/N=C/c1ccc(N(C)C)c([N+](=O)[O-])c1 CN(C)[*:1] Cc1nonc1C(=O)N/N=C/c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1nonc1C(=O)N/N=C/c1ccc(N(C)C)c([N+](=O)[O-])c1 Cc1nonc1[*:1] CN(C)c1ccc(/C=N/NC(=O)[*:1])cc1[N+](=O)[O-]
C[C@H](O)C[C@H]1CCCN1C(=O)c1cn(C)nc1-c1cccs1 C[C@H](O)[*:1] Cn1cc(C(=O)N2CCC[C@@H]2C[*:1])c(n1)-c1cccs1
C[C@H](O)C[C@H]1CCCN1C(=O)c1cn(C)nc1-c1cccs1 C[C@H](O)C[*:1] Cn1cc(C(=O)N2CCC[C@@H]2[*:1])c(n1)-c1cccs1
C[C@H](O)C[C@H]1CCCN1C(=O)c1cn(C)nc1-c1cccs1 c1csc(c1)[*:1] C[C@H](O)C[C@H]1CCCN1C(=O)c1cn(C)nc1[*:1]
O=C(NC1(c2ccccc2)CCCCC1)c1cnc([C@@H]2CCCO2)s1 c1ccc(cc1)[*:1] O=C(NC1(CCCCC1)[*:1])c1cnc(s1)[C@@H]1CCCO1
O=C([O-])c1ccc2ncccc2n1 O=C([O-])[*:1] c1cnc2ccc(nc2c1)[*:1]
CCc1ccc(-n2c([O-])nc3nc(N4CCC([NH+]5CCCCC5)CC4)ncc3c2=O)cc1 CCc1ccc(cc1)[*:1] O=c1c2cnc(nc2nc([O-])n1[*:1])N1CCC(CC1)[NH+]1CCCCC1
N#Cc1c(CN2CCO[C@@H](Cn3cccn3)C2)cn2ccccc12 c1cnn(c1)[*:1] N#Cc1c(cn2ccccc12)CN1CCO[C@H](C1)C[*:1]
N#Cc1c(CN2CCO[C@@H](Cn3cccn3)C2)cn2ccccc12 c1cnn(c1)C[*:1] N#Cc1c(cn2ccccc12)CN1CCO[C@@H](C1)[*:1]
CN(C(=O)c1scnc1C1CC1)c1ccc(F)c(F)c1 C1CC1[*:1] CN(C(=O)c1scnc1[*:1])c1ccc(F)c(F)c1
C[C@@H](O)[C@@H]1[C@H](O)C[C@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C C[C@@H](O)[*:1] C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C[C@@H](O)[C@H]2[*:1]
CCC[NH2+][C@@H]1CCC[C@@H](n2nc(C)c(CC)c2C)C1 CCC[*:1] CCc1c(C)nn(c1C)[C@@H]1CCC[C@H](C1)[NH2+][*:1]
CC(C)CC1(CNC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CCCC1 CS(=O)(=O)N[*:1] CC(C)CC1(CCCC1)CNC(=O)N1CCC[C@@H](C1)[*:1]
CC(C)CC1(CNC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CCCC1 CC(C)C[*:1] CS(=O)(=O)N[C@@H]1CCCN(C1)C(=O)NCC1(CCCC1)[*:1]
CC(C)CC1(CNC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CCCC1 CC(C)[*:1] CS(=O)(=O)N[C@@H]1CCCN(C1)C(=O)NCC1(CCCC1)C[*:1]
Cc1ccccc1/C=N/OCc1coc(-c2ccc(F)cc2)n1 Cc1ccccc1[*:1] Fc1ccc(cc1)-c1nc(co1)CON=C[*:1]
Cc1ccccc1/C=N/OCc1coc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1ccccc1/C=N/OCc1coc(n1)[*:1]
COC(=O)c1ccc(Cn2cnc3c(nnn3-c3ccc(Cl)cc3)c2=O)o1 COC(=O)[*:1] O=c1c2nnn(-c3ccc(Cl)cc3)c2ncn1Cc1ccc(o1)[*:1]
COC(=O)c1ccc(Cn2cnc3c(nnn3-c3ccc(Cl)cc3)c2=O)o1 COC(=O)c1ccc(o1)[*:1] O=c1c2nnn(-c3ccc(Cl)cc3)c2ncn1C[*:1]
COC(=O)c1ccc(Cn2cnc3c(nnn3-c3ccc(Cl)cc3)c2=O)o1 Clc1ccc(cc1)[*:1] COC(=O)c1ccc(Cn2cnc3c(nnn3[*:1])c2=O)o1
C[C@]1(c2noc(CC3(C(=O)[O-])CCCCC3)n2)CCCO1 O=C([O-])[*:1] C[C@@]1(CCCO1)c1noc(CC2(CCCCC2)[*:1])n1
C[C@]1(c2noc(CC3(C(=O)[O-])CCCCC3)n2)CCCO1 C[C@@]1(CCCO1)[*:1] O=C([O-])C1(CCCCC1)Cc1nc(no1)[*:1]
CCn1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1=O c1ccc(nc1)[*:1] CCn1ccc(cc1=O)C(=O)N1CCC[C@H]1[*:1]
c1csc(-c2nnc(SCC3CCCCC3)n2C2CC2)c1 C1CCC(CC1)C[*:1] c1csc(c1)-c1nnc(S[*:1])n1C1CC1
c1csc(-c2nnc(SCC3CCCCC3)n2C2CC2)c1 c1csc(c1)[*:1] C1CCC(CC1)CSc1nnc(n1C1CC1)[*:1]
c1csc(-c2nnc(SCC3CCCCC3)n2C2CC2)c1 C1CCC(CC1)[*:1] c1csc(c1)-c1nnc(SC[*:1])n1C1CC1
c1csc(-c2nnc(SCC3CCCCC3)n2C2CC2)c1 C1CC1[*:1] c1csc(c1)-c1nnc(SCC2CCCCC2)n1[*:1]
CS[C@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CS[C@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(cc1)[*:1]
CCc1ccsc1CNC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 CCc1ccsc1[*:1] CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)NC[*:1]
CCc1ccsc1CNC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CCc1ccsc1CNC(=O)N1CCCN(CC1)C(=O)O[*:1]
CCc1ccsc1CNC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 CCc1ccsc1C[*:1] CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)N[*:1]
CCCNC(=O)[C@H]1CCCN1c1ncccn1 CCC[*:1] O=C(N[*:1])[C@H]1CCCN1c1ncccn1
CC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)cs1 CC(=O)N[*:1] O=S(=O)(c1ccc(cc1)-c1csc(n1)[*:1])N1CCN(CC1)c1ccccc1
CC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)cs1 CC(=O)Nc1nc(cs1)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccccc1
CC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)cs1 c1ccc(cc1)[*:1] CC(=O)Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)C(=O)/C(C#N)=c1/s/c(=C/c2ccncc2)c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)C(=O)/C(C#N)=c1/s/c(=C/c2ccncc2)c(=O)n1C[*:1]
CC(C)C(=O)/C(C#N)=c1/s/c(=C/c2ccncc2)c(=O)n1Cc1ccccc1 CC(C)[*:1] N#C/C(C(=O)[*:1])=c1\s/c(=C/c2ccncc2)c(=O)n1Cc1ccccc1
CC(C)C(=O)/C(C#N)=c1/s/c(=C/c2ccncc2)c(=O)n1Cc1ccccc1 c1cc(ccn1)[*:1] CC(C)C(=O)/C(C#N)=c1/sc(=C[*:1])c(=O)n1Cc1ccccc1
CC(C)C(=O)/C(C#N)=c1/s/c(=C/c2ccncc2)c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)C(=O)/C(C#N)=c1/s/c(=C/c2ccncc2)c(=O)n1[*:1]
CC(C)C(=O)/C(C#N)=c1/s/c(=C/c2ccncc2)c(=O)n1Cc1ccccc1 CC(C)C(=O)[*:1] N#CC(=c1s/c(=C/c2ccncc2)c(=O)n1Cc1ccccc1)[*:1]
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccco2)c(OC)c1 c1coc(c1)[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC(=O)C(C#N)=C[*:1]
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 Clc1ccc(cc1)[*:1] O=C(CS(=O)(=O)C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 Clc1ccc(cc1)C[*:1] O=C(CS(=O)(=O)[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
CCOC(=O)N1CCC(=NNC(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CCOC(=O)N1CCC(CC1)=NNC(=O)[*:1]
CNS(=O)(=O)c1cc(C(=O)NCCn2cc[nH+]c2)cc(C)c1C CNS(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)NCCn1cc[nH+]c1
Cc1cc(C)c(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c(C)c1 C1C[C@@H](CO1)O[*:1] Cc1cc(C)c(C(=O)Nc2ccc(cc2)[*:1])c(C)c1
Cn1ccnc1C(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 Cn1ccnc1[*:1] O=C(N1CCN(CC1)Cc1cnn(c1)-c1ccccc1)[*:1]
Cn1ccnc1C(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] Cn1ccnc1C(=O)N1CCN(CC1)Cc1cnn(c1)[*:1]
Cc1cnc(CCNc2nccc(C(F)(F)F)n2)s1 FC(F)(F)[*:1] Cc1cnc(CCNc2nccc(n2)[*:1])s1
Cc1cnc(CCNc2nccc(C(F)(F)F)n2)s1 Cc1cnc(s1)[*:1] FC(F)(F)c1ccnc(n1)NCC[*:1]
CN(CC(C)(C)O)S(=O)(=O)CCCC(=O)[O-] O=C([O-])C[*:1] CN(CC(C)(C)O)S(=O)(=O)CC[*:1]
CN(CC(C)(C)O)S(=O)(=O)CCCC(=O)[O-] CC(C)(O)[*:1] CN(C[*:1])S(=O)(=O)CCCC(=O)[O-]
CN(CC(C)(C)O)S(=O)(=O)CCCC(=O)[O-] O=C([O-])CC[*:1] CN(CC(C)(C)O)S(=O)(=O)C[*:1]
CN(CC(C)(C)O)S(=O)(=O)CCCC(=O)[O-] CC(C)(O)C[*:1] CN(S(=O)(=O)CCCC(=O)[O-])[*:1]
CN(CC(C)(C)O)S(=O)(=O)CCCC(=O)[O-] O=C([O-])[*:1] CN(CC(C)(C)O)S(=O)(=O)CCC[*:1]
CC(C)c1cnc(CSCCOc2cccc(F)c2)o1 CC(C)[*:1] Fc1cccc(c1)OCCSCc1ncc(o1)[*:1]
Cc1ccc(C(C)C)cc1OCC(=O)N(C)Cc1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1OCC(=O)N(C)C[*:1])C(C)C
Cc1ccc(C(C)C)cc1OCC(=O)N(C)Cc1ccncc1 CC(C)[*:1] Cc1ccc(cc1OCC(=O)N(C)Cc1ccncc1)[*:1]
Cc1ccc(C(C)C)cc1OCC(=O)N(C)Cc1ccncc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1OCC(=O)N(C)[*:1])C(C)C
Cc1nc2cc(NC(=O)CCC(=O)c3ccc(C)s3)ccc2o1 Cc1ccc(s1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)CCC(=O)[*:1]
O=C(N[C@@H]1CCCCC[C@@H]1C(=O)[O-])c1c(F)cccc1Cl O=C([O-])[*:1] O=C(N[C@@H]1CCCCC[C@H]1[*:1])c1c(F)cccc1Cl
C/C=C(\C)C(=O)OC1CCN(C(=O)OC)CC1 CC=C(C)[*:1] COC(=O)N1CCC(CC1)OC(=O)[*:1]
COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)cc1 COC(=O)[*:1] O=C1C[C@H](C(=O)N1c1ccc(cc1)[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)cc1 O=c1[nH]c2ccccc2n1[*:1] COC(=O)c1ccc(cc1)N1C(=O)C[C@H](C1=O)N1CCC(CC1)[*:1]
COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)cc1 COC(=O)c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N1[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
CC(=O)c1ccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 CC(=O)[*:1] O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(CC1)c1ccc(cc1)[*:1]
Cn1c(=O)c(-c2noc(CCC(=O)NCc3ccccc3F)n2)nn(-c2ccc(Cl)cc2)c1=O O=C(NCc1ccccc1F)[*:1] Cn1c(=O)c(nn(-c2ccc(Cl)cc2)c1=O)-c1noc(CC[*:1])n1
Cn1c(=O)c(-c2noc(CCC(=O)NCc3ccccc3F)n2)nn(-c2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] Cn1c(=O)c(nn(c1=O)[*:1])-c1noc(CCC(=O)NCc2ccccc2F)n1
Cn1c(=O)c(-c2noc(CCC(=O)NCc3ccccc3F)n2)nn(-c2ccc(Cl)cc2)c1=O Fc1ccccc1[*:1] Cn1c(=O)c(nn(-c2ccc(Cl)cc2)c1=O)-c1noc(CCC(=O)NC[*:1])n1
Cn1c(=O)c(-c2noc(CCC(=O)NCc3ccccc3F)n2)nn(-c2ccc(Cl)cc2)c1=O Fc1ccccc1C[*:1] Cn1c(=O)c(nn(-c2ccc(Cl)cc2)c1=O)-c1noc(CCC(=O)N[*:1])n1
Cc1nc(C(C)(C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])sc1C O=[N+]([O-])[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)c1cc(F)ccc1[*:1]
Cc1nc(C(C)(C)NC(=O)c2cc(F)ccc2[N+](=O)[O-])sc1C Cc1nc(sc1C)[*:1] CC(C)(NC(=O)c1cc(F)ccc1[N+](=O)[O-])[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(N)=O)C(=O)[O-] NC(=O)N[*:1] CC[C@@H](C)[C@H](NC(=O)[C@@H](C)[*:1])C(=O)[O-]
CC[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(N)=O)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(N)=O)[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(N)=O)C(=O)[O-] CC[C@@H](C)[*:1] C[C@@H](NC(N)=O)C(=O)N[C@H](C(=O)[O-])[*:1]
CCCN(C[C@@H]1CSc2ccccc21)C1CC[NH2+]CC1 CCC[*:1] c1ccc2c(c1)SC[C@H]2CN(C1CC[NH2+]CC1)[*:1]
O=C(NCCCc1ccccc1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 c1ccc(cc1)CCC[*:1] O=C(N[*:1])C1CCN(CC1)c1[nH]c2ccccc2[nH+]1
O=C(NCCCc1ccccc1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 c1ccc(cc1)CC[*:1] O=C(NC[*:1])C1CCN(CC1)c1[nH]c2ccccc2[nH+]1
O=C(NCCCc1ccccc1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])C1CCN(CC1)c1[nH]c2ccccc2[nH+]1
O=C(NCCCc1ccccc1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])C1CCN(CC1)c1[nH]c2ccccc2[nH+]1
O=C(CN1CCN(C(=O)CO)CC1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CN1CCN(CC1)C(=O)CO)N[*:1]
COc1ccccc1CNc1ccc(NC(=O)[C@@H]2CCCO2)cc1 O=C(N[*:1])[C@@H]1CCCO1 COc1ccccc1CNc1ccc(cc1)[*:1]
COc1ccccc1CNc1ccc(NC(=O)[C@@H]2CCCO2)cc1 COc1ccccc1[*:1] O=C(Nc1ccc(cc1)NC[*:1])[C@@H]1CCCO1
C[C@@H]([C@H](C)C(=O)[O-])[S@@](=O)C(C)(C)C O=C([O-])[*:1] C[C@@H]([C@H](C)[*:1])[S@@](=O)C(C)(C)C
C[C@@H]([C@H](C)C(=O)[O-])[S@@](=O)C(C)(C)C CC(C)(C)[*:1] C[C@@H]([C@H](C)C(=O)[O-])[S@@](=O)[*:1]
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O Clc1ccc(cc1Cl)[*:1] C[C@H](O[*:1])C(=O)N[C@H]1c2ccccc2C[C@@H]1O
CC(C)n1c(SCC(=O)N2CCCCCCC2)nc2ccccc2c1=O CC(C)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])N1CCCCCCC1
C[NH+](CCOc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 c1ccc(cc1)O[*:1] C[NH+](CC[*:1])Cc1nc2cc(ccc2o1)[N+](=O)[O-]
C[NH+](CCOc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 O=[N+]([O-])[*:1] C[NH+](CCOc1ccccc1)Cc1nc2cc(ccc2o1)[*:1]
C[NH+](CCOc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 c1ccc(cc1)[*:1] C[NH+](CCO[*:1])Cc1nc2cc(ccc2o1)[N+](=O)[O-]
C[NH+](CCOc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 c1ccc(cc1)OC[*:1] C[NH+](Cc1nc2cc(ccc2o1)[N+](=O)[O-])C[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](OC)c2ccccc2)C1 CC[C@@H](C)[*:1] CO[C@@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1])c1ccccc1
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](OC)c2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@@H](C)C(=O)N1CCC[C@H](C1)C(=O)NC[C@H](OC)[*:1]
Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(C4CC4)n3C3CC3)o2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1nnc(o1)[C@@H](C)Sc1nnc(n1C1CC1)[*:1]
Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(C4CC4)n3C3CC3)o2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1nnc(o1)[*:1]
Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(C4CC4)n3C3CC3)o2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1nnc(o1)[C@@H](C)Sc1nnc(C2CC2)n1[*:1]
CC(C)CC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 CC(C)CC(=O)N[C@H](C)[*:1] Fc1ccc(cc1)N1CCN(CC1)[C@H](c1cccs1)[*:1]
CC(C)CC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)CC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(CC1)[*:1]
CC(C)CC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 c1csc(c1)[*:1] CC(C)CC(=O)N[C@H](C)[C@@H](N1CCN(CC1)c1ccc(F)cc1)[*:1]
CC(C)CC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 CC(C)[*:1] C[C@@H](NC(=O)C[*:1])[C@@H](c1cccs1)N1CCN(CC1)c1ccc(F)cc1
CC(C)CC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 CC(C)C[*:1] C[C@@H](NC(=O)[*:1])[C@@H](c1cccs1)N1CCN(CC1)c1ccc(F)cc1
CC(C)CC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 CC(C)CC(=O)N[*:1] C[C@H]([C@@H](c1cccs1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
CC(C)c1nnc(NC(=O)CN2C[C@H](C)C[C@@H]([NH3+])C2)o1 CC(C)[*:1] C[C@@H]1C[C@@H]([NH3+])CN(CC(=O)Nc2nnc(o2)[*:1])C1
COc1ccccc1CN(C(=O)C[C@H](O)c1cccc(F)c1)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)C[C@H](O)c1cccc(F)c1)[*:1]
COc1ccccc1CN(C(=O)C[C@H](O)c1cccc(F)c1)C1CC1 COc1ccccc1[*:1] O=C(C[C@H](O)c1cccc(F)c1)N(C[*:1])C1CC1
COc1ccccc1CN(C(=O)C[C@H](O)c1cccc(F)c1)C1CC1 Fc1cccc(c1)[*:1] COc1ccccc1CN(C(=O)C[C@H](O)[*:1])C1CC1
CCC[C@H](C)C[C@@H](C(=O)[O-])c1ccccc1F CCC[C@H](C)[*:1] O=C([O-])[C@H](C[*:1])c1ccccc1F
CCC[C@H](C)C[C@@H](C(=O)[O-])c1ccccc1F CCC[*:1] C[C@H](C[C@@H](C(=O)[O-])c1ccccc1F)[*:1]
CCC[C@H](C)C[C@@H](C(=O)[O-])c1ccccc1F O=C([O-])[*:1] CCC[C@H](C)C[C@@H](c1ccccc1F)[*:1]
O=C(NC1CCCCC1)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 C1CCC(CC1)[*:1] O=C(N[*:1])[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12
Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nnc(C)s3)[C@H]2c2cccs2)cc1 Cc1nnc(s1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C(=O)N[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nnc(C)s3)[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C(=O)Nc2nnc(C)s2)[C@@H]1[*:1]
Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nnc(C)s3)[C@H]2c2cccs2)cc1 Cc1nnc(NC(=O)[*:1])s1 Cc1ccc(cc1)N1C(=O)C[C@@H]([C@H]1c1cccs1)[*:1]
Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nnc(C)s3)[C@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] Cc1nnc(NC(=O)[C@@H]2CC(=O)N([C@@H]2c2cccs2)[*:1])s1
CCCc1noc(-c2cc(S(=O)(=O)NC)ccc2OC)n1 CCC[*:1] CNS(=O)(=O)c1ccc(OC)c(c1)-c1nc(no1)[*:1]
CCCc1noc(-c2cc(S(=O)(=O)NC)ccc2OC)n1 CNS(=O)(=O)[*:1] CCCc1noc(n1)-c1cc(ccc1OC)[*:1]
CCc1ccccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O CCc1ccccc1[*:1] CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)[*:1]
CCc1ccccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O FC(F)(F)[*:1] CCc1ccccc1N(CC(=O)Nc1ccccc1[*:1])S(C)(=O)=O
CCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(C)cc1 Oc1ccc(Cl)cc1[*:1] CCCN1C(=O)c2[nH]nc(c2[C@H]1c1ccc(C)cc1)[*:1]
CCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)[C@@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1cc(Cl)ccc1O
CCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1[*:1]
Cc1ccccc1C(=O)N[C@H]1CC(C)(C)Cc2occc21 Cc1ccccc1[*:1] CC1(C)Cc2occc2[C@H](C1)NC(=O)[*:1]
O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(c1)C(=O)N[*:1]
O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 c1ccc(cc1)[*:1] O=C(C=C[*:1])NC(=S)Nc1cccc(c1)C(=O)Nc1cccc(Cl)c1
O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 C(=C[*:1])c1ccccc1 O=C(Nc1cccc(Cl)c1)c1cccc(c1)NC(=S)NC(=O)[*:1]
O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 O=C(Nc1cccc(Cl)c1)[*:1] O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(c1)[*:1]
Cc1ccccc1-c1nc(-c2cn(CC(=O)Nc3cccc(Cl)c3)c[nH+]2)no1 Clc1cccc(c1)[*:1] Cc1ccccc1-c1nc(no1)-c1cn(c[nH+]1)CC(=O)N[*:1]
Cc1ccccc1-c1nc(-c2cn(CC(=O)Nc3cccc(Cl)c3)c[nH+]2)no1 Cc1ccccc1[*:1] O=C(Cn1c[nH+]c(c1)-c1noc(n1)[*:1])Nc1cccc(Cl)c1
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2nc(C(C)C)n[nH]2)C1 O=C([O-])[*:1] CO[C@@H]1C[C@@H](N(C1)C(=O)c1nc(n[nH]1)C(C)C)[*:1]
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2nc(C(C)C)n[nH]2)C1 CC(C)[*:1] CO[C@@H]1C[C@@H](C(=O)[O-])N(C1)C(=O)c1nc(n[nH]1)[*:1]
O=C(CSc1nnc(NC(=O)Cc2ccccc2)s1)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(Cc1ccccc1)Nc1nnc(SCC(=O)N[*:1])s1
O=C(CSc1nnc(NC(=O)Cc2ccccc2)s1)Nc1ccc2c(c1)OCCO2 c1ccc(cc1)C[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)Nc1ccc2OCCOc2c1
O=C(CSc1nnc(NC(=O)Cc2ccccc2)s1)Nc1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(CSc1nnc(NC(=O)C[*:1])s1)Nc1ccc2OCCOc2c1
O=C(CSc1nnc(NC(=O)Cc2ccccc2)s1)Nc1ccc2c(c1)OCCO2 O=C(Cc1ccccc1)N[*:1] O=C(CSc1nnc(s1)[*:1])Nc1ccc2OCCOc2c1
CCN(C)S(=O)(=O)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCN(C)S(=O)(=O)N1CCC(CC1)O[*:1]
CCN(C)S(=O)(=O)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)[*:1] CCN(C)S(=O)(=O)N1CCC(CC1)OC[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3N=NC4=C3CCc3ccccc34)CC2)cc1 CC(=O)[*:1] O=C([C@@H]1N=NC2=C1CCc1ccccc12)N1CCN(CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3N=NC4=C3CCc3ccccc34)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C([C@@H]1N=NC2=C1CCc1ccccc12)N1CCN(CC1)[*:1]
CCOC[C@H]1CCN(C(=O)Nc2cccc(Cn3nc(C)nc3C)c2)C1 Cc1nc(C)n(C[*:1])n1 CCOC[C@H]1CCN(C1)C(=O)Nc1cccc(c1)[*:1]
CCOC[C@H]1CCN(C(=O)Nc2cccc(Cn3nc(C)nc3C)c2)C1 CCO[*:1] Cc1nc(C)n(Cc2cccc(c2)NC(=O)N2CC[C@@H](C2)C[*:1])n1
CCOC[C@H]1CCN(C(=O)Nc2cccc(Cn3nc(C)nc3C)c2)C1 Cc1nc(C)n(n1)[*:1] CCOC[C@H]1CCN(C1)C(=O)Nc1cccc(c1)C[*:1]
CCOC[C@H]1CCN(C(=O)Nc2cccc(Cn3nc(C)nc3C)c2)C1 CCOC[*:1] Cc1nc(C)n(Cc2cccc(c2)NC(=O)N2CC[C@@H](C2)[*:1])n1
Cc1c(N2CCCC[C@@H]2c2cn[nH]c2)cc(C#N)cc1[N+](=O)[O-] c1n[nH]cc1[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N1CCCC[C@H]1[*:1]
Cc1c(N2CCCC[C@@H]2c2cn[nH]c2)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])N1CCCC[C@@H]1c1cn[nH]c1
COC(=O)c1c(S(=O)(=O)Nc2ccc(C)c(F)c2)sc2c1CCN(C(=O)c1csnn1)C2 Cc1ccc(cc1F)[*:1] COC(=O)c1c(sc2CN(CCc21)C(=O)c1csnn1)S(=O)(=O)N[*:1]
COC(=O)c1c(S(=O)(=O)Nc2ccc(C)c(F)c2)sc2c1CCN(C(=O)c1csnn1)C2 c1snnc1[*:1] COC(=O)c1c(sc2CN(CCc21)C(=O)[*:1])S(=O)(=O)Nc1ccc(C)c(F)c1
COC(=O)c1c(S(=O)(=O)Nc2ccc(C)c(F)c2)sc2c1CCN(C(=O)c1csnn1)C2 COC(=O)[*:1] Cc1ccc(cc1F)NS(=O)(=O)c1sc2CN(CCc2c1[*:1])C(=O)c1csnn1
Nc1cc2c(c(CN3CCOCC3)c1)OCOC2 C1CN(CCO1)[*:1] Nc1cc2COCOc2c(c1)C[*:1]
CCOC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCOC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CCOC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 CCOC(=O)[*:1] O=C(Nc1c(oc2ccccc12)[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)cc1
O=C(NCC1CCCCC1)c1csc(C#CCO)c1 C1CCC(CC1)[*:1] O=C(NC[*:1])c1csc(C#CCO)c1
O=C(NCC1CCCCC1)c1csc(C#CCO)c1 OCC#C[*:1] O=C(NCC1CCCCC1)c1csc(c1)[*:1]
CC(C)OC(=O)c1ccccc1N(C)C(=O)c1ccnc(N(C)C)c1 CC(C)[*:1] CN(C)c1cc(ccn1)C(=O)N(C)c1ccccc1C(=O)O[*:1]
CC(C)OC(=O)c1ccccc1N(C)C(=O)c1ccnc(N(C)C)c1 CN(C)[*:1] CC(C)OC(=O)c1ccccc1N(C)C(=O)c1ccnc(c1)[*:1]
CC(C)OC(=O)c1ccccc1N(C)C(=O)c1ccnc(N(C)C)c1 CC(C)OC(=O)[*:1] CN(C)c1cc(ccn1)C(=O)N(C)c1ccccc1[*:1]
O=C(CN1C(=O)C[C@@H](c2ccco2)S(=O)(=O)c2ccccc21)Nc1ccc(Cl)c(Cl)c1 c1coc(c1)[*:1] O=C(CN1C(=O)C[C@@H](S(=O)(=O)c2ccccc21)[*:1])Nc1ccc(Cl)c(Cl)c1
O=C(CN1C(=O)C[C@@H](c2ccco2)S(=O)(=O)c2ccccc21)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(CN1C(=O)C[C@@H](c2ccco2)S(=O)(=O)c2ccccc21)N[*:1]
CCS(=O)(=O)CCNC(=O)N[C@H](C)c1ncc(C)s1 CCS(=O)(=O)C[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NC[*:1]
CCS(=O)(=O)CCNC(=O)N[C@H](C)c1ncc(C)s1 CCS(=O)(=O)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NCC[*:1]
CCS(=O)(=O)CCNC(=O)N[C@H](C)c1ncc(C)s1 Cc1cnc(s1)[*:1] CCS(=O)(=O)CCNC(=O)N[C@H](C)[*:1]
COc1ncccc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C COc1ncccc1[*:1] C[C@@H](OC(=O)[*:1])C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C
CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(C)c4C)n3)c(=O)n12 CCCCNC(=O)C[*:1] Cc1cccc(c1C)-n1nc(cc1C)-c1c(C)nc2scc(n2c1=O)[*:1]
CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(C)c4C)n3)c(=O)n12 Cc1cccc(c1C)[*:1] CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(n3)[*:1])c(=O)n12
CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(C)c4C)n3)c(=O)n12 CCC[*:1] Cc1cccc(c1C)-n1nc(cc1C)-c1c(C)nc2scc(CC(=O)NC[*:1])n2c1=O
CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(C)c4C)n3)c(=O)n12 CCCCNC(=O)[*:1] Cc1cccc(c1C)-n1nc(cc1C)-c1c(C)nc2scc(C[*:1])n2c1=O
CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cccc(C)c4C)n3)c(=O)n12 CCCC[*:1] Cc1cccc(c1C)-n1nc(cc1C)-c1c(C)nc2scc(CC(=O)N[*:1])n2c1=O
CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H](O)C(C)(C)C)cc2)cc1 CC(=O)[*:1] CC(C)(C)[C@@H](O)CNC(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H](O)C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] CC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)NC[C@H](O)[*:1]
CC[NH2+][C@@H](C(C)C)[C@@H]1CCC[NH2+]C1 CC(C)[*:1] CC[NH2+][C@@H]([C@@H]1CCC[NH2+]C1)[*:1]
Cc1cnc(C(C)(C)NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] Cc1cnc(s1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)[*:1]
Cc1cnc(C(C)(C)NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)Nc1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
O=C(COc1ccccc1C(F)(F)F)C1=NC=CC1 FC(F)(F)[*:1] O=C(COc1ccccc1[*:1])C1CC=CN=1
C[C@H]1CCC[C@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)[C@@H](C#N)C(=O)N2 Clc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)N1c1nc2NC(=O)[C@H](C#N)[C@H](c2c(=O)[nH]1)[*:1]
O=c1c2ccccc2n2cnnc2n1CCCN1CCOCC1 C1CN(CCO1)[*:1] O=c1c2ccccc2n2cnnc2n1CCC[*:1]
O=c1c2ccccc2n2cnnc2n1CCCN1CCOCC1 C1CN(CCO1)C[*:1] O=c1c2ccccc2n2cnnc2n1CC[*:1]
CC(C)[C@@H]([NH2+][C@H](C)C[C@@H]1CCCO1)c1nc(-c2nc[nH]n2)no1 c1nc(n[nH]1)[*:1] CC(C)[C@@H]([NH2+][C@H](C)C[C@@H]1CCCO1)c1nc(no1)[*:1]
CC(C)[C@@H]([NH2+][C@H](C)C[C@@H]1CCCO1)c1nc(-c2nc[nH]n2)no1 C1CO[C@@H](C1)C[*:1] CC(C)[C@@H]([NH2+][C@H](C)[*:1])c1nc(no1)-c1nc[nH]n1
CC(C)[C@@H]([NH2+][C@H](C)C[C@@H]1CCCO1)c1nc(-c2nc[nH]n2)no1 C1CO[C@@H](C1)[*:1] CC(C)[C@@H]([NH2+][C@H](C)C[*:1])c1nc(no1)-c1nc[nH]n1
CC(C)[C@@H]([NH2+][C@H](C)C[C@@H]1CCCO1)c1nc(-c2nc[nH]n2)no1 CC(C)[*:1] C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](c1nc(no1)-c1nc[nH]n1)[*:1]
CCc1cc(C(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)sc1C c1ncc(cn1)[*:1] CCc1cc(sc1C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCc1cc(C(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)sc1C CCc1cc(sc1C)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-c1cncnc1
CC[C@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)C(=O)N1CCOCC1 CC(C)[*:1] CC[C@H](NC(=O)C[C@@H](c1ccccc1)[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)C(=O)N1CCOCC1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)C[C@@H](C(C)C)[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)C[C@@H](c1ccccc1)C(C)C)[*:1]
O=C(NCc1ccc2c(c1)OCCCO2)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCc1ccc2OCCCOc2c1)N[C@@H]1CCC[C@H](C1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Oc2nccnc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)Oc1nccnc1[*:1]
CCc1cccc(OCCn2cnc(C(=O)OC)n2)c1 COC(=O)[*:1] CCc1cccc(c1)OCCn1cnc(n1)[*:1]
CCn1ccnc(Nc2cccc(N(C)C(C)=O)c2)c1=O CC(=O)N(C)[*:1] CCn1ccnc(Nc2cccc(c2)[*:1])c1=O
Cc1c(CNC(=O)[C@@H]2COc3ccccc3O2)sc2nc(-c3ccc(F)cc3)cn12 Fc1ccc(cc1)[*:1] Cc1c(CNC(=O)[C@@H]2COc3ccccc3O2)sc2nc(cn12)[*:1]
Cc1nnsc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 Cc1nnsc1[*:1] O=C(c1ccco1)N1CCc2ccc(cc2C1)NC(=O)[*:1]
Cc1nnsc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 c1coc(c1)[*:1] Cc1nnsc1C(=O)Nc1ccc2CCN(Cc2c1)C(=O)[*:1]
CCCc1nc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)n[nH]1 CCC[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)c1n[nH]c(n1)[*:1]
O=C(Nc1cccc2cccnc12)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 FC(F)(F)c1cccc(c1)[*:1] O=C(Nc1cccc2cccnc12)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1cccc2cccnc12)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 c1cnc2c(cccc2c1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(Cc2cccc(c2)C(F)(F)F)C1
O=C(Nc1cccc2cccnc12)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] O=C(Nc1cccc2cccnc12)[C@@H]1CC(=O)N(Cc2cccc(c2)[*:1])C1
C[C@@H](NC(=O)Cn1c(C2CCCCC2)nc2ccccc21)C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)Cn1c(nc2ccccc21)C1CCCCC1)[*:1]
C[C@@H](NC(=O)Cn1c(C2CCCCC2)nc2ccccc21)C(N)=O C1CCC(CC1)[*:1] C[C@@H](NC(=O)Cn1c(nc2ccccc21)[*:1])C(N)=O
C[C@@H](NC(=O)Cn1c(C2CCCCC2)nc2ccccc21)C(N)=O C[C@@H](C(N)=O)[*:1] O=C(Cn1c(nc2ccccc21)C1CCCCC1)N[*:1]
CSc1cccc(NC(=O)C[C@H]2Sc3cc(C(=O)[O-])ccc3N=C2O)c1 CSc1cccc(c1)[*:1] O=C(C[C@H]1Sc2cc(ccc2N=C1O)C(=O)[O-])N[*:1]
CSc1cccc(NC(=O)C[C@H]2Sc3cc(C(=O)[O-])ccc3N=C2O)c1 O=C([O-])[*:1] CSc1cccc(c1)NC(=O)C[C@H]1Sc2cc(ccc2N=C1O)[*:1]
COc1ccc(/C(C)=N\NC(=O)[C@H]2C=C(C3CC3)N=N2)cc1 C1CC1[*:1] COc1ccc(cc1)/C(C)=N\NC(=O)[C@H]1C=C(N=N1)[*:1]
C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(cc1)[*:1]
CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 CCCOC(=O)[*:1] O=C(Nc1sc2CCCCCc2c1[*:1])c1ccco1
CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 O=C(N[*:1])c1ccco1 CCCOC(=O)c1c(sc2CCCCCc21)[*:1]
CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 c1coc(c1)[*:1] CCCOC(=O)c1c(NC(=O)[*:1])sc2CCCCCc21
CCCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 CCC[*:1] O=C(Nc1sc2CCCCCc2c1C(=O)O[*:1])c1ccco1
C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CC[NH2+][C@H]1C c1coc(c1)[*:1] C[C@@H](CC[*:1])NC(=O)[C@@H]1CC[NH2+][C@H]1C
C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CC[NH2+][C@H]1C c1coc(c1)C[*:1] C[C@@H](C[*:1])NC(=O)[C@@H]1CC[NH2+][C@H]1C
CC[C@@H](Cc1ccc(C)cc1)NC(=O)[C@@H]1C[C@@H]1C C[C@H]1C[C@H]1[*:1] CC[C@@H](Cc1ccc(C)cc1)NC(=O)[*:1]
COCCn1ccc2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)c1cccc(c1)-n1cnnn1
COCCn1ccc2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])c1cccc(c1)-n1cnnn1
COCCn1ccc2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc21 c1nnnn1[*:1] COCCn1ccc2ccc(cc21)NC(=O)c1cccc(c1)[*:1]
O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 C1CC1[*:1] O=C(NCc1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1noc(n1)[*:1]
O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CC1
O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CC1
O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 C1CC1c1nc(no1)[*:1] O=C(NCc1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 O=C(NCc1ccc(F)cc1)[*:1] O=S(=O)(c1ccc(cc1)-c1noc(n1)C1CC1)N1CCC(CC1)[*:1]
Cc1cc(NC(=O)c2ccc(/C=C3\SC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)no1 FC(F)(F)[*:1] Cc1cc(no1)NC(=O)c1ccc(/C=C2\SC(=O)N(C2=O)c2cccc(c2)[*:1])cc1
Cc1cc(NC(=O)c2ccc(/C=C3\SC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)no1 FC(F)(F)c1cccc(c1)[*:1] Cc1cc(no1)NC(=O)c1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1
Cc1cc(NC(=O)c2ccc(/C=C3\SC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)no1 Cc1cc(no1)NC(=O)[*:1] O=C1S/C(=C\c2ccc(cc2)[*:1])C(=O)N1c1cccc(c1)C(F)(F)F
Cc1cc(NC(=O)c2ccc(/C=C3\SC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])c1ccc(/C=C2\SC(=O)N(C2=O)c2cccc(c2)C(F)(F)F)cc1
COc1ccccc1N1CCN(CC(=O)Nc2cc(C)nc3ccccc23)C1=O COc1ccccc1[*:1] Cc1cc(NC(=O)CN2CCN(C2=O)[*:1])c2ccccc2n1
CC(=O)c1c[nH]c(C(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] CC(=O)c1c[nH]c(c1)C(=O)NCC[C@H](C)c1cccc(c1)[*:1]
CC(=O)c1c[nH]c(C(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)c1 CC(=O)[*:1] C[C@@H](CCNC(=O)c1cc(c[nH]1)[*:1])c1cccc(c1)C(F)(F)F
CC(=O)c1c[nH]c(C(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)c1 CC(=O)c1c[nH]c(c1)[*:1] C[C@@H](CCNC(=O)[*:1])c1cccc(c1)C(F)(F)F
CC(C)Oc1cccc([C@@H](O)CNC(=O)[C@@H]2CCO[C@@H]2C)c1 CC(C)[*:1] C[C@H]1OCC[C@H]1C(=O)NC[C@H](O)c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@@H](O)CNC(=O)[C@@H]2CCO[C@@H]2C)c1 CC(C)O[*:1] C[C@H]1OCC[C@H]1C(=O)NC[C@H](O)c1cccc(c1)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC=CCC2)c1 CNC(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])[C@@H]1CC=CCC1
COc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 C1CC1[*:1] COc1ccc(c(C)c1)S(=O)(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
NC(=O)c1cncc(Nc2ccc(CC(F)(F)F)cc2)n1 FC(F)(F)C[*:1] NC(=O)c1cncc(n1)Nc1ccc(cc1)[*:1]
NC(=O)c1cncc(Nc2ccc(CC(F)(F)F)cc2)n1 NC(=O)[*:1] FC(F)(F)Cc1ccc(cc1)Nc1cncc(n1)[*:1]
NC(=O)c1cncc(Nc2ccc(CC(F)(F)F)cc2)n1 FC(F)(F)[*:1] NC(=O)c1cncc(n1)Nc1ccc(cc1)C[*:1]
Cn1cc(C2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)cn1 c1cncc(c1)[*:1] Cn1cc(cn1)C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
Cn1cc(C2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)cn1 Cn1cc(cn1)[*:1] c1cncc(c1)-c1cccc(c1)C[NH+]1CCC(CC1)[*:1]
CC1(C)CCSC[C@@]1(Nc1ccc(F)cc1)C(N)=O NC(=O)[*:1] CC1(C)CCSC[C@]1(Nc1ccc(F)cc1)[*:1]
Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)C3CCOCC3)c12 c1coc(c1)[*:1] Cc1noc2nc(cc(C(=O)N(C)C3CCOCC3)c12)[*:1]
Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)C3CCOCC3)c12 C1CC(CCO1)[*:1] Cc1noc2nc(cc(C(=O)N(C)[*:1])c12)-c1ccco1
COCCc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)n1N COC[*:1] C[C@H](Sc1nnc(C[*:1])n1N)C(=O)Nc1ccc(Cl)cc1
COCCc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)n1N COCC[*:1] C[C@H](Sc1nnc(n1N)[*:1])C(=O)Nc1ccc(Cl)cc1
COCCc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)n1N Clc1ccc(cc1)[*:1] COCCc1nnc(S[C@@H](C)C(=O)N[*:1])n1N
Cc1nnc(SC2=CC(=O)N(c3ccc(Cl)cc3)C2=O)s1 Cc1nnc(s1)[*:1] O=C1C=C(S[*:1])C(=O)N1c1ccc(Cl)cc1
Cc1nnc(SC2=CC(=O)N(c3ccc(Cl)cc3)C2=O)s1 Clc1ccc(cc1)[*:1] Cc1nnc(SC2=CC(=O)N(C2=O)[*:1])s1
Cc1nnc(SC2=CC(=O)N(c3ccc(Cl)cc3)C2=O)s1 Cc1nnc(S[*:1])s1 O=C1C=C(C(=O)N1c1ccc(Cl)cc1)[*:1]
CCn1c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)nc2ccccc21 c1cnn(c1)[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[*:1]
CC(C)COc1ncc(CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1Cl Clc1cccc(c1)[*:1] CC(C)COc1ncc(cc1Cl)CNC(=O)C(=O)N[*:1]
CC(C)COc1ncc(CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1Cl CC(C)CO[*:1] O=C(NCc1cnc(c(Cl)c1)[*:1])C(=O)Nc1cccc(Cl)c1
CC(C)COc1ncc(CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1Cl CC(C)[*:1] O=C(NCc1cnc(OC[*:1])c(Cl)c1)C(=O)Nc1cccc(Cl)c1
CC(C)COc1ncc(CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1Cl CC(C)C[*:1] O=C(NCc1cnc(O[*:1])c(Cl)c1)C(=O)Nc1cccc(Cl)c1
CC(=O)c1ccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(-c5ccccc5)c43)c2=O)cc1 CC(=O)[*:1] Cc1cc(-c2ccccc2)c2c(n1)sc1c(=O)n(cnc12)CC(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(-c5ccccc5)c43)c2=O)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1cc(-c2ccccc2)c2c(n1)sc1c(=O)n(cnc12)CC(=O)N[*:1]
CC(=O)c1ccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(-c5ccccc5)c43)c2=O)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)Cn1cnc2c(sc3nc(C)cc(c32)[*:1])c1=O
Cc1ccc(CNc2ncnc(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2N)cc1 Cc1ccc(cc1)[*:1] CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(NC[*:1])c2N)C1
Cc1ccc(CNc2ncnc(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2N)cc1 Cc1ccc(cc1)C[*:1] CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(N[*:1])c2N)C1
Cc1ccc(CNc2ncnc(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2N)cc1 Cc1ccc(cc1)CN[*:1] CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(c2N)[*:1])C1
CC(C)COc1cncc(N2CCC[C@H](CCC(N)=O)C2)n1 CC(C)C[*:1] NC(=O)CC[C@H]1CCCN(C1)c1cncc(n1)O[*:1]
CC(C)COc1cncc(N2CCC[C@H](CCC(N)=O)C2)n1 NC(=O)C[*:1] CC(C)COc1cncc(n1)N1CCC[C@@H](C1)C[*:1]
CC(C)COc1cncc(N2CCC[C@H](CCC(N)=O)C2)n1 NC(=O)CC[*:1] CC(C)COc1cncc(n1)N1CCC[C@H](C1)[*:1]
CC(C)COc1cncc(N2CCC[C@H](CCC(N)=O)C2)n1 CC(C)[*:1] NC(=O)CC[C@H]1CCCN(C1)c1cncc(n1)OC[*:1]
CC(C)COc1cncc(N2CCC[C@H](CCC(N)=O)C2)n1 NC(=O)[*:1] CC(C)COc1cncc(n1)N1CCC[C@H](CC[*:1])C1
CC(C)COc1cncc(N2CCC[C@H](CCC(N)=O)C2)n1 CC(C)CO[*:1] NC(=O)CC[C@H]1CCCN(C1)c1cncc(n1)[*:1]
O=C(CCCNC(=O)c1ccnc2[nH]ccc12)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCCNC(=O)c1ccnc2[nH]ccc12)N[*:1]
Cn1cccc1C(=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cn1cccc1C(=O)N1CCN(CC1)[*:1]
Cn1cccc1C(=O)N1CCN(c2ccccc2Cl)CC1 Cn1cccc1[*:1] O=C(N1CCN(CC1)c1ccccc1Cl)[*:1]
CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc21 CCCC[*:1] CC(C)C[C@H]1NC(=O)c2ccccc2N(C1=O)[*:1]
CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc21 CC(C)C[*:1] CCCCN1C(=O)[C@@H](NC(=O)c2ccccc21)[*:1]
CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc21 CCC[*:1] CC(C)C[C@H]1NC(=O)c2ccccc2N(C[*:1])C1=O
CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc21 CC(C)[*:1] CCCCN1C(=O)[C@@H](C[*:1])NC(=O)c2ccccc21
COCCC(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1 COCC[*:1] O=C(N1CCC[C@](CO)(Cc2ccc(F)cc2)C1)[*:1]
COCCC(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1 COC[*:1] O=C(C[*:1])N1CCC[C@](CO)(Cc2ccc(F)cc2)C1
COCCC(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] COCCC(=O)N1CCC[C@@](CO)(C1)C[*:1]
CC1(C)CCN(C(=O)NCCCCCC(=O)[O-])C1 O=C([O-])CCC[*:1] CC1(C)CCN(C1)C(=O)NCC[*:1]
CC1(C)CCN(C(=O)NCCCCCC(=O)[O-])C1 O=C([O-])[*:1] CC1(C)CCN(C1)C(=O)NCCCCC[*:1]
CC1(C)CCN(C(=O)NCCCCCC(=O)[O-])C1 O=C([O-])CC[*:1] CC1(C)CCN(C1)C(=O)NCCC[*:1]
CC1(C)CCN(C(=O)NCCCCCC(=O)[O-])C1 O=C([O-])C[*:1] CC1(C)CCN(C1)C(=O)NCCCC[*:1]
CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cnc(C)s2)c1 Cc1ncc(s1)[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)N[C@H](C)[*:1]
CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2cnc(C)s2)c1 CNS(=O)(=O)[*:1] Cc1ncc(s1)[C@@H](C)N[C@@H](C)c1cccc(c1)[*:1]
Cc1cc(C)c2c(c1)/C(=N/NC(=O)Cn1ccc(C(F)(F)F)n1)CCC2 FC(F)(F)[*:1] Cc1cc(C)c2CCC/C(=N\NC(=O)Cn3ccc(n3)[*:1])c2c1
C[C@@H]1SCCN(CC2=CCCOC2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1SCCN(CC2=CCCOC2)[C@@H]1[*:1]
CCC[NH2+][C@@H]1CCN(Cc2cscc2C)C[C@@H]1C Cc1cscc1[*:1] CCC[NH2+][C@@H]1CCN(C[C@@H]1C)C[*:1]
CCC[NH2+][C@@H]1CCN(Cc2cscc2C)C[C@@H]1C CCC[*:1] Cc1cscc1CN1CC[C@@H]([NH2+][*:1])[C@@H](C)C1
CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(c1)OC)[*:1]
CCc1onc(C)c1NC(=O)N[C@H]1CCN(c2ncccc2F)C1 Fc1cccnc1[*:1] CCc1onc(C)c1NC(=O)N[C@H]1CCN(C1)[*:1]
CCc1onc(C)c1NC(=O)N[C@H]1CCN(c2ncccc2F)C1 CCc1onc(C)c1[*:1] O=C(N[C@H]1CCN(C1)c1ncccc1F)N[*:1]
CCCN(C[C@H]1CCCCO1)C(=O)NCCn1cccc1 c1ccn(c1)C[*:1] CCCN(C[C@H]1CCCCO1)C(=O)NC[*:1]
CCCN(C[C@H]1CCCCO1)C(=O)NCCn1cccc1 C1CC[C@@H](OC1)[*:1] CCCN(C[*:1])C(=O)NCCn1cccc1
CCCN(C[C@H]1CCCCO1)C(=O)NCCn1cccc1 c1ccn(c1)[*:1] CCCN(C[C@H]1CCCCO1)C(=O)NCC[*:1]
CCCN(C[C@H]1CCCCO1)C(=O)NCCn1cccc1 c1ccn(c1)CC[*:1] CCCN(C[C@H]1CCCCO1)C(=O)N[*:1]
CCCN(C[C@H]1CCCCO1)C(=O)NCCn1cccc1 C1CC[C@H](C[*:1])OC1 CCCN(C(=O)NCCn1cccc1)[*:1]
CCCN(C[C@H]1CCCCO1)C(=O)NCCn1cccc1 CCC[*:1] O=C(NCCn1cccc1)N(C[C@H]1CCCCO1)[*:1]
C[C@@H](C(=O)OCCCNC(N)=O)N1CCc2ccccc2C1 NC(=O)NC[*:1] C[C@@H](C(=O)OCC[*:1])N1CCc2ccccc2C1
C[C@@H](C(=O)OCCCNC(N)=O)N1CCc2ccccc2C1 NC(=O)NCC[*:1] C[C@@H](C(=O)OC[*:1])N1CCc2ccccc2C1
C[C@@H](C(=O)OCCCNC(N)=O)N1CCc2ccccc2C1 NC(=O)NCCC[*:1] C[C@@H](C(=O)O[*:1])N1CCc2ccccc2C1
C[C@@H](C(=O)OCCCNC(N)=O)N1CCc2ccccc2C1 NC(=O)N[*:1] C[C@@H](C(=O)OCCC[*:1])N1CCc2ccccc2C1
O=C(NCc1cccs1)N[C@H](c1nccs1)C1CC1 c1csc(n1)[*:1] O=C(NCc1cccs1)N[C@H](C1CC1)[*:1]
O=C(NCc1cccs1)N[C@H](c1nccs1)C1CC1 C1CC1[*:1] O=C(NCc1cccs1)N[C@H](c1nccs1)[*:1]
O=C(NCc1cccs1)N[C@H](c1nccs1)C1CC1 c1csc(c1)C[*:1] O=C(N[C@H](c1nccs1)C1CC1)N[*:1]
O=C(NCc1cccs1)N[C@H](c1nccs1)C1CC1 c1csc(c1)[*:1] O=C(NC[*:1])N[C@H](c1nccs1)C1CC1
C=CCn1cc(CN2Cc3[nH]c[nH+]c3C[C@@H]2C(=O)OC)c(C)n1 C=CC[*:1] COC(=O)[C@H]1Cc2[nH+]c[nH]c2CN1Cc1cn(nc1C)[*:1]
C=CCn1cc(CN2Cc3[nH]c[nH+]c3C[C@@H]2C(=O)OC)c(C)n1 COC(=O)[*:1] C=CCn1cc(CN2Cc3[nH]c[nH+]c3C[C@H]2[*:1])c(C)n1
CCOc1cccc([C@@H](C)NC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 CCO[*:1] C[C@@H](NC(=O)N[C@@H]1CCC[C@@H](C1)S(C)(=O)=O)c1cccc(c1)[*:1]
CCOc1cccc([C@@H](C)NC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] CCOc1cccc(c1)[C@@H](C)NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
FC(F)(F)c1nc2c([nH]1)CCCC2 FC(F)(F)[*:1] C1CCc2[nH]c(nc2C1)[*:1]
Cc1cc(OCCO[C@H]2CCCCO2)n2nc(C3CCOCC3)cc2n1 C1CC(CCO1)[*:1] Cc1cc(OCCO[C@H]2CCCCO2)n2nc(cc2n1)[*:1]
Cc1cc(OCCO[C@H]2CCCCO2)n2nc(C3CCOCC3)cc2n1 C1CC[C@@H](OC1)O[*:1] Cc1cc(OCC[*:1])n2nc(cc2n1)C1CCOCC1
Cc1cc(OCCO[C@H]2CCCCO2)n2nc(C3CCOCC3)cc2n1 C1CC[C@@H](OC1)[*:1] Cc1cc(OCCO[*:1])n2nc(cc2n1)C1CCOCC1
Cc1cc(OCCO[C@H]2CCCCO2)n2nc(C3CCOCC3)cc2n1 C1CC[C@@H](OC1)OC[*:1] Cc1cc(OC[*:1])n2nc(cc2n1)C1CCOCC1
C[C@@H]1CCC[C@H]1NS(=O)(=O)CC1CCC1 C1CC(C1)C[*:1] C[C@@H]1CCC[C@H]1NS(=O)(=O)[*:1]
C[C@@H]1CCC[C@H]1NS(=O)(=O)CC1CCC1 C1CC(C1)[*:1] C[C@@H]1CCC[C@H]1NS(=O)(=O)C[*:1]
CNc1c(C(=O)NC2CCOCC2)cccc1C(F)(F)F C1CC(CCO1)[*:1] CNc1c(cccc1C(F)(F)F)C(=O)N[*:1]
CNc1c(C(=O)NC2CCOCC2)cccc1C(F)(F)F FC(F)(F)[*:1] CNc1c(cccc1[*:1])C(=O)NC1CCOCC1
Fc1cccc(N2CCCC2)c1NCc1cnc(Cl)s1 C1CCN(C1)[*:1] Fc1cccc(c1NCc1cnc(Cl)s1)[*:1]
Fc1cccc(N2CCCC2)c1NCc1cnc(Cl)s1 Clc1ncc(s1)[*:1] Fc1cccc(c1NC[*:1])N1CCCC1
CC(C)COc1ccc(NC(=O)c2ccsc2)cc1Cl CC(C)CO[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1ccsc1
CC(C)COc1ccc(NC(=O)c2ccsc2)cc1Cl c1cc(cs1)[*:1] CC(C)COc1ccc(cc1Cl)NC(=O)[*:1]
CC(C)COc1ccc(NC(=O)c2ccsc2)cc1Cl CC(C)[*:1] O=C(Nc1ccc(OC[*:1])c(Cl)c1)c1ccsc1
CC(C)COc1ccc(NC(=O)c2ccsc2)cc1Cl CC(C)C[*:1] O=C(Nc1ccc(O[*:1])c(Cl)c1)c1ccsc1
NNc1cccc(CSCCCO)n1 OCC[*:1] NNc1cccc(CSC[*:1])n1
NNc1cccc(CSCCCO)n1 OCCC[*:1] NNc1cccc(CS[*:1])n1
Cc1c(C[NH+]2CCC(c3cc(C(=O)NCc4ccccn4)on3)CC2)cnn1C Cc1c(cnn1C)C[*:1] O=C(NCc1ccccn1)c1cc(no1)C1CC[NH+](CC1)[*:1]
Cc1c(C[NH+]2CCC(c3cc(C(=O)NCc4ccccn4)on3)CC2)cnn1C c1ccc(C[*:1])nc1 Cc1c(cnn1C)C[NH+]1CCC(CC1)c1cc(on1)C(=O)N[*:1]
Cc1c(C[NH+]2CCC(c3cc(C(=O)NCc4ccccn4)on3)CC2)cnn1C Cc1c(cnn1C)[*:1] O=C(NCc1ccccn1)c1cc(no1)C1CC[NH+](CC1)C[*:1]
Cc1c(C[NH+]2CCC(c3cc(C(=O)NCc4ccccn4)on3)CC2)cnn1C c1ccc(nc1)[*:1] Cc1c(cnn1C)C[NH+]1CCC(CC1)c1cc(on1)C(=O)NC[*:1]
Cc1nc2n(n1)CCC[C@H]2NC(=O)N(Cc1ccoc1)C1CCCCC1 c1cc(co1)[*:1] Cc1nc2[C@@H](CCCn2n1)NC(=O)N(C[*:1])C1CCCCC1
Cc1nc2n(n1)CCC[C@H]2NC(=O)N(Cc1ccoc1)C1CCCCC1 c1cc(co1)C[*:1] Cc1nc2[C@@H](CCCn2n1)NC(=O)N(C1CCCCC1)[*:1]
Cc1nc2n(n1)CCC[C@H]2NC(=O)N(Cc1ccoc1)C1CCCCC1 C1CCC(CC1)[*:1] Cc1nc2[C@@H](CCCn2n1)NC(=O)N(Cc1ccoc1)[*:1]
COc1ccc(CNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 COc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])N1C(=O)c2ccccc2C1=O
C[C@@H](Cc1ccsc1)[NH2+]CC1=CN=N[C@@H]1c1cc2ccccc2o1 c1cc(cs1)C[*:1] C[C@@H]([NH2+]CC1=CN=N[C@@H]1c1cc2ccccc2o1)[*:1]
C[C@@H](Cc1ccsc1)[NH2+]CC1=CN=N[C@@H]1c1cc2ccccc2o1 C[C@@H](Cc1ccsc1)[*:1] C1N=N[C@@H](C=1C[NH2+][*:1])c1cc2ccccc2o1
C[C@@H](Cc1ccsc1)[NH2+]CC1=CN=N[C@@H]1c1cc2ccccc2o1 c1cc(cs1)[*:1] C[C@@H](C[*:1])[NH2+]CC1=CN=N[C@@H]1c1cc2ccccc2o1
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C2CC2)o1 C[C@@H]1C[C@H]1[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N(Cc1ccc(o1)[*:1])C1CC1
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C2CC2)o1 C1CC1[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@@H]2CCCN(C2)C(N)=O)[*:1])o1
CC[C@@H](C)NC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4)nc23)CC1 Clc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)C1CCN(CC1)c1nnc(C)c2c(C)n(nc12)[*:1]
CC[C@@H](C)NC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4)nc23)CC1 CC[C@@H](C)NC(=O)[*:1] Cc1nnc(c2nn(-c3ccc(Cl)cc3)c(C)c12)N1CCC(CC1)[*:1]
Cc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCC3)cc1 Cc1ccc(cc1)[*:1] O[C@]1(CN(C2CCCC[N+]=21)[*:1])c1ccccc1
Cc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCC3)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@@](O)([N+]2CCCCC=21)[*:1]
Cc1ccccc1CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 CN(C)C(=O)CC[*:1] Cc1ccccc1CC(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] Cc1ccccc1CC(=O)Nc1ccc(cc1)CC[*:1]
Cc1ccccc1CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 CN(C)C(=O)C[*:1] Cc1ccccc1CC(=O)Nc1ccc(cc1)C[*:1]
Cc1ccccc1CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 Cc1ccccc1C[*:1] CN(C)C(=O)CCc1ccc(cc1)NC(=O)[*:1]
Cc1ccccc1CC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 Cc1ccccc1[*:1] CN(C)C(=O)CCc1ccc(cc1)NC(=O)C[*:1]
Cc1noc([C@@H]2CCCN2C(=O)c2ccccc2I)n1 Cc1noc(n1)[*:1] O=C(c1ccccc1I)N1CCC[C@H]1[*:1]
CCN(Cc1cnn(C)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCN(Cc1cnn(C)c1)C(=O)c1nc(n(n1)-c1ccccc1)[*:1]
CCN(Cc1cnn(C)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 Cn1cc(cn1)C[*:1] CCN(C(=O)c1nc(-c2ccccc2)n(n1)-c1ccccc1)[*:1]
CCN(Cc1cnn(C)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 Cn1cc(cn1)[*:1] CCN(C[*:1])C(=O)c1nc(-c2ccccc2)n(n1)-c1ccccc1
CCN(Cc1cnn(C)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCN(Cc1cnn(C)c1)C(=O)c1nc(-c2ccccc2)n(n1)[*:1]
CCC(=O)[C@@H](C)Cc1cccc(C)n1 CCC(=O)[*:1] Cc1cccc(C[C@H](C)[*:1])n1
Cc1n[nH]c(-n2cnnc2)c1NC(=O)c1ccccc1Cl c1nncn1[*:1] Cc1n[nH]c(c1NC(=O)c1ccccc1Cl)[*:1]
Cc1n[nH]c(-n2cnnc2)c1NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] Cc1n[nH]c(c1NC(=O)[*:1])-n1cnnc1
O=C([C@@H]1CC12CCOCC2)N1CC[C@@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C([C@@H]1CC12CCOCC2)N1CC[C@H](C1)O[*:1]
COc1ccc(CNC(=O)C2(c3cccs3)CCOCC2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CNC(=O)C1(CCOCC1)[*:1]
O=C([O-])c1ccnc(S[C@@H]2CCO[C@]3(CCOC3)C2)c1 O=C([O-])[*:1] c1cc(cc(n1)S[C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
COC(=O)c1ccc(C)c(OC(=O)c2cc(F)c(Cl)nc2Cl)c1 COC(=O)[*:1] Cc1ccc(cc1OC(=O)c1cc(F)c(Cl)nc1Cl)[*:1]
COC[C@H](C)NC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 COC[C@H](C)[*:1] O=C(N[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
COC[C@H](C)NC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 COC[*:1] C[C@H](NC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)n2cncn2)cc1Cl CCN(CC)C(=O)[*:1] C[C@H](C(=O)Nc1ccc(c(Cl)c1)[*:1])n1cncn1
CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)n2cncn2)cc1Cl c1ncn(n1)[*:1] CCN(CC)C(=O)c1ccc(cc1Cl)NC(=O)[C@@H](C)[*:1]
COC[C@](C)(CCO)[NH2+]Cc1cnc(C)cn1 OCC[*:1] COC[C@](C)([NH2+]Cc1cnc(C)cn1)[*:1]
COC[C@](C)(CCO)[NH2+]Cc1cnc(C)cn1 COC[*:1] Cc1cnc(cn1)C[NH2+][C@](C)(CCO)[*:1]
Cc1ccc(NC(=O)N2CCc3nc(-c4ccccc4)ncc3C2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)N1CCc2nc(ncc2C1)[*:1]
Cc1ccc(NC(=O)N2CCc3nc(-c4ccccc4)ncc3C2)cc1F Cc1ccc(cc1F)[*:1] O=C(N[*:1])N1CCc2nc(ncc2C1)-c1ccccc1
Cc1ccc([C@@H]2C[C@@H]2[NH2+]C[C@@H]2CNc3c(C(N)=O)cnn3C2)cc1C Cc1ccc(cc1C)[*:1] NC(=O)c1cnn2C[C@@H](CNc12)C[NH2+][C@H]1C[C@H]1[*:1]
Cc1ccc([C@@H]2C[C@@H]2[NH2+]C[C@@H]2CNc3c(C(N)=O)cnn3C2)cc1C NC(=O)[*:1] Cc1ccc(cc1C)[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CNc2c(cnn2C1)[*:1]
Cc1ccc(-n2cnnn2)cc1OCC(=O)[O-] c1nnnn1[*:1] Cc1ccc(cc1OCC(=O)[O-])[*:1]
Cc1ccc(-n2cnnn2)cc1OCC(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1OC[*:1])-n1cnnn1
Cc1ccc(-n2cnnn2)cc1OCC(=O)[O-] O=C([O-])C[*:1] Cc1ccc(cc1O[*:1])-n1cnnn1
Cc1ccc(-n2cnnn2)cc1OCC(=O)[O-] O=C([O-])CO[*:1] Cc1ccc(cc1[*:1])-n1cnnn1
CS[C@H]1CC[C@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)C1 CC(=O)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)C1C[C@H](N(N=1)c1ccccc1)[*:1]
CS[C@H]1CC[C@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)C1 c1ccc(cc1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)C1C[C@H](C(C)=O)N(N=1)[*:1]
Cc1nonc1CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)CCC2 Cc1nonc1[*:1] Cc1nc(nc2c1CCCN2CC1CCCCC1)[C@@H]1CCCN1C(=O)C[*:1]
Cc1nonc1CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)CCC2 C1CCC(CC1)C[*:1] Cc1nonc1CC(=O)N1CCC[C@H]1c1nc(C)c2CCCN(c2n1)[*:1]
Cc1nonc1CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)CCC2 C1CCC(CC1)[*:1] Cc1nonc1CC(=O)N1CCC[C@H]1c1nc(C)c2CCCN(C[*:1])c2n1
Cc1nonc1CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)CCC2 Cc1nonc1C[*:1] Cc1nc(nc2c1CCCN2CC1CCCCC1)[C@@H]1CCCN1C(=O)[*:1]
COc1cc(-c2cccc(OCc3ccccc3)c2)ccc1O c1ccc(cc1)C[*:1] COc1cc(ccc1O)-c1cccc(c1)O[*:1]
COc1cc(-c2cccc(OCc3ccccc3)c2)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)-c1cccc(c1)OC[*:1]
O=[S@@](CC[NH2+]CCn1cccn1)c1ccccc1 c1ccc(cc1)[*:1] O=[S@@](CC[NH2+]CCn1cccn1)[*:1]
O=[S@@](CC[NH2+]CCn1cccn1)c1ccccc1 c1cnn(c1)[*:1] O=[S@@](CC[NH2+]CC[*:1])c1ccccc1
O=[S@@](CC[NH2+]CCn1cccn1)c1ccccc1 c1cnn(c1)C[*:1] O=[S@@](CC[NH2+]C[*:1])c1ccccc1
CCC(=O)Nc1cccc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)c1 Fc1ccccc1[*:1] CCC(=O)Nc1cccc(c1)NC(=O)N1CCO[C@H](C1)[*:1]
CCC(=O)Nc1cccc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)c1 CCC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])N1CCO[C@@H](C1)c1ccccc1F
Cc1ccc(CN2C(=O)N/C(=C\c3ccccc3I)C2=O)cc1 Ic1ccccc1[*:1] Cc1ccc(cc1)CN1C(=O)NC(=C[*:1])C1=O
Cc1ccc(CN2C(=O)N/C(=C\c3ccccc3I)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1N/C(=C\c2ccccc2I)C(=O)N1C[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCCc2ccccn2)cc1 c1ccc(nc1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)C(=O)NCC[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCCc2ccccn2)cc1 c1ccc(C[*:1])nc1 C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)C(=O)NC[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NCCc2ccccn2)cc1 c1ccc(CC[*:1])nc1 C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)C(=O)N[*:1]
CCCCN1C(=O)[C@H](C(=O)Nc2nc3ccc(Cl)cc3s2)[C@@H](O)c2ccccc21 CCCC[*:1] O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1C(=O)N(c2ccccc2[C@@H]1O)[*:1]
CCCCN1C(=O)[C@H](C(=O)Nc2nc3ccc(Cl)cc3s2)[C@@H](O)c2ccccc21 CCC[*:1] O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1C(=O)N(C[*:1])c2ccccc2[C@@H]1O
Cc1nc2cc(NC(=O)C(=O)N(C)CCc3nccs3)ccc2o1 c1csc(CC[*:1])n1 Cc1nc2cc(ccc2o1)NC(=O)C(=O)N(C)[*:1]
Cc1nc2cc(NC(=O)C(=O)N(C)CCc3nccs3)ccc2o1 c1csc(C[*:1])n1 Cc1nc2cc(ccc2o1)NC(=O)C(=O)N(C)C[*:1]
Cc1nc2cc(NC(=O)C(=O)N(C)CCc3nccs3)ccc2o1 c1csc(n1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N(C)CC[*:1]
CN(C)C(=O)c1cccc(NC(=O)N(CCO)Cc2ccsc2)c1 c1cc(cs1)C[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)N(CCO)[*:1]
CN(C)C(=O)c1cccc(NC(=O)N(CCO)Cc2ccsc2)c1 c1cc(cs1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)N(CCO)C[*:1]
CN(C)C(=O)c1cccc(NC(=O)N(CCO)Cc2ccsc2)c1 CN(C)C(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N(CCO)Cc1ccsc1
CN(C)C(=O)c1cccc(NC(=O)N(CCO)Cc2ccsc2)c1 OCC[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)N(Cc1ccsc1)[*:1]
C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc(CC#N)cc1 CC(C)(C)C[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1ccc(cc1)CC#N
C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc(CC#N)cc1 CC(C)(C)[*:1] C[C@H](CC[*:1])NC(=O)C(=O)Nc1ccc(cc1)CC#N
C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccc(CC#N)cc1 CC(C)(C)CC[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)CC#N)[*:1]
N#Cc1cc2c(nc1NC(=O)Cc1ccccc1OC(F)F)CCC2 FC(F)[*:1] N#Cc1cc2CCCc2nc1NC(=O)Cc1ccccc1O[*:1]
N#Cc1cc2c(nc1NC(=O)Cc1ccccc1OC(F)F)CCC2 FC(F)O[*:1] N#Cc1cc2CCCc2nc1NC(=O)Cc1ccccc1[*:1]
COc1cc(C)ccc1NCc1nnc(C2CC2)o1 C1CC1[*:1] COc1cc(C)ccc1NCc1nnc(o1)[*:1]
CC(C)OC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 CC(C)[*:1] O=C(Cn1cc(cn1)C(=O)O[*:1])NC1CCCCC1
CC(C)OC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] CC(C)OC(=O)c1cnn(c1)CC(=O)N[*:1]
CC(C)OC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 CC(C)OC(=O)[*:1] O=C(Cn1cc(cn1)[*:1])NC1CCCCC1
O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)Nc1ccc2c(c1)CCC2 FC(F)(F)[*:1] O=C(Cn1nc(c(Br)c1C1CC1)[*:1])Nc1ccc2CCCc2c1
O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)Nc1ccc2c(c1)CCC2 C1CC1[*:1] O=C(Cn1nc(c(Br)c1[*:1])C(F)(F)F)Nc1ccc2CCCc2c1
O=[N+]([O-])c1ccc2nc(C(F)(F)C(F)F)[n-]c2c1 FC(F)[*:1] O=[N+]([O-])c1ccc2nc([n-]c2c1)C(F)(F)[*:1]
O=[N+]([O-])c1ccc2nc(C(F)(F)C(F)F)[n-]c2c1 FC(F)C(F)(F)[*:1] O=[N+]([O-])c1ccc2nc([n-]c2c1)[*:1]
O=[N+]([O-])c1ccc2nc(C(F)(F)C(F)F)[n-]c2c1 O=[N+]([O-])[*:1] FC(F)C(F)(F)c1nc2ccc(cc2[n-]1)[*:1]
COc1ccccc1COc1cccc(NC(=O)C2CC2)c1C O=C(N[*:1])C1CC1 COc1ccccc1COc1cccc(c1C)[*:1]
COc1ccccc1COc1cccc(NC(=O)C2CC2)c1C C1CC1[*:1] COc1ccccc1COc1cccc(NC(=O)[*:1])c1C
CCC(CC)[C@@H](C(=O)[O-])S(=O)(=O)c1cccc(OC)c1 CCC(CC)[*:1] COc1cccc(c1)S(=O)(=O)[C@H](C(=O)[O-])[*:1]
CCC(CC)[C@@H](C(=O)[O-])S(=O)(=O)c1cccc(OC)c1 O=C([O-])[*:1] CCC(CC)[C@@H](S(=O)(=O)c1cccc(c1)OC)[*:1]
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1C[C@H]1CCCO1)[*:1])C(=O)Nc1ccc2OCOc2c1
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)N[*:1]
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 C1CO[C@H](C1)C[*:1] C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1[*:1])C(=O)Nc1ccc2OCOc2c1
CCSc1nnc(SCC(=O)Nc2ccc(C)cc2C)s1 CCS[*:1] Cc1ccc(NC(=O)CSc2nnc(s2)[*:1])c(C)c1
Cc1cc(CSCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)on1 Cc1cc(on1)[*:1] C[C@H]1CCC[C@H](NC(=O)CSC[*:1])[C@H]1C
Cc1cc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)c2ncccc2c1 Fc1cccc(c1)[*:1] Cc1cc(NC(=O)N2CCO[C@H](C2)[*:1])c2ncccc2c1
Cc1ccnc(NC(=O)CN(C)c2ccc3nnc(C4CC4)n3n2)c1 Cc1ccnc(c1)[*:1] CN(CC(=O)N[*:1])c1ccc2nnc(C3CC3)n2n1
Cc1ccnc(NC(=O)CN(C)c2ccc3nnc(C4CC4)n3n2)c1 C1CC1[*:1] Cc1ccnc(c1)NC(=O)CN(C)c1ccc2nnc(n2n1)[*:1]
CCCC[C@@H](C(=O)OC)C(=O)c1ncccn1 COC(=O)[*:1] CCCC[C@@H](C(=O)c1ncccn1)[*:1]
CCCC[C@@H](C(=O)OC)C(=O)c1ncccn1 CCCC[*:1] COC(=O)[C@@H](C(=O)c1ncccn1)[*:1]
CCCC[C@@H](C(=O)OC)C(=O)c1ncccn1 CCC[*:1] COC(=O)[C@H](C[*:1])C(=O)c1ncccn1
CCO[C@@H]1CCCN(C(=O)NCc2cccc(C(=O)N[C@H](C)CC)c2)C1 CCO[*:1] CC[C@@H](C)NC(=O)c1cccc(c1)CNC(=O)N1CCC[C@H](C1)[*:1]
CCO[C@@H]1CCCN(C(=O)NCc2cccc(C(=O)N[C@H](C)CC)c2)C1 CC[C@@H](C)[*:1] CCO[C@@H]1CCCN(C1)C(=O)NCc1cccc(c1)C(=O)N[*:1]
CCO[C@@H]1CCCN(C(=O)NCc2cccc(C(=O)N[C@H](C)CC)c2)C1 CC[C@@H](C)NC(=O)[*:1] CCO[C@@H]1CCCN(C1)C(=O)NCc1cccc(c1)[*:1]
CC(C)(C)C1CCN(C(=O)[C@H]2CCCCC[C@H]2[NH3+])CC1 CC(C)(C)[*:1] [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC(CC1)[*:1]
Fc1ccc([C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C2CCCC2)cc1 C1CCC(C1)[*:1] Fc1ccc(cc1)[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[*:1]
Fc1ccc([C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C2CCCC2)cc1 Fc1ccc(cc1)[*:1] c1[nH]nc2CC[C@H](Cc12)[NH2+][C@@H](C1CCCC1)[*:1]
CCO[C@H](CC)C(=O)N(C)C1CCN(c2cccc(F)c2)CC1 CCO[*:1] CC[C@H](C(=O)N(C)C1CCN(CC1)c1cccc(F)c1)[*:1]
CCO[C@H](CC)C(=O)N(C)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CCO[C@H](CC)C(=O)N(C)C1CCN(CC1)[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1F CC(C)NS(=O)(=O)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(c1)[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1F CC(C)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(c1)S(=O)(=O)N[*:1]
Cc1cc(NC(=O)C2=CCCCO2)n(-c2ccccc2F)n1 Fc1ccccc1[*:1] Cc1cc(NC(=O)C2=CCCCO2)n(n1)[*:1]
Cn1nc(C(C)(C)C)cc1/C([O-])=N/S(=O)(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cn1nc(cc1/C([O-])=N/S(=O)(=O)c1cccc(c1)[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1/C([O-])=N/S(=O)(=O)c1cccc(C(F)(F)F)c1 CC(C)(C)[*:1] Cn1nc(cc1/C([O-])=N/S(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
CCOc1ccc(Br)cc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 CCO[*:1] O=C(Nc1cccc(c1)OC[C@@H]1CCCO1)c1cc(Br)ccc1[*:1]
CCOc1ccc(Br)cc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] CCOc1ccc(Br)cc1C(=O)Nc1cccc(c1)[*:1]
C[C@H]1CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)C[C@H]1O c1cnn(c1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)Nc1cccc(Cl)c1[*:1]
O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)C(F)F)cc1 c1ccc2[nH]c(nc2c1)[*:1] O=C(N[C@H](Cc1ccccc1)[*:1])c1ccc(cc1)S(=O)(=O)C(F)F
O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(cc1)S(=O)(=O)[*:1]
O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)C(F)F)cc1 c1ccc(cc1)C[*:1] O=C(N[C@H](c1nc2ccccc2[nH]1)[*:1])c1ccc(cc1)S(=O)(=O)C(F)F
O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)C(F)F)cc1 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])c1nc2ccccc2[nH]1)c1ccc(cc1)S(=O)(=O)C(F)F
O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(cc1)[*:1]
CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)N1CCC[C@H](C)C1 Brc1ccccc1[*:1] CCCN([C@@H](C)[*:1])S(=O)(=O)N1CCC[C@H](C)C1
CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)N1CCC[C@H](C)C1 CCC[*:1] C[C@H]1CCCN(C1)S(=O)(=O)N([C@@H](C)c1ccccc1Br)[*:1]
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] CCN(CC)S(=O)(=O)c1ccc(F)c(c1)C(=O)N1CCC[C@@H]1[*:1]
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]2C(=O)[O-])c1 CCN(CC)S(=O)(=O)[*:1] O=C([O-])[C@@H]1CCCN1C(=O)c1cc(ccc1F)[*:1]
Cc1ccc(C)c2nc3c(cc12)C[NH+](Cc1ccco1)CCO3 c1coc(c1)[*:1] Cc1ccc(C)c2nc3OCC[NH+](Cc3cc12)C[*:1]
Cc1ccc(C)c2nc3c(cc12)C[NH+](Cc1ccco1)CCO3 c1coc(c1)C[*:1] Cc1ccc(C)c2nc3OCC[NH+](Cc3cc12)[*:1]
Cc1cc(CN2CCOC[C@H]2C2CC2)c(C)n1CCN1CCOCC1 C1CC1[*:1] Cc1cc(CN2CCOC[C@@H]2[*:1])c(C)n1CCN1CCOCC1
Cc1cc(CN2CCOC[C@H]2C2CC2)c(C)n1CCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1cc(CN2CCOC[C@H]2C2CC2)c(C)n1[*:1]
Cc1cc(CN2CCOC[C@H]2C2CC2)c(C)n1CCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1cc(CN2CCOC[C@H]2C2CC2)c(C)n1C[*:1]
Cc1cc(CN2CCOC[C@H]2C2CC2)c(C)n1CCN1CCOCC1 C1CN(CCO1)[*:1] Cc1cc(CN2CCOC[C@H]2C2CC2)c(C)n1CC[*:1]
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1 CO[C@@H](C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1cccc(c1)NC(=O)[*:1]
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1 CO[C@@H](C)C(=O)N[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1cccc(c1)[*:1]
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl c1ccc(cc1)C[*:1] COC(=O)[C@H](NC(=O)c1cc(ccc1Cl)N1C(=O)CCS1(=O)=O)[*:1]
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl COC(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1cc(ccc1Cl)N1C(=O)CCS1(=O)=O
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl O=C1CCS(=O)(=O)N1[*:1] COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(ccc1Cl)[*:1]
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl c1ccc(cc1)[*:1] COC(=O)[C@H](C[*:1])NC(=O)c1cc(ccc1Cl)N1C(=O)CCS1(=O)=O
COc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(C)C2(C)C)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)N1CC(C)(C)C1(C)C)[*:1]
Cc1cc2occ(CC(=O)NNC(=O)C[C@H]3CCS(=O)(=O)C3)c2cc1C(C)C CC(C)[*:1] Cc1cc2occ(CC(=O)NNC(=O)C[C@H]3CCS(=O)(=O)C3)c2cc1[*:1]
CNC(=O)c1ccc(N2CCO[C@@H](c3ccccc3Cl)C2)nn1 CNC(=O)[*:1] Clc1ccccc1[C@H]1CN(CCO1)c1ccc(nn1)[*:1]
CNC(=O)c1ccc(N2CCO[C@@H](c3ccccc3Cl)C2)nn1 Clc1ccccc1[*:1] CNC(=O)c1ccc(nn1)N1CCO[C@@H](C1)[*:1]
Cc1c(C(=O)N(C)c2ccc(Cl)cn2)sc2ccccc12 Clc1ccc(nc1)[*:1] Cc1c(sc2ccccc12)C(=O)N(C)[*:1]
O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)N1CCCC1=O)[C@H](O)[*:1]
O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H](O)c1ccccc1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H](O)c1ccccc1
C[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1ccc(-n2cncn2)cc1 C[C@H](C1CC1)[*:1] C[C@H](NC(=O)N(Cc1ccccc1)[*:1])c1ccc(cc1)-n1cncn1
C[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1ccc(-n2cncn2)cc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N([C@H](C)C1CC1)[*:1])c1ccc(cc1)-n1cncn1
C[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1ccc(-n2cncn2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N(C[*:1])[C@H](C)C1CC1)c1ccc(cc1)-n1cncn1
C[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1ccc(-n2cncn2)cc1 C1CC1[*:1] C[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)[*:1])c1ccc(cc1)-n1cncn1
CC(C)CCNC(=O)NCC(C)(C)C[C@H](C)O CC(C)CC[*:1] C[C@H](O)CC(C)(C)CNC(=O)N[*:1]
CC(C)CCNC(=O)NCC(C)(C)C[C@H](C)O CC(C)C[*:1] C[C@H](O)CC(C)(C)CNC(=O)NC[*:1]
CC(C)CCNC(=O)NCC(C)(C)C[C@H](C)O C[C@H](O)[*:1] CC(C)CCNC(=O)NCC(C)(C)C[*:1]
CC(C)CCNC(=O)NCC(C)(C)C[C@H](C)O CC(C)[*:1] C[C@H](O)CC(C)(C)CNC(=O)NCC[*:1]
CC(C)CCNC(=O)NCC(C)(C)C[C@H](C)O C[C@H](O)C[*:1] CC(C)CCNC(=O)NCC(C)(C)[*:1]
C[C@H](NC(=O)c1ccc(-n2cnc3cccnc32)cc1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C[C@H](NC(=O)c1ccc(cc1)-n1cnc2cccnc21)[*:1]
C[C@H](NC(=O)c1ccc(-n2cnc3cccnc32)cc1)c1ccc2c(c1)OCCO2 c1cnc2c(c1)ncn2[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccc2OCCOc2c1
CNC(=O)CS(=O)(=O)c1cccc(F)c1 CNC(=O)[*:1] O=S(=O)(C[*:1])c1cccc(F)c1
CNC(=O)CS(=O)(=O)c1cccc(F)c1 CNC(=O)C[*:1] O=S(=O)(c1cccc(F)c1)[*:1]
CC(C)[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1 Clc1csc(c1)[*:1] CC(C)[C@@H]([NH2+]C[*:1])c1ccccc1
CC(C)[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1 CC(C)[*:1] Clc1csc(c1)C[NH2+][C@@H](c1ccccc1)[*:1]
CC(C)[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H]([NH2+]Cc1cc(Cl)cs1)[*:1]
CC(C)c1nn(C)c2sc(C(=O)Nc3nc[nH]n3)cc12 c1nc(n[nH]1)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N[*:1]
CC(C)c1nn(C)c2sc(C(=O)Nc3nc[nH]n3)cc12 CC(C)[*:1] Cn1nc(c2cc(sc21)C(=O)Nc1nc[nH]n1)[*:1]
Cc1ccc(NC(=O)/C=C/C2CC2)cc1NC(=O)c1ccncc1 O=C(/C=C/C1CC1)N[*:1] Cc1ccc(cc1NC(=O)c1ccncc1)[*:1]
Cc1ccc(NC(=O)/C=C/C2CC2)cc1NC(=O)c1ccncc1 C(=C[*:1])C1CC1 Cc1ccc(cc1NC(=O)c1ccncc1)NC(=O)[*:1]
Cc1ccc(NC(=O)/C=C/C2CC2)cc1NC(=O)c1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)[*:1])NC(=O)/C=C/C1CC1
Cc1ccc(NC(=O)/C=C/C2CC2)cc1NC(=O)c1ccncc1 C1CC1[*:1] Cc1ccc(cc1NC(=O)c1ccncc1)NC(=O)C=C[*:1]
C=C(Cl)Cc1ccccn1 C=C(Cl)[*:1] c1ccc(C[*:1])nc1
CC(C)(C(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C(=O)N1CCc2ccc(cc21)[N+](=O)[O-])[*:1]
CC(C)(C(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 O=[N+]([O-])[*:1] CC(C)(C(=O)N1CCc2ccc(cc21)[*:1])c1ccccc1
CCOC(=O)C1(C)CCN(C(=O)NCc2ncc(C(C)(C)C)o2)CC1 CC(C)(C)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)NCc1ncc(o1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)NCc2ncc(C(C)(C)C)o2)CC1 CCOC(=O)[*:1] CC(C)(C)c1cnc(CNC(=O)N2CCC(C)(CC2)[*:1])o1
CNC(=O)NCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 CNC(=O)N[*:1] O=C(C[*:1])N1CCc2cc(Cl)cc(Cl)c2C1
CNC(=O)NCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 CNC(=O)NC[*:1] O=C(N1CCc2cc(Cl)cc(Cl)c2C1)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)C1=O c1ccc(cc1)C[*:1] C[C@]1(C[*:1])NC(=O)N(CC(=O)Nc2ccc(cc2)-c2nnc3CCCCCn32)C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)C1=O c1ccc(cc1)CC[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)-c2nnc3CCCCCn32)C1=O)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)C1=O C1CCc2nnc(n2CC1)[*:1] C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)C1=O c1ccc(cc1)[*:1] C[C@]1(CC[*:1])NC(=O)N(CC(=O)Nc2ccc(cc2)-c2nnc3CCCCCn32)C1=O
Cc1noc(/C=C\c2ccc3c(c2)n(C)c(=O)n3C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1noc(/C=C\c2ccc3c(c2)n(C)c(=O)n3C)c1[*:1]
O=C(NCCN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccsc1 O=C1CCC(=O)N1C[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])c1ccsc1
O=C(NCCN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccsc1 O=C(N[*:1])c1ccsc1 O=C(CN1C(=O)CCC1=O)N1CCN(CC1)CC[*:1]
O=C(NCCN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccsc1 O=C1CCC(=O)N1[*:1] O=C(NCCN1CCN(CC1)C(=O)C[*:1])c1ccsc1
O=C(NCCN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccsc1 c1cc(cs1)[*:1] O=C(CN1C(=O)CCC1=O)N1CCN(CCNC(=O)[*:1])CC1
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] C[C@H](Sc1nnc(o1)-c1ccccc1)C(=O)N1CCC[C@H]1[*:1]
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)N1CCC[C@@H]1c1cccs1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)N1CCC[C@@H]1c1cccs1
Cc1ccccc1NC(=O)N1CCCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 Cc1ccccc1[*:1] O=C(N[*:1])N1CCCN(CC1)c1ccc(=O)n(n1)-c1ccccc1
Cc1ccccc1NC(=O)N1CCCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)N1CCCN(CC1)c1ccc(=O)n(n1)[*:1]
Cc1ccc(NC(=O)[C@H](C)n2ncc(-c3ccccc3)nc2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H](C)n1ncc(nc1=O)[*:1]
Cc1ccc(NC(=O)[C@H](C)n2ncc(-c3ccccc3)nc2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])n1ncc(nc1=O)-c1ccccc1
O=C1CCN(C2CC2)c2cc(F)ccc2N1 C1CC1[*:1] O=C1CCN(c2cc(F)ccc2N1)[*:1]
COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)CC(C)C)c2ncnn21 CC(C)[*:1] COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)C[*:1])c2ncnn21
COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)CC(C)C)c2ncnn21 CC(C)C[*:1] COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)[*:1])c2ncnn21
COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)CC(C)C)c2ncnn21 Clc1ccc(cc1)[*:1] COc1ccccc1[C@H]1C[C@H](N(C(=O)CC(C)C)c2ncnn21)[*:1]
COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)CC(C)C)c2ncnn21 COc1ccccc1[*:1] CC(C)CC(=O)N1c2ncnn2[C@H](C[C@@H]1c1ccc(Cl)cc1)[*:1]
COc1cccc(/C=C/C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)c1 Fc1cccc(c1)[*:1] COc1cccc(/C=C/C(=O)N[C@@H](c2nccn2C)[*:1])c1
COc1cccc(/C=C/C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(/C=C/C(=O)N[C@@H](c2cccc(F)c2)[*:1])c1
COc1cccc(/C=C/C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)c1 COc1cccc(c1)[*:1] Cn1ccnc1[C@@H](NC(=O)C=C[*:1])c1cccc(F)c1
CS(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
CS(=O)(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 CS(=O)(=O)N[*:1] Clc1ccc(cc1)[C@H](c1ccccc1)[*:1]
COC(=O)c1coc(S(=O)(=O)Nc2c(C)n[nH]c2C)c1 COC(=O)[*:1] Cc1n[nH]c(C)c1NS(=O)(=O)c1cc(co1)[*:1]
Cc1cccc(CC(=O)N2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)c1 Cc1cccc(c1)C[*:1] O=C(NC1CCCC1)c1cn(nn1)C1CCN(CC1)C(=O)[*:1]
Cc1cccc(CC(=O)N2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)c1 C1CCC(C1)[*:1] Cc1cccc(c1)CC(=O)N1CCC(CC1)n1cc(nn1)C(=O)N[*:1]
Cc1cccc(CC(=O)N2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)c1 O=C(NC1CCCC1)[*:1] Cc1cccc(c1)CC(=O)N1CCC(CC1)n1cc(nn1)[*:1]
Cc1cccc(CC(=O)N2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NC1CCCC1)c1cn(nn1)C1CCN(CC1)C(=O)C[*:1]
CCc1nc(CC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cs1 CCc1nc(cs1)C[*:1] O=C(Nc1nc(cs1)C[NH+]1CCCCCC1)[*:1]
CCc1nc(CC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cs1 CCc1nc(cs1)[*:1] O=C(C[*:1])Nc1nc(cs1)C[NH+]1CCCCCC1
Cc1cccc(-n2ncc3c2N=C(O)C[C@]32C(=O)N(CC(N)=O)c3ccccc32)c1C NC(=O)[*:1] Cc1cccc(c1C)-n1ncc2c1N=C(O)C[C@]21C(=O)N(C[*:1])c2ccccc21
Cc1cccc(-n2ncc3c2N=C(O)C[C@]32C(=O)N(CC(N)=O)c3ccccc32)c1C Cc1cccc(c1C)[*:1] NC(=O)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3[*:1])c2ccccc21
Cc1cccc(-n2ncc3c2N=C(O)C[C@]32C(=O)N(CC(N)=O)c3ccccc32)c1C NC(=O)C[*:1] Cc1cccc(c1C)-n1ncc2c1N=C(O)C[C@]21C(=O)N(c2ccccc21)[*:1]
Cc1csc2nc(CS(=O)(=O)CCC(=O)Nc3ccc(F)cc3)cc(=O)n12 Fc1ccc(cc1)[*:1] Cc1csc2nc(cc(=O)n12)CS(=O)(=O)CCC(=O)N[*:1]
CC(C)C[C@@H](NC(=O)c1cccnc1)C(=O)[O-] CC(C)[*:1] O=C(N[C@H](C[*:1])C(=O)[O-])c1cccnc1
CC(C)C[C@@H](NC(=O)c1cccnc1)C(=O)[O-] CC(C)C[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])c1cccnc1
CC(C)C[C@@H](NC(=O)c1cccnc1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](NC(=O)c1cccnc1)[*:1]
CC[C@H](C)C[NH+]1CCN(CCC(C)C)CC1 CC(C)C[*:1] CC[C@H](C)C[NH+]1CCN(CC1)C[*:1]
CC[C@H](C)C[NH+]1CCN(CCC(C)C)CC1 CC[C@H](C)[*:1] CC(C)CCN1CC[NH+](CC1)C[*:1]
CC[C@H](C)C[NH+]1CCN(CCC(C)C)CC1 CC(C)[*:1] CC[C@H](C)C[NH+]1CCN(CC1)CC[*:1]
CC[C@H](C)C[NH+]1CCN(CCC(C)C)CC1 CC(C)CC[*:1] CC[C@H](C)C[NH+]1CCN(CC1)[*:1]
CCC[NH2+][C@@H]([C@@H]1CSCCS1)[C@H]1CCCc2cccnc21 CCC[*:1] c1cnc2c(c1)CCC[C@@H]2[C@@H]([NH2+][*:1])[C@@H]1CSCCS1
COc1cc(OC)c(F)c(N2Cc3cnc([S@@](C)=O)nc3N(C3CCCC3)C2=O)c1F C1CCC(C1)[*:1] COc1cc(OC)c(F)c(c1F)N1Cc2cnc(nc2N(C1=O)[*:1])[S@@](C)=O
CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C)n[nH]2)cc1 Cc1cc([nH]n1)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C)n[nH]2)cc1 CCN(CC)C(=O)[*:1] Cc1cc([nH]n1)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)C1(NC(=O)c2cc3cc(C)ccc3o2)CCSCC1 COC(=O)[*:1] Cc1ccc2oc(cc2c1)C(=O)NC1(CCSCC1)[*:1]
Cc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@@H](C)[C@H](C)C1 O=C([O-])[*:1] Cc1cc(ccc1NC(=O)N1C[C@@H](C)[C@H](C)C1)[*:1]
COc1ccccc1NC(=O)[C@H]1CCCN(c2nc3ccc(F)cc3s2)C1 COc1ccccc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2ccc(F)cc2s1
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[*:1]
COc1ccc(COc2ccc(CO)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])COc1ccc(cc1)CO
C/C=C(/C)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 C/C=C(/C)C(=O)N[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccco1
C/C=C(/C)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] C/C=C(/C)C(=O)NCc1ccc(cc1)NC(=O)[*:1]
C/C=C(/C)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 CC=C(C)[*:1] O=C(Nc1ccc(cc1)CNC(=O)[*:1])c1ccco1
O=C1C[C@@H](c2ccccc2)[C@@H](c2cccc(Cl)c2)C(=O)N1 Clc1cccc(c1)[*:1] O=C1C[C@@H](c2ccccc2)[C@@H](C(=O)N1)[*:1]
O=C1C[C@@H](c2ccccc2)[C@@H](c2cccc(Cl)c2)C(=O)N1 c1ccc(cc1)[*:1] O=C1C[C@@H]([C@H](C(=O)N1)c1cccc(Cl)c1)[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cncc(C(=O)NC)c1 CNC(=O)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cncc(c1)[*:1]
CCN1CCN(CC(=O)NCCc2ccc[nH]2)C(=O)C1=O c1c[nH]c(c1)C[*:1] CCN1CCN(CC(=O)NC[*:1])C(=O)C1=O
CCN1CCN(CC(=O)NCCc2ccc[nH]2)C(=O)C1=O c1c[nH]c(c1)CC[*:1] CCN1CCN(CC(=O)N[*:1])C(=O)C1=O
CCN1CCN(CC(=O)NCCc2ccc[nH]2)C(=O)C1=O c1c[nH]c(c1)[*:1] CCN1CCN(CC(=O)NCC[*:1])C(=O)C1=O
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(C)c2)cc1 Cn1cc(ccc1=O)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(C)c2)cc1 CCN(CC)S(=O)(=O)[*:1] Cn1cc(ccc1=O)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCc1noc(Cc2cccc(F)c2F)n1)c1ccccc1 Fc1cccc(c1F)[*:1] O=C(NCc1noc(C[*:1])n1)c1ccccc1
O=C(NCc1noc(Cc2cccc(F)c2F)n1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1noc(Cc2cccc(F)c2F)n1)[*:1]
Cn1cc([C@@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)cn1 CC(C)(C)[*:1] Cn1cc(cn1)[C@@H]1SCC(O)=Nc2c1cnn2[*:1]
Cn1cc([C@@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)cn1 Cn1cc(cn1)[*:1] CC(C)(C)n1ncc2c1N=C(O)CS[C@H]2[*:1]
COCCCC(=O)NCc1ccc(C)cc1N(C)C COCCC[*:1] Cc1ccc(CNC(=O)[*:1])c(c1)N(C)C
COCCCC(=O)NCc1ccc(C)cc1N(C)C COCC[*:1] Cc1ccc(CNC(=O)C[*:1])c(c1)N(C)C
COCCCC(=O)NCc1ccc(C)cc1N(C)C COC[*:1] Cc1ccc(CNC(=O)CC[*:1])c(c1)N(C)C
COCCCC(=O)NCc1ccc(C)cc1N(C)C CN(C)[*:1] COCCCC(=O)NCc1ccc(C)cc1[*:1]
COCc1nc(CSCc2nsc(N(C)C)n2)cs1 CN(C)[*:1] COCc1nc(cs1)CSCc1nsc(n1)[*:1]
COCc1nc(CSCc2nsc(N(C)C)n2)cs1 COC[*:1] CN(C)c1nc(CSCc2csc(n2)[*:1])ns1
Cc1ccc([N+](=O)[O-])cc1-n1cccc1C=O O=[N+]([O-])[*:1] Cc1ccc(cc1-n1cccc1C=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2ccc(Cl)nn2)C1 Clc1ccc(C[*:1])nn1 CC(C)(C)OC(=O)N1CCC[C@@H](CCO[*:1])C1
CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2ccc(Cl)nn2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](CCOCc2ccc(Cl)nn2)C1
CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2ccc(Cl)nn2)C1 Clc1ccc(nn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](CCOC[*:1])C1
CCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1 CCO[*:1] Cc1ccc(cc1)NC(=O)Cn1cc(c(=O)c2cc(F)ccc21)S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1 Cc1ccc(cc1)NC(=O)C[*:1] CCOc1ccc(cc1)S(=O)(=O)c1cn(c2ccc(F)cc2c1=O)[*:1]
CCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] CCOc1ccc(cc1)S(=O)(=O)c1cn(C[*:1])c2ccc(F)cc2c1=O
CCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)Cn1cc(c(=O)c2cc(F)ccc21)S(=O)(=O)[*:1]
CCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)S(=O)(=O)c1cn(CC(=O)N[*:1])c2ccc(F)cc2c1=O
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCS(N)(=O)=O NS(=O)(=O)C[*:1] C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C[*:1]
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCS(N)(=O)=O NS(=O)(=O)[*:1] C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC[*:1]
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCS(N)(=O)=O CS(=O)(=O)[*:1] C[C@H]([C@@H](C)[*:1])N(C)CCS(N)(=O)=O
CC(=O)N1CCC(C(=O)NCc2cc3n(n2)CC[NH+](C2CCCCC2)C3)CC1 C1CCC(CC1)[*:1] CC(=O)N1CCC(CC1)C(=O)NCc1cc2C[NH+](CCn2n1)[*:1]
CC(=O)N1CCC(C(=O)NCc2cc3n(n2)CC[NH+](C2CCCCC2)C3)CC1 CC(=O)N1CCC(CC1)[*:1] O=C(NCc1cc2C[NH+](CCn2n1)C1CCCCC1)[*:1]
CCC(CC)N1C(=O)CNC(=O)[C@@]1(C)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)N1C(=O)CNC(=O)[C@]1(C)[*:1]
CCC(CC)N1C(=O)CNC(=O)[C@@]1(C)c1ccccc1 CCC(CC)[*:1] C[C@]1(C(=O)NCC(=O)N1[*:1])c1ccccc1
Cc1cscc1[C@@H]([NH3+])Cc1ccn(C2CCCCC2)n1 Cc1cscc1[*:1] [NH3+][C@@H](Cc1ccn(n1)C1CCCCC1)[*:1]
Cc1cscc1[C@@H]([NH3+])Cc1ccn(C2CCCCC2)n1 C1CCC(CC1)[*:1] Cc1cscc1[C@@H]([NH3+])Cc1ccn(n1)[*:1]
CC(C)[C@@H](Cl)[C@H]1CCc2ccccc2C1 CC(C)[C@@H](Cl)[*:1] c1ccc2C[C@H](CCc2c1)[*:1]
CC(C)[C@@H](Cl)[C@H]1CCc2ccccc2C1 CC(C)[*:1] Cl[C@@H]([C@H]1CCc2ccccc2C1)[*:1]
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccccc1)c1ccc2c(c1)OCO2 O=C(Nc1ccccc1)[*:1] O=C(Nc1nc2c(CCC[C@H]2[*:1])s1)c1ccc2OCOc2c1
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccccc1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(Nc1nc2c(CCC[C@@H]2C(=O)N[*:1])s1)c1ccc2OCOc2c1
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccccc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Nc1ccccc1)[C@H]1CCCc2sc(nc21)NC(=O)[*:1]
COC(=O)c1ccc(-c2ccc(/C=N/Nc3ccncc3)o2)cc1 c1cc(ccn1)[*:1] COC(=O)c1ccc(cc1)-c1ccc(/C=N/N[*:1])o1
COC(=O)c1ccc(-c2ccc(/C=N/Nc3ccncc3)o2)cc1 COC(=O)[*:1] C(=N/Nc1ccncc1)\c1ccc(o1)-c1ccc(cc1)[*:1]
C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)C(=O)OC1CCCC1 C1CCC(C1)[*:1] C[C@H](NC(=O)Nc1cnn(c1)CC(F)F)C(=O)O[*:1]
C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)C(=O)OC1CCCC1 FC(F)C[*:1] C[C@H](NC(=O)Nc1cnn(c1)[*:1])C(=O)OC1CCCC1
C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)C(=O)OC1CCCC1 FC(F)[*:1] C[C@H](NC(=O)Nc1cnn(c1)C[*:1])C(=O)OC1CCCC1
Cc1csc([C@@H](C)NC(=O)NC[C@H](CC(C)C)C(=O)[O-])n1 CC(C)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)NC[C@H](C[*:1])C(=O)[O-]
Cc1csc([C@@H](C)NC(=O)NC[C@H](CC(C)C)C(=O)[O-])n1 O=C([O-])[*:1] Cc1csc(n1)[C@@H](C)NC(=O)NC[C@H](CC(C)C)[*:1]
Cc1csc([C@@H](C)NC(=O)NC[C@H](CC(C)C)C(=O)[O-])n1 CC(C)C[*:1] Cc1csc(n1)[C@@H](C)NC(=O)NC[C@H](C(=O)[O-])[*:1]
Cc1csc([C@@H](C)NC(=O)NC[C@H](CC(C)C)C(=O)[O-])n1 Cc1csc(n1)[*:1] CC(C)C[C@@H](CNC(=O)N[C@H](C)[*:1])C(=O)[O-]
COc1ccc(-c2noc(CCC(=O)N(C)Cc3ccccc3F)n2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-c1noc(CCC(=O)N(C)C[*:1])n1
COc1ccc(-c2noc(CCC(=O)N(C)Cc3ccccc3F)n2)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)-c1noc(CCC(=O)N(C)[*:1])n1
COc1ccc(-c2noc(CCC(=O)N(C)Cc3ccccc3F)n2)cc1 COc1ccc(cc1)[*:1] CN(Cc1ccccc1F)C(=O)CCc1nc(no1)[*:1]
CN(Cc1cnn(C)c1)C(=O)CS[C@@H]1CCS(=O)(=O)C1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)CS[C@@H]1CCS(=O)(=O)C1
O=C(Nc1cccc(OCC(F)(F)F)c1)C(=O)N1C[C@H]2CC=CC[C@@H]2C1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)OC[*:1])C(=O)N1C[C@H]2CC=CC[C@@H]2C1
O=C(Nc1cccc(OCC(F)(F)F)c1)C(=O)N1C[C@H]2CC=CC[C@@H]2C1 FC(F)(F)C[*:1] O=C(Nc1cccc(c1)O[*:1])C(=O)N1C[C@H]2CC=CC[C@@H]2C1
O=C(Nc1cccc(OCC(F)(F)F)c1)C(=O)N1C[C@H]2CC=CC[C@@H]2C1 FC(F)(F)CO[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1C[C@H]2CC=CC[C@@H]2C1
CC(C)(C)c1ccc(=O)n(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)n1 O=C(NC1CCCC1)[*:1] CC(C)(C)c1ccc(=O)n(CC(=O)Nc2ccccc2[*:1])n1
CC(C)(C)c1ccc(=O)n(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)n1 CC(C)(C)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1ccccc1C(=O)NC1CCCC1
CC(C)(C)c1ccc(=O)n(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)n1 C1CCC(C1)[*:1] CC(C)(C)c1ccc(=O)n(CC(=O)Nc2ccccc2C(=O)N[*:1])n1
Cc1nn(C)c(C)c1C(=O)C(=O)O[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)O[C@H](c1ccccc1)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)O[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)O[C@H](c1ccccn1)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)O[C@H](c1ccccc1)c1ccccn1 Cc1nn(C)c(C)c1[*:1] O=C(O[C@H](c1ccccc1)c1ccccn1)C(=O)[*:1]
C[C@H]1C[C@@H]1NC(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] C[C@H]1C[C@@H]1NC(=O)Nc1ccc(cc1)O[*:1]
C[C@H]1C[C@@H]1NC(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] C[C@H]1C[C@@H]1NC(=O)Nc1ccc(cc1)[*:1]
C[C@H]1C[C@@H]1NC(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H]1C[C@@H]1NC(=O)Nc1ccc(cc1)OC[*:1]
Cc1ccccc1CNC(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] Cc1ccccc1CNC(=O)N1CCC(CC1)C[*:1]
Cc1ccccc1CNC(=O)N1CCC(CC(=O)[O-])CC1 Cc1ccccc1[*:1] O=C([O-])CC1CCN(CC1)C(=O)NC[*:1]
Cc1ccccc1CNC(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] Cc1ccccc1CNC(=O)N1CCC(CC1)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CC[C@@H](CSC)N(C)C(=O)N[C@H](C)C[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@H](C)CS(C)(=O)=O CC[C@@H](CSC)[*:1] C[C@H](CS(C)(=O)=O)NC(=O)N(C)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CC[C@@H](CSC)N(C)C(=O)N[C@H](C)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@H](C)CS(C)(=O)=O CSC[*:1] CC[C@@H](N(C)C(=O)N[C@H](C)CS(C)(=O)=O)[*:1]
CCOC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)CC[C@H]2C)cc1C#N CCOC(=O)N[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)Nc1ccc(c(C#N)c1)[*:1]
O=C(NCC1(c2ccccc2)CCC1)c1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] O=C(NCC1(CCC1)c1ccccc1)c1ccc(cc1)C[*:1]
O=C(NCC1(c2ccccc2)CCC1)c1ccc(Cn2cncn2)cc1 c1ccc(cc1)[*:1] O=C(NCC1(CCC1)[*:1])c1ccc(cc1)Cn1cncn1
O=C(NCC1(c2ccccc2)CCC1)c1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 O=C(NCC1(CCC1)c1ccccc1)c1ccc(cc1)[*:1]
CCC/C=N/NC(=O)[C@@H]1COc2ccccc2O1 CCC[*:1] O=C(NN=C[*:1])[C@@H]1COc2ccccc2O1
CCN1CCO[C@@H](c2ncc([C@@H](C)O)s2)C1 C[C@@H](O)[*:1] CCN1CCO[C@H](C1)c1ncc(s1)[*:1]
CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O Clc1ccc(cc1)[*:1] CCn1c(=O)c2c(nc3N(C[C@@H](C)Cn32)[*:1])n(C)c1=O
CCN(CC)C(=O)NCc1ccc(COC(C)C)cc1 CC(C)[*:1] CCN(CC)C(=O)NCc1ccc(cc1)CO[*:1]
CCN(CC)C(=O)NCc1ccc(COC(C)C)cc1 CC(C)O[*:1] CCN(CC)C(=O)NCc1ccc(cc1)C[*:1]
CCN(CC)C(=O)NCc1ccc(COC(C)C)cc1 CC(C)OC[*:1] CCN(CC)C(=O)NCc1ccc(cc1)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)/C=C/c3ccc(F)cc3)C2)c1 Fc1ccc(C=C[*:1])cc1 CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)/C=C/c3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)C=C[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)/C=C/c3ccc(F)cc3)C2)c1 CCOC(=O)[*:1] O=C(/C=C/c1ccc(F)cc1)N1CCC[C@H](C1)n1cc(cn1)[*:1]
c1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cc5ccccc5s4)C3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc2sc(cc2c1)CN1CCC[C@@H](C1)[NH+]1CCN(CC1)[*:1]
c1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cc5ccccc5s4)C3)CC2)cc1 c1ccc2sc(cc2c1)[*:1] c1ccc(cc1)N1CC[NH+](CC1)[C@H]1CCCN(C1)C[*:1]
C[C@H](c1ccco1)N(C(=O)NCc1cccc(-n2cccn2)c1)C1CC1 c1cnn(c1)[*:1] C[C@H](c1ccco1)N(C(=O)NCc1cccc(c1)[*:1])C1CC1
C[C@H](c1ccco1)N(C(=O)NCc1cccc(-n2cccn2)c1)C1CC1 C1CC1[*:1] C[C@H](c1ccco1)N(C(=O)NCc1cccc(c1)-n1cccn1)[*:1]
C[C@H](c1ccco1)N(C(=O)NCc1cccc(-n2cccn2)c1)C1CC1 c1coc(c1)[*:1] C[C@H](N(C(=O)NCc1cccc(c1)-n1cccn1)C1CC1)[*:1]
O=C(Cc1cn2ccsc2n1)N1CCN(c2ccc(O)cc2)CC1 c1cn2cc(nc2s1)[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(O)cc1
O=C(Cc1cn2ccsc2n1)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(Cc1cn2ccsc2n1)N1CCN(CC1)[*:1]
CCC[NH2+][C@@H](C)c1cccn1Cc1cncn1C CCC[*:1] C[C@H]([NH2+][*:1])c1cccn1Cc1cncn1C
CCC[NH2+][C@@H](C)c1cccn1Cc1cncn1C Cn1cncc1[*:1] CCC[NH2+][C@@H](C)c1cccn1C[*:1]
Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(n[nH]1)[*:1]
Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(-c2cccs2)n[nH]1 CC(C)C[*:1] Cc1nn(c(C)c1CCC(=O)Nc1cc(n[nH]1)-c1cccs1)[*:1]
Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(-c2cccs2)n[nH]1 CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CCC(=O)Nc1cc(n[nH]1)-c1cccs1
CS(=O)(=O)N1CCC(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)CC1 CS(=O)(=O)N1CCC(CC1)[*:1] O=C(N1CCC(CC1)c1nnc(o1)-c1ccc(F)cc1)[*:1]
CS(=O)(=O)N1CCC(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)CC1 Fc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)N1CCC(CC1)c1nnc(o1)[*:1]
O=C(Cc1c(F)cccc1F)NC1CC1 C1CC1[*:1] O=C(Cc1c(F)cccc1F)N[*:1]
Cc1cc(C(=O)N2CCC[C@@H]2C)sc1/C=C/C(=O)[O-] O=C([O-])[*:1] Cc1cc(sc1C=C[*:1])C(=O)N1CCC[C@@H]1C
COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)nn1 c1ccc(cc1)[*:1] COc1ccc(nn1)C(=O)Nc1nc2CC[C@H](Cc2s1)[*:1]
COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)nn1 COc1ccc(nn1)[*:1] O=C(Nc1nc2CC[C@@H](Cc2s1)c1ccccc1)[*:1]
Cn1cccc(C(=O)N2CCC(CNC(=O)c3cccc4ccccc34)CC2)c1=O c1ccc2c(cccc2c1)[*:1] Cn1cccc(C(=O)N2CCC(CC2)CNC(=O)[*:1])c1=O
Cn1cccc(C(=O)N2CCC(CNC(=O)c3cccc4ccccc34)CC2)c1=O Cn1cccc(c1=O)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1cccc2ccccc12
COc1cc(CNn2cnnc2)cc(Br)c1OC c1nncn1N[*:1] COc1cc(cc(Br)c1OC)C[*:1]
O=C(NCC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccccc1F Fc1ccccc1[*:1] O=C(CNC(=O)[*:1])N1CCC[C@@H](C1)c1nnc2CCCCCn21
Cc1cc(C(=O)N2CCN(c3ccccc3F)CC2)c(C)n1-c1ccc(N2CCC(C)CC2)nc1 Fc1ccccc1[*:1] Cc1cc(C(=O)N2CCN(CC2)[*:1])c(C)n1-c1ccc(nc1)N1CCC(C)CC1
Cc1cc(C(=O)N2CCN(c3ccccc3F)CC2)c(C)n1-c1ccc(N2CCC(C)CC2)nc1 CC1CCN(CC1)[*:1] Cc1cc(C(=O)N2CCN(CC2)c2ccccc2F)c(C)n1-c1ccc(nc1)[*:1]
CC[C@H](C)n1ncc(C(=O)Nc2cccc(-n3cnnn3)c2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)Nc2cccc(c2)-n2cnnn2)c1[*:1]
CC[C@H](C)n1ncc(C(=O)Nc2cccc(-n3cnnn3)c2)c1C1CC1 c1nnnn1[*:1] CC[C@H](C)n1ncc(C(=O)Nc2cccc(c2)[*:1])c1C1CC1
C[C@H]1CN(C[C@@H]2CCCN2Cc2cnc(-c3ccsc3)s2)C[C@@H](C)O1 c1cc(cs1)[*:1] C[C@H]1CN(C[C@@H]2CCCN2Cc2cnc(s2)[*:1])C[C@@H](C)O1
Cc1ccc(Nc2ccc([N+](=O)[O-])ccc2=O)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)Nc1ccc(ccc1=O)[*:1]
Cc1ccccc1CN(Cc1cccnc1)C1=[NH+]CCCS1 c1cncc(c1)C[*:1] Cc1ccccc1CN(C1=[NH+]CCCS1)[*:1]
Cc1ccccc1CN(Cc1cccnc1)C1=[NH+]CCCS1 c1cncc(c1)[*:1] Cc1ccccc1CN(C[*:1])C1=[NH+]CCCS1
Cc1ccccc1CN(Cc1cccnc1)C1=[NH+]CCCS1 Cc1ccccc1[*:1] c1cncc(c1)CN(C[*:1])C1=[NH+]CCCS1
Cc1ccc2nc(N3CCC[C@@H](C(=O)Nc4cccc(C#N)c4)C3)sc2c1 N#Cc1cccc(c1)[*:1] Cc1ccc2nc(sc2c1)N1CCC[C@H](C1)C(=O)N[*:1]
C[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(N)=O NC(=O)[*:1] C[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)[*:1]
C[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)C(N)=O C[C@H](C(N)=O)[*:1] O=C(N[*:1])c1c(Cl)ccc(Cl)c1Cl
C[C@@]12CC/C(=N\OCC(=O)[O-])C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O O=C([O-])[*:1] C[C@@]12CC/C(C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O)=N\OC[*:1]
C[C@@]12CC/C(=N\OCC(=O)[O-])C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O O=C([O-])C[*:1] C[C@@]12CC/C(C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O)=N\O[*:1]
NC(=O)c1ccc(CNC(=O)NCC(=O)N2CCc3ccccc32)o1 NC(=O)c1ccc(o1)[*:1] O=C(NCC(=O)N1CCc2ccccc21)NC[*:1]
NC(=O)c1ccc(CNC(=O)NCC(=O)N2CCc3ccccc32)o1 NC(=O)[*:1] O=C(NCC(=O)N1CCc2ccccc21)NCc1ccc(o1)[*:1]
O=C1c2ccccc2C(=O)N1CCOc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C1c2ccccc2C(=O)N1CCOc1cccc(c1)[*:1]
CC(C)C[NH+]1CCC(NC(=O)c2ccnc(OC(C)(C)C)c2)CC1 CC(C)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NC1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCC(NC(=O)c2ccnc(OC(C)(C)C)c2)CC1 CC(C)(C)[*:1] CC(C)C[NH+]1CCC(CC1)NC(=O)c1ccnc(c1)O[*:1]
CC(C)C[NH+]1CCC(NC(=O)c2ccnc(OC(C)(C)C)c2)CC1 CC(C)C[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NC1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCC(NC(=O)c2ccnc(OC(C)(C)C)c2)CC1 CC(C)(C)O[*:1] CC(C)C[NH+]1CCC(CC1)NC(=O)c1ccnc(c1)[*:1]
Cc1cc(NC(=O)N[C@@H](c2ccccc2F)c2nccn2C)no1 Cn1ccnc1[*:1] Cc1cc(no1)NC(=O)N[C@@H](c1ccccc1F)[*:1]
Cc1cc(NC(=O)N[C@@H](c2ccccc2F)c2nccn2C)no1 Cc1cc(no1)[*:1] Cn1ccnc1[C@@H](NC(=O)N[*:1])c1ccccc1F
Cc1cc(NC(=O)N[C@@H](c2ccccc2F)c2nccn2C)no1 Fc1ccccc1[*:1] Cc1cc(no1)NC(=O)N[C@@H](c1nccn1C)[*:1]
CCc1noc(CCCC(=O)Nc2ccc3c(C)n[nH]c3c2)n1 CCc1noc(n1)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)CCC[*:1]
CC/[NH+]=C(/NCc1cc(Br)cs1)NCc1ccnn1C Cn1nccc1[*:1] CC/[NH+]=C(/NCc1cc(Br)cs1)NC[*:1]
CC/[NH+]=C(/NCc1cc(Br)cs1)NCc1ccnn1C Brc1csc(c1)[*:1] CC/[NH+]=C(\NCc1ccnn1C)NC[*:1]
COc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1nnc(o1)-c1ccc(Cl)cc1
COc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)Nc1nnc(o1)[*:1]
Cc1ccc(N2CCCC2=O)c(C(=O)Nc2cccc3cn[nH]c23)c1 O=C1CCCN1[*:1] Cc1ccc(c(c1)C(=O)Nc1cccc2cn[nH]c12)[*:1]
COC(=O)c1cccc(-c2nc3ccc(N)cc3o2)c1 COC(=O)[*:1] Nc1ccc2nc(oc2c1)-c1cccc(c1)[*:1]
COc1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1OC c1ccc(nc1)[*:1] COc1ccc(cc1OC)NC(=O)CN1CCc2nc(NC(=O)[*:1])sc2C1
COc1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(CN1CCc2nc(NC(=O)c3ccccn3)sc2C1)N[*:1]
COc1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1OC O=C(N[*:1])c1ccccn1 COc1ccc(cc1OC)NC(=O)CN1CCc2nc(sc2C1)[*:1]
O=C(c1ccc(O)cc1)N1CCN([C@H]2CCCC[C@H]2O)CC1 Oc1ccc(cc1)[*:1] O=C(N1CCN(CC1)[C@H]1CCCC[C@H]1O)[*:1]
C[NH2+][C@H]1CCN([C@@H](C)CCOC)[C@@H](C)[C@@H]1C COCC[*:1] C[NH2+][C@H]1CCN([C@@H](C)[C@@H]1C)[C@@H](C)[*:1]
C[NH2+][C@H]1CCN([C@@H](C)CCOC)[C@@H](C)[C@@H]1C COC[*:1] C[NH2+][C@H]1CCN([C@@H](C)C[*:1])[C@@H](C)[C@@H]1C
C[C@@H](CO)NC(=O)C1(C)CCCC1 C[C@@H](CO)[*:1] CC1(CCCC1)C(=O)N[*:1]
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccncc2)c1 O=C(Nc1ccncc1)[*:1] COc1cccc(c1)-c1nn(cc1[*:1])-c1ccccc1
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccncc2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccncc1)c1cn(nc1[*:1])-c1ccccc1
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccncc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1nn(cc1C(=O)Nc1ccncc1)[*:1]
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccncc2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)-c1nn(cc1C(=O)N[*:1])-c1ccccc1
Cc1nc([C@H](NC(=O)[C@H]2CSC(=O)N2)c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1nc(no1)[C@H](NC(=O)[C@H]1CSC(=O)N1)[*:1]
Cc1nc([C@H](NC(=O)[C@H]2CSC(=O)N2)c2ccc(Cl)cc2)no1 Cc1nc(no1)[*:1] O=C1N[C@H](CS1)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CCCCCNC(=O)c1ccc(-n2nc(C)cc2C)cc1 CCCC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)NC[*:1]
CCCCCNC(=O)c1ccc(-n2nc(C)cc2C)cc1 CCC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)NCC[*:1]
CCCCCNC(=O)c1ccc(-n2nc(C)cc2C)cc1 Cc1cc(C)n(n1)[*:1] CCCCCNC(=O)c1ccc(cc1)[*:1]
CCCCCNC(=O)c1ccc(-n2nc(C)cc2C)cc1 CCCCC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N[*:1]
COC(C)(C)C[C@H](C)NC(=O)N1CCC(n2cncn2)CC1 COC(C)(C)[*:1] C[C@@H](C[*:1])NC(=O)N1CCC(CC1)n1cncn1
COC(C)(C)C[C@H](C)NC(=O)N1CCC(n2cncn2)CC1 COC(C)(C)C[*:1] C[C@H](NC(=O)N1CCC(CC1)n1cncn1)[*:1]
COC(C)(C)C[C@H](C)NC(=O)N1CCC(n2cncn2)CC1 c1ncn(n1)[*:1] COC(C)(C)C[C@H](C)NC(=O)N1CCC(CC1)[*:1]
Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nncn1C1CC1 C1CC1[*:1] Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nncn1[*:1]
Cc1ccc(-c2nc(CNC(=O)COc3c(C)cccc3C)co2)cc1 Cc1cccc(C)c1[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)CO[*:1]
Cc1ccc(-c2nc(CNC(=O)COc3c(C)cccc3C)co2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(C)c1OCC(=O)NCc1coc(n1)[*:1]
CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 CN(C)[*:1] [NH3+][C@H]1CCC[C@H](C1)[NH2+]C[C@H](c1ccccc1)[*:1]
CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)[*:1]
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)OCC(=O)NNC(=O)[C@H]1CCCC[C@H]1[*:1]
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])NNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]
C[C@H](NC(=O)c1cn(C2C[NH2+]C2)nn1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
CC[C@H](NC(=O)NC[C@@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)NC[C@@](C)(O)c1ccccc1)c1cccc(c1)[*:1]
CC[C@H](NC(=O)NC[C@@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)NC[C@@](C)(O)[*:1])c1cccc(c1)[N+](=O)[O-]
CC(C)N[C@@]1(C#N)CCC[C@@H]1CC[NH+]1CCCC1 CC(C)[*:1] N#C[C@@]1(CCC[C@@H]1CC[NH+]1CCCC1)N[*:1]
CC(C)N[C@@]1(C#N)CCC[C@@H]1CC[NH+]1CCCC1 CC(C)N[*:1] N#C[C@]1(CCC[C@@H]1CC[NH+]1CCCC1)[*:1]
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H](O)c3ccccc3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)NC(=O)[C@H](O)c1ccccc1)[*:1]
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H](O)c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(C)c(s1)[C@H](C)NC(=O)[C@H](O)[*:1]
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H](O)c3ccccc3)s2)cc1 O[C@H](c1ccccc1)[*:1] Cc1ccc(cc1)-c1nc(C)c(s1)[C@H](C)NC(=O)[*:1]
O=S(=O)(Oc1ccc(F)cc1Br)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=S(=O)(Oc1ccc(F)cc1Br)c1cccc(c1)[*:1]
O=C(Nc1nc2c(s1)CN(CC(=O)N1CCN(c3ccc(Cl)cc3)CC1)CC2)c1ccccn1 O=C(N[*:1])c1ccccn1 O=C(CN1CCc2nc(sc2C1)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
O=C(Nc1nc2c(s1)CN(CC(=O)N1CCN(c3ccc(Cl)cc3)CC1)CC2)c1ccccn1 Clc1ccc(cc1)[*:1] O=C(Nc1nc2CCN(CC(=O)N3CCN(CC3)[*:1])Cc2s1)c1ccccn1
O=C(Nc1nc2c(s1)CN(CC(=O)N1CCN(c3ccc(Cl)cc3)CC1)CC2)c1ccccn1 c1ccc(nc1)[*:1] O=C(CN1CCc2nc(NC(=O)[*:1])sc2C1)N1CCN(CC1)c1ccc(Cl)cc1
O=C(NCc1ccccc1Cl)C1CN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] O=C(NCc1ccccc1Cl)C1CN(C1)C(=O)[*:1]
O=C(NCc1ccccc1Cl)C1CN(C(=O)c2cccs2)C1 Clc1ccccc1[*:1] O=C(NC[*:1])C1CN(C1)C(=O)c1cccs1
C=CCn1c(Sc2nc(CC)ns2)nnc1-c1ccccc1C C=CC[*:1] CCc1nsc(n1)Sc1nnc(-c2ccccc2C)n1[*:1]
C=CCn1c(Sc2nc(CC)ns2)nnc1-c1ccccc1C Cc1ccccc1[*:1] C=CCn1c(nnc1[*:1])Sc1nc(CC)ns1
C=CCn1c(Sc2nc(CC)ns2)nnc1-c1ccccc1C CCc1nsc(n1)[*:1] C=CCn1c(nnc1-c1ccccc1C)S[*:1]
CN1CCN(C(=O)COC[C@@H]2CCCO2)[C@@H](c2ccccc2)C1 C1CO[C@@H](C1)[*:1] CN1CCN(C(=O)COC[*:1])[C@H](C1)c1ccccc1
CN1CCN(C(=O)COC[C@@H]2CCCO2)[C@@H](c2ccccc2)C1 C1CO[C@@H](C1)CO[*:1] CN1CCN(C(=O)C[*:1])[C@H](C1)c1ccccc1
CN1CCN(C(=O)COC[C@@H]2CCCO2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)COC[C@@H]2CCCO2)[C@@H](C1)[*:1]
CN1CCN(C(=O)COC[C@@H]2CCCO2)[C@@H](c2ccccc2)C1 C1CO[C@@H](C1)C[*:1] CN1CCN(C(=O)CO[*:1])[C@H](C1)c1ccccc1
CC(=O)Nc1ccc(S[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 CC(=O)N[*:1] N#Cc1ccsc1N1CC[C@@H](Sc2ccc(cc2)[*:1])C1=O
CC(=O)Nc1ccc(S[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 N#Cc1ccsc1[*:1] CC(=O)Nc1ccc(cc1)S[C@@H]1CCN(C1=O)[*:1]
CSC[C@H](C)C(=O)N1CCN(Cc2nc(-c3ccccc3C)no2)CC1 CSC[*:1] Cc1ccccc1-c1noc(CN2CCN(CC2)C(=O)[C@@H](C)[*:1])n1
CSC[C@H](C)C(=O)N1CCN(Cc2nc(-c3ccccc3C)no2)CC1 Cc1ccccc1[*:1] CSC[C@H](C)C(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 O=C(N1CCCC1)[*:1] CN(C)S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)[*:1]
Cc1ccc(CC[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)CC[NH2+][C@H]1CCN(C1)C[*:1]
Cc1ccc(CC[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)CC[NH2+][C@H]1CCN(C1)[*:1]
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2c(F)cccc2F)c1 CNS(=O)(=O)[*:1] O=C(COC(=O)c1cccc(c1)[*:1])Nc1c(F)cccc1F
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2c(F)cccc2F)c1 Fc1cccc(F)c1[*:1] CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)N[*:1]
COc1cccc2cc(-c3csc(COc4ccccc4)n3)c(=O)oc12 c1ccc(cc1)[*:1] COc1cccc2cc(-c3csc(CO[*:1])n3)c(=O)oc12
COc1cccc2cc(-c3csc(COc4ccccc4)n3)c(=O)oc12 c1ccc(cc1)OC[*:1] COc1cccc2cc(-c3csc(n3)[*:1])c(=O)oc12
COc1cccc2cc(-c3csc(COc4ccccc4)n3)c(=O)oc12 c1ccc(cc1)O[*:1] COc1cccc2cc(-c3csc(C[*:1])n3)c(=O)oc12
Cc1ccccc1[C@H](CC(=O)NCc1cccnc1)n1cccc1 c1cncc(c1)C[*:1] Cc1ccccc1[C@H](CC(=O)N[*:1])n1cccc1
Cc1ccccc1[C@H](CC(=O)NCc1cccnc1)n1cccc1 Cc1ccccc1[*:1] O=C(C[C@H](n1cccc1)[*:1])NCc1cccnc1
Cc1ccccc1[C@H](CC(=O)NCc1cccnc1)n1cccc1 c1ccn(c1)[*:1] Cc1ccccc1[C@H](CC(=O)NCc1cccnc1)[*:1]
Cc1ccccc1[C@H](CC(=O)NCc1cccnc1)n1cccc1 c1cncc(c1)[*:1] Cc1ccccc1[C@H](CC(=O)NC[*:1])n1cccc1
Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(=O)Nc4ccccc43)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C1CCN(C(=O)c2ccc(cc2)C[*:1])c2ccccc2N1
Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(=O)Nc4ccccc43)cc2)n1 Cc1cc(C)n(C[*:1])n1 O=C1CCN(C(=O)c2ccc(cc2)[*:1])c2ccccc2N1
Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@H](C)CC1=O)N2 c1ccc(cc1)[*:1] Cc1nc2NC3C[C@H](C)CC(=O)C=3[C@H](n2n1)[*:1]
CCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1[N+](=O)[O-] CCO[*:1] O=C(Nc1cc2nn(nc2cc1Cl)-c1ccccc1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc1cc2nn(nc2cc1Cl)[*:1]
CCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])C(=O)Nc1cc2nn(nc2cc1Cl)-c1ccccc1
CO[C@@H](C)C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 Fc1ccc(cc1)[*:1] CO[C@@H](C)C(=O)N1CCN(CC1)Cc1csc(n1)[*:1]
COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)N2CCc3ccccc32)cc1 COc1ccc(cc1)[*:1] Cc1ccc2cc(c(=O)[nH]c2c1)[C@@H](c1nnnn1C[*:1])N1CCc2ccccc21
COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)N2CCc3ccccc32)cc1 COc1ccc(cc1)C[*:1] Cc1ccc2cc(c(=O)[nH]c2c1)[C@@H](c1nnnn1[*:1])N1CCc2ccccc21
COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)N2CCc3ccccc32)cc1 c1ccc2c(c1)CCN2[*:1] COc1ccc(cc1)Cn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[*:1]
COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)N2CCc3ccccc32)cc1 Cc1ccc2cc(c(=O)[nH]c2c1)[*:1] COc1ccc(cc1)Cn1nnnc1[C@H](N1CCc2ccccc21)[*:1]
Cc1nc(-c2cccc(C(=O)N[C@H]3CCCN(c4ccccc4)C3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(N[C@H]1CCCN(C1)c1ccccc1)c1cccc(c1)[*:1]
Cc1nc(-c2cccc(C(=O)N[C@H]3CCCN(c4ccccc4)C3)c2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)N[C@H]1CCCN(C1)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2CCCC[C@@H]2C)c1 CCC(=O)N[*:1] Cc1ccc(cc1NC(=O)N[C@H]1CCCC[C@@H]1C)[*:1]
CC(C)(CNC(=O)/C=C/c1ccsc1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)/C=C/c1ccsc1)[*:1]
CC(C)(CNC(=O)/C=C/c1ccsc1)c1ccncc1 c1cc(cs1)[*:1] CC(C)(CNC(=O)C=C[*:1])c1ccncc1
CC[NH+](CC)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N CCC(C)(C)[*:1] CC[NH+](CC)[C@@H]1C[C@H](CC[C@H]1C#N)[*:1]
C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)c1ccc(Cl)s1 C[C@@H](O)C[*:1] C[C@H](NC(=O)NC[C@H](C)[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)[*:1]
C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)c1ccc(Cl)s1 C[C@@H](O)C[C@@H](C)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)c1ccc(Cl)s1 C[C@@H](O)[*:1] C[C@H](NC(=O)NC[C@H](C)C[*:1])c1ccc(Cl)s1
CC[C@@H]1CCCCN1c1ncnc(NN)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H]1CCCCN1c1ncnc(NN)c1[*:1]
COc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 O=C(Nc1ccc(F)cc1)[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@H]1c1nnc(s1)[*:1]
COc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)[C@@H]1CCCN1C(=O)N[*:1]
COc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@H]1c1nnc(s1)C(=O)N[*:1]
CCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 CCC[*:1] COc1cc2CCN(C(=O)N[*:1])[C@@H](c3ccccc3)c2cc1OC
CCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCCNC(=O)N1CCc2cc(OC)c(cc2[C@H]1[*:1])OC
CN(C)C(=O)C1CCN(C(=O)Nc2cc(C(C)(C)C)on2)CC1 CC(C)(C)[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)Nc1cc(on1)[*:1]
CN(C)C(=O)C1CCN(C(=O)Nc2cc(C(C)(C)C)on2)CC1 CN(C)C(=O)[*:1] CC(C)(C)c1cc(no1)NC(=O)N1CCC(CC1)[*:1]
N#Cc1ccc(OC2CCC(NC(=O)NCCCO)CC2)nc1 OCCC[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)N[*:1]
N#Cc1ccc(OC2CCC(NC(=O)NCCCO)CC2)nc1 OCC[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)NC[*:1]
O=C(NCCC(=O)N1CCC(O)CC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCNC(=O)[*:1])N1CCC(O)CC1
Cn1cc(SCC[C@H]2CCC[C@]2([NH2+]C2CC2)C(=O)[O-])cn1 C1CC1[*:1] Cn1cc(cn1)SCC[C@H]1CCC[C@]1([NH2+][*:1])C(=O)[O-]
Cn1cc(SCC[C@H]2CCC[C@]2([NH2+]C2CC2)C(=O)[O-])cn1 Cn1cc(cn1)S[*:1] O=C([O-])[C@]1(CCC[C@@H]1CC[*:1])[NH2+]C1CC1
Cn1cc(SCC[C@H]2CCC[C@]2([NH2+]C2CC2)C(=O)[O-])cn1 O=C([O-])[*:1] Cn1cc(cn1)SCC[C@H]1CCC[C@@]1([NH2+]C1CC1)[*:1]
Cn1cc(SCC[C@H]2CCC[C@]2([NH2+]C2CC2)C(=O)[O-])cn1 Cn1cc(cn1)[*:1] O=C([O-])[C@]1(CCC[C@@H]1CCS[*:1])[NH2+]C1CC1
CCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H](COC)C3)ccc21 CCC[*:1] COC[C@@H]1CCCN(C1)C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H](COC)C3)ccc21 COC[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N1CCC[C@@H](C1)[*:1]
CCN1CCN(C(=O)[C@H]2Cc3cc(S(=O)(=O)N(CC)CC)ccc3N2C(C)=O)CC1 CCN1CCN(CC1)C(=O)[*:1] CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](N2C(C)=O)[*:1]
CCN1CCN(C(=O)[C@H]2Cc3cc(S(=O)(=O)N(CC)CC)ccc3N2C(C)=O)CC1 CCN(CC)S(=O)(=O)[*:1] CCN1CCN(CC1)C(=O)[C@H]1Cc2cc(ccc2N1C(C)=O)[*:1]
CC(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21 CC(C)NC(=O)[*:1] O=C1N[C@@H]2CS[C@H](CCCC[*:1])[C@H]2N1
CC(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21 CC(C)[*:1] O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21)N[*:1]
CC(=O)CN1C(=O)N[C@](C)(CC(C)C)C1=O CC(=O)[*:1] CC(C)C[C@@]1(C)NC(=O)N(C[*:1])C1=O
CC(=O)CN1C(=O)N[C@](C)(CC(C)C)C1=O CC(C)[*:1] CC(=O)CN1C(=O)N[C@](C)(C[*:1])C1=O
CC(=O)CN1C(=O)N[C@](C)(CC(C)C)C1=O CC(=O)C[*:1] CC(C)C[C@@]1(C)NC(=O)N(C1=O)[*:1]
CC(=O)CN1C(=O)N[C@](C)(CC(C)C)C1=O CC(C)C[*:1] CC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
C[NH2+][C@H]([C@H]1CCc2cccnc21)C(C)(C)OC COC(C)(C)[*:1] C[NH2+][C@H]([C@H]1CCc2cccnc21)[*:1]
O=C(NCCc1ccccn1)c1ccnc(Cl)c1 c1ccc(nc1)[*:1] O=C(NCC[*:1])c1ccnc(Cl)c1
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cnc(-c2cccc(C)c2)nc1 CNC(=O)[*:1] Cc1cccc(c1)-c1ncc(cn1)CN1C[C@@H]([NH3+])C[C@H]1[*:1]
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cnc(-c2cccc(C)c2)nc1 Cc1cccc(c1)[*:1] CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cnc(nc1)[*:1]
Cc1ccc(C[C@@H](C)N(C)C(=O)CC2CCC2)cc1 C1CC(C1)C[*:1] Cc1ccc(cc1)C[C@@H](C)N(C)C(=O)[*:1]
Cc1ccc(C[C@@H](C)N(C)C(=O)CC2CCC2)cc1 C1CC(C1)[*:1] Cc1ccc(cc1)C[C@@H](C)N(C)C(=O)C[*:1]
Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Br)cc2)c(N2CC[NH+](C)CC2)o1 Brc1ccc(cc1)[*:1] Cc1ccccc1-c1nc(c(o1)N1CC[NH+](C)CC1)S(=O)(=O)[*:1]
Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Br)cc2)c(N2CC[NH+](C)CC2)o1 Cc1ccccc1[*:1] C[NH+]1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccc(Br)cc1)[*:1]
COc1ccc(OC)c(NC(=O)CSc2nnc(NC(C)=O)s2)c1 CC(=O)N[*:1] COc1ccc(OC)c(c1)NC(=O)CSc1nnc(s1)[*:1]
CC(=O)N1CCC[C@@H](c2nc(-c3cccnc3)ncc2-c2ccccc2F)C1 Fc1ccccc1[*:1] CC(=O)N1CCC[C@H](C1)c1nc(ncc1[*:1])-c1cccnc1
CC(=O)N1CCC[C@@H](c2nc(-c3cccnc3)ncc2-c2ccccc2F)C1 c1cncc(c1)[*:1] CC(=O)N1CCC[C@H](C1)c1nc(ncc1-c1ccccc1F)[*:1]
CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)CC1 Fc1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)CC1 Fc1ccc(cc1)C[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc2c(c1)=C(CCNC(=O)[C@@H]1NC(c3cccnc3)=NO1)C[NH+]=2 c1cncc(c1)[*:1] COc1ccc2=[NH+]CC(CCNC(=O)[C@@H]3NC(=NO3)[*:1])=c2c1
COC[C@@H](C)NC(=O)c1c[nH]c2nccc(Cl)c12 COC[*:1] C[C@@H](NC(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
COC[C@@H](C)NC(=O)c1c[nH]c2nccc(Cl)c12 COC[C@@H](C)[*:1] O=C(N[*:1])c1c[nH]c2nccc(Cl)c12
CCc1[nH]c(C(=O)N(C)Cc2cccc(C#N)c2)c(C)c1C(=O)OC COC(=O)[*:1] CCc1[nH]c(C(=O)N(C)Cc2cccc(C#N)c2)c(C)c1[*:1]
CCc1[nH]c(C(=O)N(C)Cc2cccc(C#N)c2)c(C)c1C(=O)OC N#Cc1cccc(c1)[*:1] CCc1[nH]c(C(=O)N(C)C[*:1])c(C)c1C(=O)OC
CC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1 O=[N+]([O-])[*:1] CC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cccc(c2)[*:1])S/C1=N\c1ccccc1
CC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1 CC[C@@H](C)[*:1] O=C(C[C@@H]1S/C(=N\c2ccccc2)N(C1=O)[*:1])Nc1cccc(c1)[N+](=O)[O-]
CC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cccc(c2)[N+](=O)[O-])SC1=N[*:1]
CC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] CC[C@@H](C)N1C(=O)[C@H](CC(=O)N[*:1])S/C1=N\c1ccccc1
O[C@]1(C[NH2+]Cc2cccnc2-n2cncn2)C[NH2+]CCOC1 c1ncn(n1)[*:1] O[C@@]1(C[NH2+]CCOC1)C[NH2+]Cc1cccnc1[*:1]
[NH3+]C[C@H]1CCN(Cc2sc(N3CCCC3)nc2Cl)C1 C1CCN(C1)[*:1] [NH3+]C[C@H]1CCN(Cc2sc(nc2Cl)[*:1])C1
CCCN(CC1CC1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl C1CC1C[*:1] CCCN(C(=O)c1cc(ccc1Cl)S(C)(=O)=O)[*:1]
CCCN(CC1CC1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl CCC[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl C1CC1[*:1] CCCN(C[*:1])C(=O)c1cc(ccc1Cl)S(C)(=O)=O
CCCN(CC1CC1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] CCCN(CC1CC1)C(=O)c1cc(ccc1Cl)[*:1]
CNC(=O)[C@@H]1CN(C(=O)Nc2cc(C)ccc2C)CC12CCCC2 Cc1ccc(C)c(c1)[*:1] CNC(=O)[C@@H]1CN(CC12CCCC2)C(=O)N[*:1]
CNC(=O)[C@@H]1CN(C(=O)Nc2cc(C)ccc2C)CC12CCCC2 CNC(=O)[*:1] Cc1ccc(C)c(c1)NC(=O)N1C[C@H](C2(CCCC2)C1)[*:1]
C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCCC1(C)C c1cnn(c1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCCC1(C)C
COCC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1O COCC(=O)NC[*:1] N#Cc1cccc(c1)C[NH2+][C@@H]1CO[C@@H]([C@H]1O)[*:1]
COCC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1O COC[*:1] N#Cc1cccc(c1)C[NH2+][C@@H]1CO[C@H](CNC(=O)[*:1])[C@H]1O
COCC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1O COCC(=O)N[*:1] N#Cc1cccc(c1)C[NH2+][C@@H]1CO[C@H](C[*:1])[C@H]1O
CC(C)c1ccccc1NC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 CC(C)[*:1] C[C@H](NC(=O)Nc1ccccc1[*:1])c1nc2ccccc2[nH]1
N#C[C@H](C(=O)c1nc2ncc(Br)cn2n1)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@H](C(=O)c1nc2ncc(Br)cn2n1)[*:1]
Cc1ncccc1NC(=O)CCc1cccs1 c1csc(c1)[*:1] Cc1ncccc1NC(=O)CC[*:1]
C(=C\c1ccccc1)\C=C\c1ccnc(N2CCOCC2)n1 C1CN(CCO1)[*:1] C(=C\c1ccccc1)\C=C\c1ccnc(n1)[*:1]
C(=C\c1ccccc1)\C=C\c1ccnc(N2CCOCC2)n1 c1ccc(cc1)[*:1] C(=C[*:1])/C=C/c1ccnc(n1)N1CCOCC1
Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 Brc1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)NS(=O)(=O)[*:1]
CCc1ccc(C(=O)CSc2nccn2C)cc1 Cn1ccnc1[*:1] CCc1ccc(cc1)C(=O)CS[*:1]
Cc1ccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4NC(=S)N3C2=O)o1 Cc1ccc(o1)[*:1] O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NC[*:1]
Cc1ccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4NC(=S)N3C2=O)o1 Cc1ccc(C[*:1])o1 O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)N[*:1]
C[C@@H](NC(=O)COC(=O)c1c(F)cccc1Cl)c1ccco1 C[C@@H](c1ccco1)[*:1] O=C(COC(=O)c1c(F)cccc1Cl)N[*:1]
C[C@@H](NC(=O)COC(=O)c1c(F)cccc1Cl)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)COC(=O)c1c(F)cccc1Cl)[*:1]
CN(C)/C=C(\C#N)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] CN(C)/C=C(\C#N)c1nc(cs1)[*:1]
CN(C)/C=C(\C#N)c1nc(-c2ccccc2)cs1 CN(C)[*:1] N#CC(=C[*:1])c1nc(cs1)-c1ccccc1
CCSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(C)c(Cl)c1 c1ccc(cc1)[*:1] CCSC1=NC(=C[*:1])C(=O)N1c1ccc(C)c(Cl)c1
CCSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(C)c(Cl)c1 Cc1ccc(cc1Cl)[*:1] CCSC1=N/C(=C\c2ccccc2)C(=O)N1[*:1]
O=C(NCc1coc(-c2ccccc2)n1)c1nc(-c2cccs2)n(-c2ccccc2)n1 c1csc(c1)[*:1] O=C(NCc1coc(n1)-c1ccccc1)c1nc(n(n1)-c1ccccc1)[*:1]
O=C(NCc1coc(-c2ccccc2)n1)c1nc(-c2cccs2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCc1coc(n1)-c1ccccc1)c1nc(-c2cccs2)n(n1)[*:1]
O=C(NCc1coc(-c2ccccc2)n1)c1nc(-c2cccs2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCc1coc(n1)[*:1])c1nc(-c2cccs2)n(n1)-c1ccccc1
CCOC(=O)[C@@H]1CCCN(C(=O)COc2cccc3c2OC(C)(C)C3)C1 CCOC(=O)[*:1] CC1(C)Cc2cccc(OCC(=O)N3CCC[C@H](C3)[*:1])c2O1
C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)cc1 C#CCO[*:1] C[C@H]([NH2+]C[C@@H]1CCCN(C1)c1ncccn1)c1ccc(cc1)[*:1]
C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)cc1 C#CC[*:1] C[C@H]([NH2+]C[C@@H]1CCCN(C1)c1ncccn1)c1ccc(cc1)O[*:1]
C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] C#CCOc1ccc(cc1)[C@H](C)[NH2+]C[C@@H]1CCCN(C1)[*:1]
CCOc1cccc(/C=C2/NC(=O)N(CC)C2=O)c1O CCO[*:1] CCN1C(=O)N/C(=C/c2cccc(c2O)[*:1])C1=O
CC[C@H](CCO)CNS(=O)(=O)[C@H](C)C#N OCC[*:1] CC[C@H](CNS(=O)(=O)[C@H](C)C#N)[*:1]
CC[C@H](CCO)CNS(=O)(=O)[C@H](C)C#N C[C@H](C#N)[*:1] CC[C@H](CCO)CNS(=O)(=O)[*:1]
C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CC1)c1ccsc1 c1cc(cs1)[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CC1)[*:1]
C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CC1)c1ccsc1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)N[*:1])c1ccsc1
COC(=O)N(C)Cc1ccc(NC(=O)C2(O)Cc3ccccc3C2)cc1 COC(=O)N(C)[*:1] O=C(Nc1ccc(cc1)C[*:1])C1(O)Cc2ccccc2C1
COC(=O)N(C)Cc1ccc(NC(=O)C2(O)Cc3ccccc3C2)cc1 COC(=O)N(C)C[*:1] O=C(Nc1ccc(cc1)[*:1])C1(O)Cc2ccccc2C1
COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccccc1)c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccccc1)[*:1]
COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccccc1)c1ccccc1Cl COC(=O)C[*:1] O=C(Nc1ccccc1)C(=O)N[C@@H](c1ccccc1Cl)[*:1]
COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccccc1)c1ccccc1Cl COC(=O)[*:1] O=C(Nc1ccccc1)C(=O)N[C@H](C[*:1])c1ccccc1Cl
COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccccc1)c1ccccc1Cl c1ccc(cc1)[*:1] COC(=O)C[C@@H](NC(=O)C(=O)N[*:1])c1ccccc1Cl
CC(C)(C)OC(=O)N1CCC[C@H](C[S@@](=O)c2ccc(Cl)nn2)C1 Clc1ccc(nn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[S@@](=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C[S@@](=O)c2ccc(Cl)nn2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)C[S@@](=O)c1ccc(Cl)nn1
CC[NH+](Cc1ccccc1C#N)C(C)C CC(C)[*:1] CC[NH+](Cc1ccccc1C#N)[*:1]
O=S(=O)(Oc1ccc(F)c(F)c1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(Oc1ccc(F)c(F)c1)[*:1]
CCn1cnnc1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 CCn1cnnc1[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CCn1cnnc1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] CCn1cnnc1CNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCn1cnnc1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 CCn1cnnc1C[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCOC(=O)C1CCN(/C=C(\C#N)S(=O)(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] CCOC(=O)C1CCN(/C=C(\C#N)S(=O)(=O)[*:1])CC1
CCOC(=O)C1CCN(/C=C(\C#N)S(=O)(=O)C(C)(C)C)CC1 CC(C)(C)S(=O)(=O)[*:1] CCOC(=O)C1CCN(C=C(C#N)[*:1])CC1
CCOC(=O)C1CCN(/C=C(\C#N)S(=O)(=O)C(C)(C)C)CC1 CCOC(=O)[*:1] CC(C)(C)S(=O)(=O)/C(C#N)=C/N1CCC(CC1)[*:1]
Cc1csc([C@H]2CCCN(Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 O=[N+]([O-])[*:1] Cc1csc(n1)[C@H]1CCCN(Cc2cc(O)ccc2[*:1])C1
Cc1csc([C@H]2CCCN(Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 Cc1csc(n1)[*:1] O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H](C1)[*:1]
O=C(NCC1CCN(c2nsc3ccccc23)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)Oc1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)c1nsc2ccccc12)C(=O)N[*:1]
O=C(NCC1CCN(c2nsc3ccccc23)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 c1ccc2c(nsc2c1)[*:1] O=C(NCC1CCN(CC1)[*:1])C(=O)Nc1ccc(cc1)OC(F)(F)F
O=C(NCC1CCN(c2nsc3ccccc23)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(NCC1CCN(CC1)c1nsc2ccccc12)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCC1CCN(c2nsc3ccccc23)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCC1CCN(CC1)c1nsc2ccccc12)C(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(C)cc1NC(=O)COC(=O)c1cccnc1Cl Clc1ncccc1[*:1] COc1ccc(C)cc1NC(=O)COC(=O)[*:1]
O=C(NCC[NH+]1CCC(c2ccsc2)CC1)c1ccc(F)cc1Cl c1cc(cs1)[*:1] O=C(NCC[NH+]1CCC(CC1)[*:1])c1ccc(F)cc1Cl
O=C(NCC[NH+]1CCC(c2ccsc2)CC1)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C(NCC[NH+]1CCC(CC1)c1ccsc1)[*:1]
O=C(NCCC1=c2ccccc2=[NH+]C1)c1cccnc1Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)c1cccnc1Nc1cccc(c1)[*:1]
O=C(NCCC1=c2ccccc2=[NH+]C1)c1cccnc1Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)c1cccnc1N[*:1]
CC1(C)CCC[C@H]1NC(=O)NCCC(=O)NC1CCCC1 C1CCC(C1)[*:1] CC1(C)CCC[C@H]1NC(=O)NCCC(=O)N[*:1]
C[C@]12CO[C@]3(C(=O)Nc4cccc(Cl)c4)C[C@H]1CC[C@]23C Clc1cccc(c1)[*:1] C[C@]12CO[C@@]3(C[C@H]1CC[C@]23C)C(=O)N[*:1]
C/C(NC(=O)c1cccs1)=C1\C(=O)C[C@H]2[C@@H]1C2(C)C c1csc(c1)[*:1] C/C(NC(=O)[*:1])=C1\C(=O)C[C@H]2[C@@H]1C2(C)C
CCN(Cc1ccco1)Cc1nnc(C)o1 c1coc(c1)[*:1] CCN(Cc1nnc(C)o1)C[*:1]
CC(C)c1ccc([C@@H](NC(=O)NCc2ncn(C)n2)c2cccs2)cc1 c1csc(c1)[*:1] CC(C)c1ccc(cc1)[C@@H](NC(=O)NCc1ncn(C)n1)[*:1]
CC(C)c1ccc([C@@H](NC(=O)NCc2ncn(C)n2)c2cccs2)cc1 Cn1cnc(n1)[*:1] CC(C)c1ccc(cc1)[C@@H](NC(=O)NC[*:1])c1cccs1
CC(C)c1ccc([C@@H](NC(=O)NCc2ncn(C)n2)c2cccs2)cc1 CC(C)[*:1] Cn1cnc(CNC(=O)N[C@H](c2ccc(cc2)[*:1])c2cccs2)n1
CC(C)c1ccc([C@@H](NC(=O)NCc2ncn(C)n2)c2cccs2)cc1 Cn1cnc(C[*:1])n1 CC(C)c1ccc(cc1)[C@@H](NC(=O)N[*:1])c1cccs1
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Sc2ncn[nH]2)cc1 c1n[nH]c(n1)[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)S[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Sc2ncn[nH]2)cc1 c1n[nH]c(n1)S[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc2cc(C(=O)N3CCC[C@@H](OC)C3)[nH]c2c1 CCO[*:1] CO[C@@H]1CCCN(C1)C(=O)c1cc2ccc(cc2[nH]1)[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC(CC1)O[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)CO[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC(CC1)[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC(CC1)OC[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 N#Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N1CCC(CC1)OC[C@H]1CCCO1
CC[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 c1ccc(cc1)[*:1] CC[C@H]1Oc2ccccc2[C@H]2CC(=NN12)[*:1]
C[C@@H](c1cccs1)N(C)Cn1nc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)oc1=S c1csc(c1)[*:1] C[C@@H](N(C)Cn1nc(oc1=S)-c1cccc(c1)S(=O)(=O)N1CCCCC1)[*:1]
C[C@@H](c1cccs1)N(C)Cn1nc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)oc1=S O=S(=O)(N1CCCCC1)[*:1] C[C@@H](c1cccs1)N(C)Cn1nc(oc1=S)-c1cccc(c1)[*:1]
COc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H]1CC(=O)N(C1)c1ccc2OCOc2c1)N[*:1]
COc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)NC(=O)NC[C@H]1CC(=O)N(C1)[*:1]
O=[N+]([O-])c1cnc(SC2CCCC2)nc1NC1CC1 C1CCC(C1)S[*:1] O=[N+]([O-])c1cnc(nc1NC1CC1)[*:1]
O=[N+]([O-])c1cnc(SC2CCCC2)nc1NC1CC1 C1CCC(C1)[*:1] O=[N+]([O-])c1cnc(nc1NC1CC1)S[*:1]
O=[N+]([O-])c1cnc(SC2CCCC2)nc1NC1CC1 O=[N+]([O-])[*:1] c1nc(nc(NC2CC2)c1[*:1])SC1CCCC1
O=[N+]([O-])c1cnc(SC2CCCC2)nc1NC1CC1 C1CC1[*:1] O=[N+]([O-])c1cnc(nc1N[*:1])SC1CCCC1
O=[N+]([O-])c1cnc(SC2CCCC2)nc1NC1CC1 C1CC1N[*:1] O=[N+]([O-])c1cnc(nc1[*:1])SC1CCCC1
CCCCn1c(S[C@H](C)C#N)nc2ccccc2c1=O CCCC[*:1] C[C@H](C#N)Sc1nc2ccccc2c(=O)n1[*:1]
CCCCn1c(S[C@H](C)C#N)nc2ccccc2c1=O CCC[*:1] C[C@H](C#N)Sc1nc2ccccc2c(=O)n1C[*:1]
Cc1ncc([C@@H](C)NCCc2c[nH]c3ccccc23)s1 Cc1ncc(s1)[*:1] C[C@@H](NCCc1c[nH]c2ccccc12)[*:1]
Cc1nn(C)c2c1nc([C@H](C)Cl)n2C(C)(C)C(N)=O CC(C)(C(N)=O)[*:1] Cc1nn(C)c2c1nc([C@H](C)Cl)n2[*:1]
Cc1nn(C)c2c1nc([C@H](C)Cl)n2C(C)(C)C(N)=O NC(=O)[*:1] Cc1nn(C)c2c1nc([C@H](C)Cl)n2C(C)(C)[*:1]
Cc1nn(C)c2c1nc([C@H](C)Cl)n2C(C)(C)C(N)=O C[C@H](Cl)[*:1] Cc1nn(C)c2c1nc(n2C(C)(C)C(N)=O)[*:1]
COCCCN(C)c1ncnc2sc(C)cc12 COCCC[*:1] Cc1cc2c(ncnc2s1)N(C)[*:1]
COCCCN(C)c1ncnc2sc(C)cc12 COC[*:1] Cc1cc2c(ncnc2s1)N(C)CC[*:1]
COCCCN(C)c1ncnc2sc(C)cc12 COCC[*:1] Cc1cc2c(ncnc2s1)N(C)C[*:1]
Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2C(C)C)no1 Cc1nc(no1)[*:1] CC(C)c1ccccc1NC(=O)[C@H](C)S(=O)(=O)C[*:1]
Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2C(C)C)no1 CC(C)[*:1] Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2[*:1])no1
Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccccc2C(C)C)no1 Cc1nc(C[*:1])no1 CC(C)c1ccccc1NC(=O)[C@H](C)S(=O)(=O)[*:1]
CC(=O)N1CCc2cc(NC(=O)c3cn(C)nc3-c3ccccc3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)c1cn(C)nc1[*:1]
NC(=O)c1cnc2n1CCN(C(=O)Cc1n[nH]c3ccccc13)C2 NC(=O)[*:1] O=C(Cc1n[nH]c2ccccc12)N1CCn2c(cnc2C1)[*:1]
COc1ccc(CNC(=O)CN2C(=O)N(c3cccc(Cl)c3)S(=O)(=O)c3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C(CN1C(=O)N(c2cccc(Cl)c2)S(=O)(=O)c2ccccc21)NC[*:1]
COc1ccc(CNC(=O)CN2C(=O)N(c3cccc(Cl)c3)S(=O)(=O)c3ccccc32)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)CNC(=O)CN1C(=O)N(S(=O)(=O)c2ccccc21)[*:1]
COc1ccc(CNC(=O)CN2C(=O)N(c3cccc(Cl)c3)S(=O)(=O)c3ccccc32)cc1 COc1ccc(cc1)C[*:1] O=C(CN1C(=O)N(c2cccc(Cl)c2)S(=O)(=O)c2ccccc21)N[*:1]
O=C1c2cccc3c(N4CCCC4)ccc(c23)C(=O)N1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C1c2cccc3c(ccc(C(=O)N1[*:1])c23)N1CCCC1
O=C1c2cccc3c(N4CCCC4)ccc(c23)C(=O)N1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1c2cccc3c(ccc(C(=O)N1CC[*:1])c23)N1CCCC1
O=C1c2cccc3c(N4CCCC4)ccc(c23)C(=O)N1CCc1ccccc1 C1CCN(C1)[*:1] O=C1c2cccc3c(ccc(C(=O)N1CCc1ccccc1)c23)[*:1]
O=C1c2cccc3c(N4CCCC4)ccc(c23)C(=O)N1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1c2cccc3c(ccc(C(=O)N1C[*:1])c23)N1CCCC1
COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 COC[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)[*:1]
COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 COC[C@H](C)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[*:1])C1
Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)o1 Cc1ccc(o1)[*:1] O=C(NN=C[*:1])c1ccc(cc1)NC(=O)c1ccccc1
Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)o1 c1ccc(cc1)[*:1] Cc1ccc(/C=N/NC(=O)c2ccc(cc2)NC(=O)[*:1])o1
O=C(CSc1ccccc1)Nc1ccccc1O c1ccc(cc1)[*:1] O=C(CS[*:1])Nc1ccccc1O
C[C@@](O)(C#C[C@@](C)(O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@](O)(C#C[C@@](C)(O)[*:1])c1ccccc1
CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12 CSC[*:1] O=C(N[C@@H](C[*:1])C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12)c1ccco1
CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12 c1coc(c1)[*:1] CSCC[C@H](NC(=O)[*:1])C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12
CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12 CSCC[*:1] O=C(N[C@H](C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12)[*:1])c1ccco1
CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12 O=C(N[*:1])c1ccco1 CSCC[C@H](C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12)[*:1]
COC(=O)c1c(C)nsc1NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 COC(=O)[*:1] Cc1nsc(NC(=O)N2C[C@@H](C)O[C@@H](C2)c2ccccc2)c1[*:1]
COC(=O)c1c(C)nsc1NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)c1c(C)nsc1NC(=O)N1C[C@@H](C)O[C@H](C1)[*:1]
COc1ccc2nc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)sc2c1 Fc1ccc(cc1)[*:1] COc1ccc2nc(sc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)(O)CCOc1ccc(N)cc1Cl CC(C)(O)[*:1] Nc1ccc(OCC[*:1])c(Cl)c1
CC(C)(O)CCOc1ccc(N)cc1Cl CC(C)(O)C[*:1] Nc1ccc(OC[*:1])c(Cl)c1
C[C@@H](Oc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 Brc1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1)c1nc(no1)[*:1]
C[C@@H](Oc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])c1nc(no1)-c1ccc(Br)cc1
C[C@@H](Oc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 c1ccc(cc1)O[*:1] C[C@@H](c1nc(no1)-c1ccc(Br)cc1)[*:1]
[NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(-n3cccn3)cc2)O1 c1cnn(c1)[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3nc4c(C)cccc4s3)cc2)cc1 Cc1cccc2sc(nc12)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)N[*:1]
CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3nc4c(C)cccc4s3)cc2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1cccc2sc(nc12)NC(=O)c1ccc(cc1)CNS(=O)(=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3nc4c(C)cccc4s3)cc2)cc1 CC(=O)[*:1] Cc1cccc2sc(nc12)NC(=O)c1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)[*:1]
Cc1nonc1OCCNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 Cc1nonc1O[*:1] O=C(NCC[*:1])[C@@H]1CCCN1C(=O)C1CCCCC1
Cc1nonc1OCCNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 Cc1nonc1OC[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)C1CCCCC1
Cc1nonc1OCCNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 C1CCC(CC1)[*:1] Cc1nonc1OCCNC(=O)[C@@H]1CCCN1C(=O)[*:1]
Cc1nonc1OCCNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 Cc1nonc1[*:1] O=C(NCCO[*:1])[C@@H]1CCCN1C(=O)C1CCCCC1
CC(=O)N[C@H](CSCC(=O)Nc1ccc2c(c1)N1CC[NH+]=C1S2)C(=O)[O-] CC(=O)N[*:1] O=C(CSC[C@H](C(=O)[O-])[*:1])Nc1ccc2SC3=[NH+]CCN3c2c1
CC(=O)N[C@H](CSCC(=O)Nc1ccc2c(c1)N1CC[NH+]=C1S2)C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@H](CSCC(=O)Nc1ccc2SC3=[NH+]CCN3c2c1)[*:1]
CSc1ccccc1C(=O)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 c1ccc2oc(cc2c1)[*:1] CSc1ccccc1C(=O)NCC1CCN(CC1)C(=O)[*:1]
CSc1ccccc1C(=O)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 CSc1ccccc1[*:1] O=C(c1cc2ccccc2o1)N1CCC(CC1)CNC(=O)[*:1]
COc1ccc(-c2c[nH+]c(N)c(C(=O)[O-])c2)c(C)c1 O=C([O-])[*:1] COc1ccc(-c2c[nH+]c(N)c(c2)[*:1])c(C)c1
Cc1ccnc(SCCn2c(N3CC[NH+](Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 Cc1ccnc(n1)SCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](CC1)Cc1ccccc1)n2[*:1]
Cc1ccnc(SCCn2c(N3CC[NH+](Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 Cc1ccnc(n1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](CC1)Cc1ccccc1)n2CCS[*:1]
Cc1ccnc(SCCn2c(N3CC[NH+](Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 c1ccc(cc1)C[*:1] Cc1ccnc(n1)SCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH+](CC1)[*:1]
Cc1ccnc(SCCn2c(N3CC[NH+](Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 c1ccc(cc1)[*:1] Cc1ccnc(n1)SCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CC[NH+](CC1)C[*:1]
Cc1ccnc(SCCn2c(N3CC[NH+](Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 Cc1ccnc(n1)SC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](CC1)Cc1ccccc1)n2C[*:1]
Cc1ccnc(SCCn2c(N3CC[NH+](Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 Cc1ccnc(n1)S[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](CC1)Cc1ccccc1)n2CC[*:1]
O[C@H](Cc1nccs1)c1ccc(C(F)(F)F)cc1 c1csc(C[*:1])n1 O[C@H](c1ccc(cc1)C(F)(F)F)[*:1]
O[C@H](Cc1nccs1)c1ccc(C(F)(F)F)cc1 c1csc(n1)[*:1] O[C@H](C[*:1])c1ccc(cc1)C(F)(F)F
O[C@H](Cc1nccs1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O[C@H](Cc1nccs1)c1ccc(cc1)[*:1]
O=C(NCc1cccc(Cn2cncn2)c1)c1cc2c([nH]c1=O)CCCC2 c1ncn(C[*:1])n1 O=C(NCc1cccc(c1)[*:1])c1cc2CCCCc2[nH]c1=O
O=C(NCc1cccc(Cn2cncn2)c1)c1cc2c([nH]c1=O)CCCC2 c1ncn(n1)[*:1] O=C(NCc1cccc(c1)C[*:1])c1cc2CCCCc2[nH]c1=O
C[C@@H](CNC(=O)c1cccc(SCC#N)c1)c1cccs1 N#CC[*:1] C[C@@H](CNC(=O)c1cccc(c1)S[*:1])c1cccs1
C[C@@H](CNC(=O)c1cccc(SCC#N)c1)c1cccs1 C[C@@H](c1cccs1)[*:1] N#CCSc1cccc(c1)C(=O)NC[*:1]
C[C@@H](CNC(=O)c1cccc(SCC#N)c1)c1cccs1 N#CCS[*:1] C[C@@H](CNC(=O)c1cccc(c1)[*:1])c1cccs1
C[C@@H](CNC(=O)c1cccc(SCC#N)c1)c1cccs1 c1csc(c1)[*:1] C[C@@H](CNC(=O)c1cccc(c1)SCC#N)[*:1]
COc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 COc1cccc(c1)[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1[*:1])C(=O)NC1CCCC1
COc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] COc1cccc(c1)N1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)N[*:1]
COc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 O=C(NC1CCCC1)[*:1] COc1cccc(c1)N1C(=O)c2cc3ccccc3n2C[C@@]1(C)[*:1]
Cn1nc2c(cc1=O)CN(Cc1ccccc1N1CCOCC1)CC2 C1CN(CCO1)[*:1] Cn1nc2CCN(Cc3ccccc3[*:1])Cc2cc1=O
CCc1nc([C@@H](C)NC(=O)c2ccc(-n3cccc3)nc2)cs1 CCc1nc(cs1)[*:1] C[C@@H](NC(=O)c1ccc(nc1)-n1cccc1)[*:1]
CCc1nc([C@@H](C)NC(=O)c2ccc(-n3cccc3)nc2)cs1 c1ccn(c1)[*:1] CCc1nc(cs1)[C@@H](C)NC(=O)c1ccc(nc1)[*:1]
COc1ccccc1-n1cc(C(=O)N2CCNC[C@@H]2C(=O)NC2CC2)cn1 C1CC1[*:1] COc1ccccc1-n1cc(cn1)C(=O)N1CCNC[C@@H]1C(=O)N[*:1]
COc1ccccc1-n1cc(C(=O)N2CCNC[C@@H]2C(=O)NC2CC2)cn1 O=C(NC1CC1)[*:1] COc1ccccc1-n1cc(cn1)C(=O)N1CCNC[C@H]1[*:1]
COc1ccccc1-n1cc(C(=O)N2CCNC[C@@H]2C(=O)NC2CC2)cn1 COc1ccccc1[*:1] O=C(NC1CC1)[C@H]1CNCCN1C(=O)c1cnn(c1)[*:1]
[NH3+]CCn1cc(C(=O)N[C@@H]2CCCCC[C@H]2C(=O)[O-])nn1 [NH3+]CC[*:1] O=C(N[C@@H]1CCCCC[C@H]1C(=O)[O-])c1cn(nn1)[*:1]
[NH3+]CCn1cc(C(=O)N[C@@H]2CCCCC[C@H]2C(=O)[O-])nn1 O=C([O-])[*:1] [NH3+]CCn1cc(nn1)C(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
CC[C@@H]1C(=O)NCCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)C[*:1] CC[C@@H]1C(=O)NCCN1C(=O)Cc1csc(n1)[*:1]
CC[C@@H]1C(=O)NCCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC[C@@H]1C(=O)NCCN1C(=O)Cc1csc(C[*:1])n1
O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)C[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccn1)c1cn(nc1-c1cccs1)[*:1]
O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccn1)c1cn(C[*:1])nc1-c1cccs1
O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cn(Cc2ccccc2)nc1-c1cccs1 c1csc(c1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccn1)c1cn(Cc2ccccc2)nc1[*:1]
O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(nc1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1cn(Cc2ccccc2)nc1-c1cccs1
O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(C[*:1])nc1 O=C(NC1CC[NH+](CC1)[*:1])c1cn(Cc2ccccc2)nc1-c1cccs1
CCCc1cc(NC(=O)NCCc2nc(CC)c(C)s2)n(C)n1 CCC[*:1] CCc1nc(CCNC(=O)Nc2cc(nn2C)[*:1])sc1C
Cc1nc2ccc(N[C@@H](C)C(=O)NCCc3ccc(F)cc3)cc2s1 Fc1ccc(cc1)[*:1] Cc1nc2ccc(cc2s1)N[C@@H](C)C(=O)NCC[*:1]
Cc1nc2ccc(N[C@@H](C)C(=O)NCCc3ccc(F)cc3)cc2s1 Fc1ccc(cc1)C[*:1] Cc1nc2ccc(cc2s1)N[C@@H](C)C(=O)NC[*:1]
COc1cccc(C[NH+]2CCC(c3ncc4c(n3)CCN(C(C)=O)C4)CC2)c1 COc1cccc(c1)C[*:1] CC(=O)N1CCc2nc(ncc2C1)C1CC[NH+](CC1)[*:1]
COc1cccc(C[NH+]2CCC(c3ncc4c(n3)CCN(C(C)=O)C4)CC2)c1 COc1cccc(c1)[*:1] CC(=O)N1CCc2nc(ncc2C1)C1CC[NH+](CC1)C[*:1]
CCCn1ncc(N)c1C(C)C CCC[*:1] CC(C)c1c(N)cnn1[*:1]
CCCn1ncc(N)c1C(C)C CC(C)[*:1] CCCn1ncc(N)c1[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)C1CC=CC1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)C1CC=CC1
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCc3ccccc3C2)cc1Cl CCO[*:1] C[C@@H](NS(=O)(=O)c1ccc(c(Cl)c1)[*:1])C(=O)N1CCc2ccccc2C1
COc1cccc(-c2nc(C[NH+](C)Cc3ccc(C)o3)cs2)c1 Cc1ccc(C[*:1])o1 COc1cccc(c1)-c1nc(cs1)C[NH+](C)[*:1]
COc1cccc(-c2nc(C[NH+](C)Cc3ccc(C)o3)cs2)c1 Cc1ccc(o1)[*:1] COc1cccc(c1)-c1nc(cs1)C[NH+](C)C[*:1]
COc1ccc([C@@H]2[C@@H](NC(=O)Cc3nonc3C)[C@H]3CCCC[C@H]32)cc1 Cc1nonc1[*:1] COc1ccc(cc1)[C@@H]1[C@@H](NC(=O)C[*:1])[C@H]2CCCC[C@H]21
COc1ccc([C@@H]2[C@@H](NC(=O)Cc3nonc3C)[C@H]3CCCC[C@H]32)cc1 Cc1nonc1C[*:1] COc1ccc(cc1)[C@@H]1[C@@H](NC(=O)[*:1])[C@H]2CCCC[C@H]21
COc1ccc([C@@H]2[C@@H](NC(=O)Cc3nonc3C)[C@H]3CCCC[C@H]32)cc1 COc1ccc(cc1)[*:1] Cc1nonc1CC(=O)N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1[*:1]
C[C@H](O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccnc3)nc2)C1 C[C@H](O)[*:1] O=C(Nc1ccc(nc1)Oc1cccnc1)N1CCC[C@@H](C1)[*:1]
C[C@H](O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccnc3)nc2)C1 c1cncc(c1)O[*:1] C[C@H](O)[C@H]1CCCN(C1)C(=O)Nc1ccc(nc1)[*:1]
C[C@H](O)[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccnc3)nc2)C1 c1cncc(c1)[*:1] C[C@H](O)[C@H]1CCCN(C1)C(=O)Nc1ccc(nc1)O[*:1]
CC(C)Oc1ccc(S(=O)(=O)N[C@@H](C)C2CCC2)cc1 CC(C)[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)O[*:1])C1CCC1
CC(C)Oc1ccc(S(=O)(=O)N[C@@H](C)C2CCC2)cc1 C1CC(C1)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)N[C@@H](C)[*:1]
CC(C)Oc1ccc(S(=O)(=O)N[C@@H](C)C2CCC2)cc1 C[C@@H](C1CCC1)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)Oc1ccc(S(=O)(=O)N[C@@H](C)C2CCC2)cc1 CC(C)O[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)[*:1])C1CCC1
Cc1cccc(N/C([O-])=C(\C#N)C(=O)Cn2nc3n(c2=O)CCCCC3)c1 Cc1cccc(c1)N[*:1] N#C/C(C(=O)Cn1nc2CCCCCn2c1=O)=C(/[O-])[*:1]
Cc1cccc(N/C([O-])=C(\C#N)C(=O)Cn2nc3n(c2=O)CCCCC3)c1 Cc1cccc(c1)[*:1] N#C/C(C(=O)Cn1nc2CCCCCn2c1=O)=C(/[O-])N[*:1]
COc1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)N2CCC[C@@H]2C[*:1])c(C)c1
COc1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)c(C)c1 c1ccc(cc1)C[*:1] COc1ccc(NC(=O)N2CCC[C@H]2[*:1])c(C)c1
Cc1nn(CC(C)C)c(Cl)c1C[NH+]1CCCCC1 CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1C[NH+]1CCCCC1
Cc1nn(CC(C)C)c(Cl)c1C[NH+]1CCCCC1 CC(C)C[*:1] Cc1nn(c(Cl)c1C[NH+]1CCCCC1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)C[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC[C@](C)(C1)C(=O)N[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 CCC(=O)N[*:1] C[C@]1(CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1])C(=O)NCc1ccc(F)cc1
CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC[C@](C)(C1)C(=O)NC[*:1]
O=C(NC[C@@H]1CCCCO1)c1cc(COc2cccc(C(F)(F)F)c2)on1 FC(F)(F)[*:1] O=C(NC[C@@H]1CCCCO1)c1cc(COc2cccc(c2)[*:1])on1
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cc3ccccc3)c1)CS2 FC(F)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1ccc(O[*:1])c(c1)Cc1ccccc1
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cc3ccccc3)c1)CS2 FC(F)O[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1ccc(c(c1)Cc1ccccc1)[*:1]
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cc3ccccc3)c1)CS2 c1ccc(cc1)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1ccc(OC(F)F)c(c1)C[*:1]
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cc3ccccc3)c1)CS2 c1ccc(cc1)C[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1ccc(OC(F)F)c(c1)[*:1]
C[C@@]1(C(=O)NC2CCCCC2)Cn2c(nc3ccccc32)C(=O)N1CCCc1ccccc1 c1ccc(cc1)[*:1] C[C@]1(Cn2c(nc3ccccc32)C(=O)N1CCC[*:1])C(=O)NC1CCCCC1
C[C@@]1(C(=O)NC2CCCCC2)Cn2c(nc3ccccc32)C(=O)N1CCCc1ccccc1 c1ccc(cc1)CC[*:1] C[C@]1(Cn2c(nc3ccccc32)C(=O)N1C[*:1])C(=O)NC1CCCCC1
C[C@@]1(C(=O)NC2CCCCC2)Cn2c(nc3ccccc32)C(=O)N1CCCc1ccccc1 O=C(NC1CCCCC1)[*:1] C[C@]1(Cn2c(nc3ccccc32)C(=O)N1CCCc1ccccc1)[*:1]
C[C@@]1(C(=O)NC2CCCCC2)Cn2c(nc3ccccc32)C(=O)N1CCCc1ccccc1 c1ccc(cc1)CCC[*:1] C[C@]1(Cn2c(nc3ccccc32)C(=O)N1[*:1])C(=O)NC1CCCCC1
C[C@@]1(C(=O)NC2CCCCC2)Cn2c(nc3ccccc32)C(=O)N1CCCc1ccccc1 C1CCC(CC1)[*:1] C[C@]1(Cn2c(nc3ccccc32)C(=O)N1CCCc1ccccc1)C(=O)N[*:1]
C[C@@]1(C(=O)NC2CCCCC2)Cn2c(nc3ccccc32)C(=O)N1CCCc1ccccc1 c1ccc(cc1)C[*:1] C[C@]1(Cn2c(nc3ccccc32)C(=O)N1CC[*:1])C(=O)NC1CCCCC1
CCCN(c1[nH+]ncc2ccccc12)C1CCC([NH3+])CC1 [NH3+]C1CCC(CC1)[*:1] CCCN(c1[nH+]ncc2ccccc12)[*:1]
CCCN(c1[nH+]ncc2ccccc12)C1CCC([NH3+])CC1 CCC[*:1] [NH3+]C1CCC(CC1)N(c1[nH+]ncc2ccccc12)[*:1]
CNc1nc(C)c(C#N)c(-c2ccccc2)c1C(C)=O CC(=O)[*:1] CNc1nc(C)c(C#N)c(-c2ccccc2)c1[*:1]
CNc1nc(C)c(C#N)c(-c2ccccc2)c1C(C)=O c1ccc(cc1)[*:1] CNc1nc(C)c(C#N)c(c1C(C)=O)[*:1]
CC[NH2+][C@H]1[C@@H](N(C)CCS(C)(=O)=O)CCC1(C)C CS(=O)(=O)C[*:1] CC[NH2+][C@H]1[C@H](CCC1(C)C)N(C)C[*:1]
CC[NH2+][C@H]1[C@@H](N(C)CCS(C)(=O)=O)CCC1(C)C CS(=O)(=O)CC[*:1] CC[NH2+][C@H]1[C@H](CCC1(C)C)N(C)[*:1]
CC[NH2+][C@H]1[C@@H](N(C)CCS(C)(=O)=O)CCC1(C)C CS(=O)(=O)[*:1] CC[NH2+][C@H]1[C@H](CCC1(C)C)N(C)CC[*:1]
Cc1ccccc1C(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4F)c3n2)CC1 Fc1ccccc1C[*:1] Cc1ccccc1C(=O)N1CCC(CC1)c1nc(O)c2nnn(c2n1)[*:1]
Cc1ccccc1C(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4F)c3n2)CC1 Fc1ccccc1[*:1] Cc1ccccc1C(=O)N1CCC(CC1)c1nc(O)c2nnn(C[*:1])c2n1
Cc1ccccc1C(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4F)c3n2)CC1 Cc1ccccc1[*:1] O=C(N1CCC(CC1)c1nc(O)c2nnn(Cc3ccccc3F)c2n1)[*:1]
Cc1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc12 c1coc(c1)[*:1] Cc1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(CNC(=O)c2n[nH]c3c2CCC3)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)c2n[nH]c3CCCc23)c(c1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NC(=N)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1onc(-c2ccccc2)c1C(=O)NC(=N)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NC(=N)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)NC(=N)c1ccc(Cl)cc1)[*:1]
COC(=O)c1cc(Cl)cc2[nH]ncc12 COC(=O)[*:1] Clc1cc(c2cn[nH]c2c1)[*:1]
Cc1cc(OS(=O)(=O)c2ccc(F)cc2)ccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])OS(=O)(=O)[*:1]
Cc1cc(OS(=O)(=O)c2ccc(F)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])OS(=O)(=O)c1ccc(F)cc1
CC(C)[C@H](C1CCCC1)[C@H](C)O C[C@H](O)[*:1] CC(C)[C@H](C1CCCC1)[*:1]
CC(C)[C@H](C1CCCC1)[C@H](C)O CC(C)[*:1] C[C@H](O)[C@@H](C1CCCC1)[*:1]
CCOC(=O)C1CCC(N2CCC[NH+](CC(=O)N3CCCC3)CC2)CC1 O=C(N1CCCC1)[*:1] CCOC(=O)C1CCC(CC1)N1CCC[NH+](CC1)C[*:1]
CCOC(=O)C1CCC(N2CCC[NH+](CC(=O)N3CCCC3)CC2)CC1 O=C(C[*:1])N1CCCC1 CCOC(=O)C1CCC(CC1)N1CCC[NH+](CC1)[*:1]
CCOC(=O)C1CCC(N2CCC[NH+](CC(=O)N3CCCC3)CC2)CC1 CCOC(=O)[*:1] O=C(C[NH+]1CCCN(CC1)C1CCC(CC1)[*:1])N1CCCC1
C[C@@H]1CCCC[C@@H]1N(C)C(=O)/C=C/c1ccc(OCC#N)cc1 N#CCO[*:1] C[C@@H]1CCCC[C@@H]1N(C)C(=O)/C=C/c1ccc(cc1)[*:1]
C[C@@H]1CCCC[C@@H]1N(C)C(=O)/C=C/c1ccc(OCC#N)cc1 N#CC[*:1] C[C@@H]1CCCC[C@@H]1N(C)C(=O)/C=C/c1ccc(cc1)O[*:1]
Cc1cc(F)ccc1C(=O)OCc1nncn1C1CC1 C1CC1[*:1] Cc1cc(F)ccc1C(=O)OCc1nncn1[*:1]
COc1cc(F)cc(CNC(=O)c2sccc2Br)c1 Brc1ccsc1[*:1] COc1cc(F)cc(c1)CNC(=O)[*:1]
CS[C@@H](C)C(=O)NNC(=O)[C@H]1CCCO1 CS[C@@H](C)[*:1] O=C(NNC(=O)[*:1])[C@H]1CCCO1
CS[C@@H](C)C(=O)NNC(=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CS[C@@H](C)C(=O)NNC(=O)[*:1]
NC(=O)[C@@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc21 NC(=O)[*:1] O=C(c1ccc2cc[nH]c2c1)N1CC[C@H](c2ccccc21)[*:1]
CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3F)c2)CC1 Fc1ccccc1[*:1] CN1CCN(CC1)S(=O)(=O)c1cccc(c1)NC(=O)[C@@H]1C[C@H]1[*:1]
COc1ccc2c(C)c(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)oc2c1 CS(=O)(=O)[*:1] COc1ccc2c(C)c(oc2c1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
COc1ccc(OC)c2c1CN(c1ncc(C(F)(F)F)cc1Cl)C[C@H]2O FC(F)(F)[*:1] COc1ccc(OC)c2c1CN(C[C@H]2O)c1ncc(cc1Cl)[*:1]
O=C(CCc1ccncc1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 c1cc(ccn1)[*:1] O=C(CC[*:1])N1C[C@H](CO)[C@H](CN2CCOCC2)C1
O=C(CCc1ccncc1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 c1cc(ccn1)C[*:1] O=C(C[*:1])N1C[C@H](CO)[C@H](CN2CCOCC2)C1
O=C(CCc1ccncc1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] O=C(CCc1ccncc1)N1C[C@H](CO)[C@H](C1)[*:1]
O=C(CCc1ccncc1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] O=C(CCc1ccncc1)N1C[C@H](CO)[C@@H](C1)C[*:1]
O=C(CCc1ccncc1)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 c1cc(ccn1)CC[*:1] O=C(N1C[C@H](CO)[C@H](CN2CCOCC2)C1)[*:1]
O=C(NNc1cccnc1Cl)c1sccc1OC(F)F FC(F)O[*:1] O=C(NNc1cccnc1Cl)c1sccc1[*:1]
O=C(NNc1cccnc1Cl)c1sccc1OC(F)F FC(F)[*:1] O=C(NNc1cccnc1Cl)c1sccc1O[*:1]
Cc1c(O)nc(SCC(N)=O)n(-c2ccc(F)cc2)c1=O NC(=O)[*:1] Cc1c(O)nc(SC[*:1])n(-c2ccc(F)cc2)c1=O
Cc1c(O)nc(SCC(N)=O)n(-c2ccc(F)cc2)c1=O NC(=O)C[*:1] Cc1c(O)nc(S[*:1])n(-c2ccc(F)cc2)c1=O
Cc1c(O)nc(SCC(N)=O)n(-c2ccc(F)cc2)c1=O NC(=O)CS[*:1] Cc1c(O)nc(n(-c2ccc(F)cc2)c1=O)[*:1]
Cc1c(O)nc(SCC(N)=O)n(-c2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] Cc1c(O)nc(SCC(N)=O)n(c1=O)[*:1]
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(C=C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)[*:1]
O=C1CCc2cc(NC(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)ccc2N1 c1ccc(cc1)[*:1] O=C1CCc2cc(ccc2N1)NC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
O=C1CCc2cc(NC(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)ccc2N1 Fc1ccc(cc1)[*:1] O=C1CCc2cc(ccc2N1)NC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2nccn2C)CC1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](c1nccn1C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2nccn2C)CC1 O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](c1ccccc1)c1nccn1C)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2nccn2C)CC1 Cn1ccnc1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](c1ccccc1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2nccn2C)CC1 Cc1ccc(cc1[*:1])[N+](=O)[O-] Cn1ccnc1[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1
CC[NH+]1CCC(N(C)CCc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] CC[NH+]1CCC(CC1)N(C)CCc1ccc(cc1)[*:1]
C[C@H](OCCC[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] C[C@H](OCCC[C@@H]1CCC[NH2+]C1)[*:1]
CC[C@H](NC(=O)N(C)C1CCOCC1)c1ccc(F)cc1F C1CC(CCO1)[*:1] CC[C@H](NC(=O)N(C)[*:1])c1ccc(F)cc1F
COc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=[NH+][*:1]
COc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c(OC)c1 c1coc(c1)C[*:1] COc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)N[*:1])c(c1)OC
COc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c(OC)c1 O=C(NCc1ccco1)[*:1] COc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2[*:1])c(c1)OC
COc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c(OC)c1 c1coc(c1)[*:1] COc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)NC[*:1])c(c1)OC
O=C1CCOC[C@]2(CN(Cc3ccccc3-n3cccn3)C[C@H]2c2cccnc2)N1 c1cnn(c1)[*:1] O=C1CCOC[C@]2(CN(Cc3ccccc3[*:1])C[C@H]2c2cccnc2)N1
O=C1CCOC[C@]2(CN(Cc3ccccc3-n3cccn3)C[C@H]2c2cccnc2)N1 c1cncc(c1)[*:1] O=C1CCOC[C@]2(CN(Cc3ccccc3-n3cccn3)C[C@@H]2[*:1])N1
CC/[NH+]=C(/NCC1(C)CCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 CC1(CCCC1)[*:1] CC/[NH+]=C(/NC[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
CC/[NH+]=C(/NCC1(C)CCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 CC1(CCCC1)C[*:1] CC/[NH+]=C(/N[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
CC/[NH+]=C(/NCC1(C)CCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] CC/[NH+]=C(/NCC1(C)CCCC1)N1CCN(CC1)C(=O)[*:1]
CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3COCCO3)C(=O)c3ccco3)cc2c1 c1coc(c1)[*:1] CCOc1ccc2[nH]c(=O)c(cc2c1)CN(C[C@H]1COCCO1)C(=O)[*:1]
CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3COCCO3)C(=O)c3ccco3)cc2c1 CCO[*:1] O=C(c1ccco1)N(Cc1cc2cc(ccc2[nH]c1=O)[*:1])C[C@H]1COCCO1
N#Cc1c(-c2cnc(NC[C@@H]3CCCO3)nc2)cc(-c2ccccc2)nc1N c1ccc(cc1)[*:1] N#Cc1c(cc(nc1N)[*:1])-c1cnc(nc1)NC[C@@H]1CCCO1
O=C(CNC(=O)c1ccnc(OC2CCCCC2)c1)Nc1ccccc1 C1CCC(CC1)O[*:1] O=C(CNC(=O)c1ccnc(c1)[*:1])Nc1ccccc1
O=C(CNC(=O)c1ccnc(OC2CCCCC2)c1)Nc1ccccc1 C1CCC(CC1)[*:1] O=C(CNC(=O)c1ccnc(c1)O[*:1])Nc1ccccc1
O=C(CNC(=O)c1ccnc(OC2CCCCC2)c1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccnc(c1)OC1CCCCC1)N[*:1]
CCOCc1cccc(NC(=O)c2cccc(C(=O)OC)c2)c1 CCOC[*:1] COC(=O)c1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
CCOCc1cccc(NC(=O)c2cccc(C(=O)OC)c2)c1 COC(=O)[*:1] CCOCc1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CCOCc1cccc(NC(=O)c2cccc(C(=O)OC)c2)c1 CCO[*:1] COC(=O)c1cccc(c1)C(=O)Nc1cccc(c1)C[*:1]
CC(C)(C)c1ncc(CN[C@@H]2CCCN(c3ccccc3F)C2=O)s1 Fc1ccccc1[*:1] CC(C)(C)c1ncc(CN[C@@H]2CCCN(C2=O)[*:1])s1
CC(C)(C)c1ncc(CN[C@@H]2CCCN(c3ccccc3F)C2=O)s1 CC(C)(C)[*:1] O=C1[C@@H](CCCN1c1ccccc1F)NCc1cnc(s1)[*:1]
O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1
O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)[*:1]
O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 c1ccc(cc1)CC[*:1] O=C(N[*:1])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1
O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1
O[C@]1([C@@H]2CCc3ccc[nH+]c32)CCC[C@H](C2CC2)C1 C1CC1[*:1] O[C@@]1(CCC[C@H](C1)[*:1])[C@@H]1CCc2ccc[nH+]c21
O=C(Cn1ccc2ccc(Cl)cc21)NCCCCn1cnnc1 c1nncn1[*:1] O=C(Cn1ccc2ccc(Cl)cc21)NCCCC[*:1]
O=C(Cn1ccc2ccc(Cl)cc21)NCCCCn1cnnc1 c1nncn1CC[*:1] O=C(Cn1ccc2ccc(Cl)cc21)NCC[*:1]
O=C(Cn1ccc2ccc(Cl)cc21)NCCCCn1cnnc1 c1nncn1C[*:1] O=C(Cn1ccc2ccc(Cl)cc21)NCCC[*:1]
O=C1C[C@H](C(=O)Nc2ccc(F)cc2F)[C@@H]2C(=O)N=C(SCc3ccccc3F)N=C2N1 Fc1ccccc1[*:1] O=C1C[C@H](C(=O)Nc2ccc(F)cc2F)[C@@H]2C(=O)N=C(N=C2N1)SC[*:1]
O=C1C[C@H](C(=O)Nc2ccc(F)cc2F)[C@@H]2C(=O)N=C(SCc3ccccc3F)N=C2N1 Fc1ccccc1C[*:1] O=C1C[C@H](C(=O)Nc2ccc(F)cc2F)[C@@H]2C(=O)N=C(N=C2N1)S[*:1]
O=C1C[C@H](C(=O)Nc2ccc(F)cc2F)[C@@H]2C(=O)N=C(SCc3ccccc3F)N=C2N1 Fc1ccc(c(F)c1)[*:1] O=C1C[C@H](C(=O)N[*:1])[C@@H]2C(=O)N=C(N=C2N1)SCc1ccccc1F
Cc1ccc([C@@H](NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@@H](NC(=O)Cn1nc(C)c(c1C)[*:1])c1ccccc1
Cc1ccc([C@@H](NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)Cn1nc(C)c(c1C)[N+](=O)[O-])[*:1]
Cc1ccc([C@@H](NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(CC(=O)N[C@@H](c2ccccc2)[*:1])c(C)c1[N+](=O)[O-]
CSc1ccccc1C(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 CSc1ccccc1[*:1] O=C(NNC(=O)[*:1])c1nn(-c2ccccc2)c(=O)c2ccccc12
CSc1ccccc1C(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] CSc1ccccc1C(=O)NNC(=O)c1nn(c(=O)c2ccccc12)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1c[nH]c2nccc(Cl)c12 Cn1cc(cn1)C[*:1] CN(C(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1c[nH]c2nccc(Cl)c12 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)c1c[nH]c2nccc(Cl)c12
Cc1ncccc1NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 Cc1ncccc1[*:1] O=C(N[*:1])[C@@H]1CC(=NO1)c1c(F)cccc1F
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 CNC(=O)[*:1] C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CC(=O)N(CC[*:1])C1
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 CNC(=O)[C@H](C)[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1
CC(C)CNC(=O)N1CCC[C@@H](C(=O)NC[C@H](C(C)C)N2CCOCC2)C1 C1CN(CCO1)[*:1] CC(C)CNC(=O)N1CCC[C@H](C1)C(=O)NC[C@H](C(C)C)[*:1]
CC(C)CNC(=O)N1CCC[C@@H](C(=O)NC[C@H](C(C)C)N2CCOCC2)C1 CC(C)[*:1] CC(C)CNC(=O)N1CCC[C@H](C1)C(=O)NC[C@H](N1CCOCC1)[*:1]
CC(C)CNC(=O)N1CCC[C@@H](C(=O)NC[C@H](C(C)C)N2CCOCC2)C1 CC(C)[*:1] CC(C)[C@@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)NC[*:1])N1CCOCC1
CC(C)CNC(=O)N1CCC[C@@H](C(=O)NC[C@H](C(C)C)N2CCOCC2)C1 CC(C)C[*:1] CC(C)[C@@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1])N1CCOCC1
CC(C)(C)Oc1ccc(Cl)cc1Br CC(C)(C)[*:1] Clc1ccc(O[*:1])c(Br)c1
CC(C)/C(=C\c1ccc([C@@H]2C[C@@H]2C)o1)C[NH2+]C1CC1 C1CC1[*:1] CC(C)/C(=C\c1ccc(o1)[C@@H]1C[C@@H]1C)C[NH2+][*:1]
CC(C)/C(=C\c1ccc([C@@H]2C[C@@H]2C)o1)C[NH2+]C1CC1 C[C@H]1C[C@H]1[*:1] CC(C)/C(=C\c1ccc(o1)[*:1])C[NH2+]C1CC1
CC(C)/C(=C\c1ccc([C@@H]2C[C@@H]2C)o1)C[NH2+]C1CC1 CC(C)[*:1] C[C@H]1C[C@H]1c1ccc(/C=C(/C[NH2+]C2CC2)[*:1])o1
CC(C)([C@@H](N)c1ccc(Br)c2ccccc12)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)([C@@H](N)c1ccc(Br)c2ccccc12)[*:1]
CCCc1cc(C(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)[nH]n1 CCC[*:1] CC(C)[C@@H]1CN(CCC(=O)N1CC1CC1)C(=O)c1cc(n[nH]1)[*:1]
CCCc1cc(C(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)[nH]n1 CC(C)[*:1] CCCc1cc([nH]n1)C(=O)N1CCC(=O)N(CC2CC2)[C@H](C1)[*:1]
CCCc1cc(C(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)[nH]n1 C1CC1[*:1] CCCc1cc([nH]n1)C(=O)N1CCC(=O)N(C[*:1])[C@@H](C1)C(C)C
CCCc1cc(C(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)[nH]n1 C1CC1C[*:1] CCCc1cc([nH]n1)C(=O)N1CCC(=O)N([C@@H](C1)C(C)C)[*:1]
CCCc1cc(C(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)[nH]n1 CCCc1cc([nH]n1)[*:1] CC(C)[C@@H]1CN(CCC(=O)N1CC1CC1)C(=O)[*:1]
CCOCC[C@H]1CCC[C@]1(C#N)NC CCO[*:1] CN[C@@]1(C#N)CCC[C@@H]1CC[*:1]
CCOCC[C@H]1CCC[C@]1(C#N)NC CCOC[*:1] CN[C@@]1(C#N)CCC[C@@H]1C[*:1]
COc1ccccc1[C@H](CNc1ncccc1[N+](=O)[O-])[NH+](C)C O=[N+]([O-])[*:1] COc1ccccc1[C@H](CNc1ncccc1[*:1])[NH+](C)C
COC(C)(C)c1noc(-c2cc(Br)ccc2C)n1 COC(C)(C)[*:1] Cc1ccc(Br)cc1-c1nc(no1)[*:1]
C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1cnc2ccc(C#N)cn12 c1ccc(cc1)[*:1] C[C@H]1CO[C@@H]([C@H](C)N1Cc1cnc2ccc(C#N)cn12)[*:1]
C[C@H](CC1CC1)[NH2+]C[C@@](C)(O)C[NH+](C)C C1CC1C[*:1] C[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)[*:1]
C[C@H](CC1CC1)[NH2+]C[C@@](C)(O)C[NH+](C)C C1CC1[*:1] C[C@H](C[*:1])[NH2+]C[C@@](C)(O)C[NH+](C)C
CN1CCN(CCCCCS)C(=O)C1=O SCC[*:1] CN1CCN(CCC[*:1])C(=O)C1=O
CN1CCN(CCCCCS)C(=O)C1=O SCCCC[*:1] CN1CCN(C[*:1])C(=O)C1=O
CN1CCN(CCCCCS)C(=O)C1=O SCCC[*:1] CN1CCN(CC[*:1])C(=O)C1=O
CC[C@H](C)SCC(=O)Nc1ccc(N)cc1Br CC[C@H](C)S[*:1] Nc1ccc(NC(=O)C[*:1])c(Br)c1
CC[C@H](C)SCC(=O)Nc1ccc(N)cc1Br CC[C@H](C)[*:1] Nc1ccc(NC(=O)CS[*:1])c(Br)c1
C[NH+](C)[C@H](CNC(=O)c1cccs1)c1cccc2ccccc12 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])c1cccc2ccccc12
Cc1cc(C)c(NC(=O)C(=O)N(C)CCOCC2CC2)c(C)c1 C1CC1CO[*:1] Cc1cc(C)c(NC(=O)C(=O)N(C)CC[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C(=O)N(C)CCOCC2CC2)c(C)c1 C1CC1C[*:1] Cc1cc(C)c(NC(=O)C(=O)N(C)CCO[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C(=O)N(C)CCOCC2CC2)c(C)c1 C(C[*:1])OCC1CC1 Cc1cc(C)c(NC(=O)C(=O)N(C)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C(=O)N(C)CCOCC2CC2)c(C)c1 C1CC1[*:1] Cc1cc(C)c(NC(=O)C(=O)N(C)CCOC[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C(=O)N(C)CCOCC2CC2)c(C)c1 C1CC1COC[*:1] Cc1cc(C)c(NC(=O)C(=O)N(C)C[*:1])c(C)c1
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])[C@H]1[C@H]2CC[C@H](C2)[C@H]1[*:1]
COC(=O)c1cccc(S(=O)(=O)/N=C(\[O-])C2=Cc3ccccc3OC2)c1 COC(=O)[*:1] O=S(=O)(/N=C(\[O-])C1=Cc2ccccc2OC1)c1cccc(c1)[*:1]
COCCNc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1[N+](=O)[O-] COC[*:1] O=C(c1ccc(NC[*:1])c(c1)[N+](=O)[O-])N1Cc2cc3OCCOc3cc2C2(CCCC2)C1
COCCNc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COCCNc1ccc(cc1[*:1])C(=O)N1Cc2cc3OCCOc3cc2C2(CCCC2)C1
COCCNc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1[N+](=O)[O-] COCC[*:1] O=C(c1ccc(N[*:1])c(c1)[N+](=O)[O-])N1Cc2cc3OCCOc3cc2C2(CCCC2)C1
COCCNc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1[N+](=O)[O-] COCCN[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])[*:1])N1Cc2cc3OCCOc3cc2C2(CCCC2)C1
CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 CC(C)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1
CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 CC(C)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1
CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 CC(C)CNC(=O)[*:1] O=C(c1ccc(F)cc1)N1CCC[C@H](C1)[*:1]
CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC(C)CNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cccc(NC(=O)Cn2nc3n(CCC(=O)NC4CCCC4)c(=O)c4ccccc4n3c2=O)c1 Cc1cccc(c1)NC(=O)[*:1] O=C(CCn1c(=O)c2ccccc2n2c(=O)n(C[*:1])nc12)NC1CCCC1
Cc1cccc(NC(=O)Cn2nc3n(CCC(=O)NC4CCCC4)c(=O)c4ccccc4n3c2=O)c1 O=C(CC[*:1])NC1CCCC1 Cc1cccc(c1)NC(=O)Cn1nc2n(c(=O)c3ccccc3n2c1=O)[*:1]
Cc1cccc(NC(=O)Cn2nc3n(CCC(=O)NC4CCCC4)c(=O)c4ccccc4n3c2=O)c1 C1CCC(C1)[*:1] Cc1cccc(c1)NC(=O)Cn1nc2n(CCC(=O)N[*:1])c(=O)c3ccccc3n2c1=O
Cc1cccc(NC(=O)Cn2nc3n(CCC(=O)NC4CCCC4)c(=O)c4ccccc4n3c2=O)c1 Cc1cccc(c1)NC(=O)C[*:1] O=C(CCn1c(=O)c2ccccc2n2c(=O)n(nc12)[*:1])NC1CCCC1
Cc1cccc(NC(=O)Cn2nc3n(CCC(=O)NC4CCCC4)c(=O)c4ccccc4n3c2=O)c1 O=C(NC1CCCC1)[*:1] Cc1cccc(c1)NC(=O)Cn1nc2n(CC[*:1])c(=O)c3ccccc3n2c1=O
Cc1cccc(NC(=O)Cn2nc3n(CCC(=O)NC4CCCC4)c(=O)c4ccccc4n3c2=O)c1 Cc1cccc(c1)[*:1] O=C(CCn1c(=O)c2ccccc2n2c(=O)n(CC(=O)N[*:1])nc12)NC1CCCC1
Cc1cccc(NC(=O)Cn2nc3n(CCC(=O)NC4CCCC4)c(=O)c4ccccc4n3c2=O)c1 O=C(C[*:1])NC1CCCC1 Cc1cccc(c1)NC(=O)Cn1nc2n(C[*:1])c(=O)c3ccccc3n2c1=O
Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])[NH+]2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@@H](C(=O)[O-])[NH+]1CCOCC1)N[*:1]
Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])[NH+]2CCOCC2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)NC(=O)C[C@@H]([NH+]1CCOCC1)[*:1]
O=C(OCc1nncn1C1CC1)c1nc(C2CC2)n2ccccc12 c1nnc(n1C1CC1)[*:1] O=C(OC[*:1])c1nc(C2CC2)n2ccccc12
O=C(OCc1nncn1C1CC1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(OCc1nncn1C1CC1)c1nc(n2ccccc12)[*:1]
O=C(OCc1nncn1C1CC1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(OCc1nncn1[*:1])c1nc(C2CC2)n2ccccc12
CCc1cnc(CN(C)C(=O)c2ccc3c(c2)CCCC3)s1 CCc1cnc(s1)[*:1] CN(C[*:1])C(=O)c1ccc2CCCCc2c1
Cc1noc(-c2nn(C)c(C)c2[N+](=O)[O-])c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1noc(-c2nn(C)c(C)c2[N+](=O)[O-])c1[*:1]
Cc1noc(-c2nn(C)c(C)c2[N+](=O)[O-])c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1noc(-c2nn(C)c(C)c2[*:1])c1[N+](=O)[O-]
COCCC(=O)Nc1ccc(COc2ccccc2)cc1 COCC[*:1] O=C(Nc1ccc(cc1)COc1ccccc1)[*:1]
COCCC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)O[*:1] COCCC(=O)Nc1ccc(cc1)C[*:1]
COCCC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)[*:1] COCCC(=O)Nc1ccc(cc1)CO[*:1]
COCCC(=O)Nc1ccc(COc2ccccc2)cc1 COCCC(=O)N[*:1] c1ccc(cc1)OCc1ccc(cc1)[*:1]
COCCC(=O)Nc1ccc(COc2ccccc2)cc1 COC[*:1] O=C(C[*:1])Nc1ccc(cc1)COc1ccccc1
CC[NH+]1CCCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCCN(CC1)C(=O)c1nc(-c2ccccc2)n(n1)[*:1]
CC[NH+]1CCCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCCN(CC1)C(=O)c1nc(n(n1)-c1ccccc1)[*:1]
COCc1nn2c(-c3ccccn3)ccnc2c1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COCc1nn2c(ccnc2c1[*:1])-c1ccccn1
COCc1nn2c(-c3ccccn3)ccnc2c1-c1ccc(Br)cc1 COC[*:1] Brc1ccc(cc1)-c1c(nn2c(ccnc12)-c1ccccn1)[*:1]
COCc1nn2c(-c3ccccn3)ccnc2c1-c1ccc(Br)cc1 c1ccc(nc1)[*:1] COCc1nn2c(ccnc2c1-c1ccc(Br)cc1)[*:1]
CO[C@H](C)c1nc(C[S@](=O)Cc2c(Cl)cccc2Cl)cs1 CO[C@H](C)[*:1] O=[S@@](Cc1csc(n1)[*:1])Cc1c(Cl)cccc1Cl
CCC[C@@H]([NH2+]C)c1ccn(CC(=O)NC2CCCC2)c1 CCC[*:1] C[NH2+][C@@H](c1ccn(c1)CC(=O)NC1CCCC1)[*:1]
CCC[C@@H]([NH2+]C)c1ccn(CC(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] CCC[C@@H]([NH2+]C)c1ccn(c1)CC(=O)N[*:1]
CC(C)[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)NC(N)=O CC(C)[*:1] N#Cc1cc2CCCCc2nc1S[C@@H](C(=O)NC(N)=O)[*:1]
CC(C)[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] CC(C)[C@@H](Sc1nc2CCCCc2cc1C#N)[*:1]
Cc1cccc(C2=CCN(C(=O)NCCCn3cccn3)CC2)c1 c1cnn(c1)C[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NCC[*:1]
Cc1cccc(C2=CCN(C(=O)NCCCn3cccn3)CC2)c1 c1cnn(c1)CC[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NC[*:1]
Cc1cccc(C2=CCN(C(=O)NCCCn3cccn3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCCCn1cccn1)N1CC=C(CC1)[*:1]
Cc1cccc(C2=CCN(C(=O)NCCCn3cccn3)CC2)c1 c1cnn(c1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NCCC[*:1]
Cc1cccc(C2=CCN(C(=O)NCCCn3cccn3)CC2)c1 c1cnn(c1)CCC[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)N[*:1]
N#Cc1ncn(CC(=O)NCc2ccco2)n1 c1coc(c1)[*:1] N#Cc1ncn(CC(=O)NC[*:1])n1
CCOC(=O)[C@H](CC)N1C[C@H](C)S[C@H](C)C1 CCOC(=O)[*:1] CC[C@H](N1C[C@H](C)S[C@H](C)C1)[*:1]
Cc1ccc(CN(C(=O)CS(=O)(=O)c2ccc(O)cc2)C2CC2)o1 Cc1ccc(C[*:1])o1 O=C(CS(=O)(=O)c1ccc(O)cc1)N(C1CC1)[*:1]
Cc1ccc(CN(C(=O)CS(=O)(=O)c2ccc(O)cc2)C2CC2)o1 Cc1ccc(o1)[*:1] O=C(CS(=O)(=O)c1ccc(O)cc1)N(C[*:1])C1CC1
Cc1ccc(CN(C(=O)CS(=O)(=O)c2ccc(O)cc2)C2CC2)o1 Oc1ccc(cc1)[*:1] Cc1ccc(CN(C(=O)CS(=O)(=O)[*:1])C2CC2)o1
Cc1ccc(CN(C(=O)CS(=O)(=O)c2ccc(O)cc2)C2CC2)o1 C1CC1[*:1] Cc1ccc(CN(C(=O)CS(=O)(=O)c2ccc(O)cc2)[*:1])o1
CCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2Cl)C1 CCC[*:1] Clc1ccccc1O[C@@H]1CCC[C@@H](C1)[NH2+][*:1]
CC(C)[NH+]1CCC(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 CC(C)[*:1] O=C(CC1CC[NH+](CC1)[*:1])NCc1cccc(c1)C[NH+]1CCCC1
CC(C)c1ccc(C[NH+](C)C2CCC(=O)CC2)cc1 CC(C)[*:1] C[NH+](Cc1ccc(cc1)[*:1])C1CCC(=O)CC1
CC(C)[C@H](O)CCC[C@H]1CCCN(S(C)(=O)=O)C1 CC(C)[C@H](O)[*:1] CS(=O)(=O)N1CCC[C@H](CCC[*:1])C1
CC(C)[C@H](O)CCC[C@H]1CCCN(S(C)(=O)=O)C1 CC(C)[C@H](O)C[*:1] CS(=O)(=O)N1CCC[C@H](CC[*:1])C1
CC(C)[C@H](O)CCC[C@H]1CCCN(S(C)(=O)=O)C1 CC(C)[*:1] CS(=O)(=O)N1CCC[C@H](CCC[C@@H](O)[*:1])C1
Cc1cccc(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)N1CCN(CC1)c1nc(C)cc(n1)N[*:1]
Cc1cccc(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)c1 c1ccc(cc1)N[*:1] Cc1cccc(c1)S(=O)(=O)N1CCN(CC1)c1nc(C)cc(n1)[*:1]
Cc1cccc(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)c1 Cc1cccc(c1)[*:1] Cc1cc(nc(n1)N1CCN(CC1)S(=O)(=O)[*:1])Nc1ccccc1
Cn1cc(C[NH2+]CCc2ccccn2)c(-c2cccs2)n1 c1ccc(nc1)[*:1] Cn1cc(C[NH2+]CC[*:1])c(n1)-c1cccs1
Cn1cc(C[NH2+]CCc2ccccn2)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(C[NH2+]CCc2ccccn2)c(n1)[*:1]
Cn1cc(C[NH2+]CCc2ccccn2)c(-c2cccs2)n1 c1ccc(C[*:1])nc1 Cn1cc(C[NH2+]C[*:1])c(n1)-c1cccs1
CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H]2CCCn3c(C)nnc32)n1 CCc1ccccc1[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)c1nn(cc1[O-])[*:1]
CC(=O)N1CCc2cccc(NC(=O)[C@H]3C[C@H]3c3ccccc3Br)c21 Brc1ccccc1[*:1] CC(=O)N1CCc2cccc(NC(=O)[C@H]3C[C@@H]3[*:1])c21
COCCOCO[C@H]1CC[C@@]2(C)C(=O)[C@@H]3O[C@@H]3C[C@@H]2C1(C)C COCCOCO[*:1] CC1(C)[C@H](CC[C@@]2(C)C(=O)[C@@H]3O[C@@H]3C[C@H]12)[*:1]
COCCOCO[C@H]1CC[C@@]2(C)C(=O)[C@@H]3O[C@@H]3C[C@@H]2C1(C)C COC[*:1] CC1(C)[C@H](CC[C@@]2(C)C(=O)[C@@H]3O[C@@H]3C[C@H]12)OCOC[*:1]
COCCOCO[C@H]1CC[C@@]2(C)C(=O)[C@@H]3O[C@@H]3C[C@@H]2C1(C)C COCCO[*:1] CC1(C)[C@H](CC[C@@]2(C)C(=O)[C@@H]3O[C@@H]3C[C@H]12)OC[*:1]
COCCOCO[C@H]1CC[C@@]2(C)C(=O)[C@@H]3O[C@@H]3C[C@@H]2C1(C)C COCCOC[*:1] CC1(C)[C@H](CC[C@@]2(C)C(=O)[C@@H]3O[C@@H]3C[C@H]12)O[*:1]
COCCOCO[C@H]1CC[C@@]2(C)C(=O)[C@@H]3O[C@@H]3C[C@@H]2C1(C)C COCC[*:1] CC1(C)[C@H](CC[C@@]2(C)C(=O)[C@@H]3O[C@@H]3C[C@H]12)OCO[*:1]
COCCOc1ccccc1NS(=O)(=O)c1cccc2ccccc12 COCC[*:1] O=S(=O)(Nc1ccccc1O[*:1])c1cccc2ccccc12
COCCOc1ccccc1NS(=O)(=O)c1cccc2ccccc12 COC[*:1] O=S(=O)(Nc1ccccc1OC[*:1])c1cccc2ccccc12
COCCOc1ccccc1NS(=O)(=O)c1cccc2ccccc12 COCCO[*:1] O=S(=O)(Nc1ccccc1[*:1])c1cccc2ccccc12
Cn1cc(/C=C/C(=O)OCCOc2cccc(Cl)c2)c(=O)n(C)c1=O Clc1cccc(c1)O[*:1] Cn1cc(/C=C/C(=O)OCC[*:1])c(=O)n(C)c1=O
Cn1cc(/C=C/C(=O)OCCOc2cccc(Cl)c2)c(=O)n(C)c1=O Clc1cccc(c1)[*:1] Cn1cc(/C=C/C(=O)OCCO[*:1])c(=O)n(C)c1=O
Cc1ccc(N2C(SCc3ccccc3F)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 Fc1ccccc1C[*:1] Cc1ccc(c(C)c1)N1C(=N[C@H]2CS(=O)(=O)C[C@@H]21)S[*:1]
Cc1ccc(N2C(SCc3ccccc3F)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 Fc1ccccc1[*:1] Cc1ccc(c(C)c1)N1C(=N[C@H]2CS(=O)(=O)C[C@@H]21)SC[*:1]
Cc1ccc(N2C(SCc3ccccc3F)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=S1(=O)C[C@@H]2N=C(SCc3ccccc3F)N([C@H]2C1)[*:1]
Cn1cc(CCN2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 FC(F)(F)[*:1] Cn1cc(cn1)CCN1CCCC[C@@H]1c1ccc(cc1)[*:1]
Cn1cc(CCN2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 Cn1cc(cn1)C[*:1] FC(F)(F)c1ccc(cc1)[C@H]1CCCCN1C[*:1]
Cn1cc(CCN2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 Cn1cc(cn1)CC[*:1] FC(F)(F)c1ccc(cc1)[C@H]1CCCCN1[*:1]
Cn1cc(CCN2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 Cn1cc(cn1)[*:1] FC(F)(F)c1ccc(cc1)[C@H]1CCCCN1CC[*:1]
CC[C@@H](CC(=O)OCc1nccn1C)c1ccc(C)cc1 Cn1ccnc1C[*:1] CC[C@@H](CC(=O)O[*:1])c1ccc(C)cc1
CC[C@@H](CC(=O)OCc1nccn1C)c1ccc(C)cc1 Cn1ccnc1[*:1] CC[C@@H](CC(=O)OC[*:1])c1ccc(C)cc1
CC[C@@H](CC(=O)OCc1nccn1C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](CC(=O)OCc1nccn1C)[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cccc2[nH]ccc12 C1CC1[*:1] Cc1ccc(cc1NC(=O)c1cccc2[nH]ccc12)C(=O)N[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cccc2[nH]ccc12 O=C(NC1CC1)[*:1] Cc1ccc(cc1NC(=O)c1cccc2[nH]ccc12)[*:1]
C[NH+]1CCC(NC(=O)c2nc(C3CCCC3)nc3c2OCCO3)CC1 C1CCC(C1)[*:1] C[NH+]1CCC(CC1)NC(=O)c1nc(nc2OCCOc21)[*:1]
O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(COC(=O)[*:1])N(C1CCCCC1)C1CCCCC1
O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccc(Cl)nc1 C1CCC(CC1)[*:1] O=C(OCC(=O)N(C1CCCCC1)[*:1])c1ccc(Cl)nc1
CCCOC(=O)c1ccc2ccccc2c1 CCC[*:1] O=C(O[*:1])c1ccc2ccccc2c1
COC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 COC(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)[C@H]2CCCN2C(=O)c2cccs2)c2ccccc2)c1 c1csc(c1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H](OC(=O)[C@H]1CCCN1C(=O)[*:1])c1ccccc1
Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)[C@H]2CCCN2C(=O)c2cccs2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1cccs1)[*:1]
Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)[C@H]2CCCN2C(=O)c2cccs2)c2ccccc2)c1 Cc1cc(C)cc(c1)NC(=O)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])[C@H]1CCCN1C(=O)c1cccs1
Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)[C@H]2CCCN2C(=O)c2cccs2)c2ccccc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccccc1
O[C@H](CCCCl)[C@H]1CCOC2(CCOCC2)C1 ClCCC[*:1] O[C@H]([C@H]1CCOC2(CCOCC2)C1)[*:1]
O[C@H](CCCCl)[C@H]1CCOC2(CCOCC2)C1 ClCC[*:1] O[C@H](C[*:1])[C@H]1CCOC2(CCOCC2)C1
C[C@@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)C[NH+]1CCCCC1 FC(F)(F)[*:1] C[C@@H](CNC(=O)N1CC[C@@](O)(C1)[*:1])C[NH+]1CCCCC1
COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)/C=C/c2cccc(F)c2)C3)n1 Fc1cccc(c1)[*:1] COc1cccc(n1)-c1cc2CN(CCOc2c(c1)OC)C(=O)C=C[*:1]
COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)/C=C/c2cccc(F)c2)C3)n1 COc1cccc(n1)[*:1] COc1cc(cc2CN(CCOc21)C(=O)/C=C/c1cccc(F)c1)[*:1]
COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)/C=C/c2cccc(F)c2)C3)n1 Fc1cccc(C=C[*:1])c1 COc1cccc(n1)-c1cc2CN(CCOc2c(c1)OC)C(=O)[*:1]
O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc2c(cc1F)CCC(=O)N2 O=[N+]([O-])[*:1] O=C(Cc1ccccc1[*:1])Nc1cc2NC(=O)CCc2cc1F
Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)nn3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[N-]c1ccc(Cl)nn1)N[*:1]
CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1 FC(F)(F)[*:1] CC(C)Oc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1 CC(C)O[*:1] O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1 CC(C)[*:1] O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(C1)c1ccc(cc1)O[*:1]
CCc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3ccc(C)nc32)c1 CCc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)c1cn(CC(=O)N[*:1])c2nc(C)ccc2c1=O
CCc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3ccc(C)nc32)c1 COc1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)Cn1cc(C(=O)[*:1])c(=O)c2ccc(C)nc21
CCc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3ccc(C)nc32)c1 CCc1cccc(c1)NC(=O)[*:1] COc1ccc(cc1)C(=O)c1cn(C[*:1])c2nc(C)ccc2c1=O
CCc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3ccc(C)nc32)c1 COc1ccc(cc1)C(=O)[*:1] CCc1cccc(c1)NC(=O)Cn1cc(c(=O)c2ccc(C)nc21)[*:1]
O=C(Nc1ccccc1N1CCCC1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] O=C(Nc1ccccc1N1CCCC1)c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccccc1N1CCCC1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C(Nc1ccccc1N1CCCC1)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1N1CCCC1)c1ccc(NC(=O)C2CC2)cc1 C1CCN(C1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)NC(=O)C1CC1
C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C1CCSCC1 C1CC(CCS1)[*:1] C[C@H]1[C@H](OCCN1[*:1])c1ccc(Br)cc1
Cc1cccc(CNC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)c1 Cc1cccc(c1)[*:1] O=C(C[NH+]1CCC2(CC1)NC(=NO2)c1ccc(cc1)OC(F)(F)F)NC[*:1]
Cc1cccc(CNC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)c1 Cc1cccc(c1)CNC(=O)[*:1] FC(F)(F)Oc1ccc(cc1)C1=NOC2(CC[NH+](CC2)C[*:1])N1
Cc1cccc(CNC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)c1 Cc1cccc(c1)C[*:1] O=C(C[NH+]1CCC2(CC1)NC(=NO2)c1ccc(cc1)OC(F)(F)F)N[*:1]
Cc1cccc(CNC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)c1 FC(F)(F)Oc1ccc(cc1)[*:1] Cc1cccc(c1)CNC(=O)C[NH+]1CCC2(CC1)NC(=NO2)[*:1]
Cc1cccc(CNC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)c1 FC(F)(F)[*:1] Cc1cccc(c1)CNC(=O)C[NH+]1CCC2(CC1)NC(=NO2)c1ccc(cc1)O[*:1]
Cc1cccc(CNC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)c1 FC(F)(F)O[*:1] Cc1cccc(c1)CNC(=O)C[NH+]1CCC2(CC1)NC(=NO2)c1ccc(cc1)[*:1]
O=C(CCS(=O)(=O)c1cccc(F)c1)NC1CC1 O=C(NC1CC1)[*:1] O=S(=O)(CC[*:1])c1cccc(F)c1
O=C(CCS(=O)(=O)c1cccc(F)c1)NC1CC1 C1CC1[*:1] O=C(CCS(=O)(=O)c1cccc(F)c1)N[*:1]
CC[C@@H]1CN(C(=O)NCCCCn2cnnc2)CC[C@@H]1c1ccccc1 c1nncn1CCC[*:1] CC[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)NC[*:1]
CC[C@@H]1CN(C(=O)NCCCCn2cnnc2)CC[C@@H]1c1ccccc1 c1nncn1CC[*:1] CC[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)NCC[*:1]
CC[C@@H]1CN(C(=O)NCCCCn2cnnc2)CC[C@@H]1c1ccccc1 c1nncn1C[*:1] CC[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)NCCC[*:1]
CC[C@@H]1CN(C(=O)NCCCCn2cnnc2)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@H]1[*:1])C(=O)NCCCCn1cnnc1
CC[C@@H]1CN(C(=O)NCCCCn2cnnc2)CC[C@@H]1c1ccccc1 c1nncn1[*:1] CC[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)NCCCC[*:1]
C[C@@H](C(=O)N1CCCc2cc(S(C)(=O)=O)ccc21)c1ccsc1 CS(=O)(=O)[*:1] C[C@@H](C(=O)N1CCCc2cc(ccc21)[*:1])c1ccsc1
C[C@@H](C(=O)N1CCCc2cc(S(C)(=O)=O)ccc21)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)N1CCCc2cc(ccc21)S(C)(=O)=O)[*:1]
Cc1cccc([C@@H](C)[S@](=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 Cc1cccc(c1)[*:1] C[C@@H]([S@](=O)Cc1cc(Cl)c2OCCOc2c1)[*:1]
CCc1c(C(=O)NCC2(CC)CCC2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)NCC1(CC)CCC1
CCc1c(C(=O)NCC2(CC)CCC2)[nH]c(C)c1C(C)=O CCC1(CCC1)[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)NC[*:1]
CCc1c(C(=O)NCC2(CC)CCC2)[nH]c(C)c1C(C)=O CCC1(CCC1)C[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)N[*:1]
COc1ccc([C@@H]2CC(O)=Nc3n[nH]cc32)cc1OC(C)C CC(C)[*:1] COc1ccc(cc1O[*:1])[C@@H]1CC(O)=Nc2n[nH]cc21
COc1ccc([C@@H]2CC(O)=Nc3n[nH]cc32)cc1OC(C)C CC(C)O[*:1] COc1ccc(cc1[*:1])[C@@H]1CC(O)=Nc2n[nH]cc21
CC[C@@H](C(=O)Nc1cc(C)on1)n1cnc2c1c(=O)n(C)c(=O)n2C Cc1cc(no1)[*:1] CC[C@@H](C(=O)N[*:1])n1cnc2c1c(=O)n(C)c(=O)n2C
CCc1ccc([C@H](COC)NC(=O)C(=O)Nc2ccc3ncccc3c2)o1 CCc1ccc(o1)[*:1] COC[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)[*:1]
CCc1ccc([C@H](COC)NC(=O)C(=O)Nc2ccc3ncccc3c2)o1 COC[*:1] CCc1ccc(o1)[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2cc(C)n[nH]2)C1 COC(=O)[*:1] Cc1cc([nH]n1)C(=O)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2cc(C)n[nH]2)C1 Cc1cc([nH]n1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)[*:1]
COCCn1c(=O)c2c(nc3n2CCCN3c2ccccc2OC)n(C)c1=O COCC[*:1] COc1ccccc1N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
COCCn1c(=O)c2c(nc3n2CCCN3c2ccccc2OC)n(C)c1=O COC[*:1] COc1ccccc1N1CCCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
COCCn1c(=O)c2c(nc3n2CCCN3c2ccccc2OC)n(C)c1=O COc1ccccc1[*:1] COCCn1c(=O)c2c(nc3N(CCCn32)[*:1])n(C)c1=O
COc1ccccc1N1C(=O)CN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] COc1ccccc1N1C(=O)CN(C1=O)[*:1]
COc1ccccc1N1C(=O)CN(CC(F)(F)F)C1=O FC(F)(F)[*:1] COc1ccccc1N1C(=O)CN(C[*:1])C1=O
CCc1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2c3c(sc2n1)CCCC3 Fc1ccc(cc1)[*:1] CCc1nc(c2c3CCCCc3sc2n1)N1CCN(CC1)C(=O)[*:1]
NNC(=O)c1cnc2cc(C(F)(F)F)c(Cl)cc2c1N NNC(=O)[*:1] Nc1c(cnc2cc(c(Cl)cc12)C(F)(F)F)[*:1]
NNC(=O)c1cnc2cc(C(F)(F)F)c(Cl)cc2c1N FC(F)(F)[*:1] NNC(=O)c1cnc2cc(c(Cl)cc2c1N)[*:1]
CCOc1ncccc1C(=O)N1CCCC[C@H]1c1nccs1 CCO[*:1] O=C(c1cccnc1[*:1])N1CCCC[C@H]1c1nccs1
CCOc1ncccc1C(=O)N1CCCC[C@H]1c1nccs1 c1csc(n1)[*:1] CCOc1ncccc1C(=O)N1CCCC[C@@H]1[*:1]
c1ccc([C@H](Cn2cncn2)NCc2ccc(-n3ccnc3)cc2)cc1 c1cn(cn1)[*:1] c1ccc(cc1)[C@H](Cn1cncn1)NCc1ccc(cc1)[*:1]
c1ccc([C@H](Cn2cncn2)NCc2ccc(-n3ccnc3)cc2)cc1 c1ccc(cc1)[*:1] c1cn(cn1)-c1ccc(cc1)CN[C@@H](Cn1cncn1)[*:1]
c1ccc([C@H](Cn2cncn2)NCc2ccc(-n3ccnc3)cc2)cc1 c1ncn(n1)[*:1] c1ccc(cc1)[C@H](C[*:1])NCc1ccc(cc1)-n1ccnc1
c1ccc([C@H](Cn2cncn2)NCc2ccc(-n3ccnc3)cc2)cc1 c1ncn(C[*:1])n1 c1ccc(cc1)[C@H](NCc1ccc(cc1)-n1ccnc1)[*:1]
COc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)NCc1ccc(nc1)N1CC[NH+](C)CC1
COc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)NCc1ccc(nc1)N1CC[NH+](C)CC1
Cc1ccc(N(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)S(=O)(=O)N(C)C)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)N(CC(=O)N[C@@H](C)[*:1])S(=O)(=O)N(C)C
Cc1ccc(N(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)S(=O)(=O)N(C)C)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)CN(S(=O)(=O)N(C)C)[*:1])C(=O)N1CCCCC1
COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccc(Cl)c(Cl)c1 COC[*:1] O=c1c2c3nc4ccccc4nc3n(/N=C/c3ccc(Cl)c(Cl)c3)c2ncn1C[*:1]
COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2N=C[*:1]
COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccc(Cl)c(Cl)c1 COCC[*:1] O=c1c2c3nc4ccccc4nc3n(/N=C/c3ccc(Cl)c(Cl)c3)c2ncn1[*:1]
COc1cccc(C(=O)NCCC(=O)Nc2c[nH+]c3n2CCCC3)c1 COc1cccc(c1)[*:1] O=C(CCNC(=O)[*:1])Nc1c[nH+]c2CCCCn12
CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12 CCn1ncc(Br)c1[*:1] CC(=O)OCC1CS[C@@H]2[C@@H](NC(=O)[*:1])C(=O)N2C=1C(=O)[O-]
CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12 CC(=O)O[*:1] CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CS[C@H]12)C[*:1]
CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12 O=C([O-])[*:1] CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(=C(COC(C)=O)CS[C@H]12)[*:1]
CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12 CC(=O)OC[*:1] CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CS[C@H]12)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1I O=[N+]([O-])[*:1] Cc1ccc(cc1I)C(=O)NC(=S)Nc1cc(ccc1O)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1I Cc1ccc(cc1I)[*:1] O=C(NC(=S)Nc1cc(ccc1O)[N+](=O)[O-])[*:1]
COc1cc(NC(C)=O)ccc1NC(=O)C[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1cc(ccc1NC(=O)C[C@H](O)[*:1])NC(C)=O
COc1cc(NC(C)=O)ccc1NC(=O)C[C@H](O)c1cccc(F)c1 CC(=O)N[*:1] COc1cc(ccc1NC(=O)C[C@H](O)c1cccc(F)c1)[*:1]
Cc1ccc([C@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)[NH+](C)C)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)N1CC[NH+](CC1)[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)N2CC[NH+](C3CCCC3)CC2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](CC1)C1CCCC1)[*:1]
COc1ccc([N+](=O)[O-])cc1C(N)=[NH2+] O=[N+]([O-])[*:1] COc1ccc(cc1C(N)=[NH2+])[*:1]
COc1ccc([N+](=O)[O-])cc1C(N)=[NH2+] NC(=[NH2+])[*:1] COc1ccc(cc1[*:1])[N+](=O)[O-]
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1cc2ncccn2n1 C1CC1[*:1] O=C(Nc1ccc(cc1)-n1nc(cc1[*:1])C(F)(F)F)c1cc2ncccn2n1
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1cc2ncccn2n1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)-n1nc(cc1C1CC1)[*:1])c1cc2ncccn2n1
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1cc2ncccn2n1 c1cnc2cc(nn2c1)[*:1] O=C(Nc1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F)[*:1]
Cn1cc(C(=O)N2CCc3[nH]ncc3C2)c(-c2ccc(F)cc2F)n1 Fc1ccc(c(F)c1)[*:1] Cn1cc(C(=O)N2CCc3[nH]ncc3C2)c(n1)[*:1]
N#Cc1ccc(C(=O)Cl)cn1 O=C(Cl)[*:1] N#Cc1ccc(cn1)[*:1]
COc1ccc2c(COC(=O)COc3cccc(C)c3)cc(=O)oc2c1 Cc1cccc(c1)O[*:1] COc1ccc2c(cc(=O)oc2c1)COC(=O)C[*:1]
COc1ccc2c(COC(=O)COc3cccc(C)c3)cc(=O)oc2c1 Cc1cccc(c1)[*:1] COc1ccc2c(cc(=O)oc2c1)COC(=O)CO[*:1]
O=C(COc1cccc(F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 Fc1cccc(c1)[*:1] O=C(CO[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
O=C(Nc1ccccc1)C(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 c1ccc(cc1)[*:1] O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)C(=O)N[*:1]
COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)no1)C(C)C COC(=O)[*:1] CC(C)[C@@H](NC(=O)c1cc(no1)-c1ccccc1)[*:1]
COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)no1)C(C)C c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)c1cc(no1)[*:1])C(C)C
COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)no1)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)c1cc(no1)-c1ccccc1)[*:1]
O=C1O[C@H](CCN2CCOCC2)CN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1O[C@H](CCN2CCOCC2)CN1[*:1]
O=C1O[C@H](CCN2CCOCC2)CN1Cc1ccccc1 C1CN(CCO1)[*:1] O=C1O[C@H](CC[*:1])CN1Cc1ccccc1
O=C1O[C@H](CCN2CCOCC2)CN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1O[C@H](CCN2CCOCC2)CN1C[*:1]
O=C1O[C@H](CCN2CCOCC2)CN1Cc1ccccc1 C1CN(CCO1)C[*:1] O=C1O[C@@H](CN1Cc1ccccc1)C[*:1]
CNC(=O)CN1CCC([NH2+]Cc2csc(Br)c2)CC1 Brc1cc(cs1)[*:1] CNC(=O)CN1CCC(CC1)[NH2+]C[*:1]
CNC(=O)CN1CCC([NH2+]Cc2csc(Br)c2)CC1 CNC(=O)[*:1] Brc1cc(cs1)C[NH2+]C1CCN(CC1)C[*:1]
CNC(=O)CN1CCC([NH2+]Cc2csc(Br)c2)CC1 CNC(=O)C[*:1] Brc1cc(cs1)C[NH2+]C1CCN(CC1)[*:1]
Cc1ncn(C[C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c1C Cc1ncn(c1C)[*:1] C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[*:1]
Cc1ncn(C[C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c1C Oc1ccc(cc1)[*:1] Cc1ncn(C[C@H](C)[NH2+][C@@H](C)C[*:1])c1C
O=c1cc(-c2ccccc2)nc(-c2cncc(Br)c2)[nH]1 c1ccc(cc1)[*:1] O=c1cc(nc([nH]1)-c1cncc(Br)c1)[*:1]
Cc1c(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)oc2ccccc12 Cc1c(oc2ccccc12)[*:1] O=C(COC(=O)[*:1])NCC1(CCCCC1)N1CCOCC1
Cc1c(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)oc2ccccc12 C1CN(CCO1)[*:1] Cc1c(oc2ccccc12)C(=O)OCC(=O)NCC1(CCCCC1)[*:1]
Cc1ccc(-c2noc(C[NH+]3CCC4(CC3)OCCO4)n2)cc1F Cc1ccc(cc1F)[*:1] C1COC2(CC[NH+](CC2)Cc2nc(no2)[*:1])O1
Cn1c(=O)c2c(nc3n2CC(c2ccc(Cl)cc2)=NN3CC(=O)C(C)(C)C)n(C)c1=O CC(C)(C)[*:1] Cn1c(=O)c2c(nc3N(CC(=O)[*:1])N=C(Cn32)c2ccc(Cl)cc2)n(C)c1=O
Cn1c(=O)c2c(nc3n2CC(c2ccc(Cl)cc2)=NN3CC(=O)C(C)(C)C)n(C)c1=O CC(C)(C)C(=O)C[*:1] Cn1c(=O)c2c(nc3N(N=C(Cn32)c2ccc(Cl)cc2)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc3n2CC(c2ccc(Cl)cc2)=NN3CC(=O)C(C)(C)C)n(C)c1=O Clc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc3N(CC(=O)C(C)(C)C)N=C(Cn32)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc3n2CC(c2ccc(Cl)cc2)=NN3CC(=O)C(C)(C)C)n(C)c1=O CC(C)(C)C(=O)[*:1] Cn1c(=O)c2c(nc3N(C[*:1])N=C(Cn32)c2ccc(Cl)cc2)n(C)c1=O
COc1ccc(OCc2ccc(Br)s2)c(CO)c1 Brc1ccc(s1)[*:1] COc1ccc(OC[*:1])c(c1)CO
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 FC(F)(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)[C@H]1Cc2ccccc2C(=O)O1
CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 FC(F)(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)[C@H]1Cc2ccccc2C(=O)O1
O=C(CCOCc1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 c1ccc(cc1)C[*:1] O=C(CCO[*:1])Nc1nc(cs1)-c1ccc2OCCOc2c1
O=C(CCOCc1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 c1ccc(cc1)CO[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1ccc2OCCOc2c1
O=C(CCOCc1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 c1ccc(cc1)COC[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc2OCCOc2c1
O=C(CCOCc1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 c1ccc(cc1)[*:1] O=C(CCOC[*:1])Nc1nc(cs1)-c1ccc2OCCOc2c1
Cc1c(C(=O)N[C@@H](CO)c2ccco2)cnn1Cc1ccccc1 c1coc(c1)[*:1] Cc1c(cnn1Cc1ccccc1)C(=O)N[C@@H](CO)[*:1]
Cc1c(C(=O)N[C@@H](CO)c2ccco2)cnn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1C[*:1])C(=O)N[C@@H](CO)c1ccco1
Cc1c(C(=O)N[C@@H](CO)c2ccco2)cnn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H](CO)c1ccco1
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C2CCCC2)cc1 C1CCC(C1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C2CCCC2)cc1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC[C@@H]1C1CCCC1
CC1(C)[C@@H](C(=O)[O-])C[C@@H]1CC(=O)[O-] O=C([O-])[*:1] CC1(C)[C@H](C[C@@H]1C[*:1])C(=O)[O-]
CC1(C)[C@@H](C(=O)[O-])C[C@@H]1CC(=O)[O-] O=C([O-])[*:1] CC1(C)[C@@H](C[C@@H]1CC(=O)[O-])[*:1]
CC1(C)[C@@H](C(=O)[O-])C[C@@H]1CC(=O)[O-] O=C([O-])C[*:1] CC1(C)[C@H](C[C@H]1[*:1])C(=O)[O-]
Cc1cccc(OCCCC(=O)Nc2nc3c(C)cccc3s2)c1 Cc1cccc(c1)[*:1] Cc1cccc2sc(nc12)NC(=O)CCCO[*:1]
Cc1cccc(OCCCC(=O)Nc2nc3c(C)cccc3s2)c1 Cc1cccc(c1)O[*:1] Cc1cccc2sc(nc12)NC(=O)CCC[*:1]
C/[NH+]=C(\NCc1cc(Br)ccc1F)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C/[NH+]=C(\NCc1cc(Br)ccc1F)N[*:1]
C/[NH+]=C(\NCc1cc(Br)ccc1F)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C/[NH+]=C(\NCc1cc(Br)ccc1F)NC[*:1]
NC(=O)[C@H]1CCN(C(=O)/C(=C/c2ccccc2)c2cccs2)C1 NC(=O)[*:1] O=C(/C(=C/c1ccccc1)c1cccs1)N1CC[C@@H](C1)[*:1]
NC(=O)[C@H]1CCN(C(=O)/C(=C/c2ccccc2)c2cccs2)C1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CCN(C1)C(=O)C(=C[*:1])c1cccs1
NC(=O)[C@H]1CCN(C(=O)/C(=C/c2ccccc2)c2cccs2)C1 c1csc(c1)[*:1] NC(=O)[C@H]1CCN(C1)C(=O)C(=Cc1ccccc1)[*:1]
COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 COC[C@H](C)[*:1] COc1ccc(cc1Cl)S(=O)(=O)N[*:1]
COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 COC[*:1] COc1ccc(cc1Cl)S(=O)(=O)N[C@@H](C)[*:1]
C[C@@]1(NC(=O)c2csc(C#CCCO)c2)CCS(=O)(=O)C1 OCCC#C[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)c1csc(c1)[*:1]
C[C@@]1(NC(=O)c2csc(C#CCCO)c2)CCS(=O)(=O)C1 OCC[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)c1csc(C#C[*:1])c1
CC[C@H](C)N(CCOC)c1nc(Cl)ncc1F COC[*:1] CC[C@H](C)N(C[*:1])c1nc(Cl)ncc1F
CC[C@H](C)N(CCOC)c1nc(Cl)ncc1F CC[C@H](C)[*:1] COCCN(c1nc(Cl)ncc1F)[*:1]
CC[C@H](C)N(CCOC)c1nc(Cl)ncc1F COCC[*:1] CC[C@H](C)N(c1nc(Cl)ncc1F)[*:1]
CNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4cccc(Cl)c4)c(=O)c3s2)C1 O=C(Nc1cccc(Cl)c1)[*:1] CNC(=O)[C@H]1CCCN(C1)c1nc2ncn(C[*:1])c(=O)c2s1
CNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4cccc(Cl)c4)c(=O)c3s2)C1 Clc1cccc(c1)[*:1] CNC(=O)[C@H]1CCCN(C1)c1nc2ncn(CC(=O)N[*:1])c(=O)c2s1
CNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4cccc(Cl)c4)c(=O)c3s2)C1 CNC(=O)[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCC[C@@H](C1)[*:1])Nc1cccc(Cl)c1
Cc1ccc(-n2nnnc2N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CN(CC2CCN(CC2)c2nnnn2[*:1])C[C@@H](C)O1
Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(C(N)=O)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1OC(=O)c1ccc(cc1)C(N)=O)[*:1]
Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1OC(=O)c1ccc(cc1)[*:1])[N+](=O)[O-]
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 CC(C)(C)c1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCC[C@H](C1)c1nc2ccccc2s1
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 CC(C)(C)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])C(=O)N1CCC[C@H](C1)c1nc2ccccc2s1
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CCC[C@@H](C1)[*:1]
Cn1nc(NC(=O)Cc2cccc3ccccc23)c2c1NC(=O)C[C@@H]2c1ccccc1 c1ccc2c(cccc2c1)[*:1] Cn1nc(NC(=O)C[*:1])c2c1NC(=O)C[C@@H]2c1ccccc1
Cn1nc(NC(=O)Cc2cccc3ccccc23)c2c1NC(=O)C[C@@H]2c1ccccc1 c1ccc(cc1)[*:1] Cn1nc(NC(=O)Cc2cccc3ccccc23)c2c1NC(=O)C[C@H]2[*:1]
COC(=O)C1(N(C)Cc2c(F)cccc2F)CCCC1 COC(=O)[*:1] CN(Cc1c(F)cccc1F)C1(CCCC1)[*:1]
CN(CCOc1ccccc1)C(=O)Nc1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] CN(CCOc1ccccc1)C(=O)Nc1ccccc1[*:1]
CN(CCOc1ccccc1)C(=O)Nc1ccccc1S(C)(=O)=O c1ccc(cc1)OC[*:1] CN(C[*:1])C(=O)Nc1ccccc1S(C)(=O)=O
CN(CCOc1ccccc1)C(=O)Nc1ccccc1S(C)(=O)=O c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)Nc1ccccc1S(C)(=O)=O
CN(CCOc1ccccc1)C(=O)Nc1ccccc1S(C)(=O)=O c1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)Nc1ccccc1S(C)(=O)=O
CCNc1ncc(CN2C(=O)CN(C)C2=O)s1 CCN[*:1] CN1CC(=O)N(Cc2cnc(s2)[*:1])C1=O
CC(=O)N1CCC(C(=O)N(C)CCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(=O)N1CCC(CC1)C(=O)N(C)CC[*:1]
CC(=O)N1CCC(C(=O)N(C)CCCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)C(=O)N(C)CCC[*:1]
CCc1nn(C)c2c1nc(CCCl)n2C(CC)CC CCC(CC)[*:1] CCc1nn(C)c2c1nc(CCCl)n2[*:1]
CCc1nn(C)c2c1nc(CCCl)n2C(CC)CC ClCC[*:1] CCc1nn(C)c2c1nc(n2C(CC)CC)[*:1]
CSCC(=O)NNC(=O)c1cc(Cl)ccc1F CSC[*:1] O=C(NNC(=O)[*:1])c1cc(Cl)ccc1F
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Br)s1 c1csc(n1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccc(Br)s1
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)[*:1]
O=C1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC(N/N=C\c2ccco2)=N1 c1coc(c1)[*:1] O=C1C[C@H](SC(=N1)NN=C[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
O=C1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC(N/N=C\c2ccco2)=N1 Clc1ccc(cc1Cl)[*:1] O=C1C[C@H](SC(=N1)N/N=C\c1ccco1)C(=O)N[*:1]
O=C(CSC(=S)N1CCCC1)Nc1cc(C2CCCC2)nn1-c1ccccc1 C1CCC(C1)[*:1] O=C(CSC(=S)N1CCCC1)Nc1cc(nn1-c1ccccc1)[*:1]
O=C(CSC(=S)N1CCCC1)Nc1cc(C2CCCC2)nn1-c1ccccc1 S=C(SC[*:1])N1CCCC1 O=C(Nc1cc(nn1-c1ccccc1)C1CCCC1)[*:1]
O=C(CSC(=S)N1CCCC1)Nc1cc(C2CCCC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(CSC(=S)N1CCCC1)Nc1cc(nn1[*:1])C1CCCC1
O=C(CSC(=S)N1CCCC1)Nc1cc(C2CCCC2)nn1-c1ccccc1 S=C(S[*:1])N1CCCC1 O=C(C[*:1])Nc1cc(nn1-c1ccccc1)C1CCCC1
C[C@H]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnsn2)C1 c1nsnc1[*:1] C[C@H]1CC[C@@H]2[C@H](CCCN2C(=O)[*:1])C1
CCCOCC(=O)N(C)c1cc(-c2ccc(OC)cc2)[nH]n1 CCCOC[*:1] COc1ccc(cc1)-c1cc(n[nH]1)N(C)C(=O)[*:1]
CCCOCC(=O)N(C)c1cc(-c2ccc(OC)cc2)[nH]n1 CCC[*:1] COc1ccc(cc1)-c1cc(n[nH]1)N(C)C(=O)CO[*:1]
CCCOCC(=O)N(C)c1cc(-c2ccc(OC)cc2)[nH]n1 CCCO[*:1] COc1ccc(cc1)-c1cc(n[nH]1)N(C)C(=O)C[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(O)c2)ccc1OC(C)C CC(C)O[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2cccc(O)c2)ccc1[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(O)c2)ccc1OC(C)C Oc1cccc(c1)[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])ccc1OC(C)C
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(O)c2)ccc1OC(C)C CC(C)[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2cccc(O)c2)ccc1O[*:1]
CC[NH+]1CCN(C(=O)N[C@H](C)C(C)(C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)C(=O)N[C@H](C)C(C)(C)[*:1]
CSCC[C@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] CSCC[*:1] Cc1c(CC(=O)N[C@H](C(=O)[O-])[*:1])c(=O)oc2cc(O)ccc12
CSCC[C@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] CSC[*:1] Cc1c(CC(=O)N[C@@H](C[*:1])C(=O)[O-])c(=O)oc2cc(O)ccc12
CSCC[C@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] O=C([O-])[*:1] CSCC[C@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)[*:1]
COC(=O)C1(N(C)C(=O)c2cc(-c3ccccc3)on2)CCCCC1 COC(=O)[*:1] CN(C(=O)c1cc(on1)-c1ccccc1)C1(CCCCC1)[*:1]
COC(=O)C1(N(C)C(=O)c2cc(-c3ccccc3)on2)CCCCC1 c1ccc(cc1)[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)c1cc(on1)[*:1]
CC[C@H](C)N(C)C(=O)c1sc2cccc(F)c2c1N CC[C@H](C)[*:1] CN(C(=O)c1sc2cccc(F)c2c1N)[*:1]
C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)C[C@@H](C)S1 FC(F)(F)C[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)[C@@H]1CCCN1C(=O)O[*:1]
C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)C[C@@H](C)S1 FC(F)(F)[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)[C@@H]1CCCN1C(=O)OC[*:1]
N#Cc1ccc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCC1(CCCC1)[NH+]1CCSCC1)C(=O)N[*:1]
CCOc1ccc(C2=CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(Cc1ccccc1)NCC(=O)N1CC=C(CC1)[*:1]
CCOc1ccc(C2=CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)cc1 CCO[*:1] O=C(Cc1ccccc1)NCC(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)CNC(=O)C[*:1]
CCOc1ccc(C2=CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)CNC(=O)[*:1]
CC(C)(C)[C@H]1CN(CC(C)(C)S(C)(=O)=O)CC[NH2+]1 CC(C)(C)[*:1] CC(C)(CN1CC[NH2+][C@H](C1)[*:1])S(C)(=O)=O
CC(C)(C)[C@H]1CN(CC(C)(C)S(C)(=O)=O)CC[NH2+]1 CS(=O)(=O)[*:1] CC(C)(C)[C@H]1CN(CC[NH2+]1)CC(C)(C)[*:1]
C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccc(C2CC2)c1 C1CC1[*:1] C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccc(c1)[*:1]
O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 O=C(Cc1ccccc1Cl)Nc1ccc(cc1)[*:1]
O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] O=C(Cc1ccccc1Cl)Nc1ccc(cc1)NC(=O)[*:1]
O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1 Clc1ccccc1[*:1] O=C(C[*:1])Nc1ccc(cc1)NC(=O)c1ccco1
O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1 Clc1ccccc1C[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccco1
O=C(NCC1CCN(C(=O)Nc2ccccc2)CC1)c1cc2scnc2[nH]1 c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)N[*:1])c1cc2scnc2[nH]1
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N[C@H](C)[C@H]2CCCO2)n1 C1CO[C@H](C1)[*:1] Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N[C@H](C)[*:1])n1
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N[C@H](C)[C@H]2CCCO2)n1 Cc1cccc(n1)[*:1] Cc1cccc(CN(C[*:1])C(=O)N[C@H](C)[C@H]2CCCO2)n1
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N[C@H](C)[C@H]2CCCO2)n1 Cc1cccc(C[*:1])n1 Cc1cccc(CN(C(=O)N[C@H](C)[C@H]2CCCO2)[*:1])n1
CCc1ccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 CCc1ccc(cc1)[*:1] COC(=O)[C@@H]1[C@H](c2c(O)n[nH]c2C[C@@]1(C)O)[*:1]
CCc1ccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC)cc1 COC(=O)[*:1] CCc1ccc(cc1)[C@H]1c2c(O)n[nH]c2C[C@@](C)(O)[C@H]1[*:1]
CCc1ccc(C[C@H](C)[C@@H](C)[NH2+]C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)C[C@H](C)[C@@H](C)[NH2+][*:1]
O=C(Nc1ccccc1)c1nnc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 O=C(Nc1ccccc1)[*:1] O=C(CCc1nnc(s1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(Nc1ccccc1)c1nnc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 c1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(CCC(=O)N2CCN(CC2)c2ccc(F)cc2)s1
O=C(Nc1ccccc1)c1nnc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1nnc(CCC(=O)N2CCN(CC2)[*:1])s1
Cc1cc(C)n(C2CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)n1 CC(C)[*:1] Cc1cc(C)n(n1)C1CN(C1)C(=O)C1CC[NH+](CC1)[*:1]
Cc1cc(C)n(C2CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)n1 Cc1cc(C)n(n1)[*:1] CC(C)[NH+]1CCC(CC1)C(=O)N1CC(C1)[*:1]
CCN[C@@H](c1ccccc1C)C(CC)(CC)[NH+](C)C CCN[*:1] CCC(CC)([C@H](c1ccccc1C)[*:1])[NH+](C)C
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@@H](C)[C@@H]2C)s1 CC(C)CC(=O)N[*:1] C[C@@H]1OCCN([C@H]1C)S(=O)(=O)c1ccc(CC[*:1])s1
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@@H](C)[C@@H]2C)s1 CC(C)C[*:1] C[C@@H]1OCCN([C@H]1C)S(=O)(=O)c1ccc(CCNC(=O)[*:1])s1
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@@H](C)[C@@H]2C)s1 CC(C)CC(=O)NC[*:1] C[C@@H]1OCCN([C@H]1C)S(=O)(=O)c1ccc(C[*:1])s1
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@@H](C)[C@@H]2C)s1 CC(C)[*:1] C[C@@H]1OCCN([C@H]1C)S(=O)(=O)c1ccc(CCNC(=O)C[*:1])s1
CC(C)CCNC(=O)Cc1csc(N2CCNC2=O)n1 CC(C)C[*:1] O=C(Cc1csc(n1)N1CCNC1=O)NC[*:1]
CC(C)CCNC(=O)Cc1csc(N2CCNC2=O)n1 CC(C)[*:1] O=C(Cc1csc(n1)N1CCNC1=O)NCC[*:1]
CC(C)CCNC(=O)Cc1csc(N2CCNC2=O)n1 CC(C)CC[*:1] O=C(Cc1csc(n1)N1CCNC1=O)N[*:1]
CC(C)CCNC(=O)Cc1csc(N2CCNC2=O)n1 O=C1NCCN1[*:1] CC(C)CCNC(=O)Cc1csc(n1)[*:1]
O=C(Cc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 Clc1ccc(cc1)C[*:1] O=C(N[C@@H](c1ccccc1)c1nnc(o1)-c1ccccc1)[*:1]
O=C(Cc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 Clc1ccc(cc1)[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)c1nnc(o1)-c1ccccc1
O=C(Cc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(Cc1ccc(Cl)cc1)N[C@@H](c1nnc(o1)-c1ccccc1)[*:1]
O=C(Cc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(Cc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1nnc(o1)[*:1]
CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1]
O=C(c1ncccc1C(F)(F)F)N1CC[C@]2(O)CCCC[C@@H]2C1 FC(F)(F)[*:1] O=C(c1ncccc1[*:1])N1CC[C@]2(O)CCCC[C@@H]2C1
CCC[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CCC2 CCC[*:1] O=C(Nc1ccc2CCCc2c1)C(=O)N[C@@H]1C[C@@H]1[*:1]
C[C@H](NC(=O)CCCOc1cccnc1)c1ccc2c(c1)OCCO2 c1cncc(c1)OC[*:1] C[C@H](NC(=O)CC[*:1])c1ccc2OCCOc2c1
C[C@H](NC(=O)CCCOc1cccnc1)c1ccc2c(c1)OCCO2 c1cncc(c1)[*:1] C[C@H](NC(=O)CCCO[*:1])c1ccc2OCCOc2c1
C[C@H](NC(=O)CCCOc1cccnc1)c1ccc2c(c1)OCCO2 c1cncc(c1)O[*:1] C[C@H](NC(=O)CCC[*:1])c1ccc2OCCOc2c1
COc1ccccc1C1(CNC(=O)N(C)Cc2ncnn2C)CCCC1 Cn1ncnc1[*:1] COc1ccccc1C1(CCCC1)CNC(=O)N(C)C[*:1]
COc1ccccc1C1(CNC(=O)N(C)Cc2ncnn2C)CCCC1 Cn1ncnc1C[*:1] COc1ccccc1C1(CCCC1)CNC(=O)N(C)[*:1]
COc1ccccc1C1(CNC(=O)N(C)Cc2ncnn2C)CCCC1 COc1ccccc1[*:1] CN(Cc1ncnn1C)C(=O)NCC1(CCCC1)[*:1]
CC(C)[C@H](NC(=O)NCCNc1ccc2ccccc2n1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)NCCNc1ccc2ccccc2n1)[*:1]
CC(C)[C@H](NC(=O)NCCNc1ccc2ccccc2n1)c1ccccn1 CC(C)[*:1] O=C(NCCNc1ccc2ccccc2n1)N[C@H](c1ccccn1)[*:1]
Cc1ccc(C[NH2+]CC(C)(C)N2CCOCC2)s1 C1CN(CCO1)[*:1] Cc1ccc(C[NH2+]CC(C)(C)[*:1])s1
Cc1ccc(C[NH2+]CC(C)(C)N2CCOCC2)s1 Cc1ccc(s1)[*:1] CC(C)(C[NH2+]C[*:1])N1CCOCC1
C[NH+]1CCC(Nc2ccccc2OC(F)F)CC1 FC(F)O[*:1] C[NH+]1CCC(CC1)Nc1ccccc1[*:1]
C[NH+]1CCC(Nc2ccccc2OC(F)F)CC1 FC(F)[*:1] C[NH+]1CCC(CC1)Nc1ccccc1O[*:1]
CCN(Cc1ccccc1)C(=O)C[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1ccccc1)C(=O)C[C@H](C)[*:1]
CCN(Cc1ccccc1)C(=O)C[C@H](C)c1ccccc1 c1ccc(cc1)C[*:1] CCN(C(=O)C[C@H](C)c1ccccc1)[*:1]
CCN(Cc1ccccc1)C(=O)C[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)C[C@H](C)c1ccccc1
CC(=O)N(c1nnc(S[C@H](C)c2ccccc2Cl)s1)C1CC1 C1CC1[*:1] CC(=O)N(c1nnc(S[C@H](C)c2ccccc2Cl)s1)[*:1]
CC(=O)N(c1nnc(S[C@H](C)c2ccccc2Cl)s1)C1CC1 Clc1ccccc1[*:1] CC(=O)N(c1nnc(S[C@H](C)[*:1])s1)C1CC1
CC(=O)N(c1nnc(S[C@H](C)c2ccccc2Cl)s1)C1CC1 CC(=O)N(C1CC1)[*:1] C[C@@H](Sc1nnc(s1)[*:1])c1ccccc1Cl
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@H](C(C)C)C1=O CC(C)[*:1] Cc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@H](C1=O)[*:1]
CNC(=O)CC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 CNC(=O)[*:1] O=C(Cc1ccc(Cl)cc1)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 CNC(=O)C[*:1] O=C(Cc1ccc(Cl)cc1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)C[*:1]
CN1C(=O)NC2(CC[NH+](Cc3csc(-c4ncccn4)n3)CC2)C1=O c1cnc(nc1)[*:1] CN1C(=O)NC2(CC[NH+](CC2)Cc2csc(n2)[*:1])C1=O
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1c(F)cccc1F NC(=O)[*:1] C[C@H]1CC[C@H](CN1C(=O)/C=C/c1c(F)cccc1F)[*:1]
C[C@@H](Nc1ccc(C(=O)[O-])c(F)c1F)C(N)=O C[C@@H](C(N)=O)[*:1] O=C([O-])c1ccc(N[*:1])c(F)c1F
C[C@@H](Nc1ccc(C(=O)[O-])c(F)c1F)C(N)=O NC(=O)[*:1] C[C@@H](Nc1ccc(C(=O)[O-])c(F)c1F)[*:1]
C[C@@H](Nc1ccc(C(=O)[O-])c(F)c1F)C(N)=O O=C([O-])[*:1] C[C@@H](Nc1ccc(c(F)c1F)[*:1])C(N)=O
O=C(N[C@H]1CCc2cc(Cl)ccc21)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(N[C@H]1CCc2cc(Cl)ccc21)C1CCN(CC1)C(=O)[*:1]
Cn1ncnc1NC(=O)NCCc1c[nH]c2cc(Cl)ccc12 Cn1ncnc1[*:1] O=C(NCCc1c[nH]c2cc(Cl)ccc12)N[*:1]
Cc1ccc(-c2ccc3oc(C[NH+]4CCCN(C(=O)c5ccno5)CC4)cc3c2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccno1)N1CCC[NH+](CC1)Cc1cc2cc(ccc2o1)[*:1]
Cc1ccc(-c2ccc3oc(C[NH+]4CCCN(C(=O)c5ccno5)CC4)cc3c2)cc1 c1cc(on1)[*:1] Cc1ccc(cc1)-c1ccc2oc(cc2c1)C[NH+]1CCCN(CC1)C(=O)[*:1]
Cc1ccc(N2C(=O)C[C@@H](C(=O)N3CCC[C@H](O)C3)[C@@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N([C@H]1c1cccs1)[*:1])N1CCC[C@H](O)C1
Cc1ccc(N2C(=O)C[C@@H](C(=O)N3CCC[C@H](O)C3)[C@@H]2c2cccs2)cc1 O=C(N1CCC[C@H](O)C1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H]([C@@H]1c1cccs1)[*:1]
Cc1ccc(N2C(=O)C[C@@H](C(=O)N3CCC[C@H](O)C3)[C@@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C(=O)N2CCC[C@H](O)C2)[C@H]1[*:1]
COC(=O)[C@H]1CCN(C(=O)Nc2sccc2C(=O)[O-])C1 COC(=O)[*:1] O=C([O-])c1ccsc1NC(=O)N1CC[C@@H](C1)[*:1]
COC(=O)[C@H]1CCN(C(=O)Nc2sccc2C(=O)[O-])C1 O=C([O-])[*:1] COC(=O)[C@H]1CCN(C1)C(=O)Nc1sccc1[*:1]
Cc1ccc(OCC(=O)NNC(=O)N[C@H](C)Cc2cccs2)cc1C c1csc(c1)C[*:1] Cc1ccc(cc1C)OCC(=O)NNC(=O)N[C@H](C)[*:1]
Cc1ccc(OCC(=O)NNC(=O)N[C@H](C)Cc2cccs2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)OCC(=O)NNC(=O)N[C@H](C)C[*:1]
Cc1ccc(OCC(=O)NNC(=O)N[C@H](C)Cc2cccs2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](Cc1cccs1)NC(=O)NNC(=O)CO[*:1]
CN(CCS(C)(=O)=O)Cn1nc(C2CC2)n(C)c1=S CS(=O)(=O)CC[*:1] CN(Cn1nc(C2CC2)n(C)c1=S)[*:1]
CN(CCS(C)(=O)=O)Cn1nc(C2CC2)n(C)c1=S C1CC1[*:1] CN(CCS(C)(=O)=O)Cn1nc(n(C)c1=S)[*:1]
CN(CCS(C)(=O)=O)Cn1nc(C2CC2)n(C)c1=S CS(=O)(=O)C[*:1] CN(Cn1nc(C2CC2)n(C)c1=S)C[*:1]
CN(CCS(C)(=O)=O)Cn1nc(C2CC2)n(C)c1=S CS(=O)(=O)[*:1] CN(CC[*:1])Cn1nc(C2CC2)n(C)c1=S
CC(=O)Nc1cc(NC(=O)NCC2CCCCCCC2)ccc1F C1CCCC(CCC1)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)NC[*:1]
CC(=O)Nc1cc(NC(=O)NCC2CCCCCCC2)ccc1F CC(=O)N[*:1] O=C(NCC1CCCCCCC1)Nc1ccc(F)c(c1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ccc(COC)cc3)CC2)cc1 COC[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ccc(COC)cc3)CC2)cc1 CCO[*:1] COCc1ccc(cc1)C(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
CC(C)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)C(=O)OCC(=O)N[*:1]
CC(C)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1 CC(C)[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])Nc1ccc(F)cc1
C[C@@](O)(CNC(=O)Nc1cccc(-n2ccnn2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)Nc1cccc(c1)-n1ccnn1)[*:1]
C[C@@](O)(CNC(=O)Nc1cccc(-n2ccnn2)c1)c1ccc(F)cc1 c1cn(nn1)[*:1] C[C@@](O)(CNC(=O)Nc1cccc(c1)[*:1])c1ccc(F)cc1
Cc1ccc2oc(C(=O)Nc3ccc(Cc4nnc(-c5ccccc5)o4)cc3)cc(=O)c2c1 c1ccc(cc1)-c1nnc(o1)[*:1] Cc1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(cc1)C[*:1]
Cc1ccc2oc(C(=O)Nc3ccc(Cc4nnc(-c5ccccc5)o4)cc3)cc(=O)c2c1 c1ccc(cc1)[*:1] Cc1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(cc1)Cc1nnc(o1)[*:1]
Cc1cccc(C[NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)n1 Cc1cccc(n1)[*:1] O=C(c1ccc(Cl)cc1OC1CC[NH+](CC1)C[*:1])N1CCCCC1
Cc1cccc(C[NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)n1 Cc1cccc(C[*:1])n1 O=C(c1ccc(Cl)cc1OC1CC[NH+](CC1)[*:1])N1CCCCC1
Cc1cccc(C[NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)n1 O=C(N1CCCCC1)[*:1] Cc1cccc(C[NH+]2CCC(CC2)Oc2cc(Cl)ccc2[*:1])n1
CC(C)=C[C@@H]1[C@H](C(=O)NCCNC(=O)C2CC2)C1(C)C CC(C)=C[*:1] CC1(C)[C@@H](C(=O)NCCNC(=O)C2CC2)[C@H]1[*:1]
CC(C)=C[C@@H]1[C@H](C(=O)NCCNC(=O)C2CC2)C1(C)C C1CC1[*:1] CC(C)=C[C@@H]1[C@H](C(=O)NCCNC(=O)[*:1])C1(C)C
CC(C)=C[C@@H]1[C@H](C(=O)NCCNC(=O)C2CC2)C1(C)C O=C(N[*:1])C1CC1 CC(C)=C[C@@H]1[C@H](C(=O)NCC[*:1])C1(C)C
COc1ccc(C(=O)C2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)cc1 COc1ccc(cc1)[*:1] C[NH+]1CCC(CC1)NC(=O)N1CCC(CC1)C(=O)[*:1]
Cc1oc2ncnc(NC[C@H]3CCCN(c4ncccn4)C3)c2c1C c1cnc(nc1)[*:1] Cc1oc2ncnc(NC[C@H]3CCCN(C3)[*:1])c2c1C
Cc1nc(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)cs1 Cc1nc(cs1)[*:1] Cn1c(NCC[*:1])c(C#N)c(=O)n(C)c1=O
Cc1nc(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)cs1 Cc1nc(cs1)C[*:1] Cn1c(NC[*:1])c(C#N)c(=O)n(C)c1=O
COCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O COCCO[C@@H](C)[*:1] O=C1[C@@H](CCCN1c1ccccc1F)NC(=O)[*:1]
COCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O COCC[*:1] C[C@H](O[*:1])C(=O)N[C@@H]1CCCN(C1=O)c1ccccc1F
COCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O COCCO[*:1] C[C@@H](C(=O)N[C@@H]1CCCN(C1=O)c1ccccc1F)[*:1]
COCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O COC[*:1] C[C@H](OC[*:1])C(=O)N[C@@H]1CCCN(C1=O)c1ccccc1F
COCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] COCCO[C@@H](C)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
CCCCc1nc(-c2ccc(OC(=O)c3ccncc3F)cc2)no1 CCCC[*:1] O=C(Oc1ccc(cc1)-c1noc(n1)[*:1])c1ccncc1F
CCCCc1nc(-c2ccc(OC(=O)c3ccncc3F)cc2)no1 Fc1cnccc1[*:1] CCCCc1nc(no1)-c1ccc(cc1)OC(=O)[*:1]
CCCCc1nc(-c2ccc(OC(=O)c3ccncc3F)cc2)no1 CCC[*:1] O=C(Oc1ccc(cc1)-c1noc(C[*:1])n1)c1ccncc1F
C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccco2)n1C c1coc(c1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(n1C)[*:1]
O=C(CO/N=C/c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(CO/N=C/c1ccc(Cl)cc1)Nc1ccccc1[*:1]
O=C(CO/N=C/c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1=O Clc1ccc(cc1)[*:1] O=C(CON=C[*:1])Nc1ccccc1N1CCCC1=O
CC(C)=C[C@H]1[C@@H](C(=O)NCc2cccc(OCC(N)=O)c2)C1(C)C NC(=O)CO[*:1] CC(C)=C[C@H]1[C@@H](C(=O)NCc2cccc(c2)[*:1])C1(C)C
CC(C)=C[C@H]1[C@@H](C(=O)NCc2cccc(OCC(N)=O)c2)C1(C)C NC(=O)C[*:1] CC(C)=C[C@H]1[C@@H](C(=O)NCc2cccc(c2)O[*:1])C1(C)C
CC(C)=C[C@H]1[C@@H](C(=O)NCc2cccc(OCC(N)=O)c2)C1(C)C CC(C)=C[*:1] CC1(C)[C@H]([C@H]1C(=O)NCc1cccc(c1)OCC(N)=O)[*:1]
CC(C)=C[C@H]1[C@@H](C(=O)NCc2cccc(OCC(N)=O)c2)C1(C)C NC(=O)[*:1] CC(C)=C[C@H]1[C@@H](C(=O)NCc2cccc(c2)OC[*:1])C1(C)C
CCc1ccc(O[C@H](C)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)Cc1ccc(Cl)cc1
CCc1ccc(O[C@H](C)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] CCc1ccc(cc1)O[C@H](C)C(=O)NNC(=O)[*:1]
CCc1ccc(O[C@H](C)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCc1ccc(cc1)O[C@H](C)C(=O)NNC(=O)C[*:1]
Cc1nc(CC(C)C)sc1C(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 CC(C)C[*:1] Cc1nc(sc1C(=O)N(C)[C@@H](C)c1ccc(cc1)S(N)(=O)=O)[*:1]
Cc1nc(CC(C)C)sc1C(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 CC(C)[*:1] Cc1nc(C[*:1])sc1C(=O)N(C)[C@@H](C)c1ccc(cc1)S(N)(=O)=O
Cc1nc(CC(C)C)sc1C(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cc1nc(CC(C)C)sc1C(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] C[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1nc(cs1)[*:1]
C[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C1(CC1)[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)C1(CC1)c1ccccc1)c1ccc(cc1)[*:1]
CCc1ccc2nc(O)c(C(=O)[O-])cc2c1 O=C([O-])[*:1] CCc1ccc2nc(O)c(cc2c1)[*:1]
C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 Brc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1
C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 Brc1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)[*:1]
CN(CCO)S(=O)(=O)c1ccc(Br)cc1N OCC[*:1] CN(S(=O)(=O)c1ccc(Br)cc1N)[*:1]
COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)[C@@H]1C C1CCCC(CC1)[*:1] COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@@H](C2)C(=O)N[*:1])[C@@H]1C
COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)[C@@H]1C COC(=O)[*:1] CC1N=C(C(=O)N2CCC[C@@H](C2)C(=O)NC2CCCCCC2)[C@H](C)C=1[*:1]
CCOc1ccc(I)c(OCC)c1F CCO[*:1] CCOc1c(I)ccc(c1F)[*:1]
CCOc1ccc(I)c(OCC)c1F CCO[*:1] CCOc1ccc(I)c(c1F)[*:1]
CC(C)C[C@H](CNC(=O)N[C@@H](C)c1nccs1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)N[C@@H](C)c1nccs1)[*:1]
CC(C)C[C@H](CNC(=O)N[C@@H](C)c1nccs1)C(=O)[O-] CC(C)C[*:1] C[C@H](NC(=O)NC[C@H](C(=O)[O-])[*:1])c1nccs1
CC(C)C[C@H](CNC(=O)N[C@@H](C)c1nccs1)C(=O)[O-] c1csc(n1)[*:1] CC(C)C[C@H](CNC(=O)N[C@@H](C)[*:1])C(=O)[O-]
CC(C)C[C@H](CNC(=O)N[C@@H](C)c1nccs1)C(=O)[O-] CC(C)[*:1] C[C@H](NC(=O)NC[C@@H](C[*:1])C(=O)[O-])c1nccs1
Cc1cc(C(=O)N[C@H](C)c2cccnc2)sc1Br c1cncc(c1)[*:1] Cc1cc(sc1Br)C(=O)N[C@H](C)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1 CC(C)[*:1] C[NH+](C)C[C@H](C[*:1])NC(=O)NCc1ccccc1
CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1 CC(C)C[*:1] C[NH+](C)C[C@@H](NC(=O)NCc1ccccc1)[*:1]
CCC(=O)Nc1cccc(NC(N)=O)c1 CCC(=O)N[*:1] NC(=O)Nc1cccc(c1)[*:1]
CCC(=O)Nc1cccc(NC(N)=O)c1 NC(=O)N[*:1] CCC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(Cl)c1 CC(C)C[*:1] Cc1ccc(NC(=O)[C@@H](N2C(=O)[C@H]3CC=CC[C@H]3C2=O)[*:1])c(Cl)c1
Cc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] CC(C)C[C@H](C(=O)N[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
Cc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(Cl)c1 CC(C)[*:1] Cc1ccc(NC(=O)[C@@H](C[*:1])N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(Cl)c1
CC(=O)N(C[C@@H]1[C@@H](C)CC(C)=C[C@H]1C)C1CCCCC1 C1CCC(CC1)[*:1] CC(=O)N(C[C@@H]1[C@@H](C)CC(C)=C[C@H]1C)[*:1]
O=C(Cn1cnc([N+](=O)[O-])n1)c1ccccc1OC(F)F O=[N+]([O-])[*:1] O=C(Cn1cnc(n1)[*:1])c1ccccc1OC(F)F
O=C(Cn1cnc([N+](=O)[O-])n1)c1ccccc1OC(F)F FC(F)[*:1] O=C(Cn1cnc(n1)[N+](=O)[O-])c1ccccc1O[*:1]
O=C(Cn1cnc([N+](=O)[O-])n1)c1ccccc1OC(F)F FC(F)O[*:1] O=C(Cn1cnc(n1)[N+](=O)[O-])c1ccccc1[*:1]
O=CN1CCN(C(=O)CSCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=CN1CCN(CC1)C(=O)CSC[*:1]
CCCCCNC(=O)CN1CCC[C@H](NC(C)=O)C1 CCC[*:1] CC(=O)N[C@H]1CCCN(CC(=O)NCC[*:1])C1
CCCCCNC(=O)CN1CCC[C@H](NC(C)=O)C1 CC(=O)N[*:1] CCCCCNC(=O)CN1CCC[C@H](C1)[*:1]
CCCCCNC(=O)CN1CCC[C@H](NC(C)=O)C1 CCCCC[*:1] CC(=O)N[C@H]1CCCN(CC(=O)N[*:1])C1
CCCCCNC(=O)CN1CCC[C@H](NC(C)=O)C1 CCCC[*:1] CC(=O)N[C@H]1CCCN(CC(=O)NC[*:1])C1
CCc1noc(-c2ccc(CCN[C@H](C)c3scnc3C)cc2)n1 CCc1noc(n1)[*:1] Cc1ncsc1[C@@H](C)NCCc1ccc(cc1)[*:1]
CCc1noc(-c2ccc(CCN[C@H](C)c3scnc3C)cc2)n1 Cc1ncsc1[*:1] CCc1noc(n1)-c1ccc(cc1)CCN[C@H](C)[*:1]
CC(C)[C@@H](NC(=O)NC[C@@H](C)C[C@@H](C)O)c1ccccc1Cl C[C@@H](O)[*:1] CC(C)[C@@H](NC(=O)NC[C@@H](C)C[*:1])c1ccccc1Cl
CC(C)[C@@H](NC(=O)NC[C@@H](C)C[C@@H](C)O)c1ccccc1Cl C[C@@H](O)C[*:1] CC(C)[C@@H](NC(=O)NC[C@@H](C)[*:1])c1ccccc1Cl
CC(C)[C@@H](NC(=O)NC[C@@H](C)C[C@@H](C)O)c1ccccc1Cl CC(C)[*:1] C[C@H](CNC(=O)N[C@@H](c1ccccc1Cl)[*:1])C[C@@H](C)O
CC(C)[C@@H](NC(=O)NC[C@@H](C)C[C@@H](C)O)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)[C@@H](NC(=O)NC[C@@H](C)C[C@@H](C)O)[*:1]
CC(C)[C@H](CNC(=O)[C@H]1CSc2ccccc21)C(=O)[O-] CC(C)[*:1] O=C(NC[C@H](C(=O)[O-])[*:1])[C@H]1CSc2ccccc21
CC(C)[C@H](CNC(=O)[C@H]1CSc2ccccc21)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](CNC(=O)[C@H]1CSc2ccccc21)[*:1]
CCN(CC(C)(C)C[NH3+])[C@@H](C)C(=O)N(C)C CN(C)C(=O)[*:1] CCN(CC(C)(C)C[NH3+])[C@@H](C)[*:1]
C[C@H](OC(=O)CCC(=O)Nc1nccs1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](OC(=O)CCC(=O)Nc1nccs1)[*:1]
C[C@H](OC(=O)CCC(=O)Nc1nccs1)c1ccccn1 c1csc(n1)[*:1] C[C@H](OC(=O)CCC(=O)N[*:1])c1ccccn1
CCc1ccc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 O=[N+]([O-])[*:1] CCc1ccc(s1)C(=O)COC(=O)c1cc2OCCOc2cc1[*:1]
CCc1ccc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 CCc1ccc(s1)[*:1] O=C(OCC(=O)[*:1])c1cc2OCCOc2cc1[N+](=O)[O-]
CN(C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)C(C1CC1)C1CC1 C1CCC(C1)[*:1] CN(C(=O)C[C@]1(CC(=O)N(C1=O)[*:1])c1ccccc1Cl)C(C1CC1)C1CC1
CN(C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)C(C1CC1)C1CC1 Clc1ccccc1[*:1] CN(C(=O)C[C@]1(CC(=O)N(C1=O)C1CCCC1)[*:1])C(C1CC1)C1CC1
CN(C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)C(C1CC1)C1CC1 C1CC1[*:1] CN(C(=O)C[C@]1(CC(=O)N(C1=O)C1CCCC1)c1ccccc1Cl)C(C1CC1)[*:1]
CN(C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O)C(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] CN(C(=O)C[C@]1(CC(=O)N(C1=O)C1CCCC1)c1ccccc1Cl)[*:1]
CCCNC(=O)c1c(/N=C/c2ccc(C(F)(F)F)cc2)cnn1C CCCNC(=O)[*:1] Cn1ncc(/N=C/c2ccc(cc2)C(F)(F)F)c1[*:1]
CCCNC(=O)c1c(/N=C/c2ccc(C(F)(F)F)cc2)cnn1C CCC[*:1] Cn1ncc(/N=C/c2ccc(cc2)C(F)(F)F)c1C(=O)N[*:1]
CCCNC(=O)c1c(/N=C/c2ccc(C(F)(F)F)cc2)cnn1C FC(F)(F)[*:1] CCCNC(=O)c1c(cnn1C)/N=C/c1ccc(cc1)[*:1]
[NH3+]C1CCN(CC(=O)NCCCC(=O)NC2CC2)CC1 C1CC1[*:1] [NH3+]C1CCN(CC1)CC(=O)NCCCC(=O)N[*:1]
[NH3+]C1CCN(CC(=O)NCCCC(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] [NH3+]C1CCN(CC1)CC(=O)NCCC[*:1]
CC(=O)NCCCNC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C CC(=O)NCCC[*:1] Cn1ccnc1[C@H](NC(=O)N[*:1])c1ccc(F)cc1
CC(=O)NCCCNC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C CC(=O)NCC[*:1] Cn1ccnc1[C@H](NC(=O)NC[*:1])c1ccc(F)cc1
CC(=O)NCCCNC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C CC(=O)N[*:1] Cn1ccnc1[C@H](NC(=O)NCCC[*:1])c1ccc(F)cc1
CC(=O)NCCCNC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C Cn1ccnc1[*:1] CC(=O)NCCCNC(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC(=O)NCCCNC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C CC(=O)NC[*:1] Cn1ccnc1[C@H](NC(=O)NCC[*:1])c1ccc(F)cc1
CC(=O)NCCCNC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C Fc1ccc(cc1)[*:1] CC(=O)NCCCNC(=O)N[C@H](c1nccn1C)[*:1]
C[C@@H]1CCCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)C1 CN(C)[*:1] C[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
C[C@@H]1CCCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1[*:1])N(C)C
O=C(NCCc1ccncc1)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 c1cc(ccn1)[*:1] O=C(NCC[*:1])c1cnn(-c2nccc(n2)-c2ccccc2F)c1C1CC1
O=C(NCCc1ccncc1)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 Fc1ccccc1[*:1] O=C(NCCc1ccncc1)c1cnn(-c2nccc(n2)[*:1])c1C1CC1
O=C(NCCc1ccncc1)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 C1CC1[*:1] O=C(NCCc1ccncc1)c1cnn(-c2nccc(n2)-c2ccccc2F)c1[*:1]
O=C(NCCc1ccncc1)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 c1cc(ccn1)C[*:1] O=C(NC[*:1])c1cnn(-c2nccc(n2)-c2ccccc2F)c1C1CC1
O=C(NCCc1ccncc1)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 c1cc(ccn1)CC[*:1] O=C(N[*:1])c1cnn(-c2nccc(n2)-c2ccccc2F)c1C1CC1
O=S(=O)(NCc1nnc2n1CCCCC2)c1cc(Cl)sc1Cl Clc1cc(c(Cl)s1)[*:1] O=S(=O)(NCc1nnc2CCCCCn21)[*:1]
CCOc1cccc([C@H](C)NC(=O)c2ccc(-n3ccnn3)cc2)c1 c1cn(nn1)[*:1] CCOc1cccc(c1)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
CCOc1cccc([C@H](C)NC(=O)c2ccc(-n3ccnn3)cc2)c1 CCO[*:1] C[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)c1cccc(c1)[*:1]
Cc1c([C@@H](C)NC[C@@H](O)c2ccncc2)cnn1-c1ccccn1 O[C@@H](c1ccncc1)[*:1] Cc1c(cnn1-c1ccccn1)[C@@H](C)NC[*:1]
Cc1c([C@@H](C)NC[C@@H](O)c2ccncc2)cnn1-c1ccccn1 c1cc(ccn1)[*:1] Cc1c(cnn1-c1ccccn1)[C@@H](C)NC[C@@H](O)[*:1]
Cc1c([C@@H](C)NC[C@@H](O)c2ccncc2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC[C@@H](O)c1ccncc1
O=C(NC(=S)Nc1ccccc1C(=O)NCc1ccccc1)c1ccco1 c1ccc(cc1)C[*:1] O=C(NC(=S)Nc1ccccc1C(=O)N[*:1])c1ccco1
O=C(NC(=S)Nc1ccccc1C(=O)NCc1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(NCc1ccccc1)c1ccccc1NC(=S)NC(=O)[*:1]
O=C(NC(=S)Nc1ccccc1C(=O)NCc1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(NC(=S)Nc1ccccc1C(=O)NC[*:1])c1ccco1
CN(C(=O)c1cccc(NCC(=O)NCc2ccco2)c1)c1ccccc1 c1coc(c1)C[*:1] CN(C(=O)c1cccc(c1)NCC(=O)N[*:1])c1ccccc1
CN(C(=O)c1cccc(NCC(=O)NCc2ccco2)c1)c1ccccc1 O=C(NCc1ccco1)[*:1] CN(C(=O)c1cccc(c1)NC[*:1])c1ccccc1
CN(C(=O)c1cccc(NCC(=O)NCc2ccco2)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1cccc(c1)NCC(=O)NCc1ccco1)[*:1]
CN(C(=O)c1cccc(NCC(=O)NCc2ccco2)c1)c1ccccc1 c1coc(c1)[*:1] CN(C(=O)c1cccc(c1)NCC(=O)NC[*:1])c1ccccc1
CCOC(=O)N1CCN(c2nc(Nc3ccc(Cl)cc3)c3nccnc3n2)CC1 Clc1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)c1nc(N[*:1])c2nccnc2n1
CCOC(=O)N1CCN(c2nc(Nc3ccc(Cl)cc3)c3nccnc3n2)CC1 Clc1ccc(cc1)N[*:1] CCOC(=O)N1CCN(CC1)c1nc(c2nccnc2n1)[*:1]
CC(C)(C)SCCCc1nc(-c2ccccc2)no1 CC(C)(C)[*:1] c1ccc(cc1)-c1noc(CCCS[*:1])n1
CC(C)(C)SCCCc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)(C)SCCCc1nc(no1)[*:1]
CC(C)(C)SCCCc1nc(-c2ccccc2)no1 CC(C)(C)S[*:1] c1ccc(cc1)-c1noc(CCC[*:1])n1
CC(C)(C)SCCCc1nc(-c2ccccc2)no1 CC(C)(C)SC[*:1] c1ccc(cc1)-c1noc(CC[*:1])n1
CCN1CCC(CNC(=O)[C@H](c2ccc(F)cc2)N(C)C)([NH+](C)C)CC1 Fc1ccc(cc1)[*:1] CCN1CCC(CC1)(CNC(=O)[C@H](N(C)C)[*:1])[NH+](C)C
CCN1CCC(CNC(=O)[C@H](c2ccc(F)cc2)N(C)C)([NH+](C)C)CC1 CN(C)[*:1] CCN1CCC(CC1)(CNC(=O)[C@H](c1ccc(F)cc1)[*:1])[NH+](C)C
C[C@H](CNC(=O)[C@H](C)N1CC[NH+](Cc2ccon2)CC1)c1ccccc1 c1cc(no1)[*:1] C[C@H](CNC(=O)[C@H](C)N1CC[NH+](CC1)C[*:1])c1ccccc1
C[C@H](CNC(=O)[C@H](C)N1CC[NH+](Cc2ccon2)CC1)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](C(=O)NC[*:1])N1CC[NH+](CC1)Cc1ccon1
C[C@H](CNC(=O)[C@H](C)N1CC[NH+](Cc2ccon2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC[C@@H](C)[*:1])N1CC[NH+](CC1)Cc1ccon1
CN(Cc1ccc(F)cc1)C(=O)CN1CCCCCC1=O Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)CN1CCCCCC1=O
C[C@@H]1CC(C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCCCC[C@@H]1C=C[*:1]
C[C@@H]1CC(C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)C[C@@H](C)O1 C(=C[*:1])c1ccccc1 C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCCCC[C@H]1[*:1]
CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1[nH+]ccn1C CC(C)[*:1] CC[C@@H]1CN(CC[C@@H]1NCc1[nH+]ccn1C)S(=O)(=O)[*:1]
C[C@@H]1c2nc(N)sc2C[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@@H]12 O=C(NC1CC1)[*:1] C[C@@H]1c2nc(N)sc2C[C@]2(C)CC[C@@H]([C@H](O)[C@@H]12)[C@H](C)[*:1]
C[C@@H]1c2nc(N)sc2C[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@@H]12 C1CC1[*:1] C[C@@H]1c2nc(N)sc2C[C@]2(C)CC[C@H]([C@H](C)C(=O)N[*:1])[C@H](O)[C@@H]12
C[C@@H]1c2nc(N)sc2C[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@@H]12 C[C@H](C(=O)NC1CC1)[*:1] C[C@@H]1c2nc(N)sc2C[C@]2(C)CC[C@H]([C@H](O)[C@@H]12)[*:1]
Cc1ccc(-c2sc(-c3nc(C(N)=O)c(N)o3)cc2C)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1sc(cc1C)-c1nc(c(N)o1)[*:1]
Cc1ccc(-c2sc(-c3nc(C(N)=O)c(N)o3)cc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(sc1[*:1])-c1nc(C(N)=O)c(N)o1
COc1ccc(-n2nc(C(=O)Oc3c(F)cccc3OC)cc2C)cc1 COc1ccc(cc1)[*:1] COc1cccc(F)c1OC(=O)c1cc(C)n(n1)[*:1]
O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1c(F)cccc1F FC(F)(F)c1ccc(nc1)[*:1] O=C(COC(=O)C1CCN(CC1)[*:1])Nc1c(F)cccc1F
O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(COC(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F)N[*:1]
O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1c(F)cccc1F FC(F)(F)[*:1] O=C(COC(=O)C1CCN(CC1)c1ccc(cn1)[*:1])Nc1c(F)cccc1F
CNC(=O)C1CCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 CNC(=O)[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)N1CCC(CC1)[*:1]
O=C(COC(c1ccccc1)c1ccccc1)NNC(=O)c1cccnc1 c1cncc(c1)[*:1] O=C(COC(c1ccccc1)c1ccccc1)NNC(=O)[*:1]
O=C(COC(c1ccccc1)c1ccccc1)NNC(=O)c1cccnc1 c1ccc(cc1)[*:1] O=C(COC(c1ccccc1)[*:1])NNC(=O)c1cccnc1
O=C(NCCc1cccc(-c2ccsc2)c1)c1csc2c1CCCO2 c1cc(cs1)[*:1] O=C(NCCc1cccc(c1)[*:1])c1csc2OCCCc12
CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CCOCC1 c1ccc(cc1)C[*:1] CN(C[*:1])C(=O)c1nc2sccn2c1CN1CCOCC1
CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CCOCC1 C1CN(CCO1)C[*:1] CN(CCc1ccccc1)C(=O)c1nc2sccn2c1[*:1]
CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CCOCC1 C1CN(CCO1)[*:1] CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[*:1]
CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CCOCC1 c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)c1nc2sccn2c1CN1CCOCC1
CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CN1CCOCC1 c1ccc(cc1)CC[*:1] CN(C(=O)c1nc2sccn2c1CN1CCOCC1)[*:1]
CC[C@H]1CC(=O)N(Cc2ccc(C(N)=O)cc2N)C1 NC(=O)[*:1] CC[C@H]1CC(=O)N(Cc2ccc(cc2N)[*:1])C1
COC(=O)[C@H]1CCC[C@H](C(=O)OC)C1=O COC(=O)[*:1] COC(=O)[C@H]1CCC[C@@H](C1=O)[*:1]
[O-]c1nc(SCCc2ccccc2)c2ncnc-2[nH]1 c1ccc(cc1)[*:1] [O-]c1nc(SCC[*:1])c2ncnc-2[nH]1
CCN(c1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)C)cc1)C(C)C CC(C)[*:1] CCN(c1ccc(cc1)C(=O)N1CSC[C@H]1C(=O)N(C)C)[*:1]
CCN(c1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)C)cc1)C(C)C CN(C)C(=O)[*:1] CCN(c1ccc(cc1)C(=O)N1CSC[C@@H]1[*:1])C(C)C
CCN(c1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)C)cc1)C(C)C CCN(C(C)C)[*:1] CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(cc1)[*:1]
c1cnc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nc1 c1cnc(nc1)[*:1] c1ccc2[nH]c(nc2c1)[C@@H]1CCCN(C1)[*:1]
CC[C@H](C)Sc1ncnc(OC(C)C)c1N CC[C@H](C)S[*:1] CC(C)Oc1ncnc(c1N)[*:1]
CC[C@H](C)Sc1ncnc(OC(C)C)c1N CC[C@H](C)[*:1] CC(C)Oc1ncnc(S[*:1])c1N
CC[C@H](C)Sc1ncnc(OC(C)C)c1N CC(C)[*:1] CC[C@H](C)Sc1ncnc(O[*:1])c1N
CC[C@H](C)Sc1ncnc(OC(C)C)c1N CC(C)O[*:1] CC[C@H](C)Sc1ncnc(c1N)[*:1]
CCc1nn(C)cc1CNC(=O)N1CCCN(C(=O)OCC(C)C)CC1 CC(C)C[*:1] CCc1nn(C)cc1CNC(=O)N1CCCN(CC1)C(=O)O[*:1]
CCc1nn(C)cc1CNC(=O)N1CCCN(C(=O)OCC(C)C)CC1 CCc1nn(C)cc1[*:1] CC(C)COC(=O)N1CCCN(CC1)C(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)N1CCCN(C(=O)OCC(C)C)CC1 CC(C)[*:1] CCc1nn(C)cc1CNC(=O)N1CCCN(CC1)C(=O)OC[*:1]
Cc1cc(C[NH+](CCc2ccccc2)Cc2cc(C)no2)on1 Cc1cc(C[*:1])on1 Cc1cc(C[NH+](CCc2ccccc2)[*:1])on1
Cc1cc(C[NH+](CCc2ccccc2)Cc2cc(C)no2)on1 Cc1cc(on1)[*:1] Cc1cc(C[NH+](CCc2ccccc2)C[*:1])on1
Cc1cc(C[NH+](CCc2ccccc2)Cc2cc(C)no2)on1 c1ccc(cc1)[*:1] Cc1cc(C[NH+](CC[*:1])Cc2cc(C)no2)on1
Cc1cc(C[NH+](CCc2ccccc2)Cc2cc(C)no2)on1 c1ccc(cc1)C[*:1] Cc1cc(C[NH+](Cc2cc(C)no2)C[*:1])on1
O=C(c1cccc(Br)c1)N1CC(c2nc(-c3ccccn3)no2)C1 c1ccc(nc1)[*:1] O=C(c1cccc(Br)c1)N1CC(C1)c1nc(no1)[*:1]
O=C(c1cccc(Br)c1)N1CC(c2nc(-c3ccccn3)no2)C1 Brc1cccc(c1)[*:1] O=C(N1CC(C1)c1nc(no1)-c1ccccn1)[*:1]
Cc1cc(C)n(CCOC(=O)[C@@H](c2ccccc2)C(C)C)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CCOC(=O)[C@@H](C(C)C)[*:1])n1
Cc1cc(C)n(CCOC(=O)[C@@H](c2ccccc2)C(C)C)n1 CC(C)[*:1] Cc1cc(C)n(CCOC(=O)[C@@H](c2ccccc2)[*:1])n1
Cc1cc(C)n(CCOC(=O)[C@@H](c2ccccc2)C(C)C)n1 Cc1cc(C)n(n1)[*:1] CC(C)[C@@H](C(=O)OCC[*:1])c1ccccc1
Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cnc(s1)[*:1]
C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(C(=O)CC(F)(F)F)CC1 NC(=O)[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)[*:1])N1CCN(CC1)C(=O)CC(F)(F)F
C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)C[*:1] C[C@H](C(=O)N1CCC[C@H](C1)C(N)=O)N1CCN(CC1)C(=O)[*:1]
C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)[*:1] C[C@H](C(=O)N1CCC[C@H](C1)C(N)=O)N1CCN(CC1)C(=O)C[*:1]
C[C@H](NC(=O)[C@H]1COc2ccc(F)cc2C1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)[C@H]1COc2ccc(F)cc2C1)[*:1]
CCOc1ccccc1CNC(=O)Cc1nc(-c2ccccn2)n[nH]1 CCO[*:1] O=C(Cc1nc(n[nH]1)-c1ccccn1)NCc1ccccc1[*:1]
CCOc1ccccc1CNC(=O)Cc1nc(-c2ccccn2)n[nH]1 c1ccc(nc1)[*:1] CCOc1ccccc1CNC(=O)Cc1nc(n[nH]1)[*:1]
C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)C1CCCCC1 C1CCC(CC1)[*:1] CC(=NNC(=O)CSc1nc2ccccc2[nH]1)[*:1]
Cc1cc(Br)cnc1S[C@@H](C)CC(=O)[O-] O=C([O-])C[*:1] Cc1cc(Br)cnc1S[C@@H](C)[*:1]
Cc1cc(Br)cnc1S[C@@H](C)CC(=O)[O-] O=C([O-])[*:1] Cc1cc(Br)cnc1S[C@@H](C)C[*:1]
CC(C)n1cnn(C[NH+](CCC(F)(F)F)C2CCCC2)c1=S FC(F)(F)[*:1] CC(C)n1cnn(C[NH+](CC[*:1])C2CCCC2)c1=S
CC(C)n1cnn(C[NH+](CCC(F)(F)F)C2CCCC2)c1=S FC(F)(F)C[*:1] CC(C)n1cnn(C[NH+](C[*:1])C2CCCC2)c1=S
CC(C)n1cnn(C[NH+](CCC(F)(F)F)C2CCCC2)c1=S CC(C)[*:1] FC(F)(F)CC[NH+](Cn1ncn(c1=S)[*:1])C1CCCC1
CC(C)n1cnn(C[NH+](CCC(F)(F)F)C2CCCC2)c1=S FC(F)(F)CC[*:1] CC(C)n1cnn(C[NH+](C2CCCC2)[*:1])c1=S
CC(C)n1cnn(C[NH+](CCC(F)(F)F)C2CCCC2)c1=S C1CCC(C1)[*:1] CC(C)n1cnn(C[NH+](CCC(F)(F)F)[*:1])c1=S
COc1cc(C(=O)Nc2cn(C)nc2-c2ccccc2)ccc1Cl c1ccc(cc1)[*:1] COc1cc(ccc1Cl)C(=O)Nc1cn(C)nc1[*:1]
CCc1nn(C)cc1C(=O)NCC(=O)OC1CCCCC1 C1CCC(CC1)[*:1] CCc1nn(C)cc1C(=O)NCC(=O)O[*:1]
O=C(CSc1cccs1)N[C@H]1CCCCC[C@H]1C(=O)[O-] c1csc(c1)[*:1] O=C(CS[*:1])N[C@H]1CCCCC[C@H]1C(=O)[O-]
O=C(CSc1cccs1)N[C@H]1CCCCC[C@H]1C(=O)[O-] c1csc(c1)S[*:1] O=C(C[*:1])N[C@H]1CCCCC[C@H]1C(=O)[O-]
O=C(CSc1cccs1)N[C@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(CSc1cccs1)N[C@H]1CCCCC[C@@H]1[*:1]
Cc1ccc(/C=C/CC(=O)NCc2ccc(Cn3cncn3)cc2)cc1 c1ncn(C[*:1])n1 Cc1ccc(/C=C/CC(=O)NCc2ccc(cc2)[*:1])cc1
Cc1ccc(/C=C/CC(=O)NCc2ccc(Cn3cncn3)cc2)cc1 c1ncn(n1)[*:1] Cc1ccc(/C=C/CC(=O)NCc2ccc(cc2)C[*:1])cc1
Cc1ccc(/C=C/CC(=O)NCc2ccc(Cn3cncn3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CC=C[*:1])NCc1ccc(cc1)Cn1cncn1
CC(=O)c1ccc(C(=O)CSc2nnc3c4c5c(sc4nc(N)n23)CCCC5)cc1 CC(=O)c1ccc(cc1)[*:1] Nc1nc2sc3CCCCc3c2c2nnc(SCC(=O)[*:1])n12
CC(=O)c1ccc(C(=O)CSc2nnc3c4c5c(sc4nc(N)n23)CCCC5)cc1 CC(=O)[*:1] Nc1nc2sc3CCCCc3c2c2nnc(SCC(=O)c3ccc(cc3)[*:1])n12
Cn1c2c(cc(-c3ccccc3Cl)c1=O)CN(Cc1c[nH]nc1-c1ccccc1)CC2 c1ccc(cc1)[*:1] Cn1c2CCN(Cc3c[nH]nc3[*:1])Cc2cc(-c2ccccc2Cl)c1=O
Cn1c2c(cc(-c3ccccc3Cl)c1=O)CN(Cc1c[nH]nc1-c1ccccc1)CC2 Clc1ccccc1[*:1] Cn1c2CCN(Cc3c[nH]nc3-c3ccccc3)Cc2cc(c1=O)[*:1]
C[NH+](CC(=O)Nc1cccc2nsnc12)CC1CC1 C1CC1[*:1] C[NH+](CC(=O)Nc1cccc2nsnc12)C[*:1]
C[NH+](CC(=O)Nc1cccc2nsnc12)CC1CC1 C1CC1C[*:1] C[NH+](CC(=O)Nc1cccc2nsnc12)[*:1]
COc1ccc(C[C@H]2CCCN2c2ncnc3c2cnn3C)cc1 COc1ccc(cc1)[*:1] Cn1ncc2c(ncnc21)N1CCC[C@@H]1C[*:1]
O=C([O-])c1ccc(SC[C@H]2COc3ccccc32)o1 O=C([O-])[*:1] c1ccc2c(c1)OC[C@@H]2CSc1ccc(o1)[*:1]
COc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCC(=O)N3)cc1 COc1ccc(cc1)[*:1] O=C1COc2cc(ccc2N1)C(=O)N1CCC[C@@H]1[*:1]
COC(=O)C[C@@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc(C(C)C)cc1 COC(=O)[*:1] CC(C)c1ccc(cc1)[C@@H](C[*:1])NC(=O)c1cc[n+]([O-])cc1
COC(=O)C[C@@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc(C(C)C)cc1 CC(C)[*:1] COC(=O)C[C@@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc(cc1)[*:1]
COC(=O)C[C@@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc(C(C)C)cc1 COC(=O)C[*:1] CC(C)c1ccc(cc1)[C@H](NC(=O)c1cc[n+]([O-])cc1)[*:1]
COC(=O)C[C@@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc(C(C)C)cc1 [O-][n+]1ccc(cc1)[*:1] COC(=O)C[C@@H](NC(=O)[*:1])c1ccc(cc1)C(C)C
CSc1nnnn1-c1cccc(NC(=O)NCCC(C)C)c1 CC(C)[*:1] CSc1nnnn1-c1cccc(c1)NC(=O)NCC[*:1]
CSc1nnnn1-c1cccc(NC(=O)NCCC(C)C)c1 CC(C)C[*:1] CSc1nnnn1-c1cccc(c1)NC(=O)NC[*:1]
CSc1nnnn1-c1cccc(NC(=O)NCCC(C)C)c1 CC(C)CC[*:1] CSc1nnnn1-c1cccc(c1)NC(=O)N[*:1]
CSc1nnnn1-c1cccc(NC(=O)NCCC(C)C)c1 CSc1nnnn1[*:1] CC(C)CCNC(=O)Nc1cccc(c1)[*:1]
CC(C)(C)c1ccc(=O)n(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 NC(=O)[*:1] CC(C)(C)c1ccc(=O)n(CC(=O)Nc2sc3CCCc3c2[*:1])n1
CC(C)(C)c1ccc(=O)n(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 CC(C)(C)[*:1] NC(=O)c1c(NC(=O)Cn2nc(ccc2=O)[*:1])sc2CCCc21
Cc1c(NC(=O)[C@@H](C)Cn2nc(-c3ccco3)ccc2=O)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)[C@@H](C)Cn2nc(ccc2=O)-c2ccco2)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)[C@@H](C)Cn2nc(-c3ccco3)ccc2=O)c(=O)n(-c2ccccc2)n1C c1coc(c1)[*:1] Cc1c(NC(=O)[C@@H](C)Cn2nc(ccc2=O)[*:1])c(=O)n(-c2ccccc2)n1C
C[C@H]1CCn2c(nc3cc(C(=O)NCc4cccc(F)c4)ccc32)C1 Fc1cccc(c1)C[*:1] C[C@H]1CCn2c(C1)nc1cc(ccc12)C(=O)N[*:1]
C[C@H]1CCn2c(nc3cc(C(=O)NCc4cccc(F)c4)ccc32)C1 Fc1cccc(c1)[*:1] C[C@H]1CCn2c(C1)nc1cc(ccc12)C(=O)NC[*:1]
O=C(Cn1cnnn1)Nc1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] O=C(Cn1cnnn1)Nc1cccc(F)c1[*:1]
O=C(Cn1cnnn1)Nc1cccc(F)c1C(=O)[O-] c1nnnn1C[*:1] O=C([O-])c1c(F)cccc1NC(=O)[*:1]
O=C(Cn1cnnn1)Nc1cccc(F)c1C(=O)[O-] c1nnnn1[*:1] O=C(C[*:1])Nc1cccc(F)c1C(=O)[O-]
Cc1nn(Cc2ccccc2Cl)c(C)c1CN1C[C@H](CO)OC[C@@H]1C Clc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1CN1C[C@H](CO)OC[C@@H]1C
Cc1nn(Cc2ccccc2Cl)c(C)c1CN1C[C@H](CO)OC[C@@H]1C Clc1ccccc1C[*:1] Cc1nn(c(C)c1CN1C[C@H](CO)OC[C@@H]1C)[*:1]
C[NH+](Cc1ccc(C#N)cc1)Cc1nc(C2CC2)no1 C1CC1[*:1] C[NH+](Cc1ccc(C#N)cc1)Cc1nc(no1)[*:1]
C=C(C)C[C@H]([NH2+]CCC)C(C)(C)[NH+]1CCCCC1 C=C(C)[*:1] CCC[NH2+][C@@H](C[*:1])C(C)(C)[NH+]1CCCCC1
C=C(C)C[C@H]([NH2+]CCC)C(C)(C)[NH+]1CCCCC1 CCC[*:1] C=C(C)C[C@H]([NH2+][*:1])C(C)(C)[NH+]1CCCCC1
C=C(C)C[C@H]([NH2+]CCC)C(C)(C)[NH+]1CCCCC1 C=C(C)C[*:1] CCC[NH2+][C@H](C(C)(C)[NH+]1CCCCC1)[*:1]
Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 O=[N+]([O-])[*:1] Cc1cn2C[C@H](CCc2[nH+]1)NS(=O)(=O)c1ccc(s1)[*:1]
COC(=O)[C@H](N[C@@H](C)c1cc(C)sc1C)c1ccc(F)cc1 COC(=O)[*:1] Cc1cc(c(C)s1)[C@H](C)N[C@H](c1ccc(F)cc1)[*:1]
COC(=O)[C@H](N[C@@H](C)c1cc(C)sc1C)c1ccc(F)cc1 Cc1cc(c(C)s1)[*:1] COC(=O)[C@H](N[C@@H](C)[*:1])c1ccc(F)cc1
COC(=O)[C@H](N[C@@H](C)c1cc(C)sc1C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@H](N[C@@H](C)c1cc(C)sc1C)[*:1]
O=C(NCc1nnc2n1CCC2)N[C@@H]1CCC[C@@H](C2CC2)C1 C1CC1[*:1] O=C(NCc1nnc2CCCn21)N[C@@H]1CCC[C@@H](C1)[*:1]
O=C(NCCNC(=O)C1CC1)Nc1ccccc1N1CCCC1=O O=C(NCC[*:1])C1CC1 O=C(Nc1ccccc1N1CCCC1=O)N[*:1]
O=C(NCCNC(=O)C1CC1)Nc1ccccc1N1CCCC1=O C1CC1[*:1] O=C(NCCNC(=O)[*:1])Nc1ccccc1N1CCCC1=O
O=C(NCCNC(=O)C1CC1)Nc1ccccc1N1CCCC1=O O=C(NC[*:1])C1CC1 O=C(NC[*:1])Nc1ccccc1N1CCCC1=O
O=C(NCCNC(=O)C1CC1)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(NCCNC(=O)C1CC1)Nc1ccccc1[*:1]
O=C(NCCNC(=O)C1CC1)Nc1ccccc1N1CCCC1=O O=C(N[*:1])C1CC1 O=C(NCC[*:1])Nc1ccccc1N1CCCC1=O
COc1nn(C)cc1C(=O)NCC[C@@H](O)c1cccs1 c1csc(c1)[*:1] COc1nn(C)cc1C(=O)NCC[C@@H](O)[*:1]
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 Oc1ccc(cc1)[*:1] CCOC(=O)[C@]1(C)[NH2+][C@@H]([C@H]2C(=O)N(C)C(=O)[C@H]21)[*:1]
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 CCOC(=O)[*:1] CN1C(=O)[C@@H]2[C@@H]([NH2+][C@@](C)([C@@H]2C1=O)[*:1])c1ccc(O)cc1
Cc1ccc(C)c(-c2nnc(NC(=O)COc3ccc(Cl)cc3Cl)o2)c1 Clc1ccc(c(Cl)c1)[*:1] Cc1ccc(C)c(c1)-c1nnc(NC(=O)CO[*:1])o1
Cc1ccc(C)c(-c2nnc(NC(=O)COc3ccc(Cl)cc3Cl)o2)c1 Cc1ccc(C)c(c1)[*:1] O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(o1)[*:1]
O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)CN1CCCC1=O O=C1CCCN1[*:1] O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)C[*:1]
O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)CN1CCCC1=O Clc1ccc(cc1)[*:1] O=C(C[*:1])NC[C@@H](O)CN1CCCC1=O
O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)CN1CCCC1=O O=C1CCCN1C[*:1] O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)[*:1]
O=C(NC[C@@H](O)c1ccsc1)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](O)c1ccsc1)Nc1ccc(cc1)CO[*:1]
O=C(NC[C@@H](O)c1ccsc1)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(NC[C@@H](O)c1ccsc1)Nc1ccc(cc1)C[*:1]
O=C(NC[C@@H](O)c1ccsc1)Nc1ccc(COc2ccccc2)cc1 c1cc(cs1)[*:1] O=C(NC[C@@H](O)[*:1])Nc1ccc(cc1)COc1ccccc1
O=C(NC[C@@H](O)c1ccsc1)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)OC[*:1] O=C(NC[C@@H](O)c1ccsc1)Nc1ccc(cc1)[*:1]
COc1ccc2nnc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2n1 c1ccc(cc1)O[*:1] COc1ccc2nnc(CCC(=O)Nc3ccc(cc3)[*:1])n2n1
COc1ccc2nnc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2n1 c1ccc(cc1)[*:1] COc1ccc2nnc(CCC(=O)Nc3ccc(cc3)O[*:1])n2n1
CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(Cl)c1Cl)CC(=O)N2 Clc1cccc(c1Cl)[*:1] CC[C@@H]1CCCCN1c1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
C[C@@H](Cn1cncn1)NC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 c1ncn(C[*:1])n1 C[C@@H](NC(=O)N1CC=C(CC1)c1ccc(Cl)cc1)[*:1]
C[C@@H](Cn1cncn1)NC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 c1ncn(n1)[*:1] C[C@@H](C[*:1])NC(=O)N1CC=C(CC1)c1ccc(Cl)cc1
C[C@@H](Cn1cncn1)NC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@@H](Cn1cncn1)NC(=O)N1CC=C(CC1)[*:1]
CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCc2nnc3n2CCC3)CC1 CC[C@@H](C)[*:1] O=C(CN1CCN(CC1)C(=O)NCc1nnc2CCCn21)N[*:1]
CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCc2nnc3n2CCC3)CC1 C1Cc2nnc(n2C1)[*:1] CC[C@@H](C)NC(=O)CN1CCN(CC1)C(=O)NC[*:1]
CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCc2nnc3n2CCC3)CC1 CC[C@@H](C)NC(=O)C[*:1] O=C(NCc1nnc2CCCn21)N1CCN(CC1)[*:1]
CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCc2nnc3n2CCC3)CC1 CC[C@@H](C)NC(=O)[*:1] O=C(NCc1nnc2CCCn21)N1CCN(CC1)C[*:1]
COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(NC(=O)N(C)C)c1)CCCO2 CN(C)C(=O)N[*:1] COc1ccc2OCCC[C@H]([NH2+]Cc3cccc(c3)[*:1])c2c1
Cc1cc(CS[C@H](C)C(=O)Nc2ccc(Cl)cc2)no1 Cc1cc(no1)[*:1] C[C@@H](SC[*:1])C(=O)Nc1ccc(Cl)cc1
O=Cc1n[nH]c2ccc(Oc3cccnc3)cc12 c1cncc(c1)[*:1] O=Cc1n[nH]c2ccc(cc12)O[*:1]
c1cc(OCC2CC2)ccc1C[NH2+]C1CC1 C1CC1[*:1] c1cc(ccc1C[NH2+][*:1])OCC1CC1
c1cc(OCC2CC2)ccc1C[NH2+]C1CC1 C1CC1C[*:1] c1cc(ccc1C[NH2+]C1CC1)O[*:1]
c1cc(OCC2CC2)ccc1C[NH2+]C1CC1 C1CC1CO[*:1] c1cc(ccc1C[NH2+]C1CC1)[*:1]
c1cc(OCC2CC2)ccc1C[NH2+]C1CC1 C1CC1[*:1] c1cc(ccc1C[NH2+]C1CC1)OC[*:1]
CC(C)[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 CC(C)[*:1] C[C@@H](NC(=O)[C@@H](c1ccccc1)[*:1])c1cccc(C#N)c1
CC(C)[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)[*:1]
COCC[NH+](C)CC(=O)Nc1cc(C)c(Cl)cc1OC COCC[*:1] COc1cc(Cl)c(C)cc1NC(=O)C[NH+](C)[*:1]
COCC[NH+](C)CC(=O)Nc1cc(C)c(Cl)cc1OC COC[*:1] COc1cc(Cl)c(C)cc1NC(=O)C[NH+](C)C[*:1]
C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C(C)(C)C CC(C)(C)[*:1] C[C@H]([NH2+][C@@H](C)c1ccc2OCOc2c1)C(=O)Nc1ccccc1[*:1]
C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C(C)(C)C c1cc2OCOc2cc1[*:1] C[C@H]([NH2+][C@@H](C)[*:1])C(=O)Nc1ccccc1C(C)(C)C
O=C(Cc1ccc(Br)cc1)N/N=C/C1=c2ccccc2=[NH+]C1 Brc1ccc(cc1)[*:1] O=C(C[*:1])N/N=C/C1C[NH+]=c2ccccc2=1
Cc1nc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc(-n2cccc2)n1 c1ccn(c1)[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)c1ccc(cc1)S(N)(=O)=O
Cc1nc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc(-n2cccc2)n1 NS(=O)(=O)c1ccc(cc1)[*:1] Cc1nc(cc(n1)-n1cccc1)N1CCN(CC1)C(=O)[*:1]
Cc1nc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc(-n2cccc2)n1 NS(=O)(=O)[*:1] Cc1nc(cc(n1)-n1cccc1)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC1(C)C(=O)NCCN1C(=O)c1csc(C#CCO)c1 OCC#C[*:1] CC1(C)C(=O)NCCN1C(=O)c1csc(c1)[*:1]
Cc1ccc(-n2c(SCC(=O)NC3(C#N)CCCC3)nc3sc4c(c3c2=O)CCCC4)cc1 N#CC1(CCCC1)NC(=O)[*:1] Cc1ccc(cc1)-n1c(nc2sc3CCCCc3c2c1=O)SC[*:1]
Cc1ccc(-n2c(SCC(=O)NC3(C#N)CCCC3)nc3sc4c(c3c2=O)CCCC4)cc1 N#CC1(CCCC1)[*:1] Cc1ccc(cc1)-n1c(nc2sc3CCCCc3c2c1=O)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)NC3(C#N)CCCC3)nc3sc4c(c3c2=O)CCCC4)cc1 Cc1ccc(cc1)[*:1] N#CC1(CCCC1)NC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1[*:1]
Cc1ccc(-n2c(SCC(=O)NC3(C#N)CCCC3)nc3sc4c(c3c2=O)CCCC4)cc1 N#CC1(CCCC1)NC(=O)C[*:1] Cc1ccc(cc1)-n1c(nc2sc3CCCCc3c2c1=O)S[*:1]
CCc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1[N+](=O)[O-] c1cnn(c1)C[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)NCc1ccccc1[*:1]
CCc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])C(=O)NCc1ccccc1Cn1cccn1
CCc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1[N+](=O)[O-] c1cnn(c1)[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)NCc1ccccc1C[*:1]
COCCC1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 COC[*:1] Fc1ccc(cc1)[C@H]1CCC[C@@H]1[NH2+]CC1(CC1)C[*:1]
COCCC1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 COCC[*:1] Fc1ccc(cc1)[C@H]1CCC[C@@H]1[NH2+]CC1(CC1)[*:1]
COCCC1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 COCCC1(CC1)[*:1] Fc1ccc(cc1)[C@H]1CCC[C@@H]1[NH2+]C[*:1]
COCCC1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COCCC1(CC1)C[NH2+][C@H]1CCC[C@H]1[*:1]
Cc1cc(OC(C)C)ccc1NC(=O)N(C)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1cc(ccc1NC(=O)N(C)[*:1])OC(C)C
Cc1cc(OC(C)C)ccc1NC(=O)N(C)C[C@H]1CCCO1 CC(C)[*:1] Cc1cc(ccc1NC(=O)N(C)C[C@H]1CCCO1)O[*:1]
Cc1cc(OC(C)C)ccc1NC(=O)N(C)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1cc(ccc1NC(=O)N(C)C[*:1])OC(C)C
Cc1cc(OC(C)C)ccc1NC(=O)N(C)C[C@H]1CCCO1 CC(C)O[*:1] Cc1cc(ccc1NC(=O)N(C)C[C@H]1CCCO1)[*:1]
CC1(C)CCSC[C@@]1(C(N)=O)N1CCC[NH2+]CC1 NC(=O)[*:1] CC1(C)CCSC[C@]1(N1CCC[NH2+]CC1)[*:1]
Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)Cc3ccncc3)C2)n1 c1cc(ccn1)[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)C[*:1])Cc1ccccc1C
Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)Cc3ccncc3)C2)n1 Cc1ccccc1[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)Cc1ccncc1)C[*:1]
Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)Cc3ccncc3)C2)n1 Cc1ccccc1C[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)Cc1ccncc1)[*:1]
Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)Cc3ccncc3)C2)n1 c1cc(ccn1)C[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)[*:1])Cc1ccccc1C
O=C1[NH+]=c2ccccc2=C[C@@H]1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 C1CO[C@@H](C1)[*:1] O=C1[NH+]=c2ccccc2=C[C@@H]1CN(C[*:1])S(=O)(=O)c1ccc(Cl)cc1
O=C1[NH+]=c2ccccc2=C[C@@H]1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1[NH+]=c2ccccc2=C[C@@H]1CN(C[C@@H]1CCCO1)S(=O)(=O)[*:1]
O=C1[NH+]=c2ccccc2=C[C@@H]1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 C1CO[C@@H](C1)C[*:1] O=C1[NH+]=c2ccccc2=C[C@@H]1CN(S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CCCN(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1ccccc1C Cc1ccccc1[*:1] CCCN(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)[*:1]
CCCN(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1ccccc1C Fc1ccc(cc1)[*:1] CCCN(C(=O)Cn1cnc2onc(c2c1=O)[*:1])c1ccccc1C
CCCN(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)c1ccccc1C CCC[*:1] Cc1ccccc1N(C(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)[*:1]
CC[C@@H](C)[C@@H](C)n1nnnc1N CC[C@@H](C)[*:1] C[C@@H](n1nnnc1N)[*:1]
O=C(NCCNC(=O)c1ccc(O)cc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 FC(F)(F)[*:1] O=C(NCCNC(=O)c1ccc(O)cc1)Nc1cc(ccc1-n1cccn1)[*:1]
O=C(NCCNC(=O)c1ccc(O)cc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 c1cnn(c1)[*:1] O=C(NCCNC(=O)c1ccc(O)cc1)Nc1cc(ccc1[*:1])C(F)(F)F
O=C(NCCNC(=O)c1ccc(O)cc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 O=C(N[*:1])c1ccc(O)cc1 O=C(NCC[*:1])Nc1cc(ccc1-n1cccn1)C(F)(F)F
O=C(NCCNC(=O)c1ccc(O)cc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 Oc1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])Nc1cc(ccc1-n1cccn1)C(F)(F)F
CCn1cc(NCc2cc(C(F)(F)F)nn2C)cn1 FC(F)(F)[*:1] CCn1cc(cn1)NCc1cc(nn1C)[*:1]
CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2C)C1 CN(C)C(=O)[*:1] CC[NH+](CC)[C@H]1CCN(C1)C(=O)C(=O)Nc1cc(ccc1C)[*:1]
CCC(=O)Nc1nnc(-c2cc(OC)cc(OC)c2)o1 CCC(=O)N[*:1] COc1cc(cc(c1)-c1nnc(o1)[*:1])OC
Cc1ncc(C(=O)N[C@@H](C)c2ccco2)c(Br)c1Cl c1coc(c1)[*:1] Cc1ncc(C(=O)N[C@@H](C)[*:1])c(Br)c1Cl
COc1ccc(CC2=N[C@@H](c3ccc(NC(=O)c4nc[nH]n4)cc3)OC2=O)cc1 COc1ccc(cc1)[*:1] O=C1O[C@@H](N=C1C[*:1])c1ccc(cc1)NC(=O)c1nc[nH]n1
COc1ccc(CC2=N[C@@H](c3ccc(NC(=O)c4nc[nH]n4)cc3)OC2=O)cc1 O=C(N[*:1])c1nc[nH]n1 COc1ccc(cc1)CC1=N[C@H](OC1=O)c1ccc(cc1)[*:1]
COc1ccc(CC2=N[C@@H](c3ccc(NC(=O)c4nc[nH]n4)cc3)OC2=O)cc1 COc1ccc(cc1)C[*:1] O=C1O[C@@H](N=C1[*:1])c1ccc(cc1)NC(=O)c1nc[nH]n1
CC(=O)c1ccccc1C(=O)N1CCC2(CC1)OC[C@H](C)O2 CC(=O)[*:1] C[C@H]1COC2(CCN(CC2)C(=O)c2ccccc2[*:1])O1
O=S(=O)(NCCn1c(-c2ccncc2)nc2ccccc21)c1ccccc1 c1cc(ccn1)[*:1] O=S(=O)(NCCn1c(nc2ccccc21)[*:1])c1ccccc1
O=S(=O)(NCCn1c(-c2ccncc2)nc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCCn1c(nc2ccccc21)-c1ccncc1)[*:1]
CC(C)[C@H]1N=C(c2ccccc2)OC1=O CC(C)[*:1] O=C1OC(=N[C@@H]1[*:1])c1ccccc1
CCCCc1nc(CC(=O)c2ccccc2)cs1 CCCC[*:1] O=C(Cc1csc(n1)[*:1])c1ccccc1
CCCCc1nc(CC(=O)c2ccccc2)cs1 c1ccc(cc1)[*:1] CCCCc1nc(cs1)CC(=O)[*:1]
CCCCc1nc(CC(=O)c2ccccc2)cs1 CCC[*:1] O=C(Cc1csc(C[*:1])n1)c1ccccc1
CC(C)c1s/c(=N/C(=O)CCC(=O)NC2CCCCCCC2)[nH]c1C(=O)[O-] O=C([O-])[*:1] CC(C)c1s/c(=N/C(=O)CCC(=O)NC2CCCCCCC2)[nH]c1[*:1]
CC(C)c1s/c(=N/C(=O)CCC(=O)NC2CCCCCCC2)[nH]c1C(=O)[O-] CC(C)[*:1] O=C(CCC(=O)NC1CCCCCCC1)/N=c1\[nH]c(C(=O)[O-])c(s1)[*:1]
CC(C)c1s/c(=N/C(=O)CCC(=O)NC2CCCCCCC2)[nH]c1C(=O)[O-] C1CCCC(CCC1)[*:1] CC(C)c1s/c(=N/C(=O)CCC(=O)N[*:1])[nH]c1C(=O)[O-]
CCCn1nc(C)cc1NC(=O)Nc1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)NC(=O)Nc1cc(C)nn1[*:1]
Cc1ccc(NC(=O)NC(=O)CSc2nnc(-c3ccoc3C)n2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1occc1-c1nnc(SCC(=O)NC(=O)N[*:1])n1C
Cc1ccc(NC(=O)NC(=O)CSc2nnc(-c3ccoc3C)n2C)c(C)c1 Cc1occc1[*:1] Cc1ccc(NC(=O)NC(=O)CSc2nnc(n2C)[*:1])c(C)c1
CCS(=O)(=O)N1C[C@H]2CCC[C@](O)(c3cccnc3)[C@@H]2C1 c1cncc(c1)[*:1] CCS(=O)(=O)N1C[C@H]2CCC[C@](O)([C@@H]2C1)[*:1]
CN(CC#N)C(=O)c1ccc([N+](=O)[O-])cc1I N#CC[*:1] CN(C(=O)c1ccc(cc1I)[N+](=O)[O-])[*:1]
CN(CC#N)C(=O)c1ccc([N+](=O)[O-])cc1I O=[N+]([O-])[*:1] CN(CC#N)C(=O)c1ccc(cc1I)[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(CC[NH+](C)C)C3=O Clc1ccc(cc1Cl)[*:1] Cc1ccc2oc3C(=O)N(CC[NH+](C)C)[C@@H](c3c(=O)c2c1)[*:1]
Cc1cnc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)cn1 Cc1cnc(cn1)[*:1] Cc1ccc(s1)-c1csc(n1)NC(=O)[*:1]
Cc1cnc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)cn1 Cc1ccc(s1)[*:1] Cc1cnc(cn1)C(=O)Nc1nc(cs1)[*:1]
COC(=O)CC1(NC(=O)c2ccc(F)c(F)c2F)CC[NH+](C)CC1 COC(=O)[*:1] C[NH+]1CCC(CC1)(C[*:1])NC(=O)c1ccc(F)c(F)c1F
COC(=O)CC1(NC(=O)c2ccc(F)c(F)c2F)CC[NH+](C)CC1 COC(=O)C[*:1] C[NH+]1CCC(CC1)(NC(=O)c1ccc(F)c(F)c1F)[*:1]
Cc1ccc(OCc2noc(C3CC3)n2)c(CC[NH3+])n1 C1CC1[*:1] Cc1ccc(OCc2noc(n2)[*:1])c(CC[NH3+])n1
O=C(NC[C@H](O)c1ccco1)c1ccc(SC(F)F)cc1 O[C@H](c1ccco1)[*:1] O=C(NC[*:1])c1ccc(cc1)SC(F)F
O=C(NC[C@H](O)c1ccco1)c1ccc(SC(F)F)cc1 FC(F)S[*:1] O=C(NC[C@H](O)c1ccco1)c1ccc(cc1)[*:1]
O=C(NC[C@H](O)c1ccco1)c1ccc(SC(F)F)cc1 c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])c1ccc(cc1)SC(F)F
O=C(NC[C@H](O)c1ccco1)c1ccc(SC(F)F)cc1 FC(F)[*:1] O=C(NC[C@H](O)c1ccco1)c1ccc(cc1)S[*:1]
O=C1C[C@H](C(=O)Nc2nccs2)N2C(=N1)Nc1ccccc12 c1csc(n1)[*:1] O=C1C[C@H](C(=O)N[*:1])N2C(=N1)Nc1ccccc12
Cc1nn(C)cc1[C@H](C)NC(=O)NCCc1c[nH]c2cc(F)ccc12 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)NCCc1c[nH]c2cc(F)ccc12)[*:1]
CCCn1cc[nH+]c1C[C@@H](O)c1cnn(CC)c1 CCC[*:1] CCn1cc(cn1)[C@H](O)Cc1[nH+]ccn1[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 Cn1cc(cn1)[*:1] CC[C@H](Cc1ccc(C)cc1)NC(=O)N[C@@H]1CCCN(C1)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)N[C@@H]1CCCN(C1)c1cnn(C)c1
CC[C@H](Cc1ccc(C)cc1)NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 Cc1ccc(cc1)C[*:1] CC[C@H](NC(=O)N[C@@H]1CCCN(C1)c1cnn(C)c1)[*:1]
O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@]2(O)CCCC[C@H]2C1 O=[N+]([O-])[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])N1CC[C@]2(O)CCCC[C@H]2C1
C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4sc5c(c4C(N)=O)CCCC5)no3)ccc2O1 NC(=O)[*:1] C[C@@H]1Cc2cc(ccc2O1)-c1cc(no1)C(=O)Nc1sc2CCCCc2c1[*:1]
O=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)N1CCSCC1 O=C(N1CCSCC1)[*:1] c1cc2ccc(cc2[nH]1)-c1noc(CC[*:1])n1
O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1conc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(OC[C@@H]1CC(=O)N(C1)C1CC1)c1conc1[*:1]
O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1conc1-c1ccc(Cl)cc1 C1CC1[*:1] O=C(OC[C@@H]1CC(=O)N(C1)[*:1])c1conc1-c1ccc(Cl)cc1
CCC(CC)C(=O)N1CCC(NC(=O)N2CCOC[C@@H]2C2CC2)CC1 C1CC1[*:1] CCC(CC)C(=O)N1CCC(CC1)NC(=O)N1CCOC[C@H]1[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)N2CCOC[C@@H]2C2CC2)CC1 CCC(CC)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])N1CCOC[C@@H]1C1CC1
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC2CCC2)C1 C1CC(C1)[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC2CCC2)C1 CC(C)[*:1] O=C(NCC1CCC1)[C@H]1CCCN(C1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC2CCC2)C1 CC(C)C[*:1] O=C(NCC1CCC1)[C@H]1CCCN(C1)C(=O)N[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC2CCC2)C1 C1CC(C1)C[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CNC(=O)CC[NH2+]Cc1cnc2cnc(Br)cn12 CNC(=O)CC[*:1] Brc1cn2c(cnc2cn1)C[NH2+][*:1]
CNC(=O)CC[NH2+]Cc1cnc2cnc(Br)cn12 CNC(=O)C[*:1] Brc1cn2c(cnc2cn1)C[NH2+]C[*:1]
CNC(=O)CC[NH2+]Cc1cnc2cnc(Br)cn12 CNC(=O)[*:1] Brc1cn2c(cnc2cn1)C[NH2+]CC[*:1]
[NH3+][C@@H](CCS[C@@H]1CCO[C@@]2(CCOC2)C1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@@H](CCS[C@@H]1CCO[C@@]2(CCOC2)C1)[*:1]
N#Cc1cnn(C(=O)c2ccnc(OC3CCCCC3)c2)c1N C1CCC(CC1)O[*:1] N#Cc1cnn(C(=O)c2ccnc(c2)[*:1])c1N
N#Cc1cnn(C(=O)c2ccnc(OC3CCCCC3)c2)c1N C1CCC(CC1)[*:1] N#Cc1cnn(C(=O)c2ccnc(c2)O[*:1])c1N
Cn1c(COc2ccccc2)nnc1Sc1c(O)cc(N2CCOCC2)c2ccccc12 c1ccc(cc1)O[*:1] Cn1c(C[*:1])nnc1Sc1c(O)cc(c2ccccc12)N1CCOCC1
Cn1c(COc2ccccc2)nnc1Sc1c(O)cc(N2CCOCC2)c2ccccc12 C1CN(CCO1)[*:1] Cn1c(COc2ccccc2)nnc1Sc1c(O)cc(c2ccccc12)[*:1]
Cn1c(COc2ccccc2)nnc1Sc1c(O)cc(N2CCOCC2)c2ccccc12 c1ccc(cc1)OC[*:1] Cn1c(nnc1[*:1])Sc1c(O)cc(c2ccccc12)N1CCOCC1
Cn1c(COc2ccccc2)nnc1Sc1c(O)cc(N2CCOCC2)c2ccccc12 c1ccc(cc1)[*:1] Cn1c(CO[*:1])nnc1Sc1c(O)cc(c2ccccc12)N1CCOCC1
COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1[*:1]
COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1
Cc1ccc2ncc(C(=O)NCc3ccccc3Cl)c(=O)n2c1 Clc1ccccc1[*:1] Cc1ccc2ncc(C(=O)NC[*:1])c(=O)n2c1
CCOc1ccc(C2=CCN(C(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)CC2)cc1 CCO[*:1] CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)CC2)cc1 CCOc1ccc(cc1)[*:1] CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC=C(CC1)[*:1]
CCOc1ccc(C2=CCN(C(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)CC2)cc1 CC(C)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)[C@@H]([NH2+]C1CCOCC1)[*:1]
O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1Cl FC(F)(F)[*:1] O=C(N[C@]1(NC(=O)N(Cc2ccccc2)C1=O)[*:1])c1ccc(Cl)cc1Cl
O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(N[C@]1(NC(=O)N(C[*:1])C1=O)C(F)(F)F)c1ccc(Cl)cc1Cl
O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C1N[C@](NC(=O)[*:1])(C(=O)N1Cc1ccccc1)C(F)(F)F
O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1Cl c1ccc(cc1)C[*:1] O=C(N[C@]1(NC(=O)N(C1=O)[*:1])C(F)(F)F)c1ccc(Cl)cc1Cl
Cc1nc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(C1CC[NH+](CC1)C[*:1])N1CCCCCC1
Cc1nc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(C1CC[NH+](CC1)[*:1])N1CCCCCC1
Cc1ccc([C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)o1 O=[N+]([O-])[*:1] Cc1ccc(o1)[C@@H](CNC(=O)Nc1ccc(C)c(c1)[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)Nc1ccc(C)c(c1)[N+](=O)[O-])[*:1]
Cc1ccc([C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)o1 Cc1ccc(o1)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)NC[C@@H](N1CCOCC1)[*:1]
N#Cc1c(N)nc2c(c1N)[C@H](C(C#N)C#N)c1ccccc1O2 N#CC(C#N)[*:1] N#Cc1c(N)nc2Oc3ccccc3[C@@H](c2c1N)[*:1]
COc1ccc(C)cc1C[C@]1(C(C)(C)C)CCC[NH2+]1 CC(C)(C)[*:1] COc1ccc(C)cc1C[C@@]1(CCC[NH2+]1)[*:1]
CCc1ccc([C@H](CO)NC(=O)c2ccc(Br)nc2)cc1 Brc1ccc(cn1)[*:1] CCc1ccc(cc1)[C@H](CO)NC(=O)[*:1]
Cc1cc(C(=O)NCc2cc(-c3ccncc3)n(C)n2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NCc1cc(-c2ccncc2)n(C)n1
Cc1cc(C(=O)NCc2cc(-c3ccncc3)n(C)n2)ccc1[N+](=O)[O-] c1cc(ccn1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NCc1cc(n(C)n1)[*:1]
CCCc1cc(NCC[C@H]2CCCOC2)n2nccc2n1 C1COC[C@H](C1)C[*:1] CCCc1cc(NC[*:1])n2nccc2n1
CCCc1cc(NCC[C@H]2CCCOC2)n2nccc2n1 CCC[*:1] c1cc2nc(cc(NCC[C@H]3CCCOC3)n2n1)[*:1]
CCCc1cc(NCC[C@H]2CCCOC2)n2nccc2n1 C1COC[C@H](C1)[*:1] CCCc1cc(NCC[*:1])n2nccc2n1
Cc1cc(OC(F)F)c(C(=O)NNC(=O)CCC(C)C)s1 FC(F)[*:1] Cc1cc(O[*:1])c(s1)C(=O)NNC(=O)CCC(C)C
Cc1cc(OC(F)F)c(C(=O)NNC(=O)CCC(C)C)s1 CC(C)[*:1] Cc1cc(OC(F)F)c(s1)C(=O)NNC(=O)CC[*:1]
Cc1cc(OC(F)F)c(C(=O)NNC(=O)CCC(C)C)s1 FC(F)O[*:1] Cc1cc(c(s1)C(=O)NNC(=O)CCC(C)C)[*:1]
Cc1cc(OC(F)F)c(C(=O)NNC(=O)CCC(C)C)s1 CC(C)CC[*:1] Cc1cc(OC(F)F)c(s1)C(=O)NNC(=O)[*:1]
Cc1cc(OC(F)F)c(C(=O)NNC(=O)CCC(C)C)s1 CC(C)C[*:1] Cc1cc(OC(F)F)c(s1)C(=O)NNC(=O)C[*:1]
COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@H]1[*:1]
COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 COC(=O)[*:1] O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1[C@H]2CCCC[C@H]2C[C@@H]1[*:1]
O=C(CS[C@H]1Nc2ccccc2N1C1CCCCC1)C1=NC=CC1 C1CCC(CC1)[*:1] O=C(CS[C@H]1Nc2ccccc2N1[*:1])C1CC=CN=1
CC(C)n1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C CC(C)[*:1] Cn1c(=O)c2c(nc(CN3CCN(CC3)c3ccccc3F)n2[*:1])n(C)c1=O
CC(C)n1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C Fc1ccccc1[*:1] CC(C)n1c(CN2CCN(CC2)[*:1])nc2c1c(=O)n(C)c(=O)n2C
Cc1ccc(F)c(S(=O)(=O)N[C@@H](C)Cc2cccs2)c1 c1csc(c1)C[*:1] Cc1ccc(F)c(c1)S(=O)(=O)N[C@@H](C)[*:1]
Cc1ccc(F)c(S(=O)(=O)N[C@@H](C)Cc2cccs2)c1 c1csc(c1)[*:1] Cc1ccc(F)c(c1)S(=O)(=O)N[C@@H](C)C[*:1]
C[C@@H](Sc1ncn[nH]1)C(=O)Nc1ccc(F)cc1 c1n[nH]c(n1)S[*:1] C[C@@H](C(=O)Nc1ccc(F)cc1)[*:1]
C[C@@H](Sc1ncn[nH]1)C(=O)Nc1ccc(F)cc1 c1n[nH]c(n1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(F)cc1
O=C(c1cccc(F)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 Fc1cccc(c1)[*:1] O=C(N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1)[*:1]
O=C(c1cccc(F)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 C1CCC(C1)[*:1] O=C(c1cccc(F)c1)N(Cc1nc2ccccc2c(=O)[nH]1)[*:1]
COc1ccc(F)c(NC(=O)CSc2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1ccc(F)c(c1)NC(=O)CS[*:1]
O=C([O-])COc1cc(-c2ccccc2)nc(Nc2ccccc2Br)n1 Brc1ccccc1[*:1] O=C([O-])COc1cc(nc(n1)N[*:1])-c1ccccc1
O=C([O-])COc1cc(-c2ccccc2)nc(Nc2ccccc2Br)n1 O=C([O-])[*:1] Brc1ccccc1Nc1nc(cc(n1)-c1ccccc1)OC[*:1]
O=C([O-])COc1cc(-c2ccccc2)nc(Nc2ccccc2Br)n1 O=C([O-])CO[*:1] Brc1ccccc1Nc1nc(cc(n1)[*:1])-c1ccccc1
O=C([O-])COc1cc(-c2ccccc2)nc(Nc2ccccc2Br)n1 O=C([O-])C[*:1] Brc1ccccc1Nc1nc(cc(n1)-c1ccccc1)O[*:1]
O=C([O-])COc1cc(-c2ccccc2)nc(Nc2ccccc2Br)n1 c1ccc(cc1)[*:1] O=C([O-])COc1cc(nc(n1)Nc1ccccc1Br)[*:1]
O=C([O-])COc1cc(-c2ccccc2)nc(Nc2ccccc2Br)n1 Brc1ccccc1N[*:1] O=C([O-])COc1cc(nc(n1)[*:1])-c1ccccc1
N=C1NC(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1 FC(F)(F)[*:1] N=C1NC(=O)/C(=C\c2ccc(o2)-c2cccc(c2)[*:1])S1
COC([O-])=C([C@@H](SC(C)=O)c1cn(C(C)=O)c2ccccc12)[N+](=O)[O-] O=[N+]([O-])[*:1] COC([O-])=C([C@@H](SC(C)=O)c1cn(C(C)=O)c2ccccc12)[*:1]
COC([O-])=C([C@@H](SC(C)=O)c1cn(C(C)=O)c2ccccc12)[N+](=O)[O-] CC(=O)S[*:1] COC([O-])=C([C@@H](c1cn(C(C)=O)c2ccccc12)[*:1])[N+](=O)[O-]
COC(=O)c1sccc1NC(=O)c1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] COC(=O)c1sccc1NC(=O)c1cccc(c1)[*:1]
COC(=O)c1sccc1NC(=O)c1cccc(-n2cccc2)c1 COC(=O)[*:1] O=C(Nc1ccsc1[*:1])c1cccc(c1)-n1cccc1
Cc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C(=O)C3=O)CC2)cc1F Fc1ccc(cc1)C[*:1] Cc1ccc(cc1F)NC(=O)N1CCC(CC1)N1CCN(C(=O)C1=O)[*:1]
Cc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C(=O)C3=O)CC2)cc1F Cc1ccc(cc1F)[*:1] O=C(N[*:1])N1CCC(CC1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O
Cc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C(=O)C3=O)CC2)cc1F Fc1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)N1CCC(CC1)N1CCN(C[*:1])C(=O)C1=O
COc1ccc(-c2[nH]ncc2CNC(=O)c2cccc(N3CCOCC3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(cccc1N1CCOCC1)C(=O)NCc1cn[nH]c1[*:1]
COc1ccc(-c2[nH]ncc2CNC(=O)c2cccc(N3CCOCC3)c2C)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)-c1[nH]ncc1CNC(=O)c1cccc(c1C)[*:1]
NC(=O)NCc1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1 NC(=O)N[*:1] O=C(OCc1ccc(cc1)C(F)(F)F)c1ccc(cc1)C[*:1]
NC(=O)NCc1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] NC(=O)NCc1ccc(cc1)C(=O)OCc1ccc(cc1)[*:1]
NC(=O)NCc1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1 NC(=O)NC[*:1] O=C(OCc1ccc(cc1)C(F)(F)F)c1ccc(cc1)[*:1]
Cc1sc2nc(CS[C@@H](C)C(=O)NCc3cccc(Cl)c3)[nH]c(=O)c2c1C Clc1cccc(c1)C[*:1] Cc1sc2nc(CS[C@@H](C)C(=O)N[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CS[C@@H](C)C(=O)NCc3cccc(Cl)c3)[nH]c(=O)c2c1C Clc1cccc(c1)[*:1] Cc1sc2nc(CS[C@@H](C)C(=O)NC[*:1])[nH]c(=O)c2c1C
CCCN1CCO[C@@H](C(=O)[C@@H](C)CC)C1 CC[C@H](C)[*:1] CCCN1CCO[C@H](C1)C(=O)[*:1]
CCCN1CCO[C@@H](C(=O)[C@@H](C)CC)C1 CCC[*:1] CC[C@H](C)C(=O)[C@H]1CN(CCO1)[*:1]
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccccc1C Cc1ccccc1[*:1] COc1ccc2c(C(=O)O[C@H]2NNC(=O)[*:1])c1OC
Cn1cnn(-c2ccc(NC(=O)NCC(=O)NC(C)(C)C)cc2)c1=O CC(C)(C)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)NCC(=O)N[*:1])c1=O
Cn1cnn(-c2ccc(NC(=O)NCC(=O)NC(C)(C)C)cc2)c1=O Cn1cnn(c1=O)[*:1] CC(C)(C)NC(=O)CNC(=O)Nc1ccc(cc1)[*:1]
Cn1cnn(-c2ccc(NC(=O)NCC(=O)NC(C)(C)C)cc2)c1=O CC(C)(C)NC(=O)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)NC[*:1])c1=O
Cn1cnn(-c2ccc(NC(=O)NCC(=O)NC(C)(C)C)cc2)c1=O CC(C)(C)NC(=O)C[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)N[*:1])c1=O
C[NH+](C)C1(CNC(=O)CS(=O)(=O)C2CCCC2)CCOCC1 C1CCC(C1)[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)CS(=O)(=O)[*:1]
CC[C@H]1CCC[C@H](NC(=O)NNc2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)NN[*:1]
CC[C@H](NCCc1nc(C)no1)c1ccc(Br)cc1 Cc1noc(n1)[*:1] CC[C@H](NCC[*:1])c1ccc(Br)cc1
C[NH+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[NH+](CC(=O)Nc1ccc2OC3(CCCCC3)Oc2c1)[*:1]
C[NH+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1ccc2OC3(CCCCC3)Oc2c1)C[*:1]
CC[C@H](C)C[C@H](CCl)c1ccccc1C CC[C@H](C)C[*:1] Cc1ccccc1[C@@H](CCl)[*:1]
CC[C@H](C)C[C@H](CCl)c1ccccc1C CC[C@H](C)[*:1] Cc1ccccc1[C@@H](CCl)C[*:1]
C[C@@H]1CN(C(=O)NCc2cccs2)C[C@@H](C)S1 c1csc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)NC[*:1]
Cc1nc(CCNC(=O)Nc2ccc(COC(C)(C)C)cc2)cs1 Cc1nc(cs1)[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)NCC[*:1]
Cc1nc(CCNC(=O)Nc2ccc(COC(C)(C)C)cc2)cs1 CC(C)(C)OC[*:1] Cc1nc(cs1)CCNC(=O)Nc1ccc(cc1)[*:1]
Cc1nc(CCNC(=O)Nc2ccc(COC(C)(C)C)cc2)cs1 Cc1nc(cs1)CC[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)N[*:1]
Cc1nc(CCNC(=O)Nc2ccc(COC(C)(C)C)cc2)cs1 CC(C)(C)O[*:1] Cc1nc(cs1)CCNC(=O)Nc1ccc(cc1)C[*:1]
Cc1nc(CCNC(=O)Nc2ccc(COC(C)(C)C)cc2)cs1 Cc1nc(cs1)C[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)NC[*:1]
Cc1nc(CCNC(=O)Nc2ccc(COC(C)(C)C)cc2)cs1 CC(C)(C)[*:1] Cc1nc(cs1)CCNC(=O)Nc1ccc(cc1)CO[*:1]
CC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1C)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1C)[*:1]
CC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1C)C1CC1 CC(C)[*:1] Cn1c(nc2ccccc2c1=O)SCC(=O)N(C[*:1])C1CC1
CC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1C)C1CC1 CC(C)C[*:1] Cn1c(nc2ccccc2c1=O)SCC(=O)N(C1CC1)[*:1]
C[C@H](C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)c1ccsc1 CC(C)(C)OC(=O)N[*:1] C[C@H](C(=O)Nc1ccc(F)c(c1)[*:1])c1ccsc1
C[C@H](C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)Nc1ccc(F)c(c1)NC(=O)OC(C)(C)C)[*:1]
C[C@H](C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)c1ccsc1 CC(C)(C)[*:1] C[C@H](C(=O)Nc1ccc(F)c(c1)NC(=O)O[*:1])c1ccsc1
CC[C@H](CSC)NC(=O)NC[C@H]1C[C@@H]1c1ccccc1 CSC[*:1] CC[C@H](NC(=O)NC[C@H]1C[C@@H]1c1ccccc1)[*:1]
CC[C@H](CSC)NC(=O)NC[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CSC)NC(=O)NC[C@H]1C[C@H]1[*:1]
CC[C@H](CSC)NC(=O)NC[C@H]1C[C@@H]1c1ccccc1 CC[C@H](CSC)[*:1] O=C(NC[C@H]1C[C@@H]1c1ccccc1)N[*:1]
CCC(=O)[C@@H](C)CCC1CC1 C1CC1[*:1] CCC(=O)[C@@H](C)CC[*:1]
CC(C)Cc1nnc(NC(=O)Cn2cc(Br)ccc2=O)s1 CC(C)C[*:1] O=C(Cn1cc(Br)ccc1=O)Nc1nnc(s1)[*:1]
CC(C)Cc1nnc(NC(=O)Cn2cc(Br)ccc2=O)s1 CC(C)[*:1] O=C(Cn1cc(Br)ccc1=O)Nc1nnc(C[*:1])s1
COc1ccc(CNc2nc(C[NH+]3CCCCC3)nc3sc4c(c23)CCC4)cc1OC COc1ccc(cc1OC)[*:1] C1CC[NH+](CC1)Cc1nc(NC[*:1])c2c3CCCc3sc2n1
Cc1c(C[NH+](C)Cc2cccn2-c2ccc(Cl)cn2)cnn1C Clc1ccc(nc1)[*:1] Cc1c(cnn1C)C[NH+](C)Cc1cccn1[*:1]
Cc1c(C[NH+](C)Cc2cccn2-c2ccc(Cl)cn2)cnn1C Cc1c(cnn1C)[*:1] C[NH+](Cc1cccn1-c1ccc(Cl)cn1)C[*:1]
COc1cccc2c1OC[C@H](Cc1ccc(C(=O)N(C)C)cc1)C2 CN(C)C(=O)[*:1] COc1cccc2C[C@H](COc21)Cc1ccc(cc1)[*:1]
COCCN1C(=O)C(=O)/C(=C(\C)Nc2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 Cc1ccc(cc1)[*:1] COCCN1C(=O)C(=O)/C(=C(\C)N[*:1])[C@H]1c1ccc(Cl)cc1
COCCN1C(=O)C(=O)/C(=C(\C)Nc2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 COC[*:1] C/C(Nc1ccc(C)cc1)=C1\C(=O)C(=O)N(C[*:1])[C@@H]1c1ccc(Cl)cc1
COCCN1C(=O)C(=O)/C(=C(\C)Nc2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 Cc1ccc(cc1)N[*:1] COCCN1C(=O)C(=O)C(=C(C)[*:1])[C@H]1c1ccc(Cl)cc1
COCCN1C(=O)C(=O)/C(=C(\C)Nc2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 COCC[*:1] C/C(Nc1ccc(C)cc1)=C1\C(=O)C(=O)N([C@@H]1c1ccc(Cl)cc1)[*:1]
COCCN1C(=O)C(=O)/C(=C(\C)Nc2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCN1C(=O)C(=O)/C(=C(\C)Nc2ccc(C)cc2)[C@@H]1[*:1]
CC(C)CN(C(=O)Cn1nc(-c2ccccc2F)ccc1=O)C1CC1 Fc1ccccc1[*:1] CC(C)CN(C(=O)Cn1nc(ccc1=O)[*:1])C1CC1
CC(C)CN(C(=O)Cn1nc(-c2ccccc2F)ccc1=O)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)Cn1nc(ccc1=O)-c1ccccc1F)[*:1]
CC(C)CN(C(=O)Cn1nc(-c2ccccc2F)ccc1=O)C1CC1 CC(C)C[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1F)N(C1CC1)[*:1]
CC(C)CN(C(=O)Cn1nc(-c2ccccc2F)ccc1=O)C1CC1 CC(C)[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1F)N(C[*:1])C1CC1
N#Cc1ccc(Nc2ccc(OCC3CCOCC3)cc2)nc1 C1CC(CCO1)C[*:1] N#Cc1ccc(nc1)Nc1ccc(cc1)O[*:1]
N#Cc1ccc(Nc2ccc(OCC3CCOCC3)cc2)nc1 C1CC(CCO1)[*:1] N#Cc1ccc(nc1)Nc1ccc(cc1)OC[*:1]
COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cc(Cl)ccc1C(=O)NNC(=O)[C@H]1C[C@@H]1[*:1]
C[NH+](CCNC(=O)c1ccc(C[NH3+])o1)C1CCCC1 C1CCC(C1)[*:1] C[NH+](CCNC(=O)c1ccc(C[NH3+])o1)[*:1]
O=C(Cn1nc(-c2ccccc2F)ccc1=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1F)[*:1]
O=C(Cn1nc(-c2ccccc2F)ccc1=O)c1ccc(Cl)s1 Fc1ccccc1[*:1] O=C(Cn1nc(ccc1=O)[*:1])c1ccc(Cl)s1
CCN(Cc1ccccc1C)C(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 Cc1ccccc1C[*:1] CCN(C(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1)[*:1]
CCN(Cc1ccccc1C)C(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 Cc1ccccc1[*:1] CCN(C[*:1])C(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1
CCN(Cc1ccccc1C)C(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 C1CN(CCO1)[*:1] CCN(Cc1ccccc1C)C(=O)NC[C@@H]([C@H]1CCOC1)[*:1]
CCOc1ccccc1OCC(=O)Oc1ccc2ccc(=O)oc2c1 CCO[*:1] O=C(COc1ccccc1[*:1])Oc1ccc2ccc(=O)oc2c1
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)Cc1ccc(C#N)cc1 N#Cc1ccc(cc1)C[*:1] C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)[*:1]
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)Cc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)C[*:1]
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)Cc1ccc(C#N)cc1 c1ccc2oc(cc2c1)[*:1] C[C@@H](N(C)C(=O)CN(C)Cc1ccc(C#N)cc1)[*:1]
O=C1NCC(=O)N2CCN(C(=O)c3csc4nc(-c5ccccc5)cn34)C[C@H]12 c1ccc(cc1)[*:1] O=C1NCC(=O)N2CCN(C[C@H]12)C(=O)c1csc2nc(cn12)[*:1]
O=C([O-])[C@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 O=C([O-])[*:1] O=C(c1c[nH]c2ccccc12)N1CCC[C@@H](C1)[*:1]
C[C@@H](COc1ccc(F)c(F)c1)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O Fc1ccc(cc1F)[*:1] C[C@@H](CO[*:1])[NH2+][C@H]1CCN(CC(F)(F)F)C1=O
C[C@@H](COc1ccc(F)c(F)c1)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] C[C@@H](COc1ccc(F)c(F)c1)[NH2+][C@H]1CCN(C1=O)[*:1]
C[C@@H](COc1ccc(F)c(F)c1)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] C[C@@H](COc1ccc(F)c(F)c1)[NH2+][C@H]1CCN(C[*:1])C1=O
CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1 CCOc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc2ccccc2c1
CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1 CCO[*:1] O=C(CSc1nnc(o1)-c1ccc(cc1)[*:1])Nc1ccc2ccccc2c1
O=C(CCCOc1ccccc1)Nc1ccc(I)cc1 c1ccc(cc1)[*:1] O=C(CCCO[*:1])Nc1ccc(I)cc1
Cc1c(C(=O)N2CCC(O)CC2)cnn1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC(O)CC1
CC(=O)N(C)c1ccc(OC(=O)c2cnc3ccc(C)cn23)cc1 CC(=O)N(C)[*:1] Cc1ccc2ncc(C(=O)Oc3ccc(cc3)[*:1])n2c1
O=C1NC2(CCCCC2)C(=O)N1CC(=O)N1CCC[C@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C1NC2(CCCCC2)C(=O)N1CC(=O)N1CCC[C@@H]1[*:1]
O=C(N1CCN(c2cccc(O)c2)CC1)C1(O)CCCC1 OC1(CCCC1)[*:1] O=C(N1CCN(CC1)c1cccc(O)c1)[*:1]
O=C(N1CCN(c2cccc(O)c2)CC1)C1(O)CCCC1 Oc1cccc(c1)[*:1] O=C(N1CCN(CC1)[*:1])C1(O)CCCC1
C[C@@](O)(Cc1ccccc1)[C@@H]1CCOC2(CCC2)C1 c1ccc(cc1)[*:1] C[C@@](O)(C[*:1])[C@@H]1CCOC2(CCC2)C1
O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Cl)c2c(c1)OCCCO2 c1ncn(n1)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1cc(Cl)c2OCCCOc2c1
COc1ccccc1CCNC(=O)c1nc(-c2ccco2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] COc1ccccc1CCNC(=O)c1nc(cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccccc1CCNC(=O)c1nc(-c2ccco2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 COc1ccccc1CC[*:1] Cc1nc2c(nc(cc2n1[C@@H]1CCS(=O)(=O)C1)-c1ccco1)C(=O)N[*:1]
COc1ccccc1CCNC(=O)c1nc(-c2ccco2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 COc1ccccc1[*:1] Cc1nc2c(nc(cc2n1[C@@H]1CCS(=O)(=O)C1)-c1ccco1)C(=O)NCC[*:1]
COc1ccccc1CCNC(=O)c1nc(-c2ccco2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 COc1ccccc1C[*:1] Cc1nc2c(nc(cc2n1[C@@H]1CCS(=O)(=O)C1)-c1ccco1)C(=O)NC[*:1]
CN(CC(=O)NCCN1CCOCC1)c1nnc(N2CCCC2=O)s1 C1CN(CCO1)CC[*:1] CN(CC(=O)N[*:1])c1nnc(s1)N1CCCC1=O
CN(CC(=O)NCCN1CCOCC1)c1nnc(N2CCCC2=O)s1 C1CN(CCO1)C[*:1] CN(CC(=O)NC[*:1])c1nnc(s1)N1CCCC1=O
CN(CC(=O)NCCN1CCOCC1)c1nnc(N2CCCC2=O)s1 C1CN(CCO1)[*:1] CN(CC(=O)NCC[*:1])c1nnc(s1)N1CCCC1=O
CN(CC(=O)NCCN1CCOCC1)c1nnc(N2CCCC2=O)s1 O=C1CCCN1[*:1] CN(CC(=O)NCCN1CCOCC1)c1nnc(s1)[*:1]
CC[NH2+][C@@H](c1cscc1Br)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[NH2+][C@@H](c1cscc1Br)[*:1]
CS(=O)(=O)N1CCC[C@@H](Nc2cc(-c3ccccc3)nc3ncnn23)C1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCC[C@H](C1)Nc1cc(nc2ncnn12)[*:1]
CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3nccnc3N)cc2Cl)c1 CS(=O)(=O)[*:1] Nc1nccnc1C(=O)Nc1ccc(NC(=O)c2cccc(c2)[*:1])c(Cl)c1
CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3nccnc3N)cc2Cl)c1 Nc1nccnc1C(=O)N[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1Cl)[*:1]
CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3nccnc3N)cc2Cl)c1 CS(=O)(=O)c1cccc(c1)[*:1] Nc1nccnc1C(=O)Nc1ccc(NC(=O)[*:1])c(Cl)c1
CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3nccnc3N)cc2Cl)c1 Nc1nccnc1[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1Cl)NC(=O)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)OCC2(C)C)cc1 CNS(=O)(=O)[*:1] C[C@@H]1CN(C(=O)c2ccc(cc2)[*:1])C(C)(C)CO1
CCC(CC)(C[NH3+])Nc1cc(C)c([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CCC(CC)(C[NH3+])Nc1cc(C)c(cn1)[*:1]
CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCc1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCC[*:1]
Cc1cc(C)c2nc(N(CC[NH+](C)C)C(=O)c3cccc(F)c3)sc2c1 Fc1cccc(c1)[*:1] Cc1cc(C)c2nc(sc2c1)N(CC[NH+](C)C)C(=O)[*:1]
CCc1noc([C@@H](C)Sc2nnc(-c3cccnc3)n2C)n1 c1cncc(c1)[*:1] CCc1noc(n1)[C@@H](C)Sc1nnc(n1C)[*:1]
CCc1noc([C@@H](C)Sc2nnc(-c3cccnc3)n2C)n1 CCc1noc(n1)[*:1] C[C@@H](Sc1nnc(-c2cccnc2)n1C)[*:1]
COc1ccc(N2C[C@H](C(=O)Nc3ccc4c5c(c(=O)[nH]c4c3)CCCC5)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2c3CCCCc3c(=O)[nH]c2c1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(COC(=O)c1cc(F)ccc1Cl)NCc1ccc(F)cc1F Fc1ccc(Cl)c(c1)[*:1] O=C(COC(=O)[*:1])NCc1ccc(F)cc1F
O=C(COC(=O)c1cc(F)ccc1Cl)NCc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(COC(=O)c1cc(F)ccc1Cl)NC[*:1]
CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@H]2c1cccs1 CCOC(=O)[*:1] O=C1C[C@H](C2C(=O)[C@@H]([C@@H](CC=2N1)c1cccs1)[*:1])c1cccs1
CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@H]2c1cccs1 c1csc(c1)[*:1] CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1[*:1])NC(=O)C[C@H]2c1cccs1
CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@H]2c1cccs1 c1csc(c1)[*:1] CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@@H]2[*:1]
CC(C)(C(=O)[O-])n1cccc1 O=C([O-])[*:1] CC(C)(n1cccc1)[*:1]
COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1F O=[N+]([O-])[*:1] COc1cc(ccc1F)C(=O)Nc1cc(ccc1O)[*:1]
C#CCOc1ccc(C[NH2+]Cc2ccco2)cc1OC C#CC[*:1] COc1cc(ccc1O[*:1])C[NH2+]Cc1ccco1
C#CCOc1ccc(C[NH2+]Cc2ccco2)cc1OC c1coc(c1)C[*:1] C#CCOc1ccc(cc1OC)C[NH2+][*:1]
C#CCOc1ccc(C[NH2+]Cc2ccco2)cc1OC C#CCO[*:1] COc1cc(ccc1[*:1])C[NH2+]Cc1ccco1
C#CCOc1ccc(C[NH2+]Cc2ccco2)cc1OC c1coc(c1)[*:1] C#CCOc1ccc(cc1OC)C[NH2+]C[*:1]
C[NH+](C)[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)C1CC1 NC(=O)[*:1] C[NH+](C)[C@@H](CNC(=O)C1C[C@H](N(N=1)c1ccccc1)[*:1])C1CC1
C[NH+](C)[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)C1CC1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)C1C[C@H](C(N)=O)N(N=1)[*:1])C1CC1
C[NH+](C)[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)C1CC1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)C1C[C@H](C(N)=O)N(N=1)c1ccccc1)[*:1]
CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 C1CCC(CC1)[*:1] CCCC(=O)N1CCCC[C@@H]1c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 CCC[*:1] O=C(C1CCCCC1)N1CCc2nc([nH]c(=O)c2C1)[C@H]1CCCCN1C(=O)[*:1]
COc1ccccc1-c1ccccc1C[C@@H]1C(=O)N(C)CCN1C(=O)CCn1nccc1C Cc1ccnn1CC[*:1] COc1ccccc1-c1ccccc1C[C@@H]1C(=O)N(C)CCN1C(=O)[*:1]
COc1ccccc1-c1ccccc1C[C@@H]1C(=O)N(C)CCN1C(=O)CCn1nccc1C Cc1ccnn1C[*:1] COc1ccccc1-c1ccccc1C[C@@H]1C(=O)N(C)CCN1C(=O)C[*:1]
COc1ccccc1-c1ccccc1C[C@@H]1C(=O)N(C)CCN1C(=O)CCn1nccc1C COc1ccccc1[*:1] Cc1ccnn1CCC(=O)N1CCN(C)C(=O)[C@H]1Cc1ccccc1[*:1]
COc1ccccc1-c1ccccc1C[C@@H]1C(=O)N(C)CCN1C(=O)CCn1nccc1C Cc1ccnn1[*:1] COc1ccccc1-c1ccccc1C[C@@H]1C(=O)N(C)CCN1C(=O)CC[*:1]
CCc1ccccc1NC(=O)[C@@H]1N=C(C)C(C(C)=O)=C1C CC(=O)[*:1] CCc1ccccc1NC(=O)[C@@H]1N=C(C)C(=C1C)[*:1]
CCOC(=O)[C@]1([NH3+])CCC[C@H]1CCn1cncn1 CCOC(=O)[*:1] [NH3+][C@@]1(CCC[C@H]1CCn1cncn1)[*:1]
CCOC(=O)[C@]1([NH3+])CCC[C@H]1CCn1cncn1 c1ncn(n1)[*:1] CCOC(=O)[C@]1([NH3+])CCC[C@H]1CC[*:1]
CCOC(=O)[C@]1([NH3+])CCC[C@H]1CCn1cncn1 c1ncn(C[*:1])n1 CCOC(=O)[C@]1([NH3+])CCC[C@H]1C[*:1]
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] C=CCSc1nc(=O)c2c(NC(=O)C[C@H]2[*:1])n1C
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(C)cc1C C=CC[*:1] Cc1ccc(c(C)c1)[C@H]1CC(=O)Nc2c1c(=O)nc(S[*:1])n2C
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(C)cc1C C=CCS[*:1] Cc1ccc(c(C)c1)[C@H]1CC(=O)Nc2c1c(=O)nc(n2C)[*:1]
CCOC(=O)C(C)(C)NS(=O)(=O)c1cccc(F)c1 CCOC(=O)[*:1] CC(C)(NS(=O)(=O)c1cccc(F)c1)[*:1]
COc1ccc(NC(=O)[C@@]2(c3ccccc3)CC2(Cl)Cl)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)[C@]2(CC2(Cl)Cl)[*:1])c(c1)OC
COc1ccc(N2C[C@H](NC(=O)Nc3ccccc3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1)N[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@H](NC(=O)Nc3ccccc3)CC2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)NC(=O)N[*:1]
COc1ccc2cc(C(=O)N(C)[C@H](C)c3cc(F)ccc3F)[nH]c2c1 Fc1ccc(F)c(c1)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N(C)[C@H](C)[*:1]
C#CCN1CCN(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 C#CC[*:1] O=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)c(Br)c1 Clc1cccc(c1)[*:1] Cc1ccc(NC(=O)c2ccn(n2)[*:1])c(Br)c1
c1ccc([C@@H]2NN[C@@H](SCc3nc4ccccc4[nH]3)N2Cc2ccco2)cc1 c1ccc(cc1)[*:1] c1coc(c1)CN1[C@@H](NN[C@H]1[*:1])SCc1nc2ccccc2[nH]1
c1ccc([C@@H]2NN[C@@H](SCc3nc4ccccc4[nH]3)N2Cc2ccco2)cc1 c1coc(c1)C[*:1] c1ccc(cc1)[C@@H]1NN[C@@H](SCc2nc3ccccc3[nH]2)N1[*:1]
c1ccc([C@@H]2NN[C@@H](SCc3nc4ccccc4[nH]3)N2Cc2ccco2)cc1 c1ccc2[nH]c(nc2c1)[*:1] c1ccc(cc1)[C@@H]1NN[C@@H](SC[*:1])N1Cc1ccco1
c1ccc([C@@H]2NN[C@@H](SCc3nc4ccccc4[nH]3)N2Cc2ccco2)cc1 c1coc(c1)[*:1] c1ccc(cc1)[C@@H]1NN[C@@H](SCc2nc3ccccc3[nH]2)N1C[*:1]
Cc1cccc([C@H](C)[S@@](=O)Cc2sccc2Br)c1 Brc1ccsc1[*:1] Cc1cccc(c1)[C@H](C)[S@@](=O)C[*:1]
C[C@@H]1OCC[C@H]1c1nc2cc(C[NH3+])ccc2n1C1CC1 C1CC1[*:1] C[C@@H]1OCC[C@H]1c1nc2cc(ccc2n1[*:1])C[NH3+]
CC(C)[NH2+]Cc1cccn1C[C@H]1CSc2ccccc21 CC(C)[*:1] c1ccc2c(c1)SC[C@@H]2Cn1cccc1C[NH2+][*:1]
CCOC(=O)C(C)(C)NC(=O)c1cc(Br)cn1C CCOC(=O)[*:1] Cn1cc(Br)cc1C(=O)NC(C)(C)[*:1]
Cc1ccc(CN(C)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)C[*:1])C2=O
Cc1ccc(CN(C)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 Cc1ccc(cc1)C[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)[*:1])C2=O
Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)COc2ccccc2F)C3)c1 Fc1ccccc1OC[*:1] Cc1cccc(c1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)COc2ccccc2F)C3)c1 Fc1ccccc1[*:1] Cc1cccc(c1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)CO[*:1]
Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)COc2ccccc2F)C3)c1 Cc1cccc(c1)[*:1] O=C(COc1ccccc1F)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)COc2ccccc2F)C3)c1 c1ccn(c1)[*:1] Cc1cccc(c1)-n1nc2CN(Cc2c1[*:1])C(=O)COc1ccccc1F
Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)COc2ccccc2F)C3)c1 Fc1ccccc1O[*:1] Cc1cccc(c1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)C[*:1]
Cc1ccc(-c2nc(C[NH+](C)CC(=O)NC(C)C)co2)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)-c1nc(co1)C[NH+](C)C[*:1]
Cc1ccc(-c2nc(C[NH+](C)CC(=O)NC(C)C)co2)cc1 CC(C)NC(=O)C[*:1] Cc1ccc(cc1)-c1nc(co1)C[NH+](C)[*:1]
Cc1ccc(-c2nc(C[NH+](C)CC(=O)NC(C)C)co2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1nc(co1)C[NH+](C)CC(=O)N[*:1]
Cc1ccc(-c2nc(C[NH+](C)CC(=O)NC(C)C)co2)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)C[NH+](C)Cc1coc(n1)[*:1]
COc1cc(NC(=O)c2[nH]nc(C3CC3)c2Cl)c(OC)cc1Cl C1CC1[*:1] COc1cc(NC(=O)c2[nH]nc(c2Cl)[*:1])c(cc1Cl)OC
O=C(NCCc1ncn[nH]1)N1CCOCC1 c1n[nH]c(n1)[*:1] O=C(NCC[*:1])N1CCOCC1
O=C(c1cccc(NCc2ncc(-c3ccccc3)o2)c1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)NCc1ncc(o1)[*:1])N1CCOCC1
O=C(c1cccc(NCc2ncc(-c3ccccc3)o2)c1)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1ccc(cc1)-c1cnc(CNc2cccc(c2)[*:1])o1
Cc1c(NC(=O)C2CC2)cccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1c(cccc1NC(=S)NC(=O)c1ccc(cc1)[*:1])NC(=O)C1CC1
Cc1c(NC(=O)C2CC2)cccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 CC(C)c1ccc(cc1)[*:1] Cc1c(cccc1NC(=S)NC(=O)[*:1])NC(=O)C1CC1
Cc1c(NC(=O)C2CC2)cccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 O=C(N[*:1])C1CC1 Cc1c(cccc1[*:1])NC(=S)NC(=O)c1ccc(cc1)C(C)C
Cc1c(NC(=O)C2CC2)cccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 C1CC1[*:1] Cc1c(cccc1NC(=S)NC(=O)c1ccc(cc1)C(C)C)NC(=O)[*:1]
O=C(Cc1ccc(NC(=O)c2ccccc2)cc1)NCc1cccs1 c1csc(c1)C[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccccc1)N[*:1]
O=C(Cc1ccc(NC(=O)c2ccccc2)cc1)NCc1cccs1 c1csc(c1)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccccc1)NC[*:1]
O=C(Cc1ccc(NC(=O)c2ccccc2)cc1)NCc1cccs1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])NCc1cccs1
Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 Cc1cccc(c1)[*:1] O=C(c1ccccc1OC(F)F)N1CCC(CC1)c1[nH]ncc1[*:1]
Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 FC(F)[*:1] Cc1cccc(c1)-c1cn[nH]c1C1CCN(CC1)C(=O)c1ccccc1O[*:1]
Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 FC(F)Oc1ccccc1[*:1] Cc1cccc(c1)-c1cn[nH]c1C1CCN(CC1)C(=O)[*:1]
Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 FC(F)O[*:1] Cc1cccc(c1)-c1cn[nH]c1C1CCN(CC1)C(=O)c1ccccc1[*:1]
COC(=O)CN(C(=O)c1cnc([C@@H]2CCCO2)s1)c1cccc(F)c1 COC(=O)C[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N(c1cccc(F)c1)[*:1]
COC(=O)CN(C(=O)c1cnc([C@@H]2CCCO2)s1)c1cccc(F)c1 COC(=O)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N(C[*:1])c1cccc(F)c1
COC(=O)CN(C(=O)c1cnc([C@@H]2CCCO2)s1)c1cccc(F)c1 Fc1cccc(c1)[*:1] COC(=O)CN(C(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
O=C1C[C@@]2(CCS(=O)(=O)C2)[C@@H](c2ccccc2F)C(=O)N1 Fc1ccccc1[*:1] O=C1C[C@@]2(CCS(=O)(=O)C2)[C@@H](C(=O)N1)[*:1]
C[C@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] C[C@H]1CCCN(C1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCS[*:1]
C[C@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)S[*:1] C[C@H]1CCCN(C1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CC[*:1]
C[NH2+][C@@H](c1cc(OC)c(OC)cc1Br)C1C(C)(C)C1(C)C CC1(C)C(C1(C)C)[*:1] C[NH2+][C@@H](c1cc(OC)c(cc1Br)OC)[*:1]
CS[C@@]1(NC#N)NCCC2=c3cc(F)ccc3=[NH+][C@H]21 N#CN[*:1] CS[C@]1(NCCC2=c3cc(F)ccc3=[NH+][C@H]21)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1C#N CC[S@@](=O)[*:1] N#Cc1cc(F)ccc1N[C@H]1CCCC[C@@H]1[*:1]
[NH3+][C@@H](c1ccoc1)[C@@H]1CCOC2(CCCCC2)C1 c1cc(co1)[*:1] [NH3+][C@@H]([C@@H]1CCOC2(CCCCC2)C1)[*:1]
COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] O=C(c1ccccc1)[C@H]1[C@@H](NC(=S)N[C@@]1(O)C(F)(F)F)[*:1]
COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)[C@@H]1NC(=S)N[C@@](O)([C@H]1C(=O)c1ccccc1)[*:1]
COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1NC(=S)N[C@](O)([C@H]1C(=O)[*:1])C(F)(F)F
COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1OC O=C(c1ccccc1)[*:1] COc1ccc(cc1OC)[C@@H]1NC(=S)N[C@](O)([C@@H]1[*:1])C(F)(F)F
CCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CCCCC(=O)NCc1ccc(cc1)[*:1]
CCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1 CCC[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)C[*:1]
CCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1 CCCC[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)[*:1]
CS(=O)(=O)N1CCC[C@@H]1c1nc(C2CC2)nn1-c1ccc(Cl)cc1 C1CC1[*:1] CS(=O)(=O)N1CCC[C@@H]1c1nc(nn1-c1ccc(Cl)cc1)[*:1]
CS(=O)(=O)N1CCC[C@@H]1c1nc(C2CC2)nn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC[C@@H]1c1nc(nn1[*:1])C1CC1
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccc(C)cc1S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] COc1ccc(C)cc1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 COc1ccc(C)cc1[*:1] O=C(NCCc1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc(C)cc1S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
O=C(c1cnc(Oc2ccccc2)cn1)N(CCO)CC1CC1 c1ccc(cc1)O[*:1] O=C(c1cnc(cn1)[*:1])N(CCO)CC1CC1
O=C(c1cnc(Oc2ccccc2)cn1)N(CCO)CC1CC1 OCC[*:1] O=C(c1cnc(cn1)Oc1ccccc1)N(CC1CC1)[*:1]
O=C(c1cnc(Oc2ccccc2)cn1)N(CCO)CC1CC1 C1CC1C[*:1] O=C(c1cnc(cn1)Oc1ccccc1)N(CCO)[*:1]
O=C(c1cnc(Oc2ccccc2)cn1)N(CCO)CC1CC1 c1ccc(cc1)[*:1] O=C(c1cnc(cn1)O[*:1])N(CCO)CC1CC1
O=C(c1cnc(Oc2ccccc2)cn1)N(CCO)CC1CC1 C1CC1[*:1] O=C(c1cnc(cn1)Oc1ccccc1)N(CCO)C[*:1]
Cn1/c(=N/C(=O)c2ccccc2O)[nH]c2cc(Cl)ccc21 Oc1ccccc1[*:1] Cn1/c(=N/C(=O)[*:1])[nH]c2cc(Cl)ccc21
C[C@H](C#N)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] C[C@H](C#N)CNC(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(SCC(=O)N2CCS(=O)(=O)C[C@H]2c2ccc(C)o2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(o1)[C@@H]1CS(=O)(=O)CCN1C(=O)CS[*:1]
COc1ccc(SCC(=O)N2CCS(=O)(=O)C[C@H]2c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)SCC(=O)N1CCS(=O)(=O)C[C@@H]1[*:1]
COc1ccccc1[C@H](CNC(=O)Nc1cccc(-c2nc(C)cs2)c1)[NH+]1CCCC1 COc1ccccc1[*:1] Cc1csc(n1)-c1cccc(c1)NC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
COc1ccccc1[C@H](CNC(=O)Nc1cccc(-c2nc(C)cs2)c1)[NH+]1CCCC1 Cc1csc(n1)[*:1] COc1ccccc1[C@H](CNC(=O)Nc1cccc(c1)[*:1])[NH+]1CCCC1
CS[C@H](C)C(=O)Nc1nccn(C)c1=O CS[C@H](C)[*:1] Cn1ccnc(NC(=O)[*:1])c1=O
Cc1ccnn1-c1cccc(NC(=O)Nc2cnn(CC(F)F)c2)c1 FC(F)[*:1] Cc1ccnn1-c1cccc(c1)NC(=O)Nc1cnn(c1)C[*:1]
Cc1ccnn1-c1cccc(NC(=O)Nc2cnn(CC(F)F)c2)c1 Cc1ccnn1[*:1] O=C(Nc1cccc(c1)[*:1])Nc1cnn(c1)CC(F)F
Cc1ccnn1-c1cccc(NC(=O)Nc2cnn(CC(F)F)c2)c1 FC(F)C[*:1] Cc1ccnn1-c1cccc(c1)NC(=O)Nc1cnn(c1)[*:1]
O=C(CCCNC(=O)c1ccccc1)Oc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CCCNC(=O)[*:1])Oc1ccc(F)cc1
O=C(CCCNC(=O)c1ccccc1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCCNC(=O)c1ccccc1)O[*:1]
COc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1NC(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccc(cc1NC(=O)[*:1])NC(=O)C[C@H](C)c1ccccc1
COc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1NC(=O)c1cccc(F)c1 O=C(N[*:1])c1cccc(F)c1 COc1ccc(cc1[*:1])NC(=O)C[C@H](C)c1ccccc1
COc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1NC(=O)c1cccc(F)c1 c1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)c1cccc(F)c1)NC(=O)C[C@H](C)[*:1]
CCCn1nnc2cc(-c3noc(-c4ccc(OC)c(OC)c4)n3)ccc21 CCC[*:1] COc1ccc(cc1OC)-c1nc(no1)-c1ccc2c(c1)nnn2[*:1]
CC(C)CN1C(=O)C(=O)N(Cc2cccc(OCc3ccccc3)c2)C1=O CC(C)[*:1] O=C1C(=O)N(C[*:1])C(=O)N1Cc1cccc(c1)OCc1ccccc1
CC(C)CN1C(=O)C(=O)N(Cc2cccc(OCc3ccccc3)c2)C1=O c1ccc(cc1)[*:1] CC(C)CN1C(=O)C(=O)N(Cc2cccc(c2)OC[*:1])C1=O
CC(C)CN1C(=O)C(=O)N(Cc2cccc(OCc3ccccc3)c2)C1=O c1ccc(cc1)CO[*:1] CC(C)CN1C(=O)C(=O)N(Cc2cccc(c2)[*:1])C1=O
CC(C)CN1C(=O)C(=O)N(Cc2cccc(OCc3ccccc3)c2)C1=O CC(C)C[*:1] O=C1C(=O)N(C(=O)N1Cc1cccc(c1)OCc1ccccc1)[*:1]
CC(C)CN1C(=O)C(=O)N(Cc2cccc(OCc3ccccc3)c2)C1=O c1ccc(cc1)C[*:1] CC(C)CN1C(=O)C(=O)N(Cc2cccc(c2)O[*:1])C1=O
C[C@@H]1OCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] C[C@@H]1OCC[C@@H]1NC(=O)Cc1ccc(cc1Br)[*:1]
CC[C@H](Cn1ccnc1)NC(=O)C1=NNC(=O)CC1 c1cn(cn1)C[*:1] CC[C@H](NC(=O)C1CCC(=O)NN=1)[*:1]
CC[C@H](Cn1ccnc1)NC(=O)C1=NNC(=O)CC1 c1cn(cn1)[*:1] CC[C@H](C[*:1])NC(=O)C1CCC(=O)NN=1
CC(C)N1CCc2nc(N)c(C#N)c(-c3ccc(C#CCO)cc3)c2C1 OCC#C[*:1] CC(C)N1CCc2nc(N)c(C#N)c(-c3ccc(cc3)[*:1])c2C1
CC(C)N1CCc2nc(N)c(C#N)c(-c3ccc(C#CCO)cc3)c2C1 CC(C)[*:1] N#Cc1c(N)nc2CCN(Cc2c1-c1ccc(C#CCO)cc1)[*:1]
O=C(C=C(C1CC1)C1CC1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(C=C(C1CC1)C1CC1)N[C@@H]([C@@H]1CCCO1)[*:1]
O=C(C=C(C1CC1)C1CC1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 C(=C(C1CC1)C1CC1)[*:1] O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)[*:1]
O=C(C=C(C1CC1)C1CC1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CC1[*:1] O=C(C=C(C1CC1)[*:1])N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1
O=C(C=C(C1CC1)C1CC1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(C=C(C1CC1)C1CC1)N[C@@H](c1ccc(F)cc1)[*:1]
CN(CCc1cccs1)C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 c1csc(c1)CC[*:1] CN(C(=O)N[C@@H]1CC(=O)N(C1)CC(F)(F)F)[*:1]
CN(CCc1cccs1)C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] CN(CCc1cccs1)C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CN(CCc1cccs1)C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] CN(CCc1cccs1)C(=O)N[C@@H]1CC(=O)N(C1)C[*:1]
CN(CCc1cccs1)C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)N[C@@H]1CC(=O)N(C1)CC(F)(F)F
CN(CCc1cccs1)C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)N[C@@H]1CC(=O)N(C1)CC(F)(F)F
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCC4)cs3)CC2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cc(cs1)C(=O)N1CCCCC1
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCC4)cs3)CC2)c1 Cc1cccc(c1)NC(=O)[*:1] O=C(c1csc(c1)S(=O)(=O)N1CCC(CC1)[*:1])N1CCCCC1
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCC4)cs3)CC2)c1 O=C(N1CCCCC1)[*:1] Cc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)c1cc(cs1)[*:1]
O=[S@](Cc1ccn(-c2ccc(F)cc2)n1)c1ccccc1 c1ccc(cc1)[*:1] O=[S@](Cc1ccn(n1)-c1ccc(F)cc1)[*:1]
O=[S@](Cc1ccn(-c2ccc(F)cc2)n1)c1ccccc1 Fc1ccc(cc1)[*:1] O=[S@](Cc1ccn(n1)[*:1])c1ccccc1
CC[C@H](OC(=O)[C@@]1(C)CCCO1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](OC(=O)[C@@]1(C)CCCO1)c1cccc(c1)[*:1]
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(C#N)c1 CCOC(=O)[*:1] CC1NC(=S)N[C@@H](C=1[*:1])c1cccc(C#N)c1
C=CCn1cc(C[NH2+][C@H](C)c2cccc(OC)c2)c(C)n1 C=CC[*:1] COc1cccc(c1)[C@@H](C)[NH2+]Cc1cn(nc1C)[*:1]
COCCSc1nnnn1CC[NH+](C)C COCCS[*:1] C[NH+](C)CCn1nnnc1[*:1]
COCCSc1nnnn1CC[NH+](C)C COCC[*:1] C[NH+](C)CCn1nnnc1S[*:1]
COCCSc1nnnn1CC[NH+](C)C COC[*:1] C[NH+](C)CCn1nnnc1SC[*:1]
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 N#Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc2OC3(CCCC3)Oc2c1
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 N#Cc1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1ccc2OC3(CCCC3)Oc2c1)[*:1]
Cc1ccc(C(=O)NCc2cccnc2-n2ccnc2)s1 Cc1ccc(s1)[*:1] O=C(NCc1cccnc1-n1ccnc1)[*:1]
Cc1ccc(C(=O)NCc2cccnc2-n2ccnc2)s1 c1cn(cn1)[*:1] Cc1ccc(s1)C(=O)NCc1cccnc1[*:1]
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] N#CC1=C(NC(=O)C[C@@H]1[*:1])SCC(=O)Nc1ccccc1
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1cccc2ccccc12 O=C(Nc1ccccc1)[*:1] N#CC1=C(NC(=O)C[C@H]1c1cccc2ccccc12)SC[*:1]
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1cccc2ccccc12 c1ccc(cc1)[*:1] N#CC1=C(NC(=O)C[C@H]1c1cccc2ccccc12)SCC(=O)N[*:1]
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1cccc2ccccc12 O=C(C[*:1])Nc1ccccc1 N#CC1=C(NC(=O)C[C@H]1c1cccc2ccccc12)S[*:1]
C=Cc1ccc(CN2C(=O)N(c3ccc(CC)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 C=Cc1ccc(cc1)C[*:1] CCc1ccc(cc1)N1C(=O)N([C@H]2CS(=O)(=O)C[C@H]21)[*:1]
C=Cc1ccc(CN2C(=O)N(c3ccc(CC)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 CCc1ccc(cc1)[*:1] C=Cc1ccc(cc1)CN1C(=O)N([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
C=Cc1ccc(CN2C(=O)N(c3ccc(CC)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 C=Cc1ccc(cc1)[*:1] CCc1ccc(cc1)N1C(=O)N(C[*:1])[C@H]2CS(=O)(=O)C[C@H]21
c1ccc(CCNc2ncnc3c2cnn3-c2ccccn2)nc1 c1ccc(CC[*:1])nc1 c1ccc(nc1)-n1ncc2c(ncnc21)N[*:1]
c1ccc(CCNc2ncnc3c2cnn3-c2ccccn2)nc1 c1ccc(C[*:1])nc1 c1ccc(nc1)-n1ncc2c(ncnc21)NC[*:1]
c1ccc(CCNc2ncnc3c2cnn3-c2ccccn2)nc1 c1ccc(nc1)[*:1] c1ccc(nc1)-n1ncc2c(ncnc21)NCC[*:1]
c1ccc(CCNc2ncnc3c2cnn3-c2ccccn2)nc1 c1ccc(nc1)[*:1] c1ccc(CCNc2ncnc3c2cnn3[*:1])nc1
Cc1cccnc1CCNC(=O)c1ccccc1N1CCC(=O)NC1=O Cc1cccnc1C[*:1] O=C1CCN(C(=O)N1)c1ccccc1C(=O)NC[*:1]
Cc1cccnc1CCNC(=O)c1ccccc1N1CCC(=O)NC1=O O=C1CCN(C(=O)N1)[*:1] Cc1cccnc1CCNC(=O)c1ccccc1[*:1]
Cc1cccnc1CCNC(=O)c1ccccc1N1CCC(=O)NC1=O Cc1cccnc1[*:1] O=C1CCN(C(=O)N1)c1ccccc1C(=O)NCC[*:1]
Cc1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] S=C(N[*:1])N1CCN(C/C=C/c2ccccc2)CC1
Cc1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1 C(=C[*:1])c1ccccc1 Cc1ccc(NC(=S)N2CCN(CC2)C[*:1])c(C)c1
Cc1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=S)N2CCN(CC=C[*:1])CC2)c(C)c1
CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccsc2)cc1 CC(C)[*:1] O=C(C[*:1])Nc1ccc(cc1)NC(=O)C(=O)NCc1ccsc1
CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccsc2)cc1 c1cc(cs1)[*:1] CC(C)CC(=O)Nc1ccc(cc1)NC(=O)C(=O)NC[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccsc2)cc1 CC(C)CC(=O)N[*:1] O=C(NCc1ccsc1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccsc2)cc1 c1cc(cs1)C[*:1] CC(C)CC(=O)Nc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccsc2)cc1 CC(C)C[*:1] O=C(NCc1ccsc1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
C[C@H]1CN(C)c2ccccc2N(C(=O)CCn2ccccc2=O)C1 O=c1ccccn1C[*:1] C[C@H]1CN(C)c2ccccc2N(C1)C(=O)C[*:1]
C[C@H]1CN(C)c2ccccc2N(C(=O)CCn2ccccc2=O)C1 O=c1ccccn1[*:1] C[C@H]1CN(C)c2ccccc2N(C1)C(=O)CC[*:1]
CNC(=O)CCCn1ccc([C@@H](O)C2CC2)c1 C1CC1[*:1] CNC(=O)CCCn1ccc(c1)[C@@H](O)[*:1]
CNC(=O)CCCn1ccc([C@@H](O)C2CC2)c1 CNC(=O)C[*:1] O[C@H](c1ccn(c1)CC[*:1])C1CC1
CNC(=O)CCCn1ccc([C@@H](O)C2CC2)c1 CNC(=O)[*:1] O[C@H](c1ccn(c1)CCC[*:1])C1CC1
CNC(=O)CCCn1ccc([C@@H](O)C2CC2)c1 O[C@@H](C1CC1)[*:1] CNC(=O)CCCn1ccc(c1)[*:1]
CC(C)Cc1ccc([C@@H](N)C(N)=O)cc1 CC(C)C[*:1] NC(=O)[C@H](N)c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H](N)C(N)=O)cc1 NC(=O)[C@H](N)[*:1] CC(C)Cc1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H](N)C(N)=O)cc1 CC(C)[*:1] NC(=O)[C@H](N)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@@H](N)C(N)=O)cc1 NC(=O)[*:1] CC(C)Cc1ccc(cc1)[C@@H](N)[*:1]
O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1)N1CCCCCC1 FC(F)(Cl)[*:1] O=C(c1cc2nc(cc(n2n1)[*:1])-c1ccco1)N1CCCCCC1
O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1)N1CCCCCC1 c1coc(c1)[*:1] O=C(c1cc2nc(cc(n2n1)C(F)(F)Cl)[*:1])N1CCCCCC1
O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] FC(F)(Cl)c1cc(nc2cc(nn12)[*:1])-c1ccco1
O=C(NCc1ccnc(OCC(F)F)c1)N1CCC[C@H]2CCC[C@H]21 FC(F)C[*:1] O=C(NCc1ccnc(c1)O[*:1])N1CCC[C@H]2CCC[C@H]21
O=C(NCc1ccnc(OCC(F)F)c1)N1CCC[C@H]2CCC[C@H]21 FC(F)CO[*:1] O=C(NCc1ccnc(c1)[*:1])N1CCC[C@H]2CCC[C@H]21
O=C(NCc1ccnc(OCC(F)F)c1)N1CCC[C@H]2CCC[C@H]21 FC(F)[*:1] O=C(NCc1ccnc(c1)OC[*:1])N1CCC[C@H]2CCC[C@H]21
Cc1csc(C(C)(C)NC(=O)N[C@@H](C)c2cnn(C)c2)n1 Cn1cc(cn1)[*:1] Cc1csc(n1)C(C)(C)NC(=O)N[C@@H](C)[*:1]
Cc1csc(C(C)(C)NC(=O)N[C@@H](C)c2cnn(C)c2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)NC(C)(C)[*:1])c1cnn(C)c1
CC(C)CN(CC(C)C)C(=O)Nc1cc(Br)cn(C)c1=O CC(C)[*:1] CC(C)CN(C[*:1])C(=O)Nc1cc(Br)cn(C)c1=O
CC(C)CN(CC(C)C)C(=O)Nc1cc(Br)cn(C)c1=O CC(C)C[*:1] CC(C)CN(C(=O)Nc1cc(Br)cn(C)c1=O)[*:1]
COc1ccc(C(=O)Oc2cccc3cccnc23)cc1S(=O)(=O)N1CCOCC1 c1cnc2c(cccc2c1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)O[*:1]
COc1ccc(C(=O)Oc2cccc3cccnc23)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1[*:1])C(=O)Oc1cccc2cccnc12
Cc1nc2cc(S(=O)(=O)N3CCC(C(=O)[O-])CC3)ccc2n1C1CCCC1 C1CCC(C1)[*:1] Cc1nc2cc(ccc2n1[*:1])S(=O)(=O)N1CCC(CC1)C(=O)[O-]
Cc1nc2cc(S(=O)(=O)N3CCC(C(=O)[O-])CC3)ccc2n1C1CCCC1 O=C([O-])[*:1] Cc1nc2cc(ccc2n1C1CCCC1)S(=O)(=O)N1CCC(CC1)[*:1]
C[C@H]1CN(C(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)C[C@H]1N1CCOCC1 C1CN(CCO1)[*:1] C[C@H]1CN(C[C@@H]1[*:1])C(=O)CCc1ccc(o1)[C@@H]1C[C@@H]1C
C[C@H]1CN(C(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)C[C@H]1N1CCOCC1 C[C@H]1C[C@H]1[*:1] C[C@H]1CN(C[C@H]1N1CCOCC1)C(=O)CCc1ccc(o1)[*:1]
COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1[C@@H](C(=O)[*:1])N2c3ccccc3C=C[C@H]2C1(C#N)C#N
COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 COc1ccc(OC)c(c1)[*:1] N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1[*:1]
COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1 O=C(c1ccccc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1[C@@H](N2c3ccccc3C=C[C@H]2C1(C#N)C#N)[*:1]
CNC(=O)CCc1cc([C@H]2CCCN2S(C)(=O)=O)nc(C)n1 CNC(=O)CC[*:1] Cc1nc(cc(n1)[*:1])[C@H]1CCCN1S(C)(=O)=O
CNC(=O)CCc1cc([C@H]2CCCN2S(C)(=O)=O)nc(C)n1 CNC(=O)C[*:1] Cc1nc(cc(n1)[C@H]1CCCN1S(C)(=O)=O)C[*:1]
CNC(=O)CCc1cc([C@H]2CCCN2S(C)(=O)=O)nc(C)n1 CNC(=O)[*:1] Cc1nc(cc(n1)[C@H]1CCCN1S(C)(=O)=O)CC[*:1]
CSc1ncc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1ncc(C(=O)N2CCN(CC2)C[C@H]2CCCO2)n1[*:1]
CSc1ncc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)n1-c1ccc(F)cc1 C1CO[C@H](C1)C[*:1] CSc1ncc(C(=O)N2CCN(CC2)[*:1])n1-c1ccc(F)cc1
CCOC(=O)C(C#N)=C(C(F)(F)F)[C@]1(C)N(C)c2ccccc2C1(C)C CCOC(=O)[*:1] CN1c2ccccc2C(C)(C)[C@]1(C)C(=C(C#N)[*:1])C(F)(F)F
CCOC(=O)C(C#N)=C(C(F)(F)F)[C@]1(C)N(C)c2ccccc2C1(C)C FC(F)(F)[*:1] CCOC(=O)C(C#N)=C([C@]1(C)N(C)c2ccccc2C1(C)C)[*:1]
Cc1noc(C)c1CCCNC(=O)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] Cc1noc(C)c1CCCNC(=O)Nc1ccc(cc1)[*:1]
Cc1noc(C)c1CCCNC(=O)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] Cc1noc(C)c1CCCNC(=O)Nc1ccc(cc1)O[*:1]
Cc1noc(C)c1CCCNC(=O)Nc1ccc(OC(F)F)cc1 Cc1noc(C)c1C[*:1] O=C(NCC[*:1])Nc1ccc(cc1)OC(F)F
Cc1noc(C)c1CCCNC(=O)Nc1ccc(OC(F)F)cc1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])Nc1ccc(cc1)OC(F)F
Cc1ccncc1NC(=O)N1CCO[C@@](C)(c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccncc1NC(=O)N1CCO[C@@](C)(C1)[*:1]
Cc1ccncc1NC(=O)N1CCO[C@@](C)(c2ccccc2)C1 Cc1ccncc1[*:1] C[C@@]1(CN(CCO1)C(=O)N[*:1])c1ccccc1
CC(C)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 CC(C)[*:1] O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(CC1)C(=O)[*:1]
CC(C)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)C(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
CC1(C)CC(=O)N(Cc2ccc(S(C)(=O)=O)cc2)C1 CS(=O)(=O)[*:1] CC1(C)CC(=O)N(Cc2ccc(cc2)[*:1])C1
O=C(Nc1cccc(Cl)c1)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 Clc1cccc(c1)[*:1] O=C(N[*:1])N1CCN(CC1)Cc1nc(no1)-c1cccc(c1)C(F)(F)F
O=C(Nc1cccc(Cl)c1)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 FC(F)(F)[*:1] O=C(Nc1cccc(Cl)c1)N1CCN(CC1)Cc1nc(no1)-c1cccc(c1)[*:1]
O=C(Nc1cccc(Cl)c1)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C(Nc1cccc(Cl)c1)N1CCN(CC1)Cc1nc(no1)[*:1]
CCc1noc(CN(C)Cc2ccc(C(=O)OC)c(F)c2)n1 COC(=O)[*:1] CCc1noc(CN(C)Cc2ccc(c(F)c2)[*:1])n1
CCc1noc(CN(C)Cc2ccc(C(=O)OC)c(F)c2)n1 CCc1noc(n1)[*:1] COC(=O)c1ccc(cc1F)CN(C)C[*:1]
CCOCCSc1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] CCOCCSc1ccccc1[*:1]
CCOCCSc1ccccc1S(C)(=O)=O CCOCC[*:1] CS(=O)(=O)c1ccccc1S[*:1]
CCOCCSc1ccccc1S(C)(=O)=O CCO[*:1] CS(=O)(=O)c1ccccc1SCC[*:1]
CCOCCSc1ccccc1S(C)(=O)=O CCOC[*:1] CS(=O)(=O)c1ccccc1SC[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(cc1)[*:1]
NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1SCCc2sccc21 NC(=O)[*:1] O=C([C@@H]1SCCc2sccc21)N1CCOC[C@H]1[*:1]
O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-n1cc[nH]c1=S)[*:1]
O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccccc1 S=c1[nH]ccn1[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1
Cc1cc(C)c(NC(=O)CO/N=C(\N)c2ccc(N(C)C)cc2)c(C)c1 CN(C)[*:1] Cc1cc(C)c(NC(=O)CO/N=C(\N)c2ccc(cc2)[*:1])c(C)c1
CNC(=O)COC(=O)[C@H](C)Sc1ccccc1Cl CNC(=O)C[*:1] C[C@H](Sc1ccccc1Cl)C(=O)O[*:1]
CNC(=O)COC(=O)[C@H](C)Sc1ccccc1Cl CNC(=O)[*:1] C[C@H](Sc1ccccc1Cl)C(=O)OC[*:1]
O=C(CCNC(=O)N[C@@H]1CCCC[C@@H]1CO)NC1CCCC1 C1CCC(C1)[*:1] O=C(CCNC(=O)N[C@@H]1CCCC[C@@H]1CO)N[*:1]
CCN(C(=O)[C@@H]1CCCO1)c1ccc(C[NH3+])cc1 C1CO[C@@H](C1)[*:1] CCN(C(=O)[*:1])c1ccc(cc1)C[NH3+]
CCc1c(C[NH3+])cnn1CCC(C)C CC(C)C[*:1] CCc1c(cnn1C[*:1])C[NH3+]
CCc1c(C[NH3+])cnn1CCC(C)C CC(C)[*:1] CCc1c(cnn1CC[*:1])C[NH3+]
COc1cccc(CCCNC(=O)c2ccc(C(F)(F)F)nc2[O-])c1 COc1cccc(c1)[*:1] O=C(NCCC[*:1])c1ccc(nc1[O-])C(F)(F)F
COc1cccc(CCCNC(=O)c2ccc(C(F)(F)F)nc2[O-])c1 FC(F)(F)[*:1] COc1cccc(c1)CCCNC(=O)c1ccc(nc1[O-])[*:1]
C[C@@H](NC(=O)c1cccc(Cl)c1Cl)/C([O-])=N/c1ncn[nH]1 c1n[nH]c(n1)[*:1] C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C([O-])=N[*:1]
Cc1[nH]nc(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1[nH]nc(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)c1[*:1]
Cc1[nH]nc(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)c1[N+](=O)[O-] Brc1ccc(cc1)[*:1] Cc1[nH]nc(C(=O)NC[C@H](C)S[*:1])c1[N+](=O)[O-]
Cc1cccc([C@@H](C)[S@](=O)c2nnc(NCC(F)(F)F)s2)c1 FC(F)(F)C[*:1] Cc1cccc(c1)[C@@H](C)[S@](=O)c1nnc(N[*:1])s1
Cc1cccc([C@@H](C)[S@](=O)c2nnc(NCC(F)(F)F)s2)c1 Cc1cccc(c1)[*:1] C[C@@H]([S@](=O)c1nnc(NCC(F)(F)F)s1)[*:1]
Cc1cccc([C@@H](C)[S@](=O)c2nnc(NCC(F)(F)F)s2)c1 FC(F)(F)[*:1] Cc1cccc(c1)[C@@H](C)[S@](=O)c1nnc(NC[*:1])s1
Cc1cccc([C@@H](C)[S@](=O)c2nnc(NCC(F)(F)F)s2)c1 FC(F)(F)CN[*:1] Cc1cccc(c1)[C@@H](C)[S@](=O)c1nnc(s1)[*:1]
CC1=CC(=O)[C@@H](C(=O)N(C)CC2=C(C)N=N[C@@H]2C)[C@H](Cc2ccccc2C)N1Cc1ccccn1 Cc1ccccc1[*:1] CC1=CC(=O)[C@@H](C(=O)N(C)CC2=C(C)N=N[C@@H]2C)[C@H](C[*:1])N1Cc1ccccn1
CC1=CC(=O)[C@@H](C(=O)N(C)CC2=C(C)N=N[C@@H]2C)[C@H](Cc2ccccc2C)N1Cc1ccccn1 Cc1ccccc1C[*:1] CC1=CC(=O)[C@@H](C(=O)N(C)CC2=C(C)N=N[C@@H]2C)[C@H](N1Cc1ccccn1)[*:1]
CC1=CC(=O)[C@@H](C(=O)N(C)CC2=C(C)N=N[C@@H]2C)[C@H](Cc2ccccc2C)N1Cc1ccccn1 c1ccc(C[*:1])nc1 CC1=CC(=O)[C@@H](C(=O)N(C)CC2=C(C)N=N[C@@H]2C)[C@H](Cc2ccccc2C)N1[*:1]
CC1=CC(=O)[C@@H](C(=O)N(C)CC2=C(C)N=N[C@@H]2C)[C@H](Cc2ccccc2C)N1Cc1ccccn1 c1ccc(nc1)[*:1] CC1=CC(=O)[C@@H](C(=O)N(C)CC2=C(C)N=N[C@@H]2C)[C@H](Cc2ccccc2C)N1C[*:1]
CC[C@@H](C)CN(CC)c1nc(-c2ccccc2)c(C[NH3+])s1 c1ccc(cc1)[*:1] CC[C@@H](C)CN(CC)c1nc(c(C[NH3+])s1)[*:1]
CC[C@@H](C)CN(CC)c1nc(-c2ccccc2)c(C[NH3+])s1 CC[C@@H](C)[*:1] CCN(C[*:1])c1nc(-c2ccccc2)c(C[NH3+])s1
CC[C@@H](C)CN(CC)c1nc(-c2ccccc2)c(C[NH3+])s1 CC[C@@H](C)C[*:1] CCN(c1nc(-c2ccccc2)c(C[NH3+])s1)[*:1]
CC(=O)c1ccc(N2CCO[C@H]3CCCC[C@@H]32)cc1O CC(=O)[*:1] Oc1cc(ccc1[*:1])N1CCO[C@H]2CCCC[C@@H]21
COC[C@H](C)OC(=O)c1c(N)n(-c2cccc(C)c2C)c2nc3ccccc3nc12 Cc1cccc(c1C)[*:1] COC[C@H](C)OC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
COC[C@H](C)OC(=O)c1c(N)n(-c2cccc(C)c2C)c2nc3ccccc3nc12 COC[*:1] Cc1cccc(c1C)-n1c(N)c(C(=O)O[C@@H](C)[*:1])c2nc3ccccc3nc21
CC(C)(C)SCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 CC(C)(C)S[*:1] N#Cc1c2CCCCc2n(C[C@H]2CCCO2)c1NC(=O)C[*:1]
CC(C)(C)SCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 CC(C)(C)SC[*:1] N#Cc1c2CCCCc2n(C[C@H]2CCCO2)c1NC(=O)[*:1]
CC(C)(C)SCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 C1CO[C@H](C1)C[*:1] CC(C)(C)SCC(=O)Nc1c(C#N)c2CCCCc2n1[*:1]
CC(C)(C)SCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 CC(C)(C)[*:1] N#Cc1c2CCCCc2n(C[C@H]2CCCO2)c1NC(=O)CS[*:1]
CC(C)(C)SCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 C1CO[C@H](C1)[*:1] CC(C)(C)SCC(=O)Nc1c(C#N)c2CCCCc2n1C[*:1]
O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1cccc(-c2nccs2)c1 c1csc(n1)[*:1] O=C(COc1ccc2NC(=O)CCc2c1)Nc1cccc(c1)[*:1]
Cc1cccc([C@@H](C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)N(C)C)c1 FC(F)(F)[*:1] Cc1cccc(c1)[C@@H](C(=O)NCCc1nc(C)cc(n1)[*:1])N(C)C
Cc1cccc([C@@H](C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)N(C)C)c1 CN(C)[*:1] Cc1cccc(c1)[C@@H](C(=O)NCCc1nc(C)cc(n1)C(F)(F)F)[*:1]
Cc1cccc([C@@H](C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)N(C)C)c1 Cc1cccc(c1)[*:1] Cc1cc(nc(CCNC(=O)[C@@H](N(C)C)[*:1])n1)C(F)(F)F
Cc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c(C)n1C1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c(C)n1[*:1]
CCCN(C)[C@@H](C[NH3+])c1ccc(OC)c2ccccc12 CCCN(C)[*:1] COc1ccc(c2ccccc12)[C@H](C[NH3+])[*:1]
CCCN(C)[C@@H](C[NH3+])c1ccc(OC)c2ccccc12 CCC[*:1] COc1ccc(c2ccccc12)[C@H](C[NH3+])N(C)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](C)n1nnc(n1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 CNC(=O)[*:1] C[C@@H](C(=O)N(C)C[C@H](C)[*:1])n1nnc(n1)-c1ccccc1
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 CNC(=O)[C@@H](C)C[*:1] C[C@@H](C(=O)N(C)[*:1])n1nnc(n1)-c1ccccc1
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 CNC(=O)[C@@H](C)[*:1] C[C@@H](C(=O)N(C)C[*:1])n1nnc(n1)-c1ccccc1
C#CC[C@H](C)OC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O C#CC[*:1] C[C@H](OC(=O)CCCN1C(=O)c2cccc3cccc(C1=O)c23)[*:1]
CCOc1ccc(F)c(C(=O)NCc2cccc(OC(F)F)c2)c1F FC(F)O[*:1] CCOc1ccc(F)c(C(=O)NCc2cccc(c2)[*:1])c1F
CCOc1ccc(F)c(C(=O)NCc2cccc(OC(F)F)c2)c1F CCO[*:1] O=C(NCc1cccc(c1)OC(F)F)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)NCc2cccc(OC(F)F)c2)c1F FC(F)[*:1] CCOc1ccc(F)c(C(=O)NCc2cccc(c2)O[*:1])c1F
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cc(CS(C)(=O)=O)ccc1Cl C[C@@H](O)[*:1] C[C@@H](CNC(=O)Nc1cc(ccc1Cl)CS(C)(=O)=O)C[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cc(CS(C)(=O)=O)ccc1Cl CS(=O)(=O)C[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cc(ccc1Cl)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cc(CS(C)(=O)=O)ccc1Cl C[C@@H](O)C[*:1] C[C@@H](CNC(=O)Nc1cc(ccc1Cl)CS(C)(=O)=O)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cc(CS(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cc(ccc1Cl)C[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1nc(C2CC2)no1 CC(C)[*:1] N#CCc1ccc(cc1)NC(=O)N[C@@H](c1nc(no1)C1CC1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1nc(C2CC2)no1 N#CC[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1nc(no1)C1CC1
CC(C)[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)CC#N)c1nc(no1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)CC#N)[*:1]
COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 COC(=O)[C@@H](C)C[*:1] CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[*:1]
COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 COC(=O)[*:1] C[C@@H](CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[*:1]
COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 COC(=O)[C@@H](C)[*:1] CN(C[*:1])C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
Cc1nc(N2CCN(C(=O)C[C@H](O)c3ccccc3)CC2)sc1C Cc1nc(sc1C)[*:1] O=C(C[C@H](O)c1ccccc1)N1CCN(CC1)[*:1]
Cc1nc(N2CCN(C(=O)C[C@H](O)c3ccccc3)CC2)sc1C O[C@H](c1ccccc1)[*:1] Cc1nc(sc1C)N1CCN(CC1)C(=O)C[*:1]
Cc1nc(N2CCN(C(=O)C[C@H](O)c3ccccc3)CC2)sc1C c1ccc(cc1)[*:1] Cc1nc(sc1C)N1CCN(CC1)C(=O)C[C@H](O)[*:1]
CS(=O)(=O)c1nccn1Cc1nc2cc(C(F)(F)F)ccc2o1 CS(=O)(=O)[*:1] FC(F)(F)c1ccc2oc(Cn3ccnc3[*:1])nc2c1
CS(=O)(=O)c1nccn1Cc1nc2cc(C(F)(F)F)ccc2o1 FC(F)(F)[*:1] CS(=O)(=O)c1nccn1Cc1nc2cc(ccc2o1)[*:1]
O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(CNC(=O)c1ccc(cc1)-c1ccccc1)Nc1cccc(c1)C(=O)N[*:1]
O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)NC2CC2)c1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])Nc1cccc(c1)C(=O)NC1CC1
O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(CNC(=O)c1ccc(cc1)-c1ccccc1)Nc1cccc(c1)[*:1]
COc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3cc(C(C)C)no3)on2)c1 COc1cccc(c1)[*:1] CC(C)c1cc(on1)[C@H]1CCCN1C(=O)c1cc(no1)[*:1]
COc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3cc(C(C)C)no3)on2)c1 CC(C)c1cc(on1)[*:1] COc1cccc(c1)-c1cc(on1)C(=O)N1CCC[C@H]1[*:1]
COc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3cc(C(C)C)no3)on2)c1 CC(C)[*:1] COc1cccc(c1)-c1cc(on1)C(=O)N1CCC[C@@H]1c1cc(no1)[*:1]
COCC1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1 COC[*:1] CC1NC(=O)N[C@H](C=1[*:1])c1ccc(cc1)OCc1ccc(Br)cc1
COCC1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COCC1=C(C)NC(=O)N[C@H]1c1ccc(cc1)OC[*:1]
COCC1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1 Brc1ccc(cc1)C[*:1] COCC1=C(C)NC(=O)N[C@H]1c1ccc(cc1)O[*:1]
N#CC1=CN2[C@@H](C(=O)C3CC3)[C@@H](c3ccc(Br)cc3)C(C#N)(C#N)[C@H]2C=C1 O=C(C1CC1)[*:1] N#CC1C=C[C@H]2N(C=1)[C@@H]([C@@H](c1ccc(Br)cc1)C2(C#N)C#N)[*:1]
N#CC1=CN2[C@@H](C(=O)C3CC3)[C@@H](c3ccc(Br)cc3)C(C#N)(C#N)[C@H]2C=C1 C1CC1[*:1] N#CC1C=C[C@H]2N(C=1)[C@@H](C(=O)[*:1])[C@@H](c1ccc(Br)cc1)C2(C#N)C#N
N#CC1=CN2[C@@H](C(=O)C3CC3)[C@@H](c3ccc(Br)cc3)C(C#N)(C#N)[C@H]2C=C1 Brc1ccc(cc1)[*:1] N#CC1C=C[C@H]2N(C=1)[C@@H](C(=O)C1CC1)[C@@H](C2(C#N)C#N)[*:1]
CC(=O)N[C@@H](C(=O)O[C@H](C)c1nc(C)no1)C1CCCC1 Cc1noc(n1)[*:1] CC(=O)N[C@@H](C(=O)O[C@H](C)[*:1])C1CCCC1
CC(=O)N[C@@H](C(=O)O[C@H](C)c1nc(C)no1)C1CCCC1 CC(=O)N[*:1] Cc1noc(n1)[C@@H](C)OC(=O)[C@@H](C1CCCC1)[*:1]
CC(=O)N[C@@H](C(=O)O[C@H](C)c1nc(C)no1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)O[C@H](C)c1nc(C)no1)[*:1]
C[C@H](C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)OCc1cnc(o1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@H](C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccsc1 O=[N+]([O-])[*:1] C[C@H](C(=O)OCc1cnc(o1)-c1ccc(cc1)[*:1])c1ccsc1
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)COCC2 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1nc2CCOCc2s1
O=C([O-])[C@@H](Cc1cccc(F)c1)[C@H]1CS(=O)(=O)C[C@@H]1O O=C([O-])[*:1] O=S1(=O)C[C@H](O)[C@H](C1)[C@H](Cc1cccc(F)c1)[*:1]
Cn1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1=O FC(F)(F)[*:1] Cn1cc(ccc1=O)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
CO[C@H](C)/C(N)=N/O[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 CO[C@H](C)[*:1] Cc1cc(ccc1Br)NC(=O)[C@H](C)O/N=C(\N)[*:1]
[NH3+][C@H]1CCCCC[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)Nc1ccc(F)c(c1)[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 CCO[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)C[C@H](O)C[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 CCOC[C@@H](O)C[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 CCOC[C@@H](O)[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)C[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 CCOC[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)C[C@H](O)[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC[C@@H](O)CN1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1OC)C(=O)Nc1ccc(C)cc1 CCC[*:1] COc1ccccc1[C@H]1c2cccn2CCN1C(=O)CN(C(=O)Nc1ccc(C)cc1)[*:1]
CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1OC)C(=O)Nc1ccc(C)cc1 COc1ccccc1[*:1] CCCN(CC(=O)N1CCn2cccc2[C@H]1[*:1])C(=O)Nc1ccc(C)cc1
CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1OC)C(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1OC)C(=O)N[*:1]
O=C(OCC1CC[NH2+]CC1)C1CCCC1 C1CCC(C1)[*:1] O=C(OCC1CC[NH2+]CC1)[*:1]
CN(CCC1CC[NH2+]CC1)C(=O)N[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] CN(CCC1CC[NH2+]CC1)C(=O)N[*:1]
CCN1CCc2nc[nH]c2C12CC[NH+](Cc1cccc(-n3cccn3)c1)CC2 c1cnn(c1)[*:1] CCN1CCc2nc[nH]c2C12CC[NH+](CC2)Cc1cccc(c1)[*:1]
C[C@H]1C[C@H](NC(=O)NCC2(O)CCCCC2)C(=O)N1c1ccccc1 OC1(CCCCC1)[*:1] C[C@H]1C[C@H](NC(=O)NC[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@H](NC(=O)NCC2(O)CCCCC2)C(=O)N1c1ccccc1 OC1(CCCCC1)C[*:1] C[C@H]1C[C@H](NC(=O)N[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@H](NC(=O)NCC2(O)CCCCC2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](NC(=O)NCC2(O)CCCCC2)C(=O)N1[*:1]
CCSc1nc2c(c(C(F)(F)F)c1C#N)CCCC2 FC(F)(F)[*:1] CCSc1nc2CCCCc2c(c1C#N)[*:1]
CCSc1nc2c(c(C(F)(F)F)c1C#N)CCCC2 CCS[*:1] N#Cc1c(nc2CCCCc2c1C(F)(F)F)[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] CCNS(=O)(=O)c1ccc(C)c(c1)C(=O)N1CCN(CC1)C[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 CCNS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N1CCN(CC1)Cc1ccc(Cl)cc1)[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)C[*:1] CCNS(=O)(=O)c1ccc(C)c(c1)C(=O)N1CCN(CC1)[*:1]
CC(=O)N1CCN(Cc2cc(NCCc3c[nH]c4cc(F)ccc34)cc[nH+]2)CC1 CC(=O)N1CCN(CC1)[*:1] Fc1ccc2c(c[nH]c2c1)CCNc1cc[nH+]c(c1)C[*:1]
C=C(C)CN(CC)c1ccc(C(=O)NC)n[nH+]1 C=C(C)C[*:1] CCN(c1ccc(n[nH+]1)C(=O)NC)[*:1]
C=C(C)CN(CC)c1ccc(C(=O)NC)n[nH+]1 CNC(=O)[*:1] C=C(C)CN(CC)c1ccc(n[nH+]1)[*:1]
C=C(C)CN(CC)c1ccc(C(=O)NC)n[nH+]1 C=C(C)[*:1] CCN(C[*:1])c1ccc(n[nH+]1)C(=O)NC
CC[C@H](CSC)N(C)C(=O)c1cccnc1Br CSC[*:1] CC[C@H](N(C)C(=O)c1cccnc1Br)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)c1c(F)cccc1F Clc1cccc(c1Cl)[*:1] CC(=O)N[C@@H](CC(=O)N[*:1])c1c(F)cccc1F
CC(=O)N[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)c1c(F)cccc1F CC(=O)N[*:1] O=C(C[C@@H](c1c(F)cccc1F)[*:1])Nc1cccc(Cl)c1Cl
CC(=O)N[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)c1c(F)cccc1F Fc1cccc(F)c1[*:1] CC(=O)N[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)[*:1]
CCOC(=O)C1=C(Cn2cnc3ccccc3c2=O)NC(=O)N[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(Cn2cnc3ccccc3c2=O)NC(=O)N[C@@H]1[*:1]
CCOC(=O)C1=C(Cn2cnc3ccccc3c2=O)NC(=O)N[C@H]1c1ccccc1 CCOC(=O)[*:1] O=C1NC(Cn2cnc3ccccc3c2=O)=C([C@@H](N1)c1ccccc1)[*:1]
N#CCCN(C(=O)[C@@H]1C[C@@H]1c1cccnc1)c1ccc2c(c1)OCCO2 c1cncc(c1)[*:1] N#CCCN(C(=O)[C@@H]1C[C@H]1[*:1])c1ccc2OCCOc2c1
N#CCCN(C(=O)[C@@H]1C[C@@H]1c1cccnc1)c1ccc2c(c1)OCCO2 N#CC[*:1] O=C([C@@H]1C[C@@H]1c1cccnc1)N(C[*:1])c1ccc2OCCOc2c1
N#CCCN(C(=O)[C@@H]1C[C@@H]1c1cccnc1)c1ccc2c(c1)OCCO2 N#CCC[*:1] O=C([C@@H]1C[C@@H]1c1cccnc1)N(c1ccc2OCCOc2c1)[*:1]
N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] N#CC1=C(NC(=O)C[C@@H]1[*:1])SCc1ccccc1
N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1ccc(Cl)cc1Cl c1ccc(cc1)C[*:1] N#CC1=C(NC(=O)C[C@H]1c1ccc(Cl)cc1Cl)S[*:1]
N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1ccc(Cl)cc1Cl c1ccc(cc1)CS[*:1] N#CC1=C(NC(=O)C[C@H]1c1ccc(Cl)cc1Cl)[*:1]
N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] N#CC1=C(NC(=O)C[C@H]1c1ccc(Cl)cc1Cl)SC[*:1]
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(S(N)(=O)=O)o1 FC(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1ccc(o1)S(N)(=O)=O
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(S(N)(=O)=O)o1 FC(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)c1ccc(o1)S(N)(=O)=O
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(S(N)(=O)=O)o1 NS(=O)(=O)[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)c1ccc(o1)[*:1]
CCC(=O)Nc1cccc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 CCC(=O)N[*:1] O=C(NC1CCC(CC1)[NH+]1CCCCC1)c1cccc(c1)[*:1]
COc1cccc(C[NH+](C)CC(=O)Nc2cc(C)nn2-c2ccccc2)c1 COc1cccc(c1)C[*:1] Cc1cc(NC(=O)C[NH+](C)[*:1])n(n1)-c1ccccc1
COc1cccc(C[NH+](C)CC(=O)Nc2cc(C)nn2-c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C[NH+](C)CC(=O)Nc1cc(C)nn1[*:1]
COc1cccc(C[NH+](C)CC(=O)Nc2cc(C)nn2-c2ccccc2)c1 COc1cccc(c1)[*:1] Cc1cc(NC(=O)C[NH+](C)C[*:1])n(n1)-c1ccccc1
CCCCC[C@H](C)NC(=O)NCc1nc2ccccc2s1 CCCCC[*:1] C[C@H](NC(=O)NCc1nc2ccccc2s1)[*:1]
CCCCC[C@H](C)NC(=O)NCc1nc2ccccc2s1 CCC[*:1] C[C@@H](CC[*:1])NC(=O)NCc1nc2ccccc2s1
CCCCC[C@H](C)NC(=O)NCc1nc2ccccc2s1 CCCCC[C@H](C)[*:1] O=C(NCc1nc2ccccc2s1)N[*:1]
CCCCC[C@H](C)NC(=O)NCc1nc2ccccc2s1 CCCC[*:1] C[C@@H](C[*:1])NC(=O)NCc1nc2ccccc2s1
COc1ccc([C@H](NC(=O)CN2CCCC2=O)c2nccn2C)cc1 O=C1CCCN1[*:1] COc1ccc(cc1)[C@H](NC(=O)C[*:1])c1nccn1C
COc1ccc([C@H](NC(=O)CN2CCCC2=O)c2nccn2C)cc1 COc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)CN1CCCC1=O)[*:1]
COc1ccc([C@H](NC(=O)CN2CCCC2=O)c2nccn2C)cc1 Cn1ccnc1[*:1] COc1ccc(cc1)[C@H](NC(=O)CN1CCCC1=O)[*:1]
COc1ccc([C@H](NC(=O)CN2CCCC2=O)c2nccn2C)cc1 O=C1CCCN1C[*:1] COc1ccc(cc1)[C@H](NC(=O)[*:1])c1nccn1C
C[C@H](NC(=O)N1CCC[C@@H](CCO)C1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@H](NC(=O)N1CCC[C@@H](CCO)C1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)N1CCC[C@@H](CCO)C1)c1ccc(N2CCCC2=O)cc1 OCC[*:1] C[C@H](NC(=O)N1CCC[C@@H](C1)[*:1])c1ccc(cc1)N1CCCC1=O
C=CCCC[NH+](C)CC(=O)N1CCCCCC1 C=CCCC[*:1] C[NH+](CC(=O)N1CCCCCC1)[*:1]
C=CCCC[NH+](C)CC(=O)N1CCCCCC1 C=CC[*:1] C[NH+](CC[*:1])CC(=O)N1CCCCCC1
C=CCCC[NH+](C)CC(=O)N1CCCCCC1 C=CCC[*:1] C[NH+](CC(=O)N1CCCCCC1)C[*:1]
Cc1cccc(CNC(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])c1 O=C([O-])[*:1] Cc1cccc(c1)CNC(=O)N[C@@H](CC1C[NH+]=c2ccccc2=1)[*:1]
Cc1cccc(CNC(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])N[C@@H](CC1C[NH+]=c2ccccc2=1)C(=O)[O-]
Cc1cccc(CNC(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])c1 Cc1cccc(c1)C[*:1] O=C(N[C@@H](CC1C[NH+]=c2ccccc2=1)C(=O)[O-])N[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1ccncc1 C[C@H](c1ccncc1)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1ccncc1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)N[C@H](C)c1ccncc1
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1ccncc1 c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)N[C@H](C)c1ccncc1)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)[*:1]
CCOc1cc(F)ccc1NC(=O)CC1(C(=O)[O-])CCCCC1 CCO[*:1] O=C(CC1(CCCCC1)C(=O)[O-])Nc1ccc(F)cc1[*:1]
CCOc1cc(F)ccc1NC(=O)CC1(C(=O)[O-])CCCCC1 O=C([O-])[*:1] CCOc1cc(F)ccc1NC(=O)CC1(CCCCC1)[*:1]
CC(C)c1nc(C[NH+]2CCn3c(nn(C)c3=O)C2)cs1 CC(C)[*:1] Cn1nc2C[NH+](CCn2c1=O)Cc1csc(n1)[*:1]
COc1ccc2c(c1)=C1CCN[C@H]([C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)N(C)[C@H]3O)[C@H]1[NH+]=2 Clc1ccc(cc1)[*:1] COc1ccc2=[NH+][C@H]3C(CCN[C@@H]3[C@H]3C(=O)N(C(=O)N(C)[C@H]3O)[*:1])=c2c1
N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC[C@H](O)[*:1]
N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc([S@@](C)=O)cc1)c1ccccc1 CC(C)[*:1] C[S@@](=O)c1ccc(cc1)NC(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc([S@@](C)=O)cc1)c1ccccc1 C[S@@](=O)[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CC(C)[C@@H](NC(=O)Nc1ccc([S@@](C)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)[S@@](C)=O)[*:1]
COc1ccc(C(=O)N2CCC[C@@H](C(C)C)CC2)c(OC)c1OC CC(C)[*:1] COc1ccc(C(=O)N2CCC[C@@H](CC2)[*:1])c(OC)c1OC
O=C(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] O=C(NC(=O)c1cc(ccc1Cl)[*:1])N[C@H]1CCS(=O)(=O)C1
CS(=O)(=O)N1CCCC[C@H]1C(=O)OC1CCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)OC1CCN(CC1)C[*:1]
CS(=O)(=O)N1CCCC[C@H]1C(=O)OC1CCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)OC1CCN(CC1)[*:1]
CCCCN(CCO)C(=O)Nc1cnc(-c2ccccc2)s1 CCC[*:1] O=C(Nc1cnc(s1)-c1ccccc1)N(CCO)C[*:1]
CCCCN(CCO)C(=O)Nc1cnc(-c2ccccc2)s1 CCCC[*:1] O=C(Nc1cnc(s1)-c1ccccc1)N(CCO)[*:1]
CCCCN(CCO)C(=O)Nc1cnc(-c2ccccc2)s1 OCC[*:1] CCCCN(C(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
CCCCN(CCO)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CCCCN(CCO)C(=O)Nc1cnc(s1)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)c1cccc(O)c1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1COC(=O)c1cccc(O)c1
Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)c1cccc(O)c1 Oc1cccc(c1)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1COC(=O)c1cccc(O)c1 c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1COC(=O)c1cccc(O)c1)[*:1]
Cc1n[nH]c(-c2ccc(NCc3cccc(C(N)=O)c3)cc2)n1 NC(=O)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NCc1cccc(c1)[*:1]
Cc1n[nH]c(-c2ccc(NCc3cccc(C(N)=O)c3)cc2)n1 Cc1n[nH]c(n1)[*:1] NC(=O)c1cccc(c1)CNc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 Cc1ccc(cc1)[*:1] O=c1oc2cc(ccc2c2CCCc21)OS(=O)(=O)[*:1]
Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)C(=O)Nc1ccc(Cl)cc1[*:1]
Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)o1 Cc1ccc(o1)[*:1] O=C(Nc1ccc(Cl)cc1C(F)(F)F)[*:1]
Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc(Br)c[nH]2)C1 Brc1c[nH]c(c1)[*:1] Cn1cnnc1[C@@H]1CCCN(C1)C(=O)[*:1]
Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc(Br)c[nH]2)C1 Cn1cnnc1[*:1] O=C(c1cc(Br)c[nH]1)N1CCC[C@H](C1)[*:1]
COc1ccccc1-c1nnc(SC[C@H]2CCCCO2)n1-c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1-c1nnc(SC[C@H]2CCCCO2)n1[*:1]
COc1ccccc1-c1nnc(SC[C@H]2CCCCO2)n1-c1ccccc1 COc1ccccc1[*:1] c1ccc(cc1)-n1c(nnc1[*:1])SC[C@H]1CCCCO1
O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ccc(O)cc2)CC1 O=S(=O)(N1CCCCCC1)[*:1] O=C(CCc1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(O)cc1
O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(CCc1ccc(cc1)S(=O)(=O)N1CCCCCC1)N1CCN(CC1)[*:1]
CN(C)c1ccc(NC(=O)N2Cc3ccccc3C2)c(C(F)(F)F)c1 FC(F)(F)[*:1] CN(C)c1ccc(NC(=O)N2Cc3ccccc3C2)c(c1)[*:1]
CN(C)c1ccc(NC(=O)N2Cc3ccccc3C2)c(C(F)(F)F)c1 CN(C)[*:1] O=C(Nc1ccc(cc1C(F)(F)F)[*:1])N1Cc2ccccc2C1
COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)CC1 COc1ccccc1[*:1] O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)CC1 C1CC1[*:1] COc1ccccc1N1CCN(CC1)C(=O)CSc1nnc(-c2ccccc2F)n1[*:1]
COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)CC1 Fc1ccccc1[*:1] COc1ccccc1N1CCN(CC1)C(=O)CSc1nnc(n1C1CC1)[*:1]
Cc1ccc(Cn2nccc2NC(=O)c2cnc([C@@H]3CCCO3)s2)o1 Cc1ccc(o1)[*:1] O=C(Nc1ccnn1C[*:1])c1cnc(s1)[C@@H]1CCCO1
Cc1ccc(Cn2nccc2NC(=O)c2cnc([C@@H]3CCCO3)s2)o1 Cc1ccc(C[*:1])o1 O=C(Nc1ccnn1[*:1])c1cnc(s1)[C@@H]1CCCO1
CCOc1cccc2cc(C(=O)/N=c3\sc4cc5c(cc4n3CC(=O)OC)OCCO5)oc12 COC(=O)[*:1] CCOc1cccc2cc(oc12)C(=O)/N=c1\sc2cc3OCCOc3cc2n1C[*:1]
CCOc1cccc2cc(C(=O)/N=c3\sc4cc5c(cc4n3CC(=O)OC)OCCO5)oc12 COC(=O)C[*:1] CCOc1cccc2cc(oc12)C(=O)/N=c1\sc2cc3OCCOc3cc2n1[*:1]
CCOc1cccc2cc(C(=O)/N=c3\sc4cc5c(cc4n3CC(=O)OC)OCCO5)oc12 CCO[*:1] COC(=O)Cn1/c(=N/C(=O)c2cc3cccc(c3o2)[*:1])sc2cc3OCCOc3cc21
C[C@@H](C(=O)[O-])[C@@H](C)n1c(CC#N)nc2ccccc21 O=C([O-])[*:1] C[C@H]([C@H](C)[*:1])n1c(CC#N)nc2ccccc21
C[C@@H](C(=O)[O-])[C@@H](C)n1c(CC#N)nc2ccccc21 N#CC[*:1] C[C@@H](C(=O)[O-])[C@@H](C)n1c(nc2ccccc21)[*:1]
CC[C@H](CSC)NC(=O)NCc1ccccc1 CSC[*:1] CC[C@H](NC(=O)NCc1ccccc1)[*:1]
CC(C)c1ocnc1C[S@](=O)Cc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC(C)c1ocnc1C[S@](=O)Cc1nc(cs1)[*:1]
CC(C)c1ocnc1C[S@](=O)Cc1nc(C(F)(F)F)cs1 CC(C)[*:1] O=[S@](Cc1nc(cs1)C(F)(F)F)Cc1ncoc1[*:1]
COCCn1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O CC(C)(C)[*:1] COCCn1c(nc2ccccc2c1=O)SCC(=O)[*:1]
COCCn1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O CC(C)(C)C(=O)[*:1] COCCn1c(nc2ccccc2c1=O)SC[*:1]
COCCn1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O COCC[*:1] CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
COCCn1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O CC(C)(C)C(=O)C[*:1] COCCn1c(nc2ccccc2c1=O)S[*:1]
COCCn1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O COC[*:1] CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1C[*:1]
CCOc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@H](C)C2)cc1 CCO[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)NNC(=O)c1ccc(cc1)[*:1]
COC(=O)[C@H](NC(=O)Cc1ccc(C)c(O)c1)C(C)(C)C COC(=O)[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](C(C)(C)C)[*:1]
COC(=O)[C@H](NC(=O)Cc1ccc(C)c(O)c1)C(C)(C)C CC(C)(C)[*:1] COC(=O)[C@H](NC(=O)Cc1ccc(C)c(O)c1)[*:1]
CC[C@@H](CS)COc1ccc(Cl)cc1Cl CC[C@@H](CS)[*:1] Clc1ccc(OC[*:1])c(Cl)c1
CCCn1nnnc1CNc1ccccc1Cl CCC[*:1] Clc1ccccc1NCc1nnnn1[*:1]
CN(CCC#N)C(=O)CCN1CCN(c2cccc[nH+]2)CC1 N#CCC[*:1] CN(C(=O)CCN1CCN(CC1)c1cccc[nH+]1)[*:1]
CN(CCC#N)C(=O)CCN1CCN(c2cccc[nH+]2)CC1 N#CC[*:1] CN(C[*:1])C(=O)CCN1CCN(CC1)c1cccc[nH+]1
Cc1ccc(N2C[C@H](C(=O)Nc3ncnn3C)CCC2=O)cc1C Cn1ncnc1[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ncnn3C)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] Cn1ncnc1NC(=O)[C@@H]1CCC(=O)N(C1)[*:1]
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCOC[C@@H]1CCCO1 O=C([O-])[*:1] C[NH2+][C@@]1(CCC[C@@H]1CCOC[C@@H]1CCCO1)[*:1]
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCOC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[NH2+][C@@]1(CCC[C@@H]1CCO[*:1])C(=O)[O-]
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCOC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[NH2+][C@@]1(CCC[C@@H]1CCOC[*:1])C(=O)[O-]
CC(C)Cc1noc(C2(c3ccc(F)cc3)CCOCC2)n1 CC(C)[*:1] Fc1ccc(cc1)C1(CCOCC1)c1nc(C[*:1])no1
CC(C)Cc1noc(C2(c3ccc(F)cc3)CCOCC2)n1 CC(C)C[*:1] Fc1ccc(cc1)C1(CCOCC1)c1nc(no1)[*:1]
CC(C)Cc1noc(C2(c3ccc(F)cc3)CCOCC2)n1 Fc1ccc(cc1)[*:1] CC(C)Cc1noc(n1)C1(CCOCC1)[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)COc2ccccc2Cl)CC1 Clc1ccccc1O[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)C[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)COc2ccccc2Cl)CC1 CC(C)(C)OC(=O)[*:1] O=C(COc1ccccc1Cl)NC1CCC(CC1)[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)COc2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)CO[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)COc2ccccc2Cl)CC1 CC(C)(C)[*:1] O=C(COc1ccccc1Cl)NC1CCC(CC1)C(=O)O[*:1]
COc1cccc(C2=Nc3c(C#N)cnn3[C@@H]2NC2CCCCCC2)c1OC C1CCCC(CC1)N[*:1] COc1cccc(C2=Nc3c(C#N)cnn3[C@H]2[*:1])c1OC
COc1cccc(C2=Nc3c(C#N)cnn3[C@@H]2NC2CCCCCC2)c1OC C1CCCC(CC1)[*:1] COc1cccc(C2=Nc3c(C#N)cnn3[C@@H]2N[*:1])c1OC
CCC1=NN[C@H](N/N=C/[C@@H]2C=NN=C2c2ccc(F)cc2)N1N Fc1ccc(cc1)[*:1] CCC1=NN[C@H](N/N=C/[C@@H]2C=NN=C2[*:1])N1N
CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cnn(c1)[*:1]
CNC(=O)[C@H](C)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] CNC(=O)[*:1] C[C@H](Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[*:1]
CNC(=O)[C@H](C)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNC(=O)[C@H](C)Nc1cc(Cl)c(Cl)cc1[*:1]
CNC(=O)[C@H](C)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] CNC(=O)[C@H](C)[*:1] O=[N+]([O-])c1cc(Cl)c(Cl)cc1N[*:1]
COc1ccccc1N1C[C@@H](C)N(C(=O)Cc2sc(C)nc2C)CC1=O Cc1nc(C)c(s1)[*:1] COc1ccccc1N1C[C@@H](C)N(CC1=O)C(=O)C[*:1]
COc1ccccc1N1C[C@@H](C)N(C(=O)Cc2sc(C)nc2C)CC1=O Cc1nc(C)c(C[*:1])s1 COc1ccccc1N1C[C@@H](C)N(CC1=O)C(=O)[*:1]
COc1ccccc1N1C[C@@H](C)N(C(=O)Cc2sc(C)nc2C)CC1=O COc1ccccc1[*:1] Cc1nc(C)c(CC(=O)N2CC(=O)N(C[C@H]2C)[*:1])s1
COCC[n+]1c(N)c(C(=O)Nc2nccs2)cc2c(=O)n3ccccc3nc21 COCC[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1[*:1])C(=O)Nc1nccs1
COCC[n+]1c(N)c(C(=O)Nc2nccs2)cc2c(=O)n3ccccc3nc21 O=C(Nc1nccs1)[*:1] COCC[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)[*:1]
COCC[n+]1c(N)c(C(=O)Nc2nccs2)cc2c(=O)n3ccccc3nc21 COC[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1C[*:1])C(=O)Nc1nccs1
COCC[n+]1c(N)c(C(=O)Nc2nccs2)cc2c(=O)n3ccccc3nc21 c1csc(n1)[*:1] COCC[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)C(=O)N[*:1]
NC(=O)c1ccc(N2CCN(C(=O)CCCn3ccnn3)CC2)cc1 c1cn(C[*:1])nn1 NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CC[*:1]
NC(=O)c1ccc(N2CCN(C(=O)CCCn3ccnn3)CC2)cc1 NC(=O)[*:1] O=C(CCCn1ccnn1)N1CCN(CC1)c1ccc(cc1)[*:1]
NC(=O)c1ccc(N2CCN(C(=O)CCCn3ccnn3)CC2)cc1 c1cn(nn1)[*:1] NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CCC[*:1]
NC(=O)c1ccc(N2CCN(C(=O)CCCn3ccnn3)CC2)cc1 c1cn(CC[*:1])nn1 NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)C[*:1]
NC(=O)c1ccc(N2CCN(C(=O)CCCn3ccnn3)CC2)cc1 c1cn(CCC[*:1])nn1 NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)[*:1]
N#C[C@@H](CCCCl)c1ccccc1 ClCC[*:1] N#C[C@@H](C[*:1])c1ccccc1
N#C[C@@H](CCCCl)c1ccccc1 ClCCC[*:1] N#C[C@@H](c1ccccc1)[*:1]
C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1[*:1]
Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1C Cc1ccc(cc1C)[*:1] CN1C(=O)NC2(CC[NH+](CC2)CC(=O)N[*:1])C1=O
CCC(CC)CN(CC)C(=O)c1cccnc1N1CCCCC1 CCC(CC)[*:1] CCN(C[*:1])C(=O)c1cccnc1N1CCCCC1
CCC(CC)CN(CC)C(=O)c1cccnc1N1CCCCC1 CCC(CC)C[*:1] CCN(C(=O)c1cccnc1N1CCCCC1)[*:1]
CCC(CC)CN(CC)C(=O)c1cccnc1N1CCCCC1 C1CCN(CC1)[*:1] CCC(CC)CN(CC)C(=O)c1cccnc1[*:1]
CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 CCO[*:1] COc1cccc(c1[*:1])[C@@H]1CC(=O)NC2C[C@H](CC(=O)C=21)c1ccc(cc1)OC(C)C
CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 CC(C)[*:1] CCOc1c(cccc1[C@@H]1CC(=O)NC2C[C@H](CC(=O)C=21)c1ccc(cc1)O[*:1])OC
CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 CC(C)Oc1ccc(cc1)[*:1] CCOc1c(cccc1[C@@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)[*:1])OC
CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 CCOc1c(cccc1[*:1])OC CC(C)Oc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@H]2[*:1]
CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC(C)C)cc1)C2 CC(C)O[*:1] CCOc1c(cccc1[C@@H]1CC(=O)NC2C[C@H](CC(=O)C=21)c1ccc(cc1)[*:1])OC
C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)C1CC1 C[C@H](C1CC1)[*:1] C[C@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)N[*:1]
C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)C1CC1 C1CC1[*:1] C[C@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)N[C@@H](C)[*:1]
CS[C@@H](C)c1cccc(NC(=O)N(C)[C@H](C)c2ccccn2)c1 c1ccc(nc1)[*:1] CS[C@@H](C)c1cccc(c1)NC(=O)N(C)[C@H](C)[*:1]
CS[C@@H](C)c1cccc(NC(=O)N(C)[C@H](C)c2ccccn2)c1 CS[C@@H](C)[*:1] C[C@H](c1ccccn1)N(C)C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1ccc2c([O-])n(Cc3ccccc3)c(=S)nc2c1 c1ccc(cc1)C[*:1] COC(=O)c1ccc2c([O-])n(c(=S)nc2c1)[*:1]
COC(=O)c1ccc2c([O-])n(Cc3ccccc3)c(=S)nc2c1 COC(=O)[*:1] [O-]c1c2ccc(cc2nc(=S)n1Cc1ccccc1)[*:1]
COC(=O)c1ccc2c([O-])n(Cc3ccccc3)c(=S)nc2c1 c1ccc(cc1)[*:1] COC(=O)c1ccc2c([O-])n(C[*:1])c(=S)nc2c1
CC1CCN(C(=O)c2ccccc2NCC(=O)N2[C@@H](C)CCC[C@H]2C)CC1 CC1CCN(CC1)C(=O)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CNc1ccccc1[*:1]
CCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CC[NH+](C)CC1 CCO[*:1] C[NH+]1CCN(CC1)S(=O)(=O)c1cc(ccc1[*:1])N1CCCCS1(=O)=O
CCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CC[NH+](C)CC1 O=S1(=O)CCCCN1[*:1] CCOc1ccc(cc1S(=O)(=O)N1CC[NH+](C)CC1)[*:1]
CCn1nc(C)c(CNC(=O)NCCc2ccc(C)nc2)c1C Cc1ccc(cn1)[*:1] CCn1nc(C)c(CNC(=O)NCC[*:1])c1C
COc1cc(CO)c([N+](=O)[O-])cc1OCC#N N#CCO[*:1] COc1cc(CO)c(cc1[*:1])[N+](=O)[O-]
COc1cc(CO)c([N+](=O)[O-])cc1OCC#N O=[N+]([O-])[*:1] COc1cc(CO)c(cc1OCC#N)[*:1]
COc1cc(CO)c([N+](=O)[O-])cc1OCC#N N#CC[*:1] COc1cc(CO)c(cc1O[*:1])[N+](=O)[O-]
COC[C@H](C)NC(=O)NC[C@@H](C)C[C@@H](C)O COC[C@H](C)[*:1] C[C@H](CNC(=O)N[*:1])C[C@@H](C)O
COC[C@H](C)NC(=O)NC[C@@H](C)C[C@@H](C)O C[C@@H](O)C[*:1] COC[C@H](C)NC(=O)NC[C@@H](C)[*:1]
COC[C@H](C)NC(=O)NC[C@@H](C)C[C@@H](C)O COC[*:1] C[C@H](CNC(=O)N[C@@H](C)[*:1])C[C@@H](C)O
COC[C@H](C)NC(=O)NC[C@@H](C)C[C@@H](C)O C[C@@H](O)[*:1] COC[C@H](C)NC(=O)NC[C@@H](C)C[*:1]
Cc1ccc(C(=O)NNC(=O)NCCCc2c[nH]c3ccccc23)o1 Cc1ccc(o1)[*:1] O=C(NCCCc1c[nH]c2ccccc12)NNC(=O)[*:1]
CC1(C)CC[C@@](C[NH3+])(CCc2ccc([N+](=O)[O-])cc2)[C@H]1O O=[N+]([O-])[*:1] CC1(C)CC[C@@](C[NH3+])(CCc2ccc(cc2)[*:1])[C@H]1O
CNC(=O)c1cccc(CCNC(=O)c2cccc3cc[nH]c23)c1 CNC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])c1cccc2cc[nH]c12
C=Cc1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] C=Cc1ccc(cc1)OC[*:1]
CCCN1C(=O)[C@]2(CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)c2cc(Cl)ccc21 CCC[*:1] Cc1nn(-c2ncnc3[nH]cnc23)c2N=C(O)C[C@]3(C(=O)N(c4ccc(Cl)cc43)[*:1])c12
CCCN1C(=O)[C@]2(CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)c2cc(Cl)ccc21 c1nc(c2nc[nH]c2n1)[*:1] CCCN1C(=O)[C@]2(CC(O)=Nc3c2c(C)nn3[*:1])c2cc(Cl)ccc21
Cc1noc(C)c1C[C@H](C)Nc1ncc(C(F)(F)F)cc1Cl Cc1noc(C)c1[*:1] C[C@@H](C[*:1])Nc1ncc(cc1Cl)C(F)(F)F
Cc1noc(C)c1C[C@H](C)Nc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] Cc1noc(C)c1C[C@H](C)Nc1ncc(cc1Cl)[*:1]
CCC(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccccc1 CCC(=O)N[*:1] Clc1nc(Sc2ccccc2[*:1])n(Cc2ccccc2)n1
CCC(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccccc1 c1ccc(cc1)[*:1] CCC(=O)Nc1ccccc1Sc1nc(Cl)nn1C[*:1]
CCC(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccccc1 c1ccc(cc1)C[*:1] CCC(=O)Nc1ccccc1Sc1nc(Cl)nn1[*:1]
CCc1nsc(N2CCCN(c3cncc(OCC(C)C)n3)CC2)n1 CCc1nsc(n1)[*:1] CC(C)COc1cncc(n1)N1CCCN(CC1)[*:1]
CCc1nsc(N2CCCN(c3cncc(OCC(C)C)n3)CC2)n1 CC(C)[*:1] CCc1nsc(n1)N1CCCN(CC1)c1cncc(n1)OC[*:1]
CCc1nsc(N2CCCN(c3cncc(OCC(C)C)n3)CC2)n1 CC(C)CO[*:1] CCc1nsc(n1)N1CCCN(CC1)c1cncc(n1)[*:1]
CCc1nsc(N2CCCN(c3cncc(OCC(C)C)n3)CC2)n1 CC(C)C[*:1] CCc1nsc(n1)N1CCCN(CC1)c1cncc(n1)O[*:1]
C/[NH+]=C(/NC[C@H]1C[C@@H]1c1ccccc1)N[C@@H]1CC[C@H](SC)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NC[C@H]1C[C@H]1[*:1])N[C@@H]1CC[C@@H](C1)SC
C/[NH+]=C(/NC[C@H]1C[C@@H]1c1ccccc1)N[C@@H]1CC[C@H](SC)C1 CS[C@H]1CC[C@H](C1)[*:1] C/[NH+]=C(/NC[C@H]1C[C@@H]1c1ccccc1)N[*:1]
CC(C)(CNS(=O)(=O)CCN1CC[NH2+]CC1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNS(=O)(=O)CCN1CC[NH2+]CC1)[*:1]
CCn1c2ccccc2c2cc(NC(=O)C(=O)N[C@H](C)CSC)ccc21 CSC[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)C(=O)N[C@H](C)[*:1]
CCCNC(=O)C(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 CCC[*:1] O=C(N[*:1])C(=O)N1CCC[C@@H](C1)N1CCN(CC1)c1ccc(F)cc1
CCCNC(=O)C(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)[*:1] CCCNC(=O)C(=O)N1CCC[C@@H](C1)N1CCN(CC1)[*:1]
CCC1(CO)CC[NH+](Cc2cn(-c3ccccc3)nc2C)CC1 c1ccc(cc1)[*:1] CCC1(CO)CC[NH+](CC1)Cc1cn(nc1C)[*:1]
Cc1cccnc1C[C@@H](Cl)CCC1CCCC1 C1CCC(C1)[*:1] Cc1cccnc1C[C@@H](Cl)CC[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)NNC(=O)c1cc(Br)c[nH]1 Brc1c[nH]c(c1)[*:1] CC(C)S(=O)(=O)c1ccccc1C(=O)NNC(=O)[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)NNC(=O)c1cc(Br)c[nH]1 CC(C)S(=O)(=O)[*:1] O=C(NNC(=O)c1ccccc1[*:1])c1cc(Br)c[nH]1
CC(C)S(=O)(=O)c1ccccc1C(=O)NNC(=O)c1cc(Br)c[nH]1 CC(C)[*:1] O=C(NNC(=O)c1ccccc1S(=O)(=O)[*:1])c1cc(Br)c[nH]1
COc1ccc([C@@H]2CC[NH2+]C[C@@H]2c2ccccc2)cc1C c1ccc(cc1)[*:1] COc1ccc(cc1C)[C@@H]1CC[NH2+]C[C@H]1[*:1]
COc1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 Fc1ccc(cc1)[*:1] COc1ccc2nc(NS(=O)(=O)[*:1])sc2c1
C=CCOc1ccc(/C=C/C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 C=CC[*:1] Cc1c(NC(=O)/C=C/c2ccc(cc2)O[*:1])c(=O)n(-c2ccccc2)n1C
C=CCOc1ccc(/C=C/C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 c1ccc(cc1)[*:1] C=CCOc1ccc(/C=C/C(=O)Nc2c(C)n(C)n(c2=O)[*:1])cc1
C=CCOc1ccc(/C=C/C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 C=CCO[*:1] Cc1c(NC(=O)/C=C/c2ccc(cc2)[*:1])c(=O)n(-c2ccccc2)n1C
O=C(CC[C@H]1CCCO1)NNC(=O)c1ccccc1Br C1CO[C@H](C1)[*:1] O=C(CC[*:1])NNC(=O)c1ccccc1Br
O=C(CC[C@H]1CCCO1)NNC(=O)c1ccccc1Br C1CO[C@H](C1)C[*:1] O=C(C[*:1])NNC(=O)c1ccccc1Br
Cc1cn2c3c(=O)n(CC[NH+]4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1cn2c3c(=O)n(CC[NH+]4CCCCC4)c(=O)n(C)c3nc2n1[*:1]
CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 CNC(=O)[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1nsnc1Cn1nnc(C(=O)Nc2cccc(C(N)=O)c2)c1C NC(=O)[*:1] Cc1nsnc1Cn1nnc(C(=O)Nc2cccc(c2)[*:1])c1C
Cc1nsnc1Cn1nnc(C(=O)Nc2cccc(C(N)=O)c2)c1C Cc1nsnc1[*:1] Cc1c(nnn1C[*:1])C(=O)Nc1cccc(c1)C(N)=O
Cc1nsnc1Cn1nnc(C(=O)Nc2cccc(C(N)=O)c2)c1C Cc1nsnc1C[*:1] Cc1c(nnn1[*:1])C(=O)Nc1cccc(c1)C(N)=O
CC[C@H](Oc1ccccc1F)C(=O)N(CC)Cc1ccccn1 Fc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)N(CC)Cc1ccccn1
CC[C@H](Oc1ccccc1F)C(=O)N(CC)Cc1ccccn1 c1ccc(C[*:1])nc1 CC[C@H](Oc1ccccc1F)C(=O)N(CC)[*:1]
CC[C@H](Oc1ccccc1F)C(=O)N(CC)Cc1ccccn1 c1ccc(nc1)[*:1] CC[C@H](Oc1ccccc1F)C(=O)N(CC)C[*:1]
CCOc1ccccc1C(=O)NCC(=O)N[C@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] CCOc1ccccc1C(=O)NCC(=O)N[C@H](C)[*:1]
CCOc1ccccc1C(=O)NCC(=O)N[C@H](C)c1c(C)noc1C CCO[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)CNC(=O)c1ccccc1[*:1]
COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 COc1ccc(cc1)[*:1] O[C@H](CO[*:1])C[NH+]1CCN(CC1)c1ccccc1Cl
COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)OC[C@@H](O)C[NH+]1CCN(CC1)[*:1]
Cc1cc(N2CCCC[C@@H]2CO)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(nc(n1)[*:1])N1CCCC[C@@H]1CO
COc1cccc2sc(NC(=O)CCc3ccco3)nc12 c1coc(c1)CC[*:1] COc1cccc2sc(nc12)NC(=O)[*:1]
COc1cccc2sc(NC(=O)CCc3ccco3)nc12 c1coc(c1)[*:1] COc1cccc2sc(nc12)NC(=O)CC[*:1]
COc1cccc2sc(NC(=O)CCc3ccco3)nc12 c1coc(c1)C[*:1] COc1cccc2sc(nc12)NC(=O)C[*:1]
CO[C@@H](C)CN(C)C(=O)c1oc2cc(C)ccc2c1C CO[C@@H](C)[*:1] Cc1ccc2c(C)c(oc2c1)C(=O)N(C)C[*:1]
CSCCCNC(=O)Cc1c2c(n(C(C)C)c1C)CC(C)(C)CC2=O CSCCC[*:1] Cc1c(CC(=O)N[*:1])c2C(=O)CC(C)(C)Cc2n1C(C)C
CSCCCNC(=O)Cc1c2c(n(C(C)C)c1C)CC(C)(C)CC2=O CC(C)[*:1] CSCCCNC(=O)Cc1c2C(=O)CC(C)(C)Cc2n(c1C)[*:1]
CSCCCNC(=O)Cc1c2c(n(C(C)C)c1C)CC(C)(C)CC2=O CSC[*:1] Cc1c(CC(=O)NCC[*:1])c2C(=O)CC(C)(C)Cc2n1C(C)C
CSCCCNC(=O)Cc1c2c(n(C(C)C)c1C)CC(C)(C)CC2=O CSCCCNC(=O)[*:1] Cc1c(C[*:1])c2C(=O)CC(C)(C)Cc2n1C(C)C
CSCCCNC(=O)Cc1c2c(n(C(C)C)c1C)CC(C)(C)CC2=O CSCC[*:1] Cc1c(CC(=O)NC[*:1])c2C(=O)CC(C)(C)Cc2n1C(C)C
Cc1cc(F)cc(NCc2ccc(/C(N)=N/O)cc2)c1 N/C(=N\O)[*:1] Cc1cc(F)cc(c1)NCc1ccc(cc1)[*:1]
CCc1ccc(C[C@@H]([NH3+])CC(C)(C)C)nc1 CC(C)(C)C[*:1] CCc1ccc(C[C@@H]([NH3+])[*:1])nc1
CCc1ccc(C[C@@H]([NH3+])CC(C)(C)C)nc1 CC(C)(C)[*:1] CCc1ccc(C[C@@H]([NH3+])C[*:1])nc1
CCOC(=O)c1ccc(NC(=O)c2c([O-])c3sccc3[nH]c2=O)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1c([O-])c2sccc2[nH]c1=O
O=C(NCCS(=O)(=O)NCc1ccc(F)cc1)c1ccc2c(c1)OCO2 Fc1ccc(cc1)C[*:1] O=C(NCCS(=O)(=O)N[*:1])c1ccc2OCOc2c1
O=C(NCCS(=O)(=O)NCc1ccc(F)cc1)c1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] O=C(NCCS(=O)(=O)NC[*:1])c1ccc2OCOc2c1
CC(=O)c1ccnc(N2CCC(C(N)=O)CC2)c1 NC(=O)[*:1] CC(=O)c1ccnc(c1)N1CCC(CC1)[*:1]
CC(=O)c1ccnc(N2CCC(C(N)=O)CC2)c1 CC(=O)[*:1] NC(=O)C1CCN(CC1)c1cc(ccn1)[*:1]
NN1C(SCC(=O)Nc2ccc(Cl)cc2)=NN[C@@H]1[C@@H]1N=NC2=C1CCC2 Clc1ccc(cc1)[*:1] NN1C(=NN[C@@H]1[C@@H]1N=NC2CCCC=21)SCC(=O)N[*:1]
COc1cc(OC)cc(C(=O)C[C@H](C)CC(=O)[O-])c1 O=C([O-])[*:1] COc1cc(cc(c1)C(=O)C[C@H](C)C[*:1])OC
COc1cc(OC)cc(C(=O)C[C@H](C)CC(=O)[O-])c1 O=C([O-])C[*:1] COc1cc(cc(c1)C(=O)C[C@H](C)[*:1])OC
O=C(OCc1ccccc1)N1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(OCc1ccccc1)N1CCN(CC1)C(=S)N[*:1]
O=C(OCc1ccccc1)N1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 c1ccc(cc1)C[*:1] O=C(O[*:1])N1CCN(CC1)C(=S)Nc1ccc(Cl)cc1Cl
O=C(OCc1ccccc1)N1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 c1ccc(cc1)[*:1] O=C(OC[*:1])N1CCN(CC1)C(=S)Nc1ccc(Cl)cc1Cl
CC(C)Sc1ccccc1C(=O)NCCCn1ccc2ccccc21 CC(C)S[*:1] O=C(NCCCn1ccc2ccccc21)c1ccccc1[*:1]
CC(C)Sc1ccccc1C(=O)NCCCn1ccc2ccccc21 CC(C)[*:1] O=C(NCCCn1ccc2ccccc21)c1ccccc1S[*:1]
CCc1ccccc1NC(=O)CN1C(=O)C(C)(C)c2cc(C)ccc21 CCc1ccccc1[*:1] Cc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)N[*:1]
COc1ccc([C@@H](CNc2nn3cnnc3c3ccccc23)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] c1ccc2c(c1)c(nn1cnnc21)NC[C@@H]([NH+]1CCCC1)[*:1]
COCCN(C)c1cncc(C[NH2+]C2CC2)n1 COC[*:1] CN(C[*:1])c1cncc(C[NH2+]C2CC2)n1
COCCN(C)c1cncc(C[NH2+]C2CC2)n1 COCC[*:1] CN(c1cncc(C[NH2+]C2CC2)n1)[*:1]
COCCN(C)c1cncc(C[NH2+]C2CC2)n1 C1CC1[*:1] COCCN(C)c1cncc(C[NH2+][*:1])n1
COc1cc(CNC(=O)c2c(N)n(-c3ccc(C)cc3)c3nc4ccccc4nc23)cc(OC)c1 COc1cc(cc(c1)[*:1])OC Cc1ccc(cc1)-n1c(N)c(C(=O)NC[*:1])c2nc3ccccc3nc21
COc1cc(CNC(=O)c2c(N)n(-c3ccc(C)cc3)c3nc4ccccc4nc23)cc(OC)c1 COc1cc(cc(c1)OC)C[*:1] Cc1ccc(cc1)-n1c(N)c(C(=O)N[*:1])c2nc3ccccc3nc21
COc1cc(CNC(=O)c2c(N)n(-c3ccc(C)cc3)c3nc4ccccc4nc23)cc(OC)c1 Cc1ccc(cc1)[*:1] COc1cc(cc(c1)OC)CNC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
CCc1ccccc1N1C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)CC1=O CCc1ccccc1[*:1] CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCc1ccccc1N1C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)CC1=O CC(C)(C)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)N[C@H](C#N)[*:1]
COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1OC Clc1cc(Cl)cc(c1)[*:1] COc1ccc(cc1OC)-c1nnc(o1)SCC(=O)N[*:1]
COc1ccccc1CN1CCN(C(=O)c2cc(C)n(C)n2)CC1 COc1ccccc1[*:1] Cc1cc(nn1C)C(=O)N1CCN(CC1)C[*:1]
COc1ccccc1CN1CCN(C(=O)c2cc(C)n(C)n2)CC1 Cc1cc(nn1C)[*:1] COc1ccccc1CN1CCN(CC1)C(=O)[*:1]
C#CCOc1ccc(NC(=O)N(CC)C2CCCC2)cc1 C#CCO[*:1] CCN(C(=O)Nc1ccc(cc1)[*:1])C1CCCC1
C#CCOc1ccc(NC(=O)N(CC)C2CCCC2)cc1 C1CCC(C1)[*:1] C#CCOc1ccc(cc1)NC(=O)N(CC)[*:1]
C#CCOc1ccc(NC(=O)N(CC)C2CCCC2)cc1 C#CC[*:1] CCN(C(=O)Nc1ccc(cc1)O[*:1])C1CCCC1
O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(NS(=O)(=O)c2cccs2)cc1 O=S(=O)(N[*:1])c1cccs1 O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(cc1)[*:1]
O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(NS(=O)(=O)c2cccs2)cc1 c1csc(c1)[*:1] O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(cc1)NS(=O)(=O)[*:1]
CC(C)[C@H](CO)n1cc(C#N)c([O-])nc1=O CC(C)[*:1] N#Cc1cn(c(=O)nc1[O-])[C@@H](CO)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 c1nnnn1[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
CCc1ccc([C@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)s1 C1CC1[*:1] CCc1ccc(s1)[C@H](C)[NH2+]C[C@H]1CN(CCO1)[*:1]
CN(C)c1c(Cl)cccc1NC(=O)c1cncc(Br)c1 CN(C)[*:1] O=C(Nc1cccc(Cl)c1[*:1])c1cncc(Br)c1
O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 FC(F)(F)[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)Cc1nc2ccccc2c(=O)[nH]1
O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C(N1CCN(CC1)Cc1nc2ccccc2c(=O)[nH]1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1ccccc1 N#Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccccc1-c1ccccc1
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1[*:1]
COc1ccc(N2C[C@H](C(=O)NCC3CCN(c4ncccn4)CC3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)c1ncccn1)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@H](C(=O)NCC3CCN(c4ncccn4)CC3)CC2=O)cc1 c1cnc(nc1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCC1CCN(CC1)[*:1]
Cc1ccc2ncc(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)n2c1 O=C1CNC(=O)N1C[*:1] Cc1ccc2ncc(C(=O)Nc3cccc(c3)[*:1])n2c1
Cc1ccc2ncc(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)n2c1 O=C1CNC(=O)N1[*:1] Cc1ccc2ncc(C(=O)Nc3cccc(c3)C[*:1])n2c1
COC(=O)C1(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)CCSCC1 COC(=O)[*:1] O=C(NC1(CCSCC1)[*:1])[C@H]1C[C@@H]2C=C[C@H]1C2
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccnc1)N(CC(C)C)C3=O CC(C)C[*:1] Cc1cc2oc3C(=O)N([C@@H](c4cccnc4)c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccnc1)N(CC(C)C)C3=O c1cncc(c1)[*:1] Cc1cc2oc3C(=O)N(CC(C)C)[C@@H](c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccnc1)N(CC(C)C)C3=O CC(C)[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@@H](c4cccnc4)c3c(=O)c2cc1C
COC[C@@H](C)Nc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl COC[C@@H](C)[*:1] O=C([O-])c1ccccc1-n1ncc(N[*:1])c(Cl)c1=O
COC[C@@H](C)Nc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl COC[C@@H](C)N[*:1] O=C([O-])c1ccccc1-n1ncc(c(Cl)c1=O)[*:1]
COC[C@@H](C)Nc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl O=C([O-])[*:1] COC[C@@H](C)Nc1cnn(-c2ccccc2[*:1])c(=O)c1Cl
COC[C@@H](C)Nc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl COC[*:1] C[C@@H](Nc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl)[*:1]
Cc1ccc(N(CC(=O)[O-])C(=O)C[C@H]2C[NH2+]CCO2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])CN(C(=O)C[C@H]1C[NH2+]CCO1)[*:1]
Cc1ccc(N(CC(=O)[O-])C(=O)C[C@H]2C[NH2+]CCO2)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)N(C(=O)C[C@H]1C[NH2+]CCO1)[*:1]
Cc1ccc(N(CC(=O)[O-])C(=O)C[C@H]2C[NH2+]CCO2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)N(C[*:1])C(=O)C[C@H]1C[NH2+]CCO1
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCN(C(=O)c2ccc(cc2)[N+](=O)[O-])[C@H]1[*:1]
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C(C)C)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCN(C(=O)[*:1])[C@@H]1C(C)C
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C(C)C)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCN(C(=O)c2ccc(cc2)[*:1])[C@@H]1C(C)C
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H]1N(CCCN1S(=O)(=O)[*:1])C(=O)c1ccc(cc1)[N+](=O)[O-]
CC(C)[NH+](C)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] Fc1ccc(cc1)[*:1] CC(C)[NH+](C)CCNC(=O)c1nn(cc1[O-])[*:1]
CC(C)[NH+](C)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] CC(C)[*:1] C[NH+](CCNC(=O)c1nn(cc1[O-])-c1ccc(F)cc1)[*:1]
C[C@@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)s2)C[C@H]1C NS(=O)(=O)[*:1] C[C@@H]1CN(C[C@H]1C)C(=O)Cc1ccc(s1)[*:1]
O=C(Cn1cnc2ccsc2c1=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 C1CCc2sc(nc2C1)[*:1] O=C(Cn1cnc2ccsc2c1=O)N(Cc1ccccc1)[*:1]
O=C(Cn1cnc2ccsc2c1=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 c1ccc(cc1)[*:1] O=C(Cn1cnc2ccsc2c1=O)N(C[*:1])c1nc2CCCCc2s1
O=C(Cn1cnc2ccsc2c1=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 O=c1c2sccc2ncn1[*:1] O=C(C[*:1])N(Cc1ccccc1)c1nc2CCCCc2s1
O=C(Cn1cnc2ccsc2c1=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 c1ccc(cc1)C[*:1] O=C(Cn1cnc2ccsc2c1=O)N(c1nc2CCCCc2s1)[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(cc1)[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])[NH2+][C@H](C)c1ccc(cc1)-c1ccncc1
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 CCS(=O)(=O)C[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1ccc(cc1)-c1ccncc1
CCOc1ccccc1-n1nnnc1SCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 CCO[*:1] O=C(CSc1nnnn1-c1ccccc1[*:1])N1CCC[C@H]1c1nc2ccccc2s1
CCOc1ccccc1-n1nnnc1SCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 CCOc1ccccc1[*:1] O=C(CSc1nnnn1[*:1])N1CCC[C@H]1c1nc2ccccc2s1
CCOc1ccccc1-n1nnnc1SCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] CCOc1ccccc1-n1nnnc1SCC(=O)N1CCC[C@@H]1[*:1]
CC(C)(C)CC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 CC(C)(C)[*:1] O=C(C[*:1])Nc1ccc(cc1)C[C@H]1NC(=O)NC1=O
CC(C)(C)CC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 CC(C)(C)C[*:1] O=C1NC(=O)[C@@H](Cc2ccc(cc2)NC(=O)[*:1])N1
CC(C)[C@@H]([NH3+])CC[C@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](CC[C@H]([NH3+])[*:1])C1
CC(C)[C@@H]([NH3+])CC[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC(C)[C@@H]([NH3+])CC[C@H]1CCC[C@H](C1)[*:1]
CN(CCc1cccs1)C(=O)N[C@H]1CCCN(c2ccccc2)C1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)N[C@H]1CCCN(C1)c1ccccc1
CN(CCc1cccs1)C(=O)N[C@H]1CCCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CN(CCc1cccs1)C(=O)N[C@H]1CCCN(C1)[*:1]
CN(CCc1cccs1)C(=O)N[C@H]1CCCN(c2ccccc2)C1 c1csc(c1)CC[*:1] CN(C(=O)N[C@H]1CCCN(C1)c1ccccc1)[*:1]
CN(CCc1cccs1)C(=O)N[C@H]1CCCN(c2ccccc2)C1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)N[C@H]1CCCN(C1)c1ccccc1
O=C(c1cnc(-c2cccs2)s1)N1CCCC[C@@H]1CCO c1csc(c1)[*:1] O=C(c1cnc(s1)[*:1])N1CCCC[C@@H]1CCO
O=C(c1cnc(-c2cccs2)s1)N1CCCC[C@@H]1CCO OCC[*:1] O=C(c1cnc(s1)-c1cccs1)N1CCCC[C@H]1[*:1]
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C1CCC(F)(F)CC1 Oc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)C(=O)C1CCC(F)(F)CC1
CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 CC(=O)[*:1] C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(cc2)[*:1])o1
C[C@@H]([NH2+]CC1(O)CCOCC1)c1nc2ccccc2n1C(F)F OC1(CCOCC1)[*:1] C[C@@H]([NH2+]C[*:1])c1nc2ccccc2n1C(F)F
C[C@@H]([NH2+]CC1(O)CCOCC1)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@@H]([NH2+]CC1(O)CCOCC1)c1nc2ccccc2n1[*:1]
Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ncccc1[O-] Cc1c(Cl)cccc1[*:1] O=C(CSc1nccn1[*:1])Nc1ncccc1[O-]
Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ncccc1[O-] [O-]c1cccnc1[*:1] Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[*:1]
Cc1cocc1C(=O)N1N=C(CC(C)C)C[C@@]1(O)C(F)(F)F CC(C)[*:1] Cc1cocc1C(=O)N1N=C(C[C@@]1(O)C(F)(F)F)C[*:1]
Cc1cocc1C(=O)N1N=C(CC(C)C)C[C@@]1(O)C(F)(F)F Cc1cocc1[*:1] CC(C)CC1C[C@](O)(N(N=1)C(=O)[*:1])C(F)(F)F
Cc1cocc1C(=O)N1N=C(CC(C)C)C[C@@]1(O)C(F)(F)F CC(C)C[*:1] Cc1cocc1C(=O)N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
Cc1cocc1C(=O)N1N=C(CC(C)C)C[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] Cc1cocc1C(=O)N1N=C(CC(C)C)C[C@]1(O)[*:1]
C/C(Cl)=C/Cn1c(N(C)C)nc2c1c(=O)n(C)c(=O)n2C C/C(Cl)=C/C[*:1] CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
C/C(Cl)=C/Cn1c(N(C)C)nc2c1c(=O)n(C)c(=O)n2C CN(C)[*:1] C/C(Cl)=C/Cn1c(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
C/C(Cl)=C/Cn1c(N(C)C)nc2c1c(=O)n(C)c(=O)n2C CC(Cl)=C[*:1] CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
Cc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 c1cc2OCOc2cc1C[*:1] Cc1ccc(cc1)S(=O)(=O)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)[*:1]
Cc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)CN(Cc1ccc2OCOc2c1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)S(=O)(=O)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[*:1]
CCc1ccc([C@H](C)C(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 NC(=O)CC[*:1] CCc1ccc(cc1)[C@H](C)C(=O)N(c1ccc(F)cc1)[*:1]
CCc1ccc([C@H](C)C(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@H](C)C(=O)N(CCC(N)=O)[*:1]
CCc1ccc([C@H](C)C(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 CCc1ccc(cc1)[*:1] C[C@H](C(=O)N(CCC(N)=O)c1ccc(F)cc1)[*:1]
CCc1ccc([C@H](C)C(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 NC(=O)C[*:1] CCc1ccc(cc1)[C@H](C)C(=O)N(C[*:1])c1ccc(F)cc1
CCc1ccc([C@H](C)C(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 NC(=O)[*:1] CCc1ccc(cc1)[C@H](C)C(=O)N(CC[*:1])c1ccc(F)cc1
COc1ncccc1C(=O)N1CCC[C@H]1Cn1nc(C)cc1C Cc1cc(C)n(n1)[*:1] COc1ncccc1C(=O)N1CCC[C@H]1C[*:1]
O=C(CNC(=O)Nc1ccc(-c2cc[nH]n2)cc1)Nc1ccc(F)cc1 c1cc(n[nH]1)[*:1] O=C(CNC(=O)Nc1ccc(cc1)[*:1])Nc1ccc(F)cc1
O=C(CNC(=O)Nc1ccc(-c2cc[nH]n2)cc1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNC(=O)Nc1ccc(cc1)-c1cc[nH]n1)N[*:1]
C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1nnc(o1)[*:1]
C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1nnc(-c2ccccc2)o1 Clc1ccccc1[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1nnc(o1)-c1ccccc1
Cc1ccc(Cl)c(NC(=O)COC(=O)/C=C/c2cccc3cccnc23)c1Cl Cc1ccc(Cl)c(c1Cl)[*:1] O=C(COC(=O)/C=C/c1cccc2cccnc12)N[*:1]
CN(Cc1ccccc1)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 c1csc(c1)[*:1] CN(Cc1ccccc1)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1[*:1]
CN(Cc1ccccc1)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 c1ccc(cc1)C[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)N(C)[*:1])[C@H]1c1cccs1
CN(Cc1ccccc1)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1
Cc1sc2nc(C[NH+]3CCCC3)nc(Sc3nnnn3C)c2c1C Cn1nnnc1[*:1] Cc1sc2nc(C[NH+]3CCCC3)nc(S[*:1])c2c1C
Cc1sc2nc(C[NH+]3CCCC3)nc(Sc3nnnn3C)c2c1C Cn1nnnc1S[*:1] Cc1sc2nc(C[NH+]3CCCC3)nc(c2c1C)[*:1]
CO[C@@]1(C)C[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1(C)C NS(=O)(=O)[*:1] CO[C@@]1(C)C[C@H](NC(=O)c2ccc(o2)[*:1])C1(C)C
Cc1ccc(C)c(OCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 Cc1ccc(C)c(c1)[*:1] O=C(CO[*:1])NNC(=O)C12CC3CC(CC(C3)C1)C2
CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)[*:1]
CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] CCN(C(=O)[C@@H](C)NC(=O)O[*:1])c1ccccc1
N/C(=N/O)[C@H]1CN(CCN2CCOCC2)CCO1 C1CN(CCO1)[*:1] N/C(=N/O)[C@H]1CN(CCO1)CC[*:1]
N/C(=N/O)[C@H]1CN(CCN2CCOCC2)CCO1 N/C(=N/O)[*:1] C1CN(CCO1)CCN1CCO[C@H](C1)[*:1]
[NH3+][C@]1(Cc2cc(F)cc(Br)c2)CCC[C@@H](C2CC2)C1 C1CC1[*:1] [NH3+][C@@]1(CCC[C@@H](C1)[*:1])Cc1cc(F)cc(Br)c1
O=C([O-])CSC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 O=C([O-])[*:1] O=C(NC(=S)SC[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C([O-])CSC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C([O-])CSC(=S)NC(=O)c1ccc(cc1)[*:1]
O=C([O-])CSC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 O=C([O-])C[*:1] O=C(NC(=S)S[*:1])c1ccc(cc1)[N+](=O)[O-]
NC(=O)C1CCN(c2[nH+]cccc2CNc2nc3ccccc3s2)CC1 NC(=O)[*:1] c1c[nH+]c(c(c1)CNc1nc2ccccc2s1)N1CCC(CC1)[*:1]
Cc1ccc(-n2nnc(C(=O)NCc3cccs3)c2N)cc1Cl c1csc(c1)C[*:1] Cc1ccc(cc1Cl)-n1nnc(C(=O)N[*:1])c1N
Cc1ccc(-n2nnc(C(=O)NCc3cccs3)c2N)cc1Cl c1csc(c1)[*:1] Cc1ccc(cc1Cl)-n1nnc(C(=O)NC[*:1])c1N
CCN1C=C(C(=O)OCc2ccc(F)cc2)C(C)=NS1(=O)=O Fc1ccc(cc1)[*:1] CCN1C=C(C(=O)OC[*:1])C(C)=NS1(=O)=O
COc1ccc2oc(=O)cc(C[NH+](Cc3ccc(C)cc3)CC(C)C)c2c1 Cc1ccc(cc1)[*:1] COc1ccc2oc(=O)cc(C[NH+](CC(C)C)C[*:1])c2c1
COc1ccc2oc(=O)cc(C[NH+](Cc3ccc(C)cc3)CC(C)C)c2c1 Cc1ccc(cc1)C[*:1] COc1ccc2oc(=O)cc(C[NH+](CC(C)C)[*:1])c2c1
COc1ccc2oc(=O)cc(C[NH+](Cc3ccc(C)cc3)CC(C)C)c2c1 CC(C)[*:1] COc1ccc2oc(=O)cc(C[NH+](Cc3ccc(C)cc3)C[*:1])c2c1
CC(C)Oc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cn1 CC(C)O[*:1] N#C[C@H](C(=O)c1ccc(nc1)[*:1])c1ccc(cn1)C(F)(F)F
CC(C)Oc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cn1 FC(F)(F)[*:1] CC(C)Oc1ccc(cn1)C(=O)[C@@H](C#N)c1ccc(cn1)[*:1]
CC(C)Oc1ccc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cn1 CC(C)[*:1] N#C[C@H](C(=O)c1ccc(nc1)O[*:1])c1ccc(cn1)C(F)(F)F
CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)ccc1C CCNC(=O)[*:1] CC(=O)Nc1ccc(cc1)NS(=O)(=O)c1ccc(C)c(c1)[*:1]
CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)ccc1C CC(=O)N[*:1] CCNC(=O)c1cc(ccc1C)S(=O)(=O)Nc1ccc(cc1)[*:1]
COC(=O)C[C@@H](C)NC(=O)Nc1cc(F)c(F)c(F)c1 COC(=O)[*:1] C[C@H](C[*:1])NC(=O)Nc1cc(F)c(F)c(F)c1
COC(=O)C[C@@H](C)NC(=O)Nc1cc(F)c(F)c(F)c1 COC(=O)C[*:1] C[C@@H](NC(=O)Nc1cc(F)c(F)c(F)c1)[*:1]
FC(F)c1nnc2ccc(NCc3cn4ccsc4n3)nn12 FC(F)[*:1] c1cn2cc(CNc3ccc4nnc(n4n3)[*:1])nc2s1
COCc1cc(CNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)n[nH]1 COC[*:1] O=c1[nH]c(nc2COc3ccccc3Cc21)NCc1cc([nH]n1)[*:1]
COCc1cc(CNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)n[nH]1 COCc1cc(n[nH]1)[*:1] O=c1[nH]c(nc2COc3ccccc3Cc21)NC[*:1]
C[C@@H](CNC(=O)N[C@@H](C(N)=O)c1ccccc1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@@H](C(N)=O)[*:1])N(C)c1ccccc1
C[C@@H](CNC(=O)N[C@@H](C(N)=O)c1ccccc1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@@H](C(N)=O)c1ccccc1)N(C)[*:1]
C[C@@H](CNC(=O)N[C@@H](C(N)=O)c1ccccc1)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@H](CNC(=O)N[C@@H](C(N)=O)c1ccccc1)[*:1]
C[C@@H](CNC(=O)N[C@@H](C(N)=O)c1ccccc1)N(C)c1ccccc1 NC(=O)[*:1] C[C@@H](CNC(=O)N[C@@H](c1ccccc1)[*:1])N(C)c1ccccc1
Cc1csc(NC(=O)[C@@H](C)CCc2cccc(F)c2)n1 Cc1csc(n1)[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cn[nH]c1C Cc1[nH]ncc1[*:1] CCCN(Cc1ccc(C#N)cc1)C(=O)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cn[nH]c1C CCC[*:1] Cc1[nH]ncc1C(=O)N(Cc1ccc(C#N)cc1)[*:1]
CC(C)[NH2+]Cc1cc(F)ccc1N1CCC(C(N)=O)CC1 NC(=O)[*:1] CC(C)[NH2+]Cc1cc(F)ccc1N1CCC(CC1)[*:1]
CC(C)[NH2+]Cc1cc(F)ccc1N1CCC(C(N)=O)CC1 CC(C)[*:1] NC(=O)C1CCN(CC1)c1ccc(F)cc1C[NH2+][*:1]
O=C(CNS(=O)(=O)c1ccccc1Cl)NCc1ccco1 c1coc(c1)[*:1] O=C(CNS(=O)(=O)c1ccccc1Cl)NC[*:1]
O=C(CNS(=O)(=O)c1ccccc1Cl)NCc1ccco1 c1coc(c1)C[*:1] O=C(CNS(=O)(=O)c1ccccc1Cl)N[*:1]
O=C(CNS(=O)(=O)c1ccccc1Cl)NCc1ccco1 Clc1ccccc1[*:1] O=C(CNS(=O)(=O)[*:1])NCc1ccco1
CN(CCc1ccccn1)C(=O)N[C@H]1CCC[C@@H](C2CC2)C1 C1CC1[*:1] CN(CCc1ccccn1)C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CN(CCc1ccccn1)C(=O)N[C@H]1CCC[C@@H](C2CC2)C1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)N[C@H]1CCC[C@H](C1)C1CC1
CN(CCc1ccccn1)C(=O)N[C@H]1CCC[C@@H](C2CC2)C1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)N[C@H]1CCC[C@H](C1)C1CC1
CCCc1nc(C(=O)NCCN2CC[NH2+]CC2)n[nH]1 CCC[*:1] O=C(NCCN1CC[NH2+]CC1)c1n[nH]c(n1)[*:1]
O=C1COc2ccc(C(=O)COC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2N1 O=S(=O)(N1CCCCCC1)[*:1] O=C1COc2ccc(cc2N1)C(=O)COC(=O)c1ccc(cc1)[*:1]
O=C1COc2ccc(C(=O)COC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2N1 O=C1COc2ccc(cc2N1)[*:1] O=C(OCC(=O)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCCC1
N#Cc1c(-c2ccc(C(F)(F)F)cc2)nn(-c2ccc(C(F)(F)F)cn2)c1N FC(F)(F)[*:1] N#Cc1c(nn(-c2ccc(cn2)C(F)(F)F)c1N)-c1ccc(cc1)[*:1]
N#Cc1c(-c2ccc(C(F)(F)F)cc2)nn(-c2ccc(C(F)(F)F)cn2)c1N FC(F)(F)[*:1] N#Cc1c(nn(-c2ccc(cn2)[*:1])c1N)-c1ccc(cc1)C(F)(F)F
Cc1nnc(-c2ccc(NC(=O)C(=O)N3CCOC4(CCCC4)C3)cc2)o1 Cc1nnc(o1)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CCOC2(CCCC2)C1
Clc1ccccc1CN1CCO[C@@H](CSc2nnnn2C2CCCC2)C1 Clc1ccccc1[*:1] C1CCC(C1)n1nnnc1SC[C@H]1CN(CCO1)C[*:1]
Clc1ccccc1CN1CCO[C@@H](CSc2nnnn2C2CCCC2)C1 Clc1ccccc1C[*:1] C1CCC(C1)n1nnnc1SC[C@H]1CN(CCO1)[*:1]
Clc1ccccc1CN1CCO[C@@H](CSc2nnnn2C2CCCC2)C1 C1CCC(C1)[*:1] Clc1ccccc1CN1CCO[C@@H](CSc2nnnn2[*:1])C1
Cc1noc(C)c1CN(C)S(=O)(=O)/C=C/c1cccc(Br)c1 Cc1noc(C)c1[*:1] CN(C[*:1])S(=O)(=O)/C=C/c1cccc(Br)c1
Cc1noc(C)c1CN(C)S(=O)(=O)/C=C/c1cccc(Br)c1 Brc1cccc(c1)[*:1] Cc1noc(C)c1CN(C)S(=O)(=O)C=C[*:1]
COc1cccc(-c2c(C(=O)[O-])nnn2Cc2ccc(OC(F)(F)F)cc2)c1 COc1cccc(c1)[*:1] O=C([O-])c1nnn(Cc2ccc(cc2)OC(F)(F)F)c1[*:1]
COc1cccc(-c2c(C(=O)[O-])nnn2Cc2ccc(OC(F)(F)F)cc2)c1 FC(F)(F)O[*:1] COc1cccc(c1)-c1c(nnn1Cc1ccc(cc1)[*:1])C(=O)[O-]
COc1cccc(-c2c(C(=O)[O-])nnn2Cc2ccc(OC(F)(F)F)cc2)c1 FC(F)(F)[*:1] COc1cccc(c1)-c1c(nnn1Cc1ccc(cc1)O[*:1])C(=O)[O-]
COc1cccc(-c2c(C(=O)[O-])nnn2Cc2ccc(OC(F)(F)F)cc2)c1 O=C([O-])[*:1] COc1cccc(c1)-c1c(nnn1Cc1ccc(cc1)OC(F)(F)F)[*:1]
CN(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 CN(C)[*:1] O=C(Nc1ccc(nc1)[*:1])c1ccc(cc1)-c1nnn[n-]1
CNC(=O)C(C)(C)CNC(=O)NC1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] CNC(=O)C(C)(C)CNC(=O)NC1(CCCC1)[*:1]
CNC(=O)C(C)(C)CNC(=O)NC1(c2ccc(F)cc2F)CCCC1 CNC(=O)C(C)(C)[*:1] O=C(NC[*:1])NC1(CCCC1)c1ccc(F)cc1F
CNC(=O)C(C)(C)CNC(=O)NC1(c2ccc(F)cc2F)CCCC1 CNC(=O)[*:1] CC(C)(CNC(=O)NC1(CCCC1)c1ccc(F)cc1F)[*:1]
CNC(=O)C(C)(C)CNC(=O)NC1(c2ccc(F)cc2F)CCCC1 CNC(=O)C(C)(C)C[*:1] O=C(NC1(CCCC1)c1ccc(F)cc1F)N[*:1]
CC(=O)c1ccc(N2CCN(C(=O)NCc3ccccc3OC(F)(F)F)CC2)c(F)c1 FC(F)(F)O[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)NCc1ccccc1[*:1]
CC(=O)c1ccc(N2CCN(C(=O)NCc3ccccc3OC(F)(F)F)CC2)c(F)c1 CC(=O)[*:1] O=C(NCc1ccccc1OC(F)(F)F)N1CCN(CC1)c1ccc(cc1F)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)NCc3ccccc3OC(F)(F)F)CC2)c(F)c1 FC(F)(F)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)NCc1ccccc1O[*:1]
CC(=O)c1ccc(N2CCN(C(=O)NCc3ccccc3OC(F)(F)F)CC2)c(F)c1 CC(=O)c1ccc(c(F)c1)[*:1] O=C(NCc1ccccc1OC(F)(F)F)N1CCN(CC1)[*:1]
CCOc1ccccc1[C@@H](O)[C@@H](C)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] CCOc1ccccc1[C@@H](O)[C@@H](C)[C@@H](C)[*:1]
CCOc1ccccc1[C@@H](O)[C@@H](C)[C@@H](C)C(=O)[O-] CCO[*:1] C[C@H]([C@H](O)c1ccccc1[*:1])[C@@H](C)C(=O)[O-]
CCOC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 CCOC(=O)N[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCCC1
CC[NH2+]C[C@@H](CC1CCOCC1)c1cccc(Cl)c1 C1CC(CCO1)[*:1] CC[NH2+]C[C@@H](C[*:1])c1cccc(Cl)c1
CCn1c(=O)c2ccccc2n2c(CO/N=C/c3ccc(C(C)C)cc3)nnc12 CC(C)[*:1] CCn1c(=O)c2ccccc2n2c(CO/N=C/c3ccc(cc3)[*:1])nnc12
CCn1c(=O)c2ccccc2n2c(CO/N=C/c3ccc(C(C)C)cc3)nnc12 CC(C)c1ccc(cc1)[*:1] CCn1c(=O)c2ccccc2n2c(CON=C[*:1])nnc12
O=C([O-])[C@@H](c1cccc(O)c1)[NH+]1CCN(C2CCCC2)CC1 C1CCC(C1)[*:1] O=C([O-])[C@@H](c1cccc(O)c1)[NH+]1CCN(CC1)[*:1]
O=C([O-])[C@@H](c1cccc(O)c1)[NH+]1CCN(C2CCCC2)CC1 Oc1cccc(c1)[*:1] O=C([O-])[C@@H]([NH+]1CCN(CC1)C1CCCC1)[*:1]
O=C([O-])[C@@H](c1cccc(O)c1)[NH+]1CCN(C2CCCC2)CC1 O=C([O-])[*:1] Oc1cccc(c1)[C@@H]([NH+]1CCN(CC1)C1CCCC1)[*:1]
COC(=O)/C(C#N)=C/c1cccc(OC(=O)CCCl)c1 ClCC[*:1] COC(=O)/C(C#N)=C/c1cccc(c1)OC(=O)[*:1]
COC(=O)/C(C#N)=C/c1cccc(OC(=O)CCCl)c1 COC(=O)[*:1] N#CC(=Cc1cccc(c1)OC(=O)CCCl)[*:1]
COC(=O)/C(C#N)=C/c1cccc(OC(=O)CCCl)c1 O=C(CCCl)O[*:1] COC(=O)/C(C#N)=C/c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1 CN(C)[*:1] O=C(NCc1ccc(cc1)Cn1ccnc1)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1 c1cn(cn1)[*:1] CN(C)c1cccc(c1)C(=O)NCc1ccc(cc1)C[*:1]
CN(C)c1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1 c1cn(cn1)C[*:1] CN(C)c1cccc(c1)C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(CCNC(=O)N2CCC[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)CCNC(=O)N1CCC[C@@H](C1)c1nnc(o1)[*:1]
COc1ccc(CCNC(=O)N2CCC[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)cc1 COc1ccc(cc1)CC[*:1] O=C(N[*:1])N1CCC[C@@H](C1)c1nnc(o1)-c1ccc2OCOc2c1
COc1ccc(CCNC(=O)N2CCC[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(NC[*:1])N1CCC[C@@H](C1)c1nnc(o1)-c1ccc2OCOc2c1
COc1ccc(CCNC(=O)N2CCC[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])N1CCC[C@@H](C1)c1nnc(o1)-c1ccc2OCOc2c1
CC[C@H]([NH2+][C@@H](CO)c1ccccc1F)c1cccs1 c1csc(c1)[*:1] CC[C@H]([NH2+][C@@H](CO)c1ccccc1F)[*:1]
Cn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)Nc3ccc(F)cc3)cc21 Fc1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)N[*:1])N1CCCC1
Cn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)Nc3ccc(F)cc3)cc21 C1CCN(C1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)Nc1ccc(F)cc1)[*:1]
COC(=O)[C@@](C)(c1ccc(OC)cc1)N(C)C CN(C)[*:1] COC(=O)[C@@](C)(c1ccc(cc1)OC)[*:1]
COC(=O)[C@@](C)(c1ccc(OC)cc1)N(C)C COC(=O)[*:1] COc1ccc(cc1)[C@](C)(N(C)C)[*:1]
CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1N(C)C CN(C)[*:1] CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[*:1]
CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1N(C)C CCS(=O)(=O)C[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1ccc(F)cc1N(C)C
CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1N(C)C CCS(=O)(=O)[*:1] C[C@@H](C[*:1])[NH2+][C@@H](C)c1ccc(F)cc1N(C)C
Cc1ccc(/C=C/C(=O)NC[C@@H](C)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)C=C[*:1])c1ccccc1
Cc1ccc(/C=C/C(=O)NC[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(/C=C/C(=O)NC[C@@H](C)[*:1])cc1
COCC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 CS(=O)(=O)N[*:1] COCC(=O)N1CCC[C@H](C1)[*:1]
COCC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 COC[*:1] CS(=O)(=O)N[C@H]1CCCN(C1)C(=O)[*:1]
Cc1noc(C)c1CNc1ccccc1Cc1ccccc1 Cc1noc(C)c1[*:1] c1ccc(cc1)Cc1ccccc1NC[*:1]
Cc1noc(C)c1CNc1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1noc(C)c1CNc1ccccc1[*:1]
Cc1noc(C)c1CNc1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1CNc1ccccc1C[*:1]
Cc1cc(F)ccc1CCNC(=O)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] Cc1cc(F)ccc1CCNC(=O)N1CCN(CC1)[*:1]
Cc1cc(F)ccc1CCNC(=O)N1CCN(c2ccccc2O)CC1 Cc1cc(F)ccc1[*:1] O=C(NCC[*:1])N1CCN(CC1)c1ccccc1O
COCCOc1cc(N)ccc1OC COCC[*:1] COc1ccc(N)cc1O[*:1]
COCCOc1cc(N)ccc1OC COC[*:1] COc1ccc(N)cc1OC[*:1]
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](COc2ccccc2)C1 c1ccc(cc1)OC[*:1] Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](C1)[*:1]
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](COc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](CO[*:1])C1
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](COc2ccccc2)C1 c1ccc(cc1)O[*:1] Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](C1)C[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2scnc2C)C1 Cc1ncsc1[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)[*:1]
Cc1nsc(N2CCCN(C(=O)[C@H]3CCO[C@@H]3C)CC2)n1 Cc1nsc(n1)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCCN(CC1)[*:1]
O=C(NCc1nc(-c2ccco2)n[nH]1)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1nc(n[nH]1)-c1ccco1)N[C@H](CO)[*:1]
O=C(NCc1nc(-c2ccco2)n[nH]1)N[C@H](CO)c1ccc(Cl)cc1 c1coc(c1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])N[C@H](CO)c1ccc(Cl)cc1
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)N2CCC(C)(C)C2)C1 O=C([O-])[*:1] CO[C@@H]1C[C@H](N(C1)C(=O)N1CCC(C)(C)C1)[*:1]
O=C([C@@H]1COCCO1)N1CCC[C@H]1[C@@H]1CCC[C@@H]1O O[C@H]1CCC[C@H]1[*:1] O=C([C@@H]1COCCO1)N1CCC[C@@H]1[*:1]
O=C([C@@H]1COCCO1)N1CCC[C@H]1[C@@H]1CCC[C@@H]1O C1CO[C@@H](CO1)[*:1] O=C(N1CCC[C@H]1[C@@H]1CCC[C@@H]1O)[*:1]
C[C@]([NH3+])(C(=O)[O-])c1ccc(-c2nnn[n-]2)cc1 O=C([O-])[*:1] C[C@]([NH3+])(c1ccc(cc1)-c1nnn[n-]1)[*:1]
C[C@]([NH3+])(C(=O)[O-])c1ccc(-c2nnn[n-]2)cc1 n1n[n-]c(n1)[*:1] C[C@]([NH3+])(C(=O)[O-])c1ccc(cc1)[*:1]
Cc1occc1C(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1occc1C(=O)N[C@@H]1CCC[C@H]1CNC(=O)O[*:1]
Cc1occc1C(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C Cc1occc1[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)[*:1]
Cc1cccc(NC(=O)NC[C@](C)(O)CCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)NC[C@](C)(O)CC[*:1]
Cc1cccc(NC(=O)NC[C@](C)(O)CCc2ccccc2)c1 Cc1cccc(c1)[*:1] C[C@@](O)(CCc1ccccc1)CNC(=O)N[*:1]
Cc1cccc(NC(=O)NC[C@](C)(O)CCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)NC[C@](C)(O)C[*:1]
Cc1cccc([C@@H](CNC(=O)N(C)C2CCOCC2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H](CNC(=O)N(C)C1CCOCC1)[*:1]
Cc1cccc([C@@H](CNC(=O)N(C)C2CCOCC2)N2CCOCC2)c1 C1CC(CCO1)[*:1] Cc1cccc(c1)[C@@H](CNC(=O)N(C)[*:1])N1CCOCC1
Cc1cccc([C@@H](CNC(=O)N(C)C2CCOCC2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] CN(C(=O)NC[C@@H](N1CCOCC1)[*:1])C1CCOCC1
Cc1nc(-c2cccc(CNC(=O)c3ccc(-n4cncn4)nc3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(NCc1cccc(c1)[*:1])c1ccc(nc1)-n1cncn1
Cc1nc(-c2cccc(CNC(=O)c3ccc(-n4cncn4)nc3)c2)n[nH]1 c1ncn(n1)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)c1ccc(nc1)[*:1]
C[C@@H](Sc1nnnn1C1CC1)C(=O)O[C@H](C)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](Sc1nnnn1C1CC1)C(=O)O[C@H](C)[*:1]
C[C@@H](Sc1nnnn1C1CC1)C(=O)O[C@H](C)c1cccnc1 C1CC1[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)O[C@H](C)c1cccnc1
COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCOCC2)c1 COc1cccc(c1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])C(=O)Nc1ccc2OCOc2c1
COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)[C@H](CNC(=O)C(=O)Nc1ccc2OCOc2c1)[*:1]
COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCOCC2)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)[C@H](CNC(=O)C(=O)N[*:1])N1CCOCC1
Cc1c(O)ccc2c(CN(C)CCOc3cccc(Cl)c3)cc(=O)oc12 Clc1cccc(c1)[*:1] Cc1c(O)ccc2c(cc(=O)oc12)CN(C)CCO[*:1]
Cc1c(O)ccc2c(CN(C)CCOc3cccc(Cl)c3)cc(=O)oc12 Clc1cccc(c1)O[*:1] Cc1c(O)ccc2c(cc(=O)oc12)CN(C)CC[*:1]
O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCCC[C@H]1CCn1ccnc1 c1cn(cn1)[*:1] O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCCC[C@H]1CC[*:1]
O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCCC[C@H]1CCn1ccnc1 c1ccc(cc1)[*:1] O=C(c1ccc2oc(CC[*:1])nc2c1)N1CCCC[C@H]1CCn1ccnc1
O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCCC[C@H]1CCn1ccnc1 c1cn(cn1)CC[*:1] O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCCC[C@@H]1[*:1]
O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCCC[C@H]1CCn1ccnc1 c1ccc(cc1)C[*:1] O=C(c1ccc2oc(C[*:1])nc2c1)N1CCCC[C@H]1CCn1ccnc1
O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCCC[C@H]1CCn1ccnc1 c1cn(cn1)C[*:1] O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCCC[C@H]1C[*:1]
O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCCC[C@H]1CCn1ccnc1 c1ccc(cc1)CC[*:1] O=C(c1ccc2oc(nc2c1)[*:1])N1CCCC[C@H]1CCn1ccnc1
O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(C[C@@H]1C[NH2+]CCO1)NC[*:1]
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)Oc1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)O[*:1]
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)Oc1ccccc1 COC(=O)[*:1] O=C(Nc1c([nH]c2ccc(Cl)cc12)[*:1])Oc1ccccc1
Cc1ccc(-n2nnc(C(=O)N(C)CCc3cccs3)c2C2CC2)cc1 Cc1ccc(cc1)[*:1] CN(CCc1cccs1)C(=O)c1nnn(c1C1CC1)[*:1]
Cc1ccc(-n2nnc(C(=O)N(C)CCc3cccs3)c2C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N(C)CCc2cccs2)c1[*:1]
Cc1ccc(-n2nnc(C(=O)N(C)CCc3cccs3)c2C2CC2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N(C)CC[*:1])c1C1CC1
Cc1ccc(-n2nnc(C(=O)N(C)CCc3cccs3)c2C2CC2)cc1 c1csc(c1)CC[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N(C)[*:1])c1C1CC1
Cc1ccc(-n2nnc(C(=O)N(C)CCc3cccs3)c2C2CC2)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N(C)C[*:1])c1C1CC1
CCn1cnc(NC(=O)N(C)Cc2cccc3ncccc23)n1 CCn1cnc(n1)[*:1] CN(Cc1cccc2ncccc12)C(=O)N[*:1]
O=C(c1sccc1OC(F)F)N1CCC(OC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] O=C(c1sccc1OC(F)F)N1CCC(CC1)OC[*:1]
O=C(c1sccc1OC(F)F)N1CCC(OC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] O=C(c1sccc1OC(F)F)N1CCC(CC1)O[*:1]
O=C(c1sccc1OC(F)F)N1CCC(OC[C@@H]2CCCO2)CC1 FC(F)O[*:1] O=C(c1sccc1[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
O=C(c1sccc1OC(F)F)N1CCC(OC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)CO[*:1] O=C(c1sccc1OC(F)F)N1CCC(CC1)[*:1]
O=C(c1sccc1OC(F)F)N1CCC(OC[C@@H]2CCCO2)CC1 FC(F)[*:1] O=C(c1sccc1O[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
CO[C@]1(C)C[C@@H](NC(=O)NCC[C@@H](C)O)C1(C)C C[C@@H](O)[*:1] CO[C@]1(C)C[C@@H](NC(=O)NCC[*:1])C1(C)C
CO[C@]1(C)C[C@@H](NC(=O)NCC[C@@H](C)O)C1(C)C C[C@@H](O)CC[*:1] CO[C@]1(C)C[C@@H](NC(=O)N[*:1])C1(C)C
CO[C@]1(C)C[C@@H](NC(=O)NCC[C@@H](C)O)C1(C)C C[C@@H](O)C[*:1] CO[C@]1(C)C[C@@H](NC(=O)NC[*:1])C1(C)C
C[C@@H](Cc1ccsc1)N(C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 NC(=O)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)C1C[C@@H](N(N=1)c1ccccc1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N(C)C(=O)C1C[C@@H](C(N)=O)N(N=1)c1ccccc1
C[C@@H](Cc1ccsc1)N(C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 c1cc(cs1)C[*:1] C[C@@H](N(C)C(=O)C1C[C@@H](C(N)=O)N(N=1)c1ccccc1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 c1ccc(cc1)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)C1C[C@@H](C(N)=O)N(N=1)[*:1]
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CCc1cc([O-])no1 [O-]c1cc(C[*:1])on1 C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)C[*:1]
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CCc1cc([O-])no1 c1ccc(cc1)[*:1] C=CC[C@@H]1CC=C[C@@H](N1C(=O)CCc1cc([O-])no1)[*:1]
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CCc1cc([O-])no1 [O-]c1cc(on1)[*:1] C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CC[*:1]
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CCc1cc([O-])no1 C=CC[*:1] O=C(CCc1cc([O-])no1)N1[C@@H](C=CC[C@H]1[*:1])c1ccccc1
C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)C1 Fc1ccccc1[*:1] C[C@H]1CCCN(C1)S(=O)(=O)N[C@@H]1CCCN(C1=O)[*:1]
CC[C@@H]1[NH2+]CC[C@H]1c1c[nH+]cn1C(C)C CC(C)[*:1] CC[C@@H]1[NH2+]CC[C@H]1c1c[nH+]cn1[*:1]
Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)CSc1nc(n[nH]1)[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2cnc3ccccn23)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)Cc1cnc2ccccn12)[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H]([NH2+]Cc1ccc(cc1)[S@](C)=O)[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1ccc(cc1)[S@](C)=O)[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)C(C)C C[S@](=O)[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1ccc(cc1)[*:1])C(C)C
CC(C)C[C@H](NC(=O)Nc1nccs1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)C[C@H](NC(=O)N[*:1])C(=O)Nc1nccs1
CC(C)C[C@H](NC(=O)Nc1nccs1)C(=O)Nc1nccs1 CC(C)C[*:1] O=C(Nc1nccs1)N[C@H](C(=O)Nc1nccs1)[*:1]
CC(C)C[C@H](NC(=O)Nc1nccs1)C(=O)Nc1nccs1 CC(C)[*:1] O=C(Nc1nccs1)N[C@@H](C[*:1])C(=O)Nc1nccs1
CC(C)C[C@H](NC(=O)Nc1nccs1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)C[C@H](NC(=O)Nc1nccs1)C(=O)N[*:1]
CCNC(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@H](O)C2)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)N1CC[C@H](C)[C@H](O)C1)[*:1]
C[C@H]1CCCN(C(=O)COC(=O)c2ccccc2Oc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1CCCN(C1)C(=O)COC(=O)c1ccccc1O[*:1]
C[C@H]1CCCN(C(=O)COC(=O)c2ccccc2Oc2ccccc2)C1 c1ccc(cc1)O[*:1] C[C@H]1CCCN(C1)C(=O)COC(=O)c1ccccc1[*:1]
N#C/C(=C\c1cccnc1)c1nc(-c2ccccc2)cs1 c1cncc(c1)[*:1] N#CC(=C[*:1])c1nc(cs1)-c1ccccc1
N#C/C(=C\c1cccnc1)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] N#C/C(=C\c1cccnc1)c1nc(cs1)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)Nc2cc(C)n(Cc3cccc(Cl)c3)n2)cc1 Clc1cccc(c1)C[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)Nc1cc(C)n(n1)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)Nc2cc(C)n(Cc3cccc(Cl)c3)n2)cc1 Cc1noc(C)c1CO[*:1] Cc1cc(nn1Cc1cccc(Cl)c1)NC(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)Nc2cc(C)n(Cc3cccc(Cl)c3)n2)cc1 Cc1noc(C)c1[*:1] Cc1cc(nn1Cc1cccc(Cl)c1)NC(=O)c1ccc(cc1)OC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)Nc2cc(C)n(Cc3cccc(Cl)c3)n2)cc1 Clc1cccc(c1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)Nc1cc(C)n(C[*:1])n1
Cc1noc(C)c1COc1ccc(C(=O)Nc2cc(C)n(Cc3cccc(Cl)c3)n2)cc1 Cc1noc(C)c1C[*:1] Cc1cc(nn1Cc1cccc(Cl)c1)NC(=O)c1ccc(cc1)O[*:1]
Fc1cc(Br)cc(-c2ncc(C[NH2+]C3CC3)s2)c1 C1CC1[*:1] Fc1cc(Br)cc(c1)-c1ncc(C[NH2+][*:1])s1
C=CCNc1nc(Cl)nc(NC(C)C)n1 C=CC[*:1] CC(C)Nc1nc(Cl)nc(n1)N[*:1]
C=CCNc1nc(Cl)nc(NC(C)C)n1 C=CCN[*:1] CC(C)Nc1nc(Cl)nc(n1)[*:1]
C=CCNc1nc(Cl)nc(NC(C)C)n1 CC(C)[*:1] C=CCNc1nc(Cl)nc(n1)N[*:1]
C=CCNc1nc(Cl)nc(NC(C)C)n1 CC(C)N[*:1] C=CCNc1nc(Cl)nc(n1)[*:1]
Cc1cccc(NC(=O)CCNC(=O)[C@@H]2SCCc3sccc32)n1 Cc1cccc(n1)[*:1] O=C(CCNC(=O)[C@@H]1SCCc2sccc21)N[*:1]
N#Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 Fc1cc(ccc1Cl)[*:1] N#Cc1ccc(cc1)C(=O)N[C@@H]1CCO[C@@H]1[*:1]
N#Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[*:1]
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C)c(C)c1 Cc1ccccc1[*:1] Cc1ccc(NC(=O)C(C#N)=C[*:1])c(C)c1
COc1ccc(-n2ccn(Cc3ccccc3F)c(=O)c2=O)cc1Cl Fc1ccccc1[*:1] COc1ccc(cc1Cl)-n1ccn(C[*:1])c(=O)c1=O
COc1ccc(-n2ccn(Cc3ccccc3F)c(=O)c2=O)cc1Cl Fc1ccccc1C[*:1] COc1ccc(cc1Cl)-n1ccn(c(=O)c1=O)[*:1]
CCOCc1ccc(CNC(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCOCc1ccc(cc1)CNC(=O)NC[*:1]
CCOCc1ccc(CNC(=O)NCc2ccccc2)cc1 CCO[*:1] O=C(NCc1ccccc1)NCc1ccc(cc1)C[*:1]
CCOCc1ccc(CNC(=O)NCc2ccccc2)cc1 CCOC[*:1] O=C(NCc1ccccc1)NCc1ccc(cc1)[*:1]
CCOCc1ccc(CNC(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCOCc1ccc(cc1)CNC(=O)N[*:1]
CCCc1nc(C(=O)Nc2ccccc2I)n[nH]1 CCC[*:1] O=C(Nc1ccccc1I)c1n[nH]c(n1)[*:1]
Nc1ccc(Cl)cc1COc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Nc1ccc(Cl)cc1COc1ccc(cc1)[*:1]
O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 c1ccc(cc1)CC[*:1] O=C1Nc2ccccc2Oc2ccc(cc21)NS(=O)(=O)[*:1]
O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 c1ccc(cc1)C[*:1] O=C1Nc2ccccc2Oc2ccc(cc21)NS(=O)(=O)C[*:1]
O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 c1ccc(cc1)[*:1] O=C1Nc2ccccc2Oc2ccc(cc21)NS(=O)(=O)CC[*:1]
CCCC(=O)NCCCC[NH+]1CCCC1 CCC[*:1] O=C(NCCCC[NH+]1CCCC1)[*:1]
CCOCc1ccccc1NC(=O)N1CCC[C@H]1c1cccc2c1OCCO2 CCO[*:1] O=C(Nc1ccccc1C[*:1])N1CCC[C@H]1c1cccc2OCCOc21
CCOCc1ccccc1NC(=O)N1CCC[C@H]1c1cccc2c1OCCO2 CCOC[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@H]1c1cccc2OCCOc21
CC(C)n1ncnc1C[C@H](N)[C@@H]1C[NH+]2CCN1CC2 CC(C)[*:1] N[C@@H](Cc1ncnn1[*:1])[C@@H]1C[NH+]2CCN1CC2
CC(C)[C@@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] CC(C)[C@@H](C)[NH2+][C@H]1CCN(C1=O)c1cccc(c1)[*:1]
CC(C)[C@@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O CC(C)[*:1] C[C@@H]([NH2+][C@H]1CCN(C1=O)c1cccc(c1)[N+](=O)[O-])[*:1]
O=CCC[C@H]1CCO[C@@]2(CCOC2)C1 O=CC[*:1] C1C[C@@]2(CO1)C[C@H](CCO2)C[*:1]
O=CCC[C@H]1CCO[C@@]2(CCOC2)C1 O=CCC[*:1] C1C[C@@]2(CO1)C[C@H](CCO2)[*:1]
C[NH+](CCNC(=O)C(C)(C)Oc1ccc2c(c1)CCCC2=O)C1CC1 C1CC1[*:1] C[NH+](CCNC(=O)C(C)(C)Oc1ccc2C(=O)CCCc2c1)[*:1]
O=C(c1cc(Nc2ccccc2F)c2ccccc2n1)N1CCSCC1 Fc1ccccc1N[*:1] O=C(c1cc(c2ccccc2n1)[*:1])N1CCSCC1
O=C(c1cc(Nc2ccccc2F)c2ccccc2n1)N1CCSCC1 Fc1ccccc1[*:1] O=C(c1cc(N[*:1])c2ccccc2n1)N1CCSCC1
O=C(c1cc(Nc2ccccc2F)c2ccccc2n1)N1CCSCC1 O=C(N1CCSCC1)[*:1] Fc1ccccc1Nc1cc(nc2ccccc12)[*:1]
COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(OC)cc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)[C@@H]2ON([C@@H](c3ccccc3)[C@H]2C1=O)[*:1]
COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(OC)cc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)[C@@H]2ON(c3ccc(cc3)OC)[C@@H]([C@H]2C1=O)[*:1]
COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(OC)cc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)N1O[C@H]2C(=O)N(C(=O)[C@@H]2[C@@H]1c1ccccc1)[*:1]
COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1cc(-n3cccn3)ccc1Cl)cn2C c1cnn(c1)[*:1] COc1ccc2c(c1)c(cn2C)C[C@H](C)NC(=O)c1cc(ccc1Cl)[*:1]
CC1(C)[C@@H](C(=O)N2c3ccccc3C[C@H]2C(=O)[O-])[C@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)[C@@H](C(=O)N2c3ccccc3C[C@@H]2[*:1])[C@H]1C(=O)[O-]
CC1(C)[C@@H](C(=O)N2c3ccccc3C[C@H]2C(=O)[O-])[C@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)[C@@H](C(=O)N2c3ccccc3C[C@H]2C(=O)[O-])[C@@H]1[*:1]
CS[C@H](C)C(=O)Nc1cc(Br)c(F)cc1Cl CS[C@H](C)[*:1] O=C(Nc1cc(Br)c(F)cc1Cl)[*:1]
CN(CC(=O)NCc1ccc(-c2ccc(F)cc2)o1)S(=O)(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CN(CC(=O)NCc1ccc(o1)-c1ccc(F)cc1)S(=O)(=O)[*:1]
CN(CC(=O)NCc1ccc(-c2ccc(F)cc2)o1)S(=O)(=O)c1ccc(C#N)cc1 Fc1ccc(cc1)[*:1] CN(CC(=O)NCc1ccc(o1)[*:1])S(=O)(=O)c1ccc(C#N)cc1
CCCOc1ccccc1NC(=O)c1snnc1CC CCC[*:1] CCc1nnsc1C(=O)Nc1ccccc1O[*:1]
CCCOc1ccccc1NC(=O)c1snnc1CC CCCO[*:1] CCc1nnsc1C(=O)Nc1ccccc1[*:1]
Clc1nccc(N2CC[C@H](N3CCOCC3)C2)n1 C1CN(CCO1)[*:1] Clc1nccc(n1)N1CC[C@H](C1)[*:1]
CCc1nn(CC)c(C[C@@H]([NH2+]C)c2ccc(F)cn2)c1Br Fc1ccc(nc1)[*:1] CCc1nn(CC)c(C[C@@H]([NH2+]C)[*:1])c1Br
CCC(CC)CNC(=O)c1cccc(OC)n1 CCC(CC)[*:1] COc1cccc(n1)C(=O)NC[*:1]
C[C@H]1CC(Oc2cncc(C[NH2+]C3CC3)n2)C[C@H](C)C1 C1CC1[*:1] C[C@H]1CC(C[C@H](C)C1)Oc1cncc(C[NH2+][*:1])n1
CCc1cccc(C)c1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 CCc1cccc(C)c1[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@@H](C1)NC(=O)N[*:1]
CCc1cccc(C)c1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 N#Cc1ccc(c(F)c1)[*:1] CCc1cccc(C)c1NC(=O)N[C@H]1CCCN(C1)[*:1]
C[C@@H](NC(=O)c1ccsc1)c1cccnc1 c1cc(cs1)[*:1] C[C@@H](NC(=O)[*:1])c1cccnc1
CC(C)[C@@H](CO)[NH2+]Cc1ccc(I)cc1 CC(C)[*:1] OC[C@@H]([NH2+]Cc1ccc(I)cc1)[*:1]
C=C(C)CN(CC)C(=O)CSc1ccc(C)cc1N C=C(C)C[*:1] CCN(C(=O)CSc1ccc(C)cc1N)[*:1]
C=C(C)CN(CC)C(=O)CSc1ccc(C)cc1N C=C(C)[*:1] CCN(C[*:1])C(=O)CSc1ccc(C)cc1N
CCCn1ncc2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc(C)nc21 c1ccc(cc1)[*:1] CCCn1ncc2c(cc(C)nc21)C(=O)N1CCC(CC1)C[*:1]
CCCn1ncc2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc(C)nc21 c1ccc(cc1)C[*:1] CCCn1ncc2c(cc(C)nc21)C(=O)N1CCC(CC1)[*:1]
CCCn1ncc2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc(C)nc21 CCC[*:1] Cc1cc(C(=O)N2CCC(CC2)Cc2ccccc2)c2cnn(c2n1)[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] C[NH+](C)CCN(Cc1cccs1)C(=O)N[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1cccnc1 c1csc(c1)C[*:1] C[NH+](C)CCN(C(=O)NCc1cccnc1)[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1cccnc1 c1cncc(c1)[*:1] C[NH+](C)CCN(Cc1cccs1)C(=O)NC[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1cccnc1 c1csc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)NCc1cccnc1
CO[C@H](CN[C@H](C)c1cccc(NC(C)=O)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CN[C@H](C)c1cccc(c1)NC(C)=O)[*:1]
CO[C@H](CN[C@H](C)c1cccc(NC(C)=O)c1)c1ccc(F)cc1 CC(=O)N[*:1] CO[C@H](CN[C@H](C)c1cccc(c1)[*:1])c1ccc(F)cc1
CCCn1cnc2c(Nc3ccc(C)cc3)nc(NCCO)nc21 CCC[*:1] Cc1ccc(cc1)Nc1nc(nc2c1ncn2[*:1])NCCO
CCCn1cnc2c(Nc3ccc(C)cc3)nc(NCCO)nc21 Cc1ccc(cc1)[*:1] CCCn1cnc2c(nc(nc21)NCCO)N[*:1]
CCCn1cnc2c(Nc3ccc(C)cc3)nc(NCCO)nc21 OCCN[*:1] CCCn1cnc2c(nc(nc21)[*:1])Nc1ccc(C)cc1
CCCn1cnc2c(Nc3ccc(C)cc3)nc(NCCO)nc21 Cc1ccc(cc1)N[*:1] CCCn1cnc2c(nc(nc21)NCCO)[*:1]
CCCn1cnc2c(Nc3ccc(C)cc3)nc(NCCO)nc21 OCC[*:1] CCCn1cnc2c(nc(nc21)N[*:1])Nc1ccc(C)cc1
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1ccccc1)C(=O)C2 c1ccc(cc1)C[*:1] CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N[*:1])C(=O)C2
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1ccccc1)C(=O)C2 c1ccc(cc1)[*:1] CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NC[*:1])C(=O)C2
C[C@@H](NCCC(=O)NC1CC1)c1ccccc1[N+](=O)[O-] C1CC1[*:1] C[C@@H](NCCC(=O)N[*:1])c1ccccc1[N+](=O)[O-]
C[C@@H](NCCC(=O)NC1CC1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](NCCC(=O)NC1CC1)c1ccccc1[*:1]
C[C@@H](NCCC(=O)NC1CC1)c1ccccc1[N+](=O)[O-] O=C(NC1CC1)[*:1] C[C@@H](NCC[*:1])c1ccccc1[N+](=O)[O-]
CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccc(O)c1 Oc1cccc(c1)[*:1] CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccccn1)C1CCCC1 CC(=O)N[*:1] O=C(Nc1ccccn1)[C@@H](C1CCCC1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccccn1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)Nc1ccccn1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccccn1)C1CCCC1 c1ccc(nc1)[*:1] CC(=O)N[C@@H](C(=O)N[*:1])C1CCCC1
CC(C)c1nc([C@H]2CCCN(C(=O)C[C@@H](C)c3ccccc3)C2)no1 C[C@@H](c1ccccc1)[*:1] CC(C)c1nc(no1)[C@H]1CCCN(C1)C(=O)C[*:1]
CC(C)c1nc([C@H]2CCCN(C(=O)C[C@@H](C)c3ccccc3)C2)no1 CC(C)[*:1] C[C@H](CC(=O)N1CCC[C@@H](C1)c1noc(n1)[*:1])c1ccccc1
CC(C)c1nc([C@H]2CCCN(C(=O)C[C@@H](C)c3ccccc3)C2)no1 c1ccc(cc1)[*:1] CC(C)c1nc(no1)[C@H]1CCCN(C1)C(=O)C[C@@H](C)[*:1]
CC(C)c1nc([C@H]2CCCN(C(=O)C[C@@H](C)c3ccccc3)C2)no1 CC(C)c1nc(no1)[*:1] C[C@H](CC(=O)N1CCC[C@@H](C1)[*:1])c1ccccc1
CN(C(=O)CN1CCc2nc(NC(=O)c3ccco3)sc2C1)c1ccccc1 c1coc(c1)[*:1] CN(C(=O)CN1CCc2nc(NC(=O)[*:1])sc2C1)c1ccccc1
CN(C(=O)CN1CCc2nc(NC(=O)c3ccco3)sc2C1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CN1CCc2nc(NC(=O)c3ccco3)sc2C1)[*:1]
CN(C(=O)CN1CCc2nc(NC(=O)c3ccco3)sc2C1)c1ccccc1 O=C(N[*:1])c1ccco1 CN(C(=O)CN1CCc2nc(sc2C1)[*:1])c1ccccc1
COCCCNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2 COCC[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NC[*:1]
COCCCNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2 COC[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCC[*:1]
COCCCNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2 COCCC[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N[*:1]
COCCCNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2 O=C([O-])[*:1] COCCCNC(=O)[C@@H]1[C@@H]([C@@H]2C=C[C@H]1C2)[*:1]
COCCCn1ccc(NC(=O)N[C@@H](C)c2ccccc2C)n1 COC[*:1] Cc1ccccc1[C@H](C)NC(=O)Nc1ccn(CC[*:1])n1
COCCCn1ccc(NC(=O)N[C@@H](C)c2ccccc2C)n1 Cc1ccccc1[*:1] COCCCn1ccc(n1)NC(=O)N[C@@H](C)[*:1]
COCCCn1ccc(NC(=O)N[C@@H](C)c2ccccc2C)n1 COCCC[*:1] Cc1ccccc1[C@H](C)NC(=O)Nc1ccn(n1)[*:1]
COCCCn1ccc(NC(=O)N[C@@H](C)c2ccccc2C)n1 COCC[*:1] Cc1ccccc1[C@H](C)NC(=O)Nc1ccn(C[*:1])n1
COc1ccc2c(c1)[C@@H]([NH3+])[C@H](S(C)(=O)=O)CC2 CS(=O)(=O)[*:1] COc1ccc2CC[C@@H]([C@H]([NH3+])c2c1)[*:1]
O=C(COc1ccc(Cl)cc1)N1CCN(C[C@@H]2CC=CCC2)CC1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)C[C@@H]1CC=CCC1
O=C(COc1ccc(Cl)cc1)N1CCN(C[C@@H]2CC=CCC2)CC1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)C[C@@H]1CC=CCC1
Cl[C@@H](Cc1nc2ccccc2o1)c1ccoc1 c1cc(co1)[*:1] Cl[C@@H](Cc1nc2ccccc2o1)[*:1]
CC[C@H](C)n1nccc1NC(=O)[C@H](C)NC(=O)c1ccco1 CC[C@H](C)[*:1] C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccnn1[*:1]
CC[C@H](C)n1nccc1NC(=O)[C@H](C)NC(=O)c1ccco1 c1coc(c1)[*:1] CC[C@H](C)n1nccc1NC(=O)[C@H](C)NC(=O)[*:1]
C(=N/n1nnnc1Nc1cccc2ccccc12)\c1cccnc1 c1cncc(c1)[*:1] C(=Nn1nnnc1Nc1cccc2ccccc12)[*:1]
COc1ccc(N2C[C@H](NC(=O)NCCn3ccc4ccccc43)CC2=O)cc1OC COc1ccc(cc1OC)[*:1] O=C(NCCn1ccc2ccccc21)N[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@H](NC(=O)NCCn3ccc4ccccc43)CC2=O)cc1OC c1ccc2c(c1)ccn2[*:1] COc1ccc(cc1OC)N1C[C@@H](CC1=O)NC(=O)NCC[*:1]
COc1ccc(N2C[C@H](NC(=O)NCCn3ccc4ccccc43)CC2=O)cc1OC c1ccc2c(c1)ccn2C[*:1] COc1ccc(cc1OC)N1C[C@@H](CC1=O)NC(=O)NC[*:1]
CCOC(=O)C1CCC([NH+]2CCN(c3nc(C)cs3)CC2)CC1 CCOC(=O)[*:1] Cc1csc(n1)N1CC[NH+](CC1)C1CCC(CC1)[*:1]
CCOC(=O)C1CCC([NH+]2CCN(c3nc(C)cs3)CC2)CC1 Cc1csc(n1)[*:1] CCOC(=O)C1CCC(CC1)[NH+]1CCN(CC1)[*:1]
Cc1ccc(C)c(Nc2nc(N)c(C(=O)C(C)C)s2)c1 CC(C)C(=O)[*:1] Cc1ccc(C)c(c1)Nc1nc(N)c(s1)[*:1]
Cc1ccc(C)c(Nc2nc(N)c(C(=O)C(C)C)s2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)Nc1nc(N)c(s1)C(=O)[*:1]
CSc1nsc(SCC(=O)Nc2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] CSc1nsc(n1)SCC(=O)Nc1ccccc1[*:1]
CSc1nsc(SCC(=O)Nc2ccccc2C(F)(F)F)n1 CSc1nsc(n1)[*:1] O=C(CS[*:1])Nc1ccccc1C(F)(F)F
COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccccc3C(F)(F)F)n2)c1 FC(F)(F)c1ccccc1[*:1] COc1cccc(c1)-c1noc(n1)[C@@H]1CCCN1C(=O)N[*:1]
COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccccc3C(F)(F)F)n2)c1 FC(F)(F)[*:1] COc1cccc(c1)-c1noc(n1)[C@@H]1CCCN1C(=O)Nc1ccccc1[*:1]
COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccccc3C(F)(F)F)n2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc(no1)[*:1]
CC[C@H](SC1CCCC1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](SC1CCCC1)C(=O)NC[*:1]
CC[C@H](SC1CCCC1)C(=O)NCc1ccccc1 C1CCC(C1)S[*:1] CC[C@H](C(=O)NCc1ccccc1)[*:1]
CC[C@H](SC1CCCC1)C(=O)NCc1ccccc1 C1CCC(C1)[*:1] CC[C@H](S[*:1])C(=O)NCc1ccccc1
CCSc1ccccc1[C@H](C)[NH2+]Cc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] CCSc1ccccc1[C@H](C)[NH2+]Cc1ccc(cc1)[*:1]
CCSc1ccccc1[C@H](C)[NH2+]Cc1ccc([S@@](C)=O)cc1 CCS[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[S@@](C)=O)c1ccccc1[*:1]
CC(C)Cc1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1 c1nc(n[nH]1)[*:1] CC(C)Cc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CC(C)Cc1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1 CC(C)C[*:1] c1nc(n[nH]1)C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(C)Cc1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1 CC(C)[*:1] c1nc(n[nH]1)C1CC[NH+](CC1)Cc1ccc(cc1)C[*:1]
COCCN(Cc1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COCCN(Cc1ccco1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
COCCN(Cc1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 COCC[*:1] O=C(Nc1ccc(Cl)c(c1)[N+](=O)[O-])N(Cc1ccco1)[*:1]
COCCN(Cc1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 c1coc(c1)C[*:1] COCCN(C(=O)Nc1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
COCCN(Cc1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 COC[*:1] O=C(Nc1ccc(Cl)c(c1)[N+](=O)[O-])N(Cc1ccco1)C[*:1]
COCCN(Cc1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 c1coc(c1)[*:1] COCCN(C[*:1])C(=O)Nc1ccc(Cl)c(c1)[N+](=O)[O-]
CS(=O)(=O)CCCS(=O)(=O)Oc1cccc(Br)c1 CS(=O)(=O)CC[*:1] O=S(=O)(C[*:1])Oc1cccc(Br)c1
CS(=O)(=O)CCCS(=O)(=O)Oc1cccc(Br)c1 CS(=O)(=O)[*:1] O=S(=O)(CCC[*:1])Oc1cccc(Br)c1
CS(=O)(=O)CCCS(=O)(=O)Oc1cccc(Br)c1 CS(=O)(=O)C[*:1] O=S(=O)(CC[*:1])Oc1cccc(Br)c1
CCOc1ccc(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nc1 CCO[*:1] C[C@H]1CCC[C@H](C1)NC(=O)CN1CC[NH+](CC1)Cc1ccc(cn1)[*:1]
CCOc1ccc(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nc1 C[C@H]1CCC[C@H](C1)[*:1] CCOc1ccc(C[NH+]2CCN(CC2)CC(=O)N[*:1])nc1
CCOc1ccc(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nc1 CCOc1ccc(nc1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)CN1CC[NH+](CC1)C[*:1]
CCc1nc2n(n1)CCC[C@@H]2N[C@H](C(=O)NC1CC1)c1ccccc1 c1ccc(cc1)[*:1] CCc1nc2[C@H](CCCn2n1)N[C@H](C(=O)NC1CC1)[*:1]
CCc1nc2n(n1)CCC[C@@H]2N[C@H](C(=O)NC1CC1)c1ccccc1 C1CC1[*:1] CCc1nc2[C@H](CCCn2n1)N[C@H](C(=O)N[*:1])c1ccccc1
CCc1nc2n(n1)CCC[C@@H]2N[C@H](C(=O)NC1CC1)c1ccccc1 O=C(NC1CC1)[*:1] CCc1nc2[C@H](CCCn2n1)N[C@H](c1ccccc1)[*:1]
CCc1nc(COC)cc(OCC(=O)[O-])n1 O=C([O-])CO[*:1] CCc1nc(cc(n1)[*:1])COC
CCc1nc(COC)cc(OCC(=O)[O-])n1 COC[*:1] CCc1nc(cc(n1)[*:1])OCC(=O)[O-]
CCc1nc(COC)cc(OCC(=O)[O-])n1 O=C([O-])[*:1] CCc1nc(cc(n1)OC[*:1])COC
CCc1nc(COC)cc(OCC(=O)[O-])n1 O=C([O-])C[*:1] CCc1nc(cc(n1)O[*:1])COC
CN(c1cccc(O)c1)S(=O)(=O)c1ccc2c(c1)OCCCO2 Oc1cccc(c1)[*:1] CN(S(=O)(=O)c1ccc2OCCCOc2c1)[*:1]
C=CCN(Cc1ccccn1)C(=O)c1ccccc1N1CCCC1 c1ccc(C[*:1])nc1 C=CCN(C(=O)c1ccccc1N1CCCC1)[*:1]
C=CCN(Cc1ccccn1)C(=O)c1ccccc1N1CCCC1 C=CC[*:1] O=C(c1ccccc1N1CCCC1)N(Cc1ccccn1)[*:1]
C=CCN(Cc1ccccn1)C(=O)c1ccccc1N1CCCC1 c1ccc(nc1)[*:1] C=CCN(C[*:1])C(=O)c1ccccc1N1CCCC1
C=CCN(Cc1ccccn1)C(=O)c1ccccc1N1CCCC1 C1CCN(C1)[*:1] C=CCN(Cc1ccccn1)C(=O)c1ccccc1[*:1]
CC(C)Oc1ncccc1CNC(=O)c1cnccn1 c1cnc(cn1)[*:1] CC(C)Oc1ncccc1CNC(=O)[*:1]
CC(C)Oc1ncccc1CNC(=O)c1cnccn1 CC(C)O[*:1] O=C(NCc1cccnc1[*:1])c1cnccn1
CC(C)Oc1ncccc1CNC(=O)c1cnccn1 CC(C)[*:1] O=C(NCc1cccnc1O[*:1])c1cnccn1
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1COc2ccc(F)cc2C1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
Cc1nsc(N2CCCN(C(=O)CCc3ccccc3O)CC2)n1 Oc1ccccc1[*:1] Cc1nsc(n1)N1CCCN(CC1)C(=O)CC[*:1]
Cc1nsc(N2CCCN(C(=O)CCc3ccccc3O)CC2)n1 Oc1ccccc1C[*:1] Cc1nsc(n1)N1CCCN(CC1)C(=O)C[*:1]
Cc1nsc(N2CCCN(C(=O)CCc3ccccc3O)CC2)n1 Cc1nsc(n1)[*:1] O=C(CCc1ccccc1O)N1CCCN(CC1)[*:1]
COC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1Cl COC(=O)[*:1] Cc1cc(c2c(C)nn(-c3ccccc3Cl)c2n1)[*:1]
COC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)c1cc(C)nc2c1c(C)nn2[*:1]
Cc1ccc(-c2ncc(CN3CCN(c4ncccc4F)CC3)s2)o1 Cc1ccc(o1)[*:1] Fc1cccnc1N1CCN(CC1)Cc1cnc(s1)[*:1]
Cc1ccc(-c2ncc(CN3CCN(c4ncccc4F)CC3)s2)o1 Fc1cccnc1[*:1] Cc1ccc(o1)-c1ncc(CN2CCN(CC2)[*:1])s1
CCOc1ccc(/C=N\NC(=S)Nc2ccccc2)cc1O CCO[*:1] Oc1cc(/C=N\NC(=S)Nc2ccccc2)ccc1[*:1]
CCOc1ccc(/C=N\NC(=S)Nc2ccccc2)cc1O c1ccc(cc1)[*:1] CCOc1ccc(/C=N\NC(=S)N[*:1])cc1O
Cc1cc2c(cc1C)O[C@@H](C(=O)NCCc1ccc(-n3cccn3)cc1)C2 c1cnn(c1)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NCCc1ccc(cc1)[*:1]
O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc([N+](=O)[O-])cc1 C1CC1[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)NC(=O)C1CC1)c1ccc(cc1)[*:1]
O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc([N+](=O)[O-])cc1 O=C(N[*:1])C1CC1 O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1cccc2c1cc(C(=O)NC[C@@H](C)O)n2C C[C@@H](O)C[*:1] COc1cccc2c1cc(C(=O)N[*:1])n2C
COc1cccc2c1cc(C(=O)NC[C@@H](C)O)n2C C[C@@H](O)[*:1] COc1cccc2c1cc(C(=O)NC[*:1])n2C
Cc1ccc(C(=O)NNC(=O)CCOc2ccc(C)c(C)c2)o1 Cc1ccc(o1)[*:1] Cc1ccc(cc1C)OCCC(=O)NNC(=O)[*:1]
Cc1nn(CN2C[C@H](C)O[C@@H](C)C2)c(=S)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(CN2C[C@H](C)O[C@@H](C)C2)c(=S)n1C[*:1]
Cc1nn(CN2C[C@H](C)O[C@@H](C)C2)c(=S)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(CN2C[C@H](C)O[C@@H](C)C2)c(=S)n1[*:1]
Cc1ccc(OC(=O)N2CCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]3C2)cc1 C[C@@H](O)[*:1] Cc1ccc(cc1)OC(=O)N1CCN2C(=O)[C@H](NC(=O)[C@H]2C1)[*:1]
Cc1ccc(OC(=O)N2CCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]3C2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](O)[C@@H]1NC(=O)[C@H]2CN(CCN2C1=O)C(=O)O[*:1]
Cc1ccc(C(=O)OCC(=O)Nc2c(C)cc(SC#N)cc2C)cc1O Cc1ccc(cc1O)[*:1] Cc1cc(cc(C)c1NC(=O)COC(=O)[*:1])SC#N
Cc1ccc(C(=O)OCC(=O)Nc2c(C)cc(SC#N)cc2C)cc1O N#CS[*:1] Cc1ccc(cc1O)C(=O)OCC(=O)Nc1c(C)cc(cc1C)[*:1]
COCC(=O)N1CC[NH+]([C@@H]2CC[C@H](C)C2)CC1 COC[*:1] C[C@H]1CC[C@H](C1)[NH+]1CCN(CC1)C(=O)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)C1 Fc1ccccc1[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCCC[NH+]1CCN(CC1)[*:1]
[NH3+][C@@H](c1ccn(CCC(F)(F)F)c1)C1CC1 C1CC1[*:1] [NH3+][C@@H](c1ccn(c1)CCC(F)(F)F)[*:1]
[NH3+][C@@H](c1ccn(CCC(F)(F)F)c1)C1CC1 FC(F)(F)C[*:1] [NH3+][C@@H](c1ccn(c1)C[*:1])C1CC1
[NH3+][C@@H](c1ccn(CCC(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] [NH3+][C@@H](c1ccn(c1)CC[*:1])C1CC1
CCOCCC(=O)Nc1ccnn1C1CC[NH+](CC)CC1 CCOC[*:1] CC[NH+]1CCC(CC1)n1nccc1NC(=O)C[*:1]
CCOCCC(=O)Nc1ccnn1C1CC[NH+](CC)CC1 CCOCC[*:1] CC[NH+]1CCC(CC1)n1nccc1NC(=O)[*:1]
CCOCCC(=O)Nc1ccnn1C1CC[NH+](CC)CC1 CCO[*:1] CC[NH+]1CCC(CC1)n1nccc1NC(=O)CC[*:1]
C[C@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)c1nccs1 Fc1ccc(cc1)[*:1] C[C@H](OC(=O)c1csc(n1)[*:1])c1nccs1
C[C@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)c1csc(n1)-c1ccc(F)cc1)[*:1]
CC(C)C(=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 CC(C)[*:1] O=C(N(Cc1ccc2cc[nH]c2c1)C1CC1)[*:1]
CC(C)C(=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 C1CC1[*:1] CC(C)C(=O)N(Cc1ccc2cc[nH]c2c1)[*:1]
CC[C@H]([NH3+])[C@H](SC[C@H](O)CO)C(F)(F)F OC[C@@H](O)[*:1] CC[C@H]([NH3+])[C@H](SC[*:1])C(F)(F)F
CC[C@H]([NH3+])[C@H](SC[C@H](O)CO)C(F)(F)F OC[C@@H](O)C[*:1] CC[C@H]([NH3+])[C@H](S[*:1])C(F)(F)F
CC[C@H]([NH3+])[C@H](SC[C@H](O)CO)C(F)(F)F FC(F)(F)[*:1] CC[C@H]([NH3+])[C@H](SC[C@H](O)CO)[*:1]
CC(C)(c1nnnn1-c1cccc(C(F)(F)F)c1)N1CCOCC1 FC(F)(F)[*:1] CC(C)(c1nnnn1-c1cccc(c1)[*:1])N1CCOCC1
CC(C)(c1nnnn1-c1cccc(C(F)(F)F)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(c1nnnn1-c1cccc(c1)C(F)(F)F)[*:1]
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] O=C(Nc1ccc(cc1)-c1cn2ccsc2n1)[*:1]
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1c(F)cccc1Cl c1cn2cc(nc2s1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1c(F)cccc1Cl
CCN1C(=O)/C(=C\c2ccc[nH]2)S/C1=N\c1ccncc1Cl Clc1cnccc1[*:1] CCN1C(=O)/C(=C\c2ccc[nH]2)SC1=N[*:1]
CCN1C(=O)/C(=C\c2ccc[nH]2)S/C1=N\c1ccncc1Cl c1c[nH]c(c1)[*:1] CCN1C(=O)C(=C[*:1])S/C1=N\c1ccncc1Cl
Cc1ncn(C[C@@H](C)[NH2+]CCCS(C)(=O)=O)c1C CS(=O)(=O)CC[*:1] Cc1ncn(C[C@@H](C)[NH2+]C[*:1])c1C
Cc1ncn(C[C@@H](C)[NH2+]CCCS(C)(=O)=O)c1C CS(=O)(=O)[*:1] Cc1ncn(C[C@@H](C)[NH2+]CCC[*:1])c1C
Cc1ncn(C[C@@H](C)[NH2+]CCCS(C)(=O)=O)c1C CS(=O)(=O)C[*:1] Cc1ncn(C[C@@H](C)[NH2+]CC[*:1])c1C
CC(C)S(=O)(=O)Oc1ccc2c(c1)ncn2C CC(C)[*:1] Cn1cnc2cc(ccc21)OS(=O)(=O)[*:1]
CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)s1 CSc1nnc(s1)[*:1] C[C@@H](Oc1ccc(cc1)-c1ccccc1)C(=O)N[*:1]
CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)s1 c1ccc(cc1)[*:1] CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(cc2)[*:1])s1
CCc1ccc(OCCCC(=O)Nc2nccs2)c(Br)c1 c1csc(n1)[*:1] CCc1ccc(OCCCC(=O)N[*:1])c(Br)c1
O=C(N[C@H](C(=O)N/N=C\c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](C(=O)NN=C[*:1])c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C(N[C@H](C(=O)N/N=C\c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(N/N=C\c1ccccc1)[C@H](c1n[nH]c(=O)c2ccccc12)[*:1]
O=C(N[C@H](C(=O)N/N=C\c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C\c1ccccc1)[C@@H](NC(=O)[*:1])c1n[nH]c(=O)c2ccccc12
CCOC(=O)Nc1ccc(NC(=O)N(C)CC2CC2)cc1 C1CC1[*:1] CCOC(=O)Nc1ccc(cc1)NC(=O)N(C)C[*:1]
CCOC(=O)Nc1ccc(NC(=O)N(C)CC2CC2)cc1 CCOC(=O)N[*:1] CN(CC1CC1)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)Nc1ccc(NC(=O)N(C)CC2CC2)cc1 C1CC1C[*:1] CCOC(=O)Nc1ccc(cc1)NC(=O)N(C)[*:1]
CCCC1CCC(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)CC1 CCC[*:1] O=C(c1cnccn1)N1CCC(CC1)[NH2+]CC1CCC(CC1)[*:1]
CCCC1CCC(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)CC1 c1cnc(cn1)[*:1] CCCC1CCC(CC1)C[NH2+]C1CCN(CC1)C(=O)[*:1]
O=C(NOC1CCCC1)Nc1ccc(F)cc1F C1CCC(C1)[*:1] O=C(NO[*:1])Nc1ccc(F)cc1F
C[C@@H]1CC(C)(C)N2C(=O)[C@H](Oc3ccccc3)[C@]2(c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CC(C)(C)N2C(=O)[C@H](Oc3ccccc3)[C@@]2(O1)[*:1]
C[C@@H]1CC(C)(C)N2C(=O)[C@H](Oc3ccccc3)[C@]2(c2ccccc2)O1 c1ccc(cc1)O[*:1] C[C@@H]1CC(C)(C)N2C(=O)[C@H]([C@@]2(O1)c1ccccc1)[*:1]
C[C@@H]1CC(C)(C)N2C(=O)[C@H](Oc3ccccc3)[C@]2(c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CC(C)(C)N2C(=O)[C@H](O[*:1])[C@@]2(O1)c1ccccc1
CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)NC[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)NCc1ccccc1 CC(C)(C)[*:1] O=C(NC[C@H]1CCCCN1C(=O)NCc1ccccc1)O[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)N[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)NCc1ccccc1 CC(C)(C)OC(=O)N[*:1] O=C(NCc1ccccc1)N1CCCC[C@@H]1C[*:1]
NC(=O)c1cnn2c1NC[C@H](C[NH2+][C@@H]1CCOc3ccccc31)C2 NC(=O)[*:1] c1ccc2c(c1)OCC[C@H]2[NH2+]C[C@H]1CNc2c(cnn2C1)[*:1]
CC(C)(CO)CCCNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CC(C)(CO)C[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)NC(=O)NCC[*:1]
CC(C)(CO)CCCNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CC(C)(CO)[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)NC(=O)NCCC[*:1]
CC(C)(CO)CCCNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CC(C)(CO)CC[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)NC(=O)NC[*:1]
CC(C)(CO)CCCNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC(C)(CO)CCCNC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
Cc1csc(=O)n1CCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 Cc1csc(=O)n1CC[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccc(cc2)CNC(=O)[*:1])C1
Cc1csc(=O)n1CCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 Cc1csc(=O)n1[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccc(cc2)CNC(=O)CC[*:1])C1
Cc1csc(=O)n1CCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 Cc1csc(=O)n1C[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccc(cc2)CNC(=O)C[*:1])C1
FC(F)(F)[C@@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)CCO1 c1ccc(cc1)[*:1] FC(F)(F)[C@@H]1CN(CCO1)Cc1ccc(cc1)OCC[*:1]
FC(F)(F)[C@@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)CCO1 c1ccc(cc1)CC[*:1] FC(F)(F)[C@@H]1CN(CCO1)Cc1ccc(cc1)O[*:1]
FC(F)(F)[C@@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)CCO1 FC(F)(F)[*:1] c1ccc(cc1)CCOc1ccc(cc1)CN1CCO[C@@H](C1)[*:1]
FC(F)(F)[C@@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)CCO1 c1ccc(cc1)C[*:1] FC(F)(F)[C@@H]1CN(CCO1)Cc1ccc(cc1)OC[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N3CCC(NC(=O)c4cnn(C)c4)CC3)s2)o1 Cn1cc(cn1)[*:1] Cc1ccc(o1)-c1nc(C)c(s1)C(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N3CCC(NC(=O)c4cnn(C)c4)CC3)s2)o1 Cc1ccc(o1)[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)NC(=O)c1cnn(C)c1)[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N3CCC(NC(=O)c4cnn(C)c4)CC3)s2)o1 Cn1cc(cn1)C(=O)N[*:1] Cc1ccc(o1)-c1nc(C)c(s1)C(=O)N1CCC(CC1)[*:1]
CNC(=O)c1cccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)NCC1(CCCCC1)[NH+]1CCCCC1
C[C@@H](c1ccccc1F)N(C)C(=O)CN(C)C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)CN(C)C(=O)[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)CN(C)C(=O)c1ccccc1 Fc1ccccc1[*:1] C[C@@H](N(C)C(=O)CN(C)C(=O)c1ccccc1)[*:1]
O=C(NCc1ccco1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 c1cn(cn1)[*:1] O=C(NCc1ccco1)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
O=C(NCc1ccco1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1ccnc1
O=C(NCc1ccco1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1ccnc1
Cc1ccccc1-c1nnc(CS(=O)(=O)Cc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccccc1-c1nnc(CS(=O)(=O)C[*:1])o1
Cc1ccccc1-c1nnc(CS(=O)(=O)Cc2ccccc2)o1 c1ccc(cc1)C[*:1] Cc1ccccc1-c1nnc(CS(=O)(=O)[*:1])o1
Cc1ccccc1-c1nnc(CS(=O)(=O)Cc2ccccc2)o1 Cc1ccccc1[*:1] O=S(=O)(Cc1ccccc1)Cc1nnc(o1)[*:1]
Cc1ccnc2c1nc(CCCl)n2CCC1CCCCC1 C1CCC(CC1)C[*:1] Cc1ccnc2c1nc(CCCl)n2C[*:1]
Cc1ccnc2c1nc(CCCl)n2CCC1CCCCC1 C1CCC(CC1)[*:1] Cc1ccnc2c1nc(CCCl)n2CC[*:1]
Cc1ccnc2c1nc(CCCl)n2CCC1CCCCC1 ClCC[*:1] Cc1ccnc2c1nc(n2CCC1CCCCC1)[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Cl)cc2)C1 O=C(Cl)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccccc1C(=O)NCC1CCN(c2nc3ccccc3o2)CC1 COc1ccccc1[*:1] O=C(NCC1CCN(CC1)c1nc2ccccc2o1)[*:1]
COc1ccccc1C(=O)NCC1CCN(c2nc3ccccc3o2)CC1 c1ccc2oc(nc2c1)[*:1] COc1ccccc1C(=O)NCC1CCN(CC1)[*:1]
C[C@@H]([NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CCCC1 C1CCC(C1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)S(=O)(=O)N1CCOCC1)[*:1]
C/[NH+]=C(/NCc1sc(C)nc1C)N[C@H](C)c1ccccc1 Cc1nc(C)c(s1)[*:1] C/[NH+]=C(/NC[*:1])N[C@H](C)c1ccccc1
C/[NH+]=C(/NCc1sc(C)nc1C)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCc1sc(C)nc1C)N[C@H](C)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1 C1CN(CCO1)C[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1C[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1 Fc1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1CCN1CCOCC1)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1 C1CN(CCO1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CC[*:1]
CCOC(=O)[C@@H]1CCCN(c2ncnc(Nc3cc(C)cc(C)c3)c2N)C1 CCOC(=O)[*:1] Cc1cc(C)cc(c1)Nc1ncnc(c1N)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(c2ncnc(Nc3cc(C)cc(C)c3)c2N)C1 Cc1cc(C)cc(c1)N[*:1] CCOC(=O)[C@@H]1CCCN(C1)c1ncnc(c1N)[*:1]
CCOC(=O)[C@@H]1CCCN(c2ncnc(Nc3cc(C)cc(C)c3)c2N)C1 Cc1cc(C)cc(c1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)c1ncnc(N[*:1])c1N
COc1cccc(CNC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)n1 C[C@H](c1ccccc1)[*:1] COc1cccc(CNC(=O)N(CC2CCC2)[*:1])n1
COc1cccc(CNC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)n1 c1ccc(cc1)[*:1] COc1cccc(CNC(=O)N(CC2CCC2)[C@H](C)[*:1])n1
COc1cccc(CNC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)n1 C1CC(C1)C[*:1] COc1cccc(CNC(=O)N([C@H](C)c2ccccc2)[*:1])n1
COc1cccc(CNC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)n1 C1CC(C1)[*:1] COc1cccc(CNC(=O)N(C[*:1])[C@H](C)c2ccccc2)n1
COc1cccc(CNC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)n1 COc1cccc(n1)[*:1] C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NC[*:1]
Cc1ccc(C)c(N2CCN(C(=O)c3nnc(Cc4ccc(Cl)cc4Cl)o3)CC2)c1 Clc1ccc(c(Cl)c1)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1nnc(C[*:1])o1
Cc1ccc(C)c(N2CCN(C(=O)c3nnc(Cc4ccc(Cl)cc4Cl)o3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(c1nnc(Cc2ccc(Cl)cc2Cl)o1)N1CCN(CC1)[*:1]
Cc1ccc(C)c(N2CCN(C(=O)c3nnc(Cc4ccc(Cl)cc4Cl)o3)CC2)c1 Clc1ccc(C[*:1])c(Cl)c1 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1nnc(o1)[*:1]
NC(=O)c1cnc(NCCC[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1 NC(=O)[*:1] Clc1cc(cnc1NCCC[NH+]1CCN(CC1)c1ncccn1)[*:1]
NC(=O)c1cnc(NCCC[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1 c1cnc(nc1)[*:1] NC(=O)c1cnc(NCCC[NH+]2CCN(CC2)[*:1])c(Cl)c1
CSC[C@](C)(O)CNS(=O)(=O)Cc1ccc(Cl)cc1 CSC[*:1] C[C@](O)(CNS(=O)(=O)Cc1ccc(Cl)cc1)[*:1]
Cc1cnc(C[NH+](C)CCCc2cc(-c3ccc(F)cc3)[nH]n2)o1 Fc1ccc(cc1)[*:1] Cc1cnc(C[NH+](C)CCCc2cc([nH]n2)[*:1])o1
Cc1cnc(C[NH+](C)CCCc2cc(-c3ccc(F)cc3)[nH]n2)o1 Cc1cnc(o1)[*:1] C[NH+](CCCc1cc([nH]n1)-c1ccc(F)cc1)C[*:1]
CCNC(=O)N1CCN(CC(=O)N(C)C2CCC(C)CC2)CC1 CC1CCC(CC1)[*:1] CCNC(=O)N1CCN(CC1)CC(=O)N(C)[*:1]
Cn1ccs/c1=N\C(=O)CCNC(=O)c1ccco1 c1coc(c1)[*:1] Cn1ccs/c1=N\C(=O)CCNC(=O)[*:1]
COC(=O)c1ccc(COc2cccc3c2CCN(Cc2ccccc2F)C3=O)o1 COC(=O)c1ccc(o1)[*:1] O=C1c2cccc(OC[*:1])c2CCN1Cc1ccccc1F
COC(=O)c1ccc(COc2cccc3c2CCN(Cc2ccccc2F)C3=O)o1 COC(=O)[*:1] O=C1c2cccc(OCc3ccc(o3)[*:1])c2CCN1Cc1ccccc1F
COC(=O)c1ccc(COc2cccc3c2CCN(Cc2ccccc2F)C3=O)o1 COC(=O)c1ccc(C[*:1])o1 O=C1c2cccc(O[*:1])c2CCN1Cc1ccccc1F
COC(=O)c1ccc(COc2cccc3c2CCN(Cc2ccccc2F)C3=O)o1 Fc1ccccc1[*:1] COC(=O)c1ccc(COc2cccc3C(=O)N(CCc23)C[*:1])o1
COC(=O)c1ccc(COc2cccc3c2CCN(Cc2ccccc2F)C3=O)o1 Fc1ccccc1C[*:1] COC(=O)c1ccc(COc2cccc3C(=O)N(CCc23)[*:1])o1
COc1ccc(OC)c2c1CN(c1cccc(F)c1[N+](=O)[O-])C[C@@H]2O O=[N+]([O-])[*:1] COc1ccc(OC)c2c1CN(C[C@@H]2O)c1cccc(F)c1[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCN(c3ccccc3)CC2)cc1C Cc1ccc(cc1C)S(=O)(=O)[*:1] N#C[C@@H](c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCN(c3ccccc3)CC2)cc1C Cc1ccc(cc1C)[*:1] N#C[C@@H](c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCN(c3ccccc3)CC2)cc1C c1ccc(cc1)N1CCN(CC1)[*:1] Cc1ccc(cc1C)S(=O)(=O)[C@@H](C#N)c1nc2ccccc2nc1[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCN(c3ccccc3)CC2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(CC1)[*:1]
O=S(=O)(CCCF)NCCc1cccc(Cl)c1 FCC[*:1] O=S(=O)(C[*:1])NCCc1cccc(Cl)c1
O=S(=O)(CCCF)NCCc1cccc(Cl)c1 FCCC[*:1] O=S(=O)(NCCc1cccc(Cl)c1)[*:1]
C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 O=S(=O)(N1CCCCC1)[*:1] C[C@H](CNC(=O)c1ccc(cc1)[*:1])c1ccccc1
C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 C[C@H](C[*:1])c1ccccc1 O=C(N[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(NC[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
O=C(c1ccc(F)cc1)N(Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] O=C(N(Cc1ccc(o1)-c1cccc(c1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(c1ccc(F)cc1)N(Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@@H]1CCS(=O)(=O)C1 FC(F)(F)c1cccc(c1)[*:1] O=C(c1ccc(F)cc1)N(Cc1ccc(o1)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(c1ccc(F)cc1)N(Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] O=C(c1ccc(F)cc1)N(Cc1ccc(o1)-c1cccc(c1)[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cccc(F)c1 c1csc(c1)[*:1] CC(C)[C@@H](NS(=O)(=O)[*:1])C(=O)NCc1cccc(F)c1
CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cccc(F)c1 CC(C)[*:1] O=C(NCc1cccc(F)c1)[C@H](NS(=O)(=O)c1cccs1)[*:1]
CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[*:1]
CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cccc(F)c1 Fc1cccc(c1)C[*:1] CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)s1 Fc1ccccc1[*:1] Cc1ccc(s1)S(=O)(=O)NCC[NH+]1CCN(CC1)[*:1]
Cc1ccc(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)s1 Cc1ccc(s1)[*:1] O=S(=O)(NCC[NH+]1CCN(CC1)c1ccccc1F)[*:1]
Cc1nc2c(ccc3nc(NC(=O)c4ccc(C(=O)c5ccccc5)cc4)sc32)s1 c1ccc(cc1)[*:1] Cc1nc2c(ccc3nc(NC(=O)c4ccc(cc4)C(=O)[*:1])sc32)s1
Cc1nc2c(ccc3nc(NC(=O)c4ccc(C(=O)c5ccccc5)cc4)sc32)s1 O=C(c1ccccc1)[*:1] Cc1nc2c(ccc3nc(NC(=O)c4ccc(cc4)[*:1])sc32)s1
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 O=[N+]([O-])[*:1] O=C(NNc1ccccc1[*:1])[C@H]1CCCc2ccccc21
Cc1ccc(NC(=O)N(C)CC(C)(C)O)cc1OC(F)F FC(F)[*:1] Cc1ccc(cc1O[*:1])NC(=O)N(C)CC(C)(C)O
Cc1ccc(NC(=O)N(C)CC(C)(C)O)cc1OC(F)F CC(C)(O)C[*:1] Cc1ccc(cc1OC(F)F)NC(=O)N(C)[*:1]
Cc1ccc(NC(=O)N(C)CC(C)(C)O)cc1OC(F)F FC(F)O[*:1] Cc1ccc(cc1[*:1])NC(=O)N(C)CC(C)(C)O
Cc1ccc(NC(=O)N(C)CC(C)(C)O)cc1OC(F)F CC(C)(O)[*:1] Cc1ccc(cc1OC(F)F)NC(=O)N(C)C[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccccc2C(F)(F)F)c1 CN(C)S(=O)(=O)[*:1] O=C(OCc1ccccc1C(F)(F)F)c1cc(ccc1Cl)[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)OCc1ccccc1[*:1]
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@H](C)c1cccs1 c1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)NC(=O)[C@H](C)c1cccs1)[*:1]
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@H](C)c1cccs1 c1csc(c1)[*:1] Cc1nc(sc1[C@H](C)NC(=O)[C@H](C)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@H](C)c1cccs1 C[C@H](c1cccs1)[*:1] Cc1nc(sc1[C@H](C)NC(=O)[*:1])-c1ccccc1
Cc1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])N1CCC[C@@H](C1)[NH+]1CCCC1
CCCCOc1ccc(C(=O)Nc2[nH]nc(C)c2N)cc1 Cc1n[nH]c(c1N)[*:1] CCCCOc1ccc(cc1)C(=O)N[*:1]
CCCCOc1ccc(C(=O)Nc2[nH]nc(C)c2N)cc1 CCC[*:1] Cc1n[nH]c(NC(=O)c2ccc(cc2)OC[*:1])c1N
CCCCOc1ccc(C(=O)Nc2[nH]nc(C)c2N)cc1 CCCC[*:1] Cc1n[nH]c(NC(=O)c2ccc(cc2)O[*:1])c1N
CCCCOc1ccc(C(=O)Nc2[nH]nc(C)c2N)cc1 CCCCO[*:1] Cc1n[nH]c(NC(=O)c2ccc(cc2)[*:1])c1N
CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3cccc4cccnc34)ccc2Br)CC1 CC1CCN(CC1)S(=O)(=O)[*:1] O=C(Nc1cccc2cccnc12)c1ccc(Br)c(c1)[*:1]
CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3cccc4cccnc34)ccc2Br)CC1 c1cnc2c(cccc2c1)[*:1] CC1CCN(CC1)S(=O)(=O)c1cc(ccc1Br)C(=O)N[*:1]
Cc1cc([C@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 c1coc(c1)[*:1] Cc1cc(c(NC(=O)[*:1])s1)[C@H](Nc1cccc[nH+]1)c1ccc(F)cc1
Cc1cc([C@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 Fc1ccc(cc1)[*:1] Cc1cc(c(NC(=O)c2ccco2)s1)[C@H](Nc1cccc[nH+]1)[*:1]
Cc1cc([C@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 O=C(N[*:1])c1ccco1 Cc1cc(c(s1)[*:1])[C@H](Nc1cccc[nH+]1)c1ccc(F)cc1
COc1cccc(C(=O)NC[C@H](O)c2cccn2C)c1 Cn1cccc1[*:1] COc1cccc(c1)C(=O)NC[C@H](O)[*:1]
O=c1[nH]c(CSc2nnnn2C[C@H]2CCCO2)nc2scc(-c3ccc(Cl)cc3)c12 Clc1ccc(cc1)[*:1] O=c1[nH]c(CSc2nnnn2C[C@H]2CCCO2)nc2scc(c12)[*:1]
CCC[NH2+][C@H](c1cncc2ccccc12)C(C)(C)OC CCC[*:1] COC(C)(C)[C@H]([NH2+][*:1])c1cncc2ccccc12
CCC[NH2+][C@H](c1cncc2ccccc12)C(C)(C)OC COC(C)(C)[*:1] CCC[NH2+][C@H](c1cncc2ccccc12)[*:1]
C[C@H](Nc1ccn(CC[NH+](C)C)n1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](Nc1ccn(CC[NH+](C)C)n1)[*:1]
Cc1ccc2[nH]c(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)[nH+]c2c1 Fc1ccc(c(F)c1)[*:1] Cc1ccc2[nH]c([nH+]c2c1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(-c2nnc(NC(=O)C(=O)NCc3ccccc3F)s2)c(C)c1 Fc1ccccc1C[*:1] Cc1ccc(-c2nnc(NC(=O)C(=O)N[*:1])s2)c(C)c1
Cc1ccc(-c2nnc(NC(=O)C(=O)NCc3ccccc3F)s2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NCc1ccccc1F)C(=O)Nc1nnc(s1)[*:1]
Cc1ccc(-c2nnc(NC(=O)C(=O)NCc3ccccc3F)s2)c(C)c1 Fc1ccccc1[*:1] Cc1ccc(-c2nnc(NC(=O)C(=O)NC[*:1])s2)c(C)c1
CC[C@H](C)CN(CC)C(=O)c1ccc(/C=C/C(=O)[O-])cn1 O=C([O-])C=C[*:1] CC[C@H](C)CN(CC)C(=O)c1ccc(cn1)[*:1]
CC[C@H](C)CN(CC)C(=O)c1ccc(/C=C/C(=O)[O-])cn1 O=C([O-])[*:1] CC[C@H](C)CN(CC)C(=O)c1ccc(C=C[*:1])cn1
CC[C@H](C)CN(CC)C(=O)c1ccc(/C=C/C(=O)[O-])cn1 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)c1ccc(/C=C/C(=O)[O-])cn1
CC[C@H](C)CN(CC)C(=O)c1ccc(/C=C/C(=O)[O-])cn1 CC[C@H](C)C[*:1] CCN(C(=O)c1ccc(/C=C/C(=O)[O-])cn1)[*:1]
COc1ccc([C@H]2SCC(=O)N2CCN2C(=O)CS[C@@H]2c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1SCC(=O)N1CCN1C(=O)CS[C@@H]1[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1cccc(Cl)c1C Fc1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)Nc1cccc(Cl)c1C)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1cccc(Cl)c1C Cc1c(Cl)cccc1[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[*:1]
CCC(=O)Cn1cnc(C2CCC2)cc1=O CCC(=O)C[*:1] O=c1cc(ncn1[*:1])C1CCC1
CCC(=O)Cn1cnc(C2CCC2)cc1=O C1CC(C1)[*:1] CCC(=O)Cn1cnc(cc1=O)[*:1]
CCC(=O)Cn1cnc(C2CCC2)cc1=O CCC(=O)[*:1] O=c1cc(ncn1C[*:1])C1CCC1
CC1(C)NCC[C@@H]1[NH2+]CCCOc1cccnc1 c1cncc(c1)[*:1] CC1(C)NCC[C@@H]1[NH2+]CCCO[*:1]
O=C(CCSc1ccc(F)cc1)Nc1nnc(-c2ccc(Br)s2)o1 Fc1ccc(cc1)S[*:1] O=C(CC[*:1])Nc1nnc(o1)-c1ccc(Br)s1
O=C(CCSc1ccc(F)cc1)Nc1nnc(-c2ccc(Br)s2)o1 Brc1ccc(s1)[*:1] O=C(CCSc1ccc(F)cc1)Nc1nnc(o1)[*:1]
O=C(CCSc1ccc(F)cc1)Nc1nnc(-c2ccc(Br)s2)o1 Fc1ccc(cc1)[*:1] O=C(CCS[*:1])Nc1nnc(o1)-c1ccc(Br)s1
CCOCc1nnc(NC(=O)C[C@H](C)c2ccccc2)s1 CCO[*:1] C[C@@H](CC(=O)Nc1nnc(C[*:1])s1)c1ccccc1
CCOCc1nnc(NC(=O)C[C@H](C)c2ccccc2)s1 CCOC[*:1] C[C@@H](CC(=O)Nc1nnc(s1)[*:1])c1ccccc1
CCOCc1nnc(NC(=O)C[C@H](C)c2ccccc2)s1 c1ccc(cc1)[*:1] CCOCc1nnc(NC(=O)C[C@H](C)[*:1])s1
O=C(NCCc1nc2ccccc2[nH]1)c1c[nH]nc1-c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCCc1nc2ccccc2[nH]1)c1c[nH]nc1[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)OC2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(C)CC(=O)O[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)OC2CCCCC2)cc1 CC(=O)[*:1] CN(CC(=O)OC1CCCCC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC[C@H](C(=O)N1CCCc2sccc2C1)N1CCCC1=O O=C1CCCN1[*:1] CC[C@H](C(=O)N1CCCc2sccc2C1)[*:1]
CC[C@H](C(=O)Nc1c(C)cc(N)cc1C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1c(C)cc(N)cc1C)[*:1]
CCc1noc(CC)c1CNC(=O)N(C)[C@@H](C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1noc(CC)c1CNC(=O)N(C)[C@@H](C)[*:1]
COC[C@H](C)NC(=O)c1csc(-c2cccc(OC)c2OC)n1 COC[*:1] COc1cccc(-c2nc(cs2)C(=O)N[C@@H](C)[*:1])c1OC
COC[C@H](C)NC(=O)c1csc(-c2cccc(OC)c2OC)n1 COC[C@H](C)[*:1] COc1cccc(-c2nc(cs2)C(=O)N[*:1])c1OC
CC(=O)c1sc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)nc1C CC(=O)[*:1] Cc1nc(sc1[*:1])N1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(F)cc1
CC(=O)c1sc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)nc1C Fc1ccc(cc1)[*:1] CC(=O)c1sc(nc1C)N1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1[*:1]
CC(=O)c1sc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)nc1C CC(=O)c1sc(nc1C)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1[*:1]
C[C@@H](CO)CS[C@H](C)C[C@@H](C)[NH3+] C[C@@H](CO)[*:1] C[C@@H]([NH3+])C[C@@H](C)SC[*:1]
CC(C)NS(=O)(=O)c1ccccc1S[C@H](C)CCO OCC[*:1] CC(C)NS(=O)(=O)c1ccccc1S[C@H](C)[*:1]
CC(C)NS(=O)(=O)c1ccccc1S[C@H](C)CCO C[C@H](CCO)S[*:1] CC(C)NS(=O)(=O)c1ccccc1[*:1]
CC(C)NS(=O)(=O)c1ccccc1S[C@H](C)CCO C[C@H](CCO)[*:1] CC(C)NS(=O)(=O)c1ccccc1S[*:1]
CC(C)NS(=O)(=O)c1ccccc1S[C@H](C)CCO CC(C)[*:1] C[C@H](CCO)Sc1ccccc1S(=O)(=O)N[*:1]
CCc1ccc([C@H](C)[NH2+]Cc2c(CC)nn(C)c2OC)s1 CCc1ccc(s1)[*:1] CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)[*:1]
CCCCOC(=O)Cn1cnc2ccccc2c1=O CCC[*:1] O=C(Cn1cnc2ccccc2c1=O)OC[*:1]
CCCCOC(=O)Cn1cnc2ccccc2c1=O CCCC[*:1] O=C(Cn1cnc2ccccc2c1=O)O[*:1]
CCOC(=O)c1cn([C@@H](C)c2cnn(C)c2)cc(Oc2ccccc2)c1=O c1ccc(cc1)O[*:1] CCOC(=O)c1cn(cc(c1=O)[*:1])[C@@H](C)c1cnn(C)c1
CCOC(=O)c1cn([C@@H](C)c2cnn(C)c2)cc(Oc2ccccc2)c1=O c1ccc(cc1)[*:1] CCOC(=O)c1cn(cc(O[*:1])c1=O)[C@@H](C)c1cnn(C)c1
CCOC(=O)c1cn([C@@H](C)c2cnn(C)c2)cc(Oc2ccccc2)c1=O CCOC(=O)[*:1] C[C@@H](c1cnn(C)c1)n1cc(Oc2ccccc2)c(=O)c(c1)[*:1]
CCOC(=O)c1cn([C@@H](C)c2cnn(C)c2)cc(Oc2ccccc2)c1=O Cn1cc(cn1)[*:1] CCOC(=O)c1cn(cc(Oc2ccccc2)c1=O)[C@@H](C)[*:1]
O=C(NCCc1cccs1)C1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 c1csc(c1)C[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1
O=C(NCCc1cccs1)C1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 C1CC1[*:1] O=C(NCCc1cccs1)C1CCN(CC1)C(=O)c1cc2ccccc2cc1NC(=O)[*:1]
O=C(NCCc1cccs1)C1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 O=C(N[*:1])C1CC1 O=C(NCCc1cccs1)C1CCN(CC1)C(=O)c1cc2ccccc2cc1[*:1]
O=C(NCCc1cccs1)C1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 c1csc(c1)[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1
O=C(NCCc1cccs1)C1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 O=C(NCCc1cccs1)[*:1] O=C(Nc1cc2ccccc2cc1C(=O)N1CCC(CC1)[*:1])C1CC1
O=C(NCCc1cccs1)C1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 c1csc(c1)CC[*:1] O=C(Nc1cc2ccccc2cc1C(=O)N1CCC(CC1)C(=O)N[*:1])C1CC1
C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(O)cc1 Cc1ccc(cc1Cl)[*:1] C=CCn1c(nnc1-c1ccc(O)cc1)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(O)cc1 C=CC[*:1] Cc1ccc(cc1Cl)NC(=O)CSc1nnc(-c2ccc(O)cc2)n1[*:1]
C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1ccc(C)c(Cl)c1
COC[C@@H]1CCCN(C(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C1 COC[*:1] CC(C)(C)c1nnc(NC(=O)C(=O)N2CCC[C@H](C2)[*:1])s1
COC[C@@H]1CCCN(C(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C1 CC(C)(C)[*:1] COC[C@@H]1CCCN(C1)C(=O)C(=O)Nc1nnc(s1)[*:1]
Cc1c(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)cnn1C FC(F)(F)[*:1] Cc1c(cnn1C)NC(=O)[C@H](C)n1nc(c(Cl)c1C)[*:1]
Cc1c(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)cnn1C Cc1c(cnn1C)[*:1] Cc1c(Cl)c(nn1[C@@H](C)C(=O)N[*:1])C(F)(F)F
CCCC[C@@H](COC)[NH2+][C@H]1COc2ccc(C)cc21 COC[*:1] CCCC[C@@H]([NH2+][C@H]1COc2ccc(C)cc21)[*:1]
CCCC[C@@H](COC)[NH2+][C@H]1COc2ccc(C)cc21 CCCC[*:1] COC[C@@H]([NH2+][C@H]1COc2ccc(C)cc21)[*:1]
CCCC[C@@H](COC)[NH2+][C@H]1COc2ccc(C)cc21 CCC[*:1] COC[C@H](C[*:1])[NH2+][C@H]1COc2ccc(C)cc21
CC(C)OCCCNC(=O)N[C@@H]1CCSc2c(F)cccc21 CC(C)[*:1] O=C(NCCCO[*:1])N[C@@H]1CCSc2c(F)cccc21
CC(C)OCCCNC(=O)N[C@@H]1CCSc2c(F)cccc21 CC(C)OCCC[*:1] O=C(N[C@@H]1CCSc2c(F)cccc21)N[*:1]
CC(C)OCCCNC(=O)N[C@@H]1CCSc2c(F)cccc21 CC(C)OCC[*:1] O=C(NC[*:1])N[C@@H]1CCSc2c(F)cccc21
CC(C)OCCCNC(=O)N[C@@H]1CCSc2c(F)cccc21 CC(C)O[*:1] O=C(NCCC[*:1])N[C@@H]1CCSc2c(F)cccc21
CC(C)OCCCNC(=O)N[C@@H]1CCSc2c(F)cccc21 CC(C)OC[*:1] O=C(NCC[*:1])N[C@@H]1CCSc2c(F)cccc21
CC1CCC(N(C)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CC1 O=C1CCCN1[*:1] CC1CCC(CC1)N(C)C(=O)Nc1cc(ccc1Cl)[*:1]
CC1CCC(N(C)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CC1 CC1CCC(CC1)[*:1] CN(C(=O)Nc1cc(ccc1Cl)N1CCCC1=O)[*:1]
CCc1cccc(CC)c1NC(=O)Cn1c(=O)nc(-c2cccs2)c2nc(N3CCCC3)sc21 C1CCN(C1)[*:1] CCc1cccc(CC)c1NC(=O)Cn1c(=O)nc(-c2cccs2)c2nc(sc21)[*:1]
CCc1cccc(CC)c1NC(=O)Cn1c(=O)nc(-c2cccs2)c2nc(N3CCCC3)sc21 CCc1cccc(CC)c1[*:1] O=C(Cn1c(=O)nc(-c2cccs2)c2nc(sc21)N1CCCC1)N[*:1]
CCc1cccc(CC)c1NC(=O)Cn1c(=O)nc(-c2cccs2)c2nc(N3CCCC3)sc21 c1csc(c1)[*:1] CCc1cccc(CC)c1NC(=O)Cn1c(=O)nc(c2nc(sc21)N1CCCC1)[*:1]
Cc1csc([C@H](C)NC(=O)CCCNC(=O)C(C)(C)C)n1 CC(C)(C)C(=O)N[*:1] Cc1csc(n1)[C@H](C)NC(=O)CCC[*:1]
Cc1csc([C@H](C)NC(=O)CCCNC(=O)C(C)(C)C)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)CCCNC(=O)C(C)(C)C)[*:1]
Cc1csc([C@H](C)NC(=O)CCCNC(=O)C(C)(C)C)n1 CC(C)(C)[*:1] Cc1csc(n1)[C@H](C)NC(=O)CCCNC(=O)[*:1]
Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])c1cc(cs1)S(=O)(=O)N1CCCCCC1
Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)Nc1ccccc1F Fc1ccccc1[*:1] Cc1cc(ccc1S(=O)(=O)N[*:1])N1C(=O)[C@H](C)CS1(=O)=O
COc1ccc(Cl)c(NC(=O)NCc2cc[nH+]c(N(C)C)c2)c1 CN(C)[*:1] COc1ccc(Cl)c(c1)NC(=O)NCc1cc[nH+]c(c1)[*:1]
Cc1cccc(S(=O)(=O)[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)S(=O)(=O)[C@@H](c1ccccc1)[*:1]
Cc1cccc(S(=O)(=O)[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)[C@@H](C(=O)N1CCCC1)[*:1]
Cc1cccc(S(=O)(=O)[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 Cc1cccc(c1)[*:1] O=C([C@@H](c1ccccc1)S(=O)(=O)[*:1])N1CCCC1
O=C(c1ccccc1SC[C@@H]1CCCO1)N1C[C@H]2CCC[C@@H]2C1 C1CO[C@@H](C1)[*:1] O=C(c1ccccc1SC[*:1])N1C[C@H]2CCC[C@@H]2C1
O=C(c1ccccc1SC[C@@H]1CCCO1)N1C[C@H]2CCC[C@@H]2C1 C1CO[C@@H](C1)C[*:1] O=C(c1ccccc1S[*:1])N1C[C@H]2CCC[C@@H]2C1
O=C(c1ccccc1SC[C@@H]1CCCO1)N1C[C@H]2CCC[C@@H]2C1 C1CO[C@@H](C1)CS[*:1] O=C(c1ccccc1[*:1])N1C[C@H]2CCC[C@@H]2C1
CCc1nn(C)cc1NC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 CCc1nn(C)cc1[*:1] O=C(Nc1cccc(c1)NC(=O)C1CCCCC1)N[*:1]
CCc1nn(C)cc1NC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] CCc1nn(C)cc1NC(=O)Nc1cccc(c1)NC(=O)[*:1]
CCc1nn(C)cc1NC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 O=C(N[*:1])C1CCCCC1 CCc1nn(C)cc1NC(=O)Nc1cccc(c1)[*:1]
C[NH+](C)CC[C@H](NC(=O)c1ccccn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)CC[C@H](NC(=O)c1ccccn1)[*:1]
C[NH+](C)CC[C@H](NC(=O)c1ccccn1)c1ccc(F)cc1 c1ccc(nc1)[*:1] C[NH+](C)CC[C@H](NC(=O)[*:1])c1ccc(F)cc1
Cc1ccc(NC(=O)Cc2cc(C)on2)c(Br)c1 Cc1cc(no1)[*:1] Cc1ccc(NC(=O)C[*:1])c(Br)c1
COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1 Cc1nn(c(C)c1C)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1 COc1ccc(cc1)[*:1] Cc1nn(-c2ccc(nn2)N2CCN(CC2)S(=O)(=O)[*:1])c(C)c1C
Cc1cnccc1CCN[C@@H](C)c1c[nH]c2ccc([N+](=O)[O-])cc12 Cc1cnccc1[*:1] C[C@H](NCC[*:1])c1c[nH]c2ccc(cc12)[N+](=O)[O-]
Cc1cnccc1CCN[C@@H](C)c1c[nH]c2ccc([N+](=O)[O-])cc12 Cc1cnccc1C[*:1] C[C@H](NC[*:1])c1c[nH]c2ccc(cc12)[N+](=O)[O-]
Cc1cnccc1CCN[C@@H](C)c1c[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] Cc1cnccc1CCN[C@@H](C)c1c[nH]c2ccc(cc12)[*:1]
CN(c1nc2ccc([N+](=O)[O-])cc2o1)[C@@H]1CC[NH2+]C1 O=[N+]([O-])[*:1] CN(c1nc2ccc(cc2o1)[*:1])[C@@H]1CC[NH2+]C1
CC(C)[C@H](C(=O)[C@H](C#N)c1ccc(F)cn1)c1cccc(Cl)c1 CC(C)[*:1] N#C[C@@H](C(=O)[C@H](c1cccc(Cl)c1)[*:1])c1ccc(F)cn1
CC(C)[C@H](C(=O)[C@H](C#N)c1ccc(F)cn1)c1cccc(Cl)c1 Fc1ccc(nc1)[*:1] CC(C)[C@H](C(=O)[C@H](C#N)[*:1])c1cccc(Cl)c1
CC(C)[C@H](C(=O)[C@H](C#N)c1ccc(F)cn1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)[C@H](C(=O)[C@H](C#N)c1ccc(F)cn1)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)c1 CC(=O)N[*:1] C[C@@H](NC(=O)Nc1cc(ccc1F)[*:1])C(=O)N1CCCC[C@H]1C
Cn1ccnc1SCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 Clc1ccc(cc1Cl)[*:1] Cn1ccnc1SCC(=O)Nc1nc(cs1)[*:1]
Cn1ccnc1SCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 Cn1ccnc1S[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1
Cn1ccnc1SCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 Cn1ccnc1SC[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[*:1]
Cn1ccnc1SCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 Cn1ccnc1[*:1] O=C(CS[*:1])Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1
CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(-c3ccoc3)c2)C1 CCC[*:1] C[C@H]1CC[C@@H](CN1C(=O)c1cccc(c1)-c1ccoc1)C(=O)NC[*:1]
CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(-c3ccoc3)c2)C1 CCCCNC(=O)[*:1] C[C@H]1CC[C@@H](CN1C(=O)c1cccc(c1)-c1ccoc1)[*:1]
CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(-c3ccoc3)c2)C1 c1cc(co1)[*:1] CCCCNC(=O)[C@H]1CC[C@H](C)N(C1)C(=O)c1cccc(c1)[*:1]
CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(-c3ccoc3)c2)C1 CCCC[*:1] C[C@H]1CC[C@@H](CN1C(=O)c1cccc(c1)-c1ccoc1)C(=O)N[*:1]
COc1cc(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[C@@H]1C[C@H](C)N(C1)[*:1]
Cc1cc([C@H](O)CC2(CC(=O)[O-])CCCC2)ccc1F O=C([O-])[*:1] Cc1cc(ccc1F)[C@H](O)CC1(CCCC1)C[*:1]
Cc1cc([C@H](O)CC2(CC(=O)[O-])CCCC2)ccc1F O=C([O-])C[*:1] Cc1cc(ccc1F)[C@H](O)CC1(CCCC1)[*:1]
Cc1cc(=O)n2nc(-c3ccccc3)nc2n1CC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(=O)n2nc(nc2n1CC(=O)N[*:1])-c1ccccc1
Cc1cc(=O)n2nc(-c3ccccc3)nc2n1CC(=O)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1cc(=O)n2nc(nc2n1CC(=O)Nc1ccc(F)cc1)[*:1]
C=CCCS(=O)(=O)N1CCCc2c(NC(=O)OC(C)(C)C)cccc21 CC(C)(C)[*:1] C=CCCS(=O)(=O)N1CCCc2c(cccc21)NC(=O)O[*:1]
C=CCCS(=O)(=O)N1CCCc2c(NC(=O)OC(C)(C)C)cccc21 CC(C)(C)OC(=O)N[*:1] C=CCCS(=O)(=O)N1CCCc2c1cccc2[*:1]
C=CCCS(=O)(=O)N1CCCc2c(NC(=O)OC(C)(C)C)cccc21 C=CCC[*:1] CC(C)(C)OC(=O)Nc1cccc2c1CCCN2S(=O)(=O)[*:1]
C=CCCS(=O)(=O)N1CCCc2c(NC(=O)OC(C)(C)C)cccc21 C=CC[*:1] CC(C)(C)OC(=O)Nc1cccc2c1CCCN2S(=O)(=O)C[*:1]
C[C@H](CO)CSc1cc(Cl)ccc1C(=O)[O-] C[C@H](CO)C[*:1] O=C([O-])c1ccc(Cl)cc1S[*:1]
C[C@H](CO)CSc1cc(Cl)ccc1C(=O)[O-] O=C([O-])[*:1] C[C@H](CO)CSc1cc(Cl)ccc1[*:1]
C[C@H](CO)CSc1cc(Cl)ccc1C(=O)[O-] C[C@H](CO)[*:1] O=C([O-])c1ccc(Cl)cc1SC[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(CC1)C(=O)[*:1]
O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(OCC(=O)N(C)C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(NC(=O)N[*:1])c(c1)OCC(=O)N(C)C
Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(OCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(c1)O[*:1]
Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(OCC(=O)N(C)C)c1 CN(C)C(=O)CO[*:1] Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(c1)[*:1]
Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(OCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(c1)OC[*:1]
O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 O=C(Nc1ccccn1)[*:1] O=C1c2ccccc2[C@H]([C@@H]2c3ccccc3CCN12)[*:1]
O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 c1ccc(nc1)[*:1] O=C(N[*:1])[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12
CCOCCCNC(=O)C=C1CCSCC1 CCOCC[*:1] O=C(C=C1CCSCC1)NC[*:1]
CCOCCCNC(=O)C=C1CCSCC1 CCOC[*:1] O=C(C=C1CCSCC1)NCC[*:1]
CCOCCCNC(=O)C=C1CCSCC1 CCO[*:1] O=C(C=C1CCSCC1)NCCC[*:1]
Cc1cc(NC(=O)c2cccc3c2OCCO3)nc2nc(C(F)(F)F)nn12 FC(F)(F)[*:1] Cc1cc(nc2nc(nn12)[*:1])NC(=O)c1cccc2OCCOc21
O=C(Nc1ccccn1)c1ccc(-n2ccnn2)cc1 c1ccc(nc1)[*:1] O=C(N[*:1])c1ccc(cc1)-n1ccnn1
O=C(Nc1ccccn1)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(Nc1ccccn1)c1ccc(cc1)[*:1]
Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccc1Cl Clc1cccc(c1)[*:1] Cn1c(CN[*:1])nnc1SCC(=O)Nc1ccccc1Cl
Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccc1Cl Clc1cccc(c1)NC[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccccc1Cl
Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)N[*:1]
Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccc1Cl Clc1cccc(c1)N[*:1] Cn1c(C[*:1])nnc1SCC(=O)Nc1ccccc1Cl
C[C@H]1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)[C@H](C)C1 c1ccc(cc1)[*:1] C[C@H]1CCN(C(=O)/C=C/c2cnn(c2)[*:1])[C@H](C)C1
CCCC[NH2+]CC(=O)Nc1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)NC(=O)C[NH2+]C[*:1]
CCCC[NH2+]CC(=O)Nc1ccc(C)cc1 CCCC[*:1] Cc1ccc(cc1)NC(=O)C[NH2+][*:1]
CCCC[C@@H]([NH2+]Cc1ccccc1)c1cccs1 CCCC[*:1] c1ccc(cc1)C[NH2+][C@@H](c1cccs1)[*:1]
CCCC[C@@H]([NH2+]Cc1ccccc1)c1cccs1 c1csc(c1)[*:1] CCCC[C@@H]([NH2+]Cc1ccccc1)[*:1]
CCCC[C@@H]([NH2+]Cc1ccccc1)c1cccs1 c1ccc(cc1)[*:1] CCCC[C@@H]([NH2+]C[*:1])c1cccs1
CCCC[C@@H]([NH2+]Cc1ccccc1)c1cccs1 CCC[*:1] c1ccc(cc1)C[NH2+][C@H](C[*:1])c1cccs1
C[C@H]([NH2+]C(C)(C)C)C(=O)c1ccc(Cl)cc1 CC(C)(C)[*:1] C[C@H]([NH2+][*:1])C(=O)c1ccc(Cl)cc1
CC(=O)c1ccc(/N=C/c2ccc(C)s2)cc1 CC(=O)[*:1] Cc1ccc(/C=N/c2ccc(cc2)[*:1])s1
CN(C(=O)CCCCCl)C1CC1 ClCC[*:1] CN(C(=O)CC[*:1])C1CC1
CN(C(=O)CCCCCl)C1CC1 ClCCC[*:1] CN(C(=O)C[*:1])C1CC1
CN(C(=O)CCCCCl)C1CC1 C1CC1[*:1] CN(C(=O)CCCCCl)[*:1]
Cc1c(NC(=O)c2cnn(C)c2Cl)c(C(=O)N(C)C)nn1C CN(C)C(=O)[*:1] Cc1c(NC(=O)c2cnn(C)c2Cl)c(nn1C)[*:1]
Cc1c(NC(=O)c2cnn(C)c2Cl)c(C(=O)N(C)C)nn1C Cn1ncc(c1Cl)[*:1] Cc1c(NC(=O)[*:1])c(nn1C)C(=O)N(C)C
COC(=O)Nc1ccc(NC(=O)c2cccc(NCC(C)(C)C)c2C)cc1 COC(=O)N[*:1] Cc1c(cccc1C(=O)Nc1ccc(cc1)[*:1])NCC(C)(C)C
COC(=O)Nc1ccc(NC(=O)c2cccc(NCC(C)(C)C)c2C)cc1 CC(C)(C)[*:1] COC(=O)Nc1ccc(cc1)NC(=O)c1cccc(NC[*:1])c1C
COC(=O)Nc1ccc(NC(=O)c2cccc(NCC(C)(C)C)c2C)cc1 CC(C)(C)C[*:1] COC(=O)Nc1ccc(cc1)NC(=O)c1cccc(N[*:1])c1C
COC(=O)Nc1ccc(NC(=O)c2cccc(NCC(C)(C)C)c2C)cc1 CC(C)(C)CN[*:1] COC(=O)Nc1ccc(cc1)NC(=O)c1cccc(c1C)[*:1]
O=C(CCN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1 C1CC1[*:1] O=C(CCN1CCN(CC1)C(=O)[*:1])Nc1ccccc1
O=C(CCN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCN1CCN(CC1)C(=O)C1CC1)N[*:1]
O=C(/C=C/c1cccs1)NC[C@H]1COC2(CCCCC2)O1 C(=C[*:1])c1cccs1 O=C(NC[C@H]1COC2(CCCCC2)O1)[*:1]
O=C(/C=C/c1cccs1)NC[C@H]1COC2(CCCCC2)O1 c1csc(c1)[*:1] O=C(C=C[*:1])NC[C@H]1COC2(CCCCC2)O1
Cc1nccn1-c1cncc(N[C@H]2CCCN(CC(F)(F)F)C2=O)n1 Cc1nccn1[*:1] O=C1[C@H](CCCN1CC(F)(F)F)Nc1cncc(n1)[*:1]
Cc1nccn1-c1cncc(N[C@H]2CCCN(CC(F)(F)F)C2=O)n1 FC(F)(F)C[*:1] Cc1nccn1-c1cncc(n1)N[C@H]1CCCN(C1=O)[*:1]
Cc1nccn1-c1cncc(N[C@H]2CCCN(CC(F)(F)F)C2=O)n1 FC(F)(F)[*:1] Cc1nccn1-c1cncc(n1)N[C@H]1CCCN(C[*:1])C1=O
C[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[*:1]
C[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[*:1]
CO[C@@H]1CCCN(C(=O)Nc2cccc(COc3cccc(F)c3)c2)C1 Fc1cccc(c1)[*:1] CO[C@@H]1CCCN(C1)C(=O)Nc1cccc(c1)CO[*:1]
CO[C@@H]1CCCN(C(=O)Nc2cccc(COc3cccc(F)c3)c2)C1 Fc1cccc(c1)O[*:1] CO[C@@H]1CCCN(C1)C(=O)Nc1cccc(c1)C[*:1]
CC(=O)c1ccccc1NCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 Cc1ccc(cc1)[*:1] CC(=O)c1ccccc1NCC(=O)N1N=C(C[C@@H]1c1ccco1)[*:1]
CC(=O)c1ccccc1NCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 CC(=O)c1ccccc1N[*:1] Cc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)C[*:1]
CC(=O)c1ccccc1NCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 c1coc(c1)[*:1] CC(=O)c1ccccc1NCC(=O)N1N=C(C[C@H]1[*:1])c1ccc(C)cc1
CC(=O)c1ccccc1NCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 CC(=O)c1ccccc1[*:1] Cc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)CN[*:1]
CC(=O)c1ccccc1NCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 CC(=O)[*:1] Cc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)CNc1ccccc1[*:1]
Cc1nn(C(C)C)cc1-c1cccc2c1O[C@H](C[NH3+])C2 CC(C)[*:1] Cc1nn(cc1-c1cccc2C[C@@H](C[NH3+])Oc21)[*:1]
CCS(=O)(=O)CC(=O)NC[C@H](C)Oc1ccc(C)cc1 CCS(=O)(=O)C[*:1] Cc1ccc(cc1)O[C@@H](C)CNC(=O)[*:1]
CCS(=O)(=O)CC(=O)NC[C@H](C)Oc1ccc(C)cc1 CCS(=O)(=O)[*:1] Cc1ccc(cc1)O[C@@H](C)CNC(=O)C[*:1]
CCC[C@@H]1CN(C(=O)Cc2c(C)nn(CC(C)C)c2C)CCO1 CCC[*:1] Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)Cc2c(C)nn(CC(C)C)c2C)CCO1 CC(C)[*:1] CCC[C@@H]1CN(CCO1)C(=O)Cc1c(C)nn(C[*:1])c1C
CCC[C@@H]1CN(C(=O)Cc2c(C)nn(CC(C)C)c2C)CCO1 CC(C)C[*:1] CCC[C@@H]1CN(CCO1)C(=O)Cc1c(C)nn(c1C)[*:1]
CC(C)(C)[NH2+]CC(=O)OC1CCOCC1 CC(C)(C)[*:1] O=C(C[NH2+][*:1])OC1CCOCC1
O=C(c1cnc2sc(N3CCCCCC3)nn2c1=O)N1CCN(Cc2ccccc2)CC1 C1CCCN(CC1)[*:1] O=C(c1cnc2sc(nn2c1=O)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(c1cnc2sc(N3CCCCCC3)nn2c1=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cnc2sc(nn2c1=O)N1CCCCCC1)N1CCN(CC1)[*:1]
O=C(c1cnc2sc(N3CCCCCC3)nn2c1=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cnc2sc(nn2c1=O)N1CCCCCC1)N1CCN(CC1)C[*:1]
O=C(Nc1cccc(N2CCCCCC2)c1)N1CCOC[C@@H]1C1CC1 C1CCCN(CC1)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCOC[C@@H]1C1CC1
O=C(Nc1cccc(N2CCCCCC2)c1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)N1CCCCCC1)N1CCOC[C@H]1[*:1]
Cc1ccccc1NC(=O)N(C1CC1)[C@@H](C)c1ccco1 Cc1ccccc1[*:1] C[C@@H](c1ccco1)N(C(=O)N[*:1])C1CC1
Cc1ccccc1NC(=O)N(C1CC1)[C@@H](C)c1ccco1 c1coc(c1)[*:1] Cc1ccccc1NC(=O)N(C1CC1)[C@@H](C)[*:1]
Cc1ccccc1NC(=O)N(C1CC1)[C@@H](C)c1ccco1 C1CC1[*:1] Cc1ccccc1NC(=O)N([C@@H](C)c1ccco1)[*:1]
CN(C)C(=O)[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 c1cc2OCCOc2cc1[*:1] CN(C)C(=O)[C@@H](OC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1
CN(C)C(=O)[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](OC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
CN(C)C(=O)[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 CN(C)C(=O)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
C[C@@H](CC(=O)N1CCOC[C@H]1C(N)=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)N1CCOC[C@H]1C(N)=O)C[*:1]
C[C@@H](CC(=O)N1CCOC[C@H]1C(N)=O)Cc1ccc(Cl)cc1 NC(=O)[*:1] C[C@@H](CC(=O)N1CCOC[C@@H]1[*:1])Cc1ccc(Cl)cc1
CCOc1ccccc1-c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1 CCO[*:1] Fc1ccc(cc1)Cn1cc(nn1)-c1noc(n1)-c1ccccc1[*:1]
CCOc1ccccc1-c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1 Fc1ccc(cc1)[*:1] CCOc1ccccc1-c1nc(no1)-c1cn(C[*:1])nn1
CCOc1ccccc1-c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1 CCOc1ccccc1[*:1] Fc1ccc(cc1)Cn1cc(nn1)-c1noc(n1)[*:1]
CCOc1ccccc1-c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1 Fc1ccc(cc1)C[*:1] CCOc1ccccc1-c1nc(no1)-c1cn(nn1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCC[*:1]
Cc1cc(S[C@@H](C)C(=O)Nc2ccccc2)ccc1N c1ccc(cc1)[*:1] Cc1cc(ccc1N)S[C@@H](C)C(=O)N[*:1]
C1=C[C@H](c2cccc(-c3cc(-n4cccn4)ncn3)c2)[NH+]=N1 c1cnn(c1)[*:1] C1=C[C@@H]([NH+]=N1)c1cccc(c1)-c1cc(ncn1)[*:1]
C[C@H](Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)N1CCc2ccccc21 Fc1ccc(cc1)[*:1] C[C@H](Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1[*:1])C(=O)N1CCc2ccccc21
C[C@H](Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)N1CCc2ccccc21 O=C(N1CCc2ccccc21)[*:1] C[C@H](Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1)[*:1]
Cc1nc(C)n(C[C@H](C)C(=O)N2CCN([C@H](c3ccccc3)c3[nH+]ccn3C)CC2)n1 c1ccc(cc1)[*:1] Cc1nc(C)n(C[C@H](C)C(=O)N2CCN(CC2)[C@H](c2[nH+]ccn2C)[*:1])n1
Cc1nc(C)n(C[C@H](C)C(=O)N2CCN([C@H](c3ccccc3)c3[nH+]ccn3C)CC2)n1 Cc1nc(C)n(C[C@H](C)[*:1])n1 Cn1cc[nH+]c1[C@@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
Cc1nc(C)n(C[C@H](C)C(=O)N2CCN([C@H](c3ccccc3)c3[nH+]ccn3C)CC2)n1 Cc1nc(C)n(C[*:1])n1 C[C@H](C(=O)N1CCN(CC1)[C@H](c1ccccc1)c1[nH+]ccn1C)[*:1]
Cc1nc(C)n(C[C@H](C)C(=O)N2CCN([C@H](c3ccccc3)c3[nH+]ccn3C)CC2)n1 Cc1nc(C)n(n1)[*:1] C[C@@H](C[*:1])C(=O)N1CCN(CC1)[C@H](c1ccccc1)c1[nH+]ccn1C
O=C(Nc1ccc([N+](=O)[O-])cn1)Nc1cccc(Cl)c1Cl O=[N+]([O-])[*:1] O=C(Nc1ccc(cn1)[*:1])Nc1cccc(Cl)c1Cl
CC(C)(C)OC(=O)N1CCC[C@@H](c2cc(N)on2)C1 CC(C)(C)[*:1] Nc1cc(no1)[C@@H]1CCCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](c2cc(N)on2)C1 Nc1cc(no1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)[*:1]
CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]c(=O)[nH]c3cc2Cl)cc1 CC(C)[*:1] O=c1[nH]c2cc(Cl)c(cc2[nH]1)[N-]S(=O)(=O)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]c(=O)[nH]c3cc2Cl)cc1 CC(C)C[*:1] O=c1[nH]c2cc(Cl)c(cc2[nH]1)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1cnn(C)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)N(CC[NH+](C)C)C[*:1])c1cnn(C)c1
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[*:1]
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1cnn(C)c1 Clc1cccc(c1)C[*:1] C[C@H](NC(=O)N(CC[NH+](C)C)[*:1])c1cnn(C)c1
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)c1cnn(C)c1 C[C@H](c1cnn(C)c1)[*:1] C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 CC[C@H](C)[*:1] C[C@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC[C@H](C)NC(=O)[C@H](C)Sc1ccc(cc1)[*:1]
CCCc1c(Cl)ncnc1S[C@H](C)CCO C[C@H](CCO)[*:1] CCCc1c(Cl)ncnc1S[*:1]
CCCc1c(Cl)ncnc1S[C@H](C)CCO OCC[*:1] CCCc1c(Cl)ncnc1S[C@H](C)[*:1]
CCCc1c(Cl)ncnc1S[C@H](C)CCO CCC[*:1] C[C@H](CCO)Sc1ncnc(Cl)c1[*:1]
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N[C@H](C)c1cccc(OC(F)F)c1 CC1CCN(CC1)C(=O)[*:1] Cc1cc(ccc1NC(=O)N[C@H](C)c1cccc(c1)OC(F)F)[*:1]
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N[C@H](C)c1cccc(OC(F)F)c1 FC(F)O[*:1] Cc1cc(ccc1NC(=O)N[C@H](C)c1cccc(c1)[*:1])C(=O)N1CCC(C)CC1
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N[C@H](C)c1cccc(OC(F)F)c1 FC(F)Oc1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)N[C@H](C)[*:1])C(=O)N1CCC(C)CC1
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N[C@H](C)c1cccc(OC(F)F)c1 FC(F)[*:1] Cc1cc(ccc1NC(=O)N[C@H](C)c1cccc(c1)O[*:1])C(=O)N1CCC(C)CC1
CCOC(=O)c1cccc(NC(=O)N2C[C@H](O)C[C@H]2C2CCCCC2)c1 C1CCC(CC1)[*:1] CCOC(=O)c1cccc(c1)NC(=O)N1C[C@H](O)C[C@@H]1[*:1]
CCOC(=O)c1cccc(NC(=O)N2C[C@H](O)C[C@H]2C2CCCCC2)c1 CCOC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1C[C@H](O)C[C@H]1C1CCCCC1
CC(C)c1nsc(NCc2ccc(-n3ccnc3)nc2)n1 c1cn(cn1)[*:1] CC(C)c1nsc(n1)NCc1ccc(nc1)[*:1]
CC(C)c1nsc(NCc2ccc(-n3ccnc3)nc2)n1 CC(C)[*:1] c1cn(cn1)-c1ccc(cn1)CNc1nc(ns1)[*:1]
C[C@@H](NC(=O)c1ccco1)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@@H](NC(=O)c1ccco1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1ccco1)c1ccc(-c2cncnc2)cc1 c1coc(c1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-c1cncnc1
C=CCN1C(=O)N=C(N)[C@]12CCC[C@H](C(F)(F)F)C2 C=CC[*:1] NC1=NC(=O)N([C@@]12CCC[C@@H](C2)C(F)(F)F)[*:1]
C=CCN1C(=O)N=C(N)[C@]12CCC[C@H](C(F)(F)F)C2 FC(F)(F)[*:1] C=CCN1C(=O)N=C(N)[C@]12CCC[C@H](C2)[*:1]
Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)oc2c1 Clc1ccc(cc1)C[*:1] Cc1cc(C)c2c(=O)cc(oc2c1)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)oc2c1 Clc1ccc(cc1)[*:1] Cc1cc(C)c2c(=O)cc(oc2c1)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(NC(=O)C[S@@](=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)C[S@@](=O)C[*:1]
Cc1noc(C)c1CCCNC(=O)c1ccc(Cl)cc1Cl Cc1noc(C)c1[*:1] O=C(NCCC[*:1])c1ccc(Cl)cc1Cl
C=CCc1cc(C(=O)N2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)ccc1OC c1csc(c1)[*:1] C=CCc1cc(ccc1OC)C(=O)N1CCC[C@@H](C1)Cn1nnc(n1)[*:1]
C=CCc1cc(C(=O)N2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)ccc1OC C=CC[*:1] COc1ccc(cc1[*:1])C(=O)N1CCC[C@@H](C1)Cn1nnc(n1)-c1cccs1
C=CCc1cc(C(=O)N2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)ccc1OC c1csc(c1)-c1nnn(n1)[*:1] C=CCc1cc(ccc1OC)C(=O)N1CCC[C@@H](C1)C[*:1]
COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 c1csc(c1)[*:1] COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(=NN12)[*:1]
COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 COc1ccccc1[*:1] c1csc(c1)C1C[C@@H]2c3ccccc3O[C@H](N2N=1)[*:1]
O=C(CNC(=O)OCc1ccccc1)Oc1ccc2c3c(c(=O)oc2c1)CCCC3 c1ccc(cc1)[*:1] O=C(CNC(=O)OC[*:1])Oc1ccc2c3CCCCc3c(=O)oc2c1
O=C(CNC(=O)OCc1ccccc1)Oc1ccc2c3c(c(=O)oc2c1)CCCC3 c1ccc(cc1)C[*:1] O=C(CNC(=O)O[*:1])Oc1ccc2c3CCCCc3c(=O)oc2c1
CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)Cc1nc2ccccc2s1)c1ccccc1[*:1]
CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(cc1)C[*:1]
CN1CCO[C@@H](C(=O)N(CC2CCCCC2)C2CC2)C1 C1CCC(CC1)[*:1] CN1CCO[C@H](C1)C(=O)N(C[*:1])C1CC1
CN1CCO[C@@H](C(=O)N(CC2CCCCC2)C2CC2)C1 C1CC1[*:1] CN1CCO[C@H](C1)C(=O)N(CC1CCCCC1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C=C(C)C)c1 CCN(CC)S(=O)(=O)[*:1] CC(C)=CC(=O)Nc1cc(ccc1N1CCCC1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C=C(C)C)c1 CC(C)=C[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)[*:1])N1CCCC1
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C=C(C)C)c1 CC(C)=CC(=O)N[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)[*:1])N1CCCC1
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C=C(C)C)c1 C1CCN(C1)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)C=C(C)C)[*:1]
CCc1cccc(N[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1 CC(=O)[*:1] CCc1cccc(c1)N[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CCC[NH+]1CCCN(Cc2sccc2OC)CC1 CCC[*:1] COc1ccsc1CN1CCC[NH+](CC1)[*:1]
O=C(NCc1cnn(-c2ccccc2)c1)N1CCN(c2ccc(Cl)cn2)CC1 c1ccc(cc1)[*:1] O=C(NCc1cnn(c1)[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=C(NCc1cnn(-c2ccccc2)c1)N1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] O=C(NCc1cnn(c1)-c1ccccc1)N1CCN(CC1)[*:1]
COc1ccc(-c2cc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)ccc2OC(F)F)cc1 COc1ccc(cc1)[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1ccc(OC(F)F)c(c1)[*:1]
COc1ccc(-c2cc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)ccc2OC(F)F)cc1 FC(F)[*:1] COc1ccc(cc1)-c1cc(ccc1O[*:1])NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12
COc1ccc(-c2cc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)ccc2OC(F)F)cc1 FC(F)O[*:1] COc1ccc(cc1)-c1cc(ccc1[*:1])NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12
Cc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 Cc1cc(F)ccc1[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)C1CCC1)S(=O)(=O)N[*:1]
Cc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 C1CC(C1)[*:1] Cc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)[*:1]
C/C(=N\Nc1nnc(SCC(=O)Nc2ccccc2C)n1N)c1ccccc1 c1ccc(cc1)[*:1] CC(=NNc1nnc(SCC(=O)Nc2ccccc2C)n1N)[*:1]
C/C(=N\Nc1nnc(SCC(=O)Nc2ccccc2C)n1N)c1ccccc1 Cc1ccccc1[*:1] C/C(=N\Nc1nnc(SCC(=O)N[*:1])n1N)c1ccccc1
COc1ccc(CN(C)C(=O)c2cc3sccc3n2Cc2ccccc2)cc1 COc1ccc(cc1)C[*:1] CN(C(=O)c1cc2sccc2n1Cc1ccccc1)[*:1]
COc1ccc(CN(C)C(=O)c2cc3sccc3n2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CN(C)C(=O)c1cc2sccc2n1C[*:1]
COc1ccc(CN(C)C(=O)c2cc3sccc3n2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)CN(C)C(=O)c1cc2sccc2n1[*:1]
COc1ccc(CN(C)C(=O)c2cc3sccc3n2Cc2ccccc2)cc1 COc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cc2sccc2n1Cc1ccccc1
Cc1cnc(N2CCC[C@@H](c3ccccc3)C2)nc1-c1ccnn1C c1ccc(cc1)[*:1] Cc1cnc(nc1-c1ccnn1C)N1CCC[C@@H](C1)[*:1]
Cc1cnc(N2CCC[C@@H](c3ccccc3)C2)nc1-c1ccnn1C Cn1nccc1[*:1] Cc1cnc(nc1[*:1])N1CCC[C@H](C1)c1ccccc1
N#Cc1cccc(/C=C/C(=O)NCc2nccc3ccccc23)c1 N#Cc1cccc(c1)[*:1] O=C(C=C[*:1])NCc1nccc2ccccc12
Cc1cccc(NCC(=O)N/N=C/c2cccc(O)c2)c1 Cc1cccc(c1)[*:1] O=C(CN[*:1])N/N=C/c1cccc(O)c1
Cc1cccc(NCC(=O)N/N=C/c2cccc(O)c2)c1 Oc1cccc(c1)[*:1] Cc1cccc(c1)NCC(=O)NN=C[*:1]
Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc2C(=O)NC(=O)c2c1
Cc1ccc([C@@H](NC(=O)[C@@H]2CCO[C@@H]2C)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](NC(=O)[C@@H]1CCO[C@@H]1C)[*:1]
COCCCNC(=O)c1nc(S(C)(=O)=O)ncc1Cl COCC[*:1] CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)NC[*:1]
COCCCNC(=O)c1nc(S(C)(=O)=O)ncc1Cl COC[*:1] CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)NCC[*:1]
COCCCNC(=O)c1nc(S(C)(=O)=O)ncc1Cl COCCC[*:1] CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)N[*:1]
COCCCNC(=O)c1nc(S(C)(=O)=O)ncc1Cl CS(=O)(=O)[*:1] COCCCNC(=O)c1nc(ncc1Cl)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](Cc1ccccc1)NC(=O)C=C[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)/C=C/c1ccccc1)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)/C=C/c1ccccc1
CN(C)S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1 CN(C)S(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCC1
CN(C)S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1 C1CC(C1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@@H](C)n1nc(C)c(CC[NH2+]C(C)C)c1C CC(C)[*:1] CC[C@@H](C)n1nc(C)c(CC[NH2+][*:1])c1C
CC[C@@H](C)n1nc(C)c(CC[NH2+]C(C)C)c1C CC[C@@H](C)[*:1] Cc1nn(c(C)c1CC[NH2+]C(C)C)[*:1]
COc1ccc(CCn2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 COc1ccc(cc1)CC[*:1] Cn1c(=O)c2c(nc3n(c(cn23)-c2ccccc2)[*:1])n(C)c1=O
COc1ccc(CCn2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc3n(CC[*:1])c(cn23)-c2ccccc2)n(C)c1=O
COc1ccc(CCn2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CCn1c(cn2c3c(=O)n(C)c(=O)n(C)c3nc12)[*:1]
COc1ccc(CCn2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 COc1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc3n(C[*:1])c(cn23)-c2ccccc2)n(C)c1=O
COc1cccc([C@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)c1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1c2c(C)nn(c2N=C2C(O)=Nc3ccccc3N21)[*:1]
COc1cccc([C@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)c1 O=[N+]([O-])[*:1] COc1cccc(c1)[C@H]1c2c(C)nn(-c3ccc(cc3)[*:1])c2N=C2C(O)=Nc3ccccc3N21
COc1cccc([C@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)c1 COc1cccc(c1)[*:1] Cc1nn(-c2ccc(cc2)[N+](=O)[O-])c2N=C3C(O)=Nc4ccccc4N3[C@H](c12)[*:1]
CC(=O)N[C@@H](CC(=O)Nn1cnc2ccccc2c1=O)c1ccccc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccccc1)[*:1])Nn1cnc2ccccc2c1=O
CC(=O)N[C@@H](CC(=O)Nn1cnc2ccccc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nn1cnc2ccccc2c1=O)[*:1]
CC(C)[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)C1CC1 C[C@H](O)[*:1] CC(C)[C@@H]([NH2+]CC(C)(C)C[*:1])C1CC1
CC(C)[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)C1CC1 C1CC1[*:1] CC(C)[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)[*:1]
CC(C)[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)C1CC1 CC(C)[*:1] C[C@H](O)CC(C)(C)C[NH2+][C@@H](C1CC1)[*:1]
CC(C)[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)C1CC1 C[C@H](O)C[*:1] CC(C)[C@@H]([NH2+]CC(C)(C)[*:1])C1CC1
O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[*:1]
COCC[NH2+]Cc1cnoc1-c1cc(F)cc(F)c1 COCC[*:1] Fc1cc(F)cc(c1)-c1oncc1C[NH2+][*:1]
COCC[NH2+]Cc1cnoc1-c1cc(F)cc(F)c1 COC[*:1] Fc1cc(F)cc(c1)-c1oncc1C[NH2+]C[*:1]
CC(C)(C)c1ccc(CS(=O)(=O)Cc2cc(=O)n3cc(Br)ccc3n2)cc1 CC(C)(C)[*:1] O=c1cc(CS(=O)(=O)Cc2ccc(cc2)[*:1])nc2ccc(Br)cn12
Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1-c1cc2ccccc2oc1=O O=[N+]([O-])c1ccccc1[*:1] Cc1cc(ccc1-c1cc2ccccc2oc1=O)NC(=O)[*:1]
Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1-c1cc2ccccc2oc1=O O=[N+]([O-])[*:1] Cc1cc(ccc1-c1cc2ccccc2oc1=O)NC(=O)c1ccccc1[*:1]
Cc1occc1C(=O)N1CCC[C@@H]1C(N)=O NC(=O)[*:1] Cc1occc1C(=O)N1CCC[C@H]1[*:1]
CC[C@@H](NC(=O)[C@H](C)C[NH2+]C)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](NC(=O)[C@H](C)C[NH2+]C)[*:1]
CSC1=N/C(=N\c2ccccc2)C2(CCCCC2)N1C(C)C c1ccc(cc1)[*:1] CSC1=NC(=N[*:1])C2(CCCCC2)N1C(C)C
CSC1=N/C(=N\c2ccccc2)C2(CCCCC2)N1C(C)C CC(C)[*:1] CSC1=N/C(=N\c2ccccc2)C2(CCCCC2)N1[*:1]
O=C(NCc1ccncc1)c1c[nH]c2cccc(F)c12 c1cc(ccn1)[*:1] O=C(NC[*:1])c1c[nH]c2cccc(F)c12
COc1cc(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)ccc1OCc1ccccc1Cl Clc1ccccc1CO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1cccc(c1)N1C(=O)CNC1=O
COc1cc(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)ccc1OCc1ccccc1Cl O=C1CNC(=O)N1[*:1] COc1cc(ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(c1)[*:1]
COc1cc(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)ccc1OCc1ccccc1Cl Clc1ccccc1[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1cccc(c1)N1C(=O)CNC1=O
COc1cc(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)ccc1OCc1ccccc1Cl Clc1ccccc1C[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1cccc(c1)N1C(=O)CNC1=O
Cc1nc2cccnc2n1-c1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 Clc1cccc(c1)[*:1] Cc1nc2cccnc2n1-c1cccc(c1)C(=O)N1CCN(CC1)[*:1]
Cc1nc2cccnc2n1-c1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 Cc1nc2cccnc2n1[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)c1cccc(Cl)c1
CC(C)Cn1cc(NC(=O)C(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)C[*:1])C(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32
CC(C)Cn1cc(NC(=O)C(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)cn1 CC(C)Cn1cc(cn1)[*:1] O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)C(=O)N[*:1]
CC(C)Cn1cc(NC(=O)C(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)cn1 CC(C)C[*:1] O=C(Nc1cnn(c1)[*:1])C(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(NS(C)(=O)=O)cc1 CS(=O)(=O)N[*:1] C[C@@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(cc1)[*:1]
COc1ccc(OC)c(NC(=O)[C@H](C)Nc2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@H](C)N[*:1]
C[NH+](CCn1cnnc1)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 c1nncn1[*:1] C[NH+](CC[*:1])Cc1ccc(o1)-c1ccc(Cl)cc1[N+](=O)[O-]
C[NH+](CCn1cnnc1)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 c1nncn1C[*:1] C[NH+](Cc1ccc(o1)-c1ccc(Cl)cc1[N+](=O)[O-])C[*:1]
C[NH+](CCn1cnnc1)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 O=[N+]([O-])[*:1] C[NH+](CCn1cnnc1)Cc1ccc(o1)-c1ccc(Cl)cc1[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1-c1ccccc1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1ccccc1-c1ccccc1
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1-c1ccccc1 CC(C)(C)C(=O)N[*:1] C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1[*:1]
CCc1ccccc1O[C@@H](CC)[C@H]([NH3+])c1ccccc1 c1ccc(cc1)[*:1] CCc1ccccc1O[C@@H](CC)[C@H]([NH3+])[*:1]
Nc1nc(SCC(=O)Nc2cccc3ccccc23)[nH]c(=O)c1NC(=O)c1cccs1 O=C(N[*:1])c1cccs1 Nc1nc([nH]c(=O)c1[*:1])SCC(=O)Nc1cccc2ccccc12
Nc1nc(SCC(=O)Nc2cccc3ccccc23)[nH]c(=O)c1NC(=O)c1cccs1 c1ccc2c(cccc2c1)[*:1] Nc1nc([nH]c(=O)c1NC(=O)c1cccs1)SCC(=O)N[*:1]
Nc1nc(SCC(=O)Nc2cccc3ccccc23)[nH]c(=O)c1NC(=O)c1cccs1 c1csc(c1)[*:1] Nc1nc([nH]c(=O)c1NC(=O)[*:1])SCC(=O)Nc1cccc2ccccc12
O=C(NC[C@H]1CCC[C@H](O)C1)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NC[C@H]1CCC[C@H](O)C1)c1ccnc(c1)O[*:1]
O=C(NC[C@H]1CCC[C@H](O)C1)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] O=C(NC[C@H]1CCC[C@H](O)C1)c1ccnc(c1)[*:1]
C#CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)nc1 C#CC[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1ccc(cn1)C(=O)N[*:1]
C#CCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)nc1 C#CCNC(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1ccc(cn1)[*:1]
CSc1cccc(NC(=O)C2CCCC2)c1 C1CCC(C1)[*:1] CSc1cccc(c1)NC(=O)[*:1]
CC[C@@H](C)C(=O)N(NC(=O)c1ccccc1)[C@H]1CC(=O)N(c2cccc(OC)c2)C1=O c1ccc(cc1)[*:1] CC[C@@H](C)C(=O)N(NC(=O)[*:1])[C@H]1CC(=O)N(C1=O)c1cccc(c1)OC
CC[C@@H](C)C(=O)N(NC(=O)c1ccccc1)[C@H]1CC(=O)N(c2cccc(OC)c2)C1=O COc1cccc(c1)[*:1] CC[C@@H](C)C(=O)N(NC(=O)c1ccccc1)[C@H]1CC(=O)N(C1=O)[*:1]
O=C(Nc1ccccc1-n1cnnn1)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(Nc1ccccc1-n1cnnn1)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccccc1-n1cnnn1)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1-n1cnnn1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1ccccc1-n1cnnn1)[C@H]1CC(=O)N(CC(F)(F)F)C1 c1nnnn1[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CC(=O)N(C1)CC(F)(F)F
Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c(C)n2C)n1 Fc1ccc(cc1)[*:1] Cc1csc(n1)-c1cc(c(C)n1C)S(=O)(=O)[N-][*:1]
Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c(C)n2C)n1 Cc1csc(n1)[*:1] Cc1c(cc(n1C)[*:1])S(=O)(=O)[N-]c1ccc(F)cc1
O=C(C1CCC1)N1CCCC[C@H]1[C@H]1CCCC[C@H]1O C1CC(C1)[*:1] O=C(N1CCCC[C@H]1[C@H]1CCCC[C@H]1O)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3cccnc3Cl)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1cccnc1Cl)[C@@H]1CCC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3cccnc3Cl)CCC2=O)cc1C Clc1ncccc1[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N[*:1]
CCNS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 CCNS(=O)(=O)[*:1] O=C(/C=C/c1ccccc1)Nc1nc2ccc(cc2s1)[*:1]
CCNS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 C(=C[*:1])c1ccccc1 CCNS(=O)(=O)c1ccc2nc(NC(=O)[*:1])sc2c1
CCNS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 c1ccc(cc1)[*:1] CCNS(=O)(=O)c1ccc2nc(NC(=O)C=C[*:1])sc2c1
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1ccnnc1 CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])[C@@H]1CCCCN1C(=O)c1ccnnc1
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1ccnnc1 CC(C)(C)OC(=O)N[*:1] C[C@@H]([C@@H]1CCCCN1C(=O)c1ccnnc1)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)c1ccnnc1 c1cc(cnn1)[*:1] C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)[*:1]
COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccccn3)cc2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccccn3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccn1)c1ccc(cc1)CNS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccccn3)cc2)cc1 O=C(Nc1ccccn1)[*:1] COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)[*:1]
Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2F)c(c1)[*:1]
COc1ccc(-c2cc(COC(=O)c3ccc4ccccc4n3)no2)cc1 COc1ccc(cc1)[*:1] O=C(OCc1cc(on1)[*:1])c1ccc2ccccc2n1
C[C@@H]1SCCC[C@@]1([NH3+])C(N)=O NC(=O)[*:1] C[C@@H]1SCCC[C@]1([NH3+])[*:1]
CCCCS(=O)(=O)NCc1nc(C(F)(F)F)cs1 CCCC[*:1] O=S(=O)(NCc1nc(cs1)C(F)(F)F)[*:1]
CCCCS(=O)(=O)NCc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CCCCS(=O)(=O)NCc1nc(cs1)[*:1]
CCCCS(=O)(=O)NCc1nc(C(F)(F)F)cs1 CCC[*:1] O=S(=O)(C[*:1])NCc1nc(cs1)C(F)(F)F
CC(=O)N1CCc2cc(S(=O)(=O)/N=C(\[O-])c3cc(F)cc(F)c3)ccc21 Fc1cc(F)cc(c1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)/N=C(\[O-])[*:1]
Cc1nc(COc2ccccc2C(=O)N[C@H]2CCOc3ccccc32)no1 Cc1nc(CO[*:1])no1 O=C(N[C@H]1CCOc2ccccc21)c1ccccc1[*:1]
Cc1nc(COc2ccccc2C(=O)N[C@H]2CCOc3ccccc32)no1 Cc1nc(C[*:1])no1 O=C(N[C@H]1CCOc2ccccc21)c1ccccc1O[*:1]
Cc1nc(COc2ccccc2C(=O)N[C@H]2CCOc3ccccc32)no1 Cc1nc(no1)[*:1] O=C(N[C@H]1CCOc2ccccc21)c1ccccc1OC[*:1]
CC(C)(CO)Nc1ncnc(N)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(CO)Nc1ncnc(N)c1[*:1]
CC(C)(CO)Nc1ncnc(N)c1[N+](=O)[O-] CC(C)(CO)[*:1] Nc1ncnc(N[*:1])c1[N+](=O)[O-]
Nc1c(N2CCCC2)c2ccccc2oc1=O C1CCN(C1)[*:1] Nc1c(c2ccccc2oc1=O)[*:1]
O=C(OCc1ccc(Cl)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 Clc1ccc(cc1)[*:1] O=C(OC[*:1])C1C=CC2=NS(=O)(=O)CCN2C=1
CCOC(=O)c1c([O-])n(C)c2ccccc2c1=O CCOC(=O)[*:1] Cn1c([O-])c(c(=O)c2ccccc21)[*:1]
CC(=O)NCCCc1nc(-c2ccc(F)c(F)c2)no1 CC(=O)NC[*:1] Fc1ccc(cc1F)-c1noc(CC[*:1])n1
CC(=O)NCCCc1nc(-c2ccc(F)c(F)c2)no1 CC(=O)N[*:1] Fc1ccc(cc1F)-c1noc(CCC[*:1])n1
CC(=O)NCCCc1nc(-c2ccc(F)c(F)c2)no1 CC(=O)NCC[*:1] Fc1ccc(cc1F)-c1noc(C[*:1])n1
N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCc3c(O)cccc32)cc1 N#Cc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])N[C@H]1CCc2c(O)cccc21
COc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 Cc1ccc(cc1)[*:1] COc1ccccc1C(=O)NC[C@@H](N1CCOCC1)[*:1]
COc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 C1CN(CCO1)[*:1] COc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)[*:1]
COc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 COc1ccccc1[*:1] Cc1ccc(cc1)[C@H](CNC(=O)[*:1])N1CCOCC1
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)[*:1])C12CC3CC(CC(C3)C1)C2
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 CC(=O)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1])C12CC3CC(CC(C3)C1)C2
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 CC[C@@H](C)[*:1] O=C1CSc2ccc(cc2N1)S(=O)(=O)N[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 CNC(=O)[*:1] Cc1cc2OCCC[C@H]([NH2+][C@H]3CCCC[C@@H]3[*:1])c2cc1C
[NH3+]CCCOC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 [NH3+]CCCO[*:1] O=S1(=O)CCC(CC1)[NH+]1CCC(CC1)[*:1]
[NH3+]CCCOC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 [NH3+]CC[*:1] O=S1(=O)CCC(CC1)[NH+]1CCC(CC1)OC[*:1]
[NH3+]CCCOC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 [NH3+]CCC[*:1] O=S1(=O)CCC(CC1)[NH+]1CCC(CC1)O[*:1]
Cc1nc(C)c([C@H](C)N2CCC(OCCC[NH3+])CC2)s1 [NH3+]CC[*:1] Cc1nc(C)c(s1)[C@H](C)N1CCC(CC1)OC[*:1]
Cc1nc(C)c([C@H](C)N2CCC(OCCC[NH3+])CC2)s1 [NH3+]CCC[*:1] Cc1nc(C)c(s1)[C@H](C)N1CCC(CC1)O[*:1]
Cc1nc(C)c([C@H](C)N2CCC(OCCC[NH3+])CC2)s1 [NH3+]CCCO[*:1] Cc1nc(C)c(s1)[C@H](C)N1CCC(CC1)[*:1]
CCCCC(=O)NC(=S)Nc1cccc(Cl)c1C CCCC[*:1] Cc1c(Cl)cccc1NC(=S)NC(=O)[*:1]
CCCCC(=O)NC(=S)Nc1cccc(Cl)c1C CCC[*:1] Cc1c(Cl)cccc1NC(=S)NC(=O)C[*:1]
CCc1sc(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)cc1C CCc1sc(cc1C)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
COC(=O)CN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(C)C CC(C)[*:1] COC(=O)CN(C(=O)c1ccc(cc1)C(=O)Nc1ccccc1)[*:1]
COC(=O)CN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(C)C c1ccc(cc1)[*:1] COC(=O)CN(C(=O)c1ccc(cc1)C(=O)N[*:1])C(C)C
COC(=O)CN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(C)C COC(=O)[*:1] CC(C)N(C[*:1])C(=O)c1ccc(cc1)C(=O)Nc1ccccc1
COC(=O)CN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(C)C COC(=O)C[*:1] CC(C)N(C(=O)c1ccc(cc1)C(=O)Nc1ccccc1)[*:1]
O=C(COC1CCCCC1)NC1(c2ccc(F)cc2F)CCOCC1 C1CCC(CC1)O[*:1] O=C(C[*:1])NC1(CCOCC1)c1ccc(F)cc1F
O=C(COC1CCCCC1)NC1(c2ccc(F)cc2F)CCOCC1 C1CCC(CC1)[*:1] O=C(CO[*:1])NC1(CCOCC1)c1ccc(F)cc1F
O=C(COC1CCCCC1)NC1(c2ccc(F)cc2F)CCOCC1 C1CCC(CC1)OC[*:1] O=C(NC1(CCOCC1)c1ccc(F)cc1F)[*:1]
O=C(COC1CCCCC1)NC1(c2ccc(F)cc2F)CCOCC1 Fc1ccc(c(F)c1)[*:1] O=C(COC1CCCCC1)NC1(CCOCC1)[*:1]
CC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)ccc1O Clc1ccccc1[*:1] CC(=O)Nc1cc(ccc1O)C(=O)CSc1nnc(n1C1CCCC1)[*:1]
CC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)ccc1O CC(=O)N[*:1] O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccc(O)c(c1)[*:1]
CC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)ccc1O C1CCC(C1)[*:1] CC(=O)Nc1cc(ccc1O)C(=O)CSc1nnc(-c2ccccc2Cl)n1[*:1]
COC(=O)[C@@H](C)Oc1ccc(CN2CCO[C@H](c3cnn(C)c3)C2)cc1 COC(=O)[C@@H](C)O[*:1] Cn1cc(cn1)[C@@H]1CN(CCO1)Cc1ccc(cc1)[*:1]
COC(=O)[C@@H](C)Oc1ccc(CN2CCO[C@H](c3cnn(C)c3)C2)cc1 Cn1cc(cn1)[*:1] COC(=O)[C@@H](C)Oc1ccc(cc1)CN1CCO[C@H](C1)[*:1]
COC(=O)[C@@H](C)Oc1ccc(CN2CCO[C@H](c3cnn(C)c3)C2)cc1 COC(=O)[*:1] C[C@@H](Oc1ccc(cc1)CN1CCO[C@@H](C1)c1cnn(C)c1)[*:1]
COC(=O)[C@@H](C)Oc1ccc(CN2CCO[C@H](c3cnn(C)c3)C2)cc1 COC(=O)[C@@H](C)[*:1] Cn1cc(cn1)[C@@H]1CN(CCO1)Cc1ccc(cc1)O[*:1]
Cc1ccccc1[C@@H]1CN(Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)CO1 C[C@@H](C#N)O[*:1] Cc1ccccc1[C@@H]1CN(Cc2ccc(cc2)[*:1])[C@H](C)CO1
Cc1ccccc1[C@@H]1CN(Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)CO1 Cc1ccccc1[*:1] C[C@@H](C#N)Oc1ccc(cc1)CN1C[C@H](OC[C@H]1C)[*:1]
Cc1ccccc1[C@@H]1CN(Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)CO1 C[C@@H](C#N)[*:1] Cc1ccccc1[C@@H]1CN(Cc2ccc(cc2)O[*:1])[C@H](C)CO1
COc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)cc1 N#CC[*:1] COc1ccc(cc1)C(=O)N/N=C/c1ccccc1O[*:1]
COc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)cc1 N#CCO[*:1] COc1ccc(cc1)C(=O)N/N=C/c1ccccc1[*:1]
CCOC(=O)c1ccc(N2C(=N)S/C(=C\c3ccccc3C)C2=O)cc1 Cc1ccccc1[*:1] CCOC(=O)c1ccc(cc1)N1C(=N)SC(=C[*:1])C1=O
CCOC(=O)c1ccc(N2C(=N)S/C(=C\c3ccccc3C)C2=O)cc1 CCOC(=O)[*:1] Cc1ccccc1/C=C1\SC(=N)N(C1=O)c1ccc(cc1)[*:1]
CN(CCCOc1ccc(F)cc1)S(=O)(=O)c1cnn(C)c1 Fc1ccc(cc1)[*:1] CN(CCCO[*:1])S(=O)(=O)c1cnn(C)c1
CN(CCCOc1ccc(F)cc1)S(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] CN(CCCOc1ccc(F)cc1)S(=O)(=O)[*:1]
Cn1ccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1F O=S(=O)(N1CCCC1)[*:1] Cn1ccnc1[C@H](NC(=O)c1cccc(c1)[*:1])c1ccccc1F
Cn1ccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1F Fc1ccccc1[*:1] Cn1ccnc1[C@H](NC(=O)c1cccc(c1)S(=O)(=O)N1CCCC1)[*:1]
Cn1ccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1F Cn1ccnc1[*:1] O=C(N[C@H](c1ccccc1F)[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
O=C(NCc1c(F)cccc1OC(F)F)c1csc([N+](=O)[O-])c1 FC(F)O[*:1] O=C(NCc1c(F)cccc1[*:1])c1csc(c1)[N+](=O)[O-]
O=C(NCc1c(F)cccc1OC(F)F)c1csc([N+](=O)[O-])c1 FC(F)[*:1] O=C(NCc1c(F)cccc1O[*:1])c1csc(c1)[N+](=O)[O-]
O=C(NCc1c(F)cccc1OC(F)F)c1csc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCc1c(F)cccc1OC(F)F)c1csc(c1)[*:1]
Cc1ccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Cn1cnc2cc(Cl)ccc2c1=O)N[*:1]
Cc1ccc(-c2noc(CS(=O)(=O)c3ccc(O)cc3)n2)cc1F Oc1ccc(cc1)[*:1] Cc1ccc(cc1F)-c1noc(CS(=O)(=O)[*:1])n1
Cc1ccc(-c2noc(CS(=O)(=O)c3ccc(O)cc3)n2)cc1F Cc1ccc(cc1F)[*:1] O=S(=O)(Cc1nc(no1)[*:1])c1ccc(O)cc1
C[C@@H](CNC(=O)c1nccnc1N)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1nccnc1N)O[*:1]
C[C@@H](CNC(=O)c1nccnc1N)Oc1ccc(Cl)cc1 Nc1nccnc1[*:1] C[C@@H](CNC(=O)[*:1])Oc1ccc(Cl)cc1
COc1ccccc1N1CCN(C(=O)c2cc(C#N)c([O-])nc2C)[C@H](C)C1 COc1ccccc1[*:1] Cc1nc([O-])c(C#N)cc1C(=O)N1CCN(C[C@H]1C)[*:1]
O=C(Nc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1)c1ccco1 c1c(sc2CCCCc12)[*:1] O=C(Nc1ccc(cc1)CNC(=O)[*:1])c1ccco1
O=C(Nc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(NCc1ccc(cc1)[*:1])c1cc2CCCCc2s1
O=C(Nc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1)c1ccco1 c1coc(c1)[*:1] O=C(NCc1ccc(cc1)NC(=O)[*:1])c1cc2CCCCc2s1
O=S(=O)(CCCOCC(F)(F)F)c1ccc(Cl)c(Cl)c1 FC(F)(F)CO[*:1] O=S(=O)(CCC[*:1])c1ccc(Cl)c(Cl)c1
O=S(=O)(CCCOCC(F)(F)F)c1ccc(Cl)c(Cl)c1 FC(F)(F)[*:1] O=S(=O)(CCCOC[*:1])c1ccc(Cl)c(Cl)c1
O=S(=O)(CCCOCC(F)(F)F)c1ccc(Cl)c(Cl)c1 FC(F)(F)C[*:1] O=S(=O)(CCCO[*:1])c1ccc(Cl)c(Cl)c1
CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 c1ccc(cc1)C[*:1] CN(CC(=O)NC[*:1])S(=O)(=O)c1ccc(C#N)cc1
CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 c1ccc(cc1)CC[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc(C#N)cc1
CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 c1ccc(cc1)[*:1] CN(CC(=O)NCC[*:1])S(=O)(=O)c1ccc(C#N)cc1
CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CN(CC(=O)NCCc1ccccc1)S(=O)(=O)[*:1]
O=C(NCc1nccc2ccccc12)c1cnn(-c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] O=C(NCc1nccc2ccccc12)c1cnn(c1)[*:1]
Cc1cccc(C)c1OCc1nnc(SCc2cccc([N+](=O)[O-])c2)n1N O=[N+]([O-])c1cccc(c1)[*:1] Cc1cccc(C)c1OCc1nnc(SC[*:1])n1N
Cc1cccc(C)c1OCc1nnc(SCc2cccc([N+](=O)[O-])c2)n1N Cc1cccc(C)c1[*:1] Nn1c(CO[*:1])nnc1SCc1cccc(c1)[N+](=O)[O-]
Cc1cccc(C)c1OCc1nnc(SCc2cccc([N+](=O)[O-])c2)n1N O=[N+]([O-])[*:1] Cc1cccc(C)c1OCc1nnc(SCc2cccc(c2)[*:1])n1N
Cc1cccc(C)c1OCc1nnc(SCc2cccc([N+](=O)[O-])c2)n1N Cc1cccc(C)c1O[*:1] Nn1c(C[*:1])nnc1SCc1cccc(c1)[N+](=O)[O-]
CC(=O)N[C@H](C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)[*:1]
CC(=O)N[C@H](C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)C(C)C CC(=O)N[*:1] CC(C)[C@@H](C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)[*:1]
CC(=O)N[C@H](C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)C(C)C CC(=O)N[C@H](C(C)C)[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[*:1]
O=C(CSc1nncs1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F c1nnc(SC[*:1])s1 O=C(N1C[C@H](O)C[C@H]1c1cc(F)ccc1F)[*:1]
O=C(CSc1nncs1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F c1nnc(s1)[*:1] O=C(CS[*:1])N1C[C@H](O)C[C@H]1c1cc(F)ccc1F
O=C(CSc1nncs1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F c1nnc(S[*:1])s1 O=C(C[*:1])N1C[C@H](O)C[C@H]1c1cc(F)ccc1F
Cc1sc2[nH]c(/C(Cl)=C/c3cc([N+](=O)[O-])ccc3Cl)nc(=O)c2c1C O=[N+]([O-])[*:1] Cc1sc2[nH]c(nc(=O)c2c1C)/C(Cl)=C/c1cc(ccc1Cl)[*:1]
COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 Clc1ccc(cc1)[*:1] COc1ccc(Cl)cc1C(=O)[C@@H](C#N)c1nc(cs1)[*:1]
CCC[C@H]1C[C@@H]1NC(=O)CCc1ccc(Cl)cc1 CCC[*:1] O=C(CCc1ccc(Cl)cc1)N[C@H]1C[C@@H]1[*:1]
CCC[C@H]([NH2+][C@H]1CCN(C(C)=O)C1)c1ccc(Cl)cc1Cl CCC[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@H](c1ccc(Cl)cc1Cl)[*:1]
COC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] COC(=O)c1ccc(cc1)C(=O)N(C)[C@H](C)[*:1]
COC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1 COC(=O)[*:1] C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(cc1)[*:1]
CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CCO)C2)[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](CCO)C1)[*:1]
CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CCO)C2)[NH+](C)C)cc1 OCC[*:1] CCc1ccc(cc1)[C@@H](CNC(=O)N1CCC[C@@H](C1)[*:1])[NH+](C)C
Cc1sc2nc(NCCO)[nH]c(=O)c2c1C OCC[*:1] Cc1sc2nc(N[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(NCCO)[nH]c(=O)c2c1C OCCN[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[*:1]
Cc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(C)c(F)c2)c1 NC(=O)[*:1] Cc1ccc(c(c1)OCC(=O)Nc1ccc(C)c(F)c1)[*:1]
COC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 Clc1ccccc1[*:1] COC(=O)CNC(=O)c1cccc(c1)NC(=O)[C@H]1C[C@H]1[*:1]
COC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 COC(=O)CNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1C[C@@H]1c1ccccc1Cl
COC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 COC(=O)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl
COC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 COC(=O)C[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl
CC(C)(C)OC(=O)N1CC[C@@](C)(c2nc(-c3cnccn3)no2)C1 c1cnc(cn1)[*:1] CC(C)(C)OC(=O)N1CC[C@](C)(C1)c1nc(no1)[*:1]
CC(C)(C)OC(=O)N1CC[C@@](C)(c2nc(-c3cnccn3)no2)C1 CC(C)(C)[*:1] C[C@]1(CCN(C1)C(=O)O[*:1])c1nc(no1)-c1cnccn1
CC(C)(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 CC(C)(C)C[*:1] O=C(N[C@@H](CO)[*:1])[C@@H]1CCCN1C(=O)Cc1ccccc1
CC(C)(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[*:1]
CC(C)(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)C[*:1]
CC(C)(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 CC(C)(C)[*:1] O=C(N[C@@H](CO)C[*:1])[C@@H]1CCCN1C(=O)Cc1ccccc1
CC[C@H](C)NC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 CC[C@H](C)[*:1] COC(=O)C[C@H](NC(=O)N[*:1])c1cccc(Br)c1
CC[C@H](C)NC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 COC(=O)C[*:1] CC[C@H](C)NC(=O)N[C@@H](c1cccc(Br)c1)[*:1]
CC[C@H](C)NC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 COC(=O)[*:1] CC[C@H](C)NC(=O)N[C@@H](C[*:1])c1cccc(Br)c1
CC[C@H](C)NC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CC[C@H](C)NC(=O)N[C@@H](CC(=O)OC)[*:1]
Cc1nc(C2CCN(C(=O)[C@@]34CC[C@@H](C[C@@H]3Br)C4)CC2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(N1CCC(CC1)[*:1])[C@@]12CC[C@@H](C[C@@H]1Br)C2
COCC(=O)C1CCN(C(=O)c2ccc(Cn3c(C)cs/c3=N/C(=O)c3ccccc3F)o2)CC1 COC[*:1] Cc1cs/c(=N/C(=O)c2ccccc2F)n1Cc1ccc(o1)C(=O)N1CCC(CC1)C(=O)[*:1]
COCC(=O)C1CCN(C(=O)c2ccc(Cn3c(C)cs/c3=N/C(=O)c3ccccc3F)o2)CC1 Fc1ccccc1[*:1] COCC(=O)C1CCN(CC1)C(=O)c1ccc(Cn2c(C)cs/c2=N/C(=O)[*:1])o1
COCC(=O)C1CCN(C(=O)c2ccc(Cn3c(C)cs/c3=N/C(=O)c3ccccc3F)o2)CC1 COCC(=O)[*:1] Cc1cs/c(=N/C(=O)c2ccccc2F)n1Cc1ccc(o1)C(=O)N1CCC(CC1)[*:1]
O=C1Nc2ccccc2N(O)N1c1ccc(CCO)cc1 OCC[*:1] O=C1Nc2ccccc2N(O)N1c1ccc(cc1)[*:1]
c1cc(CN(C2=[NH+]CCCS2)C2CC2)ccn1 C1CC1[*:1] c1cc(ccn1)CN(C1=[NH+]CCCS1)[*:1]
CCCNC(=O)NC(=O)CSc1nncn1-c1cccc(Cl)c1 CCC[*:1] O=C(CSc1nncn1-c1cccc(Cl)c1)NC(=O)N[*:1]
CCCNC(=O)NC(=O)CSc1nncn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCCNC(=O)NC(=O)CSc1nncn1[*:1]
Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CNC(=O)N2)cc1F Cc1nccn1[*:1] O=C1NC[C@H](N1)C(=O)NCc1ccc(c(F)c1)[*:1]
COCCNC(=O)Cn1cccc1[C@@H](C)[NH3+] COCC[*:1] C[C@@H]([NH3+])c1cccn1CC(=O)N[*:1]
COCCNC(=O)Cn1cccc1[C@@H](C)[NH3+] COC[*:1] C[C@@H]([NH3+])c1cccn1CC(=O)NC[*:1]
C[C@@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1ccccc1 FC(F)(F)[*:1] C[C@@H](NC(=O)/C=C/c1cccc(c1)[*:1])c1ccccc1
C[C@@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)/C=C/c1cccc(c1)C(F)(F)F)[*:1]
O=C(NCC1(c2ccccc2)CC1)C(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)[*:1] O=C(NCC1(CC1)c1ccccc1)C(=O)Nc1ccc(O[*:1])c(F)c1
O=C(NCC1(c2ccccc2)CC1)C(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)O[*:1] O=C(NCC1(CC1)c1ccccc1)C(=O)Nc1ccc(c(F)c1)[*:1]
O=C(NCC1(c2ccccc2)CC1)C(=O)Nc1ccc(OC(F)F)c(F)c1 c1ccc(cc1)[*:1] O=C(NCC1(CC1)[*:1])C(=O)Nc1ccc(OC(F)F)c(F)c1
O=C(NCC1(c2ccccc2)CC1)C(=O)Nc1ccc(OC(F)F)c(F)c1 c1ccc(cc1)C1(CC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(OC(F)F)c(F)c1
Cc1csc(=O)n1CCC(=O)NNC(=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1csc(=O)n1CCC(=O)NNC(=O)[*:1]
O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1 FC(F)(F)[*:1] O=S(=O)(Nc1cc(ccc1-n1cncn1)[*:1])c1ccc(F)cc1
O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(Nc1cc(ccc1-n1cncn1)C(F)(F)F)[*:1]
O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1 c1ncn(n1)[*:1] O=S(=O)(Nc1cc(ccc1[*:1])C(F)(F)F)c1ccc(F)cc1
CC(C)CNC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 CC(C)[*:1] C[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 c1ccc(cc1)[*:1] CC(C)CNC(=O)N1CC[C@@H]([C@H](C)C1)[*:1]
CC(C)CNC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 CC(C)C[*:1] C[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)N[*:1]
Cc1n[nH]c(SCC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)n1 Cc1n[nH]c(n1)S[*:1] C[NH+](Cc1ccccc1NC(=O)C[*:1])C1CCCCC1
Cc1n[nH]c(SCC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)n1 C1CCC(CC1)[*:1] Cc1n[nH]c(n1)SCC(=O)Nc1ccccc1C[NH+](C)[*:1]
Cc1n[nH]c(SCC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)n1 Cc1n[nH]c(n1)SC[*:1] C[NH+](Cc1ccccc1NC(=O)[*:1])C1CCCCC1
Cc1n[nH]c(SCC(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)n1 Cc1n[nH]c(n1)[*:1] C[NH+](Cc1ccccc1NC(=O)CS[*:1])C1CCCCC1
Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1[C@@H](c1ccccc1)[C@@H](C#N)C(N)=O NC(=O)[*:1] Cc1[nH]n(-c2nc(cs2)-c2ccccc2)c(=O)c1[C@@H](c1ccccc1)[C@@H](C#N)[*:1]
Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1[C@@H](c1ccccc1)[C@@H](C#N)C(N)=O c1ccc(cc1)[*:1] Cc1[nH]n(-c2nc(cs2)-c2ccccc2)c(=O)c1[C@@H]([C@@H](C#N)C(N)=O)[*:1]
Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1[C@@H](c1ccccc1)[C@@H](C#N)C(N)=O c1ccc(cc1)[*:1] Cc1[nH]n(-c2nc(cs2)[*:1])c(=O)c1[C@@H](c1ccccc1)[C@@H](C#N)C(N)=O
COCc1ccccc1CNC(=O)c1cc(F)c(F)c(F)c1F COC[*:1] O=C(NCc1ccccc1[*:1])c1cc(F)c(F)c(F)c1F
Cc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)OC3CCCC3)CCO2)n1 Cc1n[nH]c(n1)[*:1] C[C@@H](OC1CCCC1)C(=O)N1CCO[C@H](C1)[*:1]
Cc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)OC3CCCC3)CCO2)n1 C1CCC(C1)O[*:1] Cc1n[nH]c(n1)[C@H]1CN(CCO1)C(=O)[C@@H](C)[*:1]
Cc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)OC3CCCC3)CCO2)n1 C1CCC(C1)[*:1] Cc1n[nH]c(n1)[C@H]1CN(CCO1)C(=O)[C@@H](C)O[*:1]
COC(=O)N[C@@H](C(=O)[O-])C1COC1 O=C([O-])[*:1] COC(=O)N[C@@H](C1COC1)[*:1]
COC(=O)N[C@@H](C(=O)[O-])C1COC1 C1OCC1[*:1] COC(=O)N[C@@H](C(=O)[O-])[*:1]
C=CCNC(=O)NC(=O)CN1C(=O)c2ccccc2CS1(=O)=O C=CC[*:1] O=C(CN1C(=O)c2ccccc2CS1(=O)=O)NC(=O)N[*:1]
Cc1nc2cc(NC(=O)c3cccnc3OCC(F)(F)F)ccc2o1 FC(F)(F)[*:1] Cc1nc2cc(ccc2o1)NC(=O)c1cccnc1OC[*:1]
Cc1nc2cc(NC(=O)c3cccnc3OCC(F)(F)F)ccc2o1 FC(F)(F)CO[*:1] Cc1nc2cc(ccc2o1)NC(=O)c1cccnc1[*:1]
Cc1nc2cc(NC(=O)c3cccnc3OCC(F)(F)F)ccc2o1 FC(F)(F)C[*:1] Cc1nc2cc(ccc2o1)NC(=O)c1cccnc1O[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](CO)c2ccccc2F)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)N[C@@H](CO)c1ccccc1F)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](CO)c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccc(c(c1)OCC(=O)N[C@@H](CO)[*:1])C(C)C
Cc1cc2c(N3CCC(CS(N)(=O)=O)CC3)ncnc2s1 NS(=O)(=O)C[*:1] Cc1cc2c(ncnc2s1)N1CCC(CC1)[*:1]
Cc1cc2c(N3CCC(CS(N)(=O)=O)CC3)ncnc2s1 NS(=O)(=O)[*:1] Cc1cc2c(ncnc2s1)N1CCC(CC1)C[*:1]
CCOc1ccc2nc(Nc3nc(C)c(C(=O)OC)c(C)n3)nc(C)c2c1 COC(=O)[*:1] CCOc1ccc2nc(nc(C)c2c1)Nc1nc(C)c(c(C)n1)[*:1]
CCOc1ccc2nc(Nc3nc(C)c(C(=O)OC)c(C)n3)nc(C)c2c1 CCO[*:1] COC(=O)c1c(C)nc(nc1C)Nc1nc(C)c2cc(ccc2n1)[*:1]
O=C(CCC[C@H]1CCCO1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] O=C(CCC[C@H]1CCCO1)c1cccc(c1F)[*:1]
O=C(CCC[C@H]1CCCO1)c1cccc(C(F)(F)F)c1F C1CO[C@H](C1)C[*:1] O=C(CC[*:1])c1cccc(c1F)C(F)(F)F
O=C(CCC[C@H]1CCCO1)c1cccc(C(F)(F)F)c1F C1CO[C@H](C1)[*:1] O=C(CCC[*:1])c1cccc(c1F)C(F)(F)F
O=C(CCC[C@H]1CCCO1)c1cccc(C(F)(F)F)c1F C1CO[C@H](C1)CC[*:1] O=C(C[*:1])c1cccc(c1F)C(F)(F)F
C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1cccc2cnccc12 c1ccc(cc1)C[*:1] C[C@@H](CCO)N(C(=O)Nc1cccc2cnccc12)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1cccc2cnccc12 c1ccc(cc1)[*:1] C[C@@H](CCO)N(C[*:1])C(=O)Nc1cccc2cnccc12
C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1cccc2cnccc12 OCC[*:1] C[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc2cnccc12)[*:1]
CCCNC(=O)N(Cc1ccc(OC)cc1)Cc1ccco1 CCC[*:1] COc1ccc(cc1)CN(Cc1ccco1)C(=O)N[*:1]
CCCNC(=O)N(Cc1ccc(OC)cc1)Cc1ccco1 c1coc(c1)[*:1] CCCNC(=O)N(Cc1ccc(cc1)OC)C[*:1]
CCCNC(=O)N(Cc1ccc(OC)cc1)Cc1ccco1 c1coc(c1)C[*:1] CCCNC(=O)N(Cc1ccc(cc1)OC)[*:1]
CCC[C@@H]1CN(C(=O)CN(C)C(=O)COC)CCO1 CCC[*:1] COCC(=O)N(C)CC(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)CN(C)C(=O)COC)CCO1 COC[*:1] CCC[C@@H]1CN(CCO1)C(=O)CN(C)C(=O)[*:1]
COc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2cc(C)ccc2C)n1 Cc1ccc(C)c(c1)[*:1] COc1ccccc1-c1noc(n1)[C@H]1CCCN1C(=O)N[*:1]
COc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2cc(C)ccc2C)n1 COc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)N1CCC[C@@H]1c1nc(no1)[*:1]
CCCN(CC(=O)N(C)C)c1ccc2ncc([N+](=O)[O-])n2n1 CN(C)C(=O)C[*:1] CCCN(c1ccc2ncc(n2n1)[N+](=O)[O-])[*:1]
CCCN(CC(=O)N(C)C)c1ccc2ncc([N+](=O)[O-])n2n1 CCC[*:1] CN(C)C(=O)CN(c1ccc2ncc(n2n1)[N+](=O)[O-])[*:1]
CCCN(CC(=O)N(C)C)c1ccc2ncc([N+](=O)[O-])n2n1 CN(C)C(=O)[*:1] CCCN(C[*:1])c1ccc2ncc(n2n1)[N+](=O)[O-]
CCCN(CC(=O)N(C)C)c1ccc2ncc([N+](=O)[O-])n2n1 O=[N+]([O-])[*:1] CCCN(CC(=O)N(C)C)c1ccc2ncc(n2n1)[*:1]
Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1(C2CC2)CCC1 C1CC1[*:1] Cc1nc(sc1[C@H](C)[NH2+]CC1(CCC1)[*:1])-c1cccnc1
Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1(C2CC2)CCC1 C1CC(C1)(C1CC1)[*:1] Cc1nc(sc1[C@H](C)[NH2+]C[*:1])-c1cccnc1
Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1(C2CC2)CCC1 c1cncc(c1)[*:1] Cc1nc(sc1[C@H](C)[NH2+]CC1(CCC1)C1CC1)[*:1]
C=C(C)[C@H](CSc1ccccc1C)[NH2+]C C=C(C)[*:1] C[NH2+][C@@H](CSc1ccccc1C)[*:1]
CC(C)CCNC(=O)NCCC(=O)NC1CCCC1 CC(C)C[*:1] O=C(CCNC(=O)NC[*:1])NC1CCCC1
CC(C)CCNC(=O)NCCC(=O)NC1CCCC1 CC(C)[*:1] O=C(CCNC(=O)NCC[*:1])NC1CCCC1
CC(C)CCNC(=O)NCCC(=O)NC1CCCC1 C1CCC(C1)[*:1] CC(C)CCNC(=O)NCCC(=O)N[*:1]
CC(C)CCNC(=O)NCCC(=O)NC1CCCC1 CC(C)CC[*:1] O=C(CCNC(=O)N[*:1])NC1CCCC1
CC(C)CC(=O)NCCc1cccc(Cl)c1 CC(C)C[*:1] O=C(NCCc1cccc(Cl)c1)[*:1]
CC(C)CC(=O)NCCc1cccc(Cl)c1 CC(C)[*:1] O=C(C[*:1])NCCc1cccc(Cl)c1
CC(=O)c1c(F)cccc1N1CCN(Cc2cc(=O)n3ccsc3[nH+]2)CC1 CC(=O)[*:1] O=c1cc(CN2CCN(CC2)c2cccc(F)c2[*:1])[nH+]c2sccn12
Cc1cccc(O[C@@H](C)CNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1cccc(c1)O[C@@H](C)CNC(=O)N[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)O[*:1]
CCC[C@H](C#N)NC(=O)C[C@H](C)COC COC[C@@H](C)[*:1] CCC[C@H](C#N)NC(=O)C[*:1]
CCC[C@H](C#N)NC(=O)C[C@H](C)COC CCC[*:1] COC[C@@H](C)CC(=O)N[C@@H](C#N)[*:1]
CCC[C@H](C#N)NC(=O)C[C@H](C)COC COC[*:1] CCC[C@H](C#N)NC(=O)C[C@H](C)[*:1]
C[C@H](O)CNc1c(C#N)nnc2ccccc12 C[C@H](O)CN[*:1] N#Cc1nnc2ccccc2c1[*:1]
C[C@H](O)CNc1c(C#N)nnc2ccccc12 C[C@H](O)[*:1] N#Cc1nnc2ccccc2c1NC[*:1]
C[C@H](O)CNc1c(C#N)nnc2ccccc12 C[C@H](O)C[*:1] N#Cc1nnc2ccccc2c1N[*:1]
CCc1nn(C)cc1CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 c1csc(c1)[*:1] CCc1nn(C)cc1CNC(=O)[C@H](C)NS(=O)(=O)[*:1]
O=S(=O)(Nc1nc2ccc(Br)cc2s1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=S(=O)(Nc1nc2ccc(Br)cc2s1)[*:1]
CCn1cc(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)c(C)n1 c1cc(ccn1)CC[*:1] CCn1cc(C[NH+]2CCC3(CCC(=O)N(C3)[*:1])CC2)c(C)n1
CCn1cc(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)c(C)n1 c1cc(ccn1)C[*:1] CCn1cc(C[NH+]2CCC3(CCC(=O)N(C3)C[*:1])CC2)c(C)n1
CCn1cc(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)c(C)n1 c1cc(ccn1)[*:1] CCn1cc(C[NH+]2CCC3(CCC(=O)N(CC[*:1])C3)CC2)c(C)n1
CCn1cc(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)c(C)n1 CCn1cc(c(C)n1)[*:1] O=C1CCC2(CC[NH+](CC2)C[*:1])CN1CCc1ccncc1
CCn1cc(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)c(C)n1 CCn1cc(C[*:1])c(C)n1 O=C1CCC2(CC[NH+](CC2)[*:1])CN1CCc1ccncc1
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1 Brc1ccccc1[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1 CC(=O)[*:1] Cn1c(nnc1-c1ccccc1Br)SCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1 CC(=O)c1ccc(cc1)[*:1] Cn1c(nnc1-c1ccccc1Br)SCC(=O)N[*:1]
CC(C)Oc1ccc(CNc2cnn(CC(=O)N3CCOCC3)c2)cc1 CC(C)[*:1] O=C(Cn1cc(cn1)NCc1ccc(cc1)O[*:1])N1CCOCC1
CC(C)Oc1ccc(CNc2cnn(CC(=O)N3CCOCC3)c2)cc1 CC(C)O[*:1] O=C(Cn1cc(cn1)NCc1ccc(cc1)[*:1])N1CCOCC1
CC(C)Oc1ccc(CNc2cnn(CC(=O)N3CCOCC3)c2)cc1 O=C(N1CCOCC1)[*:1] CC(C)Oc1ccc(cc1)CNc1cnn(c1)C[*:1]
C[C@@H]1CCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C[C@H](C)C1 CS(=O)(=O)[*:1] C[C@@H]1CCN(C[C@H](C)C1)C(=O)N[C@@H](C[*:1])c1ccccc1
C[C@@H]1CCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C[C@H](C)C1 c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@H](C)C1)C(=O)N[C@@H](CS(C)(=O)=O)[*:1]
C[C@@H]1CCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C[C@H](C)C1 CS(=O)(=O)C[*:1] C[C@@H]1CCN(C[C@H](C)C1)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(=O)Nc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 Clc1ccc(cc1Cl)C[*:1] CC(=O)Nc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)Nc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 Clc1ccc(cc1Cl)[*:1] CC(=O)Nc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)C[*:1]
CC(=O)Nc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])C1CCN(CC1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
CC(=O)Nc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
CCc1cccc(C)c1NC(=O)CSC[C@@H](O)CO OC[C@H](O)[*:1] CCc1cccc(C)c1NC(=O)CSC[*:1]
CS(=O)(=O)O[C@H]1CCCN(S(C)(=O)=O)C1 CS(=O)(=O)O[*:1] CS(=O)(=O)N1CCC[C@@H](C1)[*:1]
CCCC[C@H](CCC)NC(=O)c1cnc2c(C)cccn2c1=O CCC[*:1] CCCC[C@H](NC(=O)c1cnc2c(C)cccn2c1=O)[*:1]
CCCC[C@H](CCC)NC(=O)c1cnc2c(C)cccn2c1=O CCCC[*:1] CCC[C@H](NC(=O)c1cnc2c(C)cccn2c1=O)[*:1]
CCCC[C@H](CCC)NC(=O)c1cnc2c(C)cccn2c1=O CCC[*:1] CCC[C@@H](C[*:1])NC(=O)c1cnc2c(C)cccn2c1=O
C[C@@H]1CCC[C@@H](C)C1NC(=O)CN(C)C(=O)c1cccs1 c1csc(c1)[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)CN(C)C(=O)[*:1]
COc1ncccc1C(=O)NC[C@H](C)S(N)(=O)=O NS(=O)(=O)[*:1] COc1ncccc1C(=O)NC[C@H](C)[*:1]
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[C@@H](C#N)c1ccc(F)cn1 CC(C)[*:1] Cc1ccc(cc1O[C@H](C)C(=O)[C@@H](C#N)c1ccc(F)cn1)[*:1]
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[C@@H](C#N)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] Cc1ccc(cc1O[C@H](C)C(=O)[C@@H](C#N)[*:1])C(C)C
CCOc1ccc(Cc2nc3sc(CC)cc3c(=O)[nH]2)cc1 CCO[*:1] CCc1cc2c(=O)[nH]c(Cc3ccc(cc3)[*:1])nc2s1
Cn1ccc(NC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)n1 Cn1ccc(n1)[*:1] O=C(N[*:1])C(=O)N1CCC(CC1)[C@H](O)c1ccccc1
Cn1ccc(NC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)n1 O[C@H](c1ccccc1)[*:1] Cn1ccc(n1)NC(=O)C(=O)N1CCC(CC1)[*:1]
Cn1ccc(NC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cn1ccc(n1)NC(=O)C(=O)N1CCC(CC1)[C@H](O)[*:1]
Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 Cc1oncc1C(=O)N[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1ccc(F)c(c1)C(F)(F)F
Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 FC(F)(F)[*:1] Cc1oncc1C(=O)Nc1cccc(c1)[N-]S(=O)(=O)c1ccc(F)c(c1)[*:1]
Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 Cc1oncc1[*:1] O=C(Nc1cccc(c1)[N-]S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)[*:1]
O=C(CNC(=O)c1ccccc1I)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] O=C(CNC(=O)c1ccccc1I)Nc1cnn(c1)[*:1]
O=C(CNC(=O)c1ccccc1I)Nc1cnn(C[C@H]2CCCO2)c1 Ic1ccccc1[*:1] O=C(CNC(=O)[*:1])Nc1cnn(c1)C[C@H]1CCCO1
CC[C@@H]1C=CCN1S(=O)(=O)c1sc2c(c1C(=O)[O-])CC[NH2+]C2 O=C([O-])[*:1] CC[C@@H]1C=CCN1S(=O)(=O)c1sc2C[NH2+]CCc2c1[*:1]
O=c1cncc(-c2ccccc2C(F)(F)F)[nH]1 FC(F)(F)[*:1] O=c1cncc([nH]1)-c1ccccc1[*:1]
C[C@H](NC(=O)NCc1cccs1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H](NC(=O)NCc1cccs1)c1cccc(c1)[*:1]
C[C@H](NC(=O)NCc1cccs1)c1cccc(OC(F)F)c1 c1csc(c1)C[*:1] C[C@H](NC(=O)N[*:1])c1cccc(c1)OC(F)F
C[C@H](NC(=O)NCc1cccs1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H](NC(=O)NCc1cccs1)c1cccc(c1)O[*:1]
C[C@H](NC(=O)NCc1cccs1)c1cccc(OC(F)F)c1 c1csc(c1)[*:1] C[C@H](NC(=O)NC[*:1])c1cccc(c1)OC(F)F
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1cc(ccc1N(C)C)C(F)(F)F
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cccc1[N+](=O)[O-] CN(C)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cccc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1cc(ccc1N(C)C)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1Cl CS(=O)(=O)C[*:1] C[C@@H](N(C)S(=O)(=O)c1ccc(F)cc1Cl)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1Cl CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C)S(=O)(=O)c1ccc(F)cc1Cl
C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)c1cccc(F)c1 c1ccc(cc1)C[*:1] C[C@H](S[*:1])C(=O)N[C@@H](C)c1cccc(F)c1
C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)[*:1]
C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)c1cccc(F)c1 c1ccc(cc1)[*:1] C[C@H](SC[*:1])C(=O)N[C@@H](C)c1cccc(F)c1
C[C@@H](CCNC(=O)N1CCNC(=O)C1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](CCNC(=O)N1CCNC(=O)C1)c1cccc(c1)[*:1]
Clc1cccc(N2CCCC2)c1C[NH2+]Cc1ccccn1 c1ccc(nc1)[*:1] Clc1cccc(c1C[NH2+]C[*:1])N1CCCC1
Clc1cccc(N2CCCC2)c1C[NH2+]Cc1ccccn1 C1CCN(C1)[*:1] Clc1cccc(c1C[NH2+]Cc1ccccn1)[*:1]
Clc1cccc(N2CCCC2)c1C[NH2+]Cc1ccccn1 c1ccc(C[*:1])nc1 Clc1cccc(c1C[NH2+][*:1])N1CCCC1
C[C@H](CC(=O)N(C)C1CCCCC1)c1ccccc1 C1CCC(CC1)[*:1] C[C@H](CC(=O)N(C)[*:1])c1ccccc1
C[C@H](CC(=O)N(C)C1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N(C)C1CCCCC1)[*:1]
Cc1c(C(=O)Nc2ccccc2Oc2ccccc2)cnn1C c1ccc(cc1)O[*:1] Cc1c(cnn1C)C(=O)Nc1ccccc1[*:1]
Cc1c(C(=O)Nc2ccccc2Oc2ccccc2)cnn1C Cc1c(cnn1C)[*:1] O=C(Nc1ccccc1Oc1ccccc1)[*:1]
Cc1c(C(=O)Nc2ccccc2Oc2ccccc2)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)C(=O)Nc1ccccc1O[*:1]
Cc1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)NC(=O)c1ccc(Br)c(c1)[*:1]
COc1c(C)cccc1C(=O)NCc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] COc1c(C)cccc1C(=O)NCc1ccc(cc1)[*:1]
COCc1ccc(CNC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 COC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1 CC(C)C[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1 CC(C)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1 COc1ccc(cc1)[*:1] CC(C)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(N2CCOCC2)cc1 C1CN(CCO1)[*:1] C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(cc1)[*:1]
COc1ccc(CNC(=O)NC[C@@H](O)c2ccco2)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)CNC(=O)NC[C@@H](O)[*:1]
C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC(C)(C)O CC(C)(O)C[*:1] C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[*:1]
C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC(C)(C)O CC(C)(O)[*:1] C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC[*:1]
c1ccc2c3c(ccc2c1)[C@@H]([NH2+]Cc1ncc[nH]1)CCCO3 c1c[nH]c(n1)[*:1] c1ccc2c3OCCC[C@H]([NH2+]C[*:1])c3ccc2c1
Cc1cccc(C2(NC(=O)NCc3nnc4n3CCC4)CCCC2)c1 C1Cc2nnc(n2C1)[*:1] Cc1cccc(c1)C1(CCCC1)NC(=O)NC[*:1]
Cc1cccc(C2(NC(=O)NCc3nnc4n3CCC4)CCCC2)c1 Cc1cccc(c1)[*:1] O=C(NCc1nnc2CCCn21)NC1(CCCC1)[*:1]
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)o2)C2=C([O-])CCCC2=N1 Cc1ccc(o1)[*:1] CCc1ccccc1NC(=O)CSC1N=C2CCCC([O-])=C2[C@H](C=1C#N)[*:1]
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)o2)C2=C([O-])CCCC2=N1 CCc1ccccc1[*:1] Cc1ccc(o1)[C@@H]1C(C#N)=C(N=C2CCCC([O-])=C21)SCC(=O)N[*:1]
O=C(NCc1ccc(OC2CCCCC2)cc1)N1CCC[C@@H](CCO)C1 OCC[*:1] O=C(NCc1ccc(cc1)OC1CCCCC1)N1CCC[C@@H](C1)[*:1]
O=C(NCc1ccc(OC2CCCCC2)cc1)N1CCC[C@@H](CCO)C1 C1CCC(CC1)O[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCC[C@@H](CCO)C1
O=C(NCc1ccc(OC2CCCCC2)cc1)N1CCC[C@@H](CCO)C1 C1CCC(CC1)[*:1] O=C(NCc1ccc(cc1)O[*:1])N1CCC[C@@H](CCO)C1
Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl Cn1cccc1[*:1] O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@H]1[*:1]
CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1n[nH]c2c1CCCC2 C1CCc2c(n[nH]c2C1)[*:1] CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)[*:1]
CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1n[nH]c2c1CCCC2 Clc1ccc(cc1)CC[*:1] CN(CC1CC[NH+](CC1)[*:1])C(=O)c1n[nH]c2CCCCc12
CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1n[nH]c2c1CCCC2 Clc1ccc(cc1)C[*:1] CN(CC1CC[NH+](CC1)C[*:1])C(=O)c1n[nH]c2CCCCc12
CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1n[nH]c2c1CCCC2 Clc1ccc(cc1)[*:1] CN(CC1CC[NH+](CC1)CC[*:1])C(=O)c1n[nH]c2CCCCc12
C[C@@H](CCCO)[NH2+][C@H]1C[C@H]2CC=C[C@H]12 OCC[*:1] C[C@@H](C[*:1])[NH2+][C@H]1C[C@H]2CC=C[C@H]12
C[C@@H](CCCO)[NH2+][C@H]1C[C@H]2CC=C[C@H]12 OCCC[*:1] C[C@@H]([NH2+][C@H]1C[C@H]2CC=C[C@H]12)[*:1]
Cc1ccncc1[N-]S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 Cc1ccncc1[*:1] O=C(c1cc(c[nH]1)S(=O)(=O)[N-][*:1])N1CCCC1
Cc1ccncc1[N-]S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] Cc1ccncc1[N-]S(=O)(=O)c1c[nH]c(c1)[*:1]
CC(=O)c1ccc(Sc2nnc(C3CC3)s2)c([N+](=O)[O-])c1 CC(=O)[*:1] O=[N+]([O-])c1cc(ccc1Sc1nnc(s1)C1CC1)[*:1]
CC(=O)c1ccc(Sc2nnc(C3CC3)s2)c([N+](=O)[O-])c1 C1CC1[*:1] CC(=O)c1ccc(Sc2nnc(s2)[*:1])c(c1)[N+](=O)[O-]
CC(=O)c1ccc(Sc2nnc(C3CC3)s2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(Sc2nnc(s2)C2CC2)c(c1)[*:1]
CC1CCN(C(=O)C2CCC2)CC1 C1CC(C1)[*:1] CC1CCN(CC1)C(=O)[*:1]
CC[C@@H](C)C[C@@H](C)Nc1nc(Cl)ncc1F CC[C@@H](C)[*:1] C[C@H](C[*:1])Nc1nc(Cl)ncc1F
CC[C@@H](C)C[C@@H](C)Nc1nc(Cl)ncc1F CC[C@@H](C)C[*:1] C[C@@H](Nc1nc(Cl)ncc1F)[*:1]
COc1ccccc1C[C@H](C)N(C)C(=O)Nc1cccc(F)c1C COc1ccccc1[*:1] Cc1c(F)cccc1NC(=O)N(C)[C@@H](C)C[*:1]
COc1ccccc1C[C@H](C)N(C)C(=O)Nc1cccc(F)c1C Cc1c(F)cccc1[*:1] COc1ccccc1C[C@H](C)N(C)C(=O)N[*:1]
C[C@@H](NC(=O)NCc1cscn1)C1CC1 C[C@@H](C1CC1)[*:1] O=C(NCc1cscn1)N[*:1]
C[C@@H](NC(=O)NCc1cscn1)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)NCc1cscn1)[*:1]
C[C@@H](NC(=O)NCc1cscn1)C1CC1 c1nc(cs1)[*:1] C[C@@H](NC(=O)NC[*:1])C1CC1
CC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccccc2-n2nc(C)nc2C)C1 CC(=O)NC[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N1CCC[C@H](C1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccccc2-n2nc(C)nc2C)C1 CC(=O)N[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N1CCC[C@H](C1)C[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccccc2-n2nc(C)nc2C)C1 Cc1nc(C)n(n1)[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)Nc1ccccc1[*:1]
C[C@H]1CCN(c2cc(-n3cccn3)nc(N)n2)C[C@@H]1O c1cnn(c1)[*:1] C[C@H]1CCN(C[C@@H]1O)c1cc(nc(N)n1)[*:1]
C[NH2+][C@@H]1COC[C@@H]1c1nc(CCC(F)(F)F)no1 FC(F)(F)[*:1] C[NH2+][C@@H]1COC[C@@H]1c1nc(CC[*:1])no1
C[NH2+][C@@H]1COC[C@@H]1c1nc(CCC(F)(F)F)no1 FC(F)(F)C[*:1] C[NH2+][C@@H]1COC[C@@H]1c1nc(C[*:1])no1
C[NH2+][C@@H]1COC[C@@H]1c1nc(CCC(F)(F)F)no1 FC(F)(F)CC[*:1] C[NH2+][C@@H]1COC[C@@H]1c1nc(no1)[*:1]
CCCCCC[C@@H]([NH3+])CN(C)C CCCC[*:1] CN(C)C[C@H]([NH3+])CC[*:1]
CCCCCC[C@@H]([NH3+])CN(C)C CCC[*:1] CN(C)C[C@H]([NH3+])CCC[*:1]
CCCCCC[C@@H]([NH3+])CN(C)C CN(C)C[*:1] CCCCCC[C@@H]([NH3+])[*:1]
CCCCCC[C@@H]([NH3+])CN(C)C CN(C)[*:1] CCCCCC[C@@H]([NH3+])C[*:1]
CC(C)C[C@@H](NC(=O)c1cccn(C)c1=O)c1nnc2n1CC[NH2+]CC2 CC(C)C[*:1] Cn1cccc(C(=O)N[C@@H](c2nnc3CC[NH2+]CCn32)[*:1])c1=O
CC(C)C[C@@H](NC(=O)c1cccn(C)c1=O)c1nnc2n1CC[NH2+]CC2 CC(C)[*:1] Cn1cccc(C(=O)N[C@H](C[*:1])c2nnc3CC[NH2+]CCn32)c1=O
CC(C)C[C@@H](NC(=O)c1cccn(C)c1=O)c1nnc2n1CC[NH2+]CC2 Cn1cccc(c1=O)[*:1] CC(C)C[C@@H](NC(=O)[*:1])c1nnc2CC[NH2+]CCn21
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1scnc1C1CC1 C1CC1[*:1] O=C(NCCC[NH+]1CCN(CC1)c1ncccn1)c1scnc1[*:1]
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1scnc1C1CC1 c1cnc(nc1)[*:1] O=C(NCCC[NH+]1CCN(CC1)[*:1])c1scnc1C1CC1
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1scnc1C1CC1 c1nc(c(s1)[*:1])C1CC1 O=C(NCCC[NH+]1CCN(CC1)c1ncccn1)[*:1]
CCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(F)c2)cc1 CCC(=O)[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)Nc1cccc(F)c1
CCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CCC(=O)c1ccc(cc1)O[C@@H](C)C(=O)N[*:1]
COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2CCCN2[C@@]32C(=O)Nc3c(Cl)cc(C)cc32)c1 COc1ccc(OC)c(c1)[*:1] Cc1cc(Cl)c2NC(=O)[C@@]3(c2c1)[C@H]1C(=O)N(C(=O)[C@H]1[C@H]1CCCN13)[*:1]
O=C(C[C@H]1C=CCC1)NNC(=O)c1cccnc1 c1cncc(c1)[*:1] O=C(C[C@H]1C=CCC1)NNC(=O)[*:1]
CC[NH+](Cc1ccc(CC(C)C)cc1)C1CCC([NH3+])CC1 CC(C)[*:1] CC[NH+](Cc1ccc(cc1)C[*:1])C1CCC([NH3+])CC1
CC[NH+](Cc1ccc(CC(C)C)cc1)C1CCC([NH3+])CC1 CC(C)C[*:1] CC[NH+](Cc1ccc(cc1)[*:1])C1CCC([NH3+])CC1
C[NH2+]C1(CCNCc2sccc2C)CCCCC1 Cc1ccsc1[*:1] C[NH2+]C1(CCCCC1)CCNC[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2ccccc2n1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2ccccc2n1[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2ccccc2n1-c1ccccc1 CC(C)[*:1] C[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)Nc1ccnn1[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2ccccc2n1-c1ccccc1 CC(C)n1nccc1[*:1] C[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)N[*:1]
O=c1[nH]c(-c2cnccn2)nc2c1CCN(Cc1ccccc1C(F)(F)F)CC2 c1cnc(cn1)[*:1] O=c1[nH]c(nc2CCN(CCc21)Cc1ccccc1C(F)(F)F)[*:1]
O=c1[nH]c(-c2cnccn2)nc2c1CCN(Cc1ccccc1C(F)(F)F)CC2 FC(F)(F)[*:1] O=c1[nH]c(nc2CCN(CCc21)Cc1ccccc1[*:1])-c1cnccn1
CC(C)n1nccc1C(=O)Nc1c[nH]cc(Br)c1=O CC(C)[*:1] O=C(Nc1c[nH]cc(Br)c1=O)c1ccnn1[*:1]
CCN(CC(=O)NCc1cccs1)C(=O)C[N+]12CCN(CC1)CC2 c1csc(c1)[*:1] CCN(CC(=O)NC[*:1])C(=O)C[N+]12CCN(CC1)CC2
CCN(CC(=O)NCc1cccs1)C(=O)C[N+]12CCN(CC1)CC2 c1csc(c1)C[*:1] CCN(CC(=O)N[*:1])C(=O)C[N+]12CCN(CC1)CC2
Cc1c(NCC(C)C)c(CO)nn1C CC(C)[*:1] Cc1c(NC[*:1])c(CO)nn1C
Cc1c(NCC(C)C)c(CO)nn1C CC(C)C[*:1] Cc1c(N[*:1])c(CO)nn1C
CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 CCS(=O)(=O)[*:1] CCN([C@@H](C)C[*:1])S(=O)(=O)c1c[nH]c2nccc(Cl)c12
CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 CCS(=O)(=O)C[*:1] CCN([C@@H](C)[*:1])S(=O)(=O)c1c[nH]c2nccc(Cl)c12
COc1ccc(NC(=O)Cn2nc3ccc(C(=O)Nc4ccc(C)cc4)cn3c2=O)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Cn1nc2ccc(cn2c1=O)C(=O)N[*:1]
COc1ccc(NC(=O)Cn2nc3ccc(C(=O)Nc4ccc(C)cc4)cn3c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1ccc2nn(CC(=O)N[*:1])c(=O)n2c1
COc1ccc(NC(=O)Cn2nc3ccc(C(=O)Nc4ccc(C)cc4)cn3c2=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] COc1ccc(cc1)NC(=O)Cn1nc2ccc(cn2c1=O)[*:1]
O=C(Nc1ccc(F)cc1)NC1(C(=O)NCc2ccc3c(c2)OCO3)CCCCC1 c1cc2OCOc2cc1[*:1] O=C(Nc1ccc(F)cc1)NC1(CCCCC1)C(=O)NC[*:1]
O=C(Nc1ccc(F)cc1)NC1(C(=O)NCc2ccc3c(c2)OCO3)CCCCC1 Fc1ccc(cc1)[*:1] O=C(NC1(CCCCC1)C(=O)NCc1ccc2OCOc2c1)N[*:1]
O=C(Nc1ccc(F)cc1)NC1(C(=O)NCc2ccc3c(c2)OCO3)CCCCC1 c1cc2OCOc2cc1C[*:1] O=C(Nc1ccc(F)cc1)NC1(CCCCC1)C(=O)N[*:1]
O=C([O-])c1cccnc1C(=O)Nc1ccc(Cl)cn1 O=C([O-])[*:1] O=C(Nc1ccc(Cl)cn1)c1ncccc1[*:1]
CN(C)c1nc(N2CCOCC2)n/c(=N/N=C/C2=c3ccccc3=[NH+]C2)[nH]1 C1CN(CCO1)[*:1] CN(C)c1nc(n/c(=N/N=C/C2C[NH+]=c3ccccc3=2)[nH]1)[*:1]
CN(C)c1nc(N2CCOCC2)n/c(=N/N=C/C2=c3ccccc3=[NH+]C2)[nH]1 CN(C)[*:1] C(=N/N=c1/nc(nc([nH]1)[*:1])N1CCOCC1)\C1C[NH+]=c2ccccc2=1
CCCN1C(=O)N[C@](C)(CC(C)C)C1=O CCC[*:1] CC(C)C[C@@]1(C)NC(=O)N(C1=O)[*:1]
CCCN1C(=O)N[C@](C)(CC(C)C)C1=O CC(C)C[*:1] CCCN1C(=O)N[C@](C)(C1=O)[*:1]
CCCN1C(=O)N[C@](C)(CC(C)C)C1=O CC(C)[*:1] CCCN1C(=O)N[C@](C)(C[*:1])C1=O
CCc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N(C)C CN(C)[*:1] CCc1ccccc1OCC(=O)Nc1cc(Cl)ccc1[*:1]
CNC(=O)c1cccc(NC(=O)COc2ccc(C#N)cc2Cl)c1 CNC(=O)[*:1] N#Cc1ccc(OCC(=O)Nc2cccc(c2)[*:1])c(Cl)c1
CCS(=O)(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 FC(F)(F)[*:1] CCS(=O)(=O)NC[C@H](c1ccc(cc1)[*:1])N1CCOCC1
CCS(=O)(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] CCS(=O)(=O)NC[C@H](c1ccc(cc1)C(F)(F)F)[*:1]
CCS(=O)(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 CCS(=O)(=O)N[*:1] FC(F)(F)c1ccc(cc1)[C@@H](C[*:1])N1CCOCC1
CCS(=O)(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 CCS(=O)(=O)NC[*:1] FC(F)(F)c1ccc(cc1)[C@H](N1CCOCC1)[*:1]
N#C[C@@H](C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F O=C(NC1CCCC1)[*:1] N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)[*:1]
N#C[C@@H](C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] N#C[C@@H](C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccccc1[*:1]
N#C[C@@H](C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F C1CCC(C1)[*:1] N#C[C@@H](C(=O)N[*:1])C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F
CCCN(C(=O)c1cccc(F)c1F)C1CCC([NH3+])CC1 CCC[*:1] [NH3+]C1CCC(CC1)N(C(=O)c1cccc(F)c1F)[*:1]
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](C1)c1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C1 CC(C)(C)[*:1] O=C([O-])[C@@H]1CN(C[C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)O[*:1]
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1C[C@@H]([C@@H](C1)c1cccc(c1)[N+](=O)[O-])[*:1]
COc1ccc(/C=N/NC(N)=S)c2ccccc12 NC(=S)NN=C[*:1] COc1ccc(c2ccccc12)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C)[*:1]
CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccc(Cl)cc1)NC(=S)N[C@H]2c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](NC(=S)N[C@@H]2[*:1])c1ccc(Cl)cc1
O=C1C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)[C@H](c2ccccc2)O1 O=C([O-])[*:1] O=C1C[C@@H](C(=O)Nc2cccc(c2)[*:1])[C@@H](O1)c1ccccc1
O=C1C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)Nc2cccc(c2)C(=O)[O-])[C@H](O1)[*:1]
Cc1n[nH]c(-c2ccc(NC(=O)N3C[C@H](C)O[C@H](C)C3)cc2)n1 Cc1n[nH]c(n1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1ccc(cc1)[*:1]
CCC(CC)[C@H]1C(=N)NC(=O)N1CC(C)C CC(C)[*:1] CCC(CC)[C@H]1C(=N)NC(=O)N1C[*:1]
CCC(CC)[C@H]1C(=N)NC(=O)N1CC(C)C CC(C)C[*:1] CCC(CC)[C@H]1C(=N)NC(=O)N1[*:1]
CCC(CC)[C@H]1C(=N)NC(=O)N1CC(C)C CCC(CC)[*:1] CC(C)CN1C(=O)NC(=N)[C@@H]1[*:1]
C[C@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(F)cn1 Fc1cccc(c1)[*:1] C[C@H](NC[C@@H](N1CCOCC1)[*:1])c1ccc(F)cn1
C[C@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)[*:1]
C[C@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(F)cn1 C1CN(CCO1)[*:1] C[C@H](NC[C@@H](c1cccc(F)c1)[*:1])c1ccc(F)cn1
CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 Cc1nnnn1[*:1] CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(c1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 CC[C@H](C)[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)C(=O)N[C@H](C)[*:1]
CCO[C@H](C)c1nc(CN(C)c2nc(C3CC3)no2)cs1 CCO[C@H](C)[*:1] CN(Cc1csc(n1)[*:1])c1nc(no1)C1CC1
CCO[C@H](C)c1nc(CN(C)c2nc(C3CC3)no2)cs1 CCO[*:1] C[C@H](c1nc(cs1)CN(C)c1nc(no1)C1CC1)[*:1]
CCO[C@H](C)c1nc(CN(C)c2nc(C3CC3)no2)cs1 C1CC1[*:1] CCO[C@H](C)c1nc(cs1)CN(C)c1nc(no1)[*:1]
CC(=O)N(C)c1ccc(OC(=O)c2cnc3c(C)cccn3c2=O)cc1 CC(=O)N(C)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)Oc1ccc(cc1)[*:1]
O=C(OC[C@H]1CC(=O)N(C2CC2)C1)C1CCN(CC(F)(F)F)CC1 C1CC1[*:1] O=C(OC[C@H]1CC(=O)N(C1)[*:1])C1CCN(CC1)CC(F)(F)F
O=C(OC[C@H]1CC(=O)N(C2CC2)C1)C1CCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] O=C(OC[C@H]1CC(=O)N(C1)C1CC1)C1CCN(CC1)C[*:1]
O=C(OC[C@H]1CC(=O)N(C2CC2)C1)C1CCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] O=C(OC[C@H]1CC(=O)N(C1)C1CC1)C1CCN(CC1)[*:1]
C[C@H]1CCc2c(sc(NC(=O)c3c(I)cnn3C)c2C(N)=O)C1 NC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1c(I)cnn1C)c2[*:1]
C[C@H]1CCc2c(sc(NC(=O)c3c(I)cnn3C)c2C(N)=O)C1 Cn1ncc(I)c1[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)[C@@H]1CC=CC[C@H]1[*:1]
COc1ccnc(N2CCN(Cc3nc(C4CC4)no3)CC2)n1 C1CC1[*:1] COc1ccnc(n1)N1CCN(CC1)Cc1nc(no1)[*:1]
C/C(=C\c1c(Cl)nc2sccn12)C[NH2+]C1CC1 C1CC1[*:1] C/C(=C\c1c(Cl)nc2sccn12)C[NH2+][*:1]
CCOC(=O)CN(CC1CC1)c1ncnc2[nH]ncc12 CCOC(=O)C[*:1] c1nc(c2cn[nH]c2n1)N(CC1CC1)[*:1]
CCOC(=O)CN(CC1CC1)c1ncnc2[nH]ncc12 C1CC1C[*:1] CCOC(=O)CN(c1ncnc2[nH]ncc12)[*:1]
CCOC(=O)CN(CC1CC1)c1ncnc2[nH]ncc12 CCOC(=O)[*:1] c1nc(c2cn[nH]c2n1)N(CC1CC1)C[*:1]
CCOC(=O)CN(CC1CC1)c1ncnc2[nH]ncc12 C1CC1[*:1] CCOC(=O)CN(C[*:1])c1ncnc2[nH]ncc12
COc1ccc(F)cc1NC(=O)c1nc(-c2cccc(Cl)c2)[nH]c1C Clc1cccc(c1)[*:1] COc1ccc(F)cc1NC(=O)c1nc([nH]c1C)[*:1]
OC[C@@H](O)CS[C@@H]1C[NH2+]C[C@H]1O OC[C@@H](O)[*:1] O[C@@H]1C[NH2+]C[C@H]1SC[*:1]
O=C(c1ccc(Cl)c2cccnc12)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(Cl)c2cccnc12)N1CC[C@@H](C1)N[*:1]
O=C(c1ccc(Cl)c2cccnc12)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=C(c1ccc(Cl)c2cccnc12)N1CC[C@H](C1)[*:1]
COc1cc(C(=O)Oc2ccc(C(C)=O)cc2)cc(OC)c1OC CC(=O)[*:1] COc1cc(cc(OC)c1OC)C(=O)Oc1ccc(cc1)[*:1]
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CC1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(CC4)C(=O)[*:1])[C@H]3CC=12
Cc1csc(C[S@](=O)[C@@H](C)C(=O)Nc2ccccc2Cl)n1 Cc1csc(C[*:1])n1 C[C@@H](C(=O)Nc1ccccc1Cl)[S@@](=O)[*:1]
Cc1csc(C[S@](=O)[C@@H](C)C(=O)Nc2ccccc2Cl)n1 Cc1csc(n1)[*:1] C[C@@H](C(=O)Nc1ccccc1Cl)[S@@](=O)C[*:1]
Cc1csc(C[S@](=O)[C@@H](C)C(=O)Nc2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1csc(C[S@](=O)[C@@H](C)C(=O)N[*:1])n1
CC(C)[C@@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)N1C[C@H](C)O[C@H](C)C1 CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@H](C(=O)N1CCc2c(C1)sc(N)c2C#N)[*:1]
CCn1c(NCCCO)nc2c1c(=O)n(C)c(=O)n2C OCCC[*:1] CCn1c(nc2c1c(=O)n(C)c(=O)n2C)N[*:1]
CCn1c(NCCCO)nc2c1c(=O)n(C)c(=O)n2C OCCCN[*:1] CCn1c(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
CCn1c(NCCCO)nc2c1c(=O)n(C)c(=O)n2C OCC[*:1] CCn1c(nc2c1c(=O)n(C)c(=O)n2C)NC[*:1]
O=C([O-])c1ccc(-c2ccc[nH]c2=O)cc1 O=C([O-])[*:1] O=c1[nH]cccc1-c1ccc(cc1)[*:1]
COc1ncccc1-c1nn(CC(=O)Nc2cnn(C)n2)c2ccccc12 Cn1ncc(n1)NC(=O)[*:1] COc1ncccc1-c1nn(C[*:1])c2ccccc12
COc1ncccc1-c1nn(CC(=O)Nc2cnn(C)n2)c2ccccc12 COc1ncccc1[*:1] Cn1ncc(n1)NC(=O)Cn1nc(c2ccccc21)[*:1]
COc1ncccc1-c1nn(CC(=O)Nc2cnn(C)n2)c2ccccc12 Cn1ncc(n1)[*:1] COc1ncccc1-c1nn(CC(=O)N[*:1])c2ccccc12
CN(CCN(C)C(=O)c1cccc(-n2cncn2)c1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(CCN(C)C(=O)c1cccc(c1)-n1cncn1)C(=O)O[*:1]
CN(CCN(C)C(=O)c1cccc(-n2cncn2)c1)C(=O)OC(C)(C)C c1ncn(n1)[*:1] CN(CCN(C)C(=O)c1cccc(c1)[*:1])C(=O)OC(C)(C)C
O=C(NC1CCCCC1)C1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)C1CCN(CC1)[*:1]
O=C(NC1CCCCC1)C1CCN(c2ccccc2)CC1 C1CCC(CC1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccccc1
CC(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F Clc1ccc(cc1)[*:1] CC(C)NC(=O)c1cnn(c1C(F)(F)F)[*:1]
CC(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F FC(F)(F)[*:1] CC(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1[*:1]
CC(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F CC(C)NC(=O)[*:1] FC(F)(F)c1c(cnn1-c1ccc(Cl)cc1)[*:1]
CC(C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F CC(C)[*:1] O=C(N[*:1])c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
CCOCCOc1cccc(C[NH2+]C)c1 CCOC[*:1] C[NH2+]Cc1cccc(c1)OC[*:1]
CCOCCOc1cccc(C[NH2+]C)c1 CCOCC[*:1] C[NH2+]Cc1cccc(c1)O[*:1]
CCOCCOc1cccc(C[NH2+]C)c1 CCO[*:1] C[NH2+]Cc1cccc(c1)OCC[*:1]
N#C[C@@H](C(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@@H](C(=O)CCc1ccc(cc1)C(F)(F)F)[*:1]
N#C[C@@H](C(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(F)cn1 FC(F)(F)[*:1] N#C[C@@H](C(=O)CCc1ccc(cc1)[*:1])c1ccc(F)cn1
CCSc1nnc(N)n1CC(=O)Nc1oc(C)c(C)c1C#N CCS[*:1] Cc1oc(NC(=O)Cn2c(N)nnc2[*:1])c(C#N)c1C
O=C(CN1CCN(C(=O)NCc2ccc(-n3cccn3)cc2)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(NCc1ccc(cc1)-n1cccn1)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)NCc2ccc(-n3cccn3)cc2)CC1)N1CCCC1 c1cnn(c1)[*:1] O=C(CN1CCN(CC1)C(=O)NCc1ccc(cc1)[*:1])N1CCCC1
O=C(CN1CCN(C(=O)NCc2ccc(-n3cccn3)cc2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(NCc1ccc(cc1)-n1cccn1)N1CCN(CC1)C[*:1]
N#CCCCC[S@@](=O)Cc1coc(-c2ccc(F)c(F)c2)n1 N#CC[*:1] O=[S@](CCC[*:1])Cc1coc(n1)-c1ccc(F)c(F)c1
N#CCCCC[S@@](=O)Cc1coc(-c2ccc(F)c(F)c2)n1 N#CCC[*:1] O=[S@](CC[*:1])Cc1coc(n1)-c1ccc(F)c(F)c1
N#CCCCC[S@@](=O)Cc1coc(-c2ccc(F)c(F)c2)n1 N#CCCCC[*:1] O=[S@@](Cc1coc(n1)-c1ccc(F)c(F)c1)[*:1]
N#CCCCC[S@@](=O)Cc1coc(-c2ccc(F)c(F)c2)n1 N#CCCC[*:1] O=[S@@](Cc1coc(n1)-c1ccc(F)c(F)c1)C[*:1]
CC(C)C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1 CC(C)[*:1] C[C@@H](CS(C)(=O)=O)[NH2+][C@H](C[*:1])c1ccc(Cl)cc1
CC(C)C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1 CS(=O)(=O)C[*:1] CC(C)C[C@@H]([NH2+][C@@H](C)[*:1])c1ccc(Cl)cc1
CC(C)C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1 CS(=O)(=O)[*:1] CC(C)C[C@@H]([NH2+][C@@H](C)C[*:1])c1ccc(Cl)cc1
CC(C)C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1 CC(C)C[*:1] C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](c1ccc(Cl)cc1)[*:1]
CC(C)C(=O)Nc1cc(C(=O)NC2CCCCCC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1cc(nn1[*:1])C(=O)NC1CCCCCC1
CC(C)C(=O)Nc1cc(C(=O)NC2CCCCCC2)nn1-c1ccccc1 CC(C)C(=O)N[*:1] O=C(NC1CCCCCC1)c1cc(n(n1)-c1ccccc1)[*:1]
CC(C)C(=O)Nc1cc(C(=O)NC2CCCCCC2)nn1-c1ccccc1 C1CCCC(CC1)[*:1] CC(C)C(=O)Nc1cc(nn1-c1ccccc1)C(=O)N[*:1]
CC(C)C(=O)Nc1cc(C(=O)NC2CCCCCC2)nn1-c1ccccc1 CC(C)[*:1] O=C(NC1CCCCCC1)c1cc(NC(=O)[*:1])n(n1)-c1ccccc1
CCN(CCC(=O)[O-])C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 O=C([O-])[*:1] CCN(CC[*:1])C(=O)[C@@H]1C=C[C@@H]([NH3+])C1
CCN(CCC(=O)[O-])C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 O=C([O-])CC[*:1] CCN(C(=O)[C@@H]1C=C[C@@H]([NH3+])C1)[*:1]
CCN(CCC(=O)[O-])C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 O=C([O-])C[*:1] CCN(C[*:1])C(=O)[C@@H]1C=C[C@@H]([NH3+])C1
Cc1ccc(C[NH2+][C@H](C)c2nccs2)c(OCC(F)(F)F)c1 c1csc(n1)[*:1] Cc1ccc(C[NH2+][C@H](C)[*:1])c(c1)OCC(F)(F)F
Cc1ccc(C[NH2+][C@H](C)c2nccs2)c(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] Cc1ccc(C[NH2+][C@H](C)c2nccs2)c(c1)[*:1]
Cc1ccc(C[NH2+][C@H](C)c2nccs2)c(OCC(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(C[NH2+][C@H](C)c2nccs2)c(c1)OC[*:1]
Cc1ccc(C[NH2+][C@H](C)c2nccs2)c(OCC(F)(F)F)c1 FC(F)(F)C[*:1] Cc1ccc(C[NH2+][C@H](C)c2nccs2)c(c1)O[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1 [O-][n+]1ccc(cc1)[*:1] CCN(CC)C(=O)Cc1ccc(cc1)NC(=O)[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1 CCN(CC)C(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc[n+]([O-])cc1
CCN(CC)C(=O)Cc1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1 CCN(CC)C(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cc[n+]([O-])cc1
CN(Cc1cnccn1)C(=O)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(Cc1cnccn1)C(=O)N[C@@H]1CCC[C@@H]1[*:1]
CN(Cc1cnccn1)C(=O)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 c1cnc(cn1)C[*:1] CN(C(=O)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1)[*:1]
CN(Cc1cnccn1)C(=O)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 c1cnc(cn1)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCC[C@H]1c1ccc(Cl)cc1
Cc1n[nH]c2cc(NC(=O)c3coc(S(=O)(=O)N(C)C)c3)ccc12 CN(C)S(=O)(=O)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)c1coc(c1)[*:1]
CC1(C)C[C@]2(CCO1)OC(=O)C[C@H]2C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] CC1(C)C[C@]2(CCO1)OC(=O)C[C@H]2C(=O)N[*:1]
O=C1CCCCN1CN(Cc1ccccc1)C[C@@H](O)c1ccco1 c1coc(c1)[*:1] O=C1CCCCN1CN(Cc1ccccc1)C[C@@H](O)[*:1]
O=C1CCCCN1CN(Cc1ccccc1)C[C@@H](O)c1ccco1 O=C1CCCCN1C[*:1] O[C@H](CN(Cc1ccccc1)[*:1])c1ccco1
O=C1CCCCN1CN(Cc1ccccc1)C[C@@H](O)c1ccco1 c1ccc(cc1)[*:1] O=C1CCCCN1CN(C[C@@H](O)c1ccco1)C[*:1]
O=C1CCCCN1CN(Cc1ccccc1)C[C@@H](O)c1ccco1 O=C1CCCCN1[*:1] O[C@H](CN(Cc1ccccc1)C[*:1])c1ccco1
O=C1CCCCN1CN(Cc1ccccc1)C[C@@H](O)c1ccco1 c1ccc(cc1)C[*:1] O=C1CCCCN1CN(C[C@@H](O)c1ccco1)[*:1]
COc1ccc(CCNCc2csc(Br)c2)cc1OC Brc1cc(cs1)[*:1] COc1ccc(cc1OC)CCNC[*:1]
Cn1cnc(CNC(=O)Nc2ccc3ccn(C)c3c2)n1 Cn1cnc(n1)[*:1] Cn1ccc2ccc(cc21)NC(=O)NC[*:1]
Cn1cnc(CNC(=O)Nc2ccc3ccn(C)c3c2)n1 Cn1cnc(C[*:1])n1 Cn1ccc2ccc(cc21)NC(=O)N[*:1]
O=C(CCc1cc(Cl)cs1)NC[C@H]1CCC[C@H]1O Clc1csc(c1)[*:1] O=C(CC[*:1])NC[C@H]1CCC[C@H]1O
O=C(CCc1cc(Cl)cs1)NC[C@H]1CCC[C@H]1O O[C@@H]1CCC[C@@H]1[*:1] O=C(CCc1cc(Cl)cs1)NC[*:1]
CCc1c(C)nc2n(c1=O)[C@H](CC(=O)N1CCN(c3ccc(F)cc3)CC1)CS2 Fc1ccc(cc1)[*:1] CCc1c(C)nc2SC[C@@H](CC(=O)N3CCN(CC3)[*:1])n2c1=O
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1(c2ccc(F)cc2F)CC1 O=[N+]([O-])[*:1] O=C(Cn1cc(ccc1=O)[*:1])NCC1(CC1)c1ccc(F)cc1F
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1(c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] O=C(Cn1cc(ccc1=O)[N+](=O)[O-])NCC1(CC1)[*:1]
CCN(CC)C(=O)[C@H](C)S(=O)(=O)[C@@H](C)c1c(F)cccc1F CCN(CC)C(=O)[*:1] C[C@@H](c1c(F)cccc1F)S(=O)(=O)[C@@H](C)[*:1]
O=C(N1CCN=C1SCc1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 Fc1cccc(c1)C[*:1] O=C(N1CCN=C1S[*:1])C12CC3CC(CC(C3)C1)C2
O=C(N1CCN=C1SCc1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 Fc1cccc(c1)[*:1] O=C(N1CCN=C1SC[*:1])C12CC3CC(CC(C3)C1)C2
C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 C=CC[*:1] C=CCN(C(=O)c1cccc(c1)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)[*:1]
Cc1c(Cl)cccc1NC(=O)c1cccc(-c2nnnn2C)c1 Cn1nnnc1[*:1] Cc1c(Cl)cccc1NC(=O)c1cccc(c1)[*:1]
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)C(=S)Nc1ccccc1)OCCO3 c1coc(c1)C[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1CN(C(=S)Nc1ccccc1)[*:1]
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)C(=S)Nc1ccccc1)OCCO3 c1ccc(cc1)[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1CN(Cc1ccco1)C(=S)N[*:1]
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)C(=S)Nc1ccccc1)OCCO3 c1coc(c1)[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1CN(C[*:1])C(=S)Nc1ccccc1
COC(=O)Cc1ccc(Oc2c(N)cccc2Cl)cc1 COC(=O)[*:1] Nc1cccc(Cl)c1Oc1ccc(cc1)C[*:1]
COC(=O)Cc1ccc(Oc2c(N)cccc2Cl)cc1 COC(=O)C[*:1] Nc1cccc(Cl)c1Oc1ccc(cc1)[*:1]
CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC/C(Cl)=C/Cl)c1 CC(C)[*:1] O=[N+]([O-])c1ccc(cc1OC/C(Cl)=C/Cl)C[NH2+][*:1]
CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC/C(Cl)=C/Cl)c1 Cl/C=C(\Cl)[*:1] CC(C)[NH2+]Cc1ccc(c(c1)OC[*:1])[N+](=O)[O-]
CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC/C(Cl)=C/Cl)c1 O=[N+]([O-])[*:1] CC(C)[NH2+]Cc1ccc(c(c1)OC/C(Cl)=C/Cl)[*:1]
CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC/C(Cl)=C/Cl)c1 Cl/C=C(\Cl)CO[*:1] CC(C)[NH2+]Cc1ccc(c(c1)[*:1])[N+](=O)[O-]
CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC/C(Cl)=C/Cl)c1 Cl/C=C(\Cl)C[*:1] CC(C)[NH2+]Cc1ccc(c(c1)O[*:1])[N+](=O)[O-]
CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC/C(Cl)=C/Cl)c1 CC(C)[NH2+]C[*:1] O=[N+]([O-])c1ccc(cc1OC/C(Cl)=C/Cl)[*:1]
Cc1sc2ncn(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)c(=O)c2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc2ncn(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)c(=O)c2c1[*:1]
CSc1ccc(-c2ccnc3nc(N4C[C@H](C)C[C@@H](C)C4)[nH]c(=O)c23)cc1 CSc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1nc2nccc(c2c(=O)[nH]1)[*:1]
CCO[C@H](CC[NH+]1CCCC1)n1nnc2ccccc21 CCO[*:1] c1ccc2c(c1)nnn2[C@@H](CC[NH+]1CCCC1)[*:1]
CS(=O)(=O)N1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)[NH2+][C@H](Cn1cc[nH+]c1)[*:1]
Cn1c(N2CCN(C(=O)C3CCCCC3)CC2)nc2sc3c(c2c1=O)CCCC3 C1CCC(CC1)[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)N1CCN(CC1)C(=O)[*:1]
CC(C)[C@@](C)(O)CNC(=O)c1c(O)cc(Cl)cc1Cl CC(C)[*:1] C[C@@](O)(CNC(=O)c1c(O)cc(Cl)cc1Cl)[*:1]
CC(C)[C@@](C)(O)CNC(=O)c1c(O)cc(Cl)cc1Cl CC(C)[C@@](C)(O)[*:1] O=C(NC[*:1])c1c(O)cc(Cl)cc1Cl
CCn1nc(C)c(C[NH+](C)Cc2ccoc2C)c1C Cc1occc1[*:1] CCn1nc(C)c(C[NH+](C)C[*:1])c1C
Cc1c(C)n(Cc2ccccn2)c2[nH+]c3c(c(N)c12)CCCCCC3 c1ccc(C[*:1])nc1 Cc1c(C)n(c2[nH+]c3CCCCCCc3c(N)c12)[*:1]
Cc1c(C)n(Cc2ccccn2)c2[nH+]c3c(c(N)c12)CCCCCC3 c1ccc(nc1)[*:1] Cc1c(C)n(C[*:1])c2[nH+]c3CCCCCCc3c(N)c12
Cc1ccccc1C(=O)NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccccc1C(=O)NNC(=O)COc1ccc(cc1)[*:1]
Cc1ccccc1C(=O)NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 Cc1ccccc1[*:1] N#Cc1ccc(cc1)-c1ccc(cc1)OCC(=O)NNC(=O)[*:1]
CSc1ccsc1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl CSc1ccsc1[*:1] O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[*:1]
Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)N4CCCC[C@@H]4C)c(C)c32)cc1 Cc1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NS(=O)(=O)[*:1])c21)C(=O)N1CCCC[C@@H]1C
COc1ccc(CCNC(=O)c2nnc3n(c2=O)CCN3c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CCNC(=O)c1nnc2N(CCn2c1=O)[*:1]
COc1ccc(CCNC(=O)c2nnc3n(c2=O)CCN3c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])c1nnc2N(CCn2c1=O)c1ccc(F)cc1
COc1ccc(CCNC(=O)c2nnc3n(c2=O)CCN3c2ccc(F)cc2)cc1 COc1ccc(cc1)CC[*:1] O=C(N[*:1])c1nnc2N(CCn2c1=O)c1ccc(F)cc1
COc1ccc(CCNC(=O)c2nnc3n(c2=O)CCN3c2ccc(F)cc2)cc1 COc1ccc(cc1)C[*:1] O=C(NC[*:1])c1nnc2N(CCn2c1=O)c1ccc(F)cc1
CC(=O)N[C@H](/C([O-])=N/S(=O)(=O)c1ccc(C)cc1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@H](/C([O-])=N/S(=O)(=O)c1ccc(C)cc1)[*:1]
CC(=O)N[C@H](/C([O-])=N/S(=O)(=O)c1ccc(C)cc1)C1CCCC1 CC(=O)N[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])[C@H](C1CCCC1)[*:1]
CC(=O)N[C@H](/C([O-])=N/S(=O)(=O)c1ccc(C)cc1)C1CCCC1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](/C([O-])=N/S(=O)(=O)[*:1])C1CCCC1
CCc1nn(C)c(OC)c1CNC(=O)CCc1ccccc1C Cc1ccccc1[*:1] CCc1nn(C)c(OC)c1CNC(=O)CC[*:1]
C[C@H](N[C@H](Cc1ccccc1)C1CC1)c1ccco1 c1coc(c1)[*:1] C[C@H](N[C@H](Cc1ccccc1)C1CC1)[*:1]
C[C@H](N[C@H](Cc1ccccc1)C1CC1)c1ccco1 c1ccc(cc1)[*:1] C[C@H](N[C@H](C[*:1])C1CC1)c1ccco1
C[C@H](N[C@H](Cc1ccccc1)C1CC1)c1ccco1 C1CC1[*:1] C[C@H](N[C@H](Cc1ccccc1)[*:1])c1ccco1
COc1ccc(-c2ccc(C[NH+](C)CC(C)(C)O)o2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(-c2ccc(C[NH+](C)CC(C)(C)O)o2)c(c1)[*:1]
COc1ccc(-c2ccc(C[NH+](C)CC(C)(C)O)o2)c([N+](=O)[O-])c1 CC(C)(O)[*:1] COc1ccc(-c2ccc(C[NH+](C)C[*:1])o2)c(c1)[N+](=O)[O-]
Cc1ccc(S/C(Cl)=C(\C#N)NC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S/C(Cl)=C(\C#N)NC(=O)[*:1]
Cc1ccc(S/C(Cl)=C(\C#N)NC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N/C(C#N)=C(\Cl)S[*:1]
O=C(CS(=O)(=O)C[C@@H]1CCCO1)N1CCC(c2ccccc2)=N1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)C[C@@H]1CCCO1)N1CCC(=N1)[*:1]
Cc1cc(C)cc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C(=O)C3=O)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])N1CCC(CC1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O
Cc1cc(C)cc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C(=O)C3=O)CC2)c1 Fc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)N1CCC(CC1)N1CCN(C(=O)C1=O)[*:1]
Cc1cc(C)cc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C(=O)C3=O)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)N1CCC(CC1)N1CCN(C[*:1])C(=O)C1=O
O=C(CCc1cccs1)NNC(=O)c1ccc(Cl)nc1 c1csc(c1)[*:1] O=C(CC[*:1])NNC(=O)c1ccc(Cl)nc1
O=C(CCc1cccs1)NNC(=O)c1ccc(Cl)nc1 c1csc(c1)C[*:1] O=C(C[*:1])NNC(=O)c1ccc(Cl)nc1
Cc1ccc(O)c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1ccc(O)c(c1)S(=O)(=O)Nc1ccc(Cl)c(c1)[*:1]
CCOc1ccc(F)c(C(=O)N[C@@H]2CCC[C@H](SCC)C2)c1F CCO[*:1] CCS[C@H]1CCC[C@H](C1)NC(=O)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)N[C@@H]2CCC[C@H](SCC)C2)c1F CCS[*:1] CCOc1ccc(F)c(C(=O)N[C@@H]2CCC[C@H](C2)[*:1])c1F
Cc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc23)c(C)c1 CC(C)[*:1] Cc1ccc(c(C)c1)-n1c(=O)c2ccccc2n2c(nnc12)SCC(=O)N[C@@](C)(C#N)[*:1]
Cc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)[C@](C)(C#N)NC(=O)CSc1nnc2n(c(=O)c3ccccc3n12)[*:1]
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1ccccc1Cl Clc1ccccc1[*:1] O=[N+]([O-])c1ccc2C(=NS(=O)(=O)c2c1)N[*:1]
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1ccccc1Cl O=[N+]([O-])[*:1] O=S1(=O)N=C(Nc2ccccc2Cl)c2ccc(cc21)[*:1]
CC1=NC(=O)[C@H](CC(=O)[O-])CS1 O=C([O-])[*:1] CC1=NC(=O)[C@@H](CS1)C[*:1]
CC1=NC(=O)[C@H](CC(=O)[O-])CS1 O=C([O-])C[*:1] CC1=NC(=O)[C@H](CS1)[*:1]
C[C@@H](Cn1cccn1)NC(=O)N[C@@H](C)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](Cn1cccn1)NC(=O)N[C@@H](C)[*:1]
C[C@@H](Cn1cccn1)NC(=O)N[C@@H](C)c1cccnc1 c1cnn(c1)[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H](C)c1cccnc1
C[C@@H](Cn1cccn1)NC(=O)N[C@@H](C)c1cccnc1 c1cnn(c1)C[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])c1cccnc1
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@@H]1CCn1cccn1 c1cnn(c1)CC[*:1] O=C(c1n[nH]c2CCCc12)N1CCCC[C@H]1[*:1]
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@@H]1CCn1cccn1 c1cnn(c1)C[*:1] O=C(c1n[nH]c2CCCc12)N1CCCC[C@@H]1C[*:1]
O=C(c1n[nH]c2c1CCC2)N1CCCC[C@@H]1CCn1cccn1 c1cnn(c1)[*:1] O=C(c1n[nH]c2CCCc12)N1CCCC[C@@H]1CC[*:1]
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1ncn[nH]1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1ncn[nH]1)[*:1]
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1ncn[nH]1)c1ccccc1 c1n[nH]c(n1)[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](S[*:1])c1ccccc1
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1ncn[nH]1)c1ccccc1 Clc1cc(Cl)cc(c1)[*:1] O=C(N[*:1])[C@H](Sc1ncn[nH]1)c1ccccc1
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1ncn[nH]1)c1ccccc1 c1n[nH]c(n1)S[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)[*:1]
N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1cccc(CNC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)c1 FC(F)(F)[*:1] COc1cccc(c1)CNC(=O)C(=O)c1c(C)nn(-c2cccc(c2)[*:1])c1C
COc1cccc(CNC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)c1 FC(F)(F)c1cccc(c1)[*:1] COc1cccc(c1)CNC(=O)C(=O)c1c(C)nn(c1C)[*:1]
COc1cccc(CNC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)c1 COc1cccc(c1)[*:1] Cc1nn(-c2cccc(c2)C(F)(F)F)c(C)c1C(=O)C(=O)NC[*:1]
COc1cccc(CNC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)c1 COc1cccc(c1)C[*:1] Cc1nn(-c2cccc(c2)C(F)(F)F)c(C)c1C(=O)C(=O)N[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC2CC[NH+](C3CC3)CC2)n1 Cc1cc(F)ccc1[*:1] O=C(NC1CC[NH+](CC1)C1CC1)c1nn(cc1[O-])[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC2CC[NH+](C3CC3)CC2)n1 C1CC1[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)NC1CC[NH+](CC1)[*:1]
O=c1c2c3c(sc2ncn1CCCc1ccncc1)C[C@@H](NCc1cc(F)c(F)c(F)c1)CC3 c1cc(ccn1)[*:1] O=c1c2c3CC[C@@H](Cc3sc2ncn1CCC[*:1])NCc1cc(F)c(F)c(F)c1
O=c1c2c3c(sc2ncn1CCCc1ccncc1)C[C@@H](NCc1cc(F)c(F)c(F)c1)CC3 Fc1cc(cc(F)c1F)[*:1] O=c1c2c3CC[C@@H](Cc3sc2ncn1CCCc1ccncc1)NC[*:1]
O=c1c2c3c(sc2ncn1CCCc1ccncc1)C[C@@H](NCc1cc(F)c(F)c(F)c1)CC3 c1cc(ccn1)CC[*:1] O=c1c2c3CC[C@@H](Cc3sc2ncn1C[*:1])NCc1cc(F)c(F)c(F)c1
O=c1c2c3c(sc2ncn1CCCc1ccncc1)C[C@@H](NCc1cc(F)c(F)c(F)c1)CC3 c1cc(ccn1)CCC[*:1] O=c1c2c3CC[C@@H](Cc3sc2ncn1[*:1])NCc1cc(F)c(F)c(F)c1
O=c1c2c3c(sc2ncn1CCCc1ccncc1)C[C@@H](NCc1cc(F)c(F)c(F)c1)CC3 Fc1cc(cc(F)c1F)CN[*:1] O=c1c2c3CC[C@H](Cc3sc2ncn1CCCc1ccncc1)[*:1]
O=c1c2c3c(sc2ncn1CCCc1ccncc1)C[C@@H](NCc1cc(F)c(F)c(F)c1)CC3 Fc1cc(cc(F)c1F)C[*:1] O=c1c2c3CC[C@@H](Cc3sc2ncn1CCCc1ccncc1)N[*:1]
O=c1c2c3c(sc2ncn1CCCc1ccncc1)C[C@@H](NCc1cc(F)c(F)c(F)c1)CC3 c1cc(ccn1)C[*:1] O=c1c2c3CC[C@@H](Cc3sc2ncn1CC[*:1])NCc1cc(F)c(F)c(F)c1
CC[C@H](C(=O)N[C@H](C)CCC[NH3+])c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N[C@H](C)CCC[NH3+])[*:1]
Cc1ccc(/C=C/CC(=O)N[C@H](CO)CC(C)(C)C)cc1 CC(C)(C)C[*:1] Cc1ccc(/C=C/CC(=O)N[C@H](CO)[*:1])cc1
Cc1ccc(/C=C/CC(=O)N[C@H](CO)CC(C)(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)C[C@@H](CO)NC(=O)CC=C[*:1]
Cc1ccc(/C=C/CC(=O)N[C@H](CO)CC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(/C=C/CC(=O)N[C@H](CO)C[*:1])cc1
Cn1nnnc1-c1cccc(C(=O)NCCc2ccccc2)c1 c1ccc(cc1)[*:1] Cn1nnnc1-c1cccc(c1)C(=O)NCC[*:1]
Cn1nnnc1-c1cccc(C(=O)NCCc2ccccc2)c1 Cn1nnnc1[*:1] O=C(NCCc1ccccc1)c1cccc(c1)[*:1]
Cn1nnnc1-c1cccc(C(=O)NCCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cn1nnnc1-c1cccc(c1)C(=O)NC[*:1]
O=C(Cn1cnnn1)N1CC[C@H](CSc2ccccc2)C1 c1ccc(cc1)S[*:1] O=C(Cn1cnnn1)N1CC[C@@H](C1)C[*:1]
O=C(Cn1cnnn1)N1CC[C@H](CSc2ccccc2)C1 c1nnnn1C[*:1] O=C(N1CC[C@H](CSc2ccccc2)C1)[*:1]
O=C(Cn1cnnn1)N1CC[C@H](CSc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Cn1cnnn1)N1CC[C@H](CS[*:1])C1
O=C(Cn1cnnn1)N1CC[C@H](CSc2ccccc2)C1 c1nnnn1[*:1] O=C(C[*:1])N1CC[C@H](CSc2ccccc2)C1
CCO[C@H]1C[C@H](NC(=O)Nc2cccnc2-n2cncn2)C12CCCCC2 CCO[*:1] O=C(Nc1cccnc1-n1cncn1)N[C@H]1C[C@@H](C12CCCCC2)[*:1]
CCO[C@H]1C[C@H](NC(=O)Nc2cccnc2-n2cncn2)C12CCCCC2 c1ncn(n1)[*:1] CCO[C@H]1C[C@H](NC(=O)Nc2cccnc2[*:1])C12CCCCC2
CCO/C=C1\SC(=O)NC1=S CCO[*:1] O=C1NC(=S)C(=C[*:1])S1
COc1ccc(C2=NO[C@H](COC(=O)c3ccc(Br)cc3)C2)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)C1C[C@@H](COC(=O)[*:1])ON=1
O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 Clc1ccc(OC[*:1])c(Cl)c1 O=C(CCc1c[nH]c2ccccc12)N1CCN(CC1)C(=O)[*:1]
O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)COc1ccc(Cl)cc1Cl
O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(CCc1c[nH]c2ccccc12)N1CCN(CC1)C(=O)CO[*:1]
O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(COc1ccc(Cl)cc1Cl)N1CCN(CC1)C(=O)C[*:1]
O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 Clc1ccc(O[*:1])c(Cl)c1 O=C(CCc1c[nH]c2ccccc12)N1CCN(CC1)C(=O)C[*:1]
CSc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccccc2F)cc1 CSc1ccc(cc1)[*:1] O=C(c1ccccc1F)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1[*:1]
CSc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] CSc1ccc(cc1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
O=[N+]([O-])c1cccnc1Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccnc1Sc1ncc(n1C[C@@H]1CCCO1)[*:1]
O=[N+]([O-])c1cccnc1Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 O=[N+]([O-])c1cccnc1[*:1] c1ccc(cc1)-c1cnc(S[*:1])n1C[C@@H]1CCCO1
O=[N+]([O-])c1cccnc1Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 O=[N+]([O-])[*:1] c1ccc(cc1)-c1cnc(Sc2ncccc2[*:1])n1C[C@@H]1CCCO1
O=C([C@H]1Cc2[nH+]c[nH]c2CN1)N(Cc1ccsc1)C1CC1 C1CC1[*:1] O=C([C@H]1Cc2[nH+]c[nH]c2CN1)N(Cc1ccsc1)[*:1]
O=C([C@H]1Cc2[nH+]c[nH]c2CN1)N(Cc1ccsc1)C1CC1 c1cc(cs1)C[*:1] O=C([C@H]1Cc2[nH+]c[nH]c2CN1)N(C1CC1)[*:1]
O=C([C@H]1Cc2[nH+]c[nH]c2CN1)N(Cc1ccsc1)C1CC1 c1cc(cs1)[*:1] O=C([C@H]1Cc2[nH+]c[nH]c2CN1)N(C[*:1])C1CC1
Cl[C@@H](CC[C@H]1CCOC2(CCSCC2)C1)c1ccccc1 c1ccc(cc1)[*:1] Cl[C@@H](CC[C@H]1CCOC2(CCSCC2)C1)[*:1]
Cc1cnc([C@@H](NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)C2CC2)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)N[C@@H](C1CC1)[*:1])C(=O)NC(C)(C)C
Cc1cnc([C@@H](NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)C2CC2)s1 CC(C)(C)NC(=O)[*:1] Cc1cnc(s1)[C@@H](NC(=O)N[C@@H](C)[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)C2CC2)s1 CC(C)(C)[*:1] Cc1cnc(s1)[C@@H](NC(=O)N[C@@H](C)C(=O)N[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1NC[*:1]
CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N[*:1]
CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)CN[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1[*:1]
CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(F)cc2)cc1 CC(=O)N[*:1] O=S1(=O)C[C@H](NCc2ccc(F)cc2)[C@H](C1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(OCC(=O)NCCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1ccc(OCC(=O)NCCc2ccc(Cl)cc2Cl)c(n1)[*:1]
Cc1ccc(OCC(=O)NCCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 Clc1ccc(c(Cl)c1)[*:1] Cc1ccc(OCC(=O)NCC[*:1])c(n1)[N+](=O)[O-]
Cc1ccccc1-n1ccnc1S(=O)(=O)Cc1cccc(C(N)=O)c1 Cc1ccccc1[*:1] NC(=O)c1cccc(c1)CS(=O)(=O)c1nccn1[*:1]
Cc1ccccc1-n1ccnc1S(=O)(=O)Cc1cccc(C(N)=O)c1 NC(=O)[*:1] Cc1ccccc1-n1ccnc1S(=O)(=O)Cc1cccc(c1)[*:1]
CC(C)c1nc(/N=C(\[O-])[C@H]2SCCc3sccc32)n(C)n1 CC(C)[*:1] Cn1nc(nc1/N=C(\[O-])[C@H]1SCCc2sccc21)[*:1]
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1 CC(=O)[*:1] CC(=O)C1=C(C[C@](C)(O)[C@@H]([C@@H]1c1ccccc1)[*:1])Nc1ccc(C)cc1
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1 CC(=O)[*:1] CC(=O)[C@H]1[C@@H](C(=C(C[C@]1(C)O)Nc1ccc(C)cc1)[*:1])c1ccccc1
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)C1=C(C[C@](C)(O)[C@@H](C(C)=O)[C@H]1[*:1])Nc1ccc(C)cc1
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1 Cc1ccc(cc1)N[*:1] CC(=O)C1=C(C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1)[*:1]
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1 Cc1ccc(cc1)[*:1] CC(=O)C1=C(C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1)N[*:1]
Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1nc(cs1)C[NH+]1CCN(CC1)c1cccc(c1)C(F)(F)F)N[*:1]
Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)Cc1nc(cs1)C[NH+]1CCN(CC1)[*:1]
Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 Cc1ccc(cc1)NC(=O)[*:1] FC(F)(F)c1cccc(c1)N1CC[NH+](CC1)Cc1csc(C[*:1])n1
Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC(=O)Cc1nc(cs1)C[NH+]1CCN(CC1)c1cccc(c1)[*:1]
Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 Cc1ccc(cc1)NC(=O)C[*:1] FC(F)(F)c1cccc(c1)N1CC[NH+](CC1)Cc1csc(n1)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)CN1CCC([NH3+])CC1 CC(C)[*:1] C[C@H]1CC[C@@H]([C@@H](C1)NC(=O)CN1CCC([NH3+])CC1)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)CN1CCC([NH3+])CC1 [NH3+]C1CCN(CC1)[*:1] CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)C[*:1]
c1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2CCSc3ccccc32)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)SCC[C@H]2[NH2+][C@@H](C[C@H]1CCOC1)[*:1]
c1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2CCSc3ccccc32)cc1 C1C[C@@H](CO1)[*:1] c1ccc(cc1)[C@H](C[*:1])[NH2+][C@@H]1CCSc2ccccc21
CCN1C(=O)c2ccccc2Sc2cc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)ccc21 O=C(N[*:1])c1ccco1 CCN1C(=O)c2ccccc2Sc2cc(ccc21)NC(=O)c1cccc(c1)[*:1]
CCN1C(=O)c2ccccc2Sc2cc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)ccc21 c1coc(c1)[*:1] CCN1C(=O)c2ccccc2Sc2cc(ccc21)NC(=O)c1cccc(c1)NC(=O)[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CC[C@@H](C)[C@H](O)C1 Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)N1CC[C@@H](C)[C@H](O)C1)[*:1]
CCCC[C@H](C[C@H](C)CC)[NH2+]C CC[C@@H](C)[*:1] CCCC[C@H](C[*:1])[NH2+]C
CCCC[C@H](C[C@H](C)CC)[NH2+]C CCCC[*:1] CC[C@@H](C)C[C@H]([NH2+]C)[*:1]
CCCC[C@H](C[C@H](C)CC)[NH2+]C CCC[*:1] CC[C@@H](C)C[C@@H](C[*:1])[NH2+]C
CCOc1ccccc1-n1nnc(-c2nc(-c3ccccc3F)no2)c1N CCOc1ccccc1[*:1] Nc1c(nnn1[*:1])-c1nc(no1)-c1ccccc1F
CCOc1ccccc1-n1nnc(-c2nc(-c3ccccc3F)no2)c1N CCO[*:1] Nc1c(nnn1-c1ccccc1[*:1])-c1nc(no1)-c1ccccc1F
CCOc1ccccc1-n1nnc(-c2nc(-c3ccccc3F)no2)c1N Fc1ccccc1[*:1] CCOc1ccccc1-n1nnc(-c2nc(no2)[*:1])c1N
CC(=O)N1CCC(CCC(=O)NC2(C(N)=O)CCCCC2)CC1 NC(=O)[*:1] CC(=O)N1CCC(CCC(=O)NC2(CCCCC2)[*:1])CC1
CC(C)c1nc(CN(C)C(=O)c2nc([O-])nc3ccccc23)no1 CC(C)[*:1] CN(Cc1noc(n1)[*:1])C(=O)c1nc([O-])nc2ccccc12
CC(C)c1nc(CN(C)C(=O)c2nc([O-])nc3ccccc23)no1 CC(C)c1nc(no1)[*:1] CN(C[*:1])C(=O)c1nc([O-])nc2ccccc12
COc1ccc(NC(=O)CC#N)cc1F N#CC[*:1] COc1ccc(cc1F)NC(=O)[*:1]
C[C@H](Cc1ccccn1)NC(=O)[C@@H]1CC(=O)c2ccccc21 c1ccc(nc1)[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1CC(=O)c2ccccc21
C[C@H](Cc1ccccn1)NC(=O)[C@@H]1CC(=O)c2ccccc21 c1ccc(C[*:1])nc1 C[C@H](NC(=O)[C@@H]1CC(=O)c2ccccc21)[*:1]
CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4cccc(C)c4)n3)c(C)n2)CC1 Cc1cccc(c1)[*:1] CC[NH+]1CCN(CC1)c1ncc(-c2cc(=O)[nH]c(n2)N[*:1])c(C)n1
CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4cccc(C)c4)n3)c(C)n2)CC1 Cc1cccc(c1)N[*:1] CC[NH+]1CCN(CC1)c1ncc(-c2cc(=O)[nH]c(n2)[*:1])c(C)n1
c1nnc(CCNC2CC[NH+](C3CCCC3)CC2)n1C1CC1 C1CCC(C1)[*:1] c1nnc(CCNC2CC[NH+](CC2)[*:1])n1C1CC1
c1nnc(CCNC2CC[NH+](C3CCCC3)CC2)n1C1CC1 C1CC1[*:1] c1nnc(CCNC2CC[NH+](CC2)C2CCCC2)n1[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 COc1ccccc1[*:1] O=C(C=C[*:1])Nc1ccc(cc1)C(=O)NCc1ccco1
COc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] COc1ccccc1/C=C/C(=O)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] COc1ccccc1/C=C/C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] COc1ccccc1/C=C/C(=O)Nc1ccc(cc1)[*:1]
CC[C@](C)([NH3+])C(=O)N(C)[C@@H](C)c1cccs1 c1csc(c1)[*:1] CC[C@](C)([NH3+])C(=O)N(C)[C@@H](C)[*:1]
COC(=O)[C@@H](NC(=O)[C@H]1Oc2ccccc2[C@H]1C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC(=O)[C@@H](NC(=O)[C@H]1Oc2ccccc2[C@H]1C)[*:1]
COC(=O)[C@@H](NC(=O)[C@H]1Oc2ccccc2[C@H]1C)c1ccc(F)c(F)c1 COC(=O)[*:1] C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)-c1nc(no1)-c1cccc(c1)[*:1]
COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1 FC(F)(F)c1cccc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)-c1nc(no1)[*:1]
COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(Cc1ccc(o1)-c1nc(no1)-c1cccc(c1)C(F)(F)F)[*:1]
CN(Cc1csc2ccccc12)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] CN(Cc1csc2ccccc12)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CN(Cc1csc2ccccc12)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] CN(Cc1csc2ccccc12)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)c1cccc(NC(=O)c2cc(F)cc(F)c2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(F)cc(F)c1
COC1CC[NH+](CCNC(=O)NC2CCC(O)CC2)CC1 OC1CCC(CC1)[*:1] COC1CC[NH+](CCNC(=O)N[*:1])CC1
COc1ccccc1-n1c(SCC(=O)N2CCCC[C@H]2C)nc2sc3c(c2c1=O)CCCC3 COc1ccccc1[*:1] C[C@@H]1CCCCN1C(=O)CSc1nc2sc3CCCCc3c2c(=O)n1[*:1]
COc1ccc([C@@H](C)N(C)C(=O)NCCNC(=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)NCCNC(=O)c1ccccc1)[*:1]
COc1ccc([C@@H](C)N(C)C(=O)NCCNC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](C)N(C)C(=O)NCCNC(=O)[*:1]
Cc1cc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)n(Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)n(C[*:1])n1
Cc1cc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)n(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)n(n1)[*:1]
CCC(CC)[C@@H]1C[NH+]=C(N)N1c1cccc(C)c1 CCC(CC)[*:1] Cc1cccc(c1)N1C(N)=[NH+]C[C@H]1[*:1]
CCc1cccc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)c1 CN(C)[*:1] CCc1cccc(c1)OC1CN(C1)C(=O)c1cccc(c1)[*:1]
CCc1cccc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)c1 CCc1cccc(c1)[*:1] CN(C)c1cccc(c1)C(=O)N1CC(C1)O[*:1]
COc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=[NH+]\c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccccc1NC(=O)c1cc2c(cnc(C)c2o/c1=[NH+]\c1cccc(c1)[*:1])CO
COc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=[NH+]\c1cccc(C(F)(F)F)c1 COc1ccccc1NC(=O)[*:1] Cc1ncc(CO)c2cc(/c(=[NH+]/c3cccc(c3)C(F)(F)F)oc12)[*:1]
COc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=[NH+]\c1cccc(C(F)(F)F)c1 COc1ccccc1[*:1] Cc1ncc(CO)c2cc(C(=O)N[*:1])/c(=[NH+]/c3cccc(c3)C(F)(F)F)oc12
CCCC[C@@H]1CCC[C@@H]1NC(=O)CCn1c(=S)[nH]c2ccccc2c1=O CCCC[*:1] O=C(CCn1c(=S)[nH]c2ccccc2c1=O)N[C@H]1CCC[C@H]1[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)CCn1c(=S)[nH]c2ccccc2c1=O CCC[*:1] O=C(CCn1c(=S)[nH]c2ccccc2c1=O)N[C@H]1CCC[C@H]1C[*:1]
O=C(c1sc2cccc(F)c2c1Cl)N1CCCO[C@@H](Cn2cccn2)C1 c1cnn(c1)[*:1] O=C(c1sc2cccc(F)c2c1Cl)N1CCCO[C@H](C1)C[*:1]
O=C(c1sc2cccc(F)c2c1Cl)N1CCCO[C@@H](Cn2cccn2)C1 c1cnn(c1)C[*:1] O=C(c1sc2cccc(F)c2c1Cl)N1CCCO[C@@H](C1)[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 COc1ccc(cc1)[*:1] O=C1C[C@@H](CC2Nc3ccccc3N[C@H](C=21)c1ccc(O)cc1)[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2[*:1]
COc1ccc(-c2c(C)nn3c(N4CCC(C(=O)NC5CCCC5)CC4)cc(C)nc23)cc1OC O=C(NC1CCCC1)[*:1] COc1ccc(cc1OC)-c1c(C)nn2c(cc(C)nc12)N1CCC(CC1)[*:1]
COc1ccc(-c2c(C)nn3c(N4CCC(C(=O)NC5CCCC5)CC4)cc(C)nc23)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(N2CCC(CC2)C(=O)NC2CCCC2)n2nc(C)c(c2n1)[*:1]
COc1ccc(-c2c(C)nn3c(N4CCC(C(=O)NC5CCCC5)CC4)cc(C)nc23)cc1OC C1CCC(C1)[*:1] COc1ccc(cc1OC)-c1c(C)nn2c(cc(C)nc12)N1CCC(CC1)C(=O)N[*:1]
C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCO2 N#Cc1cccc(c1)[*:1] C[C@H]([NH2+][C@H](C)C(=O)N[*:1])c1ccc2OCOc2c1
CCOCC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC)c2)CC1 CNS(=O)(=O)[*:1] CCOCC1CCN(CC1)C(=O)c1ccc(F)c(c1)[*:1]
CCOCC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC)c2)CC1 CCO[*:1] CNS(=O)(=O)c1cc(ccc1F)C(=O)N1CCC(CC1)C[*:1]
CCOCC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC)c2)CC1 CCOC[*:1] CNS(=O)(=O)c1cc(ccc1F)C(=O)N1CCC(CC1)[*:1]
COCCN(C)C(=O)c1ccc(F)c(C)c1 COCC[*:1] Cc1cc(ccc1F)C(=O)N(C)[*:1]
COCCN(C)C(=O)c1ccc(F)c(C)c1 COC[*:1] Cc1cc(ccc1F)C(=O)N(C)C[*:1]
O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1C(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccccc1)N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1C(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1C(=O)[*:1])c1ccccc1
C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 c1ccc2O[C@H](COc2c1)[*:1] C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC(=O)NC[*:1])[NH+]1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1
C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)NC(=O)N[*:1])[NH+]1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1
CC(/C=C1\SC(=N)N(c2ccc(S(N)(=O)=O)cc2)C1=O)=C\c1ccccc1 c1ccc(cc1)[*:1] CC(/C=C1\SC(=N)N(C1=O)c1ccc(cc1)S(N)(=O)=O)=C[*:1]
CC(/C=C1\SC(=N)N(c2ccc(S(N)(=O)=O)cc2)C1=O)=C\c1ccccc1 NS(=O)(=O)[*:1] CC(/C=C1\SC(=N)N(C1=O)c1ccc(cc1)[*:1])=C\c1ccccc1
CC(/C=C1\SC(=N)N(c2ccc(S(N)(=O)=O)cc2)C1=O)=C\c1ccccc1 CC(=Cc1ccccc1)[*:1] N=C1SC(=C[*:1])C(=O)N1c1ccc(cc1)S(N)(=O)=O
CC(C)N(Cc1cccnc1)C(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] CC(C)N(Cc1cccnc1)C(=O)c1cccc(c1)[*:1]
CC(C)N(Cc1cccnc1)C(=O)c1cccc(-c2ccoc2)c1 c1cncc(c1)[*:1] CC(C)N(C[*:1])C(=O)c1cccc(c1)-c1ccoc1
CC(C)N(Cc1cccnc1)C(=O)c1cccc(-c2ccoc2)c1 CC(C)[*:1] O=C(c1cccc(c1)-c1ccoc1)N(Cc1cccnc1)[*:1]
CC(C)N(Cc1cccnc1)C(=O)c1cccc(-c2ccoc2)c1 c1cncc(c1)C[*:1] CC(C)N(C(=O)c1cccc(c1)-c1ccoc1)[*:1]
CCCCN(C)C(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O CCCC[*:1] CN(C(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)[*:1]
CCCCN(C)C(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O CCCCN(C)C(=O)C[*:1] O=c1c2nnn(Cc3ccc(Cl)cc3)c2ncn1[*:1]
CCCCN(C)C(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] CCCCN(C)C(=O)Cn1cnc2c(nnn2C[*:1])c1=O
CCCCN(C)C(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O CCC[*:1] CN(C[*:1])C(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O
CCCCN(C)C(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)C[*:1] CCCCN(C)C(=O)Cn1cnc2c(nnn2[*:1])c1=O
CCCCN(C)C(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O CCCCN(C)C(=O)[*:1] O=c1c2nnn(Cc3ccc(Cl)cc3)c2ncn1C[*:1]
CCCCNC(=O)[C@@H](C)Nc1ccc(F)cc1I CCCC[*:1] C[C@@H](Nc1ccc(F)cc1I)C(=O)N[*:1]
CCCCNC(=O)[C@@H](C)Nc1ccc(F)cc1I CCC[*:1] C[C@@H](Nc1ccc(F)cc1I)C(=O)NC[*:1]
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCCc3ccccc3)ccc2S1 c1ccc(cc1)[*:1] C[C@H]1CC(=O)Nc2cc(ccc2S1)S(=O)(=O)NCC[*:1]
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCCc3ccccc3)ccc2S1 c1ccc(cc1)CC[*:1] C[C@H]1CC(=O)Nc2cc(ccc2S1)S(=O)(=O)N[*:1]
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCCc3ccccc3)ccc2S1 c1ccc(cc1)C[*:1] C[C@H]1CC(=O)Nc2cc(ccc2S1)S(=O)(=O)NC[*:1]
c1ccc(-c2ncc(CNC[C@H]3CN(C4CC4)CCO3)cn2)cc1 C1CC1[*:1] c1ccc(cc1)-c1ncc(cn1)CNC[C@H]1CN(CCO1)[*:1]
c1ccc(-c2ncc(CNC[C@H]3CN(C4CC4)CCO3)cn2)cc1 c1ccc(cc1)[*:1] c1nc(ncc1CNC[C@H]1CN(CCO1)C1CC1)[*:1]
COc1ccc(-c2nnc(NC(=O)[C@H]3COc4ccccc4O3)o2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[*:1])[C@H]1COc2ccccc2O1
O=C([O-])C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C([O-])C1C[C@@H](N(N=1)c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C([O-])C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 O=[N+]([O-])[*:1] O=C([O-])C1C[C@@H](c2ccccc2)N(N=1)c1ccc(cc1)[*:1]
CCc1noc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)n1 CCc1noc(n1)[*:1] CN(C[*:1])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O
O=C([O-])CN(CC(F)(F)F)S(=O)(=O)c1cccc(F)c1 FC(F)(F)[*:1] O=C([O-])CN(C[*:1])S(=O)(=O)c1cccc(F)c1
O=C([O-])CN(CC(F)(F)F)S(=O)(=O)c1cccc(F)c1 FC(F)(F)C[*:1] O=C([O-])CN(S(=O)(=O)c1cccc(F)c1)[*:1]
O=C([O-])CN(CC(F)(F)F)S(=O)(=O)c1cccc(F)c1 O=C([O-])C[*:1] O=S(=O)(c1cccc(F)c1)N(CC(F)(F)F)[*:1]
O=C([O-])CN(CC(F)(F)F)S(=O)(=O)c1cccc(F)c1 O=C([O-])[*:1] O=S(=O)(c1cccc(F)c1)N(CC(F)(F)F)C[*:1]
COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2cccc([N+](=O)[O-])c2[n-]1 O=[N+]([O-])[*:1] COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2cccc(c2[n-]1)[*:1]
COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2cccc([N+](=O)[O-])c2[n-]1 COC(=O)[*:1] O=C(c1cc2cccc(c2[n-]1)[N+](=O)[O-])N1[C@H]2CCCC[C@H]2C[C@@H]1[*:1]
C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCc2ccco2)C1 c1coc(c1)[*:1] C[C@@H]1CCC[C@H](C1)[NH2+]CC(=O)NC[*:1]
C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCc2ccco2)C1 c1coc(c1)C[*:1] C[C@@H]1CCC[C@H](C1)[NH2+]CC(=O)N[*:1]
C[C@H]1CN(CC(=O)NCCc2ccc(OC(F)F)cc2)CCO1 FC(F)O[*:1] C[C@H]1CN(CCO1)CC(=O)NCCc1ccc(cc1)[*:1]
C[C@H]1CN(CC(=O)NCCc2ccc(OC(F)F)cc2)CCO1 FC(F)[*:1] C[C@H]1CN(CCO1)CC(=O)NCCc1ccc(cc1)O[*:1]
Cc1cccc(CN(C)S(=O)(=O)N2CCCC[C@@H]2CCl)n1 Cc1cccc(n1)[*:1] CN(C[*:1])S(=O)(=O)N1CCCC[C@@H]1CCl
N#CCSCCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 N#CCSCC[*:1] N#Cc1ccc(cc1)OC1CC[NH+](CC1)C[*:1]
N#CCSCCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 N#CC[*:1] N#Cc1ccc(cc1)OC1CC[NH+](CCCS[*:1])CC1
N#CCSCCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 N#CCS[*:1] N#Cc1ccc(cc1)OC1CC[NH+](CCC[*:1])CC1
N#CCSCCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 N#CCSC[*:1] N#Cc1ccc(cc1)OC1CC[NH+](CC1)CC[*:1]
CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1nc(C)cs1 Cc1csc(n1)[*:1] CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N[*:1]
CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Nc1nc(C)cs1 Clc1ccc(cc1)[*:1] CO[C@@H]([C@@H](C)NC(=O)Nc1nc(C)cs1)[*:1]
CC(C)(C)n1cc(C(=O)NCC2(C(N)=O)CCOCC2)cn1 NC(=O)[*:1] CC(C)(C)n1cc(cn1)C(=O)NCC1(CCOCC1)[*:1]
CC(C)(C)n1cc(C(=O)NCC2(C(N)=O)CCOCC2)cn1 CC(C)(C)[*:1] NC(=O)C1(CCOCC1)CNC(=O)c1cnn(c1)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)c1cnn(C2CCCCC2)c1 c1ccc(cc1)C[*:1] C[C@H](CCO)N(C(=O)c1cnn(c1)C1CCCCC1)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)c1cnn(C2CCCCC2)c1 OCC[*:1] C[C@H](N(Cc1ccccc1)C(=O)c1cnn(c1)C1CCCCC1)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)c1cnn(C2CCCCC2)c1 C1CCC(CC1)[*:1] C[C@H](CCO)N(Cc1ccccc1)C(=O)c1cnn(c1)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)c1cnn(C2CCCCC2)c1 c1ccc(cc1)[*:1] C[C@H](CCO)N(C[*:1])C(=O)c1cnn(c1)C1CCCCC1
CC(=O)Nc1nc(C(=O)OC[C@H]2CCCO2)cs1 CC(=O)N[*:1] O=C(OC[C@H]1CCCO1)c1csc(n1)[*:1]
CC(=O)Nc1nc(C(=O)OC[C@H]2CCCO2)cs1 C1CO[C@H](C1)C[*:1] CC(=O)Nc1nc(cs1)C(=O)O[*:1]
CC(=O)Nc1nc(C(=O)OC[C@H]2CCCO2)cs1 C1CO[C@H](C1)[*:1] CC(=O)Nc1nc(cs1)C(=O)OC[*:1]
CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)c1cn(nn1)[*:1]
COc1ccc(CCNC(=O)Cn2cnc3sc(C)cc3c2=O)cc1 COc1ccc(cc1)[*:1] Cc1cc2c(=O)n(cnc2s1)CC(=O)NCC[*:1]
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNC(=O)[*:1]
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNC(=O)c1ccccc1 Clc1ccccc1[*:1] Cc1cc(NC(=O)[*:1])sc1C(=O)NNC(=O)c1ccccc1
O=C(Cc1noc2ccccc12)Nc1ccnn1Cc1cccc(Cl)c1Cl Clc1cccc(C[*:1])c1Cl O=C(Cc1noc2ccccc12)Nc1ccnn1[*:1]
O=C(Cc1noc2ccccc12)Nc1ccnn1Cc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(Cc1noc2ccccc12)Nc1ccnn1C[*:1]
O=C(Cc1noc2ccccc12)Nc1ccnn1Cc1cccc(Cl)c1Cl c1ccc2c(noc2c1)[*:1] O=C(C[*:1])Nc1ccnn1Cc1cccc(Cl)c1Cl
Cc1cc(CN2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)on1 Cc1cc(on1)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)C(=O)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)on1 Cc1cc(C[*:1])on1 CC(C)(C)OC(=O)N1CC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)on1 CC(C)(C)[*:1] Cc1cc(CN2CCN(CC2)C(=O)[C@@H]2CCN(C2)C(=O)O[*:1])on1
N#CC1(C#N)C[C@@]1(C#N)C(N)=O NC(=O)[*:1] N#CC1(C#N)C[C@]1(C#N)[*:1]
CCn1nc(C)cc1C(=O)NCC1(O)CCC(C(C)(C)C)CC1 CC(C)(C)[*:1] CCn1nc(C)cc1C(=O)NCC1(O)CCC(CC1)[*:1]
CCCN(C(=O)CN(C)S(C)(=O)=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 Clc1ccc(c(Cl)c1)[*:1] CCCN(C(=O)CN(C)S(C)(=O)=O)c1nc(cs1)[*:1]
CCCN(C(=O)CN(C)S(C)(=O)=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 CN(C[*:1])S(C)(=O)=O CCCN(C(=O)[*:1])c1nc(cs1)-c1ccc(Cl)cc1Cl
CCCN(C(=O)CN(C)S(C)(=O)=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 CN(S(C)(=O)=O)[*:1] CCCN(C(=O)C[*:1])c1nc(cs1)-c1ccc(Cl)cc1Cl
CCCN(C(=O)CN(C)S(C)(=O)=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 CCC[*:1] CN(CC(=O)N(c1nc(cs1)-c1ccc(Cl)cc1Cl)[*:1])S(C)(=O)=O
COC(=O)[C@H](CC(C)C)NC(=O)c1cccc2c1ccn2C COC(=O)[*:1] CC(C)C[C@H](NC(=O)c1cccc2c1ccn2C)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1cccc2c1ccn2C CC(C)C[*:1] COC(=O)[C@H](NC(=O)c1cccc2c1ccn2C)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1cccc2c1ccn2C CC(C)[*:1] COC(=O)[C@H](C[*:1])NC(=O)c1cccc2c1ccn2C
COC(=O)c1cccc(NCc2ccccc2-n2ccc(C)n2)n1 COC(=O)[*:1] Cc1ccn(n1)-c1ccccc1CNc1cccc(n1)[*:1]
COC(=O)c1cccc(NCc2ccccc2-n2ccc(C)n2)n1 Cc1ccn(n1)[*:1] COC(=O)c1cccc(n1)NCc1ccccc1[*:1]
CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O COc1ccc(cc1)[*:1] CCOC(=O)[C@H](C)Oc1ccc2C(=O)C(=C[*:1])Oc2c1
CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O CCOC(=O)[C@H](C)O[*:1] COc1ccc(/C=C2\Oc3cc(ccc3C2=O)[*:1])cc1
CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O CCOC(=O)[*:1] COc1ccc(/C=C2\Oc3cc(ccc3C2=O)O[C@@H](C)[*:1])cc1
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccs4)cs3)cc2)C1 c1csc(c1)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccs4)cs3)cc2)C1 c1csc(c1)-c1csc(n1)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
C=CCOc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)nn1 C=CCO[*:1] CN(C)c1nc(nc(n1)N(C)C)Oc1ccc(nn1)[*:1]
C=CCOc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)nn1 C=CC[*:1] CN(C)c1nc(nc(n1)N(C)C)Oc1ccc(nn1)O[*:1]
C=CCOc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)nn1 CN(C)[*:1] C=CCOc1ccc(nn1)Oc1nc(nc(n1)[*:1])N(C)C
COC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 COC(=O)CNC(=O)[*:1] O=S(=O)(c1cccs1)N1Cc2ccccc2C[C@H]1[*:1]
COC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] COC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
COC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 COC(=O)[*:1] O=C(NC[*:1])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1
COC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 COC(=O)C[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1
O=C([O-])c1ccn(CC(F)(F)F)c1 FC(F)(F)[*:1] O=C([O-])c1ccn(c1)C[*:1]
O=C([O-])c1ccn(CC(F)(F)F)c1 O=C([O-])[*:1] FC(F)(F)Cn1ccc(c1)[*:1]
CCN[C@@H](c1[nH+]ccn1CC)[C@](C)(CC)[NH+]1CCCC1 CCN[*:1] CCn1cc[nH+]c1[C@@H]([C@](C)(CC)[NH+]1CCCC1)[*:1]
Cc1cc(C)c(NC(=O)CNc2ccc(F)c(-n3nnnc3C)c2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1nnnn1-c1cc(ccc1F)NCC(=O)N[*:1]
Cc1cc(C)c(NC(=O)CNc2ccc(F)c(-n3nnnc3C)c2)c(C)c1 Cc1nnnn1[*:1] Cc1cc(C)c(NC(=O)CNc2ccc(F)c(c2)[*:1])c(C)c1
C[C@H]1CCC[C@H](CC(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)C1 C1CC(CCO1)[*:1] C[C@H]1CCC[C@H](CC(=O)Nc2ccc(cc2)C(=O)N[*:1])C1
O=[S@@](CCc1ccccc1)Cc1coc(-c2cccc(Cl)c2)n1 c1ccc(cc1)[*:1] O=[S@@](CC[*:1])Cc1coc(n1)-c1cccc(Cl)c1
O=[S@@](CCc1ccccc1)Cc1coc(-c2cccc(Cl)c2)n1 c1ccc(cc1)C[*:1] O=[S@](Cc1coc(n1)-c1cccc(Cl)c1)C[*:1]
O=[S@@](CCc1ccccc1)Cc1coc(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] O=[S@@](CCc1ccccc1)Cc1coc(n1)[*:1]
C[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C(F)(F)F)ccc3Cl)C[C@H]2O)CC1 FC(F)(F)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCN(C[C@H]1O)C(=O)c1cc(ccc1Cl)[*:1]
O=C(Nc1cccc(Cl)c1)Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O Fc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)Nc1cnc2c(cccn2c1=O)C(=O)NC[*:1]
O=C(Nc1cccc(Cl)c1)Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O O=C(Nc1cccc(Cl)c1)N[*:1] O=C(NCc1ccc(F)cc1)c1cccn2c(=O)c(cnc12)[*:1]
O=C(Nc1cccc(Cl)c1)Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O O=C(NCc1ccc(F)cc1)[*:1] O=C(Nc1cccc(Cl)c1)Nc1cnc2c(cccn2c1=O)[*:1]
O=C(Nc1cccc(Cl)c1)Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O Clc1cccc(c1)[*:1] O=C(Nc1cnc2c(cccn2c1=O)C(=O)NCc1ccc(F)cc1)N[*:1]
O=C(Nc1cccc(Cl)c1)Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O Fc1ccc(cc1)C[*:1] O=C(Nc1cccc(Cl)c1)Nc1cnc2c(cccn2c1=O)C(=O)N[*:1]
CC[C@@H](NC(=O)N1CCN(CCOC)C(=O)C1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)N1CCN(CCOC)C(=O)C1)[*:1]
CC[C@@H](NC(=O)N1CCN(CCOC)C(=O)C1)c1cccs1 COC[*:1] CC[C@@H](NC(=O)N1CCN(C[*:1])C(=O)C1)c1cccs1
CC[C@@H](NC(=O)N1CCN(CCOC)C(=O)C1)c1cccs1 COCC[*:1] CC[C@@H](NC(=O)N1CCN(C(=O)C1)[*:1])c1cccs1
N#CCc1ccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1 N#CC[*:1] O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1ccc(cc1)[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC Cc1ccc(o1)[*:1] COc1ccc(cc1OC)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nc2ccc(C)cc2s1
COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC Cc1ccc(o1)C(=O)[*:1] COc1ccc(cc1OC)[C@H]1C(=C([O-])C(=O)N1c1nc2ccc(C)cc2s1)[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC Cc1ccc2nc(sc2c1)[*:1] COc1ccc(cc1OC)[C@H]1C(C(=O)c2ccc(C)o2)=C([O-])C(=O)N1[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@@H]1[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)NCCc1cccs1 c1csc(c1)C[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)NC[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)NCCc1cccs1 c1csc(c1)CC[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)NCCc1cccs1 c1csc(c1)[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)NCC[*:1]
CC(C)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 FC(F)(F)[*:1] CC(C)NC(=O)C1CCN(CC1)c1ccc2nnc(n2n1)[*:1]
CC(C)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 CC(C)NC(=O)[*:1] FC(F)(F)c1nnc2ccc(nn12)N1CCC(CC1)[*:1]
CC(C)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 CC(C)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc2nnc(n2n1)C(F)(F)F
Cn1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cn1 Cn1cc(cn1)C[*:1] c1ccc(cc1)CCc1nnc2CCN(CCn12)[*:1]
Cn1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)CN1CCc2nnc(CC[*:1])n2CC1
Cn1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cn1 Cn1cc(cn1)[*:1] c1ccc(cc1)CCc1nnc2CCN(CCn12)C[*:1]
Cn1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cn1 c1ccc(cc1)CC[*:1] Cn1cc(cn1)CN1CCc2nnc(n2CC1)[*:1]
Cn1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)CN1CCc2nnc(C[*:1])n2CC1
CCC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 c1ccc(cc1)C[*:1] CCC[C@@H](NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 c1ccc(cc1)[*:1] CCC[C@@H](C[*:1])NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12
CCC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 CCC[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)N[C@H](Cc1ccccc1)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)N1CCSC2(CCCCC2)C1 c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCSC2(CCCCC2)C1
Cn1cc(C(=O)N2CCCCCC2)cc(NC(=O)COc2ccc(Cl)cc2)c1=O O=C(N1CCCCCC1)[*:1] Cn1cc(cc(NC(=O)COc2ccc(Cl)cc2)c1=O)[*:1]
Cn1cc(C(=O)N2CCCCCC2)cc(NC(=O)COc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] Cn1cc(cc(NC(=O)CO[*:1])c1=O)C(=O)N1CCCCCC1
Cn1cc(C(=O)N2CCCCCC2)cc(NC(=O)COc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)O[*:1] Cn1cc(cc(NC(=O)C[*:1])c1=O)C(=O)N1CCCCCC1
Cn1cc(C(=O)N2CCCCCC2)cc(NC(=O)COc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)OC[*:1] Cn1cc(cc(NC(=O)[*:1])c1=O)C(=O)N1CCCCCC1
Cc1nn(-c2ccccc2)nc1C(=O)NOCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(nc1C(=O)NO[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)nc1C(=O)NOCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(nc1C(=O)NOC[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)nc1C(=O)NOCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(nc1C(=O)NOCc1ccccc1)[*:1]
O=C([O-])COc1ccc(-c2cc3cc(Br)ccc3oc2=O)cc1 O=C([O-])CO[*:1] O=c1oc2ccc(Br)cc2cc1-c1ccc(cc1)[*:1]
O=C([O-])COc1ccc(-c2cc3cc(Br)ccc3oc2=O)cc1 O=C([O-])C[*:1] O=c1oc2ccc(Br)cc2cc1-c1ccc(cc1)O[*:1]
O=C([O-])COc1ccc(-c2cc3cc(Br)ccc3oc2=O)cc1 O=C([O-])[*:1] O=c1oc2ccc(Br)cc2cc1-c1ccc(cc1)OC[*:1]
C[C@@H](Oc1cccc(C=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](Oc1cccc(C=O)c1)C(=O)Nc1cccc(c1)[*:1]
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nnn[n-]1 O=C([O-])[*:1] O=C(Nc1nnn[n-]1)[C@H]1CC=CC[C@@H]1[*:1]
COc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCCO3)cc1F COc1ccc(cc1F)[*:1] O=C(N[C@H](Cc1ccccc1)c1ccc2OCCCOc2c1)[*:1]
COc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCCO3)cc1F c1ccc(cc1)C[*:1] COc1ccc(cc1F)C(=O)N[C@H](c1ccc2OCCCOc2c1)[*:1]
COc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCCO3)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)C(=O)N[C@H](C[*:1])c1ccc2OCCCOc2c1
CCc1ccc(CN(C)C(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 CCc1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCC(=O)c1ccc2OCCOc2c1
CCc1ccc(CN(C)C(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 CCc1ccc(cc1)C[*:1] CN(C(=O)CCC(=O)c1ccc2OCCOc2c1)[*:1]
CCc1ccc(O)c(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c1 c1ccc(cc1)[*:1] CCc1ccc(O)c(c1)C(=O)N[C@H]1CCN(C1)C(=O)CC[*:1]
CCc1ccc(O)c(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c1 c1ccc(cc1)CC[*:1] CCc1ccc(O)c(c1)C(=O)N[C@H]1CCN(C1)C(=O)[*:1]
CCc1ccc(O)c(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c1 c1ccc(cc1)C[*:1] CCc1ccc(O)c(c1)C(=O)N[C@H]1CCN(C1)C(=O)C[*:1]
CCc1ccc(O)c(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c1 CCc1ccc(O)c(c1)[*:1] O=C(CCc1ccccc1)N1CC[C@@H](C1)NC(=O)[*:1]
Cc1ccc(C(N)=O)cc1NCc1c(C)nn(-c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1NCc1c(C)nn(c1C)[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NCc1c(C)nn(-c2ccc(F)cc2)c1C NC(=O)[*:1] Cc1ccc(cc1NCc1c(C)nn(-c2ccc(F)cc2)c1C)[*:1]
COc1ccccc1[C@H]1C[C@H]1C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C Cc1ccccc1[*:1] COc1ccccc1[C@H]1C[C@H]1C(=O)N1C[C@@H](C[C@@H]1C)[*:1]
COc1ccccc1[C@H]1C[C@H]1C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C COc1ccccc1[*:1] Cc1ccccc1[C@H]1C[C@H](C)N(C1)C(=O)[C@@H]1C[C@@H]1[*:1]
C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)C(=O)N1CCCC1 Fc1ccccc1[*:1] C[C@H](Sc1nc2sc3CCCCc3c2c(=O)n1[*:1])C(=O)N1CCCC1
C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H](Sc1nc2sc3CCCCc3c2c(=O)n1-c1ccccc1F)[*:1]
Cc1cc(C(=O)OC2(C3CC3)CC2)ccc1-n1cnnn1 C1CC1C1(CC1)[*:1] Cc1cc(ccc1-n1cnnn1)C(=O)O[*:1]
Cc1cc(C(=O)OC2(C3CC3)CC2)ccc1-n1cnnn1 C1CC1[*:1] Cc1cc(ccc1-n1cnnn1)C(=O)OC1(CC1)[*:1]
Cc1cc(C(=O)OC2(C3CC3)CC2)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])C(=O)OC1(CC1)C1CC1
CCN(CC)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 CCN(CC)C(=O)[*:1] O=S(=O)(c1ccc(C[*:1])s1)N1CCOCC1
C[C@H]1SCCN(C(=O)Nc2ccccc2CCC(F)(F)F)[C@@H]1C FC(F)(F)[*:1] C[C@H]1SCCN(C(=O)Nc2ccccc2CC[*:1])[C@@H]1C
C[C@H]1SCCN(C(=O)Nc2ccccc2CCC(F)(F)F)[C@@H]1C FC(F)(F)C[*:1] C[C@H]1SCCN(C(=O)Nc2ccccc2C[*:1])[C@@H]1C
C[C@H]1SCCN(C(=O)Nc2ccccc2CCC(F)(F)F)[C@@H]1C FC(F)(F)CC[*:1] C[C@H]1SCCN(C(=O)Nc2ccccc2[*:1])[C@@H]1C
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc(C)cc2C)c1 Cc1ccc(C[*:1])c(C)c1 CC[C@@H](C)NC(=O)c1cccc(c1)CNC(=O)N[*:1]
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc(C)cc2C)c1 Cc1ccc(c(C)c1)[*:1] CC[C@@H](C)NC(=O)c1cccc(c1)CNC(=O)NC[*:1]
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc(C)cc2C)c1 CC[C@@H](C)[*:1] Cc1ccc(CNC(=O)NCc2cccc(c2)C(=O)N[*:1])c(C)c1
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc(C)cc2C)c1 CC[C@@H](C)NC(=O)[*:1] Cc1ccc(CNC(=O)NCc2cccc(c2)[*:1])c(C)c1
O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cccnc1N1CCCCC1 FC(F)(F)O[*:1] O=C(NCCc1ccc(cc1)[*:1])c1cccnc1N1CCCCC1
O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cccnc1N1CCCCC1 FC(F)(F)[*:1] O=C(NCCc1ccc(cc1)O[*:1])c1cccnc1N1CCCCC1
O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cccnc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(NCCc1ccc(cc1)OC(F)(F)F)c1cccnc1[*:1]
CCCCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O CCCC[*:1] CCN(C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(Cl)s1)[*:1]
CCCCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O CCC[*:1] CCN(C[*:1])C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(Cl)s1
CCCCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O Clc1ccc(s1)[*:1] CCCCN(CC)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3cccc(Cl)c3)nc12 C1CN(CCO1)[*:1] Cc1cccc2sc(nc12)N(CCC[*:1])C(=O)c1cccc(Cl)c1
Cc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3cccc(Cl)c3)nc12 C(CN1CCOCC1)C[*:1] Cc1cccc2sc(nc12)N(C(=O)c1cccc(Cl)c1)[*:1]
Cc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3cccc(Cl)c3)nc12 C1CN(CCO1)C[*:1] Cc1cccc2sc(nc12)N(CC[*:1])C(=O)c1cccc(Cl)c1
Cc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3cccc(Cl)c3)nc12 C1CN(CCO1)CC[*:1] Cc1cccc2sc(nc12)N(C[*:1])C(=O)c1cccc(Cl)c1
Cc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3cccc(Cl)c3)nc12 Clc1cccc(c1)[*:1] Cc1cccc2sc(nc12)N(CCCN1CCOCC1)C(=O)[*:1]
[NH3+]Cc1ccc(OCCSc2ccccc2)cn1 c1ccc(cc1)[*:1] [NH3+]Cc1ccc(cn1)OCCS[*:1]
CCOc1cc(F)ccc1NC(=O)NCc1nncn1C1CC1 C1CC1[*:1] CCOc1cc(F)ccc1NC(=O)NCc1nncn1[*:1]
CCOc1cc(F)ccc1NC(=O)NCc1nncn1C1CC1 CCO[*:1] O=C(NCc1nncn1C1CC1)Nc1ccc(F)cc1[*:1]
N#Cc1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O FC(F)(F)[*:1] N#Cc1ccc(n(Cc2ccc(Cl)cc2)c1=O)[*:1]
N#Cc1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] N#Cc1ccc(n(C[*:1])c1=O)C(F)(F)F
COc1ccc(-c2ocnc2C(=O)NCCCn2ccnc2)cc1 c1cn(cn1)CC[*:1] COc1ccc(cc1)-c1ocnc1C(=O)NC[*:1]
COc1ccc(-c2ocnc2C(=O)NCCCn2ccnc2)cc1 c1cn(cn1)C[*:1] COc1ccc(cc1)-c1ocnc1C(=O)NCC[*:1]
COc1ccc(-c2ocnc2C(=O)NCCCn2ccnc2)cc1 c1cn(cn1)[*:1] COc1ccc(cc1)-c1ocnc1C(=O)NCCC[*:1]
COc1ccc(-c2ocnc2C(=O)NCCCn2ccnc2)cc1 c1cn(cn1)CCC[*:1] COc1ccc(cc1)-c1ocnc1C(=O)N[*:1]
COc1ccc(-c2ocnc2C(=O)NCCCn2ccnc2)cc1 COc1ccc(cc1)[*:1] O=C(NCCCn1ccnc1)c1ncoc1[*:1]
COCCOc1ccc(CNC(=O)N2CCC(c3ccccc3)CC2)cc1 COCCO[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCC(CC1)c1ccccc1
COCCOc1ccc(CNC(=O)N2CCC(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COCCOc1ccc(cc1)CNC(=O)N1CCC(CC1)[*:1]
COCCOc1ccc(CNC(=O)N2CCC(c3ccccc3)CC2)cc1 COCC[*:1] O=C(NCc1ccc(cc1)O[*:1])N1CCC(CC1)c1ccccc1
COCCOc1ccc(CNC(=O)N2CCC(c3ccccc3)CC2)cc1 COC[*:1] O=C(NCc1ccc(cc1)OC[*:1])N1CCC(CC1)c1ccccc1
Cc1ccc(F)cc1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(F)cc1NC(=O)NCc1[nH+]ccn1CCC[*:1]
Cc1ccc(F)cc1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 Cc1ccc(F)cc1[*:1] O=C(NCc1[nH+]ccn1CCCc1ccccc1)N[*:1]
Cc1ccc(F)cc1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccc(F)cc1NC(=O)NCc1[nH+]ccn1CC[*:1]
Cc1ccc(F)cc1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1ccc(F)cc1NC(=O)NCc1[nH+]ccn1C[*:1]
Cc1ccc(F)cc1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 c1ccc(cc1)CCC[*:1] Cc1ccc(F)cc1NC(=O)NCc1[nH+]ccn1[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)NC(=O)c2ccco2)c1 c1coc(c1)[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)[C@@H](C)[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 c1csc(c1)[*:1] CCN(CC(=O)NC(C)C)C(=O)c1c2CCC(=C[*:1])c2nc2ccccc12
CCN(CC(=O)NC(C)C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 CC(C)[*:1] CCN(CC(=O)N[*:1])C(=O)c1c2CC/C(=C\c3cccs3)c2nc2ccccc12
CCN(CC(=O)NC(C)C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 CC(C)NC(=O)C[*:1] CCN(C(=O)c1c2CC/C(=C\c3cccs3)c2nc2ccccc12)[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 CC(C)NC(=O)[*:1] CCN(C[*:1])C(=O)c1c2CC/C(=C\c3cccs3)c2nc2ccccc12
O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 c1ccc(cc1)C[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc2oc(CC[*:1])nc2c1
O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 c1ccc(cc1)CCC[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc2oc(nc2c1)[*:1]
O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc2oc(CCC[*:1])nc2c1
O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 c1ccc(cc1)CC[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc2oc(C[*:1])nc2c1
CN(C[C@@H]1C=c2ccccc2=[NH+]C1=O)C(=O)c1cccnc1 c1cncc(c1)[*:1] CN(C[C@@H]1C=c2ccccc2=[NH+]C1=O)C(=O)[*:1]
Cc1nc(C)c(/C=C2\N=C(c3ccc(F)c(F)c3)OC2=O)s1 Cc1nc(C)c(s1)[*:1] O=C1OC(=NC1=C[*:1])c1ccc(F)c(F)c1
Nc1c(NCc2cccnc2)ncnc1OC1CCCCC1 C1CCC(CC1)O[*:1] Nc1c(ncnc1[*:1])NCc1cccnc1
Nc1c(NCc2cccnc2)ncnc1OC1CCCCC1 c1cncc(c1)[*:1] Nc1c(ncnc1OC1CCCCC1)NC[*:1]
Nc1c(NCc2cccnc2)ncnc1OC1CCCCC1 C1CCC(CC1)[*:1] Nc1c(ncnc1O[*:1])NCc1cccnc1
Nc1c(NCc2cccnc2)ncnc1OC1CCCCC1 c1cncc(c1)C[*:1] Nc1c(ncnc1OC1CCCCC1)N[*:1]
O=C(CCNC(=O)c1ccccc1)N/N=C\c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(CCNC(=O)c1ccccc1)NN=C[*:1]
O=C(CCNC(=O)c1ccccc1)N/N=C\c1ccc(Br)o1 c1ccc(cc1)[*:1] O=C(CCNC(=O)[*:1])N/N=C\c1ccc(Br)o1
Cc1ccc(CNC(=O)CN2CC[NH+](CCCO)CC2)cc1F OCC[*:1] Cc1ccc(cc1F)CNC(=O)CN1CC[NH+](CC1)C[*:1]
CC(C)CN(C)C(=O)/C=C/c1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)[*:1] CC(C)NS(=O)(=O)c1ccc(/C=C/C(=O)N(C)C[*:1])cc1
CC(C)CN(C)C(=O)/C=C/c1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)NS(=O)(=O)[*:1] CC(C)CN(C)C(=O)/C=C/c1ccc(cc1)[*:1]
CC(C)CN(C)C(=O)/C=C/c1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)[*:1] CC(C)CN(C)C(=O)/C=C/c1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)CN(C)C(=O)/C=C/c1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)C[*:1] CC(C)NS(=O)(=O)c1ccc(/C=C/C(=O)N(C)[*:1])cc1
Cc1cc(=O)c(O)c(CN2CC=C(c3ccc(F)cc3)CC2)n1C Fc1ccc(cc1)[*:1] Cc1cc(=O)c(O)c(CN2CC=C(CC2)[*:1])n1C
CC[C@H](NC(=O)N[C@@H](CC)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 C1CO[C@@H](C1)[*:1] CC[C@H](NC(=O)N[C@@H](CC)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)N[C@@H](CC)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)N[C@@H](CC)[C@@H]1CCCO1)c1cccc(c1)[*:1]
Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)CC2CCCCC2)n1 C1CCC(CC1)[*:1] Cc1nc(cc(n1)[C@H]1CCCN1C(=O)C[*:1])Nc1ncc(C)s1
Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)CC2CCCCC2)n1 C1CCC(CC1)C[*:1] Cc1nc(cc(n1)[C@H]1CCCN1C(=O)[*:1])Nc1ncc(C)s1
Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)CC2CCCCC2)n1 Cc1cnc(s1)[*:1] Cc1nc(cc(n1)[C@H]1CCCN1C(=O)CC1CCCCC1)N[*:1]
Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)CC2CCCCC2)n1 Cc1cnc(N[*:1])s1 Cc1nc(cc(n1)[*:1])[C@H]1CCCN1C(=O)CC1CCCCC1
COc1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 COc1ccccc1[*:1] COc1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccccc1N(C[C@@H]1C=c2cccc(C)c2=[NH+]C1=O)C(=O)c1cccs1 COc1ccccc1[*:1] Cc1cccc2=C[C@@H](CN(C(=O)c3cccs3)[*:1])C(=O)[NH+]=c12
COc1ccccc1N(C[C@@H]1C=c2cccc(C)c2=[NH+]C1=O)C(=O)c1cccs1 c1csc(c1)[*:1] COc1ccccc1N(C[C@@H]1C=c2cccc(C)c2=[NH+]C1=O)C(=O)[*:1]
COc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1Cl Fc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)N(C)[C@@H](C)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 CC(C)C[*:1] O=C(Nc1ccc(cc1)SC(F)F)N1CC[C@@H](C1)OC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 CC(C)CC[*:1] O=C(Nc1ccc(cc1)SC(F)F)N1CC[C@@H](C1)O[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 FC(F)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)Nc1ccc(cc1)S[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 CC(C)CCO[*:1] O=C(Nc1ccc(cc1)SC(F)F)N1CC[C@@H](C1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 FC(F)S[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 CC(C)[*:1] O=C(Nc1ccc(cc1)SC(F)F)N1CC[C@@H](C1)OCC[*:1]
CCOC(=O)[C@@H](O)[C@@H]1CCCCC1(C)C CCOC(=O)[*:1] CC1(C)CCCC[C@H]1[C@H](O)[*:1]
O=C(CCl)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 c1ccc(cc1)[*:1] O=C(CCl)Nc1sc2CCCCc2c1C(=O)[*:1]
O=C(CCl)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 O=C(CCl)N[*:1] O=C(c1ccccc1)c1c(sc2CCCCc21)[*:1]
COCC[C@@H](C)NC(=O)c1sc(C)c(Br)c1OC COCC[*:1] COc1c(sc(C)c1Br)C(=O)N[C@H](C)[*:1]
COCC[C@@H](C)NC(=O)c1sc(C)c(Br)c1OC COC[*:1] COc1c(sc(C)c1Br)C(=O)N[C@H](C)C[*:1]
COCC[C@@H](C)NC(=O)c1sc(C)c(Br)c1OC COCC[C@@H](C)[*:1] COc1c(sc(C)c1Br)C(=O)N[*:1]
Cc1nc(CNC(=O)C[C@H](C)C(C)C)sc1C CC(C)[*:1] Cc1nc(CNC(=O)C[C@H](C)[*:1])sc1C
Cc1nc(CNC(=O)C[C@H](C)C(C)C)sc1C CC(C)[C@@H](C)[*:1] Cc1nc(CNC(=O)C[*:1])sc1C
Cc1cnc([C@H](NC(=O)NCc2ccccc2Cl)C2CC2)s1 Clc1ccccc1[*:1] Cc1cnc(s1)[C@H](NC(=O)NC[*:1])C1CC1
Cc1cnc([C@H](NC(=O)NCc2ccccc2Cl)C2CC2)s1 Cc1cnc(s1)[*:1] O=C(NCc1ccccc1Cl)N[C@H](C1CC1)[*:1]
Cc1cnc([C@H](NC(=O)NCc2ccccc2Cl)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H](NC(=O)NCc1ccccc1Cl)[*:1]
O=C(NCCCCn1cc[nH+]c1)c1ccc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] O=C(NCCCCn1cc[nH+]c1)c1ccc(nc1)[*:1]
C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(C)(C)C)cc1c32 CC(C)(C)[*:1] C[C@H]1C(=O)N2CCCc3cc(cc1c32)NC(=O)[*:1]
C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(C)(C)C)cc1c32 CC(C)(C)C(=O)N[*:1] C[C@H]1C(=O)N2CCCc3cc(cc1c32)[*:1]
CCc1nn(C)cc1CNC(=O)[C@H](C)c1ccc2c(c1)OCCO2 CCc1nn(C)cc1[*:1] C[C@@H](C(=O)NC[*:1])c1ccc2OCCOc2c1
O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@@H]1c1ccc(O)cc1 FC(F)C[*:1] O=C(c1ccnc(c1)O[*:1])N1CCC[C@@H]1c1ccc(O)cc1
O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@@H]1c1ccc(O)cc1 FC(F)[*:1] O=C(c1ccnc(c1)OC[*:1])N1CCC[C@@H]1c1ccc(O)cc1
O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@@H]1c1ccc(O)cc1 FC(F)CO[*:1] O=C(c1ccnc(c1)[*:1])N1CCC[C@@H]1c1ccc(O)cc1
O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(c1ccnc(c1)OCC(F)F)N1CCC[C@H]1[*:1]
C[C@]12CCC(=O)N1[C@@H](C(=O)NCCN1C(=O)S/C(=C\c3ccc4c(c3)OCO4)C1=O)CS2 c1cc2OCOc2cc1[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)NCCN1C(=O)SC(=C[*:1])C1=O
Cc1cc(=O)oc2c3c(cc(OCC(=O)NC(C)(C)CO)c12)OC(C)(C)CC3 CC(C)(CO)NC(=O)C[*:1] Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(O[*:1])c12
Cc1cc(=O)oc2c3c(cc(OCC(=O)NC(C)(C)CO)c12)OC(C)(C)CC3 CC(C)(CO)[*:1] Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N[*:1])c12
Cc1cc(=O)oc2c3c(cc(OCC(=O)NC(C)(C)CO)c12)OC(C)(C)CC3 CC(C)(CO)NC(=O)[*:1] Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OC[*:1])c12
Cc1ccc2cc(COC(=O)CNC(=O)C3CCCCC3)c(Cl)nc2c1C O=C(N[*:1])C1CCCCC1 Cc1ccc2cc(COC(=O)C[*:1])c(Cl)nc2c1C
Cc1ccc2cc(COC(=O)CNC(=O)C3CCCCC3)c(Cl)nc2c1C C1CCC(CC1)[*:1] Cc1ccc2cc(COC(=O)CNC(=O)[*:1])c(Cl)nc2c1C
CCOC(=O)c1oc2cc3c(C)c(C(=O)OCC)oc3cc2c1C CCOC(=O)[*:1] CCOC(=O)c1oc2cc3c(C)c(oc3cc2c1C)[*:1]
O=C(CCc1ccc(F)cc1)N1CCC(OCc2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(CC[*:1])N1CCC(CC1)OCc1ccccc1
O=C(CCc1ccc(F)cc1)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCc1ccc(F)cc1)N1CCC(CC1)OC[*:1]
O=C(CCc1ccc(F)cc1)N1CCC(OCc2ccccc2)CC1 Fc1ccc(cc1)C[*:1] O=C(C[*:1])N1CCC(CC1)OCc1ccccc1
O=C(CCc1ccc(F)cc1)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CCc1ccc(F)cc1)N1CCC(CC1)O[*:1]
O=C(CCc1ccc(F)cc1)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)CO[*:1] O=C(CCc1ccc(F)cc1)N1CCC(CC1)[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)N[C@H](C)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N[C@H](C)[*:1]
CC(=O)Nc1ncc(C(C)(C)C)s1 CC(C)(C)[*:1] CC(=O)Nc1ncc(s1)[*:1]
CC(=O)Nc1ncc(C(C)(C)C)s1 CC(=O)N[*:1] CC(C)(C)c1cnc(s1)[*:1]
O=C(CSCC1CCCCC1)NC1CCOCC1 C1CCC(CC1)[*:1] O=C(CSC[*:1])NC1CCOCC1
O=C(CSCC1CCCCC1)NC1CCOCC1 C1CC(CCO1)[*:1] O=C(CSCC1CCCCC1)N[*:1]
CNC(=O)c1cc(NC(=O)N[C@H](CCO)c2ccccc2)ccc1F OCC[*:1] CNC(=O)c1cc(ccc1F)NC(=O)N[C@H](c1ccccc1)[*:1]
CNC(=O)c1cc(NC(=O)N[C@H](CCO)c2ccccc2)ccc1F c1ccc(cc1)[*:1] CNC(=O)c1cc(ccc1F)NC(=O)N[C@H](CCO)[*:1]
CNC(=O)c1cc(NC(=O)N[C@H](CCO)c2ccccc2)ccc1F CNC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])N[C@H](CCO)c1ccccc1
O=C([O-])C[C@@H](N[C@@H]1CC[NH2+]C1)c1cccs1 O=C([O-])[*:1] c1csc(c1)[C@@H](C[*:1])N[C@@H]1CC[NH2+]C1
O=C([O-])C[C@@H](N[C@@H]1CC[NH2+]C1)c1cccs1 O=C([O-])C[*:1] c1csc(c1)[C@H](N[C@@H]1CC[NH2+]C1)[*:1]
O=C([O-])C[C@@H](N[C@@H]1CC[NH2+]C1)c1cccs1 c1csc(c1)[*:1] O=C([O-])C[C@@H](N[C@@H]1CC[NH2+]C1)[*:1]
Cc1n[nH]cc1CN[C@@H](C)Cc1c(F)cccc1F Cc1n[nH]cc1[*:1] C[C@@H](Cc1c(F)cccc1F)NC[*:1]
Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 Cc1ccc(cc1)[*:1] O=C1C(O)=C([C@H](c2ccccc2F)N1Cc1ccc(F)cc1)[*:1]
Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)C1=C(O)C(=O)N(Cc2ccc(F)cc2)[C@@H]1[*:1]
Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)C1=C(O)C(=O)N([C@H]1c1ccccc1F)[*:1]
Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)C1=C(O)C(=O)N(C[*:1])[C@H]1c1ccccc1F
Cc1n[nH]c(-c2ccc(C(=O)N3CCSC4(CCCCC4)C3)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCSC2(CCCCC2)C1
Cc1ncc([C@H](C)NCc2ccccc2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] Cc1ncc(s1)[C@H](C)NCc1ccccc1[*:1]
Cc1ncc([C@H](C)NCc2ccccc2[N+](=O)[O-])s1 Cc1ncc(s1)[*:1] C[C@H](NCc1ccccc1[N+](=O)[O-])[*:1]
C=CCn1c(SCc2ccccc2)nnc1C(F)(F)F C=CC[*:1] FC(F)(F)c1nnc(SCc2ccccc2)n1[*:1]
C=CCn1c(SCc2ccccc2)nnc1C(F)(F)F c1ccc(cc1)[*:1] C=CCn1c(nnc1C(F)(F)F)SC[*:1]
C=CCn1c(SCc2ccccc2)nnc1C(F)(F)F FC(F)(F)[*:1] C=CCn1c(nnc1[*:1])SCc1ccccc1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccc(-c2ncon2)cc1 Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)Nc1ccc(cc1)-c1ncon1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccc(-c2ncon2)cc1 Cc1n[nH]c(C)c1C[*:1] C[C@@H](C(=O)Nc1ccc(cc1)-c1ncon1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccc(-c2ncon2)cc1 c1nc(no1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 NC(=O)[*:1] CCOc1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 CCO[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
C[C@H](N[C@H](C)C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](N[C@H](C)C[C@H]1CCC[NH2+]1)c1ccc(cc1)[*:1]
O=C(Cn1ccnc1)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 c1cn(cn1)[*:1] O=C(C[*:1])N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1
O=C(Cn1ccnc1)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 c1cn(cn1)C[*:1] O=C1C[C@@H](CN1CCc1cccc(Cl)c1)NC(=O)[*:1]
O=C(Cn1ccnc1)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 Clc1cccc(c1)C[*:1] O=C(Cn1ccnc1)N[C@H]1CC(=O)N(C1)C[*:1]
O=C(Cn1ccnc1)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(Cn1ccnc1)N[C@H]1CC(=O)N(CC[*:1])C1
O=C(NCCc1ccc(F)cc1)c1ccc(NC(=O)c2cccs2)cc1 O=C(N[*:1])c1cccs1 O=C(NCCc1ccc(F)cc1)c1ccc(cc1)[*:1]
O=C(NCCc1ccc(F)cc1)c1ccc(NC(=O)c2cccs2)cc1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])c1ccc(cc1)NC(=O)c1cccs1
O=C(NCCc1ccc(F)cc1)c1ccc(NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] O=C(NCCc1ccc(F)cc1)c1ccc(cc1)NC(=O)[*:1]
O=C(NCCc1ccc(F)cc1)c1ccc(NC(=O)c2cccs2)cc1 Fc1ccc(cc1)C[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)c1cccs1
COc1ncc(NC(=O)c2cccs2)cn1 c1csc(c1)[*:1] COc1ncc(cn1)NC(=O)[*:1]
CCCCn1nc(C(=O)Nc2ccc(Cl)cc2)ccc1=O CCC[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(=O)n(C[*:1])n1
CCCCn1nc(C(=O)Nc2ccc(Cl)cc2)ccc1=O CCCC[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(=O)n(n1)[*:1]
CCCCn1nc(C(=O)Nc2ccc(Cl)cc2)ccc1=O Clc1ccc(cc1)[*:1] CCCCn1nc(ccc1=O)C(=O)N[*:1]
CNC(=O)CN1CCN(C(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)CC1 CNC(=O)[*:1] CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)C[*:1]
CNC(=O)CN1CCN(C(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)CC1 Clc1cccc(c1)O[*:1] CNC(=O)CN1CCN(CC1)C(=O)[C@H](C(C)C)[*:1]
CNC(=O)CN1CCN(C(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)CC1 CC(C)[*:1] CNC(=O)CN1CCN(CC1)C(=O)[C@H](Oc1cccc(Cl)c1)[*:1]
CNC(=O)CN1CCN(C(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)CC1 CNC(=O)C[*:1] CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)[*:1]
CNC(=O)CN1CCN(C(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)CC1 Clc1cccc(c1)[*:1] CNC(=O)CN1CCN(CC1)C(=O)[C@H](O[*:1])C(C)C
CC(C)(C)NC(=O)C[C@@H](C[NH3+])N1CCCSCC1 CC(C)(C)[*:1] [NH3+]C[C@H](CC(=O)N[*:1])N1CCCSCC1
CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2c2ccccc2OC)CC1 COc1ccccc1[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@@H]1[*:1]
O=C1NC2(CCC2)C(=O)N1C[C@H](O)COCc1ccccc1 c1ccc(cc1)C[*:1] O=C1NC2(CCC2)C(=O)N1C[C@H](O)CO[*:1]
O=C1NC2(CCC2)C(=O)N1C[C@H](O)COCc1ccccc1 c1ccc(cc1)[*:1] O=C1NC2(CCC2)C(=O)N1C[C@H](O)COC[*:1]
[NH2+]=c1oc2c(Cl)cc(Cl)cc2cc1C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] [NH2+]=c1oc2c(Cl)cc(Cl)cc2cc1C(=O)N[*:1]
CNC(=O)c1ccc(NCc2cc(=O)oc3cc(C)c(Cl)cc23)cc1Cl CNC(=O)[*:1] Cc1cc2oc(=O)cc(CNc3ccc(c(Cl)c3)[*:1])c2cc1Cl
C[C@H](CCc1ccco1)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 c1coc(c1)[*:1] C[C@H](CC[*:1])NC(=O)c1ccc(Cl)c(c1)S(C)(=O)=O
C[C@H](CCc1ccco1)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] C[C@H](CCc1ccco1)NC(=O)c1ccc(Cl)c(c1)[*:1]
C[C@H](CCc1ccco1)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 c1coc(c1)C[*:1] C[C@H](C[*:1])NC(=O)c1ccc(Cl)c(c1)S(C)(=O)=O
C[C@H](CCc1ccco1)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 c1coc(c1)CC[*:1] C[C@H](NC(=O)c1ccc(Cl)c(c1)S(C)(=O)=O)[*:1]
C[C@H]1CCC[C@H](CCNC(=O)NC(CO)CO)C1 OCC(CO)[*:1] C[C@H]1CCC[C@H](CCNC(=O)N[*:1])C1
COCc1cc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)no1 c1csc(c1)C[*:1] COCc1cc(no1)C(=O)N(C[C@H]1CCCO1)[*:1]
COCc1cc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)no1 C1CO[C@H](C1)C[*:1] COCc1cc(no1)C(=O)N(Cc1cccs1)[*:1]
COCc1cc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)no1 COC[*:1] O=C(c1cc(on1)[*:1])N(Cc1cccs1)C[C@H]1CCCO1
COCc1cc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)no1 c1csc(c1)[*:1] COCc1cc(no1)C(=O)N(C[C@H]1CCCO1)C[*:1]
COCc1cc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)no1 C1CO[C@H](C1)[*:1] COCc1cc(no1)C(=O)N(Cc1cccs1)C[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(Cl)c1F Fc1c(Cl)cccc1[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)C(=O)N[*:1]
COc1ccc(Cl)cc1CNC(=O)N(CCO)C1CC1 C1CC1[*:1] COc1ccc(Cl)cc1CNC(=O)N(CCO)[*:1]
COc1ccc(Cl)cc1CNC(=O)N(CCO)C1CC1 OCC[*:1] COc1ccc(Cl)cc1CNC(=O)N(C1CC1)[*:1]
CC(C)(CNC(=O)Nc1c(F)cccc1F)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)Nc1c(F)cccc1F)[C@@H](O)[*:1]
CC(C)(CNC(=O)Nc1c(F)cccc1F)[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] CC(C)(CNC(=O)Nc1c(F)cccc1F)[*:1]
CC(C)(CNC(=O)Nc1c(F)cccc1F)[C@@H](O)c1ccccc1 Fc1cccc(F)c1[*:1] CC(C)(CNC(=O)N[*:1])[C@@H](O)c1ccccc1
CC(=O)c1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2
O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1sccc1S(=O)(=O)N1CCCC1 c1ccc2c(c1)CCN2[*:1] O=C(Nc1ccc(cc1)C[*:1])c1sccc1S(=O)(=O)N1CCCC1
O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1sccc1S(=O)(=O)N1CCCC1 c1ccc2c(c1)CCN2C[*:1] O=C(Nc1ccc(cc1)[*:1])c1sccc1S(=O)(=O)N1CCCC1
O=C(Nc1ccc(CN2CCc3ccccc32)cc1)c1sccc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)CN1CCc2ccccc21)c1sccc1[*:1]
CCSc1cncc(N[C@@H]2CCc3[nH]ncc3C2)n1 CCS[*:1] c1ncc(nc1N[C@@H]1CCc2[nH]ncc2C1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 Clc1cccc(c1)[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 CC(C)Oc1ccc(cc1)[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(Cl)c1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 CC(C)O[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(Cl)c1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 CC(C)[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(Cl)c1)c1ccc(cc1)O[*:1]
CCSC1=C(C#N)[C@H](c2ccc(CC)cc2)CC(=O)N1 CCS[*:1] CCc1ccc(cc1)[C@@H]1CC(=O)NC(=C1C#N)[*:1]
CCOc1ccc(Nc2ncnc(N3CCN(CCO)CC3)c2N)cc1 CCO[*:1] Nc1c(ncnc1N1CCN(CCO)CC1)Nc1ccc(cc1)[*:1]
CCOc1ccc(Nc2ncnc(N3CCN(CCO)CC3)c2N)cc1 OCC[*:1] CCOc1ccc(cc1)Nc1ncnc(c1N)N1CCN(CC1)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)NCc1cc(Br)cs1 C[C@@H](CO)[*:1] C[C@@H](NC(=O)NCc1cc(Br)cs1)[*:1]
CC(=O)NC(=O)NC(=O)/C(C#N)=C/Nc1ccc(O)cc1 Oc1ccc(cc1)[*:1] CC(=O)NC(=O)NC(=O)/C(C#N)=C/N[*:1]
COc1ccc(OC2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)OC1C(=O)N(C(=O)C=1Cl)[*:1]
COc1ccc(OC2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C1C(Cl)=C(O[*:1])C(=O)N1c1cccc(Cl)c1
COc1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 O=S(=O)(N1CCCC1)[*:1] COc1cccc(/C=C/C(=O)c2ccc(cc2)[*:1])c1
COc1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 COc1cccc(c1)[*:1] O=C(C=C[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
c1ccc(OC2CCN(Cc3cncs3)CC2)cc1 c1ccc(cc1)[*:1] c1ncc(CN2CCC(CC2)O[*:1])s1
c1ccc(OC2CCN(Cc3cncs3)CC2)cc1 c1ncc(C[*:1])s1 c1ccc(cc1)OC1CCN(CC1)[*:1]
c1ccc(OC2CCN(Cc3cncs3)CC2)cc1 c1ncc(s1)[*:1] c1ccc(cc1)OC1CCN(CC1)C[*:1]
O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)c1ccc(nn1)-c1ccncc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1 c1cc(ccn1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1 CC(=O)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(nn1)-c1ccncc1
COc1cc(NC(=O)NCC#CCOc2cccc(Br)c2)cc(OC)c1OC Brc1cccc(c1)O[*:1] COc1cc(cc(OC)c1OC)NC(=O)NCC#CC[*:1]
COc1cc(NC(=O)NCC#CCOc2cccc(Br)c2)cc(OC)c1OC Brc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)NCC#CCO[*:1]
COc1cc(NC(=O)NCC#CCOc2cccc(Br)c2)cc(OC)c1OC Brc1cccc(c1)OC[*:1] COc1cc(cc(OC)c1OC)NC(=O)NCC#C[*:1]
Cc1cc(C)cc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)N(Cc1nnc2CCCCCn21)C(=O)N[*:1]
Cc1cc(C)cc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(Nc1ccccc1)N(Cc1nnc2CCCCCn21)[*:1]
CCOc1ccc(C2=CCN(C(=O)N[C@H](CC)[C@H]3CCCO3)CC2)cc1 CCO[*:1] CC[C@@H](NC(=O)N1CC=C(CC1)c1ccc(cc1)[*:1])[C@H]1CCCO1
CCOCCN(C)C(=O)C1(c2ccc(F)cc2)CCOCC1 CCOCC[*:1] CN(C(=O)C1(CCOCC1)c1ccc(F)cc1)[*:1]
CCOCCN(C)C(=O)C1(c2ccc(F)cc2)CCOCC1 CCO[*:1] CN(CC[*:1])C(=O)C1(CCOCC1)c1ccc(F)cc1
CCOCCN(C)C(=O)C1(c2ccc(F)cc2)CCOCC1 Fc1ccc(cc1)[*:1] CCOCCN(C)C(=O)C1(CCOCC1)[*:1]
CCOCCN(C)C(=O)C1(c2ccc(F)cc2)CCOCC1 CCOC[*:1] CN(C[*:1])C(=O)C1(CCOCC1)c1ccc(F)cc1
COc1cccc(C[C@H]2CN(Cc3nc(C(C)C)no3)CCO2)c1 CC(C)c1noc(n1)[*:1] COc1cccc(c1)C[C@H]1CN(CCO1)C[*:1]
COc1cccc(C[C@H]2CN(Cc3nc(C(C)C)no3)CCO2)c1 CC(C)[*:1] COc1cccc(c1)C[C@H]1CN(CCO1)Cc1nc(no1)[*:1]
COc1cccc(C[C@H]2CN(Cc3nc(C(C)C)no3)CCO2)c1 COc1cccc(c1)[*:1] CC(C)c1noc(CN2CCO[C@H](C2)C[*:1])n1
O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)Nc1ccccc1 Clc1ccc2[nH]cc(c2c1)[*:1] O=C(CC[C@@H]1NC(=O)N(CC[*:1])C1=O)Nc1ccccc1
O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=C1N[C@@H](C[*:1])C(=O)N1CCc1c[nH]c2ccc(Cl)cc12
O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)N[*:1]
O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C1N[C@@H](CC[*:1])C(=O)N1CCc1c[nH]c2ccc(Cl)cc12
Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)C(=O)N1Cc2ccccc2C[C@H]1[*:1]
Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1 Cc1ccc(cc1)[*:1] O=C([C@H]1Cc2ccccc2CN1C(=O)[*:1])N1CCCC1
CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccco1 Clc1ccc(nc1)[*:1] CCn1c(nnc1-c1ccco1)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1ccc(Cl)cn1
Cc1ccc(NC(=O)NC[C@H](O)c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)NC(=O)NC[C@H](O)[*:1]
O=C([O-])Cn1cccc1C(=O)NCCC1CCCCC1 O=C([O-])[*:1] O=C(NCCC1CCCCC1)c1cccn1C[*:1]
O=C([O-])Cn1cccc1C(=O)NCCC1CCCCC1 O=C([O-])C[*:1] O=C(NCCC1CCCCC1)c1cccn1[*:1]
O=C([O-])Cn1cccc1C(=O)NCCC1CCCCC1 C1CCC(CC1)[*:1] O=C([O-])Cn1cccc1C(=O)NCC[*:1]
COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ncn2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)N1CCN(CC1)c1cc(ncn1)[*:1]
COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ncn2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(ncn1)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ncn2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1cc(ncn1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(N2CC[C@H](NC3CCN(C(=O)CC(C)(C)C)CC3)C2=O)n(C)n1 CC(C)(C)[*:1] Cc1cc(N2CC[C@H](NC3CCN(CC3)C(=O)C[*:1])C2=O)n(C)n1
Cc1cc(N2CC[C@H](NC3CCN(C(=O)CC(C)(C)C)CC3)C2=O)n(C)n1 Cc1cc(n(C)n1)[*:1] CC(C)(C)CC(=O)N1CCC(CC1)N[C@H]1CCN(C1=O)[*:1]
Cc1cc(N2CC[C@H](NC3CCN(C(=O)CC(C)(C)C)CC3)C2=O)n(C)n1 CC(C)(C)C[*:1] Cc1cc(N2CC[C@H](NC3CCN(CC3)C(=O)[*:1])C2=O)n(C)n1
CCOCCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 CCOCCC[*:1] CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[*:1]
CCOCCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 CCOC[*:1] CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCC[*:1]
CCOCCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 CCOCC[*:1] CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NC[*:1]
CCOCCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 CCO[*:1] CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[*:1]
Cc1nc(C)n([C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n1 Cc1nc(C)n(n1)[*:1] O=C(CC[C@H]1CCCO1)N1CCC[C@H](C1)[*:1]
Cc1nc(C)n([C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n1 C1CO[C@H](C1)CC[*:1] Cc1nc(C)n(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1nc(C)n([C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n1 C1CO[C@H](C1)[*:1] Cc1nc(C)n(n1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
Cc1nc(C)n([C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n1 C1CO[C@H](C1)C[*:1] Cc1nc(C)n(n1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CC(=O)C(C)(C)CN1CCC[C@@H]1C[NH+](C)C CC(=O)[*:1] C[NH+](C)C[C@H]1CCCN1CC(C)(C)[*:1]
N#Cc1cccnc1N1CCN(C(=O)CCSc2ccccn2)CC1 c1ccc(nc1)SC[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)C[*:1]
N#Cc1cccnc1N1CCN(C(=O)CCSc2ccccn2)CC1 c1ccc(nc1)S[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)CC[*:1]
N#Cc1cccnc1N1CCN(C(=O)CCSc2ccccn2)CC1 N#Cc1cccnc1[*:1] O=C(CCSc1ccccn1)N1CCN(CC1)[*:1]
N#Cc1cccnc1N1CCN(C(=O)CCSc2ccccn2)CC1 c1ccc(nc1)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)CCS[*:1]
CC(C)N1CCO[C@@H]([C@H](O)c2cccc(F)c2F)C1 CC(C)[*:1] O[C@H](c1cccc(F)c1F)[C@H]1CN(CCO1)[*:1]
O[C@@H]1c2ccccc2CCC[C@@H]1CC(F)F FC(F)C[*:1] O[C@@H]1c2ccccc2CCC[C@H]1[*:1]
O[C@@H]1c2ccccc2CCC[C@@H]1CC(F)F FC(F)[*:1] O[C@@H]1c2ccccc2CCC[C@@H]1C[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CC1CC1 CCC[*:1] C[C@H]([NH2+]CC1CC1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CC1CC1 C1CC1C[*:1] CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][*:1]
CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CC1CC1 C1CC1[*:1] CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]C[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CC1CC1 CCC[C@@H](C)[*:1] C[C@H]([NH2+]CC1CC1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)CCCC(=O)/N=c2/sc3cc(C)cc(C)c3n2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c2c(c1)s/c(=N/C(=O)CCCS(=O)(=O)[*:1])n2C
COc1ccc([C@@H](CC(=O)Nc2nc(C)cs2)n2cccc2)cc1 COc1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)C[C@@H](n1cccc1)[*:1]
COc1ccc([C@@H](CC(=O)Nc2nc(C)cs2)n2cccc2)cc1 Cc1csc(n1)[*:1] COc1ccc(cc1)[C@@H](CC(=O)N[*:1])n1cccc1
COc1ccc([C@@H](CC(=O)Nc2nc(C)cs2)n2cccc2)cc1 c1ccn(c1)[*:1] COc1ccc(cc1)[C@@H](CC(=O)Nc1nc(C)cs1)[*:1]
COC(=O)c1ccc(NC(=O)c2cnn3cccnc23)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cnn2cccnc12
CN(C)C(=O)N1CCCn2nc(CNC(=O)CSc3ccncc3)cc2C1 c1cc(ccn1)[*:1] CN(C)C(=O)N1CCCn2nc(cc2C1)CNC(=O)CS[*:1]
CN(C)C(=O)N1CCCn2nc(CNC(=O)CSc3ccncc3)cc2C1 c1cc(ccn1)S[*:1] CN(C)C(=O)N1CCCn2nc(cc2C1)CNC(=O)C[*:1]
CN(C)C(=O)N1CCCn2nc(CNC(=O)CSc3ccncc3)cc2C1 c1cc(ccn1)SC[*:1] CN(C)C(=O)N1CCCn2nc(cc2C1)CNC(=O)[*:1]
CO[C@@H](CNC(=O)N[C@@H](C)c1ccncc1)c1ccc(F)cc1 c1cc(ccn1)[*:1] CO[C@@H](CNC(=O)N[C@@H](C)[*:1])c1ccc(F)cc1
CO[C@@H](CNC(=O)N[C@@H](C)c1ccncc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)N[C@@H](C)c1ccncc1)[*:1]
Cc1cc(C)nc(Nc2nc(CC(=O)Nc3ccc(-n4cnnn4)cc3)cs2)n1 Cc1cc(C)nc(n1)[*:1] O=C(Cc1csc(n1)N[*:1])Nc1ccc(cc1)-n1cnnn1
Cc1cc(C)nc(Nc2nc(CC(=O)Nc3ccc(-n4cnnn4)cc3)cs2)n1 Cc1cc(C)nc(n1)N[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc(cc1)-n1cnnn1
Cc1cc(C)nc(Nc2nc(CC(=O)Nc3ccc(-n4cnnn4)cc3)cs2)n1 c1nnnn1[*:1] Cc1cc(C)nc(n1)Nc1nc(cs1)CC(=O)Nc1ccc(cc1)[*:1]
O=S(=O)(Cc1ccc(F)cc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Cc1ccc(F)cc1)N[*:1]
O=C(N[C@H]1CCCc2nc(-c3ccccc3)ncc21)C1CCOCC1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCCc2nc(ncc21)[*:1])C1CCOCC1
O=C(N[C@H]1CCCc2nc(-c3ccccc3)ncc21)C1CCOCC1 C1CC(CCO1)[*:1] O=C(N[C@H]1CCCc2nc(ncc21)-c1ccccc1)[*:1]
COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cn1 Clc1ccc(cc1)[*:1] COc1ccc(cn1)NC(=O)[C@H](C)O[*:1]
COC[C@H](C)OC(=O)[C@H](C)Oc1ccc(F)cc1Cl COC[*:1] C[C@H](Oc1ccc(F)cc1Cl)C(=O)O[C@@H](C)[*:1]
COC[C@H](C)OC(=O)[C@H](C)Oc1ccc(F)cc1Cl COC[C@H](C)[*:1] C[C@H](Oc1ccc(F)cc1Cl)C(=O)O[*:1]
CCCn1c(=O)c2sccc2n2c(CCCC(=O)N3CCN(c4cccc(Cl)c4)CC3)nnc12 Clc1cccc(c1)[*:1] CCCn1c(=O)c2sccc2n2c(CCCC(=O)N3CCN(CC3)[*:1])nnc12
CCCn1c(=O)c2sccc2n2c(CCCC(=O)N3CCN(c4cccc(Cl)c4)CC3)nnc12 CCC[*:1] O=C(CCCc1nnc2n(c(=O)c3sccc3n12)[*:1])N1CCN(CC1)c1cccc(Cl)c1
CO[C@@H](C(=O)NC[C@H]1CCCN(c2ncccn2)C1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
CO[C@@H](C(=O)NC[C@H]1CCCN(c2ncccn2)C1)c1ccccc1 c1cnc(nc1)[*:1] CO[C@@H](C(=O)NC[C@H]1CCCN(C1)[*:1])c1ccccc1
CCOC(=O)[C@@H]1Sc2nnc(C(F)(F)F)n2N[C@@H]1c1ccc(OCC)cc1 CCOC(=O)[*:1] CCOc1ccc(cc1)[C@H]1Nn2c(nnc2C(F)(F)F)S[C@H]1[*:1]
CCOC(=O)[C@@H]1Sc2nnc(C(F)(F)F)n2N[C@@H]1c1ccc(OCC)cc1 CCOc1ccc(cc1)[*:1] CCOC(=O)[C@@H]1Sc2nnc(n2N[C@H]1[*:1])C(F)(F)F
CCOC(=O)[C@@H]1Sc2nnc(C(F)(F)F)n2N[C@@H]1c1ccc(OCC)cc1 FC(F)(F)[*:1] CCOC(=O)[C@@H]1Sc2nnc(n2N[C@@H]1c1ccc(cc1)OCC)[*:1]
CCOC(=O)[C@@H]1Sc2nnc(C(F)(F)F)n2N[C@@H]1c1ccc(OCC)cc1 CCO[*:1] CCOC(=O)[C@@H]1Sc2nnc(n2N[C@@H]1c1ccc(cc1)[*:1])C(F)(F)F
O=C1CCCN1c1ccc(C[NH2+]Cc2cccc(O)c2)cc1 Oc1cccc(c1)[*:1] O=C1CCCN1c1ccc(cc1)C[NH2+]C[*:1]
O=C1CCCN1c1ccc(C[NH2+]Cc2cccc(O)c2)cc1 O=C1CCCN1[*:1] Oc1cccc(c1)C[NH2+]Cc1ccc(cc1)[*:1]
O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)c1cccs1 O=C(C[*:1])c1cccs1 O=[N+]([O-])c1cccc(c1)-c1ccc(nn1)S[*:1]
O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)c1cccs1 O=C(c1cccs1)[*:1] O=[N+]([O-])c1cccc(c1)-c1ccc(nn1)SC[*:1]
O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)c1cccs1 c1csc(c1)[*:1] O=C(CSc1ccc(nn1)-c1cccc(c1)[N+](=O)[O-])[*:1]
O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)c1cccs1 O=[N+]([O-])[*:1] O=C(CSc1ccc(nn1)-c1cccc(c1)[*:1])c1cccs1
C[C@@H](Sc1ccccc1)C(=O)N1CCOC[C@H]1C c1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)N1CCOC[C@H]1C
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccnc2Cl)c1 Clc1ncccc1[*:1] CC[C@H](C#N)Oc1cccc(c1)CNC(=O)N[*:1]
CCNC(=O)C(C)(C)CNC(=O)Nc1ccc(C(C)=O)c(C)c1 CCNC(=O)[*:1] CC(=O)c1ccc(cc1C)NC(=O)NCC(C)(C)[*:1]
CCNC(=O)C(C)(C)CNC(=O)Nc1ccc(C(C)=O)c(C)c1 CC(=O)[*:1] CCNC(=O)C(C)(C)CNC(=O)Nc1ccc(c(C)c1)[*:1]
CCOc1ccc(F)c(C(=O)NNc2cc(F)cc(OC)c2)c1F CCO[*:1] COc1cc(F)cc(c1)NNC(=O)c1c(F)ccc(c1F)[*:1]
O=S(=O)(NC1CC[NH+](CCCC2CCCC2)CC1)c1ccccc1 C1CCC(C1)CC[*:1] O=S(=O)(NC1CC[NH+](CC1)C[*:1])c1ccccc1
O=S(=O)(NC1CC[NH+](CCCC2CCCC2)CC1)c1ccccc1 C1CCC(C1)C[*:1] O=S(=O)(NC1CC[NH+](CC1)CC[*:1])c1ccccc1
O=S(=O)(NC1CC[NH+](CCCC2CCCC2)CC1)c1ccccc1 C1CCC(C1)CCC[*:1] O=S(=O)(NC1CC[NH+](CC1)[*:1])c1ccccc1
O=S(=O)(NC1CC[NH+](CCCC2CCCC2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NC1CC[NH+](CCCC2CCCC2)CC1)[*:1]
O=S(=O)(NC1CC[NH+](CCCC2CCCC2)CC1)c1ccccc1 C1CCC(C1)[*:1] O=S(=O)(NC1CC[NH+](CCC[*:1])CC1)c1ccccc1
O=C(N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1)C1(c2cccs2)CCCC1 FC(F)(F)c1nc(no1)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)[*:1])C1(CCCC1)c1cccs1
O=C(N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1)C1(c2cccs2)CCCC1 FC(F)(F)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1])C1(CCCC1)c1cccs1
O=C(N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1)C1(c2cccs2)CCCC1 c1csc(c1)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C(F)(F)F)C1(CCCC1)[*:1]
O=C(N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1)C1(c2cccs2)CCCC1 c1csc(c1)C1(CCCC1)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C(F)(F)F)[*:1]
COCCn1c(C)cc2c(c1=O)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 c1cc2OCOc2cc1[*:1] COCCn1c(C)cc2OC(N)=C(C#N)[C@@H](c2c1=O)[*:1]
COCCn1c(C)cc2c(c1=O)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 COC[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccc4OCOc4c3)c2c(=O)n1C[*:1]
COCCn1c(C)cc2c(c1=O)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 COCC[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccc4OCOc4c3)c2c(=O)n1[*:1]
CC(=O)N1CCCN(C(=O)NCCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(=O)N1CCCN(CC1)C(=O)NCC[*:1]
CC(C)Oc1cccc(C(=O)N/N=C\c2coc3ccccc3c2=O)c1 CC(C)O[*:1] O=C(N/N=C\c1coc2ccccc2c1=O)c1cccc(c1)[*:1]
CC(C)Oc1cccc(C(=O)N/N=C\c2coc3ccccc3c2=O)c1 CC(C)[*:1] O=C(N/N=C\c1coc2ccccc2c1=O)c1cccc(c1)O[*:1]
O=C(Cc1ccccc1F)N1CCN(CN2C(=O)[C@@H]3CC[C@H]2C3)CC1 Fc1ccccc1C[*:1] O=C1[C@@H]2CC[C@@H](C2)N1CN1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccccc1F)N1CCN(CN2C(=O)[C@@H]3CC[C@H]2C3)CC1 Fc1ccccc1[*:1] O=C(C[*:1])N1CCN(CC1)CN1C(=O)[C@@H]2CC[C@H]1C2
CCC(=O)N1CCO[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 c1csc(c1)[*:1] CCC(=O)N1CCO[C@@](Cc2ccc(cc2)[*:1])(C1)C(=O)N(C)C
CCC(=O)N1CCO[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 CN(C)C(=O)[*:1] CCC(=O)N1CCO[C@](Cc2ccc(cc2)-c2cccs2)(C1)[*:1]
c1csc(-c2n[nH]cc2CNCCC[NH+]2CCCCCC2)c1 c1csc(c1)[*:1] c1[nH]nc(c1CNCCC[NH+]1CCCCCC1)[*:1]
CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 CN(C)S(=O)(=O)[*:1] CCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 CCCO[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 CCC[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)O[*:1]
CCS(=O)(=O)CCC[C@]1(C#N)CCCC(C)(C)C1=O CCS(=O)(=O)[*:1] CC1(C)CCC[C@@](C#N)(CCC[*:1])C1=O
CCS(=O)(=O)CCC[C@]1(C#N)CCCC(C)(C)C1=O CCS(=O)(=O)C[*:1] CC1(C)CCC[C@@](C#N)(CC[*:1])C1=O
C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 c1ccc2oc(cc2c1)[*:1] C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccn1
C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 c1ccc(nc1)[*:1] C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)c2cc3ccccc3o2)[C@H]1[*:1]
CC(=O)Nc1cc(NC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)ccc1F Cn1ccnc1[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(=O)Nc1cc(NC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)ccc1F CC(=O)N[*:1] Cn1ccnc1[C@@H](NC(=O)Nc1ccc(F)c(c1)[*:1])c1ccc(F)cc1
CC(=O)Nc1cc(NC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)ccc1F Fc1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)N[C@@H](c1nccn1C)[*:1]
Cc1cc(NC(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)ccn1 Cc1cc(ccn1)[*:1] CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[*:1]
Cc1cc(NC(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)ccn1 Fc1ccccc1[*:1] Cc1cc(ccn1)NC(=O)[C@@H](NS(=O)(=O)[*:1])C(C)C
Cc1cc(NC(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)ccn1 CC(C)[*:1] Cc1cc(ccn1)NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)[*:1]
CO[C@@H]1CCCC[C@@H]1OC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CO[C@@H]1CCCC[C@@H]1OC(=O)c1cnc(cn1)O[*:1]
CO[C@@H]1CCCC[C@@H]1OC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] CO[C@@H]1CCCC[C@@H]1OC(=O)c1cnc(cn1)[*:1]
Cc1ncccc1NC(=O)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ncccc1NC(=O)C(=O)NC[*:1]
Cc1ncccc1NC(=O)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1ncccc1NC(=O)C(=O)N[*:1]
CC(C)Oc1ccc(C(=O)N[C@@H](CO)C(C)C)cc1 CC(C)[*:1] CC(C)[C@H](CO)NC(=O)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C(=O)N[C@@H](CO)C(C)C)cc1 CC(C)[*:1] CC(C)Oc1ccc(cc1)C(=O)N[C@@H](CO)[*:1]
CC(C)Oc1ccc(C(=O)N[C@@H](CO)C(C)C)cc1 CC(C)[C@H](CO)[*:1] CC(C)Oc1ccc(cc1)C(=O)N[*:1]
CC(C)Oc1ccc(C(=O)N[C@@H](CO)C(C)C)cc1 CC(C)O[*:1] CC(C)[C@H](CO)NC(=O)c1ccc(cc1)[*:1]
Cc1c(C(=O)N(C)CC(C)C)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 CC(C)CN(C)C(=O)[*:1] Cc1c(sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12)[*:1]
Cc1c(C(=O)N(C)CC(C)C)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 CC(C)C[*:1] Cc1c(sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12)C(=O)N(C)[*:1]
Cc1c(C(=O)N(C)CC(C)C)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 CC(C)[*:1] Cc1c(sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12)C(=O)N(C)C[*:1]
O=C(Nc1cccc(OC2CCCC2)c1)N[C@@H]1C=C[C@H](CO)C1 C1CCC(C1)O[*:1] O=C(Nc1cccc(c1)[*:1])N[C@@H]1C=C[C@H](CO)C1
O=C(Nc1cccc(OC2CCCC2)c1)N[C@@H]1C=C[C@H](CO)C1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)O[*:1])N[C@@H]1C=C[C@H](CO)C1
C[C@@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)[*:1]
C[C@@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)c1cccnc1 Fc1ccc(cc1)[*:1] C[C@@H]([NH2+][C@H]1CCC[C@H]1[*:1])c1cccnc1
Cc1nc(NC(=O)c2ccccn2)sc1-c1nccn1C Cn1ccnc1[*:1] Cc1nc(NC(=O)c2ccccn2)sc1[*:1]
Cc1nc(NC(=O)c2ccccn2)sc1-c1nccn1C c1ccc(nc1)[*:1] Cc1nc(NC(=O)[*:1])sc1-c1nccn1C
COc1cc(NC(=O)c2ccc(N(C)C)cc2)c(Cl)cc1NC(=O)c1ccccc1 CN(C)[*:1] COc1cc(NC(=O)c2ccc(cc2)[*:1])c(Cl)cc1NC(=O)c1ccccc1
COc1cc(NC(=O)c2ccc(N(C)C)cc2)c(Cl)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(NC(=O)c2ccc(cc2)N(C)C)c(Cl)cc1NC(=O)[*:1]
COc1cc(NC(=O)c2ccc(N(C)C)cc2)c(Cl)cc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 COc1cc(NC(=O)c2ccc(cc2)N(C)C)c(Cl)cc1[*:1]
COc1cc(NC(=O)c2ccc(N(C)C)cc2)c(Cl)cc1NC(=O)c1ccccc1 CN(C)c1ccc(cc1)[*:1] COc1cc(NC(=O)[*:1])c(Cl)cc1NC(=O)c1ccccc1
Cc1ccc(NC(=O)N2CCC[C@H]2C(N)=O)cc1OC(F)F NC(=O)[*:1] Cc1ccc(cc1OC(F)F)NC(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(NC(=O)N2CCC[C@H]2C(N)=O)cc1OC(F)F FC(F)O[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CCC[C@H]1C(N)=O
Cc1ccc(NC(=O)N2CCC[C@H]2C(N)=O)cc1OC(F)F FC(F)[*:1] Cc1ccc(cc1O[*:1])NC(=O)N1CCC[C@H]1C(N)=O
CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](CC(N)=O)C2)cc1 NC(=O)[*:1] CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](C2)C[*:1])cc1
CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](CC(N)=O)C2)cc1 CNC(=O)[*:1] NC(=O)C[C@@H]1CCCN(C1)C(=O)/C=C/c1ccc(cc1)[*:1]
CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](CC(N)=O)C2)cc1 NC(=O)C[*:1] CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](C2)[*:1])cc1
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCN(CC1)C(=O)[*:1]
C=CC/N=c1\scc(-c2ccco2)n1/N=C/c1cccs1 c1coc(c1)[*:1] C=CC/N=c1\scc(n1/N=C/c1cccs1)[*:1]
C=CC/N=c1\scc(-c2ccco2)n1/N=C/c1cccs1 C=CC[*:1] C(=N/n1c(csc1=N[*:1])-c1ccco1)\c1cccs1
C=CC/N=c1\scc(-c2ccco2)n1/N=C/c1cccs1 c1csc(c1)[*:1] C=CC/N=c1\scc(-c2ccco2)n1N=C[*:1]
COC(=O)c1c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)sc2c1CCC2 COC(=O)[*:1] O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1sc2CCCc2c1[*:1]
COC(=O)c1c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)sc2c1CCC2 Clc1ccc(cc1)[*:1] COC(=O)c1c(NC(=S)NC(=O)C[*:1])sc2CCCc21
COC(=O)c1c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)sc2c1CCC2 Clc1ccc(cc1)C[*:1] COC(=O)c1c(NC(=S)NC(=O)[*:1])sc2CCCc21
COc1ccccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccccc1C(=O)NNC(=O)c1ccc(cc1)[*:1]
COc1ccccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 COc1ccccc1[*:1] CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)[*:1]
COC(=O)[C@]1(NC2CC2)CC[C@H](SC2CCCC2)C1 C1CCC(C1)S[*:1] COC(=O)[C@@]1(CC[C@H](C1)[*:1])NC1CC1
COC(=O)[C@]1(NC2CC2)CC[C@H](SC2CCCC2)C1 C1CCC(C1)[*:1] COC(=O)[C@@]1(CC[C@@H](C1)S[*:1])NC1CC1
COC(=O)[C@]1(NC2CC2)CC[C@H](SC2CCCC2)C1 COC(=O)[*:1] C1CCC(C1)S[C@H]1CC[C@](C1)(NC1CC1)[*:1]
COC(=O)[C@]1(NC2CC2)CC[C@H](SC2CCCC2)C1 C1CC1N[*:1] COC(=O)[C@@]1(CC[C@@H](C1)SC1CCCC1)[*:1]
COC(=O)[C@]1(NC2CC2)CC[C@H](SC2CCCC2)C1 C1CC1[*:1] COC(=O)[C@@]1(CC[C@@H](C1)SC1CCCC1)N[*:1]
O=S(=O)(c1ccccc1)N(CCn1cccn1)c1nccs1 c1csc(n1)[*:1] O=S(=O)(c1ccccc1)N(CCn1cccn1)[*:1]
O=S(=O)(c1ccccc1)N(CCn1cccn1)c1nccs1 c1cnn(c1)CC[*:1] O=S(=O)(c1ccccc1)N(c1nccs1)[*:1]
O=S(=O)(c1ccccc1)N(CCn1cccn1)c1nccs1 c1ccc(cc1)[*:1] O=S(=O)(N(CCn1cccn1)c1nccs1)[*:1]
O=S(=O)(c1ccccc1)N(CCn1cccn1)c1nccs1 c1cnn(c1)[*:1] O=S(=O)(c1ccccc1)N(CC[*:1])c1nccs1
O=S(=O)(c1ccccc1)N(CCn1cccn1)c1nccs1 c1cnn(c1)C[*:1] O=S(=O)(c1ccccc1)N(C[*:1])c1nccs1
COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] COc1cc(/C=C/C(=O)N2CCC[C@@H]2[*:1])cc(Cl)c1OC
COCc1nc(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)cs1 COC[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)c1csc(n1)[*:1]
COCc1nc(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)cs1 COCc1nc(cs1)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
Cc1nc2c(sc3ccccc32)c(=O)n1CC(=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] Cc1nc2c(sc3ccccc32)c(=O)n1CC(=O)N[*:1]
Cc1ccc(-c2nc(CNC[C@@H](O)c3ccc(Cl)cc3)co2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(co1)CNC[C@@H](O)[*:1]
Cc1ccc(-c2nc(CNC[C@@H](O)c3ccc(Cl)cc3)co2)cc1 Cc1ccc(cc1)[*:1] O[C@H](CNCc1coc(n1)[*:1])c1ccc(Cl)cc1
Cc1cccnc1CN(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 Cc1cccnc1[*:1] CN(C[*:1])[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21
CCc1ccsc1CNC(=O)N[C@H](CC)c1nccs1 c1csc(n1)[*:1] CCc1ccsc1CNC(=O)N[C@H](CC)[*:1]
O=C(Nc1ccccc1COc1ccccc1)N1CCN(Cc2ccncc2)CC1 c1ccc(cc1)O[*:1] O=C(Nc1ccccc1C[*:1])N1CCN(CC1)Cc1ccncc1
O=C(Nc1ccccc1COc1ccccc1)N1CCN(Cc2ccncc2)CC1 c1ccc(cc1)OC[*:1] O=C(Nc1ccccc1[*:1])N1CCN(CC1)Cc1ccncc1
O=C(Nc1ccccc1COc1ccccc1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(Nc1ccccc1COc1ccccc1)N1CCN(CC1)C[*:1]
O=C(Nc1ccccc1COc1ccccc1)N1CCN(Cc2ccncc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1CO[*:1])N1CCN(CC1)Cc1ccncc1
O=C(Nc1ccccc1COc1ccccc1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] O=C(Nc1ccccc1COc1ccccc1)N1CCN(CC1)[*:1]
CCOCCNC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 Cc1cc(C)n(n1)[*:1] CCOCCNC(=O)Nc1ccc(nc1)[*:1]
CCOCCNC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 CCOC[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)NC(=O)NC[*:1]
CCOCCNC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 CCO[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)NC(=O)NCC[*:1]
CCOCCNC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 CCOCC[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)NC(=O)N[*:1]
CCOC(=O)[C@H]1[C@@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1ccc(OC)cc12 Fc1ccc(cc1)[*:1] CCOC(=O)[C@H]1[C@@H]2NC(=S)N([C@@]1(C)Oc1ccc(cc12)OC)[*:1]
CCOC(=O)[C@H]1[C@@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1ccc(OC)cc12 CCOC(=O)[*:1] COc1ccc2O[C@@]3(C)[C@H]([C@H](NC(=S)N3c3ccc(F)cc3)c2c1)[*:1]
CCCNc1ncc(F)c(-c2ccccc2C)n1 CCCN[*:1] Cc1ccccc1-c1nc(ncc1F)[*:1]
CCCNc1ncc(F)c(-c2ccccc2C)n1 CCC[*:1] Cc1ccccc1-c1nc(ncc1F)N[*:1]
CC1(C)CCC[C@H]1[NH2+][C@H](CC(F)(F)F)c1ccccc1 FC(F)(F)C[*:1] CC1(C)CCC[C@H]1[NH2+][C@H](c1ccccc1)[*:1]
CC1(C)CCC[C@H]1[NH2+][C@H](CC(F)(F)F)c1ccccc1 FC(F)(F)[*:1] CC1(C)CCC[C@H]1[NH2+][C@H](C[*:1])c1ccccc1
CC1(C)CCC[C@H]1[NH2+][C@H](CC(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] CC1(C)CCC[C@H]1[NH2+][C@H](CC(F)(F)F)[*:1]
CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c(C)nn(C)c2Cl)ncn1 CNc1cc(ncn1)[*:1] Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCCN1[*:1]
CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c(C)nn(C)c2Cl)ncn1 Cc1nn(C)c(Cl)c1[*:1] CNc1cc(ncn1)N1CCC[C@H]1C[NH2+]C[*:1]
CCOc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C)C3=O)cc1 CCO[*:1] CN1C(=O)c2ccc(cc2S1(=O)=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1csc(CN(C)C(=O)CCOc2cc(Cl)cc(Cl)c2)n1 Cc1csc(n1)[*:1] CN(C[*:1])C(=O)CCOc1cc(Cl)cc(Cl)c1
Cc1csc(CN(C)C(=O)CCOc2cc(Cl)cc(Cl)c2)n1 Cc1csc(C[*:1])n1 CN(C(=O)CCOc1cc(Cl)cc(Cl)c1)[*:1]
Cn1cc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1C(N)=O NC(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)N1CCCc2cc(ccc21)C(=O)[O-]
Cn1cc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1C(N)=O O=C([O-])[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N1CCCc2cc(ccc21)[*:1]
C[C@@H](C(=O)[O-])[C@H](C)[S@@](=O)c1ccc(F)cc1 O=C([O-])[*:1] C[C@@H]([C@H](C)[*:1])[S@@](=O)c1ccc(F)cc1
C[C@H](SCCO)[C@@H](C)C(=O)[O-] OCC[*:1] C[C@H](S[*:1])[C@@H](C)C(=O)[O-]
C[C@H](SCCO)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H](SCCO)[C@@H](C)[*:1]
C[C@@]1(C2CCN(c3cc(C(=O)NC4CC4)ccn3)CC2)NC(=O)NC1=O O=C(NC1CC1)[*:1] C[C@]1(NC(=O)NC1=O)C1CCN(CC1)c1cc(ccn1)[*:1]
C[C@@]1(C2CCN(c3cc(C(=O)NC4CC4)ccn3)CC2)NC(=O)NC1=O C1CC1[*:1] C[C@]1(NC(=O)NC1=O)C1CCN(CC1)c1cc(ccn1)C(=O)N[*:1]
CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 CCC[*:1] N#Cc1ccc(cc1Cl)NC(=O)CSc1nc(cc(=O)[nH]1)[*:1]
CCc1ccc(C(=O)NCCOCC[NH3+])o1 [NH3+]CCO[*:1] CCc1ccc(o1)C(=O)NCC[*:1]
CCc1ccc(C(=O)NCCOCC[NH3+])o1 [NH3+]CCOC[*:1] CCc1ccc(o1)C(=O)NC[*:1]
CCc1ccc(C(=O)NCCOCC[NH3+])o1 [NH3+]CC[*:1] CCc1ccc(o1)C(=O)NCCO[*:1]
COC(=O)[C@@H](NC(=O)/C=C/C1CCOCC1)c1ccc(F)cc1F COC(=O)[*:1] O=C(/C=C/C1CCOCC1)N[C@@H](c1ccc(F)cc1F)[*:1]
COC(=O)[C@@H](NC(=O)/C=C/C1CCOCC1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)[C@@H](NC(=O)/C=C/C1CCOCC1)[*:1]
COC(=O)[C@@H](NC(=O)/C=C/C1CCOCC1)c1ccc(F)cc1F C(=C[*:1])C1CCOCC1 COC(=O)[C@@H](NC(=O)[*:1])c1ccc(F)cc1F
COC(=O)[C@@H](NC(=O)/C=C/C1CCOCC1)c1ccc(F)cc1F C1CC(CCO1)[*:1] COC(=O)[C@@H](NC(=O)C=C[*:1])c1ccc(F)cc1F
COCCN(Cc1cccnc1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 COCC[*:1] O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N(Cc1cccnc1)[*:1]
COCCN(Cc1cccnc1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 COC[*:1] O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N(Cc1cccnc1)C[*:1]
COCCN(Cc1cccnc1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] COCCN(Cc1cccnc1)C(=O)N[C@@H]1C[C@H]1[*:1]
COCCN(Cc1cccnc1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 c1cncc(c1)C[*:1] COCCN(C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)[*:1]
COCCN(Cc1cccnc1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 c1cncc(c1)[*:1] COCCN(C[*:1])C(=O)N[C@@H]1C[C@@H]1C1CCCCC1
C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1Cc1nccs1 c1csc(n1)[*:1] C[NH2+][C@H]1CC[C@@H](C[C@@H]1C[*:1])c1ccccc1
C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1Cc1nccs1 c1csc(C[*:1])n1 C[NH2+][C@H]1CC[C@@H](C[C@H]1[*:1])c1ccccc1
C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1Cc1nccs1 c1ccc(cc1)[*:1] C[NH2+][C@H]1CC[C@H](C[C@@H]1Cc1nccs1)[*:1]
C[C@H](NC(=O)N(C)CCc1ccccn1)c1cccc2ccccc12 c1ccc(nc1)[*:1] C[C@H](NC(=O)N(C)CC[*:1])c1cccc2ccccc12
C[C@H](NC(=O)N(C)CCc1ccccn1)c1cccc2ccccc12 c1ccc(C[*:1])nc1 C[C@H](NC(=O)N(C)C[*:1])c1cccc2ccccc12
C[C@H](NC(=O)N(C)CCc1ccccn1)c1cccc2ccccc12 c1ccc(CC[*:1])nc1 C[C@H](NC(=O)N(C)[*:1])c1cccc2ccccc12
Fc1ccc(CN(Cc2ccnn2[C@H]2CCCCO2)C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] Fc1ccc(cc1)CN(Cc1ccnn1[C@H]1CCCCO1)C[*:1]
Fc1ccc(CN(Cc2ccnn2[C@H]2CCCCO2)C[C@@H]2CCCO2)cc1 Fc1ccc(cc1)C[*:1] c1cc(CN(C[C@@H]2CCCO2)[*:1])n(n1)[C@H]1CCCCO1
Fc1ccc(CN(Cc2ccnn2[C@H]2CCCCO2)C[C@@H]2CCCO2)cc1 Fc1ccc(cc1)[*:1] c1cc(CN(C[C@@H]2CCCO2)C[*:1])n(n1)[C@H]1CCCCO1
Fc1ccc(CN(Cc2ccnn2[C@H]2CCCCO2)C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] Fc1ccc(cc1)CN(Cc1ccnn1[C@H]1CCCCO1)[*:1]
CCOc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3ccccc3c2=O)cc1 COc1ccccc1[*:1] CCOc1ccc(cc1)C(=O)c1cn(C[*:1])c2ccccc2c1=O
CCOc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3ccccc3c2=O)cc1 COc1ccccc1C[*:1] CCOc1ccc(cc1)C(=O)c1cn(c2ccccc2c1=O)[*:1]
CCOc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3ccccc3c2=O)cc1 CCO[*:1] COc1ccccc1Cn1cc(C(=O)c2ccc(cc2)[*:1])c(=O)c2ccccc21
CCOc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3ccccc3c2=O)cc1 CCOc1ccc(cc1)[*:1] COc1ccccc1Cn1cc(C(=O)[*:1])c(=O)c2ccccc21
Cc1cccc(N2CC[NH+](CCC(=O)NCC[C@H](C)O)CC2)c1 C[C@H](O)[*:1] Cc1cccc(c1)N1CC[NH+](CCC(=O)NCC[*:1])CC1
Cc1cccc(N2CC[NH+](CCC(=O)NCC[C@H](C)O)CC2)c1 Cc1cccc(c1)[*:1] C[C@H](O)CCNC(=O)CC[NH+]1CCN(CC1)[*:1]
Cc1cccc(N2CC[NH+](CCC(=O)NCC[C@H](C)O)CC2)c1 C[C@H](O)C[*:1] Cc1cccc(c1)N1CC[NH+](CCC(=O)NC[*:1])CC1
Cc1cccc(N2CC[NH+](CCC(=O)NCC[C@H](C)O)CC2)c1 C[C@H](O)CC[*:1] Cc1cccc(c1)N1CC[NH+](CCC(=O)N[*:1])CC1
CC[C@@H](C)NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 CC(C)[*:1] CC[C@@H](C)NC(=O)Cn1c(=O)n(CC[*:1])c(=O)c2ccccc21
CC[C@@H](C)NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 CC(C)C[*:1] CC[C@@H](C)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2ccccc21
CC[C@@H](C)NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 CC[C@@H](C)[*:1] CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
CC[C@@H](C)NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 CC[C@@H](C)NC(=O)C[*:1] CC(C)CCn1c(=O)c2ccccc2n(c1=O)[*:1]
CC[C@@H](C)NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 CC[C@@H](C)NC(=O)[*:1] CC(C)CCn1c(=O)c2ccccc2n(C[*:1])c1=O
CC[C@@H](C)NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 CC(C)CC[*:1] CC[C@@H](C)NC(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
COc1cccc([C@H](CO)NC(=O)NCC2CC2)c1 C1CC1[*:1] COc1cccc(c1)[C@H](CO)NC(=O)NC[*:1]
COc1cccc([C@H](CO)NC(=O)NCC2CC2)c1 C1CC1C[*:1] COc1cccc(c1)[C@H](CO)NC(=O)N[*:1]
CCc1ccc(O)c(NC(=O)[C@@H](C[NH3+])c2ccccc2)c1 c1ccc(cc1)[*:1] CCc1ccc(O)c(c1)NC(=O)[C@@H](C[NH3+])[*:1]
C[C@H]1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1cc2ccccc2n1C[*:1]
C[C@H]1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2)C[C@@H]1O c1ccc(cc1)C[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1cc2ccccc2n1[*:1]
COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] COc1cc(cc(c1[O-])[*:1])C[NH+]1CCN(CC1)c1ccccc1F
COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)cc([N+](=O)[O-])c1[O-] Fc1ccccc1[*:1] COc1cc(cc(c1[O-])[N+](=O)[O-])C[NH+]1CCN(CC1)[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@H](NC(=O)[*:1])C(=O)NNc1ccccc1
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NN[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNc1ccccc1 CC[C@@H](C)[*:1] O=C(N[C@H](C(=O)NNc1ccccc1)[*:1])c1ccccc1
OCCc1ccc(OC[C@H]2CO2)cc1 C1O[C@H]1C[*:1] OCCc1ccc(cc1)O[*:1]
OCCc1ccc(OC[C@H]2CO2)cc1 OCC[*:1] c1cc(ccc1OC[C@H]1CO1)[*:1]
OCCc1ccc(OC[C@H]2CO2)cc1 C1O[C@H]1[*:1] OCCc1ccc(cc1)OC[*:1]
CCCCc1[nH]c(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)c[nH+]1 O=C([O-])[*:1] CCCCc1[nH]c(c[nH+]1)CN1C[C@@H]2c3ccccc3OC[C@@]2(C1)[*:1]
CCCCc1[nH]c(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)c[nH+]1 CCC[*:1] O=C([O-])[C@]12COc3ccccc3[C@H]1CN(Cc1c[nH+]c(C[*:1])[nH]1)C2
CCCCc1[nH]c(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)c[nH+]1 CCCC[*:1] O=C([O-])[C@]12COc3ccccc3[C@H]1CN(Cc1c[nH+]c([nH]1)[*:1])C2
Cc1ccc(C)c(CC(=O)Nc2ccc(Oc3ncccn3)cc2C)c1 c1cnc(nc1)[*:1] Cc1ccc(C)c(c1)CC(=O)Nc1ccc(cc1C)O[*:1]
Cc1ccc(C)c(CC(=O)Nc2ccc(Oc3ncccn3)cc2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1cc(ccc1NC(=O)C[*:1])Oc1ncccn1
Cc1ccc(C)c(CC(=O)Nc2ccc(Oc3ncccn3)cc2C)c1 c1cnc(nc1)O[*:1] Cc1ccc(C)c(c1)CC(=O)Nc1ccc(cc1C)[*:1]
Cc1ccccc1Cn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 Cc1ccccc1C[*:1] CN(Cc1nc2ccccc2n1[*:1])C(=O)c1ccco1
Cc1ccccc1Cn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 c1coc(c1)[*:1] Cc1ccccc1Cn1c(CN(C)C(=O)[*:1])nc2ccccc21
Cc1ccccc1Cn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 CN(C(=O)c1ccco1)[*:1] Cc1ccccc1Cn1c(C[*:1])nc2ccccc21
Cc1ccccc1Cn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 Cc1ccccc1[*:1] CN(Cc1nc2ccccc2n1C[*:1])C(=O)c1ccco1
CC(C)(CNC(=O)c1ncoc1[C@H]1CCCO1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)(CNC(=O)c1ncoc1[C@H]1CCCO1)[*:1]
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 CN(C)S(=O)(=O)[*:1] CCS(=O)(=O)c1ccc(O)c(c1)NC(=O)c1ccc(cc1)[*:1]
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 CCS(=O)(=O)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1cc(ccc1O)[*:1]
NC(=O)c1cccc(OCC(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)c1 c1csc(c1)[*:1] NC(=O)c1cccc(c1)OCC(=O)N[C@@H](c1ccc2CCCCc2c1)[*:1]
NC(=O)c1cccc(OCC(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)c1 c1cc2CCCCc2cc1[*:1] NC(=O)c1cccc(c1)OCC(=O)N[C@@H](c1cccs1)[*:1]
NC(=O)c1cccc(OCC(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)c1 NC(=O)c1cccc(c1)[*:1] O=C(CO[*:1])N[C@@H](c1ccc2CCCCc2c1)c1cccs1
NC(=O)c1cccc(OCC(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)c1 NC(=O)c1cccc(c1)O[*:1] O=C(C[*:1])N[C@@H](c1ccc2CCCCc2c1)c1cccs1
NC(=O)c1cccc(OCC(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)c1 NC(=O)[*:1] O=C(COc1cccc(c1)[*:1])N[C@@H](c1ccc2CCCCc2c1)c1cccs1
CC[NH+](CC)[C@@H](CNC(=O)c1cnccn1)c1ccsc1 c1cc(cs1)[*:1] CC[NH+](CC)[C@@H](CNC(=O)c1cnccn1)[*:1]
CC[NH+](CC)[C@@H](CNC(=O)c1cnccn1)c1ccsc1 c1cnc(cn1)[*:1] CC[NH+](CC)[C@@H](CNC(=O)[*:1])c1ccsc1
CCOc1cc(/C=C2/N=C(C)OC2=O)cc(Br)c1OC CCO[*:1] COc1c(Br)cc(/C=C2/N=C(C)OC2=O)cc1[*:1]
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)[C@@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2[C@H](CCCn2n1)NC(=O)N[C@H](C)[C@@H](C)O[*:1]
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)[C@@H](C)Oc1ccccc1 c1ccc(cc1)O[*:1] Cc1nc2[C@H](CCCn2n1)NC(=O)N[C@H](C)[C@@H](C)[*:1]
O=C(OCCNc1ncccn1)[C@H]1CCOc2ccccc21 c1cnc(nc1)[*:1] O=C(OCCN[*:1])[C@H]1CCOc2ccccc21
O=C(OCCNc1ncccn1)[C@H]1CCOc2ccccc21 c1cnc(nc1)N[*:1] O=C(OCC[*:1])[C@H]1CCOc2ccccc21
COCc1c(C(=O)Nc2ccc3c(c2)C(=O)OC3)nnn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCc1c(nnn1[*:1])C(=O)Nc1ccc2COC(=O)c2c1
COCc1c(C(=O)Nc2ccc3c(c2)C(=O)OC3)nnn1-c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)-n1nnc(C(=O)Nc2ccc3COC(=O)c3c2)c1[*:1]
CC(C)C[C@H](C)OCCC(=O)/N=c1\[nH]nc2ccccn12 CC(C)C[*:1] C[C@H](OCCC(=O)/N=c1\[nH]nc2ccccn12)[*:1]
CC(C)C[C@H](C)OCCC(=O)/N=c1\[nH]nc2ccccn12 CC(C)C[C@H](C)[*:1] O=C(CCO[*:1])/N=c1\[nH]nc2ccccn12
CC(C)C[C@H](C)OCCC(=O)/N=c1\[nH]nc2ccccn12 CC(C)[*:1] C[C@@H](C[*:1])OCCC(=O)/N=c1\[nH]nc2ccccn12
CC(C)C[C@H](C)OCCC(=O)/N=c1\[nH]nc2ccccn12 CC(C)C[C@H](C)O[*:1] O=C(CC[*:1])/N=c1\[nH]nc2ccccn12
Cc1ccc(CNS(=O)(=O)c2cc(N)c(F)cc2C)cn1 Cc1ccc(cn1)[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)NC[*:1]
Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@@H]2CCCN21 c1ccc2c(cccc2c1)[*:1] Cc1cc(C)c2NC(=O)[C@@]3(c2c1)[C@@H]1C(=O)N(C(=O)[C@@H]1[C@@H]1CCCN13)[*:1]
COc1ccc2nc(NC(=O)CNC(=O)c3ccccc3C)sc2c1 Cc1ccccc1[*:1] COc1ccc2nc(NC(=O)CNC(=O)[*:1])sc2c1
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc(F)cc1C#N N#Cc1cc(F)ccc1[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc(F)cc1C#N c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)Nc1ccc(F)cc1C#N
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Nc1ccc(F)cc1C#N c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CNC(=O)Nc1ccc(F)cc1C#N)[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)NNc2ccc(F)cc2)c1 c1cn(cn1)[*:1] Cc1ccc(c(c1)C(=O)NNc1ccc(F)cc1)[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)NNc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(c(c1)C(=O)NN[*:1])-n1ccnc1
COc1ccccc1CCNC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 COc1ccccc1[*:1] CC1(C)CS(=O)(=O)N(C1=O)c1cccc(c1)C(=O)NCC[*:1]
COc1ccccc1CCNC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 COc1ccccc1C[*:1] CC1(C)CS(=O)(=O)N(C1=O)c1cccc(c1)C(=O)NC[*:1]
Cc1ccc(COc2cn(CC(=O)Nc3cc(C)on3)c(C)cc2=O)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(no1)NC(=O)Cn1cc(O[*:1])c(=O)cc1C
Cc1ccc(COc2cn(CC(=O)Nc3cc(C)on3)c(C)cc2=O)cc1 Cc1ccc(cc1)CO[*:1] Cc1cc(no1)NC(=O)Cn1cc(c(=O)cc1C)[*:1]
Cc1ccc(COc2cn(CC(=O)Nc3cc(C)on3)c(C)cc2=O)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)COc1cn(CC(=O)N[*:1])c(C)cc1=O
Cc1ccc(COc2cn(CC(=O)Nc3cc(C)on3)c(C)cc2=O)cc1 Cc1cc(no1)NC(=O)[*:1] Cc1ccc(cc1)COc1cn(C[*:1])c(C)cc1=O
Cc1ccc(COc2cn(CC(=O)Nc3cc(C)on3)c(C)cc2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)Cn1cc(OC[*:1])c(=O)cc1C
COC[C@H](C)CC(=O)N1CCC(SC)(C(N)=S)CC1 COC[C@H](C)C[*:1] CSC1(CCN(CC1)C(=O)[*:1])C(N)=S
COC[C@H](C)CC(=O)N1CCC(SC)(C(N)=S)CC1 COC[C@H](C)[*:1] CSC1(CCN(CC1)C(=O)C[*:1])C(N)=S
COC[C@H](C)CC(=O)N1CCC(SC)(C(N)=S)CC1 COC[*:1] CSC1(CCN(CC1)C(=O)C[C@@H](C)[*:1])C(N)=S
COC[C@H](C)CC(=O)N1CCC(SC)(C(N)=S)CC1 NC(=S)[*:1] COC[C@H](C)CC(=O)N1CCC(CC1)(SC)[*:1]
CCc1onc(C)c1NC(=O)N[C@H](c1nnc2n1CCC2)C(C)C C1Cc2nnc(n2C1)[*:1] CCc1onc(C)c1NC(=O)N[C@H](C(C)C)[*:1]
CCc1onc(C)c1NC(=O)N[C@H](c1nnc2n1CCC2)C(C)C CC(C)[*:1] CCc1onc(C)c1NC(=O)N[C@H](c1nnc2CCCn21)[*:1]
CCc1onc(C)c1NC(=O)N[C@H](c1nnc2n1CCC2)C(C)C CCc1onc(C)c1[*:1] CC(C)[C@H](NC(=O)N[*:1])c1nnc2CCCn21
COC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] COC[C@@H](C)[NH+]1CCN(CC1)CC(=O)N[*:1]
COC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 COC[*:1] C[C@@H]([NH+]1CCN(CC1)CC(=O)Nc1ccc(Br)cc1)[*:1]
CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCNC(=O)CC3)nc2)C1 CC(C)CC(=O)[*:1] O=C1CCN(CCN1)c1ccc(cn1)C(=O)N1CCC[C@@H](C1)[*:1]
CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCNC(=O)CC3)nc2)C1 O=C1CCN(CCN1)[*:1] CC(C)CC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(nc1)[*:1]
CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCNC(=O)CC3)nc2)C1 CC(C)C[*:1] O=C1CCN(CCN1)c1ccc(cn1)C(=O)N1CCC[C@@H](C1)C(=O)[*:1]
CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCNC(=O)CC3)nc2)C1 CC(C)[*:1] O=C1CCN(CCN1)c1ccc(cn1)C(=O)N1CCC[C@@H](C1)C(=O)C[*:1]
CCn1cc(C2CC[NH+](Cc3ccc(F)cc3C)CC2)cn1 CCn1cc(cn1)[*:1] Cc1cc(F)ccc1C[NH+]1CCC(CC1)[*:1]
COc1cc([C@@H](C)NC(=O)Nc2ccc(C)c(F)c2)cc(OC)c1OC Cc1ccc(cc1F)[*:1] COc1cc(cc(OC)c1OC)[C@@H](C)NC(=O)N[*:1]
CCCc1nc(C)c(C(=O)Nc2ccnn2Cc2ccc(C)o2)s1 Cc1ccc(o1)[*:1] CCCc1nc(C)c(s1)C(=O)Nc1ccnn1C[*:1]
CCCc1nc(C)c(C(=O)Nc2ccnn2Cc2ccc(C)o2)s1 CCC[*:1] Cc1ccc(Cn2nccc2NC(=O)c2sc(nc2C)[*:1])o1
CCCc1nc(C)c(C(=O)Nc2ccnn2Cc2ccc(C)o2)s1 Cc1ccc(C[*:1])o1 CCCc1nc(C)c(s1)C(=O)Nc1ccnn1[*:1]
FC(F)(F)CCN(Cc1cnc(-c2cccnc2)s1)C1CCCCC1 C1CCC(CC1)[*:1] FC(F)(F)CCN(Cc1cnc(s1)-c1cccnc1)[*:1]
FC(F)(F)CCN(Cc1cnc(-c2cccnc2)s1)C1CCCCC1 FC(F)(F)[*:1] c1cncc(c1)-c1ncc(CN(CC[*:1])C2CCCCC2)s1
FC(F)(F)CCN(Cc1cnc(-c2cccnc2)s1)C1CCCCC1 c1cncc(c1)[*:1] FC(F)(F)CCN(Cc1cnc(s1)[*:1])C1CCCCC1
FC(F)(F)CCN(Cc1cnc(-c2cccnc2)s1)C1CCCCC1 FC(F)(F)C[*:1] c1cncc(c1)-c1ncc(CN(C[*:1])C2CCCCC2)s1
FC(F)(F)CCN(Cc1cnc(-c2cccnc2)s1)C1CCCCC1 FC(F)(F)CC[*:1] c1cncc(c1)-c1ncc(CN(C2CCCCC2)[*:1])s1
O=C(CSc1nc2ccccc2s1)N1CCC(C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] O=C(CSc1nc2ccccc2s1)N1CCC(CC1)[*:1]
O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCC1 C1CC(C1)[*:1] O=C(NCc1ccccc1C[NH+]1CCCC1)[*:1]
CN(Cc1cc2ccccc2o1)C(=O)NNC(=O)C(C)(C)C CC(C)(C)[*:1] CN(Cc1cc2ccccc2o1)C(=O)NNC(=O)[*:1]
COc1ccc(OC(=O)Cc2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)OC(=O)C[*:1]
Cc1csc(NC(=O)c2cccc(CSc3nccn3C)c2)n1 Cn1ccnc1[*:1] Cc1csc(n1)NC(=O)c1cccc(c1)CS[*:1]
Cc1csc(NC(=O)c2cccc(CSc3nccn3C)c2)n1 Cc1csc(n1)[*:1] Cn1ccnc1SCc1cccc(c1)C(=O)N[*:1]
Cc1csc(NC(=O)c2cccc(CSc3nccn3C)c2)n1 Cn1ccnc1S[*:1] Cc1csc(n1)NC(=O)c1cccc(c1)C[*:1]
C[C@@H](NC(=O)NCCOCC(F)(F)F)c1nnc2ccccn12 FC(F)(F)[*:1] C[C@@H](NC(=O)NCCOC[*:1])c1nnc2ccccn12
C[C@@H](NC(=O)NCCOCC(F)(F)F)c1nnc2ccccn12 FC(F)(F)CO[*:1] C[C@@H](NC(=O)NCC[*:1])c1nnc2ccccn12
C[C@@H](NC(=O)NCCOCC(F)(F)F)c1nnc2ccccn12 FC(F)(F)COC[*:1] C[C@@H](NC(=O)NC[*:1])c1nnc2ccccn12
C[C@@H](NC(=O)NCCOCC(F)(F)F)c1nnc2ccccn12 FC(F)(F)C[*:1] C[C@@H](NC(=O)NCCO[*:1])c1nnc2ccccn12
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(Nc1ccccc1-c1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 O=[N+]([O-])[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1Cl)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 CC(C)C(=O)N[*:1] O=C(Nc1ccc(cc1Cl)[N+](=O)[O-])c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1Cl)[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)sc1C Cc1nc(sc1C)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1F
Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)sc1C Fc1ccccc1[*:1] Cc1nc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])sc1C
COc1ccccc1N1CCN(C(=O)Nc2nc(Cc3ccccc3)n[nH]2)CC1 c1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)Nc1nc(C[*:1])n[nH]1
COc1ccccc1N1CCN(C(=O)Nc2nc(Cc3ccccc3)n[nH]2)CC1 COc1ccccc1[*:1] O=C(Nc1nc(Cc2ccccc2)n[nH]1)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C(=O)Nc2nc(Cc3ccccc3)n[nH]2)CC1 c1ccc(cc1)C[*:1] COc1ccccc1N1CCN(CC1)C(=O)Nc1nc(n[nH]1)[*:1]
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C2CC=CC2)cc1F CCOC(=O)[*:1] C[C@H](NC(=O)c1ccc(cc1F)NC(=O)C1CC=CC1)[*:1]
CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C2CC=CC2)cc1F CCOC(=O)[C@H](C)[*:1] O=C(N[*:1])c1ccc(cc1F)NC(=O)C1CC=CC1
COc1ccc(-c2n[nH]cc2[C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1 COc1ccc(cc1)[*:1] NC1=Nc2nc3cc4OCCCOc4cc3n2[C@H](N1)c1c[nH]nc1[*:1]
C/C=C/C(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC c1ccc(cc1)[*:1] C/C=C/C(=O)Nc1cc(ccc1OC)S(=O)(=O)N(CC)[*:1]
C/C=C/C(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC CC=C[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(c1)NC(=O)[*:1]
C/C=C/C(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC C/C=C/C(=O)N[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(c1)[*:1]
COc1nccnc1N1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 COc1nccnc1[*:1] Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C1)[*:1]
CCCNC(=O)[C@@H]1CCCN(c2nnnn2-c2ccccc2)C1 CCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nnnn1-c1ccccc1
CCCNC(=O)[C@@H]1CCCN(c2nnnn2-c2ccccc2)C1 CCCNC(=O)[*:1] c1ccc(cc1)-n1nnnc1N1CCC[C@H](C1)[*:1]
CCCNC(=O)[C@@H]1CCCN(c2nnnn2-c2ccccc2)C1 c1ccc(cc1)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)c1nnnn1[*:1]
Cc1oc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1CN1CCOCC1 c1ccc2[nH]c(nc2c1)[*:1] Cc1oc(cc1CN1CCOCC1)C(=O)N1CCC[C@H]1[*:1]
Cc1oc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1CN1CCOCC1 C1CN(CCO1)[*:1] Cc1oc(cc1C[*:1])C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1
Cc1oc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1CN1CCOCC1 C1CN(CCO1)C[*:1] Cc1oc(cc1[*:1])C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[*:1]
COCC/[NH+]=C(\N)SCC(=O)N1CCCc2ccccc21 COCC[*:1] NC(=[NH+][*:1])SCC(=O)N1CCCc2ccccc21
COCC/[NH+]=C(\N)SCC(=O)N1CCCc2ccccc21 COC[*:1] N/C(=[NH+]\C[*:1])SCC(=O)N1CCCc2ccccc21
CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O CNC(=O)[*:1] O=C1[C@H](CCCN1Cc1ccccc1)NC(=O)N1CCC[C@@H]1[*:1]
CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCCN(C1=O)[*:1]
CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCCN(C[*:1])C1=O
Cc1cc(F)cc(N[C@H](C(N)=O)[C@H](C)c2ccccc2)c1 NC(=O)[*:1] Cc1cc(F)cc(c1)N[C@H]([C@H](C)c1ccccc1)[*:1]
Cc1cc(F)cc(N[C@H](C(N)=O)[C@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(F)cc(c1)N[C@H](C(N)=O)[C@H](C)[*:1]
O=C(NCCCCl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ClCC[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
O=C(NCCCCl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ClCCC[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CC[C@]2(O)CCCC[C@H]2C1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N1CC[C@]2(O)CCCC[C@H]2C1
CN(C)C(=O)Sc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] CN(C)C(=O)S[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1[*:1]
CN(C)C(=O)Sc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C)C(=O)Sc1ccccc1NC(=O)/C=C/c1ccccc1[*:1]
CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCCO2)ccc1C C1CO[C@@H](C1)[*:1] CNS(=O)(=O)c1cc(ccc1C)NC(=O)[*:1]
CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCCO2)ccc1C CNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H]1CCCO1
CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 CC(=O)N[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)Nc1ccc(Cl)cc1[*:1]
COC(=O)CCC[NH+]1CCCC1 COC(=O)[*:1] C1CC[NH+](C1)CCC[*:1]
Cc1sc(Br)cc1S(=O)(=O)NCc1ccc[nH]1 c1c[nH]c(c1)[*:1] Cc1sc(Br)cc1S(=O)(=O)NC[*:1]
CN(C)c1c(Cl)cccc1NC(=O)N1CCCN(c2nccs2)CC1 CN(C)[*:1] O=C(Nc1cccc(Cl)c1[*:1])N1CCCN(CC1)c1nccs1
CN(C)c1c(Cl)cccc1NC(=O)N1CCCN(c2nccs2)CC1 c1csc(n1)[*:1] CN(C)c1c(Cl)cccc1NC(=O)N1CCCN(CC1)[*:1]
CO[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 c1ccc(cc1)[*:1] CO[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H]2O[C@@H](OC[C@@H]2O1)[*:1]
CO[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 O=C(O[*:1])c1ccccc1 CO[C@@H]1C[C@H]([C@H]2O[C@H](OC[C@@H]2O1)c1ccccc1)[*:1]
CO[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 c1ccc(cc1)[*:1] CO[C@@H]1C[C@H](OC(=O)[*:1])[C@H]2O[C@H](OC[C@@H]2O1)c1ccccc1
CCC(CC)NC(=O)CN1CCN(c2cccc(C)c2C)CC1 CCC(CC)[*:1] Cc1cccc(c1C)N1CCN(CC1)CC(=O)N[*:1]
C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2nnn[n-]2)o1 C[C@@H]1C[C@H]1[*:1] CN(Cc1ccc(o1)[*:1])C(=O)c1nnn[n-]1
CCCN(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CCCN(C)C(=O)C[C@@](C)(C(=O)[O-])[*:1]
CCCN(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 CCC[*:1] CN(C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)[*:1]
CCCN(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CCCN(C)C(=O)C[C@@](C)(c1ccccc1)[*:1]
O=C(c1cnn(-c2ccccc2)n1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1cnn(n1)-c1ccccc1)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
O=C(c1cnn(-c2ccccc2)n1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 c1ccc(cc1)[*:1] O=C(c1cnn(n1)[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1cccs1
CC(C)[C@H]([NH2+][C@H]1CCCS[C@H]1C)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H]([NH2+][C@H]1CCCS[C@H]1C)[*:1]
CC(C)[C@H]([NH2+][C@H]1CCCS[C@H]1C)C(=O)[O-] CC(C)[*:1] C[C@@H]1SCCC[C@@H]1[NH2+][C@H](C(=O)[O-])[*:1]
CC(C)(C)OCc1cccc(CNC(=O)C(=O)Nc2cccnc2)c1 CC(C)(C)[*:1] O=C(NCc1cccc(c1)CO[*:1])C(=O)Nc1cccnc1
CC(C)(C)OCc1cccc(CNC(=O)C(=O)Nc2cccnc2)c1 CC(C)(C)OC[*:1] O=C(NCc1cccc(c1)[*:1])C(=O)Nc1cccnc1
CC(C)(C)OCc1cccc(CNC(=O)C(=O)Nc2cccnc2)c1 c1cncc(c1)[*:1] CC(C)(C)OCc1cccc(c1)CNC(=O)C(=O)N[*:1]
CC(C)(C)OCc1cccc(CNC(=O)C(=O)Nc2cccnc2)c1 CC(C)(C)O[*:1] O=C(NCc1cccc(c1)C[*:1])C(=O)Nc1cccnc1
COc1cccc2cc(C(=O)NS(=O)(=O)N(C)Cc3ccccc3)oc12 c1ccc(cc1)[*:1] COc1cccc2cc(oc12)C(=O)NS(=O)(=O)N(C)C[*:1]
COc1cccc2cc(C(=O)NS(=O)(=O)N(C)Cc3ccccc3)oc12 c1ccc(cc1)C[*:1] COc1cccc2cc(oc12)C(=O)NS(=O)(=O)N(C)[*:1]
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)c1cnn2c1N=C(C[C@H]2[*:1])C(=O)[O-]
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=Nc2c(cnn21)C(=O)N[*:1])C(=O)[O-]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)C1 N#Cc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(CNC(=O)N2CCOC[C@@H]2CC(=O)N2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(C[C@H]1COCCN1C(=O)NC[*:1])N1CCCC1
COc1ccc(CNC(=O)N2CCOC[C@@H]2CC(=O)N2CCCC2)cc1 O=C(C[*:1])N1CCCC1 COc1ccc(cc1)CNC(=O)N1CCOC[C@H]1[*:1]
COc1ccc(CNC(=O)N2CCOC[C@@H]2CC(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] COc1ccc(cc1)CNC(=O)N1CCOC[C@@H]1C[*:1]
Cc1cc(NC(=O)[C@@H](C)O/N=C(/N)Cc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@@H](C)O/N=C(/N)C[*:1]
Cc1cc(NC(=O)[C@@H](C)O/N=C(/N)Cc2ccccc2)no1 c1ccc(cc1)C[*:1] Cc1cc(no1)NC(=O)[C@@H](C)O/N=C(/N)[*:1]
Cc1cc(NC(=O)[C@@H](C)O/N=C(/N)Cc2ccccc2)no1 Cc1cc(no1)[*:1] C[C@@H](O/N=C(/N)Cc1ccccc1)C(=O)N[*:1]
Cc1cc(C(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)c(C)o1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)NCCn2cnc(cc2=O)[*:1])c(C)o1
Cc1cc(C(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NCCn1cnc(cc1=O)-c1ccc(F)cc1)[*:1]
C=CCn1c(C)cc(C(=O)CN2CC[S@@](=O)C(C)(C)C2)c1C C=CC[*:1] Cc1cc(C(=O)CN2CC[S@@](=O)C(C)(C)C2)c(C)n1[*:1]
COc1ccccc1N1CCN(C(=O)CCSCc2ccccc2F)CC1 Fc1ccccc1C[*:1] COc1ccccc1N1CCN(CC1)C(=O)CCS[*:1]
COc1ccccc1N1CCN(C(=O)CCSCc2ccccc2F)CC1 COc1ccccc1[*:1] O=C(CCSCc1ccccc1F)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C(=O)CCSCc2ccccc2F)CC1 Fc1ccccc1[*:1] COc1ccccc1N1CCN(CC1)C(=O)CCSC[*:1]
COc1ccccc1N1CCN(C(=O)CCSCc2ccccc2F)CC1 Fc1ccccc1CS[*:1] COc1ccccc1N1CCN(CC1)C(=O)CC[*:1]
CC[C@@H](C)N(C)S(=O)(=O)c1ccc(N)cc1Cl CC[C@@H](C)[*:1] CN(S(=O)(=O)c1ccc(N)cc1Cl)[*:1]
O=C(NCc1ccccc1-n1ccnc1)c1cnc2ccc(F)cc2c1 c1cn(cn1)[*:1] O=C(NCc1ccccc1[*:1])c1cnc2ccc(F)cc2c1
CCn1nc(-c2nn3c(-c4cccc(F)c4)nnc3s2)cc1C Fc1cccc(c1)[*:1] CCn1nc(cc1C)-c1nn2c(nnc2s1)[*:1]
Cc1c(C(=O)/C=C/c2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 N#Cc1ccc(cc1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)C=C[*:1]
Cc1c(C(=O)/C=C/c2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)/C=C/c1ccc(C#N)cc1
Cc1ccccc1OCc1nc2cc(C(=O)[O-])ccc2n1C[C@H](C)O Cc1ccccc1O[*:1] C[C@H](O)Cn1c(C[*:1])nc2cc(ccc21)C(=O)[O-]
Cc1ccccc1OCc1nc2cc(C(=O)[O-])ccc2n1C[C@H](C)O C[C@H](O)C[*:1] Cc1ccccc1OCc1nc2cc(ccc2n1[*:1])C(=O)[O-]
Cc1ccccc1OCc1nc2cc(C(=O)[O-])ccc2n1C[C@H](C)O Cc1ccccc1[*:1] C[C@H](O)Cn1c(CO[*:1])nc2cc(ccc21)C(=O)[O-]
Cc1ccccc1OCc1nc2cc(C(=O)[O-])ccc2n1C[C@H](C)O O=C([O-])[*:1] Cc1ccccc1OCc1nc2cc(ccc2n1C[C@H](C)O)[*:1]
CCc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)CCSC)cc1 CSC[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)N(C)[C@@H](C)C[*:1]
CCc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)CCSC)cc1 CSCC[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)N(C)[C@@H](C)[*:1]
Cc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cnn(C)c3)C2=O)c1 Cc1cccc(c1)[*:1] Cn1cc(cn1)[C@]1(C)NC(=O)N(CC(=O)NC[*:1])C1=O
Cc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cnn(C)c3)C2=O)c1 Cc1cccc(c1)C[*:1] Cn1cc(cn1)[C@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
Cc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cnn(C)c3)C2=O)c1 Cn1cc(cn1)[*:1] Cc1cccc(c1)CNC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1cccc2nc(C[NH+]3CCC(OCc4ccccc4F)CC3)cn12 Fc1ccccc1[*:1] Cc1cccc2nc(cn12)C[NH+]1CCC(CC1)OC[*:1]
Cc1cccc2nc(C[NH+]3CCC(OCc4ccccc4F)CC3)cn12 Fc1ccccc1C[*:1] Cc1cccc2nc(cn12)C[NH+]1CCC(CC1)O[*:1]
O=C(CCCc1cccs1)N1CCC[C@H](c2nc[nH]n2)C1 c1csc(c1)CC[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1nc[nH]n1
O=C(CCCc1cccs1)N1CCC[C@H](c2nc[nH]n2)C1 c1csc(c1)[*:1] O=C(CCC[*:1])N1CCC[C@@H](C1)c1nc[nH]n1
O=C(CCCc1cccs1)N1CCC[C@H](c2nc[nH]n2)C1 c1nc(n[nH]1)[*:1] O=C(CCCc1cccs1)N1CCC[C@H](C1)[*:1]
O=C(CCCc1cccs1)N1CCC[C@H](c2nc[nH]n2)C1 c1csc(c1)C[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)c1nc[nH]n1
O=C(c1cc2c(s1)CCCC2)N(Cc1ccncc1)Cc1cccnc1 c1cncc(c1)C[*:1] O=C(c1cc2CCCCc2s1)N(Cc1ccncc1)[*:1]
O=C(c1cc2c(s1)CCCC2)N(Cc1ccncc1)Cc1cccnc1 c1cc(ccn1)C[*:1] O=C(c1cc2CCCCc2s1)N(Cc1cccnc1)[*:1]
O=C(c1cc2c(s1)CCCC2)N(Cc1ccncc1)Cc1cccnc1 c1cc(ccn1)[*:1] O=C(c1cc2CCCCc2s1)N(Cc1cccnc1)C[*:1]
O=C(c1cc2c(s1)CCCC2)N(Cc1ccncc1)Cc1cccnc1 c1cncc(c1)[*:1] O=C(c1cc2CCCCc2s1)N(Cc1ccncc1)C[*:1]
COCCCC(=O)N1CCN(CC[NH3+])CC1 COC[*:1] [NH3+]CCN1CCN(CC1)C(=O)CC[*:1]
COCCCC(=O)N1CCN(CC[NH3+])CC1 COCC[*:1] [NH3+]CCN1CCN(CC1)C(=O)C[*:1]
COCCCC(=O)N1CCN(CC[NH3+])CC1 [NH3+]CC[*:1] COCCCC(=O)N1CCN(CC1)[*:1]
COCCCC(=O)N1CCN(CC[NH3+])CC1 COCCC[*:1] [NH3+]CCN1CCN(CC1)C(=O)[*:1]
Cc1ccc([C@H](C)OC(=O)Cn2ncc3ccccc3c2=O)cc1 Cc1ccc(cc1)[*:1] C[C@H](OC(=O)Cn1ncc2ccccc2c1=O)[*:1]
Cc1cc(CN2CCN(C(=O)/C=C/c3ccccc3)CC2)no1 Cc1cc(C[*:1])no1 O=C(/C=C/c1ccccc1)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)/C=C/c3ccccc3)CC2)no1 c1ccc(cc1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)C=C[*:1])no1
Cc1cc(CN2CCN(C(=O)/C=C/c3ccccc3)CC2)no1 Cc1cc(no1)[*:1] O=C(/C=C/c1ccccc1)N1CCN(CC1)C[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)Cc2cc(F)ccc2F)n1 Cc1cc(C)n(n1)[*:1] O=C(Cc1cc(F)ccc1F)Nc1ccccc1[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)Cc2cc(F)ccc2F)n1 Fc1ccc(F)c(c1)[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)C[*:1]
CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc(F)c(F)c(F)c2)c1 CN(C)C(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1cc(F)c(F)c(F)c1
Cn1ncc(N2CCN(c3ccc(O)cc3)CC2)c(Cl)c1=O Oc1ccc(cc1)[*:1] Cn1ncc(c(Cl)c1=O)N1CCN(CC1)[*:1]
CN[C@]1(C#N)CC[C@H](N2CC[NH+](CC(C)C)CC2)C1 CC(C)[*:1] CN[C@]1(C#N)CC[C@@H](C1)N1CC[NH+](CC1)C[*:1]
CN[C@]1(C#N)CC[C@H](N2CC[NH+](CC(C)C)CC2)C1 CC(C)C[*:1] CN[C@]1(C#N)CC[C@@H](C1)N1CC[NH+](CC1)[*:1]
Cc1cc(C(=O)N2CCN(C[C@@H](O)c3cccc(F)c3)CC2)on1 Cc1cc(on1)[*:1] O=C(N1CCN(CC1)C[C@@H](O)c1cccc(F)c1)[*:1]
Cc1cc(C(=O)N2CCN(C[C@@H](O)c3cccc(F)c3)CC2)on1 Fc1cccc(c1)[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)C[C@@H](O)[*:1]
NC(=O)c1cccc(CNS(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] NC(=O)c1cccc(c1)CNS(=O)(=O)[*:1]
NC(=O)c1cccc(CNS(=O)(=O)c2ccccc2)c1 NC(=O)[*:1] O=S(=O)(NCc1cccc(c1)[*:1])c1ccccc1
CC(C)c1[nH+]ccn1CC[C@H]1CCC[C@@]1(N)C#N CC(C)[*:1] N#C[C@]1(N)CCC[C@@H]1CCn1cc[nH+]c1[*:1]
CCC[C@@H](C#N)NC(=O)c1cccnc1SCc1ccc(F)cc1 CCC[*:1] N#C[C@@H](NC(=O)c1cccnc1SCc1ccc(F)cc1)[*:1]
CCC[C@@H](C#N)NC(=O)c1cccnc1SCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCC[C@@H](C#N)NC(=O)c1cccnc1SC[*:1]
CCC[C@@H](C#N)NC(=O)c1cccnc1SCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCC[C@@H](C#N)NC(=O)c1cccnc1S[*:1]
C[C@H](Nc1ncc(Br)cn1)c1cccc(N2CCCC2=O)c1 Brc1cnc(nc1)[*:1] C[C@H](N[*:1])c1cccc(c1)N1CCCC1=O
C[C@H](Nc1ncc(Br)cn1)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@H](Nc1ncc(Br)cn1)c1cccc(c1)[*:1]
COc1ncccc1CS(=O)(=O)[C@H](C)C(=O)[O-] O=C([O-])[*:1] COc1ncccc1CS(=O)(=O)[C@H](C)[*:1]
CC[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)[*:1]
Cc1nnsc1-c1nnc2sc(C(F)(F)F)nn12 FC(F)(F)[*:1] Cc1nnsc1-c1nnc2sc(nn12)[*:1]
Cc1nnsc1-c1nnc2sc(C(F)(F)F)nn12 Cc1nnsc1[*:1] FC(F)(F)c1nn2c(nnc2s1)[*:1]
COc1ccccc1/C=C/C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)[*:1] COc1ccccc1/C=C/C(=O)N(C[*:1])[C@@H]1CCSC1
COc1ccccc1/C=C/C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)C[*:1] COc1ccccc1/C=C/C(=O)N([C@@H]1CCSC1)[*:1]
COc1ccccc1/C=C/C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 COc1ccccc1[*:1] O=C(C=C[*:1])N(C[C@H]1CCCO1)[C@@H]1CCSC1
CCc1nn(C)cc1NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CCc1nn(C)cc1NC(=O)/C=C/c1ccc(cc1)[*:1]
CCc1nn(C)cc1NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 CCc1nn(C)cc1[*:1] O=C(/C=C/c1ccc(cc1)N1CCCC1=O)N[*:1]
CC(C)[C@H](C)NC(=O)N[C@@H](c1nc(-c2ccncc2)no1)C(C)C CC(C)[*:1] CC(C)[C@@H](NC(=O)N[C@@H](C)[*:1])c1nc(no1)-c1ccncc1
CC(C)[C@H](C)NC(=O)N[C@@H](c1nc(-c2ccncc2)no1)C(C)C CC(C)[C@H](C)[*:1] CC(C)[C@@H](NC(=O)N[*:1])c1nc(no1)-c1ccncc1
CC(C)[C@H](C)NC(=O)N[C@@H](c1nc(-c2ccncc2)no1)C(C)C CC(C)[*:1] CC(C)[C@H](C)NC(=O)N[C@@H](c1nc(no1)-c1ccncc1)[*:1]
CC(C)[C@H](C)NC(=O)N[C@@H](c1nc(-c2ccncc2)no1)C(C)C c1cc(ccn1)[*:1] CC(C)[C@H](C)NC(=O)N[C@@H](c1nc(no1)[*:1])C(C)C
COCC(=O)N[C@H](C(=O)Nc1ccc(-n2ccnc2)c(F)c1)C(C)C CC(C)[*:1] COCC(=O)N[C@H](C(=O)Nc1ccc(c(F)c1)-n1ccnc1)[*:1]
COCC(=O)N[C@H](C(=O)Nc1ccc(-n2ccnc2)c(F)c1)C(C)C COCC(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1ccc(c(F)c1)-n1ccnc1)[*:1]
COCC(=O)N[C@H](C(=O)Nc1ccc(-n2ccnc2)c(F)c1)C(C)C COC[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1ccc(c(F)c1)-n1ccnc1
COCC(=O)N[C@H](C(=O)Nc1ccc(-n2ccnc2)c(F)c1)C(C)C c1cn(cn1)[*:1] COCC(=O)N[C@H](C(=O)Nc1ccc(c(F)c1)[*:1])C(C)C
Cc1ccc2cc(-c3noc(C)n3)c(N[C@@H](C)c3ccccc3)nc2c1 c1ccc(cc1)[*:1] Cc1ccc2cc(-c3noc(C)n3)c(nc2c1)N[C@@H](C)[*:1]
Cc1ccc2cc(-c3noc(C)n3)c(N[C@@H](C)c3ccccc3)nc2c1 C[C@@H](c1ccccc1)[*:1] Cc1ccc2cc(-c3noc(C)n3)c(nc2c1)N[*:1]
Cc1ccc2cc(-c3noc(C)n3)c(N[C@@H](C)c3ccccc3)nc2c1 Cc1nc(no1)[*:1] Cc1ccc2cc(c(nc2c1)N[C@@H](C)c1ccccc1)[*:1]
Cc1csc(-c2ccc(OS(=O)(=O)c3cc(F)ccc3F)cc2)n1 Fc1ccc(F)c(c1)[*:1] Cc1csc(n1)-c1ccc(cc1)OS(=O)(=O)[*:1]
Cc1csc(-c2ccc(OS(=O)(=O)c3cc(F)ccc3F)cc2)n1 Cc1csc(n1)[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1cc(F)ccc1F
C[C@H](N[C@H]1CCN(C)C1=O)c1cccc(OCC(=O)N(C)C)c1 CN1CC[C@@H](C1=O)[*:1] C[C@H](N[*:1])c1cccc(c1)OCC(=O)N(C)C
C[C@H](N[C@H]1CCN(C)C1=O)c1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)CO[*:1] C[C@H](N[C@H]1CCN(C)C1=O)c1cccc(c1)[*:1]
C[C@H](N[C@H]1CCN(C)C1=O)c1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] C[C@H](N[C@H]1CCN(C)C1=O)c1cccc(c1)O[*:1]
C[C@H](N[C@H]1CCN(C)C1=O)c1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@H](N[C@H]1CCN(C)C1=O)c1cccc(c1)OC[*:1]
CC(C)(C)C(=O)N1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 c1cnn(c1)[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)C[*:1]
CC(C)(C)C(=O)N1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 c1cnn(c1)C[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC(C)(C)C(=O)N1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 CC(C)(C)[*:1] O=C(c1ccc(cc1)Cn1cccn1)N1CCCN(CC1)C(=O)[*:1]
[NH3+]CCCN(C(=O)NC1CCCC1)C1CCCCCC1 C1CCC(C1)[*:1] [NH3+]CCCN(C(=O)N[*:1])C1CCCCCC1
COc1cccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)c1 c1csc(c1)[*:1] COc1cccc(c1)S(=O)(=O)Nc1ccc2CCN(Cc2c1)C(=O)[*:1]
COc1cccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)c1 COc1cccc(c1)[*:1] O=C(c1cccs1)N1CCc2ccc(cc2C1)NS(=O)(=O)[*:1]
COc1ccc(C[NH+](C)CC(=O)NCc2cc(F)cc(F)c2)cc1 COc1ccc(cc1)[*:1] C[NH+](CC(=O)NCc1cc(F)cc(F)c1)C[*:1]
COc1ccc(C[NH+](C)CC(=O)NCc2cc(F)cc(F)c2)cc1 Fc1cc(F)cc(c1)[*:1] COc1ccc(cc1)C[NH+](C)CC(=O)NC[*:1]
CC(C)NC(=O)c1ccc(N(C)CC[C@H](C)O)c([N+](=O)[O-])c1 CC(C)NC(=O)[*:1] C[C@H](O)CCN(C)c1ccc(cc1[N+](=O)[O-])[*:1]
CC(C)NC(=O)c1ccc(N(C)CC[C@H](C)O)c([N+](=O)[O-])c1 C[C@H](O)[*:1] CC(C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)CC[*:1]
CC(C)NC(=O)c1ccc(N(C)CC[C@H](C)O)c([N+](=O)[O-])c1 C[C@H](O)CCN(C)[*:1] CC(C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC(C)NC(=O)c1ccc(N(C)CC[C@H](C)O)c([N+](=O)[O-])c1 C[C@H](O)C[*:1] CC(C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C[*:1]
CC(C)NC(=O)c1ccc(N(C)CC[C@H](C)O)c([N+](=O)[O-])c1 CC(C)[*:1] C[C@H](O)CCN(C)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
CC(C)NC(=O)c1ccc(N(C)CC[C@H](C)O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)NC(=O)c1ccc(c(c1)[*:1])N(C)CC[C@H](C)O
Cc1ccc(NC(=O)NCc2ccnc(OCC3CC3)c2)s1 C1CC1[*:1] Cc1ccc(NC(=O)NCc2ccnc(c2)OC[*:1])s1
Cc1ccc(NC(=O)NCc2ccnc(OCC3CC3)c2)s1 C1CC1C[*:1] Cc1ccc(NC(=O)NCc2ccnc(c2)O[*:1])s1
Cc1ccc(NC(=O)NCc2ccnc(OCC3CC3)c2)s1 Cc1ccc(s1)[*:1] O=C(NCc1ccnc(c1)OCC1CC1)N[*:1]
Cc1ccc(NC(=O)NCc2ccnc(OCC3CC3)c2)s1 C1CC1CO[*:1] Cc1ccc(NC(=O)NCc2ccnc(c2)[*:1])s1
C=C[C@@H](CC(=O)Nc1c(C)cccc1C(=O)OC)c1ccccc1 c1ccc(cc1)[*:1] C=C[C@@H](CC(=O)Nc1c(C)cccc1C(=O)OC)[*:1]
C=C[C@@H](CC(=O)Nc1c(C)cccc1C(=O)OC)c1ccccc1 COC(=O)[*:1] C=C[C@@H](CC(=O)Nc1c(C)cccc1[*:1])c1ccccc1
Cc1cccc(NC(=O)c2c(NC(=O)C[NH2+]CC(C)C)sc3c2CCC3)c1 Cc1cccc(c1)[*:1] CC(C)C[NH2+]CC(=O)Nc1sc2CCCc2c1C(=O)N[*:1]
Cc1cccc(NC(=O)c2c(NC(=O)C[NH2+]CC(C)C)sc3c2CCC3)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)c1c(NC(=O)C[NH2+]C[*:1])sc2CCCc21
Cc1cc(N2CCC[C@@](CCCc3ccccn3)(C(N)=O)C2)ncn1 NC(=O)[*:1] Cc1cc(ncn1)N1CCC[C@@](CCCc2ccccn2)(C1)[*:1]
Cc1cc(N2CCC[C@@](CCCc3ccccn3)(C(N)=O)C2)ncn1 c1ccc(C[*:1])nc1 Cc1cc(ncn1)N1CCC[C@](CC[*:1])(C1)C(N)=O
Cc1cc(N2CCC[C@@](CCCc3ccccn3)(C(N)=O)C2)ncn1 c1ccc(CC[*:1])nc1 Cc1cc(ncn1)N1CCC[C@@](C1)(C[*:1])C(N)=O
Cc1cc(N2CCC[C@@](CCCc3ccccn3)(C(N)=O)C2)ncn1 c1ccc(nc1)[*:1] Cc1cc(ncn1)N1CCC[C@](CCC[*:1])(C1)C(N)=O
Cc1cc(N2CCC[C@@](CCCc3ccccn3)(C(N)=O)C2)ncn1 Cc1cc(ncn1)[*:1] NC(=O)[C@]1(CCCc2ccccn2)CCCN(C1)[*:1]
Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1C Clc1ccc(s1)[*:1] Cc1cccc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c1C
Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1)[*:1]
CC(C)OC(=O)CSc1nnc(N)s1 CC(C)[*:1] Nc1nnc(SCC(=O)O[*:1])s1
O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N[*:1]
C[C@@](O)(CNC(=O)c1cccnc1Cl)c1ccc(F)cc1F Clc1ncccc1[*:1] C[C@@](O)(CNC(=O)[*:1])c1ccc(F)cc1F
Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)COC[C@@H]4CCCO4)CC3)noc2n1 FC(F)(F)[*:1] Cc1cc(c2c(noc2n1)C1CCN(CC1)C(=O)COC[C@@H]1CCCO1)[*:1]
CSc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CSc1ccc(cc1)NC(=O)[C@H](C)O[*:1]
CC[C@@]1(c2ccc(Cl)cc2)C[NH+]=C(N)N1CC1CC1 C1CC1C[*:1] CC[C@]1(C[NH+]=C(N)N1[*:1])c1ccc(Cl)cc1
CC[C@@]1(c2ccc(Cl)cc2)C[NH+]=C(N)N1CC1CC1 C1CC1[*:1] CC[C@]1(C[NH+]=C(N)N1C[*:1])c1ccc(Cl)cc1
CCn1nc(C)c2[nH]c(=S)n(CC[C@@H]3CCC[C@@H](C)C3)c21 C[C@@H]1CCC[C@H](C1)[*:1] CCn1nc(C)c2[nH]c(=S)n(CC[*:1])c21
CC1CCN(S(=O)(=O)c2ccc(-c3noc(CCC(=O)Nc4cccc(F)c4)n3)cc2)CC1 O=C(Nc1cccc(F)c1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1noc(CC[*:1])n1
CC1CCN(S(=O)(=O)c2ccc(-c3noc(CCC(=O)Nc4cccc(F)c4)n3)cc2)CC1 Fc1cccc(c1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1noc(CCC(=O)N[*:1])n1
CC1CCN(S(=O)(=O)c2ccc(-c3noc(CCC(=O)Nc4cccc(F)c4)n3)cc2)CC1 CC1CCN(CC1)S(=O)(=O)[*:1] O=C(CCc1nc(no1)-c1ccc(cc1)[*:1])Nc1cccc(F)c1
CC1CCN(S(=O)(=O)c2ccc(-c3noc(CCC(=O)Nc4cccc(F)c4)n3)cc2)CC1 O=C(C[*:1])Nc1cccc(F)c1 CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1noc(C[*:1])n1
O=S(=O)(NCc1cc2n(n1)CCC[NH2+]C2)c1cc(Cl)c(Cl)s1 Clc1cc(sc1Cl)[*:1] O=S(=O)(NCc1cc2C[NH2+]CCCn2n1)[*:1]
CNC(=O)CC1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2C)CC1 Cc1ccccc1[*:1] CNC(=O)CC1CCN(CC1)C(=O)N[C@H](CC(C)C)[*:1]
CNC(=O)CC1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2C)CC1 CNC(=O)[*:1] Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2C)CC1 CC(C)C[*:1] CNC(=O)CC1CCN(CC1)C(=O)N[C@H](c1ccccc1C)[*:1]
CNC(=O)CC1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2C)CC1 CNC(=O)C[*:1] Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2C)CC1 CC(C)[*:1] CNC(=O)CC1CCN(CC1)C(=O)N[C@H](C[*:1])c1ccccc1C
COc1ccccc1NC(=O)COc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 COc1ccccc1NC(=O)[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)N1CCOCC1)OC[*:1]
COc1ccccc1NC(=O)COc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 C1CN(CCO1)[*:1] COc1ccccc1NC(=O)COc1nc(c2COC(C)(C)Cc2c1C#N)[*:1]
COc1ccccc1NC(=O)COc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 COc1ccccc1[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)N1CCOCC1)OCC(=O)N[*:1]
Cc1nc(C)c(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)o1 Cc1nc(C)c(o1)[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)-n1ccnc1
Cc1nc(C)c(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)o1 c1cn(cn1)[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
C[C@@H](CN1CCCCCCC1=O)C(N)=S C[C@@H](C(N)=S)[*:1] O=C1CCCCCCN1C[*:1]
C[C@@H](CN1CCCCCCC1=O)C(N)=S NC(=S)[*:1] C[C@@H](CN1CCCCCCC1=O)[*:1]
Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])[C@H]1Cc2ccccc2CN1C(=O)c1ccco1
Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[*:1]
COCCOc1ccccc1CN1CCN(c2cccc(F)c2C#N)CC1 COC[*:1] N#Cc1c(F)cccc1N1CCN(CC1)Cc1ccccc1OC[*:1]
COCCOc1ccccc1CN1CCN(c2cccc(F)c2C#N)CC1 COCCO[*:1] N#Cc1c(F)cccc1N1CCN(CC1)Cc1ccccc1[*:1]
COCCOc1ccccc1CN1CCN(c2cccc(F)c2C#N)CC1 COCC[*:1] N#Cc1c(F)cccc1N1CCN(CC1)Cc1ccccc1O[*:1]
COCCOc1ccccc1CN1CCN(c2cccc(F)c2C#N)CC1 N#Cc1c(F)cccc1[*:1] COCCOc1ccccc1CN1CCN(CC1)[*:1]
CCC[NH2+][C@H](C1CCOCC1)[C@@H]1CN(CCC)CCO1 C1CC(CCO1)[*:1] CCC[NH2+][C@H]([C@@H]1CN(CCC)CCO1)[*:1]
CCC[NH2+][C@H](C1CCOCC1)[C@@H]1CN(CCC)CCO1 CCC[*:1] CCCN1CCO[C@@H](C1)[C@H]([NH2+][*:1])C1CCOCC1
CCC[NH2+][C@H](C1CCOCC1)[C@@H]1CN(CCC)CCO1 CCC[*:1] CCC[NH2+][C@H](C1CCOCC1)[C@@H]1CN(CCO1)[*:1]
O=C(CCCn1ccnn1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 c1cn(C[*:1])nn1 O=C(CC[*:1])Nc1cc(Cl)ccc1C(=O)N1CCCCC1
O=C(CCCn1ccnn1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 c1cn(CC[*:1])nn1 O=C(C[*:1])Nc1cc(Cl)ccc1C(=O)N1CCCCC1
O=C(CCCn1ccnn1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 c1cn(nn1)[*:1] O=C(CCC[*:1])Nc1cc(Cl)ccc1C(=O)N1CCCCC1
O=C(CCCn1ccnn1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 c1cn(CCC[*:1])nn1 O=C(c1ccc(Cl)cc1NC(=O)[*:1])N1CCCCC1
O=C(CCCn1ccnn1)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(CCCn1ccnn1)Nc1cc(Cl)ccc1[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2sccc2C)C1 CCNS(=O)(=O)[*:1] Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC[C@@H](C1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2sccc2C)C1 Cc1ccsc1[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)[C@H]1C[C@H]1[*:1]
C[C@H](CC1CC1)NC(=O)NC[C@](C)(O)c1cnn(C)c1 C1CC1C[*:1] C[C@H](NC(=O)NC[C@](C)(O)c1cnn(C)c1)[*:1]
C[C@H](CC1CC1)NC(=O)NC[C@](C)(O)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](CC1CC1)NC(=O)NC[C@](C)(O)[*:1]
C[C@H](CC1CC1)NC(=O)NC[C@](C)(O)c1cnn(C)c1 C1CC1[*:1] C[C@H](C[*:1])NC(=O)NC[C@](C)(O)c1cnn(C)c1
C[C@H](CC1CC1)NC(=O)NC[C@](C)(O)c1cnn(C)c1 C[C@H](CC1CC1)[*:1] Cn1cc(cn1)[C@@](C)(O)CNC(=O)N[*:1]
CS[C@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)C1 c1cnn(c1)[*:1] CS[C@H]1CCC[C@@H](C1)NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
C=CCN(C(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1 C=CC[*:1] O=C(c1cc(F)c(F)c(F)c1F)N(c1ccccc1)[*:1]
C=CCN(C(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)c1cc(F)c(F)c(F)c1F)[*:1]
CC(C)(C[NH2+]Cc1cnn(-c2ccccc2)n1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(C[NH2+]Cc1cnn(n1)-c1ccccc1)[*:1]
CC(C)(C[NH2+]Cc1cnn(-c2ccccc2)n1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] c1ccc(cc1)-n1ncc(C[NH2+]C[*:1])n1
CC(C)(C[NH2+]Cc1cnn(-c2ccccc2)n1)S(C)(=O)=O c1ccc(cc1)[*:1] CC(C)(C[NH2+]Cc1cnn(n1)[*:1])S(C)(=O)=O
O=C(CSc1nnc(C2CC2)n1C1CC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CSc1nnc(C2CC2)n1C1CC1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(CSc1nnc(C2CC2)n1C1CC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1
O=C(CSc1nnc(C2CC2)n1C1CC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C(CSc1nnc(C2CC2)n1[*:1])N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1
CC(C)NC(=O)CSc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1 CC(C)NC(=O)[*:1] Brc1ccc(/C=N/Nc2nc(n[nH]2)SC[*:1])cc1
CC(C)NC(=O)CSc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] CC(C)NC(=O)CSc1n[nH]c(n1)NN=C[*:1]
CC(C)NC(=O)CSc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1 CC(C)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1ccc(Br)cc1)N[*:1]
CC(C)NC(=O)CSc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1 CC(C)NC(=O)C[*:1] Brc1ccc(/C=N/Nc2nc(n[nH]2)S[*:1])cc1
CCS(=O)(=O)CCn1ccc([C@@H](C)[NH2+]C)c1 CCS(=O)(=O)[*:1] C[NH2+][C@H](C)c1ccn(c1)CC[*:1]
CCc1cccc(S(=O)(=O)NCc2csc(N(C)C)n2)c1 CN(C)[*:1] CCc1cccc(c1)S(=O)(=O)NCc1csc(n1)[*:1]
O=C(CSC1=[NH+]CCN1)Nc1cccc(Cl)c1N1CCCCC1 C1CCN(CC1)[*:1] O=C(CSC1NCC[NH+]=1)Nc1cccc(Cl)c1[*:1]
COc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)Cn3cccn3)C2)c1 c1cnn(c1)C[*:1] COc1cccc(c1)Oc1nccnc1[C@H]1CCCN(C1)C(=O)[*:1]
COc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)Cn3cccn3)C2)c1 COc1cccc(c1)[*:1] O=C(Cn1cccn1)N1CCC[C@@H](C1)c1nccnc1O[*:1]
COc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)Cn3cccn3)C2)c1 COc1cccc(c1)O[*:1] O=C(Cn1cccn1)N1CCC[C@@H](C1)c1nccnc1[*:1]
COc1cccc(Oc2nccnc2[C@H]2CCCN(C(=O)Cn3cccn3)C2)c1 c1cnn(c1)[*:1] COc1cccc(c1)Oc1nccnc1[C@H]1CCCN(C1)C(=O)C[*:1]
CC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)cc1 CC(=O)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(Cl)cc2)C1 CCOC(=O)[*:1] O=C(NCc1ccc(Cl)cc1)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)NC[*:1]
COCC[NH2+]CC(=O)N[C@H]1CC[C@H](C)[C@@H](C)C1 COC[*:1] C[C@H]1CC[C@@H](C[C@@H]1C)NC(=O)C[NH2+]C[*:1]
COCC[NH2+]CC(=O)N[C@H]1CC[C@H](C)[C@@H](C)C1 COCC[*:1] C[C@H]1CC[C@@H](C[C@@H]1C)NC(=O)C[NH2+][*:1]
O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 C1CC1[*:1] O=C(c1ccc(Cl)c(c1)S(=O)(=O)N[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 O=c1[nH]c2ccccc2n1[*:1] O=C(c1ccc(Cl)c(c1)S(=O)(=O)NC1CC1)N1CCC(CC1)[*:1]
O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 O=S(=O)(NC1CC1)[*:1] O=C(c1ccc(Cl)c(c1)[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
CC(=O)Nc1cccc(C2=NN(C(C)=O)[C@@](C)(c3ccc4ccccc4c3)O2)c1 CC(=O)N[*:1] CC(=O)N1N=C(O[C@]1(C)c1ccc2ccccc2c1)c1cccc(c1)[*:1]
O=C(Cc1cccnc1)N[C@@H]1CCC[C@@H]1Oc1ccccc1 c1cncc(c1)[*:1] O=C(C[*:1])N[C@@H]1CCC[C@@H]1Oc1ccccc1
O=C(Cc1cccnc1)N[C@@H]1CCC[C@@H]1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(Cc1cccnc1)N[C@@H]1CCC[C@H]1[*:1]
O=C(Cc1cccnc1)N[C@@H]1CCC[C@@H]1Oc1ccccc1 c1cncc(c1)C[*:1] O=C(N[C@@H]1CCC[C@@H]1Oc1ccccc1)[*:1]
O=C(Cc1cccnc1)N[C@@H]1CCC[C@@H]1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cccnc1)N[C@@H]1CCC[C@@H]1O[*:1]
CC(C)[C@@H](O)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](O)CCNC(=O)c1c[nH]nc1[*:1]
CC(C)[C@@H](O)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 CC(C)[C@@H](O)C[*:1] O=C(NC[*:1])c1c[nH]nc1-c1ccc(F)cc1
CC(C)[C@@H](O)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 CC(C)[C@@H](O)[*:1] O=C(NCC[*:1])c1c[nH]nc1-c1ccc(F)cc1
CC(C)[C@@H](O)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 CC(C)[C@@H](O)CC[*:1] O=C(N[*:1])c1c[nH]nc1-c1ccc(F)cc1
CC(C)[C@@H](O)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 CC(C)[*:1] O=C(NCC[C@H](O)[*:1])c1c[nH]nc1-c1ccc(F)cc1
Cc1cc(C)c2c(c1)CCCN2C(=O)CCc1c(C)noc1C Cc1noc(C)c1[*:1] Cc1cc(C)c2c(c1)CCCN2C(=O)CC[*:1]
C[NH+]1CCN(c2ccc(CNC(=O)c3cc[n+]([O-])cc3)cn2)CC1 [O-][n+]1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1CCN1CCOCC1 C1CN(CCO1)C[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1C[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1CCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1CCN1CCOCC1 c1csc(c1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1CCN1CCOCC1)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1CCN1CCOCC1 C1CN(CCO1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1CC[*:1]
CCOC(=O)c1cccc(N[C@@H]2CC[C@H](SCC)C2)n1 CCOC(=O)[*:1] CCS[C@H]1CC[C@H](C1)Nc1cccc(n1)[*:1]
CCOC(=O)c1cccc(N[C@@H]2CC[C@H](SCC)C2)n1 CCS[*:1] CCOC(=O)c1cccc(n1)N[C@@H]1CC[C@H](C1)[*:1]
Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 Cc1noc(C)c1C[*:1] CN(C(=O)C(=O)Nc1cccc(c1)-c1ncon1)[*:1]
Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 c1nc(no1)[*:1] Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 Cc1noc(C)c1[*:1] CN(C[*:1])C(=O)C(=O)Nc1cccc(c1)-c1ncon1
COc1ccc(-n2c(SCC(=O)NCC(F)(F)F)nc3ccccc32)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-n1c(nc2ccccc21)SCC(=O)NC[*:1]
COc1ccc(-n2c(SCC(=O)NCC(F)(F)F)nc3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2n1[*:1])NCC(F)(F)F
COc1ccc(-n2c(SCC(=O)NCC(F)(F)F)nc3ccccc32)cc1 O=C(C[*:1])NCC(F)(F)F COc1ccc(cc1)-n1c(nc2ccccc21)S[*:1]
COc1ccc(-n2c(SCC(=O)NCC(F)(F)F)nc3ccccc32)cc1 O=C(NCC(F)(F)F)[*:1] COc1ccc(cc1)-n1c(nc2ccccc21)SC[*:1]
COc1ccc(-n2c(SCC(=O)NCC(F)(F)F)nc3ccccc32)cc1 FC(F)(F)C[*:1] COc1ccc(cc1)-n1c(nc2ccccc21)SCC(=O)N[*:1]
CCC[NH+]1Cc2cccc(NC(=O)C(=O)N3CCN(c4nccs4)CC3)c2C1 c1csc(n1)[*:1] CCC[NH+]1Cc2cccc(NC(=O)C(=O)N3CCN(CC3)[*:1])c2C1
CC(=O)N1CCCC[C@H]1c1ccc(Nc2cnccn2)nc1 c1cnc(cn1)[*:1] CC(=O)N1CCCC[C@H]1c1ccc(nc1)N[*:1]
CC(=O)N1CCCC[C@H]1c1ccc(Nc2cnccn2)nc1 c1cnc(cn1)N[*:1] CC(=O)N1CCCC[C@H]1c1ccc(nc1)[*:1]
CC[C@H]([NH3+])c1ccc(O[C@H]2CCO[C@@]3(CCSC3)C2)cc1 CC[C@H]([NH3+])[*:1] c1cc(ccc1O[C@H]1CCO[C@@]2(CCSC2)C1)[*:1]
CN(c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1 CN(C1CC1)[*:1] O=C([O-])c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN(c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1 O=[N+]([O-])[*:1] CN(c1ccc(cc1[*:1])C(=O)[O-])C1CC1
CN(c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1 O=C([O-])[*:1] CN(c1ccc(cc1[N+](=O)[O-])[*:1])C1CC1
CN(c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1 C1CC1[*:1] CN(c1ccc(cc1[N+](=O)[O-])C(=O)[O-])[*:1]
O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCc2ccccc21)N1CCN(CC1)C[*:1]
O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCc2ccccc21)N1CCN(CC1)[*:1]
O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)/N=C1/N=N[C@@H]([C@@H]2CCCO2)S1 Clc1cccc(c1)[*:1] O=C(CNC(=O)N1CCN(CC1)[*:1])/N=C1/N=N[C@H](S1)[C@@H]1CCCO1
CC(C)(C)[NH2+]Cc1nc2cc(Br)ccc2o1 CC(C)(C)[*:1] Brc1ccc2oc(C[NH2+][*:1])nc2c1
Cn1c(=O)c2c(SCC(=O)NCc3ccc(F)cc3)nc(C3CCCC3)nc2n(C)c1=O Fc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)C1CCCC1)SCC(=O)NC[*:1]
Cn1c(=O)c2c(SCC(=O)NCc3ccc(F)cc3)nc(C3CCCC3)nc2n(C)c1=O Fc1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)C1CCCC1)SCC(=O)N[*:1]
Cn1c(=O)c2c(SCC(=O)NCc3ccc(F)cc3)nc(C3CCCC3)nc2n(C)c1=O C1CCC(C1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)[*:1])SCC(=O)NCc1ccc(F)cc1
CC[C@@H](C(=O)Nc1ccc2c(c1)C(=[N+](CC)CC)Nc1ccccc1O2)c1ccccc1 CC[C@@H](c1ccccc1)[*:1] CC[N+](CC)=C1Nc2ccccc2Oc2ccc(cc21)NC(=O)[*:1]
CC[C@@H](C(=O)Nc1ccc2c(c1)C(=[N+](CC)CC)Nc1ccccc1O2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccc2Oc3ccccc3NC(c2c1)=[N+](CC)CC)[*:1]
CC1(C)CCSC[C@@H]1Nc1ccccc1-n1ccnc1 c1cn(cn1)[*:1] CC1(C)CCSC[C@@H]1Nc1ccccc1[*:1]
CC(C)[C@H]1CN(C2C(C)(C)C2(C)C)[C@H](C(C)C)C[NH2+]1 CC(C)[*:1] CC(C)[C@@H]1C[NH2+][C@H](CN1C1C(C)(C)C1(C)C)[*:1]
CC(C)[C@H]1CN(C2C(C)(C)C2(C)C)[C@H](C(C)C)C[NH2+]1 CC(C)[*:1] CC(C)[C@H]1CN(C2C(C)(C)C2(C)C)[C@H](C[NH2+]1)[*:1]
Cc1nn(CCC(=O)NCc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1nn(CCC(=O)NCc2ccc(Cl)cc2)c(C)c1[*:1]
Cc1nn(CCC(=O)NCc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCOCC1 Clc1ccc(cc1)C[*:1] Cc1nn(CCC(=O)N[*:1])c(C)c1S(=O)(=O)N1CCOCC1
Cc1nn(CCC(=O)NCc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCOCC1 Clc1ccc(cc1)[*:1] Cc1nn(CCC(=O)NC[*:1])c(C)c1S(=O)(=O)N1CCOCC1
CC(=O)Nc1ccc(NC(=O)CCc2ccc3nc[nH]c3c2)cc1 CC(=O)N[*:1] O=C(CCc1ccc2nc[nH]c2c1)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)Nc1cccn(C)c1=O)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H](NC(=O)Nc1cccn(C)c1=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)Nc1cccn(C)c1=O)c1ccc(-c2cncnc2)cc1 Cn1cccc(c1=O)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)-c1cncnc1
Cc1cc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)ccc1Br c1csc(c1)[*:1] Cc1cc(ccc1Br)NC(=O)c1cccc(c1)S(=O)(=O)NC[*:1]
Cc1cc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)NCc1cccs1
Cc1cc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)ccc1Br c1csc(c1)C[*:1] Cc1cc(ccc1Br)NC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
Cc1nnc(NC(=O)NC[C@H](C(C)C)N2CCOCC2)s1 Cc1nnc(s1)[*:1] CC(C)[C@@H](CNC(=O)N[*:1])N1CCOCC1
Cc1nnc(NC(=O)NC[C@H](C(C)C)N2CCOCC2)s1 CC(C)[*:1] Cc1nnc(NC(=O)NC[C@H](N2CCOCC2)[*:1])s1
Cc1nnc(NC(=O)NC[C@H](C(C)C)N2CCOCC2)s1 C1CN(CCO1)[*:1] Cc1nnc(NC(=O)NC[C@H](C(C)C)[*:1])s1
CC(C)N1CCC[C@@H](C[NH3+])[C@@H]1c1ccccc1C1CC1 C1CC1[*:1] CC(C)N1CCC[C@@H](C[NH3+])[C@@H]1c1ccccc1[*:1]
CC(C)N1CCC[C@@H](C[NH3+])[C@@H]1c1ccccc1C1CC1 CC(C)[*:1] [NH3+]C[C@@H]1CCCN([C@H]1c1ccccc1C1CC1)[*:1]
CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2c(F)ccc(Cl)c2F)CN1C CCNC(=O)[*:1] CN1C[C@H](C[C@H]1[*:1])NC(=O)Cc1c(F)ccc(Cl)c1F
CC[NH2+][C@@H](C=C(C)C)C1(N2CCOCC2)CCCC1 CC(C)=C[*:1] CC[NH2+][C@@H](C1(CCCC1)N1CCOCC1)[*:1]
CC[NH2+][C@@H](C=C(C)C)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] CC[NH2+][C@@H](C=C(C)C)C1(CCCC1)[*:1]
CCCn1c2ccc(Cl)cc2c2nnc(N/N=C/c3ccccc3)nc21 CCC[*:1] Clc1ccc2c(c1)c1nnc(nc1n2[*:1])N/N=C/c1ccccc1
CCCn1c2ccc(Cl)cc2c2nnc(N/N=C/c3ccccc3)nc21 c1ccc(cc1)[*:1] CCCn1c2ccc(Cl)cc2c2nnc(nc21)NN=C[*:1]
CCO[C@H](C)c1nc(C)c(CC[NH3+])s1 [NH3+]CC[*:1] CCO[C@H](C)c1nc(C)c(s1)[*:1]
CCO[C@H](C)c1nc(C)c(CC[NH3+])s1 CCO[*:1] Cc1nc(sc1CC[NH3+])[C@@H](C)[*:1]
CCCn1nnnc1COc1ccnc2cc(OC)ccc12 CCC[*:1] COc1ccc2c(ccnc2c1)OCc1nnnn1[*:1]
CCOc1ccccc1CCC(=O)Nc1ccc2c(c1)OCO2 CCO[*:1] O=C(CCc1ccccc1[*:1])Nc1ccc2OCOc2c1
CCCNc1nc([C@H]2CSCCO2)nc(CCC)c1Br CCC[*:1] CCCNc1nc(nc(c1Br)[*:1])[C@H]1CSCCO1
CCCNc1nc([C@H]2CSCCO2)nc(CCC)c1Br CCCN[*:1] CCCc1nc(nc(c1Br)[*:1])[C@H]1CSCCO1
CCCNc1nc([C@H]2CSCCO2)nc(CCC)c1Br CCC[*:1] CCCc1nc(nc(N[*:1])c1Br)[C@H]1CSCCO1
CCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 CCCC[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
CCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 CCC[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)C[*:1]
CCSC1(SCC)[NH+]=C(N)[C@@]2(C#N)[C@@H](c3ccccc3)[NH2+]C(C)=C[C@]12C#N c1ccc(cc1)[*:1] CCSC1([NH+]=C(N)[C@@]2(C#N)[C@@H]([NH2+]C(C)=C[C@]12C#N)[*:1])SCC
CCSC1(SCC)[NH+]=C(N)[C@@]2(C#N)[C@@H](c3ccccc3)[NH2+]C(C)=C[C@]12C#N CCS[*:1] CCSC1([NH+]=C(N)[C@@]2(C#N)[C@H]([NH2+]C(C)=C[C@]12C#N)c1ccccc1)[*:1]
C/C(=N/NC(=O)[C@H](O)c1ccccc1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CC(=NNC(=O)[C@H](O)c1ccccc1)[*:1]
C/C(=N/NC(=O)[C@H](O)c1ccccc1)c1cccc(Br)c1 c1ccc(cc1)[*:1] C/C(=N/NC(=O)[C@H](O)[*:1])c1cccc(Br)c1
C[C@@H]1CN(C)c2ccccc2CN1C(=O)Cn1ccnc1 c1cn(cn1)[*:1] C[C@@H]1CN(C)c2ccccc2CN1C(=O)C[*:1]
C[C@@H]1CN(C)c2ccccc2CN1C(=O)Cn1ccnc1 c1cn(cn1)C[*:1] C[C@@H]1CN(C)c2ccccc2CN1C(=O)[*:1]
Cc1cc(Br)ccc1C(=O)Nc1cnn(CCO)c1 OCC[*:1] Cc1cc(Br)ccc1C(=O)Nc1cnn(c1)[*:1]
Cc1cnccc1CN[C@@H]1[C@H]2CCC[C@@H]2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1cnccc1CN[C@@H]1[C@H]2CCC[C@@H]2[C@@H]1[*:1]
Cc1cnccc1CN[C@@H]1[C@H]2CCC[C@@H]2[C@H]1c1ccccc1 Cc1cnccc1[*:1] c1ccc(cc1)[C@@H]1[C@H]2CCC[C@@H]2[C@H]1NC[*:1]
COc1ccc(-n2c(C)nnc2SCC(=O)N2CCc3ccccc32)cc1 COc1ccc(cc1)[*:1] Cc1nnc(SCC(=O)N2CCc3ccccc32)n1[*:1]
Cc1cc(C#N)cc(C)c1OC(=O)[C@H]1CCCN(CC(F)(F)F)C1 FC(F)(F)[*:1] Cc1cc(C#N)cc(C)c1OC(=O)[C@H]1CCCN(C1)C[*:1]
Cc1cc(C#N)cc(C)c1OC(=O)[C@H]1CCCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] Cc1cc(C#N)cc(C)c1OC(=O)[C@H]1CCCN(C1)[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nccs1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](NC(=O)[*:1])C(=O)Nc1nccs1
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nccs1 CC[C@@H](C)[*:1] O=C(N[C@@H](C(=O)Nc1nccs1)[*:1])c1ccccc1
COC(=O)c1c(C)c(C(=O)[C@H](C)N(Cc2ccco2)C(C)=O)c(C)n1C COC(=O)[*:1] CC(=O)N(Cc1ccco1)[C@@H](C)C(=O)c1c(C)c(n(C)c1C)[*:1]
COC(=O)c1c(C)c(C(=O)[C@H](C)N(Cc2ccco2)C(C)=O)c(C)n1C c1coc(c1)[*:1] COC(=O)c1c(C)c(C(=O)[C@H](C)N(C[*:1])C(C)=O)c(C)n1C
COC(=O)c1c(C)c(C(=O)[C@H](C)N(Cc2ccco2)C(C)=O)c(C)n1C c1coc(c1)C[*:1] COC(=O)c1c(C)c(C(=O)[C@H](C)N(C(C)=O)[*:1])c(C)n1C
N#CCCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CCCSc1nnc(-c2ccc(F)cc2)n1[*:1]
N#CCCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 N#CC[*:1] Fc1ccc(cc1)-c1nnc(SC[*:1])n1-c1ccc(F)cc1
N#CCCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 N#CCCS[*:1] Fc1ccc(cc1)-c1nnc(n1-c1ccc(F)cc1)[*:1]
N#CCCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 N#CCC[*:1] Fc1ccc(cc1)-c1nnc(S[*:1])n1-c1ccc(F)cc1
N#CCCSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CCCSc1nnc(n1-c1ccc(F)cc1)[*:1]
COCCn1cc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cn1 COCC[*:1] O=C(Nc1cnn(c1)[*:1])N1CCCCC[C@H]1c1ccccc1
COCCn1cc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cn1 COC[*:1] O=C(Nc1cnn(c1)C[*:1])N1CCCCC[C@H]1c1ccccc1
COCCn1cc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cn1 c1ccc(cc1)[*:1] COCCn1cc(cn1)NC(=O)N1CCCCC[C@@H]1[*:1]
CC(C)(C)[NH2+]CC(=O)N[C@](C)(C(=O)[O-])C1CC1 O=C([O-])[*:1] CC(C)(C)[NH2+]CC(=O)N[C@](C)(C1CC1)[*:1]
CC(C)(C)[NH2+]CC(=O)N[C@](C)(C(=O)[O-])C1CC1 CC(C)(C)[*:1] C[C@@](NC(=O)C[NH2+][*:1])(C(=O)[O-])C1CC1
CC(C)(C)[NH2+]CC(=O)N[C@](C)(C(=O)[O-])C1CC1 C1CC1[*:1] CC(C)(C)[NH2+]CC(=O)N[C@](C)(C(=O)[O-])[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)Nc1nncs1 c1nnc(s1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)N[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)Nc1nncs1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])Nc1nncs1
CCC[C@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1nnc2ccccn12 C1CC1[*:1] CCC[C@H](NC(=O)N(C1CC1)[C@H](C)[*:1])c1nnc2ccccn12
CCC[C@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1nnc2ccccn12 C[C@H](C1CC1)[*:1] CCC[C@H](NC(=O)N(C1CC1)[*:1])c1nnc2ccccn12
CCC[C@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1nnc2ccccn12 CCC[*:1] C[C@H](C1CC1)N(C(=O)N[C@H](c1nnc2ccccn12)[*:1])C1CC1
CCC[C@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1nnc2ccccn12 C1CC1[*:1] CCC[C@H](NC(=O)N([C@H](C)C1CC1)[*:1])c1nnc2ccccn12
COc1cc(OC)c(CNC(=O)/C=C/c2ccc(C)c(Cl)c2)c(OC)c1 Cc1ccc(cc1Cl)[*:1] COc1cc(OC)c(CNC(=O)C=C[*:1])c(c1)OC
CC(C)[C@H]1CC[C@H]([NH3+])[C@H](Sc2ccncc2)C1 CC(C)[*:1] [NH3+][C@H]1CC[C@@H](C[C@H]1Sc1ccncc1)[*:1]
COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1Cl Clc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)CCc1csc(n1)NC(=O)[*:1]
COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(CCc1csc(n1)NC(=O)c1ccc(Cl)cc1)N[*:1]
Cc1ccccc1[C@@H](NCCc1nnc(-c2ccccc2)o1)C1CC1 c1ccc(cc1)[*:1] Cc1ccccc1[C@@H](NCCc1nnc(o1)[*:1])C1CC1
Cc1ccccc1[C@@H](NCCc1nnc(-c2ccccc2)o1)C1CC1 C1CC1[*:1] Cc1ccccc1[C@@H](NCCc1nnc(o1)-c1ccccc1)[*:1]
Cc1ccccc1[C@@H](NCCc1nnc(-c2ccccc2)o1)C1CC1 Cc1ccccc1[*:1] c1ccc(cc1)-c1nnc(CCN[C@@H](C2CC2)[*:1])o1
C[C@]1(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)CCCO1 C[C@@]1(CCCO1)[*:1] O=C([O-])c1ccc(cc1O)NC(=O)[*:1]
C[C@]1(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)CCCO1 O=C([O-])[*:1] C[C@@]1(CCCO1)C(=O)Nc1ccc(c(O)c1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](O)c1c(F)cccc1F C[C@H]1CCCC[C@H]1[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)N[*:1]
Cc1ccc2cccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2n1 c1ccc(cc1)C[*:1] Cc1ccc2cccc(c2n1)S(=O)(=O)NC1CC[NH+](CC1)[*:1]
Cc1ccc2cccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2n1 c1ccc(cc1)[*:1] Cc1ccc2cccc(c2n1)S(=O)(=O)NC1CC[NH+](CC1)C[*:1]
CC(C)(C)/C=C/N1N=NC(c2ccccc2)(c2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)(C)/C=C/N1N=NC(C1=O)(c1ccccc1)[*:1]
CC(C)(C)/C=C/N1N=NC(c2ccccc2)(c2ccccc2)C1=O CC(C)(C)[*:1] O=C1N(C=C[*:1])N=NC1(c1ccccc1)c1ccccc1
CC(=O)[C@H](C)Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=O)[C@H](C)Cc1ccccc1[*:1]
CC(=O)[C@H](C)Cc1ccccc1[N+](=O)[O-] CC(=O)[*:1] C[C@H](Cc1ccccc1[N+](=O)[O-])[*:1]
CC(=O)[C@H](C)Cc1ccccc1[N+](=O)[O-] CC(=O)[C@H](C)[*:1] O=[N+]([O-])c1ccccc1C[*:1]
CN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1(C#N)CCC1 c1ccc(cc1)[*:1] CN(C(=O)c1cc([nH]n1)[*:1])C1(C#N)CCC1
CN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1(C#N)CCC1 N#CC1(CCC1)[*:1] CN(C(=O)c1cc([nH]n1)-c1ccccc1)[*:1]
CCOC(=O)C1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 CCOC(=O)[*:1] c1ccc(cc1)-c1noc(CC[NH+]2CCC(CC2)[*:1])n1
CCOC(=O)C1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1CC[NH+](CCc2nc(no2)[*:1])CC1
COc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
COc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CCCn1cnc2cc(-c3noc(CCC4CCCC4)n3)ccc21 C1CCC(C1)[*:1] CCCn1cnc2cc(ccc21)-c1noc(CC[*:1])n1
CCCn1cnc2cc(-c3noc(CCC4CCCC4)n3)ccc21 C1CCC(C1)C[*:1] CCCn1cnc2cc(ccc21)-c1noc(C[*:1])n1
CCCn1cnc2cc(-c3noc(CCC4CCCC4)n3)ccc21 C1CCC(C1)CC[*:1] CCCn1cnc2cc(ccc21)-c1noc(n1)[*:1]
CCCn1cnc2cc(-c3noc(CCC4CCCC4)n3)ccc21 CCC[*:1] c1cc2c(cc1-c1noc(CCC3CCCC3)n1)ncn2[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1ccn(-c2cccc(F)c2)n1 CNC(=O)[*:1] C[C@H](CN(C)C(=O)c1ccn(n1)-c1cccc(F)c1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1ccn(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)c1ccn(n1)[*:1]
CN1C(=O)C[C@H](NCc2csc(-c3ccccn3)n2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NCc2csc(n2)-c2ccccn2)[C@H]1[*:1]
CN1C(=O)C[C@H](NCc2csc(-c3ccccn3)n2)[C@@H]1c1ccc(Cl)cc1 c1ccc(nc1)[*:1] CN1C(=O)C[C@H](NCc2csc(n2)[*:1])[C@@H]1c1ccc(Cl)cc1
O=C1S/C(=C/c2ccccc2O)C(=O)N1CNc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1S/C(=C/c2ccccc2O)C(=O)N1CN[*:1]
O=C1S/C(=C/c2ccccc2O)C(=O)N1CNc1cccc(Cl)c1 Oc1ccccc1[*:1] O=C1SC(=C[*:1])C(=O)N1CNc1cccc(Cl)c1
O=C1S/C(=C/c2ccccc2O)C(=O)N1CNc1cccc(Cl)c1 Clc1cccc(c1)N[*:1] O=C1S/C(=C/c2ccccc2O)C(=O)N1C[*:1]
COC[C@H](C)NC(=O)Nc1ccc2nc(C)oc2c1 COC[*:1] Cc1nc2ccc(cc2o1)NC(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)Nc1ccc2nc(C)oc2c1 COC[C@H](C)[*:1] Cc1nc2ccc(cc2o1)NC(=O)N[*:1]
O=C(Cn1nc2ccccn2c1=O)OCc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cn1nc2ccccn2c1=O)OC[*:1]
COc1ccc(CCCNC(=O)Nc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)CCCNC(=O)N[*:1]
CN(Cc1cnn(Cc2ccccc2)c1)c1nc2ccccn2c1[N+](=O)[O-] c1ccc(cc1)[*:1] CN(Cc1cnn(c1)C[*:1])c1nc2ccccn2c1[N+](=O)[O-]
CN(Cc1cnn(Cc2ccccc2)c1)c1nc2ccccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(Cc1cnn(c1)Cc1ccccc1)c1nc2ccccn2c1[*:1]
CN(Cc1cnn(Cc2ccccc2)c1)c1nc2ccccn2c1[N+](=O)[O-] c1ccc(cc1)C[*:1] CN(Cc1cnn(c1)[*:1])c1nc2ccccn2c1[N+](=O)[O-]
C[C@@H](NC(=O)c1ccn(C)n1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)c1ccn(C)n1)[*:1]
C[NH+]1CCN(NC(=O)c2csc(-c3cnccn3)n2)CC1 c1cnc(cn1)[*:1] C[NH+]1CCN(CC1)NC(=O)c1csc(n1)[*:1]
COCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(O)cc1 COC[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[*:1])[C@@H](c3ccc(O)cc3)c12
COCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] COCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@H]1[*:1]
COCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(O)cc1 COCC[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N([C@@H](c3ccc(O)cc3)c12)[*:1]
COCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(O)cc1 Cc1ccc(cc1)[*:1] COCCN1C(=O)c2[nH]nc(c2[C@@H]1c1ccc(O)cc1)[*:1]
Cc1cccc(Cn2c([C@H](C)NC(=O)C3CC3)nc3ccccc32)c1 C1CC1[*:1] Cc1cccc(c1)Cn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
Cc1cccc(Cn2c([C@H](C)NC(=O)C3CC3)nc3ccccc32)c1 C[C@H](NC(=O)C1CC1)[*:1] Cc1cccc(c1)Cn1c(nc2ccccc21)[*:1]
Cc1cccc(Cn2c([C@H](C)NC(=O)C3CC3)nc3ccccc32)c1 Cc1cccc(c1)C[*:1] C[C@H](NC(=O)C1CC1)c1nc2ccccc2n1[*:1]
Cc1cccc(Cn2c([C@H](C)NC(=O)C3CC3)nc3ccccc32)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)C1CC1)c1nc2ccccc2n1C[*:1]
Cc1cccc(Cn2c([C@H](C)NC(=O)C3CC3)nc3ccccc32)c1 O=C(N[*:1])C1CC1 Cc1cccc(c1)Cn1c(nc2ccccc21)[C@H](C)[*:1]
Cc1c(C(=O)OCCCC(N)=O)sc2ccc(F)cc12 NC(=O)[*:1] Cc1c(sc2ccc(F)cc12)C(=O)OCCC[*:1]
Cc1c(C(=O)OCCCC(N)=O)sc2ccc(F)cc12 NC(=O)CC[*:1] Cc1c(sc2ccc(F)cc12)C(=O)OC[*:1]
Cc1c(C(=O)OCCCC(N)=O)sc2ccc(F)cc12 NC(=O)CCC[*:1] Cc1c(sc2ccc(F)cc12)C(=O)O[*:1]
Cc1c(C(=O)OCCCC(N)=O)sc2ccc(F)cc12 NC(=O)C[*:1] Cc1c(sc2ccc(F)cc12)C(=O)OCC[*:1]
COCCNC(=O)Cn1cc(NC(=O)N[C@H]2CCCC[C@H]2C)cn1 COCCNC(=O)C[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(c1)[*:1]
COCCNC(=O)Cn1cc(NC(=O)N[C@H]2CCCC[C@H]2C)cn1 COCCNC(=O)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(c1)C[*:1]
COCCNC(=O)Cn1cc(NC(=O)N[C@H]2CCCC[C@H]2C)cn1 COCC[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(c1)CC(=O)N[*:1]
COCCNC(=O)Cn1cc(NC(=O)N[C@H]2CCCC[C@H]2C)cn1 COC[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(c1)CC(=O)NC[*:1]
CC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1C c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)CN(C)S(=O)(=O)[*:1]
CC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)CN(C)S(=O)(=O)c1ccccc1
CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1(C)C FC(F)(F)[*:1] CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H]2CCN(C[*:1])C2=O)C1(C)C
CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1(C)C FC(F)(F)C[*:1] CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H]2CCN(C2=O)[*:1])C1(C)C
Cc1cc(C)c(NC(=O)CSc2ccc(Br)cc2)c(C)c1 Brc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CS[*:1])c(C)c1
CCO[C@H]1CCCN(C(=O)Nc2cccc(F)c2F)C1 CCO[*:1] O=C(Nc1cccc(F)c1F)N1CCC[C@@H](C1)[*:1]
Oc1c(O)/c(=N\CCN2CCOCC2)c1=[N+]1CCN(c2ccc(F)cc2)CC1 C1CN(CCO1)C[*:1] Oc1c(O)/c(=N\C[*:1])c1=[N+]1CCN(CC1)c1ccc(F)cc1
Oc1c(O)/c(=N\CCN2CCOCC2)c1=[N+]1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Oc1c(O)/c(=N\CCN2CCOCC2)c1=[N+]1CCN(CC1)[*:1]
Oc1c(O)/c(=N\CCN2CCOCC2)c1=[N+]1CCN(c2ccc(F)cc2)CC1 C1CN(CCO1)[*:1] Oc1c(O)/c(=N\CC[*:1])c1=[N+]1CCN(CC1)c1ccc(F)cc1
Oc1c(O)/c(=N\CCN2CCOCC2)c1=[N+]1CCN(c2ccc(F)cc2)CC1 C1CN(CCO1)CC[*:1] Oc1c(O)c(=N[*:1])c1=[N+]1CCN(CC1)c1ccc(F)cc1
COCC[C@@H](C)C(=O)Nc1ccc(Br)cc1 COC[*:1] C[C@H](C[*:1])C(=O)Nc1ccc(Br)cc1
COCC[C@@H](C)C(=O)Nc1ccc(Br)cc1 COCC[*:1] C[C@@H](C(=O)Nc1ccc(Br)cc1)[*:1]
CCN(C(=O)CNc1cc(Cl)ccc1C(=O)N1CCCCC1)C1CCCCC1 O=C(N1CCCCC1)[*:1] CCN(C(=O)CNc1cc(Cl)ccc1[*:1])C1CCCCC1
CCN(C(=O)CNc1cc(Cl)ccc1C(=O)N1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)CNc1cc(Cl)ccc1C(=O)N1CCCCC1)[*:1]
CC(C)[C@H](C(=O)NCCCc1nnc2ccccn12)N1Cc2ccccc2C1=O CC(C)[*:1] O=C(NCCCc1nnc2ccccn12)[C@H](N1Cc2ccccc2C1=O)[*:1]
CC(C)[C@H](C(=O)NCCCc1nnc2ccccn12)N1Cc2ccccc2C1=O c1ccn2c(nnc2c1)[*:1] CC(C)[C@H](C(=O)NCCC[*:1])N1Cc2ccccc2C1=O
COc1ccc([C@H](NCC(=O)N2CCNC2=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](NCC(=O)N1CCNC1=O)[*:1]
COc1ccc([C@H](NCC(=O)N2CCNC2=O)c2ccc(C)cc2)cc1 O=C1NCCN1C(=O)[*:1] COc1ccc(cc1)[C@H](NC[*:1])c1ccc(C)cc1
COc1ccc([C@H](NCC(=O)N2CCNC2=O)c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](NCC(=O)N1CCNC1=O)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(Br)cc1 CC(C)[*:1] C[C@H](NC(=O)[C@H](NC(=O)c1ccc(F)cc1)[*:1])c1ccc(Br)cc1
CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(Br)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N[C@@H](C)c1ccc(Br)cc1
CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](C)[*:1]
CNC(=O)COc1cccc(N[C@H](C)C[C@@H]2CCC[NH2+]2)c1 CNC(=O)[*:1] C[C@H](C[C@@H]1CCC[NH2+]1)Nc1cccc(c1)OC[*:1]
CNC(=O)COc1cccc(N[C@H](C)C[C@@H]2CCC[NH2+]2)c1 CNC(=O)CO[*:1] C[C@H](C[C@@H]1CCC[NH2+]1)Nc1cccc(c1)[*:1]
CNC(=O)COc1cccc(N[C@H](C)C[C@@H]2CCC[NH2+]2)c1 CNC(=O)C[*:1] C[C@H](C[C@@H]1CCC[NH2+]1)Nc1cccc(c1)O[*:1]
COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
O=C(NCCOc1cccnc1)[C@H]1COc2ccc(F)cc2C1 c1cncc(c1)O[*:1] O=C(NCC[*:1])[C@H]1COc2ccc(F)cc2C1
O=C(NCCOc1cccnc1)[C@H]1COc2ccc(F)cc2C1 c1cncc(c1)[*:1] O=C(NCCO[*:1])[C@H]1COc2ccc(F)cc2C1
COc1ccc(OCc2ccc(/C=N/NC(=O)C(F)(F)F)o2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)OCc1ccc(/C=N/NC(=O)[*:1])o1
COc1ccc(OCc2ccc(/C=N/NC(=O)C(F)(F)F)o2)cc1 COc1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(CO[*:1])o1)C(F)(F)F
Cc1cc(N)c(C)c(S(=O)(=O)NCC(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)NC[*:1]
Cc1cc(N)c(C)c(S(=O)(=O)NCC(=O)NC2CC2)c1 C1CC1[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)NCC(=O)N[*:1]
CN(C(=O)/C=C/c1ccc(C(N)=O)cc1)c1ccc2ccccc2c1 NC(=O)[*:1] CN(C(=O)/C=C/c1ccc(cc1)[*:1])c1ccc2ccccc2c1
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 COc1ccccc1[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCC[C@H]2CCCC[C@@H]21
O=C(CCn1cncn1)N1CCC[C@@H](c2nc3ccccc3s2)C1 c1ncn(CC[*:1])n1 O=C(N1CCC[C@H](C1)c1nc2ccccc2s1)[*:1]
O=C(CCn1cncn1)N1CCC[C@@H](c2nc3ccccc3s2)C1 c1ncn(C[*:1])n1 O=C(C[*:1])N1CCC[C@H](C1)c1nc2ccccc2s1
O=C(CCn1cncn1)N1CCC[C@@H](c2nc3ccccc3s2)C1 c1ncn(n1)[*:1] O=C(CC[*:1])N1CCC[C@H](C1)c1nc2ccccc2s1
CCOC(=O)[C@]1([NH3+])CCC[C@@H]1CCOC1CCC1 C1CC(C1)[*:1] CCOC(=O)[C@]1([NH3+])CCC[C@@H]1CCO[*:1]
CCOC(=O)[C@]1([NH3+])CCC[C@@H]1CCOC1CCC1 CCOC(=O)[*:1] [NH3+][C@@]1(CCC[C@@H]1CCOC1CCC1)[*:1]
CCOC(=O)[C@]1([NH3+])CCC[C@@H]1CCOC1CCC1 C1CC(C1)OC[*:1] CCOC(=O)[C@]1([NH3+])CCC[C@@H]1C[*:1]
CCOC(=O)[C@]1([NH3+])CCC[C@@H]1CCOC1CCC1 C1CC(C1)O[*:1] CCOC(=O)[C@]1([NH3+])CCC[C@@H]1CC[*:1]
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(cc1)[*:1]
CN(Cc1cnc2ccccc2n1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 C1CCC(C1)[*:1] CN(Cc1cnc2ccccc2n1)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
C[C@@H]([C@H](C)C(=O)[O-])[S@@](=O)c1cccs1 O=C([O-])[*:1] C[C@@H]([C@H](C)[*:1])[S@@](=O)c1cccs1
COCCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1F COCC[*:1] O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(O[*:1])c(F)c2)c1
COCCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1F COCCO[*:1] O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(c(F)c2)[*:1])c1
COCCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1F O=[N+]([O-])[*:1] COCCOc1ccc(cc1F)/N=C/c1cc(ccc1[O-])[*:1]
COCCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1F COC[*:1] O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(OC[*:1])c(F)c2)c1
CCCN(C)C(=O)N[C@H]1CCCc2ccc(F)cc21 CCC[*:1] CN(C(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
CCCCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(O)c(OC)c1 CCC[*:1] COc1cc(ccc1O)[C@@H]1c2c(n[nH]c2C(=O)N1CC[*:1])-c1cc(Cl)ccc1O
CCCCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(O)c(OC)c1 Oc1ccc(Cl)cc1[*:1] CCCCCN1C(=O)c2[nH]nc(c2[C@H]1c1ccc(O)c(c1)OC)[*:1]
CCCCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(O)c(OC)c1 CCCCC[*:1] COc1cc(ccc1O)[C@@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1cc(Cl)ccc1O
CCCCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(O)c(OC)c1 CCCC[*:1] COc1cc(ccc1O)[C@@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1cc(Cl)ccc1O
CCCCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccc(O)c(OC)c1 COc1cc(ccc1O)[*:1] CCCCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1[*:1]
O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)s1 Fc1ccc(c(F)c1)[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)s1 Fc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)[C@H]1CCCN(C1)C(=O)Nc1ccc(F)cc1F
O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)s1 O=C(Nc1ccc(F)cc1)[*:1] O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)CN2CC[NH+](CC)CC2)c1C CCOC(=O)[*:1] CC[NH+]1CCN(CC1)CC(=O)c1[nH]c(C)c(c1C)[*:1]
CCc1c(C(=O)NC[C@H](O)c2ccco2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)NC[C@H](O)c1ccco1
CCc1c(C(=O)NC[C@H](O)c2ccco2)cnn1-c1ccccc1 c1coc(c1)[*:1] CCc1c(cnn1-c1ccccc1)C(=O)NC[C@H](O)[*:1]
Cc1cc(F)ccc1-n1[nH]c(C(C)(C)C)c(Br)c1=O CC(C)(C)[*:1] Cc1cc(F)ccc1-n1[nH]c(c(Br)c1=O)[*:1]
O=C(c1ccccc1OC(F)F)N1CCC(c2nnc3ccccn23)CC1 FC(F)[*:1] O=C(c1ccccc1O[*:1])N1CCC(CC1)c1nnc2ccccn12
O=C(c1ccccc1OC(F)F)N1CCC(c2nnc3ccccn23)CC1 c1ccn2c(nnc2c1)[*:1] O=C(c1ccccc1OC(F)F)N1CCC(CC1)[*:1]
O=C(c1ccccc1OC(F)F)N1CCC(c2nnc3ccccn23)CC1 FC(F)O[*:1] O=C(c1ccccc1[*:1])N1CCC(CC1)c1nnc2ccccn12
COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O c1coc(c1)C[*:1] COc1cc(ccc1O)[C@@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1[*:1]
COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O c1coc(c1)[*:1] COc1cc(ccc1O)[C@@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1C[*:1]
COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O COc1cc(ccc1O)[*:1] Cc1cc2oc3C(=O)N(Cc4ccco4)[C@@H](c3c(=O)c2cc1Cl)[*:1]
CC[C@@H](C)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 FC(F)O[*:1] CC[C@@H](C)[NH2+]Cc1cc(Br)c(c(c1)OC)[*:1]
CC[C@@H](C)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 FC(F)[*:1] CC[C@@H](C)[NH2+]Cc1cc(Br)c(O[*:1])c(c1)OC
O=C(NCCSc1cn[nH]n1)[C@@H]1NCCc2[nH]c[nH+]c21 c1n[nH]nc1S[*:1] O=C(NCC[*:1])[C@@H]1NCCc2[nH]c[nH+]c21
O=C(NCCSc1cn[nH]n1)[C@@H]1NCCc2[nH]c[nH+]c21 c1n[nH]nc1[*:1] O=C(NCCS[*:1])[C@@H]1NCCc2[nH]c[nH+]c21
CCOC(=O)CN(C(=O)CN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 CCOC(=O)[*:1] C[C@H]1CN(CC(=O)N(C[*:1])c2ccccc2)C[C@H](C)O1
CCOC(=O)CN(C(=O)CN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 CCOC(=O)C[*:1] C[C@H]1CN(CC(=O)N(c2ccccc2)[*:1])C[C@H](C)O1
CCOC(=O)CN(C(=O)CN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)CN(C(=O)CN1C[C@H](C)O[C@@H](C)C1)[*:1]
CCCOc1ccc(Cl)cc1C[NH2+]Cc1ccccn1 c1ccc(nc1)[*:1] CCCOc1ccc(Cl)cc1C[NH2+]C[*:1]
CCCOc1ccc(Cl)cc1C[NH2+]Cc1ccccn1 CCC[*:1] Clc1ccc(O[*:1])c(c1)C[NH2+]Cc1ccccn1
CCCOc1ccc(Cl)cc1C[NH2+]Cc1ccccn1 CCCO[*:1] Clc1ccc(c(c1)C[NH2+]Cc1ccccn1)[*:1]
C[C@H](Cc1cccs1)N(C)Cc1ccccc1C(=O)NN c1csc(c1)C[*:1] C[C@H](N(C)Cc1ccccc1C(=O)NN)[*:1]
C[C@H](Cc1cccs1)N(C)Cc1ccccc1C(=O)NN c1csc(c1)[*:1] C[C@H](C[*:1])N(C)Cc1ccccc1C(=O)NN
C[C@H](Cc1cccs1)N(C)Cc1ccccc1C(=O)NN NNC(=O)[*:1] C[C@H](Cc1cccs1)N(C)Cc1ccccc1[*:1]
O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@H](O)C1 C1CO[C@H](C1)C[*:1] O=C(c1ccc(cc1)O[*:1])N1CCC[C@H](O)C1
O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@H](O)C1 C1CO[C@H](C1)CO[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H](O)C1
O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@H](O)C1 C1CO[C@H](C1)[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCC[C@H](O)C1
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1c2ccccc2C[C@H]1C Clc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1c2ccccc2C[C@H]1C
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1c2ccccc2C[C@H]1C CC(C)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)[C@@H](NC(=O)c1ccccc1Cl)[*:1]
C=CCc1cccc2c1OCN1c3ccccc3C(=O)N(OC(=O)OCC)[C@@H]21 C=CC[*:1] CCOC(=O)ON1C(=O)c2ccccc2N2COc3c(cccc3[*:1])[C@H]12
Cc1cc(C(=O)CSc2ncccn2)c(C)n1C[C@@H]1COc2ccccc2O1 c1cnc(nc1)SC[*:1] Cc1cc(C(=O)[*:1])c(C)n1C[C@@H]1COc2ccccc2O1
Cc1cc(C(=O)CSc2ncccn2)c(C)n1C[C@@H]1COc2ccccc2O1 c1cnc(nc1)[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1C[C@@H]1COc2ccccc2O1
Cc1cc(C(=O)CSc2ncccn2)c(C)n1C[C@@H]1COc2ccccc2O1 c1cnc(nc1)S[*:1] Cc1cc(C(=O)C[*:1])c(C)n1C[C@@H]1COc2ccccc2O1
Cc1nccn1Cc1ccccc1-n1ccnc1-c1cc2n(n1)CC[NH2+]C2 Cc1nccn1C[*:1] c1ccc(c(c1)-n1ccnc1-c1cc2C[NH2+]CCn2n1)[*:1]
Cc1nccn1Cc1ccccc1-n1ccnc1-c1cc2n(n1)CC[NH2+]C2 Cc1nccn1[*:1] c1ccc(c(c1)C[*:1])-n1ccnc1-c1cc2C[NH2+]CCn2n1
COc1cc(CNc2nc(C)c(-c3ccn(-c4cccc(F)c4)n3)s2)cc2c1OCO2 Fc1cccc(c1)[*:1] COc1cc(cc2OCOc12)CNc1nc(C)c(s1)-c1ccn(n1)[*:1]
Cc1ccc(C)c(Nc2nc(NCCCO)nc3c2cnn3C)c1 Cc1ccc(C)c(c1)[*:1] Cn1ncc2c(nc(nc21)NCCCO)N[*:1]
Cc1ccc(C)c(Nc2nc(NCCCO)nc3c2cnn3C)c1 OCC[*:1] Cc1ccc(C)c(c1)Nc1nc(nc2c1cnn2C)NC[*:1]
Cc1ccc(C)c(Nc2nc(NCCCO)nc3c2cnn3C)c1 OCCC[*:1] Cc1ccc(C)c(c1)Nc1nc(nc2c1cnn2C)N[*:1]
Cc1ccc(C)c(Nc2nc(NCCCO)nc3c2cnn3C)c1 OCCCN[*:1] Cc1ccc(C)c(c1)Nc1nc(nc2c1cnn2C)[*:1]
NC(=O)C1(NC(=O)c2ccc(F)c(Br)c2)CCCC1 NC(=O)[*:1] O=C(NC1(CCCC1)[*:1])c1ccc(F)c(Br)c1
CSCC(=O)NNC(=O)CC(C)(C)c1ccccc1 CSC[*:1] CC(C)(CC(=O)NNC(=O)[*:1])c1ccccc1
CSCC(=O)NNC(=O)CC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CSCC(=O)NNC(=O)CC(C)(C)[*:1]
CCc1ncc(CN2CC[NH+](CC3(c4ccccc4)CC3)CC2)cn1 c1ccc(cc1)[*:1] CCc1ncc(cn1)CN1CC[NH+](CC1)CC1(CC1)[*:1]
CCc1ncc(CN2CC[NH+](CC3(c4ccccc4)CC3)CC2)cn1 CCc1ncc(cn1)[*:1] c1ccc(cc1)C1(CC1)C[NH+]1CCN(CC1)C[*:1]
CCCc1nc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c2c(C)c(C)sc2n1 Cc1ccc(cc1)[*:1] CCCc1nc(c2c(C)c(C)sc2n1)N1CCN(CC1)C(=O)[*:1]
CCCc1nc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c2c(C)c(C)sc2n1 CCC[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)c1nc(nc2sc(C)c(C)c12)[*:1]
CC[C@@H]([NH3+])[C@H](c1sccc1C)N(C)C1CCC(C)(C)CC1 Cc1ccsc1[*:1] CC[C@@H]([NH3+])[C@H](N(C)C1CCC(C)(C)CC1)[*:1]
C=C(Br)CN(C)CC1CC[NH2+]CC1 C=C(Br)[*:1] CN(CC1CC[NH2+]CC1)C[*:1]
C=C(Br)CN(C)CC1CC[NH2+]CC1 C=C(Br)C[*:1] CN(CC1CC[NH2+]CC1)[*:1]
N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl N#CC[*:1] O=C([O-])c1ccc(Cl)c(c1)S(=O)(=O)N(C[*:1])c1ccc(F)cc1
N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl O=C([O-])[*:1] N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl N#CCC[*:1] O=C([O-])c1ccc(Cl)c(c1)S(=O)(=O)N(c1ccc(F)cc1)[*:1]
N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl Fc1ccc(cc1)[*:1] N#CCCN(S(=O)(=O)c1cc(ccc1Cl)C(=O)[O-])[*:1]
Cc1ccc(S(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nc1 O=[N+]([O-])[*:1] Cc1ccc(nc1)S(=O)(=O)Cc1coc(n1)-c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nc1 Cc1ccc(nc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)CS(=O)(=O)[*:1]
COc1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccncc1)CO2 c1ccc(cc1)[*:1] COc1ccc2OC/C(=C\c3cn(nc3-c3ccncc3)[*:1])C(=O)c2c1
COc1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccncc1)CO2 c1cc(ccn1)[*:1] COc1ccc2OC/C(=C\c3cn(nc3[*:1])-c3ccccc3)C(=O)c2c1
O=C([O-])c1cc(Br)ccc1N1CC2(CCCCC2)C1 O=C([O-])[*:1] Brc1ccc(c(c1)[*:1])N1CC2(CCCCC2)C1
CNC(=O)c1ccc(/C=C/C(=O)N(C(C)C)C2CCC2)cc1 CNC(=O)[*:1] CC(C)N(C(=O)/C=C/c1ccc(cc1)[*:1])C1CCC1
CNC(=O)c1ccc(/C=C/C(=O)N(C(C)C)C2CCC2)cc1 C1CC(C1)[*:1] CNC(=O)c1ccc(/C=C/C(=O)N(C(C)C)[*:1])cc1
CNC(=O)c1ccc(/C=C/C(=O)N(C(C)C)C2CCC2)cc1 CC(C)[*:1] CNC(=O)c1ccc(/C=C/C(=O)N(C2CCC2)[*:1])cc1
COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 COC(=O)[*:1] O=C(c1cc(cc(c1)[*:1])[N+](=O)[O-])N1CCC[C@@H]1c1ccc2OCCOc2c1
COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cc(cc(c1)[*:1])C(=O)N1CCC[C@@H]1c1ccc2OCCOc2c1
COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 c1cc2OCCOc2cc1[*:1] COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCC[C@H]1[*:1]
Cc1c(CCC(=O)N2CCC(C(=O)[O-])CC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 O=C([O-])[*:1] Cc1c(CCC(=O)N2CCC(CC2)[*:1])c(=O)oc2cc3oc4CCCCc4c3cc12
C=C(C)C[C@H](c1ccccc1)N(C(C)=O)c1ccco1 c1ccc(cc1)[*:1] C=C(C)C[C@H](N(C(C)=O)c1ccco1)[*:1]
C=C(C)C[C@H](c1ccccc1)N(C(C)=O)c1ccco1 c1coc(c1)[*:1] C=C(C)C[C@H](c1ccccc1)N(C(C)=O)[*:1]
C=C(C)C[C@H](c1ccccc1)N(C(C)=O)c1ccco1 C=C(C)C[*:1] CC(=O)N(c1ccco1)[C@@H](c1ccccc1)[*:1]
C=C(C)C[C@H](c1ccccc1)N(C(C)=O)c1ccco1 C=C(C)[*:1] CC(=O)N(c1ccco1)[C@H](C[*:1])c1ccccc1
CN(/[NH+]=C(\N)c1cnccn1)C(=[NH2+])c1ncccn1 c1cnc(cn1)[*:1] CN(/[NH+]=C(\N)[*:1])C(=[NH2+])c1ncccn1
CN(/[NH+]=C(\N)c1cnccn1)C(=[NH2+])c1ncccn1 c1cnc(nc1)[*:1] CN(/[NH+]=C(\N)c1cnccn1)C(=[NH2+])[*:1]
Cc1cc(NCCNC(=O)Nc2nccs2)n2ncnc2n1 c1csc(n1)[*:1] Cc1cc(NCCNC(=O)N[*:1])n2ncnc2n1
CCCNC(=O)[C@H]1CCCN(C(=O)C[C@H](O)c2ccc(Cl)cc2)C1 CCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)C[C@H](O)c1ccc(Cl)cc1
CCCNC(=O)[C@H]1CCCN(C(=O)C[C@H](O)c2ccc(Cl)cc2)C1 CCCNC(=O)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCC[C@@H](C1)[*:1]
CCCNC(=O)[C@H]1CCCN(C(=O)C[C@H](O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCCNC(=O)[C@H]1CCCN(C1)C(=O)C[C@H](O)[*:1]
COCCN(C)C(=O)[C@H]1CCCN(C(=O)[C@H](C)c2cccs2)C1 c1csc(c1)[*:1] COCCN(C)C(=O)[C@H]1CCCN(C1)C(=O)[C@H](C)[*:1]
COCCN(C)C(=O)[C@H]1CCCN(C(=O)[C@H](C)c2cccs2)C1 C[C@H](c1cccs1)[*:1] COCCN(C)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
COCCN(C)C(=O)[C@H]1CCCN(C(=O)[C@H](C)c2cccs2)C1 COCC[*:1] C[C@@H](C(=O)N1CCC[C@@H](C1)C(=O)N(C)[*:1])c1cccs1
COCCN(C)C(=O)[C@H]1CCCN(C(=O)[C@H](C)c2cccs2)C1 COC[*:1] C[C@@H](C(=O)N1CCC[C@@H](C1)C(=O)N(C)C[*:1])c1cccs1
S=C1NN[C@@H](Cc2ccc(Cl)cc2)N1c1cccc2nonc12 Clc1ccc(cc1)[*:1] S=C1NN[C@@H](C[*:1])N1c1cccc2nonc12
CS[C@H]1CC[C@@H](NC(=O)c2ccccc2SCc2cc(C)no2)C1 Cc1cc(on1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1ccccc1SC[*:1]
CS[C@H]1CC[C@@H](NC(=O)c2ccccc2SCc2cc(C)no2)C1 Cc1cc(CS[*:1])on1 CS[C@H]1CC[C@H](C1)NC(=O)c1ccccc1[*:1]
CS[C@H]1CC[C@@H](NC(=O)c2ccccc2SCc2cc(C)no2)C1 Cc1cc(C[*:1])on1 CS[C@H]1CC[C@H](C1)NC(=O)c1ccccc1S[*:1]
CCOc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2cccs2)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
CCOc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2cccs2)cc1 CCOc1ccc(cc1)[*:1] O=C(c1cccs1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
CCOc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2cccs2)cc1 CCO[*:1] O=C(c1cccs1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccc(cc1)[*:1]
C=CC[NH2+]CC(=O)N1CCOC[C@@H]1C(=O)[O-] O=C([O-])[*:1] C=CC[NH2+]CC(=O)N1CCOC[C@H]1[*:1]
C=CC[NH2+]CC(=O)N1CCOC[C@@H]1C(=O)[O-] C=CC[*:1] O=C([O-])[C@H]1COCCN1C(=O)C[NH2+][*:1]
O=C(Cc1cccc(F)c1F)Nc1ccccc1C(=O)N1CCOCC1 Fc1cccc(c1F)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)N1CCOCC1
O=C(Cc1cccc(F)c1F)Nc1ccccc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(Cc1cccc(F)c1F)Nc1ccccc1[*:1]
Cc1ccc(OCCN(C)C(=O)Cn2cnc3c(C)cccc3c2=O)cc1 Cc1ccc(cc1)OC[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N(C)C[*:1]
Cc1ccc(OCCN(C)C(=O)Cn2cnc3c(C)cccc3c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N(C)CCO[*:1]
Cc1ccc(OCCN(C)C(=O)Cn2cnc3c(C)cccc3c2=O)cc1 Cc1ccc(cc1)O[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N(C)CC[*:1]
COc1ccc2c(c1)[C@@H](NC[C@H](O)c1ccccc1Cl)CCCO2 Clc1ccccc1[*:1] COc1ccc2OCCC[C@H](NC[C@H](O)[*:1])c2c1
O=C(c1ccc(Br)cc1)N(CC[NH+]1CCOCC1)c1nc2ccc(Cl)cc2s1 Brc1ccc(cc1)[*:1] O=C(N(CC[NH+]1CCOCC1)c1nc2ccc(Cl)cc2s1)[*:1]
Cc1c(C(=O)COc2ccccc2Cl)c([O-])n(Cc2ccc3c(c2)OCO3)c(=O)c1C#N Clc1ccccc1[*:1] Cc1c(C(=O)CO[*:1])c([O-])n(Cc2ccc3OCOc3c2)c(=O)c1C#N
Cc1c(C(=O)COc2ccccc2Cl)c([O-])n(Cc2ccc3c(c2)OCO3)c(=O)c1C#N Clc1ccccc1O[*:1] Cc1c(C(=O)C[*:1])c([O-])n(Cc2ccc3OCOc3c2)c(=O)c1C#N
Cc1c(C(=O)COc2ccccc2Cl)c([O-])n(Cc2ccc3c(c2)OCO3)c(=O)c1C#N c1cc2OCOc2cc1C[*:1] Cc1c(C(=O)COc2ccccc2Cl)c([O-])n(c(=O)c1C#N)[*:1]
Cc1c(C(=O)COc2ccccc2Cl)c([O-])n(Cc2ccc3c(c2)OCO3)c(=O)c1C#N Clc1ccccc1OC[*:1] Cc1c(C(=O)[*:1])c([O-])n(Cc2ccc3OCOc3c2)c(=O)c1C#N
Cc1c(C(=O)COc2ccccc2Cl)c([O-])n(Cc2ccc3c(c2)OCO3)c(=O)c1C#N c1cc2OCOc2cc1[*:1] Cc1c(C(=O)COc2ccccc2Cl)c([O-])n(C[*:1])c(=O)c1C#N
COc1cccc(N2C[C@H](C(=O)NCC#CCOc3ccc(F)cc3F)CC2=O)c1 Fc1ccc(OC[*:1])c(F)c1 COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)NCC#C[*:1]
COc1cccc(N2C[C@H](C(=O)NCC#CCOc3ccc(F)cc3F)CC2=O)c1 COc1cccc(c1)[*:1] O=C(NCC#CCOc1ccc(F)cc1F)[C@@H]1CC(=O)N(C1)[*:1]
COc1cccc(N2C[C@H](C(=O)NCC#CCOc3ccc(F)cc3F)CC2=O)c1 Fc1ccc(O[*:1])c(F)c1 COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)NCC#CC[*:1]
COc1cccc(N2C[C@H](C(=O)NCC#CCOc3ccc(F)cc3F)CC2=O)c1 Fc1ccc(c(F)c1)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)NCC#CCO[*:1]
COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c(O)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c(O)c(c1)[*:1]
COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)c(Cl)cc3OC)c2=O)c1 COc1cccc(c1)C[*:1] COc1cc(Cl)c(C)cc1NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)c(Cl)cc3OC)c2=O)c1 COc1cc(Cl)c(C)cc1[*:1] COc1cccc(c1)Cn1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)c(Cl)cc3OC)c2=O)c1 COc1cccc(c1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
O=C(N/N=C/c1cccc2ccccc12)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] O=C(N/N=C/c1cccc2ccccc12)[C@@H]1CC(=O)N(C1)[*:1]
CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1c(C)nc2sccn12 Cc1nc2sccn2c1[*:1] CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C[*:1]
CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1c(C)nc2sccn12 CNC(=O)[*:1] Cc1nc2sccn2c1CN1CCCC[C@H]1Cc1c(sc2ccccc12)[*:1]
CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1c(C)nc2sccn12 Cc1nc2sccn2c1C[*:1] CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1[*:1]
CC1(C)[C@@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(F)(F)F)nc1 O=C([O-])[*:1] CC1(C)[C@@H]([C@H]1C(=O)Nc1ccc(nc1)C(F)(F)F)[*:1]
CC1(C)[C@@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(F)(F)F)nc1 FC(F)(F)[*:1] CC1(C)[C@@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(nc1)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)N[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(Cl)c1Cl O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1cccc(Cl)c1Cl
O=C(c1ncccc1OCC(F)(F)F)N1CCC2(C1)OCCO2 FC(F)(F)CO[*:1] O=C(c1ncccc1[*:1])N1CCC2(C1)OCCO2
O=C(c1ncccc1OCC(F)(F)F)N1CCC2(C1)OCCO2 FC(F)(F)C[*:1] O=C(c1ncccc1O[*:1])N1CCC2(C1)OCCO2
O=C(c1ncccc1OCC(F)(F)F)N1CCC2(C1)OCCO2 FC(F)(F)[*:1] O=C(c1ncccc1OC[*:1])N1CCC2(C1)OCCO2
O=C(NC[C@H](O)c1ccsc1)Nc1ccc(Cl)c(F)c1 c1cc(cs1)[*:1] O=C(NC[C@H](O)[*:1])Nc1ccc(Cl)c(F)c1
CC(=O)NCCNc1nc(N(C)C)cc(C)[nH+]1 CC(=O)NC[*:1] Cc1cc(nc(NC[*:1])[nH+]1)N(C)C
CC(=O)NCCNc1nc(N(C)C)cc(C)[nH+]1 CN(C)[*:1] CC(=O)NCCNc1nc(cc(C)[nH+]1)[*:1]
CC(=O)NCCNc1nc(N(C)C)cc(C)[nH+]1 CC(=O)N[*:1] Cc1cc(nc(NCC[*:1])[nH+]1)N(C)C
CC1(C)CC[NH+]1Cc1ccc(OC(F)F)c(F)c1 FC(F)O[*:1] CC1(C)CC[NH+]1Cc1ccc(c(F)c1)[*:1]
CC1(C)CC[NH+]1Cc1ccc(OC(F)F)c(F)c1 FC(F)[*:1] CC1(C)CC[NH+]1Cc1ccc(O[*:1])c(F)c1
Cc1ccc(NC(=O)C(=O)N[C@H]2CC=CCC2)cc1OC(F)F FC(F)O[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)N[C@H]1CC=CCC1
Cc1ccc(NC(=O)C(=O)N[C@H]2CC=CCC2)cc1OC(F)F FC(F)[*:1] Cc1ccc(cc1O[*:1])NC(=O)C(=O)N[C@H]1CC=CCC1
COc1ccc([C@H](C)N[C@@H](C)C#N)c(OC)c1 C[C@@H](C#N)[*:1] COc1ccc(c(c1)OC)[C@H](C)N[*:1]
COCCn1cc(NC(=O)NNC(=O)CC2CCCCC2)cn1 COC[*:1] O=C(CC1CCCCC1)NNC(=O)Nc1cnn(c1)C[*:1]
COCCn1cc(NC(=O)NNC(=O)CC2CCCCC2)cn1 C1CCC(CC1)[*:1] COCCn1cc(cn1)NC(=O)NNC(=O)C[*:1]
COCCn1cc(NC(=O)NNC(=O)CC2CCCCC2)cn1 C1CCC(CC1)C[*:1] COCCn1cc(cn1)NC(=O)NNC(=O)[*:1]
COCCn1cc(NC(=O)NNC(=O)CC2CCCCC2)cn1 COCC[*:1] O=C(CC1CCCCC1)NNC(=O)Nc1cnn(c1)[*:1]
CC[C@@]1(C2=CCCCC2)C(=O)NC(=O)N(CC(C)C)C1=O CC(C)[*:1] CC[C@]1(C(=O)NC(=O)N(C[*:1])C1=O)C1=CCCCC1
CC[C@@]1(C2=CCCCC2)C(=O)NC(=O)N(CC(C)C)C1=O CC(C)C[*:1] CC[C@]1(C(=O)NC(=O)N(C1=O)[*:1])C1=CCCCC1
CCCCC[C@@H]1C[C@H](CC(=O)[O-])C(=O)O1 O=C([O-])C[*:1] CCCCC[C@@H]1C[C@H](C(=O)O1)[*:1]
CCCCC[C@@H]1C[C@H](CC(=O)[O-])C(=O)O1 CCC[*:1] O=C([O-])C[C@H]1C[C@@H](CC[*:1])OC1=O
CCCCC[C@@H]1C[C@H](CC(=O)[O-])C(=O)O1 CCCCC[*:1] O=C([O-])C[C@H]1C[C@H](OC1=O)[*:1]
CCCCC[C@@H]1C[C@H](CC(=O)[O-])C(=O)O1 O=C([O-])[*:1] CCCCC[C@@H]1C[C@H](C[*:1])C(=O)O1
CCCCC[C@@H]1C[C@H](CC(=O)[O-])C(=O)O1 CCCC[*:1] O=C([O-])C[C@H]1C[C@@H](C[*:1])OC1=O
COC(=O)[C@H](NC(=O)CSc1ccccc1F)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)CSc1ccccc1F)[*:1]
COC(=O)[C@H](NC(=O)CSc1ccccc1F)C(C)C COC(=O)[*:1] CC(C)[C@@H](NC(=O)CSc1ccccc1F)[*:1]
Cn1cc(/C=C/C(=O)c2cccc(Br)c2)c(-c2ccncc2)n1 Brc1cccc(c1)[*:1] Cn1cc(/C=C/C(=O)[*:1])c(n1)-c1ccncc1
Cn1cc(/C=C/C(=O)c2cccc(Br)c2)c(-c2ccncc2)n1 c1cc(ccn1)[*:1] Cn1cc(/C=C/C(=O)c2cccc(Br)c2)c(n1)[*:1]
CC(C)N(C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)C1CCC1 C1CCC(C1)[*:1] CC(C)N(C(=O)[C@H]1CCCN(C1)C(=O)N[*:1])C1CCC1
CC(C)N(C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)[C@H]1CCCN(C1)C(=O)NC1CCCC1)[*:1]
CC(C)N(C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)C1CCC1 CC(C)[*:1] O=C(NC1CCCC1)N1CCC[C@@H](C1)C(=O)N(C1CCC1)[*:1]
COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(OC)c1OC Cc1ccc(cc1)C[*:1] COc1cc(cc(OC)c1OC)[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(OC)c1OC COc1cc(cc(OC)c1OC)[*:1] Cc1ccc(cc1)CN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1[*:1]
COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(OC)c1OC Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1C[*:1]
CC(C)COC[C@@H](O)CNC1=NS(=O)(=O)c2ccccc21 CC(C)COC[*:1] O=S1(=O)N=C(NC[C@H](O)[*:1])c2ccccc21
CC(C)COC[C@@H](O)CNC1=NS(=O)(=O)c2ccccc21 CC(C)C[*:1] O=S1(=O)N=C(NC[C@H](O)CO[*:1])c2ccccc21
CC(C)COC[C@@H](O)CNC1=NS(=O)(=O)c2ccccc21 CC(C)CO[*:1] O=S1(=O)N=C(NC[C@H](O)C[*:1])c2ccccc21
CC(C)COC[C@@H](O)CNC1=NS(=O)(=O)c2ccccc21 CC(C)[*:1] O=S1(=O)N=C(NC[C@H](O)COC[*:1])c2ccccc21
CCC[NH2+][C@@H](Cc1ccc(C)cc1)[C@@H](C)OC CCC[*:1] CO[C@H](C)[C@H](Cc1ccc(C)cc1)[NH2+][*:1]
CCC[NH2+][C@@H](Cc1ccc(C)cc1)[C@@H](C)OC CO[C@H](C)[*:1] CCC[NH2+][C@@H](Cc1ccc(C)cc1)[*:1]
COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+](C)Cc2cn(C)nc2C)cc1F Cc1nn(C)cc1[*:1] COc1ccc(cc1F)-c1nn(cc1C[NH+](C)C[*:1])-c1ccccc1C
COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+](C)Cc2cn(C)nc2C)cc1F COc1ccc(cc1F)[*:1] Cc1ccccc1-n1cc(C[NH+](C)Cc2cn(C)nc2C)c(n1)[*:1]
COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+](C)Cc2cn(C)nc2C)cc1F Cc1ccccc1[*:1] COc1ccc(cc1F)-c1nn(cc1C[NH+](C)Cc1cn(C)nc1C)[*:1]
CCOc1cccc2cc([C@@H](C)NC(=O)/C(C#N)=C\c3ccco3)oc12 c1coc(c1)[*:1] CCOc1cccc2cc(oc12)[C@@H](C)NC(=O)C(C#N)=C[*:1]
CCOc1cccc2cc([C@@H](C)NC(=O)/C(C#N)=C\c3ccco3)oc12 CCO[*:1] C[C@@H](NC(=O)/C(C#N)=C\c1ccco1)c1cc2cccc(c2o1)[*:1]
O=C(CCl)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] O=C(CCl)Nc1nnc(s1)[*:1]
Cc1occc1C(=O)Nc1ccccc1N1CCCC1 Cc1occc1[*:1] O=C(Nc1ccccc1N1CCCC1)[*:1]
Cc1occc1C(=O)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] Cc1occc1C(=O)Nc1ccccc1[*:1]
CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c(C#N)c1C CCOC(=O)[*:1] Cc1c(sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1C#N)[*:1]
CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c(C#N)c1C c1csc(c1)[*:1] CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)[*:1])c(C#N)c1C
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Cc1c(C)nn(CC(C)C)c1C COC(=O)[*:1] Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1CCCCC[C@H]1[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Cc1c(C)nn(CC(C)C)c1C CC(C)C[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Cc1c(C)nn(c1C)[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Cc1c(C)nn(CC(C)C)c1C CC(C)[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Cc1c(C)nn(C[*:1])c1C
O=C(Cc1ccc(-n2cnnn2)cc1)NCCc1cccc([N+](=O)[O-])c1 c1nnnn1[*:1] O=C(Cc1ccc(cc1)[*:1])NCCc1cccc(c1)[N+](=O)[O-]
O=C(Cc1ccc(-n2cnnn2)cc1)NCCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)-n1cnnn1)NCCc1cccc(c1)[*:1]
COc1ccc(OC)c([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@@H](c4cccnc4)[C@H]32)c1 c1cncc(c1)[*:1] COc1ccc(OC)c(c1)[C@@H]1Oc2ccc(Cl)cc2C2=Nc3ncnn3[C@@H]([C@H]21)[*:1]
COc1ccc(OC)c([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@@H](c4cccnc4)[C@H]32)c1 COc1ccc(OC)c(c1)[*:1] Clc1ccc2O[C@H]([C@H]3C(=Nc4ncnn4[C@H]3c3cccnc3)c2c1)[*:1]
CC(=O)NCCNC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C CC(=O)NCC[*:1] CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)N[*:1]
CC(=O)NCCNC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C CC(=O)N[*:1] CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCC[*:1]
CC(=O)NCCNC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C CC(=O)NC[*:1] CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NC[*:1]
CC(=O)NCCNC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C CC(C)(C)[*:1] CC(=O)NCCNC(=O)N[C@@H]1CCCC[C@H]1[*:1]
CNC(=O)c1ccc(C[S@@](=O)[C@H](C)C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)C[S@@](=O)[C@H](C)C(=O)NC[*:1]
CNC(=O)c1ccc(C[S@@](=O)[C@H](C)C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CNC(=O)c1ccc(cc1)C[S@@](=O)[C@H](C)C(=O)N[*:1]
CNC(=O)c1ccc(C[S@@](=O)[C@H](C)C(=O)NCc2ccc(F)cc2)cc1 CNC(=O)[*:1] C[C@H](C(=O)NCc1ccc(F)cc1)[S@](=O)Cc1ccc(cc1)[*:1]
COc1cc(/C=C/C(=O)N(C)c2cccc(C)c2)cc(OC)c1 Cc1cccc(c1)[*:1] COc1cc(/C=C/C(=O)N(C)[*:1])cc(c1)OC
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(C(C)C)[nH]n1 CC(C)c1cc(n[nH]1)[*:1] COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[*:1]
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(C(C)C)[nH]n1 CC(C)[*:1] COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc([nH]n1)[*:1]
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(C(C)C)[nH]n1 COC(=O)[*:1] CC(C)c1cc(n[nH]1)C(=O)N1Cc2ccccc2C[C@@H]1[*:1]
CCCc1nc(C(=O)N[C@H]2CC[C@H](C)[C@H](C)C2)n[nH]1 CCC[*:1] C[C@H]1CC[C@@H](C[C@H]1C)NC(=O)c1n[nH]c(n1)[*:1]
Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O O=[N+]([O-])[*:1] Cc1c(Br)c(nn1[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[*:1]
Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cc1c(Br)c(nn1[C@H](C)C(=O)Nc1c(C)n(C)n(c1=O)[*:1])[N+](=O)[O-]
COCCCOc1ccccc1NC(=O)N1CCN2C(=O)NC[C@@H]2C1 COCCCO[*:1] O=C(Nc1ccccc1[*:1])N1CCN2C(=O)NC[C@@H]2C1
COCCCOc1ccccc1NC(=O)N1CCN2C(=O)NC[C@@H]2C1 COC[*:1] O=C(Nc1ccccc1OCC[*:1])N1CCN2C(=O)NC[C@@H]2C1
COCCCOc1ccccc1NC(=O)N1CCN2C(=O)NC[C@@H]2C1 COCC[*:1] O=C(Nc1ccccc1OC[*:1])N1CCN2C(=O)NC[C@@H]2C1
COCCCOc1ccccc1NC(=O)N1CCN2C(=O)NC[C@@H]2C1 COCCC[*:1] O=C(Nc1ccccc1O[*:1])N1CCN2C(=O)NC[C@@H]2C1
COc1cccc([S@](=O)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 CC(C)(C)[*:1] COc1cccc(c1)[S@](=O)C[C@H]1CCCN(C1)C(=O)O[*:1]
COc1cccc([S@](=O)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 COc1cccc(c1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[S@@](=O)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(N)cc1 CC[C@H](C)[*:1] C[C@@H](Sc1ccc(N)cc1)C(=O)N[*:1]
O=C(c1cncc(Br)c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cncc(Br)c1)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
O=C(c1cncc(Br)c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 Brc1cncc(c1)[*:1] O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccc(-n2ccnn2)cc1)N1CC[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CC[C@@H](C1)[*:1]
O=C(c1ccc(-n2ccnn2)cc1)N1CC[C@@H](c2ccccc2)C1 c1cn(nn1)[*:1] O=C(c1ccc(cc1)[*:1])N1CC[C@H](C1)c1ccccc1
CCc1cccc(C)c1NC(=O)C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 CCc1cccc(C)c1[*:1] O=C(C[NH+]1CCC(CC1)c1nc2ccc(Cl)cc2[nH]1)N[*:1]
CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCO[C@H](C#N)C1 Clc1ccc(s1)[*:1] CC[C@H]([NH3+])[C@@H](N1CCO[C@H](C#N)C1)[*:1]
Cc1cc(-n2c(C)cn(CN3CCC(O)(C(F)(F)F)CC3)c2=O)no1 Cc1cc(no1)[*:1] Cc1cn(CN2CCC(O)(CC2)C(F)(F)F)c(=O)n1[*:1]
Cc1cc(-n2c(C)cn(CN3CCC(O)(C(F)(F)F)CC3)c2=O)no1 FC(F)(F)[*:1] Cc1cc(no1)-n1c(C)cn(CN2CCC(O)(CC2)[*:1])c1=O
CC[C@](C)(O)C[NH2+]CC(C)(C)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(O)C[NH2+]CC(C)(C)[*:1]
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1cccnc1 c1ccc(cc1)[*:1] O=C(NC[C@H](O)C[*:1])C(=O)Nc1cccnc1
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1cccnc1 c1ccc(cc1)C[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1cccnc1
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1cccnc1 c1cncc(c1)[*:1] O=C(NC[C@H](O)Cc1ccccc1)C(=O)N[*:1]
O=S(=O)([N-]c1nn(-c2ncccn2)cc1Br)c1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] O=S(=O)([N-]c1nn(cc1Br)-c1ncccn1)[*:1]
O=S(=O)([N-]c1nn(-c2ncccn2)cc1Br)c1ccc(Cl)cc1F c1cnc(nc1)[*:1] O=S(=O)([N-]c1nn(cc1Br)[*:1])c1ccc(Cl)cc1F
COc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc(CC#N)cc1 N#CC[*:1] COc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc(cc1)[*:1]
O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@H]1OC1CCCC1 O=[N+]([O-])c1cnn(c1)[*:1] O=C(CC[*:1])N[C@@H]1CCCC[C@H]1OC1CCCC1
O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(CCn1cc(cn1)[N+](=O)[O-])N[C@@H]1CCCC[C@H]1O[*:1]
O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(CCn1cc(cn1)[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1[*:1]
O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@H]1OC1CCCC1 O=[N+]([O-])[*:1] O=C(CCn1cc(cn1)[*:1])N[C@@H]1CCCC[C@H]1OC1CCCC1
COC(=O)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 COC(=O)[*:1] C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)[*:1]
CCCOC(=O)c1cnc2sccn2c1=O CCC[*:1] O=C(O[*:1])c1cnc2sccn2c1=O
CCC(CC)N(C)C(=O)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] CCC(CC)N(C)C(=O)Nc1cccc(c1)[*:1]
CCC(CC)N(C)C(=O)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] CCC(CC)N(C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CCC(CC)N(C)C(=O)Nc1cccc(C(=O)NC2CC2)c1 CCC(CC)[*:1] CN(C(=O)Nc1cccc(c1)C(=O)NC1CC1)[*:1]
COC(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(CSc1ncnc2c1cnn2-c1ccccc1)N[*:1]
COC(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)CSc1ncnc2c1cnn2[*:1]
COC(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 COC(=O)[*:1] O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(cc1)[*:1]
CCCNC(=O)O[C@@H]1CCC[C@@H]([NH3+])C1 CCC[*:1] [NH3+][C@@H]1CCC[C@H](C1)OC(=O)N[*:1]
O=C1CN(CCc2ccccc2F)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 Fc1ccccc1CC[*:1] O=C1CN([C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)[*:1]
O=C1CN(CCc2ccccc2F)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 Fc1ccccc1C[*:1] O=C1CN(C[*:1])[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1
O=C1CN(CCc2ccccc2F)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 Fc1ccccc1[*:1] O=C1CN(CC[*:1])[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1
O=C1CN(CCc2ccccc2F)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1CN(CCc2ccccc2F)[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
COc1cccc(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)c1 COc1cccc(c1)[*:1] COc1cc(F)c(cc1OC)[C@H](C)NC(=O)[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccccc2)s1 Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1nnc(s1)-c1ccccc1
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(s1)[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccccc2)s1 Clc1cccc(c1)O[*:1] C[C@@H](C(=O)Nc1nnc(s1)-c1ccccc1)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O O=S(=O)(N1CCCC1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)Cn1cc(ccc1=O)[*:1]
Cc1ccc(CNc2oc(COc3cccc(Cl)c3)nc2C#N)cc1 Clc1cccc(c1)O[*:1] Cc1ccc(cc1)CNc1oc(C[*:1])nc1C#N
Cc1ccc(CNc2oc(COc3cccc(Cl)c3)nc2C#N)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)CNc1oc(CO[*:1])nc1C#N
Cc1ccc(CNc2oc(COc3cccc(Cl)c3)nc2C#N)cc1 Cc1ccc(cc1)[*:1] N#Cc1nc(COc2cccc(Cl)c2)oc1NC[*:1]
Cc1ccc(CNc2oc(COc3cccc(Cl)c3)nc2C#N)cc1 Cc1ccc(cc1)C[*:1] N#Cc1nc(COc2cccc(Cl)c2)oc1N[*:1]
C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O Clc1cccc(c1)C[*:1] C[C@H](NC(=O)c1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1)[*:1]
C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O Clc1cccc(c1)[*:1] C[C@H](C[*:1])NC(=O)c1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1
C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O C[C@H](Cc1cccc(Cl)c1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1
C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O C1CO[C@@H](C1)C[*:1] C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O C1CO[C@@H](C1)[*:1] C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
Cc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(C)cc1[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] Cc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N[*:1]
COc1cccc(N2C(=O)c3cccnc3N[C@H]2SCC(=O)N[C@@H]2C=C(C)N=N2)c1 COc1cccc(c1)[*:1] CC1=C[C@H](N=N1)NC(=O)CS[C@@H]1Nc2ncccc2C(=O)N1[*:1]
Cc1cccc(NC(=O)CSc2nnc(N/N=C/c3c[nH]c4ccccc34)n2N)c1 Cc1cccc(c1)NC(=O)[*:1] Nn1c(nnc1SC[*:1])N/N=C/c1c[nH]c2ccccc12
Cc1cccc(NC(=O)CSc2nnc(N/N=C/c3c[nH]c4ccccc34)n2N)c1 Cc1cccc(c1)[*:1] Nn1c(nnc1SCC(=O)N[*:1])N/N=C/c1c[nH]c2ccccc12
Cc1cccc(NC(=O)CSc2nnc(N/N=C/c3c[nH]c4ccccc34)n2N)c1 c1ccc2c(c[nH]c2c1)[*:1] Cc1cccc(c1)NC(=O)CSc1nnc(NN=C[*:1])n1N
Cc1cc(N2CCC[C@@H]2C(C)C)c([C@@H](C)[NH3+])cc1F CC(C)[*:1] Cc1cc(c(cc1F)[C@@H](C)[NH3+])N1CCC[C@H]1[*:1]
C[C@H]1CN(C(=O)/C=C/c2ccc(N3CCCC3=O)cc2)C(C)(C)CO1 O=C1CCCN1[*:1] C[C@H]1CN(C(=O)/C=C/c2ccc(cc2)[*:1])C(C)(C)CO1
Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[*:1]
Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)NC[C@@H]([NH+]1CCCCC1)[*:1]
COCCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 FC(F)(F)[*:1] COCCC(=O)Nc1ccc(Br)c(c1)[*:1]
COCCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 COC[*:1] O=C(C[*:1])Nc1ccc(Br)c(c1)C(F)(F)F
COCCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 COCC[*:1] O=C(Nc1ccc(Br)c(c1)C(F)(F)F)[*:1]
CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H]1CCc2ccccc2C1 CON(C)C(=O)[*:1] CSCC[C@H]([NH2+][C@@H]1CCc2ccccc2C1)[*:1]
CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H]1CCc2ccccc2C1 CSCC[*:1] CON(C)C(=O)[C@H]([NH2+][C@@H]1CCc2ccccc2C1)[*:1]
CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H]1CCc2ccccc2C1 CSC[*:1] CON(C)C(=O)[C@H](C[*:1])[NH2+][C@@H]1CCc2ccccc2C1
CC(C)OC[C@@H](O)CI CC(C)[*:1] O[C@@H](CI)CO[*:1]
Cc1cccc(C)c1OCCNC(=O)c1cc(Cl)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cccc(C)c1OCCNC(=O)c1cc(Cl)ccc1[*:1]
Cc1cccc(C)c1OCCNC(=O)c1cc(Cl)ccc1-n1cnnn1 Cc1cccc(C)c1[*:1] O=C(NCCO[*:1])c1cc(Cl)ccc1-n1cnnn1
CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)cc1 CCOc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1ccc(Cl)cc1
CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(CC(=O)N[*:1])n1
CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)cc1 CCO[*:1] O=C(Cn1nc(ccc1=O)-c1ccc(cc1)[*:1])Nc1ccc(Cl)cc1
CS[C@H](C)C(=O)NNc1cc(C#N)cc(Cl)n1 CS[C@H](C)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)[*:1]
CCCn1nc2c(c(C(F)F)cc(=O)n2CCC(=O)Nc2ncnc3c2cnn3C)c1C FC(F)[*:1] CCCn1nc2c(c(cc(=O)n2CCC(=O)Nc2ncnc3c2cnn3C)[*:1])c1C
CCCn1nc2c(c(C(F)F)cc(=O)n2CCC(=O)Nc2ncnc3c2cnn3C)c1C Cn1ncc2c(ncnc21)[*:1] CCCn1nc2c(c(cc(=O)n2CCC(=O)N[*:1])C(F)F)c1C
CCCn1nc2c(c(C(F)F)cc(=O)n2CCC(=O)Nc2ncnc3c2cnn3C)c1C CCC[*:1] Cc1c2c(cc(=O)n(CCC(=O)Nc3ncnc4c3cnn4C)c2nn1[*:1])C(F)F
COc1ccc(-[n+]2noc([O-])c2S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 Cc1ccc(Cl)cc1[*:1] COc1ccc(cc1)-[n+]1noc([O-])c1S[C@@H](C)C(=O)N[*:1]
COc1ccc(-[n+]2noc([O-])c2S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1c([O-])on[n+]1[*:1]
C[C@@H]1[NH2+][C@H](C)CC[C@H]1NC(=O)CCCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1[NH2+][C@H](C)CC[C@H]1NC(=O)CCC[*:1]
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C#N)cn1 Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])N(C)C(=O)c1ccc(C#N)cn1
C[C@](O)(CNC(=O)c1c(F)cccc1F)c1cccs1 c1csc(c1)[*:1] C[C@](O)(CNC(=O)c1c(F)cccc1F)[*:1]
O=C(NCCn1cccc1)N1CCN(c2cc[nH+]cc2)CC1 c1ccn(c1)[*:1] O=C(NCC[*:1])N1CCN(CC1)c1cc[nH+]cc1
O=C(NCCn1cccc1)N1CCN(c2cc[nH+]cc2)CC1 c1ccn(c1)C[*:1] O=C(NC[*:1])N1CCN(CC1)c1cc[nH+]cc1
O=C(NCCn1cccc1)N1CCN(c2cc[nH+]cc2)CC1 c1ccn(c1)CC[*:1] O=C(N[*:1])N1CCN(CC1)c1cc[nH+]cc1
Cc1cc(N2CC[NH+]([C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CC[NH+](CC1)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C
CSCCCNC(=S)N1CCCCC1 CSC[*:1] S=C(NCC[*:1])N1CCCCC1
CSCCCNC(=S)N1CCCCC1 CSCC[*:1] S=C(NC[*:1])N1CCCCC1
COCCCN(C)C(=O)C(=O)Nc1ccc2[nH]ncc2c1 COC[*:1] CN(CC[*:1])C(=O)C(=O)Nc1ccc2[nH]ncc2c1
COCCCN(C)C(=O)C(=O)Nc1ccc2[nH]ncc2c1 COCC[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2[nH]ncc2c1
COCCCN(C)C(=O)C(=O)Nc1ccc2[nH]ncc2c1 COCCC[*:1] CN(C(=O)C(=O)Nc1ccc2[nH]ncc2c1)[*:1]
CNC(=O)c1ccc(CN(C)C(=O)c2cc(C#N)cn2C)cc1 CNC(=O)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1cc(C#N)cn1C
CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3csc4nc(C)cn34)C2)cc1 Cc1cn2c(csc2n1)[*:1] CSc1ccc(cc1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3csc4nc(C)cn34)C2)cc1 CSc1ccc(cc1)[*:1] Cc1cn2c(csc2n1)C(=O)N1CCC[C@@H](C1)C(=O)[*:1]
C[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)N1CCc2ccccc21 c1coc(c1)[*:1] C[C@@H](Sc1nnc(n1N)[*:1])C(=O)N1CCc2ccccc21
CCC[NH2+][C@@H](C1C[C@@H](C)C[C@H](C)C1)C1([NH+](C)C)CCCC1 CCC[*:1] C[C@@H]1CC(C[C@@H](C)C1)[C@H]([NH2+][*:1])C1(CCCC1)[NH+](C)C
OC[C@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(C2CC2)C1 C1CC1[*:1] OC[C@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(C1)[*:1]
COc1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1 c1ccn(c1)[*:1] COc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
COc1cccc(OC[C@@H]2CCCN(C(=O)c3ccnc(OC)c3)C2)c1 COc1cccc(c1)[*:1] COc1cc(ccn1)C(=O)N1CCC[C@@H](CO[*:1])C1
COc1cccc(OC[C@@H]2CCCN(C(=O)c3ccnc(OC)c3)C2)c1 COc1cc(ccn1)[*:1] COc1cccc(c1)OC[C@@H]1CCCN(C1)C(=O)[*:1]
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)ccc2Cl)cc1 CCOc1ccc(cc1)[*:1] O=C(N[*:1])c1cc(ccc1Cl)S(=O)(=O)N1CCSCC1
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)ccc2Cl)cc1 O=S(=O)(N1CCSCC1)[*:1] CCOc1ccc(cc1)NC(=O)c1cc(ccc1Cl)[*:1]
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)ccc2Cl)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(ccc1Cl)S(=O)(=O)N1CCSCC1
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 COC(=O)[*:1] O=C(N[C@@H]1CCCCC[C@@H]1[*:1])[C@@H]1CC(=O)N(CC2CC2)C1
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccs1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccs2)N1C[C@@H]1CCCO1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2cccs2)N1C[C@@H]1CCCO1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccs1
COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)nc1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(nc1)N1CC[NH+](CC1)[*:1]
COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)nc1 COC(=O)[*:1] c1ccc(cc1)C[NH+]1CCN(CC1)c1ccc(cn1)[*:1]
COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)nc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(nc1)N1CC[NH+](CC1)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCC1(C)CCCC1 CC1(CCCC1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCC1(C)CCCC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)NCC1(C)CCCC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCC1(C)CCCC1 CC1(CCCC1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[*:1]
O=C(c1cnc(-c2ccccn2)nc1)N1CCCC[C@H]1CCc1ccc(O)cc1 c1ccc(nc1)[*:1] O=C(c1cnc(nc1)[*:1])N1CCCC[C@H]1CCc1ccc(O)cc1
O=C(c1cnc(-c2ccccn2)nc1)N1CCCC[C@H]1CCc1ccc(O)cc1 Oc1ccc(cc1)CC[*:1] O=C(c1cnc(nc1)-c1ccccn1)N1CCCC[C@@H]1[*:1]
O=C(c1cnc(-c2ccccn2)nc1)N1CCCC[C@H]1CCc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] O=C(c1cnc(nc1)-c1ccccn1)N1CCCC[C@H]1C[*:1]
O=C(c1cnc(-c2ccccn2)nc1)N1CCCC[C@H]1CCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(c1cnc(nc1)-c1ccccn1)N1CCCC[C@H]1CC[*:1]
CCC[NH2+]Cc1cnn([C@H]2CCOC3(CCCCC3)C2)c1 CCC[*:1] c1nn(cc1C[NH2+][*:1])[C@H]1CCOC2(CCCCC2)C1
CCCc1cc(NC(=O)[C@@H](CC)Sc2ccccc2)n(C)n1 CCC[*:1] CC[C@@H](Sc1ccccc1)C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)[C@@H](CC)Sc2ccccc2)n(C)n1 c1ccc(cc1)[*:1] CCCc1cc(NC(=O)[C@@H](CC)S[*:1])n(C)n1
CCCc1cc(NC(=O)[C@@H](CC)Sc2ccccc2)n(C)n1 c1ccc(cc1)S[*:1] CCCc1cc(NC(=O)[C@@H](CC)[*:1])n(C)n1
COc1ccc(-c2noc(CCC(=O)N(C)[C@H](C)c3ccccc3F)n2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-c1noc(CCC(=O)N(C)[C@H](C)[*:1])n1
COc1ccc(-c2noc(CCC(=O)N(C)[C@H](C)c3ccccc3F)n2)cc1 COc1ccc(cc1)[*:1] C[C@H](c1ccccc1F)N(C)C(=O)CCc1nc(no1)[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)NC[C@](C)(O)c1ccco1 c1coc(c1)[*:1] CO[C@H]1CCCC[C@H]1NC(=O)NC[C@](C)(O)[*:1]
CC[C@@](C)([C@H]([NH3+])c1ccc(F)c(C)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)([C@H]([NH3+])c1ccc(F)c(C)c1)[*:1]
O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccnc1Cl Clc1ncccc1[*:1] O=C(Nc1ccc(Br)c(c1)C(F)(F)F)[*:1]
O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccnc1Cl FC(F)(F)[*:1] O=C(Nc1ccc(Br)c(c1)[*:1])c1cccnc1Cl
CCOC(=O)CCC(=O)N1CCC[C@H](COC)C1 CCOC(=O)[*:1] COC[C@H]1CCCN(C1)C(=O)CC[*:1]
CCOC(=O)CCC(=O)N1CCC[C@H](COC)C1 CCOC(=O)C[*:1] COC[C@H]1CCCN(C1)C(=O)C[*:1]
CCOC(=O)CCC(=O)N1CCC[C@H](COC)C1 COC[*:1] CCOC(=O)CCC(=O)N1CCC[C@H](C1)[*:1]
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(CC[NH+](C)C)CC1 N#Cc1cccc(c1)[*:1] COC(=O)[C@H](N1CCC(CC1)CC[NH+](C)C)[*:1]
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(CC[NH+](C)C)CC1 COC(=O)[*:1] C[NH+](C)CCC1CCN(CC1)[C@@H](c1cccc(C#N)c1)[*:1]
CC(=O)c1csc(NC(=O)c2ccccc2-c2cncnc2)n1 CC(=O)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1-c1cncnc1
CC(=O)c1csc(NC(=O)c2ccccc2-c2cncnc2)n1 c1ncc(cn1)[*:1] CC(=O)c1csc(n1)NC(=O)c1ccccc1[*:1]
CCc1ccc(O)c(C(=O)N2C[C@@H](O)C[C@H]2C2CCCCC2)c1 C1CCC(CC1)[*:1] CCc1ccc(O)c(c1)C(=O)N1C[C@@H](O)C[C@@H]1[*:1]
CC(C)(C)C[NH+](CCC#N)Cc1nc(-c2cccc(Br)c2)no1 N#CC[*:1] CC(C)(C)C[NH+](Cc1nc(no1)-c1cccc(Br)c1)C[*:1]
CC(C)(C)C[NH+](CCC#N)Cc1nc(-c2cccc(Br)c2)no1 CC(C)(C)[*:1] N#CCC[NH+](Cc1nc(no1)-c1cccc(Br)c1)C[*:1]
CC(C)(C)C[NH+](CCC#N)Cc1nc(-c2cccc(Br)c2)no1 CC(C)(C)C[*:1] N#CCC[NH+](Cc1nc(no1)-c1cccc(Br)c1)[*:1]
CC(C)(C)C[NH+](CCC#N)Cc1nc(-c2cccc(Br)c2)no1 Brc1cccc(c1)[*:1] CC(C)(C)C[NH+](CCC#N)Cc1nc(no1)[*:1]
CC[C@H](C)[C@H](NC(=O)c1cc(Cl)c(Cl)n1C)C(N)=O CC[C@H](C)[*:1] Cn1c(cc(Cl)c1Cl)C(=O)N[C@H](C(N)=O)[*:1]
CC[C@H](C)[C@H](NC(=O)c1cc(Cl)c(Cl)n1C)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)c1cc(Cl)c(Cl)n1C)[*:1]
O=C1c2ccccc2C(=O)N1Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 O=[N+]([O-])[*:1] O=C1c2ccccc2C(=O)N1Cc1ccc(cc1)-c1nc2cc(ccc2o1)[*:1]
O=C(CSc1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1)Nc1cccc(Cl)c1Cl Fc1ccc(cc1)[*:1] O=C(CSc1cc(ncn1)N1CCN(CC1)[*:1])Nc1cccc(Cl)c1Cl
O=C(CSc1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(CSc1cc(ncn1)N1CCN(CC1)c1ccc(F)cc1)N[*:1]
CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@]1(C)[C@@]21CO1 CC(=O)O[*:1] CC1=C[C@H]2O[C@@H]3[C@H](O)[C@H]([C@@](C)([C@@]34CO4)[C@@]2(CO)[C@H](O)C1=O)[*:1]
Clc1ccc(SCCn2cccn2)cc1 c1cnn(c1)[*:1] Clc1ccc(cc1)SCC[*:1]
COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCCC2)c1 O=C(C[*:1])N1CCCCCC1 COc1cccc(c1)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[*:1]
COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCCC2)c1 O=C(N1CCCCCC1)[*:1] COc1cccc(c1)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC[*:1]
COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCCC2)c1 O=C(CC[*:1])N1CCCCCC1 COc1cccc(c1)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[*:1]
COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCCC2)c1 COc1cccc(c1)[*:1] O=C(CCC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[*:1])N1CCCCCC1
CCOc1ccc(NC(=O)CN2CCN(CC)C(=O)C2=O)cc1 CCO[*:1] CCN1CCN(CC(=O)Nc2ccc(cc2)[*:1])C(=O)C1=O
CC(C)C[NH+]1CCN([C@H](C)[C@@H](C)C(=O)[O-])CC1 CC(C)[*:1] C[C@@H](C(=O)[O-])[C@@H](C)N1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN([C@H](C)[C@@H](C)C(=O)[O-])CC1 C[C@@H](C(=O)[O-])[*:1] CC(C)C[NH+]1CCN(CC1)[C@H](C)[*:1]
CC(C)C[NH+]1CCN([C@H](C)[C@@H](C)C(=O)[O-])CC1 O=C([O-])[*:1] CC(C)C[NH+]1CCN(CC1)[C@H](C)[C@@H](C)[*:1]
CC(C)C[NH+]1CCN([C@H](C)[C@@H](C)C(=O)[O-])CC1 CC(C)C[*:1] C[C@@H](C(=O)[O-])[C@@H](C)N1CC[NH+](CC1)[*:1]
CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCO[C@@H]1C CC(C)[*:1] C[C@H]1OCC[C@H]1C(=O)N(CC[NH+](C)C)C[*:1]
CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCO[C@@H]1C CC(C)C[*:1] C[C@H]1OCC[C@H]1C(=O)N(CC[NH+](C)C)[*:1]
CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCO[C@@H]1C C[C@H]1OCC[C@H]1[*:1] CC(C)CN(CC[NH+](C)C)C(=O)[*:1]
CC[C@@](C)([NH2+]CCC(=O)NC(C)C)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)([NH2+]CCC(=O)NC(C)C)[*:1]
CC[C@@](C)([NH2+]CCC(=O)NC(C)C)C(=O)[O-] CC(C)[*:1] CC[C@@](C)([NH2+]CCC(=O)N[*:1])C(=O)[O-]
CC(C)(C)[NH2+]CC(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1 CC(C)(C)[*:1] O=C(C[NH2+][*:1])N[C@@H]1CCC[C@@H](C1)C(=O)[O-]
CC(C)(C)[NH2+]CC(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC(C)(C)[NH2+]CC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CCc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N([C@H](C)COC)C2=O CCc1ccccc1[*:1] COC[C@@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
CCc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N([C@H](C)COC)C2=O COC[*:1] CCc1ccccc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[C@H](C)[*:1]
Cc1nc(CN2CCN(C(=O)NCCCC3CCCC3)CC2)cs1 C1CCC(C1)C[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)NCC[*:1]
Cc1nc(CN2CCN(C(=O)NCCCC3CCCC3)CC2)cs1 C1CCC(C1)CC[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)NC[*:1]
Cc1nc(CN2CCN(C(=O)NCCCC3CCCC3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(NCCCC1CCCC1)N1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(C(=O)NCCCC3CCCC3)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(NCCCC1CCCC1)N1CCN(CC1)[*:1]
Cc1nc(CN2CCN(C(=O)NCCCC3CCCC3)CC2)cs1 C1CCC(C1)CCC[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)N[*:1]
Cc1nc(CN2CCN(C(=O)NCCCC3CCCC3)CC2)cs1 C1CCC(C1)[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)NCCC[*:1]
N#Cc1cccc(NNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 N#Cc1cccc(c1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)NN[*:1]
N#Cc1cccc(NNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 C1CCN(C1)[*:1] N#Cc1cccc(c1)NNC(=O)NCc1ccc([nH+]c1)[*:1]
CC(=O)[C@H](C)n1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 CC(=O)[C@H](C)[*:1] O=C1C[C@H](CN1c1cccc(Cl)c1)c1nc2ccccc2n1[*:1]
CC(=O)[C@H](C)n1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 Clc1cccc(c1)[*:1] CC(=O)[C@H](C)n1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
CC(=O)[C@H](C)n1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 CC(=O)[*:1] C[C@H](n1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)c1cccc(Cl)c1)[*:1]
CC(C)=CC(=O)Nc1ccc(S(C)(=O)=O)cc1 CC(C)=C[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)=CC(=O)Nc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CC(C)=CC(=O)Nc1ccc(cc1)[*:1]
CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(Cc1ccc(cc1)C(N)=O)C(=O)c1ccc(cc1)[*:1]
CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 NC(=O)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1ccc(cc1)[N+](=O)[O-]
CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 CC[C@@H](C)NC(=O)[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)N1CCN(CC1)C[*:1]
CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 CC[C@@H](C)NC(=O)C[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)N1CCN(CC1)[*:1]
CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 CC[C@@H](C)[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)N1CCN(CC1)CC(=O)N[*:1]
N#CCSCCCSc1nnc([C@H]2CCCCO2)n1N N#CC[*:1] Nn1c(nnc1[C@H]1CCCCO1)SCCCS[*:1]
N#CCSCCCSc1nnc([C@H]2CCCCO2)n1N N#CCSCC[*:1] Nn1c(nnc1[C@H]1CCCCO1)SC[*:1]
N#CCSCCCSc1nnc([C@H]2CCCCO2)n1N C1CC[C@@H](OC1)[*:1] N#CCSCCCSc1nnc(n1N)[*:1]
N#CCSCCCSc1nnc([C@H]2CCCCO2)n1N N#CCSC[*:1] Nn1c(nnc1[C@H]1CCCCO1)SCC[*:1]
N#CCSCCCSc1nnc([C@H]2CCCCO2)n1N N#CCS[*:1] Nn1c(nnc1[C@H]1CCCCO1)SCCC[*:1]
O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)N1CCN(CC1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 Brc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C1(CCOCC1)[*:1]
CSc1nn(C)cc1C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 CSc1nn(C)cc1[*:1] C[C@@H]1CCCCN1C(=O)CN1CCN(CC1)C(=O)[*:1]
CCOC(=O)N1CCC(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)Nc3ccc(C)c(F)c3)[C@@H]4C2=O)CC1 Cc1ccc(cc1F)[*:1] CCOC(=O)N1CCC(CC1)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N[*:1])[C@@H]3C1=O
CCOC(=O)N1CCC(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)Nc3ccc(C)c(F)c3)[C@@H]4C2=O)CC1 Cc1ccc(cc1F)NC(=O)[*:1] CCOC(=O)N1CCC(CC1)N1C[C@]23C=C[C@H](O2)[C@H]([C@@H]3C1=O)[*:1]
CCOC(=O)N1CCC(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)Nc3ccc(C)c(F)c3)[C@@H]4C2=O)CC1 CCOC(=O)N1CCC(CC1)[*:1] Cc1ccc(cc1F)NC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
Cc1cccc(C)c1OCC(=O)N(C)Cc1nnc2ccccn12 Cc1cccc(C)c1[*:1] CN(Cc1nnc2ccccn12)C(=O)CO[*:1]
CC[C@H](O)CN1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 CC[C@H](O)C[*:1] O=C(CCCc1c[nH]c2ccccc12)N1CCN(CC1)[*:1]
Cc1cc(OC(F)F)c([C@H]2NC(=O)[C@H]3CCCCN23)cc1C FC(F)[*:1] Cc1cc(O[*:1])c(cc1C)[C@H]1NC(=O)[C@H]2CCCCN12
Cc1cc(OC(F)F)c([C@H]2NC(=O)[C@H]3CCCCN23)cc1C FC(F)O[*:1] Cc1cc(c(cc1C)[*:1])[C@H]1NC(=O)[C@H]2CCCCN12
COc1ccc(Nc2cc(Nc3cc(C)ccc3OC)ncn2)cc1 COc1ccc(cc1)[*:1] COc1ccc(C)cc1Nc1cc(ncn1)N[*:1]
CCN1/C(=N/Cc2ccncc2)SC[C@]1(O)c1ccc(C)cc1 c1cc(ccn1)[*:1] CCN1/C(=N/C[*:1])SC[C@]1(O)c1ccc(C)cc1
CCN1/C(=N/Cc2ccncc2)SC[C@]1(O)c1ccc(C)cc1 c1cc(ccn1)C[*:1] CCN1C(=N[*:1])SC[C@]1(O)c1ccc(C)cc1
CCN1/C(=N/Cc2ccncc2)SC[C@]1(O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN1/C(=N/Cc2ccncc2)SC[C@@]1(O)[*:1]
O[C@@H]1c2ccccc2C[C@@H]1Cc1nccs1 c1csc(n1)[*:1] O[C@@H]1c2ccccc2C[C@@H]1C[*:1]
COc1cccc(Cl)c1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cccc(Cl)c1C[NH2+][C@H](C)c1ccc(C)c(c1)[*:1]
C#CCN(C(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(NC1CC1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(C(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] C#CCN(C(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cccc(NC(=O)CCNc2c(O)c(=O)c2=[N+]2CCCC2)c1C Cc1cccc(c1C)[*:1] O=C(CCNc1c(O)c(=O)c1=[N+]1CCCC1)N[*:1]
O=C(Cc1ccc(F)c(F)c1)N1CCCC[C@H]1CCCl ClCC[*:1] O=C(Cc1ccc(F)c(F)c1)N1CCCC[C@@H]1[*:1]
CCOCCN(C)C(=O)c1ccn(-c2cc(C)ccc2OC)n1 CCOCC[*:1] COc1ccc(C)cc1-n1ccc(n1)C(=O)N(C)[*:1]
CCOCCN(C)C(=O)c1ccn(-c2cc(C)ccc2OC)n1 CCOC[*:1] COc1ccc(C)cc1-n1ccc(n1)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)c1ccn(-c2cc(C)ccc2OC)n1 CCO[*:1] COc1ccc(C)cc1-n1ccc(n1)C(=O)N(C)CC[*:1]
COc1ccc(OC)c(C[NH+]2CCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)c1 COc1ccc(OC)c(c1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)CN1CC[NH+](CC1)C[*:1]
CC(=O)c1ccc(OC[C@H](O)Cn2cnc3cc(F)c(F)cc32)cc1 CC(=O)[*:1] O[C@@H](COc1ccc(cc1)[*:1])Cn1cnc2cc(F)c(F)cc21
CCCCCCNC(=O)CN1C(=O)C[C@@H](C)C1=O CCCCC[*:1] C[C@@H]1CC(=O)N(CC(=O)NC[*:1])C1=O
CCCCCCNC(=O)CN1C(=O)C[C@@H](C)C1=O CCC[*:1] C[C@@H]1CC(=O)N(CC(=O)NCCC[*:1])C1=O
CCCCCCNC(=O)CN1C(=O)C[C@@H](C)C1=O CCCC[*:1] C[C@@H]1CC(=O)N(CC(=O)NCC[*:1])C1=O
CCCCCCNC(=O)CN1C(=O)C[C@@H](C)C1=O CCCCCC[*:1] C[C@@H]1CC(=O)N(CC(=O)N[*:1])C1=O
Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)N(C)[C@H](C)c1ccc(cc1)S(N)(=O)=O
Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] NS(=O)(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C)o2)o1 Cc1ccc(o1)[*:1] Cc1ccc(o1)C(=O)Nc1ccccc1NC(=O)[*:1]
O=C([O-])CC1(NC(=O)c2cc(Cl)ccc2Cl)CCC1 O=C([O-])C[*:1] O=C(NC1(CCC1)[*:1])c1cc(Cl)ccc1Cl
O=C([O-])CC1(NC(=O)c2cc(Cl)ccc2Cl)CCC1 O=C([O-])[*:1] O=C(NC1(CCC1)C[*:1])c1cc(Cl)ccc1Cl
CC(C)[C@@H](NC(=O)c1ccc([O-])nn1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(N[C@@H](c1nc2ccccc2[nH]1)[*:1])c1ccc([O-])nn1
COC[C@H](NC(=O)N1CCC([C@@H](C)O)CC1)c1ccc(F)c(F)c1 C[C@@H](O)[*:1] COC[C@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)N1CCC([C@@H](C)O)CC1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)N1CCC(CC1)[C@@H](C)O)[*:1]
COC[C@H](NC(=O)N1CCC([C@@H](C)O)CC1)c1ccc(F)c(F)c1 COC[*:1] C[C@@H](O)C1CCN(CC1)C(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
Cc1c(F)cccc1NC(=O)C(=O)NCc1ccccc1F Fc1ccccc1[*:1] Cc1c(F)cccc1NC(=O)C(=O)NC[*:1]
COc1cccc(C(N)=O)c1OCc1ccc(F)cc1F NC(=O)[*:1] COc1cccc(c1OCc1ccc(F)cc1F)[*:1]
CSC[C@H](C)N(C)C(=O)/C=C(/C)c1ccccc1OC(F)F FC(F)[*:1] CSC[C@H](C)N(C)C(=O)/C=C(/C)c1ccccc1O[*:1]
CSC[C@H](C)N(C)C(=O)/C=C(/C)c1ccccc1OC(F)F CSC[*:1] C/C(=C/C(=O)N(C)[C@@H](C)[*:1])c1ccccc1OC(F)F
CSC[C@H](C)N(C)C(=O)/C=C(/C)c1ccccc1OC(F)F FC(F)O[*:1] CSC[C@H](C)N(C)C(=O)/C=C(/C)c1ccccc1[*:1]
O=C(c1ccsc1)N1CCN(Cc2nc3ccccc3s2)CC1 c1cc(cs1)[*:1] O=C(N1CCN(CC1)Cc1nc2ccccc2s1)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1ccc(C)c(OC(F)F)c1 C[C@H](C#N)C[*:1] CCN(C(=O)Nc1ccc(C)c(c1)OC(F)F)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1ccc(C)c(OC(F)F)c1 FC(F)O[*:1] CCN(C[C@H](C)C#N)C(=O)Nc1ccc(C)c(c1)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1ccc(C)c(OC(F)F)c1 FC(F)[*:1] CCN(C[C@H](C)C#N)C(=O)Nc1ccc(C)c(c1)O[*:1]
O=C([O-])[C@H]1CS[C@@H](c2cc(F)ccc2Br)N1 O=C([O-])[*:1] Fc1ccc(Br)c(c1)[C@H]1N[C@H](CS1)[*:1]
CC(C)[C@@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1cccs1 CC(C)[*:1] O=C(N[C@@H](c1cccs1)[*:1])C1CCN(CC1)c1ccc2nncn2n1
CC(C)[C@@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)C1CCN(CC1)c1ccc2nncn2n1)[*:1]
CC(C)[C@@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1cccs1 c1cc2nncn2nc1[*:1] CC(C)[C@@H](NC(=O)C1CCN(CC1)[*:1])c1cccs1
COc1cc2[nH]c(=S)n(/N=C/c3cccc([N+](=O)[O-])c3)c(=O)c2cc1OC O=[N+]([O-])c1cccc(c1)[*:1] COc1cc2[nH]c(=S)n(N=C[*:1])c(=O)c2cc1OC
COc1cc2[nH]c(=S)n(/N=C/c3cccc([N+](=O)[O-])c3)c(=O)c2cc1OC O=[N+]([O-])[*:1] COc1cc2[nH]c(=S)n(/N=C/c3cccc(c3)[*:1])c(=O)c2cc1OC
CN(C)c1nc(N2CCC[C@@H](Cn3cc(CCO)nn3)C2)ncc1F OCC[*:1] CN(C)c1nc(ncc1F)N1CCC[C@H](C1)Cn1cc(nn1)[*:1]
CN(C)c1nc(N2CCC[C@@H](Cn3cc(CCO)nn3)C2)ncc1F CN(C)[*:1] OCCc1cn(C[C@@H]2CCCN(C2)c2ncc(F)c(n2)[*:1])nn1
CN(C)c1nc(N2CCC[C@@H](Cn3cc(CCO)nn3)C2)ncc1F OCCc1cn(nn1)[*:1] CN(C)c1nc(ncc1F)N1CCC[C@H](C1)C[*:1]
CC(=O)c1cccc(S(=O)(=O)N2CCN(c3nccs3)CC2)c1 CC(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCN(CC1)c1nccs1
CC(=O)c1cccc(S(=O)(=O)N2CCN(c3nccs3)CC2)c1 c1csc(n1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1cccs1 c1csc(c1)[*:1] O=C(CSc1nnc(o1)-c1ccc(Br)cc1)[*:1]
O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1cccs1 O=C(c1cccs1)[*:1] Brc1ccc(cc1)-c1nnc(o1)SC[*:1]
O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1cccs1 Brc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])c1cccs1
CC(C)(C)CCC(=O)N[C@]1(C)CCS(=O)(=O)C1 CC(C)(C)C[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)C[*:1]
CC(C)(C)CCC(=O)N[C@]1(C)CCS(=O)(=O)C1 CC(C)(C)[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)CC[*:1]
CC(C)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)C(=O)N[*:1] CC(C)(C)NC(=O)c1cccc(c1)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] CC(C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(C)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)[*:1]
O=C(c1cnn2ccccc12)N1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] O=C(c1cnn2ccccc12)N1CCN(CC1)S(=O)(=O)[*:1]
CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)OC)c1 COC(=O)[*:1] CCC(=O)Nc1cccc(c1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)OC)c1 CCC(=O)N[*:1] COC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(c1)[*:1]
O=C(NC1CCCC1)c1cccc(NC(=O)c2ccc(Br)o2)c1 Brc1ccc(o1)[*:1] O=C(NC1CCCC1)c1cccc(c1)NC(=O)[*:1]
O=C(NC1CCCC1)c1cccc(NC(=O)c2ccc(Br)o2)c1 C1CCC(C1)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1ccc(Br)o1
O=C(NCCCn1ccnc1)c1sc2cc(F)ccc2c1Cl c1cn(cn1)C[*:1] O=C(NCC[*:1])c1sc2cc(F)ccc2c1Cl
O=C(NCCCn1ccnc1)c1sc2cc(F)ccc2c1Cl c1cn(cn1)CC[*:1] O=C(NC[*:1])c1sc2cc(F)ccc2c1Cl
O=C(NCCCn1ccnc1)c1sc2cc(F)ccc2c1Cl c1cn(cn1)[*:1] O=C(NCCC[*:1])c1sc2cc(F)ccc2c1Cl
Cc1ccc(C)c(NC(=O)[C@@H](C)S(=O)(=O)[C@@H](C)C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](C)S(=O)(=O)[C@@H](C)[*:1]
CCn1ccnc1S[C@@H](C)C(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] CCn1ccnc1S[C@@H](C)C(=O)Nc1ccccc1[*:1]
CCn1ccnc1S[C@@H](C)C(=O)Nc1ccccc1N1CCCC1=O CCn1ccnc1[*:1] C[C@H](S[*:1])C(=O)Nc1ccccc1N1CCCC1=O
CCn1ccnc1S[C@@H](C)C(=O)Nc1ccccc1N1CCCC1=O CCn1ccnc1S[*:1] C[C@@H](C(=O)Nc1ccccc1N1CCCC1=O)[*:1]
Cc1ccc(C)c(OCCSCc2cc(=O)n3ccccc3n2)c1 Cc1ccc(C)c(c1)[*:1] O=c1cc(CSCCO[*:1])nc2ccccn12
COC(=O)COc1c(C)cc(/C=C/C(=O)c2cnn(C)c2)cc1C Cn1cc(cn1)C(=O)[*:1] COC(=O)COc1c(C)cc(C=C[*:1])cc1C
COC(=O)COc1c(C)cc(/C=C/C(=O)c2cnn(C)c2)cc1C COC(=O)C[*:1] Cc1cc(/C=C/C(=O)c2cnn(C)c2)cc(C)c1O[*:1]
COC(=O)COc1c(C)cc(/C=C/C(=O)c2cnn(C)c2)cc1C Cn1cc(cn1)[*:1] COC(=O)COc1c(C)cc(/C=C/C(=O)[*:1])cc1C
COC(=O)COc1c(C)cc(/C=C/C(=O)c2cnn(C)c2)cc1C COC(=O)CO[*:1] Cc1cc(/C=C/C(=O)c2cnn(C)c2)cc(C)c1[*:1]
COC(=O)COc1c(C)cc(/C=C/C(=O)c2cnn(C)c2)cc1C COC(=O)[*:1] Cc1cc(/C=C/C(=O)c2cnn(C)c2)cc(C)c1OC[*:1]
COc1ccc(NC(=O)N[C@@H]2CC=CCC2)cc1N1CCCCC1=O O=C1CCCCN1[*:1] COc1ccc(cc1[*:1])NC(=O)N[C@@H]1CC=CCC1
CNC(=O)[C@H](C)CN(C)C(=O)CSc1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(cc1)SCC(=O)N(C)C[C@@H](C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)CSc1ccc(C)cc1 CNC(=O)[C@H](C)[*:1] Cc1ccc(cc1)SCC(=O)N(C)C[*:1]
CCc1onc(C)c1NC(=O)N(C)Cc1ccc(OC)cc1OC CCc1onc(C)c1[*:1] COc1ccc(CN(C)C(=O)N[*:1])c(c1)OC
Cc1nc2ccccc2c(=O)n1CCC(=O)N[C@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1nc2ccccc2c(=O)n1CCC(=O)N[C@H](C)[*:1]
Cc1ccc(SC2=C([N+](=O)[O-])N=C(C(C)C)[C@H]2CC(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@@H]1C(=NC(=C1S[*:1])[N+](=O)[O-])C(C)C
Cc1ccc(SC2=C([N+](=O)[O-])N=C(C(C)C)[C@H]2CC(C)C)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)SC1=C(N=C(C(C)C)[C@H]1CC(C)C)[*:1]
Cc1ccc(SC2=C([N+](=O)[O-])N=C(C(C)C)[C@H]2CC(C)C)cc1 CC(C)C[*:1] Cc1ccc(cc1)SC1=C(N=C(C(C)C)[C@@H]1[*:1])[N+](=O)[O-]
Cc1ccc(SC2=C([N+](=O)[O-])N=C(C(C)C)[C@H]2CC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)SC1=C(N=C(C(C)C)[C@H]1C[*:1])[N+](=O)[O-]
Cc1ccc(SC2=C([N+](=O)[O-])N=C(C(C)C)[C@H]2CC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)SC1=C(N=C([C@H]1CC(C)C)[*:1])[N+](=O)[O-]
COc1cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)c(OC)cc1Cl COc1cc(c(cc1Cl)OC)[*:1] O=C(N[*:1])c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)F)c1ccccc1
COc1cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)c(OC)cc1Cl FC(F)(F)[*:1] COc1cc(NC(=O)c2cc3N[C@@H](C[C@@H](n3n2)[*:1])c2ccccc2)c(cc1Cl)OC
COc1cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)c(OC)cc1Cl c1ccc(cc1)[*:1] COc1cc(NC(=O)c2cc3N[C@H](C[C@H](n3n2)C(F)(F)F)[*:1])c(cc1Cl)OC
CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)Nc2nnc(C(C)C)s2)c1 CC(C)O[*:1] CC(C)c1nnc(NC(=O)C(=O)N[C@@H](C)c2cccc(c2)[*:1])s1
CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)Nc2nnc(C(C)C)s2)c1 CC(C)[*:1] CC(C)c1nnc(NC(=O)C(=O)N[C@@H](C)c2cccc(c2)O[*:1])s1
CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)Nc2nnc(C(C)C)s2)c1 CC(C)c1nnc(s1)[*:1] CC(C)Oc1cccc(c1)[C@H](C)NC(=O)C(=O)N[*:1]
CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)Nc2nnc(C(C)C)s2)c1 CC(C)[*:1] CC(C)Oc1cccc(c1)[C@H](C)NC(=O)C(=O)Nc1nnc(s1)[*:1]
CN1CCC([NH+]2CCC(c3nc(CC4CC[NH+](C)CC4)no3)CC2)CC1 CN1CCC(CC1)[*:1] C[NH+]1CCC(CC1)Cc1noc(n1)C1CC[NH+](CC1)[*:1]
CCc1ncc2c(n1)CN(c1ccnc(-c3ccccc3)n1)CC2 c1ccc(cc1)[*:1] CCc1ncc2CCN(Cc2n1)c1ccnc(n1)[*:1]
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 Fc1cccc(F)c1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NC1CCN(CC1)C(=O)c1ccoc1
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(CC1)C(=O)[*:1]
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC(C)[*:1] O=C(N[C@H](C(=O)NC1CCN(CC1)C(=O)c1ccoc1)[*:1])c1c(F)cccc1F
COc1cccc(Nc2nc(-c3ccc(OC)c(OC)c3)c(C)s2)c1 COc1cccc(c1)[*:1] COc1ccc(cc1OC)-c1nc(N[*:1])sc1C
CCN(CC)C(=O)CN(C)c1cccc(C(=O)OC)n1 COC(=O)[*:1] CCN(CC)C(=O)CN(C)c1cccc(n1)[*:1]
CCC(CC)[C@@H](O)CNc1ccc(-n2ccc(C)n2)nn1 CCC(CC)[C@@H](O)[*:1] Cc1ccn(n1)-c1ccc(nn1)NC[*:1]
CCC(CC)[C@@H](O)CNc1ccc(-n2ccc(C)n2)nn1 CCC(CC)[*:1] Cc1ccn(n1)-c1ccc(nn1)NC[C@H](O)[*:1]
CCC(CC)[C@@H](O)CNc1ccc(-n2ccc(C)n2)nn1 Cc1ccn(n1)[*:1] CCC(CC)[C@@H](O)CNc1ccc(nn1)[*:1]
Cc1nn(-c2ccccc2)c2c1[C@H](NC(=O)c1ccccc1F)CC(C)(C)C2 c1ccc(cc1)[*:1] Cc1nn(c2CC(C)(C)C[C@@H](NC(=O)c3ccccc3F)c12)[*:1]
Cc1nn(-c2ccccc2)c2c1[C@H](NC(=O)c1ccccc1F)CC(C)(C)C2 Fc1ccccc1[*:1] Cc1nn(-c2ccccc2)c2CC(C)(C)C[C@@H](NC(=O)[*:1])c12
O=C([O-])c1nnn(-c2cccc(OC(F)(F)F)c2)c1-c1ccncc1 FC(F)(F)O[*:1] O=C([O-])c1nnn(-c2cccc(c2)[*:1])c1-c1ccncc1
O=C([O-])c1nnn(-c2cccc(OC(F)(F)F)c2)c1-c1ccncc1 O=C([O-])[*:1] FC(F)(F)Oc1cccc(c1)-n1nnc(c1-c1ccncc1)[*:1]
O=C([O-])c1nnn(-c2cccc(OC(F)(F)F)c2)c1-c1ccncc1 FC(F)(F)[*:1] O=C([O-])c1nnn(-c2cccc(c2)O[*:1])c1-c1ccncc1
O=C([O-])c1nnn(-c2cccc(OC(F)(F)F)c2)c1-c1ccncc1 c1cc(ccn1)[*:1] O=C([O-])c1nnn(-c2cccc(c2)OC(F)(F)F)c1[*:1]
COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] COCCNC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 COCC[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N[*:1]
COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 COC[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NC[*:1]
COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 COCCNC(=O)[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1ccccc1
COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 COCCNC(=O)C[*:1] O=c1c2ccccc2nc(S[*:1])n1-c1ccccc1
CC[NH+](CC)Cc1ccc(CNC(=O)N2CCOC[C@H]2C2CC2)cc1 C1CC1[*:1] CC[NH+](CC)Cc1ccc(cc1)CNC(=O)N1CCOC[C@@H]1[*:1]
O=C1CCCN1CC/C([O-])=N/S(=O)(=O)Cc1ccccc1Cl O=C1CCCN1C[*:1] O=S(=O)(Cc1ccccc1Cl)/N=C(\[O-])C[*:1]
O=C1CCCN1CC/C([O-])=N/S(=O)(=O)Cc1ccccc1Cl Clc1ccccc1[*:1] O=C1CCCN1CC/C([O-])=N/S(=O)(=O)C[*:1]
O=C1CCCN1CC/C([O-])=N/S(=O)(=O)Cc1ccccc1Cl O=C1CCCN1[*:1] O=S(=O)(Cc1ccccc1Cl)/N=C(\[O-])CC[*:1]
Cc1cnc([C@H](NC(=O)c2cnc(Oc3ccccc3)cn2)C2CC2)s1 Cc1cnc(s1)[*:1] O=C(N[C@H](C1CC1)[*:1])c1cnc(cn1)Oc1ccccc1
Cc1cnc([C@H](NC(=O)c2cnc(Oc3ccccc3)cn2)C2CC2)s1 c1ccc(cc1)O[*:1] Cc1cnc(s1)[C@H](NC(=O)c1cnc(cn1)[*:1])C1CC1
Cc1cnc([C@H](NC(=O)c2cnc(Oc3ccccc3)cn2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H](NC(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
Cc1cnc([C@H](NC(=O)c2cnc(Oc3ccccc3)cn2)C2CC2)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)[C@H](NC(=O)c1cnc(cn1)O[*:1])C1CC1
Cc1cc(OCC(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)ccc1Cl c1cn(cn1)[*:1] Cc1cc(ccc1Cl)OCC(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1cc(OCC(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccc(nn1)-n1ccnc1
Cc1cc(OCC(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)ccc1Cl Cc1cc(ccc1Cl)O[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(nn1)-n1ccnc1
CCc1ccsc1C[NH2+]C[C@@H](O)CC CC[C@H](O)[*:1] CCc1ccsc1C[NH2+]C[*:1]
CC[C@H](NC(=O)c1cnn(C)c1C)c1ccccc1OCC(=O)NC CNC(=O)CO[*:1] CC[C@H](NC(=O)c1cnn(C)c1C)c1ccccc1[*:1]
CC[C@H](NC(=O)c1cnn(C)c1C)c1ccccc1OCC(=O)NC CNC(=O)C[*:1] CC[C@H](NC(=O)c1cnn(C)c1C)c1ccccc1O[*:1]
CC[C@H](NC(=O)c1cnn(C)c1C)c1ccccc1OCC(=O)NC CNC(=O)[*:1] CC[C@H](NC(=O)c1cnn(C)c1C)c1ccccc1OC[*:1]
CC[C@H](NC(=O)c1cnn(C)c1C)c1ccccc1OCC(=O)NC Cc1c(cnn1C)[*:1] CC[C@H](NC(=O)[*:1])c1ccccc1OCC(=O)NC
O=C(NNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2)c1cccc(Cl)c1 O=C([O-])[*:1] O=C(NNC(=O)[C@H]1[C@@H]([C@H]2CC[C@@H]1C2)[*:1])c1cccc(Cl)c1
O=C(NNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)NNC(=O)[*:1]
CC(C)C1N2CC3([N+](=O)[O-])CN1CC([N+](=O)[O-])(C2)C3(C)C CC(C)[*:1] CC1(C)C2(CN3CC1(CN(C2)C3[*:1])[N+](=O)[O-])[N+](=O)[O-]
CC(C)C1N2CC3([N+](=O)[O-])CN1CC([N+](=O)[O-])(C2)C3(C)C O=[N+]([O-])[*:1] CC(C)C1N2CC3(CN1CC(C2)(C3(C)C)[*:1])[N+](=O)[O-]
O=C([O-])c1cc(-c2ccoc2)nc2c(F)cccc12 O=C([O-])[*:1] Fc1cccc2c(cc(nc12)-c1ccoc1)[*:1]
O=C([O-])c1cc(-c2ccoc2)nc2c(F)cccc12 c1cc(co1)[*:1] O=C([O-])c1cc(nc2c(F)cccc12)[*:1]
COC(=O)c1sc(NC(=O)[C@H]2CSc3ccccc32)nc1C1CC1 COC(=O)[*:1] O=C(Nc1nc(c(s1)[*:1])C1CC1)[C@H]1CSc2ccccc21
COC(=O)c1sc(NC(=O)[C@H]2CSc3ccccc32)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)[C@H]1CSc2ccccc21
OC[C@@H]1CCCN(c2[nH+]c3ccccc3n2Cc2cc(Cl)ccc2Cl)C1 Clc1ccc(Cl)c(c1)[*:1] OC[C@@H]1CCCN(C1)c1[nH+]c2ccccc2n1C[*:1]
CC(=O)N(C)C1CCN(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)N1CCC(CC1)[*:1]
Cn1ccc2ccc(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc21 CC(C)(C)[*:1] Cn1ccc2ccc(cc21)NC(=O)CC1CN(C1)C(=O)O[*:1]
Cc1ccc(O)c(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(O)c(c1)C(=O)N1CCN(CC1)[C@@H](C(N)=O)[*:1]
Cc1ccc(O)c(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 Cc1ccc(O)c(c1)[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(O)c(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 NC(=O)[*:1] Cc1ccc(O)c(c1)C(=O)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
COc1cccc(S(=O)(=O)NCC2CCN(C(=O)c3snnc3C)CC2)c1 Cc1nnsc1[*:1] COc1cccc(c1)S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
COc1cccc(S(=O)(=O)NCC2CCN(C(=O)c3snnc3C)CC2)c1 COc1cccc(c1)[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNS(=O)(=O)[*:1]
COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Nc2cccnc2Cl)cc1 Clc1ncccc1[*:1] COc1ccc(cc1)[C@@](C)(O)[C@@H]1CCCN1C(=O)N[*:1]
COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Nc2cccnc2Cl)cc1 COc1ccc(cc1)[*:1] C[C@@](O)([C@@H]1CCCN1C(=O)Nc1cccnc1Cl)[*:1]
CC[C@@H](CCO)NC(=O)NCCc1ccc(C)cc1C CC[C@@H](CCO)[*:1] Cc1ccc(CCNC(=O)N[*:1])c(C)c1
CC[C@@H](CCO)NC(=O)NCCc1ccc(C)cc1C OCC[*:1] CC[C@@H](NC(=O)NCCc1ccc(C)cc1C)[*:1]
C[C@@H](C(=O)OCC(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O O=C(N1CCCCC1)[*:1] C[C@@H](C(=O)OC[*:1])N1C(=O)c2ccccc2C1=O
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1cccc(c1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)NC(=O)[C@H]1CC(=O)N(C1)C1CCCC1
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)[C@H]1CC(=O)N(C1)C1CCCC1
CNC(=O)c1cc(NC(=O)[C@H](C)[NH+]2CCCCCC2)ccc1Cl CNC(=O)[*:1] C[C@@H](C(=O)Nc1ccc(Cl)c(c1)[*:1])[NH+]1CCCCCC1
CCOC(=O)N1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(=O)OC)C1 Clc1c(sc2ccccc12)[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2C(=O)OC
CCOC(=O)N1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(=O)OC)C1 COC(=O)[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)c1sc3ccccc3c1Cl)c2[*:1]
O=C([O-])C[C@H](c1ccsc1)n1cccc1 c1ccn(c1)[*:1] O=C([O-])C[C@H](c1ccsc1)[*:1]
O=C([O-])C[C@H](c1ccsc1)n1cccc1 c1cc(cs1)[*:1] O=C([O-])C[C@H](n1cccc1)[*:1]
O=C([O-])C[C@H](c1ccsc1)n1cccc1 O=C([O-])[*:1] c1ccn(c1)[C@H](C[*:1])c1ccsc1
O=C([O-])C[C@H](c1ccsc1)n1cccc1 O=C([O-])C[*:1] c1ccn(c1)[C@@H](c1ccsc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cnsn3)CC2)cc1 c1nsnc1[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cnsn3)CC2)cc1 CCO[*:1] O=C(c1cnsn1)N1CC=C(CC1)c1ccc(cc1)[*:1]
CCn1nc2c(cc1=O)C[NH+](CCS(C)(=O)=O)CC2 CS(=O)(=O)[*:1] CCn1nc2CC[NH+](CC[*:1])Cc2cc1=O
CCn1nc2c(cc1=O)C[NH+](CCS(C)(=O)=O)CC2 CS(=O)(=O)CC[*:1] CCn1nc2CC[NH+](Cc2cc1=O)[*:1]
CCn1nc2c(cc1=O)C[NH+](CCS(C)(=O)=O)CC2 CS(=O)(=O)C[*:1] CCn1nc2CC[NH+](Cc2cc1=O)C[*:1]
Cc1cc(C)n(CCCNC(=O)Nc2ccc(Cl)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCCC[*:1])Nc1ccc(Cl)cc1
Cc1cc(C)n(CCCNC(=O)Nc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1cc(C)n(CCCNC(=O)N[*:1])n1
N#Cc1cccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 O=C(Nc1ccccc1)[*:1] N#Cc1cccc(c1)S(=O)(=O)Nc1ccccc1[*:1]
N#Cc1cccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 N#Cc1cccc(c1)[*:1] O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)[*:1]
N#Cc1cccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)S(=O)(=O)Nc1ccccc1C(=O)N[*:1]
CCc1ccc(-n2nc3ccc(NC(=S)NC(C)=O)cc3n2)cc1 CCc1ccc(cc1)[*:1] CC(=O)NC(=S)Nc1ccc2nn(nc2c1)[*:1]
CCc1ccc(-n2nc3ccc(NC(=S)NC(C)=O)cc3n2)cc1 CC(=O)NC(=S)N[*:1] CCc1ccc(cc1)-n1nc2ccc(cc2n1)[*:1]
Nc1nnc(CCCNC(=O)c2ccccc2[N+](=O)[O-])s1 Nc1nnc(s1)[*:1] O=C(NCCC[*:1])c1ccccc1[N+](=O)[O-]
Nc1nnc(CCCNC(=O)c2ccccc2[N+](=O)[O-])s1 Nc1nnc(C[*:1])s1 O=C(NCC[*:1])c1ccccc1[N+](=O)[O-]
Nc1nnc(CCCNC(=O)c2ccccc2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] Nc1nnc(CCCNC(=O)c2ccccc2[*:1])s1
C[C@H]1C(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] C[C@H]1C(=O)N(CC(=O)NCC[*:1])C(=O)N1c1ccccc1
C[C@H]1C(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C(=O)N1[*:1]
CCOc1ccccc1OCC(=O)Nc1cc(-c2ccccc2)ns1 CCO[*:1] O=C(COc1ccccc1[*:1])Nc1cc(ns1)-c1ccccc1
CCOc1ccccc1OCC(=O)Nc1cc(-c2ccccc2)ns1 c1ccc(cc1)[*:1] CCOc1ccccc1OCC(=O)Nc1cc(ns1)[*:1]
C=CCCCN(C)C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 C=CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)CNC(=O)N(C)C[*:1]
C=CCCCN(C)C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 C=CC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)CNC(=O)N(C)CC[*:1]
C=CCCCN(C)C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 C=CCCC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)CNC(=O)N(C)[*:1]
O=[N+]([O-])c1ccccc1COc1ccc(CBr)nc1 O=[N+]([O-])[*:1] BrCc1ccc(cn1)OCc1ccccc1[*:1]
CC(C)CCn1cccc1C[NH+]1CCC(c2nncn2C)CC1 CC(C)CC[*:1] Cn1cnnc1C1CC[NH+](CC1)Cc1cccn1[*:1]
CC(C)CCn1cccc1C[NH+]1CCC(c2nncn2C)CC1 CC(C)C[*:1] Cn1cnnc1C1CC[NH+](CC1)Cc1cccn1C[*:1]
CC(C)CCn1cccc1C[NH+]1CCC(c2nncn2C)CC1 CC(C)[*:1] Cn1cnnc1C1CC[NH+](CC1)Cc1cccn1CC[*:1]
CC(C)CCn1cccc1C[NH+]1CCC(c2nncn2C)CC1 Cn1cnnc1[*:1] CC(C)CCn1cccc1C[NH+]1CCC(CC1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccco2)on1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)NCc1cc(on1)-c1ccco1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccco2)on1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NCc1cc(on1)-c1ccco1
C[C@@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccco2)on1 c1coc(c1)[*:1] C[C@@H](Oc1ccccc1)C(=O)NCc1cc(on1)[*:1]
CC[C@@H](CCO)CNc1cc2c(cc1N)NC(=O)CC2 OCC[*:1] CC[C@@H](CNc1cc2CCC(=O)Nc2cc1N)[*:1]
CC[C@@H](CCO)CNc1cc2c(cc1N)NC(=O)CC2 CC[C@@H](CCO)[*:1] Nc1cc2NC(=O)CCc2cc1NC[*:1]
CC(C)c1ccc(-n2nnnc2S[C@@H]2C[C@@H](C)OC2=O)cc1 CC(C)[*:1] C[C@@H]1C[C@@H](Sc2nnnn2-c2ccc(cc2)[*:1])C(=O)O1
Cc1[nH]nc(C(N)=O)c1NC(=O)[C@H]1CCO[C@H]1C NC(=O)[*:1] Cc1[nH]nc(c1NC(=O)[C@H]1CCO[C@H]1C)[*:1]
CCCc1cc(NS(=O)(=O)c2cncc(F)c2)n(C)n1 CCC[*:1] Cn1nc(cc1NS(=O)(=O)c1cncc(F)c1)[*:1]
O=c1cccnn1CCCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 O=c1cccnn1C[*:1] O=S(=O)(NCC[*:1])c1ccc(F)c(c1)C(F)(F)F
O=c1cccnn1CCCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=c1cccnn1CCCNS(=O)(=O)c1ccc(F)c(c1)[*:1]
O=c1cccnn1CCCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 O=c1cccnn1[*:1] O=S(=O)(NCCC[*:1])c1ccc(F)c(c1)C(F)(F)F
CSc1c[nH]nc1NC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] CSc1c[nH]nc1NC(=O)c1cccc(c1)[*:1]
Cc1cnc(Cl)nc1NCC(N)=O NC(=O)[*:1] Cc1cnc(Cl)nc1NC[*:1]
Cc1cnc(Cl)nc1NCC(N)=O NC(=O)C[*:1] Cc1cnc(Cl)nc1N[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O CS(=O)(=O)NC[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O Fc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCCC[C@H]1CNS(C)(=O)=O
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O Fc1ccc(cc1)O[*:1] C[C@H](C(=O)N1CCCC[C@H]1CNS(C)(=O)=O)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O CS(=O)(=O)N[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCC[C@H]1C[*:1]
Cc1ccccc1/C=N/c1ccccc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1/C=N/c1ccccc1C(=O)N[*:1]
Cc1ccccc1/C=N/c1ccccc1C(=O)Nc1ccccc1 Cc1ccccc1[*:1] O=C(Nc1ccccc1)c1ccccc1N=C[*:1]
CCc1ccc(N[C@@H]2CC(=O)N(c3ccccc3CC)C2=O)cc1 CCc1ccc(cc1)[*:1] CCc1ccccc1N1C(=O)C[C@@H](N[*:1])C1=O
CCc1ccc(N[C@@H]2CC(=O)N(c3ccccc3CC)C2=O)cc1 CCc1ccccc1[*:1] CCc1ccc(cc1)N[C@@H]1CC(=O)N(C1=O)[*:1]
C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1Cc2ccccc2-c2ccccc2C1 c1cc2OCCOc2cc1[*:1] C[C@H](C(=O)N[*:1])[NH+]1Cc2ccccc2-c2ccccc2C1
[NH3+]C1(CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)[O-])CCC1 O=C([O-])[*:1] [NH3+]C1(CCC1)CC(=O)N[C@H](Cc1ccc(O)cc1)[*:1]
[NH3+]C1(CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)[O-])CCC1 Oc1ccc(cc1)[*:1] [NH3+]C1(CCC1)CC(=O)N[C@H](C[*:1])C(=O)[O-]
C/C=C(/C)C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 CC=C(C)[*:1] O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)[*:1]
C/C=C(/C)C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C/C=C(/C)C(=O)NC[C@@H]1CCO[C@@H]1[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)NC[C@H](CCO)CC(C)C)[nH]c2c1 OCC[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)NC[C@H](CC(C)C)[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)NC[C@H](CCO)CC(C)C)[nH]c2c1 CC(C)[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)NC[C@H](CCO)C[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)NC[C@H](CCO)CC(C)C)[nH]c2c1 CC(C)C[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)NC[C@H](CCO)[*:1]
O=C(CCc1ccc(Cl)cc1)NC[C@H](O)c1ccco1 c1coc(c1)[*:1] O=C(CCc1ccc(Cl)cc1)NC[C@H](O)[*:1]
COC(=O)c1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)Cn1cccc1-c1nc(no1)[*:1]
COC(=O)c1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 COC(=O)c1ccccc1[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(Cl)cc1)N[*:1]
COC(=O)c1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 COC(=O)[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(Cl)cc1)Nc1ccccc1[*:1]
CC(C)[C@H](NC(=O)NNC(=O)c1cccc2ncccc12)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)NNC(=O)c1cccc2ncccc12)[*:1]
CC(C)[C@H](NC(=O)NNC(=O)c1cccc2ncccc12)c1ccccn1 CC(C)[*:1] O=C(NNC(=O)c1cccc2ncccc12)N[C@H](c1ccccn1)[*:1]
Cc1ccc(NNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(NN[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
Cc1ccc(NNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1Cl c1ccc(nc1)[*:1] Cc1ccc(cc1Cl)NNC(=O)[C@@H]1CCCN1C(=O)[*:1]
Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)OCC(=O)Nc1cc(ccc1F)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)OCC(=O)Nc1cc(ccc1F)[N+](=O)[O-])[*:1]
NC(=O)C1CCN(C(=O)NCc2ccccc2OC2CCCC2)CC1 NC(=O)[*:1] O=C(NCc1ccccc1OC1CCCC1)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)NCc2ccccc2OC2CCCC2)CC1 C1CCC(C1)[*:1] NC(=O)C1CCN(CC1)C(=O)NCc1ccccc1O[*:1]
NC(=O)C1CCN(C(=O)NCc2ccccc2OC2CCCC2)CC1 C1CCC(C1)O[*:1] NC(=O)C1CCN(CC1)C(=O)NCc1ccccc1[*:1]
Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 Cc1ccc(Cl)cc1[*:1] O=C(N[*:1])c1cccc(c1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O
O=C1CCc2cc(NC(=O)NC[C@@H](O)c3ccc(F)cc3)ccc2N1 Fc1ccc(cc1)[*:1] O=C1CCc2cc(ccc2N1)NC(=O)NC[C@@H](O)[*:1]
O=C([O-])[C@@H]([NH2+]CC1CC1)c1cccc(C2CC2)c1 C1CC1[*:1] O=C([O-])[C@@H]([NH2+]C[*:1])c1cccc(c1)C1CC1
O=C([O-])[C@@H]([NH2+]CC1CC1)c1cccc(C2CC2)c1 C1CC1C[*:1] O=C([O-])[C@@H]([NH2+][*:1])c1cccc(c1)C1CC1
O=C([O-])[C@@H]([NH2+]CC1CC1)c1cccc(C2CC2)c1 C1CC1[*:1] O=C([O-])[C@@H]([NH2+]CC1CC1)c1cccc(c1)[*:1]
O=C([O-])[C@@H]([NH2+]CC1CC1)c1cccc(C2CC2)c1 O=C([O-])[*:1] c1cc(cc(c1)[C@H]([NH2+]CC1CC1)[*:1])C1CC1
C[C@@H]1C[C@H]1c1ccc([C@H](O)C2(C#N)CCC(C)(C)CC2)o1 C[C@@H]1C[C@@H]1[*:1] CC1(C)CCC(C#N)(CC1)[C@@H](O)c1ccc(o1)[*:1]
O=C(C[NH+]1CCc2ccccc2C1)NCc1ccccc1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(C[NH+]1CCc2ccccc2C1)NCc1ccccc1C[*:1]
O=C(C[NH+]1CCc2ccccc2C1)NCc1ccccc1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(C[NH+]1CCc2ccccc2C1)NCc1ccccc1[*:1]
Cc1ccc(C(=O)/C=C2\NCCc3cc4c(cc32)OCCCO4)cc1 Cc1ccc(cc1)[*:1] O=C(/C=C1\NCCc2cc3OCCCOc3cc21)[*:1]
Nc1cc([O-])nc2nnc(SCC(=O)Nc3nccs3)n12 c1csc(n1)[*:1] Nc1cc([O-])nc2nnc(SCC(=O)N[*:1])n12
CC(C)[NH2+]C[C@H](C)[C@H](C)N(C)Cc1cnn(C)c1 CC(C)[*:1] C[C@@H](C[NH2+][*:1])[C@H](C)N(C)Cc1cnn(C)c1
CC(C)[NH2+]C[C@H](C)[C@H](C)N(C)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] CC(C)[NH2+]C[C@H](C)[C@H](C)N(C)C[*:1]
COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(F)(F)F)cc1F FC(F)(F)[*:1] COc1ccc(cc1F)[C@H]1CC[NH2+]C[C@@H]1NC(=O)[*:1]
COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(F)(F)F)cc1F O=C(N[*:1])C(F)(F)F COc1ccc(cc1F)[C@H]1CC[NH2+]C[C@H]1[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] N#Cc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)c1 N#Cc1cccc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
O=C(c1cnoc1-c1ccccc1)N1CCOC[C@H](O)C1 c1ccc(cc1)[*:1] O=C(c1cnoc1[*:1])N1CCOC[C@H](O)C1
C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(c1)NC(=O)[*:1]
CCn1ncc(C(=O)Nc2cccc3ccc(C)nc23)c1C(F)(F)F FC(F)(F)[*:1] CCn1ncc(C(=O)Nc2cccc3ccc(C)nc23)c1[*:1]
CN1CCn2c(nnc2[C@@H]2CCCCN2C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCn2c(C1)nnc2[C@@H]1CCCCN1C(=O)[*:1]
N#CC1(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCCC1 N#CC1(CCCC1)[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)[*:1]
N#CC1(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCCC1 C1CC1[*:1] N#CC1(CCCC1)C(=O)Nc1ccc2nc(oc2c1)[*:1]
O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CN1CCCC1 C1CCN(C1)[*:1] O=C1S/C(=C/c2ccc3OCOc3c2)C(=O)N1C[*:1]
O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CN1CCCC1 C1CCN(C1)C[*:1] O=C1S/C(=C/c2ccc3OCOc3c2)C(=O)N1[*:1]
C[C@H]1OCC[C@H]1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1ccc2nc(C[*:1])oc2c1
C[C@H]1OCC[C@H]1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 c1ccc(cc1)C[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1ccc2nc(oc2c1)[*:1]
CCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 C1CCC(CC1)C[*:1] CCC(=O)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
CCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 C1CCC(CC1)[*:1] CCC(=O)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
CC(C)C(=O)Nc1ccc(O[C@H](C)c2nc(-c3cccs3)no2)cc1 CC(C)C(=O)N[*:1] C[C@@H](Oc1ccc(cc1)[*:1])c1nc(no1)-c1cccs1
CC(C)C(=O)Nc1ccc(O[C@H](C)c2nc(-c3cccs3)no2)cc1 CC(C)[*:1] C[C@@H](Oc1ccc(cc1)NC(=O)[*:1])c1nc(no1)-c1cccs1
CC(C)C(=O)Nc1ccc(O[C@H](C)c2nc(-c3cccs3)no2)cc1 c1csc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)O[C@H](C)c1nc(no1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 c1ccc(cc1)C[*:1] CC(C)N(C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12)[*:1]
CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 CC(C)[*:1] O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)N(Cc1ccccc1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 c1ccc2c(c[nH]c2c1)[*:1] CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(o1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12
CN(CC(=O)Nc1ccccc1)C(=O)CC1(O)CCCCC1 c1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)CC1(O)CCCCC1
CN(CC(=O)Nc1ccccc1)C(=O)CC1(O)CCCCC1 OC1(CCCCC1)[*:1] CN(CC(=O)Nc1ccccc1)C(=O)C[*:1]
C[C@@H]1[NH2+]CCC[C@H]1OCCCCCO OCC[*:1] C[C@@H]1[NH2+]CCC[C@H]1OCCC[*:1]
C[C@@H]1[NH2+]CCC[C@H]1OCCCCCO OCCC[*:1] C[C@@H]1[NH2+]CCC[C@H]1OCC[*:1]
CCCn1ncnc1C[C@H](C)[C@@H](C)[NH2+]C1CC1 C1CC1[*:1] CCCn1ncnc1C[C@H](C)[C@@H](C)[NH2+][*:1]
CCCn1ncnc1C[C@H](C)[C@@H](C)[NH2+]C1CC1 CCC[*:1] C[C@@H](Cc1ncnn1[*:1])[C@@H](C)[NH2+]C1CC1
Cc1ccc(N2CC[C@@H](C(=O)NCC[C@H](O)c3ccccc3)C2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N1CC[C@@H](C(=O)NCC[C@H](O)[*:1])C1=O
Cc1ccc(N2CC[C@@H](C(=O)NCC[C@H](O)c3ccccc3)C2=O)cc1C O[C@H](c1ccccc1)[*:1] Cc1ccc(cc1C)N1CC[C@@H](C(=O)NCC[*:1])C1=O
Cc1ccc(N2CC[C@@H](C(=O)NCC[C@H](O)c3ccccc3)C2=O)cc1C O[C@@H](C[*:1])c1ccccc1 Cc1ccc(cc1C)N1CC[C@@H](C(=O)NC[*:1])C1=O
Cc1ccc(N2CC[C@@H](C(=O)NCC[C@H](O)c3ccccc3)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NCC[C@H](O)c1ccccc1)[C@@H]1CCN(C1=O)[*:1]
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc2ccccc2c1 OCc1ccc(o1)[*:1] COc1ccc(cc1NC(=O)c1ccc2ccccc2c1)[*:1]
C[NH+](C)[C@@H](CNC(=O)N1CCCC1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCCC1)[*:1]
CC(C)OCc1c(C(=O)NC2CC[NH+](C)CC2)oc2ccccc12 CC(C)O[*:1] C[NH+]1CCC(CC1)NC(=O)c1oc2ccccc2c1C[*:1]
CC(C)OCc1c(C(=O)NC2CC[NH+](C)CC2)oc2ccccc12 CC(C)[*:1] C[NH+]1CCC(CC1)NC(=O)c1oc2ccccc2c1CO[*:1]
CC(C)OCc1c(C(=O)NC2CC[NH+](C)CC2)oc2ccccc12 CC(C)OC[*:1] C[NH+]1CCC(CC1)NC(=O)c1oc2ccccc2c1[*:1]
COc1ccccc1Nc1cc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1Nc1cc(OC)c(nc1[*:1])[N+](=O)[O-]
COc1ccccc1Nc1cc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1Nc1cc(OC)c(nc1[N+](=O)[O-])[*:1]
COc1ccc(Br)cc1C[NH+]1CCN(Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccc(Br)cc1C[NH+]1CCN(CC1)C[*:1]
COc1ccc(Br)cc1C[NH+]1CCN(Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] COc1ccc(Br)cc1C[NH+]1CCN(CC1)[*:1]
COC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)sc2c1CCC2 Fc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)[*:1])sc2CCCc21
COC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)sc2c1CCC2 COC(=O)[*:1] O=C(Nc1sc2CCCc2c1[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
CC(C)(C)c1cc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n[nH]1 Clc1ccc(cc1)CC[*:1] CC(C)(C)c1cc(CNC(=O)[C@H]2CCC(=O)N(C2)[*:1])n[nH]1
CC(C)(C)c1cc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n[nH]1 Clc1ccc(cc1)[*:1] CC(C)(C)c1cc(CNC(=O)[C@H]2CCC(=O)N(CC[*:1])C2)n[nH]1
CC(C)(C)c1cc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n[nH]1 Clc1ccc(cc1)C[*:1] CC(C)(C)c1cc(CNC(=O)[C@H]2CCC(=O)N(C2)C[*:1])n[nH]1
CC(C)(C)c1cc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n[nH]1 CC(C)(C)[*:1] O=C(NCc1cc([nH]n1)[*:1])[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1
CC(C)(C)c1cc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n[nH]1 CC(C)(C)c1cc(n[nH]1)[*:1] O=C(NC[*:1])[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1
COc1ccc(NC2=NS(=O)(=O)C(c3ccc(C(C)C)cc3)=C2C)cc1 COc1ccc(cc1)[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(cc1)C(C)C)N[*:1]
COc1ccc(NC2=NS(=O)(=O)C(c3ccc(C(C)C)cc3)=C2C)cc1 CC(C)[*:1] COc1ccc(cc1)NC1=NS(=O)(=O)C(=C1C)c1ccc(cc1)[*:1]
OC[C@@H]1CCCN(c2cncc(OCc3cccc(Cl)c3)n2)C1 Clc1cccc(c1)[*:1] OC[C@@H]1CCCN(C1)c1cncc(n1)OC[*:1]
Cc1ccccc1NN/C=C1/C(=O)NC(=O)c2ccccc21 Cc1ccccc1[*:1] O=C1NC(=O)c2ccccc2/C1=C\NN[*:1]
N#Cc1cccc(C(=O)NC[C@@H](O)c2ccccc2Cl)c1 Clc1ccccc1[*:1] N#Cc1cccc(c1)C(=O)NC[C@@H](O)[*:1]
O=C(N[C@H]1CCCNC1=O)c1ncn[nH]1 c1n[nH]c(n1)[*:1] O=C1NCCC[C@@H]1NC(=O)[*:1]
O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C(Oc1ccccc1)N1CCC(CC1)CNC(=O)[*:1]
O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1ccc(F)cc1Cl c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)O[*:1])c1ccc(F)cc1Cl
CCc1nnc2n1CCN(C(=O)c1ccccc1-c1ccccc1)C2 c1ccc(cc1)[*:1] CCc1nnc2CN(CCn12)C(=O)c1ccccc1[*:1]
O=C(COc1ccc(Cl)cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 Clc1ccc(cc1)OC[*:1] O=C(N1CCO[C@@H](C1)c1ccc(cc1)C(F)(F)F)[*:1]
O=C(COc1ccc(Cl)cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 FC(F)(F)[*:1] O=C(COc1ccc(Cl)cc1)N1CCO[C@@H](C1)c1ccc(cc1)[*:1]
O=C(COc1ccc(Cl)cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCO[C@@H](C1)c1ccc(cc1)C(F)(F)F
O=C(COc1ccc(Cl)cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCO[C@@H](C1)c1ccc(cc1)C(F)(F)F
NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCCNC(=O)Cc1cccc(F)c1 NC(=O)[*:1] O=C(Cc1cccc(F)c1)NCCNC(=O)N[C@H]1CCC[C@@H]1[*:1]
NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCCNC(=O)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCCNC(=O)[*:1]
NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCCNC(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCCNC(=O)C[*:1]
O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1c1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@@H](N1c1ccc2OCOc2c1)[*:1]
O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1[*:1]
O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])C[NH2+][C@H]1CCOC2(CCCC2)C1
CCC(CC)C(=O)[C@](C)(CC)N1CCOCC1 CCC(CC)[*:1] CC[C@@](C)(C(=O)[*:1])N1CCOCC1
C[C@@H]1[NH2+]CC[C@@H]1c1nc2ccccc2n1C(C)(C)C CC(C)(C)[*:1] C[C@@H]1[NH2+]CC[C@@H]1c1nc2ccccc2n1[*:1]
CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O CC(C)C[*:1] CC(C)CN(C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O)[*:1]
CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O CC(C)[*:1] CC(C)CN(C[*:1])C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O
COC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2CO)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)NCc2ccccc2CO)c(C)c1[*:1]
CCC(=O)N1CCC[C@H](C(=O)NC2CC2)C1 C1CC1[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CC(C)c1ccc(CNc2ccc(C(=O)N[C@@H](C)CO)cc2)cc1 CC(C)[*:1] C[C@@H](CO)NC(=O)c1ccc(cc1)NCc1ccc(cc1)[*:1]
CC(C)c1ccc(CNc2ccc(C(=O)N[C@@H](C)CO)cc2)cc1 C[C@@H](CO)NC(=O)[*:1] CC(C)c1ccc(cc1)CNc1ccc(cc1)[*:1]
COc1ccc(-n2nc(C(=O)[O-])c(=O)cc2C)cc1 O=C([O-])[*:1] COc1ccc(cc1)-n1nc(c(=O)cc1C)[*:1]
Cc1cc(C)cc(C[S@](=O)CCCC(=O)Nc2c(C)cc(C)cc2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc(C)c(NC(=O)CCC[S@@](=O)C[*:1])c(C)c1
CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1 CC(=O)[*:1] CC1Nc2nc3ccccc3n2[C@@H](C=1[*:1])c1cccc(C)c1
CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1 Cc1cccc(c1)[*:1] CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1[*:1]
O=c1cc([O-])nc(SCc2cccc([N+](=O)[O-])c2)[nH]1 O=[N+]([O-])[*:1] O=c1cc([O-])nc([nH]1)SCc1cccc(c1)[*:1]
CC(C)(C)[C@H](N1CCOCC1)n1nnc2ccccc21 C1CN(CCO1)[*:1] CC(C)(C)[C@H](n1nnc2ccccc21)[*:1]
CC(C)(C)[C@H](N1CCOCC1)n1nnc2ccccc21 CC(C)(C)[*:1] c1ccc2c(c1)nnn2[C@@H](N1CCOCC1)[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCC(F)(F)F FC(F)(F)CS[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)C[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCC(F)(F)F CC(C)(C)[*:1] O=C(CSCC(F)(F)F)Nc1ccccc1C(=O)N[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCC(F)(F)F FC(F)(F)[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)CSC[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCC(F)(F)F CC(C)(C)NC(=O)[*:1] O=C(CSCC(F)(F)F)Nc1ccccc1[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCC(F)(F)F FC(F)(F)CSC[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCC(F)(F)F FC(F)(F)C[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)CS[*:1]
CCCN/C([O-])=C(\C#N)C(=O)c1occc1C CCC[*:1] Cc1ccoc1C(=O)/C(C#N)=C(\[O-])N[*:1]
CCCN/C([O-])=C(\C#N)C(=O)c1occc1C CCCN[*:1] Cc1ccoc1C(=O)/C(C#N)=C(\[O-])[*:1]
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccn3)nn2)n1 c1ccc(nc1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)C(=O)N[*:1]
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccn3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1ccccn1)c1ccc(nn1)[*:1]
COc1cccc2sc(N3CC(OC(=O)c4cc5ccccc5o4)C3)nc12 c1ccc2oc(cc2c1)[*:1] COc1cccc2sc(nc12)N1CC(C1)OC(=O)[*:1]
COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1[*:1])c1ccc2OCCOc2c1
CC(C)(C)NS(=O)(=O)c1cccc(/N=C/c2ccccc2O)c1 CC(C)(C)[*:1] O=S(=O)(N[*:1])c1cccc(c1)/N=C/c1ccccc1O
CC(C)(C)NS(=O)(=O)c1cccc(/N=C/c2ccccc2O)c1 Oc1ccccc1[*:1] CC(C)(C)NS(=O)(=O)c1cccc(c1)N=C[*:1]
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1COc2ccccc2O1 FC(F)(F)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)[C@@H]1COc2ccccc2O1
Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2NC(=O)c3ccccc3N2)cc1 Cc1ccc(cc1)[*:1] O=C1N[C@@H](Nc2ccccc21)c1cn(Cc2ccccc2)nc1[*:1]
Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2NC(=O)c3ccccc3N2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1nn(cc1[C@H]1NC(=O)c2ccccc2N1)[*:1]
Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2NC(=O)c3ccccc3N2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nn(cc1[C@H]1NC(=O)c2ccccc2N1)C[*:1]
C[C@H]1CN(CC(=O)N(C)Cc2ccccc2F)CC[C@@H]1[NH3+] Fc1ccccc1[*:1] C[C@H]1CN(CC[C@@H]1[NH3+])CC(=O)N(C)C[*:1]
CC(C)(C)SCC[C@@H]1CCC[C@@]1([NH3+])CO CC(C)(C)S[*:1] [NH3+][C@@]1(CO)CCC[C@H]1CC[*:1]
CC(C)(C)SCC[C@@H]1CCC[C@@]1([NH3+])CO CC(C)(C)[*:1] [NH3+][C@@]1(CO)CCC[C@H]1CCS[*:1]
CC/N=C1/S[C@H](CC(=O)NCCc2ccccc2F)C(=O)N1CC Fc1ccccc1C[*:1] CC/N=C1/S[C@H](CC(=O)NC[*:1])C(=O)N1CC
CC/N=C1/S[C@H](CC(=O)NCCc2ccccc2F)C(=O)N1CC Fc1ccccc1[*:1] CC/N=C1/S[C@H](CC(=O)NCC[*:1])C(=O)N1CC
Cc1ccc(OCC(=O)Oc2ccc(C(=O)[O-])cc2)cc1C O=C([O-])[*:1] Cc1ccc(cc1C)OCC(=O)Oc1ccc(cc1)[*:1]
Cc1cc2c(N3CCC([C@@H](O)C(F)(F)F)CC3)ncnc2s1 FC(F)(F)[*:1] Cc1cc2c(ncnc2s1)N1CCC(CC1)[C@@H](O)[*:1]
Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2COc3ccccc3C2)n1 Cc1cccc(n1)[*:1] CN(CC(=O)N[*:1])C(=O)[C@H]1COc2ccccc2C1
C[C@H]([NH3+])C(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] C[C@H]([NH3+])C(=O)N(C)[C@H](C)C[*:1]
CC[C@](C)([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1nccs1 CS(=O)(=O)[*:1] CC[C@](C)([NH2+]CC(=O)Nc1ccc(cc1)[*:1])c1nccs1
CC[C@](C)([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1nccs1 c1csc(n1)[*:1] CC[C@](C)([NH2+]CC(=O)Nc1ccc(cc1)S(C)(=O)=O)[*:1]
[NH3+][C@H](C1CCC1)[C@@H]1CCCc2cccnc21 C1CC(C1)[*:1] [NH3+][C@H]([C@@H]1CCCc2cccnc21)[*:1]
C[C@H](NC[C@](C)(O)c1ccc(F)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 Fc1ccc(cc1)[*:1] C[C@H](NC[C@](C)(O)[*:1])c1c[nH]c2ccc(cc12)[N+](=O)[O-]
C[C@H](NC[C@](C)(O)c1ccc(F)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] C[C@H](NC[C@](C)(O)c1ccc(F)cc1)c1c[nH]c2ccc(cc12)[*:1]
CSCCCNC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 CSC[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)C(=O)NCC[*:1])c1C
CSCCCNC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 CSCCC[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)C(=O)N[*:1])c1C
CSCCCNC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 Cc1cccc(c1C)[*:1] CSCCCNC(=O)N1CCN(CC1)CC(=O)N[*:1]
CSCCCNC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 CSCC[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)C(=O)NC[*:1])c1C
COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c2ccccc12 c1cnnc(c1)[*:1] COc1ccc(c2ccccc12)[C@@H](C)[NH2+][C@@H]1CCCN(C1)[*:1]
Cc1cccc2nc(C(=O)N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)cn12 NS(=O)(=O)[*:1] Cc1cccc2nc(cn12)C(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc2nc(C(=O)N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)cn12 NS(=O)(=O)c1ccc(cc1)[*:1] Cc1cccc2nc(cn12)C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cccc2nc(C(=O)N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)cn12 Cc1cccc2nc(cn12)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)cc1F c1c(nc2SCCn12)[*:1] COc1ccc(cc1F)S(=O)(=O)Nc1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)cc1F COc1ccc(cc1F)[*:1] O=S(=O)(Nc1ccc(cc1)-c1cn2CCSc2n1)[*:1]
Cn1nc2n(c1=O)CCN(C[C@H](C#N)CCC#N)C2 N#CCC[*:1] Cn1nc2CN(CCn2c1=O)C[C@H](C#N)[*:1]
Cn1nc2n(c1=O)CCN(C[C@H](C#N)CCC#N)C2 N#CC[*:1] Cn1nc2CN(CCn2c1=O)C[C@H](C#N)C[*:1]
CC(C)c1ccc(/C=C/C(=O)Nc2nc3c(s2)COCC3)cc1 CC(C)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1nc2CCOCc2s1
CN(C(=O)NCC(C1CC1)C1CC1)C1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN(C(=O)NCC(C1CC1)C1CC1)C1CCN(CC1)[*:1]
CN(C(=O)NCC(C1CC1)C1CC1)C1CCN(c2ccc(F)cc2)CC1 C1CC1C(C[*:1])C1CC1 CN(C(=O)N[*:1])C1CCN(CC1)c1ccc(F)cc1
CN(C(=O)NCC(C1CC1)C1CC1)C1CCN(c2ccc(F)cc2)CC1 C1CC1C(C1CC1)[*:1] CN(C(=O)NC[*:1])C1CCN(CC1)c1ccc(F)cc1
CN(C(=O)NCC(C1CC1)C1CC1)C1CCN(c2ccc(F)cc2)CC1 C1CC1[*:1] CN(C(=O)NCC(C1CC1)[*:1])C1CCN(CC1)c1ccc(F)cc1
CCC[C@@H]1C[C@@H]1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O O=[N+]([O-])[*:1] CCC[C@@H]1C[C@@H]1NC(=O)c1nn(-c2ccccc2[*:1])c(C)cc1=O
CCC[C@@H]1C[C@@H]1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O CCC[*:1] Cc1cc(=O)c(nn1-c1ccccc1[N+](=O)[O-])C(=O)N[C@H]1C[C@H]1[*:1]
COc1ccc(N2C[C@H](C(=O)O[C@H](C#N)C(C)C)CC2=O)cc1 CC(C)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)O[C@H](C#N)[*:1]
CC(C)c1nncn1CCNC(=O)C1(c2ccc(F)cc2F)CCCC1 CC(C)[*:1] O=C(NCCn1cnnc1[*:1])C1(CCCC1)c1ccc(F)cc1F
CC(C)c1nncn1CCNC(=O)C1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] CC(C)c1nncn1CCNC(=O)C1(CCCC1)[*:1]
CC(C)c1nncn1CCNC(=O)C1(c2ccc(F)cc2F)CCCC1 CC(C)c1nncn1[*:1] O=C(NCC[*:1])C1(CCCC1)c1ccc(F)cc1F
Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)OCc1ccccc1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)OC[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)O[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)OCc1ccccc1 Cc1n[nH]c(C)c1[*:1] O=C(CN1CCC[C@@H]1[*:1])OCc1ccccc1
Cc1cccc2c(=O)n(CCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cnc12 c1cc2OCCOc2cc1[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)N1CCC[C@@H]1[*:1]
CCCCN(C)C(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 CCCC[*:1] CN(C(=O)CC[C@H]1CCCN(C1)C(=O)Nc1ccc(F)cc1)[*:1]
CCCCN(C)C(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCCCN(C)C(=O)CC[C@H]1CCCN(C1)C(=O)N[*:1]
CCCCN(C)C(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 CCCCN(C)C(=O)[*:1] O=C(Nc1ccc(F)cc1)N1CCC[C@H](CC[*:1])C1
CCCCN(C)C(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 CCC[*:1] CN(C[*:1])C(=O)CC[C@H]1CCCN(C1)C(=O)Nc1ccc(F)cc1
C[C@@H](C(=O)Nc1nccs1)N1CCC(NS(C)(=O)=O)CC1 c1csc(n1)[*:1] C[C@@H](C(=O)N[*:1])N1CCC(CC1)NS(C)(=O)=O
C[C@@H](C(=O)Nc1nccs1)N1CCC(NS(C)(=O)=O)CC1 CS(=O)(=O)N[*:1] C[C@@H](C(=O)Nc1nccs1)N1CCC(CC1)[*:1]
COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CC(C)C)CC2 COC[*:1] CC(C)C[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2C[*:1]
COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CC(C)C)CC2 COCC[*:1] CC(C)C[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2[*:1]
COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CC(C)C)CC2 c1cncc(c1)C[*:1] COCCN1C(=O)N(C(=O)C12CC[NH+](CC2)CC(C)C)[*:1]
COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CC(C)C)CC2 CC(C)C[*:1] COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CC2)[*:1]
COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CC(C)C)CC2 c1cncc(c1)[*:1] COCCN1C(=O)N(C[*:1])C(=O)C12CC[NH+](CC2)CC(C)C
COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CC(C)C)CC2 CC(C)[*:1] COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CC2)C[*:1]
CC(C)(NC(=O)c1ccnc(F)c1)c1ccc(F)cc1Cl Fc1cc(ccn1)[*:1] CC(C)(NC(=O)[*:1])c1ccc(F)cc1Cl
CNC(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2C#N)cc1 CNC(=O)[*:1] N#Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(cc1)[*:1]
CCCn1cc[nH+]c1C[C@@](O)([C@@H]([NH3+])CC)C(F)(F)F CCC[*:1] CC[C@H]([NH3+])[C@](O)(Cc1[nH+]ccn1[*:1])C(F)(F)F
CCCn1cc[nH+]c1C[C@@](O)([C@@H]([NH3+])CC)C(F)(F)F FC(F)(F)[*:1] CCCn1cc[nH+]c1C[C@@](O)([C@@H]([NH3+])CC)[*:1]
Cc1ccccc1N1CCN(C(=O)CSCC(F)(F)F)CC1 FC(F)(F)[*:1] Cc1ccccc1N1CCN(CC1)C(=O)CSC[*:1]
Cc1ccccc1N1CCN(C(=O)CSCC(F)(F)F)CC1 FC(F)(F)CSC[*:1] Cc1ccccc1N1CCN(CC1)C(=O)[*:1]
Cc1ccccc1N1CCN(C(=O)CSCC(F)(F)F)CC1 FC(F)(F)C[*:1] Cc1ccccc1N1CCN(CC1)C(=O)CS[*:1]
Cc1ccccc1N1CCN(C(=O)CSCC(F)(F)F)CC1 Cc1ccccc1[*:1] O=C(CSCC(F)(F)F)N1CCN(CC1)[*:1]
Cc1ccccc1N1CCN(C(=O)CSCC(F)(F)F)CC1 FC(F)(F)CS[*:1] Cc1ccccc1N1CCN(CC1)C(=O)C[*:1]
CCOc1cccc(C(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c1 CCO[*:1] O=C(Nc1ccc(cc1)-n1cc(Br)cn1)c1cccc(c1)[*:1]
CCOc1cccc(C(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c1 Brc1cnn(c1)[*:1] CCOc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CO[C@@H](CNC(=O)C1CCN(C(=O)C(C)C)CC1)c1ccc(F)cc1 CC(C)[*:1] CO[C@@H](CNC(=O)C1CCN(CC1)C(=O)[*:1])c1ccc(F)cc1
CO[C@@H](CNC(=O)C1CCN(C(=O)C(C)C)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)C1CCN(CC1)C(=O)C(C)C)[*:1]
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@@](C#N)(C(N)=O)[C@@H]2C=Cc3ccccc3N12 NC(=O)[*:1] CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@@](C#N)([C@@H]2C=Cc3ccccc3N12)[*:1]
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@@](C#N)(C(N)=O)[C@@H]2C=Cc3ccccc3N12 CC(C)(C)[*:1] N#C[C@@]1(C(N)=O)[C@H](c2ccccc2)[C@@H](C(=O)[*:1])N2c3ccccc3C=C[C@H]21
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@@](C#N)(C(N)=O)[C@@H]2C=Cc3ccccc3N12 c1ccc(cc1)[*:1] CC(C)(C)C(=O)[C@@H]1[C@@H]([C@@](C#N)(C(N)=O)[C@@H]2C=Cc3ccccc3N12)[*:1]
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@@](C#N)(C(N)=O)[C@@H]2C=Cc3ccccc3N12 CC(C)(C)C(=O)[*:1] N#C[C@@]1(C(N)=O)[C@H](c2ccccc2)[C@H](N2c3ccccc3C=C[C@H]21)[*:1]
C[C@@]1(c2ccccc2)CCCN(C(=O)N[C@H](c2nccs2)C2CC2)C1 c1csc(n1)[*:1] C[C@]1(CCCN(C1)C(=O)N[C@H](C1CC1)[*:1])c1ccccc1
C[C@@]1(c2ccccc2)CCCN(C(=O)N[C@H](c2nccs2)C2CC2)C1 c1ccc(cc1)[*:1] C[C@]1(CCCN(C1)C(=O)N[C@H](c1nccs1)C1CC1)[*:1]
C[C@@]1(c2ccccc2)CCCN(C(=O)N[C@H](c2nccs2)C2CC2)C1 C1CC1[*:1] C[C@]1(CCCN(C1)C(=O)N[C@H](c1nccs1)[*:1])c1ccccc1
CC1(C)CCC[C@@H]1NC(=O)N1CCC(OC2CCOCC2)CC1 C1CC(CCO1)O[*:1] CC1(C)CCC[C@@H]1NC(=O)N1CCC(CC1)[*:1]
CC1(C)CCC[C@@H]1NC(=O)N1CCC(OC2CCOCC2)CC1 C1CC(CCO1)[*:1] CC1(C)CCC[C@@H]1NC(=O)N1CCC(CC1)O[*:1]
N#Cc1ccc(CN2CCO[C@@H](Cn3cccn3)C2)cc1 c1cnn(c1)[*:1] N#Cc1ccc(cc1)CN1CCO[C@H](C1)C[*:1]
N#Cc1ccc(CN2CCO[C@@H](Cn3cccn3)C2)cc1 c1cnn(c1)C[*:1] N#Cc1ccc(cc1)CN1CCO[C@@H](C1)[*:1]
CC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@H]1[*:1]
COCc1cccc(NC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 COCc1cccc(c1)[*:1] C[C@@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)N[*:1]
COCc1cccc(NC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 COC[*:1] C[C@@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)Nc1cccc(c1)[*:1]
COCc1cccc(NC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 c1ncn(n1)[*:1] COCc1cccc(c1)NC(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1Cl Cc1cccc(c1Cl)[*:1] O=C(N[C@H]1CCC[C@@H](C1)C(F)(F)F)C(=O)N[*:1]
Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1Cl FC(F)(F)[*:1] Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H](C2)[*:1])c1Cl
O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 O=[N+]([O-])[*:1] FC(F)(F)[C@@H]1CCC[C@@H](C1)[NH2+]Cc1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 FC(F)(F)[*:1] O=[N+]([O-])c1cccc(c1)C[NH2+][C@H]1CCC[C@@H](C1)[*:1]
CNS(=O)(=O)CC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 CNS(=O)(=O)[*:1] O=C(C[*:1])N1CCO[C@@H](C1)c1ccc(F)c(Cl)c1
CNS(=O)(=O)CC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 CNS(=O)(=O)C[*:1] O=C(N1CCO[C@@H](C1)c1ccc(F)c(Cl)c1)[*:1]
CCCC(=O)N1CCC[C@H]1C(=O)Oc1cccc(-n2cccn2)c1 CCC[*:1] O=C(Oc1cccc(c1)-n1cccn1)[C@@H]1CCCN1C(=O)[*:1]
CCCC(=O)N1CCC[C@H]1C(=O)Oc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] CCCC(=O)N1CCC[C@H]1C(=O)Oc1cccc(c1)[*:1]
Cc1ccc(C)c(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(C)c(c1)NC(=O)CN1C(=O)CSc2ccc(cc21)[*:1]
Cc1ccc(C)c(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1 Cc1ccc(C)c(c1)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)S(=O)(=O)N1CCOCC1)N[*:1]
C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3c2C1 O=[N+]([O-])[*:1] C[C@@H]1CCc2oc3ccc(cc3c2C1)NS(=O)(=O)c1cccc(c1)[*:1]
C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3c2C1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@@H]1CCc2oc3ccc(cc3c2C1)NS(=O)(=O)[*:1]
O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(F)c1 c1cc(ccn1)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])c1cccc(F)c1
O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccc2oc(nc2c1)-c1ccncc1)[*:1]
Cc1ccc2ncc(CN(C)[C@H](CCO)c3ccccc3)n2c1 OCC[*:1] Cc1ccc2ncc(CN(C)[C@H](c3ccccc3)[*:1])n2c1
Cc1ccc2ncc(CN(C)[C@H](CCO)c3ccccc3)n2c1 c1ccc(cc1)[*:1] Cc1ccc2ncc(CN(C)[C@H](CCO)[*:1])n2c1
Fc1cc(Cl)ccc1CC[C@H](Cl)C1CC1 Cl[C@H](C1CC1)[*:1] Fc1cc(Cl)ccc1CC[*:1]
Fc1cc(Cl)ccc1CC[C@H](Cl)C1CC1 C1CC1[*:1] Fc1cc(Cl)ccc1CC[C@H](Cl)[*:1]
COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(Br)cc1S(=O)(=O)NC[*:1]
C[NH2+]CCN(C)C(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] C[NH2+]CCN(C)C(=O)c1n[nH]c(n1)[*:1]
C1CSC[C@H](CC[NH2+]C[C@H]2CCOC2)N1 C1C[C@@H](CO1)[*:1] C1CSC[C@H](CC[NH2+]C[*:1])N1
O=C(CCCCO)N1CCO[C@H]2CCCC[C@@H]21 OCC[*:1] O=C(CC[*:1])N1CCO[C@H]2CCCC[C@@H]21
O=C(CCCCO)N1CCO[C@H]2CCCC[C@@H]21 OCCC[*:1] O=C(C[*:1])N1CCO[C@H]2CCCC[C@@H]21
O=C(CCCCO)N1CCO[C@H]2CCCC[C@@H]21 OCCCC[*:1] O=C(N1CCO[C@H]2CCCC[C@@H]21)[*:1]
O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)N1CCC2(C1)OCCO2 c1ccc(cc1)[*:1] O=C(N[C@@H](c1cccc(F)c1)[*:1])N1CCC2(C1)OCCO2
O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)N1CCC2(C1)OCCO2 Fc1cccc(c1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])N1CCC2(C1)OCCO2
CNC(=O)[C@@H](C)CN(C)C(=O)Cn1c(=O)cnc2ccccc21 CNC(=O)[*:1] C[C@@H](CN(C)C(=O)Cn1c(=O)cnc2ccccc21)[*:1]
CCOc1ccccc1N1C[C@@H](C(=O)NN)CC1=O CCO[*:1] NNC(=O)[C@H]1CC(=O)N(C1)c1ccccc1[*:1]
CCOc1ccccc1N1C[C@@H](C(=O)NN)CC1=O NNC(=O)[*:1] CCOc1ccccc1N1C[C@@H](CC1=O)[*:1]
O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCN(c2cc[nH+]cc2)CC1 c1cn(cn1)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCN(CC1)c1cc[nH+]cc1
CN(C)S(=O)(=O)c1ccc(CNC(=O)NC2CCCCCCC2)cc1 C1CCCC(CCC1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)CNC(=O)N[*:1]
CN(C)S(=O)(=O)c1ccc(CNC(=O)NC2CCCCCCC2)cc1 CN(C)S(=O)(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])NC1CCCCCCC1
NC(=O)c1ccc(/C=C/C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NC[C@@H]1C[C@H]1c1ccccc1
NC(=O)c1ccc(/C=C/C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(/C=C/C(=O)NC[C@@H]2C[C@@H]2[*:1])cc1
CC(C)(C)OC(=O)N1CC(C2CC[NH2+]CC2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC(C1)C1CC[NH2+]CC1
CSCc1ccc(C(=O)NNC(=O)CSc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CSCc1ccc(cc1)C(=O)NNC(=O)CS[*:1]
CSCc1ccc(C(=O)NNC(=O)CSc2ccc(C)cc2)cc1 CSC[*:1] Cc1ccc(cc1)SCC(=O)NNC(=O)c1ccc(cc1)[*:1]
CSCc1ccc(C(=O)NNC(=O)CSc2ccc(C)cc2)cc1 Cc1ccc(cc1)S[*:1] CSCc1ccc(cc1)C(=O)NNC(=O)C[*:1]
COc1cccc(N2CC[C@H](CNC(=O)NC(C)C)C2)c1 CC(C)NC(=O)N[*:1] COc1cccc(c1)N1CC[C@@H](C1)C[*:1]
COc1cccc(N2CC[C@H](CNC(=O)NC(C)C)C2)c1 CC(C)[*:1] COc1cccc(c1)N1CC[C@H](CNC(=O)N[*:1])C1
Cc1noc2ncnc(N3CCC[C@H](C(=O)NCc4ccc(F)cc4)C3)c12 Fc1ccc(cc1)C[*:1] Cc1noc2ncnc(c12)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1noc2ncnc(N3CCC[C@H](C(=O)NCc4ccc(F)cc4)C3)c12 Fc1ccc(cc1)[*:1] Cc1noc2ncnc(c12)N1CCC[C@@H](C1)C(=O)NC[*:1]
Cc1ccc(NCc2nnc3n(C)c(=O)c4ccccc4n23)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NCc1nnc2n(C)c(=O)c3ccccc3n12
O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccn2)c1 c1ccc(nc1)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N(Cc1ccccc1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccn2)c1 O=[N+]([O-])[*:1] O=S(=O)(c1cccc(c1)[*:1])N(Cc1ccccc1)c1ccccn1
O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccn2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N(C[*:1])c1ccccn1
O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccn2)c1 c1ccc(cc1)C[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N(c1ccccn1)[*:1]
COc1cc(CNCCc2cnn(C)c2)cc2c1OCO2 Cn1cc(cn1)C[*:1] COc1cc(cc2OCOc12)CNC[*:1]
COc1cc(CNCCc2cnn(C)c2)cc2c1OCO2 Cn1cc(cn1)[*:1] COc1cc(cc2OCOc12)CNCC[*:1]
CC(C)CC(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1 c1ccc(cc1)C[*:1] CC(C)CC(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(O)cc1
CC(C)CC(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1 c1ccc(cc1)[*:1] CC(C)CC(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccc(O)cc1
CC(C)CC(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1 CC(C)CC(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(O)cc2)N1CCc1ccccc1)[*:1]
CC(C)CC(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1 CC(C)[*:1] O=C(C[*:1])C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1
CC(C)CC(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CC(C)CC(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1[*:1]
CC(C)CC(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1 c1ccc(cc1)CC[*:1] CC(C)CC(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(O)cc1)[*:1]
CC(C)CC(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1 CC(C)C[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(O)cc2)N1CCc1ccccc1
CC[C@H](C)Cc1c(C)sc2nc(C[NH+]3CCCC3)[nH]c(=O)c12 CC[C@H](C)C[*:1] Cc1sc2nc(C[NH+]3CCCC3)[nH]c(=O)c2c1[*:1]
CC[C@H](C)Cc1c(C)sc2nc(C[NH+]3CCCC3)[nH]c(=O)c12 CC[C@H](C)[*:1] Cc1sc2nc(C[NH+]3CCCC3)[nH]c(=O)c2c1C[*:1]
Cc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C[*:1]
Cc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=S(=O)(N1CCC(CC1)Cc1ccccc1)[*:1]
O=C(Cn1ccccc1=O)NCc1nc2ccc(F)cc2[nH]1 O=c1ccccn1[*:1] O=C(C[*:1])NCc1nc2ccc(F)cc2[nH]1
CC(C)Oc1ccc(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 CC(C)[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 CC(C)O[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(cc1)[*:1]
N#Cc1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)OCC(=O)N1CCc2sccc2[C@@H]1[*:1]
N#Cc1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCc2sccc2[C@H]1c1ccccc1
N#Cc1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 N#Cc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCc2sccc2[C@H]1c1ccccc1
CCC[C@H]1CN(Cc2nc(C)c(C)s2)[C@@](C)(CC)C[NH2+]1 CCC[*:1] CC[C@@]1(C)C[NH2+][C@H](CN1Cc1nc(C)c(C)s1)[*:1]
CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(N3CCOC3=O)c2)C1(C)C CCCC[*:1] CN(C(=O)c1cccc(c1)N1CCOC1=O)[C@@H]1C[C@@H](O[*:1])C1(C)C
CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(N3CCOC3=O)c2)C1(C)C CCC[*:1] CN(C(=O)c1cccc(c1)N1CCOC1=O)[C@@H]1C[C@@H](OC[*:1])C1(C)C
CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(N3CCOC3=O)c2)C1(C)C O=C1OCCN1[*:1] CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(c2)[*:1])C1(C)C
CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(N3CCOC3=O)c2)C1(C)C CCCCO[*:1] CN(C(=O)c1cccc(c1)N1CCOC1=O)[C@@H]1C[C@H](C1(C)C)[*:1]
CCc1nn(C)cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C CC(C)[*:1] CCc1nn(C)cc1C(=O)N(Cc1ccc(cc1)[N+](=O)[O-])[*:1]
CCc1nn(C)cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C CCc1nn(C)cc1[*:1] CC(C)N(Cc1ccc(cc1)[N+](=O)[O-])C(=O)[*:1]
CCc1nn(C)cc1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C O=[N+]([O-])[*:1] CCc1nn(C)cc1C(=O)N(Cc1ccc(cc1)[*:1])C(C)C
CCOC(=O)C(C)(C)NS(=O)(=O)c1ccc(F)c(F)c1 CCOC(=O)[*:1] CC(C)(NS(=O)(=O)c1ccc(F)c(F)c1)[*:1]
O=C(NCc1ccccn1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 c1ccc(C[*:1])nc1 O=C(N[*:1])c1ccc(cc1)Cn1c(=O)[nH]c2ccccc2c1=O
O=C(NCc1ccccn1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 c1ccc(nc1)[*:1] O=C(NC[*:1])c1ccc(cc1)Cn1c(=O)[nH]c2ccccc2c1=O
O=C(NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1 FC(F)(F)[*:1] O=C(NNC(=O)c1ccc(o1)-c1cccc(c1)[*:1])c1ccccc1
O=C(NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1ccc(o1)-c1cccc(c1)C(F)(F)F
CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@H](N2CCO[C@H](CC)C2)C1 O=C([O-])[*:1] CCC[NH2+][C@]1(CCC[C@@H](C1)N1CCO[C@H](CC)C1)[*:1]
CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@H](N2CCO[C@H](CC)C2)C1 CCC[*:1] CC[C@@H]1CN(CCO1)[C@H]1CCC[C@@](C1)([NH2+][*:1])C(=O)[O-]
CCOC(=O)CC[C@@H](C)Nc1cc(C)nc2ncnn12 CCOC(=O)C[*:1] Cc1cc(N[C@H](C)C[*:1])n2ncnc2n1
CCOC(=O)CC[C@@H](C)Nc1cc(C)nc2ncnn12 CCOC(=O)[*:1] Cc1cc(N[C@H](C)CC[*:1])n2ncnc2n1
Cn1c(-c2ccc(NC(=O)CCCn3ccnn3)cc2)nc2ccccc21 c1cn(nn1)[*:1] Cn1c(nc2ccccc21)-c1ccc(cc1)NC(=O)CCC[*:1]
Cn1c(-c2ccc(NC(=O)CCCn3ccnn3)cc2)nc2ccccc21 c1cn(CC[*:1])nn1 Cn1c(nc2ccccc21)-c1ccc(cc1)NC(=O)C[*:1]
Cn1c(-c2ccc(NC(=O)CCCn3ccnn3)cc2)nc2ccccc21 c1cn(CCC[*:1])nn1 Cn1c(nc2ccccc21)-c1ccc(cc1)NC(=O)[*:1]
Cn1c(-c2ccc(NC(=O)CCCn3ccnn3)cc2)nc2ccccc21 c1cn(C[*:1])nn1 Cn1c(nc2ccccc21)-c1ccc(cc1)NC(=O)CC[*:1]
O=C([C@@H](O)c1ccccc1)N1CCC(c2nccn2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H](O)c1ccccc1)N1CCC(CC1)c1nccn1C[*:1]
O=C([C@@H](O)c1ccccc1)N1CCC(c2nccn2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C([C@@H](O)c1ccccc1)N1CCC(CC1)c1nccn1[*:1]
O=C([C@@H](O)c1ccccc1)N1CCC(c2nccn2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H](O)[*:1])N1CCC(CC1)c1nccn1Cc1ccccc1
Cc1ccc(CSC2=NC(=O)[C@@H]3C(=N2)NC(=O)C[C@H]3c2ccc(F)c(Br)c2)cc1 Fc1ccc(cc1Br)[*:1] Cc1ccc(cc1)CSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2[*:1]
Cc1ccc(CSC2=NC(=O)[C@@H]3C(=N2)NC(=O)C[C@H]3c2ccc(F)c(Br)c2)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](c2ccc(F)c(Br)c2)[C@@H]2C(=O)N=C(N=C2N1)SC[*:1]
Cc1ccc(CSC2=NC(=O)[C@@H]3C(=N2)NC(=O)C[C@H]3c2ccc(F)c(Br)c2)cc1 Cc1ccc(cc1)C[*:1] O=C1C[C@@H](c2ccc(F)c(Br)c2)[C@@H]2C(=O)N=C(N=C2N1)S[*:1]
Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H]1C(=O)c1cnn(-c2ccccc2)c1N c1ccc(cc1)[*:1] Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H]1C(=O)c1cnn(c1N)[*:1]
Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H]1C(=O)c1cnn(-c2ccccc2)c1N Cc1cc(C)n(C)c(=O)c1[*:1] Nc1c(cnn1-c1ccccc1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
NC(=O)NC(=O)c1ccsc1NC(=O)c1cc2ccccc2oc1=O NC(=O)NC(=O)[*:1] O=C(Nc1sccc1[*:1])c1cc2ccccc2oc1=O
Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CCC#N)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1CCC#N
Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CCC#N)cc1 N#CCC[*:1] Cc1ccc(cc1)C(=O)N[C@H](C)c1nc2ccccc2n1[*:1]
Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CCC#N)cc1 N#CC[*:1] Cc1ccc(cc1)C(=O)N[C@H](C)c1nc2ccccc2n1C[*:1]
Cn1ccc2c(C(=O)OC[C@@H]3CCCCO3)cccc21 C1CC[C@H](OC1)[*:1] Cn1ccc2c(cccc21)C(=O)OC[*:1]
COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]C3(C(N)=O)CCCC3)C2=O)c1 NC(=O)[*:1] COc1ccc(F)c(c1)CN1CCC[C@](O)(C[NH2+]C2(CCCC2)[*:1])C1=O
COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]C3(C(N)=O)CCCC3)C2=O)c1 COc1ccc(F)c(c1)[*:1] NC(=O)C1(CCCC1)[NH2+]C[C@@]1(O)CCCN(C[*:1])C1=O
COCC(=O)N1CCC[C@H]1c1cc(=O)cc(C)[nH]1 COC[*:1] Cc1cc(=O)cc([nH]1)[C@@H]1CCCN1C(=O)[*:1]
Clc1ccc2c(c1)CN(Cc1nnsc1Cl)CC2 Clc1snnc1[*:1] Clc1ccc2CCN(Cc2c1)C[*:1]
CCO[C@H]1CCCN(Cc2nnc3n(C)c(=O)c4sccc4n23)C1 CCO[*:1] Cn1c(=O)c2sccc2n2c(CN3CCC[C@@H](C3)[*:1])nnc12
CCC1CC[NH+](CC(=O)C(C)C)CC1 CC(C)[*:1] CCC1CC[NH+](CC1)CC(=O)[*:1]
COC[C@@H]1CN(Cc2sc(N(C)C)nc2-c2ccccc2)CCO1 CN(C)[*:1] COC[C@@H]1CN(CCO1)Cc1sc(nc1-c1ccccc1)[*:1]
COC[C@@H]1CN(Cc2sc(N(C)C)nc2-c2ccccc2)CCO1 c1ccc(cc1)[*:1] COC[C@@H]1CN(CCO1)Cc1sc(nc1[*:1])N(C)C
COC[C@@H]1CN(Cc2sc(N(C)C)nc2-c2ccccc2)CCO1 COC[*:1] CN(C)c1nc(-c2ccccc2)c(CN2CCO[C@@H](C2)[*:1])s1
C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)c1ccc(cc1)CN1CCCC1=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C(C)(C)C)cc1 O=C1CCCN1[*:1] C[C@H](NC(=O)c1ccc(cc1)C[*:1])c1ccc(cc1)C(C)(C)C
C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C(C)(C)C)cc1 O=C1CCCN1C[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(cc1)C(C)(C)C
CCOC(=O)c1nn2c(-c3ccc(OC)cc3)nnc2s1 CCOC(=O)[*:1] COc1ccc(cc1)-c1nnc2sc(nn12)[*:1]
CCS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc2c(c1)OCO2 O=C(N1CCOCC1)[*:1] CCS(=O)(=O)N(C[*:1])c1ccc2OCOc2c1
C/C=C/C(=O)OCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 CC=C[*:1] O=C(COC(=O)[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCCCN1
C/C=C/C(=O)OCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 C/C=C/C(=O)OC[*:1] O=C(Nc1cccc(c1)S(=O)(=O)/N=C1/CCCCCN1)[*:1]
C/C=C/C(=O)OCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 C/C=C/C(=O)O[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCCCN1
O=C(OCc1nc2ccccc2s1)c1cnccn1 c1cnc(cn1)[*:1] O=C(OCc1nc2ccccc2s1)[*:1]
CN(C)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)nc1 CN(C)C(=O)[*:1] c1cc(ncc1[*:1])[C@@H]1CCC[NH2+]C1
Cc1nc2scc(CC(=O)N3CCCC3)n2c(=O)c1-c1cc(C)n(-c2ccc(F)cc2)n1 O=C(C[*:1])N1CCCC1 Cc1nc2scc(n2c(=O)c1-c1cc(C)n(n1)-c1ccc(F)cc1)[*:1]
Cc1nc2scc(CC(=O)N3CCCC3)n2c(=O)c1-c1cc(C)n(-c2ccc(F)cc2)n1 O=C(N1CCCC1)[*:1] Cc1nc2scc(C[*:1])n2c(=O)c1-c1cc(C)n(n1)-c1ccc(F)cc1
Cc1nc2scc(CC(=O)N3CCCC3)n2c(=O)c1-c1cc(C)n(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1nc2scc(CC(=O)N3CCCC3)n2c(=O)c1-c1cc(C)n(n1)[*:1]
C[C@@H](Cn1ccnc1)NC(=O)c1cccc(NC(=O)c2ccco2)c1 c1cn(cn1)[*:1] C[C@@H](C[*:1])NC(=O)c1cccc(c1)NC(=O)c1ccco1
C[C@@H](Cn1ccnc1)NC(=O)c1cccc(NC(=O)c2ccco2)c1 c1cn(cn1)C[*:1] C[C@@H](NC(=O)c1cccc(c1)NC(=O)c1ccco1)[*:1]
C[C@@H](Cn1ccnc1)NC(=O)c1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 C[C@@H](Cn1ccnc1)NC(=O)c1cccc(c1)[*:1]
C[C@@H](Cn1ccnc1)NC(=O)c1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] C[C@@H](Cn1ccnc1)NC(=O)c1cccc(c1)NC(=O)[*:1]
C[NH+](CCN1CCN(c2ccccc2)CC1)Cc1ccoc1 c1cc(co1)[*:1] C[NH+](CCN1CCN(CC1)c1ccccc1)C[*:1]
C[NH+](CCN1CCN(c2ccccc2)CC1)Cc1ccoc1 c1ccc(cc1)[*:1] C[NH+](CCN1CCN(CC1)[*:1])Cc1ccoc1
Cc1ccccc1[C@@H]([NH3+])[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] Cc1ccccc1[C@@H]([NH3+])[C@@H]1CN(CCO1)[*:1]
CSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccccc2)C(C)C)n1 CC(C)[*:1] CSc1ncc(Cl)c(n1)C(=O)NC[C@@H](c1ccccc1)[*:1]
CSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccccc2)C(C)C)n1 c1ccc(cc1)[*:1] CSc1ncc(Cl)c(n1)C(=O)NC[C@@H](C(C)C)[*:1]
Cn1nnc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)n1 Cn1nnc(n1)[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)N[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)c1 Cc1cccc(c1)[*:1] CC(C)CNC(=O)c1ccc(cc1)NC(=O)N1CCC[C@H]1[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)c1 CC(C)C[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)c1 CC(C)[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)c1 CC(C)CNC(=O)[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C CN(C)C(=O)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N[C@H](Cc1ccccc1)[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C c1ccc(cc1)C[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N[C@H](C(=O)N(C)C)[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C c1ccc(cc1)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N[C@H](C[*:1])C(=O)N(C)C
Cn1cc([C@@H]2CN(Cc3cccc(NC(=O)OC(C)(C)C)c3)CCO2)cn1 Cn1cc(cn1)[*:1] CC(C)(C)OC(=O)Nc1cccc(c1)CN1CCO[C@@H](C1)[*:1]
Cn1cc([C@@H]2CN(Cc3cccc(NC(=O)OC(C)(C)C)c3)CCO2)cn1 CC(C)(C)[*:1] Cn1cc(cn1)[C@@H]1CN(CCO1)Cc1cccc(c1)NC(=O)O[*:1]
Cn1cc([C@@H]2CN(Cc3cccc(NC(=O)OC(C)(C)C)c3)CCO2)cn1 CC(C)(C)OC(=O)N[*:1] Cn1cc(cn1)[C@@H]1CN(CCO1)Cc1cccc(c1)[*:1]
O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl O=C([O-])[*:1] O=S(=O)(Nc1ccc(c(Cl)c1)[*:1])c1ccc2CCCc2c1
CCOc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cc1 CCOc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)CC2=O)cc1 CCO[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
C[C@H](CCO)SC[C@@H]([NH3+])c1ccccc1 OCC[*:1] C[C@H](SC[C@@H]([NH3+])c1ccccc1)[*:1]
C[C@H](CCO)SC[C@@H]([NH3+])c1ccccc1 C[C@H](CCO)[*:1] [NH3+][C@H](CS[*:1])c1ccccc1
Cc1nc(N2C[C@@H](C)C[C@@H](C)C2)ncc1-c1cc(=O)n(Cc2ccccc2)[nH]1 c1ccc(cc1)C[*:1] Cc1nc(ncc1-c1cc(=O)n([nH]1)[*:1])N1C[C@@H](C)C[C@@H](C)C1
Cc1nc(N2C[C@@H](C)C[C@@H](C)C2)ncc1-c1cc(=O)n(Cc2ccccc2)[nH]1 c1ccc(cc1)[*:1] Cc1nc(ncc1-c1cc(=O)n(C[*:1])[nH]1)N1C[C@@H](C)C[C@@H](C)C1
C=CCSc1ncc(Cl)c(C(=O)Nc2ccccc2C(=O)OC)n1 C=CCS[*:1] COC(=O)c1ccccc1NC(=O)c1nc(ncc1Cl)[*:1]
C=CCSc1ncc(Cl)c(C(=O)Nc2ccccc2C(=O)OC)n1 COC(=O)[*:1] C=CCSc1ncc(Cl)c(n1)C(=O)Nc1ccccc1[*:1]
C=CCSc1ncc(Cl)c(C(=O)Nc2ccccc2C(=O)OC)n1 C=CC[*:1] COC(=O)c1ccccc1NC(=O)c1nc(ncc1Cl)S[*:1]
O=C(Nc1ccc(O)c(C(=O)[O-])c1)c1cncc(Br)c1 O=C([O-])[*:1] O=C(Nc1ccc(O)c(c1)[*:1])c1cncc(Br)c1
COc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNS(=O)(=O)C[*:1]
COc1ccc(F)cc1[C@@H](C(=O)[O-])[NH+]1CCN(Cc2noc(C)n2)CC1 Cc1nc(no1)[*:1] COc1ccc(F)cc1[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C[*:1]
COc1ccc(F)cc1[C@@H](C(=O)[O-])[NH+]1CCN(Cc2noc(C)n2)CC1 Cc1nc(C[*:1])no1 COc1ccc(F)cc1[C@@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
CCC(=O)Nc1ccc(NC(=O)COc2cccc(CC)c2)cc1 CCC(=O)N[*:1] CCc1cccc(c1)OCC(=O)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(NC(=O)COc2cccc(CC)c2)cc1 CCc1cccc(c1)[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)CO[*:1]
O=C(NCC[S@@](=O)Cc1ccccc1)[C@H]1CCCc2ccccc21 c1ccc(cc1)C[*:1] O=C(NCC[S@@](=O)[*:1])[C@H]1CCCc2ccccc21
O=C(NCC[S@@](=O)Cc1ccccc1)[C@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(NCC[S@@](=O)C[*:1])[C@H]1CCCc2ccccc21
O=C(Nc1cccc(-c2noc(-c3c(F)cccc3F)n2)c1)c1ccco1 Fc1cccc(F)c1[*:1] O=C(Nc1cccc(c1)-c1noc(n1)[*:1])c1ccco1
O=C(Nc1cccc(-c2noc(-c3c(F)cccc3F)n2)c1)c1ccco1 O=C(N[*:1])c1ccco1 Fc1cccc(F)c1-c1nc(no1)-c1cccc(c1)[*:1]
O=C(Nc1cccc(-c2noc(-c3c(F)cccc3F)n2)c1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)-c1noc(n1)-c1c(F)cccc1F)[*:1]
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)Cc1cccc(F)c1 O=C([O-])[*:1] COc1ccc(cc1S(=O)(=O)N(C)Cc1cccc(F)c1)[*:1]
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] COc1ccc(cc1S(=O)(=O)N(C)[*:1])C(=O)[O-]
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccc(cc1S(=O)(=O)N(C)C[*:1])C(=O)[O-]
CC(=O)O/N=C1\c2cccn2C[C@H]1CN(C(C)=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)O/N=C1\c2cccn2C[C@H]1CN(C(C)=O)[*:1]
Cc1cc(O)c(C(C)c2c(O)cc(C)n(CCO)c2=O)c(=O)n1CCO OCC[*:1] Cc1cc(O)c(c(=O)n1CCO)C(C)c1c(O)cc(C)n(c1=O)[*:1]
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1Cl)NNC(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc(Oc2ccc3c(C)cc(=O)oc3c2)c([N+](=O)[O-])c1 CCN(CC)S(=O)(=O)[*:1] Cc1cc(=O)oc2cc(ccc12)Oc1ccc(cc1[N+](=O)[O-])[*:1]
CCN(CC)S(=O)(=O)c1ccc(Oc2ccc3c(C)cc(=O)oc3c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCN(CC)S(=O)(=O)c1ccc(Oc2ccc3c(C)cc(=O)oc3c2)c(c1)[*:1]
Cc1c(NC(=O)C[C@H](O)c2ccccc2)cccc1OCC(F)(F)F FC(F)(F)[*:1] Cc1c(cccc1OC[*:1])NC(=O)C[C@H](O)c1ccccc1
Cc1c(NC(=O)C[C@H](O)c2ccccc2)cccc1OCC(F)(F)F FC(F)(F)C[*:1] Cc1c(cccc1O[*:1])NC(=O)C[C@H](O)c1ccccc1
Cc1c(NC(=O)C[C@H](O)c2ccccc2)cccc1OCC(F)(F)F FC(F)(F)CO[*:1] Cc1c(cccc1[*:1])NC(=O)C[C@H](O)c1ccccc1
Cc1c(NC(=O)C[C@H](O)c2ccccc2)cccc1OCC(F)(F)F c1ccc(cc1)[*:1] Cc1c(cccc1OCC(F)(F)F)NC(=O)C[C@H](O)[*:1]
Cc1c(NC(=O)C[C@H](O)c2ccccc2)cccc1OCC(F)(F)F O[C@H](c1ccccc1)[*:1] Cc1c(cccc1OCC(F)(F)F)NC(=O)C[*:1]
CC(C)(C)C(=O)NCc1ccc(C(=O)[O-])o1 CC(C)(C)[*:1] O=C([O-])c1ccc(CNC(=O)[*:1])o1
CC(C)(C)C(=O)NCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] CC(C)(C)C(=O)NCc1ccc(o1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H](C)CC1CCCC1)C1CC1 C[C@@H](CS(C)(=O)=O)[*:1] C[C@H](CC1CCCC1)C(=O)N(C1CC1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H](C)CC1CCCC1)C1CC1 C1CCC(C1)[*:1] C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H](C)C[*:1])C1CC1
C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H](C)CC1CCCC1)C1CC1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C(=O)[C@H](C)CC1CCCC1)C1CC1
C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H](C)CC1CCCC1)C1CC1 C1CC1[*:1] C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H](C)CC1CCCC1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H](C)CC1CCCC1)C1CC1 C1CCC(C1)C[*:1] C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H](C)[*:1])C1CC1
C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H](C)CC1CCCC1)C1CC1 CS(=O)(=O)C[*:1] C[C@@H](N(C(=O)[C@H](C)CC1CCCC1)C1CC1)[*:1]
C=C(C)CN(CC)C(=O)NCc1c(F)cccc1OC(F)F FC(F)O[*:1] C=C(C)CN(CC)C(=O)NCc1c(F)cccc1[*:1]
C=C(C)CN(CC)C(=O)NCc1c(F)cccc1OC(F)F FC(F)[*:1] C=C(C)CN(CC)C(=O)NCc1c(F)cccc1O[*:1]
C=C(C)CN(CC)C(=O)NCc1c(F)cccc1OC(F)F C=C(C)[*:1] CCN(C[*:1])C(=O)NCc1c(F)cccc1OC(F)F
C=C(C)CN(CC)C(=O)NCc1c(F)cccc1OC(F)F C=C(C)C[*:1] CCN(C(=O)NCc1c(F)cccc1OC(F)F)[*:1]
CCO[C@H](C)C(=O)OCc1cccc(Br)c1C CCO[*:1] Cc1c(Br)cccc1COC(=O)[C@@H](C)[*:1]
CCO[C@H](C)C(=O)OCc1cccc(Br)c1C CCO[C@H](C)[*:1] Cc1c(Br)cccc1COC(=O)[*:1]
O=C(Cc1csc(Cc2ccccc2)n1)NC1CCCCCCC1 c1ccc(cc1)C[*:1] O=C(Cc1csc(n1)[*:1])NC1CCCCCCC1
O=C(Cc1csc(Cc2ccccc2)n1)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] O=C(Cc1csc(Cc2ccccc2)n1)N[*:1]
O=C(Cc1csc(Cc2ccccc2)n1)NC1CCCCCCC1 c1ccc(cc1)[*:1] O=C(Cc1csc(C[*:1])n1)NC1CCCCCCC1
CC[C@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccco4)CC3)cc2NC1=O O=C(NCc1ccco1)[*:1] CC[C@H]1Oc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)[*:1]
CC[C@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccco4)CC3)cc2NC1=O c1coc(c1)[*:1] CC[C@H]1Oc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
CC[C@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccco4)CC3)cc2NC1=O c1coc(c1)C[*:1] CC[C@H]1Oc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1csc(N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 Cc1csc(n1)[*:1] c1ccc2[nH]c(C[C@H]3CCCN(C3)[*:1])nc2c1
CN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1cccc(Br)c1 C(=C[*:1])c1ccco1 CN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccc(Br)c1
CN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1cccc(Br)c1 c1coc(c1)[*:1] CN1C(=O)C([O-])=C(C(=O)C=C[*:1])[C@H]1c1cccc(Br)c1
CN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] CN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@@H]1[*:1]
Cn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl Clc1ccccc1[*:1] Cn1cnnc1-c1ccccc1[N-]S(=O)(=O)[*:1]
Cn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl Cn1cnnc1[*:1] O=S(=O)([N-]c1ccccc1[*:1])c1ccccc1Cl
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CC[NH+](CC1)C[*:1]
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 COC(=O)[*:1] O=C(CN1CC[NH+](CC1)Cc1ccccc1)Nc1c([nH]c2ccc(Br)cc12)[*:1]
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CC[NH+](CC1)[*:1]
O=C(Nc1ccccc1)N1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])N1CCC(CC1)[NH2+][C@@H]1CCOC2(CCOCC2)C1
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(O)c(Cl)c1 Oc1ccc(cc1Cl)[*:1] O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[*:1]
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(O)c(Cl)c1 c1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1ccc(O)c(Cl)c1
O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)c1ccncc1Cl Clc1cnccc1[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)[*:1]
O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)c1ccncc1Cl O=C([O-])[*:1] O=C(c1ccncc1Cl)N1Cc2[nH+]c[nH]c2C[C@@H]1[*:1]
Cc1cc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)n[nH]1 c1csc(c1)C[*:1] Cc1cc(n[nH]1)-c1ccc(s1)S(=O)(=O)N[*:1]
Cc1cc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)n[nH]1 c1csc(c1)[*:1] Cc1cc(n[nH]1)-c1ccc(s1)S(=O)(=O)NC[*:1]
Cc1cc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)n[nH]1 Cc1cc(n[nH]1)[*:1] O=S(=O)(NCc1cccs1)c1ccc(s1)[*:1]
CC(=O)NCc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1 CC(=O)NC[*:1] O=C(Nc1ccccc1-c1nc(n[nH]1)-c1ccccc1)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1 c1ccc(cc1)[*:1] CC(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1-c1nc(n[nH]1)[*:1]
CC(=O)NCc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1 CC(=O)N[*:1] O=C(Nc1ccccc1-c1nc(n[nH]1)-c1ccccc1)c1ccc(cc1)C[*:1]
C[C@@H](C#N)N(C)Cc1cc(F)cc(Br)c1 C[C@@H](C#N)[*:1] CN(Cc1cc(F)cc(Br)c1)[*:1]
CC(C)Oc1cccc(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)c1 CC(C)O[*:1] O=C(NCc1cccc(c1)[*:1])NC[C@H]1CCS(=O)(=O)C1
CC(C)Oc1cccc(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)c1 CC(C)[*:1] O=C(NCc1cccc(c1)O[*:1])NC[C@H]1CCS(=O)(=O)C1
CC(=O)Nc1ccc(S(=O)(=O)N2CCOc3ccc(C(=O)NCc4ccccc4F)cc3C2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(NCc1ccccc1F)c1ccc2OCCN(Cc2c1)S(=O)(=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCOc3ccc(C(=O)NCc4ccccc4F)cc3C2)cc1 Fc1ccccc1C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOc2ccc(cc2C1)C(=O)N[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCOc3ccc(C(=O)NCc4ccccc4F)cc3C2)cc1 Fc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOc2ccc(cc2C1)C(=O)NC[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCOc3ccc(C(=O)NCc4ccccc4F)cc3C2)cc1 O=C(NCc1ccccc1F)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOc2ccc(cc2C1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCOc3ccc(C(=O)NCc4ccccc4F)cc3C2)cc1 CC(=O)N[*:1] O=C(NCc1ccccc1F)c1ccc2OCCN(Cc2c1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1 CC(C)c1ccc(cc1)C[*:1] O=C(c1cc(=O)c2cc(F)ccc2o1)N(C[C@@H]1CCCO1)[*:1]
CC(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(c1cc(=O)c2cc(F)ccc2o1)N(C[C@@H]1CCCO1)C[*:1]
CC(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1 CC(C)[*:1] O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccc(cc1)[*:1])C[C@@H]1CCCO1
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(C)c2)n2nnnc2N1 Cc1cccc(c1)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)OC1CCCCC1)[*:1]
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(C)c2)n2nnnc2N1 C1CCC(CC1)[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)O[*:1])c1cccc(C)c1
CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(C)C)cc1 CCO[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)Nc1ccccc1[*:1])c1ccc(cc1)C(C)C
CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(C)C)cc1 CC(C)c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1[*:1]
CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(C)C)cc1 CCOc1ccccc1[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)N[*:1])c1ccc(cc1)C(C)C
C[C@@H](C(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1)C(F)(F)F C[C@@H](C(F)(F)F)[*:1] CS(=O)(=O)[N-]c1ccc(cc1Cl)NC(=O)[*:1]
C[C@@H](C(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1)C(F)(F)F FC(F)(F)[*:1] C[C@@H](C(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1)[*:1]
COc1ccccc1CCNC(=O)c1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] COc1ccccc1CCNC(=O)c1cnc(s1)[*:1]
COc1ccccc1CCNC(=O)c1cnc(-c2ccccc2)s1 COc1ccccc1[*:1] O=C(NCC[*:1])c1cnc(s1)-c1ccccc1
CCOC(=O)c1cnc2c(Cl)cccc2c1N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCOC(=O)c1cnc2c(Cl)cccc2c1N1CC[NH+](CC1)[*:1]
CCOC(=O)c1cnc2c(Cl)cccc2c1N1CC[NH+](Cc2ccccc2)CC1 CCOC(=O)[*:1] Clc1cccc2c(c(cnc12)[*:1])N1CC[NH+](CC1)Cc1ccccc1
CCOC(=O)c1cnc2c(Cl)cccc2c1N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)c1cnc2c(Cl)cccc2c1N1CC[NH+](CC1)C[*:1]
COc1ccc([C@@]2(C)C[NH+]=C(N)N2CC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)[C@@]1(C)C[NH+]=C(N)N1[*:1]
COc1ccc([C@@]2(C)C[NH+]=C(N)N2CC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@]1(C)C[NH+]=C(N)N1C[*:1]
O=C1O[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)Cc2ccccc21 c1ccc(cc1)C[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)N[C@@H]1CCN(C1=O)[*:1]
O=C1O[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)Cc2ccccc21 c1ccc(cc1)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)N[C@@H]1CCN(C[*:1])C1=O
COc1ccccc1/C=N/Nc1nc(Nc2ccc(Br)cc2)nc(-n2nc(C)cc2C)n1 Brc1ccc(cc1)[*:1] COc1ccccc1/C=N/Nc1nc(nc(n1)-n1nc(C)cc1C)N[*:1]
COc1ccccc1/C=N/Nc1nc(Nc2ccc(Br)cc2)nc(-n2nc(C)cc2C)n1 COc1ccccc1[*:1] Cc1cc(C)n(n1)-c1nc(nc(n1)Nc1ccc(Br)cc1)NN=C[*:1]
COc1ccccc1/C=N/Nc1nc(Nc2ccc(Br)cc2)nc(-n2nc(C)cc2C)n1 Cc1cc(C)n(n1)[*:1] COc1ccccc1/C=N/Nc1nc(nc(n1)[*:1])Nc1ccc(Br)cc1
COc1ccccc1/C=N/Nc1nc(Nc2ccc(Br)cc2)nc(-n2nc(C)cc2C)n1 Brc1ccc(cc1)N[*:1] COc1ccccc1/C=N/Nc1nc(nc(n1)[*:1])-n1nc(C)cc1C
COc1ccc(C)cc1/C=C/C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O CC(C)[*:1] COc1ccc(C)cc1/C=C/C(=O)N[C@H]1CC(=O)N(C1=O)[*:1]
O=C(CCCl)Nc1ccc(NC(=O)c2ccccc2)cc1 O=C(CCCl)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1
O=C(CCCl)Nc1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCCl)Nc1ccc(cc1)NC(=O)[*:1]
O=C(CCCl)Nc1ccc(NC(=O)c2ccccc2)cc1 ClCC[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccccc1
O=C(N[C@H](c1ccc(F)c(F)c1)c1ncon1)c1cc(F)ccc1O Oc1ccc(F)cc1[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)c1ncon1)[*:1]
O=C(N[C@H](c1ccc(F)c(F)c1)c1ncon1)c1cc(F)ccc1O Fc1ccc(cc1F)[*:1] O=C(N[C@H](c1ncon1)[*:1])c1cc(F)ccc1O
O=C(N[C@H](c1ccc(F)c(F)c1)c1ncon1)c1cc(F)ccc1O c1nc(no1)[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)[*:1])c1cc(F)ccc1O
C[C@H](NC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1)c1ccccc1 Brc1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)CO[*:1])c1ccccc1
C[C@H](NC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(COc1ccc(Br)cc1)Nc1cccc(c1)C(=O)N[*:1]
C[C@H](NC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)COc1ccc(Br)cc1)[*:1]
C[C@H](NC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1)c1ccccc1 Brc1ccc(cc1)OC[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)[*:1])c1ccccc1
C[C@H](NC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1)c1ccccc1 Brc1ccc(cc1)O[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)C[*:1])c1ccccc1
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)Cc2ccccc2Cl)C1 CS(=O)(=O)[*:1] O=C(Cc1ccccc1Cl)N[C@H]1CCC[C@@H](C1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)Cc2ccccc2Cl)C1 Clc1ccccc1[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)C[*:1]
CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C Cn1cc(cn1)C[*:1] CCN(S(=O)(=O)c1ccc(cc1C)[N+](=O)[O-])[*:1]
CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C Cn1cc(cn1)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(cc1C)[N+](=O)[O-]
CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(cc1C)[*:1]
Cc1cccc(-c2nnc(SCc3cc(-c4ccccc4)on3)n2CC(N)=O)c1 NC(=O)[*:1] Cc1cccc(c1)-c1nnc(SCc2cc(on2)-c2ccccc2)n1C[*:1]
Cc1cccc(-c2nnc(SCc3cc(-c4ccccc4)on3)n2CC(N)=O)c1 NC(=O)C[*:1] Cc1cccc(c1)-c1nnc(SCc2cc(on2)-c2ccccc2)n1[*:1]
Cc1cccc(-c2nnc(SCc3cc(-c4ccccc4)on3)n2CC(N)=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1nnc(SCc2cc(on2)[*:1])n1CC(N)=O
Cc1cccc(-c2nnc(SCc3cc(-c4ccccc4)on3)n2CC(N)=O)c1 Cc1cccc(c1)[*:1] NC(=O)Cn1c(nnc1[*:1])SCc1cc(on1)-c1ccccc1
Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 Brc1ccc(cc1)[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c2c(=O)o1)[*:1]
C[NH2+][C@@H](CCc1ccc(Cl)c(OC)c1)C1CC1 C1CC1[*:1] C[NH2+][C@@H](CCc1ccc(Cl)c(c1)OC)[*:1]
O=C(c1ccc(F)nc1)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)S[*:1] O=C(c1ccc(F)nc1)N1CC[C@H](C1)C[*:1]
O=C(c1ccc(F)nc1)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(F)nc1)N1CC[C@@H](CS[*:1])C1
O=C(c1ccc(F)nc1)N1CC[C@@H](CSc2ccccc2)C1 Fc1ccc(cn1)[*:1] O=C(N1CC[C@@H](CSc2ccccc2)C1)[*:1]
O=C(Nc1cccc(C(=O)N2CCCCC2)c1)N1CCN(c2cc[nH+]cc2)CC1 O=C(N1CCCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCN(CC1)c1cc[nH+]cc1
C[C@H](C(=O)Nc1ccccc1CS(C)(=O)=O)c1ccc2ccccc2c1 CS(=O)(=O)[*:1] C[C@H](C(=O)Nc1ccccc1C[*:1])c1ccc2ccccc2c1
C[C@H](C(=O)Nc1ccccc1CS(C)(=O)=O)c1ccc2ccccc2c1 CS(=O)(=O)C[*:1] C[C@H](C(=O)Nc1ccccc1[*:1])c1ccc2ccccc2c1
CCC[C@H](C[NH2+]C(C)C)C[C@@H]1CSc2ccccc21 CC(C)[*:1] CCC[C@H](C[NH2+][*:1])C[C@@H]1CSc2ccccc21
CCC[C@H](C[NH2+]C(C)C)C[C@@H]1CSc2ccccc21 CCC[*:1] CC(C)[NH2+]C[C@H](C[C@@H]1CSc2ccccc21)[*:1]
C[C@H](Cn1cccn1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 c1cnn(c1)C[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
C[C@H](Cn1cccn1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 c1cnn(c1)[*:1] C[C@H](C[*:1])NC(=O)[C@H]1CCCN(C1)S(C)(=O)=O
COc1ccc(C(=O)N[C@H](C(=O)NCc2cccnc2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NCc1cccnc1
COc1ccc(C(=O)N[C@H](C(=O)NCc2cccnc2)C(C)C)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)C(=O)N[C@H](C(=O)NC[*:1])C(C)C
COc1ccc(C(=O)N[C@H](C(=O)NCc2cccnc2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)N[C@H](C(=O)NCc1cccnc1)[*:1]
COc1ccc(C(=O)N[C@H](C(=O)NCc2cccnc2)C(C)C)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)C(=O)N[C@H](C(=O)N[*:1])C(C)C
CN(C)C(=O)c1cc(NCc2nnnn2-c2ccccc2)ccc1Cl CN(C)C(=O)[*:1] Clc1ccc(cc1[*:1])NCc1nnnn1-c1ccccc1
CN(C)C(=O)c1cc(NCc2nnnn2-c2ccccc2)ccc1Cl c1ccc(cc1)[*:1] CN(C)C(=O)c1cc(ccc1Cl)NCc1nnnn1[*:1]
O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@H](O)COCc1ccc(Cl)cc1 Clc1ccc(cc1)COC[*:1] O=c1c2sc(cc2ncn1C[C@H](O)[*:1])-c1ccc(F)cc1
O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@H](O)COCc1ccc(Cl)cc1 Clc1ccc(cc1)CO[*:1] O=c1c2sc(cc2ncn1C[C@H](O)C[*:1])-c1ccc(F)cc1
O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@H](O)COCc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=c1c2sc(cc2ncn1C[C@H](O)COCc1ccc(Cl)cc1)[*:1]
O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@H](O)COCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=c1c2sc(cc2ncn1C[C@H](O)COC[*:1])-c1ccc(F)cc1
O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@H](O)COCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=c1c2sc(cc2ncn1C[C@H](O)CO[*:1])-c1ccc(F)cc1
COC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C)c3ccccc32)C1 COC[*:1] C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C2)[*:1])c2ccccc21
CC(C)NC(=O)CN(C)C(=O)[C@@H](c1ccccc1)C(C)C c1ccc(cc1)[*:1] CC(C)NC(=O)CN(C)C(=O)[C@@H](C(C)C)[*:1]
CC(C)NC(=O)CN(C)C(=O)[C@@H](c1ccccc1)C(C)C CC(C)[*:1] CC(C)[C@@H](C(=O)N(C)CC(=O)N[*:1])c1ccccc1
CC(C)NC(=O)CN(C)C(=O)[C@@H](c1ccccc1)C(C)C CC(C)NC(=O)[*:1] CC(C)[C@@H](C(=O)N(C)C[*:1])c1ccccc1
CC(C)NC(=O)CN(C)C(=O)[C@@H](c1ccccc1)C(C)C CC(C)[*:1] CC(C)NC(=O)CN(C)C(=O)[C@@H](c1ccccc1)[*:1]
CC(C)NC(=O)CN(C)C(=O)[C@@H](c1ccccc1)C(C)C CC(C)NC(=O)C[*:1] CC(C)[C@@H](C(=O)N(C)[*:1])c1ccccc1
C=CCNC(=O)c1ncoc1-c1cccc(OC)c1 C=CC[*:1] COc1cccc(c1)-c1ocnc1C(=O)N[*:1]
C=CCNC(=O)c1ncoc1-c1cccc(OC)c1 C=CCNC(=O)[*:1] COc1cccc(c1)-c1ocnc1[*:1]
O=[N+]([O-])c1ccn(CCCCF)n1 FCCC[*:1] O=[N+]([O-])c1ccn(C[*:1])n1
O=[N+]([O-])c1ccn(CCCCF)n1 FCC[*:1] O=[N+]([O-])c1ccn(CC[*:1])n1
O=[N+]([O-])c1ccn(CCCCF)n1 O=[N+]([O-])[*:1] FCCCCn1ccc(n1)[*:1]
Cn1cc(C[NH+](C)Cc2ncc(-c3cccc(Br)c3)o2)cn1 Cn1cc(cn1)[*:1] C[NH+](Cc1ncc(o1)-c1cccc(Br)c1)C[*:1]
Cn1cc(C[NH+](C)Cc2ncc(-c3cccc(Br)c3)o2)cn1 Cn1cc(cn1)C[*:1] C[NH+](Cc1ncc(o1)-c1cccc(Br)c1)[*:1]
Cn1cc(C[NH+](C)Cc2ncc(-c3cccc(Br)c3)o2)cn1 Brc1cccc(c1)[*:1] Cn1cc(cn1)C[NH+](C)Cc1ncc(o1)[*:1]
C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(Cc3cccc4ccccc34)CC1)C2=O c1ccc2c(cccc2c1)[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(CC1)C[*:1])C2=O
Cc1cc(NC(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)no1 Cc1cc(no1)[*:1] Cc1ccc(cc1C)Nc1nnc(SCC(=O)N[*:1])s1
Cc1cc(NC(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)no1 Cc1ccc(cc1C)[*:1] Cc1cc(no1)NC(=O)CSc1nnc(N[*:1])s1
CC(C)[NH+](C)CC1CCN(C(=O)c2ccncc2Cl)CC1 CC(C)[*:1] C[NH+](CC1CCN(CC1)C(=O)c1ccncc1Cl)[*:1]
CC(C)[NH+](C)CC1CCN(C(=O)c2ccncc2Cl)CC1 Clc1cnccc1[*:1] CC(C)[NH+](C)CC1CCN(CC1)C(=O)[*:1]
Cn1cc(C#N)cc1-c1nc(-c2cccnc2Oc2ccccc2)no1 Cn1cc(C#N)cc1[*:1] c1ccc(cc1)Oc1ncccc1-c1noc(n1)[*:1]
Cn1cc(C#N)cc1-c1nc(-c2cccnc2Oc2ccccc2)no1 c1ccc(cc1)O[*:1] Cn1cc(C#N)cc1-c1nc(no1)-c1cccnc1[*:1]
Cn1cc(C#N)cc1-c1nc(-c2cccnc2Oc2ccccc2)no1 c1ccc(cc1)[*:1] Cn1cc(C#N)cc1-c1nc(no1)-c1cccnc1O[*:1]
COc1ccccc1/C=N/Nc1nc(SCC(N)=O)n[nH]1 NC(=O)[*:1] COc1ccccc1/C=N/Nc1nc(n[nH]1)SC[*:1]
COc1ccccc1/C=N/Nc1nc(SCC(N)=O)n[nH]1 NC(=O)C[*:1] COc1ccccc1/C=N/Nc1nc(n[nH]1)S[*:1]
COc1ccccc1/C=N/Nc1nc(SCC(N)=O)n[nH]1 NC(=O)CS[*:1] COc1ccccc1/C=N/Nc1nc(n[nH]1)[*:1]
CCCC(=O)Nc1cccc(C(=O)Nc2cc(C)ccn2)c1 CCCC(=O)N[*:1] Cc1ccnc(c1)NC(=O)c1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(C(=O)Nc2cc(C)ccn2)c1 CCC[*:1] Cc1ccnc(c1)NC(=O)c1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(C(=O)Nc2cc(C)ccn2)c1 Cc1ccnc(c1)[*:1] CCCC(=O)Nc1cccc(c1)C(=O)N[*:1]
CCCC1(CCC)CN(c2cncc(C(=O)[O-])c2)C1 CCC[*:1] CCCC1(CN(C1)c1cncc(c1)C(=O)[O-])[*:1]
CCCC1(CCC)CN(c2cncc(C(=O)[O-])c2)C1 O=C([O-])[*:1] CCCC1(CCC)CN(C1)c1cncc(c1)[*:1]
CCN(CC)C(=O)CCC(=O)Nc1cccc(NC(=O)NC)c1 CCN(CC)C(=O)[*:1] CNC(=O)Nc1cccc(c1)NC(=O)CC[*:1]
CCN(CC)C(=O)CCC(=O)Nc1cccc(NC(=O)NC)c1 CNC(=O)N[*:1] CCN(CC)C(=O)CCC(=O)Nc1cccc(c1)[*:1]
CN(N)c1ccc(Cc2ccc(Cl)cc2Cl)nn1 CN(N)[*:1] Clc1ccc(Cc2ccc(nn2)[*:1])c(Cl)c1
COCCNC(=O)NCc1nc(C)c(C)o1 COCC[*:1] Cc1nc(CNC(=O)N[*:1])oc1C
COCCNC(=O)NCc1nc(C)c(C)o1 COC[*:1] Cc1nc(CNC(=O)NC[*:1])oc1C
Cc1nnc(C)n1-n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O c1ccc(cc1)[*:1] Cc1nnc(C)n1-n1ccc2c(nnc3c(cnn32)[*:1])c1=O
CC(C)NC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 FC(F)(F)[*:1] CC(C)NC(=O)c1cc2nc(cc(n2n1)[*:1])-c1ccc(Br)cc1
CC(C)NC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 Brc1ccc(cc1)[*:1] CC(C)NC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
CC(C)NC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 CC(C)[*:1] O=C(N[*:1])c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccc(Br)cc1
CC(C)NC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 CC(C)NC(=O)[*:1] FC(F)(F)c1cc(nc2cc(nn12)[*:1])-c1ccc(Br)cc1
COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C CC(C)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)c1ccc(o1)-c1ccccc1[N+](=O)[O-]
COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C O=[N+]([O-])c1ccccc1[*:1] COc1cc(ccc1NC(=O)C(C)C)NC(=O)c1ccc(o1)[*:1]
COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)C(C)C)NC(=O)c1ccc(o1)-c1ccccc1[*:1]
COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C CC(C)C(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)c1ccc(o1)-c1ccccc1[N+](=O)[O-]
NC(=O)N1CCC(Nc2cccc(OCc3cccnc3)c2)CC1 c1cncc(c1)C[*:1] NC(=O)N1CCC(CC1)Nc1cccc(c1)O[*:1]
NC(=O)N1CCC(Nc2cccc(OCc3cccnc3)c2)CC1 c1cncc(c1)[*:1] NC(=O)N1CCC(CC1)Nc1cccc(c1)OC[*:1]
NC(=O)N1CCC(Nc2cccc(OCc3cccnc3)c2)CC1 c1cncc(c1)CO[*:1] NC(=O)N1CCC(CC1)Nc1cccc(c1)[*:1]
CCOC(=O)[C@@H](C)NC(=O)CCc1ccc(Cl)cc1Cl CCOC(=O)[*:1] C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)[*:1]
Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccco4)cc3)oc2C)c1 O=C(N[*:1])c1ccco1 Cc1cnn(c1)Cc1nc(oc1C)-c1ccc(cc1)[*:1]
Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccco4)cc3)oc2C)c1 c1coc(c1)[*:1] Cc1cnn(c1)Cc1nc(oc1C)-c1ccc(cc1)NC(=O)[*:1]
Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccco4)cc3)oc2C)c1 Cc1cnn(c1)C[*:1] Cc1oc(nc1[*:1])-c1ccc(cc1)NC(=O)c1ccco1
Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccco4)cc3)oc2C)c1 Cc1cnn(c1)[*:1] Cc1oc(nc1C[*:1])-c1ccc(cc1)NC(=O)c1ccco1
C[C@H]1C[C@H]([NH3+])CN(C(=O)Cn2cncn2)C1 c1ncn(n1)[*:1] C[C@H]1C[C@H]([NH3+])CN(C1)C(=O)C[*:1]
CC(C)(C#N)Nc1ccccc1C(=O)[O-] O=C([O-])[*:1] CC(C)(C#N)Nc1ccccc1[*:1]
CC(C)(C#N)Nc1ccccc1C(=O)[O-] CC(C)(C#N)[*:1] O=C([O-])c1ccccc1N[*:1]
CN(C)C(=O)C1CC[NH+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 Fc1ccc(cc1)[*:1] CN(C)C(=O)C1CC[NH+](CC1)CC(=O)N1CCN(CC1)[*:1]
CN(C)C(=O)C1CC[NH+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 CN(C)C(=O)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])N1CCN(CC1)c1ccc(F)cc1
Cc1cccn2c(CNc3ccc4[nH]nc(C(N)=O)c4c3)c[nH+]c12 NC(=O)[*:1] Cc1cccn2c(c[nH+]c12)CNc1ccc2[nH]nc(c2c1)[*:1]
Cc1cccc(C)c1OC[C@H](O)Cn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 Cc1cccc(C)c1O[*:1] O=C1C[C@@H](CN1c1ccccc1F)c1nc2ccccc2n1C[C@@H](O)C[*:1]
Cc1cccc(C)c1OC[C@H](O)Cn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 Cc1cccc(C)c1[*:1] O=C1C[C@@H](CN1c1ccccc1F)c1nc2ccccc2n1C[C@@H](O)CO[*:1]
Cc1cccc(C)c1OC[C@H](O)Cn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 Fc1ccccc1[*:1] Cc1cccc(C)c1OC[C@H](O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
Cc1cccc(C)c1OC[C@H](O)Cn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 Cc1cccc(C)c1OC[*:1] O=C1C[C@@H](CN1c1ccccc1F)c1nc2ccccc2n1C[C@@H](O)[*:1]
C[C@@H](C(=O)Nc1ccc(NC(=O)CCc2ccccc2Br)cc1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)CCc1ccccc1Br)[*:1]
C[C@@H](C(=O)Nc1ccc(NC(=O)CCc2ccccc2Br)cc1)n1cncn1 Brc1ccccc1C[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)C[*:1])n1cncn1
C[C@@H](C(=O)Nc1ccc(NC(=O)CCc2ccccc2Br)cc1)n1cncn1 Brc1ccccc1[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)CC[*:1])n1cncn1
C[C@@H](C(=O)Nc1ccc(NC(=O)CCc2ccccc2Br)cc1)n1cncn1 Brc1ccccc1CC[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)[*:1])n1cncn1
O=C(NCC[C@H](O)c1cccc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[C@H](O)c1cccc2ccccc12)[*:1]
O=C(Cc1cccc(F)c1)Nc1cccc(NC(=O)Nc2ccccc2)c1 Fc1cccc(c1)C[*:1] O=C(Nc1ccccc1)Nc1cccc(c1)NC(=O)[*:1]
O=C(Cc1cccc(F)c1)Nc1cccc(NC(=O)Nc2ccccc2)c1 Fc1cccc(c1)[*:1] O=C(C[*:1])Nc1cccc(c1)NC(=O)Nc1ccccc1
O=C(Cc1cccc(F)c1)Nc1cccc(NC(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Cc1cccc(F)c1)Nc1cccc(c1)NC(=O)N[*:1]
C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1ccccc1)c1ccccn1 O=C(N[*:1])c1ccccc1 C[C@H](C(=O)N[C@H](c1ccccc1)c1ccccn1)[*:1]
C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1ccccc1)[*:1]
C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N[C@H](c1ccccc1)c1ccccn1
C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](c1ccccn1)[*:1]
Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(N3CCN(CCO)CC3)nc2C1 OCC[*:1] Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(nc2C1)N1CCN(CC1)[*:1]
Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(N3CCN(CCO)CC3)nc2C1 OCCN1CCN(CC1)[*:1] Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(nc2C1)[*:1]
Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(N3CCN(CCO)CC3)nc2C1 Cc1ccccc1[*:1] Cc1nc(nc2C[C@H](CC(=O)c12)[*:1])N1CCN(CCO)CC1
CSc1nc2ncnc(N3CCN(c4ccc(F)cn4)CC3)c2s1 Fc1ccc(nc1)[*:1] CSc1nc2ncnc(c2s1)N1CCN(CC1)[*:1]
CCc1ncc(CN(C)C(=O)N[C@@H](C)c2oc3ccc(F)cc3c2C)s1 CCc1ncc(s1)[*:1] Cc1c(oc2ccc(F)cc12)[C@H](C)NC(=O)N(C)C[*:1]
CCc1ncc(CN(C)C(=O)N[C@@H](C)c2oc3ccc(F)cc3c2C)s1 CCc1ncc(C[*:1])s1 Cc1c(oc2ccc(F)cc12)[C@H](C)NC(=O)N(C)[*:1]
CCCCOc1ccc(-c2nnc(Cn3c(=O)oc4cccnc43)o2)cc1 CCCC[*:1] O=c1oc2cccnc2n1Cc1nnc(o1)-c1ccc(cc1)O[*:1]
CCCCOc1ccc(-c2nnc(Cn3c(=O)oc4cccnc43)o2)cc1 CCCCO[*:1] O=c1oc2cccnc2n1Cc1nnc(o1)-c1ccc(cc1)[*:1]
CCCCOc1ccc(-c2nnc(Cn3c(=O)oc4cccnc43)o2)cc1 CCC[*:1] O=c1oc2cccnc2n1Cc1nnc(o1)-c1ccc(cc1)OC[*:1]
CC[C@H](C(=O)Nc1cc(OC)ccc1Cl)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@H](C(=O)Nc1cc(ccc1Cl)OC)[*:1]
Cc1ccc([C@@H](C)N[C@H]2CC(=O)N(C3CC3)C2=O)cc1F C1CC1[*:1] Cc1ccc(cc1F)[C@@H](C)N[C@H]1CC(=O)N(C1=O)[*:1]
CCC[C@](C)(CO)NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 CCC[*:1] C[C@](CO)(NC(=O)N[C@H](c1ccc2OCCOc2c1)C1CC1)[*:1]
CCC[C@](C)(CO)NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] CCC[C@](C)(CO)NC(=O)N[C@H](c1ccc2OCCOc2c1)[*:1]
COc1ccccc1-c1cccc(-c2ccn(CCN3CCOCC3)n2)c1 COc1ccccc1[*:1] c1cc(cc(c1)[*:1])-c1ccn(CCN2CCOCC2)n1
COc1ccccc1-c1cccc(-c2ccn(CCN3CCOCC3)n2)c1 C1CN(CCO1)CC[*:1] COc1ccccc1-c1cccc(c1)-c1ccn(n1)[*:1]
COc1ccccc1-c1cccc(-c2ccn(CCN3CCOCC3)n2)c1 C1CN(CCO1)C[*:1] COc1ccccc1-c1cccc(c1)-c1ccn(C[*:1])n1
COc1ccccc1-c1cccc(-c2ccn(CCN3CCOCC3)n2)c1 C1CN(CCO1)[*:1] COc1ccccc1-c1cccc(c1)-c1ccn(CC[*:1])n1
Cc1cc(CN(C)C(=O)C2(c3cccc(Cl)c3)CCCC2)no1 Cc1cc(C[*:1])no1 CN(C(=O)C1(CCCC1)c1cccc(Cl)c1)[*:1]
Cc1cc(CN(C)C(=O)C2(c3cccc(Cl)c3)CCCC2)no1 Clc1cccc(c1)[*:1] Cc1cc(CN(C)C(=O)C2(CCCC2)[*:1])no1
Cc1cc(CN(C)C(=O)C2(c3cccc(Cl)c3)CCCC2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)C1(CCCC1)c1cccc(Cl)c1
Cc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)Nc1nc2ccc(cc2s1)C(=O)O[*:1]
Cc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 Cc1ccc(cc1)[*:1] CC(C)OC(=O)c1ccc2nc(NC(=O)[*:1])sc2c1
Cc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 CC(C)OC(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CC[C@H](C)NC(=O)COc1ccc(I)cc1 CC[C@H](C)[*:1] O=C(COc1ccc(I)cc1)N[*:1]
O=[N+]([O-])c1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)CSC1=NCCN1S(=O)(=O)[*:1]
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 CC(C)O[*:1] O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc(c1)[*:1]
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 C1CCN(CC1)[*:1] CC(C)Oc1cccc(c1)C(=O)NC(=S)Nc1ccccc1[*:1]
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 CC(C)[*:1] O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc(c1)O[*:1]
CCS[C@H]1CCC[C@@H](NC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1 CCS[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
Cc1ccc(CNC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)C(C)C)cc1 Cc1ccc(cc1)C[*:1] CC(C)[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)N[*:1]
Cc1ccc(CNC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)C(C)C)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CNC(=O)[C@H](Sc1nnc(n1C)[*:1])C(C)C
Cc1ccc(CNC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)NC[*:1]
Cc1ccc(CNC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)CNC(=O)[C@H](Sc1nnc(-c2ccco2)n1C)[*:1]
COc1ccc2c(c1)=C1CCN3C(=O)CN(Cc4ccco4)C(=O)[C@]3(C)[C@H]1[NH+]=2 c1coc(c1)C[*:1] COc1ccc2=[NH+][C@H]3C(CCN4C(=O)CN(C(=O)[C@]34C)[*:1])=c2c1
COc1ccc2c(c1)=C1CCN3C(=O)CN(Cc4ccco4)C(=O)[C@]3(C)[C@H]1[NH+]=2 c1coc(c1)[*:1] COc1ccc2=[NH+][C@H]3C(CCN4C(=O)CN(C[*:1])C(=O)[C@]34C)=c2c1
COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c(OC)c1OC C1CO[C@@H](C1)C[*:1] COc1ccc(c(OC)c1OC)[C@H]1Nc2ccccc2C(=O)N1[*:1]
COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c(OC)c1OC C1CO[C@@H](C1)[*:1] COc1ccc(c(OC)c1OC)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
C[C@]1(C(=O)[O-])COC[C@H]1Nc1ccc2nnnn2n1 O=C([O-])[*:1] C[C@@]1(COC[C@H]1Nc1ccc2nnnn2n1)[*:1]
Cc1ccc(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(F)cc1NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n([C@H]2CCN(C(=O)c3cccc4ccnn34)C2)n1 Cc1cc(C)n(n1)[*:1] O=C(c1cccc2ccnn12)N1CC[C@@H](C1)[*:1]
CC(C)[C@@H]1CCCCN1C(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] CC(C)[C@@H]1CCCCN1C(=O)c1ncccc1[*:1]
CC(C)[C@@H]1CCCCN1C(=O)c1ncccc1C(F)(F)F CC(C)[*:1] O=C(c1ncccc1C(F)(F)F)N1CCCC[C@H]1[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cn1 Cc1ccc(cn1)[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)N1CCCC1
Cc1ccc(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cn1 C1CCN(C1)[*:1] Cc1ccc(cn1)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
C[C@@H](C(=O)[O-])c1cc2ccccc2o1 O=C([O-])[*:1] C[C@@H](c1cc2ccccc2o1)[*:1]
OCCC[C@H]1NN[C@H](SCC2[NH+]=c3ccccc3=[NH+]2)N1c1ccccc1 c1ccc(cc1)[*:1] OCCC[C@H]1NN[C@H](SCC2[NH+]=c3ccccc3=[NH+]2)N1[*:1]
OCCC[C@H]1NN[C@H](SCC2[NH+]=c3ccccc3=[NH+]2)N1c1ccccc1 OCC[*:1] c1ccc(cc1)N1[C@@H](C[*:1])NN[C@@H]1SCC1[NH+]=c2ccccc2=[NH+]1
OCCC[C@H]1NN[C@H](SCC2[NH+]=c3ccccc3=[NH+]2)N1c1ccccc1 OCCC[*:1] c1ccc(cc1)N1[C@H](NN[C@@H]1[*:1])SCC1[NH+]=c2ccccc2=[NH+]1
O=C(NCCCn1cc[nH+]c1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(NCCCn1cc[nH+]c1)C1CN(C1)C(=O)[*:1]
O=C(NCCCn1cc[nH+]c1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 O=[N+]([O-])[*:1] O=C(NCCCn1cc[nH+]c1)C1CN(C1)C(=O)c1ccc(o1)[*:1]
Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])c3cccnc23)n[nH]1 O=[N+]([O-])[*:1] Cc1cc(C[C@H](C)Nc2ccc(c3cccnc23)[*:1])n[nH]1
Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])c3cccnc23)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@H](Nc1ccc(c2cccnc12)[N+](=O)[O-])[*:1]
Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])c3cccnc23)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@@H](C[*:1])Nc1ccc(c2cccnc12)[N+](=O)[O-]
CCCN1C(=O)[C@@H](CC(=O)NC2CC2)Sc2ncccc21 O=C(NC1CC1)[*:1] CCCN1C(=O)[C@@H](C[*:1])Sc2ncccc21
CCCN1C(=O)[C@@H](CC(=O)NC2CC2)Sc2ncccc21 CCC[*:1] O=C(C[C@H]1Sc2ncccc2N(C1=O)[*:1])NC1CC1
CCCN1C(=O)[C@@H](CC(=O)NC2CC2)Sc2ncccc21 C1CC1[*:1] CCCN1C(=O)[C@@H](CC(=O)N[*:1])Sc2ncccc21
CCCN1C(=O)[C@@H](CC(=O)NC2CC2)Sc2ncccc21 O=C(C[*:1])NC1CC1 CCCN1C(=O)[C@@H](Sc2ncccc21)[*:1]
Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC(N)=O NC(=O)NC(=O)[*:1] Cc1c(Cl)cccc1-n1ccnc1SC[*:1]
Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC(N)=O NC(=O)NC(=O)C[*:1] Cc1c(Cl)cccc1-n1ccnc1S[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](c2csc(Nc3cc(F)ccn3)n2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)c1csc(n1)Nc1cc(F)ccn1
CC(C)(C)OC(=O)N1CCC[C@H](c2csc(Nc3cc(F)ccn3)n2)C1 Fc1ccnc(c1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)c1csc(n1)N[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](c2csc(Nc3cc(F)ccn3)n2)C1 Fc1ccnc(c1)N[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)c1csc(n1)[*:1]
NNC(=O)CCC(=O)N/N=C/c1ccc(Br)o1 NNC(=O)[*:1] O=C(CC[*:1])N/N=C/c1ccc(Br)o1
NNC(=O)CCC(=O)N/N=C/c1ccc(Br)o1 NNC(=O)C[*:1] O=C(C[*:1])N/N=C/c1ccc(Br)o1
Cc1cccc(-n2ncc3c(O)nc(SCC(=O)NCc4ccc(F)cc4)nc32)c1 Fc1ccc(cc1)C[*:1] Cc1cccc(c1)-n1ncc2c(O)nc(nc21)SCC(=O)N[*:1]
Cc1cccc(-n2ncc3c(O)nc(SCC(=O)NCc4ccc(F)cc4)nc32)c1 Cc1cccc(c1)[*:1] O=C(CSc1nc(O)c2cnn(c2n1)[*:1])NCc1ccc(F)cc1
Cc1cccc(-n2ncc3c(O)nc(SCC(=O)NCc4ccc(F)cc4)nc32)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)-n1ncc2c(O)nc(nc21)SCC(=O)NC[*:1]
COc1cc(NC(=O)c2ccco2)c(C(=O)NCc2ccc(C)cc2)cc1OC Cc1ccc(cc1)[*:1] COc1cc(NC(=O)c2ccco2)c(cc1OC)C(=O)NC[*:1]
COc1cc(NC(=O)c2ccco2)c(C(=O)NCc2ccc(C)cc2)cc1OC O=C(N[*:1])c1ccco1 COc1cc(C(=O)NCc2ccc(C)cc2)c(cc1OC)[*:1]
COc1cc(NC(=O)c2ccco2)c(C(=O)NCc2ccc(C)cc2)cc1OC c1coc(c1)[*:1] COc1cc(NC(=O)[*:1])c(cc1OC)C(=O)NCc1ccc(C)cc1
COc1cc(NC(=O)c2ccco2)c(C(=O)NCc2ccc(C)cc2)cc1OC Cc1ccc(cc1)C[*:1] COc1cc(NC(=O)c2ccco2)c(cc1OC)C(=O)N[*:1]
CC(C)[C@@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccc(F)cc1 NC(=O)[*:1] CC(C)[C@@H](NCC(=O)N1C[C@@H](Oc2ccccc21)[*:1])c1ccc(F)cc1
CC(C)[C@@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NCC(=O)N1C[C@H](Oc2ccccc21)C(N)=O)[*:1]
CC(C)[C@@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccc(F)cc1 CC(C)[*:1] NC(=O)[C@@H]1CN(C(=O)CN[C@@H](c2ccc(F)cc2)[*:1])c2ccccc2O1
CN(C)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 CN(C)[*:1] CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 CC(C)(C)[*:1] CN(C)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)O[*:1]
N#C[C@@H](C(=O)c1ccnc(C2CC2)n1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@@H](C(=O)c1ccnc(n1)C1CC1)[*:1]
N#C[C@@H](C(=O)c1ccnc(C2CC2)n1)c1ccc(F)cn1 C1CC1[*:1] N#C[C@@H](C(=O)c1ccnc(n1)[*:1])c1ccc(F)cn1
CC(=O)[C@@H](C)Cn1cnc(C2CCC2)cc1=O CC(=O)[*:1] C[C@@H](Cn1cnc(cc1=O)C1CCC1)[*:1]
CC(=O)[C@@H](C)Cn1cnc(C2CCC2)cc1=O CC(=O)[C@@H](C)[*:1] O=c1cc(ncn1C[*:1])C1CCC1
CC(=O)[C@@H](C)Cn1cnc(C2CCC2)cc1=O C1CC(C1)[*:1] CC(=O)[C@@H](C)Cn1cnc(cc1=O)[*:1]
O=C(CS[C@@H]1N=C2N=NC=C2C(=O)N1c1ccc(F)c(Cl)c1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CS[C@@H]1N=C2N=NC=C2C(=O)N1c1ccc(F)c(Cl)c1)N[*:1]
O=C(CS[C@@H]1N=C2N=NC=C2C(=O)N1c1ccc(F)c(Cl)c1)NCc1ccccc1Cl Fc1ccc(cc1Cl)[*:1] O=C(CS[C@@H]1N=C2N=NC=C2C(=O)N1[*:1])NCc1ccccc1Cl
O=C(CS[C@@H]1N=C2N=NC=C2C(=O)N1c1ccc(F)c(Cl)c1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CS[C@@H]1N=C2N=NC=C2C(=O)N1c1ccc(F)c(Cl)c1)NC[*:1]
Cc1cc(O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])O[C@@H](C)c1nc2ccccc2c(=O)[nH]1
O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cc1csc2nc(cn12)-c1ccc(Cl)cc1)N[*:1]
O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1ccccc1F Clc1ccc(cc1)[*:1] O=C(Cc1csc2nc(cn12)[*:1])Nc1ccccc1F
CCOC[C@@H]1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)C1 c1cnn(c1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)NCCc1ccc(cc1)[*:1]
CCOC[C@@H]1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)C1 CCOC[*:1] O=C(NCCc1ccc(cc1)-n1cccn1)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)C1 CCO[*:1] O=C(NCCc1ccc(cc1)-n1cccn1)N1CC[C@H](C1)C[*:1]
COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cccnc1[*:1]
O=C(NCc1ccnc(OCc2ccccc2)c1)[C@H]1CCCO1 c1ccc(cc1)C[*:1] O=C(NCc1ccnc(c1)O[*:1])[C@H]1CCCO1
O=C(NCc1ccnc(OCc2ccccc2)c1)[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)OC[*:1])[C@H]1CCCO1
O=C(CSc1nnnn1-c1ccc(Cl)cc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] O=C(CSc1nnnn1-c1ccc(Cl)cc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(CSc1nnnn1-c1ccc(Cl)cc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CSc1nnnn1-c1ccc(Cl)cc1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(CSc1nnnn1-c1ccc(Cl)cc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1
COc1ccccc1OCC(=O)N[C@@H](C)Cc1ccccc1C Cc1ccccc1[*:1] COc1ccccc1OCC(=O)N[C@@H](C)C[*:1]
COc1ccccc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 COc1ccccc1[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[*:1]
COc1ccccc1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 COc1ccccc1C[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[*:1]
CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C[C@@H](O)c1ccc(Cl)cc1 CC(C)(C)[*:1] O=C(N[*:1])[C@@H]1CSCN1C(=O)C[C@@H](O)c1ccc(Cl)cc1
CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C[C@@H](O)[*:1]
CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C[C@@H](O)c1ccc(Cl)cc1 CC(C)(C)NC(=O)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CSC[C@H]1[*:1]
Cn1cc(C(=O)[O-])c(C(F)F)n1 O=C([O-])[*:1] Cn1cc(c(n1)C(F)F)[*:1]
Cn1cc(C(=O)[O-])c(C(F)F)n1 FC(F)[*:1] Cn1cc(C(=O)[O-])c(n1)[*:1]
CCOc1ccc(Br)cc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 CCO[*:1] O=C(Nc1cccc(c1)OC[C@H]1CCCO1)c1cc(Br)ccc1[*:1]
CCOc1ccc(Br)cc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)CO[*:1] CCOc1ccc(Br)cc1C(=O)Nc1cccc(c1)[*:1]
O=[N+]([O-])c1cnc(NCCc2c[nH+]c[nH]2)c(Br)c1 O=[N+]([O-])[*:1] Brc1cc(cnc1NCCc1c[nH+]c[nH]1)[*:1]
COc1ccccc1[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccccn1 CC(C)n1cc(cn1)[*:1] COc1ccccc1[C@H]([NH2+][C@H](C)[*:1])c1ccccn1
COc1ccccc1[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccccn1 COc1ccccc1[*:1] CC(C)n1cc(cn1)[C@@H](C)[NH2+][C@H](c1ccccn1)[*:1]
COc1ccccc1[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccccn1 CC(C)[*:1] COc1ccccc1[C@H]([NH2+][C@H](C)c1cnn(c1)[*:1])c1ccccn1
COc1ccccc1[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H]([NH2+][C@H](C)c1cnn(c1)C(C)C)[*:1]
CC1CCN(C(=O)C[NH2+]C2CC2)CC1 C1CC1[*:1] CC1CCN(CC1)C(=O)C[NH2+][*:1]
CS[C@@H](C)c1cccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 c1coc(c1)[*:1] CS[C@@H](C)c1cccc(c1)NC(=O)NC[C@H]([NH+](C)C)[*:1]
CS[C@@H](C)c1cccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 CS[C@@H](C)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1cccc(c1)[*:1])c1ccco1
O=C(c1ccc(OCC(F)F)nc1)N1CC[C@@H](Cc2ccccc2)C1 FC(F)CO[*:1] O=C(c1ccc(nc1)[*:1])N1CC[C@@H](Cc2ccccc2)C1
O=C(c1ccc(OCC(F)F)nc1)N1CC[C@@H](Cc2ccccc2)C1 FC(F)[*:1] O=C(c1ccc(nc1)OC[*:1])N1CC[C@@H](Cc2ccccc2)C1
O=C(c1ccc(OCC(F)F)nc1)N1CC[C@@H](Cc2ccccc2)C1 FC(F)C[*:1] O=C(c1ccc(nc1)O[*:1])N1CC[C@@H](Cc2ccccc2)C1
O=C(c1ccc(OCC(F)F)nc1)N1CC[C@@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(nc1)OCC(F)F)N1CC[C@H](C1)C[*:1]
O=C(c1ccc(OCC(F)F)nc1)N1CC[C@@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1ccc(nc1)OCC(F)F)N1CC[C@@H](C1)[*:1]
CC(C)S(=O)(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc23)CC1 CC(C)[*:1] O=S(=O)(N1CCN(CC1)c1cc[nH+]c2cc(Cl)ccc12)[*:1]
O=C([O-])c1ccc2c(=O)n(CCCN3CCOCC3)c(=O)[nH]c2c1 C1CN(CCO1)[*:1] O=C([O-])c1ccc2c(=O)n(CCC[*:1])c(=O)[nH]c2c1
O=C([O-])c1ccc2c(=O)n(CCCN3CCOCC3)c(=O)[nH]c2c1 C1CN(CCO1)C[*:1] O=C([O-])c1ccc2c(=O)n(CC[*:1])c(=O)[nH]c2c1
O=C([O-])c1ccc2c(=O)n(CCCN3CCOCC3)c(=O)[nH]c2c1 C1CN(CCO1)CC[*:1] O=C([O-])c1ccc2c(=O)n(C[*:1])c(=O)[nH]c2c1
O=C([O-])c1ccc2c(=O)n(CCCN3CCOCC3)c(=O)[nH]c2c1 O=C([O-])[*:1] O=c1[nH]c2cc(ccc2c(=O)n1CCCN1CCOCC1)[*:1]
C#CCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC CCO[*:1] C#CCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1[*:1]
C#CCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC C#CC[*:1] CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1O[*:1]
C#CCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC c1ccc2[nH]c(nc2c1)[*:1] C#CCOc1c(Cl)cc(C=C(C#N)[*:1])cc1OCC
C#CCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC C#CCO[*:1] CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1[*:1]
O=[N+]([O-])c1cc2c(c(CN(CC3CC3)CC(F)(F)F)c1)OCOC2 C1CC1C[*:1] O=[N+]([O-])c1cc2COCOc2c(c1)CN(CC(F)(F)F)[*:1]
O=[N+]([O-])c1cc2c(c(CN(CC3CC3)CC(F)(F)F)c1)OCOC2 FC(F)(F)C[*:1] O=[N+]([O-])c1cc2COCOc2c(c1)CN(CC1CC1)[*:1]
O=[N+]([O-])c1cc2c(c(CN(CC3CC3)CC(F)(F)F)c1)OCOC2 O=[N+]([O-])[*:1] FC(F)(F)CN(Cc1cc(cc2COCOc21)[*:1])CC1CC1
O=[N+]([O-])c1cc2c(c(CN(CC3CC3)CC(F)(F)F)c1)OCOC2 C1CC1[*:1] O=[N+]([O-])c1cc2COCOc2c(c1)CN(CC(F)(F)F)C[*:1]
O=[N+]([O-])c1cc2c(c(CN(CC3CC3)CC(F)(F)F)c1)OCOC2 FC(F)(F)[*:1] O=[N+]([O-])c1cc2COCOc2c(c1)CN(CC1CC1)C[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)CS[*:1]
COC(=O)Nc1ccc(OC(=O)c2ccc(-n3cccc3)nc2)cc1 COC(=O)N[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccc(nc1)-n1cccc1
COC(=O)Nc1ccc(OC(=O)c2ccc(-n3cccc3)nc2)cc1 c1ccn(c1)[*:1] COC(=O)Nc1ccc(cc1)OC(=O)c1ccc(nc1)[*:1]
CCCN[C@@H](c1ccnn1C)C1([NH+]2CCCC2)CCCC1 Cn1nccc1[*:1] CCCN[C@@H](C1(CCCC1)[NH+]1CCCC1)[*:1]
CCCN[C@@H](c1ccnn1C)C1([NH+]2CCCC2)CCCC1 CCC[*:1] Cn1nccc1[C@H](N[*:1])C1(CCCC1)[NH+]1CCCC1
CCCN[C@@H](c1ccnn1C)C1([NH+]2CCCC2)CCCC1 CCCN[*:1] Cn1nccc1[C@@H](C1(CCCC1)[NH+]1CCCC1)[*:1]
C[C@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@@H]1CC[C@H]1OC(=O)C[C@H]12 c1ccc(cc1)[*:1] C[C@]12CC[C@H]3O[C@H](C[*:1])OC[C@@]3(C)[C@@H]1CC[C@H]1OC(=O)C[C@H]12
C[C@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@@H]1CC[C@H]1OC(=O)C[C@H]12 c1ccc(cc1)C[*:1] C[C@]12CC[C@H]3O[C@H](OC[C@@]3(C)[C@@H]1CC[C@H]1OC(=O)C[C@H]12)[*:1]
N#CCSCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 N#CCS[*:1] O=C(C[*:1])Nc1ccc(cc1)Oc1cccc(F)c1
N#CCSCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 N#CCSC[*:1] O=C(Nc1ccc(cc1)Oc1cccc(F)c1)[*:1]
N#CCSCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] N#CCSCC(=O)Nc1ccc(cc1)O[*:1]
N#CCSCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 N#CC[*:1] O=C(CS[*:1])Nc1ccc(cc1)Oc1cccc(F)c1
CCCNc1cc(C[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] CCCN[*:1] O=[N+]([O-])c1ccc(cc1[*:1])C[NH+]1CCC(O)CC1
CCCNc1cc(C[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCNc1cc(ccc1[*:1])C[NH+]1CCC(O)CC1
CCCNc1cc(C[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] CCC[*:1] O=[N+]([O-])c1ccc(cc1N[*:1])C[NH+]1CCC(O)CC1
Cc1cc(NC(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)on1 Cc1cc(on1)[*:1] CC(C)C(=O)N[C@@H]1CCCN(C1)C(=O)N[*:1]
Cc1cc(NC(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)on1 CC(C)C(=O)N[*:1] Cc1cc(NC(=O)N2CCC[C@@H](C2)[*:1])on1
Cc1cc(NC(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)on1 CC(C)[*:1] Cc1cc(NC(=O)N2CCC[C@H](C2)NC(=O)[*:1])on1
CC(=O)Nc1nc(CN2CCN(Cc3[nH+]ccn3C)[C@H](C)C2)cs1 CC(=O)N[*:1] C[C@@H]1CN(CCN1Cc1[nH+]ccn1C)Cc1csc(n1)[*:1]
CCOc1ccccc1/C=C/C(=O)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CCOc1ccccc1/C=C/C(=O)c1ccc(cc1)[*:1]
CCOc1ccccc1/C=C/C(=O)c1ccc(S(N)(=O)=O)cc1 CCO[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)/C=C/c1ccccc1[*:1]
O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(cc1)[*:1]
O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(-n2cnnn2)cc1 Clc1ccc(Cl)c(c1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)-n1cnnn1
O=C1N(Cc2ccccc2F)c2ccccc2S(=O)(=O)N1c1ccc(F)cc1 Fc1ccccc1[*:1] O=C1N(C[*:1])c2ccccc2S(=O)(=O)N1c1ccc(F)cc1
O=C1N(Cc2ccccc2F)c2ccccc2S(=O)(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1N(Cc2ccccc2F)c2ccccc2S(=O)(=O)N1[*:1]
O=C1N(Cc2ccccc2F)c2ccccc2S(=O)(=O)N1c1ccc(F)cc1 Fc1ccccc1C[*:1] O=C1N(c2ccc(F)cc2)S(=O)(=O)c2ccccc2N1[*:1]
O=C(NC[C@H]1CCC[C@@H](CNC(=O)Nc2c(F)cccc2F)C1)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(NC[C@H]1CCC[C@@H](CNC(=O)N[*:1])C1)Nc1c(F)cccc1F
CO[C@@]1(C)C[C@@H](NC(=O)c2scnc2C2CC2)C1(C)C C1CC1[*:1] CO[C@@]1(C)C[C@@H](NC(=O)c2scnc2[*:1])C1(C)C
CC(C)N(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1F CC(C)[*:1] O=S(=O)(c1cc(Br)ccc1F)N(c1ccccc1)[*:1]
CC(C)N(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1F c1ccc(cc1)[*:1] CC(C)N(S(=O)(=O)c1cc(Br)ccc1F)[*:1]
O=C(NCCc1ccco1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 c1coc(c1)CC[*:1] O=C(N[*:1])c1ccc(cc1)NC1=N[C@H]2CS(=O)(=O)C[C@H]2S1
O=C(NCCc1ccco1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 c1coc(c1)[*:1] O=C(NCC[*:1])c1ccc(cc1)NC1=N[C@H]2CS(=O)(=O)C[C@H]2S1
O=C(NCCc1ccco1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 c1coc(c1)C[*:1] O=C(NC[*:1])c1ccc(cc1)NC1=N[C@H]2CS(=O)(=O)C[C@H]2S1
NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1 Clc1ccc(cc1)[*:1] NC(=O)[C@H](c1ccc(nn1)Sc1ccc(Cl)cc1)[*:1]
NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1 NC(=O)[*:1] Clc1ccc(cc1)Sc1ccc(nn1)[C@@H](c1ccc(Cl)cc1)[*:1]
NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1 Clc1ccc(cc1)[*:1] NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(nn1)S[*:1]
NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1 Clc1ccc(cc1)S[*:1] NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(nn1)[*:1]
CCC[C@H]1CCCN(C(=O)C(=O)Nc2ccc([S@](C)=O)c(F)c2)C1 C[S@](=O)[*:1] CCC[C@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
CCC[C@H]1CCCN(C(=O)C(=O)Nc2ccc([S@](C)=O)c(F)c2)C1 CCC[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2ccc(F)cc2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)N(Cc1c(noc1N1CCOCC1)[*:1])C(=O)c1ccc(F)cc1
Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2ccc(F)cc2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)-c1noc(c1CN(C(=O)c1ccc(F)cc1)[*:1])N1CCOCC1
Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2ccc(F)cc2)C(C)C)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)-c1noc(c1CN(C(=O)[*:1])C(C)C)N1CCOCC1
Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2ccc(F)cc2)C(C)C)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)-c1noc(c1CN(C(=O)c1ccc(F)cc1)C(C)C)[*:1]
CC(C)(C)NC(=O)CCSc1ccccc1 CC(C)(C)[*:1] O=C(CCSc1ccccc1)N[*:1]
O=C(Nc1ccc2nn[nH]c2c1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 c1ccc(cc1)C[*:1] O=C(Nc1ccc2nn[nH]c2c1)c1ccc(nn1)N1CCC(CC1)[*:1]
O=C(Nc1ccc2nn[nH]c2c1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 c1ccc(cc1)[*:1] O=C(Nc1ccc2nn[nH]c2c1)c1ccc(nn1)N1CCC(CC1)C[*:1]
O=C(Nc1ccc2nn[nH]c2c1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 c1cc2nn[nH]c2cc1[*:1] O=C(N[*:1])c1ccc(nn1)N1CCC(CC1)Cc1ccccc1
CC1CCC(N(C)C(=O)CNc2cccc(C(=O)NCCO)c2)CC1 OCC[*:1] CC1CCC(CC1)N(C)C(=O)CNc1cccc(c1)C(=O)N[*:1]
CC1CCC(N(C)C(=O)CNc2cccc(C(=O)NCCO)c2)CC1 CC1CCC(CC1)[*:1] CN(C(=O)CNc1cccc(c1)C(=O)NCCO)[*:1]
CC1CCC(N(C)C(=O)CNc2cccc(C(=O)NCCO)c2)CC1 O=C(NCCO)[*:1] CC1CCC(CC1)N(C)C(=O)CNc1cccc(c1)[*:1]
CC(=O)Nc1ccc([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1C)[*:1]
CC(=O)Nc1ccc([N+](=O)[O-])cc1C CC(=O)N[*:1] Cc1cc(ccc1[*:1])[N+](=O)[O-]
COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)s2)cc1 COc1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C1)c1nnc(s1)C(=O)N[*:1]
COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)s2)cc1 Cc1noc(C)c1[*:1] COc1ccc(cc1)NC(=O)c1nnc(s1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cc(-c2nn3c(CC(C)C)nnc3s2)no1 CC(C)[*:1] Cc1cc(no1)-c1nn2c(C[*:1])nnc2s1
Cc1cc(-c2nn3c(CC(C)C)nnc3s2)no1 CC(C)C[*:1] Cc1cc(no1)-c1nn2c(nnc2s1)[*:1]
Cc1cc(-c2nn3c(CC(C)C)nnc3s2)no1 Cc1cc(no1)[*:1] CC(C)Cc1nnc2sc(nn12)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccnc1C CC[C@H](C)[*:1] Cc1ncccc1NC(=O)C(=O)N[C@H](C)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccnc1C Cc1ncccc1[*:1] CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccnc1C CC[C@H](C)NC(=O)[*:1] Cc1ncccc1NC(=O)C(=O)N[C@H](C)[*:1]
Cc1cscc1CNc1nc2c(cc1C#N)CCC2 Cc1cscc1[*:1] N#Cc1cc2CCCc2nc1NC[*:1]
CCSc1ccc(C(=O)N2CCN(c3nc4c(C)ccc(Cl)c4s3)CC2)cc1 CCSc1ccc(cc1)[*:1] Cc1ccc(Cl)c2sc(nc12)N1CCN(CC1)C(=O)[*:1]
CCSc1ccc(C(=O)N2CCN(c3nc4c(C)ccc(Cl)c4s3)CC2)cc1 CCS[*:1] Cc1ccc(Cl)c2sc(nc12)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1[nH]ncc1C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 Cc1[nH]ncc1[*:1] O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[*:1]
Cc1[nH]ncc1C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1[nH]ncc1C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1[nH]ncc1C(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] Cc1[nH]ncc1C(=O)N[C@@H](c1cccc(F)c1)[*:1]
CCC(=O)NCCNc1ccc([N+](=O)[O-])c[nH+]1 O=[N+]([O-])[*:1] CCC(=O)NCCNc1ccc(c[nH+]1)[*:1]
CCC(=O)NCCNc1ccc([N+](=O)[O-])c[nH+]1 CCC(=O)N[*:1] O=[N+]([O-])c1ccc(NCC[*:1])[nH+]c1
CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@@H]1c1cccs1 c1cncc(c1)[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)N[*:1])[C@@H]1c1cccs1
CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@@H]1c1cccs1 c1csc(c1)[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)[C@H]1[*:1]
CCOC(=O)CNC(=O)c1cnn(-c2ccncc2)c1C CCOC(=O)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)NC[*:1]
CCOC(=O)CNC(=O)c1cnn(-c2ccncc2)c1C c1cc(ccn1)[*:1] CCOC(=O)CNC(=O)c1cnn(c1C)[*:1]
CCOC(=O)CNC(=O)c1cnn(-c2ccncc2)c1C CCOC(=O)C[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N[*:1]
Cc1ccccc1CNC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)CO[*:1] Cc1ccccc1CNC(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1CNC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 Cc1ccccc1[*:1] O=C(NC[*:1])Nc1cccc(c1)OC[C@H]1CCCO1
Cc1ccccc1CNC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 Cc1ccccc1C[*:1] O=C(Nc1cccc(c1)OC[C@H]1CCCO1)N[*:1]
Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 Cc1cnc(s1)[*:1] Cc1nc(cc(n1)[C@@H]1CCCN1S(=O)(=O)N(C)C)N[*:1]
Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 Cc1cnc(N[*:1])s1 Cc1nc(cc(n1)[*:1])[C@@H]1CCCN1S(=O)(=O)N(C)C
C=CCc1cc(C(=O)Nc2ccccc2-n2ccnc2)cc(OC)c1OC c1cn(cn1)[*:1] C=CCc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1[*:1]
C=CCc1cc(C(=O)Nc2ccccc2-n2ccnc2)cc(OC)c1OC C=CC[*:1] COc1cc(cc(c1OC)[*:1])C(=O)Nc1ccccc1-n1ccnc1
CCc1ccc(OCCS(=O)(=O)N2CCCc3ccccc32)cc1 CCc1ccc(cc1)[*:1] O=S(=O)(CCO[*:1])N1CCCc2ccccc21
Cc1nc(N2CCC(C(=O)N3CC[C@@H](c4ccc(F)cc4)C3)CC2)nc2cc(S(C)(=O)=O)ccc12 CS(=O)(=O)[*:1] Cc1nc(nc2cc(ccc12)[*:1])N1CCC(CC1)C(=O)N1CC[C@H](C1)c1ccc(F)cc1
Cc1nc(N2CCC(C(=O)N3CC[C@@H](c4ccc(F)cc4)C3)CC2)nc2cc(S(C)(=O)=O)ccc12 Fc1ccc(cc1)[*:1] Cc1nc(nc2cc(ccc12)S(C)(=O)=O)N1CCC(CC1)C(=O)N1CC[C@@H](C1)[*:1]
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C(C)C Fc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1[*:1])C(C)C
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[*:1]
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C(C)C COC(=O)[*:1] CC(C)[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[*:1]
Cc1ccc(NC(=O)C(=O)N(CCC(F)(F)F)C2CCC2)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)NC(=O)C(=O)N(C[*:1])C1CCC1
Cc1ccc(NC(=O)C(=O)N(CCC(F)(F)F)C2CCC2)cc1 C1CC(C1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N(CCC(F)(F)F)[*:1]
Cc1ccc(NC(=O)C(=O)N(CCC(F)(F)F)C2CCC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])C(=O)N(CCC(F)(F)F)C1CCC1
Cc1ccc(NC(=O)C(=O)N(CCC(F)(F)F)C2CCC2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N(CC[*:1])C1CCC1
Cc1ccc(NC(=O)C(=O)N(CCC(F)(F)F)C2CCC2)cc1 FC(F)(F)CC[*:1] Cc1ccc(cc1)NC(=O)C(=O)N(C1CCC1)[*:1]
COc1ccc(CNC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 CC(C)[*:1] COc1ccc(cc1)CNC(=O)c1cc2cnn(c2nc1C)[*:1]
COc1ccc(CNC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 COc1ccc(cc1)[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[*:1]
CCOCCC(=O)NC[C@H]1CCC[C@H](C)C1 CCOCC[*:1] C[C@H]1CCC[C@H](CNC(=O)[*:1])C1
CCOCCC(=O)NC[C@H]1CCC[C@H](C)C1 CCO[*:1] C[C@H]1CCC[C@H](CNC(=O)CC[*:1])C1
CCOCCC(=O)NC[C@H]1CCC[C@H](C)C1 CCOC[*:1] C[C@H]1CCC[C@H](CNC(=O)C[*:1])C1
COc1cccc2c1OC[C@H](CNC(=O)C1(C(N)=O)CC1)C2 NC(=O)C1(CC1)[*:1] COc1cccc2C[C@@H](CNC(=O)[*:1])COc21
COc1cccc2c1OC[C@H](CNC(=O)C1(C(N)=O)CC1)C2 NC(=O)[*:1] COc1cccc2C[C@@H](CNC(=O)C3(CC3)[*:1])COc21
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)ccc2S1 c1ccc(cc1)C[*:1] C[C@H]1CC(=O)Nc2cc(ccc2S1)S(=O)(=O)N(CCc1ccccc1)[*:1]
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)ccc2S1 c1ccc(cc1)CC[*:1] C[C@H]1CC(=O)Nc2cc(ccc2S1)S(=O)(=O)N(Cc1ccccc1)[*:1]
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)ccc2S1 c1ccc(cc1)[*:1] C[C@H]1CC(=O)Nc2cc(ccc2S1)S(=O)(=O)N(CC[*:1])Cc1ccccc1
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)ccc2S1 c1ccc(cc1)C[*:1] C[C@H]1CC(=O)Nc2cc(ccc2S1)S(=O)(=O)N(Cc1ccccc1)C[*:1]
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)ccc2S1 c1ccc(cc1)[*:1] C[C@H]1CC(=O)Nc2cc(ccc2S1)S(=O)(=O)N(CCc1ccccc1)C[*:1]
O=C([O-])c1cc(NC(=O)c2cccnc2Cl)ccc1O O=C([O-])[*:1] O=C(Nc1ccc(O)c(c1)[*:1])c1cccnc1Cl
Cc1ncsc1CCS(=O)(=O)c1nccn1-c1cccc(F)c1 Cc1ncsc1[*:1] O=S(=O)(CC[*:1])c1nccn1-c1cccc(F)c1
Cc1ncsc1CCS(=O)(=O)c1nccn1-c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ncsc1CCS(=O)(=O)c1nccn1[*:1]
Cc1ncsc1CCS(=O)(=O)c1nccn1-c1cccc(F)c1 Cc1ncsc1C[*:1] O=S(=O)(C[*:1])c1nccn1-c1cccc(F)c1
CSC[C@@H](CCO)[NH2+][C@H]1CCCc2ccc(Br)cc21 OCC[*:1] CSC[C@@H]([NH2+][C@H]1CCCc2ccc(Br)cc21)[*:1]
CSC[C@@H](CCO)[NH2+][C@H]1CCCc2ccc(Br)cc21 CSC[*:1] OCC[C@@H]([NH2+][C@H]1CCCc2ccc(Br)cc21)[*:1]
CC[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1N1CCOCC1 CC(C)(C)[*:1] CC[C@@H]1CN(C[C@H]1N1CCOCC1)C(=O)[*:1]
CC[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@H]1CN(C[C@@H]1[*:1])C(=O)C(C)(C)C
COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)cc4)cc3c2=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ccc(cc1)-c1cc2c(=O)n(CC(=O)N[*:1])ncn2n1
COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)cc4)cc3c2=O)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(NC(=O)Cn2ncn3nc(cc3c2=O)[*:1])c(c1)OC
Cc1ccc(OCCC[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1C O=C(N1CCOCC1)[*:1] Cc1ccc(cc1C)OCCC[NH+]1CCC(CC1)[*:1]
Cc1ccc(OCCC[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(C1CC[NH+](CCCO[*:1])CC1)N1CCOCC1
CC[C@@H](O)CN1CCN([C@@H](C(=O)OC)c2ccccc2Cl)CC1 CC[C@@H](O)C[*:1] COC(=O)[C@@H](c1ccccc1Cl)N1CCN(CC1)[*:1]
CC[C@@H](O)CN1CCN([C@@H](C(=O)OC)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC[C@@H](O)CN1CCN(CC1)[C@@H](C(=O)OC)[*:1]
CC[C@@H](O)CN1CCN([C@@H](C(=O)OC)c2ccccc2Cl)CC1 CC[C@@H](O)[*:1] COC(=O)[C@@H](c1ccccc1Cl)N1CCN(CC1)C[*:1]
CC[C@@H](O)CN1CCN([C@@H](C(=O)OC)c2ccccc2Cl)CC1 COC(=O)[*:1] CC[C@@H](O)CN1CCN(CC1)[C@@H](c1ccccc1Cl)[*:1]
N#CCOc1cccc(CC(=O)N[C@@H]2C[C@H]2c2ccccc2F)c1 Fc1ccccc1[*:1] N#CCOc1cccc(c1)CC(=O)N[C@@H]1C[C@@H]1[*:1]
N#CCOc1cccc(CC(=O)N[C@@H]2C[C@H]2c2ccccc2F)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])N[C@@H]1C[C@H]1c1ccccc1F
N#CCOc1cccc(CC(=O)N[C@@H]2C[C@H]2c2ccccc2F)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])N[C@@H]1C[C@H]1c1ccccc1F
C[C@@H](NC(=O)NCc1ccnc(OC2CCC2)c1)[C@H]1COc2ccccc21 C1CC(C1)[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)O[*:1])[C@H]1COc2ccccc21
C[C@@H](NC(=O)NCc1ccnc(OC2CCC2)c1)[C@H]1COc2ccccc21 C1CC(C1)O[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)[*:1])[C@H]1COc2ccccc21
Cc1ccc(-c2nnc(SCC(=O)N(C3CC3)[C@H](C)C3CC3)n2C)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N([C@H](C)C2CC2)[*:1])n1C
Cc1ccc(-c2nnc(SCC(=O)N(C3CC3)[C@H](C)C3CC3)n2C)cc1 Cc1ccc(cc1)[*:1] C[C@H](C1CC1)N(C(=O)CSc1nnc(n1C)[*:1])C1CC1
Cc1ccc(-c2nnc(SCC(=O)N(C3CC3)[C@H](C)C3CC3)n2C)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N(C2CC2)[C@H](C)[*:1])n1C
CCS(=O)(=O)c1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)no2)cc1 CCS(=O)(=O)[*:1] Cc1c(NC(=O)c2cc(on2)-c2ccc(cc2)[*:1])c(=O)n(-c2ccccc2)n1C
CCS(=O)(=O)c1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)no2)cc1 c1ccc(cc1)[*:1] CCS(=O)(=O)c1ccc(cc1)-c1cc(no1)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
CCS(=O)(=O)c1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)no2)cc1 CCS(=O)(=O)c1ccc(cc1)[*:1] Cc1c(NC(=O)c2cc(on2)[*:1])c(=O)n(-c2ccccc2)n1C
C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)[*:1]
C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)C(=O)N1CCOCC1 FC(F)(F)[*:1] C[C@@H](NC(=O)Cc1ccccc1[*:1])C(=O)N1CCOCC1
CCOC(=O)[C@H]1CCCN(C(=O)CSc2ccccc2C)C1 CCOC(=O)[*:1] Cc1ccccc1SCC(=O)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)CSc2ccccc2C)C1 Cc1ccccc1[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)CS[*:1]
CCc1ccccc1OC1CN(C(=O)Nc2nnc(C(F)(F)F)s2)C1 FC(F)(F)[*:1] CCc1ccccc1OC1CN(C1)C(=O)Nc1nnc(s1)[*:1]
CCc1ccccc1OC1CN(C(=O)Nc2nnc(C(F)(F)F)s2)C1 CCc1ccccc1[*:1] O=C(Nc1nnc(s1)C(F)(F)F)N1CC(C1)O[*:1]
C[C@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 FC(F)(F)[*:1] C[C@H](c1nc(N)nc(n1)N(C)C)[NH+]1CCN(CC1)Cc1ccc(cc1)O[*:1]
C[C@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 CN(C)c1nc(N)nc(n1)[*:1] C[C@H]([NH+]1CCN(CC1)Cc1ccc(cc1)OC(F)(F)F)[*:1]
C[C@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 FC(F)(F)O[*:1] C[C@H](c1nc(N)nc(n1)N(C)C)[NH+]1CCN(CC1)Cc1ccc(cc1)[*:1]
C[C@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 CN(C)[*:1] C[C@H](c1nc(N)nc(n1)[*:1])[NH+]1CCN(CC1)Cc1ccc(cc1)OC(F)(F)F
Cc1cc(NC(=O)NCc2ccc(OCC(C)C)cc2)no1 CC(C)[*:1] Cc1cc(no1)NC(=O)NCc1ccc(cc1)OC[*:1]
Cc1cc(NC(=O)NCc2ccc(OCC(C)C)cc2)no1 Cc1cc(no1)[*:1] CC(C)COc1ccc(cc1)CNC(=O)N[*:1]
Cc1cc(NC(=O)NCc2ccc(OCC(C)C)cc2)no1 CC(C)C[*:1] Cc1cc(no1)NC(=O)NCc1ccc(cc1)O[*:1]
Cc1cc(NC(=O)NCc2ccc(OCC(C)C)cc2)no1 CC(C)CO[*:1] Cc1cc(no1)NC(=O)NCc1ccc(cc1)[*:1]
O=C(c1ccc(F)cc1F)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 Fc1ccc(c(F)c1)[*:1] O=C(N1CCN(CC1)Cc1nc(cs1)-c1ccco1)[*:1]
O=C(c1ccc(F)cc1F)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 c1coc(c1)[*:1] O=C(c1ccc(F)cc1F)N1CCN(CC1)Cc1nc(cs1)[*:1]
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 O=[N+]([O-])[*:1] C=C1C(C)(C)[C@H]2CC[C@@]1(C2)C(=O)NNc1ccc(cc1[N+](=O)[O-])[*:1]
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 O=[N+]([O-])[*:1] C=C1C(C)(C)[C@H]2CC[C@@]1(C2)C(=O)NNc1ccc(cc1[*:1])[N+](=O)[O-]
Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccncc2)c1[N+](=O)[O-] Cc1cc(Cl)ccc1N[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1ccncc1
Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccncc2)c1[N+](=O)[O-] Cc1cc(Cl)ccc1[*:1] O=C(NNc1ncnc(N[*:1])c1[N+](=O)[O-])c1ccncc1
Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccncc2)c1[N+](=O)[O-] c1cc(ccn1)[*:1] Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccncc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccncc2)c1[*:1]
NNC(=O)c1ccc(CNc2cccc(C(F)(F)F)c2)o1 NNC(=O)[*:1] FC(F)(F)c1cccc(c1)NCc1ccc(o1)[*:1]
NNC(=O)c1ccc(CNc2cccc(C(F)(F)F)c2)o1 FC(F)(F)[*:1] NNC(=O)c1ccc(CNc2cccc(c2)[*:1])o1
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)C3)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1Cl Clc1cc(Br)ccc1O[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1Cl Clc1ccc(O[*:1])c(Cl)c1 C[C@H](C(=O)NNC(=O)COc1ccc(Br)cc1Cl)[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1Cl Clc1cc(Br)ccc1[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CO[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)COc1ccc(Br)cc1Cl
CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 O=[N+]([O-])[*:1] CCN(Cc1cccc(c1)[*:1])C(=O)NCc1ccc[nH+]c1N1CCOCC1
CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 C1CN(CCO1)[*:1] CCN(Cc1cccc(c1)[N+](=O)[O-])C(=O)NCc1ccc[nH+]c1[*:1]
CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 O=[N+]([O-])c1cccc(c1)[*:1] CCN(C[*:1])C(=O)NCc1ccc[nH+]c1N1CCOCC1
O=C(NCc1ccc(-n2cncn2)cc1)c1cccc2[nH]ccc12 c1ncn(n1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cccc2[nH]ccc12
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc2ncccc2c1)[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)Cn1ccccc1=O O=c1ccccn1[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)C[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)Cn1ccccc1=O CC(C)[*:1] O=C(Cn1ccccc1=O)NCCn1c(n[nH]c1=S)[*:1]
Cc1cccc([C@@H](NC(=O)Nc2ncnn2C)C(C)(C)C)c1 Cc1cccc(c1)[*:1] Cn1ncnc1NC(=O)N[C@@H](C(C)(C)C)[*:1]
Cc1cccc([C@@H](NC(=O)Nc2ncnn2C)C(C)(C)C)c1 Cn1ncnc1[*:1] Cc1cccc(c1)[C@@H](NC(=O)N[*:1])C(C)(C)C
Cc1cccc([C@@H](NC(=O)Nc2ncnn2C)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@@H](NC(=O)Nc1ncnn1C)[*:1]
CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3nnc(Cc4cccc(OC)c4)s3)C2)CC1 COc1cccc(c1)C[*:1] CC[NH+]1CCN(CC1)[C@H]1CCN(C1)C(=O)Nc1nnc(s1)[*:1]
CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3nnc(Cc4cccc(OC)c4)s3)C2)CC1 COc1cccc(c1)[*:1] CC[NH+]1CCN(CC1)[C@H]1CCN(C1)C(=O)Nc1nnc(C[*:1])s1
C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1cnn(C)c1 C=CCNC(=O)[*:1] Cn1cc(/C=C/C(=O)Nc2ccccc2[*:1])cn1
C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1cnn(C)c1 Cn1cc(cn1)[*:1] C=CCNC(=O)c1ccccc1NC(=O)C=C[*:1]
C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1cnn(C)c1 C=CC[*:1] Cn1cc(/C=C/C(=O)Nc2ccccc2C(=O)N[*:1])cn1
CCC[NH2+][C@H](C)c1cc(F)ccc1OC(C)(C)CC CCC[*:1] CCC(C)(C)Oc1ccc(F)cc1[C@@H](C)[NH2+][*:1]
CCC[NH2+][C@H](C)c1cc(F)ccc1OC(C)(C)CC CCC(C)(C)[*:1] CCC[NH2+][C@H](C)c1cc(F)ccc1O[*:1]
CCC[NH2+][C@H](C)c1cc(F)ccc1OC(C)(C)CC CCC(C)(C)O[*:1] CCC[NH2+][C@H](C)c1cc(F)ccc1[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(C(=O)N(C)C)CC1 CC(C)[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)c1ccccc1S(=O)(=O)[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(C(=O)N(C)C)CC1 CC(C)S(=O)(=O)[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)c1ccccc1[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(C(=O)N(C)C)CC1 CN(C)C(=O)[*:1] CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(CC1)[*:1]
CC(=O)Oc1ccc(/C(C)=N\NC(=O)c2cc(C)oc2C)cc1 CC(=O)O[*:1] C/C(=N/NC(=O)c1cc(C)oc1C)c1ccc(cc1)[*:1]
CC(=O)Oc1ccc(/C(C)=N\NC(=O)c2cc(C)oc2C)cc1 Cc1cc(c(C)o1)[*:1] CC(=O)Oc1ccc(cc1)/C(C)=N\NC(=O)[*:1]
C[C@H]1CN(C(=O)c2ncccc2OCC(F)(F)F)C[C@@H](C)O1 FC(F)(F)CO[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ncccc1[*:1]
C[C@H]1CN(C(=O)c2ncccc2OCC(F)(F)F)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ncccc1OC[*:1]
C[C@H]1CN(C(=O)c2ncccc2OCC(F)(F)F)C[C@@H](C)O1 FC(F)(F)C[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ncccc1O[*:1]
C[C@H](CCO)Sc1ccc(C[NH2+]C(C)(C)C)cc1 C[C@H](CCO)S[*:1] CC(C)(C)[NH2+]Cc1ccc(cc1)[*:1]
C[C@H](CCO)Sc1ccc(C[NH2+]C(C)(C)C)cc1 C[C@H](CCO)[*:1] CC(C)(C)[NH2+]Cc1ccc(cc1)S[*:1]
C[C@H](CCO)Sc1ccc(C[NH2+]C(C)(C)C)cc1 CC(C)(C)[NH2+]C[*:1] C[C@H](CCO)Sc1ccc(cc1)[*:1]
C[C@H](CCO)Sc1ccc(C[NH2+]C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](CCO)Sc1ccc(cc1)C[NH2+][*:1]
C[C@H](CCO)Sc1ccc(C[NH2+]C(C)(C)C)cc1 OCC[*:1] C[C@H](Sc1ccc(cc1)C[NH2+]C(C)(C)C)[*:1]
COc1ccc2oc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)c(C)c2c1 CC(C)[*:1] COc1ccc2oc(C(=O)N(Cc3nnc(o3)-c3ccccc3Cl)[*:1])c(C)c2c1
COc1ccc2oc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)c(C)c2c1 Clc1ccccc1[*:1] COc1ccc2oc(C(=O)N(Cc3nnc(o3)[*:1])C(C)C)c(C)c2c1
CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1c(C)cccc1C Cc1cccc(C)c1[*:1] CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCO[*:1]
CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1c(C)cccc1C Cc1cccc(C)c1O[*:1] CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCC[*:1]
CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1c(C)cccc1C Cc1cccc(C)c1OC[*:1] CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC[*:1]
CCOC(=O)c1nc([C@@H]2CC[NH2+][C@H]2C)n[n-]1 CCOC(=O)[*:1] C[C@@H]1[NH2+]CC[C@H]1c1n[n-]c(n1)[*:1]
CC(C)CC[C@@H](O)[C@H]1CCO[C@]2(CCSC2)C1 CC(C)C[*:1] O[C@H](C[*:1])[C@H]1CCO[C@]2(CCSC2)C1
CC(C)CC[C@@H](O)[C@H]1CCO[C@]2(CCSC2)C1 CC(C)[*:1] O[C@H](CC[*:1])[C@H]1CCO[C@]2(CCSC2)C1
CC(C)CC[C@@H](O)[C@H]1CCO[C@]2(CCSC2)C1 CC(C)CC[*:1] O[C@@H]([C@H]1CCO[C@]2(CCSC2)C1)[*:1]
Cc1nc(-c2ccccc2)sc1CNC(=O)N[C@@H]1C=C[C@H](CO)C1 c1ccc(cc1)[*:1] Cc1nc(sc1CNC(=O)N[C@@H]1C=C[C@H](CO)C1)[*:1]
CC(C)N(C)C(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O CC(C)N(C)C(=O)[*:1] C[C@H](N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[*:1]
CC(C)N(C)C(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O CC(C)[*:1] C[C@@H](C(=O)N(C)[*:1])N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
O=C(C[NH+]1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(C[NH+]1CCC2(CC1)N=C(C(=O)N2)c1cccc(F)c1)N[*:1]
O=C(C[NH+]1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)NCc1ccccc1Cl Fc1cccc(c1)[*:1] O=C(C[NH+]1CCC2(CC1)N=C(C(=O)N2)[*:1])NCc1ccccc1Cl
O=C(C[NH+]1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(C[NH+]1CCC2(CC1)N=C(C(=O)N2)c1cccc(F)c1)NC[*:1]
Cc1nc(NC(=O)[C@H](C)n2cncn2)sc1Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1nc(NC(=O)[C@H](C)n2cncn2)sc1C[*:1]
Cc1nc(NC(=O)[C@H](C)n2cncn2)sc1Cc1ccccc1Cl c1ncn(n1)[*:1] Cc1nc(NC(=O)[C@H](C)[*:1])sc1Cc1ccccc1Cl
Cc1nc(NC(=O)[C@H](C)n2cncn2)sc1Cc1ccccc1Cl Clc1ccccc1C[*:1] Cc1nc(NC(=O)[C@H](C)n2cncn2)sc1[*:1]
C[C@H](CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 Cn1ccnc1[*:1] C[C@H](CNC(=O)C[C@@](O)(C(F)(F)F)[*:1])c1ccccc1
C[C@H](CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] C[C@H](CNC(=O)C[C@@](O)(c1nccn1C)[*:1])c1ccccc1
C[C@H](CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)[*:1]
C[C@H](CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 C[C@H](c1ccccc1)[*:1] Cn1ccnc1[C@](O)(CC(=O)NC[*:1])C(F)(F)F
Cc1nccn1-c1ncc(NC(=O)Nc2ccccc2Cl)cn1 Cc1nccn1[*:1] O=C(Nc1cnc(nc1)[*:1])Nc1ccccc1Cl
Cc1nccn1-c1ncc(NC(=O)Nc2ccccc2Cl)cn1 Clc1ccccc1[*:1] Cc1nccn1-c1ncc(cn1)NC(=O)N[*:1]
Cc1ccc(/C(N)=N/OC(=O)CCCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)/C(N)=N/OC(=O)CCC[*:1]
Cc1ccc(/C(N)=N/OC(=O)CCCc2ccccc2)cc1 Cc1ccc(cc1)[*:1] N/C(=N\OC(=O)CCCc1ccccc1)[*:1]
Cc1ccc(/C(N)=N/OC(=O)CCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)/C(N)=N/OC(=O)CC[*:1]
O=C(C1CCCC1)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 C1CCC(C1)[*:1] O=C(N1CCN(CC1)CCn1cc(cn1)[N+](=O)[O-])[*:1]
O=C(C1CCCC1)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 O=[N+]([O-])[*:1] O=C(C1CCCC1)N1CCN(CC1)CCn1cc(cn1)[*:1]
Cc1ccc(/C=C/C(=O)N2C[C@@H](C)C[C@@H](C)C2)o1 Cc1ccc(o1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)C=C[*:1]
CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 Fc1ccc(cc1)[*:1] CC(=O)NC1(CC[NH+](CC1)Cc1c[nH]nc1C(C)(C)C)[*:1]
CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 CC(=O)N[*:1] CC(C)(C)c1n[nH]cc1C[NH+]1CCC(CC1)(c1ccc(F)cc1)[*:1]
CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 CC(C)(C)[*:1] CC(=O)NC1(CC[NH+](CC1)Cc1c[nH]nc1[*:1])c1ccc(F)cc1
CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 CC(C)(C)c1n[nH]cc1[*:1] CC(=O)NC1(CC[NH+](CC1)C[*:1])c1ccc(F)cc1
CCOc1cccc2sc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)nc12 CCO[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1nc2c(cccc2s1)[*:1]
CCOc1cccc2sc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)nc12 Cc1ccc(cc1)[*:1] CCOc1cccc2sc(nc12)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(Br)cc1CNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O COc1ccc(Br)cc1[*:1] O=C(Cn1ncn2nc(cc2c1=O)-c1cccs1)NC[*:1]
COc1ccc(Br)cc1CNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O c1csc(c1)[*:1] COc1ccc(Br)cc1CNC(=O)Cn1ncn2nc(cc2c1=O)[*:1]
Cc1cccc(NC(=O)c2oc3ccccc3c2COC(C)C)n1 Cc1cccc(n1)[*:1] CC(C)OCc1c(oc2ccccc12)C(=O)N[*:1]
Cc1cccc(NC(=O)c2oc3ccccc3c2COC(C)C)n1 CC(C)OC[*:1] Cc1cccc(n1)NC(=O)c1oc2ccccc2c1[*:1]
Cc1cccc(NC(=O)c2oc3ccccc3c2COC(C)C)n1 CC(C)[*:1] Cc1cccc(n1)NC(=O)c1oc2ccccc2c1CO[*:1]
Cc1cccc(NC(=O)c2oc3ccccc3c2COC(C)C)n1 CC(C)O[*:1] Cc1cccc(n1)NC(=O)c1oc2ccccc2c1C[*:1]
CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(NC(=O)CC)c2)cc1 CCC(=O)N[*:1] CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(c2)[*:1])cc1
CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(NC(=O)CC)c2)cc1 CCO[*:1] CCC(=O)Nc1cc(ccc1C)NC(=O)/C=C/c1ccc(cc1)[*:1]
C[C@H]1CCC[C@@](CNC(=O)C[C@H](O)c2cccc(F)c2)([NH+](C)C)C1 Fc1cccc(c1)[*:1] C[C@H]1CCC[C@](CNC(=O)C[C@H](O)[*:1])(C1)[NH+](C)C
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1ccc(Cl)cc1
Cc1ccc(S(=O)(=O)/N=C(\N)N2CCN(c3ccccc3F)CC2)cc1C Cc1ccc(cc1C)[*:1] N/C(=N\S(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1F
Cc1ccc(S(=O)(=O)/N=C(\N)N2CCN(c3ccccc3F)CC2)cc1C Fc1ccccc1[*:1] Cc1ccc(cc1C)S(=O)(=O)/N=C(\N)N1CCN(CC1)[*:1]
Cc1ccc(-c2noc(C[S@](=O)CC(=O)N[C@@H](C)C(C)C)n2)cc1F CC(C)[*:1] Cc1ccc(cc1F)-c1noc(C[S@](=O)CC(=O)N[C@@H](C)[*:1])n1
Cc1ccc(-c2noc(C[S@](=O)CC(=O)N[C@@H](C)C(C)C)n2)cc1F CC(C)[C@H](C)NC(=O)[*:1] Cc1ccc(cc1F)-c1noc(C[S@](=O)C[*:1])n1
Cc1ccc(-c2noc(C[S@](=O)CC(=O)N[C@@H](C)C(C)C)n2)cc1F CC(C)[C@H](C)[*:1] Cc1ccc(cc1F)-c1noc(C[S@](=O)CC(=O)N[*:1])n1
Cc1ccc(-c2noc(C[S@](=O)CC(=O)N[C@@H](C)C(C)C)n2)cc1F Cc1ccc(cc1F)[*:1] CC(C)[C@H](C)NC(=O)C[S@@](=O)Cc1nc(no1)[*:1]
COc1ccc(NC(=O)C(=O)NCCCc2c(C)noc2C)c(C)c1 Cc1noc(C)c1C[*:1] COc1ccc(NC(=O)C(=O)NCC[*:1])c(C)c1
COc1ccc(NC(=O)C(=O)NCCCc2c(C)noc2C)c(C)c1 Cc1noc(C)c1[*:1] COc1ccc(NC(=O)C(=O)NCCC[*:1])c(C)c1
CCN(CC(C)(C)O)C(=O)CCc1cc(Br)cs1 Brc1csc(c1)[*:1] CCN(CC(C)(C)O)C(=O)CC[*:1]
CCN(CC(C)(C)O)C(=O)CCc1cc(Br)cs1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)CCc1cc(Br)cs1
CCN(CC(C)(C)O)C(=O)CCc1cc(Br)cs1 CC(C)(O)C[*:1] CCN(C(=O)CCc1cc(Br)cs1)[*:1]
Cn1ncnc1CC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 Cn1ncnc1[*:1] Clc1cc(Cl)c2OCC(=Cc2c1)C[NH2+]CC[*:1]
Cn1ncnc1CC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 Cn1ncnc1C[*:1] Clc1cc(Cl)c2OCC(=Cc2c1)C[NH2+]C[*:1]
C[C@H](NC(=O)C1CCC1)C(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] C[C@H](NC(=O)C1CCC1)C(=O)N1CCOC[C@H]1[*:1]
C[C@H](NC(=O)C1CCC1)C(=O)N1CCOC[C@@H]1C1CC1 C1CC(C1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCOC[C@@H]1C1CC1
Cc1occc1CN(C)Cc1cnc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] Cc1occc1CN(C)Cc1cnc(nc1)[*:1]
Cc1occc1CN(C)Cc1cnc(N2CCOCC2)nc1 Cc1occc1[*:1] CN(Cc1cnc(nc1)N1CCOCC1)C[*:1]
Cc1occc1CN(C)Cc1cnc(N2CCOCC2)nc1 Cc1occc1C[*:1] CN(Cc1cnc(nc1)N1CCOCC1)[*:1]
CCc1nc2cc(NC(=O)N3CCC[C@@H]3CN3CCOCC3)ccc2o1 C1CN(CCO1)[*:1] CCc1nc2cc(ccc2o1)NC(=O)N1CCC[C@@H]1C[*:1]
CCc1nc2cc(NC(=O)N3CCC[C@@H]3CN3CCOCC3)ccc2o1 C1CN(CCO1)C[*:1] CCc1nc2cc(ccc2o1)NC(=O)N1CCC[C@H]1[*:1]
CCC[C@H](Cn1c(C)cc(=O)cc1C)C(=O)[O-] O=C([O-])[*:1] CCC[C@H](Cn1c(C)cc(=O)cc1C)[*:1]
CCC[C@H](Cn1c(C)cc(=O)cc1C)C(=O)[O-] CCC[*:1] Cc1cc(=O)cc(C)n1C[C@H](C(=O)[O-])[*:1]
CO/N=C\[C@H]1CCN(c2ncccn2)C1=O CON=C[*:1] O=C1[C@H](CCN1c1ncccn1)[*:1]
CC(C)OC(=O)N1CCC(Nc2ncccn2)CC1 CC(C)[*:1] O=C(O[*:1])N1CCC(CC1)Nc1ncccn1
CC(C)OC(=O)N1CCC(Nc2ncccn2)CC1 c1cnc(nc1)[*:1] CC(C)OC(=O)N1CCC(CC1)N[*:1]
COc1ccccc1[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1noc(C)n1 Cc1nc(no1)[*:1] COc1ccccc1[C@H](NC(=O)c1cnn(c1)-c1ccccc1)[*:1]
COc1ccccc1[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1noc(C)n1 COc1ccccc1[*:1] Cc1nc(no1)[C@@H](NC(=O)c1cnn(c1)-c1ccccc1)[*:1]
COc1ccccc1[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1noc(C)n1 c1ccc(cc1)[*:1] COc1ccccc1[C@H](NC(=O)c1cnn(c1)[*:1])c1noc(C)n1
COC(=O)CCC(=O)Nc1c(C(C)C)cccc1C(C)C COC(=O)[*:1] CC(C)c1cccc(c1NC(=O)CC[*:1])C(C)C
COC(=O)CCC(=O)Nc1c(C(C)C)cccc1C(C)C COC(=O)CC[*:1] CC(C)c1cccc(c1NC(=O)[*:1])C(C)C
COC(=O)CCC(=O)Nc1c(C(C)C)cccc1C(C)C CC(C)[*:1] COC(=O)CCC(=O)Nc1c(cccc1[*:1])C(C)C
COC(=O)CCC(=O)Nc1c(C(C)C)cccc1C(C)C COC(=O)C[*:1] CC(C)c1cccc(c1NC(=O)C[*:1])C(C)C
COC[C@H](O)CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 COC[C@H](O)[*:1] COc1ccc2CC[C@H](Cc2c1)[NH2+]CC[*:1]
COC[C@H](O)CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 COC[C@H](O)C[*:1] COc1ccc2CC[C@H](Cc2c1)[NH2+]C[*:1]
COC[C@H](O)CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 COC[*:1] COc1ccc2CC[C@H](Cc2c1)[NH2+]CC[C@@H](O)[*:1]
O=C(c1ccc(OCC2CC2)cc1)N1CC(O)C1 C1CC1[*:1] O=C(c1ccc(cc1)OC[*:1])N1CC(O)C1
O=C(c1ccc(OCC2CC2)cc1)N1CC(O)C1 C1CC1C[*:1] O=C(c1ccc(cc1)O[*:1])N1CC(O)C1
O=C(c1ccc(OCC2CC2)cc1)N1CC(O)C1 C1CC1CO[*:1] O=C(c1ccc(cc1)[*:1])N1CC(O)C1
COC(=O)C(C)(C)NC(=O)c1cccc(OC)c1F COC(=O)[*:1] COc1cccc(C(=O)NC(C)(C)[*:1])c1F
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] COC(=O)[*:1] CC(C)(C)OC(=O)N1C[C@H]([C@H](C1)C(=O)[O-])[*:1]
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] CC(C)(C)[*:1] COC(=O)[C@@H]1CN(C[C@@H]1C(=O)[O-])C(=O)O[*:1]
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] COC(=O)[C@@H]1CN(C[C@H]1[*:1])C(=O)OC(C)(C)C
Cn1c(=O)c2c(ncn2CC(=O)N(Cc2c(F)cccc2Cl)C2CC2)n(C)c1=O Fc1cccc(Cl)c1C[*:1] Cn1c(=O)c2c(ncn2CC(=O)N(C2CC2)[*:1])n(C)c1=O
Cn1c(=O)c2c(ncn2CC(=O)N(Cc2c(F)cccc2Cl)C2CC2)n(C)c1=O Fc1cccc(Cl)c1[*:1] Cn1c(=O)c2c(ncn2CC(=O)N(C[*:1])C2CC2)n(C)c1=O
Cn1c(=O)c2c(ncn2CC(=O)N(Cc2c(F)cccc2Cl)C2CC2)n(C)c1=O C1CC1[*:1] Cn1c(=O)c2c(ncn2CC(=O)N(Cc2c(F)cccc2Cl)[*:1])n(C)c1=O
CC(C)C[C@@H](C)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 CC(C)C[C@@H](C)[*:1] O=C(C[*:1])Nc1n[n-]c(n1)C(F)(F)F
CC(C)C[C@@H](C)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 FC(F)(F)[*:1] CC(C)C[C@@H](C)CC(=O)Nc1n[n-]c(n1)[*:1]
CC(C)C[C@@H](C)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 CC(C)C[*:1] C[C@@H](CC(=O)Nc1n[n-]c(n1)C(F)(F)F)[*:1]
CC(C)C[C@@H](C)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 CC(C)[*:1] C[C@@H](CC(=O)Nc1n[n-]c(n1)C(F)(F)F)C[*:1]
CCn1c(C[C@H](N)c2cnccn2)nc2ccccc21 c1cnc(cn1)[*:1] CCn1c(C[C@H](N)[*:1])nc2ccccc21
C[NH+](C)CCCNC(=O)C1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] C[NH+](C)CCCNC(=O)C1CCN(CC1)[*:1]
CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2C1 O=[N+]([O-])c1ccccc1[*:1] CCCS(=O)(=O)N1CCc2ccc(cc2C1)NC(=O)[*:1]
CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] CCCS(=O)(=O)N1CCc2ccc(cc2C1)NC(=O)c1ccccc1[*:1]
CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2C1 CCC[*:1] O=C(Nc1ccc2CCN(Cc2c1)S(=O)(=O)[*:1])c1ccccc1[N+](=O)[O-]
Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC[C@H](CCC(N)=O)C1)C2 NC(=O)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N1CCC[C@H](CC[*:1])C1
Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC[C@H](CCC(N)=O)C1)C2 NC(=O)C[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N1CCC[C@@H](C1)C[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC[C@H](CCC(N)=O)C1)C2 NC(=O)CC[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N1CCC[C@H](C1)[*:1]
CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(C#N)cc1 COc1ccc(cc1)[*:1] CCN(C[*:1])C(=O)NCc1ccc(C#N)cc1
CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCN(Cc1ccc(cc1)OC)C(=O)NC[*:1]
COc1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1ccccc1CC(=O)Nc1ccc(cc1OC)[*:1]
CCc1noc([C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)C2)n1 CCc1noc(n1)[*:1] O=C1C[C@H](CN1Cc1ccc2OCOc2c1)[*:1]
CC(C)C[C@@H](C[NH2+]Cc1ccc(Cl)o1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@@H](C[NH2+]Cc1ccc(Cl)o1)[*:1]
CC(C)C[C@@H](C[NH2+]Cc1ccc(Cl)o1)N1CCOCC1 CC(C)C[*:1] Clc1ccc(C[NH2+]C[C@@H](N2CCOCC2)[*:1])o1
CC(C)C[C@@H](C[NH2+]Cc1ccc(Cl)o1)N1CCOCC1 Clc1ccc(o1)[*:1] CC(C)C[C@@H](C[NH2+]C[*:1])N1CCOCC1
CC(C)C[C@@H](C[NH2+]Cc1ccc(Cl)o1)N1CCOCC1 CC(C)[*:1] Clc1ccc(C[NH2+]C[C@H](C[*:1])N2CCOCC2)o1
COCC[C@@H](C)C(=O)N(c1ccc(C#N)cc1)C1CC1 C1CC1[*:1] COCC[C@@H](C)C(=O)N(c1ccc(C#N)cc1)[*:1]
COCC[C@@H](C)C(=O)N(c1ccc(C#N)cc1)C1CC1 COCC[*:1] C[C@@H](C(=O)N(c1ccc(C#N)cc1)C1CC1)[*:1]
COCC[C@@H](C)C(=O)N(c1ccc(C#N)cc1)C1CC1 COC[*:1] C[C@H](C[*:1])C(=O)N(c1ccc(C#N)cc1)C1CC1
CO[C@H](C)c1nc(Cn2cc(Br)c(C(C)C)n2)cs1 CO[C@H](C)[*:1] CC(C)c1nn(cc1Br)Cc1csc(n1)[*:1]
CO[C@H](C)c1nc(Cn2cc(Br)c(C(C)C)n2)cs1 CC(C)[*:1] CO[C@H](C)c1nc(cs1)Cn1cc(Br)c(n1)[*:1]
Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCCC2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)[*:1])[NH+]1CCCCC1
Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCCC1)[*:1])c1cccc(Cl)c1
COc1ccc(NC(=O)CS[C@@H]2N=C3N=NC=C3C(=O)N2c2cccc(Cl)c2C)c(OC)c1 Cc1c(Cl)cccc1[*:1] COc1ccc(NC(=O)CS[C@@H]2N=C3N=NC=C3C(=O)N2[*:1])c(c1)OC
COc1ccc(NC(=O)CS[C@@H]2N=C3N=NC=C3C(=O)N2c2cccc(Cl)c2C)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1c(Cl)cccc1N1C(=O)C2=CN=NC2=N[C@H]1SCC(=O)N[*:1]
CC(=O)C1=NN(c2ccccc2Cl)[C@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]12 Clc1ccccc1[*:1] CC(=O)C1=NN([C@H]2C(=O)N(C(=O)[C@H]12)c1ccc(C)cc1C)[*:1]
CC(=O)C1=NN(c2ccccc2Cl)[C@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]12 Cc1ccc(c(C)c1)[*:1] CC(=O)C1=NN(c2ccccc2Cl)[C@H]2C(=O)N(C(=O)[C@H]12)[*:1]
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1C[C@@H]1CCCO1 c1cc2OCOc2cc1[*:1] Cc1cc(/C=C(\C#N)C(=O)NC[*:1])c(C)n1C[C@@H]1CCCO1
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1C[C@@H]1CCCO1 c1cc2OCOc2cc1C[*:1] Cc1cc(/C=C(\C#N)C(=O)N[*:1])c(C)n1C[C@@H]1CCCO1
Cc1cc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)c2ncccc2c1 c1cc(co1)[*:1] Cc1cc(NC(=O)C2CCN(CC2)C(=O)[*:1])c2ncccc2c1
[NH3+]C[C@H](Cc1cccc(F)c1)C[C@H]1COc2ccccc21 Fc1cccc(c1)[*:1] [NH3+]C[C@@H](C[C@H]1COc2ccccc21)C[*:1]
CC1(C)CC(=O)C(/C=N/Cc2ccc(C(=O)O)cc2)=C([O-])C1 O=C(O)[*:1] CC1(C)CC(=O)C(/C=N/Cc2ccc(cc2)[*:1])=C([O-])C1
O=[N+]([O-])c1cc(Cl)ccc1NC(=S)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=[N+]([O-])c1cc(Cl)ccc1NC(=S)N[*:1]
O=[N+]([O-])c1cc(Cl)ccc1NC(=S)NC[C@@H]1CCCO1 O=[N+]([O-])[*:1] S=C(NC[C@@H]1CCCO1)Nc1ccc(Cl)cc1[*:1]
O=[N+]([O-])c1cc(Cl)ccc1NC(=S)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=[N+]([O-])c1cc(Cl)ccc1NC(=S)NC[*:1]
O=C1CN(C(=O)COC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)CCN1 Clc1ccc(c(Cl)c1)[*:1] O=C1CN(CCN1)C(=O)COC(=O)C1(CCOCC1)[*:1]
O=C1CN(C(=O)COC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)CCN1 O=C1CN(CCN1)C(=O)[*:1] O=C(OC[*:1])C1(CCOCC1)c1ccc(Cl)cc1Cl
COc1cccc(N2C[C@H](C(=O)Nc3cccc(-c4c[nH+]c5n4CCC5)c3)CC2=O)c1 COc1cccc(c1)[*:1] O=C(Nc1cccc(c1)-c1c[nH+]c2CCCn12)[C@@H]1CC(=O)N(C1)[*:1]
Fc1ccc(C[NH+]2CCC(Cn3cc[nH+]c3-c3ccccc3)CC2)cc1 Fc1ccc(cc1)[*:1] c1ccc(cc1)-c1[nH+]ccn1CC1CC[NH+](CC1)C[*:1]
Fc1ccc(C[NH+]2CCC(Cn3cc[nH+]c3-c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)C[NH+]1CCC(CC1)Cn1cc[nH+]c1[*:1]
Fc1ccc(C[NH+]2CCC(Cn3cc[nH+]c3-c3ccccc3)CC2)cc1 Fc1ccc(cc1)C[*:1] c1ccc(cc1)-c1[nH+]ccn1CC1CC[NH+](CC1)[*:1]
COc1ccccc1CN1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 COc1ccccc1[*:1] c1cn(CC2CC2)c([nH+]1)[C@H]1CCCN(C1)C[*:1]
COc1ccccc1CN1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 C1CC1[*:1] COc1ccccc1CN1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
COc1ccccc1CN1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 C1CC1C[*:1] COc1ccccc1CN1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
COCCN(CC(F)(F)F)C(=O)c1sc2ccccc2c1C COC[*:1] Cc1c(sc2ccccc12)C(=O)N(CC(F)(F)F)C[*:1]
COCCN(CC(F)(F)F)C(=O)c1sc2ccccc2c1C FC(F)(F)C[*:1] COCCN(C(=O)c1sc2ccccc2c1C)[*:1]
COCCN(CC(F)(F)F)C(=O)c1sc2ccccc2c1C COCC[*:1] Cc1c(sc2ccccc12)C(=O)N(CC(F)(F)F)[*:1]
COCCN(CC(F)(F)F)C(=O)c1sc2ccccc2c1C FC(F)(F)[*:1] COCCN(C[*:1])C(=O)c1sc2ccccc2c1C
C[C@H]1OCC[C@@H]1C(=O)N1CCCc2c(C(N)=O)cccc21 NC(=O)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCCc2c1cccc2[*:1]
Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cccnc2C)C3)cs1 Cc1nc(cs1)[*:1] Cc1ncccc1C(=O)N1CCc2sc(cc2C1)[*:1]
Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cccnc2C)C3)cs1 Cc1ncccc1[*:1] Cc1nc(cs1)-c1cc2CN(CCc2s1)C(=O)[*:1]
CCC[C@@H]1CCC[C@](O)(C2(C#N)CCC2)CC1 CCC[*:1] N#CC1(CCC1)[C@@]1(O)CCC[C@H](CC1)[*:1]
O=C(N[C@@H]1CC=CCC1)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(C[*:1])n1 O=C(N[C@@H]1CC=CCC1)N[C@@H](c1ccccc1)[*:1]
O=C(N[C@@H]1CC=CCC1)N[C@@H](Cn1cncn1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CC=CCC1)N[C@@H](Cn1cncn1)[*:1]
O=C(N[C@@H]1CC=CCC1)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(n1)[*:1] O=C(N[C@@H]1CC=CCC1)N[C@@H](C[*:1])c1ccccc1
Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)c(c1)[*:1]
Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)c([N+](=O)[O-])c1 Cc1ccc(c(c1)[N+](=O)[O-])[*:1] O=C(CSc1ncnc2c1cnn2-c1ccccc1)N[*:1]
Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)CSc2ncnc3c2cnn3[*:1])c(c1)[N+](=O)[O-]
C=CCN(Cc1ccccn1)C(=O)[C@H](C)Oc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] C=CCN(Cc1ccccn1)C(=O)[C@H](C)O[*:1]
C=CCN(Cc1ccccn1)C(=O)[C@H](C)Oc1cc(C)ccc1C c1ccc(C[*:1])nc1 C=CCN(C(=O)[C@H](C)Oc1cc(C)ccc1C)[*:1]
C=CCN(Cc1ccccn1)C(=O)[C@H](C)Oc1cc(C)ccc1C c1ccc(nc1)[*:1] C=CCN(C[*:1])C(=O)[C@H](C)Oc1cc(C)ccc1C
C=CCN(Cc1ccccn1)C(=O)[C@H](C)Oc1cc(C)ccc1C C=CC[*:1] Cc1ccc(C)c(c1)O[C@@H](C)C(=O)N(Cc1ccccn1)[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)Nc1cccc2cccnc12 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)Nc1cccc2cccnc12
NC(=O)COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1 NC(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1F)C(F)(F)F
NC(=O)COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1 NC(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cccc(c1F)C(F)(F)F
NC(=O)COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1cccc(c1F)C(F)(F)F
NC(=O)COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1 FC(F)(F)[*:1] NC(=O)COc1ccc(cc1)NC(=O)c1cccc(c1F)[*:1]
CC(C)n1cc(C(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2c1=O CC(C)[*:1] O=C(Nc1ccc2cc[nH]c2c1)c1cn(c(=O)c2ccccc12)[*:1]
Cc1ccc2c(cnn2CCC(=O)NC2CCSCC2)c1 C1CC(CCS1)[*:1] Cc1ccc2c(cnn2CCC(=O)N[*:1])c1
O=C(CCC(=O)c1ccc(Cl)s1)NCCc1ccccn1 Clc1ccc(s1)[*:1] O=C(CCC(=O)[*:1])NCCc1ccccn1
O=C(CCC(=O)c1ccc(Cl)s1)NCCc1ccccn1 c1ccc(nc1)[*:1] O=C(CCC(=O)c1ccc(Cl)s1)NCC[*:1]
O=C(CCC(=O)c1ccc(Cl)s1)NCCc1ccccn1 c1ccc(C[*:1])nc1 O=C(CCC(=O)c1ccc(Cl)s1)NC[*:1]
CCOc1ccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2cccc(CC)c2)cc1 CCOc1ccc(cc1)[*:1] CCc1cccc(c1)-n1c(=O)c2cccnc2n1CC(=O)N[*:1]
CCOc1ccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2cccc(CC)c2)cc1 CCc1cccc(c1)[*:1] CCOc1ccc(cc1)NC(=O)Cn1c2ncccc2c(=O)n1[*:1]
CCOc1ccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2cccc(CC)c2)cc1 CCO[*:1] CCc1cccc(c1)-n1c(=O)c2cccnc2n1CC(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CSc2ccccc21 c1csc(c1)[*:1] C[C@@H](C[*:1])[NH2+]C[C@@H]1CSc2ccccc21
C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CSc2ccccc21 c1csc(c1)C[*:1] C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)[*:1]
Cc1nc2c(C)cccn2c1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 c1ccc(nc1)[*:1] Cc1nc2c(C)cccn2c1C(=O)N(C[C@@H]1CCCO1)C[*:1]
Cc1nc2c(C)cccn2c1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 c1ccc(C[*:1])nc1 Cc1nc2c(C)cccn2c1C(=O)N(C[C@@H]1CCCO1)[*:1]
COc1ccc2nc(OC3CCN(C(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)CC3)sc2c1 c1ccc(cc1)[*:1] COc1ccc2nc(OC3CCN(CC3)C(=O)[C@@H]3CC(=O)N(C3)[*:1])sc2c1
Cc1ccc(CCNC(=O)c2c(C)nn(CCCl)c2C)c(C)c1 ClCC[*:1] Cc1ccc(CCNC(=O)c2c(C)nn(c2C)[*:1])c(C)c1
CC(C)C[C@@H](C[NH3+])C(=O)NCCc1nncn1C CC(C)C[*:1] Cn1cnnc1CCNC(=O)[C@H](C[NH3+])[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)NCCc1nncn1C CC(C)[*:1] Cn1cnnc1CCNC(=O)[C@H](C[NH3+])C[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)NCCc1nncn1C Cn1cnnc1[*:1] CC(C)C[C@@H](C[NH3+])C(=O)NCC[*:1]
COc1ccc2[nH]cc(CCNC(=O)N(C3CC3)[C@@H](C)c3ccco3)c2c1 c1coc(c1)[*:1] COc1ccc2[nH]cc(CCNC(=O)N(C3CC3)[C@@H](C)[*:1])c2c1
COc1ccc2[nH]cc(CCNC(=O)N(C3CC3)[C@@H](C)c3ccco3)c2c1 C1CC1[*:1] COc1ccc2[nH]cc(CCNC(=O)N([C@@H](C)c3ccco3)[*:1])c2c1
COCCO[C@@H](C)C(=O)N(CC#N)C1CCCC1 C1CCC(C1)[*:1] COCCO[C@@H](C)C(=O)N(CC#N)[*:1]
COCCO[C@@H](C)C(=O)N(CC#N)C1CCCC1 COC[*:1] C[C@H](OC[*:1])C(=O)N(CC#N)C1CCCC1
COCCO[C@@H](C)C(=O)N(CC#N)C1CCCC1 N#CC[*:1] COCCO[C@@H](C)C(=O)N(C1CCCC1)[*:1]
COCCO[C@@H](C)C(=O)N(CC#N)C1CCCC1 COCCO[*:1] C[C@@H](C(=O)N(CC#N)C1CCCC1)[*:1]
COCCO[C@@H](C)C(=O)N(CC#N)C1CCCC1 COCC[*:1] C[C@H](O[*:1])C(=O)N(CC#N)C1CCCC1
COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3C(=O)N2C)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1[C@@H](C(=O)NC[*:1])c2ccccc2C(=O)N1C
COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3C(=O)N2C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(F)cc2)[C@@H]1[*:1]
COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3C(=O)N2C)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@H]1[C@@H](C(=O)N[*:1])c2ccccc2C(=O)N1C
C[C@@H]1C[C@H]([C@@H](C)[NH3+])CC(C)(C)C1 C[C@@H]([NH3+])[*:1] C[C@@H]1C[C@H](CC(C)(C)C1)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1oc2ccccc2c1C O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)COC(=O)c1oc2ccccc2c1C)[*:1]
C[C@@H](Cn1cccn1)OC(=O)C1CCCC1 c1cnn(c1)[*:1] C[C@@H](C[*:1])OC(=O)C1CCCC1
C[C@@H](Cn1cccn1)OC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@@H](Cn1cccn1)OC(=O)[*:1]
CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1 CC(=O)[*:1] CC1=C([C@@H](NC(=O)N1Cc1ccccc1)c1ccccc1)[*:1]
CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)C1=C(C)N(C[*:1])C(=O)N[C@H]1c1ccccc1
CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1 c1ccc(cc1)C[*:1] CC(=O)C1=C(C)N(C(=O)N[C@H]1c1ccccc1)[*:1]
CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1[*:1]
O=C(NCc1noc(Cc2ccccc2)n1)c1cnc(-c2cccnc2)nc1 c1ccc(cc1)[*:1] O=C(NCc1noc(C[*:1])n1)c1cnc(nc1)-c1cccnc1
O=C(NCc1noc(Cc2ccccc2)n1)c1cnc(-c2cccnc2)nc1 c1cncc(c1)[*:1] O=C(NCc1noc(Cc2ccccc2)n1)c1cnc(nc1)[*:1]
O=C(NCc1noc(Cc2ccccc2)n1)c1cnc(-c2cccnc2)nc1 c1ccc(cc1)C[*:1] O=C(NCc1noc(n1)[*:1])c1cnc(nc1)-c1cccnc1
Cc1cc(S(=O)(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)ccc1F Cc1cc(ccc1F)[*:1] CC(C)(C)NC(=O)N1CCC(CC1)CNS(=O)(=O)[*:1]
Cc1cc(S(=O)(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)ccc1F CC(C)(C)[*:1] Cc1cc(ccc1F)S(=O)(=O)NCC1CCN(CC1)C(=O)N[*:1]
Cc1c(NC(=O)c2ccon2)cccc1C(=O)N1CCc2sccc2C1 c1cc(no1)[*:1] Cc1c(cccc1C(=O)N1CCc2sccc2C1)NC(=O)[*:1]
Cc1c(NC(=O)c2ccon2)cccc1C(=O)N1CCc2sccc2C1 O=C(N[*:1])c1ccon1 Cc1c(cccc1[*:1])C(=O)N1CCc2sccc2C1
C[C@@H](CO)[NH2+][C@@H](c1cccs1)C1CC1 C1CC1[*:1] C[C@@H](CO)[NH2+][C@@H](c1cccs1)[*:1]
C[C@@H](CO)[NH2+][C@@H](c1cccs1)C1CC1 C[C@@H](CO)[*:1] c1csc(c1)[C@H]([NH2+][*:1])C1CC1
COC(=O)N[C@@H](C(=O)NNc1cccnc1Cl)C(C)C COC(=O)N[*:1] CC(C)[C@H](C(=O)NNc1cccnc1Cl)[*:1]
COC(=O)N[C@@H](C(=O)NNc1cccnc1Cl)C(C)C CC(C)[*:1] COC(=O)N[C@@H](C(=O)NNc1cccnc1Cl)[*:1]
CC(C)c1nc(COc2ccc(F)cc2Br)cs1 CC(C)[*:1] Fc1ccc(OCc2csc(n2)[*:1])c(Br)c1
CCN(Cc1cccc(NC(=O)c2c(C)nsc2NC)c1)C(C)=O CCN(C[*:1])C(C)=O CNc1snc(C)c1C(=O)Nc1cccc(c1)[*:1]
CCN(Cc1cccc(NC(=O)c2c(C)nsc2NC)c1)C(C)=O CCN(C(C)=O)[*:1] CNc1snc(C)c1C(=O)Nc1cccc(c1)C[*:1]
CCN(Cc1cccc(NC(=O)c2c(C)nsc2NC)c1)C(C)=O CNc1snc(C)c1[*:1] CCN(Cc1cccc(c1)NC(=O)[*:1])C(C)=O
O=C(c1ccccc1O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 Oc1ccccc1[*:1] O=C([C@@H]1CCCN(C1)C(=O)[*:1])N1CCOCC1
CC(C)c1cccc(C(C)C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl CC(C)[*:1] CC(C)c1cccc(c1NC(=O)c1cc(ccc1Cl)[N+](=O)[O-])[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CC(C)c1cccc(c1NC(=O)c1cc(ccc1Cl)[*:1])C(C)C
O=C([O-])c1ccc(S(=O)(=O)NCc2ccn[nH]2)c(F)c1 c1cc([nH]n1)[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)NC[*:1]
O=C([O-])c1ccc(S(=O)(=O)NCc2ccn[nH]2)c(F)c1 c1cc(C[*:1])[nH]n1 O=C([O-])c1ccc(c(F)c1)S(=O)(=O)N[*:1]
O=C([O-])c1ccc(S(=O)(=O)NCc2ccn[nH]2)c(F)c1 O=C([O-])[*:1] O=S(=O)(NCc1ccn[nH]1)c1ccc(cc1F)[*:1]
CC[C@@H](C)N1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1OCC(C)C CC[C@@H](C)[*:1] CC(C)COc1ccccc1[C@]1(C)Nc2ccccc2C(=O)N1[*:1]
CC[C@@H](C)N1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1OCC(C)C CC(C)[*:1] CC[C@@H](C)N1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1OC[*:1]
CC[C@@H](C)N1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1OCC(C)C CC(C)C[*:1] CC[C@@H](C)N1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1O[*:1]
CC[C@@H](C)N1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1OCC(C)C CC(C)CO[*:1] CC[C@@H](C)N1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1[*:1]
O[C@H](C[C@H]1COCCN1Cc1ccc(Cl)c(F)c1)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](C[C@H]1COCCN1Cc1ccc(Cl)c(F)c1)[*:1]
O[C@H](C[C@H]1COCCN1Cc1ccc(Cl)c(F)c1)c1ccccc1 Fc1cc(ccc1Cl)[*:1] O[C@H](C[C@H]1COCCN1C[*:1])c1ccccc1
O[C@H](C[C@H]1COCCN1Cc1ccc(Cl)c(F)c1)c1ccccc1 O[C@H](c1ccccc1)[*:1] Fc1cc(ccc1Cl)CN1CCOC[C@@H]1C[*:1]
COc1ccc(CNC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)cc1 COc1ccc(cc1)C[*:1] Cc1nc(SCC(=O)N[*:1])c2c3CC[C@@H](C)Cc3sc2n1
COc1ccc(CNC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)cc1 COc1ccc(cc1)[*:1] Cc1nc(SCC(=O)NC[*:1])c2c3CC[C@@H](C)Cc3sc2n1
CNC(=O)Nc1cccc(NC(=O)C[C@@H](C)CCc2ccccc2)c1 c1ccc(cc1)C[*:1] CNC(=O)Nc1cccc(c1)NC(=O)C[C@@H](C)C[*:1]
CNC(=O)Nc1cccc(NC(=O)C[C@@H](C)CCc2ccccc2)c1 CNC(=O)N[*:1] C[C@@H](CCc1ccccc1)CC(=O)Nc1cccc(c1)[*:1]
CNC(=O)Nc1cccc(NC(=O)C[C@@H](C)CCc2ccccc2)c1 c1ccc(cc1)CC[*:1] CNC(=O)Nc1cccc(c1)NC(=O)C[C@@H](C)[*:1]
CNC(=O)Nc1cccc(NC(=O)C[C@@H](C)CCc2ccccc2)c1 c1ccc(cc1)[*:1] CNC(=O)Nc1cccc(c1)NC(=O)C[C@@H](C)CC[*:1]
Cc1nc(C(=O)NCCOc2ccccc2)nn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(nn1[*:1])C(=O)NCCOc1ccccc1
Cc1nc(C(=O)NCCOc2ccccc2)nn1-c1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)NCCO[*:1]
Cc1nc(C(=O)NCCOc2ccccc2)nn1-c1ccc(F)cc1 c1ccc(cc1)OC[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)NC[*:1]
Cc1nc(C(=O)NCCOc2ccccc2)nn1-c1ccc(F)cc1 c1ccc(cc1)O[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)NCC[*:1]
CN1CCO[C@@H](C(=O)NC[C@@](C)(O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CN1CCO[C@H](C1)C(=O)NC[C@@](C)(O)[*:1]
CN1CCO[C@@H](C(=O)NC[C@@](C)(O)c2ccc(F)cc2)C1 CN1CCO[C@@H](C1)[*:1] C[C@@](O)(CNC(=O)[*:1])c1ccc(F)cc1
CC[C@H](CCO)CNC(=O)Cc1ccc(F)cc1F CC[C@H](CCO)[*:1] O=C(Cc1ccc(F)cc1F)NC[*:1]
CC[C@H](CCO)CNC(=O)Cc1ccc(F)cc1F OCC[*:1] CC[C@H](CNC(=O)Cc1ccc(F)cc1F)[*:1]
CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)N[*:1]
COc1cccc(C[C@H](C(=O)Nc2ccccc2C)c2nnn[n-]2)c1OC Cc1ccccc1[*:1] COc1cccc(C[C@H](C(=O)N[*:1])c2nnn[n-]2)c1OC
CCOc1ccc(N(CCC#N)C(=O)c2cc(C#N)cs2)cc1 N#Cc1csc(c1)[*:1] CCOc1ccc(cc1)N(CCC#N)C(=O)[*:1]
CCOc1ccc(N(CCC#N)C(=O)c2cc(C#N)cs2)cc1 N#CCC[*:1] CCOc1ccc(cc1)N(C(=O)c1cc(C#N)cs1)[*:1]
CCOc1ccc(N(CCC#N)C(=O)c2cc(C#N)cs2)cc1 N#CC[*:1] CCOc1ccc(cc1)N(C[*:1])C(=O)c1cc(C#N)cs1
CCOc1ccc(N(CCC#N)C(=O)c2cc(C#N)cs2)cc1 CCO[*:1] N#CCCN(C(=O)c1cc(C#N)cs1)c1ccc(cc1)[*:1]
CCC(C)(C)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 CCC(C)(C)[*:1] O=S(=O)(NCc1cccnc1)c1ccc(cc1)[*:1]
CCC(C)(C)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 c1cncc(c1)[*:1] CCC(C)(C)c1ccc(cc1)S(=O)(=O)NC[*:1]
CCC(C)(C)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 c1cncc(c1)C[*:1] CCC(C)(C)c1ccc(cc1)S(=O)(=O)N[*:1]
C[C@@H](CNC(=O)[C@H](C)Sc1ccccn1)Sc1ccccc1 c1ccc(cc1)S[*:1] C[C@H](Sc1ccccn1)C(=O)NC[C@H](C)[*:1]
C[C@@H](CNC(=O)[C@H](C)Sc1ccccn1)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@H](C)Sc1ccccn1)S[*:1]
C[C@@H](CNC(=O)[C@H](C)Sc1ccccn1)Sc1ccccc1 c1ccc(nc1)S[*:1] C[C@@H](CNC(=O)[C@H](C)[*:1])Sc1ccccc1
C[C@@H](CNC(=O)[C@H](C)Sc1ccccn1)Sc1ccccc1 c1ccc(nc1)[*:1] C[C@@H](CNC(=O)[C@H](C)S[*:1])Sc1ccccc1
COCCOC(=O)C1=C(C)N[C@H]2CC=CC(=O)[C@@H]2[C@@H]1c1ccc(Cl)cc1 COCCOC(=O)[*:1] CC1N[C@H]2CC=CC(=O)[C@@H]2[C@@H](C=1[*:1])c1ccc(Cl)cc1
COCCOC(=O)C1=C(C)N[C@H]2CC=CC(=O)[C@@H]2[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCOC(=O)C1=C(C)N[C@H]2CC=CC(=O)[C@@H]2[C@H]1[*:1]
COCCOC(=O)C1=C(C)N[C@H]2CC=CC(=O)[C@@H]2[C@@H]1c1ccc(Cl)cc1 COCC[*:1] CC1N[C@H]2CC=CC(=O)[C@@H]2[C@@H](C=1C(=O)O[*:1])c1ccc(Cl)cc1
COCCOC(=O)C1=C(C)N[C@H]2CC=CC(=O)[C@@H]2[C@@H]1c1ccc(Cl)cc1 COC[*:1] CC1N[C@H]2CC=CC(=O)[C@@H]2[C@@H](C=1C(=O)OC[*:1])c1ccc(Cl)cc1
COc1cccc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2Cl)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C[NH2+]Cc1c(C)nn(c1Cl)[*:1]
COc1cccc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2Cl)c1 COc1cccc(c1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[*:1]
CCOC(=O)[C@H](C)c1nc2ccccc2n1C(C)C CC(C)[*:1] CCOC(=O)[C@H](C)c1nc2ccccc2n1[*:1]
CCOC(=O)[C@H](C)c1nc2ccccc2n1C(C)C CCOC(=O)[*:1] CC(C)n1c(nc2ccccc21)[C@@H](C)[*:1]
CN(C(=O)C1(c2ccccc2F)CC1)C1CCS(=O)CC1 Fc1ccccc1[*:1] CN(C(=O)C1(CC1)[*:1])C1CCS(=O)CC1
Cc1cccc(NC(=O)c2c[nH]nc2-c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1cccc(c1)NC(=O)c1c[nH]nc1[*:1]
Cc1cccc(NC(=O)c2c[nH]nc2-c2ccccc2F)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])c1c[nH]nc1-c1ccccc1F
Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)COc2ccc(C#N)cc2)C1 N#Cc1ccc(cc1)[*:1] Cc1[nH+]ccn1[C@@H]1CCCN(C1)C(=O)CO[*:1]
C[C@@H](O)C[C@@H]1CCCCN1C(=O)CC1CCCCC1 C[C@@H](O)[*:1] O=C(CC1CCCCC1)N1CCCC[C@H]1C[*:1]
C[C@@H](O)C[C@@H]1CCCCN1C(=O)CC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](O)C[C@@H]1CCCCN1C(=O)C[*:1]
C[C@@H](O)C[C@@H]1CCCCN1C(=O)CC1CCCCC1 C[C@@H](O)C[*:1] O=C(CC1CCCCC1)N1CCCC[C@H]1[*:1]
CC[C@@H]1CCCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 O=[N+]([O-])[*:1] CC[C@@H]1CCCN(C1)C(=O)NCc1ccc(cc1)[*:1]
COc1ccccc1[C@@H]1C[C@H]1C(=O)NCCc1nnc(-c2ccccc2)o1 COc1ccccc1[*:1] O=C(NCCc1nnc(o1)-c1ccccc1)[C@@H]1C[C@H]1[*:1]
COc1ccccc1[C@@H]1C[C@H]1C(=O)NCCc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] COc1ccccc1[C@@H]1C[C@H]1C(=O)NCCc1nnc(o1)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@@H](C)Nc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)[C@@H](C)N[*:1]
CC(=O)Nc1cccc(NC(=O)[C@@H](C)Nc2cccc(C)c2)c1 CC(=O)N[*:1] Cc1cccc(c1)N[C@H](C)C(=O)Nc1cccc(c1)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N1CCCCCC1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1CCCCCC1
Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@@H](C)n1nc(-c2ccco2)ccc1=O Fc1ccccc1[*:1] Cc1nc(sc1CNC(=O)[C@@H](C)n1nc(ccc1=O)-c1ccco1)[*:1]
Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@@H](C)n1nc(-c2ccco2)ccc1=O c1coc(c1)[*:1] Cc1nc(sc1CNC(=O)[C@@H](C)n1nc(ccc1=O)[*:1])-c1ccccc1F
CCOc1ncccc1CNC(=O)c1csc(-c2ccsc2)n1 CCO[*:1] O=C(NCc1cccnc1[*:1])c1csc(n1)-c1ccsc1
CCOc1ncccc1CNC(=O)c1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] CCOc1ncccc1CNC(=O)c1csc(n1)[*:1]
CC(C)N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C CC(C)[*:1] CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccc(Cl)cc1Cl)[*:1]
CC(C)N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C Clc1ccc(C[*:1])c(Cl)c1 CC(C)N(C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)[*:1]
CC(C)N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C Clc1ccc(c(Cl)c1)[*:1] CC(C)N(C[*:1])C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
CC(C)N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCCN1C(=O)O[*:1]
Cc1cccc(-c2cccc(C(=O)[O-])c2)c1 O=C([O-])[*:1] Cc1cccc(c1)-c1cccc(c1)[*:1]
O=S1(=O)C[C@H](O)[C@@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 c1csc(c1)[*:1] O=S1(=O)C[C@H](O)[C@H](C1)NC[C@@H]([NH+]1CCCC1)[*:1]
CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl Fc1ccccc1[*:1] CCn1c(nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl O=C(C[*:1])Nc1ccccc1F CCn1c(nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl)S[*:1]
CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl O=C(Nc1ccccc1F)[*:1] CCn1c(nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl)SC[*:1]
CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl Clc1ccccc1[*:1] CCn1c(nnc1[C@@H]1CCCN1C(=O)[*:1])SCC(=O)Nc1ccccc1F
C[C@H](Cc1cccs1)N(C)CC[NH2+]C1CCCCCC1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)CC[NH2+]C1CCCCCC1
C[C@H](Cc1cccs1)N(C)CC[NH2+]C1CCCCCC1 c1csc(c1)C[*:1] C[C@H](N(C)CC[NH2+]C1CCCCCC1)[*:1]
Cc1ccc(OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] Cc1ccc(OCC(=O)N2c3ccc(cc3C[C@@H]2C)S(N)(=O)=O)c(c1)[*:1]
Cc1ccc(OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c(S(=O)(=O)N(C)C)c1 NS(=O)(=O)[*:1] Cc1ccc(OCC(=O)N2c3ccc(cc3C[C@@H]2C)[*:1])c(c1)S(=O)(=O)N(C)C
CCCNC(=O)[C@H](C)[S@@](=O)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCCNC(=O)[C@H](C)[S@@](=O)Cc1coc(n1)[*:1]
CCCNC(=O)[C@H](C)[S@@](=O)Cc1coc(-c2ccccc2)n1 CCC[*:1] C[C@@H](C(=O)N[*:1])[S@@](=O)Cc1coc(n1)-c1ccccc1
CCCNC(=O)[C@H](C)[S@@](=O)Cc1coc(-c2ccccc2)n1 CCCNC(=O)[*:1] C[C@H]([S@@](=O)Cc1coc(n1)-c1ccccc1)[*:1]
O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H]1c1nc(C2CC2)no1 C1CC1[*:1] O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H]1c1nc(no1)[*:1]
O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H]1c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] O=C([C@H]1COc2ccccc2O1)N1CCC[C@H]1[*:1]
O=C(NC1CC1)N[C@@H](CCO)C1CCCCC1 OCC[*:1] O=C(NC1CC1)N[C@@H](C1CCCCC1)[*:1]
O=C(NC1CC1)N[C@@H](CCO)C1CCCCC1 C1CC1[*:1] O=C(N[C@@H](CCO)C1CCCCC1)N[*:1]
CCc1ccc(C[NH+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 CCc1ccc(cc1)[*:1] Cc1nc(C#N)c(o1)N1CCN(CC1)C(=O)C[NH+](C)C[*:1]
CCc1ccc(C[NH+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 Cc1nc(C#N)c(o1)[*:1] CCc1ccc(cc1)C[NH+](C)CC(=O)N1CCN(CC1)[*:1]
CCc1ccc(C[NH+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 CCc1ccc(cc1)C[*:1] Cc1nc(C#N)c(o1)N1CCN(CC1)C(=O)C[NH+](C)[*:1]
O=C(NCCOCC(F)(F)F)N1CCC[C@@H](O)C1 FC(F)(F)CO[*:1] O=C(NCC[*:1])N1CCC[C@@H](O)C1
O=C(NCCOCC(F)(F)F)N1CCC[C@@H](O)C1 FC(F)(F)[*:1] O=C(NCCOC[*:1])N1CCC[C@@H](O)C1
O=C(NCCOCC(F)(F)F)N1CCC[C@@H](O)C1 FC(F)(F)C[*:1] O=C(NCCO[*:1])N1CCC[C@@H](O)C1
O=C(NC(C1CC1)C1CC1)N[C@H]1CCCCC[C@H]1C(=O)[O-] C1CC1[*:1] O=C(NC(C1CC1)[*:1])N[C@H]1CCCCC[C@H]1C(=O)[O-]
O=C(NC(C1CC1)C1CC1)N[C@H]1CCCCC[C@H]1C(=O)[O-] C1CC1C(C1CC1)[*:1] O=C(N[C@H]1CCCCC[C@H]1C(=O)[O-])N[*:1]
O=C(NC(C1CC1)C1CC1)N[C@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(NC(C1CC1)C1CC1)N[C@H]1CCCCC[C@@H]1[*:1]
CCCc1c(/C([O-])=N/S(=O)(=O)c2ccc(F)cc2)[nH]c(C)c1C(C)=O Fc1ccc(cc1)[*:1] CCCc1c([nH]c(C)c1C(C)=O)/C([O-])=N/S(=O)(=O)[*:1]
CCCc1c(/C([O-])=N/S(=O)(=O)c2ccc(F)cc2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCCc1c([nH]c(C)c1[*:1])/C([O-])=N/S(=O)(=O)c1ccc(F)cc1
CCCc1c(/C([O-])=N/S(=O)(=O)c2ccc(F)cc2)[nH]c(C)c1C(C)=O CCC[*:1] CC(=O)c1c(C)[nH]c(/C([O-])=N/S(=O)(=O)c2ccc(F)cc2)c1[*:1]
CCCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)c4nc5ccccc5[nH]4)cc3)nc2s1 c1ccc2[nH]c(nc2c1)[*:1] CCCc1nn2c(=O)cc(COc3ccc(C=C(C#N)[*:1])cc3)nc2s1
CCCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)c4nc5ccccc5[nH]4)cc3)nc2s1 CCC[*:1] N#C/C(=C\c1ccc(cc1)OCc1cc(=O)n2nc(sc2n1)[*:1])c1nc2ccccc2[nH]1
CC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1 CC(C)NC(=O)C[*:1] O=S(=O)(c1cccc(Cl)c1)N(Cc1ccccc1)[*:1]
CC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1 c1ccc(cc1)C[*:1] CC(C)NC(=O)CN(S(=O)(=O)c1cccc(Cl)c1)[*:1]
CC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)[*:1]
CC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1 CC(C)[*:1] O=C(CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1)N[*:1]
CC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1 c1ccc(cc1)[*:1] CC(C)NC(=O)CN(C[*:1])S(=O)(=O)c1cccc(Cl)c1
CC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1 CC(C)NC(=O)[*:1] O=S(=O)(c1cccc(Cl)c1)N(Cc1ccccc1)C[*:1]
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)CC[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C2=O)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C2=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)C[*:1])C1=O
COc1ccc(C2=CC[NH+](Cc3nc(C4CC4)no3)CC2)cc1 C1CC1[*:1] COc1ccc(cc1)C1=CC[NH+](CC1)Cc1nc(no1)[*:1]
Cc1cc(CNC(=O)CN2CCN(c3nccs3)CC2)ccc1F c1csc(n1)[*:1] Cc1cc(ccc1F)CNC(=O)CN1CCN(CC1)[*:1]
Cc1cc(CNC(=O)CN2CCN(c3nccs3)CC2)ccc1F Cc1cc(ccc1F)[*:1] O=C(CN1CCN(CC1)c1nccs1)NC[*:1]
CSCC[C@H]1NC(=S)N(CCCn2cnc3ccccc32)C1=O CSC[*:1] O=C1[C@@H](C[*:1])NC(=S)N1CCCn1cnc2ccccc21
CSCC[C@H]1NC(=S)N(CCCn2cnc3ccccc32)C1=O CSCC[*:1] O=C1[C@H](NC(=S)N1CCCn1cnc2ccccc21)[*:1]
Cc1ccc(N2CCN(CC(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)CN1CCN(C1=O)[*:1]
Cc1ccc(N2CCN(CC(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)N1CCN(CC(=O)Nc2ccc(cc2)[*:1])C1=O
Cc1c(Cl)cccc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)C[C@@](C)(C(=O)[O-])[*:1]
Cc1c(Cl)cccc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] Cc1c(Cl)cccc1NC(=O)C[C@@](C)(c1ccccc1)[*:1]
COc1ccccc1-c1nc2c3c(C)c(C)n(Cc4cccnc4)c3ncn2n1 c1cncc(c1)C[*:1] COc1ccccc1-c1nc2c3c(C)c(C)n(c3ncn2n1)[*:1]
COc1ccccc1-c1nc2c3c(C)c(C)n(Cc4cccnc4)c3ncn2n1 c1cncc(c1)[*:1] COc1ccccc1-c1nc2c3c(C)c(C)n(C[*:1])c3ncn2n1
COc1ccccc1-c1nc2c3c(C)c(C)n(Cc4cccnc4)c3ncn2n1 COc1ccccc1[*:1] Cc1c(C)n(Cc2cccnc2)c2ncn3nc(nc3c12)[*:1]
N#Cc1ccc(N2CCC(Nc3ncnc4nc(N)ccc34)CC2)cc1 N#Cc1ccc(cc1)[*:1] Nc1ccc2c(ncnc2n1)NC1CCN(CC1)[*:1]
Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1F)C[S@@](=O)C2 Fc1ccccc1[*:1] Cc1ccccc1-n1nc2C[S@](=O)Cc2c1NC(=O)[*:1]
Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1F)C[S@@](=O)C2 Cc1ccccc1[*:1] O=C(Nc1c2C[S@@](=O)Cc2nn1[*:1])c1ccccc1F
CC(=O)c1ccc(Nc2ncnc3ccc(Br)cc23)cc1 CC(=O)[*:1] Brc1ccc2ncnc(Nc3ccc(cc3)[*:1])c2c1
C[C@H]([NH2+]Cc1ccon1)c1ccc(F)cc1 c1cc(no1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(F)cc1
O=C(COc1ccccc1F)N1CCCSC[C@@H]1C[NH+]1CCCCC1 Fc1ccccc1[*:1] O=C(CO[*:1])N1CCCSC[C@@H]1C[NH+]1CCCCC1
O=C(COc1ccccc1F)N1CCCSC[C@@H]1C[NH+]1CCCCC1 Fc1ccccc1O[*:1] O=C(C[*:1])N1CCCSC[C@@H]1C[NH+]1CCCCC1
C[NH+](C)[C@@H](CNC(=O)CCc1ccc(Cl)s1)c1ccc(Cl)cc1 Clc1ccc(s1)[*:1] C[NH+](C)[C@@H](CNC(=O)CC[*:1])c1ccc(Cl)cc1
C[NH+](C)[C@@H](CNC(=O)CCc1ccc(Cl)s1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)CCc1ccc(Cl)s1)[*:1]
C[NH+](C)[C@@H](CNC(=O)CCc1ccc(Cl)s1)c1ccc(Cl)cc1 Clc1ccc(C[*:1])s1 C[NH+](C)[C@@H](CNC(=O)C[*:1])c1ccc(Cl)cc1
CC(C)NC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 c1ccc(cc1)C[*:1] CC(C)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC(C)NC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 CC(C)[*:1] O=C(NCc1ccccc1)[C@@H]1CCCN(C1)C(=O)N[*:1]
CC(C)NC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)NC(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
C[C@H](CO[C@@H]1CCOC1)Nc1cc(-n2cccn2)nc(N)n1 C1C[C@H](CO1)O[*:1] C[C@H](C[*:1])Nc1cc(nc(N)n1)-n1cccn1
C[C@H](CO[C@@H]1CCOC1)Nc1cc(-n2cccn2)nc(N)n1 c1cnn(c1)[*:1] C[C@H](CO[C@@H]1CCOC1)Nc1cc(nc(N)n1)[*:1]
C[C@H](CO[C@@H]1CCOC1)Nc1cc(-n2cccn2)nc(N)n1 C1C[C@H](CO1)[*:1] C[C@H](CO[*:1])Nc1cc(nc(N)n1)-n1cccn1
C[C@H](CO[C@@H]1CCOC1)Nc1cc(-n2cccn2)nc(N)n1 C1C[C@H](CO1)OC[*:1] C[C@H](Nc1cc(nc(N)n1)-n1cccn1)[*:1]
CCCN1C(=O)[C@H]2CCCCN2C(=O)[C@H]1C(C)C CC(C)[*:1] CCCN1C(=O)[C@H]2CCCCN2C(=O)[C@@H]1[*:1]
CCCN1C(=O)[C@H]2CCCCN2C(=O)[C@H]1C(C)C CCC[*:1] CC(C)[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1[*:1]
Cc1ccc(Sc2c(C(=O)NCc3cccnc3)[nH]c3ccccc23)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)Sc1c([nH]c2ccccc12)C(=O)NC[*:1]
Cc1ccc(Sc2c(C(=O)NCc3cccnc3)[nH]c3ccccc23)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)Sc1c([nH]c2ccccc12)C(=O)N[*:1]
Cc1ccc(Sc2c(C(=O)NCc3cccnc3)[nH]c3ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1[nH]c2ccccc2c1S[*:1]
Cc1ccc(Sc2c(C(=O)NCc3cccnc3)[nH]c3ccccc23)cc1 Cc1ccc(cc1)S[*:1] O=C(NCc1cccnc1)c1[nH]c2ccccc2c1[*:1]
O=C(NCCc1cccs1)C(=O)Nc1c(F)cccc1F c1csc(c1)C[*:1] O=C(NC[*:1])C(=O)Nc1c(F)cccc1F
O=C(NCCc1cccs1)C(=O)Nc1c(F)cccc1F c1csc(c1)CC[*:1] O=C(Nc1c(F)cccc1F)C(=O)N[*:1]
O=C(NCCc1cccs1)C(=O)Nc1c(F)cccc1F c1csc(c1)[*:1] O=C(NCC[*:1])C(=O)Nc1c(F)cccc1F
C[C@H]1C[C@H](N2CCOC[C@@H]2C(=O)[O-])CS1 O=C([O-])[*:1] C[C@H]1C[C@@H](CS1)N1CCOC[C@H]1[*:1]
Cc1c([C@@H](C)[NH2+]CCN2CCCS2(=O)=O)oc2ccccc12 O=S1(=O)CCCN1[*:1] Cc1c(oc2ccccc12)[C@@H](C)[NH2+]CC[*:1]
CCOC(=O)c1c(NC(=O)c2cccc(NC(C)=O)c2)sc(C)c1C CC(=O)N[*:1] CCOC(=O)c1c(NC(=O)c2cccc(c2)[*:1])sc(C)c1C
CCOC(=O)c1c(NC(=O)c2cccc(NC(C)=O)c2)sc(C)c1C CCOC(=O)[*:1] CC(=O)Nc1cccc(c1)C(=O)Nc1sc(C)c(C)c1[*:1]
C[NH+](Cc1ccccc1)CC1CCN(Cc2cnc(C3CC3)s2)CC1 c1nc(sc1[*:1])C1CC1 C[NH+](Cc1ccccc1)CC1CCN(CC1)C[*:1]
C[NH+](Cc1ccccc1)CC1CCN(Cc2cnc(C3CC3)s2)CC1 C1CC1[*:1] C[NH+](Cc1ccccc1)CC1CCN(CC1)Cc1cnc(s1)[*:1]
C[NH+](Cc1ccccc1)CC1CCN(Cc2cnc(C3CC3)s2)CC1 c1ccc(cc1)C[*:1] C[NH+](CC1CCN(CC1)Cc1cnc(s1)C1CC1)[*:1]
C[NH+](Cc1ccccc1)CC1CCN(Cc2cnc(C3CC3)s2)CC1 c1ccc(cc1)[*:1] C[NH+](CC1CCN(CC1)Cc1cnc(s1)C1CC1)C[*:1]
CCCN(CC(=O)NC)C(=O)[C@@H](C)CSC CSC[C@H](C)[*:1] CCCN(CC(=O)NC)C(=O)[*:1]
CCCN(CC(=O)NC)C(=O)[C@@H](C)CSC CCC[*:1] CNC(=O)CN(C(=O)[C@@H](C)CSC)[*:1]
CCCN(CC(=O)NC)C(=O)[C@@H](C)CSC CNC(=O)C[*:1] CCCN(C(=O)[C@@H](C)CSC)[*:1]
CCCN(CC(=O)NC)C(=O)[C@@H](C)CSC CNC(=O)[*:1] CCCN(C[*:1])C(=O)[C@@H](C)CSC
CCCN(CC(=O)NC)C(=O)[C@@H](C)CSC CSC[*:1] CCCN(CC(=O)NC)C(=O)[C@@H](C)[*:1]
CC1CC[NH+](CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)CC1 C1CCN(C1)[*:1] CC1CC[NH+](CC1)CC(=O)Nc1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1
CC1CC[NH+](CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)CC1 O=S(=O)(N1CCOCC1)[*:1] CC1CC[NH+](CC1)CC(=O)Nc1cc(ccc1N1CCCC1)[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](N2CCO[C@H](c3ccccc3F)C2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H](C1)N1CCO[C@@H](C1)c1ccccc1F
CC(C)(C)OC(=O)N1CC[C@@H](N2CCO[C@H](c3ccccc3F)C2)C1 Fc1ccccc1[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)N1CCO[C@H](C1)[*:1]
CC(C)(C)NC(=O)NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O CC(C)(C)[*:1] O=C(CN1C(=O)C(=O)N(C1=O)C1CCCC1)NC(=O)N[*:1]
CC(C)(C)NC(=O)NC(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O C1CCC(C1)[*:1] CC(C)(C)NC(=O)NC(=O)CN1C(=O)C(=O)N(C1=O)[*:1]
COCC[C@H](C)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] COCC[C@H](C)NC(=O)N1CCC[C@H]1C[C@H](O)[*:1]
COCC[C@H](C)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 COCC[C@H](C)[*:1] O=C(N[*:1])N1CCC[C@H]1C[C@H](O)c1ccccc1
COCC[C@H](C)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 COC[*:1] C[C@@H](C[*:1])NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1
COCC[C@H](C)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 COCC[*:1] C[C@H](NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1)[*:1]
COc1ccc(NC(=O)NC[C@H](O)C2CCCCC2)c(OC)c1 C1CCC(CC1)[*:1] COc1ccc(NC(=O)NC[C@H](O)[*:1])c(c1)OC
COC(=O)CCn1c(=O)oc2ccccc21 COC(=O)[*:1] O=c1oc2ccccc2n1CC[*:1]
COC(=O)CCn1c(=O)oc2ccccc21 COC(=O)C[*:1] O=c1oc2ccccc2n1C[*:1]
CC[C@@H](C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O)c1ccccc1 CC[C@@H](c1ccccc1)[*:1] Cn1c(nn(CCNC(=O)[*:1])c1=O)-c1ccccn1
CC[C@@H](C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O)c1ccccc1 c1ccc(nc1)[*:1] CC[C@@H](C(=O)NCCn1nc(n(C)c1=O)[*:1])c1ccccc1
CC[C@@H](C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O)[*:1]
O=C(NCCCn1ccnc1)Nc1c[nH]c2ccccc12 c1cn(cn1)C[*:1] O=C(NCC[*:1])Nc1c[nH]c2ccccc12
O=C(NCCCn1ccnc1)Nc1c[nH]c2ccccc12 c1cn(cn1)CC[*:1] O=C(NC[*:1])Nc1c[nH]c2ccccc12
O=C(NCCCn1ccnc1)Nc1c[nH]c2ccccc12 c1cn(cn1)[*:1] O=C(NCCC[*:1])Nc1c[nH]c2ccccc12
Cn1c(=O)[nH]cc(CC(=O)N2CCCN(c3ccc(F)cc3)CC2)c1=O Fc1ccc(cc1)[*:1] Cn1c(=O)[nH]cc(CC(=O)N2CCCN(CC2)[*:1])c1=O
CC1CC(NC(=O)c2oc3ccccc3c2CS(C)(=O)=O)C1 CC1CC(C1)[*:1] CS(=O)(=O)Cc1c(oc2ccccc12)C(=O)N[*:1]
CC1CC(NC(=O)c2oc3ccccc3c2CS(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC1CC(C1)NC(=O)c1oc2ccccc2c1C[*:1]
CC1CC(NC(=O)c2oc3ccccc3c2CS(C)(=O)=O)C1 CS(=O)(=O)C[*:1] CC1CC(C1)NC(=O)c1oc2ccccc2c1[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)c1cnc([C@@H]2CCCO2)s1 c1cc(cs1)C[*:1] C[C@H](N(C)C(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)c1cnc([C@@H]2CCCO2)s1 c1cc(cs1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1cnc(s1)[C@@H]1CCCO1
C[C@H](Cc1ccsc1)N(C)C(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)c1cnc(s1)[*:1]
COc1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1OC c1csc(c1)[*:1] COc1cccc(C(=O)Nc2cccc(C#C[*:1])c2)c1OC
COc1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1OC C(#C[*:1])c1cccs1 COc1cccc(C(=O)Nc2cccc(c2)[*:1])c1OC
Cc1cccc(OCC(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)NCCn1c(nc2cccnc21)[*:1]
Cc1cccc(OCC(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])NCCn1c(nc2cccnc21)-c1ccc(F)cc1
Cc1cccc(OCC(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])NCCn1c(nc2cccnc21)-c1ccc(F)cc1
Cc1cccc(OCC(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)c1 Cc1cccc(c1)OC[*:1] O=C(NCCn1c(nc2cccnc21)-c1ccc(F)cc1)[*:1]
O=C1C[C@@H](c2ccc(O)cc2)c2cnn(-c3cccc(Cl)c3)c2N1 Oc1ccc(cc1)[*:1] O=C1C[C@@H](c2cnn(-c3cccc(Cl)c3)c2N1)[*:1]
O=C1C[C@@H](c2ccc(O)cc2)c2cnn(-c3cccc(Cl)c3)c2N1 Clc1cccc(c1)[*:1] O=C1C[C@@H](c2ccc(O)cc2)c2cnn(c2N1)[*:1]
CCc1cccc(S(=O)(=O)Oc2cccc(NC(C)=O)c2)c1 CC(=O)N[*:1] CCc1cccc(c1)S(=O)(=O)Oc1cccc(c1)[*:1]
CC(C)n1cnnc1[S@@](=O)Cc1ccc(Cl)cc1Cl CC(C)[*:1] O=[S@@](Cc1ccc(Cl)cc1Cl)c1nncn1[*:1]
COc1ccc(C(=O)N2CCC[NH+](CC(=O)N(C)C)CC2)cn1 CN(C)C(=O)C[*:1] COc1ccc(cn1)C(=O)N1CCC[NH+](CC1)[*:1]
COc1ccc(C(=O)N2CCC[NH+](CC(=O)N(C)C)CC2)cn1 CN(C)C(=O)[*:1] COc1ccc(cn1)C(=O)N1CCC[NH+](CC1)C[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CO)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CO)c1ccco1 Clc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N[C@H](CO)c1ccco1
CNC(=O)CN1CCN(CC(=O)Nc2cc(C)on2)CC1 CNC(=O)C[*:1] Cc1cc(no1)NC(=O)CN1CCN(CC1)[*:1]
CNC(=O)CN1CCN(CC(=O)Nc2cc(C)on2)CC1 CNC(=O)[*:1] Cc1cc(no1)NC(=O)CN1CCN(CC1)C[*:1]
CNC(=O)CN1CCN(CC(=O)Nc2cc(C)on2)CC1 Cc1cc(no1)[*:1] CNC(=O)CN1CCN(CC1)CC(=O)N[*:1]
Cc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccccc1C[NH+](C)C Cc1cc(Cl)ccc1[*:1] C[NH+](C)Cc1ccccc1CNC(=O)C(=O)N[*:1]
CC(C)(C)OC(=O)N1C[C@@H](c2cccc(Cl)c2)CC[C@H]1C(=O)[O-] Clc1cccc(c1)[*:1] CC(C)(C)OC(=O)N1C[C@@H](CC[C@H]1C(=O)[O-])[*:1]
CC(C)(C)OC(=O)N1C[C@@H](c2cccc(Cl)c2)CC[C@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@@H]1CC[C@@H](CN1C(=O)O[*:1])c1cccc(Cl)c1
CC(C)(C)OC(=O)N1C[C@@H](c2cccc(Cl)c2)CC[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N1C[C@H](CC[C@@H]1[*:1])c1cccc(Cl)c1
C#CCN1CCN(C(=O)CNc2cccc(C(=O)NCCO)c2C)CC1 OCC[*:1] C#CCN1CCN(CC1)C(=O)CNc1cccc(C(=O)N[*:1])c1C
C#CCN1CCN(C(=O)CNc2cccc(C(=O)NCCO)c2C)CC1 O=C(NCCO)[*:1] C#CCN1CCN(CC1)C(=O)CNc1cccc(c1C)[*:1]
C#CCN1CCN(C(=O)CNc2cccc(C(=O)NCCO)c2C)CC1 C#CC[*:1] Cc1c(cccc1C(=O)NCCO)NCC(=O)N1CCN(CC1)[*:1]
COc1ccc(C=O)c(OCC(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1ccc(C=O)c(c1)OCC(=O)N[C@H]1C[C@@H](C)N(C1)[*:1]
C=CCN(CC(=O)[O-])C(=O)C1C[NH2+]C1 O=C([O-])C[*:1] C=CCN(C(=O)C1C[NH2+]C1)[*:1]
C=CCN(CC(=O)[O-])C(=O)C1C[NH2+]C1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)C1C[NH2+]C1
C=CCN(CC(=O)[O-])C(=O)C1C[NH2+]C1 C=CC[*:1] O=C([O-])CN(C(=O)C1C[NH2+]C1)[*:1]
CCOC(=O)c1cccc(N2CCSC3(CCCCC3)C2)n1 CCOC(=O)[*:1] c1cc(nc(c1)[*:1])N1CCSC2(CCCCC2)C1
COC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 COC[C@H](C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] COC[C@H](C)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
COC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 COC[C@H](C)NC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
COC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 COC[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[C@@H](C)[*:1]
O=C1Cc2cc(NC(=O)c3ccccc3C(=O)c3ccccc3)ccc2N1 c1ccc(cc1)[*:1] O=C1Cc2cc(ccc2N1)NC(=O)c1ccccc1C(=O)[*:1]
O=C1Cc2cc(NC(=O)c3ccccc3C(=O)c3ccccc3)ccc2N1 O=C(c1ccccc1)[*:1] O=C1Cc2cc(ccc2N1)NC(=O)c1ccccc1[*:1]
COC(=O)CN1CCN(c2cccc(C)c2C)CC1 COC(=O)[*:1] Cc1cccc(c1C)N1CCN(CC1)C[*:1]
COC(=O)CN1CCN(c2cccc(C)c2C)CC1 COC(=O)C[*:1] Cc1cccc(c1C)N1CCN(CC1)[*:1]
O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(O[*:1])c(Cl)c1
O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(c(Cl)c1)[*:1]
O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(OC(F)F)c(Cl)c1 O=[N+]([O-])[*:1] O=C(COc1cc(F)ccc1[*:1])Nc1ccc(OC(F)F)c(Cl)c1
CCCn1c(CNc2ccc(Cl)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 CCC[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)nc(CNc1ccc(Cl)cc1)n2[*:1]
CCCn1c(CNc2ccc(Cl)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 Clc1ccc(cc1)[*:1] CCCn1c(CN[*:1])nc2cc(ccc21)S(=O)(=O)N(C)C
CCCn1c(CNc2ccc(Cl)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] CCCn1c(CNc2ccc(Cl)cc2)nc2cc(ccc21)[*:1]
CCCn1c(CNc2ccc(Cl)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 Clc1ccc(cc1)NC[*:1] CCCn1c(nc2cc(ccc21)S(=O)(=O)N(C)C)[*:1]
CCCn1c(CNc2ccc(Cl)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 Clc1ccc(cc1)N[*:1] CCCn1c(C[*:1])nc2cc(ccc21)S(=O)(=O)N(C)C
Cc1ccc(CCC(=O)N2CCN(Cc3cc(C)on3)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(CN2CCN(CC2)C(=O)C[*:1])no1
Cc1ccc(CCC(=O)N2CCN(Cc3cc(C)on3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)CC[*:1])no1
Cc1ccc(CCC(=O)N2CCN(Cc3cc(C)on3)CC2)cc1 Cc1cc(C[*:1])no1 Cc1ccc(cc1)CCC(=O)N1CCN(CC1)[*:1]
Cc1ccc(CCC(=O)N2CCN(Cc3cc(C)on3)CC2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)CCC(=O)N1CCN(CC1)C[*:1]
CCc1nc(C(=O)NCc2cccc(C(F)(F)F)c2)n[nH]1 FC(F)(F)[*:1] CCc1nc(n[nH]1)C(=O)NCc1cccc(c1)[*:1]
CCc1nc(C(=O)NCc2cccc(C(F)(F)F)c2)n[nH]1 CCc1nc(n[nH]1)[*:1] O=C(NCc1cccc(c1)C(F)(F)F)[*:1]
O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(N[C@@H]1CCN(C1=O)c1ccccc1F)c1ccc(cc1)[*:1]
O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-n2ccnn2)cc1 Fc1ccccc1[*:1] O=C(N[C@@H]1CCN(C1=O)[*:1])c1ccc(cc1)-n1ccnn1
CC(C)(C)c1ccc(CCC(=O)NCc2ccncc2)cc1 CC(C)(C)[*:1] O=C(CCc1ccc(cc1)[*:1])NCc1ccncc1
CC(C)(C)c1ccc(CCC(=O)NCc2ccncc2)cc1 c1cc(ccn1)C[*:1] CC(C)(C)c1ccc(cc1)CCC(=O)N[*:1]
CC(C)(C)c1ccc(CCC(=O)NCc2ccncc2)cc1 c1cc(ccn1)[*:1] CC(C)(C)c1ccc(cc1)CCC(=O)NC[*:1]
O=C(NCCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)C[*:1] O=C(NC[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(NCCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCCc1ccccc1)N1CCN(CC1)[*:1]
O=C(NCCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(NCC[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(NCCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)CC[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(F)cc1
CCCCCC[C@@H](C)n1ccc(N)n1 CCC[*:1] C[C@H](CCC[*:1])n1ccc(N)n1
CCCCCC[C@@H](C)n1ccc(N)n1 CCCC[*:1] C[C@H](CC[*:1])n1ccc(N)n1
O=C(c1cccc(-n2ccnn2)c1)N1CCC(OCc2ccc(F)cc2)CC1 c1cn(nn1)[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(c1cccc(-n2ccnn2)c1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C(c1cccc(c1)-n1ccnn1)N1CCC(CC1)[*:1]
O=C(c1cccc(-n2ccnn2)c1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(c1cccc(c1)-n1ccnn1)N1CCC(CC1)O[*:1]
O=C(c1cccc(-n2ccnn2)c1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cccc(c1)-n1ccnn1)N1CCC(CC1)OC[*:1]
O=C(NCC#CCOc1ccc(F)cc1F)c1cc2ccccc2o1 Fc1ccc(c(F)c1)[*:1] O=C(NCC#CCO[*:1])c1cc2ccccc2o1
C[C@H](NS(=O)(=O)Cc1ccc2ccccc2c1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@H](NS(=O)(=O)Cc1ccc2ccccc2c1)c1ccc(cc1)[*:1]
C[C@H](NS(=O)(=O)Cc1ccc2ccccc2c1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@H](NS(=O)(=O)Cc1ccc2ccccc2c1)c1ccc(cc1)NC(=O)[*:1]
CN(Cc1ccn(C)c1)[C@H]1CCC[C@@H]1S(C)(=O)=O Cn1ccc(c1)[*:1] CN(C[*:1])[C@H]1CCC[C@@H]1S(C)(=O)=O
CN(Cc1ccn(C)c1)[C@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(Cc1ccn(C)c1)[C@H]1CCC[C@H]1[*:1]
CCN(C[C@H]1CCOC1)C(=O)c1cc(-c2cccs2)nc2onc(C)c12 c1csc(c1)[*:1] CCN(C[C@H]1CCOC1)C(=O)c1cc(nc2onc(C)c12)[*:1]
CCN(C[C@H]1CCOC1)C(=O)c1cc(-c2cccs2)nc2onc(C)c12 C1C[C@@H](CO1)C[*:1] CCN(C(=O)c1cc(nc2onc(C)c12)-c1cccs1)[*:1]
CC[C@@H](C)n1ncc2c(C(=O)N3CCC(c4noc(C)n4)CC3)cc(C)nc21 Cc1nc(no1)[*:1] CC[C@@H](C)n1ncc2c(cc(C)nc21)C(=O)N1CCC(CC1)[*:1]
CC1CCC(NC(=O)C#Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC1CCC(CC1)NC(=O)C#C[*:1]
O=C(CCNC(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 O=C(NC[*:1])c1ccccc1 O=C(C[*:1])Nc1ccccc1C(=O)N1CCN(CC1)c1ccccc1
O=C(CCNC(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 O=C(N[*:1])c1ccccc1 O=C(CC[*:1])Nc1ccccc1C(=O)N1CCN(CC1)c1ccccc1
O=C(CCNC(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 O=C(NCC[*:1])c1ccccc1 O=C(c1ccccc1NC(=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(CCNC(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCNC(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCN(CC1)[*:1]
O=C(CCNC(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCNC(=O)[*:1])Nc1ccccc1C(=O)N1CCN(CC1)c1ccccc1
C[C@H](c1ccccc1)S(=O)(=O)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] C[C@H](S(=O)(=O)c1nc2ccccc2[nH]1)[*:1]
CC[NH+]1CCCN(C(=O)Cc2csc(NC(=O)C(C)C)n2)CC1 CC(C)[*:1] CC[NH+]1CCCN(CC1)C(=O)Cc1csc(n1)NC(=O)[*:1]
CC[NH+]1CCCN(C(=O)Cc2csc(NC(=O)C(C)C)n2)CC1 CC(C)C(=O)N[*:1] CC[NH+]1CCCN(CC1)C(=O)Cc1csc(n1)[*:1]
Cc1ccccc1-n1nc([N+](=O)[O-])c(NCCc2ccc(Cl)cc2)[n+]1[O-] Cc1ccccc1[*:1] O=[N+]([O-])c1nn([n+]([O-])c1NCCc1ccc(Cl)cc1)[*:1]
Cc1ccccc1-n1nc([N+](=O)[O-])c(NCCc2ccc(Cl)cc2)[n+]1[O-] Clc1ccc(cc1)[*:1] Cc1ccccc1-n1nc(c(NCC[*:1])[n+]1[O-])[N+](=O)[O-]
Cc1ccccc1-n1nc([N+](=O)[O-])c(NCCc2ccc(Cl)cc2)[n+]1[O-] O=[N+]([O-])[*:1] Cc1ccccc1-n1nc(c(NCCc2ccc(Cl)cc2)[n+]1[O-])[*:1]
Cc1ccccc1-n1nc([N+](=O)[O-])c(NCCc2ccc(Cl)cc2)[n+]1[O-] Clc1ccc(cc1)C[*:1] Cc1ccccc1-n1nc(c(NC[*:1])[n+]1[O-])[N+](=O)[O-]
CC1CCN(C(=O)C2CC[NH+](Cc3cccc4c3OCCCO4)CC2)CC1 CC1CCN(CC1)C(=O)[*:1] c1cc(C[NH+]2CCC(CC2)[*:1])c2OCCCOc2c1
O=C(C[C@H]1C[NH2+]CCO1)N[C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(C[C@H]1C[NH2+]CCO1)N[C@H](C1CC1)[*:1]
O=C(C[C@H]1C[NH2+]CCO1)N[C@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(C[C@H]1C[NH2+]CCO1)N[C@H](c1ccccc1)[*:1]
CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)Cc1ccc2c(c1)CCO2 CNC(=O)[*:1] O=C(Cc1ccc2OCCc2c1)NCC(=O)N1CCC[C@@H]1[*:1]
CC[C@@](C)([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)([NH2+][C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC[C@@](C)([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-] CS(=O)(=O)[*:1] CC[C@@](C)([NH2+][C@H]1CCC[C@H](C1)[*:1])C(=O)[O-]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)C(=O)[C@H]1C[C@@H]1c1ccccc1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 COC(=O)C(C)(C)[*:1] O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)[C@H]1C[C@H]1[*:1]
CCCNC(=O)C[NH+](C)Cc1nc2cc(N)ccc2o1 CCCNC(=O)[*:1] C[NH+](Cc1nc2cc(N)ccc2o1)C[*:1]
CCCNC(=O)C[NH+](C)Cc1nc2cc(N)ccc2o1 CCC[*:1] C[NH+](CC(=O)N[*:1])Cc1nc2cc(N)ccc2o1
CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CC)c1 CCc1ccccc1[*:1] CCNS(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CC)c1 CCNS(=O)(=O)[*:1] CCc1ccccc1CNC(=O)c1cccc(c1)[*:1]
COCC[C@H](C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 COCC[*:1] C[C@H](C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)[*:1]
COCC[C@H](C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCC[C@H](C)C(=O)Nc1ccccc1C(=O)N[*:1]
COCC[C@H](C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 COC[*:1] C[C@@H](C[*:1])C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2c(F)cccc2F)c(C)c1 Fc1cccc(F)c1[*:1] Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)[*:1])c(C)c1
CN(C)C(=O)Cn1cc(NC(=O)NC[C@H](O)c2ccccc2F)cn1 CN(C)C(=O)[*:1] O=C(NC[C@H](O)c1ccccc1F)Nc1cnn(c1)C[*:1]
CN(C)C(=O)Cn1cc(NC(=O)NC[C@H](O)c2ccccc2F)cn1 Fc1ccccc1[*:1] CN(C)C(=O)Cn1cc(cn1)NC(=O)NC[C@H](O)[*:1]
CN(C)C(=O)Cn1cc(NC(=O)NC[C@H](O)c2ccccc2F)cn1 CN(C)C(=O)C[*:1] O=C(NC[C@H](O)c1ccccc1F)Nc1cnn(c1)[*:1]
FC(F)(F)c1ccnc(N2CCC[C@@H](N3CCOCC3)C2)c1 FC(F)(F)[*:1] c1cc(cc(n1)N1CCC[C@H](C1)N1CCOCC1)[*:1]
FC(F)(F)c1ccnc(N2CCC[C@@H](N3CCOCC3)C2)c1 C1CN(CCO1)[*:1] FC(F)(F)c1ccnc(c1)N1CCC[C@@H](C1)[*:1]
COc1ccc(CCCN(C)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC Cc1ccc(cc1Cl)[*:1] COc1ccc(cc1OC)CCCN(C)C(=O)N[*:1]
Cc1cc(NC(=O)Cn2c(C)c(C)sc2=O)no1 Cc1cc(no1)[*:1] Cc1sc(=O)n(CC(=O)N[*:1])c1C
COc1cccc(CO[C@H](C)C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c1 COc1cccc(c1)C[*:1] C[C@@H](O[*:1])C(=O)N1CC[C@H](C(N)=O)c2ccccc21
COc1cccc(CO[C@H](C)C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c1 COc1cccc(c1)[*:1] C[C@@H](OC[*:1])C(=O)N1CC[C@H](C(N)=O)c2ccccc21
COc1cccc(CO[C@H](C)C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c1 NC(=O)[*:1] COc1cccc(c1)CO[C@H](C)C(=O)N1CC[C@H](c2ccccc21)[*:1]
FC(F)(F)[C@@H](Cc1ccccc1)N[C@H]1CCO[C@]2(CCSC2)C1 c1ccc(cc1)C[*:1] FC(F)(F)[C@@H](N[C@H]1CCO[C@]2(CCSC2)C1)[*:1]
FC(F)(F)[C@@H](Cc1ccccc1)N[C@H]1CCO[C@]2(CCSC2)C1 c1ccc(cc1)[*:1] FC(F)(F)[C@@H](C[*:1])N[C@H]1CCO[C@]2(CCSC2)C1
FC(F)(F)[C@@H](Cc1ccccc1)N[C@H]1CCO[C@]2(CCSC2)C1 FC(F)(F)[*:1] c1ccc(cc1)C[C@@H](N[C@H]1CCO[C@]2(CCSC2)C1)[*:1]
C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCN(CC1)[*:1]
O=C(NCCOc1cccnc1)c1ccc(CN2CCCC2=O)cc1 c1cncc(c1)[*:1] O=C(NCCO[*:1])c1ccc(cc1)CN1CCCC1=O
O=C(NCCOc1cccnc1)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(NCCOc1cccnc1)c1ccc(cc1)C[*:1]
O=C(NCCOc1cccnc1)c1ccc(CN2CCCC2=O)cc1 c1cncc(c1)O[*:1] O=C(NCC[*:1])c1ccc(cc1)CN1CCCC1=O
O=C(NCCOc1cccnc1)c1ccc(CN2CCCC2=O)cc1 c1cncc(c1)OC[*:1] O=C(NC[*:1])c1ccc(cc1)CN1CCCC1=O
O=C(NCCOc1cccnc1)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] O=C(NCCOc1cccnc1)c1ccc(cc1)[*:1]
CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1 CC(C)C[*:1] CC1NC(=S)N[C@H](C=1C(=O)O[*:1])c1ccccc1C(F)(F)F
CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1 CC(C)COC(=O)[*:1] CC1NC(=S)N[C@H](C=1[*:1])c1ccccc1C(F)(F)F
CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1 CC(C)[*:1] CC1NC(=S)N[C@H](C=1C(=O)OC[*:1])c1ccccc1C(F)(F)F
CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1 FC(F)(F)[*:1] CC1NC(=S)N[C@H](C=1C(=O)OCC(C)C)c1ccccc1[*:1]
CCc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(N4CCOCC4)cc(C)[nH+]3)cc2)cc1 C1CN(CCO1)[*:1] CCc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)Nc1nc(cc(C)[nH+]1)[*:1]
CCc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(N4CCOCC4)cc(C)[nH+]3)cc2)cc1 CCc1ccc(cc1)[*:1] Cc1cc(nc(Nc2ccc(cc2)NS(=O)(=O)[*:1])[nH+]1)N1CCOCC1
[NH3+]C[C@H](CO)Cc1c[nH+]cn1C1CC1 C1CC1[*:1] [NH3+]C[C@H](CO)Cc1c[nH+]cn1[*:1]
N#Cc1ccc(N(C(=O)c2ccc(N3CCCCCC3)nc2)C2CC2)cc1 C1CCCN(CC1)[*:1] N#Cc1ccc(cc1)N(C(=O)c1ccc(nc1)[*:1])C1CC1
N#Cc1ccc(N(C(=O)c2ccc(N3CCCCCC3)nc2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)c1ccc(nc1)N1CCCCCC1)[*:1]
N#Cc1ccc(N(C(=O)c2ccc(N3CCCCCC3)nc2)C2CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(c1ccc(nc1)N1CCCCCC1)N(C1CC1)[*:1]
Cc1ncsc1C(=O)NNC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)S[*:1] Cc1ncsc1C(=O)NNC(=O)[C@@H](C)[*:1]
Cc1ncsc1C(=O)NNC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] Cc1ncsc1C(=O)NNC(=O)[C@@H](C)S[*:1]
Cc1ncsc1C(=O)NNC(=O)[C@@H](C)Sc1ccccn1 Cc1ncsc1[*:1] C[C@@H](Sc1ccccn1)C(=O)NNC(=O)[*:1]
CCC[NH+](Cc1cccc(F)c1)C1CCC([NH3+])CC1 CCC[*:1] [NH3+]C1CCC(CC1)[NH+](Cc1cccc(F)c1)[*:1]
O=C(c1ccc2cnsc2c1)N1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(c1ccc2cnsc2c1)N1CCN(CC1)C(=O)[*:1]
O=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1ccccc1F Fc1ccccc1C[*:1] O=C(C[C@H]1Oc2ccccc2NC1=O)NC[*:1]
O=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1ccccc1F Fc1ccccc1[*:1] O=C(C[C@H]1Oc2ccccc2NC1=O)NCC[*:1]
CNC(=O)c1ccsc1NC(=O)Cc1ccc2ccccc2c1 CNC(=O)[*:1] O=C(Cc1ccc2ccccc2c1)Nc1sccc1[*:1]
C[NH+](C)[C@H](CNC(=O)C[C@H](O)c1ccc(Cl)cc1)c1cccc(F)c1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)C[C@H](O)[*:1])c1cccc(F)c1
C[NH+](C)[C@H](CNC(=O)C[C@H](O)c1ccc(Cl)cc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)C[C@H](O)c1ccc(Cl)cc1)[*:1]
CN1CCN(S(=O)(=O)c2cccc(NC(=O)Cc3csc(-c4cccs4)n3)c2)CC1 c1csc(c1)[*:1] CN1CCN(CC1)S(=O)(=O)c1cccc(c1)NC(=O)Cc1csc(n1)[*:1]
CN1CCN(S(=O)(=O)c2cccc(NC(=O)Cc3csc(-c4cccs4)n3)c2)CC1 CN1CCN(CC1)S(=O)(=O)[*:1] O=C(Cc1csc(n1)-c1cccs1)Nc1cccc(c1)[*:1]
CN1CCN(S(=O)(=O)c2cccc(NC(=O)Cc3csc(-c4cccs4)n3)c2)CC1 c1csc(c1)-c1nc(cs1)[*:1] CN1CCN(CC1)S(=O)(=O)c1cccc(c1)NC(=O)C[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)[C@H]1CCCN(C1)c1ccc(nn1)-c1ccccc1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 Cc1cc(ccc1[*:1])[N+](=O)[O-] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-c1ccccc1
Cc1noc(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1 Cc1noc(n1)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(Cl)cc1Cl
Cc1noc(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1 Cc1noc(C[*:1])n1 C[C@H](NC(=O)N[*:1])c1ccc(Cl)cc1Cl
COc1ccc2cc(C(=O)N3CC(OCc4ccccc4Cl)C3)[nH]c2c1 Clc1ccccc1[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CC(C1)OC[*:1]
COc1ccc2cc(C(=O)N3CC(OCc4ccccc4Cl)C3)[nH]c2c1 Clc1ccccc1C[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CC(C1)O[*:1]
Cc1cc(Br)ccc1CN(C)CCc1nccs1 c1csc(n1)[*:1] Cc1cc(Br)ccc1CN(C)CC[*:1]
Cc1cc(Br)ccc1CN(C)CCc1nccs1 c1csc(C[*:1])n1 Cc1cc(Br)ccc1CN(C)C[*:1]
O=C(Nc1cccc(OCc2ccc(F)cc2)c1)[C@@H]1COCCO1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)OC[*:1])[C@@H]1COCCO1
O=C(Nc1cccc(OCc2ccc(F)cc2)c1)[C@@H]1COCCO1 Fc1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)O[*:1])[C@@H]1COCCO1
CCS(=O)(=O)c1ccccc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(C)ccc(C)c2s1 CCS(=O)(=O)[*:1] Cc1ccc(C)c2sc(nc12)N(C[C@@H]1CCCO1)C(=O)c1ccccc1[*:1]
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccc2c(c1)OCO2 Fc1ccccc1[*:1] N#C/C(=C\c1ccc(cc1)OC[*:1])C(=O)NCc1ccc2OCOc2c1
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] N#C/C(=C\c1ccc(cc1)OCc1ccccc1F)C(=O)NC[*:1]
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccc2c(c1)OCO2 Fc1ccccc1C[*:1] N#C/C(=C\c1ccc(cc1)O[*:1])C(=O)NCc1ccc2OCOc2c1
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccc2c(c1)OCO2 Fc1ccccc1CO[*:1] N#C/C(=C\c1ccc(cc1)[*:1])C(=O)NCc1ccc2OCOc2c1
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] N#C/C(=C\c1ccc(cc1)OCc1ccccc1F)C(=O)N[*:1]
CCc1nnc(CS(=O)(=O)[C@@H](C)C(C)C)n1C CC(C)[*:1] CCc1nnc(CS(=O)(=O)[C@@H](C)[*:1])n1C
CCc1nnc(CS(=O)(=O)[C@@H](C)C(C)C)n1C CC(C)[C@H](C)[*:1] CCc1nnc(CS(=O)(=O)[*:1])n1C
CCc1n[nH]c(-c2ccccc2NC(=O)C[C@@H](O)c2cccc(F)c2)n1 CCc1n[nH]c(n1)[*:1] O=C(C[C@@H](O)c1cccc(F)c1)Nc1ccccc1[*:1]
CCc1n[nH]c(-c2ccccc2NC(=O)C[C@@H](O)c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] CCc1n[nH]c(n1)-c1ccccc1NC(=O)C[C@@H](O)[*:1]
O=C(Nc1nnc(Cc2ccc(F)cc2)o1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1nnc(Cc2ccc(F)cc2)o1)N[*:1]
O=C(Nc1nnc(Cc2ccc(F)cc2)o1)Nc1ccccc1Cl Fc1ccc(cc1)C[*:1] O=C(Nc1nnc(o1)[*:1])Nc1ccccc1Cl
O=C(Nc1nnc(Cc2ccc(F)cc2)o1)Nc1ccccc1Cl Fc1ccc(cc1)[*:1] O=C(Nc1nnc(C[*:1])o1)Nc1ccccc1Cl
CC(C)(C)OC(=O)N1CC[C@H](CS(=O)(=O)c2cnc3cc([N+](=O)[O-])ccc3n2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C1)CS(=O)(=O)c1cnc2cc(ccc2n1)[N+](=O)[O-]
CC(C)(C)OC(=O)N1CC[C@H](CS(=O)(=O)c2cnc3cc([N+](=O)[O-])ccc3n2)C1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)CS(=O)(=O)c1cnc2cc(ccc2n1)[*:1]
O=C([C@H]1CCCN(c2cnccn2)C1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 Fc1cccc(c1)[*:1] O=C([C@H]1CCCN(C1)c1cnccn1)N1CCN(CC1)Cc1ccc(s1)[*:1]
O=C([C@H]1CCCN(c2cnccn2)C1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 c1cnc(cn1)[*:1] O=C([C@H]1CCCN(C1)[*:1])N1CCN(CC1)Cc1ccc(s1)-c1cccc(F)c1
C=CCC[C@H](C)OC(=O)c1ccc(C)c(S(C)(=O)=O)c1 C=CCC[C@H](C)[*:1] Cc1ccc(cc1S(C)(=O)=O)C(=O)O[*:1]
C=CCC[C@H](C)OC(=O)c1ccc(C)c(S(C)(=O)=O)c1 C=CCC[*:1] Cc1ccc(cc1S(C)(=O)=O)C(=O)O[C@@H](C)[*:1]
C=CCC[C@H](C)OC(=O)c1ccc(C)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] C=CCC[C@H](C)OC(=O)c1ccc(C)c(c1)[*:1]
C=CCC[C@H](C)OC(=O)c1ccc(C)c(S(C)(=O)=O)c1 C=CC[*:1] Cc1ccc(cc1S(C)(=O)=O)C(=O)O[C@@H](C)C[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)s1 Cc1ccc(s1)[*:1] O=C(NNC(=O)[*:1])N[C@H](CC(F)(F)F)c1ccc(F)cc1
Cc1ccc(C(=O)NNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)s1 FC(F)(F)[*:1] Cc1ccc(s1)C(=O)NNC(=O)N[C@H](C[*:1])c1ccc(F)cc1
Cc1ccc(C(=O)NNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)s1 FC(F)(F)C[*:1] Cc1ccc(s1)C(=O)NNC(=O)N[C@H](c1ccc(F)cc1)[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)NNC(=O)N[C@H](CC(F)(F)F)[*:1]
Cn1cc(CCNC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)cn1 Clc1ccc(c(Cl)c1)[*:1] Cn1cc(cn1)CCNC(=O)c1ccn(n1)[*:1]
Cn1cc(CCNC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)cn1 Cn1cc(cn1)C[*:1] O=C(NC[*:1])c1ccn(n1)-c1ccc(Cl)cc1Cl
Cn1cc(CCNC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)cn1 Cn1cc(cn1)[*:1] O=C(NCC[*:1])c1ccn(n1)-c1ccc(Cl)cc1Cl
Cn1cc(CCNC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)cn1 Cn1cc(cn1)CC[*:1] O=C(N[*:1])c1ccn(n1)-c1ccc(Cl)cc1Cl
Cc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCSCC5)nc4)no3)CC2)c1 Cc1cccc(c1)[*:1] c1cc(ncc1-c1noc(CN2CCN(CC2)[*:1])n1)N1CCSCC1
Cc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCSCC5)nc4)no3)CC2)c1 C1CN(CCS1)[*:1] Cc1cccc(c1)N1CCN(CC1)Cc1nc(no1)-c1ccc(nc1)[*:1]
CCCn1cc(C(=O)N[C@H](C)c2cnn(-c3cccc(OC)c3)c2)c(C)n1 CCC[*:1] COc1cccc(c1)-n1cc(cn1)[C@@H](C)NC(=O)c1cn(nc1C)[*:1]
CCCn1cc(C(=O)N[C@H](C)c2cnn(-c3cccc(OC)c3)c2)c(C)n1 COc1cccc(c1)[*:1] CCCn1cc(C(=O)N[C@H](C)c2cnn(c2)[*:1])c(C)n1
CCCn1cc(C(=O)N[C@H](C)c2cnn(-c3cccc(OC)c3)c2)c(C)n1 CCCn1cc(c(C)n1)[*:1] COc1cccc(c1)-n1cc(cn1)[C@@H](C)NC(=O)[*:1]
C[C@@H](Cc1ccccc1F)NC(=O)N(C)C1CCC1 C1CC(C1)[*:1] C[C@@H](Cc1ccccc1F)NC(=O)N(C)[*:1]
O=C(CSC(=S)N1CCCCC1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CSC(=S)N1CCCCC1)N[*:1]
O=C(CSC(=S)N1CCCCC1)NCc1ccco1 c1coc(c1)[*:1] O=C(CSC(=S)N1CCCCC1)NC[*:1]
CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1ccccc1F
CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccc(Cl)c1 Fc1ccccc1[*:1] CCn1c(nnc1-c1cccc(Cl)c1)SCC(=O)N[*:1]
COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O COc1ccc(Cl)cc1[*:1] Cc1c(Cl)ccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2CCCN21)[*:1]
CCc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)C[*:1]
CCc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] CCc1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)Cc1ccccc1)[*:1]
O=C([O-])[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1 O=C([O-])[*:1] O=C(N1CCO[C@@H](C1)[*:1])C1(CCC1)Cc1ccccc1
O=C([O-])[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1 c1ccc(cc1)C[*:1] O=C([O-])[C@@H]1CN(CCO1)C(=O)C1(CCC1)[*:1]
O=C([O-])[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1CN(CCO1)C(=O)C1(CCC1)C[*:1]
O=C(/N=C1\N=N[C@@H](C2CCCCC2)S1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(/N=C1\N=N[C@H](S1)C1CCCCC1)N[*:1]
O=C(/N=C1\N=N[C@@H](C2CCCCC2)S1)Nc1ccccc1F C1CCC(CC1)[*:1] O=C(/N=C1\N=N[C@@H](S1)[*:1])Nc1ccccc1F
CCCCNC(=O)CCc1c(C)n[nH]c1C CCCC[*:1] Cc1n[nH]c(C)c1CCC(=O)N[*:1]
CCCCNC(=O)CCc1c(C)n[nH]c1C CCC[*:1] Cc1n[nH]c(C)c1CCC(=O)NC[*:1]
COc1ccc([C@@H](O)CNC(=O)C[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] COc1ccc(cc1)[C@@H](O)CNC(=O)C[*:1]
COc1ccc([C@@H](O)CNC(=O)C[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] COc1ccc(cc1)[C@@H](O)CNC(=O)[*:1]
Cn1c(SCc2ccc(Cl)cc2)nc(=O)c2c1NC(=O)C[C@H]2c1ccc2c(c1)OCCO2 Clc1ccc(cc1)CS[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2c1ccc2OCCOc2c1)[*:1]
Cn1c(SCc2ccc(Cl)cc2)nc(=O)c2c1NC(=O)C[C@H]2c1ccc2c(c1)OCCO2 Clc1ccc(cc1)[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2c1ccc2OCCOc2c1)SC[*:1]
Cn1c(SCc2ccc(Cl)cc2)nc(=O)c2c1NC(=O)C[C@H]2c1ccc2c(c1)OCCO2 Clc1ccc(cc1)C[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2c1ccc2OCCOc2c1)S[*:1]
Cn1c(SCc2ccc(Cl)cc2)nc(=O)c2c1NC(=O)C[C@H]2c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@@H]2[*:1])SCc1ccc(Cl)cc1
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)C1 c1coc(c1)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
COc1ccc(S(=O)(=O)CC(=O)N2CCC(Oc3nc4c(F)cccc4s3)CC2)cc1 Fc1cccc2sc(nc12)[*:1] COc1ccc(cc1)S(=O)(=O)CC(=O)N1CCC(CC1)O[*:1]
COc1ccc(S(=O)(=O)CC(=O)N2CCC(Oc3nc4c(F)cccc4s3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])N1CCC(CC1)Oc1nc2c(F)cccc2s1
C[C@H]1C[C@H](C)C[NH+](C[C@@H](O)CO[C@@H]2CCC[C@@H]2C)C1 C[C@H]1CCC[C@H]1[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C[C@@H](O)CO[*:1]
COc1ccccc1CNC(=O)c1ccc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nc1N COc1ccccc1C[*:1] Nc1nc(ccc1C(=O)N[*:1])C1CCN(CC1)C(=O)[C@@H]1CCCO1
COc1ccccc1CNC(=O)c1ccc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nc1N COc1ccccc1[*:1] Nc1nc(ccc1C(=O)NC[*:1])C1CCN(CC1)C(=O)[C@@H]1CCCO1
NC(=O)CONC(=O)COc1ccc2c(c1)CCC2 NC(=O)[*:1] O=C(COc1ccc2CCCc2c1)NOC[*:1]
NC(=O)CONC(=O)COc1ccc2c(c1)CCC2 NC(=O)C[*:1] O=C(COc1ccc2CCCc2c1)NO[*:1]
CCC[NH2+]C1CCN([C@@H](C)[C@@H](C)O)CC1 C[C@@H]([C@@H](C)O)[*:1] CCC[NH2+]C1CCN(CC1)[*:1]
CCC[NH2+]C1CCN([C@@H](C)[C@@H](C)O)CC1 CCC[*:1] C[C@@H]([C@@H](C)O)N1CCC(CC1)[NH2+][*:1]
CCC[NH2+]C1CCN([C@@H](C)[C@@H](C)O)CC1 C[C@@H](O)[*:1] CCC[NH2+]C1CCN(CC1)[C@@H](C)[*:1]
C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(C(N)=O)o1 NC(=O)[*:1] C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(o1)[*:1]
CCCNC(=O)c1cccc(NC(=O)Cc2cc(F)ccc2F)c1 CCC[*:1] O=C(Cc1cc(F)ccc1F)Nc1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(NC(=O)Cc2cc(F)ccc2F)c1 Fc1ccc(F)c(c1)[*:1] CCCNC(=O)c1cccc(c1)NC(=O)C[*:1]
CCCNC(=O)c1cccc(NC(=O)Cc2cc(F)ccc2F)c1 CCCNC(=O)[*:1] O=C(Cc1cc(F)ccc1F)Nc1cccc(c1)[*:1]
CCCNC(=O)CS(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 CCCNC(=O)C[*:1] O=S(=O)(Cc1coc(n1)-c1cccc(Cl)c1)[*:1]
CCCNC(=O)CS(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CCCNC(=O)CS(=O)(=O)Cc1coc(n1)[*:1]
CCCNC(=O)CS(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 CCCNC(=O)[*:1] O=S(=O)(Cc1coc(n1)-c1cccc(Cl)c1)C[*:1]
CCCNC(=O)CS(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 CCC[*:1] O=C(CS(=O)(=O)Cc1coc(n1)-c1cccc(Cl)c1)N[*:1]
C[C@@H](C(=O)Nc1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
C[C@@H](C(=O)Nc1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] C[C@@H](C(=O)Nc1ccccc1)N1CCN(CC1)C(=O)[*:1]
O=C(CS(=O)(=O)Cc1ccc(F)cc1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CS(=O)(=O)Cc1ccc(F)cc1)NC[*:1]
O=C(CS(=O)(=O)Cc1ccc(F)cc1)NCc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(CS(=O)(=O)C[*:1])NCc1ccc(Cl)cc1
Cc1ccc(NC(=O)COCc2cc(-c3ccco3)on2)cc1C Cc1ccc(cc1C)[*:1] O=C(COCc1cc(on1)-c1ccco1)N[*:1]
Cc1ccc(NC(=O)COCc2cc(-c3ccco3)on2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)NC(=O)COCc1cc(on1)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)NCc3cccc(OC(C)C)c3)CC2)on1 CC(C)O[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)C(=O)NCc1cccc(c1)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)NCc3cccc(OC(C)C)c3)CC2)on1 CC(C)[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)C(=O)NCc1cccc(c1)O[*:1]
Cc1cc(C(=O)N2CCN(C(=O)NCc3cccc(OC(C)C)c3)CC2)on1 Cc1cc(on1)[*:1] CC(C)Oc1cccc(c1)CNC(=O)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@]1([NH3+])CCC[C@@H](SCc2cc(C)cc(C)c2)C1 COC(=O)[*:1] Cc1cc(C)cc(c1)CS[C@@H]1CCC[C@@]([NH3+])(C1)[*:1]
O=C(Nc1nnc(CCCOc2ccccc2)s1)C1CCCCC1 c1ccc(cc1)OC[*:1] O=C(Nc1nnc(CC[*:1])s1)C1CCCCC1
O=C(Nc1nnc(CCCOc2ccccc2)s1)C1CCCCC1 c1ccc(cc1)O[*:1] O=C(Nc1nnc(CCC[*:1])s1)C1CCCCC1
O=C(Nc1nnc(CCCOc2ccccc2)s1)C1CCCCC1 c1ccc(cc1)[*:1] O=C(Nc1nnc(CCCO[*:1])s1)C1CCCCC1
O=C(Nc1nnc(CCCOc2ccccc2)s1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1nnc(CCCOc2ccccc2)s1)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)Nc2cc(C)ccc2C)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)Nc1cc(C)ccc1C)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)Nc2cc(C)ccc2C)C(C)C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](NC(=O)[*:1])C(C)C
Cc1ccc(C(=O)N[C@@H](C(=O)Nc2cc(C)ccc2C)C(C)C)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)N[*:1])C(C)C
NC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1F NC(=O)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])N1CCCC[C@@H]1c1[nH]cc[nH+]1
Cc1cccc(SCC(=O)[C@@H]2CCO[C@]3(CCOC3)C2)c1 Cc1cccc(c1)[*:1] O=C(CS[*:1])[C@@H]1CCO[C@]2(CCOC2)C1
Cc1ccc(S(=O)(=O)NNc2ncnc(Oc3ccc4ccccc4c3)c2[N+](=O)[O-])cc1 c1ccc2cc(ccc2c1)[*:1] Cc1ccc(cc1)S(=O)(=O)NNc1ncnc(O[*:1])c1[N+](=O)[O-]
Cc1ccc(S(=O)(=O)NNc2ncnc(Oc3ccc4ccccc4c3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1Oc1ccc2ccccc2c1)NNS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)NNc2ncnc(Oc3ccc4ccccc4c3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)NNc1ncnc(Oc2ccc3ccccc3c2)c1[*:1]
Cc1cc2nc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n(C(C)C)c(=O)c2[nH]1 c1ccc(cc1)[*:1] Cc1cc2nc(SCC(=O)N3CCN(CC3)C[*:1])n(c(=O)c2[nH]1)C(C)C
Cc1cc2nc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n(C(C)C)c(=O)c2[nH]1 c1ccc(cc1)C[*:1] Cc1cc2nc(SCC(=O)N3CCN(CC3)[*:1])n(c(=O)c2[nH]1)C(C)C
Cc1cc2nc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n(C(C)C)c(=O)c2[nH]1 CC(C)[*:1] Cc1cc2nc(SCC(=O)N3CCN(CC3)Cc3ccccc3)n(c(=O)c2[nH]1)[*:1]
COc1cccc(C(=O)N2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)c1 COc1cccc(c1)[*:1] [NH3+]CCn1nc(c2nccnc21)[C@H]1CCN(C1)C(=O)[*:1]
CC(C)C[C@@H](C[C@H](O)c1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](C[C@H](O)c1ccccc1)[*:1]
CC(C)C[C@@H](C[C@H](O)c1ccccc1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H](C[C@H](O)c1ccccc1)C[*:1]
CC(C)C[C@@H](C[C@H](O)c1ccccc1)C(=O)[O-] CC(C)C[*:1] O=C([O-])[C@H](C[C@H](O)c1ccccc1)[*:1]
CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 C1CCC(CC1)[*:1] CCn1c(nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1)SCC(=O)N[*:1]
CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCn1c(nnc1[C@@H]1CCCN1C(=O)[*:1])SCC(=O)NC1CCCCC1
CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 O=C(NC1CCCCC1)[*:1] CCn1c(nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1)SC[*:1]
CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 O=C(C[*:1])NC1CCCCC1 CCn1c(nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1)S[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)N[C@@H](C)c1ccccc1Cl Cc1cccc(C)c1[*:1] C[C@H](NC(=O)NCC(=O)N[*:1])c1ccccc1Cl
Cc1cccc(C)c1NC(=O)CNC(=O)N[C@@H](C)c1ccccc1Cl Clc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)N[C@@H](C)[*:1]
Cc1nc(C)n(Cc2cccc(NCC#Cc3ccc(Cl)cc3)c2)n1 Clc1ccc(cc1)[*:1] Cc1nc(C)n(Cc2cccc(c2)NCC#C[*:1])n1
Cc1nc(C)n(Cc2cccc(NCC#Cc3ccc(Cl)cc3)c2)n1 Cc1nc(C)n(n1)[*:1] Clc1ccc(C#CCNc2cccc(c2)C[*:1])cc1
Cc1nc(C)n(Cc2cccc(NCC#Cc3ccc(Cl)cc3)c2)n1 Cc1nc(C)n(C[*:1])n1 Clc1ccc(C#CCNc2cccc(c2)[*:1])cc1
CO[C@]1(C)C[C@H](N(C)C(=O)Nc2cc(C(=O)N(C)C)ccc2F)C1(C)C CN(C)C(=O)[*:1] CO[C@]1(C)C[C@H](N(C)C(=O)Nc2cc(ccc2F)[*:1])C1(C)C
O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] O=C(Cc1ccc2OCCc2c1)Nc1ccc(cc1)S[*:1]
O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] O=C(Cc1ccc2OCCc2c1)Nc1ccc(cc1)[*:1]
COc1ccc(C2=NO[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc1 COc1ccc(cc1)[*:1] O=C([C@H]1CC(=NO1)[*:1])N1CCc2ccccc2C1
COc1ccccc1NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O COc1ccccc1[*:1] C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[*:1])C2=O
CC(C)[C@H]([NH3+])c1nc2c(s1)CCC2(C)C CC(C)[*:1] CC1(C)CCc2sc(nc21)[C@@H]([NH3+])[*:1]
CSc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cc1 CSc1ccc(cc1)[*:1] O=C(NCC(F)(F)F)c1cccc(c1)S(=O)(=O)N[*:1]
CSc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cc1 FC(F)(F)[*:1] CSc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
CSc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cc1 O=C(NCC(F)(F)F)[*:1] CSc1ccc(cc1)NS(=O)(=O)c1cccc(c1)[*:1]
CSc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cc1 FC(F)(F)C[*:1] CSc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CCC(CC)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC)cc1OC CCC(CC)[*:1] COc1ccc(c(c1)OC)N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1[nH]nc(C2CC2)c1Cl c1ccc(cc1)C[*:1] C[C@H]1CN(CCN1C(=O)c1[nH]nc(c1Cl)C1CC1)[*:1]
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] C[C@H]1CN(CCN1C(=O)c1[nH]nc(c1Cl)[*:1])Cc1ccccc1
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1[nH]nc(C2CC2)c1Cl c1ccc(cc1)[*:1] C[C@H]1CN(CCN1C(=O)c1[nH]nc(c1Cl)C1CC1)C[*:1]
C[C@H]1CCN(C(=O)NC2CCN(c3cccc(F)c3)CC2)C[C@H]1O Fc1cccc(c1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NC1CCN(CC1)[*:1]
O=c1c2cnc(N3CCCCC3)nc2ccn1-c1cccc2ccccc12 C1CCN(CC1)[*:1] O=c1c2cnc(nc2ccn1-c1cccc2ccccc12)[*:1]
Cc1ccc(NC(=O)[C@H](C)N2CCO[C@H](c3ccccc3)C2)c(Cl)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@H](C)N2CCO[C@H](C2)[*:1])c(Cl)c1
Cc1ccc(NC(=O)[C@H](C)N2CCO[C@H](c3ccccc3)C2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] C[C@@H](C(=O)N[*:1])N1CCO[C@@H](C1)c1ccccc1
COc1cccc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CN1CCN(CC1)[*:1]
COc1cccc(N2CCN(CC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)CC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(C(N)=O)s2)c1 NC(=O)[*:1] Cc1cnn(c1)C[C@H]1CCCN1C(=O)c1ccc(s1)[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(C(N)=O)s2)c1 Cc1cnn(c1)C[*:1] NC(=O)c1ccc(s1)C(=O)N1CCC[C@@H]1[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(C(N)=O)s2)c1 Cc1cnn(c1)[*:1] NC(=O)c1ccc(s1)C(=O)N1CCC[C@@H]1C[*:1]
CCOc1cc2c(cc1NC(=O)C=C1CCSCC1)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)NC(=O)C=C1CCSCC1)[*:1]
CCc1nc(SCC(=O)Nc2cccc(O)c2)c2oc3ccccc3c2n1 Oc1cccc(c1)[*:1] CCc1nc(SCC(=O)N[*:1])c2oc3ccccc3c2n1
COc1cccc([C@H](CO)NC(=O)[C@H](C)c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] COc1cccc(c1)[C@H](CO)NC(=O)[C@H](C)[*:1]
CCCC(=O)NCc1ccc(Cn2ccnc2)cc1 CCCC(=O)N[*:1] c1cn(cn1)Cc1ccc(cc1)C[*:1]
CCCC(=O)NCc1ccc(Cn2ccnc2)cc1 c1cn(cn1)C[*:1] CCCC(=O)NCc1ccc(cc1)[*:1]
CCCC(=O)NCc1ccc(Cn2ccnc2)cc1 c1cn(cn1)[*:1] CCCC(=O)NCc1ccc(cc1)C[*:1]
CCCC(=O)NCc1ccc(Cn2ccnc2)cc1 CCC[*:1] O=C(NCc1ccc(cc1)Cn1ccnc1)[*:1]
C[C@H](C(=O)c1ccc2c(c1)CCC2)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](C(=O)c1ccc2CCCc2c1)[*:1]
CCC[C@@H](C)N1CC2(CCN(C(=O)CCNC(C)=O)CC2)OC1=O CCC[C@@H](C)[*:1] CC(=O)NCCC(=O)N1CCC2(CC1)CN(C(=O)O2)[*:1]
CCC[C@@H](C)N1CC2(CCN(C(=O)CCNC(C)=O)CC2)OC1=O CC(=O)NCC[*:1] CCC[C@@H](C)N1CC2(CCN(CC2)C(=O)[*:1])OC1=O
CCC[C@@H](C)N1CC2(CCN(C(=O)CCNC(C)=O)CC2)OC1=O CC(=O)NC[*:1] CCC[C@@H](C)N1CC2(CCN(CC2)C(=O)C[*:1])OC1=O
CCC[C@@H](C)N1CC2(CCN(C(=O)CCNC(C)=O)CC2)OC1=O CC(=O)N[*:1] CCC[C@@H](C)N1CC2(CCN(CC2)C(=O)CC[*:1])OC1=O
CCC[C@@H](C)N1CC2(CCN(C(=O)CCNC(C)=O)CC2)OC1=O CCC[*:1] CC(=O)NCCC(=O)N1CCC2(CC1)CN(C(=O)O2)[C@H](C)[*:1]
O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccc1)C(=S)N2c1ccccc1 c1ccc(cc1)[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N(C[*:1])C(=S)N2c1ccccc1
O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccc1)C(=S)N2c1ccccc1 c1ccc(cc1)C[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N(C(=S)N2c1ccccc1)[*:1]
O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccc1)C(=S)N2c1ccccc1 c1ccc(cc1)[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccc1)C(=S)N2[*:1]
O=C(NCC(c1ccccc1)c1ccccc1)C1(c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(NCC(c1ccccc1)[*:1])C1(CC1)c1ccc(F)cc1
O=C(NCC(c1ccccc1)c1ccccc1)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCC(c1ccccc1)c1ccccc1)C1(CC1)[*:1]
CC(C)(O)CC[NH+](Cc1ccco1)Cc1cccs1 CC(C)(O)[*:1] c1coc(c1)C[NH+](CC[*:1])Cc1cccs1
CC(C)(O)CC[NH+](Cc1ccco1)Cc1cccs1 CC(C)(O)C[*:1] c1coc(c1)C[NH+](Cc1cccs1)C[*:1]
CC(C)(O)CC[NH+](Cc1ccco1)Cc1cccs1 c1csc(c1)[*:1] CC(C)(O)CC[NH+](Cc1ccco1)C[*:1]
CC(C)(O)CC[NH+](Cc1ccco1)Cc1cccs1 CC(C)(O)CC[*:1] c1coc(c1)C[NH+](Cc1cccs1)[*:1]
CC(C)(O)CC[NH+](Cc1ccco1)Cc1cccs1 c1coc(c1)C[*:1] CC(C)(O)CC[NH+](Cc1cccs1)[*:1]
CC(C)(O)CC[NH+](Cc1ccco1)Cc1cccs1 c1csc(c1)C[*:1] CC(C)(O)CC[NH+](Cc1ccco1)[*:1]
CC(C)(O)CC[NH+](Cc1ccco1)Cc1cccs1 c1coc(c1)[*:1] CC(C)(O)CC[NH+](Cc1cccs1)C[*:1]
Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)C(=O)NC(C)(C)C CC(C)[*:1] Cc1nc(C[*:1])sc1C(=O)N[C@H](C)C(=O)NC(C)(C)C
Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)C(=O)NC(C)(C)C CC(C)C[*:1] Cc1nc(sc1C(=O)N[C@H](C)C(=O)NC(C)(C)C)[*:1]
Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)C(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)C(=O)N[*:1]
Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)[*:1]
NC(=O)c1ccc(SCC(=O)Nc2ccc(F)cc2Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(SCC(=O)Nc2ccc(F)cc2Br)c(c1)[*:1]
NC(=O)c1ccc(SCC(=O)Nc2ccc(F)cc2Br)c([N+](=O)[O-])c1 NC(=O)[*:1] O=C(CSc1ccc(cc1[N+](=O)[O-])[*:1])Nc1ccc(F)cc1Br
NC(=O)c1ccc(SCC(=O)Nc2ccc(F)cc2Br)c([N+](=O)[O-])c1 Fc1ccc(c(Br)c1)[*:1] NC(=O)c1ccc(SCC(=O)N[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(OCCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OCCN2CC[NH2+]CC2)c(c1)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2ccccc2Cl)cc1 c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(cc1)/N=C/c1ccccc1Cl
CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2ccccc2Cl)cc1 Clc1ccccc1C=N[*:1] CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2ccccc2Cl)cc1 c1ccc(cc1)C[*:1] CN(S(=O)(=O)c1ccc(cc1)/N=C/c1ccccc1Cl)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)N=C[*:1]
CCOc1ccc([C@@H]2C[C@H](c3ccccc3C)n3ncnc3N2)cc1 CCO[*:1] Cc1ccccc1[C@H]1C[C@H](Nc2ncnn21)c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2C[C@H](c3ccccc3C)n3ncnc3N2)cc1 Cc1ccccc1[*:1] CCOc1ccc(cc1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@]2(NC(=O)c1ccccc1Cl)C(F)(F)F FC(F)(F)[*:1] CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@@]2(NC(=O)c1ccccc1Cl)[*:1]
CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@]2(NC(=O)c1ccccc1Cl)C(F)(F)F O=C(N[*:1])c1ccccc1Cl CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@@]2(C(F)(F)F)[*:1]
CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@]2(NC(=O)c1ccccc1Cl)C(F)(F)F Clc1ccccc1[*:1] CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@]2(NC(=O)[*:1])C(F)(F)F
CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@]2(NC(=O)c1ccccc1Cl)C(F)(F)F c1cncc(c1)C[*:1] CC1(C)CC(=O)C2=C(C1)N(C(=O)[C@]2(NC(=O)c1ccccc1Cl)C(F)(F)F)[*:1]
CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@]2(NC(=O)c1ccccc1Cl)C(F)(F)F c1cncc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C[*:1])C(=O)[C@]2(NC(=O)c1ccccc1Cl)C(F)(F)F
CCCc1sc(N/N=C/c2cccnc2)nc1-c1ccc(Br)cc1 CCC[*:1] Brc1ccc(cc1)-c1nc(N/N=C/c2cccnc2)sc1[*:1]
CCCc1sc(N/N=C/c2cccnc2)nc1-c1ccc(Br)cc1 c1cncc(c1)[*:1] CCCc1sc(nc1-c1ccc(Br)cc1)NN=C[*:1]
CCCc1sc(N/N=C/c2cccnc2)nc1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCCc1sc(nc1[*:1])N/N=C/c1cccnc1
COc1cccc2c1OC[C@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)C2 O=C(N[*:1])C1CCCC1 COc1cccc2C[C@H](COc21)NC(=O)C[C@@H](C)[*:1]
COc1cccc2c1OC[C@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)C2 C1CCC(C1)[*:1] COc1cccc2C[C@H](COc21)NC(=O)C[C@@H](C)NC(=O)[*:1]
CC(C)c1ccc(CN(C(=O)Nc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)CN(C(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)c1ccc(CN(C(=O)Nc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(Nc1ccccc1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)c1ccc(CN(C(=O)Nc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)[*:1] O=C(Nc1ccccc1)N(Cc1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
C[C@@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nc2sc3CCCCc3c2c(=O)n1Cc1ccco1)C(=O)N(C)C[*:1]
C[C@@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3)C(=O)N(C)Cc1ccccc1 CN(Cc1ccccc1)C(=O)[*:1] C[C@@H](Sc1nc2sc3CCCCc3c2c(=O)n1Cc1ccco1)[*:1]
C[C@@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3)C(=O)N(C)Cc1ccccc1 c1coc(c1)C[*:1] C[C@@H](Sc1nc2sc3CCCCc3c2c(=O)n1[*:1])C(=O)N(C)Cc1ccccc1
C[C@@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3)C(=O)N(C)Cc1ccccc1 c1coc(c1)[*:1] C[C@@H](Sc1nc2sc3CCCCc3c2c(=O)n1C[*:1])C(=O)N(C)Cc1ccccc1
C[C@@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Sc1nc2sc3CCCCc3c2c(=O)n1Cc1ccco1)C(=O)N(C)[*:1]
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ncn(C)n1 Cn1cnc(C[*:1])n1 CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[*:1]
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[*:1]
CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(F)c(C)c2)C1 CCC[*:1] Cc1cc(ccc1F)C(=O)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(F)c(C)c2)C1 Cc1cc(ccc1F)[*:1] CCCCn1cc[nH+]c1[C@H]1CCCN(C1)C(=O)[*:1]
CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(F)c(C)c2)C1 CCCC[*:1] Cc1cc(ccc1F)C(=O)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)NCc1cn2ccsc2n1 c1cn2cc(nc2s1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)NC[*:1]
O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cnn(C2CCCCC2)c1 Brc1ccc(cc1)[*:1] O=C(Nc1ccnn1C[*:1])c1cnn(c1)C1CCCCC1
O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cnn(C2CCCCC2)c1 Brc1ccc(cc1)C[*:1] O=C(Nc1ccnn1[*:1])c1cnn(c1)C1CCCCC1
O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cnn(C2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cnn(c1)[*:1]
COC[C@](C)(NC(=O)N[C@H]1CCCc2c1cnn2C)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)N[C@H]1CCCc2c1cnn2C)[*:1]
COC[C@](C)(NC(=O)N[C@H]1CCCc2c1cnn2C)c1ccccc1 COC[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@@](C)(c1ccccc1)[*:1]
C=CCOc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1 C=CC[*:1] N#C/C(=C\c1ccc(cc1)O[*:1])C(=O)c1c[nH]c2ccccc12
C=CCOc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1 C=CCO[*:1] N#C/C(=C\c1ccc(cc1)[*:1])C(=O)c1c[nH]c2ccccc12
CC(C)Oc1ccccc1-c1cccc(CN2CCOCC2)c1 CC(C)O[*:1] c1cc(cc(c1)-c1ccccc1[*:1])CN1CCOCC1
CC(C)Oc1ccccc1-c1cccc(CN2CCOCC2)c1 C1CN(CCO1)[*:1] CC(C)Oc1ccccc1-c1cccc(c1)C[*:1]
CC(C)Oc1ccccc1-c1cccc(CN2CCOCC2)c1 C1CN(CCO1)C[*:1] CC(C)Oc1ccccc1-c1cccc(c1)[*:1]
CC(C)Oc1ccccc1-c1cccc(CN2CCOCC2)c1 CC(C)[*:1] c1cc(cc(c1)-c1ccccc1O[*:1])CN1CCOCC1
O=C(c1cc(-c2cccnc2)[nH]n1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cc([nH]n1)-c1cccnc1)N1CCN(CC1)C(c1ccc(F)cc1)[*:1]
O=C(c1cc(-c2cccnc2)[nH]n1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 c1cncc(c1)[*:1] O=C(c1cc([nH]n1)[*:1])N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
COc1ccccc1-c1ccc(C(=O)[O-])c(O)c1 O=C([O-])[*:1] COc1ccccc1-c1ccc(c(O)c1)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 C1CC1N[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1ccc(NC2CC2)c(c1)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 C1CC1[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
COc1cc(Cc2noc(CC#N)n2)cc(OC)c1OC N#CC[*:1] COc1cc(cc(OC)c1OC)Cc1noc(n1)[*:1]
Cc1ccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)s1 Cc1ccc(s1)[*:1] O=C(NC[*:1])[C@H]1Cc2cc(Cl)ccc2O1
Cc1cc2occ(CC(=O)NNC(=O)c3ccc(Cl)cc3Cl)c2c(C)c1Cl Clc1ccc(c(Cl)c1)[*:1] Cc1cc2occ(CC(=O)NNC(=O)[*:1])c2c(C)c1Cl
CN(C)c1cccc(-c2nnc(S)n2C)c1 CN(C)[*:1] Cn1c(S)nnc1-c1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccsc2)s1 Cc1ccc(s1)[*:1] O=S(=O)(Nc1ccnn1Cc1ccsc1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccsc2)s1 c1cc(cs1)C[*:1] Cc1ccc(s1)S(=O)(=O)Nc1ccnn1[*:1]
Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccsc2)s1 c1cc(cs1)[*:1] Cc1ccc(s1)S(=O)(=O)Nc1ccnn1C[*:1]
Cc1ccoc1C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 Fc1ccc(cc1F)[*:1] Cc1ccoc1C(=O)N1CCc2[nH]nc(c2C1)[*:1]
Cc1ccoc1C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 Cc1ccoc1[*:1] O=C(N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)[*:1]
C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(c3ncccn3)C2)c2ccccc21 c1cnc(nc1)[*:1] C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(C2)[*:1])c2ccccc21
CSCc1nc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cs1 CSCc1nc(cs1)[*:1] O=C(NC[*:1])c1ccc(cc1)C[NH+]1CCCCC1
CSCc1nc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cs1 CSC[*:1] O=C(NCc1csc(n1)[*:1])c1ccc(cc1)C[NH+]1CCCCC1
C[C@H](c1ccco1)N(C(=O)NCc1nc(C(C)(C)C)cs1)C1CC1 C[C@H](c1ccco1)[*:1] CC(C)(C)c1csc(CNC(=O)N(C2CC2)[*:1])n1
C[C@H](c1ccco1)N(C(=O)NCc1nc(C(C)(C)C)cs1)C1CC1 C1CC1[*:1] C[C@H](c1ccco1)N(C(=O)NCc1nc(cs1)C(C)(C)C)[*:1]
C[C@H](c1ccco1)N(C(=O)NCc1nc(C(C)(C)C)cs1)C1CC1 c1coc(c1)[*:1] C[C@H](N(C(=O)NCc1nc(cs1)C(C)(C)C)C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)NCc1nc(C(C)(C)C)cs1)C1CC1 CC(C)(C)[*:1] C[C@H](c1ccco1)N(C(=O)NCc1nc(cs1)[*:1])C1CC1
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Clc1cc(Cl)cc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1ccccc1
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(cc1)NS(=O)(=O)[*:1]
CN(CCCc1ccccc1)C(=O)C1CCN(C(=O)C2CC2)CC1 c1ccc(cc1)[*:1] CN(CCC[*:1])C(=O)C1CCN(CC1)C(=O)C1CC1
CN(CCCc1ccccc1)C(=O)C1CCN(C(=O)C2CC2)CC1 c1ccc(cc1)C[*:1] CN(CC[*:1])C(=O)C1CCN(CC1)C(=O)C1CC1
CN(CCCc1ccccc1)C(=O)C1CCN(C(=O)C2CC2)CC1 c1ccc(cc1)CC[*:1] CN(C[*:1])C(=O)C1CCN(CC1)C(=O)C1CC1
CN(CCCc1ccccc1)C(=O)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] CN(CCCc1ccccc1)C(=O)C1CCN(CC1)C(=O)[*:1]
COc1cccc(/N=C(\O)[C@H](C)Sc2nncn2-c2ccccc2)c1 COc1cccc(c1)[*:1] C[C@H](Sc1nncn1-c1ccccc1)C(O)=N[*:1]
COc1cccc(/N=C(\O)[C@H](C)Sc2nncn2-c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)/N=C(\O)[C@H](C)Sc1nncn1[*:1]
CN(Cc1ccccn1)c1[nH+]c2ccccc2n1C c1ccc(nc1)[*:1] CN(C[*:1])c1[nH+]c2ccccc2n1C
CC(C)COc1ccccc1NC(=O)[C@@H](C)NS(C)(=O)=O CS(=O)(=O)N[*:1] CC(C)COc1ccccc1NC(=O)[C@@H](C)[*:1]
CC(C)COc1ccccc1NC(=O)[C@@H](C)NS(C)(=O)=O C[C@@H](NS(C)(=O)=O)[*:1] CC(C)COc1ccccc1NC(=O)[*:1]
CC(C)COc1ccccc1NC(=O)[C@@H](C)NS(C)(=O)=O CC(C)[*:1] C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccccc1OC[*:1]
CC(C)COc1ccccc1NC(=O)[C@@H](C)NS(C)(=O)=O CC(C)C[*:1] C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccccc1O[*:1]
CC(C)COc1ccccc1NC(=O)[C@@H](C)NS(C)(=O)=O CC(C)CO[*:1] C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccccc1[*:1]
Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cn2nc(C)cc2C)C3)n1 Cc1cnc(C)c(n1)[*:1] Cc1cc(C)n(CC(=O)NC[C@H]2Cc3cc(F)cc(c3O2)[*:1])n1
Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cn2nc(C)cc2C)C3)n1 Cc1cc(C)n(C[*:1])n1 Cc1cnc(C)c(n1)-c1cc(F)cc2C[C@H](CNC(=O)[*:1])Oc21
Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cn2nc(C)cc2C)C3)n1 Cc1cc(C)n(n1)[*:1] Cc1cnc(C)c(n1)-c1cc(F)cc2C[C@H](CNC(=O)C[*:1])Oc21
COc1ccc2c(-c3ccccc3)c(C(=O)NCCNC(C)=O)oc2c1 CC(=O)NCC[*:1] COc1ccc2c(-c3ccccc3)c(oc2c1)C(=O)N[*:1]
COc1ccc2c(-c3ccccc3)c(C(=O)NCCNC(C)=O)oc2c1 c1ccc(cc1)[*:1] COc1ccc2c(c(oc2c1)C(=O)NCCNC(C)=O)[*:1]
COc1ccc2c(-c3ccccc3)c(C(=O)NCCNC(C)=O)oc2c1 CC(=O)NC[*:1] COc1ccc2c(-c3ccccc3)c(oc2c1)C(=O)NC[*:1]
COc1ccc2c(-c3ccccc3)c(C(=O)NCCNC(C)=O)oc2c1 CC(=O)N[*:1] COc1ccc2c(-c3ccccc3)c(oc2c1)C(=O)NCC[*:1]
O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccc(I)c1 Ic1cccc(c1)[*:1] O=C(CN1C(=O)c2cccc3cccc1c23)N[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)NC1CCCCC1)CC2)[C@@H]1CCCO1 C1CCC(CC1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)N[*:1])[C@@H]1CCCO1
O=C(Nc1nc2c(s1)CN(C(=O)NC1CCCCC1)CC2)[C@@H]1CCCO1 O=C(N[*:1])[C@@H]1CCCO1 O=C(NC1CCCCC1)N1CCc2nc(sc2C1)[*:1]
O=S1(=O)C=C[C@H](NC(=S)N(CCO)[C@@H]2CCS(=O)(=O)C2)C1 OCC[*:1] O=S1(=O)C=C[C@@H](C1)NC(=S)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=S1(=O)C=C[C@H](NC(=S)N(CCO)[C@@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@H](C1)[*:1] O=S1(=O)C=C[C@@H](C1)NC(=S)N(CCO)[*:1]
CCN1CCO[C@@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CCN1CCO[C@H](C1)C(=O)N[C@@H](C#N)[*:1]
O=C(CCN1CCSC1=O)NCc1ccc(OC(F)F)cc1 O=C1SCCN1C[*:1] O=C(C[*:1])NCc1ccc(cc1)OC(F)F
O=C(CCN1CCSC1=O)NCc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(CCN1CCSC1=O)NCc1ccc(cc1)[*:1]
O=C(CCN1CCSC1=O)NCc1ccc(OC(F)F)cc1 O=C1SCCN1[*:1] O=C(CC[*:1])NCc1ccc(cc1)OC(F)F
O=C(CCN1CCSC1=O)NCc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(CCN1CCSC1=O)NCc1ccc(cc1)O[*:1]
CCCCn1c(=O)[nH]c(=O)c2c(-c3ccc(OC)c(OC)c3)ccnc21 CCCC[*:1] COc1ccc(cc1OC)-c1ccnc2c1c(=O)[nH]c(=O)n2[*:1]
CCCCn1c(=O)[nH]c(=O)c2c(-c3ccc(OC)c(OC)c3)ccnc21 CCC[*:1] COc1ccc(cc1OC)-c1ccnc2c1c(=O)[nH]c(=O)n2C[*:1]
Cc1ocnc1CNC(=O)NNC(=O)c1c[nH]c2ccccc12 Cc1ocnc1C[*:1] O=C(NNC(=O)c1c[nH]c2ccccc12)N[*:1]
Cc1ocnc1CNC(=O)NNC(=O)c1c[nH]c2ccccc12 Cc1ocnc1[*:1] O=C(NC[*:1])NNC(=O)c1c[nH]c2ccccc12
CCOC(=O)C1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4[C@@H]23)CC1 CCOC(=O)[*:1] COc1cc2C(=O)N3CCc4ccccc4[C@H]3[C@H](C(=O)N3CCC(CC3)[*:1])c2cc1OC
Cc1nn(CCNS(C)(=O)=O)c(C)c1[N+](=O)[O-] CS(=O)(=O)N[*:1] Cc1nn(CC[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CCNS(C)(=O)=O)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CCNS(C)(=O)=O)c(C)c1[*:1]
COC(=O)c1ccccc1S(=O)(=O)N1CCC(Cn2cc[nH+]c2C)CC1 COC(=O)[*:1] Cc1[nH+]ccn1CC1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
C[C@@H](CNC(=O)[C@@H]1SCCc2sccc21)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@@H]1SCCc2sccc21)O[*:1]
CCOc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(C)o1 CCO[*:1] Cc1ccc(o1)[C@@H](O)CNC(=O)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(C)o1 Cc1ccc(o1)[*:1] CCOc1ccccc1NC(=O)C(=O)NC[C@H](O)[*:1]
COC1CCN(C(=O)NCCCOc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COC1CCN(CC1)C(=O)NCCCO[*:1]
[NH3+]CC[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 [NH3+]CC[*:1] Clc1c[nH+]ccc1N1CCC[C@@H](C1)[*:1]
CC(C)Cn1nc(C(=O)O[C@@H]2CCOC2=O)c2ccccc2c1=O CC(C)[*:1] O=C(O[C@@H]1CCOC1=O)c1nn(C[*:1])c(=O)c2ccccc12
CC(C)Cn1nc(C(=O)O[C@@H]2CCOC2=O)c2ccccc2c1=O CC(C)C[*:1] O=C(O[C@@H]1CCOC1=O)c1nn(c(=O)c2ccccc12)[*:1]
CCNC(=O)c1cc(NCc2cc(F)cc3c2OCOC3)cc[nH+]1 CCNC(=O)[*:1] Fc1cc(CNc2cc[nH+]c(c2)[*:1])c2OCOCc2c1
O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C1=CCCCC1)c1ccncc1 c1cc(ccn1)[*:1] O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C1=CCCCC1)[*:1]
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1 COc1ccccc1[*:1] COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)[NH+]1CCN(CC1)[*:1]
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1 COC(=O)[*:1] COc1ccccc1N1CC[NH+](CC1)[C@@H](C)C(=O)Nc1c([nH]c2ccc(C)cc12)[*:1]
CCOc1ccc(C2=C[C@@H](C(=O)[O-])N=N2)cc1 CCO[*:1] O=C([O-])[C@@H]1C=C(N=N1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=C[C@@H](C(=O)[O-])N=N2)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)C1=C[C@@H](N=N1)[*:1]
O=C(c1cccs1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(c1cccs1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1cccs1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 c1csc(c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1)[*:1]
CCC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)N1CCc2sccc2C1 CCC[*:1] O=C(/C=C/c1ccc2OCOc2c1)N[C@@H](C(=O)N1CCc2sccc2C1)[*:1]
CCC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)N1CCc2sccc2C1 c1cc2OCOc2cc1[*:1] CCC[C@@H](NC(=O)C=C[*:1])C(=O)N1CCc2sccc2C1
CCc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccc(Cl)cc2n1 Clc1ccc(cc1)[*:1] CCc1nc(c2ccc(Cl)cc2n1)N1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)[C@@](C)(N)c1ccc(F)cc1 COC(=O)[*:1] C[C@@](N)(c1ccc(F)cc1)[*:1]
COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 COC(=O)[*:1] Cc1ccc(cc1NS(=O)(=O)c1ccc2CCCCc2c1)[*:1]
O=C(CNC(=O)c1cccs1)N/N=C/c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNC(=O)c1cccs1)NN=C[*:1]
O=C(CNC(=O)c1cccs1)N/N=C/c1ccc(F)cc1 c1csc(c1)[*:1] O=C(CNC(=O)[*:1])N/N=C/c1ccc(F)cc1
CC1(C)CCC[C@@H](Sc2ccc([N+](=O)[O-])cc2)[C@H]1[NH3+] O=[N+]([O-])[*:1] CC1(C)CCC[C@@H](Sc2ccc(cc2)[*:1])[C@H]1[NH3+]
CCC(=O)N1CCCN(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)CC1 CC(C)(C)[*:1] CCC(=O)N1CCCN(CC1)C(=O)N[C@H](C)c1nc(no1)[*:1]
Cn1ncnc1CCNC(=O)CC[C@H]1Cc2ccccc2NC1=O Cn1ncnc1[*:1] O=C(CC[C@H]1Cc2ccccc2NC1=O)NCC[*:1]
Cn1ncnc1CCNC(=O)CC[C@H]1Cc2ccccc2NC1=O Cn1ncnc1C[*:1] O=C(CC[C@H]1Cc2ccccc2NC1=O)NC[*:1]
Cn1ncnc1CCNC(=O)CC[C@H]1Cc2ccccc2NC1=O Cn1ncnc1CC[*:1] O=C(CC[C@H]1Cc2ccccc2NC1=O)N[*:1]
COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@@H]2CCO)c1 OCC[*:1] COc1ccc(OC2CCN(CC2)C(C)=O)c(c1)C(=O)N1CCCC[C@H]1[*:1]
COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@@H]2CCO)c1 CC(=O)N1CCC(CC1)[*:1] COc1ccc(O[*:1])c(c1)C(=O)N1CCCC[C@@H]1CCO
COCCC[NH2+]Cc1c([O-])on[n+]1-c1ccccc1 COC[*:1] [O-]c1on[n+](-c2ccccc2)c1C[NH2+]CC[*:1]
COCCC[NH2+]Cc1c([O-])on[n+]1-c1ccccc1 COCCC[*:1] [O-]c1on[n+](-c2ccccc2)c1C[NH2+][*:1]
COCCC[NH2+]Cc1c([O-])on[n+]1-c1ccccc1 c1ccc(cc1)[*:1] COCCC[NH2+]Cc1c([O-])on[n+]1[*:1]
COCCC[NH2+]Cc1c([O-])on[n+]1-c1ccccc1 COCC[*:1] [O-]c1on[n+](-c2ccccc2)c1C[NH2+]C[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)c1 CO[C@H](C)C(=O)N[*:1] Cc1ccc(cc1C)[C@H]1CCCN1C(=O)Nc1cccc(c1)[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)c1 CO[C@H](C)[*:1] Cc1ccc(cc1C)[C@H]1CCCN1C(=O)Nc1cccc(c1)NC(=O)[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)NC(=O)N1CCC[C@H]1[*:1]
Cc1ccccc1N1C(=O)S/C(=C/c2cccs2)C1=O c1csc(c1)[*:1] Cc1ccccc1N1C(=O)SC(=C[*:1])C1=O
CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)N[C@@H](C)CC)n(C)c(=O)n3C)CC1 CCOC(=O)[*:1] CC[C@H](C)NC(=O)Nc1cc2c(cc1N1CCC(CC1)[*:1])n(C)c(=O)n2C
CCOc1cccc([C@@H]2OCC[C@@H]2CO)c1 CCO[*:1] OC[C@H]1CCO[C@H]1c1cccc(c1)[*:1]
C[C@@H]1COCCN1C(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] C[C@@H]1COCCN1C(=O)c1cnc(s1)[*:1]
C=CCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 C=CCS[*:1] N#CC1=C(NC(=O)C[C@@H]1c1ccc(Cl)cc1)[*:1]
C=CCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 C=CC[*:1] N#CC1=C(NC(=O)C[C@@H]1c1ccc(Cl)cc1)S[*:1]
COc1ccc2nc(C(=O)N3CC[C@H](Cc4ccccc4)C3)ccc2c1 c1ccc(cc1)[*:1] COc1ccc2nc(ccc2c1)C(=O)N1CC[C@@H](C1)C[*:1]
COc1ccc2nc(C(=O)N3CC[C@H](Cc4ccccc4)C3)ccc2c1 c1ccc(cc1)C[*:1] COc1ccc2nc(ccc2c1)C(=O)N1CC[C@H](C1)[*:1]
O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc(F)ccc2O)CC1 Oc1ccc(F)cc1[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)C(=O)[*:1]
O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc(F)ccc2O)CC1 Clc1cccc(c1)[*:1] O=C(c1cc(F)ccc1O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)O[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1n[nH]c(C)c1CCOC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 Cc1n[nH]c(C)c1C[*:1] C[C@@H]1Oc2c(cccc2C(=O)OC[*:1])NC1=O
Cc1n[nH]c(C)c1CCOC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 Cc1n[nH]c(C)c1[*:1] C[C@@H]1Oc2c(cccc2C(=O)OCC[*:1])NC1=O
Nc1ccc(SC/C=C/Cl)cn1 ClC=C[*:1] Nc1ccc(cn1)SC[*:1]
Nc1ccc(SC/C=C/Cl)cn1 Cl/C=C/C[*:1] Nc1ccc(cn1)S[*:1]
CO[C@@H](C)C(=O)N[C@@H](CO)c1ccccc1F CO[C@@H](C)[*:1] O=C(N[C@@H](CO)c1ccccc1F)[*:1]
CC(C)COc1ccccc1NCc1nc(C(F)(F)F)cc(=O)[nH]1 CC(C)[*:1] O=c1cc(nc(CNc2ccccc2OC[*:1])[nH]1)C(F)(F)F
CC(C)COc1ccccc1NCc1nc(C(F)(F)F)cc(=O)[nH]1 CC(C)CO[*:1] O=c1cc(nc(CNc2ccccc2[*:1])[nH]1)C(F)(F)F
CC(C)COc1ccccc1NCc1nc(C(F)(F)F)cc(=O)[nH]1 FC(F)(F)[*:1] CC(C)COc1ccccc1NCc1nc(cc(=O)[nH]1)[*:1]
CC(C)COc1ccccc1NCc1nc(C(F)(F)F)cc(=O)[nH]1 CC(C)C[*:1] O=c1cc(nc(CNc2ccccc2O[*:1])[nH]1)C(F)(F)F
Cc1cc(C(=O)N2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)no1 Brc1ccc(s1)[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)CNS(=O)(=O)[*:1]
Cc1cc(C(=O)N2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)no1 Cc1cc(no1)[*:1] O=C(N1CCC(CC1)CNS(=O)(=O)c1ccc(Br)s1)[*:1]
Nc1ccc(Cl)cc1SCC(=O)NC(=O)c1ccco1 c1coc(c1)[*:1] Nc1ccc(Cl)cc1SCC(=O)NC(=O)[*:1]
C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)NCc3ccc(Cl)cc3)c1)c1cc(Cl)ccc1O2 Clc1ccc(cc1)[*:1] C[C@]12C[C@H](NC(=O)N1c1cccc(c1)C(=O)NC[*:1])c1cc(Cl)ccc1O2
C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)NCc3ccc(Cl)cc3)c1)c1cc(Cl)ccc1O2 O=C(NCc1ccc(Cl)cc1)[*:1] C[C@]12C[C@H](NC(=O)N1c1cccc(c1)[*:1])c1cc(Cl)ccc1O2
C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)NCc3ccc(Cl)cc3)c1)c1cc(Cl)ccc1O2 Clc1ccc(cc1)C[*:1] C[C@]12C[C@H](NC(=O)N1c1cccc(c1)C(=O)N[*:1])c1cc(Cl)ccc1O2
CCOC(=O)c1ccc(Oc2cncc(C)n2)cc1 CCOC(=O)[*:1] Cc1cncc(n1)Oc1ccc(cc1)[*:1]
C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)[*:1]
C[C@@H](Sc1nnc(-c2cccnc2)n1C)C(=O)N1CCc2ccccc21 c1cncc(c1)[*:1] C[C@@H](Sc1nnc(n1C)[*:1])C(=O)N1CCc2ccccc21
O=C1OC(c2ccc(I)cc2)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-] Ic1ccc(cc1)[*:1] O=C1OC(=N/C1=C\C=C\c1ccccc1[N+](=O)[O-])[*:1]
O=C1OC(c2ccc(I)cc2)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C1OC(=N/C1=C\C=C\c1ccccc1[*:1])c1ccc(I)cc1
CCCCOc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 CCCC[*:1] O=C(Nc1cccc(c1)O[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
CCCCOc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 CCC[*:1] O=C(Nc1cccc(c1)OC[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
CCCCOc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 CCCCO[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
CCCCOc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CCCCOc1cccc(c1)NC(=O)c1ccc(Cl)c(c1)[*:1]
Cc1ccc(Cc2c(C)nc3nc(C[NH+]4CCc5ccccc5C4)nn3c2[O-])cc1 Cc1ccc(cc1)C[*:1] Cc1nc2nc(C[NH+]3CCc4ccccc4C3)nn2c([O-])c1[*:1]
Cc1ccc(Cc2c(C)nc3nc(C[NH+]4CCc5ccccc5C4)nn3c2[O-])cc1 Cc1ccc(cc1)[*:1] Cc1nc2nc(C[NH+]3CCc4ccccc4C3)nn2c([O-])c1C[*:1]
CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cccc(F)c3)c(C)c2s1 CC/C(C)=N\N[*:1] Cc1cc2nc(sc2c(C)c1NC(=O)c1cccc(F)c1)[*:1]
CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cccc(F)c3)c(C)c2s1 Fc1cccc(c1)[*:1] CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)[*:1])c(C)c2s1
COc1ccc(C(=O)NCCSc2ccc(C)cc2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)NCCS[*:1]
COc1ccc(CNC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cn1 COc1ccc(cn1)[*:1] O=C(C[C@H]1Sc2ccc(cc2NC1=O)C(F)(F)F)NC[*:1]
COc1ccc(CNC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cn1 COc1ccc(cn1)C[*:1] O=C(C[C@H]1Sc2ccc(cc2NC1=O)C(F)(F)F)N[*:1]
COc1ccc(CNC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cn1 FC(F)(F)[*:1] COc1ccc(cn1)CNC(=O)C[C@H]1Sc2ccc(cc2NC1=O)[*:1]
CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)OCCO2 CCC[*:1] C[C@@H]([NH2+]Cc1ccc2OCCOc2c1)[*:1]
N#Cc1nc(/C=C/c2ccc(Cl)cc2)oc1N1CCN(C(=O)c2ccccc2Cl)CC1 Clc1ccc(C=C[*:1])cc1 N#Cc1nc(oc1N1CCN(CC1)C(=O)c1ccccc1Cl)[*:1]
N#Cc1nc(/C=C/c2ccc(Cl)cc2)oc1N1CCN(C(=O)c2ccccc2Cl)CC1 Clc1ccc(cc1)[*:1] N#Cc1nc(C=C[*:1])oc1N1CCN(CC1)C(=O)c1ccccc1Cl
N#Cc1nc(/C=C/c2ccc(Cl)cc2)oc1N1CCN(C(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] N#Cc1nc(/C=C/c2ccc(Cl)cc2)oc1N1CCN(CC1)C(=O)[*:1]
Cc1cccc([C@@H](O)CN[C@@H](C)c2ccc(Br)s2)c1 Brc1ccc(s1)[*:1] Cc1cccc(c1)[C@@H](O)CN[C@@H](C)[*:1]
Cc1cccc([C@@H](Cn2cnc3cn(C)nc3c2=O)[NH+](C)C)c1 Cc1cccc(c1)[*:1] Cn1cc2ncn(C[C@@H]([NH+](C)C)[*:1])c(=O)c2n1
Cc1nc(-c2ccc(N3CCN(C(=O)C(C)(C)Oc4ccc(Cl)cc4)CC3)[nH+]c2)no1 Clc1ccc(cc1)O[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)C(C)(C)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)C(C)(C)Oc4ccc(Cl)cc4)CC3)[nH+]c2)no1 Cc1nc(no1)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)C(C)(C)Oc4ccc(Cl)cc4)CC3)[nH+]c2)no1 Clc1ccc(cc1)[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)C(C)(C)O[*:1]
O=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccc([O-])nn1 c1csc(c1)[*:1] O=C(N[C@H](c1ccc2CCCCc2c1)[*:1])c1ccc([O-])nn1
Cc1cc(F)ccc1NC(=O)CNC(=O)[C@H]([NH3+])CC(C)C CC(C)[*:1] Cc1cc(F)ccc1NC(=O)CNC(=O)[C@H]([NH3+])C[*:1]
Cc1cc(F)ccc1NC(=O)CNC(=O)[C@H]([NH3+])CC(C)C CC(C)C[*:1] Cc1cc(F)ccc1NC(=O)CNC(=O)[C@H]([NH3+])[*:1]
COc1cccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)c1 c1ccc2sc(nc2c1)[*:1] COc1cccc(c1)C(=O)NC(=S)Nc1cc(C)c(O)c(c1)[*:1]
COc1cccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)c1 COc1cccc(c1)[*:1] Cc1cc(cc(-c2nc3ccccc3s2)c1O)NC(=S)NC(=O)[*:1]
Cc1ccc(C)c(CC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 Cc1ccc(C)c(c1)[*:1] O=C(C[*:1])Nc1nc2ccc(cc2s1)[N+](=O)[O-]
Cc1ccc(C)c(CC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)CC(=O)Nc1nc2ccc(cc2s1)[*:1]
CS(=O)(=O)Nc1ccc(N)cc1Oc1ccccc1 CS(=O)(=O)N[*:1] Nc1ccc(c(c1)Oc1ccccc1)[*:1]
CS(=O)(=O)Nc1ccc(N)cc1Oc1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)Nc1ccc(N)cc1O[*:1]
O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc(cc1)[*:1]
CCCCc1ccc(N2/C(=N/C(=O)CCC)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 CCCC[*:1] CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(cc1)[*:1]
CCCCc1ccc(N2/C(=N/C(=O)CCC)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 CCC[*:1] CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(cc1)C[*:1]
CCCCc1ccc(N2/C(=N/C(=O)CCC)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 CCC[*:1] CCCCc1ccc(cc1)N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
CN(C(=O)C[NH+](C)Cc1ccc(F)cc1F)C1CC1 C1CC1[*:1] CN(C(=O)C[NH+](C)Cc1ccc(F)cc1F)[*:1]
CCn1cc(C(=O)N(C)c2ccc3ccccc3c2)cn1 CCn1cc(cn1)[*:1] CN(C(=O)[*:1])c1ccc2ccccc2c1
Cc1ccccc1NC(=S)N(Cc1ccncc1)Cc1ccco1 c1coc(c1)C[*:1] Cc1ccccc1NC(=S)N(Cc1ccncc1)[*:1]
Cc1ccccc1NC(=S)N(Cc1ccncc1)Cc1ccco1 Cc1ccccc1[*:1] S=C(N[*:1])N(Cc1ccncc1)Cc1ccco1
Cc1ccccc1NC(=S)N(Cc1ccncc1)Cc1ccco1 c1cc(ccn1)C[*:1] Cc1ccccc1NC(=S)N(Cc1ccco1)[*:1]
Cc1ccccc1NC(=S)N(Cc1ccncc1)Cc1ccco1 c1cc(ccn1)[*:1] Cc1ccccc1NC(=S)N(Cc1ccco1)C[*:1]
Cc1ccccc1NC(=S)N(Cc1ccncc1)Cc1ccco1 c1coc(c1)[*:1] Cc1ccccc1NC(=S)N(Cc1ccncc1)C[*:1]
O=C1N=C(C(F)(F)F)N=C2CCCC[C@@H]12 FC(F)(F)[*:1] O=C1N=C(N=C2CCCC[C@@H]12)[*:1]
CCN(C(=O)N[C@@H](C)[C@@H]1CCCO1)[C@@H](C)Cc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(C(=O)N[C@@H](C)[C@@H]1CCCO1)[C@@H](C)C[*:1]
CCN(C(=O)N[C@@H](C)[C@@H]1CCCO1)[C@@H](C)Cc1ccc(OC)cc1 C1CO[C@@H](C1)[*:1] CCN(C(=O)N[C@@H](C)[*:1])[C@@H](C)Cc1ccc(cc1)OC
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)cc1F Clc1ccccc1[*:1] Cc1onc(c1C(=O)Nc1ccc(Cl)cc1F)[*:1]
C[C@@H](Cc1cccnc1)[NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 c1cncc(c1)C[*:1] C[C@@H]([NH2+]Cc1c(nc2ccc(Cl)cn12)C(=O)N1CCCCCCC1)[*:1]
C[C@@H](Cc1cccnc1)[NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 O=C(N1CCCCCCC1)[*:1] C[C@@H](Cc1cccnc1)[NH2+]Cc1c(nc2ccc(Cl)cn12)[*:1]
C[C@@H](Cc1cccnc1)[NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 c1cncc(c1)[*:1] C[C@@H](C[*:1])[NH2+]Cc1c(nc2ccc(Cl)cn12)C(=O)N1CCCCCCC1
Cc1ccsc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 Cc1ccsc1[*:1] C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)[*:1]
Cc1ccsc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1ccsc1[C@@H](C)[NH2+]CCNS(=O)(=O)[*:1]
COc1ccc2[nH]cc(C3=CCN(C(=O)[C@@H](C)NC(N)=O)CC3)c2c1 NC(=O)N[*:1] COc1ccc2[nH]cc(C3=CCN(CC3)C(=O)[C@@H](C)[*:1])c2c1
C[C@H]1CC[C@@](C[C@@H]2CCCc3ccccc32)(C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CC[C@](C1)(C[C@@H]1CCCc2ccccc21)[*:1]
CCNC(=O)C1CCN(C(=O)[C@](C)(N)C(F)(F)F)CC1 CCNC(=O)[*:1] C[C@](N)(C(=O)N1CCC(CC1)[*:1])C(F)(F)F
CCNC(=O)C1CCN(C(=O)[C@](C)(N)C(F)(F)F)CC1 FC(F)(F)[*:1] CCNC(=O)C1CCN(CC1)C(=O)[C@](C)(N)[*:1]
Cc1ccc2nc(Cl)c([C@@H]3CC(c4cccs4)=NN3C(=O)CCCC(=O)[O-])cc2c1 O=C([O-])[*:1] Cc1ccc2nc(Cl)c(cc2c1)[C@@H]1CC(=NN1C(=O)CCC[*:1])c1cccs1
Cc1ccc2nc(Cl)c([C@@H]3CC(c4cccs4)=NN3C(=O)CCCC(=O)[O-])cc2c1 c1csc(c1)[*:1] Cc1ccc2nc(Cl)c(cc2c1)[C@@H]1CC(=NN1C(=O)CCCC(=O)[O-])[*:1]
Cc1ccc2nc(Cl)c([C@@H]3CC(c4cccs4)=NN3C(=O)CCCC(=O)[O-])cc2c1 O=C([O-])C[*:1] Cc1ccc2nc(Cl)c(cc2c1)[C@@H]1CC(=NN1C(=O)CC[*:1])c1cccs1
Cc1ccc2nc(Cl)c([C@@H]3CC(c4cccs4)=NN3C(=O)CCCC(=O)[O-])cc2c1 O=C([O-])CCC[*:1] Cc1ccc2nc(Cl)c(cc2c1)[C@@H]1CC(=NN1C(=O)[*:1])c1cccs1
Cc1ccc2nc(Cl)c([C@@H]3CC(c4cccs4)=NN3C(=O)CCCC(=O)[O-])cc2c1 O=C([O-])CC[*:1] Cc1ccc2nc(Cl)c(cc2c1)[C@@H]1CC(=NN1C(=O)C[*:1])c1cccs1
Cc1ccc(C)c(CC(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)CC(=O)N[C@@H](C(=O)N1CCOCC1)[*:1]
Cc1ccc(C)c(CC(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c1 Cc1ccc(C)c(c1)[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)N1CCOCC1
Cc1ccc(C)c(CC(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c1 O=C(N1CCOCC1)[*:1] Cc1ccc(C)c(c1)CC(=O)N[C@@H](C(C)C)[*:1]
C[C@H](Oc1ccnc2c(F)cc(F)cc12)C(=O)[O-] O=C([O-])[*:1] C[C@H](Oc1ccnc2c(F)cc(F)cc12)[*:1]
Cn1c(-c2cccnc2)nn(C[NH+]2CC=C(c3ccccc3)CC2)c1=S c1cncc(c1)[*:1] Cn1c(nn(C[NH+]2CC=C(CC2)c2ccccc2)c1=S)[*:1]
Cn1c(-c2cccnc2)nn(C[NH+]2CC=C(c3ccccc3)CC2)c1=S c1ccc(cc1)[*:1] Cn1c(nn(C[NH+]2CC=C(CC2)[*:1])c1=S)-c1cccnc1
O=C(Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)Nc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] O=C(Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N[*:1]
O=C(Nc1nncc(-c2ccccc2)n1)N1CCCSCC1 c1ccc(cc1)[*:1] O=C(Nc1nncc(n1)[*:1])N1CCCSCC1
CCN(Cc1ccccc1NCC(=O)NC(=O)NC1CCCC1)C(C)=O CCN(C(C)=O)[*:1] O=C(CNc1ccccc1C[*:1])NC(=O)NC1CCCC1
CCN(Cc1ccccc1NCC(=O)NC(=O)NC1CCCC1)C(C)=O CCN(C[*:1])C(C)=O O=C(CNc1ccccc1[*:1])NC(=O)NC1CCCC1
CCN(Cc1ccccc1NCC(=O)NC(=O)NC1CCCC1)C(C)=O C1CCC(C1)[*:1] CCN(Cc1ccccc1NCC(=O)NC(=O)N[*:1])C(C)=O
CCc1cccc(C(=O)N[C@@H](C)[C@H]2CCCO2)c1O C1CO[C@H](C1)[*:1] CCc1cccc(C(=O)N[C@@H](C)[*:1])c1O
Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)nc1 Cc1ccc(nc1)[*:1] Cc1ccc(cc1C)NC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)nc1 Cc1ccc(cc1C)[*:1] Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)N[*:1]
CCS(=O)(=O)C[C@H](C)N(C)C(=O)/C=C(/C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCS(=O)(=O)C[C@H](C)N(C)C(=O)C=C(C)[*:1]
CCS(=O)(=O)C[C@H](C)N(C)C(=O)/C=C(/C)c1cccc(Cl)c1 CCS(=O)(=O)[*:1] C/C(=C/C(=O)N(C)[C@@H](C)C[*:1])c1cccc(Cl)c1
CCS(=O)(=O)C[C@H](C)N(C)C(=O)/C=C(/C)c1cccc(Cl)c1 CCS(=O)(=O)C[*:1] C/C(=C/C(=O)N(C)[C@@H](C)[*:1])c1cccc(Cl)c1
O=C(Cn1nc2c(Oc3ccc(Cl)cc3)nccn2c1=O)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(Cn1nc2c(nccn2c1=O)O[*:1])c1ccc(F)cc1
O=C(Cn1nc2c(Oc3ccc(Cl)cc3)nccn2c1=O)c1ccc(F)cc1 Clc1ccc(cc1)O[*:1] O=C(Cn1nc2c(nccn2c1=O)[*:1])c1ccc(F)cc1
O=C(Cn1nc2c(Oc3ccc(Cl)cc3)nccn2c1=O)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=c1n(C[*:1])nc2c(nccn12)Oc1ccc(Cl)cc1
O=C(Cn1nc2c(Oc3ccc(Cl)cc3)nccn2c1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1nc2c(nccn2c1=O)Oc1ccc(Cl)cc1)[*:1]
C[C@@H](Cc1ccccc1F)NC(=O)NNC(=O)C(=O)NC1CC1 Fc1ccccc1[*:1] C[C@@H](C[*:1])NC(=O)NNC(=O)C(=O)NC1CC1
C[C@@H](Cc1ccccc1F)NC(=O)NNC(=O)C(=O)NC1CC1 C1CC1[*:1] C[C@@H](Cc1ccccc1F)NC(=O)NNC(=O)C(=O)N[*:1]
CCc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(OC)cc2)n1 CCc1ccccc1[*:1] COc1ccc(cc1)C(=O)Nc1nc(cs1)CC(=O)N[*:1]
CCc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(OC)cc2)n1 COc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)Cc1csc(n1)NC(=O)[*:1]
Cc1ccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1 O=c1[nH]nc(c(=O)[nH]1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)CS[*:1]
Cc1ccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])NC(=O)CSc1n[nH]c(=O)[nH]c1=O
Cc1ccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1 O=c1[nH]nc(S[*:1])c(=O)[nH]1 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)C[*:1]
CC[NH+]1CCN([C@H](C(=O)NC(=O)NC)c2ccccc2)CC1 CNC(=O)NC(=O)[*:1] CC[NH+]1CCN(CC1)[C@H](c1ccccc1)[*:1]
CC[NH+]1CCN([C@H](C(=O)NC(=O)NC)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)[C@H](C(=O)NC(=O)NC)[*:1]
COC1(C[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] COC1(CCOCC1)C[NH2+][C@@H](C)CC(=O)N(C)[*:1]
CN(C[C@@H]1CCCO1)C(=O)c1cccc(COc2cccc(F)c2)c1 Fc1cccc(c1)O[*:1] CN(C[C@@H]1CCCO1)C(=O)c1cccc(c1)C[*:1]
CN(C[C@@H]1CCCO1)C(=O)c1cccc(COc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CN(C[C@@H]1CCCO1)C(=O)c1cccc(c1)CO[*:1]
CCCc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 CCCc1ccc(cc1)[*:1] O=C(CCc1nc2sc3CCCc3c2c(=O)[nH]1)N[*:1]
CCCc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 CCC[*:1] O=C(CCc1nc2sc3CCCc3c2c(=O)[nH]1)Nc1ccc(cc1)[*:1]
N=C1C=CC2=NC(C(=O)[O-])=C[C@@H]2C1 O=C([O-])[*:1] N=C1C=CC2=NC(=C[C@@H]2C1)[*:1]
NC(=O)[C@@H]1CNCCN1C(=O)Cc1c(F)cccc1F NC(=O)[*:1] O=C(Cc1c(F)cccc1F)N1CCNC[C@H]1[*:1]
Cc1cc(NC(=O)[C@@H](C)Nc2ccc(COC(C)(C)C)cc2)on1 CC(C)(C)O[*:1] Cc1cc(NC(=O)[C@@H](C)Nc2ccc(cc2)C[*:1])on1
Cc1cc(NC(=O)[C@@H](C)Nc2ccc(COC(C)(C)C)cc2)on1 CC(C)(C)[*:1] Cc1cc(NC(=O)[C@@H](C)Nc2ccc(cc2)CO[*:1])on1
Cc1cc(NC(=O)[C@@H](C)Nc2ccc(COC(C)(C)C)cc2)on1 CC(C)(C)OC[*:1] Cc1cc(NC(=O)[C@@H](C)Nc2ccc(cc2)[*:1])on1
Cc1cc(NC(=O)[C@@H](C)Nc2ccc(COC(C)(C)C)cc2)on1 Cc1cc(on1)[*:1] C[C@@H](Nc1ccc(cc1)COC(C)(C)C)C(=O)N[*:1]
COCc1ccc(C[NH+](C)CCN2CCCC2=O)o1 O=C1CCCN1[*:1] COCc1ccc(C[NH+](C)CC[*:1])o1
COCc1ccc(C[NH+](C)CCN2CCCC2=O)o1 COC[*:1] C[NH+](CCN1CCCC1=O)Cc1ccc(o1)[*:1]
CCOC(=O)[C@H](C)n1cnc2sc(C)c(-c3ccc(Cl)cc3)c2c1=O CCOC(=O)[*:1] Cc1sc2ncn(c(=O)c2c1-c1ccc(Cl)cc1)[C@@H](C)[*:1]
CCOC(=O)[C@H](C)n1cnc2sc(C)c(-c3ccc(Cl)cc3)c2c1=O Clc1ccc(cc1)[*:1] CCOC(=O)[C@H](C)n1cnc2sc(C)c(c2c1=O)[*:1]
CCOC(=O)[C@H](C)n1cnc2sc(C)c(-c3ccc(Cl)cc3)c2c1=O CCOC(=O)[C@H](C)[*:1] Cc1sc2ncn(c(=O)c2c1-c1ccc(Cl)cc1)[*:1]
Cc1noc(C2CCN(C(=O)c3ccccc3SCC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n1 Cc1noc(n1)[*:1] O=C(CSc1ccccc1C(=O)N1CCC(CC1)[*:1])NC12CC3CC(CC(C3)C1)C2
CCC[C@@H](CBr)c1ccccc1F CCC[*:1] Fc1ccccc1[C@H](CBr)[*:1]
O=C(Nc1nncs1)N[C@H](c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] O=C(Nc1nncs1)N[C@H](C1CCCC1)[*:1]
O=C(Nc1nncs1)N[C@H](c1ccccc1F)C1CCCC1 c1nnc(s1)[*:1] O=C(N[C@H](c1ccccc1F)C1CCCC1)N[*:1]
O=C(Nc1nncs1)N[C@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1nncs1)N[C@H](c1ccccc1F)[*:1]
COC(=O)c1cc(CSCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CSCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C
CCO[C@H](C)C(=O)Oc1cccc(Cl)c1Cl CCO[*:1] C[C@H](C(=O)Oc1cccc(Cl)c1Cl)[*:1]
CCO[C@H](C)C(=O)Oc1cccc(Cl)c1Cl CCO[C@H](C)[*:1] O=C(Oc1cccc(Cl)c1Cl)[*:1]
CC[C@H]([NH2+]CC1CCC1)c1ccc(O)cc1 C1CC(C1)[*:1] CC[C@H]([NH2+]C[*:1])c1ccc(O)cc1
CC[C@H]([NH2+]CC1CCC1)c1ccc(O)cc1 C1CC(C1)C[*:1] CC[C@H]([NH2+][*:1])c1ccc(O)cc1
COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c[nH]1 COC(=O)[*:1] C[C@H]1CCCC[C@H]1NS(=O)(=O)c1c[nH]c(c1)[*:1]
Cc1n[nH]c(C)c1NC(=O)CS(=O)(=O)c1ccc2ccccc2c1 Cc1n[nH]c(C)c1[*:1] O=C(CS(=O)(=O)c1ccc2ccccc2c1)N[*:1]
CC(C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 CC(C)[*:1] C[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)[N-]c1ccccc1Cl)[*:1]
CC(C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 CC(C)[C@H](C)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)[N-]c1ccccc1Cl
CC(C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 CC(C)[C@H](C)NC(=O)[*:1] O=S(=O)([N-]c1ccccc1Cl)c1ccc(cc1)[*:1]
CC(C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CC(C)[C@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)[N-][*:1]
Cc1nc(-n2cccc2)sc1C(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1 c1ccn(c1)[*:1] Cc1nc(sc1C(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1)[*:1]
Cc1nc(-n2cccc2)sc1C(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1 C1CCC(C1)[*:1] Cc1nc(sc1C(=O)N1CCc2nc(NC(=O)N[*:1])sc2C1)-n1cccc1
Cc1nc(-n2cccc2)sc1C(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1 O=C(NC1CCCC1)N[*:1] Cc1nc(sc1C(=O)N1CCc2nc(sc2C1)[*:1])-n1cccc1
CC(=O)C1=C(Nc2ccc(C(C)=O)cc2)CCC1=O CC(=O)[*:1] CC(=O)c1ccc(cc1)NC1CCC(=O)C=1[*:1]
CC(=O)C1=C(Nc2ccc(C(C)=O)cc2)CCC1=O CC(=O)[*:1] CC(=O)C1C(=O)CCC=1Nc1ccc(cc1)[*:1]
Cc1cc([C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C)[*:1]
Cc1cc([C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c(C)s1 Cn1cc(cn1)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)[*:1]
COc1ccc(CCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 COc1ccc(cc1)[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC[*:1]
COc1ccc(CCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CCC(=O)N1CCC[C@H]1[C@@H](C#N)[*:1]
Cc1nn(C)c(NC(=O)[C@@H](C)CCOc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1nn(C)c(NC(=O)[C@@H](C)CCO[*:1])c1C
Cc1nn(C)c(NC(=O)[C@@H](C)CCOc2ccccc2)c1C c1ccc(cc1)O[*:1] Cc1nn(C)c(NC(=O)[C@@H](C)CC[*:1])c1C
CCC1(CC)[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)[C@H](C)[C@@H]1OC CNC(=O)[*:1] CCC1(CC)[C@@H]([NH2+]Cc2ccc(cc2)[*:1])[C@H](C)[C@@H]1OC
CN(Cc1nnc(C2CC2)n1C)C(=O)CCc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)CC[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)CCc1ccc(F)c(F)c1 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)CCc1ccc(F)c(F)c1
CC(C)[C@H](C#N)OC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 FC(F)(F)[*:1] CC(C)[C@H](C#N)OC(=O)c1ccc(cc1)-n1ccc(n1)[*:1]
CC(C)[C@H](C#N)OC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 CC(C)[*:1] N#C[C@H](OC(=O)c1ccc(cc1)-n1ccc(n1)C(F)(F)F)[*:1]
CN(C(=O)C#Cc1ccccc1)c1nccs1 c1csc(n1)[*:1] CN(C(=O)C#Cc1ccccc1)[*:1]
Cc1cnc(NC(=O)N[C@H](C)c2ccccc2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccccc1
Cc1cnc(NC(=O)N[C@H](C)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cnc(NC(=O)N[C@H](C)[*:1])s1
COC(=O)c1cccc(C(=O)N2CCC[C@@H]2C2CCCC2)c1 C1CCC(C1)[*:1] COC(=O)c1cccc(c1)C(=O)N1CCC[C@H]1[*:1]
COC(=O)c1cccc(C(=O)N2CCC[C@@H]2C2CCCC2)c1 COC(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@@H]1C1CCCC1
Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2c(F)cccc2Cl)nc([O-])c1C c1csc(c1)[*:1] Cc1nc(nc([O-])c1C)-n1nc(cc1NC(=O)Cc1c(F)cccc1Cl)[*:1]
Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2c(F)cccc2Cl)nc([O-])c1C Fc1cccc(Cl)c1[*:1] Cc1nc(nc([O-])c1C)-n1nc(cc1NC(=O)C[*:1])-c1cccs1
Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2c(F)cccc2Cl)nc([O-])c1C Fc1cccc(Cl)c1C[*:1] Cc1nc(nc([O-])c1C)-n1nc(cc1NC(=O)[*:1])-c1cccs1
NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 O=C(N1CCCC1)[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 c1ccc(cc1)[*:1] NC(=O)[C@@H](N1CCN(CC1)c1ccc(c(c1)C(=O)N1CCCC1)[N+](=O)[O-])[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 NC(=O)[*:1] O=C(c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)[C@H](c1ccccc1)[*:1])N1CCCC1
NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 O=[N+]([O-])[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)c1ccc(c(c1)C(=O)N1CCCC1)[*:1]
C[C@@H]1C[NH+](Cc2ccc(-c3cccnc3)o2)C[C@H]1C c1cncc(c1)[*:1] C[C@@H]1C[NH+](Cc2ccc(o2)[*:1])C[C@H]1C
O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)C1CC1 C1CC1[*:1] O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)[*:1]
CCOC[C@H]1CCCN(C(=O)CSc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CCOC[C@H]1CCCN(C1)C(=O)CSc1cccc(c1)[*:1]
CCOC[C@H]1CCCN(C(=O)CSc2cccc(C(F)(F)F)c2)C1 CCOC[*:1] O=C(CSc1cccc(c1)C(F)(F)F)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)CSc2cccc(C(F)(F)F)c2)C1 CCO[*:1] O=C(CSc1cccc(c1)C(F)(F)F)N1CCC[C@@H](C1)C[*:1]
CCSc1ccc(Cl)cc1C(=O)N(C)C[C@H](O)COC COC[C@@H](O)[*:1] CCSc1ccc(Cl)cc1C(=O)N(C)C[*:1]
CCSc1ccc(Cl)cc1C(=O)N(C)C[C@H](O)COC CCS[*:1] COC[C@@H](O)CN(C)C(=O)c1cc(Cl)ccc1[*:1]
CCSc1ccc(Cl)cc1C(=O)N(C)C[C@H](O)COC COC[C@@H](O)C[*:1] CCSc1ccc(Cl)cc1C(=O)N(C)[*:1]
CCSc1ccc(Cl)cc1C(=O)N(C)C[C@H](O)COC COC[*:1] CCSc1ccc(Cl)cc1C(=O)N(C)C[C@H](O)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1nc2ccc(C)cc2[nH]1 CCC[*:1] Cc1ccc2nc([nH]c2c1)S[C@@H](C)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1nc2ccc(C)cc2[nH]1 CCC[C@@H](C)[*:1] Cc1ccc2nc([nH]c2c1)S[C@@H](C)C(=O)N[*:1]
O=C(Nc1ncccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] O=C(Nc1ncccc1O[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1ncccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)CO[*:1] O=C(Nc1ncccc1[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1ncccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(Nc1ncccc1OC[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1ncccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1ncccc1OCc1ccccc1)c1ccc(cc1)[*:1]
COc1ccccc1N1CCN(C(=O)C2(c3cc(-c4ccc5c(c4)OCO5)on3)CC2)CC1 c1cc2OCOc2cc1[*:1] COc1ccccc1N1CCN(CC1)C(=O)C1(CC1)c1cc(on1)[*:1]
COc1ccccc1N1CCN(C(=O)C2(c3cc(-c4ccc5c(c4)OCO5)on3)CC2)CC1 COc1ccccc1[*:1] O=C(N1CCN(CC1)[*:1])C1(CC1)c1cc(on1)-c1ccc2OCOc2c1
C[C@@H](c1ccco1)N(C)C(=O)Cn1c(=O)[nH]c2ccccc21 C[C@@H](c1ccco1)[*:1] CN(C(=O)Cn1c(=O)[nH]c2ccccc21)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)Cn1c(=O)[nH]c2ccccc21 c1coc(c1)[*:1] C[C@@H](N(C)C(=O)Cn1c(=O)[nH]c2ccccc21)[*:1]
C[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCCCC2)c1)C1CC1 C[C@@H](C1CC1)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N[*:1]
C[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCCCC2)c1)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
O=C(CSC(=S)N1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C(CSC(=S)N1CCCC1)N1CCc2ccc(cc21)[*:1]
O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21 O=C([O-])[*:1] O=C1C[C@H]2O/C(=C\CO)[C@@H](N12)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(O)cc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(OCC(=O)N1CCN(CC1)S(=O)(=O)[*:1])c1ccc(O)cc1
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(O)cc3)CC2)c(C)c1 O=C(O[*:1])c1ccc(O)cc1 Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(O)cc3)CC2)c(C)c1 Oc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)COC(=O)[*:1]
CC(=C/c1ccccc1)/C=N/N1C(=S)[NH+]=N[C@H]1c1cc[nH+]cc1 c1ccc(cc1)[*:1] CC(=C[*:1])/C=N/N1C(=S)[NH+]=N[C@H]1c1cc[nH+]cc1
Cn1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] Cn1ccc(c1)C(=O)N1C[C@@H](O)C[C@H]1c1ccc(cc1)[*:1]
Cn1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c1 Cn1ccc(c1)[*:1] O=C(N1C[C@@H](O)C[C@H]1c1ccc(cc1)C(F)(F)F)[*:1]
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 Fc1ccc(cc1)[*:1] C#CCN(C[*:1])C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 C#CC[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N(Cc1ccc(F)cc1)[*:1]
Cc1ccc(OC(F)F)c(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 FC(F)O[*:1] Cc1ccc(c(c1)CN1CCN(CC1)C(=O)C(=O)N1CCCC1)[*:1]
Cc1ccc(OC(F)F)c(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 FC(F)[*:1] Cc1ccc(O[*:1])c(c1)CN1CCN(CC1)C(=O)C(=O)N1CCCC1
Cc1ccc(-c2nnc(N3CCCC3)c3ccccc23)cc1C C1CCN(C1)[*:1] Cc1ccc(cc1C)-c1nnc(c2ccccc12)[*:1]
CC(C)=CC(=O)N1[C@H](C(=O)[O-])COC12CCCCC2 CC(C)=C[*:1] O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)[*:1]
CC(C)=CC(=O)N1[C@H](C(=O)[O-])COC12CCCCC2 O=C([O-])[*:1] CC(C)=CC(=O)N1[C@H](COC12CCCCC2)[*:1]
Cc1cccc(-c2nc(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cs2)c1 Cc1cccc(c1)[*:1] O=C(Cc1csc(n1)[*:1])N1CC[C@]2(O)CCCC[C@H]2C1
CC(C)[C@@H](O)CCc1nccs1 CC(C)[*:1] O[C@@H](CCc1nccs1)[*:1]
CCOc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)cc1 CCO[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
CCOc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
CCOc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)-c1csc(n1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCC(=O)N1CCC[C@H](C(=O)N(C)CCc2cccs2)C1 c1csc(c1)CC[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)N(C)[*:1]
CCC(=O)N1CCC[C@H](C(=O)N(C)CCc2cccs2)C1 c1csc(c1)C[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)N(C)C[*:1]
CCC(=O)N1CCC[C@H](C(=O)N(C)CCc2cccs2)C1 c1csc(c1)[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)N(C)CC[*:1]
OCC1(CNc2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 OCC1(CC1)CN[*:1] Fc1ccc(cc1)-c1cn2nc(sc2n1)[*:1]
OCC1(CNc2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 OCC1(CC1)[*:1] Fc1ccc(cc1)-c1cn2nc(NC[*:1])sc2n1
OCC1(CNc2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 Fc1ccc(cc1)[*:1] OCC1(CC1)CNc1nn2cc(nc2s1)[*:1]
OCC1(CNc2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 OCC1(CC1)C[*:1] Fc1ccc(cc1)-c1cn2nc(N[*:1])sc2n1
CCc1nnc(NC(=O)[C@@H]2NN(c3cccc(Cl)c3)C=CC2=O)s1 CCc1nnc(s1)[*:1] O=C1C=CN(N[C@H]1C(=O)N[*:1])c1cccc(Cl)c1
CCc1nnc(NC(=O)[C@@H]2NN(c3cccc(Cl)c3)C=CC2=O)s1 Clc1cccc(c1)[*:1] CCc1nnc(NC(=O)[C@@H]2NN(C=CC2=O)[*:1])s1
CCCC1=C[C@@H](C(=O)NC[C@H]2CCCC[C@H]2O)N=N1 CCC[*:1] O=C(NC[C@H]1CCCC[C@H]1O)[C@@H]1C=C(N=N1)[*:1]
Cc1cnn(-c2ccc(C(=O)OCC(=O)N3CCCCCC3)cc2)c1 Cc1cnn(c1)[*:1] O=C(OCC(=O)N1CCCCCC1)c1ccc(cc1)[*:1]
C[C@@H](Nc1ncnc2nc(N)ccc12)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](Nc1ncnc2nc(N)ccc12)[*:1]
COc1ccc(-c2ccc(C(=O)N3CCC(=O)N(CCOc4ccc(F)cc4)CC3)o2)cc1 Fc1ccc(cc1)OCC[*:1] COc1ccc(cc1)-c1ccc(o1)C(=O)N1CCC(=O)N(CC1)[*:1]
COc1ccc(-c2ccc(C(=O)N3CCC(=O)N(CCOc4ccc(F)cc4)CC3)o2)cc1 COc1ccc(cc1)[*:1] O=C1CCN(CCN1CCOc1ccc(F)cc1)C(=O)c1ccc(o1)[*:1]
COc1ccc(-c2ccc(C(=O)N3CCC(=O)N(CCOc4ccc(F)cc4)CC3)o2)cc1 Fc1ccc(cc1)O[*:1] COc1ccc(cc1)-c1ccc(o1)C(=O)N1CCC(=O)N(CC1)CC[*:1]
COc1ccc(-c2ccc(C(=O)N3CCC(=O)N(CCOc4ccc(F)cc4)CC3)o2)cc1 Fc1ccc(cc1)OC[*:1] COc1ccc(cc1)-c1ccc(o1)C(=O)N1CCC(=O)N(CC1)C[*:1]
COc1ccc(-c2ccc(C(=O)N3CCC(=O)N(CCOc4ccc(F)cc4)CC3)o2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1ccc(o1)C(=O)N1CCC(=O)N(CCO[*:1])CC1
CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N[C@@H]2CCCC2(C)C)c1 CN(C)S(=O)(=O)[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1cc(ccc1F)[*:1]
C=CCOc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] C=CCOc1ccc(cc1)C(=O)NNC(=O)C[*:1]
C=CCOc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1 C=CC[*:1] O=C(Cc1ccccc1)NNC(=O)c1ccc(cc1)O[*:1]
C=CCOc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1 C=CCO[*:1] O=C(Cc1ccccc1)NNC(=O)c1ccc(cc1)[*:1]
C=CCOc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] C=CCOc1ccc(cc1)C(=O)NNC(=O)[*:1]
C=CCCCN(C)c1ccc2cc(C#N)ccc2n1 C=CCCC[*:1] CN(c1ccc2cc(C#N)ccc2n1)[*:1]
C=CCCCN(C)c1ccc2cc(C#N)ccc2n1 C=CC[*:1] CN(CC[*:1])c1ccc2cc(C#N)ccc2n1
C=CCCCN(C)c1ccc2cc(C#N)ccc2n1 C=CCC[*:1] CN(C[*:1])c1ccc2cc(C#N)ccc2n1
Cc1ccc([C@H](C)CNC(=O)NCc2cc(=O)[nH]c3ccccc23)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)NCc1cc(=O)[nH]c2ccccc12)[*:1]
O=C(OC1CCC1)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(OC1CCC1)c1cnn(c1)[*:1]
O=C(OC1CCC1)c1cnn(-c2ccccc2)c1 C1CC(C1)[*:1] O=C(O[*:1])c1cnn(c1)-c1ccccc1
N#CN(Cc1ccc(Cl)cc1)c1nccc(-c2ccccc2)n1 c1ccc(cc1)[*:1] N#CN(Cc1ccc(Cl)cc1)c1nccc(n1)[*:1]
N#CN(Cc1ccc(Cl)cc1)c1nccc(-c2ccccc2)n1 Clc1ccc(cc1)[*:1] N#CN(C[*:1])c1nccc(n1)-c1ccccc1
O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cn2ncsc2=S)CC1 S=c1scnn1C[*:1] O=S(=O)(c1ccc2ccccc2c1)N1CCN(CC1)[*:1]
Cc1cc(C(=O)CCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)s1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C[*:1])c(C)s1
Cc1cc(C(=O)CCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)s1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)[*:1])c(C)s1
Cc1cc(C(=O)CCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CCC(=O)[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
Cc1cc(C(=O)CCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)s1 Cc1cc(C(=O)[*:1])c(C)s1 O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
CCc1cc(C#N)c(NC(=O)Cc2cc(C)on2)s1 Cc1cc(no1)[*:1] CCc1cc(C#N)c(NC(=O)C[*:1])s1
O=C(CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NCc1cccc(Cl)c1 O=C(NCc1cccc(Cl)c1)[*:1] O=c1c2ccccc2n2c(nnc2n1Cc1ccccc1)SC[*:1]
O=C(CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NCc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(CSc1nnc2n(C[*:1])c(=O)c3ccccc3n12)NCc1cccc(Cl)c1
O=C(CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NCc1cccc(Cl)c1 c1ccc(cc1)C[*:1] O=C(CSc1nnc2n(c(=O)c3ccccc3n12)[*:1])NCc1cccc(Cl)c1
O=C(CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C(CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)N[*:1]
O=C(CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NC[*:1]
Cc1ccc(-c2noc(C[S@@](=O)Cc3cccc4ccccc34)n2)cc1 Cc1ccc(cc1)[*:1] O=[S@](Cc1nc(no1)[*:1])Cc1cccc2ccccc12
C[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](c1ncon1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 C[C@H]1CCCC[C@H]1[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N[*:1]
COc1cccc(OC)c1OCc1ncc(-c2ccccc2Cl)o1 Clc1ccccc1[*:1] COc1cccc(OC)c1OCc1ncc(o1)[*:1]
Cc1ccc([C@@H](NC(=O)c2cc(C)no2)C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] Cc1cc(on1)C(=O)N[C@@H](C(F)(F)F)[*:1]
Cc1ccc([C@@H](NC(=O)c2cc(C)no2)C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)c1cc(C)no1)[*:1]
Cc1ccc([C@@H](NC(=O)c2cc(C)no2)C(F)(F)F)cc1 Cc1cc(on1)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)[*:1])C(F)(F)F
COc1ccc([C@H](C)COC(=O)c2cn(C)nc2C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H](C)COC(=O)c1cn(C)nc1[*:1]
COc1ccc([C@H](C)COC(=O)c2cn(C)nc2C(F)(F)F)cc1 COc1ccc(cc1)[*:1] C[C@H](COC(=O)c1cn(C)nc1C(F)(F)F)[*:1]
CN(C)/C=C/C(=O)/C=C\c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] CN(C)/C=C/C(=O)/C=C\c1ncc(cc1Cl)[*:1]
CN(C)/C=C/C(=O)/C=C\c1ncc(C(F)(F)F)cc1Cl CN(C)[*:1] O=C(/C=C\c1ncc(cc1Cl)C(F)(F)F)C=C[*:1]
CN(C)/C=C/C(=O)/C=C\c1ncc(C(F)(F)F)cc1Cl CN(C)C=C[*:1] O=C(/C=C\c1ncc(cc1Cl)C(F)(F)F)[*:1]
O[C@@H](CC[C@@H]1COc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](CC[C@@H]1COc2ccccc21)[*:1]
Fc1ccc2ccc(NCCc3ccc(-n4cccn4)cc3)nc2c1 c1cnn(c1)[*:1] Fc1ccc2ccc(nc2c1)NCCc1ccc(cc1)[*:1]
CC(C)[NH2+][C@]1(CO)CCC[C@@H]([NH+]2CCCCCC2)C1 CC(C)[NH2+][*:1] OC[C@@]1(CCC[C@H](C1)[NH+]1CCCCCC1)[*:1]
CC(C)[NH2+][C@]1(CO)CCC[C@@H]([NH+]2CCCCCC2)C1 CC(C)[*:1] OC[C@]1(CCC[C@H](C1)[NH+]1CCCCCC1)[NH2+][*:1]
COc1ccc(-c2nnc3n2N[C@@H]([C@H]2C=c4ccccc4=[NH+]2)S3)cc1 COc1ccc(cc1)[*:1] C1=c2ccccc2=[NH+][C@H]1[C@@H]1Nn2c(nnc2[*:1])S1
O=C(Cc1ccncc1)NNC(=O)C[C@@H]1OCCc2ccccc21 c1cc(ccn1)C[*:1] O=C(C[C@@H]1OCCc2ccccc21)NNC(=O)[*:1]
O=C(Cc1ccncc1)NNC(=O)C[C@@H]1OCCc2ccccc21 c1cc(ccn1)[*:1] O=C(C[C@@H]1OCCc2ccccc21)NNC(=O)C[*:1]
COc1cccc(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] COc1cccc(c1)S(=O)(=O)[C@H](C)C(=O)N[*:1]
COc1cccc(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(F)cc2F)c1 COc1cccc(c1)[*:1] C[C@H](C(=O)Nc1ccc(F)cc1F)S(=O)(=O)[*:1]
O=C(Cc1cccs1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 c1ccc(cc1)[*:1] O=C(Cc1cccs1)NCCOc1ccc2nnc(n2n1)[*:1]
O=C(Cc1cccs1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 O=C(Cc1cccs1)N[*:1] c1ccc(cc1)-c1nnc2ccc(nn12)OCC[*:1]
O=C(Cc1cccs1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 c1csc(c1)[*:1] O=C(C[*:1])NCCOc1ccc2nnc(-c3ccccc3)n2n1
O=C(Cc1cccs1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 c1csc(c1)C[*:1] O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)[*:1]
O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cc[nH]n1 Clc1ccccc1[*:1] O=C(CCc1ncc(o1)[*:1])Nc1cc[nH]n1
O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cc[nH]n1 c1cc(n[nH]1)[*:1] O=C(CCc1ncc(o1)-c1ccccc1Cl)N[*:1]
O=C(Nc1ccccc1)N1CC(c2nc(-c3ccccc3)no2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)N1CC(C1)c1nc(no1)[*:1]
O=C(Nc1ccccc1)N1CC(c2nc(-c3ccccc3)no2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])N1CC(C1)c1nc(no1)-c1ccccc1
O[C@H](C[C@@H]1CCO[C@]2(CCSC2)C1)C1CC1 O[C@H](C1CC1)[*:1] C1C[C@H](C[C@@]2(CCSC2)O1)C[*:1]
O[C@H](C[C@@H]1CCO[C@]2(CCSC2)C1)C1CC1 C1CC1[*:1] O[C@H](C[C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CC(C)[C@@H](NC(=O)NCCc1cccs1)c1ccccc1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)NCC[*:1])c1ccccc1
CC(C)[C@@H](NC(=O)NCCc1cccs1)c1ccccc1 c1csc(c1)CC[*:1] CC(C)[C@@H](NC(=O)N[*:1])c1ccccc1
CC(C)[C@@H](NC(=O)NCCc1cccs1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)NCCc1cccs1)[*:1]
CC(C)[C@@H](NC(=O)NCCc1cccs1)c1ccccc1 CC(C)[*:1] O=C(NCCc1cccs1)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)NCCc1cccs1)c1ccccc1 c1csc(c1)C[*:1] CC(C)[C@@H](NC(=O)NC[*:1])c1ccccc1
Cc1ccc(O)c(-n2cc3c(c2-c2cccc(Br)c2)c(=O)n(C)c(=O)n3C)c1 Cc1ccc(O)c(c1)[*:1] Cn1c(=O)c2c(-c3cccc(Br)c3)n(cc2n(C)c1=O)[*:1]
Cc1ccc(O)c(-n2cc3c(c2-c2cccc(Br)c2)c(=O)n(C)c(=O)n3C)c1 Brc1cccc(c1)[*:1] Cc1ccc(O)c(c1)-n1cc2c(c1[*:1])c(=O)n(C)c(=O)n2C
COc1cc(Cl)c(C)cc1NC(=O)C(=O)NCc1cccc(OC(F)F)c1 FC(F)O[*:1] COc1cc(Cl)c(C)cc1NC(=O)C(=O)NCc1cccc(c1)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)C(=O)NCc1cccc(OC(F)F)c1 FC(F)[*:1] COc1cc(Cl)c(C)cc1NC(=O)C(=O)NCc1cccc(c1)O[*:1]
CCc1ccc(N/C(=N/c2cccc(OC)c2)[n+]2sc(C)cc2N)cc1 COc1cccc(c1)[*:1] CCc1ccc(cc1)NC(=N[*:1])[n+]1sc(C)cc1N
CCc1ccc(N/C(=N/c2cccc(OC)c2)[n+]2sc(C)cc2N)cc1 CCc1ccc(cc1)[*:1] COc1cccc(c1)/N=C(/N[*:1])[n+]1sc(C)cc1N
CC(C)c1ocnc1COc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)c1ocnc1COc1cccc(c1)[*:1]
CC(C)c1ocnc1COc1cccc(C(F)(F)F)c1 CC(C)[*:1] FC(F)(F)c1cccc(c1)OCc1ncoc1[*:1]
COCCN(CC(C)C)[C@@H]1CCC[C@H]([NH3+])C1 COCC[*:1] CC(C)CN([C@@H]1CCC[C@H]([NH3+])C1)[*:1]
COCCN(CC(C)C)[C@@H]1CCC[C@H]([NH3+])C1 CC(C)[*:1] COCCN(C[*:1])[C@@H]1CCC[C@H]([NH3+])C1
COCCN(CC(C)C)[C@@H]1CCC[C@H]([NH3+])C1 CC(C)C[*:1] COCCN([C@@H]1CCC[C@H]([NH3+])C1)[*:1]
COCCN(CC(C)C)[C@@H]1CCC[C@H]([NH3+])C1 COC[*:1] CC(C)CN(C[*:1])[C@@H]1CCC[C@H]([NH3+])C1
CC(C)c1n[nH]c(C(=O)N(CCC(N)=O)c2ccccc2)c1Br NC(=O)[*:1] CC(C)c1n[nH]c(C(=O)N(CC[*:1])c2ccccc2)c1Br
CC(C)c1n[nH]c(C(=O)N(CCC(N)=O)c2ccccc2)c1Br NC(=O)C[*:1] CC(C)c1n[nH]c(C(=O)N(C[*:1])c2ccccc2)c1Br
CC(C)c1n[nH]c(C(=O)N(CCC(N)=O)c2ccccc2)c1Br c1ccc(cc1)[*:1] CC(C)c1n[nH]c(C(=O)N(CCC(N)=O)[*:1])c1Br
CC(C)c1n[nH]c(C(=O)N(CCC(N)=O)c2ccccc2)c1Br NC(=O)CC[*:1] CC(C)c1n[nH]c(C(=O)N(c2ccccc2)[*:1])c1Br
CC(C)c1n[nH]c(C(=O)N(CCC(N)=O)c2ccccc2)c1Br CC(C)[*:1] NC(=O)CCN(C(=O)c1[nH]nc(c1Br)[*:1])c1ccccc1
C[C@H](CNC(=O)Cc1noc2ccccc12)Oc1ccccc1Cl Clc1ccccc1[*:1] C[C@H](CNC(=O)Cc1noc2ccccc12)O[*:1]
C[C@H](CNC(=O)Cc1noc2ccccc12)Oc1ccccc1Cl Clc1ccccc1O[*:1] C[C@H](CNC(=O)Cc1noc2ccccc12)[*:1]
Oc1ccc(Br)cc1C(=S)N1CCN(C(=S)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] Oc1ccc(Br)cc1C(=S)N1CCN(CC1)C(=S)N[*:1]
Oc1ccc(Br)cc1C(=S)N1CCN(C(=S)Nc2ccccc2)CC1 Oc1ccc(Br)cc1[*:1] S=C(Nc1ccccc1)N1CCN(CC1)C(=S)[*:1]
O=C(NC1CC1)c1ccc(-c2cccc([C@@H]3C=CN=[NH+]3)c2)o1 C1CC1[*:1] O=C(N[*:1])c1ccc(o1)-c1cccc(c1)[C@@H]1C=CN=[NH+]1
O=C(NC1CC1)c1ccc(-c2cccc([C@@H]3C=CN=[NH+]3)c2)o1 O=C(NC1CC1)[*:1] C1=C[C@H]([NH+]=N1)c1cccc(c1)-c1ccc(o1)[*:1]
O=[N+]([O-])c1c(Nc2ccc(Br)cc2F)ncnc1N1CCOCC1 Fc1cc(Br)ccc1[*:1] O=[N+]([O-])c1c(ncnc1N1CCOCC1)N[*:1]
O=[N+]([O-])c1c(Nc2ccc(Br)cc2F)ncnc1N1CCOCC1 O=[N+]([O-])[*:1] Fc1cc(Br)ccc1Nc1ncnc(c1[*:1])N1CCOCC1
O=[N+]([O-])c1c(Nc2ccc(Br)cc2F)ncnc1N1CCOCC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccc(Br)cc1F
CC(C)c1ccc(SCCc2cccc[n+]2CC(=O)c2ccccc2)cc1 O=C(C[*:1])c1ccccc1 CC(C)c1ccc(cc1)SCCc1cccc[n+]1[*:1]
CC(C)c1ccc(SCCc2cccc[n+]2CC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)SCCc1cccc[n+]1CC(=O)[*:1]
CC(C)c1ccc(SCCc2cccc[n+]2CC(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] CC(C)c1ccc(cc1)SCCc1cccc[n+]1C[*:1]
CC(C)c1ccc(SCCc2cccc[n+]2CC(=O)c2ccccc2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(C[n+]1ccccc1CCS[*:1])c1ccccc1
CC(C)c1ccc(SCCc2cccc[n+]2CC(=O)c2ccccc2)cc1 CC(C)[*:1] O=C(C[n+]1ccccc1CCSc1ccc(cc1)[*:1])c1ccccc1
C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)n1cccn1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCN(CC1)C(=O)[*:1])n1cccn1
C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N1CCN(CC1)C(=O)c1ccccc1)[*:1]
C[C@@H](NC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1[nH]c2ccccc2[nH+]1
C[C@@H](NC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)c1[nH]c2ccccc2[nH+]1)[*:1]
Cc1c(F)cccc1NC(=O)C(=O)NCCCSc1ccccc1 c1ccc(cc1)S[*:1] Cc1c(F)cccc1NC(=O)C(=O)NCCC[*:1]
Cc1c(F)cccc1NC(=O)C(=O)NCCCSc1ccccc1 c1ccc(cc1)SC[*:1] Cc1c(F)cccc1NC(=O)C(=O)NCC[*:1]
Cc1c(F)cccc1NC(=O)C(=O)NCCCSc1ccccc1 Cc1c(F)cccc1[*:1] O=C(NCCCSc1ccccc1)C(=O)N[*:1]
Cc1c(F)cccc1NC(=O)C(=O)NCCCSc1ccccc1 c1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)C(=O)NCCCS[*:1]
NC(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1 c1ccc(cc1)[*:1] NC(=O)N1CCN(CC1)c1nc(cs1)[*:1]
NNC(=O)Cc1nc2ccccc2o1 NNC(=O)[*:1] c1ccc2oc(C[*:1])nc2c1
CCCC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCCC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](C1)[*:1]
CCCC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 CCC[*:1] O=C([C@@H]1CSCN1C(=O)[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
COC(=O)c1ccccc1C[NH+](C)C1CCC1 COC(=O)[*:1] C[NH+](Cc1ccccc1[*:1])C1CCC1
COC(=O)c1ccccc1C[NH+](C)C1CCC1 C1CC(C1)[*:1] COC(=O)c1ccccc1C[NH+](C)[*:1]
Cc1c(C(=O)N(C)c2ccccc2Cl)oc2c1/C(=N/O)CC(C)(C)C2 Clc1ccccc1[*:1] Cc1c(oc2CC(C)(C)C/C(=N\O)c21)C(=O)N(C)[*:1]
Cc1ccc(-c2nnc(S[C@@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)n2C)cc1 Cc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])S[C@@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O
Cc1ccc(-c2nnc(S[C@@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)n2C)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(S[C@@H]2CCCCN(C2=O)C(=O)[*:1])n1C
CC(=O)OC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 c1cncc(c1)[*:1] CC(=O)OC1CC[NH+](CC1)Cc1cn(nc1[*:1])-c1ccccc1
CC(=O)OC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 CC(=O)O[*:1] c1ccc(cc1)-n1cc(C[NH+]2CCC(CC2)[*:1])c(n1)-c1cccnc1
CC(=O)OC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 c1ccc(cc1)[*:1] CC(=O)OC1CC[NH+](CC1)Cc1cn(nc1-c1cccnc1)[*:1]
CCCOc1ccc(NC(=O)CNc2cccc(C)c2)cc1 CCCO[*:1] Cc1cccc(c1)NCC(=O)Nc1ccc(cc1)[*:1]
CCCOc1ccc(NC(=O)CNc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CCCOc1ccc(cc1)NC(=O)CN[*:1]
CCCOc1ccc(NC(=O)CNc2cccc(C)c2)cc1 CCC[*:1] Cc1cccc(c1)NCC(=O)Nc1ccc(cc1)O[*:1]
Cc1cc([N-]S(=O)(=O)/C=C/c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)[N-]S(=O)(=O)C=C[*:1]
Cc1cc([N-]S(=O)(=O)/C=C/c2ccccc2)no1 Cc1cc(no1)[*:1] O=S(=O)(/C=C/c1ccccc1)[N-][*:1]
COc1ccc(C(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(C(C)=O)cc2)cc1 CC(=O)[*:1] COc1ccc(cc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(cc1)[*:1]
COc1ccc(C(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(C(C)=O)cc2)cc1 CC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
COc1ccc(C(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(C(C)=O)cc2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1/C(=N\C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
O=C(N1C[C@@H]2CCCC[C@@]21c1ccccc1)C1(Br)CCC1 c1ccc(cc1)[*:1] O=C(N1C[C@@H]2CCCC[C@@]21[*:1])C1(Br)CCC1
O=C(N1C[C@@H]2CCCC[C@@]21c1ccccc1)C1(Br)CCC1 BrC1(CCC1)[*:1] O=C(N1C[C@@H]2CCCC[C@@]21c1ccccc1)[*:1]
CCCC[NH+]1CCC(OCc2ccc(F)cc2)CC1 CCCC[*:1] Fc1ccc(cc1)COC1CC[NH+](CC1)[*:1]
CCCC[NH+]1CCC(OCc2ccc(F)cc2)CC1 CCC[*:1] Fc1ccc(cc1)COC1CC[NH+](CC1)C[*:1]
CCc1nnc(NC(=O)NCc2cccc(C[NH+](C)C)c2)s1 CCc1nnc(s1)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)N[*:1]
Cc1nn(C)c(C)c1[C@H](C)N1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccco1 O=C([O-])[*:1] Cc1nn(C)c(C)c1[C@H](C)N1C(=O)CC[C@@H]([C@@H]1c1ccco1)[*:1]
Cc1nn(C)c(C)c1[C@H](C)N1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccco1 Cc1nn(C)c(C)c1[*:1] C[C@H](N1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccco1)[*:1]
Cc1nn(C)c(C)c1[C@H](C)N1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccco1 c1coc(c1)[*:1] Cc1nn(C)c(C)c1[C@H](C)N1C(=O)CC[C@@H](C(=O)[O-])[C@H]1[*:1]
Cc1nnnn1-c1cc(N)ccc1C(=O)O[C@@H](C)C(=O)NCC(C)C CC(C)CNC(=O)[*:1] Cc1nnnn1-c1cc(N)ccc1C(=O)O[C@@H](C)[*:1]
Cc1nnnn1-c1cc(N)ccc1C(=O)O[C@@H](C)C(=O)NCC(C)C CC(C)C[*:1] Cc1nnnn1-c1cc(N)ccc1C(=O)O[C@@H](C)C(=O)N[*:1]
Cc1nnnn1-c1cc(N)ccc1C(=O)O[C@@H](C)C(=O)NCC(C)C CC(C)[*:1] Cc1nnnn1-c1cc(N)ccc1C(=O)O[C@@H](C)C(=O)NC[*:1]
Cc1nnnn1-c1cc(N)ccc1C(=O)O[C@@H](C)C(=O)NCC(C)C Cc1nnnn1[*:1] CC(C)CNC(=O)[C@H](C)OC(=O)c1ccc(N)cc1[*:1]
CC(C)Oc1cc(C(=O)NCCC[NH+](C)C)cc2occc12 CC(C)O[*:1] C[NH+](C)CCCNC(=O)c1cc(c2ccoc2c1)[*:1]
CC(C)Oc1cc(C(=O)NCCC[NH+](C)C)cc2occc12 CC(C)[*:1] C[NH+](C)CCCNC(=O)c1cc(O[*:1])c2ccoc2c1
COc1ccc2oc([C@H](C)NC(=O)C(=O)Nc3ccn(C)n3)c(C)c2c1 Cn1ccc(n1)[*:1] COc1ccc2oc(c(C)c2c1)[C@H](C)NC(=O)C(=O)N[*:1]
O=C([O-])COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 O=C([O-])CO[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C([O-])COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C([O-])COc1ccccc1NC(=O)c1ccc(cc1)[*:1]
O=C([O-])COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 O=C([O-])[*:1] O=C(Nc1ccccc1OC[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C([O-])COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 O=C([O-])C[*:1] O=C(Nc1ccccc1O[*:1])c1ccc(cc1)[N+](=O)[O-]
CNS(=O)(=O)c1ccc(N(C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 Cc1ccc(C[*:1])o1 CNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)[*:1]
CNS(=O)(=O)c1ccc(N(C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNS(=O)(=O)c1ccc(c(c1)[*:1])N(C)Cc1ccc(C)o1
CNS(=O)(=O)c1ccc(N(C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 CNS(=O)(=O)[*:1] Cc1ccc(CN(C)c2ccc(cc2[N+](=O)[O-])[*:1])o1
CNS(=O)(=O)c1ccc(N(C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 Cc1ccc(o1)[*:1] CNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C[*:1]
CCOc1ccc(NC(=O)c2cccc(C#N)c2)cn1 CCO[*:1] N#Cc1cccc(c1)C(=O)Nc1ccc(nc1)[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@H]2c2cccc(Cl)c2)nc1C COC(=O)c1sc(nc1C)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1cccc(Cl)c1)[*:1])c1ccncc1
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@H]2c2cccc(Cl)c2)nc1C COC(=O)[*:1] Cc1nc(sc1[*:1])N1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@H]1c1cccc(Cl)c1
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@H]2c2cccc(Cl)c2)nc1C c1cc(ccn1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccc(Cl)c1
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@H]2c2cccc(Cl)c2)nc1C Clc1cccc(c1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@@H]1[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@H]2c2cccc(Cl)c2)nc1C O=C(c1ccncc1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C([C@H]1c1cccc(Cl)c1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 O=C([O-])[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)c(c1)[*:1]
O=C(COc1ccc(F)cc1F)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(COc1ccc(F)cc1F)Nc1ccc(cc1)[*:1]
Cc1ccc(O)c(S(=O)(=O)Nc2ccccc2N2CCOC2=O)c1 O=C1OCCN1[*:1] Cc1ccc(O)c(c1)S(=O)(=O)Nc1ccccc1[*:1]
Cc1ccc(O)c(S(=O)(=O)Nc2ccccc2N2CCOC2=O)c1 Cc1ccc(O)c(c1)[*:1] O=C1OCCN1c1ccccc1NS(=O)(=O)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C1)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 Cc1ccn(C)c(=O)c1[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)C(=O)N[*:1]
Cc1cc(-c2nnc(NC(=O)CN3C(=O)CCC3=O)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(CN1C(=O)CCC1=O)Nc1nnc(o1)[*:1]
Cc1cc(-c2nnc(NC(=O)CN3C(=O)CCC3=O)o2)c(C)o1 O=C1CCC(=O)N1[*:1] Cc1cc(-c2nnc(NC(=O)C[*:1])o2)c(C)o1
O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] O=C(Nc1cc(nn1-c1nc2CCCCc2c(=O)[nH]1)-c1ccco1)[*:1]
O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCCC2)c1cccc2ccccc12 c1coc(c1)[*:1] O=C(Nc1cc(nn1-c1nc2CCCCc2c(=O)[nH]1)[*:1])c1cccc2ccccc12
NS(=O)(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 NS(=O)(=O)[*:1] Clc1ccc(-c2csc(n2)-c2ccc(cc2)[*:1])c(Cl)c1
Cc1ncsc1C(=O)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 c1cn(cn1)[*:1] Cc1ncsc1C(=O)N1CCC[C@@H]1c1cncc(n1)[*:1]
Cc1ncsc1C(=O)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 Cc1ncsc1[*:1] O=C(N1CCC[C@@H]1c1cncc(n1)-n1ccnc1)[*:1]
CCCC[NH+](C)C1CCN(C(=S)Nc2ccc(C)cc2C)CC1 CCC[*:1] Cc1ccc(NC(=S)N2CCC(CC2)[NH+](C)C[*:1])c(C)c1
CCCC[NH+](C)C1CCN(C(=S)Nc2ccc(C)cc2C)CC1 CCCC[*:1] Cc1ccc(NC(=S)N2CCC(CC2)[NH+](C)[*:1])c(C)c1
CCCCc1ccc2c(N)c(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)sc2n1 O=C([O-])[*:1] CCCCc1ccc2c(N)c(sc2n1)C(=O)Nc1ccc(O)c(c1)[*:1]
CCCCc1ccc2c(N)c(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)sc2n1 CCC[*:1] Nc1c(sc2nc(ccc12)C[*:1])C(=O)Nc1ccc(O)c(c1)C(=O)[O-]
CCCCc1ccc2c(N)c(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)sc2n1 CCCC[*:1] Nc1c(sc2nc(ccc12)[*:1])C(=O)Nc1ccc(O)c(c1)C(=O)[O-]
O=S(=O)(NC[C@H](c1c[nH]c2ccccc12)[C@@H]1CC=CS1)c1ccc2c(c1)OCCCO2 c1ccc2c(c[nH]c2c1)[*:1] O=S(=O)(NC[C@H]([C@@H]1CC=CS1)[*:1])c1ccc2OCCCOc2c1
CCOc1cccc2cc(C(N)=O)/c(=[NH+]/c3cccc(C(F)(F)F)c3)oc12 FC(F)(F)[*:1] CCOc1cccc2cc(C(N)=O)/c(=[NH+]/c3cccc(c3)[*:1])oc12
CCOc1cccc2cc(C(N)=O)/c(=[NH+]/c3cccc(C(F)(F)F)c3)oc12 NC(=O)[*:1] CCOc1cccc2cc(/c(=[NH+]/c3cccc(c3)C(F)(F)F)oc12)[*:1]
CCOc1cccc2cc(C(N)=O)/c(=[NH+]/c3cccc(C(F)(F)F)c3)oc12 CCO[*:1] NC(=O)c1cc2cccc(c2o/c1=[NH+]\c1cccc(c1)C(F)(F)F)[*:1]
COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 Fc1ccc(cc1)[*:1] COC(=O)[C@@]1(N[C@H](c2ccccc2F)[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1])c1ccccc1
COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 Fc1ccccc1[*:1] COC(=O)[C@@]1(N[C@H]([C@H]2C(=O)N(C(=O)[C@@H]21)c1ccc(F)cc1)[*:1])c1ccccc1
COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 c1ccc(cc1)[*:1] COC(=O)[C@@]1(N[C@H](c2ccccc2F)[C@H]2C(=O)N(C(=O)[C@@H]21)c1ccc(F)cc1)[*:1]
COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 COC(=O)[*:1] O=C1[C@@H]2[C@H](N[C@@](c3ccccc3)([C@H]2C(=O)N1c1ccc(F)cc1)[*:1])c1ccccc1F
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2Cl)c1 Cc1ccc(c(Cl)c1)[*:1] C=CCNS(=O)(=O)c1cccc(c1)C(=O)N[*:1]
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2Cl)c1 C=CCNS(=O)(=O)[*:1] Cc1ccc(NC(=O)c2cccc(c2)[*:1])c(Cl)c1
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2Cl)c1 C=CC[*:1] Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N[*:1])c(Cl)c1
Cc1ccc([C@H]2OCCC[C@H]2NC(=O)Cn2cnnn2)cc1 c1nnnn1[*:1] Cc1ccc(cc1)[C@H]1OCCC[C@H]1NC(=O)C[*:1]
Cc1ccc([C@H]2OCCC[C@H]2NC(=O)Cn2cnnn2)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1cnnn1)N[C@@H]1CCCO[C@@H]1[*:1]
Cc1ccc([C@H]2OCCC[C@H]2NC(=O)Cn2cnnn2)cc1 c1nnnn1C[*:1] Cc1ccc(cc1)[C@H]1OCCC[C@H]1NC(=O)[*:1]
C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CCC(=O)[*:1])c1ccc2OCCOc2c1
O=C1c2cccc3cc(Br)cc(c23)C(=O)N1c1ccccc1O Oc1ccccc1[*:1] O=C1c2cccc3cc(Br)cc(C(=O)N1[*:1])c23
COc1cc(F)cc(CNC(=O)C(=O)Nc2cc(C)ccc2Cl)c1 Cc1ccc(Cl)c(c1)[*:1] COc1cc(F)cc(c1)CNC(=O)C(=O)N[*:1]
O=C(NC[C@@]1(O)CCSC1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NC[C@@]1(O)CCSC1)[*:1]
COc1cccc(Cc2nnc(NC(=O)N[C@@H]3C=C[C@H](CO)C3)s2)c1 COc1cccc(c1)[*:1] O=C(Nc1nnc(C[*:1])s1)N[C@@H]1C=C[C@H](CO)C1
COc1cccc(NC2CCN(C(=O)c3cc(C)cc(C)c3)CC2)c1 COc1cccc(c1)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC(CC1)N[*:1]
COc1cccc(NC2CCN(C(=O)c3cc(C)cc(C)c3)CC2)c1 Cc1cc(C)cc(c1)[*:1] COc1cccc(c1)NC1CCN(CC1)C(=O)[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)C(=O)N1C[C@@H]2CCC[C@H]2C1 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])C(=O)N1C[C@@H]2CCC[C@H]2C1
Cc1cccc(C)c1C[NH2+]C[C@H](C)[S@@](C)=O C[S@@](=O)[*:1] Cc1cccc(C)c1C[NH2+]C[C@H](C)[*:1]
COC(=O)c1c(C2CC2)csc1NC(=O)[C@@H]1CCCOC1 C1COC[C@@H](C1)[*:1] COC(=O)c1c(csc1NC(=O)[*:1])C1CC1
COC(=O)c1c(C2CC2)csc1NC(=O)[C@@H]1CCCOC1 COC(=O)[*:1] O=C(Nc1scc(c1[*:1])C1CC1)[C@@H]1CCCOC1
COC(=O)c1c(C2CC2)csc1NC(=O)[C@@H]1CCCOC1 C1CC1[*:1] COC(=O)c1c(csc1NC(=O)[C@@H]1CCCOC1)[*:1]
CCS(=O)(=O)CCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O CCS(=O)(=O)CC[*:1] O=C(N[*:1])[C@@H]1CCN(C1=O)c1ccc(Cl)c(Cl)c1
CCS(=O)(=O)CCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O CCS(=O)(=O)[*:1] O=C(NCC[*:1])[C@@H]1CCN(C1=O)c1ccc(Cl)c(Cl)c1
CCS(=O)(=O)CCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O Clc1ccc(cc1Cl)[*:1] CCS(=O)(=O)CCNC(=O)[C@@H]1CCN(C1=O)[*:1]
CCS(=O)(=O)CCNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O CCS(=O)(=O)C[*:1] O=C(NC[*:1])[C@@H]1CCN(C1=O)c1ccc(Cl)c(Cl)c1
O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 c1cc(co1)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])[C@@H]1CCCN(C1)C(=O)c1ccoc1
O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 c1cc(co1)[*:1] O=C(NC1CCN(CC1)C(=O)c1ccoc1)[C@@H]1CCCN(C1)C(=O)[*:1]
COCC[NH2+][C@@H](C)[C@H](C)c1cc(C)cc(F)c1 COCC[*:1] Cc1cc(F)cc(c1)[C@@H](C)[C@H](C)[NH2+][*:1]
COCC[NH2+][C@@H](C)[C@H](C)c1cc(C)cc(F)c1 COC[*:1] Cc1cc(F)cc(c1)[C@@H](C)[C@H](C)[NH2+]C[*:1]
CN1CCN(C(=O)[C@@H]2CN(c3nnnn3-c3ccccc3)CCO2)CC1 c1ccc(cc1)[*:1] CN1CCN(CC1)C(=O)[C@@H]1CN(CCO1)c1nnnn1[*:1]
CSCCCCNC(=O)N(C)[C@@H](C)c1ccccn1 CSCCCC[*:1] C[C@@H](c1ccccn1)N(C)C(=O)N[*:1]
CSCCCCNC(=O)N(C)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] CSCCCCNC(=O)N(C)[C@@H](C)[*:1]
CSCCCCNC(=O)N(C)[C@@H](C)c1ccccn1 CSCC[*:1] C[C@@H](c1ccccn1)N(C)C(=O)NCC[*:1]
CSCCCCNC(=O)N(C)[C@@H](C)c1ccccn1 CSCCC[*:1] C[C@@H](c1ccccn1)N(C)C(=O)NC[*:1]
CSCCCCNC(=O)N(C)[C@@H](C)c1ccccn1 CSC[*:1] C[C@@H](c1ccccn1)N(C)C(=O)NCCC[*:1]
CN(C(=O)[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2ccc(-n3cccc3)nc2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)c1ccc(nc1)-n1cccc1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2ccc(-n3cccc3)nc2)CC1 c1ccn(c1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)c1ccc(nc1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc([S@](C)=O)c(F)c1 C[S@](=O)[*:1] CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc([S@](C)=O)c(F)c1 CC[C@H](C)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(c(F)c1)[S@](C)=O)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc([S@](C)=O)c(F)c1 CC[C@H](C)[C@@H](C)[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)N[*:1]
CO[C@@H](c1ccccc1)c1nc2ccccc2[nH]c1=O c1ccc(cc1)[*:1] CO[C@@H](c1nc2ccccc2[nH]c1=O)[*:1]
Cc1cccc(COc2ccc(F)cc2C#CCCl)n1 ClCC#C[*:1] Cc1cccc(COc2ccc(F)cc2[*:1])n1
COC[C@H](Nc1cc(C)[nH+]c(C)n1)c1ccc(C)o1 Cc1ccc(o1)[*:1] COC[C@H](Nc1cc(C)[nH+]c(C)n1)[*:1]
COC[C@H](Nc1cc(C)[nH+]c(C)n1)c1ccc(C)o1 COC[*:1] Cc1cc(nc(C)[nH+]1)N[C@H](c1ccc(C)o1)[*:1]
CCC[C@H](C#N)NC(=O)CCCc1ccc(C)s1 Cc1ccc(s1)[*:1] CCC[C@H](C#N)NC(=O)CCC[*:1]
CCC[C@H](C#N)NC(=O)CCCc1ccc(C)s1 CCC[C@H](C#N)[*:1] Cc1ccc(CCCC(=O)N[*:1])s1
CCC[C@H](C#N)NC(=O)CCCc1ccc(C)s1 CCC[*:1] Cc1ccc(CCCC(=O)N[C@@H](C#N)[*:1])s1
C[C@H](Cc1cccs1)N(C)C(=O)c1cc(C2CC2)on1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)c1cc(on1)C1CC1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1cc(C2CC2)on1 C1CC1[*:1] C[C@H](Cc1cccs1)N(C)C(=O)c1cc(on1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1cc(C2CC2)on1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1cc(on1)C1CC1
COc1ccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2=O)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-n1nc(C(=O)N[*:1])c(=O)n(Cc2ccccc2)c1=O
COc1ccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2=O)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccccc1)c1nn(c(=O)n(Cc2ccccc2)c1=O)[*:1]
COc1ccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2=O)cc1 O=C(NCc1ccccc1)[*:1] COc1ccc(cc1)-n1nc(c(=O)n(Cc2ccccc2)c1=O)[*:1]
COc1ccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-n1nc(C(=O)NC[*:1])c(=O)n(Cc2ccccc2)c1=O
COc1ccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-n1nc(C(=O)NCc2ccccc2)c(=O)n(C[*:1])c1=O
COc1ccc(-n2nc(C(=O)NCc3ccccc3)c(=O)n(Cc3ccccc3)c2=O)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-n1nc(C(=O)NCc2ccccc2)c(=O)n(c1=O)[*:1]
CCO[C@@H]1C[C@@H]([NH3+])C12CCCC2 CCO[*:1] [NH3+][C@@H]1C[C@H](C12CCCC2)[*:1]
C/C=C(/C)C(=O)[C@H](C#N)c1ccc(F)cn1 CC=C(C)[*:1] N#C[C@@H](C(=O)[*:1])c1ccc(F)cn1
CC[C@H]1CCC[C@@H](NC(=O)N[C@@H](CCO)c2cccs2)C1 c1csc(c1)[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)N[C@@H](CCO)[*:1]
CC[C@H]1CCC[C@@H](NC(=O)N[C@@H](CCO)c2cccs2)C1 OCC[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)N[C@@H](c1cccs1)[*:1]
COc1ccc(-c2cc(=O)n(CCNC(=O)c3cc4ccccc4[nH]3)cn2)cc1 c1ccc2[nH]c(cc2c1)[*:1] COc1ccc(cc1)-c1cc(=O)n(cn1)CCNC(=O)[*:1]
COc1ccc(-c2cc(=O)n(CCNC(=O)c3cc4ccccc4[nH]3)cn2)cc1 COc1ccc(cc1)[*:1] O=C(NCCn1cnc(cc1=O)[*:1])c1cc2ccccc2[nH]1
CCCNc1cccc(COc2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] CCCNc1cccc(COc2cccc(c2)[*:1])n1
CCCNc1cccc(COc2cccc([N+](=O)[O-])c2)n1 CCC[*:1] O=[N+]([O-])c1cccc(c1)OCc1cccc(n1)N[*:1]
CCCNc1cccc(COc2cccc([N+](=O)[O-])c2)n1 CCCN[*:1] O=[N+]([O-])c1cccc(c1)OCc1cccc(n1)[*:1]
C[NH+](CCCCCS)Cc1ccco1 SCC[*:1] C[NH+](CCC[*:1])Cc1ccco1
C[NH+](CCCCCS)Cc1ccco1 SCCC[*:1] C[NH+](CC[*:1])Cc1ccco1
Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1 C1CC1[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)[*:1]
Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)c1ccc(cc1)[*:1])C1CC1
Cc1ccccc1-c1nnc(SCc2ccc(F)c(F)c2)n1C Cc1ccccc1[*:1] Cn1c(nnc1[*:1])SCc1ccc(F)c(F)c1
C[C@@H](NC[C@@H](c1ccccc1)C(C)(C)CO)c1ccnc(Cl)c1 c1ccc(cc1)[*:1] C[C@@H](NC[C@@H](C(C)(C)CO)[*:1])c1ccnc(Cl)c1
C[C@@H](NC[C@@H](c1ccccc1)C(C)(C)CO)c1ccnc(Cl)c1 CC(C)(CO)[*:1] C[C@@H](NC[C@@H](c1ccccc1)[*:1])c1ccnc(Cl)c1
C[C@@H](NC[C@@H](c1ccccc1)C(C)(C)CO)c1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] C[C@@H](NC[C@@H](c1ccccc1)C(C)(C)CO)[*:1]
O=C(C[C@@]1(C(F)(F)F)NCC[NH2+]1)c1ccc(Cl)cc1 FC(F)(F)[*:1] O=C(C[C@]1(NCC[NH2+]1)[*:1])c1ccc(Cl)cc1
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)[C@@H]1CCCO1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)NNC(=O)[C@@H]1CCCO1)[*:1]
COC[C@@H](C)[NH+]1CCN(Cc2c(Cl)nc3ccccn23)CC1 COC[*:1] C[C@@H]([NH+]1CCN(CC1)Cc1c(Cl)nc2ccccn12)[*:1]
CSc1ccc([C@@H]2CC(=O)NC(=O)[C@H]2C(C)C)cc1 CC(C)[*:1] CSc1ccc(cc1)[C@@H]1CC(=O)NC(=O)[C@@H]1[*:1]
CC[C@H]1CCCCN1C(=O)c1cnc(SC)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@H]1CCCCN1C(=O)c1cnc(SC)n1[*:1]
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3OC)c(=O)c3ccc(C)nc32)cc1Cl COc1ccccc1[*:1] COc1ccc(cc1Cl)NC(=O)Cn1cc(C(=O)[*:1])c(=O)c2ccc(C)nc21
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3OC)c(=O)c3ccc(C)nc32)cc1Cl COc1ccccc1C(=O)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1cc(c(=O)c2ccc(C)nc21)[*:1]
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3OC)c(=O)c3ccc(C)nc32)cc1Cl COc1ccc(cc1Cl)[*:1] COc1ccccc1C(=O)c1cn(CC(=O)N[*:1])c2nc(C)ccc2c1=O
CC(C)C[C@@H](C)NC(=O)c1n[nH]c(C(C)C)n1 CC(C)C[*:1] CC(C)c1nc(n[nH]1)C(=O)N[C@H](C)[*:1]
CC(C)C[C@@H](C)NC(=O)c1n[nH]c(C(C)C)n1 CC(C)[*:1] CC(C)C[C@@H](C)NC(=O)c1n[nH]c(n1)[*:1]
CC(C)C[C@@H](C)NC(=O)c1n[nH]c(C(C)C)n1 CC(C)[*:1] CC(C)c1nc(n[nH]1)C(=O)N[C@H](C)C[*:1]
CCc1nc(CC(=O)Nc2cn(C)nc2-c2ccccc2)cs1 CCc1nc(cs1)[*:1] Cn1cc(NC(=O)C[*:1])c(n1)-c1ccccc1
CCc1nc(CC(=O)Nc2cn(C)nc2-c2ccccc2)cs1 c1ccc(cc1)[*:1] CCc1nc(cs1)CC(=O)Nc1cn(C)nc1[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 Clc1ccc(cc1)O[*:1] CC(C)N(C[C@H](C)O)C(=O)Nc1ccc(nc1)[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 Clc1ccc(cc1)[*:1] CC(C)N(C[C@H](C)O)C(=O)Nc1ccc(nc1)O[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 CC(C)[*:1] C[C@H](O)CN(C(=O)Nc1ccc(nc1)Oc1ccc(Cl)cc1)[*:1]
CC[C@@H](Nc1nc2ccc(N)cc2o1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](Nc1nc2ccc(N)cc2o1)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)[C@H]2Cc3ccccc3C(=O)O2)n1 CC(C)c1csc(n1)[*:1] N#C[C@H](C(=O)[C@H]1Cc2ccccc2C(=O)O1)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)[C@H]2Cc3ccccc3C(=O)O2)n1 CC(C)[*:1] N#C[C@H](C(=O)[C@H]1Cc2ccccc2C(=O)O1)c1nc(cs1)[*:1]
COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2CCc2ccccc2)C1=O COc1ccccc1[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](CCc3ccccc3)N2C(=O)CN1C[*:1]
COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2CCc2ccccc2)C1=O COc1ccccc1C[*:1] O=C1CN(C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](CCc3ccccc3)N12)[*:1]
COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2CCc2ccccc2)C1=O c1ccc(cc1)C[*:1] COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2C[*:1])C1=O
COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2CCc2ccccc2)C1=O c1ccc(cc1)CC[*:1] COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2[*:1])C1=O
COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2CCc2ccccc2)C1=O c1ccc(cc1)[*:1] COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2CC[*:1])C1=O
COc1ccc(-c2nnc3s/c(=C\c4ccc(F)cc4)c(=O)n23)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nnc2sc(=C[*:1])c(=O)n12
Cc1ccc([N+](=O)[O-])c(N[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)c1 O=C([O-])[*:1] Cc1ccc(c(c1)N[C@@H]1[C@@H]([C@H]2CC[C@@H]1C2)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2)[*:1]
Cc1ccn2/c(=N/C(=O)c3cnn(C(C)C)c3C)[nH]nc2c1 CC(C)[*:1] Cc1ccn2/c(=N/C(=O)c3cnn(c3C)[*:1])[nH]nc2c1
CN(CC(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O)C(=O)c1cccs1 CS(=O)(=O)[*:1] CN(CC(=O)N(C)[C@H]1CCCC[C@@H]1[*:1])C(=O)c1cccs1
CN(CC(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O)C(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O)C(=O)[*:1]
O=c1cc(C[C@H]2NN=C(SCc3ccc(Br)cc3)N2c2ccccc2)[nH]c(=O)[nH]1 Brc1ccc(cc1)C[*:1] O=c1cc(C[C@H]2NN=C(S[*:1])N2c2ccccc2)[nH]c(=O)[nH]1
O=c1cc(C[C@H]2NN=C(SCc3ccc(Br)cc3)N2c2ccccc2)[nH]c(=O)[nH]1 O=c1cc([nH]c(=O)[nH]1)[*:1] Brc1ccc(cc1)CSC1=NN[C@H](C[*:1])N1c1ccccc1
O=c1cc(C[C@H]2NN=C(SCc3ccc(Br)cc3)N2c2ccccc2)[nH]c(=O)[nH]1 Brc1ccc(cc1)[*:1] O=c1cc(C[C@H]2NN=C(SC[*:1])N2c2ccccc2)[nH]c(=O)[nH]1
O=c1cc(C[C@H]2NN=C(SCc3ccc(Br)cc3)N2c2ccccc2)[nH]c(=O)[nH]1 c1ccc(cc1)[*:1] O=c1cc(C[C@H]2NN=C(SCc3ccc(Br)cc3)N2[*:1])[nH]c(=O)[nH]1
C=CCNC(=O)CCCn1nc([N+](=O)[O-])c(Br)c1C C=CCNC(=O)[*:1] Cc1c(Br)c(nn1CCC[*:1])[N+](=O)[O-]
C=CCNC(=O)CCCn1nc([N+](=O)[O-])c(Br)c1C C=CC[*:1] Cc1c(Br)c(nn1CCCC(=O)N[*:1])[N+](=O)[O-]
C=CCNC(=O)CCCn1nc([N+](=O)[O-])c(Br)c1C O=[N+]([O-])[*:1] C=CCNC(=O)CCCn1nc(c(Br)c1C)[*:1]
COc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C(C)=O)cc1OC Clc1cnn(c1)[*:1] COc1cc(NC(=O)c2ccc(C[*:1])o2)c(cc1OC)C(C)=O
COc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C(C)=O)cc1OC Clc1cnn(c1)C[*:1] COc1cc(NC(=O)c2ccc(o2)[*:1])c(cc1OC)C(C)=O
COc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C(C)=O)cc1OC CC(=O)[*:1] COc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(cc1OC)[*:1]
Cc1nc2ccc(NC(=O)c3ccnc(OC4CCC4)c3)cc2o1 C1CC(C1)O[*:1] Cc1nc2ccc(cc2o1)NC(=O)c1ccnc(c1)[*:1]
Cc1nc2ccc(NC(=O)c3ccnc(OC4CCC4)c3)cc2o1 C1CC(C1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)c1ccnc(c1)O[*:1]
C[C@H](C(=O)[O-])[C@H](C)c1ccoc1 O=C([O-])[*:1] C[C@H](c1ccoc1)[C@@H](C)[*:1]
CC(=O)N1N=C(c2ccccc2OCc2ccc(Br)cc2)O[C@@H]1c1ccccc1[N+](=O)[O-] Brc1ccc(cc1)C[*:1] CC(=O)N1N=C(O[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1O[*:1]
CC(=O)N1N=C(c2ccccc2OCc2ccc(Br)cc2)O[C@@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] CC(=O)N1N=C(O[C@H]1[*:1])c1ccccc1OCc1ccc(Br)cc1
CC(=O)N1N=C(c2ccccc2OCc2ccc(Br)cc2)O[C@@H]1c1ccccc1[N+](=O)[O-] Brc1ccc(cc1)CO[*:1] CC(=O)N1N=C(O[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1[*:1]
CC(=O)N1N=C(c2ccccc2OCc2ccc(Br)cc2)O[C@@H]1c1ccccc1[N+](=O)[O-] Brc1ccc(cc1)[*:1] CC(=O)N1N=C(O[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1OC[*:1]
CC(=O)N1N=C(c2ccccc2OCc2ccc(Br)cc2)O[C@@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=O)N1N=C(O[C@@H]1c1ccccc1[*:1])c1ccccc1OCc1ccc(Br)cc1
Cc1ccccc1NC(=O)c1cccn(OCc2ccccc2)c1=O c1ccc(cc1)C[*:1] Cc1ccccc1NC(=O)c1cccn(O[*:1])c1=O
Cc1ccccc1NC(=O)c1cccn(OCc2ccccc2)c1=O Cc1ccccc1[*:1] O=C(N[*:1])c1cccn(OCc2ccccc2)c1=O
Cc1ccccc1NC(=O)c1cccn(OCc2ccccc2)c1=O c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)c1cccn(OC[*:1])c1=O
[NH3+]CCOCCN1CCS(=O)CC1 [NH3+]CCO[*:1] O=S1CCN(CC1)CC[*:1]
[NH3+]CCOCCN1CCS(=O)CC1 [NH3+]CC[*:1] O=S1CCN(CCO[*:1])CC1
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(C#N)cs1 N#Cc1csc(c1)[*:1] C[C@H](CC#N)Sc1ccccc1NC(=O)[*:1]
C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(C#N)cs1 N#CC[*:1] C[C@H](Sc1ccccc1NC(=O)c1cc(C#N)cs1)[*:1]
CN(C)C(=O)CSc1ccc2c(c1)CCC2 CN(C)C(=O)[*:1] c1cc2CCCc2cc1SC[*:1]
O=C(CSCc1ccc(C(=O)[O-])cc1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSCc1ccc(cc1)C(=O)[O-])N[*:1]
O=C(CSCc1ccc(C(=O)[O-])cc1)Nc1ccc(Cl)cc1 O=C([O-])[*:1] O=C(CSCc1ccc(cc1)[*:1])Nc1ccc(Cl)cc1
COc1ccc(OC[C@H]2CCCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)C2)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)OC[C@H]1CCCN(C1)C(=O)c1cn(nn1)[*:1]
COc1ccc(OC[C@H]2CCCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)C2)cc1 COc1ccc(cc1)[*:1] O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCC[C@H](CO[*:1])C1
COc1ccc(OC[C@H]2CCCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)C2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)OC[C@H]1CCCN(C1)C(=O)c1cn(C[*:1])nn1
COc1ccc(OC[C@H]2CCCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)C2)cc1 COc1ccc(cc1)OC[*:1] O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCC[C@@H](C1)[*:1]
COc1ccc(OC[C@H]2CCCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)C2)cc1 COc1ccc(cc1)O[*:1] O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCC[C@@H](C1)C[*:1]
Cc1cccc(C[NH+]2CCN(Cc3cnc(-c4cccs4)nc3)CC2)c1 Cc1cccc(c1)[*:1] c1csc(c1)-c1ncc(cn1)CN1CC[NH+](CC1)C[*:1]
Cc1cccc(C[NH+]2CCN(Cc3cnc(-c4cccs4)nc3)CC2)c1 c1csc(c1)[*:1] Cc1cccc(c1)C[NH+]1CCN(CC1)Cc1cnc(nc1)[*:1]
Cc1cccc(C[NH+]2CCN(Cc3cnc(-c4cccs4)nc3)CC2)c1 Cc1cccc(c1)C[*:1] c1csc(c1)-c1ncc(cn1)CN1CC[NH+](CC1)[*:1]
CC/[NH+]=C(\NCc1ccc(C)c(F)c1)NCc1cn2ccsc2n1 c1cn2cc(nc2s1)[*:1] CC/[NH+]=C(\NCc1ccc(C)c(F)c1)NC[*:1]
CC/[NH+]=C(\NCc1ccc(C)c(F)c1)NCc1cn2ccsc2n1 Cc1ccc(cc1F)[*:1] CC/[NH+]=C(/NCc1cn2ccsc2n1)NC[*:1]
Cn1cnc2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)nn(-c3ccccc3)c2c1=O c1cc2OCOc2cc1C[*:1] Cn1cnc2c(nn(-c3ccccc3)c2c1=O)C(=O)N1CCN(CC1)[*:1]
Cn1cnc2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)nn(-c3ccccc3)c2c1=O c1ccc(cc1)[*:1] Cn1cnc2c(nn(c2c1=O)[*:1])C(=O)N1CCN(CC1)Cc1ccc2OCOc2c1
Cn1cnc2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)nn(-c3ccccc3)c2c1=O c1cc2OCOc2cc1[*:1] Cn1cnc2c(nn(-c3ccccc3)c2c1=O)C(=O)N1CCN(CC1)C[*:1]
CC(C)=Cc1c(C(=O)[O-])nnn1-c1ccc(C(C)C)cc1 O=C([O-])[*:1] CC(C)=Cc1c(nnn1-c1ccc(cc1)C(C)C)[*:1]
CC(C)=Cc1c(C(=O)[O-])nnn1-c1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)=Cc1c(nnn1-c1ccc(cc1)[*:1])C(=O)[O-]
CC(C)=Cc1c(C(=O)[O-])nnn1-c1ccc(C(C)C)cc1 CC(C)=C[*:1] CC(C)c1ccc(cc1)-n1nnc(C(=O)[O-])c1[*:1]
CS(=O)(=O)N1CCC[C@@H](COC(=O)Cn2ccc(N)n2)C1 Nc1ccn(C[*:1])n1 CS(=O)(=O)N1CCC[C@@H](COC(=O)[*:1])C1
CS(=O)(=O)N1CCC[C@@H](COC(=O)Cn2ccc(N)n2)C1 Nc1ccn(n1)[*:1] CS(=O)(=O)N1CCC[C@@H](COC(=O)C[*:1])C1
CC(=O)c1cccc(OCC(=O)Nc2cc(Cl)ccc2Cl)c1 CC(=O)[*:1] O=C(COc1cccc(c1)[*:1])Nc1cc(Cl)ccc1Cl
Cc1nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)ncc1C(=O)N1CCOCC1 Cn1cc(cn1)[*:1] Cc1nc(ncc1C(=O)N1CCOCC1)[C@H]1CCCCN1C(=O)[*:1]
Cc1nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)ncc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1nc(ncc1[*:1])[C@H]1CCCCN1C(=O)c1cnn(C)c1
O=S1(=O)CC[C@@H](N(CC2=CCCOC2)Cc2ccccc2F)C1 Fc1ccccc1[*:1] O=S1(=O)CC[C@H](C1)N(CC1=CCCOC1)C[*:1]
O=S1(=O)CC[C@@H](N(CC2=CCCOC2)Cc2ccccc2F)C1 O=S1(=O)CC[C@@H](C1)[*:1] Fc1ccccc1CN(CC1=CCCOC1)[*:1]
COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] COc1ccc(Cl)c(c1)[N-]S(=O)(=O)c1ccc(C)c(c1)[*:1]
C[NH2+][C@H](CCO)c1cccnc1Cl OCC[*:1] C[NH2+][C@H](c1cccnc1Cl)[*:1]
CC(C)[NH2+]C[C@@H](O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] CC(C)[NH2+]C[C@@H](O)Cn1c(=O)oc2ccc(cc21)[*:1]
CC(C)[NH2+]C[C@@H](O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 CC(C)[*:1] O=c1oc2ccc(cc2n1C[C@H](O)C[NH2+][*:1])[N+](=O)[O-]
Nc1ccc2c(c1)CC[C@@H]2NC(=O)Cn1cnnn1 c1nnnn1C[*:1] Nc1ccc2c(c1)CC[C@@H]2NC(=O)[*:1]
Nc1ccc2c(c1)CC[C@@H]2NC(=O)Cn1cnnn1 c1nnnn1[*:1] Nc1ccc2c(c1)CC[C@@H]2NC(=O)C[*:1]
Cc1ccc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1Br Cc1ccc(cc1Br)[*:1] O=C(NC[C@@H]1CCCO1)c1cccc(c1)NC(=O)[*:1]
C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCNc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCNc1ccccc1[*:1]
CN(Cc1ccc(F)c(F)c1)C(=O)CCC(=O)Nc1nccs1 c1csc(n1)[*:1] CN(Cc1ccc(F)c(F)c1)C(=O)CCC(=O)N[*:1]
CC[C@H](C)c1ccccc1NC(=O)c1ccc(C)cc1C CC[C@H](C)[*:1] Cc1ccc(C(=O)Nc2ccccc2[*:1])c(C)c1
CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1[*:1] CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(C[*:1])o1
CCNc1ccc(C)cc1C(=O)N(CC)C[C@H](C)CC CCN[*:1] CC[C@@H](C)CN(CC)C(=O)c1cc(C)ccc1[*:1]
CCNc1ccc(C)cc1C(=O)N(CC)C[C@H](C)CC CC[C@@H](C)C[*:1] CCNc1ccc(C)cc1C(=O)N(CC)[*:1]
CCNc1ccc(C)cc1C(=O)N(CC)C[C@H](C)CC CC[C@@H](C)[*:1] CCNc1ccc(C)cc1C(=O)N(CC)C[*:1]
Cc1ccc(CC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)C[*:1] O=C(N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(CC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccc(CC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(CC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)CC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCNc1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)s1 CCN[*:1] Cc1cc(C)c(NC(=O)CSc2nnc(s2)[*:1])c(C)c1
CC(C)[C@@H](NC(=O)N1CCC(OCc2ccccc2)CC1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)OCc1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)N1CCC(OCc2ccccc2)CC1)c1ccccn1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)OC[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)N1CCC(OCc2ccccc2)CC1)c1ccccn1 c1ccc(cc1)C[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)O[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)N1CCC(OCc2ccccc2)CC1)c1ccccn1 c1ccc(cc1)CO[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)N1CCC(OCc2ccccc2)CC1)c1ccccn1 CC(C)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])N1CCC(CC1)OCc1ccccc1
COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2c1 Fc1ccccc1[*:1] COc1ccc2cc(c(=O)[nH]c2c1)[C@H](c1nnnn1C(C)(C)C)N1CCN(CC1)[*:1]
COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2c1 CC(C)(C)n1nnnc1[*:1] COc1ccc2cc(c(=O)[nH]c2c1)[C@H](N1CCN(CC1)c1ccccc1F)[*:1]
COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2c1 CC(C)(C)[*:1] COc1ccc2cc(c(=O)[nH]c2c1)[C@H](c1nnnn1[*:1])N1CCN(CC1)c1ccccc1F
CC[C@H](CO)N1CCN(/C(=C/C#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@H](CO)N1CCN(CC1)/C(=C/C#N)[*:1]
CC[C@H](CO)N1CCN(/C(=C/C#N)c2ccccc2)CC1 CC[C@H](CO)[*:1] N#C/C=C(\c1ccccc1)N1CCN(CC1)[*:1]
O=[N+]([O-])c1cc(CNc2cccc(Cl)c2F)cs1 O=[N+]([O-])[*:1] Fc1c(Cl)cccc1NCc1csc(c1)[*:1]
CC(C)(C)/C(=C/n1ccnc1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)(C)/C(=C/n1ccnc1)c1ccc(cc1)[*:1]
CC(C)(C)/C(=C/n1ccnc1)c1ccc(C(F)(F)F)cc1 c1cn(cn1)[*:1] CC(C)(C)C(=C[*:1])c1ccc(cc1)C(F)(F)F
CC(C)(C)/C(=C/n1ccnc1)c1ccc(C(F)(F)F)cc1 CC(C)(C)[*:1] FC(F)(F)c1ccc(cc1)/C(=C\n1ccnc1)[*:1]
O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1CCOC[C@H]1C1CC1 Fc1ccc(cc1)O[*:1] O=C(NCc1ccnc(c1)[*:1])N1CCOC[C@H]1C1CC1
O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(NCc1ccnc(c1)Oc1ccc(F)cc1)N1CCOC[C@@H]1[*:1]
O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1CCOC[C@H]1C1CC1 Fc1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)O[*:1])N1CCOC[C@H]1C1CC1
CCNC(=O)N1CCN(C(=O)c2ccccc2N(C)C(=O)CC)CC1 CCC(=O)N(C)[*:1] CCNC(=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N CC(C)(C)[*:1] CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1nn(cc1C#N)[*:1]
CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N CC(C)[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)NCc1[nH+]ccn1C[*:1]
CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N CC(C)C[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)NCc1[nH+]ccn1[*:1]
CC(C)(C)c1nc(C[S@@](=O)Cc2ncn(-c3ccccc3)n2)no1 c1ccc(cc1)[*:1] CC(C)(C)c1nc(C[S@@](=O)Cc2ncn(n2)[*:1])no1
CC(C)(C)c1nc(C[S@@](=O)Cc2ncn(-c3ccccc3)n2)no1 CC(C)(C)[*:1] O=[S@](Cc1noc(n1)[*:1])Cc1ncn(n1)-c1ccccc1
CN[C@@](C#N)(CS[C@H](C)CCO)c1ccccc1 c1ccc(cc1)[*:1] CN[C@@](C#N)(CS[C@H](C)CCO)[*:1]
CN[C@@](C#N)(CS[C@H](C)CCO)c1ccccc1 OCC[*:1] CN[C@@](C#N)(CS[C@H](C)[*:1])c1ccccc1
CN[C@@](C#N)(CS[C@H](C)CCO)c1ccccc1 C[C@H](CCO)S[*:1] CN[C@@](C#N)(C[*:1])c1ccccc1
CN[C@@](C#N)(CS[C@H](C)CCO)c1ccccc1 C[C@H](CCO)[*:1] CN[C@@](C#N)(CS[*:1])c1ccccc1
CCOC[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1 CCO[*:1] O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1 CCOC[*:1] O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H](C1)[*:1]
CCOc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)[*:1]
CCOc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 CCOc1ccccc1[*:1] O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)N[*:1]
CCOc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 CCO[*:1] O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)Nc1ccccc1[*:1]
CCS(=O)(=O)c1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 CCS(=O)(=O)[*:1] O=C(Nc1nnc(o1)C1=COCCO1)c1ccc(cc1)[*:1]
Cc1ccc(-c2nnc(SCc3cccc(C(=O)N(C)C)c3)o2)c(C)c1 CN(C)C(=O)[*:1] Cc1ccc(-c2nnc(o2)SCc2cccc(c2)[*:1])c(C)c1
Cc1ccc(-c2nnc(SCc3cccc(C(=O)N(C)C)c3)o2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN(C)C(=O)c1cccc(c1)CSc1nnc(o1)[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1 O=C(Nc1ccccc1)[*:1] CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(CC1)c1nnc(s1)[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1 CC(=O)N[*:1] Cc1ccc(c(c1)S(=O)(=O)N1CCC(CC1)c1nnc(s1)C(=O)Nc1ccccc1)[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(CC1)c1nnc(s1)C(=O)N[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1 CC(=O)Nc1ccc(C)cc1[*:1] O=C(Nc1ccccc1)c1nnc(s1)C1CCN(CC1)S(=O)(=O)[*:1]
CCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 CCC[*:1] O=C(N[*:1])c1cc2CCc3ccccc3-c2s1
CCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 CCCNC(=O)[*:1] c1ccc2c(c1)CCc1cc(sc1-2)[*:1]
CCCc1nnsc1C(=O)N1CCOC[C@@H]1CO CCC[*:1] O=C(c1snnc1[*:1])N1CCOC[C@@H]1CO
CN(CC1CCC1)C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 C1CC(C1)C[*:1] CN(C(=O)NC1CC[NH+](CC1)Cc1ccccc1F)[*:1]
CN(CC1CCC1)C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] CN(CC1CCC1)C(=O)NC1CC[NH+](CC1)[*:1]
CN(CC1CCC1)C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 Fc1ccccc1[*:1] CN(CC1CCC1)C(=O)NC1CC[NH+](CC1)C[*:1]
CN(CC1CCC1)C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 C1CC(C1)[*:1] CN(C[*:1])C(=O)NC1CC[NH+](CC1)Cc1ccccc1F
C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cc(-n2cccn2)nc(N)n1 c1cnn(c1)[*:1] C[C@H]1C[C@@H](CN1c1cc(nc(N)n1)[*:1])c1ccc(F)cc1
C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cc(-n2cccn2)nc(N)n1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1c1cc(nc(N)n1)-n1cccn1)[*:1]
CCc1ccc(C2=CCN(C(=O)/C=C/c3nnc(C(C)C)o3)CC2)cc1 CC(C)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)/C=C/c1nnc(o1)[*:1]
CCc1ccc(C2=CCN(C(=O)/C=C/c3nnc(C(C)C)o3)CC2)cc1 CC(C)c1nnc(o1)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)C=C[*:1]
CCc1ccc(C2=CCN(C(=O)/C=C/c3nnc(C(C)C)o3)CC2)cc1 CCc1ccc(cc1)[*:1] CC(C)c1nnc(/C=C/C(=O)N2CC=C(CC2)[*:1])o1
Cc1ccc2cc(C(=O)N[C@H](C(=O)N3CCCC3)C(C)C)[nH]c2c1 O=C(N1CCCC1)[*:1] Cc1ccc2cc([nH]c2c1)C(=O)N[C@H](C(C)C)[*:1]
Cc1ccc2cc(C(=O)N[C@H](C(=O)N3CCCC3)C(C)C)[nH]c2c1 CC(C)[*:1] Cc1ccc2cc([nH]c2c1)C(=O)N[C@H](C(=O)N1CCCC1)[*:1]
CSc1ncc(C(=O)Nc2cc(C(C)C)n[nH]2)n1-c1ccccc1 c1ccc(cc1)[*:1] CSc1ncc(C(=O)Nc2cc(n[nH]2)C(C)C)n1[*:1]
CSc1ncc(C(=O)Nc2cc(C(C)C)n[nH]2)n1-c1ccccc1 CC(C)c1cc([nH]n1)[*:1] CSc1ncc(C(=O)N[*:1])n1-c1ccccc1
CSc1ncc(C(=O)Nc2cc(C(C)C)n[nH]2)n1-c1ccccc1 CC(C)[*:1] CSc1ncc(C(=O)Nc2cc(n[nH]2)[*:1])n1-c1ccccc1
CC(C)C[C@](C)(NCc1csc(-c2ccoc2)n1)C(N)=O CC(C)[*:1] C[C@@](C[*:1])(NCc1csc(n1)-c1ccoc1)C(N)=O
CC(C)C[C@](C)(NCc1csc(-c2ccoc2)n1)C(N)=O NC(=O)[*:1] CC(C)C[C@](C)(NCc1csc(n1)-c1ccoc1)[*:1]
CC(C)C[C@](C)(NCc1csc(-c2ccoc2)n1)C(N)=O CC(C)C[*:1] C[C@](NCc1csc(n1)-c1ccoc1)(C(N)=O)[*:1]
CC(C)C[C@](C)(NCc1csc(-c2ccoc2)n1)C(N)=O c1cc(co1)[*:1] CC(C)C[C@](C)(NCc1csc(n1)[*:1])C(N)=O
NC(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 NC(=O)[*:1] O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N[*:1]
C=CCOc1ccccc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 C=CCO[*:1] CS(=O)(=O)NC[C@@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
C=CCOc1ccccc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 C=CC[*:1] CS(=O)(=O)NC[C@@H]1CCCN(C1)C(=O)c1ccccc1O[*:1]
C=CCOc1ccccc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 CS(=O)(=O)NC[*:1] C=CCOc1ccccc1C(=O)N1CCC[C@@H](C1)[*:1]
C=CCOc1ccccc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 CS(=O)(=O)N[*:1] C=CCOc1ccccc1C(=O)N1CCC[C@H](C1)C[*:1]
CCOc1ccc([C@H](C)NC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 CCO[*:1] C[C@H](NC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 O=C(N[*:1])c1ccco1 C[C@H](C(=O)Nc1ccc(cc1)NC(=O)C[NH+](C)C)[*:1]
C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1ccc(cc1)NC(=O)C[NH+](C)C
O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 c1ccc(cc1)O[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1O[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
COC(=O)CCCNc1ccc2c(c1)CCC2 COC(=O)[*:1] c1cc2CCCc2cc1NCCC[*:1]
COC(=O)CCCNc1ccc2c(c1)CCC2 COC(=O)C[*:1] c1cc2CCCc2cc1NCC[*:1]
O=C(NCC[C@H](O)c1cccc2ccccc12)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(NCC[C@H](O)c1cccc2ccccc12)[*:1]
O=C(c1c(F)cccc1Cl)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 Fc1cccc(Cl)c1[*:1] O=C(N1CCN(CC1)c1ccnc(n1)N1CCOCC1)[*:1]
O=C(c1c(F)cccc1Cl)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 C1CN(CCO1)[*:1] O=C(c1c(F)cccc1Cl)N1CCN(CC1)c1ccnc(n1)[*:1]
CC[C@@H](C(=O)NNC(=O)N[C@@H](c1ccccn1)C(C)C)c1ccccc1 CC(C)[*:1] CC[C@@H](C(=O)NNC(=O)N[C@@H](c1ccccn1)[*:1])c1ccccc1
CC[C@@H](C(=O)NNC(=O)N[C@@H](c1ccccn1)C(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)NNC(=O)N[C@@H](c1ccccn1)C(C)C)[*:1]
CC[C@@H](C(=O)NNC(=O)N[C@@H](c1ccccn1)C(C)C)c1ccccc1 c1ccc(nc1)[*:1] CC[C@@H](C(=O)NNC(=O)N[C@@H](C(C)C)[*:1])c1ccccc1
CC[C@@H](C)n1ncc(C(=O)NNC(=O)c2ccnc(N(C)C)c2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NNC(=O)c2ccnc(c2)N(C)C)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)NNC(=O)c2ccnc(N(C)C)c2)c1C1CC1 CN(C)[*:1] CC[C@@H](C)n1ncc(C(=O)NNC(=O)c2ccnc(c2)[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NNC(=O)c2ccnc(N(C)C)c2)c1C1CC1 CN(C)c1cc(ccn1)[*:1] CC[C@@H](C)n1ncc(C(=O)NNC(=O)[*:1])c1C1CC1
Cc1ncsc1[C@H](C)N[C@H](c1cccc(F)c1)c1ccccn1 Fc1cccc(c1)[*:1] Cc1ncsc1[C@H](C)N[C@H](c1ccccn1)[*:1]
Cc1ncsc1[C@H](C)N[C@H](c1cccc(F)c1)c1ccccn1 c1ccc(nc1)[*:1] Cc1ncsc1[C@H](C)N[C@H](c1cccc(F)c1)[*:1]
Cc1ncsc1[C@H](C)N[C@H](c1cccc(F)c1)c1ccccn1 Cc1ncsc1[*:1] C[C@H](N[C@H](c1cccc(F)c1)c1ccccn1)[*:1]
C[C@@H](NC(=O)C=C(C1CC1)C1CC1)C1(N2CCOCC2)CCCC1 C(=C(C1CC1)C1CC1)[*:1] C[C@@H](NC(=O)[*:1])C1(CCCC1)N1CCOCC1
C[C@@H](NC(=O)C=C(C1CC1)C1CC1)C1(N2CCOCC2)CCCC1 C1CC1[*:1] C[C@@H](NC(=O)C=C(C1CC1)[*:1])C1(CCCC1)N1CCOCC1
C[C@@H](NC(=O)C=C(C1CC1)C1CC1)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)C=C(C1CC1)C1CC1)C1(CCCC1)[*:1]
C[C@@H](NC(=O)c1cnn2c3c(cnc12)CCCCCC3)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C[C@@H](NC(=O)c1cnn2c3CCCCCCc3cnc12)[*:1]
CC(C)[C@@H]([NH2+]Cc1cccnc1)c1ccc2c(c1)CCO2 c1cncc(c1)C[*:1] CC(C)[C@@H]([NH2+][*:1])c1ccc2OCCc2c1
CC(C)[C@@H]([NH2+]Cc1cccnc1)c1ccc2c(c1)CCO2 CC(C)[*:1] c1cncc(c1)C[NH2+][C@@H](c1ccc2OCCc2c1)[*:1]
CC(C)[C@@H]([NH2+]Cc1cccnc1)c1ccc2c(c1)CCO2 c1cncc(c1)[*:1] CC(C)[C@@H]([NH2+]C[*:1])c1ccc2OCCc2c1
CCCc1n[nH]c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 CCC[*:1] COc1cc(OC)c(cc1OC)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(c21)[*:1]
CCC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 Clc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)C(=O)CSc1nc(n[nH]1)[*:1]
CCC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 CCC(=O)N[*:1] O=C(CSc1nc(n[nH]1)-c1ccc(Cl)cc1)c1ccc(cc1)[*:1]
CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O CCC[*:1] O=C(N[C@@H]1CCCN(C1=O)c1ccccc1)[C@H]1CCCCN1C(=O)[*:1]
CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(C1=O)[*:1]
COCCn1cc(NC(=O)c2ccc(-n3nc(C)nc3C)cc2)cn1 Cc1nc(C)n(n1)[*:1] COCCn1cc(cn1)NC(=O)c1ccc(cc1)[*:1]
COCCn1cc(NC(=O)c2ccc(-n3nc(C)nc3C)cc2)cn1 COCC[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)Nc1cnn(c1)[*:1]
COCCn1cc(NC(=O)c2ccc(-n3nc(C)nc3C)cc2)cn1 COC[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)Nc1cnn(c1)C[*:1]
Cc1cccc([C@H](O)C[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)[C@H](O)C[NH2+][C@@H](C)CC(=O)N[*:1]
Cc1cccc([C@H](O)C[NH2+][C@@H](C)CC(=O)Nc2cccc(Cl)c2)c1 Cc1cccc(c1)[*:1] C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H](O)[*:1]
CCOC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 CCOC(=O)[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(cc1)[*:1]
COC[C@H](C)NC(=O)Nc1ccc(CCSC)cc1 COC[C@H](C)[*:1] CSCCc1ccc(cc1)NC(=O)N[*:1]
COC[C@H](C)NC(=O)Nc1ccc(CCSC)cc1 COC[*:1] CSCCc1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)Nc1ccc(CCSC)cc1 CSCC[*:1] COC[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
COC[C@H](C)NC(=O)Nc1ccc(CCSC)cc1 CSC[*:1] COC[C@H](C)NC(=O)Nc1ccc(cc1)C[*:1]
CCn1cc(-c2c(-c3ccccc3)ncn2Cc2ccc3nonc3c2)c(C)n1 c1ccc(cc1)[*:1] CCn1cc(c(C)n1)-c1c(ncn1Cc1ccc2nonc2c1)[*:1]
CCn1cc(-c2c(-c3ccccc3)ncn2Cc2ccc3nonc3c2)c(C)n1 c1cc2nonc2cc1[*:1] CCn1cc(c(C)n1)-c1c(ncn1C[*:1])-c1ccccc1
CCn1cc(-c2c(-c3ccccc3)ncn2Cc2ccc3nonc3c2)c(C)n1 CCn1cc(c(C)n1)[*:1] c1ccc(cc1)-c1ncn(Cc2ccc3nonc3c2)c1[*:1]
CCN1C(=O)Cc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21 Clc1cccc(c1)[*:1] CCN1C(=O)Cc2cc(ccc21)NS(=O)(=O)[*:1]
N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccccc1F NC(=O)[*:1] N#C[C@H]1C(=O)Nc2nc([nH]c(=O)c2[C@H]1c1ccccc1F)N1CCC(CC1)[*:1]
N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccccc1F NC(=O)C1CCN(CC1)[*:1] N#C[C@H]1C(=O)Nc2nc([nH]c(=O)c2[C@H]1c1ccccc1F)[*:1]
N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1c1ccccc1F Fc1ccccc1[*:1] N#C[C@H]1C(=O)Nc2nc([nH]c(=O)c2[C@@H]1[*:1])N1CCC(CC1)C(N)=O
O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=c1ccc2c(CCC[C@H]2[NH2+]CCc2ccc(cc2)[*:1])[nH]1
CC(C)C(=O)N1CCN(C(=O)[C@H]2CC[C@H](C[NH3+])O2)CC1 CC(C)[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1[*:1]
Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1])N1CCOCC1
O=C(CSc1ccc(F)cc1F)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(CSc1ccc(F)cc1F)N1CCN(CC1)[*:1]
O=C(CSc1ccc(F)cc1F)N1CCN(c2ncccn2)CC1 Fc1ccc(c(F)c1)[*:1] O=C(CS[*:1])N1CCN(CC1)c1ncccn1
Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCc2ccccc2C1 Cc1noc(C)c1[*:1] O=C(CNS(=O)(=O)[*:1])N1CCc2ccccc2C1
CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccnc1 c1ccc(cc1)C[*:1] CC(C)(C)C(=O)C1=C(O)C(=O)N([C@@H]1c1cccnc1)[*:1]
CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccnc1 c1cncc(c1)[*:1] CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1[*:1]
CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccnc1 CC(C)(C)[*:1] O=C1C(O)=C(C(=O)[*:1])[C@@H](c2cccnc2)N1Cc1ccccc1
CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccnc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)C1=C(O)C(=O)N(C[*:1])[C@@H]1c1cccnc1
CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccnc1 CC(C)(C)C(=O)[*:1] O=C1C(O)=C([C@@H](c2cccnc2)N1Cc1ccccc1)[*:1]
CO[C@@H](CNC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)c1ccccc1 Clc1cccc(c1Cl)[*:1] CO[C@@H](CNC(=O)[C@@H](C)O[*:1])c1ccccc1
CO[C@@H](CNC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)[*:1]
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OC[C@@H]3CCCO3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(OC[C@@H]1CCCO1)C1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)N(Cc1ccc(NC(=O)N(C)CC[C@H](C)O)cc1)C1CC1 C1CC1[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)N(C)CC[C@H](C)O)[*:1]
CC(=O)N(Cc1ccc(NC(=O)N(C)CC[C@H](C)O)cc1)C1CC1 CC(=O)N(C1CC1)[*:1] C[C@H](O)CCN(C)C(=O)Nc1ccc(cc1)C[*:1]
CC(=O)N(Cc1ccc(NC(=O)N(C)CC[C@H](C)O)cc1)C1CC1 CC(=O)N(C[*:1])C1CC1 C[C@H](O)CCN(C)C(=O)Nc1ccc(cc1)[*:1]
CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCOC COC[*:1] CCN(CC1CCN(CC1)c1cccc[nH+]1)C(=O)NC[*:1]
CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCOC COCC[*:1] CCN(CC1CCN(CC1)c1cccc[nH+]1)C(=O)N[*:1]
CCC(=O)Nc1nc2cc(NC(=O)Nc3ccc4c(c3)OCCO4)ccc2s1 CCC(=O)N[*:1] O=C(Nc1ccc2OCCOc2c1)Nc1ccc2sc(nc2c1)[*:1]
Cc1cc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)c(C(N)=O)cc1F C1CO[C@@H](C1)CO[*:1] Cc1cc(NC(=O)[C@@H](C)[*:1])c(cc1F)C(N)=O
Cc1cc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)c(C(N)=O)cc1F NC(=O)[*:1] Cc1cc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)c(cc1F)[*:1]
Cc1cc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)c(C(N)=O)cc1F C1CO[C@@H](C1)C[*:1] Cc1cc(NC(=O)[C@@H](C)O[*:1])c(cc1F)C(N)=O
Cc1cc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)c(C(N)=O)cc1F C1CO[C@@H](C1)[*:1] Cc1cc(NC(=O)[C@@H](C)OC[*:1])c(cc1F)C(N)=O
CCCCOCC(=O)N[C@H](C)c1nc2cc(Cl)ccc2[nH]1 CCC[*:1] C[C@@H](NC(=O)COC[*:1])c1nc2cc(Cl)ccc2[nH]1
CCCCOCC(=O)N[C@H](C)c1nc2cc(Cl)ccc2[nH]1 CCCC[*:1] C[C@@H](NC(=O)CO[*:1])c1nc2cc(Cl)ccc2[nH]1
CCCCOCC(=O)N[C@H](C)c1nc2cc(Cl)ccc2[nH]1 CCCCO[*:1] C[C@@H](NC(=O)C[*:1])c1nc2cc(Cl)ccc2[nH]1
CCCCOCC(=O)N[C@H](C)c1nc2cc(Cl)ccc2[nH]1 CCCCOC[*:1] C[C@@H](NC(=O)[*:1])c1nc2cc(Cl)ccc2[nH]1
O=C(c1ccncc1Cl)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccncc1Cl)N1CCO[C@H](C1)[*:1]
O=C(c1ccncc1Cl)N1CCO[C@H](c2ccccc2)C1 Clc1cnccc1[*:1] O=C(N1CCO[C@@H](C1)c1ccccc1)[*:1]
CC(C)CS(=O)(=O)Cc1csc(-c2ccccc2F)n1 CC(C)C[*:1] O=S(=O)(Cc1csc(n1)-c1ccccc1F)[*:1]
CC(C)CS(=O)(=O)Cc1csc(-c2ccccc2F)n1 CC(C)[*:1] O=S(=O)(Cc1csc(n1)-c1ccccc1F)C[*:1]
O=C(CCS(=O)(=O)c1ccccc1)NC[C@@]1(O)CCc2ccccc2C1 c1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])NC[C@@]1(O)CCc2ccccc2C1
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)Cc1ccccc1Cl Clc1ccccc1C[*:1] Cc1ccc(c(C)c1NC(=O)N(C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1ccc(c(C)c1NC(=O)N(C)C[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)Cc1ccccc1Cl O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)N(C)Cc1ccccc1Cl)[*:1]
Cc1c(C(=O)O[C@@H](C)C(=O)NC2CC2)oc2ccccc12 O=C(NC1CC1)[*:1] Cc1c(oc2ccccc12)C(=O)O[C@@H](C)[*:1]
Cc1c(C(=O)O[C@@H](C)C(=O)NC2CC2)oc2ccccc12 C1CC1[*:1] Cc1c(oc2ccccc12)C(=O)O[C@@H](C)C(=O)N[*:1]
O=C([O-])c1ccc(N2C(=O)C[C@H](c3c[nH]c4ccccc34)C2=O)cc1O O=C([O-])[*:1] O=C1C[C@@H](C(=O)N1c1ccc(c(O)c1)[*:1])c1c[nH]c2ccccc12
CN(C)C(=O)C[NH+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 CN(C)C(=O)C[*:1] O=[N+]([O-])c1cc(cs1)CN1CCC[NH+](CC1)[*:1]
CN(C)C(=O)C[NH+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CN(C)C(=O)C[NH+]1CCCN(CC1)Cc1csc(c1)[*:1]
CN(C)C(=O)C[NH+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 CN(C)C(=O)[*:1] O=[N+]([O-])c1cc(cs1)CN1CCC[NH+](CC1)C[*:1]
NC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)CC1 NC(=O)[*:1] O=C(Nc1ccc(F)c(F)c1)C(=O)N1CCC(CC1)[*:1]
CNC(=O)NC(=O)CCSc1csc(C(=O)[O-])c1 O=C([O-])[*:1] CNC(=O)NC(=O)CCSc1csc(c1)[*:1]
COc1cccc(CN(C)C(=O)C(=O)Nc2ccccc2N(C)C)c1 CN(C)[*:1] COc1cccc(c1)CN(C)C(=O)C(=O)Nc1ccccc1[*:1]
COc1cccc(CN(C)C(=O)C(=O)Nc2ccccc2N(C)C)c1 COc1cccc(c1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccccc1N(C)C
Cc1c(CCC(=O)N2CCC[C@H]2C(=O)[O-])c(=O)oc2cc3oc4c(c3cc12)CCCC4 O=C([O-])[*:1] Cc1c(CCC(=O)N2CCC[C@@H]2[*:1])c(=O)oc2cc3oc4CCCCc4c3cc12
O=C(COc1ccccc1[N+](=O)[O-])NC(=O)NCc1ccccc1 O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])NC(=O)NCc1ccccc1
O=C(COc1ccccc1[N+](=O)[O-])NC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccccc1[N+](=O)[O-])NC(=O)NC[*:1]
O=C(COc1ccccc1[N+](=O)[O-])NC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(COc1ccccc1[N+](=O)[O-])NC(=O)N[*:1]
O=C(COc1ccc(Cl)cc1Cl)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(COc1ccc(Cl)cc1Cl)N[*:1]
COc1ccc2nc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCCCC4)c3)[nH]c2c1 O=S(=O)(N1CCCCCC1)[*:1] COc1ccc2nc([nH]c2c1)SCC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c1 Cc1ccc(C)c(c1)O[*:1] Cc1ccc(Cl)cc1N1CC[NH+](CC1)C[C@@H](O)C[*:1]
Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c1 Cc1ccc(Cl)cc1[*:1] Cc1ccc(C)c(c1)OC[C@H](O)C[NH+]1CCN(CC1)[*:1]
Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(Cl)cc1N1CC[NH+](CC1)C[C@@H](O)CO[*:1]
O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccno1 c1cc(on1)[*:1] O=C(Nc1ccn(n1)-c1ccc(Cl)cc1Cl)[*:1]
Cc1nc(CC(=O)N2CCC[C@H]2CCc2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)N1CCC[C@H]1CC[*:1]
Cc1nc(CC(=O)N2CCC[C@H]2CCc2ccccc2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N1CCC[C@H]1CCc1ccccc1
Cc1nc(CC(=O)N2CCC[C@H]2CCc2ccccc2)cs1 Cc1nc(cs1)C[*:1] O=C(N1CCC[C@H]1CCc1ccccc1)[*:1]
Cc1nc(CC(=O)N2CCC[C@H]2CCc2ccccc2)cs1 c1ccc(cc1)C[*:1] Cc1nc(cs1)CC(=O)N1CCC[C@H]1C[*:1]
Cc1ccccc1CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O Cc1cccc(c1C)[*:1] Cc1ccccc1CNC(=O)CN(S(C)(=O)=O)[*:1]
Cc1ccccc1CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O Cc1ccccc1[*:1] Cc1cccc(c1C)N(CC(=O)NC[*:1])S(C)(=O)=O
Cc1ccccc1CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O Cc1ccccc1C[*:1] Cc1cccc(c1C)N(CC(=O)N[*:1])S(C)(=O)=O
COc1ccc(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)[*:1] COc1ccc(NC(=O)NC[C@@H](O)[*:1])c(C)c1
CN(c1ccc(C(N)=O)c(Cl)c1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(c1ccc(C(N)=O)c(Cl)c1)S(=O)(=O)[*:1]
CN(c1ccc(C(N)=O)c(Cl)c1)S(=O)(=O)c1ccccc1 NC(=O)[*:1] CN(c1ccc(c(Cl)c1)[*:1])S(=O)(=O)c1ccccc1
COc1ccccc1N1CCC([NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)CC1 c1ccc2CC(Cc2c1)[*:1] COc1ccccc1N1CCC(CC1)[NH2+][C@H]1CCCN(C1)[*:1]
COc1ccccc1N1CCC([NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)CC1 COc1ccccc1[*:1] c1ccc2CC(Cc2c1)N1CCC[C@@H](C1)[NH2+]C1CCN(CC1)[*:1]
Cc1cc(C)n2nc(CC(=O)N(C)CCOCC3CC3)nc2n1 C(C[*:1])OCC1CC1 Cc1cc(C)n2nc(CC(=O)N(C)[*:1])nc2n1
Cc1cc(C)n2nc(CC(=O)N(C)CCOCC3CC3)nc2n1 C1CC1C[*:1] Cc1cc(C)n2nc(CC(=O)N(C)CCO[*:1])nc2n1
Cc1cc(C)n2nc(CC(=O)N(C)CCOCC3CC3)nc2n1 C1CC1[*:1] Cc1cc(C)n2nc(CC(=O)N(C)CCOC[*:1])nc2n1
Cc1cc(C)n2nc(CC(=O)N(C)CCOCC3CC3)nc2n1 C1CC1CO[*:1] Cc1cc(C)n2nc(CC(=O)N(C)CC[*:1])nc2n1
Cc1cc(C)n2nc(CC(=O)N(C)CCOCC3CC3)nc2n1 C1CC1COC[*:1] Cc1cc(C)n2nc(CC(=O)N(C)C[*:1])nc2n1
CNS(=O)(=O)c1cccc([C@@H](C)N[C@H]2CCN(C)C2=O)c1 CN1CC[C@@H](C1=O)[*:1] CNS(=O)(=O)c1cccc(c1)[C@@H](C)N[*:1]
CNS(=O)(=O)c1cccc([C@@H](C)N[C@H]2CCN(C)C2=O)c1 CNS(=O)(=O)[*:1] C[C@@H](N[C@H]1CCN(C)C1=O)c1cccc(c1)[*:1]
C[NH2+][C@@H]([C@H](C)c1ccncc1)[C@@H]1Cc2ccccc21 c1cc(ccn1)[*:1] C[NH2+][C@H]([C@@H]1Cc2ccccc21)[C@H](C)[*:1]
CCNC(=O)NCC1CCN(C(=O)c2cccnc2)CC1 CCNC(=O)NC[*:1] O=C(c1cccnc1)N1CCC(CC1)[*:1]
CCNC(=O)NCC1CCN(C(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] CCNC(=O)NCC1CCN(CC1)C(=O)[*:1]
CCNC(=O)NCC1CCN(C(=O)c2cccnc2)CC1 CCNC(=O)N[*:1] O=C(c1cccnc1)N1CCC(CC1)C[*:1]
O=C(CS(=O)(=O)c1nc2ccccc2[nH]1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1nc2ccccc2[nH]1)N[*:1]
O=C(c1ccccc1Cn1cncn1)N1CCO[C@@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(c1ccccc1Cn1cncn1)N1CCO[C@@H](C1)[*:1]
O=C(c1ccccc1Cn1cncn1)N1CCO[C@@H](c2ccc(F)cc2)C1 c1ncn(C[*:1])n1 O=C(c1ccccc1[*:1])N1CCO[C@H](C1)c1ccc(F)cc1
O=C(c1ccccc1Cn1cncn1)N1CCO[C@@H](c2ccc(F)cc2)C1 c1ncn(n1)[*:1] O=C(c1ccccc1C[*:1])N1CCO[C@H](C1)c1ccc(F)cc1
Cc1ccoc1[C@H](C)NC[C@@](C)(O)c1ccc(F)cc1 Cc1ccoc1[*:1] C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)[*:1]
Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2ccccc2)c1C(=O)N1CCCCC1 c1ccc(cc1)[*:1] Cc1[nH]c(C)c(c1C(=O)N1CCCCC1)S(=O)(=O)NCCC(=O)N[*:1]
Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2ccccc2)c1C(=O)N1CCCCC1 O=C(Nc1ccccc1)[*:1] Cc1[nH]c(C)c(c1C(=O)N1CCCCC1)S(=O)(=O)NCC[*:1]
Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2ccccc2)c1C(=O)N1CCCCC1 O=C(C[*:1])Nc1ccccc1 Cc1[nH]c(C)c(c1C(=O)N1CCCCC1)S(=O)(=O)NC[*:1]
Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2ccccc2)c1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] Cc1[nH]c(C)c(c1S(=O)(=O)NCCC(=O)Nc1ccccc1)[*:1]
COc1cccc(-c2cc(=O)[nH]c(NCc3ccc(F)cc3F)n2)c1 Fc1ccc(c(F)c1)[*:1] COc1cccc(c1)-c1cc(=O)[nH]c(n1)NC[*:1]
COc1cccc(-c2cc(=O)[nH]c(NCc3ccc(F)cc3F)n2)c1 COc1cccc(c1)[*:1] O=c1cc(nc(NCc2ccc(F)cc2F)[nH]1)[*:1]
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(F)cc1 NS(=O)(=O)[*:1] C[C@@H]1Cc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)[*:1]
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1Cc2cc(ccc2N1S(=O)(=O)[*:1])S(N)(=O)=O
CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1nc(-c2ccccc2)c[nH]1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1Br)c1nc(c[nH]1)[*:1]
CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1nc(-c2ccccc2)c[nH]1 Brc1ccccc1[*:1] CC[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])c1nc(c[nH]1)-c1ccccc1
Cc1ccc(NC(=O)N(C)C)c(C(=O)Nc2ccc3c(c2)nc(C)n3C)c1 CN(C)C(=O)N[*:1] Cc1ccc(c(c1)C(=O)Nc1ccc2c(c1)nc(C)n2C)[*:1]
Cc1nc(-c2ccccc2Cl)nc2sc(C(=O)[O-])c(N)c12 Clc1ccccc1[*:1] Cc1nc(nc2sc(C(=O)[O-])c(N)c12)[*:1]
Cc1nc(-c2ccccc2Cl)nc2sc(C(=O)[O-])c(N)c12 O=C([O-])[*:1] Cc1nc(nc2sc(c(N)c12)[*:1])-c1ccccc1Cl
O=C(NCCc1nc2cc(F)ccc2[nH]1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCCc1nc2cc(F)ccc2[nH]1)[*:1]
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N(C)[*:1]
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)C1CCOCC1 CC(C)(C)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])C(=O)N(C)C1CCOCC1
C[C@@H]1CSc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2NC1=O Clc1cccc(c1)[*:1] C[C@@H]1CSc2ccc(cc2NC1=O)S(=O)(=O)N[*:1]
CC(C)(C)CC[NH2+]C[C@]1(C)CCCO1 CC(C)(C)[*:1] C[C@]1(CCCO1)C[NH2+]CC[*:1]
C[NH+]1CCN(c2cc(NC(=O)c3ccccc3)c(Cl)cc2N)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1cc(NC(=O)[*:1])c(Cl)cc1N
Cc1ccc(Cc2nc(C(=O)N3CCC[C@@H]3[C@H]3CCCCC3=O)cs2)cc1 Cc1ccc(cc1)C[*:1] O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)c1csc(n1)[*:1]
Cc1ccc(Cc2nc(C(=O)N3CCC[C@@H]3[C@H]3CCCCC3=O)cs2)cc1 O=C1CCCC[C@@H]1[*:1] Cc1ccc(cc1)Cc1nc(cs1)C(=O)N1CCC[C@H]1[*:1]
Cc1ccc(Cc2nc(C(=O)N3CCC[C@@H]3[C@H]3CCCCC3=O)cs2)cc1 Cc1ccc(cc1)[*:1] O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)c1csc(C[*:1])n1
CCOc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2SC)ccc1C CCO[*:1] CS[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(C)c(c1)[*:1]
CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(Br)cc1O CC(C)[*:1] O=C1NCCN(C(=O)c2ccc(Br)cc2O)[C@@H]1[*:1]
O=C(Cc1ccccc1O)NCCNC(=O)c1ccc(Cl)cc1 Oc1ccccc1[*:1] O=C(C[*:1])NCCNC(=O)c1ccc(Cl)cc1
O=C(Cc1ccccc1O)NCCNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cc1ccccc1O)NCCNC(=O)[*:1]
O=C(NC[C@H]1CCCO1)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)Nc1ccccc1O[*:1]
O=C(NC[C@H]1CCCO1)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(NC[C@H]1CCCO1)Nc1ccccc1[*:1]
CC(C)(C)OC(=O)c1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 CC(C)(C)OC(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCO[C@@H]2CCCC[C@H]21
CC(C)(C)OC(=O)c1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 CC(C)(C)[*:1] O=C(O[*:1])c1ccc(cc1)C(=O)N1CCO[C@@H]2CCCC[C@H]21
C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](CNC(=O)C(=O)Nc1ccc2CCCC(=O)c2c1)[*:1]
C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2)Cc1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)C(=O)Nc1ccc2CCCC(=O)c2c1)C[*:1]
C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@H]12 N#Cc1ccc(cc1)O[*:1] C[C@@H]1C=CC[C@H]2C(=O)N(C(=O)[C@H]12)c1ccc(cc1)[*:1]
C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C#N)cc4)cc3)C(=O)[C@H]12 N#Cc1ccc(cc1)[*:1] C[C@@H]1C=CC[C@H]2C(=O)N(C(=O)[C@H]12)c1ccc(cc1)O[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1CCN1CCOCC1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](N1CCN1CCOCC1)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1CCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(cc2)[N+](=O)[O-])N1[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1CCN1CCOCC1 C1CN(CCO1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(cc2)[N+](=O)[O-])N1CC[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1CCN1CCOCC1 C1CN(CCO1)C[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(cc2)[N+](=O)[O-])N1C[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1CCN1CCOCC1 O=[N+]([O-])[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(cc2)[*:1])N1CCN1CCOCC1
NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)c(F)c1 Fc1ccccc1[*:1] NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2[*:1])c(F)c1
NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)c(F)c1 NC(=O)[*:1] O=C(Nc1ccc(cc1F)[*:1])[C@H]1C[C@@H]1c1ccccc1F
COCCS(=O)(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 COC[*:1] Cc1cc(C)cc(c1)C[C@H](C)NS(=O)(=O)C[*:1]
COCCS(=O)(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 COCC[*:1] Cc1cc(C)cc(c1)C[C@H](C)NS(=O)(=O)[*:1]
COCCn1nc(C)c(NC(=O)NCC(F)(F)F)c1C FC(F)(F)C[*:1] COCCn1nc(C)c(NC(=O)N[*:1])c1C
COCCn1nc(C)c(NC(=O)NCC(F)(F)F)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)NCC(F)(F)F
COCCn1nc(C)c(NC(=O)NCC(F)(F)F)c1C FC(F)(F)[*:1] COCCn1nc(C)c(NC(=O)NC[*:1])c1C
COCCn1nc(C)c(NC(=O)NCC(F)(F)F)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)NCC(F)(F)F)[*:1]
CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H]2CCCc3ccc(F)cc32)n1 CC(C)C[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)c1nn(cc1C(F)F)[*:1]
CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H]2CCCc3ccc(F)cc32)n1 FC(F)[*:1] CC(C)Cn1cc(c(n1)C(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H]2CCCc3ccc(F)cc32)n1 CC(C)[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)c1nn(cc1C(F)F)C[*:1]
C[NH+](C)CCCOc1ccc(NC(=O)c2cc(C#N)cs2)cc1 N#Cc1csc(c1)[*:1] C[NH+](C)CCCOc1ccc(cc1)NC(=O)[*:1]
CCN(CC)S(=O)(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C Cn1ccnc1[*:1] CCN(CC)S(=O)(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CCN(CC)S(=O)(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C Fc1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)N[C@@H](c1nccn1C)[*:1]
COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1C[NH+]1CCOCC1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(/C=N/N[*:1])cc1C[NH+]1CCOCC1
COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1C[NH+]1CCOCC1 O=[N+]([O-])[*:1] COc1ccc(/C=N/Nc2ccc(cc2)[*:1])cc1C[NH+]1CCOCC1
COCC[NH+](C)CCn1c(CCl)nc2cccnc21 COC[*:1] C[NH+](CCn1c(CCl)nc2cccnc21)C[*:1]
COCC[NH+](C)CCn1c(CCl)nc2cccnc21 COCC[*:1] C[NH+](CCn1c(CCl)nc2cccnc21)[*:1]
Cc1nnc(NC(=O)[C@@H](C)n2ncc(Br)c2C)s1 Cc1nnc(s1)[*:1] Cc1c(Br)cnn1[C@H](C)C(=O)N[*:1]
O=C(C[NH+]1CCCCCCC1)NCc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(C[NH+]1CCCCCCC1)NCc1cccc(c1)C(=O)N[*:1]
O=C(C[NH+]1CCCCCCC1)NCc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(C[NH+]1CCCCCCC1)NCc1cccc(c1)[*:1]
CCOC(=O)CN(C(=O)c1cc(C(C)C)no1)c1ccc(F)cn1 CCOC(=O)C[*:1] CC(C)c1cc(on1)C(=O)N(c1ccc(F)cn1)[*:1]
CCOC(=O)CN(C(=O)c1cc(C(C)C)no1)c1ccc(F)cn1 CC(C)c1cc(on1)[*:1] CCOC(=O)CN(C(=O)[*:1])c1ccc(F)cn1
CCOC(=O)CN(C(=O)c1cc(C(C)C)no1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] CCOC(=O)CN(C(=O)c1cc(no1)C(C)C)[*:1]
CCOC(=O)CN(C(=O)c1cc(C(C)C)no1)c1ccc(F)cn1 CCOC(=O)[*:1] CC(C)c1cc(on1)C(=O)N(C[*:1])c1ccc(F)cn1
CCOC(=O)CN(C(=O)c1cc(C(C)C)no1)c1ccc(F)cn1 CC(C)[*:1] CCOC(=O)CN(C(=O)c1cc(no1)[*:1])c1ccc(F)cn1
N#Cc1cccc(CNC(=O)c2occc2CSc2ccccc2)c1 N#Cc1cccc(c1)[*:1] O=C(NC[*:1])c1occc1CSc1ccccc1
N#Cc1cccc(CNC(=O)c2occc2CSc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)CNC(=O)c1occc1CS[*:1]
N#Cc1cccc(CNC(=O)c2occc2CSc2ccccc2)c1 c1ccc(cc1)SC[*:1] N#Cc1cccc(c1)CNC(=O)c1occc1[*:1]
N#Cc1cccc(CNC(=O)c2occc2CSc2ccccc2)c1 c1ccc(cc1)S[*:1] N#Cc1cccc(c1)CNC(=O)c1occc1C[*:1]
Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)c1C NC(=O)[*:1] Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H](C2)c2nc3ccccc3cc2[*:1])c(C)c1C
Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)c1C Cc1nn(c(C)c1C)[*:1] C[C@H](C[*:1])C(=O)N1CCC[C@H](C1)c1nc2ccccc2cc1C(N)=O
Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)c1C Cc1nn(C[*:1])c(C)c1C C[C@@H](C(=O)N1CCC[C@H](C1)c1nc2ccccc2cc1C(N)=O)[*:1]
COc1ccc(F)c(NC(=O)NCc2ncc(C(C)(C)C)o2)c1 CC(C)(C)[*:1] COc1ccc(F)c(c1)NC(=O)NCc1ncc(o1)[*:1]
O=C(CN1CCCOC1=O)NCc1cccnc1 c1cncc(c1)[*:1] O=C(CN1CCCOC1=O)NC[*:1]
CC(C)c1ccc(-c2[nH+]ccn2CCn2ccnn2)cc1 CC(C)[*:1] c1cn(CCn2cc[nH+]c2-c2ccc(cc2)[*:1])nn1
CC(C)c1ccc(-c2[nH+]ccn2CCn2ccnn2)cc1 c1cn(nn1)[*:1] CC(C)c1ccc(cc1)-c1[nH+]ccn1CC[*:1]
CC(C)c1ccc(-c2[nH+]ccn2CCn2ccnn2)cc1 c1cn(C[*:1])nn1 CC(C)c1ccc(cc1)-c1[nH+]ccn1C[*:1]
CC(C)c1ccc(-c2[nH+]ccn2CCn2ccnn2)cc1 c1cn(CC[*:1])nn1 CC(C)c1ccc(cc1)-c1[nH+]ccn1[*:1]
CC(C)[NH2+]Cc1ccccc1F CC(C)[*:1] Fc1ccccc1C[NH2+][*:1]
Cc1cc(C)n(-c2ccc(C(=O)N3CCN(CC(N)=O)CC3)cn2)n1 NC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N1CCN(CC1)C[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N3CCN(CC(N)=O)CC3)cn2)n1 Cc1cc(C)n(n1)[*:1] NC(=O)CN1CCN(CC1)C(=O)c1ccc(nc1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N3CCN(CC(N)=O)CC3)cn2)n1 NC(=O)C[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCCC3)c2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C(CNc1cccc(c1)S(=O)(=O)N1CCCCCC1)N[*:1]
COCC(=O)N1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)CC1 COC[*:1] Cc1nn(CN2CCN(CC2)C(=O)[*:1])c(C)c1[N+](=O)[O-]
COCC(=O)N1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)CC1 O=[N+]([O-])[*:1] COCC(=O)N1CCN(CC1)Cn1nc(C)c(c1C)[*:1]
Cc1ccc(C(=O)NCC[NH2+][C@@H](c2ccccn2)C2CCCC2)cc1F Cc1ccc(cc1F)[*:1] O=C(NCC[NH2+][C@@H](c1ccccn1)C1CCCC1)[*:1]
Cc1ccc(C(=O)NCC[NH2+][C@@H](c2ccccn2)C2CCCC2)cc1F c1ccc(nc1)[*:1] Cc1ccc(cc1F)C(=O)NCC[NH2+][C@@H](C1CCCC1)[*:1]
Cc1ccc(C(=O)NCC[NH2+][C@@H](c2ccccn2)C2CCCC2)cc1F C1CCC(C1)[*:1] Cc1ccc(cc1F)C(=O)NCC[NH2+][C@@H](c1ccccn1)[*:1]
O=C(COc1ccc(Cl)cc1Cl)N1CCCSC[C@@H]1C[NH+]1CCCCC1 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])N1CCCSC[C@@H]1C[NH+]1CCCCC1
COC(=O)[C@@]1(F)CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 COC(=O)[*:1] Cc1cc(C)c(c(C)c1C(=O)N1CC[C@](F)(C1)[*:1])[N+](=O)[O-]
COC(=O)[C@@]1(F)CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 O=[N+]([O-])[*:1] COC(=O)[C@@]1(F)CCN(C1)C(=O)c1c(C)cc(C)c(c1C)[*:1]
Cc1c(C)c2c(OCC(=O)NCc3ccc4c(c3)OCO4)cc3c(c2oc1=O)CCC(C)(C)O3 c1cc2OCOc2cc1C[*:1] Cc1c(C)c2c(cc3OC(C)(C)CCc3c2oc1=O)OCC(=O)N[*:1]
Cc1c(C)c2c(OCC(=O)NCc3ccc4c(c3)OCO4)cc3c(c2oc1=O)CCC(C)(C)O3 c1cc2OCOc2cc1[*:1] Cc1c(C)c2c(cc3OC(C)(C)CCc3c2oc1=O)OCC(=O)NC[*:1]
COc1cccc(N2C(=N)C3=C(C)N=NC3=N[C@@H]2SCC(=O)N2CCC(C)CC2)c1 CC1CCN(CC1)C(=O)[*:1] COc1cccc(c1)N1C(=N)C2C(N=NC=2C)=N[C@@H]1SC[*:1]
COc1cccc(N2C(=N)C3=C(C)N=NC3=N[C@@H]2SCC(=O)N2CCC(C)CC2)c1 COc1cccc(c1)[*:1] CC1N=NC2=N[C@H](SCC(=O)N3CCC(C)CC3)N(C(=N)C=12)[*:1]
COc1cccc(N2C(=N)C3=C(C)N=NC3=N[C@@H]2SCC(=O)N2CCC(C)CC2)c1 CC1CCN(CC1)C(=O)C[*:1] COc1cccc(c1)N1C(=N)C2C(N=NC=2C)=N[C@@H]1S[*:1]
C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCCn2nc(CC)nc21 C1CCC(CC1)C[*:1] C=CCN(C(=O)N[C@@H]1CCCn2nc(CC)nc21)[*:1]
C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCCn2nc(CC)nc21 C1CCC(CC1)[*:1] C=CCN(C[*:1])C(=O)N[C@@H]1CCCn2nc(CC)nc21
C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCCn2nc(CC)nc21 C=CC[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N(CC1CCCCC1)[*:1]
O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1ccc2c(=O)n3CCCCCc3nc2c1)N1CCN(CC1)[*:1]
CCc1ccc([C@H]2C[NH+]=C(N)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CCc1ccc(cc1)[C@H]1C[NH+]=C(N)N1C[*:1]
CCc1ccc([C@H]2C[NH+]=C(N)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] CCc1ccc(cc1)[C@H]1C[NH+]=C(N)N1[*:1]
O=C(CSc1ccc(F)cc1)Nc1nc2c(s1)CCCC2 Fc1ccc(cc1)[*:1] O=C(CS[*:1])Nc1nc2CCCCc2s1
C[C@@H](C(=O)[O-])[C@@H](C)C(=O)c1cccc(Cl)c1 O=C([O-])[*:1] C[C@@H](C(=O)c1cccc(Cl)c1)[C@H](C)[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 C[C@@H]1C[C@@H]1C(=O)N[*:1] COC(=O)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 COC(=O)[C@H](C)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 COC(=O)[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@H]1C)[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 C[C@@H]1C[C@@H]1[*:1] COC(=O)[C@H](C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(C)C CC(C)[*:1] CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[*:1]
COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)C4CCC4)CC3)s2)cc1 C1CC(C1)[*:1] COc1ccc(cc1)NC(=O)c1nnc(s1)C1CCN(CC1)C(=O)[*:1]
COc1ccc(NC(=O)c2nnc(C3CCN(C(=O)C4CCC4)CC3)s2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)C1CCN(CC1)C(=O)C1CCC1
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(cc1)C(C)C
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(cc1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 c1cc(ccn1)C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(cc1)C(C)C)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 CC(C)c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2ccncc2)[C@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 COc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccncc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 COc1ccc(cc1)C(=O)[*:1] CC(C)c1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1Cc1ccncc1)[*:1]
O=C([C@@H]1C[C@H]1C1CC1)N1CCc2cc(F)ccc2C1 C1CC1[*:1] O=C([C@@H]1C[C@@H]1[*:1])N1CCc2cc(F)ccc2C1
CO[C@@H](C)[C@@H]([NH3+])CCC[C@@H]1CCCO1 CO[C@@H](C)[*:1] [NH3+][C@@H](CCC[C@@H]1CCCO1)[*:1]
O=C(NCc1ccccc1)N[C@@H]1CCCOc2ccccc21 c1ccc(cc1)[*:1] O=C(NC[*:1])N[C@@H]1CCCOc2ccccc21
O=C(NCc1ccccc1)N[C@@H]1CCCOc2ccccc21 c1ccc(cc1)C[*:1] O=C(N[C@@H]1CCCOc2ccccc21)N[*:1]
CC[C@@](C)(NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)c1sc2cc(F)ccc2c1Cl)[*:1]
Cc1cc(CN2CC[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)no1 c1ccc(cc1)[*:1] Cc1cc(CN2CC[NH+](CC2)[C@H](C(=O)N2CCCCC2)[*:1])no1
Cc1cc(CN2CC[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)no1 Cc1cc(no1)[*:1] O=C([C@H](c1ccccc1)[NH+]1CCN(CC1)C[*:1])N1CCCCC1
Cc1cc(CN2CC[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)no1 Cc1cc(C[*:1])no1 O=C([C@H](c1ccccc1)[NH+]1CCN(CC1)[*:1])N1CCCCC1
Cc1cc(CN2CC[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC2)no1 O=C(N1CCCCC1)[*:1] Cc1cc(CN2CC[NH+](CC2)[C@H](c2ccccc2)[*:1])no1
CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCOC[C@@H]1C1CC1 C1CC1[*:1] CCOC(=O)c1nn(cc1CN1CCOC[C@H]1[*:1])-c1ccccc1
CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCOC[C@@H]1C1CC1 CCOC(=O)[*:1] c1ccc(cc1)-n1cc(CN2CCOC[C@@H]2C2CC2)c(n1)[*:1]
CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCOC[C@@H]1C1CC1 c1ccc(cc1)[*:1] CCOC(=O)c1nn(cc1CN1CCOC[C@@H]1C1CC1)[*:1]
Cc1ccc(NC(=O)CCNC(=O)Nc2ccc3c(c2)COC3)nc1 Cc1ccc(nc1)[*:1] O=C(CCNC(=O)Nc1ccc2COCc2c1)N[*:1]
O=C(Cc1ccccc1Cl)N(Cc1cccs1)C[C@H]1CCCO1 Clc1ccccc1[*:1] O=C(C[*:1])N(Cc1cccs1)C[C@H]1CCCO1
O=C(Cc1ccccc1Cl)N(Cc1cccs1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(Cc1ccccc1Cl)N(Cc1cccs1)C[*:1]
O=C(Cc1ccccc1Cl)N(Cc1cccs1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(Cc1ccccc1Cl)N(Cc1cccs1)[*:1]
O=C(Cc1ccccc1Cl)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)C[*:1] O=C(Cc1ccccc1Cl)N(C[C@H]1CCCO1)[*:1]
O=C(Cc1ccccc1Cl)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)[*:1] O=C(Cc1ccccc1Cl)N(C[C@H]1CCCO1)C[*:1]
Cc1ccc(C)c(N2CCN(C(=O)[C@H](c3ccccc3)N3Cc4ccccc4C3=O)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C([C@H](c1ccccc1)N1Cc2ccccc2C1=O)N1CCN(CC1)[*:1]
Cc1ccc(C)c(N2CCN(C(=O)[C@H](c3ccccc3)N3Cc4ccccc4C3=O)CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)[C@H](N1Cc2ccccc2C1=O)[*:1]
Cc1ccc(C)c(N2CCN(C(=O)[C@H](c3ccccc3)N3Cc4ccccc4C3=O)CC2)c1 O=C1c2ccccc2CN1[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)[C@H](c1ccccc1)[*:1]
CC(=O)c1cccc(NC(=O)CCCc2nnc3ccccn23)c1 CC(=O)[*:1] O=C(CCCc1nnc2ccccn12)Nc1cccc(c1)[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1Cl
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])[C@H]1CC(=O)N(C1)[*:1]
Cc1c(Cl)cccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] Cc1c(Cl)cccc1NC(=O)Cc1ccc(cc1)[*:1]
Cc1c(Cl)cccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 Cc1c(Cl)cccc1[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)N[*:1]
Cc1nn(C)c(C)c1CNC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] Cc1nn(C)c(C)c1CNC(=O)[*:1]
O=C(C1CCCCC1)N1CCC(Nc2ccc(C(F)(F)F)cn2)CC1 C1CCC(CC1)[*:1] O=C(N1CCC(CC1)Nc1ccc(cn1)C(F)(F)F)[*:1]
O=C(C1CCCCC1)N1CCC(Nc2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C(C1CCCCC1)N1CCC(CC1)Nc1ccc(cn1)[*:1]
CCC(=O)Nc1ccc(OC(=O)COc2ccc(Br)cc2Br)cc1 CCC(=O)N[*:1] O=C(COc1ccc(Br)cc1Br)Oc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(OC(=O)COc2ccc(Br)cc2Br)cc1 Brc1ccc(c(Br)c1)[*:1] CCC(=O)Nc1ccc(cc1)OC(=O)CO[*:1]
O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)NN=C[*:1]
O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1cccc(Br)c1 FC(F)(F)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N/N=C/c1cccc(Br)c1
Cc1ccnc(N2CCCC[C@H]2C(=O)[O-])n1 O=C([O-])[*:1] Cc1ccnc(n1)N1CCCC[C@@H]1[*:1]
CCN(Cc1cnc2c(C)cccn12)C[C@@H](C)C(=O)OC COC(=O)[C@H](C)C[*:1] CCN(Cc1cnc2c(C)cccn12)[*:1]
CCN(Cc1cnc2c(C)cccn12)C[C@@H](C)C(=O)OC COC(=O)[*:1] CCN(Cc1cnc2c(C)cccn12)C[C@@H](C)[*:1]
CCN(Cc1cnc2c(C)cccn12)C[C@@H](C)C(=O)OC COC(=O)[C@H](C)[*:1] CCN(Cc1cnc2c(C)cccn12)C[*:1]
Cc1cccc(OCC(=O)Nc2ccccc2C(N)=O)c1C NC(=O)[*:1] Cc1cccc(OCC(=O)Nc2ccccc2[*:1])c1C
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)CC1 Clc1ccc(c(Cl)c1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)C(=O)NN=C[*:1]
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)CC1 COc1ccccc1[*:1] O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)[*:1]
Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)cnn1C Cc1c(cnn1C)[*:1] C[C@@H](NC(=O)[*:1])c1ccc2OCC(=O)Nc2c1
CC[C@H](Cc1ccccc1)N(C)Cc1cnnn1C Cn1nncc1[*:1] CC[C@H](Cc1ccccc1)N(C)C[*:1]
CC[C@H](Cc1ccccc1)N(C)Cc1cnnn1C c1ccc(cc1)[*:1] CC[C@H](C[*:1])N(C)Cc1cnnn1C
Cc1cccc2nc(CS(=O)(=O)c3ccc(C(C)C)cc3)cc(=O)n12 CC(C)[*:1] Cc1cccc2nc(cc(=O)n12)CS(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H](C)c1ccc(C)cc1)C2 Cc1ccc(cc1)[*:1] CC(=O)N1CCC[C@H]1c1ncc2CN(CCc2n1)C(=O)[C@@H](C)[*:1]
CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H](C)c1ccc(C)cc1)C2 Cc1ccc(cc1)[C@H](C)[*:1] CC(=O)N1CCC[C@H]1c1ncc2CN(CCc2n1)C(=O)[*:1]
CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@@H](C)c1ccc(C)cc1)C2 CC(=O)N1CCC[C@@H]1[*:1] Cc1ccc(cc1)[C@H](C)C(=O)N1CCc2nc(ncc2C1)[*:1]
COc1ccc(NC(=O)[C@H](C)Oc2ccc(/C(C)=N\O)cc2)cc1 COc1ccc(cc1)[*:1] C/C(=N/O)c1ccc(cc1)O[C@@H](C)C(=O)N[*:1]
COc1ccc(NC(=O)[C@H](C)Oc2ccc(/C(C)=N\O)cc2)cc1 CC(=NO)[*:1] COc1ccc(cc1)NC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
COc1ccccc1[C@H](O)CNC(=O)Nc1cc(Cl)c(Cl)cc1Cl COc1ccccc1[*:1] O=C(NC[C@@H](O)[*:1])Nc1cc(Cl)c(Cl)cc1Cl
O=C(CCCn1sc2ccccc2c1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCCn1sc2ccccc2c1=O)NC[*:1]
O=C(CCCn1sc2ccccc2c1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CCCn1sc2ccccc2c1=O)N[*:1]
CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@@H](C)CC3)cc(C3CC3)nc21 CC(C)C[*:1] C[C@@H]1CCCN(CC1)C(=O)c1cc(nc2c1c(=O)[nH]c(=O)n2[*:1])C1CC1
CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@@H](C)CC3)cc(C3CC3)nc21 C1CC1[*:1] CC(C)Cn1c(=O)[nH]c(=O)c2c(cc(nc21)[*:1])C(=O)N1CCC[C@@H](C)CC1
CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@@H](C)CC3)cc(C3CC3)nc21 CC(C)[*:1] C[C@@H]1CCCN(CC1)C(=O)c1cc(nc2c1c(=O)[nH]c(=O)n2C[*:1])C1CC1
O=C(CC(F)(F)F)N1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(CC(F)(F)F)N1CCN(CC1)Cc1ccc(F)cc1[*:1]
O=C(CC(F)(F)F)N1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 FC(F)(F)C[*:1] O=C(N1CCN(CC1)Cc1ccc(F)cc1C(F)(F)F)[*:1]
O=C(CC(F)(F)F)N1CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccc(F)cc1C(F)(F)F
CCN(Cc1cccc(C)c1)C(=O)NCC#Cc1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1cccc(C)c1)C(=O)NCC#C[*:1]
CCN(Cc1cccc(C)c1)C(=O)NCC#Cc1ccccc1 Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)NCC#Cc1ccccc1
CNS(=O)(=O)c1cc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)ccc1C c1ccc(cc1)[*:1] CNS(=O)(=O)c1cc(ccc1C)NC(=O)C1CCN(CC1)C(=O)N[*:1]
CNS(=O)(=O)c1cc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)ccc1C CNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C1CCN(CC1)C(=O)Nc1ccccc1
Cc1[nH]c([C@@H]2CC(=O)N(C(C)C)C2)[nH+]c1-c1ccc(F)c(F)c1 CC(C)[*:1] Cc1[nH]c([nH+]c1-c1ccc(F)c(F)c1)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(CCCC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1F NS(=O)(=O)C[*:1] COc1ccc(cc1F)CCCC(=O)N1CCC[C@H](C1)[*:1]
COc1ccc(CCCC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1F NS(=O)(=O)[*:1] COc1ccc(cc1F)CCCC(=O)N1CCC[C@@H](C1)C[*:1]
COc1nc(-c2ccc(Cl)cc2)oc(=O)c1-c1ccccc1 Clc1ccc(cc1)[*:1] COc1nc(oc(=O)c1-c1ccccc1)[*:1]
COc1nc(-c2ccc(Cl)cc2)oc(=O)c1-c1ccccc1 c1ccc(cc1)[*:1] COc1nc(oc(=O)c1[*:1])-c1ccc(Cl)cc1
Cc1noc(C)c1[C@H](C)NC(=O)C(=O)Nc1cnc2ccccc2c1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)[*:1]
COc1cccc(C[C@@]2(CCC(=O)N3CCCC[C@@H]3CO)CCC(=O)N2)c1 COc1cccc(c1)C[*:1] O=C1CC[C@](CCC(=O)N2CCCC[C@@H]2CO)(N1)[*:1]
COc1cccc(C[C@@]2(CCC(=O)N3CCCC[C@@H]3CO)CCC(=O)N2)c1 COc1cccc(c1)[*:1] O=C1CC[C@](CCC(=O)N2CCCC[C@@H]2CO)(C[*:1])N1
Cc1ccc(C(=O)[O-])c(Cl)c1 O=C([O-])[*:1] Cc1ccc(c(Cl)c1)[*:1]
O=C(Nc1ccc(O)cc1)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(Nc1ccc(O)cc1)c1ccc(cc1)[*:1]
O=C(Nc1ccc(O)cc1)c1ccc(-n2ccnn2)cc1 Oc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)-n1ccnn1
O=C(Cc1cccs1)N1C[C@H](O)[C@@H]([NH+]2CCCCCCC2)C1 c1csc(c1)C[*:1] O=C(N1C[C@H](O)[C@H](C1)[NH+]1CCCCCCC1)[*:1]
O=C(Cc1cccs1)N1C[C@H](O)[C@@H]([NH+]2CCCCCCC2)C1 c1csc(c1)[*:1] O=C(C[*:1])N1C[C@H](O)[C@H](C1)[NH+]1CCCCCCC1
C[C@@H](CCC(=O)N1CC[C@@H](C(N)=O)c2ccccc21)c1ccccc1 C[C@@H](c1ccccc1)[*:1] NC(=O)[C@@H]1CCN(C(=O)CC[*:1])c2ccccc21
C[C@@H](CCC(=O)N1CC[C@@H](C(N)=O)c2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CCC(=O)N1CC[C@@H](C(N)=O)c2ccccc21)[*:1]
C[C@@H](CCC(=O)N1CC[C@@H](C(N)=O)c2ccccc21)c1ccccc1 NC(=O)[*:1] C[C@@H](CCC(=O)N1CC[C@@H](c2ccccc21)[*:1])c1ccccc1
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1 C[C@@H]1Cc2cc(ccc2O1)[*:1] Cc1ccc(cc1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nnc(C)s1
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1 Cc1ccc(cc1)[*:1] Cc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2ccc3O[C@H](C)Cc3c2)[C@@H]1[*:1]
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1 Cc1nnc(s1)[*:1] Cc1ccc(cc1)[C@H]1C(C(=O)c2ccc3O[C@H](C)Cc3c2)=C([O-])C(=O)N1[*:1]
CC1(C)[C@H]2OCC[C@@H]2[C@H]1Nc1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1Nc1ccc(Br)c(c1)[*:1]
CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 O=S1(=O)CC[C@H](C1)[*:1] CC[C@@H]1CCCN(C1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccccc1C(=O)NC(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O COc1ccccc1[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)NC(=O)[*:1])C2=O
COc1sc(CN2CCOC[C@@H]2C2CC2)cc1Br C1CC1[*:1] COc1sc(cc1Br)CN1CCOC[C@H]1[*:1]
O=C(CSc1cccc2cccnc12)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1cccc2cccnc12)NC(c1ccccc1)[*:1]
N/C(=N/O)c1c(F)cccc1NC(=O)N1CCOCC1 N/C(=N/O)[*:1] O=C(Nc1cccc(F)c1[*:1])N1CCOCC1
O=C(Cc1ccccc1-c1cccnc1)N1CCC2(C=Cc3ccccc3O2)CC1 c1cncc(c1)[*:1] O=C(Cc1ccccc1[*:1])N1CCC2(C=Cc3ccccc3O2)CC1
C[C@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc2c(c1)CCCC2 c1cn(cn1)[*:1] C[C@H](NC(=O)c1ccc(nc1)[*:1])c1ccc2CCCCc2c1
O=S1(=O)C[C@H]([C@@H](CCl)c2ccc(F)cc2)c2ccccc21 Fc1ccc(cc1)[*:1] O=S1(=O)C[C@@H](c2ccccc21)[C@@H](CCl)[*:1]
Cc1ccc(C[C@@H]2S/C(=N/N=C/c3ccco3)NC2=O)cc1 Cc1ccc(cc1)[*:1] O=C1N/C(=N\N=C\c2ccco2)S[C@H]1C[*:1]
Cc1ccc(C[C@@H]2S/C(=N/N=C/c3ccco3)NC2=O)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C[C@@H]1S/C(=N/N=C[*:1])NC1=O
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCc1ccccn1 COC(=O)[*:1] O=C(CCc1ccccn1)N[C@@H]1CCCCC[C@H]1[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCc1ccccn1 c1ccc(C[*:1])nc1 COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)C[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCc1ccccn1 c1ccc(nc1)[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CC[*:1]
Cc1nn(C)c2c1nc([C@H](C)Cl)n2CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(C)c2c1nc([C@H](C)Cl)n2C[*:1]
Cc1nn(C)c2c1nc([C@H](C)Cl)n2CCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)c2c1nc([C@H](C)Cl)n2CC[*:1]
CC(C)[C@@H](Sc1nnnn1C(C)C)C(=O)N[C@@H]1CCCC[C@H]1C CC(C)[*:1] CC(C)[C@@H](Sc1nnnn1[*:1])C(=O)N[C@@H]1CCCC[C@H]1C
CC(C)[C@@H](Sc1nnnn1C(C)C)C(=O)N[C@@H]1CCCC[C@H]1C CC(C)[*:1] CC(C)n1nnnc1S[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[*:1]
CC(C)[C@@H](Sc1nnnn1C(C)C)C(=O)N[C@@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@H]1[*:1] CC(C)[C@@H](Sc1nnnn1C(C)C)C(=O)N[*:1]
COc1ccc(CNC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3ccc(C)nc32)cc1 COc1ccc(cc1)C[*:1] Cc1ccc2c(=O)c(cn(CC(=O)N[*:1])c2n1)S(=O)(=O)c1ccccc1
COc1ccc(CNC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3ccc(C)nc32)cc1 COc1ccc(cc1)[*:1] Cc1ccc2c(=O)c(cn(CC(=O)NC[*:1])c2n1)S(=O)(=O)c1ccccc1
COc1ccc(CNC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3ccc(C)nc32)cc1 O=S(=O)(c1ccccc1)[*:1] COc1ccc(cc1)CNC(=O)Cn1cc(c(=O)c2ccc(C)nc21)[*:1]
COc1ccc(CNC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3ccc(C)nc32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)Cn1cc(c(=O)c2ccc(C)nc21)S(=O)(=O)[*:1]
Cn1c(C[NH+]2CCCCC2)nnc1C1CCN(c2nccs2)CC1 c1csc(n1)[*:1] Cn1c(C[NH+]2CCCCC2)nnc1C1CCN(CC1)[*:1]
COc1ccc(C(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2N)cc1 COc1ccc(cc1)[*:1] Nn1c(nnc1-c1cc(n[nH]1)-c1ccc(F)cc1)SCC(=O)[*:1]
COc1ccc(C(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2N)cc1 COc1ccc(cc1)C(=O)[*:1] Nn1c(nnc1-c1cc(n[nH]1)-c1ccc(F)cc1)SC[*:1]
COc1ccc(C(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2N)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)CSc1nnc(-c2cc(n[nH]2)[*:1])n1N
CCN(Cc1ccccc1)C[C@@H]1CCC(C)(C)[C@@H]1[NH3+] c1ccc(cc1)[*:1] CCN(C[C@@H]1CCC(C)(C)[C@@H]1[NH3+])C[*:1]
CCN(C1CC1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F O=C([O-])[*:1] CCN(C1CC1)S(=O)(=O)c1ccc(F)c(c1F)[*:1]
CCN(C1CC1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F C1CC1[*:1] CCN(S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[*:1]
O=S(=O)(c1ccc(/N=C/c2ccccc2)cc1)N1CCc2ccccc21 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(cc1)N=C[*:1])N1CCc2ccccc21
O=S(=O)(c1ccc(/N=C/c2ccccc2)cc1)N1CCc2ccccc21 C(=N[*:1])c1ccccc1 O=S(=O)(c1ccc(cc1)[*:1])N1CCc2ccccc21
Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 Fc1cccc(c1)[*:1] Cc1nc2sc(c(O)n2n1)[C@H](N1CCN(CC1)c1ccccc1F)[*:1]
Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 Fc1ccccc1[*:1] Cc1nc2sc(c(O)n2n1)[C@H](c1cccc(F)c1)N1CCN(CC1)[*:1]
CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)c(C)c3)ccc21 Cc1cc(ccc1F)[*:1] CCS(=O)(=O)N1CCCc2cc(ccc21)NS(=O)(=O)[*:1]
O=S(=O)(c1ccccc1)N(Cc1cccc(F)c1F)c1nccs1 Fc1cccc(c1F)[*:1] O=S(=O)(c1ccccc1)N(C[*:1])c1nccs1
O=S(=O)(c1ccccc1)N(Cc1cccc(F)c1F)c1nccs1 c1csc(n1)[*:1] O=S(=O)(c1ccccc1)N(Cc1cccc(F)c1F)[*:1]
O=S(=O)(c1ccccc1)N(Cc1cccc(F)c1F)c1nccs1 c1ccc(cc1)[*:1] O=S(=O)(N(Cc1cccc(F)c1F)c1nccs1)[*:1]
O=c1cc(CN2CCN(CC(F)(F)F)CC2)[nH+]c2sccn12 FC(F)(F)[*:1] O=c1cc(CN2CCN(CC2)C[*:1])[nH+]c2sccn12
O=c1cc(CN2CCN(CC(F)(F)F)CC2)[nH+]c2sccn12 FC(F)(F)C[*:1] O=c1cc(CN2CCN(CC2)[*:1])[nH+]c2sccn12
CCCc1cc(NC(=O)N2CCN(c3ccc(O)cc3)CC2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)N1CCN(CC1)c1ccc(O)cc1)[*:1]
CCCc1cc(NC(=O)N2CCN(c3ccc(O)cc3)CC2)n(C)n1 Oc1ccc(cc1)[*:1] CCCc1cc(NC(=O)N2CCN(CC2)[*:1])n(C)n1
C[C@]([NH2+]Cc1nc(-c2ccsc2)no1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@]([NH2+]Cc1nc(no1)-c1ccsc1)(C(=O)[O-])[*:1]
C[C@]([NH2+]Cc1nc(-c2ccsc2)no1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@]([NH2+]Cc1nc(no1)-c1ccsc1)(C(F)(F)F)[*:1]
C[C@]([NH2+]Cc1nc(-c2ccsc2)no1)(C(=O)[O-])C(F)(F)F c1cc(cs1)[*:1] C[C@]([NH2+]Cc1nc(no1)[*:1])(C(=O)[O-])C(F)(F)F
CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 COc1cccc(c1)[*:1] CCCc1nnc2S[C@@H](C(=O)N[*:1])[C@H](Nn12)c1ccc(F)cc1
CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 Fc1ccc(cc1)[*:1] CCCc1nnc2S[C@@H](C(=O)Nc3cccc(c3)OC)[C@@H](Nn12)[*:1]
CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 CCC[*:1] COc1cccc(c1)NC(=O)[C@@H]1Sc2nnc(n2N[C@@H]1c1ccc(F)cc1)[*:1]
CN(C)C(=O)c1cccc(CN2CCc3c([nH+]cn3C)C2)c1 CN(C)C(=O)[*:1] Cn1c[nH+]c2CN(CCc21)Cc1cccc(c1)[*:1]
COc1ccc(Cc2noc([C@H]3C[C@@H]3c3ccccc3C)n2)cc1OC Cc1ccccc1[*:1] COc1ccc(cc1OC)Cc1noc(n1)[C@H]1C[C@H]1[*:1]
C[C@@H](CCCO)Nc1ccc(Cl)cc1C(=O)[O-] OCCC[*:1] C[C@@H](Nc1ccc(Cl)cc1C(=O)[O-])[*:1]
C[C@@H](CCCO)Nc1ccc(Cl)cc1C(=O)[O-] O=C([O-])[*:1] C[C@@H](CCCO)Nc1ccc(Cl)cc1[*:1]
C[C@@H](CCCO)Nc1ccc(Cl)cc1C(=O)[O-] OCC[*:1] C[C@@H](C[*:1])Nc1ccc(Cl)cc1C(=O)[O-]
O=C(O[C@H]1[C@H](Oc2ccc(O)cc2CO)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1 O=C(O[*:1])c1ccccc1 OCc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1[*:1]
O=C(O[C@H]1[C@H](Oc2ccc(O)cc2CO)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1 OCc1cc(O)ccc1[*:1] O=C(O[C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[*:1])c1ccccc1
O=C(O[C@H]1[C@H](Oc2ccc(O)cc2CO)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1 c1ccc(cc1)[*:1] O=C(O[C@H]1[C@H](Oc2ccc(O)cc2CO)O[C@H](CO)[C@@H](O)[C@@H]1O)[*:1]
CCOc1ccccc1[C@@H]1C[C@@H]1[C@@H](C)O C[C@@H](O)[*:1] CCOc1ccccc1[C@@H]1C[C@H]1[*:1]
CCOc1ccccc1[C@@H]1C[C@@H]1[C@@H](C)O CCO[*:1] C[C@@H](O)[C@H]1C[C@H]1c1ccccc1[*:1]
CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc[n+]2[O-])cc1OC [O-][n+]1ccccc1[*:1] CCS(=O)(=O)[N-]c1ccc(cc1OC)NC(=O)[*:1]
CCCOc1ccc(N2C(=O)C[C@H](N3CCC[C@H](C(N)=O)C3)C2=O)cc1 NC(=O)[*:1] CCCOc1ccc(cc1)N1C(=O)C[C@@H](C1=O)N1CCC[C@H](C1)[*:1]
CCCOc1ccc(N2C(=O)C[C@H](N3CCC[C@H](C(N)=O)C3)C2=O)cc1 CCCO[*:1] NC(=O)[C@H]1CCCN(C1)[C@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
CCCOc1ccc(N2C(=O)C[C@H](N3CCC[C@H](C(N)=O)C3)C2=O)cc1 CCC[*:1] NC(=O)[C@H]1CCCN(C1)[C@H]1CC(=O)N(C1=O)c1ccc(cc1)O[*:1]
O=C([O-])[C@@H](NC(=O)[C@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)C1CC1 C1CC1[*:1] O=C([O-])[C@@H](NC(=O)[C@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)[*:1]
O=C([O-])[C@@H](NC(=O)[C@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)C1CC1 O=C([O-])[*:1] O=C(N[C@@H](C1CC1)[*:1])[C@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1
CC(C)C(=O)N1CCC(C(=O)O[C@H](C)c2ccccn2)CC1 CC(C)[*:1] C[C@@H](OC(=O)C1CCN(CC1)C(=O)[*:1])c1ccccn1
CC(C)C(=O)N1CCC(C(=O)O[C@H](C)c2ccccn2)CC1 c1ccc(nc1)[*:1] CC(C)C(=O)N1CCC(CC1)C(=O)O[C@H](C)[*:1]
COCC[C@@H](C)NC(=O)N[C@@](C)(CO)C1CCCCC1 COCC[C@@H](C)[*:1] C[C@@](CO)(NC(=O)N[*:1])C1CCCCC1
COCC[C@@H](C)NC(=O)N[C@@](C)(CO)C1CCCCC1 COCC[*:1] C[C@@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)[*:1]
COCC[C@@H](C)NC(=O)N[C@@](C)(CO)C1CCCCC1 COC[*:1] C[C@H](C[*:1])NC(=O)N[C@@](C)(CO)C1CCCCC1
COCC[C@@H](C)NC(=O)N[C@@](C)(CO)C1CCCCC1 C1CCC(CC1)[*:1] COCC[C@@H](C)NC(=O)N[C@@](C)(CO)[*:1]
O=C(CSc1nnc(-c2ccccc2)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(s1)[*:1])N/N=C/c1ccc(cc1)[N+](=O)[O-]
O=C(CSc1nnc(-c2ccccc2)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CSc1nnc(s1)-c1ccccc1)NN=C[*:1]
O=C(CSc1nnc(-c2ccccc2)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(CSc1nnc(s1)-c1ccccc1)N/N=C/c1ccc(cc1)[*:1]
Cn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c2ccccc21 FC(F)(F)c1cccc(c1)[*:1] Cn1cc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c2ccccc21
Cn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c2ccccc21 FC(F)(F)[*:1] Cn1cc(C(=O)N2CCN(CC2)S(=O)(=O)c2cccc(c2)[*:1])c2ccccc21
Cn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c2ccccc21 Cn1cc(c2ccccc21)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
O=[S@](Cc1ncn(-c2ccccc2)n1)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=[S@](Cc1ncn(n1)[*:1])c1ccc2ccccc2c1
CCN(CC)C(=O)c1cccc(NCC(=O)Nc2c(C)cc(C)cc2C)c1 Cc1cc(C)c(c(C)c1)[*:1] CCN(CC)C(=O)c1cccc(c1)NCC(=O)N[*:1]
CCN(CC)C(=O)c1cccc(NCC(=O)Nc2c(C)cc(C)cc2C)c1 CCN(CC)C(=O)[*:1] Cc1cc(C)c(NC(=O)CNc2cccc(c2)[*:1])c(C)c1
CNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] CNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1[*:1]
CNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1N1CCCC1=O CNC(=O)[*:1] O=C1CCCN1c1ccccc1NC(=O)N1CCC[C@@H]1[*:1]
CC(C)Oc1ccc([C@@H](C)Nc2cncc(C(N)=O)n2)cc1 CC(C)O[*:1] C[C@@H](Nc1cncc(n1)C(N)=O)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@@H](C)Nc2cncc(C(N)=O)n2)cc1 CC(C)[*:1] C[C@@H](Nc1cncc(n1)C(N)=O)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@@H](C)Nc2cncc(C(N)=O)n2)cc1 NC(=O)[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)Nc1cncc(n1)[*:1]
O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1c2ccccc2cc2ccccc12 Fc1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N/N=C/c1c2ccccc2cc2ccccc12
O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1c2ccccc2cc2ccccc12 O=C(N[*:1])c1ccc(F)cc1 O=C(C[*:1])N/N=C/c1c2ccccc2cc2ccccc12
O=C(c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)N1CCOCC1 c1ccc(cc1)[*:1] O=C(c1cn(nc1-c1ccc2OCCOc2c1)[*:1])N1CCOCC1
O=C(c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1ccc(cc1)-n1cc(c(n1)-c1ccc2OCCOc2c1)[*:1]
Cc1c(C(=O)NCCCn2cc[nH+]c2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 Clc1ccccc1[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)NCCCn1cc[nH+]c1
O=C(c1ccoc1)N1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 c1cc(co1)[*:1] O=C(c1cc([nH]n1)-c1ccncc1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccoc1)N1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 c1cc(ccn1)[*:1] O=C(c1ccoc1)N1CCN(CC1)C(=O)c1cc([nH]n1)[*:1]
COc1ccc([C@H](CNC(=O)c2n[nH]c(C3CC3)c2Cl)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1n[nH]c(c1Cl)C1CC1)[*:1]
COc1ccc([C@H](CNC(=O)c2n[nH]c(C3CC3)c2Cl)[NH+](C)C)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](CNC(=O)c1n[nH]c(c1Cl)[*:1])[NH+](C)C
NC(=O)C1([NH2+]Cc2cc(-c3ccccc3)no2)CCCC1 c1ccc(cc1)[*:1] NC(=O)C1(CCCC1)[NH2+]Cc1cc(no1)[*:1]
NC(=O)C1([NH2+]Cc2cc(-c3ccccc3)no2)CCCC1 NC(=O)[*:1] c1ccc(cc1)-c1cc(C[NH2+]C2(CCCC2)[*:1])on1
COc1cccc2c1OC[C@H](NC(=O)[C@H]1CN(C)CCO1)C2 CN1CCO[C@H](C1)[*:1] COc1cccc2C[C@H](COc21)NC(=O)[*:1]
CC(C)=CC(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 CC(C)=CC(=O)O[*:1] O=C(C[*:1])c1ccc2Cc3ccccc3-c2c1
CC(C)=CC(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 CC(C)=C[*:1] O=C(COC(=O)[*:1])c1ccc2Cc3ccccc3-c2c1
C[C@@H]1CCc2c(sc3nc(S[C@H](C)C(=O)NCC(F)(F)F)n(C[C@@H]4CCCO4)c(=O)c23)C1 C1CO[C@@H](C1)C[*:1] C[C@@H]1CCc2c(C1)sc1nc(S[C@H](C)C(=O)NCC(F)(F)F)n(c(=O)c21)[*:1]
C[C@@H]1CCc2c(sc3nc(S[C@H](C)C(=O)NCC(F)(F)F)n(C[C@@H]4CCCO4)c(=O)c23)C1 FC(F)(F)[*:1] C[C@@H]1CCc2c(C1)sc1nc(S[C@H](C)C(=O)NC[*:1])n(C[C@@H]3CCCO3)c(=O)c21
C[C@@H]1CCc2c(sc3nc(S[C@H](C)C(=O)NCC(F)(F)F)n(C[C@@H]4CCCO4)c(=O)c23)C1 C1CO[C@@H](C1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(S[C@H](C)C(=O)NCC(F)(F)F)n(C[*:1])c(=O)c21
C[C@@H]1CCc2c(sc3nc(S[C@H](C)C(=O)NCC(F)(F)F)n(C[C@@H]4CCCO4)c(=O)c23)C1 C[C@H](C(=O)NCC(F)(F)F)[*:1] C[C@@H]1CCc2c(C1)sc1nc(S[*:1])n(C[C@@H]3CCCO3)c(=O)c21
C[C@@H]1CCc2c(sc3nc(S[C@H](C)C(=O)NCC(F)(F)F)n(C[C@@H]4CCCO4)c(=O)c23)C1 O=C(NCC(F)(F)F)[*:1] C[C@@H]1CCc2c(C1)sc1nc(S[C@H](C)[*:1])n(C[C@@H]3CCCO3)c(=O)c21
C[C@@H]1CCc2c(sc3nc(S[C@H](C)C(=O)NCC(F)(F)F)n(C[C@@H]4CCCO4)c(=O)c23)C1 FC(F)(F)C[*:1] C[C@@H]1CCc2c(C1)sc1nc(S[C@H](C)C(=O)N[*:1])n(C[C@@H]3CCCO3)c(=O)c21
COc1ccc(NC(=O)[C@H]2CCCN(c3nccc(C)n3)C2)cc1OC Cc1ccnc(n1)[*:1] COc1ccc(cc1OC)NC(=O)[C@H]1CCCN(C1)[*:1]
CO[C@H]1CCC[C@@H](C(=O)NCCc2nc(C)ncc2-c2onc(C)c2C)C1 Cc1noc(c1C)[*:1] CO[C@H]1CCC[C@H](C1)C(=O)NCCc1nc(C)ncc1[*:1]
CN(C)C(=O)c1ccc(CN[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)[nH]1 CN(C)C(=O)[*:1] FC(F)(F)c1ccccc1[C@H]1CCC[C@@H]1NCc1ccc([nH]1)[*:1]
CN(C)C(=O)c1ccc(CN[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)[nH]1 FC(F)(F)[*:1] CN(C)C(=O)c1ccc(CN[C@H]2CCC[C@@H]2c2ccccc2[*:1])[nH]1
CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1cc(C)sc1C CCC(C)(C)[*:1] Cc1cc(c(C)s1)[C@H](C)[NH2+]CC(=O)N[*:1]
C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(C(=O)c3cccc(F)c3)CC2)C1=O C=C(C)[*:1] CC[C@]1(NC(=O)N(C[*:1])C1=O)C1CCN(CC1)C(=O)c1cccc(F)c1
C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(C(=O)c3cccc(F)c3)CC2)C1=O C=C(C)C[*:1] CC[C@]1(NC(=O)N(C1=O)[*:1])C1CCN(CC1)C(=O)c1cccc(F)c1
C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(C(=O)c3cccc(F)c3)CC2)C1=O Fc1cccc(c1)[*:1] C=C(C)CN1C(=O)N[C@](CC)(C1=O)C1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1ccccc1[C@H]([NH3+])CO CC(=O)N[*:1] [NH3+][C@H](CO)c1ccccc1[*:1]
N#CCC(=O)NNC(=O)c1ccccc1C(=O)[O-] N#CC[*:1] O=C([O-])c1ccccc1C(=O)NNC(=O)[*:1]
N#CCC(=O)NNC(=O)c1ccccc1C(=O)[O-] O=C([O-])[*:1] N#CCC(=O)NNC(=O)c1ccccc1[*:1]
Cc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)c1c(nnn1[*:1])C(=O)NCc1ccccc1
Cc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)NCc2ccccc2)c1[*:1]
Cc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2C(C)C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)NC[*:1])c1C(C)C
Cc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2C(C)C)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N[*:1])c1C(C)C
CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[C@H](C)[C@@H](O)C3)cc(C3CC3)nc21 C1CC1[*:1] CCn1c(=O)[nH]c(=O)c2c(cc(nc21)[*:1])C(=O)N1CC[C@H](C)[C@@H](O)C1
N#Cc1ccccc1NC(=O)c1cc2c(=O)n3ccccc3nc2s1 N#Cc1ccccc1[*:1] O=C(N[*:1])c1cc2c(=O)n3ccccc3nc2s1
COC(=O)c1cncc(N2C[C@@H]3C[NH2+]C[C@H]3C2)n1 COC(=O)[*:1] c1ncc(nc1N1C[C@@H]2C[NH2+]C[C@H]2C1)[*:1]
O=S(=O)(Cc1cc(-c2ccccc2)on1)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=S(=O)(Cc1cc(on1)-c1ccccc1)Cc1coc(n1)[*:1]
O=S(=O)(Cc1cc(-c2ccccc2)on1)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=S(=O)(Cc1cc(on1)[*:1])Cc1coc(n1)-c1ccccc1
CCc1ccccc1OCC(=O)N1CC[C@](F)(C(=O)OC)C1 COC(=O)[*:1] CCc1ccccc1OCC(=O)N1CC[C@](F)(C1)[*:1]
CC(C)(C)C1CCC([NH2+]CCC(=O)N2CCCC2)CC1 CC(C)(C)[*:1] O=C(CC[NH2+]C1CCC(CC1)[*:1])N1CCCC1
O=C(NC1(c2ccc(Br)cc2)CC1)c1csc(-c2ccccn2)n1 c1ccc(nc1)[*:1] O=C(NC1(CC1)c1ccc(Br)cc1)c1csc(n1)[*:1]
O=C(NC1(c2ccc(Br)cc2)CC1)c1csc(-c2ccccn2)n1 Brc1ccc(cc1)[*:1] O=C(NC1(CC1)[*:1])c1csc(n1)-c1ccccn1
Cc1ccc2nc(/C(C#N)=C/c3c[nH]nc3-c3ccc(F)cc3)[nH]c2c1 Fc1ccc(cc1)[*:1] Cc1ccc2nc([nH]c2c1)/C(C#N)=C/c1c[nH]nc1[*:1]
CNC(=O)CCOc1c(F)cc(C[C@H](C)[NH3+])cc1F CNC(=O)[*:1] C[C@H]([NH3+])Cc1cc(F)c(OCC[*:1])c(F)c1
CNC(=O)CCOc1c(F)cc(C[C@H](C)[NH3+])cc1F CNC(=O)CC[*:1] C[C@H]([NH3+])Cc1cc(F)c(O[*:1])c(F)c1
CNC(=O)CCOc1c(F)cc(C[C@H](C)[NH3+])cc1F CNC(=O)C[*:1] C[C@H]([NH3+])Cc1cc(F)c(OC[*:1])c(F)c1
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc2sc3CCCCc3c2c(=O)n1-c1ccccc1)NC[*:1]
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1nc2sc3CCCCc3c2c(=O)n1-c1ccccc1)N[*:1]
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] O=c1c2c3CCCCc3sc2nc(SC[*:1])n1-c1ccccc1
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc2sc3CCCCc3c2c(=O)n1[*:1])NCc1ccccc1
CCOCC[S@](=O)Cc1cc(=O)n2c(C)csc2n1 CCO[*:1] Cc1csc2nc(cc(=O)n12)C[S@@](=O)CC[*:1]
CCOCC[S@](=O)Cc1cc(=O)n2c(C)csc2n1 CCOC[*:1] Cc1csc2nc(cc(=O)n12)C[S@@](=O)C[*:1]
CCOCC[S@](=O)Cc1cc(=O)n2c(C)csc2n1 CCOCC[*:1] Cc1csc2nc(cc(=O)n12)C[S@@](=O)[*:1]
O=C(CCCCO)N1CCO[C@@H]2CCC[C@@H]21 OCCCC[*:1] O=C(N1CCO[C@@H]2CCC[C@@H]21)[*:1]
O=C(CCCCO)N1CCO[C@@H]2CCC[C@@H]21 OCC[*:1] O=C(CC[*:1])N1CCO[C@@H]2CCC[C@@H]21
O=C(CCCCO)N1CCO[C@@H]2CCC[C@@H]21 OCCC[*:1] O=C(C[*:1])N1CCO[C@@H]2CCC[C@@H]21
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)NCc1cc[nH+]c(N(C)C)c1 CN(C)[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)NCc1cc[nH+]c(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)NCc1cc[nH+]c(N(C)C)c1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN(C)C(=O)NCc1cc[nH+]c(c1)N(C)C)[*:1]
O=C([O-])CC[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C([O-])CC[NH+]1CCC(CC1)n1nccc1NC(=O)[*:1]
O=C([O-])CC[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 O=C([O-])[*:1] O=C(Nc1ccnn1C1CC[NH+](CC1)CC[*:1])c1ccccc1Cl
CC(C)N1C[C@@H](C(=O)NCc2ccc(NC(N)=O)cc2)CC1=O CC(C)[*:1] NC(=O)Nc1ccc(cc1)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)N1C[C@@H](C(=O)NCc2ccc(NC(N)=O)cc2)CC1=O NC(=O)N[*:1] CC(C)N1C[C@H](CC1=O)C(=O)NCc1ccc(cc1)[*:1]
C=CCO[C@H](C)C(=O)N(C[C@H]1CCCO1)c1ccncc1 C1CO[C@H](C1)C[*:1] C=CCO[C@H](C)C(=O)N(c1ccncc1)[*:1]
C=CCO[C@H](C)C(=O)N(C[C@H]1CCCO1)c1ccncc1 C1CO[C@H](C1)[*:1] C=CCO[C@H](C)C(=O)N(C[*:1])c1ccncc1
C=CCO[C@H](C)C(=O)N(C[C@H]1CCCO1)c1ccncc1 C=CCO[*:1] C[C@H](C(=O)N(C[C@H]1CCCO1)c1ccncc1)[*:1]
C=CCO[C@H](C)C(=O)N(C[C@H]1CCCO1)c1ccncc1 c1cc(ccn1)[*:1] C=CCO[C@H](C)C(=O)N(C[C@H]1CCCO1)[*:1]
C=CCO[C@H](C)C(=O)N(C[C@H]1CCCO1)c1ccncc1 C=CC[*:1] C[C@@H](O[*:1])C(=O)N(C[C@H]1CCCO1)c1ccncc1
CCc1noc(C)c1C(=O)Nc1cccnc1N1CCCCC1 C1CCN(CC1)[*:1] CCc1noc(C)c1C(=O)Nc1cccnc1[*:1]
CS(=O)(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc2ccccc12
CC(C)Oc1cccnc1C(=O)Oc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)Oc1cccnc1C(=O)Oc1ccc(cc1)O[*:1]
CC(C)Oc1cccnc1C(=O)Oc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CC(C)Oc1cccnc1C(=O)Oc1ccc(cc1)[*:1]
CC(C)Oc1cccnc1C(=O)Oc1ccc(OC(F)(F)F)cc1 CC(C)O[*:1] O=C(Oc1ccc(cc1)OC(F)(F)F)c1ncccc1[*:1]
CC(C)Oc1cccnc1C(=O)Oc1ccc(OC(F)(F)F)cc1 CC(C)[*:1] O=C(Oc1ccc(cc1)OC(F)(F)F)c1ncccc1O[*:1]
CN(Cc1cnn(C)c1)C(=O)Nc1cccc2cnccc12 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)Nc1cccc2cnccc12
CN(Cc1cnn(C)c1)C(=O)Nc1cccc2cnccc12 Cn1cc(cn1)C[*:1] CN(C(=O)Nc1cccc2cnccc12)[*:1]
O=S(=O)(Oc1cccc(I)c1)c1ccc2c(c1)OCCCO2 Ic1cccc(c1)[*:1] O=S(=O)(O[*:1])c1ccc2OCCCOc2c1
CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C#N)o2)cc1 C[C@@H](C#N)OC(=O)[*:1] CC(=O)c1ccc(cc1)-c1ccc(o1)[*:1]
CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C#N)o2)cc1 CC(=O)[*:1] C[C@@H](C#N)OC(=O)c1ccc(o1)-c1ccc(cc1)[*:1]
Cc1ccc(Oc2ncnc(NC34CC5CC(CC(C5)C3)C4)c2N)cc1 Cc1ccc(cc1)[*:1] Nc1c(ncnc1O[*:1])NC12CC3CC(CC(C3)C1)C2
Cc1ccc(Oc2ncnc(NC34CC5CC(CC(C5)C3)C4)c2N)cc1 Cc1ccc(cc1)O[*:1] Nc1c(ncnc1[*:1])NC12CC3CC(CC(C3)C1)C2
C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCCC[C@H]1[S@](=O)CC C#CCO[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(F)ccc1[*:1]
C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCCC[C@H]1[S@](=O)CC C#CC[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(F)ccc1O[*:1]
Cc1cccc(OCCn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c1 Cc1cccc(c1)[*:1] O=c1ccc(cn1CCO[*:1])S(=O)(=O)N1CCCC1
Cc1cccc(OCCn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c1 O=S(=O)(N1CCCC1)[*:1] Cc1cccc(c1)OCCn1cc(ccc1=O)[*:1]
Cc1cccc(OCCn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c1 Cc1cccc(c1)O[*:1] O=c1ccc(cn1CC[*:1])S(=O)(=O)N1CCCC1
N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1 Clc1ccccc1[*:1] N=C1NC(=O)/C(=C/c2ccc(cc2)OC[*:1])S1
C[C@H](CCO)Sc1ccc(C(N)=[NH2+])cn1 OCC[*:1] C[C@H](Sc1ccc(cn1)C(N)=[NH2+])[*:1]
C[C@H](CCO)Sc1ccc(C(N)=[NH2+])cn1 NC(=[NH2+])[*:1] C[C@H](CCO)Sc1ccc(cn1)[*:1]
C[C@H](CCO)Sc1ccc(C(N)=[NH2+])cn1 C[C@H](CCO)[*:1] NC(=[NH2+])c1ccc(nc1)S[*:1]
Cc1ccc([C@@H](C)NC(=O)NNC(=O)c2cccc(N(C)C)c2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)NNC(=O)c1cccc(c1)N(C)C)[*:1]
Cc1ccc([C@@H](C)NC(=O)NNC(=O)c2cccc(N(C)C)c2)cc1F CN(C)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)NNC(=O)c1cccc(c1)[*:1]
CCCN1CCO[C@H]([C@H]([NH3+])c2cnccc2C)C1 CCC[*:1] Cc1ccncc1[C@@H]([NH3+])[C@@H]1CN(CCO1)[*:1]
CCCN[C@H](C)c1cc[nH+]c(N2CCCC2)c1 CCC[*:1] C[C@@H](N[*:1])c1cc[nH+]c(c1)N1CCCC1
CCCN[C@H](C)c1cc[nH+]c(N2CCCC2)c1 C1CCN(C1)[*:1] CCCN[C@H](C)c1cc[nH+]c(c1)[*:1]
CCCN[C@H](C)c1cc[nH+]c(N2CCCC2)c1 CCCN[*:1] C[C@H](c1cc[nH+]c(c1)N1CCCC1)[*:1]
CN(C)C(=O)c1cccc(C[NH+]2CCN(C[C@@H](O)C(C)(C)C)CC2)c1 CN(C)C(=O)[*:1] CC(C)(C)[C@H](O)CN1CC[NH+](CC1)Cc1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(C[NH+]2CCN(C[C@@H](O)C(C)(C)C)CC2)c1 CC(C)(C)[C@H](O)C[*:1] CN(C)C(=O)c1cccc(c1)C[NH+]1CCN(CC1)[*:1]
CN(C)C(=O)c1cccc(C[NH+]2CCN(C[C@@H](O)C(C)(C)C)CC2)c1 CC(C)(C)[C@H](O)[*:1] CN(C)C(=O)c1cccc(c1)C[NH+]1CCN(CC1)C[*:1]
CN(C)C(=O)c1cccc(C[NH+]2CCN(C[C@@H](O)C(C)(C)C)CC2)c1 CC(C)(C)[*:1] CN(C)C(=O)c1cccc(c1)C[NH+]1CCN(CC1)C[C@@H](O)[*:1]
CCc1c[nH+]c(C)nc1N1CCC[C@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 COc1ccccc1[*:1] CCc1c[nH+]c(C)nc1N1CCC[C@@H](C1)[NH+]1CCN(CC1)[*:1]
Cc1cccc(OCCn2cnc3sc4c(c3c2=O)CCC4)c1 Cc1cccc(c1)[*:1] O=c1c2c3CCCc3sc2ncn1CCO[*:1]
Fc1cccc2c1SCC[C@@H]2NC1COC1 C1OCC1N[*:1] Fc1cccc2c1SCC[C@H]2[*:1]
Fc1cccc2c1SCC[C@@H]2NC1COC1 C1OCC1[*:1] Fc1cccc2c1SCC[C@@H]2N[*:1]
Nc1cn[nH]c1NC(=O)[C@H]1COc2ccccc21 Nc1cn[nH]c1[*:1] O=C(N[*:1])[C@H]1COc2ccccc21
COc1cc(C)ccc1NC(=O)C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(C)ccc1NC(=O)C[C@@H](O)[*:1]
Cc1cc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])NC[C@H](C(C)C)N1CC[NH+](C)CC1
Cc1cc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] CC(C)[*:1] Cc1cc(ncc1[N+](=O)[O-])NC[C@H](N1CC[NH+](C)CC1)[*:1]
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@](C)(O)c2ccccc2)n1 CC(C)[*:1] C[C@](O)(CNC(=O)C(=O)Nc1nn(cc1C#N)[*:1])c1ccccc1
CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@](C)(O)c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)NC[C@](C)(O)[*:1]
CC(=O)N[C@@H](CC(=O)N(C)Cc1nccs1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N(C)Cc1nccs1)[*:1]
CC(=O)N[C@@H](CC(=O)N(C)Cc1nccs1)c1ccc(C)cc1 c1csc(C[*:1])n1 CC(=O)N[C@@H](CC(=O)N(C)[*:1])c1ccc(C)cc1
CC(=O)N[C@@H](CC(=O)N(C)Cc1nccs1)c1ccc(C)cc1 c1csc(n1)[*:1] CC(=O)N[C@@H](CC(=O)N(C)C[*:1])c1ccc(C)cc1
CC(=O)N[C@@H](CC(=O)N(C)Cc1nccs1)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@H](CC(=O)N(C)Cc1nccs1)[*:1]
O=C(Nc1cn[nH]c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1cn[nH]c1)c1nnn(-c2ccc(F)cc2)c1[*:1]
O=C(Nc1cn[nH]c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F Fc1ccc(cc1)[*:1] O=C(Nc1cn[nH]c1)c1nnn(c1C(F)(F)F)[*:1]
O=C(Nc1cn[nH]c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F O=C(Nc1cn[nH]c1)[*:1] Fc1ccc(cc1)-n1nnc(c1C(F)(F)F)[*:1]
O=C(Nc1cn[nH]c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F c1n[nH]cc1[*:1] O=C(N[*:1])c1nnn(-c2ccc(F)cc2)c1C(F)(F)F
C[C@]1(C(=O)N2CCC(OCCC[NH3+])CC2)CCCO1 [NH3+]CCCO[*:1] C[C@@]1(CCCO1)C(=O)N1CCC(CC1)[*:1]
C[C@]1(C(=O)N2CCC(OCCC[NH3+])CC2)CCCO1 [NH3+]CC[*:1] C[C@@]1(CCCO1)C(=O)N1CCC(CC1)OC[*:1]
C[C@]1(C(=O)N2CCC(OCCC[NH3+])CC2)CCCO1 C[C@@]1(CCCO1)[*:1] [NH3+]CCCOC1CCN(CC1)C(=O)[*:1]
C[C@]1(C(=O)N2CCC(OCCC[NH3+])CC2)CCCO1 [NH3+]CCC[*:1] C[C@@]1(CCCO1)C(=O)N1CCC(CC1)O[*:1]
Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1ccccc1[*:1]
C[C@H](NS(=O)(=O)Cc1ccccc1)[C@@H](C)CO C[C@@H](CO)[*:1] C[C@H](NS(=O)(=O)Cc1ccccc1)[*:1]
COc1ccc(NC(=O)N[C@H](C)Cc2ccco2)c(OC)c1 c1coc(c1)C[*:1] COc1ccc(NC(=O)N[C@H](C)[*:1])c(c1)OC
COc1ccc(NC(=O)N[C@H](C)Cc2ccco2)c(OC)c1 c1coc(c1)[*:1] COc1ccc(NC(=O)N[C@H](C)C[*:1])c(c1)OC
Cc1cc(C(=O)N2CCCC2)ccc1N[C@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] Cc1cc(ccc1N[C@H]1CCN(C1=O)[*:1])C(=O)N1CCCC1
Cc1cc(C(=O)N2CCCC2)ccc1N[C@H]1CCN(CC(F)(F)F)C1=O O=C(N1CCCC1)[*:1] Cc1cc(ccc1N[C@H]1CCN(CC(F)(F)F)C1=O)[*:1]
Cc1cc(C(=O)N2CCCC2)ccc1N[C@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] Cc1cc(ccc1N[C@H]1CCN(C[*:1])C1=O)C(=O)N1CCCC1
CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3F)CC2=O)cc1 Fc1cc(Cl)ccc1[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)OCC(=O)N[*:1]
CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3F)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(COC(=O)[C@H]1CC(=O)N(C1)[*:1])Nc1ccc(Cl)cc1F
O=S(=O)(c1ccc(Sc2nnc(-c3cccs3)n2-c2ccccc2)nc1)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] c1ccc(cc1)-n1c(nnc1-c1cccs1)Sc1ccc(cn1)[*:1]
O=S(=O)(c1ccc(Sc2nnc(-c3cccs3)n2-c2ccccc2)nc1)N1CCCC1 c1csc(c1)[*:1] O=S(=O)(c1ccc(nc1)Sc1nnc(n1-c1ccccc1)[*:1])N1CCCC1
O=S(=O)(c1ccc(Sc2nnc(-c3cccs3)n2-c2ccccc2)nc1)N1CCCC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(nc1)Sc1nnc(-c2cccs2)n1[*:1])N1CCCC1
Cc1nn(-c2ccncn2)c(C)c1[C@@H](C)C(=O)[O-] O=C([O-])[*:1] Cc1nn(-c2ccncn2)c(C)c1[C@@H](C)[*:1]
Cc1nn(-c2ccncn2)c(C)c1[C@@H](C)C(=O)[O-] c1cc(ncn1)[*:1] Cc1nn(c(C)c1[C@@H](C)C(=O)[O-])[*:1]
COc1ccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)NC(=O)c1nn2c(N[C@@H](C[C@@H]2C(F)(F)F)[*:1])c1Cl
COc1ccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)NC(=O)c1nn2c(N[C@H](C[C@H]2[*:1])c2ccco2)c1Cl
COc1ccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1OC COc1ccc(cc1OC)[*:1] O=C(N[*:1])c1nn2c(N[C@H](C[C@@H]2C(F)(F)F)c2ccco2)c1Cl
Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(CCC#N)CC1CC1 N#CCC[*:1] Cn1cc(cc1C(=O)N(CC1CC1)[*:1])S(=O)(=O)N1CCCCC1
Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(CCC#N)CC1CC1 N#CC[*:1] Cn1cc(cc1C(=O)N(CC1CC1)C[*:1])S(=O)(=O)N1CCCCC1
Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(CCC#N)CC1CC1 C1CC1C[*:1] Cn1cc(cc1C(=O)N(CCC#N)[*:1])S(=O)(=O)N1CCCCC1
Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(CCC#N)CC1CC1 C1CC1[*:1] Cn1cc(cc1C(=O)N(CCC#N)C[*:1])S(=O)(=O)N1CCCCC1
O=C(C=C1CCCCC1)Nc1cc(Cl)ccc1C(=O)N1CCCC1 C(=C1CCCCC1)[*:1] O=C(c1ccc(Cl)cc1NC(=O)[*:1])N1CCCC1
O=C(C=C1CCCCC1)Nc1cc(Cl)ccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(C=C1CCCCC1)Nc1cc(Cl)ccc1[*:1]
CC(C)[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)[*:1]
CC(C)[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cccnc1 CC(C)[*:1] O[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H](c1cccnc1)[*:1]
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1csc(N(C)C)n1 Clc1cccc(c1)[*:1] CC(C)[C@@H](O[*:1])C(=O)NCc1csc(n1)N(C)C
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1csc(N(C)C)n1 Clc1cccc(c1)O[*:1] CC(C)[C@@H](C(=O)NCc1csc(n1)N(C)C)[*:1]
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1csc(N(C)C)n1 CN(C)c1nc(cs1)[*:1] CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NC[*:1]
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1csc(N(C)C)n1 CC(C)[*:1] CN(C)c1nc(cs1)CNC(=O)[C@H](Oc1cccc(Cl)c1)[*:1]
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1csc(N(C)C)n1 CN(C)[*:1] CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1csc(n1)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)c2c(C)cc(C)cc2C)C1 CCC[*:1] Cc1cc(C)c(C(=O)N2CCC[C@H](C2)NC(=O)[*:1])c(C)c1
CCCC(=O)N[C@@H]1CCCN(C(=O)c2c(C)cc(C)cc2C)C1 CCCC(=O)N[*:1] Cc1cc(C)c(C(=O)N2CCC[C@H](C2)[*:1])c(C)c1
CCOCCOCc1cccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 CCOCCOC[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Nc1cccc(c1)[*:1]
CCOCCOCc1cccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 CCOC[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Nc1cccc(c1)COC[*:1]
CCOCCOCc1cccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 CCO[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Nc1cccc(c1)COCC[*:1]
CCOCCOCc1cccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 CCOCC[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Nc1cccc(c1)CO[*:1]
CCOCCOCc1cccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 CCOCCO[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Nc1cccc(c1)C[*:1]
COC(=O)CNC(=O)[C@H]1COc2ccccc2O1 COC(=O)[*:1] O=C(NC[*:1])[C@H]1COc2ccccc2O1
COC(=O)CNC(=O)[C@H]1COc2ccccc2O1 COC(=O)C[*:1] O=C(N[*:1])[C@H]1COc2ccccc2O1
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(OC[C@H]2CCCO2)cc1 Clc1ccc(Cl)c(c1)[*:1] O=C(N[*:1])c1ccc(cc1)OC[C@H]1CCCO1
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(OC[C@H]2CCCO2)cc1 C1CO[C@H](C1)CO[*:1] O=C(Nc1cc(Cl)ccc1Cl)c1ccc(cc1)[*:1]
CC[NH+](CC)C(C)(C)[C@@H](NC)c1ccccc1C(F)(F)F FC(F)(F)[*:1] CC[NH+](CC)C(C)(C)[C@@H](NC)c1ccccc1[*:1]
CCOC[C@H]1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)C1 c1csc(c1)[*:1] CCOC[C@H]1CCN(C1)C(=O)c1cc(nc2ccccc12)[*:1]
CCOC[C@H]1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)C1 CCOC[*:1] O=C(c1cc(nc2ccccc12)-c1cccs1)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)C1 CCO[*:1] O=C(c1cc(nc2ccccc12)-c1cccs1)N1CC[C@@H](C1)C[*:1]
CC[NH2+][C@@H](c1cscc1Br)C1([NH+]2CCCC2)CCCC1 Brc1cscc1[*:1] CC[NH2+][C@@H](C1(CCCC1)[NH+]1CCCC1)[*:1]
Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1c(F)cccc1Cl
COc1cccc(C(=O)N[C@H](c2ccccn2)C(C)C)n1 c1ccc(nc1)[*:1] COc1cccc(n1)C(=O)N[C@H](C(C)C)[*:1]
COc1cccc(C(=O)N[C@H](c2ccccn2)C(C)C)n1 CC(C)[*:1] COc1cccc(n1)C(=O)N[C@H](c1ccccn1)[*:1]
C[C@@H](NCc1ncc(-c2ccccc2)s1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NCc1ncc(s1)-c1ccccc1)[*:1]
C[C@@H](NCc1ncc(-c2ccccc2)s1)c1ccncc1 c1ccc(cc1)[*:1] C[C@@H](NCc1ncc(s1)[*:1])c1ccncc1
CN(Cc1ccc(N(C)C)[nH+]c1)Cc1nc(-c2ccccn2)no1 c1ccc(nc1)[*:1] CN(Cc1ccc([nH+]c1)N(C)C)Cc1nc(no1)[*:1]
CN(Cc1ccc(N(C)C)[nH+]c1)Cc1nc(-c2ccccn2)no1 CN(C)[*:1] CN(Cc1ccc([nH+]c1)[*:1])Cc1nc(no1)-c1ccccn1
CCOc1ccc(N2/C(=N/C(=O)c3cccc(OC)c3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 COc1cccc(c1)[*:1] CCOc1ccc(cc1)N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CCOc1ccc(N2/C(=N/C(=O)c3cccc(OC)c3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 CCOc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CCOc1ccc(N2/C(=N/C(=O)c3cccc(OC)c3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 CCO[*:1] COc1cccc(c1)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(cc1)[*:1]
CCc1c(C)nc(Nc2ccc(C(C)=O)cc2)nc1OCC(=O)[O-] O=C([O-])C[*:1] CCc1c(C)nc(nc1O[*:1])Nc1ccc(cc1)C(C)=O
CCc1c(C)nc(Nc2ccc(C(C)=O)cc2)nc1OCC(=O)[O-] O=C([O-])[*:1] CCc1c(C)nc(nc1OC[*:1])Nc1ccc(cc1)C(C)=O
CCc1c(C)nc(Nc2ccc(C(C)=O)cc2)nc1OCC(=O)[O-] CC(=O)[*:1] CCc1c(C)nc(nc1OCC(=O)[O-])Nc1ccc(cc1)[*:1]
c1ccc(COc2cncc(N3CCC(n4cc[nH+]c4)CC3)n2)cc1 c1ccc(cc1)[*:1] c1cn(c[nH+]1)C1CCN(CC1)c1cncc(n1)OC[*:1]
c1ccc(COc2cncc(N3CCC(n4cc[nH+]c4)CC3)n2)cc1 c1ccc(cc1)CO[*:1] c1cn(c[nH+]1)C1CCN(CC1)c1cncc(n1)[*:1]
c1ccc(COc2cncc(N3CCC(n4cc[nH+]c4)CC3)n2)cc1 c1ccc(cc1)C[*:1] c1cn(c[nH+]1)C1CCN(CC1)c1cncc(n1)O[*:1]
CN1C(=O)c2cnc3c(c(-c4ccncc4)nn3-c3ccc(Cl)cc3F)c2C1=O c1cc(ccn1)[*:1] CN1C(=O)c2cnc3c(c(nn3-c3ccc(Cl)cc3F)[*:1])c2C1=O
CN1C(=O)c2cnc3c(c(-c4ccncc4)nn3-c3ccc(Cl)cc3F)c2C1=O Fc1cc(Cl)ccc1[*:1] CN1C(=O)c2cnc3c(c(nn3[*:1])-c3ccncc3)c2C1=O
O=S(=O)(c1ccc2c(c1)OCCO2)N1CC=C(c2c[nH]c3ccccc23)CC1 c1ccc2c(c[nH]c2c1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CC=C(CC1)[*:1]
Cc1noc(C)c1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 Cc1noc(C)c1[*:1] O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)[*:1]
Cc1noc(C)c1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 Clc1ccccc1[*:1] Cc1noc(C)c1C(=O)NC[C@@H](c1c[nH]c2ccccc12)[*:1]
Cc1noc(C)c1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cc1noc(C)c1C(=O)NC[C@@H](c1ccccc1Cl)[*:1]
O=C1CN2CCO[C@]2(c2ccccc2F)c2cc(Br)ccc2N1 Fc1ccccc1[*:1] O=C1CN2CCO[C@@]2(c2cc(Br)ccc2N1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cccc(Cl)c2)cc1 CC(=O)N[*:1] O=S(=O)(N/N=C/c1cccc(Cl)c1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NN=C[*:1]
C[C@H](CC(N)=O)[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 Clc1ccc(cc1)[*:1] C[C@H](CC(N)=O)[NH2+][C@H]([C@@H]1CN(C)CCO1)[*:1]
C[C@H](CC(N)=O)[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 NC(=O)[*:1] C[C@H](C[*:1])[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1
C[C@H](CC(N)=O)[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 NC(=O)C[*:1] C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)[*:1]
CCC(CC)NC(=O)C(=O)Nc1ccc(Br)nc1C CCC(CC)[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)N[*:1]
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] Cc1cc2nn(nc2cc1NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1])-c1ccc(Cl)cc1
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] Cc1cc2nn(nc2cc1NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)[*:1]
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc2nn(nc2cc1NC(=O)c1ccc(c(c1)[*:1])N1CCCC1)-c1ccc(Cl)cc1
Cc1cc(Br)cnc1Sc1nc(CC(=O)[O-])cs1 O=C([O-])C[*:1] Cc1cc(Br)cnc1Sc1nc(cs1)[*:1]
Cc1cc(Br)cnc1Sc1nc(CC(=O)[O-])cs1 O=C([O-])[*:1] Cc1cc(Br)cnc1Sc1nc(cs1)C[*:1]
CC(C)(C)c1csc(CNC(=O)c2ccc(Cl)nc2)n1 CC(C)(C)[*:1] O=C(NCc1nc(cs1)[*:1])c1ccc(Cl)nc1
CCn1nc(C)c([N+](=O)[O-])c1NCc1c(C)noc1C O=[N+]([O-])[*:1] CCn1nc(C)c(c1NCc1c(C)noc1C)[*:1]
CC(C)(C)[NH2+]CCCCc1ccc(O)cc1 CC(C)(C)[*:1] Oc1ccc(cc1)CCCC[NH2+][*:1]
C[NH+](C)Cc1cccc(NC(=O)NC2(CO)CCCC2)c1 OCC1(CCCC1)[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)N[*:1]
CCN(Cc1cccc(Nc2nccn(CC)c2=O)c1)C(C)=O CCN(C[*:1])C(C)=O CCn1ccnc(Nc2cccc(c2)[*:1])c1=O
CCN(Cc1cccc(Nc2nccn(CC)c2=O)c1)C(C)=O CCN(C(C)=O)[*:1] CCn1ccnc(Nc2cccc(c2)C[*:1])c1=O
O=C(CC1CC[NH+](Cc2cc(=O)c([O-])co2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=c1cc(C[NH+]2CCC(CC2)C[*:1])occ1[O-]
O=Cc1ccc(OCCC(=O)Nc2cccnc2-n2cccn2)cc1 O=Cc1ccc(cc1)[*:1] O=C(CCO[*:1])Nc1cccnc1-n1cccn1
O=Cc1ccc(OCCC(=O)Nc2cccnc2-n2cccn2)cc1 c1cnn(c1)[*:1] O=Cc1ccc(cc1)OCCC(=O)Nc1cccnc1[*:1]
COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)n2)cc1OC Fc1ccc(cc1)C[*:1] COc1ccc(cc1OC)-c1ccc(=O)n(CC(=O)N[*:1])n1
COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)n2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1ccc(=O)n(CC(=O)NC[*:1])n1
CC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O Fc1ccc(cc1)[*:1] CC(=O)c1cc2ccc(cc2oc1=O)OC[*:1]
CC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O CC(=O)[*:1] O=c1oc2cc(ccc2cc1[*:1])OCc1ccc(F)cc1
Cc1ccc2sc(C(=O)CCl)c(C)c2c1 O=C(CCl)[*:1] Cc1ccc2sc(c(C)c2c1)[*:1]
O=C(Cc1cccc2ccccc12)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] O=C(Cc1cccc2ccccc12)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(Cc1cccc2ccccc12)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)C[*:1] O=C(Cc1cccc2ccccc12)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ocnc1CNC(=O)Nc1ccc([S@@](C)=O)c(F)c1 Cc1ocnc1C[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)N[*:1]
Cc1ocnc1CNC(=O)Nc1ccc([S@@](C)=O)c(F)c1 Cc1ocnc1[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)NC[*:1]
COCCCN(C(=O)N[C@H](C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 CC(C)(C)[*:1] COCCCN(C(=O)N[C@H](C)[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)N[C@H](C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] COCCCN(C(=O)N[C@H](C)C(C)(C)C)[*:1]
COCCCN(C(=O)N[C@H](C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 C[C@H](C(C)(C)C)[*:1] COCCCN(C(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)N[C@H](C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] C[C@@H](NC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1)C(C)(C)C
COCCCN(C(=O)N[C@H](C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 COCCC[*:1] C[C@@H](NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1])C(C)(C)C
COCCCN(C(=O)N[C@H](C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 COC[*:1] C[C@@H](NC(=O)N(CC[*:1])[C@@H]1CCS(=O)(=O)C1)C(C)(C)C
COc1cccc([C@H](C#N)NC(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] COc1cccc(c1)[C@H](C#N)NC(=O)O[*:1]
Cc1cccc(C)c1NC(=O)NCc1nc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)NCc1nc(n[nH]1)[*:1]
Cc1cccc(C)c1NC(=O)NCc1nc(-c2ccccc2)n[nH]1 Cc1cccc(C)c1[*:1] O=C(NCc1nc(n[nH]1)-c1ccccc1)N[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)c(C)c1 Cc1noc(C[*:1])n1 Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)c(C)c1 Cc1noc(n1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1noc(CNC(=O)C2CCN(CC2)S(=O)(=O)[*:1])n1
Cn1c(=O)c2sccc2n2c(C[NH+](C)CCCc3ccccc3)nnc12 c1ccc(cc1)CC[*:1] Cn1c(=O)c2sccc2n2c(C[NH+](C)C[*:1])nnc12
Cn1c(=O)c2sccc2n2c(C[NH+](C)CCCc3ccccc3)nnc12 c1ccc(cc1)C[*:1] Cn1c(=O)c2sccc2n2c(C[NH+](C)CC[*:1])nnc12
Cn1c(=O)c2sccc2n2c(C[NH+](C)CCCc3ccccc3)nnc12 c1ccc(cc1)[*:1] Cn1c(=O)c2sccc2n2c(C[NH+](C)CCC[*:1])nnc12
O=C1[NH+]=c2ccc(Br)cc2=C1/C=C1\Nc2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1[NH+]=c2ccc(Br)cc2=C1/C=C1\Nc2ccccc2C(=O)N1[*:1]
O=C1[NH+]=c2ccc(Br)cc2=C1/C=C1\Nc2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C1[NH+]=c2ccc(Br)cc2=C1/C=C1\Nc2ccccc2C(=O)N1c1ccc(cc1)[*:1]
O=C1N=C(SCC(=O)N2CCCCC2)N=C2[C@H]1SC(=S)N2c1ccc(Cl)cc1 O=C(N1CCCCC1)[*:1] O=C1N=C(N=C2[C@H]1SC(=S)N2c1ccc(Cl)cc1)SC[*:1]
O=C1N=C(SCC(=O)N2CCCCC2)N=C2[C@H]1SC(=S)N2c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1N=C(N=C2[C@H]1SC(=S)N2[*:1])SCC(=O)N1CCCCC1
O=C1N=C(SCC(=O)N2CCCCC2)N=C2[C@H]1SC(=S)N2c1ccc(Cl)cc1 O=C(C[*:1])N1CCCCC1 O=C1N=C(N=C2[C@H]1SC(=S)N2c1ccc(Cl)cc1)S[*:1]
C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] C=CCNC(=O)NC(=O)CN1CC[NH+](CC1)Cc1cccc(c1)[*:1]
C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 C=CC[*:1] O=C(CN1CC[NH+](CC1)Cc1cccc(c1)C(F)(F)F)NC(=O)N[*:1]
C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 C=CCNC(=O)NC(=O)[*:1] FC(F)(F)c1cccc(c1)C[NH+]1CCN(CC1)C[*:1]
Cc1csc([C@H](NC(=O)N(CCO)Cc2ccccc2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](NC(=O)N(CCO)Cc1ccccc1)[*:1]
Cc1csc([C@H](NC(=O)N(CCO)Cc2ccccc2)C2CC2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)[C@H](NC(=O)N(CCO)[*:1])C1CC1
Cc1csc([C@H](NC(=O)N(CCO)Cc2ccccc2)C2CC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@H](NC(=O)N(CCO)C[*:1])C1CC1
Cc1csc([C@H](NC(=O)N(CCO)Cc2ccccc2)C2CC2)n1 Cc1csc(n1)[*:1] O=C(N[C@H](C1CC1)[*:1])N(CCO)Cc1ccccc1
Cc1csc([C@H](NC(=O)N(CCO)Cc2ccccc2)C2CC2)n1 OCC[*:1] Cc1csc(n1)[C@H](NC(=O)N(Cc1ccccc1)[*:1])C1CC1
Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C Cc1ccc(cc1C)N[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)NC(=O)[C@H](C)[*:1]
Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)NC(=O)[C@H](C)N[*:1]
Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1C)N[C@@H](C)C(=O)Nc1ccc(C)c(c1)[*:1]
CCN(CC)C(=O)C1(NC(=O)[C@@H](C)c2ccsc2)CCCCC1 CCN(CC)C(=O)[*:1] C[C@H](C(=O)NC1(CCCCC1)[*:1])c1ccsc1
CCN(CC)C(=O)C1(NC(=O)[C@@H](C)c2ccsc2)CCCCC1 c1cc(cs1)[*:1] CCN(CC)C(=O)C1(CCCCC1)NC(=O)[C@@H](C)[*:1]
C[C@@H]1CN(c2ccc(CNC(=O)NCCc3cccc(F)c3)c[nH+]2)C[C@@H](C)O1 Fc1cccc(c1)CC[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
C[C@@H]1CN(c2ccc(CNC(=O)NCCc3cccc(F)c3)c[nH+]2)C[C@@H](C)O1 Fc1cccc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)NCC[*:1]
C[C@@H]1CN(c2ccc(CNC(=O)NCCc3cccc(F)c3)c[nH+]2)C[C@@H](C)O1 Fc1cccc(c1)C[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)NC[*:1]
COc1nc(N2CCCCCC2)nc(N2CCC[C@@H](NC(C)=O)C2)n1 C1CCCN(CC1)[*:1] COc1nc(nc(n1)[*:1])N1CCC[C@H](C1)NC(C)=O
COc1nc(N2CCCCCC2)nc(N2CCC[C@@H](NC(C)=O)C2)n1 CC(=O)N[*:1] COc1nc(nc(n1)N1CCC[C@@H](C1)[*:1])N1CCCCCC1
O=C(Nc1ccc(OC(F)F)cc1)c1cccc(CN2CCCC2=O)c1 FC(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)CN1CCCC1=O
O=C(Nc1ccc(OC(F)F)cc1)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] O=C(Nc1ccc(cc1)OC(F)F)c1cccc(c1)[*:1]
O=C(Nc1ccc(OC(F)F)cc1)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)OC(F)F)c1cccc(c1)C[*:1]
O=C(Nc1ccc(OC(F)F)cc1)c1cccc(CN2CCCC2=O)c1 FC(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cccc(c1)CN1CCCC1=O
CC[NH2+]Cc1cccn1Cc1ccc(C(=O)OC)cn1 COC(=O)[*:1] CC[NH2+]Cc1cccn1Cc1ccc(cn1)[*:1]
COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 COc1ccc(Br)cc1[*:1] O=C(Nc1ccccc1)Nc1cccc(c1)NS(=O)(=O)[*:1]
COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(c1)NC(=O)N[*:1]
O=C(Nc1ccc(-c2nccs2)cc1)N[C@@H]1CCCC[C@@H]1CO c1csc(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CCCC[C@@H]1CO
CCOC(=O)N[C@@H]1c2ccccc2Oc2ccc(OC)cc21 CCOC(=O)N[*:1] COc1ccc2Oc3ccccc3[C@H](c2c1)[*:1]
CC[C@H](NC(=O)c1ccc(-n2cccc2)nc1)c1cccs1 c1ccn(c1)[*:1] CC[C@H](NC(=O)c1ccc(nc1)[*:1])c1cccs1
CC[C@H](NC(=O)c1ccc(-n2cccc2)nc1)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)c1ccc(nc1)-n1cccc1)[*:1]
COc1cccc(-c2noc(CN(C)[C@@H](C)Cc3ccsc3)n2)c1 c1cc(cs1)C[*:1] COc1cccc(c1)-c1noc(CN(C)[C@@H](C)[*:1])n1
COc1cccc(-c2noc(CN(C)[C@@H](C)Cc3ccsc3)n2)c1 COc1cccc(c1)[*:1] C[C@@H](Cc1ccsc1)N(C)Cc1nc(no1)[*:1]
COc1cccc(-c2noc(CN(C)[C@@H](C)Cc3ccsc3)n2)c1 c1cc(cs1)[*:1] COc1cccc(c1)-c1noc(CN(C)[C@@H](C)C[*:1])n1
COc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OCc1cccnc1 c1cncc(c1)C[*:1] COc1cc(cc(Br)c1O[*:1])C[NH2+]C1CCCCCC1
COc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OCc1cccnc1 c1cncc(c1)CO[*:1] COc1cc(cc(Br)c1[*:1])C[NH2+]C1CCCCCC1
COc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OCc1cccnc1 c1cncc(c1)[*:1] COc1cc(cc(Br)c1OC[*:1])C[NH2+]C1CCCCCC1
Cc1ccncc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 c1csc(c1)[*:1] Cc1ccncc1NC(=O)N1CCC[C@@H]1C[C@@H](O)[*:1]
Cc1ccncc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 Cc1ccncc1[*:1] O=C(N[*:1])N1CCC[C@@H]1C[C@@H](O)c1cccs1
Cc1ccncc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 O[C@@H](c1cccs1)[*:1] Cc1ccncc1NC(=O)N1CCC[C@@H]1C[*:1]
CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCCCC3)C2)c1 CC(C)[*:1] O=C(NC1CCCCCCC1)[C@H]1CCCN(C1)S(=O)(=O)c1cn(cn1)[*:1]
CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCCCC3)C2)c1 CC(C)n1cnc(c1)[*:1] O=C(NC1CCCCCCC1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCCCC3)C2)c1 C1CCCC(CCC1)[*:1] CC(C)n1cnc(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
C[C@@H](C(=O)Nc1ccc(-c2csnn2)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)-c1csnn1)[*:1]
C[C@@H](C(=O)Nc1ccc(-c2csnn2)cc1)c1ccsc1 C[C@@H](c1ccsc1)[*:1] O=C(Nc1ccc(cc1)-c1csnn1)[*:1]
C[C@@H](C(=O)Nc1ccc(-c2csnn2)cc1)c1ccsc1 c1snnc1[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])c1ccsc1
C[C@@H](CNC(=O)N(C)Cc1ccccc1Br)C[NH+]1CCCC1 Brc1ccccc1[*:1] C[C@@H](CNC(=O)N(C)C[*:1])C[NH+]1CCCC1
C[C@H](O/N=C(/N)c1cccs1)C(=O)N1CCN(c2ccccc2)CC1 c1csc(c1)[*:1] C[C@H](O/N=C(/N)[*:1])C(=O)N1CCN(CC1)c1ccccc1
C[C@H](O/N=C(/N)c1cccs1)C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](O/N=C(/N)c1cccs1)C(=O)N1CCN(CC1)[*:1]
CNC(=O)c1[nH]nc(C(C)C)c1Br CC(C)[*:1] CNC(=O)c1[nH]nc(c1Br)[*:1]
CNC(=O)c1[nH]nc(C(C)C)c1Br CNC(=O)[*:1] CC(C)c1n[nH]c(c1Br)[*:1]
N#Cc1ccccc1OCC(=O)NNC(=S)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] N#Cc1ccccc1OCC(=O)NNC(=S)N[*:1]
N#Cc1ccccc1OCC(=O)NNC(=S)Nc1ccc(F)cc1F N#Cc1ccccc1[*:1] O=C(CO[*:1])NNC(=S)Nc1ccc(F)cc1F
O=C(Nc1ccc2ncccc2c1)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] O=C(Nc1ccc2ncccc2c1)N[*:1]
Cc1nc(N2CCCC2)cc([C@@H]2CCCN(C(=O)CC(C)C)C2)[nH+]1 CC(C)[*:1] Cc1nc(cc([nH+]1)[C@@H]1CCCN(C1)C(=O)C[*:1])N1CCCC1
Cc1nc(N2CCCC2)cc([C@@H]2CCCN(C(=O)CC(C)C)C2)[nH+]1 CC(C)C[*:1] Cc1nc(cc([nH+]1)[C@@H]1CCCN(C1)C(=O)[*:1])N1CCCC1
Cc1nc(N2CCCC2)cc([C@@H]2CCCN(C(=O)CC(C)C)C2)[nH+]1 C1CCN(C1)[*:1] Cc1nc(cc([nH+]1)[C@@H]1CCCN(C1)C(=O)CC(C)C)[*:1]
CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2F)s1 CCC(=O)N[*:1] Cc1noc(/C=C/c2ccc(s2)S(=O)(=O)[N-]c2ccccc2F)c1[*:1]
CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2F)s1 Fc1ccccc1[*:1] CCC(=O)Nc1c(C)noc1/C=C/c1ccc(s1)S(=O)(=O)[N-][*:1]
Cc1cc(C(=O)N2CCN([C@H](C)c3cccnc3)CC2)c(C)o1 c1cncc(c1)[*:1] Cc1cc(C(=O)N2CCN(CC2)[C@H](C)[*:1])c(C)o1
Cc1cc(C(=O)N2CCN([C@H](C)c3cccnc3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](c1cccnc1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(Br)cc(N)c1OCCOCC(F)(F)F FC(F)(F)C[*:1] Cc1cc(Br)cc(N)c1OCCO[*:1]
Cc1cc(Br)cc(N)c1OCCOCC(F)(F)F FC(F)(F)[*:1] Cc1cc(Br)cc(N)c1OCCOC[*:1]
Cc1cc(Br)cc(N)c1OCCOCC(F)(F)F FC(F)(F)CO[*:1] Cc1cc(Br)cc(N)c1OCC[*:1]
O=C(NCc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 Clc1ccc(cc1Cl)[*:1] O=C(NCc1ccc2OCCOc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 c1cc2OCCOc2cc1[*:1] O=C(NC[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
COc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)n(C)c2C)c1 COc1cccc(c1)[*:1] Cc1nc(sc1C(=O)N1CCCC1)-c1cc(c(C)n1C)S(=O)(=O)[N-][*:1]
COc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)n(C)c2C)c1 O=C(N1CCCC1)[*:1] COc1cccc(c1)[N-]S(=O)(=O)c1cc(-c2nc(C)c(s2)[*:1])n(C)c1C
CC(=O)N[C@H](C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)C1CCCC1 CC(=O)N[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[C@H](C1CCCC1)[*:1]
CC(=O)N[C@H](C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)C1CCCC1 c1cnc(nc1)[*:1] CC(=O)N[C@H](C(=O)NC[C@@H]1CCCN(C1)[*:1])C1CCCC1
CC(=O)N[C@H](C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@H](C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1nc(CNc2nc(-c3ccccn3)nc3c2CC[NH+](C)CC3)n[nH]1 Cc1nc(CN[*:1])n[nH]1 C[NH+]1CCc2nc(nc(c2CC1)[*:1])-c1ccccn1
Cc1nc(CNc2nc(-c3ccccn3)nc3c2CC[NH+](C)CC3)n[nH]1 Cc1nc(C[*:1])n[nH]1 C[NH+]1CCc2nc(nc(N[*:1])c2CC1)-c1ccccn1
Cc1nc(CNc2nc(-c3ccccn3)nc3c2CC[NH+](C)CC3)n[nH]1 c1ccc(nc1)[*:1] Cc1nc(CNc2nc(nc3CC[NH+](C)CCc32)[*:1])n[nH]1
Cc1nc(CNc2nc(-c3ccccn3)nc3c2CC[NH+](C)CC3)n[nH]1 Cc1nc(n[nH]1)[*:1] C[NH+]1CCc2nc(nc(NC[*:1])c2CC1)-c1ccccn1
O=S(=O)(NCCc1ccccc1)c1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] O=S(=O)(NCC[*:1])c1ccc(Cl)c(Cl)c1
COc1ccccc1C[NH+]1CCC(NC(=O)CCc2ccc3ccccc3c2)CC1 COc1ccccc1C[*:1] O=C(CCc1ccc2ccccc2c1)NC1CC[NH+](CC1)[*:1]
COc1ccccc1C[NH+]1CCC(NC(=O)CCc2ccc3ccccc3c2)CC1 c1ccc2cc(ccc2c1)[*:1] COc1ccccc1C[NH+]1CCC(CC1)NC(=O)CC[*:1]
COc1ccccc1C[NH+]1CCC(NC(=O)CCc2ccc3ccccc3c2)CC1 COc1ccccc1[*:1] O=C(CCc1ccc2ccccc2c1)NC1CC[NH+](CC1)C[*:1]
CCOc1ccc2ccccc2c1-c1nc2c(cnn2CC)[nH]1 CCO[*:1] CCn1ncc2[nH]c(nc21)-c1c(ccc2ccccc12)[*:1]
C=CCS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] NC(=O)[*:1] C=CCS(=O)(=O)N[C@H](C[*:1])C(=O)[O-]
C=CCS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] NC(=O)C[*:1] C=CCS(=O)(=O)N[C@H](C(=O)[O-])[*:1]
C=CCS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] C=CC[*:1] NC(=O)C[C@@H](NS(=O)(=O)[*:1])C(=O)[O-]
C=CCS(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-] O=C([O-])[*:1] C=CCS(=O)(=O)N[C@H](CC(N)=O)[*:1]
CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n(C(C)(C)C)n1 c1ccc(nc1)[*:1] CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)N(C2)C[*:1])n(n1)C(C)(C)C
CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n(C(C)(C)C)n1 CC(C)(C)[*:1] CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n(n1)[*:1]
CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n(C(C)(C)C)n1 c1ccc(C[*:1])nc1 CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])n(n1)C(C)(C)C
CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n(C(C)(C)C)n1 CC(C)(C)[*:1] CC(C)(C)n1nc(cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[*:1]
CN(C)[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1F CN(C)[*:1] O=C([C@H](c1ccccc1F)[*:1])N1CCC(CC1)c1[nH]cc[nH+]1
CN(C)[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1F Fc1ccccc1[*:1] CN(C)[C@H](C(=O)N1CCC(CC1)c1[nH]cc[nH+]1)[*:1]
CCc1cc(CNC(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)on1 CCc1cc(on1)[*:1] C[C@H]1CN(Cc2ccc(cc2)C(=O)NC[*:1])C[C@@H](C)O1
CCc1cc(CNC(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)on1 CCc1cc(C[*:1])on1 C[C@H]1CN(Cc2ccc(cc2)C(=O)N[*:1])C[C@@H](C)O1
COc1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(ccc1[*:1])C(=O)N1C[C@H](C)CC[C@@H]1C
COc1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(ccc1O[*:1])C(=O)N1C[C@H](C)CC[C@@H]1C
COc1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OC[*:1])C(=O)N1C[C@H](C)CC[C@@H]1C
Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)[*:1])cc1
Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(NN=C[*:1])C(O)(c1ccccc1)c1ccccc1
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NCCc1cccs1 c1csc(c1)[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NCC[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NCCc1cccs1 c1csc(c1)C[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NC[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NCCc1cccs1 c1csc(c1)CC[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NCCc1cccs1 O=C(N1CCCC1)[*:1] Cc1cccc(c1NC(=O)C(=O)NCCc1cccs1)[*:1]
CS(=O)(=O)c1cccc(C(=O)N(CC#N)C2CC2)c1 C1CC1[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N(CC#N)[*:1]
CS(=O)(=O)c1cccc(C(=O)N(CC#N)C2CC2)c1 N#CC[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N(C1CC1)[*:1]
CS(=O)(=O)c1cccc(C(=O)N(CC#N)C2CC2)c1 CS(=O)(=O)[*:1] N#CCN(C(=O)c1cccc(c1)[*:1])C1CC1
Cc1cc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)on1 c1ccc(cc1)[*:1] Cc1cc(on1)C(=O)Nc1c2CCCc2nn1[*:1]
Cc1cc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)on1 Cc1cc(on1)[*:1] O=C(Nc1c2CCCc2nn1-c1ccccc1)[*:1]
CC(C)CCC(=O)NNC(=O)Cn1cnc2ccccc2c1=O CC(C)C[*:1] O=C(Cn1cnc2ccccc2c1=O)NNC(=O)C[*:1]
CC(C)CCC(=O)NNC(=O)Cn1cnc2ccccc2c1=O CC(C)CC[*:1] O=C(Cn1cnc2ccccc2c1=O)NNC(=O)[*:1]
CC(C)CCC(=O)NNC(=O)Cn1cnc2ccccc2c1=O CC(C)[*:1] O=C(CC[*:1])NNC(=O)Cn1cnc2ccccc2c1=O
Cc1cc(C)n2c(SCC(=O)NNC(=O)c3ccc(F)cc3)nnc2n1 Fc1ccc(cc1)[*:1] Cc1cc(C)n2c(nnc2n1)SCC(=O)NNC(=O)[*:1]
CC[C@H](C#N)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CC[C@H](C#N)NC(=O)c1c(C)cc(C)c(c1C)[*:1]
CC[C@H](C#N)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C CC[C@H](C#N)[*:1] Cc1cc(C)c(c(C)c1C(=O)N[*:1])[N+](=O)[O-]
Cc1ccc(NC(=O)[C@H](C)Sc2ncnc3sc(C)cc23)c(F)c1 Cc1ccc(c(F)c1)[*:1] Cc1cc2c(ncnc2s1)S[C@@H](C)C(=O)N[*:1]
COC(=O)C(C(=O)OC)=C(F)SCC(C)=O CC(=O)CS[*:1] COC(=O)C(C(=O)OC)=C(F)[*:1]
COC(=O)C(C(=O)OC)=C(F)SCC(C)=O COC(=O)[*:1] COC(=O)C(=C(F)SCC(C)=O)[*:1]
COC(=O)C(C(=O)OC)=C(F)SCC(C)=O CC(=O)C[*:1] COC(=O)C(C(=O)OC)=C(F)S[*:1]
COC(=O)C(C(=O)OC)=C(F)SCC(C)=O CC(=O)[*:1] COC(=O)C(C(=O)OC)=C(F)SC[*:1]
CC(C)(C)c1ccc(NC(=O)NCC2CCN(C(=O)c3ccno3)CC2)cc1 CC(C)(C)[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccno1)Nc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(NC(=O)NCC2CCN(C(=O)c3ccno3)CC2)cc1 c1cc(on1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)NCC1CCN(CC1)C(=O)[*:1]
Cc1cccc(CC(=O)N[C@H]2CCCCC[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] Cc1cccc(c1)CC(=O)N[C@H]1CCCCC[C@H]1[*:1]
Cc1cccc(CC(=O)N[C@H]2CCCCC[C@@H]2C(=O)[O-])c1 Cc1cccc(c1)[*:1] O=C(C[*:1])N[C@H]1CCCCC[C@@H]1C(=O)[O-]
C[NH2+][C@@H](C)c1cccc(NC(=O)N[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] C[NH2+][C@@H](C)c1cccc(c1)NC(=O)N[*:1]
O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CCN(c2ccccc2)C1=O C1CCC(C1)[*:1] O=C(CS(=O)(=O)[*:1])N[C@@H]1CCN(C1=O)c1ccccc1
O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CCN(C1=O)[*:1]
O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CCN(c2ccccc2)C1=O O=S(=O)(C1CCCC1)[*:1] O=C(C[*:1])N[C@@H]1CCN(C1=O)c1ccccc1
C[C@H](CC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](CC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)NC(=O)[*:1]
CC(=O)N1CCO[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 O=C(Nc1nccs1)[*:1] CC(=O)N1CCO[C@@H](C1)c1cc(c2ccccc2n1)[*:1]
CC(=O)N1CCO[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 c1csc(n1)[*:1] CC(=O)N1CCO[C@@H](C1)c1cc(C(=O)N[*:1])c2ccccc2n1
CC(C)CCC(=O)N1CCN(CC(=O)N2CCNC2=O)CC1 CC(C)C[*:1] O=C(C[*:1])N1CCN(CC1)CC(=O)N1CCNC1=O
CC(C)CCC(=O)N1CCN(CC(=O)N2CCNC2=O)CC1 CC(C)CC[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])N1CCNC1=O
CC(C)CCC(=O)N1CCN(CC(=O)N2CCNC2=O)CC1 CC(C)[*:1] O=C(CC[*:1])N1CCN(CC1)CC(=O)N1CCNC1=O
CCOc1ccccc1OCCOc1ccccc1C#N CCO[*:1] N#Cc1ccccc1OCCOc1ccccc1[*:1]
CC(C)[C@@H]([NH3+])C(=O)NCC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)[C@@H]([NH3+])C(=O)NCC(=O)O[*:1]
CC(C)[C@@H]([NH3+])C(=O)NCC(=O)OC(C)(C)C CC(C)[*:1] CC(C)(C)OC(=O)CNC(=O)[C@H]([NH3+])[*:1]
Cc1nccn1-c1cncc(N[C@H](C)c2ccc(OCC(C)C)cc2)n1 CC(C)CO[*:1] Cc1nccn1-c1cncc(n1)N[C@H](C)c1ccc(cc1)[*:1]
Cc1nccn1-c1cncc(N[C@H](C)c2ccc(OCC(C)C)cc2)n1 CC(C)C[*:1] Cc1nccn1-c1cncc(n1)N[C@H](C)c1ccc(cc1)O[*:1]
Cc1nccn1-c1cncc(N[C@H](C)c2ccc(OCC(C)C)cc2)n1 CC(C)[*:1] Cc1nccn1-c1cncc(n1)N[C@H](C)c1ccc(cc1)OC[*:1]
Cc1nccn1-c1cncc(N[C@H](C)c2ccc(OCC(C)C)cc2)n1 Cc1nccn1[*:1] CC(C)COc1ccc(cc1)[C@@H](C)Nc1cncc(n1)[*:1]
CC(=O)Nc1ccc(CCNC(=O)Nc2c(C)noc2C)cc1 CC(=O)N[*:1] Cc1noc(C)c1NC(=O)NCCc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(CCNC(=O)Nc2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CC(=O)Nc1ccc(cc1)CCNC(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 c1ccc(cc1)OC[*:1] Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(C[*:1])n1
Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 Cc1ccc(Cl)cc1[*:1] O=C(N[*:1])c1ccc(=O)n(CCOc2ccccc2)n1
Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 c1ccc(cc1)OCC[*:1] Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(n1)[*:1]
Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 c1ccc(cc1)O[*:1] Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(CC[*:1])n1
Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(CCO[*:1])n1
Cc1nnc(-c2cccc(C(=O)Nc3ccc4c(c3)COC4)c2)o1 Cc1nnc(o1)[*:1] O=C(Nc1ccc2COCc2c1)c1cccc(c1)[*:1]
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc([C@@H]4C=C(C)N=N4)o3)CC2)cc1 COc1ccc(cc1)[*:1] CC1=C[C@H](N=N1)c1ccc(o1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc([C@@H]4C=C(C)N=N4)o3)CC2)cc1 COc1ccc(cc1)C[*:1] CC1=C[C@H](N=N1)c1ccc(o1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(C#N)cc1Nc1cc(C)c(N)c(C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(C#N)cc1Nc1cc(C)c(N)c(c1)[*:1]
N#C/C(=C\c1cccc2ccccc12)C(=O)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] N#C/C(=C\c1cccc2ccccc12)C(=O)[*:1]
COC(=O)CNc1nc2cccc(Cl)c2s1 COC(=O)C[*:1] Clc1cccc2nc(N[*:1])sc12
COC(=O)CNc1nc2cccc(Cl)c2s1 COC(=O)[*:1] Clc1cccc2nc(NC[*:1])sc12
CCOc1ccc(F)c(C(=O)Nc2cnn(-c3ccccc3)c2)c1F CCO[*:1] O=C(Nc1cnn(c1)-c1ccccc1)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)Nc2cnn(-c3ccccc3)c2)c1F c1ccc(cc1)[*:1] CCOc1ccc(F)c(C(=O)Nc2cnn(c2)[*:1])c1F
CCOc1ccc(OCC(=O)N2C[C@H](O)[C@H](O)C2)cc1 CCO[*:1] O=C(COc1ccc(cc1)[*:1])N1C[C@H](O)[C@H](O)C1
C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(-n2cncn2)cc1 Fc1ccc(c(F)c1)[*:1] C[C@H](NC(=O)CCc1ncc(o1)[*:1])c1ccc(cc1)-n1cncn1
C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)CCc1ncc(o1)-c1ccc(F)cc1F)c1ccc(cc1)[*:1]
Cc1nc(SCC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)oc1C Cc1nc(oc1C)[*:1] CN(CC(=O)Nc1cccc(Cl)c1)C(=O)CS[*:1]
Cc1nc(SCC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)oc1C Clc1cccc(c1)[*:1] Cc1nc(oc1C)SCC(=O)N(C)CC(=O)N[*:1]
Cc1nc(SCC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)oc1C Cc1nc(oc1C)S[*:1] CN(CC(=O)Nc1cccc(Cl)c1)C(=O)C[*:1]
O=C([O-])/C=C\C(=O)Nc1cc(C(F)(F)F)ccc1Cl O=C([O-])C=C[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)[*:1]
O=C([O-])/C=C\C(=O)Nc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] O=C([O-])/C=C\C(=O)Nc1cc(ccc1Cl)[*:1]
O=C([O-])/C=C\C(=O)Nc1cc(C(F)(F)F)ccc1Cl O=C([O-])[*:1] O=C(C=C[*:1])Nc1cc(ccc1Cl)C(F)(F)F
Cc1cc(O)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(O)cc(c1)[*:1]
CC(C)c1cc([C@@H]2CCCN2C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)on1 FC(F)(F)[*:1] CC(C)c1cc(on1)[C@@H]1CCCN1C(=O)c1cnn2c(cc(nc12)-c1ccco1)[*:1]
CC(C)c1cc([C@@H]2CCCN2C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)on1 CC(C)[*:1] O=C(c1cnn2c(cc(nc12)-c1ccco1)C(F)(F)F)N1CCC[C@H]1c1cc(no1)[*:1]
CC(C)c1cc([C@@H]2CCCN2C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)on1 CC(C)c1cc(on1)[*:1] O=C(c1cnn2c(cc(nc12)-c1ccco1)C(F)(F)F)N1CCC[C@H]1[*:1]
CC(C)c1cc([C@@H]2CCCN2C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)on1 c1coc(c1)[*:1] CC(C)c1cc(on1)[C@@H]1CCCN1C(=O)c1cnn2c(cc(nc12)[*:1])C(F)(F)F
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC CCO[*:1] COc1ccccc1C(=O)N/N=C/c1ccc(OC)c(c1)[*:1]
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC COc1ccccc1[*:1] CCOc1cc(/C=N/NC(=O)[*:1])ccc1OC
CCc1nc2ccccc2n1C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 C1Cc2[nH]nc(c2C1)[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc2c(c1)CCC2)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(Nc1ccc2CCCc2c1)[C@H]1CC(=O)N(C1)[*:1]
O=[N+]([O-])c1ccc([C@@H](c2nnnn2-c2cccc(Cl)c2)N2CCOCC2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Clc1cccc(c1)-n1nnnc1[C@@H](N1CCOCC1)[*:1]
O=[N+]([O-])c1ccc([C@@H](c2nnnn2-c2cccc(Cl)c2)N2CCOCC2)cc1 O=[N+]([O-])[*:1] Clc1cccc(c1)-n1nnnc1[C@H](c1ccc(cc1)[*:1])N1CCOCC1
O=[N+]([O-])c1ccc([C@@H](c2nnnn2-c2cccc(Cl)c2)N2CCOCC2)cc1 Clc1cccc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)[C@@H](c1nnnn1[*:1])N1CCOCC1
O=[N+]([O-])c1ccc([C@@H](c2nnnn2-c2cccc(Cl)c2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccc(cc1)[C@@H](c1nnnn1-c1cccc(Cl)c1)[*:1]
CC(C)OCCOC(=O)C1(c2ccc(Cl)cc2)CC1 CC(C)O[*:1] O=C(OCC[*:1])C1(CC1)c1ccc(Cl)cc1
CC(C)OCCOC(=O)C1(c2ccc(Cl)cc2)CC1 CC(C)OC[*:1] O=C(OC[*:1])C1(CC1)c1ccc(Cl)cc1
CC(C)OCCOC(=O)C1(c2ccc(Cl)cc2)CC1 CC(C)[*:1] O=C(OCCO[*:1])C1(CC1)c1ccc(Cl)cc1
CC(C)OCCOC(=O)C1(c2ccc(Cl)cc2)CC1 CC(C)OCC[*:1] O=C(O[*:1])C1(CC1)c1ccc(Cl)cc1
Cc1ocnc1CNC(=O)NCC(C)(C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1ocnc1CNC(=O)NCC(C)(C)[*:1]
Cc1ocnc1CNC(=O)NCC(C)(C)c1cccc(Cl)c1 Cc1ocnc1[*:1] CC(C)(CNC(=O)NC[*:1])c1cccc(Cl)c1
Cc1ocnc1CNC(=O)NCC(C)(C)c1cccc(Cl)c1 Cc1ocnc1C[*:1] CC(C)(CNC(=O)N[*:1])c1cccc(Cl)c1
Cc1nc([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)S(C)(=O)=O)[*:1]
CCC[C@H]1C(=O)NC(=O)C[C@H]1c1cccc(OC)c1OC CCC[*:1] COc1cccc(c1OC)[C@@H]1CC(=O)NC(=O)[C@@H]1[*:1]
Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)cc3)cc21 c1ccc(cc1)[*:1] Cn1c(=O)c(=O)n(C)c2cc(O[*:1])c(cc21)NC(=O)c1ccc(cc1)C(F)(F)F
Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)cc3)cc21 c1ccc(cc1)O[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)NC(=O)c1ccc(cc1)C(F)(F)F)[*:1]
Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)cc3)cc21 FC(F)(F)c1ccc(cc1)[*:1] Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(cc21)NC(=O)[*:1]
Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)cc3)cc21 FC(F)(F)[*:1] Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(cc21)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(C)n1-c1c(C(=O)Nc2cccc(Cl)c2F)cnn1C Cc1ccc(C)n1[*:1] Cn1ncc(C(=O)Nc2cccc(Cl)c2F)c1[*:1]
Cc1ccc(C)n1-c1c(C(=O)Nc2cccc(Cl)c2F)cnn1C Fc1c(Cl)cccc1[*:1] Cc1ccc(C)n1-c1c(cnn1C)C(=O)N[*:1]
O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2nnc3ccnn3c2[O-])cc1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1nnc2ccnn2c1[O-]
O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2nnc3ccnn3c2[O-])cc1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)c1nnc2ccnn2c1[O-]
CCCc1ccc([C@@H](N)C(CC)(CC)[NH+]2CCCC2)cc1 CCC[*:1] CCC(CC)([C@H](N)c1ccc(cc1)[*:1])[NH+]1CCCC1
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1 CS(=O)(=O)[*:1] O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[*:1])C(Cl)Cl
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1 O=C(N[*:1])C(Cl)Cl CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)[*:1]
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1 ClC(Cl)[*:1] CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)[*:1]
Cc1ccccc1OCCCN1C(=O)C2(OCCO2)c2c(Cl)ccc(Cl)c21 Cc1ccccc1[*:1] O=C1N(CCCO[*:1])c2c(Cl)ccc(Cl)c2C12OCCO2
Cc1ccccc1OCCCN1C(=O)C2(OCCO2)c2c(Cl)ccc(Cl)c21 Cc1ccccc1OC[*:1] O=C1N(CC[*:1])c2c(Cl)ccc(Cl)c2C12OCCO2
Cc1ccccc1OCCCN1C(=O)C2(OCCO2)c2c(Cl)ccc(Cl)c21 Cc1ccccc1O[*:1] O=C1N(CCC[*:1])c2c(Cl)ccc(Cl)c2C12OCCO2
CCC[C@@H](C)[C@@](C#N)(CC)C(=O)[O-] CCC[*:1] CC[C@@](C#N)(C(=O)[O-])[C@H](C)[*:1]
CCC[C@@H](C)[C@@](C#N)(CC)C(=O)[O-] O=C([O-])[*:1] CCC[C@@H](C)[C@@](C#N)(CC)[*:1]
Cc1cccc(C[NH+]2CCC(NCc3cn(C)nc3-c3ccccc3)CC2)c1 Cc1cccc(c1)C[*:1] Cn1cc(CNC2CC[NH+](CC2)[*:1])c(n1)-c1ccccc1
Cc1cccc(C[NH+]2CCC(NCc3cn(C)nc3-c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C[NH+]1CCC(CC1)NCc1cn(C)nc1[*:1]
Cc1cccc(C[NH+]2CCC(NCc3cn(C)nc3-c3ccccc3)CC2)c1 Cc1cccc(c1)[*:1] Cn1cc(CNC2CC[NH+](CC2)C[*:1])c(n1)-c1ccccc1
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c(C)n1CCc1cccs1 c1cc2OCCOc2cc1[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])c(C)n1CCc1cccs1
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c(C)n1CCc1cccs1 c1csc(c1)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(C2=O)c2ccc3OCCOc3c2)c(C)n1CC[*:1]
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c(C)n1CCc1cccs1 c1csc(c1)CC[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(C2=O)c2ccc3OCCOc3c2)c(C)n1[*:1]
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c(C)n1CCc1cccs1 c1csc(c1)C[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(C2=O)c2ccc3OCCOc3c2)c(C)n1C[*:1]
CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1 CCCO[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)c1ccc(cc1)[*:1]
CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1 COC(=O)[*:1] CCCOc1ccc(cc1)C(=O)Nc1cc(ccc1C)[*:1]
CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1 CCC[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)c1ccc(cc1)O[*:1]
COC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1 COC(=O)[*:1] C[C@H]([NH2+][C@H](C)c1ccccc1)[C@@H](C)[*:1]
CC(C)(C)c1cc(C[C@@H]2C[C@H]([NH2+]C3CCOCC3)C2(C)C)no1 CC(C)(C)[*:1] CC1(C)[C@H](Cc2cc(on2)[*:1])C[C@@H]1[NH2+]C1CCOCC1
CC(C)(C)c1cc(C[C@@H]2C[C@H]([NH2+]C3CCOCC3)C2(C)C)no1 C1CC(CCO1)[*:1] CC(C)(C)c1cc(C[C@@H]2C[C@H]([NH2+][*:1])C2(C)C)no1
O=C([O-])CS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)CC(=O)[O-])cc2)cc1 O=C([O-])[*:1] O=C([O-])CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C[*:1]
O=C([O-])CS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)CC(=O)[O-])cc2)cc1 O=C([O-])C[*:1] O=C([O-])CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[*:1]
O=C([O-])CS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)CC(=O)[O-])cc2)cc1 O=C([O-])CS(=O)(=O)[*:1] O=C([O-])CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[*:1]
CC(=O)N1CCOc2ccc(S(=O)(=O)NCC3CCC(C(=O)Nc4cccc(C)n4)CC3)cc21 Cc1cccc(n1)NC(=O)[*:1] CC(=O)N1CCOc2ccc(cc21)S(=O)(=O)NCC1CCC(CC1)[*:1]
CC(=O)N1CCOc2ccc(S(=O)(=O)NCC3CCC(C(=O)Nc4cccc(C)n4)CC3)cc21 Cc1cccc(n1)[*:1] CC(=O)N1CCOc2ccc(cc21)S(=O)(=O)NCC1CCC(CC1)C(=O)N[*:1]
Cc1ccc(C)c(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)Nc1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
Cc1ccc(C)c(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[*:1]
Cc1ccc(C)c(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])c1 Cc1ccc(C)c(c1)N[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1ccc(Cl)cc1
Cc1ccc(C)c(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])c1 Cc1ccc(C)c(c1)[*:1] O=C(NNc1ncnc(N[*:1])c1[N+](=O)[O-])c1ccc(Cl)cc1
CCc1cc([N+](=O)[O-])cc2nc(N)oc12 O=[N+]([O-])[*:1] CCc1cc(cc2nc(N)oc12)[*:1]
Cc1nonc1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2C=c3ccccc3=[NH+]2)C1 Cc1nonc1C[*:1] O=C(NC[C@@H]1CCCN(C1)C(=O)[*:1])[C@@H]1C=c2ccccc2=[NH+]1
Cc1nonc1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2C=c3ccccc3=[NH+]2)C1 Cc1nonc1[*:1] O=C(NC[C@@H]1CCCN(C1)C(=O)C[*:1])[C@@H]1C=c2ccccc2=[NH+]1
O=C(C[S@](=O)Cc1cccc2ccccc12)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[S@](=O)Cc1cccc2ccccc12)NCC[*:1]
O=C(C[S@](=O)Cc1cccc2ccccc12)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[S@](=O)Cc1cccc2ccccc12)NC[*:1]
O=C(C[S@](=O)Cc1cccc2ccccc12)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(C[S@](=O)Cc1cccc2ccccc12)N[*:1]
O=C(CCSc1ccc(F)cc1)NCc1ccc[nH+]c1N1CCOCC1 Fc1ccc(cc1)S[*:1] O=C(CC[*:1])NCc1ccc[nH+]c1N1CCOCC1
O=C(CCSc1ccc(F)cc1)NCc1ccc[nH+]c1N1CCOCC1 C1CN(CCO1)[*:1] O=C(CCSc1ccc(F)cc1)NCc1ccc[nH+]c1[*:1]
O=C(CCSc1ccc(F)cc1)NCc1ccc[nH+]c1N1CCOCC1 Fc1ccc(cc1)[*:1] O=C(CCS[*:1])NCc1ccc[nH+]c1N1CCOCC1
C[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccsc1 C[C@@H](c1ccsc1)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)NC[*:1]
C[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)NCc1cccc(c1)C[NH+](C)C)[*:1]
Cc1ccc(N2C[C@H](c3nnc(NC(=O)CS(=O)(=O)c4ccccc4)s3)CC2=O)cc1 O=S(=O)(c1ccccc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)C[*:1])s1
Cc1ccc(N2C[C@H](c3nnc(NC(=O)CS(=O)(=O)c4ccccc4)s3)CC2=O)cc1 O=S(=O)(C[*:1])c1ccccc1 Cc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])s1
Cc1ccc(N2C[C@H](c3nnc(NC(=O)CS(=O)(=O)c4ccccc4)s3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1ccccc1)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](c3nnc(NC(=O)CS(=O)(=O)c4ccccc4)s3)CC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)CS(=O)(=O)[*:1])s1
CC[C@@H](C)C(=O)N1CCCc2cc(Br)cc(F)c21 CC[C@@H](C)[*:1] O=C(N1CCCc2cc(Br)cc(F)c21)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[C@H](O)C2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CC[C@H](O)C1)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[C@H](O)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc(c(c1)[*:1])N1CC[C@H](O)C1
Cc1ccc(CCC(=O)N(C)c2ccccc2S(C)(=O)=O)o1 Cc1ccc(C[*:1])o1 CN(C(=O)C[*:1])c1ccccc1S(C)(=O)=O
Cc1ccc(CCC(=O)N(C)c2ccccc2S(C)(=O)=O)o1 Cc1ccc(o1)[*:1] CN(C(=O)CC[*:1])c1ccccc1S(C)(=O)=O
Cc1ccc(CCC(=O)N(C)c2ccccc2S(C)(=O)=O)o1 CS(=O)(=O)[*:1] Cc1ccc(CCC(=O)N(C)c2ccccc2[*:1])o1
CN(C(=O)NCc1nnc2n1CCC2)[C@@H]1CCCc2ccccc21 C1Cc2nnc(n2C1)[*:1] CN(C(=O)NC[*:1])[C@@H]1CCCc2ccccc21
COC(=O)c1nc(C(F)(F)F)cs1 COC(=O)[*:1] FC(F)(F)c1csc(n1)[*:1]
COC(=O)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] COC(=O)c1nc(cs1)[*:1]
CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc(C#N)cc1 CCO[*:1] N#Cc1ccc(cc1)S(=O)(=O)Oc1ccc(C#N)cc1[*:1]
C[C@@H](SCc1ccc(C(N)=O)cc1)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](SCc1ccc(cc1)C(N)=O)C(=O)NC[*:1]
C[C@@H](SCc1ccc(C(N)=O)cc1)C(=O)NCc1ccc(Cl)cc1 NC(=O)[*:1] C[C@@H](SCc1ccc(cc1)[*:1])C(=O)NCc1ccc(Cl)cc1
C[C@@H](SCc1ccc(C(N)=O)cc1)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@@H](SCc1ccc(cc1)C(N)=O)C(=O)N[*:1]
O=[S@](Cc1cn2ccccc2n1)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=[S@](Cc1cn2ccccc2n1)C[*:1]
COCCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)nc2cc(Cl)ccc2c1=O COC[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[*:1])C(=O)N[C@@H]1CCCC[C@H]1C
COCCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)nc2cc(Cl)ccc2c1=O COCC[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1[*:1])C(=O)N[C@@H]1CCCC[C@H]1C
CC(C)COc1cccc(CNc2ncccc2C#N)c1 CC(C)CO[*:1] N#Cc1cccnc1NCc1cccc(c1)[*:1]
CC(C)COc1cccc(CNc2ncccc2C#N)c1 CC(C)[*:1] N#Cc1cccnc1NCc1cccc(c1)OC[*:1]
CC(C)COc1cccc(CNc2ncccc2C#N)c1 CC(C)C[*:1] N#Cc1cccnc1NCc1cccc(c1)O[*:1]
C[C@@H]1C[C@@H]1C(=O)Cc1nccs1 C[C@@H]1C[C@H]1[*:1] O=C(Cc1nccs1)[*:1]
O=C([C@H]1CC(Cc2ccccc2)=NO1)N1CCC[C@H](c2nc3ccccc3o2)C1 c1ccc(cc1)[*:1] O=C([C@H]1CC(C[*:1])=NO1)N1CCC[C@@H](C1)c1nc2ccccc2o1
O=C([C@H]1CC(Cc2ccccc2)=NO1)N1CCC[C@H](c2nc3ccccc3o2)C1 c1ccc2oc(nc2c1)[*:1] O=C([C@H]1CC(Cc2ccccc2)=NO1)N1CCC[C@H](C1)[*:1]
O=C([C@H]1CC(Cc2ccccc2)=NO1)N1CCC[C@H](c2nc3ccccc3o2)C1 c1ccc(cc1)C[*:1] O=C([C@H]1CC(=NO1)[*:1])N1CCC[C@@H](C1)c1nc2ccccc2o1
COc1ccc([C@@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N2C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)N2CCC3(CC2)OCCO3)[C@H]1[*:1]
O=C(Nc1cc(-c2ccco2)ccc1F)c1cn2cccnc2n1 c1coc(c1)[*:1] O=C(Nc1cc(ccc1F)[*:1])c1cn2cccnc2n1
CNC(=O)Cc1ccc(NC(=O)/C=C(/C)c2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)C=C(C)[*:1]
CNC(=O)Cc1ccc(NC(=O)/C=C(/C)c2ccc(F)cc2F)cc1 CNC(=O)[*:1] C/C(=C/C(=O)Nc1ccc(cc1)C[*:1])c1ccc(F)cc1F
CNC(=O)Cc1ccc(NC(=O)/C=C(/C)c2ccc(F)cc2F)cc1 CNC(=O)C[*:1] C/C(=C/C(=O)Nc1ccc(cc1)[*:1])c1ccc(F)cc1F
CN(C)c1cccc(C(=O)NNC(=O)NCc2cccnc2)c1 c1cncc(c1)C[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)N[*:1]
CN(C)c1cccc(C(=O)NNC(=O)NCc2cccnc2)c1 CN(C)[*:1] O=C(NCc1cccnc1)NNC(=O)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)NNC(=O)NCc2cccnc2)c1 c1cncc(c1)[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)NC[*:1]
Cc1ccc(-n2[nH]c(C(=O)N3CCCCC[C@H]3CC(C)C)cc2=O)cc1 CC(C)C[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N1CCCCC[C@@H]1[*:1]
Cc1ccc(-n2[nH]c(C(=O)N3CCCCC[C@H]3CC(C)C)cc2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@@H]1CCCCCN1C(=O)c1cc(=O)n([nH]1)[*:1]
Cc1ccc(-n2[nH]c(C(=O)N3CCCCC[C@H]3CC(C)C)cc2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N1CCCCC[C@H]1C[*:1]
C[C@@H](CO)NC(=O)NCc1cc[nH+]c(N2CC[NH+](C)CC2)c1 C[C@@H](CO)[*:1] C[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)N[*:1]
Cn1nc(N2CCC(CC(=O)[O-])CC2)c(=O)n(C)c1=O O=C([O-])[*:1] Cn1nc(c(=O)n(C)c1=O)N1CCC(CC1)C[*:1]
Cn1nc(N2CCC(CC(=O)[O-])CC2)c(=O)n(C)c1=O O=C([O-])C[*:1] Cn1nc(c(=O)n(C)c1=O)N1CCC(CC1)[*:1]
COC(=O)c1ccc(C)c(OC(=O)c2cc(C3CC3)[nH]n2)c1 C1CC1[*:1] COC(=O)c1ccc(C)c(c1)OC(=O)c1cc([nH]n1)[*:1]
COC(=O)c1ccc(C)c(OC(=O)c2cc(C3CC3)[nH]n2)c1 COC(=O)[*:1] Cc1ccc(cc1OC(=O)c1cc([nH]n1)C1CC1)[*:1]
Cc1cc(O)cc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1cc(O)cc(C)c1NC(=O)c1ccc(cc1)[*:1]
C[C@H](CN1CCCC1=O)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl O=C1CCCN1C[*:1] C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl)[*:1]
C[C@H](CN1CCCC1=O)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](CN1CCCC1=O)NC(=O)N[C@@H]1C[C@H]1[*:1]
C[C@H](CN1CCCC1=O)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl O=C1CCCN1[*:1] C[C@H](C[*:1])NC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl
Cc1ccccc1O[C@H](C)CNC(=O)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] Cc1ccccc1O[C@H](C)CNC(=O)c1ccc(cc1)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)c1ccc(-n2ccnc2)cc1 Cc1ccccc1O[*:1] C[C@H](CNC(=O)c1ccc(cc1)-n1ccnc1)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)c1ccc(-n2ccnc2)cc1 Cc1ccccc1[*:1] C[C@H](CNC(=O)c1ccc(cc1)-n1ccnc1)O[*:1]
COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4cccc[nH+]4)CC3)N2)c1 COc1ccc(OC)c(c1)[*:1] O=C1C[C@H](NC(=N1)N1CCN(CC1)c1cccc[nH+]1)C(=O)N[*:1]
Cc1cccc(CC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(C)cc2C)c1 Cc1cccc(c1)CC(=O)N[*:1] Cc1ccc(c(C)c1)-n1ncc2c(ncnc21)-n1nc(C)cc1[*:1]
Cc1cccc(CC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(C)cc2C)c1 Cc1cccc(c1)C[*:1] Cc1ccc(c(C)c1)-n1ncc2c(ncnc21)-n1nc(C)cc1NC(=O)[*:1]
Cc1cccc(CC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(C)cc2C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cccc(c1)CC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2[*:1]
Cc1cccc(CC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(C)cc2C)c1 Cc1cccc(c1)[*:1] Cc1ccc(c(C)c1)-n1ncc2c(ncnc21)-n1nc(C)cc1NC(=O)C[*:1]
Cc1cc(C)c(O)c(NC(=O)c2csc(CC[NH3+])n2)c1 [NH3+]CC[*:1] Cc1cc(C)c(O)c(c1)NC(=O)c1csc(n1)[*:1]
Cc1csc(C(=O)N2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)c1 C1CCC(C1)[*:1] Cc1csc(c1)C(=O)N1CCC(CC1)c1nn(C)c(=O)n1[*:1]
Cc1csc(C(=O)N2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)c1 Cc1csc(c1)[*:1] Cn1nc(C2CCN(CC2)C(=O)[*:1])n(c1=O)C1CCCC1
CC(C)(C)SCC(=O)Nc1cccc(Cl)c1C(N)=O CC(C)(C)SC[*:1] NC(=O)c1c(Cl)cccc1NC(=O)[*:1]
CC(C)(C)SCC(=O)Nc1cccc(Cl)c1C(N)=O CC(C)(C)[*:1] NC(=O)c1c(Cl)cccc1NC(=O)CS[*:1]
CC(C)(C)SCC(=O)Nc1cccc(Cl)c1C(N)=O CC(C)(C)S[*:1] NC(=O)c1c(Cl)cccc1NC(=O)C[*:1]
CC(C)(C)SCC(=O)Nc1cccc(Cl)c1C(N)=O NC(=O)[*:1] CC(C)(C)SCC(=O)Nc1cccc(Cl)c1[*:1]
CCN(Cc1cccs1)C(=O)NCCc1ccc(F)cc1C c1csc(c1)[*:1] CCN(C[*:1])C(=O)NCCc1ccc(F)cc1C
CCN(Cc1cccs1)C(=O)NCCc1ccc(F)cc1C c1csc(c1)C[*:1] CCN(C(=O)NCCc1ccc(F)cc1C)[*:1]
Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCCC4=O)cc3)c2C)no1 O=C1CCCN1[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)COC(=O)c2ccc(cc2)[*:1])c1C
Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(N4CCCC4=O)cc3)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)COC(=O)c2ccc(cc2)N2CCCC2=O)c(C)n1[*:1]
Cc1cccc(O[C@@H](C)C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Oc1ccc(cc1)N1C(=O)c2ccccc2C1=O
Cc1cccc(O[C@@H](C)C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 Cc1cccc(c1)O[*:1] C[C@@H](C(=O)Oc1ccc(cc1)N1C(=O)c2ccccc2C1=O)[*:1]
O=C(Nc1cc(Cl)c(Cl)cn1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(Nc1cc(Cl)c(Cl)cn1)c1ccc(cc1)[*:1]
O=C(Nc1cc(Cl)c(Cl)cn1)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(Nc1cc(Cl)c(Cl)cn1)c1ccc(cc1)O[*:1]
C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)NC1CC1 O=C(C[*:1])NC1CC1 C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1[*:1]
C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1C[*:1]
C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)NC1CC1 C1CC1[*:1] C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)N[*:1]
CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc[n+]1[O-] CC(C)[*:1] CCOc1ccccc1[C@H](C[*:1])NC(=O)c1cccc[n+]1[O-]
CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] CCOc1ccccc1[C@H](CC(C)C)NC(=O)[*:1]
CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc[n+]1[O-] CC(C)C[*:1] CCOc1ccccc1[C@H](NC(=O)c1cccc[n+]1[O-])[*:1]
CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc[n+]1[O-] CCO[*:1] CC(C)C[C@H](NC(=O)c1cccc[n+]1[O-])c1ccccc1[*:1]
COc1cccc(C(=O)Nc2nnc(-c3ccccc3C)s2)c1OC Cc1ccccc1[*:1] COc1cccc(C(=O)Nc2nnc(s2)[*:1])c1OC
C[C@H](OC(=O)[C@H]1CCO[C@@H]1C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](OC(=O)[C@H]1CCO[C@@H]1C)c1ccc(cc1)O[*:1]
C[C@H](OC(=O)[C@H]1CCO[C@@H]1C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@H](OC(=O)[C@H]1CCO[C@@H]1C)c1ccc(cc1)[*:1]
CC[C@@]1(C)NC(=O)N(NC(=O)CN2CC(n3nc(C)cc3C)C2)C1=O Cc1cc(C)n(n1)[*:1] CC[C@@]1(C)NC(=O)N(NC(=O)CN2CC(C2)[*:1])C1=O
Cc1cc(C)c(NC(=O)CS[C@H]2N=NC(=O)[C@@H]3C=C(c4ccc(C(C)C)cc4)NN32)c(C)c1 CC(C)c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CS[C@H]2N=NC(=O)[C@@H]3C=C(NN32)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CS[C@H]2N=NC(=O)[C@@H]3C=C(c4ccc(C(C)C)cc4)NN32)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CC(C)c1ccc(cc1)C1=C[C@H]2C(=O)N=N[C@H](SCC(=O)N[*:1])N2N1
Cc1cc(C)c(NC(=O)CS[C@H]2N=NC(=O)[C@@H]3C=C(c4ccc(C(C)C)cc4)NN32)c(C)c1 CC(C)[*:1] Cc1cc(C)c(NC(=O)CS[C@H]2N=NC(=O)[C@@H]3C=C(NN32)c2ccc(cc2)[*:1])c(C)c1
C[C@@H](OC(=O)c1cccn1C)C(=O)N[C@@H]1CCCc2ccccc21 Cn1cccc1[*:1] C[C@@H](OC(=O)[*:1])C(=O)N[C@@H]1CCCc2ccccc21
Cc1ccncc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 Cc1ccncc1[*:1] CN(C)CC[NH+]1CCC(CC1)NC(=O)N[*:1]
Cc1ccncc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 CN(C)CC[*:1] Cc1ccncc1NC(=O)NC1CC[NH+](CC1)[*:1]
Cc1ccncc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 CN(C)[*:1] Cc1ccncc1NC(=O)NC1CC[NH+](CC1)CC[*:1]
Cc1ccncc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 CN(C)C[*:1] Cc1ccncc1NC(=O)NC1CC[NH+](CC1)C[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@@H](C)N(C)c1ccccc1 c1ccc(cc1)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@@H](C)N(C)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@@H](C)N(C)c1ccccc1 CN(c1ccccc1)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[C@@H](C)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 CC(=O)[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(OCCc2cccs2)c(CCl)n1 c1csc(c1)[*:1] Cc1ccc(OCC[*:1])c(CCl)n1
CC(C)N1CCN(C(=O)CC2([NH3+])CCC2)CC1 CC(C)[*:1] [NH3+]C1(CCC1)CC(=O)N1CCN(CC1)[*:1]
CCCOC[C@H](C)[C@H](C)[NH2+]CC CCC[*:1] CC[NH2+][C@@H](C)[C@@H](C)CO[*:1]
CCCOC[C@H](C)[C@H](C)[NH2+]CC CCCO[*:1] CC[NH2+][C@@H](C)[C@@H](C)C[*:1]
C=CCNC(=O)c1ccc(N2CC[C@H](CN3CCOCC3)C2)nc1 C=CC[*:1] O=C(N[*:1])c1ccc(nc1)N1CC[C@H](CN2CCOCC2)C1
C=CCNC(=O)c1ccc(N2CC[C@H](CN3CCOCC3)C2)nc1 C1CN(CCO1)C[*:1] C=CCNC(=O)c1ccc(nc1)N1CC[C@H](C1)[*:1]
C=CCNC(=O)c1ccc(N2CC[C@H](CN3CCOCC3)C2)nc1 C=CCNC(=O)[*:1] c1cc(ncc1[*:1])N1CC[C@H](CN2CCOCC2)C1
C=CCNC(=O)c1ccc(N2CC[C@H](CN3CCOCC3)C2)nc1 C1CN(CCO1)[*:1] C=CCNC(=O)c1ccc(nc1)N1CC[C@@H](C1)C[*:1]
CCCCS[C@@H](C)C(=O)N(C)c1ccc(Br)cn1 CCCC[*:1] C[C@H](S[*:1])C(=O)N(C)c1ccc(Br)cn1
CCCCS[C@@H](C)C(=O)N(C)c1ccc(Br)cn1 CCCCS[*:1] C[C@@H](C(=O)N(C)c1ccc(Br)cn1)[*:1]
CCCCS[C@@H](C)C(=O)N(C)c1ccc(Br)cn1 CCC[*:1] C[C@H](SC[*:1])C(=O)N(C)c1ccc(Br)cn1
O=C(Nc1ccncc1)[C@@H]1CSc2nccc(=O)n2C1 c1cc(ccn1)[*:1] O=C(N[*:1])[C@@H]1CSc2nccc(=O)n2C1
Cc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)c(C)n1 C1CN(CCO1)[*:1] Cc1ccc(C(=O)Nc2nc(cs2)C[*:1])c(C)n1
Cc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)c(C)n1 C1CN(CCO1)C[*:1] Cc1ccc(C(=O)Nc2nc(cs2)[*:1])c(C)n1
Cc1cc(C)c(NC(=O)c2cccc(OCCC(C)C)c2)c(C)c1 CC(C)CC[*:1] Cc1cc(C)c(NC(=O)c2cccc(c2)O[*:1])c(C)c1
Cc1cc(C)c(NC(=O)c2cccc(OCCC(C)C)c2)c(C)c1 CC(C)C[*:1] Cc1cc(C)c(NC(=O)c2cccc(c2)OC[*:1])c(C)c1
Cc1cc(C)c(NC(=O)c2cccc(OCCC(C)C)c2)c(C)c1 CC(C)CCO[*:1] Cc1cc(C)c(NC(=O)c2cccc(c2)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)c2cccc(OCCC(C)C)c2)c(C)c1 CC(C)[*:1] Cc1cc(C)c(NC(=O)c2cccc(c2)OCC[*:1])c(C)c1
CCCS[C@H](C)C(=O)Nc1cc(F)ccc1F CCCS[*:1] C[C@H](C(=O)Nc1cc(F)ccc1F)[*:1]
CCCS[C@H](C)C(=O)Nc1cc(F)ccc1F CCC[*:1] C[C@@H](S[*:1])C(=O)Nc1cc(F)ccc1F
CC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2nc3c(C)cccc3s2)c1C c1ccc(cc1)[*:1] CC(=O)c1cc(n(CCC(=O)Nc2nc3c(C)cccc3s2)c1C)[*:1]
CC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2nc3c(C)cccc3s2)c1C Cc1cccc2sc(nc12)[*:1] CC(=O)c1cc(-c2ccccc2)n(CCC(=O)N[*:1])c1C
CC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2nc3c(C)cccc3s2)c1C CC(=O)[*:1] Cc1cccc2sc(nc12)NC(=O)CCn1c(cc(c1C)[*:1])-c1ccccc1
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(=O)NCc1cccs1 O=C(N[*:1])c1ccccc1 Cc1ccc(cc1NC(=O)C(=O)NCc1cccs1)[*:1]
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(=O)NCc1cccs1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)C(=O)NCc1cccs1)NC(=O)[*:1]
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(=O)NCc1cccs1 c1csc(c1)[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[*:1])NC(=O)c1ccccc1
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(=O)NCc1cccs1 c1csc(c1)C[*:1] Cc1ccc(cc1NC(=O)C(=O)N[*:1])NC(=O)c1ccccc1
O=C([O-])Cc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 O=C([O-])[*:1] O=C1CN(CCN1)S(=O)(=O)c1ccc(cc1)C[*:1]
O=C([O-])Cc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 O=C([O-])C[*:1] O=C1CN(CCN1)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2nnc(C(C)(C)C)o2)C1 CC(C)(C)[*:1] C[C@H]1CC(C)(C)C[C@@](CO)(C1)[NH2+]Cc1nnc(o1)[*:1]
COc1ccc(N2C(SCC(=O)N3CCCCCC3)=NN[C@@H]2Cc2cc(=O)[nH]c(=O)[nH]2)cc1 COc1ccc(cc1)[*:1] O=C(CSC1=NN[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1[*:1])N1CCCCCC1
COc1ccc(N2C(SCC(=O)N3CCCCCC3)=NN[C@@H]2Cc2cc(=O)[nH]c(=O)[nH]2)cc1 O=C(N1CCCCCC1)[*:1] COc1ccc(cc1)N1C(=NN[C@@H]1Cc1cc(=O)[nH]c(=O)[nH]1)SC[*:1]
COc1ccc(N2C(SCC(=O)N3CCCCCC3)=NN[C@@H]2Cc2cc(=O)[nH]c(=O)[nH]2)cc1 O=C(C[*:1])N1CCCCCC1 COc1ccc(cc1)N1C(=NN[C@@H]1Cc1cc(=O)[nH]c(=O)[nH]1)S[*:1]
O=S(=O)(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCOCC1 C1CC1[*:1] O=S(=O)(c1ccc(cc1)-c1csc(n1)[*:1])N1CCOCC1
Cc1ccoc1[C@H](C)NC[C@H](O)c1ccccc1Cl Cc1ccoc1[*:1] C[C@H](NC[C@H](O)c1ccccc1Cl)[*:1]
Cc1ccc(NC(=O)[C@@H](C)O[C@@H]2CCC[C@H](C)C2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H](C)O[C@@H]1CCC[C@H](C)C1
CC(C)N(CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccccc1F c1ccc(cc1)[*:1] CC(C)N(CC(=O)N1CCCN(CC1)c1ccc(nn1)[*:1])C(=O)c1ccccc1F
CC(C)N(CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccccc1F CC(C)[*:1] O=C(CN(C(=O)c1ccccc1F)[*:1])N1CCCN(CC1)c1ccc(nn1)-c1ccccc1
CC(C)N(CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccccc1F Fc1ccccc1[*:1] CC(C)N(CC(=O)N1CCCN(CC1)c1ccc(nn1)-c1ccccc1)C(=O)[*:1]
C[C@H](CN(C)S(=O)(=O)Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] C[C@H](CN(C)S(=O)(=O)[*:1])c1ccccc1
C[C@H](CN(C)S(=O)(=O)Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CN(C)S(=O)(=O)C[*:1])c1ccccc1
C[C@H](CN(C)S(=O)(=O)Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CN(C)S(=O)(=O)Cc1ccccc1)[*:1]
CC[NH+](CCS(C)(=O)=O)Cc1ccc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] CC[NH+](CCS(C)(=O)=O)Cc1ccc(o1)[*:1]
CC[NH+](CCS(C)(=O)=O)Cc1ccc(-c2ccc(Cl)cc2)o1 CS(=O)(=O)CC[*:1] CC[NH+](Cc1ccc(o1)-c1ccc(Cl)cc1)[*:1]
CC[NH+](CCS(C)(=O)=O)Cc1ccc(-c2ccc(Cl)cc2)o1 CS(=O)(=O)C[*:1] CC[NH+](Cc1ccc(o1)-c1ccc(Cl)cc1)C[*:1]
CC[NH+](CCS(C)(=O)=O)Cc1ccc(-c2ccc(Cl)cc2)o1 CS(=O)(=O)[*:1] CC[NH+](CC[*:1])Cc1ccc(o1)-c1ccc(Cl)cc1
O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3ccc(Br)cc3)no2)C1 Clc1ccc(cc1)[*:1] O=S(=O)(N1CCC[C@@H](C1)c1nc(no1)-c1ccc(Br)cc1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3ccc(Br)cc3)no2)C1 Brc1ccc(cc1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](C1)c1nc(no1)[*:1]
NC1=[NH+]C[C@H](c2cn(CCO)nn2)N1 OCC[*:1] NC1N[C@H](C[NH+]=1)c1cn(nn1)[*:1]
Cc1cc2ncn(CC3CCN(C(=O)c4cnn(-c5ccccc5)c4C)CC3)c2cc1C c1ccc(cc1)[*:1] Cc1cc2ncn(CC3CCN(CC3)C(=O)c3cnn(c3C)[*:1])c2cc1C
O=C(C[S@@](=O)Cc1cc(Cl)ccc1Cl)NC1CCCC1 C1CCC(C1)[*:1] O=C(C[S@@](=O)Cc1cc(Cl)ccc1Cl)N[*:1]
CCOc1ccc(F)c(C(=O)Nc2cc(F)c(OC)cc2F)c1F CCO[*:1] COc1cc(F)c(cc1F)NC(=O)c1c(F)ccc(c1F)[*:1]
Cc1nc(C[NH2+]CCCC(C)C)sc1C CC(C)CC[*:1] Cc1nc(C[NH2+]C[*:1])sc1C
Cc1nc(C[NH2+]CCCC(C)C)sc1C CC(C)[*:1] Cc1nc(C[NH2+]CCC[*:1])sc1C
Cc1nc(C[NH2+]CCCC(C)C)sc1C CC(C)C[*:1] Cc1nc(C[NH2+]CC[*:1])sc1C
CC(C)CCC[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C CC(C)[*:1] C[C@@H](CCC[*:1])[NH2+][C@H]1CC(C)(C)OC1(C)C
CC(C)CCC[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C CC(C)C[*:1] C[C@@H](CC[*:1])[NH2+][C@H]1CC(C)(C)OC1(C)C
CC(C)CCC[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C CC(C)CC[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CC(C)(C)OC1(C)C
CC(C)CCC[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C CC(C)CCC[*:1] C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)[*:1]
CCCCNc1nc(NCC)c2ccccc2[nH+]1 CCN[*:1] CCCCNc1nc(c2ccccc2[nH+]1)[*:1]
CCCCNc1nc(NCC)c2ccccc2[nH+]1 CCCCN[*:1] CCNc1nc([nH+]c2ccccc12)[*:1]
CCCCNc1nc(NCC)c2ccccc2[nH+]1 CCC[*:1] CCNc1nc(NC[*:1])[nH+]c2ccccc12
CCCCNc1nc(NCC)c2ccccc2[nH+]1 CCCC[*:1] CCNc1nc(N[*:1])[nH+]c2ccccc12
CCCc1ccc(S(=O)(=O)Nc2cnn(CCO)c2)cc1 CCC[*:1] O=S(=O)(Nc1cnn(c1)CCO)c1ccc(cc1)[*:1]
CCCc1ccc(S(=O)(=O)Nc2cnn(CCO)c2)cc1 OCC[*:1] CCCc1ccc(cc1)S(=O)(=O)Nc1cnn(c1)[*:1]
Cc1cc(NC(=O)[C@H](C)c2cccnc2)c2ncccc2c1 c1cncc(c1)[*:1] Cc1cc(NC(=O)[C@H](C)[*:1])c2ncccc2c1
CCN1C(=O)[C@](C)(C(=O)Nc2ccccn2)Oc2ccccc21 c1ccc(nc1)[*:1] CCN1C(=O)[C@@](C)(Oc2ccccc21)C(=O)N[*:1]
CCCNC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 CCCNC(=O)C[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccccc1F
CCCNC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 CCCNC(=O)CO[*:1] O=C(C[*:1])N1CCN(CC1)c1ccccc1F
CCCNC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 CCCNC(=O)[*:1] O=C(COC[*:1])N1CCN(CC1)c1ccccc1F
CCCNC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] CCCNC(=O)COCC(=O)N1CCN(CC1)[*:1]
CCCNC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 CCC[*:1] O=C(COCC(=O)N1CCN(CC1)c1ccccc1F)N[*:1]
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CSc1nnnn1C Cn1nnnc1SC[*:1] CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[*:1]
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CSc1nnnn1C c1ccc(cc1)[*:1] CC[C@@H]([C@H]1CCCN1C(=O)CSc1nnnn1C)[*:1]
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CSc1nnnn1C Cn1nnnc1[*:1] CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CS[*:1]
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CSc1nnnn1C Cn1nnnc1S[*:1] CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)OC(C)C)c2cccnc12 CC(C)OC(=O)[*:1] Cc1ccc(c2cccnc12)S(=O)(=O)NCC[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)OC(C)C)c2cccnc12 CC(C)OC(=O)C[*:1] Cc1ccc(c2cccnc12)S(=O)(=O)NC[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)OC(C)C)c2cccnc12 CC(C)[*:1] Cc1ccc(c2cccnc12)S(=O)(=O)NCCC(=O)O[*:1]
COc1ncnc2ccc(-c3ccccc3CN3CCOCC3)cc12 C1CN(CCO1)[*:1] COc1ncnc2ccc(cc12)-c1ccccc1C[*:1]
COc1ncnc2ccc(-c3ccccc3CN3CCOCC3)cc12 C1CN(CCO1)C[*:1] COc1ncnc2ccc(cc12)-c1ccccc1[*:1]
O=C1CCCN1c1ccc(S(=O)(=O)NCCC2=c3ccccc3=[NH+]C2)cc1 O=C1CCCN1[*:1] O=S(=O)(NCCC1C[NH+]=c2ccccc2=1)c1ccc(cc1)[*:1]
O=[S@@](CCOC1CCCCCC1)Cc1sccc1Br Brc1ccsc1[*:1] O=[S@@](CCOC1CCCCCC1)C[*:1]
Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(F)(F)F Cn1ccnc1[*:1] O=C(NCC[C@](O)(C(F)(F)F)[*:1])N1CCN(CC1)c1cccc(Cl)c1
Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(F)(F)F FC(F)(F)[*:1] Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(F)(F)F Clc1cccc(c1)[*:1] Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(CC1)[*:1])C(F)(F)F
CC(C)n1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cn1 Fc1ccc(cc1)[*:1] CC(C)n1cc(cn1)C(=O)N1CCC[C@@H](C1)[NH+]1CCN(CC1)[*:1]
CC(C)n1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cn1 CC(C)[*:1] O=C(c1cnn(c1)[*:1])N1CCC[C@@H](C1)[NH+]1CCN(CC1)c1ccc(F)cc1
CC(C)n1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cn1 CC(C)n1cc(cn1)[*:1] O=C(N1CCC[C@@H](C1)[NH+]1CCN(CC1)c1ccc(F)cc1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccnnc1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccnnc1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccnnc1)C1CCCCC1 c1cc(cnn1)[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])C1CCCCC1
COc1ccccc1[C@H](CNCc1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] COc1ccccc1[C@H](CNC[*:1])[NH+]1CCCC1
COc1ccccc1[C@H](CNCc1ccco1)[NH+]1CCCC1 c1coc(c1)CN[*:1] COc1ccccc1[C@H](C[*:1])[NH+]1CCCC1
COc1ccccc1[C@H](CNCc1ccco1)[NH+]1CCCC1 c1coc(c1)C[*:1] COc1ccccc1[C@H](CN[*:1])[NH+]1CCCC1
Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)CCc2c(C)nn(C)c2C)c1 Cc1nn(C)c(C)c1C[*:1] Cc1cccc(c1)CN(C[C@@H]1CCCO1)C(=O)C[*:1]
Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)CCc2c(C)nn(C)c2C)c1 Cc1nn(C)c(C)c1[*:1] Cc1cccc(c1)CN(C[C@@H]1CCCO1)C(=O)CC[*:1]
Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)CCc2c(C)nn(C)c2C)c1 Cc1cccc(c1)[*:1] Cc1nn(C)c(C)c1CCC(=O)N(C[C@@H]1CCCO1)C[*:1]
Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)CCc2c(C)nn(C)c2C)c1 C1CO[C@@H](C1)C[*:1] Cc1cccc(c1)CN(C(=O)CCc1c(C)nn(C)c1C)[*:1]
Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)CCc2c(C)nn(C)c2C)c1 Cc1cccc(c1)C[*:1] Cc1nn(C)c(C)c1CCC(=O)N(C[C@@H]1CCCO1)[*:1]
COc1ccc(CN(Cc2ccccc2C#N)C2CCCC2)cc1O C1CCC(C1)[*:1] COc1ccc(cc1O)CN(Cc1ccccc1C#N)[*:1]
COc1ccc(CN(Cc2ccccc2C#N)C2CCCC2)cc1O N#Cc1ccccc1[*:1] COc1ccc(cc1O)CN(C[*:1])C1CCCC1
COc1ccccc1N1CCN(C[C@@H](O)COc2cc(C)ccc2C)CC1 COc1ccccc1[*:1] Cc1ccc(C)c(c1)OC[C@H](O)CN1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C[C@@H](O)COc2cc(C)ccc2C)CC1 Cc1ccc(C)c(c1)[*:1] COc1ccccc1N1CCN(CC1)C[C@@H](O)CO[*:1]
COc1ccccc1N1CCN(C[C@@H](O)COc2cc(C)ccc2C)CC1 Cc1ccc(C)c(c1)O[*:1] COc1ccccc1N1CCN(CC1)C[C@@H](O)C[*:1]
COc1ccc(C)cc1NC(=O)N[C@H](CCCO)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)N[C@H](CCCO)[*:1]
COc1ccc(C)cc1NC(=O)N[C@H](CCCO)c1ccccc1 OCCC[*:1] COc1ccc(C)cc1NC(=O)N[C@H](c1ccccc1)[*:1]
COc1ccc(C)cc1NC(=O)N[C@H](CCCO)c1ccccc1 OCC[*:1] COc1ccc(C)cc1NC(=O)N[C@H](C[*:1])c1ccccc1
CC(=O)NC1CC[NH+](Cc2c(C)nc3sccn23)CC1 CC(=O)N[*:1] Cc1nc2sccn2c1C[NH+]1CCC(CC1)[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)c3ccc4ccccc4c3)CC2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc2ccccc2c1
Cc1cc(NC(=O)C2CCN(C(=O)c3ccc4ccccc4c3)CC2)no1 Cc1cc(no1)NC(=O)[*:1] O=C(c1ccc2ccccc2c1)N1CCC(CC1)[*:1]
O=C(Nc1cccc(O)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 Oc1cccc(c1)[*:1] O=C(N[*:1])c1ccc(o1)-c1ccc(Cl)c(Cl)c1
CCCC(C)(C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O CCC[*:1] CC(C)(NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
CCCC(C)(C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O CCCC(C)(C)[*:1] O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)N[*:1]
CCCC(C)(C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CCCC(C)(C)NC(=O)N[C@@H]1CCCN(C[*:1])C1=O
CCCC(C)(C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CCCC(C)(C)NC(=O)N[C@@H]1CCCN(C1=O)[*:1]
CC1=N[C@H]([N+](=O)[O-])[C@H](Sc2nc3ncc(Cl)cc3[nH]2)N1Cc1ccccc1 O=[N+]([O-])[*:1] CC1=N[C@H]([C@H](Sc2nc3ncc(Cl)cc3[nH]2)N1Cc1ccccc1)[*:1]
CC1=N[C@H]([N+](=O)[O-])[C@H](Sc2nc3ncc(Cl)cc3[nH]2)N1Cc1ccccc1 c1ccc(cc1)C[*:1] CC1=N[C@@H]([C@H](Sc2nc3ncc(Cl)cc3[nH]2)N1[*:1])[N+](=O)[O-]
CC1=N[C@H]([N+](=O)[O-])[C@H](Sc2nc3ncc(Cl)cc3[nH]2)N1Cc1ccccc1 c1ccc(cc1)[*:1] CC1=N[C@@H]([C@H](Sc2nc3ncc(Cl)cc3[nH]2)N1C[*:1])[N+](=O)[O-]
CN(C(=O)C[NH+](CC(=O)[O-])C(C)(C)C)c1ccccc1 CC(C)(C)[*:1] CN(C(=O)C[NH+](CC(=O)[O-])[*:1])c1ccccc1
CN(C(=O)C[NH+](CC(=O)[O-])C(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)C[NH+](CC(=O)[O-])C(C)(C)C)[*:1]
CN(C(=O)C[NH+](CC(=O)[O-])C(C)(C)C)c1ccccc1 O=C([O-])[*:1] CN(C(=O)C[NH+](C[*:1])C(C)(C)C)c1ccccc1
Cc1ccc([C@@H]2/C(=C([O-])/C=C/c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1/C(C(=O)C(=O)N1CCCN1CCOCC1)=C(\[O-])C=C[*:1]
Cc1ccc([C@@H]2/C(=C([O-])/C=C/c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 C(=C[*:1])c1ccccc1 Cc1ccc(cc1)[C@@H]1/C(C(=O)C(=O)N1CCCN1CCOCC1)=C(\[O-])[*:1]
Cc1ccc([C@@H]2/C(=C([O-])/C=C/c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 C(CN1CCOCC1)C[*:1] Cc1ccc(cc1)[C@@H]1/C(C(=O)C(=O)N1[*:1])=C([O-])/C=C/c1ccccc1
Cc1ccc([C@@H]2/C(=C([O-])/C=C/c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)[C@@H]1/C(C(=O)C(=O)N1CC[*:1])=C([O-])/C=C/c1ccccc1
Cc1ccc([C@@H]2/C(=C([O-])/C=C/c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C1C(=O)N(CCCN2CCOCC2)[C@@H](/C1=C([O-])/C=C/c1ccccc1)[*:1]
Cc1ccc([C@@H]2/C(=C([O-])/C=C/c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)[C@@H]1/C(C(=O)C(=O)N1C[*:1])=C([O-])/C=C/c1ccccc1
Cc1ccc([C@@H]2/C(=C([O-])/C=C/c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H]1/C(C(=O)C(=O)N1CCC[*:1])=C([O-])/C=C/c1ccccc1
[NH3+]CC[C@H](C(F)(F)F)S(=O)(=O)c1cccc(F)c1 FC(F)(F)[*:1] [NH3+]CC[C@H](S(=O)(=O)c1cccc(F)c1)[*:1]
CCC(C)(C)C(=O)N(C)Cc1nccn1Cc1ccccc1 CCC(C)(C)[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)[*:1]
CCC(C)(C)C(=O)N(C)Cc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] CCC(C)(C)C(=O)N(C)Cc1nccn1[*:1]
CCC(C)(C)C(=O)N(C)Cc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] CCC(C)(C)C(=O)N(C)Cc1nccn1C[*:1]
COC(=O)Nc1ccc(C[NH2+]Cc2ccccc2-n2cccn2)cc1 COC(=O)N[*:1] c1ccc(c(c1)C[NH2+]Cc1ccc(cc1)[*:1])-n1cccn1
COC(=O)Nc1ccc(C[NH2+]Cc2ccccc2-n2cccn2)cc1 c1cnn(c1)[*:1] COC(=O)Nc1ccc(cc1)C[NH2+]Cc1ccccc1[*:1]
COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c(OC)c1 c1ccc(cc1)C[*:1] COc1ccc(c(c1)OC)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1Nc2ccccc2C(=O)N1CC[*:1]
COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c(OC)c1 c1ccc(cc1)CC[*:1] COc1ccc(c(c1)OC)[C@H]1Nc2ccccc2C(=O)N1[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1)[*:1]
CC(C)c1cc(NC(=O)C(=O)NC[C@H](C)N(C)c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)c1cc(no1)NC(=O)C(=O)NC[C@H](C)N(C)[*:1]
CC(C)c1cc(NC(=O)C(=O)NC[C@H](C)N(C)c2ccccc2)no1 CC(C)[*:1] C[C@@H](CNC(=O)C(=O)Nc1cc(on1)[*:1])N(C)c1ccccc1
CC(C)c1cc(NC(=O)C(=O)NC[C@H](C)N(C)c2ccccc2)no1 CC(C)c1cc(no1)[*:1] C[C@@H](CNC(=O)C(=O)N[*:1])N(C)c1ccccc1
CC(C)c1cc(NC(=O)C(=O)NC[C@H](C)N(C)c2ccccc2)no1 CN(c1ccccc1)[*:1] CC(C)c1cc(no1)NC(=O)C(=O)NC[C@H](C)[*:1]
CC[C@@H](C)CN(CC)c1ncnc2ccc(N)cc12 CC[C@@H](C)C[*:1] CCN(c1ncnc2ccc(N)cc12)[*:1]
CC[C@@H](C)CN(CC)c1ncnc2ccc(N)cc12 CC[C@@H](C)[*:1] CCN(C[*:1])c1ncnc2ccc(N)cc12
C[C@@H]1Cc2ccccc2N1CCNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] C[C@@H]1Cc2ccccc2N1CCNC(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1c(C)cc(C)c(COC(=O)c2cc(S(C)(=O)=O)ccc2C)c1C CS(=O)(=O)[*:1] CC(=O)c1c(C)cc(C)c(COC(=O)c2cc(ccc2C)[*:1])c1C
CC(=O)c1c(C)cc(C)c(COC(=O)c2cc(S(C)(=O)=O)ccc2C)c1C CC(=O)[*:1] Cc1ccc(cc1C(=O)OCc1c(C)cc(C)c(c1C)[*:1])S(C)(=O)=O
Cc1ccc([C@@H]2C3=C([O-])CCCC3=NC3=NC(SCC(=O)NCc4ccccc4)=NC(=O)[C@H]32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1C2C(CCCC=2[O-])=NC2=NC(=NC(=O)[C@H]21)SCC(=O)NC[*:1]
Cc1ccc([C@@H]2C3=C([O-])CCCC3=NC3=NC(SCC(=O)NCc4ccccc4)=NC(=O)[C@H]32)cc1 O=C(C[*:1])NCc1ccccc1 Cc1ccc(cc1)[C@@H]1C2C(CCCC=2[O-])=NC2=NC(=NC(=O)[C@H]21)S[*:1]
Cc1ccc([C@@H]2C3=C([O-])CCCC3=NC3=NC(SCC(=O)NCc4ccccc4)=NC(=O)[C@H]32)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)[C@@H]1C2C(CCCC=2[O-])=NC2=NC(=NC(=O)[C@H]21)SCC(=O)N[*:1]
Cc1ccc([C@@H]2C3=C([O-])CCCC3=NC3=NC(SCC(=O)NCc4ccccc4)=NC(=O)[C@H]32)cc1 O=C(NCc1ccccc1)[*:1] Cc1ccc(cc1)[C@@H]1C2C(CCCC=2[O-])=NC2=NC(=NC(=O)[C@H]21)SC[*:1]
Cc1ccc([C@@H]2C3=C([O-])CCCC3=NC3=NC(SCC(=O)NCc4ccccc4)=NC(=O)[C@H]32)cc1 Cc1ccc(cc1)[*:1] O=C(CSC1=NC(=O)[C@@H]2C(N=C3CCCC([O-])=C3[C@H]2[*:1])=N1)NCc1ccccc1
COCC(=O)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 COC[*:1] O=C(N1CCC[C@H](C1)c1nccnc1-c1ccc(F)cc1)[*:1]
COCC(=O)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] COCC(=O)N1CCC[C@H](C1)c1nccnc1[*:1]
Cn1cc(C(=O)NCCn2c(C3CC3)n[nH]c2=S)c(-c2ccccc2)n1 C1CC1[*:1] Cn1cc(C(=O)NCCn2c(n[nH]c2=S)[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)NCCn2c(C3CC3)n[nH]c2=S)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)NCCn2c(n[nH]c2=S)C2CC2)c(n1)[*:1]
Cc1ccc(CC(=O)[O-])cc1Br O=C([O-])C[*:1] Cc1ccc(cc1Br)[*:1]
Cc1ccc(CC(=O)[O-])cc1Br O=C([O-])[*:1] Cc1ccc(cc1Br)C[*:1]
COc1ccc(NC(=O)CSc2nnc(C[NH+]3CCOCC3)n2C)cc1 COc1ccc(cc1)[*:1] Cn1c(C[NH+]2CCOCC2)nnc1SCC(=O)N[*:1]
CC/[NH+]=C(/NC[C@@H]1CCC[C@H]1O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC/[NH+]=C(/NC[C@@H]1CCC[C@H]1O)N1CCN(CC1)[*:1]
N#C/C(=C\[C@H]1C=NN=C1c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#C/C(=C\[C@H]1C=NN=C1c1ccc(F)cc1)C(=O)N[*:1]
N#C/C(=C\[C@H]1C=NN=C1c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] N#C/C(=C\[C@H]1C=NN=C1[*:1])C(=O)Nc1ccc(Cl)cc1
CN1C(=O)c2ccccc2N[C@]1(C)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] CN1C(=O)c2ccccc2N[C@]1(C)c1ccc(cc1)OC[*:1]
CN1C(=O)c2ccccc2N[C@]1(C)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CN1C(=O)c2ccccc2N[C@]1(C)c1ccc(cc1)O[*:1]
CN1C(=O)c2ccccc2N[C@]1(C)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] CN1C(=O)c2ccccc2N[C@]1(C)c1ccc(cc1)[*:1]
COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 COC[C@@H](C)NC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] COC[C@@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 COC[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C)[*:1]
COC(=O)C[C@H](NC(=O)c1cc(F)ccc1O)c1ccccc1 COC(=O)C[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1cc(F)ccc1O
COC(=O)C[C@H](NC(=O)c1cc(F)ccc1O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C[C@H](NC(=O)c1cc(F)ccc1O)[*:1]
COC(=O)C[C@H](NC(=O)c1cc(F)ccc1O)c1ccccc1 COC(=O)[*:1] O=C(N[C@@H](C[*:1])c1ccccc1)c1cc(F)ccc1O
CNS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 FC(F)(F)[*:1] CNS(=O)(=O)c1ccc(cc1)Oc1ncc(cc1Cl)[*:1]
CNS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 CNS(=O)(=O)[*:1] FC(F)(F)c1cnc(Oc2ccc(cc2)[*:1])c(Cl)c1
O=C(c1cc(-c2ccc(O)cc2)nc2ccccc12)N1CCC1 O=C(N1CCC1)[*:1] Oc1ccc(cc1)-c1cc(c2ccccc2n1)[*:1]
O=C(c1cc(-c2ccc(O)cc2)nc2ccccc12)N1CCC1 Oc1ccc(cc1)[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCC1
O=C(c1c(F)cccc1F)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 O=[N+]([O-])[*:1] O=C(c1c(F)cccc1F)N1CCN(CC1)c1ccc2cc(ccc2n1)[*:1]
O=C(c1c(F)cccc1F)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 Fc1cccc(F)c1[*:1] O=C(N1CCN(CC1)c1ccc2cc(ccc2n1)[N+](=O)[O-])[*:1]
C[NH+](Cc1noc(Cc2ccc(Br)cc2)n1)C1CCC1 C1CC(C1)[*:1] C[NH+](Cc1noc(Cc2ccc(Br)cc2)n1)[*:1]
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccc(F)cc1
Cc1cc(NC(=O)C(=O)N2CC[C@H]3CCCC[C@@H]32)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[*:1])C(=O)N1CC[C@H]2CCCC[C@@H]21
CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCn2c(nn(C)c2=O)C1 COc1ccc(cc1)[*:1] CC[C@H](C(=O)N[*:1])N1CCn2c(C1)nn(C)c2=O
CCN(Cc1nc(C(C)(C)C)cs1)c1cccc(N)c1 CC(C)(C)[*:1] CCN(Cc1nc(cs1)[*:1])c1cccc(N)c1
CC[C@@H]1C(/C([O-])=N/c2nc(-c3ccc(OC)cc3)n[nH]2)=CNN1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1C(=CNN1[*:1])/C([O-])=N/c1nc(n[nH]1)-c1ccc(cc1)OC
CC[C@@H]1C(/C([O-])=N/c2nc(-c3ccc(OC)cc3)n[nH]2)=CNN1c1ccccc1 COc1ccc(cc1)[*:1] CC[C@@H]1C(=CNN1c1ccccc1)/C([O-])=N/c1nc(n[nH]1)[*:1]
O=[N+]([O-])c1ccc(Br)cc1CN1CCC(OC[C@H]2CCCO2)CC1 O=[N+]([O-])[*:1] Brc1ccc(c(c1)CN1CCC(CC1)OC[C@H]1CCCO1)[*:1]
O=[N+]([O-])c1ccc(Br)cc1CN1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] O=[N+]([O-])c1ccc(Br)cc1CN1CCC(CC1)OC[*:1]
O=[N+]([O-])c1ccc(Br)cc1CN1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)CO[*:1] O=[N+]([O-])c1ccc(Br)cc1CN1CCC(CC1)[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(C)ccc1OC CCC[*:1] COc1ccc(C)cc1NC(=O)[C@H]1CSCN1C(=O)C[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(C)ccc1OC CCCC[*:1] COc1ccc(C)cc1NC(=O)[C@H]1CSCN1C(=O)[*:1]
CC(C)CCN1C(=O)C2=C3CCCC[C@H]3SC2=N[C@@H]1SCC(=O)[C@@H]1C=CC=N1 CC(C)[*:1] O=C(CS[C@H]1N=C2S[C@@H]3CCCCC3=C2C(=O)N1CC[*:1])[C@@H]1C=CC=N1
CC(C)CCN1C(=O)C2=C3CCCC[C@H]3SC2=N[C@@H]1SCC(=O)[C@@H]1C=CC=N1 CC(C)CC[*:1] O=C(CS[C@H]1N=C2S[C@@H]3CCCCC3=C2C(=O)N1[*:1])[C@@H]1C=CC=N1
CC(C)CCN1C(=O)C2=C3CCCC[C@H]3SC2=N[C@@H]1SCC(=O)[C@@H]1C=CC=N1 CC(C)C[*:1] O=C(CS[C@H]1N=C2S[C@@H]3CCCCC3=C2C(=O)N1C[*:1])[C@@H]1C=CC=N1
O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] O=C(c1ccccc1Cl)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 Clc1ccccc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Br)s1)[*:1]
CCc1noc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2c2cnn(CC)c2)n1 CCn1cc(cn1)[*:1] CCc1noc(n1)[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1[*:1]
CCc1noc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2c2cnn(CC)c2)n1 CCc1noc(n1)[*:1] CCn1cc(cn1)[C@H]1OCC[C@H]1C[NH2+][C@@H](C)[*:1]
CSc1ncccc1C(=O)N1C[C@@H](C[NH+]2CCCC2)C[C@@H](CO)C1 CSc1ncccc1[*:1] O=C(N1C[C@H](C[C@@H](CO)C1)C[NH+]1CCCC1)[*:1]
CC[C@@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)C(C)C CC(C)[*:1] CC[C@@H]([NH2+][C@@H]1COc2cc(ccc2C1)OC)[*:1]
CN(NC(=O)c1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(NC(=O)c1ccc(Cl)cc1)[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 Cc1cc(C)cc(c1)O[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)C[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 Cc1cc(C)cc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)CO[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 CC(C)C(=O)N[*:1] Cc1cc(C)cc(c1)OCC(=O)NNC(=O)c1ccc(cc1)[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 CC(C)[*:1] Cc1cc(C)cc(c1)OCC(=O)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccn2c(CC(=O)[O-])nnc2c1 O=C([O-])C[*:1] Cc1ccn2c(nnc2c1)[*:1]
Cc1ccn2c(CC(=O)[O-])nnc2c1 O=C([O-])[*:1] Cc1ccn2c(C[*:1])nnc2c1
O=C(NC(CO)CO)[C@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 OCC(CO)[*:1] O=C(N[*:1])[C@H]1CC[C@H]2CCCC[C@H]2[NH2+]1
CCCc1cncnc1N1CCC[C@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 CCC[*:1] C[NH+](C)CCN1C[C@@]2(CCCN(C2)c2ncncc2[*:1])CCC1=O
O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1cccc2ccccc12 c1coc(c1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1cccc2ccccc12
CCCn1c(N)c(N(CCOC)C(=O)c2sccc2C)c(=O)[nH]c1=O Cc1ccsc1[*:1] CCCn1c(N)c(c(=O)[nH]c1=O)N(CCOC)C(=O)[*:1]
CCCn1c(N)c(N(CCOC)C(=O)c2sccc2C)c(=O)[nH]c1=O COCC[*:1] CCCn1c(N)c(c(=O)[nH]c1=O)N(C(=O)c1sccc1C)[*:1]
CCCn1c(N)c(N(CCOC)C(=O)c2sccc2C)c(=O)[nH]c1=O COC[*:1] CCCn1c(N)c(c(=O)[nH]c1=O)N(C[*:1])C(=O)c1sccc1C
CCCn1c(N)c(N(CCOC)C(=O)c2sccc2C)c(=O)[nH]c1=O CCC[*:1] COCCN(C(=O)c1sccc1C)c1c(N)n(c(=O)[nH]c1=O)[*:1]
C=CCn1c(S[C@@H](C(=O)N2CCOCC2)C(C)C)nnc1C1CC1 O=C(N1CCOCC1)[*:1] C=CCn1c(nnc1C1CC1)S[C@@H](C(C)C)[*:1]
C=CCn1c(S[C@@H](C(=O)N2CCOCC2)C(C)C)nnc1C1CC1 C1CC1[*:1] C=CCn1c(nnc1[*:1])S[C@@H](C(=O)N1CCOCC1)C(C)C
C=CCn1c(S[C@@H](C(=O)N2CCOCC2)C(C)C)nnc1C1CC1 C=CC[*:1] CC(C)[C@@H](Sc1nnc(C2CC2)n1[*:1])C(=O)N1CCOCC1
C=CCn1c(S[C@@H](C(=O)N2CCOCC2)C(C)C)nnc1C1CC1 CC(C)[*:1] C=CCn1c(nnc1C1CC1)S[C@@H](C(=O)N1CCOCC1)[*:1]
C=C(C)CC(=O)Cc1ccc(OC)nc1 C=C(C)C[*:1] COc1ccc(cn1)CC(=O)[*:1]
C=C(C)CC(=O)Cc1ccc(OC)nc1 C=C(C)[*:1] COc1ccc(cn1)CC(=O)C[*:1]
C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)CO[*:1] C[C@@H](Nc1nccc(n1)C(F)(F)F)c1ccc(cc1)[*:1]
C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] C[C@@H](Nc1nccc(n1)C(F)(F)F)c1ccc(cc1)O[*:1]
C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccc(OCc2cccnc2)cc1 FC(F)(F)[*:1] C[C@@H](Nc1nccc(n1)[*:1])c1ccc(cc1)OCc1cccnc1
C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] C[C@@H](Nc1nccc(n1)C(F)(F)F)c1ccc(cc1)OC[*:1]
CCN1C(=O)C[C@@H](n2nc(-c3cccc(F)c3)n(-c3ccc(Cl)cc3)c2=S)C1=O Fc1cccc(c1)[*:1] CCN1C(=O)C[C@H](C1=O)n1nc(n(-c2ccc(Cl)cc2)c1=S)[*:1]
CCN1C(=O)C[C@@H](n2nc(-c3cccc(F)c3)n(-c3ccc(Cl)cc3)c2=S)C1=O Clc1ccc(cc1)[*:1] CCN1C(=O)C[C@H](C1=O)n1nc(-c2cccc(F)c2)n(c1=S)[*:1]
CC(=O)c1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1 CC(=O)[*:1] O=C(NCc1ccc(F)c(Cl)c1)c1ccc(cc1)[*:1]
COC(=O)CCN(C)S(=O)(=O)c1ccccc1Br COC(=O)[*:1] CN(CC[*:1])S(=O)(=O)c1ccccc1Br
COC(=O)CCN(C)S(=O)(=O)c1ccccc1Br COC(=O)CC[*:1] CN(S(=O)(=O)c1ccccc1Br)[*:1]
COC(=O)CCN(C)S(=O)(=O)c1ccccc1Br COC(=O)C[*:1] CN(C[*:1])S(=O)(=O)c1ccccc1Br
Cc1cc(C)n(-c2ccc(N[C@@H]3c4ccccc4C[C@@H]3O)nn2)n1 Cc1cc(C)n(n1)[*:1] O[C@H]1Cc2ccccc2[C@H]1Nc1ccc(nn1)[*:1]
CC(C)(C)C(=O)NNC(=O)Cc1csc(-c2ccccn2)n1 CC(C)(C)[*:1] O=C(Cc1csc(n1)-c1ccccn1)NNC(=O)[*:1]
CC(C)(C)C(=O)NNC(=O)Cc1csc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CC(C)(C)C(=O)NNC(=O)Cc1csc(n1)[*:1]
Cc1ccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)Nc2cccc(C(F)(F)F)c2)cc1C Cc1ccc(cc1C)[*:1] O=C(C[C@H]1CSc2nc3c(cnn3[*:1])c(=O)n21)Nc1cccc(c1)C(F)(F)F
Cc1ccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)Nc2cccc(C(F)(F)F)c2)cc1C FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)N[*:1]
Cc1ccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)Nc2cccc(C(F)(F)F)c2)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)Nc1cccc(c1)[*:1]
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)C=C[*:1])C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C
CC[C@H]1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)C1 c1ncn(n1)[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
O=C(Cc1ccc(F)cc1)NCCNC(=O)c1[nH]nc2c1COCC2 Fc1ccc(cc1)C[*:1] O=C(NCCNC(=O)[*:1])c1[nH]nc2CCOCc21
O=C(Cc1ccc(F)cc1)NCCNC(=O)c1[nH]nc2c1COCC2 Fc1ccc(cc1)[*:1] O=C(C[*:1])NCCNC(=O)c1[nH]nc2CCOCc21
O=C(NCCCF)c1cnn2cc(Br)cnc12 FCC[*:1] O=C(NC[*:1])c1cnn2cc(Br)cnc12
O=C(NCCCF)c1cnn2cc(Br)cnc12 FCCC[*:1] O=C(N[*:1])c1cnn2cc(Br)cnc12
CCNC(=O)C[NH+]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 CCNC(=O)[*:1] O=C(/C=C/c1ccc(Br)cc1)N1CCC[NH+](CC1)C[*:1]
CCNC(=O)C[NH+]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] CCNC(=O)C[NH+]1CCCN(CC1)C(=O)C=C[*:1]
CCNC(=O)C[NH+]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 CCNC(=O)C[*:1] O=C(/C=C/c1ccc(Br)cc1)N1CCC[NH+](CC1)[*:1]
CC/N=c1/scc(-c2ccccc2)n1/N=C/c1ccccn1 c1ccc(cc1)[*:1] CC/N=c1/scc(n1/N=C/c1ccccn1)[*:1]
CC/N=c1/scc(-c2ccccc2)n1/N=C/c1ccccn1 c1ccc(nc1)[*:1] CC/N=c1/scc(-c2ccccc2)n1N=C[*:1]
COC(=O)NCCOC(=O)c1ccc(C(F)(F)F)nc1 COC(=O)NC[*:1] O=C(OC[*:1])c1ccc(nc1)C(F)(F)F
COC(=O)NCCOC(=O)c1ccc(C(F)(F)F)nc1 COC(=O)N[*:1] O=C(OCC[*:1])c1ccc(nc1)C(F)(F)F
COC(=O)NCCOC(=O)c1ccc(C(F)(F)F)nc1 FC(F)(F)[*:1] COC(=O)NCCOC(=O)c1ccc(nc1)[*:1]
CC[C@H](C)C(=O)NCC(=O)N1CCN(c2ccccc2Cl)CC1 CC[C@H](C)C(=O)N[*:1] O=C(C[*:1])N1CCN(CC1)c1ccccc1Cl
CC[C@H](C)C(=O)NCC(=O)N1CCN(c2ccccc2Cl)CC1 CC[C@H](C)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1ccccc1Cl
CC[C@H](C)C(=O)NCC(=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC[C@H](C)C(=O)NCC(=O)N1CCN(CC1)[*:1]
Cc1c(CC(=O)N[C@@H](C)CO)c2c(n1Cc1ccc(F)cc1)CCCC2=O Fc1ccc(cc1)C[*:1] Cc1c(CC(=O)N[C@@H](C)CO)c2C(=O)CCCc2n1[*:1]
Cc1c(CC(=O)N[C@@H](C)CO)c2c(n1Cc1ccc(F)cc1)CCCC2=O Fc1ccc(cc1)[*:1] Cc1c(CC(=O)N[C@@H](C)CO)c2C(=O)CCCc2n1C[*:1]
CC(C)c1c(CCl)cnn1-c1ccc(Cl)c(Cl)c1 CC(C)[*:1] ClCc1cnn(-c2ccc(Cl)c(Cl)c2)c1[*:1]
COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccc(-c3ncn[nH]3)cc1)C2 c1n[nH]c(n1)[*:1] COC(=O)c1cc2CN(CCCn2n1)C(=O)c1ccc(cc1)[*:1]
COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccc(-c3ncn[nH]3)cc1)C2 COC(=O)[*:1] O=C(c1ccc(cc1)-c1ncn[nH]1)N1CCCn2nc(cc2C1)[*:1]
C=C1C=C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@H]3[C@H]12 CC=C(C)[*:1] C=C1C=C[C@@H](OC(=O)[*:1])[C@@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@H]3[C@H]12
C=C1C=C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@H]3[C@H]12 C/C=C(\C)C(=O)O[*:1] C=C1C=C[C@@H]([C@@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@H]3[C@H]12)[*:1]
O=C(NC1CCCCCCC1)c1cn(C[C@H]2CCCO2)cc(C(=O)N2CCCCC2)c1=O O=C(N1CCCCC1)[*:1] O=C(NC1CCCCCCC1)c1cn(cc(c1=O)[*:1])C[C@H]1CCCO1
O=C(NC1CCCCCCC1)c1cn(C[C@H]2CCCO2)cc(C(=O)N2CCCCC2)c1=O C1CCCC(CCC1)[*:1] O=C(N[*:1])c1cn(cc(C(=O)N2CCCCC2)c1=O)C[C@H]1CCCO1
CC[NH2+][C@@H]1CCC[C@@H](N(C)CCC(F)(F)F)C1 FC(F)(F)C[*:1] CC[NH2+][C@@H]1CCC[C@H](C1)N(C)C[*:1]
CC[NH2+][C@@H]1CCC[C@@H](N(C)CCC(F)(F)F)C1 FC(F)(F)[*:1] CC[NH2+][C@@H]1CCC[C@H](C1)N(C)CC[*:1]
Cc1ccc(CN(C)C(=O)[C@H]2C=C(Cn3ccc4ccccc43)N=N2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)[C@H]1C=C(Cn2ccc3ccccc32)N=N1
Cc1ccc(CN(C)C(=O)[C@H]2C=C(Cn3ccc4ccccc43)N=N2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)[C@H]1C=C(Cn2ccc3ccccc32)N=N1)[*:1]
O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] O=S(=O)(Nc1cccc(c1)-n1cnnn1)c1cc(ccc1Cl)[*:1]
O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cc(C(F)(F)F)ccc1Cl c1nnnn1[*:1] O=S(=O)(Nc1cccc(c1)[*:1])c1cc(ccc1Cl)C(F)(F)F
COc1ccc(-c2n[nH]c(/N=C(\[O-])[C@@H](C)OCC(F)(F)F)n2)cc1 FC(F)(F)CO[*:1] COc1ccc(cc1)-c1n[nH]c(/N=C(\[O-])[C@@H](C)[*:1])n1
COc1ccc(-c2n[nH]c(/N=C(\[O-])[C@@H](C)OCC(F)(F)F)n2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1n[nH]c(/N=C(\[O-])[C@@H](C)OC[*:1])n1
COc1ccc(-c2n[nH]c(/N=C(\[O-])[C@@H](C)OCC(F)(F)F)n2)cc1 COc1ccc(cc1)[*:1] C[C@@H](OCC(F)(F)F)/C([O-])=N/c1nc(n[nH]1)[*:1]
COc1ccc(-c2n[nH]c(/N=C(\[O-])[C@@H](C)OCC(F)(F)F)n2)cc1 FC(F)(F)C[*:1] COc1ccc(cc1)-c1n[nH]c(/N=C(\[O-])[C@@H](C)O[*:1])n1
Cc1ccc(-n2cc(S(=O)(=O)N3C[C@H](C)OCC3(C)C)cn2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CN(C(C)(C)CO1)S(=O)(=O)c1cnn(c1)[*:1]
O=C(c1cc(-c2csc(-c3cccc(Cl)c3)n2)c[nH]1)N1CCCC1 Clc1cccc(c1)[*:1] O=C(c1cc(c[nH]1)-c1csc(n1)[*:1])N1CCCC1
O=C(c1cc(-c2csc(-c3cccc(Cl)c3)n2)c[nH]1)N1CCCC1 O=C(N1CCCC1)[*:1] Clc1cccc(c1)-c1nc(cs1)-c1c[nH]c(c1)[*:1]
COc1ccc(C)cc1NC(=O)CSc1nnc([C@H]2CCCN2C(=O)c2cccc(C)c2)n1C COc1ccc(C)cc1[*:1] Cc1cccc(c1)C(=O)N1CCC[C@@H]1c1nnc(SCC(=O)N[*:1])n1C
COc1ccc(C)cc1NC(=O)CSc1nnc([C@H]2CCCN2C(=O)c2cccc(C)c2)n1C Cc1cccc(c1)[*:1] COc1ccc(C)cc1NC(=O)CSc1nnc([C@H]2CCCN2C(=O)[*:1])n1C
Cc1ccccc1C1(C(=O)NC(C)C)CCOCC1 CC(C)[*:1] Cc1ccccc1C1(CCOCC1)C(=O)N[*:1]
Cc1ccccc1C1(C(=O)NC(C)C)CCOCC1 CC(C)NC(=O)[*:1] Cc1ccccc1C1(CCOCC1)[*:1]
CS(=O)(=O)[C@H]1CC[C@@H](OC(=O)c2ccco2)C1 CS(=O)(=O)[*:1] O=C(O[C@@H]1CC[C@@H](C1)[*:1])c1ccco1
CS(=O)(=O)[C@H]1CC[C@@H](OC(=O)c2ccco2)C1 c1coc(c1)[*:1] CS(=O)(=O)[C@H]1CC[C@H](C1)OC(=O)[*:1]
C[C@H](NC(=O)Cn1ccc2ccccc21)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H](NC(=O)Cn1ccc2ccccc21)c1ccc(cc1)[*:1]
C[C@H](NC(=O)Cn1ccc2ccccc21)c1ccc(-c2cncnc2)cc1 c1ccc2c(c1)ccn2[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1cncnc1
Cc1ccc2nc(CC(=O)c3ccoc3C)[nH]c(=O)c2c1 Cc1occc1[*:1] Cc1ccc2nc(CC(=O)[*:1])[nH]c(=O)c2c1
CCOC(=O)c1ccc(NC(=O)[C@H](C)N2CCC([NH+]3CCCC3)CC2)cc1 CCOC(=O)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])N1CCC(CC1)[NH+]1CCCC1
CSc1ccc2nc(N(Cc3ccco3)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2c1 c1coc(c1)[*:1] CSc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
CSc1ccc2nc(N(Cc3ccco3)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2c1 O=[N+]([O-])[*:1] CSc1ccc2nc(sc2c1)N(Cc1ccco1)C(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CSc1ccc2nc(N(Cc3ccco3)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2c1 c1coc(c1)C[*:1] CSc1ccc2nc(sc2c1)N(C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[*:1]
Cc1cc(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCC[C@@H](C1)C(=O)[*:1]
Cc1cc(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CCC[C@@H](C1)C(=O)c1ccc(F)cc1
Cc1cc(=O)n(CC[C@@H](C)CCBr)cc1[N+](=O)[O-] C[C@@H](CCBr)[*:1] Cc1cc(=O)n(cc1[N+](=O)[O-])CC[*:1]
Cc1cc(=O)n(CC[C@@H](C)CCBr)cc1[N+](=O)[O-] C[C@@H](CCBr)C[*:1] Cc1cc(=O)n(cc1[N+](=O)[O-])C[*:1]
Cc1cc(=O)n(CC[C@@H](C)CCBr)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(=O)n(cc1[*:1])CC[C@@H](C)CCBr
Cc1cc(=O)n(CC[C@@H](C)CCBr)cc1[N+](=O)[O-] BrCC[*:1] Cc1cc(=O)n(cc1[N+](=O)[O-])CC[C@@H](C)[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H](C)c2ccccc2)CC1=O C[C@H](c1ccccc1)[*:1] COc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)N[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H](C)c2ccccc2)CC1=O c1ccc(cc1)[*:1] COc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)N[C@H](C)[*:1]
CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1c1ccccc1 O=[N+]([O-])[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)Cn1cc(ccc1=O)[*:1]
CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@H]1[*:1])C(=O)Cn1cc(ccc1=O)[N+](=O)[O-]
CC(C)C[NH2+]C[C@@]1(c2ccc(Cl)cc2)CCC[C@@H]1C CC(C)[*:1] C[C@H]1CCC[C@@]1(C[NH2+]C[*:1])c1ccc(Cl)cc1
CC(C)C[NH2+]C[C@@]1(c2ccc(Cl)cc2)CCC[C@@H]1C CC(C)C[*:1] C[C@H]1CCC[C@@]1(C[NH2+][*:1])c1ccc(Cl)cc1
O=C(Cc1cc([O-])nc(SCc2ccccc2)n1)Nc1cccnc1 c1ccc(cc1)[*:1] O=C(Cc1cc([O-])nc(n1)SC[*:1])Nc1cccnc1
O=C(Cc1cc([O-])nc(SCc2ccccc2)n1)Nc1cccnc1 c1ccc(cc1)CS[*:1] O=C(Cc1cc([O-])nc(n1)[*:1])Nc1cccnc1
O=C(Cc1cc([O-])nc(SCc2ccccc2)n1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(Cc1cc([O-])nc(n1)SCc1ccccc1)N[*:1]
O=C(Cc1cc([O-])nc(SCc2ccccc2)n1)Nc1cccnc1 c1ccc(cc1)C[*:1] O=C(Cc1cc([O-])nc(n1)S[*:1])Nc1cccnc1
COc1ccc(C)cc1[C@H](C)NC(=O)N[C@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] COc1ccc(C)cc1[C@H](C)NC(=O)N[C@H](C)[*:1]
C[C@@H](O)c1cccn1Cc1cc(Br)ccc1F C[C@@H](O)[*:1] Fc1ccc(Br)cc1Cn1cccc1[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCCCC3)nc(N)c1[C@@H]2c1ccccc1 C1CCN(CC1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc(nc(N)c1[C@@H]2c1ccccc1)[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCCCC3)nc(N)c1[C@@H]2c1ccccc1 c1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc(nc(N)c1[C@H]2[*:1])N1CCCCC1
COc1cc(N)ccc1SCC(=O)N[C@H](C)c1ccco1 C[C@H](c1ccco1)[*:1] COc1cc(N)ccc1SCC(=O)N[*:1]
COc1cc(N)ccc1SCC(=O)N[C@H](C)c1ccco1 c1coc(c1)[*:1] COc1cc(N)ccc1SCC(=O)N[C@H](C)[*:1]
C[C@@H](Cc1cc(C(=O)NCc2cccc(F)c2)on1)c1ccccc1 Fc1cccc(c1)[*:1] C[C@@H](Cc1cc(on1)C(=O)NC[*:1])c1ccccc1
C[C@@H](Cc1cc(C(=O)NCc2cccc(F)c2)on1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1cc(on1)C(=O)NCc1cccc(F)c1)[*:1]
C[C@@H](Cc1cc(C(=O)NCc2cccc(F)c2)on1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NCc1cccc(F)c1)c1cc(C[*:1])no1
C[C@@H](Cc1cc(C(=O)NCc2cccc(F)c2)on1)c1ccccc1 Fc1cccc(c1)C[*:1] C[C@@H](Cc1cc(on1)C(=O)N[*:1])c1ccccc1
Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(C)on1)CC2 Cc1cc(no1)[*:1] Cc1nc2CC[C@H](Cn2n1)[NH2+][C@@H](C)C(=O)N[*:1]
Cc1noc(C)c1-c1n[nH]c2c1CN(S(=O)(=O)c1ccsc1)CC2 Cc1noc(C)c1[*:1] O=S(=O)(c1ccsc1)N1CCc2[nH]nc(c2C1)[*:1]
Cc1noc(C)c1-c1n[nH]c2c1CN(S(=O)(=O)c1ccsc1)CC2 c1cc(cs1)[*:1] Cc1noc(C)c1-c1n[nH]c2CCN(Cc12)S(=O)(=O)[*:1]
CCOC(=O)c1c(NC(=O)c2cc3cccc(OC)c3oc2=O)sc(C)c1C CCOC(=O)[*:1] COc1cccc2cc(C(=O)Nc3sc(C)c(C)c3[*:1])c(=O)oc12
CC[C@H]([NH2+]Cc1cnn(C)c1C)c1cccs1 c1csc(c1)[*:1] CC[C@H]([NH2+]Cc1cnn(C)c1C)[*:1]
COC(=O)C[C@H]1SC(=O)N=C1Nc1ccc(Cl)cc1 COC(=O)C[*:1] O=C1N=C(Nc2ccc(Cl)cc2)[C@H](S1)[*:1]
COC(=O)C[C@H]1SC(=O)N=C1Nc1ccc(Cl)cc1 COC(=O)[*:1] O=C1N=C(Nc2ccc(Cl)cc2)[C@@H](C[*:1])S1
C[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1F Fc1ccccc1[*:1] C[C@H]([NH2+][C@H](C)c1ccc2OCCOc2c1)[*:1]
O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc12 c1cc2OCCOc2cc1[*:1] O=c1c(coc2cc(ccc12)O[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[*:1]
O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NCCCCn1cnnc1 c1nncn1CC[*:1] O=C(/C=C/c1cc(Cl)c2OCCOc2c1)NCC[*:1]
O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NCCCCn1cnnc1 c1nncn1C[*:1] O=C(/C=C/c1cc(Cl)c2OCCOc2c1)NCCC[*:1]
O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NCCCCn1cnnc1 c1nncn1[*:1] O=C(/C=C/c1cc(Cl)c2OCCOc2c1)NCCCC[*:1]
O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NCCCCn1cnnc1 c1nncn1CCC[*:1] O=C(/C=C/c1cc(Cl)c2OCCOc2c1)NC[*:1]
O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 c1ccc(cc1)[*:1] O=C(CCc1cnn(c1)[*:1])Nc1cccc(c1)-c1nnc2CCCCCn21
O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 C1CCc2nnc(n2CC1)[*:1] O=C(CCc1cnn(c1)-c1ccccc1)Nc1cccc(c1)[*:1]
COc1ccc(S(=O)(=O)N2CCN(Cc3cn4ccsc4n3)CC2)cc1 c1cn2cc(nc2s1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1]
COc1ccc(S(=O)(=O)N2CCN(Cc3cn4ccsc4n3)CC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)Cc1cn2ccsc2n1)[*:1]
COc1cc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1c1ccc(cc1)C(=O)[O-])[*:1]
COc1cc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O COc1cc(ccc1O)[*:1] O=C([O-])c1ccc(cc1)N1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1[*:1]
COc1cc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O O=C([O-])[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1c1ccc(cc1)[*:1])-c1ccccc1
COc1cc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O O=C([O-])c1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccccc1
Cc1cc(C(=O)N2CCN(c3ncnc4nc(N)ccc34)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] Nc1ccc2c(ncnc2n1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccc2[nH]ccc2c1)N(CC(F)(F)F)C1CCOCC1 FC(F)(F)[*:1] O=C(c1ccc2[nH]ccc2c1)N(C[*:1])C1CCOCC1
O=C(c1ccc2[nH]ccc2c1)N(CC(F)(F)F)C1CCOCC1 FC(F)(F)C[*:1] O=C(c1ccc2[nH]ccc2c1)N(C1CCOCC1)[*:1]
O=C(c1ccc2[nH]ccc2c1)N(CC(F)(F)F)C1CCOCC1 C1CC(CCO1)[*:1] O=C(c1ccc2[nH]ccc2c1)N(CC(F)(F)F)[*:1]
CN(C)C(=O)C1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 C1CCC(C1)[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CN(C)C(=O)C1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 CN(C)C(=O)[*:1] O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)N1CCC(CC1)[*:1]
CN(C)C(=O)C1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 Fc1ccc(cc1)[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)N[C@H](C1CCCC1)[*:1]
N#CCCCC[NH+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 N#CCCCC[*:1] c1ccc2[nH+]c([nH]c2c1)N1CCC[NH+](CC1)[*:1]
N#CCCCC[NH+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 N#CC[*:1] c1ccc2[nH+]c([nH]c2c1)N1CCC[NH+](CCC[*:1])CC1
N#CCCCC[NH+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 N#CCCC[*:1] c1ccc2[nH+]c([nH]c2c1)N1CCC[NH+](CC1)C[*:1]
N#CCCCC[NH+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 N#CCC[*:1] c1ccc2[nH+]c([nH]c2c1)N1CCC[NH+](CC1)CC[*:1]
COc1cccc(C[C@@H](C)NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)c1 CC(C)(C)[*:1] COc1cccc(c1)C[C@@H](C)NC(=O)N[C@H](C)c1nc(no1)[*:1]
COc1cccc(C[C@@H](C)NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)c1 COc1cccc(c1)[*:1] C[C@H](C[*:1])NC(=O)N[C@H](C)c1nc(no1)C(C)(C)C
CC[C@H](O)[C@@H](C)[C@@H]1CCCCC[C@@H]1O CC[C@H](O)[*:1] C[C@@H]([C@@H]1CCCCC[C@@H]1O)[*:1]
O=C(Nc1ccc(-c2ncc[nH]2)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 c1c[nH]c(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1
O=C(Nc1ccc(-c2ncc[nH]2)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 c1cc2CCCc2cc1[*:1] O=C(Nc1ccc(cc1)-c1ncc[nH]1)C1CCN(CC1)S(=O)(=O)[*:1]
C=C1C=C([O-])N2C(=NC(NC[C@@H]3CCCO3)=N[C@H]2c2ccc(Cl)cc2)N1 C1CO[C@@H](C1)C[*:1] C=C1C=C([O-])N2C(=NC(=N[C@H]2c2ccc(Cl)cc2)N[*:1])N1
C=C1C=C([O-])N2C(=NC(NC[C@@H]3CCCO3)=N[C@H]2c2ccc(Cl)cc2)N1 C1CO[C@@H](C1)[*:1] C=C1C=C([O-])N2C(=NC(=N[C@H]2c2ccc(Cl)cc2)NC[*:1])N1
C=C1C=C([O-])N2C(=NC(NC[C@@H]3CCCO3)=N[C@H]2c2ccc(Cl)cc2)N1 Clc1ccc(cc1)[*:1] C=C1C=C([O-])N2C(=NC(=N[C@@H]2[*:1])NC[C@@H]2CCCO2)N1
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 CC(C)(C)[*:1] O=C(NCC1(CCCC1)c1ccc(F)cc1)C1CCN(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 Fc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC1(CCCC1)[*:1]
CCN1c2ccccc2-c2nc(SCC(=O)Nc3cccc(C)c3)ncc2S1(=O)=O Cc1cccc(c1)[*:1] CCN1c2ccccc2-c2nc(ncc2S1(=O)=O)SCC(=O)N[*:1]
CCN1c2ccccc2-c2nc(SCC(=O)Nc3cccc(C)c3)ncc2S1(=O)=O Cc1cccc(c1)NC(=O)[*:1] CCN1c2ccccc2-c2nc(ncc2S1(=O)=O)SC[*:1]
Cc1cccc(-n2c(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)nc3sc(C)c(C)c3c2=O)c1 Cc1cccc(c1)[*:1] Cc1sc2nc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)n(c(=O)c2c1C)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N1CCS[C@H](C)[C@H]1C Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)N1CCS[C@H](C)[C@H]1C)[*:1]
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(N)=O)o2)cc1 NC(=O)[*:1] COC(=O)c1ccc(cc1)-c1ccc(C=C(C#N)[*:1])o1
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(N)=O)o2)cc1 N#CC(=C[*:1])C(N)=O COC(=O)c1ccc(cc1)-c1ccc(o1)[*:1]
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(N)=O)o2)cc1 COC(=O)[*:1] N#C/C(=C/c1ccc(o1)-c1ccc(cc1)[*:1])C(N)=O
[NH3+][C@H](Cc1ccc(O)c(F)c1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H](Cc1ccc(O)c(F)c1)[*:1]
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)Nc1ccc(Cl)cc1
CCC[NH+]1CCN(Cc2cccc(NC)[nH+]2)CC1 CCC[*:1] CNc1cccc(CN2CC[NH+](CC2)[*:1])[nH+]1
CC[C@@H](C)S(=O)(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] CC[C@@H](C)S(=O)(=O)N1CCNC(=O)[C@H](Cc2ccccc2[*:1])C1
O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NC(=S)Nc1cccc(c1)NC(=O)c1ccccc1)c1ccc(cc1)[*:1]
O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(NC(=S)Nc1cccc(c1)NC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NC(=S)NC(=O)[*:1])c1ccccc1
O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 O=C(N[*:1])c1ccccc1 O=C(NC(=S)Nc1cccc(c1)[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(OCC3CC3)nc2)c1 Cc1cnn(c1)[*:1] O=C(c1ccc(nc1)OCC1CC1)N1CCC[C@@H]1C[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(OCC3CC3)nc2)c1 Cc1cnn(c1)C[*:1] O=C(c1ccc(nc1)OCC1CC1)N1CCC[C@@H]1[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(OCC3CC3)nc2)c1 C1CC1CO[*:1] Cc1cnn(c1)C[C@H]1CCCN1C(=O)c1ccc(nc1)[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(OCC3CC3)nc2)c1 C1CC1[*:1] Cc1cnn(c1)C[C@H]1CCCN1C(=O)c1ccc(nc1)OC[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(OCC3CC3)nc2)c1 C1CC1C[*:1] Cc1cnn(c1)C[C@H]1CCCN1C(=O)c1ccc(nc1)O[*:1]
CC[NH+](CC)Cc1cnc2c(C(=O)Nc3c(C)cc(=O)[nH]c3C)cnn2c1 Cc1cc(=O)[nH]c(C)c1[*:1] CC[NH+](CC)Cc1cnc2c(cnn2c1)C(=O)N[*:1]
Cc1cc(C)nc(NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)n1 Cc1ccc(cc1C)[*:1] Cc1cc(C)nc(n1)NNC(=O)CCNS(=O)(=O)[*:1]
Cc1cc(C)nc(NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)n1 Cc1cc(C)nc(n1)[*:1] Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)NN[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)[C@H]1CCCN(C1)S(C)(=O)=O
C[C@H](Cc1cccs1)N(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
ClCCCSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] ClCCCSc1nnc(n1C1CC1)[*:1]
ClCCCSc1nnc(C2CC2)n1C1CC1 ClCC[*:1] C1CC1c1nnc(SC[*:1])n1C1CC1
ClCCCSc1nnc(C2CC2)n1C1CC1 ClCCC[*:1] C1CC1c1nnc(S[*:1])n1C1CC1
ClCCCSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] ClCCCSc1nnc(C2CC2)n1[*:1]
ClCCCSc1nnc(C2CC2)n1C1CC1 ClCCCS[*:1] C1CC1c1nnc(n1C1CC1)[*:1]
CC(=O)c1cccc(OC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)OC(=O)Cn1nc(ccc1=O)[*:1]
CC(=O)c1cccc(OC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 CC(=O)[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1)Oc1cccc(c1)[*:1]
Cc1cc(=O)c(C(=O)Nc2cnc(C(C)(C)C)nc2)c[nH]1 CC(C)(C)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)Nc1cnc(nc1)[*:1]
CCC[NH+]1CCCN(S(=O)(=O)c2cncc(F)c2)CC1 CCC[*:1] O=S(=O)(c1cncc(F)c1)N1CCC[NH+](CC1)[*:1]
CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 CC[C@@H](C)NC(=O)[*:1] O=S(=O)(c1ccccc1F)N1CCC(CC1)[*:1]
CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 CC[C@@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1F
CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CC[C@@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCc1nncn1CCNC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C CCc1nncn1[*:1] COc1ccc(cc1)[C@H]1C[C@H](C)N(C1)C(=O)NCC[*:1]
CCc1nncn1CCNC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C CCc1nncn1C[*:1] COc1ccc(cc1)[C@H]1C[C@H](C)N(C1)C(=O)NC[*:1]
CCc1nncn1CCNC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C COc1ccc(cc1)[*:1] CCc1nncn1CCNC(=O)N1C[C@@H](C[C@@H]1C)[*:1]
CC1CC[NH+](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 Fc1ccc(cc1)[*:1] CC1CC[NH+](CC1)C1CCN(CC1)S(=O)(=O)[*:1]
CCNC(=O)c1cccc(-c2ccc(Cl)c(C(=O)[O-])c2)c1 CCNC(=O)[*:1] O=C([O-])c1cc(ccc1Cl)-c1cccc(c1)[*:1]
CCNC(=O)c1cccc(-c2ccc(Cl)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] CCNC(=O)c1cccc(c1)-c1ccc(Cl)c(c1)[*:1]
O=C([O-])[C@H]1C=C[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)C1 O=[N+]([O-])[*:1] O=C([O-])[C@H]1C=C[C@@H](C1)Nc1ccc(cc1C(F)F)[*:1]
O=C([O-])[C@H]1C=C[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)C1 FC(F)[*:1] O=C([O-])[C@H]1C=C[C@@H](C1)Nc1ccc(cc1[*:1])[N+](=O)[O-]
O=C([O-])[C@H]1C=C[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)C1 O=C([O-])[*:1] O=[N+]([O-])c1ccc(N[C@H]2C=C[C@@H](C2)[*:1])c(c1)C(F)F
COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 c1c(noc1C1CC1)[*:1] COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C1)C(=O)[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 COCC[*:1] O=C(N[*:1])c1sc2ccccc2c1[C@@H]1CCN(C1)C(=O)c1cc(on1)C1CC1
COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 COC[*:1] O=C(NC[*:1])c1sc2ccccc2c1[C@@H]1CCN(C1)C(=O)c1cc(on1)C1CC1
COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 COCCNC(=O)[*:1] O=C(c1cc(on1)C1CC1)N1CC[C@H](C1)c1c(sc2ccccc12)[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 C1CC1[*:1] COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C1)C(=O)c1cc(on1)[*:1]
CC(=O)Nc1ccc(-n2nnnc2SCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 CC(=O)N[*:1] O=C(CSc1nnnn1-c1ccc(cc1)[*:1])N(C1CCCCC1)C1CCCCC1
CC(=O)Nc1ccc(-n2nnnc2SCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])N(C1CCCCC1)C1CCCCC1
CC(=O)Nc1ccc(-n2nnnc2SCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(=O)Nc1ccc(cc1)-n1nnnc1SCC(=O)N(C1CCCCC1)[*:1]
Cc1ccc(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1C C1CCC(C1)[*:1] Cc1ccc(cc1C)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
Cc1ccc(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1C Cc1ccc(cc1C)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NC1CCCC1
Cc1ccc(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)Nc1ncnc(NC2CCCC2)c1[*:1]
Cc1ccc(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1C C1CCC(C1)N[*:1] Cc1ccc(cc1C)Nc1ncnc(c1[N+](=O)[O-])[*:1]
Clc1ccc(Cn2c([C@@H]3CCCO3)nc3ccccc32)cc1 Clc1ccc(cc1)[*:1] c1ccc2c(c1)nc([C@@H]1CCCO1)n2C[*:1]
CNC(=O)c1ccc(N2CCC([C@@H](C)O)CC2)nn1 C[C@@H](O)[*:1] CNC(=O)c1ccc(nn1)N1CCC(CC1)[*:1]
CNC(=O)c1ccc(N2CCC([C@@H](C)O)CC2)nn1 CNC(=O)[*:1] C[C@@H](O)C1CCN(CC1)c1ccc(nn1)[*:1]
COc1ccc2cc(/C=C/C(=O)c3ccco3)c(Cl)nc2c1 O=C(c1ccco1)[*:1] COc1ccc2cc(C=C[*:1])c(Cl)nc2c1
COc1ccc2cc(/C=C/C(=O)c3ccco3)c(Cl)nc2c1 c1coc(c1)[*:1] COc1ccc2cc(/C=C/C(=O)[*:1])c(Cl)nc2c1
CC[C@@H](C)c1nc2cc(C(=O)[O-])ccc2n1Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H](C)c1nc2cc(ccc2n1[*:1])C(=O)[O-]
CC[C@@H](C)c1nc2cc(C(=O)[O-])ccc2n1Cc1ccccc1 CC[C@@H](C)[*:1] O=C([O-])c1ccc2c(c1)nc(n2Cc1ccccc1)[*:1]
CC[C@@H](C)c1nc2cc(C(=O)[O-])ccc2n1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)c1nc2cc(ccc2n1C[*:1])C(=O)[O-]
CC[C@@H](C)c1nc2cc(C(=O)[O-])ccc2n1Cc1ccccc1 O=C([O-])[*:1] CC[C@@H](C)c1nc2cc(ccc2n1Cc1ccccc1)[*:1]
Cn1ncc(NCCCCn2cnnc2)c(Br)c1=O c1nncn1[*:1] Cn1ncc(NCCCC[*:1])c(Br)c1=O
Cn1ncc(NCCCCn2cnnc2)c(Br)c1=O c1nncn1C[*:1] Cn1ncc(NCCC[*:1])c(Br)c1=O
COC(=O)c1ccc([C@H]2Nc3c(C(=O)[O-])cccc3[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]23)cc1 O=C([O-])[*:1] COC(=O)c1ccc(cc1)[C@H]1Nc2c(cccc2[*:1])[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12
COC(=O)c1ccc([C@H]2Nc3c(C(=O)[O-])cccc3[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]23)cc1 COC(=O)[*:1] O=C([O-])c1cccc2c1N[C@H](c1ccc(cc1)[*:1])[C@@H]1[C@H]3CC[C@H](C3)[C@H]21
CCOC(=O)[C@H](C)N(C)CC1=Cc2ccccc2OC1 CCOC(=O)[*:1] C[C@H](N(C)CC1=Cc2ccccc2OC1)[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)c2cc(C)nc3onc(C)c23)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1cc(C(=O)NCC(=O)N[*:1])c2c(C)noc2n1
CSc1nc2ccccc2c(NCCc2ccc(C)o2)c1C#N Cc1ccc(o1)[*:1] CSc1nc2ccccc2c(NCC[*:1])c1C#N
CSc1nc2ccccc2c(NCCc2ccc(C)o2)c1C#N Cc1ccc(C[*:1])o1 CSc1nc2ccccc2c(NC[*:1])c1C#N
Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(O)c1)CC(=O)N2 c1ccc2sc(nc2c1)[*:1] Cc1nn(c2NC(=O)C[C@H](c3cccc(O)c3)c12)[*:1]
Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(O)c1)CC(=O)N2 Oc1cccc(c1)[*:1] Cc1nn(-c2nc3ccccc3s2)c2NC(=O)C[C@H](c12)[*:1]
CCc1cccc(NC(=O)NC(C)(C)CO)c1 CC(C)(CO)[*:1] CCc1cccc(c1)NC(=O)N[*:1]
CCc1[nH+]ccn1[C@H]1CCC[C@]([NH3+])(C(=O)OC)C1 COC(=O)[*:1] CCc1[nH+]ccn1[C@H]1CCC[C@]([NH3+])(C1)[*:1]
CCC(CC)[C@@H](C)[NH2+]CC(C)(C)C(=O)[O-] CCC(CC)[*:1] C[C@@H]([NH2+]CC(C)(C)C(=O)[O-])[*:1]
CCC(CC)[C@@H](C)[NH2+]CC(C)(C)C(=O)[O-] O=C([O-])[*:1] CCC(CC)[C@@H](C)[NH2+]CC(C)(C)[*:1]
Cn1ccnc1[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)[*:1]
Cn1ccnc1[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1 Cn1ccnc1[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H](c1ccccc1)[*:1]
COC(=O)[C@@H]1C(=O)C2=C(CC1(C)C)N1CCc3ccccc3[C@@H]1CC2=O COC(=O)[*:1] CC1(C)CC2=C(C(=O)C[C@H]3c4ccccc4CCN23)C(=O)[C@H]1[*:1]
COc1ccc(Cl)cc1Cn1cccc1[C@H](C)O C[C@H](O)[*:1] COc1ccc(Cl)cc1Cn1cccc1[*:1]
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1oc2c(c1C)C(=O)CCC2 COC(=O)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N[C@H]1CCCCC[C@H]1[*:1]
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ncc(C)s1 CCS[*:1] Cc1cnc(CCNC(=O)N[C@H]2CCCC[C@H]2[*:1])s1
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ncc(C)s1 Cc1cnc(s1)[*:1] CCS[C@@H]1CCCC[C@@H]1NC(=O)NCC[*:1]
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ncc(C)s1 Cc1cnc(C[*:1])s1 CCS[C@@H]1CCCC[C@@H]1NC(=O)NC[*:1]
Cc1cc(C)n(C[C@H]2CN(Cc3cc(=O)n(C)c(=O)n3C)CCO2)n1 Cc1cc(C)n(C[*:1])n1 Cn1c(cc(=O)n(C)c1=O)CN1CCO[C@H](C1)[*:1]
Cc1cc(C)n(C[C@H]2CN(Cc3cc(=O)n(C)c(=O)n3C)CCO2)n1 Cc1cc(C)n(n1)[*:1] Cn1c(cc(=O)n(C)c1=O)CN1CCO[C@H](C1)C[*:1]
NC(=O)C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)[O-] O=C([O-])[*:1] NC(=O)C[C@@H](NC(=O)c1ccc(F)cc1)[*:1]
NC(=O)C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)[O-] NC(=O)C[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])c1ccc(F)cc1
NC(=O)C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)[O-] NC(=O)[*:1] O=C(N[C@H](C[*:1])C(=O)[O-])c1ccc(F)cc1
Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCCN3CCOCC3)nc2C1 C1CN(CCO1)C[*:1] Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(nc2C1)NC[*:1]
Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCCN3CCOCC3)nc2C1 C1CN(CCO1)CC[*:1] Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(nc2C1)N[*:1]
Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCCN3CCOCC3)nc2C1 C1CN(CCO1)[*:1] Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(nc2C1)NCC[*:1]
Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCCN3CCOCC3)nc2C1 C(CN1CCOCC1)N[*:1] Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(nc2C1)[*:1]
Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCCN3CCOCC3)nc2C1 Cc1ccccc1[*:1] Cc1nc(nc2C[C@@H](CC(=O)c12)[*:1])NCCN1CCOCC1
CCCNC(=O)CS[C@@H](C)c1cccs1 CCC[*:1] C[C@H](SCC(=O)N[*:1])c1cccs1
CCCNC(=O)CS[C@@H](C)c1cccs1 c1csc(c1)[*:1] CCCNC(=O)CS[C@@H](C)[*:1]
CCOc1nc(N(C)C2CC2)ccc1N CN(C1CC1)[*:1] CCOc1nc(ccc1N)[*:1]
CCOc1nc(N(C)C2CC2)ccc1N CCO[*:1] CN(c1ccc(N)c(n1)[*:1])C1CC1
CCOc1nc(N(C)C2CC2)ccc1N C1CC1[*:1] CCOc1nc(ccc1N)N(C)[*:1]
C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCOC2(CCCC2)C1 Fc1ccc(cc1)[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CCOC2(CCCC2)C1
Cc1cnn(-c2ccc(C(=O)NCc3ccccc3)o2)c1 Cc1cnn(c1)[*:1] O=C(NCc1ccccc1)c1ccc(o1)[*:1]
Cc1cnn(-c2ccc(C(=O)NCc3ccccc3)o2)c1 c1ccc(cc1)C[*:1] Cc1cnn(c1)-c1ccc(o1)C(=O)N[*:1]
Cc1cnn(-c2ccc(C(=O)NCc3ccccc3)o2)c1 c1ccc(cc1)[*:1] Cc1cnn(c1)-c1ccc(o1)C(=O)NC[*:1]
CC(C)c1ccc(OCCN2CC[NH2+]CC2)cc1 CC(C)[*:1] c1cc(ccc1OCCN1CC[NH2+]CC1)[*:1]
O=C([C@H]1NCCc2[nH]c[nH+]c21)N1CCN(c2cccc[nH+]2)CC1 c1ccc([nH+]c1)[*:1] O=C([C@H]1NCCc2[nH]c[nH+]c21)N1CCN(CC1)[*:1]
COc1ccc(NC(=O)c2ccc3c([O-])nc4c(C(=O)NC(C)C)sc(=S)n4c3c2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)NC(=O)c1ccc2c([O-])nc3c(sc(=S)n3c2c1)C(=O)N[*:1]
COc1ccc(NC(=O)c2ccc3c([O-])nc4c(C(=O)NC(C)C)sc(=S)n4c3c2)cc1OC CC(C)NC(=O)[*:1] COc1ccc(cc1OC)NC(=O)c1ccc2c([O-])nc3c(sc(=S)n3c2c1)[*:1]
COc1ccc(NC(=O)c2ccc3c([O-])nc4c(C(=O)NC(C)C)sc(=S)n4c3c2)cc1OC COc1ccc(cc1OC)[*:1] CC(C)NC(=O)c1sc(=S)n2c1nc([O-])c1ccc(cc12)C(=O)N[*:1]
CN(C)c1cccc(C(=O)N(CCS(C)(=O)=O)C2CC2)c1 CS(=O)(=O)CC[*:1] CN(C)c1cccc(c1)C(=O)N(C1CC1)[*:1]
CN(C)c1cccc(C(=O)N(CCS(C)(=O)=O)C2CC2)c1 CS(=O)(=O)[*:1] CN(C)c1cccc(c1)C(=O)N(CC[*:1])C1CC1
CN(C)c1cccc(C(=O)N(CCS(C)(=O)=O)C2CC2)c1 C1CC1[*:1] CN(C)c1cccc(c1)C(=O)N(CCS(C)(=O)=O)[*:1]
CN(C)c1cccc(C(=O)N(CCS(C)(=O)=O)C2CC2)c1 CN(C)[*:1] CS(=O)(=O)CCN(C(=O)c1cccc(c1)[*:1])C1CC1
CN(C)c1cccc(C(=O)N(CCS(C)(=O)=O)C2CC2)c1 CS(=O)(=O)C[*:1] CN(C)c1cccc(c1)C(=O)N(C[*:1])C1CC1
C[C@]12CCC(=O)N1[C@@H](C(=O)NCCCCC1CCCC1)CS2 C1CCC(C1)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)NCCCC[*:1]
C[C@]12CCC(=O)N1[C@@H](C(=O)NCCCCC1CCCC1)CS2 C1CCC(C1)CC[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)NCC[*:1]
C[C@]12CCC(=O)N1[C@@H](C(=O)NCCCCC1CCCC1)CS2 C1CCC(C1)C[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)NCCC[*:1]
C[C@H](CO)NC(=O)N1CCOCC1 C[C@H](CO)[*:1] O=C(N[*:1])N1CCOCC1
O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] O=S(=O)(N1CCC[C@@H]1c1ccc2OCCOc2c1)[*:1]
CCC([NH3+])(CC)C(=O)Nc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCC([NH3+])(CC)C(=O)Nc1ccc(cc1)[*:1]
N#Cc1csc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 N#Cc1csc(c1)[*:1] Fc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C[*:1]
N#Cc1csc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 N#Cc1csc(c1)C[*:1] Fc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)[*:1]
N#Cc1csc(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 Fc1cccc(c1)[*:1] N#Cc1csc(c1)CN1CCC[C@H](C1)c1nc(no1)[*:1]
C[C@@H](C[NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C[NH2+]C1CCN(CC1)C(=O)C1CC1)[*:1]
C[C@@H](C[NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccccc1 C1CC1[*:1] C[C@@H](C[NH2+]C1CCN(CC1)C(=O)[*:1])c1ccccc1
CC[C@@H](C(=O)N[C@@H](C)c1ccccc1N)c1ccccc1 Nc1ccccc1[*:1] CC[C@@H](C(=O)N[C@@H](C)[*:1])c1ccccc1
CC[C@@H](C(=O)N[C@@H](C)c1ccccc1N)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N[C@@H](C)c1ccccc1N)[*:1]
COc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)c(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1ccc(c(c1)O[*:1])[C@@H](C)[NH2+][C@@H]1CCCNC1=O
COc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)c(OCc2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC[*:1])[C@@H](C)[NH2+][C@@H]1CCCNC1=O
COc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)c(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] COc1ccc(c(c1)[*:1])[C@@H](C)[NH2+][C@@H]1CCCNC1=O
C[C@@H](NC(=O)c1ccco1)C(=O)OCc1nc2ccccc2s1 c1coc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)OCc1nc2ccccc2s1
CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1nc2ccccc2n1C[C@@H](O)CO[*:1]
CC(C)[C@H](C)NC(=O)c1cc(Br)c(Br)s1 CC(C)[C@H](C)[*:1] O=C(N[*:1])c1cc(Br)c(Br)s1
CC(C)[C@H](C)NC(=O)c1cc(Br)c(Br)s1 CC(C)[*:1] C[C@H](NC(=O)c1cc(Br)c(Br)s1)[*:1]
CSc1nnc(C2CC[NH2+]CC2)n1C1CC1 C1CC1[*:1] CSc1nnc(C2CC[NH2+]CC2)n1[*:1]
COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 COC(=O)[*:1] O=C([C@H]1C[C@H]1[*:1])N1C[C@@H](Cc2ccccc21)n1cccn1
COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 c1cnn(c1)[*:1] COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](Cc2ccccc21)[*:1]
CC(=O)Nc1ccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1c(C)cc(C)c(c1C)[*:1]
CC(=O)Nc1ccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 CC(=O)N[*:1] Cc1cc(C)c(c(C)c1C(=O)Nc1ccc(cc1)[*:1])[N+](=O)[O-]
COc1ccc(C)cc1NC(=O)C[NH+]1CCN(c2cccc(O)c2)CC1 Oc1cccc(c1)[*:1] COc1ccc(C)cc1NC(=O)C[NH+]1CCN(CC1)[*:1]
C[NH+]1CCN(C[C@@H](CS(=O)(=O)c2ccc3ccccc3c2)N2CC[NH+](C)CC2)CC1 c1ccc2cc(ccc2c1)[*:1] C[NH+]1CCN(CC1)C[C@@H](CS(=O)(=O)[*:1])N1CC[NH+](C)CC1
CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)N[*:1]
CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 CCc1noc(C)c1[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1cccc(C#N)c1
CC(C)[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc2c(c1)CCO2 CC(C)[*:1] c1cc2OCCc2cc1[C@@H]([NH2+]CC[C@H]1CCCO1)[*:1]
CC(C)[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc2c(c1)CCO2 C1CO[C@H](C1)[*:1] CC(C)[C@H]([NH2+]CC[*:1])c1ccc2OCCc2c1
CC(C)[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc2c(c1)CCO2 C1CO[C@H](C1)C[*:1] CC(C)[C@H]([NH2+]C[*:1])c1ccc2OCCc2c1
CC[C@H](NC(=O)NC[C@@H](C)Sc1ccccc1)c1nccs1 c1ccc(cc1)S[*:1] CC[C@H](NC(=O)NC[C@@H](C)[*:1])c1nccs1
CC[C@H](NC(=O)NC[C@@H](C)Sc1ccccc1)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)NC[C@@H](C)Sc1ccccc1)[*:1]
CC[C@H](NC(=O)NC[C@@H](C)Sc1ccccc1)c1nccs1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)NC[C@@H](C)S[*:1])c1nccs1
Cc1csc(SCC(=O)Nc2ccc3c(c2)OCO3)n1 Cc1csc(n1)[*:1] O=C(CS[*:1])Nc1ccc2OCOc2c1
C[NH2+]C[C@@H](C)C(=O)Nc1cc(-n2cnnn2)ccc1F c1nnnn1[*:1] C[NH2+]C[C@@H](C)C(=O)Nc1cc(ccc1F)[*:1]
Cc1noc(C)c1C(=O)N1CCC[C@H]1c1ccccc1Cl Cc1noc(C)c1[*:1] O=C(N1CCC[C@H]1c1ccccc1Cl)[*:1]
Cc1noc(C)c1C(=O)N1CCC[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] Cc1noc(C)c1C(=O)N1CCC[C@@H]1[*:1]
C=CCNC(=O)c1ccc(NC(=O)c2c(C)[nH]c3ccccc23)cc1 C=CCNC(=O)[*:1] Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(cc1)[*:1]
C=CCNC(=O)c1ccc(NC(=O)c2c(C)[nH]c3ccccc23)cc1 C=CC[*:1] Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
O=C([O-])c1cc(-c2cccc(F)c2)nc2c(F)cccc12 O=C([O-])[*:1] Fc1cccc(c1)-c1cc(c2cccc(F)c2n1)[*:1]
O=C([O-])c1cc(-c2cccc(F)c2)nc2c(F)cccc12 Fc1cccc(c1)[*:1] O=C([O-])c1cc(nc2c(F)cccc12)[*:1]
CCCn1c(N)c(N(CCOC)C(=O)[C@@H]2CC=CCC2)c(=O)[nH]c1=O COC[*:1] CCCn1c(N)c(c(=O)[nH]c1=O)N(C[*:1])C(=O)[C@@H]1CC=CCC1
CCCn1c(N)c(N(CCOC)C(=O)[C@@H]2CC=CCC2)c(=O)[nH]c1=O CCC[*:1] COCCN(C(=O)[C@@H]1CC=CCC1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCCn1c(N)c(N(CCOC)C(=O)[C@@H]2CC=CCC2)c(=O)[nH]c1=O COCC[*:1] CCCn1c(N)c(c(=O)[nH]c1=O)N(C(=O)[C@@H]1CC=CCC1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]([S@@](=O)c2ncccc2[N+](=O)[O-])C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)[S@@](=O)c1ncccc1[N+](=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@H]([S@@](=O)c2ncccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)[S@@](=O)c1ncccc1[*:1]
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2CC[C@@H](C)[C@H](O)C2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1ccccc1C(=O)[*:1]
Cc1ccc(CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CNC(=O)NC[*:1])CN1CC[NH+](C)CC1
Cc1ccccc1CNC(=O)c1nn2ccccc2c1Cl Cc1ccccc1[*:1] O=C(NC[*:1])c1nn2ccccc2c1Cl
C[C@@H](c1ccc2c(c1)OCCO2)c1nc(Cc2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] C[C@@H](c1ccc2OCCOc2c1)c1nc(C[*:1])no1
C[C@@H](c1ccc2c(c1)OCCO2)c1nc(Cc2ccc(F)cc2)no1 Fc1ccc(cc1)C[*:1] C[C@@H](c1ccc2OCCOc2c1)c1nc(no1)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1ccncc1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)NCc1ccncc1)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1ccncc1 c1cc(ccn1)[*:1] C[C@H]1[C@@H](CCN1C(=O)NC[*:1])C(=O)[O-]
COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2)nc1 COC(=O)[*:1] C[C@H]([NH2+]Cc1ccc(cn1)[*:1])c1ccc(F)cc1
COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2)nc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc(C[NH2+][C@@H](C)[*:1])nc1
N#Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1 N#Cc1ccc(cc1)[*:1] O=C(Cn1nc(c2CCCc21)C(F)(F)F)N[*:1]
N#Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)NC(=O)Cn1nc(c2CCCc21)[*:1]
COc1ccc(OC)c(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)c1 Cc1ccc(C)c(c1)C[*:1] COc1ccc(OC)c(c1)NC(=O)c1cccn(c1=O)[*:1]
COc1ccc(OC)c(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)c1 Cc1ccc(C)c(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)c1cccn(C[*:1])c1=O
Cc1cc(C)n(-c2ccc(N[C@@H](C)c3cccc(-n4cncn4)c3)nn2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](Nc1ccc(nn1)[*:1])c1cccc(c1)-n1cncn1
Cc1cc(C)n(-c2ccc(N[C@@H](C)c3cccc(-n4cncn4)c3)nn2)n1 c1ncn(n1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N[C@@H](C)c1cccc(c1)[*:1]
CC[C@H]1CC[C@@](C[NH3+])([C@H](O)c2ccccc2OC(F)F)C1 FC(F)O[*:1] CC[C@H]1CC[C@](C[NH3+])(C1)[C@H](O)c1ccccc1[*:1]
CC[C@H]1CC[C@@](C[NH3+])([C@H](O)c2ccccc2OC(F)F)C1 FC(F)[*:1] CC[C@H]1CC[C@](C[NH3+])(C1)[C@H](O)c1ccccc1O[*:1]
CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NC(c1ccccc1)[*:1]
C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](c1nc(N)nc(n1)N(C)C)N(C)CC[*:1]
C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](c1nc(N)nc(n1)N(C)C)N(C)C[*:1]
C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CCc1ccccc1 CN(C)[*:1] C[C@H](c1nc(N)nc(n1)[*:1])N(C)CCc1ccccc1
CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 CC(C)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCN1C(=O)[*:1]
O=C(c1cc(C2CC2)n[nH]1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 C1CN(CCO1)[*:1] O=C(c1cc(n[nH]1)C1CC1)N1CCN(CC1)c1ccc(nn1)[*:1]
O=C(c1cc(C2CC2)n[nH]1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 C1CC1[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCN(CC1)c1ccc(nn1)N1CCOCC1
O=C(c1cc(C2CC2)n[nH]1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 c1c(n[nH]c1[*:1])C1CC1 O=C(N1CCN(CC1)c1ccc(nn1)N1CCOCC1)[*:1]
CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Br)cc2)on1 Brc1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)c1cc(on1)[*:1]
CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Br)cc2)on1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cc(on1)-c1ccc(Br)cc1
CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Br)cc2)on1 c1ccc(cc1)C[*:1] CN(C(=O)c1cc(on1)-c1ccc(Br)cc1)[*:1]
CCOC(=O)c1c(C)sc(-c2c(-c3ccc(OCC)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1[O-] CCO[*:1] CCOC(=O)c1c(C)sc(c1[O-])-c1c([nH]c2c1c(=O)[nH]c(=O)n2C)-c1ccc(cc1)[*:1]
CCOC(=O)c1c(C)sc(-c2c(-c3ccc(OCC)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1[O-] CCOC(=O)[*:1] CCOc1ccc(cc1)-c1[nH]c2c(c1-c1sc(C)c(c1[O-])[*:1])c(=O)[nH]c(=O)n2C
CCOC(=O)c1c(C)sc(-c2c(-c3ccc(OCC)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1[O-] CCOc1ccc(cc1)[*:1] CCOC(=O)c1c(C)sc(c1[O-])-c1c([nH]c2c1c(=O)[nH]c(=O)n2C)[*:1]
Cc1oc2ccc(OCc3ccc(Br)cc3)cc2c1C(=O)[O-] O=C([O-])[*:1] Cc1oc2ccc(cc2c1[*:1])OCc1ccc(Br)cc1
Cc1oc2ccc(OCc3ccc(Br)cc3)cc2c1C(=O)[O-] Brc1ccc(cc1)[*:1] Cc1oc2ccc(cc2c1C(=O)[O-])OC[*:1]
FC(F)(F)COc1ccccc1OCc1noc(C2CC2)n1 FC(F)(F)C[*:1] c1ccc(O[*:1])c(c1)OCc1noc(n1)C1CC1
FC(F)(F)COc1ccccc1OCc1noc(C2CC2)n1 C1CC1[*:1] FC(F)(F)COc1ccccc1OCc1noc(n1)[*:1]
FC(F)(F)COc1ccccc1OCc1noc(C2CC2)n1 FC(F)(F)CO[*:1] c1ccc(c(c1)OCc1noc(n1)C1CC1)[*:1]
FC(F)(F)COc1ccccc1OCc1noc(C2CC2)n1 FC(F)(F)[*:1] c1ccc(OC[*:1])c(c1)OCc1noc(n1)C1CC1
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cnc(Oc3ccccc3)cn2)CC1 c1ccc(cc1)O[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)c1cnc(cn1)[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cnc(Oc3ccccc3)cn2)CC1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)c1cnc(cn1)O[*:1]
COc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)cn1 Clc1ccccc1[*:1] COc1ccc(cn1)C[NH2+]Cc1c(C)nn(C[*:1])c1Cl
COc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)cn1 COc1ccc(cn1)[*:1] Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]C[*:1]
COc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)cn1 Clc1ccccc1C[*:1] COc1ccc(cn1)C[NH2+]Cc1c(C)nn(c1Cl)[*:1]
CC(=O)c1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)nc1C CC(=O)[*:1] Cc1nc(ccc1[*:1])CNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1
O=C(NC[C@@H](O)COCC1CC1)c1cc2c(nc3sccn32)s1 C1CC1COC[*:1] O=C(NC[C@@H](O)[*:1])c1cc2c(nc3sccn32)s1
O=C(NC[C@@H](O)COCC1CC1)c1cc2c(nc3sccn32)s1 C1CC1C[*:1] O=C(NC[C@@H](O)CO[*:1])c1cc2c(nc3sccn32)s1
O=C(NC[C@@H](O)COCC1CC1)c1cc2c(nc3sccn32)s1 C1CC1CO[*:1] O=C(NC[C@@H](O)C[*:1])c1cc2c(nc3sccn32)s1
O=C(NC[C@@H](O)COCC1CC1)c1cc2c(nc3sccn32)s1 C1CC1[*:1] O=C(NC[C@@H](O)COC[*:1])c1cc2c(nc3sccn32)s1
Cc1ccccc1C(=O)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccc(Cl)cc4Cl)c3[nH]2)C1 Clc1ccc(c(Cl)c1)[*:1] Cc1ccccc1C(=O)N1CCC[C@@H](C1)c1nc(=O)c2nnn(C[*:1])c2[nH]1
Cc1ccccc1C(=O)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccc(Cl)cc4Cl)c3[nH]2)C1 Cc1ccccc1[*:1] O=C(N1CCC[C@@H](C1)c1nc(=O)c2nnn(Cc3ccc(Cl)cc3Cl)c2[nH]1)[*:1]
Cc1ccccc1C(=O)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccc(Cl)cc4Cl)c3[nH]2)C1 Clc1ccc(C[*:1])c(Cl)c1 Cc1ccccc1C(=O)N1CCC[C@@H](C1)c1nc(=O)c2nnn(c2[nH]1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1cccc(Cl)c1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C)C(=O)c1cccc(Cl)c1
C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1cccc(Cl)c1 CS(=O)(=O)C[*:1] C[C@@H](N(C)C(=O)c1cccc(Cl)c1)[*:1]
C/[NH+]=C(/NCc1ncnn1C)N[C@@H](C)c1ccccc1Br Cn1ncnc1[*:1] C/[NH+]=C(/NC[*:1])N[C@@H](C)c1ccccc1Br
C/[NH+]=C(/NCc1ncnn1C)N[C@@H](C)c1ccccc1Br Brc1ccccc1[*:1] C/[NH+]=C(/NCc1ncnn1C)N[C@@H](C)[*:1]
C/[NH+]=C(/NCc1ncnn1C)N[C@@H](C)c1ccccc1Br Cn1ncnc1C[*:1] C/[NH+]=C(\N[C@@H](C)c1ccccc1Br)N[*:1]
Cc1n[nH]c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 c1ccc(cc1)C[*:1] Cc1n[nH]c(C)c1S(=O)(=O)N([C@@H]1CCOC(C)(C)C1)[*:1]
Cc1n[nH]c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 Cc1n[nH]c(C)c1[*:1] CC1(C)C[C@@H](CCO1)N(Cc1ccccc1)S(=O)(=O)[*:1]
Cc1n[nH]c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1S(=O)(=O)N(C[*:1])[C@@H]1CCOC(C)(C)C1
COc1ccc(S(=O)(=O)N[C@@H](C)c2ccon2)cc1C(=O)N(C)C c1cc(no1)[*:1] COc1ccc(cc1C(=O)N(C)C)S(=O)(=O)N[C@@H](C)[*:1]
COc1ccc(S(=O)(=O)N[C@@H](C)c2ccon2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N[C@@H](C)c1ccon1
Cc1ccc(OC2CCN(C(=O)N[C@@H](C)CCCO)CC2)cc1C OCC[*:1] Cc1ccc(cc1C)OC1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
Cc1ccc(OC2CCN(C(=O)N[C@@H](C)CCCO)CC2)cc1C OCCC[*:1] Cc1ccc(cc1C)OC1CCN(CC1)C(=O)N[C@@H](C)[*:1]
Cc1ccc(OC2CCN(C(=O)N[C@@H](C)CCCO)CC2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](CCCO)NC(=O)N1CCC(CC1)O[*:1]
CC(C)(C)c1n[nH]c(C(=O)N[C@@H]2CCCOC2)n1 CC(C)(C)[*:1] O=C(N[C@@H]1CCCOC1)c1nc(n[nH]1)[*:1]
CC(C)(C)c1n[nH]c(C(=O)N[C@@H]2CCCOC2)n1 C1COC[C@@H](C1)[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)N[*:1]
Cc1cc2nc(C[C@H](NS(=O)(=O)c3ccccc3)c3ccc(F)cc3)cc(O)n2n1 O=S(=O)(N[*:1])c1ccccc1 Cc1cc2nc(cc(O)n2n1)C[C@H](c1ccc(F)cc1)[*:1]
Cc1cc2nc(C[C@H](NS(=O)(=O)c3ccccc3)c3ccc(F)cc3)cc(O)n2n1 Fc1ccc(cc1)[*:1] Cc1cc2nc(cc(O)n2n1)C[C@H](NS(=O)(=O)c1ccccc1)[*:1]
Cc1cc2nc(C[C@H](NS(=O)(=O)c3ccccc3)c3ccc(F)cc3)cc(O)n2n1 c1ccc(cc1)[*:1] Cc1cc2nc(cc(O)n2n1)C[C@H](NS(=O)(=O)[*:1])c1ccc(F)cc1
CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCc1ccc[nH]1 c1c[nH]c(c1)CC[*:1] CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[*:1]
CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCc1ccc[nH]1 CC(=O)N[*:1] O=C(NCCc1ccc[nH]1)[C@@H](Cc1c[nH]c2cc(F)ccc12)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCc1ccc[nH]1 c1c[nH]c(c1)[*:1] CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCC[*:1]
CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCc1ccc[nH]1 c1c[nH]c(c1)C[*:1] CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC[*:1]
COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C COc1ccccc1C[*:1] Cc1ccc(cc1C(=O)N(C)[*:1])S(=O)(=O)Nc1ccccc1F
COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C Fc1ccccc1[*:1] COc1ccccc1CN(C)C(=O)c1cc(ccc1C)S(=O)(=O)N[*:1]
COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C COc1ccccc1[*:1] Cc1ccc(cc1C(=O)N(C)C[*:1])S(=O)(=O)Nc1ccccc1F
CCn1ncc(S(=O)(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)c1C C1CCC(C1)[*:1] CCn1ncc(c1C)S(=O)(=O)N1CCCC[C@H]1c1cc([nH]n1)C(=O)N[*:1]
CCn1ncc(S(=O)(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)c1C CCn1ncc(c1C)[*:1] O=C(NC1CCCC1)c1cc(n[nH]1)[C@@H]1CCCCN1S(=O)(=O)[*:1]
CCn1ncc(S(=O)(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)c1C O=C(NC1CCCC1)[*:1] CCn1ncc(c1C)S(=O)(=O)N1CCCC[C@H]1c1cc([nH]n1)[*:1]
Cc1c(N2CCC(C(=O)N3CCN(C4CCCCC4)CC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(c(=O)n(C)c(=O)n1[*:1])N1CCC(CC1)C(=O)N1CCN(CC1)C1CCCCC1
Cc1c(N2CCC(C(=O)N3CCN(C4CCCCC4)CC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 C1CCC(CC1)[*:1] Cc1c(c(=O)n(C)c(=O)n1-c1ccccc1)N1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
O=S1(=O)C[C@@H](c2ccccc2)[C@@H](OS(=O)(=O)[O-])C1 c1ccc(cc1)[*:1] O=S1(=O)C[C@@H]([C@H](C1)OS(=O)(=O)[O-])[*:1]
O=S1(=O)C[C@@H](c2ccccc2)[C@@H](OS(=O)(=O)[O-])C1 O=S(=O)([O-])O[*:1] O=S1(=O)C[C@@H](c2ccccc2)[C@@H](C1)[*:1]
Cc1cccc(CCCOC(=O)c2csc(-c3ccc(C)o3)n2)n1 Cc1cccc(C[*:1])n1 Cc1ccc(o1)-c1nc(cs1)C(=O)OCC[*:1]
Cc1cccc(CCCOC(=O)c2csc(-c3ccc(C)o3)n2)n1 Cc1cccc(n1)[*:1] Cc1ccc(o1)-c1nc(cs1)C(=O)OCCC[*:1]
Cc1cccc(CCCOC(=O)c2csc(-c3ccc(C)o3)n2)n1 Cc1ccc(o1)[*:1] Cc1cccc(CCCOC(=O)c2csc(n2)[*:1])n1
C[NH+](CCN1CCOCC1)Cc1cccc(NC(=O)c2ccccc2Cl)c1 C1CN(CCO1)[*:1] C[NH+](CC[*:1])Cc1cccc(c1)NC(=O)c1ccccc1Cl
C[NH+](CCN1CCOCC1)Cc1cccc(NC(=O)c2ccccc2Cl)c1 C1CN(CCO1)C[*:1] C[NH+](Cc1cccc(c1)NC(=O)c1ccccc1Cl)C[*:1]
C[NH+](CCN1CCOCC1)Cc1cccc(NC(=O)c2ccccc2Cl)c1 Clc1ccccc1[*:1] C[NH+](CCN1CCOCC1)Cc1cccc(c1)NC(=O)[*:1]
Cc1cc(/C=C(/C#N)C(=O)N2CCN(CC#N)CC2)c(C)n1CCC(C)C N#CC[*:1] Cc1cc(/C=C(/C#N)C(=O)N2CCN(CC2)[*:1])c(C)n1CCC(C)C
Cc1cc(/C=C(/C#N)C(=O)N2CCN(CC#N)CC2)c(C)n1CCC(C)C CC(C)CC[*:1] Cc1cc(/C=C(/C#N)C(=O)N2CCN(CC#N)CC2)c(C)n1[*:1]
Cc1cc(/C=C(/C#N)C(=O)N2CCN(CC#N)CC2)c(C)n1CCC(C)C CC(C)C[*:1] Cc1cc(/C=C(/C#N)C(=O)N2CCN(CC#N)CC2)c(C)n1C[*:1]
Cc1cc(/C=C(/C#N)C(=O)N2CCN(CC#N)CC2)c(C)n1CCC(C)C CC(C)[*:1] Cc1cc(/C=C(/C#N)C(=O)N2CCN(CC#N)CC2)c(C)n1CC[*:1]
CCCC(=O)Nc1cccc(NC(=O)NCCc2ccc(F)cc2C)c1 CCC[*:1] Cc1cc(F)ccc1CCNC(=O)Nc1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(NC(=O)NCCc2ccc(F)cc2C)c1 CCCC(=O)N[*:1] Cc1cc(F)ccc1CCNC(=O)Nc1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)NCCc2ccc(F)cc2C)c1 Cc1cc(F)ccc1[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)NCC[*:1]
CCOC(=O)N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C)c(C)c2)CC1 Cc1ccc(cc1C)[*:1] CCOC(=O)N1CCC(CC1)[NH2+]Cc1c[nH]nc1[*:1]
CC[C@@H](C)C[C@H](C)Nc1c(F)c(F)nc(F)c1F CC[C@@H](C)[*:1] C[C@@H](C[*:1])Nc1c(F)c(F)nc(F)c1F
CC[C@@H](C)C[C@H](C)Nc1c(F)c(F)nc(F)c1F CC[C@@H](C)C[*:1] C[C@H](Nc1c(F)c(F)nc(F)c1F)[*:1]
COCC[C@@H](C)NC(=O)c1cnn(C(C)C)c1C COCC[C@@H](C)[*:1] Cc1c(cnn1C(C)C)C(=O)N[*:1]
COCC[C@@H](C)NC(=O)c1cnn(C(C)C)c1C CC(C)[*:1] COCC[C@@H](C)NC(=O)c1cnn(c1C)[*:1]
COCC[C@@H](C)NC(=O)c1cnn(C(C)C)c1C COCC[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@H](C)[*:1]
COCC[C@@H](C)NC(=O)c1cnn(C(C)C)c1C COC[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@H](C)C[*:1]
CCOc1ccc(NC(=O)N(C)CCCC(=O)[O-])cn1 O=C([O-])CC[*:1] CCOc1ccc(cn1)NC(=O)N(C)C[*:1]
CCOc1ccc(NC(=O)N(C)CCCC(=O)[O-])cn1 CCO[*:1] CN(CCCC(=O)[O-])C(=O)Nc1ccc(nc1)[*:1]
CCOc1ccc(NC(=O)N(C)CCCC(=O)[O-])cn1 O=C([O-])C[*:1] CCOc1ccc(cn1)NC(=O)N(C)CC[*:1]
CCOc1ccc(NC(=O)N(C)CCCC(=O)[O-])cn1 O=C([O-])[*:1] CCOc1ccc(cn1)NC(=O)N(C)CCC[*:1]
CCOc1ccc(NC(=O)N(C)CCCC(=O)[O-])cn1 O=C([O-])CCC[*:1] CCOc1ccc(cn1)NC(=O)N(C)[*:1]
COc1cc(C)cc(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)c1O c1ccc(cc1)C[*:1] COc1cc(C)cc(C(=O)N[C@@H](C)c2noc(n2)[*:1])c1O
COc1cc(C)cc(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)c1O c1ccc(cc1)[*:1] COc1cc(C)cc(C(=O)N[C@@H](C)c2noc(C[*:1])n2)c1O
Cc1ccsc1/C=C/c1ccc2cccc(O)c2n1 Cc1ccsc1[*:1] Oc1cccc2ccc(C=C[*:1])nc12
Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1cnc2ccc(F)cc2c1NC[*:1]
Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2NCc2ccc(F)cc2)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] Fc1ccc(cc1)CNc1c(cnc2ccc(F)cc12)[*:1]
Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2NCc2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1)[*:1]
Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)CN[*:1] Cc1ccc(cc1)S(=O)(=O)c1cnc2ccc(F)cc2c1[*:1]
Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)c1cnc2ccc(F)cc2c1N[*:1]
CCc1cc(CNc2cc(-n3cccn3)nc(N)n2)on1 CCc1cc(on1)[*:1] Nc1nc(cc(n1)-n1cccn1)NC[*:1]
CCc1cc(CNc2cc(-n3cccn3)nc(N)n2)on1 c1cnn(c1)[*:1] CCc1cc(CNc2cc(nc(N)n2)[*:1])on1
CC(C)CN1C(=O)NC(=N)C12CCCCC2 CC(C)C[*:1] N=C1NC(=O)N(C12CCCCC2)[*:1]
CC(C)CN1C(=O)NC(=N)C12CCCCC2 CC(C)[*:1] N=C1NC(=O)N(C[*:1])C12CCCCC2
Cc1ccc(CCC(=O)N2CCn3cccc3[C@H]2c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(CCC(=O)N2CCn3cccc3[C@@H]2[*:1])o1
Cc1ccc(CCC(=O)N2CCn3cccc3[C@H]2c2ccccc2)o1 Cc1ccc(C[*:1])o1 O=C(C[*:1])N1CCn2cccc2[C@H]1c1ccccc1
Cc1ccc(CCC(=O)N2CCn3cccc3[C@H]2c2ccccc2)o1 Cc1ccc(CC[*:1])o1 O=C(N1CCn2cccc2[C@H]1c1ccccc1)[*:1]
Cc1ccc(CCC(=O)N2CCn3cccc3[C@H]2c2ccccc2)o1 Cc1ccc(o1)[*:1] O=C(CC[*:1])N1CCn2cccc2[C@H]1c1ccccc1
Cc1cc(C#CCCO)ccc1NC(=O)[C@@H]1CCO[C@H]1C OCCC#C[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCO[C@H]1C)[*:1]
Cc1cc(C#CCCO)ccc1NC(=O)[C@@H]1CCO[C@H]1C OCC[*:1] Cc1cc(C#C[*:1])ccc1NC(=O)[C@@H]1CCO[C@H]1C
CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCC[C@H](C)C2)CC1 C[C@H]1CCC[C@@H](C1)[*:1] CCN1CC[NH+](CC1)C[C@H](C)CNC(=O)NC[*:1]
CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCC[C@H](C)C2)CC1 C[C@H]1CCC[C@@H](C1)C[*:1] CCN1CC[NH+](CC1)C[C@H](C)CNC(=O)N[*:1]
Nc1cnn(CC(=O)O[C@H]2CCOC3(CCOCC3)C2)c1 Nc1cnn(c1)[*:1] O=C(C[*:1])O[C@H]1CCOC2(CCOCC2)C1
Nc1cnn(CC(=O)O[C@H]2CCOC3(CCOCC3)C2)c1 Nc1cnn(c1)C[*:1] O=C(O[C@H]1CCOC2(CCOCC2)C1)[*:1]
COC(=O)CCCNC(=O)N1C[C@@H](C)CC[C@H]1C COC(=O)CC[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)NC[*:1]
COC(=O)CCCNC(=O)N1C[C@@H](C)CC[C@H]1C COC(=O)[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)NCCC[*:1]
COC(=O)CCCNC(=O)N1C[C@@H](C)CC[C@H]1C COC(=O)C[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)NCC[*:1]
C[C@@H]1C[C@@H]1COC(=O)CN(C)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]1C[C@@H]1COC(=O)CN(C)c1ccccc1[*:1]
NC(=O)c1ccc(C(F)(F)F)nc1N[C@@H]1CC[NH2+]C1 FC(F)(F)[*:1] NC(=O)c1ccc(nc1N[C@@H]1CC[NH2+]C1)[*:1]
NC(=O)c1ccc(C(F)(F)F)nc1N[C@@H]1CC[NH2+]C1 NC(=O)[*:1] FC(F)(F)c1ccc(c(n1)N[C@@H]1CC[NH2+]C1)[*:1]
CCC[C@H](C(=O)Nc1ccc2c(C)n[nH]c2c1)[NH+](C)C CCC[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[C@H]([NH+](C)C)[*:1]
COc1ccc2c(=O)cc(C(=O)N(C)Cc3cccc(F)c3)oc2c1 Fc1cccc(c1)C[*:1] COc1ccc2c(=O)cc(oc2c1)C(=O)N(C)[*:1]
COc1ccc2c(=O)cc(C(=O)N(C)Cc3cccc(F)c3)oc2c1 Fc1cccc(c1)[*:1] COc1ccc2c(=O)cc(oc2c1)C(=O)N(C)C[*:1]
C[C@H]([NH2+]C[C@]1(C)CCCO1)[C@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+]C[C@]1(C)CCCO1)[C@H](C)[*:1]
C[C@H]([NH2+]C[C@]1(C)CCCO1)[C@H](C)C(=O)[O-] C[C@H](C(=O)[O-])[*:1] C[C@H]([NH2+]C[C@]1(C)CCCO1)[*:1]
CON/C=C/C(=O)Nc1ccc(F)cc1 CON[*:1] O=C(C=C[*:1])Nc1ccc(F)cc1
CON/C=C/C(=O)Nc1ccc(F)cc1 CONC=C[*:1] O=C(Nc1ccc(F)cc1)[*:1]
O=[N+]([O-])c1ccc2oc([S@@](=O)[C@H]3CCC[NH2+]C3)nc2c1 O=[N+]([O-])[*:1] O=[S@](c1nc2cc(ccc2o1)[*:1])[C@H]1CCC[NH2+]C1
Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1S(=O)(=O)N(C)C c1ccc(cc1)C[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)c1cnn(c1)[*:1]
Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1S(=O)(=O)N(C)C c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)c1cnn(c1)C[*:1]
Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cnn(c1)Cc1ccccc1
CC(=O)Nc1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1 c1coc(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CN1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1 CC(=O)N[*:1] O=C(CN1CCN(CC1)C(=O)c1ccco1)Nc1ccc(cc1)[*:1]
Cc1ccc(OCCNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cc1 Cc1ccc(cc1)O[*:1] Cc1nc([nH]c(=O)c1C(=O)NCC[*:1])C(C)(C)C
Cc1ccc(OCCNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1C(=O)NCCO[*:1])C(C)(C)C
Cc1ccc(OCCNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)OCCNC(=O)c1c(C)nc([nH]c1=O)[*:1]
CCCN1CCO[C@H]([C@@H](NC)c2[nH+]ccn2CCC)C1 CCC[*:1] CCCN1CCO[C@@H](C1)[C@@H](NC)c1[nH+]ccn1[*:1]
CCCN1CCO[C@H]([C@@H](NC)c2[nH+]ccn2CCC)C1 CCC[*:1] CCCn1cc[nH+]c1[C@H](NC)[C@@H]1CN(CCO1)[*:1]
NC(=O)C1(NCC(=O)NC(=O)Nc2ccccc2)CCCCC1 c1ccc(cc1)[*:1] NC(=O)C1(CCCCC1)NCC(=O)NC(=O)N[*:1]
NC(=O)C1(NCC(=O)NC(=O)Nc2ccccc2)CCCCC1 NC(=O)[*:1] O=C(CNC1(CCCCC1)[*:1])NC(=O)Nc1ccccc1
COC(=O)[C@]1(NC(C)C)CC[C@@H](OC[C@@H]2CCOC2)C1 C1C[C@H](CO1)C[*:1] COC(=O)[C@@]1(CC[C@H](C1)O[*:1])NC(C)C
COC(=O)[C@]1(NC(C)C)CC[C@@H](OC[C@@H]2CCOC2)C1 CC(C)[*:1] COC(=O)[C@@]1(CC[C@H](C1)OC[C@@H]1CCOC1)N[*:1]
COC(=O)[C@]1(NC(C)C)CC[C@@H](OC[C@@H]2CCOC2)C1 C1C[C@H](CO1)[*:1] COC(=O)[C@@]1(CC[C@H](C1)OC[*:1])NC(C)C
COC(=O)[C@]1(NC(C)C)CC[C@@H](OC[C@@H]2CCOC2)C1 COC(=O)[*:1] CC(C)N[C@@]1(CC[C@H](C1)OC[C@@H]1CCOC1)[*:1]
COC(=O)[C@]1(NC(C)C)CC[C@@H](OC[C@@H]2CCOC2)C1 CC(C)N[*:1] COC(=O)[C@@]1(CC[C@H](C1)OC[C@@H]1CCOC1)[*:1]
CCC[NH2+][C@@H]1[C@H](n2cc[nH+]c2C(C)C)CCC1(C)C CC(C)[*:1] CCC[NH2+][C@@H]1[C@@H](CCC1(C)C)n1cc[nH+]c1[*:1]
CCC[NH2+][C@@H]1[C@H](n2cc[nH+]c2C(C)C)CCC1(C)C CCC[*:1] CC(C)c1[nH+]ccn1[C@@H]1CCC(C)(C)[C@@H]1[NH2+][*:1]
C[C@H]1C(=O)N(C[C@H](O)COc2cccc(C(F)(F)F)c2)C(=O)[C@@H]1C FC(F)(F)[*:1] C[C@H]1C(=O)N(C[C@H](O)COc2cccc(c2)[*:1])C(=O)[C@@H]1C
CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1 CC(C)O[*:1] CS(=O)(=O)N1CCCc2ccc(cc21)NC(=O)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1 CC(C)[*:1] CS(=O)(=O)N1CCCc2ccc(cc21)NC(=O)c1ccc(cc1)O[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC(c2[nH]c(-c3ccc(F)c(F)c3)c[nH+]2)CC1 Fc1ccc(cc1F)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC(CC1)c1[nH]c(c[nH+]1)[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC(c2[nH]c(-c3ccc(F)c(F)c3)c[nH+]2)CC1 c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])N1CCC(CC1)c1[nH]c(c[nH+]1)-c1ccc(F)c(F)c1
NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1ncccn1)CC2 c1cnc(nc1)[*:1] NC(=O)CN1CC2(CCC1=O)CC[NH+](CC2)C[*:1]
NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1ncccn1)CC2 c1cnc(C[*:1])nc1 NC(=O)CN1CC2(CCC1=O)CC[NH+](CC2)[*:1]
NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1ncccn1)CC2 NC(=O)C[*:1] O=C1CCC2(CC[NH+](CC2)Cc2ncccn2)CN1[*:1]
NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1ncccn1)CC2 NC(=O)[*:1] O=C1CCC2(CC[NH+](CC2)Cc2ncccn2)CN1C[*:1]
O=C(OCc1ccccc1)N1CC[C@H](Cn2c(CO)nc3cccnc32)C1 c1ccc(cc1)C[*:1] O=C(O[*:1])N1CC[C@@H](C1)Cn1c(CO)nc2cccnc21
O=C(OCc1ccccc1)N1CC[C@H](Cn2c(CO)nc3cccnc32)C1 c1ccc(cc1)[*:1] O=C(OC[*:1])N1CC[C@@H](C1)Cn1c(CO)nc2cccnc21
CCc1c(C)c2ccc3c(c2oc1=O)C[NH+](Cc1ccc2c(c1)OCO2)CO3 c1cc2OCOc2cc1[*:1] CCc1c(C)c2ccc3OC[NH+](Cc3c2oc1=O)C[*:1]
COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)c(OC)c2)C3)cc1Cl CC(C)[*:1] COc1ccc(cc1Cl)[C@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)c1ccc(O[*:1])c(c1)OC
COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)c(OC)c2)C3)cc1Cl COc1ccc(cc1Cl)[*:1] COc1cc(ccc1OC(C)C)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)c(OC)c2)C3)cc1Cl CC(C)O[*:1] COc1ccc(cc1Cl)[C@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)c1ccc(c(c1)OC)[*:1]
CCN(C(=O)CSC[C@@H](C)CO)c1nc2ccccc2s1 C[C@@H](CO)[*:1] CCN(C(=O)CSC[*:1])c1nc2ccccc2s1
C[S@](=O)c1ccc(NC(=O)c2ccnc(OC(C)(C)C)c2)cc1 CC(C)(C)[*:1] C[S@](=O)c1ccc(cc1)NC(=O)c1ccnc(c1)O[*:1]
C[S@](=O)c1ccc(NC(=O)c2ccnc(OC(C)(C)C)c2)cc1 CC(C)(C)O[*:1] C[S@](=O)c1ccc(cc1)NC(=O)c1ccnc(c1)[*:1]
CC[NH+](CC(=O)NC1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] CC[NH+](CC(=O)N[*:1])C1CCCCC1
CC[NH+](CC(=O)NC1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] CC[NH+](CC(=O)NC1CCCCC1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1cscc1C CSC[*:1] CC[C@@H](N(C)C(=O)c1cscc1C)[*:1]
COc1ccc(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c(OC)c1 O=C1CCCN1[*:1] COc1ccc(C(=O)Nc2ccc(C)c(c2)[*:1])c(c1)OC
NC(=O)C[C@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1 NC(=O)C[*:1] O=C(Cc1ccc(F)cc1F)N1CCC[C@@H](C1)[*:1]
NC(=O)C[C@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1 NC(=O)[*:1] O=C(Cc1ccc(F)cc1F)N1CCC[C@@H](C1)C[*:1]
CCCCN1CCc2[nH]c[nH+]c2C12CCN(c1noc(-c3ccccc3)n1)CC2 CCCC[*:1] c1ccc(cc1)-c1nc(no1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2[*:1]
CCCCN1CCc2[nH]c[nH+]c2C12CCN(c1noc(-c3ccccc3)n1)CC2 c1ccc(cc1)[*:1] CCCCN1CCc2[nH]c[nH+]c2C12CCN(CC2)c1noc(n1)[*:1]
CCCCN1CCc2[nH]c[nH+]c2C12CCN(c1noc(-c3ccccc3)n1)CC2 CCC[*:1] c1ccc(cc1)-c1nc(no1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C[*:1]
CCCCCNC(=O)NNC(=O)c1ccc(C)nc1C CCCC[*:1] Cc1ccc(C(=O)NNC(=O)NC[*:1])c(C)n1
CCCCCNC(=O)NNC(=O)c1ccc(C)nc1C CCC[*:1] Cc1ccc(C(=O)NNC(=O)NCC[*:1])c(C)n1
CCCCCNC(=O)NNC(=O)c1ccc(C)nc1C CCCCC[*:1] Cc1ccc(C(=O)NNC(=O)N[*:1])c(C)n1
CCOc1cccc(NC(=O)c2cc(S(N)(=O)=O)oc2C)c1 NS(=O)(=O)[*:1] CCOc1cccc(c1)NC(=O)c1cc(oc1C)[*:1]
CCOc1cccc(NC(=O)c2cc(S(N)(=O)=O)oc2C)c1 CCO[*:1] Cc1oc(cc1C(=O)Nc1cccc(c1)[*:1])S(N)(=O)=O
Cc1cc(CSc2nnc(NC3CC3)s2)no1 C1CC1[*:1] Cc1cc(CSc2nnc(N[*:1])s2)no1
Cc1cc(CSc2nnc(NC3CC3)s2)no1 C1CC1N[*:1] Cc1cc(CSc2nnc(s2)[*:1])no1
C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)c1ccccc1 c1cc(co1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NNC(=O)c1ccccc1
C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)[*:1]
Cc1ccc([C@@H](C)NC(=O)NCC(F)(F)F)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)N[*:1]
Cc1ccc([C@@H](C)NC(=O)NCC(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)NC[*:1]
C[C@@H](Cc1cccc(F)c1)NC(=O)N1C[C@H]2CCCC[C@H]2C1 Fc1cccc(c1)[*:1] C[C@@H](C[*:1])NC(=O)N1C[C@H]2CCCC[C@H]2C1
Cc1[nH]nc(C(=O)NCC(C)(C)c2cccc(Cl)c2)c1[N+](=O)[O-] Clc1cccc(c1)[*:1] Cc1[nH]nc(C(=O)NCC(C)(C)[*:1])c1[N+](=O)[O-]
Cc1[nH]nc(C(=O)NCC(C)(C)c2cccc(Cl)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1[nH]nc(C(=O)NCC(C)(C)c2cccc(Cl)c2)c1[*:1]
C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2)CCO1 FC(F)(F)C[*:1] C[C@H]1CN(CCO1)C(=O)C(=O)Nc1cccc(c1)O[*:1]
C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2)CCO1 FC(F)(F)CO[*:1] C[C@H]1CN(CCO1)C(=O)C(=O)Nc1cccc(c1)[*:1]
C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2)CCO1 FC(F)(F)[*:1] C[C@H]1CN(CCO1)C(=O)C(=O)Nc1cccc(c1)OC[*:1]
O=c1[nH]c(N2CCCC2)nc2nccc(/C=C/c3cccc(Cl)c3)c12 C1CCN(C1)[*:1] O=c1[nH]c(nc2nccc(/C=C/c3cccc(Cl)c3)c12)[*:1]
O=c1[nH]c(N2CCCC2)nc2nccc(/C=C/c3cccc(Cl)c3)c12 Clc1cccc(c1)[*:1] O=c1[nH]c(nc2nccc(C=C[*:1])c12)N1CCCC1
CC[NH2+][C@@H](C)c1ccccc1SCC(C)C CC(C)CS[*:1] CC[NH2+][C@@H](C)c1ccccc1[*:1]
CC[NH2+][C@@H](C)c1ccccc1SCC(C)C CC(C)C[*:1] CC[NH2+][C@@H](C)c1ccccc1S[*:1]
CC[NH2+][C@@H](C)c1ccccc1SCC(C)C CC(C)[*:1] CC[NH2+][C@@H](C)c1ccccc1SC[*:1]
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OC2CCCCC2)C1=O C1CCC(CC1)[*:1] C[C@]1(NC(=O)N(CC(=O)O[*:1])C1=O)c1ccccc1
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OC2CCCCC2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)OC2CCCCC2)C1=O)[*:1]
O=[N+]([O-])c1cc(-c2ccccc2)ccc1O O=[N+]([O-])[*:1] Oc1ccc(cc1[*:1])-c1ccccc1
C[C@@H]1CN(C(=O)NC(=O)CCCCC(=O)[O-])CCO1 O=C([O-])C[*:1] C[C@@H]1CN(CCO1)C(=O)NC(=O)CCC[*:1]
C[C@@H]1CN(C(=O)NC(=O)CCCCC(=O)[O-])CCO1 O=C([O-])CCC[*:1] C[C@@H]1CN(CCO1)C(=O)NC(=O)C[*:1]
C[C@@H]1CN(C(=O)NC(=O)CCCCC(=O)[O-])CCO1 O=C([O-])CC[*:1] C[C@@H]1CN(CCO1)C(=O)NC(=O)CC[*:1]
C[C@@H]1CN(C(=O)NC(=O)CCCCC(=O)[O-])CCO1 O=C([O-])[*:1] C[C@@H]1CN(CCO1)C(=O)NC(=O)CCCC[*:1]
N/C(=N\O)c1cc2cccc3c2n(c1=O)CCC3 N/C(=N\O)[*:1] O=c1c(cc2cccc3CCCn1c32)[*:1]
N#Cc1ccc([C@@H](SCCCc2ccccc2)C(N)=O)cc1 NC(=O)[*:1] N#Cc1ccc(cc1)[C@@H](SCCCc1ccccc1)[*:1]
N#Cc1ccc([C@@H](SCCCc2ccccc2)C(N)=O)cc1 c1ccc(cc1)C[*:1] N#Cc1ccc(cc1)[C@@H](SCC[*:1])C(N)=O
N#Cc1ccc([C@@H](SCCCc2ccccc2)C(N)=O)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)[C@@H](SCCC[*:1])C(N)=O
O=C(COc1ccc(C(=O)N2CCCCCC2)cc1)C1CC1 O=C(CO[*:1])C1CC1 O=C(c1ccc(cc1)[*:1])N1CCCCCC1
O=C(COc1ccc(C(=O)N2CCCCCC2)cc1)C1CC1 C1CC1[*:1] O=C(c1ccc(cc1)OCC(=O)[*:1])N1CCCCCC1
O=C(COc1ccc(C(=O)N2CCCCCC2)cc1)C1CC1 O=C(C1CC1)[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCCCCC1
O=C(COc1ccc(C(=O)N2CCCCCC2)cc1)C1CC1 O=C(C[*:1])C1CC1 O=C(c1ccc(cc1)O[*:1])N1CCCCCC1
O=C([O-])c1c(S(=O)(=O)N2CCCCC2)sc2c1CC[NH2+]C2 O=C([O-])[*:1] O=S(=O)(c1sc2C[NH2+]CCc2c1[*:1])N1CCCCC1
Cc1ccc2ncc(C(=O)Nc3ccn(CC(F)F)n3)n2c1 FC(F)C[*:1] Cc1ccc2ncc(C(=O)Nc3ccn(n3)[*:1])n2c1
Cc1ccc2ncc(C(=O)Nc3ccn(CC(F)F)n3)n2c1 FC(F)[*:1] Cc1ccc2ncc(C(=O)Nc3ccn(C[*:1])n3)n2c1
CN(C)C(=O)C[C@@H]([NH2+]C[C@@H]1CCCO1)C(N)=O CN(C)C(=O)[*:1] NC(=O)[C@@H](C[*:1])[NH2+]C[C@@H]1CCCO1
CN(C)C(=O)C[C@@H]([NH2+]C[C@@H]1CCCO1)C(N)=O C1CO[C@@H](C1)[*:1] CN(C)C(=O)C[C@@H]([NH2+]C[*:1])C(N)=O
CN(C)C(=O)C[C@@H]([NH2+]C[C@@H]1CCCO1)C(N)=O NC(=O)[*:1] CN(C)C(=O)C[C@@H]([NH2+]C[C@@H]1CCCO1)[*:1]
CC(C)[NH2+]Cc1ncnn1[C@@H]1CCOC2(CCCCC2)C1 CC(C)[*:1] c1nc(C[NH2+][*:1])n(n1)[C@@H]1CCOC2(CCCCC2)C1
CNC(=O)[C@@]1(C)CN(Cc2cnc(C)nc2)CCO1 CNC(=O)[*:1] Cc1ncc(cn1)CN1CCO[C@@](C)(C1)[*:1]
CC(=O)Nc1ccc(C(c2ccc(NC(C)=O)cc2)(C(F)(F)F)C(F)(F)F)cc1 CC(=O)N[*:1] CC(=O)Nc1ccc(cc1)C(c1ccc(cc1)[*:1])(C(F)(F)F)C(F)(F)F
CC(=O)Nc1ccc(C(c2ccc(NC(C)=O)cc2)(C(F)(F)F)C(F)(F)F)cc1 FC(F)(F)[*:1] CC(=O)Nc1ccc(cc1)C(c1ccc(cc1)NC(C)=O)(C(F)(F)F)[*:1]
CCSc1nnc(/C=C/c2ccccc2)o1 CCS[*:1] C(=C/c1nnc(o1)[*:1])\c1ccccc1
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1ccc(F)c(F)c1 Fc1ccc(cc1F)S[*:1] CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[*:1]
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CS[*:1]
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCOC1=O O=C(C[*:1])N1CCOC1=O c1ccc(cc1)-c1nnc(nc1-c1ccccc1)S[*:1]
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCOC1=O c1ccc(cc1)[*:1] O=C(CSc1nnc(c(n1)-c1ccccc1)[*:1])N1CCOC1=O
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCOC1=O O=C1OCCN1C(=O)[*:1] c1ccc(cc1)-c1nnc(nc1-c1ccccc1)SC[*:1]
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCOC1=O c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2)c(n1)[*:1])N1CCOC1=O
CC1(C)C(CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1(C)C c1ccc(cc1)[*:1] CC1(C)C(CNC(=O)C[C@@H]([NH3+])[*:1])C1(C)C
CC(C)Oc1cccnc1C(=O)NC[C@](C)(O)c1ccc(F)cc1F CC(C)O[*:1] C[C@](O)(CNC(=O)c1ncccc1[*:1])c1ccc(F)cc1F
CC(C)Oc1cccnc1C(=O)NC[C@](C)(O)c1ccc(F)cc1F CC(C)[*:1] C[C@](O)(CNC(=O)c1ncccc1O[*:1])c1ccc(F)cc1F
CC(C)Oc1cccnc1C(=O)NC[C@](C)(O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(C)Oc1cccnc1C(=O)NC[C@](C)(O)[*:1]
C/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)C1=C([O-])c2ccccc2C1=O c1ccc(cc1)[*:1] C/C(=N/NC(=O)c1ccc(cc1)[*:1])C1C(=O)c2ccccc2C=1[O-]
N#CCOc1cccc(NC(=O)COc2ccccc2)c1 N#CCO[*:1] O=C(COc1ccccc1)Nc1cccc(c1)[*:1]
N#CCOc1cccc(NC(=O)COc2ccccc2)c1 c1ccc(cc1)O[*:1] N#CCOc1cccc(c1)NC(=O)C[*:1]
N#CCOc1cccc(NC(=O)COc2ccccc2)c1 c1ccc(cc1)[*:1] N#CCOc1cccc(c1)NC(=O)CO[*:1]
N#CCOc1cccc(NC(=O)COc2ccccc2)c1 N#CC[*:1] O=C(COc1ccccc1)Nc1cccc(c1)O[*:1]
CCC[C@H](CC)N1CC(=O)N2CCC[C@@H]2C1=O CCC[*:1] CC[C@H](N1CC(=O)N2CCC[C@@H]2C1=O)[*:1]
Cc1nn(-c2ccc(C(=O)N(C)[C@H](C)c3ccncc3)cc2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] C[C@H](c1ccncc1)N(C)C(=O)c1ccc(cc1)[*:1]
Cc1nn(-c2ccc(C(=O)N(C)[C@H](C)c3ccncc3)cc2)c(C)c1Cl c1cc(ccn1)[*:1] Cc1nn(-c2ccc(cc2)C(=O)N(C)[C@H](C)[*:1])c(C)c1Cl
CCc1ccc(O[C@@H](C)C(=O)N2CCN(CN3CCCCC3=O)CC2)cc1 O=C1CCCCN1[*:1] CCc1ccc(cc1)O[C@@H](C)C(=O)N1CCN(CC1)C[*:1]
CCc1ccc(O[C@@H](C)C(=O)N2CCN(CN3CCCCC3=O)CC2)cc1 O=C1CCCCN1C[*:1] CCc1ccc(cc1)O[C@@H](C)C(=O)N1CCN(CC1)[*:1]
CCc1ccc(O[C@@H](C)C(=O)N2CCN(CN3CCCCC3=O)CC2)cc1 CCc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)CN1CCCCC1=O
CCc1ccc(O[C@@H](C)C(=O)N2CCN(CN3CCCCC3=O)CC2)cc1 CCc1ccc(cc1)O[*:1] C[C@@H](C(=O)N1CCN(CC1)CN1CCCCC1=O)[*:1]
C1=C[C@@H]([NH+]2CCN(c3ncccn3)CC2)CCC1 c1cnc(nc1)[*:1] C1=C[C@H](CCC1)[NH+]1CCN(CC1)[*:1]
Cc1ccccc1CC1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)C1 Cc1ccccc1[*:1] O=C1COc2ccc(cc2N1)C(=O)N1CC(C1)C[*:1]
Cc1ccccc1CC1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)C1 Cc1ccccc1C[*:1] O=C1COc2ccc(cc2N1)C(=O)N1CC(C1)[*:1]
Cc1nc2nc(SCC(=O)N3CCCC3)nn2c(C)c1Cc1ccccc1Cl Clc1ccccc1C[*:1] Cc1nc2nc(nn2c(C)c1[*:1])SCC(=O)N1CCCC1
Cc1nc2nc(SCC(=O)N3CCCC3)nn2c(C)c1Cc1ccccc1Cl O=C(C[*:1])N1CCCC1 Cc1nc2nc(nn2c(C)c1Cc1ccccc1Cl)S[*:1]
Cc1nc2nc(SCC(=O)N3CCCC3)nn2c(C)c1Cc1ccccc1Cl O=C(N1CCCC1)[*:1] Cc1nc2nc(nn2c(C)c1Cc1ccccc1Cl)SC[*:1]
Cc1nc2nc(SCC(=O)N3CCCC3)nn2c(C)c1Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1nc2nc(nn2c(C)c1C[*:1])SCC(=O)N1CCCC1
Cc1nc2nc(SCC(=O)N3CCCC3)nn2c(C)c1Cc1ccccc1Cl O=C(CS[*:1])N1CCCC1 Cc1nc2nc(nn2c(C)c1Cc1ccccc1Cl)[*:1]
Cc1sc2ncn([C@@H](C)[C@@H](C)C(=O)NN)c(=O)c2c1C NNC(=O)[*:1] Cc1sc2ncn(c(=O)c2c1C)[C@@H](C)[C@@H](C)[*:1]
CCC[C@H](C)NC(=O)c1ccc(Br)o1 CCC[*:1] C[C@H](NC(=O)c1ccc(Br)o1)[*:1]
Cc1ccc2cc(C(=O)NC[C@](C)(O)c3ccc(F)cc3)c(C)nc2c1 Fc1ccc(cc1)[*:1] Cc1ccc2cc(C(=O)NC[C@](C)(O)[*:1])c(C)nc2c1
CC[C@@H](C)N(C)C(=O)c1cccc(/C(N)=N/O)c1 CC[C@@H](C)[*:1] CN(C(=O)c1cccc(c1)/C(N)=N/O)[*:1]
CC[C@@H](C)N(C)C(=O)c1cccc(/C(N)=N/O)c1 N/C(=N\O)[*:1] CC[C@@H](C)N(C)C(=O)c1cccc(c1)[*:1]
O=C([O-])[C@H](Cc1ccccn1)c1ccc(F)cc1 c1ccc(nc1)[*:1] O=C([O-])[C@H](C[*:1])c1ccc(F)cc1
O=C([O-])[C@H](Cc1ccccn1)c1ccc(F)cc1 O=C([O-])[*:1] Fc1ccc(cc1)[C@@H](Cc1ccccn1)[*:1]
CCCCN1CC(=O)N2[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3[NH+]=c4ccccc4=C3C[C@@H]2C1=O CCC[*:1] COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@@H]2C(=O)N(CC(=O)N12)C[*:1]
CCCCN1CC(=O)N2[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3[NH+]=c4ccccc4=C3C[C@@H]2C1=O CCCC[*:1] COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@@H]2C(=O)N(CC(=O)N12)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2cccc(OC)c2OC)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1OC)[C@H]1Nc2nonc2NC2C[C@@H](CC(=O)C=21)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2cccc(OC)c2OC)cc1 COc1cccc(c1OC)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)Nc1nonc1N[C@H]2[*:1]
CC(C)n1nccc1NC(=O)N[C@H](C)CO C[C@H](CO)[*:1] CC(C)n1nccc1NC(=O)N[*:1]
CC(C)n1nccc1NC(=O)N[C@H](C)CO CC(C)[*:1] C[C@H](CO)NC(=O)Nc1ccnn1[*:1]
C[C@H](C(=O)NC1CCCC1)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] C[C@H](C(=O)NC1CCCC1)N1CCN(CC1)[*:1]
C[C@H](C(=O)NC1CCCC1)N1CCN(c2nccs2)CC1 C1CCC(C1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)c1nccs1
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCCCC[C@@H]1CC(C)C CC(C)C[*:1] Cc1ccc(cc1NC(=O)N1CCCCC[C@H]1[*:1])C(=O)NC1CC1
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCCCC[C@@H]1CC(C)C O=C(NC1CC1)[*:1] Cc1ccc(cc1NC(=O)N1CCCCC[C@@H]1CC(C)C)[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCCCC[C@@H]1CC(C)C C1CC1[*:1] Cc1ccc(cc1NC(=O)N1CCCCC[C@@H]1CC(C)C)C(=O)N[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCCCC[C@@H]1CC(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)N1CCCCC[C@@H]1C[*:1])C(=O)NC1CC1
CCC[NH2+][C@H](C)c1ccccc1O[C@@H]1CCC[C@H](C)C1 CCC[*:1] C[C@H]1CCC[C@H](C1)Oc1ccccc1[C@@H](C)[NH2+][*:1]
Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2CCc2cc(=O)[nH]cn2)n1 Cc1cc(C)n(C[*:1])n1 O=c1cc(CCn2c[nH+]c(-c3ccccc3)c2C[*:1])nc[nH]1
Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2CCc2cc(=O)[nH]cn2)n1 O=c1cc(nc[nH]1)[*:1] Cc1cc(C)n(CCc2c([nH+]cn2CC[*:1])-c2ccccc2)n1
Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2CCc2cc(=O)[nH]cn2)n1 Cc1cc(C)n(n1)[*:1] O=c1cc(CCn2c[nH+]c(-c3ccccc3)c2CC[*:1])nc[nH]1
Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2CCc2cc(=O)[nH]cn2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CCc2c([nH+]cn2CCc2cc(=O)[nH]cn2)[*:1])n1
Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2CCc2cc(=O)[nH]cn2)n1 O=c1cc(C[*:1])nc[nH]1 Cc1cc(C)n(CCc2c([nH+]cn2C[*:1])-c2ccccc2)n1
Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2CCc2cc(=O)[nH]cn2)n1 Cc1cc(C)n(CC[*:1])n1 O=c1cc(CCn2c[nH+]c(-c3ccccc3)c2[*:1])nc[nH]1
Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2CCc2cc(=O)[nH]cn2)n1 O=c1cc(CC[*:1])nc[nH]1 Cc1cc(C)n(CCc2c([nH+]cn2[*:1])-c2ccccc2)n1
Cn1nc(C(=O)NCCc2ccccc2)c2c1-c1ccccc1SC2 c1ccc(cc1)CC[*:1] Cn1nc(C(=O)N[*:1])c2CSc3ccccc3-c21
Cn1nc(C(=O)NCCc2ccccc2)c2c1-c1ccccc1SC2 c1ccc(cc1)[*:1] Cn1nc(C(=O)NCC[*:1])c2CSc3ccccc3-c21
Cn1nc(C(=O)NCCc2ccccc2)c2c1-c1ccccc1SC2 c1ccc(cc1)C[*:1] Cn1nc(C(=O)NC[*:1])c2CSc3ccccc3-c21
CCc1cnc(NC(=O)CNC(=O)c2ccc(F)cc2F)s1 CCc1cnc(s1)[*:1] O=C(CNC(=O)c1ccc(F)cc1F)N[*:1]
CCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)C(=O)[O-] CCC[*:1] C[C@H]([NH2+][C@H](C)[C@@H](C)C(=O)[O-])C(=O)N[*:1]
CCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] CCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)[*:1]
C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(Br)cc1 C=CC[*:1] O=C(CSc1nnc(-c2ccc(Br)cc2)n1[*:1])N1CCCCC1
C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(Br)cc1 O=C(N1CCCCC1)[*:1] C=CCn1c(nnc1-c1ccc(Br)cc1)SC[*:1]
C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)N1CCCCC1
CC[C@H](C(N)=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CC[C@H](C(N)=O)N1CCN(CC1)[C@@H](C)[*:1]
CC[C@H](C(N)=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 CC[C@H](C(N)=O)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)[*:1]
CC[C@H](C(N)=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 NC(=O)[*:1] CC[C@H](N1CCN(CC1)[C@@H](C)C(=O)N1CCCC1)[*:1]
O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(C=C[*:1])C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)cc1
O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)cc1 C(=C[*:1])c1ccccc1 O=C1C(O)=C(C(=O)[*:1])[C@@H](c2ccc(Cl)cc2)N1CCO
O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)cc1 OCC[*:1] O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N([C@@H]1c1ccc(Cl)cc1)[*:1]
O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@H]1[*:1]
O=C(N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12)C1CC1 O=C(N[*:1])C1CC1 c1ccc(cc1)CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2[*:1]
O=C(N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12)C1CC1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[*:1])C1CC1
O=C(N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12)C1CC1 c1ccc(cc1)[*:1] O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC[*:1])C1CC1
O=C(N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12)C1CC1 C1CC1[*:1] O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NCCN(C)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCCN(C)C(=O)O[*:1]
CCCCn1nccc1NC(=O)c1ccccc1C(F)(F)F CCCC[*:1] O=C(Nc1ccnn1[*:1])c1ccccc1C(F)(F)F
CCCCn1nccc1NC(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] CCCCn1nccc1NC(=O)c1ccccc1[*:1]
CCCCn1nccc1NC(=O)c1ccccc1C(F)(F)F CCC[*:1] O=C(Nc1ccnn1C[*:1])c1ccccc1C(F)(F)F
Cc1c(F)cccc1NC(=O)N(C)C[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)N(C)C[C@@H](C)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCl ClCC[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCl CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])C(=O)NCCCl
COc1cc(OC)cc(N2C[C@H](C(=O)NCc3ccoc3C)CC2=O)c1 Cc1occc1C[*:1] COc1cc(cc(c1)N1C[C@@H](CC1=O)C(=O)N[*:1])OC
COc1cc(OC)cc(N2C[C@H](C(=O)NCc3ccoc3C)CC2=O)c1 Cc1occc1[*:1] COc1cc(cc(c1)N1C[C@@H](CC1=O)C(=O)NC[*:1])OC
Cc1cc(F)c([C@](C)(NC2CCCC2)C(N)=O)cc1F C1CCC(C1)N[*:1] Cc1cc(F)c(cc1F)[C@](C)(C(N)=O)[*:1]
Cc1cc(F)c([C@](C)(NC2CCCC2)C(N)=O)cc1F NC(=O)[*:1] Cc1cc(F)c(cc1F)[C@](C)(NC1CCCC1)[*:1]
Cc1cc(F)c([C@](C)(NC2CCCC2)C(N)=O)cc1F C1CCC(C1)[*:1] Cc1cc(F)c(cc1F)[C@](C)(N[*:1])C(N)=O
CC(=O)N1CC[C@@H](C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)C1 c1ccc(cc1)[*:1] CC(=O)N1CC[C@H](C1)C(=O)N(C[C@@H](O)c1cccs1)C[*:1]
CC(=O)N1CC[C@@H](C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)C1 O[C@H](C[*:1])c1cccs1 CC(=O)N1CC[C@H](C1)C(=O)N(Cc1ccccc1)[*:1]
CC(=O)N1CC[C@@H](C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)C1 CC(=O)N1CC[C@@H](C1)[*:1] O=C(N(Cc1ccccc1)C[C@@H](O)c1cccs1)[*:1]
CC(=O)N1CC[C@@H](C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)C1 c1csc(c1)[*:1] CC(=O)N1CC[C@H](C1)C(=O)N(Cc1ccccc1)C[C@@H](O)[*:1]
CC(=O)N1CC[C@@H](C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)C1 c1ccc(cc1)C[*:1] CC(=O)N1CC[C@H](C1)C(=O)N(C[C@@H](O)c1cccs1)[*:1]
O=C(c1ccoc1)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 c1ccc(cc1)[*:1] O=C(c1ccoc1)N1CCN(CC1)c1ncnc2scc(c12)[*:1]
O=C(c1ccoc1)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 c1cc(co1)[*:1] O=C(N1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)[*:1]
Cc1nc2cc(C(=O)N[C@@H](CO)c3ccco3)ccc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2cc(ccc2n1[*:1])C(=O)N[C@@H](CO)c1ccco1
Cc1nc2cc(C(=O)N[C@@H](CO)c3ccco3)ccc2n1-c1ccccc1 c1coc(c1)[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)N[C@@H](CO)[*:1]
CCc1cccc(S(=O)(=O)NCCCS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] CCc1cccc(c1)S(=O)(=O)NCC[*:1]
CCc1cccc(S(=O)(=O)NCCCS(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCc1cccc(c1)S(=O)(=O)NCCC[*:1]
CCc1cccc(S(=O)(=O)NCCCS(C)(=O)=O)c1 CS(=O)(=O)CC[*:1] CCc1cccc(c1)S(=O)(=O)NC[*:1]
CCN(CC)C(=O)C1=CC(c2ccccc2OC)=NS(=O)(=O)N1C COc1ccccc1[*:1] CCN(CC)C(=O)C1=CC(=NS(=O)(=O)N1C)[*:1]
CCN(CC)C(=O)C1=CC(c2ccccc2OC)=NS(=O)(=O)N1C CCN(CC)C(=O)[*:1] COc1ccccc1C1C=C(N(C)S(=O)(=O)N=1)[*:1]
CC[C@@H]1CN(CC(=O)NCc2ccco2)CCO1 c1coc(c1)[*:1] CC[C@@H]1CN(CCO1)CC(=O)NC[*:1]
CC[C@@H]1CN(CC(=O)NCc2ccco2)CCO1 c1coc(c1)C[*:1] CC[C@@H]1CN(CCO1)CC(=O)N[*:1]
CC[NH2+][C@@H](CSC(C)C)[C@@H]1CCOC2(CCSCC2)C1 CC(C)SC[*:1] CC[NH2+][C@@H]([C@@H]1CCOC2(CCSCC2)C1)[*:1]
CC[NH2+][C@@H](CSC(C)C)[C@@H]1CCOC2(CCSCC2)C1 CC(C)S[*:1] CC[NH2+][C@@H](C[*:1])[C@@H]1CCOC2(CCSCC2)C1
CC[NH2+][C@@H](CSC(C)C)[C@@H]1CCOC2(CCSCC2)C1 CC(C)[*:1] CC[NH2+][C@@H](CS[*:1])[C@@H]1CCOC2(CCSCC2)C1
COC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(OC2CCCC2)c1 C1CCC(C1)O[*:1] COC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(c1)[*:1]
COC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(OC2CCCC2)c1 COC(=O)[*:1] CC1NC(=S)N[C@H](C=1[*:1])c1cccc(c1)OC1CCCC1
COC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(OC2CCCC2)c1 C1CCC(C1)[*:1] COC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(c1)O[*:1]
CO[C@@H]1CCC[C@H](C(=O)NCCn2ncc(-c3cc(C)no3)c2C2CC2)C1 C1CC1[*:1] CO[C@@H]1CCC[C@@H](C1)C(=O)NCCn1ncc(-c2cc(C)no2)c1[*:1]
CO[C@@H]1CCC[C@H](C(=O)NCCn2ncc(-c3cc(C)no3)c2C2CC2)C1 Cc1cc(on1)[*:1] CO[C@@H]1CCC[C@@H](C1)C(=O)NCCn1ncc(c1C1CC1)[*:1]
C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](Nc1nc2cc(ccc2[nH]1)[N+](=O)[O-])[*:1]
C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccsc1 O=[N+]([O-])[*:1] C[C@@H](Nc1nc2cc(ccc2[nH]1)[*:1])c1ccsc1
C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 O=C([O-])[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(c(Cl)c1)[*:1]
C[C@H](c1ccncc1)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 Clc1ccc(cc1Cl)[*:1] C[C@H](c1ccncc1)N(C)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@H](c1ccncc1)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 c1cc(ccn1)[*:1] C[C@H](N(C)C(=O)[C@H]1CCCN(C1)C(=O)c1ccc(Cl)c(Cl)c1)[*:1]
C[C@H](c1ccncc1)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 C[C@H](c1ccncc1)[*:1] CN(C(=O)[C@H]1CCCN(C1)C(=O)c1ccc(Cl)c(Cl)c1)[*:1]
O=C(CSc1ccnc(C(=O)[O-])c1)NC[C@@H]1CCCO1 O=C([O-])[*:1] O=C(CSc1ccnc(c1)[*:1])NC[C@@H]1CCCO1
O=C(CSc1ccnc(C(=O)[O-])c1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(CSc1ccnc(c1)C(=O)[O-])NC[*:1]
O=C(CSc1ccnc(C(=O)[O-])c1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(CSc1ccnc(c1)C(=O)[O-])N[*:1]
COCC[C@H](C)C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C CC(C)(C)[*:1] COCC[C@H](C)C(=O)NC[C@H]1CCO[C@H]1[*:1]
COCC[C@H](C)C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C COC[*:1] C[C@@H](C[*:1])C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C
COCC[C@H](C)C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C COCC[*:1] C[C@H](C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)[*:1]
COCC[C@H](C)C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C COCC[C@H](C)[*:1] CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[*:1]
CN(C(=O)CCS(=O)(=O)c1ncccc1Cl)c1ccccc1 Clc1cccnc1[*:1] CN(C(=O)CCS(=O)(=O)[*:1])c1ccccc1
CN(C(=O)CCS(=O)(=O)c1ncccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CCS(=O)(=O)c1ncccc1Cl)[*:1]
CNc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)n[nH+]1 c1ccc(C[*:1])nc1 CNc1ccc(n[nH+]1)-c1cc(nc2[nH]ccc12)N[*:1]
CNc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)n[nH+]1 c1ccc(nc1)[*:1] CNc1ccc(n[nH+]1)-c1cc(nc2[nH]ccc12)NC[*:1]
CNc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)n[nH+]1 c1ccc(CN[*:1])nc1 CNc1ccc(n[nH+]1)-c1cc(nc2[nH]ccc12)[*:1]
CC(C)[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1 CC(C)[*:1] C[C@@H]([NH2+][C@H](c1ccccc1)[*:1])C1CC1
CC(C)[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1 C1CC1[*:1] CC(C)[C@H]([NH2+][C@H](C)[*:1])c1ccccc1
CCc1cnc(CCNC(=O)N2CCc3cc(C)ccc32)s1 CCc1cnc(s1)[*:1] Cc1ccc2c(c1)CCN2C(=O)NCC[*:1]
CCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 CCO[*:1] Cc1cc(c(cc1C)[*:1])S(=O)(=O)NCc1ccc2OCOc2c1
Cc1cc(C)n(CC(=O)N2CCCCC[C@H]2c2cccn2C)n1 Cc1cc(C)n(n1)[*:1] Cn1cccc1[C@@H]1CCCCCN1C(=O)C[*:1]
Cc1cc(C)n(CC(=O)N2CCCCC[C@H]2c2cccn2C)n1 Cn1cccc1[*:1] Cc1cc(C)n(CC(=O)N2CCCCC[C@@H]2[*:1])n1
CNC(=O)Cc1ccc(NC(=O)Nc2ccccc2OCC2CC2)cc1 C1CC1C[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)Nc1ccccc1O[*:1]
CNC(=O)Cc1ccc(NC(=O)Nc2ccccc2OCC2CC2)cc1 CNC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1ccccc1OCC1CC1
CNC(=O)Cc1ccc(NC(=O)Nc2ccccc2OCC2CC2)cc1 C1CC1CO[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)Nc1ccccc1[*:1]
CNC(=O)Cc1ccc(NC(=O)Nc2ccccc2OCC2CC2)cc1 C1CC1[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)Nc1ccccc1OC[*:1]
CNC(=O)Cc1ccc(NC(=O)Nc2ccccc2OCC2CC2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])Nc1ccccc1OCC1CC1
Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1nc2ccccc2c(=O)n1CC[*:1]
O=C([O-])c1ccc(C(F)(F)F)nc1SC1CCOCC1 FC(F)(F)[*:1] O=C([O-])c1ccc(nc1SC1CCOCC1)[*:1]
O=C([O-])c1ccc(C(F)(F)F)nc1SC1CCOCC1 C1CC(CCO1)[*:1] O=C([O-])c1ccc(nc1S[*:1])C(F)(F)F
O=C([O-])c1ccc(C(F)(F)F)nc1SC1CCOCC1 O=C([O-])[*:1] FC(F)(F)c1ccc(c(n1)SC1CCOCC1)[*:1]
[NH3+][C@H]1CCCCC[C@H]1C[NH2+]C[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] [NH3+][C@H]1CCCCC[C@H]1C[NH2+]C[*:1]
Cn1cc(CNC(=O)Cn2ccc(C(=O)[O-])n2)cn1 Cn1cc(cn1)[*:1] O=C(Cn1ccc(n1)C(=O)[O-])NC[*:1]
Cn1cc(CNC(=O)Cn2ccc(C(=O)[O-])n2)cn1 O=C([O-])[*:1] Cn1cc(cn1)CNC(=O)Cn1ccc(n1)[*:1]
CC(C)(C)Oc1cc(CNC(=O)N[C@H]2CCCC[C@@H]2CO)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])N[C@H]1CCCC[C@@H]1CO
CC(C)(C)Oc1cc(CNC(=O)N[C@H]2CCCC[C@@H]2CO)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])N[C@H]1CCCC[C@@H]1CO
CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)[C@H](C)S(C)(=O)=O)nc12 CS(=O)(=O)[*:1] CC(C)c1cccc2sc(nc12)N(Cc1ccccc1)C(=O)[C@H](C)[*:1]
CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)[C@H](C)S(C)(=O)=O)nc12 c1ccc(cc1)[*:1] CC(C)c1cccc2sc(nc12)N(C[*:1])C(=O)[C@H](C)S(C)(=O)=O
CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)[C@H](C)S(C)(=O)=O)nc12 CC(C)[*:1] C[C@@H](C(=O)N(Cc1ccccc1)c1nc2c(cccc2s1)[*:1])S(C)(=O)=O
CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)[C@H](C)S(C)(=O)=O)nc12 c1ccc(cc1)C[*:1] CC(C)c1cccc2sc(nc12)N(C(=O)[C@H](C)S(C)(=O)=O)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H]1CCCC[C@H]1NC(=O)N(C)C[*:1]
C[C@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H]1CCCC[C@H]1NC(=O)N(C)[*:1]
S=C(Nc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)Cc1ccco1 Clc1ccc(cc1)[*:1] S=C(Nc1cccc(Cl)c1)N(Cc1ccco1)C[*:1]
S=C(Nc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)Cc1ccco1 c1coc(c1)C[*:1] S=C(Nc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)[*:1]
S=C(Nc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)Cc1ccco1 c1coc(c1)[*:1] S=C(Nc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)C[*:1]
S=C(Nc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)Cc1ccco1 Clc1ccc(cc1)C[*:1] S=C(Nc1cccc(Cl)c1)N(Cc1ccco1)[*:1]
S=C(Nc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)Cc1ccco1 Clc1cccc(c1)[*:1] S=C(N[*:1])N(Cc1ccc(Cl)cc1)Cc1ccco1
CC(C)(C)[C@H](C#N)NC(=O)c1cnc(-c2ccoc2)s1 c1cc(co1)[*:1] CC(C)(C)[C@H](C#N)NC(=O)c1cnc(s1)[*:1]
CC(C)(C)[C@H](C#N)NC(=O)c1cnc(-c2ccoc2)s1 CC(C)(C)[*:1] N#C[C@H](NC(=O)c1cnc(s1)-c1ccoc1)[*:1]
Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2occc2C)cc1 Cc1ccoc1[*:1] Cc1ccc(cc1)[C@H](C)[NH2+]CCCNC(=O)[*:1]
Cc1ccc([C@H](C)[NH2+]CCCNC(=O)c2occc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)[*:1]
CCN(CCNS(C)(=O)=O)c1cccc(C)c1 CS(=O)(=O)N[*:1] CCN(CC[*:1])c1cccc(C)c1
Cc1cccc(C2(C(=O)Nc3ncccn3)CCC2)c1 c1cnc(nc1)[*:1] Cc1cccc(c1)C1(CCC1)C(=O)N[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)/C([O-])=N/S(=O)(=O)C1CCCC1 C1CCC(C1)[*:1] CC[C@@H](C)[C@H](NC(=O)c1ccccc1)/C([O-])=N/S(=O)(=O)[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)/C([O-])=N/S(=O)(=O)C1CCCC1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@H](NC(=O)[*:1])/C([O-])=N/S(=O)(=O)C1CCCC1
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)/C([O-])=N/S(=O)(=O)C1CCCC1 CC[C@@H](C)[*:1] O=C(N[C@H](/C([O-])=N/S(=O)(=O)C1CCCC1)[*:1])c1ccccc1
CSC(C)(C)CNC(=O)C1CCN(C(=O)N2CCCC2)CC1 CSC(C)(C)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)N1CCCC1
CSC(C)(C)CNC(=O)C1CCN(C(=O)N2CCCC2)CC1 CSC(C)(C)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)N1CCCC1
COCCOc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1 COC[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1cc(F)c(Cl)nc1Cl
COCCOc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1 COCC[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cc(F)c(Cl)nc1Cl
COCCOc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1 COCCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(F)c(Cl)nc1Cl
Cc1cc(C(=O)NCc2nc(C3CCCCC3)no2)c(=O)[nH]c1C C1CCC(CC1)[*:1] Cc1cc(C(=O)NCc2nc(no2)[*:1])c(=O)[nH]c1C
COC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 COC(=O)N[*:1] C[C@H](NC(=O)Nc1cccc(c1)[*:1])c1cc2ccccc2o1
Cc1cc(C)n2nc(C(=O)N3CCC(CC(N)=O)CC3)nc2n1 NC(=O)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N1CCC(CC1)C[*:1]
Cc1cc(C)n2nc(C(=O)N3CCC(CC(N)=O)CC3)nc2n1 NC(=O)C[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N1CCC(CC1)[*:1]
Cc1ncccc1NC(=O)N[C@H](C)c1cc2ccccc2o1 Cc1ncccc1[*:1] C[C@@H](NC(=O)N[*:1])c1cc2ccccc2o1
CCn1cc(-c2cc(C(=O)N3CCC[C@@H]3Cc3cccnc3)c3ccccc3n2)cn1 c1cncc(c1)C[*:1] CCn1cc(cn1)-c1cc(C(=O)N2CCC[C@H]2[*:1])c2ccccc2n1
CCn1cc(-c2cc(C(=O)N3CCC[C@@H]3Cc3cccnc3)c3ccccc3n2)cn1 CCn1cc(cn1)[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCC[C@@H]1Cc1cccnc1
CCn1cc(-c2cc(C(=O)N3CCC[C@@H]3Cc3cccnc3)c3ccccc3n2)cn1 c1cncc(c1)[*:1] CCn1cc(cn1)-c1cc(C(=O)N2CCC[C@@H]2C[*:1])c2ccccc2n1
COC(=O)c1cc(-c2ccc(C(=O)[O-])nc2)cs1 O=C([O-])[*:1] COC(=O)c1cc(cs1)-c1ccc(nc1)[*:1]
COC(=O)c1cc(-c2ccc(C(=O)[O-])nc2)cs1 COC(=O)[*:1] O=C([O-])c1ccc(cn1)-c1csc(c1)[*:1]
CNC(=O)CC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 CNC(=O)C[*:1] CC1(C)Cc2cccc(C[NH+]3CCC(CC3)[*:1])c2O1
CNC(=O)CC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 CNC(=O)[*:1] CC1(C)Cc2cccc(C[NH+]3CCC(CC3)C[*:1])c2O1
CCn1ccc2ccc(NC(=O)C(=O)NCc3ncn(C)n3)cc21 Cn1cnc(C[*:1])n1 CCn1ccc2ccc(cc21)NC(=O)C(=O)N[*:1]
CCn1ccc2ccc(NC(=O)C(=O)NCc3ncn(C)n3)cc21 Cn1cnc(n1)[*:1] CCn1ccc2ccc(cc21)NC(=O)C(=O)NC[*:1]
Cc1cccc(OCc2ccc(C(N)=S)cc2)c1 NC(=S)[*:1] Cc1cccc(c1)OCc1ccc(cc1)[*:1]
CC(C)N(C(=O)CSCc1ccc(C(N)=O)cc1)c1ccccc1 NC(=O)[*:1] CC(C)N(C(=O)CSCc1ccc(cc1)[*:1])c1ccccc1
CC(C)N(C(=O)CSCc1ccc(C(N)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)CSCc1ccc(cc1)C(N)=O)[*:1]
CC(C)N(C(=O)CSCc1ccc(C(N)=O)cc1)c1ccccc1 CC(C)[*:1] NC(=O)c1ccc(cc1)CSCC(=O)N(c1ccccc1)[*:1]
O=C(CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(CSc1nc2sc3CCCCc3c2c(=O)n1C[*:1])NC[C@@H]1CCCO1
O=C(CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(CSc1nc2sc3CCCCc3c2c(=O)n1C[C@@H]1CCCO1)NC[*:1]
O=C(CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)NC[C@@H]1CCCO1 O=C(C[*:1])NC[C@@H]1CCCO1 O=c1c2c3CCCCc3sc2nc(S[*:1])n1C[C@@H]1CCCO1
O=C(CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(CSc1nc2sc3CCCCc3c2c(=O)n1C[C@@H]1CCCO1)N[*:1]
O=C(CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)NC[C@@H]1CCCO1 O=C(NC[C@@H]1CCCO1)[*:1] O=c1c2c3CCCCc3sc2nc(SC[*:1])n1C[C@@H]1CCCO1
O=C(CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(CSc1nc2sc3CCCCc3c2c(=O)n1[*:1])NC[C@@H]1CCCO1
CCOc1ccccc1NC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 Clc1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)N1CCN(CC1)Cc1nc(cs1)[*:1]
CCOc1ccccc1NC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 CCOc1ccccc1[*:1] O=C(N[*:1])N1CCN(CC1)Cc1nc(cs1)-c1ccc(Cl)cc1
CCOc1ccccc1NC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 CCO[*:1] O=C(Nc1ccccc1[*:1])N1CCN(CC1)Cc1nc(cs1)-c1ccc(Cl)cc1
COC(=O)c1sc(NC(=O)c2cccc(N(C)C)c2)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)c1cccc(c1)N(C)C
COC(=O)c1sc(NC(=O)c2cccc(N(C)C)c2)nc1C1CC1 COC(=O)[*:1] CN(C)c1cccc(c1)C(=O)Nc1nc(c(s1)[*:1])C1CC1
COC(=O)c1sc(NC(=O)c2cccc(N(C)C)c2)nc1C1CC1 CN(C)[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)c1cccc(c1)[*:1]
COc1ccc(-c2nc(CO/N=C/c3ccc(Br)cc3)no2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(CON=C[*:1])no1
COc1ccc(-c2nc(CO/N=C/c3ccc(Br)cc3)no2)cc1 COc1ccc(cc1)[*:1] Brc1ccc(/C=N/OCc2noc(n2)[*:1])cc1
CSCCSCc1noc(-c2ccc(Cl)cc2)n1 CSCCS[*:1] Clc1ccc(cc1)-c1nc(C[*:1])no1
CSCCSCc1noc(-c2ccc(Cl)cc2)n1 CSCC[*:1] Clc1ccc(cc1)-c1nc(CS[*:1])no1
CSCCSCc1noc(-c2ccc(Cl)cc2)n1 CSCCSC[*:1] Clc1ccc(cc1)-c1nc(no1)[*:1]
CSCCSCc1noc(-c2ccc(Cl)cc2)n1 CSC[*:1] Clc1ccc(cc1)-c1nc(CSC[*:1])no1
C[C@H](CNC(=O)Cc1c[nH]c2cc(F)ccc12)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@H](CNC(=O)Cc1c[nH]c2cc(F)ccc12)[*:1]
C[C@H](CNC(=O)Cc1c[nH]c2cc(F)ccc12)Oc1ccccc1F Fc1ccccc1[*:1] C[C@H](CNC(=O)Cc1c[nH]c2cc(F)ccc12)O[*:1]
C[C@H](NC(=O)NCc1ccncc1)c1cccc(OC(F)F)c1 c1cc(ccn1)[*:1] C[C@H](NC(=O)NC[*:1])c1cccc(c1)OC(F)F
C[C@H](NC(=O)NCc1ccncc1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H](NC(=O)NCc1ccncc1)c1cccc(c1)[*:1]
C[C@H](NC(=O)NCc1ccncc1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H](NC(=O)NCc1ccncc1)c1cccc(c1)O[*:1]
C[C@H](NC(=O)NCc1ccncc1)c1cccc(OC(F)F)c1 c1cc(ccn1)C[*:1] C[C@H](NC(=O)N[*:1])c1cccc(c1)OC(F)F
Cc1cccn2cc(C(=O)N3CCO[C@H](C(=O)Nc4ccccc4)C3)nc12 c1ccc(cc1)[*:1] Cc1cccn2cc(nc12)C(=O)N1CCO[C@@H](C1)C(=O)N[*:1]
Cc1cccn2cc(C(=O)N3CCO[C@H](C(=O)Nc4ccccc4)C3)nc12 O=C(Nc1ccccc1)[*:1] Cc1cccn2cc(nc12)C(=O)N1CCO[C@H](C1)[*:1]
Cn1cc(C(=O)/C=C/c2ccc(COc3ccc(F)cc3Cl)o2)cn1 Cn1cc(cn1)[*:1] O=C(/C=C/c1ccc(COc2ccc(F)cc2Cl)o1)[*:1]
Cn1cc(C(=O)/C=C/c2ccc(COc3ccc(F)cc3Cl)o2)cn1 Cn1cc(cn1)C(=O)[*:1] Fc1ccc(OCc2ccc(C=C[*:1])o2)c(Cl)c1
Cn1cc(C(=O)/C=C/c2ccc(COc3ccc(F)cc3Cl)o2)cn1 Fc1ccc(c(Cl)c1)[*:1] Cn1cc(cn1)C(=O)/C=C/c1ccc(CO[*:1])o1
C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(N)cc1 Nc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc2OCOc2c1)[*:1]
COc1ccc(Cl)cc1CSCCC(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccc(Cl)cc1CSCCC(=O)N[*:1]
COc1cc2c(cc1OC)CN(C(=O)CCSCc1ccccn1)CC2 c1ccc(CS[*:1])nc1 COc1cc2CCN(Cc2cc1OC)C(=O)CC[*:1]
COc1cc2c(cc1OC)CN(C(=O)CCSCc1ccccn1)CC2 c1ccc(C[*:1])nc1 COc1cc2CCN(Cc2cc1OC)C(=O)CCS[*:1]
COc1cc2c(cc1OC)CN(C(=O)CCSCc1ccccn1)CC2 c1ccc(nc1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CCSC[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)c1 CN(C)S(=O)(=O)[*:1] O=C(c1cc(ccc1Cl)[*:1])N1C[C@H]2CCCC[C@]21c1ccccc1
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1C[C@H]2CCCC[C@]21[*:1]
C[NH+]1CCC(CNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1 CC(C)(C)[*:1] C[NH+]1CCC(CC1)CNC(=O)CC1CN(C1)C(=O)O[*:1]
C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(OCC)c1 C#CC[*:1] CCOc1cc(ccc1OC)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(OCC)c1 CCO[*:1] C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(c1)[*:1]
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)C[C@H]2OC(=O)c3ccccc32)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(NC(=O)C[C@H]2OC(=O)c3ccccc32)n(n1)[*:1]
COc1cc(CO)ccc1O[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] COc1cc(ccc1O[C@@H]1CCC[C@@H](C1)[*:1])CO
Cc1csc(-c2cccc(NCC(=O)NCC(F)(F)F)c2)n1 FC(F)(F)[*:1] Cc1csc(n1)-c1cccc(c1)NCC(=O)NC[*:1]
Cc1csc(-c2cccc(NCC(=O)NCC(F)(F)F)c2)n1 Cc1csc(n1)[*:1] O=C(CNc1cccc(c1)[*:1])NCC(F)(F)F
Cc1csc(-c2cccc(NCC(=O)NCC(F)(F)F)c2)n1 FC(F)(F)C[*:1] Cc1csc(n1)-c1cccc(c1)NCC(=O)N[*:1]
COC(C)(C)[C@H]([NH3+])c1ccc(F)cc1F COC(C)(C)[*:1] [NH3+][C@H](c1ccc(F)cc1F)[*:1]
Cc1c([O-])nn(Cc2ccc(C(=O)NN)cn2)c(=O)c1C NNC(=O)[*:1] Cc1c([O-])nn(Cc2ccc(cn2)[*:1])c(=O)c1C
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(O)c3)ccc2O1 C1CN(CCO1)C[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(O)c1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(O)c3)ccc2O1 C1CN(CCO1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1cccc(O)c1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(O)c3)ccc2O1 Oc1cccc(c1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(O)c3)ccc2O1 C1CN(CCO1)CC[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(O)c1)[*:1]
CN(C[C@H](O)CN1CCOCC1)C(=O)/C=C/c1ccc(Cl)cc1 C1CN(CCO1)C[*:1] CN(C[C@H](O)[*:1])C(=O)/C=C/c1ccc(Cl)cc1
CN(C[C@H](O)CN1CCOCC1)C(=O)/C=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(C[C@H](O)CN1CCOCC1)C(=O)C=C[*:1]
CN(C[C@H](O)CN1CCOCC1)C(=O)/C=C/c1ccc(Cl)cc1 C1CN(CCO1)[*:1] CN(C[C@H](O)C[*:1])C(=O)/C=C/c1ccc(Cl)cc1
Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)s1 Cc1ccc(s1)[*:1] C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)[*:1]
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cccc[nH+]2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1Cl)[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O Fc1ccc(cc1)[*:1] O=C(CN[C@H](c1cccs1)[*:1])NN1C(=O)NC2(CCCCC2)C1=O
O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O c1csc(c1)[*:1] O=C(CN[C@H](c1ccc(F)cc1)[*:1])NN1C(=O)NC2(CCCCC2)C1=O
CCCCN(C(=O)c1ncn(-c2ccccc2)n1)[C@@H](C)CC c1ccc(cc1)[*:1] CCCCN(C(=O)c1ncn(n1)[*:1])[C@@H](C)CC
CCCCN(C(=O)c1ncn(-c2ccccc2)n1)[C@@H](C)CC CCCC[*:1] CC[C@H](C)N(C(=O)c1ncn(n1)-c1ccccc1)[*:1]
CCCCN(C(=O)c1ncn(-c2ccccc2)n1)[C@@H](C)CC CC[C@H](C)[*:1] CCCCN(C(=O)c1ncn(n1)-c1ccccc1)[*:1]
CCCCN(C(=O)c1ncn(-c2ccccc2)n1)[C@@H](C)CC CCC[*:1] CC[C@H](C)N(C[*:1])C(=O)c1ncn(n1)-c1ccccc1
Cc1ccc(N2CCC(C(=O)NC3(C(N)=O)CCCC3)CC2)[nH+]c1 NC(=O)[*:1] Cc1ccc([nH+]c1)N1CCC(CC1)C(=O)NC1(CCCC1)[*:1]
Cc1ccc(N2CCC(C(=O)NC3(C(N)=O)CCCC3)CC2)[nH+]c1 NC(=O)C1(CCCC1)[*:1] Cc1ccc([nH+]c1)N1CCC(CC1)C(=O)N[*:1]
COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3cccc(F)c3)c3ccccc3S2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)[C@H]1CC(=O)N(CC(=O)N[*:1])c2ccccc2S1
COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3cccc(F)c3)c3ccccc3S2)cc1 COc1ccc(cc1)[*:1] O=C(CN1C(=O)C[C@@H](Sc2ccccc21)[*:1])Nc1cccc(F)c1
COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3cccc(F)c3)c3ccccc3S2)cc1 O=C(Nc1cccc(F)c1)[*:1] COc1ccc(cc1)[C@H]1CC(=O)N(C[*:1])c2ccccc2S1
O=[N+]([O-])c1cc(C[NH+]2CCC(Nc3ccccc3)CC2)ccc1O O=[N+]([O-])[*:1] Oc1ccc(cc1[*:1])C[NH+]1CCC(CC1)Nc1ccccc1
O=[N+]([O-])c1cc(C[NH+]2CCC(Nc3ccccc3)CC2)ccc1O c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1O)C[NH+]1CCC(CC1)N[*:1]
O=[N+]([O-])c1cc(C[NH+]2CCC(Nc3ccccc3)CC2)ccc1O c1ccc(cc1)N[*:1] O=[N+]([O-])c1cc(ccc1O)C[NH+]1CCC(CC1)[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 CC(C)[C@H](CO)[*:1] O=C([O-])c1cc(ccc1Cl)S(=O)(=O)N[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 CC(C)[*:1] O=C([O-])c1cc(ccc1Cl)S(=O)(=O)N[C@@H](CO)[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 O=C([O-])[*:1] CC(C)[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(c1)[*:1]
COc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)cc1OC Cc1cccc(c1C)[*:1] COc1ccc(cc1OC)C(=O)[C@@H]1CC(=O)Nc2c1c(C)nn2[*:1]
COc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)cc1OC COc1ccc(cc1OC)[*:1] Cc1cccc(c1C)-n1nc(C)c2c1NC(=O)C[C@H]2C(=O)[*:1]
CC[C@H](C)CN(C)C(=O)C1([NH3+])CCCCC1 CC[C@H](C)C[*:1] CN(C(=O)C1([NH3+])CCCCC1)[*:1]
CC[C@H](C)CN(C)C(=O)C1([NH3+])CCCCC1 CC[C@H](C)[*:1] CN(C[*:1])C(=O)C1([NH3+])CCCCC1
CSc1nc2ncnc(Oc3cccnc3)c2s1 c1cncc(c1)[*:1] CSc1nc2ncnc(O[*:1])c2s1
CC(C)COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccccc1OC[*:1]
CC(C)COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccccc1O[*:1]
CC(C)COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 CC(C)CO[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccccc1[*:1]
CC(C)COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] CC(C)COc1ccccc1C(=O)Nc1ccc(cc1)[*:1]
O=C(c1cccc(Oc2cnccn2)c1)N1CCC(n2cc[nH+]c2)CC1 c1cnc(cn1)O[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)n1cc[nH+]c1
O=C(c1cccc(Oc2cnccn2)c1)N1CCC(n2cc[nH+]c2)CC1 c1cnc(cn1)[*:1] O=C(c1cccc(c1)O[*:1])N1CCC(CC1)n1cc[nH+]c1
Cc1nc(-c2cccc(NC(=O)c3ccc(SC(F)F)cc3)c2)n[nH]1 FC(F)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)NC(=O)c1ccc(cc1)S[*:1]
Cc1nc(-c2cccc(NC(=O)c3ccc(SC(F)F)cc3)c2)n[nH]1 FC(F)S[*:1] Cc1nc(n[nH]1)-c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
Cc1nc(-c2cccc(NC(=O)c3ccc(SC(F)F)cc3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)SC(F)F
C[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CCC(=O)c1ccc2CCCc2c1)NC[*:1]
C[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)CCC(=O)c1ccc2CCCc2c1)[*:1]
CCC([NH3+])(CC)C(=O)Nc1ccc(C(=O)OC)cc1C COC(=O)[*:1] CCC([NH3+])(CC)C(=O)Nc1ccc(cc1C)[*:1]
C[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] C[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c(n1)[*:1]
C=CCOc1cc(C(=O)NC2CCCC2)cc2occc12 C=CCO[*:1] O=C(NC1CCCC1)c1cc(c2ccoc2c1)[*:1]
C=CCOc1cc(C(=O)NC2CCCC2)cc2occc12 C1CCC(C1)[*:1] C=CCOc1cc(cc2occc12)C(=O)N[*:1]
C=CCOc1cc(C(=O)NC2CCCC2)cc2occc12 C=CC[*:1] O=C(NC1CCCC1)c1cc(O[*:1])c2ccoc2c1
O=C(NCCn1nc(-c2cccs2)ccc1=O)c1ccc(Cl)c([N+](=O)[O-])c1 c1csc(c1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(NCCn1nc(-c2cccs2)ccc1=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCCn1nc(ccc1=O)-c1cccs1)c1ccc(Cl)c(c1)[*:1]
C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C[C@H](C)O1 Clc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1cc(C)cc(NC(=O)CN2CCN(c3c(C)n[nH]c3C)CC2)c1 Cc1n[nH]c(C)c1[*:1] Cc1cc(C)cc(c1)NC(=O)CN1CCN(CC1)[*:1]
Cc1cc(C)cc(NC(=O)CN2CCN(c3c(C)n[nH]c3C)CC2)c1 Cc1cc(C)cc(c1)[*:1] Cc1n[nH]c(C)c1N1CCN(CC1)CC(=O)N[*:1]
Cn1ccnc1COC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 Cn1ccnc1[*:1] O=C(OC[*:1])[C@@H]1C[C@H]1c1cccc(Cl)c1
Cc1ncc(CNC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)s1 Cc1ncc(s1)[*:1] C[C@]1(NC(=O)NC1=O)c1ccc(cc1)C(=O)NC[*:1]
Cc1ncc(CNC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)s1 Cc1ncc(C[*:1])s1 C[C@]1(NC(=O)NC1=O)c1ccc(cc1)C(=O)N[*:1]
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OCc1cnn(C)c1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)OCc1cnn(C)c1
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OCc1cnn(C)c1 Cn1cc(cn1)C[*:1] C[C@@H](Oc1ccc(cc1)-c1ccccc1)C(=O)O[*:1]
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OCc1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](Oc1ccc(cc1)-c1ccccc1)C(=O)OC[*:1]
COc1ccc2c(ccc[n+]2[C@H](C)C(=O)N[C@H](C)c2ccccc2C)c1 Cc1ccccc1[*:1] COc1ccc2c(ccc[n+]2[C@H](C)C(=O)N[C@H](C)[*:1])c1
Fc1cccc(N2CCCC2)c1NCc1nnc(C2CCC2)o1 C1CC(C1)[*:1] Fc1cccc(c1NCc1nnc(o1)[*:1])N1CCCC1
Fc1cccc(N2CCCC2)c1NCc1nnc(C2CCC2)o1 C1CCN(C1)[*:1] Fc1cccc(c1NCc1nnc(o1)C1CCC1)[*:1]
CN(C(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CN1CCN(CC1)c1ccccc1)[*:1]
CN(C(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CN1CCN(CC1)[*:1])c1ccccc1
CC(C)Oc1ccc(CNC(=O)c2ccc3[nH]cnc3c2)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)O[*:1])c1ccc2[nH]cnc2c1
CC(C)Oc1ccc(CNC(=O)c2ccc3[nH]cnc3c2)cc1 CC(C)O[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc2[nH]cnc2c1
CC(C)Oc1ccc(C(=O)/C=C/c2cccnc2)cc1 c1cncc(c1)[*:1] CC(C)Oc1ccc(cc1)C(=O)C=C[*:1]
CC(C)Oc1ccc(C(=O)/C=C/c2cccnc2)cc1 CC(C)O[*:1] O=C(/C=C/c1cccnc1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)/C=C/c2cccnc2)cc1 CC(C)[*:1] O=C(/C=C/c1cccnc1)c1ccc(cc1)O[*:1]
CC(=O)Nc1ccc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)C(=O)N[C@H](C)c1noc(n1)[*:1]
CC(=O)Nc1ccc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1 CC(=O)N[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1noc(Cc2ccccc2)n1
CC(=O)Nc1ccc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N[C@H](C)c1noc(C[*:1])n1
CC(=O)Nc1ccc(C(=O)CSc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)cc1 CC(=O)N[*:1] Cc1nc(SCC(=O)c2ccc(cc2)[*:1])c2c3CC[C@H](C)Cc3sc2n1
COc1ccc(-c2n[nH]cc2-c2nc3c([nH]2)CC(C)(C)CNC3=O)cc1 COc1ccc(cc1)[*:1] CC1(C)CNC(=O)c2nc([nH]c2C1)-c1c[nH]nc1[*:1]
C=CCn1c(SCCCC(C)=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(=O)[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SCCC[*:1]
C=CCn1c(SCCCC(C)=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(=O)CCCS[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)[*:1]
C=CCn1c(SCCCC(C)=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(=O)CC[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SC[*:1]
C=CCn1c(SCCCC(C)=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(=O)CCC[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)S[*:1]
C=CCn1c(SCCCC(C)=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(=O)C[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SCC[*:1]
C=CCn1c(SCCCC(C)=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 C=CC[*:1] CC(=O)CCCSc1nc2sc3C[C@H](C)CCc3c2c(=O)n1[*:1]
Cc1c(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cnn1C FC(F)(F)[*:1] Cc1c(cnn1C)C[NH2+]Cc1cc(n[nH]1)[*:1]
CC(C)(O)CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F CC(C)(O)[*:1] O=C(NC[*:1])[C@H]1C[C@@H]1c1cc(F)ccc1F
CC(C)(O)CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F CC(C)(O)C[*:1] O=C(N[*:1])[C@H]1C[C@@H]1c1cc(F)ccc1F
N#Cc1ccc(-c2noc(CCOc3ccccc3Cl)n2)nc1 Clc1ccccc1[*:1] N#Cc1ccc(nc1)-c1noc(CCO[*:1])n1
O=C(Nc1ccc(F)cc1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1ccc(F)cc1)c1cccn(OC[*:1])c1=O
O=C(Nc1ccc(F)cc1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O O=[N+]([O-])[*:1] O=C(Nc1ccc(F)cc1)c1cccn(OCc2cccc(c2)[*:1])c1=O
O=C(Nc1ccc(F)cc1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O Fc1ccc(cc1)[*:1] O=C(N[*:1])c1cccn(OCc2cccc(c2)[N+](=O)[O-])c1=O
Cn1nnnc1Sc1ccc(Cl)cc1NC(=O)[C@H]1CCCS1 Cn1nnnc1[*:1] O=C(Nc1cc(Cl)ccc1S[*:1])[C@H]1CCCS1
Cn1nnnc1Sc1ccc(Cl)cc1NC(=O)[C@H]1CCCS1 Cn1nnnc1S[*:1] O=C(Nc1cc(Cl)ccc1[*:1])[C@H]1CCCS1
COC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 COc1ccccc1[*:1] COC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 COC(=O)[*:1] COc1ccccc1N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
Cc1nc(C)c(CNC(=O)N2CCC[C@@H](C(C)C)CC2)s1 CC(C)[*:1] Cc1nc(C)c(CNC(=O)N2CCC[C@@H](CC2)[*:1])s1
Cc1nc(C)c(CNC(=O)N2CCC[C@@H](C(C)C)CC2)s1 Cc1nc(C)c(s1)[*:1] CC(C)[C@@H]1CCCN(CC1)C(=O)NC[*:1]
Cc1ccccc1CNC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] Cc1ccccc1CNC(=O)N[C@H](C)c1ccc(cc1)NC(=O)N[*:1]
Cc1ccccc1CNC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 Cc1ccccc1C[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)NC(=O)NC1CC1
Cc1ccccc1CNC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 Cc1ccccc1[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(cc1)NC(=O)NC1CC1
Cc1ccccc1CNC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] Cc1ccccc1CNC(=O)N[C@H](C)c1ccc(cc1)[*:1]
COC(=O)[C@@H]1CN(Cc2ncoc2C(C)C)CCO1 COC(=O)[*:1] CC(C)c1ocnc1CN1CCO[C@@H](C1)[*:1]
COC(=O)[C@@H]1CN(Cc2ncoc2C(C)C)CCO1 CC(C)[*:1] COC(=O)[C@@H]1CN(CCO1)Cc1ncoc1[*:1]
C[C@@](NC(=O)NCCc1nccs1)(C(=O)[O-])C(F)(F)F c1csc(n1)[*:1] C[C@@](NC(=O)NCC[*:1])(C(=O)[O-])C(F)(F)F
C[C@@](NC(=O)NCCc1nccs1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@](NC(=O)NCCc1nccs1)(C(=O)[O-])[*:1]
C[C@@](NC(=O)NCCc1nccs1)(C(=O)[O-])C(F)(F)F c1csc(C[*:1])n1 C[C@@](NC(=O)NC[*:1])(C(=O)[O-])C(F)(F)F
C[C@@](NC(=O)NCCc1nccs1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@](NC(=O)NCCc1nccs1)(C(F)(F)F)[*:1]
COc1ccc(Br)cc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 C[NH+](C)CC[*:1] COc1ccc(Br)cc1C[NH2+]C1CCN(CC1)[*:1]
CC[C@H]1Cc2ccc(CC(C)C)cc2C[NH2+]1 CC(C)C[*:1] CC[C@H]1Cc2ccc(cc2C[NH2+]1)[*:1]
CC[C@H]1Cc2ccc(CC(C)C)cc2C[NH2+]1 CC(C)[*:1] CC[C@H]1Cc2ccc(cc2C[NH2+]1)C[*:1]
C[C@H](CCO)CNc1ccc(OC(F)F)cn1 OCC[*:1] C[C@H](CNc1ccc(cn1)OC(F)F)[*:1]
C[C@H](CCO)CNc1ccc(OC(F)F)cn1 C[C@H](CCO)[*:1] FC(F)Oc1ccc(nc1)NC[*:1]
C[C@H](CCO)CNc1ccc(OC(F)F)cn1 FC(F)[*:1] C[C@H](CCO)CNc1ccc(cn1)O[*:1]
C[C@H](CCO)CNc1ccc(OC(F)F)cn1 FC(F)O[*:1] C[C@H](CCO)CNc1ccc(cn1)[*:1]
O=C(O[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)O[*:1] O=C(O[C@@H]1CCC[C@@H](C1)C(F)(F)F)c1cccc(c1)[*:1]
O=C(O[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)[*:1] O=C(O[C@@H]1CCC[C@@H](C1)C(F)(F)F)c1cccc(c1)O[*:1]
O=C(O[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(Oc2cnccn2)c1 FC(F)(F)[*:1] O=C(O[C@@H]1CCC[C@H](C1)[*:1])c1cccc(c1)Oc1cnccn1
C[C@H]1CC[C@@H](COC(=O)CN2CCOCC2)[C@H](C)C1 C1CN(CCO1)[*:1] C[C@H]1CC[C@@H](COC(=O)C[*:1])[C@H](C)C1
O=C(CCl)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 FC(F)(F)[*:1] O=C(CCl)Nc1ncc(Cc2cccc(c2)[*:1])s1
O=C(CCl)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 O=C(CCl)N[*:1] FC(F)(F)c1cccc(c1)Cc1cnc(s1)[*:1]
O=C(NCC1CCN(C(=O)c2cnccn2)CC1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)c1cnccn1)c1ccc(cc1)O[*:1]
O=C(NCC1CCN(C(=O)c2cnccn2)CC1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(NCC1CCN(CC1)C(=O)c1cnccn1)c1ccc(cc1)[*:1]
O=C(NCC1CCN(C(=O)c2cnccn2)CC1)c1ccc(Oc2ccccc2)cc1 c1cnc(cn1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1ccc(cc1)Oc1ccccc1
N#Cc1csc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] N#Cc1csc(c1)C(=O)NCCNC(=O)[*:1]
N#Cc1csc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)c1 N#Cc1csc(c1)[*:1] O=C(NCCNC(=O)[*:1])c1ccc(Cl)cc1
CSCC[C@@H](NC(=O)c1cncc(C)c1)c1nnc2ccccn12 CSCC[*:1] Cc1cncc(c1)C(=O)N[C@@H](c1nnc2ccccn12)[*:1]
CSCC[C@@H](NC(=O)c1cncc(C)c1)c1nnc2ccccn12 CSC[*:1] Cc1cncc(c1)C(=O)N[C@H](C[*:1])c1nnc2ccccn12
CSCC[C@@H](NC(=O)c1cncc(C)c1)c1nnc2ccccn12 Cc1cncc(c1)[*:1] CSCC[C@@H](NC(=O)[*:1])c1nnc2ccccn12
CC(=O)c1ccc(NC(=O)C[C@H](C(=O)[O-])[NH+](C)C)cc1 CC(=O)[*:1] C[NH+](C)[C@H](CC(=O)Nc1ccc(cc1)[*:1])C(=O)[O-]
CC(C)CN(CC[NH+](C)C)[C@@]1(C[NH3+])CS[C@@H](C)C1 CC(C)C[*:1] C[C@H]1C[C@](C[NH3+])(CS1)N(CC[NH+](C)C)[*:1]
CC(C)CN(CC[NH+](C)C)[C@@]1(C[NH3+])CS[C@@H](C)C1 CC(C)[*:1] C[C@H]1C[C@](C[NH3+])(CS1)N(CC[NH+](C)C)C[*:1]
COC(=O)Cn1c(C)cc(=O)c2cc(C)cc(C)c21 COC(=O)C[*:1] Cc1cc(C)c2c(c1)c(=O)cc(C)n2[*:1]
COC(=O)Cn1c(C)cc(=O)c2cc(C)cc(C)c21 COC(=O)[*:1] Cc1cc(C)c2c(c1)c(=O)cc(C)n2C[*:1]
CC(C)c1cc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)on1 Clc1cccc(c1)[*:1] CC(C)c1cc(on1)C(=O)N1CCC[C@@H]1[*:1]
CC(C)c1cc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)on1 CC(C)[*:1] O=C(c1cc(no1)[*:1])N1CCC[C@H]1c1cccc(Cl)c1
CCC[NH+]1CCC(NC2Cc3ccccc3C2)CC1 CCC[*:1] c1ccc2CC(Cc2c1)NC1CC[NH+](CC1)[*:1]
N#Cc1cccc(OCCSCC(=O)Nc2cc(Cl)ccc2F)c1 N#Cc1cccc(c1)[*:1] O=C(CSCCO[*:1])Nc1cc(Cl)ccc1F
N#Cc1cccc(OCCSCC(=O)Nc2cc(Cl)ccc2F)c1 Fc1ccc(Cl)cc1[*:1] N#Cc1cccc(c1)OCCSCC(=O)N[*:1]
CC[C@H]1C[NH2+]C2(CCCC2)CN1c1ccn(C)n1 Cn1ccc(n1)[*:1] CC[C@H]1C[NH2+]C2(CCCC2)CN1[*:1]
CC[NH+](Cc1cnn(C)c1)Cc1cnc(C2CCCC2)s1 Cn1cc(cn1)[*:1] CC[NH+](Cc1cnc(s1)C1CCCC1)C[*:1]
CC[NH+](Cc1cnn(C)c1)Cc1cnc(C2CCCC2)s1 C1CCC(C1)[*:1] CC[NH+](Cc1cnn(C)c1)Cc1cnc(s1)[*:1]
CC[NH+](Cc1cnn(C)c1)Cc1cnc(C2CCCC2)s1 Cn1cc(cn1)C[*:1] CC[NH+](Cc1cnc(s1)C1CCCC1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
CCc1nc([C@@H]2CCCN2C(=O)Cn2cc(C)c3ccccc32)no1 CCc1nc(no1)[*:1] Cc1cn(CC(=O)N2CCC[C@H]2[*:1])c2ccccc12
Cc1ccc(Nc2nn[nH]c2C(=O)NCc2cc(F)cc(F)c2)cc1C Cc1ccc(cc1C)[*:1] O=C(NCc1cc(F)cc(F)c1)c1[nH]nnc1N[*:1]
Cc1ccc(Nc2nn[nH]c2C(=O)NCc2cc(F)cc(F)c2)cc1C Fc1cc(F)cc(c1)[*:1] Cc1ccc(cc1C)Nc1nn[nH]c1C(=O)NC[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[C@](C)(N)[*:1]
CC(C)CCn1c(CN2CCN3C(=O)CNC(=O)[C@@H]3C2)nc2ccccc21 CC(C)C[*:1] O=C1NCC(=O)N2CCN(Cc3nc4ccccc4n3C[*:1])C[C@@H]12
CC(C)CCn1c(CN2CCN3C(=O)CNC(=O)[C@@H]3C2)nc2ccccc21 CC(C)[*:1] O=C1NCC(=O)N2CCN(Cc3nc4ccccc4n3CC[*:1])C[C@@H]12
CC(C)CCn1c(CN2CCN3C(=O)CNC(=O)[C@@H]3C2)nc2ccccc21 CC(C)CC[*:1] O=C1NCC(=O)N2CCN(Cc3nc4ccccc4n3[*:1])C[C@@H]12
N#Cc1ccc(N(C(=O)c2noc3c2CCCC3)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)c1noc2CCCCc12)[*:1]
CC(C)(C)NC(=O)CNCc1ccc(OC(F)F)c(Br)c1 CC(C)(C)NC(=O)[*:1] FC(F)Oc1ccc(cc1Br)CNC[*:1]
CC(C)(C)NC(=O)CNCc1ccc(OC(F)F)c(Br)c1 FC(F)[*:1] CC(C)(C)NC(=O)CNCc1ccc(O[*:1])c(Br)c1
CC(C)(C)NC(=O)CNCc1ccc(OC(F)F)c(Br)c1 FC(F)O[*:1] CC(C)(C)NC(=O)CNCc1ccc(c(Br)c1)[*:1]
CC(C)(C)NC(=O)CNCc1ccc(OC(F)F)c(Br)c1 CC(C)(C)[*:1] O=C(CNCc1ccc(OC(F)F)c(Br)c1)N[*:1]
Cn1cc(CCNC(=O)c2c[nH]c3nccc(Cl)c23)cn1 Cn1cc(cn1)[*:1] O=C(NCC[*:1])c1c[nH]c2nccc(Cl)c12
Cn1cc(CCNC(=O)c2c[nH]c3nccc(Cl)c23)cn1 Cn1cc(cn1)C[*:1] O=C(NC[*:1])c1c[nH]c2nccc(Cl)c12
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@@H]([NH+]2CCCC2)CC1 C1CO[C@@H](C1)[*:1] O=C(c1cnc(s1)[*:1])N1CCC[C@H](CC1)[NH+]1CCCC1
Cc1cc([C@](C)(O)CNC(=O)Cc2ccc(C)c(O)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1ccc(cc1O)CC(=O)NC[C@](C)(O)[*:1]
Cc1ccc(CNn2c(-c3ccncc3)n[nH]c2=S)s1 c1cc(ccn1)[*:1] Cc1ccc(CNn2c(n[nH]c2=S)[*:1])s1
Cc1ccc(CNn2c(-c3ccncc3)n[nH]c2=S)s1 Cc1ccc(s1)[*:1] S=c1[nH]nc(-c2ccncc2)n1NC[*:1]
O=C(CC[C@H]1CCCN(C(=O)c2ccncc2)C1)NCc1ccc(F)c(F)c1 Fc1ccc(cc1F)C[*:1] O=C(CC[C@H]1CCCN(C1)C(=O)c1ccncc1)N[*:1]
O=C(CC[C@H]1CCCN(C(=O)c2ccncc2)C1)NCc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CC[C@H]1CCCN(C1)C(=O)c1ccncc1)NC[*:1]
O=C(CC[C@H]1CCCN(C(=O)c2ccncc2)C1)NCc1ccc(F)c(F)c1 c1cc(ccn1)[*:1] O=C(CC[C@H]1CCCN(C1)C(=O)[*:1])NCc1ccc(F)c(F)c1
CN(C)c1ccc(C(=O)/C=C/c2cnc(-c3ccccn3)s2)cc1 c1ccc(nc1)[*:1] CN(C)c1ccc(cc1)C(=O)/C=C/c1cnc(s1)[*:1]
CN(C)c1ccc(C(=O)/C=C/c2cnc(-c3ccccn3)s2)cc1 CN(C)[*:1] O=C(/C=C/c1cnc(s1)-c1ccccn1)c1ccc(cc1)[*:1]
COc1ccccc1C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 C1CC1[*:1] COc1ccccc1C(=O)N[C@@H](c1cc(F)ccc1F)[*:1]
O=C1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)c2ccccc2N1 FC(F)(F)[*:1] O=C1CN(C(=O)Cc2ccc(cc2)[*:1])c2ccccc2N1
O=C(NC[C@@H](CCO)c1ccccc1)C1=NO[C@@H](c2ccccc2)C1 OCC[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])C1C[C@@H](ON=1)c1ccccc1
O=C(NC[C@@H](CCO)c1ccccc1)C1=NO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC[C@@H](CCO)c1ccccc1)C1C[C@H](ON=1)[*:1]
O=C(NC[C@@H](CCO)c1ccccc1)C1=NO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC[C@@H](CCO)[*:1])C1C[C@@H](ON=1)c1ccccc1
CN(C)C(=O)c1cccc(C(=O)N[C@@H](CO)CC(C)(C)C)c1 CN(C)C(=O)[*:1] CC(C)(C)C[C@H](CO)NC(=O)c1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(C(=O)N[C@@H](CO)CC(C)(C)C)c1 CC(C)(C)C[*:1] CN(C)C(=O)c1cccc(c1)C(=O)N[C@@H](CO)[*:1]
CN(C)C(=O)c1cccc(C(=O)N[C@@H](CO)CC(C)(C)C)c1 CC(C)(C)[*:1] CN(C)C(=O)c1cccc(c1)C(=O)N[C@@H](CO)C[*:1]
CN(C(=O)NCCCOCc1ccco1)C1CCC1 C1CC(C1)[*:1] CN(C(=O)NCCCOCc1ccco1)[*:1]
CN(C(=O)NCCCOCc1ccco1)C1CCC1 c1coc(c1)C[*:1] CN(C(=O)NCCCO[*:1])C1CCC1
CN(C(=O)NCCCOCc1ccco1)C1CCC1 c1coc(c1)[*:1] CN(C(=O)NCCCOC[*:1])C1CCC1
CC[C@@H](C)NC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2C)CC1 Cc1ccccc1[*:1] CC[C@@H](C)NC(=O)C1CCN(CC1)c1[nH+]c2ccccc2n1C[*:1]
CC[C@@H](C)NC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2C)CC1 CC[C@@H](C)[*:1] Cc1ccccc1Cn1c([nH+]c2ccccc21)N1CCC(CC1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2C)CC1 CC[C@@H](C)NC(=O)[*:1] Cc1ccccc1Cn1c([nH+]c2ccccc21)N1CCC(CC1)[*:1]
CC[C@@H](C)NC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2C)CC1 Cc1ccccc1C[*:1] CC[C@@H](C)NC(=O)C1CCN(CC1)c1[nH+]c2ccccc2n1[*:1]
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCOCC1)cn2CCC(=O)[O-] C1CN(CCO1)[*:1] COc1ccc2c(c1)c(cn2CCC(=O)[O-])[C@@H](C(=O)[O-])[*:1]
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCOCC1)cn2CCC(=O)[O-] O=C([O-])[*:1] COc1ccc2c(c1)c(cn2CCC(=O)[O-])[C@@H](N1CCOCC1)[*:1]
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCOCC1)cn2CCC(=O)[O-] O=C([O-])CC[*:1] COc1ccc2c(c1)c(cn2[*:1])[C@@H](C(=O)[O-])N1CCOCC1
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCOCC1)cn2CCC(=O)[O-] O=C([O-])C[*:1] COc1ccc2c(c1)c(cn2C[*:1])[C@@H](C(=O)[O-])N1CCOCC1
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCOCC1)cn2CCC(=O)[O-] O=C([O-])[*:1] COc1ccc2c(c1)c(cn2CC[*:1])[C@@H](C(=O)[O-])N1CCOCC1
Cc1cccc2[nH]c(C(=O)N[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C(C)C)cc12 c1ccc(nc1)[*:1] Cc1cccc2[nH]c(cc12)C(=O)N[C@@H](c1cc(=O)[nH]c(n1)[*:1])C(C)C
Cc1cccc2[nH]c(C(=O)N[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C(C)C)cc12 CC(C)[*:1] Cc1cccc2[nH]c(cc12)C(=O)N[C@@H](c1cc(=O)[nH]c(n1)-c1ccccn1)[*:1]
Cc1cccc2[nH]c(C(=O)N[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C(C)C)cc12 Cc1cccc2[nH]c(cc12)[*:1] CC(C)[C@@H](NC(=O)[*:1])c1cc(=O)[nH]c(n1)-c1ccccn1
ClCC/C=C/c1cccnc1 ClCC[*:1] C(=C[*:1])c1cccnc1
Cn1nccc1C1CCN(c2nccc(OCc3ccccc3)n2)CC1 c1ccc(cc1)CO[*:1] Cn1nccc1C1CCN(CC1)c1nccc(n1)[*:1]
Cn1nccc1C1CCN(c2nccc(OCc3ccccc3)n2)CC1 Cn1nccc1[*:1] c1ccc(cc1)COc1ccnc(n1)N1CCC(CC1)[*:1]
Cn1nccc1C1CCN(c2nccc(OCc3ccccc3)n2)CC1 c1ccc(cc1)[*:1] Cn1nccc1C1CCN(CC1)c1nccc(n1)OC[*:1]
Cn1nccc1C1CCN(c2nccc(OCc3ccccc3)n2)CC1 c1ccc(cc1)C[*:1] Cn1nccc1C1CCN(CC1)c1nccc(n1)O[*:1]
Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)/C=C/c1cccc(Br)c1 Cc1nn(C)cc1[*:1] C[C@@H](NS(=O)(=O)/C=C/c1cccc(Br)c1)[*:1]
Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)/C=C/c1cccc(Br)c1 Brc1cccc(c1)[*:1] Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)C=C[*:1]
O=C(CSc1ccc(Cl)cc1)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(CSc1ccc(Cl)cc1)NCc1cn(nn1)[*:1]
O=C(CSc1ccc(Cl)cc1)NCc1cn(-c2ccccc2)nn1 Clc1ccc(cc1)S[*:1] O=C(C[*:1])NCc1cn(nn1)-c1ccccc1
O=C(CSc1ccc(Cl)cc1)NCc1cn(-c2ccccc2)nn1 Clc1ccc(cc1)[*:1] O=C(CS[*:1])NCc1cn(nn1)-c1ccccc1
O=C(N(Cc1ccccc1)Cc1nccs1)[C@@]12CNC[C@@H]1C[NH2+]C2 c1ccc(cc1)[*:1] O=C(N(Cc1nccs1)C[*:1])[C@@]12CNC[C@@H]1C[NH2+]C2
O=C(N(Cc1ccccc1)Cc1nccs1)[C@@]12CNC[C@@H]1C[NH2+]C2 c1csc(C[*:1])n1 O=C(N(Cc1ccccc1)[*:1])[C@@]12CNC[C@@H]1C[NH2+]C2
O=C(N(Cc1ccccc1)Cc1nccs1)[C@@]12CNC[C@@H]1C[NH2+]C2 c1csc(n1)[*:1] O=C(N(Cc1ccccc1)C[*:1])[C@@]12CNC[C@@H]1C[NH2+]C2
O=C(N(Cc1ccccc1)Cc1nccs1)[C@@]12CNC[C@@H]1C[NH2+]C2 c1ccc(cc1)C[*:1] O=C(N(Cc1nccs1)[*:1])[C@@]12CNC[C@@H]1C[NH2+]C2
CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)NCc1ccco1)C2 CC(C)(C)[*:1] O=C(NCc1ccco1)[C@@H]1CSc2nc(cc(=O)n2C1)[*:1]
CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)NCc1ccco1)C2 c1coc(c1)[*:1] CC(C)(C)c1cc(=O)n2C[C@@H](CSc2n1)C(=O)NC[*:1]
CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)NCc1ccco1)C2 c1coc(c1)C[*:1] CC(C)(C)c1cc(=O)n2C[C@@H](CSc2n1)C(=O)N[*:1]
Cc1cc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)on1 Cc1cc(C[*:1])on1 Cc1cc(nc(C)[nH+]1)N1CC[NH+](CC1)[*:1]
Cc1cc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)on1 Cc1cc(on1)[*:1] Cc1cc(nc(C)[nH+]1)N1CC[NH+](CC1)C[*:1]
C[C@H]1[C@@H](C)SCCN1C(=O)c1ccc(-c2cnco2)cc1 c1ncc(o1)[*:1] C[C@H]1[C@@H](C)SCCN1C(=O)c1ccc(cc1)[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1cccs1 c1csc(c1)[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CC[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1cccs1 c1csc(c1)C[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1cccs1 c1csc(c1)CC[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)c2cnc(-c3cccs3)s2)CC1 CC(C)[*:1] N#C[C@H](N1CCN(CC1)C(=O)c1cnc(s1)-c1cccs1)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)c2cnc(-c3cccs3)s2)CC1 c1csc(c1)[*:1] CC(C)[C@H](C#N)N1CCN(CC1)C(=O)c1cnc(s1)[*:1]
O=C(Nc1cnc2ccccc2n1)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C(Nc1cnc2ccccc2n1)[*:1]
Cc1[nH]c2ccccc2c1C(=O)NCCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1[nH]c2ccccc2c1C(=O)NCCCO[*:1]
Cc1[nH]c2ccccc2c1C(=O)NCCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] Cc1[nH]c2ccccc2c1C(=O)NCCC[*:1]
Cc1[nH]c2ccccc2c1C(=O)NCCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1[nH]c2ccccc2c1C(=O)NCCCOC[*:1]
CC(C)[C@@H](NC(=O)N1CCOCC[C@H]1C)c1ccc2c(c1)OCCO2 CC(C)[*:1] C[C@@H]1CCOCCN1C(=O)N[C@@H](c1ccc2OCCOc2c1)[*:1]
COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)c1 c1csc(c1)[*:1] COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)[*:1])c(c1)OC)OC
COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)c1 O=C(N[*:1])c1cccs1 COc1cc(cc(c1)C(=O)Nc1ccc(c(c1)OC)[*:1])OC
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCNC(=O)C1 O=[N+]([O-])[*:1] Cc1cc(ccc1S(=O)(=O)N1CCNC(=O)C1)[*:1]
CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)CCc2cn3ccccc3n2)C1 Fc1ccc(cc1)[*:1] CC1(C)Cc2c(cnn2[*:1])[C@@H](C1)NC(=O)CCc1cn2ccccc2n1
CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)CCc2cn3ccccc3n2)C1 c1ccn2cc(nc2c1)[*:1] CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](C1)NC(=O)CC[*:1]
CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)CCc2cn3ccccc3n2)C1 c1ccn2cc(C[*:1])nc2c1 CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](C1)NC(=O)C[*:1]
CC(C)(C)c1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1N Fc1ccc(cc1)[*:1] CC(C)(C)c1nnc(SCC(=O)NNC(=O)[*:1])n1N
CC(C)(C)c1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1N CC(C)(C)[*:1] Nn1c(nnc1[*:1])SCC(=O)NNC(=O)c1ccc(F)cc1
O=C(NCCOCCO)Nc1c[nH]c2ccccc12 OCCO[*:1] O=C(NCC[*:1])Nc1c[nH]c2ccccc12
O=C(NCCOCCO)Nc1c[nH]c2ccccc12 OCCOCC[*:1] O=C(Nc1c[nH]c2ccccc12)N[*:1]
O=C(NCCOCCO)Nc1c[nH]c2ccccc12 OCC[*:1] O=C(NCCO[*:1])Nc1c[nH]c2ccccc12
O=C(NCCOCCO)Nc1c[nH]c2ccccc12 OCCOC[*:1] O=C(NC[*:1])Nc1c[nH]c2ccccc12
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)Nc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)NN1Cc2ccccc2C1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NN1Cc2ccccc2C1
Cc1ccccc1C(=O)N[C@@H](C(=O)NN1Cc2ccccc2C1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)NN1Cc2ccccc2C1)[*:1]
CSC[C@H](C)N(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2 CSC[*:1] C[C@H](N(C)C(=O)Nc1ccc2NC(=O)CCc2c1)[*:1]
CN(Cc1cccnc1)Cc1cccc(F)c1Cl c1cncc(c1)[*:1] CN(Cc1cccc(F)c1Cl)C[*:1]
C=C(Br)CN1CCC[C@H]1CN1CCOCC1 C=C(Br)[*:1] C1C[C@@H](CN2CCOCC2)N(C1)C[*:1]
C=C(Br)CN1CCC[C@H]1CN1CCOCC1 C=C(Br)C[*:1] C1C[C@@H](CN2CCOCC2)N(C1)[*:1]
C[C@H]1[C@H](C)S(=O)(=O)CCN1CC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H]1[C@H](C)S(=O)(=O)CCN1CC(C)(C)[*:1]
CCC[NH+](Cc1ccc(C(=O)NN)cn1)C1CC1 C1CC1[*:1] CCC[NH+](Cc1ccc(cn1)C(=O)NN)[*:1]
CCC[NH+](Cc1ccc(C(=O)NN)cn1)C1CC1 CCC[*:1] NNC(=O)c1ccc(C[NH+](C2CC2)[*:1])nc1
CCC[NH+](Cc1ccc(C(=O)NN)cn1)C1CC1 NNC(=O)[*:1] CCC[NH+](Cc1ccc(cn1)[*:1])C1CC1
NC1=[NH+]C[C@H](c2cc(Br)cs2)N1c1ccc(Cl)cc1 Brc1csc(c1)[*:1] NC1=[NH+]C[C@H](N1c1ccc(Cl)cc1)[*:1]
Cn1c(CN2CCN(c3cc(Cl)ncn3)CC2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(CN2CCN(CC2)c2cc(Cl)ncn2)nnc1[*:1]
Cn1c(CN2CCN(c3cc(Cl)ncn3)CC2)nnc1-c1ccccc1 Clc1cc(ncn1)[*:1] Cn1c(CN2CCN(CC2)[*:1])nnc1-c1ccccc1
CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2cccc(C)c2)C1 Cc1cccc(c1)[*:1] CCC[NH2+][C@]1(CCC[C@H](C1)S[*:1])C(N)=O
CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2cccc(C)c2)C1 NC(=O)[*:1] CCC[NH2+][C@]1(CCC[C@H](C1)Sc1cccc(C)c1)[*:1]
CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2cccc(C)c2)C1 CCC[*:1] Cc1cccc(c1)S[C@@H]1CCC[C@@](C1)([NH2+][*:1])C(N)=O
CC(C)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 CC(C)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)[*:1]
CC(C)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 CC(C)C(=O)N(C)[*:1] c1cc(cc[nH+]1)N1CCC(CC1)CC[*:1]
CN1c2ncccc2C(=O)N[C@H]1c1ccccc1NC(=O)c1cnn2cccnc12 c1cnc2c(cnn2c1)[*:1] CN1c2ncccc2C(=O)N[C@H]1c1ccccc1NC(=O)[*:1]
COc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3c(Cl)cccc3s2)cc(OC)c1OC Clc1cccc2sc(nc12)[*:1] COc1cc(cc(OC)c1OC)C(=O)N(C[C@H]1CCCO1)[*:1]
c1cc(C[NH2+][C@@H]2CCCC[C@@H]2OC2CCCC2)n[nH]1 C1CCC(C1)[*:1] c1cc(C[NH2+][C@@H]2CCCC[C@@H]2O[*:1])n[nH]1
c1cc(C[NH2+][C@@H]2CCCC[C@@H]2OC2CCCC2)n[nH]1 c1cc(n[nH]1)[*:1] C1CCC(C1)O[C@H]1CCCC[C@H]1[NH2+]C[*:1]
c1cc(C[NH2+][C@@H]2CCCC[C@@H]2OC2CCCC2)n[nH]1 C1CCC(C1)O[*:1] c1cc(C[NH2+][C@@H]2CCCC[C@H]2[*:1])n[nH]1
CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)c2ccc(C)o2)c1 CC(=O)N[*:1] Cc1ccc(o1)[C@H](C)NC(=O)Nc1cc(ccc1Cl)[*:1]
CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] CC(=O)Nc1ccc(Cl)c(c1)NC(=O)N[C@@H](C)[*:1]
NC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] NC(=O)C[C@H](NC(=O)[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
NC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] NC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
NC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 NC(=O)[*:1] O=C(N[C@@H](C[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-])c1ccccc1
NC(=O)C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 NC(=O)C[*:1] O=C(N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1])c1ccccc1
Cc1cc(C)cc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1nc2nc(N)nn2c(C)c1CC(=O)N[*:1]
CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1)C(=O)[O-] CC[C@H](C)[*:1] COc1cc2CCN(C(=O)N[C@H](C(=O)[O-])[*:1])[C@@H](c3ccc(F)cc3)c2cc1OC
CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(cc2[C@@H]1c1ccc(F)cc1)OC)[*:1]
CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1)C(=O)[O-] Fc1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(cc2[C@H]1[*:1])OC)C(=O)[O-]
NC(=O)c1ccc(CSc2nnc(Nc3cccc(Br)c3)s2)c([N+](=O)[O-])c1 Brc1cccc(c1)N[*:1] NC(=O)c1ccc(CSc2nnc(s2)[*:1])c(c1)[N+](=O)[O-]
NC(=O)c1ccc(CSc2nnc(Nc3cccc(Br)c3)s2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(CSc2nnc(Nc3cccc(Br)c3)s2)c(c1)[*:1]
NC(=O)c1ccc(CSc2nnc(Nc3cccc(Br)c3)s2)c([N+](=O)[O-])c1 Brc1cccc(c1)[*:1] NC(=O)c1ccc(CSc2nnc(N[*:1])s2)c(c1)[N+](=O)[O-]
NC(=O)c1ccc(CSc2nnc(Nc3cccc(Br)c3)s2)c([N+](=O)[O-])c1 NC(=O)[*:1] O=[N+]([O-])c1cc(ccc1CSc1nnc(Nc2cccc(Br)c2)s1)[*:1]
Cc1cncc(NC(=O)NNc2cccc([N+](=O)[O-])c2)c1 Cc1cncc(c1)[*:1] O=C(NNc1cccc(c1)[N+](=O)[O-])N[*:1]
Cc1cncc(NC(=O)NNc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1cncc(c1)NC(=O)NNc1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[NH+](C)CC3)C2)cc1 Cc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)CC(=O)N1CCN(C1)S(=O)(=O)[*:1]
N#Cc1ccccc1NC(=O)CCSC1COC1 C1OCC1[*:1] N#Cc1ccccc1NC(=O)CCS[*:1]
N#Cc1ccccc1NC(=O)CCSC1COC1 C1OCC1S[*:1] N#Cc1ccccc1NC(=O)CC[*:1]
N#Cc1ccccc1NC(=O)CCSC1COC1 C1OCC1SC[*:1] N#Cc1ccccc1NC(=O)C[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N(C)C[C@H](O)C2CC2)n1 C1CC1[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N(C)C[C@H](O)[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N(C)C[C@H](O)C2CC2)n1 Cc1nc(C)n(n1)[*:1] CN(C[C@H](O)C1CC1)C(=O)Nc1ccccc1[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 O=C(NC1CCCC1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[C@@H](C)[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 CC(C)c1ccc(cc1)[*:1] C[C@@H](C(=O)NC1CCCC1)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 CC(C)[*:1] C[C@@H](C(=O)NC1CCCC1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 C1CCC(C1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
Cn1nc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])ccc1=O O=C([O-])[*:1] Cn1nc(ccc1=O)C(=O)N1C[C@@H](O)C[C@@H]1[*:1]
COc1cc(F)cc(CNC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1 COc1cc(F)cc(c1)[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[*:1])C[NH+](C)C
Cc1ccc(NCCCCN2CCOCC2)c([N+](=O)[O-])c1 C1CN(CCO1)C[*:1] Cc1ccc(NCCC[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NCCCCN2CCOCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NCCCCN2CCOCC2)c(c1)[*:1]
Cc1ccc(NCCCCN2CCOCC2)c([N+](=O)[O-])c1 C1CN(CCO1)[*:1] Cc1ccc(NCCCC[*:1])c(c1)[N+](=O)[O-]
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)/C=C/c3ccccc3Cl)cc21 Clc1ccccc1[*:1] C=CCN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)C=C[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)/C=C/c3ccccc3Cl)cc21 Clc1ccccc1C=C[*:1] C=CCN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)/C=C/c3ccccc3Cl)cc21 C=CC[*:1] CC1(C)COc2ccc(cc2N(C1=O)[*:1])NC(=O)/C=C/c1ccccc1Cl
C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)C[C@@H](C)O1 Clc1cccc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)N[C@@H]1CCN(C1)[*:1]
Cc1cc(F)ccc1CCNc1ccc(Cl)c(C(=O)[O-])n1 O=C([O-])[*:1] Cc1cc(F)ccc1CCNc1ccc(Cl)c(n1)[*:1]
CC[C@H](C)NC(=O)c1cccc(CNC(=O)N(C)CC2CCCC2)c1 C1CCC(C1)C[*:1] CC[C@H](C)NC(=O)c1cccc(c1)CNC(=O)N(C)[*:1]
CC[C@H](C)NC(=O)c1cccc(CNC(=O)N(C)CC2CCCC2)c1 C1CCC(C1)[*:1] CC[C@H](C)NC(=O)c1cccc(c1)CNC(=O)N(C)C[*:1]
CC[C@H](C)NC(=O)c1cccc(CNC(=O)N(C)CC2CCCC2)c1 CC[C@H](C)NC(=O)[*:1] CN(CC1CCCC1)C(=O)NCc1cccc(c1)[*:1]
CC[C@H](C)NC(=O)c1cccc(CNC(=O)N(C)CC2CCCC2)c1 CC[C@H](C)[*:1] CN(CC1CCCC1)C(=O)NCc1cccc(c1)C(=O)N[*:1]
COCc1ccc(CNS(=O)(=O)c2ccc(F)cc2Br)cc1 COC[*:1] O=S(=O)(NCc1ccc(cc1)[*:1])c1ccc(F)cc1Br
COc1nc2ccc3nc(NC(=O)c4ncccn4)sc3c2s1 c1cnc(nc1)[*:1] COc1nc2ccc3nc(NC(=O)[*:1])sc3c2s1
CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 O=[N+]([O-])[*:1] CC[NH+](CC)[C@H]1CCN(C1)C(=O)C(=O)Nc1cc(ccc1C)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)c2ccsc2)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)NC[C@@](C)(O)c1ccsc1)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)c2ccsc2)c1 c1cc(cs1)[*:1] COc1ccc(c(c1)C(=O)NC[C@@](C)(O)[*:1])[N+](=O)[O-]
O=C([O-])C1CC2(CCCC2)C1 O=C([O-])[*:1] C1CCC2(C1)CC(C2)[*:1]
C[C@@H](NC(=O)/C=C/c1cn(C)c2ccccc12)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)/C=C/c1cn(C)c2ccccc12)C(=O)NC[*:1]
C[C@@H](NC(=O)/C=C/c1cn(C)c2ccccc12)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@@H](NC(=O)/C=C/c1cn(C)c2ccccc12)C(=O)N[*:1]
Cc1ccc2cc(C(=O)N(C)Cc3ccc(Cl)nc3)[nH]c2c1 Clc1ccc(cn1)[*:1] Cc1ccc2cc([nH]c2c1)C(=O)N(C)C[*:1]
O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc(Cl)ccc1[*:1]
O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc(Cl)ccc1[N+](=O)[O-] c1cncc(c1)O[*:1] O=C(NCc1ccc(c(F)c1)[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc(Cl)ccc1[N+](=O)[O-] c1cncc(c1)[*:1] O=C(NCc1ccc(O[*:1])c(F)c1)c1cc(Cl)ccc1[N+](=O)[O-]
COc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)C(=O)N[*:1]
COc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)C(=O)N1CCC[C@@H]1[*:1]
COC(=O)Cn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(C(=O)OC)ccc21 COC(=O)[*:1] COC(=O)Cn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(ccc21)[*:1]
COC(=O)Cn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(C(=O)OC)ccc21 N#Cc1ccc(cc1)[*:1] COC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc(ccc21)C(=O)OC
COC(=O)Cn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(C(=O)OC)ccc21 COC(=O)[*:1] COC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(C#N)cc1)n2C[*:1]
COC(=O)Cn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(C(=O)OC)ccc21 COC(=O)C[*:1] COC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(C#N)cc1)n2[*:1]
CC(C)COC1CCN(C(=O)NCC(C)(C)c2ccncc2)CC1 CC(C)[*:1] CC(C)(CNC(=O)N1CCC(CC1)OC[*:1])c1ccncc1
CC(C)COC1CCN(C(=O)NCC(C)(C)c2ccncc2)CC1 CC(C)C[*:1] CC(C)(CNC(=O)N1CCC(CC1)O[*:1])c1ccncc1
CC(C)COC1CCN(C(=O)NCC(C)(C)c2ccncc2)CC1 CC(C)CO[*:1] CC(C)(CNC(=O)N1CCC(CC1)[*:1])c1ccncc1
CC(C)COC1CCN(C(=O)NCC(C)(C)c2ccncc2)CC1 c1cc(ccn1)[*:1] CC(C)COC1CCN(CC1)C(=O)NCC(C)(C)[*:1]
COc1cc2c(cc1OC)C([C@H](CCC(C)C)C(N)=O)=NC(C)(C)C2 NC(=O)[*:1] COc1cc2CC(C)(C)N=C(c2cc1OC)[C@H](CCC(C)C)[*:1]
COc1cc2c(cc1OC)C([C@H](CCC(C)C)C(N)=O)=NC(C)(C)C2 CC(C)C[*:1] COc1cc2CC(C)(C)N=C(c2cc1OC)[C@H](C[*:1])C(N)=O
COc1cc2c(cc1OC)C([C@H](CCC(C)C)C(N)=O)=NC(C)(C)C2 CC(C)[*:1] COc1cc2CC(C)(C)N=C(c2cc1OC)[C@H](CC[*:1])C(N)=O
COc1cc2c(cc1OC)C([C@H](CCC(C)C)C(N)=O)=NC(C)(C)C2 CC(C)CC[*:1] COc1cc2CC(C)(C)N=C(c2cc1OC)[C@H](C(N)=O)[*:1]
Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)NC(C)C)cc1 CC(C)[*:1] Cc1ccc(C)n1-c1cccnc1-c1ccc(cc1)C(=O)N[*:1]
Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)NC(C)C)cc1 Cc1ccc(C)n1[*:1] CC(C)NC(=O)c1ccc(cc1)-c1ncccc1[*:1]
Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] Cc1ccc(C)n1-c1cccnc1-c1ccc(cc1)[*:1]
COc1ccc(CC[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 COc1ccc(cc1)[*:1] O=c1[nH]c(CN2CC[NH+](CC2)CC[*:1])nc2ccccc12
COc1ccc(CC[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 COc1ccc(cc1)C[*:1] O=c1[nH]c(CN2CC[NH+](CC2)C[*:1])nc2ccccc12
CC(C)N(Cc1ccccc1)C(=O)c1cc(F)ccc1Br CC(C)[*:1] O=C(c1cc(F)ccc1Br)N(Cc1ccccc1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)c1cc(F)ccc1Br c1ccc(cc1)C[*:1] CC(C)N(C(=O)c1cc(F)ccc1Br)[*:1]
CC(C)N(Cc1ccccc1)C(=O)c1cc(F)ccc1Br c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)c1cc(F)ccc1Br
CCOc1ccc(OCC)c(NC(=O)C[NH+]2CCCSCC2)c1 CCO[*:1] CCOc1ccc(cc1NC(=O)C[NH+]1CCCSCC1)[*:1]
CCOc1ccc(OCC)c(NC(=O)C[NH+]2CCCSCC2)c1 CCO[*:1] CCOc1ccc(c(c1)NC(=O)C[NH+]1CCCSCC1)[*:1]
CC(C)c1ccc(Cn2c(CNC(=O)[C@@H]3CCCO3)nc3ccccc32)cc1 CC(C)c1ccc(cc1)[*:1] O=C(NCc1nc2ccccc2n1C[*:1])[C@@H]1CCCO1
CC(C)c1ccc(Cn2c(CNC(=O)[C@@H]3CCCO3)nc3ccccc32)cc1 CC(C)[*:1] O=C(NCc1nc2ccccc2n1Cc1ccc(cc1)[*:1])[C@@H]1CCCO1
Cc1cc(C(=O)NCc2ccon2)sc1Br c1cc(no1)[*:1] Cc1cc(sc1Br)C(=O)NC[*:1]
CCCCN1C[C@@H](C(=O)Cl)CC1=O O=C(Cl)[*:1] CCCCN1C[C@@H](CC1=O)[*:1]
CCCCN1C[C@@H](C(=O)Cl)CC1=O CCC[*:1] O=C(Cl)[C@H]1CC(=O)N(C1)C[*:1]
CCCCN1C[C@@H](C(=O)Cl)CC1=O CCCC[*:1] O=C(Cl)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCCS(=O)(=O)c1ccccc1)[C@H]1Cc2ccccc2O1 c1ccc(cc1)[*:1] O=C(NCCCS(=O)(=O)[*:1])[C@H]1Cc2ccccc2O1
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCCc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCC[*:1]
CCN(C[C@@H](C)C(N)=S)C(=O)N1CCC[C@H](C)C1 NC(=S)[*:1] CCN(C[C@@H](C)[*:1])C(=O)N1CCC[C@H](C)C1
CCN(C[C@@H](C)C(N)=S)C(=O)N1CCC[C@H](C)C1 C[C@@H](C(N)=S)[*:1] CCN(C[*:1])C(=O)N1CCC[C@H](C)C1
CCN(C[C@@H](C)C(N)=S)C(=O)N1CCC[C@H](C)C1 C[C@H](C[*:1])C(N)=S CCN(C(=O)N1CCC[C@H](C)C1)[*:1]
CCS(=O)(=O)NCCCNC(=O)c1cnc2ccc(C)cn12 CCS(=O)(=O)NC[*:1] Cc1ccc2ncc(C(=O)NCC[*:1])n2c1
CCS(=O)(=O)NCCCNC(=O)c1cnc2ccc(C)cn12 CCS(=O)(=O)N[*:1] Cc1ccc2ncc(C(=O)NCCC[*:1])n2c1
CC[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H](NC(=O)c1cccc(c1)-c1ccoc1)[*:1]
CC[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)c1noc(C)n1 c1cc(co1)[*:1] CC[C@@H](NC(=O)c1cccc(c1)[*:1])c1noc(C)n1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(Br)cc1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])NCc1ccc(Br)cc1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NC[*:1]
COCc1ccc(CN2C[C@@H](CO)OC[C@H]2C)o1 COC[*:1] C[C@@H]1CO[C@H](CO)CN1Cc1ccc(o1)[*:1]
Cc1ccc(S(=O)(=O)CCCOc2cc(C)n(C)n2)cc1 Cc1cc(nn1C)[*:1] Cc1ccc(cc1)S(=O)(=O)CCCO[*:1]
Cc1ccc(S(=O)(=O)CCCOc2cc(C)n(C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(nn1C)OCCCS(=O)(=O)[*:1]
CCS(=O)(=O)NCCNC(=O)Nc1cnc2ccccc2c1 CCS(=O)(=O)N[*:1] O=C(NCC[*:1])Nc1cnc2ccccc2c1
CCS(=O)(=O)NCCNC(=O)Nc1cnc2ccccc2c1 CCS(=O)(=O)NC[*:1] O=C(NC[*:1])Nc1cnc2ccccc2c1
O=C(NC1CCCCC1)N1CCN(C(=O)c2cc3ncsc3[nH]2)CC1 C1CCC(CC1)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1cc2ncsc2[nH]1
C[C@H](CNC(=O)N1CCN(C(=O)c2ccccc2)CC1)C[NH+]1CCCC1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CCN(CC1)C(=O)[*:1])C[NH+]1CCCC1
CCOC(=O)C1(C)CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 Fc1ccccc1[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)N[C@@H]1C[C@@H]1[*:1]
CCOC(=O)C1(C)CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)N[C@@H]1C[C@H]1c1ccccc1F)[*:1]
CN(C)C(=O)CCN1C(=O)c2ccccc2C1=O CN(C)C(=O)[*:1] O=C1c2ccccc2C(=O)N1CC[*:1]
CN(C)C(=O)CCN1C(=O)c2ccccc2C1=O CN(C)C(=O)C[*:1] O=C1c2ccccc2C(=O)N1C[*:1]
Cc1cccc(NC(=O)N(Cc2ccccn2)C2CC2)c1C c1ccc(nc1)[*:1] Cc1cccc(NC(=O)N(C[*:1])C2CC2)c1C
Cc1cccc(NC(=O)N(Cc2ccccn2)C2CC2)c1C c1ccc(C[*:1])nc1 Cc1cccc(NC(=O)N(C2CC2)[*:1])c1C
Cc1cccc(NC(=O)N(Cc2ccccn2)C2CC2)c1C C1CC1[*:1] Cc1cccc(NC(=O)N(Cc2ccccn2)[*:1])c1C
C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(cc1)[*:1]
C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(-n2ccnc2)cc1 O=S1(=O)CCCN1[*:1] C[C@H]([NH2+]CC[*:1])c1ccc(cc1)-n1ccnc1
Cc1cc(C)c(S(=O)(=O)NCCc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCC[*:1]
Cc1cc(C)c(S(=O)(=O)NCCc2ccccc2)c(C)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NC[*:1]
Cc1oc2nc(SCC(=O)NC3CC3)nc(NC(=O)c3ccccc3)c2c1C O=C(NC1CC1)[*:1] Cc1oc2nc(nc(NC(=O)c3ccccc3)c2c1C)SC[*:1]
Cc1oc2nc(SCC(=O)NC3CC3)nc(NC(=O)c3ccccc3)c2c1C c1ccc(cc1)[*:1] Cc1oc2nc(nc(NC(=O)[*:1])c2c1C)SCC(=O)NC1CC1
Cc1oc2nc(SCC(=O)NC3CC3)nc(NC(=O)c3ccccc3)c2c1C C1CC1[*:1] Cc1oc2nc(nc(NC(=O)c3ccccc3)c2c1C)SCC(=O)N[*:1]
Cc1oc2nc(SCC(=O)NC3CC3)nc(NC(=O)c3ccccc3)c2c1C O=C(N[*:1])c1ccccc1 Cc1oc2nc(nc(c2c1C)[*:1])SCC(=O)NC1CC1
Cc1oc2nc(SCC(=O)NC3CC3)nc(NC(=O)c3ccccc3)c2c1C O=C(CS[*:1])NC1CC1 Cc1oc2nc(nc(NC(=O)c3ccccc3)c2c1C)[*:1]
Cc1oc2nc(SCC(=O)NC3CC3)nc(NC(=O)c3ccccc3)c2c1C O=C(C[*:1])NC1CC1 Cc1oc2nc(nc(NC(=O)c3ccccc3)c2c1C)S[*:1]
O=C(Cc1ccc(OC(F)F)cc1)Oc1ccc2c(c1)OCCO2 FC(F)O[*:1] O=C(Cc1ccc(cc1)[*:1])Oc1ccc2OCCOc2c1
O=C(Cc1ccc(OC(F)F)cc1)Oc1ccc2c(c1)OCCO2 FC(F)[*:1] O=C(Cc1ccc(cc1)O[*:1])Oc1ccc2OCCOc2c1
O=C(/C=C/c1cccc2ccccc12)OCc1nncn1C1CC1 c1nnc(n1C1CC1)[*:1] O=C(/C=C/c1cccc2ccccc12)OC[*:1]
O=C(/C=C/c1cccc2ccccc12)OCc1nncn1C1CC1 C1CC1[*:1] O=C(/C=C/c1cccc2ccccc12)OCc1nncn1[*:1]
CCOc1cccc(/C(N)=N/C(=O)Cc2c(C)[nH]c3ccnn3c2=O)c1 CCO[*:1] Cc1[nH]c2ccnn2c(=O)c1CC(=O)/N=C(\N)c1cccc(c1)[*:1]
Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c(C)c1 CC(C)C[*:1] Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N(C2)[*:1])c(C)c1
Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c(C)c1 CC(C)[*:1] Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N(C2)C[*:1])c(C)c1
Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)CN1C[C@@H](CC1=O)C(=O)NCCO[*:1]
CCCc1nc(C[NH+](C)Cc2ccc(C)s2)cs1 CCC[*:1] Cc1ccc(C[NH+](C)Cc2csc(n2)[*:1])s1
CCCc1nc(C[NH+](C)Cc2ccc(C)s2)cs1 Cc1ccc(s1)[*:1] CCCc1nc(cs1)C[NH+](C)C[*:1]
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 c1coc(c1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(n1Cc1ccccc1)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1C[*:1]
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1[*:1]
CCCN(C(=O)[C@H](O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C([C@H](O)c1ccccc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCN(C(=O)[C@H](O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCN(C(=O)[C@H](O)[*:1])[C@H]1CCS(=O)(=O)C1
CCCN(C(=O)[C@H](O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCN(C(=O)[C@H](O)c1ccccc1)[*:1]
CC(=O)c1ccccc1NC(=O)CSc1nc(C)cs1 CC(=O)[*:1] Cc1csc(n1)SCC(=O)Nc1ccccc1[*:1]
CC(=O)c1ccccc1NC(=O)CSc1nc(C)cs1 Cc1csc(n1)[*:1] CC(=O)c1ccccc1NC(=O)CS[*:1]
COc1ccc(C[C@H](C)CNC(=O)c2ccc(-n3cnnc3)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccc(cc1)-n1cnnc1)C[*:1]
COc1ccc(C[C@H](C)CNC(=O)c2ccc(-n3cnnc3)cc2)cc1 c1nncn1[*:1] COc1ccc(cc1)C[C@H](C)CNC(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1CN1CC[NH+](C2CCSCC2)CC1 C1CC(CCS1)[*:1] Cc1noc(C)c1CN1CC[NH+](CC1)[*:1]
CCCC[S@@](=O)Cc1noc(-c2ccsc2)n1 CCC[*:1] O=[S@@](Cc1noc(n1)-c1ccsc1)C[*:1]
CCCC[S@@](=O)Cc1noc(-c2ccsc2)n1 CCCC[*:1] O=[S@@](Cc1noc(n1)-c1ccsc1)[*:1]
CCCC[S@@](=O)Cc1noc(-c2ccsc2)n1 c1cc(cs1)[*:1] CCCC[S@@](=O)Cc1noc(n1)[*:1]
COc1cccc(CC(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)c1 OCC[*:1] COc1cccc(c1)CC(=O)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
COc1cccc(CC(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N1CC[C@@]2(CCCN(CCO)C2=O)C1
CCC[NH2+]Cc1ccc(O[C@H](C)CC)cc1 CCC[*:1] CC[C@@H](C)Oc1ccc(cc1)C[NH2+][*:1]
CCC[NH2+]Cc1ccc(O[C@H](C)CC)cc1 CC[C@@H](C)O[*:1] CCC[NH2+]Cc1ccc(cc1)[*:1]
CCC[NH2+]Cc1ccc(O[C@H](C)CC)cc1 CC[C@@H](C)[*:1] CCC[NH2+]Cc1ccc(cc1)O[*:1]
CCN(CCC[NH3+])[C@@H]1CCO[C@]2(CCSC2)C1 [NH3+]CCC[*:1] CCN([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCN(CCC[NH3+])[C@@H]1CCO[C@]2(CCSC2)C1 [NH3+]CC[*:1] CCN(C[*:1])[C@@H]1CCO[C@]2(CCSC2)C1
COCC[NH2+]C[C@H]1CCCO[C@@H]1c1cc(Br)ccc1F COCC[*:1] Fc1ccc(Br)cc1[C@H]1OCCC[C@@H]1C[NH2+][*:1]
COCC[NH2+]C[C@H]1CCCO[C@@H]1c1cc(Br)ccc1F COC[*:1] Fc1ccc(Br)cc1[C@H]1OCCC[C@@H]1C[NH2+]C[*:1]
CCc1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2F)cc1[N+](=O)[O-] CN(C)C(=O)[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)Nc1cc(ccc1F)[*:1]
CCc1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])C(=O)Nc1cc(ccc1F)C(=O)N(C)C
O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)N[*:1]
O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)NCc1ccc(F)cc1 O=C(NCc1ccc(F)cc1)[*:1] O=c1c2c(cnn1C[*:1])c1ccccc1n2Cc1cccc(Cl)c1
O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)NCc1ccc(F)cc1 Clc1cccc(c1)[*:1] O=C(Cn1ncc2c3ccccc3n(C[*:1])c2c1=O)NCc1ccc(F)cc1
O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)NCc1ccc(F)cc1 Clc1cccc(c1)C[*:1] O=C(Cn1ncc2c3ccccc3n(c2c1=O)[*:1])NCc1ccc(F)cc1
O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)NC[*:1]
CN(Cc1ccccc1)c1ccccc1NC(=O)c1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] CN(Cc1ccccc1)c1ccccc1NC(=O)[*:1]
CN(Cc1ccccc1)c1ccccc1NC(=O)c1cccc[n+]1[O-] c1ccc(cc1)C[*:1] CN(c1ccccc1NC(=O)c1cccc[n+]1[O-])[*:1]
CN(Cc1ccccc1)c1ccccc1NC(=O)c1cccc[n+]1[O-] c1ccc(cc1)[*:1] CN(C[*:1])c1ccccc1NC(=O)c1cccc[n+]1[O-]
O=C(Nc1cccc(F)c1)c1cccc([N-]S(=O)(=O)CC2CCC2)c1 C1CC(C1)[*:1] O=C(Nc1cccc(F)c1)c1cccc(c1)[N-]S(=O)(=O)C[*:1]
O=C(Nc1cccc(F)c1)c1cccc([N-]S(=O)(=O)CC2CCC2)c1 C1CC(C1)C[*:1] O=C(Nc1cccc(F)c1)c1cccc(c1)[N-]S(=O)(=O)[*:1]
O=C(Nc1cccc(F)c1)c1cccc([N-]S(=O)(=O)CC2CCC2)c1 Fc1cccc(c1)[*:1] O=C(N[*:1])c1cccc(c1)[N-]S(=O)(=O)CC1CCC1
Cc1cc(C)c(S(=O)(=O)NNC(=O)Nc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NNC(=O)N[*:1]
C[C@@H]([NH3+])Cc1ccc(OCc2ncon2)cn1 c1nc(no1)[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)OC[*:1]
COc1ccc(C(=O)C[C@H](C#N)c2ccc(OC)cc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@@H](C#N)CC(=O)[*:1]
CCC[NH2+][C@@H](C(C)C)[C@@H](C)c1ccccc1Br CCC[*:1] CC(C)[C@H]([NH2+][*:1])[C@@H](C)c1ccccc1Br
CCC[NH2+][C@@H](C(C)C)[C@@H](C)c1ccccc1Br CC(C)[*:1] CCC[NH2+][C@@H]([C@@H](C)c1ccccc1Br)[*:1]
CS(=O)(=O)Cc1noc(CN2CCO[C@H](c3ccc(F)cc3)C2)n1 Fc1ccc(cc1)[*:1] CS(=O)(=O)Cc1noc(CN2CCO[C@H](C2)[*:1])n1
CS(=O)(=O)Cc1noc(CN2CCO[C@H](c3ccc(F)cc3)C2)n1 CS(=O)(=O)C[*:1] Fc1ccc(cc1)[C@@H]1CN(CCO1)Cc1nc(no1)[*:1]
CS(=O)(=O)Cc1noc(CN2CCO[C@H](c3ccc(F)cc3)C2)n1 CS(=O)(=O)[*:1] Fc1ccc(cc1)[C@@H]1CN(CCO1)Cc1nc(C[*:1])no1
CC1CCN([C@@H](CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2cccs2)CC1 CS(=O)(=O)[*:1] CC1CCN(CC1)[C@@H](CNS(=O)(=O)c1ccc(cc1)[*:1])c1cccs1
CC1CCN([C@@H](CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2cccs2)CC1 c1csc(c1)[*:1] CC1CCN(CC1)[C@@H](CNS(=O)(=O)c1ccc(cc1)S(C)(=O)=O)[*:1]
CC1CCN([C@@H](CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2cccs2)CC1 CC1CCN(CC1)[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)NC[C@@H](c1cccs1)[*:1]
CC[C@H](CCO)CNc1cc(C(=O)[O-])cc[nH+]1 O=C([O-])[*:1] CC[C@H](CCO)CNc1cc(cc[nH+]1)[*:1]
CC[C@H](CCO)CNc1cc(C(=O)[O-])cc[nH+]1 OCC[*:1] CC[C@H](CNc1cc(cc[nH+]1)C(=O)[O-])[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCCC1 CC(C)(C)[*:1] O=C(N[*:1])c1ccccc1NC(=O)C1CCCC1
CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCCC1 C1CCC(C1)[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCCC1 CC(C)(C)NC(=O)[*:1] O=C(Nc1ccccc1[*:1])C1CCCC1
Cc1cc(C(=O)N2CC(C(=O)Nc3ccc(Br)cc3)C2)no1 Brc1ccc(cc1)[*:1] Cc1cc(no1)C(=O)N1CC(C1)C(=O)N[*:1]
Cc1cc(C(=O)N2CC(C(=O)Nc3ccc(Br)cc3)C2)no1 Cc1cc(no1)[*:1] O=C(Nc1ccc(Br)cc1)C1CN(C1)C(=O)[*:1]
CN1CCN(C(=O)c2ccncc2)[C@@H](c2ccccc2)C1 c1cc(ccn1)[*:1] CN1CCN(C(=O)[*:1])[C@H](C1)c1ccccc1
CN1CCN(C(=O)c2ccncc2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)c2ccncc2)[C@@H](C1)[*:1]
COc1ccc([C@@H](C)NC(=O)Nc2cccc(Cl)c2Cl)cc1OC Clc1cccc(c1Cl)[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)N[*:1]
CC(C)(C)OC(=O)Nc1ccc(NC(=O)Cc2cc(F)ccc2F)cn1 Fc1ccc(F)c(c1)[*:1] CC(C)(C)OC(=O)Nc1ccc(cn1)NC(=O)C[*:1]
CC(C)(C)OC(=O)Nc1ccc(NC(=O)Cc2cc(F)ccc2F)cn1 CC(C)(C)[*:1] O=C(Cc1cc(F)ccc1F)Nc1ccc(nc1)NC(=O)O[*:1]
CC(C)(C)OC(=O)Nc1ccc(NC(=O)Cc2cc(F)ccc2F)cn1 CC(C)(C)OC(=O)N[*:1] O=C(Cc1cc(F)ccc1F)Nc1ccc(nc1)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 Clc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1
CC(=O)CSc1nc(N[C@@H](C)c2ccccc2)cc(C)c1C#N c1ccc(cc1)[*:1] CC(=O)CSc1nc(cc(C)c1C#N)N[C@@H](C)[*:1]
CC(=O)CSc1nc(N[C@@H](C)c2ccccc2)cc(C)c1C#N CC(=O)CS[*:1] Cc1cc(nc(c1C#N)[*:1])N[C@@H](C)c1ccccc1
CC(=O)CSc1nc(N[C@@H](C)c2ccccc2)cc(C)c1C#N CC(=O)[*:1] Cc1cc(nc(SC[*:1])c1C#N)N[C@@H](C)c1ccccc1
CC(=O)CSc1nc(N[C@@H](C)c2ccccc2)cc(C)c1C#N CC(=O)C[*:1] Cc1cc(nc(S[*:1])c1C#N)N[C@@H](C)c1ccccc1
O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccnc1 c1cncc(c1)[*:1] O=C(C[C@@H]1Oc2ccccc2NC1=O)N[*:1]
CC(C)[C@H](NC(=O)C[C@@H](O)c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)C[C@@H](O)c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)C[C@@H](O)c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C[C@@H](O)[*:1])c1ccccn1
CC(C)[C@H](NC(=O)C[C@@H](O)c1ccccc1)c1ccccn1 CC(C)[*:1] O=C(C[C@@H](O)c1ccccc1)N[C@H](c1ccccn1)[*:1]
O=C1CCc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2N1 Clc1ccc(cc1)[*:1] O=C1CCc2cc(ccc2N1)C(=O)N[*:1]
O=C(NCCc1ccccc1)NC[C@H](O)c1cccc(F)c1 c1ccc(cc1)C[*:1] O=C(NC[C@H](O)c1cccc(F)c1)NC[*:1]
O=C(NCCc1ccccc1)NC[C@H](O)c1cccc(F)c1 c1ccc(cc1)[*:1] O=C(NCC[*:1])NC[C@H](O)c1cccc(F)c1
O=C(NCCc1ccccc1)NC[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCc1ccccc1)NC[C@H](O)[*:1]
CC[C@@]1(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CC[C@]1(CCCN1C(=O)O[*:1])C(=O)N[C@@H](C)CN1CC[NH+](C)CC1
CC(=O)N1CCCc2cc(NC(=O)NC3(CO)CCCC3)ccc21 OCC1(CCCC1)[*:1] CC(=O)N1CCCc2cc(ccc21)NC(=O)N[*:1]
C[C@H](Sc1ccccn1)C(=O)N(C)CCc1ccccc1 c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)N(C)CCc1ccccc1
C[C@H](Sc1ccccn1)C(=O)N(C)CCc1ccccc1 c1ccc(nc1)S[*:1] C[C@H](C(=O)N(C)CCc1ccccc1)[*:1]
C[C@H](Sc1ccccn1)C(=O)N(C)CCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1ccccn1)C(=O)N(C)CC[*:1]
C[C@H](Sc1ccccn1)C(=O)N(C)CCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Sc1ccccn1)C(=O)N(C)C[*:1]
COc1ccc(-c2nc(C(=O)Oc3ccc(C)cc3OC)cs2)cc1 COc1ccc(cc1)[*:1] COc1cc(C)ccc1OC(=O)c1csc(n1)[*:1]
CC(C)(C)/C=C/C(=O)N1CCC[NH+](Cc2noc(C(C)(C)C)n2)CC1 CC(C)(C)[*:1] CC(C)(C)/C=C/C(=O)N1CCC[NH+](CC1)Cc1noc(n1)[*:1]
CC(C)(C)/C=C/C(=O)N1CCC[NH+](Cc2noc(C(C)(C)C)n2)CC1 CC(C)(C)C=C[*:1] CC(C)(C)c1nc(C[NH+]2CCCN(CC2)C(=O)[*:1])no1
CC(C)(C)/C=C/C(=O)N1CCC[NH+](Cc2noc(C(C)(C)C)n2)CC1 CC(C)(C)[*:1] CC(C)(C)c1nc(C[NH+]2CCCN(CC2)C(=O)C=C[*:1])no1
CSC[C@H](C)N(C)c1ccc(I)c(C)[nH+]1 CSC[C@H](C)[*:1] Cc1[nH+]c(ccc1I)N(C)[*:1]
CSC[C@H](C)N(C)c1ccc(I)c(C)[nH+]1 CSC[*:1] Cc1[nH+]c(ccc1I)N(C)[C@@H](C)[*:1]
CC(C)(C)c1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(N)=S)CC2)cc1 NC(=S)N[*:1] CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1c(Cl)cccc1[*:1]
CC(C)(C)c1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(N)=S)CC2)cc1 CC(C)(C)[*:1] NC(=S)Nc1cccc(Cl)c1N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
O=C(NCC1(O)CCCC1)c1ccc(F)c(F)c1 OC1(CCCC1)[*:1] O=C(NC[*:1])c1ccc(F)c(F)c1
CCOc1ccc(/C=N/NC(=O)c2ccccc2)cc1OC CCO[*:1] COc1cc(/C=N/NC(=O)c2ccccc2)ccc1[*:1]
CCOc1ccc(/C=N/NC(=O)c2ccccc2)cc1OC c1ccc(cc1)[*:1] CCOc1ccc(/C=N/NC(=O)[*:1])cc1OC
Cc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(S(N)(=O)=O)cc3)c12 NS(=O)(=O)[*:1] Cc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(cc3)[*:1])c12
Cc1ccc(-c2nnc(NC(=O)C(=O)N3CCC(C)CC3)s2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC1CCN(CC1)C(=O)C(=O)Nc1nnc(s1)[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl Clc1cnc(c(Cl)c1)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl c1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1[*:1])C(=O)Nc1ncc(Cl)cc1Cl
C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl c1coc(c1)[*:1] C[C@H](Sc1nnc(n1-c1ccccc1)[*:1])C(=O)Nc1ncc(Cl)cc1Cl
c1ccc2oc(-c3nn4c(-c5ccncc5)nnc4s3)cc2c1 c1cc(ccn1)[*:1] c1ccc2oc(cc2c1)-c1nn2c(nnc2s1)[*:1]
CC(C)Nc1ncccc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 CC(C)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)c1cccnc1N[*:1]
CC(C)Nc1ncccc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 CC(C)N[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)c1cccnc1[*:1]
COC(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1 COC(=O)[*:1] O=C(Nc1ncnc2sccc12)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2Cl)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)NCCNc1ccc(cc1Cl)[*:1]
Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(NCCNc1ccc(cc1Cl)[N+](=O)[O-])[*:1]
COc1ccc2c(c1)[C@@H]([NH2+]Cc1cnn(C)c1C)CCO2 Cc1c(cnn1C)[*:1] COc1ccc2OCC[C@H]([NH2+]C[*:1])c2c1
OCC(CO)(CCc1cccs1)c1cccc(Br)c1 c1csc(c1)C[*:1] OCC(CO)(C[*:1])c1cccc(Br)c1
OCC(CO)(CCc1cccs1)c1cccc(Br)c1 c1csc(c1)[*:1] OCC(CO)(CC[*:1])c1cccc(Br)c1
Clc1ccccc1-c1nc(Cn2nccc2-c2ccncc2)no1 Clc1ccccc1[*:1] c1cc(ccn1)-c1ccnn1Cc1noc(n1)[*:1]
Clc1ccccc1-c1nc(Cn2nccc2-c2ccncc2)no1 c1cc(ccn1)[*:1] Clc1ccccc1-c1nc(Cn2nccc2[*:1])no1
CN(Cc1ccc(F)c(F)c1)CN1C(=O)N[C@](C)(C2CC2)C1=O C1CC1[*:1] CN(Cc1ccc(F)c(F)c1)CN1C(=O)N[C@](C)(C1=O)[*:1]
C[NH+](C)CCCn1ccc2nc3ccn(Cc4ccc5c(c4)OCCO5)c(=O)c3cc2c1=O c1cc2OCCOc2cc1[*:1] C[NH+](C)CCCn1ccc2nc3ccn(C[*:1])c(=O)c3cc2c1=O
C[NH+](C)CCCn1ccc2nc3ccn(Cc4ccc5c(c4)OCCO5)c(=O)c3cc2c1=O c1cc2OCCOc2cc1C[*:1] C[NH+](C)CCCn1ccc2nc3ccn(c(=O)c3cc2c1=O)[*:1]
CCCc1nnc(NC(=O)C(=O)NCc2csc3ccccc23)s1 CCCc1nnc(s1)[*:1] O=C(NCc1csc2ccccc12)C(=O)N[*:1]
CCCc1nnc(NC(=O)C(=O)NCc2csc3ccccc23)s1 CCC[*:1] O=C(NCc1csc2ccccc12)C(=O)Nc1nnc(s1)[*:1]
CC(C)C[NH+](C)CC(=O)NC1CCCC1 CC(C)C[*:1] C[NH+](CC(=O)NC1CCCC1)[*:1]
CC(C)C[NH+](C)CC(=O)NC1CCCC1 C1CCC(C1)[*:1] CC(C)C[NH+](C)CC(=O)N[*:1]
CC(C)C[NH+](C)CC(=O)NC1CCCC1 CC(C)[*:1] C[NH+](CC(=O)NC1CCCC1)C[*:1]
CN(CCc1cccs1)C(=O)c1c(F)cc(Br)cc1F c1csc(c1)[*:1] CN(CC[*:1])C(=O)c1c(F)cc(Br)cc1F
CN(CCc1cccs1)C(=O)c1c(F)cc(Br)cc1F c1csc(c1)C[*:1] CN(C[*:1])C(=O)c1c(F)cc(Br)cc1F
C[C@@H](CC(=O)[O-])c1cn(C)c(=O)n(C)c1=O O=C([O-])C[*:1] C[C@@H](c1cn(C)c(=O)n(C)c1=O)[*:1]
C[C@@H](CC(=O)[O-])c1cn(C)c(=O)n(C)c1=O O=C([O-])[*:1] C[C@@H](C[*:1])c1cn(C)c(=O)n(C)c1=O
CCN(C[C@@H]1CCCO1)c1c(F)c(F)nc(F)c1F C1CO[C@@H](C1)C[*:1] CCN(c1c(F)c(F)nc(F)c1F)[*:1]
CCN(C[C@@H]1CCCO1)c1c(F)c(F)nc(F)c1F C1CO[C@@H](C1)[*:1] CCN(C[*:1])c1c(F)c(F)nc(F)c1F
COc1ccc2nc(S[C@@H](C(=O)NC[C@H]3CCCO3)C(C)C)[nH]c2c1 CC(C)[*:1] COc1ccc2nc([nH]c2c1)S[C@@H](C(=O)NC[C@H]1CCCO1)[*:1]
COc1ccc2nc(S[C@@H](C(=O)NC[C@H]3CCCO3)C(C)C)[nH]c2c1 C1CO[C@H](C1)[*:1] COc1ccc2nc([nH]c2c1)S[C@@H](C(=O)NC[*:1])C(C)C
COc1ccc2nc(S[C@@H](C(=O)NC[C@H]3CCCO3)C(C)C)[nH]c2c1 C1CO[C@H](C1)C[*:1] COc1ccc2nc([nH]c2c1)S[C@@H](C(=O)N[*:1])C(C)C
Cc1nc2ccc(NC(=O)C(=O)N[C@H](C)Cc3ccccc3F)cc2o1 Fc1ccccc1[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)N[C@H](C)C[*:1]
Cc1nc2ccc(NC(=O)C(=O)N[C@H](C)Cc3ccccc3F)cc2o1 Fc1ccccc1C[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)N[C@H](C)[*:1]
O=C([O-])CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 O=C([O-])CCNC(=O)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](C1)[*:1]
O=C([O-])CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 O=C([O-])[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)cc1
O=C([O-])CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 O=C([O-])C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)cc1
O=C([O-])CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 O=C([O-])CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)cc1
O=C([O-])CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C([O-])CCNC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CCCOc1cccc(CCNC(=O)[C@H]2CCO[C@H]2C)c1 CCCO[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCCc1cccc(c1)[*:1]
CCCOc1cccc(CCNC(=O)[C@H]2CCO[C@H]2C)c1 CCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCCc1cccc(c1)O[*:1]
Cc1ccc(-n2[nH]c(C(=O)N[C@H](C)CCc3cccn3C)cc2=O)cc1 Cn1cccc1[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N[C@H](C)CC[*:1]
Cc1ccc(-n2[nH]c(C(=O)N[C@H](C)CCc3cccn3C)cc2=O)cc1 Cc1ccc(cc1)[*:1] C[C@H](CCc1cccn1C)NC(=O)c1cc(=O)n([nH]1)[*:1]
Cc1ccc(-n2[nH]c(C(=O)N[C@H](C)CCc3cccn3C)cc2=O)cc1 Cn1cccc1C[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N[C@H](C)C[*:1]
Cc1ccc(-n2[nH]c(C(=O)N[C@H](C)CCc3cccn3C)cc2=O)cc1 Cn1cccc1CC[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N[C@H](C)[*:1]
COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)[*:1]
COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1
CC(C)[NH+](C)CC(=O)N1CCN(C)c2ccccc2C1 CC(C)[*:1] CN1CCN(Cc2ccccc21)C(=O)C[NH+](C)[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@]23C(=O)N(CC)c2ccccc23)s1 CCc1nnc(s1)[*:1] CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2[*:1]
CNC(=O)c1ccc(/C=C/C(=O)N(C)CCc2cccs2)cc1 c1csc(c1)[*:1] CNC(=O)c1ccc(/C=C/C(=O)N(C)CC[*:1])cc1
CNC(=O)c1ccc(/C=C/C(=O)N(C)CCc2cccs2)cc1 CNC(=O)[*:1] CN(CCc1cccs1)C(=O)/C=C/c1ccc(cc1)[*:1]
CNC(=O)c1ccc(/C=C/C(=O)N(C)CCc2cccs2)cc1 c1csc(c1)CC[*:1] CNC(=O)c1ccc(/C=C/C(=O)N(C)[*:1])cc1
CNC(=O)c1ccc(/C=C/C(=O)N(C)CCc2cccs2)cc1 c1csc(c1)C[*:1] CNC(=O)c1ccc(/C=C/C(=O)N(C)C[*:1])cc1
C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1)c1cnn(C)c1 FC(F)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(O[*:1])c(F)c1)c1cnn(C)c1
C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1)c1cnn(C)c1 FC(F)O[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(c(F)c1)[*:1])c1cnn(C)c1
C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1)[*:1]
Cc1cc(C)n2nc(C(=O)Nc3cc(C)nn3Cc3ccccn3)nc2n1 c1ccc(C[*:1])nc1 Cc1cc(C)n2nc(nc2n1)C(=O)Nc1cc(C)nn1[*:1]
Cc1cc(C)n2nc(C(=O)Nc3cc(C)nn3Cc3ccccn3)nc2n1 c1ccc(nc1)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Nc1cc(C)nn1C[*:1]
C[C@@H](c1ccccc1)[C@@H](C)NS(=O)(=O)Cc1ccon1 c1cc(no1)[*:1] C[C@@H](c1ccccc1)[C@@H](C)NS(=O)(=O)C[*:1]
C[C@@H](c1ccccc1)[C@@H](C)NS(=O)(=O)Cc1ccon1 c1ccc(cc1)[*:1] C[C@@H]([C@@H](C)NS(=O)(=O)Cc1ccon1)[*:1]
C[C@@H](c1ccccc1)[C@@H](C)NS(=O)(=O)Cc1ccon1 c1cc(C[*:1])no1 C[C@@H](c1ccccc1)[C@@H](C)NS(=O)(=O)[*:1]
O=C([O-])c1cccc2c1ccn2Cc1ccncc1 c1cc(ccn1)[*:1] O=C([O-])c1cccc2c1ccn2C[*:1]
O=C([O-])c1cccc2c1ccn2Cc1ccncc1 O=C([O-])[*:1] c1cc(c2ccn(Cc3ccncc3)c2c1)[*:1]
CCC[NH2+][C@H](C)C(C)(C)CN1CC[NH+](C2CC2)CC1 CCC[*:1] C[C@@H]([NH2+][*:1])C(C)(C)CN1CC[NH+](CC1)C1CC1
CCC[NH2+][C@H](C)C(C)(C)CN1CC[NH+](C2CC2)CC1 C1CC1[*:1] CCC[NH2+][C@H](C)C(C)(C)CN1CC[NH+](CC1)[*:1]
O=C(c1cccc(-n2cnnc2)c1)N1CCC([NH+]2CCc3ccccc3C2)CC1 c1nncn1[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)[NH+]1CCc2ccccc2C1
C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(F)cc2)c2ccccc21 C#CC[*:1] O=C1N(c2ccccc2[C@]12CC(O)=Nc1c2cnn1-c1ccc(F)cc1)[*:1]
C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(F)cc2)c2ccccc21 Fc1ccc(cc1)[*:1] C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3[*:1])c2ccccc21
O=C(CNC(=O)c1cccc(F)c1)OCC(=O)N1CCCc2ccccc21 Fc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])OCC(=O)N1CCCc2ccccc21
Cn1ncnc1C[C@@H](C[NH2+]C1CC1)c1ccc(Br)cc1 C1CC1[*:1] Cn1ncnc1C[C@@H](C[NH2+][*:1])c1ccc(Br)cc1
Cn1ncnc1C[C@@H](C[NH2+]C1CC1)c1ccc(Br)cc1 Cn1ncnc1[*:1] Brc1ccc(cc1)[C@H](C[NH2+]C1CC1)C[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)NCc2nnc3n2CCC3)c1C Cc1cccc(c1C)[*:1] O=C(NCc1nnc2CCCn21)N1CCC[C@H]1[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)NCc2nnc3n2CCC3)c1C C1Cc2nnc(n2C1)[*:1] Cc1cccc(c1C)[C@@H]1CCCN1C(=O)NC[*:1]
CC[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@@H](Sc1nc2ccccc2o1)C(=O)N[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O Fc1ccc(c(F)c1)[*:1] CC[C@@]1(NC(=O)N(C[C@H](O)[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O)[*:1]
O=C(NNC(=O)c1ccc(-c2cccc(Cl)c2)o1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NNC(=O)[*:1])c1ccc(o1)-c1cccc(Cl)c1
O=C(NNC(=O)c1ccc(-c2cccc(Cl)c2)o1)c1ccncc1 Clc1cccc(c1)[*:1] O=C(NNC(=O)c1ccc(o1)[*:1])c1ccncc1
COC(=O)C1=C[C@@H]2C(C(C)=O)=C(C)O[C@H]2O1 CC(=O)[*:1] COC(=O)C1=C[C@@H]2C(=C(C)O[C@H]2O1)[*:1]
COC(=O)C1=C[C@@H]2C(C(C)=O)=C(C)O[C@H]2O1 COC(=O)[*:1] CC(=O)C1=C(C)O[C@H]2OC(=C[C@H]12)[*:1]
CC(C)[C@@H](NC(=O)C1C[C@@H](C)O[C@H](C)C1)c1nnc2n1CCC2 CC(C)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N[C@@H](c1nnc2CCCn21)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)NC[C@H](O)c1ccsc1 Cc1ccccc1[*:1] C[C@H](CNC(=O)NC[C@H](O)c1ccsc1)O[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)NC[C@H](O)c1ccsc1 O[C@H](c1ccsc1)[*:1] Cc1ccccc1O[C@H](C)CNC(=O)NC[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)NC[C@H](O)c1ccsc1 c1cc(cs1)[*:1] Cc1ccccc1O[C@H](C)CNC(=O)NC[C@H](O)[*:1]
C=CC[NH+](CC(=O)[O-])CC(=O)NC(=O)NC O=C([O-])[*:1] C=CC[NH+](CC(=O)NC(=O)NC)C[*:1]
C=CC[NH+](CC(=O)[O-])CC(=O)NC(=O)NC C=CC[*:1] CNC(=O)NC(=O)C[NH+](CC(=O)[O-])[*:1]
O=S(=O)(N[C@H]1CCCC[C@@H]1n1cc(-c2ccccc2)nn1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(N[C@H]1CCCC[C@@H]1n1cc(nn1)-c1ccccc1)[*:1]
O=S(=O)(N[C@H]1CCCC[C@@H]1n1cc(-c2ccccc2)nn1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(N[C@H]1CCCC[C@@H]1n1cc(nn1)[*:1])c1ccccc1
CC(C)[C@@H](CO)Nc1nc2c(cc1C#N)CCCC2 CC(C)[C@@H](CO)[*:1] N#Cc1cc2CCCCc2nc1N[*:1]
CC(C)[C@@H](CO)Nc1nc2c(cc1C#N)CCCC2 CC(C)[*:1] N#Cc1cc2CCCCc2nc1N[C@H](CO)[*:1]
Cn1cccc1[C@@H](CNC(=O)C(=O)NC1CC1)[NH+]1CCCC1 Cn1cccc1[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])C(=O)NC1CC1
Cn1cccc1[C@@H](CNC(=O)C(=O)NC1CC1)[NH+]1CCCC1 C1CC1[*:1] Cn1cccc1[C@@H](CNC(=O)C(=O)N[*:1])[NH+]1CCCC1
CC[C@@H](C)c1ccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@H]3[C@H](O)[C@H]2NC(C)=O)cc1 CC(=O)N[*:1] CC[C@@H](C)c1ccc(cc1)O[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@@H]1[*:1]
CC[C@@H](C)c1ccc(O[C@@H]2O[C@@H]3COC(C)(C)O[C@H]3[C@H](O)[C@H]2NC(C)=O)cc1 CC[C@@H](C)[*:1] CC(=O)N[C@H]1[C@H](Oc2ccc(cc2)[*:1])O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O
Cc1ccccc1SCC(=O)Nc1nnc(-c2ccsc2)s1 Cc1ccccc1[*:1] O=C(CS[*:1])Nc1nnc(s1)-c1ccsc1
Cc1ccccc1SCC(=O)Nc1nnc(-c2ccsc2)s1 c1cc(cs1)[*:1] Cc1ccccc1SCC(=O)Nc1nnc(s1)[*:1]
Cc1ccc2nc(SCC(=O)NCc3ccccc3[N+](=O)[O-])[nH]c2c1 O=[N+]([O-])[*:1] Cc1ccc2nc([nH]c2c1)SCC(=O)NCc1ccccc1[*:1]
CC[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1N1CCOCC1 O=S1(=O)CC[C@H](C1)[*:1] CC[C@H]1CN(C[C@H]1N1CCOCC1)C(=O)[*:1]
CC[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1N1CCOCC1 C1CN(CCO1)[*:1] CC[C@H]1CN(C[C@@H]1[*:1])C(=O)[C@@H]1CCS(=O)(=O)C1
CCOC(OCC)C(=O)c1cc(C)cnc1N CCO[*:1] CCOC(C(=O)c1cc(C)cnc1N)[*:1]
O=C(Cn1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2)NCc1ccc(F)cc1 c1ccc2oc(cc2c1)[*:1] O=C(Cn1nc2CSCc2c1NC(=O)[*:1])NCc1ccc(F)cc1
O=C(Cn1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1nc2CSCc2c1NC(=O)c1cc2ccccc2o1)NC[*:1]
O=C(Cn1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(Cn1nc2CSCc2c1NC(=O)c1cc2ccccc2o1)N[*:1]
Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(C)CC3)nnc12 Cc1cccc(C)c1[*:1] CC1CCN(CC1)C(=O)CSc1nnc2n(c(=O)c3ccccc3n12)[*:1]
Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(C)CC3)nnc12 CC1CCN(CC1)C(=O)CS[*:1] Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(nnc12)[*:1]
Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(C)CC3)nnc12 CC1CCN(CC1)C(=O)C[*:1] Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(nnc12)S[*:1]
Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(C)CC3)nnc12 CC1CCN(CC1)C(=O)[*:1] Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(nnc12)SC[*:1]
Cc1cccc(C(C)C)c1NC(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] Cc1cccc(c1NC(=O)NCc1cn(nn1)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)NCc1cn(-c2ccccc2)nn1 CC(C)[*:1] Cc1cccc(c1NC(=O)NCc1cn(nn1)-c1ccccc1)[*:1]
S=C=Nc1ccc(N2CCOCC2)nc1 S=C=N[*:1] c1cc(ncc1[*:1])N1CCOCC1
C[C@@H](NC(=O)CCOc1ccc(C=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCOc1ccc(C=O)cc1)[*:1]
CCCCN(CC(N)=O)c1ncnc(OC)c1N NC(=O)C[*:1] CCCCN(c1ncnc(OC)c1N)[*:1]
CCCCN(CC(N)=O)c1ncnc(OC)c1N CCCC[*:1] COc1ncnc(c1N)N(CC(N)=O)[*:1]
CCCCN(CC(N)=O)c1ncnc(OC)c1N NC(=O)[*:1] CCCCN(C[*:1])c1ncnc(OC)c1N
CCCCN(CC(N)=O)c1ncnc(OC)c1N CCC[*:1] COc1ncnc(c1N)N(CC(N)=O)C[*:1]
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 c1cncc(c1)[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 O=C(Nc1cccnc1)[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(c(Cl)c1)[*:1]
C[C@H](O)[C@@H](C)N1CC[NH2+]CC1(C)C C[C@H](O)[*:1] C[C@@H](N1CC[NH2+]CC1(C)C)[*:1]
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C3=c4ccccc4=[NH+]C3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C1C[NH+]=c2ccccc2=1)N1CCCN(CC1)S(=O)(=O)[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)[C@H]1CC(=O)N(C(C)C)C1 Cc1ccccc1[*:1] CC(C)N1C[C@H](CC1=O)C(=O)N[C@@H](C#N)[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)[C@H]1CC(=O)N(C(C)C)C1 CC(C)[*:1] Cc1ccccc1[C@H](C#N)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)[C@H](C)Oc1cccc(C=O)c1 O=Cc1cccc(c1)[*:1] CC(C)Oc1ccc(F)cc1NC(=O)[C@H](C)O[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)[C@H](C)Oc1cccc(C=O)c1 CC(C)O[*:1] C[C@H](Oc1cccc(C=O)c1)C(=O)Nc1cc(F)ccc1[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)[C@H](C)Oc1cccc(C=O)c1 CC(C)[*:1] C[C@H](Oc1cccc(C=O)c1)C(=O)Nc1cc(F)ccc1O[*:1]
Cc1cc(C(=O)N2CCN(CCNC(=O)CC3CCCC3)CC2)no1 C1CCC(C1)[*:1] Cc1cc(no1)C(=O)N1CCN(CCNC(=O)C[*:1])CC1
Cc1cc(C(=O)N2CCN(CCNC(=O)CC3CCCC3)CC2)no1 Cc1cc(no1)[*:1] O=C(CC1CCCC1)NCCN1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCN(CCNC(=O)CC3CCCC3)CC2)no1 C1CCC(C1)C[*:1] Cc1cc(no1)C(=O)N1CCN(CCNC(=O)[*:1])CC1
O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)c2c[nH]cn2)CC1 Fc1ccc(cc1F)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1c[nH]cn1
CCC(=O)c1ccc(OCC(=O)NCc2csc(N)n2)cc1 Nc1nc(cs1)C[*:1] CCC(=O)c1ccc(cc1)OCC(=O)N[*:1]
CCC(=O)c1ccc(OCC(=O)NCc2csc(N)n2)cc1 Nc1nc(cs1)[*:1] CCC(=O)c1ccc(cc1)OCC(=O)NC[*:1]
CCC(=O)c1ccc(OCC(=O)NCc2csc(N)n2)cc1 CCC(=O)[*:1] Nc1nc(cs1)CNC(=O)COc1ccc(cc1)[*:1]
CN(C)c1ccc(F)cc1CO CN(C)[*:1] OCc1cc(F)ccc1[*:1]
NC1=NC(=O)[C@@H](CC(=O)N[C@H](c2ccccc2)C2CCCC2)S1 c1ccc(cc1)[*:1] NC1=NC(=O)[C@@H](CC(=O)N[C@H](C2CCCC2)[*:1])S1
NC1=NC(=O)[C@@H](CC(=O)N[C@H](c2ccccc2)C2CCCC2)S1 C1CCC(C1)[*:1] NC1=NC(=O)[C@@H](CC(=O)N[C@H](c2ccccc2)[*:1])S1
O=C(COc1ccc(Cl)c2ccccc12)Nc1nc2c(s1)CCC2 C1Cc2nc(sc2C1)[*:1] O=C(COc1ccc(Cl)c2ccccc12)N[*:1]
CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(OCC(F)F)n2)C12CCC2 FC(F)CO[*:1] CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(n2)[*:1])C12CCC2
CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(OCC(F)F)n2)C12CCC2 FC(F)[*:1] CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(n2)OC[*:1])C12CCC2
CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(OCC(F)F)n2)C12CCC2 FC(F)C[*:1] CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(n2)O[*:1])C12CCC2
CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(OCC(F)F)n2)C12CCC2 CCO[*:1] CN(C(=O)c1cccc(n1)OCC(F)F)[C@@H]1C[C@@H](C12CCC2)[*:1]
O=C1CCc2cc(NS(=O)(=O)CCN3C(=O)CCCC3=O)ccc2N1 O=C1CCCC(=O)N1[*:1] O=C1CCc2cc(ccc2N1)NS(=O)(=O)CC[*:1]
Cc1nc2cc(C(=O)NCC(=O)NCc3ccco3)ccc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2cc(ccc2n1[*:1])C(=O)NCC(=O)NCc1ccco1
Cc1nc2cc(C(=O)NCC(=O)NCc3ccco3)ccc2n1-c1ccccc1 c1coc(c1)[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)NCC(=O)NC[*:1]
Cc1nc2cc(C(=O)NCC(=O)NCc3ccco3)ccc2n1-c1ccccc1 c1coc(c1)C[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)NCC(=O)N[*:1]
Cc1nc2cc(C(=O)NCC(=O)NCc3ccco3)ccc2n1-c1ccccc1 O=C(NCc1ccco1)[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)NC[*:1]
CC(=O)C1=CC[C@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C CC(=O)[*:1] C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]3CC=C([C@]3(C)CC[C@H]12)[*:1]
CCC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)C2CCCCC2)C1 CCC(=O)N[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)[*:1])C1CCCCC1
CCC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)C2CCCCC2)C1 C1CCC(CC1)[*:1] CCC(=O)N[C@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
COc1ccccc1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCOCC1)CN2c1ccccc1 O=C(C[*:1])N1CCOCC1 COc1ccccc1C(=O)N1CCC2(CC1)C(=O)N(CN2c1ccccc1)[*:1]
COc1ccccc1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCOCC1)CN2c1ccccc1 O=C(N1CCOCC1)[*:1] COc1ccccc1C(=O)N1CCC2(CC1)C(=O)N(CN2c1ccccc1)C[*:1]
COc1ccccc1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCOCC1)CN2c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCOCC1)CN2[*:1]
COc1ccccc1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCOCC1)CN2c1ccccc1 COc1ccccc1[*:1] O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)[*:1])C1=O)N1CCOCC1
CN(Cc1cc(Br)cs1)C[C@H]1Cc2[nH+]c[nH]c2CN1 Brc1csc(c1)[*:1] CN(C[C@H]1Cc2[nH+]c[nH]c2CN1)C[*:1]
CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(O)c(F)c2)s1 Oc1ccc(cc1F)[*:1] CCc1nc(C)c(s1)[C@@H](C)N(C)C(=O)NC[*:1]
CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(O)c(F)c2)s1 CCc1nc(C)c(s1)[*:1] C[C@@H](N(C)C(=O)NCc1ccc(O)c(F)c1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1ccc(Cl)c2cccnc12 CCS(=O)(=O)C[*:1] CN(C[*:1])C(=O)c1ccc(Cl)c2cccnc12
CCS(=O)(=O)CCN(C)C(=O)c1ccc(Cl)c2cccnc12 CCS(=O)(=O)[*:1] CN(CC[*:1])C(=O)c1ccc(Cl)c2cccnc12
CCS(=O)(=O)CCN(C)C(=O)c1ccc(Cl)c2cccnc12 CCS(=O)(=O)CC[*:1] CN(C(=O)c1ccc(Cl)c2cccnc12)[*:1]
CCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)no1 CCCc1cc(no1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1[*:1]
CCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)no1 COc1ccc(cc1)[*:1] CCCc1cc(no1)[C@H]1CCCN1S(=O)(=O)[*:1]
CCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)no1 CCC[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1c1cc(on1)[*:1]
CCSc1ccc(NC(=O)NCc2cn(C)nc2CC)cn1 CCS[*:1] CCc1nn(C)cc1CNC(=O)Nc1ccc(nc1)[*:1]
CN(C)c1ccc(F)cc1Cl CN(C)[*:1] Fc1ccc(c(Cl)c1)[*:1]
CCNc1cccc(CSc2nc(N)cc(N)n2)n1 CCN[*:1] Nc1cc(N)nc(n1)SCc1cccc(n1)[*:1]
CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl c1ncn(n1)[*:1] CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(cc1Cl)[*:1]
O=C(NC1CC1)c1nnn(-c2ccccc2)c1-c1cccnc1 O=C(NC1CC1)[*:1] c1ccc(cc1)-n1nnc(c1-c1cccnc1)[*:1]
O=C(NC1CC1)c1nnn(-c2ccccc2)c1-c1cccnc1 C1CC1[*:1] O=C(N[*:1])c1nnn(-c2ccccc2)c1-c1cccnc1
O=C(NC1CC1)c1nnn(-c2ccccc2)c1-c1cccnc1 c1ccc(cc1)[*:1] O=C(NC1CC1)c1nnn(c1-c1cccnc1)[*:1]
O=C(NC1CC1)c1nnn(-c2ccccc2)c1-c1cccnc1 c1cncc(c1)[*:1] O=C(NC1CC1)c1nnn(-c2ccccc2)c1[*:1]
Cc1cccc(C(=O)NCc2cc(-c3ccccc3F)on2)c1 Fc1ccccc1[*:1] Cc1cccc(c1)C(=O)NCc1cc(on1)[*:1]
Cc1cccc(C(=O)NCc2cc(-c3ccccc3F)on2)c1 Cc1cccc(c1)[*:1] O=C(NCc1cc(on1)-c1ccccc1F)[*:1]
Cn1c(S[C@H]2CCC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)n[nH]c1=O Cn1c(n[nH]c1=O)[*:1] O=C([O-])[C@]1(CCC[C@@H](C1)S[*:1])[NH2+]C1CC1
Cn1c(S[C@H]2CCC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)n[nH]c1=O O=C([O-])[*:1] Cn1c(n[nH]c1=O)S[C@H]1CCC[C@@](C1)([NH2+]C1CC1)[*:1]
Cn1c(S[C@H]2CCC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)n[nH]c1=O C1CC1[*:1] Cn1c(n[nH]c1=O)S[C@H]1CCC[C@](C1)([NH2+][*:1])C(=O)[O-]
CCn1c(SCC(=O)N2CCOCC2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 O=C(C[*:1])N1CCOCC1 CCn1c(nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1)S[*:1]
CCn1c(SCC(=O)N2CCOCC2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 O=C(N1CCOCC1)[*:1] CCn1c(nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1)SC[*:1]
CCn1c(SCC(=O)N2CCOCC2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCn1c(nnc1[C@H](C)NC(=O)[*:1])SCC(=O)N1CCOCC1
COc1ccc([C@H](CNC(=O)c2ccccc2S(C)(=O)=O)[NH+](C)C)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)[C@H](CNC(=O)c1ccccc1[*:1])[NH+](C)C
COc1ccc([C@H](CNC(=O)c2ccccc2S(C)(=O)=O)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccccc1S(C)(=O)=O)[*:1]
C=CCNS(=O)(=O)c1cc(Br)sc1C C=CC[*:1] Cc1sc(Br)cc1S(=O)(=O)N[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N2C(=O)CN1Cc1ccccc1Cl Clc1ccccc1[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N2C(=O)CN1C[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N2C(=O)CN1Cc1ccccc1Cl c1ccc(cc1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](N2C(=O)CN1Cc1ccccc1Cl)[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N2C(=O)CN1Cc1ccccc1Cl Clc1ccccc1C[*:1] O=C1CN(C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N12)[*:1]
OC[C@@H](Cc1ccccc1)NCc1cnc(-c2cccs2)s1 c1csc(c1)[*:1] OC[C@@H](Cc1ccccc1)NCc1cnc(s1)[*:1]
OC[C@@H](Cc1ccccc1)NCc1cnc(-c2cccs2)s1 c1ccc(cc1)C[*:1] OC[C@@H](NCc1cnc(s1)-c1cccs1)[*:1]
OC[C@@H](Cc1ccccc1)NCc1cnc(-c2cccs2)s1 c1ccc(cc1)[*:1] OC[C@@H](C[*:1])NCc1cnc(s1)-c1cccs1
COCCC(=O)N1CCCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 COCC[*:1] Cc1nc(cc(n1)[C@@H]1CCCCN1C(=O)[*:1])Nc1ccccn1
COCCC(=O)N1CCCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 c1ccc(nc1)[*:1] COCCC(=O)N1CCCC[C@H]1c1cc(nc(C)n1)N[*:1]
COCCC(=O)N1CCCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 c1ccc(nc1)N[*:1] COCCC(=O)N1CCCC[C@H]1c1cc(nc(C)n1)[*:1]
COCCC(=O)N1CCCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 COC[*:1] Cc1nc(cc(n1)[C@@H]1CCCCN1C(=O)C[*:1])Nc1ccccn1
COCCCn1c(=C(C#N)C#N)s/c(=C/c2cccc(Cl)c2Cl)c1=O Clc1cccc(c1Cl)[*:1] COCCCn1c(sc(=C[*:1])c1=O)=C(C#N)C#N
COCCCn1c(=C(C#N)C#N)s/c(=C/c2cccc(Cl)c2Cl)c1=O COC[*:1] N#CC(C#N)=c1s/c(=C/c2cccc(Cl)c2Cl)c(=O)n1CC[*:1]
COCCCn1c(=C(C#N)C#N)s/c(=C/c2cccc(Cl)c2Cl)c1=O COCCC[*:1] N#CC(C#N)=c1s/c(=C/c2cccc(Cl)c2Cl)c(=O)n1[*:1]
COCCCn1c(=C(C#N)C#N)s/c(=C/c2cccc(Cl)c2Cl)c1=O COCC[*:1] N#CC(C#N)=c1s/c(=C/c2cccc(Cl)c2Cl)c(=O)n1C[*:1]
OCCCc1nc(C[C@H]2CCCO2)no1 OCC[*:1] C1CO[C@H](C1)Cc1noc(C[*:1])n1
OCCCc1nc(C[C@H]2CCCO2)no1 C1CO[C@H](C1)[*:1] OCCCc1nc(C[*:1])no1
OCCCc1nc(C[C@H]2CCCO2)no1 OCCC[*:1] C1CO[C@H](C1)Cc1noc(n1)[*:1]
CCCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(C)s1 CCC[*:1] Cc1ccc(NC(=O)C(=O)NCc2ccc(C)s2)c(c1)O[*:1]
CCCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(C)s1 CCCO[*:1] Cc1ccc(NC(=O)C(=O)NCc2ccc(C)s2)c(c1)[*:1]
CCCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(C)s1 Cc1ccc(s1)[*:1] CCCOc1cc(C)ccc1NC(=O)C(=O)NC[*:1]
CCCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(C)s1 Cc1ccc(C[*:1])s1 CCCOc1cc(C)ccc1NC(=O)C(=O)N[*:1]
Cc1ccccc1NC(=O)C(=O)NCC[C@H](O)C(C)C CC(C)[C@@H](O)C[*:1] Cc1ccccc1NC(=O)C(=O)NC[*:1]
Cc1ccccc1NC(=O)C(=O)NCC[C@H](O)C(C)C CC(C)[C@@H](O)[*:1] Cc1ccccc1NC(=O)C(=O)NCC[*:1]
Cc1ccccc1NC(=O)C(=O)NCC[C@H](O)C(C)C CC(C)[*:1] Cc1ccccc1NC(=O)C(=O)NCC[C@H](O)[*:1]
CCN(c1ccccc1)c1ncnc2c1cnn2-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(c1ccccc1)c1ncnc2c1cnn2[*:1]
CCN(c1ccccc1)c1ncnc2c1cnn2-c1ccc(C)cc1 c1ccc(cc1)[*:1] CCN(c1ncnc2c1cnn2-c1ccc(C)cc1)[*:1]
COCC(=O)NCCNC(=O)c1ccccc1Cl COCC(=O)N[*:1] O=C(NCC[*:1])c1ccccc1Cl
COCC(=O)NCCNC(=O)c1ccccc1Cl COC[*:1] O=C(NCCNC(=O)[*:1])c1ccccc1Cl
CN(C)C(=O)c1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 CN(C)C(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC(CC1)[NH+]1CCCC1
Cc1ccc(C(C)(C)CN(C)C(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1 Cc1ccc(cc1)[*:1] CN(CC(C)(C)[*:1])C(=O)C(=O)Nc1ccc(nc1)N(C)C
Cc1ccc(C(C)(C)CN(C)C(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1 CN(C)[*:1] Cc1ccc(cc1)C(C)(C)CN(C)C(=O)C(=O)Nc1ccc(nc1)[*:1]
Cc1ccc(C(C)(C)CN(C)C(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1 CN(C)c1ccc(cn1)[*:1] Cc1ccc(cc1)C(C)(C)CN(C)C(=O)C(=O)N[*:1]
COC(=O)c1ncn2c1C(=O)N(c1ccc(C)c(F)c1)[C@@](C)(C(=O)NCc1ccccc1OC)C2 Cc1ccc(cc1F)[*:1] COC(=O)c1ncn2C[C@](C)(C(=O)NCc3ccccc3OC)N(C(=O)c12)[*:1]
COC(=O)c1ncn2c1C(=O)N(c1ccc(C)c(F)c1)[C@@](C)(C(=O)NCc1ccccc1OC)C2 COc1ccccc1[*:1] COC(=O)c1ncn2C[C@](C)(C(=O)NC[*:1])N(C(=O)c12)c1ccc(C)c(F)c1
COC(=O)c1ncn2c1C(=O)N(c1ccc(C)c(F)c1)[C@@](C)(C(=O)NCc1ccccc1OC)C2 COc1ccccc1C[*:1] COC(=O)c1ncn2C[C@](C)(C(=O)N[*:1])N(C(=O)c12)c1ccc(C)c(F)c1
COC(=O)c1ncn2c1C(=O)N(c1ccc(C)c(F)c1)[C@@](C)(C(=O)NCc1ccccc1OC)C2 COC(=O)[*:1] COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(c2C(=O)N1c1ccc(C)c(F)c1)[*:1]
CCO[C@@H]1C[C@H](NC(=O)N2CCCN(C(C)=O)CC2)C12CCC2 CCO[*:1] CC(=O)N1CCCN(CC1)C(=O)N[C@H]1C[C@H](C12CCC2)[*:1]
CCNC(=O)[C@@H]1CNCCN1C(=O)NC1CCCC1 C1CCC(C1)[*:1] CCNC(=O)[C@@H]1CNCCN1C(=O)N[*:1]
CCNC(=O)[C@@H]1CNCCN1C(=O)NC1CCCC1 CCNC(=O)[*:1] O=C(NC1CCCC1)N1CCNC[C@H]1[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)N[C@H](CO)c1ccc(Cl)cc1 CS(=O)(=O)C[*:1] C[C@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)N[C@H](CO)c1ccc(Cl)cc1 CS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)N[C@H](CO)c1ccc(Cl)cc1
C[C@H](CS(C)(=O)=O)NC(=O)N[C@H](CO)c1ccc(Cl)cc1 C[C@H](CS(C)(=O)=O)[*:1] O=C(N[C@H](CO)c1ccc(Cl)cc1)N[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CS(C)(=O)=O)NC(=O)N[C@H](CO)[*:1]
CC(C)C[C@@H](OC(=O)c1cnns1)c1ccccn1 CC(C)[*:1] O=C(O[C@H](C[*:1])c1ccccn1)c1cnns1
CC(C)C[C@@H](OC(=O)c1cnns1)c1ccccn1 CC(C)C[*:1] O=C(O[C@@H](c1ccccn1)[*:1])c1cnns1
CC(C)C[C@@H](OC(=O)c1cnns1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)C[C@@H](OC(=O)c1cnns1)[*:1]
CC(C)C[C@@H](OC(=O)c1cnns1)c1ccccn1 c1nnsc1[*:1] CC(C)C[C@@H](OC(=O)[*:1])c1ccccn1
COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3F)[C@H]2c2ccccc2OC)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)N1C(=O)CC[C@H](C(=O)N[*:1])[C@H]1c1ccccc1OC
COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3F)[C@H]2c2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1[C@H](CCC(=O)N1[*:1])C(=O)Nc1ccccc1F
COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3F)[C@H]2c2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)N1C(=O)CC[C@H](C(=O)Nc2ccccc2F)[C@@H]1[*:1]
COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3F)[C@H]2c2ccccc2OC)cc1 O=C(Nc1ccccc1F)[*:1] COc1ccc(cc1)N1C(=O)CC[C@H]([C@H]1c1ccccc1OC)[*:1]
CCO[C@@H](C)c1nc(CN(C)C(=O)c2cccc3ccc(C)nc23)cs1 CCO[*:1] Cc1ccc2cccc(C(=O)N(C)Cc3csc(n3)[C@H](C)[*:1])c2n1
CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cn1ncc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] CC1(C)CO[C@H](CN1Cn1ncc2ccc(cc21)[*:1])c1ccccc1Cl
CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cn1ncc2ccc([N+](=O)[O-])cc21 Clc1ccccc1[*:1] CC1(C)CO[C@@H](CN1Cn1ncc2ccc(cc21)[N+](=O)[O-])[*:1]
C[C@@H](NC(=O)c1cc2ccccn2c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cc2ccccn2c1)[*:1]
O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)NNc1ccc(F)cc1 C1C[C@@H](CO1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])NNc1ccc(F)cc1
O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)NNc1ccc(F)cc1 C1CN(CCO1)[*:1] O=C(NC[C@H]([C@H]1CCOC1)[*:1])NNc1ccc(F)cc1
O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)NNc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)NN[*:1]
Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@]2(C)Sc3ccccc3NC2=O)cc1 Cc1ccc(cc1)[*:1] C[C@]1(Sc2ccccc2NC1=O)C(=O)Nc1c(oc2ccccc12)C(=O)[*:1]
Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@]2(C)Sc3ccccc3NC2=O)cc1 Cc1ccc(cc1)C(=O)[*:1] C[C@]1(Sc2ccccc2NC1=O)C(=O)Nc1c(oc2ccccc12)[*:1]
O=C(NC1CC1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1
O=C(NC1CC1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NC1CC1)c1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
O=C(NC1CC1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 O=C(NC1CC1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCCc2cc(ccc21)[*:1]
Cn1c(-n2ncc(N(CCO)Cc3ccccc3)c(Cl)c2=O)nc2ccccc21 OCC[*:1] Cn1c(nc2ccccc21)-n1ncc(c(Cl)c1=O)N(Cc1ccccc1)[*:1]
Cn1c(-n2ncc(N(CCO)Cc3ccccc3)c(Cl)c2=O)nc2ccccc21 c1ccc(cc1)C[*:1] Cn1c(nc2ccccc21)-n1ncc(c(Cl)c1=O)N(CCO)[*:1]
Cn1c(-n2ncc(N(CCO)Cc3ccccc3)c(Cl)c2=O)nc2ccccc21 c1ccc(cc1)[*:1] Cn1c(nc2ccccc21)-n1ncc(c(Cl)c1=O)N(CCO)C[*:1]
C[C@H]1C[C@H]1NC(=O)CSc1nnnn1C1CC1 C1CC1[*:1] C[C@H]1C[C@H]1NC(=O)CSc1nnnn1[*:1]
C[C@H]1C[C@H]1NC(=O)CSc1nnnn1C1CC1 C[C@H]1C[C@@H]1[*:1] O=C(CSc1nnnn1C1CC1)N[*:1]
CCCS(=O)(=O)N1CCN(C)C(=O)C1(C)C CCC[*:1] CN1CCN(C(C)(C)C1=O)S(=O)(=O)[*:1]
Cc1cc(C(=O)NC[C@@H](O)Cc2ccccc2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NC[C@@H](O)C[*:1])c(C)o1
O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)NC1CCCC1 c1ccc(nc1)[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])NC1CCCC1
O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)C(=O)Nc1ccccn1)N[*:1]
CN(Cc1cccc(NC(=O)c2ccccc2-n2cccn2)c1)C(=O)OC(C)(C)C CN(C(=O)OC(C)(C)C)[*:1] O=C(Nc1cccc(c1)C[*:1])c1ccccc1-n1cccn1
CN(Cc1cccc(NC(=O)c2ccccc2-n2cccn2)c1)C(=O)OC(C)(C)C c1cnn(c1)[*:1] CN(Cc1cccc(c1)NC(=O)c1ccccc1[*:1])C(=O)OC(C)(C)C
CN(Cc1cccc(NC(=O)c2ccccc2-n2cccn2)c1)C(=O)OC(C)(C)C CN(C[*:1])C(=O)OC(C)(C)C O=C(Nc1cccc(c1)[*:1])c1ccccc1-n1cccn1
CN(Cc1cccc(NC(=O)c2ccccc2-n2cccn2)c1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(Cc1cccc(c1)NC(=O)c1ccccc1-n1cccn1)C(=O)O[*:1]
COc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1Cl)CNc1ccc(cc1[*:1])[N+](=O)[O-]
COc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1Cl)CNc1ccc(cc1[N+](=O)[O-])[*:1]
COC(=O)[C@@H](C)OC(=O)c1cc2ccc(OC)cc2nc1C COC(=O)[C@@H](C)[*:1] COc1ccc2cc(C(=O)O[*:1])c(C)nc2c1
COC(=O)[C@@H](C)OC(=O)c1cc2ccc(OC)cc2nc1C COC(=O)[*:1] COc1ccc2cc(C(=O)O[C@H](C)[*:1])c(C)nc2c1
Nc1cc(CCCNC(=O)Cc2ccccc2Cl)nn1-c1ccccc1 c1ccc(cc1)[*:1] Nc1cc(CCCNC(=O)Cc2ccccc2Cl)nn1[*:1]
Nc1cc(CCCNC(=O)Cc2ccccc2Cl)nn1-c1ccccc1 Clc1ccccc1C[*:1] Nc1cc(CCCNC(=O)[*:1])nn1-c1ccccc1
Nc1cc(CCCNC(=O)Cc2ccccc2Cl)nn1-c1ccccc1 Clc1ccccc1[*:1] Nc1cc(CCCNC(=O)C[*:1])nn1-c1ccccc1
COc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)n(C)c(=O)n3C)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(/C=C(/C#N)C(=O)N[*:1])ccc21
Cc1occc1CN(C)Cc1ccc([N+](=O)[O-])c(N)c1 O=[N+]([O-])[*:1] Cc1occc1CN(C)Cc1ccc(c(N)c1)[*:1]
Cc1occc1CN(C)Cc1ccc([N+](=O)[O-])c(N)c1 Cc1occc1[*:1] CN(Cc1ccc(c(N)c1)[N+](=O)[O-])C[*:1]
Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC(C)(C)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC(C)(C)[*:1]
C[S@@](=O)c1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)cc1 C[S@@](=O)[*:1] c1cc(ccc1CNc1ccc(c[nH+]1)N1CCCCC1)[*:1]
C[S@@](=O)c1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)cc1 C1CCN(CC1)[*:1] C[S@@](=O)c1ccc(cc1)CNc1ccc(c[nH+]1)[*:1]
CC(C)c1ccccc1NC(=O)NCCNC(=O)c1ccc(Cl)cc1 CC(C)[*:1] O=C(NCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1[*:1]
CC(C)c1ccccc1NC(=O)NCCNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)c1ccccc1NC(=O)NCCNC(=O)[*:1]
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCC[C@@H](CCC(N)=O)C1 NC(=O)CC[*:1] Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCC[C@@H](C1)[*:1]
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCC[C@@H](CCC(N)=O)C1 Clc1ccc(c(Cl)c1)[*:1] Cc1nn(c(C)c1CC(=O)N1CCC[C@@H](CCC(N)=O)C1)[*:1]
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCC[C@@H](CCC(N)=O)C1 NC(=O)[*:1] Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCC[C@@H](CC[*:1])C1
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCC[C@@H](CCC(N)=O)C1 NC(=O)C[*:1] Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CCC[C@H](C1)C[*:1]
COC(=O)[C@H](NC(=O)/C=C/c1cnn(C)c1C)c1ccccc1Cl Cc1c(cnn1C)[*:1] COC(=O)[C@H](NC(=O)C=C[*:1])c1ccccc1Cl
COC(=O)[C@H](NC(=O)/C=C/c1cnn(C)c1C)c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)[C@H](NC(=O)/C=C/c1cnn(C)c1C)[*:1]
COC(=O)[C@H](NC(=O)/C=C/c1cnn(C)c1C)c1ccccc1Cl COC(=O)[*:1] Cc1c(/C=C/C(=O)N[C@H](c2ccccc2Cl)[*:1])cnn1C
O=C(C[C@H]1COCCN1Cc1ccc(-c2ccccn2)cc1)N1CC=CC1 c1ccc(nc1)[*:1] O=C(C[C@H]1COCCN1Cc1ccc(cc1)[*:1])N1CC=CC1
CC(C)[NH2+]CC/C=C/Cc1ccc[nH+]c1N CC(C)[*:1] Nc1[nH+]cccc1C/C=C/CC[NH2+][*:1]
CC(C)[NH2+]CC/C=C/Cc1ccc[nH+]c1N CC(C)[NH2+]C[*:1] Nc1[nH+]cccc1C/C=C/C[*:1]
CC(C)[NH2+]CC/C=C/Cc1ccc[nH+]c1N CC(C)[NH2+][*:1] Nc1[nH+]cccc1C/C=C/CC[*:1]
Cc1cc(=O)c2ccccc2n1CC(=O)N(C)CCCn1cccn1 c1cnn(c1)[*:1] Cc1cc(=O)c2ccccc2n1CC(=O)N(C)CCC[*:1]
Cc1cc(=O)c2ccccc2n1CC(=O)N(C)CCCn1cccn1 c1cnn(c1)CC[*:1] Cc1cc(=O)c2ccccc2n1CC(=O)N(C)C[*:1]
Cc1cc(=O)c2ccccc2n1CC(=O)N(C)CCCn1cccn1 c1cnn(c1)CCC[*:1] Cc1cc(=O)c2ccccc2n1CC(=O)N(C)[*:1]
Cc1cc(=O)c2ccccc2n1CC(=O)N(C)CCCn1cccn1 c1cnn(c1)C[*:1] Cc1cc(=O)c2ccccc2n1CC(=O)N(C)CC[*:1]
CC[C@@H]1COCCN1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] CC[C@@H]1COCCN1C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CC[C@@H]1COCCN1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] CC[C@@H]1COCCN1C(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1
O=C(NCc1ccco1)c1cc2ccccc2o/c1=[NH+]\c1ccc(Cl)cc1F O=C(NCc1ccco1)[*:1] Fc1cc(Cl)ccc1/[NH+]=c1\oc2ccccc2cc1[*:1]
O=C(NCc1ccco1)c1cc2ccccc2o/c1=[NH+]\c1ccc(Cl)cc1F c1coc(c1)C[*:1] O=C(N[*:1])c1cc2ccccc2o/c1=[NH+]\c1ccc(Cl)cc1F
O=C(NCc1ccco1)c1cc2ccccc2o/c1=[NH+]\c1ccc(Cl)cc1F c1coc(c1)[*:1] O=C(NC[*:1])c1cc2ccccc2o/c1=[NH+]\c1ccc(Cl)cc1F
CC(C)c1ccc(C[C@@H](O)c2cc(Cl)cs2)cc1 Clc1csc(c1)[*:1] CC(C)c1ccc(cc1)C[C@@H](O)[*:1]
CC(C)c1ccc(C[C@@H](O)c2cc(Cl)cs2)cc1 CC(C)[*:1] O[C@H](Cc1ccc(cc1)[*:1])c1cc(Cl)cs1
COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)c(C)c1 O=C([O-])[*:1] COc1ccc(NC(=O)[C@@H]2[C@@H]([C@H]3CC[C@@H]2C3)[*:1])c(C)c1
O=C(NCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)C(=O)c1ccccc1
O=C(NCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)o1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCN(CC1)C(=O)[*:1])c1ccc(Br)o1
Cc1ccc(C(=O)[C@H](C)Oc2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](Oc1cccc(c1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)C(=O)[*:1]
Cc1ccc(C(=O)[C@H](C)Oc2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)c2)cc1 Cc1ccc(cc1)C(=O)[*:1] C[C@H](Oc1cccc(c1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)[*:1]
CCCOc1ccnc2c1c(=O)n(CCOCC)c(=O)n2C CCC[*:1] CCOCCn1c(=O)c2c(ccnc2n(C)c1=O)O[*:1]
CCCOc1ccnc2c1c(=O)n(CCOCC)c(=O)n2C CCOC[*:1] CCCOc1ccnc2c1c(=O)n(C[*:1])c(=O)n2C
CCCOc1ccnc2c1c(=O)n(CCOCC)c(=O)n2C CCOCC[*:1] CCCOc1ccnc2c1c(=O)n(c(=O)n2C)[*:1]
CCCOc1ccnc2c1c(=O)n(CCOCC)c(=O)n2C CCCO[*:1] CCOCCn1c(=O)c2c(ccnc2n(C)c1=O)[*:1]
CCCOc1ccnc2c1c(=O)n(CCOCC)c(=O)n2C CCO[*:1] CCCOc1ccnc2c1c(=O)n(CC[*:1])c(=O)n2C
COc1ccc2cc(C(=O)NCc3cccc(OCC(F)F)n3)c(C)nc2c1 FC(F)CO[*:1] COc1ccc2cc(C(=O)NCc3cccc(n3)[*:1])c(C)nc2c1
COc1ccc2cc(C(=O)NCc3cccc(OCC(F)F)n3)c(C)nc2c1 FC(F)[*:1] COc1ccc2cc(C(=O)NCc3cccc(n3)OC[*:1])c(C)nc2c1
COc1ccc2cc(C(=O)NCc3cccc(OCC(F)F)n3)c(C)nc2c1 FC(F)C[*:1] COc1ccc2cc(C(=O)NCc3cccc(n3)O[*:1])c(C)nc2c1
COc1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)co2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)Cc1coc(n1)[*:1]
COc1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)co2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(co1)CS(=O)(=O)[*:1]
Fc1ccc(CC[NH+](Cc2cnn3c2NCCC3)C2CCCC2)cc1 Fc1ccc(cc1)[*:1] c1nn2CCCNc2c1C[NH+](CC[*:1])C1CCCC1
Fc1ccc(CC[NH+](Cc2cnn3c2NCCC3)C2CCCC2)cc1 Fc1ccc(cc1)C[*:1] c1nn2CCCNc2c1C[NH+](C[*:1])C1CCCC1
Fc1ccc(CC[NH+](Cc2cnn3c2NCCC3)C2CCCC2)cc1 C1CCC(C1)[*:1] Fc1ccc(cc1)CC[NH+](Cc1cnn2CCCNc12)[*:1]
O=C(C[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)[O-])Nc1cccc(Cl)c1 C1CO[C@H](C1)[*:1] O=C(C[C@@H]([NH2+]C[*:1])C(=O)[O-])Nc1cccc(Cl)c1
O=C(C[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)[O-])Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(C[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)[O-])N[*:1]
CCN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)SC1=Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1cccc(Cl)c1
CCN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)SC1=Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCN1C(=O)C[C@H](SC1=Nc1cccc(Cl)c1)C(=O)N[*:1]
Cc1cc(C)c(C[S@](=O)Cc2coc(-c3cccc(F)c3)n2)c(C)c1 Fc1cccc(c1)[*:1] Cc1cc(C)c(C[S@](=O)Cc2coc(n2)[*:1])c(C)c1
Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31
N#CCCN(CCC#N)C(=O)CN1CCSC[C@H]1c1ccccc1 N#CCC[*:1] N#CCCN(C(=O)CN1CCSC[C@H]1c1ccccc1)[*:1]
N#CCCN(CCC#N)C(=O)CN1CCSC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] N#CCCN(CCC#N)C(=O)CN1CCSC[C@@H]1[*:1]
N#CCCN(CCC#N)C(=O)CN1CCSC[C@H]1c1ccccc1 N#CC[*:1] N#CCCN(C[*:1])C(=O)CN1CCSC[C@H]1c1ccccc1
CN(C)c1ccc(C(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1 c1csc(c1)[*:1] CN(C)c1ccc(cc1)C(=O)NCC[NH+]1CCC(CC1)[*:1]
CN(C)c1ccc(C(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1 CN(C)[*:1] O=C(NCC[NH+]1CCC(CC1)c1cccs1)c1ccc(cc1)[*:1]
CC(=O)Nc1nc(C(=O)NCC2CCCCC2)cs1 CC(=O)N[*:1] O=C(NCC1CCCCC1)c1csc(n1)[*:1]
CC(=O)Nc1nc(C(=O)NCC2CCCCC2)cs1 C1CCC(CC1)[*:1] CC(=O)Nc1nc(cs1)C(=O)NC[*:1]
O=C(NCCc1ccc(F)cc1)C1CCN(c2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(NCCc1ccc(F)cc1)C1CCN(CC1)[*:1]
O=C(NCCc1ccc(F)cc1)C1CCN(c2nc3ccccc3s2)CC1 Fc1ccc(cc1)C[*:1] O=C(NC[*:1])C1CCN(CC1)c1nc2ccccc2s1
O=C(NCCc1ccc(F)cc1)C1CCN(c2nc3ccccc3s2)CC1 Fc1ccc(cc1)CC[*:1] O=C(N[*:1])C1CCN(CC1)c1nc2ccccc2s1
O=C(NCCc1ccc(F)cc1)C1CCN(c2nc3ccccc3s2)CC1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])C1CCN(CC1)c1nc2ccccc2s1
CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc21 Cc1ccc(cc1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NS(=O)(=O)C[*:1]
CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc21 CCC[*:1] Cc1ccc(cc1)CS(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc21 Cc1ccc(cc1)C[*:1] CCCN1C(=O)CCc2cc(ccc21)NS(=O)(=O)[*:1]
CCOCc1ccc(NC(=O)c2cccnc2NC(C)C)cc1 CC(C)N[*:1] CCOCc1ccc(cc1)NC(=O)c1cccnc1[*:1]
CCOCc1ccc(NC(=O)c2cccnc2NC(C)C)cc1 CCO[*:1] CC(C)Nc1ncccc1C(=O)Nc1ccc(cc1)C[*:1]
CCOCc1ccc(NC(=O)c2cccnc2NC(C)C)cc1 CCOC[*:1] CC(C)Nc1ncccc1C(=O)Nc1ccc(cc1)[*:1]
CCOCc1ccc(NC(=O)c2cccnc2NC(C)C)cc1 CC(C)[*:1] CCOCc1ccc(cc1)NC(=O)c1cccnc1N[*:1]
CCOCCN(C)C(=O)[C@H]1CCCn2ccnc21 CCOC[*:1] CN(C[*:1])C(=O)[C@H]1CCCn2ccnc21
CCOCCN(C)C(=O)[C@H]1CCCn2ccnc21 CCO[*:1] CN(CC[*:1])C(=O)[C@H]1CCCn2ccnc21
CCOCCN(C)C(=O)[C@H]1CCCn2ccnc21 CCOCC[*:1] CN(C(=O)[C@H]1CCCn2ccnc21)[*:1]
O=C([O-])CN(CC(=O)[O-])C(=O)c1c(F)cc(Br)cc1F O=C([O-])C[*:1] O=C([O-])CN(C(=O)c1c(F)cc(Br)cc1F)[*:1]
O=C([O-])CN(CC(=O)[O-])C(=O)c1c(F)cc(Br)cc1F O=C([O-])[*:1] O=C([O-])CN(C[*:1])C(=O)c1c(F)cc(Br)cc1F
CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1 CCO[*:1] Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(cc1)[*:1]
CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1 O=C(N1CCCC1)[*:1] CCOc1ccc(cc1)N(C[*:1])S(=O)(=O)c1c(C)noc1C
CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CCOc1ccc(cc1)N(CC(=O)N1CCCC1)S(=O)(=O)[*:1]
CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1 O=C(C[*:1])N1CCCC1 CCOc1ccc(cc1)N(S(=O)(=O)c1c(C)noc1C)[*:1]
CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1 CCOc1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCCC1)[*:1]
O=C(NCCCn1cc[nH+]c1)c1csc(C#CCO)c1 OCC#C[*:1] O=C(NCCCn1cc[nH+]c1)c1csc(c1)[*:1]
Cc1cccc(NC(=O)NCC2(c3c(F)cccc3Cl)CCOCC2)c1 Fc1cccc(Cl)c1[*:1] Cc1cccc(c1)NC(=O)NCC1(CCOCC1)[*:1]
Cc1cccc(NC(=O)NCC2(c3c(F)cccc3Cl)CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(NCC1(CCOCC1)c1c(F)cccc1Cl)N[*:1]
O=C(NCc1ccc([C@H](O)c2cccs2)s1)C1(c2cccs2)CC1 O[C@H](c1cccs1)[*:1] O=C(NCc1ccc(s1)[*:1])C1(CC1)c1cccs1
O=C(NCc1ccc([C@H](O)c2cccs2)s1)C1(c2cccs2)CC1 c1csc(c1)[*:1] O=C(NCc1ccc(s1)[C@H](O)c1cccs1)C1(CC1)[*:1]
O=C(NCc1ccc([C@H](O)c2cccs2)s1)C1(c2cccs2)CC1 c1csc(c1)[*:1] O=C(NCc1ccc(s1)[C@H](O)[*:1])C1(CC1)c1cccs1
O=C(NCc1ccc([C@H](O)c2cccs2)s1)C1(c2cccs2)CC1 c1csc(c1)C1(CC1)[*:1] O=C(NCc1ccc(s1)[C@H](O)c1cccs1)[*:1]
CC(C)C[NH+](CC(C)C)Cn1c(=O)oc2cc(Cl)ccc21 CC(C)[*:1] CC(C)C[NH+](Cn1c(=O)oc2cc(Cl)ccc21)C[*:1]
CC(C)C[NH+](CC(C)C)Cn1c(=O)oc2cc(Cl)ccc21 CC(C)C[*:1] CC(C)C[NH+](Cn1c(=O)oc2cc(Cl)ccc21)[*:1]
CC(C)[C@H](C)N1C(=O)[C@@H]2CCCCN2C(=O)[C@@H]1C(C)C CC(C)[*:1] CC(C)[C@H](C)N1C(=O)[C@@H]2CCCCN2C(=O)[C@H]1[*:1]
CC(C)[C@H](C)N1C(=O)[C@@H]2CCCCN2C(=O)[C@@H]1C(C)C CC(C)[*:1] CC(C)[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1[C@@H](C)[*:1]
CC(C)[C@H](C)N1C(=O)[C@@H]2CCCCN2C(=O)[C@@H]1C(C)C CC(C)[C@H](C)[*:1] CC(C)[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1[*:1]
Cc1nc(N2CCN(Cc3cc(C(N)=O)cs3)CC2)sc1C NC(=O)[*:1] Cc1nc(sc1C)N1CCN(CC1)Cc1cc(cs1)[*:1]
Cc1nc(N2CCN(Cc3cc(C(N)=O)cs3)CC2)sc1C Cc1nc(sc1C)[*:1] NC(=O)c1csc(c1)CN1CCN(CC1)[*:1]
CC[NH+]1CCN(c2ncnc(NC3CCCC3)c2N)CC1 C1CCC(C1)N[*:1] CC[NH+]1CCN(CC1)c1ncnc(c1N)[*:1]
CC[NH+]1CCN(c2ncnc(NC3CCCC3)c2N)CC1 C1CCC(C1)[*:1] CC[NH+]1CCN(CC1)c1ncnc(N[*:1])c1N
C[C@@H](Sc1ccccn1)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)N[C@H](C)c1ncc(o1)-c1ccccc1
C[C@@H](Sc1ccccn1)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](Sc1ccccn1)C(=O)N[C@H](C)c1ncc(o1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 c1ccc(nc1)S[*:1] C[C@@H](NC(=O)[C@H](C)[*:1])c1ncc(o1)-c1ccccc1
COCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccccc1F COCC[*:1] O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2F)N1[*:1]
COCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccccc1F Fc1ccccc1[*:1] COCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1[*:1]
COCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccccc1F COC[*:1] O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2F)N1C[*:1]
CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\N[*:1])[C@@H](C)c1ccccc1
CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\Nc1cccc(Br)c1 C[C@@H](c1ccccc1)[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\Nc1cccc(Br)c1)[*:1]
CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\Nc1cccc(Br)c1 c1ccc(cc1)[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\Nc1cccc(Br)c1)[C@@H](C)[*:1]
CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\Nc1cccc(Br)c1 Brc1cccc(c1)N[*:1] CC1=C(C#N)C(=O)N(C(=O)C1=C[*:1])[C@@H](C)c1ccccc1
C/C=C/c1ccc(OCC(=O)Nc2ccc(NC(C)=O)cc2)c(OC)c1 CC=C[*:1] COc1cc(ccc1OCC(=O)Nc1ccc(cc1)NC(C)=O)[*:1]
C/C=C/c1ccc(OCC(=O)Nc2ccc(NC(C)=O)cc2)c(OC)c1 CC(=O)N[*:1] C/C=C/c1ccc(OCC(=O)Nc2ccc(cc2)[*:1])c(c1)OC
C=CCNC(=O)[C@H](C)Oc1c(F)cc(C[C@@H](C)[NH3+])cc1F C=CC[*:1] C[C@H](Oc1c(F)cc(cc1F)C[C@@H](C)[NH3+])C(=O)N[*:1]
C=CCNC(=O)[C@H](C)Oc1c(F)cc(C[C@@H](C)[NH3+])cc1F C=CCNC(=O)[*:1] C[C@H](Oc1c(F)cc(cc1F)C[C@@H](C)[NH3+])[*:1]
C/[NH+]=C(/NCCc1ccc(I)s1)N[C@@H]1C[C@H]1C C[C@@H]1C[C@H]1[*:1] C/[NH+]=C(/NCCc1ccc(I)s1)N[*:1]
COCCn1cc(NC(=O)N2CCC(Nc3cccc(OC)c3)CC2)cn1 COc1cccc(c1)[*:1] COCCn1cc(cn1)NC(=O)N1CCC(CC1)N[*:1]
COCCn1cc(NC(=O)N2CCC(Nc3cccc(OC)c3)CC2)cn1 COc1cccc(c1)N[*:1] COCCn1cc(cn1)NC(=O)N1CCC(CC1)[*:1]
COCCn1cc(NC(=O)N2CCC(Nc3cccc(OC)c3)CC2)cn1 COC[*:1] COc1cccc(c1)NC1CCN(CC1)C(=O)Nc1cnn(c1)C[*:1]
COCCn1cc(NC(=O)N2CCC(Nc3cccc(OC)c3)CC2)cn1 COCCn1cc(cn1)[*:1] COc1cccc(c1)NC1CCN(CC1)C(=O)N[*:1]
COCCn1cc(NC(=O)N2CCC(Nc3cccc(OC)c3)CC2)cn1 COCC[*:1] COc1cccc(c1)NC1CCN(CC1)C(=O)Nc1cnn(c1)[*:1]
Cc1nc2ccc(C(=O)NCc3cc4n(n3)CC[NH+](CC(C)C)C4)cc2o1 CC(C)C[*:1] Cc1nc2ccc(cc2o1)C(=O)NCc1cc2C[NH+](CCn2n1)[*:1]
Cc1nc2ccc(C(=O)NCc3cc4n(n3)CC[NH+](CC(C)C)C4)cc2o1 CC(C)[*:1] Cc1nc2ccc(cc2o1)C(=O)NCc1cc2C[NH+](CCn2n1)C[*:1]
O=C1Nc2cc(C(=O)NCc3ccccn3)ccc2O/C1=C/c1cccc(Cl)c1 c1ccc(C[*:1])nc1 O=C1Nc2cc(ccc2O/C1=C/c1cccc(Cl)c1)C(=O)N[*:1]
O=C1Nc2cc(C(=O)NCc3ccccn3)ccc2O/C1=C/c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1Nc2cc(ccc2OC1=C[*:1])C(=O)NCc1ccccn1
O=C1Nc2cc(C(=O)NCc3ccccn3)ccc2O/C1=C/c1cccc(Cl)c1 c1ccc(nc1)[*:1] O=C1Nc2cc(ccc2O/C1=C/c1cccc(Cl)c1)C(=O)NC[*:1]
CC(=O)c1cccc(OCC(=O)NCc2cc(C#N)ccc2F)c1 CC(=O)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)COc1cccc(c1)[*:1]
CCOc1cc(Cl)c([C@H](Cl)[C@@H]2CCO[C@@H]2C)cc1OCC CCO[*:1] CCOc1cc(Cl)c(cc1[*:1])[C@H](Cl)[C@@H]1CCO[C@@H]1C
CCOc1cc(Cl)c([C@H](Cl)[C@@H]2CCO[C@@H]2C)cc1OCC CCO[*:1] CCOc1cc(c(Cl)cc1[*:1])[C@H](Cl)[C@@H]1CCO[C@@H]1C
Cc1c(Cl)cccc1-n1ccnc1S[C@@H](C)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] Cc1c(Cl)cccc1-n1ccnc1S[C@@H](C)[*:1]
Cc1c(Cl)cccc1-n1ccnc1S[C@@H](C)C(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1c(Cl)cccc1-n1ccnc1S[C@@H](C)C(=O)N[*:1]
Cn1cnn(-c2ccc(NC(=O)c3ccncc3)cc2)c1=O Cn1cnn(c1=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccncc1
Cn1cnn(-c2ccc(NC(=O)c3ccncc3)cc2)c1=O c1cc(ccn1)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)[*:1])c1=O
O=C1c2cccnc2CN1Cc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C1c2cccnc2CN1Cc1nnc(o1)[*:1]
CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCCn3c(C)nnc32)c1 CCC(=O)N[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)c1cccc(c1)[*:1]
COc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)CSc2ccncc2)CC3)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(N[*:1])[C@H]1CC12CCN(CC2)C(=O)CSc1ccncc1
COc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)CSc2ccncc2)CC3)cc1Cl c1cc(ccn1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@H]1CC12CCN(CC2)C(=O)CS[*:1]
COc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)CSc2ccncc2)CC3)cc1Cl c1cc(ccn1)S[*:1] COc1ccc(cc1Cl)NC(=O)[C@H]1CC12CCN(CC2)C(=O)C[*:1]
COc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)CSc2ccncc2)CC3)cc1Cl c1cc(ccn1)SC[*:1] COc1ccc(cc1Cl)NC(=O)[C@H]1CC12CCN(CC2)C(=O)[*:1]
O=C(Nc1ccc(OCc2c(F)cccc2Cl)cc1)C1CC1 C1CC1[*:1] O=C(Nc1ccc(cc1)OCc1c(F)cccc1Cl)[*:1]
O=C(Nc1ccc(OCc2c(F)cccc2Cl)cc1)C1CC1 O=C(N[*:1])C1CC1 Fc1cccc(Cl)c1COc1ccc(cc1)[*:1]
COc1ccccc1C(=O)NNc1ncnc(N2CCCCC2)c1N COc1ccccc1[*:1] Nc1c(ncnc1N1CCCCC1)NNC(=O)[*:1]
COc1ccccc1C(=O)NNc1ncnc(N2CCCCC2)c1N C1CCN(CC1)[*:1] COc1ccccc1C(=O)NNc1ncnc(c1N)[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2cccnn2)o1 c1cnnc(c1)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2cccnn2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)Nc1cccnn1)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 O=C(N[*:1])c1ccccc1 C[C@@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)C[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NNC(=O)Cc1c[nH]c2ccccc12
C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1)c1nccs1 C[C@H](c1nccs1)[*:1] O=C(O[*:1])[C@H]1C[C@@H]1c1ccc(cc1)OC(F)(F)F
C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1)c1nccs1 FC(F)(F)O[*:1] C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(cc1)[*:1])c1nccs1
C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(cc1)OC(F)(F)F)[*:1]
C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1)c1nccs1 FC(F)(F)[*:1] C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(cc1)O[*:1])c1nccs1
CCOc1cccc2c(=O)ccn(CC(N)=O)c12 NC(=O)C[*:1] CCOc1cccc2c(=O)ccn(c12)[*:1]
CCOc1cccc2c(=O)ccn(CC(N)=O)c12 CCO[*:1] NC(=O)Cn1ccc(=O)c2cccc(c21)[*:1]
CCOc1cccc2c(=O)ccn(CC(N)=O)c12 NC(=O)[*:1] CCOc1cccc2c(=O)ccn(C[*:1])c12
Cc1ccc(C)c(NC(=O)COC(=O)c2cc(C)nc3ccccc23)c1 Cc1ccc(C)c(c1)[*:1] Cc1cc(C(=O)OCC(=O)N[*:1])c2ccccc2n1
CCC(CC)NC(=O)c1ccccc1[N-]S(C)(=O)=O CCC(CC)[*:1] CS(=O)(=O)[N-]c1ccccc1C(=O)N[*:1]
CC(=O)N[C@H](CC(=O)N1CCN(Cc2ccccc2C)CC1)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)N1CCN(CC1)Cc1ccccc1C)[*:1]
CC(=O)N[C@H](CC(=O)N1CCN(Cc2ccccc2C)CC1)c1ccc(C)cc1 Cc1ccccc1C[*:1] CC(=O)N[C@H](CC(=O)N1CCN(CC1)[*:1])c1ccc(C)cc1
CC(=O)N[C@H](CC(=O)N1CCN(Cc2ccccc2C)CC1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N1CCN(CC1)Cc1ccccc1C)[*:1]
CC(=O)N[C@H](CC(=O)N1CCN(Cc2ccccc2C)CC1)c1ccc(C)cc1 Cc1ccccc1[*:1] CC(=O)N[C@H](CC(=O)N1CCN(CC1)C[*:1])c1ccc(C)cc1
C[C@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(nc1)NC(=O)[*:1]
Cc1ccc(=O)n(CC(=O)NCCCc2cccc(F)c2)n1 Fc1cccc(c1)[*:1] Cc1ccc(=O)n(CC(=O)NCCC[*:1])n1
CCOC(=O)[C@@H](C)N(C)c1nc2ccccc2nc1C CCOC(=O)[*:1] Cc1nc2ccccc2nc1N(C)[C@H](C)[*:1]
N#Cc1ccc(N(C(=O)c2cc3c(s2)CCOC3)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)c1cc2COCCc2s1)[*:1]
COc1cc(C)ccc1NCC(=O)NCCc1ccccc1C Cc1ccccc1[*:1] COc1cc(C)ccc1NCC(=O)NCC[*:1]
CNc1nc(N/N=C/c2cc([N+](=O)[O-])ccc2F)nc(Nc2ccccc2)n1 O=[N+]([O-])[*:1] CNc1nc(nc(n1)Nc1ccccc1)N/N=C/c1cc(ccc1F)[*:1]
CNc1nc(N/N=C/c2cc([N+](=O)[O-])ccc2F)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] CNc1nc(nc(n1)[*:1])N/N=C/c1cc(ccc1F)[N+](=O)[O-]
CNc1nc(N/N=C/c2cc([N+](=O)[O-])ccc2F)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] CNc1nc(nc(n1)N[*:1])N/N=C/c1cc(ccc1F)[N+](=O)[O-]
CC(C)c1nn(C)cc1C[NH2+][C@@H]1CCSc2c(F)cccc21 CC(C)[*:1] Cn1cc(C[NH2+][C@@H]2CCSc3c(F)cccc32)c(n1)[*:1]
CN(Cc1nc(-c2ccccc2)c[nH]1)S(=O)(=O)N1CCC(C(C)(C)C)CC1 c1ccc(cc1)[*:1] CN(Cc1nc(c[nH]1)[*:1])S(=O)(=O)N1CCC(CC1)C(C)(C)C
CN(Cc1nc(-c2ccccc2)c[nH]1)S(=O)(=O)N1CCC(C(C)(C)C)CC1 CC(C)(C)[*:1] CN(Cc1nc(c[nH]1)-c1ccccc1)S(=O)(=O)N1CCC(CC1)[*:1]
CC[C@H](C#N)OC(=O)c1ccc(C2SCCS2)cc1 C1CSC(S1)[*:1] CC[C@H](C#N)OC(=O)c1ccc(cc1)[*:1]
O=S(=O)([O-])CCc1cccc[n+]1CC[n+]1ccccc1 O=S(=O)([O-])C[*:1] c1cc[n+](cc1)CC[n+]1ccccc1C[*:1]
O=S(=O)([O-])CCc1cccc[n+]1CC[n+]1ccccc1 O=S(=O)([O-])[*:1] c1cc[n+](cc1)CC[n+]1ccccc1CC[*:1]
O=S(=O)([O-])CCc1cccc[n+]1CC[n+]1ccccc1 c1cc[n+](cc1)[*:1] O=S(=O)([O-])CCc1cccc[n+]1CC[*:1]
O=S(=O)([O-])CCc1cccc[n+]1CC[n+]1ccccc1 O=S(=O)([O-])CC[*:1] c1cc[n+](cc1)CC[n+]1ccccc1[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)C(=O)N[C@H](C)CC CC[C@@H](C)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)C(=O)N[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)C(=O)N[C@H](C)CC CC[C@@H](C)NC(=O)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)[*:1]
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 Clc1ccc(Cl)c(c1)[*:1] CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 CSCC[*:1] O=C1[C@H]2[C@@H](N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl)[*:1]
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 CSC[*:1] O=C1[C@H]2[C@H](C[*:1])N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl
CCOc1cc(F)ccc1NCC(=O)N[C@H](C)c1ccccc1 CCO[*:1] C[C@@H](NC(=O)CNc1ccc(F)cc1[*:1])c1ccccc1
CCOc1cc(F)ccc1NCC(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCOc1cc(F)ccc1NCC(=O)N[C@H](C)[*:1]
OCC[C@H](Nc1ncccc1Cl)c1cccs1 c1csc(c1)[*:1] OCC[C@H](Nc1ncccc1Cl)[*:1]
OCC[C@H](Nc1ncccc1Cl)c1cccs1 OCC[*:1] Clc1cccnc1N[C@H](c1cccs1)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)c2ccnc(Cl)c2)c1 CN(C)C(=O)[*:1] O=C(Nc1cc(ccc1F)[*:1])c1ccnc(Cl)c1
CN(C)C(=O)c1ccc(F)c(NC(=O)c2ccnc(Cl)c2)c1 Clc1cc(ccn1)[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)[*:1]
C[C@@H](CON)NC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H](CON)NC(=O)O[*:1]
C[C@@H](CON)NC(=O)OC(C)(C)C NOC[*:1] C[C@@H](NC(=O)OC(C)(C)C)[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N[C@H]1c2ccccc2C[C@H]1O
C[NH+](C)CCCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O Clc1ccc(cc1)[*:1] C[NH+](C)CCCn1ccc2c(nnc3c(cnn32)[*:1])c1=O
Cc1ccc(CNC(=O)Cn2c(=O)cnc3ccccc32)cc1C Cc1ccc(cc1C)[*:1] O=C(Cn1c(=O)cnc2ccccc21)NC[*:1]
CCC[NH2+][C@H](C)c1ccnc(Oc2ccc(F)cc2F)c1 CCC[*:1] C[C@@H]([NH2+][*:1])c1ccnc(c1)Oc1ccc(F)cc1F
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(Cl)c1Cl c1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@H]1c1cccc(Cl)c1Cl)[*:1]
Nc1cc[n+](C[C@@H](O)CO)cc1 OC[C@H](O)[*:1] Nc1cc[n+](cc1)C[*:1]
C[C@@H](NC(=O)Nc1ccccc1CC(N)=O)c1cccc(C(F)(F)F)c1 NC(=O)C[*:1] C[C@@H](NC(=O)Nc1ccccc1[*:1])c1cccc(c1)C(F)(F)F
C[C@@H](NC(=O)Nc1ccccc1CC(N)=O)c1cccc(C(F)(F)F)c1 NC(=O)[*:1] C[C@@H](NC(=O)Nc1ccccc1C[*:1])c1cccc(c1)C(F)(F)F
C[C@@H](NC(=O)Nc1ccccc1CC(N)=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](NC(=O)Nc1ccccc1CC(N)=O)c1cccc(c1)[*:1]
Cc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1Cl Cc1ccc(cc1Cl)[*:1] CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)[*:1]
Cc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1Cl FC(F)(F)[*:1] Cc1ccc(cc1Cl)N(CC(=O)Nc1ccccc1[*:1])S(C)(=O)=O
O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(Br)cn1 Brc1ccc(nc1)[*:1] O=C(CSc1nc(cs1)-c1ccc(F)cc1)N[*:1]
O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(Br)cn1 Fc1ccc(cc1)[*:1] O=C(CSc1nc(cs1)[*:1])Nc1ccc(Br)cn1
Cc1cn(CC(=O)N2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)nn1 Cc1cn(C[*:1])nn1 O=C(N1CCC[C@@H](C1)C1=Nc2ccccc2S(=O)(=O)N1)[*:1]
Cc1cn(CC(=O)N2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)nn1 Cc1cn(nn1)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)C1=Nc2ccccc2S(=O)(=O)N1
Cn1cc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[*:1]
COC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 COC(=O)N[*:1] Clc1ccccc1COc1ccc(cc1)[*:1]
Cc1nc(C2CC[NH+](Cc3cnc(N4CCOCC4)nc3)CC2)no1 Cc1nc(no1)[*:1] c1nc(ncc1C[NH+]1CCC(CC1)[*:1])N1CCOCC1
Cc1nc(C2CC[NH+](Cc3cnc(N4CCOCC4)nc3)CC2)no1 C1CN(CCO1)[*:1] Cc1nc(no1)C1CC[NH+](CC1)Cc1cnc(nc1)[*:1]
C[C@H]1C[C@H]1/C([O-])=C(/C#N)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1/C([O-])=C(/C#N)C(=O)N[*:1]
NC(=O)NC(=O)CSc1ncnc2sc3c(c12)CCCC3 NC(=O)NC(=O)C[*:1] c1nc(S[*:1])c2c3CCCCc3sc2n1
NC(=O)NC(=O)CSc1ncnc2sc3c(c12)CCCC3 NC(=O)NC(=O)[*:1] c1nc(SC[*:1])c2c3CCCCc3sc2n1
O=C1C[C@@H](N2[C@@H](C(=O)[O-])CC[C@@H]3CCCC[C@H]32)C(=O)N1 O=C([O-])[*:1] O=C1C[C@H](C(=O)N1)N1[C@@H]2CCCC[C@H]2CC[C@H]1[*:1]
CCOc1ccccc1/C=C/C(=O)NC[C@](C)(O)c1ccc(F)cc1 CCO[*:1] C[C@](O)(CNC(=O)/C=C/c1ccccc1[*:1])c1ccc(F)cc1
CCOc1ccccc1/C=C/C(=O)NC[C@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOc1ccccc1/C=C/C(=O)NC[C@](C)(O)[*:1]
CC(C)c1nn(C)c(Cl)c1[C@@H](O)Cc1c[nH+]ccc1N CC(C)[*:1] Cn1nc(c(c1Cl)[C@@H](O)Cc1c[nH+]ccc1N)[*:1]
CCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@@H]1c1ccccc1 Cc1ccc(cc1)[*:1] CCC(=O)N1c2ncnn2[C@@H](C[C@@H]1c1ccccc1)[*:1]
CCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCC(=O)N1c2ncnn2[C@H](C[C@H]1[*:1])c1ccc(C)cc1
CC(C)(C)c1ccc(N2C(=O)C[C@@H](c3ccccc3)C2=O)cc1 CC(C)(C)[*:1] O=C1C[C@H](C(=O)N1c1ccc(cc1)[*:1])c1ccccc1
CC(C)(C)c1ccc(N2C(=O)C[C@@H](c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)N1C(=O)C[C@@H](C1=O)[*:1]
C[C@@H](c1ccncc1)[C@@H](O)C[C@H](C)C(C)(C)C CC(C)(C)[*:1] C[C@@H](c1ccncc1)[C@@H](O)C[C@H](C)[*:1]
O=C(CSC(c1ccccc1)c1ccccc1)N1CCC(c2ccccc2)=N1 c1ccc(cc1)[*:1] O=C(CSC(c1ccccc1)[*:1])N1CCC(=N1)c1ccccc1
O=C(CSC(c1ccccc1)c1ccccc1)N1CCC(c2ccccc2)=N1 c1ccc(cc1)[*:1] O=C(CSC(c1ccccc1)c1ccccc1)N1CCC(=N1)[*:1]
COC(=O)Cn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C COC(=O)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(CC1)c1cccc(Cl)c1)n2[*:1]
COC(=O)Cn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C Clc1cccc(c1)[*:1] COC(=O)Cn1c(CN2CCN(CC2)[*:1])nc2c1c(=O)[nH]c(=O)n2C
COC(=O)Cn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C COC(=O)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(CC1)c1cccc(Cl)c1)n2C[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)c2cccc3c2OCO3)c1 Cc1nnnn1[*:1] O=C(Nc1cc(ccc1F)[*:1])c1cccc2OCOc21
CN[C@@H](C)c1cc[nH+]c(N2CCC(C)CC2)c1 CN[C@@H](C)[*:1] CC1CCN(CC1)c1cc(cc[nH+]1)[*:1]
CN1C[C@H](C(=O)N2CCC[C@H](n3cncn3)C2)CC1=O c1ncn(n1)[*:1] CN1C[C@@H](CC1=O)C(=O)N1CCC[C@H](C1)[*:1]
O=C1C[C@@H](C(=O)NC[C@H]2CCCN(c3ncccn3)C2)c2ccc(F)cc2N1 c1cnc(nc1)[*:1] O=C1C[C@@H](C(=O)NC[C@H]2CCCN(C2)[*:1])c2ccc(F)cc2N1
CC[NH2+][C@H](CCOC)c1cc(Br)ccc1F COCC[*:1] CC[NH2+][C@H](c1cc(Br)ccc1F)[*:1]
CC[NH2+][C@H](CCOC)c1cc(Br)ccc1F COC[*:1] CC[NH2+][C@H](C[*:1])c1cc(Br)ccc1F
COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CC(OC)OC)C3)cc1 COc1ccc(cc1)[*:1] COC(CN1CC2NC(=O)N[C@@H](C=2C1=O)[*:1])OC
COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CC(OC)OC)C3)cc1 COC(OC)[*:1] COc1ccc(cc1)[C@H]1NC(=O)NC2CN(C[*:1])C(=O)C=21
COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(CC(OC)OC)C3)cc1 COC(C[*:1])OC COc1ccc(cc1)[C@H]1NC(=O)NC2CN(C(=O)C=21)[*:1]
NNC(=O)c1cccc2c1-c1ccccc1C2=O NNC(=O)[*:1] O=C1c2ccccc2-c2c1cccc2[*:1]
O=C(c1cc2ccccc2cc1O)N1CCCC[C@H]1c1ncc[nH]1 c1c[nH]c(n1)[*:1] O=C(c1cc2ccccc2cc1O)N1CCCC[C@@H]1[*:1]
CN1CCO[C@H](CNCc2ccc(OCC(N)=O)cc2)C1 NC(=O)[*:1] CN1CCO[C@H](CNCc2ccc(cc2)OC[*:1])C1
CN1CCO[C@H](CNCc2ccc(OCC(N)=O)cc2)C1 NC(=O)CO[*:1] CN1CCO[C@H](CNCc2ccc(cc2)[*:1])C1
CN1CCO[C@H](CNCc2ccc(OCC(N)=O)cc2)C1 NC(=O)C[*:1] CN1CCO[C@H](CNCc2ccc(cc2)O[*:1])C1
CN(Cc1ncnn1C)c1ncc(C(=O)N2CCOCC2)cc1Cl Cn1ncnc1[*:1] CN(C[*:1])c1ncc(cc1Cl)C(=O)N1CCOCC1
CN(Cc1ncnn1C)c1ncc(C(=O)N2CCOCC2)cc1Cl Cn1ncnc1C[*:1] CN(c1ncc(cc1Cl)C(=O)N1CCOCC1)[*:1]
CN(Cc1ncnn1C)c1ncc(C(=O)N2CCOCC2)cc1Cl O=C(N1CCOCC1)[*:1] CN(Cc1ncnn1C)c1ncc(cc1Cl)[*:1]
COc1cc(C)c(-c2nc(CN3CCO[C@H](CCO)C3)c(C)o2)cc1C OCC[*:1] COc1cc(C)c(cc1C)-c1nc(CN2CCO[C@H](C2)[*:1])c(C)o1
Cc1cc([C@@H](Br)C(F)(F)F)ccc1F FC(F)(F)[*:1] Cc1cc(ccc1F)[C@@H](Br)[*:1]
Cc1ccc2c(CC(=O)Nc3cccc(-c4nnnn4C4CC4)c3)coc2c1C C1CC1[*:1] Cc1ccc2c(coc2c1C)CC(=O)Nc1cccc(c1)-c1nnnn1[*:1]
Cc1ccc2c(CC(=O)Nc3cccc(-c4nnnn4C4CC4)c3)coc2c1C C1CC1n1nnnc1[*:1] Cc1ccc2c(coc2c1C)CC(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(C)[C@@H](C)CC#N)C2)c1 N#CC[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@H](C1)C(=O)N(C)[C@@H](C)[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(C)[C@@H](C)CC#N)C2)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCOCC(=O)N(CC)c1ccc(S(=O)(=O)C(F)(F)F)cc1 CCOC[*:1] CCN(C(=O)[*:1])c1ccc(cc1)S(=O)(=O)C(F)(F)F
CCOCC(=O)N(CC)c1ccc(S(=O)(=O)C(F)(F)F)cc1 O=S(=O)(C(F)(F)F)[*:1] CCOCC(=O)N(CC)c1ccc(cc1)[*:1]
CCOCC(=O)N(CC)c1ccc(S(=O)(=O)C(F)(F)F)cc1 FC(F)(F)[*:1] CCOCC(=O)N(CC)c1ccc(cc1)S(=O)(=O)[*:1]
CCOCC(=O)N(CC)c1ccc(S(=O)(=O)C(F)(F)F)cc1 CCO[*:1] CCN(C(=O)C[*:1])c1ccc(cc1)S(=O)(=O)C(F)(F)F
C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)N[C@H]1CCCc2ccccc21 c1nnnn1[*:1] C[C@@H](OC(=O)c1cccc(c1)[*:1])C(=O)N[C@H]1CCCc2ccccc21
COc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(OC(C)C)cc3)NC2=O)cc1 COc1ccc(cc1)[*:1] CC(C)Oc1ccc(/C=N/N=C2\NC(=O)[C@@H](C[*:1])S2)cc1
COc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(OC(C)C)cc3)NC2=O)cc1 COc1ccc(cc1)C[*:1] CC(C)Oc1ccc(/C=N/N=C2\NC(=O)[C@H](S2)[*:1])cc1
COc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(OC(C)C)cc3)NC2=O)cc1 CC(C)[*:1] COc1ccc(cc1)C[C@H]1S/C(=N/N=C/c2ccc(cc2)O[*:1])NC1=O
COc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(OC(C)C)cc3)NC2=O)cc1 CC(C)O[*:1] COc1ccc(cc1)C[C@H]1S/C(=N/N=C/c2ccc(cc2)[*:1])NC1=O
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2csc(-c3ccoc3)n2)C1 Cc1ccccc1[*:1] C[C@H]1C[C@H](CN1C(=O)c1csc(n1)-c1ccoc1)[*:1]
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2csc(-c3ccoc3)n2)C1 c1cc(co1)[*:1] Cc1ccccc1[C@@H]1C[C@H](C)N(C1)C(=O)c1csc(n1)[*:1]
Cc1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(Cc1ccc(s1)S(=O)(=O)N1CCCC1)N[*:1]
Cc1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)n(C)n1 O=S(=O)(N1CCCC1)[*:1] Cc1cc(NC(=O)Cc2ccc(s2)[*:1])n(C)n1
Cc1ccc(N2CCCN(Cc3cc(F)ccc3Cl)C2=O)c(NC(=O)C(C)C)c1 Fc1ccc(Cl)c(c1)C[*:1] Cc1ccc(c(c1)NC(=O)C(C)C)N1CCCN(C1=O)[*:1]
Cc1ccc(N2CCCN(Cc3cc(F)ccc3Cl)C2=O)c(NC(=O)C(C)C)c1 CC(C)C(=O)N[*:1] Cc1ccc(c(c1)[*:1])N1CCCN(Cc2cc(F)ccc2Cl)C1=O
Cc1ccc(N2CCCN(Cc3cc(F)ccc3Cl)C2=O)c(NC(=O)C(C)C)c1 Fc1ccc(Cl)c(c1)[*:1] Cc1ccc(c(c1)NC(=O)C(C)C)N1CCCN(C[*:1])C1=O
Cc1ccc(N2CCCN(Cc3cc(F)ccc3Cl)C2=O)c(NC(=O)C(C)C)c1 CC(C)[*:1] Cc1ccc(c(c1)NC(=O)[*:1])N1CCCN(Cc2cc(F)ccc2Cl)C1=O
Cc1nc(CC(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N1CCOC[C@](O)(C1)C[NH+]1CCCC1
Cc1nc(CC(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)cs1 Cc1nc(cs1)C[*:1] O=C(N1CCOC[C@](O)(C1)C[NH+]1CCCC1)[*:1]
C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)Nc1sccc1C#N N#Cc1ccsc1[*:1] C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)N[*:1]
COc1cccc(/N=C/C2=C([O-])C[C@@H](c3cccc(OC)c3)CC2=O)c1 COc1cccc(c1)[*:1] COc1cccc(c1)[C@H]1CC(=O)C(C=N[*:1])=C([O-])C1
COc1cccc(/N=C/C2=C([O-])C[C@@H](c3cccc(OC)c3)CC2=O)c1 COc1cccc(c1)[*:1] COc1cccc(c1)/N=C/C1C(=O)C[C@H](CC=1[O-])[*:1]
CC(C)Cn1cc(C(=O)Nc2nn(C)cc2C(N)=O)c2ccccc21 CC(C)[*:1] Cn1cc(C(N)=O)c(n1)NC(=O)c1cn(C[*:1])c2ccccc12
CC(C)Cn1cc(C(=O)Nc2nn(C)cc2C(N)=O)c2ccccc21 CC(C)C[*:1] Cn1cc(C(N)=O)c(n1)NC(=O)c1cn(c2ccccc12)[*:1]
CC(C)Cn1cc(C(=O)Nc2nn(C)cc2C(N)=O)c2ccccc21 NC(=O)[*:1] CC(C)Cn1cc(C(=O)Nc2nn(C)cc2[*:1])c2ccccc21
COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=[NH+]/c3cc(F)ccc3C)oc12 O=C(NC[C@H]1CCCO1)[*:1] COc1cccc2cc(/c(=[NH+]/c3cc(F)ccc3C)oc12)[*:1]
COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=[NH+]/c3cc(F)ccc3C)oc12 Cc1ccc(F)cc1[*:1] COc1cccc2cc(C(=O)NC[C@H]3CCCO3)c(=[NH+][*:1])oc12
COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=[NH+]/c3cc(F)ccc3C)oc12 C1CO[C@H](C1)C[*:1] COc1cccc2cc(C(=O)N[*:1])/c(=[NH+]/c3cc(F)ccc3C)oc12
COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=[NH+]/c3cc(F)ccc3C)oc12 C1CO[C@H](C1)[*:1] COc1cccc2cc(C(=O)NC[*:1])/c(=[NH+]/c3cc(F)ccc3C)oc12
Cc1cnn(Cc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccncc3)cc2)c1 Cc1cnn(c1)C[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccncc1
Cc1cnn(Cc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccncc3)cc2)c1 c1cc(ccn1)[*:1] Cc1cnn(c1)Cc1ccc(cc1)NC(=O)C(=O)N[C@@H](C)[*:1]
Cc1cnn(Cc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccncc3)cc2)c1 Cc1cnn(c1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)C[*:1])c1ccncc1
C[C@@H](N1CC(CO)C1)C(F)(F)F FC(F)(F)[*:1] C[C@@H](N1CC(CO)C1)[*:1]
Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1C[C@@H](C)O[C@H](C)C1 CN(C)[*:1] Cc1[nH]c2ccc(cc2c(=O)c1CN1C[C@@H](C)O[C@H](C)C1)[*:1]
C[NH+](C)[C@H](CNC(=O)/C(C#N)=C\c1ccco1)c1ccccc1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)C(C#N)=C[*:1])c1ccccc1
C[NH+](C)[C@H](CNC(=O)/C(C#N)=C\c1ccco1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)/C(C#N)=C\c1ccco1)[*:1]
Cc1ccc(CN(C)C(=O)C[NH+](CC(F)(F)F)C2CCCC2)o1 C1CCC(C1)[*:1] Cc1ccc(CN(C)C(=O)C[NH+](CC(F)(F)F)[*:1])o1
Cc1ccc(CN(C)C(=O)C[NH+](CC(F)(F)F)C2CCCC2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)C[NH+](CC(F)(F)F)C1CCCC1)[*:1]
Cc1ccc(CN(C)C(=O)C[NH+](CC(F)(F)F)C2CCCC2)o1 FC(F)(F)C[*:1] Cc1ccc(CN(C)C(=O)C[NH+](C2CCCC2)[*:1])o1
Cc1ccc(CN(C)C(=O)C[NH+](CC(F)(F)F)C2CCCC2)o1 FC(F)(F)[*:1] Cc1ccc(CN(C)C(=O)C[NH+](C[*:1])C2CCCC2)o1
Cc1ccc(CN(C)C(=O)C[NH+](CC(F)(F)F)C2CCCC2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)C[NH+](CC(F)(F)F)C1CCCC1
COc1cc(C)ccc1NC(=O)C(=O)N1CCN(C(C)C)CC1 CC(C)[*:1] COc1cc(C)ccc1NC(=O)C(=O)N1CCN(CC1)[*:1]
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCOC[C@@H]1C1CC1 O=[N+]([O-])[*:1] O=C(C1CCN(CC1)c1ccccc1[*:1])N1CCOC[C@@H]1C1CC1
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(C1CCN(CC1)c1ccccc1[N+](=O)[O-])N1CCOC[C@H]1[*:1]
CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCc1cccc(c1)[*:1]
CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 CC(C)(C)C(=O)N[*:1] O=C(NCCc1cccc(c1)[N+](=O)[O-])c1ccccc1[*:1]
CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC(C)(C)C(=O)Nc1ccccc1C(=O)NCC[*:1]
CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCc1cccc([N+](=O)[O-])c1 CC(C)(C)[*:1] O=C(NCCc1cccc(c1)[N+](=O)[O-])c1ccccc1NC(=O)[*:1]
CSc1nc([O-])nc(C)c1C(=O)N1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CSc1nc([O-])nc(C)c1C(=O)N1CCCC[C@H]1[*:1]
O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(NCCCN1CC[NH2+]CC1)[*:1]
Cc1c(NC(=O)/C=C/c2ccccc2Br)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)/C=C/c2ccccc2Br)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)/C=C/c2ccccc2Br)c(=O)n(-c2ccccc2)n1C Brc1ccccc1[*:1] Cc1c(NC(=O)C=C[*:1])c(=O)n(-c2ccccc2)n1C
CCCN1C(=O)N/C(=C/c2cn(C)c3ccccc23)C1=O CCC[*:1] Cn1cc(/C=C2/NC(=O)N(C2=O)[*:1])c2ccccc21
CN(Cc1cccn1C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Cn1cccc1[*:1] CN(C[*:1])C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1
CN(Cc1cccn1C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1cccn1C)C(=O)N[C@H](CC(F)(F)F)[*:1]
CN(Cc1cccn1C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] CN(Cc1cccn1C)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CN(Cc1cccn1C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] CN(Cc1cccn1C)C(=O)N[C@H](C[*:1])c1ccc(F)cc1
CN(Cc1cccn1C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Cn1cccc1C[*:1] CN(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc2ccccc2c(=O)[nH]1 FC(F)(F)[*:1] O=C(Nc1ccc(Br)c(c1)[*:1])c1cc2ccccc2c(=O)[nH]1
O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)N[*:1]
C[C@H](O)C[C@H](C)CNc1nc2sccn2c1[N+](=O)[O-] C[C@H](O)C[C@H](C)[*:1] O=[N+]([O-])c1c(nc2sccn12)NC[*:1]
C[C@H](O)C[C@H](C)CNc1nc2sccn2c1[N+](=O)[O-] C[C@H](O)C[*:1] C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])[*:1]
C[C@H](O)C[C@H](C)CNc1nc2sccn2c1[N+](=O)[O-] C[C@H](O)[*:1] C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])C[*:1]
C[C@H](O)C[C@H](C)CNc1nc2sccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](O)C[C@H](C)CNc1nc2sccn2c1[*:1]
Cc1cccc(COc2cccc(CC(=O)NC[C@]3(O)CCSC3)c2)c1 Cc1cccc(c1)[*:1] O=C(Cc1cccc(c1)OC[*:1])NC[C@]1(O)CCSC1
Cc1cccc(COc2cccc(CC(=O)NC[C@]3(O)CCSC3)c2)c1 Cc1cccc(c1)C[*:1] O=C(Cc1cccc(c1)O[*:1])NC[C@]1(O)CCSC1
CCc1ccc([C@H](CO)NC(=O)[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CCc1ccc(cc1)[C@H](CO)NC(=O)[*:1]
C/C=C/C=C/C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl CC=C[*:1] CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C=C[*:1]
C/C=C/C=C/C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl C/C=C/C=C[*:1] CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[*:1]
O=C(CCl)Nc1nnc(CCc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(CCl)Nc1nnc(CC[*:1])s1
O=C(CCl)Nc1nnc(CCc2ccccc2)s1 O=C(CCl)N[*:1] c1ccc(cc1)CCc1nnc(s1)[*:1]
CN1C(=O)C[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)C2(CCC2)[NH+](C)C)[C@H]1[*:1]
O=C(Nc1cc(F)c(F)c(F)c1)c1nc[nH]n1 c1nc(n[nH]1)[*:1] O=C(Nc1cc(F)c(F)c(F)c1)[*:1]
Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1C Cc1ccc(C)c(c1C)[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)CO[*:1])C1=O)c1ccco1
Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1C c1coc(c1)[*:1] Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@](C)(C2=O)[*:1])c1C
C[C@@H](NC(=O)CN[C@@H](C1CCCC1)C(F)(F)F)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](NC(=O)CN[C@@H](C1CCCC1)C(F)(F)F)[*:1]
C[C@@H](NC(=O)CN[C@@H](C1CCCC1)C(F)(F)F)C(=O)N(C)C C1CCC(C1)[*:1] C[C@@H](NC(=O)CN[C@@H](C(F)(F)F)[*:1])C(=O)N(C)C
C[C@@H](NC(=O)CN[C@@H](C1CCCC1)C(F)(F)F)C(=O)N(C)C FC(F)(F)[*:1] C[C@@H](NC(=O)CN[C@@H](C1CCCC1)[*:1])C(=O)N(C)C
C[C@@H](NC(=O)CN[C@@H](C1CCCC1)C(F)(F)F)C(=O)N(C)C C[C@@H](C(=O)N(C)C)[*:1] O=C(CN[C@@H](C1CCCC1)C(F)(F)F)N[*:1]
COc1ccccc1NC(=O)C(=O)c1cccn1C Cn1cccc1[*:1] COc1ccccc1NC(=O)C(=O)[*:1]
O=C(CCc1ccc2c(c1)OCO2)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 c1cc2OCOc2cc1[*:1] O=C(CC[*:1])NCc1nnc2c(Cl)cc(cn12)C(F)(F)F
O=C(CCc1ccc2c(c1)OCO2)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 FC(F)(F)[*:1] O=C(CCc1ccc2OCOc2c1)NCc1nnc2c(Cl)cc(cn12)[*:1]
COC(=O)N1CCN([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 Fc1ccc(cc1)C[*:1] COC(=O)N1CCN(CC1)[C@H](C)c1nc(no1)[*:1]
COC(=O)N1CCN([C@H](C)c2nc(Cc3ccc(F)cc3)no2)CC1 Fc1ccc(cc1)[*:1] COC(=O)N1CCN(CC1)[C@H](C)c1nc(C[*:1])no1
CCc1cc(=O)[nH]c(-c2ccc(NCCc3nc(C(C)(C)C)cs3)nc2)n1 CCc1cc(=O)[nH]c(n1)[*:1] CC(C)(C)c1csc(CCNc2ccc(cn2)[*:1])n1
CCc1cc(=O)[nH]c(-c2ccc(NCCc3nc(C(C)(C)C)cs3)nc2)n1 CC(C)(C)c1csc(n1)[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc(nc1)NCC[*:1]
CCc1cc(=O)[nH]c(-c2ccc(NCCc3nc(C(C)(C)C)cs3)nc2)n1 CC(C)(C)[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc(nc1)NCCc1nc(cs1)[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1noc(-c2ccoc2)n1 CC(C)(C)[*:1] C[C@@H]1CN(C(=O)O[*:1])[C@H](C)CN1Cc1noc(n1)-c1ccoc1
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1noc(-c2ccoc2)n1 c1cc(co1)[*:1] C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1noc(n1)[*:1]
Cc1ccccc1NC(=O)CC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CC(C)(C)[*:1]
COC(=O)C1(NC(=O)c2cc(-c3ccccc3F)on2)CCSCC1 COC(=O)[*:1] O=C(NC1(CCSCC1)[*:1])c1cc(on1)-c1ccccc1F
COC(=O)C1(NC(=O)c2cc(-c3ccccc3F)on2)CCSCC1 Fc1ccccc1[*:1] COC(=O)C1(CCSCC1)NC(=O)c1cc(on1)[*:1]
CCc1onc(C)c1NC(=O)NCc1ccc(-c2cccc(OC)c2)cc1 COc1cccc(c1)[*:1] CCc1onc(C)c1NC(=O)NCc1ccc(cc1)[*:1]
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(OC)n1 COc1cccc(n1)[*:1] CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[*:1]
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(OC)n1 c1ccc(cc1)[*:1] CC[C@@H]([C@H]1CCCN1C(=O)c1cccc(n1)OC)[*:1]
O=C(COc1cccc(Br)c1)N(c1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1cccc(Br)c1)N(S(=O)(=O)c1ccccc1)[*:1]
O=C(COc1cccc(Br)c1)N(c1ccccc1)S(=O)(=O)c1ccccc1 Brc1cccc(c1)OC[*:1] O=C(N(c1ccccc1)S(=O)(=O)c1ccccc1)[*:1]
O=C(COc1cccc(Br)c1)N(c1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1cccc(Br)c1)N(c1ccccc1)S(=O)(=O)[*:1]
O=C(COc1cccc(Br)c1)N(c1ccccc1)S(=O)(=O)c1ccccc1 Brc1cccc(c1)O[*:1] O=C(C[*:1])N(c1ccccc1)S(=O)(=O)c1ccccc1
O=C(COc1cccc(Br)c1)N(c1ccccc1)S(=O)(=O)c1ccccc1 Brc1cccc(c1)[*:1] O=C(CO[*:1])N(c1ccccc1)S(=O)(=O)c1ccccc1
CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Br CCO[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccc(c(Br)c1)[*:1]
CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Br O=S(=O)(N1CCCCC1)[*:1] CCOc1ccc(cc1Br)C(=O)Nc1ccc(cc1)[*:1]
CC1=Nc2ncnn2C(=O)[C@H]1CCC(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC1=Nc2ncnn2C(=O)[C@H]1CCC(=O)Nc1ccc(cc1)[*:1]
Cc1csc(NC(=O)CNC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3C2)n1 Cc1csc(n1)[*:1] O=C(CNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)N[*:1]
CCC[C@H]1C[C@H]1NC(=O)c1cc2ccc(OC)cc2[nH]1 CCC[*:1] COc1ccc2cc([nH]c2c1)C(=O)N[C@@H]1C[C@@H]1[*:1]
CN(C)S(=O)(=O)c1cc(C(=O)NCc2csc(=O)[nH]2)co1 CN(C)S(=O)(=O)[*:1] O=C(NCc1csc(=O)[nH]1)c1coc(c1)[*:1]
CN(C)S(=O)(=O)c1cc(C(=O)NCc2csc(=O)[nH]2)co1 O=c1[nH]c(cs1)C[*:1] CN(C)S(=O)(=O)c1cc(co1)C(=O)N[*:1]
CN(C)S(=O)(=O)c1cc(C(=O)NCc2csc(=O)[nH]2)co1 O=c1[nH]c(cs1)[*:1] CN(C)S(=O)(=O)c1cc(co1)C(=O)NC[*:1]
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccccc1-c1ncc[nH]1 Cc1noc(C)c1[*:1] C[C@@H](CC(=O)Nc1ccccc1-c1ncc[nH]1)[*:1]
Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccccc1-c1ncc[nH]1 c1c[nH]c(n1)[*:1] Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccccc1[*:1]
CC(C)CC1(C[NH2+]C[C@H]2CN(C)CCO2)CCCC1 CC(C)C[*:1] CN1CCO[C@@H](C[NH2+]CC2(CCCC2)[*:1])C1
CC(C)CC1(C[NH2+]C[C@H]2CN(C)CCO2)CCCC1 CC(C)[*:1] CN1CCO[C@@H](C[NH2+]CC2(CCCC2)C[*:1])C1
Cc1occc1C(=O)NCC(=O)N(C)C[C@H]1CCCO1 Cc1occc1[*:1] CN(C[C@H]1CCCO1)C(=O)CNC(=O)[*:1]
Cc1occc1C(=O)NCC(=O)N(C)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1occc1C(=O)NCC(=O)N(C)[*:1]
Cc1occc1C(=O)NCC(=O)N(C)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1occc1C(=O)NCC(=O)N(C)C[*:1]
CCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1CC)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1CC)[*:1]
CCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1CC)C1CCCCC1 Cc1cccc(c1)[*:1] CCN(C(=O)CSc1nnc(n1CC)[*:1])C1CCCCC1
CC[C@H](C)[C@](C)(O)CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] Fc1ccc(cc1)[*:1] CC[C@H](C)[C@](C)(O)CNC(=O)c1nn(cc1[O-])[*:1]
CCS[C@H]1CC[C@@H](NC(=O)c2cccc(SCC#N)c2)C1 N#CCS[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)c1cccc(c1)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)c2cccc(SCC#N)c2)C1 N#CC[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)c1cccc(c1)S[*:1]
CCS[C@H]1CC[C@@H](NC(=O)c2cccc(SCC#N)c2)C1 CCS[*:1] N#CCSc1cccc(c1)C(=O)N[C@@H]1CC[C@@H](C1)[*:1]
CC[C@@H](CCO)NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@@H](CCO)NC(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC[C@@H](CCO)NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 CC[C@@H](CCO)[*:1] O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N[*:1]
CC[C@@H](CCO)NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 OCC[*:1] CC[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[*:1]
CC[C@@H](CCO)NC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] CC[C@@H](CCO)NC(=O)N[C@H]([C@@H]1CCCO1)[*:1]
CCC(CC)c1nnc(NC(=O)C(=O)NC[C@@H]2CCC[C@H](O)C2)s1 CCC(CC)[*:1] O=C(NC[C@@H]1CCC[C@H](O)C1)C(=O)Nc1nnc(s1)[*:1]
C[NH+](CCOc1ccc(CC(N)=S)cc1)C1CCCCC1 NC(=S)[*:1] C[NH+](CCOc1ccc(cc1)C[*:1])C1CCCCC1
C[NH+](CCOc1ccc(CC(N)=S)cc1)C1CCCCC1 NC(=S)C[*:1] C[NH+](CCOc1ccc(cc1)[*:1])C1CCCCC1
C[NH+](CCOc1ccc(CC(N)=S)cc1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCOc1ccc(cc1)CC(N)=S)[*:1]
Clc1cc(NC[C@@H]2CCCN(c3ncccn3)C2)ccn1 c1cnc(nc1)[*:1] Clc1cc(ccn1)NC[C@@H]1CCCN(C1)[*:1]
Clc1cc(NC[C@@H]2CCCN(c3ncccn3)C2)ccn1 Clc1cc(ccn1)[*:1] c1cnc(nc1)N1CCC[C@@H](CN[*:1])C1
Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)CCCS(C)(=O)=O)s1 CS(=O)(=O)C[*:1] Cc1ccc(s1)[C@@H]1C[C@H]1C(=O)N(C)CC[*:1]
Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)CCCS(C)(=O)=O)s1 Cc1ccc(s1)[*:1] CN(CCCS(C)(=O)=O)C(=O)[C@@H]1C[C@H]1[*:1]
Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)CCCS(C)(=O)=O)s1 CS(=O)(=O)CC[*:1] Cc1ccc(s1)[C@@H]1C[C@H]1C(=O)N(C)C[*:1]
Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)CCCS(C)(=O)=O)s1 CS(=O)(=O)[*:1] Cc1ccc(s1)[C@@H]1C[C@H]1C(=O)N(C)CCC[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCOC2)cc1F C1C[C@H](CO1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)[*:1]
CS(=O)(=O)Nc1ccccc1C(=O)OCc1ccc(C#N)cc1 CS(=O)(=O)N[*:1] N#Cc1ccc(cc1)COC(=O)c1ccccc1[*:1]
COc1cccc(/C=C/C([O-])=N/S(=O)(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(/C=C/C([O-])=N/S(=O)(=O)[*:1])c1
COc1cccc(/C=C/C([O-])=N/S(=O)(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(/C=C/C([O-])=N/S(=O)(=O)C[*:1])c1
O=C(NCC1([O-])CCC1)C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)[*:1] O=C(NCC1([O-])CCC1)C(=O)Nc1ccc(F)cc1OC[*:1]
O=C(NCC1([O-])CCC1)C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)C[*:1] O=C(NCC1([O-])CCC1)C(=O)Nc1ccc(F)cc1O[*:1]
O=C(NCC1([O-])CCC1)C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)CO[*:1] O=C(NCC1([O-])CCC1)C(=O)Nc1ccc(F)cc1[*:1]
CCN1C(=O)CS/C1=N\[C@@H](C)Cc1ccccc1 c1ccc(cc1)[*:1] CCN1C(=O)CS/C1=N\[C@@H](C)C[*:1]
O=C(CN1CCN(c2ccccc2O)CC1)N1CCCCC1 Oc1ccccc1[*:1] O=C(CN1CCN(CC1)[*:1])N1CCCCC1
Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=[NH+][C@H]2[C@@H]1CC=CCC1 Clc1ccc(cc1)C[*:1] Cc1cc(=O)n2c(n1)NC(N[*:1])=[NH+][C@H]2[C@@H]1CC=CCC1
Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=[NH+][C@H]2[C@@H]1CC=CCC1 Clc1ccc(cc1)[*:1] Cc1cc(=O)n2c(n1)NC(NC[*:1])=[NH+][C@H]2[C@@H]1CC=CCC1
CN1CCN(C(=O)NCc2cn3ccsc3n2)Cc2ccccc21 c1cn2cc(nc2s1)[*:1] CN1CCN(Cc2ccccc21)C(=O)NC[*:1]
CCC(CC)NC(=O)CCC(=O)c1cc(Cl)sc1Cl CCC(CC)[*:1] O=C(CCC(=O)c1cc(Cl)sc1Cl)N[*:1]
C#CCOc1cc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)ccc1OC C#CC[*:1] COc1ccc(cc1O[*:1])[C@H]1CC(O)=Nc2nc(sc21)N1CCOCC1
C#CCOc1cc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)ccc1OC C#CCO[*:1] COc1ccc(cc1[*:1])[C@H]1CC(O)=Nc2nc(sc21)N1CCOCC1
C#CCOc1cc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)ccc1OC C1CN(CCO1)[*:1] C#CCOc1cc(ccc1OC)[C@H]1CC(O)=Nc2nc(sc21)[*:1]
Cc1cc(S(=O)(=O)N(C)CCc2ccccn2)c(F)cc1F c1ccc(C[*:1])nc1 Cc1cc(c(F)cc1F)S(=O)(=O)N(C)C[*:1]
Cc1cc(S(=O)(=O)N(C)CCc2ccccn2)c(F)cc1F c1ccc(nc1)[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)N(C)CC[*:1]
CC(C)NC(=O)N(C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 CC(C)[*:1] CN(C[C@@H]1CC(=NO1)c1ccc(Cl)cc1)C(=O)N[*:1]
CC(C)NC(=O)N(C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 Clc1ccc(cc1)[*:1] CC(C)NC(=O)N(C)C[C@@H]1CC(=NO1)[*:1]
CC[C@@H](NC(=O)C(=O)Nc1ccccc1COC)c1ccc(C)cc1 COC[*:1] CC[C@@H](NC(=O)C(=O)Nc1ccccc1[*:1])c1ccc(C)cc1
CC[C@@H](NC(=O)C(=O)Nc1ccccc1COC)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)C(=O)Nc1ccccc1COC)[*:1]
C[C@H]([NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1)c1cccc(F)c1F Cn1ccnc1[*:1] C[C@H]([NH2+][C@H](C)c1ccc(cc1)OC[*:1])c1cccc(F)c1F
C[C@H]([NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1)c1cccc(F)c1F Cn1ccnc1CO[*:1] C[C@H]([NH2+][C@H](C)c1ccc(cc1)[*:1])c1cccc(F)c1F
C[C@H]([NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1)c1cccc(F)c1F Cn1ccnc1C[*:1] C[C@H]([NH2+][C@H](C)c1ccc(cc1)O[*:1])c1cccc(F)c1F
C[C@H]([NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1)c1cccc(F)c1F Fc1cccc(c1F)[*:1] C[C@H]([NH2+][C@H](C)c1ccc(cc1)OCc1nccn1C)[*:1]
Cc1ccccc1N1C[C@H](c2nnc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)s2)CC1=O C1CCC(CC1)[*:1] Cc1ccccc1N1C[C@@H](CC1=O)c1nnc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
Cc1ccccc1N1C[C@H](c2nnc(NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)s2)CC1=O Cc1ccccc1[*:1] O=C(Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1])[C@@H]1CC(=O)N(C1)C1CCCCC1
N#Cc1cccc(COC(=O)c2sccc2-n2cccc2)c1 c1ccn(c1)[*:1] N#Cc1cccc(c1)COC(=O)c1sccc1[*:1]
Cc1ccccc1OCC(=O)NCC1CC[NH+](Cc2ccco2)CC1 c1coc(c1)C[*:1] Cc1ccccc1OCC(=O)NCC1CC[NH+](CC1)[*:1]
Cc1ccccc1OCC(=O)NCC1CC[NH+](Cc2ccco2)CC1 c1coc(c1)[*:1] Cc1ccccc1OCC(=O)NCC1CC[NH+](CC1)C[*:1]
Cc1ccccc1OCC(=O)NCC1CC[NH+](Cc2ccco2)CC1 Cc1ccccc1O[*:1] O=C(C[*:1])NCC1CC[NH+](CC1)Cc1ccco1
Cc1ccccc1OCC(=O)NCC1CC[NH+](Cc2ccco2)CC1 Cc1ccccc1[*:1] O=C(CO[*:1])NCC1CC[NH+](CC1)Cc1ccco1
O=C1N=C(c2cccs2)N=C2[C@@H]1SC(=S)N2c1ccccc1 c1ccc(cc1)[*:1] O=C1N=C(N=C2[C@@H]1SC(=S)N2[*:1])c1cccs1
O=C1N=C(c2cccs2)N=C2[C@@H]1SC(=S)N2c1ccccc1 c1csc(c1)[*:1] O=C1N=C(N=C2[C@@H]1SC(=S)N2c1ccccc1)[*:1]
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)COC1CCCCC1 C1CCC(CC1)[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)CO[*:1]
Cc1nc(CNC(=O)[C@H]2CCO[C@H]2C)sc1C(=O)[O-] O=C([O-])[*:1] Cc1nc(CNC(=O)[C@H]2CCO[C@H]2C)sc1[*:1]
CS(=O)(=O)N1CCC[C@@H](C(=O)OCC2CCCCC2)C1 C1CCC(CC1)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C(=O)OC[*:1]
C=Cc1ccc(C(=O)NCc2cccnc2Oc2ccccc2F)cc1 C=Cc1ccc(cc1)[*:1] O=C(NCc1cccnc1Oc1ccccc1F)[*:1]
C=Cc1ccc(C(=O)NCc2cccnc2Oc2ccccc2F)cc1 Fc1ccccc1[*:1] C=Cc1ccc(cc1)C(=O)NCc1cccnc1O[*:1]
C=Cc1ccc(C(=O)NCc2cccnc2Oc2ccccc2F)cc1 Fc1ccccc1O[*:1] C=Cc1ccc(cc1)C(=O)NCc1cccnc1[*:1]
O=C1CCCCN1c1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C1CCCCN1c1ccc(cc1)C(=O)N1CCc2c1cccc2[*:1]
O=C1CCCCN1c1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 O=C1CCCCN1[*:1] O=C(c1ccc(cc1)[*:1])N1CCc2c1cccc2[N+](=O)[O-]
COc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 COc1ccccc1[*:1] O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)N[*:1]
COc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 Clc1ccc(cc1)C[*:1] COc1ccccc1NC(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
COc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 Clc1ccc(cc1)[*:1] COc1ccccc1NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2ccccc21
CC(C)(C)OC(=O)N1CC[C@H](COc2nc3cc([N+](=O)[O-])ccc3o2)C1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1CC[C@H](COc2nc3cc(ccc3o2)[*:1])C1
CC(C)(C)OC(=O)N1CC[C@H](COc2nc3cc([N+](=O)[O-])ccc3o2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H](COc2nc3cc(ccc3o2)[N+](=O)[O-])C1
COc1ncccc1C(=O)OC[C@H](C#N)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ncccc1C(=O)OC[C@H](C#N)[*:1]
COc1ncccc1C(=O)OC[C@H](C#N)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ncccc1C(=O)OC[C@H](C#N)C[*:1]
O=C(/C=C/c1ccc(Br)s1)N1CCOC[C@H]1C1CC1 Brc1ccc(s1)[*:1] O=C(C=C[*:1])N1CCOC[C@H]1C1CC1
O=C(/C=C/c1ccc(Br)s1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(/C=C/c1ccc(Br)s1)N1CCOC[C@@H]1[*:1]
CC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3cc(C)ccc3n2)cc1 CC(=O)N[*:1] Cc1ccc2nc(cc(C(=O)N3CCN(CC3)c3cccc(Cl)c3)c2c1)-c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3cc(C)ccc3n2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1ccc2nc(cc(C(=O)N3CCN(CC3)c3cccc(Cl)c3)c2c1)[*:1]
CC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3cc(C)ccc3n2)cc1 Clc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)[*:1])c2cc(C)ccc2n1
CCn1cc(C[NH2+]CC(C)C)cn1 CC(C)[*:1] CCn1cc(cn1)C[NH2+]C[*:1]
CCn1cc(C[NH2+]CC(C)C)cn1 CC(C)C[*:1] CCn1cc(cn1)C[NH2+][*:1]
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 CC(C)[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)NC[C@H]1CCO[C@H]1[*:1]
Cc1cncc(NC(=O)C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])C(=O)N1CCO[C@@H](C1)c1ccc(F)c(F)c1
Cc1cncc(NC(=O)C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 Fc1ccc(cc1F)[*:1] Cc1cncc(c1)NC(=O)C(=O)N1CCO[C@H](C1)[*:1]
C#CCCNC(=O)CCc1ccccc1 C#CC[*:1] O=C(CCc1ccccc1)NC[*:1]
C#CCCNC(=O)CCc1ccccc1 C#CCC[*:1] O=C(CCc1ccccc1)N[*:1]
CCN(c1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N O=[N+]([O-])[*:1] CCN(c1ccc(F)cc1)S(=O)(=O)c1cccc(c1C#N)[*:1]
CCN(c1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N Fc1ccc(cc1)[*:1] CCN(S(=O)(=O)c1cccc(c1C#N)[N+](=O)[O-])[*:1]
COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2CCCO2)c(OC)c1 C1CO[C@@H](C1)[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)C[*:1]
COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2CCCO2)c(OC)c1 C1CO[C@@H](C1)C[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)[*:1]
O=[N+]([O-])c1cc(Cl)c(OCC2(CS)CC2)c(Cl)c1 O=[N+]([O-])[*:1] SCC1(CC1)COc1c(Cl)cc(cc1Cl)[*:1]
O=[N+]([O-])c1cc(Cl)c(OCC2(CS)CC2)c(Cl)c1 SCC1(CC1)C[*:1] O=[N+]([O-])c1cc(Cl)c(O[*:1])c(Cl)c1
O=[N+]([O-])c1cc(Cl)c(OCC2(CS)CC2)c(Cl)c1 SCC1(CC1)[*:1] O=[N+]([O-])c1cc(Cl)c(OC[*:1])c(Cl)c1
Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2c(C)nn(C)c2Cl)cc1C Cc1nn(C)c(Cl)c1[*:1] Cc1ccc(cc1C)NC(=O)[C@H](C)S(=O)(=O)C[*:1]
Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2c(C)nn(C)c2Cl)cc1C Cc1ccc(cc1C)[*:1] Cc1nn(C)c(Cl)c1CS(=O)(=O)[C@@H](C)C(=O)N[*:1]
Fc1ccc(OC2CCN(c3ncccn3)CC2)cc1 c1cnc(nc1)[*:1] Fc1ccc(cc1)OC1CCN(CC1)[*:1]
Cc1nc(C(=O)N2CC[C@H](C)Sc3ccc(Cl)cc32)cs1 Cc1nc(cs1)[*:1] C[C@H]1CCN(C(=O)[*:1])c2cc(Cl)ccc2S1
CC/[NH+]=C(/NCc1cc(C)oc1C)N1CCN(C2CC2)C(=O)C1 C1CC1[*:1] CC/[NH+]=C(/NCc1cc(C)oc1C)N1CCN(C(=O)C1)[*:1]
CC/[NH+]=C(/NCc1cc(C)oc1C)N1CCN(C2CC2)C(=O)C1 Cc1cc(c(C)o1)[*:1] CC/[NH+]=C(/NC[*:1])N1CCN(C(=O)C1)C1CC1
CN(C)C(=O)c1ccc(CSCCC(=O)Nc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CN(C)C(=O)c1ccc(cc1)CSCCC(=O)N[*:1]
CN(C)C(=O)c1ccc(CSCCC(=O)Nc2cccc(F)c2)cc1 CN(C)C(=O)[*:1] O=C(CCSCc1ccc(cc1)[*:1])Nc1cccc(F)c1
O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccc(N2CCCC2=O)cc1 O=C(N[*:1])c1cccs1 O=C(Oc1ccc(cc1)[*:1])c1ccc(cc1)N1CCCC1=O
O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(Oc1ccc(cc1)NC(=O)c1cccs1)c1ccc(cc1)[*:1]
O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccc(N2CCCC2=O)cc1 c1csc(c1)[*:1] O=C(Oc1ccc(cc1)NC(=O)[*:1])c1ccc(cc1)N1CCCC1=O
Cn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 Cn1cnnc1[*:1] O=C1C[C@@H](CN1Cc1ccccn1)C(=O)N1CCC[C@H](C1)[*:1]
Cn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 c1ccc(C[*:1])nc1 Cn1cnnc1[C@@H]1CCCN(C1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 c1ccc(nc1)[*:1] Cn1cnnc1[C@@H]1CCCN(C1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
O=C(CCCc1nc2ccccc2c(=O)[nH]1)Oc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(CCCc1nc2ccccc2c(=O)[nH]1)O[*:1]
C[C@H](CNC(=O)Nc1cccc2cnccc12)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)Nc1cccc2cnccc12)N[*:1]
C[C@H](CNC(=O)Nc1cccc2cnccc12)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@H](CNC(=O)Nc1cccc2cnccc12)[*:1]
CC(C)[C@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1)c1nnc2n1CCC2 CC(C)[*:1] C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](c1nnc2CCCn21)[*:1]
CC(C)[C@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1)c1nnc2n1CCC2 Clc1ccc(cc1)[*:1] CC(C)[C@H]([NH2+][C@@H](C)C[*:1])c1nnc2CCCn21
COc1ccc(Oc2ncnc(NNC(=O)c3cccnc3)c2N)cc1 COc1ccc(cc1)[*:1] Nc1c(ncnc1O[*:1])NNC(=O)c1cccnc1
COc1ccc(Oc2ncnc(NNC(=O)c3cccnc3)c2N)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)Oc1ncnc(NNC(=O)[*:1])c1N
CCCNC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CCCNC(=O)c1cnc(cn1)O[*:1]
CCCNC(=O)c1cnc(Oc2ccccc2)cn1 CCC[*:1] O=C(N[*:1])c1cnc(cn1)Oc1ccccc1
CCCNC(=O)c1cnc(Oc2ccccc2)cn1 CCCNC(=O)[*:1] c1ccc(cc1)Oc1cnc(cn1)[*:1]
CO[C@@]1(C)C[C@H](N(C)C(=O)CCCn2cncn2)C1(C)C c1ncn(CC[*:1])n1 CO[C@@]1(C)C[C@H](N(C)C(=O)C[*:1])C1(C)C
CO[C@@]1(C)C[C@H](N(C)C(=O)CCCn2cncn2)C1(C)C c1ncn(n1)[*:1] CO[C@@]1(C)C[C@H](N(C)C(=O)CCC[*:1])C1(C)C
CO[C@@]1(C)C[C@H](N(C)C(=O)CCCn2cncn2)C1(C)C c1ncn(C[*:1])n1 CO[C@@]1(C)C[C@H](N(C)C(=O)CC[*:1])C1(C)C
NC(=O)C[NH+](Cc1nc2ccc(N)cc2o1)C1CCCC1 NC(=O)[*:1] Nc1ccc2nc(C[NH+](C[*:1])C3CCCC3)oc2c1
NC(=O)C[NH+](Cc1nc2ccc(N)cc2o1)C1CCCC1 NC(=O)C[*:1] Nc1ccc2nc(C[NH+](C3CCCC3)[*:1])oc2c1
NC(=O)C[NH+](Cc1nc2ccc(N)cc2o1)C1CCCC1 C1CCC(C1)[*:1] NC(=O)C[NH+](Cc1nc2ccc(N)cc2o1)[*:1]
Cc1ccc(OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1C CS(=O)(=O)[*:1] Cc1ccc(cc1C)OC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1ccc(OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1C Cc1ccc(cc1C)[*:1] CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)O[*:1]
Cc1ccc(OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)OC(=O)c1ccc(c(c1)[*:1])S(C)(=O)=O
COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2)cc1Br c1ccc(cc1)O[*:1] COc1ccc(cc1Br)C(=O)NNC(=O)[C@@H](C)[*:1]
COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2)cc1Br c1ccc(cc1)[*:1] COc1ccc(cc1Br)C(=O)NNC(=O)[C@@H](C)O[*:1]
COC(=O)[C@H]1CCCCN1C(=O)c1cccc(Br)c1 COC(=O)[*:1] O=C(c1cccc(Br)c1)N1CCCC[C@@H]1[*:1]
O=C([O-])c1cnc2ccc(Cl)cc2c1C(F)(F)F FC(F)(F)[*:1] O=C([O-])c1cnc2ccc(Cl)cc2c1[*:1]
O=C([O-])c1cnc2ccc(Cl)cc2c1C(F)(F)F O=C([O-])[*:1] FC(F)(F)c1c(cnc2ccc(Cl)cc12)[*:1]
C[C@@H](NCCc1nnc(-c2ccccc2)o1)c1occc1Br Brc1ccoc1[*:1] C[C@@H](NCCc1nnc(o1)-c1ccccc1)[*:1]
C[C@@H](NCCc1nnc(-c2ccccc2)o1)c1occc1Br c1ccc(cc1)[*:1] C[C@@H](NCCc1nnc(o1)[*:1])c1occc1Br
CC[C@](C)([NH2+]CC(=O)NCC(F)(F)F)C(=O)[O-] FC(F)(F)[*:1] CC[C@](C)([NH2+]CC(=O)NC[*:1])C(=O)[O-]
CC[C@](C)([NH2+]CC(=O)NCC(F)(F)F)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)([NH2+]CC(=O)NCC(F)(F)F)[*:1]
CC[C@](C)([NH2+]CC(=O)NCC(F)(F)F)C(=O)[O-] FC(F)(F)C[*:1] CC[C@](C)([NH2+]CC(=O)N[*:1])C(=O)[O-]
CC(=O)Nc1ccc(CC(=O)OCc2cc(=O)n3ccc(C)cc3n2)cc1 CC(=O)N[*:1] Cc1ccn2c(=O)cc(COC(=O)Cc3ccc(cc3)[*:1])nc2c1
CCn1c(S[C@H]2CC[C@@]([NH2+]C3CC3)(C(N)=O)C2)n[nH]c1=O C1CC1[*:1] CCn1c(n[nH]c1=O)S[C@H]1CC[C@@](C1)([NH2+][*:1])C(N)=O
CCn1c(S[C@H]2CC[C@@]([NH2+]C3CC3)(C(N)=O)C2)n[nH]c1=O NC(=O)[*:1] CCn1c(n[nH]c1=O)S[C@H]1CC[C@](C1)([NH2+]C1CC1)[*:1]
C[C@H](Oc1ccc(S(C)(=O)=O)cc1)C(=O)N1CCCc2ccccc21 CS(=O)(=O)[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)N1CCCc2ccccc21
CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)c2cccn2C)cc1 Cn1cccc1[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NNC(=O)[*:1]
CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)c2cccn2C)cc1 CC(C)[*:1] Cn1cccc1C(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)[*:1]
CC(C)(C#N)c1ccccc1CO/N=C(/N)Cc1cccnc1 c1cncc(c1)[*:1] CC(C)(C#N)c1ccccc1CO/N=C(/N)C[*:1]
CC(C)(C#N)c1ccccc1CO/N=C(/N)Cc1cccnc1 c1cncc(c1)C[*:1] CC(C)(C#N)c1ccccc1CO/N=C(/N)[*:1]
CC(C)(C#N)c1ccccc1CO/N=C(/N)Cc1cccnc1 CC(C)(C#N)[*:1] N/C(Cc1cccnc1)=N/OCc1ccccc1[*:1]
CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccc(C)cc3)ncc2C1 Cc1ccc(cc1)C[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@H]1CCCCN1C(=O)[*:1]
CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccc(C)cc3)ncc2C1 Cc1ccc(cc1)[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@H]1CCCCN1C(=O)C[*:1]
CCC[C@H]1C[C@H]1NC(=O)[C@@H](C)Oc1cccc(C#N)c1 CCC[*:1] C[C@@H](Oc1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H]1[*:1]
C#Cc1cccc(NC(=O)NCCC(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] C#Cc1cccc(c1)NC(=O)NCC[*:1]
C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1)c1cccc2ccccc12 Clc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])c1cccc2ccccc12
Cc1cccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C Cc1cccc(NC[*:1])c1C O=C(N1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1)[*:1]
Cc1cccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C Cc1cccc(N[*:1])c1C O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1
Cc1cccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C c1cc2CCCc2cc1[*:1] Cc1cccc(NCC(=O)N2CCN(CC2)S(=O)(=O)[*:1])c1C
Cc1cccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C Cc1cccc(c1C)[*:1] O=C(CN[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1
CN(Cc1c(F)cccc1Cl)C(=O)c1cc(S(C)(=O)=O)ccc1Cl Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)c1cc(ccc1Cl)S(C)(=O)=O
CN(Cc1c(F)cccc1Cl)C(=O)c1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)c1cc(ccc1Cl)[*:1]
COc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)Nc1ccccc1C[*:1]
COc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)C(=O)Nc1ccccc1[*:1]
CCc1nn(C)c(NCc2ccccc2-n2ccc(C)n2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(NCc2ccccc2-n2ccc(C)n2)c1[*:1]
CCc1nn(C)c(NCc2ccccc2-n2ccc(C)n2)c1[N+](=O)[O-] Cc1ccn(n1)[*:1] CCc1nn(C)c(NCc2ccccc2[*:1])c1[N+](=O)[O-]
CC[C@H]([NH3+])c1ccc(O[C@H]2CCO[C@]3(CCSC3)C2)cc1 CC[C@H]([NH3+])[*:1] c1cc(ccc1O[C@H]1CCO[C@]2(CCSC2)C1)[*:1]
CSc1cccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)c1 Clc1cc(c(Cl)s1)[*:1] CSc1cccc(c1)-c1nnc(NC(=O)[*:1])o1
CCCC(=O)c1ccn(C[C@H](C)C(N)=O)c1 C[C@H](C(N)=O)[*:1] CCCC(=O)c1ccn(c1)C[*:1]
CCCC(=O)c1ccn(C[C@H](C)C(N)=O)c1 NC(=O)[*:1] CCCC(=O)c1ccn(c1)C[C@H](C)[*:1]
CCCC(=O)c1ccn(C[C@H](C)C(N)=O)c1 CCC[*:1] C[C@@H](Cn1ccc(c1)C(=O)[*:1])C(N)=O
CCCC(=O)c1ccn(C[C@H](C)C(N)=O)c1 CCCC(=O)[*:1] C[C@@H](Cn1ccc(c1)[*:1])C(N)=O
COc1ccccc1N1CC[C@H](CNC(=O)N(C)[C@@H](C)c2cccc(O)c2)C1 C[C@@H](c1cccc(O)c1)[*:1] COc1ccccc1N1CC[C@H](CNC(=O)N(C)[*:1])C1
COc1ccccc1N1CC[C@H](CNC(=O)N(C)[C@@H](C)c2cccc(O)c2)C1 Oc1cccc(c1)[*:1] COc1ccccc1N1CC[C@H](CNC(=O)N(C)[C@@H](C)[*:1])C1
COc1ccccc1N1CC[C@H](CNC(=O)N(C)[C@@H](C)c2cccc(O)c2)C1 COc1ccccc1[*:1] C[C@@H](c1cccc(O)c1)N(C)C(=O)NC[C@H]1CCN(C1)[*:1]
Cc1cnc(C(C)(C)NC(=O)N[C@@H](C)c2cc(C)sc2C)s1 Cc1cc(c(C)s1)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)N[C@@H](C)[*:1]
Cc1cnc(C(C)(C)NC(=O)N[C@@H](C)c2cc(C)sc2C)s1 Cc1cnc(s1)[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)NC(C)(C)[*:1]
CN(c1ccccc1)c1ccccc1NC(=O)COc1ccc2ccc(=O)oc2c1 CN(c1ccccc1)[*:1] O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1[*:1]
CN(c1ccccc1)c1ccccc1NC(=O)COc1ccc2ccc(=O)oc2c1 c1ccc(cc1)[*:1] CN(c1ccccc1NC(=O)COc1ccc2ccc(=O)oc2c1)[*:1]
O=C([C@H]1C[C@H]1c1ccc(Cl)cc1)N1CCc2c1cccc2[N+](=O)[O-] O=[N+]([O-])[*:1] O=C([C@H]1C[C@H]1c1ccc(Cl)cc1)N1CCc2c1cccc2[*:1]
O=C([C@H]1C[C@H]1c1ccc(Cl)cc1)N1CCc2c1cccc2[N+](=O)[O-] Clc1ccc(cc1)[*:1] O=C([C@H]1C[C@@H]1[*:1])N1CCc2c1cccc2[N+](=O)[O-]
Cc1ccccc1CNC(=O)c1cc2c(F)cccc2n1C Cc1ccccc1[*:1] Cn1c(cc2c(F)cccc21)C(=O)NC[*:1]
CC(C)Cc1noc(C[NH+](Cc2cccc(Cl)c2)C(C)C)n1 CC(C)[*:1] CC(C)[NH+](Cc1cccc(Cl)c1)Cc1nc(C[*:1])no1
CC(C)Cc1noc(C[NH+](Cc2cccc(Cl)c2)C(C)C)n1 Clc1cccc(c1)[*:1] CC(C)Cc1noc(C[NH+](C[*:1])C(C)C)n1
CC(C)Cc1noc(C[NH+](Cc2cccc(Cl)c2)C(C)C)n1 CC(C)C[*:1] CC(C)[NH+](Cc1cccc(Cl)c1)Cc1nc(no1)[*:1]
CC(C)Cc1noc(C[NH+](Cc2cccc(Cl)c2)C(C)C)n1 CC(C)[*:1] CC(C)Cc1noc(C[NH+](Cc2cccc(Cl)c2)[*:1])n1
CCCOc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c1 CCCO[*:1] Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc(c1)[*:1]
CCCOc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c1 Cc1cccc(C)c1[*:1] CCCOc1cccc(/C=C(\C#N)C(=O)N[*:1])c1
CCCOc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c1 CCC[*:1] Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc(c1)O[*:1]
Cc1cc(C)c(NC(=O)CN(C)C(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)c1 FC(F)(F)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)C[C@@H]2Sc3ccc(cc3NC2=O)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(CC(=O)N[*:1])C(=O)C[C@@H]1Sc2ccc(cc2NC1=O)C(F)(F)F
CC(C)[C@H]1C(=O)NC(=O)C[C@@H]1c1ccc(Cl)c(F)c1 CC(C)[*:1] O=C1C[C@H](c2ccc(Cl)c(F)c2)[C@H](C(=O)N1)[*:1]
O=S(=O)(N1CCCC1)N1C[C@H](CN2CCOCC2)c2ccccc21 C1CN(CCO1)C[*:1] O=S(=O)(N1CCCC1)N1C[C@H](c2ccccc21)[*:1]
O=S(=O)(N1CCCC1)N1C[C@H](CN2CCOCC2)c2ccccc21 C1CN(CCO1)[*:1] O=S(=O)(N1CCCC1)N1C[C@H](C[*:1])c2ccccc21
Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1Br c1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)Nc1ccccc1Br)[*:1]
Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1Br Brc1ccccc1[*:1] Cc1nc(ncc1C(=O)N[*:1])-c1ccccc1
CCCCC[C@@H]([NH2+]C)c1cc(F)cc(Br)c1 CCCCC[*:1] C[NH2+][C@@H](c1cc(F)cc(Br)c1)[*:1]
CCCCC[C@@H]([NH2+]C)c1cc(F)cc(Br)c1 CCC[*:1] C[NH2+][C@H](CC[*:1])c1cc(F)cc(Br)c1
CCCCC[C@@H]([NH2+]C)c1cc(F)cc(Br)c1 CCCC[*:1] C[NH2+][C@H](C[*:1])c1cc(F)cc(Br)c1
O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1cccc(c1)[*:1]
CC[C@@H](CCO)NC(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 OCC[*:1] CC[C@@H](NC(=O)N[C@@H](C)c1nc(no1)-c1cccc(F)c1)[*:1]
CC[C@@H](CCO)NC(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] CC[C@@H](CCO)NC(=O)N[C@@H](C)c1nc(no1)[*:1]
CC[C@@H](CCO)NC(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 CC[C@@H](CCO)[*:1] C[C@H](NC(=O)N[*:1])c1nc(no1)-c1cccc(F)c1
CCC[C@@H]1C[C@@H]1NC(=O)N(C)[C@@H](C)CSC CCC[*:1] CSC[C@H](C)N(C)C(=O)N[C@H]1C[C@H]1[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)N(C)[C@@H](C)CSC CSC[C@H](C)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)N(C)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)N(C)[C@@H](C)CSC CSC[*:1] CCC[C@@H]1C[C@@H]1NC(=O)N(C)[C@@H](C)[*:1]
COc1cccc(CN2CCOc3c(cc(-c4cccnc4)cc3OC)C2)c1 c1cncc(c1)[*:1] COc1cccc(c1)CN1CCOc2c(cc(cc2OC)[*:1])C1
COc1cccc(CN2CCOc3c(cc(-c4cccnc4)cc3OC)C2)c1 COc1cccc(c1)C[*:1] COc1cc(cc2CN(CCOc21)[*:1])-c1cccnc1
COc1cccc(CN2CCOc3c(cc(-c4cccnc4)cc3OC)C2)c1 COc1cccc(c1)[*:1] COc1cc(cc2CN(CCOc21)C[*:1])-c1cccnc1
Cn1cc[nH+]c1N1CCN(Cc2nnc(-c3ccccc3)n2C)CC1 c1ccc(cc1)[*:1] Cn1cc[nH+]c1N1CCN(CC1)Cc1nnc(n1C)[*:1]
C[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)C(=O)Nc1cc(on1)C(C)(C)C)O[*:1]
C[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C[C@H](CNC(=O)C(=O)Nc1cc(on1)C(C)(C)C)[*:1]
C[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1)Oc1ccc(F)cc1 CC(C)(C)[*:1] C[C@H](CNC(=O)C(=O)Nc1cc(on1)[*:1])Oc1ccc(F)cc1
CN(CCCc1ccccc1)C(=O)c1cccc(-n2nc([O-])ccc2=O)c1 c1ccc(cc1)CC[*:1] CN(C[*:1])C(=O)c1cccc(c1)-n1nc([O-])ccc1=O
CN(CCCc1ccccc1)C(=O)c1cccc(-n2nc([O-])ccc2=O)c1 c1ccc(cc1)[*:1] CN(CCC[*:1])C(=O)c1cccc(c1)-n1nc([O-])ccc1=O
CN(CCCc1ccccc1)C(=O)c1cccc(-n2nc([O-])ccc2=O)c1 c1ccc(cc1)CCC[*:1] CN(C(=O)c1cccc(c1)-n1nc([O-])ccc1=O)[*:1]
CN(CCCc1ccccc1)C(=O)c1cccc(-n2nc([O-])ccc2=O)c1 c1ccc(cc1)C[*:1] CN(CC[*:1])C(=O)c1cccc(c1)-n1nc([O-])ccc1=O
Cc1ccsc1C(=O)/C(C#N)=C\c1ccccc1OCC(=O)N(C)C CN(C)C(=O)CO[*:1] Cc1ccsc1C(=O)/C(C#N)=C\c1ccccc1[*:1]
Cc1ccsc1C(=O)/C(C#N)=C\c1ccccc1OCC(=O)N(C)C CN(C)C(=O)C[*:1] Cc1ccsc1C(=O)/C(C#N)=C\c1ccccc1O[*:1]
Cc1ccsc1C(=O)/C(C#N)=C\c1ccccc1OCC(=O)N(C)C Cc1ccsc1C(=O)[*:1] CN(C)C(=O)COc1ccccc1C=C(C#N)[*:1]
Cc1ccsc1C(=O)/C(C#N)=C\c1ccccc1OCC(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccsc1C(=O)/C(C#N)=C\c1ccccc1OC[*:1]
Cc1ccsc1C(=O)/C(C#N)=C\c1ccccc1OCC(=O)N(C)C Cc1ccsc1[*:1] CN(C)C(=O)COc1ccccc1/C=C(/C#N)C(=O)[*:1]
COc1ccc(N2/C(=N/C(=O)COc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 Clc1ccc(cc1)OC[*:1] COc1ccc(cc1)N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
COc1ccc(N2/C(=N/C(=O)COc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)N1/C(=N/C(=O)CO[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
COc1ccc(N2/C(=N/C(=O)COc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 Clc1ccc(cc1)O[*:1] COc1ccc(cc1)N1/C(=N/C(=O)C[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
COc1ccc(N2/C(=N/C(=O)COc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CC(C)(C)[C@H](O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1C#N CC(C)(C)[*:1] N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC[C@@H](O)[*:1]
Cc1cc(C)c(CNc2ccc(C(=O)NCCCO)cc2)c(C)c1 O=C(NCCCO)[*:1] Cc1cc(C)c(CNc2ccc(cc2)[*:1])c(C)c1
Cc1cc(C)c(CNc2ccc(C(=O)NCCCO)cc2)c(C)c1 OCC[*:1] Cc1cc(C)c(CNc2ccc(cc2)C(=O)NC[*:1])c(C)c1
Cc1cc(C)c(CNc2ccc(C(=O)NCCCO)cc2)c(C)c1 OCCC[*:1] Cc1cc(C)c(CNc2ccc(cc2)C(=O)N[*:1])c(C)c1
CCCS[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH2+]C CCC[*:1] C[NH2+][C@@H]1c2cc(ccc2CC[C@H]1S[*:1])OC
CCCS[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH2+]C CCCS[*:1] C[NH2+][C@@H]1c2cc(ccc2CC[C@H]1[*:1])OC
CCN(CC)C(=O)CN1CCC[NH+](CC(=O)N2CCCCC2)CC1 CCN(CC)C(=O)C[*:1] O=C(C[NH+]1CCCN(CC1)[*:1])N1CCCCC1
CCN(CC)C(=O)CN1CCC[NH+](CC(=O)N2CCCCC2)CC1 CCN(CC)C(=O)[*:1] O=C(C[NH+]1CCCN(CC1)C[*:1])N1CCCCC1
CCN(CC)C(=O)CN1CCC[NH+](CC(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] CCN(CC)C(=O)CN1CCC[NH+](CC1)C[*:1]
CCCCCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O O=[N+]([O-])[*:1] CCCCCn1nc(ccc1=O)-c1cccc(c1)[*:1]
CCCCCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O CCCC[*:1] O=c1ccc(nn1C[*:1])-c1cccc(c1)[N+](=O)[O-]
CCCCCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O CCCCC[*:1] O=c1ccc(nn1[*:1])-c1cccc(c1)[N+](=O)[O-]
CCCCCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O CCC[*:1] O=c1ccc(nn1CC[*:1])-c1cccc(c1)[N+](=O)[O-]
CCCCOc1ccc(NC(=O)[C@]2(C)CC[C@](C)(C(=O)[O-])C2(C)C)cc1 CCCC[*:1] CC1(C)[C@](C)(CC[C@@]1(C)C(=O)Nc1ccc(cc1)O[*:1])C(=O)[O-]
CCCCOc1ccc(NC(=O)[C@]2(C)CC[C@](C)(C(=O)[O-])C2(C)C)cc1 CCC[*:1] CC1(C)[C@](C)(CC[C@@]1(C)C(=O)Nc1ccc(cc1)OC[*:1])C(=O)[O-]
CCCCOc1ccc(NC(=O)[C@]2(C)CC[C@](C)(C(=O)[O-])C2(C)C)cc1 CCCCO[*:1] CC1(C)[C@](C)(CC[C@@]1(C)C(=O)Nc1ccc(cc1)[*:1])C(=O)[O-]
CCCCOc1ccc(NC(=O)[C@]2(C)CC[C@](C)(C(=O)[O-])C2(C)C)cc1 O=C([O-])[*:1] CCCCOc1ccc(cc1)NC(=O)[C@]1(C)CC[C@](C)(C1(C)C)[*:1]
CCCCn1cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(C)=O)c(C)n1 CCC[*:1] CC(=O)N1CCc2cc(ccc21)NS(=O)(=O)c1cn(C[*:1])nc1C
CCCCn1cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(C)=O)c(C)n1 CCCC[*:1] CC(=O)N1CCc2cc(ccc21)NS(=O)(=O)c1cn(nc1C)[*:1]
O=C(/N=C1/N=[NH+][C@H](c2cccnc2)S1)c1ccc(Cl)c(Cl)c1 c1cncc(c1)[*:1] O=C(/N=C1/N=[NH+][C@H](S1)[*:1])c1ccc(Cl)c(Cl)c1
CN(Cc1ccncc1)C(=O)c1cccn1CC(=O)[O-] O=C([O-])C[*:1] CN(Cc1ccncc1)C(=O)c1cccn1[*:1]
CN(Cc1ccncc1)C(=O)c1cccn1CC(=O)[O-] O=C([O-])[*:1] CN(Cc1ccncc1)C(=O)c1cccn1C[*:1]
CN(Cc1ccncc1)C(=O)c1cccn1CC(=O)[O-] c1cc(ccn1)[*:1] CN(C[*:1])C(=O)c1cccn1CC(=O)[O-]
N#Cc1ccccc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] N#Cc1ccccc1NC(=O)COC(=O)c1cccc(c1)[*:1]
N#Cc1ccccc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 N#Cc1ccccc1[*:1] O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)N[*:1]
CN(C(=O)CSc1nncc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CSc1nncc2ccccc12)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC[C@H](O)COc1ccc(F)cc1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC[C@H](O)COc1ccc(F)cc1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC[C@H](O)COc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(ccc1NC[C@H](O)CO[*:1])[N+](=O)[O-]
Cc1ccc(C(=O)NN)cc1N NNC(=O)[*:1] Cc1ccc(cc1N)[*:1]
Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)c1C Cc1cccc(c1C)[*:1] O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)N[*:1]
CCOc1ccccc1CCNC(=O)N1CCC[C@@H](NC(=O)CC)C1 CCO[*:1] CCC(=O)N[C@@H]1CCCN(C1)C(=O)NCCc1ccccc1[*:1]
CCOc1ccccc1CCNC(=O)N1CCC[C@@H](NC(=O)CC)C1 CCC(=O)N[*:1] CCOc1ccccc1CCNC(=O)N1CCC[C@@H](C1)[*:1]
CC(C)C[NH2+]Cc1cn(Cc2cccc(O)c2)nn1 CC(C)C[*:1] Oc1cccc(c1)Cn1cc(C[NH2+][*:1])nn1
CC(C)C[NH2+]Cc1cn(Cc2cccc(O)c2)nn1 CC(C)[*:1] Oc1cccc(c1)Cn1cc(C[NH2+]C[*:1])nn1
COc1ccccc1-n1cnnc1[S@@](=O)Cc1csc(C)n1 Cc1nc(cs1)C[*:1] COc1ccccc1-n1cnnc1[S@@](=O)[*:1]
COc1ccccc1-n1cnnc1[S@@](=O)Cc1csc(C)n1 Cc1nc(cs1)[*:1] COc1ccccc1-n1cnnc1[S@@](=O)C[*:1]
Cc1ccccc1C(=O)NCC(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 Cc1ccccc1[*:1] O=C(CNC(=O)[*:1])NC[C@@H]1C[C@@]12CCc1ccccc12
CC[NH2+][C@@H]1CCOC[C@@H]1SC[C@@H](C)CO C[C@@H](CO)[*:1] CC[NH2+][C@@H]1CCOC[C@@H]1SC[*:1]
CC[NH2+][C@@H]1CCOC[C@@H]1SC[C@@H](C)CO C[C@@H](CO)C[*:1] CC[NH2+][C@@H]1CCOC[C@@H]1S[*:1]
CCC[C@H]1CN(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)CCO1 COC(=O)[*:1] CCC[C@H]1CN(CCO1)C(=O)c1c(C)[nH]c(c1C)[*:1]
CCC[C@H]1CN(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)CCO1 CCC[*:1] COC(=O)c1[nH]c(C)c(C(=O)N2CCO[C@H](C2)[*:1])c1C
C=CCCCN(C)c1c(C)c(C)nc2ncnn12 C=CCC[*:1] Cc1nc2ncnn2c(c1C)N(C)C[*:1]
C=CCCCN(C)c1c(C)c(C)nc2ncnn12 C=CC[*:1] Cc1nc2ncnn2c(c1C)N(C)CC[*:1]
C=CCCCN(C)c1c(C)c(C)nc2ncnn12 C=CCCC[*:1] Cc1nc2ncnn2c(c1C)N(C)[*:1]
CCOC(=O)C(=O)NNC(=O)CC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C(=O)NNC(=O)CC(C)(C)[*:1]
[NH3+]C[C@@]1(O)CCC[C@@H]1CCN1CC[NH+](CC2CC2)CC1 C1CC1[*:1] [NH3+]C[C@@]1(O)CCC[C@@H]1CCN1CC[NH+](CC1)C[*:1]
[NH3+]C[C@@]1(O)CCC[C@@H]1CCN1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] [NH3+]C[C@@]1(O)CCC[C@@H]1CCN1CC[NH+](CC1)[*:1]
CCOc1ccc(Oc2cncc(C[NH3+])n2)cc1 CCO[*:1] [NH3+]Cc1cncc(n1)Oc1ccc(cc1)[*:1]
CCSc1nc2ccc(NC(=O)C(C)(C)C)cc2s1 CCS[*:1] CC(C)(C)C(=O)Nc1ccc2nc(sc2c1)[*:1]
CCSc1nc2ccc(NC(=O)C(C)(C)C)cc2s1 CC(C)(C)[*:1] CCSc1nc2ccc(cc2s1)NC(=O)[*:1]
COc1ccc2c(c1)=C(CCN1C(=O)[C@H]3N=[NH+][C@@H](c4ccccc4)[C@H]3[C@H]1c1ccccc1OC)C[NH+]=2 COc1ccccc1[*:1] COc1ccc2=[NH+]CC(CCN3C(=O)[C@H]4N=[NH+][C@@H](c5ccccc5)[C@H]4[C@@H]3[*:1])=c2c1
COc1ccc2c(c1)=C(CCN1C(=O)[C@H]3N=[NH+][C@@H](c4ccccc4)[C@H]3[C@H]1c1ccccc1OC)C[NH+]=2 c1ccc(cc1)[*:1] COc1ccc2=[NH+]CC(CCN3C(=O)[C@H]4N=[NH+][C@@H]([C@H]4[C@H]3c3ccccc3OC)[*:1])=c2c1
O=C(NC[C@@H]1CCCO1)NC[C@H]1CCS(=O)(=O)C1 C1CO[C@@H](C1)[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)NC[*:1]
O=C(NC[C@@H]1CCCO1)NC[C@H]1CCS(=O)(=O)C1 C1CO[C@@H](C1)C[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)N[*:1]
CCN1C[C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O CC(=O)N[*:1] CCN1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])N1C(=O)CCS1(=O)=O
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 O=C1CCS(=O)(=O)N1[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)NC(C)=O)[*:1]
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)[*:1])N1C(=O)CCS1(=O)=O
CCC[C@@](C)(CO)NC(=O)NC[C@@H](C)c1ccsc1 c1cc(cs1)[*:1] CCC[C@@](C)(CO)NC(=O)NC[C@@H](C)[*:1]
CCC[C@@](C)(CO)NC(=O)NC[C@@H](C)c1ccsc1 CCC[*:1] C[C@H](CNC(=O)N[C@@](C)(CO)[*:1])c1ccsc1
CC1(C)CCCN1C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 O=S1(=O)CCCN1[*:1] CC1(C)CCCN1C(=O)Nc1ccc(F)c(c1)[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)CNC(=O)CC2CCCC2)o1 C1CCC(C1)C[*:1] Cc1ccc(o1)[C@@H]1CSCCN1C(=O)CNC(=O)[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)CNC(=O)CC2CCCC2)o1 C1CCC(C1)[*:1] Cc1ccc(o1)[C@@H]1CSCCN1C(=O)CNC(=O)C[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)CNC(=O)CC2CCCC2)o1 Cc1ccc(o1)[*:1] O=C(CC1CCCC1)NCC(=O)N1CCSC[C@H]1[*:1]
Cc1cc([N+](=O)[O-])cnc1N1CCC(c2c[nH]c3ncccc23)CC1 O=[N+]([O-])[*:1] Cc1cc(cnc1N1CCC(CC1)c1c[nH]c2ncccc12)[*:1]
Cc1ccc(OCCCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1 Cc1ccc(cc1)O[*:1] O=C(CCC[*:1])N1CCC[C@@H](C1)c1ccn[nH]1
Cc1ccc(OCCCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(CCCO[*:1])N1CCC[C@@H](C1)c1ccn[nH]1
Cc1ccc(OCCCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1 c1cc([nH]n1)[*:1] Cc1ccc(cc1)OCCCC(=O)N1CCC[C@H](C1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)c1ccc(Br)s1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N[*:1])C(=O)NNC(=O)c1ccc(Br)s1
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)c1ccc(Br)s1 CC(C)[*:1] O=C(Nc1ccccc1)N[C@@H](C(=O)NNC(=O)c1ccc(Br)s1)[*:1]
COCc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1 FC(F)(F)C[*:1] COCc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
COCc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1 COC[*:1] O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(cc1)[*:1]
COCc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1 O=C(NCC(F)(F)F)[*:1] COCc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
COCc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1 FC(F)(F)[*:1] COCc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC[*:1]
O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCCC[C@H]3Cl)nc2c1 O=[N+]([O-])[*:1] Cl[C@@H]1CCCC[C@H]1Nc1nc2cc(ccc2[nH]1)[*:1]
Cc1csc(NC(=O)NCc2cccc(OCc3ccccn3)c2)n1 Cc1csc(n1)[*:1] O=C(NCc1cccc(c1)OCc1ccccn1)N[*:1]
Cc1csc(NC(=O)NCc2cccc(OCc3ccccn3)c2)n1 c1ccc(CO[*:1])nc1 Cc1csc(n1)NC(=O)NCc1cccc(c1)[*:1]
Cc1csc(NC(=O)NCc2cccc(OCc3ccccn3)c2)n1 c1ccc(C[*:1])nc1 Cc1csc(n1)NC(=O)NCc1cccc(c1)O[*:1]
Cc1csc(NC(=O)NCc2cccc(OCc3ccccn3)c2)n1 c1ccc(nc1)[*:1] Cc1csc(n1)NC(=O)NCc1cccc(c1)OC[*:1]
COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3s/c(=C\c4ccccc4OC)c(=O)n32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] COc1ccccc1/C=c1\sc2=NC(C)=C(C(C)=O)[C@H](n2c1=O)[*:1]
COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3s/c(=C\c4ccccc4OC)c(=O)n32)c(OC)c1 COc1ccccc1[*:1] COc1ccc(c(c1)OC)[C@@H]1C(C(C)=O)=C(C)N=c2sc(=C[*:1])c(=O)n21
COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3s/c(=C\c4ccccc4OC)c(=O)n32)c(OC)c1 CC(=O)[*:1] COc1ccc(c(c1)OC)[C@@H]1C(=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n21)[*:1]
CCc1ccccc1NC(=O)Nc1ccc2oc(COC)nc2c1 CCc1ccccc1[*:1] COCc1nc2cc(ccc2o1)NC(=O)N[*:1]
CCc1ccccc1NC(=O)Nc1ccc2oc(COC)nc2c1 COC[*:1] CCc1ccccc1NC(=O)Nc1ccc2oc(nc2c1)[*:1]
CNC(=O)[C@H]1SC(=S)n2c1nc(=O)c1cc(Cl)ccc12 CNC(=O)[*:1] O=c1nc2[C@H](SC(=S)n2c2ccc(Cl)cc12)[*:1]
C[C@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O O=[N+]([O-])[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)CNC(=O)c1cccc(c1)[*:1]
C[C@H](O/N=C(\N)C(F)(F)F)C(=O)N1CCCCCC1 FC(F)(F)[*:1] C[C@H](O/N=C(\N)[*:1])C(=O)N1CCCCCC1
Cc1nccn1-c1cncc(NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 Cc1nccn1[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNc1cncc(n1)[*:1]
Cc1ccc(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1 NS(=O)(=O)[*:1] Cc1ccc(NC(=S)NCCc2ccc(cc2)[*:1])c(C)c1
Cc1ccc(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=S)N[*:1]
Cc1cccc(C(=O)N2CCC[C@H]2c2nncn2CC(C)C)c1 CC(C)C[*:1] Cc1cccc(c1)C(=O)N1CCC[C@H]1c1nncn1[*:1]
Cc1cccc(C(=O)N2CCC[C@H]2c2nncn2CC(C)C)c1 Cc1cccc(c1)[*:1] CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)[*:1]
Cc1cccc(C(=O)N2CCC[C@H]2c2nncn2CC(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N1CCC[C@H]1c1nncn1C[*:1]
CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(OC)cc3)n2)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cnnc(n1)-n1nc(C)c2c1NC(=O)C[C@H]2[*:1]
CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(OC)cc3)n2)cc1 COc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(n1)[*:1]
COC(=O)CN1CCNC[C@@H]1C#N COC(=O)[*:1] N#C[C@H]1CNCCN1C[*:1]
COc1cccc([C@H](C/N=C/c2cccc(OC)c2O)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] COc1cccc(/C=N/C[C@H]([NH+]2CCCC2)[*:1])c1O
CC(C)[C@@H](O)CCNC(=O)C1(O)Cc2ccccc2C1 CC(C)[*:1] O=C(NCC[C@H](O)[*:1])C1(O)Cc2ccccc2C1
CC(C)[C@@H](O)CCNC(=O)C1(O)Cc2ccccc2C1 CC(C)[C@@H](O)[*:1] O=C(NCC[*:1])C1(O)Cc2ccccc2C1
CC(C)[C@@H](O)CCNC(=O)C1(O)Cc2ccccc2C1 CC(C)[C@@H](O)C[*:1] O=C(NC[*:1])C1(O)Cc2ccccc2C1
C[NH+]1CCCc2c(c3cc(F)ccc3n2-c2ccncc2)C1 c1cc(ccn1)[*:1] C[NH+]1CCCc2c(C1)c1cc(F)ccc1n2[*:1]
O=C([O-])[C@@H](CCC(F)(F)F)c1ccc(Cl)cc1 FC(F)(F)C[*:1] O=C([O-])[C@@H](C[*:1])c1ccc(Cl)cc1
O=C([O-])[C@@H](CCC(F)(F)F)c1ccc(Cl)cc1 FC(F)(F)[*:1] O=C([O-])[C@@H](CC[*:1])c1ccc(Cl)cc1
O=C([O-])[C@@H](CCC(F)(F)F)c1ccc(Cl)cc1 O=C([O-])[*:1] FC(F)(F)CC[C@@H](c1ccc(Cl)cc1)[*:1]
O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](CO)C1 c1ccc(cc1)[*:1] O=C(NCCN1CC[NH+](CC1)C[*:1])N1CCC[C@H](CO)C1
O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](CO)C1 c1ccc(cc1)C[*:1] O=C(NCCN1CC[NH+](CC1)[*:1])N1CCC[C@H](CO)C1
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c[nH]1 O=C([O-])[*:1] O=S(=O)([N-]c1ccc(F)c(c1)C(F)(F)F)c1c[nH]c(c1)[*:1]
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c[nH]1 FC(F)(F)[*:1] O=C([O-])c1cc(c[nH]1)S(=O)(=O)[N-]c1ccc(F)c(c1)[*:1]
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(CC=C[*:1])CC1
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(CC1)C[*:1]
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 C(=C/c1ccccc1)\C[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)Cn2nc3n(C)c(=O)c4ccc(C(=O)NC5CCCCC5)cc4n3c2=O)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)NC(=O)Cn1nc2n(C)c(=O)c3ccc(cc3n2c1=O)C(=O)N[*:1]
Cc1ccc(NC(=O)Cn2nc3n(C)c(=O)c4ccc(C(=O)NC5CCCCC5)cc4n3c2=O)cc1 Cc1ccc(cc1)NC(=O)C[*:1] Cn1c(=O)c2ccc(cc2n2c(=O)n(nc12)[*:1])C(=O)NC1CCCCC1
Cc1ccc(NC(=O)Cn2nc3n(C)c(=O)c4ccc(C(=O)NC5CCCCC5)cc4n3c2=O)cc1 O=C(NC1CCCCC1)[*:1] Cc1ccc(cc1)NC(=O)Cn1nc2n(C)c(=O)c3ccc(cc3n2c1=O)[*:1]
Cc1ccc(NC(=O)Cn2nc3n(C)c(=O)c4ccc(C(=O)NC5CCCCC5)cc4n3c2=O)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2ccc(cc2n2c(=O)n(CC(=O)N[*:1])nc12)C(=O)NC1CCCCC1
Cc1ccc(NC(=O)Cn2nc3n(C)c(=O)c4ccc(C(=O)NC5CCCCC5)cc4n3c2=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cn1c(=O)c2ccc(cc2n2c(=O)n(C[*:1])nc12)C(=O)NC1CCCCC1
CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CC(=O)N(C4CC4)C3)ncc2C1 O=C1C[C@@H](CN1C1CC1)[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@H]1CCCN1C(=O)[*:1]
CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CC(=O)N(C4CC4)C3)ncc2C1 C1CC1[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@H](C(=O)N(C)[C@@H](C)Cc1cccs1)/C(N)=N/O N/C(=N\O)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](C)[*:1]
C[C@H](C(=O)N(C)[C@@H](C)Cc1cccs1)/C(N)=N/O C[C@H](/C(N)=N/O)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)[*:1]
C[C@H](C(=O)N(C)[C@@H](C)Cc1cccs1)/C(N)=N/O c1csc(c1)[*:1] C[C@H](C(=O)N(C)[C@@H](C)C[*:1])/C(N)=N/O
C[C@H](C(=O)N(C)[C@@H](C)Cc1cccs1)/C(N)=N/O c1csc(c1)C[*:1] C[C@H](C(=O)N(C)[C@@H](C)[*:1])/C(N)=N/O
COc1ccc(CNC(=O)N[C@H](C)c2ccc(C)c(F)c2)cc1NC(C)=O Cc1ccc(cc1F)[*:1] COc1ccc(cc1NC(C)=O)CNC(=O)N[C@H](C)[*:1]
COc1ccc(CNC(=O)N[C@H](C)c2ccc(C)c(F)c2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])CNC(=O)N[C@H](C)c1ccc(C)c(F)c1
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NC[C@@H]1COc2ccccc2O1 CC(C)[*:1] C[C@H]1C[C@@H]1CN(C(=O)NC[C@@H]1COc2ccccc2O1)[*:1]
COC(=O)Cn1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)n1 COC(=O)C[*:1] O=S(=O)(Nc1ccn(n1)[*:1])c1ccc(F)cc1Cl
COC(=O)Cn1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)n1 COC(=O)[*:1] O=S(=O)(Nc1ccn(C[*:1])n1)c1ccc(F)cc1Cl
COC(=O)CCSc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 COC(=O)CC[*:1] O=[N+]([O-])c1ccc(nc1-c1ccccc1)S[*:1]
COC(=O)CCSc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 COC(=O)C[*:1] O=[N+]([O-])c1ccc(nc1-c1ccccc1)SC[*:1]
COC(=O)CCSc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 COC(=O)[*:1] O=[N+]([O-])c1ccc(nc1-c1ccccc1)SCC[*:1]
COC(=O)CCSc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 c1ccc(cc1)[*:1] COC(=O)CCSc1ccc(c(n1)[*:1])[N+](=O)[O-]
COC(=O)CCSc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 COC(=O)CCS[*:1] O=[N+]([O-])c1ccc(nc1-c1ccccc1)[*:1]
COC(=O)CCSc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 O=[N+]([O-])[*:1] COC(=O)CCSc1ccc(c(n1)-c1ccccc1)[*:1]
NC(=O)[C@@H]1CCCN(C(=O)CN2CCc3c(F)ccc(F)c3C2)C1 NC(=O)[*:1] O=C(CN1CCc2c(F)ccc(F)c2C1)N1CCC[C@H](C1)[*:1]
COc1ccc(C2=C[C@@H]([C@@H]3NN[C@H](SCC(=O)Nc4nccs4)N3N)N=N2)cc1 COc1ccc(cc1)[*:1] NN1[C@H](NN[C@H]1[C@@H]1C=C(N=N1)[*:1])SCC(=O)Nc1nccs1
COc1ccc(C2=C[C@@H]([C@@H]3NN[C@H](SCC(=O)Nc4nccs4)N3N)N=N2)cc1 c1csc(n1)[*:1] COc1ccc(cc1)C1=C[C@H](N=N1)[C@@H]1NN[C@H](SCC(=O)N[*:1])N1N
COc1ccc(C2=C[C@@H]([C@@H]3NN[C@H](SCC(=O)Nc4nccs4)N3N)N=N2)cc1 O=C(C[*:1])Nc1nccs1 COc1ccc(cc1)C1=C[C@H](N=N1)[C@@H]1NN[C@H](S[*:1])N1N
COc1ccc(C2=C[C@@H]([C@@H]3NN[C@H](SCC(=O)Nc4nccs4)N3N)N=N2)cc1 O=C(Nc1nccs1)[*:1] COc1ccc(cc1)C1=C[C@H](N=N1)[C@@H]1NN[C@H](SC[*:1])N1N
NC(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 NC(=O)N[*:1] O=C([C@@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F)N1CCC(CC1)[*:1]
NC(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] NC(=O)NC1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(cc1)[*:1]
Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ccc(F)cc4)CC3)c2cc1Cl Fc1ccc(cc1)[*:1] Cc1cc2oc(=O)cc(C[NH+]3CCN(CC3)[*:1])c2cc1Cl
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] N#CC1=C(NC(=O)C[C@@H]1c1ccccc1)SCC(=O)N[*:1]
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] N#CC1=C(NC(=O)C[C@H]1[*:1])SCC(=O)Nc1ccccc1
CCC[C@@H]1C[C@H]1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 CCC[*:1] O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1C[C@H]1[*:1]
O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 C1CCN(C1)[*:1] O=C(NC(=S)Nc1ccccc1[*:1])c1ccc(o1)-c1cccc(c1)[N+](=O)[O-]
O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(o1)-c1cccc(c1)[*:1]
O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(o1)[*:1]
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])C[C@@H](c2ccccc2)C(C)C)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)S(=O)(=O)/N=C(\[O-])C[C@@H](C(C)C)[*:1]
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])C[C@@H](c2ccccc2)C(C)C)s1 CC(C)[*:1] Cc1nc(C)c(s1)S(=O)(=O)/N=C(\[O-])C[C@@H](c1ccccc1)[*:1]
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])C[C@@H](c2ccccc2)C(C)C)s1 Cc1nc(C)c(s1)[*:1] CC(C)[C@@H](C/C([O-])=N/S(=O)(=O)[*:1])c1ccccc1
Cc1cc(C)n(-c2ccccc2NC(=O)CCNC(=O)c2ccsc2)n1 O=C(N[*:1])c1ccsc1 Cc1cc(C)n(n1)-c1ccccc1NC(=O)CC[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)CCNC(=O)c2ccsc2)n1 c1cc(cs1)[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)CCNC(=O)[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)CCNC(=O)c2ccsc2)n1 Cc1cc(C)n(n1)[*:1] O=C(CCNC(=O)c1ccsc1)Nc1ccccc1[*:1]
CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)cc1Cl Cc1ccc(F)c(c1)[*:1] CCN(CC)C(=O)c1ccc(cc1Cl)[N-]S(=O)(=O)[*:1]
CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)cc1Cl CCN(CC)C(=O)[*:1] Cc1ccc(F)c(c1)S(=O)(=O)[N-]c1ccc(c(Cl)c1)[*:1]
CC(=O)c1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(CN1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-])N[*:1]
CC(=O)c1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 O=[N+]([O-])[*:1] CC(=O)c1ccc(cc1)NC(=O)CN1C(=O)c2ccc(cc2C1=O)[*:1]
CC(=O)c1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 CC(=O)[*:1] O=C(CN1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
CCc1cnc(CCNC(=O)C(=O)Nc2ccc3[nH]ncc3c2)s1 CCc1cnc(C[*:1])s1 O=C(NC[*:1])C(=O)Nc1ccc2[nH]ncc2c1
CCc1cnc(CCNC(=O)C(=O)Nc2ccc3[nH]ncc3c2)s1 CCc1cnc(s1)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc2[nH]ncc2c1
COCC[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 COCC[*:1] C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)[*:1]
COCC[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 COC[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCOC2(CCCC2)C1
Cc1nnc(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)s1 Cc1nnc(S[*:1])s1 O=C(C[*:1])Nc1cc(nn1-c1ccccc1)C1CC1
Cc1nnc(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)s1 Cc1nnc(SC[*:1])s1 O=C(Nc1cc(nn1-c1ccccc1)C1CC1)[*:1]
Cc1nnc(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nnc(SCC(=O)Nc2cc(nn2[*:1])C2CC2)s1
Cc1nnc(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)s1 C1CC1[*:1] Cc1nnc(SCC(=O)Nc2cc(nn2-c2ccccc2)[*:1])s1
Cc1nnc(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)s1 Cc1nnc(s1)[*:1] O=C(CS[*:1])Nc1cc(nn1-c1ccccc1)C1CC1
C/C(=N\NC(=O)c1ccccc1-n1cccc1)c1cc(O)cc(O)c1 c1ccn(c1)[*:1] C/C(=N\NC(=O)c1ccccc1[*:1])c1cc(O)cc(O)c1
C/C(=N\NC(=O)c1ccccc1-n1cccc1)c1cc(O)cc(O)c1 Oc1cc(O)cc(c1)[*:1] CC(=NNC(=O)c1ccccc1-n1cccc1)[*:1]
Nc1cccc(Cl)c1N1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 Nc1cccc(Cl)c1[*:1] O=C(/C=C/c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
Nc1cccc(Cl)c1N1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Nc1cccc(Cl)c1N1CCN(CC1)C(=O)C=C[*:1]
O=C(c1ccccc1I)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(c1ccccc1I)N1CCOC[C@@H]1[*:1]
C[C@H](NC(=O)NCc1ccc(F)cc1)[C@H](O)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)NC[*:1])[C@H](O)c1ccc(Cl)cc1
C[C@H](NC(=O)NCc1ccc(F)cc1)[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)NCc1ccc(F)cc1)[C@H](O)[*:1]
COc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(C)=O)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)NC(=O)/C(=C\c1cccc(c1)[*:1])NC(C)=O
COc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N/C(=C/c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
COc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)NC(=O)C(=Cc1cccc(c1)[N+](=O)[O-])[*:1]
[NH3+]CC[C@@H](C(=O)[O-])c1ccc(F)cc1 O=C([O-])[*:1] [NH3+]CC[C@@H](c1ccc(F)cc1)[*:1]
C[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2ncnc3nc[nH]c23)C1 NC(=O)[*:1] C[NH2+][C@@]1(CC[C@H](C1)Sc1ncnc2nc[nH]c12)[*:1]
O=C(c1c[nH]c2ccccc12)[C@@H](NCc1cccs1)c1ccccc1 c1csc(c1)[*:1] O=C(c1c[nH]c2ccccc12)[C@@H](NC[*:1])c1ccccc1
O=C(c1c[nH]c2ccccc12)[C@@H](NCc1cccs1)c1ccccc1 c1csc(c1)C[*:1] O=C(c1c[nH]c2ccccc12)[C@@H](N[*:1])c1ccccc1
O=C(c1c[nH]c2ccccc12)[C@@H](NCc1cccs1)c1ccccc1 c1csc(c1)CN[*:1] O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[*:1]
O=C(c1c[nH]c2ccccc12)[C@@H](NCc1cccs1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1c[nH]c2ccccc12)[C@@H](NCc1cccs1)[*:1]
O=C(CCc1csc2nc(-c3ccccc3)cn12)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCc1csc2nc(cn12)-c1ccccc1)N[*:1]
O=C(CCc1csc2nc(-c3ccccc3)cn12)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(CCc1csc2nc(cn12)[*:1])Nc1ccc(Cl)cc1
C#CCCOc1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)cc1 C#CCCO[*:1] Cc1cnc(s1)C(C)(C)[NH2+]Cc1ccc(cc1)[*:1]
C#CCCOc1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)cc1 C#CCC[*:1] Cc1cnc(s1)C(C)(C)[NH2+]Cc1ccc(cc1)O[*:1]
C#CCCOc1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)cc1 Cc1cnc(s1)[*:1] C#CCCOc1ccc(cc1)C[NH2+]C(C)(C)[*:1]
C#CCCOc1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)cc1 C#CC[*:1] Cc1cnc(s1)C(C)(C)[NH2+]Cc1ccc(cc1)OC[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc[nH]n1 c1cc(n[nH]1)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)[*:1]
C[C@H](Cc1ccco1)NCc1cc(C(=O)[O-])cs1 c1coc(c1)[*:1] C[C@H](C[*:1])NCc1cc(cs1)C(=O)[O-]
C[C@H](Cc1ccco1)NCc1cc(C(=O)[O-])cs1 O=C([O-])[*:1] C[C@H](Cc1ccco1)NCc1cc(cs1)[*:1]
C[C@H](Cc1ccco1)NCc1cc(C(=O)[O-])cs1 c1coc(c1)C[*:1] C[C@H](NCc1cc(cs1)C(=O)[O-])[*:1]
ClCC/C=C/Cc1csc2ccccc12 ClCCC=C[*:1] c1ccc2c(csc2c1)C[*:1]
ClCC/C=C/Cc1csc2ccccc12 ClCC[*:1] C(=C[*:1])Cc1csc2ccccc12
COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)/C=C/c1ccccc1Cl COc1ccccc1[*:1] O=C(/C=C/c1ccccc1Cl)n1nc(nc1NC[*:1])-c1cccnc1
COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)/C=C/c1ccccc1Cl COc1ccccc1C[*:1] O=C(/C=C/c1ccccc1Cl)n1nc(nc1N[*:1])-c1cccnc1
COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)/C=C/c1ccccc1Cl Clc1ccccc1[*:1] COc1ccccc1CNc1nc(nn1C(=O)C=C[*:1])-c1cccnc1
COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)/C=C/c1ccccc1Cl COc1ccccc1CN[*:1] O=C(/C=C/c1ccccc1Cl)n1nc(nc1[*:1])-c1cccnc1
COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)/C=C/c1ccccc1Cl Clc1ccccc1C=C[*:1] COc1ccccc1CNc1nc(nn1C(=O)[*:1])-c1cccnc1
COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)/C=C/c1ccccc1Cl c1cncc(c1)[*:1] COc1ccccc1CNc1nc(nn1C(=O)/C=C/c1ccccc1Cl)[*:1]
Cc1nccn1-c1cncc(N2CCN(c3cc[nH+]cc3Cl)CC2)n1 Cc1nccn1[*:1] Clc1c[nH+]ccc1N1CCN(CC1)c1cncc(n1)[*:1]
Cc1cnccc1CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnccc1CCN[C@H](C)c1ccc(C)c(c1)[*:1]
Cc1cnccc1CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 Cc1cnccc1[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@@H](C)NCC[*:1]
Cc1cccc(N2CCN(C(=O)CCC3CCCC3)CC2)c1C C1CCC(C1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)CC[*:1]
Cc1cccc(N2CCN(C(=O)CCC3CCCC3)CC2)c1C C1CCC(C1)CC[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(N2CCN(C(=O)CCC3CCCC3)CC2)c1C C1CCC(C1)C[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)C[*:1]
C[NH+](C)Cc1cccc(CNC(=O)C2(C#N)CCCC2)c1 N#CC1(CCCC1)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)[*:1]
O=C1CCc2cc(C(=O)N(CCC(F)(F)F)C3CCCCC3)ccc2N1 FC(F)(F)C[*:1] O=C1CCc2cc(ccc2N1)C(=O)N(C[*:1])C1CCCCC1
O=C1CCc2cc(C(=O)N(CCC(F)(F)F)C3CCCCC3)ccc2N1 C1CCC(CC1)[*:1] O=C1CCc2cc(ccc2N1)C(=O)N(CCC(F)(F)F)[*:1]
O=C1CCc2cc(C(=O)N(CCC(F)(F)F)C3CCCCC3)ccc2N1 FC(F)(F)CC[*:1] O=C1CCc2cc(ccc2N1)C(=O)N(C1CCCCC1)[*:1]
O=C1CCc2cc(C(=O)N(CCC(F)(F)F)C3CCCCC3)ccc2N1 FC(F)(F)[*:1] O=C1CCc2cc(ccc2N1)C(=O)N(CC[*:1])C1CCCCC1
COc1cc(/C=C2\SC(=N)N(c3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O COc1cc(ccc1O)[*:1] N=C1SC(=C[*:1])C(=O)N1c1ccc(cc1)S(N)(=O)=O
COc1cc(/C=C2\SC(=N)N(c3ccc(S(N)(=O)=O)cc3)C2=O)ccc1O NS(=O)(=O)[*:1] COc1cc(/C=C2\SC(=N)N(C2=O)c2ccc(cc2)[*:1])ccc1O
CCC[NH2+][C@H](CC)[C@@H]1CCCS(=O)(=O)C1 CCC[*:1] CC[C@@H]([NH2+][*:1])[C@@H]1CCCS(=O)(=O)C1
Cc1ccc(NC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)c(F)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)N[C@H](C)c2nc(C[*:1])no2)c(F)c1
Cc1ccc(NC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)c(F)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)N[C@H](C)c2nc(no2)[*:1])c(F)c1
Cc1ccc(NC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)c(F)c1 Cc1ccc(c(F)c1)[*:1] C[C@@H](NC(=O)N[*:1])c1nc(Cc2ccccc2)no1
C/C(=N/Nc1nc(SCc2ccccn2)n[nH]1)c1cccnc1 c1ccc(C[*:1])nc1 C/C(=N/Nc1nc(n[nH]1)S[*:1])c1cccnc1
C/C(=N/Nc1nc(SCc2ccccn2)n[nH]1)c1cccnc1 c1ccc(nc1)[*:1] C/C(=N/Nc1nc(n[nH]1)SC[*:1])c1cccnc1
C/C(=N/Nc1nc(SCc2ccccn2)n[nH]1)c1cccnc1 c1cncc(c1)[*:1] CC(=NNc1nc(n[nH]1)SCc1ccccn1)[*:1]
Cc1ccc(-c2cc(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)no2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](CNC(=O)c1cc(on1)[*:1])N1CC[NH+](C)CC1
O=C(Nc1nc2c(F)cccc2s1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1nc2c(F)cccc2s1)c1ccccc1[*:1]
CCOCC[C@H]1CCC[C@]1(O)C[NH3+] CCOC[*:1] [NH3+]C[C@@]1(O)CCC[C@@H]1C[*:1]
CCOCC[C@H]1CCC[C@]1(O)C[NH3+] CCO[*:1] [NH3+]C[C@@]1(O)CCC[C@@H]1CC[*:1]
COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1OC O=C(N1CCCC1)[*:1] COc1cccc(C(=O)Nc2ccccc2[*:1])c1OC
COCCc1nc(C)c([C@@H](C)OC(=O)c2cccc(F)c2F)s1 COCC[*:1] Cc1nc(sc1[C@@H](C)OC(=O)c1cccc(F)c1F)[*:1]
COCCc1nc(C)c([C@@H](C)OC(=O)c2cccc(F)c2F)s1 COC[*:1] Cc1nc(C[*:1])sc1[C@@H](C)OC(=O)c1cccc(F)c1F
COC(=O)/C=C/C[C@@](C#N)(c1ccccc1)c1ccccc1C#N N#Cc1ccccc1[*:1] COC(=O)/C=C/C[C@@](C#N)(c1ccccc1)[*:1]
COC(=O)/C=C/C[C@@](C#N)(c1ccccc1)c1ccccc1C#N COC(=O)[*:1] N#Cc1ccccc1[C@@](C#N)(CC=C[*:1])c1ccccc1
COC(=O)/C=C/C[C@@](C#N)(c1ccccc1)c1ccccc1C#N COC(=O)C=C[*:1] N#Cc1ccccc1[C@@](C#N)(C[*:1])c1ccccc1
COC(=O)/C=C/C[C@@](C#N)(c1ccccc1)c1ccccc1C#N COC(=O)/C=C/C[*:1] N#Cc1ccccc1[C@@](C#N)(c1ccccc1)[*:1]
COC(=O)/C=C/C[C@@](C#N)(c1ccccc1)c1ccccc1C#N c1ccc(cc1)[*:1] COC(=O)/C=C/C[C@@](C#N)(c1ccccc1C#N)[*:1]
COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NC3CCN(C(C)=O)CC3)cc12 COC[*:1] COC(=O)c1c(NC(=O)[*:1])c2cc(cnc2n1C)NC1CCN(CC1)C(C)=O
COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NC3CCN(C(C)=O)CC3)cc12 CC(=O)N1CCC(CC1)[*:1] COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(cc12)N[*:1]
COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NC3CCN(C(C)=O)CC3)cc12 COCC(=O)N[*:1] COC(=O)c1c(c2cc(cnc2n1C)NC1CCN(CC1)C(C)=O)[*:1]
COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NC3CCN(C(C)=O)CC3)cc12 CC(=O)N1CCC(CC1)N[*:1] COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(cc12)[*:1]
COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NC3CCN(C(C)=O)CC3)cc12 COC(=O)[*:1] COCC(=O)Nc1c(n(C)c2ncc(cc12)NC1CCN(CC1)C(C)=O)[*:1]
CCCn1ncc(C(=O)NCc2cc(F)c(F)cc2F)c1C CCC[*:1] Cc1c(cnn1[*:1])C(=O)NCc1cc(F)c(F)cc1F
CN(CC1CCCC1)C(=O)C(=O)Nc1ccc2ccn(C)c2c1 C1CCC(C1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2ccn(C)c2c1
CN(CC1CCCC1)C(=O)C(=O)Nc1ccc2ccn(C)c2c1 C1CCC(C1)C[*:1] CN(C(=O)C(=O)Nc1ccc2ccn(C)c2c1)[*:1]
CCOc1cccc(CC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 CCO[*:1] O=C(Cc1cccc(c1)[*:1])NCC1CCN(CC1)c1cc[nH+]cc1
Cc1cc(NC(=O)NNc2ccccc2F)ccc1-n1cnnn1 Fc1ccccc1[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)NN[*:1]
Cc1cc(NC(=O)NNc2ccccc2F)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])NC(=O)NNc1ccccc1F
CC(=O)CC(=O)N[C@H](CO)C(C)C CC(C)[*:1] CC(=O)CC(=O)N[C@H](CO)[*:1]
CC(=O)CC(=O)N[C@H](CO)C(C)C CC(=O)[*:1] CC(C)[C@@H](CO)NC(=O)C[*:1]
CC(=O)CC(=O)N[C@H](CO)C(C)C CC(=O)C[*:1] CC(C)[C@@H](CO)NC(=O)[*:1]
Cc1cccc(C[C@@H]([NH2+]C[C@H]2CCCS2(=O)=O)C2CC2)c1 Cc1cccc(c1)[*:1] O=S1(=O)CCC[C@@H]1C[NH2+][C@H](C[*:1])C1CC1
Cc1cccc(C[C@@H]([NH2+]C[C@H]2CCCS2(=O)=O)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)[*:1]
N#Cc1ncn(CC(=O)NN=C(c2ccccc2)c2ccccc2)n1 N#Cc1ncn(C[*:1])n1 O=C(NN=C(c1ccccc1)c1ccccc1)[*:1]
N#Cc1ncn(CC(=O)NN=C(c2ccccc2)c2ccccc2)n1 N#Cc1ncn(n1)[*:1] O=C(C[*:1])NN=C(c1ccccc1)c1ccccc1
N#Cc1ncn(CC(=O)NN=C(c2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] N#Cc1ncn(CC(=O)NN=C(c2ccccc2)[*:1])n1
Cc1cccc(O[C@H]2CC[C@@]([NH2+]C(C)C)(C(=O)[O-])C2)c1 CC(C)[*:1] Cc1cccc(c1)O[C@H]1CC[C@@](C1)([NH2+][*:1])C(=O)[O-]
Cc1cccc(O[C@H]2CC[C@@]([NH2+]C(C)C)(C(=O)[O-])C2)c1 O=C([O-])[*:1] Cc1cccc(c1)O[C@H]1CC[C@](C1)([NH2+]C(C)C)[*:1]
CCCCNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1Cl CCCC[*:1] COC(=O)c1ccc(Cl)c(c1)NC(=O)C(=O)N[*:1]
CCCCNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1Cl CCC[*:1] COC(=O)c1ccc(Cl)c(c1)NC(=O)C(=O)NC[*:1]
CCCCNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1Cl COC(=O)[*:1] CCCCNC(=O)C(=O)Nc1cc(ccc1Cl)[*:1]
CCOCC[NH2+][C@@H](C)c1cnc(C)s1 CCOC[*:1] Cc1ncc(s1)[C@H](C)[NH2+]C[*:1]
CCOCC[NH2+][C@@H](C)c1cnc(C)s1 CCO[*:1] Cc1ncc(s1)[C@H](C)[NH2+]CC[*:1]
NC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)nn1 O=C([O-])[*:1] NC(=O)c1ccc(nn1)Nc1ccc(c(Cl)c1)[*:1]
NC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)nn1 NC(=O)[*:1] O=C([O-])c1ccc(cc1Cl)Nc1ccc(nn1)[*:1]
C[C@H](NC(=O)c1ccccc1-n1cnnn1)C(=O)N1CCCC[C@H]1C c1nnnn1[*:1] C[C@H](NC(=O)c1ccccc1[*:1])C(=O)N1CCCC[C@H]1C
O=C(Cl)c1cccc(-c2nc3ccccc3s2)c1 O=C(Cl)[*:1] c1cc(cc(c1)[*:1])-c1nc2ccccc2s1
CCOC(=O)c1cccc(NC(=O)N[C@@H](C)CSC)c1 CSC[*:1] CCOC(=O)c1cccc(c1)NC(=O)N[C@@H](C)[*:1]
CCOC(=O)c1cccc(NC(=O)N[C@@H](C)CSC)c1 CCOC(=O)[*:1] CSC[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
O=C(Nc1ccccc1N1CCCC1=O)[C@@H]1CC=CCC1 O=C1CCCN1[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CC=CCC1
COc1ccccc1-c1cnc(CNc2cc(CO)ccc2Cl)o1 COc1ccccc1[*:1] OCc1ccc(Cl)c(c1)NCc1ncc(o1)[*:1]
C[C@H](C(=O)N1CCC[C@H](n2cccn2)C1)n1c(=O)oc2ccccc21 c1cnn(c1)[*:1] C[C@H](C(=O)N1CCC[C@H](C1)[*:1])n1c(=O)oc2ccccc21
O=c1ccc([N+](=O)[O-])cn1C[C@H](O)CO[C@H]1CCCc2ccccc21 O=[N+]([O-])[*:1] O=c1ccc(cn1C[C@H](O)CO[C@H]1CCCc2ccccc21)[*:1]
Cn1cc[nH+]c1CN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)C1CC1 c1ccc(cc1)[*:1] Cn1cc[nH+]c1CN(C(=O)c1ccc([nH]c1=O)[*:1])C1CC1
Cn1cc[nH+]c1CN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)C1CC1 C1CC1[*:1] Cn1cc[nH+]c1CN(C(=O)c1ccc([nH]c1=O)-c1ccccc1)[*:1]
CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1Cl Clc1ccccc1[*:1] CCOC(=O)C[C@H]1C(=O)NCCN1C[*:1]
CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1Cl CCOC(=O)C[*:1] O=C1NCCN(Cc2ccccc2Cl)[C@H]1[*:1]
CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1Cl CCOC(=O)[*:1] O=C1NCCN(Cc2ccccc2Cl)[C@H]1C[*:1]
CCc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1
CCc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] C1CO[C@H](C1)[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)C(=O)N[C@H](C)[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C)c1nnc(SCC(=O)N[*:1])n1C
Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 Cc1ccc(cc1)C(=O)N[*:1] Cc1ccc(NC(=O)CSc2nnc([C@H](C)[*:1])n2C)c(C)c1
Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)[*:1])n2C)c(C)c1
O=C(Nc1cnn(-c2ccccc2F)c1)N1CCSCC1 Fc1ccccc1[*:1] O=C(Nc1cnn(c1)[*:1])N1CCSCC1
CC(=O)N1CCCN(C(=O)NCc2ccccc2C)CC1 Cc1ccccc1[*:1] CC(=O)N1CCCN(CC1)C(=O)NC[*:1]
CCC[C@H](NC(N)=O)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 CCC[*:1] NC(=O)N[C@H](C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
CCC[C@H](NC(N)=O)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] CCC[C@H](NC(N)=O)C(=O)N1CCN(CC1)c1ccc(cn1)[*:1]
CCC[C@H](NC(N)=O)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 NC(=O)N[*:1] CCC[C@H](C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
O=C(Nc1nnc(-c2ccno2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1nnc(o1)-c1ccno1)c1ccc(cc1)[*:1]
O=C(Nc1nnc(-c2ccno2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 c1cc(on1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
CC(=O)N(C)c1ccc(NC(=O)NCCn2cccc2)cc1 c1ccn(c1)CC[*:1] CC(=O)N(C)c1ccc(cc1)NC(=O)N[*:1]
CC(=O)N(C)c1ccc(NC(=O)NCCn2cccc2)cc1 c1ccn(c1)C[*:1] CC(=O)N(C)c1ccc(cc1)NC(=O)NC[*:1]
CC(=O)N(C)c1ccc(NC(=O)NCCn2cccc2)cc1 CC(=O)N(C)[*:1] O=C(NCCn1cccc1)Nc1ccc(cc1)[*:1]
CC(=O)N(C)c1ccc(NC(=O)NCCn2cccc2)cc1 c1ccn(c1)[*:1] CC(=O)N(C)c1ccc(cc1)NC(=O)NCC[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)O[C@@H](C)Cn1cccn1 c1cnn(c1)C[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)O[C@@H](C)[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)O[C@@H](C)Cn1cccn1 c1cnn(c1)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)O[C@@H](C)C[*:1]
CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1)[*:1]
CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1)C1CCCCC1 c1ccc(nc1)[*:1] CN(C(=O)C[C@@H]1C(=O)NCCN1C[*:1])C1CCCCC1
CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1)C1CCCCC1 c1ccc(C[*:1])nc1 CN(C(=O)C[C@@H]1C(=O)NCCN1[*:1])C1CCCCC1
C[C@@H](NC(=O)Cn1ccnc1)c1ccc(-n2cccn2)cc1 c1cn(cn1)C[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-n1cccn1
C[C@@H](NC(=O)Cn1ccnc1)c1ccc(-n2cccn2)cc1 c1cn(cn1)[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-n1cccn1
C[C@@H](NC(=O)Cn1ccnc1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@@H](NC(=O)Cn1ccnc1)c1ccc(cc1)[*:1]
Cc1n[nH]c(C)c1CCNC(=O)[C@@H]1COc2ccccc2C1 Cc1n[nH]c(C)c1[*:1] O=C(NCC[*:1])[C@@H]1COc2ccccc2C1
CC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccoc1C Cc1occc1[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)[*:1]
CC(C)(C)c1ccc(=O)n(C[NH+](CCC(F)(F)F)C2CCC2)n1 FC(F)(F)C[*:1] CC(C)(C)c1ccc(=O)n(C[NH+](C[*:1])C2CCC2)n1
CC(C)(C)c1ccc(=O)n(C[NH+](CCC(F)(F)F)C2CCC2)n1 C1CC(C1)[*:1] CC(C)(C)c1ccc(=O)n(C[NH+](CCC(F)(F)F)[*:1])n1
CC(C)(C)c1ccc(=O)n(C[NH+](CCC(F)(F)F)C2CCC2)n1 CC(C)(C)[*:1] O=c1ccc(nn1C[NH+](CCC(F)(F)F)C1CCC1)[*:1]
CC(C)(C)c1ccc(=O)n(C[NH+](CCC(F)(F)F)C2CCC2)n1 FC(F)(F)CC[*:1] CC(C)(C)c1ccc(=O)n(C[NH+](C2CCC2)[*:1])n1
CC(C)(C)c1ccc(=O)n(C[NH+](CCC(F)(F)F)C2CCC2)n1 FC(F)(F)[*:1] CC(C)(C)c1ccc(=O)n(C[NH+](CC[*:1])C2CCC2)n1
C[C@H](CNC(=O)[C@H](C)N1CCO[C@H](c2ccccc2F)C1)c1ccccc1 C[C@H](C[*:1])c1ccccc1 C[C@@H](C(=O)N[*:1])N1CCO[C@@H](C1)c1ccccc1F
C[C@H](CNC(=O)[C@H](C)N1CCO[C@H](c2ccccc2F)C1)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](C(=O)NC[*:1])N1CCO[C@@H](C1)c1ccccc1F
C[C@H](CNC(=O)[C@H](C)N1CCO[C@H](c2ccccc2F)C1)c1ccccc1 Fc1ccccc1[*:1] C[C@H](CNC(=O)[C@H](C)N1CCO[C@H](C1)[*:1])c1ccccc1
C[C@H](CNC(=O)[C@H](C)N1CCO[C@H](c2ccccc2F)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC[C@@H](C)[*:1])N1CCO[C@@H](C1)c1ccccc1F
CO[C@H](C[NH2+][C@H](C)CC(F)(F)F)c1ccccc1Cl FC(F)(F)[*:1] CO[C@H](C[NH2+][C@H](C)C[*:1])c1ccccc1Cl
CO[C@H](C[NH2+][C@H](C)CC(F)(F)F)c1ccccc1Cl FC(F)(F)C[*:1] CO[C@H](C[NH2+][C@H](C)[*:1])c1ccccc1Cl
CCOC(=O)N1CCN([C@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 Cc1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)[C@H](C)C(=O)Nc1nc(cs1)[*:1]
N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O[C@@H](CO[*:1])C[NH+]1CCN(CC1)c1ccc(F)cc1
N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(cc1)OC[C@H](O)C[NH+]1CCN(CC1)[*:1]
Cc1ccc(NCC(=O)NNC(=O)c2cc(C3CC3)[nH]n2)cc1 Cc1ccc(cc1)[*:1] O=C(CN[*:1])NNC(=O)c1cc([nH]n1)C1CC1
Cc1ccc(NCC(=O)NNC(=O)c2cc(C3CC3)[nH]n2)cc1 C1CC1[*:1] Cc1ccc(cc1)NCC(=O)NNC(=O)c1cc([nH]n1)[*:1]
O=C(Cn1ccccc1=O)NCCCc1nnc2n1CCCCC2 O=c1ccccn1[*:1] O=C(C[*:1])NCCCc1nnc2CCCCCn21
O=C(Cn1ccccc1=O)NCCCc1nnc2n1CCCCC2 O=c1ccccn1C[*:1] O=C(NCCCc1nnc2CCCCCn21)[*:1]
O=C(Nc1cccnc1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 c1cncc(c1)[*:1] O=C(N[*:1])[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1
COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)cn1C COC(=O)[*:1] COc1ccc(NS(=O)(=O)c2cc(n(C)c2)[*:1])c(c1)OC
CCc1nn(C)cc1CNC(=O)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] CCc1nn(C)cc1CNC(=O)N[C@@H](CO)[*:1]
O=C1c2ccccc2C(=O)N1Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1Cc1coc(n1)[*:1]
CCCNC(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCCNC(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CC[*:1]
CCCNC(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] CCCNC(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2C[*:1]
CCCNC(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 CCC[*:1] O=C(N[*:1])N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1
C[C@@H]([NH2+]Cc1ccc(C(N)=O)o1)c1nc2ccccc2n1C NC(=O)[*:1] C[C@@H]([NH2+]Cc1ccc(o1)[*:1])c1nc2ccccc2n1C
Cc1ccc(C)c(NC(=O)OC2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1ccc(C)c(c1)NC(=O)O[*:1]
Cc1csc(Sc2ccc(NC(=O)N3CCCC3)cc2)n1 Cc1csc(n1)[*:1] O=C(Nc1ccc(cc1)S[*:1])N1CCCC1
Cc1csc(Sc2ccc(NC(=O)N3CCCC3)cc2)n1 Cc1csc(n1)S[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCCC1
CCc1cc(CN/C(N[C@@H]2CCCN(C(=O)OC)C2)=[NH+]\C)on1 CCc1cc(on1)[*:1] C/[NH+]=C(\NC[*:1])N[C@@H]1CCCN(C1)C(=O)OC
CCCN1C(=O)N=C(N)[C@H]1c1ccc(O)c(OC)c1 CCC[*:1] COc1cc(ccc1O)[C@@H]1C(N)=NC(=O)N1[*:1]
NS(=O)(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 NS(=O)(=O)N[*:1] c1cc2CCC[C@H]3C[C@H](c(c1)c23)[*:1]
CC(C)(C#N)/[N+]([O-])=C/C=[N+](/[O-])C(C)(C)C#N CC(C)(C#N)[*:1] CC(C)(C#N)/[N+]([O-])=C\C=[N+](/[O-])[*:1]
C[C@H](OC(=O)[C@@H](C)OCC1CC1)c1cccc(C#N)c1 C1CC1[*:1] C[C@H](OC(=O)[C@@H](C)OC[*:1])c1cccc(C#N)c1
C[C@H](OC(=O)[C@@H](C)OCC1CC1)c1cccc(C#N)c1 C1CC1C[*:1] C[C@H](OC(=O)[C@@H](C)O[*:1])c1cccc(C#N)c1
C[C@H](OC(=O)[C@@H](C)OCC1CC1)c1cccc(C#N)c1 C1CC1CO[*:1] C[C@H](OC(=O)[C@@H](C)[*:1])c1cccc(C#N)c1
CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)on1 CC(C)(C)[*:1] O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cc(no1)[*:1]
CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)on1 c1csc(c1)[*:1] CC(C)(C)c1cc(NC(=O)CSc2nnc(n2C2CC2)[*:1])on1
CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)on1 CC(C)(C)c1cc(on1)[*:1] O=C(CSc1nnc(-c2cccs2)n1C1CC1)N[*:1]
CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)on1 C1CC1[*:1] CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3cccs3)n2[*:1])on1
COc1ccc2oc(C(=O)N[C@H](C)CCc3ccccc3)c(C)c2c1 c1ccc(cc1)[*:1] COc1ccc2oc(C(=O)N[C@H](C)CC[*:1])c(C)c2c1
COc1ccc2oc(C(=O)N[C@H](C)CCc3ccccc3)c(C)c2c1 c1ccc(cc1)C[*:1] COc1ccc2oc(C(=O)N[C@H](C)C[*:1])c(C)c2c1
COc1ccc2oc(C(=O)N[C@H](C)CCc3ccccc3)c(C)c2c1 c1ccc(cc1)CC[*:1] COc1ccc2oc(C(=O)N[C@H](C)[*:1])c(C)c2c1
Cn1ccc2cc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)ccc21 FC(F)(F)[*:1] Cn1ccc2cc(ccc21)C(=O)N1CCn2c(C1)nnc2[*:1]
CCc1cc(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)on1 CCc1cc(C[*:1])on1 O=C1CC[C@]2(Sc3ccccc3N12)C(=O)N[*:1]
CCc1cc(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)on1 CCc1cc(on1)[*:1] O=C1CC[C@]2(Sc3ccccc3N12)C(=O)NC[*:1]
Cc1cc(C)c(/C=C/C(=O)NNC(=O)[C@@H]2CCCO2)cc1C C1CO[C@@H](C1)[*:1] Cc1cc(C)c(/C=C/C(=O)NNC(=O)[*:1])cc1C
CCCCCCC(=O)N[C@@H](C)C(=O)[O-] CCC[*:1] C[C@H](NC(=O)CCC[*:1])C(=O)[O-]
CCCCCCC(=O)N[C@@H](C)C(=O)[O-] O=C([O-])[*:1] CCCCCCC(=O)N[C@@H](C)[*:1]
CCCCCCC(=O)N[C@@H](C)C(=O)[O-] CCCC[*:1] C[C@H](NC(=O)CC[*:1])C(=O)[O-]
CC(C)(CNC(=O)C(=O)Nc1nnc(-c2ccsc2)s1)c1ccccc1 c1cc(cs1)[*:1] CC(C)(CNC(=O)C(=O)Nc1nnc(s1)[*:1])c1ccccc1
CC(C)(CNC(=O)C(=O)Nc1nnc(-c2ccsc2)s1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)C(=O)Nc1nnc(s1)-c1ccsc1)[*:1]
O=C1N=C(S)N(C2CC2)C(=O)C1/C=N/CCc1ccccc1 c1ccc(cc1)[*:1] O=C1N=C(S)N(C(=O)C1/C=N/CC[*:1])C1CC1
O=C1N=C(S)N(C2CC2)C(=O)C1/C=N/CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1N=C(S)N(C(=O)C1/C=N/C[*:1])C1CC1
O=C1N=C(S)N(C2CC2)C(=O)C1/C=N/CCc1ccccc1 C1CC1[*:1] O=C1N=C(S)N(C(=O)C1/C=N/CCc1ccccc1)[*:1]
CC(C)NC(=O)CN1CCN(Cc2ncc(Cl)n2C)CC1 CC(C)[*:1] Cn1c(Cl)cnc1CN1CCN(CC1)CC(=O)N[*:1]
CC(C)NC(=O)CN1CCN(Cc2ncc(Cl)n2C)CC1 CC(C)NC(=O)[*:1] Cn1c(Cl)cnc1CN1CCN(CC1)C[*:1]
CC(C)NC(=O)CN1CCN(Cc2ncc(Cl)n2C)CC1 CC(C)NC(=O)C[*:1] Cn1c(Cl)cnc1CN1CCN(CC1)[*:1]
CC(C)NC(=O)CN1CCN(Cc2ncc(Cl)n2C)CC1 Cn1c(Cl)cnc1[*:1] CC(C)NC(=O)CN1CCN(CC1)C[*:1]
CC(C)(C)C(=O)Nc1ccc(C=O)nc1Cl CC(C)(C)[*:1] O=Cc1ccc(NC(=O)[*:1])c(Cl)n1
C[NH+](C)Cc1cccc(CNC(=O)c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)[*:1]
CCc1[nH]c(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c(C)c1C(=O)OC Cc1cccc(C)c1[*:1] CCc1[nH]c(C(=O)N(C)CC(=O)N[*:1])c(C)c1C(=O)OC
CCc1[nH]c(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c(C)c1C(=O)OC COC(=O)[*:1] CCc1[nH]c(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c(C)c1[*:1]
C[C@@H](C(=O)OC[C@@H](C#N)Cc1cccs1)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)OC[C@@H](C#N)C[*:1])c1cccs1
C[C@@H](C(=O)OC[C@@H](C#N)Cc1cccs1)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)OC[C@@H](C#N)Cc1cccs1)[*:1]
C[C@@H](C(=O)OC[C@@H](C#N)Cc1cccs1)c1cccs1 c1csc(c1)C[*:1] C[C@@H](C(=O)OC[C@@H](C#N)[*:1])c1cccs1
CCN(Cc1ccccn1)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)Nc1ccc(cc1)NC(=O)C(C)C
CCN(Cc1ccccn1)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] CCN(Cc1ccccn1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCN(Cc1ccccn1)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 c1ccc(C[*:1])nc1 CCN(C(=O)Nc1ccc(cc1)NC(=O)C(C)C)[*:1]
CCN(Cc1ccccn1)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] CCN(Cc1ccccn1)C(=O)Nc1ccc(cc1)[*:1]
CC1=C(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)[C@@H](C)ON1 c1ccc2c(c[nH]c2c1)[*:1] CC1NO[C@H](C)C=1C(=O)NC[C@H](c1ccccc1Cl)[*:1]
CC1=C(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)[C@@H](C)ON1 Clc1ccccc1[*:1] CC1NO[C@H](C)C=1C(=O)NC[C@H](c1c[nH]c2ccccc12)[*:1]
CCN(C(=O)/C=C/C1CC1)c1cccc(F)c1 C1CC1[*:1] CCN(C(=O)C=C[*:1])c1cccc(F)c1
CCN(C(=O)/C=C/C1CC1)c1cccc(F)c1 C(=C[*:1])C1CC1 CCN(C(=O)[*:1])c1cccc(F)c1
CC[C@@H](C)[C@H]1CN(CCSc2ccccc2)[C@H](C)C[NH2+]1 CC[C@@H](C)[*:1] C[C@@H]1C[NH2+][C@H](CN1CCSc1ccccc1)[*:1]
CC[C@@H](C)[C@H]1CN(CCSc2ccccc2)[C@H](C)C[NH2+]1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@H]1CN(CCS[*:1])[C@H](C)C[NH2+]1
C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccccc1Br C1CC1[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1Br
CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 CCS[*:1] O=C(Nc1ccc(nc1)N1CCCC1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(nc1)[*:1]
C[C@@H](SC1=NC=NC2=NC=N[C@@H]21)C(=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@@H](SC1=NC=NC2=NC=N[C@@H]21)C(=O)NC[*:1]
C[C@@H](SC1=NC=NC2=NC=N[C@@H]21)C(=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](SC1=NC=NC2=NC=N[C@@H]21)C(=O)NCC[*:1]
Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ccc(cc1[*:1])[N-]S(=O)(=O)c1cccc(Cl)c1F
C[C@H](CCOc1ccccc1)C(=O)NNc1ccc(F)cc1F c1ccc(cc1)[*:1] C[C@H](CCO[*:1])C(=O)NNc1ccc(F)cc1F
C[C@H](CCOc1ccccc1)C(=O)NNc1ccc(F)cc1F c1ccc(cc1)O[*:1] C[C@H](CC[*:1])C(=O)NNc1ccc(F)cc1F
CCn1cc(C(=O)OCC(=O)N(C)[C@@H]2CCCc3ccccc32)cn1 CCn1cc(cn1)[*:1] CN(C(=O)COC(=O)[*:1])[C@@H]1CCCc2ccccc21
COc1ccc2ccc(OCc3nc(C(=O)N(C)[C@H](C)c4cccnc4)co3)cc2c1 c1cncc(c1)[*:1] COc1ccc2ccc(cc2c1)OCc1nc(co1)C(=O)N(C)[C@H](C)[*:1]
Cc1ccc(NC(=O)C(=O)NCC[C@H](O)C(C)C)cc1Cl CC(C)[C@@H](O)C[*:1] Cc1ccc(cc1Cl)NC(=O)C(=O)NC[*:1]
Cc1ccc(NC(=O)C(=O)NCC[C@H](O)C(C)C)cc1Cl CC(C)[*:1] Cc1ccc(cc1Cl)NC(=O)C(=O)NCC[C@H](O)[*:1]
Cc1ccc(NC(=O)C(=O)NCC[C@H](O)C(C)C)cc1Cl CC(C)[C@@H](O)CC[*:1] Cc1ccc(cc1Cl)NC(=O)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCC[C@H](O)C(C)C)cc1Cl CC(C)[C@@H](O)[*:1] Cc1ccc(cc1Cl)NC(=O)C(=O)NCC[*:1]
CC(C)[C@H](CCO)NC(=O)Nc1cnc(-c2ccccc2)s1 CC(C)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)N[C@@H](CCO)[*:1]
CC(C)[C@H](CCO)NC(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)[C@H](CCO)NC(=O)Nc1cnc(s1)[*:1]
CC(C)[C@H](CCO)NC(=O)Nc1cnc(-c2ccccc2)s1 OCC[*:1] CC(C)[C@H](NC(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
Cc1nsc(N)c1-c1nc2cnccc2n1C1CC1 C1CC1[*:1] Cc1nsc(N)c1-c1nc2cnccc2n1[*:1]
COc1ccc([C@H](NC(=O)Nc2cccc(F)c2C)C2CCOCC2)cc1 Cc1c(F)cccc1[*:1] COc1ccc(cc1)[C@H](NC(=O)N[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)Nc2cccc(F)c2C)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)N[C@H](C1CCOCC1)[*:1]
COc1ccc([C@H](NC(=O)Nc2cccc(F)c2C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)Nc1cccc(F)c1C)[*:1]
CC1CCC(Oc2cc(CNC(=O)CCS(C)(=O)=O)ccn2)CC1 CC1CCC(CC1)O[*:1] CS(=O)(=O)CCC(=O)NCc1ccnc(c1)[*:1]
CC1CCC(Oc2cc(CNC(=O)CCS(C)(=O)=O)ccn2)CC1 CS(=O)(=O)CC[*:1] CC1CCC(CC1)Oc1cc(ccn1)CNC(=O)[*:1]
CC1CCC(Oc2cc(CNC(=O)CCS(C)(=O)=O)ccn2)CC1 CS(=O)(=O)[*:1] CC1CCC(CC1)Oc1cc(ccn1)CNC(=O)CC[*:1]
CC1CCC(Oc2cc(CNC(=O)CCS(C)(=O)=O)ccn2)CC1 CS(=O)(=O)C[*:1] CC1CCC(CC1)Oc1cc(ccn1)CNC(=O)C[*:1]
CC1CCC(Oc2cc(CNC(=O)CCS(C)(=O)=O)ccn2)CC1 CC1CCC(CC1)[*:1] CS(=O)(=O)CCC(=O)NCc1ccnc(c1)O[*:1]
O=C(C1CCCC1)N1CCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 C1CCC(C1)[*:1] O=C(N1CCc2ccc(cc21)NS(=O)(=O)CCc1ccccc1)[*:1]
O=C(C1CCCC1)N1CCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 c1ccc(cc1)[*:1] O=C(C1CCCC1)N1CCc2ccc(cc21)NS(=O)(=O)CC[*:1]
O=C(C1CCCC1)N1CCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 c1ccc(cc1)C[*:1] O=C(C1CCCC1)N1CCc2ccc(cc21)NS(=O)(=O)C[*:1]
O=C(C1CCCC1)N1CCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 c1ccc(cc1)CC[*:1] O=C(C1CCCC1)N1CCc2ccc(cc21)NS(=O)(=O)[*:1]
CCC(CC)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] O=C([O-])[*:1] CCC(CC)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[*:1]
CCC(CC)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] O=[N+]([O-])[*:1] CCC(CC)([NH2+]Cc1ccc(Cl)cc1[*:1])C(=O)[O-]
CCN(C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H](C)CS(=O)(=O)CC CC(C)(C)[*:1] CCN(C(=O)[C@@H]1CCCN(C1)C(=O)[*:1])[C@@H](C)CS(=O)(=O)CC
CCN(C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H](C)CS(=O)(=O)CC CCS(=O)(=O)[*:1] CCN(C(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)C)[C@@H](C)C[*:1]
CCN(C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H](C)CS(=O)(=O)CC CCS(=O)(=O)C[C@H](C)[*:1] CCN(C(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)C)[*:1]
CCN(C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H](C)CS(=O)(=O)CC CCS(=O)(=O)C[*:1] CCN(C(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)C)[C@@H](C)[*:1]
Cc1cccc(NC(=O)CSCC(=O)N[C@@H](C)c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CSCC(=O)N[C@@H](C)[*:1]
Cc1cccc(NC(=O)CSCC(=O)N[C@@H](C)c2ccc(Br)cc2)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)CSCC(=O)N[*:1])c1ccc(Br)cc1
COc1ccc2nc(N(Cc3ccco3)C(=O)c3cccc(F)c3)sc2c1 c1coc(c1)C[*:1] COc1ccc2nc(sc2c1)N(C(=O)c1cccc(F)c1)[*:1]
COc1ccc2nc(N(Cc3ccco3)C(=O)c3cccc(F)c3)sc2c1 c1coc(c1)[*:1] COc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1cccc(F)c1
COc1ccc2nc(N(Cc3ccco3)C(=O)c3cccc(F)c3)sc2c1 Fc1cccc(c1)[*:1] COc1ccc2nc(sc2c1)N(Cc1ccco1)C(=O)[*:1]
Cc1cc(C)cc(C(=O)NCC(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CC1)C(=O)CNC(=O)[*:1]
Cc1cc(C)cc(C(=O)NCC(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)c1 Fc1cccc(c1)[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
Cc1cc(C)cc(C(=O)NCC(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)c1 O=C(Nc1cccc(F)c1)[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)N1CCN(CC1)[C@@H](C)[*:1]
O=C1CCC(=O)N1CCN1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 O=C1CCC(=O)N1[*:1] O=[N+]([O-])c1ccc(C[NH+]2CCN(CC2)CC[*:1])o1
O=C1CCC(=O)N1CCN1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 O=[N+]([O-])c1ccc(o1)[*:1] O=C1CCC(=O)N1CCN1CC[NH+](CC1)C[*:1]
O=C1CCC(=O)N1CCN1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 O=C1CCC(=O)N1C[*:1] O=[N+]([O-])c1ccc(C[NH+]2CCN(CC2)C[*:1])o1
O=C1CCC(=O)N1CCN1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 O=[N+]([O-])[*:1] O=C1CCC(=O)N1CCN1CC[NH+](CC1)Cc1ccc(o1)[*:1]
NC(=O)CN(C1CCCC1)S(=O)(=O)c1cnc(Cl)c(Cl)c1 C1CCC(C1)[*:1] NC(=O)CN(S(=O)(=O)c1cnc(Cl)c(Cl)c1)[*:1]
NC(=O)CN(C1CCCC1)S(=O)(=O)c1cnc(Cl)c(Cl)c1 NC(=O)C[*:1] O=S(=O)(c1cnc(Cl)c(Cl)c1)N(C1CCCC1)[*:1]
NC(=O)CN(C1CCCC1)S(=O)(=O)c1cnc(Cl)c(Cl)c1 NC(=O)[*:1] O=S(=O)(c1cnc(Cl)c(Cl)c1)N(C[*:1])C1CCCC1
CC(C)(C)CC(=O)NCC(=O)N1CC=C(c2ccccc2Cl)CC1 CC(C)(C)[*:1] O=C(C[*:1])NCC(=O)N1CC=C(CC1)c1ccccc1Cl
CC(C)(C)CC(=O)NCC(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC(C)(C)CC(=O)NCC(=O)N1CC=C(CC1)[*:1]
CC(C)(C)CC(=O)NCC(=O)N1CC=C(c2ccccc2Cl)CC1 CC(C)(C)CC(=O)N[*:1] O=C(C[*:1])N1CC=C(CC1)c1ccccc1Cl
CC(C)(C)CC(=O)NCC(=O)N1CC=C(c2ccccc2Cl)CC1 CC(C)(C)C[*:1] O=C(CNC(=O)[*:1])N1CC=C(CC1)c1ccccc1Cl
CC[C@@](C)(CCO)NC(=O)N[C@@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[C@@](C)(CCO)NC(=O)N[C@@H](C)[*:1]
CC[C@@](C)(CCO)NC(=O)N[C@@H](C)c1ccc(Cl)s1 OCC[*:1] CC[C@@](C)(NC(=O)N[C@@H](C)c1ccc(Cl)s1)[*:1]
COc1cc2c(cc1OC)[C@@H]1c3ccccc3[C@](C#N)(C2)N(C(=O)c2ccccc2)[C@@H]1O c1ccc(cc1)[*:1] COc1cc2C[C@@]3(C#N)c4ccccc4[C@@H](c2cc1OC)[C@@H](O)N3C(=O)[*:1]
CC(C)Cc1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1CCCC2 O=C(N1CCCCC1)[*:1] CC(C)Cc1nc(OC[*:1])c(C#N)c2CCCCc12
CC(C)Cc1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1CCCC2 CC(C)C[*:1] N#Cc1c(nc(c2CCCCc12)[*:1])OCC(=O)N1CCCCC1
CC(C)Cc1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1CCCC2 CC(C)[*:1] N#Cc1c(nc(C[*:1])c2CCCCc12)OCC(=O)N1CCCCC1
Nc1ccc(-c2cc(O)ccc2Cl)c(C(=O)[O-])n1 O=C([O-])[*:1] Nc1ccc(-c2cc(O)ccc2Cl)c(n1)[*:1]
O=C(NCc1nnc2n1CCCCC2)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(NCc1nnc2CCCCCn21)N[*:1]
CNC(=O)Cc1ccc(NC(=O)/C=C/C2CC2)cc1 CNC(=O)C[*:1] O=C(/C=C/C1CC1)Nc1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC(=O)/C=C/C2CC2)cc1 CNC(=O)[*:1] O=C(/C=C/C1CC1)Nc1ccc(cc1)C[*:1]
CNC(=O)Cc1ccc(NC(=O)/C=C/C2CC2)cc1 C(=C[*:1])C1CC1 CNC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CNC(=O)Cc1ccc(NC(=O)/C=C/C2CC2)cc1 C1CC1[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)C=C[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)[C@H]1CCCN1C(=O)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccco1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)[C@H]1CCCN1C(=O)c1ccco1)[*:1]
CCCCS[C@@H](C)C(=O)NCc1nc2ccccc2n1C CCC[*:1] C[C@H](SC[*:1])C(=O)NCc1nc2ccccc2n1C
CCCCS[C@@H](C)C(=O)NCc1nc2ccccc2n1C CCCCS[*:1] C[C@@H](C(=O)NCc1nc2ccccc2n1C)[*:1]
CCCCS[C@@H](C)C(=O)NCc1nc2ccccc2n1C CCCC[*:1] C[C@H](S[*:1])C(=O)NCc1nc2ccccc2n1C
CCCCS[C@@H](C)C(=O)NCc1nc2ccccc2n1C CCCCS[C@@H](C)[*:1] Cn1c(CNC(=O)[*:1])nc2ccccc21
Cc1cccc(N/C([O-])=C(\C#N)C(=O)CCCc2ccc(C)s2)c1 Cc1ccc(CC[*:1])s1 Cc1cccc(c1)N/C([O-])=C(\C#N)C(=O)C[*:1]
Cc1cccc(N/C([O-])=C(\C#N)C(=O)CCCc2ccc(C)s2)c1 Cc1ccc(C[*:1])s1 Cc1cccc(c1)N/C([O-])=C(\C#N)C(=O)CC[*:1]
Cc1cccc(N/C([O-])=C(\C#N)C(=O)CCCc2ccc(C)s2)c1 Cc1ccc(s1)[*:1] Cc1cccc(c1)N/C([O-])=C(\C#N)C(=O)CCC[*:1]
Cc1cccc(N/C([O-])=C(\C#N)C(=O)CCCc2ccc(C)s2)c1 Cc1cccc(c1)[*:1] Cc1ccc(CCCC(=O)/C(C#N)=C(\[O-])N[*:1])s1
Cc1cccc(N/C([O-])=C(\C#N)C(=O)CCCc2ccc(C)s2)c1 Cc1cccc(c1)N[*:1] Cc1ccc(CCCC(=O)/C(C#N)=C(\[O-])[*:1])s1
CCc1cc2oc(=O)cc(CN[C@@](C)(C(=O)OC)C3CC3)c2cc1Cl C1CC1[*:1] CCc1cc2oc(=O)cc(CN[C@@](C)(C(=O)OC)[*:1])c2cc1Cl
CCc1cc2oc(=O)cc(CN[C@@](C)(C(=O)OC)C3CC3)c2cc1Cl COC(=O)[*:1] CCc1cc2oc(=O)cc(CN[C@@](C)(C3CC3)[*:1])c2cc1Cl
Cc1ccc2oc(-c3nnc(SCC(=O)[O-])n3N)cc2c1 O=C([O-])CS[*:1] Cc1ccc2oc(cc2c1)-c1nnc(n1N)[*:1]
Cc1ccc2oc(-c3nnc(SCC(=O)[O-])n3N)cc2c1 O=C([O-])C[*:1] Cc1ccc2oc(cc2c1)-c1nnc(S[*:1])n1N
Cc1ccc2oc(-c3nnc(SCC(=O)[O-])n3N)cc2c1 O=C([O-])[*:1] Cc1ccc2oc(cc2c1)-c1nnc(SC[*:1])n1N
COc1ccc(O)c(C(=O)OCC(=O)Nc2c(F)cccc2F)c1 Fc1cccc(F)c1[*:1] COc1ccc(O)c(c1)C(=O)OCC(=O)N[*:1]
COC(=O)c1ccc(C)c(NC(=O)CCn2c(=O)cc(C(F)(F)F)c3cn(C)nc32)c1 FC(F)(F)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)CCn1c(=O)cc(c2cn(C)nc21)[*:1]
COC(=O)c1ccc(C)c(NC(=O)CCn2c(=O)cc(C(F)(F)F)c3cn(C)nc32)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)CCn1c(=O)cc(c2cn(C)nc21)C(F)(F)F)[*:1]
Cc1ccc(C)c([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)c(C)c4)c32)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1C)-c1[nH]nc2OC(N)=C(C#N)[C@H](c21)[*:1]
Cc1ccc(C)c([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)c(C)c4)c32)c1 Cc1ccc(cc1C)[*:1] Cc1ccc(C)c(c1)[C@@H]1C(C#N)=C(N)Oc2n[nH]c(c21)[*:1]
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1csc(-c2ncccn2)n1 CC(C)(C)OC(=O)[*:1] C[C@@H](C[*:1])NC(=O)c1csc(n1)-c1ncccn1
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1csc(-c2ncccn2)n1 c1cnc(nc1)[*:1] C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1csc(n1)[*:1]
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1csc(-c2ncccn2)n1 CC(C)(C)OC(=O)C[*:1] C[C@@H](NC(=O)c1csc(n1)-c1ncccn1)[*:1]
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1csc(-c2ncccn2)n1 CC(C)(C)[*:1] C[C@@H](CC(=O)O[*:1])NC(=O)c1csc(n1)-c1ncccn1
Cc1cccc(C2(C(=O)NC[C@H]3CCCN(c4ncccn4)C3)CCCC2)c1 c1cnc(nc1)[*:1] Cc1cccc(c1)C1(CCCC1)C(=O)NC[C@H]1CCCN(C1)[*:1]
Cc1cccc(C2(C(=O)NC[C@H]3CCCN(c4ncccn4)C3)CCCC2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)C1(CCCC1)[*:1]
C[C@H](C(=O)NN)[C@H](C)n1c(CC#N)nc2ccccc21 N#CC[*:1] C[C@H](C(=O)NN)[C@H](C)n1c(nc2ccccc21)[*:1]
C[C@H](C(=O)NN)[C@H](C)n1c(CC#N)nc2ccccc21 NNC(=O)[*:1] C[C@@H]([C@@H](C)[*:1])n1c(CC#N)nc2ccccc21
O=C([C@@H](F)C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 FC(F)(F)[*:1] O=C([C@@H](F)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C([C@@H](F)C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@@H](F)C(F)(F)F)N1CCN(CC1)[*:1]
CC(C)N1CCCC[C@@](C)(C2CC[NH2+]CC2)C1=O CC(C)[*:1] C[C@]1(CCCCN(C1=O)[*:1])C1CC[NH2+]CC1
CNC(=O)c1cccc(NC(=O)c2n[nH]c(C3CC3)n2)c1 C1CC1[*:1] CNC(=O)c1cccc(c1)NC(=O)c1n[nH]c(n1)[*:1]
CNC(=O)c1cccc(NC(=O)c2n[nH]c(C3CC3)n2)c1 CNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1n[nH]c(n1)C1CC1
O=C([O-])c1ccc(Cc2nc3ccccc3s2)cc1 O=C([O-])[*:1] c1ccc2sc(Cc3ccc(cc3)[*:1])nc2c1
Cc1ccc2ccc([C@@H](Nc3cccc[nH+]3)c3ccc(O)cc3)c([O-])c2n1 Oc1ccc(cc1)[*:1] Cc1ccc2ccc(c([O-])c2n1)[C@@H](Nc1cccc[nH+]1)[*:1]
O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCc1cccnc1 c1cncc(c1)[*:1] O=C(COc1ccc2nc3CCCCCn3c(=O)c2c1)NC[*:1]
O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(COc1ccc2nc3CCCCCn3c(=O)c2c1)N[*:1]
Cc1cc(NC(=O)Nc2ccc(F)cc2F)c2c(c1)=C(c1ccccc1)[C@H](C(=O)N1CCOCC1)[NH+]=2 c1ccc(cc1)[*:1] Cc1cc(NC(=O)Nc2ccc(F)cc2F)c2=[NH+][C@@H](C(=O)N3CCOCC3)C(=c2c1)[*:1]
Cc1cc(NC(=O)Nc2ccc(F)cc2F)c2c(c1)=C(c1ccccc1)[C@H](C(=O)N1CCOCC1)[NH+]=2 Fc1ccc(c(F)c1)[*:1] Cc1cc(NC(=O)N[*:1])c2=[NH+][C@@H](C(=O)N3CCOCC3)C(c3ccccc3)=c2c1
Cc1cc(NC(=O)Nc2ccc(F)cc2F)c2c(c1)=C(c1ccccc1)[C@H](C(=O)N1CCOCC1)[NH+]=2 O=C(Nc1ccc(F)cc1F)N[*:1] Cc1cc(c2=[NH+][C@@H](C(=O)N3CCOCC3)C(c3ccccc3)=c2c1)[*:1]
Cc1cc(NC(=O)Nc2ccc(F)cc2F)c2c(c1)=C(c1ccccc1)[C@H](C(=O)N1CCOCC1)[NH+]=2 O=C(N1CCOCC1)[*:1] Cc1cc(NC(=O)Nc2ccc(F)cc2F)c2=[NH+][C@@H](C(c3ccccc3)=c2c1)[*:1]
COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1 COc1ccc(cc1)[*:1] N#Cc1cc(ccc1F)NC(=O)C(=O)N1CCC[C@@H]1[*:1]
COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1 N#Cc1cc(ccc1F)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)C(=O)N[*:1]
C[NH+](Cc1ccccc1)Cc1cc(C(=O)NCc2cnn3cccnc23)no1 c1ccc(cc1)C[*:1] C[NH+](Cc1cc(no1)C(=O)NCc1cnn2cccnc12)[*:1]
C[NH+](Cc1ccccc1)Cc1cc(C(=O)NCc2cnn3cccnc23)no1 c1ccc(cc1)[*:1] C[NH+](Cc1cc(no1)C(=O)NCc1cnn2cccnc12)C[*:1]
C[NH+](Cc1ccccc1)Cc1cc(C(=O)NCc2cnn3cccnc23)no1 c1cnc2c(cnn2c1)[*:1] C[NH+](Cc1ccccc1)Cc1cc(no1)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cc3F)C2)s1 Fc1cc(Br)ccc1[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cc3F)C2)s1 Cc1ccc(s1)[*:1] O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cccc(C2(CNC(=O)CCn3ccccc3=O)CCCCC2)c1 O=c1ccccn1C[*:1] Cc1cccc(c1)C1(CCCCC1)CNC(=O)C[*:1]
Cc1cccc(C2(CNC(=O)CCn3ccccc3=O)CCCCC2)c1 Cc1cccc(c1)[*:1] O=C(CCn1ccccc1=O)NCC1(CCCCC1)[*:1]
Cc1cccc(C2(CNC(=O)CCn3ccccc3=O)CCCCC2)c1 O=c1ccccn1[*:1] Cc1cccc(c1)C1(CCCCC1)CNC(=O)CC[*:1]
Cc1ccc(CNC(=O)NCc2cccc(Cn3ccnc3C)c2)c(C)c1 Cc1nccn1[*:1] Cc1ccc(CNC(=O)NCc2cccc(c2)C[*:1])c(C)c1
Cc1ccc(CNC(=O)NCc2cccc(Cn3ccnc3C)c2)c(C)c1 Cc1ccc(C[*:1])c(C)c1 Cc1nccn1Cc1cccc(c1)CNC(=O)N[*:1]
Cc1ccc(CNC(=O)NCc2cccc(Cn3ccnc3C)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nccn1Cc1cccc(c1)CNC(=O)NC[*:1]
Cc1ccc(CNC(=O)NCc2cccc(Cn3ccnc3C)c2)c(C)c1 Cc1nccn1C[*:1] Cc1ccc(CNC(=O)NCc2cccc(c2)[*:1])c(C)c1
Cc1noc(C)c1C[NH+]1CCC(C[NH+](C)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1noc(C)c1C[NH+]1CCC(CC1)C[NH+](C)[*:1]
Cc1noc(C)c1C[NH+]1CCC(C[NH+](C)Cc2ccccc2)CC1 Cc1noc(C)c1C[*:1] C[NH+](Cc1ccccc1)CC1CC[NH+](CC1)[*:1]
Cc1noc(C)c1C[NH+]1CCC(C[NH+](C)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1noc(C)c1C[NH+]1CCC(CC1)C[NH+](C)C[*:1]
Cc1noc(C)c1C[NH+]1CCC(C[NH+](C)Cc2ccccc2)CC1 Cc1noc(C)c1[*:1] C[NH+](Cc1ccccc1)CC1CC[NH+](CC1)C[*:1]
Cc1nc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)co1 Fc1cccc(c1)[*:1] Cc1nc(co1)C[NH+]1CCN(CC1)C[*:1]
Cc1nc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)co1 Cc1nc(co1)[*:1] Fc1cccc(c1)CN1CC[NH+](CC1)C[*:1]
Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccccc1I Ic1ccccc1[*:1] Cc1cc(Cl)ccc1NC(=O)COC(=O)[*:1]
c1ccc(Oc2ncccc2-c2noc(COC[C@H]3CCCO3)n2)cc1 c1ccc(cc1)[*:1] c1cnc(O[*:1])c(c1)-c1noc(COC[C@H]2CCCO2)n1
c1ccc(Oc2ncccc2-c2noc(COC[C@H]3CCCO3)n2)cc1 c1ccc(cc1)O[*:1] c1cnc(c(c1)-c1noc(COC[C@H]2CCCO2)n1)[*:1]
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ncccc1[*:1]
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ncccc1C(F)(F)F CC(C)(C)[*:1] O=C(NC[C@@H]1CCCO[C@H]1[*:1])c1ncccc1C(F)(F)F
CCOc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CCOc1ccc(cc1)[C@H](C)NC(=O)N(C)[*:1]
CCOc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H](C)NC(=O)N(C)C[*:1]
CCOc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(F)cc2)cc1 CCO[*:1] C[C@H](NC(=O)N(C)Cc1ccc(F)cc1)c1ccc(cc1)[*:1]
O=C([O-])[C@@H]1CC(=O)N(CCO)C1 O=C([O-])[*:1] O=C1C[C@H](CN1CCO)[*:1]
O=C([O-])[C@@H]1CC(=O)N(CCO)C1 OCC[*:1] O=C([O-])[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(F)cc2)N1C[C@@H]1CCCO1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(F)cc1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(F)cc1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2ccc(F)cc2)N1C[C@@H]1CCCO1)[*:1]
C=CCn1nnnc1S[C@H](C)c1cccc(C)c1 C=CC[*:1] Cc1cccc(c1)[C@@H](C)Sc1nnnn1[*:1]
Cc1cccc2[nH]c(C3CCN(C(=O)CCc4csc(N)n4)CC3)nc12 Nc1nc(cs1)[*:1] Cc1cccc2[nH]c(nc12)C1CCN(CC1)C(=O)CC[*:1]
Cc1cccc2[nH]c(C3CCN(C(=O)CCc4csc(N)n4)CC3)nc12 Nc1nc(cs1)C[*:1] Cc1cccc2[nH]c(nc12)C1CCN(CC1)C(=O)C[*:1]
Cc1cccc2[nH]c(C3CCN(C(=O)CCc4csc(N)n4)CC3)nc12 Nc1nc(cs1)CC[*:1] Cc1cccc2[nH]c(nc12)C1CCN(CC1)C(=O)[*:1]
COC(=O)[C@](NC(=O)c1ccc(F)cc1)(Nc1[nH+]cccc1C)C(F)(F)F Fc1ccc(cc1)[*:1] COC(=O)[C@](NC(=O)[*:1])(Nc1[nH+]cccc1C)C(F)(F)F
COC(=O)[C@](NC(=O)c1ccc(F)cc1)(Nc1[nH+]cccc1C)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@](NC(=O)c1ccc(F)cc1)(Nc1[nH+]cccc1C)[*:1]
COC(=O)[C@](NC(=O)c1ccc(F)cc1)(Nc1[nH+]cccc1C)C(F)(F)F COC(=O)[*:1] Cc1ccc[nH+]c1N[C@@](NC(=O)c1ccc(F)cc1)(C(F)(F)F)[*:1]
C[C@H](NC(=O)C1CCCC1)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@H](NC(=O)C1CCCC1)c1ccc(cc1)NC(=O)N[*:1]
C[C@H](NC(=O)C1CCCC1)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] C[C@H](NC(=O)C1CCCC1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)C1CCCC1)c1ccc(NC(=O)NC2CC2)cc1 C1CCC(C1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)NC(=O)NC1CC1
Cc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 FC(F)(F)[*:1] Cc1cccc(n1)NC(=O)Nc1cc(ccc1Cl)[*:1]
Cc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 Cc1cccc(n1)[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)N[*:1]
O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(COc1ccc(Br)cc1Cl)NNC(=O)[*:1]
COC(C)(C)C[C@@H](C)NC(=O)N1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] COC(C)(C)C[C@@H](C)NC(=O)N1CCN(CC1)C(=O)[*:1]
COC(C)(C)C[C@@H](C)NC(=O)N1CCN(C(=O)C2CCCCC2)CC1 COC(C)(C)[*:1] C[C@H](C[*:1])NC(=O)N1CCN(CC1)C(=O)C1CCCCC1
COC(C)(C)C[C@@H](C)NC(=O)N1CCN(C(=O)C2CCCCC2)CC1 COC(C)(C)C[*:1] C[C@@H](NC(=O)N1CCN(CC1)C(=O)C1CCCCC1)[*:1]
C#CCCN1CCN(C(=O)c2c(C)oc(C)c2C)CC1 C#CC[*:1] Cc1oc(C)c(C(=O)N2CCN(CC2)C[*:1])c1C
C#CCCN1CCN(C(=O)c2c(C)oc(C)c2C)CC1 C#CCC[*:1] Cc1oc(C)c(C(=O)N2CCN(CC2)[*:1])c1C
CN(C(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21)C1CCCCC1 CC(C)(C)[*:1] CN(C(=O)CN1C(=O)COc2cc(ccc21)[*:1])C1CCCCC1
CN(C(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)CN1C(=O)COc2cc(ccc21)C(C)(C)C)[*:1]
C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2ccccc2)CC1 Fc1ccccc1[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)N1CCN(CC1)c1ccccc1
C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(CC1)[*:1]
CN(C)C(=O)COc1ccc(NC(=O)Cc2c(F)cccc2F)cc1 CN(C)C(=O)C[*:1] O=C(Cc1c(F)cccc1F)Nc1ccc(cc1)O[*:1]
CN(C)C(=O)COc1ccc(NC(=O)Cc2c(F)cccc2F)cc1 Fc1cccc(F)c1[*:1] CN(C)C(=O)COc1ccc(cc1)NC(=O)C[*:1]
CN(C)C(=O)COc1ccc(NC(=O)Cc2c(F)cccc2F)cc1 CN(C)C(=O)[*:1] O=C(Cc1c(F)cccc1F)Nc1ccc(cc1)OC[*:1]
CN(C)C(=O)COc1ccc(NC(=O)Cc2c(F)cccc2F)cc1 CN(C)C(=O)CO[*:1] O=C(Cc1c(F)cccc1F)Nc1ccc(cc1)[*:1]
O=C(Nc1ccccc1-n1ccnc1)c1cnns1 c1cn(cn1)[*:1] O=C(Nc1ccccc1[*:1])c1cnns1
O=C(Nc1ccccc1-n1ccnc1)c1cnns1 c1nnsc1[*:1] O=C(Nc1ccccc1-n1ccnc1)[*:1]
Cc1cc([C@@H]2CN(Cc3c(C)nn(CCO)c3C)CCO2)ccc1F OCC[*:1] Cc1cc(ccc1F)[C@@H]1CN(CCO1)Cc1c(C)nn(c1C)[*:1]
Cc1cc([C@@H]2CN(Cc3c(C)nn(CCO)c3C)CCO2)ccc1F Cc1cc(ccc1F)[*:1] Cc1nn(CCO)c(C)c1CN1CCO[C@@H](C1)[*:1]
O=C(NCCC(=O)N1CCCC1)N[C@H]1CCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCC(=O)N1CCCC1)N[C@H]1CCO[C@H]1[*:1]
O=C(NCCC(=O)N1CCCC1)N[C@H]1CCO[C@@H]1c1ccccc1 O=C(C[*:1])N1CCCC1 O=C(NC[*:1])N[C@H]1CCO[C@@H]1c1ccccc1
O=C(NCCC(=O)N1CCCC1)N[C@H]1CCO[C@@H]1c1ccccc1 O=C(N1CCCC1)[*:1] O=C(NCC[*:1])N[C@H]1CCO[C@@H]1c1ccccc1
CC(=O)c1ccc(NC(=O)NCc2ccoc2C)cc1C Cc1occc1[*:1] CC(=O)c1ccc(cc1C)NC(=O)NC[*:1]
CC(=O)c1ccc(NC(=O)NCc2ccoc2C)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NCc1ccoc1C
CC(=O)c1ccc(NC(=O)NCc2ccoc2C)cc1C Cc1occc1C[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[*:1]
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 Clc1ccc(c(Cl)c1)[*:1] CC(C)C[C@H](NC(=O)[*:1])C(=O)N(C)[C@H]1CCS(=O)(=O)C1
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 CC(C)C[*:1] CN(C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] CN(C(=O)[C@H](C[*:1])NC(=O)c1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1
C[C@@H](CCc1cccn1C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 Cn1cccc1[*:1] C[C@@H](CC[*:1])NC(=O)c1ccc(cc1)Nc1cc[nH+]cc1
C[C@@H](CCc1cccn1C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 Cn1cccc1CC[*:1] C[C@@H](NC(=O)c1ccc(cc1)Nc1cc[nH+]cc1)[*:1]
C[C@@H](CCc1cccn1C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 Cn1cccc1C[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(cc1)Nc1cc[nH+]cc1
COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)C(=O)Nc1cc(ccc1F)[*:1]
COc1ccc([C@@H](NC(=O)N2CCOCC2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)N1CCOCC1)[*:1]
C[C@H]1CN(CCCNC(=O)[C@@H]2CCC(=O)N2)C[C@H](C)O1 O=C1CC[C@H](N1)[*:1] C[C@H]1CN(CCCNC(=O)[*:1])C[C@H](C)O1
Cc1cc(=O)c(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
Cc1cc(=O)c(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c[nH]1 Fc1cc(ccc1Cl)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)N[C@H]1CCO[C@H]1[*:1]
COCc1cc(NC(=O)NCCCC2CCCCC2)ncn1 COC[*:1] O=C(NCCCC1CCCCC1)Nc1cc(ncn1)[*:1]
COCc1cc(NC(=O)NCCCC2CCCCC2)ncn1 C1CCC(CC1)C[*:1] COCc1cc(ncn1)NC(=O)NCC[*:1]
COCc1cc(NC(=O)NCCCC2CCCCC2)ncn1 C1CCC(CC1)[*:1] COCc1cc(ncn1)NC(=O)NCCC[*:1]
CN1C[C@@H](C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1=O c1ccc(cc1)CC[*:1] CN1C[C@H](CC1=O)C(=O)NCc1[nH+]ccn1[*:1]
CN1C[C@@H](C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1=O c1ccc(cc1)[*:1] CN1C[C@H](CC1=O)C(=O)NCc1[nH+]ccn1CC[*:1]
CN1C[C@@H](C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1=O c1ccc(cc1)C[*:1] CN1C[C@H](CC1=O)C(=O)NCc1[nH+]ccn1C[*:1]
CN1C[C@@H](C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1=O CN1C[C@@H](CC1=O)[*:1] O=C(NCc1[nH+]ccn1CCc1ccccc1)[*:1]
CC(C)N(C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C(C)C O=C([O-])[*:1] CC(C)N(C(=O)[C@@H]1CCCC[C@@H]1[*:1])C(C)C
CC(C)N(C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C(C)C CC(C)[*:1] CC(C)N(C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])[*:1]
CCOc1ccccc1N1C[C@H](C(=O)NC)CC1=O CCO[*:1] CNC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1[*:1]
CCOc1ccccc1N1C[C@H](C(=O)NC)CC1=O CNC(=O)[*:1] CCOc1ccccc1N1C[C@H](CC1=O)[*:1]
C[C@@H]1C[C@@H](Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)C(=O)O1 C1CCN(C1)[*:1] C[C@@H]1C[C@@H](Sc2nnc(n2-c2cccc(Cl)c2)[*:1])C(=O)O1
C[C@@H]1C[C@@H](Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)C(=O)O1 Clc1cccc(c1)[*:1] C[C@@H]1C[C@@H](Sc2nnc(N3CCCC3)n2[*:1])C(=O)O1
CCC(CC)NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 Cn1ccnc1[*:1] CCC(CC)NC(=O)C(=O)Nc1ccc(cc1)S[*:1]
CCC(CC)NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 Cn1ccnc1S[*:1] CCC(CC)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCC(CC)NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 CCC(CC)[*:1] Cn1ccnc1Sc1ccc(cc1)NC(=O)C(=O)N[*:1]
O=C(Cc1ccon1)N1CCCN(Cc2ccccc2)c2ccccc21 c1ccc(cc1)C[*:1] O=C(Cc1ccon1)N1CCCN(c2ccccc21)[*:1]
O=C(Cc1ccon1)N1CCCN(Cc2ccccc2)c2ccccc21 c1cc(C[*:1])no1 O=C(N1CCCN(Cc2ccccc2)c2ccccc21)[*:1]
O=C(Cc1ccon1)N1CCCN(Cc2ccccc2)c2ccccc21 c1cc(no1)[*:1] O=C(C[*:1])N1CCCN(Cc2ccccc2)c2ccccc21
O=C(Cc1ccon1)N1CCCN(Cc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] O=C(Cc1ccon1)N1CCCN(C[*:1])c2ccccc21
NS(=O)(=O)c1ccc(CCNC(=O)CCC2=NC(=O)C3=C4CCCC[C@@H]4SC3=N2)cc1 NS(=O)(=O)[*:1] O=C(CCC1=NC(=O)C2C(=N1)S[C@H]1CCCCC=21)NCCc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)CCC2=NC(=O)C3=C4CCCC[C@@H]4SC3=N2)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(CCC1=NC(=O)C2C(=N1)S[C@H]1CCCCC=21)NCC[*:1]
C[C@@H](C(=O)Nc1ccccc1)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] C[C@@H](C(=O)Nc1ccccc1)N1CC[NH+](CC1)Cc1cccc(c1)[*:1]
C[C@@H](C(=O)Nc1ccccc1)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 O=C(Nc1ccccc1)[*:1] C[C@@H](N1CC[NH+](CC1)Cc1cccc(c1)C(F)(F)F)[*:1]
C[C@@H](C(=O)Nc1ccccc1)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])N1CC[NH+](CC1)Cc1cccc(c1)C(F)(F)F
COC(=O)C1CCN(C(=O)CCc2c(C)c3ccc(O)cc3oc2=O)CC1 COC(=O)[*:1] Cc1c(CCC(=O)N2CCC(CC2)[*:1])c(=O)oc2cc(O)ccc12
O=C1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCCC4)C3)ccc2N1 O=C(N1CCCCC1)[*:1] O=C1CCCc2cc(ccc2N1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
CCCN[C@@H](c1cccs1)[C@@](C)(CC)[NH+](C)C c1csc(c1)[*:1] CCCN[C@@H]([C@@](C)(CC)[NH+](C)C)[*:1]
CCCN[C@@H](c1cccs1)[C@@](C)(CC)[NH+](C)C CCC[*:1] CC[C@](C)([C@@H](N[*:1])c1cccs1)[NH+](C)C
CCCN[C@@H](c1cccs1)[C@@](C)(CC)[NH+](C)C CCCN[*:1] CC[C@](C)([C@H](c1cccs1)[*:1])[NH+](C)C
CCOc1cccc(CC(=O)NCCc2ccc[nH]2)c1 CCO[*:1] O=C(Cc1cccc(c1)[*:1])NCCc1ccc[nH]1
CCOc1cccc(CC(=O)NCCc2ccc[nH]2)c1 c1c[nH]c(c1)[*:1] CCOc1cccc(c1)CC(=O)NCC[*:1]
CCOc1cccc(CC(=O)NCCc2ccc[nH]2)c1 c1c[nH]c(c1)C[*:1] CCOc1cccc(c1)CC(=O)NC[*:1]
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O c1ccc(cc1)[*:1] Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc2C(=O)N(CC[*:1])C(=O)c2c1
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O c1ccc(cc1)CC[*:1] Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O c1ccc(cc1)C[*:1] Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C1C[C@@H](C)O[C@H](C)C1 Brc1ccc(cc1)[*:1] C[C@H]1[C@@H](OCCN1C1C[C@@H](C)O[C@H](C)C1)[*:1]
COc1cc(OC)cc(C(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)c1 COc1cc(cc(c1)[*:1])OC O=C(Nc1ccccc1-c1nc(no1)-c1cccnc1)[*:1]
COc1cc(OC)cc(C(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)c1 c1cncc(c1)[*:1] COc1cc(cc(c1)C(=O)Nc1ccccc1-c1nc(no1)[*:1])OC
Cn1c(CCNC(=O)[C@H](O)c2ccccc2)nc2c(F)cccc21 c1ccc(cc1)[*:1] Cn1c(CCNC(=O)[C@H](O)[*:1])nc2c(F)cccc21
Cn1c(CCNC(=O)[C@H](O)c2ccccc2)nc2c(F)cccc21 O[C@H](c1ccccc1)[*:1] Cn1c(CCNC(=O)[*:1])nc2c(F)cccc21
CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1ccccc1N(C)C CN(C)[*:1] CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1ccccc1[*:1]
CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1ccccc1N(C)C CC(C)[*:1] C[C@H]([NH2+]Cc1ccccc1O[*:1])c1ccccc1N(C)C
CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1ccccc1N(C)C CC(C)O[*:1] C[C@H]([NH2+]Cc1ccccc1[*:1])c1ccccc1N(C)C
O=C(Nc1nc2ccc(-n3cnnc3)cc2s1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1nc2ccc(cc2s1)-n1cnnc1)[*:1]
O=C(Nc1nc2ccc(-n3cnnc3)cc2s1)c1cccc(F)c1 c1nncn1[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1cccc(F)c1
CC(C)Cc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 CC(C)C[*:1] [NH2+]=C1Nc2nc3ccccc3n2[C@H](N1)c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 CC(C)[*:1] [NH2+]=C1Nc2nc3ccccc3n2[C@H](N1)c1ccc(cc1)C[*:1]
CC(=O)c1cc2c(cc1NC(=O)COc1ccc3oc4c(c3c1)CCCC4)OCO2 CC(=O)[*:1] O=C(COc1ccc2oc3CCCCc3c2c1)Nc1cc2OCOc2cc1[*:1]
Cc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cn1 c1coc(c1)[*:1] Cc1ccc(cn1)CNC(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cn1 Cc1ccc(cn1)[*:1] C[NH+](C)[C@H](CNC(=O)NC[*:1])c1ccco1
COC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C1=C(CN2CCC(CC2)[NH+]2CCCCC2)NC(=O)N[C@H]1[*:1]
COC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1 COC(=O)[*:1] O=C1NC(CN2CCC(CC2)[NH+]2CCCCC2)=C([C@H](N1)c1ccccc1)[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)Cn2c(=O)cnc3ccccc32)cc1 CC(=O)[*:1] C[C@@H](OC(=O)Cn1c(=O)cnc2ccccc21)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)Cn2c(=O)cnc3ccccc32)cc1 CC(=O)c1ccc(cc1)[*:1] C[C@@H](OC(=O)Cn1c(=O)cnc2ccccc21)C(=O)N[*:1]
Cc1c(C[S@@](C)=O)cccc1NCc1ccccc1-n1cccn1 c1cnn(c1)[*:1] Cc1c(cccc1NCc1ccccc1[*:1])C[S@@](C)=O
COc1cccc(CCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 NC(=O)[*:1] COc1cccc(c1)CCC(=O)N1C[C@H](CC[C@@H]1C)[*:1]
COc1ccc(CO/N=C(/C)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CO/N=C(/C)c1ccc(cc1)NC(C)=O
COc1ccc(CO/N=C(/C)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] CC(=O)N[*:1] COc1ccc(cc1[N+](=O)[O-])CO/N=C(/C)c1ccc(cc1)[*:1]
Cn1c(=O)c2c(=O)cc(NNC(=O)CC#N)[nH]c2n(C)c1=O N#CC[*:1] Cn1c(=O)c2c(=O)cc(NNC(=O)[*:1])[nH]c2n(C)c1=O
Cn1c(=O)c2c(=O)cc(NNC(=O)CC#N)[nH]c2n(C)c1=O N#CCC(=O)NN[*:1] Cn1c(=O)c2c(=O)cc([nH]c2n(C)c1=O)[*:1]
CNC(=O)CSc1nnc(-c2ccoc2C)o1 CNC(=O)C[*:1] Cc1occc1-c1nnc(o1)S[*:1]
CNC(=O)CSc1nnc(-c2ccoc2C)o1 CNC(=O)[*:1] Cc1occc1-c1nnc(o1)SC[*:1]
Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@@]1(O)C[*:1]
Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(C[*:1])c2ccccc21
Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(c2ccccc21)[*:1]
Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@@]1(O)CC(=O)[*:1]
Cc1cc(C)cc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)c1 O=C(N[*:1])c1cccnc1 Cc1cc(C)cc(c1)C(=O)NCc1cccc(c1)[*:1]
Cc1cc(C)cc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)c1 c1cncc(c1)[*:1] Cc1cc(C)cc(c1)C(=O)NCc1cccc(c1)NC(=O)[*:1]
Cc1cc(C)cc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)c1 Cc1cc(C)cc(c1)[*:1] O=C(Nc1cccc(c1)CNC(=O)[*:1])c1cccnc1
CCc1nc(CNS(=O)(=O)c2ccc(C)c(N(C)C)c2)cs1 CCc1nc(cs1)[*:1] Cc1ccc(cc1N(C)C)S(=O)(=O)NC[*:1]
CCc1nc(CNS(=O)(=O)c2ccc(C)c(N(C)C)c2)cs1 CN(C)[*:1] CCc1nc(cs1)CNS(=O)(=O)c1ccc(C)c(c1)[*:1]
N#CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 N#CC[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2OCOc2c1)[*:1]
O=C(c1cc(-c2cccnc2)[nH]n1)N1CCC2(CC1)OCCO2 c1cncc(c1)[*:1] O=C(c1cc([nH]n1)[*:1])N1CCC2(CC1)OCCO2
CCc1nc(CSCC(=O)N[C@@H](C)c2ccc(Cl)cc2)no1 CCc1nc(no1)[*:1] C[C@H](NC(=O)CSC[*:1])c1ccc(Cl)cc1
CCc1nc(CSCC(=O)N[C@@H](C)c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CCc1nc(CSCC(=O)N[C@@H](C)[*:1])no1
O=C(CNC(=O)c1cc2scc(-c3ccccc3)c2[nH]1)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(CNC(=O)c1cc2scc(-c3ccccc3)c2[nH]1)N[*:1]
O=C(CNC(=O)c1cc2scc(-c3ccccc3)c2[nH]1)Nc1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(CNC(=O)c1cc2scc(c2[nH]1)[*:1])Nc1ccc2OCCOc2c1
CNc1ccc(/C=C2\CSc3ccc(F)cc3C2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(/C=C2\CSc3ccc(F)cc3C2=O)cc1[*:1]
CC[C@H](C)NC(=O)Cn1cccc(C(F)(F)F)c1=O CC[C@H](C)[*:1] O=C(Cn1cccc(c1=O)C(F)(F)F)N[*:1]
CC[C@H](C)NC(=O)Cn1cccc(C(F)(F)F)c1=O FC(F)(F)[*:1] CC[C@H](C)NC(=O)Cn1cccc(c1=O)[*:1]
CS(=O)(=O)N1CCC(CNC(=O)Nc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)CNC(=O)N[*:1]
Cc1ccc(-c2nc3nc4c(c(N5CCN(c6cccc[nH+]6)CC5)n3n2)CCC4)cc1 Cc1ccc(cc1)[*:1] c1ccc([nH+]c1)N1CCN(CC1)c1c2CCCc2nc2nc(nn12)[*:1]
CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2ccccc2C)C1 c1ccc(cc1)[*:1] CC(=O)N1CCc2c(C1)sc1c2c(=O)n(c(=O)n1CC(=O)Nc1ccccc1C)[*:1]
CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2ccccc2C)C1 Cc1ccccc1NC(=O)[*:1] CC(=O)N1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c(=O)n1C[*:1]
CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2ccccc2C)C1 Cc1ccccc1[*:1] CC(=O)N1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c(=O)n1CC(=O)N[*:1]
CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)Nc2ccccc2C)C1 Cc1ccccc1NC(=O)C[*:1] CC(=O)N1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c(=O)n1[*:1]
Cc1cccn(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)c1=O Cc1cccn(c1=O)[*:1] O=C(C[*:1])NCc1cccc(c1)C(=O)NC1CC1
Cc1cccn(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)c1=O O=C(NC1CC1)[*:1] Cc1cccn(CC(=O)NCc2cccc(c2)[*:1])c1=O
Cc1cccn(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)c1=O C1CC1[*:1] Cc1cccn(CC(=O)NCc2cccc(c2)C(=O)N[*:1])c1=O
Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCC(=O)NC3CC3)c2C)n1 C1CC1[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(CC(=O)NCC(=O)N[*:1])c1C
Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCC(=O)NC3CC3)c2C)n1 O=C(C[*:1])NC1CC1 Cc1cc(C)nc(n1)-n1nc(C)c(CC(=O)N[*:1])c1C
Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCC(=O)NC3CC3)c2C)n1 Cc1cc(C)nc(n1)[*:1] Cc1nn(c(C)c1CC(=O)NCC(=O)NC1CC1)[*:1]
Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCC(=O)NC3CC3)c2C)n1 O=C(NC1CC1)[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(CC(=O)NC[*:1])c1C
CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(N2CCCCCC2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)N1CCCCCC1)[C@@H]1CCCN1C(=O)[*:1]
CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(N2CCCCCC2)c1 C1CCCN(CC1)[*:1] CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(c1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@H](C(=O)[O-])C3)C2)cc1 O=C([O-])[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N1CCC[C@H](C1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@H](C(=O)[O-])C3)C2)cc1 COc1ccc(cc1)[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CCN(C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] Fc1ccc(cc1C(F)(F)F)C[NH+]1CCC(CC1)[*:1]
CCN(C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1)S(C)(=O)=O FC(F)(F)[*:1] CCN(C1CC[NH+](CC1)Cc1ccc(F)c(c1)[*:1])S(C)(=O)=O
CCc1cc2c(n1Cc1ccccc1)CCC[C@@H]2[NH2+]CC1(OC)CCOCC1 c1ccc(cc1)[*:1] CCc1cc2c(CCC[C@@H]2[NH2+]CC2(CCOCC2)OC)n1C[*:1]
CCc1cc2c(n1Cc1ccccc1)CCC[C@@H]2[NH2+]CC1(OC)CCOCC1 c1ccc(cc1)C[*:1] CCc1cc2c(CCC[C@@H]2[NH2+]CC2(CCOCC2)OC)n1[*:1]
CCc1cc2c(n1Cc1ccccc1)CCC[C@@H]2[NH2+]CC1(OC)CCOCC1 COC1(CCOCC1)[*:1] CCc1cc2c(CCC[C@@H]2[NH2+]C[*:1])n1Cc1ccccc1
Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCOC2)cnn1-c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] Cc1c(cnn1[*:1])[C@H](C)[NH2+]C[C@@]1(O)CCOC1
Cc1cc(C(=O)Nc2ccccc2C(N)=O)c(C)n1C(C)C NC(=O)[*:1] Cc1cc(C(=O)Nc2ccccc2[*:1])c(C)n1C(C)C
Cc1cc(C(=O)Nc2ccccc2C(N)=O)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)Nc2ccccc2C(N)=O)c(C)n1[*:1]
C[C@H](CC1CC1)[NH2+][C@H](C)[C@@H](C)O C1CC1C[*:1] C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)[*:1]
C[C@H](CC1CC1)[NH2+][C@H](C)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CC1CC1)[NH2+][C@H](C)[*:1]
C[C@H](CC1CC1)[NH2+][C@H](C)[C@@H](C)O C1CC1[*:1] C[C@H](C[*:1])[NH2+][C@H](C)[C@@H](C)O
Cc1cccc(C(C)(C)CNC(=O)CCc2nncn2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(C)(C)CNC(=O)CCc1nncn1[*:1]
Cc1cccc(C(C)(C)CNC(=O)CCc2nncn2-c2ccccc2)c1 Cc1cccc(c1)[*:1] CC(C)(CNC(=O)CCc1nncn1-c1ccccc1)[*:1]
COc1ccc(S(=O)(=O)NCC[NH+]2CCC(c3ccsc3)CC2)cc1C c1cc(cs1)[*:1] COc1ccc(cc1C)S(=O)(=O)NCC[NH+]1CCC(CC1)[*:1]
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 CC(C)[*:1] C[C@H]1C[C@H]1CN(C(=O)NCC1(CCOCC1)c1ccc(F)cc1)[*:1]
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 Fc1ccc(cc1)[*:1] CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCC1(CCOCC1)[*:1]
O=C(Nc1ccccc1C(=O)[O-])c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 O=C([O-])[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O
O=C(Nc1ccccc1C(=O)[O-])c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 O=C([O-])c1ccccc1[*:1] O=C(N[*:1])c1ccc(cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O
COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(C(=O)OC)cc2)C1=O Cc1ccc(cc1)[*:1] COC(=O)C1C(=O)/C(=C\c2ccc(cc2)C(=O)OC)N(C=1C)[*:1]
COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(C(=O)OC)cc2)C1=O COC(=O)[*:1] COC(=O)c1ccc(/C=C2\C(=O)C(=C(C)N2c2ccc(C)cc2)[*:1])cc1
COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(C(=O)OC)cc2)C1=O COC(=O)[*:1] COC(=O)C1C(=O)/C(=C\c2ccc(cc2)[*:1])N(C=1C)c1ccc(C)cc1
CC[NH2+][C@@H]1[C@@H](S(=O)(=O)c2ccccc2)CCC1(C)C c1ccc(cc1)[*:1] CC[NH2+][C@@H]1[C@H](CCC1(C)C)S(=O)(=O)[*:1]
CCOC(=O)C1(c2nc([C@H]3CCCOC3)no2)CC1 CCOC(=O)[*:1] C1COC[C@H](C1)c1noc(n1)C1(CC1)[*:1]
CCOC(=O)C1(c2nc([C@H]3CCCOC3)no2)CC1 C1COC[C@H](C1)[*:1] CCOC(=O)C1(CC1)c1nc(no1)[*:1]
O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1nc2ccccc2s1 c1ccc(cc1)[*:1] O=C(Cn1nc2c(cccn2c1=O)-c1nc(no1)[*:1])Nc1nc2ccccc2s1
O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1nc2ccccc2s1 c1ccc(cc1)-c1noc(n1)[*:1] O=C(Cn1nc2c(cccn2c1=O)[*:1])Nc1nc2ccccc2s1
O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(Cn1nc2c(cccn2c1=O)-c1nc(no1)-c1ccccc1)N[*:1]
C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C CC(C)(C)C(=O)OC[*:1] C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)[*:1]
C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C CC(C)(C)C(=O)OCC(=O)[*:1] C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)[*:1]
C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C CC(C)(C)C(=O)O[*:1] C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)C[*:1]
Cc1[nH]c(=O)c(C(=O)OCC(=O)N2CCCCCC2)cc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(=O)c(cc1[*:1])C(=O)OCC(=O)N1CCCCCC1
Cc1[nH]c(=O)c(C(=O)OCC(=O)N2CCCCCC2)cc1-c1ccccc1 O=C(N1CCCCCC1)[*:1] Cc1[nH]c(=O)c(cc1-c1ccccc1)C(=O)OC[*:1]
CC[NH+](CC)[C@@H]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CC[NH+](CC)[C@@H]1CCN(C1)c1nc2ccccn2c1[*:1]
Cc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)cc1C C1CCC(C1)N[*:1] Cc1ccc(cc1C)-n1ncc2c(ncnc21)[*:1]
Cc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)cc1C C1CCC(C1)[*:1] Cc1ccc(cc1C)-n1ncc2c(ncnc21)N[*:1]
COc1ccc(NC(=O)CS/C(C(C)=O)=C(\C)[O-])cc1 CC(=O)[*:1] COc1ccc(cc1)NC(=O)CS/C(=C(\C)[O-])[*:1]
CCCN(CCC[NH3+])C(=O)Cc1c(F)cccc1F CCC[*:1] [NH3+]CCCN(C(=O)Cc1c(F)cccc1F)[*:1]
CCCN(CCC[NH3+])C(=O)Cc1c(F)cccc1F [NH3+]CCC[*:1] CCCN(C(=O)Cc1c(F)cccc1F)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccn1 C[C@H](c1ccccn1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(Cc1ccccc1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccn1 Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)N(Cc1ccccc1)[C@H](C)c1ccccn1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccn1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C[*:1])[C@H](C)c1ccccn1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccn1 c1ccc(cc1)C[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N([C@H](C)c1ccccn1)[*:1]
COc1ccccc1Oc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N COc1ccccc1O[*:1] Nc1c(ncnc1[*:1])Nc1cc(ccc1Cl)C(F)(F)F
COc1ccccc1Oc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N COc1ccccc1[*:1] Nc1c(ncnc1O[*:1])Nc1cc(ccc1Cl)C(F)(F)F
COc1ccccc1Oc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N FC(F)(F)[*:1] COc1ccccc1Oc1ncnc(Nc2cc(ccc2Cl)[*:1])c1N
CC[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N(c1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)N(S(C)(=O)=O)[*:1]
CC[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N(c1ccccc1)S(C)(=O)=O FC(F)(F)[*:1] CC[C@H](C(=O)N1CCN(CC1)c1cccc(c1)[*:1])N(c1ccccc1)S(C)(=O)=O
CC[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N(c1ccccc1)S(C)(=O)=O FC(F)(F)c1cccc(c1)[*:1] CC[C@H](C(=O)N1CCN(CC1)[*:1])N(c1ccccc1)S(C)(=O)=O
CC(C)(C)[C@H](C#N)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 Brc1cnn(c1)[*:1] CC(C)(C)[C@H](C#N)NC(=O)c1ccc(nn1)[*:1]
CC(C)(C)[C@H](C#N)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 CC(C)(C)[*:1] N#C[C@H](NC(=O)c1ccc(nn1)-n1cc(Br)cn1)[*:1]
CCOC(=O)NCCC(=O)N(CC)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)NCCC(=O)N(CC)[*:1]
CCOC(=O)NCCC(=O)N(CC)c1ccccc1 CCOC(=O)N[*:1] CCN(C(=O)CC[*:1])c1ccccc1
COc1cc(/C=C/C(=O)N(C)CCOc2ccc(Cl)cc2)cc2c1OCCO2 Clc1ccc(cc1)O[*:1] COc1cc(/C=C/C(=O)N(C)CC[*:1])cc2OCCOc12
COc1cc(/C=C/C(=O)N(C)CCOc2ccc(Cl)cc2)cc2c1OCCO2 Clc1ccc(cc1)OC[*:1] COc1cc(/C=C/C(=O)N(C)C[*:1])cc2OCCOc12
COc1cc(/C=C/C(=O)N(C)CCOc2ccc(Cl)cc2)cc2c1OCCO2 Clc1ccc(cc1)[*:1] COc1cc(/C=C/C(=O)N(C)CCO[*:1])cc2OCCOc12
C/[NH+]=C(\NCc1cn2c(C)cccc2[nH+]1)NC[C@@H](C)C#N C[C@@H](C#N)C[*:1] C/[NH+]=C(\NCc1cn2c(C)cccc2[nH+]1)N[*:1]
C/[NH+]=C(\NCc1cn2c(C)cccc2[nH+]1)NC[C@@H](C)C#N C[C@@H](C#N)[*:1] C/[NH+]=C(\NCc1cn2c(C)cccc2[nH+]1)NC[*:1]
Cc1noc(CN2CCN(C(=O)[C@@H]3SCCc4sccc43)CC2)n1 Cc1noc(C[*:1])n1 O=C([C@@H]1SCCc2sccc21)N1CCN(CC1)[*:1]
Cc1noc(CN2CCN(C(=O)[C@@H]3SCCc4sccc43)CC2)n1 Cc1noc(n1)[*:1] O=C([C@@H]1SCCc2sccc21)N1CCN(CC1)C[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2cc(NC(C)=O)ccc2F)C1 CCC[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2cc(NC(C)=O)ccc2F)C1 CC(=O)N[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)Nc1cc(ccc1F)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2cc(NC(C)=O)ccc2F)C1 CCC[C@@H](C)[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2cc(NC(C)=O)ccc2F)C1 CCC[C@@H](C)NC(=O)[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)N1CCC[C@H](C1)[*:1]
C[C@@H](Cc1ccccc1F)NC(=O)N1CCOCC[C@H]1C Fc1ccccc1[*:1] C[C@@H](C[*:1])NC(=O)N1CCOCC[C@H]1C
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)nnn2CC C=CC[*:1] CCn1nnc2cc(ccc21)C(=O)N(Cc1ccc(Cl)s1)[*:1]
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)nnn2CC Clc1ccc(C[*:1])s1 C=CCN(C(=O)c1ccc2c(c1)nnn2CC)[*:1]
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)nnn2CC Clc1ccc(s1)[*:1] C=CCN(C[*:1])C(=O)c1ccc2c(c1)nnn2CC
Cc1ccc(CNC(=O)NC[C@](C)(O)c2ccsc2)c(C)c1 c1cc(cs1)[*:1] Cc1ccc(CNC(=O)NC[C@](C)(O)[*:1])c(C)c1
CC[NH2+][C@H](Cc1cccc(Br)c1)C(OC)OC COC(OC)[*:1] CC[NH2+][C@H](Cc1cccc(Br)c1)[*:1]
CC(C)c1cc2n[nH]c(=O)n2c(-c2ccccc2F)n1 CC(C)[*:1] O=c1[nH]nc2cc(nc(-c3ccccc3F)n12)[*:1]
Nc1nc2c(c(-c3ccccc3)n1)CN(Cc1ccc([C@@H]3C=CN=N3)o1)C2 c1ccc(cc1)[*:1] Nc1nc2CN(Cc3ccc(o3)[C@@H]3C=CN=N3)Cc2c(n1)[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1C(=O)N(C)C Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N1CCC[C@@H]1C(=O)N(C)C
C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H]1[*:1]
CC(C)c1cn(CC(=O)N[C@H](C)c2nc3ccccc3s2)nn1 CC(C)[*:1] C[C@@H](NC(=O)Cn1cc(nn1)[*:1])c1nc2ccccc2s1
Cc1c(Cl)cccc1NC(=O)CNC(=O)C[C@@H](C)NC(=O)c1ccccc1 Cc1c(Cl)cccc1[*:1] C[C@H](CC(=O)NCC(=O)N[*:1])NC(=O)c1ccccc1
Cc1c(Cl)cccc1NC(=O)CNC(=O)C[C@@H](C)NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 Cc1c(Cl)cccc1NC(=O)CNC(=O)C[C@@H](C)[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)C[C@@H](C)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)CNC(=O)C[C@@H](C)NC(=O)[*:1]
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(O)cc2)CC(=O)N1 CCOC(=O)CS[*:1] N#CC1=C(NC(=O)C[C@H]1c1ccc(O)cc1)[*:1]
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(O)cc2)CC(=O)N1 Oc1ccc(cc1)[*:1] CCOC(=O)CSC1NC(=O)C[C@@H](C=1C#N)[*:1]
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(O)cc2)CC(=O)N1 CCOC(=O)C[*:1] N#CC1=C(NC(=O)C[C@H]1c1ccc(O)cc1)S[*:1]
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(O)cc2)CC(=O)N1 CCOC(=O)[*:1] N#CC1=C(NC(=O)C[C@H]1c1ccc(O)cc1)SC[*:1]
Cc1nnc(N2CC[C@@H](Cc3ccccc3)C2)c(C#N)c1C c1ccc(cc1)C[*:1] Cc1nnc(c(C#N)c1C)N1CC[C@@H](C1)[*:1]
Cc1nnc(N2CC[C@@H](Cc3ccccc3)C2)c(C#N)c1C c1ccc(cc1)[*:1] Cc1nnc(c(C#N)c1C)N1CC[C@H](C1)C[*:1]
Cc1nc(CCC(=O)N[C@@H]2C[C@H]3CCCc4cccc2c43)oc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(CCC(=O)N[C@@H]2C[C@H]3CCCc4cccc2c43)oc1[*:1]
O=C(Nc1ccnn1Cc1ccco1)c1cccnc1SC(F)F FC(F)[*:1] O=C(Nc1ccnn1Cc1ccco1)c1cccnc1S[*:1]
O=C(Nc1ccnn1Cc1ccco1)c1cccnc1SC(F)F c1coc(c1)[*:1] O=C(Nc1ccnn1C[*:1])c1cccnc1SC(F)F
O=C(Nc1ccnn1Cc1ccco1)c1cccnc1SC(F)F FC(F)S[*:1] O=C(Nc1ccnn1Cc1ccco1)c1cccnc1[*:1]
O=C(Nc1ccnn1Cc1ccco1)c1cccnc1SC(F)F c1coc(c1)C[*:1] O=C(Nc1ccnn1[*:1])c1cccnc1SC(F)F
CNC(=O)c1cccc(-c2cccnc2C(=O)[O-])c1 CNC(=O)[*:1] O=C([O-])c1ncccc1-c1cccc(c1)[*:1]
CNC(=O)c1cccc(-c2cccnc2C(=O)[O-])c1 O=C([O-])[*:1] CNC(=O)c1cccc(c1)-c1cccnc1[*:1]
O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)N[*:1]
O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc(F)c(F)c1 c1coc(c1)[*:1] O=C(CSc1nnc(-c2cccs2)n1C[*:1])Nc1ccc(F)c(F)c1
O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc(F)c(F)c1 c1csc(c1)[*:1] O=C(CSc1nnc(n1Cc1ccco1)[*:1])Nc1ccc(F)c(F)c1
O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc(F)c(F)c1 c1coc(c1)C[*:1] O=C(CSc1nnc(-c2cccs2)n1[*:1])Nc1ccc(F)c(F)c1
CC[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] CC[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(c(F)c1)[*:1]
O=C(CSc1nnc(Cc2ccccc2)o1)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(CSc1nnc(Cc2ccccc2)o1)c1cc(ccc1Cl)[*:1]
O=C(CSc1nnc(Cc2ccccc2)o1)c1cc([N+](=O)[O-])ccc1Cl c1ccc(cc1)[*:1] O=C(CSc1nnc(C[*:1])o1)c1cc(ccc1Cl)[N+](=O)[O-]
O=C(CSc1nnc(Cc2ccccc2)o1)c1cc([N+](=O)[O-])ccc1Cl c1ccc(cc1)C[*:1] O=C(CSc1nnc(o1)[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
CC[C@@H]1CCCCN1C(=O)NCCc1cccc(C(=O)OC)c1 COC(=O)[*:1] CC[C@@H]1CCCCN1C(=O)NCCc1cccc(c1)[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)NCc2cccs2)cc1 c1csc(c1)C[*:1] CC(C)NC(=O)NCc1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)NCc2cccs2)cc1 c1csc(c1)[*:1] CC(C)NC(=O)NCc1ccc(cc1)C(=O)NC[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)NCc2cccs2)cc1 CC(C)NC(=O)N[*:1] O=C(NCc1cccs1)c1ccc(cc1)C[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)NCc2cccs2)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)C(=O)NCc1cccs1)N[*:1]
CC[C@H](C)CN(CC)C(=O)c1cccc2cc[nH]c12 CC[C@H](C)C[*:1] CCN(C(=O)c1cccc2cc[nH]c12)[*:1]
CC[C@H](C)CN(CC)C(=O)c1cccc2cc[nH]c12 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)c1cccc2cc[nH]c12
O=[N+]([O-])c1ccc2oc(N[C@@H]3CCCC[C@@H]3O)nc2c1 O=[N+]([O-])[*:1] O[C@H]1CCCC[C@H]1Nc1nc2cc(ccc2o1)[*:1]
Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)C(C)C CC(C)C(=O)N[*:1] Cc1cc2nn(nc2cc1[*:1])-c1cccc2ccccc12
Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)C(C)C CC(C)[*:1] Cc1cc2nn(nc2cc1NC(=O)[*:1])-c1cccc2ccccc12
COc1ccc(-c2cc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)c3ccccc3n2)cc1 COc1ccc(cc1)[*:1] O=C(CNC(=O)c1cc(nc2ccccc12)[*:1])Nc1ccc(F)c(F)c1F
COc1ccc(-c2cc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)c3ccccc3n2)cc1 Fc1ccc(c(F)c1F)[*:1] COc1ccc(cc1)-c1cc(C(=O)NCC(=O)N[*:1])c2ccccc2n1
Cn1cnc(S(=O)(=O)NC(C)(C)C#N)c1Cl CC(C)(C#N)[*:1] Cn1cnc(c1Cl)S(=O)(=O)N[*:1]
NC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)cc1Cl NC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
Cc1ccc2nc([C@H]3CCCN3C(=O)c3cn(Cc4ccc(F)cc4)nn3)[nH]c2c1 Fc1ccc(cc1)[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)c1cn(C[*:1])nn1
Cc1ccc2nc([C@H]3CCCN3C(=O)c3cn(Cc4ccc(F)cc4)nn3)[nH]c2c1 Fc1ccc(cc1)C[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)c1cn(nn1)[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)c3cn(Cc4ccc(F)cc4)nn3)[nH]c2c1 Cc1ccc2nc([nH]c2c1)[*:1] O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCC[C@@H]1[*:1]
COc1cccc(C(=O)Nc2ccnn2CCc2ccccc2)n1 COc1cccc(n1)[*:1] O=C(Nc1ccnn1CCc1ccccc1)[*:1]
COc1cccc(C(=O)Nc2ccnn2CCc2ccccc2)n1 c1ccc(cc1)C[*:1] COc1cccc(n1)C(=O)Nc1ccnn1C[*:1]
COc1cccc(C(=O)Nc2ccnn2CCc2ccccc2)n1 c1ccc(cc1)[*:1] COc1cccc(n1)C(=O)Nc1ccnn1CC[*:1]
COc1cccc(C(=O)Nc2ccnn2CCc2ccccc2)n1 c1ccc(cc1)CC[*:1] COc1cccc(n1)C(=O)Nc1ccnn1[*:1]
CCc1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)CN(C(=O)CO[*:1])c1ccccn1
CCc1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1 Fc1ccc(cc1)OC[*:1] CCc1ccc(cc1)CN(C(=O)[*:1])c1ccccn1
CCc1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1 c1ccc(nc1)[*:1] CCc1ccc(cc1)CN(C(=O)COc1ccc(F)cc1)[*:1]
CCc1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1 Fc1ccc(cc1)O[*:1] CCc1ccc(cc1)CN(C(=O)C[*:1])c1ccccn1
CCc1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1 CCc1ccc(cc1)C[*:1] O=C(COc1ccc(F)cc1)N(c1ccccn1)[*:1]
CCc1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1 CCc1ccc(cc1)[*:1] O=C(COc1ccc(F)cc1)N(C[*:1])c1ccccn1
CC[C@H](CSC)N(C)C(=O)c1ccc2c(c1)NC(=O)CO2 CSC[*:1] CC[C@H](N(C)C(=O)c1ccc2OCC(=O)Nc2c1)[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 c1cc2OCCOc2cc1[*:1] O=S(=O)(N1CCC[C@@H](C1)c1nc(no1)-c1ccc(Cl)cc1)[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 Clc1ccc(cc1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCC[C@@H](C1)c1nc(no1)[*:1]
Cc1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n1-c1ccccc1 CC(C)[*:1] Cc1nnc(S[C@@H](C(=O)NC(N)=O)[*:1])n1-c1ccccc1
Cc1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n1[*:1]
Cc1nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n1-c1ccccc1 NC(=O)NC(=O)[*:1] Cc1nnc(S[C@@H](C(C)C)[*:1])n1-c1ccccc1
Cc1cc(C)c(C(=O)NCCc2ccc(OC(F)(F)F)cc2)c(=O)[nH]1 FC(F)(F)[*:1] Cc1cc(C)c(C(=O)NCCc2ccc(cc2)O[*:1])c(=O)[nH]1
Cc1cc(C)c(C(=O)NCCc2ccc(OC(F)(F)F)cc2)c(=O)[nH]1 FC(F)(F)O[*:1] Cc1cc(C)c(C(=O)NCCc2ccc(cc2)[*:1])c(=O)[nH]1
CC[C@H](CCO)CNC(=O)c1cccc([N+](=O)[O-])c1C CC[C@H](CCO)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NC[*:1]
CC[C@H](CCO)CNC(=O)c1cccc([N+](=O)[O-])c1C OCC[*:1] CC[C@H](CNC(=O)c1cccc(c1C)[N+](=O)[O-])[*:1]
CC[C@H](CCO)CNC(=O)c1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CC[C@H](CCO)CNC(=O)c1cccc(c1C)[*:1]
COc1ccccc1CNS(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] COc1ccccc1CNS(=O)(=O)[*:1]
Cc1nc2ncnn2c(O)c1CCC(=O)[O-] O=C([O-])C[*:1] Cc1nc2ncnn2c(O)c1C[*:1]
Cc1nc2ncnn2c(O)c1CCC(=O)[O-] O=C([O-])CC[*:1] Cc1nc2ncnn2c(O)c1[*:1]
Cc1nc2ncnn2c(O)c1CCC(=O)[O-] O=C([O-])[*:1] Cc1nc2ncnn2c(O)c1CC[*:1]
Cc1cccc(-c2cnc(CNCCc3ccccc3F)s2)c1 Fc1ccccc1[*:1] Cc1cccc(c1)-c1cnc(CNCC[*:1])s1
Cc1cccc(-c2cnc(CNCCc3ccccc3F)s2)c1 Cc1cccc(c1)[*:1] Fc1ccccc1CCNCc1ncc(s1)[*:1]
C[C@@H]1Oc2ccccc2N(CC(=O)[O-])C1=O O=C([O-])[*:1] C[C@@H]1Oc2ccccc2N(C[*:1])C1=O
C[C@@H]1Oc2ccccc2N(CC(=O)[O-])C1=O O=C([O-])C[*:1] C[C@@H]1Oc2ccccc2N(C1=O)[*:1]
CC(C)[NH+](Cc1cnc2ccsc2c1)C1CCC1 CC(C)[*:1] c1cc2ncc(cc2s1)C[NH+](C1CCC1)[*:1]
CC(C)[NH+](Cc1cnc2ccsc2c1)C1CCC1 C1CC(C1)[*:1] CC(C)[NH+](Cc1cnc2ccsc2c1)[*:1]
Cn1nccc1C(=O)Nc1nc2c(ccc3ccccc32)s1 Cn1nccc1[*:1] O=C(Nc1nc2c(ccc3ccccc32)s1)[*:1]
O=C(Nc1cccnc1Cl)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 Clc1ncccc1[*:1] O=C(N[*:1])c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCCCC1
O=C(Nc1cccnc1Cl)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1cccnc1Cl)c1cc(ccc1N1CCOCC1)[*:1]
O=C(Nc1cccnc1Cl)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(Nc1cccnc1Cl)c1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1
O=C(Nc1cccnc1Cl)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 O=C(Nc1cccnc1Cl)[*:1] O=S(=O)(c1ccc(c(c1)[*:1])N1CCOCC1)N1CCCCC1
Cn1nnnc1-c1cccc(NC(=O)c2ccccc2Cl)c1 Clc1ccccc1[*:1] Cn1nnnc1-c1cccc(c1)NC(=O)[*:1]
Cn1nnnc1-c1cccc(NC(=O)c2ccccc2Cl)c1 Cn1nnnc1[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1Cl
CCOc1ccc(NC(=O)CNC(=O)c2cnc3ccc(C)cn23)cc1 CCO[*:1] Cc1ccc2ncc(C(=O)NCC(=O)Nc3ccc(cc3)[*:1])n2c1
c1ccc(Oc2cccc(CN3CCC([NH+]4CCCC4)CC3)c2)cc1 c1ccc(cc1)[*:1] c1cc(cc(c1)O[*:1])CN1CCC(CC1)[NH+]1CCCC1
c1ccc(Oc2cccc(CN3CCC([NH+]4CCCC4)CC3)c2)cc1 c1ccc(cc1)O[*:1] c1cc(cc(c1)[*:1])CN1CCC(CC1)[NH+]1CCCC1
Cc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)c(O)c1C C1CC1[*:1] Cc1ccc(C(=O)NC2CC[NH+](CC2)[*:1])c(O)c1C
CCCCN(C)S(=O)(=O)N1CC[NH+](CC(C)C)CC1 CCCC[*:1] CC(C)C[NH+]1CCN(CC1)S(=O)(=O)N(C)[*:1]
CCCCN(C)S(=O)(=O)N1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] CCCCN(C)S(=O)(=O)N1CC[NH+](CC1)[*:1]
CCCCN(C)S(=O)(=O)N1CC[NH+](CC(C)C)CC1 CCC[*:1] CC(C)C[NH+]1CCN(CC1)S(=O)(=O)N(C)C[*:1]
CCCCN(C)S(=O)(=O)N1CC[NH+](CC(C)C)CC1 CC(C)[*:1] CCCCN(C)S(=O)(=O)N1CC[NH+](CC1)C[*:1]
O=C(NC1CC1)c1cccc(NC(=O)N2CC=C(c3ccccc3Cl)CC2)c1 C1CC1[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)N1CC=C(CC1)c1ccccc1Cl
O=C(NC1CC1)c1cccc(NC(=O)N2CC=C(c3ccccc3Cl)CC2)c1 Clc1ccccc1[*:1] O=C(NC1CC1)c1cccc(c1)NC(=O)N1CC=C(CC1)[*:1]
O=C(NC1CC1)c1cccc(NC(=O)N2CC=C(c3ccccc3Cl)CC2)c1 O=C(NC1CC1)[*:1] O=C(Nc1cccc(c1)[*:1])N1CC=C(CC1)c1ccccc1Cl
Cc1ccccc1CNCCc1ccc(S(N)(=O)=O)cc1 Cc1ccccc1[*:1] NS(=O)(=O)c1ccc(cc1)CCNC[*:1]
Cc1ccccc1CNCCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cc1ccccc1CNCCc1ccc(cc1)[*:1]
CCSC1=NC(=O)C[C@@H](c2ccccc2)[C@H]1C#N c1ccc(cc1)[*:1] CCSC1=NC(=O)C[C@@H]([C@H]1C#N)[*:1]
CCCN[C@@H](C[NH+](C)C)c1ccc(C(F)(F)F)cc1 CCCN[*:1] C[NH+](C)C[C@@H](c1ccc(cc1)C(F)(F)F)[*:1]
CCCN[C@@H](C[NH+](C)C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCCN[C@@H](C[NH+](C)C)c1ccc(cc1)[*:1]
CCCN[C@@H](C[NH+](C)C)c1ccc(C(F)(F)F)cc1 CCC[*:1] C[NH+](C)C[C@H](N[*:1])c1ccc(cc1)C(F)(F)F
Cc1ccccc1NC(=O)C(=O)N1CCC(C(=O)N(C)C)CC1 CN(C)C(=O)[*:1] Cc1ccccc1NC(=O)C(=O)N1CCC(CC1)[*:1]
Cc1ccccc1NC(=O)C(=O)N1CCC(C(=O)N(C)C)CC1 Cc1ccccc1[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)C(=O)N[*:1]
COC(=O)c1cc(NC(=O)Nc2cc(-c3ncco3)ccc2C)ccc1C c1coc(n1)[*:1] COC(=O)c1cc(ccc1C)NC(=O)Nc1cc(ccc1C)[*:1]
COC(=O)c1cc(NC(=O)Nc2cc(-c3ncco3)ccc2C)ccc1C COC(=O)[*:1] Cc1ccc(cc1NC(=O)Nc1ccc(C)c(c1)[*:1])-c1ncco1
Cc1ccc(C(N)=O)c(NC2CCC(n3cnnc3)CC2)n1 NC(=O)[*:1] Cc1ccc(c(n1)NC1CCC(CC1)n1cnnc1)[*:1]
Cc1ccc(C(N)=O)c(NC2CCC(n3cnnc3)CC2)n1 c1nncn1[*:1] Cc1ccc(C(N)=O)c(n1)NC1CCC(CC1)[*:1]
Cc1ccc(OCC(=O)NNC(=O)Cc2ccsc2)cc1 c1cc(cs1)C[*:1] Cc1ccc(cc1)OCC(=O)NNC(=O)[*:1]
Cc1ccc(OCC(=O)NNC(=O)Cc2ccsc2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=O)Cc1ccsc1
Cc1ccc(OCC(=O)NNC(=O)Cc2ccsc2)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)OCC(=O)NNC(=O)C[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F c1cc(ccn1)[*:1] CC[C@H](N(C)C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F)[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F FC(F)(F)[*:1] CC[C@H](c1ccncc1)N(C)C(=O)C[C@@](O)(c1ccc(C)o1)[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F Cc1ccc(o1)[*:1] CC[C@H](c1ccncc1)N(C)C(=O)C[C@@](O)(C(F)(F)F)[*:1]
C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC(N)=O NC(=O)C[*:1] C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[*:1]
C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC(N)=O NC(=O)[*:1] C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[*:1]
O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCCCCCC3)n2)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])-c1ncn(C[NH+]2CCCCCCC2)n1
Cc1cc(=O)[nH]c(CCNC(=O)CN2CCN(c3ncccn3)CC2)n1 Cc1cc(=O)[nH]c(n1)[*:1] O=C(CN1CCN(CC1)c1ncccn1)NCC[*:1]
Cc1cc(=O)[nH]c(CCNC(=O)CN2CCN(c3ncccn3)CC2)n1 c1cnc(nc1)[*:1] Cc1cc(=O)[nH]c(CCNC(=O)CN2CCN(CC2)[*:1])n1
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C1 FC(F)(F)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Nc1ccn(n1)-c1ncccc1[*:1]
Cc1[nH]ncc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 Cc1[nH]ncc1[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCCC1)[*:1]
Cc1csc([C@@H](C)N(C)C(=O)[C@@H]2C=C(Cn3nc(C)cc3C)N=N2)n1 Cc1csc(n1)[C@@H](C)[*:1] Cc1cc(C)n(CC2=C[C@H](N=N2)C(=O)N(C)[*:1])n1
Cc1csc([C@@H](C)N(C)C(=O)[C@@H]2C=C(Cn3nc(C)cc3C)N=N2)n1 Cc1cc(C)n(n1)[*:1] Cc1csc(n1)[C@@H](C)N(C)C(=O)[C@@H]1C=C(C[*:1])N=N1
Cc1csc([C@@H](C)N(C)C(=O)[C@@H]2C=C(Cn3nc(C)cc3C)N=N2)n1 Cc1csc(n1)[*:1] Cc1cc(C)n(CC2=C[C@H](N=N2)C(=O)N(C)[C@H](C)[*:1])n1
Cc1csc([C@@H](C)N(C)C(=O)[C@@H]2C=C(Cn3nc(C)cc3C)N=N2)n1 Cc1cc(C)n(C[*:1])n1 Cc1csc(n1)[C@@H](C)N(C)C(=O)[C@@H]1C=C(N=N1)[*:1]
C=CCn1c(C2CC2)nn(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1=S C1CC1[*:1] C=CCn1c(nn(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1=S)[*:1]
C=CCn1c(C2CC2)nn(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1=S O=S1(=O)CC[C@H](C1)[*:1] C=CCn1c(nn(CN(C2CC2)[*:1])c1=S)C1CC1
C=CCn1c(C2CC2)nn(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1=S C=CC[*:1] O=S1(=O)CC[C@H](C1)N(Cn1nc(C2CC2)n(c1=S)[*:1])C1CC1
C=CCn1c(C2CC2)nn(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1=S C1CC1[*:1] C=CCn1c(nn(CN([C@@H]2CCS(=O)(=O)C2)[*:1])c1=S)C1CC1
Cc1nc(-c2ccco2)ccc1C(=O)N1CCN(CCO)CC1 OCC[*:1] Cc1nc(ccc1C(=O)N1CCN(CC1)[*:1])-c1ccco1
Cc1nc(-c2ccco2)ccc1C(=O)N1CCN(CCO)CC1 c1coc(c1)[*:1] Cc1nc(ccc1C(=O)N1CCN(CCO)CC1)[*:1]
CCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 CCC[*:1] Cc1cc(O[*:1])c(cc1C)S(=O)(=O)NCc1ccc2OCOc2c1
CCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 CCCO[*:1] Cc1cc(c(cc1C)[*:1])S(=O)(=O)NCc1ccc2OCOc2c1
C[C@@H]1C[C@@]2(CCO1)C(=N)NC(=O)N2CC1CC1 C1CC1[*:1] C[C@@H]1C[C@@]2(CCO1)C(=N)NC(=O)N2C[*:1]
C[C@@H]1C[C@@]2(CCO1)C(=N)NC(=O)N2CC1CC1 C1CC1C[*:1] C[C@@H]1C[C@@]2(CCO1)C(=N)NC(=O)N2[*:1]
CC(=O)N1CCN(Cc2nc(CCc3ccccc3)no2)CC1 c1ccc(cc1)C[*:1] CC(=O)N1CCN(CC1)Cc1nc(C[*:1])no1
CC(=O)N1CCN(Cc2nc(CCc3ccccc3)no2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)Cc1nc(CC[*:1])no1
Cc1cc(C)nc(N2CCC([NH+]3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)n1 Cc1cc(C)nc(n1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CC[NH+](CC1)C1CCN(CC1)[*:1]
Cc1cc(C)nc(N2CCC([NH+]3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)n1 Fc1ccc(cc1)[*:1] Cc1cc(C)nc(n1)N1CCC(CC1)[NH+]1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)c1csc(CNC(=O)/C=C/c2ccnc(Cl)c2)n1 CCOC(=O)[*:1] O=C(/C=C/c1ccnc(Cl)c1)NCc1nc(cs1)[*:1]
CCOC(=O)c1csc(CNC(=O)/C=C/c2ccnc(Cl)c2)n1 Clc1cc(ccn1)[*:1] CCOC(=O)c1csc(CNC(=O)C=C[*:1])n1
C[C@@H](CC(=O)[O-])N1C(=O)CCCC1=O O=C([O-])C[*:1] C[C@@H](N1C(=O)CCCC1=O)[*:1]
C[C@@H](CC(=O)[O-])N1C(=O)CCCC1=O O=C([O-])[*:1] C[C@@H](C[*:1])N1C(=O)CCCC1=O
CCCCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1 CCCC[*:1] O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H]2C(=O)N=C(N=C2N1)S[*:1]
CCCCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2C(=O)N[*:1]
CCCCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1 CCC[*:1] O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H]2C(=O)N=C(N=C2N1)SC[*:1]
Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)OCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[*:1]
Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1
Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 Clc1ccc(cc1Cl)C[*:1] Cc1cccc(c1)OCC(=O)N(Cc1ccccn1)[*:1]
Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 Clc1ccc(cc1Cl)[*:1] Cc1cccc(c1)OCC(=O)N(Cc1ccccn1)C[*:1]
Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 c1ccc(C[*:1])nc1 Cc1cccc(c1)OCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[*:1]
Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 Cc1cccc(c1)OC[*:1] O=C(N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1)[*:1]
Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1
C#CCNC(=O)COc1ccc(C[NH2+]C2CC2)nc1 C#CC[*:1] O=C(COc1ccc(C[NH2+]C2CC2)nc1)N[*:1]
C#CCNC(=O)COc1ccc(C[NH2+]C2CC2)nc1 C1CC1[*:1] C#CCNC(=O)COc1ccc(C[NH2+][*:1])nc1
C#CCNC(=O)COc1ccc(C[NH2+]C2CC2)nc1 C#CCNC(=O)[*:1] c1cc(C[NH2+]C2CC2)ncc1OC[*:1]
C[C@@H](NC(=O)NC1CCCCC1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)NC1CCCCC1)c1noc(n1)[*:1]
C[C@@H](NC(=O)NC1CCCCC1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NC1CCCCC1)c1noc(C[*:1])n1
C[C@@H](NC(=O)NC1CCCCC1)c1noc(Cc2ccccc2)n1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)N[*:1])c1noc(Cc2ccccc2)n1
CCSc1ccc(Cc2nnc(NC(=O)Cc3ccc(C)cc3)o2)cc1 Cc1ccc(cc1)[*:1] CCSc1ccc(cc1)Cc1nnc(NC(=O)C[*:1])o1
CCSc1ccc(Cc2nnc(NC(=O)Cc3ccc(C)cc3)o2)cc1 Cc1ccc(cc1)C[*:1] CCSc1ccc(cc1)Cc1nnc(NC(=O)[*:1])o1
CCSc1ccc(Cc2nnc(NC(=O)Cc3ccc(C)cc3)o2)cc1 CCS[*:1] Cc1ccc(cc1)CC(=O)Nc1nnc(Cc2ccc(cc2)[*:1])o1
CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CCCN1C(N)=O CC(C)(C)[*:1] NC(=O)N1CCC[C@H]1C(=O)NCCOc1ccccc1[*:1]
COc1ccc(F)cc1[C@H](C)N[C@@H](C(N)=O)c1ccccc1 NC(=O)[*:1] COc1ccc(F)cc1[C@H](C)N[C@@H](c1ccccc1)[*:1]
COc1ccc(F)cc1[C@H](C)N[C@@H](C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(F)cc1[C@H](C)N[C@@H](C(N)=O)[*:1]
Cc1nc2ncccn2c1CC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] Cc1nc2ncccn2c1CC(=O)Nc1cccc(c1)C(=O)N[*:1]
O=C(Nc1ccc(Cl)cc1)c1ccc(Cn2cccn2)o1 c1cnn(c1)[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(C[*:1])o1
O=C(Nc1ccc(Cl)cc1)c1ccc(Cn2cccn2)o1 c1cnn(c1)C[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(o1)[*:1]
O=C(Nc1ccc(Cl)cc1)c1ccc(Cn2cccn2)o1 Clc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(Cn2cccn2)o1
CCCc1cc(N2CC[NH2+]CC2)c2c(Cl)ccc(Cl)c2n1 CCC[*:1] Clc1ccc(Cl)c2c(cc(nc12)[*:1])N1CC[NH2+]CC1
C=CCNC(=O)C(=O)N/N=C(\C)CCc1ccccc1 C=CC[*:1] C/C(CCc1ccccc1)=N\NC(=O)C(=O)N[*:1]
C=CCNC(=O)C(=O)N/N=C(\C)CCc1ccccc1 c1ccc(cc1)[*:1] C=CCNC(=O)C(=O)N/N=C(\C)CC[*:1]
NC(=O)CN1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1 NC(=O)C[*:1] O=C(COc1ccccc1-c1ccccc1)N1CCN(CC1)[*:1]
NC(=O)CN1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1 NC(=O)[*:1] O=C(COc1ccccc1-c1ccccc1)N1CCN(CC1)C[*:1]
NC(=O)CN1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)CN1CCN(CC1)C(=O)COc1ccccc1[*:1]
CCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)CC1 CC(C)[*:1] CCC(=O)N1CCN(CC1)C(=O)[C@H]1C[C@H]1c1ccc(cc1)[*:1]
COc1cccc(-n2cc(C(=O)Nc3cccc(Cl)c3)c3ccccc3c2=O)c1 Clc1cccc(c1)[*:1] COc1cccc(c1)-n1cc(C(=O)N[*:1])c2ccccc2c1=O
COc1cccc(-n2cc(C(=O)Nc3cccc(Cl)c3)c3ccccc3c2=O)c1 COc1cccc(c1)[*:1] O=C(Nc1cccc(Cl)c1)c1cn(c(=O)c2ccccc12)[*:1]
Cn1nc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1NC(=O)c1cccs1 c1cn(cn1)[*:1] Cn1nc(cc1NC(=O)c1cccs1)C(=O)Nc1cccc(c1)C[*:1]
Cn1nc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1NC(=O)c1cccs1 O=C(N[*:1])c1cccs1 Cn1nc(cc1[*:1])C(=O)Nc1cccc(c1)Cn1ccnc1
Cn1nc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1NC(=O)c1cccs1 c1cn(cn1)C[*:1] Cn1nc(cc1NC(=O)c1cccs1)C(=O)Nc1cccc(c1)[*:1]
Cn1nc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1NC(=O)c1cccs1 c1csc(c1)[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)Nc1cccc(c1)Cn1ccnc1
Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NC[C@@H]2CCC[C@H](O)C2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@H](O)C2)n(n1)[*:1]
COC(=O)c1occc1Cn1cnc2c(cnn2-c2ccccc2)c1=O c1ccc(cc1)[*:1] COC(=O)c1occc1Cn1cnc2c(cnn2[*:1])c1=O
COC(=O)c1occc1Cn1cnc2c(cnn2-c2ccccc2)c1=O COC(=O)[*:1] O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccoc1[*:1]
O=C(NCC1(c2c(F)cccc2F)CCCC1)N[C@@H]1C=C[C@H](CO)C1 Fc1cccc(F)c1[*:1] O=C(NCC1(CCCC1)[*:1])N[C@@H]1C=C[C@H](CO)C1
C[C@@H](O)CC(C)(C)CNC(=O)N[C@H](c1ccc(F)cc1)C1CC1 C1CC1[*:1] C[C@@H](O)CC(C)(C)CNC(=O)N[C@H](c1ccc(F)cc1)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N[C@H](c1ccc(F)cc1)C1CC1 C[C@@H](O)[*:1] CC(C)(CNC(=O)N[C@H](c1ccc(F)cc1)C1CC1)C[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N[C@H](c1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] C[C@@H](O)CC(C)(C)CNC(=O)N[C@H](C1CC1)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N[C@H](c1ccc(F)cc1)C1CC1 C[C@@H](O)C[*:1] CC(C)(CNC(=O)N[C@H](c1ccc(F)cc1)C1CC1)[*:1]
CCN(C(=O)NCc1cc(Br)cs1)[C@@H](C)c1cccc(OC)c1 Brc1csc(c1)C[*:1] CCN(C(=O)N[*:1])[C@@H](C)c1cccc(c1)OC
CCN(C(=O)NCc1cc(Br)cs1)[C@@H](C)c1cccc(OC)c1 Brc1csc(c1)[*:1] CCN(C(=O)NC[*:1])[C@@H](C)c1cccc(c1)OC
COc1ccc(C(=O)NCCNc2ccccc2S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)C(=O)NCCNc1ccccc1[*:1]
COc1ccc(C(=O)NCCNc2ccccc2S(C)(=O)=O)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)c1ccccc1NCCNC(=O)[*:1]
O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)[*:1]
O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] O=C(CCC[*:1])N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1
O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)C[*:1] O=C(CC[*:1])N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1
O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 C1CO[C@H](C1)[*:1] O=C(CCCC1CCCC1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 C1CO[C@H](C1)C[*:1] O=C(CCCC1CCCC1)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)CCC[*:1] O=C(N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)[*:1]
O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)CC[*:1] O=C(C[*:1])N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1
NC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc2c1CCC2 NC(=O)[*:1] O=C(COc1ncnc2ccccc12)Nc1sc2CCCc2c1[*:1]
COCC1CC[NH+](Cc2ccc(C#N)o2)CC1 COC[*:1] N#Cc1ccc(C[NH+]2CCC(CC2)[*:1])o1
N#Cc1nccn1C[C@H](O)[C@H]([NH3+])Cc1ccccc1 c1ccc(cc1)[*:1] N#Cc1nccn1C[C@H](O)[C@H]([NH3+])C[*:1]
CC[C@H](NS(=O)(=O)c1ccccc1OC)c1cccs1 c1csc(c1)[*:1] CC[C@H](NS(=O)(=O)c1ccccc1OC)[*:1]
O=C([O-])Cc1ccc2c(c1)CCCC2 O=C([O-])[*:1] c1cc2CCCCc2cc1C[*:1]
O=C([O-])Cc1ccc2c(c1)CCCC2 O=C([O-])C[*:1] c1cc2CCCCc2cc1[*:1]
C=CCSc1nc(COc2ccc(Cl)cc2)n[nH]1 C=CC[*:1] Clc1ccc(cc1)OCc1n[nH]c(n1)S[*:1]
C=CCSc1nc(COc2ccc(Cl)cc2)n[nH]1 C=CCS[*:1] Clc1ccc(cc1)OCc1n[nH]c(n1)[*:1]
CC(C)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 CC(C)[*:1] CN(CC(=O)N(C)[*:1])S(=O)(=O)c1ccc(Cl)s1
CC(C)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC(C)N(C)C(=O)CN(C)S(=O)(=O)[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)N(C)Cc1csc2ccccc12 Cc1cc(F)ccc1[*:1] CN(Cc1csc2ccccc12)C(=O)C(=O)N[*:1]
CCN(C(=O)Nc1ccc(OC)c(OC)c1)[C@@H](C)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] CCN(C(=O)Nc1ccc(OC)c(c1)OC)[C@@H](C)[*:1]
CC(C)Oc1cccc([C@H](C)NC(=O)CC[C@@H](C)O)c1 C[C@@H](O)C[*:1] CC(C)Oc1cccc(c1)[C@H](C)NC(=O)C[*:1]
CC(C)Oc1cccc([C@H](C)NC(=O)CC[C@@H](C)O)c1 CC(C)[*:1] C[C@H](NC(=O)CC[C@@H](C)O)c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@H](C)NC(=O)CC[C@@H](C)O)c1 C[C@@H](O)[*:1] CC(C)Oc1cccc(c1)[C@H](C)NC(=O)CC[*:1]
CC(C)Oc1cccc([C@H](C)NC(=O)CC[C@@H](C)O)c1 CC(C)O[*:1] C[C@H](NC(=O)CC[C@@H](C)O)c1cccc(c1)[*:1]
CC(C)Oc1cccc([C@H](C)NC(=O)CC[C@@H](C)O)c1 C[C@@H](O)CC[*:1] CC(C)Oc1cccc(c1)[C@H](C)NC(=O)[*:1]
COc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccc(C)cc3c2=O)cc1 COc1ccc(cc1)C(=O)[*:1] Cc1ccc2c(c1)c(=O)c(cn2Cc1ccccc1F)[*:1]
COc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccc(C)cc3c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc2c(c1)c(=O)c(cn2Cc1ccccc1F)C(=O)[*:1]
COc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccc(C)cc3c2=O)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)C(=O)c1cn(c2ccc(C)cc2c1=O)[*:1]
COc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccc(C)cc3c2=O)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)C(=O)c1cn(C[*:1])c2ccc(C)cc2c1=O
Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)Nc4ccccc4C)CC3)nc3cccnc32)cc1 Cc1ccc(cc1)C[*:1] Cc1ccccc1NC(=O)N1CCN(CC1)c1nc2cccnc2n(c1=O)[*:1]
Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)Nc4ccccc4C)CC3)nc3cccnc32)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)Cn1c(=O)c(nc2cccnc21)N1CCN(CC1)C(=O)N[*:1]
Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)Nc4ccccc4C)CC3)nc3cccnc32)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)N1CCN(CC1)c1nc2cccnc2n(C[*:1])c1=O
CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(Br)cc1F CCc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(Br)cc1F
CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] CCc1ccccc1NC(=O)CN(C)C(=O)[*:1]
CCN(C)c1cccc(NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)c1 CCN(C)[*:1] COC[C@@H](NC(=O)Nc1cccc(c1)[*:1])c1ccc(F)c(F)c1
CCN(C)c1cccc(NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] CCN(C)c1cccc(c1)NC(=O)N[C@H](COC)[*:1]
CCN(C)c1cccc(NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)c1 COC[*:1] CCN(C)c1cccc(c1)NC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H](C)Sc1ccccc1 c1ccc(cc1)[*:1] Cc1oc(nc1CC(=O)NC[C@@H](C)S[*:1])-c1ccccc1
Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H](C)Sc1ccccc1 c1ccc(cc1)S[*:1] Cc1oc(nc1CC(=O)NC[C@@H](C)[*:1])-c1ccccc1
Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H](C)Sc1ccccc1 c1ccc(cc1)[*:1] Cc1oc(nc1CC(=O)NC[C@@H](C)Sc1ccccc1)[*:1]
C[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N[C@@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@H]1[*:1] C[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N[*:1]
O=C(c1ccoc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 c1cc(co1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl)[*:1]
O=C(c1ccoc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1[*:1] O=C(c1ccoc1)N1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)N3CCN([C@@H](C)c4ccccc4)CC3)CC2)cc1 C[C@@H](c1ccccc1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)CC(=O)N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)N3CCN([C@@H](C)c4ccccc4)CC3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] C[C@@H](c1ccccc1)N1CCN(CC1)C(=O)CN1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)N3CCN([C@@H](C)c4ccccc4)CC3)CC2)cc1 CC(=O)[*:1] C[C@@H](c1ccccc1)N1CCN(CC1)C(=O)CN1CCN(CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)N3CCN([C@@H](C)c4ccccc4)CC3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)CC(=O)N1CCN(CC1)[C@@H](C)[*:1]
O=C(Nc1cn[nH]c1)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(Nc1cn[nH]c1)C(=O)Nc1cnc(s1)[*:1]
O=C(Nc1cn[nH]c1)C(=O)Nc1cnc(-c2ccccc2)s1 c1n[nH]cc1[*:1] O=C(Nc1cnc(s1)-c1ccccc1)C(=O)N[*:1]
Cc1ccc(CNC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nccn2nc(cc12)-c1ccccc1)NC[*:1]
Cc1ccc(CNC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1 Cc1ccc(cc1)C[*:1] O=C(CSc1nccn2nc(cc12)-c1ccccc1)N[*:1]
Cc1ccc(CNC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)CSc1nccn2nc(cc12)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)Cc1coc(n1)[*:1]
C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(cc1)S(=O)(=O)NC[*:1]
C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(cc1)S(=O)(=O)N[*:1]
CCNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CCNC(=O)NNC(=O)c1cn(nc1-c1ccc(Cl)cc1)[*:1]
CCNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 CCNC(=O)NNC(=O)[*:1] Clc1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
CCNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCNC(=O)NNC(=O)c1cn(nc1[*:1])-c1ccccc1
COC(=O)/C(Br)=C/c1cccc(/C=C(\Br)C(=O)OC)c1 COC(=O)[*:1] COC(=O)/C(Br)=C/c1cccc(/C=C(\Br)[*:1])c1
O=C(COc1ccc(Cl)cc1)NCC1CCN(C(=O)Oc2ccccc2)CC1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])NCC1CCN(CC1)C(=O)Oc1ccccc1
O=C(COc1ccc(Cl)cc1)NCC1CCN(C(=O)Oc2ccccc2)CC1 Clc1ccc(cc1)OC[*:1] O=C(Oc1ccccc1)N1CCC(CC1)CNC(=O)[*:1]
O=C(COc1ccc(Cl)cc1)NCC1CCN(C(=O)Oc2ccccc2)CC1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])NCC1CCN(CC1)C(=O)Oc1ccccc1
O=C(COc1ccc(Cl)cc1)NCC1CCN(C(=O)Oc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)NCC1CCN(CC1)C(=O)O[*:1]
N#CCc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] N#CCc1ccc(cc1)S(=O)(=O)NC[*:1]
N#CCc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 N#CC[*:1] O=S(=O)(NCc1ccccc1Cl)c1ccc(cc1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(N2CCCC2)[nH+]c1 c1csc(c1)C[*:1] C[C@@H](NC(=O)Nc1ccc([nH+]c1)N1CCCC1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(N2CCCC2)[nH+]c1 c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccc([nH+]c1)N1CCCC1
C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(N2CCCC2)[nH+]c1 C1CCN(C1)[*:1] C[C@@H](Cc1cccs1)NC(=O)Nc1ccc([nH+]c1)[*:1]
C/C=C/c1ccc(OCCN2C[C@@H](C)O[C@H](C)C2)c(OC)c1 CC=C[*:1] COc1cc(ccc1OCCN1C[C@@H](C)O[C@H](C)C1)[*:1]
CC(C)c1nn(C)c(Cl)c1[C@H](O)c1cccc(Cl)c1 CC(C)[*:1] Cn1nc(c(c1Cl)[C@H](O)c1cccc(Cl)c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](C[S@@](=O)c2cc(Cl)ncn2)C1 Clc1cc(ncn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)C[S@@](=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](C[S@@](=O)c2cc(Cl)ncn2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](C1)C[S@@](=O)c1cc(Cl)ncn1
O=C(CSc1n[nH]c(N/N=C/c2ccccc2)n1)Nc1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])Nc1ccc(Cl)cc1Cl
O=C(CSc1n[nH]c(N/N=C/c2ccccc2)n1)Nc1ccc(Cl)cc1Cl C(=N/N[*:1])\c1ccccc1 O=C(CSc1n[nH]c(n1)[*:1])Nc1ccc(Cl)cc1Cl
O=C(CSc1n[nH]c(N/N=C/c2ccccc2)n1)Nc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1ccccc1)N[*:1]
COCCN(C)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 COC[*:1] CN(C[*:1])C(=O)c1cnn(c1)-c1ccc(Cl)cc1
COCCN(C)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 COCC[*:1] CN(C(=O)c1cnn(c1)-c1ccc(Cl)cc1)[*:1]
CCc1ccccc1NC(=O)C(=O)NCCCc1n[nH]c(N)c1C#N CCc1ccccc1[*:1] N#Cc1c(CCCNC(=O)C(=O)N[*:1])n[nH]c1N
N#CCc1ccccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2 N#CC[*:1] O=C(NNC(=O)c1ccccc1[*:1])c1ccc2OCOc2c1
Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])C2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nc2sccn2c1[N+](=O)[O-]
Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])C2)nc1 O=[N+]([O-])[*:1] Cc1ccc(nc1)NC(=O)[C@@H]1CCCN(C1)c1nc2sccn2c1[*:1]
CNC(=O)CCCN(C)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 CNC(=O)CC[*:1] CN(C[*:1])C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C
CNC(=O)CCCN(C)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 CNC(=O)C[*:1] CN(CC[*:1])C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C
CNC(=O)CCCN(C)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 CNC(=O)[*:1] CN(CCC[*:1])C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C
Cc1nc(C)n(CCCNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)n1 c1ccc(cc1)[*:1] Cc1nc(C)n(CCCNC(=O)c2ccc3nc(cn3c2)[*:1])n1
Cc1nc(C)n(CCCNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)n1 Cc1nc(C)n(C[*:1])n1 O=C(NCC[*:1])c1ccc2nc(cn2c1)-c1ccccc1
Cc1nc(C)n(CCCNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)n1 Cc1nc(C)n(n1)[*:1] O=C(NCCC[*:1])c1ccc2nc(cn2c1)-c1ccccc1
Cc1nc(C)n(CCCNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)n1 Cc1nc(C)n(CC[*:1])n1 O=C(NC[*:1])c1ccc2nc(cn2c1)-c1ccccc1
O=C([O-])CCC(=O)N1CCC(c2nnc3ccccn23)CC1 O=C([O-])C[*:1] O=C(C[*:1])N1CCC(CC1)c1nnc2ccccn12
O=C([O-])CCC(=O)N1CCC(c2nnc3ccccn23)CC1 O=C([O-])CC[*:1] O=C(N1CCC(CC1)c1nnc2ccccn12)[*:1]
O=C([O-])CCC(=O)N1CCC(c2nnc3ccccn23)CC1 O=C([O-])[*:1] O=C(CC[*:1])N1CCC(CC1)c1nnc2ccccn12
C[C@@H](Sc1ccccc1S(C)(=O)=O)C(=O)Nc1cccc(F)c1 CS(=O)(=O)[*:1] C[C@@H](Sc1ccccc1[*:1])C(=O)Nc1cccc(F)c1
C[C@@H](Sc1ccccc1S(C)(=O)=O)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](Sc1ccccc1S(C)(=O)=O)C(=O)N[*:1]
COC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cc1 Fc1ccc(cc1Cl)[*:1] COC(=O)c1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
COC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cc1 COC(=O)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccc(F)c(Cl)c1
COc1ccc(C2(C(=O)NCC3CC[NH+](Cc4ccsc4)CC3)CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1CC[NH+](CC1)Cc1ccsc1)C1(CCOCC1)[*:1]
COc1ccc(C2(C(=O)NCC3CC[NH+](Cc4ccsc4)CC3)CCOCC2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)C1(CCOCC1)C(=O)NCC1CC[NH+](CC1)C[*:1]
CCC(=O)Nc1cccc(NC(=O)NCCS(=O)(=O)CC)c1 CCS(=O)(=O)C[*:1] CCC(=O)Nc1cccc(c1)NC(=O)NC[*:1]
CCC(=O)Nc1cccc(NC(=O)NCCS(=O)(=O)CC)c1 CCS(=O)(=O)CC[*:1] CCC(=O)Nc1cccc(c1)NC(=O)N[*:1]
CCC(=O)Nc1cccc(NC(=O)NCCS(=O)(=O)CC)c1 CCS(=O)(=O)[*:1] CCC(=O)Nc1cccc(c1)NC(=O)NCC[*:1]
CCC(=O)Nc1cccc(NC(=O)NCCS(=O)(=O)CC)c1 CCC(=O)N[*:1] CCS(=O)(=O)CCNC(=O)Nc1cccc(c1)[*:1]
O=C(Nc1ccc(F)cc1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 Fc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)Cc1c[nH]c2ccccc12
O=C(Nc1ccc(F)cc1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 c1ccc2c(c[nH]c2c1)[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CCCN(C1)C(=O)C[*:1]
COc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F O=[N+]([O-])[*:1] COc1cc(ccc1OC(F)F)C(=O)/C=C/c1ccc(cc1)[*:1]
COc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
COc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
O=S(=O)(NCCC(F)(F)F)c1ccc(Br)cc1 FC(F)(F)C[*:1] O=S(=O)(NC[*:1])c1ccc(Br)cc1
O=S(=O)(NCCC(F)(F)F)c1ccc(Br)cc1 FC(F)(F)[*:1] O=S(=O)(NCC[*:1])c1ccc(Br)cc1
Cc1ccc([C@H](C)NC(=O)N2CCCN(c3nccs3)CC2)cc1F c1csc(n1)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N1CCCN(CC1)[*:1]
Cc1ccc([C@H](C)NC(=O)N2CCCN(c3nccs3)CC2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](NC(=O)N1CCCN(CC1)c1nccs1)[*:1]
N#Cc1ccc(NC(=O)C(=O)NCc2ccc(COc3ccccc3)cc2)cc1 c1ccc(cc1)OC[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)NCc1ccc(cc1)[*:1]
N#Cc1ccc(NC(=O)C(=O)NCc2ccc(COc3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)NCc1ccc(cc1)CO[*:1]
N#Cc1ccc(NC(=O)C(=O)NCc2ccc(COc3ccccc3)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)COc1ccccc1)C(=O)N[*:1]
N#Cc1ccc(NC(=O)C(=O)NCc2ccc(COc3ccccc3)cc2)cc1 c1ccc(cc1)O[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)NCc1ccc(cc1)C[*:1]
COCCC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccccn3)nc2C)CC1 c1ccc(nc1)[*:1] COCCC(=O)N1CCN(CC1)S(=O)(=O)c1cnc(nc1C)[*:1]
COCCC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccccn3)nc2C)CC1 COC[*:1] Cc1nc(ncc1S(=O)(=O)N1CCN(CC1)C(=O)C[*:1])-c1ccccn1
COCCC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccccn3)nc2C)CC1 COCC[*:1] Cc1nc(ncc1S(=O)(=O)N1CCN(CC1)C(=O)[*:1])-c1ccccn1
CCN(Cc1ccccn1)C(=O)/C=C/c1cccc(Cl)c1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)/C=C/c1cccc(Cl)c1
CCN(Cc1ccccn1)C(=O)/C=C/c1cccc(Cl)c1 c1ccc(C[*:1])nc1 CCN(C(=O)/C=C/c1cccc(Cl)c1)[*:1]
CCN(Cc1ccccn1)C(=O)/C=C/c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCN(Cc1ccccn1)C(=O)C=C[*:1]
C[C@H]([NH2+]CCC[S@@](C)=O)c1nccs1 C[S@@](=O)C[*:1] C[C@H]([NH2+]CC[*:1])c1nccs1
C[C@H]([NH2+]CCC[S@@](C)=O)c1nccs1 C[S@@](=O)[*:1] C[C@H]([NH2+]CCC[*:1])c1nccs1
C[C@H](OC(=O)C/C=C/c1ccccc1F)c1ccccn1 Fc1ccccc1[*:1] C[C@H](OC(=O)CC=C[*:1])c1ccccn1
C[C@H](OC(=O)C/C=C/c1ccccc1F)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](OC(=O)C/C=C/c1ccccc1F)[*:1]
C[C@H](CNC(=O)NCCc1nnc2n1CCC2)N(C)c1ccccc1 C1Cc2nnc(n2C1)[*:1] C[C@H](CNC(=O)NCC[*:1])N(C)c1ccccc1
C[C@H](CNC(=O)NCCc1nnc2n1CCC2)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@H](CNC(=O)NCCc1nnc2CCCn21)[*:1]
C[C@H](CNC(=O)NCCc1nnc2n1CCC2)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)NCCc1nnc2CCCn21)N(C)[*:1]
CCNC(=O)CNS(=O)(=O)c1cc(N)c(F)cc1C CCNC(=O)[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)NC[*:1]
CCNC(=O)CNS(=O)(=O)c1cc(N)c(F)cc1C CCNC(=O)C[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)N[*:1]
CCN1CC(=O)Nc2cc(C(=O)NC[C@H](C)CN3CCOCC3)ccc21 C1CN(CCO1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)NC[C@H](C)C[*:1]
CCN1CC(=O)Nc2cc(C(=O)NC[C@H](C)CN3CCOCC3)ccc21 C1CN(CCO1)C[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)NC[C@H](C)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2C)c1 CC(=O)N[*:1] C[C@H]1C[C@H]1C(=O)Nc1cc(ccc1F)[*:1]
Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 Cc1ccc(C=C[*:1])cc1 Cc1cccc(c1)-c1noc(n1)[C@@H]1CCCN1C(=O)[*:1]
Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc(no2)[*:1])cc1
Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)-c1noc(n1)[C@@H]1CCCN1C(=O)C=C[*:1]
CC1(C)CON(Cc2ccc(N3C(=O)c4cccnc4C3=O)cc2Cl)C1=O CC1(C)CON(C[*:1])C1=O O=C1c2cccnc2C(=O)N1c1ccc(c(Cl)c1)[*:1]
Cc1cccc(NC(=O)CN(C)S(C)(=O)=O)c1C CN(S(C)(=O)=O)[*:1] Cc1cccc(NC(=O)C[*:1])c1C
C[C@H](S[C@@H](C)[C@@H](C)O)C(=O)NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](S[C@@H](C)[C@@H](C)O)C(=O)NC(=O)N[*:1]
C[C@H](S[C@@H](C)[C@@H](C)O)C(=O)NC(=O)Nc1ccccc1 C[C@@H](O)[*:1] C[C@H](S[C@@H](C)[*:1])C(=O)NC(=O)Nc1ccccc1
C[NH2+]C/C(=C\c1c(C)nc2scc(C)n12)C(C)C CC(C)[*:1] C[NH2+]C/C(=C\c1c(C)nc2scc(C)n12)[*:1]
CCC[NH2+][C@@H](COC)[C@@H]1COc2ccccc2O1 COC[*:1] CCC[NH2+][C@@H]([C@@H]1COc2ccccc2O1)[*:1]
CCC[NH2+][C@@H](COC)[C@@H]1COc2ccccc2O1 CCC[*:1] COC[C@H]([NH2+][*:1])[C@@H]1COc2ccccc2O1
CCc1cccc(OC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)c1 CC(=O)N[*:1] CCc1cccc(c1)OC(=O)[C@@H](C)Sc1ccc(cc1)[*:1]
CCc1cccc(OC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)c1 CCc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)S[C@H](C)C(=O)O[*:1]
Cc1cccc(Nc2cncc([C@@H]3CCCN3CCc3ccccc3)n2)n1 c1ccc(cc1)CC[*:1] Cc1cccc(n1)Nc1cncc(n1)[C@@H]1CCCN1[*:1]
Cc1cccc(Nc2cncc([C@@H]3CCCN3CCc3ccccc3)n2)n1 Cc1cccc(n1)[*:1] c1ccc(cc1)CCN1CCC[C@H]1c1cncc(n1)N[*:1]
Cc1cccc(Nc2cncc([C@@H]3CCCN3CCc3ccccc3)n2)n1 c1ccc(cc1)[*:1] Cc1cccc(n1)Nc1cncc(n1)[C@@H]1CCCN1CC[*:1]
Cc1cccc(Nc2cncc([C@@H]3CCCN3CCc3ccccc3)n2)n1 Cc1cccc(n1)N[*:1] c1ccc(cc1)CCN1CCC[C@H]1c1cncc(n1)[*:1]
Cc1cccc(Nc2cncc([C@@H]3CCCN3CCc3ccccc3)n2)n1 c1ccc(cc1)C[*:1] Cc1cccc(n1)Nc1cncc(n1)[C@@H]1CCCN1C[*:1]
C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] O=C([O-])[*:1] C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)[*:1]
CCOC(=O)c1nc(-c2cccc(C)c2)no1 CCOC(=O)[*:1] Cc1cccc(c1)-c1noc(n1)[*:1]
Cc1ccc(C(C)(C)CN(C)C(=O)Nc2ccccn2)cc1 Cc1ccc(cc1)[*:1] CN(CC(C)(C)[*:1])C(=O)Nc1ccccn1
Cc1ccc(C(C)(C)CN(C)C(=O)Nc2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)C(C)(C)CN(C)C(=O)N[*:1]
COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)COC(=O)c2ccc3C(=O)N(C)C(=O)c3c2)c(C)c1[*:1]
N#Cc1c(NC(=O)c2cccc(-n3cnnn3)c2)sc2c1CCCCC2 c1nnnn1[*:1] N#Cc1c(NC(=O)c2cccc(c2)[*:1])sc2CCCCCc21
CC(C)c1ccc(CCCC(=O)[O-])cc1 CC(C)[*:1] O=C([O-])CCCc1ccc(cc1)[*:1]
CC(C)c1ccc(CCCC(=O)[O-])cc1 O=C([O-])CC[*:1] CC(C)c1ccc(cc1)C[*:1]
CC(C)c1ccc(CCCC(=O)[O-])cc1 O=C([O-])C[*:1] CC(C)c1ccc(cc1)CC[*:1]
CC(C)c1ccc(CCCC(=O)[O-])cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)CCC[*:1]
C/C=C/C[S@](=O)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C C/C=C/C[*:1] C[C@H]1CCC[C@@H](NC(=O)C[S@@](=O)[*:1])[C@H]1C
C/C=C/C[S@](=O)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C CC=C[*:1] C[C@H]1CCC[C@@H](NC(=O)C[S@@](=O)C[*:1])[C@H]1C
CO[C@H]1CCCN(C(=O)NCc2cccnc2OCC(F)(F)F)C1 FC(F)(F)[*:1] CO[C@H]1CCCN(C1)C(=O)NCc1cccnc1OC[*:1]
CO[C@H]1CCCN(C(=O)NCc2cccnc2OCC(F)(F)F)C1 FC(F)(F)C[*:1] CO[C@H]1CCCN(C1)C(=O)NCc1cccnc1O[*:1]
CO[C@H]1CCCN(C(=O)NCc2cccnc2OCC(F)(F)F)C1 FC(F)(F)CO[*:1] CO[C@H]1CCCN(C1)C(=O)NCc1cccnc1[*:1]
O=C(Cn1ncccc1=O)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1ncccc1=O)NC(c1ccccc1)[*:1]
O=C(Cn1ncccc1=O)NC(c1ccccc1)c1ccccc1 O=c1cccnn1[*:1] O=C(C[*:1])NC(c1ccccc1)c1ccccc1
O=C(Cn1ncccc1=O)NC(c1ccccc1)c1ccccc1 O=c1cccnn1C[*:1] O=C(NC(c1ccccc1)c1ccccc1)[*:1]
Cc1ccnn1CC(=O)N(C)Cc1csc(-c2cccs2)n1 Cc1ccnn1[*:1] CN(Cc1csc(n1)-c1cccs1)C(=O)C[*:1]
Cc1ccnn1CC(=O)N(C)Cc1csc(-c2cccs2)n1 c1csc(c1)[*:1] Cc1ccnn1CC(=O)N(C)Cc1csc(n1)[*:1]
Cc1ccnn1CC(=O)N(C)Cc1csc(-c2cccs2)n1 Cc1ccnn1C[*:1] CN(Cc1csc(n1)-c1cccs1)C(=O)[*:1]
CC[C@H](C)C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H](C)C(=O)NNc1ccc(cc1[*:1])C(F)(F)F
CC[C@H](C)C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] CC[C@H](C)[*:1] O=C(NNc1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
CC[C@H](C)C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] CC[C@H](C)C(=O)NNc1ccc(cc1[N+](=O)[O-])[*:1]
CC[NH+]1CCN(c2cc(CNc3ccc(Cl)cn3)cc[nH+]2)CC1 Clc1ccc(nc1)[*:1] CC[NH+]1CCN(CC1)c1cc(cc[nH+]1)CN[*:1]
O=C(NCCC(=O)N1CCC1)c1n[nH]c2ccccc12 O=C(N1CCC1)[*:1] O=C(NCC[*:1])c1n[nH]c2ccccc12
CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OC(C)C)cc1 CC(C)[*:1] CCOc1ccc(cc1)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O[*:1]
CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OC(C)C)cc1 CC(C)OC(=O)[*:1] CCOc1ccc(cc1)NC(=O)[C@@H]1CC=CC[C@H]1[*:1]
CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OC(C)C)cc1 CCO[*:1] CC(C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)[C@H]3CC34CCOCC4)ccc21 CCC[*:1] O=C(Nc1ccc2c(c1)CCC(=O)N2[*:1])[C@H]1CC12CCOCC2
Cc1cccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c1C Fc1cc(F)cc(c1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(c1cc(F)cc(F)c1)N1CCN(CC1)[*:1]
CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 N#Cc1ccc(cc1Cl)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc2ccccc2c1
C[C@@H](CCCl)Sc1nccn(C(C)(C)C)c1=O ClCC[*:1] C[C@@H](Sc1nccn(c1=O)C(C)(C)C)[*:1]
C[C@@H](CCCl)Sc1nccn(C(C)(C)C)c1=O CC(C)(C)[*:1] C[C@@H](CCCl)Sc1nccn(c1=O)[*:1]
C[C@@H](CCCl)Sc1nccn(C(C)(C)C)c1=O C[C@@H](CCCl)[*:1] CC(C)(C)n1ccnc(S[*:1])c1=O
CC[NH+]1CCN([C@@H](C)CNC(=O)/C=C/c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CC[NH+]1CCN(CC1)[C@@H](C)CNC(=O)C=C[*:1]
COc1ccc(CCC(=O)N2CCC[NH+](Cc3ccn(C(C)C)n3)CC2)cc1 COc1ccc(cc1)C[*:1] CC(C)n1ccc(C[NH+]2CCCN(CC2)C(=O)C[*:1])n1
COc1ccc(CCC(=O)N2CCC[NH+](Cc3ccn(C(C)C)n3)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)n1ccc(C[NH+]2CCCN(CC2)C(=O)CC[*:1])n1
COc1ccc(CCC(=O)N2CCC[NH+](Cc3ccn(C(C)C)n3)CC2)cc1 CC(C)n1ccc(n1)[*:1] COc1ccc(cc1)CCC(=O)N1CCC[NH+](CC1)C[*:1]
COc1ccc(CCC(=O)N2CCC[NH+](Cc3ccn(C(C)C)n3)CC2)cc1 CC(C)[*:1] COc1ccc(cc1)CCC(=O)N1CCC[NH+](CC1)Cc1ccn(n1)[*:1]
CCc1noc(CC)c1CNC(=O)Cc1nc(-c2cccs2)oc1C c1csc(c1)[*:1] CCc1noc(CC)c1CNC(=O)Cc1nc(oc1C)[*:1]
N#CCOc1cccc(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1 O[C@@H](C[*:1])c1ccccc1 N#CCOc1cccc(c1)CC(=O)N1CCC[C@@H]1[*:1]
N#CCOc1cccc(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])N1CCC[C@H]1C[C@H](O)c1ccccc1
N#CCOc1cccc(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])N1CCC[C@H]1C[C@H](O)c1ccccc1
N#CCOc1cccc(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1 O[C@H](c1ccccc1)[*:1] N#CCOc1cccc(c1)CC(=O)N1CCC[C@H]1C[*:1]
N#CCOc1cccc(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] N#CCOc1cccc(c1)CC(=O)N1CCC[C@H]1C[C@H](O)[*:1]
Cc1ccc(S(=O)(=O)N/N=C/C2=Cc3ccccc3O[C@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1Oc2ccccc2C=C1/C=N/NS(=O)(=O)[*:1]
COCCCNC(=O)C1CC[NH+](C2CCCCCCC2)CC1 COC[*:1] O=C(NCC[*:1])C1CC[NH+](CC1)C1CCCCCCC1
COCCCNC(=O)C1CC[NH+](C2CCCCCCC2)CC1 COCC[*:1] O=C(NC[*:1])C1CC[NH+](CC1)C1CCCCCCC1
COCCCNC(=O)C1CC[NH+](C2CCCCCCC2)CC1 COCCC[*:1] O=C(N[*:1])C1CC[NH+](CC1)C1CCCCCCC1
COc1ccc(NC(=O)c2ccccc2NC(=O)/C(C)=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)c1ccccc1NC(=O)C(C)=C[*:1]
COc1ccc(NC(=O)c2ccccc2NC(=O)/C(C)=C/c2ccccc2)cc1 CC(=Cc1ccccc1)[*:1] COc1ccc(cc1)NC(=O)c1ccccc1NC(=O)[*:1]
COc1ccc(NC(=O)c2ccccc2NC(=O)/C(C)=C/c2ccccc2)cc1 COc1ccc(cc1)[*:1] C/C(=C\c1ccccc1)C(=O)Nc1ccccc1C(=O)N[*:1]
CC(C)N(CC1CC1)c1nc(Cl)ncc1F C1CC1C[*:1] CC(C)N(c1nc(Cl)ncc1F)[*:1]
CC(C)N(CC1CC1)c1nc(Cl)ncc1F C1CC1[*:1] CC(C)N(C[*:1])c1nc(Cl)ncc1F
CC(C)N(CC1CC1)c1nc(Cl)ncc1F CC(C)[*:1] Fc1cnc(Cl)nc1N(CC1CC1)[*:1]
C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1cccc(Br)c1 Cc1ccc(cc1)[*:1] C/C(=N\N1CC[NH+](CC1)C[*:1])c1cccc(Br)c1
C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1cccc(Br)c1 Cc1ccc(cc1)C[*:1] C/C(=N\N1CC[NH+](CC1)[*:1])c1cccc(Br)c1
C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CC(=NN1CC[NH+](CC1)Cc1ccc(C)cc1)[*:1]
O=C(NCC(=O)N1CCc2ccccc2C1)NC1(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(NCC(=O)N1CCc2ccccc2C1)NC1(CC1)[*:1]
O=C(CN1CC=C(c2ccc(O)cc2)CC1)NCCc1cccs1 Oc1ccc(cc1)[*:1] O=C(CN1CC=C(CC1)[*:1])NCCc1cccs1
O=C(CN1CC=C(c2ccc(O)cc2)CC1)NCCc1cccs1 c1csc(c1)[*:1] O=C(CN1CC=C(CC1)c1ccc(O)cc1)NCC[*:1]
O=C(CN1CC=C(c2ccc(O)cc2)CC1)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(CN1CC=C(CC1)c1ccc(O)cc1)N[*:1]
O=C(CN1CC=C(c2ccc(O)cc2)CC1)NCCc1cccs1 c1csc(c1)C[*:1] O=C(CN1CC=C(CC1)c1ccc(O)cc1)NC[*:1]
C/C=C/C[S@@](=O)[C@@H](C)C(=O)Nc1ccccc1CC C/C=C/C[*:1] CCc1ccccc1NC(=O)[C@H](C)[S@](=O)[*:1]
C/C=C/C[S@@](=O)[C@@H](C)C(=O)Nc1ccccc1CC CC=C[*:1] CCc1ccccc1NC(=O)[C@H](C)[S@](=O)C[*:1]
CCc1ccc([C@H](C)CC(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 CCc1ccc(cc1)[*:1] C[C@H](CC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[*:1]
CCc1ccc([C@H](C)CC(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 NC(=O)[*:1] CCc1ccc(cc1)[C@H](C)CC(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCCc1ccc([C@@H]([NH2+]CC)[C@@H]2CCO[C@@H]2C)cc1 CCC[*:1] CC[NH2+][C@H](c1ccc(cc1)C[*:1])[C@@H]1CCO[C@@H]1C
CCCCc1ccc([C@@H]([NH2+]CC)[C@@H]2CCO[C@@H]2C)cc1 CCCC[*:1] CC[NH2+][C@H](c1ccc(cc1)[*:1])[C@@H]1CCO[C@@H]1C
COc1ccc(-n2ccnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(NC1CC1)[C@H](Sc1nccn1[*:1])c1ccccc1
COc1ccc(-n2ccnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 O=C(NC1CC1)[*:1] COc1ccc(cc1)-n1ccnc1S[C@@H](c1ccccc1)[*:1]
COc1ccc(-n2ccnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 C1CC1[*:1] COc1ccc(cc1)-n1ccnc1S[C@@H](C(=O)N[*:1])c1ccccc1
COc1ccc(-n2ccnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-n1ccnc1S[C@@H](C(=O)NC1CC1)[*:1]
Cc1n[nH]c(C(=O)NCCC(N)=O)n1 NC(=O)C[*:1] Cc1n[nH]c(n1)C(=O)NC[*:1]
Cc1n[nH]c(C(=O)NCCC(N)=O)n1 NC(=O)[*:1] Cc1n[nH]c(n1)C(=O)NCC[*:1]
CCOc1ccc(NC(=O)NCCCN2CCOCC2)cc1F C1CN(CCO1)[*:1] CCOc1ccc(cc1F)NC(=O)NCCC[*:1]
CCOc1ccc(NC(=O)NCCCN2CCOCC2)cc1F C1CN(CCO1)C[*:1] CCOc1ccc(cc1F)NC(=O)NCC[*:1]
CCOc1ccc(NC(=O)NCCCN2CCOCC2)cc1F CCO[*:1] O=C(NCCCN1CCOCC1)Nc1ccc(c(F)c1)[*:1]
Cc1cc(C(=O)N2CCC(=O)Nc3ccccc32)no1 Cc1cc(no1)[*:1] O=C1CCN(C(=O)[*:1])c2ccccc2N1
C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CN(C)CCO1 c1cc(cs1)[*:1] C[C@@H](C[*:1])[NH2+]C[C@H]1CN(C)CCO1
COc1cccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-c1ccc(F)cc1
COc1cccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)c1 COc1cccc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-c1ccc(F)cc1
COc1cccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CCCc4cccc2c43)s1 CC(=O)N[*:1] O=S(=O)(N[C@@H]1C[C@H]2CCCc3cccc1c32)c1ccc(C[*:1])s1
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CCCc4cccc2c43)s1 CC(=O)NC[*:1] O=S(=O)(N[C@@H]1C[C@H]2CCCc3cccc1c32)c1ccc(s1)[*:1]
C[C@@H]1CN(C(=O)Cn2cc(SCc3cccc(C(F)(F)F)c3)c3ccccc32)C[C@@H](C)O1 FC(F)(F)c1cccc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Cn1cc(SC[*:1])c2ccccc21
C[C@@H]1CN(C(=O)Cn2cc(SCc3cccc(C(F)(F)F)c3)c3ccccc32)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Cn1cc(SCc2cccc(c2)[*:1])c2ccccc21
Cc1cccc2[nH]cc(CCNC(=O)c3nccnc3C(N)=O)c12 NC(=O)[*:1] Cc1cccc2[nH]cc(CCNC(=O)c3nccnc3[*:1])c12
CC1=C(C(=O)N2CCOCC2)[C@@H](c2csc(C(C)C)n2)NC(=S)N1C O=C(N1CCOCC1)[*:1] CC1=C([C@H](NC(=S)N1C)c1csc(n1)C(C)C)[*:1]
CC1=C(C(=O)N2CCOCC2)[C@@H](c2csc(C(C)C)n2)NC(=S)N1C CC(C)[*:1] CC1=C(C(=O)N2CCOCC2)[C@H](NC(=S)N1C)c1csc(n1)[*:1]
CC1=C(C(=O)N2CCOCC2)[C@@H](c2csc(C(C)C)n2)NC(=S)N1C CC(C)c1nc(cs1)[*:1] CC1=C(C(=O)N2CCOCC2)[C@@H](NC(=S)N1C)[*:1]
Cc1cc(C)n(CC(=O)NCc2ccccc2CN2CCCC2=O)n1 O=C1CCCN1[*:1] Cc1cc(C)n(CC(=O)NCc2ccccc2C[*:1])n1
Cc1cc(C)n(CC(=O)NCc2ccccc2CN2CCCC2=O)n1 Cc1cc(C)n(n1)[*:1] O=C(C[*:1])NCc1ccccc1CN1CCCC1=O
Cc1cc(C)n(CC(=O)NCc2ccccc2CN2CCCC2=O)n1 Cc1cc(C)n(C[*:1])n1 O=C1CCCN1Cc1ccccc1CNC(=O)[*:1]
Cc1cc(C)n(CC(=O)NCc2ccccc2CN2CCCC2=O)n1 O=C1CCCN1C[*:1] Cc1cc(C)n(CC(=O)NCc2ccccc2[*:1])n1
CC[C@H](NC(=O)N[C@@H](c1ncc(C)s1)C1CC1)c1nc(C)cs1 C1CC1[*:1] CC[C@H](NC(=O)N[C@@H](c1ncc(C)s1)[*:1])c1nc(C)cs1
CC[C@H](NC(=O)N[C@@H](c1ncc(C)s1)C1CC1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)N[C@@H](c1ncc(C)s1)C1CC1)[*:1]
CC[C@H](NC(=O)N[C@@H](c1ncc(C)s1)C1CC1)c1nc(C)cs1 Cc1cnc(s1)[*:1] CC[C@H](NC(=O)N[C@@H](C1CC1)[*:1])c1nc(C)cs1
Cc1cc(C)cc([C@H](C)NC(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)Nc1cccc(c1)[*:1]
O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(CSc1nc([O-])cc(=O)n1[*:1])Nc1cccc(c1)C(F)(F)F
C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)C[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)C[*:1] C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[*:1]
C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)C[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)C[*:1]
C/C(=N/NC(=O)CSCc1cc(C)cc(C)c1)c1cccs1 c1csc(c1)[*:1] CC(=NNC(=O)CSCc1cc(C)cc(C)c1)[*:1]
CNc1cc(C)ccc1C(=O)N(CC#N)CC#N N#CC[*:1] CNc1cc(C)ccc1C(=O)N(CC#N)[*:1]
O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(cc1)Cc1nnn[n-]1)c1ncccc1[*:1]
COc1cc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(F)cc3)cs2)c([N+](=O)[O-])cc1OC Fc1ccc(cc1)[*:1] COc1cc(C(=O)Nc2cc(C)nn2-c2nc(cs2)[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(F)cc3)cs2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)Nc2cc(C)nn2-c2nc(cs2)-c2ccc(F)cc2)c(cc1OC)[*:1]
O=S(=O)(Cc1cc(F)cc(F)c1)N1CCCSC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=S(=O)(Cc1cc(F)cc(F)c1)N1CCCSC[C@@H]1C[*:1]
O=S(=O)(Cc1cc(F)cc(F)c1)N1CCCSC[C@@H]1CN1CCOCC1 Fc1cc(F)cc(c1)[*:1] O=S(=O)(C[*:1])N1CCCSC[C@@H]1CN1CCOCC1
O=S(=O)(Cc1cc(F)cc(F)c1)N1CCCSC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=S(=O)(Cc1cc(F)cc(F)c1)N1CCCSC[C@H]1[*:1]
Cc1ccc(OC(=O)C2(c3ccccc3)CCOCC2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(OC(=O)C2(CCOCC2)[*:1])c(C)c1
C=CCN1C(=O)[C@@H](CC(=O)[O-])S/C1=N\c1cccc(O)c1 C=CC[*:1] O=C([O-])C[C@H]1S/C(=N\c2cccc(O)c2)N(C1=O)[*:1]
C=CCN1C(=O)[C@@H](CC(=O)[O-])S/C1=N\c1cccc(O)c1 Oc1cccc(c1)[*:1] C=CCN1C(=O)[C@@H](CC(=O)[O-])SC1=N[*:1]
C=CCN1C(=O)[C@@H](CC(=O)[O-])S/C1=N\c1cccc(O)c1 O=C([O-])[*:1] C=CCN1C(=O)[C@@H](C[*:1])S/C1=N\c1cccc(O)c1
C=CCN1C(=O)[C@@H](CC(=O)[O-])S/C1=N\c1cccc(O)c1 O=C([O-])C[*:1] C=CCN1C(=O)[C@@H](S/C1=N\c1cccc(O)c1)[*:1]
CC(C)CC(=O)Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)s1 CC(C)CC(=O)N[*:1] O=C(CSc1nnc(s1)[*:1])Nc1ccc(Br)cc1
CC(C)CC(=O)Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)s1 Brc1ccc(cc1)[*:1] CC(C)CC(=O)Nc1nnc(SCC(=O)N[*:1])s1
CC(C)CC(=O)Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)s1 CC(C)C[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)Nc1ccc(Br)cc1
CC(C)CC(=O)Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)s1 CC(C)[*:1] O=C(CSc1nnc(NC(=O)C[*:1])s1)Nc1ccc(Br)cc1
C[C@H](NC(=O)NC[C@@H]1CCOC1)C(C)(C)c1ccccc1 C1C[C@H](CO1)[*:1] C[C@H](NC(=O)NC[*:1])C(C)(C)c1ccccc1
C[C@H](NC(=O)NC[C@@H]1CCOC1)C(C)(C)c1ccccc1 C1C[C@H](CO1)C[*:1] C[C@H](NC(=O)N[*:1])C(C)(C)c1ccccc1
C[C@H](NC(=O)NC[C@@H]1CCOC1)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NC[C@@H]1CCOC1)C(C)(C)[*:1]
CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCSCC3)C2=O)cc1 C1CN(CCS1)[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)C[C@@H](C1=O)[*:1]
CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCSCC3)C2=O)cc1 CCOC(=O)[*:1] O=C1C[C@H](C(=O)N1c1ccc(cc1)[*:1])N1CCSCC1
CCOc1ccccc1Nc1ncnc(Oc2ccccc2OC)c1N COc1ccccc1[*:1] CCOc1ccccc1Nc1ncnc(O[*:1])c1N
CCOc1ccccc1Nc1ncnc(Oc2ccccc2OC)c1N CCO[*:1] COc1ccccc1Oc1ncnc(Nc2ccccc2[*:1])c1N
C[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)CN2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)C1=NN(C(=O)CN1)[*:1]
O=C(Nc1ccnn1Cc1ccccn1)N(Cc1ccco1)C1CCCC1 c1ccc(C[*:1])nc1 O=C(Nc1ccnn1[*:1])N(Cc1ccco1)C1CCCC1
O=C(Nc1ccnn1Cc1ccccn1)N(Cc1ccco1)C1CCCC1 c1coc(c1)C[*:1] O=C(Nc1ccnn1Cc1ccccn1)N(C1CCCC1)[*:1]
O=C(Nc1ccnn1Cc1ccccn1)N(Cc1ccco1)C1CCCC1 c1ccc(nc1)[*:1] O=C(Nc1ccnn1C[*:1])N(Cc1ccco1)C1CCCC1
O=C(Nc1ccnn1Cc1ccccn1)N(Cc1ccco1)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1ccnn1Cc1ccccn1)N(Cc1ccco1)[*:1]
O=C(Nc1ccnn1Cc1ccccn1)N(Cc1ccco1)C1CCCC1 c1coc(c1)[*:1] O=C(Nc1ccnn1Cc1ccccn1)N(C[*:1])C1CCCC1
COC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc(C(N)=O)c1C NC(=O)[*:1] COC(=O)c1c(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)sc(c1C)[*:1]
COC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc(C(N)=O)c1C c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)c2cc(nc3ccccc23)[*:1])sc(C(N)=O)c1C
COC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc(C(N)=O)c1C COC(=O)[*:1] Cc1c(sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c1[*:1])C(N)=O
NC(=O)c1ccc(CNC(=O)c2ccc(-n3ccnc3)cc2)o1 NC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])c1ccc(cc1)-n1ccnc1
NC(=O)c1ccc(CNC(=O)c2ccc(-n3ccnc3)cc2)o1 c1cn(cn1)[*:1] NC(=O)c1ccc(CNC(=O)c2ccc(cc2)[*:1])o1
Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2C=C(C3CC3)N=N2)CC1 C1CC1[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)[C@H]1C=C(N=N1)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2C=C(C3CC3)N=N2)CC1 Cc1ccc(Cl)cc1[*:1] O=C([C@H]1C=C(N=N1)C1CC1)N1CCN(CC1)[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](c1ccccc1C)C(C)(C)C CC(C)(C)[*:1] CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](c1ccccc1C)[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](c1ccccc1C)C(C)(C)C CNC(=O)[*:1] Cc1ccccc1[C@H](NC(=O)N1CCC[C@H]1[*:1])C(C)(C)C
CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](c1ccccc1C)C(C)(C)C Cc1ccccc1[*:1] CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C(C)(C)C)[*:1]
COc1cc(C[NH+](Cc2ccccc2)CC2CCOCC2)cc2c1OCCO2 c1ccc(cc1)[*:1] COc1cc(cc2OCCOc12)C[NH+](CC1CCOCC1)C[*:1]
COc1cc(C[NH+](Cc2ccccc2)CC2CCOCC2)cc2c1OCCO2 c1ccc(cc1)C[*:1] COc1cc(cc2OCCOc12)C[NH+](CC1CCOCC1)[*:1]
COc1cc(C[NH+](Cc2ccccc2)CC2CCOCC2)cc2c1OCCO2 C1CC(CCO1)[*:1] COc1cc(cc2OCCOc12)C[NH+](Cc1ccccc1)C[*:1]
CC[C@H](Sc1n[nH]c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@H](Sc1n[nH]c(=O)n1C[C@@H]1CCCO1)[*:1]
CC[C@H](Sc1n[nH]c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1 C1CO[C@@H](C1)[*:1] CC[C@H](Sc1n[nH]c(=O)n1C[*:1])c1ccc(F)cc1
CC[C@H](Sc1n[nH]c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1 C1CO[C@@H](C1)C[*:1] CC[C@H](Sc1n[nH]c(=O)n1[*:1])c1ccc(F)cc1
CC(C)CCNC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 c1ccc(cc1)[*:1] CC(C)CCNC(=O)CN1C(=O)[C@@H](Oc2cccnc21)[*:1]
CC(C)CCNC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 CC(C)CC[*:1] O=C(CN1C(=O)[C@H](Oc2cccnc21)c1ccccc1)N[*:1]
CC(C)CCNC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 CC(C)CCNC(=O)[*:1] O=C1[C@H](Oc2cccnc2N1C[*:1])c1ccccc1
CC(C)CCNC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 CC(C)[*:1] O=C(CN1C(=O)[C@H](Oc2cccnc21)c1ccccc1)NCC[*:1]
CC(C)CCNC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 CC(C)C[*:1] O=C(CN1C(=O)[C@H](Oc2cccnc21)c1ccccc1)NC[*:1]
CC[C@@H](CCO)NC(=O)N[C@H](C)Cc1ccc2ccccc2c1 OCC[*:1] CC[C@@H](NC(=O)N[C@H](C)Cc1ccc2ccccc2c1)[*:1]
CC[C@@H](CCO)NC(=O)N[C@H](C)Cc1ccc2ccccc2c1 CC[C@@H](CCO)[*:1] C[C@H](Cc1ccc2ccccc2c1)NC(=O)N[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] CC[C@@H](Cc1ccccc1)NC(=O)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] CC[C@@H](Cc1ccccc1)NC(=O)C[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc[nH]1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)Cc1ccc[nH]1
CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cn2cncn2)cc1 CCS(=O)(=O)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1ccc(cc1)Cn1cncn1
CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)C[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)[*:1]
O=C(COc1ccc2c(c1)OCO2)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 c1cc2OCOc2cc1O[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1cc2nc(ccc2[nH]1)C(F)(F)F
O=C(COc1ccc2c(c1)OCO2)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 FC(F)(F)[*:1] O=C(COc1ccc2OCOc2c1)N1CCC[C@H](C1)c1cc2nc(ccc2[nH]1)[*:1]
O=C(COc1ccc2c(c1)OCO2)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 c1cc2OCOc2cc1[*:1] O=C(CO[*:1])N1CCC[C@H](C1)c1cc2nc(ccc2[nH]1)C(F)(F)F
Cc1c(C(=O)N2C[C@@H](C)CC[C@@H]2C)nnn1-c1ccc(OC(C)C)cc1 CC(C)[*:1] Cc1c(nnn1-c1ccc(cc1)O[*:1])C(=O)N1C[C@@H](C)CC[C@@H]1C
Cc1c(C(=O)N2C[C@@H](C)CC[C@@H]2C)nnn1-c1ccc(OC(C)C)cc1 CC(C)O[*:1] Cc1c(nnn1-c1ccc(cc1)[*:1])C(=O)N1C[C@@H](C)CC[C@@H]1C
CCCCC[C@H](C)NC(=O)c1ccncc1Cl CCCC[*:1] C[C@@H](C[*:1])NC(=O)c1ccncc1Cl
CCCCC[C@H](C)NC(=O)c1ccncc1Cl CCCCC[*:1] C[C@H](NC(=O)c1ccncc1Cl)[*:1]
CCCCC[C@H](C)NC(=O)c1ccncc1Cl CCC[*:1] C[C@@H](CC[*:1])NC(=O)c1ccncc1Cl
CCC[C@H](C)NC(=S)Nc1ccc(C)c(Cl)c1 CCC[C@H](C)[*:1] Cc1ccc(cc1Cl)NC(=S)N[*:1]
CCC[C@H](C)NC(=S)Nc1ccc(C)c(Cl)c1 CCC[*:1] Cc1ccc(cc1Cl)NC(=S)N[C@@H](C)[*:1]
CC[C@H]([NH2+][C@H](C)C(=O)N1CCc2ccccc21)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H]([NH2+][C@H](C)C(=O)N1CCc2ccccc21)[*:1]
COC(=O)[C@@]1(NC(C)C)CC[C@@H](Oc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] COC(=O)[C@]1(CC[C@H](C1)O[*:1])NC(C)C
COC(=O)[C@@]1(NC(C)C)CC[C@@H](Oc2cccc(F)c2)C1 CC(C)N[*:1] COC(=O)[C@]1(CC[C@H](C1)Oc1cccc(F)c1)[*:1]
COC(=O)[C@@]1(NC(C)C)CC[C@@H](Oc2cccc(F)c2)C1 CC(C)[*:1] COC(=O)[C@]1(CC[C@H](C1)Oc1cccc(F)c1)N[*:1]
COC(=O)[C@@]1(NC(C)C)CC[C@@H](Oc2cccc(F)c2)C1 COC(=O)[*:1] CC(C)N[C@]1(CC[C@H](C1)Oc1cccc(F)c1)[*:1]
O=C(NC[C@H]1CCCO1)c1nc(-c2cc[nH+]c(N3CCOCC3)c2)no1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])c1nc(no1)-c1cc[nH+]c(c1)N1CCOCC1
O=C(NC[C@H]1CCCO1)c1nc(-c2cc[nH+]c(N3CCOCC3)c2)no1 C1CO[C@H](C1)C[*:1] O=C(N[*:1])c1nc(no1)-c1cc[nH+]c(c1)N1CCOCC1
O=C(NC[C@H]1CCCO1)c1nc(-c2cc[nH+]c(N3CCOCC3)c2)no1 C1CN(CCO1)[*:1] O=C(NC[C@H]1CCCO1)c1nc(no1)-c1cc[nH+]c(c1)[*:1]
CC(=O)c1cnc(N(C)Cc2cc(C3CC3)on2)nc1C C1CC1[*:1] CC(=O)c1cnc(nc1C)N(C)Cc1cc(on1)[*:1]
CC(=O)c1cnc(N(C)Cc2cc(C3CC3)on2)nc1C CC(=O)[*:1] Cc1nc(ncc1[*:1])N(C)Cc1cc(on1)C1CC1
CCC(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 CCC(=O)O[*:1] O=C(NCCc1ccccc1)c1cc2ccc(cc2oc1=O)[*:1]
CCC(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 c1ccc(cc1)[*:1] CCC(=O)Oc1ccc2cc(C(=O)NCC[*:1])c(=O)oc2c1
CCC(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 c1ccc(cc1)CC[*:1] CCC(=O)Oc1ccc2cc(C(=O)N[*:1])c(=O)oc2c1
CCC(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 c1ccc(cc1)C[*:1] CCC(=O)Oc1ccc2cc(C(=O)NC[*:1])c(=O)oc2c1
CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CCC[C@@]1(C)CO c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CNC(=O)N[C@@H]1CCC[C@@]1(C)CO
CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CCC[C@@]1(C)CO c1ccc(cc1)C[*:1] CCN(C(=O)CNC(=O)N[C@@H]1CCC[C@@]1(C)CO)[*:1]
CCC1(CC)CC[NH+](CCCC[NH2+]C)C1 C[NH2+]CC[*:1] CCC1(CC)CC[NH+](CC[*:1])C1
CNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C CC(C)[*:1] CNC(=O)[C@@H](NC(=O)c1cccs1)[*:1]
CNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C c1csc(c1)[*:1] CNC(=O)[C@@H](NC(=O)[*:1])C(C)C
CNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C CNC(=O)[*:1] CC(C)[C@H](NC(=O)c1cccs1)[*:1]
CCCC[C@@H](COC)NC(=O)N1CCc2cc(F)ccc2C1 COC[*:1] CCCC[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)[*:1]
CCCC[C@@H](COC)NC(=O)N1CCc2cc(F)ccc2C1 CCCC[*:1] COC[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)[*:1]
CCCC[C@@H](COC)NC(=O)N1CCc2cc(F)ccc2C1 CCC[*:1] COC[C@H](C[*:1])NC(=O)N1CCc2cc(F)ccc2C1
CC(C)CNC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 FC(F)O[*:1] CC(C)CNC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CC(C)CNC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 CC(C)[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(cc1)OC(F)F
CC(C)CNC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 FC(F)[*:1] CC(C)CNC(=O)N[C@H](C)c1ccc(cc1)O[*:1]
CC(C)CNC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 CC(C)C[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)OC(F)F
CCN1CCO[C@H](C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)C1 CN(C)C(=O)[*:1] CCN1CCO[C@@H](C1)C(=O)Nc1ccc(C)c(c1)[*:1]
COc1cccc(N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3-c3cccnc3)CC2)c1 COc1cccc(c1)[*:1] O=C(c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1)N1CCN(CC1)[*:1]
COc1cccc(N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3-c3cccnc3)CC2)c1 c1cncc(c1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)c1nnn(-c2ccc(Cl)cc2)c1[*:1]
COc1cccc(N2CCN(C(=O)c3nnn(-c4ccc(Cl)cc4)c3-c3cccnc3)CC2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)c1nnn(c1-c1cccnc1)[*:1]
CC[C@@H]([NH3+])CCc1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H]([NH3+])CCc1cc(F)ccc1[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCc1cccc(F)c1 CC(C)NC(=O)[*:1] Cc1cc(ccc1NC(=O)C(=O)NCc1cccc(F)c1)[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCc1cccc(F)c1 Fc1cccc(c1)C[*:1] Cc1cc(ccc1NC(=O)C(=O)N[*:1])C(=O)NC(C)C
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)C(=O)NC[*:1])C(=O)NC(C)C
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCc1cccc(F)c1 CC(C)[*:1] Cc1cc(ccc1NC(=O)C(=O)NCc1cccc(F)c1)C(=O)N[*:1]
O=C(Cc1ccncc1)NNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(Cc1ccncc1)NNC(=O)c1ccc(=O)n(n1)[*:1]
O=C(Cc1ccncc1)NNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 c1cc(ccn1)C[*:1] O=C(NNC(=O)[*:1])c1ccc(=O)n(Cc2ccccc2)n1
O=C(Cc1ccncc1)NNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Cc1ccncc1)NNC(=O)c1ccc(=O)n(C[*:1])n1
O=C(Cc1ccncc1)NNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 c1cc(ccn1)[*:1] O=C(C[*:1])NNC(=O)c1ccc(=O)n(Cc2ccccc2)n1
Cc1cn(C)nc1C(=O)N(Cc1cccnc1)c1nc2c(C(C)C)cccc2s1 CC(C)[*:1] Cc1cn(C)nc1C(=O)N(Cc1cccnc1)c1nc2c(cccc2s1)[*:1]
Cc1cn(C)nc1C(=O)N(Cc1cccnc1)c1nc2c(C(C)C)cccc2s1 Cc1cn(C)nc1[*:1] CC(C)c1cccc2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
Cc1cn(C)nc1C(=O)N(Cc1cccnc1)c1nc2c(C(C)C)cccc2s1 c1cncc(c1)C[*:1] Cc1cn(C)nc1C(=O)N(c1nc2c(cccc2s1)C(C)C)[*:1]
Cc1cn(C)nc1C(=O)N(Cc1cccnc1)c1nc2c(C(C)C)cccc2s1 c1cncc(c1)[*:1] Cc1cn(C)nc1C(=O)N(C[*:1])c1nc2c(cccc2s1)C(C)C
Cc1cccc(C)c1C[NH2+]CCNC(=O)CC1CCCC1 C1CCC(C1)[*:1] Cc1cccc(C)c1C[NH2+]CCNC(=O)C[*:1]
Cc1cccc(C)c1C[NH2+]CCNC(=O)CC1CCCC1 C1CCC(C1)C[*:1] Cc1cccc(C)c1C[NH2+]CCNC(=O)[*:1]
CCC[NH2+][C@H](c1ncccn1)[C@H]1CCc2cccnc21 c1cnc(nc1)[*:1] CCC[NH2+][C@H]([C@H]1CCc2cccnc21)[*:1]
CCC[NH2+][C@H](c1ncccn1)[C@H]1CCc2cccnc21 CCC[*:1] c1cnc(nc1)[C@@H]([NH2+][*:1])[C@H]1CCc2cccnc21
C[N+](C)=C1C=CC(=C2C=CN(Cc3cccc(Cl)c3)C=C2)C=C1 Clc1cccc(c1)[*:1] C[N+](C)=C1C=CC(C=C1)=C1C=CN(C=C1)C[*:1]
CC(=O)N(c1nc(/C=C/C(=O)N2CCN(C)CC2)cs1)c1ccccc1F Fc1ccccc1[*:1] CC(=O)N(c1nc(/C=C/C(=O)N2CCN(C)CC2)cs1)[*:1]
CC(=O)N(c1nc(/C=C/C(=O)N2CCN(C)CC2)cs1)c1ccccc1F CN1CCN(CC1)C(=O)[*:1] CC(=O)N(c1nc(C=C[*:1])cs1)c1ccccc1F
CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 CC(C)[C@@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc2nncn2n1
CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 CC(C)[*:1] C[C@@H](NC(=O)C1CCN(CC1)c1ccc2nncn2n1)[*:1]
OCC(CO)C[C@@H]1Cc2cc(F)ccc2O1 OCC(CO)[*:1] Fc1ccc2O[C@@H](Cc2c1)C[*:1]
CN(C)c1c(Cl)cccc1NC(=O)CCCCO OCCC[*:1] CN(C)c1c(Cl)cccc1NC(=O)C[*:1]
CN(C)c1c(Cl)cccc1NC(=O)CCCCO CN(C)[*:1] O=C(CCCCO)Nc1cccc(Cl)c1[*:1]
CN(C)c1c(Cl)cccc1NC(=O)CCCCO OCC[*:1] CN(C)c1c(Cl)cccc1NC(=O)CC[*:1]
CN(C)c1c(Cl)cccc1NC(=O)CCCCO OCCCC[*:1] CN(C)c1c(Cl)cccc1NC(=O)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)Nc2ccc3oc(C4CC4)nc3c2)C1 C1CC1[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Nc1ccc2oc(nc2c1)[*:1]
CCn1nc(C(C)C)cc1C(=O)N(C)Cc1nc2ccc(F)cc2[nH]1 CC(C)[*:1] CCn1nc(cc1C(=O)N(C)Cc1nc2ccc(F)cc2[nH]1)[*:1]
O=S(=O)(NCc1csc(-c2cccs2)n1)c1ccc2c(c1)CCO2 c1csc(c1)[*:1] O=S(=O)(NCc1csc(n1)[*:1])c1ccc2OCCc2c1
O=S(=O)(c1cccs1)N1CC(c2nc3ccccc3[nH]2)C1 c1csc(c1)[*:1] O=S(=O)(N1CC(C1)c1nc2ccccc2[nH]1)[*:1]
CC[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@H](OC(=O)c1cccc(c1)C(F)(F)F)C(=O)N[*:1]
CC[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cc(C)on1 FC(F)(F)[*:1] CC[C@H](OC(=O)c1cccc(c1)[*:1])C(=O)Nc1cc(C)on1
O=C(NCc1coc(-c2cccs2)n1)C1(c2cccc(Cl)c2)CCC1 Clc1cccc(c1)[*:1] O=C(NCc1coc(n1)-c1cccs1)C1(CCC1)[*:1]
O=C(NCc1coc(-c2cccs2)n1)C1(c2cccc(Cl)c2)CCC1 c1csc(c1)[*:1] O=C(NCc1coc(n1)[*:1])C1(CCC1)c1cccc(Cl)c1
Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CN4CCCC4=O)C3)c2N)cc1 Cc1ccc(cc1)[*:1] Nc1c(cnn1[*:1])C(=O)[C@H]1CCN(C1)C(=O)CN1CCCC1=O
Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CN4CCCC4=O)C3)c2N)cc1 O=C1CCCN1C[*:1] Cc1ccc(cc1)-n1ncc(C(=O)[C@H]2CCN(C2)C(=O)[*:1])c1N
Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CN4CCCC4=O)C3)c2N)cc1 O=C1CCCN1[*:1] Cc1ccc(cc1)-n1ncc(C(=O)[C@H]2CCN(C2)C(=O)C[*:1])c1N
C1C[NH2+][C@](C2CC2)([C@H]2CCOC2)C1 C1CC1[*:1] C1C[NH2+][C@@](C1)([C@H]1CCOC1)[*:1]
Cc1cc(NC(=O)NCCCn2cc[nH+]c2)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NCCCn1cc[nH+]c1
CCn1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] CCn1ccc(n1)C(=O)Nc1ccc(Br)cc1C(=O)[*:1]
CCn1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)n1 O=C(c1ccccc1)[*:1] CCn1ccc(n1)C(=O)Nc1ccc(Br)cc1[*:1]
CCn1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)n1 CCn1ccc(n1)[*:1] O=C(c1ccccc1)c1cc(Br)ccc1NC(=O)[*:1]
Cc1cccc(-n2ccnc2SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 Cc1cccc(c1)[*:1] Cn1cnc2c1c(=O)n(CCCSc1nccn1[*:1])c(=O)n2C
C[C@]1(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCCC[C@H]1O Fc1ccc(cc1)[*:1] C[C@@]1(CCCC[C@H]1O)CNC(=O)N[C@@H](CC(F)(F)F)[*:1]
C[C@]1(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCCC[C@H]1O FC(F)(F)[*:1] C[C@@]1(CCCC[C@H]1O)CNC(=O)N[C@@H](C[*:1])c1ccc(F)cc1
C[C@]1(CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCCC[C@H]1O FC(F)(F)C[*:1] C[C@@]1(CCCC[C@H]1O)CNC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)C(C)(C)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 CCNS(=O)(=O)[*:1] CC(C)(C(=O)N1CC[C@H](C1)[*:1])c1ccc(F)cc1
CCOc1cc(-c2ccccc2)sc1C(=O)NCc1cccc(C(N)=O)c1 NC(=O)[*:1] CCOc1cc(sc1C(=O)NCc1cccc(c1)[*:1])-c1ccccc1
CCOc1cc(-c2ccccc2)sc1C(=O)NCc1cccc(C(N)=O)c1 CCO[*:1] NC(=O)c1cccc(c1)CNC(=O)c1sc(cc1[*:1])-c1ccccc1
CCOc1cc(-c2ccccc2)sc1C(=O)NCc1cccc(C(N)=O)c1 NC(=O)c1cccc(c1)[*:1] CCOc1cc(sc1C(=O)NC[*:1])-c1ccccc1
CCOc1cc(-c2ccccc2)sc1C(=O)NCc1cccc(C(N)=O)c1 c1ccc(cc1)[*:1] CCOc1cc(sc1C(=O)NCc1cccc(c1)C(N)=O)[*:1]
CC(C)Cc1nc(C[C@@H]2C(=O)N(C)C(=O)N2C)n(-c2ccc(F)cc2F)n1 Fc1ccc(c(F)c1)[*:1] CC(C)Cc1nc(C[C@@H]2C(=O)N(C)C(=O)N2C)n(n1)[*:1]
CC(C)Cc1nc(C[C@@H]2C(=O)N(C)C(=O)N2C)n(-c2ccc(F)cc2F)n1 CC(C)C[*:1] CN1C(=O)[C@@H](Cc2nc(nn2-c2ccc(F)cc2F)[*:1])N(C)C1=O
CC(C)Cc1nc(C[C@@H]2C(=O)N(C)C(=O)N2C)n(-c2ccc(F)cc2F)n1 CC(C)[*:1] CN1C(=O)[C@@H](Cc2nc(C[*:1])nn2-c2ccc(F)cc2F)N(C)C1=O
CSCC(=O)NNC(=O)c1ccn(C2CCCC2)n1 C1CCC(C1)[*:1] CSCC(=O)NNC(=O)c1ccn(n1)[*:1]
CSCC(=O)NNC(=O)c1ccn(C2CCCC2)n1 CSC[*:1] O=C(NNC(=O)[*:1])c1ccn(n1)C1CCCC1
N#C[C@@]1(NC2CC2)CC[C@H](Sc2nc3ccccc3[nH]2)C1 C1CC1N[*:1] N#C[C@]1(CC[C@@H](C1)Sc1nc2ccccc2[nH]1)[*:1]
N#C[C@@]1(NC2CC2)CC[C@H](Sc2nc3ccccc3[nH]2)C1 C1CC1[*:1] N#C[C@]1(CC[C@@H](C1)Sc1nc2ccccc2[nH]1)N[*:1]
COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c(OC)c1 c1csc(n1)[*:1] COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)N[*:1])c(c1)OC
COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(Nc1nccs1)c1cc2ccc(O)cc2oc1=N[*:1]
COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c(OC)c1 O=C(Nc1nccs1)[*:1] COc1ccc(/N=c2\oc3cc(O)ccc3cc2[*:1])c(c1)OC
Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1cccc(Cl)c1)CC(O)=N2 Clc1cccc(c1)[*:1] Cc1c(sc2N=C(O)C[C@H](c21)[*:1])C(=O)Nc1ccccc1F
Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1cccc(Cl)c1)CC(O)=N2 Fc1ccccc1[*:1] Cc1c(sc2N=C(O)C[C@H](c3cccc(Cl)c3)c21)C(=O)N[*:1]
[NH3+]CCNc1cc(Br)ccc1F [NH3+]CC[*:1] Fc1ccc(Br)cc1N[*:1]
[NH3+]CCNc1cc(Br)ccc1F [NH3+]CCN[*:1] Fc1ccc(Br)cc1[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)N1CCC(CC1)n1c(=O)[nH]c2ccccc21)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 O=c1[nH]c2ccccc2n1[*:1] Cc1ccc(c(c1)OCC(=O)N1CCC(CC1)[*:1])C(C)C
Cc1ccc(C(C)C)c(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 Cc1ccc(c(c1)[*:1])C(C)C O=C(CO[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
CNC(=S)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O Ic1ccc(cc1)[*:1] CNC(=S)N(CCc1ccccc1)[C@H]1CC(=O)N(C1=O)[*:1]
CNC(=S)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O c1ccc(cc1)C[*:1] CNC(=S)N(C[*:1])[C@H]1CC(=O)N(C1=O)c1ccc(I)cc1
CNC(=S)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O c1ccc(cc1)[*:1] CNC(=S)N(CC[*:1])[C@H]1CC(=O)N(C1=O)c1ccc(I)cc1
CNC(=S)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O c1ccc(cc1)CC[*:1] CNC(=S)N([C@H]1CC(=O)N(C1=O)c1ccc(I)cc1)[*:1]
Cc1cc(F)c([C@@H](C)Nc2cccc([N+](=O)[O-])c2)cc1F O=[N+]([O-])[*:1] Cc1cc(F)c(cc1F)[C@@H](C)Nc1cccc(c1)[*:1]
CCC[NH2+]Cc1cc(F)c(OC[C@H]2CNC(=O)O2)c(F)c1 O=C1NC[C@@H](O1)[*:1] CCC[NH2+]Cc1cc(F)c(OC[*:1])c(F)c1
CCC[NH2+]Cc1cc(F)c(OC[C@H]2CNC(=O)O2)c(F)c1 O=C1NC[C@H](C[*:1])O1 CCC[NH2+]Cc1cc(F)c(O[*:1])c(F)c1
CCC[NH2+]Cc1cc(F)c(OC[C@H]2CNC(=O)O2)c(F)c1 CCC[*:1] O=C1NC[C@H](COc2c(F)cc(cc2F)C[NH2+][*:1])O1
CC(C)=C[C@]1(O)CCc2ccccc21 CC(C)=C[*:1] O[C@@]1(CCc2ccccc21)[*:1]
CCn1cc(NC(=O)c2ccc(OCc3nnnn3C(C)C)cc2)cn1 CC(C)n1nnnc1[*:1] CCn1cc(cn1)NC(=O)c1ccc(cc1)OC[*:1]
CCn1cc(NC(=O)c2ccc(OCc3nnnn3C(C)C)cc2)cn1 CCn1cc(cn1)[*:1] CC(C)n1nnnc1COc1ccc(cc1)C(=O)N[*:1]
CCn1cc(NC(=O)c2ccc(OCc3nnnn3C(C)C)cc2)cn1 CC(C)[*:1] CCn1cc(cn1)NC(=O)c1ccc(cc1)OCc1nnnn1[*:1]
CN(C(=O)c1ccncc1)c1ccc(CNc2cccc[nH+]2)cc1 c1cc(ccn1)[*:1] CN(C(=O)[*:1])c1ccc(cc1)CNc1cccc[nH+]1
O=C(NCc1csc(=O)[nH]1)[C@@H]1CCCc2sccc21 O=c1[nH]c(cs1)[*:1] O=C(NC[*:1])[C@@H]1CCCc2sccc21
Cc1ccc([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c(C)c1 CS(=O)(=O)N[*:1] Cc1ccc(c(C)c1)[C@@H](C)[NH2+]CCC[*:1]
Cc1ccc([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c(C)c1 CS(=O)(=O)NC[*:1] Cc1ccc(c(C)c1)[C@@H](C)[NH2+]CC[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N(CC)CC(C)(C)O)ccc21 CC(C)(O)C[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N(CC)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N(CC)CC(C)(C)O)ccc21 CCC[*:1] CCN(CC(C)(C)O)C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N(CC)CC(C)(C)O)ccc21 CC(C)(O)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N(CC)C[*:1]
CC[C@@H](Cl)[C@H](c1ccccc1)C(C)C CC(C)[*:1] CC[C@@H](Cl)[C@H](c1ccccc1)[*:1]
CC[C@@H](Cl)[C@H](c1ccccc1)C(C)C CC[C@@H](Cl)[*:1] CC(C)[C@@H](c1ccccc1)[*:1]
CC(C)CCn1c(SCC(=O)N2CCCC2=O)nc2sc3c(c2c1=O)CCCC3 CC(C)C[*:1] O=C1CCCN1C(=O)CSc1nc2sc3CCCCc3c2c(=O)n1C[*:1]
CC(C)CCn1c(SCC(=O)N2CCCC2=O)nc2sc3c(c2c1=O)CCCC3 CC(C)[*:1] O=C1CCCN1C(=O)CSc1nc2sc3CCCCc3c2c(=O)n1CC[*:1]
CC(C)CCn1c(SCC(=O)N2CCCC2=O)nc2sc3c(c2c1=O)CCCC3 O=C1CCCN1C(=O)C[*:1] CC(C)CCn1c(nc2sc3CCCCc3c2c1=O)S[*:1]
CC(C)CCn1c(SCC(=O)N2CCCC2=O)nc2sc3c(c2c1=O)CCCC3 O=C1CCCN1C(=O)[*:1] CC(C)CCn1c(nc2sc3CCCCc3c2c1=O)SC[*:1]
CC(C)CCn1c(SCC(=O)N2CCCC2=O)nc2sc3c(c2c1=O)CCCC3 CC(C)CC[*:1] O=C1CCCN1C(=O)CSc1nc2sc3CCCCc3c2c(=O)n1[*:1]
CCc1nc2ccccc2n1C1CCN(C(=O)c2cccnc2C)CC1 Cc1ncccc1[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCCNc1ccccc1 c1ccc(cc1)N[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCC[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCCNc1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCCN[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCCNc1ccccc1 O=C(N1CCCC1)[*:1] Cc1cccc(c1NC(=O)NCCCNc1ccccc1)[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCCNc1ccccc1 c1ccc(cc1)NCC[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NC[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCCNc1ccccc1 c1ccc(cc1)NC[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCC[*:1]
CC[NH+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ncc(C)o1 Cc1cnc(o1)[*:1] CC[NH+](CC(=O)Nc1ccc2OCCOc2c1)C[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)C1 C[C@@H](c1ccccc1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1cc(C)n(c1C)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)C1 COC(=O)[*:1] Cc1cc(C(=O)N2CC[C@@](F)(C2)[*:1])c(C)n1[C@@H](C)c1ccccc1
COC(=O)[C@]1(F)CCN(C(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)C1 c1ccc(cc1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1cc(C)n(c1C)[C@@H](C)[*:1]
Clc1cc2c(c(CSc3nncn3CCc3ccccn3)c1)OCOC2 c1ccc(CC[*:1])nc1 Clc1cc2COCOc2c(c1)CSc1nncn1[*:1]
Clc1cc2c(c(CSc3nncn3CCc3ccccn3)c1)OCOC2 c1ccc(nc1)[*:1] Clc1cc2COCOc2c(c1)CSc1nncn1CC[*:1]
Clc1cc2c(c(CSc3nncn3CCc3ccccn3)c1)OCOC2 c1ccc(C[*:1])nc1 Clc1cc2COCOc2c(c1)CSc1nncn1C[*:1]
COc1ccccc1COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O COc1ccccc1[*:1] C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OC[*:1])C2=O
CCCOC[C@H]([NH3+])c1ncc[nH]1 CCC[*:1] [NH3+][C@@H](CO[*:1])c1ncc[nH]1
CCCOC[C@H]([NH3+])c1ncc[nH]1 CCCO[*:1] [NH3+][C@@H](C[*:1])c1ncc[nH]1
CCOC(=O)C1=C(C)[C@H](S(=O)(=O)N2CCC3(CC2)OCCO3)C(C)=N1 CCOC(=O)[*:1] CC1=NC(=C(C)[C@@H]1S(=O)(=O)N1CCC2(CC1)OCCO2)[*:1]
C[NH+]1CCN([C@H](C(=O)Nc2cccc(C[S@](C)=O)c2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@H](C(=O)Nc1cccc(c1)C[S@](C)=O)[*:1]
C[NH+]1CCN([C@H](C(=O)Nc2cccc(C[S@](C)=O)c2)c2ccccc2)CC1 C[S@](=O)C[*:1] C[NH+]1CCN(CC1)[C@H](C(=O)Nc1cccc(c1)[*:1])c1ccccc1
CCOCCOc1ccc(S(N)(=O)=O)cc1 CCO[*:1] NS(=O)(=O)c1ccc(cc1)OCC[*:1]
CCOCCOc1ccc(S(N)(=O)=O)cc1 CCOCC[*:1] NS(=O)(=O)c1ccc(cc1)O[*:1]
CCOCCOc1ccc(S(N)(=O)=O)cc1 CCOC[*:1] NS(=O)(=O)c1ccc(cc1)OC[*:1]
CCOCCOc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CCOCCOc1ccc(cc1)[*:1]
Cc1cc(C)c(C(=O)NCCNc2ccccc2)c(=O)[nH]1 c1ccc(cc1)N[*:1] Cc1cc(C)c(C(=O)NCC[*:1])c(=O)[nH]1
Cc1cc(C)c(C(=O)NCCNc2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)NCCN[*:1])c(=O)[nH]1
Cc1ccc(N2/C(=N/C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1F Cc1ccc(cc1F)[*:1] CC(C)(C)OC(=O)NCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1ccc(N2/C(=N/C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1F CC(C)(C)[*:1] Cc1ccc(cc1F)N1/C(=N/C(=O)CCNC(=O)O[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1ccc(N2/C(=N/C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1F CC(C)(C)OC(=O)NCC[*:1] Cc1ccc(cc1F)N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1ccc(N2/C(=N/C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1F CC(C)(C)OC(=O)N[*:1] Cc1ccc(cc1F)N1/C(=N/C(=O)CC[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1ccc(N2/C(=N/C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1F CC(C)(C)OC(=O)NC[*:1] Cc1ccc(cc1F)N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
N=C1S/C(=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] N=C1S/C(=C\c2ccccc2OC[*:1])C(=O)N1c1ccc(Cl)cc1
N=C1S/C(=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N=C1S/C(=C\c2ccccc2OCC(=O)N[*:1])C(=O)N1c1ccc(Cl)cc1
N=C1S/C(=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N=C1S/C(=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)C(=O)N1[*:1]
N=C1S/C(=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 O=C(C[*:1])Nc1ccc(Cl)cc1 N=C1S/C(=C\c2ccccc2O[*:1])C(=O)N1c1ccc(Cl)cc1
COc1ccc(OCCN(C)C(=O)C(=O)Nc2ccccc2F)cc1 COc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)C(=O)Nc1ccccc1F
COc1ccc(OCCN(C)C(=O)C(=O)Nc2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)OCCN(C)C(=O)C(=O)N[*:1]
O=[N+]([O-])c1cc(Cl)c(Cl)cc1NC[C@@H]1C[C@H]2CC[C@@H]1C2 O=[N+]([O-])[*:1] Clc1cc(NC[C@@H]2C[C@H]3CC[C@@H]2C3)c(cc1Cl)[*:1]
COc1ccccc1C1(CNC(=O)Nc2ccc(C)cc2)CCOCC1 Cc1ccc(cc1)[*:1] COc1ccccc1C1(CCOCC1)CNC(=O)N[*:1]
COc1ccccc1C1(CNC(=O)Nc2ccc(C)cc2)CCOCC1 COc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)NCC1(CCOCC1)[*:1]
CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)Cc1ccccc1)C2 c1ccc(cc1)[*:1] CC1(C)[C@H]2CC[C@]1(C)/C(C2)=N\NC(=O)C[*:1]
CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)Cc1ccccc1)C2 c1ccc(cc1)C[*:1] CC1(C)[C@H]2CC[C@]1(C)/C(C2)=N\NC(=O)[*:1]
C[C@H]1C[NH+]=C(N2CCN(C(=O)CCCn3ccnn3)CC2)S1 c1cn(nn1)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)CCC[*:1]
C[C@H]1C[NH+]=C(N2CCN(C(=O)CCCn3ccnn3)CC2)S1 c1cn(CC[*:1])nn1 C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)C[*:1]
C[C@H]1C[NH+]=C(N2CCN(C(=O)CCCn3ccnn3)CC2)S1 c1cn(C[*:1])nn1 C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)CC[*:1]
Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCN(CC1)[*:1])-c1nn(C)c(=O)c2CCCCc12
CN(C)C(=O)Cc1nc(-c2ccc(CCNS(C)(=O)=O)s2)cs1 CN(C)C(=O)[*:1] CS(=O)(=O)NCCc1ccc(s1)-c1csc(C[*:1])n1
CN(C)C(=O)Cc1nc(-c2ccc(CCNS(C)(=O)=O)s2)cs1 CN(C)C(=O)C[*:1] CS(=O)(=O)NCCc1ccc(s1)-c1csc(n1)[*:1]
CN(C)C(=O)Cc1nc(-c2ccc(CCNS(C)(=O)=O)s2)cs1 CS(=O)(=O)NC[*:1] CN(C)C(=O)Cc1nc(cs1)-c1ccc(C[*:1])s1
CN(C)C(=O)Cc1nc(-c2ccc(CCNS(C)(=O)=O)s2)cs1 CS(=O)(=O)N[*:1] CN(C)C(=O)Cc1nc(cs1)-c1ccc(CC[*:1])s1
CN(C)C(=O)Cc1nc(-c2ccc(CCNS(C)(=O)=O)s2)cs1 CS(=O)(=O)NCC[*:1] CN(C)C(=O)Cc1nc(cs1)-c1ccc(s1)[*:1]
C[C@@H]1CN(C(=O)CCCSc2ccccc2)[C@H](C)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)CCCS[*:1])[C@H](C)CO1
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 Cc1cc(ccc1[*:1])[N+](=O)[O-] O=C(CCN1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1)N[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)CCN1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1)[*:1]
Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(n2cncn2)CC1 c1ncn(n1)[*:1] Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(CC1)[*:1]
Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(n2cncn2)CC1 Cc1ccccc1[*:1] O=C([C@H]1C[C@@H]1[*:1])N1CCC(CC1)n1cncn1
CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 CCOC(=O)[*:1] O=C(c1cccs1)N1CCC(CC1)[NH2+][C@@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 c1csc(c1)[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)C[C@@H]([NH2+]C2CCN(CC2)C(=O)[*:1])C1=O
COc1ccc(OCCNc2c(Cl)cccc2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)OCCNc1c(Cl)cccc1[*:1]
COCC(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 COC[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCN(CC1)C(=O)[*:1])c1ccco1
COCC(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 c1coc(c1)[*:1] COCC(=O)N1CCN(CC1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CCCC1=C2[C@@H](N=N1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1Cl CCC[*:1] N#CC1=C(N)O[C@@H]2N=NC(=C2[C@H]1c1cccc(Cl)c1Cl)[*:1]
O=C1C[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CN1C1CC1 C1CC1[*:1] O=C(N[C@@H]1CC(=O)N(C1)[*:1])N1CCC[C@@H]1C[NH+]1CCCCC1
O=C([O-])CS(=O)(=O)Nc1ccc2ccccc2c1 O=C([O-])C[*:1] O=S(=O)(Nc1ccc2ccccc2c1)[*:1]
O=C([O-])CS(=O)(=O)Nc1ccc2ccccc2c1 O=C([O-])[*:1] O=S(=O)(C[*:1])Nc1ccc2ccccc2c1
Cc1nccn1-c1ccc([C@H](C)NC(=O)NCCc2ccc(F)cc2)cc1 Fc1ccc(cc1)CC[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)N[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)NCCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)NCC[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)NCCc2ccc(F)cc2)cc1 Cc1nccn1[*:1] C[C@H](NC(=O)NCCc1ccc(F)cc1)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)NCCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)NC[*:1]
COc1ccc(C[NH+]2CCC(C)(C)C2)cc1C(N)=[NH2+] NC(=[NH2+])[*:1] COc1ccc(cc1[*:1])C[NH+]1CCC(C)(C)C1
Cc1cnc2c(C(=O)N[C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)cnn2c1 Fc1ccc(cc1)[*:1] Cc1cnc2c(cnn2c1)C(=O)N[C@H]1CC(=O)N(C1)C[*:1]
Cc1cnc2c(C(=O)N[C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)cnn2c1 Fc1ccc(cc1)C[*:1] Cc1cnc2c(cnn2c1)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)CNC(=O)c1ccc(cc1)C(C)(C)C
CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1ccc(cc1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 Fc1cccc(Cl)c1C[*:1] CN(C(=O)CNC(=O)c1ccc(cc1)C(C)(C)C)[*:1]
CC(=O)N1CCC(N(C(=O)CCC(=O)NC[C@@H]2CCCO2)C2CC2)CC1 C1CO[C@@H](C1)[*:1] CC(=O)N1CCC(CC1)N(C(=O)CCC(=O)NC[*:1])C1CC1
CC(=O)N1CCC(N(C(=O)CCC(=O)NC[C@@H]2CCCO2)C2CC2)CC1 C1CC1[*:1] CC(=O)N1CCC(CC1)N(C(=O)CCC(=O)NC[C@@H]1CCCO1)[*:1]
CC(=O)N1CCC(N(C(=O)CCC(=O)NC[C@@H]2CCCO2)C2CC2)CC1 C1CO[C@@H](C1)C[*:1] CC(=O)N1CCC(CC1)N(C(=O)CCC(=O)N[*:1])C1CC1
C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 C#CC[*:1] CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C1)[NH2+]C[*:1]
C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C#CCC[NH2+][C@H]1CCC[C@@H](C1)NC(=O)O[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1F)[C@H]1C[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1cc(ccc1F)C(F)(F)F)[C@H]1C[C@@H]1[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1F)[C@H]1C[C@H]1c1ccc(Cl)cc1 FC(F)(F)[*:1] O=C(Nc1cc(ccc1F)[*:1])[C@H]1C[C@H]1c1ccc(Cl)cc1
CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 CC(=O)N[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)Cn1nc(ccc1=O)[*:1]
Cc1ccc(-c2nc(NCC[S@](C)=O)ncc2-c2ccncc2)cn1 Cc1ccc(cn1)[*:1] C[S@](=O)CCNc1ncc(-c2ccncc2)c(n1)[*:1]
Cc1ccc(-c2nc(NCC[S@](C)=O)ncc2-c2ccncc2)cn1 c1cc(ccn1)[*:1] Cc1ccc(cn1)-c1nc(ncc1[*:1])NCC[S@](C)=O
O=C1N[C@@H](c2cnc(-c3ccccc3)s2)Nc2ccccc21 c1ccc(cc1)[*:1] O=C1N[C@H](Nc2ccccc21)c1cnc(s1)[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(=O)[nH]1 Cc1ccc(c(=O)[nH]1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-n1cncn1
Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(=O)[nH]1 c1ncn(n1)[*:1] Cc1ccc(C(=O)N[C@@H](C)c2ccc(cc2)[*:1])c(=O)[nH]1
Cc1ccccc1[C@]1(CC(=O)N(C)[C@H](C)c2nccs2)CC(=O)N(Cc2cccnc2)C1=O c1csc(n1)[*:1] Cc1ccccc1[C@@]1(CC(=O)N(Cc2cccnc2)C1=O)CC(=O)N(C)[C@H](C)[*:1]
Cc1ccccc1[C@]1(CC(=O)N(C)[C@H](C)c2nccs2)CC(=O)N(Cc2cccnc2)C1=O Cc1ccccc1[*:1] C[C@H](c1nccs1)N(C)C(=O)C[C@@]1(CC(=O)N(Cc2cccnc2)C1=O)[*:1]
Cc1ccccc1[C@]1(CC(=O)N(C)[C@H](C)c2nccs2)CC(=O)N(Cc2cccnc2)C1=O c1cncc(c1)C[*:1] Cc1ccccc1[C@]1(CC(=O)N(C)[C@H](C)c2nccs2)CC(=O)N(C1=O)[*:1]
Cc1ccccc1[C@]1(CC(=O)N(C)[C@H](C)c2nccs2)CC(=O)N(Cc2cccnc2)C1=O c1cncc(c1)[*:1] Cc1ccccc1[C@@]1(CC(=O)N(C[*:1])C1=O)CC(=O)N(C)[C@H](C)c1nccs1
CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c1 CC(=O)N(C)[*:1] C[C@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCO[C@H]1C)CC2 COC[*:1] C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2nc(nn2C1)[*:1]
C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)N[C@@H](C)[*:1]
C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cc1)C(=O)N[C@@H](C)c1ccccc1
C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)O[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)[C@@H](C)[*:1])c1ccccc1
C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 C[C@H](Oc1ccccc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)[*:1])c1ccccc1
C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 C[C@@H](c1ccccc1)[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C=COCCC[NH2+]Cc1ccc(Br)c(C)c1 C=CO[*:1] Cc1cc(ccc1Br)C[NH2+]CCC[*:1]
C=COCCC[NH2+]Cc1ccc(Br)c(C)c1 C=COCC[*:1] Cc1cc(ccc1Br)C[NH2+]C[*:1]
C=COCCC[NH2+]Cc1ccc(Br)c(C)c1 C=COC[*:1] Cc1cc(ccc1Br)C[NH2+]CC[*:1]
COC(=O)c1ccc([C@@H]2[C@@H](Oc3ccccc3C)C(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] COC(=O)c1ccc(cc1)[C@@H]1[C@@H](Oc2ccccc2C)C(=O)N1[*:1]
COC(=O)c1ccc([C@@H]2[C@@H](Oc3ccccc3C)C(=O)N2Cc2ccc(F)cc2)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1ccccc1O[C@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1[*:1]
COC(=O)c1ccc([C@@H]2[C@@H](Oc3ccccc3C)C(=O)N2Cc2ccc(F)cc2)cc1 Cc1ccccc1O[*:1] COC(=O)c1ccc(cc1)[C@@H]1[C@@H](C(=O)N1Cc1ccc(F)cc1)[*:1]
COC(=O)c1ccc([C@@H]2[C@@H](Oc3ccccc3C)C(=O)N2Cc2ccc(F)cc2)cc1 COC(=O)[*:1] Cc1ccccc1O[C@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(cc1)[*:1]
COC(=O)c1ccc([C@@H]2[C@@H](Oc3ccccc3C)C(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@@H]1[C@@H](Oc2ccccc2C)C(=O)N1C[*:1]
COC(=O)c1ccc([C@@H]2[C@@H](Oc3ccccc3C)C(=O)N2Cc2ccc(F)cc2)cc1 Cc1ccccc1[*:1] COC(=O)c1ccc(cc1)[C@@H]1[C@@H](O[*:1])C(=O)N1Cc1ccc(F)cc1
CCC[NH2+][C@@H](CC(C)C)[C@H](C)c1ccccn1 CC(C)C[*:1] CCC[NH2+][C@@H]([C@H](C)c1ccccn1)[*:1]
CCC[NH2+][C@@H](CC(C)C)[C@H](C)c1ccccn1 CC(C)[*:1] CCC[NH2+][C@@H](C[*:1])[C@H](C)c1ccccn1
CCC[NH2+][C@@H](CC(C)C)[C@H](C)c1ccccn1 CCC[*:1] CC(C)C[C@H]([NH2+][*:1])[C@H](C)c1ccccn1
NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2O1 NS(=O)(=O)[*:1] O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@@H]1C[*:1]
NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2O1 NS(=O)(=O)C[*:1] O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@@H]1[*:1]
O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(-n2cnnc2)c1 c1nncn1[*:1] O=C(CCc1cnn(c1)-c1ccccc1)Nc1cccc(c1)[*:1]
O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(-n2cnnc2)c1 c1ccc(cc1)[*:1] O=C(CCc1cnn(c1)[*:1])Nc1cccc(c1)-n1cnnc1
C[NH+](C)CCNC(=O)C1(c2cc(-c3ccccc3F)on2)CC1 Fc1ccccc1[*:1] C[NH+](C)CCNC(=O)C1(CC1)c1cc(on1)[*:1]
CC(C)Oc1ccc(NC(=O)C[NH+](C)Cc2ccccc2)cc1 CC(C)[*:1] C[NH+](CC(=O)Nc1ccc(cc1)O[*:1])Cc1ccccc1
CC(C)Oc1ccc(NC(=O)C[NH+](C)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)NC(=O)C[NH+](C)C[*:1]
CC(C)Oc1ccc(NC(=O)C[NH+](C)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)Oc1ccc(cc1)NC(=O)C[NH+](C)[*:1]
CC(C)Oc1ccc(NC(=O)C[NH+](C)Cc2ccccc2)cc1 CC(C)O[*:1] C[NH+](CC(=O)Nc1ccc(cc1)[*:1])Cc1ccccc1
Cc1ccc(C)c(NC(=O)C(=O)N(C)CCc2ccccn2)c1 c1ccc(nc1)[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)N(C)CC[*:1]
Cc1ccc(C)c(NC(=O)C(=O)N(C)CCc2ccccn2)c1 c1ccc(C[*:1])nc1 Cc1ccc(C)c(c1)NC(=O)C(=O)N(C)C[*:1]
CC[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccs2)C1 c1csc(c1)[*:1] CC[C@H]1CCCN(C1)C(=O)[C@H](C)NS(=O)(=O)[*:1]
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC#N)C1=O N#CCC[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1cccc(c1)[N+](=O)[O-]
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC#N)C1=O N#CC[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cccc(c1)[N+](=O)[O-]
C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC#N)C1=O O=[N+]([O-])[*:1] C[C@]1(NC(=O)N(CCC#N)C1=O)c1cccc(c1)[*:1]
CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)c3cccc(C(=O)OC)c3)CC2)CC1 COC(=O)[*:1] CC[NH+]1CCN(CC1)C(=O)CCC1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)c3cccc(C(=O)OC)c3)CC2)CC1 COC(=O)c1cccc(c1)[*:1] CC[NH+]1CCN(CC1)C(=O)CCC1CCN(CC1)C(=O)[*:1]
COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1C COC[*:1] CN1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
CC(C)Cn1cc(C(=O)NCc2nnc3n2CCC3)c2ccccc21 CC(C)[*:1] O=C(NCc1nnc2CCCn21)c1cn(C[*:1])c2ccccc12
CC(C)Cn1cc(C(=O)NCc2nnc3n2CCC3)c2ccccc21 C1Cc2nnc(n2C1)[*:1] CC(C)Cn1cc(C(=O)NC[*:1])c2ccccc21
CC(C)Cn1cc(C(=O)NCc2nnc3n2CCC3)c2ccccc21 CC(C)C[*:1] O=C(NCc1nnc2CCCn21)c1cn(c2ccccc12)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cn2)c1C COC(=O)[*:1] Cc1ccc(nc1)NC(=O)c1[nH]c(C)c(c1C)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cn2)c1C Cc1ccc(nc1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)N[*:1])c1C
CCOc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O CCO[*:1] CCn1cc(/C=C2\Oc3c(ccc(c3C)[*:1])C2=O)c2cc(ccc21)OC
COc1cccc(NC(=O)[C@H](c2ccccc2)n2cnc3c2c(=O)n(C)c(=O)n3C)c1 COc1cccc(c1)[*:1] Cn1c(=O)c2c(ncn2[C@H](C(=O)N[*:1])c2ccccc2)n(C)c1=O
COc1cccc(NC(=O)[C@H](c2ccccc2)n2cnc3c2c(=O)n(C)c(=O)n3C)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@H](n1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
CCN[C@]1(C#N)CC[C@H](Sc2cccc(Br)c2)C1 CCN[*:1] N#C[C@@]1(CC[C@@H](C1)Sc1cccc(Br)c1)[*:1]
c1cncc(CNc2cccc(C3[NH+]=c4ccccc4=[NH+]3)c2)c1 c1cncc(c1)C[*:1] c1cc(cc(c1)C1[NH+]=c2ccccc2=[NH+]1)N[*:1]
c1cncc(CNc2cccc(C3[NH+]=c4ccccc4=[NH+]3)c2)c1 c1cncc(c1)[*:1] c1cc(cc(c1)C1[NH+]=c2ccccc2=[NH+]1)NC[*:1]
CC(C)C[C@@H](C)OCCC(=O)N1CCNC(=O)[C@@H]1C(C)C CC(C)[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)CCO[C@H](C)C[*:1]
CC(C)C[C@@H](C)OCCC(=O)N1CCNC(=O)[C@@H]1C(C)C CC(C)C[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)CCO[C@H](C)[*:1]
CC(C)C[C@@H](C)OCCC(=O)N1CCNC(=O)[C@@H]1C(C)C CC(C)[*:1] CC(C)C[C@@H](C)OCCC(=O)N1CCNC(=O)[C@H]1[*:1]
CC(C)C[C@@H](C)OCCC(=O)N1CCNC(=O)[C@@H]1C(C)C CC(C)C[C@@H](C)[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)CCO[*:1]
CC(C)C[C@@H](C)OCCC(=O)N1CCNC(=O)[C@@H]1C(C)C CC(C)C[C@@H](C)O[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)CC[*:1]
Cc1cccc(OCc2cccc(N)n2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(OCc2cccc(N)n2)c1[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)N(C)Cc2cccc(OC)c2)n1 COc1cccc(c1)[*:1] CCc1ccccc1-n1cc([O-])c(n1)C(=O)N(C)C[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)N(C)Cc2cccc(OC)c2)n1 COc1cccc(c1)C[*:1] CCc1ccccc1-n1cc([O-])c(n1)C(=O)N(C)[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)N(C)Cc2cccc(OC)c2)n1 CCc1ccccc1[*:1] COc1cccc(c1)CN(C)C(=O)c1nn(cc1[O-])[*:1]
CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])C1(C)C O=[N+]([O-])[*:1] CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cc(F)ccc2[*:1])C1(C)C
NNC(=O)c1ccc(Cn2cccn2)nc1 NNC(=O)[*:1] c1cnn(c1)Cc1ccc(cn1)[*:1]
NNC(=O)c1ccc(Cn2cccn2)nc1 c1cnn(c1)[*:1] NNC(=O)c1ccc(C[*:1])nc1
S=C1N=N[C@@H](COc2ccccc2)N1/N=C/c1cccnc1 c1cncc(c1)[*:1] S=C1N=N[C@@H](COc2ccccc2)N1N=C[*:1]
S=C1N=N[C@@H](COc2ccccc2)N1/N=C/c1cccnc1 c1ccc(cc1)[*:1] S=C1N=N[C@@H](CO[*:1])N1/N=C/c1cccnc1
S=C1N=N[C@@H](COc2ccccc2)N1/N=C/c1cccnc1 c1ccc(cc1)O[*:1] S=C1N=N[C@@H](C[*:1])N1/N=C/c1cccnc1
O=C(CSC1=NC=NC2=NC=N[C@@H]21)NCCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(CSC1=NC=NC2=NC=N[C@@H]21)NCC[*:1]
COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)[O-])c(C)n3n2)c1 O=C([O-])C[*:1] COc1cc(cc(c1)-c1cc2nc(C)c(C[*:1])c(C)n2n1)OC
COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)[O-])c(C)n3n2)c1 O=C([O-])[*:1] COc1cc(cc(c1)-c1cc2nc(C)c(CC[*:1])c(C)n2n1)OC
COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)[O-])c(C)n3n2)c1 O=C([O-])CC[*:1] COc1cc(cc(c1)-c1cc2nc(C)c(c(C)n2n1)[*:1])OC
O=C(NCc1nccs1)c1ccc(Br)nc1 c1csc(n1)[*:1] O=C(NC[*:1])c1ccc(Br)nc1
CC(C)CNC(=O)CNC(=O)CC1(O)CCCCC1 CC(C)C[*:1] O=C(CC1(O)CCCCC1)NCC(=O)N[*:1]
CC(C)CNC(=O)CNC(=O)CC1(O)CCCCC1 CC(C)[*:1] O=C(CNC(=O)CC1(O)CCCCC1)NC[*:1]
COCCCC(=O)N1CCC(OCc2ccccc2C)CC1 COC[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)CC[*:1]
COCCCC(=O)N1CCC(OCc2ccccc2C)CC1 COCC[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)C[*:1]
COCCCC(=O)N1CCC(OCc2ccccc2C)CC1 Cc1ccccc1[*:1] COCCCC(=O)N1CCC(CC1)OC[*:1]
COCCCC(=O)N1CCC(OCc2ccccc2C)CC1 COCCC[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)[*:1]
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc([N+](=O)[O-])c1[O-] COC(=O)[*:1] CCOc1cc(cc(c1[O-])[N+](=O)[O-])[C@@H]1NC(=O)NC(C)=C1[*:1]
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] CCOc1cc(cc(c1[O-])[*:1])[C@@H]1NC(=O)NC(C)=C1C(=O)OC
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc([N+](=O)[O-])c1[O-] CCO[*:1] COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(c([O-])c(c1)[*:1])[N+](=O)[O-]
Cc1ccccc1CCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 c1ccc(nc1)[*:1] Cc1ccccc1CCC(=O)NC1CC[NH+](CC1)C[*:1]
Cc1ccccc1CCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 Cc1ccccc1CCC(=O)NC1CC[NH+](CC1)[*:1]
Cc1ccccc1CCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 Cc1ccccc1C[*:1] O=C(C[*:1])NC1CC[NH+](CC1)Cc1ccccn1
Cc1ccccc1CCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 Cc1ccccc1[*:1] O=C(CC[*:1])NC1CC[NH+](CC1)Cc1ccccn1
C[C@](N)(c1nc(CSC2CCCCC2)no1)C(F)(F)F C1CCC(CC1)[*:1] C[C@](N)(c1nc(CS[*:1])no1)C(F)(F)F
C[C@](N)(c1nc(CSC2CCCCC2)no1)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(c1nc(CSC2CCCCC2)no1)[*:1]
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H](C)n1c(=O)oc2ccccc21 Clc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)[C@@H](C)n1c(=O)oc2ccccc21)[*:1]
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(F)c2)cc1 C=CC[*:1] Cc1ccc(cc1F)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)[*:1]
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(F)c2)cc1 C=CCN(C)S(=O)(=O)[*:1] Cc1ccc(cc1F)C(=O)Nc1ccc(cc1)[*:1]
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(F)c2)cc1 Cc1ccc(cc1F)[*:1] C=CCN(C)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(NCc1cc(Br)ccc1F)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(NCc1cc(Br)ccc1F)N1CCOC[C@H]1[*:1]
CNC(=O)c1ccc(C[NH+](CC(=O)N2CCNC2=O)Cc2ccco2)cc1 O=C1NCCN1C(=O)[*:1] CNC(=O)c1ccc(cc1)C[NH+](Cc1ccco1)C[*:1]
CNC(=O)c1ccc(C[NH+](CC(=O)N2CCNC2=O)Cc2ccco2)cc1 c1coc(c1)C[*:1] CNC(=O)c1ccc(cc1)C[NH+](CC(=O)N1CCNC1=O)[*:1]
CNC(=O)c1ccc(C[NH+](CC(=O)N2CCNC2=O)Cc2ccco2)cc1 CNC(=O)[*:1] O=C(C[NH+](Cc1ccc(cc1)[*:1])Cc1ccco1)N1CCNC1=O
CNC(=O)c1ccc(C[NH+](CC(=O)N2CCNC2=O)Cc2ccco2)cc1 c1coc(c1)[*:1] CNC(=O)c1ccc(cc1)C[NH+](CC(=O)N1CCNC1=O)C[*:1]
COc1ccc(F)cc1NC(=O)NCCCN1CCCC1=O O=C1CCCN1C[*:1] COc1ccc(F)cc1NC(=O)NCC[*:1]
COc1ccc(F)cc1NC(=O)NCCCN1CCCC1=O O=C1CCCN1[*:1] COc1ccc(F)cc1NC(=O)NCCC[*:1]
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC(C)C)[C@H](C(=O)c3ccccc3)C2)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)N1C[C@@H](C(=O)N[*:1])[C@@H](C1)C(=O)c1ccccc1
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC(C)C)[C@H](C(=O)c3ccccc3)C2)cc1 O=C(c1ccccc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1C[C@@H](C(=O)NC(C)C)[C@H](C1)[*:1]
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC(C)C)[C@H](C(=O)c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1C[C@@H](C(=O)NC(C)C)[C@@H](C1)C(=O)[*:1]
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC(C)C)[C@H](C(=O)c3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] CC(C)NC(=O)[C@@H]1CN(C[C@H]1C(=O)c1ccccc1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC(C)C)[C@H](C(=O)c3ccccc3)C2)cc1 CC(C)NC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)N1C[C@@H](C(=O)c2ccccc2)[C@H](C1)[*:1]
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)cc2)NC(=O)N1 Cc1ccc(cc1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccccc1C)[*:1]
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)cc2)NC(=O)N1 Cc1ccccc1[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1ccc(C)cc1
CCc1cccc(S(=O)(=O)N2CCOC[C@@H]2C2CC2)c1 C1CC1[*:1] CCc1cccc(c1)S(=O)(=O)N1CCOC[C@H]1[*:1]
Cc1noc(CCCNC(=O)C(C)(C)Cc2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] Cc1noc(CCCNC(=O)C(C)(C)C[*:1])n1
Cc1noc(CCCNC(=O)C(C)(C)Cc2cccc(Cl)c2)n1 Cc1noc(n1)[*:1] CC(C)(Cc1cccc(Cl)c1)C(=O)NCCC[*:1]
Cc1noc(CCCNC(=O)C(C)(C)Cc2cccc(Cl)c2)n1 Cc1noc(C[*:1])n1 CC(C)(Cc1cccc(Cl)c1)C(=O)NCC[*:1]
NC(=O)[C@H]1CN(C(=O)[C@@H]2COc3ccc(F)cc3C2)CCO1 NC(=O)[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N1CCO[C@H](C1)[*:1]
CC[C@H](C)n1nccc1NC(=O)[C@H](C)Cc1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] CC[C@H](C)n1nccc1NC(=O)[C@H](C)C[*:1]
CC[C@H](C)n1nccc1NC(=O)[C@H](C)Cc1c(C)n[nH]c1C CC[C@H](C)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccnn1[*:1]
CCC(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccccc2OC)C(C)(C)C)C1 COc1ccccc1[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C(C)(C)C)[*:1]
CCC(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccccc2OC)C(C)(C)C)C1 CC(C)(C)[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](c1ccccc1OC)[*:1]
CC(C)(C)NC(=O)Cn1cc(C(N)=O)c(-c2ccccc2)n1 CC(C)(C)[*:1] NC(=O)c1cn(CC(=O)N[*:1])nc1-c1ccccc1
CC(C)(C)NC(=O)Cn1cc(C(N)=O)c(-c2ccccc2)n1 CC(C)(C)NC(=O)[*:1] NC(=O)c1cn(C[*:1])nc1-c1ccccc1
CC(C)(C)NC(=O)Cn1cc(C(N)=O)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)Cn1cc(C(N)=O)c(n1)[*:1]
CC(C)(C)NC(=O)Cn1cc(C(N)=O)c(-c2ccccc2)n1 NC(=O)[*:1] CC(C)(C)NC(=O)Cn1cc(c(n1)-c1ccccc1)[*:1]
Cc1cc(SCC(=O)C2CCOCC2)nc2ccccc12 C1CC(CCO1)[*:1] Cc1cc(nc2ccccc12)SCC(=O)[*:1]
O=C(C[C@H](O)c1cccc(F)c1)NC[C@H]1CCCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H](O)c1cccc(F)c1)NC[C@H]1CCCO[C@H]1[*:1]
O=C(C[C@H](O)c1cccc(F)c1)NC[C@H]1CCCO[C@@H]1c1ccccc1 Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])NC[C@H]1CCCO[C@@H]1c1ccccc1
O=C(CSc1nnc2n(C[C@@H]3CCCO3)c(=O)c3sccc3n12)Nc1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] O=C(CSc1nnc2n(C[C@@H]3CCCO3)c(=O)c3sccc3n12)N[*:1]
COc1ccc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1[*:1])C(=O)N1CCN(CC1)C[C@@H]1CCCO1
COc1cn(-c2ccccc2)nc1C(=O)N(C)[C@H]1CCC[C@H](C)C1 c1ccc(cc1)[*:1] COc1cn(nc1C(=O)N(C)[C@H]1CCC[C@H](C)C1)[*:1]
CCOc1ccc(F)c(C(=O)OCCc2cccs2)c1F c1csc(c1)CC[*:1] CCOc1ccc(F)c(C(=O)O[*:1])c1F
CCOc1ccc(F)c(C(=O)OCCc2cccs2)c1F c1csc(c1)C[*:1] CCOc1ccc(F)c(C(=O)OC[*:1])c1F
CCOc1ccc(F)c(C(=O)OCCc2cccs2)c1F CCO[*:1] O=C(OCCc1cccs1)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)OCCc2cccs2)c1F c1csc(c1)[*:1] CCOc1ccc(F)c(C(=O)OCC[*:1])c1F
O=C(NCCCOCC1CCOCC1)[C@H]1CCCc2ccccc21 C1CC(CCO1)[*:1] O=C(NCCCOC[*:1])[C@H]1CCCc2ccccc21
O=C(NCCCOCC1CCOCC1)[C@H]1CCCc2ccccc21 C1CC(CCO1)C[*:1] O=C(NCCCO[*:1])[C@H]1CCCc2ccccc21
O=C(NCCCOCC1CCOCC1)[C@H]1CCCc2ccccc21 C1CC(CCO1)CO[*:1] O=C(NCCC[*:1])[C@H]1CCCc2ccccc21
COc1ncccc1CNC(=O)N1CCCCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] COc1ncccc1CNC(=O)N1CCCCC[C@H]1[*:1]
COc1ncccc1CNC(=O)N1CCCCC[C@@H]1c1ccncc1 COc1ncccc1[*:1] O=C(NC[*:1])N1CCCCC[C@@H]1c1ccncc1
CC[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1c(C)nn(C)c1C NS(=O)(=O)[*:1] CC[C@@H]([NH2+][C@H](C)c1ccc(cc1)[*:1])c1c(C)nn(C)c1C
CC[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H]([NH2+][C@H](C)c1ccc(cc1)S(N)(=O)=O)[*:1]
O=C(CNC(=O)c1cncn1-c1ccc(F)cc1)Nc1ccccc1Br Fc1ccc(cc1)[*:1] O=C(CNC(=O)c1cncn1[*:1])Nc1ccccc1Br
O=C(CNC(=O)c1cncn1-c1ccc(F)cc1)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(CNC(=O)c1cncn1-c1ccc(F)cc1)N[*:1]
Nc1cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1Cl FC(F)(F)[*:1] Nc1cc(ccc1Cl)C(=O)OCC(=O)Nc1cc(ccc1Cl)[*:1]
Nc1cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1Cl Nc1cc(ccc1Cl)[*:1] O=C(COC(=O)[*:1])Nc1cc(ccc1Cl)C(F)(F)F
CC(C)CCS(=O)(=O)CC(=O)Nc1cc(F)cc(F)c1 CC(C)[*:1] O=C(CS(=O)(=O)CC[*:1])Nc1cc(F)cc(F)c1
CC(C)CCS(=O)(=O)CC(=O)Nc1cc(F)cc(F)c1 CC(C)CC[*:1] O=C(CS(=O)(=O)[*:1])Nc1cc(F)cc(F)c1
CC(C)CCS(=O)(=O)CC(=O)Nc1cc(F)cc(F)c1 CC(C)C[*:1] O=C(CS(=O)(=O)C[*:1])Nc1cc(F)cc(F)c1
CC(=O)NCc1ccc(C(=O)N2CCN(C)c3ccc(F)cc32)cc1 CC(=O)N[*:1] CN1CCN(C(=O)c2ccc(cc2)C[*:1])c2cc(F)ccc21
CC(=O)NCc1ccc(C(=O)N2CCN(C)c3ccc(F)cc32)cc1 CC(=O)NC[*:1] CN1CCN(C(=O)c2ccc(cc2)[*:1])c2cc(F)ccc21
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C2=O Fc1cccc(c1)[*:1] C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@@H]([NH+](C)C)[*:1])C2=O
CN1CCC[C@@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1=O Fc1ccc(cc1)[*:1] CN1CCC[C@@]2(CCN(C2)C(=O)CC[*:1])C1=O
O=C(NNc1ccc(F)cc1)c1cc(-c2ccccc2)on1 Fc1ccc(cc1)[*:1] O=C(NN[*:1])c1cc(on1)-c1ccccc1
O=C(NNc1ccc(F)cc1)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(NNc1ccc(F)cc1)c1cc(on1)[*:1]
C=CCn1c(SCc2csc(NC(C)=O)n2)nnc1-c1ccncc1 C=CC[*:1] CC(=O)Nc1nc(cs1)CSc1nnc(-c2ccncc2)n1[*:1]
C=CCn1c(SCc2csc(NC(C)=O)n2)nnc1-c1ccncc1 c1cc(ccn1)[*:1] C=CCn1c(nnc1[*:1])SCc1csc(n1)NC(C)=O
C=CCn1c(SCc2csc(NC(C)=O)n2)nnc1-c1ccncc1 CC(=O)N[*:1] C=CCn1c(nnc1-c1ccncc1)SCc1csc(n1)[*:1]
CC(C)c1ccc(CN2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1 CC(C)c1ccc(cc1)[*:1] c1coc(c1)-c1nnc(C[NH+]2CCN(CC2)C[*:1])o1
CC(C)c1ccc(CN2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1 c1coc(c1)[*:1] CC(C)c1ccc(cc1)CN1CC[NH+](CC1)Cc1nnc(o1)[*:1]
CC(C)c1ccc(CN2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1 CC(C)[*:1] c1coc(c1)-c1nnc(C[NH+]2CCN(CC2)Cc2ccc(cc2)[*:1])o1
C[C@H](C1CCN(C(=O)CCc2ccccc2F)CC1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](C1CCN(CC1)C(=O)CCc1ccccc1F)[*:1]
C[C@H](C1CCN(C(=O)CCc2ccccc2F)CC1)N1CCOCC1 Fc1ccccc1[*:1] C[C@H](C1CCN(CC1)C(=O)CC[*:1])N1CCOCC1
C[C@H](C1CCN(C(=O)CCc2ccccc2F)CC1)N1CCOCC1 Fc1ccccc1C[*:1] C[C@H](C1CCN(CC1)C(=O)C[*:1])N1CCOCC1
CCN(Cc1cccs1)C(=O)NCCC(=O)N1CCCCC1 c1csc(c1)[*:1] CCN(C[*:1])C(=O)NCCC(=O)N1CCCCC1
CCN(Cc1cccs1)C(=O)NCCC(=O)N1CCCCC1 c1csc(c1)C[*:1] CCN(C(=O)NCCC(=O)N1CCCCC1)[*:1]
Cc1nc([C@@H](NC(=O)c2c(O)cc(Cl)cc2Cl)c2ccccc2F)no1 Cc1nc(no1)[*:1] O=C(N[C@@H](c1ccccc1F)[*:1])c1c(O)cc(Cl)cc1Cl
Cc1nc([C@@H](NC(=O)c2c(O)cc(Cl)cc2Cl)c2ccccc2F)no1 Fc1ccccc1[*:1] Cc1nc(no1)[C@@H](NC(=O)c1c(O)cc(Cl)cc1Cl)[*:1]
COCCCn1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)n1 COCCC[*:1] O=C(Nc1ccn(n1)[*:1])c1cnc(s1)[C@@H]1CCCO1
COCCCn1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)n1 COCC[*:1] O=C(Nc1ccn(C[*:1])n1)c1cnc(s1)[C@@H]1CCCO1
COCCCn1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)n1 COC[*:1] O=C(Nc1ccn(CC[*:1])n1)c1cnc(s1)[C@@H]1CCCO1
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)/C=C/C2CC2)cn1 C1CC1[*:1] CS(=O)(=O)c1ccccc1-n1cc(cn1)NC(=O)C=C[*:1]
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)/C=C/C2CC2)cn1 C(=C[*:1])C1CC1 CS(=O)(=O)c1ccccc1-n1cc(cn1)NC(=O)[*:1]
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)/C=C/C2CC2)cn1 CS(=O)(=O)[*:1] O=C(/C=C/C1CC1)Nc1cnn(c1)-c1ccccc1[*:1]
Cc1ccc(-c2nc3sc4cc(S(C)(=O)=O)ccc4n3c2C)cc1C CS(=O)(=O)[*:1] Cc1ccc(cc1C)-c1nc2sc3cc(ccc3n2c1C)[*:1]
Cc1ccc(-c2nc3sc4cc(S(C)(=O)=O)ccc4n3c2C)cc1C Cc1ccc(cc1C)[*:1] Cc1c(nc2sc3cc(ccc3n12)S(C)(=O)=O)[*:1]
CCO[C@H](C)c1noc(C[S@@](=O)[C@@H](C)c2ccc(F)c(F)c2)n1 CCO[*:1] C[C@@H](c1ccc(F)c(F)c1)[S@](=O)Cc1nc(no1)[C@@H](C)[*:1]
CCO[C@H](C)c1noc(C[S@@](=O)[C@@H](C)c2ccc(F)c(F)c2)n1 CCO[C@H](C)[*:1] C[C@@H](c1ccc(F)c(F)c1)[S@](=O)Cc1nc(no1)[*:1]
Cc1nc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)sc1C CC(C)[*:1] Cc1nc(NC(=O)c2c(C)nn(C[*:1])c2Cl)sc1C
Cc1nc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)sc1C Cc1nc(sc1C)[*:1] Cc1nn(CC(C)C)c(Cl)c1C(=O)N[*:1]
Cc1nc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)sc1C CC(C)C[*:1] Cc1nc(NC(=O)c2c(C)nn(c2Cl)[*:1])sc1C
COc1cccc(C[C@H](C(=O)[O-])c2cccc(C)c2)n1 O=C([O-])[*:1] COc1cccc(C[C@H](c2cccc(C)c2)[*:1])n1
Cc1ccc(C)c(S(=O)(=O)CC(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 Cc1ccc(C)c(c1)[*:1] O=C(CS(=O)(=O)[*:1])N1CCC[C@@H]2CCCC[C@H]21
CC(C)CC[C@H](C)NS(=O)(=O)CCO OCC[*:1] CC(C)CC[C@H](C)NS(=O)(=O)[*:1]
CC(C)CC[C@H](C)NS(=O)(=O)CCO CC(C)[*:1] C[C@@H](CC[*:1])NS(=O)(=O)CCO
CC(C)CC[C@H](C)NS(=O)(=O)CCO CC(C)C[*:1] C[C@@H](C[*:1])NS(=O)(=O)CCO
O=C(Nc1ccc(C(=O)NC2CC2)cc1)N[C@H]1CCCC[C@@H]1CO O=C(NC1CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H]1CCCC[C@@H]1CO
O=C(Nc1ccc(C(=O)NC2CC2)cc1)N[C@H]1CCCC[C@@H]1CO C1CC1[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])N[C@H]1CCCC[C@@H]1CO
COc1ccc(CN(C)C[C@H](O)c2cccc(F)c2)cc1F Fc1cccc(c1)[*:1] COc1ccc(cc1F)CN(C)C[C@H](O)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3nnc(CC(C)(C)C)s3)CC2=O)cc1 CC(C)(C)C[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3nnc(CC(C)(C)C)s3)CC2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)Cc1nnc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
Cc1ccc(N2C[C@H](C(=O)Nc3nnc(CC(C)(C)C)s3)CC2=O)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1nnc(C[*:1])s1
COc1ccc(C[NH+](C)Cc2nc(-c3cnccn3)no2)c2cccnc12 c1cnc(cn1)[*:1] COc1ccc(C[NH+](C)Cc2nc(no2)[*:1])c2cccnc12
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 N#CC[*:1] C[C@H](N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[*:1]
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 N#Cc1ccccc1[*:1] C[C@H](CC#N)N(C)C(=O)Nc1ccc(O[*:1])c(F)c1
CNC(=O)[C@@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C CNC(=O)[*:1] C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)[*:1]
CC(=O)c1cc2c(cc1NC(=O)CN1CCC([NH+]3CCCCC3)CC1)OCO2 CC(=O)[*:1] O=C(CN1CCC(CC1)[NH+]1CCCCC1)Nc1cc2OCOc2cc1[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)CCS(C)(=O)=O c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)CCS(C)(=O)=O)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)CCS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1ccc(cc1NC(=O)C[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] Cc1ccc(cc1NC(=O)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)CCS(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)CC[*:1])-c1ncco1
C[C@H](NC(=O)c1ccc(-n2cccc2)nc1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@H](NC(=O)c1ccc(nc1)-n1cccc1)[*:1]
C[C@H](NC(=O)c1ccc(-n2cccc2)nc1)C(=O)N1CCOCC1 c1ccn(c1)[*:1] C[C@H](NC(=O)c1ccc(nc1)[*:1])C(=O)N1CCOCC1
O=C(CN1C(=O)c2ccccc2C1=O)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCc2cccnc2)C1 c1ccc(cc1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N1CC(=O)N(C[C@H](C1)OCc1cccnc1)C[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCc2cccnc2)C1 O=C1c2ccccc2C(=O)N1C[*:1] O=C1CN(C[C@@H](CN1Cc1ccccc1)OCc1cccnc1)C(=O)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCc2cccnc2)C1 c1cncc(c1)C[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N1CC(=O)N(Cc2ccccc2)C[C@H](C1)O[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCc2cccnc2)C1 O=C1c2ccccc2C(=O)N1[*:1] O=C(C[*:1])N1CC(=O)N(Cc2ccccc2)C[C@H](C1)OCc1cccnc1
O=C(CN1C(=O)c2ccccc2C1=O)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCc2cccnc2)C1 c1cncc(c1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N1CC(=O)N(Cc2ccccc2)C[C@H](C1)OC[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCc2cccnc2)C1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N1CC(=O)N(C[C@H](C1)OCc1cccnc1)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCc2cccnc2)C1 c1cncc(c1)CO[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N1CC(=O)N(Cc2ccccc2)C[C@@H](C1)[*:1]
CC(C)(CNC(=O)c1ccc(NC=O)cc1)c1cccs1 c1csc(c1)[*:1] CC(C)(CNC(=O)c1ccc(cc1)NC=O)[*:1]
CC(C)(CNC(=O)c1ccc(NC=O)cc1)c1cccs1 O=CN[*:1] CC(C)(CNC(=O)c1ccc(cc1)[*:1])c1cccs1
Cc1cc(NC(=O)c2cccc(F)c2)sc1/C([O-])=N/S(C)(=O)=O Fc1cccc(c1)[*:1] Cc1cc(NC(=O)[*:1])sc1/C([O-])=N/S(C)(=O)=O
C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](O1)[*:1])C(=O)c1ccn(n1)-c1ccc(Cl)c(Cl)c1
C[C@@H]1CN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C[C@@H](c2ccccc2)O1 Clc1ccc(cc1Cl)[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)c1ccn(n1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 FC(F)(F)[*:1] CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(ccc1-n1cccn1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 CC[C@H](C)NC(=O)[*:1] C[C@@H](NC(=O)Nc1cc(ccc1-n1cccn1)C(F)(F)F)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 c1cnn(c1)[*:1] CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 CC[C@H](C)[*:1] C[C@@H](NC(=O)Nc1cc(ccc1-n1cccn1)C(F)(F)F)C(=O)N[*:1]
O=C(CCN1CCCCO1)NC[C@@H]1N=NC2=C1CCC2 C1CCN(OC1)[*:1] O=C(CC[*:1])NC[C@@H]1N=NC2CCCC=21
CO[C@H](c1ccccc1)c1nc2nc(N(C)C)ccc2[nH]1 CN(C)[*:1] CO[C@H](c1ccccc1)c1nc2nc(ccc2[nH]1)[*:1]
CO[C@H](c1ccccc1)c1nc2nc(N(C)C)ccc2[nH]1 c1ccc(cc1)[*:1] CO[C@H](c1nc2nc(ccc2[nH]1)N(C)C)[*:1]
CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 O=C([O-])C[*:1] CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(cc1)[*:1]
CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 O=C([O-])[*:1] CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(cc1)C[*:1]
CC[NH2+][C@H]1[C@@H](S(=O)(=O)CC(=O)OCC)CCC1(C)C CCOC(=O)C[*:1] CC[NH2+][C@H]1[C@H](CCC1(C)C)S(=O)(=O)[*:1]
CC[NH2+][C@H]1[C@@H](S(=O)(=O)CC(=O)OCC)CCC1(C)C CCOC(=O)[*:1] CC[NH2+][C@H]1[C@H](CCC1(C)C)S(=O)(=O)C[*:1]
Cn1ncc(Cl)c1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 Cn1ncc(Cl)c1[*:1] O=C(N1CCC[C@@H](COc2ccc(F)cc2)C1)[*:1]
Cn1ncc(Cl)c1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 Fc1ccc(cc1)O[*:1] Cn1ncc(Cl)c1C(=O)N1CCC[C@H](C1)C[*:1]
Cn1ncc(Cl)c1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] Cn1ncc(Cl)c1C(=O)N1CCC[C@@H](CO[*:1])C1
Cc1cc([O-])c(C2(c3c([O-])cc(C)n(C)c3=O)CC(C)(C)[NH2+]C(C)(C)C2)c(=O)n1C Cc1cc([O-])c(c(=O)n1C)[*:1] Cc1cc([O-])c(c(=O)n1C)C1(CC(C)(C)[NH2+]C(C)(C)C1)[*:1]
CCn1nc(C)c(C[NH2+]Cc2c(C)nn(C)c2Oc2cccnc2)c1C c1cncc(c1)O[*:1] CCn1nc(C)c(C[NH2+]Cc2c(C)nn(C)c2[*:1])c1C
CCn1nc(C)c(C[NH2+]Cc2c(C)nn(C)c2Oc2cccnc2)c1C c1cncc(c1)[*:1] CCn1nc(C)c(C[NH2+]Cc2c(C)nn(C)c2O[*:1])c1C
Cc1cccc(CN(C(=O)Cc2ccc(C)nc2)C2CC2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cn1)CC(=O)N(C[*:1])C1CC1
Cc1cccc(CN(C(=O)Cc2ccc(C)nc2)C2CC2)c1 Cc1ccc(cn1)[*:1] Cc1cccc(c1)CN(C(=O)C[*:1])C1CC1
Cc1cccc(CN(C(=O)Cc2ccc(C)nc2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(C(=O)Cc1ccc(C)nc1)[*:1]
Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCc4ccccc4C3)c(=O)[nH]c2c1C c1ccc2CN(CCc2c1)[*:1] Cc1ccc2cc(c(=O)[nH]c2c1C)[C@@H](c1nnnn1C1CCCC1)[*:1]
Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCc4ccccc4C3)c(=O)[nH]c2c1C C1CCC(C1)[*:1] Cc1ccc2cc(c(=O)[nH]c2c1C)[C@@H](c1nnnn1[*:1])N1CCc2ccccc2C1
Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCc4ccccc4C3)c(=O)[nH]c2c1C C1CCC(C1)n1nnnc1[*:1] Cc1ccc2cc(c(=O)[nH]c2c1C)[C@@H](N1CCc2ccccc2C1)[*:1]
COc1ccc(/C=C(\C#N)C(=O)NCCC2=c3ccccc3=[NH+]C2)cc1C COc1ccc(cc1C)[*:1] N#CC(=C[*:1])C(=O)NCCC1C[NH+]=c2ccccc2=1
O=C(CNC(=O)Cn1ccc2ccccc2c1=O)NCc1ccco1 c1coc(c1)[*:1] O=C(CNC(=O)Cn1ccc2ccccc2c1=O)NC[*:1]
O=C(CNC(=O)Cn1ccc2ccccc2c1=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cn1ccc2ccccc2c1=O)NCC(=O)N[*:1]
O=C(CCc1ccccc1)N1CCN(c2nc3ccc(F)cc3s2)CC1 c1ccc(cc1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1nc2ccc(F)cc2s1
O=C(CCc1ccccc1)N1CCN(c2nc3ccc(F)cc3s2)CC1 c1ccc(cc1)C[*:1] O=C(C[*:1])N1CCN(CC1)c1nc2ccc(F)cc2s1
O=C(CCc1ccccc1)N1CCN(c2nc3ccc(F)cc3s2)CC1 c1ccc(cc1)CC[*:1] O=C(N1CCN(CC1)c1nc2ccc(F)cc2s1)[*:1]
CCOC(=O)CC[C@H](C)NC(=O)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CCOC(=O)CC[C@H](C)NC(=O)N1CCO[C@@H](C1)[*:1]
CCOC(=O)CC[C@H](C)NC(=O)N1CCO[C@@H](c2ccccc2)C1 CCOC(=O)C[*:1] C[C@@H](C[*:1])NC(=O)N1CCO[C@H](C1)c1ccccc1
CCOC(=O)CC[C@H](C)NC(=O)N1CCO[C@@H](c2ccccc2)C1 CCOC(=O)[*:1] C[C@@H](CC[*:1])NC(=O)N1CCO[C@H](C1)c1ccccc1
CCOC(=O)CC[C@H](C)NC(=O)N1CCO[C@@H](c2ccccc2)C1 CCOC(=O)CC[*:1] C[C@H](NC(=O)N1CCO[C@H](C1)c1ccccc1)[*:1]
CN(C)C(=O)CCCC(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1 CN(C)C(=O)CC[*:1] O=C(C[*:1])NCC1(CCCCC1)c1ccc2OCOc2c1
CN(C)C(=O)CCCC(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1 CN(C)C(=O)C[*:1] O=C(CC[*:1])NCC1(CCCCC1)c1ccc2OCOc2c1
CN(C)C(=O)CCCC(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1 CN(C)C(=O)CCC[*:1] O=C(NCC1(CCCCC1)c1ccc2OCOc2c1)[*:1]
CN(C)C(=O)CCCC(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1 CN(C)C(=O)[*:1] O=C(CCC[*:1])NCC1(CCCCC1)c1ccc2OCOc2c1
CN(C)C(=O)CCCC(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1 c1cc2OCOc2cc1[*:1] CN(C)C(=O)CCCC(=O)NCC1(CCCCC1)[*:1]
CC(C)C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc(Cl)cc1 CC(C)C[*:1] NC(=O)[C@H]1CC[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)[*:1])O1
CC(C)C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)C[C@H]([NH2+]C[C@H]1CC[C@@H](O1)C(N)=O)[*:1]
CC(C)C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc(Cl)cc1 CC(C)[*:1] NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H](C[*:1])c2ccc(Cl)cc2)O1
CC(C)C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc(Cl)cc1 NC(=O)[*:1] CC(C)C[C@H]([NH2+]C[C@H]1CC[C@H](O1)[*:1])c1ccc(Cl)cc1
CCNc1nnc(SCC(=O)N(C)CC2CCCCC2)s1 CCN[*:1] CN(CC1CCCCC1)C(=O)CSc1nnc(s1)[*:1]
CCNc1nnc(SCC(=O)N(C)CC2CCCCC2)s1 C1CCC(CC1)C[*:1] CCNc1nnc(SCC(=O)N(C)[*:1])s1
CCNc1nnc(SCC(=O)N(C)CC2CCCCC2)s1 C1CCC(CC1)[*:1] CCNc1nnc(SCC(=O)N(C)C[*:1])s1
C[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl)[S@](C)=O Clc1ccccc1[*:1] C[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)[*:1])[S@](C)=O
C[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl)[S@](C)=O Fc1ccc(cc1)[*:1] C[C@H](C[NH2+][C@H](C[*:1])c1ccccc1Cl)[S@](C)=O
Cc1nc(C)n(Cc2cccc(NC(=O)NNc3ccccc3F)c2)n1 Cc1nc(C)n(C[*:1])n1 O=C(NNc1ccccc1F)Nc1cccc(c1)[*:1]
Cc1nc(C)n(Cc2cccc(NC(=O)NNc3ccccc3F)c2)n1 Cc1nc(C)n(n1)[*:1] O=C(NNc1ccccc1F)Nc1cccc(c1)C[*:1]
Cc1nc(C)n(Cc2cccc(NC(=O)NNc3ccccc3F)c2)n1 Fc1ccccc1[*:1] Cc1nc(C)n(Cc2cccc(c2)NC(=O)NN[*:1])n1
CCCNC(=S)NNC(=O)c1ccc(C)c(OC)c1 CCC[*:1] COc1cc(ccc1C)C(=O)NNC(=S)N[*:1]
O=C(NCc1ccccc1)[C@@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 c1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccnc(n1)-c1ccc(F)cc1
O=C(NCc1ccccc1)[C@@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 c1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1ccnc(n1)-c1ccc(F)cc1
O=C(NCc1ccccc1)[C@@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 Fc1ccc(cc1)[*:1] O=C(NCc1ccccc1)[C@@H]1CCCN(C1)c1ccnc(n1)[*:1]
CCN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2)S/C1=N\c1ccc(C)c(C)c1 Brc1ccc(cc1)[*:1] CCN1C(=O)C[C@@H](S/C1=N\c1ccc(C)c(C)c1)C(=O)N[*:1]
CCN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2)S/C1=N\c1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CCN1C(=O)C[C@@H](SC1=N[*:1])C(=O)Nc1ccc(Br)cc1
CCOc1cc(CN(C)C(=O)C2CC2)ccc1OC(F)F CCO[*:1] CN(Cc1ccc(OC(F)F)c(c1)[*:1])C(=O)C1CC1
CCOc1cc(CN(C)C(=O)C2CC2)ccc1OC(F)F C1CC1[*:1] CCOc1cc(ccc1OC(F)F)CN(C)C(=O)[*:1]
CCOc1cc(CN(C)C(=O)C2CC2)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(ccc1[*:1])CN(C)C(=O)C1CC1
CCOc1cc(CN(C)C(=O)C2CC2)ccc1OC(F)F FC(F)[*:1] CCOc1cc(ccc1O[*:1])CN(C)C(=O)C1CC1
CCOc1cc(CN(C)C(=O)C2CC2)ccc1OC(F)F CN(C(=O)C1CC1)[*:1] CCOc1cc(ccc1OC(F)F)C[*:1]
CCCNC(=O)C(CC)CC CCC[*:1] CCC(CC)C(=O)N[*:1]
Cc1cncc(NC(=O)C(=O)N[C@H](CCCO)c2ccccc2)c1 Cc1cncc(c1)[*:1] O=C(N[C@H](CCCO)c1ccccc1)C(=O)N[*:1]
Cc1cncc(NC(=O)C(=O)N[C@H](CCCO)c2ccccc2)c1 OCCC[*:1] Cc1cncc(c1)NC(=O)C(=O)N[C@H](c1ccccc1)[*:1]
Cc1cncc(NC(=O)C(=O)N[C@H](CCCO)c2ccccc2)c1 OCC[*:1] Cc1cncc(c1)NC(=O)C(=O)N[C@H](C[*:1])c1ccccc1
Cc1cncc(NC(=O)C(=O)N[C@H](CCCO)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)C(=O)N[C@H](CCCO)[*:1]
Cc1nc2c(sc3nc(-c4ccccc4)ccc32)c(=O)n1CC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2c(sc3nc(ccc32)[*:1])c(=O)n1CC(=O)NCc1ccccc1
Cc1nc2c(sc3nc(-c4ccccc4)ccc32)c(=O)n1CC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2c(sc3nc(ccc32)-c2ccccc2)c(=O)n1CC(=O)NC[*:1]
Cc1nc2c(sc3nc(-c4ccccc4)ccc32)c(=O)n1CC(=O)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] Cc1nc2c(sc3nc(ccc32)-c2ccccc2)c(=O)n1C[*:1]
Cc1nc2c(sc3nc(-c4ccccc4)ccc32)c(=O)n1CC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc2c(sc3nc(ccc32)-c2ccccc2)c(=O)n1CC(=O)N[*:1]
COCCN(C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 COCC[*:1] CN(C(=O)/C=C/c1cc(Cl)c2OCCOc2c1)[*:1]
COCCN(C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 COC[*:1] CN(C[*:1])C(=O)/C=C/c1cc(Cl)c2OCCOc2c1
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc[nH]c1=O O=c1[nH]cccc1[*:1] O=C(NNC(=O)[*:1])c1cc(nc2ccccc12)-c1ccco1
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc[nH]c1=O c1coc(c1)[*:1] O=C(NNC(=O)c1cc(nc2ccccc12)[*:1])c1ccc[nH]c1=O
COC(=O)COc1cccc(CNC2Cc3ccccc3C2)c1 COC(=O)[*:1] c1cc(cc(c1)OC[*:1])CNC1Cc2ccccc2C1
COC(=O)COc1cccc(CNC2Cc3ccccc3C2)c1 COC(=O)CO[*:1] c1cc(cc(c1)[*:1])CNC1Cc2ccccc2C1
COC(=O)COc1cccc(CNC2Cc3ccccc3C2)c1 COC(=O)C[*:1] c1cc(cc(c1)O[*:1])CNC1Cc2ccccc2C1
COCCc1noc(CN(C)C(=O)c2c(C)cc(C)cc2C)n1 COC[*:1] Cc1cc(C)c(C(=O)N(C)Cc2nc(C[*:1])no2)c(C)c1
COCCc1noc(CN(C)C(=O)c2c(C)cc(C)cc2C)n1 COCC[*:1] Cc1cc(C)c(C(=O)N(C)Cc2nc(no2)[*:1])c(C)c1
CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Cc1ccccc1[*:1] CC[C@H](C)NC(=O)[C@@H](NC(=O)[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1
CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(CC1)C(=O)[*:1]
CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Cc1ccccc1C(=O)N[*:1] CC[C@H](C)NC(=O)[C@@H](C1CCN(CC1)C(=O)c1ccc(Cl)cc1)[*:1]
CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 CC[C@H](C)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1nn(cc1/C=C(/C#N)C(=O)NC[C@H]1CCCO1)[*:1]
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c1 COc1cccc(c1)[*:1] N#C/C(=C/c1cn(nc1[*:1])-c1ccccc1)C(=O)NC[C@H]1CCCO1
CCOC(=O)[C@@H](C)[C@H](C(C)C)[NH+]1CCOCC1 CCOC(=O)[*:1] CC(C)[C@@H]([C@H](C)[*:1])[NH+]1CCOCC1
CCOC(=O)[C@@H](C)[C@H](C(C)C)[NH+]1CCOCC1 CC(C)[*:1] CCOC(=O)[C@@H](C)[C@H]([NH+]1CCOCC1)[*:1]
CC[NH2+][C@@H](CSC1CCCCC1)[C@H]1CCOC2(CCC2)C1 C1CCC(CC1)[*:1] CC[NH2+][C@@H](CS[*:1])[C@H]1CCOC2(CCC2)C1
CC[NH2+][C@@H](CSC1CCCCC1)[C@H]1CCOC2(CCC2)C1 C1CCC(CC1)S[*:1] CC[NH2+][C@@H](C[*:1])[C@H]1CCOC2(CCC2)C1
C[C@H](c1cc(F)ccc1F)N(C)C(=O)C[C@](O)(c1nccn1C)C(F)(F)F Fc1ccc(F)c(c1)[*:1] C[C@H](N(C)C(=O)C[C@](O)(c1nccn1C)C(F)(F)F)[*:1]
C[C@H](c1cc(F)ccc1F)N(C)C(=O)C[C@](O)(c1nccn1C)C(F)(F)F FC(F)(F)[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)C[C@](O)(c1nccn1C)[*:1]
C[C@H](c1cc(F)ccc1F)N(C)C(=O)C[C@](O)(c1nccn1C)C(F)(F)F Cn1ccnc1[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)C[C@](O)(C(F)(F)F)[*:1]
Cc1ccc(-n2c(SCC(=O)C3=NC=CC3)nc3ccccc3c2=O)nc1 Cc1ccc(nc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])C1CC=CN=1
C=CC[C@H]([NH2+][C@H]1CCN(C(=O)NCC)C1)c1ccccc1F Fc1ccccc1[*:1] C=CC[C@H]([NH2+][C@H]1CCN(C1)C(=O)NCC)[*:1]
C=CC[C@H]([NH2+][C@H]1CCN(C(=O)NCC)C1)c1ccccc1F C=CC[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@H](c1ccccc1F)[*:1]
CCC1=C(C)N(C(C)(C)C(=O)[O-])N(C(=O)C(C)C)c2ccccc21 CC(C)[*:1] CCC1=C(C)N(N(C(=O)[*:1])c2ccccc21)C(C)(C)C(=O)[O-]
CCC1=C(C)N(C(C)(C)C(=O)[O-])N(C(=O)C(C)C)c2ccccc21 O=C([O-])[*:1] CCC1=C(C)N(N(C(=O)C(C)C)c2ccccc21)C(C)(C)[*:1]
COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccc3ccccc3c2)c(OC)c1)C(F)(F)F COC(=O)[*:1] COc1cc(ccc1NC(=O)Nc1ccc2ccccc2c1)[C@](O)(C(F)(F)F)[*:1]
COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccc3ccccc3c2)c(OC)c1)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccc3ccccc3c2)c(c1)OC)[*:1]
COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccc3ccccc3c2)c(OC)c1)C(F)(F)F c1ccc2cc(ccc2c1)[*:1] COC(=O)[C@@](O)(c1ccc(NC(=O)N[*:1])c(c1)OC)C(F)(F)F
CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 CC(C)[*:1] O=C(NCc1[nH+]ccn1C[*:1])c1cc(nc2ccc(F)cc12)C1CC1
CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 CC(C)C[*:1] O=C(NCc1[nH+]ccn1[*:1])c1cc(nc2ccc(F)cc12)C1CC1
CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 C1CC1[*:1] CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(nc2ccc(F)cc12)[*:1]
CC/N=C1/S[C@H](CC(=O)NC(N)=O)C(=O)N1CC NC(=O)NC(=O)[*:1] CC/N=C1/S[C@H](C[*:1])C(=O)N1CC
C[C@H]1C[C@@H]([NH2+]C[C@H](O)C2CCOCC2)c2ccsc2S1 C1CC(CCO1)[*:1] C[C@H]1C[C@@H]([NH2+]C[C@H](O)[*:1])c2ccsc2S1
CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 CC[C@H](C)[*:1] O=C(NCc1ccccn1)[C@@H](c1ccccc1)[*:1]
CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)[*:1]
CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 c1ccc(C[*:1])nc1 CC[C@H](C)[C@@H](C(=O)N[*:1])c1ccccc1
CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 c1ccc(nc1)[*:1] CC[C@H](C)[C@@H](C(=O)NC[*:1])c1ccccc1
CSC[C@@H](C)C(=O)NC(C)(C)C(=O)N(C)C CSC[*:1] C[C@@H](C(=O)NC(C)(C)C(=O)N(C)C)[*:1]
CSC[C@@H](C)C(=O)NC(C)(C)C(=O)N(C)C CN(C)C(=O)[*:1] CSC[C@@H](C)C(=O)NC(C)(C)[*:1]
CSC[C@@H](C)C(=O)NC(C)(C)C(=O)N(C)C CSC[C@@H](C)[*:1] CN(C)C(=O)C(C)(C)NC(=O)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)c2ccccn2)c1 c1ccc(nc1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)c2ccccn2)c1 CNC(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1ccccn1
C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)[*:1]
C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)[*:1]
CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2C(C)C)C1 CC(C)[*:1] CC(C)c1ccccc1NC(=O)C(=O)NC[C@@H]1CN(CCO1)C[*:1]
CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2C(C)C)C1 CC(C)C[*:1] CC(C)c1ccccc1NC(=O)C(=O)NC[C@@H]1CN(CCO1)[*:1]
CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2C(C)C)C1 CC(C)[*:1] CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2[*:1])C1
Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)cc1C C1CN(CCO1)CC[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C1C[C@@H](CN1[*:1])c1nc2ccccc2n1CCN1CCOCC1
Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)cc1C C1CN(CCO1)C[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)cc1C C1CN(CCO1)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)c1nc2ccccc2n1CC[*:1]
O=C([O-])c1cc(-c2ccccn2)nc2ccc(F)cc12 O=C([O-])[*:1] Fc1ccc2nc(cc(c2c1)[*:1])-c1ccccn1
O=C([O-])c1cc(-c2ccccn2)nc2ccc(F)cc12 c1ccc(nc1)[*:1] O=C([O-])c1cc(nc2ccc(F)cc12)[*:1]
C=CCO[C@@H](C)C(=O)Nc1cccc(F)c1I C=CCO[*:1] C[C@@H](C(=O)Nc1cccc(F)c1I)[*:1]
C=CCO[C@@H](C)C(=O)Nc1cccc(F)c1I C=CC[*:1] C[C@H](O[*:1])C(=O)Nc1cccc(F)c1I
O=C(NCc1cc(-c2cccnc2)no1)[C@H]1COc2ccccc2C1 c1cncc(c1)[*:1] O=C(NCc1cc(no1)[*:1])[C@H]1COc2ccccc2C1
C[C@H](C(=O)NCc1cccs1)[S@@](=O)Cc1cccc2ccccc12 c1csc(c1)[*:1] C[C@H](C(=O)NC[*:1])[S@@](=O)Cc1cccc2ccccc12
C[C@H](C(=O)NCc1cccs1)[S@@](=O)Cc1cccc2ccccc12 c1csc(c1)C[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1cccc2ccccc12
Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] c1ccc2sc(nc2c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)[C@@H]1CC=CC[C@@H]1[*:1]
Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1
CCC(CC)c1cc(C)nn2cc(C)nc12 CCC(CC)[*:1] Cc1cn2nc(C)cc(c2n1)[*:1]
CCCn1nccc1C(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CCCn1nccc1C(=O)N[C@@H]1CC(=O)N(C1)C[*:1]
CCCn1nccc1C(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 CCC[*:1] O=C(N[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccnn1[*:1]
CCCn1nccc1C(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] CCCn1nccc1C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CCCn1nccc1C(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 CCCn1nccc1[*:1] O=C1C[C@H](CN1CCc1ccccc1)NC(=O)[*:1]
CCCn1nccc1C(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] CCCn1nccc1C(=O)N[C@@H]1CC(=O)N(CC[*:1])C1
Cc1ccccc1-c1cc2c(N3CCCCC3)nccn2n1 C1CCN(CC1)[*:1] Cc1ccccc1-c1cc2c(nccn2n1)[*:1]
Cc1ccccc1-c1cc2c(N3CCCCC3)nccn2n1 Cc1ccccc1[*:1] c1cn2nc(cc2c(n1)N1CCCCC1)[*:1]
CS(=O)(=O)CC(=O)N[C@@H]1CC[NH2+]C1 CS(=O)(=O)[*:1] O=C(C[*:1])N[C@@H]1CC[NH2+]C1
Cc1cc(CC(=O)NC[C@H]2CCCO2)no1 C1CO[C@H](C1)[*:1] Cc1cc(CC(=O)NC[*:1])no1
CCn1c(SCC(N)=O)nc2scc(-c3ccc(Cl)cc3)c2c1=O NC(=O)[*:1] CCn1c(nc2scc(-c3ccc(Cl)cc3)c2c1=O)SC[*:1]
CCn1c(SCC(N)=O)nc2scc(-c3ccc(Cl)cc3)c2c1=O NC(=O)CS[*:1] CCn1c(nc2scc(-c3ccc(Cl)cc3)c2c1=O)[*:1]
CCn1c(SCC(N)=O)nc2scc(-c3ccc(Cl)cc3)c2c1=O Clc1ccc(cc1)[*:1] CCn1c(nc2scc(c2c1=O)[*:1])SCC(N)=O
CCn1c(SCC(N)=O)nc2scc(-c3ccc(Cl)cc3)c2c1=O NC(=O)C[*:1] CCn1c(nc2scc(-c3ccc(Cl)cc3)c2c1=O)S[*:1]
O=C(NCC#CCOc1ccc2c(c1)OCO2)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(NCC#CCOc1ccc2OCOc2c1)[*:1]
COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)c1 Clc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)C[C@@H]1C(=O)Nc2nc(nn21)[*:1]
COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)c1 COc1ccc(OC)c(c1)[*:1] O=C(C[C@@H]1C(=O)Nc2nc(nn21)-c1ccc(Cl)cc1)N[*:1]
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 c1cc2CCCc2cc1[*:1] C[C@@H](O[*:1])C(=O)N1CCC[C@H](C1)C(=O)Nc1ccccc1
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc2CCCc2c1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 O=C(Nc1ccccc1)[*:1] C[C@@H](Oc1ccc2CCCc2c1)C(=O)N1CCC[C@@H](C1)[*:1]
CC1(NC(=O)Cc2ccc(Cl)cc2)Cc2ccccc2C1 Clc1ccc(cc1)[*:1] CC1(Cc2ccccc2C1)NC(=O)C[*:1]
Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])N1CCOC1=O
Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cc(F)cc(F)c1 O=C1OCCN1[*:1] Cc1ccc(cc1NC(=O)c1cc(F)cc(F)c1)[*:1]
Cc1cccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1Cl Cc1cccc(c1Cl)[*:1] O=C(N[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
Cc1cccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1Cl O=[N+]([O-])[*:1] Cc1cccc(NC(=O)N2CCc3ccc(cc3C2)[*:1])c1Cl
C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(cc1)C[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 FC(F)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(cc1)CS(=O)(=O)[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 O=S(=O)(C[*:1])C(F)F C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(cc1)[*:1]
CC(=O)C1=C(C)C(/C([O-])=N/c2nnc(C)s2)=N[C@@H]1C Cc1nnc(s1)[*:1] CC(=O)C1=C(C)C(=N[C@@H]1C)C([O-])=N[*:1]
CC(=O)C1=C(C)C(/C([O-])=N/c2nnc(C)s2)=N[C@@H]1C CC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])/C([O-])=N/c1nnc(C)s1
COc1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CSc1ncc(o1)[*:1]
COc1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1 COc1cccc(c1)[*:1] O=C(CSc1ncc(o1)-c1ccc(F)cc1)N[*:1]
CC[C@@H](C(=O)Cc1ccccc1)C(=O)OC COC(=O)[*:1] CC[C@@H](C(=O)Cc1ccccc1)[*:1]
C[C@H](NC(=O)CC1CCCCC1)C(=O)NCC1([NH+](C)C)CCOCC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)C[*:1])C(=O)NCC1(CCOCC1)[NH+](C)C
C[C@H](NC(=O)CC1CCCCC1)C(=O)NCC1([NH+](C)C)CCOCC1 C1CCC(CC1)C[*:1] C[C@H](NC(=O)[*:1])C(=O)NCC1(CCOCC1)[NH+](C)C
CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc12 CC(C)[*:1] CC[C@@H]1CN(CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc12)C(=O)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 CCCC[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N1CCC(CC1)C(=O)N(C)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 CCCCN(C)C(=O)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N1CCC(CC1)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 Cc1ccc(s1)[*:1] CCCCN(C)C(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 CCC[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N1CCC(CC1)C(=O)N(C)C[*:1]
CC[C@H]([NH3+])[C@H](SCc1cc(C)cc(C)c1)c1cccs1 c1csc(c1)[*:1] CC[C@H]([NH3+])[C@H](SCc1cc(C)cc(C)c1)[*:1]
O=C(COc1cccc(Cl)c1Cl)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(COc1cccc(Cl)c1Cl)N1CCC[C@@H]1[*:1]
CC[C@H](C)[C@@](C)(O)C1(C#N)CCC(C)(C)CC1 CC[C@H](C)[*:1] CC1(C)CCC(C#N)(CC1)[C@@](C)(O)[*:1]
CCCC(=O)N1CSC[C@H]1C(=O)Nc1c(C)cc(C)nc1Cl CCC[*:1] Cc1cc(C)c(NC(=O)[C@@H]2CSCN2C(=O)[*:1])c(Cl)n1
Cc1cccc(Nc2nc(C(=O)Nc3nc(-c4cccnc4)cs3)cs2)n1 c1cncc(c1)[*:1] Cc1cccc(n1)Nc1nc(cs1)C(=O)Nc1nc(cs1)[*:1]
Cc1cccc(Nc2nc(C(=O)Nc3nc(-c4cccnc4)cs3)cs2)n1 Cc1cccc(n1)[*:1] O=C(Nc1nc(cs1)-c1cccnc1)c1csc(n1)N[*:1]
Cc1cccc(Nc2nc(C(=O)Nc3nc(-c4cccnc4)cs3)cs2)n1 Cc1cccc(n1)N[*:1] O=C(Nc1nc(cs1)-c1cccnc1)c1csc(n1)[*:1]
COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 CC(=O)N[*:1] COc1ccc(cc1NS(=O)(=O)c1ccc2OCCOc2c1)[*:1]
CC(=O)Nc1cccc(C[NH2+][C@H](c2ccc(C)cc2)C2CC2)c1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H]([NH2+]Cc1cccc(c1)[*:1])C1CC1
CC(=O)Nc1cccc(C[NH2+][C@H](c2ccc(C)cc2)C2CC2)c1 Cc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)C[NH2+][C@H](C1CC1)[*:1]
CC(=O)Nc1cccc(C[NH2+][C@H](c2ccc(C)cc2)C2CC2)c1 C1CC1[*:1] CC(=O)Nc1cccc(c1)C[NH2+][C@H](c1ccc(C)cc1)[*:1]
COc1c(F)c(F)cc2c(=O)c(C(=O)N3[C@@H](C)CCC[C@H]3C)cn(C3CC3)c12 C1CC1[*:1] COc1c(F)c(F)cc2c(=O)c(cn(c12)[*:1])C(=O)N1[C@@H](C)CCC[C@H]1C
C=CCN1C[C@@H](C)C(=O)Nc2ccccc21 C=CC[*:1] C[C@@H]1CN(c2ccccc2NC1=O)[*:1]
Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](c1ccccc1)N1CCCCC1=O O=C1CCCCN1[*:1] Cc1ccc(cc1OC(=O)[C@H](c1ccccc1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](c1ccccc1)N1CCCCC1=O O=[N+]([O-])[*:1] Cc1ccc(cc1OC(=O)[C@H](c1ccccc1)N1CCCCC1=O)[*:1]
Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](c1ccccc1)N1CCCCC1=O c1ccc(cc1)[*:1] Cc1ccc(cc1OC(=O)[C@H](N1CCCCC1=O)[*:1])[N+](=O)[O-]
CN(C)C(=O)[C@H](Sc1nc2ncccn2n1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](Sc1nc2ncccn2n1)[*:1]
CN(C)C(=O)[C@H](Sc1nc2ncccn2n1)c1ccccc1 CN(C)C(=O)[*:1] c1ccc(cc1)[C@@H](Sc1nc2ncccn2n1)[*:1]
COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)[O-])cc1OC Fc1ccc(cc1)[*:1] COc1cc(NS(=O)(=O)[*:1])c(cc1OC)C(=O)[O-]
COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)[O-])cc1OC O=C([O-])[*:1] COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(cc1OC)[*:1]
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C[C@@H](O)[*:1]
CSCCC[NH+](C)CC(C)(C)C[NH3+] CSCC[*:1] C[NH+](CC(C)(C)C[NH3+])C[*:1]
CSCCC[NH+](C)CC(C)(C)C[NH3+] CSC[*:1] C[NH+](CC[*:1])CC(C)(C)C[NH3+]
C[C@@H]1COC2(CCN(C(=O)c3ccco3)CC2)O1 c1coc(c1)[*:1] C[C@@H]1COC2(CCN(CC2)C(=O)[*:1])O1
CCOCCN(C)C(=O)N[C@@H]1C[C@@H](OCC)C12CCCC2 CCO[*:1] CCOCCN(C)C(=O)N[C@@H]1C[C@@H](C12CCCC2)[*:1]
CCOCCN(C)C(=O)N[C@@H]1C[C@@H](OCC)C12CCCC2 CCOC[*:1] CCO[C@@H]1C[C@@H](NC(=O)N(C)C[*:1])C12CCCC2
CCOCCN(C)C(=O)N[C@@H]1C[C@@H](OCC)C12CCCC2 CCOCC[*:1] CCO[C@@H]1C[C@@H](NC(=O)N(C)[*:1])C12CCCC2
CCOCCN(C)C(=O)N[C@@H]1C[C@@H](OCC)C12CCCC2 CCO[*:1] CCO[C@@H]1C[C@@H](NC(=O)N(C)CC[*:1])C12CCCC2
CC[C@H](C)[C@@H](C)NC(=O)c1cccc(-c2n[nH]c(C)n2)c1 Cc1nc(n[nH]1)[*:1] CC[C@H](C)[C@@H](C)NC(=O)c1cccc(c1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)c1cccc(-c2n[nH]c(C)n2)c1 CC[C@H](C)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)N[C@H](C)[*:1]
CCOC(=O)c1c[nH+]c2ccccc2c1NCc1ccnn1C Cn1nccc1C[*:1] CCOC(=O)c1c[nH+]c2ccccc2c1N[*:1]
CCOC(=O)c1c[nH+]c2ccccc2c1NCc1ccnn1C Cn1nccc1[*:1] CCOC(=O)c1c[nH+]c2ccccc2c1NC[*:1]
CCOC(=O)c1c[nH+]c2ccccc2c1NCc1ccnn1C CCOC(=O)[*:1] Cn1nccc1CNc1c(c[nH+]c2ccccc12)[*:1]
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N(C)[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)c1cccc(c1)CNC(=O)N(C)[C@@H](C)[*:1]
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N(C)[C@@H](C)c2ccccc2)c1 CC[C@@H](C)NC(=O)[*:1] C[C@@H](c1ccccc1)N(C)C(=O)NCc1cccc(c1)[*:1]
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N(C)[C@@H](C)c2ccccc2)c1 CC[C@@H](C)[*:1] C[C@@H](c1ccccc1)N(C)C(=O)NCc1cccc(c1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N(C)[C@@H](C)c2ccccc2)c1 C[C@@H](c1ccccc1)[*:1] CC[C@@H](C)NC(=O)c1cccc(c1)CNC(=O)N(C)[*:1]
COc1ccc(/C=N/Nc2cccc(C(=O)[O-])c2)cc1O O=C([O-])[*:1] COc1ccc(/C=N/Nc2cccc(c2)[*:1])cc1O
O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc[nH]2)CC1 Clc1ccc(cc1)[*:1] O=C(Cc1ccc[nH]1)N1CCN(CC1)C(=O)C[*:1]
O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc[nH]2)CC1 Clc1ccc(cc1)C[*:1] O=C(Cc1ccc[nH]1)N1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)[*:1] O=C(Cc1ccc(Cl)cc1)N1CCN(CC1)C(=O)C[*:1]
O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)C[*:1] O=C(Cc1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2F)n1 Cc1cc(C)n(n1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1ccc(c(F)c1)[*:1]
COC(=O)C1=C(C)N=C(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)[C@H]1C Clc1ccccc1C[*:1] COC(=O)C1=C(C)N=C(C(=O)N2CCC(CC2)CC(=O)N[*:1])[C@H]1C
COC(=O)C1=C(C)N=C(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)[C@H]1C COC(=O)[*:1] CC1N=C(C(=O)N2CCC(CC2)CC(=O)NCc2ccccc2Cl)[C@@H](C)C=1[*:1]
COC(=O)C1=C(C)N=C(C(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)[C@H]1C Clc1ccccc1[*:1] COC(=O)C1=C(C)N=C(C(=O)N2CCC(CC2)CC(=O)NC[*:1])[C@H]1C
C[NH2+][C@@H](c1ccc2c(c1)OCO2)[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] C[NH2+][C@@H](c1ccc2OCOc2c1)[C@H](C)[*:1]
CC[C@H]1CCCC[C@@H]1C1(C(=O)[O-])CC1 O=C([O-])[*:1] CC[C@H]1CCCC[C@@H]1C1(CC1)[*:1]
COC[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccco1 c1coc(c1)[*:1] COC[C@@H]([NH2+][C@H](C)c1ccc(cc1)S(N)(=O)=O)[*:1]
COC[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccco1 NS(=O)(=O)[*:1] COC[C@@H]([NH2+][C@H](C)c1ccc(cc1)[*:1])c1ccco1
COC[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccco1 COC[*:1] C[C@@H]([NH2+][C@@H](c1ccco1)[*:1])c1ccc(cc1)S(N)(=O)=O
COc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4ccccn4)cs3)s2)cc1 COc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)Nc1nc(cs1)-c1ccccn1)[*:1]
COc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4ccccn4)cs3)s2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)-c1nc(C)c(s1)C(=O)Nc1nc(cs1)[*:1]
CCN1CCO[C@@H](CN2CCN(CCCl)CC2)C1 ClCC[*:1] CCN1CCO[C@H](C1)CN1CCN(CC1)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)C2CCN(C(N)=O)CC2)cc1 CN(C)C(=O)[*:1] NC(=O)N1CCC(CC1)C(=O)NCc1ccc(cc1)[*:1]
CCN1CCO[C@@H](C(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)C1 C1CCC(C1)O[*:1] CCN1CCO[C@H](C1)C(=O)N[C@@H](C)c1ccc(c(c1)OC)[*:1]
CCN1CCO[C@@H](C(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)C1 C1CCC(C1)[*:1] CCN1CCO[C@H](C1)C(=O)N[C@@H](C)c1ccc(O[*:1])c(c1)OC
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)NCc3ccc(C)s3)C2)c1 CCOC(=O)[*:1] Cc1ccc(CNC(=O)N2CCC[C@H](C2)n2cc(cn2)[*:1])s1
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)NCc3ccc(C)s3)C2)c1 Cc1ccc(C[*:1])s1 CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)N[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)NCc3ccc(C)s3)C2)c1 Cc1ccc(s1)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)NC[*:1]
CCC1(CNC(=O)[C@H]2COc3ccccc3O2)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])[C@H]1COc2ccccc2O1
CC[C@H](C)[C@H]1Nc2ccc(C(=O)N3CCOCC3)cc2NC1=O CC[C@H](C)[*:1] O=C1Nc2cc(ccc2N[C@@H]1[*:1])C(=O)N1CCOCC1
Cc1ccc(C(=O)NC2=c3ccccc3=[NH+][C@@H]2C(=O)NCCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NC1=c2ccccc2=[NH+][C@@H]1C(=O)NCC[*:1]
Cc1ccc(C(=O)NC2=c3ccccc3=[NH+][C@@H]2C(=O)NCCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)NC1=c2ccccc2=[NH+][C@@H]1C(=O)NC[*:1]
Cc1ccc(C(=O)NC2=c3ccccc3=[NH+][C@@H]2C(=O)NCCc2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1ccc(Cl)cc1)[C@H]1[NH+]=c2ccccc2=C1NC(=O)[*:1]
Cc1ccc(C(=O)NC2=c3ccccc3=[NH+][C@@H]2C(=O)NCCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)CC[*:1] Cc1ccc(cc1)C(=O)NC1=c2ccccc2=[NH+][C@@H]1C(=O)N[*:1]
Cc1ccc(C(=O)NC2=c3ccccc3=[NH+][C@@H]2C(=O)NCCc2ccc(Cl)cc2)cc1 Cc1ccc(cc1)C(=O)N[*:1] O=C(NCCc1ccc(Cl)cc1)[C@H]1[NH+]=c2ccccc2=C1[*:1]
Cc1ccc([C@H](C)N(C)C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)NC1CCN(CC1)C(=O)c1ccco1)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)NC1CCN(CC1)C(=O)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 Cc1ccc(cc1)[C@H](C)[*:1] CN(C(=O)NC1CCN(CC1)C(=O)c1ccco1)[*:1]
Cc1nc(C)n(-c2ccc(C(=O)N(C)[C@@H]3CCc4ccccc4C3)cc2)n1 Cc1nc(C)n(n1)[*:1] CN(C(=O)c1ccc(cc1)[*:1])[C@@H]1CCc2ccccc2C1
COCc1c(C(=O)N2CCC[C@@H]2c2cccs2)oc2ccccc12 COC[*:1] O=C(c1oc2ccccc2c1[*:1])N1CCC[C@@H]1c1cccs1
COCc1c(C(=O)N2CCC[C@@H]2c2cccs2)oc2ccccc12 c1csc(c1)[*:1] COCc1c(oc2ccccc12)C(=O)N1CCC[C@H]1[*:1]
CC(=O)c1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] CC(=O)c1cccc(c1)NC(=O)Cc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 CC(=O)[*:1] O=C(Cc1cccc(c1)C(F)(F)F)Nc1cccc(c1)[*:1]
CC(=O)c1ccc(NCCc2ncc(C)s2)c([N+](=O)[O-])c1 CC(=O)[*:1] Cc1cnc(CCNc2ccc(cc2[N+](=O)[O-])[*:1])s1
CC(=O)c1ccc(NCCc2ncc(C)s2)c([N+](=O)[O-])c1 Cc1cnc(C[*:1])s1 CC(=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
CC(=O)c1ccc(NCCc2ncc(C)s2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(NCCc2ncc(C)s2)c(c1)[*:1]
CC(=O)c1ccc(NCCc2ncc(C)s2)c([N+](=O)[O-])c1 Cc1cnc(s1)[*:1] CC(=O)c1ccc(NCC[*:1])c(c1)[N+](=O)[O-]
COc1ccc(-c2noc(-c3nnn(CC(=O)Nc4ccc(C)cc4C)c3N)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(NC(=O)Cn2nnc(-c3nc(no3)[*:1])c2N)c(C)c1
COc1ccc(-c2noc(-c3nnn(CC(=O)Nc4ccc(C)cc4C)c3N)n2)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)-c1noc(n1)-c1nnn(CC(=O)N[*:1])c1N
COc1cc(Cl)c(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1Cl C1Cc2nnc(n2C1)[*:1] COc1cc(Cl)c(cc1Cl)CN1CCC[C@H](C1)[*:1]
Brc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1cccs1)N2 c1csc(c1)[*:1] Brc1ccc2N[C@@H]([C@@H]3CCO[C@@H]3c2c1)[*:1]
Cc1ccc(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)s1 Cc1ccc(s1)[*:1] O=C(NCc1ccc(cc1)NC(=O)c1ccncc1)N[*:1]
Cc1ccc(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)s1 c1cc(ccn1)[*:1] Cc1ccc(NC(=O)NCc2ccc(cc2)NC(=O)[*:1])s1
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC(C)C[*:1] O=C(N[C@H](C(=O)NC1CCN(CC1)C(=O)c1ccoc1)[*:1])c1ccc(Cl)cc1
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC(C)[*:1] O=C(N[C@@H](C[*:1])C(=O)NC1CCN(CC1)C(=O)c1ccoc1)c1ccc(Cl)cc1
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(CC1)C(=O)[*:1]
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 Clc1ccc(cc1)[*:1] CC(C)C[C@H](NC(=O)[*:1])C(=O)NC1CCN(CC1)C(=O)c1ccoc1
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 O=C(N[*:1])c1ccc(Cl)cc1 CC(C)C[C@H](C(=O)NC1CCN(CC1)C(=O)c1ccoc1)[*:1]
COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(Cl)cc1 Cc1ccc(cc1)[*:1] COCCCN1C(=O)c2[nH]nc(c2[C@@H]1c1ccc(Cl)cc1)[*:1]
COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@H]1[*:1]
COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(Cl)cc1 COCC[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[*:1])[C@@H](c3ccc(Cl)cc3)c12
COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(Cl)cc1 COC[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(CC[*:1])[C@@H](c3ccc(Cl)cc3)c12
COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(Cl)cc1 COCCC[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N([C@@H](c3ccc(Cl)cc3)c12)[*:1]
COC(=O)c1ccc(Cn2ccc3ccc(OC)cc3c2=O)c(F)c1 COC(=O)[*:1] COc1ccc2ccn(Cc3ccc(cc3F)[*:1])c(=O)c2c1
C[C@@H](NC(=O)NNC(=O)C(C)(C)C)c1noc(-c2ccc(Cl)cc2)n1 CC(C)(C)[*:1] C[C@@H](NC(=O)NNC(=O)[*:1])c1noc(n1)-c1ccc(Cl)cc1
C[C@@H](NC(=O)NNC(=O)C(C)(C)C)c1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)NNC(=O)C(C)(C)C)c1noc(n1)[*:1]
CCCN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCN(C(=O)c1ccc(CC)c(c1)[N+](=O)[O-])[*:1]
CCCN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] CCCN(C(=O)c1ccc(CC)c(c1)[*:1])[C@H]1CCS(=O)(=O)C1
CCCN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
C/C(Cn1nnc2ccccc21)=N/OC(=O)c1ccccc1 c1ccc(cc1)[*:1] C/C(Cn1nnc2ccccc21)=N/OC(=O)[*:1]
C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NC1CC1 C[C@H](C(=O)NC1CC1)[*:1] c1csc(c1)-c1nc(S[*:1])c2ccccc2n1
C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NC1CC1 C1CC1[*:1] C[C@H](Sc1nc(nc2ccccc12)-c1cccs1)C(=O)N[*:1]
C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@H](Sc1nc(nc2ccccc12)-c1cccs1)[*:1]
C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NC1CC1 c1csc(c1)[*:1] C[C@H](Sc1nc(nc2ccccc12)[*:1])C(=O)NC1CC1
Nc1c(O)cc(S(=O)(=O)[O-])c2[nH]ncc12 O=S(=O)([O-])[*:1] Nc1c(O)cc(c2[nH]ncc12)[*:1]
CCC1(CC)[C@@H](NS(C)(=O)=O)[C@@H](C)[C@@H]1OC CS(=O)(=O)N[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1[*:1]
O=C(Cc1ccc(-n2cccn2)cc1)N1CC[C@H]2CCCC[C@@H]21 c1cnn(c1)[*:1] O=C(Cc1ccc(cc1)[*:1])N1CC[C@H]2CCCC[C@@H]21
Cc1nc(S[C@H](C)C(=O)Nc2ccccc2F)c2c3c(sc2n1)CCCC3 Fc1ccccc1[*:1] Cc1nc(S[C@H](C)C(=O)N[*:1])c2c3CCCCc3sc2n1
C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC3(CCCCC3)CC2)C1=O Fc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)N2CCC3(CCCCC3)CC2)C1=O)[*:1]
CC(=O)c1ccc(OCCSCC(C)C)cc1 CC(C)C[*:1] CC(=O)c1ccc(cc1)OCCS[*:1]
CC(=O)c1ccc(OCCSCC(C)C)cc1 CC(=O)[*:1] CC(C)CSCCOc1ccc(cc1)[*:1]
CC(=O)c1ccc(OCCSCC(C)C)cc1 CC(C)CS[*:1] CC(=O)c1ccc(cc1)OCC[*:1]
CC(=O)c1ccc(OCCSCC(C)C)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)OCCSC[*:1]
Cc1oc(-c2ccccc2)nc1C(=O)NC12CC3CC(CC(C3)C1)C2 c1ccc(cc1)[*:1] Cc1oc(nc1C(=O)NC12CC3CC(CC(C3)C1)C2)[*:1]
CC(C)Cc1csc2nc(Cc3nccn3Cc3ccccc3)[nH]c(=O)c12 CC(C)C[*:1] O=c1[nH]c(Cc2nccn2Cc2ccccc2)nc2scc(c12)[*:1]
CC(C)Cc1csc2nc(Cc3nccn3Cc3ccccc3)[nH]c(=O)c12 c1ccc(cc1)C[*:1] CC(C)Cc1csc2nc(Cc3nccn3[*:1])[nH]c(=O)c12
CC(C)Cc1csc2nc(Cc3nccn3Cc3ccccc3)[nH]c(=O)c12 CC(C)[*:1] O=c1[nH]c(Cc2nccn2Cc2ccccc2)nc2scc(C[*:1])c12
CC(C)Cc1csc2nc(Cc3nccn3Cc3ccccc3)[nH]c(=O)c12 c1ccc(cc1)[*:1] CC(C)Cc1csc2nc(Cc3nccn3C[*:1])[nH]c(=O)c12
C=CC[NH2+]Cc1nc(-c2nc[nH]n2)no1 C=CC[*:1] c1nc(n[nH]1)-c1noc(C[NH2+][*:1])n1
C=CC[NH2+]Cc1nc(-c2nc[nH]n2)no1 C=CC[NH2+]C[*:1] c1nc(n[nH]1)-c1noc(n1)[*:1]
C=CC[NH2+]Cc1nc(-c2nc[nH]n2)no1 c1nc(n[nH]1)[*:1] C=CC[NH2+]Cc1nc(no1)[*:1]
O=C1CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccccc12 O=C1CCCC[C@H]1[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H]1[*:1]
OC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C(F)(F)F FC(F)(F)[*:1] OC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)[*:1]
OC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C(F)(F)F O[C@@H](C(F)(F)F)[*:1] OC[C@@H](Cc1ccccc1)[NH2+]C[*:1]
OC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C(F)(F)F c1ccc(cc1)[*:1] OC[C@@H](C[*:1])[NH2+]C[C@@H](O)C(F)(F)F
Cc1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(Cc1cc(Cl)c2OCCOc2c1)N[*:1]
COc1cccc(CNC(=O)NCC(C)(C)c2ccncc2)c1OC c1cc(ccn1)[*:1] COc1cccc(CNC(=O)NCC(C)(C)[*:1])c1OC
CCc1ccccc1OC(=O)CCN1C(=O)c2ccccc2C1=O CCc1ccccc1[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)O[*:1]
COCCNC(=O)CNc1nc2cc(C(F)(F)F)ccc2s1 FC(F)(F)[*:1] COCCNC(=O)CNc1nc2cc(ccc2s1)[*:1]
COCCNC(=O)CNc1nc2cc(C(F)(F)F)ccc2s1 COC[*:1] O=C(CNc1nc2cc(ccc2s1)C(F)(F)F)NC[*:1]
COCCNC(=O)CNc1nc2cc(C(F)(F)F)ccc2s1 COCC[*:1] O=C(CNc1nc2cc(ccc2s1)C(F)(F)F)N[*:1]
COCCNC(=O)CNc1nc2cc(C(F)(F)F)ccc2s1 COCCNC(=O)[*:1] FC(F)(F)c1ccc2sc(nc2c1)NC[*:1]
CN(CCS(C)(=O)=O)C(=O)CCc1ccc(-c2ccccc2F)o1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)CCc1ccc(o1)-c1ccccc1F
CN(CCS(C)(=O)=O)C(=O)CCc1ccc(-c2ccccc2F)o1 CS(=O)(=O)CC[*:1] CN(C(=O)CCc1ccc(o1)-c1ccccc1F)[*:1]
CN(CCS(C)(=O)=O)C(=O)CCc1ccc(-c2ccccc2F)o1 Fc1ccccc1[*:1] CN(CCS(C)(=O)=O)C(=O)CCc1ccc(o1)[*:1]
CN(CCS(C)(=O)=O)C(=O)CCc1ccc(-c2ccccc2F)o1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)CCc1ccc(o1)-c1ccccc1F
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1(C(N)=O)CCCC1 NC(=O)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)NC1(CCCC1)[*:1]
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1(C(N)=O)CCCC1 NC(=O)C1(CCCC1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[*:1]
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1(C(N)=O)CCCC1 CC(C)(C)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])C(=O)NC1(CCCC1)C(N)=O
NC(=O)c1cccnc1N1CCN(CN2CCCCC2=O)CC1 O=C1CCCCN1[*:1] NC(=O)c1cccnc1N1CCN(CC1)C[*:1]
NC(=O)c1cccnc1N1CCN(CN2CCCCC2=O)CC1 NC(=O)[*:1] O=C1CCCCN1CN1CCN(CC1)c1ncccc1[*:1]
CCCc1c(/C([O-])=N/S(=O)(=O)c2ccccc2C)[nH]c(C)c1C(C)=O CCC[*:1] CC(=O)c1c(C)[nH]c(/C([O-])=N/S(=O)(=O)c2ccccc2C)c1[*:1]
CCCc1c(/C([O-])=N/S(=O)(=O)c2ccccc2C)[nH]c(C)c1C(C)=O Cc1ccccc1[*:1] CCCc1c([nH]c(C)c1C(C)=O)/C([O-])=N/S(=O)(=O)[*:1]
CCCc1c(/C([O-])=N/S(=O)(=O)c2ccccc2C)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCCc1c([nH]c(C)c1[*:1])/C([O-])=N/S(=O)(=O)c1ccccc1C
CCc1cc(NC(=O)Cc2cccc(OC)c2)nn1-c1ccccc1 COc1cccc(c1)[*:1] CCc1cc(nn1-c1ccccc1)NC(=O)C[*:1]
CCc1cc(NC(=O)Cc2cccc(OC)c2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCc1cc(nn1[*:1])NC(=O)Cc1cccc(c1)OC
COc1ccc(-n2c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3cccnc32)cc1 FC(F)(F)c1cccc(c1)[*:1] COc1ccc(cc1)-n1c(=O)n(CC(=O)N[*:1])c(=O)c2cccnc21
COc1ccc(-n2c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3cccnc32)cc1 COc1ccc(cc1)[*:1] O=C(Cn1c(=O)c2cccnc2n(c1=O)[*:1])Nc1cccc(c1)C(F)(F)F
COc1ccc(-n2c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3cccnc32)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-n1c(=O)n(CC(=O)Nc2cccc(c2)[*:1])c(=O)c2cccnc21
C[C@H](C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1nncn1C Cn1cnnc1[*:1] C[C@H](C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)[*:1]
C[C@H](NC(=O)c1ccccc1)C(=O)NCC(F)(F)F c1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCC(F)(F)F
C[C@H](NC(=O)c1ccccc1)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
C[C@H](NC(=O)c1ccccc1)C(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)NC[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)N[C@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N[C@H]1C[C@H]1[*:1]
CC(C)CC[C@H](O)[C@@H]1CCOC2(CCCC2)C1 CC(C)[*:1] O[C@@H](CC[*:1])[C@@H]1CCOC2(CCCC2)C1
CC(C)CC[C@H](O)[C@@H]1CCOC2(CCCC2)C1 CC(C)C[*:1] O[C@@H](C[*:1])[C@@H]1CCOC2(CCCC2)C1
CC(C)CC[C@H](O)[C@@H]1CCOC2(CCCC2)C1 CC(C)CC[*:1] O[C@H]([C@@H]1CCOC2(CCCC2)C1)[*:1]
CCn1cc(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)cn1 CCn1cc(cn1)[*:1] C[C@H](c1nc(no1)-c1ccccc1)N1CCN(CC1)C[*:1]
CCn1cc(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)CN1CCN(CC1)[C@H](C)c1nc(no1)[*:1]
CCn1cc(CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)cn1 CCn1cc(cn1)C[*:1] C[C@H](c1nc(no1)-c1ccccc1)N1CCN(CC1)[*:1]
COc1ccccc1NC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccccc1NC1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
COc1ccccc1NC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 COc1ccccc1N[*:1] O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(CC1)[*:1]
COc1ccccc1NC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 COc1ccccc1[*:1] O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(CC1)N[*:1]
CC(C)CN1CCN(C(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 CC(C)C[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)C(=O)N1CCN(CC1)[*:1]
CC(C)CN1CCN(C(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 C1CC1[*:1] CC(C)CN1CCN(CC1)C(=O)C(=O)Nc1ccc2nc(oc2c1)[*:1]
CC(C)CN1CCN(C(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 CC(C)[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)C(=O)N1CCN(CC1)C[*:1]
CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)C2CC2)C1 c1ccc(cc1)[*:1] CCNC(=O)[C@]1(CCCN(C1)C(=O)C1CC1)Cc1cc(no1)[*:1]
CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)C2CC2)C1 CCNC(=O)[*:1] O=C(C1CC1)N1CCC[C@](Cc2cc(no2)-c2ccccc2)(C1)[*:1]
CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)C2CC2)C1 C1CC1[*:1] CCNC(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1cc(no1)-c1ccccc1
COc1ccc(NC(=S)NC(=O)c2ccccc2OC(C)C)cc1Cl CC(C)O[*:1] COc1ccc(cc1Cl)NC(=S)NC(=O)c1ccccc1[*:1]
COc1ccc(NC(=S)NC(=O)c2ccccc2OC(C)C)cc1Cl CC(C)[*:1] COc1ccc(cc1Cl)NC(=S)NC(=O)c1ccccc1O[*:1]
CCc1ccc(C2=C[C@H](C(=O)N/N=C/c3ccc(C)cc3)N=N2)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)C1=C[C@@H](N=N1)C(=O)NN=C[*:1]
CCc1ccc(C2=C[C@H](C(=O)N/N=C/c3ccc(C)cc3)N=N2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(/C=N/NC(=O)[C@H]2C=C(N=N2)[*:1])cc1
Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c(C)c2c1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc2oc(C(=O)Nc3ccc(cc3)[*:1])c(C)c2c1
CC(C)[C@H](NC(=O)[C@H](C)OCC1CC1)c1ccccn1 C1CC1C[*:1] CC(C)[C@H](NC(=O)[C@H](C)O[*:1])c1ccccn1
CC(C)[C@H](NC(=O)[C@H](C)OCC1CC1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)[C@H](C)OCC1CC1)[*:1]
CC(C)[C@H](NC(=O)[C@H](C)OCC1CC1)c1ccccn1 C1CC1[*:1] CC(C)[C@H](NC(=O)[C@H](C)OC[*:1])c1ccccn1
CC(C)[C@H](NC(=O)[C@H](C)OCC1CC1)c1ccccn1 CC(C)[*:1] C[C@H](OCC1CC1)C(=O)N[C@H](c1ccccn1)[*:1]
CC(C)[C@H](NC(=O)[C@H](C)OCC1CC1)c1ccccn1 C1CC1CO[*:1] CC(C)[C@H](NC(=O)[C@H](C)[*:1])c1ccccn1
C[C@H]1CN(Cc2cccc(CNC(=O)[C@@H]3CCO[C@@H]3C)c2)CCO1 C[C@H]1CN(CCO1)[*:1] C[C@H]1OCC[C@H]1C(=O)NCc1cccc(c1)C[*:1]
C[C@H]1CN(Cc2cccc(CNC(=O)[C@@H]3CCO[C@@H]3C)c2)CCO1 C[C@H]1CN(CCO1)C[*:1] C[C@H]1OCC[C@H]1C(=O)NCc1cccc(c1)[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(=O)n(C)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)O[*:1]
CC1=C[C@@H]([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)CC2=C1C(=O)N(c1ccc(C)cc1)C2=O Cc1ccc(cc1)[*:1] CC1=C[C@H](CC2C(=O)N(C(=O)C=21)c1ccc(C)cc1)[C@H]1CC(=O)N(C1=O)[*:1]
CC1=C[C@@H]([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)CC2=C1C(=O)N(c1ccc(C)cc1)C2=O Cc1ccc(cc1)[*:1] CC1=C[C@H](CC2C(=O)N(C(=O)C=21)[*:1])[C@H]1CC(=O)N(C1=O)c1ccc(C)cc1
COC(=O)c1cc(C(C)(C)C)cc2c(=O)osc12 CC(C)(C)[*:1] COC(=O)c1cc(cc2c(=O)osc12)[*:1]
COC(=O)c1cc(C(C)(C)C)cc2c(=O)osc12 COC(=O)[*:1] CC(C)(C)c1cc(c2soc(=O)c2c1)[*:1]
CC[C@H](NC(=O)C(C)(C)C)c1nc(C(F)(F)F)cs1 CC(C)(C)[*:1] CC[C@H](NC(=O)[*:1])c1nc(cs1)C(F)(F)F
CC[C@H](NC(=O)C(C)(C)C)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@H](NC(=O)C(C)(C)C)c1nc(cs1)[*:1]
COC(OC)[C@H](C)NC(=O)C[NH2+]C(C)(C)C COC(OC)[*:1] C[C@H](NC(=O)C[NH2+]C(C)(C)C)[*:1]
COC(OC)[C@H](C)NC(=O)C[NH2+]C(C)(C)C CC(C)(C)[*:1] COC(OC)[C@H](C)NC(=O)C[NH2+][*:1]
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)CCl)cc2)n1 CC(C)(CCl)C(=O)N[*:1] Cc1ccnc(n1)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)CCl)cc2)n1 CC(C)(CCl)[*:1] Cc1ccnc(n1)[N-]S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(C)n1 Fc1ccc(cc1)[*:1] Cc1ccc(C(=O)N2CCN(CC2)C(c2ccc(F)cc2)[*:1])c(C)n1
Cc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(C)n1 Cc1ccc(c(C)n1)[*:1] O=C(N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)[*:1]
C[NH+](C)C(C)(C)CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] C[NH+](C)C(C)(C)CNC(=O)N1CCO[C@H](C1)[*:1]
Cc1ccc([C@@H](CNC(=O)c2cccc3ccccc23)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)c1cccc2ccccc12)[*:1]
Cc1ccc([C@@H](CNC(=O)c2cccc3ccccc23)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1cccc2ccccc12
O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1F)c1cc(F)cc(F)c1 Fc1ccccc1C[*:1] O=S(=O)(c1ccc2nncn2c1)N(c1cc(F)cc(F)c1)[*:1]
O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1F)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1F)[*:1]
O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1F)c1cc(F)cc(F)c1 c1cc2nncn2cc1[*:1] O=S(=O)(N(Cc1ccccc1F)c1cc(F)cc(F)c1)[*:1]
O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1F)c1cc(F)cc(F)c1 Fc1ccccc1[*:1] O=S(=O)(c1ccc2nncn2c1)N(C[*:1])c1cc(F)cc(F)c1
Cc1nc(Cc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cs1 Cc1nc(cs1)[*:1] Clc1ccc(cc1Cl)-c1csc(C[*:1])n1
CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4[nH]ncc4c3)ccc2Cl)cc1 CCO[*:1] O=C(Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4[nH]ncc4c3)ccc2Cl)cc1 c1cc2[nH]ncc2cc1[*:1] CCOc1ccc(cc1)NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4[nH]ncc4c3)ccc2Cl)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
C[C@H](c1ccccn1)[C@H](N)C(F)(F)F FC(F)(F)[*:1] C[C@H](c1ccccn1)[C@H](N)[*:1]
Cc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 c1ccc2c(c[nH]c2c1)[*:1] Cc1ccc(cc1)NC(=O)CN1C(=O)N[C@@H](C[*:1])C1=O
Cc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N[*:1]
CCC[C@H](C)CS(=O)(=O)N1CCn2c(nn(C)c2=O)C1 CCC[C@H](C)[*:1] Cn1nc2CN(CCn2c1=O)S(=O)(=O)C[*:1]
CCC[C@H](C)CS(=O)(=O)N1CCn2c(nn(C)c2=O)C1 CCC[C@H](C)C[*:1] Cn1nc2CN(CCn2c1=O)S(=O)(=O)[*:1]
CCC[C@H](C)CS(=O)(=O)N1CCn2c(nn(C)c2=O)C1 CCC[*:1] C[C@H](CS(=O)(=O)N1CCn2c(C1)nn(C)c2=O)[*:1]
Oc1ccc(OCC2CC2)cc1 C1CC1C[*:1] Oc1ccc(cc1)O[*:1]
Oc1ccc(OCC2CC2)cc1 C1CC1[*:1] Oc1ccc(cc1)OC[*:1]
CCn1cc(CNC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cn1 CCn1cc(cn1)[*:1] CCn1ncc2c(cc(nc21)-c1ccccc1)C(=O)NC[*:1]
CCn1cc(CNC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cn1 CCn1cc(cn1)C[*:1] CCn1ncc2c(cc(nc21)-c1ccccc1)C(=O)N[*:1]
CCn1cc(CNC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)CNC(=O)c1cc(nc2c1cnn2CC)[*:1]
Cc1nc2c(-c3cccs3)nc(=O)n(Cc3ccc(Cl)cc3Cl)c2s1 c1csc(c1)[*:1] Cc1nc2c(nc(=O)n(Cc3ccc(Cl)cc3Cl)c2s1)[*:1]
Cc1nc2c(-c3cccs3)nc(=O)n(Cc3ccc(Cl)cc3Cl)c2s1 Clc1ccc(c(Cl)c1)[*:1] Cc1nc2c(nc(=O)n(C[*:1])c2s1)-c1cccs1
Cc1ccc([C@H](C)N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)[*:1]
Cc1ccc([C@H](C)N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1F Fc1ccc(cc1)[*:1] Cc1ccc(cc1F)[C@H](C)N[C@@H](C(=O)NC1CC1)[*:1]
Cc1ccc([C@H](C)N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1F O=C(NC1CC1)[*:1] Cc1ccc(cc1F)[C@H](C)N[C@@H](c1ccc(F)cc1)[*:1]
Cc1ccc([C@H](C)N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1F C1CC1[*:1] Cc1ccc(cc1F)[C@H](C)N[C@@H](C(=O)N[*:1])c1ccc(F)cc1
CC(C)Oc1ccccc1CN1C(=O)CNC(=O)c2ccccc21 CC(C)[*:1] O=C1NCC(=O)N(Cc2ccccc2O[*:1])c2ccccc21
CC(C)Oc1ccccc1CN1C(=O)CNC(=O)c2ccccc21 CC(C)O[*:1] O=C1NCC(=O)N(Cc2ccccc2[*:1])c2ccccc21
C[C@@H](O)CON1C(=O)c2ccccc2C1=O C[C@@H](O)C[*:1] O=C1c2ccccc2C(=O)N1O[*:1]
C[C@@H](O)CON1C(=O)c2ccccc2C1=O C[C@@H](O)[*:1] O=C1c2ccccc2C(=O)N1OC[*:1]
CCN(CCC#N)C(=O)c1c(O)cc(F)cc1F N#CCC[*:1] CCN(C(=O)c1c(O)cc(F)cc1F)[*:1]
CCN(CCC#N)C(=O)c1c(O)cc(F)cc1F N#CC[*:1] CCN(C[*:1])C(=O)c1c(O)cc(F)cc1F
CC[C@H](NS(=O)(=O)c1cnn(CC)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](NS(=O)(=O)c1cnn(c1)CC)[*:1]
CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4cccnc4)[C@@H]32)cc1 c1cncc(c1)[*:1] CCOc1ccc(cc1)[C@@H]1Oc2ccc(Cl)cc2C2=Nc3ncnn3[C@H]([C@@H]21)[*:1]
CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4cccnc4)[C@@H]32)cc1 CCO[*:1] Clc1ccc2O[C@@H](c3ccc(cc3)[*:1])[C@@H]3C(=Nc4ncnn4[C@@H]3c3cccnc3)c2c1
CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4cccnc4)[C@@H]32)cc1 CCOc1ccc(cc1)[*:1] Clc1ccc2O[C@H]([C@@H]3C(=Nc4ncnn4[C@@H]3c3cccnc3)c2c1)[*:1]
CC(C)COC(=O)/C(C#N)=C/C=C\c1ccccc1 c1ccc(cc1)[*:1] CC(C)COC(=O)/C(C#N)=C/C=C[*:1]
CC(C)COC(=O)/C(C#N)=C/C=C\c1ccccc1 CC(C)[*:1] N#C/C(=C\C=C/c1ccccc1)C(=O)OC[*:1]
CC(C)COC(=O)/C(C#N)=C/C=C\c1ccccc1 CC(C)C[*:1] N#C/C(=C\C=C/c1ccccc1)C(=O)O[*:1]
CC1=CC(C)=N[C@@H]1C1=CCN(C(=O)c2cc(-c3ccccc3)oc2C)N1 c1ccc(cc1)[*:1] CC1=CC(C)=N[C@@H]1C1=CCN(N1)C(=O)c1cc(oc1C)[*:1]
Cc1cc(C)n(-c2cncc(N(C)Cc3nc(-c4cccnc4)no3)n2)n1 c1cncc(c1)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)N(C)Cc1nc(no1)[*:1]
Cc1cc(C)n(-c2cncc(N(C)Cc3nc(-c4cccnc4)no3)n2)n1 Cc1cc(C)n(n1)[*:1] CN(Cc1nc(no1)-c1cccnc1)c1cncc(n1)[*:1]
CCn1ccnc(NCc2cccc(-c3ccccn3)c2)c1=O c1ccc(nc1)[*:1] CCn1ccnc(NCc2cccc(c2)[*:1])c1=O
Cc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)NC4CC4)[C@@H]4C=C[C@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 O=C(NC1CCCC1)[*:1] Cc1ccc(cc1)CN1C(=O)[C@H]2[C@H](C(=O)NC3CC3)[C@@H]3C=C[C@]2(O3)[C@H]1[*:1]
Cc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)NC4CC4)[C@@H]4C=C[C@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 C1CC1[*:1] Cc1ccc(cc1)CN1C(=O)[C@H]2[C@H](C(=O)N[*:1])[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCC1
Cc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)NC4CC4)[C@@H]4C=C[C@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)CN1C(=O)[C@H]2[C@H]([C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCC1)[*:1]
Cc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)NC4CC4)[C@@H]4C=C[C@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 Cc1ccc(cc1)C[*:1] O=C(NC1CC1)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@H]1C(=O)N([C@H]3C(=O)NC1CCCC1)[*:1]
Cc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)NC4CC4)[C@@H]4C=C[C@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)CN1C(=O)[C@H]2[C@H](C(=O)NC3CC3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)N[*:1]
Cc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)NC4CC4)[C@@H]4C=C[C@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CC1)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@H]1C(=O)N(C[*:1])[C@H]3C(=O)NC1CCCC1
C[C@H](CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C[C@@H](C)O Cn1cc(cn1)[*:1] C[C@H](CNC(=O)N[C@@H]1CCCN(C1)[*:1])C[C@@H](C)O
C[C@H](CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)N[C@@H]1CCCN(C1)c1cnn(C)c1)C[*:1]
C[C@H](CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)N[C@@H]1CCCN(C1)c1cnn(C)c1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 CCC[C@@H](C)NC(=O)[*:1] N#Cc1cc(ccc1F)NC(=O)N1CCC[C@H](C1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 CCC[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)Nc1ccc(F)c(C#N)c1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 CCC[C@@H](C)[*:1] N#Cc1cc(ccc1F)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(-n2cncn2)nc1 c1cc(cs1)C[*:1] C[C@@H](N(C)C(=O)c1ccc(nc1)-n1cncn1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(-n2cncn2)nc1 c1ncn(n1)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(nc1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(-n2cncn2)nc1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccc(nc1)-n1cncn1
C[C@@H]1CCC[C@@H](CCOc2cccc(C(=O)NCC(N)=O)c2)C1 NC(=O)[*:1] C[C@@H]1CCC[C@@H](CCOc2cccc(c2)C(=O)NC[*:1])C1
C[C@@H]1CCC[C@@H](CCOc2cccc(C(=O)NCC(N)=O)c2)C1 NC(=O)CNC(=O)[*:1] C[C@@H]1CCC[C@@H](CCOc2cccc(c2)[*:1])C1
C[C@@H]1CCC[C@@H](CCOc2cccc(C(=O)NCC(N)=O)c2)C1 NC(=O)C[*:1] C[C@@H]1CCC[C@@H](CCOc2cccc(c2)C(=O)N[*:1])C1
Cc1ccsc1-c1cccc(NC(=O)COc2ccc(C(N)=O)cc2)c1 Cc1ccsc1[*:1] NC(=O)c1ccc(cc1)OCC(=O)Nc1cccc(c1)[*:1]
Cc1ccsc1-c1cccc(NC(=O)COc2ccc(C(N)=O)cc2)c1 NC(=O)[*:1] Cc1ccsc1-c1cccc(c1)NC(=O)COc1ccc(cc1)[*:1]
O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCCCC3)ccc21 O=C(N1CCCCC1)[*:1] O=C1O[C@@H](Cc2cc(ccc21)[*:1])c1ccccc1
O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCCCC3)ccc21 c1ccc(cc1)[*:1] O=C1O[C@H](Cc2cc(ccc21)C(=O)N1CCCCC1)[*:1]
Cc1cnn(Cc2ccc(NC(=O)C(C)(C)N3CC[NH+](C)CC3)cc2)c1 Cc1cnn(c1)C[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)Nc1ccc(cc1)[*:1]
Cc1cnn(Cc2ccc(NC(=O)C(C)(C)N3CC[NH+](C)CC3)cc2)c1 Cc1cnn(c1)[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)Nc1ccc(cc1)C[*:1]
CC[C@H]1CCCCN1c1ncnc(Nc2ccc(C)c(C)c2)c1N Cc1ccc(cc1C)[*:1] CC[C@H]1CCCCN1c1ncnc(N[*:1])c1N
CC[C@H]1CCCCN1c1ncnc(Nc2ccc(C)c(C)c2)c1N CC[C@H]1CCCCN1[*:1] Cc1ccc(cc1C)Nc1ncnc(c1N)[*:1]
O=C([O-])c1cncc(Sc2ccc(Cl)cn2)n1 O=C([O-])[*:1] Clc1ccc(nc1)Sc1cncc(n1)[*:1]
FC(F)(F)CC[NH+](Cc1cnn2c1NCCC2)C1CCCC1 FC(F)(F)C[*:1] c1nn2CCCNc2c1C[NH+](C[*:1])C1CCCC1
FC(F)(F)CC[NH+](Cc1cnn2c1NCCC2)C1CCCC1 FC(F)(F)CC[*:1] c1nn2CCCNc2c1C[NH+](C1CCCC1)[*:1]
FC(F)(F)CC[NH+](Cc1cnn2c1NCCC2)C1CCCC1 C1CCC(C1)[*:1] FC(F)(F)CC[NH+](Cc1cnn2CCCNc12)[*:1]
FC(F)(F)CC[NH+](Cc1cnn2c1NCCC2)C1CCCC1 FC(F)(F)[*:1] c1nn2CCCNc2c1C[NH+](CC[*:1])C1CCCC1
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCCC(N)=O NC(=O)C[*:1] Cc1ccc(cc1C(=O)NCC[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCCC(N)=O NC(=O)[*:1] Cc1ccc(cc1C(=O)NCCC[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCCC(N)=O CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)NCCCC(N)=O)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCCC(N)=O NC(=O)CCC[*:1] Cc1ccc(cc1C(=O)N[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCCC(N)=O NC(=O)CC[*:1] Cc1ccc(cc1C(=O)NC[*:1])S(C)(=O)=O
O=C1O/C(=C\N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2[C@H]2OC(=O)c3ccccc32)c2ccccc21 O=C1OC(=C[*:1])c2ccccc21 O=C1O[C@@H](c2ccccc21)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1[*:1]
O=C1O/C(=C\N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2[C@H]2OC(=O)c3ccccc32)c2ccccc21 O=C1O[C@@H](c2ccccc21)[*:1] O=C1O/C(=C\N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2[*:1])c2ccccc21
C#C[C@@](C)(CC)NC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O Clc1ccc(cc1)[*:1] C#C[C@@](C)(CC)NC(=O)c1cc2C(=O)CCCc2n(c1=O)[*:1]
CC(C)CC(C)(C)C(=O)NCCCc1nnc2ccccn12 CC(C)CC(C)(C)[*:1] O=C(NCCCc1nnc2ccccn12)[*:1]
CC(C)CC(C)(C)C(=O)NCCCc1nnc2ccccn12 CC(C)C[*:1] CC(C)(C(=O)NCCCc1nnc2ccccn12)[*:1]
CC(C)CC(C)(C)C(=O)NCCCc1nnc2ccccn12 CC(C)[*:1] CC(C)(C[*:1])C(=O)NCCCc1nnc2ccccn12
O=C(c1ccncc1)N1CCO[C@@H](c2ccccc2)C1 c1cc(ccn1)[*:1] O=C(N1CCO[C@H](C1)c1ccccc1)[*:1]
O=C(c1ccncc1)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccncc1)N1CCO[C@@H](C1)[*:1]
COc1ccc(-c2ccnc3c(-c4ccc(Br)cc4)cnn23)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1ccnc2c(cnn12)[*:1]
Cc1ccc(C(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)C(=O)[C@@H](C)[C@H](C)[*:1]
Cc1cc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c(C)o1 C[C@@H]1CCCC[C@@H]1[*:1] Cc1cc(C(=O)OCC(=O)N[*:1])c(C)o1
Cc1cc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)[*:1]
CCOC(OCC)[C@H]([NH3+])C[C@H]1Cc2ccccc21 CCO[*:1] CCOC([C@H]([NH3+])C[C@H]1Cc2ccccc21)[*:1]
CC(=O)[C@H](C)SCCc1ccc([N+](=O)[O-])cc1 CC(=O)[*:1] C[C@H](SCCc1ccc(cc1)[N+](=O)[O-])[*:1]
CC(=O)[C@H](C)SCCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)[C@H](C)SCCc1ccc(cc1)[*:1]
CC(=O)[C@H](C)SCCc1ccc([N+](=O)[O-])cc1 CC(=O)[C@H](C)[*:1] O=[N+]([O-])c1ccc(cc1)CCS[*:1]
Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccon2)c(F)c1 c1cc(C[*:1])no1 Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)[*:1])c(F)c1
Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccon2)c(F)c1 c1cc(no1)[*:1] Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)C[*:1])c(F)c1
COCCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] COCC[*:1] [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C[*:1]
COCCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] COC[*:1] [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CC[*:1]
COCCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] COCCC[*:1] [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[*:1]
Cc1n[nH]cc1CNC(=O)CSc1ccc(Br)cc1 Cc1n[nH]cc1[*:1] O=C(CSc1ccc(Br)cc1)NC[*:1]
CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 CC(C)(C)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccccc1C(=O)N1CCCCC1
CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] CC(C)(C)c1ccc(cc1)OCC(=O)Nc1ccccc1[*:1]
CCCCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 CCCC[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)C(F)F
CCCCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 CCC[*:1] O=C(NC[*:1])c1ccc(cc1)S(=O)(=O)C(F)F
CCCCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] CCCCNC(=O)c1ccc(cc1)S(=O)(=O)[*:1]
CCCCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] CCCCNC(=O)c1ccc(cc1)[*:1]
Cc1cccc([C@H]2CCCN2c2cc(C)c([N+](=O)[O-])cn2)c1 Cc1cccc(c1)[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCC[C@@H]1[*:1]
Cc1cccc([C@H]2CCCN2c2cc(C)c([N+](=O)[O-])cn2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)[C@H]1CCCN1c1cc(C)c(cn1)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CCc3c(O)cccc32)cc1 Cc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)N[C@@H]1CCc2c(O)cccc21)[*:1]
Cc1nn(C)cc1CN1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 O=C([O-])[*:1] Cc1nn(C)cc1CN1CCN(CC1)C(=O)Cn1ccc(n1)[*:1]
Cc1nn(C)cc1CN1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 Cc1nn(C)cc1C[*:1] O=C([O-])c1ccn(CC(=O)N2CCN(CC2)[*:1])n1
Cc1nn(C)cc1CN1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 Cc1nn(C)cc1[*:1] O=C([O-])c1ccn(CC(=O)N2CCN(CC2)C[*:1])n1
Cc1nn(C)cc1CN1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1 O=C([O-])c1ccn(n1)[*:1] Cc1nn(C)cc1CN1CCN(CC1)C(=O)C[*:1]
CN(C)c1nnc(S(=O)(=O)CCC(=O)Nc2ccccc2)s1 CN(C)[*:1] O=C(CCS(=O)(=O)c1nnc(s1)[*:1])Nc1ccccc1
CN(C)c1nnc(S(=O)(=O)CCC(=O)Nc2ccccc2)s1 c1ccc(cc1)[*:1] CN(C)c1nnc(s1)S(=O)(=O)CCC(=O)N[*:1]
COCc1nc(C)cc(N[C@@H]2CCCN(c3ccccc3F)C2=O)n1 Fc1ccccc1[*:1] COCc1nc(C)cc(n1)N[C@@H]1CCCN(C1=O)[*:1]
COCc1nc(C)cc(N[C@@H]2CCCN(c3ccccc3F)C2=O)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N[C@@H]1CCCN(C1=O)c1ccccc1F
CC[NH2+][C@@H]1CCC[C@H]1SC[C@@H](C)CO C[C@@H](CO)[*:1] CC[NH2+][C@@H]1CCC[C@H]1SC[*:1]
COCCNC(=O)[C@H]1COc2ccc(NC(=O)c3ccc(OC)cc3)cc2C1 COCC[*:1] COc1ccc(cc1)C(=O)Nc1ccc2OC[C@@H](Cc2c1)C(=O)N[*:1]
COCCNC(=O)[C@H]1COc2ccc(NC(=O)c3ccc(OC)cc3)cc2C1 COC[*:1] COc1ccc(cc1)C(=O)Nc1ccc2OC[C@@H](Cc2c1)C(=O)NC[*:1]
COCCNC(=O)[C@H]1COc2ccc(NC(=O)c3ccc(OC)cc3)cc2C1 COc1ccc(cc1)[*:1] COCCNC(=O)[C@H]1COc2ccc(cc2C1)NC(=O)[*:1]
COCCNC(=O)[C@H]1COc2ccc(NC(=O)c3ccc(OC)cc3)cc2C1 COCCNC(=O)[*:1] COc1ccc(cc1)C(=O)Nc1ccc2OC[C@@H](Cc2c1)[*:1]
COc1cc(C)ccc1NC(=O)C(=O)N[C@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] COc1cc(C)ccc1NC(=O)C(=O)N[C@H](C)[*:1]
Cn1cc([C@@H](CNC(=O)c2ccnc(OC3CCC3)c2)[NH+](C)C)cn1 C1CC(C1)O[*:1] Cn1cc(cn1)[C@@H](CNC(=O)c1ccnc(c1)[*:1])[NH+](C)C
Cn1cc([C@@H](CNC(=O)c2ccnc(OC3CCC3)c2)[NH+](C)C)cn1 C1CC(C1)[*:1] Cn1cc(cn1)[C@@H](CNC(=O)c1ccnc(c1)O[*:1])[NH+](C)C
Cn1cc([C@@H](CNC(=O)c2ccnc(OC3CCC3)c2)[NH+](C)C)cn1 Cn1cc(cn1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccnc(c1)OC1CCC1)[*:1]
Cc1onc(-c2c(Cl)cccc2Cl)c1[C@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1onc(-c2c(Cl)cccc2Cl)c1[C@H](O)[*:1]
CN(Cc1cc(Cl)cn1C)C(=O)Nc1c[nH]nc1-c1ccccn1 Cn1cc(Cl)cc1[*:1] CN(C[*:1])C(=O)Nc1c[nH]nc1-c1ccccn1
CN(Cc1cc(Cl)cn1C)C(=O)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] CN(Cc1cc(Cl)cn1C)C(=O)Nc1c[nH]nc1[*:1]
CN(Cc1cc(Cl)cn1C)C(=O)Nc1c[nH]nc1-c1ccccn1 Cn1cc(Cl)cc1C[*:1] CN(C(=O)Nc1c[nH]nc1-c1ccccn1)[*:1]
Cc1ccc(S(=O)(=O)CCCN2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CCCS(=O)(=O)[*:1])CC1
O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(CN1CCN(C1=O)c1cccc(Cl)c1)NC[*:1]
O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NC[C@H]1CCCO1 Clc1cccc(c1)[*:1] O=C(CN1CCN(C1=O)[*:1])NC[C@H]1CCCO1
O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(CN1CCN(C1=O)c1cccc(Cl)c1)N[*:1]
C[NH+]1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2)CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)c1ccc(cc1Cl)[*:1])c1ccc(F)cc1
C[NH+]1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)c1ccc(cc1Cl)[N+](=O)[O-])[*:1]
O=c1c2ccccc2nnn1Cc1csc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=c1c2ccccc2nnn1Cc1csc(c1)[*:1]
C[C@H]([NH2+]CC1(c2cccc(F)c2)CCOCC1)C(=O)Nc1c(F)cccc1F Fc1cccc(c1)[*:1] C[C@H]([NH2+]CC1(CCOCC1)[*:1])C(=O)Nc1c(F)cccc1F
C[C@H]([NH2+]CC1(c2cccc(F)c2)CCOCC1)C(=O)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@H]([NH2+]CC1(CCOCC1)c1cccc(F)c1)C(=O)N[*:1]
C=CCOc1ccc(OC(=O)C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] C=CCOc1ccc(cc1)OC(=O)[*:1]
C=CCOc1ccc(OC(=O)C[C@@H]2CCCO2)cc1 C=CC[*:1] O=C(C[C@@H]1CCCO1)Oc1ccc(cc1)O[*:1]
C=CCOc1ccc(OC(=O)C[C@@H]2CCCO2)cc1 C=CCO[*:1] O=C(C[C@@H]1CCCO1)Oc1ccc(cc1)[*:1]
C=CCOc1ccc(OC(=O)C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] C=CCOc1ccc(cc1)OC(=O)C[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CC(C)(C)C)cc21 CC(C)(C)CC(=O)N[*:1] C=CCN1C(=O)C(C)(C)COc2ccc(cc21)[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CC(C)(C)C)cc21 CC(C)(C)C[*:1] C=CCN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CC(C)(C)C)cc21 C=CC[*:1] CC(C)(C)CC(=O)Nc1ccc2OCC(C)(C)C(=O)N(c2c1)[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CC(C)(C)C)cc21 CC(C)(C)[*:1] C=CCN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)C[*:1]
CC(=O)N/C(=C/c1c[nH]c(-c2ccccc2)n1)C(=O)[O-] O=C([O-])[*:1] CC(=O)N/C(=C/c1c[nH]c(n1)-c1ccccc1)[*:1]
CC(=O)N/C(=C/c1c[nH]c(-c2ccccc2)n1)C(=O)[O-] c1ccc(cc1)[*:1] CC(=O)N/C(=C/c1c[nH]c(n1)[*:1])C(=O)[O-]
CC(=O)N/C(=C/c1c[nH]c(-c2ccccc2)n1)C(=O)[O-] CC(=O)N[*:1] O=C([O-])C(=Cc1c[nH]c(n1)-c1ccccc1)[*:1]
C[C@@H](c1nc(C2CCCC2)no1)[NH+]1CCSCC1 C1CCC(C1)[*:1] C[C@@H](c1nc(no1)[*:1])[NH+]1CCSCC1
COC(=O)c1ccc(O[C@H](C)C(=O)Nc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] COC(=O)c1ccc(cc1)O[C@H](C)C(=O)N[*:1]
COC(=O)c1ccc(O[C@H](C)C(=O)Nc2cccc(C)c2)cc1 COC(=O)[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)Oc1ccc(cc1)[*:1]
O=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1CSc2ccc(cc2N1)C(=O)OCC(=O)N[*:1]
Cc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1CN1CCCC1=O O=C1CCCN1[*:1] Cc1cccc(c1NC(=O)N1CCCC[C@@H]1C[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1CN1CCCC1=O O=C1CCCN1C[*:1] Cc1cccc(c1NC(=O)N1CCCC[C@H]1[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1CN1CCCC1=O CC(C)[*:1] Cc1cccc(c1NC(=O)N1CCCC[C@@H]1CN1CCCC1=O)[*:1]
Cc1ccc(-n2c(-c3ccn[nH]3)n[nH]c2=O)cc1C c1cc([nH]n1)[*:1] Cc1ccc(cc1C)-n1c(n[nH]c1=O)[*:1]
CCc1noc(CS(=O)(=O)CC(=O)N2C[C@H](C)C[C@@H](C)C2)n1 CCc1noc(n1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CS(=O)(=O)C[*:1]
CS[C@@H](C)C(=O)NCc1coc(-c2ccc(C)cc2)n1 CS[C@@H](C)[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)[*:1]
COC(=O)[C@]1(N)CCC[C@@H](Oc2ccccc2CO)C1 COC(=O)[*:1] N[C@@]1(CCC[C@H](C1)Oc1ccccc1CO)[*:1]
Cc1cscc1-c1nc(C2CCCC2)n[nH]1 C1CCC(C1)[*:1] Cc1cscc1-c1nc(n[nH]1)[*:1]
Cc1c(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C Clc1ccc(cc1)C[*:1] Cc1c(NC(=O)COC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C Clc1ccc(cc1)[*:1] Cc1c(NC(=O)COC(=O)C[*:1])c(=O)n(-c2ccccc2)n1C
O=C(NCCCOc1ccccc1)[C@@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(NCCCO[*:1])[C@@H]1CCCc2ccccc21
O=C(NCCCOc1ccccc1)[C@@H]1CCCc2ccccc21 c1ccc(cc1)O[*:1] O=C(NCCC[*:1])[C@@H]1CCCc2ccccc21
CC1=C(C(=O)Nc2cc(C(=O)NCCc3c(C)noc3C)ccc2C)SCCO1 Cc1noc(C)c1C[*:1] CC1OCCSC=1C(=O)Nc1cc(ccc1C)C(=O)NC[*:1]
CC1=C(C(=O)Nc2cc(C(=O)NCCc3c(C)noc3C)ccc2C)SCCO1 Cc1noc(C)c1[*:1] CC1OCCSC=1C(=O)Nc1cc(ccc1C)C(=O)NCC[*:1]
CC1=C(C(=O)Nc2cc(C(=O)NCCc3c(C)noc3C)ccc2C)SCCO1 Cc1noc(C)c1CC[*:1] CC1OCCSC=1C(=O)Nc1cc(ccc1C)C(=O)N[*:1]
CSc1cc(C(=O)Nc2c(C)cnn2-c2ccccc2)ccn1 c1ccc(cc1)[*:1] CSc1cc(ccn1)C(=O)Nc1c(C)cnn1[*:1]
COc1ccc(C)cc1NC(=O)[C@@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 COc1ccc(C)cc1[*:1] C[C@@H](CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)N[*:1]
CC(C)c1cc(C(=O)NCc2ccc(Cn3ccnc3)cc2)on1 CC(C)c1cc(on1)[*:1] O=C(NCc1ccc(cc1)Cn1ccnc1)[*:1]
CC(C)c1cc(C(=O)NCc2ccc(Cn3ccnc3)cc2)on1 CC(C)[*:1] O=C(NCc1ccc(cc1)Cn1ccnc1)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)NCc2ccc(Cn3ccnc3)cc2)on1 c1cn(cn1)C[*:1] CC(C)c1cc(on1)C(=O)NCc1ccc(cc1)[*:1]
CC(C)c1cc(C(=O)NCc2ccc(Cn3ccnc3)cc2)on1 c1cn(cn1)[*:1] CC(C)c1cc(on1)C(=O)NCc1ccc(cc1)C[*:1]
O=c1ccc([N+](=O)[O-])cn1CCCOc1ccc(F)cc1 O=[N+]([O-])[*:1] O=c1ccc(cn1CCCOc1ccc(F)cc1)[*:1]
O=c1ccc([N+](=O)[O-])cn1CCCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=c1ccc(cn1CCCO[*:1])[N+](=O)[O-]
CCOc1cc(CNc2cccc(C(=O)NC)n2)ccc1OC CNC(=O)[*:1] CCOc1cc(ccc1OC)CNc1cccc(n1)[*:1]
CCOc1cc(CNc2cccc(C(=O)NC)n2)ccc1OC CCO[*:1] CNC(=O)c1cccc(n1)NCc1ccc(OC)c(c1)[*:1]
CC(C)(C)C(=O)CSCc1cccnc1Cl CC(C)(C)[*:1] O=C(CSCc1cccnc1Cl)[*:1]
CCc1ccc([C@@H](CO)NC(=O)c2cnc([C@H]3CCCO3)s2)cc1 C1CO[C@H](C1)[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)c1cnc(s1)[*:1]
CCc1ccc([C@@H](CO)NC(=O)c2cnc([C@H]3CCCO3)s2)cc1 CCc1ccc(cc1)[*:1] O=C(N[C@H](CO)[*:1])c1cnc(s1)[C@H]1CCCO1
C[C@H](CCCO)[NH2+]Cc1nc2c(s1)CCC2 OCCC[*:1] C[C@H]([NH2+]Cc1nc2CCCc2s1)[*:1]
C[C@H](CCCO)[NH2+]Cc1nc2c(s1)CCC2 OCC[*:1] C[C@H](C[*:1])[NH2+]Cc1nc2CCCc2s1
CC(C)CNC(=O)c1c(N)n(/N=C/c2ccc(F)cc2)c2nc3ccccc3nc12 CC(C)[*:1] Nc1c(C(=O)NC[*:1])c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1
CC(C)CNC(=O)c1c(N)n(/N=C/c2ccc(F)cc2)c2nc3ccccc3nc12 CC(C)CNC(=O)[*:1] Nc1c(c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1)[*:1]
CC(C)CNC(=O)c1c(N)n(/N=C/c2ccc(F)cc2)c2nc3ccccc3nc12 Fc1ccc(cc1)[*:1] CC(C)CNC(=O)c1c(N)n(N=C[*:1])c2nc3ccccc3nc12
CC(C)CNC(=O)c1c(N)n(/N=C/c2ccc(F)cc2)c2nc3ccccc3nc12 CC(C)C[*:1] Nc1c(C(=O)N[*:1])c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1
Cc1[nH+]ccn1CCNS(=O)(=O)C(C)C CC(C)[*:1] Cc1[nH+]ccn1CCNS(=O)(=O)[*:1]
CC(C)CC[C@H]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C)C1 CC(C)CC[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C1)[*:1]
CC(C)CC[C@H]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C)C1 CC(C)C[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C1)C[*:1]
CC(C)CC[C@H]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C)C1 CC(C)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](CC[*:1])C1
Cc1nc(C)c(C(=O)NC[C@](C)(O)C(C)C)o1 CC(C)[*:1] Cc1nc(C)c(o1)C(=O)NC[C@](C)(O)[*:1]
CCC(=O)c1ccc(OC(=O)c2cnc([C@@H]3CCCO3)s2)cc1 CCC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1cnc(s1)[C@@H]1CCCO1
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc2c(CC(C)(C)C[C@@H]2NC(=O)C(=O)N[*:1])o1
CN(C)C(=O)c1cccc(NC(=O)NCCc2nc3ccccc3s2)c1 CN(C)C(=O)[*:1] O=C(NCCc1nc2ccccc2s1)Nc1cccc(c1)[*:1]
CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2)c1C FC(F)(F)[*:1] CCOC(=O)c1cnn(-c2ccc(cc2)NC(=O)N2CCC[C@@H](C2)[*:1])c1C
CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2)c1C CCOC(=O)[*:1] Cc1c(cnn1-c1ccc(cc1)NC(=O)N1CCC[C@H](C1)C(F)(F)F)[*:1]
COc1cc(Br)c([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1OC Cc1ccc(cc1)[*:1] COc1cc(Br)c(cc1OC)[C@H]1CC(=O)NC2C[C@H](CC(=O)C=21)[*:1]
O=C(NCC[C@@H](O)c1ccccc1)c1ccc(CN2C(=O)CCC2=O)cc1 c1ccc(cc1)[*:1] O=C(NCC[C@@H](O)[*:1])c1ccc(cc1)CN1C(=O)CCC1=O
O=C(NCC[C@@H](O)c1ccccc1)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1C[*:1] O=C(NCC[C@@H](O)c1ccccc1)c1ccc(cc1)[*:1]
O=C(NCC[C@@H](O)c1ccccc1)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] O=C(NCC[C@@H](O)c1ccccc1)c1ccc(cc1)C[*:1]
O=C(NCC[C@@H](O)c1ccccc1)c1ccc(CN2C(=O)CCC2=O)cc1 O[C@@H](c1ccccc1)[*:1] O=C(NCC[*:1])c1ccc(cc1)CN1C(=O)CCC1=O
O=C(NCC[C@@H](O)c1ccccc1)c1ccc(CN2C(=O)CCC2=O)cc1 O[C@H](C[*:1])c1ccccc1 O=C(NC[*:1])c1ccc(cc1)CN1C(=O)CCC1=O
Cc1cccc(C(=O)NC2=c3ccccc3=[NH+][C@H]2C(=O)N2CCN(c3cccc(C)c3)CC2)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)C(=O)NC1=c2ccccc2=[NH+][C@H]1C(=O)N1CCN(CC1)[*:1]
Cc1cccc(C(=O)NC2=c3ccccc3=[NH+][C@H]2C(=O)N2CCN(c3cccc(C)c3)CC2)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)[C@@H]1[NH+]=c2ccccc2=C1NC(=O)[*:1]
Cc1cccc(C(=O)NC2=c3ccccc3=[NH+][C@H]2C(=O)N2CCN(c3cccc(C)c3)CC2)c1 Cc1cccc(c1)C(=O)N[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)[C@@H]1[NH+]=c2ccccc2=C1[*:1]
Cc1csc([C@H](C)N2C(=O)[C@H]3CCCN3C(=O)[C@H]2C)n1 Cc1csc(n1)[*:1] C[C@H](N1C(=O)[C@H]2CCCN2C(=O)[C@H]1C)[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CS(=O)(=O)C[C@H]1Cl
C[C@H](Sc1nncn1C)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 Cn1cnnc1S[*:1] C[C@H](C(=O)NNC(=O)c1cc2C[C@H](C)CCc2s1)[*:1]
C[C@H](Sc1nncn1C)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 Cn1cnnc1[*:1] C[C@H](S[*:1])C(=O)NNC(=O)c1cc2C[C@H](C)CCc2s1
CCc1[nH+]ccn1CCNC(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC2)C1 O=C(N1CCCC1)[*:1] CCc1[nH+]ccn1CCNC(=O)[C@H]1C[NH2+]C[C@@H](C1)[*:1]
CC(C)[C@H](CCc1ccccc1)OC(=O)[C@@H]1COCCO1 c1ccc(cc1)C[*:1] CC(C)[C@H](C[*:1])OC(=O)[C@@H]1COCCO1
CC(C)[C@H](CCc1ccccc1)OC(=O)[C@@H]1COCCO1 CC(C)[*:1] O=C(O[C@@H](CCc1ccccc1)[*:1])[C@@H]1COCCO1
CC(C)[C@H](CCc1ccccc1)OC(=O)[C@@H]1COCCO1 c1ccc(cc1)[*:1] CC(C)[C@H](CC[*:1])OC(=O)[C@@H]1COCCO1
C[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1cc2ccccc2o1 c1cn(nn1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1cc2ccccc2o1
Cc1ccc(C)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)c1 Cc1ccc(C)c(c1)[*:1] O=C(OCC(=O)[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1
Cc1ccc(C)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)c1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(C)c(c1)C(=O)COC(=O)c1cc(c(Cl)cc1Cl)[*:1]
Cc1ccc(C)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)c1 Cc1ccc(C)c(c1)C(=O)[*:1] O=C(OC[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1
O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1csc(=O)[nH]1 O=c1[nH]c(cs1)[*:1] O=C(Cn1cc(ccc1=O)C(F)(F)F)NC[*:1]
O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1csc(=O)[nH]1 FC(F)(F)[*:1] O=C(Cn1cc(ccc1=O)[*:1])NCc1csc(=O)[nH]1
O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1csc(=O)[nH]1 O=c1[nH]c(cs1)C[*:1] O=C(Cn1cc(ccc1=O)C(F)(F)F)N[*:1]
CC(C)Cc1cc(C(=O)N[C@@H]2CN(C)S(=O)(=O)c3ccsc32)on1 CC(C)C[*:1] CN1C[C@@H](NC(=O)c2cc(no2)[*:1])c2sccc2S1(=O)=O
CC(C)Cc1cc(C(=O)N[C@@H]2CN(C)S(=O)(=O)c3ccsc32)on1 CC(C)[*:1] CN1C[C@@H](NC(=O)c2cc(C[*:1])no2)c2sccc2S1(=O)=O
CC(=O)N(C)[C@@H]1CCCN(CC[NH3+])C1 [NH3+]CC[*:1] CC(=O)N(C)[C@@H]1CCCN(C1)[*:1]
CCn1cc(NS(=O)(=O)c2cn(C)nc2C)c(C(=O)NC)n1 Cc1nn(C)cc1[*:1] CCn1cc(NS(=O)(=O)[*:1])c(n1)C(=O)NC
CCn1cc(NS(=O)(=O)c2cn(C)nc2C)c(C(=O)NC)n1 CNC(=O)[*:1] CCn1cc(NS(=O)(=O)c2cn(C)nc2C)c(n1)[*:1]
O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCCCC1 Fc1ccc(cc1)[*:1] O=C(c1csc2nc(cn12)[*:1])N1CCCCC1
c1ccc(-n2nnnc2COc2cccc3ccccc23)cc1 c1ccc(cc1)[*:1] c1ccc2c(cccc2c1)OCc1nnnn1[*:1]
CCn1c(Cc2ccccc2)nnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C c1ccc(cc1)[*:1] CCn1c(C[*:1])nnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C
CCn1c(Cc2ccccc2)nnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C c1ccc(cc1)C[*:1] CCn1c(nnc1[*:1])SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C
CC(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 CS(=O)(=O)[*:1] CC(C)Cc1ccc(cc1)C[NH2+][C@@H]1CCC[C@@H](C1)[*:1]
CC(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 CC(C)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)C[*:1]
CC(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 CC(C)C[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)n[nH]1 FC(F)(F)[*:1] CCOc1ccc(cc1NC(=O)c1cc(C)n[nH]1)[*:1]
CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)n[nH]1 CCO[*:1] Cc1cc([nH]n1)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)n[nH]1 Cc1cc([nH]n1)[*:1] CCOc1ccc(cc1NC(=O)[*:1])C(F)(F)F
CC(=O)c1cc(N)ccc1[N+](=O)[O-] CC(=O)[*:1] Nc1ccc(c(c1)[*:1])[N+](=O)[O-]
CC(=O)c1cc(N)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=O)c1cc(N)ccc1[*:1]
CCc1ccc(CCCC=O)nc1 O=CC[*:1] CCc1ccc(CC[*:1])nc1
CCc1ccc(CCCC=O)nc1 O=CCC[*:1] CCc1ccc(C[*:1])nc1
O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 Fc1cccc(c1)[*:1] O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(C[*:1])n1
O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 Fc1ccc(cc1)[*:1] O=C(N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1)[*:1]
O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 Fc1cccc(c1)C[*:1] O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(n1)[*:1]
CNC(=O)CC1CCN(C(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)CC1 CNC(=O)C[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)CC1 CNC(=O)[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCC(CC1)C[*:1]
Cc1cc(Br)ccc1C(=O)N1CCC[C@@H]1[C@H]1CCCC1=O O=C1CCC[C@@H]1[*:1] Cc1cc(Br)ccc1C(=O)N1CCC[C@H]1[*:1]
Cc1ccc2c(c1)[C@H](c1ccccc1)CC(=O)O2 c1ccc(cc1)[*:1] Cc1ccc2OC(=O)C[C@@H](c2c1)[*:1]
Cc1nc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)ccc1C#N c1ccc(cc1)[*:1] Cc1nc(ccc1C#N)C(=O)Nc1cccn(C[*:1])c1=O
Cc1nc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)ccc1C#N c1ccc(cc1)C[*:1] Cc1nc(ccc1C#N)C(=O)Nc1cccn(c1=O)[*:1]
O=C([C@H]1C=C(c2ccccc2)N=N1)N1CCCCCC1 c1ccc(cc1)[*:1] O=C([C@H]1C=C(N=N1)[*:1])N1CCCCCC1
COc1ccc(S(=O)(=O)N(C)[C@H](C)CC#N)cc1 N#CC[*:1] COc1ccc(cc1)S(=O)(=O)N(C)[C@H](C)[*:1]
Cc1[nH+]cnc(N2CCCC[C@@H]2C(=O)[O-])c1C O=C([O-])[*:1] Cc1[nH+]cnc(c1C)N1CCCC[C@H]1[*:1]
COc1ccc([C@@H]2CC([C@@H]3C(=O)[NH+]=c4ccc([N+](=O)[O-])cc4=C3c3ccccc3)=NN2)cc1OC COc1ccc(cc1OC)[*:1] O=C1[NH+]=c2ccc(cc2=C(c2ccccc2)[C@@H]1C1C[C@H](NN=1)[*:1])[N+](=O)[O-]
COc1ccc([C@@H]2CC([C@@H]3C(=O)[NH+]=c4ccc([N+](=O)[O-])cc4=C3c3ccccc3)=NN2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=NN1)[C@@H]1C(=O)[NH+]=c2ccc(cc2=C1[*:1])[N+](=O)[O-]
COc1ccc([C@@H]2CC([C@@H]3C(=O)[NH+]=c4ccc([N+](=O)[O-])cc4=C3c3ccccc3)=NN2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)[C@@H]1CC(=NN1)[C@@H]1C(=O)[NH+]=c2ccc(cc2=C1c1ccccc1)[*:1]
C[C@@H](c1ncc(C(C)(C)C)o1)[S@@](=O)Cc1nc2ccccc2s1 CC(C)(C)[*:1] C[C@@H](c1ncc(o1)[*:1])[S@@](=O)Cc1nc2ccccc2s1
CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3c(-c4ccc(C)cc4)c(C)nn32)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1c(C)nn2c1NC(=O)[C@H]2CC(=O)N[*:1]
CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3c(-c4ccc(C)cc4)c(C)nn32)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)C[C@@H]1C(=O)Nc2c(c(C)nn21)[*:1]
CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3c(-c4ccc(C)cc4)c(C)nn32)cc1 CCO[*:1] Cc1ccc(cc1)-c1c(C)nn2c1NC(=O)[C@H]2CC(=O)Nc1ccc(cc1)[*:1]
CC(C)C[C@H](Cn1nnnc1CC1CC1)C(=O)[O-] C1CC1C[*:1] CC(C)C[C@H](Cn1nnnc1[*:1])C(=O)[O-]
CC(C)C[C@H](Cn1nnnc1CC1CC1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](Cn1nnnc1CC1CC1)[*:1]
CC(C)C[C@H](Cn1nnnc1CC1CC1)C(=O)[O-] CC(C)C[*:1] O=C([O-])[C@@H](Cn1nnnc1CC1CC1)[*:1]
CC(C)C[C@H](Cn1nnnc1CC1CC1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H](Cn1nnnc1CC1CC1)C[*:1]
CC(C)C[C@H](Cn1nnnc1CC1CC1)C(=O)[O-] C1CC1[*:1] CC(C)C[C@H](Cn1nnnc1C[*:1])C(=O)[O-]
Cc1cc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4cccc(Cl)c4C)cc3C2=O)no1 Cc1cc(no1)[*:1] Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
Cc1cc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4cccc(Cl)c4C)cc3C2=O)no1 Cc1c(Cl)cccc1[*:1] Cc1cc(no1)N1C(=O)c2ccc(cc2C1=O)C(=O)OCC(=O)N[*:1]
COc1ccc(CNC(=O)C2CCN(c3nccc(C)n3)CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccnc(n1)N1CCC(CC1)C(=O)NC[*:1]
COc1ccc(CNC(=O)C2CCN(c3nccc(C)n3)CC2)cc1 Cc1ccnc(n1)[*:1] COc1ccc(cc1)CNC(=O)C1CCN(CC1)[*:1]
CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@@H](C)c2cccs2)c1=O c1csc(c1)[*:1] CNC(=O)c1cn(cc(C(=O)N[C@@H](C)[*:1])c1=O)C1CCCCC1
CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@@H](C)c2cccs2)c1=O C[C@@H](c1cccs1)[*:1] CNC(=O)c1cn(cc(C(=O)N[*:1])c1=O)C1CCCCC1
CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@@H](C)c2cccs2)c1=O C1CCC(CC1)[*:1] CNC(=O)c1cn(cc(C(=O)N[C@@H](C)c2cccs2)c1=O)[*:1]
CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N[C@@H](C)c2cccs2)c1=O CNC(=O)[*:1] C[C@H](NC(=O)c1cn(cc(c1=O)[*:1])C1CCCCC1)c1cccs1
Cc1ccc(NC(=O)N(C)CCc2ccc(F)cc2)cc1S(C)(=O)=O Fc1ccc(cc1)C[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N(C)C[*:1]
Cc1ccc(NC(=O)N(C)CCc2ccc(F)cc2)cc1S(C)(=O)=O Fc1ccc(cc1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N(C)CC[*:1]
Cc1ccc(NC(=O)N(C)CCc2ccc(F)cc2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N(C)CCc1ccc(F)cc1
CC(=O)N(C)c1cccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 CC(=O)N(C)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)Nc1cccc(c1)[*:1])[NH+](C)C
CC(=O)N(C)c1cccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 Cc1ccc(cc1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)NC[C@@H]([NH+](C)C)[*:1]
CC(=O)NCc1ccc(C(=O)OCCc2cccnc2)s1 c1cncc(c1)[*:1] CC(=O)NCc1ccc(s1)C(=O)OCC[*:1]
CC(=O)NCc1ccc(C(=O)OCCc2cccnc2)s1 CC(=O)N[*:1] O=C(OCCc1cccnc1)c1ccc(C[*:1])s1
CC(=O)NCc1ccc(C(=O)OCCc2cccnc2)s1 CC(=O)NC[*:1] O=C(OCCc1cccnc1)c1ccc(s1)[*:1]
CC(=O)NCc1ccc(C(=O)OCCc2cccnc2)s1 c1cncc(c1)C[*:1] CC(=O)NCc1ccc(s1)C(=O)OC[*:1]
CC[C@@H](C)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)C(=O)OC CC[C@@H](C)[*:1] COC(=O)[C@H](N[C@@H](C)c1cc(F)cc(F)c1)[*:1]
CC[C@@H](C)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)C(=O)OC COC(=O)[*:1] CC[C@@H](C)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)[*:1]
CCCc1cc(NC(=O)NCCc2c(F)cccc2F)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)NCCc1c(F)cccc1F)[*:1]
CC(=O)N[C@@H]1N=C(C(=O)Nc2ccc3[nH]c(C)cc3c2)CS1 CC(=O)N[*:1] Cc1cc2cc(ccc2[nH]1)NC(=O)C1CS[C@@H](N=1)[*:1]
CCOc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)N(C)Cc1ccc(F)cc1
CCOc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1OCC Fc1ccc(cc1)C[*:1] CCOc1ccc(cc1OCC)C(=O)N(C)[*:1]
CCOc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1OCC Fc1ccc(cc1)[*:1] CCOc1ccc(cc1OCC)C(=O)N(C)C[*:1]
CCOc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)N(C)Cc1ccc(F)cc1
Cc1ccccc1-c1nc(C(=O)O[C@H](C)c2nccs2)cs1 c1csc(n1)[*:1] Cc1ccccc1-c1nc(cs1)C(=O)O[C@H](C)[*:1]
Cc1ccccc1-c1nc(C(=O)O[C@H](C)c2nccs2)cs1 Cc1ccccc1[*:1] C[C@@H](OC(=O)c1csc(n1)[*:1])c1nccs1
Cc1cc(C)c(NC(=O)CSc2nncs2)c(Cl)c1 c1nnc(S[*:1])s1 Cc1cc(C)c(NC(=O)C[*:1])c(Cl)c1
Cc1cc(C)c(NC(=O)CSc2nncs2)c(Cl)c1 c1nnc(s1)[*:1] Cc1cc(C)c(NC(=O)CS[*:1])c(Cl)c1
CCc1nnc(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)s1 Cc1ccc(cc1)[*:1] CCc1nnc(NC(=O)c2ccc(cc2)O[*:1])s1
CCc1nnc(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)s1 CCc1nnc(s1)[*:1] Cc1ccc(cc1)Oc1ccc(cc1)C(=O)N[*:1]
CCc1nnc(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)s1 Cc1ccc(cc1)O[*:1] CCc1nnc(NC(=O)c2ccc(cc2)[*:1])s1
Cc1cc(NC(=O)C(=O)NCc2cccnc2Oc2cccc(F)c2)no1 Cc1cc(no1)[*:1] O=C(NCc1cccnc1Oc1cccc(F)c1)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)NCc2cccnc2Oc2cccc(F)c2)no1 Fc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)C(=O)NCc1cccnc1O[*:1]
Cc1cc(NC(=O)C(=O)NCc2cccnc2Oc2cccc(F)c2)no1 Fc1cccc(c1)O[*:1] Cc1cc(no1)NC(=O)C(=O)NCc1cccnc1[*:1]
C[C@@H](c1ccncc1)[C@@H](O)c1cc(Cl)ccc1Cl c1cc(ccn1)[*:1] C[C@@H]([C@@H](O)c1cc(Cl)ccc1Cl)[*:1]
CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C)O[C@@H](C)C3)c2c1C CCOC(=O)[*:1] Cc1c(sc2nc(C[NH+]3CCCCC3)nc(c12)N1C[C@H](C)O[C@@H](C)C1)[*:1]
CCn1c([C@H](C)NC(=O)C/C=C/c2ccc(F)cc2)nc2ccccc21 Fc1ccc(cc1)[*:1] CCn1c(nc2ccccc21)[C@H](C)NC(=O)CC=C[*:1]
CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[*:1]
CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NC[*:1]
Cc1ccccc1SCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] Cc1ccccc1SCC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1ccccc1SCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 Cc1ccccc1[*:1] C[C@H](NC(=O)CS[*:1])c1ccc(cc1)-n1cncn1
Cc1ccccc1SCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 Cc1ccccc1S[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-n1cncn1
CCCn1c(C2CCC(C[NH3+])CC2)nc2c(F)cccc21 CCC[*:1] [NH3+]CC1CCC(CC1)c1nc2c(F)cccc2n1[*:1]
Clc1cccc(-c2noc(Cn3nnc(-c4cccc(Cl)c4)n3)n2)c1 Clc1cccc(c1)[*:1] Clc1cccc(c1)-c1noc(Cn2nnc(n2)[*:1])n1
Clc1cccc(-c2noc(Cn3nnc(-c4cccc(Cl)c4)n3)n2)c1 Clc1cccc(c1)[*:1] Clc1cccc(c1)-c1nnn(Cc2nc(no2)[*:1])n1
N#CCOc1c(-c2ccc(Cl)cc2)oc2ccc(Cl)cc2c1=O Clc1ccc(cc1)[*:1] N#CCOc1c(oc2ccc(Cl)cc2c1=O)[*:1]
N#CCOc1c(-c2ccc(Cl)cc2)oc2ccc(Cl)cc2c1=O N#CCO[*:1] O=c1c(c(oc2ccc(Cl)cc12)-c1ccc(Cl)cc1)[*:1]
N#CCOc1c(-c2ccc(Cl)cc2)oc2ccc(Cl)cc2c1=O N#CC[*:1] O=c1c(O[*:1])c(oc2ccc(Cl)cc12)-c1ccc(Cl)cc1
CC[C@@H](NC(=O)C[C@H]1SC(N)=NC1=O)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)C[C@H]1SC(N)=NC1=O)[*:1]
CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1Cl CC(=O)[*:1] CC1Nc2nc3ccccc3n2[C@H](C=1[*:1])c1ccc(Cl)cc1Cl
CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1[*:1]
COc1ccc(Cl)cc1COC(=O)C1(c2ccccc2)CCN(C(C)=O)CC1 COc1ccc(Cl)cc1[*:1] CC(=O)N1CCC(CC1)(C(=O)OC[*:1])c1ccccc1
COc1ccc(Cl)cc1COC(=O)C1(c2ccccc2)CCN(C(C)=O)CC1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1COC(=O)C1(CCN(CC1)C(C)=O)[*:1]
O[C@H](COC1CCOCC1)Cn1nccc1-c1ccncc1 c1cc(ccn1)[*:1] O[C@H](COC1CCOCC1)Cn1nccc1[*:1]
O[C@H](COC1CCOCC1)Cn1nccc1-c1ccncc1 C1CC(CCO1)[*:1] O[C@H](CO[*:1])Cn1nccc1-c1ccncc1
O[C@H](COC1CCOCC1)Cn1nccc1-c1ccncc1 C1CC(CCO1)O[*:1] O[C@@H](Cn1nccc1-c1ccncc1)C[*:1]
CC(C)(C)c1ccc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)cc1 CC(C)(C)[*:1] O=C1CN(C(=O)/C=C/c2ccc(cc2)[*:1])c2ccccc2N1
Cc1ccc(-n2cc(C=O)c(-c3ccco3)n2)c(C)c1 c1coc(c1)[*:1] Cc1ccc(c(C)c1)-n1cc(C=O)c(n1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)[*:1]
CC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)S(=O)(=O)NC1CC1
CC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 O=S(=O)(NC1CC1)[*:1] CC(C)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CCCC[NH2+]C[C@H](C)Oc1ccc(Cl)cc1Cl CCCC[*:1] C[C@@H](C[NH2+][*:1])Oc1ccc(Cl)cc1Cl
CCCC[NH2+]C[C@H](C)Oc1ccc(Cl)cc1Cl CCC[*:1] C[C@@H](C[NH2+]C[*:1])Oc1ccc(Cl)cc1Cl
CCCc1cc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[*:1]
Cc1cc(C(=O)[O-])ccc1-c1ccc(C(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] Cc1cc(ccc1-c1ccc(cc1)[*:1])C(=O)[O-]
Cc1cc(C(=O)[O-])ccc1-c1ccc(C(=O)N2CCCCC2)cc1 O=C([O-])[*:1] Cc1cc(ccc1-c1ccc(cc1)C(=O)N1CCCCC1)[*:1]
CCOC(=O)C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(CC)c(=O)[nH]1 c1coc(c1)[*:1] CCOC(=O)C(=O)Nc1cc(nn1-c1nc(C)c(CC)c(=O)[nH]1)[*:1]
CCOC(=O)C(=O)Nc1cc(-c2ccco2)nn1-c1nc(C)c(CC)c(=O)[nH]1 CCOC(=O)C(=O)N[*:1] CCc1c(C)nc([nH]c1=O)-n1nc(cc1[*:1])-c1ccco1
O=C(CSc1nc2cc(Cl)ccc2s1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 Clc1ccc2sc(nc2c1)[*:1] O=C(CS[*:1])N1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1
COCCn1ccc(Nc2ncnc3ccc(Br)cc23)n1 COCC[*:1] Brc1ccc2ncnc(Nc3ccn(n3)[*:1])c2c1
COCCn1ccc(Nc2ncnc3ccc(Br)cc23)n1 COC[*:1] Brc1ccc2ncnc(Nc3ccn(C[*:1])n3)c2c1
Cc1cscc1-c1noc([C@@]2([NH3+])CCC[C@@H](C)C2)n1 Cc1cscc1[*:1] C[C@@H]1CCC[C@@]([NH3+])(C1)c1nc(no1)[*:1]
[NH3+][C@@]1(C(=O)[O-])CCC[C@@H](Oc2ccccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] [NH3+][C@]1(CCC[C@H](C1)Oc1ccccc1[*:1])C(=O)[O-]
N#CCCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 N#CCC[*:1] O=C(c1ccccc1[N+](=O)[O-])N1CCN(CC1)[*:1]
N#CCCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 N#CC[*:1] O=C(c1ccccc1[N+](=O)[O-])N1CCN(CC1)C[*:1]
N#CCCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] N#CCCN1CCN(CC1)C(=O)c1ccccc1[*:1]
Cc1cccc(O[C@H](C)C[NH2+]Cc2ccc([S@](C)=O)cc2)c1 C[S@](=O)[*:1] Cc1cccc(c1)O[C@H](C)C[NH2+]Cc1ccc(cc1)[*:1]
Cc1cccc(O[C@H](C)C[NH2+]Cc2ccc([S@](C)=O)cc2)c1 Cc1cccc(c1)[*:1] C[C@H](C[NH2+]Cc1ccc(cc1)[S@](C)=O)O[*:1]
COc1ccc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)CN1CCOC[C@H]1C[C@H](O)[*:1]
C#CCn1/c(=N/S(=O)(=O)c2ccc(OC)cc2)sc2cccc(F)c21 COc1ccc(cc1)[*:1] C#CCn1/c(=N/S(=O)(=O)[*:1])sc2cccc(F)c21
C#CCn1/c(=N/S(=O)(=O)c2ccc(OC)cc2)sc2cccc(F)c21 C#CC[*:1] COc1ccc(cc1)S(=O)(=O)/N=c1\sc2cccc(F)c2n1[*:1]
C[C@@H]([C@@H](C)N(C)C(=O)NCC1(C)Cc2ccccc2C1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)NCC1(C)Cc2ccccc2C1)[*:1]
C[C@H](C1CC1)N(C(=O)CSc1n[nH]c(=O)n1C)C1CC1 C[C@H](C1CC1)[*:1] Cn1c(n[nH]c1=O)SCC(=O)N(C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)CSc1n[nH]c(=O)n1C)C1CC1 C1CC1[*:1] C[C@H](N(C(=O)CSc1n[nH]c(=O)n1C)C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)CSc1n[nH]c(=O)n1C)C1CC1 C1CC1[*:1] C[C@H](C1CC1)N(C(=O)CSc1n[nH]c(=O)n1C)[*:1]
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(/C=C/C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cs1)[*:1]
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cs1 CC(=O)N(c1ccccc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)/C=C/c1csc(n1)[*:1]
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)Cc2c(C)nn(c2C)[*:1])cs1
C#CCN(Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 COC[*:1] C#CCN(Cc1csc(n1)[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] COCc1nc(cs1)CN([C@H]1CCS(=O)(=O)C1)[*:1]
CC(C)N(C)c1ccc(NCc2cc(Cl)cs2)cc1F Clc1csc(c1)[*:1] CC(C)N(C)c1ccc(cc1F)NC[*:1]
CC(C)N(C)c1ccc(NCc2cc(Cl)cs2)cc1F CC(C)[*:1] CN(c1ccc(cc1F)NCc1cc(Cl)cs1)[*:1]
CC(C)N(C)c1ccc(NCc2cc(Cl)cs2)cc1F CC(C)N(C)[*:1] Fc1cc(ccc1[*:1])NCc1cc(Cl)cs1
Clc1ccc(-c2nccc(-c3cc(-c4ccccc4)no3)n2)cc1 c1ccc(cc1)[*:1] Clc1ccc(cc1)-c1nccc(n1)-c1cc(no1)[*:1]
Clc1ccc(-c2nccc(-c3cc(-c4ccccc4)no3)n2)cc1 Clc1ccc(cc1)[*:1] c1ccc(cc1)-c1cc(on1)-c1ccnc(n1)[*:1]
Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(Br)c3)c12 c1coc(c1)[*:1] Cc1noc2nc(cc(C(=O)Nc3cccc(Br)c3)c12)[*:1]
Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(Br)c3)c12 Brc1cccc(c1)[*:1] Cc1noc2nc(cc(C(=O)N[*:1])c12)-c1ccco1
CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[C@H](C)C3)cc1 CCO[*:1] CNC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc2C[C@@H](C)CCc21
CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[C@H](C)C3)cc1 CNC(=O)[*:1] CCOc1ccc(cc1)C(=O)Nc1sc2C[C@@H](C)CCc2c1[*:1]
CCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)c1ccc(cc1)NC(=O)C(C)C)[*:1]
CCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1C CC(C)[*:1] CCN(C(=O)c1ccc(cc1)NC(=O)[*:1])c1ccccc1C
CCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1C CC(C)C(=O)N[*:1] CCN(C(=O)c1ccc(cc1)[*:1])c1ccccc1C
Cc1ccc(Cc2nc3nc4c(c(N5CCN(c6cccc[nH+]6)CC5)n3n2)CCCC4)cc1 Cc1ccc(cc1)C[*:1] c1ccc([nH+]c1)N1CCN(CC1)c1c2CCCCc2nc2nc(nn12)[*:1]
Cc1ccc(Cc2nc3nc4c(c(N5CCN(c6cccc[nH+]6)CC5)n3n2)CCCC4)cc1 Cc1ccc(cc1)[*:1] c1ccc([nH+]c1)N1CCN(CC1)c1c2CCCCc2nc2nc(C[*:1])nn12
C=Cc1ccc(CN2C=N[C@@H]3C(=O)NC(N(C)Cc4ccccc4)=NC(=O)[C@@H]32)cc1 C=Cc1ccc(cc1)C[*:1] CN(Cc1ccccc1)C1=NC(=O)[C@H]2[C@H](N=CN2[*:1])C(=O)N1
C=Cc1ccc(CN2C=N[C@@H]3C(=O)NC(N(C)Cc4ccccc4)=NC(=O)[C@@H]32)cc1 c1ccc(cc1)C[*:1] C=Cc1ccc(cc1)CN1C=N[C@@H]2C(=O)NC(=NC(=O)[C@@H]21)N(C)[*:1]
C=Cc1ccc(CN2C=N[C@@H]3C(=O)NC(N(C)Cc4ccccc4)=NC(=O)[C@@H]32)cc1 C=Cc1ccc(cc1)[*:1] CN(Cc1ccccc1)C1=NC(=O)[C@H]2[C@H](N=CN2C[*:1])C(=O)N1
C=Cc1ccc(CN2C=N[C@@H]3C(=O)NC(N(C)Cc4ccccc4)=NC(=O)[C@@H]32)cc1 c1ccc(cc1)[*:1] C=Cc1ccc(cc1)CN1C=N[C@@H]2C(=O)NC(=NC(=O)[C@@H]21)N(C)C[*:1]
C[C@H]1CC(=O)c2c(OCc3ccc(C(N)=O)cc3)ccc(F)c21 NC(=O)[*:1] C[C@H]1CC(=O)c2c(ccc(F)c21)OCc1ccc(cc1)[*:1]
Cc1ncccc1NC(=O)NC[C@](C)(O)c1ccccc1 Cc1ncccc1[*:1] C[C@](O)(CNC(=O)N[*:1])c1ccccc1
Cc1ncccc1NC(=O)NC[C@](C)(O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ncccc1NC(=O)NC[C@](C)(O)[*:1]
Cc1nc(NC2CC[NH+](CC(=O)NC3CC3)CC2)c(C)c(C)[nH+]1 O=C(C[*:1])NC1CC1 Cc1nc(NC2CC[NH+](CC2)[*:1])c(C)c(C)[nH+]1
Cc1nc(NC2CC[NH+](CC(=O)NC3CC3)CC2)c(C)c(C)[nH+]1 C1CC1[*:1] Cc1nc(NC2CC[NH+](CC2)CC(=O)N[*:1])c(C)c(C)[nH+]1
Cc1nc(NC2CC[NH+](CC(=O)NC3CC3)CC2)c(C)c(C)[nH+]1 O=C(NC1CC1)[*:1] Cc1nc(NC2CC[NH+](CC2)C[*:1])c(C)c(C)[nH+]1
C[C@H](Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](Nc1ccc(F)cc1)c1ccc(cc1)[*:1]
COC(=O)[C@@H]1C[C@H](O)CN1c1[nH+]cc(C(F)(F)F)cc1Cl COC(=O)[*:1] O[C@H]1C[C@H](N(C1)c1[nH+]cc(cc1Cl)C(F)(F)F)[*:1]
COC(=O)[C@@H]1C[C@H](O)CN1c1[nH+]cc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] COC(=O)[C@@H]1C[C@H](O)CN1c1[nH+]cc(cc1Cl)[*:1]
Cc1cc(C)c2c(C(=O)N3CCc4nnc(CNC(=O)c5cccc(F)c5)n4CC3)cc(C)nc2c1 O=C(N[*:1])c1cccc(F)c1 Cc1cc(C)c2c(cc(C)nc2c1)C(=O)N1CCc2nnc(C[*:1])n2CC1
Cc1cc(C)c2c(C(=O)N3CCc4nnc(CNC(=O)c5cccc(F)c5)n4CC3)cc(C)nc2c1 Fc1cccc(c1)[*:1] Cc1cc(C)c2c(cc(C)nc2c1)C(=O)N1CCc2nnc(CNC(=O)[*:1])n2CC1
Cc1cc(C)c2c(C(=O)N3CCc4nnc(CNC(=O)c5cccc(F)c5)n4CC3)cc(C)nc2c1 O=C(NC[*:1])c1cccc(F)c1 Cc1cc(C)c2c(cc(C)nc2c1)C(=O)N1CCc2nnc(n2CC1)[*:1]
Cc1ncc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ncc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)n1[*:1]
O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(COc1ccccc1)N[C@H](Cc1ccccc1)[*:1]
O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)[*:1] O=C(COc1ccccc1)N[C@H](C[*:1])C(=O)N1CCCC1
O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)O[*:1] O=C(C[*:1])N[C@H](Cc1ccccc1)C(=O)N1CCCC1
O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)OC[*:1] O=C([C@@H](Cc1ccccc1)NC(=O)[*:1])N1CCCC1
O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)C[*:1] O=C(COc1ccccc1)N[C@H](C(=O)N1CCCC1)[*:1]
O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)[*:1] O=C(CO[*:1])N[C@H](Cc1ccccc1)C(=O)N1CCCC1
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2)C[C@@H](C)O1 Clc1ccc(s1)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N(C)C[*:1]
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2)C[C@@H](C)O1 Clc1ccc(C[*:1])s1 C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N(C)[*:1]
CCC(CC)C(=O)Nc1cccc(SC(F)F)c1 FC(F)[*:1] CCC(CC)C(=O)Nc1cccc(c1)S[*:1]
CCC(CC)C(=O)Nc1cccc(SC(F)F)c1 FC(F)S[*:1] CCC(CC)C(=O)Nc1cccc(c1)[*:1]
CCC(CC)C(=O)Nc1cccc(SC(F)F)c1 CCC(CC)[*:1] O=C(Nc1cccc(c1)SC(F)F)[*:1]
COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2C)n(C)c1=O Cc1ccc(c(C)c1)[*:1] COC(=O)Cn1c(=O)c2c(nc3N(CCCn32)[*:1])n(C)c1=O
COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2C)n(C)c1=O COC(=O)[*:1] Cc1ccc(c(C)c1)N1CCCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2C)n(C)c1=O COC(=O)C[*:1] Cc1ccc(c(C)c1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
C[C@@H](C(=O)N(C)[C@H](C)c1ccncc1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](c1ccncc1)N(C)C(=O)[C@H](C)[*:1]
C[C@@H](C(=O)N(C)[C@H](C)c1ccncc1)c1ccsc1 c1cc(ccn1)[*:1] C[C@@H](C(=O)N(C)[C@H](C)[*:1])c1ccsc1
CCc1ncc(C(=O)Nc2cccc(C(C)=O)c2)c(C)n1 CC(=O)[*:1] CCc1ncc(C(=O)Nc2cccc(c2)[*:1])c(C)n1
CCCc1ccc([C@H](NC(=O)CNC(=O)NC)c2cccs2)cc1 CCC[*:1] CNC(=O)NCC(=O)N[C@@H](c1ccc(cc1)[*:1])c1cccs1
CCCc1ccc([C@H](NC(=O)CNC(=O)NC)c2cccs2)cc1 CNC(=O)NC[*:1] CCCc1ccc(cc1)[C@H](NC(=O)[*:1])c1cccs1
CCCc1ccc([C@H](NC(=O)CNC(=O)NC)c2cccs2)cc1 CNC(=O)N[*:1] CCCc1ccc(cc1)[C@H](NC(=O)C[*:1])c1cccs1
CCCc1ccc([C@H](NC(=O)CNC(=O)NC)c2cccs2)cc1 c1csc(c1)[*:1] CCCc1ccc(cc1)[C@H](NC(=O)CNC(=O)NC)[*:1]
CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H]1CCc2ccccc2C1 c1cc(ccn1)[*:1] CN(Cc1nc(no1)[*:1])C(=O)[C@@H]1CCc2ccccc2C1
NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 NC(=O)[*:1] O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCC(CC1)[*:1]
CCc1nc([C@H]2CCCN2C(=O)c2ccc(=O)n(CCOC)n2)no1 COCC[*:1] CCc1nc(no1)[C@H]1CCCN1C(=O)c1ccc(=O)n(n1)[*:1]
CCc1nc([C@H]2CCCN2C(=O)c2ccc(=O)n(CCOC)n2)no1 COC[*:1] CCc1nc(no1)[C@H]1CCCN1C(=O)c1ccc(=O)n(C[*:1])n1
CCc1nc([C@H]2CCCN2C(=O)c2ccc(=O)n(CCOC)n2)no1 CCc1nc(no1)[*:1] COCCn1nc(ccc1=O)C(=O)N1CCC[C@@H]1[*:1]
CC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2csc(Nc3ccccc3Cl)n2)CC1 Clc1ccccc1[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H]1CCCN1C(=O)c1csc(n1)N[*:1]
CC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2csc(Nc3ccccc3Cl)n2)CC1 Clc1ccccc1N[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H]1CCCN1C(=O)c1csc(n1)[*:1]
CCc1ccc(C(=O)/C=C/c2cnc(N3CC[NH+](C)CC3)nc2)o1 CCc1ccc(o1)[*:1] C[NH+]1CCN(CC1)c1ncc(/C=C/C(=O)[*:1])cn1
COCc1nc(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)cs1 COC[*:1] Cc1ccc(cc1NC(=O)c1csc(n1)[*:1])C(=O)N(C)C
COCc1nc(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)cs1 CN(C)C(=O)[*:1] COCc1nc(cs1)C(=O)Nc1cc(ccc1C)[*:1]
COC(=O)[C@@H]1C[C@H]2C(=O)CCC[C@H]2N1 COC(=O)[*:1] O=C1CCC[C@H]2N[C@@H](C[C@@H]12)[*:1]
CC(C)[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccccn1 Fc1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)Cc1csc(n1)[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)Cc1csc(n1)-c1cccc(F)c1)[*:1]
CC(C)[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccccn1 CC(C)[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)N[C@@H](c1ccccn1)[*:1]
O=C(Nc1ccccc1-n1cccn1)N1C[C@@H]2CCCC[C@H]2C1 c1cnn(c1)[*:1] O=C(Nc1ccccc1[*:1])N1C[C@@H]2CCCC[C@H]2C1
C#CCN(CC#C)C(=O)c1cccc(OCc2csc(C)n2)c1 C#CC[*:1] C#CCN(C(=O)c1cccc(c1)OCc1csc(C)n1)[*:1]
C#CCN(CC#C)C(=O)c1cccc(OCc2csc(C)n2)c1 Cc1nc(cs1)[*:1] C#CCN(CC#C)C(=O)c1cccc(c1)OC[*:1]
C#CCN(CC#C)C(=O)c1cccc(OCc2csc(C)n2)c1 Cc1nc(cs1)C[*:1] C#CCN(CC#C)C(=O)c1cccc(c1)O[*:1]
CC[C@@H]1CCC[C@@H](Oc2ccc(F)cc2[C@@H](C)O)C1 C[C@@H](O)[*:1] CC[C@@H]1CCC[C@H](C1)Oc1ccc(F)cc1[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)Cc2cccs2)C1 c1csc(c1)C[*:1] CCOC[C@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)Cc2cccs2)C1 c1csc(c1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)N[C@@H](C)C[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)Cc2cccs2)C1 CCO[*:1] C[C@@H](Cc1cccs1)NC(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)Cc2cccs2)C1 CCOC[*:1] C[C@@H](Cc1cccs1)NC(=O)N1CCC[C@@H](C1)[*:1]
COCC(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccc(F)cc2)C1=O COCC(=O)N[*:1] Cc1ccc(c(c1)[*:1])N1CCCN(Cc2ccc(F)cc2)C1=O
COCC(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] COCC(=O)Nc1cc(C)ccc1N1CCCN(C[*:1])C1=O
COCC(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)C[*:1] COCC(=O)Nc1cc(C)ccc1N1CCCN(C1=O)[*:1]
COCC(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccc(F)cc2)C1=O COC[*:1] Cc1ccc(c(c1)NC(=O)[*:1])N1CCCN(Cc2ccc(F)cc2)C1=O
CCc1ccc(CN2CCN(C(=O)c3ccccc3O)CC2)o1 CCc1ccc(o1)[*:1] O=C(c1ccccc1O)N1CCN(CC1)C[*:1]
CCc1ccc(CN2CCN(C(=O)c3ccccc3O)CC2)o1 Oc1ccccc1[*:1] CCc1ccc(CN2CCN(CC2)C(=O)[*:1])o1
Clc1ccccc1C1(C[NH2+]C2Cc3ccccc3C2)CCOCC1 Clc1ccccc1[*:1] c1ccc2CC(Cc2c1)[NH2+]CC1(CCOCC1)[*:1]
CC(=O)Nc1cc(NC(=O)N(C)CC(C)(C)O)c(F)cc1F CC(C)(O)[*:1] CC(=O)Nc1cc(NC(=O)N(C)C[*:1])c(F)cc1F
CC(=O)Nc1cc(NC(=O)N(C)CC(C)(C)O)c(F)cc1F CC(=O)N[*:1] CN(CC(C)(C)O)C(=O)Nc1cc(c(F)cc1F)[*:1]
CC(=O)Nc1cc(NC(=O)N(C)CC(C)(C)O)c(F)cc1F CC(C)(O)C[*:1] CC(=O)Nc1cc(NC(=O)N(C)[*:1])c(F)cc1F
CCC[NH2+][C@H](C)C(C)(C)CN(C)c1ccccc1F CCC[*:1] C[C@@H]([NH2+][*:1])C(C)(C)CN(C)c1ccccc1F
O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(C(F)(F)F)nc1[O-] c1cnn(c1)C[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(nc1[O-])C(F)(F)F
O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(C(F)(F)F)nc1[O-] c1cnn(c1)[*:1] O=C(Nc1cccc(c1)C[*:1])c1ccc(nc1[O-])C(F)(F)F
O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(C(F)(F)F)nc1[O-] FC(F)(F)[*:1] O=C(Nc1cccc(c1)Cn1cccn1)c1ccc(nc1[O-])[*:1]
COc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccc(F)cc3)c2=O)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)-n1c(=O)c2sc3ccccc3c2n(c1=O)[*:1]
COc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccc(F)cc3)c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c2sc3ccccc3c2n(Cc2ccc(F)cc2)c(=O)n1[*:1]
COc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccc(F)cc3)c2=O)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-n1c(=O)c2sc3ccccc3c2n(C[*:1])c1=O
CCS[C@@H]1CCCCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C1 CCS[*:1] NC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)N1CCCC[C@H](C1)[*:1]
CCS[C@@H]1CCCCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C1 c1ccc(cc1)[*:1] CCS[C@@H]1CCCCN(C1)C(=O)C1C[C@H](C(N)=O)N(N=1)[*:1]
CCS[C@@H]1CCCCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C1 NC(=O)[*:1] CCS[C@@H]1CCCCN(C1)C(=O)C1C[C@H](N(N=1)c1ccccc1)[*:1]
O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(nn(-c3ccccc3)c1O)N2 c1cc2OCOc2cc1[*:1] O=C1CCCC2Nc3nn(-c4ccccc4)c(O)c3[C@H](C=21)[*:1]
O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(nn(-c3ccccc3)c1O)N2 c1ccc(cc1)[*:1] O=C1CCCC2Nc3nn(c(O)c3[C@@H](C=21)c1ccc2OCOc2c1)[*:1]
COc1cccc(CC(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)c1 COc1cccc(c1)C[*:1] O=C(Nc1nnc(o1)-c1ccc2OCCOc2c1)[*:1]
COc1cccc(CC(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])Nc1nnc(o1)-c1ccc2OCCOc2c1
C[C@@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] C[C@@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)[*:1]
CCCCN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(c1cc(F)cc(F)c1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCCN(C(=O)c1cc(F)cc(F)c1)[*:1]
CCCCN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(c1cc(F)cc(F)c1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@@H]1CCC(=O)N1 O=C1CC[C@H](N1)[*:1] CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[*:1]
CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@@H]1CCC(=O)N1 C1CCC(CC1)[*:1] CC[C@](C)(C(=O)N[*:1])N(C)C(=O)[C@@H]1CCC(=O)N1
Cn1ncnc1CCNC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 Cn1ncnc1CC[*:1] O=C(N[C@@H]1CCC[C@H]1c1ccc(F)cc1)N[*:1]
Cn1ncnc1CCNC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 Cn1ncnc1[*:1] O=C(NCC[*:1])N[C@@H]1CCC[C@H]1c1ccc(F)cc1
Cn1ncnc1CCNC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ncnc1CCNC(=O)N[C@@H]1CCC[C@@H]1[*:1]
Cn1ncnc1CCNC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 Cn1ncnc1C[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@H]1c1ccc(F)cc1
COc1cc2c(cc1OC)CN(C(=O)COc1ccc(-c3ccc(C#N)cc3)cc1)CC2 N#Cc1ccc(cc1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)COc1ccc(cc1)[*:1]
O=C([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)c(F)c1 O=C([O-])[*:1] O=S(=O)(NCC[NH+]1CCCC1)c1ccc(cc1F)[*:1]
O=C(CC1CCC1)NCc1ccccc1NS(=O)(=O)c1ccccc1 C1CC(C1)C[*:1] O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)[*:1]
O=C(CC1CCC1)NCc1ccccc1NS(=O)(=O)c1ccccc1 O=C(CC1CCC1)N[*:1] O=S(=O)(Nc1ccccc1C[*:1])c1ccccc1
O=C(CC1CCC1)NCc1ccccc1NS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CC1CCC1)NCc1ccccc1NS(=O)(=O)[*:1]
O=C(CC1CCC1)NCc1ccccc1NS(=O)(=O)c1ccccc1 C1CC(C1)[*:1] O=C(C[*:1])NCc1ccccc1NS(=O)(=O)c1ccccc1
O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CC[C@@H]2CCCC[C@@H]2C1 c1ccc(cc1)[*:1] O=C(c1nn(c(=O)c2ccccc12)[*:1])N1CC[C@@H]2CCCC[C@@H]2C1
Cc1ccc(NC(=O)C(C)C)cc1NCC(=O)N1C[C@@H](C)O[C@H](C)C1 CC(C)C(=O)N[*:1] Cc1ccc(cc1NCC(=O)N1C[C@@H](C)O[C@H](C)C1)[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NCC(=O)N1C[C@@H](C)O[C@H](C)C1 CC(C)[*:1] Cc1ccc(cc1NCC(=O)N1C[C@@H](C)O[C@H](C)C1)NC(=O)[*:1]
COc1cc(CNS(=O)(=O)c2ccc(Br)s2)cc(OC)c1OC Brc1ccc(s1)[*:1] COc1cc(cc(OC)c1OC)CNS(=O)(=O)[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 c1coc(c1)[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 c1coc(c1)C[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 CN(c1ccccc1)S(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1
COc1cc(C[NH+]2CCC(n3cccn3)CC2)ccc1OCc1ccncc1 c1cc(ccn1)[*:1] COc1cc(ccc1OC[*:1])C[NH+]1CCC(CC1)n1cccn1
COc1cc(C[NH+]2CCC(n3cccn3)CC2)ccc1OCc1ccncc1 c1cc(ccn1)CO[*:1] COc1cc(ccc1[*:1])C[NH+]1CCC(CC1)n1cccn1
COc1cc(C[NH+]2CCC(n3cccn3)CC2)ccc1OCc1ccncc1 c1cnn(c1)[*:1] COc1cc(ccc1OCc1ccncc1)C[NH+]1CCC(CC1)[*:1]
COc1cc(C[NH+]2CCC(n3cccn3)CC2)ccc1OCc1ccncc1 c1cc(ccn1)C[*:1] COc1cc(ccc1O[*:1])C[NH+]1CCC(CC1)n1cccn1
CCn1ncnc1[C@H](C)NC(=O)c1cn(CC)c2nc(C)ccc2c1=O CCn1ncnc1[*:1] CCn1cc(C(=O)N[C@@H](C)[*:1])c(=O)c2ccc(C)nc21
CCOCC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] CCOCC(=O)N1CCO[C@@H](C1)c1cccc(c1)[*:1]
CCOCC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 CCOC[*:1] O=C(N1CCO[C@@H](C1)c1cccc(c1)OC(F)F)[*:1]
CCOCC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 FC(F)[*:1] CCOCC(=O)N1CCO[C@@H](C1)c1cccc(c1)O[*:1]
CCOCC(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 CCO[*:1] O=C(C[*:1])N1CCO[C@@H](C1)c1cccc(c1)OC(F)F
CC(C)c1c(N)nnn1-c1cc(F)cc(F)c1F CC(C)[*:1] Nc1nnn(-c2cc(F)cc(F)c2F)c1[*:1]
O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1O Oc1ccccc1[*:1] O=C(Cc1ccc(cc1)C(F)(F)F)N[*:1]
O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1O FC(F)(F)[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccccc1O
Clc1ccc(-c2nnc3n2N=C(c2ccco2)CS3)cc1 c1coc(c1)[*:1] Clc1ccc(cc1)-c1nnc2SCC(=Nn21)[*:1]
Clc1ccc(-c2nnc3n2N=C(c2ccco2)CS3)cc1 Clc1ccc(cc1)[*:1] c1coc(c1)C1CSc2nnc(n2N=1)[*:1]
O=C(N[C@@H]1C=C[C@H](CO)C1)c1c[nH]nc1-c1ccccc1Cl Clc1ccccc1[*:1] O=C(N[C@@H]1C=C[C@H](CO)C1)c1c[nH]nc1[*:1]
C[C@H](O)C[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)COC2 C[C@H](O)[*:1] O=C(Nc1ccc2COCc2c1)N1CCC[C@H]1C[*:1]
C[C@H](O)C[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)COC2 C[C@H](O)C[*:1] O=C(Nc1ccc2COCc2c1)N1CCC[C@H]1[*:1]
Cc1ccc(O[C@@H](C)C(=O)NC(N)=O)c(C=O)n1 NC(=O)NC(=O)[*:1] Cc1ccc(O[C@@H](C)[*:1])c(C=O)n1
O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 C1CN(CCO1)CC[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 C1CN(CCO1)[*:1] O=C(NCC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 C1CN(CCO1)C[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
CCOCCNC(=O)N(C)Cc1cccs1 c1csc(c1)[*:1] CCOCCNC(=O)N(C)C[*:1]
CCOCCNC(=O)N(C)Cc1cccs1 CCOC[*:1] CN(Cc1cccs1)C(=O)NC[*:1]
CCOCCNC(=O)N(C)Cc1cccs1 CCO[*:1] CN(Cc1cccs1)C(=O)NCC[*:1]
CCOCCNC(=O)N(C)Cc1cccs1 CCOCC[*:1] CN(Cc1cccs1)C(=O)N[*:1]
CC(C)(Oc1ccc(Cl)cc1)/C([O-])=N/S(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(Oc1ccc(Cl)cc1)/C([O-])=N/S(=O)(=O)[*:1]
CC(C)(Oc1ccc(Cl)cc1)/C([O-])=N/S(=O)(=O)Cc1ccccc1 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])/C([O-])=N/S(=O)(=O)Cc1ccccc1
CC(C)(Oc1ccc(Cl)cc1)/C([O-])=N/S(=O)(=O)Cc1ccccc1 Clc1ccc(cc1)O[*:1] CC(C)(/C([O-])=N/S(=O)(=O)Cc1ccccc1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)/C([O-])=N/S(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)(Oc1ccc(Cl)cc1)/C([O-])=N/S(=O)(=O)C[*:1]
CN(C(=O)C1CC1)c1ccccc1C(=O)OC[C@@H]1CCCCO1 C1CC1[*:1] CN(C(=O)[*:1])c1ccccc1C(=O)OC[C@@H]1CCCCO1
CN(C(=O)C1CC1)c1ccccc1C(=O)OC[C@@H]1CCCCO1 CN(C(=O)C1CC1)[*:1] O=C(OC[C@@H]1CCCCO1)c1ccccc1[*:1]
CN(C(=O)C1CC1)c1ccccc1C(=O)OC[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] CN(C(=O)C1CC1)c1ccccc1C(=O)OC[*:1]
CN(C(=O)C1CC1)c1ccccc1C(=O)OC[C@@H]1CCCCO1 C1CC[C@@H](C[*:1])OC1 CN(C(=O)C1CC1)c1ccccc1C(=O)O[*:1]
O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(CC1)[*:1]
O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2ncccc2F)CC1 c1ccc(cc1)[*:1] O=C([C@H]1C[C@@H]1[*:1])N1CCN(CC1)c1ncccc1F
C[C@@H](Cc1ccco1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Cc1ccco1)[*:1]
CCC(C)(C)N(C)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O CCC(C)(C)[*:1] CN1C(=O)N(CC(=O)N(C)[*:1])C(=O)C12CCCCC2
c1cn2cc(-c3c[nH]nc3-c3ccsc3)ccc2n1 c1cc(cs1)[*:1] c1cn2cc(ccc2n1)-c1c[nH]nc1[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2C)c2ccc(C)cc21 Cc1ccccc1[*:1] CC(=O)C[C@]1(O)C(=O)N(CCCO[*:1])c2ccc(C)cc21
CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2C)c2ccc(C)cc21 CC(=O)C[*:1] Cc1ccc2c(c1)[C@](O)(C(=O)N2CCCOc1ccccc1C)[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2C)c2ccc(C)cc21 Cc1ccccc1OC[*:1] CC(=O)C[C@]1(O)C(=O)N(CC[*:1])c2ccc(C)cc21
CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2C)c2ccc(C)cc21 CC(=O)[*:1] Cc1ccc2c(c1)[C@](O)(C[*:1])C(=O)N2CCCOc1ccccc1C
CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2C)c2ccc(C)cc21 Cc1ccccc1O[*:1] CC(=O)C[C@]1(O)C(=O)N(CCC[*:1])c2ccc(C)cc21
Cc1cnc([C@H](NC(=O)NCCCn2cc[nH+]c2)C2CC2)s1 Cc1cnc(s1)[*:1] O=C(NCCCn1cc[nH+]c1)N[C@H](C1CC1)[*:1]
Cc1cnc([C@H](NC(=O)NCCCn2cc[nH+]c2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H](NC(=O)NCCCn1cc[nH+]c1)[*:1]
CC(C)(CC1CCOCC1)C(=O)N[C@@H](CO)c1ccco1 C1CC(CCO1)C[*:1] CC(C)(C(=O)N[C@@H](CO)c1ccco1)[*:1]
CC(C)(CC1CCOCC1)C(=O)N[C@@H](CO)c1ccco1 C1CC(CCO1)[*:1] CC(C)(C[*:1])C(=O)N[C@@H](CO)c1ccco1
CC(C)(CC1CCOCC1)C(=O)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] CC(C)(CC1CCOCC1)C(=O)N[C@@H](CO)[*:1]
Cc1ccc(C)c(-n2ncc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1c(cnn1[*:1])[C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O
O=C(CCc1cc(Cl)cs1)N1CC[C@@H](CSc2ccccc2)C1 Clc1csc(c1)[*:1] O=C(CC[*:1])N1CC[C@@H](CSc2ccccc2)C1
O=C(CCc1cc(Cl)cs1)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CCc1cc(Cl)cs1)N1CC[C@@H](CS[*:1])C1
O=C(CCc1cc(Cl)cs1)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)S[*:1] O=C(CCc1cc(Cl)cs1)N1CC[C@H](C1)C[*:1]
O=C(CCc1cc(Cl)cs1)N1CC[C@@H](CSc2ccccc2)C1 Clc1csc(c1)C[*:1] O=C(C[*:1])N1CC[C@@H](CSc2ccccc2)C1
CS(=O)(=O)[N-]c1ccc(OCC/[NH+]=C/c2ccccc2O)cc1 Oc1ccccc1[*:1] CS(=O)(=O)[N-]c1ccc(cc1)OCC[NH+]=C[*:1]
O=C(/C=C/c1ccco1)Nc1nnc(-c2ccsc2)o1 c1coc(c1)[*:1] O=C(C=C[*:1])Nc1nnc(o1)-c1ccsc1
O=C(/C=C/c1ccco1)Nc1nnc(-c2ccsc2)o1 c1cc(cs1)[*:1] O=C(/C=C/c1ccco1)Nc1nnc(o1)[*:1]
CCCCC(=O)Nc1ccc(NC(=O)c2cnccn2)cn1 c1cnc(cn1)[*:1] CCCCC(=O)Nc1ccc(cn1)NC(=O)[*:1]
CCCCC(=O)Nc1ccc(NC(=O)c2cnccn2)cn1 CCCCC(=O)N[*:1] O=C(Nc1ccc(nc1)[*:1])c1cnccn1
CCCCC(=O)Nc1ccc(NC(=O)c2cnccn2)cn1 CCCC[*:1] O=C(Nc1ccc(nc1)NC(=O)[*:1])c1cnccn1
CCCCC(=O)Nc1ccc(NC(=O)c2cnccn2)cn1 CCC[*:1] O=C(C[*:1])Nc1ccc(cn1)NC(=O)c1cnccn1
O=C(Nc1ncccc1OC(F)F)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] O=C(Nc1ncccc1OC(F)F)c1ccc([nH]c1=O)[*:1]
O=C(Nc1ncccc1OC(F)F)c1ccc(-c2ccccc2)[nH]c1=O FC(F)O[*:1] O=C(Nc1ncccc1[*:1])c1ccc([nH]c1=O)-c1ccccc1
O=C(Nc1ncccc1OC(F)F)c1ccc(-c2ccccc2)[nH]c1=O FC(F)[*:1] O=C(Nc1ncccc1O[*:1])c1ccc([nH]c1=O)-c1ccccc1
CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)c2ccccc2Cl)c1 CNC(=O)[*:1] C[C@H](NC(=O)C(=O)Nc1cc(ccc1Cl)[*:1])c1ccccc1Cl
CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)c2ccccc2Cl)c1 Clc1ccccc1[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)C(=O)N[C@@H](C)[*:1]
C[C@@H](CNc1ncnc2sccc12)CC1(C)OCCO1 CC1(OCCO1)[*:1] C[C@@H](CNc1ncnc2sccc12)C[*:1]
CCOC(OCC)[C@H]([NH3+])Cc1ccc(I)cc1 CCO[*:1] CCOC([C@H]([NH3+])Cc1ccc(I)cc1)[*:1]
CC[NH+](CC)CCNC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CC[NH+](CC)CCNC(=O)N[C@@H]1C[C@@H](C)N(C1)[*:1]
Clc1cnc(N2CCN(Cc3cscn3)CC2)c(Cl)c1 c1nc(cs1)C[*:1] Clc1cnc(c(Cl)c1)N1CCN(CC1)[*:1]
Clc1cnc(N2CCN(Cc3cscn3)CC2)c(Cl)c1 c1nc(cs1)[*:1] Clc1cnc(c(Cl)c1)N1CCN(CC1)C[*:1]
COc1cccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccccc4C)[C@H]32)c1OC Cc1ccccc1[*:1] COc1cccc(c1OC)[C@@H]1Oc2ccccc2C2=Nc3ncnn3[C@@H]([C@H]21)[*:1]
COc1cccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccccc4C)[C@H]32)c1OC COc1cccc(c1OC)[*:1] Cc1ccccc1[C@H]1[C@@H]2C(=Nc3ncnn31)c1ccccc1O[C@H]2[*:1]
COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc4ccccc24)C(=O)N3)cc1 COc1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)Nc2nc(nn21)[*:1])Nc1cccc2ccccc12
COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc4ccccc24)C(=O)N3)cc1 c1ccc2c(cccc2c1)[*:1] COc1ccc(cc1)-c1nc2NC(=O)[C@@H](CC(=O)N[*:1])n2n1
C[NH2+]C1CC(c2ccc(CC(C)C)cc2)C1 CC(C)C[*:1] C[NH2+]C1CC(C1)c1ccc(cc1)[*:1]
C[NH2+]C1CC(c2ccc(CC(C)C)cc2)C1 CC(C)[*:1] C[NH2+]C1CC(C1)c1ccc(cc1)C[*:1]
O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cccc(-n2cnnc2)c1 c1cnn(c1)[*:1] O=C(N[C@H](C[*:1])c1ccccc1)c1cccc(c1)-n1cnnc1
O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cccc(-n2cnnc2)c1 c1ccc(cc1)[*:1] O=C(N[C@H](Cn1cccn1)[*:1])c1cccc(c1)-n1cnnc1
O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cccc(-n2cnnc2)c1 c1cnn(c1)C[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1cccc(c1)-n1cnnc1
O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cccc(-n2cnnc2)c1 c1nncn1[*:1] O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cccc(c1)[*:1]
COc1ccc([C@@H](O)CN[C@H](C)c2cncc(F)c2)cc1OC Fc1cncc(c1)[*:1] COc1ccc(cc1OC)[C@@H](O)CN[C@H](C)[*:1]
CCc1nc2ncc3c(n2n1)C[C@@H](c1ccccc1C)CC3=O Cc1ccccc1[*:1] CCc1nc2ncc3C(=O)C[C@H](Cc3n2n1)[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc3ccccc3c2Br)cc1 NS(=O)(=O)[*:1] O=C(COc1ccc2ccccc2c1Br)NCCc1ccc(cc1)[*:1]
CC(C)c1nsc(NC2CCC(C(=O)OC(C)(C)C)CC2)n1 CC(C)(C)[*:1] CC(C)c1nsc(n1)NC1CCC(CC1)C(=O)O[*:1]
CC(C)c1nsc(NC2CCC(C(=O)OC(C)(C)C)CC2)n1 CC(C)(C)OC(=O)[*:1] CC(C)c1nsc(n1)NC1CCC(CC1)[*:1]
CC(C)c1nsc(NC2CCC(C(=O)OC(C)(C)C)CC2)n1 CC(C)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)Nc1nc(ns1)[*:1]
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@](O)(C(C)=O)[C@@]4(C)CC[C@H]32)C1 CC(=O)O[*:1] CC(=O)[C@]1(O)CC[C@H]2[C@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@@H]3CC[C@@]21C)[*:1]
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@](O)(C(C)=O)[C@@]4(C)CC[C@H]32)C1 CC(=O)[*:1] CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@](O)([C@@]4(C)CC[C@H]32)[*:1])C1
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1ccco1 c1coc(c1)C[*:1] C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[*:1]
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1ccco1 Clc1ccc(cc1)[*:1] C[C@@H](C[*:1])N(C)C(=O)CCc1ccco1
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1ccco1 c1coc(c1)CC[*:1] C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[*:1]
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1ccco1 c1coc(c1)[*:1] C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CC[*:1]
O=C(NCCCN1CCCC1=O)c1cc2cc(Br)ccc2[nH]1 O=C1CCCN1C[*:1] O=C(NCC[*:1])c1cc2cc(Br)ccc2[nH]1
O=C(NCCCN1CCCC1=O)c1cc2cc(Br)ccc2[nH]1 O=C1CCCN1[*:1] O=C(NCCC[*:1])c1cc2cc(Br)ccc2[nH]1
COc1ccc(S(=O)(=O)N(C2CC2)[C@@H](C)C2CC2)cc1OC C1CC1[*:1] COc1ccc(cc1OC)S(=O)(=O)N([C@@H](C)C1CC1)[*:1]
COc1ccc(S(=O)(=O)N(C2CC2)[C@@H](C)C2CC2)cc1OC C1CC1[*:1] COc1ccc(cc1OC)S(=O)(=O)N(C1CC1)[C@@H](C)[*:1]
C=CCn1nns/c1=N/CC(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C=CCn1nns/c1=N/CC(=O)Nc1cccc(c1)[*:1]
C=CCn1nns/c1=N/CC(=O)Nc1cccc(C(F)(F)F)c1 C=CC[*:1] O=C(C/N=c1/snnn1[*:1])Nc1cccc(c1)C(F)(F)F
C[C@@H](SCc1noc(C(C)(C)C)n1)C(=O)Nc1cccc(Cl)c1 CC(C)(C)[*:1] C[C@@H](SCc1noc(n1)[*:1])C(=O)Nc1cccc(Cl)c1
C[C@@H](SCc1noc(C(C)(C)C)n1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](SCc1noc(n1)C(C)(C)C)C(=O)N[*:1]
CCCn1nnnc1NC/C=C/c1ccc(Cl)cc1 CCC[*:1] Clc1ccc(/C=C/CNc2nnnn2[*:1])cc1
COC(=O)c1cc(NCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)ccc1F COC(=O)[*:1] Cc1ccc(cc1C)[C@H](C)NC(=O)CNc1ccc(F)c(c1)[*:1]
COC(=O)c1cc(NCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)ccc1F Cc1ccc(cc1C)[*:1] COC(=O)c1cc(ccc1F)NCC(=O)N[C@@H](C)[*:1]
COC(=O)c1cc(C(=O)NN2Cc3ccccc3C2)n(-c2ccccc2)n1 COC(=O)[*:1] O=C(NN1Cc2ccccc2C1)c1cc(nn1-c1ccccc1)[*:1]
COC(=O)c1cc(C(=O)NN2Cc3ccccc3C2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] COC(=O)c1cc(C(=O)NN2Cc3ccccc3C2)n(n1)[*:1]
C=CCn1nnnc1S[C@H](C)C(=O)Nc1ccc(C)cc1Cl C=CC[*:1] Cc1ccc(NC(=O)[C@@H](C)Sc2nnnn2[*:1])c(Cl)c1
C[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2F)C[C@H]1O Fc1ccccc1[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1c[nH]nc1[*:1]
Cc1ccc(-n2nnnc2CNC(=O)C2CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)-n1nnnc1CNC(=O)[*:1]
Cc1ccc(-n2nnnc2CNC(=O)C2CC2)cc1C O=C(N[*:1])C1CC1 Cc1ccc(cc1C)-n1nnnc1C[*:1]
N#CCCCS(=O)(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 N#CCCC[*:1] O=S(=O)(N1CCO[C@H](C1)c1cccc(c1)C(F)(F)F)[*:1]
N#CCCCS(=O)(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 N#CC[*:1] O=S(=O)(CC[*:1])N1CCO[C@H](C1)c1cccc(c1)C(F)(F)F
N#CCCCS(=O)(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 N#CCC[*:1] O=S(=O)(C[*:1])N1CCO[C@H](C1)c1cccc(c1)C(F)(F)F
N#CCCCS(=O)(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] N#CCCCS(=O)(=O)N1CCO[C@H](C1)c1cccc(c1)[*:1]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(O)c2)[C@@H]2C(=O)C[C@H](c3cccs3)CC2=N1 C1CO[C@@H](C1)C[*:1] CC1N=C2C[C@H](CC(=O)[C@H]2[C@@H](C=1C(=O)O[*:1])c1cccc(O)c1)c1cccs1
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(O)c2)[C@@H]2C(=O)C[C@H](c3cccs3)CC2=N1 O=C(OC[C@@H]1CCCO1)[*:1] CC1N=C2C[C@H](CC(=O)[C@H]2[C@@H](C=1[*:1])c1cccc(O)c1)c1cccs1
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(O)c2)[C@@H]2C(=O)C[C@H](c3cccs3)CC2=N1 c1csc(c1)[*:1] CC1N=C2C[C@@H](CC(=O)[C@H]2[C@@H](C=1C(=O)OC[C@@H]1CCCO1)c1cccc(O)c1)[*:1]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(O)c2)[C@@H]2C(=O)C[C@H](c3cccs3)CC2=N1 C1CO[C@@H](C1)[*:1] CC1N=C2C[C@H](CC(=O)[C@H]2[C@@H](C=1C(=O)OC[*:1])c1cccc(O)c1)c1cccs1
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(O)c2)[C@@H]2C(=O)C[C@H](c3cccs3)CC2=N1 Oc1cccc(c1)[*:1] CC1N=C2C[C@H](CC(=O)[C@H]2[C@H](C=1C(=O)OC[C@@H]1CCCO1)[*:1])c1cccs1
COc1ccc(N(C[C@@H]2C=c3cc(OC)ccc3=[NH+]C2=O)C(=O)[C@@H]2CCCO2)cc1 COc1ccc(cc1)[*:1] COc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C(=O)[C@@H]1CCCO1)[*:1]
COc1ccc(N(C[C@@H]2C=c3cc(OC)ccc3=[NH+]C2=O)C(=O)[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1)N(C[C@@H]1C=c2cc(ccc2=[NH+]C1=O)OC)C(=O)[*:1]
NC(=O)c1ccc(N2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)N1CC[NH+](CC1)C[C@@H]1C[C@H]1[*:1]
NC(=O)c1ccc(N2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 NC(=O)[*:1] c1ccc(cc1)[C@H]1C[C@H]1C[NH+]1CCN(CC1)c1ccc(cc1)[*:1]
COc1ccc(-c2noc(CN(C(=O)c3ccccc3OC)C(C)C)n2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-c1noc(CN(C(=O)[*:1])C(C)C)n1
COc1ccc(-c2noc(CN(C(=O)c3ccccc3OC)C(C)C)n2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1C(=O)N(Cc1nc(no1)[*:1])C(C)C
COc1ccc(-c2noc(CN(C(=O)c3ccccc3OC)C(C)C)n2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1noc(CN(C(=O)c2ccccc2OC)[*:1])n1
Cc1c(NC(=O)N[C@@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)N[C@@H](CCCO)[*:1]
Cc1c(NC(=O)N[C@@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] OCCC[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1c(NC(=O)N[C@@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] OCC[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)N[C@@H](C[*:1])c1ccccc1
Cc1c(NC(=O)N[C@@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)N[C@@H](CCCO)c1ccccc1
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(C)c(F)c2)C1 CC[C@H](C)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(C)c(F)c2)C1 Cc1ccc(cc1F)[*:1] CC[C@H](C)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)[*:1]
O=C(Nc1ccccc1C(F)(F)F)C(=O)N1CCc2cc(F)ccc2C1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])C(=O)N1CCc2cc(F)ccc2C1
Cn1cc(N2CC[C@@H](Nc3ccc(CO)cc3)C2=O)cn1 Cn1cc(cn1)[*:1] O=C1[C@@H](CCN1[*:1])Nc1ccc(cc1)CO
Cc1nc(SCC(=O)c2ccc(F)c(F)c2)[nH]c(=O)c1Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] Cc1nc([nH]c(=O)c1[*:1])SCC(=O)c1ccc(F)c(F)c1
Cc1nc(SCC(=O)c2ccc(F)c(F)c2)[nH]c(=O)c1Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1O[*:1])SCC(=O)c1ccc(F)c(F)c1
Cc1nc(SCC(=O)c2ccc(F)c(F)c2)[nH]c(=O)c1Oc1ccc(F)cc1 Fc1ccc(cc1F)[*:1] Cc1nc([nH]c(=O)c1Oc1ccc(F)cc1)SCC(=O)[*:1]
NC(=O)[C@H]1CCCN(C(=O)c2cscn2)C1 c1nc(cs1)[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
NC(=O)[C@H]1CCCN(C(=O)c2cscn2)C1 NC(=O)[*:1] O=C(c1cscn1)N1CCC[C@@H](C1)[*:1]
CCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 Brc1ccccc1[*:1] CCCNC(=O)C1CC[NH+](CCC(=O)N[*:1])CC1
CCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 CCC[*:1] O=C(CC[NH+]1CCC(CC1)C(=O)N[*:1])Nc1ccccc1Br
CCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 CCCNC(=O)[*:1] O=C(CC[NH+]1CCC(CC1)[*:1])Nc1ccccc1Br
CCN(CC(C)(C)O)C(=O)[C@]1(CC)CCC[NH2+]C1 CC(C)(O)C[*:1] CCN(C(=O)[C@]1(CC)CCC[NH2+]C1)[*:1]
CCN(CC(C)(C)O)C(=O)[C@]1(CC)CCC[NH2+]C1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)[C@]1(CC)CCC[NH2+]C1
Cc1c([C@H]2CC[NH2+][C@@H]2CC(C)C)cnn1C CC(C)[*:1] Cc1c(cnn1C)[C@H]1CC[NH2+][C@@H]1C[*:1]
Cc1c([C@H]2CC[NH2+][C@@H]2CC(C)C)cnn1C CC(C)C[*:1] Cc1c(cnn1C)[C@H]1CC[NH2+][C@H]1[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)C1 c1coc(c1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)C1 c1ccc(cc1)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](NC(=O)c1ccco1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](C[*:1])NC(=O)c1ccco1
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)C1 O=C(N[*:1])c1ccco1 C[C@@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](Cc1ccccc1)[*:1]
C=CC[C@H]([NH3+])[C@@]1(C)CCCO1 C=CC[*:1] C[C@@]1(CCCO1)[C@@H]([NH3+])[*:1]
Nn1c(SCc2nc(-c3cccc(F)c3)no2)nnc1-c1cccnc1 c1cncc(c1)[*:1] Nn1c(nnc1[*:1])SCc1nc(no1)-c1cccc(F)c1
Nn1c(SCc2nc(-c3cccc(F)c3)no2)nnc1-c1cccnc1 Fc1cccc(c1)[*:1] Nn1c(nnc1-c1cccnc1)SCc1nc(no1)[*:1]
COc1ccccc1NC(=O)CSc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12 COc1ccccc1NC(=O)[*:1] O=c1c2ccccc2n2c(nnc2n1Cc1ccc(F)cc1)SC[*:1]
COc1ccccc1NC(=O)CSc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12 Fc1ccc(cc1)C[*:1] COc1ccccc1NC(=O)CSc1nnc2n(c(=O)c3ccccc3n12)[*:1]
COc1ccccc1NC(=O)CSc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12 COc1ccccc1[*:1] O=C(CSc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12)N[*:1]
COc1ccccc1NC(=O)CSc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12 Fc1ccc(cc1)[*:1] COc1ccccc1NC(=O)CSc1nnc2n(C[*:1])c(=O)c3ccccc3n12
N#Cc1c(N)nc2cc(-c3ccccc3)nn2c1-c1ccccc1 c1ccc(cc1)[*:1] N#Cc1c(N)nc2cc(nn2c1[*:1])-c1ccccc1
N#Cc1c(N)nc2cc(-c3ccccc3)nn2c1-c1ccccc1 c1ccc(cc1)[*:1] N#Cc1c(N)nc2cc(nn2c1-c1ccccc1)[*:1]
COc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1C[*:1])NC(=O)c1ccc(cc1)S(C)(=O)=O
COc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1Cc1ccccc1 CS(=O)(=O)[*:1] COc1ccc(cc1Cc1ccccc1)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1[*:1])NC(=O)c1ccc(cc1)S(C)(=O)=O
CCOCCCNC(=O)C1CCN(C(=O)c2cc(F)ccc2C)CC1 Cc1ccc(F)cc1[*:1] CCOCCCNC(=O)C1CCN(CC1)C(=O)[*:1]
CCOCCCNC(=O)C1CCN(C(=O)c2cc(F)ccc2C)CC1 CCOCCC[*:1] Cc1ccc(F)cc1C(=O)N1CCC(CC1)C(=O)N[*:1]
CCOCCCNC(=O)C1CCN(C(=O)c2cc(F)ccc2C)CC1 CCOCC[*:1] Cc1ccc(F)cc1C(=O)N1CCC(CC1)C(=O)NC[*:1]
CCOCCCNC(=O)C1CCN(C(=O)c2cc(F)ccc2C)CC1 CCO[*:1] Cc1ccc(F)cc1C(=O)N1CCC(CC1)C(=O)NCCC[*:1]
CCOCCCNC(=O)C1CCN(C(=O)c2cc(F)ccc2C)CC1 CCOC[*:1] Cc1ccc(F)cc1C(=O)N1CCC(CC1)C(=O)NCC[*:1]
C=CCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 C=CCO[*:1] CCC[C@@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(cc1)[*:1]
C=CCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 CCC[*:1] C=CCOc1ccc(cc1)[C@H]1SCC(O)=Nc2c1c(=O)[nH]n2[C@H](C)[*:1]
C=CCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 C=CC[*:1] CCC[C@@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(cc1)O[*:1]
C=CCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 CCC[C@@H](C)[*:1] C=CCOc1ccc(cc1)[C@H]1SCC(O)=Nc2c1c(=O)[nH]n2[*:1]
Cc1cc(CNc2ccc(C(=O)[O-])c(F)c2F)sc1C O=C([O-])[*:1] Cc1cc(CNc2ccc(c(F)c2F)[*:1])sc1C
CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)nc1 CNC(=O)[*:1] O=C(c1ccc(Br)nc1)N1CCCC[C@H]1[*:1]
O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1cccc(NC(=O)C(F)(F)F)c1 O=C(N[*:1])C(F)(F)F O=C1OC(=N/C1=C\c1cccc(c1)[*:1])c1ccc2OCOc2c1
O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1cccc(NC(=O)C(F)(F)F)c1 c1cc2OCOc2cc1[*:1] O=C1OC(=N/C1=C\c1cccc(c1)NC(=O)C(F)(F)F)[*:1]
O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1cccc(NC(=O)C(F)(F)F)c1 FC(F)(F)[*:1] O=C1OC(=N/C1=C\c1cccc(c1)NC(=O)[*:1])c1ccc2OCOc2c1
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 c1coc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)NC[C@H]([NH+]1CCCC1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 O=[N+]([O-])[*:1] O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)[C@@]2(Cc3ccccc3)C=CCCC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)([C@]1(C=CCCC1)Cc1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)[C@@]2(Cc3ccccc3)C=CCCC2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)[C@]1(C=CCCC1)[*:1]
Cc1ccc(S(=O)(=O)[C@@]2(Cc3ccccc3)C=CCCC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)[C@]1(C=CCCC1)C[*:1]
c1cc([C@@H]2C[C@H]2C[NH2+]C2CC2)ccc1C1CC1 C1CC1[*:1] c1cc(ccc1C1CC1)[C@@H]1C[C@H]1C[NH2+][*:1]
c1cc([C@@H]2C[C@H]2C[NH2+]C2CC2)ccc1C1CC1 C1CC1[*:1] c1cc(ccc1[C@@H]1C[C@H]1C[NH2+]C1CC1)[*:1]
COc1cccc(NC(=O)[C@@H](OC(=O)c2cn3ccccc3n2)c2ccccc2)c1 c1ccn2cc(nc2c1)[*:1] COc1cccc(c1)NC(=O)[C@@H](OC(=O)[*:1])c1ccccc1
COc1cccc(NC(=O)[C@@H](OC(=O)c2cn3ccccc3n2)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H](OC(=O)c1cn2ccccc2n1)[*:1]
COc1cccc(NC(=O)[C@@H](OC(=O)c2cn3ccccc3n2)c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(O[C@H](C(=O)N[*:1])c1ccccc1)c1cn2ccccc2n1
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccnc1N1CCCCC1 O=C(N[*:1])c1ccoc1 C[C@H](C(=O)Nc1cccnc1N1CCCCC1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccnc1N1CCCCC1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1cccnc1N1CCCCC1
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccnc1N1CCCCC1 C1CCN(CC1)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccnc1[*:1]
O=C(NCc1ccccc1Cn1ccnc1)c1cc2c(s1)CCCCC2 c1cn(cn1)[*:1] O=C(NCc1ccccc1C[*:1])c1cc2CCCCCc2s1
O=C(NCc1ccccc1Cn1ccnc1)c1cc2c(s1)CCCCC2 c1cn(cn1)C[*:1] O=C(NCc1ccccc1[*:1])c1cc2CCCCCc2s1
CC(C)CN(CC(C)C)C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C CC(C)[*:1] CC(C)CN(C[*:1])C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C
CC(C)CN(CC(C)C)C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C CC(C)C[*:1] CC(C)CN(C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[*:1]
N#Cc1ccc(C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)[n-]1 NC(=O)[*:1] N#Cc1ccc([n-]1)C(=O)N1CCC(CC1)Oc1ccnc(c1)[*:1]
COc1cc(F)ccc1NCC(C)(C)C(=O)[O-] O=C([O-])[*:1] COc1cc(F)ccc1NCC(C)(C)[*:1]
Cc1cccc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 c1csc(c1)[*:1] Cc1cccc(c1)NC(=O)C(=O)NCC1CC[NH+](CC1)C[*:1]
Cc1cccc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 c1csc(c1)C[*:1] Cc1cccc(c1)NC(=O)C(=O)NCC1CC[NH+](CC1)[*:1]
Cc1cccc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCC1CC[NH+](CC1)Cc1cccs1)C(=O)N[*:1]
CC(=O)c1csc(NC(=O)COc2ccc(F)cc2Cl)n1 CC(=O)[*:1] O=C(COc1ccc(F)cc1Cl)Nc1nc(cs1)[*:1]
COCCCOC1CN(C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 COCCC[*:1] C[C@@H](NC(=O)N1CC(C1)O[*:1])c1ccc(Cl)cc1
COCCCOC1CN(C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 COCCCO[*:1] C[C@@H](NC(=O)N1CC(C1)[*:1])c1ccc(Cl)cc1
COCCCOC1CN(C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] COCCCOC1CN(C1)C(=O)N[C@H](C)[*:1]
COCCCOC1CN(C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 COC[*:1] C[C@@H](NC(=O)N1CC(C1)OCC[*:1])c1ccc(Cl)cc1
COCCCOC1CN(C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 COCC[*:1] C[C@@H](NC(=O)N1CC(C1)OC[*:1])c1ccc(Cl)cc1
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(F)cc2)NC(=O)N1 CCC[*:1] CCOC(=O)C1=C(NC(=O)N[C@@H]1c1ccc(F)cc1)[*:1]
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(F)cc2)NC(=O)N1 CCOC(=O)[*:1] CCCC1NC(=O)N[C@@H](C=1[*:1])c1ccc(F)cc1
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(F)cc2)NC(=O)N1 Fc1ccc(cc1)[*:1] CCCC1NC(=O)N[C@H](C=1C(=O)OCC)[*:1]
C[NH+](CCS(C)(=O)=O)Cc1ccccc1C#CCO CS(=O)(=O)C[*:1] C[NH+](Cc1ccccc1C#CCO)C[*:1]
C[NH+](CCS(C)(=O)=O)Cc1ccccc1C#CCO OCC#C[*:1] C[NH+](CCS(C)(=O)=O)Cc1ccccc1[*:1]
C[NH+](CCS(C)(=O)=O)Cc1ccccc1C#CCO CS(=O)(=O)[*:1] C[NH+](CC[*:1])Cc1ccccc1C#CCO
C[NH+](CCS(C)(=O)=O)Cc1ccccc1C#CCO CS(=O)(=O)CC[*:1] C[NH+](Cc1ccccc1C#CCO)[*:1]
COc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)nc12 c1ccc(cc1)[*:1] COc1ccc(C)c2sc(nc12)N(C[*:1])C(=O)[C@H]1CCCCN1S(C)(=O)=O
COc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)nc12 c1ccc(cc1)C[*:1] COc1ccc(C)c2sc(nc12)N(C(=O)[C@H]1CCCCN1S(C)(=O)=O)[*:1]
O=C(N[C@@H]1CCOc2ccccc21)c1ccc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] O=C(N[C@@H]1CCOc2ccccc21)c1ccc(nc1)[*:1]
O=C(NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccc(Cl)c1 c1ccc2oc(cc2c1)[*:1] O=C(NC(=S)Nc1ccc(cc1)NC(=O)[*:1])c1cccc(Cl)c1
O=C(NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)NC(=S)NC(=O)[*:1])c1cc2ccccc2o1
C[C@@H]1CC[C@@H](c2nc(=O)c(-c3ccccc3F)c([O-])[nH]2)C1 Fc1ccccc1[*:1] C[C@@H]1CC[C@H](C1)c1nc(=O)c(c([O-])[nH]1)[*:1]
Cc1cc(C)n(-c2ccc(CN(C)[C@H](CCO)c3ccccc3)cc2)n1 OCC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)CN(C)[C@H](c1ccccc1)[*:1]
Cc1cc(C)n(-c2ccc(CN(C)[C@H](CCO)c3ccccc3)cc2)n1 Cc1cc(C)n(n1)[*:1] CN(Cc1ccc(cc1)[*:1])[C@H](CCO)c1ccccc1
Cc1cc(C)n(-c2ccc(CN(C)[C@H](CCO)c3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)CN(C)[C@H](CCO)[*:1]
CCCNc1ccnc(C(=O)Nc2ccc(Br)c(C)n2)c1 CCC[*:1] Cc1nc(ccc1Br)NC(=O)c1cc(ccn1)N[*:1]
CCCNc1ccnc(C(=O)Nc2ccc(Br)c(C)n2)c1 CCCN[*:1] Cc1nc(ccc1Br)NC(=O)c1cc(ccn1)[*:1]
Cc1cccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1C(=O)[O-] O=C([O-])[*:1] Cc1cccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)N2[C@@H](C)C[C@@H]3CCCC[C@@H]32)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)N1[C@@H](C)C[C@@H]2CCCC[C@@H]21)[*:1]
CCOc1cc2c(cc1CNC(=O)c1ccc3c(c1)nnn3CC)O[C@@H](C)C2 CCO[*:1] CCn1nnc2cc(ccc21)C(=O)NCc1cc2O[C@@H](C)Cc2cc1[*:1]
CONC(=O)[C@H](c1ccccc1)C(C)C CONC(=O)[*:1] CC(C)[C@@H](c1ccccc1)[*:1]
CONC(=O)[C@H](c1ccccc1)C(C)C CC(C)[*:1] CONC(=O)[C@H](c1ccccc1)[*:1]
Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(=O)[nH]c([O-])n3)ccc2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])NC(=O)c1cc(=O)[nH]c([O-])n1
c1ccc2c(CSCc3nc(C4CC4)no3)cccc2c1 C1CC1[*:1] c1ccc2c(cccc2c1)CSCc1nc(no1)[*:1]
Cc1cnn(C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)c1 Cc1cnn(c1)[*:1] O=C(NCC(=O)N1CCC(CC1)[*:1])c1ccccc1
Cc1cnn(C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cnn(c1)C1CCN(CC1)C(=O)CNC(=O)[*:1]
COC(=O)[C@@]1(NC2CC2)CC[C@@H](Sc2cccs2)C1 C1CC1N[*:1] COC(=O)[C@]1(CC[C@H](C1)Sc1cccs1)[*:1]
COC(=O)[C@@]1(NC2CC2)CC[C@@H](Sc2cccs2)C1 COC(=O)[*:1] c1csc(c1)S[C@@H]1CC[C@@](C1)(NC1CC1)[*:1]
COC(=O)[C@@]1(NC2CC2)CC[C@@H](Sc2cccs2)C1 C1CC1[*:1] COC(=O)[C@]1(CC[C@H](C1)Sc1cccs1)N[*:1]
COC(=O)[C@@]1(NC2CC2)CC[C@@H](Sc2cccs2)C1 c1csc(c1)S[*:1] COC(=O)[C@]1(CC[C@@H](C1)[*:1])NC1CC1
COC(=O)[C@@]1(NC2CC2)CC[C@@H](Sc2cccs2)C1 c1csc(c1)[*:1] COC(=O)[C@]1(CC[C@H](C1)S[*:1])NC1CC1
CC[C@@H](C(=O)N1CCc2c(N(C)C)nc(N(C)C)[nH+]c2C1)n1cccn1 CC[C@@H](n1cccn1)[*:1] CN(C)c1nc(c2CCN(Cc2[nH+]1)C(=O)[*:1])N(C)C
CC[C@@H](C(=O)N1CCc2c(N(C)C)nc(N(C)C)[nH+]c2C1)n1cccn1 CN(C)[*:1] CC[C@@H](C(=O)N1CCc2c(nc([nH+]c2C1)N(C)C)[*:1])n1cccn1
CC[C@@H](C(=O)N1CCc2c(N(C)C)nc(N(C)C)[nH+]c2C1)n1cccn1 CN(C)[*:1] CC[C@@H](C(=O)N1CCc2c(nc([nH+]c2C1)[*:1])N(C)C)n1cccn1
CC[C@@H](C(=O)N1CCc2c(N(C)C)nc(N(C)C)[nH+]c2C1)n1cccn1 c1cnn(c1)[*:1] CC[C@@H](C(=O)N1CCc2c(nc([nH+]c2C1)N(C)C)N(C)C)[*:1]
CCCN1C(=O)c2c(NC(C)=O)c3cc(OC)ccc3n2C[C@]1(C)C(=O)NC1CCCC1 CCC[*:1] COc1ccc2c(c1)c(NC(C)=O)c1C(=O)N([C@](C)(Cn12)C(=O)NC1CCCC1)[*:1]
CCCN1C(=O)c2c(NC(C)=O)c3cc(OC)ccc3n2C[C@]1(C)C(=O)NC1CCCC1 CC(=O)N[*:1] CCCN1C(=O)c2c(c3cc(ccc3n2C[C@]1(C)C(=O)NC1CCCC1)OC)[*:1]
CCCN1C(=O)c2c(NC(C)=O)c3cc(OC)ccc3n2C[C@]1(C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CCCN1C(=O)c2c(NC(C)=O)c3cc(ccc3n2C[C@]1(C)C(=O)N[*:1])OC
CCCN1C(=O)c2c(NC(C)=O)c3cc(OC)ccc3n2C[C@]1(C)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] CCCN1C(=O)c2c(NC(C)=O)c3cc(ccc3n2C[C@@]1(C)[*:1])OC
Cc1cc(C)c(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CN1CC[NH+](CC1)Cc1ccc2OCOc2c1)N[*:1]
Cc1cc(C)c(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 c1cc2OCOc2cc1[*:1] Cc1cc(C)c(NC(=O)CN2CC[NH+](CC2)C[*:1])c(C)c1
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)cc1 CCOC(=O)[*:1] CC1NC(=O)N[C@H](C=1[*:1])c1ccc(F)cc1
CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC(=O)Nc1cccc(Cl)c1)C2=O Clc1cccc(c1)[*:1] CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC(=O)N[*:1])C2=O
C[C@@H](C[C@H]([NH3+])C(=O)[O-])C1CCOCC1 O=C([O-])[*:1] C[C@@H](C[C@H]([NH3+])[*:1])C1CCOCC1
COc1ccccc1[C@H](O)c1c[nH+]cn1C1CC1 C1CC1[*:1] COc1ccccc1[C@H](O)c1c[nH+]cn1[*:1]
CC(=O)c1cccc(NC(=O)Cn2cc[nH+]c2)c1 CC(=O)[*:1] O=C(Cn1cc[nH+]c1)Nc1cccc(c1)[*:1]
C[C@@H](C(=O)[O-])[C@H](C)[S@](C)=O C[S@](=O)[*:1] C[C@@H](C(=O)[O-])[C@H](C)[*:1]
C[C@@H](C(=O)[O-])[C@H](C)[S@](C)=O O=C([O-])[*:1] C[C@@H]([C@H](C)[*:1])[S@](C)=O
CCS[C@H]1CCCCN(C(=O)N[C@@H]2CCCn3nc(CC)nc32)C1 CCS[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N1CCCC[C@@H](C1)[*:1]
CC(C)(C)[C@@H]1CCCC[C@]1(O)[C@]1(C#N)CCOC1 CC(C)(C)[*:1] N#C[C@]1(CCOC1)[C@@]1(O)CCCC[C@H]1[*:1]
C[C@]12CC[C@H]3c4ccc(O)cc4/C(=N\OCC(=O)[O-])C[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O O=C([O-])[*:1] C[C@]12CC[C@H]3c4ccc(O)cc4/C(C[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O)=N\OC[*:1]
C[C@]12CC[C@H]3c4ccc(O)cc4/C(=N\OCC(=O)[O-])C[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O O=C([O-])C[*:1] C[C@]12CC[C@H]3c4ccc(O)cc4/C(C[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O)=N\O[*:1]
CC(C)CN(C)[C@H]1CCC[NH2+]C1 CC(C)[*:1] CN(C[*:1])[C@H]1CCC[NH2+]C1
CC(C)CN(C)[C@H]1CCC[NH2+]C1 CC(C)C[*:1] CN([C@H]1CCC[NH2+]C1)[*:1]
Cc1noc(C)c1CN1CCN(C(=O)CC2CCCCC2)CC1 Cc1noc(C)c1[*:1] O=C(CC1CCCCC1)N1CCN(CC1)C[*:1]
Cc1noc(C)c1CN1CCN(C(=O)CC2CCCCC2)CC1 C1CCC(CC1)[*:1] Cc1noc(C)c1CN1CCN(CC1)C(=O)C[*:1]
Cc1noc(C)c1CN1CCN(C(=O)CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] Cc1noc(C)c1CN1CCN(CC1)C(=O)[*:1]
CCS(=O)(=O)N1CCc2cc(-c3csc(-c4ccccc4O)n3)ccc21 Oc1ccccc1[*:1] CCS(=O)(=O)N1CCc2cc(ccc21)-c1csc(n1)[*:1]
C=CCn1c(CCCc2ccc(OC)c(C)c2)n[nH]c1=S C=CC[*:1] COc1ccc(cc1C)CCCc1n[nH]c(=S)n1[*:1]
CC(C)C[C@@](C)(NC(=O)c1c(O)cc(F)cc1F)C(N)=O CC(C)C[*:1] C[C@@](NC(=O)c1c(O)cc(F)cc1F)(C(N)=O)[*:1]
CC(C)C[C@@](C)(NC(=O)c1c(O)cc(F)cc1F)C(N)=O NC(=O)[*:1] CC(C)C[C@@](C)(NC(=O)c1c(O)cc(F)cc1F)[*:1]
CC(C)C[C@@](C)(NC(=O)c1c(O)cc(F)cc1F)C(N)=O CC(C)[*:1] C[C@](C[*:1])(NC(=O)c1c(O)cc(F)cc1F)C(N)=O
C[C@@H]1C[C@H]([NH3+])CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 FC(F)(F)[*:1] C[C@@H]1C[C@H]([NH3+])CN(C1)C(=O)Cc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(-n2ccnc2-c2ccc(O)c(C(=O)[O-])c2)cc1 NS(=O)(=O)[*:1] O=C([O-])c1cc(ccc1O)-c1nccn1-c1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(-n2ccnc2-c2ccc(O)c(C(=O)[O-])c2)cc1 O=C([O-])[*:1] NS(=O)(=O)c1ccc(cc1)-n1ccnc1-c1ccc(O)c(c1)[*:1]
Cc1cc(C)n(-c2nc(-c3ccccn3)cc3n[nH]c(=O)n23)n1 c1ccc(nc1)[*:1] Cc1cc(C)n(n1)-c1nc(cc2n[nH]c(=O)n12)[*:1]
Cc1cc(C)n(-c2nc(-c3ccccn3)cc3n[nH]c(=O)n23)n1 Cc1cc(C)n(n1)[*:1] O=c1[nH]nc2cc(nc(n12)[*:1])-c1ccccn1
COc1ccc(-c2nnc(SCC(=O)c3ccccc3Cl)n2C)cc1 COc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)c1ccccc1Cl
COc1ccc(-c2nnc(SCC(=O)c3ccccc3Cl)n2C)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-c1nnc(SCC(=O)[*:1])n1C
COc1ccc(CC(=O)NCc2nc(-c3cccnc3)n[nH]2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)CC(=O)NCc1nc(n[nH]1)[*:1]
Cc1ccsc1C(=O)NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] Cc1ccsc1[*:1] O=C(NNC(=O)[*:1])[C@@H]1C[C@@H]1[N+](=O)[O-]
Cc1ccsc1C(=O)NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccsc1C(=O)NNC(=O)[C@@H]1C[C@H]1[*:1]
C[C@H](Cc1ccsc1)NC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] C[C@H](Cc1ccsc1)NC(=O)N1CCN(CC1)C(=O)[*:1]
C[C@H](Cc1ccsc1)NC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 c1cc(cs1)[*:1] C[C@H](C[*:1])NC(=O)N1CCN(CC1)C(=O)Cc1ccccc1F
C[C@H](Cc1ccsc1)NC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1[*:1] C[C@H](Cc1ccsc1)NC(=O)N1CCN(CC1)C(=O)C[*:1]
C[C@H](Cc1ccsc1)NC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 c1cc(cs1)C[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)Cc1ccccc1F)[*:1]
C=CCC[C@H](C)OC(=O)c1csc(NC(C)=O)n1 CC(=O)N[*:1] C=CCC[C@H](C)OC(=O)c1csc(n1)[*:1]
C=CCC[C@H](C)OC(=O)c1csc(NC(C)=O)n1 C=CCC[*:1] CC(=O)Nc1nc(cs1)C(=O)O[C@@H](C)[*:1]
C=CCC[C@H](C)OC(=O)c1csc(NC(C)=O)n1 C=CCC[C@H](C)[*:1] CC(=O)Nc1nc(cs1)C(=O)O[*:1]
C=CCC[C@H](C)OC(=O)c1csc(NC(C)=O)n1 C=CC[*:1] CC(=O)Nc1nc(cs1)C(=O)O[C@@H](C)C[*:1]
Cc1cc2nc(N(CC[NH+](C)C)C(=O)COc3ccccc3)sc2cc1C c1ccc(cc1)O[*:1] Cc1cc2nc(sc2cc1C)N(CC[NH+](C)C)C(=O)C[*:1]
Cc1cc2nc(N(CC[NH+](C)C)C(=O)COc3ccccc3)sc2cc1C c1ccc(cc1)OC[*:1] Cc1cc2nc(sc2cc1C)N(CC[NH+](C)C)C(=O)[*:1]
Cc1cc2nc(N(CC[NH+](C)C)C(=O)COc3ccccc3)sc2cc1C c1ccc(cc1)[*:1] Cc1cc2nc(sc2cc1C)N(CC[NH+](C)C)C(=O)CO[*:1]
COc1cccc(C[NH2+]C[C@H]2CCCO2)c1OC(C)C CC(C)[*:1] COc1cccc(C[NH2+]C[C@H]2CCCO2)c1O[*:1]
COc1cccc(C[NH2+]C[C@H]2CCCO2)c1OC(C)C CC(C)O[*:1] COc1cccc(C[NH2+]C[C@H]2CCCO2)c1[*:1]
C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 C1CN(CCO1)[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2nc(oc2c1)[*:1]
CCOc1ccc(CNC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)cc1OC CCOc1ccc(cc1OC)[*:1] O=C1CCCc2c1cc(C(=O)NC[*:1])c(=O)n2-c1ccc(F)cc1
CCOc1ccc(CNC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)cc1OC Fc1ccc(cc1)[*:1] CCOc1ccc(cc1OC)CNC(=O)c1cc2C(=O)CCCc2n(c1=O)[*:1]
CCOc1ccc(CNC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CNC(=O)c1cc2C(=O)CCCc2n(-c2ccc(F)cc2)c1=O
CC[C@@H](CCO)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O CC[C@@H](CCO)[*:1] O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[*:1]
CC[C@@H](CCO)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CC[C@@H](CCO)NC(=O)N[C@H]1CCCN(C1=O)[*:1]
CC[C@@H](CCO)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O OCC[*:1] CC[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
CC[C@@H](CCO)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CC[C@@H](CCO)NC(=O)N[C@H]1CCCN(C[*:1])C1=O
CC(C)c1ccccc1NC(=O)N(C)[C@@H](C)c1ccccc1F Fc1ccccc1[*:1] CC(C)c1ccccc1NC(=O)N(C)[C@@H](C)[*:1]
CC(C)c1ccccc1NC(=O)N(C)[C@@H](C)c1ccccc1F CC(C)[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccccc1[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)NC(CO)CO)cc1 CC(C)[*:1] C[C@H](NC(=O)NC(CO)CO)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)NC(CO)CO)cc1 CC(C)O[*:1] C[C@H](NC(=O)NC(CO)CO)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)NC(CO)CO)cc1 OCC(CO)[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)N[*:1]
CCc1ccc(S(=O)(=O)N(CC#N)CC#N)cc1N N#CC[*:1] CCc1ccc(cc1N)S(=O)(=O)N(CC#N)[*:1]
CC(=O)N1CCN(CCNC(=O)[C@@H](C)NC(=O)c2cccs2)CC1 c1csc(c1)[*:1] CC(=O)N1CCN(CCNC(=O)[C@@H](C)NC(=O)[*:1])CC1
CC(=O)N1CCN(CCNC(=O)[C@@H](C)NC(=O)c2cccs2)CC1 O=C(N[*:1])c1cccs1 CC(=O)N1CCN(CCNC(=O)[C@@H](C)[*:1])CC1
N#Cc1cc(F)ccc1CSc1nnc(Cc2ccccc2F)o1 Fc1ccccc1C[*:1] N#Cc1cc(F)ccc1CSc1nnc(o1)[*:1]
N#Cc1cc(F)ccc1CSc1nnc(Cc2ccccc2F)o1 Fc1ccccc1[*:1] N#Cc1cc(F)ccc1CSc1nnc(C[*:1])o1
CCCc1nc2sc3c(NCCN4CCOCC4)nc(SC)nc3c2c2c1CCC2 C(CN1CCOCC1)N[*:1] CCCc1nc2sc3c(nc(nc3c2c2CCCc12)SC)[*:1]
CCCc1nc2sc3c(NCCN4CCOCC4)nc(SC)nc3c2c2c1CCC2 CCC[*:1] CSc1nc(NCCN2CCOCC2)c2sc3nc(c4CCCc4c3c2n1)[*:1]
CCCc1nc2sc3c(NCCN4CCOCC4)nc(SC)nc3c2c2c1CCC2 C1CN(CCO1)[*:1] CCCc1nc2sc3c(nc(nc3c2c2CCCc12)SC)NCC[*:1]
CCCc1nc2sc3c(NCCN4CCOCC4)nc(SC)nc3c2c2c1CCC2 C1CN(CCO1)CC[*:1] CCCc1nc2sc3c(nc(nc3c2c2CCCc12)SC)N[*:1]
CCCc1nc2sc3c(NCCN4CCOCC4)nc(SC)nc3c2c2c1CCC2 C1CN(CCO1)C[*:1] CCCc1nc2sc3c(nc(nc3c2c2CCCc12)SC)NC[*:1]
Cc1nc(-c2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2)cc(=O)[nH]1 c1cncc(c1)C[*:1] Cc1nc(cc(=O)[nH]1)-c1ccc(cc1)NC(=O)N(C[C@@H]1CCCO1)[*:1]
Cc1nc(-c2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2)cc(=O)[nH]1 c1cncc(c1)[*:1] Cc1nc(cc(=O)[nH]1)-c1ccc(cc1)NC(=O)N(C[C@@H]1CCCO1)C[*:1]
Cc1nc(-c2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2)cc(=O)[nH]1 Cc1nc(cc(=O)[nH]1)[*:1] O=C(Nc1ccc(cc1)[*:1])N(Cc1cccnc1)C[C@@H]1CCCO1
CCC[C@@H](CS)CN1CCN(C)C(=O)C1=O CCC[*:1] CN1CCN(C[C@H](CS)[*:1])C(=O)C1=O
Cc1cc(C)n(-c2cc(N3CCCCC3)nc(-c3ccccc3)n2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1cc(nc(n1)[*:1])N1CCCCC1
Cc1cc(C)n(-c2cc(N3CCCCC3)nc(-c3ccccc3)n2)n1 Cc1cc(C)n(n1)[*:1] c1ccc(cc1)-c1nc(cc(n1)[*:1])N1CCCCC1
Cc1cc(C)n(-c2cc(N3CCCCC3)nc(-c3ccccc3)n2)n1 C1CCN(CC1)[*:1] Cc1cc(C)n(n1)-c1cc(nc(n1)-c1ccccc1)[*:1]
Cc1cnc(NC(=O)NCC2CCC2)s1 C1CC(C1)[*:1] Cc1cnc(NC(=O)NC[*:1])s1
Cc1cnc(NC(=O)NCC2CCC2)s1 C1CC(C1)C[*:1] Cc1cnc(NC(=O)N[*:1])s1
O=C(COCc1ccccc1)NNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 c1ccc(cc1)C[*:1] O=C(CO[*:1])NNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2
O=C(COCc1ccccc1)NNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 c1ccc(cc1)[*:1] O=C(COC[*:1])NNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2
C[C@H]1CS/C(=N\c2ccccc2-c2ccccc2)N1 c1ccc(cc1)[*:1] C[C@H]1CS/C(=N\c2ccccc2[*:1])N1
Cc1nc2sc(C(=O)OCC(=O)NCc3ccco3)c(C)c2c(=O)[nH]1 c1coc(c1)C[*:1] Cc1nc2sc(C(=O)OCC(=O)N[*:1])c(C)c2c(=O)[nH]1
Cc1nc2sc(C(=O)OCC(=O)NCc3ccco3)c(C)c2c(=O)[nH]1 c1coc(c1)[*:1] Cc1nc2sc(C(=O)OCC(=O)NC[*:1])c(C)c2c(=O)[nH]1
O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN(C1)C(=O)N1CCCC1
CN(C(=O)COc1ccc(C#N)cc1Cl)C(c1ccccc1)c1ccccc1 N#Cc1ccc(c(Cl)c1)[*:1] CN(C(=O)CO[*:1])C(c1ccccc1)c1ccccc1
CN(C(=O)COc1ccc(C#N)cc1Cl)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)COc1ccc(C#N)cc1Cl)C(c1ccccc1)[*:1]
Cc1nc2ccccn2c(=O)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1nc2ccccn2c(=O)c1NC(=O)[C@@H](C)O[*:1]
COc1ccccc1NCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C COc1ccccc1[*:1] CC1=NN(CCN[*:1])c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C
COc1ccccc1NCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C COc1ccccc1NC[*:1] CC1=NN(C[*:1])c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C
COc1ccccc1NCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C COc1ccccc1N[*:1] CC1=NN(CC[*:1])c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C
N#CCCN(Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 N#CC[*:1] O=[N+]([O-])c1ccc2c(cnn2CN(C[*:1])C2CC2)c1
N#CCCN(Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 N#CCC[*:1] O=[N+]([O-])c1ccc2c(cnn2CN(C2CC2)[*:1])c1
N#CCCN(Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 O=[N+]([O-])[*:1] N#CCCN(Cn1ncc2cc(ccc21)[*:1])C1CC1
N#CCCN(Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 C1CC1[*:1] N#CCCN(Cn1ncc2cc(ccc21)[N+](=O)[O-])[*:1]
CCC[C@@H](CC(=O)OC)NC(=O)c1cc(Br)cn1C CCC[*:1] COC(=O)C[C@@H](NC(=O)c1cc(Br)cn1C)[*:1]
CCC[C@@H](CC(=O)OC)NC(=O)c1cc(Br)cn1C COC(=O)[*:1] CCC[C@@H](C[*:1])NC(=O)c1cc(Br)cn1C
CCC[C@@H](CC(=O)OC)NC(=O)c1cc(Br)cn1C COC(=O)C[*:1] CCC[C@@H](NC(=O)c1cc(Br)cn1C)[*:1]
Cn1c([O-])c(Sc2ccc([N+](=O)[O-])cc2)c(=O)c2ccccc21 O=[N+]([O-])[*:1] Cn1c([O-])c(Sc2ccc(cc2)[*:1])c(=O)c2ccccc21
Cc1cccc(CCNC(=O)c2cccc(S(C)(=O)=O)c2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)NCC[*:1]
Cc1cccc(CCNC(=O)c2cccc(S(C)(=O)=O)c2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)CCNC(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 CC(C)[*:1] O=C(N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)N[*:1]
CC(C)NC(=O)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 CC(C)NC(=O)N[*:1] Fc1cc(F)cc(c1)-n1ncc2c1CCC[C@@H]2[*:1]
CC(C)NC(=O)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] CC(C)NC(=O)N[C@H]1CCCc2c1cnn2[*:1]
Cc1cc(Br)c(O)c(C(=O)N[C@](C)(CC(C)C)C(N)=O)c1 CC(C)[*:1] Cc1cc(Br)c(O)c(c1)C(=O)N[C@](C)(C[*:1])C(N)=O
Cc1cc(Br)c(O)c(C(=O)N[C@](C)(CC(C)C)C(N)=O)c1 NC(=O)[*:1] Cc1cc(Br)c(O)c(c1)C(=O)N[C@](C)(CC(C)C)[*:1]
Cc1cc(Br)c(O)c(C(=O)N[C@](C)(CC(C)C)C(N)=O)c1 CC(C)C[*:1] Cc1cc(Br)c(O)c(c1)C(=O)N[C@](C)(C(N)=O)[*:1]
CCN1CCN(C(=O)CC(C)(C)C)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O CC(C)(C)[*:1] CCN1CCN(C[C@@H](Cc2cccc(c2)-c2ccncc2)C1=O)C(=O)C[*:1]
CCN1CCN(C(=O)CC(C)(C)C)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O CC(C)(C)C[*:1] CCN1CCN(C[C@@H](Cc2cccc(c2)-c2ccncc2)C1=O)C(=O)[*:1]
CCN1CCN(C(=O)CC(C)(C)C)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O c1cc(ccn1)[*:1] CCN1CCN(C[C@@H](Cc2cccc(c2)[*:1])C1=O)C(=O)CC(C)(C)C
CC(=O)Nc1ccc(Cl)cc1NCc1noc(-c2ccoc2)n1 CC(=O)N[*:1] Clc1ccc(c(c1)NCc1noc(n1)-c1ccoc1)[*:1]
CC(=O)Nc1ccc(Cl)cc1NCc1noc(-c2ccoc2)n1 c1cc(co1)[*:1] CC(=O)Nc1ccc(Cl)cc1NCc1noc(n1)[*:1]
Cc1noc([C@@H](C)OC(=O)C(C)(C)c2cccc(Cl)c2)n1 Cc1noc(n1)[*:1] C[C@@H](OC(=O)C(C)(C)c1cccc(Cl)c1)[*:1]
Cc1noc([C@@H](C)OC(=O)C(C)(C)c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] Cc1noc(n1)[C@@H](C)OC(=O)C(C)(C)[*:1]
CN(C[C@@H](O)CN1CC[NH+](C)CC1)c1nc2ccccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C[C@@H](O)CN1CC[NH+](C)CC1)c1nc2ccccn2c1[*:1]
[NH3+]C1(CC(=O)N2CCC[NH2+]CC2)CCC1 [NH3+]C1(CCC1)[*:1] O=C(C[*:1])N1CCC[NH2+]CC1
C[C@@H]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C[C@@H]1O O=C(N[*:1])c1cccs1 C[C@@H]1CCN(C[C@@H]1O)C(=O)c1ccc(cc1)C[*:1]
C[C@@H]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C[C@@H]1O c1csc(c1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1ccc(cc1)CNC(=O)[*:1]
Cc1cnc(CC[NH+](C)Cc2cccc(O)c2)s1 Cc1cnc(s1)[*:1] C[NH+](CC[*:1])Cc1cccc(O)c1
CC(C)CS[C@H]1CCC[C@]([NH2+]C2CC2)(C(N)=O)C1 CC(C)C[*:1] NC(=O)[C@]1(CCC[C@@H](C1)S[*:1])[NH2+]C1CC1
CC(C)CS[C@H]1CCC[C@]([NH2+]C2CC2)(C(N)=O)C1 C1CC1[*:1] CC(C)CS[C@H]1CCC[C@](C1)([NH2+][*:1])C(N)=O
CC(C)CS[C@H]1CCC[C@]([NH2+]C2CC2)(C(N)=O)C1 CC(C)[*:1] NC(=O)[C@]1(CCC[C@@H](C1)SC[*:1])[NH2+]C1CC1
CC(C)CS[C@H]1CCC[C@]([NH2+]C2CC2)(C(N)=O)C1 NC(=O)[*:1] CC(C)CS[C@H]1CCC[C@@](C1)([NH2+]C1CC1)[*:1]
CC(C)CS[C@H]1CCC[C@]([NH2+]C2CC2)(C(N)=O)C1 CC(C)CS[*:1] NC(=O)[C@]1(CCC[C@@H](C1)[*:1])[NH2+]C1CC1
CCc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc3ncccc23)n1 CCc1ccccc1N[*:1] Nc1nc(COC(=O)c2cccc3ncccc23)nc(n1)[*:1]
CCc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc3ncccc23)n1 CCc1ccccc1[*:1] Nc1nc(COC(=O)c2cccc3ncccc23)nc(n1)N[*:1]
CCc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc3ncccc23)n1 c1cc(c2cccnc2c1)[*:1] CCc1ccccc1Nc1nc(N)nc(COC(=O)[*:1])n1
CCOc1ccc(F)c(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c1F CCO[*:1] CC(C)(C)C(=O)N1CCN(CC1)C(=O)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c1F CC(C)(C)[*:1] CCOc1ccc(F)c(C(=O)N2CCN(CC2)C(=O)[*:1])c1F
CCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 CCCC[*:1] O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)[*:1]
CCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCCCC(=O)Nc1cc(nn1-c1ccccc1)[*:1]
CCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCCCC(=O)Nc1cc(nn1[*:1])-c1ccccc1
CCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 CCCCC(=O)N[*:1] c1ccc(cc1)-c1cc(n(n1)-c1ccccc1)[*:1]
CCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 CCC[*:1] O=C(C[*:1])Nc1cc(nn1-c1ccccc1)-c1ccccc1
CC(C)[NH+]1CCCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)NCc1cnn(c1)[*:1]
CC(C)[NH+]1CCCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 CC(C)[*:1] O=C(NCc1cnn(c1)-c1ccccc1)N1CCC[NH+](CC1)[*:1]
O=C(CCC1=NC(=O)C2=C3CCC[C@@H]3SC2=N1)NCc1ccccc1OC(F)(F)F FC(F)(F)[*:1] O=C(CCC1=NC(=O)C2C(=N1)S[C@H]1CCCC=21)NCc1ccccc1O[*:1]
O=C(CCC1=NC(=O)C2=C3CCC[C@@H]3SC2=N1)NCc1ccccc1OC(F)(F)F FC(F)(F)O[*:1] O=C(CCC1=NC(=O)C2C(=N1)S[C@H]1CCCC=21)NCc1ccccc1[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 C(=C[*:1])c1ccc2OCOc2c1 O=C(NNC(=O)[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] O=C(/C=C/c1ccc2OCOc2c1)NNC(=O)c1nn(C[*:1])c(=O)c2ccccc12
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)C[*:1] O=C(/C=C/c1ccc2OCOc2c1)NNC(=O)c1nn(c(=O)c2ccccc12)[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 c1cc2OCOc2cc1[*:1] O=C(C=C[*:1])NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
NS(=O)(=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] NS(=O)(=O)N1CCN(CC1)[*:1]
Cc1cc(C)c(NC(=O)CNc2ccc(NC(=O)CC(C)C)cc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CC(C)CC(=O)Nc1ccc(cc1)NCC(=O)N[*:1]
Cc1cc(C)c(NC(=O)CNc2ccc(NC(=O)CC(C)C)cc2)c(C)c1 CC(C)CC(=O)N[*:1] Cc1cc(C)c(NC(=O)CNc2ccc(cc2)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CNc2ccc(NC(=O)CC(C)C)cc2)c(C)c1 CC(C)[*:1] Cc1cc(C)c(NC(=O)CNc2ccc(cc2)NC(=O)C[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CNc2ccc(NC(=O)CC(C)C)cc2)c(C)c1 CC(C)C[*:1] Cc1cc(C)c(NC(=O)CNc2ccc(cc2)NC(=O)[*:1])c(C)c1
Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(CC1)c1ccccc1[*:1]
Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 Cc1[nH]c(=O)sc1[*:1] O=[N+]([O-])c1ccccc1N1CCN(CC1)S(=O)(=O)[*:1]
CCCC(=O)c1ccc2ccccc2c1O CCC[*:1] O=C(c1ccc2ccccc2c1O)[*:1]
CCCC(=O)c1ccc2ccccc2c1O CCCC(=O)[*:1] Oc1c(ccc2ccccc12)[*:1]
Cc1ccc(N2C(=O)[C@H]3SC(N)=C(C#N)[C@@H](c4ccco4)[C@H]3C2=O)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N1C(=O)[C@H]2SC(N)=C(C#N)[C@@H]([C@H]2C1=O)[*:1]
Cc1ccc(N2C(=O)[C@H]3SC(N)=C(C#N)[C@@H](c4ccco4)[C@H]3C2=O)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(N)S[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]1c1ccco1)[*:1]
CC(C)N(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 CC(C)N(C)C(=O)[*:1] O=S(=O)(c1cccnc1)N1CCC(CC1)[*:1]
CC(C)N(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] CC(C)N(C)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)N(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 CC(C)[*:1] CN(C(=O)C1CCN(CC1)S(=O)(=O)c1cccnc1)[*:1]
CCN(CC)C(=S)SCC(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=S)SCC(=O)N(C)[*:1]
CC/[NH+]=C(/NC[C@](C)(O)c1cnn(C)c1)N[C@H]1C[C@@H]1C C[C@H]1C[C@@H]1[*:1] CC/[NH+]=C(/NC[C@](C)(O)c1cnn(C)c1)N[*:1]
CC/[NH+]=C(/NC[C@](C)(O)c1cnn(C)c1)N[C@H]1C[C@@H]1C Cn1cc(cn1)[*:1] CC/[NH+]=C(/NC[C@](C)(O)[*:1])N[C@H]1C[C@@H]1C
Cc1ncc(-c2ccc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)cc2)o1 Cc1ncc(o1)[*:1] O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc(cc1)[*:1]
Cc1ccc(F)cc1NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 Cc1ccc(F)cc1[*:1] O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C1)C(=O)N[*:1]
Cc1ccc(F)cc1NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 Clc1ccc(nc1)[*:1] Cc1ccc(F)cc1NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1cccc(N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C Cc1cccc(c1C)[*:1] C[C@@H](N[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
Cc1cccc(N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C NS(=O)(=O)[*:1] Cc1cccc(N[C@H](C)C(=O)Nc2ccc(cc2)[*:1])c1C
C/C(NC1CC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] C/C(NC1CC1)=C1/C(=O)NC(=O)N(C1=O)[*:1]
C/C(NC1CC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O C1CC1N[*:1] CC(=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O)[*:1]
C/C(NC1CC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O C1CC1[*:1] C/C(N[*:1])=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O
C/C(NC1CC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] C/C(NC1CC1)=C1/C(=O)NC(=O)N(C[*:1])C1=O
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4cc(C)on4)[C@H]3c3ccc(C(C)C)cc3)oc12 CC(C)c1ccc(cc1)[*:1] COc1cccc2cc(oc12)C(=O)C1=C([O-])C(=O)N(c2cc(C)on2)[C@@H]1[*:1]
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4cc(C)on4)[C@H]3c3ccc(C(C)C)cc3)oc12 CC(C)[*:1] COc1cccc2cc(oc12)C(=O)C1=C([O-])C(=O)N(c2cc(C)on2)[C@H]1c1ccc(cc1)[*:1]
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4cc(C)on4)[C@H]3c3ccc(C(C)C)cc3)oc12 Cc1cc(no1)[*:1] COc1cccc2cc(oc12)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)C(C)C)[*:1]
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4cc(C)on4)[C@H]3c3ccc(C(C)C)cc3)oc12 COc1cccc2cc(oc12)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(cc1)C(C)C
CCCCN1C(=O)N[C@](NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C1=O FC(F)(F)[*:1] CCCCN1C(=O)N[C@](NC(=O)c2cccc(Cl)c2)(C1=O)[*:1]
CCCCN1C(=O)N[C@](NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C1=O CCC[*:1] O=C(N[C@@]1(NC(=O)N(C[*:1])C1=O)C(F)(F)F)c1cccc(Cl)c1
CCCCN1C(=O)N[C@](NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C1=O CCCC[*:1] O=C(N[C@@]1(NC(=O)N(C1=O)[*:1])C(F)(F)F)c1cccc(Cl)c1
CCCCN1C(=O)N[C@](NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C1=O Clc1cccc(c1)[*:1] CCCCN1C(=O)N[C@@](NC(=O)[*:1])(C1=O)C(F)(F)F
C#Cc1cccc(N(C(=O)[C@H]2Cc3ccccc3O2)C(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(C(=O)[C@H]1Cc2ccccc2O1)[*:1]
CC(C)CC[C@@H](C)[NH2+]CCC(=O)N(C)C CN(C)C(=O)[*:1] CC(C)CC[C@@H](C)[NH2+]CC[*:1]
CC(C)CC[C@@H](C)[NH2+]CCC(=O)N(C)C CC(C)C[*:1] C[C@H](C[*:1])[NH2+]CCC(=O)N(C)C
CC(C)CC[C@@H](C)[NH2+]CCC(=O)N(C)C CC(C)CC[*:1] C[C@@H]([NH2+]CCC(=O)N(C)C)[*:1]
CC(C)CC[C@@H](C)[NH2+]CCC(=O)N(C)C CC(C)[*:1] C[C@H](CC[*:1])[NH2+]CCC(=O)N(C)C
Cc1ccccc1S(=O)(=O)Cc1nnnn1-c1ccc(OC(F)F)cc1 FC(F)O[*:1] Cc1ccccc1S(=O)(=O)Cc1nnnn1-c1ccc(cc1)[*:1]
Cc1ccccc1S(=O)(=O)Cc1nnnn1-c1ccc(OC(F)F)cc1 FC(F)[*:1] Cc1ccccc1S(=O)(=O)Cc1nnnn1-c1ccc(cc1)O[*:1]
Cc1ccccc1S(=O)(=O)Cc1nnnn1-c1ccc(OC(F)F)cc1 Cc1ccccc1[*:1] O=S(=O)(Cc1nnnn1-c1ccc(cc1)OC(F)F)[*:1]
CCOC(=O)C1CCC(Nc2ccc(Cn3cccn3)cc2)CC1 c1cnn(c1)[*:1] CCOC(=O)C1CCC(CC1)Nc1ccc(cc1)C[*:1]
CCOC(=O)C1CCC(Nc2ccc(Cn3cccn3)cc2)CC1 CCOC(=O)[*:1] c1cnn(c1)Cc1ccc(cc1)NC1CCC(CC1)[*:1]
CCOC(=O)C1CCC(Nc2ccc(Cn3cccn3)cc2)CC1 c1cnn(c1)C[*:1] CCOC(=O)C1CCC(CC1)Nc1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)C[*:1]
Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC(=O)N(CC(F)(F)F)C1 Cc1ccccc1[*:1] C[C@H](CC(=O)N[*:1])[NH2+][C@H]1CC(=O)N(C1)CC(F)(F)F
C=CCN1C(=O)[C@@](Nc2ncccc2C)(C(F)(F)F)N=C1c1ccccc1 Cc1cccnc1[*:1] C=CCN1C(=O)[C@@](N=C1c1ccccc1)(N[*:1])C(F)(F)F
C=CCN1C(=O)[C@@](Nc2ncccc2C)(C(F)(F)F)N=C1c1ccccc1 C=CC[*:1] Cc1cccnc1N[C@@]1(N=C(c2ccccc2)N(C1=O)[*:1])C(F)(F)F
C=CCN1C(=O)[C@@](Nc2ncccc2C)(C(F)(F)F)N=C1c1ccccc1 Cc1cccnc1N[*:1] C=CCN1C(=O)[C@](N=C1c1ccccc1)(C(F)(F)F)[*:1]
C=CCN1C(=O)[C@@](Nc2ncccc2C)(C(F)(F)F)N=C1c1ccccc1 c1ccc(cc1)[*:1] C=CCN1C(=O)[C@@](N=C1[*:1])(Nc1ncccc1C)C(F)(F)F
C=CCN1C(=O)[C@@](Nc2ncccc2C)(C(F)(F)F)N=C1c1ccccc1 FC(F)(F)[*:1] C=CCN1C(=O)[C@](N=C1c1ccccc1)(Nc1ncccc1C)[*:1]
CNc1nc(-c2cnn(C)c2C)nc(COC)c1Br COC[*:1] CNc1nc(nc(c1Br)[*:1])-c1cnn(C)c1C
COc1cc(OC)c(NC(=O)[C@H](C)NC(=O)c2cccs2)cc1F c1csc(c1)[*:1] COc1cc(OC)c(cc1F)NC(=O)[C@H](C)NC(=O)[*:1]
COc1cc(OC)c(NC(=O)[C@H](C)NC(=O)c2cccs2)cc1F O=C(N[*:1])c1cccs1 COc1cc(OC)c(cc1F)NC(=O)[C@H](C)[*:1]
CC[C@H](NC(=O)N1CCNC(=O)CC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)N1CCNC(=O)CC1)c1cccc(c1)[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)[C@H]2CCC(=O)N2)n1 Cc1cc(C)n(n1)[*:1] O=C1CC[C@@H](N1)C(=O)Nc1ccccc1[*:1]
C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H]1COCCN1C(=O)c1ccc(cc1)[*:1]
Cc1cc(C)c(C(=O)NC[C@H]2CC[C@@H](C(=O)[O-])O2)c(C)c1 O=C([O-])[*:1] Cc1cc(C)c(C(=O)NC[C@H]2CC[C@@H](O2)[*:1])c(C)c1
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Br)c(F)c1 Fc1cc(ccc1Br)[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCCCC1
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Br)c(F)c1 O=C(N1CCCCC1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Br)c(F)c1
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(C)o2)n2ncnc2N1 Clc1ccc(cc1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)N[*:1])c1ccc(C)o1
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(C)o2)n2ncnc2N1 Cc1ccc(o1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)Nc1ccc(Cl)cc1)[*:1]
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 c1cc2OCCOc2cc1[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 O=c1[nH]c(nc2ccccc12)[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Cc1cccnc1CNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 Cc1cccnc1C[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)C(=O)N[*:1]
Cc1cccnc1CNC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 Cc1cccnc1[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)C(=O)NC[*:1]
Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1C Clc1ccc(cc1)O[*:1] Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)[*:1])c1C
Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1C Cc1cccc(c1C)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)CC(=O)N[*:1]
Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)O[*:1])c1C
COc1ccccc1[C@H]1CCCN1CCc1nc2ccccc2c(=O)[nH]1 COc1ccccc1[*:1] O=c1[nH]c(CCN2CCC[C@@H]2[*:1])nc2ccccc12
CCC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 CCC(=O)N[*:1] O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)[C@@H]1CC=CC[C@H]1[*:1]
CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)CCl)CC1 c1ccc(cc1)[*:1] CCN(C(=O)OC[*:1])C1CCN(CC1)C(=O)CCl
CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)CCl)CC1 c1ccc(cc1)C[*:1] CCN(C(=O)O[*:1])C1CCN(CC1)C(=O)CCl
CCc1ccc(-c2nc(CC(=O)N3CCCN(C(C)=O)CC3)cs2)cc1 CCc1ccc(cc1)[*:1] CC(=O)N1CCCN(CC1)C(=O)Cc1csc(n1)[*:1]
C[C@@H]1C[C@@H](CC(=O)NCCCCC(N)=O)CC(C)(C)C1 NC(=O)CC[*:1] C[C@@H]1C[C@@H](CC(=O)NCC[*:1])CC(C)(C)C1
C[C@@H]1C[C@@H](CC(=O)NCCCCC(N)=O)CC(C)(C)C1 NC(=O)CCC[*:1] C[C@@H]1C[C@@H](CC(=O)NC[*:1])CC(C)(C)C1
C[C@@H]1C[C@@H](CC(=O)NCCCCC(N)=O)CC(C)(C)C1 NC(=O)C[*:1] C[C@@H]1C[C@@H](CC(=O)NCCC[*:1])CC(C)(C)C1
C[C@@H]1C[C@@H](CC(=O)NCCCCC(N)=O)CC(C)(C)C1 NC(=O)[*:1] C[C@@H]1C[C@@H](CC(=O)NCCCC[*:1])CC(C)(C)C1
C[C@H]1OCC[C@@H]1C(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CC=C(CC1)[*:1]
CC(=O)Nc1ccc([S@@](=O)Cc2nnc(Cc3ccccc3)o2)cc1 CC(=O)N[*:1] O=[S@@](Cc1nnc(Cc2ccccc2)o1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc([S@@](=O)Cc2nnc(Cc3ccccc3)o2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)[S@@](=O)Cc1nnc(C[*:1])o1
CC(=O)Nc1ccc([S@@](=O)Cc2nnc(Cc3ccccc3)o2)cc1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)[S@@](=O)Cc1nnc(o1)[*:1]
Cn1cc([C@@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)cn1 Cn1cc(cn1)[*:1] O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1[*:1]
CC[NH2+][C@@H](c1cnn(C)c1)[C@](C)(CC)N1CCOCC1 C1CN(CCO1)[*:1] CC[NH2+][C@@H](c1cnn(C)c1)[C@](C)(CC)[*:1]
CC[NH2+][C@@H](c1cnn(C)c1)[C@](C)(CC)N1CCOCC1 Cn1cc(cn1)[*:1] CC[NH2+][C@@H]([C@](C)(CC)N1CCOCC1)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](c1ccccc1)c1nccn1C Cn1ccnc1[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](c1ccccc1)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](c1ccccc1)c1nccn1C O=C(N[*:1])c1ccccc1 C[C@@H](C(=O)N[C@@H](c1ccccc1)c1nccn1C)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](c1ccccc1)c1nccn1C c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](c1nccn1C)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](c1ccccc1)c1nccn1C c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N[C@@H](c1ccccc1)c1nccn1C
CCC[NH2+][C@@H](CO)CSc1ccncc1 CCC[*:1] OC[C@@H](CSc1ccncc1)[NH2+][*:1]
O=C(c1ccccc1)c1cc(Cl)ccc1N1C[C@H](C(=O)[O-])CC1=O c1ccc(cc1)[*:1] O=C([O-])[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1C(=O)[*:1]
O=C(c1ccccc1)c1cc(Cl)ccc1N1C[C@H](C(=O)[O-])CC1=O O=C(c1ccccc1)[*:1] O=C([O-])[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1[*:1]
O=C(c1ccccc1)c1cc(Cl)ccc1N1C[C@H](C(=O)[O-])CC1=O O=C([O-])[*:1] O=C(c1ccccc1)c1cc(Cl)ccc1N1C[C@H](CC1=O)[*:1]
Cn1cc(C#N)cc1C(=O)Nc1ccccc1OCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] Cn1cc(C#N)cc1C(=O)Nc1ccccc1O[*:1]
Cn1cc(C#N)cc1C(=O)Nc1ccccc1OCc1cccc(Cl)c1 Cn1cc(C#N)cc1[*:1] O=C(Nc1ccccc1OCc1cccc(Cl)c1)[*:1]
Cn1cc(C#N)cc1C(=O)Nc1ccccc1OCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cn1cc(C#N)cc1C(=O)Nc1ccccc1OC[*:1]
CCOC(=O)c1sc(Cc2ccc(OC)c(OC)c2)nc1C CCOC(=O)[*:1] COc1ccc(cc1OC)Cc1nc(C)c(s1)[*:1]
O=C([O-])c1cc(S(=O)(=O)C/C(Cl)=C/Cl)ccc1Cl Cl/C=C(\Cl)C[*:1] O=C([O-])c1cc(ccc1Cl)S(=O)(=O)[*:1]
O=C([O-])c1cc(S(=O)(=O)C/C(Cl)=C/Cl)ccc1Cl Cl/C=C(\Cl)[*:1] O=C([O-])c1cc(ccc1Cl)S(=O)(=O)C[*:1]
O=C([O-])c1cc(S(=O)(=O)C/C(Cl)=C/Cl)ccc1Cl O=C([O-])[*:1] O=S(=O)(C/C(Cl)=C/Cl)c1ccc(Cl)c(c1)[*:1]
C[C@@H]1CC=C2[C@H](C1)[C@@H](c1ccccc1Cl)[C@H](C#N)C(=N)C2(C#N)C#N Clc1ccccc1[*:1] C[C@@H]1CC=C2[C@H](C1)[C@@H]([C@H](C#N)C(=N)C2(C#N)C#N)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 C[C@H]1CCCC[C@@H]1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1cc(ncn1)-n1cccn1
C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 c1cnn(c1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C1)c1cc(ncn1)[*:1]
CC(C)C[NH+]1CCN(CCc2nc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] CC(C)C[NH+]1CCN(CCc2nc(no2)[*:1])CC1
CC(C)C[NH+]1CCN(CCc2nc(-c3ccccc3)no2)CC1 CC(C)C[*:1] c1ccc(cc1)-c1noc(CCN2CC[NH+](CC2)[*:1])n1
CC(C)C[NH+]1CCN(CCc2nc(-c3ccccc3)no2)CC1 CC(C)[*:1] c1ccc(cc1)-c1noc(CCN2CC[NH+](CC2)C[*:1])n1
COc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(Cl)cc5)nn4ccn23)c(OC)c1 Clc1ccc(cc1)[*:1] COc1ccc(NC(=O)CSc2nnc3c4cc(nn4ccn23)[*:1])c(c1)OC
COc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(Cl)cc5)nn4ccn23)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(CSc1nnc2c3cc(nn3ccn12)-c1ccc(Cl)cc1)N[*:1]
COc1ccc(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C2)[*:1])c(c1)OC
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Oc3ccccc3CC)cnc21 CCc1ccccc1[*:1] CCCn1c(=O)[nH]c(=O)c2cc(cnc21)C(=O)O[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Oc3ccccc3CC)cnc21 CCC[*:1] CCc1ccccc1OC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2[*:1]
O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 Brc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])NC[C@H]1C[C@@H]2C=C[C@H]1C2
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CCOC(=O)c1cnc(nc1N[*:1])-n1nc(C)cc1C
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(C)c(C)c1 Cc1cc(C)n(n1)[*:1] CCOC(=O)c1cnc(nc1Nc1ccc(C)c(C)c1)[*:1]
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(C)c(C)c1 Cc1ccc(cc1C)N[*:1] CCOC(=O)c1cnc(nc1[*:1])-n1nc(C)cc1C
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(C)c(C)c1 CCOC(=O)[*:1] Cc1cc(C)n(n1)-c1ncc(c(n1)Nc1ccc(C)c(C)c1)[*:1]
Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3c(F)cccc3F)C2)n1 Fc1cccc(F)c1[*:1] Cc1ncc(-c2ccc(F)cc2)c(n1)[C@H]1CCCN(C1)C[*:1]
Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3c(F)cccc3F)C2)n1 Fc1ccc(cc1)[*:1] Cc1ncc(c(n1)[C@H]1CCCN(Cc2c(F)cccc2F)C1)[*:1]
Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3c(F)cccc3F)C2)n1 Fc1cccc(F)c1C[*:1] Cc1ncc(-c2ccc(F)cc2)c(n1)[C@H]1CCCN(C1)[*:1]
COc1ccc([C@H](NC(=O)NCC(=O)NC2CC2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NC(=O)NCC(=O)NC1CC1)[*:1]
COc1ccc([C@H](NC(=O)NCC(=O)NC2CC2)C2CC2)cc1 O=C(NC1CC1)[*:1] COc1ccc(cc1)[C@H](NC(=O)NC[*:1])C1CC1
COc1ccc([C@H](NC(=O)NCC(=O)NC2CC2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NC(=O)NCC(=O)N[*:1])C1CC1
COc1ccc([C@H](NC(=O)NCC(=O)NC2CC2)C2CC2)cc1 O=C(C[*:1])NC1CC1 COc1ccc(cc1)[C@H](NC(=O)N[*:1])C1CC1
CC[C@@H](C(=O)N1CCN2C(=O)NC[C@@H]2C1)/C(N)=N/O N/C(=N\O)[*:1] CC[C@@H](C(=O)N1CCN2C(=O)NC[C@@H]2C1)[*:1]
Cc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)NC(=O)COC(=O)c1cc(ccc1Cl)[*:1]
Cc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 Cc1cccc(c1)[*:1] O=C(COC(=O)c1cc(ccc1Cl)[N+](=O)[O-])N[*:1]
Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc4c(c3)OCO4)c3cc(Cl)ccc32)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)CN1C(=O)[C@@](O)(CC(=O)[*:1])c2cc(Cl)ccc21
Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc4c(c3)OCO4)c3cc(Cl)ccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(C[C@]1(O)C(=O)N(c2ccc(Cl)cc21)[*:1])c1ccc2OCOc2c1
Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc4c(c3)OCO4)c3cc(Cl)ccc32)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@]1(O)C(=O)N(C[*:1])c2ccc(Cl)cc21)c1ccc2OCOc2c1
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2cc[nH+]cc2)CC1 Clc1ccc(c(Cl)c1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)c1cc[nH+]cc1
CCN(CC)C(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccc(F)cc3)c2=O)CC1 Fc1ccc(cc1)C[*:1] CCN(CC)C(=O)C1CCC(CC1)Cn1c(=O)c2sccc2n(c1=O)[*:1]
CCN(CC)C(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccc(F)cc3)c2=O)CC1 CCN(CC)C(=O)[*:1] O=c1c2sccc2n(Cc2ccc(F)cc2)c(=O)n1CC1CCC(CC1)[*:1]
CCN(CC)C(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccc(F)cc3)c2=O)CC1 Fc1ccc(cc1)[*:1] CCN(CC)C(=O)C1CCC(CC1)Cn1c(=O)c2sccc2n(C[*:1])c1=O
C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 C[C@@H]1C[C@@H]1NC(=O)N[*:1] CN1CCC/C1=N/S(=O)(=O)c1ccc(cc1)[*:1]
COc1cc(F)cc(CNC(=O)NNC(=O)c2cn(C)c3ccccc23)c1 COc1cc(F)cc(c1)[*:1] Cn1cc(C(=O)NNC(=O)NC[*:1])c2ccccc21
CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 Fc1ccccc1O[*:1] CC[C@@H](C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 Fc1ccccc1[*:1] CC[C@@H](O[*:1])C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
C=CCOc1c(CN2CCN(C(=O)CC)CC2)c(C)nn1C C=CC[*:1] CCC(=O)N1CCN(CC1)Cc1c(C)nn(C)c1O[*:1]
C=CCOc1c(CN2CCN(C(=O)CC)CC2)c(C)nn1C C=CCO[*:1] CCC(=O)N1CCN(CC1)Cc1c(C)nn(C)c1[*:1]
CC(C)COC1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 CC(C)CO[*:1] O=C(Nc1cccc(c1)SC(F)F)N1CCC(CC1)[*:1]
CC(C)COC1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 FC(F)S[*:1] CC(C)COC1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
CC(C)COC1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 CC(C)[*:1] O=C(Nc1cccc(c1)SC(F)F)N1CCC(CC1)OC[*:1]
CC(C)COC1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 FC(F)[*:1] CC(C)COC1CCN(CC1)C(=O)Nc1cccc(c1)S[*:1]
CC(C)COC1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 CC(C)C[*:1] O=C(Nc1cccc(c1)SC(F)F)N1CCC(CC1)O[*:1]
Cc1ccc(N2CC[C@@H](Sc3nnc(C4CC4)s3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1[C@@H](CCN1[*:1])Sc1nnc(s1)C1CC1
Cc1ccc(N2CC[C@@H](Sc3nnc(C4CC4)s3)C2=O)cc1 C1CC1[*:1] Cc1ccc(cc1)N1CC[C@@H](Sc2nnc(s2)[*:1])C1=O
CCOc1cc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)ccc1C CCO[*:1] Cc1cc2nc(C)c(CCC(=O)Nc3ccc(C)c(c3)[*:1])c(C)n2n1
COc1cc([C@H]2C(C(N)=O)=C(C)Nc3nnnn32)ccc1OCc1c(F)cccc1Cl Fc1cccc(Cl)c1CO[*:1] COc1cc(ccc1[*:1])[C@H]1C(C(N)=O)=C(C)Nc2nnnn21
COc1cc([C@H]2C(C(N)=O)=C(C)Nc3nnnn32)ccc1OCc1c(F)cccc1Cl NC(=O)[*:1] COc1cc(ccc1OCc1c(F)cccc1Cl)[C@H]1C(=C(C)Nc2nnnn21)[*:1]
COc1cc([C@H]2C(C(N)=O)=C(C)Nc3nnnn32)ccc1OCc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] COc1cc(ccc1OC[*:1])[C@H]1C(C(N)=O)=C(C)Nc2nnnn21
COc1cc([C@H]2C(C(N)=O)=C(C)Nc3nnnn32)ccc1OCc1c(F)cccc1Cl Fc1cccc(Cl)c1C[*:1] COc1cc(ccc1O[*:1])[C@H]1C(C(N)=O)=C(C)Nc2nnnn21
CCc1c(OC(C)=O)cc(C(F)(F)F)cc1C(F)(F)F FC(F)(F)[*:1] CCc1c(cc(cc1C(F)(F)F)[*:1])OC(C)=O
CCc1c(OC(C)=O)cc(C(F)(F)F)cc1C(F)(F)F FC(F)(F)[*:1] CCc1c(cc(cc1[*:1])C(F)(F)F)OC(C)=O
CCc1c(OC(C)=O)cc(C(F)(F)F)cc1C(F)(F)F CC(=O)O[*:1] CCc1c(cc(cc1[*:1])C(F)(F)F)C(F)(F)F
O=C(c1nc2sccn2c1C[NH2+]C(c1ccccc1)c1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] O=C(c1nc2sccn2c1C[NH2+]C(c1ccccc1)[*:1])N1CCCC1
O=C(c1nc2sccn2c1C[NH2+]C(c1ccccc1)c1ccccc1)N1CCCC1 O=C(N1CCCC1)[*:1] c1ccc(cc1)C([NH2+]Cc1c(nc2sccn12)[*:1])c1ccccc1
CC(C)OC(=O)c1ccc(Br)c(Cl)c1 CC(C)[*:1] O=C(O[*:1])c1ccc(Br)c(Cl)c1
CC1(C)[C@@H](Nc2ccc(C(N)=O)nn2)[C@@]2(C)CC[C@@H]1C2 NC(=O)[*:1] CC1(C)[C@@H](Nc2ccc(nn2)[*:1])[C@@]2(C)CC[C@@H]1C2
COc1ccc(-c2nc(C(=O)OCC(=O)NC(C)C)cs2)cc1 CC(C)NC(=O)[*:1] COc1ccc(cc1)-c1nc(cs1)C(=O)OC[*:1]
COc1ccc(-c2nc(C(=O)OCC(=O)NC(C)C)cs2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nc(cs1)C(=O)OCC(=O)N[*:1]
COc1ccc(-c2nc(C(=O)OCC(=O)NC(C)C)cs2)cc1 CC(C)NC(=O)C[*:1] COc1ccc(cc1)-c1nc(cs1)C(=O)O[*:1]
O=C(c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 Clc1ccc(cc1)[*:1] O=C(c1ccc(C[S@](=O)[*:1])o1)N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1)N1CCN(CC1)C[*:1]
O=C(c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] O=C(c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1)N1CCN(CC1)[*:1]
O=C(OCc1ccc(F)cc1)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(OCc1ccc(F)cc1)c1cn(nn1)[*:1]
O=C(OCc1ccc(F)cc1)c1cn(-c2ccccc2)nn1 Fc1ccc(cc1)[*:1] O=C(OC[*:1])c1cn(nn1)-c1ccccc1
C=CCO[C@H](C)C(=O)N1CCC[C@H]1c1ccccc1OC C=CC[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](C)O[*:1]
C=CCO[C@H](C)C(=O)N1CCC[C@H]1c1ccccc1OC C=CCO[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](C)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2ccc(OCC)cc2)C1 CCO[*:1] CCOc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2ccc(OCC)cc2)C1 CCOC[*:1] CCOc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2ccc(OCC)cc2)C1 CCO[*:1] CCOC[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN(CCC(=O)NC)C2=O FC(F)(F)c1ccccc1[*:1] C=CCN1C(=O)N[C@@H](C2C(=O)N(CCC(=O)NC)CC=21)[*:1]
C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN(CCC(=O)NC)C2=O CNC(=O)[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CC[*:1])CC=21)c1ccccc1C(F)(F)F
C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN(CCC(=O)NC)C2=O CNC(=O)C[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CC=21)C[*:1])c1ccccc1C(F)(F)F
C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN(CCC(=O)NC)C2=O CNC(=O)CC[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CC=21)[*:1])c1ccccc1C(F)(F)F
C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN(CCC(=O)NC)C2=O C=CC[*:1] CNC(=O)CCN1CC2=C(C1=O)[C@@H](NC(=O)N2[*:1])c1ccccc1C(F)(F)F
C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN(CCC(=O)NC)C2=O FC(F)(F)[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CCC(=O)NC)CC=21)c1ccccc1[*:1]
CN(C)c1ncc2c(n1)CN(C[C@H]1CCCO1)C2=O CN(C)[*:1] O=C1c2cnc(nc2CN1C[C@H]1CCCO1)[*:1]
CN(C)c1ncc2c(n1)CN(C[C@H]1CCCO1)C2=O C1CO[C@H](C1)C[*:1] CN(C)c1ncc2C(=O)N(Cc2n1)[*:1]
CN(C)c1ncc2c(n1)CN(C[C@H]1CCCO1)C2=O C1CO[C@H](C1)[*:1] CN(C)c1ncc2C(=O)N(Cc2n1)C[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)c(Br)c1 C1CO[C@H](C1)[*:1] Cc1ccc(NC(=O)C(=O)NC[*:1])c(Br)c1
Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)c(Br)c1 C1CO[C@H](C1)C[*:1] Cc1ccc(NC(=O)C(=O)N[*:1])c(Br)c1
NC(=O)c1ccc(N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)nc1 NC(=O)[*:1] O=C(CC[C@H]1CCCN(C1)c1ccc(cn1)[*:1])NCc1ccccc1F
NC(=O)c1ccc(N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)nc1 Fc1ccccc1[*:1] NC(=O)c1ccc(nc1)N1CCC[C@H](CCC(=O)NC[*:1])C1
NC(=O)c1ccc(N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)nc1 Fc1ccccc1C[*:1] NC(=O)c1ccc(nc1)N1CCC[C@H](CCC(=O)N[*:1])C1
NC(=O)c1ccc(N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)nc1 NC(=O)c1ccc(nc1)[*:1] O=C(CC[C@H]1CCCN(C1)[*:1])NCc1ccccc1F
O=C(Nc1ccc(F)cc1OCC(F)F)C(=O)N1CCC[C@@H](CO)C1 FC(F)[*:1] O=C(Nc1ccc(F)cc1OC[*:1])C(=O)N1CCC[C@@H](CO)C1
O=C(Nc1ccc(F)cc1OCC(F)F)C(=O)N1CCC[C@@H](CO)C1 FC(F)C[*:1] O=C(Nc1ccc(F)cc1O[*:1])C(=O)N1CCC[C@@H](CO)C1
O=C(Nc1ccc(F)cc1OCC(F)F)C(=O)N1CCC[C@@H](CO)C1 FC(F)CO[*:1] O=C(Nc1ccc(F)cc1[*:1])C(=O)N1CCC[C@@H](CO)C1
CCC1(c2[nH+]n(C)c(N)c2-c2ccccc2)CCCC1 c1ccc(cc1)[*:1] CCC1(CCCC1)c1[nH+]n(C)c(N)c1[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 CS(=O)(=O)N[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)C[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 CS(=O)(=O)NC[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
CC/C(C)=N/N=C1/NC(=O)[C@H](CC(=O)[O-])S1 O=C([O-])C[*:1] CC/C(C)=N/N=C1/NC(=O)[C@H](S1)[*:1]
CC/C(C)=N/N=C1/NC(=O)[C@H](CC(=O)[O-])S1 O=C([O-])[*:1] CC/C(C)=N/N=C1/NC(=O)[C@H](C[*:1])S1
C[C@@H](C(=O)Nc1cccc(-c2ccccc2)c1)[C@H]1Sc2ccccc2NC1=O c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])[C@H]1Sc2ccccc2NC1=O
CC[C@H](CCO)NC(=O)N[C@@H](C)c1cccc(Cl)c1 OCC[*:1] CC[C@H](NC(=O)N[C@@H](C)c1cccc(Cl)c1)[*:1]
CC[C@H](CCO)NC(=O)N[C@@H](C)c1cccc(Cl)c1 CC[C@H](CCO)[*:1] C[C@H](NC(=O)N[*:1])c1cccc(Cl)c1
Cc1ccc2[nH]cc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2c1 O=[N+]([O-])[*:1] Cc1ccc2[nH]cc(CCNS(=O)(=O)c3cccc(c3)[*:1])c2c1
Cc1ccccc1-n1nc(-c2cccnc2)c2c3c(cnc21)C(=O)N(C)C3=O c1cncc(c1)[*:1] Cc1ccccc1-n1nc(c2c3C(=O)N(C)C(=O)c3cnc21)[*:1]
Cc1ccccc1-n1nc(-c2cccnc2)c2c3c(cnc21)C(=O)N(C)C3=O Cc1ccccc1[*:1] CN1C(=O)c2cnc3c(c(nn3[*:1])-c3cccnc3)c2C1=O
COc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)c(OC)c1 Fc1ccc(cc1)[*:1] COc1ccc(CNC(=O)N2CCC[C@@H]2[*:1])c(c1)OC
O=C([O-])c1ccc([C@H]2CCCN(C(=O)Cc3csc4[n+]3CCCN4)C2)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C(Cc1csc2NCCC[n+]12)N1CCC[C@@H](C1)[*:1]
O=C([O-])c1ccc([C@H]2CCCN(C(=O)Cc3csc4[n+]3CCCN4)C2)cc1 O=C([O-])[*:1] O=C(Cc1csc2NCCC[n+]12)N1CCC[C@@H](C1)c1ccc(cc1)[*:1]
CC[C@@H]([NH2+][C@H](C)[C@@H](C)O)c1cccs1 C[C@@H](O)[*:1] CC[C@@H]([NH2+][C@H](C)[*:1])c1cccs1
Cc1noc(C)c1CN(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)C[*:1] Cc1noc(C)c1CN(CC(C)C)c1c(N)n(c(=O)[nH]c1=O)[*:1]
Cc1noc(C)c1CN(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)[*:1] Cc1noc(C)c1CN(CC(C)C)c1c(N)n(C[*:1])c(=O)[nH]c1=O
Cc1noc(C)c1CN(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O Cc1noc(C)c1[*:1] CC(C)CN(C[*:1])c1c(N)n(CC(C)C)c(=O)[nH]c1=O
Cc1noc(C)c1CN(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)[*:1] Cc1noc(C)c1CN(C[*:1])c1c(N)n(CC(C)C)c(=O)[nH]c1=O
Cc1noc(C)c1CN(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)C[*:1] Cc1noc(C)c1CN(c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[*:1]
Cc1noc(C)c1CN(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O Cc1noc(C)c1C[*:1] CC(C)CN(c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[*:1]
O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)Nc1ccccn1 FC(F)O[*:1] O=C(/C=C/c1ccc(cc1[*:1])OC(F)F)Nc1ccccn1
O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)Nc1ccccn1 FC(F)[*:1] O=C(/C=C/c1ccc(cc1O[*:1])OC(F)F)Nc1ccccn1
O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)Nc1ccccn1 FC(F)[*:1] O=C(/C=C/c1ccc(cc1OC(F)F)O[*:1])Nc1ccccn1
O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(/C=C/c1ccc(cc1OC(F)F)OC(F)F)N[*:1]
O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)Nc1ccccn1 FC(F)O[*:1] O=C(/C=C/c1ccc(cc1OC(F)F)[*:1])Nc1ccccn1
Cc1ccccc1COc1ccc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 Cc1ccccc1[*:1] Cc1n[nH]c2NC(=O)[C@@H](C)S[C@H](c3ccc(cc3)OC[*:1])c12
Cc1ccccc1COc1ccc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 Cc1ccccc1C[*:1] Cc1n[nH]c2NC(=O)[C@@H](C)S[C@H](c3ccc(cc3)O[*:1])c12
Cc1ccccc1COc1ccc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 Cc1ccccc1CO[*:1] Cc1n[nH]c2NC(=O)[C@@H](C)S[C@H](c3ccc(cc3)[*:1])c12
CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cc1 CCO[*:1] COC(=O)c1c(NC(=O)Cc2ccc(cc2)[*:1])sc2C[C@@H](C)CCc21
CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cc1 COC(=O)[*:1] CCOc1ccc(cc1)CC(=O)Nc1sc2C[C@@H](C)CCc2c1[*:1]
CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cc1 CCOc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)C[*:1])sc2C[C@@H](C)CCc21
COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(Cl)cc1 COC(=O)[*:1] COC(=O)c1c(C)nc(C)c(c1-c1ccc(Cl)cc1)[*:1]
COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)c1c(C)nc(C)c(C(=O)OC)c1[*:1]
CCCc1nc(CSc2nc3ncc(Br)cc3[n-]2)no1 CCC[*:1] Brc1cnc2nc([n-]c2c1)SCc1noc(n1)[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)CSC)C1 CSC[*:1] CCNC(=O)[C@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)CSC)C1 CCNC(=O)[*:1] CSC[C@H](C)NC(=O)N1CCC[C@@H](C1)[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)CSC)C1 CSC[C@H](C)[*:1] CCNC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1c(NCc2cnn(C)c2)cccc1C(N)=O Cn1cc(cn1)[*:1] Cc1c(cccc1C(N)=O)NC[*:1]
Cc1c(NCc2cnn(C)c2)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NCc1cnn(C)c1
CCCOc1cc(/C=C(\C#N)c2ccccn2)ccc1OC c1ccc(nc1)[*:1] CCCOc1cc(/C=C(\C#N)[*:1])ccc1OC
CCCOc1cc(/C=C(\C#N)c2ccccn2)ccc1OC CCCO[*:1] COc1ccc(/C=C(\C#N)c2ccccn2)cc1[*:1]
CCCOc1cc(/C=C(\C#N)c2ccccn2)ccc1OC CCC[*:1] COc1ccc(/C=C(\C#N)c2ccccn2)cc1O[*:1]
CC[C@H](CSC)N(C)C(=O)c1cc(-c2ccc(C)cc2)no1 Cc1ccc(cc1)[*:1] CC[C@H](CSC)N(C)C(=O)c1cc(no1)[*:1]
CC[C@H](CSC)N(C)C(=O)c1cc(-c2ccc(C)cc2)no1 CSC[*:1] CC[C@H](N(C)C(=O)c1cc(no1)-c1ccc(C)cc1)[*:1]
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H](C)S(=O)(=O)C(C)C)C2)cc1 CC(C)S(=O)(=O)[C@H](C)[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](C)N(C1)C(=O)[*:1]
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H](C)S(=O)(=O)C(C)C)C2)cc1 COc1ccc(cc1)[*:1] CC(C)S(=O)(=O)[C@H](C)C(=O)N1C[C@@H](C[C@H]1C)[*:1]
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H](C)S(=O)(=O)C(C)C)C2)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](C)N(C1)C(=O)[C@@H](C)S(=O)(=O)[*:1]
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H](C)S(=O)(=O)C(C)C)C2)cc1 CC(C)S(=O)(=O)[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](C)N(C1)C(=O)[C@@H](C)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2cccc(OC)c2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2cccc(OC)c2)c1 c1coc(c1)C[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(c1)OC)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2cccc(OC)c2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccco1
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2cccc(OC)c2)c1 c1coc(c1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(c1)OC
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2cccc(OC)c2)c1 COc1cccc(c1)C(=O)[*:1] COc1cccc(c1)[C@H]1C(=C([O-])C(=O)N1Cc1ccco1)[*:1]
CCCn1cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cn1 CCC[*:1] O=C(Nc1cnn(c1)[*:1])c1ccc(cc1)CN1CCCC1=O
CCCn1cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cn1 O=C1CCCN1C[*:1] CCCn1cc(cn1)NC(=O)c1ccc(cc1)[*:1]
CCCn1cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cn1 CCCn1cc(cn1)[*:1] O=C(N[*:1])c1ccc(cc1)CN1CCCC1=O
CCCn1cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cn1 O=C1CCCN1[*:1] CCCn1cc(cn1)NC(=O)c1ccc(cc1)C[*:1]
O=C(Nc1cnn(CC(F)F)c1)C1(c2cccc(C(F)(F)F)c2)CC1 FC(F)[*:1] O=C(Nc1cnn(c1)C[*:1])C1(CC1)c1cccc(c1)C(F)(F)F
O=C(Nc1cnn(CC(F)F)c1)C1(c2cccc(C(F)(F)F)c2)CC1 FC(F)C[*:1] O=C(Nc1cnn(c1)[*:1])C1(CC1)c1cccc(c1)C(F)(F)F
O=C(Nc1cnn(CC(F)F)c1)C1(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(Nc1cnn(c1)CC(F)F)C1(CC1)c1cccc(c1)[*:1]
CC1=NC(=O)[C@@](NC(=O)c2ccco2)(C(F)(F)F)[C@H]1C#N FC(F)(F)[*:1] CC1=NC(=O)[C@@](NC(=O)c2ccco2)([C@H]1C#N)[*:1]
CC1=NC(=O)[C@@](NC(=O)c2ccco2)(C(F)(F)F)[C@H]1C#N c1coc(c1)[*:1] CC1=NC(=O)[C@](NC(=O)[*:1])([C@H]1C#N)C(F)(F)F
COC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(OC)cc1 COC(=O)N[*:1] COc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc21)[*:1]
COC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)s1 Cc1nc(C)c(s1)[*:1] Cn1c(nc2ccccc21)-c1ccc(cc1)NC(=O)[*:1]
CC[C@H]1CN(C(=O)CCCc2nc(C)no2)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@H]1[*:1])C(=O)CCCc1nc(C)no1
CC[C@H]1CN(C(=O)CCCc2nc(C)no2)CC[C@@H]1c1ccccc1 Cc1noc(C[*:1])n1 CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)CC[*:1]
CC[C@H]1CN(C(=O)CCCc2nc(C)no2)CC[C@@H]1c1ccccc1 Cc1noc(n1)[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)CCC[*:1]
CC[C@H]1CN(C(=O)CCCc2nc(C)no2)CC[C@@H]1c1ccccc1 Cc1noc(CC[*:1])n1 CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)C[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 O=[N+]([O-])[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1cccc(c1C)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 COC(=O)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N1CC[C@@](F)(C1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c1C Cn1ccnc1[*:1] CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](c2ccc(F)cc2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c1C Fc1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](c2nccn2C)[*:1])c1C
Cc1cc(C)n(-c2ccc(CNC(=O)CCn3cnc4sccc4c3=O)cn2)n1 Cc1cc(C)n(n1)[*:1] O=C(CCn1cnc2sccc2c1=O)NCc1ccc(nc1)[*:1]
C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N[C@H](C)c4ccc5c(c4)OCO5)c23)C1 C[C@H](c1ccc2OCOc2c1)[*:1] C[C@H]1CCc2c(C1)sc1nc(CN3CCOCC3)nc(N[*:1])c21
C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N[C@H](C)c4ccc5c(c4)OCO5)c23)C1 C1CN(CCO1)[*:1] C[C@H]1CCc2c(C1)sc1nc(C[*:1])nc(N[C@H](C)c3ccc4OCOc4c3)c21
C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N[C@H](C)c4ccc5c(c4)OCO5)c23)C1 c1cc2OCOc2cc1[*:1] C[C@H]1CCc2c(C1)sc1nc(CN3CCOCC3)nc(N[C@H](C)[*:1])c21
C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N[C@H](C)c4ccc5c(c4)OCO5)c23)C1 C1CN(CCO1)C[*:1] C[C@H]1CCc2c(C1)sc1nc(nc(N[C@H](C)c3ccc4OCOc4c3)c21)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CCC(CC1)c1ccccc1)[*:1]
CC(C)Sc1nc2sccc2c(=O)n1-c1ccccc1 CC(C)[*:1] O=c1c2ccsc2nc(S[*:1])n1-c1ccccc1
CC(C)Sc1nc2sccc2c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)Sc1nc2sccc2c(=O)n1[*:1]
CC(C)Sc1nc2sccc2c(=O)n1-c1ccccc1 CC(C)S[*:1] O=c1c2ccsc2nc(n1-c1ccccc1)[*:1]
CC(C)[C@H]1CN(c2cc(C#N)c3ccccc3n2)CCS1 CC(C)[*:1] N#Cc1cc(nc2ccccc12)N1CCS[C@H](C1)[*:1]
CCn1ccnc(NCCc2csc(C(C)(C)C)n2)c1=O CC(C)(C)[*:1] CCn1ccnc(NCCc2csc(n2)[*:1])c1=O
O=C(NCC[C@H](O)c1cccc2ccccc12)C1(c2cccs2)CC1 c1csc(c1)C1(CC1)[*:1] O=C(NCC[C@H](O)c1cccc2ccccc12)[*:1]
O=C(NCC[C@H](O)c1cccc2ccccc12)C1(c2cccs2)CC1 c1csc(c1)[*:1] O=C(NCC[C@H](O)c1cccc2ccccc12)C1(CC1)[*:1]
Cc1cscc1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] Cc1cscc1C(=O)c1c[nH]c2ccc(cc12)[*:1]
Cc1cscc1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 Cc1cscc1[*:1] O=C(c1c[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 C1CN(CCO1)[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccc([nH+]c1)[*:1]
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 Cc1cc(Cl)ccc1[*:1] C[C@H](O[*:1])C(=O)NCc1ccc([nH+]c1)N1CCOCC1
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 Cc1cc(Cl)ccc1O[*:1] C[C@@H](C(=O)NCc1ccc([nH+]c1)N1CCOCC1)[*:1]
CCc1noc(C)c1C(=O)N1CCC[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C1 CCc1noc(C)c1[*:1] O=C(N1CCC[C@H](C1)C1=NS(=O)(=O)c2ccccc2N1)[*:1]
C=CCNC(=O)NC[C@H](C)CC1(C)OCCO1 C=CC[*:1] C[C@@H](CNC(=O)N[*:1])CC1(C)OCCO1
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)N(C)[C@@H](C)c1cccnc1 c1cncc(c1)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)N(C)[C@@H](C)[*:1]
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)N(C)[C@@H](C)c1cccnc1 C[C@@H](c1cccnc1)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)N(C)[*:1]
Cc1ccc(C(=O)N2CCN(C[C@H](O)c3ccc(F)c(F)c3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N1CCN(CC1)C[C@H](O)c1ccc(F)c(F)c1)[*:1]
Cc1ccc(C(=O)N2CCN(C[C@H](O)c3ccc(F)c(F)c3)CC2)cc1 Fc1ccc(cc1F)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C[C@H](O)[*:1]
CC(C)[C@H]1C[S@](=O)[C@@H](C)CC[NH2+]1 CC(C)[*:1] C[C@H]1CC[NH2+][C@H](C[S@@]1=O)[*:1]
O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(N2CCNC2=O)CC1 O=C1NCCN1[*:1] O=C(c1n[nH]c2ccc(cc12)[N+](=O)[O-])N1CCC(CC1)[*:1]
O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(N2CCNC2=O)CC1 O=[N+]([O-])[*:1] O=C(c1n[nH]c2ccc(cc12)[*:1])N1CCC(CC1)N1CCNC1=O
COC1CCN(c2nc(C(C)C)c(C=O)s2)CC1 CC(C)[*:1] COC1CCN(CC1)c1nc(c(C=O)s1)[*:1]
COC(=O)C1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1 COC(=O)[*:1] O=C(COc1ccccc1-c1ccccc1)N1CCC(CC1)[*:1]
COC(=O)C1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)COc1ccccc1[*:1]
CC(C)CSCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 CC(C)CS[*:1] O=C(C[*:1])N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
CC(C)CSCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 CC(C)CSC[*:1] O=C(N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)[*:1]
CC(C)CSCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CC(C)CSCC(=O)N(C1CCCC1)[*:1]
CC(C)CSCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=C(CSC[*:1])N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
CC(C)CSCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 CC(C)C[*:1] O=C(CS[*:1])N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
CC(C)CSCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] CC(C)CSCC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
C[C@](O)(CNC(=O)c1n[nH]c2ccccc12)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNC(=O)c1n[nH]c2ccccc12)[*:1]
COc1ccc(-c2cc(C(=O)NC[C@@H](C)n3cc[nH+]c3)n[nH]2)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1cc([nH]n1)[*:1])n1cc[nH+]c1
O=C(Nc1ccccn1)[C@H](Cc1ccccc1)n1cnnn1 c1ccc(nc1)[*:1] O=C(N[*:1])[C@H](Cc1ccccc1)n1cnnn1
O=C(Nc1ccccn1)[C@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)[*:1] O=C(Nc1ccccn1)[C@H](C[*:1])n1cnnn1
O=C(Nc1ccccn1)[C@H](Cc1ccccc1)n1cnnn1 c1nnnn1[*:1] O=C(Nc1ccccn1)[C@H](Cc1ccccc1)[*:1]
O=C(Nc1ccccn1)[C@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)C[*:1] O=C(Nc1ccccn1)[C@H](n1cnnn1)[*:1]
Cc1nnsc1Sc1ccccc1C(=O)[O-] O=C([O-])[*:1] Cc1nnsc1Sc1ccccc1[*:1]
CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 c1ccc(cc1)C[*:1] CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1c(C)noc1C)[*:1]
CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)C1CCN(CC1)S(=O)(=O)c1c(C)noc1C
COc1cc(C)c(CN[C@H](c2ccc(F)cc2)c2cccs2)cc1OC c1csc(c1)[*:1] COc1cc(C)c(cc1OC)CN[C@H](c1ccc(F)cc1)[*:1]
COc1cc(C)c(CN[C@H](c2ccc(F)cc2)c2cccs2)cc1OC Fc1ccc(cc1)[*:1] COc1cc(C)c(cc1OC)CN[C@H](c1cccs1)[*:1]
Cc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(NC(=O)C(C)C)cc1 Cc1ccc(F)cc1[*:1] CC(C)C(=O)Nc1ccc(cc1)O[C@@H](C)C(=O)N[*:1]
Cc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] Cc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
Cc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] Cc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(cc1)NC(=O)[*:1]
COC(=O)c1c(C)cc(C)cc1C COC(=O)[*:1] Cc1cc(C)c(c(C)c1)[*:1]
COc1cccc(-c2ccc(C#N)c(SCC(=O)[O-])n2)c1 O=C([O-])C[*:1] COc1cccc(c1)-c1ccc(C#N)c(n1)S[*:1]
COc1cccc(-c2ccc(C#N)c(SCC(=O)[O-])n2)c1 O=C([O-])[*:1] COc1cccc(c1)-c1ccc(C#N)c(n1)SC[*:1]
COc1cccc(-c2ccc(C#N)c(SCC(=O)[O-])n2)c1 O=C([O-])CS[*:1] COc1cccc(c1)-c1ccc(C#N)c(n1)[*:1]
CCC[NH+](Cc1ccccc1)Cc1cc(Cl)ccc1N c1ccc(cc1)[*:1] CCC[NH+](Cc1cc(Cl)ccc1N)C[*:1]
CCC[NH+](Cc1ccccc1)Cc1cc(Cl)ccc1N CCC[*:1] Nc1ccc(Cl)cc1C[NH+](Cc1ccccc1)[*:1]
CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc4c(OC)n(C)nc4c3)nc21 CCOC(=O)[*:1] COc1c2ccc(cc2nn1C)C(=O)Nc1nc2c(CC[C@H]2[*:1])s1
CN(C)c1ncc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)s1 CN(C)[*:1] OC1CC[NH+](CC1)Cc1cccc(c1)NCc1cnc(s1)[*:1]
CN(C)c1ncc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)s1 CN(C)c1ncc(s1)[*:1] OC1CC[NH+](CC1)Cc1cccc(c1)NC[*:1]
CCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)NCC1CCN(CC1)C(=O)c1cccnc1
CCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc1C c1cncc(c1)[*:1] CCOc1ccc(cc1C)S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
CN/N=C/c1c(C)nn(Cc2ccccc2)c1C c1ccc(cc1)[*:1] CN/N=C/c1c(C)nn(C[*:1])c1C
CN/N=C/c1c(C)nn(Cc2ccccc2)c1C CNN=C[*:1] Cc1nn(Cc2ccccc2)c(C)c1[*:1]
C[C@@H]1CN(c2cc(CNc3ccc([N+](=O)[O-])cc3)cc[nH+]2)CCO1 O=[N+]([O-])[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNc1ccc(cc1)[*:1]
CN(C)c1ccc(/C=N/[N-]S(C)(=O)=O)cc1[N+](=O)[O-] CN(C)[*:1] CS(=O)(=O)[N-]/N=C/c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN(C)c1ccc(/C=N/[N-]S(C)(=O)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C)c1ccc(/C=N/[N-]S(C)(=O)=O)cc1[*:1]
COc1ccc(NC(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1OC COc1ccc(cc1OC)[*:1] O=C(Nc1ccc(cc1)OCC(=O)N1CCOCC1)N[*:1]
COc1ccc(NC(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1OC O=C(C[*:1])N1CCOCC1 COc1ccc(cc1OC)NC(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(NC(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1OC O=C(N1CCOCC1)[*:1] COc1ccc(cc1OC)NC(=O)Nc1ccc(cc1)OC[*:1]
COc1ccc(NC(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1OC O=C(CO[*:1])N1CCOCC1 COc1ccc(cc1OC)NC(=O)Nc1ccc(cc1)[*:1]
CCCn1c(C[C@@H]([NH3+])c2ccn(C)n2)nc2ccccc21 CCC[*:1] Cn1ccc(n1)[C@H]([NH3+])Cc1nc2ccccc2n1[*:1]
CCCn1c(C[C@@H]([NH3+])c2ccn(C)n2)nc2ccccc21 Cn1ccc(n1)[*:1] CCCn1c(C[C@@H]([NH3+])[*:1])nc2ccccc21
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 O=C([O-])[*:1] O=C([C@@H]1[C@H]([C@H]2CC[C@@H]1C2)[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCN(CC1)[*:1]
C[C@H]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)C[C@@H]1O Fc1ccc(cc1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)N[C@@H]([C@@H]1CCCO1)[*:1]
C[C@H]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)C[C@@H]1O C1CO[C@@H](C1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CN1CCC[C@@]2(CCN(C(=O)c3cnc(Nc4ccccc4)nc3)C2)C1=O c1ccc(cc1)N[*:1] CN1CCC[C@@]2(CCN(C2)C(=O)c2cnc(nc2)[*:1])C1=O
CN1CCC[C@@]2(CCN(C(=O)c3cnc(Nc4ccccc4)nc3)C2)C1=O c1ccc(cc1)[*:1] CN1CCC[C@@]2(CCN(C2)C(=O)c2cnc(nc2)N[*:1])C1=O
FC(F)(F)c1cc(-c2ccc(Cl)nn2)cc(C(F)(F)F)c1 FC(F)(F)[*:1] FC(F)(F)c1cc(cc(c1)[*:1])-c1ccc(Cl)nn1
FC(F)(F)c1cc(-c2ccc(Cl)nn2)cc(C(F)(F)F)c1 Clc1ccc(nn1)[*:1] FC(F)(F)c1cc(cc(c1)[*:1])C(F)(F)F
Cc1c([C@@H]2CCCN2C(=O)c2ccc(Br)cc2O)cnn1C Cc1c(cnn1C)[*:1] O=C(c1ccc(Br)cc1O)N1CCC[C@H]1[*:1]
O=C1C(=O)N(C2CCCC2)C(=O)N1CN1CCCc2cc(F)cc(F)c21 C1CCC(C1)[*:1] O=C1C(=O)N(C(=O)N1CN1CCCc2cc(F)cc(F)c21)[*:1]
O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1[*:1]
O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1c2n[nH]c(c2[C@@H](c2cccc(F)c2)N1c1ccccc1)[*:1]
O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1c1ccccc1 Fc1cccc(c1)[*:1] O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](N1c1ccccc1)[*:1]
CSc1ccc(OC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)cc1 C(=C[*:1])c1ccccc1 CSc1ccc(cc1)OC(=O)[C@@H](C)NC(=O)[*:1]
CSc1ccc(OC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)OC(=O)[C@@H](C)NC(=O)C=C[*:1]
CSc1ccc(OC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)cc1 CSc1ccc(cc1)[*:1] C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)O[*:1]
O=C1NC2(CCN(C(=O)Nc3ccccc3F)CC2)N=C1c1cccc(F)c1 Fc1ccccc1[*:1] O=C1NC2(CCN(CC2)C(=O)N[*:1])N=C1c1cccc(F)c1
O=C1NC2(CCN(C(=O)Nc3ccccc3F)CC2)N=C1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C1NC2(CCN(CC2)C(=O)Nc2ccccc2F)N=C1[*:1]
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCCC4)c(Cl)c3N2)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)[C@@H]1C[C@H](n2nc(c(Cl)c2N1)[*:1])C(F)(F)F
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCCC4)c(Cl)c3N2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H]1C[C@@H](n2nc(C(=O)N3CCCCC3)c(Cl)c2N1)[*:1]
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCCC4)c(Cl)c3N2)cc1 Cc1ccc(cc1)[*:1] O=C(c1nn2c(N[C@@H](C[C@H]2C(F)(F)F)[*:1])c1Cl)N1CCCCC1
COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1cc(C)ccc1OC COc1ccc(C)cc1[*:1] COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)[*:1]
COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1cc(C)ccc1OC COC(=O)[*:1] COc1ccc(C)cc1S(=O)(=O)Nc1c([nH]c2ccc(C)cc12)[*:1]
Cc1cnn(CCC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)c1 Cc1cnn(c1)[*:1] C[C@@H](NC(=O)CC[*:1])C(c1ccccc1)c1ccccc1
Cc1cnn(CCC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cnn(c1)CCC(=O)N[C@H](C)C(c1ccccc1)[*:1]
Cc1cnn(CCC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)c1 Cc1cnn(c1)C[*:1] C[C@@H](NC(=O)C[*:1])C(c1ccccc1)c1ccccc1
Cc1cnn(CCC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)c1 Cc1cnn(c1)CC[*:1] C[C@@H](NC(=O)[*:1])C(c1ccccc1)c1ccccc1
Cc1nc(C(F)(F)F)ccc1C(=O)OCc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] Cc1nc(ccc1C(=O)OCc1ccc(nc1)[*:1])C(F)(F)F
Cc1nc(C(F)(F)F)ccc1C(=O)OCc1ccc(-n2ccnc2)nc1 FC(F)(F)[*:1] Cc1nc(ccc1C(=O)OCc1ccc(nc1)-n1ccnc1)[*:1]
C[C@H](CCc1ccco1)NC(=O)Nc1cn(C)c(=O)c2ccccc12 c1coc(c1)CC[*:1] C[C@H](NC(=O)Nc1cn(C)c(=O)c2ccccc12)[*:1]
C[C@H](CCc1ccco1)NC(=O)Nc1cn(C)c(=O)c2ccccc12 c1coc(c1)C[*:1] C[C@H](C[*:1])NC(=O)Nc1cn(C)c(=O)c2ccccc12
C[C@H](CCc1ccco1)NC(=O)Nc1cn(C)c(=O)c2ccccc12 c1coc(c1)[*:1] C[C@H](CC[*:1])NC(=O)Nc1cn(C)c(=O)c2ccccc12
Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)s1 Clc1ccccc1[*:1] Cc1nnc(NC(=O)CSc2nnc(n2-c2ccccc2)[*:1])s1
Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)s1 Cc1nnc(NC(=O)[*:1])s1 Clc1ccccc1-c1nnc(SC[*:1])n1-c1ccccc1
Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2[*:1])s1
Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)s1 Cc1nnc(s1)[*:1] O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)N[*:1]
CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1ccc2c3c(cccc13)CC2 CCOC(=O)[*:1] N#Cc1c(N)sc(c1COC(=O)c1ccc2CCc3cccc1c32)[*:1]
O=S(=O)(C[C@H]1CCCO1)c1ccccc1Cl C1CO[C@H](C1)[*:1] O=S(=O)(C[*:1])c1ccccc1Cl
COc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1S(=O)(=O)N(C)C c1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N(C)C)C(=O)N[C@@H]1C[C@@H]1[*:1]
COc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)N[C@@H]1C[C@H]1c1ccccc1
C[C@@H](c1ccccn1)N(C)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 C[C@@H](c1ccccn1)[*:1] C[C@H](Cc1cccc(c1)C(F)(F)F)C(=O)N(C)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)[C@H](C)Cc1cccc(c1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 c1ccc(nc1)[*:1] C[C@@H](N(C)C(=O)[C@H](C)Cc1cccc(c1)C(F)(F)F)[*:1]
Cc1c(Cl)cc(C(C)C)c2oc(=O)cc(CCl)c12 CC(C)[*:1] Cc1c(Cl)cc(c2oc(=O)cc(CCl)c12)[*:1]
Cc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(/C=C(\C#N)C(=O)NC[*:1])s1
Cc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)s1 Cc1ccc(s1)[*:1] N#CC(=C[*:1])C(=O)NCc1ccccc1
CCOCCn1/c(=N/C(=O)c2ccno2)sc2cc(C)ccc21 CCOCC[*:1] Cc1ccc2c(c1)s/c(=N\C(=O)c1ccno1)n2[*:1]
CCOCCn1/c(=N/C(=O)c2ccno2)sc2cc(C)ccc21 CCOC[*:1] Cc1ccc2c(c1)s/c(=N\C(=O)c1ccno1)n2C[*:1]
CCOCCn1/c(=N/C(=O)c2ccno2)sc2cc(C)ccc21 CCO[*:1] Cc1ccc2c(c1)s/c(=N\C(=O)c1ccno1)n2CC[*:1]
CCOCCn1/c(=N/C(=O)c2ccno2)sc2cc(C)ccc21 c1cc(on1)[*:1] CCOCCn1/c(=N/C(=O)[*:1])sc2cc(C)ccc21
CCCOc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 CCC[*:1] Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(cc1)O[*:1]
CCCOc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 CCCO[*:1] Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(cc1)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cccc(Cl)c1)C(=O)N[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)CSc1nc2ccccc2n1[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 CC(C)(C)[*:1] O=C(CSc1nc2ccccc2n1-c1ccccc1)N[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 CC(C)(C)NC(=O)C[*:1] c1ccc(cc1)-n1c(nc2ccccc21)S[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 CC(C)(C)NC(=O)[*:1] c1ccc(cc1)-n1c(nc2ccccc21)SC[*:1]
CCn1ncc(-c2cc(C(F)(F)F)nc(-n3ccc(C(=O)[O-])n3)n2)c1C O=C([O-])[*:1] CCn1ncc(-c2cc(nc(n2)-n2ccc(n2)[*:1])C(F)(F)F)c1C
CCn1ncc(-c2cc(C(F)(F)F)nc(-n3ccc(C(=O)[O-])n3)n2)c1C FC(F)(F)[*:1] CCn1ncc(-c2cc(nc(n2)-n2ccc(n2)C(=O)[O-])[*:1])c1C
CCn1ncc(-c2cc(C(F)(F)F)nc(-n3ccc(C(=O)[O-])n3)n2)c1C O=C([O-])c1ccn(n1)[*:1] CCn1ncc(-c2cc(nc(n2)[*:1])C(F)(F)F)c1C
CCn1ncc(-c2cc(C(F)(F)F)nc(-n3ccc(C(=O)[O-])n3)n2)c1C CCn1ncc(c1C)[*:1] O=C([O-])c1ccn(n1)-c1nc(cc(n1)[*:1])C(F)(F)F
Cc1ccccc1CSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 Cc1ccccc1CS[*:1] O=C1C[C@H](c2ccc3OCOc3c2)c2c([O-])nc(nc2N1)[*:1]
Cc1ccccc1CSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1ccccc1CSc1nc([O-])c2c(n1)NC(=O)C[C@H]2[*:1]
Cc1ccccc1CSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 Cc1ccccc1C[*:1] O=C1C[C@H](c2ccc3OCOc3c2)c2c([O-])nc(nc2N1)S[*:1]
Cc1ccccc1CSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 Cc1ccccc1[*:1] O=C1C[C@H](c2ccc3OCOc3c2)c2c([O-])nc(nc2N1)SC[*:1]
Cc1nc(CC(C)C)sc1C(=O)OCC(N)=O CC(C)C[*:1] Cc1nc(sc1C(=O)OCC(N)=O)[*:1]
Cc1nc(CC(C)C)sc1C(=O)OCC(N)=O NC(=O)[*:1] Cc1nc(CC(C)C)sc1C(=O)OC[*:1]
Cc1nc(CC(C)C)sc1C(=O)OCC(N)=O CC(C)[*:1] Cc1nc(C[*:1])sc1C(=O)OCC(N)=O
Cc1nc(CC(C)C)sc1C(=O)OCC(N)=O NC(=O)C[*:1] Cc1nc(CC(C)C)sc1C(=O)O[*:1]
CCC1(C(=O)[O-])CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 O=C([O-])[*:1] CCC1(CCN(CC1)C(=O)C[C@H]1CSCC[NH2+]1)[*:1]
CC(C)C[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)c1ccccc1 CC(C)C[*:1] O=C(Nc1cccnc1Cl)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)C[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)[*:1]
CC(C)C[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)c1ccccc1 Clc1ncccc1[*:1] CC(C)C[C@@H](NC(=O)C(=O)N[*:1])c1ccccc1
CC(C)C[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)c1ccccc1 CC(C)[*:1] O=C(Nc1cccnc1Cl)C(=O)N[C@H](C[*:1])c1ccccc1
O=C(NCCCc1nccs1)c1ccc2c(c1)CCC2 c1csc(n1)[*:1] O=C(NCCC[*:1])c1ccc2CCCc2c1
O=C(NCCCc1nccs1)c1ccc2c(c1)CCC2 c1csc(C[*:1])n1 O=C(NCC[*:1])c1ccc2CCCc2c1
C#Cc1cccc(NC(=O)CNC(=O)CNC(=O)c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] C#Cc1cccc(c1)NC(=O)CNC(=O)CNC(=O)[*:1]
C#Cc1cccc(NC(=O)CNC(=O)CNC(=O)c2cccc(C)c2)c1 C#Cc1cccc(c1)[*:1] Cc1cccc(c1)C(=O)NCC(=O)NCC(=O)N[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(F)cc1)[*:1]
CC[C@@H](C)N1CC(CC)(CC)[NH2+]CC1(CC)CC CC[C@@H](C)[*:1] CCC1(CC)CN(C(CC)(CC)C[NH2+]1)[*:1]
CCc1cccc([N-]S(=O)(=O)c2ccc(C3=NN=C(C(F)(F)F)C3)s2)c1 FC(F)(F)[*:1] CCc1cccc(c1)[N-]S(=O)(=O)c1ccc(s1)C1CC(=NN=1)[*:1]
CCc1cccc([N-]S(=O)(=O)c2ccc(C3=NN=C(C(F)(F)F)C3)s2)c1 CCc1cccc(c1)[*:1] O=S(=O)([N-][*:1])c1ccc(s1)C1CC(=NN=1)C(F)(F)F
O=C([O-])[C@H](c1cnn(Cc2ccccc2)c1)N1CCOCC1 O=C([O-])[*:1] c1ccc(cc1)Cn1cc(cn1)[C@H](N1CCOCC1)[*:1]
O=C([O-])[C@H](c1cnn(Cc2ccccc2)c1)N1CCOCC1 C1CN(CCO1)[*:1] O=C([O-])[C@H](c1cnn(c1)Cc1ccccc1)[*:1]
O=C([O-])[C@H](c1cnn(Cc2ccccc2)c1)N1CCOCC1 c1ccc(cc1)C[*:1] O=C([O-])[C@H](c1cnn(c1)[*:1])N1CCOCC1
O=C([O-])[C@H](c1cnn(Cc2ccccc2)c1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([O-])[C@H](c1cnn(c1)C[*:1])N1CCOCC1
C[C@H]1CCCC[C@H]1n1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1cccnc1 Fc1ccc(cc1F)[*:1] C[C@H]1CCCC[C@H]1n1c(nnc1-c1cccnc1)SCC(=O)[*:1]
C[C@H]1CCCC[C@H]1n1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1cccnc1 c1cncc(c1)[*:1] C[C@H]1CCCC[C@H]1n1c(nnc1[*:1])SCC(=O)c1ccc(F)c(F)c1
C[C@H]1CCCC[C@H]1n1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1cccnc1 O=C(c1ccc(F)c(F)c1)[*:1] C[C@H]1CCCC[C@H]1n1c(nnc1-c1cccnc1)SC[*:1]
COc1ccc(Nc2nnc(S[C@H]3CC(=O)N(c4cccc(Cl)c4C)C3=O)s2)cc1 Cc1c(Cl)cccc1[*:1] COc1ccc(cc1)Nc1nnc(S[C@H]2CC(=O)N(C2=O)[*:1])s1
COc1ccc(Nc2nnc(S[C@H]3CC(=O)N(c4cccc(Cl)c4C)C3=O)s2)cc1 COc1ccc(cc1)N[*:1] Cc1c(Cl)cccc1N1C(=O)C[C@H](Sc2nnc(s2)[*:1])C1=O
COc1ccc(Nc2nnc(S[C@H]3CC(=O)N(c4cccc(Cl)c4C)C3=O)s2)cc1 COc1ccc(cc1)[*:1] Cc1c(Cl)cccc1N1C(=O)C[C@H](Sc2nnc(N[*:1])s2)C1=O
COc1ccccc1C(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(Cl)cc1C COc1ccccc1[*:1] Cc1cc(Cl)ccc1NC(=O)CN1C(=O)CS/C1=C\C(=O)[*:1]
COc1ccccc1C(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(Cl)cc1C Cc1cc(Cl)ccc1[*:1] COc1ccccc1C(=O)/C=C1\SCC(=O)N1CC(=O)N[*:1]
CCCn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 CCC[*:1] O=C1C[C@@H](CN1Cc1ccccc1)c1nc2ccccc2n1[*:1]
CCCn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)[*:1] CCCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)C[*:1]
CCCn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)C[*:1] CCCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
COc1cccc(OC2CN(C(=O)c3cc(C)nc4ccc(C)cc34)C2)c1 COc1cccc(c1)O[*:1] Cc1ccc2nc(C)cc(C(=O)N3CC(C3)[*:1])c2c1
COc1cccc(OC2CN(C(=O)c3cc(C)nc4ccc(C)cc34)C2)c1 COc1cccc(c1)[*:1] Cc1ccc2nc(C)cc(C(=O)N3CC(C3)O[*:1])c2c1
Cn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nnc1N1CCOCC1 Fc1ccc(cc1)[*:1] Cn1c(nnc1N1CCOCC1)S[C@H](C(N)=O)[*:1]
Cn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nnc1N1CCOCC1 C1CN(CCO1)[*:1] Cn1c(nnc1[*:1])S[C@H](C(N)=O)c1ccc(F)cc1
Cn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nnc1N1CCOCC1 NC(=O)[*:1] Cn1c(nnc1N1CCOCC1)S[C@H](c1ccc(F)cc1)[*:1]
O=C([O-])[C@H]1CCC[C@@H]1C[NH2+][C@H]1CCOC2(CCCCC2)C1 O=C([O-])[*:1] C1CCC2(CC1)C[C@H](CCO2)[NH2+]C[C@H]1CCC[C@@H]1[*:1]
O=C(Cn1cnnn1)N(CCc1ccccc1)Cc1ccncc1 c1ccc(cc1)CC[*:1] O=C(Cn1cnnn1)N(Cc1ccncc1)[*:1]
O=C(Cn1cnnn1)N(CCc1ccccc1)Cc1ccncc1 c1ccc(cc1)[*:1] O=C(Cn1cnnn1)N(CC[*:1])Cc1ccncc1
O=C(Cn1cnnn1)N(CCc1ccccc1)Cc1ccncc1 c1ccc(cc1)C[*:1] O=C(Cn1cnnn1)N(Cc1ccncc1)C[*:1]
O=C(Cn1cnnn1)N(CCc1ccccc1)Cc1ccncc1 c1nnnn1C[*:1] O=C(N(CCc1ccccc1)Cc1ccncc1)[*:1]
O=C(Cn1cnnn1)N(CCc1ccccc1)Cc1ccncc1 c1cc(ccn1)C[*:1] O=C(Cn1cnnn1)N(CCc1ccccc1)[*:1]
O=C(Cn1cnnn1)N(CCc1ccccc1)Cc1ccncc1 c1nnnn1[*:1] O=C(C[*:1])N(CCc1ccccc1)Cc1ccncc1
O=C(Cn1cnnn1)N(CCc1ccccc1)Cc1ccncc1 c1cc(ccn1)[*:1] O=C(Cn1cnnn1)N(CCc1ccccc1)C[*:1]
CC(C)(C)c1cc(CCC(=O)N2CCOC[C@@H]2C#N)cc(C(C)(C)C)c1O CC(C)(C)[*:1] CC(C)(C)c1cc(cc(c1O)[*:1])CCC(=O)N1CCOC[C@@H]1C#N
C[C@H]1CC=CC[C@@H]1COC(=O)c1sccc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] C[C@H]1CC=CC[C@@H]1COC(=O)c1sccc1[*:1]
COC(=O)COc1cc(C)nc(-c2ccncc2)n1 COC(=O)[*:1] Cc1cc(nc(n1)-c1ccncc1)OC[*:1]
COC(=O)COc1cc(C)nc(-c2ccncc2)n1 COC(=O)C[*:1] Cc1cc(nc(n1)-c1ccncc1)O[*:1]
COC(=O)COc1cc(C)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] COC(=O)COc1cc(C)nc(n1)[*:1]
COC(=O)COc1cc(C)nc(-c2ccncc2)n1 COC(=O)CO[*:1] Cc1cc(nc(n1)-c1ccncc1)[*:1]
CC(=O)c1cc(C(=O)Nc2ccccc2C)n(C)c1 CC(=O)[*:1] Cc1ccccc1NC(=O)c1cc(cn1C)[*:1]
N#Cc1ccc(NCC(=O)NCC2(c3ccccc3)CCC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CN[*:1])NCC1(CCC1)c1ccccc1
N#Cc1ccc(NCC(=O)NCC2(c3ccccc3)CCC2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NCC(=O)NCC1(CCC1)[*:1]
Cc1nc2ccccc2c(C)c1CC(=O)N(C)[C@@H](C)Cc1ccsc1 c1cc(cs1)[*:1] Cc1nc2ccccc2c(C)c1CC(=O)N(C)[C@@H](C)C[*:1]
Cc1nc2ccccc2c(C)c1CC(=O)N(C)[C@@H](C)Cc1ccsc1 c1cc(cs1)C[*:1] Cc1nc2ccccc2c(C)c1CC(=O)N(C)[C@@H](C)[*:1]
O=C(c1ccc(OCC2CC2)nc1)N1CCCSc2ccccc21 C1CC1CO[*:1] O=C(c1ccc(nc1)[*:1])N1CCCSc2ccccc21
O=C(c1ccc(OCC2CC2)nc1)N1CCCSc2ccccc21 C1CC1C[*:1] O=C(c1ccc(nc1)O[*:1])N1CCCSc2ccccc21
O=C(c1ccc(OCC2CC2)nc1)N1CCCSc2ccccc21 C1CC1[*:1] O=C(c1ccc(nc1)OC[*:1])N1CCCSc2ccccc21
CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCC(C)CC4)c(=O)c3c2)cc1 CC1CCC(CC1)[*:1] CCOc1ccc(cc1)NS(=O)(=O)c1ccc2[nH]cc(C(=O)N[*:1])c(=O)c2c1
CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCC(C)CC4)c(=O)c3c2)cc1 CCO[*:1] CC1CCC(CC1)NC(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCC(C)CC4)c(=O)c3c2)cc1 CC1CCC(CC1)NC(=O)[*:1] CCOc1ccc(cc1)NS(=O)(=O)c1ccc2[nH]cc(c(=O)c2c1)[*:1]
CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCC(C)CC4)c(=O)c3c2)cc1 CCOc1ccc(cc1)[*:1] CC1CCC(CC1)NC(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N[*:1]
COc1ccccc1[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(C)(C)C O=C(N[*:1])c1ccoc1 COc1ccccc1[C@H](NC(=O)[C@H](C)[*:1])C(C)(C)C
COc1ccccc1[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(C)(C)C CC(C)(C)[*:1] COc1ccccc1[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)[*:1]
COc1ccccc1[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(C)(C)C COc1ccccc1[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H](C(C)(C)C)[*:1]
COc1ccccc1[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(C)(C)C c1cc(co1)[*:1] COc1ccccc1[C@H](NC(=O)[C@H](C)NC(=O)[*:1])C(C)(C)C
Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccccc2)ccc1F Cc1cc(ccc1F)[*:1] O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)[*:1]
Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccccc2)ccc1F c1ccc(cc1)[*:1] Cc1cc(ccc1F)S(=O)(=O)N1CCCO[C@H]1CNC(=O)C(=O)NC[*:1]
Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccccc2)ccc1F c1ccc(cc1)C[*:1] Cc1cc(ccc1F)S(=O)(=O)N1CCCO[C@H]1CNC(=O)C(=O)N[*:1]
Cc1nn(CC(=O)NCCc2nc3c(s2)CCCC3)c(=O)c2ccccc12 C1CCc2sc(nc2C1)[*:1] Cc1nn(CC(=O)NCC[*:1])c(=O)c2ccccc12
CC(C)(C)NC(=O)NC(=O)CN(Cc1cccnc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(C)(C)NC(=O)NC(=O)CN(Cc1cccnc1)C[*:1]
CC(C)(C)NC(=O)NC(=O)CN(Cc1cccnc1)C[C@@H]1CCCO1 c1cncc(c1)[*:1] CC(C)(C)NC(=O)NC(=O)CN(C[C@@H]1CCCO1)C[*:1]
CC(C)(C)NC(=O)NC(=O)CN(Cc1cccnc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC(C)(C)NC(=O)NC(=O)CN(Cc1cccnc1)[*:1]
CC(C)(C)NC(=O)NC(=O)CN(Cc1cccnc1)C[C@@H]1CCCO1 CC(C)(C)[*:1] O=C(CN(Cc1cccnc1)C[C@@H]1CCCO1)NC(=O)N[*:1]
CC(C)(C)NC(=O)NC(=O)CN(Cc1cccnc1)C[C@@H]1CCCO1 c1cncc(c1)C[*:1] CC(C)(C)NC(=O)NC(=O)CN(C[C@@H]1CCCO1)[*:1]
CCN(Cc1cccs1)C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C c1csc(c1)C[*:1] CCN(C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C)[*:1]
CCN(Cc1cccs1)C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CCN(Cc1cccs1)C(=O)CSc1nnc(C)n1[*:1]
CCN(Cc1cccs1)C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C c1csc(c1)[*:1] CCN(C[*:1])C(=O)CSc1nnc(C)n1-c1cc(C)ccc1C
COc1c([C@@H](O)c2ccc(OC(C)C)cc2)c(C)nn1C CC(C)[*:1] COc1c(c(C)nn1C)[C@@H](O)c1ccc(cc1)O[*:1]
COc1c([C@@H](O)c2ccc(OC(C)C)cc2)c(C)nn1C CC(C)O[*:1] COc1c(c(C)nn1C)[C@@H](O)c1ccc(cc1)[*:1]
COc1ccccc1[C@H]1CCN(C(=O)C(=O)Nc2cncc(C)c2)C1 COc1ccccc1[*:1] Cc1cncc(c1)NC(=O)C(=O)N1CC[C@@H](C1)[*:1]
COc1ccccc1[C@H]1CCN(C(=O)C(=O)Nc2cncc(C)c2)C1 Cc1cncc(c1)[*:1] COc1ccccc1[C@H]1CCN(C1)C(=O)C(=O)N[*:1]
Cc1cc(N2CCOCC2)n2nc(CN3CC[NH+](C(C)C)CC3)nc2n1 C1CN(CCO1)[*:1] Cc1cc(n2nc(CN3CC[NH+](CC3)C(C)C)nc2n1)[*:1]
Cc1cc(N2CCOCC2)n2nc(CN3CC[NH+](C(C)C)CC3)nc2n1 CC(C)[*:1] Cc1cc(N2CCOCC2)n2nc(CN3CC[NH+](CC3)[*:1])nc2n1
CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1 CS(=O)(=O)[*:1] O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1ccc(cc1)C[*:1]
CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)NC[C@@H](O)[*:1]
CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1 CS(=O)(=O)C[*:1] O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1ccc(cc1)[*:1]
O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(cc1Br)[*:1]
O=S(=O)(NCCNc1cc(-n2cccc2)ncn1)c1ccc2cccc3c2c1CC3 c1ccn(c1)[*:1] O=S(=O)(NCCNc1cc(ncn1)[*:1])c1ccc2cccc3CCc1c32
CC[C@H](CSC)N(C)S(=O)(=O)c1cc(C(C)=O)ccc1Cl CC(=O)[*:1] CC[C@H](CSC)N(C)S(=O)(=O)c1cc(ccc1Cl)[*:1]
CC[C@H](CSC)N(C)S(=O)(=O)c1cc(C(C)=O)ccc1Cl CSC[*:1] CC[C@H](N(C)S(=O)(=O)c1cc(ccc1Cl)C(C)=O)[*:1]
CCC[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)[*:1]
CCC[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)c1cc2cc(Br)ccc2o1)[*:1]
CNC(=O)Cn1cc(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)cn1 CNC(=O)C[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)Nc1cnn(c1)[*:1]
CNC(=O)Cn1cc(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)cn1 CNC(=O)[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)Nc1cnn(c1)C[*:1]
O=C(CCc1ccccc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CC[*:1])N[C@H]1CCC[C@H](C1)OC(=O)Nc1ccccc1
O=C(CCc1ccccc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](C1)NC(=O)[*:1]
O=C(CCc1ccccc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CCc1ccccc1)N[C@H]1CCC[C@H](C1)OC(=O)N[*:1]
O=C(CCc1ccccc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(C[*:1])N[C@H]1CCC[C@H](C1)OC(=O)Nc1ccccc1
CCOCCN(C)C(=O)N[C@H]1CCCC[C@@H]1SCC CCS[*:1] CCOCCN(C)C(=O)N[C@H]1CCCC[C@H]1[*:1]
CCOCCN(C)C(=O)N[C@H]1CCCC[C@@H]1SCC CCOC[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)N(C)C[*:1]
CCOCCN(C)C(=O)N[C@H]1CCCC[C@@H]1SCC CCO[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)N[C@H]1CCCC[C@@H]1SCC CCOCC[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)N(C)[*:1]
CCCCCCS(=O)(=O)CCO OCC[*:1] CCCCCCS(=O)(=O)[*:1]
CCCCCCS(=O)(=O)CCO CCCC[*:1] O=S(=O)(CCO)CC[*:1]
CCCCCCS(=O)(=O)CCO CCC[*:1] O=S(=O)(CCO)CCC[*:1]
C[C@H]1CCC[C@H](C)[NH+]1CCS(N)(=O)=O NS(=O)(=O)[*:1] C[C@H]1CCC[C@H](C)[NH+]1CC[*:1]
N#C/C(=C\c1ccc2c(c1)CCO2)C(=O)c1cccs1 c1csc(c1)[*:1] N#C/C(=C\c1ccc2OCCc2c1)C(=O)[*:1]
Cc1ccc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)c(O)c1 Cc1ccc(c(O)c1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(Cl)nn1
Cc1ccc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)c(O)c1 Clc1ccc(nn1)[*:1] Cc1ccc(NC(=O)C2CCN(CC2)[*:1])c(O)c1
C[C@H]1CCCN(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)C1 C1CC1[*:1] C[C@H]1CCCN(C1)C(=O)CSc1nnc(Cc2cccs2)n1[*:1]
C[C@H]1CCCN(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)C1 c1csc(c1)[*:1] C[C@H]1CCCN(C1)C(=O)CSc1nnc(C[*:1])n1C1CC1
C[C@H]1CCCN(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)C1 c1csc(c1)C[*:1] C[C@H]1CCCN(C1)C(=O)CSc1nnc(n1C1CC1)[*:1]
COc1ccc(C(=O)N2CCN(CCn3nc(C)cc3C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)n(CCN2CCN(CC2)C(=O)[*:1])n1
COc1ccc(C(=O)N2CCN(CCn3nc(C)cc3C)CC2)cc1 Cc1cc(C)n(n1)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)CC[*:1]
COc1ccc(C(=O)N2CCN(CCn3nc(C)cc3C)CC2)cc1 Cc1cc(C)n(C[*:1])n1 COc1ccc(cc1)C(=O)N1CCN(CC1)C[*:1]
Cc1ccc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])c(C)n1 O=[N+]([O-])[*:1] Cc1ccc(C(=O)Oc2cc(F)ccc2[*:1])c(C)n1
O=C(NNC(=O)c1cccnc1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NNC(=O)c1cccnc1)c1ccc(cc1)[*:1]
O=C(NNC(=O)c1cccnc1)c1ccc(C(F)(F)F)cc1 c1cncc(c1)[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)C(F)(F)F
CCCc1cc(NC(=O)NNc2cnccn2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)NNc1cnccn1)[*:1]
CCCc1cc(NC(=O)NNc2cnccn2)n(C)n1 c1cnc(cn1)[*:1] CCCc1cc(NC(=O)NN[*:1])n(C)n1
O=C(CNS(=O)(=O)c1ccccc1)N[C@@H](CO)C(=O)[O-] c1ccc(cc1)[*:1] O=C(CNS(=O)(=O)[*:1])N[C@@H](CO)C(=O)[O-]
O=C(CNS(=O)(=O)c1ccccc1)N[C@@H](CO)C(=O)[O-] O=C([O-])[*:1] O=C(CNS(=O)(=O)c1ccccc1)N[C@@H](CO)[*:1]
COCC[NH2+]Cc1ncoc1-c1cccc(I)c1 COC[*:1] Ic1cccc(c1)-c1ocnc1C[NH2+]C[*:1]
COCC[NH2+]Cc1ncoc1-c1cccc(I)c1 COCC[*:1] Ic1cccc(c1)-c1ocnc1C[NH2+][*:1]
Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 c1cnn(c1)[*:1] Cc1[nH+]ccn1[C@@H]1CCCN(C1)C(=O)Cc1ccc(cc1)[*:1]
CCn1c(C)cc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c1C O=C1CCCC(=O)N1[*:1] CCn1c(C)cc(C(=O)Nc2ccc(cc2)[*:1])c1C
Cc1cccc(C(=O)N2CCCc3cc(F)ccc32)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C(=O)N2CCCc3cc(F)ccc32)c1[*:1]
COc1ccc(C(=O)N2CCC[C@H](c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)C2)cc1OC Fc1ccc(cc1)C[*:1] COc1ccc(cc1OC)C(=O)N1CCC[C@@H](C1)c1nc(O)c2nnn(c2n1)[*:1]
COc1ccc(C(=O)N2CCC[C@H](c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N1CCC[C@@H](C1)c1nc(O)c2nnn(Cc3ccc(F)cc3)c2n1)[*:1]
COc1ccc(C(=O)N2CCC[C@H](c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)C2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)N1CCC[C@@H](C1)c1nc(O)c2nnn(C[*:1])c2n1
C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 O=[N+]([O-])[*:1] C[C@@H](NS(=O)(=O)Cc1ccc(cc1)[*:1])c1cccc2ccccc12
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC[C@@]1(C)CCCO1 C[C@]1(CCCO1)[*:1] C[C@]1(CCCN1C(=O)NC[*:1])C(=O)[O-]
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC[C@@]1(C)CCCO1 O=C([O-])[*:1] C[C@]1(CCCN1C(=O)NC[C@@]1(C)CCCO1)[*:1]
CC[C@@H](c1ccc(Br)cc1)[C@@H]([NH3+])C(C)C CC(C)[*:1] CC[C@@H](c1ccc(Br)cc1)[C@@H]([NH3+])[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)Cn2cc(C)c3ccccc32)cc1 COc1ccc(cc1)[*:1] Cc1cn(CC(=O)N[C@@H](C)[C@@H](O)[*:1])c2ccccc12
COc1cccc(NC2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 COc1cccc(c1)[*:1] O=C(Cc1ccccc1Cl)N1CCC(CC1)N[*:1]
COc1cccc(NC2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 Clc1ccccc1C[*:1] COc1cccc(c1)NC1CCN(CC1)C(=O)[*:1]
COc1cccc(NC2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 Clc1ccccc1[*:1] COc1cccc(c1)NC1CCN(CC1)C(=O)C[*:1]
CCOC(=O)c1oc2ccccc2c1NC(=O)CSc1ccccc1 c1ccc(cc1)S[*:1] CCOC(=O)c1oc2ccccc2c1NC(=O)C[*:1]
CCOC(=O)c1oc2ccccc2c1NC(=O)CSc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1oc2ccccc2c1NC(=O)CS[*:1]
CCOC(=O)c1oc2ccccc2c1NC(=O)CSc1ccccc1 c1ccc(cc1)SC[*:1] CCOC(=O)c1oc2ccccc2c1NC(=O)[*:1]
CCOC(=O)c1oc2ccccc2c1NC(=O)CSc1ccccc1 CCOC(=O)[*:1] O=C(CSc1ccccc1)Nc1c(oc2ccccc12)[*:1]
CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 CC[C@H](C)[*:1] C[C@H]([NH2+]CCC(=O)N[*:1])c1cc(F)c(F)c(F)c1
CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 CC[C@H](C)NC(=O)[*:1] C[C@H]([NH2+]CC[*:1])c1cc(F)c(F)c(F)c1
CCCc1cc(NC(=O)c2ccnc(SCC)c2)n(C)n1 CCC[*:1] CCSc1cc(ccn1)C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)c2ccnc(SCC)c2)n(C)n1 CCS[*:1] CCCc1cc(NC(=O)c2ccnc(c2)[*:1])n(C)n1
Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCC(=O)O2)o1 O=C1CC[C@H](O1)[*:1] Cc1ccc(CN(CC[NH+](C)C)C(=O)[*:1])o1
Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCC(=O)O2)o1 Cc1ccc(C[*:1])o1 C[NH+](C)CCN(C(=O)[C@@H]1CCC(=O)O1)[*:1]
Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCC(=O)O2)o1 Cc1ccc(o1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)[C@@H]1CCC(=O)O1
Cc1ccccc1/C(=C1/OC(=O)c2ccccc21)[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1C(=C1OC(=O)c2ccccc21)[*:1]
Cc1ccccc1/C(=C1/OC(=O)c2ccccc21)[N+](=O)[O-] Cc1ccccc1[*:1] O=C1O/C(=C(\[N+](=O)[O-])[*:1])c2ccccc21
CCOCC[NH+]1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 CCOC[*:1] O[C@H](CN1CC[NH+](CC1)C[*:1])c1ccc(F)cc1
CCOCC[NH+]1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 CCOCC[*:1] O[C@H](CN1CC[NH+](CC1)[*:1])c1ccc(F)cc1
CCOCC[NH+]1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCOCC[NH+]1CCN(CC1)C[C@@H](O)[*:1]
CCOCC[NH+]1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 CCO[*:1] O[C@H](CN1CC[NH+](CC1)CC[*:1])c1ccc(F)cc1
O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Cc1cnn(c1)-c1ccccc1)Nc1ccc(cc1)OC[*:1]
O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] O=C(Cc1cnn(c1)-c1ccccc1)Nc1ccc(cc1)[*:1]
O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] O=C(Cc1cnn(c1)-c1ccccc1)Nc1ccc(cc1)O[*:1]
O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(OCC(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C(Cc1cnn(c1)[*:1])Nc1ccc(cc1)OCC(F)(F)F
CCC(CC)[C@H](NC(=O)c1nc(C)c(C)[nH]c1=O)c1cccs1 CCC(CC)[*:1] Cc1nc(C(=O)N[C@H](c2cccs2)[*:1])c(=O)[nH]c1C
CCC(CC)[C@H](NC(=O)c1nc(C)c(C)[nH]c1=O)c1cccs1 c1csc(c1)[*:1] CCC(CC)[C@H](NC(=O)c1nc(C)c(C)[nH]c1=O)[*:1]
C/[NH+]=C(/NCC(=O)N(C)CC(F)(F)F)N1C[C@@H]2CC=CC[C@H]2C1 FC(F)(F)[*:1] C/[NH+]=C(/NCC(=O)N(C)C[*:1])N1C[C@@H]2CC=CC[C@H]2C1
C/[NH+]=C(/NCC(=O)N(C)CC(F)(F)F)N1C[C@@H]2CC=CC[C@H]2C1 FC(F)(F)C[*:1] C/[NH+]=C(/NCC(=O)N(C)[*:1])N1C[C@@H]2CC=CC[C@H]2C1
O=[N+]([O-])c1c(C(F)(F)F)nn(-c2ccc(Cl)c(F)c2)c1Cl O=[N+]([O-])[*:1] Fc1cc(ccc1Cl)-n1nc(c(c1Cl)[*:1])C(F)(F)F
O=[N+]([O-])c1c(C(F)(F)F)nn(-c2ccc(Cl)c(F)c2)c1Cl FC(F)(F)[*:1] O=[N+]([O-])c1c(nn(-c2ccc(Cl)c(F)c2)c1Cl)[*:1]
CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC CC[C@H](C)[*:1] COc1ccccc1[C@@H]1[C@@H](CCC(=O)N1c1ccc(C)cc1)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC COc1ccccc1[*:1] CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1[*:1]
CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC Cc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N([C@@H]1c1ccccc1OC)[*:1]
CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC CC[C@H](C)NC(=O)[*:1] COc1ccccc1[C@@H]1[C@@H](CCC(=O)N1c1ccc(C)cc1)[*:1]
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2c(s1)CCCC2 c1ccc(cc1)[*:1] N#C/C(=C\c1cn(nc1-c1ccccc1)[*:1])c1nc2CCCCc2s1
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2c(s1)CCCC2 C1CCc2sc(nc2C1)[*:1] N#CC(=Cc1cn(nc1-c1ccccc1)-c1ccccc1)[*:1]
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2c(s1)CCCC2 c1ccc(cc1)[*:1] N#C/C(=C\c1cn(nc1[*:1])-c1ccccc1)c1nc2CCCCc2s1
C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1Br Brc1ccccc1[*:1] C[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)[*:1]
O=C([O-])[C@H](C[C@@H]1Cc2ccccc2S1)c1cccc(Br)c1 O=C([O-])[*:1] Brc1cccc(c1)[C@@H](C[C@@H]1Cc2ccccc2S1)[*:1]
O=C([O-])[C@H](C[C@@H]1Cc2ccccc2S1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C([O-])[C@H](C[C@@H]1Cc2ccccc2S1)[*:1]
CC(=O)NC1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CC1 CC(=O)N[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N1CCC(CC1)[*:1]
CN(CCC(F)(F)F)C(=O)c1[nH]nc(C2CC2)c1Br FC(F)(F)[*:1] CN(CC[*:1])C(=O)c1[nH]nc(c1Br)C1CC1
CN(CCC(F)(F)F)C(=O)c1[nH]nc(C2CC2)c1Br FC(F)(F)C[*:1] CN(C[*:1])C(=O)c1[nH]nc(c1Br)C1CC1
CN(CCC(F)(F)F)C(=O)c1[nH]nc(C2CC2)c1Br C1CC1[*:1] CN(CCC(F)(F)F)C(=O)c1[nH]nc(c1Br)[*:1]
CN(CCC(F)(F)F)C(=O)c1[nH]nc(C2CC2)c1Br FC(F)(F)CC[*:1] CN(C(=O)c1[nH]nc(c1Br)C1CC1)[*:1]
C#CCN(CC#C)C(=O)c1cc(C)nc2ccc(Br)cc12 C#CC[*:1] C#CCN(C(=O)c1cc(C)nc2ccc(Br)cc12)[*:1]
COC[C@H](O)CNS(=O)(=O)c1cc(N)c(F)cc1C COC[C@H](O)C[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)N[*:1]
COC[C@H](O)CNS(=O)(=O)c1cc(N)c(F)cc1C COC[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)NC[C@@H](O)[*:1]
COC[C@H](O)CNS(=O)(=O)c1cc(N)c(F)cc1C COC[C@H](O)[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)NC[*:1]
C1CC2=C(C1)[C@H](c1n[nH]c(C3CC3)n1)N=N2 C1CC1[*:1] C1CC2N=N[C@H](C=2C1)c1n[nH]c(n1)[*:1]
COc1cccc(CNc2ccccc2-n2ccc(C)n2)c1OC Cc1ccn(n1)[*:1] COc1cccc(CNc2ccccc2[*:1])c1OC
Cc1csc(=O)n1CCC(=O)NNC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1csc(=O)n1CCC(=O)NNC(=O)[*:1]
CC(C)c1cc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)N[C@H]1CCc2cc(Cl)ccc21
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccccc1F Clc1ccc(c(Cl)c1)[*:1] C[C@H](O[*:1])C(=O)NC(=S)Nc1ccccc1F
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccccc1F Fc1ccccc1[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)N[*:1]
Cc1oncc1C(=O)Nc1ccc(NC(=O)/C=C/c2ccsc2)cc1 C(=C[*:1])c1ccsc1 Cc1oncc1C(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1oncc1C(=O)Nc1ccc(NC(=O)/C=C/c2ccsc2)cc1 Cc1oncc1[*:1] O=C(/C=C/c1ccsc1)Nc1ccc(cc1)NC(=O)[*:1]
Cc1oncc1C(=O)Nc1ccc(NC(=O)/C=C/c2ccsc2)cc1 c1cc(cs1)[*:1] Cc1oncc1C(=O)Nc1ccc(cc1)NC(=O)C=C[*:1]
CCCOc1nc(NC[C@@H]2CN(C)CCO2)ccc1N CCCO[*:1] CN1CCO[C@H](CNc2ccc(N)c(n2)[*:1])C1
CCCOc1nc(NC[C@@H]2CN(C)CCO2)ccc1N CCC[*:1] CN1CCO[C@H](CNc2ccc(N)c(n2)O[*:1])C1
Cc1ccccc1Cc1noc(C[NH+]2CCCN(CC(=O)N(C)C)CC2)n1 CN(C)C(=O)[*:1] Cc1ccccc1Cc1noc(C[NH+]2CCCN(CC2)C[*:1])n1
Cc1ccccc1Cc1noc(C[NH+]2CCCN(CC(=O)N(C)C)CC2)n1 Cc1ccccc1[*:1] CN(C)C(=O)CN1CCC[NH+](CC1)Cc1nc(C[*:1])no1
Cc1ccccc1Cc1noc(C[NH+]2CCCN(CC(=O)N(C)C)CC2)n1 Cc1ccccc1C[*:1] CN(C)C(=O)CN1CCC[NH+](CC1)Cc1nc(no1)[*:1]
Cc1ccccc1Cc1noc(C[NH+]2CCCN(CC(=O)N(C)C)CC2)n1 CN(C)C(=O)C[*:1] Cc1ccccc1Cc1noc(C[NH+]2CCCN(CC2)[*:1])n1
C[NH+](CCC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 C1CCC(C1)[*:1] C[NH+](CCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
C[NH+](CCC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 c1cc(cc[nH+]1)[*:1] C[NH+](CCC1CCN(CC1)[*:1])C1CCCC1
CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 CNC(=O)NC(=O)[*:1] C[C@H]([NH+]1CCN(CC1)c1oc(nc1C#N)-c1ccco1)[*:1]
CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 c1coc(c1)[*:1] CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(CC1)c1oc(nc1C#N)[*:1]
CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 CCc1cccc(c1)[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2C(=O)[C@H]2CCCC[NH2+]2)n1 Cc1cnc(s1)[*:1] Cc1nc(cc(n1)[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH2+]1)N[*:1]
Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2C(=O)[C@H]2CCCC[NH2+]2)n1 Cc1cnc(N[*:1])s1 Cc1nc(cc(n1)[*:1])[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH2+]1
Cc1c(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nnn1-c1nc2c(s1)CCCC2 C1CCc2sc(nc2C1)[*:1] Cc1c(nnn1[*:1])C(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1
Cc1c(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nnn1-c1nc2c(s1)CCCC2 Clc1ccc(cc1Cl)[*:1] Cc1c(nnn1-c1nc2CCCCc2s1)C(=O)N1CCN(CC1)[*:1]
c1ccc(-c2nc(CSc3nnnn3-c3ccccc3)no2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-n1nnnc1SCc1noc(n1)[*:1]
c1ccc(-c2nc(CSc3nnnn3-c3ccccc3)no2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nc(CSc2nnnn2[*:1])no1
COc1ccc(NC(=O)N(CC[NH+]2CCCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c2cc(CN(CC[NH+]3CCCC3)C(=O)N[*:1])c(=O)[nH]c2c1
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1 C=CC[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)N1CCC[C@H](CC1)c1ccccc1
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)N1CCC[C@@H](CC1)[*:1]
C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1 C=CCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[C@H](CC1)c1ccccc1
COCCn1nc(C)c(NC(=O)c2cc3ccccc3c(OC)n2)c1C COCC[*:1] COc1nc(cc2ccccc12)C(=O)Nc1c(C)nn(c1C)[*:1]
COCCn1nc(C)c(NC(=O)c2cc3ccccc3c(OC)n2)c1C COC[*:1] COc1nc(cc2ccccc12)C(=O)Nc1c(C)nn(C[*:1])c1C
CN(C)C(=O)c1ccc(CN2CCO[C@H](c3cccc(Br)c3)C2)[nH]1 Brc1cccc(c1)[*:1] CN(C)C(=O)c1ccc(CN2CCO[C@H](C2)[*:1])[nH]1
CN(C)C(=O)c1ccc(CN2CCO[C@H](c3cccc(Br)c3)C2)[nH]1 CN(C)C(=O)[*:1] Brc1cccc(c1)[C@@H]1CN(CCO1)Cc1ccc([nH]1)[*:1]
COC(=O)[C@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@@H]1c1ccc(F)cc1 COC(=O)[*:1] O=C(c1cccc(c1)-n1cnnn1)N1C[C@H](c2ccc(F)cc2)[C@H](C1)[*:1]
COC(=O)[C@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@@H]1c1ccc(F)cc1 c1nnnn1[*:1] COC(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)c1cccc(c1)[*:1]
COC(=O)[C@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@H]1CN(C[C@H]1[*:1])C(=O)c1cccc(c1)-n1cnnn1
O=S(=O)([N-]c1ccc(-n2cccc2)cc1)c1ccc(Cl)cc1Cl c1ccn(c1)[*:1] O=S(=O)([N-]c1ccc(cc1)[*:1])c1ccc(Cl)cc1Cl
COc1ccc(S(=O)(=O)NCc2ccccn2)cc1OC c1ccc(C[*:1])nc1 COc1ccc(cc1OC)S(=O)(=O)N[*:1]
COc1ccc(S(=O)(=O)NCc2ccccn2)cc1OC c1ccc(nc1)[*:1] COc1ccc(cc1OC)S(=O)(=O)NC[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccc(F)c1)OCCO3 Fc1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1cc3OCCOc3cc1[C@@H]2[*:1]
CCc1ccc([C@H](NC(=O)CCn2cnc3sccc3c2=O)C(C)C)cc1 CCc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CCn1cnc2sccc2c1=O)[*:1]
CCc1ccc([C@H](NC(=O)CCn2cnc3sccc3c2=O)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@H](NC(=O)CCn1cnc2sccc2c1=O)[*:1]
CN(Cc1cccs1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 c1csc(c1)[*:1] CN(Cc1cccs1)C(=O)c1nc(n(n1)-c1cccc(F)c1)[*:1]
CN(Cc1cccs1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 c1csc(c1)C[*:1] CN(C(=O)c1nc(-c2cccs2)n(n1)-c1cccc(F)c1)[*:1]
CN(Cc1cccs1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 c1csc(c1)[*:1] CN(C[*:1])C(=O)c1nc(-c2cccs2)n(n1)-c1cccc(F)c1
CN(Cc1cccs1)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] CN(Cc1cccs1)C(=O)c1nc(-c2cccs2)n(n1)[*:1]
C[NH+](C)[C@H]1CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CCCN(Cc2ncc(o2)[*:1])C1
Cc1cn2c(=O)c(C(=O)NCCCc3cccc(F)c3)cnc2s1 Fc1cccc(c1)C[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NCC[*:1]
Cc1cn2c(=O)c(C(=O)NCCCc3cccc(F)c3)cnc2s1 Fc1cccc(c1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NCCC[*:1]
COc1cc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1OC(F)F c1ccc2sc(nc2c1)[*:1] COc1cc(ccc1OC(F)F)C(=O)NCC(=O)N1CCC(CC1)[*:1]
COc1cc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)NCC(=O)N1CCC(CC1)c1nc2ccccc2s1
COc1cc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)NCC(=O)N1CCC(CC1)c1nc2ccccc2s1
C[C@@H](OC(=O)Cn1nc2ccccn2c1=O)c1ccccc1N(C)C CN(C)[*:1] C[C@@H](OC(=O)Cn1nc2ccccn2c1=O)c1ccccc1[*:1]
O=C(NCC1(c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] O=C(NCC1(CC1)[*:1])Nc1ccc2OCCOc2c1
COc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1S(=O)(=O)NC(C)C CC(C)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N1CCc2sccc2[C@@H]1C
COc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1S(=O)(=O)NC(C)C CC(C)NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)N1CCc2sccc2[C@@H]1C
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-c2cccs2)on1 c1csc(c1)[*:1] O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(on1)[*:1]
COc1ccc(C2=Nc3ccc(F)cc3C(c3cccnc3)=NN2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)C1=Nc2ccc(F)cc2C(=NN1)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc([N+](=O)[O-])ccc3s2)cc1 c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2cc(ccc2s1)[N+](=O)[O-]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc([N+](=O)[O-])ccc3s2)cc1 c1ccc(cc1)C[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2cc(ccc2s1)[N+](=O)[O-])[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc([N+](=O)[O-])ccc3s2)cc1 O=[N+]([O-])[*:1] CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2cc(ccc2s1)[*:1]
Cc1ccc(CC(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccc(CC(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 Cc1ccc(cc1)C[*:1] C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C1)C(=O)[*:1]
C[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1cn(C)cn1 Cn1cnc(c1)[*:1] C[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)[*:1]
C[C@H]([NH2+]Cc1ccc(Cl)nc1)[C@@H](C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H]([NH2+]Cc1ccc(Cl)nc1)[C@@H](C)[*:1]
C[C@@H]1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)C[C@@H]1O FC(F)(F)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1nnc(s1)[*:1]
c1cnn(CCCCCSc2ccc3c(c2)OCCCO3)c1 c1cnn(c1)CC[*:1] c1cc2OCCCOc2cc1SCCC[*:1]
c1cnn(CCCCCSc2ccc3c(c2)OCCCO3)c1 c1cnn(c1)[*:1] c1cc2OCCCOc2cc1SCCCCC[*:1]
c1cnn(CCCCCSc2ccc3c(c2)OCCCO3)c1 c1cnn(c1)C[*:1] c1cc2OCCCOc2cc1SCCCC[*:1]
O=C(Nc1cccnc1Cl)C(=O)N1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cccnc1Cl)C(=O)N1CCC(CC1)[*:1]
O=C(Nc1cccnc1Cl)C(=O)N1CCC(c2ccccc2)CC1 Clc1ncccc1[*:1] O=C(N[*:1])C(=O)N1CCC(CC1)c1ccccc1
CC(C)(C)c1csc(CN2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)n1 c1cc2OCOc2cc1[*:1] CC(C)(C)c1csc(CN2CCN(CC2)C(=O)C=C[*:1])n1
CC(C)(C)c1csc(CN2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)n1 CC(C)(C)[*:1] O=C(/C=C/c1ccc2OCOc2c1)N1CCN(CC1)Cc1nc(cs1)[*:1]
CC(C)(C)c1csc(CN2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)n1 CC(C)(C)c1csc(n1)[*:1] O=C(/C=C/c1ccc2OCOc2c1)N1CCN(CC1)C[*:1]
O=C(NCc1ccc(COCC2CC2)cc1)c1nc2cccnc2nc1[O-] C1CC1[*:1] O=C(NCc1ccc(cc1)COC[*:1])c1nc2cccnc2nc1[O-]
O=C(NCc1ccc(COCC2CC2)cc1)c1nc2cccnc2nc1[O-] C1CC1COC[*:1] O=C(NCc1ccc(cc1)[*:1])c1nc2cccnc2nc1[O-]
O=C(NCc1ccc(COCC2CC2)cc1)c1nc2cccnc2nc1[O-] C1CC1CO[*:1] O=C(NCc1ccc(cc1)C[*:1])c1nc2cccnc2nc1[O-]
O=C(NCc1ccc(COCC2CC2)cc1)c1nc2cccnc2nc1[O-] C1CC1C[*:1] O=C(NCc1ccc(cc1)CO[*:1])c1nc2cccnc2nc1[O-]
O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCCC[NH2+]1 O=[N+]([O-])[*:1] O=C(Nc1ccc(Br)c(c1)[*:1])[C@H]1CCCCC[NH2+]1
Cc1nc(CNC(=O)N(C)[C@H](C)Cc2ccsc2)sc1C c1cc(cs1)[*:1] Cc1nc(CNC(=O)N(C)[C@H](C)C[*:1])sc1C
Cc1nc(CNC(=O)N(C)[C@H](C)Cc2ccsc2)sc1C Cc1nc(sc1C)[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)NC[*:1]
Cc1nc(CNC(=O)N(C)[C@H](C)Cc2ccsc2)sc1C c1cc(cs1)C[*:1] Cc1nc(CNC(=O)N(C)[C@H](C)[*:1])sc1C
COc1c(C(=O)NC[C@@H]2CCC[C@H]2O)sc(C)c1Br O[C@@H]1CCC[C@H]1[*:1] COc1c(sc(C)c1Br)C(=O)NC[*:1]
CCO[C@H]1CCCN(C(=O)Nc2ccc(-n3nccn3)cc2)C1 c1cnn(n1)[*:1] CCO[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
CCO[C@H]1CCCN(C(=O)Nc2ccc(-n3nccn3)cc2)C1 CCO[*:1] O=C(Nc1ccc(cc1)-n1nccn1)N1CCC[C@@H](C1)[*:1]
O=C([O-])C1(Cc2nc(-c3ncc[nH]3)no2)CCCCC1 O=C([O-])[*:1] c1c[nH]c(n1)-c1noc(CC2(CCCCC2)[*:1])n1
O=C([O-])C1(Cc2nc(-c3ncc[nH]3)no2)CCCCC1 c1c[nH]c(n1)[*:1] O=C([O-])C1(CCCCC1)Cc1nc(no1)[*:1]
N#C[C@@H](c1ccccc1)N1CCN(CC(=O)Nc2cccnc2)CC1 c1ccc(cc1)[*:1] N#C[C@@H](N1CCN(CC1)CC(=O)Nc1cccnc1)[*:1]
N#C[C@@H](c1ccccc1)N1CCN(CC(=O)Nc2cccnc2)CC1 c1cncc(c1)[*:1] N#C[C@@H](c1ccccc1)N1CCN(CC1)CC(=O)N[*:1]
CCCC[C@@H](O)[C@@H]1CSCCO1 CCCC[*:1] O[C@@H]([C@@H]1CSCCO1)[*:1]
CCCC[C@@H](O)[C@@H]1CSCCO1 CCC[*:1] O[C@H](C[*:1])[C@@H]1CSCCO1
O=C(/C=C/c1ccccc1F)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(/C=C/c1ccccc1F)NC[*:1]
O=C(/C=C/c1ccccc1F)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(/C=C/c1ccccc1F)N[*:1]
C[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CCOC COC[*:1] C[NH2+][C@]1(CCC[C@H]1C[*:1])C(=O)[O-]
C[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CCOC COCC[*:1] C[NH2+][C@]1(CCC[C@@H]1[*:1])C(=O)[O-]
C[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CCOC O=C([O-])[*:1] C[NH2+][C@]1(CCC[C@H]1CCOC)[*:1]
O=C(NC[C@H](O)c1ccc(Cl)s1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(NC[C@H](O)c1ccc(Cl)s1)c1nc(n2ccccc12)[*:1]
O=C(NC[C@H](O)c1ccc(Cl)s1)c1nc(C2CC2)n2ccccc12 Clc1ccc(s1)[*:1] O=C(NC[C@H](O)[*:1])c1nc(C2CC2)n2ccccc12
CCc1nc2n(n1)CCC[C@@H]2Nc1nccc(Oc2ccc(F)cc2)n1 Fc1ccc(cc1)O[*:1] CCc1nc2[C@H](CCCn2n1)Nc1nccc(n1)[*:1]
CCc1nc2n(n1)CCC[C@@H]2Nc1nccc(Oc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCc1nc2[C@H](CCCn2n1)Nc1nccc(n1)O[*:1]
Cc1cc(Br)ccc1NC(=O)C[NH+](C)Cc1csc(-c2cccs2)n1 Cc1cc(Br)ccc1[*:1] C[NH+](CC(=O)N[*:1])Cc1csc(n1)-c1cccs1
Cc1cc(Br)ccc1NC(=O)C[NH+](C)Cc1csc(-c2cccs2)n1 c1csc(c1)[*:1] Cc1cc(Br)ccc1NC(=O)C[NH+](C)Cc1csc(n1)[*:1]
Cc1cc(CNC(=O)NCC2(c3ccccc3)CC2)no1 Cc1cc(C[*:1])no1 O=C(NCC1(CC1)c1ccccc1)N[*:1]
Cc1cc(CNC(=O)NCC2(c3ccccc3)CC2)no1 c1ccc(cc1)[*:1] Cc1cc(CNC(=O)NCC2(CC2)[*:1])no1
Cc1cc(CNC(=O)NCC2(c3ccccc3)CC2)no1 Cc1cc(no1)[*:1] O=C(NCC1(CC1)c1ccccc1)NC[*:1]
CCc1ccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1 C1CC1[*:1] CCc1ccc(cc1)C[NH2+]C1CCN(CC1)C(=O)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] C=CCS(=O)(=O)/N=C(\[O-])c1cn(nn1)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1cn(-c2ccccc2)nn1 C=CC[*:1] O=S(=O)(/N=C(\[O-])c1cn(nn1)-c1ccccc1)[*:1]
CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccnc1 Brc1ccc(cc1)[*:1] CC[C@@H](NS(=O)(=O)[*:1])C(=O)Nc1cccnc1
CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccnc1 c1cncc(c1)[*:1] CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[*:1]
Cc1noc(C2CCN(C(=O)NCc3cc[nH+]c(N4CC[NH+](C)CC4)c3)CC2)n1 Cc1noc(n1)[*:1] C[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)N1CCC(CC1)[*:1]
Cc1cc2occ(CC(=O)NNC(=O)c3ccccc3Br)c2cc1Cl Brc1ccccc1[*:1] Cc1cc2occ(CC(=O)NNC(=O)[*:1])c2cc1Cl
CCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 O=[N+]([O-])[*:1] CCNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)Cc1ccc(cc1)[*:1]
CCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 CCNC(=O)[*:1] O=[N+]([O-])c1ccc(cc1)CS(=O)(=O)N1CCC[C@H](C1)[*:1]
CCN(C(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)no2)CC1)[C@@H]1CCS(=O)(=O)C1 Cc1cc(C[*:1])on1 CCN(C(=O)[C@H](C)[NH+]1CCN(CC1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCN(C(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)no2)CC1)[C@@H]1CCS(=O)(=O)C1 Cc1cc(on1)[*:1] CCN(C(=O)[C@H](C)[NH+]1CCN(CC1)C[*:1])[C@@H]1CCS(=O)(=O)C1
CCN(C(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)no2)CC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)[C@H](C)[NH+]1CCN(CC1)Cc1cc(C)no1)[*:1]
COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1cccc(OC)c1OC(C)C CC(C)O[*:1] COC(=O)C1=C(C)N(C(=S)N[C@@H]1c1cccc(OC)c1[*:1])c1ccc2OCCOc2c1
COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1cccc(OC)c1OC(C)C COC(=O)[*:1] COc1cccc(c1OC(C)C)[C@H]1NC(=S)N(C(C)=C1[*:1])c1ccc2OCCOc2c1
COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1cccc(OC)c1OC(C)C c1cc2OCCOc2cc1[*:1] COC(=O)C1=C(C)N(C(=S)N[C@@H]1c1cccc(OC)c1OC(C)C)[*:1]
COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1cccc(OC)c1OC(C)C CC(C)[*:1] COC(=O)C1=C(C)N(C(=S)N[C@@H]1c1cccc(OC)c1O[*:1])c1ccc2OCCOc2c1
CO/N=C(/C(=O)Nc1nc(C(C)C)cs1)c1ccco1 c1coc(c1)[*:1] CO/N=C(/C(=O)Nc1nc(cs1)C(C)C)[*:1]
CO/N=C(/C(=O)Nc1nc(C(C)C)cs1)c1ccco1 CC(C)[*:1] CO/N=C(/C(=O)Nc1nc(cs1)[*:1])c1ccco1
[NH3+]C[C@H]1C[C@H](O)C[C@H]1C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] [NH3+]C[C@H]1C[C@H](O)C[C@H]1C(=O)OC[*:1]
c1ccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 c1ccc(cc1)C[*:1] c1cc(ccn1)-c1noc(n1)[C@@H]1CCN(C1)[*:1]
c1ccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 c1cc(ccn1)[*:1] c1ccc(cc1)CN1CC[C@H](C1)c1nc(no1)[*:1]
c1ccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 c1ccc(cc1)[*:1] c1cc(ccn1)-c1noc(n1)[C@@H]1CCN(C1)C[*:1]
NC(=O)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 O=C([O-])[*:1] NC(=O)C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
NC(=O)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 NC(=O)[*:1] O=C([O-])c1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 CCNC(=O)[*:1] O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H](C1)[*:1]
CC(C)C[C@@H]1C(=O)NC(=O)C[C@H]1c1cnn(C)c1 Cn1cc(cn1)[*:1] CC(C)C[C@@H]1C(=O)NC(=O)C[C@@H]1[*:1]
CC(C)C[C@@H]1C(=O)NC(=O)C[C@H]1c1cnn(C)c1 CC(C)C[*:1] Cn1cc(cn1)[C@@H]1CC(=O)NC(=O)[C@H]1[*:1]
CC(C)C[C@@H]1C(=O)NC(=O)C[C@H]1c1cnn(C)c1 CC(C)[*:1] Cn1cc(cn1)[C@@H]1CC(=O)NC(=O)[C@H]1C[*:1]
CC[NH2+][C@@H](COCC)[C@H]1CCOC2(CCCC2)C1 CCOC[*:1] CC[NH2+][C@@H]([C@H]1CCOC2(CCCC2)C1)[*:1]
CC[NH2+][C@@H](COCC)[C@H]1CCOC2(CCCC2)C1 CCO[*:1] CC[NH2+][C@@H](C[*:1])[C@H]1CCOC2(CCCC2)C1
COCCN1CCN(CC(=O)NC(C)C)CC1=O CC(C)NC(=O)[*:1] COCCN1CCN(CC1=O)C[*:1]
COCCN1CCN(CC(=O)NC(C)C)CC1=O COCC[*:1] CC(C)NC(=O)CN1CCN(C(=O)C1)[*:1]
COCCN1CCN(CC(=O)NC(C)C)CC1=O COC[*:1] CC(C)NC(=O)CN1CCN(C[*:1])C(=O)C1
COCCN1CCN(CC(=O)NC(C)C)CC1=O CC(C)[*:1] COCCN1CCN(CC(=O)N[*:1])CC1=O
CCn1c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc2ccccc21 c1ccc(cc1)[*:1] CCn1c(cc2ccccc21)C(=O)N1CCN(C[*:1])[C@H](C#N)C1
CCn1c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc2ccccc21 c1ccc(cc1)C[*:1] CCn1c(cc2ccccc21)C(=O)N1CCN([C@H](C#N)C1)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCC[NH+]2CCCCC2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)NCC[NH+]2CCCCC2)C1=O)[*:1]
CCN(C)C(=O)N[C@@H]1CCC[C@@H]1C(N)=S NC(=S)[*:1] CCN(C)C(=O)N[C@@H]1CCC[C@H]1[*:1]
COCCn1c(SCC(=O)OC)nc2cc(Cl)ccc21 COC(=O)CS[*:1] COCCn1c(nc2cc(Cl)ccc21)[*:1]
COCCn1c(SCC(=O)OC)nc2cc(Cl)ccc21 COCC[*:1] COC(=O)CSc1nc2cc(Cl)ccc2n1[*:1]
COCCn1c(SCC(=O)OC)nc2cc(Cl)ccc21 COC(=O)[*:1] COCCn1c(nc2cc(Cl)ccc21)SC[*:1]
COCCn1c(SCC(=O)OC)nc2cc(Cl)ccc21 COC[*:1] COC(=O)CSc1nc2cc(Cl)ccc2n1C[*:1]
COCCn1c(SCC(=O)OC)nc2cc(Cl)ccc21 COC(=O)C[*:1] COCCn1c(nc2cc(Cl)ccc21)S[*:1]
Cc1c(C(=O)N[C@@H](C)Cc2cccc(F)c2)cnn1C(C)C Fc1cccc(c1)[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@@H](C)C[*:1]
Cc1c(C(=O)N[C@@H](C)Cc2cccc(F)c2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H](C)Cc1cccc(F)c1
Cc1c(C(=O)N2CC[C@H](C)[C@H](O)C2)nnn1-c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] Cc1c(nnn1[*:1])C(=O)N1CC[C@H](C)[C@H](O)C1
C[N+](C)(CCNC(=O)c1ccc(/C=N/O)nc1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[N+](C)(CCNC(=O)c1ccc(/C=N/O)nc1)[*:1]
C[N+](C)(CCNC(=O)c1ccc(/C=N/O)nc1)Cc1ccccc1 ON=C[*:1] C[N+](C)(CCNC(=O)c1ccc(nc1)[*:1])Cc1ccccc1
C[N+](C)(CCNC(=O)c1ccc(/C=N/O)nc1)Cc1ccccc1 c1ccc(cc1)[*:1] C[N+](C)(CCNC(=O)c1ccc(/C=N/O)nc1)C[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)NCCCOC2CCOCC2)c1 C1CC(CCO1)[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)NCCCO[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)NCCCOC2CCOCC2)c1 C1CC(CCO1)O[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)NCCC[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)NCCCOC2CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(NCCCOC1CCOCC1)N1CCC[C@H]1[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)NCCCOC2CCOCC2)c1 C1CC(CCO1)OC[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)NCC[*:1]
O=S(=O)(c1ccc(N[C@H]2CCCC[C@H]2n2cccn2)cc1)C(F)F c1cnn(c1)[*:1] O=S(=O)(c1ccc(cc1)N[C@H]1CCCC[C@@H]1[*:1])C(F)F
O=S(=O)(c1ccc(N[C@H]2CCCC[C@H]2n2cccn2)cc1)C(F)F FC(F)[*:1] O=S(=O)(c1ccc(cc1)N[C@H]1CCCC[C@H]1n1cccn1)[*:1]
O=S(=O)(c1ccc(N[C@H]2CCCC[C@H]2n2cccn2)cc1)C(F)F O=S(=O)(C(F)F)[*:1] c1cnn(c1)[C@@H]1CCCC[C@@H]1Nc1ccc(cc1)[*:1]
CC(C)(C)NCc1nc2cc(Cl)ccc2c(=O)[nH]1 CC(C)(C)[*:1] O=c1[nH]c(CN[*:1])nc2cc(Cl)ccc12
CC(C)(C)NCc1nc2cc(Cl)ccc2c(=O)[nH]1 CC(C)(C)N[*:1] O=c1[nH]c(C[*:1])nc2cc(Cl)ccc12
CC(C)(C)NCc1nc2cc(Cl)ccc2c(=O)[nH]1 CC(C)(C)NC[*:1] O=c1[nH]c(nc2cc(Cl)ccc12)[*:1]
Cc1nccn1-c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 Cc1nccn1[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(nc1)[*:1]
Cc1nccn1-c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 O=[N+]([O-])[*:1] Cc1nccn1-c1ccc(cn1)[N-]S(=O)(=O)c1ccccc1[*:1]
C[C@@H](NC(=O)CCCc1nc2ccccc2o1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCCc1nc2ccccc2o1)[*:1]
O=C(NCc1ccc(C(=O)[O-])o1)Nc1ccc(F)c(Cl)c1 O=C([O-])[*:1] O=C(NCc1ccc(o1)[*:1])Nc1ccc(F)c(Cl)c1
C=CCn1c(C)c(C)n2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 C=CC[*:1] CC(=O)[C@H](C)n1c(=O)c2c(nc3n(c(C)c(C)n23)[*:1])n(C)c1=O
C=CCn1c(C)c(C)n2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 CC(=O)[*:1] C=CCn1c(C)c(C)n2c3c(=O)n(c(=O)n(C)c3nc12)[C@@H](C)[*:1]
C=CCn1c(C)c(C)n2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 CC(=O)[C@H](C)[*:1] C=CCn1c(C)c(C)n2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C Clc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C O=C(Nc1ccc(Cl)cc1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
CN(C)C(=O)CN(C)C(=O)c1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CN(C)C(=O)CN(C)C(=O)c1ccn(n1)[*:1]
CN(C)C(=O)CN(C)C(=O)c1ccn(-c2ccccc2)n1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)c1ccn(n1)-c1ccccc1
CN(C)C(=O)CN(C)C(=O)c1ccn(-c2ccccc2)n1 CN(C)C(=O)C[*:1] CN(C(=O)c1ccn(n1)-c1ccccc1)[*:1]
O=C(Nc1ccnc2ccccc12)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccnc2ccccc12)c1cccc(c1)[*:1]
CCOCCN(C)C(=O)N[C@@H](C)c1ccccc1C CCOCC[*:1] Cc1ccccc1[C@H](C)NC(=O)N(C)[*:1]
CCOCCN(C)C(=O)N[C@@H](C)c1ccccc1C CCO[*:1] Cc1ccccc1[C@H](C)NC(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)N[C@@H](C)c1ccccc1C CCOC[*:1] Cc1ccccc1[C@H](C)NC(=O)N(C)C[*:1]
COc1ccccc1NC(=O)Nc1nnc(CC(=O)N2CCOCC2)s1 O=C(N1CCOCC1)[*:1] COc1ccccc1NC(=O)Nc1nnc(C[*:1])s1
COc1ccccc1NC(=O)Nc1nnc(CC(=O)N2CCOCC2)s1 COc1ccccc1[*:1] O=C(Nc1nnc(CC(=O)N2CCOCC2)s1)N[*:1]
CCC[C@@H](NC(=O)[C@H](C)Sc1nccn1C)c1ccccc1 Cn1ccnc1S[*:1] CCC[C@@H](NC(=O)[C@H](C)[*:1])c1ccccc1
CCC[C@@H](NC(=O)[C@H](C)Sc1nccn1C)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](NC(=O)[C@H](C)Sc1nccn1C)[*:1]
CCC[C@@H](NC(=O)[C@H](C)Sc1nccn1C)c1ccccc1 Cn1ccnc1[*:1] CCC[C@@H](NC(=O)[C@H](C)S[*:1])c1ccccc1
CCC[C@@H](NC(=O)[C@H](C)Sc1nccn1C)c1ccccc1 CCC[*:1] C[C@H](Sc1nccn1C)C(=O)N[C@@H](c1ccccc1)[*:1]
COc1ncccc1CNC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 COc1ncccc1C[*:1] O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N[*:1]
COc1ncccc1CNC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 COc1ncccc1[*:1] O=C(NC[*:1])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
Cc1noc(C)c1[C@H](C)NC(=O)CCCc1ccc2c(c1)CC(=O)N2 Cc1noc(C)c1[*:1] C[C@H](NC(=O)CCCc1ccc2NC(=O)Cc2c1)[*:1]
CC1CCC(N(C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 NC(=O)[*:1] CC1CCC(CC1)N(C)C(=O)Nc1ccc(cc1)[*:1]
CC1CCC(N(C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 CC1CCC(CC1)[*:1] CN(C(=O)Nc1ccc(cc1)C(N)=O)[*:1]
O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)[*:1]
O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)C[*:1]
O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1 Fc1ccc(cc1)C[*:1] O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(Cl)cc1)[*:1]
O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(Cl)cc1)C[*:1]
C=C(C)C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C C=C(C)[*:1] C[NH2+][C@H](Cc1ccc(F)cc1Cl)C[*:1]
C=C(C)C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C C=C(C)C[*:1] C[NH2+][C@H](Cc1ccc(F)cc1Cl)[*:1]
Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=[NH+]\c2ccc(F)c(F)c2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])c1cc2ccc(O)cc2o/c1=[NH+]\c1ccc(F)c(F)c1
Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=[NH+]\c2ccc(F)c(F)c2)nc1 Cc1ccc(nc1)NC(=O)[*:1] Oc1ccc2cc(/c(=[NH+]/c3ccc(F)c(F)c3)oc2c1)[*:1]
CCc1ccc([C@H](C)C(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1 CCc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCC(CC1)C(=O)Nc1nncs1)[*:1]
CCc1ccc([C@H](C)C(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1 O=C(Nc1nncs1)[*:1] CCc1ccc(cc1)[C@H](C)C(=O)N1CCC(CC1)[*:1]
CCc1ccc([C@H](C)C(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1 c1nnc(s1)[*:1] CCc1ccc(cc1)[C@H](C)C(=O)N1CCC(CC1)C(=O)N[*:1]
CCc1nnc(SCC(=O)Nc2cc(Cl)c(OC)cc2OC)o1 CCc1nnc(o1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)CS[*:1]
Fc1cccnc1N1CCN(c2ncccc2C(F)(F)F)CC1 Fc1cccnc1[*:1] FC(F)(F)c1cccnc1N1CCN(CC1)[*:1]
Fc1cccnc1N1CCN(c2ncccc2C(F)(F)F)CC1 FC(F)(F)[*:1] Fc1cccnc1N1CCN(CC1)c1ncccc1[*:1]
C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccs1 c1csc(c1)[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2ccc3OCCOc3c2)[C@H]1[*:1]
C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccs1 c1cc2OCCOc2cc1[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccs1
O=C(N[C@@H]1CCCC[C@@H]1O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1O)N[C@@H]1C[C@H]1[*:1]
O=C(N[C@@H]1CCCC[C@@H]1O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 O[C@H]1CCCC[C@H]1[*:1] O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N[*:1]
O=C(c1cc(F)cc(F)c1)N1CCC[C@H](c2cc3ccccc3cn2)C1 Fc1cc(F)cc(c1)[*:1] O=C(N1CCC[C@@H](C1)c1cc2ccccc2cn1)[*:1]
C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 FC(F)(F)[*:1] C[C@@H](NC(=O)Cc1cccc(c1)[*:1])c1cccc(Cl)c1
C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)Cc1cccc(c1)C(F)(F)F)[*:1]
O=C(CCc1ccco1)N[C@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(CCc1ccco1)N[C@H]1CCCCC[C@@H]1[*:1]
O=C(CCc1ccco1)N[C@H]1CCCCC[C@H]1C(=O)[O-] c1coc(c1)C[*:1] O=C(C[*:1])N[C@H]1CCCCC[C@H]1C(=O)[O-]
O=C(CCc1ccco1)N[C@H]1CCCCC[C@H]1C(=O)[O-] c1coc(c1)[*:1] O=C(CC[*:1])N[C@H]1CCCCC[C@H]1C(=O)[O-]
CSc1ccc(C(=O)c2ccccc2CN2CCOCC2)cc1 C1CN(CCO1)[*:1] CSc1ccc(cc1)C(=O)c1ccccc1C[*:1]
CSc1ccc(C(=O)c2ccccc2CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CSc1ccc(cc1)C(=O)c1ccccc1[*:1]
c1c[nH+]c(N2CCOCC2)c(CNCc2ccsc2)c1 c1cc(cs1)[*:1] c1c[nH+]c(c(c1)CNC[*:1])N1CCOCC1
c1c[nH+]c(N2CCOCC2)c(CNCc2ccsc2)c1 C1CN(CCO1)[*:1] c1c[nH+]c(c(c1)CNCc1ccsc1)[*:1]
c1c[nH+]c(N2CCOCC2)c(CNCc2ccsc2)c1 c1cc(cs1)C[*:1] c1c[nH+]c(c(c1)CN[*:1])N1CCOCC1
Cc1ccsc1CNC(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)OC[*:1] Cc1ccsc1CNC(=O)Nc1ccc(cc1)[*:1]
Cc1ccsc1CNC(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccsc1CNC(=O)Nc1ccc(cc1)CO[*:1]
Cc1ccsc1CNC(=O)Nc1ccc(COC(C)(C)C)cc1 Cc1ccsc1C[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)N[*:1]
Cc1ccsc1CNC(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)O[*:1] Cc1ccsc1CNC(=O)Nc1ccc(cc1)C[*:1]
Cc1ccsc1CNC(=O)Nc1ccc(COC(C)(C)C)cc1 Cc1ccsc1[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)NC[*:1]
CC(=O)[C@@H]1[C@@H](c2ccccc2)c2c(n[nH]c2C)C[C@]1(C)O c1ccc(cc1)[*:1] CC(=O)[C@@H]1[C@@H](c2c(C[C@]1(C)O)n[nH]c2C)[*:1]
CC(=O)[C@@H]1[C@@H](c2ccccc2)c2c(n[nH]c2C)C[C@]1(C)O CC(=O)[*:1] Cc1[nH]nc2C[C@](C)(O)[C@@H]([C@@H](c3ccccc3)c21)[*:1]
COC(=O)c1cncc(N2CCN(C)C(=O)C2)n1 COC(=O)[*:1] CN1CCN(CC1=O)c1cncc(n1)[*:1]
C[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)[C@H](C)c1ccccc1 CN1CC[C@H](C1=O)[*:1] C[C@@H](NC(=O)N[*:1])[C@H](C)c1ccccc1
C[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)[C@H](C)[*:1]
CN(CCC#N)Cc1ccccc1OCC(F)(F)F N#CC[*:1] CN(Cc1ccccc1OCC(F)(F)F)C[*:1]
CN(CCC#N)Cc1ccccc1OCC(F)(F)F FC(F)(F)C[*:1] CN(CCC#N)Cc1ccccc1O[*:1]
CN(CCC#N)Cc1ccccc1OCC(F)(F)F FC(F)(F)[*:1] CN(CCC#N)Cc1ccccc1OC[*:1]
CN(CCC#N)Cc1ccccc1OCC(F)(F)F FC(F)(F)CO[*:1] CN(CCC#N)Cc1ccccc1[*:1]
CN(CCC#N)Cc1ccccc1OCC(F)(F)F N#CCC[*:1] CN(Cc1ccccc1OCC(F)(F)F)[*:1]
CN(CCC#N)Cc1ccccc1OCC(F)(F)F CN(CCC#N)[*:1] FC(F)(F)COc1ccccc1C[*:1]
CN(CCOCC1CC1)c1nccnc1C[NH3+] C1CC1CO[*:1] CN(CC[*:1])c1nccnc1C[NH3+]
CN(CCOCC1CC1)c1nccnc1C[NH3+] C1CC1C[*:1] CN(CCO[*:1])c1nccnc1C[NH3+]
CN(CCOCC1CC1)c1nccnc1C[NH3+] C1CC1[*:1] CN(CCOC[*:1])c1nccnc1C[NH3+]
CCOC(=O)c1sccc1NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O CCOC(=O)[*:1] Cc1cc(=O)n(CC(=O)Nc2ccsc2[*:1])c(n1)-c1ccc(F)cc1
CCOC(=O)c1sccc1NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O Fc1ccc(cc1)[*:1] CCOC(=O)c1sccc1NC(=O)Cn1c(nc(C)cc1=O)[*:1]
CC1CC[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)CC1 C1CN(CCO1)C[*:1] CC1CC[NH+](CC1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
CC1CC[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)CC1 C1CN(CCO1)CC[*:1] CC1CC[NH+](CC1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
CC1CC[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)CC1 C1CN(CCO1)[*:1] CC1CC[NH+](CC1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC[*:1]
COc1ccc2c(c1)CCC/C(=C\N(C)C)C2=O CN(C)[*:1] COc1ccc2C(=O)C(=C[*:1])CCCc2c1
CCC[NH2+][C@@H]1[C@H](Sc2nc(C)cs2)CCCC1(C)C Cc1csc(n1)[*:1] CCC[NH2+][C@@H]1[C@@H](CCCC1(C)C)S[*:1]
CCC[NH2+][C@@H]1[C@H](Sc2nc(C)cs2)CCCC1(C)C CCC[*:1] Cc1csc(n1)S[C@@H]1CCCC(C)(C)[C@@H]1[NH2+][*:1]
Cc1cccc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cn2)c1 Cc1ccc(cc1Cl)[*:1] Cc1cccc(c1)-c1ccc(cn1)C(=O)N[*:1]
Cc1cccc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cn2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)c1ccc(nc1)[*:1]
CCCCNC(=O)c1c(N2CCCC2=O)c2cc(F)ccc2n1C CCCC[*:1] Cn1c(C(=O)N[*:1])c(c2cc(F)ccc21)N1CCCC1=O
CCCCNC(=O)c1c(N2CCCC2=O)c2cc(F)ccc2n1C O=C1CCCN1[*:1] CCCCNC(=O)c1c(c2cc(F)ccc2n1C)[*:1]
CCCCNC(=O)c1c(N2CCCC2=O)c2cc(F)ccc2n1C CCCCNC(=O)[*:1] Cn1c(c(c2cc(F)ccc21)N1CCCC1=O)[*:1]
CCCCNC(=O)c1c(N2CCCC2=O)c2cc(F)ccc2n1C CCC[*:1] Cn1c(C(=O)NC[*:1])c(c2cc(F)ccc21)N1CCCC1=O
O=C(c1ccccc1I)N(Cc1ccccc1)c1ccccn1 Ic1ccccc1[*:1] O=C(N(Cc1ccccc1)c1ccccn1)[*:1]
O=C(c1ccccc1I)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(c1ccccc1I)N(C[*:1])c1ccccn1
O=C(c1ccccc1I)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)C[*:1] O=C(c1ccccc1I)N(c1ccccn1)[*:1]
O=C(c1ccccc1I)N(Cc1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(c1ccccc1I)N(Cc1ccccc1)[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)/C=C/C2CC2)C1 C(=C[*:1])C1CC1 CC[C@@H]1CCC[C@H](C1)NC(=O)[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)/C=C/C2CC2)C1 C1CC1[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)C=C[*:1]
C[C@H]1N=C2C(F)=CC=C[C@H]2[C@@H]1CC(=O)NCCCc1csc(N)n1 Nc1nc(cs1)C[*:1] C[C@H]1N=C2C(F)=CC=C[C@H]2[C@@H]1CC(=O)NCC[*:1]
C[C@H]1N=C2C(F)=CC=C[C@H]2[C@@H]1CC(=O)NCCCc1csc(N)n1 Nc1nc(cs1)[*:1] C[C@H]1N=C2C(F)=CC=C[C@H]2[C@@H]1CC(=O)NCCC[*:1]
C[C@H]1N=C2C(F)=CC=C[C@H]2[C@@H]1CC(=O)NCCCc1csc(N)n1 Nc1nc(cs1)CC[*:1] C[C@H]1N=C2C(F)=CC=C[C@H]2[C@@H]1CC(=O)NC[*:1]
C[NH+](CCn1c(=O)oc2cccnc21)CC1(O)CCCC1 OC1(CCCC1)C[*:1] C[NH+](CCn1c(=O)oc2cccnc21)[*:1]
C[NH+](CCn1c(=O)oc2cccnc21)CC1(O)CCCC1 OC1(CCCC1)[*:1] C[NH+](CCn1c(=O)oc2cccnc21)C[*:1]
Cc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 O=C1CCC(=O)N1[*:1] Cc1ccc(cc1)[C@H]1C[C@H](c2ccc(F)cc2)n2nc(nc2N1)[*:1]
Cc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1C[C@H](n2nc(nc2N1)N1C(=O)CCC1=O)[*:1]
Cc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 Cc1ccc(cc1)[*:1] O=C1CCC(=O)N1c1nc2N[C@H](C[C@H](c3ccc(F)cc3)n2n1)[*:1]
Cc1ccc([C@H]2CSCCN2Cc2noc(-c3ccoc3)n2)o1 Cc1ccc(o1)[*:1] c1cc(co1)-c1nc(CN2CCSC[C@@H]2[*:1])no1
Cc1ccc([C@H]2CSCCN2Cc2noc(-c3ccoc3)n2)o1 c1cc(co1)[*:1] Cc1ccc(o1)[C@H]1CSCCN1Cc1noc(n1)[*:1]
O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(NC1CCCCC1)[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)Cc1ccccc1Cl
O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 Clc1ccccc1C[*:1] O=C(NC1CCCCC1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
C[NH+](CC(=O)NCc1ccco1)C1CCC([NH3+])CC1 c1coc(c1)C[*:1] C[NH+](CC(=O)N[*:1])C1CCC([NH3+])CC1
C[NH+](CC(=O)NCc1ccco1)C1CCC([NH3+])CC1 c1coc(c1)[*:1] C[NH+](CC(=O)NC[*:1])C1CCC([NH3+])CC1
CCC1CCC(NC(=O)c2cccc(N3CCCC3=O)c2)CC1 O=C1CCCN1[*:1] CCC1CCC(CC1)NC(=O)c1cccc(c1)[*:1]
Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c([N+](=O)[O-])cc1C O=C1c2ccccc2C(=O)N1[*:1] Cc1cc(NC(=O)COC(=O)c2cccc(c2)[*:1])c(cc1C)[N+](=O)[O-]
Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c([N+](=O)[O-])cc1C Cc1cc(c(cc1C)[*:1])[N+](=O)[O-] O=C(COC(=O)c1cccc(c1)N1C(=O)c2ccccc2C1=O)N[*:1]
Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1cc(NC(=O)COC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)c(cc1C)[*:1]
Cc1ccccc1-n1ncc([C@@H](C)NC(=O)Nc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1ccccc1-n1ncc(c1C)[C@@H](C)NC(=O)N[*:1]
Cc1ccccc1-n1ncc([C@@H](C)NC(=O)Nc2ccccc2)c1C Cc1ccccc1[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC(=O)Nc1ccccc1
COc1cccc(/C=C2\N=C(c3cccc(Cl)c3Cl)OC2=O)c1OC Clc1cccc(c1Cl)[*:1] COc1cccc(/C=C2\N=C(OC2=O)[*:1])c1OC
CC(=O)c1ccc(OS(=O)(=O)c2cccs2)cc1 CC(=O)[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1cccs1
CC(=O)c1ccc(OS(=O)(=O)c2cccs2)cc1 c1csc(c1)[*:1] CC(=O)c1ccc(cc1)OS(=O)(=O)[*:1]
N#CCN(Cc1ccccc1-n1cccn1)C1CCCC1 N#CC[*:1] c1ccc(c(c1)CN(C1CCCC1)[*:1])-n1cccn1
N#CCN(Cc1ccccc1-n1cccn1)C1CCCC1 c1cnn(c1)[*:1] N#CCN(Cc1ccccc1[*:1])C1CCCC1
N#CCN(Cc1ccccc1-n1cccn1)C1CCCC1 C1CCC(C1)[*:1] N#CCN(Cc1ccccc1-n1cccn1)[*:1]
CCOc1cccc(C(=O)N2C[C@@H](C)c3ccccc32)c1 CCO[*:1] C[C@@H]1CN(C(=O)c2cccc(c2)[*:1])c2ccccc21
CC(C)NC(=O)c1ccc(OCC2CCN(C(=O)C3CCCC3)CC2)cc1 CC(C)[*:1] O=C(N[*:1])c1ccc(cc1)OCC1CCN(CC1)C(=O)C1CCCC1
CC(C)NC(=O)c1ccc(OCC2CCN(C(=O)C3CCCC3)CC2)cc1 C1CCC(C1)[*:1] CC(C)NC(=O)c1ccc(cc1)OCC1CCN(CC1)C(=O)[*:1]
CC(C)NC(=O)c1ccc(OCC2CCN(C(=O)C3CCCC3)CC2)cc1 CC(C)NC(=O)[*:1] O=C(C1CCCC1)N1CCC(CC1)COc1ccc(cc1)[*:1]
Cc1cc2ncc([C@@H](C)NC[C@@](C)(O)c3ccc(C)o3)c(C)n2n1 Cc1ccc(o1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)NC[C@@](C)(O)[*:1]
CCOc1cccc(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 CCOc1cccc(c1)[*:1] O=C(N[*:1])N1CCC(CC1)OCc1ccc(F)cc1
CCOc1cccc(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)CO[*:1] CCOc1cccc(c1)NC(=O)N1CCC(CC1)[*:1]
CCOc1cccc(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)C[*:1] CCOc1cccc(c1)NC(=O)N1CCC(CC1)O[*:1]
CCOc1cccc(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] CCOc1cccc(c1)NC(=O)N1CCC(CC1)OC[*:1]
CCOc1cccc(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 CCO[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
Cn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)cn1 Cn1cc(cn1)[*:1] O=C1[C@H]2CC[C@H](CN(C2)S(=O)(=O)[*:1])N1Cc1ccccn1
Cn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)cn1 c1ccc(C[*:1])nc1 Cn1cc(cn1)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
Cn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)cn1 c1ccc(nc1)[*:1] Cn1cc(cn1)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
CCOC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 c1ccc(cc1)C[*:1] CCOC(=O)Cn1c(=O)n(C[*:1])c(=O)c2c3CC(C)(C)OCc3sc21
CCOC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 c1ccc(cc1)[*:1] CCOC(=O)Cn1c(=O)n(CC[*:1])c(=O)c2c3CC(C)(C)OCc3sc21
CCOC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 CCOC(=O)[*:1] CC1(C)Cc2c(CO1)sc1c2c(=O)n(CCc2ccccc2)c(=O)n1C[*:1]
CCOC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 c1ccc(cc1)CC[*:1] CCOC(=O)Cn1c(=O)n(c(=O)c2c3CC(C)(C)OCc3sc21)[*:1]
CCOC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 CCOC(=O)C[*:1] CC1(C)Cc2c(CO1)sc1c2c(=O)n(CCc2ccccc2)c(=O)n1[*:1]
CC[C@H](NC(=O)N(C)C(C)C)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)CO[*:1] CC[C@H](NC(=O)N(C)C(C)C)c1ccccc1[*:1]
CC[C@H](NC(=O)N(C)C(C)C)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)C[*:1] CC[C@H](NC(=O)N(C)C(C)C)c1ccccc1O[*:1]
CC[C@H](NC(=O)N(C)C(C)C)c1ccccc1OCC(=O)N(C)C CC(C)N(C)C(=O)N[*:1] CC[C@H](c1ccccc1OCC(=O)N(C)C)[*:1]
CC[C@H](NC(=O)N(C)C(C)C)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)[*:1] CC[C@H](NC(=O)N(C)C(C)C)c1ccccc1OC[*:1]
CC[C@H](NC(=O)N(C)C(C)C)c1ccccc1OCC(=O)N(C)C CC(C)[*:1] CC[C@H](NC(=O)N(C)[*:1])c1ccccc1OCC(=O)N(C)C
Cc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c(C)s1 O=[N+]([O-])[*:1] Cc1cc(C(=O)Nc2n[nH]c3ccc(cc23)[*:1])c(C)s1
Cc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
CC[C@@H](C)CN(C)C(=O)c1ccc(F)cc1Br CC[C@@H](C)[*:1] CN(C[*:1])C(=O)c1ccc(F)cc1Br
CC[C@@H](C)CN(C)C(=O)c1ccc(F)cc1Br CC[C@@H](C)C[*:1] CN(C(=O)c1ccc(F)cc1Br)[*:1]
Cn1cc(CCC(=O)Nc2c(F)cccc2Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] Cn1cc(cn1)CCC(=O)Nc1c(F)cccc1[*:1]
Cn1cc(CCC(=O)Nc2c(F)cccc2Oc2ccccc2)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])Nc1c(F)cccc1Oc1ccccc1
Cn1cc(CCC(=O)Nc2c(F)cccc2Oc2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)CCC(=O)Nc1c(F)cccc1O[*:1]
Cn1cc(CCC(=O)Nc2c(F)cccc2Oc2ccccc2)cn1 Cn1cc(cn1)C[*:1] O=C(C[*:1])Nc1c(F)cccc1Oc1ccccc1
Cn1cc(CCC(=O)Nc2c(F)cccc2Oc2ccccc2)cn1 Cn1cc(cn1)CC[*:1] O=C(Nc1c(F)cccc1Oc1ccccc1)[*:1]
Cc1ccccc1[C@@H]([NH2+]C[C@@H]1[NH+]=c2ccc(C)c(C)c2=[NH+]1)c1ccncc1 Cc1ccccc1[*:1] Cc1ccc2=[NH+][C@@H](C[NH2+][C@@H](c3ccncc3)[*:1])[NH+]=c2c1C
Cc1ccccc1[C@@H]([NH2+]C[C@@H]1[NH+]=c2ccc(C)c(C)c2=[NH+]1)c1ccncc1 c1cc(ccn1)[*:1] Cc1ccccc1[C@@H]([NH2+]C[C@@H]1[NH+]=c2ccc(C)c(C)c2=[NH+]1)[*:1]
C[NH+](C)C1(CNCc2cc(Cl)cs2)CCCCC1 Clc1csc(c1)[*:1] C[NH+](C)C1(CCCCC1)CNC[*:1]
COc1c(C)cc(C[NH+]2CCC(C(=O)NC(C)C)CC2)cc1C CC(C)[*:1] COc1c(C)cc(cc1C)C[NH+]1CCC(CC1)C(=O)N[*:1]
COc1c(C)cc(C[NH+]2CCC(C(=O)NC(C)C)CC2)cc1C CC(C)NC(=O)[*:1] COc1c(C)cc(cc1C)C[NH+]1CCC(CC1)[*:1]
O=S(=O)(NCCSCc1c(F)cccc1Cl)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=S(=O)(NCCSCc1c(F)cccc1Cl)[*:1]
O=S(=O)(NCCSCc1c(F)cccc1Cl)c1c(F)cccc1F Fc1cccc(Cl)c1[*:1] O=S(=O)(NCCSC[*:1])c1c(F)cccc1F
N#Cc1ccc(N2CCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#Cc1ccc(cc1[*:1])N1CCC[C@@H]1CC(=O)[O-]
N#Cc1ccc(N2CCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] O=C([O-])C[*:1] N#Cc1ccc(cc1[N+](=O)[O-])N1CCC[C@H]1[*:1]
N#Cc1ccc(N2CCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] O=C([O-])[*:1] N#Cc1ccc(cc1[N+](=O)[O-])N1CCC[C@@H]1C[*:1]
COCC[C@H](C)C(=O)Nc1ccc(C)c(I)c1 COCC[*:1] Cc1ccc(cc1I)NC(=O)[C@@H](C)[*:1]
COCC[C@H](C)C(=O)Nc1ccc(C)c(I)c1 COC[*:1] Cc1ccc(cc1I)NC(=O)[C@@H](C)C[*:1]
CC(C)n1cnnc1[S@](=O)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C CC(C)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[S@@](=O)c1nncn1[*:1]
CC(C)n1cnnc1[S@](=O)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@@H]1[*:1] CC(C)n1cnnc1[S@](=O)[C@H](C)C(=O)N[*:1]
FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cl)C1 FC(F)(F)C[*:1] Clc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C1)O[*:1]
FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cl)C1 Clc1ccccc1[*:1] FC(F)(F)CO[C@H]1CCC[C@H](C1)[NH2+]C[*:1]
FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cl)C1 FC(F)(F)CO[*:1] Clc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C1)[*:1]
FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cl)C1 FC(F)(F)[*:1] Clc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C1)OC[*:1]
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1 c1nnnn1[*:1] CCC(C)(C)NC(=O)c1ccc(cc1)NC(=O)c1ccccc1[*:1]
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1 CCC(C)(C)NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1-n1cnnn1
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1 CCC(C)(C)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1ccccc1-n1cnnn1
NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 FC(F)(F)[*:1] NNC(=O)c1cc2N[C@@H](C[C@H](n2n1)[*:1])c1ccc(F)cc1
NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 NNC(=O)[*:1] Fc1ccc(cc1)[C@@H]1C[C@@H](n2nc(cc2N1)[*:1])C(F)(F)F
NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 Fc1ccc(cc1)[*:1] NNC(=O)c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
Cc1c(N2C(=N)S/C(=C\c3cccnc3)C2=O)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(c(=O)n(n1C)[*:1])N1C(=N)S/C(=C\c2cccnc2)C1=O
Cc1c(N2C(=N)S/C(=C\c3cccnc3)C2=O)c(=O)n(-c2ccccc2)n1C c1cncc(c1)[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)N1C(=N)SC(=C[*:1])C1=O
O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC[C@@H]1CCC[C@@H]1O Fc1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])NC[C@@H]1CCC[C@@H]1O
CC(C)(C)N1C(=O)c2ccc(C(F)(F)F)cc2[C@H]1O FC(F)(F)[*:1] CC(C)(C)N1C(=O)c2ccc(cc2[C@H]1O)[*:1]
CC(C)(C)N1C(=O)c2ccc(C(F)(F)F)cc2[C@H]1O CC(C)(C)[*:1] O=C1c2ccc(cc2[C@@H](O)N1[*:1])C(F)(F)F
C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@@H]([NH2+]Cc1cccc2OCCOc12)c1ccc(cc1)[*:1]
C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 c1cc(cs1)[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1
C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 c1cc(cs1)C[*:1] C[C@H]([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)[*:1]
C[C@@H](C[NH3+])C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@H](C[NH3+])C(=O)N[C@@](C)(C(=O)[O-])[*:1]
C[C@@H](C[NH3+])C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@H](C[NH3+])C(=O)N[C@@](C)(C(F)(F)F)[*:1]
COc1ccccc1CNC(=O)CSc1nnc(-c2cccs2)n1N c1csc(c1)[*:1] COc1ccccc1CNC(=O)CSc1nnc(n1N)[*:1]
COc1ccccc1CNC(=O)CSc1nnc(-c2cccs2)n1N COc1ccccc1[*:1] Nn1c(nnc1-c1cccs1)SCC(=O)NC[*:1]
CCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] CCNC(=O)N1CC[C@@H]([C@H]1C)[*:1]
O=C(C=C1CCSCC1)N[C@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] O=C(C=C1CCSCC1)N[C@H](c1ccccc1F)[*:1]
O=C(C=C1CCSCC1)N[C@H](c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] O=C(C=C1CCSCC1)N[C@H](C1CCCC1)[*:1]
C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1 CCO[*:1] C=CCNC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1 C=CC[*:1] CCOc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1 C=CCNC(=O)[*:1] CCOc1ccc(cc1)N1C[C@@H](CC1=O)[*:1]
Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)n[nH]1 FC(F)(F)[*:1] Cc1cc(n[nH]1)-c1nc(no1)-c1ccc(cc1)[*:1]
Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)n[nH]1 Cc1cc(n[nH]1)[*:1] FC(F)(F)c1ccc(cc1)-c1noc(n1)[*:1]
Cc1noc(CNC(=O)N2CCc3cc(Br)sc3C2)n1 Cc1noc(n1)[*:1] O=C(NC[*:1])N1CCc2cc(Br)sc2C1
CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)c1cccc(c1)C[NH+](C)C)[C@@H]1CCC[C@H]1[*:1]
CCOC(=O)c1cc2c(cc1Br)OCCO2 CCOC(=O)[*:1] Brc1cc2OCCOc2cc1[*:1]
O=C(Cl)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 O=C(Cl)[*:1] O=S(=O)(c1cc(ccc1Cl)[*:1])N1CCCCCC1
COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cncc(C)c1 Cc1cncc(c1)[*:1] COc1ccccc1[C@@H]1C[C@H]1C(=O)N[*:1]
CCCC[NH2+]Cc1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] CCCC[NH2+]Cc1cccc(c1)O[*:1]
CCCC[NH2+]Cc1cccc(Oc2ccccc2)c1 CCC[*:1] c1ccc(cc1)Oc1cccc(c1)C[NH2+]C[*:1]
CCCC[NH2+]Cc1cccc(Oc2ccccc2)c1 CCCC[*:1] c1ccc(cc1)Oc1cccc(c1)C[NH2+][*:1]
CC(=O)Nc1nc2cc(NC(=O)CCC(=O)N3CCCCCC3)ccc2s1 CC(=O)N[*:1] O=C(CCC(=O)N1CCCCCC1)Nc1ccc2sc(nc2c1)[*:1]
CC(=O)Nc1nc2cc(NC(=O)CCC(=O)N3CCCCCC3)ccc2s1 O=C(N1CCCCCC1)[*:1] CC(=O)Nc1nc2cc(ccc2s1)NC(=O)CC[*:1]
CC(C)(CCl)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 O=S1(=O)CCCN1[*:1] CC(C)(CCl)C(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(C)(CCl)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 CC(C)(CCl)[*:1] O=C(Nc1ccc(Cl)c(c1)N1CCCS1(=O)=O)[*:1]
COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccccc2C)c1 Cc1ccccc1[*:1] COc1ccc(O)c(/C=C(\C#N)C(=O)N[*:1])c1
Cc1cc(Cl)ccc1Oc1cc(C)c(N)c(C(=O)[O-])c1 O=C([O-])[*:1] Cc1cc(Cl)ccc1Oc1cc(C)c(N)c(c1)[*:1]
Cc1cc(NC(=O)NNc2nc(-c3ccncc3)no2)nn1C Cc1cc(nn1C)[*:1] O=C(NNc1nc(no1)-c1ccncc1)N[*:1]
Cc1cc(NC(=O)NNc2nc(-c3ccncc3)no2)nn1C c1cc(ccn1)[*:1] Cc1cc(nn1C)NC(=O)NNc1nc(no1)[*:1]
COC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1 COC(=O)[*:1] C[C@@H]([C@@H](C)[NH2+]Cc1ccccc1)[*:1]
Cc1ccc(N(C)C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)CCn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCCC1)[*:1]
Cc1ccc(N(C)C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(cc1)N(C)C(=O)CCn1c(=O)oc2cc(ccc21)[*:1]
C[C@H](OC(=O)c1cc2cccc(Br)c2o1)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@H](OC(=O)c1cc2cccc(Br)c2o1)[*:1]
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCCO O=C(NCCO)N[*:1] Cc1cc(ccc1[*:1])O[C@@H](C)c1ccccc1
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCCO c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)NCCO)O[C@@H](C)[*:1]
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCCO OCC[*:1] Cc1cc(ccc1NC(=O)N[*:1])O[C@@H](C)c1ccccc1
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](c1ccccc1)c1nccn1C Cn1ccnc1[*:1] Cc1ccc(cc1C(=O)N[C@@H](c1ccccc1)[*:1])S(=O)(=O)N1CCCCC1
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](c1ccccc1)c1nccn1C O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1C(=O)N[C@@H](c1ccccc1)c1nccn1C)[*:1]
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](c1ccccc1)c1nccn1C c1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N[C@@H](c1nccn1C)[*:1])S(=O)(=O)N1CCCCC1
O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3CC=CC[C@@H]3C2)o1 O=[N+]([O-])[*:1] C1=CC[C@@H]2C[NH+](Cc3ccc(o3)[*:1])C[C@H]2C1
COC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-c2ccccc2)CCO1 COC[*:1] O=C(Nc1ccccc1-c1ccccc1)C(=O)N1CCO[C@@H](C1)[*:1]
COC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-c2ccccc2)CCO1 c1ccc(cc1)[*:1] COC[C@@H]1CN(CCO1)C(=O)C(=O)Nc1ccccc1[*:1]
COc1cccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)c(C)c2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1C)-n1c(=O)c2cccnc2n1CC(=O)N[*:1]
COc1cccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] COc1cccc(c1)NC(=O)Cn1c2ncccc2c(=O)n1[*:1]
CC(=O)c1cc2cc(C)ccc2nc1Cl CC(=O)[*:1] Cc1ccc2nc(Cl)c(cc2c1)[*:1]
C[C@H](CC(=O)N[C@@H]1CCc2cc(N)ccc21)CC(C)(C)C CC(C)(C)[*:1] C[C@H](CC(=O)N[C@@H]1CCc2cc(N)ccc21)C[*:1]
C[C@H](CC(=O)N[C@@H]1CCc2cc(N)ccc21)CC(C)(C)C CC(C)(C)C[*:1] C[C@H](CC(=O)N[C@@H]1CCc2cc(N)ccc21)[*:1]
C[C@H](CC(=O)N[C@@H]1CCc2cc(N)ccc21)CC(C)(C)C C[C@H](CC(C)(C)C)[*:1] Nc1ccc2c(c1)CC[C@H]2NC(=O)C[*:1]
O=C1N(c2ccccc2)Cc2nc(=O)n(Cc3ccccc3)n21 c1ccc(cc1)[*:1] O=C1N(Cc2nc(=O)n(Cc3ccccc3)n21)[*:1]
O=C1N(c2ccccc2)Cc2nc(=O)n(Cc3ccccc3)n21 c1ccc(cc1)[*:1] O=C1N(Cc2nc(=O)n(C[*:1])n21)c1ccccc1
O=C1N(c2ccccc2)Cc2nc(=O)n(Cc3ccccc3)n21 c1ccc(cc1)C[*:1] O=C1N(Cc2nc(=O)n(n21)[*:1])c1ccccc1
CC(C)(C)OCc1cccc(CNC(=O)c2ccc(O)cc2O)c1 CC(C)(C)OC[*:1] O=C(NCc1cccc(c1)[*:1])c1ccc(O)cc1O
CC(C)(C)OCc1cccc(CNC(=O)c2ccc(O)cc2O)c1 CC(C)(C)[*:1] O=C(NCc1cccc(c1)CO[*:1])c1ccc(O)cc1O
CC(C)(C)OCc1cccc(CNC(=O)c2ccc(O)cc2O)c1 CC(C)(C)O[*:1] O=C(NCc1cccc(c1)C[*:1])c1ccc(O)cc1O
CC(C)(C)OCc1cccc(CNC(=O)c2ccc(O)cc2O)c1 Oc1ccc(c(O)c1)[*:1] CC(C)(C)OCc1cccc(c1)CNC(=O)[*:1]
C[C@@H]1CC(NC(=O)NCCOCC(=O)[O-])C[C@@H](C)C1 O=C([O-])CO[*:1] C[C@@H]1CC(C[C@@H](C)C1)NC(=O)NCC[*:1]
C[C@@H]1CC(NC(=O)NCCOCC(=O)[O-])C[C@@H](C)C1 O=C([O-])[*:1] C[C@@H]1CC(C[C@@H](C)C1)NC(=O)NCCOC[*:1]
C[C@@H]1CC(NC(=O)NCCOCC(=O)[O-])C[C@@H](C)C1 O=C([O-])COC[*:1] C[C@@H]1CC(C[C@@H](C)C1)NC(=O)NC[*:1]
C[C@@H]1CC(NC(=O)NCCOCC(=O)[O-])C[C@@H](C)C1 O=C([O-])C[*:1] C[C@@H]1CC(C[C@@H](C)C1)NC(=O)NCCO[*:1]
CC1CCN(S(=O)(=O)c2ccc(C(=O)O[C@@H](C)c3nc4ccccc4c(=O)[nH]3)cc2)CC1 CC1CCN(CC1)S(=O)(=O)[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])c1nc2ccccc2c(=O)[nH]1
O=C(CCc1nc(-c2cc(Br)cs2)no1)Nc1nc[nH]n1 c1nc(n[nH]1)[*:1] O=C(CCc1nc(no1)-c1cc(Br)cs1)N[*:1]
O=C(CCc1nc(-c2cc(Br)cs2)no1)Nc1nc[nH]n1 Brc1csc(c1)[*:1] O=C(CCc1nc(no1)[*:1])Nc1nc[nH]n1
CCO[C@@H](C)c1noc(CNC(=O)N2CCc3ccc(O)cc3C2)n1 CCO[*:1] C[C@@H](c1noc(CNC(=O)N2CCc3ccc(O)cc3C2)n1)[*:1]
O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Br Brc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)[*:1])Nc1ccccc1Br
O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N[*:1]
CC(C)c1cc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)on1 CC(C)c1cc(on1)[*:1] O=C1NC(=O)[C@@H](Cc2ccc(cc2)NC(=O)[*:1])N1
CC(C)c1cc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)on1 O=C1NC(=O)[C@@H](C[*:1])N1 CC(C)c1cc(on1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1cc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)on1 CC(C)[*:1] O=C1NC(=O)[C@@H](Cc2ccc(cc2)NC(=O)c2cc(no2)[*:1])N1
Cc1ccc(C)c(N2N=C(C(=O)N3CCC[C@@H](C(N)=O)C3)CCC2=O)c1 Cc1ccc(C)c(c1)[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)C1CCC(=O)N(N=1)[*:1]
Cc1ccc(C)c(N2N=C(C(=O)N3CCC[C@@H](C(N)=O)C3)CCC2=O)c1 NC(=O)[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)N1CCC[C@@H](C1)[*:1]
NC(=O)CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)OCC[*:1])C1(CCOCC1)c1ccccc1
NC(=O)CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 NC(=O)CC[*:1] O=C(Nc1ccc(cc1)O[*:1])C1(CCOCC1)c1ccccc1
NC(=O)CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 NC(=O)C[*:1] O=C(Nc1ccc(cc1)OC[*:1])C1(CCOCC1)c1ccccc1
NC(=O)CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 c1ccc(cc1)[*:1] NC(=O)CCOc1ccc(cc1)NC(=O)C1(CCOCC1)[*:1]
NC(=O)CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 NC(=O)CCO[*:1] O=C(Nc1ccc(cc1)[*:1])C1(CCOCC1)c1ccccc1
C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)sc2ccccc21 c1csc(c1)[*:1] C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(=O)(=O)[*:1])sc2ccccc21
C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)sc2ccccc21 C#CC[*:1] O=C(/N=c1\sc2ccccc2n1[*:1])[C@@H]1CCCCN1S(=O)(=O)c1cccs1
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(F)c1 NC(=O)[*:1] O=C(c1cccc(F)c1)N1Cc2ccccc2C[C@H]1[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
COc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1F c1cc2OCOc2cc1[*:1] COc1ccc(cc1F)[C@@H](C)NC(=O)CNC(=O)[*:1]
COc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1F COc1ccc(cc1F)[*:1] C[C@@H](NC(=O)CNC(=O)c1ccc2OCOc2c1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)[C@H]1CC12CCOCC2 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)[C@H]1CC12CCOCC2)[*:1]
CCC[C@](C)(CO)NC(=O)NCc1ccc2c(c1)OCCO2 CCC[*:1] C[C@](CO)(NC(=O)NCc1ccc2OCCOc2c1)[*:1]
COc1ccc(COCC[NH2+][C@H]2CCOc3ccc(F)cc32)cc1 COc1ccc(cc1)[*:1] Fc1ccc2OCC[C@H]([NH2+]CCOC[*:1])c2c1
Cn1ncc2c1CCC[C@H]2Nc1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] Cn1ncc2c1CCC[C@H]2Nc1cccc(c1)[*:1]
Cc1nn(C)c2ncc(NC(=O)N(C)[C@H](C)CS(C)(=O)=O)cc12 CS(=O)(=O)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)N(C)[C@H](C)C[*:1]
Cc1nn(C)c2ncc(NC(=O)N(C)[C@H](C)CS(C)(=O)=O)cc12 CS(=O)(=O)C[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)N(C)[C@H](C)[*:1]
Nc1ccc(-c2ccc(NC(=S)N[C@H]3CS(=O)(=O)C[C@H]3Cl)cc2)cc1 Nc1ccc(cc1)[*:1] O=S1(=O)C[C@@H](Cl)[C@H](C1)NC(=S)Nc1ccc(cc1)[*:1]
Cc1nnc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)c(C)c2)o1 Cc1nnc(o1)[*:1] Cc1ccc(cc1C)-n1c(nc2ccccc2c1=O)S[C@H](C)[*:1]
Cc1nnc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)c(C)c2)o1 Cc1ccc(cc1C)[*:1] Cc1nnc(o1)[C@@H](C)Sc1nc2ccccc2c(=O)n1[*:1]
NC1=[NH+]C[C@H](c2ccc(O)cc2)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] NC1=[NH+]C[C@H](c2ccc(O)cc2)N1C[*:1]
NC1=[NH+]C[C@H](c2ccc(O)cc2)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] NC1=[NH+]C[C@H](c2ccc(O)cc2)N1[*:1]
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)NC1CCCC1 Clc1ccc(cc1)[*:1] O=C(CN(C[*:1])S(=O)(=O)c1cccnc1)NC1CCCC1
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)NC1CCCC1 c1cncc(c1)[*:1] O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)[*:1])NC1CCCC1
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)NC1CCCC1 O=C(C[*:1])NC1CCCC1 O=S(=O)(c1cccnc1)N(Cc1ccc(Cl)cc1)[*:1]
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)NC1CCCC1 Clc1ccc(cc1)C[*:1] O=C(CN(S(=O)(=O)c1cccnc1)[*:1])NC1CCCC1
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=S(=O)(c1cccnc1)N(Cc1ccc(Cl)cc1)C[*:1]
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)N[*:1]
CO[C@@H]1CCCN(C(=O)N[C@H](CCCO)c2ccccc2)C1 c1ccc(cc1)[*:1] CO[C@@H]1CCCN(C1)C(=O)N[C@H](CCCO)[*:1]
CO[C@@H]1CCCN(C(=O)N[C@H](CCCO)c2ccccc2)C1 OCCC[*:1] CO[C@@H]1CCCN(C1)C(=O)N[C@H](c1ccccc1)[*:1]
CO[C@@H]1CCCN(C(=O)N[C@H](CCCO)c2ccccc2)C1 OCC[*:1] CO[C@@H]1CCCN(C1)C(=O)N[C@H](C[*:1])c1ccccc1
C[C@H]1CCN(C(=O)NCCc2ccsc2)C[C@@H]1O c1cc(cs1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NCC[*:1]
C[C@H]1CCN(C(=O)NCCc2ccsc2)C[C@@H]1O c1cc(cs1)C[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NC[*:1]
CCOC(=O)C[C@H](C)CNC(=O)c1cccc2ccc(C)nc12 CCOC(=O)[*:1] Cc1ccc2cccc(C(=O)NC[C@@H](C)C[*:1])c2n1
CCOC(=O)C[C@H](C)CNC(=O)c1cccc2ccc(C)nc12 CCOC(=O)C[*:1] Cc1ccc2cccc(C(=O)NC[C@@H](C)[*:1])c2n1
CCOc1ccc(NC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1 O=C1CCCN1[*:1] CCOc1ccc(cc1)NC(=O)[C@@H]1CCCN1c1nnc(s1)[*:1]
CCOc1ccc(NC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCCN1c1nnc(s1)N1CCCC1=O
CCOc1ccc(NC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1 CCOc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN1c1nnc(s1)N1CCCC1=O
Cc1cc(C)c2c(c1)N(C(=O)[C@H](C)n1cncn1)CCC2 c1ncn(n1)[*:1] Cc1cc(C)c2CCCN(C(=O)[C@H](C)[*:1])c2c1
CC(C)[C@@](C)(O)C[NH2+][C@H](c1ccccn1)C1CCCC1 CC(C)[*:1] C[C@@](O)(C[NH2+][C@H](c1ccccn1)C1CCCC1)[*:1]
CC(C)[C@@](C)(O)C[NH2+][C@H](c1ccccn1)C1CCCC1 c1ccc(nc1)[*:1] CC(C)[C@@](C)(O)C[NH2+][C@H](C1CCCC1)[*:1]
CC(C)[C@@](C)(O)C[NH2+][C@H](c1ccccn1)C1CCCC1 C1CCC(C1)[*:1] CC(C)[C@@](C)(O)C[NH2+][C@H](c1ccccn1)[*:1]
CC(C)[C@@](C)(O)C[NH2+][C@H](c1ccccn1)C1CCCC1 CC(C)[C@@](C)(O)[*:1] c1ccc(nc1)[C@@H]([NH2+]C[*:1])C1CCCC1
CNC(=O)CCn1c(CCCl)nc2cc(Cl)c(Cl)cc21 CNC(=O)CC[*:1] ClCCc1nc2cc(Cl)c(Cl)cc2n1[*:1]
CNC(=O)CCn1c(CCCl)nc2cc(Cl)c(Cl)cc21 ClCC[*:1] CNC(=O)CCn1c(nc2cc(Cl)c(Cl)cc21)[*:1]
CNC(=O)CCn1c(CCCl)nc2cc(Cl)c(Cl)cc21 CNC(=O)C[*:1] ClCCc1nc2cc(Cl)c(Cl)cc2n1C[*:1]
CNC(=O)CCn1c(CCCl)nc2cc(Cl)c(Cl)cc21 CNC(=O)[*:1] ClCCc1nc2cc(Cl)c(Cl)cc2n1CC[*:1]
CCc1ccc(CN(C(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[C@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)C[*:1] Cc1cc(C)c2c(=O)cc(oc2c1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCc1ccc(CN(C(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[C@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)[*:1] Cc1cc(C)c2c(=O)cc(oc2c1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1cccc(OC[C@@H](C)NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)c1 Cc1cccc(c1)[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)N[C@H](C)CO[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)c1 Cc1cccc(c1)O[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)N[C@H](C)C[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)c1 CC(C)[*:1] Cc1cccc(c1)OC[C@@H](C)NC(=O)C(=O)Nc1nn(cc1C#N)[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)c1 Cc1cccc(c1)OC[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)N[C@H](C)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)c1cnn(c1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)cc1 CCO[*:1] CC(C)(C)n1cc(cn1)C(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
CN(Cc1nccn1C(F)F)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 FC(F)[*:1] CN(Cc1nccn1[*:1])C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1
CN(Cc1nccn1C(F)F)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 FC(F)n1ccnc1[*:1] CN(C[*:1])C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1
CN(Cc1nccn1C(F)F)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] CN(Cc1nccn1C(F)F)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
CCNC(=O)CNC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CCNC(=O)[*:1] O=C(NC[*:1])N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
CCNC(=O)CNC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CCNC(=O)C[*:1] O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N[*:1]
CN(C)C(=O)c1cc(NCc2nc(C(F)(F)F)cc(=O)[nH]2)ccc1F FC(F)(F)[*:1] CN(C)C(=O)c1cc(ccc1F)NCc1nc(cc(=O)[nH]1)[*:1]
CN(C)C(=O)c1cc(NCc2nc(C(F)(F)F)cc(=O)[nH]2)ccc1F CN(C)C(=O)[*:1] O=c1cc(nc(CNc2ccc(F)c(c2)[*:1])[nH]1)C(F)(F)F
O=C(NC[C@@H]1COc2ccccc2O1)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1COc2ccccc2O1)c1cnn(c1)[*:1]
Cc1ccnc(NC(=O)c2c([O-])n(C)c3ccccc3c2=O)c1 Cc1ccnc(c1)[*:1] Cn1c([O-])c(C(=O)N[*:1])c(=O)c2ccccc21
C[C@H]1C[NH+](/C=C\C(=O)[O-])C[C@@H]1C O=C([O-])[*:1] C[C@H]1C[NH+](C=C[*:1])C[C@@H]1C
CCOCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 CCO[*:1] O=C(NCC[*:1])NCC1(CCCCC1)[NH+]1CCCCC1
CCOCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 CCOCC[*:1] O=C(NCC1(CCCCC1)[NH+]1CCCCC1)N[*:1]
CCOCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 CCOC[*:1] O=C(NCC1(CCCCC1)[NH+]1CCCCC1)NC[*:1]
Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(C(N)=O)cc1)C2 NC(=O)[*:1] Cc1ccc2C[C@H](Sc2c1)C(=O)Nc1ccc(cc1)[*:1]
CCc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1 c1csc(c1)[*:1] CCc1ccc(/C=C2/N=C(OC2=O)[*:1])cc1
CSc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2s1 Clc1cccc(c1)[*:1] CSc1nc2ccc(cc2s1)NS(=O)(=O)[*:1]
CCOCCCNC(=O)N[C@H]1CCC[C@H]1CO CCOC[*:1] O=C(NCC[*:1])N[C@H]1CCC[C@H]1CO
CCOCCCNC(=O)N[C@H]1CCC[C@H]1CO CCO[*:1] O=C(NCCC[*:1])N[C@H]1CCC[C@H]1CO
CCOCCCNC(=O)N[C@H]1CCC[C@H]1CO CCOCC[*:1] O=C(NC[*:1])N[C@H]1CCC[C@H]1CO
C[C@@H](O)C[C@@H]1CCCCN1S(=O)(=O)N1CCCC1 C[C@@H](O)C[*:1] O=S(=O)(N1CCCC1)N1CCCC[C@H]1[*:1]
C[C@@H](O)C[C@@H]1CCCCN1S(=O)(=O)N1CCCC1 C[C@@H](O)[*:1] O=S(=O)(N1CCCC1)N1CCCC[C@H]1C[*:1]
O=C(NCc1ccc2c(c1)OCCO2)NNc1ccccn1 c1ccc(nc1)[*:1] O=C(NCc1ccc2OCCOc2c1)NN[*:1]
CC(C)(C)C(=N)NC(=O)c1ccc([N+](=O)[O-])o1 CC(C)(C)[*:1] N=C(NC(=O)c1ccc(o1)[N+](=O)[O-])[*:1]
CC(C)(C)C(=N)NC(=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] CC(C)(C)C(=N)NC(=O)c1ccc(o1)[*:1]
CCOC(=O)CNC(=O)NCCc1c[nH]c2ccccc12 CCOC(=O)[*:1] O=C(NCCc1c[nH]c2ccccc12)NC[*:1]
CCOC(=O)CNC(=O)NCCc1c[nH]c2ccccc12 CCOC(=O)C[*:1] O=C(NCCc1c[nH]c2ccccc12)N[*:1]
COCc1ccccc1NC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] COCc1ccccc1NC(=O)N1CCCN(CC1)C(=O)[*:1]
COCc1ccccc1NC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 COC[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)Nc1ccccc1[*:1]
O=C(Cc1ccon1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 c1cc(no1)[*:1] O=C(C[*:1])N[C@H]1C[C@@H]1c1cccc(Cl)c1
O=C(Cc1ccon1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 c1cc(C[*:1])no1 O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
CC(C)Cn1cc(NCc2ccn(-c3ccccc3)n2)cn1 c1ccc(cc1)[*:1] CC(C)Cn1cc(cn1)NCc1ccn(n1)[*:1]
CC(C)Cn1cc(NCc2ccn(-c3ccccc3)n2)cn1 CC(C)C[*:1] c1ccc(cc1)-n1ccc(CNc2cnn(c2)[*:1])n1
CC(C)Cn1cc(NCc2ccn(-c3ccccc3)n2)cn1 CC(C)[*:1] c1ccc(cc1)-n1ccc(CNc2cnn(c2)C[*:1])n1
Cc1cc(=O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
Cc1cc(=O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
Cc1cnc(C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cn1 Cc1cnc(cn1)[*:1] O=C(NC1(CCCC1)c1ccc2OCCOc2c1)[*:1]
CC1=C(C(N)=O)[C@H](c2ccccc2F)N2NC(CCCO)=NC2=N1 OCC[*:1] CC1N=C2N=C(C[*:1])NN2[C@H](C=1C(N)=O)c1ccccc1F
CC1=C(C(N)=O)[C@H](c2ccccc2F)N2NC(CCCO)=NC2=N1 NC(=O)[*:1] CC1N=C2N=C(CCCO)NN2[C@H](C=1[*:1])c1ccccc1F
CC1=C(C(N)=O)[C@H](c2ccccc2F)N2NC(CCCO)=NC2=N1 Fc1ccccc1[*:1] CC1N=C2N=C(CCCO)NN2[C@@H](C=1C(N)=O)[*:1]
CC1=C(C(N)=O)[C@H](c2ccccc2F)N2NC(CCCO)=NC2=N1 OCCC[*:1] CC1N=C2N=C(NN2[C@H](C=1C(N)=O)c1ccccc1F)[*:1]
COc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(Cc1ccc(C)cc1)C3 COc1ccccc1O[*:1] Cc1ccc(cc1)CN1COc2ccc3c(=O)c(c(C)oc3c2C1)[*:1]
COc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(Cc1ccc(C)cc1)C3 COc1ccccc1[*:1] Cc1ccc(cc1)CN1COc2ccc3c(=O)c(O[*:1])c(C)oc3c2C1
COc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(Cc1ccc(C)cc1)C3 Cc1ccc(cc1)[*:1] COc1ccccc1Oc1c(C)oc2c3CN(COc3ccc2c1=O)C[*:1]
COc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(Cc1ccc(C)cc1)C3 Cc1ccc(cc1)C[*:1] COc1ccccc1Oc1c(C)oc2c3CN(COc3ccc2c1=O)[*:1]
COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@H](C(N)=O)c1ccccc1 NC(=O)[*:1] COc1cc(c(Cl)cc1C(=O)N[C@H](c1ccccc1)[*:1])-n1cccc1
COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@H](C(N)=O)c1ccccc1 c1ccn(c1)[*:1] COc1cc(c(Cl)cc1C(=O)N[C@H](C(N)=O)c1ccccc1)[*:1]
COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@H](C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(c(Cl)cc1C(=O)N[C@H](C(N)=O)[*:1])-n1cccc1
O=C(C=C1CCSCC1)NCC1(c2ccc(Cl)cc2)CCOCC1 Clc1ccc(cc1)[*:1] O=C(C=C1CCSCC1)NCC1(CCOCC1)[*:1]
CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 CS(=O)(=O)[*:1] CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc2ccc(cc2s1)[*:1]
O=C(COc1ccccc1N[C@@H]1CCC[C@@H](C2CC2)C1)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1ccc(OC[*:1])c(c1)N[C@@H]1CCC[C@H](C1)C1CC1
O=C(COc1ccccc1N[C@@H]1CCC[C@@H](C2CC2)C1)N1CCOCC1 C1CC1[*:1] O=C(COc1ccccc1N[C@@H]1CCC[C@@H](C1)[*:1])N1CCOCC1
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(F)cc1OCC1CC1 C1CC1C[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(F)cc1O[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(F)cc1OCC1CC1 C1CC1CO[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(F)cc1[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(F)cc1OCC1CC1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1ccc(F)cc1OCC1CC1
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(F)cc1OCC1CC1 O=C(N[*:1])c1ccoc1 C[C@H](C(=O)Nc1ccc(F)cc1OCC1CC1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(F)cc1OCC1CC1 C1CC1[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(F)cc1OC[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC2CCOCC2)cc1 C1CC(CCO1)O[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC2CCOCC2)cc1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)[*:1])c1ccc(cc1)OC1CCOCC1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC2CCOCC2)cc1 C1CC(CCO1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)O[*:1]
Cc1c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cnn1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cccc(c1)NS(C)(=O)=O
Cc1c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cnn1-c1ccc(Br)cc1 CS(=O)(=O)N[*:1] Cc1c(cnn1-c1ccc(Br)cc1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc2c(c1)-c1c(c(C(=O)NCc3ccc(F)cc3)nn1C)CS2 Fc1ccc(cc1)C[*:1] Cc1ccc2SCc3c(nn(C)c3-c2c1)C(=O)N[*:1]
Cc1ccc2c(c1)-c1c(c(C(=O)NCc3ccc(F)cc3)nn1C)CS2 Fc1ccc(cc1)[*:1] Cc1ccc2SCc3c(nn(C)c3-c2c1)C(=O)NC[*:1]
O=C1C(=O)N(CCOCC(F)(F)F)c2cc(F)c(Cl)cc21 FC(F)(F)[*:1] O=C1C(=O)N(CCOC[*:1])c2cc(F)c(Cl)cc21
O=C1C(=O)N(CCOCC(F)(F)F)c2cc(F)c(Cl)cc21 FC(F)(F)COC[*:1] O=C1C(=O)N(C[*:1])c2cc(F)c(Cl)cc21
O=C1C(=O)N(CCOCC(F)(F)F)c2cc(F)c(Cl)cc21 FC(F)(F)CO[*:1] O=C1C(=O)N(CC[*:1])c2cc(F)c(Cl)cc21
O=C1C(=O)N(CCOCC(F)(F)F)c2cc(F)c(Cl)cc21 FC(F)(F)C[*:1] O=C1C(=O)N(CCO[*:1])c2cc(F)c(Cl)cc21
Cc1nn(C)c(N(CC(C)C)C2CCCC2)c1C(N)=[NH2+] C1CCC(C1)[*:1] Cc1nn(C)c(c1C(N)=[NH2+])N(CC(C)C)[*:1]
Cc1nn(C)c(N(CC(C)C)C2CCCC2)c1C(N)=[NH2+] CC(C)C[*:1] Cc1nn(C)c(c1C(N)=[NH2+])N(C1CCCC1)[*:1]
Cc1nn(C)c(N(CC(C)C)C2CCCC2)c1C(N)=[NH2+] CC(C)[*:1] Cc1nn(C)c(c1C(N)=[NH2+])N(C[*:1])C1CCCC1
Cc1nn(C)c(N(CC(C)C)C2CCCC2)c1C(N)=[NH2+] NC(=[NH2+])[*:1] Cc1nn(C)c(c1[*:1])N(CC(C)C)C1CCCC1
OCCN(Cc1ccno1)Cc1ccccc1Br c1cc(on1)[*:1] OCCN(Cc1ccccc1Br)C[*:1]
OCCN(Cc1ccno1)Cc1ccccc1Br c1cc(C[*:1])on1 OCCN(Cc1ccccc1Br)[*:1]
OCCN(Cc1ccno1)Cc1ccccc1Br OCC[*:1] Brc1ccccc1CN(Cc1ccno1)[*:1]
O=C(CCNC(=O)c1ccco1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 O=C(NC[*:1])c1ccco1 O=C(C[*:1])NC1CCN(CC1)c1ccc(cn1)C(F)(F)F
O=C(CCNC(=O)c1ccco1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C(CCNC(=O)c1ccco1)NC1CCN(CC1)c1ccc(cn1)[*:1]
O=C(CCNC(=O)c1ccco1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 c1coc(c1)[*:1] O=C(CCNC(=O)[*:1])NC1CCN(CC1)c1ccc(cn1)C(F)(F)F
O=C(CCNC(=O)c1ccco1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 O=C(N[*:1])c1ccco1 O=C(CC[*:1])NC1CCN(CC1)c1ccc(cn1)C(F)(F)F
CSc1ccccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O Clc1ccc(Cl)c(c1)[*:1] CSc1ccccc1NC(=O)CN(S(C)(=O)=O)[*:1]
CSc1ccccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O CSc1ccccc1[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1cc(Cl)ccc1Cl
O=C1/C(=C/NC2CCCCCC2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 C1CCCC(CC1)[*:1] O=C1/C(=C/N[*:1])S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21
O=C1/C(=C/NC2CCCCCC2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 C1CCCC(CC1)N[*:1] O=C1C(=C[*:1])S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21
O=C1/C(=C/NC2CCCCCC2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 Fc1cccc(c1)C[*:1] O=C1/C(=C/NC2CCCCCC2)S(=O)(=O)N(c2ccsc21)[*:1]
O=C1/C(=C/NC2CCCCCC2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 Fc1cccc(c1)[*:1] O=C1/C(=C/NC2CCCCCC2)S(=O)(=O)N(C[*:1])c2ccsc21
COCCn1cc(CC(=O)Nc2nccs2)c2ccccc21 c1csc(n1)[*:1] COCCn1cc(CC(=O)N[*:1])c2ccccc21
COCCn1cc(CC(=O)Nc2nccs2)c2ccccc21 COC[*:1] O=C(Cc1cn(C[*:1])c2ccccc12)Nc1nccs1
COCCn1cc(CC(=O)Nc2nccs2)c2ccccc21 COCC[*:1] O=C(Cc1cn(c2ccccc12)[*:1])Nc1nccs1
Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)[O-])c2cc1C O=C([O-])[*:1] Cc1cc2nc(c(=O)n(c2cc1C)[C@H](C)[*:1])C(F)(F)F
Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)[O-])c2cc1C FC(F)(F)[*:1] Cc1cc2nc(c(=O)n(c2cc1C)[C@H](C)C(=O)[O-])[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1cc(Cl)ccc1OC CCS(=O)(=O)[*:1] COc1ccc(Cl)cc1C(=O)N(C)CC[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1cc(Cl)ccc1OC CCS(=O)(=O)C[*:1] COc1ccc(Cl)cc1C(=O)N(C)C[*:1]
C[C@H]1CN(C[C@H](O)COC(C)(C)C)C[C@H](C)O1 CC(C)(C)O[*:1] C[C@H]1CN(C[C@H](O)C[*:1])C[C@H](C)O1
C[C@H]1CN(C[C@H](O)COC(C)(C)C)C[C@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(C[C@H](O)CO[*:1])C[C@H](C)O1
N#Cc1ccccc1N1CCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] N#Cc1ccccc1N1CCCC[C@@H]1[*:1]
Cc1cccc(C)c1N(CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O Cc1cccc(C)c1[*:1] Cc1c(NC(=O)CN(S(C)(=O)=O)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1cccc(C)c1N(CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O c1ccc(cc1)[*:1] Cc1cccc(C)c1N(CC(=O)Nc1c(C)n(C)n(c1=O)[*:1])S(C)(=O)=O
C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(C#N)c1 c1cc(cs1)C[*:1] C[C@H](NS(=O)(=O)c1cccc(C#N)c1)[*:1]
C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(C#N)c1 c1cc(cs1)[*:1] C[C@H](C[*:1])NS(=O)(=O)c1cccc(C#N)c1
C#CCOc1ccccc1[C@@H]1NC(=O)[C@@H]2CCCCN21 C#CC[*:1] O=C1N[C@@H](c2ccccc2O[*:1])N2CCCC[C@@H]12
C#CCOc1ccccc1[C@@H]1NC(=O)[C@@H]2CCCCN21 C#CCO[*:1] O=C1N[C@@H](c2ccccc2[*:1])N2CCCC[C@@H]12
CN(C(=O)C1(c2ccccc2)CCC1)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CN(C(=O)C1(CCC1)c1ccccc1)C1CCN(CC1)[*:1]
CN(C(=O)C1(c2ccccc2)CCC1)C1CCN(c2cccc(F)c2)CC1 c1ccc(cc1)[*:1] CN(C(=O)C1(CCC1)[*:1])C1CCN(CC1)c1cccc(F)c1
CCCn1cc(N[C@@H]2CS[C@H](C)C2)ccc1=O CCC[*:1] C[C@@H]1C[C@@H](CS1)Nc1ccc(=O)n(c1)[*:1]
CN(CCOCC1CC1)C(=O)[C@@H]1CCC[NH2+]C1 C1CC1CO[*:1] CN(CC[*:1])C(=O)[C@@H]1CCC[NH2+]C1
CN(CCOCC1CC1)C(=O)[C@@H]1CCC[NH2+]C1 C1CC1C[*:1] CN(CCO[*:1])C(=O)[C@@H]1CCC[NH2+]C1
CN(CCOCC1CC1)C(=O)[C@@H]1CCC[NH2+]C1 C1CC1[*:1] CN(CCOC[*:1])C(=O)[C@@H]1CCC[NH2+]C1
Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC1=O O=C1CCC[C@@H]1[*:1] Cc1nn(C)c(C)c1C(=O)N1CCC[C@H]1[*:1]
O=C(COC(=O)c1cc(Br)ccc1O)c1ccccc1 c1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])c1cc(Br)ccc1O
CCc1ccccc1CNC(=O)NCc1ccc(COC)cc1 COC[*:1] CCc1ccccc1CNC(=O)NCc1ccc(cc1)[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2Cl)oc1NCc1ccccc1 c1ccc(cc1)CN[*:1] O=S(=O)(c1ccc2OCCOc2c1)c1nc(oc1[*:1])-c1ccccc1Cl
O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2Cl)oc1NCc1ccccc1 c1cc2OCCOc2cc1[*:1] O=S(=O)(c1nc(oc1NCc1ccccc1)-c1ccccc1Cl)[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2Cl)oc1NCc1ccccc1 c1ccc(cc1)C[*:1] O=S(=O)(c1ccc2OCCOc2c1)c1nc(oc1N[*:1])-c1ccccc1Cl
O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2Cl)oc1NCc1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)c1nc(oc1NC[*:1])-c1ccccc1Cl
O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2Cl)oc1NCc1ccccc1 Clc1ccccc1[*:1] O=S(=O)(c1ccc2OCCOc2c1)c1nc(oc1NCc1ccccc1)[*:1]
NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1ccc3[nH]ccc3c1)CC2 NC(=O)[*:1] O=C1CCC2(CC[NH+](CC2)Cc2ccc3[nH]ccc3c2)CN1C[*:1]
NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1ccc3[nH]ccc3c1)CC2 NC(=O)C[*:1] O=C1CCC2(CC[NH+](CC2)Cc2ccc3[nH]ccc3c2)CN1[*:1]
O=C(Nc1cc(-c2ccco2)ccc1F)C1=CCCCO1 c1coc(c1)[*:1] O=C(Nc1cc(ccc1F)[*:1])C1=CCCCO1
Cc1ccncc1NC(=O)NCc1ccccc1N1CCOCC1 Cc1ccncc1[*:1] O=C(NCc1ccccc1N1CCOCC1)N[*:1]
Cc1ccncc1NC(=O)NCc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccncc1NC(=O)NCc1ccccc1[*:1]
CCn1nc(C(C)C)cc1C(=O)Nc1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] CCn1nc(cc1C(=O)Nc1cnn(c1)[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)Nc1cnn(-c2ccccc2F)c1 CC(C)[*:1] CCn1nc(cc1C(=O)Nc1cnn(c1)-c1ccccc1F)[*:1]
CCC[C@H]1C[NH2+]C(C)(C)CN1Cc1nc(C)c(C)s1 CCC[*:1] Cc1nc(CN2CC(C)(C)[NH2+]C[C@@H]2[*:1])sc1C
C[NH2+][C@H](C)c1ccc(C)cc1O[C@H](C)[C@@H](C)O C[C@@H](O)[*:1] C[NH2+][C@H](C)c1ccc(C)cc1O[C@H](C)[*:1]
C[NH2+][C@H](C)c1ccc(C)cc1O[C@H](C)[C@@H](C)O C[C@@H](O)[C@@H](C)[*:1] C[NH2+][C@H](C)c1ccc(C)cc1O[*:1]
CC(C)n1cc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cn1 c1ccc(cc1)[*:1] CC(C)n1cc(cn1)NC(=O)[C@H](N1CCCCC1=O)[*:1]
CC(C)n1cc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cn1 O=C1CCCCN1[*:1] CC(C)n1cc(cn1)NC(=O)[C@H](c1ccccc1)[*:1]
CC(C)n1cc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)[*:1])[C@H](c1ccccc1)N1CCCCC1=O
CC(C)n1cc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cn1 CC(C)n1cc(cn1)[*:1] O=C(N[*:1])[C@H](c1ccccc1)N1CCCCC1=O
O=C1[C@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1CN(C(=O)[C@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc(c3)[N+](=O)[O-])N12)[*:1]
O=C1[C@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc(c3)[N+](=O)[O-])N2C(=O)CN1C[*:1]
O=C1[C@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C1[C@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](N2C(=O)CN1Cc1ccccc1)[*:1]
O=C1[C@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1 O=[N+]([O-])[*:1] O=C1[C@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc(c3)[*:1])N2C(=O)CN1Cc1ccccc1
COc1ccc(OC)c(N2/C(=N/C(=O)Cc3ccccc3OC)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 COc1ccccc1C[*:1] COc1ccc(OC)c(c1)N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
COc1ccc(OC)c(N2/C(=N/C(=O)Cc3ccccc3OC)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 COc1ccccc1[*:1] COc1ccc(OC)c(c1)N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
COc1ccc(OC)c(N2/C(=N/C(=O)Cc3ccccc3OC)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 COc1ccc(OC)c(c1)[*:1] COc1ccccc1CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CCOC(=O)N1CCC(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)CC1 CC(C)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)[C@H]1c2ccccc2C(=O)N(C[*:1])[C@@H]1c1cccs1
CCOC(=O)N1CCC(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)CC1 c1csc(c1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1[*:1]
CCOC(=O)N1CCC(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)CC1 CC(C)C[*:1] CCOC(=O)N1CCC(CC1)NC(=O)[C@H]1c2ccccc2C(=O)N([C@@H]1c1cccs1)[*:1]
CCOC(=O)N1CCC(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)CC1 CCOC(=O)N1CCC(CC1)[*:1] CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[*:1])[C@H]1c1cccs1
Cc1ccc(CN(C)c2cc(C)c(F)cc2[C@@H](C)[NH3+])cc1 Cc1ccc(cc1)[*:1] Cc1cc(c(cc1F)[C@@H](C)[NH3+])N(C)C[*:1]
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(OC3CCC3)c2)cn1 C1CC(C1)[*:1] N#Cc1ccc(cn1)S(=O)(=O)[N-]Cc1ccnc(c1)O[*:1]
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(OC3CCC3)c2)cn1 N#Cc1ccc(cn1)[*:1] O=S(=O)([N-]Cc1ccnc(c1)OC1CCC1)[*:1]
N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(OC3CCC3)c2)cn1 C1CC(C1)O[*:1] N#Cc1ccc(cn1)S(=O)(=O)[N-]Cc1ccnc(c1)[*:1]
CO[C@@H](CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)[*:1]
CO[C@@H](CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(F)cc1 C1CN(CCO1)C[*:1] CO[C@@H](CNC(=O)N1CCC[C@@H](C1)[*:1])c1ccc(F)cc1
CO[C@@H](CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(F)cc1 C1CN(CCO1)[*:1] CO[C@@H](CNC(=O)N1CCC[C@H](C1)C[*:1])c1ccc(F)cc1
O=C(CCc1cccc(F)c1)NNC(=O)c1cccnc1 Fc1cccc(c1)[*:1] O=C(CC[*:1])NNC(=O)c1cccnc1
O=C(CCc1cccc(F)c1)NNC(=O)c1cccnc1 c1cncc(c1)[*:1] O=C(CCc1cccc(F)c1)NNC(=O)[*:1]
O=C([O-])CCCC(=O)N1CCC(C2[NH+]=c3ccccc3=[NH+]2)CC1 O=C([O-])[*:1] O=C(CCC[*:1])N1CCC(CC1)C1[NH+]=c2ccccc2=[NH+]1
O=C([O-])CCCC(=O)N1CCC(C2[NH+]=c3ccccc3=[NH+]2)CC1 O=C([O-])CC[*:1] O=C(C[*:1])N1CCC(CC1)C1[NH+]=c2ccccc2=[NH+]1
O=C([O-])CCCC(=O)N1CCC(C2[NH+]=c3ccccc3=[NH+]2)CC1 O=C([O-])C[*:1] O=C(CC[*:1])N1CCC(CC1)C1[NH+]=c2ccccc2=[NH+]1
O=C([O-])CCCC(=O)N1CCC(C2[NH+]=c3ccccc3=[NH+]2)CC1 O=C([O-])CCC[*:1] O=C(N1CCC(CC1)C1[NH+]=c2ccccc2=[NH+]1)[*:1]
CCC(C)(C)[NH+](C)Cc1ccc(Br)cc1N CCC(C)(C)[*:1] C[NH+](Cc1ccc(Br)cc1N)[*:1]
Cc1nc(C)c(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)s1 Cc1nc(C)c(s1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)C1CC1)[*:1]
Cc1nc(C)c(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)s1 C1CC1[*:1] Cc1nc(C)c(s1)C(=O)Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1]
Cc1ccn2nc(NCc3ccc(C)s3)nc2c1 Cc1ccc(s1)[*:1] Cc1ccn2nc(nc2c1)NC[*:1]
Cc1ccccc1[C@H](NC[C@H](O)c1ccco1)C(C)C c1coc(c1)[*:1] Cc1ccccc1[C@H](NC[C@H](O)[*:1])C(C)C
Cc1ccccc1[C@H](NC[C@H](O)c1ccco1)C(C)C CC(C)[*:1] Cc1ccccc1[C@H](NC[C@H](O)c1ccco1)[*:1]
CCCCc1nnc(SCc2cc(=O)oc3cc(CC)ccc23)n1N CCC[*:1] CCc1ccc2c(cc(=O)oc2c1)CSc1nnc(C[*:1])n1N
CCCCc1nnc(SCc2cc(=O)oc3cc(CC)ccc23)n1N CCCC[*:1] CCc1ccc2c(cc(=O)oc2c1)CSc1nnc(n1N)[*:1]
CCn1ncnc1-c1c(-c2ccccc2)ncn1[C@@H](C)Cc1cc(C)n[nH]1 Cc1cc([nH]n1)[*:1] CCn1ncnc1-c1c(ncn1[C@@H](C)C[*:1])-c1ccccc1
CCn1ncnc1-c1c(-c2ccccc2)ncn1[C@@H](C)Cc1cc(C)n[nH]1 c1ccc(cc1)[*:1] CCn1ncnc1-c1c(ncn1[C@@H](C)Cc1cc(C)n[nH]1)[*:1]
CCn1ncnc1-c1c(-c2ccccc2)ncn1[C@@H](C)Cc1cc(C)n[nH]1 CCn1ncnc1[*:1] Cc1cc(C[C@H](C)n2cnc(-c3ccccc3)c2[*:1])[nH]n1
O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(NN=C1CCC(CC1)[*:1])c1ccc2OCOc2c1
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 COC(=O)C[*:1] O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(cc1)O[*:1]
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 COC(=O)[*:1] O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(cc1)OC[*:1]
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COC(=O)COc1ccc(cc1)S(=O)(=O)N[*:1]
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 COC(=O)CO[*:1] O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
Cn1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2c1NC(=O)C[C@H]2c1cccs1 O=[N+]([O-])c1ccc(cc1)[*:1] Cn1nc(NC(=O)C[*:1])c2c1NC(=O)C[C@H]2c1cccs1
Cn1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2c1NC(=O)C[C@H]2c1cccs1 O=[N+]([O-])[*:1] Cn1nc(NC(=O)Cc2ccc(cc2)[*:1])c2c1NC(=O)C[C@H]2c1cccs1
Cn1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2c1NC(=O)C[C@H]2c1cccs1 c1csc(c1)[*:1] Cn1nc(NC(=O)Cc2ccc(cc2)[N+](=O)[O-])c2c1NC(=O)C[C@@H]2[*:1]
CCN(CC)c1ccc(C(=O)NOCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCN(CC)c1ccc(cc1)C(=O)NOC[*:1]
CCN(CC)c1ccc(C(=O)NOCc2ccccc2)cc1 CCN(CC)[*:1] O=C(NOCc1ccccc1)c1ccc(cc1)[*:1]
CCN(CC)c1ccc(C(=O)NOCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCN(CC)c1ccc(cc1)C(=O)NO[*:1]
N#CCCN(Cc1cccnc1)C(=O)COc1ccc(F)cc1 c1cncc(c1)C[*:1] N#CCCN(C(=O)COc1ccc(F)cc1)[*:1]
N#CCCN(Cc1cccnc1)C(=O)COc1ccc(F)cc1 c1cncc(c1)[*:1] N#CCCN(C[*:1])C(=O)COc1ccc(F)cc1
N#CCCN(Cc1cccnc1)C(=O)COc1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CCCN(Cc1cccnc1)C(=O)CO[*:1]
N#CCCN(Cc1cccnc1)C(=O)COc1ccc(F)cc1 N#CCC[*:1] O=C(COc1ccc(F)cc1)N(Cc1cccnc1)[*:1]
N#CCCN(Cc1cccnc1)C(=O)COc1ccc(F)cc1 N#CC[*:1] O=C(COc1ccc(F)cc1)N(Cc1cccnc1)C[*:1]
CCOc1cc(C)ccc1NC(=O)NC1CCCC1 CCO[*:1] Cc1ccc(NC(=O)NC2CCCC2)c(c1)[*:1]
CCOc1cc(C)ccc1NC(=O)NC1CCCC1 C1CCC(C1)[*:1] CCOc1cc(C)ccc1NC(=O)N[*:1]
CCOc1ccccc1Nc1ccc(C(=O)[O-])cc1N O=C([O-])[*:1] CCOc1ccccc1Nc1ccc(cc1N)[*:1]
CCOc1ccccc1Nc1ccc(C(=O)[O-])cc1N CCO[*:1] Nc1cc(ccc1Nc1ccccc1[*:1])C(=O)[O-]
O=C1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCN1 FC(F)(F)[*:1] O=C1CN(CCN1)S(=O)(=O)c1cc(ccc1F)[*:1]
O=C([O-])C1(O)CCC(F)(F)CC1 O=C([O-])[*:1] OC1(CCC(F)(F)CC1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)o1 CN(C)S(=O)(=O)[*:1] O=C(Nc1cccc(Cl)c1)c1ccc(o1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] CN(C)S(=O)(=O)c1ccc(o1)C(=O)N[*:1]
O=C(COc1ccccc1-c1noc(-c2ccc(F)cc2)n1)Nc1ccccc1 Fc1ccc(cc1)[*:1] O=C(COc1ccccc1-c1noc(n1)[*:1])Nc1ccccc1
O=C(COc1ccccc1-c1noc(-c2ccc(F)cc2)n1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] Fc1ccc(cc1)-c1nc(no1)-c1ccccc1OC[*:1]
O=C(COc1ccccc1-c1noc(-c2ccc(F)cc2)n1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccccc1-c1noc(n1)-c1ccc(F)cc1)N[*:1]
Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](CCC(C)C)CC1 CC(C)[*:1] Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](CC1)CC[*:1]
Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](CCC(C)C)CC1 CC(C)C[*:1] Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](CC1)C[*:1]
Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](CCC(C)C)CC1 CC(C)CC[*:1] Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](CC1)[*:1]
Cc1cccc(C[S@](=O)[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)c1 Cc1cccc(c1)C[*:1] C[C@H](C(=O)Nc1ccc2OCCCOc2c1)[S@@](=O)[*:1]
Cc1cccc(C[S@](=O)[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)c1 Cc1cccc(c1)[*:1] C[C@H](C(=O)Nc1ccc2OCCCOc2c1)[S@@](=O)C[*:1]
CCc1ncc(CN(C)C(=O)C[C@@H](C)C(C)C)s1 CC(C)[*:1] CCc1ncc(CN(C)C(=O)C[C@@H](C)[*:1])s1
CCc1ncc(CN(C)C(=O)C[C@@H](C)C(C)C)s1 CC(C)[C@H](C)C[*:1] CCc1ncc(CN(C)C(=O)[*:1])s1
CCc1ncc(CN(C)C(=O)C[C@@H](C)C(C)C)s1 CC(C)[C@H](C)[*:1] CCc1ncc(CN(C)C(=O)C[*:1])s1
C[NH+]1CCN(c2nc(C(=O)NC3CCCC3)cs2)CC1 C1CCC(C1)[*:1] C[NH+]1CCN(CC1)c1nc(cs1)C(=O)N[*:1]
CC1(C)CN(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CCS1 C1CO[C@@H](C1)C[*:1] CC1(C)CN(CCS1)C(=O)Nc1cccc(c1)O[*:1]
CC1(C)CN(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CCS1 C1CO[C@@H](C1)[*:1] CC1(C)CN(CCS1)C(=O)Nc1cccc(c1)OC[*:1]
CC1(C)CN(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CCS1 C1CO[C@@H](C1)CO[*:1] CC1(C)CN(CCS1)C(=O)Nc1cccc(c1)[*:1]
O=c1oc(-c2ccccc2)nn1C[C@@H](O)COc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=c1oc(nn1C[C@@H](O)CO[*:1])-c1ccccc1
O=c1oc(-c2ccccc2)nn1C[C@@H](O)COc1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] O=c1oc(nn1C[C@@H](O)COc1ccc(Cl)cc1Cl)[*:1]
CCc1c(C)nc(Nc2ccc(Cl)cc2Cl)nc1OCC(=O)[O-] O=C([O-])C[*:1] CCc1c(C)nc(nc1O[*:1])Nc1ccc(Cl)cc1Cl
CCc1c(C)nc(Nc2ccc(Cl)cc2Cl)nc1OCC(=O)[O-] O=C([O-])CO[*:1] CCc1c(C)nc(nc1[*:1])Nc1ccc(Cl)cc1Cl
CCc1c(C)nc(Nc2ccc(Cl)cc2Cl)nc1OCC(=O)[O-] O=C([O-])[*:1] CCc1c(C)nc(nc1OC[*:1])Nc1ccc(Cl)cc1Cl
CCC(=O)Nc1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 CCC(=O)N[*:1] Clc1cccc(Cl)c1/C=N/c1ccc(cc1)[*:1]
Cc1cccc(C2=CCN(C(=O)Nc3ccc4c(c3)CCO4)CC2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc2OCCc2c1)N1CC=C(CC1)[*:1]
CCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnn1CC)CC2 CCn1nccc1[*:1] CCC(=O)N1CCC[C@@H]1c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
CCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnn1CC)CC2 CCC(=O)N1CCC[C@H]1[*:1] CCn1nccc1C(=O)N1CCc2nc([nH]c(=O)c2C1)[*:1]
COC(=O)c1ccc(-c2noc(C[NH+]3CCCN(c4ccccc4)CC3)n2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)-c1noc(C[NH+]2CCCN(CC2)[*:1])n1
COC(=O)c1ccc(-c2noc(C[NH+]3CCCN(c4ccccc4)CC3)n2)cc1 COC(=O)[*:1] c1ccc(cc1)N1CCC[NH+](CC1)Cc1nc(no1)-c1ccc(cc1)[*:1]
CCC[C@@]1(C)C[NH+]=C(N)N1c1ccccc1 CCC[*:1] C[C@]1(C[NH+]=C(N)N1c1ccccc1)[*:1]
C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(F)cc1Cl Cn1cc(cn1)[*:1] C[C@@H](N[C@@H](CO)[*:1])c1ccc(F)cc1Cl
CCC[NH2+][C@@H](CC)CN1CC(=O)N2CCC[C@@H]2C1=O CCC[*:1] CC[C@@H](CN1CC(=O)N2CCC[C@@H]2C1=O)[NH2+][*:1]
CCCCN(CC(F)(F)F)C(=O)[C@@](C)([NH3+])CC FC(F)(F)[*:1] CCCCN(C[*:1])C(=O)[C@@](C)([NH3+])CC
CCCCN(CC(F)(F)F)C(=O)[C@@](C)([NH3+])CC CCCC[*:1] CC[C@](C)([NH3+])C(=O)N(CC(F)(F)F)[*:1]
CCCCN(CC(F)(F)F)C(=O)[C@@](C)([NH3+])CC FC(F)(F)C[*:1] CCCCN(C(=O)[C@@](C)([NH3+])CC)[*:1]
CCCCN(CC(F)(F)F)C(=O)[C@@](C)([NH3+])CC CCC[*:1] CC[C@](C)([NH3+])C(=O)N(CC(F)(F)F)C[*:1]
C/C(=N\NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] CC(=NNC(=O)c1cc(nc2ccccc12)C1CC1)[*:1]
C/C(=N\NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccccc1 C1CC1[*:1] C/C(=N\NC(=O)c1cc(nc2ccccc12)[*:1])c1ccccc1
O=C(c1cccc2c1OCC2)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccc2CCOc21)N1CCC(CC1)c1[nH]ncc1[*:1]
O=C(c1cccc2c1OCC2)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 c1cc2CCOc2c(c1)[*:1] O=C(N1CCC(CC1)c1[nH]ncc1-c1ccccc1)[*:1]
N/C(COc1ccc(Cl)cc1Cl)=N\OCc1noc(-c2ccoc2)n1 Clc1ccc(c(Cl)c1)[*:1] N/C(CO[*:1])=N\OCc1noc(n1)-c1ccoc1
N/C(COc1ccc(Cl)cc1Cl)=N\OCc1noc(-c2ccoc2)n1 c1cc(co1)[*:1] N/C(COc1ccc(Cl)cc1Cl)=N\OCc1noc(n1)[*:1]
C[C@H]1CCCC[C@H]1CNC(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@H]1CNC(=O)N[C@@H](Cn1cncn1)[*:1]
C[C@H]1CCCC[C@H]1CNC(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(n1)[*:1] C[C@H]1CCCC[C@H]1CNC(=O)N[C@@H](C[*:1])c1ccccc1
C[C@H]1CCCC[C@H]1CNC(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(C[*:1])n1 C[C@H]1CCCC[C@H]1CNC(=O)N[C@@H](c1ccccc1)[*:1]
CC(=O)c1cccc(NC(=O)CSc2nccn2C)c1 Cn1ccnc1[*:1] CC(=O)c1cccc(c1)NC(=O)CS[*:1]
CC(=O)c1cccc(NC(=O)CSc2nccn2C)c1 CC(=O)[*:1] Cn1ccnc1SCC(=O)Nc1cccc(c1)[*:1]
Cc1n(Cc2ccccc2)c2cc([N+](=O)[O-])ccc2[n+]1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1n(C[*:1])c2cc(ccc2[n+]1Cc1ccccc1)[N+](=O)[O-]
Cc1n(Cc2ccccc2)c2cc([N+](=O)[O-])ccc2[n+]1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1n(c2cc(ccc2[n+]1Cc1ccccc1)[N+](=O)[O-])[*:1]
Cc1n(Cc2ccccc2)c2cc([N+](=O)[O-])ccc2[n+]1Cc1ccccc1 O=[N+]([O-])[*:1] Cc1n(Cc2ccccc2)c2cc(ccc2[n+]1Cc1ccccc1)[*:1]
Cc1n(Cc2ccccc2)c2cc([N+](=O)[O-])ccc2[n+]1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1n(Cc2ccccc2)c2cc(ccc2[n+]1[*:1])[N+](=O)[O-]
Cc1n(Cc2ccccc2)c2cc([N+](=O)[O-])ccc2[n+]1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1n(Cc2ccccc2)c2cc(ccc2[n+]1C[*:1])[N+](=O)[O-]
COc1cccc(Cl)c1CN(C)[C@H](C)CC#N N#CC[*:1] COc1cccc(Cl)c1CN(C)[C@H](C)[*:1]
COc1cccc(Cl)c1CN(C)[C@H](C)CC#N C[C@H](CC#N)[*:1] COc1cccc(Cl)c1CN(C)[*:1]
CC(C)NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 CC(C)[*:1] O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)N[*:1]
CC(C)NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(C)NC(=O)N[C@H](c1ccc(F)cc1)[*:1]
C[C@@H]1CN(C(=O)NCCCN2CCOCC2)c2ccccc21 C1CN(CCO1)[*:1] C[C@@H]1CN(C(=O)NCCC[*:1])c2ccccc21
C[C@@H]1CN(C(=O)NCCCN2CCOCC2)c2ccccc21 C1CN(CCO1)C[*:1] C[C@@H]1CN(C(=O)NCC[*:1])c2ccccc21
O=C(CSc1nnc(-c2cccc(Br)c2)o1)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C(CSc1nnc(o1)-c1cccc(Br)c1)N1CCN(CC1)[*:1]
O=C(CSc1nnc(-c2cccc(Br)c2)o1)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] O=C(CSc1nnc(o1)-c1cccc(Br)c1)N1CCN(CC1)C[*:1]
O=C(CSc1nnc(-c2cccc(Br)c2)o1)N1CCN(Cc2cccs2)CC1 Brc1cccc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])N1CCN(CC1)Cc1cccs1
CC[C@H](O)[C@@H](C)[C@@H]1CCO[C@]2(CCSC2)C1 CC[C@H](O)[*:1] C[C@@H]([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
FC(F)(F)c1cccc(NC2CC[NH2+]CC2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])NC1CC[NH2+]CC1
COC(=O)N1CCC[C@H]1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C COc1ccc(cc1)[*:1] COC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C[C@@H]1C)[*:1]
CC1=C(C(=O)N2CCN(C)CC2)[C@@H](c2c[nH]c3ccccc23)n2ncnc2N1 CN1CCN(CC1)C(=O)[*:1] CC1Nc2ncnn2[C@@H](C=1[*:1])c1c[nH]c2ccccc12
CC1=C(C(=O)N2CCN(C)CC2)[C@@H](c2c[nH]c3ccccc23)n2ncnc2N1 c1ccc2c(c[nH]c2c1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)N1CCN(C)CC1)[*:1]
C[C@@H](CN1CCOCC1)N1CCN(C(=O)c2ccc(O)cc2)CC1 C1CN(CCO1)C[*:1] C[C@@H](N1CCN(CC1)C(=O)c1ccc(O)cc1)[*:1]
C[C@@H](CN1CCOCC1)N1CCN(C(=O)c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] C[C@@H](CN1CCOCC1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](CN1CCOCC1)N1CCN(C(=O)c2ccc(O)cc2)CC1 C1CN(CCO1)[*:1] C[C@@H](C[*:1])N1CCN(CC1)C(=O)c1ccc(O)cc1
Cc1onc(-c2ccncn2)c1C(=O)N1CCc2sc(C(=O)NC(C)C)cc2C1 CC(C)NC(=O)[*:1] Cc1onc(-c2ccncn2)c1C(=O)N1CCc2sc(cc2C1)[*:1]
Cc1onc(-c2ccncn2)c1C(=O)N1CCc2sc(C(=O)NC(C)C)cc2C1 c1cc(ncn1)[*:1] Cc1onc(c1C(=O)N1CCc2sc(cc2C1)C(=O)NC(C)C)[*:1]
Cc1onc(-c2ccncn2)c1C(=O)N1CCc2sc(C(=O)NC(C)C)cc2C1 CC(C)[*:1] Cc1onc(-c2ccncn2)c1C(=O)N1CCc2sc(cc2C1)C(=O)N[*:1]
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N[C@H]1CCCC1(C)C O=C(N1CCCC1)[*:1] Cc1cc(ccc1NC(=O)N[C@H]1CCCC1(C)C)[*:1]
COCC[C@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 COCC[*:1] C[C@H](C(=O)Oc1ccc(cc1)-c1ccc(C#N)cc1)[*:1]
COCC[C@H](C)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 COC[*:1] C[C@@H](C[*:1])C(=O)Oc1ccc(cc1)-c1ccc(C#N)cc1
O=C1CN(Cc2nnc(-c3ccco3)o2)CCN1 c1coc(c1)[*:1] O=C1CN(CCN1)Cc1nnc(o1)[*:1]
Cc1ccc(OS(=O)(=O)c2cccc3cc(C)cnc23)cc1 Cc1ccc(cc1)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)O[*:1]
Cc1ccc(OCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)OCC(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1ccc(OCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1C Cc1ccc(cc1C)[*:1] O=C(CO[*:1])NC[C@@H](c1ccc(F)cc1)N1CCOCC1
Cc1ccc(OCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1C C1CN(CCO1)[*:1] Cc1ccc(cc1C)OCC(=O)NC[C@@H](c1ccc(F)cc1)[*:1]
Cc1ccc(OCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1C Cc1ccc(cc1C)O[*:1] O=C(C[*:1])NC[C@@H](c1ccc(F)cc1)N1CCOCC1
COC[C@H](C)CC(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] COC[*:1] C[C@H](CC(=O)N[C@@H]1CCCCC[C@@H]1[NH3+])[*:1]
COC[C@H](C)CC(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] COC[C@H](C)[*:1] [NH3+][C@H]1CCCCC[C@H]1NC(=O)C[*:1]
CNC(=O)CCC[NH+](C)Cc1cccc(O)c1 CNC(=O)[*:1] C[NH+](CCC[*:1])Cc1cccc(O)c1
CNC(=O)CCC[NH+](C)Cc1cccc(O)c1 CNC(=O)C[*:1] C[NH+](CC[*:1])Cc1cccc(O)c1
COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCC(=O)c4ccccc4)nc3nc2C1 O=C(C[*:1])c1ccccc1 COc1ccccc1[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)S[*:1]
COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCC(=O)c4ccccc4)nc3nc2C1 c1ccc(cc1)[*:1] COc1ccccc1[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)SCC(=O)[*:1]
COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCC(=O)c4ccccc4)nc3nc2C1 O=C(CS[*:1])c1ccccc1 COc1ccccc1[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)[*:1]
COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCC(=O)c4ccccc4)nc3nc2C1 COc1ccccc1[*:1] O=C(CSc1nc2nc3C[C@@H](CC(=O)c3cn2n1)[*:1])c1ccccc1
COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCC(=O)c4ccccc4)nc3nc2C1 O=C(c1ccccc1)[*:1] COc1ccccc1[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)SC[*:1]
O=C(CSc1nncn1-c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(CSc1nncn1-c1ccccc1)[*:1]
O=C(CSc1nncn1-c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(CSc1nncn1[*:1])c1cccs1
C[C@H](Cn1cccn1)OC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 c1cnn(c1)C[*:1] C[C@H](OC(=O)c1ncoc1-c1ccc2OCCOc2c1)[*:1]
C[C@H](Cn1cccn1)OC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 c1cnn(c1)[*:1] C[C@H](C[*:1])OC(=O)c1ncoc1-c1ccc2OCCOc2c1
CCn1nc(C)c(NC(=O)N[C@H](Cc2ccccc2)c2cccs2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)N[C@H](C[*:1])c2cccs2)c1C
CCn1nc(C)c(NC(=O)N[C@H](Cc2ccccc2)c2cccs2)c1C c1csc(c1)[*:1] CCn1nc(C)c(NC(=O)N[C@H](Cc2ccccc2)[*:1])c1C
CCn1nc(C)c(NC(=O)N[C@H](Cc2ccccc2)c2cccs2)c1C c1ccc(cc1)C[*:1] CCn1nc(C)c(NC(=O)N[C@H](c2cccs2)[*:1])c1C
Cc1ccc([C@H](SC2COC2)[C@@H](C)[NH3+])cc1 C1OCC1[*:1] Cc1ccc(cc1)[C@H](S[*:1])[C@@H](C)[NH3+]
Cc1ccc([C@H](SC2COC2)[C@@H](C)[NH3+])cc1 C1OCC1S[*:1] Cc1ccc(cc1)[C@H]([C@@H](C)[NH3+])[*:1]
CCN(CC)C(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1 Cc1ccnc(c1)[*:1] CCN(CC)C(=O)N1CCC(CC1)C(=O)N[*:1]
CCOC(=O)C1(C)CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)c1ccc(c2cccnc12)[N+](=O)[O-])[*:1]
CCOC(=O)C1(C)CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 O=[N+]([O-])[*:1] CCOC(=O)C1(C)CCN(CC1)c1ccc(c2cccnc12)[*:1]
CC[NH2+][C@H](COC)C(C)(C)c1ccccc1 COC[*:1] CC[NH2+][C@H](C(C)(C)c1ccccc1)[*:1]
CCN[C@@]1(C#N)CC[C@@H](Oc2cccc(F)c2F)C1 CCN[*:1] N#C[C@]1(CC[C@H](C1)Oc1cccc(F)c1F)[*:1]
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3C)Oc3ccccc32)cc1 Cc1ccccc1NC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1C[C@H](Oc2ccccc21)[*:1]
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3C)Oc3ccccc32)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1C[C@@H](Oc2ccccc21)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3C)Oc3ccccc32)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)[C@H]1CN(c2ccccc2O1)S(=O)(=O)[*:1]
C[C@H](NC(=O)Nc1cccc2ccccc12)c1cn[nH]c1 c1n[nH]cc1[*:1] C[C@H](NC(=O)Nc1cccc2ccccc12)[*:1]
NC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)C1 c1ccc2sc(nc2c1)[*:1] NC(=O)N1CCC[C@@H](C1)C(=O)Nc1cccc(c1)[*:1]
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(c1C)[*:1]
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc([N+](=O)[O-])c1C COC(=O)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N[C@H](Cc1c[nH]c2ccccc12)[*:1]
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc([N+](=O)[O-])c1C c1ccc2c(c[nH]c2c1)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)c1cccc(c1C)[N+](=O)[O-]
CCc1onc(C)c1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] CCc1onc(C)c1NC(=O)C(=O)N[C@H]1CCCC[C@H]1[*:1]
CCc1onc(C)c1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] CCc1onc(C)c1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1O[*:1]
CCc1onc(C)c1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 CCc1onc(C)c1[*:1] O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)C(=O)N[*:1]
CC(C)c1ccccc1-n1c(SCC(C)(C)O)nc2ccccc2c1=O CC(C)[*:1] CC(C)(O)CSc1nc2ccccc2c(=O)n1-c1ccccc1[*:1]
CC(C)c1ccccc1-n1c(SCC(C)(C)O)nc2ccccc2c1=O CC(C)(O)CS[*:1] CC(C)c1ccccc1-n1c(nc2ccccc2c1=O)[*:1]
CC(C)c1ccccc1-n1c(SCC(C)(C)O)nc2ccccc2c1=O CC(C)(O)[*:1] CC(C)c1ccccc1-n1c(nc2ccccc2c1=O)SC[*:1]
CC(C)c1ccccc1-n1c(SCC(C)(C)O)nc2ccccc2c1=O CC(C)(O)C[*:1] CC(C)c1ccccc1-n1c(nc2ccccc2c1=O)S[*:1]
O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCC[C@H](C1)[*:1]
CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3C)ccc21 Cc1cc(Br)ccc1[*:1] CCC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[*:1]
CC(C)Oc1ccc(NC(=O)NCc2ncc[nH]2)cc1C#N c1c[nH]c(C[*:1])n1 CC(C)Oc1ccc(cc1C#N)NC(=O)N[*:1]
CC(C)Oc1ccc(NC(=O)NCc2ncc[nH]2)cc1C#N CC(C)[*:1] N#Cc1cc(ccc1O[*:1])NC(=O)NCc1ncc[nH]1
CC(C)Oc1ccc(NC(=O)NCc2ncc[nH]2)cc1C#N c1c[nH]c(n1)[*:1] CC(C)Oc1ccc(cc1C#N)NC(=O)NC[*:1]
CC(C)Oc1ccc(NC(=O)NCc2ncc[nH]2)cc1C#N CC(C)O[*:1] N#Cc1cc(ccc1[*:1])NC(=O)NCc1ncc[nH]1
C/C=C\c1ccc(OC[C@H](O)CN2C(=O)c3cccc4cccc2c34)c(OC)c1 CC=C[*:1] COc1cc(ccc1OC[C@H](O)CN1C(=O)c2cccc3cccc1c23)[*:1]
Cc1[nH]c[nH+]c1CN1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 c1ccc(nc1)[*:1] Cc1[nH]c[nH+]c1CN1CCC(CC1)Oc1ccc(cc1)C(=O)NC[*:1]
Cc1[nH]c[nH+]c1CN1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 O=C(NCc1ccccn1)[*:1] Cc1[nH]c[nH+]c1CN1CCC(CC1)Oc1ccc(cc1)[*:1]
Cc1[nH]c[nH+]c1CN1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 c1ccc(C[*:1])nc1 Cc1[nH]c[nH+]c1CN1CCC(CC1)Oc1ccc(cc1)C(=O)N[*:1]
CNC(=O)NC(=O)[C@H](C)Nc1cccc(NC(=O)c2ccccc2)c1C CNC(=O)NC(=O)[*:1] Cc1c(cccc1N[C@@H](C)[*:1])NC(=O)c1ccccc1
CNC(=O)NC(=O)[C@H](C)Nc1cccc(NC(=O)c2ccccc2)c1C c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@H](C)Nc1cccc(NC(=O)[*:1])c1C
CC1(C)C(C(=O)Nc2cc(Cl)ccc2/C(N)=N/O)C1(C)C CC1(C)C(C1(C)C)[*:1] N/C(=N\O)c1ccc(Cl)cc1NC(=O)[*:1]
CC1(C)C(C(=O)Nc2cc(Cl)ccc2/C(N)=N/O)C1(C)C N/C(=N\O)[*:1] CC1(C)C(C(=O)Nc2cc(Cl)ccc2[*:1])C1(C)C
C[C@H](C(=O)[O-])[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1CO O=C([O-])[*:1] C[C@H]([C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1CO)[*:1]
COCCC(=O)Nc1cc(F)ccc1NC(C)C CC(C)N[*:1] COCCC(=O)Nc1cc(F)ccc1[*:1]
COCCC(=O)Nc1cc(F)ccc1NC(C)C COC[*:1] CC(C)Nc1ccc(F)cc1NC(=O)C[*:1]
COCCC(=O)Nc1cc(F)ccc1NC(C)C COCC[*:1] CC(C)Nc1ccc(F)cc1NC(=O)[*:1]
COCCC(=O)Nc1cc(F)ccc1NC(C)C CC(C)[*:1] COCCC(=O)Nc1cc(F)ccc1N[*:1]
Cc1[nH]ccc(=O)c1O[C@@H](C)C(N)=O NC(=O)[*:1] Cc1[nH]ccc(=O)c1O[C@@H](C)[*:1]
CCn1cc(S(=O)(=O)N(C)Cc2ccnn2CC)c(C)n1 CCn1nccc1[*:1] CCn1cc(c(C)n1)S(=O)(=O)N(C)C[*:1]
C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(Cl)nc2n1 C[C@H]1COCCN1[*:1] C[C@H]1COCCN1c1nc(c2ccc(Cl)nc2n1)[*:1]
C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(Cl)nc2n1 C[C@H]1COCCN1[*:1] C[C@H]1COCCN1c1nc(nc2nc(Cl)ccc12)[*:1]
Cc1ccc(NCc2[nH+]ccn2C)cc1N1CCOC1=O O=C1OCCN1[*:1] Cc1ccc(cc1[*:1])NCc1[nH+]ccn1C
COc1ccc2c(CC(=O)N(C[C@@H]3CCCCO3)C(C)C)coc2c1 C1CC[C@@H](C[*:1])OC1 COc1ccc2c(coc2c1)CC(=O)N(C(C)C)[*:1]
COc1ccc2c(CC(=O)N(C[C@@H]3CCCCO3)C(C)C)coc2c1 CC(C)[*:1] COc1ccc2c(coc2c1)CC(=O)N(C[C@@H]1CCCCO1)[*:1]
C[C@H]1CC[C@](C[NH3+])([C@]2(O)CCC[C@H](C3CC3)C2)C1 C1CC1[*:1] C[C@H]1CC[C@@](C[NH3+])(C1)[C@]1(O)CCC[C@H](C1)[*:1]
CC(C)[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H]([NH2+][C@H]1CC(=O)N(C1)C(C)(C)C)[*:1]
CC(C)[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccnc1 CC(C)[*:1] CC(C)(C)N1C[C@H](CC1=O)[NH2+][C@H](c1cccnc1)[*:1]
CC(C)[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccnc1 CC(C)(C)[*:1] CC(C)[C@H]([NH2+][C@H]1CC(=O)N(C1)[*:1])c1cccnc1
CC(C)(C)C1CCN(S(=O)(=O)N(Cc2ccncc2)C2CC2)CC1 c1cc(ccn1)C[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N(C1CC1)[*:1]
CC(C)(C)C1CCN(S(=O)(=O)N(Cc2ccncc2)C2CC2)CC1 C1CC1[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N(Cc1ccncc1)[*:1]
CC(C)(C)C1CCN(S(=O)(=O)N(Cc2ccncc2)C2CC2)CC1 c1cc(ccn1)[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N(C[*:1])C1CC1
CC(C)(C)C1CCN(S(=O)(=O)N(Cc2ccncc2)C2CC2)CC1 CC(C)(C)[*:1] O=S(=O)(N1CCC(CC1)[*:1])N(Cc1ccncc1)C1CC1
Cc1ccc(Cn2ccc([C@H](C)O)c2)cc1C C[C@H](O)[*:1] Cc1ccc(cc1C)Cn1ccc(c1)[*:1]
O=C(COc1ccc2c(c1)CCC2)N[C@@H](CO)C(=O)[O-] O=C([O-])[*:1] O=C(COc1ccc2CCCc2c1)N[C@@H](CO)[*:1]
C[C@@H](OC(=O)c1nc(C2CC2)n2ccccc12)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1nc(C2CC2)n2ccccc12)C(=O)N[*:1]
C[C@@H](OC(=O)c1nc(C2CC2)n2ccccc12)C(=O)Nc1ccccc1 C1CC1[*:1] C[C@@H](OC(=O)c1nc(n2ccccc12)[*:1])C(=O)Nc1ccccc1
COc1ccc(C#N)cc1CN1CCOC[C@H]1C1CC1 C1CC1[*:1] COc1ccc(C#N)cc1CN1CCOC[C@@H]1[*:1]
O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccnn1C1CCCC1 C1CCC(C1)[*:1] O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccnn1[*:1]
C[C@@H](O)CCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 C[C@@H](O)C[*:1] O=C(NC[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
C[C@@H](O)CCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 C[C@@H](O)CC[*:1] O=C(N[C@@H]1CC(=O)N(C1)C1CC1)N[*:1]
C[C@@H](O)CCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] C[C@@H](O)CCNC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](O)CCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 C[C@@H](O)[*:1] O=C(NCC[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
Cc1nc2ccccc2n1CCC(=O)N1CC[C@H](O)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1nc2ccccc2n1CCC(=O)N1CC[C@H](O)C[C@H]1[*:1]
O=C(CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(NC[*:1])N1CCC[C@@H](C1)[NH+]1CCCC1
COc1cccc(-c2nnc(SCC(=O)c3ccc(C)cc3)n2C)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)CSc1nnc(n1C)[*:1]
COc1cccc(-c2nnc(SCC(=O)c3ccc(C)cc3)n2C)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)-c1nnc(SCC(=O)[*:1])n1C
CCC(C)(C)N(C)C(=O)COc1ccc(C)cc1 CCC(C)(C)[*:1] Cc1ccc(cc1)OCC(=O)N(C)[*:1]
CC(C)Oc1cccc(CNc2ccccc2)c1 CC(C)[*:1] c1ccc(cc1)NCc1cccc(c1)O[*:1]
CC(C)Oc1cccc(CNc2ccccc2)c1 CC(C)O[*:1] c1ccc(cc1)NCc1cccc(c1)[*:1]
CC(C)Oc1cccc(CNc2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)Oc1cccc(c1)CN[*:1]
COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C#N)c2)[C@H]1[*:1]
COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1c[nH]c2ccccc12 N#Cc1cccc(c1)NC(=O)[*:1] COCCN1C(=O)c2ccccc2[C@@H]([C@@H]1c1c[nH]c2ccccc12)[*:1]
COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1c[nH]c2ccccc12 COCC[*:1] N#Cc1cccc(c1)NC(=O)[C@@H]1c2ccccc2C(=O)N([C@H]1c1c[nH]c2ccccc12)[*:1]
COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1c[nH]c2ccccc12 COC[*:1] N#Cc1cccc(c1)NC(=O)[C@@H]1c2ccccc2C(=O)N(C[*:1])[C@H]1c1c[nH]c2ccccc12
COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1c[nH]c2ccccc12 N#Cc1cccc(c1)[*:1] COCCN1C(=O)c2ccccc2[C@@H](C(=O)N[*:1])[C@@H]1c1c[nH]c2ccccc12
CC[C@@H](CCO)Nc1cc(Br)cc(F)c1C(N)=O NC(=O)[*:1] CC[C@@H](CCO)Nc1cc(Br)cc(F)c1[*:1]
CC[C@@H](CCO)Nc1cc(Br)cc(F)c1C(N)=O CC[C@@H](CCO)[*:1] NC(=O)c1c(F)cc(Br)cc1N[*:1]
CC[C@@H](CCO)Nc1cc(Br)cc(F)c1C(N)=O OCC[*:1] CC[C@@H](Nc1cc(Br)cc(F)c1C(N)=O)[*:1]
Cc1ccc(C[NH+](CCc2ccccc2)Cc2cc(=O)c(O)co2)s1 c1ccc(cc1)[*:1] Cc1ccc(C[NH+](CC[*:1])Cc2cc(=O)c(O)co2)s1
Cc1ccc(C[NH+](CCc2ccccc2)Cc2cc(=O)c(O)co2)s1 O=c1cc(occ1O)[*:1] Cc1ccc(C[NH+](CCc2ccccc2)C[*:1])s1
Cc1ccc(C[NH+](CCc2ccccc2)Cc2cc(=O)c(O)co2)s1 c1ccc(cc1)CC[*:1] Cc1ccc(C[NH+](Cc2cc(=O)c(O)co2)[*:1])s1
Cc1ccc(C[NH+](CCc2ccccc2)Cc2cc(=O)c(O)co2)s1 Cc1ccc(s1)[*:1] O=c1cc(C[NH+](CCc2ccccc2)C[*:1])occ1O
Cc1ccc(C[NH+](CCc2ccccc2)Cc2cc(=O)c(O)co2)s1 c1ccc(cc1)C[*:1] Cc1ccc(C[NH+](Cc2cc(=O)c(O)co2)C[*:1])s1
Cc1ccc(C[NH+](CCc2ccccc2)Cc2cc(=O)c(O)co2)s1 Cc1ccc(C[*:1])s1 O=c1cc(C[NH+](CCc2ccccc2)[*:1])occ1O
Cc1ccc(CS(=O)(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)CS(=O)(=O)NC[*:1]
Cc1ccc(CS(=O)(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)CS(=O)(=O)N[*:1]
C[C@H](CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] O=C(NC[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
C[C@H](CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)[*:1]
CCC(CC)c1nnc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)s1 CCC(CC)[*:1] CN(C)C(=O)N1CCC[C@H](C1)C(=O)Nc1nnc(s1)[*:1]
Clc1ccc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)cc1 c1cnc(nc1)[*:1] Clc1ccc(cc1)C[NH2+]CCCN1CCN(CC1)[*:1]
Clc1ccc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)cc1 Clc1ccc(cc1)C[*:1] c1cnc(nc1)N1CCN(CCC[NH2+][*:1])CC1
Clc1ccc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)cc1 Clc1ccc(cc1)[*:1] c1cnc(nc1)N1CCN(CCC[NH2+]C[*:1])CC1
CCc1nn(C)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 CCc1nn(C)cc1[*:1] COc1ccc(cc1)-c1csc(n1)[C@@H](C#N)C(=O)[*:1]
CCc1nn(C)cc1C(=O)[C@H](C#N)c1nc(-c2ccc(OC)cc2)cs1 COc1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)[C@H](C#N)c1nc(cs1)[*:1]
Cc1ccncc1NC(=O)N1CCN(C(=O)CCC(C)C)CC1 CC(C)CC[*:1] Cc1ccncc1NC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccncc1NC(=O)N1CCN(C(=O)CCC(C)C)CC1 CC(C)C[*:1] Cc1ccncc1NC(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1ccncc1NC(=O)N1CCN(C(=O)CCC(C)C)CC1 CC(C)[*:1] Cc1ccncc1NC(=O)N1CCN(CC1)C(=O)CC[*:1]
Cc1ccncc1NC(=O)N1CCN(C(=O)CCC(C)C)CC1 Cc1ccncc1[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)N[*:1]
COC(=O)C[C@H](C)NC(=O)c1ccc(Cl)cc1Cl COC(=O)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(Cl)cc1Cl
COC(=O)C[C@H](C)NC(=O)c1ccc(Cl)cc1Cl COC(=O)C[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1Cl)[*:1]
C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2nccnc2N)C1 Nc1nccnc1[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[*:1])C1
CCOCCCc1nc2cc3c(cc2[nH]1)OCCCO3 CCOCC[*:1] c1c2OCCCOc2cc2[nH]c(C[*:1])nc12
CCOCCCc1nc2cc3c(cc2[nH]1)OCCCO3 CCO[*:1] c1c2OCCCOc2cc2[nH]c(CCC[*:1])nc12
CCOCCCc1nc2cc3c(cc2[nH]1)OCCCO3 CCOC[*:1] c1c2OCCCOc2cc2[nH]c(CC[*:1])nc12
CCOCCCc1nc2cc3c(cc2[nH]1)OCCCO3 CCOCCC[*:1] c1c2OCCCOc2cc2[nH]c(nc12)[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@H]1CCCC[C@@H]1C O=C(N1CCCC1)[*:1] Cc1cccc(c1NC(=O)N[C@H]1CCCC[C@@H]1C)[*:1]
Cc1ccc(C)c2sc(NC(=O)c3cccnc3)nc12 c1cncc(c1)[*:1] Cc1ccc(C)c2sc(nc12)NC(=O)[*:1]
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2ccc(F)cc2)CC1 O=C([O-])[*:1] O=C(N[C@H](Cc1ccccc1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)C[*:1] O=C([O-])[C@@H](NC(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1]
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C([O-])[C@@H](C[*:1])NC(=O)N1CCN(CC1)c1ccc(F)cc1
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([O-])[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC1)[*:1]
CC(C)[C@@H](CC(=O)NCc1ccco1)[C@@H]1CCOC(C)(C)C1 c1coc(c1)C[*:1] CC(C)[C@@H](CC(=O)N[*:1])[C@@H]1CCOC(C)(C)C1
CC(C)[C@@H](CC(=O)NCc1ccco1)[C@@H]1CCOC(C)(C)C1 CC(C)[*:1] CC1(C)C[C@@H](CCO1)[C@H](CC(=O)NCc1ccco1)[*:1]
CC(C)[C@@H](CC(=O)NCc1ccco1)[C@@H]1CCOC(C)(C)C1 c1coc(c1)[*:1] CC(C)[C@@H](CC(=O)NC[*:1])[C@@H]1CCOC(C)(C)C1
CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC[NH+]1CCN(CC1)CC(=O)N[C@@H]1CCC[C@H]1[*:1]
CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)CC(=O)N[C@@H]1CCC[C@@H]1C[*:1]
O=[N+]([O-])c1ccc2nc(N[C@@H]3C=CS(=O)(=O)C3)oc2c1 O=[N+]([O-])[*:1] O=S1(=O)C=C[C@H](C1)Nc1nc2ccc(cc2o1)[*:1]
CCCCc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)s1 CCCC[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)s1 CCCCc1nnc(s1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N[*:1]
CCCCc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)s1 O=S(=O)(N1CCCCC1)[*:1] CCCCc1nnc(NC(=O)c2ccc(C)c(c2)[*:1])s1
CCCCc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)s1 CCC[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nnc(C[*:1])s1
CC[C@@H](C)N[C@@H](C(=O)OC)c1c[nH+]cn1C(C)C CC[C@@H](C)N[*:1] COC(=O)[C@@H](c1c[nH+]cn1C(C)C)[*:1]
CC[C@@H](C)N[C@@H](C(=O)OC)c1c[nH+]cn1C(C)C CC[C@@H](C)[*:1] COC(=O)[C@H](N[*:1])c1c[nH+]cn1C(C)C
CC[C@@H](C)N[C@@H](C(=O)OC)c1c[nH+]cn1C(C)C CC(C)[*:1] CC[C@@H](C)N[C@@H](C(=O)OC)c1c[nH+]cn1[*:1]
CC[C@@H](C)N[C@@H](C(=O)OC)c1c[nH+]cn1C(C)C COC(=O)[*:1] CC[C@@H](C)N[C@@H](c1c[nH+]cn1C(C)C)[*:1]
C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)[*:1]
Cc1ccccc1CC[C@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 Cn1cc(cn1)[*:1] Cc1ccccc1CC[C@H]1CCCN(C1)C(=O)CC[*:1]
Cc1ccccc1CC[C@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 Cn1cc(cn1)CC[*:1] Cc1ccccc1CC[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccccc1CC[C@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 Cn1cc(cn1)C[*:1] Cc1ccccc1CC[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccccc1CC[C@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 Cc1ccccc1C[*:1] Cn1cc(cn1)CCC(=O)N1CCC[C@@H](C1)C[*:1]
Cc1ccccc1CC[C@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 Cc1ccccc1[*:1] Cn1cc(cn1)CCC(=O)N1CCC[C@H](CC[*:1])C1
CCCCN/C([O-])=C(\C#N)C(=O)/C=C(/C)c1ccc(F)cc1F CCCC[*:1] C/C(=C/C(=O)/C(C#N)=C(\[O-])N[*:1])c1ccc(F)cc1F
CCCCN/C([O-])=C(\C#N)C(=O)/C=C(/C)c1ccc(F)cc1F CCCCN[*:1] C/C(=C/C(=O)/C(C#N)=C(\[O-])[*:1])c1ccc(F)cc1F
CCCCN/C([O-])=C(\C#N)C(=O)/C=C(/C)c1ccc(F)cc1F CCC[*:1] C/C(=C/C(=O)/C(C#N)=C(\[O-])NC[*:1])c1ccc(F)cc1F
CC[C@@H](C)CC[NH+]1CCCCC1 CC[C@@H](C)[*:1] C1CC[NH+](CC1)CC[*:1]
C[C@](O)(CNC(=O)Nc1ccccc1N1CCCC1=O)c1ccc(F)cc1 O=C1CCCN1[*:1] C[C@](O)(CNC(=O)Nc1ccccc1[*:1])c1ccc(F)cc1
C[C@](O)(CNC(=O)Nc1ccccc1N1CCCC1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)Nc1ccccc1N1CCCC1=O)[*:1]
CCn1cc(CN(C)C(=O)CCn2cc(C(=O)[O-])cn2)c(C)n1 O=C([O-])[*:1] CCn1cc(CN(C)C(=O)CCn2cc(cn2)[*:1])c(C)n1
Cn1ccnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 Cn1ccnc1[*:1] O=C(CS[*:1])N1CCN(CC1)C(=O)c1ccco1
Cn1ccnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] Cn1ccnc1SCC(=O)N1CCN(CC1)C(=O)[*:1]
Cn1ccnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 Cn1ccnc1S[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccco1
O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCOC[C@@H]1[*:1]
O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1ccc(-c2ccco2)[nH]c1=O C1CCC(C1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1O[*:1])c1ccc([nH]c1=O)-c1ccco1
O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1ccc(-c2ccco2)[nH]c1=O c1coc(c1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1ccc([nH]c1=O)[*:1]
O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1ccc(-c2ccco2)[nH]c1=O C1CCC(C1)O[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])c1ccc([nH]c1=O)-c1ccco1
CC(=O)[C@H](C)S[C@H](C(=O)Nc1ccccc1F)C(C)C CC(=O)[C@H](C)[*:1] CC(C)[C@H](S[*:1])C(=O)Nc1ccccc1F
CC(=O)[C@H](C)S[C@H](C(=O)Nc1ccccc1F)C(C)C CC(=O)[*:1] CC(C)[C@H](S[C@@H](C)[*:1])C(=O)Nc1ccccc1F
CC(=O)[C@H](C)S[C@H](C(=O)Nc1ccccc1F)C(C)C CC(C)[*:1] CC(=O)[C@H](C)S[C@H](C(=O)Nc1ccccc1F)[*:1]
S=c1sc(SCc2cn3cc(Cl)cc(Cl)c3n2)nn1-c1ccccc1 c1ccc(cc1)[*:1] S=c1sc(nn1[*:1])SCc1cn2cc(Cl)cc(Cl)c2n1
Cc1nnc2n1CCN([C@H](C)c1nnc(-c3cccs3)o1)C2 c1csc(c1)[*:1] Cc1nnc2CN(CCn12)[C@H](C)c1nnc(o1)[*:1]
CC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC[C@H](CO)[NH2+]Cc1ccc(cc1)[*:1]
COc1cccc(/C(C)=C/C(=O)NCCCn2cc(C)cn2)c1 Cc1cnn(c1)C[*:1] COc1cccc(c1)/C(C)=C/C(=O)NCC[*:1]
COc1cccc(/C(C)=C/C(=O)NCCCn2cc(C)cn2)c1 Cc1cnn(c1)[*:1] COc1cccc(c1)/C(C)=C/C(=O)NCCC[*:1]
COc1ccc(CCN2C[C@H](C(=O)N3CCC(OC)CC3)CCC2=O)cc1 COc1ccc(cc1)C[*:1] COC1CCN(CC1)C(=O)[C@@H]1CCC(=O)N(C1)C[*:1]
COc1ccc(CCN2C[C@H](C(=O)N3CCC(OC)CC3)CCC2=O)cc1 COc1ccc(cc1)[*:1] COC1CCN(CC1)C(=O)[C@@H]1CCC(=O)N(CC[*:1])C1
CN(CC(=O)NC1(C#N)CCCCC1)Cc1nccn1C(F)F FC(F)[*:1] CN(CC(=O)NC1(C#N)CCCCC1)Cc1nccn1[*:1]
Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1nc(ncc1[C@@H](C)NC(=O)[*:1])-c1ccncc1
Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)c1ccc(Cl)s1 c1cc(ccn1)[*:1] Cc1nc(ncc1[C@@H](C)NC(=O)c1ccc(Cl)s1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)CO[C@@H]2CCC[C@H](C)C2)C1 CCNS(=O)(=O)[*:1] C[C@H]1CCC[C@H](C1)OCC(=O)N1CC[C@H](C1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)CO[C@@H]2CCC[C@H](C)C2)C1 C[C@H]1CCC[C@H](C1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)CO[*:1]
Cc1c([C@@H]2C[C@@H]2C[NH2+]C(C)C)cnn1C CC(C)[*:1] Cc1c(cnn1C)[C@@H]1C[C@@H]1C[NH2+][*:1]
CC[C@H](c1ccncc1)N(C)CC(=O)NC(=O)NCc1ccco1 c1coc(c1)C[*:1] CC[C@H](c1ccncc1)N(C)CC(=O)NC(=O)N[*:1]
CC[C@H](c1ccncc1)N(C)CC(=O)NC(=O)NCc1ccco1 c1coc(c1)[*:1] CC[C@H](c1ccncc1)N(C)CC(=O)NC(=O)NC[*:1]
CC[C@H](c1ccncc1)N(C)CC(=O)NC(=O)NCc1ccco1 c1cc(ccn1)[*:1] CC[C@H](N(C)CC(=O)NC(=O)NCc1ccco1)[*:1]
CC[C@@H](NC(=O)NCc1ccc(NC(=O)NC(C)C)cc1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)NCc1ccc(cc1)NC(=O)NC(C)C)[*:1]
CC[C@@H](NC(=O)NCc1ccc(NC(=O)NC(C)C)cc1)c1cccs1 CC(C)NC(=O)N[*:1] CC[C@@H](NC(=O)NCc1ccc(cc1)[*:1])c1cccs1
CC[C@@H](NC(=O)NCc1ccc(NC(=O)NC(C)C)cc1)c1cccs1 CC(C)[*:1] CC[C@@H](NC(=O)NCc1ccc(cc1)NC(=O)N[*:1])c1cccs1
CC(C)(NC(=O)CN1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(NC(=O)CN1CCN(CC1)c1cccc[nH+]1)[*:1]
O=C(N[C@@H]1CCCC[C@H]1O)c1csc(C#CCCO)c1 OCC[*:1] O=C(N[C@@H]1CCCC[C@H]1O)c1csc(C#C[*:1])c1
O=C(N[C@@H]1CCCC[C@H]1O)c1csc(C#CCCO)c1 OCCC#C[*:1] O=C(N[C@@H]1CCCC[C@H]1O)c1csc(c1)[*:1]
NC(=O)c1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1Cl C1CCC(CC1)[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)C(=O)NCC[*:1]
NC(=O)c1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1Cl C1CCC(CC1)C[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)C(=O)NC[*:1]
NC(=O)c1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1Cl NC(=O)[*:1] O=C(NCCC1CCCCC1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
NC(=O)c1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1Cl C1CCC(CC1)CC[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)C(=O)N[*:1]
Cc1ccc(Nc2nn[nH]c2C(=O)N[C@H](C)c2ccc(F)cc2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)Nc1nn[nH]c1C(=O)N[C@H](C)[*:1]
Cc1ccc(Nc2nn[nH]c2C(=O)N[C@H](C)c2ccc(F)cc2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)c1[nH]nnc1N[*:1])c1ccc(F)cc1
CCSc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCSc1ccccc1[*:1]
CCSc1ccccc1[N+](=O)[O-] CCS[*:1] O=[N+]([O-])c1ccccc1[*:1]
CC(C)[C@@H](C(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccccc1)[*:1]
CC(C)[C@@H](C(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)N1CCC(CC1)C(=O)[*:1])c1ccccc1
CC(C)[C@@H](C(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 O=C(c1ccccc1)[*:1] CC(C)[C@@H](C(=O)N1CCC(CC1)[*:1])c1ccccc1
CC(C)[C@@H](C(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 CC(C)[*:1] O=C(c1ccccc1)C1CCN(CC1)C(=O)[C@@H](c1ccccc1)[*:1]
CCOc1ccc(-n2cc(C)cn2)cc1C(N)=O CCO[*:1] Cc1cnn(c1)-c1ccc(c(c1)C(N)=O)[*:1]
CCOc1ccc(-n2cc(C)cn2)cc1C(N)=O Cc1cnn(c1)[*:1] CCOc1ccc(cc1C(N)=O)[*:1]
CCOc1ccc(-n2cc(C)cn2)cc1C(N)=O NC(=O)[*:1] CCOc1ccc(cc1[*:1])-n1cc(C)cn1
O=C(N/N=C/c1ccccn1)c1ccc(COc2ccc3ccccc3c2)cc1 c1ccc(nc1)[*:1] O=C(NN=C[*:1])c1ccc(cc1)COc1ccc2ccccc2c1
[NH3+]Cc1cnn(-c2ccc(F)cc2F)c1C(F)(F)F FC(F)(F)[*:1] [NH3+]Cc1cnn(-c2ccc(F)cc2F)c1[*:1]
Cc1cc(NC(=O)Cc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)[*:1])n(n1)[C@H]1CCS(=O)(=O)C1
Cc1cc(NC(=O)Cc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)C[*:1])n(n1)[C@H]1CCS(=O)(=O)C1
CC(C)[C@@H](CO)NC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 CC(C)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 CC(C)[C@@H](CO)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)N[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 C[C@@H]1CN(C[C@@H](C)O1)[*:1] CC(C)[C@@H](CO)NC(=O)Nc1ccccc1[*:1]
COCCn1cnnc1C1CCN(C(=O)CO)CC1 COC[*:1] O=C(CO)N1CCC(CC1)c1nncn1C[*:1]
COCCn1cnnc1C1CCN(C(=O)CO)CC1 COCC[*:1] O=C(CO)N1CCC(CC1)c1nncn1[*:1]
CC(C)[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1 CC(C)[*:1] CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](N1CC[NH+](C)CC1)[*:1]
CC(C)[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1 N#Cc1ccc(cc1)[*:1] CC(C)[C@@H](CNC(=O)N(C)C[*:1])N1CC[NH+](C)CC1
COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1OC Clc1ccc(cc1)[*:1] COc1cccc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c1OC
C[C@]1(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)Oc2ccc(Cl)cc2NC1=O Fc1ccc(cc1)[*:1] C[C@@]1(Oc2ccc(Cl)cc2NC1=O)C(=O)Nc1nnc(s1)[*:1]
CC(=O)N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(CN(C)c3ccccc3)on2)CC1 CN(c1ccccc1)[*:1] CC(=O)N1CCN(CC1)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C[*:1])on1
CC(=O)N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(CN(C)c3ccccc3)on2)CC1 CN(C[*:1])c1ccccc1 CC(=O)N1CCN(CC1)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(on1)[*:1]
CC(=O)N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(CN(C)c3ccccc3)on2)CC1 CC(=O)N1CCN(CC1)C(=O)[*:1] CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2C[*:1])no1)c1ccccc1
CC(=O)N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(CN(C)c3ccccc3)on2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN(C)[*:1])on1
Cc1occc1-c1nn(C[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(=S)n1C Cc1occc1[*:1] Cn1c(nn(C[NH+]2CCN(CC2)[C@H]2CCS(=O)(=O)C2)c1=S)[*:1]
Cc1occc1-c1nn(C[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(=S)n1C O=S1(=O)CC[C@@H](C1)[*:1] Cc1occc1-c1nn(C[NH+]2CCN(CC2)[*:1])c(=S)n1C
Cc1nc(NC2CCCC2)sc1C(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1nc(NC2CCCC2)sc1[*:1]
Cc1nc(NC2CCCC2)sc1C(=O)NC1CC1 C1CCC(C1)[*:1] Cc1nc(N[*:1])sc1C(=O)NC1CC1
Cc1nc(NC2CCCC2)sc1C(=O)NC1CC1 C1CCC(C1)N[*:1] Cc1nc(sc1C(=O)NC1CC1)[*:1]
Cc1nc(NC2CCCC2)sc1C(=O)NC1CC1 C1CC1[*:1] Cc1nc(NC2CCCC2)sc1C(=O)N[*:1]
N#Cc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 O=[N+]([O-])[*:1] N#Cc1cccc(c1)OS(=O)(=O)c1ccc(cc1F)[*:1]
Cc1nsc(N2CCCN(C(=O)[C@H]3CC3(Cl)Cl)CC2)n1 Cc1nsc(n1)[*:1] O=C([C@H]1CC1(Cl)Cl)N1CCCN(CC1)[*:1]
C[C@@H]1CN(CCC(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(CCC(=O)NNC(=O)Cc2ccc(cc2)[*:1])C[C@@H](C)O1
c1nc(CNc2ccc(-c3nc(C4CC4)n[nH]3)cc2)cs1 c1nc(cs1)[*:1] c1cc(ccc1NC[*:1])-c1nc(n[nH]1)C1CC1
c1nc(CNc2ccc(-c3nc(C4CC4)n[nH]3)cc2)cs1 c1nc(cs1)CN[*:1] c1cc(ccc1-c1nc(n[nH]1)C1CC1)[*:1]
c1nc(CNc2ccc(-c3nc(C4CC4)n[nH]3)cc2)cs1 C1CC1[*:1] c1nc(cs1)CNc1ccc(cc1)-c1nc(n[nH]1)[*:1]
c1nc(CNc2ccc(-c3nc(C4CC4)n[nH]3)cc2)cs1 c1nc(cs1)C[*:1] c1cc(ccc1N[*:1])-c1nc(n[nH]1)C1CC1
CCN(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCN(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)[*:1]
CCN(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 C[C@@H](c1ccccc1)[*:1] CCN(CC(=O)N[*:1])S(=O)(=O)c1ccc(Br)cc1
CCN(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 c1ccc(cc1)[*:1] CCN(CC(=O)N[C@@H](C)[*:1])S(=O)(=O)c1ccc(Br)cc1
C[C@@H](CNC(=O)[C@@H](C)SCc1ccccc1)N1CC[NH+](C)CC1 c1ccc(cc1)C[*:1] C[C@@H](CNC(=O)[C@@H](C)S[*:1])N1CC[NH+](C)CC1
C[C@@H](CNC(=O)[C@@H](C)SCc1ccccc1)N1CC[NH+](C)CC1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@@H](C)SC[*:1])N1CC[NH+](C)CC1
Cc1c(C(=O)NCc2ccccc2OC2CCCCC2)nc2cc(Cl)ccn12 C1CCC(CC1)O[*:1] Cc1c(nc2cc(Cl)ccn12)C(=O)NCc1ccccc1[*:1]
Cc1c(C(=O)NCc2ccccc2OC2CCCCC2)nc2cc(Cl)ccn12 C1CCC(CC1)[*:1] Cc1c(nc2cc(Cl)ccn12)C(=O)NCc1ccccc1O[*:1]
C[S@@](=O)c1ccc(CNC(=O)c2nc(C3CC3)n3ccccc23)cc1 C1CC1[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)c1nc(n2ccccc12)[*:1]
COCC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 COC[*:1] C[C@H](C[*:1])C(=O)Nc1sc2CCCc2c1C#N
COCC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 COCC[C@@H](C)[*:1] N#Cc1c(NC(=O)[*:1])sc2CCCc21
COCC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 COCC[*:1] C[C@@H](C(=O)Nc1sc2CCCc2c1C#N)[*:1]
O=C(C[NH2+]Cc1cccc(Br)c1)NC1CC1 C1CC1[*:1] O=C(C[NH2+]Cc1cccc(Br)c1)N[*:1]
CCC(CC)(NC(=O)N(C)CCS(C)(=O)=O)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)N(C)CCS(C)(=O)=O)[*:1]
CCC(CC)(NC(=O)N(C)CCS(C)(=O)=O)C(=O)[O-] CS(=O)(=O)CC[*:1] CCC(CC)(NC(=O)N(C)[*:1])C(=O)[O-]
CCC(CC)(NC(=O)N(C)CCS(C)(=O)=O)C(=O)[O-] CS(=O)(=O)[*:1] CCC(CC)(NC(=O)N(C)CC[*:1])C(=O)[O-]
CCC(CC)(NC(=O)N(C)CCS(C)(=O)=O)C(=O)[O-] CS(=O)(=O)C[*:1] CCC(CC)(NC(=O)N(C)C[*:1])C(=O)[O-]
Cc1cc(C)c(C#N)c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] Cc1cc(C)c(C#N)c(n1)SCC(=O)Nc1cccc(c1)[*:1]
Cc1cc(=O)c2ccccc2n1CC(=O)NN NNC(=O)C[*:1] Cc1cc(=O)c2ccccc2n1[*:1]
Cc1cc(=O)c2ccccc2n1CC(=O)NN NNC(=O)[*:1] Cc1cc(=O)c2ccccc2n1C[*:1]
Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCNC3=O)cn2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)O[*:1])N[C@H]1CCCNC1=O
Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCNC3=O)cn2)cc1 Cc1ccc(cc1)O[*:1] O=C(Nc1ccc(nc1)[*:1])N[C@H]1CCCNC1=O
O=C(NCC1CC1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NCC1CC1)c1cn[nH]c1-c1ccc(cc1)[*:1]
O=C(NCC1CC1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 C1CC1[*:1] O=C(NC[*:1])c1cn[nH]c1-c1ccc(cc1)[N+](=O)[O-]
O=C(NCC1CC1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 O=C(NCC1CC1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1[nH]ncc1[*:1]
O=C(NCC1CC1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 C1CC1C[*:1] O=C(N[*:1])c1cn[nH]c1-c1ccc(cc1)[N+](=O)[O-]
COc1ccc(CCC(=O)N(C)Cc2nccs2)cc1OC c1csc(C[*:1])n1 COc1ccc(cc1OC)CCC(=O)N(C)[*:1]
COc1ccc(CCC(=O)N(C)Cc2nccs2)cc1OC c1csc(n1)[*:1] COc1ccc(cc1OC)CCC(=O)N(C)C[*:1]
Cc1cc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[*:1])N(Cc1ccccc1)C[C@H](O)c1ccco1
Cc1cc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)n(C)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)N(C[C@H](O)c2ccco2)C[*:1])n(C)n1
Cc1cc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)n(C)n1 c1coc(c1)[*:1] Cc1cc(NC(=O)N(Cc2ccccc2)C[C@H](O)[*:1])n(C)n1
Cc1cc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)n(C)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)N(C[C@H](O)c2ccco2)[*:1])n(C)n1
COc1cccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2cccc3nccnc23)c1 COc1cccc(c1)[*:1] O=C(c1cccc2nccnc12)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1[*:1]
COc1cccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2cccc3nccnc23)c1 c1cc(c2nccnc2c1)[*:1] COc1cccc(c1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
CCn1c([C@H]2CCCN(C(=O)c3cnc4sccn4c3=O)C2)n[nH]c1=O CCn1c(n[nH]c1=O)[*:1] O=C(c1cnc2sccn2c1=O)N1CCC[C@@H](C1)[*:1]
CCc1ccc(CC(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] CCc1ccc(cc1)CC(=O)N[*:1]
Cc1nc2c(-c3ccccc3)c(C)nn2c(Cl)c1CCCl c1ccc(cc1)[*:1] Cc1nc2c(c(C)nn2c(Cl)c1CCCl)[*:1]
Cc1nc2c(-c3ccccc3)c(C)nn2c(Cl)c1CCCl ClCC[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c(Cl)c1[*:1]
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)CC2)cc1C c1cc([nH]n1)[*:1] Cc1ccc(cc1C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(o1)[*:1]
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(o1)-c1ccn[nH]1
CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O Clc1ccc(s1)[*:1] CN(C[*:1])C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(Cl)cc1
CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O Clc1ccc(C[*:1])s1 CN(C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(Cl)cc1)[*:1]
CC(C)(CNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)C(N)=O c1ccc(cc1)[*:1] CC(C)(CNC(=O)c1sc(nc1-c1ccccc1)[*:1])C(N)=O
CC(C)(CNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)C(N)=O c1ccc(cc1)[*:1] CC(C)(CNC(=O)c1sc(nc1[*:1])-c1ccccc1)C(N)=O
CC(C)(CNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)C(N)=O CC(C)(C[*:1])C(N)=O O=C(N[*:1])c1sc(nc1-c1ccccc1)-c1ccccc1
CC(C)(CNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)C(N)=O CC(C)(C(N)=O)[*:1] O=C(NC[*:1])c1sc(nc1-c1ccccc1)-c1ccccc1
CC(C)(CNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)C(N)=O NC(=O)[*:1] CC(C)(CNC(=O)c1sc(nc1-c1ccccc1)-c1ccccc1)[*:1]
Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1Cl O=[N+]([O-])[*:1] Cc1ccc(cc1Cl)/N=C\c1cc(ccc1[O-])[*:1]
CCCCN(C(=O)c1ccc2cc(OC)ccc2n1)C1CC(C)(C)[NH2+]C(C)(C)C1 CCCC[*:1] COc1ccc2nc(ccc2c1)C(=O)N(C1CC(C)(C)[NH2+]C(C)(C)C1)[*:1]
CCCCN(C(=O)c1ccc2cc(OC)ccc2n1)C1CC(C)(C)[NH2+]C(C)(C)C1 CCC[*:1] COc1ccc2nc(ccc2c1)C(=O)N(C[*:1])C1CC(C)(C)[NH2+]C(C)(C)C1
COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2cc3ccccc3o2)cc1 c1ccc2oc(cc2c1)[*:1] COc1ccc(cc1)NC(=O)c1cn(CCC#N)nc1[*:1]
COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2cc3ccccc3o2)cc1 COc1ccc(cc1)[*:1] N#CCCn1cc(C(=O)N[*:1])c(n1)-c1cc2ccccc2o1
COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2cc3ccccc3o2)cc1 N#CCC[*:1] COc1ccc(cc1)NC(=O)c1cn(nc1-c1cc2ccccc2o1)[*:1]
COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2cc3ccccc3o2)cc1 N#CC[*:1] COc1ccc(cc1)NC(=O)c1cn(C[*:1])nc1-c1cc2ccccc2o1
Cc1cc(C(=O)NCc2cc(-c3ccccn3)n(C)n2)ccc1[N+](=O)[O-] c1ccc(nc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NCc1cc(n(C)n1)[*:1]
Cc1cc(C(=O)NCc2cc(-c3ccccn3)n(C)n2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NCc1cc(-c2ccccn2)n(C)n1
CC[C@@H](C)N(C)c1ccc(F)cc1CO CC[C@@H](C)[*:1] CN(c1ccc(F)cc1CO)[*:1]
CC(C)[C@@](C)(O)CNc1snc(Cl)c1C#N CC(C)[*:1] C[C@@](O)(CNc1snc(Cl)c1C#N)[*:1]
CCOc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Br CCO[*:1] CC(C)Oc1ccccc1NC(=O)c1ccc(c(Br)c1)[*:1]
CCOc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Br CC(C)[*:1] CCOc1ccc(cc1Br)C(=O)Nc1ccccc1O[*:1]
CCOc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Br CC(C)O[*:1] CCOc1ccc(cc1Br)C(=O)Nc1ccccc1[*:1]
COc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)ccc1OC(F)F Brc1ccc(cc1)C[*:1] COc1cc(ccc1OC(F)F)C(=O)Nc1ccnn1[*:1]
COc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1ccnn1Cc1ccc(Br)cc1
COc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)ccc1OC(F)F Brc1ccc(cc1)[*:1] COc1cc(ccc1OC(F)F)C(=O)Nc1ccnn1C[*:1]
COc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)Nc1ccnn1Cc1ccc(Br)cc1
CCOC[C@H]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 c1ccc(cc1)[*:1] CCOC[C@H]1CCN(C1)C(=O)CCc1ncc(o1)[*:1]
CCOC[C@H]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 CCOC[*:1] O=C(CCc1ncc(o1)-c1ccccc1)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 CCO[*:1] O=C(CCc1ncc(o1)-c1ccccc1)N1CC[C@@H](C1)C[*:1]
Cc1ccc([N+](=O)[O-])c(N2CCCCC[C@H]2C(=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N1CCCCC[C@H]1C(=O)[O-])[*:1]
Cc1ccc([N+](=O)[O-])c(N2CCCCC[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(c(c1)N1CCCCC[C@@H]1[*:1])[N+](=O)[O-]
CC[C@H](C)[C@H](NC(=O)CN1CCOc2ccc(Cl)cc21)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@@H](NC(=O)CN1CCOc2ccc(Cl)cc21)[*:1]
CC[C@H](C)[C@H](NC(=O)CN1CCOc2ccc(Cl)cc21)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)CN1CCOc2ccc(Cl)cc21)[*:1]
Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1nn2c(cc(nc2c1[*:1])-c1ccc(Cl)cc1)C(F)(F)F
Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)NC(C)C FC(F)(F)[*:1] Cc1nn2c(cc(nc2c1C(=O)NC(C)C)-c1ccc(Cl)cc1)[*:1]
Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)NC(C)C CC(C)[*:1] Cc1nn2c(cc(nc2c1C(=O)N[*:1])-c1ccc(Cl)cc1)C(F)(F)F
Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)NC(C)C Clc1ccc(cc1)[*:1] Cc1nn2c(cc(nc2c1C(=O)NC(C)C)[*:1])C(F)(F)F
CC(C)(C)c1nc(Cn2cc(N)nn2)no1 CC(C)(C)[*:1] Nc1cn(Cc2noc(n2)[*:1])nn1
O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nc(-c2ccccn2)cs1 c1nnnn1C[*:1] O=C(CC1(CCCCC1)[*:1])Nc1nc(cs1)-c1ccccn1
O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nc(-c2ccccn2)cs1 c1ccc(nc1)[*:1] O=C(CC1(CCCCC1)Cn1cnnn1)Nc1nc(cs1)[*:1]
O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nc(-c2ccccn2)cs1 c1nnnn1[*:1] O=C(CC1(CCCCC1)C[*:1])Nc1nc(cs1)-c1ccccn1
C[NH2+][C@H](c1ccccc1C)[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] C[NH2+][C@H](c1ccccc1C)[C@@H](C)[*:1]
Cc1sc(C(=O)NCCS(N)(=O)=O)cc1-c1ccc(F)cc1 NS(=O)(=O)[*:1] Cc1sc(cc1-c1ccc(F)cc1)C(=O)NCC[*:1]
Cc1sc(C(=O)NCCS(N)(=O)=O)cc1-c1ccc(F)cc1 NS(=O)(=O)CC[*:1] Cc1sc(cc1-c1ccc(F)cc1)C(=O)N[*:1]
Cc1sc(C(=O)NCCS(N)(=O)=O)cc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(cc1[*:1])C(=O)NCCS(N)(=O)=O
Cc1sc(C(=O)NCCS(N)(=O)=O)cc1-c1ccc(F)cc1 NS(=O)(=O)C[*:1] Cc1sc(cc1-c1ccc(F)cc1)C(=O)NC[*:1]
C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)OCO2 CS(=O)(=O)[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])c1ccc2OCOc2c1
CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 c1cc2OCOc2cc1O[*:1] CN(Cc1cnc2ccccn12)C(=O)c1cc(C[*:1])[nH]n1
CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 c1cc2OCOc2cc1[*:1] CN(Cc1cnc2ccccn12)C(=O)c1cc(CO[*:1])[nH]n1
CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 c1ccn2c(cnc2c1)[*:1] CN(C[*:1])C(=O)c1cc(COc2ccc3OCOc3c2)[nH]n1
CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 c1ccn2c(cnc2c1)C[*:1] CN(C(=O)c1cc(COc2ccc3OCOc3c2)[nH]n1)[*:1]
CC(C)[C@H](C)NC(=O)[C@H](c1ccccc1)C(C)C CC(C)[*:1] CC(C)[C@H](C(=O)N[C@@H](C)[*:1])c1ccccc1
CC(C)[C@H](C)NC(=O)[C@H](c1ccccc1)C(C)C CC(C)[*:1] CC(C)[C@H](C)NC(=O)[C@H](c1ccccc1)[*:1]
CC(C)[C@H](C)NC(=O)[C@H](c1ccccc1)C(C)C CC(C)[C@H](C)[*:1] CC(C)[C@H](C(=O)N[*:1])c1ccccc1
CC(C)[C@H](C)NC(=O)[C@H](c1ccccc1)C(C)C c1ccc(cc1)[*:1] CC(C)[C@H](C)NC(=O)[C@H](C(C)C)[*:1]
CCN(CCOc1ccc(F)cc1)C(=O)c1cccc(C#N)c1 Fc1ccc(cc1)[*:1] CCN(CCO[*:1])C(=O)c1cccc(C#N)c1
COCCNC(=O)N1CCC[C@@H]1c1nc(C2CC2)no1 COC[*:1] O=C(NC[*:1])N1CCC[C@@H]1c1nc(no1)C1CC1
COCCNC(=O)N1CCC[C@@H]1c1nc(C2CC2)no1 COCC[*:1] O=C(N[*:1])N1CCC[C@@H]1c1nc(no1)C1CC1
COCCNC(=O)N1CCC[C@@H]1c1nc(C2CC2)no1 C1CC1[*:1] COCCNC(=O)N1CCC[C@@H]1c1nc(no1)[*:1]
CC[C@H](C)NC(=O)CNC(=O)c1cc2occc2n1C CC[C@H](C)[*:1] Cn1c(cc2occc21)C(=O)NCC(=O)N[*:1]
[NH3+][C@@H]([C@@H]1CCO[C@]2(CCSC2)C1)[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] [NH3+][C@@H]([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)[C@H](C)O[*:1])C(=O)N1CCOCC1
Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c1 O=C(N1CCOCC1)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)N[C@@H](C(C)C)[*:1]
Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c1 Cc1cccc(c1)O[*:1] CC(C)[C@@H](NC(=O)[C@H](C)[*:1])C(=O)N1CCOCC1
Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)N[C@@H](C(=O)N1CCOCC1)[*:1]
COCC[C@H]([NH3+])[C@H](C)c1ccccn1 COC[*:1] C[C@H](c1ccccn1)[C@@H]([NH3+])C[*:1]
COCC[C@H]([NH3+])[C@H](C)c1ccccn1 COCC[*:1] C[C@H](c1ccccn1)[C@@H]([NH3+])[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)C2CC2)c1 C1CC1[*:1] Cc1cc(C)cc(c1)OCC(=O)NNC(=S)NC(=O)[*:1]
CCC[C@@H]1SCCN1C(=O)CCC(=O)c1ccc(OC)c(F)c1 CCC[*:1] COc1ccc(cc1F)C(=O)CCC(=O)N1CCS[C@H]1[*:1]
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1F CC(C)(C)C(=O)NC[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1F CC(C)(C)C(=O)N[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N1CCC[C@H](C1)C[*:1]
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1F CC(C)(C)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)[*:1])C1
Cc1ccccc1NC(=O)COC(=O)[C@@H](C)O[C@H]1CCC[C@H](C)C1 Cc1ccccc1[*:1] C[C@H]1CCC[C@@H](C1)O[C@H](C)C(=O)OCC(=O)N[*:1]
COCCNC(=O)c1sc2cc(Br)ccc2c1Cl COC[*:1] O=C(NC[*:1])c1sc2cc(Br)ccc2c1Cl
COCCNC(=O)c1sc2cc(Br)ccc2c1Cl COCC[*:1] O=C(N[*:1])c1sc2cc(Br)ccc2c1Cl
CC(=O)Nc1nnc(CCCOc2ccc(Cl)cc2Cl)s1 CC(=O)N[*:1] Clc1ccc(OCCCc2nnc(s2)[*:1])c(Cl)c1
COc1ccc(NC(=O)c2cnc[nH]2)cc1NC(=O)c1ccccc1 c1ncc([nH]1)[*:1] COc1ccc(cc1NC(=O)c1ccccc1)NC(=O)[*:1]
COc1ccc(NC(=O)c2cnc[nH]2)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)[*:1])NC(=O)c1cnc[nH]1
COc1ccc(NC(=O)c2cnc[nH]2)cc1NC(=O)c1ccccc1 O=C(N[*:1])c1cnc[nH]1 COc1ccc(cc1NC(=O)c1ccccc1)[*:1]
CN(CCNC(=O)NCc1cccc(C(N)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCNC(=O)NCc1cccc(c1)C(N)=O)[*:1]
CN(CCNC(=O)NCc1cccc(C(N)=O)c1)c1ccccc1 NC(=O)[*:1] CN(CCNC(=O)NCc1cccc(c1)[*:1])c1ccccc1
CN(CCNC(=O)NCc1cccc(C(N)=O)c1)c1ccccc1 CN(c1ccccc1)[*:1] NC(=O)c1cccc(c1)CNC(=O)NCC[*:1]
COC(=O)[C@@H](C)CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 COC(=O)[*:1] C[C@@H](CNC(=O)Nc1cccc(c1)-c1[nH+]ccn1C)[*:1]
COC(=O)[C@@H](C)CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 COC(=O)[C@@H](C)[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)NC[*:1]
COC(=O)[C@@H](C)CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 COC(=O)[C@@H](C)C[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)N[*:1]
CCc1c(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cnn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1
CCc1c(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cnn1-c1ccc(C)cc1 CN(C(=O)OC(C)(C)C)[*:1] CCc1c(cnn1-c1ccc(C)cc1)C(=O)N1CCC[C@H](C1)C[*:1]
CCc1c(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cnn1-c1ccc(C)cc1 CN(C[*:1])C(=O)OC(C)(C)C CCc1c(cnn1-c1ccc(C)cc1)C(=O)N1CCC[C@@H](C1)[*:1]
CCc1c(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cnn1-c1ccc(C)cc1 CC(C)(C)[*:1] CCc1c(cnn1-c1ccc(C)cc1)C(=O)N1CCC[C@@H](CN(C)C(=O)O[*:1])C1
Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H](C)CO C[C@H](CO)[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)NC[*:1]
Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@H](C)CO C[C@H](CO)C[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)N[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C)C1 Cc1ccccc1[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)[C@@H]1C[C@H]1[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C)C1 CCNS(=O)(=O)[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CC[C@H](C1)[*:1]
CN(C)C(=O)c1cccc(S(=O)(=O)N2CCCc3cccc(F)c32)c1 CN(C)C(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCCc2cccc(F)c21
CC(=O)NNC(=O)c1ccsc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 CC(=O)NNC(=O)[*:1] O=C(Nc1sccc1[*:1])c1cc2cc(ccc2s1)[N+](=O)[O-]
CC(=O)NNC(=O)c1ccsc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 O=[N+]([O-])[*:1] CC(=O)NNC(=O)c1ccsc1NC(=O)c1cc2cc(ccc2s1)[*:1]
C[S@@](=O)c1ccc(CNC(=O)NC[C@@H](O)c2ccc(F)cc2)cc1 C[S@@](=O)[*:1] O=C(NCc1ccc(cc1)[*:1])NC[C@@H](O)c1ccc(F)cc1
C[S@@](=O)c1ccc(CNC(=O)NC[C@@H](O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)NC[C@@H](O)[*:1]
O=C(NCCO)c1ccccc1O OCC[*:1] O=C(N[*:1])c1ccccc1O
O=C([O-])[C@@H]1C=C[C@H](Nc2ncccn2)C1 O=C([O-])[*:1] C1=C[C@@H](C[C@@H]1[*:1])Nc1ncccn1
O=C(N[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1cccc2ccoc12 c1cc(c2occc2c1)[*:1] O=C(NCc1ccco1)[C@H](NC(=O)[*:1])c1ccccc1
O=C(N[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1cccc2ccoc12 c1coc(c1)[*:1] O=C(N[C@@H](C(=O)NC[*:1])c1ccccc1)c1cccc2ccoc12
O=C(N[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1cccc2ccoc12 c1coc(c1)C[*:1] O=C(N[C@@H](C(=O)N[*:1])c1ccccc1)c1cccc2ccoc12
O=C(N[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1cccc2ccoc12 O=C(NCc1ccco1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1cccc2ccoc12
O=C(N[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1cccc2ccoc12 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)NCc1ccco1)[*:1])c1cccc2ccoc12
O=c1cc(CSc2ccccn2)nc2n1CCS2 c1ccc(nc1)[*:1] O=c1cc(CS[*:1])nc2SCCn21
O=C([O-])C[C@@H](c1ccccc1)[NH+]1CCCCC1 O=C([O-])[*:1] c1ccc(cc1)[C@H](C[*:1])[NH+]1CCCCC1
O=C([O-])C[C@@H](c1ccccc1)[NH+]1CCCCC1 O=C([O-])C[*:1] c1ccc(cc1)[C@@H]([NH+]1CCCCC1)[*:1]
C[C@H]1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)[C@H](C)C1 c1nc(no1)[*:1] C[C@H]1CCN(C(=O)Nc2ccc(cc2)[*:1])[C@H](C)C1
Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N(C)Cc2ccccc2)c2sccc23)c1 Cc1ccc(C)c(c1)[*:1] CN(Cc1ccccc1)c1nc2c(nnn2c2ccsc12)S(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N(C)Cc2ccccc2)c2sccc23)c1 CN(Cc1ccccc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)c1nnn2c1nc(c1sccc12)[*:1]
Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N(C)Cc2ccccc2)c2sccc23)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)c1nnn2c1nc(c1sccc12)N(C)[*:1]
Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N(C)Cc2ccccc2)c2sccc23)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)c1nnn2c1nc(c1sccc12)N(C)C[*:1]
COCCCCS(=O)(=O)Cc1cccc(Br)c1C COCC[*:1] Cc1c(Br)cccc1CS(=O)(=O)CC[*:1]
COCCCCS(=O)(=O)Cc1cccc(Br)c1C COCCCC[*:1] Cc1c(Br)cccc1CS(=O)(=O)[*:1]
COCCCCS(=O)(=O)Cc1cccc(Br)c1C COC[*:1] Cc1c(Br)cccc1CS(=O)(=O)CCC[*:1]
COCCCCS(=O)(=O)Cc1cccc(Br)c1C COCCC[*:1] Cc1c(Br)cccc1CS(=O)(=O)C[*:1]
O=C(c1cc(F)c(Cl)cc1Cl)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 Fc1cc(c(Cl)cc1Cl)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1c[nH]c2ncccc12)[*:1]
O=C(c1cc(F)c(Cl)cc1Cl)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 c1cnc2[nH]cc(c2c1)[*:1] O=C(c1cc(F)c(Cl)cc1Cl)N1CCN(CC1)S(=O)(=O)[*:1]
COC[C@@H](NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)c1cc(nc2ccccc12)-c1ccc(C)cc1)[*:1]
COC[C@@H](NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)C(N)=O COC[*:1] Cc1ccc(cc1)-c1cc(C(=O)N[C@@H](C(N)=O)[*:1])c2ccccc2n1
COC[C@@H](NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)C(N)=O Cc1ccc(cc1)[*:1] COC[C@@H](NC(=O)c1cc(nc2ccccc12)[*:1])C(N)=O
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccco2)C1 c1coc(c1)[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N(C)[C@@H](C)[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccco2)C1 C[C@@H](c1ccco1)[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N(C)[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccco2)C1 CC[S@](=O)[*:1] C[C@@H](c1ccco1)N(C)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
COCC(=O)Nc1ccccc1N1CCCCC1 COC[*:1] O=C(Nc1ccccc1N1CCCCC1)[*:1]
COCC(=O)Nc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] COCC(=O)Nc1ccccc1[*:1]
COCC(=O)Nc1ccccc1N1CCCCC1 COCC(=O)N[*:1] c1ccc(c(c1)N1CCCCC1)[*:1]
O=S(=O)(c1ccccc1)N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 c1ccc(cc1)[*:1] O=S(=O)(N1CC[NH+](CC1)C[C@@H]1C[C@@H]2C=C[C@H]1C2)[*:1]
CNS(=O)(=O)CCNC(=O)c1c[nH]nc1C1CCCCC1 CNS(=O)(=O)[*:1] O=C(NCC[*:1])c1c[nH]nc1C1CCCCC1
CNS(=O)(=O)CCNC(=O)c1c[nH]nc1C1CCCCC1 CNS(=O)(=O)C[*:1] O=C(NC[*:1])c1c[nH]nc1C1CCCCC1
CNS(=O)(=O)CCNC(=O)c1c[nH]nc1C1CCCCC1 C1CCC(CC1)[*:1] CNS(=O)(=O)CCNC(=O)c1c[nH]nc1[*:1]
CNS(=O)(=O)CCNC(=O)c1c[nH]nc1C1CCCCC1 CNS(=O)(=O)CC[*:1] O=C(N[*:1])c1c[nH]nc1C1CCCCC1
FC(F)n1ccnc1CN(Cc1ccc2ccccc2n1)C1CC1 FC(F)[*:1] c1ccc2nc(ccc2c1)CN(Cc1nccn1[*:1])C1CC1
FC(F)n1ccnc1CN(Cc1ccc2ccccc2n1)C1CC1 C1CC1[*:1] FC(F)n1ccnc1CN(Cc1ccc2ccccc2n1)[*:1]
FC(F)n1ccnc1CN(Cc1ccc2ccccc2n1)C1CC1 FC(F)n1ccnc1[*:1] c1ccc2nc(ccc2c1)CN(C[*:1])C1CC1
Cc1cc(Br)ccc1SCC(=O)NCc1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] Cc1cc(Br)ccc1SCC(=O)NCc1ccc(cc1)C[*:1]
Cc1cc(Br)ccc1SCC(=O)NCc1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] Cc1cc(Br)ccc1SCC(=O)NCc1ccc(cc1)[*:1]
Cc1cc(Br)ccc1SCC(=O)NCc1ccc(Cn2cccn2)cc1 Cc1cc(Br)ccc1[*:1] O=C(CS[*:1])NCc1ccc(cc1)Cn1cccn1
NC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 NC(=O)N[*:1] O=C(c1ccc(Cl)cc1)N1CCC(CC1)[*:1]
CCOC(=O)CN1C(=O)S/C(=C/c2cn(CC(N)=O)c3ccccc23)C1=O NC(=O)[*:1] CCOC(=O)CN1C(=O)S/C(=C/c2cn(C[*:1])c3ccccc23)C1=O
CCOC(=O)CN1C(=O)S/C(=C/c2cn(CC(N)=O)c3ccccc23)C1=O CCOC(=O)C[*:1] NC(=O)Cn1cc(/C=C2/SC(=O)N(C2=O)[*:1])c2ccccc21
CCOC(=O)CN1C(=O)S/C(=C/c2cn(CC(N)=O)c3ccccc23)C1=O CCOC(=O)[*:1] NC(=O)Cn1cc(/C=C2/SC(=O)N(C[*:1])C2=O)c2ccccc21
CCOC(=O)CN1C(=O)S/C(=C/c2cn(CC(N)=O)c3ccccc23)C1=O NC(=O)C[*:1] CCOC(=O)CN1C(=O)S/C(=C/c2cn(c3ccccc23)[*:1])C1=O
C#Cc1cccc(NC(=S)NNC(=O)Cn2ccc3ccc(Cl)cc32)c1 C#Cc1cccc(c1)[*:1] O=C(Cn1ccc2ccc(Cl)cc21)NNC(=S)N[*:1]
CC[C@@H](Nc1ccc2nnc(C)n2n1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](Nc1ccc2nnc(C)n2n1)c1nc(cs1)[*:1]
O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1)[C@@H]1CCCO1 C1CCN(C1)[*:1] O=C(N[C@H]1CS(=O)(=O)C[C@@H]1[*:1])[C@@H]1CCCO1
O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1)[*:1]
O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cnc(s1)[*:1]
COC(=O)c1c[n+](-c2ccc([N+](=O)[O-])cc2)cc2c(O)n(-c3ccccc3C)nc12 COC(=O)[*:1] Cc1ccccc1-n1nc2c(c[n+](cc2c1O)-c1ccc(cc1)[N+](=O)[O-])[*:1]
COC(=O)c1c[n+](-c2ccc([N+](=O)[O-])cc2)cc2c(O)n(-c3ccccc3C)nc12 Cc1ccccc1[*:1] COC(=O)c1c[n+](cc2c(O)n(nc12)[*:1])-c1ccc(cc1)[N+](=O)[O-]
COC(=O)c1c[n+](-c2ccc([N+](=O)[O-])cc2)cc2c(O)n(-c3ccccc3C)nc12 O=[N+]([O-])c1ccc(cc1)[*:1] COC(=O)c1c[n+](cc2c(O)n(nc12)-c1ccccc1C)[*:1]
COC(=O)c1c[n+](-c2ccc([N+](=O)[O-])cc2)cc2c(O)n(-c3ccccc3C)nc12 O=[N+]([O-])[*:1] COC(=O)c1c[n+](cc2c(O)n(nc12)-c1ccccc1C)-c1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)CN1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)CN1CCN(C1=O)[*:1]
CC[C@H](C)NC(=O)CN1CCN(c2ccccc2)C1=O CC[C@H](C)[*:1] O=C(CN1CCN(C1=O)c1ccccc1)N[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(C[NH+](C)C)c2)o1 Cc1ccc(o1)[*:1] C[NH+](C)Cc1cccc(c1)C[NH2+]Cc1c[nH]nc1[*:1]
CCOc1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)n1 CCO[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1nc(ccc1Cl)[*:1]
CCOc1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)n1 Cc1n[nH]c(C)c1[*:1] CCOc1ccc(Cl)c(n1)C(=O)N1CCC[C@H]1[*:1]
CC[C@H]1CCCC[C@H]1C(=O)[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] CC[C@H]1CCCC[C@H]1C(=O)[C@@H]1CN(CCO1)[*:1]
NC(=O)COc1cccc(C(=O)Nc2ccccc2N2CCc3ccccc32)c1 NC(=O)C[*:1] O=C(Nc1ccccc1N1CCc2ccccc21)c1cccc(c1)O[*:1]
NC(=O)COc1cccc(C(=O)Nc2ccccc2N2CCc3ccccc32)c1 c1ccc2c(c1)CCN2[*:1] NC(=O)COc1cccc(c1)C(=O)Nc1ccccc1[*:1]
NC(=O)COc1cccc(C(=O)Nc2ccccc2N2CCc3ccccc32)c1 NC(=O)[*:1] O=C(Nc1ccccc1N1CCc2ccccc21)c1cccc(c1)OC[*:1]
NC(=O)COc1cccc(C(=O)Nc2ccccc2N2CCc3ccccc32)c1 NC(=O)CO[*:1] O=C(Nc1ccccc1N1CCc2ccccc21)c1cccc(c1)[*:1]
CCc1ccc(C(=O)N2CSC[C@H]2C(=O)[O-])o1 O=C([O-])[*:1] CCc1ccc(o1)C(=O)N1CSC[C@@H]1[*:1]
Cn1cc(CNC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)cn1 Cn1cc(cn1)C[*:1] O=C(Nc1cccc(c1)Oc1ccncc1)C(=O)N[*:1]
Cn1cc(CNC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)cn1 c1cc(ccn1)O[*:1] Cn1cc(cn1)CNC(=O)C(=O)Nc1cccc(c1)[*:1]
Cn1cc(CNC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)cn1 Cn1cc(cn1)[*:1] O=C(NC[*:1])C(=O)Nc1cccc(c1)Oc1ccncc1
Cn1cc(CNC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)cn1 c1cc(ccn1)[*:1] Cn1cc(cn1)CNC(=O)C(=O)Nc1cccc(c1)O[*:1]
CC(C)C[C@H](NC(=O)OC(C)(C)C)/C(N)=N/O N/C(=N\O)[*:1] CC(C)C[C@H](NC(=O)OC(C)(C)C)[*:1]
CC(C)C[C@H](NC(=O)OC(C)(C)C)/C(N)=N/O CC(C)(C)[*:1] CC(C)C[C@H](NC(=O)O[*:1])/C(N)=N/O
CC(C)C[C@H](NC(=O)OC(C)(C)C)/C(N)=N/O CC(C)C[*:1] CC(C)(C)OC(=O)N[C@H](/C(N)=N/O)[*:1]
CC(C)C[C@H](NC(=O)OC(C)(C)C)/C(N)=N/O CC(C)[*:1] CC(C)(C)OC(=O)N[C@@H](C[*:1])/C(N)=N/O
Cn1ccc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)n1 FC(F)(F)[*:1] Cn1ccc(n1)C(=O)N1CCC[C@H](C1)c1cccc(n1)-c1cccc(c1)[*:1]
Cn1ccc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)n1 FC(F)(F)c1cccc(c1)[*:1] Cn1ccc(n1)C(=O)N1CCC[C@H](C1)c1cccc(n1)[*:1]
Cn1ccc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)n1 Cn1ccc(n1)[*:1] O=C(N1CCC[C@H](C1)c1cccc(n1)-c1cccc(c1)C(F)(F)F)[*:1]
COc1ccc2c(-c3ccccc3)c(C(=O)N(C)OC)oc2c1 c1ccc(cc1)[*:1] COc1ccc2c(c(oc2c1)C(=O)N(C)OC)[*:1]
COc1ccc2c(-c3ccccc3)c(C(=O)N(C)OC)oc2c1 CON(C)C(=O)[*:1] COc1ccc2c(-c3ccccc3)c(oc2c1)[*:1]
COCCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nc2ccccc21 COC[*:1] Cc1cc(C)c(NC(=O)CSc2nc3ccccc3n2C[*:1])c(Cl)c1
COCCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nc2ccccc21 COCC[*:1] Cc1cc(C)c(NC(=O)CSc2nc3ccccc3n2[*:1])c(Cl)c1
COCCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nc2ccccc21 Cc1cc(C)c(c(Cl)c1)[*:1] COCCn1c(nc2ccccc21)SCC(=O)N[*:1]
CC(C)C[NH+]1CCC(OCc2ccccc2F)CC1 CC(C)[*:1] Fc1ccccc1COC1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCC(OCc2ccccc2F)CC1 CC(C)C[*:1] Fc1ccccc1COC1CC[NH+](CC1)[*:1]
CCC([NH3+])(CC)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F O=[N+]([O-])[*:1] CCC([NH3+])(CC)C(=O)Nc1cc(c(F)cc1F)[*:1]
C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+]CCOC1CCCC1 C1CCC(C1)O[*:1] C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+]CC[*:1]
C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+]CCOC1CCCC1 C1CCC(C1)[*:1] C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+]CCO[*:1]
C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]1[*:1]
Cc1ccc(NC(=O)CSCC(=O)NCc2cccs2)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)NC(=O)CSCC(=O)N[*:1]
Cc1ccc(NC(=O)CSCC(=O)NCc2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(CSCC(=O)N[*:1])NCc1cccs1
Cc1ccc(NC(=O)CSCC(=O)NCc2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)NC(=O)CSCC(=O)NC[*:1]
Cc1cnn(CCCNC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)c1 Cc1cnn(c1)C[*:1] Cc1oc(cc1C(=O)NCC[*:1])S(=O)(=O)N(C)C
Cc1cnn(CCCNC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)c1 CN(C)S(=O)(=O)[*:1] Cc1cnn(c1)CCCNC(=O)c1cc(oc1C)[*:1]
Cc1cnn(CCCNC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)c1 Cc1cnn(c1)[*:1] Cc1oc(cc1C(=O)NCCC[*:1])S(=O)(=O)N(C)C
Cc1cnn(CCCNC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)c1 Cc1cnn(c1)CC[*:1] Cc1oc(cc1C(=O)NC[*:1])S(=O)(=O)N(C)C
O=C1CCCC[C@H]1[C@@H]1CCCN1C(=O)c1c(O)cc(F)cc1F O=C1CCCC[C@@H]1[*:1] O=C(c1c(O)cc(F)cc1F)N1CCC[C@H]1[*:1]
CCCCCCO[C@@H]1CCCC(C)(C)[C@H]1[NH2+]C CCC[*:1] C[NH2+][C@H]1[C@@H](CCCC1(C)C)OCCC[*:1]
CCCCCCO[C@@H]1CCCC(C)(C)[C@H]1[NH2+]C CCCC[*:1] C[NH2+][C@H]1[C@@H](CCCC1(C)C)OCC[*:1]
CCCCCCO[C@@H]1CCCC(C)(C)[C@H]1[NH2+]C CCCCC[*:1] C[NH2+][C@H]1[C@@H](CCCC1(C)C)OC[*:1]
CONC(=O)c1ccccc1SCc1c(C)noc1C CONC(=O)[*:1] Cc1noc(C)c1CSc1ccccc1[*:1]
COc1cccc(C(=O)N2CCC[NH+](Cc3csc(C)n3)CC2)c1 Cc1nc(cs1)C[*:1] COc1cccc(c1)C(=O)N1CCC[NH+](CC1)[*:1]
COc1cccc(C(=O)N2CCC[NH+](Cc3csc(C)n3)CC2)c1 Cc1nc(cs1)[*:1] COc1cccc(c1)C(=O)N1CCC[NH+](CC1)C[*:1]
COc1cccc(C(=O)N2CCC[NH+](Cc3csc(C)n3)CC2)c1 COc1cccc(c1)[*:1] Cc1nc(cs1)C[NH+]1CCCN(CC1)C(=O)[*:1]
CCCCN(C)C(=O)C(=O)Nc1ccccc1C(F)(F)F CCCC[*:1] CN(C(=O)C(=O)Nc1ccccc1C(F)(F)F)[*:1]
CCCCN(C)C(=O)C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] CCCCN(C)C(=O)C(=O)Nc1ccccc1[*:1]
CCCCN(C)C(=O)C(=O)Nc1ccccc1C(F)(F)F CCC[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccccc1C(F)(F)F
C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1c(=O)oc2ccccc21 FC(F)(F)[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])n1c(=O)oc2ccccc21
C[C@@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)c1cccc(Cl)c1 c1ncn(C[*:1])n1 C[C@@H](NC(=O)NCc1ccc(cc1)[*:1])c1cccc(Cl)c1
C[C@@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)c1cccc(Cl)c1 c1ncn(n1)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)C[*:1])c1cccc(Cl)c1
C[C@@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)Cn1cncn1)[*:1]
COc1ccc(C2=NO[C@H](CN(Cc3ccccc3Cl)C(=O)C3CCC3)C2)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)C1C[C@@H](CN(C(=O)C2CCC2)[*:1])ON=1
COc1ccc(C2=NO[C@H](CN(Cc3ccccc3Cl)C(=O)C3CCC3)C2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)C1C[C@@H](CN(C[*:1])C(=O)C2CCC2)ON=1
COc1ccc(C2=NO[C@H](CN(Cc3ccccc3Cl)C(=O)C3CCC3)C2)cc1 COc1ccc(cc1)[*:1] O=C(C1CCC1)N(Cc1ccccc1Cl)C[C@@H]1CC(=NO1)[*:1]
COc1ccc(C2=NO[C@H](CN(Cc3ccccc3Cl)C(=O)C3CCC3)C2)cc1 C1CC(C1)[*:1] COc1ccc(cc1)C1C[C@@H](CN(Cc2ccccc2Cl)C(=O)[*:1])ON=1
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)C[C@H](C)O)c1 CC[C@@H](C#N)[*:1] C[C@H](O)CN(C)C(=O)NCc1cccc(c1)O[*:1]
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)C[C@H](C)O)c1 C[C@H](O)[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)N(C)C[*:1]
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)C[C@H](C)O)c1 C[C@H](O)C[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)N(C)[*:1]
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)C[C@H](C)O)c1 CC[C@@H](C#N)O[*:1] C[C@H](O)CN(C)C(=O)NCc1cccc(c1)[*:1]
O=C(C[C@H](O)c1ccc(Cl)cc1)NCCCN1CCCC1=O Clc1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])NCCCN1CCCC1=O
O=C(C[C@H](O)c1ccc(Cl)cc1)NCCCN1CCCC1=O O=C1CCCN1C[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)NCC[*:1]
O=C(C[C@H](O)c1ccc(Cl)cc1)NCCCN1CCCC1=O O=C1CCCN1[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)NCCC[*:1]
Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)[C@@H](C)C[*:1]
Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)[C@@H](C)Cc1cccs1 Cc1ccccc1[*:1] C[C@H]([NH3+])[C@H](N(C)[C@@H](C)Cc1cccs1)[*:1]
Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)[C@@H](C)[*:1]
O=C(N1CCO[C@@]2(C[NH2+]CCOC2)C1)C1(c2ccc(Cl)cc2)CCCCC1 Clc1ccc(cc1)[*:1] O=C(N1CCO[C@@]2(C[NH2+]CCOC2)C1)C1(CCCCC1)[*:1]
O=C(Nc1ccc(N2CCOC2=O)cc1)N1C[C@H]2CCCC[C@@H]2C1 O=C1OCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])N1C[C@H]2CCCC[C@@H]2C1
COC(=O)[C@H](C)[C@H](C)S[C@@H]1CCC[C@@H](C)C1 COC(=O)[*:1] C[C@H](S[C@@H]1CCC[C@@H](C)C1)[C@@H](C)[*:1]
Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 Cc1ccnc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1
Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 c1cc2CCCc2cc1[*:1] Cc1ccnc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc([N+](=O)[O-])c(N2CCOCC2)c1C#N O=[N+]([O-])[*:1] COc1ccc(c(c1C#N)N1CCOCC1)[*:1]
COc1ccc([N+](=O)[O-])c(N2CCOCC2)c1C#N C1CN(CCO1)[*:1] COc1ccc(c(c1C#N)[*:1])[N+](=O)[O-]
Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(N)=O)cc2)c1 NC(=O)C[*:1] Cc1cccc(c1)N1C(=O)c2ccccc2N[C@H]1c1ccc(cc1)O[*:1]
Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(N)=O)cc2)c1 NC(=O)[*:1] Cc1cccc(c1)N1C(=O)c2ccccc2N[C@H]1c1ccc(cc1)OC[*:1]
Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(N)=O)cc2)c1 NC(=O)CO[*:1] Cc1cccc(c1)N1C(=O)c2ccccc2N[C@H]1c1ccc(cc1)[*:1]
Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(N)=O)cc2)c1 Cc1cccc(c1)[*:1] NC(=O)COc1ccc(cc1)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
CC(=O)NC(=S)Nc1cccc(C(=O)N2CCCCC2)c1 CC(=O)NC(=S)N[*:1] O=C(c1cccc(c1)[*:1])N1CCCCC1
Cc1cc(=O)[nH]c(S[C@H]2CC[C@@]([NH2+]C3CC3)(C(N)=O)C2)n1 C1CC1[*:1] Cc1cc(=O)[nH]c(n1)S[C@H]1CC[C@@](C1)([NH2+][*:1])C(N)=O
Cc1cc(=O)[nH]c(S[C@H]2CC[C@@]([NH2+]C3CC3)(C(N)=O)C2)n1 NC(=O)[*:1] Cc1cc(=O)[nH]c(n1)S[C@H]1CC[C@](C1)([NH2+]C1CC1)[*:1]
O=C(CC[C@H]1CCCO1)NC1(c2ccc(Cl)cc2)CCOCC1 C1CO[C@H](C1)[*:1] O=C(CC[*:1])NC1(CCOCC1)c1ccc(Cl)cc1
O=C(CC[C@H]1CCCO1)NC1(c2ccc(Cl)cc2)CCOCC1 C1CO[C@H](C1)CC[*:1] O=C(NC1(CCOCC1)c1ccc(Cl)cc1)[*:1]
O=C(CC[C@H]1CCCO1)NC1(c2ccc(Cl)cc2)CCOCC1 Clc1ccc(cc1)[*:1] O=C(CC[C@H]1CCCO1)NC1(CCOCC1)[*:1]
O=C(CC[C@H]1CCCO1)NC1(c2ccc(Cl)cc2)CCOCC1 C1CO[C@H](C1)C[*:1] O=C(C[*:1])NC1(CCOCC1)c1ccc(Cl)cc1
CC(=O)N1N=C(c2ccc(C(C)C)cc2)O[C@H]1COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N1N=C(O[C@H]1CO[*:1])c1ccc(cc1)C(C)C
CC(=O)N1N=C(c2ccc(C(C)C)cc2)O[C@H]1COc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] CC(=O)N1N=C(O[C@H]1C[*:1])c1ccc(cc1)C(C)C
CC(=O)N1N=C(c2ccc(C(C)C)cc2)O[C@H]1COc1ccc(Cl)cc1 CC(C)[*:1] CC(=O)N1N=C(O[C@H]1COc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
Cc1cc(NCC2(N3CCCCC3)CC[NH+](C)CC2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])NCC1(CC[NH+](C)CC1)N1CCCCC1
Cc1cc(NCC2(N3CCCCC3)CC[NH+](C)CC2)ncc1[N+](=O)[O-] C1CCN(CC1)[*:1] Cc1cc(ncc1[N+](=O)[O-])NCC1(CC[NH+](C)CC1)[*:1]
CC(C)C[C@@](C)(NC(=O)c1ccnc(OC2CCCCC2)c1)C(N)=O C1CCC(CC1)O[*:1] CC(C)C[C@@](C)(NC(=O)c1ccnc(c1)[*:1])C(N)=O
CC(C)C[C@@](C)(NC(=O)c1ccnc(OC2CCCCC2)c1)C(N)=O CC(C)C[*:1] C[C@@](NC(=O)c1ccnc(c1)OC1CCCCC1)(C(N)=O)[*:1]
CC(C)C[C@@](C)(NC(=O)c1ccnc(OC2CCCCC2)c1)C(N)=O C1CCC(CC1)[*:1] CC(C)C[C@@](C)(NC(=O)c1ccnc(c1)O[*:1])C(N)=O
CC(C)C[C@@](C)(NC(=O)c1ccnc(OC2CCCCC2)c1)C(N)=O NC(=O)[*:1] CC(C)C[C@@](C)(NC(=O)c1ccnc(c1)OC1CCCCC1)[*:1]
CC(C)C[C@@](C)(NC(=O)c1ccnc(OC2CCCCC2)c1)C(N)=O CC(C)[*:1] C[C@](C[*:1])(NC(=O)c1ccnc(c1)OC1CCCCC1)C(N)=O
COCCN(Cc1ccoc1)C(=O)c1cc(C)ccc1C COCC[*:1] Cc1ccc(C)c(c1)C(=O)N(Cc1ccoc1)[*:1]
COCCN(Cc1ccoc1)C(=O)c1cc(C)ccc1C c1cc(co1)C[*:1] COCCN(C(=O)c1cc(C)ccc1C)[*:1]
COCCN(Cc1ccoc1)C(=O)c1cc(C)ccc1C COC[*:1] Cc1ccc(C)c(c1)C(=O)N(Cc1ccoc1)C[*:1]
COCCN(Cc1ccoc1)C(=O)c1cc(C)ccc1C c1cc(co1)[*:1] COCCN(C[*:1])C(=O)c1cc(C)ccc1C
CC[C@@](C)(NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NS(=O)(=O)c1ccc(F)c(Cl)c1)[*:1]
C[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)Nc1cccc(C#N)c1 Clc1ccccc1[*:1] C[C@H](Sc1nnc(n1C)[*:1])C(=O)Nc1cccc(C#N)c1
C[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)N[*:1]
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)C3CCCCC3)[C@@H]2SC1 CC(=O)OC[*:1] O=C([O-])C1=C(CS[C@H]2[C@@H](NC(=O)C3CCCCC3)C(=O)N12)[*:1]
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)C3CCCCC3)[C@@H]2SC1 O=C([O-])[*:1] CC(=O)OCC1CS[C@H]2[C@@H](NC(=O)C3CCCCC3)C(=O)N2C=1[*:1]
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)C3CCCCC3)[C@@H]2SC1 C1CCC(CC1)[*:1] CC(=O)OCC1CS[C@H]2[C@@H](NC(=O)[*:1])C(=O)N2C=1C(=O)[O-]
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)C3CCCCC3)[C@@H]2SC1 CC(=O)O[*:1] O=C([O-])C1=C(CS[C@H]2[C@@H](NC(=O)C3CCCCC3)C(=O)N12)C[*:1]
CC(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCCCC2=O)cc1 CC(C)[*:1] O=C1CCCCN1CC(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
CC(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCCCC2=O)cc1 O=C1CCCCN1[*:1] CC(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)C[*:1]
CC(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCCCC2=O)cc1 O=C1CCCCN1C[*:1] CC(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)[*:1]
CC(C)COCCNC(=O)Nc1ccccc1N1CCCCC1 CC(C)C[*:1] O=C(NCCO[*:1])Nc1ccccc1N1CCCCC1
CC(C)COCCNC(=O)Nc1ccccc1N1CCCCC1 CC(C)COC[*:1] O=C(NC[*:1])Nc1ccccc1N1CCCCC1
CC(C)COCCNC(=O)Nc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] CC(C)COCCNC(=O)Nc1ccccc1[*:1]
CC(C)COCCNC(=O)Nc1ccccc1N1CCCCC1 CC(C)COCC[*:1] O=C(Nc1ccccc1N1CCCCC1)N[*:1]
CC(C)COCCNC(=O)Nc1ccccc1N1CCCCC1 CC(C)CO[*:1] O=C(NCC[*:1])Nc1ccccc1N1CCCCC1
CC(C)COCCNC(=O)Nc1ccccc1N1CCCCC1 CC(C)[*:1] O=C(NCCOC[*:1])Nc1ccccc1N1CCCCC1
Cc1nccn1-c1cc(CNC(=O)N2CCC[C@H](C)C2)ccn1 Cc1nccn1[*:1] C[C@H]1CCCN(C1)C(=O)NCc1ccnc(c1)[*:1]
CN1c2ccccc2C(=O)N[C@H]1c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CN1c2ccccc2C(=O)N[C@H]1c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cc1 CC(=O)N[*:1] C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C(=O)Nc1ccc(cc1)[*:1]
CN(C)C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 CN(C)C(=O)C[*:1] C1C[C@H](CO1)C[NH+]1CCN(CC1)[*:1]
CN(C)C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 CN(C)C(=O)[*:1] C1C[C@H](CO1)C[NH+]1CCN(CC1)C[*:1]
CN(C)C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1 C1C[C@H](CO1)[*:1] CN(C)C(=O)CN1CC[NH+](CC1)C[*:1]
O=C(c1ccccc1O)N1CCC[C@@H]1COc1ccccc1 c1ccc(cc1)O[*:1] O=C(c1ccccc1O)N1CCC[C@@H]1C[*:1]
O=C(c1ccccc1O)N1CCC[C@@H]1COc1ccccc1 Oc1ccccc1[*:1] O=C(N1CCC[C@@H]1COc1ccccc1)[*:1]
O=C(c1ccccc1O)N1CCC[C@@H]1COc1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccccc1O)N1CCC[C@@H]1CO[*:1]
Cc1csc(C(=O)N2CCN(C[C@H](O)c3cccs3)CC2)c1 O[C@H](c1cccs1)[*:1] Cc1csc(c1)C(=O)N1CCN(CC1)C[*:1]
Cc1csc(C(=O)N2CCN(C[C@H](O)c3cccs3)CC2)c1 c1csc(c1)[*:1] Cc1csc(c1)C(=O)N1CCN(CC1)C[C@H](O)[*:1]
Cc1csc(C(=O)N2CCN(C[C@H](O)c3cccs3)CC2)c1 Cc1csc(c1)[*:1] O=C(N1CCN(CC1)C[C@H](O)c1cccs1)[*:1]
CCC[NH2+][C@@H](Cc1ccc(F)cc1Br)[C@@H](C)OC CO[C@H](C)[*:1] CCC[NH2+][C@@H](Cc1ccc(F)cc1Br)[*:1]
CCC[NH2+][C@@H](Cc1ccc(F)cc1Br)[C@@H](C)OC CCC[*:1] CO[C@H](C)[C@H](Cc1ccc(F)cc1Br)[NH2+][*:1]
C[NH2+][C@H](Cc1ccccc1)[C@H]1CCOC2(CCCCC2)C1 c1ccc(cc1)C[*:1] C[NH2+][C@H]([C@H]1CCOC2(CCCCC2)C1)[*:1]
C[NH2+][C@H](Cc1ccccc1)[C@H]1CCOC2(CCCCC2)C1 c1ccc(cc1)[*:1] C[NH2+][C@H](C[*:1])[C@H]1CCOC2(CCCCC2)C1
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NC2CCN(c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NC1CCN(CC1)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C(C)C)N3C[C@@H](C)O[C@H](C)C3)n2)cc1 CC(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1])N1C[C@@H](C)O[C@H](C)C1
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C(C)C)N3C[C@@H](C)O[C@H](C)C3)n2)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)[C@H](N1C[C@@H](C)O[C@H](C)C1)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C(C)C)N3C[C@@H](C)O[C@H](C)C3)n2)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)Nc1nc(cs1)[*:1])N1C[C@@H](C)O[C@H](C)C1
Cc1ccc(-c2cc(CNC(=O)NCCN3CCOCC3)on2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)-c1cc(CNC(=O)NC[*:1])on1
Cc1ccc(-c2cc(CNC(=O)NCCN3CCOCC3)on2)cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)-c1cc(CNC(=O)N[*:1])on1
Cc1ccc(-c2cc(CNC(=O)NCCN3CCOCC3)on2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)NCc1cc(no1)[*:1]
Cc1ccc(-c2cc(CNC(=O)NCCN3CCOCC3)on2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)-c1cc(CNC(=O)NCC[*:1])on1
O=c1oc2cccnc2n1CCSCCC1CCCC1 C1CCC(C1)[*:1] O=c1oc2cccnc2n1CCSCC[*:1]
O=c1oc2cccnc2n1CCSCCC1CCCC1 C1CCC(C1)C[*:1] O=c1oc2cccnc2n1CCSC[*:1]
OCCc1cnn(-c2cccc(C[NH+]3CCCC3)c2)c1 OCC[*:1] c1cc(cc(c1)-n1cc(cn1)[*:1])C[NH+]1CCCC1
COc1ccc([C@@H](C)NC(=O)CCC2CCCC2)cc1OC C1CCC(C1)C[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)C[*:1]
COc1ccc([C@@H](C)NC(=O)CCC2CCCC2)cc1OC C1CCC(C1)[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)CC[*:1]
COc1ccc([C@@H](C)NC(=O)CCC2CCCC2)cc1OC C1CCC(C1)CC[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)[*:1]
O=C(CCOc1ccccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1 Fc1ccccc1[*:1] O=C(CCO[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
COc1ccc(C(=O)C[C@H](C)CC(=O)[O-])c(OC)c1 O=C([O-])[*:1] COc1ccc(C(=O)C[C@H](C)C[*:1])c(c1)OC
COc1ccc(C(=O)C[C@H](C)CC(=O)[O-])c(OC)c1 O=C([O-])C[*:1] COc1ccc(C(=O)C[C@H](C)[*:1])c(c1)OC
COc1ccc(C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cn1 CN(C)C(=O)[*:1] COc1ccc(cn1)C(=O)Nc1ccc(C)c(c1)[*:1]
CCC[C@@H](C)C(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1 CCC[*:1] COc1ccc(Cl)cc1CN1CCN(CC1)C(=O)[C@H](C)[*:1]
CO[C@H](CNS(=O)(=O)c1cnn(C)c1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](CNS(=O)(=O)c1cnn(C)c1)[*:1]
CO[C@H](CNS(=O)(=O)c1cnn(C)c1)c1ccccc1 Cn1cc(cn1)[*:1] CO[C@H](CNS(=O)(=O)[*:1])c1ccccc1
N#C[C@@H]1CNCCN1Cc1nnc(-c2ccccc2Br)o1 Brc1ccccc1[*:1] N#C[C@@H]1CNCCN1Cc1nnc(o1)[*:1]
C=C(C)C[C@@]1(C(=O)[O-])COc2ccccc2C1 C=C(C)[*:1] O=C([O-])[C@@]1(COc2ccccc2C1)C[*:1]
C=C(C)C[C@@]1(C(=O)[O-])COc2ccccc2C1 O=C([O-])[*:1] C=C(C)C[C@]1(COc2ccccc2C1)[*:1]
C=C(C)C[C@@]1(C(=O)[O-])COc2ccccc2C1 C=C(C)C[*:1] O=C([O-])[C@]1(COc2ccccc2C1)[*:1]
CCOc1ccnc(N2CCN(C(=O)c3cc[nH]n3)CC2)n1 c1cc(n[nH]1)[*:1] CCOc1ccnc(n1)N1CCN(CC1)C(=O)[*:1]
CCOc1ccnc(N2CCN(C(=O)c3cc[nH]n3)CC2)n1 CCO[*:1] O=C(c1cc[nH]n1)N1CCN(CC1)c1nccc(n1)[*:1]
CC(=O)Nc1ccc(NC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)COc1ncnc2scc(c12)[*:1]
CC(=O)Nc1ccc(NC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 CC(=O)N[*:1] O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)N[*:1]
CCN(C(=O)N(C)Cc1cccc(C)n1)C(C)(C)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] CCN(C(=O)N(C)Cc1cccc(C)n1)[*:1]
CCN(C(=O)N(C)Cc1cccc(C)n1)C(C)(C)C(=O)[O-] Cc1cccc(n1)[*:1] CCN(C(=O)N(C)C[*:1])C(C)(C)C(=O)[O-]
CCN(C(=O)N(C)Cc1cccc(C)n1)C(C)(C)C(=O)[O-] O=C([O-])[*:1] CCN(C(=O)N(C)Cc1cccc(C)n1)C(C)(C)[*:1]
Cc1nc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)cs1 Cc1nc(cs1)[*:1] O=C(N1CCC[C@@H](CCc2c(F)cccc2F)C1)[*:1]
Cc1nc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)cs1 Fc1cccc(F)c1[*:1] Cc1nc(cs1)C(=O)N1CCC[C@@H](CC[*:1])C1
CN(C(=O)c1cccn1CC(=O)[O-])C1CCC(C)(C)CC1 O=C([O-])[*:1] CN(C(=O)c1cccn1C[*:1])C1CCC(C)(C)CC1
CN(C(=O)c1cccn1CC(=O)[O-])C1CCC(C)(C)CC1 O=C([O-])C[*:1] CN(C(=O)c1cccn1[*:1])C1CCC(C)(C)CC1
COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)C(=O)N(Cc1cc2cc3OCOc3cc2[nH]c1=O)C[*:1]
COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1ccc(OC)cc1 COCC[*:1] COc1ccc(cc1)C(=O)N(Cc1cc2cc3OCOc3cc2[nH]c1=O)[*:1]
COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COCCN(Cc1cc2cc3OCOc3cc2[nH]c1=O)C(=O)[*:1]
Cc1ccc(NC(=O)NC(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[NH+](CC(=O)NC(=O)N[*:1])CC(=O)Nc1ccccc1Cl
Cc1ccc(NC(=O)NC(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)c(C)c1 Clc1ccccc1[*:1] Cc1ccc(NC(=O)NC(=O)C[NH+](C)CC(=O)N[*:1])c(C)c1
CO/N=C(/C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1)c1ccco1 c1coc(c1)[*:1] CO/N=C(/C(=O)Nc1ccc(cc1)CN(C(C)=O)C1CC1)[*:1]
CO/N=C(/C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1)c1ccco1 CC(=O)N(C1CC1)[*:1] CO/N=C(/C(=O)Nc1ccc(cc1)C[*:1])c1ccco1
CO/N=C(/C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1)c1ccco1 CC(=O)N(C[*:1])C1CC1 CO/N=C(/C(=O)Nc1ccc(cc1)[*:1])c1ccco1
CO/N=C(/C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1)c1ccco1 C1CC1[*:1] CO/N=C(/C(=O)Nc1ccc(cc1)CN(C(C)=O)[*:1])c1ccco1
O=C(Cc1n[nH]c2ccccc12)Nc1scnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1n[nH]c2ccccc12)Nc1scnc1[*:1]
CCN(C(=O)[C@H](C)N1CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)[C@H](C)N1CC[NH+](CC1)CC(=O)Nc1ccc(C)cc1)[*:1]
CCN(C(=O)[C@H](C)N1CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1)C1CCCCC1 Cc1ccc(cc1)NC(=O)[*:1] CCN(C(=O)[C@H](C)N1CC[NH+](CC1)C[*:1])C1CCCCC1
CCN(C(=O)[C@H](C)N1CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1)C1CCCCC1 Cc1ccc(cc1)[*:1] CCN(C(=O)[C@H](C)N1CC[NH+](CC1)CC(=O)N[*:1])C1CCCCC1
Cc1cc(NC(=O)C2CCOCC2)ccc1C(=O)N(C)C C1CC(CCO1)[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)[*:1]
Cc1cc(NC(=O)C2CCOCC2)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)C1CCOCC1
O=C([O-])C[C@H]([NH2+]Cc1ccccc1C1CC1)c1cccs1 C1CC1[*:1] O=C([O-])C[C@H]([NH2+]Cc1ccccc1[*:1])c1cccs1
O=C([O-])C[C@H]([NH2+]Cc1ccccc1C1CC1)c1cccs1 O=C([O-])[*:1] c1csc(c1)[C@H](C[*:1])[NH2+]Cc1ccccc1C1CC1
O=C([O-])C[C@H]([NH2+]Cc1ccccc1C1CC1)c1cccs1 c1csc(c1)[*:1] O=C([O-])C[C@H]([NH2+]Cc1ccccc1C1CC1)[*:1]
CC[C@H](Nc1ccc2nnc(C)n2n1)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)CO[*:1] CC[C@H](Nc1ccc2nnc(C)n2n1)c1ccccc1[*:1]
CC[C@H](Nc1ccc2nnc(C)n2n1)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)[*:1] CC[C@H](Nc1ccc2nnc(C)n2n1)c1ccccc1OC[*:1]
CC[C@H](Nc1ccc2nnc(C)n2n1)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)C[*:1] CC[C@H](Nc1ccc2nnc(C)n2n1)c1ccccc1O[*:1]
CCN(C(=O)CSc1nnnn1-c1ccccc1C)[C@H]1CCS(=O)(=O)C1 Cc1ccccc1[*:1] CCN(C(=O)CSc1nnnn1[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)C1CCC([NH+]2CCCN(c3cccnn3)CC2)CC1 CC(C)[*:1] c1cnnc(c1)N1CCC[NH+](CC1)C1CCC(CC1)[*:1]
CC(C)C1CCC([NH+]2CCCN(c3cccnn3)CC2)CC1 c1cnnc(c1)[*:1] CC(C)C1CCC(CC1)[NH+]1CCCN(CC1)[*:1]
C=CC/[NH+]=C(\NCC)N[C@H]1CC[C@@H](SC)C1 C=CC[*:1] CCNC(N[C@H]1CC[C@H](C1)SC)=[NH+][*:1]
CC(C)(C)[NH2+]CCc1nc([C@@H]2CSCCS2)no1 C1CS[C@@H](CS1)[*:1] CC(C)(C)[NH2+]CCc1nc(no1)[*:1]
CC(C)(C)[NH2+]CCc1nc([C@@H]2CSCCS2)no1 CC(C)(C)[*:1] C(Cc1nc(no1)[C@@H]1CSCCS1)[NH2+][*:1]
CC(C)(C)[NH2+]CCc1nc([C@@H]2CSCCS2)no1 CC(C)(C)[NH2+]C[*:1] C1CS[C@@H](CS1)c1noc(C[*:1])n1
COCc1nc(C)cc(N[C@H](Cc2ccc(C)cc2)c2ccccn2)n1 Cc1ccc(cc1)C[*:1] COCc1nc(C)cc(n1)N[C@H](c1ccccn1)[*:1]
COCc1nc(C)cc(N[C@H](Cc2ccc(C)cc2)c2ccccn2)n1 Cc1ccc(cc1)[*:1] COCc1nc(C)cc(n1)N[C@H](C[*:1])c1ccccn1
COCc1nc(C)cc(N[C@H](Cc2ccc(C)cc2)c2ccccn2)n1 COC[*:1] Cc1ccc(cc1)C[C@@H](Nc1cc(C)nc(n1)[*:1])c1ccccn1
COCc1nc(C)cc(N[C@H](Cc2ccc(C)cc2)c2ccccn2)n1 c1ccc(nc1)[*:1] COCc1nc(C)cc(n1)N[C@H](Cc1ccc(C)cc1)[*:1]
CCOC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl Clc1ccccc1[*:1] CCOC(=O)N/N=C/c1ccccc1OC[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCC(C)C)C1 CC(C)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C1)C(=O)OC[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCC(C)C)C1 Cc1noc(C)c1[*:1] CC(C)COC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCC(C)C)C1 CC(C)C[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C1)C(=O)O[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCC(C)C)C1 CC(C)COC(=O)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C1)[*:1]
COC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 O=C1CC[C@@H](N1)[*:1] COC(=O)C1CCN(CC1)C(=O)[*:1]
COC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 COC(=O)[*:1] O=C1CC[C@@H](N1)C(=O)N1CCC(CC1)[*:1]
Cn1cc(C#N)cc1C(=O)N[C@@H](CC(N)=O)C1CCCCC1 NC(=O)C[*:1] Cn1cc(C#N)cc1C(=O)N[C@@H](C1CCCCC1)[*:1]
Cn1cc(C#N)cc1C(=O)N[C@@H](CC(N)=O)C1CCCCC1 C1CCC(CC1)[*:1] Cn1cc(C#N)cc1C(=O)N[C@@H](CC(N)=O)[*:1]
Cn1cc(C#N)cc1C(=O)N[C@@H](CC(N)=O)C1CCCCC1 NC(=O)[*:1] Cn1cc(C#N)cc1C(=O)N[C@@H](C[*:1])C1CCCCC1
Cn1nccc1C(=O)Nc1cc(C(F)(F)F)ccc1F Cn1nccc1[*:1] O=C(Nc1cc(ccc1F)C(F)(F)F)[*:1]
Cn1nccc1C(=O)Nc1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] Cn1nccc1C(=O)Nc1cc(ccc1F)[*:1]
O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCO1)c1ccc(Cl)c(c1)[*:1]
CCC[C@H](NC(=O)c1ccc(C#N)cn1)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1ccc(C#N)cn1)[*:1]
CCC[C@H](NC(=O)c1ccc(C#N)cn1)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1ccc(C#N)cn1)[*:1]
C[C@H](C(=O)[O-])[C@H](C)N1CCN(S(C)(=O)=O)CC1 O=C([O-])[*:1] C[C@@H]([C@@H](C)[*:1])N1CCN(CC1)S(C)(=O)=O
C[C@H](NC(=O)NCCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](NC(=O)NCCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)NCCc1ccccc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NCCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](NC(=O)NCCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCC[*:1])c1ccc(cc1)S(C)(=O)=O
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1SC[C@H]1CCCO1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)c1ccccc1SC[C@H]1CCCO1)[*:1]
C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(CCc2ccccc2)ccc1O c1ccc(cc1)CC[*:1] C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(ccc1O)[*:1]
C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(CCc2ccccc2)ccc1O c1ccc(cc1)[*:1] C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(ccc1O)CC[*:1]
C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(CCc2ccccc2)ccc1O c1ccc(cc1)C[*:1] C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(ccc1O)C[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(SC)nc2)C1 CCC[C@@H](C)[*:1] CSc1ccc(cn1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(SC)nc2)C1 CCC[C@@H](C)NC(=O)[*:1] CSc1ccc(cn1)C(=O)N1CCC[C@@H](C1)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(SC)nc2)C1 CSc1ccc(cn1)[*:1] CCC[C@@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(SC)nc2)C1 CCC[*:1] CSc1ccc(cn1)C(=O)N1CCC[C@@H](C1)C(=O)N[C@H](C)[*:1]
O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@@H]1CCCc2ccccc21 Fc1ccccc1[*:1] O=C(NCCN1C(=O)SC(=C[*:1])C1=O)[C@@H]1CCCc2ccccc21
C[C@H](NC(=O)c1ccc(-c2ccc(Br)cc2)s1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](NC(=O)c1ccc(s1)-c1ccc(Br)cc1)[*:1]
C[C@H](NC(=O)c1ccc(-c2ccc(Br)cc2)s1)C(=O)N(C)C C[C@H](C(=O)N(C)C)[*:1] O=C(N[*:1])c1ccc(s1)-c1ccc(Br)cc1
C[C@H](NC(=O)c1ccc(-c2ccc(Br)cc2)s1)C(=O)N(C)C Brc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(s1)[*:1])C(=O)N(C)C
Clc1ccc(OCc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 Clc1ccc(cc1)O[*:1] c1ccc2c(c[nH]c2c1)-c1nn2c(C[*:1])nnc2s1
Clc1ccc(OCc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 Clc1ccc(cc1)[*:1] c1ccc2c(c[nH]c2c1)-c1nn2c(CO[*:1])nnc2s1
COc1ccc([C@@H](C)OC(=O)CCc2nc(C)no2)cc1F Cc1noc(n1)[*:1] COc1ccc(cc1F)[C@@H](C)OC(=O)CC[*:1]
COc1ccc([C@@H](C)OC(=O)CCc2nc(C)no2)cc1F Cc1noc(C[*:1])n1 COc1ccc(cc1F)[C@@H](C)OC(=O)C[*:1]
Cc1nc[nH]c1-c1nccn1C1CCN(C(=O)c2ccncc2)CC1 Cc1nc[nH]c1[*:1] O=C(c1ccncc1)N1CCC(CC1)n1ccnc1[*:1]
Cc1nc[nH]c1-c1nccn1C1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] Cc1nc[nH]c1-c1nccn1C1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)NC1CC1 Fc1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)NC1CC1)C(=O)N[C@@H](C)[*:1]
COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)NC1CC1 C[C@@H](c1ccc(F)cc1)[*:1] COc1ccc(cc1S(=O)(=O)NC1CC1)C(=O)N[*:1]
COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)NC1CC1 O=S(=O)(NC1CC1)[*:1] COc1ccc(cc1[*:1])C(=O)N[C@@H](C)c1ccc(F)cc1
COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)NC1CC1 C1CC1[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N[C@@H](C)c1ccc(F)cc1
COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1OC COC(=O)[*:1] COc1ccccc1NS(=O)(=O)c1c(C)oc(C)c1[*:1]
CC(=O)Nc1cc(-c2ccc(C)cc2)nn([C@H](C)C(=O)N2CCc3ccccc32)c1=O CC(=O)N[*:1] Cc1ccc(cc1)-c1cc(c(=O)n(n1)[C@H](C)C(=O)N1CCc2ccccc21)[*:1]
CC(=O)Nc1cc(-c2ccc(C)cc2)nn([C@H](C)C(=O)N2CCc3ccccc32)c1=O Cc1ccc(cc1)[*:1] CC(=O)Nc1cc(nn(c1=O)[C@H](C)C(=O)N1CCc2ccccc21)[*:1]
C[C@@H]1CCC[C@H](S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(N)=O)C2)C1 C[C@@H]1CCC[C@H](C1)[*:1] NC(=O)[C@]1(CCC[C@H](C1)S[*:1])[NH2+]C1CC1
C[C@@H]1CCC[C@H](S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(N)=O)C2)C1 NC(=O)[*:1] C[C@@H]1CCC[C@@H](C1)S[C@@H]1CCC[C@@](C1)([NH2+]C1CC1)[*:1]
C[C@@H]1CCC[C@H](S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(N)=O)C2)C1 C1CC1[*:1] C[C@@H]1CCC[C@@H](C1)S[C@@H]1CCC[C@](C1)([NH2+][*:1])C(N)=O
O=C(N[C@@H]1CCCCC[C@H]1C(=O)[O-])c1ccc(Cl)o1 O=C([O-])[*:1] O=C(N[C@@H]1CCCCC[C@@H]1[*:1])c1ccc(Cl)o1
O=C(N[C@@H]1CCCCC[C@H]1C(=O)[O-])c1ccc(Cl)o1 Clc1ccc(o1)[*:1] O=C([O-])[C@@H]1CCCCC[C@H]1NC(=O)[*:1]
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCCCCC1 N#Cc1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)N1CCCCCC1)O[*:1]
Cc1cccc(OCC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1 Cc1cccc(c1)[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)CO[*:1]
Cc1cccc(OCC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1 Cc1cccc(c1)O[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)C[*:1]
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc12 CC(C)(C)NC(=O)[*:1] Cc1nn(-c2ccc(Cl)cc2)c2sc(cc12)C(=O)O[C@H](C)[*:1]
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc12 CC(C)(C)[*:1] Cc1nn(-c2ccc(Cl)cc2)c2sc(cc12)C(=O)O[C@H](C)C(=O)N[*:1]
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc12 Clc1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)O[C@H](C)C(=O)NC(C)(C)C)[*:1]
CCC(CC)([NH2+][C@H]1CCCC[C@@H]1O)C(=O)[O-] O=C([O-])[*:1] CCC(CC)([NH2+][C@H]1CCCC[C@@H]1O)[*:1]
NCc1ccc(C(F)(F)F)nc1Oc1cc(Cl)ccc1Cl FC(F)(F)[*:1] NCc1ccc(nc1Oc1cc(Cl)ccc1Cl)[*:1]
CCN(CC)S(=O)(=O)c1ccc(NC(=O)NCc2ccccn2)cc1 c1ccc(C[*:1])nc1 CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)N[*:1]
CCN(CC)S(=O)(=O)c1ccc(NC(=O)NCc2ccccn2)cc1 c1ccc(nc1)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)NC[*:1]
CCN(CC)S(=O)(=O)c1ccc(NC(=O)NCc2ccccn2)cc1 CCN(CC)S(=O)(=O)[*:1] O=C(NCc1ccccn1)Nc1ccc(cc1)[*:1]
Cc1cc2nnc(SCC(=O)N3CCCC3)n2c2ccccc12 O=C(N1CCCC1)[*:1] Cc1cc2nnc(SC[*:1])n2c2ccccc12
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1cccc(c1)[*:1]
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 Clc1ccc(c(Br)c1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1cccc(c1)[N+](=O)[O-]
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1CCOCC1 O=[N+]([O-])[*:1] C[C@@H](Oc1ccc(Cl)cc1[*:1])C(=O)N(C)C1CCOCC1
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[*:1]
CCOCC(=O)NC[C@@](C)(O)c1cccs1 c1csc(c1)[*:1] CCOCC(=O)NC[C@@](C)(O)[*:1]
CCOCC(=O)NC[C@@](C)(O)c1cccs1 CCO[*:1] C[C@@](O)(CNC(=O)C[*:1])c1cccs1
CCOCC(=O)NC[C@@](C)(O)c1cccs1 CCOC[*:1] C[C@@](O)(CNC(=O)[*:1])c1cccs1
CC(C)c1cc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)n[nH]1 CC(C)[*:1] O=C(c1cc([nH]n1)[*:1])N1CCC(CC1)[C@H](O)c1ccc(F)cc1
CC(C)c1cc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)n[nH]1 Fc1ccc(cc1)[*:1] CC(C)c1cc(n[nH]1)C(=O)N1CCC(CC1)[C@H](O)[*:1]
CC(C)c1cc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)n[nH]1 CC(C)c1cc(n[nH]1)[*:1] O=C(N1CCC(CC1)[C@H](O)c1ccc(F)cc1)[*:1]
C[C@@H](NC(=O)CCOC[C@@H]1CCCO1)C1CCCCC1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)CCOC[*:1])C1CCCCC1
C[C@@H](NC(=O)CCOC[C@@H]1CCCO1)C1CCCCC1 C1CO[C@@H](C1)C[*:1] C[C@@H](NC(=O)CCO[*:1])C1CCCCC1
C[C@@H](NC(=O)CCOC[C@@H]1CCCO1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)CCOC[C@@H]1CCCO1)[*:1]
Cn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1ccncc1 c1cc(ccn1)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
CCc1nc(NCCS(=O)(=O)c2ccc(F)cc2)c2cnn(C)c2n1 Fc1ccc(cc1)[*:1] CCc1nc(NCCS(=O)(=O)[*:1])c2cnn(C)c2n1
Cc1ccc(NC(=O)C[C@@H](c2ccc3c(c2)OCO3)c2cnc3c(C)cccn23)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)NC(=O)C[C@@H](c1cnc2c(C)cccn12)[*:1]
Cc1ccc(NC(=O)C[C@@H](c2ccc3c(c2)OCO3)c2cnc3c(C)cccn23)cc1 Cc1cccn2c(cnc12)[*:1] Cc1ccc(cc1)NC(=O)C[C@@H](c1ccc2OCOc2c1)[*:1]
Cc1ccc(NC(=O)C[C@@H](c2ccc3c(c2)OCO3)c2cnc3c(C)cccn23)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1cccn2c(cnc12)[C@@H](C[*:1])c1ccc2OCOc2c1
Cc1ccc(NC(=O)C[C@@H](c2ccc3c(c2)OCO3)c2cnc3c(C)cccn23)cc1 Cc1ccc(cc1)[*:1] Cc1cccn2c(cnc12)[C@@H](CC(=O)N[*:1])c1ccc2OCOc2c1
C[C@@H](CCc1ccccc1F)C(=O)O[C@H](C)c1nccs1 c1csc(n1)[*:1] C[C@@H](CCc1ccccc1F)C(=O)O[C@H](C)[*:1]
C[C@@H](CCc1ccccc1F)C(=O)O[C@H](C)c1nccs1 C[C@H](c1nccs1)[*:1] C[C@@H](CCc1ccccc1F)C(=O)O[*:1]
C[C@@H](CCc1ccccc1F)C(=O)O[C@H](C)c1nccs1 Fc1ccccc1[*:1] C[C@@H](CC[*:1])C(=O)O[C@H](C)c1nccs1
Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2-c2ccccc2)C3=O)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1[*:1]
Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2-c2ccccc2)C3=O)no1 Cc1cc(no1)NC(=O)[*:1] O=C1c2ccc(cc2C(=O)N1c1ccccc1-c1ccccc1)[*:1]
Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2-c2ccccc2)C3=O)no1 Cc1cc(no1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1-c1ccccc1
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cscn2)NC(=S)N1C c1nc(cs1)[*:1] CC1=C(C(=O)Nc2ccccc2C)[C@@H](NC(=S)N1C)[*:1]
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cscn2)NC(=S)N1C Cc1ccccc1[*:1] CC1=C(C(=O)N[*:1])[C@H](NC(=S)N1C)c1cscn1
CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(Br)cn1C(C)C CC(C)OC(=O)[*:1] CC(C)n1cc(Br)cc1C(=O)NC[C@H](C)[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(Br)cn1C(C)C CC(C)[*:1] CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(Br)cn1[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(Br)cn1C(C)C CC(C)[*:1] CC(C)n1cc(Br)cc1C(=O)NC[C@H](C)C(=O)O[*:1]
COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(O)cc3)CC2=O)Nc2onc(C)c21 COc1ccccc1[*:1] Cc1noc2NC3C[C@H](CC(=O)C=3[C@H](c12)[*:1])c1ccc(O)cc1
COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(O)cc3)CC2=O)Nc2onc(C)c21 Oc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1C2C(=O)C[C@H](CC=2Nc2onc(C)c21)[*:1]
CC(C)Nc1cc(-n2ccnc2)ncn1 CC(C)N[*:1] c1cn(cn1)-c1cc(ncn1)[*:1]
CC(C)Nc1cc(-n2ccnc2)ncn1 CC(C)[*:1] c1cn(cn1)-c1cc(ncn1)N[*:1]
CC(C)Nc1cc(-n2ccnc2)ncn1 c1cn(cn1)[*:1] CC(C)Nc1cc(ncn1)[*:1]
CCn1c(CCNC(=O)c2cccc(N(C)C)c2)n[nH]c1=S CN(C)[*:1] CCn1c(CCNC(=O)c2cccc(c2)[*:1])n[nH]c1=S
CNC(=O)CC1CCN(C(=O)/C=C/c2ccccc2OC)CC1 CNC(=O)[*:1] COc1ccccc1/C=C/C(=O)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)/C=C/c2ccccc2OC)CC1 CNC(=O)C[*:1] COc1ccccc1/C=C/C(=O)N1CCC(CC1)[*:1]
O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(Nc1nc2CC[NH+](Cc3ccccc3)Cc2s1)[*:1]
O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)c1cccc(Cl)c1Cl c1ccc(cc1)[*:1] O=C(Nc1nc2CC[NH+](Cc2s1)C[*:1])c1cccc(Cl)c1Cl
O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)c1cccc(Cl)c1Cl c1ccc(cc1)C[*:1] O=C(Nc1nc2CC[NH+](Cc2s1)[*:1])c1cccc(Cl)c1Cl
Cc1n[nH]c(SCC(=O)NCc2csc(C3CC3)n2)n1 Cc1n[nH]c(n1)[*:1] O=C(CS[*:1])NCc1csc(n1)C1CC1
Cc1n[nH]c(SCC(=O)NCc2csc(C3CC3)n2)n1 C1CC1[*:1] Cc1n[nH]c(n1)SCC(=O)NCc1csc(n1)[*:1]
Cc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] Cc1cccc(c1)OCC(=O)Nc1cc(ccc1N1CCCCC1)[*:1]
Cc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)c1 C1CCN(CC1)[*:1] Cc1cccc(c1)OCC(=O)Nc1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1
Cc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCCCC1
Cc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCCCC1
Cc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)c1 Cc1cccc(c1)OC[*:1] O=C(Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCCCC1)[*:1]
O=C(NCc1nc(-c2cccs2)n[nH]1)[C@H]1CCCCN1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1nc(n[nH]1)-c1cccs1)[C@H]1CCCCN1C(=O)[*:1]
O=C(NCc1nc(-c2cccs2)n[nH]1)[C@H]1CCCCN1C(=O)c1ccccc1 c1csc(c1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])[C@H]1CCCCN1C(=O)c1ccccc1
C[NH+](C)C(C)(C)COCc1ccc(C(=O)NN)cc1 NNC(=O)[*:1] C[NH+](C)C(C)(C)COCc1ccc(cc1)[*:1]
COCc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1 c1ccc(cc1)O[*:1] COCc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
COCc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COCc1ccc(cc1)C[NH+]1CCC(CC1)O[*:1]
COCc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1 COC[*:1] c1ccc(cc1)OC1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(F)c2)c1 Fc1cccc(c1)C[*:1] O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(c1)[*:1]
O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(Cc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cnn(c1)C[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccccc2)C1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccccc2)C1 CCOC(=O)[*:1] C[C@H](NC(=O)N1CCC[C@H](C1)[*:1])c1ccccc1
C/[NH+]=C(/NCC1(c2cccc(F)c2)CCOCC1)N[C@@H]1C[C@@H]1C Fc1cccc(c1)[*:1] C/[NH+]=C(/NCC1(CCOCC1)[*:1])N[C@@H]1C[C@@H]1C
O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC(c2nc3ccccc3[nH]2)C1 c1ccc2[nH]c(nc2c1)[*:1] O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC(C1)[*:1]
CC(C)C(=O)N(C)Cc1ccc(C(=O)O[C@H](C)[C@@H]2CCOC2)cc1 CC(C)C(=O)N(C)C[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])[C@@H]1CCOC1
CC(C)C(=O)N(C)Cc1ccc(C(=O)O[C@H](C)[C@@H]2CCOC2)cc1 CC(C)[*:1] C[C@@H](OC(=O)c1ccc(cc1)CN(C)C(=O)[*:1])[C@@H]1CCOC1
CC(C)C(=O)N(C)Cc1ccc(C(=O)O[C@H](C)[C@@H]2CCOC2)cc1 CC(C)C(=O)N(C)[*:1] C[C@@H](OC(=O)c1ccc(cc1)C[*:1])[C@@H]1CCOC1
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nnc(s1)[*:1]
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nnc(C[*:1])s1
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nnc(Cc2ccccc2)s1 Clc1ccc(cc1)C[*:1] O=C(CS(=O)(=O)[*:1])Nc1nnc(Cc2ccccc2)s1
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nnc(Cc2ccccc2)s1 Clc1ccc(cc1)[*:1] O=C(CS(=O)(=O)C[*:1])Nc1nnc(Cc2ccccc2)s1
Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)CCl)[nH]c(=O)c1C c1csc(c1)[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)CCl)[*:1]
Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)CCl)[nH]c(=O)c1C O=C(CCl)N[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1[*:1])-c1cccs1
C[C@H](CC(=O)c1cccs1)NC(=O)Cc1c[nH]c2ccccc12 O=C(c1cccs1)[*:1] C[C@H](C[*:1])NC(=O)Cc1c[nH]c2ccccc12
C[C@H](CC(=O)c1cccs1)NC(=O)Cc1c[nH]c2ccccc12 c1csc(c1)[*:1] C[C@H](CC(=O)[*:1])NC(=O)Cc1c[nH]c2ccccc12
O=C([O-])CCC(=O)c1ccc(Br)s1 O=C([O-])[*:1] O=C(CC[*:1])c1ccc(Br)s1
O=C([O-])CCC(=O)c1ccc(Br)s1 O=C([O-])C[*:1] O=C(C[*:1])c1ccc(Br)s1
CCOC(=O)[C@@H](F)[C@H](O)c1cccnc1 CCOC(=O)[*:1] O[C@H](c1cccnc1)[C@H](F)[*:1]
O=C(NCc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1nc(cs1)-c1ccc(Cl)cc1Cl)[*:1]
CC(C)Cn1c(CN2CCC[C@H]2c2ccccn2)cnc1S(C)(=O)=O c1ccc(nc1)[*:1] CC(C)Cn1c(cnc1S(C)(=O)=O)CN1CCC[C@@H]1[*:1]
CC(C)Cn1c(CN2CCC[C@H]2c2ccccn2)cnc1S(C)(=O)=O CC(C)[*:1] CS(=O)(=O)c1ncc(CN2CCC[C@H]2c2ccccn2)n1C[*:1]
CC(C)Cn1c(CN2CCC[C@H]2c2ccccn2)cnc1S(C)(=O)=O CC(C)C[*:1] CS(=O)(=O)c1ncc(CN2CCC[C@H]2c2ccccn2)n1[*:1]
CC(C)Cn1c(CN2CCC[C@H]2c2ccccn2)cnc1S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)Cn1c(cnc1[*:1])CN1CCC[C@H]1c1ccccn1
Cc1c(NCc2nncn2-c2ccccc2)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])NCc1nncn1-c1ccccc1
Cc1c(NCc2nncn2-c2ccccc2)cc(C#N)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])NCc1nncn1[*:1]
FC(F)(F)[C@H](Cc1ccccc1)NCC1CCN(c2cc[nH+]cc2)CC1 FC(F)(F)[*:1] c1ccc(cc1)C[C@H](NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
FC(F)(F)[C@H](Cc1ccccc1)NCC1CCN(c2cc[nH+]cc2)CC1 c1ccc(cc1)[*:1] FC(F)(F)[C@H](C[*:1])NCC1CCN(CC1)c1cc[nH+]cc1
FC(F)(F)[C@H](Cc1ccccc1)NCC1CCN(c2cc[nH+]cc2)CC1 c1ccc(cc1)C[*:1] FC(F)(F)[C@H](NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
C/[NH+]=C(/NCC(C)(C)N1C[C@H](C)O[C@H](C)C1)N[C@H]1C[C@@H]1C C[C@H]1C[C@@H]1[*:1] C/[NH+]=C(/NCC(C)(C)N1C[C@H](C)O[C@H](C)C1)N[*:1]
[NH3+][C@@H]1C=C[C@@H](C(=O)Nc2nc(C3CC3)cs2)C1 C1CC1[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)Nc1nc(cs1)[*:1]
Cc1ccc(CC(=O)N2CCN(CC(=O)N(C)CCC#N)CC2)cc1 CN(CCC#N)C(=O)[*:1] Cc1ccc(cc1)CC(=O)N1CCN(CC1)C[*:1]
Cc1ccc(CC(=O)N2CCN(CC(=O)N(C)CCC#N)CC2)cc1 Cc1ccc(cc1)[*:1] CN(CCC#N)C(=O)CN1CCN(CC1)C(=O)C[*:1]
Cc1ccc(CC(=O)N2CCN(CC(=O)N(C)CCC#N)CC2)cc1 N#CC[*:1] Cc1ccc(cc1)CC(=O)N1CCN(CC1)CC(=O)N(C)C[*:1]
Cc1ccc(CC(=O)N2CCN(CC(=O)N(C)CCC#N)CC2)cc1 Cc1ccc(cc1)C[*:1] CN(CCC#N)C(=O)CN1CCN(CC1)C(=O)[*:1]
Cc1ccc(CC(=O)N2CCN(CC(=O)N(C)CCC#N)CC2)cc1 N#CCC[*:1] Cc1ccc(cc1)CC(=O)N1CCN(CC1)CC(=O)N(C)[*:1]
N#CCN(C(=O)c1ccncc1Cl)c1ccccc1 N#CC[*:1] O=C(c1ccncc1Cl)N(c1ccccc1)[*:1]
N#CCN(C(=O)c1ccncc1Cl)c1ccccc1 c1ccc(cc1)[*:1] N#CCN(C(=O)c1ccncc1Cl)[*:1]
C/C=C\c1ccc(OCc2nc3ccc(F)cc3[nH]2)c(OC)c1 CC=C[*:1] COc1cc(ccc1OCc1nc2ccc(F)cc2[nH]1)[*:1]
Cc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCOCC3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1N1CCOCC1)c1csc(n1)[*:1]
Cc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCOCC3)cs2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccccc1[*:1]
CC(C)c1ocnc1C[S@](=O)Cc1cc(=O)n2cc(Cl)ccc2n1 CC(C)[*:1] O=c1cc(C[S@@](=O)Cc2ncoc2[*:1])nc2ccc(Cl)cn12
CC(C)c1ocnc1C[S@](=O)Cc1cc(=O)n2cc(Cl)ccc2n1 CC(C)c1ocnc1[*:1] O=c1cc(C[S@@](=O)C[*:1])nc2ccc(Cl)cn12
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccccc1F Fc1ccccc1[*:1] CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\N[*:1]
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccccc1F C1CN(CCO1)[*:1] CC1=C(C#N)C(=O)N(CC[*:1])C(=O)/C1=C\Nc1ccccc1F
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccccc1F C1CN(CCO1)CC[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\Nc1ccccc1F)[*:1]
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccccc1F C1CN(CCO1)C[*:1] CC1=C(C#N)C(=O)N(C[*:1])C(=O)/C1=C\Nc1ccccc1F
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccccc1F Fc1ccccc1N[*:1] CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)C1=C[*:1]
C=CCNC(=O)c1ccc(COc2ccc(F)cc2)o1 C=CC[*:1] O=C(N[*:1])c1ccc(COc2ccc(F)cc2)o1
C=CCNC(=O)c1ccc(COc2ccc(F)cc2)o1 C=CCNC(=O)[*:1] Fc1ccc(cc1)OCc1ccc(o1)[*:1]
CCC[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(N2CCCCC2)c1 CCC[*:1] O=C(Nc1cccc(c1)N1CCCCC1)C(=O)N[C@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(N2CCCCC2)c1 C1CCN(CC1)[*:1] CCC[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
O=C(NCc1nc2ccccc2s1)NC[C@H](CCO)c1ccccc1 OCC[*:1] O=C(NCc1nc2ccccc2s1)NC[C@H](c1ccccc1)[*:1]
O=C(NCc1nc2ccccc2s1)NC[C@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1nc2ccccc2s1)NC[C@H](CCO)[*:1]
Cc1cccc(CN(C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(C(=O)[C@@H](C)Cc1c(C)n[nH]c1C)[*:1]
Cc1cccc(CN(C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C2CC2)c1 Cc1n[nH]c(C)c1[*:1] Cc1cccc(c1)CN(C(=O)[C@@H](C)C[*:1])C1CC1
Cc1cccc(CN(C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C2CC2)c1 Cc1cccc(c1)C[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)N(C1CC1)[*:1]
Cc1cccc(CN(C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C2CC2)c1 Cc1cccc(c1)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)N(C[*:1])C1CC1
Cc1cccc(CN(C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C2CC2)c1 Cc1n[nH]c(C)c1C[*:1] Cc1cccc(c1)CN(C(=O)[C@@H](C)[*:1])C1CC1
CCCCN1C(=O)c2ccccc2[C@@H]1NC(C)=O CCCC[*:1] CC(=O)N[C@H]1c2ccccc2C(=O)N1[*:1]
CCCCN1C(=O)c2ccccc2[C@@H]1NC(C)=O CC(=O)N[*:1] CCCCN1C(=O)c2ccccc2[C@H]1[*:1]
CCCCN1C(=O)c2ccccc2[C@@H]1NC(C)=O CCC[*:1] CC(=O)N[C@H]1c2ccccc2C(=O)N1C[*:1]
C[C@@H]1CN(C(=O)C(C)(C)/C(N)=N/O)C[C@@H]1C N/C(=N\O)[*:1] C[C@@H]1CN(C[C@@H]1C)C(=O)C(C)(C)[*:1]
CNC(=O)c1ccc(NC(=O)N(C)C(C)C)c(Cl)c1 CNC(=O)[*:1] CC(C)N(C)C(=O)Nc1ccc(cc1Cl)[*:1]
CNC(=O)c1ccc(NC(=O)N(C)C(C)C)c(Cl)c1 CC(C)[*:1] CNC(=O)c1ccc(NC(=O)N(C)[*:1])c(Cl)c1
CC[C@H](C)n1c([O-])c(C(=O)COc2ccc(Cl)c(C)c2)c(C)c(C#N)c1=O Cc1cc(ccc1Cl)[*:1] CC[C@H](C)n1c([O-])c(C(=O)CO[*:1])c(C)c(C#N)c1=O
CC[C@H](C)n1c([O-])c(C(=O)COc2ccc(Cl)c(C)c2)c(C)c(C#N)c1=O Cc1cc(ccc1Cl)O[*:1] CC[C@H](C)n1c([O-])c(C(=O)C[*:1])c(C)c(C#N)c1=O
CCn1c(SC[C@H](O)CO)nc2ccccc21 OC[C@@H](O)C[*:1] CCn1c(nc2ccccc21)S[*:1]
CCn1c(SC[C@H](O)CO)nc2ccccc21 OC[C@@H](O)[*:1] CCn1c(nc2ccccc21)SC[*:1]
Cc1c(NC(=O)C2(C#N)CCCC2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)C2(C#N)CCCC2)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)C2(C#N)CCCC2)c(=O)n(-c2ccccc2)n1C N#CC1(CCCC1)[*:1] Cc1c(NC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cc1 C#CCNS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)-n1nccc1C(F)(F)F)c1ccc(cc1)[*:1]
C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cc1 FC(F)(F)c1ccnn1[*:1] C#CCNS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] C#CCNS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)-n1nccc1[*:1]
C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)cc1 C#CC[*:1] O=C(Nc1ccc(cc1)-n1nccc1C(F)(F)F)c1ccc(cc1)S(=O)(=O)N[*:1]
C[C@H](c1ccccc1)n1cc2c(c1-c1ccc(Br)cc1)c(=O)n(C)c(=O)n2C C[C@H](c1ccccc1)[*:1] Cn1c(=O)c2c(-c3ccc(Br)cc3)n(cc2n(C)c1=O)[*:1]
C[C@H](c1ccccc1)n1cc2c(c1-c1ccc(Br)cc1)c(=O)n(C)c(=O)n2C Brc1ccc(cc1)[*:1] C[C@H](c1ccccc1)n1cc2c(c1[*:1])c(=O)n(C)c(=O)n2C
C[C@H](c1ccccc1)n1cc2c(c1-c1ccc(Br)cc1)c(=O)n(C)c(=O)n2C c1ccc(cc1)[*:1] C[C@H](n1cc2c(c1-c1ccc(Br)cc1)c(=O)n(C)c(=O)n2C)[*:1]
Cc1cc(F)ccc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O Cc1cc(F)ccc1[*:1] C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[*:1])C2=O
COc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])C[NH+]1CCC(CC1)c1ccnn1C
COc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1OC(F)F Cn1nccc1[*:1] COc1ccc(cc1OC(F)F)C[NH+]1CCC(CC1)[*:1]
COc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])C[NH+]1CCC(CC1)c1ccnn1C
Cc1c(NCC(C)(C)C)cccc1C(=O)NCCc1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] Cc1c(cccc1C(=O)NCC[*:1])NCC(C)(C)C
Cc1c(NCC(C)(C)C)cccc1C(=O)NCCc1nnc2ccccn12 CC(C)(C)CN[*:1] Cc1c(cccc1[*:1])C(=O)NCCc1nnc2ccccn12
Cc1c(NCC(C)(C)C)cccc1C(=O)NCCc1nnc2ccccn12 CC(C)(C)C[*:1] Cc1c(cccc1C(=O)NCCc1nnc2ccccn12)N[*:1]
Cc1c(NCC(C)(C)C)cccc1C(=O)NCCc1nnc2ccccn12 CC(C)(C)[*:1] Cc1c(cccc1C(=O)NCCc1nnc2ccccn12)NC[*:1]
COC(=O)c1cc2n(n1)CCN(C(=O)c1cc(-c3ccccc3O)n[nH]1)C2 COC(=O)[*:1] O=C(c1cc(n[nH]1)-c1ccccc1O)N1CCn2nc(cc2C1)[*:1]
COC(=O)c1cc2n(n1)CCN(C(=O)c1cc(-c3ccccc3O)n[nH]1)C2 Oc1ccccc1[*:1] COC(=O)c1cc2CN(CCn2n1)C(=O)c1cc(n[nH]1)[*:1]
Cc1ccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)S(=O)(=O)N=CN3)cc1C Cc1ccc(cc1C)[*:1] O=C(CS(=O)(=O)c1ccc2NC=NS(=O)(=O)c2c1)N[*:1]
O=C(N/N=C/C1=Cc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(N/N=C/C1=Cc2ccccc2OC1)c1cccc(c1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
COCCOc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1 COCCO[*:1] C[C@@H](Nc1cccc(c1)[*:1])c1ccc(C#N)cc1
COCCOc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1 COCC[*:1] C[C@@H](Nc1cccc(c1)O[*:1])c1ccc(C#N)cc1
COCCOc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1 COC[*:1] C[C@@H](Nc1cccc(c1)OC[*:1])c1ccc(C#N)cc1
CCn1nnnc1-c1cccc(NCc2cn(C)nc2C(C)(C)C)c1 CCn1nnnc1[*:1] Cn1cc(CNc2cccc(c2)[*:1])c(n1)C(C)(C)C
CCn1nnnc1-c1cccc(NCc2cn(C)nc2C(C)(C)C)c1 CC(C)(C)[*:1] CCn1nnnc1-c1cccc(c1)NCc1cn(C)nc1[*:1]
O=c1c2ccccc2nnn1C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=c1c2ccccc2nnn1C[C@H](O)COC(c1ccc(F)cc1)[*:1]
CC(C)CN(C(=O)c1n[nH]c(C(C)C)c1N)C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(C(=O)c1n[nH]c(c1N)C(C)C)[*:1]
CC(C)CN(C(=O)c1n[nH]c(C(C)C)c1N)C1CCCC1 CC(C)[*:1] CC(C)CN(C(=O)c1n[nH]c(c1N)[*:1])C1CCCC1
CC(C)CN(C(=O)c1n[nH]c(C(C)C)c1N)C1CCCC1 CC(C)C[*:1] CC(C)c1[nH]nc(C(=O)N(C2CCCC2)[*:1])c1N
CC(C)CN(C(=O)c1n[nH]c(C(C)C)c1N)C1CCCC1 CC(C)[*:1] CC(C)c1[nH]nc(C(=O)N(C[*:1])C2CCCC2)c1N
COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N[C@@H]4CCCC[C@H]4C)c(=O)c3c2)c1 COc1cccc(c1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N[*:1]
Cc1ccc(C)c(N(C)CC(=O)N2CC(=O)Nc3ccccc32)c1 Cc1ccc(C)c(c1)[*:1] CN(CC(=O)N1CC(=O)Nc2ccccc21)[*:1]
CC(C)[C@H]1CN(C(=O)CN2CCOC2=O)CCC(=O)N1CC1CC1 C1CC1C[*:1] CC(C)[C@H]1CN(CCC(=O)N1[*:1])C(=O)CN1CCOC1=O
CC(C)[C@H]1CN(C(=O)CN2CCOC2=O)CCC(=O)N1CC1CC1 O=C1OCCN1[*:1] CC(C)[C@H]1CN(CCC(=O)N1CC1CC1)C(=O)C[*:1]
CC(C)[C@H]1CN(C(=O)CN2CCOC2=O)CCC(=O)N1CC1CC1 C1CC1[*:1] CC(C)[C@H]1CN(CCC(=O)N1C[*:1])C(=O)CN1CCOC1=O
CC(C)[C@H]1CN(C(=O)CN2CCOC2=O)CCC(=O)N1CC1CC1 O=C1OCCN1C[*:1] CC(C)[C@H]1CN(CCC(=O)N1CC1CC1)C(=O)[*:1]
CC(C)[C@H]1CN(C(=O)CN2CCOC2=O)CCC(=O)N1CC1CC1 CC(C)[*:1] O=C(CN1CCOC1=O)N1CCC(=O)N(CC2CC2)[C@H](C1)[*:1]
Cc1cc(S(=O)(=O)NCc2cccc(Cn3cncn3)c2)c(C)s1 c1ncn(n1)[*:1] Cc1cc(c(C)s1)S(=O)(=O)NCc1cccc(c1)C[*:1]
Cc1cc(S(=O)(=O)NCc2cccc(Cn3cncn3)c2)c(C)s1 c1ncn(C[*:1])n1 Cc1cc(c(C)s1)S(=O)(=O)NCc1cccc(c1)[*:1]
Cc1cc(S(=O)(=O)NCc2cccc(Cn3cncn3)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=S(=O)(NCc1cccc(c1)Cn1cncn1)[*:1]
O=C([O-])[C@H](c1ccc(O)cc1)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C([O-])[C@H](c1ccc(O)cc1)[NH+]1CCN(CC1)C[*:1]
O=C([O-])[C@H](c1ccc(O)cc1)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 Oc1ccc(cc1)[*:1] O=C([O-])[C@H]([NH+]1CCN(CC1)Cc1cccc(Cl)c1)[*:1]
O=C([O-])[C@H](c1ccc(O)cc1)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] O=C([O-])[C@H](c1ccc(O)cc1)[NH+]1CCN(CC1)[*:1]
CCS[C@H]1CC[C@H](NC(=O)NCCc2ccn(C(C)C)n2)C1 CC(C)[*:1] CCS[C@H]1CC[C@@H](C1)NC(=O)NCCc1ccn(n1)[*:1]
CCS[C@H]1CC[C@H](NC(=O)NCCc2ccn(C(C)C)n2)C1 CCS[*:1] CC(C)n1ccc(CCNC(=O)N[C@H]2CC[C@@H](C2)[*:1])n1
CN([C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CN([C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@H]1COCCN1C(=O)CCNC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1COCCN1C(=O)CCNC(=O)[*:1]
O=C(NCc1csc(=O)[nH]1)c1ccc(F)c(COCC2CC2)c1 C1CC1[*:1] O=C(NCc1csc(=O)[nH]1)c1ccc(F)c(c1)COC[*:1]
O=C(NCc1csc(=O)[nH]1)c1ccc(F)c(COCC2CC2)c1 C1CC1CO[*:1] O=C(NCc1csc(=O)[nH]1)c1ccc(F)c(c1)C[*:1]
O=C(NCc1csc(=O)[nH]1)c1ccc(F)c(COCC2CC2)c1 C1CC1C[*:1] O=C(NCc1csc(=O)[nH]1)c1ccc(F)c(c1)CO[*:1]
O=C(NCc1csc(=O)[nH]1)c1ccc(F)c(COCC2CC2)c1 C1CC1COC[*:1] O=C(NCc1csc(=O)[nH]1)c1ccc(F)c(c1)[*:1]
O=C(NCc1csc(=O)[nH]1)c1ccc(F)c(COCC2CC2)c1 O=c1[nH]c(cs1)C[*:1] O=C(N[*:1])c1ccc(F)c(c1)COCC1CC1
O=C(NCc1csc(=O)[nH]1)c1ccc(F)c(COCC2CC2)c1 O=c1[nH]c(cs1)[*:1] O=C(NC[*:1])c1ccc(F)c(c1)COCC1CC1
COCCCn1ccc(NC(=O)N[C@@H]2CCCOc3ccccc32)n1 COCCC[*:1] O=C(Nc1ccn(n1)[*:1])N[C@@H]1CCCOc2ccccc21
COCCCn1ccc(NC(=O)N[C@@H]2CCCOc3ccccc32)n1 COCC[*:1] O=C(Nc1ccn(C[*:1])n1)N[C@@H]1CCCOc2ccccc21
COCCCn1ccc(NC(=O)N[C@@H]2CCCOc3ccccc32)n1 COC[*:1] O=C(Nc1ccn(CC[*:1])n1)N[C@@H]1CCCOc2ccccc21
CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)c2cn(C[*:1])nn2)[C@H](C1)c1ccccc1
CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)[C@@H](C1)[*:1]
CN1CCN(C(=O)c2cn(Cc3ccccc3)nn2)[C@@H](c2ccccc2)C1 c1ccc(cc1)C[*:1] CN1CCN(C(=O)c2cn(nn2)[*:1])[C@H](C1)c1ccccc1
COC(=O)c1ccccc1NC(=O)c1ccc2nnsc2c1 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc2nnsc2c1
COCc1nc2ccccc2n1CC(=O)[O-] COC[*:1] O=C([O-])Cn1c(nc2ccccc21)[*:1]
COCc1nc2ccccc2n1CC(=O)[O-] O=C([O-])C[*:1] COCc1nc2ccccc2n1[*:1]
COCc1nc2ccccc2n1CC(=O)[O-] O=C([O-])[*:1] COCc1nc2ccccc2n1C[*:1]
Cc1ccc(NC(=O)[C@H](C)Sc2ccc3c(c2)OCCCO3)c(F)c1 Cc1ccc(c(F)c1)[*:1] C[C@H](Sc1ccc2OCCCOc2c1)C(=O)N[*:1]
CNC(=O)c1c(C)cccc1NC(=O)CCc1ccc(C)o1 Cc1ccc(o1)[*:1] CNC(=O)c1c(C)cccc1NC(=O)CC[*:1]
CNC(=O)c1c(C)cccc1NC(=O)CCc1ccc(C)o1 Cc1ccc(C[*:1])o1 CNC(=O)c1c(C)cccc1NC(=O)C[*:1]
CNC(=O)c1c(C)cccc1NC(=O)CCc1ccc(C)o1 CNC(=O)[*:1] Cc1ccc(CCC(=O)Nc2cccc(C)c2[*:1])o1
Cn1cc(C#N)cc1C(=O)NNC(=O)CCc1ccccc1 c1ccc(cc1)C[*:1] Cn1cc(C#N)cc1C(=O)NNC(=O)C[*:1]
Cn1cc(C#N)cc1C(=O)NNC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] Cn1cc(C#N)cc1C(=O)NNC(=O)CC[*:1]
Cc1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)o1 Cc1ccc(o1)[*:1] O=S(=O)(NC[*:1])c1ccc(cc1)C1CCCCC1
Cc1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)o1 Cc1ccc(C[*:1])o1 O=S(=O)(N[*:1])c1ccc(cc1)C1CCCCC1
Cc1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)o1 C1CCC(CC1)[*:1] Cc1ccc(CNS(=O)(=O)c2ccc(cc2)[*:1])o1
Cc1cccn2cc(C[NH2+][C@H](C)c3ccsc3)[nH+]c12 c1cc(cs1)[*:1] Cc1cccn2cc(C[NH2+][C@H](C)[*:1])[nH+]c12
O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)[O-])c1 Clc1ccc(c(Cl)c1)[*:1] O=C(CCCO[*:1])Nc1cccc(c1)C(=O)[O-]
O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(c1)[*:1]
Cc1cccn2c(=O)cc(CSc3nc(-c4ccccc4)cs3)nc12 c1ccc(cc1)[*:1] Cc1cccn2c(=O)cc(CSc3nc(cs3)[*:1])nc12
C[C@H]1CC(C(=O)OCCOc2cncc(Cl)n2)C[C@H](C)O1 Clc1cncc(n1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)OCCO[*:1]
CC[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1CC)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1CC)[*:1]
CCOc1cccc(-c2ccc(Cn3cc[nH+]c3)cn2)c1 CCO[*:1] c1cc(cc(c1)[*:1])-c1ccc(cn1)Cn1cc[nH+]c1
Cc1nn(C[C@H](O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(C)c1Br Cc1nn(c(C)c1Br)[*:1] O=C(c1ccc(Cl)cc1)c1ccc(cc1)OC[C@@H](O)C[*:1]
Cc1nn(C[C@H](O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(C)c1Br Cc1nn(C[*:1])c(C)c1Br O=C(c1ccc(Cl)cc1)c1ccc(cc1)OC[C@@H](O)[*:1]
Cc1nn(C[C@H](O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(C)c1Br O=C(c1ccc(Cl)cc1)[*:1] Cc1nn(C[C@H](O)COc2ccc(cc2)[*:1])c(C)c1Br
Cc1nn(C[C@H](O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(C)c1Br Clc1ccc(cc1)[*:1] Cc1nn(C[C@H](O)COc2ccc(cc2)C(=O)[*:1])c(C)c1Br
COc1ccccc1O[C@@H](C)CNc1ncccc1C(=O)N1CCCCC1 COc1ccccc1[*:1] C[C@@H](CNc1ncccc1C(=O)N1CCCCC1)O[*:1]
COc1ccccc1O[C@@H](C)CNc1ncccc1C(=O)N1CCCCC1 COc1ccccc1O[*:1] C[C@@H](CNc1ncccc1C(=O)N1CCCCC1)[*:1]
COc1ccccc1O[C@@H](C)CNc1ncccc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] COc1ccccc1O[C@@H](C)CNc1ncccc1[*:1]
Cc1csc(NC(=O)Cn2c(C)nc3ccc(O)cc3c2=O)n1 Cc1csc(n1)[*:1] Cc1nc2ccc(O)cc2c(=O)n1CC(=O)N[*:1]
COC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C1 COC(=O)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N1CCC[C@@H](C1)[*:1]
COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC(=O)N(C3CC3)C1)CC2 C1CC1[*:1] COc1ccc2CC[C@H](Cc2c1)[NH2+][C@H]1CC(=O)N(C1)[*:1]
C[C@@H](Sc1cccc(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] C[C@@H](Sc1cccc(F)c1)c1nnc(o1)-c1ccc(cc1)[*:1]
C[C@@H](Sc1cccc(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 Fc1cccc(c1)[*:1] C[C@@H](S[*:1])c1nnc(o1)-c1ccc(cc1)[N+](=O)[O-]
C[C@@H](Sc1cccc(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 Fc1cccc(c1)S[*:1] C[C@@H](c1nnc(o1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@H](OCc1ccccc1)C(=O)O[C@H](C#N)C1CC1 C1CC1[*:1] C[C@H](OCc1ccccc1)C(=O)O[C@H](C#N)[*:1]
C[C@H](OCc1ccccc1)C(=O)O[C@H](C#N)C1CC1 c1ccc(cc1)[*:1] C[C@H](OC[*:1])C(=O)O[C@H](C#N)C1CC1
Cn1cc(/C([O-])=N/S(=O)(=O)c2ccc3c(c2)CCC3)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(/C([O-])=N/S(=O)(=O)c2ccc3CCCc3c2)c(n1)[*:1]
Cc1ncccc1NC(=O)C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 Cc1ncccc1[*:1] C[C@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)C(=O)N[*:1]
Cc1ncccc1NC(=O)C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] Cc1ncccc1NC(=O)C(=O)N1C[C@H](C)O[C@@H](C1)[*:1]
C[C@H](S[C@@H]1CCN(c2sccc2C#N)C1=O)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](S[C@@H]1CCN(C1=O)c1sccc1C#N)[*:1]
NC(=O)c1c(F)cc(Br)cc1N[C@H]1CCc2cc(F)ccc21 NC(=O)[*:1] Fc1ccc2c(c1)CC[C@@H]2Nc1cc(Br)cc(F)c1[*:1]
Cc1cc(CNC(=O)C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NC[*:1])C(=O)Nc1cc2CCC(=O)N3CCc(c1)c23
Cc1cc(CNC(=O)C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)c(C)o1 Cc1cc(C[*:1])c(C)o1 O=C(Nc1cc2CCC(=O)N3CCc(c1)c23)C(=O)N[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)NCCc1ccc2c(c1)OCCO2 Cc1noc(C)c1[*:1] O=C(NCCc1ccc2OCCOc2c1)c1cccnc1SC[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)NCCc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] Cc1noc(C)c1CSc1ncccc1C(=O)NCC[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)NCCc1ccc2c(c1)OCCO2 Cc1noc(C)c1C[*:1] O=C(NCCc1ccc2OCCOc2c1)c1cccnc1S[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)NCCc1ccc2c(c1)OCCO2 Cc1noc(C)c1CS[*:1] O=C(NCCc1ccc2OCCOc2c1)c1cccnc1[*:1]
NC(=O)c1cc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)ccn1 NC(=O)[*:1] O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC(CC1)Oc1ccnc(c1)[*:1]
NC(=O)c1cc(OC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)ccn1 c1coc(c1)[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
COC(=O)c1ccc([C@H](C)n2cc([N+](=O)[O-])cn2)o1 COC(=O)[*:1] C[C@@H](c1ccc(o1)[*:1])n1cc(cn1)[N+](=O)[O-]
COC(=O)c1ccc([C@H](C)n2cc([N+](=O)[O-])cn2)o1 O=[N+]([O-])[*:1] COC(=O)c1ccc(o1)[C@H](C)n1cc(cn1)[*:1]
Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 N#Cc1cccc(c1)[*:1] Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@H](C1)[NH2+]C[*:1]
Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 Brc1cccc(c1)[*:1] Cc1nn(c(C)c1[C@@H]1C=C[C@H](C1)[NH2+]Cc1cccc(C#N)c1)[*:1]
Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 N#Cc1cccc(c1)C[*:1] Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@H](C1)[NH2+][*:1]
O=C(CBr)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 O=C(CBr)[*:1] O=[N+]([O-])c1ccc(-c2ccc(o2)[*:1])c(Cl)c1
O=C(CBr)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 O=[N+]([O-])[*:1] O=C(CBr)c1ccc(o1)-c1ccc(cc1Cl)[*:1]
COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCc2ccccc21 COC[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1C[*:1])N1CCc2ccccc21
COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCc2ccccc21 COCC[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1[*:1])N1CCc2ccccc21
COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCc2ccccc21 COCCn1nnnc1[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)[C@@H](N1CCc2ccccc21)[*:1]
COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[*:1]
O=C(NC(=S)Nc1ccc(I)cn1)c1cccc2ccccc12 Ic1ccc(nc1)[*:1] O=C(NC(=S)N[*:1])c1cccc2ccccc12
COc1ccccc1/N=C/c1nc(-c2ccccc2)n2ccccc12 COc1ccccc1[*:1] C(=N[*:1])c1nc(-c2ccccc2)n2ccccc12
COc1ccccc1/N=C/c1nc(-c2ccccc2)n2ccccc12 c1ccc(cc1)[*:1] COc1ccccc1/N=C/c1nc(n2ccccc12)[*:1]
Cc1nc(C)c(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)s1 Cc1nc(C)c(s1)[*:1] Clc1ccccc1[C@H](CNC[*:1])N1CCOCC1
Cc1nc(C)c(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)s1 Clc1ccccc1[*:1] Cc1nc(C)c(CNC[C@@H](N2CCOCC2)[*:1])s1
Cc1nc(C)c(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)s1 Cc1nc(C)c(C[*:1])s1 Clc1ccccc1[C@H](CN[*:1])N1CCOCC1
Cc1nc(C)c(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)s1 C1CN(CCO1)[*:1] Cc1nc(C)c(CNC[C@@H](c2ccccc2Cl)[*:1])s1
Cc1noc2nc3c(c(C(=O)N[C@H]4CC[C@H]4[NH2+]C4CCCC4)c12)CCC3 C1CCC(C1)[*:1] Cc1noc2nc3CCCc3c(C(=O)N[C@H]3CC[C@H]3[NH2+][*:1])c12
O=C(c1ccc(-n2cccc2)nc1)N1CCCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1ccc(nc1)-n1cccc1)N1CCCN(CC1)[*:1]
O=C(c1ccc(-n2cccc2)nc1)N1CCCN(c2ncccn2)CC1 c1ccn(c1)[*:1] O=C(c1ccc(nc1)[*:1])N1CCCN(CC1)c1ncccn1
CCN(CC)C(=O)c1ccc(Oc2snc(Cl)c2C#N)cc1 CCN(CC)C(=O)[*:1] N#Cc1c(Cl)nsc1Oc1ccc(cc1)[*:1]
CC(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)nc2C1 Fc1ccc(cc1)C[*:1] CC(=O)N1CCc2c(O)nc(nc2C1)[C@@H]1CCCCN1C(=O)[*:1]
CC(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)nc2C1 Fc1ccc(cc1)[*:1] CC(=O)N1CCc2c(O)nc(nc2C1)[C@@H]1CCCCN1C(=O)C[*:1]
O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(OCC2CC2)cc1 C1CC1CO[*:1] O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(cc1)[*:1]
O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(OCC2CC2)cc1 c1cc(ccn1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1ccc(cc1)OCC1CC1
O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(OCC2CC2)cc1 C1CC1[*:1] O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(cc1)OC[*:1]
O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(OCC2CC2)cc1 c1ccc(cc1)[*:1] O=C(N[C@H](c1ccncc1)[*:1])c1ccc(cc1)OCC1CC1
O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(OCC2CC2)cc1 C1CC1C[*:1] O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(cc1)O[*:1]
CCCNC(=O)CNC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 CCCNC(=O)C[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCCCCC1)N[*:1]
CCCNC(=O)CNC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 CCC[*:1] O=C(CNC(=O)Nc1ccc(cc1)C(=O)N1CCCCCC1)N[*:1]
CCCNC(=O)CNC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 CCCNC(=O)[*:1] O=C(NC[*:1])Nc1ccc(cc1)C(=O)N1CCCCCC1
CNC(=O)[C@@H]1CCCN(C(=O)CN[C@@H](c2ccccc2)C(F)(F)F)C1 FC(F)(F)[*:1] CNC(=O)[C@@H]1CCCN(C1)C(=O)CN[C@@H](c1ccccc1)[*:1]
CNC(=O)[C@@H]1CCCN(C(=O)CN[C@@H](c2ccccc2)C(F)(F)F)C1 c1ccc(cc1)[*:1] CNC(=O)[C@@H]1CCCN(C1)C(=O)CN[C@@H](C(F)(F)F)[*:1]
CNC(=O)[C@@H]1CCCN(C(=O)CN[C@@H](c2ccccc2)C(F)(F)F)C1 CNC(=O)[*:1] O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@H](C1)[*:1]
C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCc1ccc(C(F)(F)F)cc1)CS2 FC(F)(F)[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)NCCc1ccc(cc1)[*:1]
O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N1c1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N1[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
Cc1cccc([C@H](O)C[NH2+][C@H](C)C2(C)CC2)c1 CC1(CC1)[*:1] Cc1cccc(c1)[C@H](O)C[NH2+][C@H](C)[*:1]
O=C(OCc1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] O=C(OC[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1
O=C(OCc1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 c1ccc(cc1)C[*:1] O=C(O[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1
O=C(OCc1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(OCc1ccccc1)C1CCN(CC1)C(=O)[*:1]
C[C@@H](O)c1cccc(-c2ccnc3c2ccn3C)n1 C[C@@H](O)[*:1] Cn1ccc2c(ccnc21)-c1cccc(n1)[*:1]
COC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@H]1CC=CC[C@@H]1[*:1]
COC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCCCC2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC=CC[C@H]1C(=O)N1CCCCC1
CCC[C@H](O)[C@@](C)(CC)C[NH3+] CCC[*:1] CC[C@@](C)(C[NH3+])[C@@H](O)[*:1]
CCCn1ncnc1C[C@]1(C#N)CCCC(C)(C)C1=O CCC[*:1] CC1(C)CCC[C@@](C#N)(Cc2ncnn2[*:1])C1=O
O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1c(F)cc(F)cc1Br c1ccc(cc1)[*:1] O=C(CSc1ncnc2c1cnn2C[*:1])Nc1c(F)cc(F)cc1Br
O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1c(F)cc(F)cc1Br Fc1cc(F)c(c(Br)c1)[*:1] O=C(CSc1ncnc2c1cnn2Cc1ccccc1)N[*:1]
O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1c(F)cc(F)cc1Br c1ccc(cc1)C[*:1] O=C(CSc1ncnc2c1cnn2[*:1])Nc1c(F)cc(F)cc1Br
CCC/C(C#N)=C(\Cl)c1ccc(C)c(F)c1 CCC[*:1] Cc1ccc(cc1F)/C(Cl)=C(\C#N)[*:1]
CC(=O)N1CCC(CCC(=O)N2CCN(c3nc(C)ns3)CC2)CC1 Cc1nsc(n1)[*:1] CC(=O)N1CCC(CCC(=O)N2CCN(CC2)[*:1])CC1
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c12 CS(=O)(=O)[*:1] Cc1nn(C)c2nc(cc(C(=O)NCc3ccc(cc3)[*:1])c12)-c1cccs1
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c12 c1csc(c1)[*:1] Cc1nn(C)c2nc(cc(C(=O)NCc3ccc(cc3)S(C)(=O)=O)c12)[*:1]
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c12 CS(=O)(=O)c1ccc(cc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)NC[*:1])c12)-c1cccs1
O=C(C[NH+](Cc1ccco1)C1CCCC1)NCc1cccnc1 c1cncc(c1)[*:1] O=C(C[NH+](Cc1ccco1)C1CCCC1)NC[*:1]
O=C(C[NH+](Cc1ccco1)C1CCCC1)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(C[NH+](Cc1ccco1)C1CCCC1)N[*:1]
O=C(C[NH+](Cc1ccco1)C1CCCC1)NCc1cccnc1 c1coc(c1)[*:1] O=C(C[NH+](C[*:1])C1CCCC1)NCc1cccnc1
O=C(C[NH+](Cc1ccco1)C1CCCC1)NCc1cccnc1 c1coc(c1)C[*:1] O=C(C[NH+](C1CCCC1)[*:1])NCc1cccnc1
O=C(C[NH+](Cc1ccco1)C1CCCC1)NCc1cccnc1 C1CCC(C1)[*:1] O=C(C[NH+](Cc1ccco1)[*:1])NCc1cccnc1
Cn1[nH]c(-c2ccc(Oc3ccccc3)cc2)cc1=O c1ccc(cc1)[*:1] Cn1[nH]c(cc1=O)-c1ccc(cc1)O[*:1]
Cc1cccc(CNC(=O)[C@@H]2CCCN2c2nn3c(=O)cc(C)nc3s2)c1 Cc1cccc(c1)C[*:1] Cc1cc(=O)n2nc(sc2n1)N1CCC[C@H]1C(=O)N[*:1]
Cc1cccc(CNC(=O)[C@@H]2CCCN2c2nn3c(=O)cc(C)nc3s2)c1 Cc1cccc(c1)[*:1] Cc1cc(=O)n2nc(sc2n1)N1CCC[C@H]1C(=O)NC[*:1]
CC(C)(C)CCCNC(=O)N[C@@H]1CCC[C@H]1C(N)=O NC(=O)[*:1] CC(C)(C)CCCNC(=O)N[C@@H]1CCC[C@@H]1[*:1]
CC(C)(C)CCCNC(=O)N[C@@H]1CCC[C@H]1C(N)=O CC(C)(C)CC[*:1] NC(=O)[C@@H]1CCC[C@H]1NC(=O)NC[*:1]
CC(C)(C)CCCNC(=O)N[C@@H]1CCC[C@H]1C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCC[*:1]
CC(C)(C)CCCNC(=O)N[C@@H]1CCC[C@H]1C(N)=O CC(C)(C)C[*:1] NC(=O)[C@@H]1CCC[C@H]1NC(=O)NCC[*:1]
O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)C1CCN(C(=O)C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)C1CCN(CC1)C(=O)[*:1]
COCCCCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 COCCCC[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C(=O)NC[*:1]
COCCCCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 COCC[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C(=O)NCCC[*:1]
COCCCCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 COCCCCC[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C(=O)N[*:1]
COCCCCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 COCCC[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C(=O)NCC[*:1]
COCCCCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 COC[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C(=O)NCCCC[*:1]
O=C(c1cccs1)N1CC[C@@H]2[C@@H](CCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)C1 c1csc(c1)[*:1] O=C(N1CCC[C@H]2CN(CC[C@H]21)C(=O)[*:1])C1(CCC1)c1ccc(Cl)cc1
O=C(c1cccs1)N1CC[C@@H]2[C@@H](CCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)C1 Clc1ccc(cc1)[*:1] O=C(c1cccs1)N1CC[C@@H]2[C@@H](CCCN2C(=O)C2(CCC2)[*:1])C1
Cc1ncn(C[C@@H](C)[NH2+]CC(C)(C)c2ccccc2Cl)c1C Cc1ncn(c1C)[*:1] C[C@H](C[*:1])[NH2+]CC(C)(C)c1ccccc1Cl
Cc1ncn(C[C@@H](C)[NH2+]CC(C)(C)c2ccccc2Cl)c1C Clc1ccccc1[*:1] Cc1ncn(C[C@@H](C)[NH2+]CC(C)(C)[*:1])c1C
O=C([O-])[C@@H]1CCC(=O)N1C(=O)/C=C/c1ccccc1 O=C([O-])[*:1] O=C(/C=C/c1ccccc1)N1C(=O)CC[C@H]1[*:1]
O=C([O-])[C@@H]1CCC(=O)N1C(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1CCC(=O)N1C(=O)C=C[*:1]
Cc1cc(CNC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)no1 Cc1cc(no1)[*:1] O=C(NC[*:1])C1(CCCCC1)Cc1nc2ccccc2s1
Cc1cc(CNC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)no1 Cc1cc(C[*:1])no1 O=C(N[*:1])C1(CCCCC1)Cc1nc2ccccc2s1
O=C(CN1CCCc2ccccc21)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CN1CCCc2ccccc21)NNS(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccc(F)cn1 FC(F)(F)[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)OC[*:1])c1ccc(F)cn1
C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccc(F)cn1 FC(F)(F)CO[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)[*:1])c1ccc(F)cn1
C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccc(F)cn1 FC(F)(F)C[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)O[*:1])c1ccc(F)cn1
C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)OCC(F)(F)F)[*:1]
C[C@H](Sc1nnnn1C)C(=O)Nc1ccc(F)cc1Cl Cn1nnnc1[*:1] C[C@H](S[*:1])C(=O)Nc1ccc(F)cc1Cl
Cc1nc(NC(=O)CCn2cncn2)sc1Cc1cccc(Cl)c1 c1ncn(n1)[*:1] Cc1nc(NC(=O)CC[*:1])sc1Cc1cccc(Cl)c1
Cc1nc(NC(=O)CCn2cncn2)sc1Cc1cccc(Cl)c1 c1ncn(CC[*:1])n1 Cc1nc(NC(=O)[*:1])sc1Cc1cccc(Cl)c1
Cc1nc(NC(=O)CCn2cncn2)sc1Cc1cccc(Cl)c1 c1ncn(C[*:1])n1 Cc1nc(NC(=O)C[*:1])sc1Cc1cccc(Cl)c1
Cc1nc(NC(=O)CCn2cncn2)sc1Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] Cc1nc(NC(=O)CCn2cncn2)sc1[*:1]
Cc1nc(NC(=O)CCn2cncn2)sc1Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nc(NC(=O)CCn2cncn2)sc1C[*:1]
Cc1ccc(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cn1 Cc1ccc(cn1)[*:1] O=C([C@@H]1CC=CCC1)N1CCC(CC1)O[*:1]
CCc1ccc([C@H](CO)NC(=O)CC(C)(C)C)cc1 CC(C)(C)C[*:1] CCc1ccc(cc1)[C@H](CO)NC(=O)[*:1]
CCc1ccc([C@H](CO)NC(=O)CC(C)(C)C)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)[C@H](CO)NC(=O)C[*:1]
CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)[C@](C)(N)[*:1]
CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)[C@](C)(N)C(F)(F)F CC(C)(C)[*:1] C[C@](N)(C(=O)N[C@H]1CCCC[C@@H]1[*:1])C(F)(F)F
Cc1nc(COc2ccc(CN3CCNC(=O)C[C@H]3c3ccccc3)cc2)no1 Cc1nc(no1)[*:1] O=C1C[C@@H](c2ccccc2)N(CCN1)Cc1ccc(cc1)OC[*:1]
Cc1nc(COc2ccc(CN3CCNC(=O)C[C@H]3c3ccccc3)cc2)no1 Cc1nc(CO[*:1])no1 O=C1C[C@@H](c2ccccc2)N(CCN1)Cc1ccc(cc1)[*:1]
Cc1nc(COc2ccc(CN3CCNC(=O)C[C@H]3c3ccccc3)cc2)no1 c1ccc(cc1)[*:1] Cc1nc(COc2ccc(cc2)CN2CCNC(=O)C[C@@H]2[*:1])no1
Cc1nc(COc2ccc(CN3CCNC(=O)C[C@H]3c3ccccc3)cc2)no1 Cc1nc(C[*:1])no1 O=C1C[C@@H](c2ccccc2)N(CCN1)Cc1ccc(cc1)O[*:1]
C[C@H]1SCCC[C@@H]1Nc1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] C[C@H]1SCCC[C@@H]1Nc1cc(ccc1Cl)[*:1]
C[C@@H](C(=O)NN)[C@@H](C)N(C)C1CC[NH2+]CC1 NNC(=O)[*:1] C[C@H]([C@H](C)[*:1])N(C)C1CC[NH2+]CC1
COc1ccc([C@@H](NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c2nccn2C)cc1 Cn1ccnc1[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[*:1]
COc1ccc([C@@H](NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c2nccn2C)cc1 COc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[*:1]
C=CCn1c([C@H](C)NC(=O)c2ccccc2)n[nH]c1=S c1ccc(cc1)[*:1] C=CCn1c(n[nH]c1=S)[C@H](C)NC(=O)[*:1]
C=CCn1c([C@H](C)NC(=O)c2ccccc2)n[nH]c1=S C=CC[*:1] C[C@H](NC(=O)c1ccccc1)c1n[nH]c(=S)n1[*:1]
Cc1cc(C)n([C@@H](C)C(=O)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)n1 C[C@@H]1CN(C[C@@H](C)O1)C[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)n([C@@H](C)C(=O)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)n1 Cc1cc(C)n(n1)[C@@H](C)[*:1] C[C@@H]1CN(Cc2cccc(c2)NC(=O)[*:1])C[C@@H](C)O1
Cc1cc(C)n([C@@H](C)C(=O)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C(=O)Nc1cccc(c1)CN1C[C@@H](C)O[C@H](C)C1)[*:1]
O=C(NCC1(c2ccncc2)CC1)c1cnn(C2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NCC1(CC1)c1ccncc1)c1cnn(c1)[*:1]
O=C(NCC1(c2ccncc2)CC1)c1cnn(C2CCCCC2)c1 c1cc(ccn1)[*:1] O=C(NCC1(CC1)[*:1])c1cnn(c1)C1CCCCC1
COc1ccc(Cn2cnc(C3CCC3)cc2=O)cc1C#N C1CC(C1)[*:1] COc1ccc(cc1C#N)Cn1cnc(cc1=O)[*:1]
CC[NH2+][C@]1(C(=O)[O-])CCc2ccc(OC)cc21 O=C([O-])[*:1] CC[NH2+][C@@]1(CCc2ccc(cc21)OC)[*:1]
C#CC[C@H](C)OC(=O)CN1C(=O)c2ccc(C)cc2C1=O C#CC[*:1] Cc1ccc2C(=O)N(CC(=O)O[C@@H](C)[*:1])C(=O)c2c1
O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1csc2nc(-c3cccs3)nn12 c1csc(c1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])NCCc1csc2nc(nn12)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1csc2nc(-c3cccs3)nn12 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])NCCc1csc2nc(nn12)-c1cccs1
O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1csc2nc(-c3cccs3)nn12 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C[*:1])NCCc1csc2nc(nn12)-c1cccs1
CS[C@H]1CC[C@@H](NC(=O)NCC2CCN(C(=O)c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)NCC1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2Cl)c1 CC(=O)N[*:1] C[C@@H](NC(=O)N[C@H](C)c1ccccc1Cl)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2Cl)c1 Clc1ccccc1[*:1] CC(=O)Nc1cccc(c1)[C@@H](C)NC(=O)N[C@H](C)[*:1]
CC[C@@H]1CCC[C@H](NC(=O)NCCc2cccc(O)c2)C1 Oc1cccc(c1)[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)NCC[*:1]
COc1cc(C)sc1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 c1cn(cn1)[*:1] COc1cc(C)sc1C(=O)NCc1ccc(c(F)c1)[*:1]
COc1cc(C)sc1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 COc1cc(C)sc1[*:1] O=C(NCc1ccc(c(F)c1)-n1ccnc1)[*:1]
CCCCOCCN1CCN(c2cccc[nH+]2)CC1 CCC[*:1] c1ccc([nH+]c1)N1CCN(CCOC[*:1])CC1
CCCCOCCN1CCN(c2cccc[nH+]2)CC1 CCCCO[*:1] c1ccc([nH+]c1)N1CCN(CC1)CC[*:1]
CCCCOCCN1CCN(c2cccc[nH+]2)CC1 CCCC[*:1] c1ccc([nH+]c1)N1CCN(CCO[*:1])CC1
CCCCOCCN1CCN(c2cccc[nH+]2)CC1 CCCCOC[*:1] c1ccc([nH+]c1)N1CCN(CC1)C[*:1]
O=C(CSC1=NCCS1)Nc1cccc(Cl)c1N1CCCCC1 C1CCN(CC1)[*:1] O=C(CSC1=NCCS1)Nc1cccc(Cl)c1[*:1]
COc1ccc(C2(CNC(=O)c3cccc(OC)c3OC)CCCC2)cc1 COc1ccc(cc1)[*:1] COc1cccc(C(=O)NCC2(CCCC2)[*:1])c1OC
CCN1CC[C@]2(CCC1=O)CN(C(=O)c1ccc(C)c(Cl)c1)CCN2C Cc1ccc(cc1Cl)[*:1] CCN1CC[C@]2(CCC1=O)CN(CCN2C)C(=O)[*:1]
COC[C@](C)(NC(=O)Nc1cn[nH]c1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)Nc1cn[nH]c1)[*:1]
COC[C@](C)(NC(=O)Nc1cn[nH]c1)c1ccccc1 COC[*:1] C[C@](NC(=O)Nc1cn[nH]c1)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)Nc1cn[nH]c1)c1ccccc1 c1n[nH]cc1[*:1] COC[C@](C)(NC(=O)N[*:1])c1ccccc1
CC(C)c1cccc2c1OCC[C@H]2[NH2+]Cc1nncn1C(C)C CC(C)[*:1] CC(C)c1cccc2c1OCC[C@H]2[NH2+]Cc1nncn1[*:1]
CC(C)c1cccc2c1OCC[C@H]2[NH2+]Cc1nncn1C(C)C CC(C)[*:1] CC(C)n1cnnc1C[NH2+][C@@H]1CCOc2c1cccc2[*:1]
Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cccc3ncccc23)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)Nc1cccc2ncccc12
COc1ccc(C(=O)NCc2nc3ccccc3n2Cc2cc(C)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)Cn1c(CNC(=O)[*:1])nc2ccccc21
COc1ccc(C(=O)NCc2nc3ccccc3n2Cc2cc(C)ccc2C)cc1 Cc1ccc(C)c(c1)C[*:1] COc1ccc(cc1)C(=O)NCc1nc2ccccc2n1[*:1]
COc1ccc(C(=O)NCc2nc3ccccc3n2Cc2cc(C)ccc2C)cc1 Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1)C(=O)NCc1nc2ccccc2n1C[*:1]
CCC[C@H]1C[C@]1(O)Cc1c(F)cccc1Cl CCC[*:1] O[C@]1(Cc2c(F)cccc2Cl)C[C@@H]1[*:1]
COc1ccc(Cl)cc1NC(=O)CC[S@](=O)Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)CC[S@](=O)C[*:1]
COc1ccc(Cl)cc1NC(=O)CC[S@](=O)Cc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(Cl)cc1NC(=O)CC[S@](=O)[*:1]
C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[*:1])C(=O)N1CCN(C)C[C@@H]1c1ccccc1
C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C)C[C@H]1[*:1]
C[C@H](SC[C@@H](O)CO)C(=O)c1ccc(Cl)s1 OC[C@H](O)C[*:1] C[C@H](S[*:1])C(=O)c1ccc(Cl)s1
C[C@H](SC[C@@H](O)CO)C(=O)c1ccc(Cl)s1 OC[C@H](O)[*:1] C[C@H](SC[*:1])C(=O)c1ccc(Cl)s1
COc1ccc(Cc2nnc3sc(-c4cc(CC(C)C)[nH]n4)nn23)cc1 CC(C)[*:1] COc1ccc(cc1)Cc1nnc2sc(nn12)-c1cc(C[*:1])[nH]n1
COc1ccc(Cc2nnc3sc(-c4cc(CC(C)C)[nH]n4)nn23)cc1 COc1ccc(cc1)[*:1] CC(C)Cc1cc(n[nH]1)-c1nn2c(C[*:1])nnc2s1
COc1ccc(Cc2nnc3sc(-c4cc(CC(C)C)[nH]n4)nn23)cc1 CC(C)C[*:1] COc1ccc(cc1)Cc1nnc2sc(nn12)-c1cc([nH]n1)[*:1]
CNC(=O)Cc1nc(COc2cc([N+](=O)[O-])ccc2OC)cs1 CNC(=O)[*:1] COc1ccc(cc1OCc1csc(C[*:1])n1)[N+](=O)[O-]
CNC(=O)Cc1nc(COc2cc([N+](=O)[O-])ccc2OC)cs1 O=[N+]([O-])[*:1] CNC(=O)Cc1nc(cs1)COc1cc(ccc1OC)[*:1]
CNC(=O)Cc1nc(COc2cc([N+](=O)[O-])ccc2OC)cs1 CNC(=O)C[*:1] COc1ccc(cc1OCc1csc(n1)[*:1])[N+](=O)[O-]
CC(=O)Oc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O CC(=O)O[*:1] O=C1C[C@@H](Oc2cc(cc(O)c21)[*:1])c1ccccc1
CC(=O)Oc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O c1ccc(cc1)[*:1] CC(=O)Oc1cc(O)c2C(=O)C[C@H](Oc2c1)[*:1]
CS(=O)(=O)c1ccc(CNC(=O)NC2CC[NH+](C3CC3)CC2)cc1 CS(=O)(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])NC1CC[NH+](CC1)C1CC1
Cc1nc(-c2c[nH]c(C(=O)NCC3(c4cccc(F)c4)CCOCC3)c2)cs1 Cc1nc(cs1)[*:1] O=C(NCC1(CCOCC1)c1cccc(F)c1)c1cc(c[nH]1)[*:1]
Cc1nc(-c2c[nH]c(C(=O)NCC3(c4cccc(F)c4)CCOCC3)c2)cs1 Fc1cccc(c1)[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)NCC1(CCOCC1)[*:1]
COc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(C)CC4)ncn3n2)cc1 COc1ccc(cc1)[*:1] CN1CCN(CC1)C(=O)Cn1ncn2nc(cc2c1=O)[*:1]
COc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(C)CC4)ncn3n2)cc1 CN1CCN(CC1)C(=O)[*:1] COc1ccc(cc1)-c1cc2c(=O)n(C[*:1])ncn2n1
C[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C[NH3+])c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C[NH3+])[*:1]
C[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C[NH3+])c1ccccc1 C[C@@H]1OCC[C@H]1[*:1] [NH3+]C[C@H](NC(=O)[*:1])c1ccccc1
O=C1CCC2(CCN(C(=O)[C@@H](O)c3ccccc3)CC2)CN1CCc1c[nH]c[nH+]1 O[C@@H](c1ccccc1)[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1CCc1c[nH]c[nH+]1
O=C1CCC2(CCN(C(=O)[C@@H](O)c3ccccc3)CC2)CN1CCc1c[nH]c[nH+]1 c1ccc(cc1)[*:1] O=C1CCC2(CCN(CC2)C(=O)[C@@H](O)[*:1])CN1CCc1c[nH]c[nH+]1
COc1ccc(CNC(=O)N(C)Cc2ccc3c(c2)OCO3)cn1 COc1ccc(cn1)[*:1] CN(Cc1ccc2OCOc2c1)C(=O)NC[*:1]
[NH3+][C@@H]1C=C[C@@H](C(=O)N2CCN(CCO)CC2)C1 OCC[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)N1CCN(CC1)[*:1]
CC(=O)c1cccn1Cc1nccs1 CC(=O)[*:1] c1cc(n(c1)Cc1nccs1)[*:1]
COC(=O)C/[NH+]=C1\NC[C@H](c2ccccc2)S1 COC(=O)[*:1] c1ccc(cc1)[C@H]1CN/C(=[NH+]\C[*:1])S1
COC(=O)C/[NH+]=C1\NC[C@H](c2ccccc2)S1 COC(=O)C[*:1] c1ccc(cc1)[C@H]1CNC(=[NH+][*:1])S1
COc1ccc(N2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1CCN(CC(=O)Nc2ccc(cc2)O[*:1])C1=O
COc1ccc(N2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2=O)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)N1CCN(CC(=O)Nc2ccc(cc2)[*:1])C1=O
COc1ccc(N2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])Nc1ccc(cc1)Oc1ccccc1
CCC(CC)[S@@](=O)[C@@H](C)CC(=O)OC COC(=O)[*:1] CCC(CC)[S@@](=O)[C@@H](C)C[*:1]
C[C@@H](CC#N)[NH2+]CCC(=O)NC1CC1 N#CC[*:1] C[C@@H]([NH2+]CCC(=O)NC1CC1)[*:1]
C[C@@H](CC#N)[NH2+]CCC(=O)NC1CC1 C1CC1[*:1] C[C@@H](CC#N)[NH2+]CCC(=O)N[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H](C)c1cccc(O)c1 Oc1cccc(c1)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H](C)[*:1]
CC[C@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1cccs1 c1cc(cs1)[*:1] CC[C@H](NC(=O)N(C)[C@H](C)C[*:1])c1cccs1
CC[C@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)[*:1]
CC[C@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1cccs1 c1cc(cs1)C[*:1] CC[C@H](NC(=O)N(C)[C@H](C)[*:1])c1cccs1
CC(C)CCNC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)[*:1] CC(C)CCNC(=O)NCc1ccc(nc1)O[*:1]
CC(C)CCNC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 CC(C)CC[*:1] O=C(NCc1ccc(nc1)Oc1ccc(F)cc1)N[*:1]
CC(C)CCNC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 CC(C)[*:1] O=C(NCC[*:1])NCc1ccc(nc1)Oc1ccc(F)cc1
CC(C)CCNC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 CC(C)C[*:1] O=C(NCc1ccc(nc1)Oc1ccc(F)cc1)NC[*:1]
CC(C)CCNC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)O[*:1] CC(C)CCNC(=O)NCc1ccc(nc1)[*:1]
CCCN(C(=O)c1cc2c(F)cccc2s1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(c1cc2c(F)cccc2s1)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCN(C(=O)c1cc2c(F)cccc2s1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCN(C(=O)c1cc2c(F)cccc2s1)[*:1]
C[C@@H]([NH2+]C[C@H]1C[C@@]12CCc1ccccc12)c1ccc(S(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] C[C@@H]([NH2+]C[C@H]1C[C@@]12CCc1ccccc12)c1ccc(c(F)c1)[*:1]
COCC(=O)N1CCC(C(=O)N2CC(Oc3ccccc3OC)C2)CC1 COc1ccccc1[*:1] COCC(=O)N1CCC(CC1)C(=O)N1CC(C1)O[*:1]
COCC(=O)N1CCC(C(=O)N2CC(Oc3ccccc3OC)C2)CC1 COC[*:1] COc1ccccc1OC1CN(C1)C(=O)C1CCN(CC1)C(=O)[*:1]
CCCN(CCC)C(=O)c1cccc(C)c1O CCC[*:1] CCCN(C(=O)c1cccc(C)c1O)[*:1]
O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2ccc(Cl)cc2)[NH2+]1 O=C([O-])[*:1] Clc1ccc(cc1)[C@H]1[NH2+][C@H](Cc2[nH]cnc21)[*:1]
CO[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CO[C@@H](NC(=O)CCl)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(N3CCCCCC3)c2)C1 CC(=O)N[*:1] O=C(Nc1cccc(c1)N1CCCCCC1)N1CCC[C@@H](C1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(N3CCCCCC3)c2)C1 C1CCCN(CC1)[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)[*:1]
COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccccc1NS(=O)(=O)c1cccc(c1)NC(=O)N[*:1]
COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1 COc1ccccc1[*:1] O=C(Nc1ccccc1)Nc1cccc(c1)S(=O)(=O)N[*:1]
Cc1cc(C)cc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)[*:1])N1CCCC1
Cc1cc(C)cc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)c1 O=C(N1CCCC1)[*:1] Cc1cc(C)cc(c1)C(=O)NC1CC[NH+](CC1)C[*:1]
Cc1cc(C)cc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)c1 O=C(C[*:1])N1CCCC1 Cc1cc(C)cc(c1)C(=O)NC1CC[NH+](CC1)[*:1]
C=CCOc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)c1 C=CCO[*:1] [NH3+]CCN1C(=O)CC[C@H]2CN(CC[C@H]21)C(=O)c1cccc(c1)[*:1]
C=CCOc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)c1 C=CC[*:1] [NH3+]CCN1C(=O)CC[C@H]2CN(CC[C@H]21)C(=O)c1cccc(c1)O[*:1]
Cc1ccc(O[C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)N/N=C/c1ccc2OCOc2c1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N/N=C/c1ccc2OCOc2c1
COc1ccc2c(C)c(C(=O)N3CCCO[C@@H](Cn4cccn4)C3)oc2c1 c1cnn(c1)C[*:1] COc1ccc2c(C)c(oc2c1)C(=O)N1CCCO[C@@H](C1)[*:1]
COc1ccc2c(C)c(C(=O)N3CCCO[C@@H](Cn4cccn4)C3)oc2c1 c1cnn(c1)[*:1] COc1ccc2c(C)c(oc2c1)C(=O)N1CCCO[C@H](C1)C[*:1]
O=C(NCCNC(=O)[C@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
O=C(CCS(=O)(=O)C[C@@H]1CCCO1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCS(=O)(=O)C[C@@H]1CCCO1)N[*:1]
COc1cccc([C@@H](C)CC(=O)N(C)CC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] COc1cccc(c1)[C@@H](C)CC(=O)N(C)[*:1]
COc1cccc([C@@H](C)CC(=O)N(C)CC(=O)N(C)C)c1 CN(C)C(=O)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)N(C)C[*:1]
COc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)[C@H](CNC(=O)[*:1])[NH+](C)C
COc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)c2)o1 Clc1ccc(cc1)[*:1] CCc1nnc(o1)-c1ccc(=O)n(c1)CC(=O)N[*:1]
CCc1nnc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)c2)o1 CCc1nnc(o1)[*:1] O=C(Cn1cc(ccc1=O)[*:1])Nc1ccc(Cl)cc1
C[C@H]([NH2+]Cc1ccnc(O[C@H]2CCOC2)c1)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H]([NH2+]Cc1ccnc(c1)O[C@H]1CCOC1)[*:1]
C[C@H]([NH2+]Cc1ccnc(O[C@H]2CCOC2)c1)C1CCOCC1 C1C[C@@H](CO1)O[*:1] C[C@H]([NH2+]Cc1ccnc(c1)[*:1])C1CCOCC1
C[C@H]([NH2+]Cc1ccnc(O[C@H]2CCOC2)c1)C1CCOCC1 C1C[C@@H](CO1)[*:1] C[C@H]([NH2+]Cc1ccnc(c1)O[*:1])C1CCOCC1
Cn1cc(NC(=O)c2nccc3ccccc23)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(NC(=O)c2nccc3ccccc23)c(n1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(OC)cc2)C1 COc1ccc(cc1)C[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)c1cc2sc(C)cc2n1[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(OC)cc2)C1 CCOC(=O)[*:1] COc1ccc(cc1)Cn1c(cc2sc(C)cc21)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)c1cc2sc(C)cc2n1C[*:1]
COc1cc(/C=C/C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC Cc1ccc(cc1)[*:1] COc1cc(/C=C/C(=O)N[*:1])cc(Cl)c1OC
C=CCOc1cccc(/C=C(\C#N)c2cccc(C#N)c2)c1 C=CC[*:1] N#C/C(=C\c1cccc(c1)O[*:1])c1cccc(C#N)c1
C=CCOc1cccc(/C=C(\C#N)c2cccc(C#N)c2)c1 C=CCO[*:1] N#C/C(=C\c1cccc(c1)[*:1])c1cccc(C#N)c1
CC(C)c1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 CC(C)[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)c1ccc(cc1)[*:1]
Cc1ccccc1OCCNC(=O)c1coc(Br)c1 Brc1cc(co1)[*:1] Cc1ccccc1OCCNC(=O)[*:1]
CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](c2ncc[nH]2)C1 C1CCC(CC1)[*:1] CN(S(=O)(=O)N1CCC[C@@H](C1)c1ncc[nH]1)[*:1]
CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](c2ncc[nH]2)C1 c1c[nH]c(n1)[*:1] CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
CC(=O)N[C@H](C(=O)Oc1cccc(C(F)(F)F)c1)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)Oc1cccc(c1)C(F)(F)F)[*:1]
CC(=O)N[C@H](C(=O)Oc1cccc(C(F)(F)F)c1)C(C)C FC(F)(F)[*:1] CC(=O)N[C@H](C(=O)Oc1cccc(c1)[*:1])C(C)C
CC(=O)N[C@H](C(=O)Oc1cccc(C(F)(F)F)c1)C(C)C CC(=O)N[*:1] CC(C)[C@@H](C(=O)Oc1cccc(c1)C(F)(F)F)[*:1]
CCOc1ccc(OCC)c(NC(=O)CN2C[C@H](C)OCC2(C)C)c1 CCO[*:1] CCOc1ccc(c(c1)NC(=O)CN1C[C@H](C)OCC1(C)C)[*:1]
CCOc1ccc(OCC)c(NC(=O)CN2C[C@H](C)OCC2(C)C)c1 CCO[*:1] CCOc1ccc(cc1NC(=O)CN1C[C@H](C)OCC1(C)C)[*:1]
CC(C)(C)c1ccc(NNC(=O)NC[C@H]2CCCN(c3ncccn3)C2)nn1 CC(C)(C)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)NNc1ccc(nn1)[*:1]
CC(C)(C)c1ccc(NNC(=O)NC[C@H]2CCCN(c3ncccn3)C2)nn1 c1cnc(nc1)[*:1] CC(C)(C)c1ccc(nn1)NNC(=O)NC[C@H]1CCCN(C1)[*:1]
C/C(Cn1nnc2ccccc21)=N\NC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C/C(Cn1nnc2ccccc21)=N\NC(=O)[*:1]
CC[NH2+][C@@H](C)C(C)(C)CN(C)CCO OCC[*:1] CC[NH2+][C@@H](C)C(C)(C)CN(C)[*:1]
O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1F)N2 O=[N+]([O-])[*:1] Fc1ccccc1[C@H]1Nc2ccc(cc2[C@H]2[C@H]3CC[C@H](C3)[C@H]12)[*:1]
O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1F)N2 Fc1ccccc1[*:1] O=[N+]([O-])c1ccc2N[C@H]([C@@H]3[C@@H](c2c1)[C@H]1CC[C@@H]3C1)[*:1]
O=C(Nc1ccc(O)cc1)C(=O)Nc1nc2ccccc2s1 Oc1ccc(cc1)[*:1] O=C(Nc1nc2ccccc2s1)C(=O)N[*:1]
CCOc1ccc(C(=O)NNC(=O)N[C@H](CC)c2c(C)nn(C)c2C)cc1 Cc1nn(C)c(C)c1[*:1] CCOc1ccc(cc1)C(=O)NNC(=O)N[C@H](CC)[*:1]
CCOc1ccc(C(=O)NNC(=O)N[C@H](CC)c2c(C)nn(C)c2C)cc1 CCO[*:1] CC[C@@H](NC(=O)NNC(=O)c1ccc(cc1)[*:1])c1c(C)nn(C)c1C
CCOc1ccc(C(=O)NNC(=O)N[C@H](CC)c2c(C)nn(C)c2C)cc1 CCOc1ccc(cc1)[*:1] CC[C@@H](NC(=O)NNC(=O)[*:1])c1c(C)nn(C)c1C
O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[NH2+]CCO1)CC2 Fc1ccccc1C[*:1] O=C([C@@H]1C[NH2+]CCO1)N1CCc2ccc(cc2C1)NC(=O)[*:1]
O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[NH2+]CCO1)CC2 Fc1ccccc1[*:1] O=C(C[*:1])Nc1ccc2CCN(Cc2c1)C(=O)[C@@H]1C[NH2+]CCO1
C#CC[C@@H](C(=O)[O-])c1cccc(Br)c1 C#CC[*:1] O=C([O-])[C@@H](c1cccc(Br)c1)[*:1]
C#CC[C@@H](C(=O)[O-])c1cccc(Br)c1 O=C([O-])[*:1] C#CC[C@@H](c1cccc(Br)c1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C1 CCNS(=O)(=O)[*:1] N#Cc1ccc(cc1)NC(=O)N1CC[C@H](C1)[*:1]
COC(=O)c1ccccc1NC(=O)Cn1cnc(C#N)n1 COC(=O)[*:1] N#Cc1ncn(CC(=O)Nc2ccccc2[*:1])n1
COC(=O)c1ccccc1NC(=O)Cn1cnc(C#N)n1 N#Cc1ncn(n1)[*:1] COC(=O)c1ccccc1NC(=O)C[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)N(C)[C@H](C)c1cccs1 c1csc(c1)[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)N(C)[C@H](C)[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)N(C)[C@H](C)c1cccs1 C[C@H](c1cccs1)[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)N(C)[*:1]
Cc1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2cccc(Br)c2)n1 Brc1cccc(c1)[*:1] Cc1cc(NC(=O)c2ccccc2C(F)(F)F)n(n1)[*:1]
Cc1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2cccc(Br)c2)n1 FC(F)(F)[*:1] Cc1cc(NC(=O)c2ccccc2[*:1])n(n1)-c1cccc(Br)c1
C[C@@](C(=O)[O-])([NH+]1CC2(CCCCCC2)C1)C(F)(F)F FC(F)(F)[*:1] C[C@@](C(=O)[O-])([NH+]1CC2(CCCCCC2)C1)[*:1]
C[C@@](C(=O)[O-])([NH+]1CC2(CCCCCC2)C1)C(F)(F)F O=C([O-])[*:1] C[C@@]([NH+]1CC2(CCCCCC2)C1)(C(F)(F)F)[*:1]
COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1c(C)nn(C)c1C)C1CC1 C1CC1[*:1] COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1c(C)nn(C)c1C)[*:1]
COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1c(C)nn(C)c1C)C1CC1 Cc1nn(C)c(C)c1[*:1] COc1cc(C)c(C)cc1S(=O)(=O)N(C[*:1])C1CC1
CC(=O)Nc1ccc(NC(=O)N(C)CCCc2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(NC(=O)N(C)CCC[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)N(C)CCCc2ccccc2)c(Cl)c1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(NC(=O)N(C)CC[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)N(C)CCCc2ccccc2)c(Cl)c1 c1ccc(cc1)CC[*:1] CC(=O)Nc1ccc(NC(=O)N(C)C[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)N(C)CCCc2ccccc2)c(Cl)c1 CC(=O)N[*:1] CN(CCCc1ccccc1)C(=O)Nc1ccc(cc1Cl)[*:1]
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] C=CCNS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 C=CC[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCN(CC1)c1ccc(F)cc1
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 C=CCNS(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccccc1C(=O)NC1CC1 Fc1cccc(c1)[*:1] O=C(CSc1nnnn1[*:1])Nc1ccccc1C(=O)NC1CC1
O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccccc1C(=O)NC1CC1 C1CC1[*:1] O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccccc1C(=O)N[*:1]
O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccccc1C(=O)NC1CC1 O=C(NC1CC1)[*:1] O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccccc1[*:1]
CC(C)[C@@H](NC(=O)CCOc1ccccc1Cl)c1ccc2c(c1)OCCO2 Clc1ccccc1O[*:1] CC(C)[C@@H](NC(=O)CC[*:1])c1ccc2OCCOc2c1
CC(C)[C@@H](NC(=O)CCOc1ccccc1Cl)c1ccc2c(c1)OCCO2 CC(C)[*:1] O=C(CCOc1ccccc1Cl)N[C@@H](c1ccc2OCCOc2c1)[*:1]
CC(C)[C@@H](NC(=O)CCOc1ccccc1Cl)c1ccc2c(c1)OCCO2 Clc1ccccc1[*:1] CC(C)[C@@H](NC(=O)CCO[*:1])c1ccc2OCCOc2c1
CC(C)[C@@H](NC(=O)CCOc1ccccc1Cl)c1ccc2c(c1)OCCO2 Clc1ccccc1OC[*:1] CC(C)[C@@H](NC(=O)C[*:1])c1ccc2OCCOc2c1
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 CN(C1CC1)S(=O)(=O)[*:1] O=C(Nc1nc(cs1)-c1ccc2OCCOc2c1)c1ccc(cc1)[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 C1CC1[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccc2OCCOc2c1)[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 c1cc2OCCOc2cc1[*:1] CN(C1CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4C[C@H](C)O[C@@H](C)C4)c3n2)cc1 FC(F)[*:1] COc1ccc(cc1)-c1cc(n2ncc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2n1)[*:1]
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4C[C@H](C)O[C@@H](C)C4)c3n2)cc1 COc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1cnn2c(cc(nc12)[*:1])C(F)F
CC(C)(C)n1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cn1 CC(C)(C)[*:1] O=C1c2ccccc2N[C@@H](c2cnn(c2)[*:1])N1c1ccc2OCOc2c1
CC(C)(C)n1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cn1 c1cc2OCOc2cc1[*:1] CC(C)(C)n1cc(cn1)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
CC(C)(C)n1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cn1 CC(C)(C)n1cc(cn1)[*:1] O=C1c2ccccc2N[C@H](N1c1ccc2OCOc2c1)[*:1]
NC(=S)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 NC(=S)NN=C[*:1] Brc1ccc(cc1)-c1ccc(o1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cnccn3)CC2)cc1 c1cnc(cn1)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cnccn3)CC2)cc1 CCO[*:1] O=C(c1cnccn1)N1CC=C(CC1)c1ccc(cc1)[*:1]
CN(Cc1csc(Br)c1)C1=NS(=O)(=O)c2ccccc21 Brc1cc(cs1)[*:1] CN(C[*:1])C1=NS(=O)(=O)c2ccccc21
N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1ccccn1 Brc1ccc(cc1)[*:1] N#C[C@@H](C(=O)C1(CCC1)[*:1])c1ccccn1
N#C[C@@H](C(=O)C1(c2ccc(Br)cc2)CCC1)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@@H](C(=O)C1(CCC1)c1ccc(Br)cc1)[*:1]
O=C(COc1ccc(F)cc1F)Nc1cccnc1-n1cccn1 Fc1ccc(c(F)c1)[*:1] O=C(CO[*:1])Nc1cccnc1-n1cccn1
O=C(COc1ccc(F)cc1F)Nc1cccnc1-n1cccn1 c1cnn(c1)[*:1] O=C(COc1ccc(F)cc1F)Nc1cccnc1[*:1]
COc1ccccc1N1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 COc1ccccc1[*:1] O=C1CC2(CCCC2)C(=O)N1CN1CCN(CC1)[*:1]
O=C(N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCCO2)c1ccc(Br)s1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C[*:1])c1ccc2OCCCOc2c1)c1ccc(Br)s1
O=C(N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCCO2)c1ccc(Br)s1 c1ccc(cc1)CC[*:1] O=C(N[C@@H](c1ccc2OCCCOc2c1)[*:1])c1ccc(Br)s1
O=C(N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCCO2)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(N[C@@H](CCc1ccccc1)c1ccc2OCCCOc2c1)[*:1]
O=C(N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCCO2)c1ccc(Br)s1 O=C(N[*:1])c1ccc(Br)s1 c1ccc(cc1)CC[C@@H](c1ccc2OCCCOc2c1)[*:1]
O=C(N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCCO2)c1ccc(Br)s1 c1ccc(cc1)[*:1] O=C(N[C@@H](CC[*:1])c1ccc2OCCCOc2c1)c1ccc(Br)s1
O=C([C@H]1CN(Cc2cc(=O)n3ccsc3n2)c2ccccc2O1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=c1cc(CN2C[C@@H](Oc3ccccc32)[*:1])nc2sccn12
O=C(NCCN1CCOCC1)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCCN1CCOCC1)N1CCC[C@@H]1[*:1]
O=C(NCCN1CCOCC1)N1CCC[C@H]1Cc1ccccc1 C1CN(CCO1)C[*:1] O=C(NC[*:1])N1CCC[C@H]1Cc1ccccc1
O=C(NCCN1CCOCC1)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)N1CCC[C@H]1C[*:1]
O=C(NCCN1CCOCC1)N1CCC[C@H]1Cc1ccccc1 C1CN(CCO1)[*:1] O=C(NCC[*:1])N1CCC[C@H]1Cc1ccccc1
C[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccc(F)cc1 CS(=O)(=O)N[*:1] C[C@H](C(=O)N(C)Cc1ccc(F)cc1)[*:1]
O=C(Cn1c(CNC(=O)C2CC2)nc2ccccc21)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Cn1c(CNC(=O)C2CC2)nc2ccccc21)N[*:1]
O=C(Cn1c(CNC(=O)C2CC2)nc2ccccc21)Nc1ccc(Br)cc1 O=C(N[*:1])C1CC1 O=C(Cn1c(C[*:1])nc2ccccc21)Nc1ccc(Br)cc1
O=C(Cn1c(CNC(=O)C2CC2)nc2ccccc21)Nc1ccc(Br)cc1 C1CC1[*:1] O=C(Cn1c(CNC(=O)[*:1])nc2ccccc21)Nc1ccc(Br)cc1
O=C(Cn1c(CNC(=O)C2CC2)nc2ccccc21)Nc1ccc(Br)cc1 O=C(NC[*:1])C1CC1 O=C(Cn1c(nc2ccccc21)[*:1])Nc1ccc(Br)cc1
Cc1cc(OCc2n[nH]c(S[C@H](C)C(N)=O)n2)ccc1Cl NC(=O)[*:1] Cc1cc(ccc1Cl)OCc1n[nH]c(n1)S[C@H](C)[*:1]
Cc1cc(OCc2n[nH]c(S[C@H](C)C(N)=O)n2)ccc1Cl C[C@H](C(N)=O)[*:1] Cc1cc(ccc1Cl)OCc1n[nH]c(n1)S[*:1]
Cc1cc(OCc2n[nH]c(S[C@H](C)C(N)=O)n2)ccc1Cl C[C@@H](S[*:1])C(N)=O Cc1cc(ccc1Cl)OCc1n[nH]c(n1)[*:1]
CC1(C)Oc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2NC1=O O=C([O-])[*:1] CC1(C)Oc2ccc(cc2NC1=O)NC(=O)[C@H]1CC=CC[C@H]1[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)c2ccnn2C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)c1ccnn1[*:1]
CCc1ccc2oc(-c3cccc(NC(=S)NC(C)=O)c3)nc2c1 CC(=O)NC(=S)N[*:1] CCc1ccc2oc(nc2c1)-c1cccc(c1)[*:1]
O=S1(=O)C[C@H](O)[C@@H](N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 FC(F)(F)[*:1] O=S1(=O)C[C@H](O)[C@H](C1)N1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)n1ncc2c(F)cccc21 CC(C)(C)[*:1] O=C(O[*:1])n1ncc2c(F)cccc21
CCNC(=O)c1cccc(CNC(=O)N[C@H]2CCCn3c(C)nnc32)c1 CCNC(=O)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)NCc1cccc(c1)[*:1]
CCc1cnc(CCNC(=O)N2CCOC[C@@H]2C2CC2)s1 CCc1cnc(s1)[*:1] O=C(NCC[*:1])N1CCOC[C@@H]1C1CC1
CCc1cnc(CCNC(=O)N2CCOC[C@@H]2C2CC2)s1 C1CC1[*:1] CCc1cnc(CCNC(=O)N2CCOC[C@H]2[*:1])s1
Cc1cnc(C(=O)N2CC[C@@H](c3nc(C)cc(C)n3)C2)cn1 Cc1cnc(cn1)[*:1] Cc1cc(C)nc(n1)[C@@H]1CCN(C1)C(=O)[*:1]
Cc1nn(C)c2nc(-c3cccnc3)nc(NCCc3ccncc3)c12 c1cncc(c1)[*:1] Cc1nn(C)c2nc(nc(NCCc3ccncc3)c12)[*:1]
Cc1nn(C)c2nc(-c3cccnc3)nc(NCCc3ccncc3)c12 c1cc(ccn1)CC[*:1] Cc1nn(C)c2nc(nc(N[*:1])c12)-c1cccnc1
Cc1nn(C)c2nc(-c3cccnc3)nc(NCCc3ccncc3)c12 c1cc(ccn1)C[*:1] Cc1nn(C)c2nc(nc(NC[*:1])c12)-c1cccnc1
Cc1nn(C)c2nc(-c3cccnc3)nc(NCCc3ccncc3)c12 c1cc(ccn1)[*:1] Cc1nn(C)c2nc(nc(NCC[*:1])c12)-c1cccnc1
O=C(Nc1nccs1)N1CCC[C@H]1c1ccc2c(c1)OCO2 c1csc(n1)[*:1] O=C(N[*:1])N1CCC[C@H]1c1ccc2OCOc2c1
Cc1ccsc1CNC(=O)CCc1c(C)nc2nc(N)nn2c1C Cc1ccsc1C[*:1] Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[*:1]
Cc1ccsc1CNC(=O)CCc1c(C)nc2nc(N)nn2c1C Cc1ccsc1[*:1] Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[*:1]
COC(=O)[C@H]1CCN(C(=O)Cc2cn3ccccc3n2)c2ccccc21 COC(=O)[*:1] O=C(Cc1cn2ccccc2n1)N1CC[C@@H](c2ccccc21)[*:1]
CSCC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C CSCC[*:1] C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@@H](C)[*:1]
CSCC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C CSC[*:1] C[C@@H](C[*:1])NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C
CSCC[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C CSCC[C@H](C)[*:1] C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[*:1]
O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(Cn1cnc2c(csc2c1=O)[*:1])Nc1ccc2OCOc2c1
O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Cn1cnc2c(csc2c1=O)-c1ccccc1)N[*:1]
COc1ccc(C)cc1NC(=O)CCC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)CCC(=O)[*:1]
CC(C)c1nccn1Cc1cccc(NC(=O)c2cn(C)nc2C(C)(C)C)c1 CC(C)[*:1] Cn1cc(C(=O)Nc2cccc(c2)Cn2ccnc2[*:1])c(n1)C(C)(C)C
CC(C)c1nccn1Cc1cccc(NC(=O)c2cn(C)nc2C(C)(C)C)c1 CC(C)c1nccn1C[*:1] Cn1cc(C(=O)Nc2cccc(c2)[*:1])c(n1)C(C)(C)C
CC(C)c1nccn1Cc1cccc(NC(=O)c2cn(C)nc2C(C)(C)C)c1 CC(C)(C)[*:1] CC(C)c1nccn1Cc1cccc(c1)NC(=O)c1cn(C)nc1[*:1]
CC(C)c1nccn1Cc1cccc(NC(=O)c2cn(C)nc2C(C)(C)C)c1 CC(C)c1nccn1[*:1] Cn1cc(C(=O)Nc2cccc(c2)C[*:1])c(n1)C(C)(C)C
CC[C@](C)(C(=O)[O-])[C@H]1CCC[C@H](OC)C1 O=C([O-])[*:1] CC[C@](C)([C@H]1CCC[C@@H](C1)OC)[*:1]
O=C(c1n[nH]c2ccccc12)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=C(c1n[nH]c2ccccc12)N1CCO[C@@H](C1)[*:1]
CCOc1ccc2nc(NC(=O)[C@H](Br)CC)sc2c1 CC[C@@H](Br)[*:1] CCOc1ccc2nc(NC(=O)[*:1])sc2c1
CCOc1ccc2nc(NC(=O)[C@H](Br)CC)sc2c1 CCO[*:1] CC[C@@H](Br)C(=O)Nc1nc2ccc(cc2s1)[*:1]
Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 Clc1cc(Br)ccc1[*:1] Cc1nnnn1-c1cccc(c1)[N-]S(=O)(=O)[*:1]
Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 Cc1nnnn1[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1ccc(Br)cc1Cl
Cn1c(C(=O)N2CC=C(c3ccccc3)CC2)cc(=O)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(cc(=O)n(C)c1=O)C(=O)N1CC=C(CC1)[*:1]
CC(C)(C)n1ncc2c(NCC3(c4ccncc4)CC3)ncnc21 c1cc(ccn1)[*:1] CC(C)(C)n1ncc2c(ncnc21)NCC1(CC1)[*:1]
CC(C)(C)n1ncc2c(NCC3(c4ccncc4)CC3)ncnc21 CC(C)(C)[*:1] c1cc(ccn1)C1(CC1)CNc1ncnc2c1cnn2[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 Cc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[*:1]
COc1cccc(C[C@H](N[C@@H](C)c2scnc2C)c2ccccc2)c1 COc1cccc(c1)[*:1] Cc1ncsc1[C@H](C)N[C@@H](C[*:1])c1ccccc1
COc1cccc(C[C@H](N[C@@H](C)c2scnc2C)c2ccccc2)c1 Cc1ncsc1[*:1] COc1cccc(c1)C[C@H](N[C@@H](C)[*:1])c1ccccc1
COc1cccc(C[C@H](N[C@@H](C)c2scnc2C)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C[C@H](N[C@@H](C)c1scnc1C)[*:1]
CC(C)N1C[C@@H](C(=O)Nc2ccccc2C(C)(C)C)CC1=O CC(C)(C)[*:1] CC(C)N1C[C@H](CC1=O)C(=O)Nc1ccccc1[*:1]
CC(C)N1C[C@@H](C(=O)Nc2ccccc2C(C)(C)C)CC1=O CC(C)[*:1] CC(C)(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COC(=O)C1CCN(S(=O)(=O)/N=C(\[O-])c2ccoc2C)CC1 Cc1occc1[*:1] COC(=O)C1CCN(CC1)S(=O)(=O)/N=C(\[O-])[*:1]
COC(=O)C1CCN(S(=O)(=O)/N=C(\[O-])c2ccoc2C)CC1 COC(=O)[*:1] Cc1occc1/C([O-])=N/S(=O)(=O)N1CCC(CC1)[*:1]
CCc1ccc(CCNC(=O)CCN2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 CCc1ccc(cc1)[*:1] O=C(CCN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O)NCC[*:1]
CCc1ccc(CCNC(=O)CCN2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 CCc1ccc(cc1)C[*:1] O=C(CCN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O)NC[*:1]
Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2F)ncc1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)NC[*:1])[C@H]1CCCN1C(=O)COc1ccccc1F
Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2F)ncc1C(=O)NCc1ccccc1 Fc1ccccc1O[*:1] Cc1nc(ncc1C(=O)NCc1ccccc1)[C@H]1CCCN1C(=O)C[*:1]
Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2F)ncc1C(=O)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] Cc1nc(ncc1[*:1])[C@H]1CCCN1C(=O)COc1ccccc1F
Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2F)ncc1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(ncc1C(=O)N[*:1])[C@H]1CCCN1C(=O)COc1ccccc1F
Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2F)ncc1C(=O)NCc1ccccc1 Fc1ccccc1OC[*:1] Cc1nc(ncc1C(=O)NCc1ccccc1)[C@H]1CCCN1C(=O)[*:1]
Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2F)ncc1C(=O)NCc1ccccc1 Fc1ccccc1[*:1] Cc1nc(ncc1C(=O)NCc1ccccc1)[C@H]1CCCN1C(=O)CO[*:1]
COc1cccc(C[NH+](Cc2ccc([N+](=O)[O-])c(O)c2)C2CCC(O)CC2)c1 COc1cccc(c1)[*:1] O=[N+]([O-])c1ccc(cc1O)C[NH+](C[*:1])C1CCC(O)CC1
COc1cccc(C[NH+](Cc2ccc([N+](=O)[O-])c(O)c2)C2CCC(O)CC2)c1 COc1cccc(c1)C[*:1] O=[N+]([O-])c1ccc(cc1O)C[NH+](C1CCC(O)CC1)[*:1]
COc1cccc(C[NH+](Cc2ccc([N+](=O)[O-])c(O)c2)C2CCC(O)CC2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)C[NH+](Cc1ccc(c(O)c1)[*:1])C1CCC(O)CC1
CC(C)NC(=O)COc1coc(C[NH+]2CCN(c3ccccc3)CC2)cc1=O CC(C)[*:1] O=C(COc1coc(cc1=O)C[NH+]1CCN(CC1)c1ccccc1)N[*:1]
CC(C)NC(=O)COc1coc(C[NH+]2CCN(c3ccccc3)CC2)cc1=O c1ccc(cc1)[*:1] CC(C)NC(=O)COc1coc(cc1=O)C[NH+]1CCN(CC1)[*:1]
CC(C)NC(=O)COc1coc(C[NH+]2CCN(c3ccccc3)CC2)cc1=O CC(C)NC(=O)C[*:1] O=c1cc(C[NH+]2CCN(CC2)c2ccccc2)occ1O[*:1]
CC(C)NC(=O)COc1coc(C[NH+]2CCN(c3ccccc3)CC2)cc1=O CC(C)NC(=O)CO[*:1] O=c1cc(C[NH+]2CCN(CC2)c2ccccc2)occ1[*:1]
CC(C)NC(=O)COc1coc(C[NH+]2CCN(c3ccccc3)CC2)cc1=O CC(C)NC(=O)[*:1] O=c1cc(C[NH+]2CCN(CC2)c2ccccc2)occ1OC[*:1]
CNC(=O)[C@H]1CC(=O)N/C(=N/N=C(/C)c2cccs2)S1 CNC(=O)[*:1] C/C(=N/N=C1/NC(=O)C[C@@H](S1)[*:1])c1cccs1
CNC(=O)[C@H]1CC(=O)N/C(=N/N=C(/C)c2cccs2)S1 c1csc(c1)[*:1] CNC(=O)[C@H]1CC(=O)N/C(=N/N=C(C)[*:1])S1
CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)S[*:1]
CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)Sc1ccccn1 c1ccc(nc1)S[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)[*:1]
CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)Sc1ccccn1 CC(C)[*:1] C[C@H](Sc1ccccn1)C(=O)Nc1cc(C#N)ccc1O[*:1]
CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H](C)Sc1ccccn1 CC(C)O[*:1] C[C@H](Sc1ccccn1)C(=O)Nc1cc(C#N)ccc1[*:1]
CC[NH2+][C@@H]([C@@H]1CCOC2(CCC2)C1)[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] CC[NH2+][C@@H]([C@@H]1CCOC2(CCC2)C1)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)Cc1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)C[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)Cc1c(C)nn(C)c1C Cc1cccc(C)c1[*:1] Cc1nn(C)c(C)c1CC(=O)NCC(=O)N[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)NC(=O)NC(C)C)CC2)c(F)c1 CC(C)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)CC(=O)NC(=O)N[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)NC(=O)NC(C)C)CC2)c(F)c1 CC(=O)[*:1] CC(C)NC(=O)NC(=O)CN1CCN(CC1)c1ccc(cc1F)[*:1]
Fc1cccc(F)c1NCc1cccs1 c1csc(c1)[*:1] Fc1cccc(F)c1NC[*:1]
CCOC[C@H]1CCN(c2nccc(OCc3ccccc3)n2)C1 c1ccc(cc1)[*:1] CCOC[C@H]1CCN(C1)c1nccc(n1)OC[*:1]
CCOC[C@H]1CCN(c2nccc(OCc3ccccc3)n2)C1 c1ccc(cc1)C[*:1] CCOC[C@H]1CCN(C1)c1nccc(n1)O[*:1]
CCOC[C@H]1CCN(c2nccc(OCc3ccccc3)n2)C1 CCO[*:1] c1ccc(cc1)COc1ccnc(n1)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(c2nccc(OCc3ccccc3)n2)C1 CCOC[*:1] c1ccc(cc1)COc1ccnc(n1)N1CC[C@@H](C1)[*:1]
CCOC(=O)CC[NH+]1[C@H](C)CCC[C@H]1C CCOC(=O)[*:1] C[C@@H]1CCC[C@@H](C)[NH+]1CC[*:1]
Cc1ccccc1-c1noc(N)c1C(N)=O NC(=O)[*:1] Cc1ccccc1-c1noc(N)c1[*:1]
CCCNC(=O)CN[C@@H]1CCC[C@@H]([NH3+])C1 CCC[*:1] [NH3+][C@@H]1CCC[C@H](C1)NCC(=O)N[*:1]
Cc1ccc(C2=C[C@H](C(=O)N3CCC[C@@H]3c3ccc(C(N)=O)s3)N=N2)o1 NC(=O)c1ccc(s1)[*:1] Cc1ccc(o1)C1=C[C@@H](N=N1)C(=O)N1CCC[C@H]1[*:1]
Cc1ccc(C2=C[C@H](C(=O)N3CCC[C@@H]3c3ccc(C(N)=O)s3)N=N2)o1 NC(=O)[*:1] Cc1ccc(o1)C1=C[C@@H](N=N1)C(=O)N1CCC[C@@H]1c1ccc(s1)[*:1]
Cc1ccc(C2=C[C@H](C(=O)N3CCC[C@@H]3c3ccc(C(N)=O)s3)N=N2)o1 Cc1ccc(o1)[*:1] NC(=O)c1ccc(s1)[C@H]1CCCN1C(=O)[C@H]1C=C(N=N1)[*:1]
C=CCNC(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 C=CCNC(=O)N[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)CC[*:1]
C=CCNC(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C=CCNC(=O)NCCS(=O)(=O)c1ccc(cc1)[*:1]
C=CCNC(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 C=CC[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)CCNC(=O)N[*:1]
CC(C)(C)c1nc(CNC(=O)N2CCN(c3ncccc3F)CC2)no1 Fc1cccnc1[*:1] CC(C)(C)c1nc(CNC(=O)N2CCN(CC2)[*:1])no1
CC(C)(C)c1nc(CNC(=O)N2CCN(c3ncccc3F)CC2)no1 CC(C)(C)[*:1] O=C(NCc1noc(n1)[*:1])N1CCN(CC1)c1ncccc1F
C[C@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CC(=O)N[C@@H](C)c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CC[NH+](CC1)CC(=O)N[C@@H](C)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CC(=O)N[C@@H](C)c3ccccc3)CC2)C1 C[C@@H](c1ccccc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CC[NH+](CC1)CC(=O)N[*:1]
CC1CCC(CNC(=O)NCc2ccc(C(=O)[O-])o2)CC1 O=C([O-])[*:1] CC1CCC(CC1)CNC(=O)NCc1ccc(o1)[*:1]
CC1CCC(CNC(=O)NCc2ccc(C(=O)[O-])o2)CC1 CC1CCC(CC1)[*:1] O=C(NCc1ccc(o1)C(=O)[O-])NC[*:1]
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])S(=O)(=O)N1CCC[C@H](C)C1
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])S(=O)(=O)N1CCC[C@H](C)C1
O=S(=O)(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CC[C@@H]1CC[C@](C[C@@H]2CCCc3ccccc32)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H]1CC[C@](C[C@@H]2CCCc3ccccc32)(C1)[*:1]
COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])c1ccccc1[*:1] COC(=O)c1ccc(c(c1)NC(=O)[*:1])N1CCN(CC1)C(C)=O
COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1ccc(c(c1)NC(=O)c1ccccc1[*:1])N1CCN(CC1)C(C)=O
COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 COC(=O)[*:1] CC(=O)N1CCN(CC1)c1ccc(cc1NC(=O)c1ccccc1[N+](=O)[O-])[*:1]
COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 CC(=O)N1CCN(CC1)[*:1] COC(=O)c1ccc(c(c1)NC(=O)c1ccccc1[N+](=O)[O-])[*:1]
CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1c[nH]nc1-c1ccccn1 CCS[*:1] O=C(Nc1c[nH]nc1-c1ccccn1)N[C@H]1CCC[C@H]1[*:1]
CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1c[nH]nc1[*:1]
CC(C)C/[NH+]=C(\N)SCC(=O)N1[C@H](C)CCC[C@H]1C CC(C)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)CS/C(N)=[NH+]/C[*:1]
CC(C)C/[NH+]=C(\N)SCC(=O)N1[C@H](C)CCC[C@H]1C CC(C)C[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)CSC(N)=[NH+][*:1]
CC1(C)CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C1 Clc1ccc(s1)[*:1] CC1(C)CCN(C1)C(=O)c1cc(on1)[*:1]
Cc1cc(C)c(C[NH2+]Cc2ccnc(OCC(F)F)c2)cc1C FC(F)C[*:1] Cc1cc(C)c(cc1C)C[NH2+]Cc1ccnc(c1)O[*:1]
Cc1cc(C)c(C[NH2+]Cc2ccnc(OCC(F)F)c2)cc1C FC(F)[*:1] Cc1cc(C)c(cc1C)C[NH2+]Cc1ccnc(c1)OC[*:1]
Cc1cc(C)c(C[NH2+]Cc2ccnc(OCC(F)F)c2)cc1C FC(F)CO[*:1] Cc1cc(C)c(cc1C)C[NH2+]Cc1ccnc(c1)[*:1]
O=C(c1snnc1-c1ccccc1)N1CCC2(CC1)OCCO2 c1ccc(cc1)[*:1] O=C(c1snnc1[*:1])N1CCC2(CC1)OCCO2
NC(=O)NC1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 NC(=O)N[*:1] c1ccc2nc(c(cc2c1)C[NH+]1CCC(CC1)[*:1])N1CCCCC1
NC(=O)NC1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 C1CCN(CC1)[*:1] NC(=O)NC1CC[NH+](CC1)Cc1cc2ccccc2nc1[*:1]
CCOc1ccc(F)c(C(=O)NC(C)(C)c2ccc3c(c2)OCO3)c1F CCO[*:1] CC(C)(NC(=O)c1c(F)ccc(c1F)[*:1])c1ccc2OCOc2c1
C[C@@H](CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 O=S1(=O)CC[C@H](C1)[*:1] C[C@@H](CNC(=O)C1CCC(=O)N(N=1)[*:1])c1ccccc1
C[C@@H](CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NC[*:1])C1CCC(=O)N(N=1)[C@@H]1CCS(=O)(=O)C1
C[C@@H](CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)C1CCC(=O)N(N=1)[C@@H]1CCS(=O)(=O)C1)[*:1]
COCc1cccc(N[C@H](C)C(=O)Nc2ccc(C)c(C)c2)c1 COC[*:1] Cc1ccc(cc1C)NC(=O)[C@@H](C)Nc1cccc(c1)[*:1]
O=C(CCC(=O)N1CCOCC1)NC1CC[NH+](Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 O=C(CCC(=O)N1CCOCC1)NC1CC[NH+](CC1)[*:1]
O=C(CCC(=O)N1CCOCC1)NC1CC[NH+](Cc2ccccn2)CC1 O=C(N1CCOCC1)[*:1] O=C(CC[*:1])NC1CC[NH+](CC1)Cc1ccccn1
O=C(CCC(=O)N1CCOCC1)NC1CC[NH+](Cc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(CCC(=O)N1CCOCC1)NC1CC[NH+](CC1)C[*:1]
O=C(Cc1ccccc1Cl)N1CC[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1Cl)N1CC[C@@H](C1)[*:1]
O=C(Cc1ccccc1Cl)N1CC[C@@H](c2ccccc2)C1 Clc1ccccc1[*:1] O=C(C[*:1])N1CC[C@H](C1)c1ccccc1
C[C@H](CNc1cc(Br)cc(F)c1C(N)=O)C[C@@H](C)O NC(=O)[*:1] C[C@H](CNc1cc(Br)cc(F)c1[*:1])C[C@@H](C)O
C[C@H](CNc1cc(Br)cc(F)c1C(N)=O)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNc1cc(Br)cc(F)c1C(N)=O)C[*:1]
C[C@H](CNc1cc(Br)cc(F)c1C(N)=O)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNc1cc(Br)cc(F)c1C(N)=O)[*:1]
CC(C)N1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2)C1 CC(C)[*:1] O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c2NCN(Cc21)[*:1]
CC(C)N1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC(C)N1CNc2c(C1)c(=O)[nH]c(=O)n2[*:1]
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1 COC(=O)[*:1] Cc1ccc2c(c[nH]c2c1)C(=O)/C(C#N)=C\c1ccc(cc1)[*:1]
COc1cc(OC)cc([C@@H]2CCN(C(=O)NCc3ccsc3)C2)c1 c1cc(cs1)[*:1] COc1cc(cc(c1)[C@@H]1CCN(C1)C(=O)NC[*:1])OC
COc1cc(OC)cc([C@@H]2CCN(C(=O)NCc3ccsc3)C2)c1 c1cc(cs1)C[*:1] COc1cc(cc(c1)[C@@H]1CCN(C1)C(=O)N[*:1])OC
COc1ccccc1/C=C/C(=O)OCC(=O)c1ccc2c(c1)OCCO2 COc1ccccc1[*:1] O=C(C=C[*:1])OCC(=O)c1ccc2OCCOc2c1
CC[C@@H](C)C(=O)[C@@](C)(CC)[NH+](C)C CC[C@@H](C)[*:1] CC[C@](C)(C(=O)[*:1])[NH+](C)C
CC(C)Cn1ccnc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1=O CC(C)C[*:1] O=c1c(nccn1[*:1])N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1
CC(C)Cn1ccnc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1=O CC(C)[*:1] O=c1c(nccn1C[*:1])N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1
CC(C)Cn1ccnc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] CC(C)Cn1ccnc(N[C@@H]2CCO[C@H]2[*:1])c1=O
Cc1nc2ccccn2c1C(=O)NCC(C)C CC(C)[*:1] Cc1nc2ccccn2c1C(=O)NC[*:1]
Cc1nc2ccccn2c1C(=O)NCC(C)C CC(C)C[*:1] Cc1nc2ccccn2c1C(=O)N[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)NC2[NH+]=c3ccccc3=[NH+]2)C12CCCC2 COCC[*:1] O=C(NC1[NH+]=c2ccccc2=[NH+]1)[C@H]1c2ccccc2C(=O)N(C12CCCC2)[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)NC2[NH+]=c3ccccc3=[NH+]2)C12CCCC2 COC[*:1] O=C(NC1[NH+]=c2ccccc2=[NH+]1)[C@H]1c2ccccc2C(=O)N(C[*:1])C12CCCC2
CC(C)(C(=O)OCCNc1cccnn1)c1ccc(Br)cc1 c1cnnc(c1)N[*:1] CC(C)(C(=O)OCC[*:1])c1ccc(Br)cc1
CC(C)(C(=O)OCCNc1cccnn1)c1ccc(Br)cc1 c1cnnc(c1)[*:1] CC(C)(C(=O)OCCN[*:1])c1ccc(Br)cc1
CC(C)(C(=O)OCCNc1cccnn1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)(C(=O)OCCNc1cccnn1)[*:1]
CN1C(=O)c2cccc3cc(S(=O)(=O)NCCCO)cc(c23)C1=O OCC[*:1] CN1C(=O)c2cccc3cc(cc(C1=O)c23)S(=O)(=O)NC[*:1]
CN1C(=O)c2cccc3cc(S(=O)(=O)NCCCO)cc(c23)C1=O OCCC[*:1] CN1C(=O)c2cccc3cc(cc(C1=O)c23)S(=O)(=O)N[*:1]
CN1C(=O)c2cccc3cc(S(=O)(=O)NCCCO)cc(c23)C1=O O=S(=O)(NCCCO)[*:1] CN1C(=O)c2cccc3cc(cc(C1=O)c23)[*:1]
CC[C@@H](C)C[NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 CC[C@@H](C)[*:1] C[C@@]1(NC(=O)NC1=O)c1ccc(cc1)C[NH2+]C[*:1]
CCOC(=O)c1ccccc1NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] CCOC(=O)c1ccccc1NC(=O)[*:1]
CCOC(=O)c1ccccc1NC(=O)C1CCCCC1 CCOC(=O)[*:1] O=C(Nc1ccccc1[*:1])C1CCCCC1
Cc1ccc2c(c1)CCN2C(=O)Cc1cc(C)on1 Cc1cc(no1)[*:1] Cc1ccc2c(c1)CCN2C(=O)C[*:1]
COC[C@H](C)Cc1nc(C(C)C)n[nH]1 CC(C)[*:1] COC[C@H](C)Cc1nc(n[nH]1)[*:1]
COC[C@H](C)Cc1nc(C(C)C)n[nH]1 COC[*:1] CC(C)c1n[nH]c(C[C@@H](C)[*:1])n1
Cc1cccc([C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@H]([NH2+]Cc1ccc(cc1)[S@](C)=O)[*:1]
Cc1cccc([C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C(C)(C)C)c1 Cc1cccc(c1)[*:1] C[S@](=O)c1ccc(cc1)C[NH2+][C@H](C(C)(C)C)[*:1]
Cc1cccc([C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C(C)(C)C)c1 C[S@](=O)[*:1] Cc1cccc(c1)[C@H]([NH2+]Cc1ccc(cc1)[*:1])C(C)(C)C
O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccccn1 O=C1CCCN1[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccccn1
O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)N[*:1]
Cc1cc(N[C@H](C)C(=O)N(C)Cc2ccccc2)ccc1Br c1ccc(cc1)C[*:1] Cc1cc(ccc1Br)N[C@H](C)C(=O)N(C)[*:1]
Cc1cc(N[C@H](C)C(=O)N(C)Cc2ccccc2)ccc1Br c1ccc(cc1)[*:1] Cc1cc(ccc1Br)N[C@H](C)C(=O)N(C)C[*:1]
COC(=O)CCNC(=O)c1ccsc1-n1c(C)ccc1C COC(=O)C[*:1] Cc1ccc(C)n1-c1sccc1C(=O)NC[*:1]
COC(=O)CCNC(=O)c1ccsc1-n1c(C)ccc1C COC(=O)[*:1] Cc1ccc(C)n1-c1sccc1C(=O)NCC[*:1]
COC(=O)CCNC(=O)c1ccsc1-n1c(C)ccc1C COC(=O)CC[*:1] Cc1ccc(C)n1-c1sccc1C(=O)N[*:1]
COC(=O)CCNC(=O)c1ccsc1-n1c(C)ccc1C Cc1ccc(C)n1[*:1] COC(=O)CCNC(=O)c1ccsc1[*:1]
CCNc1nnc(SCc2cc(-c3ccccc3OC)no2)s1 CCN[*:1] COc1ccccc1-c1cc(CSc2nnc(s2)[*:1])on1
N#C[C@@H](OC(=O)c1cnc2ccccn2c1=O)C1CC1 C1CC1[*:1] N#C[C@@H](OC(=O)c1cnc2ccccn2c1=O)[*:1]
Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2ccc3c(c2)C(=O)NC3=O)o1 Cc1ccc(o1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Nc1ccc2C(=O)NC(=O)c2c1
Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2ccc3c(c2)C(=O)NC3=O)o1 Cc1ccc(C[*:1])o1 C[NH+](C)CCN(C(=O)Nc1ccc2C(=O)NC(=O)c2c1)[*:1]
COC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1cccs1 c1csc(c1)[*:1] COC(=O)C1=C(CN2CCC(CC2)(C(N)=O)[NH+]2CCCCC2)NC(=O)N[C@@H]1[*:1]
COC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1cccs1 COC(=O)[*:1] NC(=O)C1(CCN(CC1)CC1NC(=O)N[C@H](C=1[*:1])c1cccs1)[NH+]1CCCCC1
COC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1cccs1 NC(=O)[*:1] COC(=O)C1=C(CN2CCC(CC2)([NH+]2CCCCC2)[*:1])NC(=O)N[C@H]1c1cccs1
Cc1nc(Nc2ncnc(Sc3cccc4cccnc34)c2N)sc1C Cc1nc(N[*:1])sc1C Nc1c(ncnc1[*:1])Sc1cccc2cccnc12
Cc1nc(Nc2ncnc(Sc3cccc4cccnc34)c2N)sc1C Cc1nc(sc1C)[*:1] Nc1c(ncnc1Sc1cccc2cccnc12)N[*:1]
COc1cc2c(cc1OC)[C@H](c1c([O-])n(-c3ccccc3Cl)c(=O)[nH]c1=O)[NH2+]CC2 Clc1ccccc1[*:1] COc1cc2CC[NH2+][C@H](c2cc1OC)c1c([O-])n(c(=O)[nH]c1=O)[*:1]
O=C(COc1ccccc1F)NCc1cc(Cl)c2c(c1)OCCCO2 Fc1ccccc1O[*:1] O=C(C[*:1])NCc1cc(Cl)c2OCCCOc2c1
O=C(COc1ccccc1F)NCc1cc(Cl)c2c(c1)OCCCO2 Fc1ccccc1[*:1] O=C(CO[*:1])NCc1cc(Cl)c2OCCCOc2c1
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)c(C)c1 CC(C)NC(=O)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccccc1[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)NC(=O)c1ccccc1NS(=O)(=O)[*:1]
[NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)O1 FC(F)(F)[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2ccoc2)C1 c1ccc(cc1)[*:1] CC1(C)Cc2c(cnn2[*:1])[C@H](C1)NC(=O)c1ccoc1
CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2ccoc2)C1 c1cc(co1)[*:1] CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](C1)NC(=O)[*:1]
CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2ccoc2)C1 O=C(N[*:1])c1ccoc1 CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](C1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)CNc1c(F)cc(F)cc1F c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)CNc1c(F)cc(F)cc1F)[*:1]
O=C(Cc1noc2ccccc12)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 c1ccc2c(noc2c1)[*:1] O=C(C[*:1])Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2
CCOCc1ccccc1Cn1c(=O)[nH]c2ccccc2c1=O CCOC[*:1] O=c1[nH]c2ccccc2c(=O)n1Cc1ccccc1[*:1]
CCOCc1ccccc1Cn1c(=O)[nH]c2ccccc2c1=O CCO[*:1] O=c1[nH]c2ccccc2c(=O)n1Cc1ccccc1C[*:1]
O=C(COc1ccc(Cl)cc1)NC1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 Clc1ccc(cc1)OC[*:1] O=C(NC1CC1)c1cn(nn1)C1CCC(CC1)NC(=O)[*:1]
O=C(COc1ccc(Cl)cc1)NC1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])NC1CCC(CC1)n1cc(nn1)C(=O)NC1CC1
O=C(COc1ccc(Cl)cc1)NC1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 O=C(NC1CC1)[*:1] O=C(COc1ccc(Cl)cc1)NC1CCC(CC1)n1cc(nn1)[*:1]
O=C(COc1ccc(Cl)cc1)NC1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])NC1CCC(CC1)n1cc(nn1)C(=O)NC1CC1
O=C(COc1ccc(Cl)cc1)NC1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 C1CC1[*:1] O=C(COc1ccc(Cl)cc1)NC1CCC(CC1)n1cc(nn1)C(=O)N[*:1]
O=C1O[C@@H]2C[C@H]1N(S(=O)(=O)c1cccs1)C2 c1csc(c1)[*:1] O=C1O[C@@H]2C[C@H]1N(C2)S(=O)(=O)[*:1]
N#CCn1c(-c2ccc([N+](=O)[O-])cc2)noc1=O O=[N+]([O-])[*:1] N#CCn1c(noc1=O)-c1ccc(cc1)[*:1]
N#CCn1c(-c2ccc([N+](=O)[O-])cc2)noc1=O N#CC[*:1] O=c1onc(-c2ccc(cc2)[N+](=O)[O-])n1[*:1]
CCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1C(C)C CCC[*:1] CC(C)c1nnc(SCC(=O)Nc2ccc3OCCOc3c2)n1[*:1]
CCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1C(C)C CC(C)[*:1] CCCn1c(nnc1[*:1])SCC(=O)Nc1ccc2OCCOc2c1
COc1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1OC C1CCN(CC1)[*:1] COc1ccc(cc1OC)NC(=O)Nc1cc2c(cc1[*:1])n(C)c(=O)n2C
COc1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1OC COc1ccc(cc1OC)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)N[*:1])N1CCCCC1
CN(C(=S)NC(=O)c1ccc(Cl)cc1)c1ccccc1C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] CN(C(=S)NC(=O)c1ccc(Cl)cc1)c1ccccc1[*:1]
CN(C(=S)NC(=O)c1ccc(Cl)cc1)c1ccccc1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CN(C(=S)NC(=O)c1ccc(Cl)cc1)c1ccccc1C(=O)N[*:1]
CN(C(=S)NC(=O)c1ccc(Cl)cc1)c1ccccc1C(=O)NC1CCCCC1 Clc1ccc(cc1)[*:1] CN(C(=S)NC(=O)[*:1])c1ccccc1C(=O)NC1CCCCC1
CN(C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCOCC1 FC(F)(F)[*:1] CN(C(=O)[C@@H]1C[C@@H]1c1ccc(cc1)[*:1])C1CCOCC1
CN(C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)[C@@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F)[*:1]
Cc1ccc(-c2nnc([C@H]3CCCN3S(=O)(=O)c3cnn(C)c3C)o2)cn1 Cc1ccc(cn1)[*:1] Cc1c(cnn1C)S(=O)(=O)N1CCC[C@@H]1c1nnc(o1)[*:1]
Cc1ccc(-c2nnc([C@H]3CCCN3S(=O)(=O)c3cnn(C)c3C)o2)cn1 Cc1c(cnn1C)[*:1] Cc1ccc(cn1)-c1nnc(o1)[C@H]1CCCN1S(=O)(=O)[*:1]
N#CCC[C@H](C#N)CN1CCc2c(cccc2N2CCOC2=O)C1 N#CCC[*:1] N#C[C@H](CN1CCc2c(cccc2N2CCOC2=O)C1)[*:1]
N#CCC[C@H](C#N)CN1CCc2c(cccc2N2CCOC2=O)C1 O=C1OCCN1[*:1] N#CCC[C@H](C#N)CN1CCc2c(cccc2[*:1])C1
N#CCC[C@H](C#N)CN1CCc2c(cccc2N2CCOC2=O)C1 N#CC[*:1] N#C[C@H](CN1CCc2c(cccc2N2CCOC2=O)C1)C[*:1]
COc1cccc(NC(=O)CSCc2nc(-c3ccc(C)cc3)no2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-c1noc(CSCC(=O)N[*:1])n1
COc1cccc(NC(=O)CSCc2nc(-c3ccc(C)cc3)no2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CSCc1nc(no1)[*:1]
O=C(NCCc1nc2ccccc2n1Cc1ccc2ccccc2c1)[C@H]1CCCO1 c1ccc2cc(ccc2c1)[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])[C@H]1CCCO1
C=CC[C@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 C=CC[*:1] Clc1ccc(cc1)-n1nnnc1S[C@H](c1ccccc1)[*:1]
C=CC[C@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] C=CC[C@H](Sc1nnnn1-c1ccc(Cl)cc1)[*:1]
C=CC[C@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] C=CC[C@H](Sc1nnnn1[*:1])c1ccccc1
O=[N+]([O-])c1cc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)ccc1[O-] O=[N+]([O-])[*:1] [O-]c1ccc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc1[*:1]
CCCNC(=O)C[C@@H](C[NH3+])N1CC[NH+](C(C)(C)C)CC1 CCCNC(=O)[*:1] CC(C)(C)[NH+]1CCN(CC1)[C@H](C[NH3+])C[*:1]
CCCNC(=O)C[C@@H](C[NH3+])N1CC[NH+](C(C)(C)C)CC1 CCC[*:1] CC(C)(C)[NH+]1CCN(CC1)[C@H](C[NH3+])CC(=O)N[*:1]
CCCNC(=O)C[C@@H](C[NH3+])N1CC[NH+](C(C)(C)C)CC1 CC(C)(C)[*:1] CCCNC(=O)C[C@@H](C[NH3+])N1CC[NH+](CC1)[*:1]
CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH+]1CCCC1)CC2 C1CCC(CC1)[*:1] CNC(=O)c1nn(C[*:1])c2CC[C@@H](Cc12)[NH+]1CCCC1
CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH+]1CCCC1)CC2 C1CCC(CC1)C[*:1] CNC(=O)c1nn(c2CC[C@@H](Cc12)[NH+]1CCCC1)[*:1]
CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH+]1CCCC1)CC2 CNC(=O)[*:1] C1CCC(CC1)Cn1nc(c2C[C@H](CCc21)[NH+]1CCCC1)[*:1]
Cc1cc(C)nc(/N=C2\N=C(O)C[C@@H](C(=O)[O-])N2c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] Cc1cc(C)nc(/N=C2\N=C(O)C[C@@H](C(=O)[O-])N2[*:1])n1
Cc1cc(C)nc(/N=C2\N=C(O)C[C@@H](C(=O)[O-])N2c2cccc(Cl)c2)n1 O=C([O-])[*:1] Cc1cc(C)nc(/N=C2\N=C(O)C[C@@H](N2c2cccc(Cl)c2)[*:1])n1
Cc1cc(C)nc(/N=C2\N=C(O)C[C@@H](C(=O)[O-])N2c2cccc(Cl)c2)n1 Cc1cc(C)nc(n1)[*:1] O=C([O-])[C@@H]1CC(O)=NC(=N[*:1])N1c1cccc(Cl)c1
CCCC(=O)N(CCOC)Cc1ccc(C#N)cc1 COC[*:1] CCCC(=O)N(Cc1ccc(C#N)cc1)C[*:1]
CCCC(=O)N(CCOC)Cc1ccc(C#N)cc1 CCC[*:1] COCCN(Cc1ccc(C#N)cc1)C(=O)[*:1]
CCCC(=O)N(CCOC)Cc1ccc(C#N)cc1 COCC[*:1] CCCC(=O)N(Cc1ccc(C#N)cc1)[*:1]
O=C(NCc1ccccc1OCC(F)(F)F)Nc1c(F)cccc1F FC(F)(F)CO[*:1] O=C(NCc1ccccc1[*:1])Nc1c(F)cccc1F
O=C(NCc1ccccc1OCC(F)(F)F)Nc1c(F)cccc1F FC(F)(F)C[*:1] O=C(NCc1ccccc1O[*:1])Nc1c(F)cccc1F
O=C(NCc1ccccc1OCC(F)(F)F)Nc1c(F)cccc1F FC(F)(F)[*:1] O=C(NCc1ccccc1OC[*:1])Nc1c(F)cccc1F
O=C(NCc1ccccc1OCC(F)(F)F)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(NCc1ccccc1OCC(F)(F)F)N[*:1]
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)[C@@H]1C CN(C)C(=O)[*:1] C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccnc(c2)[*:1])[C@@H]1C
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccco4)o3)CC2)cc1 c1coc(c1)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nnc(o1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccco4)o3)CC2)cc1 CC(C)(C)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC(CC1)c1nnc(o1)-c1ccco1
[NH3+]C[C@H](Cc1ccccc1)Cc1ccc(O)cc1 c1ccc(cc1)[*:1] [NH3+]C[C@@H](Cc1ccc(O)cc1)C[*:1]
CCc1nn(C)cc1CNc1cccc(-c2nc(C)cs2)c1 Cc1csc(n1)[*:1] CCc1nn(C)cc1CNc1cccc(c1)[*:1]
Cc1noc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 Fc1ccc(cc1)[*:1] Cc1noc(n1)-c1ccc(cc1)NC(=O)[*:1]
Cc1noc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 Cc1noc(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(F)cc1
CCc1nn(C)cc1C[NH2+][C@H](CC)COC COC[*:1] CCc1nn(C)cc1C[NH2+][C@H](CC)[*:1]
Cc1ccc(C(=O)N2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(C)cc1[*:1]
CC(C)(C)[C@](O)(Cn1cncn1)[C@H]1O[C@@H]1c1ccc(Cl)cc1 c1ncn(n1)[*:1] CC(C)(C)[C@](O)(C[*:1])[C@H]1O[C@@H]1c1ccc(Cl)cc1
CC(C)(C)[C@](O)(Cn1cncn1)[C@H]1O[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C)[C@](O)(Cn1cncn1)[C@H]1O[C@H]1[*:1]
CC(C)(C)[C@](O)(Cn1cncn1)[C@H]1O[C@@H]1c1ccc(Cl)cc1 c1ncn(C[*:1])n1 CC(C)(C)[C@](O)([C@H]1O[C@@H]1c1ccc(Cl)cc1)[*:1]
CC(C)(C)[C@](O)(Cn1cncn1)[C@H]1O[C@@H]1c1ccc(Cl)cc1 CC(C)(C)[*:1] O[C@](Cn1cncn1)([C@H]1O[C@@H]1c1ccc(Cl)cc1)[*:1]
COC[C@@H](NC(=O)Nc1cccc(C)c1)c1ccc(F)c(F)c1 Cc1cccc(c1)[*:1] COC[C@@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)Nc1cccc(C)c1)c1ccc(F)c(F)c1 COC[*:1] Cc1cccc(c1)NC(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)[*:1]
CC(C)(C)OC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1 CC(C)(C)OC(=O)[*:1] O=S(=O)(c1ccccc1)N(C[*:1])c1nccs1
CC(C)(C)OC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1 CC(C)(C)[*:1] O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)O[*:1]
CC(C)(C)OC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1 c1csc(n1)[*:1] CC(C)(C)OC(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
CC(C)(C)OC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)CN(c1nccs1)S(=O)(=O)[*:1]
COc1cccc(N2C(=O)c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3C2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)N[C@H](C)[*:1]
COc1cccc(N2C(=O)c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3C2=O)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])c1ccccc1
COc1cccc(N2C(=O)c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3C2=O)c1 C[C@H](c1ccccc1)[*:1] COc1cccc(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
C[C@@H]1CCC[C@@H](Oc2c(F)cc(CC[NH3+])cc2F)C1 [NH3+]CC[*:1] C[C@@H]1CCC[C@H](C1)Oc1c(F)cc(cc1F)[*:1]
NC1=NC(=O)N(CC2CC2)[C@H]1c1ccc2ncccc2c1 C1CC1[*:1] NC1=NC(=O)N(C[*:1])[C@H]1c1ccc2ncccc2c1
NC1=NC(=O)N(CC2CC2)[C@H]1c1ccc2ncccc2c1 C1CC1C[*:1] NC1=NC(=O)N([C@H]1c1ccc2ncccc2c1)[*:1]
CCN(CC)[C@H](C(=O)Oc1ccc2nccnc2c1)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)[C@H](C(=O)Oc1ccc2nccnc2c1)[*:1]
CCN(CC)[C@H](C(=O)Oc1ccc2nccnc2c1)c1ccccc1 CCN(CC)[*:1] O=C(Oc1ccc2nccnc2c1)[C@H](c1ccccc1)[*:1]
Cc1ccccc1C1(C(=O)NCCCc2c(C)noc2C)CCCCC1 Cc1noc(C)c1[*:1] Cc1ccccc1C1(CCCCC1)C(=O)NCCC[*:1]
Cc1ccccc1C1(C(=O)NCCCc2c(C)noc2C)CCCCC1 Cc1noc(C)c1C[*:1] Cc1ccccc1C1(CCCCC1)C(=O)NCC[*:1]
Cc1ccccc1C1(C(=O)NCCCc2c(C)noc2C)CCCCC1 Cc1ccccc1[*:1] Cc1noc(C)c1CCCNC(=O)C1(CCCCC1)[*:1]
O=C(NCC1CCN(c2nc3ccccc3o2)CC1)C1(c2ccc(F)cc2)CCOCC1 Fc1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)c1nc2ccccc2o1)C1(CCOCC1)[*:1]
O=C(NCC1CCN(c2nc3ccccc3o2)CC1)C1(c2ccc(F)cc2)CCOCC1 c1ccc2oc(nc2c1)[*:1] O=C(NCC1CCN(CC1)[*:1])C1(CCOCC1)c1ccc(F)cc1
CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C#N)cc1 N#Cc1ccccc1[*:1] CC[C@H](C)Oc1ccc(cc1)C(=O)NC(=S)N[*:1]
CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C#N)cc1 CC[C@H](C)O[*:1] N#Cc1ccccc1NC(=S)NC(=O)c1ccc(cc1)[*:1]
Cc1csc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)n1 O=C1CCCN1[*:1] Cc1csc(CNC(=O)Cc2ccc(cc2)[*:1])n1
Cc1csc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)n1 Cc1csc(n1)[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)NC[*:1]
Cc1csc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)n1 Cc1csc(C[*:1])n1 O=C(Cc1ccc(cc1)N1CCCC1=O)N[*:1]
Cc1cccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccco3)cc2)c1C Cc1cccc(c1C)[*:1] O=C(/C=C/c1ccco1)Nc1ccc(cc1)C(=O)N[*:1]
Cc1cccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccco3)cc2)c1C C(=C[*:1])c1ccco1 Cc1cccc(NC(=O)c2ccc(cc2)NC(=O)[*:1])c1C
Cc1cccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccco3)cc2)c1C c1coc(c1)[*:1] Cc1cccc(NC(=O)c2ccc(cc2)NC(=O)C=C[*:1])c1C
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(Br)c2)NC(=S)N1 Brc1cccc(c1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1ccccc1C)[*:1]
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(Br)c2)NC(=S)N1 Cc1ccccc1[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1cccc(Br)c1
CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCN(c5cccc[nH+]5)CC4)CC3)c(C)o2)cc1 CCc1ccc(cc1)[*:1] Cc1oc(nc1C[NH+]1CCC(CC1)C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(Cl)c1Cl CNC(=O)[C@H](C)[*:1] CN(C[*:1])C(=O)c1cccc(Cl)c1Cl
CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(Cl)c1Cl CNC(=O)[*:1] C[C@H](CN(C)C(=O)c1cccc(Cl)c1Cl)[*:1]
COc1cccc(C[NH2+]Cc2cccn2-c2nnc(N3CCC(C)CC3)s2)c1 COc1cccc(c1)[*:1] CC1CCN(CC1)c1nnc(s1)-n1cccc1C[NH2+]C[*:1]
COc1cccc(C[NH2+]Cc2cccn2-c2nnc(N3CCC(C)CC3)s2)c1 CC1CCN(CC1)[*:1] COc1cccc(c1)C[NH2+]Cc1cccn1-c1nnc(s1)[*:1]
COc1cccc(C[NH2+]Cc2cccn2-c2nnc(N3CCC(C)CC3)s2)c1 COc1cccc(c1)C[*:1] CC1CCN(CC1)c1nnc(s1)-n1cccc1C[NH2+][*:1]
O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CSc1nc(cs1)-c1ccc(F)cc1)N[*:1]
O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccccc1F Fc1ccc(cc1)[*:1] O=C(CSc1nc(cs1)[*:1])Nc1ccccc1F
N#CCSc1nc(-c2ccco2)c2c(c1C#N)CCC2 N#CCS[*:1] N#Cc1c(nc(-c2ccco2)c2CCCc12)[*:1]
N#CCSc1nc(-c2ccco2)c2c(c1C#N)CCC2 N#CC[*:1] N#Cc1c(nc(-c2ccco2)c2CCCc12)S[*:1]
N#CCSc1nc(-c2ccco2)c2c(c1C#N)CCC2 c1coc(c1)[*:1] N#CCSc1nc(c2CCCc2c1C#N)[*:1]
CCNC(=O)NC(=O)[C@@H](Sc1nnnn1C1CCCC1)c1ccccc1 C1CCC(C1)[*:1] CCNC(=O)NC(=O)[C@@H](Sc1nnnn1[*:1])c1ccccc1
CCNC(=O)NC(=O)[C@@H](Sc1nnnn1C1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)[C@@H](Sc1nnnn1C1CCCC1)[*:1]
CCNC(=O)NC(=O)[C@@H](Sc1nnnn1C1CCCC1)c1ccccc1 CCNC(=O)NC(=O)[*:1] c1ccc(cc1)[C@H](Sc1nnnn1C1CCCC1)[*:1]
Cc1cccc(NC2CCN(C(=O)[C@H]3COc4ccc(F)cc4C3)CC2)c1 Cc1cccc(c1)N[*:1] O=C([C@H]1COc2ccc(F)cc2C1)N1CCC(CC1)[*:1]
Cc1cccc(NC2CCN(C(=O)[C@H]3COc4ccc(F)cc4C3)CC2)c1 Cc1cccc(c1)[*:1] O=C([C@H]1COc2ccc(F)cc2C1)N1CCC(CC1)N[*:1]
O=c1ccc([N+](=O)[O-])cn1CCN(CC(F)(F)F)C1CCC1 O=[N+]([O-])[*:1] O=c1ccc(cn1CCN(CC(F)(F)F)C1CCC1)[*:1]
O=c1ccc([N+](=O)[O-])cn1CCN(CC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] O=c1ccc(cn1CCN(C1CCC1)[*:1])[N+](=O)[O-]
O=c1ccc([N+](=O)[O-])cn1CCN(CC(F)(F)F)C1CCC1 C1CC(C1)[*:1] O=c1ccc(cn1CCN(CC(F)(F)F)[*:1])[N+](=O)[O-]
O=c1ccc([N+](=O)[O-])cn1CCN(CC(F)(F)F)C1CCC1 FC(F)(F)[*:1] O=c1ccc(cn1CCN(C[*:1])C1CCC1)[N+](=O)[O-]
CC(C)[C@H](NC(=O)CCNS(C)(=O)=O)c1ccccc1 CS(=O)(=O)NC[*:1] CC(C)[C@H](NC(=O)C[*:1])c1ccccc1
CC(C)[C@H](NC(=O)CCNS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)CCNS(C)(=O)=O)[*:1]
CC(C)[C@H](NC(=O)CCNS(C)(=O)=O)c1ccccc1 CC(C)[*:1] CS(=O)(=O)NCCC(=O)N[C@H](c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)CCNS(C)(=O)=O)c1ccccc1 CS(=O)(=O)N[*:1] CC(C)[C@H](NC(=O)CC[*:1])c1ccccc1
COc1ccc(-c2nc(Cn3cnc(C(C)=O)n3)c(C)o2)c(F)c1 CC(=O)[*:1] COc1ccc(-c2nc(Cn3cnc(n3)[*:1])c(C)o2)c(F)c1
COc1ccc(-c2nc(Cn3cnc(C(C)=O)n3)c(C)o2)c(F)c1 CC(=O)c1ncn(n1)[*:1] COc1ccc(-c2nc(C[*:1])c(C)o2)c(F)c1
Cc1cc(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])c2ccccc2n1 O=[N+]([O-])[*:1] Cc1cc(C(=O)Oc2cc(F)ccc2[*:1])c2ccccc2n1
C#CCCN1CCN(C(=O)c2nn(-c3ccccc3)cc2OC)CC1 C#CCC[*:1] COc1cn(nc1C(=O)N1CCN(CC1)[*:1])-c1ccccc1
C#CCCN1CCN(C(=O)c2nn(-c3ccccc3)cc2OC)CC1 C#CC[*:1] COc1cn(nc1C(=O)N1CCN(CC1)C[*:1])-c1ccccc1
C#CCCN1CCN(C(=O)c2nn(-c3ccccc3)cc2OC)CC1 c1ccc(cc1)[*:1] C#CCCN1CCN(CC1)C(=O)c1nn(cc1OC)[*:1]
CC(C)Cn1cc(NC(=O)CCN2CCCC2=O)cn1 CC(C)[*:1] O=C(CCN1CCCC1=O)Nc1cnn(c1)C[*:1]
CC(C)Cn1cc(NC(=O)CCN2CCCC2=O)cn1 O=C1CCCN1[*:1] CC(C)Cn1cc(cn1)NC(=O)CC[*:1]
CC(C)Cn1cc(NC(=O)CCN2CCCC2=O)cn1 CC(C)C[*:1] O=C(CCN1CCCC1=O)Nc1cnn(c1)[*:1]
COC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(N)=O O=[N+]([O-])[*:1] COC[C@H](NC(=O)/C=C/c1ccccc1[*:1])C(N)=O
COC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(N)=O COC[C@H](C(N)=O)[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])N[*:1]
COC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(N)=O COC[*:1] NC(=O)[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[*:1]
COC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)N1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)C(F)(F)F)N1CCC(CC1)[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)N1CCC(c2ccccc2)CC1 FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])N1CCC(CC1)c1ccccc1
c1cnc(NCCc2cccc3cccnc23)nc1 c1cnc(nc1)[*:1] c1cnc2c(cccc2c1)CCN[*:1]
CN(Cc1ccc(Cl)s1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 Clc1ccc(s1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)[N-]S(C)(=O)=O
CN(Cc1ccc(Cl)s1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 Clc1ccc(C[*:1])s1 CN(C(=O)c1ccc(cc1)[N-]S(C)(=O)=O)[*:1]
Cc1cc(C)c(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)[nH]1 O=C1NC(=O)[C@H](C[*:1])N1 Cc1cc(C)c([nH]1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C)c(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)[nH]1 Cc1cc(C)c([nH]1)[*:1] O=C1NC(=O)[C@H](Cc2ccc(cc2)NC(=O)[*:1])N1
CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 c1ccn2cc(C[*:1])nc2c1 CCN(Cc1ccc2OCOc2c1)C(=O)c1cccc(c1)O[*:1]
CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 c1cc2OCOc2cc1[*:1] CCN(C[*:1])C(=O)c1cccc(c1)OCc1cn2ccccc2n1
CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 c1ccn2cc(nc2c1)[*:1] CCN(Cc1ccc2OCOc2c1)C(=O)c1cccc(c1)OC[*:1]
CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 c1cc2OCOc2cc1C[*:1] CCN(C(=O)c1cccc(c1)OCc1cn2ccccc2n1)[*:1]
CSC[n+]1cccc2ccccc21 CSC[*:1] c1ccc2c(c1)ccc[n+]2[*:1]
CCC[C@@H](C(=O)Nc1c[nH]cc(Br)c1=O)[NH+](C)C CCC[*:1] C[NH+](C)[C@H](C(=O)Nc1c[nH]cc(Br)c1=O)[*:1]
CCOc1ccccc1NS(=O)(=O)c1cc(C)cc(N)c1 CCO[*:1] Cc1cc(N)cc(c1)S(=O)(=O)Nc1ccccc1[*:1]
Cc1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)c(C)c1 Fc1cccc(c1)[*:1] Cc1ccc(C(=O)NC2(CCOCC2)[*:1])c(C)c1
Cc1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NC1(CCOCC1)c1cccc(F)c1)[*:1]
Cc1ccn(CC/N=c2\c(O)c(O)c2=[N+]2CCN(C)CC2)n1 Cc1ccn(n1)[*:1] CN1CC[N+](CC1)=c1c(O)c(O)/c1=N\CC[*:1]
Cc1ccn(CC/N=c2\c(O)c(O)c2=[N+]2CCN(C)CC2)n1 Cc1ccn(C[*:1])n1 CN1CC[N+](CC1)=c1c(O)c(O)/c1=N\C[*:1]
Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)n1[C@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] Cc1cc(C(=O)COc2cc(F)ccc2[*:1])c(C)n1[C@H]1CCS(=O)(=O)C1
C[C@H](C(=O)N1CCN(c2ccc(Cl)cc2)CC1)N1C(=O)c2ccccc2C1=O Clc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCN(CC1)[*:1])N1C(=O)c2ccccc2C1=O
Cc1nnc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)n(N)c1=O c1csc(c1)C[*:1] Cc1nnc(SCC(=O)c2cc(C)n(c2C)[*:1])n(N)c1=O
Cc1nnc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)n(N)c1=O c1csc(c1)[*:1] Cc1nnc(SCC(=O)c2cc(C)n(C[*:1])c2C)n(N)c1=O
COc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCN3C(C)=O)cc1Cl COc1ccc(cc1Cl)[*:1] CC(=O)N1CCc2cc(ccc21)N[C@@H](C)C(=O)N[*:1]
CC[C@]1(C)NC(=O)CCN(C[C@]2(C)CCCO2)C1=O C[C@@]1(CCCO1)[*:1] CC[C@]1(C)NC(=O)CCN(C[*:1])C1=O
Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2cccnc2)no1 Cc1cc(no1)[*:1] O=C1c2oc3c(ccc4ccccc43)c(=O)c2[C@H](c2cccnc2)N1[*:1]
Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2cccnc2)no1 c1cncc(c1)[*:1] Cc1cc(no1)N1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@H]1[*:1]
CCN(Cc1ccco1)C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] CCN(Cc1ccco1)C(=O)N[*:1]
CCN(Cc1ccco1)C(=O)Nc1ccncc1 c1coc(c1)[*:1] CCN(C[*:1])C(=O)Nc1ccncc1
CCN(Cc1ccco1)C(=O)Nc1ccncc1 c1coc(c1)C[*:1] CCN(C(=O)Nc1ccncc1)[*:1]
COc1ccc(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)SCC(=O)N[C@@H](C)[*:1]
CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1Cl CNC(=O)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(C)c1cc(C(=O)NCC(C)(C)c2ccccc2F)on1 Fc1ccccc1[*:1] CC(C)c1cc(on1)C(=O)NCC(C)(C)[*:1]
CC(C)c1cc(C(=O)NCC(C)(C)c2ccccc2F)on1 CC(C)[*:1] CC(C)(CNC(=O)c1cc(no1)[*:1])c1ccccc1F
NC(=O)C1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)CC1 O=S(=O)(c1ccccc1)[*:1] NC(=O)C1CCN(CC1)c1c(cnc2ccc(Cl)cc12)[*:1]
NC(=O)C1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)CC1 NC(=O)C1CCN(CC1)[*:1] O=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2c1[*:1]
NC(=O)C1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)CC1 c1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)c1c(cnc2ccc(Cl)cc12)S(=O)(=O)[*:1]
NC(=O)C1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)CC1 NC(=O)[*:1] O=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2c1N1CCC(CC1)[*:1]
Cc1c([C@H](C)NC(=O)NCC(=O)NC2CC2)oc2ccccc12 C1CC1[*:1] Cc1c(oc2ccccc12)[C@H](C)NC(=O)NCC(=O)N[*:1]
Cc1c([C@H](C)NC(=O)NCC(=O)NC2CC2)oc2ccccc12 O=C(NC1CC1)[*:1] Cc1c(oc2ccccc12)[C@H](C)NC(=O)NC[*:1]
Cc1c([C@H](C)NC(=O)NCC(=O)NC2CC2)oc2ccccc12 O=C(C[*:1])NC1CC1 Cc1c(oc2ccccc12)[C@H](C)NC(=O)N[*:1]
CC(C)C(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 C1CC1[*:1] CC(C)C(=O)N1CCN(CC1)Cc1nc(cs1)[*:1]
CC(C)C(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 CC(C)[*:1] O=C(N1CCN(CC1)Cc1nc(cs1)C1CC1)[*:1]
C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(cc1)[*:1]
C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 CC(C)(C)C[*:1] C[C@@H]([NH2+][C@@H](CO)[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 CC(C)(C)[*:1] C[C@@H]([NH2+][C@@H](CO)C[*:1])c1ccc(cc1)S(C)(=O)=O
Cc1ccccc1-c1noc(=O)n1CC(=O)Nc1c(C)nn(C)c1C Cc1ccccc1[*:1] Cc1nn(C)c(C)c1NC(=O)Cn1c(noc1=O)[*:1]
Cc1ccccc1-c1noc(=O)n1CC(=O)Nc1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] Cc1ccccc1-c1noc(=O)n1CC(=O)N[*:1]
CC(=O)N[C@@H](C)C(=O)NCc1ccc2ccccc2c1 CC(=O)N[C@@H](C)[*:1] O=C(NCc1ccc2ccccc2c1)[*:1]
CC(=O)N[C@@H](C)C(=O)NCc1ccc2ccccc2c1 CC(=O)N[*:1] C[C@@H](C(=O)NCc1ccc2ccccc2c1)[*:1]
CC(=O)CCc1ccc(OCCC(=O)N2c3ccccc3C[C@@H]2C)cc1 CC(=O)C[*:1] C[C@H]1Cc2ccccc2N1C(=O)CCOc1ccc(cc1)C[*:1]
CC(=O)CCc1ccc(OCCC(=O)N2c3ccccc3C[C@@H]2C)cc1 CC(=O)[*:1] C[C@H]1Cc2ccccc2N1C(=O)CCOc1ccc(cc1)CC[*:1]
CC(=O)CCc1ccc(OCCC(=O)N2c3ccccc3C[C@@H]2C)cc1 CC(=O)CC[*:1] C[C@H]1Cc2ccccc2N1C(=O)CCOc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] CS(=O)(=O)[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)Nc1ccccc1[*:1]
O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cnc2ccccc2n1 C1CCC(CC1)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])c1cnc2ccccc2n1
CC1(CNC(=O)c2ncccc2C(F)(F)F)Cc2ccccc2C1 FC(F)(F)[*:1] CC1(CNC(=O)c2ncccc2[*:1])Cc2ccccc2C1
CCc1ccccc1NC(=O)C(=O)NCCCS(C)(=O)=O CS(=O)(=O)CCC[*:1] CCc1ccccc1NC(=O)C(=O)N[*:1]
CCc1ccccc1NC(=O)C(=O)NCCCS(C)(=O)=O CS(=O)(=O)C[*:1] CCc1ccccc1NC(=O)C(=O)NCC[*:1]
CCc1ccccc1NC(=O)C(=O)NCCCS(C)(=O)=O CS(=O)(=O)[*:1] CCc1ccccc1NC(=O)C(=O)NCCC[*:1]
CCc1ccccc1NC(=O)C(=O)NCCCS(C)(=O)=O CS(=O)(=O)CC[*:1] CCc1ccccc1NC(=O)C(=O)NC[*:1]
O=C(CN1CC[NH+](Cn2nc3sc4ccccc4n3c2=S)CC1)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] S=c1n(C[NH+]2CCN(CC2)C[*:1])nc2sc3ccccc3n12
O=C(CN1CC[NH+](Cn2nc3sc4ccccc4n3c2=S)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC1)Cn1nc2sc3ccccc3n2c1=S)NC[*:1]
O=C(CN1CC[NH+](Cn2nc3sc4ccccc4n3c2=S)CC1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CC[NH+](CC1)Cn1nc2sc3ccccc3n2c1=S)N[*:1]
O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(O)nc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)N[*:1])c1ccc(O)nc1
O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(O)nc1 c1ccc(cc1)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(O)nc1
O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(O)nc1 Oc1ccc(cn1)[*:1] O=C(Nc1ccc(cc1)Nc1ccccc1)[*:1]
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Br O=C([O-])[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccccc1Br)C[*:1]
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Br Brc1ccccc1[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])CC(=O)[O-]
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Br O=C([O-])C[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccccc1Br)[*:1]
Cc1cc([N+](=O)[O-])c(C)cc1Oc1cccc([C@@H](C)[NH3+])c1 O=[N+]([O-])[*:1] Cc1cc(c(C)cc1Oc1cccc(c1)[C@@H](C)[NH3+])[*:1]
CN(C)c1ccc(C(=O)c2ccccc2I)cc1 CN(C)[*:1] O=C(c1ccc(cc1)[*:1])c1ccccc1I
COCc1ccccc1NC(=O)NCCc1cccs1 c1csc(c1)[*:1] COCc1ccccc1NC(=O)NCC[*:1]
COCc1ccccc1NC(=O)NCCc1cccs1 c1csc(c1)C[*:1] COCc1ccccc1NC(=O)NC[*:1]
COCc1ccccc1NC(=O)NCCc1cccs1 COC[*:1] O=C(NCCc1cccs1)Nc1ccccc1[*:1]
Cc1ccc(-c2nc(C(=O)O[C@H](C)[C@@H]3CCOC3)cs2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](OC(=O)c1csc(n1)[*:1])[C@@H]1CCOC1
COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cnn(-c2ccccc2)c1 COC(=O)[*:1] C[C@@H](CN(C)S(=O)(=O)c1cnn(c1)-c1ccccc1)[*:1]
COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cnn(c1)[*:1]
COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cnn(-c2ccccc2)c1 COC(=O)[C@@H](C)[*:1] CN(C[*:1])S(=O)(=O)c1cnn(c1)-c1ccccc1
COc1cc(Cl)c(C[NH+](C)CCCS(C)(=O)=O)cc1Cl CS(=O)(=O)C[*:1] COc1cc(Cl)c(cc1Cl)C[NH+](C)CC[*:1]
COc1cc(Cl)c(C[NH+](C)CCCS(C)(=O)=O)cc1Cl CS(=O)(=O)[*:1] COc1cc(Cl)c(cc1Cl)C[NH+](C)CCC[*:1]
COc1cc(Cl)c(C[NH+](C)CCCS(C)(=O)=O)cc1Cl CS(=O)(=O)CC[*:1] COc1cc(Cl)c(cc1Cl)C[NH+](C)C[*:1]
C[C@H](NC(=O)c1ccco1)C(=O)N(C)[C@@H](C)C1CC1 c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N(C)[C@@H](C)C1CC1
C[C@H](NC(=O)c1ccco1)C(=O)N(C)[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] C[C@H](NC(=O)c1ccco1)C(=O)N(C)[*:1]
C[C@H](NC(=O)c1ccco1)C(=O)N(C)[C@@H](C)C1CC1 C1CC1[*:1] C[C@H](NC(=O)c1ccco1)C(=O)N(C)[C@@H](C)[*:1]
CC(C)[C@@H](C)N(C(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1)C1CC1 O=C1OCCN1[*:1] CC(C)[C@@H](C)N(C(=O)N[C@H](C)c1cccc(c1)[*:1])C1CC1
CC(C)[C@@H](C)N(C(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1)C1CC1 C1CC1[*:1] CC(C)[C@@H](C)N(C(=O)N[C@H](C)c1cccc(c1)N1CCOC1=O)[*:1]
CC(C)[C@@H](C)N(C(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1)C1CC1 CC(C)[*:1] C[C@@H](NC(=O)N(C1CC1)[C@H](C)[*:1])c1cccc(c1)N1CCOC1=O
CC(C)[C@@H](C)N(C(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1)C1CC1 CC(C)[C@@H](C)[*:1] C[C@@H](NC(=O)N(C1CC1)[*:1])c1cccc(c1)N1CCOC1=O
C[NH+](C)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 FC(F)(F)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(C)Cc1cccs1 c1csc(c1)C[*:1] Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(C)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(C)Cc1cccs1 Clc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1/C=C/C(=O)N(C)Cc1cccs1
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(C)Cc1cccs1 Clc1ccccc1C[*:1] Cc1nn(c(C)c1/C=C/C(=O)N(C)Cc1cccs1)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(C)Cc1cccs1 c1csc(c1)[*:1] Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(C)C[*:1]
COCc1ccccc1[C@@H](O)Cc1[nH+]ccn1C COC[*:1] Cn1cc[nH+]c1C[C@H](O)c1ccccc1[*:1]
O=C(N[C@H]1CCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)C1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(c1nn(-c2ccccc2)c(=O)c2ncccc12)N1CC[C@@H](C1)[*:1]
O=C(N[C@H]1CCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1nn(-c2ccccc2)c(=O)c2ncccc12)N1CC[C@@H](C1)NC(=O)[*:1]
O=C(N[C@H]1CCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1)C(=O)c1nn(c(=O)c2ncccc12)[*:1])c1ccccc1
O=C(NO[C@@H]1CCCCO1)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(NO[C@@H]1CCCCO1)c1cc(nc2c1cnn2Cc1cccc(F)c1)[*:1]
O=C(NO[C@@H]1CCCCO1)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NO[C@@H]1CCCCO1)c1cc(nc2c1cnn2C[*:1])-c1ccccc1
O=C(NO[C@@H]1CCCCO1)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(NO[C@@H]1CCCCO1)c1cc(nc2c1cnn2[*:1])-c1ccccc1
Cc1c(F)cccc1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 Cc1c(F)cccc1[*:1] O=C(NCc1[nH+]ccn1CCc1ccccc1)N[*:1]
Cc1c(F)cccc1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1c(F)cccc1NC(=O)NCc1[nH+]ccn1C[*:1]
Cc1c(F)cccc1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)NCc1[nH+]ccn1CC[*:1]
Cc1c(F)cccc1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1c(F)cccc1NC(=O)NCc1[nH+]ccn1[*:1]
COc1cc2cc3c(=O)[nH]c([O-])nc3n(-c3ccc(Cl)cc3)c-2cc1=O Clc1ccc(cc1)[*:1] COc1cc2cc3c(=O)[nH]c([O-])nc3n(c-2cc1=O)[*:1]
O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1ccc(F)cc1 c1cc(cs1)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)[*:1])c1ccc(F)cc1
O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(N[C@@H](c1ccsc1)[*:1])c1ccc(F)cc1
O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)[*:1]
C[C@H](CC(=O)N1CCOC[C@H]1C1CC1)C(C)(C)C C1CC1[*:1] C[C@H](CC(=O)N1CCOC[C@@H]1[*:1])C(C)(C)C
C[C@H](CC(=O)N1CCOC[C@H]1C1CC1)C(C)(C)C C[C@H](C(C)(C)C)[*:1] O=C(C[*:1])N1CCOC[C@H]1C1CC1
C[C@H](CC(=O)N1CCOC[C@H]1C1CC1)C(C)(C)C CC(C)(C)[*:1] C[C@H](CC(=O)N1CCOC[C@H]1C1CC1)[*:1]
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(CC1=CC2=CC=N[C@H]2C=C1)C1CC1 O=S(=O)(N1CCCC1)[*:1] O=C(c1ccc(cc1)[*:1])N(CC1C=C[C@@H]2N=CC=C2C=1)C1CC1
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(CC1=CC2=CC=N[C@H]2C=C1)C1CC1 C1CC1[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)N(CC1C=C[C@@H]2N=CC=C2C=1)[*:1]
CCOc1ccc(NC(=O)CSc2cc(N3CCC[C@H](C)C3)ncn2)cc1 CCO[*:1] C[C@H]1CCCN(C1)c1cc(ncn1)SCC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)CSc2cc(N3CCC[C@H](C)C3)ncn2)cc1 CCOc1ccc(cc1)[*:1] C[C@H]1CCCN(C1)c1cc(ncn1)SCC(=O)N[*:1]
C[C@@H](NC(=O)c1ccccc1F)[C@H](c1cccs1)N1CCOCC1 Fc1ccccc1[*:1] C[C@@H](NC(=O)[*:1])[C@H](c1cccs1)N1CCOCC1
C[C@@H](NC(=O)c1ccccc1F)[C@H](c1cccs1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)c1ccccc1F)[C@H](c1cccs1)[*:1]
C[C@@H](NC(=O)c1ccccc1F)[C@H](c1cccs1)N1CCOCC1 c1csc(c1)[*:1] C[C@@H](NC(=O)c1ccccc1F)[C@H](N1CCOCC1)[*:1]
CN(C)[C@@H]1CS(=O)(=O)C[C@@H]1/N=C/c1ccncc1 CN(C)[*:1] O=S1(=O)C[C@H]([C@H](C1)/N=C/c1ccncc1)[*:1]
CN(C)[C@@H]1CS(=O)(=O)C[C@@H]1/N=C/c1ccncc1 c1cc(ccn1)[*:1] CN(C)[C@@H]1CS(=O)(=O)C[C@@H]1N=C[*:1]
C[NH+](C)CCN1C[C@H](C(=O)Nc2ccccc2OC2CCCC2)CC1=O C1CCC(C1)[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)Nc1ccccc1O[*:1]
C[NH+](C)CCN1C[C@H](C(=O)Nc2ccccc2OC2CCCC2)CC1=O C1CCC(C1)O[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(OCc2cccs2)c1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)c1cccc(c1)OCc1cccs1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(OCc2cccs2)c1 c1csc(c1)C[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(c1)O[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(OCc2cccs2)c1 c1csc(c1)CO[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(c1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(OCc2cccs2)c1 c1csc(c1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(c1)OC[*:1]
CC[C@H]1C(=N)c2ccc(OCC(F)(F)F)cc2S1(=O)=O FC(F)(F)CO[*:1] CC[C@H]1C(=N)c2ccc(cc2S1(=O)=O)[*:1]
CC[C@H]1C(=N)c2ccc(OCC(F)(F)F)cc2S1(=O)=O FC(F)(F)C[*:1] CC[C@H]1C(=N)c2ccc(cc2S1(=O)=O)O[*:1]
CC[C@H]1C(=N)c2ccc(OCC(F)(F)F)cc2S1(=O)=O FC(F)(F)[*:1] CC[C@H]1C(=N)c2ccc(cc2S1(=O)=O)OC[*:1]
O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(Nc1ccc2CCCc2c1)[C@@H]1CCCN1S(=O)(=O)[*:1]
NC(=O)[C@@H](NCc1ccc(OC2CCCC2)nc1)c1ccccc1 C1CCC(C1)O[*:1] NC(=O)[C@@H](NCc1ccc(nc1)[*:1])c1ccccc1
NC(=O)[C@@H](NCc1ccc(OC2CCCC2)nc1)c1ccccc1 C1CCC(C1)[*:1] NC(=O)[C@@H](NCc1ccc(nc1)O[*:1])c1ccccc1
NC(=O)[C@@H](NCc1ccc(OC2CCCC2)nc1)c1ccccc1 NC(=O)[*:1] c1ccc(cc1)[C@H](NCc1ccc(nc1)OC1CCCC1)[*:1]
NC(=O)[C@@H](NCc1ccc(OC2CCCC2)nc1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](NCc1ccc(nc1)OC1CCCC1)[*:1]
CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@@H]1CN(C)CCO1 CCS(=O)(=O)[*:1] C[NH2+][C@H](CCC[*:1])[C@@H]1CN(C)CCO1
CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@@H]1CN(C)CCO1 CCS(=O)(=O)C[*:1] C[NH2+][C@H](CC[*:1])[C@@H]1CN(C)CCO1
COC(=O)c1c(N)n(-c2ccccc2F)c2nc3ccccc3nc12 COC(=O)[*:1] Nc1c(c2nc3ccccc3nc2n1-c1ccccc1F)[*:1]
COC(=O)c1c(N)n(-c2ccccc2F)c2nc3ccccc3nc12 Fc1ccccc1[*:1] COC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
Cc1ccc(CNC(=O)c2cccc(Nc3nc4ccccc4n4cnnc34)c2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])c1cccc(c1)Nc1nc2ccccc2n2cnnc12
Cc1ccc(CNC(=O)c2cccc(Nc3nc4ccccc4n4cnnc34)c2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1cccc(c1)Nc1nc2ccccc2n2cnnc12
CN(C(=O)c1cccc(SCC#N)c1)c1cccc(C#N)c1 N#CCS[*:1] CN(C(=O)c1cccc(c1)[*:1])c1cccc(C#N)c1
CN(C(=O)c1cccc(SCC#N)c1)c1cccc(C#N)c1 N#CC[*:1] CN(C(=O)c1cccc(c1)S[*:1])c1cccc(C#N)c1
CCCNC(=O)c1ccc(NC(=O)N(C)C[C@@H](O)C2CC2)cc1Cl CCCNC(=O)[*:1] CN(C[C@@H](O)C1CC1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCNC(=O)c1ccc(NC(=O)N(C)C[C@@H](O)C2CC2)cc1Cl C1CC1[*:1] CCCNC(=O)c1ccc(cc1Cl)NC(=O)N(C)C[C@@H](O)[*:1]
CCCNC(=O)c1ccc(NC(=O)N(C)C[C@@H](O)C2CC2)cc1Cl CCC[*:1] CN(C[C@@H](O)C1CC1)C(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
Cc1oc(S(N)(=O)=O)cc1C(=O)NC[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] Cc1oc(cc1C(=O)NC[C@@H](C)C[*:1])S(N)(=O)=O
Cc1oc(S(N)(=O)=O)cc1C(=O)NC[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] Cc1oc(cc1C(=O)NC[C@@H](C)[*:1])S(N)(=O)=O
Cc1oc(S(N)(=O)=O)cc1C(=O)NC[C@@H](C)Cc1cccs1 NS(=O)(=O)[*:1] Cc1oc(cc1C(=O)NC[C@@H](C)Cc1cccs1)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2)C[S@@](=O)C3)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc2C[S@](=O)Cc2c1NC(=O)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2)C[S@@](=O)C3)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1c2C[S@@](=O)Cc2nn1[*:1])c1ccc(Cl)cc1
CC[NH2+][C@@H](c1cccc(OC)c1)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] CC[NH2+][C@@H](c1cccc(c1)OC)[C@H](C)[*:1]
Cc1c(C(=O)NC2CCCC2)sc2ncnc(NCc3ccco3)c12 c1coc(c1)C[*:1] Cc1c(sc2ncnc(N[*:1])c12)C(=O)NC1CCCC1
Cc1c(C(=O)NC2CCCC2)sc2ncnc(NCc3ccco3)c12 O=C(NC1CCCC1)[*:1] Cc1c(sc2ncnc(NCc3ccco3)c12)[*:1]
Cc1c(C(=O)NC2CCCC2)sc2ncnc(NCc3ccco3)c12 c1coc(c1)CN[*:1] Cc1c(sc2ncnc(c12)[*:1])C(=O)NC1CCCC1
Cc1c(C(=O)NC2CCCC2)sc2ncnc(NCc3ccco3)c12 c1coc(c1)[*:1] Cc1c(sc2ncnc(NC[*:1])c12)C(=O)NC1CCCC1
Cc1c(C(=O)NC2CCCC2)sc2ncnc(NCc3ccco3)c12 C1CCC(C1)[*:1] Cc1c(sc2ncnc(NCc3ccco3)c12)C(=O)N[*:1]
N#Cc1ccc(OCc2nnnn2C2CC2)c(Cl)c1 C1CC1[*:1] N#Cc1ccc(OCc2nnnn2[*:1])c(Cl)c1
C[C@H](Cn1cccn1)[NH2+]CC1(O)CCCCC1 c1cnn(c1)[*:1] C[C@H](C[*:1])[NH2+]CC1(O)CCCCC1
O=C1CCc2c(OCc3noc(-c4cccs4)n3)cccc21 c1csc(c1)[*:1] O=C1CCc2c(cccc21)OCc1noc(n1)[*:1]
Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cscn2)cc1 c1nc(cs1)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)[NH2+]C[*:1]
Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cscn2)cc1 Cc1nccn1[*:1] C[C@H]([NH2+]Cc1cscn1)c1ccc(cc1)[*:1]
COc1cc(OC)cc(C(=O)N2CCN(Cc3ncoc3C(C)C)CC2)c1 CC(C)[*:1] COc1cc(cc(c1)C(=O)N1CCN(CC1)Cc1ncoc1[*:1])OC
COc1cc(OC)cc(C(=O)N2CCN(Cc3ncoc3C(C)C)CC2)c1 CC(C)c1ocnc1C[*:1] COc1cc(cc(c1)C(=O)N1CCN(CC1)[*:1])OC
CC(C)[C@H](C)N(C)C(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)[*:1] C[C@H](N(C)C(=O)c1nc(n[nH]1)C(C)(C)C)[*:1]
CC(C)[C@H](C)N(C)C(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)(C)[*:1] CC(C)[C@H](C)N(C)C(=O)c1nc(n[nH]1)[*:1]
CC(C)[C@H](C)N(C)C(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)[C@H](C)[*:1] CN(C(=O)c1nc(n[nH]1)C(C)(C)C)[*:1]
Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)c(Br)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@@H](C)NC(=O)[*:1])c(Br)c1
CCn1c(SCC(=O)[O-])nc2ccc(C)cc2c1=O O=C([O-])C[*:1] CCn1c(nc2ccc(C)cc2c1=O)S[*:1]
CCn1c(SCC(=O)[O-])nc2ccc(C)cc2c1=O O=C([O-])CS[*:1] CCn1c(nc2ccc(C)cc2c1=O)[*:1]
CCn1c(SCC(=O)[O-])nc2ccc(C)cc2c1=O O=C([O-])[*:1] CCn1c(nc2ccc(C)cc2c1=O)SC[*:1]
O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](C1)[*:1]
O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(N1CCO[C@H](C1)c1ccc(F)cc1)[*:1]
CCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(C(=O)c1cn(C)c(=O)c2ccccc12)[*:1]
CCSCc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 CCS[*:1] CN(C)N(C(=O)c1ccc(cc1)C[*:1])[C@H]1CCS(=O)(=O)C1
CCSCc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 CCSC[*:1] CN(C)N(C(=O)c1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
Cc1c(C(=O)N2CCC[C@@H](n3cccn3)C2)oc2ccccc12 c1cnn(c1)[*:1] Cc1c(oc2ccccc12)C(=O)N1CCC[C@@H](C1)[*:1]
COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(Br)cc1 COC(=O)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N[C@@H](C[*:1])c1ccc(Br)cc1
COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COC(=O)C[C@H](NS(=O)(=O)c1ccc2NC(=O)CCc2c1)[*:1]
COC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(Br)cc1 COC(=O)C[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N[C@H](c1ccc(Br)cc1)[*:1]
O=C(NCc1cccnc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 c1cncc(c1)[*:1] O=C(NC[*:1])c1ccc(Cl)c(c1)NC(=O)c1cccs1
O=C(NCc1cccnc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 c1cncc(c1)C[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)NC(=O)c1cccs1
O=C(NCc1cccnc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 O=C(NCc1cccnc1)c1ccc(Cl)c(c1)[*:1]
O=C(NCc1cccnc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] O=C(NCc1cccnc1)c1ccc(Cl)c(c1)NC(=O)[*:1]
C/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1C CC=C[*:1] Cc1cc(ccc1NC(=O)[*:1])[N+](=O)[O-]
C/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] C/C=C/C(=O)Nc1ccc(cc1C)[*:1]
Fc1cc(Br)ccc1[C@H]1CC[NH2+]C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Fc1cc(Br)ccc1[C@H]1CC[NH2+]C[C@@H]1[*:1]
CCOc1ccc2c(c1)CN(C(=O)Nc1cccc(-n3nnnc3C)c1)CC2 Cc1nnnn1[*:1] CCOc1ccc2CCN(Cc2c1)C(=O)Nc1cccc(c1)[*:1]
CCOc1ccc2c(c1)CN(C(=O)Nc1cccc(-n3nnnc3C)c1)CC2 CCO[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)N1CCc2ccc(cc2C1)[*:1]
Cc1cccc([C@@H](C)NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)c1C Cc1n[nH]c(C)c1[*:1] Cc1cccc(c1C)[C@@H](C)NC(=O)[C@H](C)C[*:1]
CC(=O)Nc1ccc(CCNC(=O)[C@H]2CCO[C@@H]2C)cc1 CC(=O)N[*:1] C[C@H]1OCC[C@@H]1C(=O)NCCc1ccc(cc1)[*:1]
Cc1cc(Br)c(O)c(C(=O)NC2(C(N)=O)CC2)c1 NC(=O)C1(CC1)[*:1] Cc1cc(Br)c(O)c(c1)C(=O)N[*:1]
Cc1cc(Br)c(O)c(C(=O)NC2(C(N)=O)CC2)c1 NC(=O)[*:1] Cc1cc(Br)c(O)c(c1)C(=O)NC1(CC1)[*:1]
C=CCN(C(=O)OCCO)C(C)C OCC[*:1] C=CCN(C(=O)O[*:1])C(C)C
C=CCN(C(=O)OCCO)C(C)C C=CC[*:1] CC(C)N(C(=O)OCCO)[*:1]
C=CCN(C(=O)OCCO)C(C)C CC(C)[*:1] C=CCN(C(=O)OCCO)[*:1]
COc1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1OC CC(C)=C[*:1] COc1ccc(cc1OC)CN(C(=O)[C@@H]1[C@@H](C1(C)C)[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1OC COc1ccc(cc1OC)[*:1] CC(C)=C[C@@H]1[C@@H](C(=O)N(C[*:1])[C@H]2CCS(=O)(=O)C2)C1(C)C
COc1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1OC O=S1(=O)CC[C@@H](C1)[*:1] COc1ccc(cc1OC)CN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)[*:1]
CCCc1cc(OCC(=O)[O-])nc(Nc2ccc(C#N)cc2)n1 O=C([O-])[*:1] CCCc1cc(nc(n1)Nc1ccc(C#N)cc1)OC[*:1]
CCCc1cc(OCC(=O)[O-])nc(Nc2ccc(C#N)cc2)n1 O=C([O-])C[*:1] CCCc1cc(nc(n1)Nc1ccc(C#N)cc1)O[*:1]
CCCc1cc(OCC(=O)[O-])nc(Nc2ccc(C#N)cc2)n1 O=C([O-])CO[*:1] CCCc1cc(nc(n1)Nc1ccc(C#N)cc1)[*:1]
CCCc1cc(OCC(=O)[O-])nc(Nc2ccc(C#N)cc2)n1 CCC[*:1] N#Cc1ccc(cc1)Nc1nc(cc(n1)[*:1])OCC(=O)[O-]
CCN(CC)C(=O)Cn1nc2n(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c3ccccc3n2c1=O CCN(CC)C(=O)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(C[*:1])nc12
CCN(CC)C(=O)Cn1nc2n(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c3ccccc3n2c1=O CCN(CC)C(=O)C[*:1] C[C@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(nc12)[*:1]
CCCS(=O)(=O)c1ncc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCCS(=O)(=O)c1ncc(Br)c(n1)C(=O)NNC(=O)[*:1]
CCCS(=O)(=O)c1ncc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1 CCCS(=O)(=O)[*:1] O=C(NNC(=O)c1nc(ncc1Br)[*:1])c1ccc(Cl)cc1
CCCS(=O)(=O)c1ncc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1 CCC[*:1] O=C(NNC(=O)c1nc(ncc1Br)S(=O)(=O)[*:1])c1ccc(Cl)cc1
Cn1cc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c(-c2ccccc2)n1 C1CN(CCO1)C[*:1] Cn1cc(C(=O)N2CC[C@@H](C2)[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c(n1)[*:1]
Cn1cc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c(-c2ccccc2)n1 C1CN(CCO1)[*:1] Cn1cc(C(=O)N2CC[C@H](C2)C[*:1])c(n1)-c1ccccc1
COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C Cc1ccc(cc1)[*:1] COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)N[*:1])C(=O)N1C
COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C COc1ccc(Cl)cc1[*:1] Cc1ccc(cc1)NC(=O)C[C@@H]1SC(=N[*:1])N(C)C1=O
O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCC[NH+](Cc2cccs2)CC1 c1csc(c1)[*:1] O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCC[NH+](CC1)C[*:1]
O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCC[NH+](Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCC[NH+](CC1)[*:1]
O=S(=O)(Cc1cccnc1)NC[C@@H]1CCC[NH2+]C1 c1cncc(c1)[*:1] O=S(=O)(C[*:1])NC[C@@H]1CCC[NH2+]C1
Cc1ccc(C[C@@]2(c3ccc(Cl)cc3)NC(N)=NC2=O)cc1 Cc1ccc(cc1)[*:1] NC1=NC(=O)[C@@](C[*:1])(N1)c1ccc(Cl)cc1
Cc1ccc(C[C@@]2(c3ccc(Cl)cc3)NC(N)=NC2=O)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)C[C@]1(NC(N)=NC1=O)[*:1]
Cc1ccc(C(=O)NNC(=O)Nc2ccc3oc(=O)ccc3c2)o1 Cc1ccc(o1)[*:1] O=C(NNC(=O)[*:1])Nc1ccc2oc(=O)ccc2c1
CCCC[C@H](CC)C(=O)N1[C@H](C(=O)[O-])COC12CCCCC2 CCCC[*:1] CC[C@H](C(=O)N1[C@@H](COC12CCCCC2)C(=O)[O-])[*:1]
CCCC[C@H](CC)C(=O)N1[C@H](C(=O)[O-])COC12CCCCC2 O=C([O-])[*:1] CCCC[C@H](CC)C(=O)N1[C@H](COC12CCCCC2)[*:1]
CCCC[C@H](CC)C(=O)N1[C@H](C(=O)[O-])COC12CCCCC2 CCCC[C@H](CC)[*:1] O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)[*:1]
CCCC[C@H](CC)C(=O)N1[C@H](C(=O)[O-])COC12CCCCC2 CCC[*:1] CC[C@@H](C[*:1])C(=O)N1[C@@H](COC12CCCCC2)C(=O)[O-]
C[C@@H]1[C@@H](NCc2cccc(N(C)C)[nH+]2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1[C@H](CC(=O)N1[*:1])NCc1cccc([nH+]1)N(C)C
C[C@@H]1[C@@H](NCc2cccc(N(C)C)[nH+]2)CC(=O)N1Cc1ccccc1 CN(C)[*:1] C[C@@H]1[C@H](CC(=O)N1Cc1ccccc1)NCc1cccc([nH+]1)[*:1]
C[C@@H]1[C@@H](NCc2cccc(N(C)C)[nH+]2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1[C@H](CC(=O)N1C[*:1])NCc1cccc([nH+]1)N(C)C
CC(C)C1CCC([NH+]2CCN(CC(=O)N3CCNC3=O)CC2)CC1 O=C1NCCN1C(=O)[*:1] CC(C)C1CCC(CC1)[NH+]1CCN(CC1)C[*:1]
CC(C)C1CCC([NH+]2CCN(CC(=O)N3CCNC3=O)CC2)CC1 CC(C)[*:1] O=C(CN1CC[NH+](CC1)C1CCC(CC1)[*:1])N1CCNC1=O
CC(C)[C@H](C)NC(=O)N[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)[C@H](C)NC(=O)N[C@@H]1CCS(=O)(=O)C1 CC(C)[C@H](C)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N[*:1]
CCOC(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c(C)n1C CCOC(=O)[*:1] Cc1c(C(=O)Nc2ccc(F)c(F)c2)c(C)n(C)c1[*:1]
CCOC(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c(C)n1C Fc1ccc(cc1F)[*:1] CCOC(=O)c1c(C)c(C(=O)N[*:1])c(C)n1C
CCOC(=O)c1ccccc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccccc1NC(=O)[*:1]
CCOC(=O)c1ccccc1NC(=O)c1ccccc1 CCOC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccccc1
COc1c(Cl)cc(C(=O)OCc2nc(C)no2)cc1Cl Cc1noc(n1)[*:1] COc1c(Cl)cc(cc1Cl)C(=O)OC[*:1]
Cc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cc(F)ccc1NC(=O)c1cc(cc(c1C)[*:1])[N+](=O)[O-]
Cc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C Cc1cc(F)ccc1[*:1] Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N[*:1]
Cc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cc(F)ccc1NC(=O)c1cc(cc(c1C)[N+](=O)[O-])[*:1]
COc1ccc2c(CC(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)coc2c1 CC(C)[*:1] COc1ccc2c(coc2c1)CC(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1]
COc1ccc2[nH]cc(C(=O)N3CCC[NH+](C(C)(C)C)CC3)c2c1 CC(C)(C)[*:1] COc1ccc2[nH]cc(C(=O)N3CCC[NH+](CC3)[*:1])c2c1
CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)C1 CC(=O)N[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NC(=O)N1CCC[C@H](C1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)C1 Cc1nccn1[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(N)=O)cc1Cl NC(=O)[*:1] COc1ccc(cc1Cl)/[NH+]=c1\oc2cc(O)ccc2cc1[*:1]
COC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC(C)C)c(C)c2)CC1 CC(C)O[*:1] COC[C@@H](C)N1CCN(CC1)S(=O)(=O)c1ccc(c(C)c1)[*:1]
COC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC(C)C)c(C)c2)CC1 COC[*:1] Cc1cc(ccc1OC(C)C)S(=O)(=O)N1CCN(CC1)[C@H](C)[*:1]
COC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC(C)C)c(C)c2)CC1 CC(C)[*:1] COC[C@@H](C)N1CCN(CC1)S(=O)(=O)c1ccc(O[*:1])c(C)c1
COC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC(C)C)c(C)c2)CC1 COC[C@@H](C)[*:1] Cc1cc(ccc1OC(C)C)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1c(Cl)cccc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)C[C@](C)(C(=O)[O-])[*:1]
Cc1c(Cl)cccc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] Cc1c(Cl)cccc1NC(=O)C[C@](C)(c1ccccc1)[*:1]
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c1)NC(=O)CCC2=O COc1ccc(cc1)[*:1] CCc1nn2C(=O)CCC(=O)Nc2c1-c1ccc(OC)c(c1)S(=O)(=O)N[*:1]
C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1 Clc1ccccc1[*:1] C[C@@H]([NH2+]CC(=O)N[*:1])c1ccc(Cl)cc1
C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)[*:1]
C[C@H](OC(=O)c1ccc(Cl)cc1N1CCCC1=O)[C@H]1CCCO1 O=C1CCCN1[*:1] C[C@H](OC(=O)c1ccc(Cl)cc1[*:1])[C@H]1CCCO1
Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1cccs1 c1csc(c1)[*:1] Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1N=C[*:1]
Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1cccs1 c1ccc(cc1)[*:1] Nc1c(C(=O)N[*:1])c2nc3ccccc3nc2n1/N=C/c1cccs1
Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1cccs1 O=C(Nc1ccccc1)[*:1] Nc1c(c2nc3ccccc3nc2n1/N=C/c1cccs1)[*:1]
CC(C)(NC(=O)[C@@H]1CCC(=O)O1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(NC(=O)[C@@H]1CCC(=O)O1)c1ccc(cc1)[*:1]
COC(=O)c1cc(C)ccc1NC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] COC(=O)c1cc(C)ccc1NC(=O)[C@@H](C)S[*:1]
COC(=O)c1cc(C)ccc1NC(=O)[C@@H](C)Sc1ccccn1 COC(=O)[*:1] Cc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)c(c1)[*:1]
COC(=O)c1cc(C)ccc1NC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)S[*:1] COC(=O)c1cc(C)ccc1NC(=O)[C@@H](C)[*:1]
CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)c(C)c1)CC2 Cc1ccc(cc1C)[*:1] CC(=O)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O C[C@@H](c1ccccc1)[*:1] CN(C(=O)Nc1cc(c[nH]c1=O)C(F)(F)F)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O FC(F)(F)[*:1] C[C@@H](c1ccccc1)N(C)C(=O)Nc1cc(c[nH]c1=O)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)Nc1cc(c[nH]c1=O)C(F)(F)F)[*:1]
CC(C)(C)n1cc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cn1 CC(C)(C)[*:1] O=C(c1ccccc1F)N1CCC(CC1)[NH2+]Cc1cnn(c1)[*:1]
CC(C)(C)n1cc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cn1 Fc1ccccc1[*:1] CC(C)(C)n1cc(cn1)C[NH2+]C1CCN(CC1)C(=O)[*:1]
C=C(CC)C[C@H](O)[C@](C)(CC)N1CCOCC1 C=C(CC)C[*:1] CC[C@@](C)([C@@H](O)[*:1])N1CCOCC1
C=C(CC)C[C@H](O)[C@](C)(CC)N1CCOCC1 C=C(CC)[*:1] CC[C@@](C)([C@@H](O)C[*:1])N1CCOCC1
C[C@H]1CC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)[C@H](C)C1 c1cc(ccn1)[*:1] C[C@H]1CC[C@@H](NC(=O)NNC(=O)C[*:1])[C@H](C)C1
C[C@H]1CC[C@@H](NC(=O)NNC(=O)Cc2ccncc2)[C@H](C)C1 c1cc(ccn1)C[*:1] C[C@H]1CC[C@@H](NC(=O)NNC(=O)[*:1])[C@H](C)C1
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cc[nH]n1 c1cc(n[nH]1)[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)[*:1]
COc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(C(=O)Nc2c(C)ccc(c2C)[*:1])c(c1)OC
COC(=O)c1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 COC(=O)[*:1] O=C(Nc1nc2cc3OCCOc3cc2s1)c1ccccc1[*:1]
Cn1cc[nH+]c1COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] Cn1cc[nH+]c1COC(=O)c1ccc(F)c(c1)[*:1]
CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]n1 c1cc(n[nH]1)[*:1] CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[*:1]
CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]n1 CC(C)(C)[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])c1cc[nH]n1
CCc1nc(C)nc(N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nc(C)nc(c1C[*:1])N1CCN(CC1)C(=O)c1ccc(cc1OC)OC
CCc1nc(C)nc(N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c1Cc1ccc(Cl)cc1 COc1ccc(c(c1)OC)[*:1] CCc1nc(C)nc(c1Cc1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
CCc1nc(C)nc(N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c1Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CCc1nc(C)nc(c1[*:1])N1CCN(CC1)C(=O)c1ccc(cc1OC)OC
C[C@H]1CCC[C@H](S[C@@H](C)[C@@H](C)C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CCC[C@@H](C1)S[C@@H](C)[C@@H](C)[*:1]
C[C@H]1CCC[C@H](S[C@@H](C)[C@@H](C)C(=O)[O-])C1 C[C@@H](C(=O)[O-])[*:1] C[C@H]1CCC[C@@H](C1)S[C@@H](C)[*:1]
Cc1ccc(NCC(=O)N(C)Cc2cccs2)cc1C(=O)N(C)C c1csc(c1)C[*:1] Cc1ccc(cc1C(=O)N(C)C)NCC(=O)N(C)[*:1]
Cc1ccc(NCC(=O)N(C)Cc2cccs2)cc1C(=O)N(C)C c1csc(c1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NCC(=O)N(C)C[*:1]
Cc1ccc(NCC(=O)N(C)Cc2cccs2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NCC(=O)N(C)Cc1cccs1
C#CCOc1ccc(NC(=O)NCc2coc(-c3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] C#CCOc1ccc(cc1)NC(=O)NCc1coc(n1)[*:1]
C#CCOc1ccc(NC(=O)NCc2coc(-c3ccc(C)cc3)n2)cc1 C#CC[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)Nc1ccc(cc1)O[*:1]
C#CCOc1ccc(NC(=O)NCc2coc(-c3ccc(C)cc3)n2)cc1 C#CCO[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)Nc1ccc(cc1)[*:1]
CC(=O)CCc1ccc(OCc2ncoc2C(C)C)cc1 CC(=O)[*:1] CC(C)c1ocnc1COc1ccc(cc1)CC[*:1]
CC(=O)CCc1ccc(OCc2ncoc2C(C)C)cc1 CC(=O)C[*:1] CC(C)c1ocnc1COc1ccc(cc1)C[*:1]
CC(=O)CCc1ccc(OCc2ncoc2C(C)C)cc1 CC(=O)CC[*:1] CC(C)c1ocnc1COc1ccc(cc1)[*:1]
CC(=O)CCc1ccc(OCc2ncoc2C(C)C)cc1 CC(C)[*:1] CC(=O)CCc1ccc(cc1)OCc1ncoc1[*:1]
CC(C)(C(=O)N1CCN(C(=O)NCCC(F)(F)F)CC1)c1ccccc1 FC(F)(F)C[*:1] CC(C)(C(=O)N1CCN(CC1)C(=O)NC[*:1])c1ccccc1
CC(C)(C(=O)N1CCN(C(=O)NCCC(F)(F)F)CC1)c1ccccc1 FC(F)(F)CC[*:1] CC(C)(C(=O)N1CCN(CC1)C(=O)N[*:1])c1ccccc1
CC(C)(C(=O)N1CCN(C(=O)NCCC(F)(F)F)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C(=O)N1CCN(CC1)C(=O)NCCC(F)(F)F)[*:1]
CC(C)(C(=O)N1CCN(C(=O)NCCC(F)(F)F)CC1)c1ccccc1 FC(F)(F)[*:1] CC(C)(C(=O)N1CCN(CC1)C(=O)NCC[*:1])c1ccccc1
CC(C)(O)C[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 CC(C)(O)C[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCC[C@@H]1[NH2+][*:1]
CC(C)(O)C[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 CC(C)(O)[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCC[C@@H]1[NH2+]C[*:1]
CN(Cc1ccccc1Cl)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 Clc1ccccc1[*:1] CN(C[*:1])C(=O)c1ccc(cc1)NC(=O)OC(C)(C)C
CN(Cc1ccccc1Cl)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 CC(C)(C)OC(=O)N[*:1] CN(Cc1ccccc1Cl)C(=O)c1ccc(cc1)[*:1]
CN(Cc1ccccc1Cl)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 Clc1ccccc1C[*:1] CN(C(=O)c1ccc(cc1)NC(=O)OC(C)(C)C)[*:1]
CN(Cc1ccccc1Cl)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] CN(Cc1ccccc1Cl)C(=O)c1ccc(cc1)NC(=O)O[*:1]
CC[C@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)N[C@@H]4CCS(=O)(=O)C4)n3C)cc2C1 O=S1(=O)CC[C@H](C1)[*:1] CC[C@H]1CCc2sc(cc2C1)-c1nnc(S[C@H](C)C(=O)N[*:1])n1C
CC[C@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)N[C@@H]4CCS(=O)(=O)C4)n3C)cc2C1 O=C(N[C@@H]1CCS(=O)(=O)C1)[*:1] CC[C@H]1CCc2sc(cc2C1)-c1nnc(S[C@H](C)[*:1])n1C
C[C@@H](NCCc1coc(-c2ccc(F)cc2)n1)c1ccccn1 Fc1ccc(cc1)[*:1] C[C@@H](NCCc1coc(n1)[*:1])c1ccccn1
C[C@@H](NCCc1coc(-c2ccc(F)cc2)n1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NCCc1coc(n1)-c1ccc(F)cc1)[*:1]
CC[C@](C)(C#N)NC(=O)c1ccc(OCC2CC2)nc1 C1CC1[*:1] CC[C@](C)(C#N)NC(=O)c1ccc(nc1)OC[*:1]
CC[C@](C)(C#N)NC(=O)c1ccc(OCC2CC2)nc1 C1CC1CO[*:1] CC[C@](C)(C#N)NC(=O)c1ccc(nc1)[*:1]
CC[C@](C)(C#N)NC(=O)c1ccc(OCC2CC2)nc1 C1CC1C[*:1] CC[C@](C)(C#N)NC(=O)c1ccc(nc1)O[*:1]
CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cnn3cc(CCO)cnc23)C1 OCC[*:1] CCc1cn[nH]c1[C@@H]1CCCN(C1)C(=O)c1cnn2cc(cnc12)[*:1]
CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cnn3cc(CCO)cnc23)C1 CCc1cn[nH]c1[*:1] O=C(c1cnn2cc(cnc12)CCO)N1CCC[C@H](C1)[*:1]
Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc21 NS(=O)(=O)[*:1] Cn1c(=O)n(C)c2cc(ccc21)S(=O)(=O)NCc1ccc(cc1)[*:1]
CCOCC(=O)N[C@@H](C)Cc1ccc(Cl)cc1 CCO[*:1] C[C@@H](Cc1ccc(Cl)cc1)NC(=O)C[*:1]
CCOCC(=O)N[C@@H](C)Cc1ccc(Cl)cc1 CCOC[*:1] C[C@@H](Cc1ccc(Cl)cc1)NC(=O)[*:1]
CN(C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc2ccccc2s1 Fc1ccc(cc1)[*:1] CN(C(=O)C1(CCOCC1)[*:1])c1nc2ccccc2s1
CC(=O)Nc1cc(C(=O)N2CCc3c(sc(N)c3C#N)C2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCc2c(C1)sc(N)c2C#N
O=[N+]([O-])c1cn(CCOc2ccc(OC(F)(F)F)cc2)cn1 O=[N+]([O-])[*:1] FC(F)(F)Oc1ccc(cc1)OCCn1cnc(c1)[*:1]
O=[N+]([O-])c1cn(CCOc2ccc(OC(F)(F)F)cc2)cn1 FC(F)(F)[*:1] O=[N+]([O-])c1cn(cn1)CCOc1ccc(cc1)O[*:1]
O=[N+]([O-])c1cn(CCOc2ccc(OC(F)(F)F)cc2)cn1 FC(F)(F)O[*:1] O=[N+]([O-])c1cn(cn1)CCOc1ccc(cc1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2C)C1 CC(=O)N[*:1] Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C1)[*:1]
N#Cc1cc2c(nc1NC(=O)c1cncc(-c3ccccc3)c1)CCC2 c1ccc(cc1)[*:1] N#Cc1cc2CCCc2nc1NC(=O)c1cncc(c1)[*:1]
C[C@@H](OC(=O)c1cccc(OCc2cccnc2)c1)[C@H]1CCOC1 c1cncc(c1)C[*:1] C[C@@H](OC(=O)c1cccc(c1)O[*:1])[C@H]1CCOC1
C[C@@H](OC(=O)c1cccc(OCc2cccnc2)c1)[C@H]1CCOC1 c1cncc(c1)[*:1] C[C@@H](OC(=O)c1cccc(c1)OC[*:1])[C@H]1CCOC1
C[C@@H](OC(=O)c1cccc(OCc2cccnc2)c1)[C@H]1CCOC1 c1cncc(c1)CO[*:1] C[C@@H](OC(=O)c1cccc(c1)[*:1])[C@H]1CCOC1
CC(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(C)c1ccc(cc1)[C@H](CNC(=O)c1cc(on1)-c1ccc2OCCOc2c1)[*:1]
CC(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCOCC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1cc(on1)-c1ccc2OCCOc2c1
CC(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCOCC2)cc1 CC(C)[*:1] O=C(NC[C@@H](c1ccc(cc1)[*:1])N1CCOCC1)c1cc(on1)-c1ccc2OCCOc2c1
CC(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCOCC2)cc1 c1cc2OCCOc2cc1[*:1] CC(C)c1ccc(cc1)[C@H](CNC(=O)c1cc(on1)[*:1])N1CCOCC1
O=C(NC1CCCCC1)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 C1CC(CCO1)[*:1] O=C(NC1CCCCC1)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
O=C(NC1CCCCC1)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 C1CCC(CC1)[*:1] O=C(N[*:1])N1CC[C@@]2(CCCN(C2=O)C2CCOCC2)C1
CCCNC(=O)NC(=O)CN1CCCC[C@H]1c1nc2ccccc2s1 CCC[*:1] O=C(CN1CCCC[C@H]1c1nc2ccccc2s1)NC(=O)N[*:1]
Cc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)s1 Cc1ccc(s1)[*:1] O=C(COc1ccc(Cl)cc1Cl)NNC(=O)[*:1]
O=C1CS[C@@H](c2ccc([N+](=O)[O-])o2)N1Cc1ccco1 c1coc(c1)[*:1] O=C1CS[C@@H](c2ccc(o2)[N+](=O)[O-])N1C[*:1]
O=C1CS[C@@H](c2ccc([N+](=O)[O-])o2)N1Cc1ccco1 O=[N+]([O-])[*:1] O=C1CS[C@@H](c2ccc(o2)[*:1])N1Cc1ccco1
O=C1CS[C@@H](c2ccc([N+](=O)[O-])o2)N1Cc1ccco1 c1coc(c1)C[*:1] O=C1CS[C@@H](c2ccc(o2)[N+](=O)[O-])N1[*:1]
O=[N+]([O-])c1c(Nc2ccncc2)ncnc1N1CCN(c2ccccc2)CC1 c1cc(ccn1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)c1ccccc1)N[*:1]
O=[N+]([O-])c1c(Nc2ccncc2)ncnc1N1CCN(c2ccccc2)CC1 c1cc(ccn1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1ccccc1
O=[N+]([O-])c1c(Nc2ccncc2)ncnc1N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)[*:1])Nc1ccncc1
O=[N+]([O-])c1c(Nc2ccncc2)ncnc1N1CCN(c2ccccc2)CC1 O=[N+]([O-])[*:1] c1ccc(cc1)N1CCN(CC1)c1ncnc(Nc2ccncc2)c1[*:1]
CCc1ccc(N2C[C@@H](C(=O)NNC(=O)Cc3ccncc3)CC2=O)cc1 c1cc(ccn1)C[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NNC(=O)[*:1]
CCc1ccc(N2C[C@@H](C(=O)NNC(=O)Cc3ccncc3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(Cc1ccncc1)NNC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCc1ccc(N2C[C@@H](C(=O)NNC(=O)Cc3ccncc3)CC2=O)cc1 c1cc(ccn1)[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NNC(=O)C[*:1]
C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCN1CCS(=O)(=O)CC1 NC(=O)[*:1] C[NH2+][C@]1(CCC[C@H]1CCN1CCS(=O)(=O)CC1)[*:1]
CCS[C@@H]1CCC[C@](CO)([NH2+]C(C)C)C1 CC(C)[*:1] CCS[C@@H]1CCC[C@@](CO)(C1)[NH2+][*:1]
CCS[C@@H]1CCC[C@](CO)([NH2+]C(C)C)C1 CCS[*:1] CC(C)[NH2+][C@@]1(CO)CCC[C@H](C1)[*:1]
CC(C)(CNC(=O)c1cn(-c2ccccc2)nn1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)c1cn(nn1)-c1ccccc1)[*:1]
CC(C)(CNC(=O)c1cn(-c2ccccc2)nn1)N1CCOCC1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)c1cn(nn1)[*:1])N1CCOCC1
COC(=O)c1ccc(Nc2ncnc(NN3CC[NH+](C)CC3)c2N)cc1 COC(=O)[*:1] C[NH+]1CCN(CC1)Nc1ncnc(Nc2ccc(cc2)[*:1])c1N
C[C@H](NC(=O)N(C)C)c1cccc(C#CCCO)c1 CN(C)C(=O)N[*:1] C[C@H](c1cccc(C#CCCO)c1)[*:1]
C[C@H](NC(=O)N(C)C)c1cccc(C#CCCO)c1 OCC[*:1] C[C@H](NC(=O)N(C)C)c1cccc(C#C[*:1])c1
C[C@H](NC(=O)N(C)C)c1cccc(C#CCCO)c1 OCCC#C[*:1] C[C@H](NC(=O)N(C)C)c1cccc(c1)[*:1]
Cc1noc(C)c1CSCC(=O)Nc1ccccc1C(C)C CC(C)[*:1] Cc1noc(C)c1CSCC(=O)Nc1ccccc1[*:1]
Cc1noc(C)c1CSCC(=O)Nc1ccccc1C(C)C Cc1noc(C)c1[*:1] CC(C)c1ccccc1NC(=O)CSC[*:1]
C[C@@H](CN[C@@H](C)c1cccnc1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CN[C@@H](C)c1cccnc1)c1nc(no1)[*:1]
C[C@@H](CN[C@@H](C)c1cccnc1)c1nc(-c2ccccc2)no1 c1cncc(c1)[*:1] C[C@@H](CN[C@@H](C)[*:1])c1nc(no1)-c1ccccc1
CC(C)CCC(=O)Nc1cc(-c2ccncc2)n[nH]1 CC(C)[*:1] O=C(CC[*:1])Nc1cc(n[nH]1)-c1ccncc1
CC(C)CCC(=O)Nc1cc(-c2ccncc2)n[nH]1 CC(C)C[*:1] O=C(C[*:1])Nc1cc(n[nH]1)-c1ccncc1
CC(C)CCC(=O)Nc1cc(-c2ccncc2)n[nH]1 CC(C)CC[*:1] O=C(Nc1cc(n[nH]1)-c1ccncc1)[*:1]
CC(C)CCC(=O)Nc1cc(-c2ccncc2)n[nH]1 c1cc(ccn1)[*:1] CC(C)CCC(=O)Nc1cc(n[nH]1)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)c(F)c2)NC(=S)N1 CC(C)[*:1] CC1NC(=S)N[C@H](C=1C(=O)O[*:1])c1ccc(F)c(F)c1
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)c(F)c2)NC(=S)N1 CC(C)OC(=O)[*:1] CC1NC(=S)N[C@H](C=1[*:1])c1ccc(F)c(F)c1
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(C)=O)c2)c1 CCN(CC)S(=O)(=O)[*:1] CC(=O)c1cccc(c1)NC(=O)c1cc(ccc1C)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(C)=O)c2)c1 CC(=O)[*:1] CCN(CC)S(=O)(=O)c1ccc(C)c(c1)C(=O)Nc1cccc(c1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(C)=O)c2)c1 CC(=O)c1cccc(c1)[*:1] CCN(CC)S(=O)(=O)c1ccc(C)c(c1)C(=O)N[*:1]
O=S(=O)(c1cccc(F)c1)N1CCN(c2cc[nH+]c3cc(Cl)ccc23)CC1 Fc1cccc(c1)[*:1] O=S(=O)(N1CCN(CC1)c1cc[nH+]c2cc(Cl)ccc12)[*:1]
C/[NH+]=C(/NCc1noc(C)n1)N[C@H](C)c1ccc(C)o1 Cc1nc(no1)[*:1] C/[NH+]=C(/NC[*:1])N[C@H](C)c1ccc(C)o1
C/[NH+]=C(/NCc1noc(C)n1)N[C@H](C)c1ccc(C)o1 Cc1ccc(o1)[*:1] C/[NH+]=C(/NCc1noc(C)n1)N[C@H](C)[*:1]
Cc1cn(CC(C)(C)C(=O)NN)nc1[N+](=O)[O-] NNC(=O)[*:1] Cc1cn(CC(C)(C)[*:1])nc1[N+](=O)[O-]
Cc1cn(CC(C)(C)C(=O)NN)nc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cn(CC(C)(C)C(=O)NN)nc1[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N1CC(C(=O)N(Cc2ccccc2)c2ccccc2)C1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(C1CN(C1)C(=O)[*:1])N(Cc1ccccc1)c1ccccc1
O=C(c1ccc([N+](=O)[O-])o1)N1CC(C(=O)N(Cc2ccccc2)c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N1CC(C1)C(=O)N(Cc1ccccc1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N1CC(C(=O)N(Cc2ccccc2)c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N1CC(C1)C(=O)N(C[*:1])c1ccccc1
O=C(c1ccc([N+](=O)[O-])o1)N1CC(C(=O)N(Cc2ccccc2)c2ccccc2)C1 O=[N+]([O-])[*:1] O=C(c1ccc(o1)[*:1])N1CC(C1)C(=O)N(Cc1ccccc1)c1ccccc1
O=C(c1ccc([N+](=O)[O-])o1)N1CC(C(=O)N(Cc2ccccc2)c2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N1CC(C1)C(=O)N(c1ccccc1)[*:1]
CCCc1cc(C(=O)N2CCC[C@@H]2c2cc(C)on2)no1 CCC[*:1] Cc1cc(no1)[C@H]1CCCN1C(=O)c1cc(on1)[*:1]
CCCc1cc(C(=O)N2CCC[C@@H]2c2cc(C)on2)no1 Cc1cc(no1)[*:1] CCCc1cc(no1)C(=O)N1CCC[C@H]1[*:1]
COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c(OC)c1 Cc1ccccc1[*:1] COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc([nH]c(=O)c32)SC[*:1])c(c1)OC
COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c(OC)c1 Cc1ccccc1C[*:1] COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc([nH]c(=O)c32)S[*:1])c(c1)OC
COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c(OC)c1 Cc1ccccc1CS[*:1] COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc([nH]c(=O)c32)[*:1])c(c1)OC
COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ccccc1CSc1nc2NC(=O)C[C@@H](C(=O)N[*:1])c2c(=O)[nH]1
O=C(Nc1cccnc1)N1CCN(Cc2cccc(O)c2)CC1 Oc1cccc(c1)[*:1] O=C(Nc1cccnc1)N1CCN(CC1)C[*:1]
O=C(Nc1cccnc1)N1CCN(Cc2cccc(O)c2)CC1 c1cncc(c1)[*:1] O=C(N[*:1])N1CCN(CC1)Cc1cccc(O)c1
O=C(COc1ccccc1-c1ccccc1)N[C@H]1CCSc2c(F)cccc21 c1ccc(cc1)[*:1] O=C(COc1ccccc1[*:1])N[C@H]1CCSc2c(F)cccc21
COc1cccc(C2=N/C(=C/C(C)=C/c3ccccc3)C(=O)O2)c1 COc1cccc(c1)[*:1] CC(=C\c1ccccc1)/C=C1/N=C(OC1=O)[*:1]
COc1cccc(C2=N/C(=C/C(C)=C/c3ccccc3)C(=O)O2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C1=N/C(=C/C(/C)=C[*:1])C(=O)O1
CCN[C@]1(C(=O)OC)CC[C@@H](OC)C1 CCN[*:1] COC(=O)[C@@]1(CC[C@H](C1)OC)[*:1]
CCN[C@]1(C(=O)OC)CC[C@@H](OC)C1 COC(=O)[*:1] CCN[C@@]1(CC[C@H](C1)OC)[*:1]
COC(=O)[C@@H](C)CN(C)C(=O)/C=C(/C)c1ccc(F)cc1F COC(=O)[*:1] C/C(=C/C(=O)N(C)C[C@H](C)[*:1])c1ccc(F)cc1F
COC(=O)[C@@H](C)CN(C)C(=O)/C=C(/C)c1ccc(F)cc1F COC(=O)[C@@H](C)[*:1] C/C(=C/C(=O)N(C)C[*:1])c1ccc(F)cc1F
COC(=O)[C@@H](C)CN(C)C(=O)/C=C(/C)c1ccc(F)cc1F COC(=O)[C@@H](C)C[*:1] C/C(=C/C(=O)N(C)[*:1])c1ccc(F)cc1F
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 CC(C)[*:1] O=C(C[*:1])NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 CC(C)C[*:1] O=C(NNC(=O)[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)CC(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)[*:1])c1ccccc1
CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)[*:1]
CCC[C@H](NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 CCC[*:1] C[C@H](C(=O)N[C@H](c1ccccc1)[*:1])S(=O)(=O)c1ccc(F)cc1
COCCCNC(=O)/C(C#N)=C(/[O-])c1ccc(-c2nc(C)no2)cc1 COC[*:1] Cc1noc(n1)-c1ccc(cc1)/C([O-])=C(/C#N)C(=O)NCC[*:1]
COCCCNC(=O)/C(C#N)=C(/[O-])c1ccc(-c2nc(C)no2)cc1 COCCC[*:1] Cc1noc(n1)-c1ccc(cc1)/C([O-])=C(/C#N)C(=O)N[*:1]
COCCCNC(=O)/C(C#N)=C(/[O-])c1ccc(-c2nc(C)no2)cc1 COCC[*:1] Cc1noc(n1)-c1ccc(cc1)/C([O-])=C(/C#N)C(=O)NC[*:1]
COCCCNC(=O)/C(C#N)=C(/[O-])c1ccc(-c2nc(C)no2)cc1 COCCCNC(=O)[*:1] Cc1noc(n1)-c1ccc(cc1)C([O-])=C(C#N)[*:1]
COCCCNC(=O)/C(C#N)=C(/[O-])c1ccc(-c2nc(C)no2)cc1 Cc1noc(n1)[*:1] COCCCNC(=O)/C(C#N)=C(/[O-])c1ccc(cc1)[*:1]
Cc1cc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(Cl)cc1)C3 Clc1ccc(cc1)[*:1] Cc1cc2nc3C[C@@H](CC(=O)c3cn2n1)[*:1]
C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H]([NH2+][C@@H]1CCN(C1)c1ccccc1)c1ccc(cc1)[*:1]
C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)c1ccc(S(N)(=O)=O)cc1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H]1CCN(C1)[*:1])c1ccc(cc1)S(N)(=O)=O
CC[C@@H](OC(=O)c1ccc(F)nc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](OC(=O)c1ccc(F)nc1)c1cccc(c1)[*:1]
CC[C@@H](OC(=O)c1ccc(F)nc1)c1cccc([N+](=O)[O-])c1 Fc1ccc(cn1)[*:1] CC[C@@H](OC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)OCc1ccccc1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)N(C)OCc1ccccc1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)OCc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)N(C)O[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)OCc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)N(C)OC[*:1])[N+](=O)[O-]
CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 FC(F)(F)O[*:1] CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)NC(=NO2)c1ccc(cc1)[*:1]
CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 FC(F)(F)Oc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)NC(=NO2)[*:1]
CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 CCc1ccccc1NC(=O)[*:1] FC(F)(F)Oc1ccc(cc1)C1=NOC2(CC[NH+](CC2)C[*:1])N1
CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 CCc1ccccc1[*:1] O=C(C[NH+]1CCC2(CC1)NC(=NO2)c1ccc(cc1)OC(F)(F)F)N[*:1]
CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 FC(F)(F)[*:1] CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)NC(=NO2)c1ccc(cc1)O[*:1]
O=C(CCNC(=O)c1ccc(C2CCCCC2)cc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCNC(=O)c1ccc(cc1)[*:1])NC1CCCCC1
O=C(CCNC(=O)c1ccc(C2CCCCC2)cc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCNC(=O)c1ccc(cc1)C1CCCCC1)N[*:1]
CN(Cc1ccccc1N1CCOCC1)C(=O)c1scnc1C1CC1 c1nc(c(s1)[*:1])C1CC1 CN(Cc1ccccc1N1CCOCC1)C(=O)[*:1]
CN(Cc1ccccc1N1CCOCC1)C(=O)c1scnc1C1CC1 C1CN(CCO1)[*:1] CN(Cc1ccccc1[*:1])C(=O)c1scnc1C1CC1
CN(Cc1ccccc1N1CCOCC1)C(=O)c1scnc1C1CC1 C1CC1[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)c1scnc1[*:1]
Cc1cc(C)c2c(NC[C@H]3CCCN(C(=O)C4CC4)C3)ncnc2n1 C1CC1[*:1] Cc1cc(C)c2c(ncnc2n1)NC[C@H]1CCCN(C1)C(=O)[*:1]
CS(=O)(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CS(=O)(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1[*:1]
CS(=O)(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(Br)cc1)[*:1]
CS(=O)(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 CS(=O)(=O)[*:1] O=C1C([O-])=C([C@H](c2ccc(Br)cc2)N1c1ccccc1)[*:1]
Cc1nn(C)c(Oc2ccc(I)nc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)c(Oc2ccc(I)nc2)c1[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] CC[C@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 CC[C@H](C)[*:1] O=C(Nc1cccc(c1)C(=O)NC1CC1)C(=O)N[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] CC[C@H](C)NC(=O)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CCN1C(=O)[C@](C)(C(=O)NCc2ccccc2)Oc2cccnc21 c1ccc(cc1)[*:1] CCN1C(=O)[C@@](C)(Oc2cccnc21)C(=O)NC[*:1]
CCN1C(=O)[C@](C)(C(=O)NCc2ccccc2)Oc2cccnc21 c1ccc(cc1)C[*:1] CCN1C(=O)[C@@](C)(Oc2cccnc21)C(=O)N[*:1]
COCc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1 COC[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
O=C([C@H]1SCCc2ccccc21)N1CCO[C@@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C([C@H]1SCCc2ccccc21)N1CCO[C@@H](C1)[*:1]
O=C(Nc1ccccc1)c1cccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 c1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O
O=C(Nc1ccccc1)c1cccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 O=C(Nc1ccccc1)[*:1] O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cccc(c1)[*:1]
CCOC(=O)C1CCN(S(=O)(=O)[C@@H]2CON(C)[C@@H]2c2ccc(Cl)cc2Cl)CC1 CCOC(=O)[*:1] CN1OC[C@H]([C@H]1c1ccc(Cl)cc1Cl)S(=O)(=O)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(S(=O)(=O)[C@@H]2CON(C)[C@@H]2c2ccc(Cl)cc2Cl)CC1 Clc1ccc(c(Cl)c1)[*:1] CCOC(=O)C1CCN(CC1)S(=O)(=O)[C@@H]1CON(C)[C@H]1[*:1]
N#CCc1ccc(Cl)c(OC(F)(F)F)c1 N#CC[*:1] FC(F)(F)Oc1cc(ccc1Cl)[*:1]
N#CCc1ccc(Cl)c(OC(F)(F)F)c1 FC(F)(F)O[*:1] N#CCc1ccc(Cl)c(c1)[*:1]
N#CCc1ccc(Cl)c(OC(F)(F)F)c1 FC(F)(F)[*:1] N#CCc1ccc(Cl)c(c1)O[*:1]
COc1ccc(C2(CNC(=O)OCc3ccccc3)CCOCC2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)O[*:1]
COc1ccc(C2(CNC(=O)OCc3ccccc3)CCOCC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)OC[*:1]
COc1ccc(C2(CNC(=O)OCc3ccccc3)CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])OCc1ccccc1
Cc1nn2ncc(C(=O)NC3CCCCC3)c2[nH]1 C1CCC(CC1)[*:1] Cc1nn2ncc(C(=O)N[*:1])c2[nH]1
Cc1cc2c(cc1C[NH2+][C@@H]1CC(C)(C)Cc3nc(C(C)(C)C)ncc31)OCO2 CC(C)(C)[*:1] Cc1cc2OCOc2cc1C[NH2+][C@@H]1CC(C)(C)Cc2nc(ncc21)[*:1]
O=C([O-])[C@@H]1CS[C@H](c2ccncc2)[NH2+]1 O=C([O-])[*:1] c1cc(ccn1)[C@@H]1[NH2+][C@@H](CS1)[*:1]
CCn1c(C)nnc1S[C@@H](C)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] CCn1c(C)nnc1S[C@@H](C)c1cn(nn1)[*:1]
Cc1cc(C(=O)Nc2cc(Br)ccc2Br)cc(S(=O)(=O)N(C)C)c1C CN(C)S(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)Nc1cc(Br)ccc1Br
Cc1cc(C(=O)Nc2cc(Br)ccc2Br)cc(S(=O)(=O)N(C)C)c1C Brc1ccc(Br)c(c1)[*:1] Cc1cc(cc(c1C)S(=O)(=O)N(C)C)C(=O)N[*:1]
CCCOc1ccccc1OCCS SCCO[*:1] CCCOc1ccccc1[*:1]
CCCOc1ccccc1OCCS CCC[*:1] SCCOc1ccccc1O[*:1]
CCCOc1ccccc1OCCS CCCO[*:1] SCCOc1ccccc1[*:1]
CCCOc1ccccc1OCCS SCC[*:1] CCCOc1ccccc1O[*:1]
O=C(c1ccc(-n2ccnn2)cc1)N1CCCN(CC(F)(F)F)CC1 c1cn(nn1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCCN(CC1)CC(F)(F)F
O=C(c1ccc(-n2ccnn2)cc1)N1CCCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CCCN(CC1)[*:1]
O=C(c1ccc(-n2ccnn2)cc1)N1CCCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CCCN(CC1)C[*:1]
Cc1ccsc1CN1C(=O)C(C)(C)NC(=O)[C@@H]1C(C)C CC(C)[*:1] Cc1ccsc1CN1C(=O)C(C)(C)NC(=O)[C@H]1[*:1]
Cc1ccsc1CN1C(=O)C(C)(C)NC(=O)[C@@H]1C(C)C Cc1ccsc1[*:1] CC(C)[C@H]1C(=O)NC(C)(C)C(=O)N1C[*:1]
[O-]c1[nH+]nn(-c2ccccc2)c1CN1CCCc2cc(F)cc(F)c21 c1ccc(cc1)[*:1] [O-]c1[nH+]nn(c1CN1CCCc2cc(F)cc(F)c21)[*:1]
Cc1ccc(C)c(N2N=C(C(=O)Nc3cccc(-c4cnco4)c3)CCC2=O)c1 c1ncc(o1)[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C)c(N2N=C(C(=O)Nc3cccc(-c4cnco4)c3)CCC2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(Nc1cccc(c1)-c1cnco1)C1CCC(=O)N(N=1)[*:1]
Cc1ccc(O[C@H](C)[C@@H](C)O)c(C[NH2+]CC(C)C)n1 C[C@@H](O)[C@@H](C)O[*:1] Cc1ccc(c(C[NH2+]CC(C)C)n1)[*:1]
Cc1ccc(O[C@H](C)[C@@H](C)O)c(C[NH2+]CC(C)C)n1 CC(C)C[*:1] Cc1ccc(O[C@H](C)[C@@H](C)O)c(C[NH2+][*:1])n1
Cc1ccc(O[C@H](C)[C@@H](C)O)c(C[NH2+]CC(C)C)n1 C[C@@H](O)[C@@H](C)[*:1] Cc1ccc(O[*:1])c(C[NH2+]CC(C)C)n1
Cc1ccc(O[C@H](C)[C@@H](C)O)c(C[NH2+]CC(C)C)n1 CC(C)[*:1] Cc1ccc(O[C@H](C)[C@@H](C)O)c(C[NH2+]C[*:1])n1
Cc1ccc(O[C@H](C)[C@@H](C)O)c(C[NH2+]CC(C)C)n1 C[C@@H](O)[*:1] Cc1ccc(O[C@H](C)[*:1])c(C[NH2+]CC(C)C)n1
Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c1Cl c1nnnn1[*:1] Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(cc2)[*:1])c1Cl
Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c1Cl Cc1c(Cl)cnc(c1Cl)[*:1] O=C(COC(=O)c1ccc(cc1)-n1cnnn1)N[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)C1 Fc1cccc(c1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N[C@@H]1CCCN(C1)[*:1]
CNC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)C(=O)OC CNC(=O)[*:1] COC(=O)[C@@H](C)[C@@H](C)[NH2+][C@@H](C)[*:1]
CNC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)C(=O)OC COC(=O)[*:1] CNC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(Cl)s2)C1 CC[C@@H](C)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1])c1ccc(Cl)s1
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(Cl)s2)C1 Clc1ccc(s1)[*:1] CC[C@@H](C)C(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
Cc1ccccc1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 N#Cc1ccc(nc1)O[*:1] Cc1ccccc1CNC(=O)NC1CCC(CC1)[*:1]
Cc1ccccc1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 Cc1ccccc1[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)NC[*:1]
Cc1ccccc1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 N#Cc1ccc(nc1)[*:1] Cc1ccccc1CNC(=O)NC1CCC(CC1)O[*:1]
Cc1ccccc1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 Cc1ccccc1C[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)N[*:1]
Cc1nc(CCNC(=O)N[C@@H]2CCN(c3ccccc3)C2)sc1C Cc1nc(sc1C)[*:1] O=C(NCC[*:1])N[C@@H]1CCN(C1)c1ccccc1
Cc1nc(CCNC(=O)N[C@@H]2CCN(c3ccccc3)C2)sc1C c1ccc(cc1)[*:1] Cc1nc(CCNC(=O)N[C@@H]2CCN(C2)[*:1])sc1C
Cc1nc(CCNC(=O)N[C@@H]2CCN(c3ccccc3)C2)sc1C Cc1nc(C[*:1])sc1C O=C(NC[*:1])N[C@@H]1CCN(C1)c1ccccc1
COc1cc(/C=C/C(=O)c2ccc(SC)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(/C=C/C(=O)c2ccc(cc2)SC)ccc1[*:1]
COC(=O)c1cccc(N(C)CCC2CC2)n1 C1CC1CC[*:1] COC(=O)c1cccc(n1)N(C)[*:1]
COC(=O)c1cccc(N(C)CCC2CC2)n1 COC(=O)[*:1] CN(CCC1CC1)c1cccc(n1)[*:1]
COC(=O)c1cccc(N(C)CCC2CC2)n1 C1CC1[*:1] COC(=O)c1cccc(n1)N(C)CC[*:1]
COC(=O)c1cccc(N(C)CCC2CC2)n1 C1CC1C[*:1] COC(=O)c1cccc(n1)N(C)C[*:1]
CC[C@@H](Br)CCCc1[nH+]ccn1CC CC[C@@H](Br)[*:1] CCn1cc[nH+]c1CCC[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(OCc3ccccc3C)CC2)c1C Cc1ccccc1C[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)O[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(OCc3ccccc3C)CC2)c1C Cc1ccccc1[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)OC[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(OCc3ccccc3C)CC2)c1C CCOC(=O)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)c1[nH]c(C)c(c1C)[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(OCc3ccccc3C)CC2)c1C Cc1ccccc1CO[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)[*:1])c1C
Cc1cnc2c(S(=O)(=O)N3CCN(Cc4c(C)noc4C)CC3)cccc2c1 Cc1noc(C)c1[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1cnc2c(S(=O)(=O)N3CCN(Cc4c(C)noc4C)CC3)cccc2c1 Cc1noc(C)c1C[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@@H](C)c1ccc2c(c1)OCCO2 C1CC[C@@H](C[*:1])OC1 CC(C)N(C(=O)[C@@H](C)c1ccc2OCCOc2c1)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@@H](C)c1ccc2c(c1)OCCO2 CC(C)[*:1] C[C@H](C(=O)N(C[C@@H]1CCCCO1)[*:1])c1ccc2OCCOc2c1
CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@@H](C)c1ccc2c(c1)OCCO2 C1CC[C@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)[C@@H](C)c1ccc2OCCOc2c1
Cc1cccc(CN2CCN(C(=O)c3cn4c5c(cccc5c3=O)CC4)[C@@H](C)C2=O)c1 Cc1cccc(c1)C[*:1] C[C@H]1C(=O)N(CCN1C(=O)c1cn2CCc3cccc(c1=O)c32)[*:1]
Cc1cccc(CN2CCN(C(=O)c3cn4c5c(cccc5c3=O)CC4)[C@@H](C)C2=O)c1 Cc1cccc(c1)[*:1] C[C@H]1C(=O)N(CCN1C(=O)c1cn2CCc3cccc(c1=O)c32)C[*:1]
CCSc1nnc2c(n1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)Nc1ccccc1-2 CCS[*:1] COc1cc(cc(OC)c1OC)[C@H]1Nc2ccccc2-c2nnc(nc2O1)[*:1]
CCc1cc(C(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)n(C)n1 O=C([O-])[*:1] CCc1cc(C(=O)N[C@@H]2C=C[C@H](C2)[*:1])n(C)n1
CC(C)(C)c1ccc(C[S@](=O)Cc2nc(-c3cccs3)no2)cc1 CC(C)(C)[*:1] O=[S@@](Cc1ccc(cc1)[*:1])Cc1nc(no1)-c1cccs1
CC(C)(C)c1ccc(C[S@](=O)Cc2nc(-c3cccs3)no2)cc1 c1csc(c1)[*:1] CC(C)(C)c1ccc(cc1)C[S@](=O)Cc1nc(no1)[*:1]
Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccccc2Cl)n1C Clc1ccccc1[*:1] Cc1nc(c(C(=O)OC[*:1])n1C)[N+](=O)[O-]
Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccccc2Cl)n1C O=[N+]([O-])[*:1] Cc1nc(c(C(=O)OCc2ccccc2Cl)n1C)[*:1]
Cc1cc(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc(C(C)C)n1 c1ccc(cc1)[*:1] Cc1cc(nc(n1)C(C)C)S[C@@H](C)C(=O)N[C@@H](C)[*:1]
Cc1cc(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc(C(C)C)n1 C[C@@H](c1ccccc1)[*:1] Cc1cc(nc(n1)C(C)C)S[C@@H](C)C(=O)N[*:1]
Cc1cc(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])S[C@@H](C)C(=O)N[C@@H](C)c1ccccc1
Cc1ccnc(NNC(=O)[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 Cc1ccnc(c1)[*:1] CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C1)C(=O)NN[*:1]
Cc1ccnc(NNC(=O)[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 CC(C)(C)OC(=O)N[*:1] Cc1ccnc(c1)NNC(=O)[C@@H]1CCC[C@H](C1)[*:1]
Cc1ccnc(NNC(=O)[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 CC(C)(C)[*:1] Cc1ccnc(c1)NNC(=O)[C@@H]1CCC[C@@H](C1)NC(=O)O[*:1]
COc1cccc(CNC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1 Clc1ccc(c(Cl)c1)[*:1] COc1cccc(c1)CNC(=O)COC(=O)[*:1]
COc1cccc(CNC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1 COc1cccc(c1)[*:1] O=C(COC(=O)c1ccc(Cl)cc1Cl)NC[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)CCSc1ccccn1 c1ccc(nc1)S[*:1] CNC(=O)c1cc(C)ccc1NC(=O)CC[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)CCSc1ccccn1 c1ccc(nc1)[*:1] CNC(=O)c1cc(C)ccc1NC(=O)CCS[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)CCSc1ccccn1 CNC(=O)[*:1] Cc1ccc(NC(=O)CCSc2ccccn2)c(c1)[*:1]
CCC(=O)Nc1c(-c2cc(OC)ccc2OC)n[nH]c1C CCC(=O)N[*:1] COc1ccc(OC)c(c1)-c1n[nH]c(C)c1[*:1]
Cc1cc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)sc1C O=C(C[*:1])NC1CC1 Cc1cc(sc1C)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1cc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)sc1C O=C(NC1CC1)[*:1] Cc1cc(sc1C)S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1cc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)sc1C C1CC1[*:1] Cc1cc(sc1C)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1cc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)sc1C Cc1cc(sc1C)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])NC1CC1
Cc1noc(COC(=O)CCc2ccccc2Br)n1 Cc1noc(n1)[*:1] O=C(CCc1ccccc1Br)OC[*:1]
CNC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2O)cs1 CNC(=O)[*:1] Cc1ccc(O)c(c1)NS(=O)(=O)c1csc(c1)[*:1]
CCc1ccc([C@H](C)CC(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cc1 CCc1ccc(cc1)[*:1] CC(C)C(=O)N[C@H]1CCCN(C1)C(=O)C[C@@H](C)[*:1]
CCc1ccc([C@H](C)CC(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cc1 CC(C)C(=O)N[*:1] CCc1ccc(cc1)[C@H](C)CC(=O)N1CCC[C@H](C1)[*:1]
CCc1ccc([C@H](C)CC(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@H](C)CC(=O)N1CCC[C@@H](C1)NC(=O)[*:1]
CC[C@H](C)N(CC)[C@@H](C[NH3+])c1sccc1C CC[C@H](C)[*:1] CCN([C@@H](C[NH3+])c1sccc1C)[*:1]
Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cccs2)s1 Cc1ccc(s1)[*:1] C[C@H]([NH2+]CCNS(=O)(=O)[*:1])c1cccs1
Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cccs2)s1 c1csc(c1)[*:1] Cc1ccc(s1)S(=O)(=O)NCC[NH2+][C@@H](C)[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NCC(C)(C)N3CCOCC3)c2)n1 C1CN(CCO1)[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)NCC(C)(C)[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NCC(C)(C)N3CCOCC3)c2)n1 CC(C)(N1CCOCC1)[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)NC[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NCC(C)(C)N3CCOCC3)c2)n1 Cc1cc(C)n(n1)[*:1] CC(C)(CNC(=O)Nc1cccc(c1)[*:1])N1CCOCC1
COC(C)(C)c1noc(C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] COC(C)(C)c1noc(C[C@@H](C)S(=O)(=O)[*:1])n1
COC(C)(C)c1noc(C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)n1 COC(C)(C)[*:1] C[C@H](Cc1nc(no1)[*:1])S(=O)(=O)c1ccc(F)cc1
CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCc3cc(C(F)(F)F)ccc32)C1 FC(F)(F)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C(=O)N1CCCc2cc(ccc21)[*:1]
CC[C@H]1Sc2ccc(S(=O)(=O)Nc3cccc(C(C)=O)c3)cc2NC1=O CC(=O)[*:1] CC[C@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)Nc1cccc(c1)[*:1]
COC[C@H](C)NC(=O)N1CC[C@](F)(C(=O)OC)C1 COC[C@H](C)[*:1] COC(=O)[C@@]1(F)CCN(C1)C(=O)N[*:1]
COC[C@H](C)NC(=O)N1CC[C@](F)(C(=O)OC)C1 COC[*:1] COC(=O)[C@@]1(F)CCN(C1)C(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)N1CC[C@](F)(C(=O)OC)C1 COC(=O)[*:1] COC[C@H](C)NC(=O)N1CC[C@](F)(C1)[*:1]
CCN(C(=O)Cn1nc(C)c2ccccc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)Cn1nc(C)c2ccccc2c1=O)[*:1]
Cc1ccc(-c2cnc(CCC(=O)OCc3cc(F)cc4c3OCOC4)o2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])OCc1cc(F)cc2COCOc21
CNc1ccc(C(F)(F)F)cc1C(=O)N(C)CCO OCC[*:1] CNc1ccc(cc1C(=O)N(C)[*:1])C(F)(F)F
CNc1ccc(C(F)(F)F)cc1C(=O)N(C)CCO FC(F)(F)[*:1] CNc1ccc(cc1C(=O)N(C)CCO)[*:1]
CCOC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1 CCOC(=O)c1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[*:1]
CCOC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1 CCOC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(c1)[*:1]
CCOC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CCOC(=O)c1cccc(c1)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
CCc1cccc(C)c1NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 O=[N+]([O-])[*:1] CCc1cccc(C)c1NCc1nc(no1)-c1ccc(cc1)[*:1]
COCCn1nc(C)c(NC(=O)COc2ccc(F)cc2F)c1C Fc1ccc(c(F)c1)[*:1] COCCn1nc(C)c(NC(=O)CO[*:1])c1C
COCCn1nc(C)c(NC(=O)COc2ccc(F)cc2F)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)COc1ccc(F)cc1F)[*:1]
COCCn1nc(C)c(NC(=O)COc2ccc(F)cc2F)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)COc1ccc(F)cc1F
COc1cc(C)c(C(=O)NCC(=O)Nc2c(C)cccc2C)cc1OC Cc1cccc(C)c1[*:1] COc1cc(C)c(cc1OC)C(=O)NCC(=O)N[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCc2ccnn2C)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)NCc1ccnn1C
CC(=O)Nc1c(C)cc(NC(=O)NCc2ccnn2C)cc1C Cn1nccc1C[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCc2ccnn2C)cc1C Cn1nccc1[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)NC[*:1]
CC(=O)O[C@@H]1CCCC/C1=C\C(C)C CC(=O)O[*:1] CC(C)/C=C1\CCCC[C@H]1[*:1]
CC(=O)O[C@@H]1CCCC/C1=C\C(C)C CC(C)[*:1] CC(=O)O[C@@H]1CCCCC1=C[*:1]
Nc1ccc([C@](O)(c2nc3ccccc3s2)C(F)(F)F)c2c1CCCC2 FC(F)(F)[*:1] Nc1ccc(c2CCCCc12)[C@](O)(c1nc2ccccc2s1)[*:1]
COCc1nc(C)cc(N2C[C@@H](c3ccccc3C)C[C@@H]2C)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N1C[C@H](C[C@@H]1C)c1ccccc1C
COCc1nc(C)cc(N2C[C@@H](c3ccccc3C)C[C@@H]2C)n1 Cc1ccccc1[*:1] COCc1nc(C)cc(n1)N1C[C@@H](C[C@@H]1C)[*:1]
O=C(CNC(=O)c1cccc(Cl)c1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 Clc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])NNC(=O)c1ccc(s1)-c1ccc(F)cc1
O=C(CNC(=O)c1cccc(Cl)c1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] O=C(CNC(=O)c1cccc(Cl)c1)NNC(=O)c1ccc(s1)[*:1]
CSc1nsc(SCCC(=O)Nc2nccs2)n1 c1csc(n1)[*:1] CSc1nsc(n1)SCCC(=O)N[*:1]
CCOc1ccccc1CCC(=O)NNC(=O)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] CCOc1ccccc1CCC(=O)NNC(=O)[*:1]
CCOc1ccccc1CCC(=O)NNC(=O)c1cc(C)oc1C CCO[*:1] Cc1cc(C(=O)NNC(=O)CCc2ccccc2[*:1])c(C)o1
CCCCn1ncc2c1NC(=O)C[C@H]2c1c[nH]nc1C1CCCCC1 CCC[*:1] O=C1C[C@@H](c2c[nH]nc2C2CCCCC2)c2cnn(C[*:1])c2N1
CCCCn1ncc2c1NC(=O)C[C@H]2c1c[nH]nc1C1CCCCC1 CCCC[*:1] O=C1C[C@@H](c2c[nH]nc2C2CCCCC2)c2cnn(c2N1)[*:1]
CCCCn1ncc2c1NC(=O)C[C@H]2c1c[nH]nc1C1CCCCC1 C1CCC(CC1)[*:1] CCCCn1ncc2c1NC(=O)C[C@H]2c1c[nH]nc1[*:1]
C[NH+](C)CCSCc1cc(C#CC[NH3+])cs1 C[NH+](C)CC[*:1] [NH3+]CC#Cc1csc(c1)CS[*:1]
C[NH+](C)CCSCc1cc(C#CC[NH3+])cs1 [NH3+]CC#C[*:1] C[NH+](C)CCSCc1cc(cs1)[*:1]
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3)cc21)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)C(=O)COc1ccc(F)cc1)N[*:1]
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3)cc21)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(COc1ccc(F)cc1)c1ccc2OCC(=O)N(C[*:1])c2c1
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3)cc21)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=C(COc1ccc(F)cc1)c1ccc2OCC(=O)N(c2c1)[*:1]
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3)cc21)Nc1ccccc1 Fc1ccc(cc1)OC[*:1] O=C(CN1C(=O)COc2ccc(cc21)C(=O)[*:1])Nc1ccccc1
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3)cc21)Nc1ccccc1 Fc1ccc(cc1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)C(=O)CO[*:1])Nc1ccccc1
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3)cc21)Nc1ccccc1 Fc1ccc(cc1)O[*:1] O=C(CN1C(=O)COc2ccc(cc21)C(=O)C[*:1])Nc1ccccc1
CC(C)[NH+](CCNC(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1)C(C)C O=C([O-])[*:1] CC(C)[NH+](CCNC(=O)N[C@@H]1C=C[C@H](C1)[*:1])C(C)C
CC(C)[NH+](CCNC(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1)C(C)C CC(C)[*:1] CC(C)[NH+](CCNC(=O)N[C@@H]1C=C[C@@H](C1)C(=O)[O-])[*:1]
Cc1cc(=O)c(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
O=C([O-])[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1cccnc1Cl O=C([O-])[*:1] O=S(=O)(N[C@@H]1CCCCC[C@H]1[*:1])c1cccnc1Cl
O=C([O-])[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1cccnc1Cl Clc1ncccc1[*:1] O=C([O-])[C@@H]1CCCCC[C@H]1NS(=O)(=O)[*:1]
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCSC[C@H]1C[NH+]1CCCCC1 O=S(=O)(N1CCCC1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCCSC[C@H]1C[NH+]1CCCCC1
CC(=O)c1cccc(OCC(=O)N2CCOCC2)c1 CC(=O)[*:1] O=C(COc1cccc(c1)[*:1])N1CCOCC1
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc(F)cc3Cl)C2)c(C)c1 Fc1ccc(c(Cl)c1)[*:1] COc1ccc(NC(=O)CC[C@@H]2CCCN(C2)C(=O)[*:1])c(C)c1
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc(F)cc3Cl)C2)c(C)c1 COc1ccc(c(C)c1)[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1Cl)N[*:1]
O=C(CNC(=O)c1cnc2c(c1)NC(=O)CO2)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C1COc2ncc(cc2N1)C(=O)NCC(=O)N[*:1]
O=C(CNC(=O)c1cnc2c(c1)NC(=O)CO2)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNC(=O)c1cnc2OCC(=O)Nc2c1)NC[*:1]
C#Cc1cccc(NC(=S)NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 Clc1ccc(cc1)[*:1] C#Cc1cccc(c1)NC(=S)NNC(=O)c1cnn(c1)[*:1]
C#Cc1cccc(NC(=S)NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 C#Cc1cccc(c1)[*:1] O=C(NNC(=S)N[*:1])c1cnn(c1)-c1ccc(Cl)cc1
N#Cc1csc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1csc(c1)C(=O)N(Cc1ccc(F)cc1)C[*:1]
N#Cc1csc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)c1 FC(F)(F)C[*:1] N#Cc1csc(c1)C(=O)N(Cc1ccc(F)cc1)[*:1]
N#Cc1csc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)c1 Fc1ccc(cc1)[*:1] N#Cc1csc(c1)C(=O)N(CC(F)(F)F)C[*:1]
N#Cc1csc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)c1 N#Cc1csc(c1)[*:1] O=C(N(Cc1ccc(F)cc1)CC(F)(F)F)[*:1]
O=C(NC[C@@H]1CCCO1)N(Cc1ccoc1)C1CCCCC1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])N(Cc1ccoc1)C1CCCCC1
O=C(NC[C@@H]1CCCO1)N(Cc1ccoc1)C1CCCCC1 c1cc(co1)[*:1] O=C(NC[C@@H]1CCCO1)N(C[*:1])C1CCCCC1
O=C(NC[C@@H]1CCCO1)N(Cc1ccoc1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NC[C@@H]1CCCO1)N(Cc1ccoc1)[*:1]
O=C(NC[C@@H]1CCCO1)N(Cc1ccoc1)C1CCCCC1 c1cc(co1)C[*:1] O=C(NC[C@@H]1CCCO1)N(C1CCCCC1)[*:1]
O=C(NC[C@@H]1CCCO1)N(Cc1ccoc1)C1CCCCC1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])N(Cc1ccoc1)C1CCCCC1
CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21 CCN(CC)C(=O)C[*:1] O=C(C(=O)N1CCCCC1)c1cn(c2ccccc12)[*:1]
CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21 CCN(CC)C(=O)[*:1] O=C(C(=O)N1CCCCC1)c1cn(C[*:1])c2ccccc12
COc1ccc(NC(=O)CSc2ccc(C(C)=O)cc2F)cc1C CC(=O)[*:1] COc1ccc(cc1C)NC(=O)CSc1ccc(cc1F)[*:1]
C[C@H]1C[C@@H]([NH3+])CN(Cc2csc(-c3ccccn3)n2)C1 c1ccc(nc1)[*:1] C[C@H]1C[C@@H]([NH3+])CN(Cc2csc(n2)[*:1])C1
Cc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1[N+](=O)[O-] Oc1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])-c1csc(n1)[*:1]
Cc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])-c1csc(n1)-c1ccc(O)cc1
C=C(Br)COc1ccc(C(=O)OC)cc1OC C=C(Br)[*:1] COC(=O)c1ccc(OC[*:1])c(c1)OC
C=C(Br)COc1ccc(C(=O)OC)cc1OC C=C(Br)CO[*:1] COC(=O)c1ccc(c(c1)OC)[*:1]
C=C(Br)COc1ccc(C(=O)OC)cc1OC COC(=O)[*:1] C=C(Br)COc1ccc(cc1OC)[*:1]
C=C(Br)COc1ccc(C(=O)OC)cc1OC C=C(Br)C[*:1] COC(=O)c1ccc(O[*:1])c(c1)OC
CCc1nc(CCNCc2ccn(-c3ccccc3)n2)cs1 CCc1nc(cs1)[*:1] c1ccc(cc1)-n1ccc(CNCC[*:1])n1
CCc1nc(CCNCc2ccn(-c3ccccc3)n2)cs1 c1ccc(cc1)[*:1] CCc1nc(cs1)CCNCc1ccn(n1)[*:1]
O=C(CSCc1ccccn1)Nc1ccccc1-c1ncc[nH]1 c1ccc(nc1)[*:1] O=C(CSC[*:1])Nc1ccccc1-c1ncc[nH]1
O=C(CSCc1ccccn1)Nc1ccccc1-c1ncc[nH]1 c1c[nH]c(n1)[*:1] O=C(CSCc1ccccn1)Nc1ccccc1[*:1]
O=C(CSCc1ccccn1)Nc1ccccc1-c1ncc[nH]1 c1ccc(C[*:1])nc1 O=C(CS[*:1])Nc1ccccc1-c1ncc[nH]1
COc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1
COc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1S(=O)(=O)N(C)C c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1S(=O)(=O)N(C)C)C(=O)N1CCCC[C@H]1[*:1]
O=C([C@H]1COc2ccccc2O1)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1 C1CO[C@@H](C1)[*:1] O=C([C@H]1COc2ccccc2O1)N(C[*:1])c1nc2c(Cl)cccc2s1
O=C([C@H]1COc2ccccc2O1)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1 C1CO[C@@H](C1)C[*:1] O=C([C@H]1COc2ccccc2O1)N(c1nc2c(Cl)cccc2s1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)NC[C@H](C(C)C)N1CCOCC1 Cc1cccc(c1)C[*:1] CCN(C(=O)NC[C@H](C(C)C)N1CCOCC1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)NC[C@H](C(C)C)N1CCOCC1 C1CN(CCO1)[*:1] CCN(Cc1cccc(C)c1)C(=O)NC[C@H](C(C)C)[*:1]
CCN(Cc1cccc(C)c1)C(=O)NC[C@H](C(C)C)N1CCOCC1 Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)NC[C@H](C(C)C)N1CCOCC1
CCN(Cc1cccc(C)c1)C(=O)NC[C@H](C(C)C)N1CCOCC1 CC(C)[*:1] CCN(Cc1cccc(C)c1)C(=O)NC[C@H](N1CCOCC1)[*:1]
CC(C)C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1CO)N1CCOCC1 CC(C)C[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])N[C@H]1CCCC[C@@H]1CO
CC(C)C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1CO)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1CO)[*:1]
CC(C)C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1CO)N1CCOCC1 OC[C@H]1CCCC[C@@H]1[*:1] CC(C)C[C@H](CNC(=O)N[*:1])N1CCOCC1
CC(C)C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1CO)N1CCOCC1 CC(C)[*:1] O=C(NC[C@@H](C[*:1])N1CCOCC1)N[C@H]1CCCC[C@@H]1CO
Cc1cccc(C(=O)N[C@@H](C)C(=O)NCCOc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)C(=O)NCCO[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)NCCOc2ccc(Cl)cc2)c1 Clc1ccc(cc1)O[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)C(=O)NCC[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)NCCOc2ccc(Cl)cc2)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCCOc1ccc(Cl)cc1
CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)N[C@H]1CCC[C@H]1C c1ccc(cc1)O[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)N[C@H]1CCC[C@H]1C
CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)N[C@H]1CCC[C@H]1C CC(C)[*:1] C[C@@H]1CCC[C@@H]1NC(=O)[C@H](NC(=O)COc1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)N[C@H]1CCC[C@H]1C c1ccc(cc1)OC[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N[C@H]1CCC[C@H]1C
CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)N[C@H]1CCC[C@H]1C c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CO[*:1])C(=O)N[C@H]1CCC[C@H]1C
CCN(CCO)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 OCC[*:1] CCN(C(=O)NCc1cc(Cl)c2OCCCOc2c1)[*:1]
Cn1cc(SCC(=O)Nc2ccc(Br)cc2)c2ccccc21 Brc1ccc(cc1)[*:1] Cn1cc(SCC(=O)N[*:1])c2ccccc21
C[C@@H](CNC(=O)N[C@H](C)CO)Oc1ccccc1Cl C[C@H](CO)[*:1] C[C@@H](CNC(=O)N[*:1])Oc1ccccc1Cl
C=C(C)n1c(=O)n(CCOc2ccc(OC)cc2)c2cc(C)c(C)cc21 COc1ccc(cc1)[*:1] C=C(C)n1c(=O)n(CCO[*:1])c2cc(C)c(C)cc21
C=C(C)n1c(=O)n(CCOc2ccc(OC)cc2)c2cc(C)c(C)cc21 C=C(C)[*:1] COc1ccc(cc1)OCCn1c(=O)n(c2cc(C)c(C)cc21)[*:1]
CCCC(=O)N1CCC(c2ccccc2)CC1 CCC[*:1] O=C(N1CCC(CC1)c1ccccc1)[*:1]
C[C@H](NC(=O)C(=O)N1CCOCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)N1CCOCC1)[C@@H](c1cccs1)N1CCN(CC1)[*:1]
C[C@H](NC(=O)C(=O)N1CCOCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 c1csc(c1)[*:1] C[C@H](NC(=O)C(=O)N1CCOCC1)[C@@H](N1CCN(CC1)c1ccccc1)[*:1]
O=C(Nc1nc(-c2ccccc2F)n[n-]1)c1ccncc1Cl Fc1ccccc1[*:1] O=C(Nc1nc(n[n-]1)[*:1])c1ccncc1Cl
O=C(Nc1nc(-c2ccccc2F)n[n-]1)c1ccncc1Cl Clc1cnccc1[*:1] O=C(Nc1nc(n[n-]1)-c1ccccc1F)[*:1]
CC(=O)c1ccccc1OC(=O)c1ccco1 CC(=O)[*:1] O=C(Oc1ccccc1[*:1])c1ccco1
CC(=O)c1ccccc1OC(=O)c1ccco1 c1coc(c1)[*:1] CC(=O)c1ccccc1OC(=O)[*:1]
CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(Cl)c2ccccc2c1O CC(C)(C)S(=O)(=O)[*:1] O=C(NCC[*:1])c1cc(Cl)c2ccccc2c1O
CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(Cl)c2ccccc2c1O CC(C)(C)[*:1] O=C(NCCS(=O)(=O)[*:1])c1cc(Cl)c2ccccc2c1O
CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(Cl)c2ccccc2c1O CC(C)(C)S(=O)(=O)C[*:1] O=C(NC[*:1])c1cc(Cl)c2ccccc2c1O
COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H]([NH2+][C@H]1CCC[C@H](C1)[NH+](C)C)[*:1]
Cc1cccc(C)c1NC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2 Cc1cccc(C)c1[*:1] CN1CCc2nc(SCC(=O)N[*:1])c(C#N)c(-c3cccs3)c2C1
Cc1cccc(C)c1NC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2 c1csc(c1)[*:1] Cc1cccc(C)c1NC(=O)CSc1nc2CCN(C)Cc2c(c1C#N)[*:1]
Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3cccc(Cl)c3)c12 Clc1cccc(c1)[*:1] Cc1noc2nc(cc(C(=O)N[C@@H](C)[*:1])c12)C1CC1
Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3cccc(Cl)c3)c12 C1CC1[*:1] Cc1noc2nc(cc(C(=O)N[C@@H](C)c3cccc(Cl)c3)c12)[*:1]
CCc1ccc(CC)c(NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)c1 CC(C)(C)[*:1] CCc1ccc(CC)c(c1)NC(=O)CC1CN(C1)C(=O)O[*:1]
Cc1c(C(=O)N(C)C[C@H](O)C2CC2)oc2ccccc12 C1CC1[*:1] Cc1c(oc2ccccc12)C(=O)N(C)C[C@H](O)[*:1]
CC(C)n1cnnc1[S@@](=O)[C@H](C)C(=O)NCC1CCCCC1 C1CCC(CC1)C[*:1] CC(C)n1cnnc1[S@@](=O)[C@H](C)C(=O)N[*:1]
CC(C)n1cnnc1[S@@](=O)[C@H](C)C(=O)NCC1CCCCC1 CC(C)[*:1] C[C@H](C(=O)NCC1CCCCC1)[S@](=O)c1nncn1[*:1]
CC(C)n1cnnc1[S@@](=O)[C@H](C)C(=O)NCC1CCCCC1 C1CCC(CC1)[*:1] CC(C)n1cnnc1[S@@](=O)[C@H](C)C(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 Fc1ccc(F)c(c1)[*:1] CCc1nn(C)cc1CNC(=O)[C@H]1CC(=NO1)[*:1]
CCc1nn(C)cc1CNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 CCc1nn(C)cc1[*:1] O=C(NC[*:1])[C@H]1CC(=NO1)c1cc(F)ccc1F
Cc1cccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2ccccc2F)c1 Cc1cccc(c1)[*:1] O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1C[*:1]
Cc1cccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2ccccc2F)c1 Fc1ccccc1[*:1] Cc1cccc(c1)CN1C(=O)CC[C@H]1CC[NH2+]C[*:1]
Cc1cccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2ccccc2F)c1 Fc1ccccc1C[*:1] Cc1cccc(c1)CN1C(=O)CC[C@H]1CC[NH2+][*:1]
Cc1cccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2ccccc2F)c1 Cc1cccc(c1)C[*:1] O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1[*:1]
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)n1 CC(C)[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)[N-]c1nn(cc1C#N)[*:1]
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)n1 CS(=O)(=O)[*:1] CC(C)n1cc(C#N)c(n1)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
Cn1c(SCC(=O)NC2CCCC2)nnc1-c1nonc1N Nc1nonc1[*:1] Cn1c(nnc1[*:1])SCC(=O)NC1CCCC1
Cn1c(SCC(=O)NC2CCCC2)nnc1-c1nonc1N C1CCC(C1)[*:1] Cn1c(nnc1-c1nonc1N)SCC(=O)N[*:1]
C#CCN1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 FC(F)(F)[*:1] C#CCN1CCN(CC1)C(=O)N[C@@H]1CCN(C[*:1])C1=O
C#CCN1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 C#CC[*:1] O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 FC(F)(F)C[*:1] C#CCN1CCN(CC1)C(=O)N[C@@H]1CCN(C1=O)[*:1]
NC(=O)c1ccc(Oc2cccc(C(=O)[O-])c2)nc1 NC(=O)[*:1] O=C([O-])c1cccc(c1)Oc1ccc(cn1)[*:1]
NC(=O)c1ccc(Oc2cccc(C(=O)[O-])c2)nc1 O=C([O-])[*:1] NC(=O)c1ccc(nc1)Oc1cccc(c1)[*:1]
CC[C@@H](NC(=O)Nc1cnn(C)c1)c1ccc(Br)cc1 Cn1cc(cn1)[*:1] CC[C@@H](NC(=O)N[*:1])c1ccc(Br)cc1
C[C@@H]1CN(C)CCN1C(=O)/C=C/c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H]1CN(C)CCN1C(=O)/C=C/c1cnn(c1)[*:1]
O=C(CCCn1ccnn1)NCC(=O)Nc1ccc(F)cc1 c1cn(CC[*:1])nn1 O=C(C[*:1])NCC(=O)Nc1ccc(F)cc1
O=C(CCCn1ccnn1)NCC(=O)Nc1ccc(F)cc1 c1cn(nn1)[*:1] O=C(CCC[*:1])NCC(=O)Nc1ccc(F)cc1
O=C(CCCn1ccnn1)NCC(=O)Nc1ccc(F)cc1 c1cn(C[*:1])nn1 O=C(CC[*:1])NCC(=O)Nc1ccc(F)cc1
O=C(CCCn1ccnn1)NCC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCCn1ccnn1)NCC(=O)N[*:1]
N#CC1([C@H](O)c2ccccc2OC(F)(F)F)CCCCC1 FC(F)(F)[*:1] N#CC1(CCCCC1)[C@H](O)c1ccccc1O[*:1]
N#CC1([C@H](O)c2ccccc2OC(F)(F)F)CCCCC1 FC(F)(F)O[*:1] N#CC1(CCCCC1)[C@H](O)c1ccccc1[*:1]
CC(C)N(CC1CC1)C(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC(C)N(CC1CC1)C(=O)N[C@@H]1C=C[C@H](C1)[*:1]
CC(C)N(CC1CC1)C(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 CC(C)[*:1] O=C([O-])[C@H]1C=C[C@H](C1)NC(=O)N(CC1CC1)[*:1]
CC(C)N(CC1CC1)C(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 C1CC1[*:1] CC(C)N(C[*:1])C(=O)N[C@@H]1C=C[C@@H](C1)C(=O)[O-]
CC(C)N(CC1CC1)C(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 C1CC1C[*:1] CC(C)N(C(=O)N[C@@H]1C=C[C@@H](C1)C(=O)[O-])[*:1]
CC(C)COC(=O)N1CCC[NH+](Cc2cnc3ccsc3c2)CC1 CC(C)C[*:1] O=C(O[*:1])N1CCC[NH+](CC1)Cc1cnc2ccsc2c1
CC(C)COC(=O)N1CCC[NH+](Cc2cnc3ccsc3c2)CC1 CC(C)[*:1] O=C(OC[*:1])N1CCC[NH+](CC1)Cc1cnc2ccsc2c1
Cc1ccc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)COC(=O)c1cn(nc1[*:1])-c1ccccc1
Cc1ccc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])c1cn(nc1-c1ccccc1)-c1ccccc1
Cc1ccc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C(OC[*:1])c1cn(nc1-c1ccccc1)-c1ccccc1
Cc1ccc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)COC(=O)c1cn(nc1-c1ccccc1)[*:1]
Cc1ccc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 Cc1ccc(cc1)C(=O)C[*:1] O=C(O[*:1])c1cn(nc1-c1ccccc1)-c1ccccc1
O=C1N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] O=C1N[C@@H](CC2C[NH+]=c3ccccc3=2)C(=O)N1Cc1nc(no1)[*:1]
C/N=C1/S[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)N1C c1ccc(cc1)O[*:1] C/N=C1/S[C@@H](CC(=O)Nc2ccc(cc2)[*:1])C(=O)N1C
C/N=C1/S[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)N1C c1ccc(cc1)[*:1] C/N=C1/S[C@@H](CC(=O)Nc2ccc(cc2)O[*:1])C(=O)N1C
C[NH+](C)[C@H](CNCc1c[nH]nc1C(C)(C)C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNCc1c[nH]nc1C(C)(C)C)[*:1]
C[NH+](C)[C@H](CNCc1c[nH]nc1C(C)(C)C)c1ccc(Cl)cc1 CC(C)(C)[*:1] C[NH+](C)[C@H](CNCc1c[nH]nc1[*:1])c1ccc(Cl)cc1
Cc1noc(CN2CCN(CN3C(=O)C[C@](C)(CC(C)C)C3=O)CC2)n1 Cc1noc(C[*:1])n1 CC(C)C[C@@]1(C)CC(=O)N(CN2CCN(CC2)[*:1])C1=O
Cc1noc(CN2CCN(CN3C(=O)C[C@](C)(CC(C)C)C3=O)CC2)n1 CC(C)C[*:1] Cc1noc(CN2CCN(CC2)CN2C(=O)C[C@](C)(C2=O)[*:1])n1
Cc1noc(CN2CCN(CN3C(=O)C[C@](C)(CC(C)C)C3=O)CC2)n1 Cc1noc(n1)[*:1] CC(C)C[C@@]1(C)CC(=O)N(CN2CCN(CC2)C[*:1])C1=O
Cc1noc(CN2CCN(CN3C(=O)C[C@](C)(CC(C)C)C3=O)CC2)n1 CC(C)[*:1] Cc1noc(CN2CCN(CC2)CN2C(=O)C[C@](C)(C[*:1])C2=O)n1
C[C@@H](C[NH2+][C@@H](C)c1ccccc1)C(N)=O C[C@@H](C(N)=O)[*:1] C[C@H]([NH2+]C[*:1])c1ccccc1
C[C@@H](C[NH2+][C@@H](C)c1ccccc1)C(N)=O NC(=O)[*:1] C[C@H]([NH2+]C[C@H](C)[*:1])c1ccccc1
CC(C)NC(=O)[C@H](C)n1c2ccccc2c2cn[nH]c(=O)c21 CC(C)[*:1] C[C@@H](C(=O)N[*:1])n1c2ccccc2c2cn[nH]c(=O)c21
CC(C)NC(=O)[C@H](C)n1c2ccccc2c2cn[nH]c(=O)c21 CC(C)NC(=O)[*:1] C[C@H](n1c2ccccc2c2cn[nH]c(=O)c21)[*:1]
CCCc1ccccc1NC(=O)C(=O)N[C@H](CO)c1ccc(Cl)cc1 CCC[*:1] O=C(Nc1ccccc1[*:1])C(=O)N[C@H](CO)c1ccc(Cl)cc1
CCCc1ccccc1NC(=O)C(=O)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCc1ccccc1NC(=O)C(=O)N[C@H](CO)[*:1]
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc(C)sc1C O=C(N1CCOCC1)[*:1] COc1ccc(cc1NC(=O)c1cc(C)sc1C)[*:1]
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc(C)sc1C Cc1cc(c(C)s1)[*:1] COc1ccc(cc1NC(=O)[*:1])C(=O)N1CCOCC1
COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCc4ccc(C#N)cc4)nc3c2)cc1 N#Cc1ccc(cc1)CS[*:1] COc1ccc(cc1)[N-]S(=O)(=O)c1ccc2oc(nc2c1)[*:1]
COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCc4ccc(C#N)cc4)nc3c2)cc1 COc1ccc(cc1)[*:1] N#Cc1ccc(cc1)CSc1nc2cc(ccc2o1)S(=O)(=O)[N-][*:1]
COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCc4ccc(C#N)cc4)nc3c2)cc1 N#Cc1ccc(cc1)C[*:1] COc1ccc(cc1)[N-]S(=O)(=O)c1ccc2oc(nc2c1)S[*:1]
COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCc4ccc(C#N)cc4)nc3c2)cc1 N#Cc1ccc(cc1)[*:1] COc1ccc(cc1)[N-]S(=O)(=O)c1ccc2oc(nc2c1)SC[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N1CCC[C@@H](CC1)[NH+]1CCCC1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1C CC(C)[*:1] Cc1ccc(cc1C)NC(=O)C(=O)N[C@H](c1ccc2OCCOc2c1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1C Cc1ccc(cc1C)[*:1] CC(C)[C@H](NC(=O)C(=O)N[*:1])c1ccc2OCCOc2c1
O=C(Cn1c([O-])c2[nH]cc(-c3ccccc3)c2nc1=O)N1CCc2ccccc2C1 c1ccc(cc1)[*:1] O=C(Cn1c([O-])c2[nH]cc(c2nc1=O)[*:1])N1CCc2ccccc2C1
CC[C@H](CSC)N(C)C(=O)NCc1ccc(OC)c(Cl)c1 CSC[*:1] CC[C@H](N(C)C(=O)NCc1ccc(OC)c(Cl)c1)[*:1]
CCOC(=O)CCNc1ccc(Cl)cc1C(F)(F)F CCOC(=O)C[*:1] FC(F)(F)c1cc(Cl)ccc1NC[*:1]
CCOC(=O)CCNc1ccc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] CCOC(=O)CCNc1ccc(Cl)cc1[*:1]
CCOC(=O)CCNc1ccc(Cl)cc1C(F)(F)F CCOC(=O)[*:1] FC(F)(F)c1cc(Cl)ccc1NCC[*:1]
C[C@H](Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1)c1cn2ccsc2n1 O=C([O-])[*:1] C[C@H](Nc1nccc(n1)-c1cc(ccn1)[*:1])c1cn2ccsc2n1
C[C@H](Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1)c1cn2ccsc2n1 c1cn2cc(nc2s1)[*:1] C[C@H](Nc1nccc(n1)-c1cc(ccn1)C(=O)[O-])[*:1]
COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1Cl O=C([O-])[*:1] COc1c(Cl)cc(cc1Cl)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)s1 CCc1ccc(s1)[*:1] COC(=O)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
CCc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)s1 CCc1ccc(C[*:1])s1 COC(=O)c1ccc(cc1)NC(=O)C(=O)N[*:1]
CCc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)s1 COC(=O)[*:1] CCc1ccc(CNC(=O)C(=O)Nc2ccc(cc2)[*:1])s1
CCOC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 CCOC(=O)[*:1] C[C@H](C[*:1])[C@H]1CCCN(C1)C(=O)c1cccc(c1)-c1ccoc1
CCOC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 c1cc(co1)[*:1] CCOC(=O)C[C@@H](C)[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CCOC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 CCOC(=O)C[*:1] C[C@@H]([C@H]1CCCN(C1)C(=O)c1cccc(c1)-c1ccoc1)[*:1]
CCOC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 CCOC(=O)C[C@@H](C)[*:1] O=C(c1cccc(c1)-c1ccoc1)N1CCC[C@@H](C1)[*:1]
CSCCn1/c(=N/C(=O)c2ccc(OC(C)C)cc2)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] CSCCn1/c(=N/C(=O)c2ccc(cc2)OC(C)C)sc2cc(ccc21)[*:1]
CSCCn1/c(=N/C(=O)c2ccc(OC(C)C)cc2)sc2cc(S(C)(=O)=O)ccc21 CSCC[*:1] CC(C)Oc1ccc(cc1)C(=O)/N=c1\sc2cc(ccc2n1[*:1])S(C)(=O)=O
CSCCn1/c(=N/C(=O)c2ccc(OC(C)C)cc2)sc2cc(S(C)(=O)=O)ccc21 CC(C)[*:1] CSCCn1/c(=N/C(=O)c2ccc(cc2)O[*:1])sc2cc(ccc21)S(C)(=O)=O
CSCCn1/c(=N/C(=O)c2ccc(OC(C)C)cc2)sc2cc(S(C)(=O)=O)ccc21 CSC[*:1] CC(C)Oc1ccc(cc1)C(=O)/N=c1\sc2cc(ccc2n1C[*:1])S(C)(=O)=O
CSCCn1/c(=N/C(=O)c2ccc(OC(C)C)cc2)sc2cc(S(C)(=O)=O)ccc21 CC(C)O[*:1] CSCCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cc(ccc21)S(C)(=O)=O
CSCCn1/c(=N/C(=O)c2ccc(OC(C)C)cc2)sc2cc(S(C)(=O)=O)ccc21 CC(C)Oc1ccc(cc1)[*:1] CSCCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c3c(c2)OCO3)cc1 CC(=O)[*:1] C[C@@H](OC(=O)c1cc(Cl)c2OCOc2c1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c3c(c2)OCO3)cc1 CC(=O)c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cc(Cl)c2OCOc2c1)C(=O)N[*:1]
COCCN1CCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1=O COC[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)N1CCN(C[*:1])C(=O)C1
COCCN1CCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1=O COCC[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1=O Cc1cc(C)cc(c1)[*:1] COCCN1CCN(CC1=O)C(=O)N[C@@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)Nc1ccccc1C#N N#Cc1ccccc1[*:1] Cc1ccc(cc1C(=O)NC(=S)N[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)Nc1ccccc1C#N O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1C(=O)NC(=S)Nc1ccccc1C#N)[*:1]
C[C@H]1CN(C(=O)Cn2cc(SCC(=O)NC(C)(C)C)c3ccccc32)C[C@H](C)O1 CC(C)(C)NC(=O)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Cn1cc(SC[*:1])c2ccccc21
C[C@H]1CN(C(=O)Cn2cc(SCC(=O)NC(C)(C)C)c3ccccc32)C[C@H](C)O1 CC(C)(C)NC(=O)C[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Cn1cc(S[*:1])c2ccccc21
C[C@H]1CN(C(=O)Cn2cc(SCC(=O)NC(C)(C)C)c3ccccc32)C[C@H](C)O1 CC(C)(C)NC(=O)CS[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Cn1cc(c2ccccc21)[*:1]
C[C@H]1CN(C(=O)Cn2cc(SCC(=O)NC(C)(C)C)c3ccccc32)C[C@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Cn1cc(SCC(=O)N[*:1])c2ccccc21
CCC[C@@H]1CN(C(=O)[C@H](C)OCCOC)CCO1 CCC[*:1] COCCO[C@@H](C)C(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)[C@H](C)OCCOC)CCO1 COCCO[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@H](C)[*:1]
CCC[C@@H]1CN(C(=O)[C@H](C)OCCOC)CCO1 COCC[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@H](C)O[*:1]
CCC[C@@H]1CN(C(=O)[C@H](C)OCCOC)CCO1 COC[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@H](C)OC[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)[C@@H]1C[C@]12CCc1ccccc12)[*:1]
COc1ccccc1[C@@H](C)NC(=O)Cc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccccc1[C@@H](C)NC(=O)Cc1csc(n1)[*:1]
COc1ccccc1[C@@H](C)NC(=O)Cc1csc(-c2ccccc2)n1 COc1ccccc1[*:1] C[C@@H](NC(=O)Cc1csc(n1)-c1ccccc1)[*:1]
Nc1c(NC[C@H]2CN3CCCC[C@@H]3CO2)ncnc1-n1cccn1 c1cnn(c1)[*:1] Nc1c(ncnc1[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
COc1cc(OC)cc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)c1 c1coc(c1)[*:1] COc1cc(cc(c1)C(=O)Nc1cc(nn1-c1nc2CCCCc2c(=O)[nH]1)[*:1])OC
COc1cc(OC)cc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)c1 COc1cc(cc(c1)[*:1])OC O=C(Nc1cc(nn1-c1nc2CCCCc2c(=O)[nH]1)-c1ccco1)[*:1]
C=CCSCC(=O)NCC(=O)Nc1cccc2c(=O)[nH]nc([O-])c12 C=CCSCC(=O)N[*:1] O=C(C[*:1])Nc1cccc2c(=O)[nH]nc([O-])c12
C=CCSCC(=O)NCC(=O)Nc1cccc2c(=O)[nH]nc([O-])c12 C=CCSC[*:1] O=C(CNC(=O)[*:1])Nc1cccc2c(=O)[nH]nc([O-])c12
C=CCSCC(=O)NCC(=O)Nc1cccc2c(=O)[nH]nc([O-])c12 C=CCS[*:1] O=C(C[*:1])NCC(=O)Nc1cccc2c(=O)[nH]nc([O-])c12
C=CCSCC(=O)NCC(=O)Nc1cccc2c(=O)[nH]nc([O-])c12 C=CC[*:1] O=C(CS[*:1])NCC(=O)Nc1cccc2c(=O)[nH]nc([O-])c12
COc1cc(C(=O)N[C@H](C(=O)NN)C(F)(F)F)cc(OC)c1OC FC(F)(F)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[C@H](C(=O)NN)[*:1]
COc1cc(C(=O)N[C@H](C(=O)NN)C(F)(F)F)cc(OC)c1OC NNC(=O)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[C@H](C(F)(F)F)[*:1]
CC(=O)Nc1cccc2c1CCN(C[C@@H](O)c1ccccc1)C2 c1ccc(cc1)[*:1] CC(=O)Nc1cccc2CN(CCc21)C[C@@H](O)[*:1]
CC(=O)Nc1cccc2c1CCN(C[C@@H](O)c1ccccc1)C2 CC(=O)N[*:1] O[C@H](CN1CCc2c(cccc2[*:1])C1)c1ccccc1
NC(=O)COc1cccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1 NC(=O)CO[*:1] O=c1[nH]c2ccc(cc2[nH]1)/N=C/c1cccc(c1)[*:1]
NC(=O)COc1cccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1 NC(=O)[*:1] O=c1[nH]c2ccc(cc2[nH]1)/N=C/c1cccc(c1)OC[*:1]
NC(=O)COc1cccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1 NC(=O)C[*:1] O=c1[nH]c2ccc(cc2[nH]1)/N=C/c1cccc(c1)O[*:1]
C#CCNC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O c1ccc(cc1)[*:1] C#CCNC(=O)CN1C(=O)N[C@H](C[*:1])C1=O
C#CCNC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O C#CCNC(=O)C[*:1] O=C1N[C@H](Cc2ccccc2)C(=O)N1[*:1]
C#CCNC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] C#CCNC(=O)CN1C(=O)N[C@H](C1=O)[*:1]
C#CCNC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O C#CCNC(=O)[*:1] O=C1N[C@H](Cc2ccccc2)C(=O)N1C[*:1]
C#CCNC(=O)CN1C(=O)N[C@H](Cc2ccccc2)C1=O C#CC[*:1] O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)N[*:1]
O=C([O-])C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 O=C([O-])[*:1] O=[N+]([O-])c1cc(ccc1N1CCC(CC1)[*:1])C(F)(F)F
O=C([O-])C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] O=C([O-])C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
O=C([O-])C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C([O-])C1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
C#Cc1cccc(NC(=O)C(=O)N[C@H](C)CCSCC)c1 CCS[*:1] C#Cc1cccc(c1)NC(=O)C(=O)N[C@H](C)CC[*:1]
C#Cc1cccc(NC(=O)C(=O)N[C@H](C)CCSCC)c1 CCSC[*:1] C#Cc1cccc(c1)NC(=O)C(=O)N[C@H](C)C[*:1]
C#Cc1cccc(NC(=O)C(=O)N[C@H](C)CCSCC)c1 CCSCC[*:1] C#Cc1cccc(c1)NC(=O)C(=O)N[C@H](C)[*:1]
CCOc1ccccc1C(=O)OC1CN(c2nc3ccc(F)cc3s2)C1 CCO[*:1] O=C(OC1CN(C1)c1nc2ccc(F)cc2s1)c1ccccc1[*:1]
CC(=O)c1cccc(C(=O)[O-])c1C O=C([O-])[*:1] CC(=O)c1cccc(c1C)[*:1]
CC(=O)c1cccc(C(=O)[O-])c1C CC(=O)[*:1] Cc1c(cccc1[*:1])C(=O)[O-]
CCn1cc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cn1 CCn1cc(cn1)[*:1] Cc1ccc(c(C)c1[N-]S(=O)(=O)[*:1])[N+](=O)[O-]
CCn1cc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cn1 O=[N+]([O-])[*:1] CCn1cc(cn1)S(=O)(=O)[N-]c1c(C)ccc(c1C)[*:1]
COC(C)(C)CNC(=O)c1ccc2[nH]c(=S)oc2c1 COC(C)(C)C[*:1] O=C(N[*:1])c1ccc2[nH]c(=S)oc2c1
COC(C)(C)CNC(=O)c1ccc2[nH]c(=S)oc2c1 COC(C)(C)[*:1] O=C(NC[*:1])c1ccc2[nH]c(=S)oc2c1
C[C@@H]([NH2+][C@@H]1CCCc2sccc21)[C@H](OC1CCOCC1)c1ccccc1 C1CC(CCO1)[*:1] C[C@@H]([NH2+][C@@H]1CCCc2sccc21)[C@H](O[*:1])c1ccccc1
C[C@@H]([NH2+][C@@H]1CCCc2sccc21)[C@H](OC1CCOCC1)c1ccccc1 C1CC(CCO1)O[*:1] C[C@@H]([NH2+][C@@H]1CCCc2sccc21)[C@H](c1ccccc1)[*:1]
C[C@@H]([NH2+][C@@H]1CCCc2sccc21)[C@H](OC1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H]1CCCc2sccc21)[C@H](OC1CCOCC1)[*:1]
Cc1ccc2c(CC(=O)NCc3ccccc3)c(Br)oc2c1 c1ccc(cc1)[*:1] Cc1ccc2c(CC(=O)NC[*:1])c(Br)oc2c1
Cc1ccc2c(CC(=O)NCc3ccccc3)c(Br)oc2c1 c1ccc(cc1)C[*:1] Cc1ccc2c(CC(=O)N[*:1])c(Br)oc2c1
COCc1nn2c(C(F)(F)F)cc(-c3cccnc3)nc2c1-c1ccc(OC)c(OC)c1 c1cncc(c1)[*:1] COCc1nn2c(cc(nc2c1-c1ccc(OC)c(c1)OC)[*:1])C(F)(F)F
COCc1nn2c(C(F)(F)F)cc(-c3cccnc3)nc2c1-c1ccc(OC)c(OC)c1 COC[*:1] COc1ccc(cc1OC)-c1c(nn2c(cc(nc12)-c1cccnc1)C(F)(F)F)[*:1]
COCc1nn2c(C(F)(F)F)cc(-c3cccnc3)nc2c1-c1ccc(OC)c(OC)c1 COc1ccc(cc1OC)[*:1] COCc1nn2c(cc(nc2c1[*:1])-c1cccnc1)C(F)(F)F
COCc1nn2c(C(F)(F)F)cc(-c3cccnc3)nc2c1-c1ccc(OC)c(OC)c1 FC(F)(F)[*:1] COCc1nn2c(cc(nc2c1-c1ccc(OC)c(c1)OC)-c1cccnc1)[*:1]
CC[C@H](NC(=O)NCc1ccnc(OC2CCC2)c1)c1ccncc1 C1CC(C1)[*:1] CC[C@H](NC(=O)NCc1ccnc(c1)O[*:1])c1ccncc1
CC[C@H](NC(=O)NCc1ccnc(OC2CCC2)c1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)NCc1ccnc(c1)OC1CCC1)[*:1]
CC[C@H](NC(=O)NCc1ccnc(OC2CCC2)c1)c1ccncc1 C1CC(C1)O[*:1] CC[C@H](NC(=O)NCc1ccnc(c1)[*:1])c1ccncc1
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] COc1cc(ccc1NC(=O)[C@@H](C)O[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)[*:1]
C[C@H]1C[C@H]1NC(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H]1C[C@H]1NC(=O)NCCNC(=O)c1ccc(cc1)[*:1]
CCCc1nc(N(C)Cc2ccco2)c2c(n1)c(C)nn2CC CCC[*:1] CCn1nc(C)c2nc(nc(c21)N(C)Cc1ccco1)[*:1]
CCCc1nc(N(C)Cc2ccco2)c2c(n1)c(C)nn2CC c1coc(c1)[*:1] CCCc1nc(c2c(n1)c(C)nn2CC)N(C)C[*:1]
CCCc1nc(N(C)Cc2ccco2)c2c(n1)c(C)nn2CC c1coc(c1)C[*:1] CCCc1nc(c2c(n1)c(C)nn2CC)N(C)[*:1]
Cc1cc(=O)oc(C)c1C(=O)N(C)CCCc1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] Cc1cc(=O)oc(C)c1C(=O)N(C)CCC[*:1]
COc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)s1 O=[N+]([O-])[*:1] COc1ccccc1-c1nnc(s1)C1CCN(CC1)S(=O)(=O)c1cc(ccc1C)[*:1]
COc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)s1 COc1ccccc1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)c1nnc(s1)[*:1])[N+](=O)[O-]
COc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)s1 Cc1ccc(cc1[*:1])[N+](=O)[O-] COc1ccccc1-c1nnc(s1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)c(C[NH+]2CCN(CC(=O)Nc3nncs3)CC2)c(C)c1 O=C(Nc1nncs1)[*:1] Cc1cc(C)c(C[NH+]2CCN(CC2)C[*:1])c(C)c1
Cc1cc(C)c(C[NH+]2CCN(CC(=O)Nc3nncs3)CC2)c(C)c1 c1nnc(s1)[*:1] Cc1cc(C)c(C[NH+]2CCN(CC2)CC(=O)N[*:1])c(C)c1
C[NH2+]CC(=O)N1C[C@H]2C[C@@H]1C(=O)N2c1cc(-c2ccccc2)ccc1OC c1ccc(cc1)[*:1] C[NH2+]CC(=O)N1C[C@H]2C[C@@H]1C(=O)N2c1cc(ccc1OC)[*:1]
CC[C@@H](C)C[C@]1(C[NH3+])CCC(C)(C)[C@@H]1O CC[C@@H](C)[*:1] CC1(C)CC[C@@](C[NH3+])(C[*:1])[C@H]1O
CC[C@@H](C)C[C@]1(C[NH3+])CCC(C)(C)[C@@H]1O CC[C@@H](C)C[*:1] CC1(C)CC[C@@](C[NH3+])([C@H]1O)[*:1]
Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)n(C)n1 O=[N+]([O-])[*:1] Cc1cc(C(=O)Nc2ccc(c(Cl)c2)[*:1])n(C)n1
NC(=O)[C@H]1CCCN(C(=O)C[S@](=O)Cc2ccc(F)c(F)c2)C1 NC(=O)[*:1] O=C(C[S@](=O)Cc1ccc(F)c(F)c1)N1CCC[C@@H](C1)[*:1]
CCOc1ccc(CC(=O)Nc2cccc(Cl)c2-n2cncn2)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1cccc(Cl)c1-n1cncn1
CCOc1ccc(CC(=O)Nc2cccc(Cl)c2-n2cncn2)cc1 c1ncn(n1)[*:1] CCOc1ccc(cc1)CC(=O)Nc1cccc(Cl)c1[*:1]
C#Cc1cccc(N(C(=O)C[C@H]2c3ccccc3CCN2C(C)=O)C(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(C(=O)C[C@H]1c2ccccc2CCN1C(C)=O)[*:1]
C#Cc1cccc(N(C(=O)C[C@H]2c3ccccc3CCN2C(C)=O)C(C)C)c1 C#Cc1cccc(c1)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C(C)C)[*:1]
C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc(c1)[*:1]
Cn1cc([C@H]2CN(C(=O)c3sccc3C#N)CCO2)cn1 Cn1cc(cn1)[*:1] N#Cc1ccsc1C(=O)N1CCO[C@H](C1)[*:1]
Cn1cc([C@H]2CN(C(=O)c3sccc3C#N)CCO2)cn1 N#Cc1ccsc1[*:1] Cn1cc(cn1)[C@H]1CN(CCO1)C(=O)[*:1]
COc1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1c(C)noc1C
COc1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1OCc1ccccc1 Cc1noc(C)c1[*:1] COc1cc(ccc1OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1c(C)noc1C
COc1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1c(C)noc1C
COc1ccc(CCO)cc1C[NH+]1CCCC1 OCC[*:1] COc1ccc(cc1C[NH+]1CCCC1)[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)[O-])C2 O=C([O-])[*:1] Cc1cc2C[C@@H](Oc2cc1C)[*:1]
CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cccc(N(C)C)c2)C1 CN(C)c1cccc(c1)[*:1] CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C1)C(=O)[*:1]
CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cccc(N(C)C)c2)C1 CNC(=O)[*:1] CN(C)c1cccc(c1)C(=O)N1CC[C@@H](C1)c1c(sc2ccccc12)[*:1]
CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cccc(N(C)C)c2)C1 CN(C)[*:1] CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)c1 c1ccc(nc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H]1CCCN(C1)C(=O)c1cc([nH]n1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN(C1)C(=O)c1cc([nH]n1)-c1ccccn1
CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)c1 CC(=O)c1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cc([nH]n1)-c1ccccn1
O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])Nc1cc(nn1-c1ccccc1)C1CC1
O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC1)Cc1ccccc1)Nc1cc(nn1[*:1])C1CC1
O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 C1CC1[*:1] O=C(CN1CC[NH+](CC1)Cc1ccccc1)Nc1cc(nn1-c1ccccc1)[*:1]
O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CC[NH+](CC1)[*:1])Nc1cc(nn1-c1ccccc1)C1CC1
O=C(CN1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(c1cc([nH]n1)-c1ccco1)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1)N1CCCC1 c1coc(c1)[*:1] O=C(CN1CCN(CC1)C(=O)c1cc([nH]n1)[*:1])N1CCCC1
O=C(CN1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(c1cc([nH]n1)-c1ccco1)N1CCN(CC1)C[*:1]
CCCCS[C@@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 CCC[*:1] CC(C)[NH2+][C@]1(CO)CCC[C@H](C1)SC[*:1]
CCCCS[C@@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 CC(C)[*:1] CCCCS[C@@H]1CCC[C@](CO)(C1)[NH2+][*:1]
CCCCS[C@@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 CCCC[*:1] CC(C)[NH2+][C@]1(CO)CCC[C@H](C1)S[*:1]
CCCCS[C@@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 CCCCS[*:1] CC(C)[NH2+][C@]1(CO)CCC[C@H](C1)[*:1]
CC(C)NC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2)CC1 CC(C)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1ccccc1
CC(C)NC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)NC(=O)[C@@H](C)N1CCN(CC1)C(=O)[*:1]
CC(C)NC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2)CC1 CC(C)NC(=O)[*:1] C[C@@H](N1CCN(CC1)C(=O)c1ccccc1)[*:1]
Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c(Cl)c1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)Nc2cc3nn(nc3cc2C)[*:1])c(Cl)c1
Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] Cc1cc2nn(nc2cc1NC(=O)[*:1])-c1ccccc1
Cc1cc(C(=O)OCc2nc(COc3ccc(F)cc3)no2)c2ccccc2n1 Fc1ccc(cc1)OC[*:1] Cc1cc(C(=O)OCc2nc(no2)[*:1])c2ccccc2n1
Cc1cc(C(=O)OCc2nc(COc3ccc(F)cc3)no2)c2ccccc2n1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)OCc2nc(CO[*:1])no2)c2ccccc2n1
Cc1cc(C(=O)OCc2nc(COc3ccc(F)cc3)no2)c2ccccc2n1 Fc1ccc(cc1)O[*:1] Cc1cc(C(=O)OCc2nc(C[*:1])no2)c2ccccc2n1
O=C1CC[C@]2(C(=O)NC[C@H]3CCCO3)SCCN12 C1CO[C@H](C1)C[*:1] O=C1CC[C@@]2(SCCN12)C(=O)N[*:1]
O=C1CC[C@]2(C(=O)NC[C@H]3CCCO3)SCCN12 C1CO[C@H](C1)[*:1] O=C1CC[C@@]2(SCCN12)C(=O)NC[*:1]
Cc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)N1CCC(CC1)c1nnc(s1)C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1)NC(=O)N1CCC(CC1)c1nnc(s1)[*:1]
Cc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1nnc(s1)C1CCN(CC1)C(=O)N[*:1]
COCc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 COC[*:1] N#Cc1cc(sc1NC(=O)c1ccc(cc1)[*:1])-c1ccccc1
COCc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 c1ccc(cc1)[*:1] COCc1ccc(cc1)C(=O)Nc1sc(cc1C#N)[*:1]
O=C(c1sccc1OC(F)F)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 FC(F)Oc1ccsc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)[*:1]
O=C(c1sccc1OC(F)F)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 FC(F)[*:1] O=C(c1sccc1O[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
O=C(c1sccc1OC(F)F)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 FC(F)O[*:1] O=C(c1sccc1[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
O=C(c1sccc1OC(F)F)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 Clc1ccc(cc1Cl)[*:1] O=C(c1sccc1OC(F)F)N1CCN(CC1)S(=O)(=O)[*:1]
Cn1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cn1 c1coc(c1)[*:1] Cn1cc(cn1)S(=O)(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cn1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCC1)[*:1]
CO[C@@]1(C)C[C@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C1(C)C CC(C)(C)[*:1] CO[C@@]1(C)C[C@H](NC(=O)C(=O)Nc2nnc(s2)[*:1])C1(C)C
O=c1[nH]c(NCc2ccc(C(F)(F)F)cc2)nc2c1CCCC2 FC(F)(F)[*:1] O=c1[nH]c(nc2CCCCc21)NCc1ccc(cc1)[*:1]
CC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CC[NH+](C2CCCCC2)CC1 c1cc(ccn1)[*:1] CC(C)(C)n1nnnc1[C@H](N1CC[NH+](CC1)C1CCCCC1)[*:1]
CC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CC[NH+](C2CCCCC2)CC1 CC(C)(C)[*:1] c1cc(ccn1)[C@@H](c1nnnn1[*:1])N1CC[NH+](CC1)C1CCCCC1
CC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] CC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CC[NH+](CC1)[*:1]
CC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CC[NH+](C2CCCCC2)CC1 CC(C)(C)n1nnnc1[*:1] c1cc(ccn1)[C@H](N1CC[NH+](CC1)C1CCCCC1)[*:1]
COc1ccc(-c2ccc(C(=O)NCc3n[nH]c(=S)n3C)c(F)c2)c(F)c1 Cn1c(C[*:1])n[nH]c1=S COc1ccc(-c2ccc(C(=O)N[*:1])c(F)c2)c(F)c1
COc1ccc(-c2ccc(C(=O)NCc3n[nH]c(=S)n3C)c(F)c2)c(F)c1 Cn1c(n[nH]c1=S)[*:1] COc1ccc(-c2ccc(C(=O)NC[*:1])c(F)c2)c(F)c1
COc1ccc(-c2ccc(C(=O)NCc3n[nH]c(=S)n3C)c(F)c2)c(F)c1 COc1ccc(c(F)c1)[*:1] Cn1c(CNC(=O)c2ccc(cc2F)[*:1])n[nH]c1=S
CC(=O)c1cc(F)ccc1OCCc1ccncc1 CC(=O)[*:1] Fc1ccc(OCCc2ccncc2)c(c1)[*:1]
CC(=O)c1cc(F)ccc1OCCc1ccncc1 c1cc(ccn1)[*:1] CC(=O)c1cc(F)ccc1OCC[*:1]
Cc1ccsc1CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 Cc1ccsc1[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)NC[*:1]
Cc1ccsc1CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 Cc1ccsc1C[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)N[*:1]
Cc1ccsc1CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] Cc1ccsc1CNC(=O)NC[C@H]1CN(CCO1)C[*:1]
Cc1ccsc1CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] Cc1ccsc1CNC(=O)NC[C@H]1CN(CCO1)[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C2CCCC2)C2CC2)no1 Cc1cc(no1)[*:1] C[C@H](SCC(=O)N(C1CCCC1)C1CC1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C2CCCC2)C2CC2)no1 C1CC1[*:1] Cc1cc(no1)NC(=O)[C@H](C)SCC(=O)N(C1CCCC1)[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C2CCCC2)C2CC2)no1 C1CCC(C1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)SCC(=O)N(C1CC1)[*:1]
CCOCC(=O)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 c1coc(c1)[*:1] CCOCC(=O)N1CC[C@@H](C1)n1c(nc2cccnc21)[*:1]
CCOCC(=O)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 CCO[*:1] O=C(C[*:1])N1CC[C@@H](C1)n1c(nc2cccnc21)-c1ccco1
CCOCC(=O)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 CCOC[*:1] O=C(N1CC[C@@H](C1)n1c(nc2cccnc21)-c1ccco1)[*:1]
CC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)ccn1 Cc1ccnc(c1)[*:1] CC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[*:1]
CC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)ccn1 CC(=O)[*:1] Cc1ccnc(c1)-n1c(nc2ccccc2c1=O)S[C@@H](C)[*:1]
O=C([O-])c1ccc2c(c1)S(=O)(=O)N(CC1CCCC1)C2=O C1CCC(C1)[*:1] O=C([O-])c1ccc2C(=O)N(C[*:1])S(=O)(=O)c2c1
O=C([O-])c1ccc2c(c1)S(=O)(=O)N(CC1CCCC1)C2=O C1CCC(C1)C[*:1] O=C([O-])c1ccc2C(=O)N(S(=O)(=O)c2c1)[*:1]
O=C([O-])c1ccc2c(c1)S(=O)(=O)N(CC1CCCC1)C2=O O=C([O-])[*:1] O=C1c2ccc(cc2S(=O)(=O)N1CC1CCCC1)[*:1]
C[C@H](NC(=O)NCCNS(C)(=O)=O)c1nc2ccccc2[nH]1 CS(=O)(=O)NC[*:1] C[C@H](NC(=O)NC[*:1])c1nc2ccccc2[nH]1
C[C@H](NC(=O)NCCNS(C)(=O)=O)c1nc2ccccc2[nH]1 CS(=O)(=O)NCC[*:1] C[C@H](NC(=O)N[*:1])c1nc2ccccc2[nH]1
C[C@H](NC(=O)NCCNS(C)(=O)=O)c1nc2ccccc2[nH]1 CS(=O)(=O)N[*:1] C[C@H](NC(=O)NCC[*:1])c1nc2ccccc2[nH]1
COc1ccc(OC)c(CN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] COc1ccc(OC)c(c1)CN(C)C(=O)c1ccc(Cl)c(c1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCCSC[C@H]2C[NH+]2CCCCC2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1
COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccc(F)cc5)no4)ccc3c2=O)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-n1c(=O)[nH]c2cc(ccc2c1=O)-c1nc(no1)[*:1]
COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccc(F)cc5)no4)ccc3c2=O)cc1 COc1ccc(cc1)[*:1] O=c1[nH]c2cc(ccc2c(=O)n1[*:1])-c1nc(no1)-c1ccc(F)cc1
O[C@]1(C(F)(F)F)c2cccc3c2N(CCC3)[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O[C@@]1(c2cccc3CCCN(c32)[C@@H]1CC[*:1])C(F)(F)F
O[C@]1(C(F)(F)F)c2cccc3c2N(CCC3)[C@@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] O[C@@]1(c2cccc3CCCN(c32)[C@H]1[*:1])C(F)(F)F
O[C@]1(C(F)(F)F)c2cccc3c2N(CCC3)[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O[C@@]1(c2cccc3CCCN(c32)[C@@H]1C[*:1])C(F)(F)F
O[C@]1(C(F)(F)F)c2cccc3c2N(CCC3)[C@@H]1CCc1ccccc1 FC(F)(F)[*:1] O[C@@]1(c2cccc3CCCN(c32)[C@@H]1CCc1ccccc1)[*:1]
COc1ccc(C)cc1NC(=O)NNC(=O)C1CCC(C(C)(C)C)CC1 CC(C)(C)[*:1] COc1ccc(C)cc1NC(=O)NNC(=O)C1CCC(CC1)[*:1]
CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cn1 CCO[*:1] O=c1[nH]c(nc2sc3CCCCc3c12)-c1ccc(nc1)[*:1]
COc1ccc2cc(/C=C/C(=O)N[C@H](C)c3cccs3)ccc2c1 c1csc(c1)[*:1] COc1ccc2cc(/C=C/C(=O)N[C@H](C)[*:1])ccc2c1
Cc1ccc(-c2nonc2NC(=O)[C@H]2COc3ccccc3O2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nonc1[*:1])[C@H]1COc2ccccc2O1
CC1(C)C(NS(=O)(=O)c2cc(C[NH3+])n(C3CC3)c2)C1(C)C CC1(C)C(C1(C)C)[*:1] [NH3+]Cc1cc(cn1C1CC1)S(=O)(=O)N[*:1]
CC1(C)C(NS(=O)(=O)c2cc(C[NH3+])n(C3CC3)c2)C1(C)C C1CC1[*:1] CC1(C)C(NS(=O)(=O)c2cc(C[NH3+])n(c2)[*:1])C1(C)C
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N(C)c1ccc2c(c1)OCO2 CN(C)C=C[*:1] Cc1noc(c1S(=O)(=O)N(C)c1ccc2OCOc2c1)[*:1]
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N(C)c1ccc2c(c1)OCO2 CN(C)[*:1] Cc1noc(C=C[*:1])c1S(=O)(=O)N(C)c1ccc2OCOc2c1
C[C@H]1CC[NH2+][C@H]([C@H](O)c2c[nH+]cn2C2CC2)C1 C1CC1[*:1] C[C@H]1CC[NH2+][C@@H](C1)[C@H](O)c1c[nH+]cn1[*:1]
C[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccc(cc1)[*:1]
C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)Cc1cscn1 c1nc(cs1)[*:1] C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)C[*:1]
C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)Cc1cscn1 c1nc(cs1)C[*:1] C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)[*:1]
C[C@H](O)[C@@H](C)SCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](O)[C@@H](C)SCC(=O)Nc1ccccc1C(=O)N[*:1]
C[C@@H]1C[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)c1cc2ccccc2c(=O)[nH]1
CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)cc1OC OCC[*:1] CCOc1ccc(cc1OC)[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1C[*:1]
CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)cc1OC OCCC[*:1] CCOc1ccc(cc1OC)[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1[*:1]
CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1CCCO
CCOC(=O)C1=C(C)C(c2nc(NC[C@H]3CCCO3)sc2C)=N[C@@H]1C C1CO[C@H](C1)[*:1] CCOC(=O)C1=C(C)C(=N[C@@H]1C)c1nc(NC[*:1])sc1C
CCOC(=O)C1=C(C)C(c2nc(NC[C@H]3CCCO3)sc2C)=N[C@@H]1C CCOC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])c1nc(NC[C@H]2CCCO2)sc1C
CCOC(=O)C1=C(C)C(c2nc(NC[C@H]3CCCO3)sc2C)=N[C@@H]1C C1CO[C@H](C1)CN[*:1] CCOC(=O)C1=C(C)C(=N[C@@H]1C)c1nc(sc1C)[*:1]
CCOC(=O)C1=C(C)C(c2nc(NC[C@H]3CCCO3)sc2C)=N[C@@H]1C C1CO[C@H](C1)C[*:1] CCOC(=O)C1=C(C)C(=N[C@@H]1C)c1nc(N[*:1])sc1C
C[C@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)C[C@H]1O C1CCN(CC1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1ccc(cc1)[*:1]
O=C(NC1CC1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 C1CC1[*:1] O=C(N[*:1])[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2
O=C(NC1CC1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 c1ccc2c(c[nH]c2c1)[*:1] O=C(NC1CC1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC[*:1])C(=O)[C@@H]13)O2
O=C(NC1CC1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 O=C(NC1CC1)[*:1] O=C1[C@H]2[C@@H]([C@@H]3C=C[C@@]2(CN1CCc1c[nH]c2ccccc12)O3)[*:1]
O=C([O-])c1ccc(/N=C/c2ccc(/C=N/c3ccc(C(=O)[O-])cc3)cc2)cc1 O=C([O-])[*:1] O=C([O-])c1ccc(cc1)/N=C/c1ccc(/C=N/c2ccc(cc2)[*:1])cc1
O=C([O-])c1ccc(/N=C/c2ccc(/C=N/c3ccc(C(=O)[O-])cc3)cc2)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)/N=C/c1ccc(C=N[*:1])cc1
Cc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3cccnc3)[C@H]1[C@@H](c1ccc(F)cc1)O2 Fc1ccc(cc1)[*:1] Cc1ccc2O[C@H]([C@H]3C(=Nc4ncnn4[C@@H]3c3cccnc3)c2c1)[*:1]
Cc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3cccnc3)[C@H]1[C@@H](c1ccc(F)cc1)O2 c1cncc(c1)[*:1] Cc1ccc2O[C@H](c3ccc(F)cc3)[C@H]3C(=Nc4ncnn4[C@H]3[*:1])c2c1
C#CCOc1ccc2ccccc2c1CN(C)[C@H](C)CC#N C#CCO[*:1] C[C@H](CC#N)N(C)Cc1c(ccc2ccccc12)[*:1]
C#CCOc1ccc2ccccc2c1CN(C)[C@H](C)CC#N C#CC[*:1] C[C@H](CC#N)N(C)Cc1c(ccc2ccccc12)O[*:1]
C#CCOc1ccc2ccccc2c1CN(C)[C@H](C)CC#N N#CC[*:1] C#CCOc1ccc2ccccc2c1CN(C)[C@H](C)[*:1]
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCC(=O)c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CCC(=O)[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCC(=O)c2ccc(F)cc2)C1=O O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CCC(=O)c2ccc(F)cc2)C1=O)[*:1]
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCC(=O)c2ccc(F)cc2)C1=O O=[N+]([O-])[*:1] C[C@@]1(NC(=O)N(CCC(=O)c2ccc(F)cc2)C1=O)c1ccc(cc1)[*:1]
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCC(=O)c2ccc(F)cc2)C1=O O=C(c1ccc(F)cc1)[*:1] C[C@@]1(NC(=O)N(CC[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
O=C(NCCCc1cccc(Br)c1)C1CCOCC1 C1CC(CCO1)[*:1] O=C(NCCCc1cccc(Br)c1)[*:1]
CCCN[C@]1(C#N)CCC[C@@H]1CCO[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CCCN[C@]1(C#N)CCC[C@@H]1CCO[*:1]
CCCN[C@]1(C#N)CCC[C@@H]1CCO[C@@H]1CCOC1 C1C[C@H](CO1)O[*:1] CCCN[C@]1(C#N)CCC[C@@H]1CC[*:1]
CCCN[C@]1(C#N)CCC[C@@H]1CCO[C@@H]1CCOC1 CCCN[*:1] N#C[C@@]1(CCC[C@@H]1CCO[C@@H]1CCOC1)[*:1]
CCCN[C@]1(C#N)CCC[C@@H]1CCO[C@@H]1CCOC1 CCC[*:1] N#C[C@]1(CCC[C@@H]1CCO[C@@H]1CCOC1)N[*:1]
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccncc1 c1cc(ccn1)[*:1] O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)[*:1]
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccncc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1c(n(-c2ccccc2)c2ccccc12)[*:1])c1ccncc1
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccncc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1c(-c2ccccc2)n(c2ccccc12)[*:1])c1ccncc1
CCCOc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Cl CCC[*:1] O=C(Nc1ccc(O[*:1])c(Cl)c1)N1CCN(CC1)c1cccc[nH+]1
CCCOc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Cl CCCO[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])N1CCN(CC1)c1cccc[nH+]1
CCc1nnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] CCc1nnc(NC(=O)c2ccc(c(c2)[*:1])N2CCOCC2)s1
CCc1nnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)s1 CCc1nnc(s1)[*:1] O=C(N[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
CCc1nnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)s1 C1CN(CCO1)[*:1] CCc1nnc(NC(=O)c2ccc(c(c2)[N+](=O)[O-])[*:1])s1
COCc1nc(C)c(C(=O)Nc2ncccc2[O-])s1 COC[*:1] Cc1nc(sc1C(=O)Nc1ncccc1[O-])[*:1]
COCCC1(C(=O)N[C@H](C)c2ccc(Cl)s2)CCCC1 COC[*:1] C[C@@H](NC(=O)C1(CCCC1)C[*:1])c1ccc(Cl)s1
COCCC1(C(=O)N[C@H](C)c2ccc(Cl)s2)CCCC1 COCC[*:1] C[C@@H](NC(=O)C1(CCCC1)[*:1])c1ccc(Cl)s1
COCCC1(C(=O)N[C@H](C)c2ccc(Cl)s2)CCCC1 Clc1ccc(s1)[*:1] COCCC1(CCCC1)C(=O)N[C@H](C)[*:1]
Cc1cc(N2c3ccccc3C[C@@H]2C)c([C@H](C)O)cc1F C[C@H](O)[*:1] Cc1cc(c(cc1F)[*:1])N1c2ccccc2C[C@@H]1C
C[NH+](C)Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)NCC[*:1]
Cc1ccnc(NNC(=O)[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] Cc1ccnc(c1)NNC(=O)[*:1]
CC1(C)CCC[C@H]1NC(=O)c1ccccc1C#CCO OCC#C[*:1] CC1(C)CCC[C@H]1NC(=O)c1ccccc1[*:1]
N#Cc1cccc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)C(=O)Nc1cccn(C[*:1])c1=O
N#Cc1cccc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 N#Cc1cccc(c1)[*:1] O=C(Nc1cccn(Cc2ccccc2)c1=O)[*:1]
N#Cc1cccc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 c1ccc(cc1)C[*:1] N#Cc1cccc(c1)C(=O)Nc1cccn(c1=O)[*:1]
Cc1cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc(=O)[nH]1 FC(F)(F)[*:1] Cc1cc(nc(=O)[nH]1)SCC(=O)Nc1cccc(c1)[*:1]
CCOCCN(C)S(=O)(=O)C1CCOCC1 CCOCC[*:1] CN(S(=O)(=O)C1CCOCC1)[*:1]
CCOCCN(C)S(=O)(=O)C1CCOCC1 CCOC[*:1] CN(C[*:1])S(=O)(=O)C1CCOCC1
CCOCCN(C)S(=O)(=O)C1CCOCC1 CCO[*:1] CN(CC[*:1])S(=O)(=O)C1CCOCC1
COCc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 C1CCN(CC1)[*:1] COCc1ccccc1NC(=O)NCc1cc[nH+]c(c1)[*:1]
COCc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 COC[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCC1)Nc1ccccc1[*:1]
Cc1cc(CS[C@@H](C)C(=O)Nc2ccc(Cl)cc2F)no1 Cc1cc(no1)[*:1] C[C@H](SC[*:1])C(=O)Nc1ccc(Cl)cc1F
Cc1cc(CS[C@@H](C)C(=O)Nc2ccc(Cl)cc2F)no1 Cc1cc(C[*:1])no1 C[C@H](S[*:1])C(=O)Nc1ccc(Cl)cc1F
Cc1cccc2sc(NC(=O)[C@H]3CCCO3)nc12 C1CO[C@H](C1)[*:1] Cc1cccc2sc(nc12)NC(=O)[*:1]
CSCC(=O)OCCc1scnc1C CSC[*:1] Cc1ncsc1CCOC(=O)[*:1]
CN(Cc1ncnn1C)C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 Cn1ncnc1[*:1] CN(C[*:1])C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32
CN(Cc1ncnn1C)C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 Cn1ncnc1C[*:1] CN(C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N[C@@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@H]1[*:1] CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N[*:1]
CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N[C@@H]1CCCC[C@@H]1C CCC[*:1] C[C@H]1CCCC[C@H]1NC(=O)C[C@H]1CSc2nc(cc(=O)n21)[*:1]
O=CN1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccccc3)cc2)CC1 c1ccc(cc1)C[*:1] O=CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
O=CN1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] O=CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
NC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC=CCC2)cc1Cl NC(=O)[*:1] O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
O=C(OCc1cc(-c2ccccc2)on1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(OCc1cc(on1)-c1ccccc1)[*:1]
O=C(OCc1cc(-c2ccccc2)on1)c1cccc(F)c1 c1ccc(cc1)[*:1] O=C(OCc1cc(on1)[*:1])c1cccc(F)c1
C[C@H]1CN(C(=O)c2ccccc2C#CCO)C[C@@H]1C OCC#C[*:1] C[C@H]1CN(C[C@@H]1C)C(=O)c1ccccc1[*:1]
Cc1c(C(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)oc2ccccc12 O=C([O-])[*:1] Cc1c(oc2ccccc12)C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CC[C@@H]1CC[C@@](Cc2ccc(O)cc2)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H]1CC[C@@](Cc2ccc(O)cc2)(C1)[*:1]
C[NH+](C)CCn1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] C[NH+](C)CCn1ccc(n1)NC(=O)c1cc(cc(c1)[*:1])C(F)(F)F
Cc1ccc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)oc2c1 O=[N+]([O-])[*:1] Cc1ccc2nc(oc2c1)-c1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
Cc1ccc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)oc2c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc2nc(oc2c1)-c1ccc(cc1)NC(=O)[*:1]
CC[C@]1(C(=O)[O-])CCN(Cc2[nH+]c(C)ccc2[O-])C1 O=C([O-])[*:1] CC[C@@]1(CCN(Cc2[nH+]c(C)ccc2[O-])C1)[*:1]
C[C@@H]1Cc2cc([C@@H]([NH3+])CC(F)(F)F)ccc2O1 FC(F)(F)[*:1] C[C@@H]1Cc2cc(ccc2O1)[C@@H]([NH3+])C[*:1]
C[C@@H]1Cc2cc([C@@H]([NH3+])CC(F)(F)F)ccc2O1 FC(F)(F)C[*:1] C[C@@H]1Cc2cc(ccc2O1)[C@@H]([NH3+])[*:1]
CCN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1)[C@H](C)Cc1ccc(OC)cc1 Fc1cccc(c1)[*:1] CCN(C(=O)[C@H]1C[C@H]1[*:1])[C@H](C)Cc1ccc(cc1)OC
CCN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1)[C@H](C)Cc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1)[C@H](C)C[*:1]
Cc1ccc(C)c(NC(=O)N2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)N[*:1]
CC[C@H]1SC[C@H](C(=O)[O-])N1C(=O)Cc1ccc(F)c(F)c1 O=C([O-])[*:1] CC[C@H]1SC[C@H](N1C(=O)Cc1ccc(F)c(F)c1)[*:1]
O=C(NCc1ccnc(OC2CCC2)c1)N1CCC[C@@H]1c1ccc(F)cc1 C1CC(C1)[*:1] O=C(NCc1ccnc(c1)O[*:1])N1CCC[C@@H]1c1ccc(F)cc1
O=C(NCc1ccnc(OC2CCC2)c1)N1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)OC1CCC1)N1CCC[C@H]1[*:1]
O=C(NCc1ccnc(OC2CCC2)c1)N1CCC[C@@H]1c1ccc(F)cc1 C1CC(C1)O[*:1] O=C(NCc1ccnc(c1)[*:1])N1CCC[C@@H]1c1ccc(F)cc1
CCCOc1cccc(NC(=O)[C@H]2CC(=O)N(C)C2)c1 CCCO[*:1] CN1C[C@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
CCCOc1cccc(NC(=O)[C@H]2CC(=O)N(C)C2)c1 CCC[*:1] CN1C[C@H](CC1=O)C(=O)Nc1cccc(c1)O[*:1]
COc1cccc(OCCNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 COc1cccc(c1)[*:1] O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCO[*:1]
CCCC1CCC(NC(=O)C(=O)Nc2ccc(-c3nc(C)n[nH]3)cc2)CC1 CCCC1CCC(CC1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NC(=O)C(=O)N[*:1]
CCCC1CCC(NC(=O)C(=O)Nc2ccc(-c3nc(C)n[nH]3)cc2)CC1 Cc1n[nH]c(n1)[*:1] CCCC1CCC(CC1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCCC1CCC(NC(=O)C(=O)Nc2ccc(-c3nc(C)n[nH]3)cc2)CC1 CCC[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NC(=O)C(=O)NC1CCC(CC1)[*:1]
Cc1cc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+]2CCCCCC2)no1 Cn1cccc1[*:1] Cc1cc(no1)NC(=O)C(=O)NC[C@H]([NH+]1CCCCCC1)[*:1]
Cc1cc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+]2CCCCCC2)no1 Cc1cc(no1)[*:1] Cn1cccc1[C@@H](CNC(=O)C(=O)N[*:1])[NH+]1CCCCCC1
C[C@@H]([NH2+]C1CCCC1)C(=O)OC(C)(C)C C1CCC(C1)[*:1] C[C@@H]([NH2+][*:1])C(=O)OC(C)(C)C
C[C@@H]([NH2+]C1CCCC1)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H]([NH2+]C1CCCC1)C(=O)O[*:1]
COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)[O-])S2)cc1OC O=C([O-])C[*:1] COc1ccc(cc1OC)[C@@H]1CC(=NN1C1=NC(=O)[C@@H](S1)[*:1])c1ccc(Cl)cc1
COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)[O-])S2)cc1OC COc1ccc(cc1OC)[*:1] O=C([O-])C[C@H]1SC(=NC1=O)N1N=C(C[C@H]1[*:1])c1ccc(Cl)cc1
COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)[O-])S2)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)[C@@H]1CC(=NN1C1=NC(=O)[C@@H](C[*:1])S1)c1ccc(Cl)cc1
COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)[O-])S2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=NN1C1=NC(=O)[C@@H](CC(=O)[O-])S1)[*:1]
O=C(CCc1ccccc1)NCCC1CCCCC1 c1ccc(cc1)[*:1] O=C(CC[*:1])NCCC1CCCCC1
O=C(CCc1ccccc1)NCCC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCc1ccccc1)NCC[*:1]
COc1ccccc1-c1nnc2ccc(Oc3cccc(Cl)c3)nn12 COc1ccccc1[*:1] Clc1cccc(c1)Oc1ccc2nnc(n2n1)[*:1]
COc1ccccc1-c1nnc2ccc(Oc3cccc(Cl)c3)nn12 Clc1cccc(c1)[*:1] COc1ccccc1-c1nnc2ccc(nn12)O[*:1]
COc1ccccc1-c1nnc2ccc(Oc3cccc(Cl)c3)nn12 Clc1cccc(c1)O[*:1] COc1ccccc1-c1nnc2ccc(nn12)[*:1]
CC(=O)c1sc([N-]S(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1sc(nc1[*:1])[N-]S(=O)(=O)c1cnn(C)c1
CC(=O)c1sc([N-]S(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1 Cn1cc(cn1)[*:1] CC(=O)c1sc(nc1-c1ccccc1)[N-]S(=O)(=O)[*:1]
CC(=O)c1sc([N-]S(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1 CC(=O)[*:1] Cn1cc(cn1)S(=O)(=O)[N-]c1nc(-c2ccccc2)c(s1)[*:1]
O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] O=C(COC(=O)C=C[*:1])Nc1ccc2OCOc2c1
C[C@@H](CCC1CCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 C1CCC(C1)[*:1] C[C@@H](CC[*:1])Nc1ccc(cn1)S(=O)(=O)N1CCOCC1
C[C@@H](CCC1CCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 C1CCC(C1)C[*:1] C[C@@H](C[*:1])Nc1ccc(cn1)S(=O)(=O)N1CCOCC1
C[C@@H](CCC1CCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 C1CCC(C1)CC[*:1] C[C@@H](Nc1ccc(cn1)S(=O)(=O)N1CCOCC1)[*:1]
C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccccn1 c1ccc(nc1)[*:1] C[NH+](C)C[C@@H]1CSCCCN1C(=O)[*:1]
COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 COC(=O)[*:1] N#Cc1cccc(c1)[N-]S(=O)(=O)c1cccc(c1)[*:1]
Cc1nc(C)c(CNC(=O)NCc2cc(=O)[nH]c3ccccc23)s1 Cc1nc(C)c(C[*:1])s1 O=C(NCc1cc(=O)[nH]c2ccccc12)N[*:1]
Cc1nc(C)c(CNC(=O)NCc2cc(=O)[nH]c3ccccc23)s1 Cc1nc(C)c(s1)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)NC[*:1]
CS(=O)(=O)c1ccc(NC(=O)NCCc2ccc(O)cc2)cc1 CS(=O)(=O)[*:1] O=C(NCCc1ccc(O)cc1)Nc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(NC(=O)NCCc2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)NCC[*:1]
CCSCC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C CCS[*:1] C[C@@H](CC[*:1])NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C
CCSCC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C CCSCC[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)[*:1]
CCSCC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C CCSC[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C
Cc1c(NCC(=O)N2C[C@@H](C)O[C@H](C)C2)cccc1OCC(F)(F)F FC(F)(F)C[*:1] Cc1c(cccc1O[*:1])NCC(=O)N1C[C@@H](C)O[C@H](C)C1
Cc1c(NCC(=O)N2C[C@@H](C)O[C@H](C)C2)cccc1OCC(F)(F)F FC(F)(F)[*:1] Cc1c(cccc1OC[*:1])NCC(=O)N1C[C@@H](C)O[C@H](C)C1
Cc1c(NCC(=O)N2C[C@@H](C)O[C@H](C)C2)cccc1OCC(F)(F)F FC(F)(F)CO[*:1] Cc1c(cccc1[*:1])NCC(=O)N1C[C@@H](C)O[C@H](C)C1
C[C@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@H](OC(=O)c1ccc(cc1)N(C)C)C(=O)N[*:1]
C[C@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)NC1CCCC1 CN(C)[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])C(=O)NC1CCCC1
CCN(C(=O)Nc1cc(-c2ncco2)ccc1C)[C@H]1CCS(=O)(=O)C1 c1coc(n1)[*:1] CCN(C(=O)Nc1cc(ccc1C)[*:1])[C@H]1CCS(=O)(=O)C1
O=c1scc(-c2cccc(F)c2)n1Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=c1scc(-c2cccc(F)c2)n1Cc1ncn(n1)[*:1]
O=c1scc(-c2cccc(F)c2)n1Cc1ncn(-c2ccccc2)n1 Fc1cccc(c1)[*:1] O=c1scc(n1Cc1ncn(n1)-c1ccccc1)[*:1]
CCOC(=O)[C@@]1(CC)C[C@H](CSc2nc3ccccc3[nH]2)OC1=O CCOC(=O)[*:1] CC[C@]1(C[C@H](CSc2nc3ccccc3[nH]2)OC1=O)[*:1]
C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1ccc(NC(=O)NC2CC2)cc1 CN(C)[*:1] C[C@@H]([NH2+][C@H](C)c1ccccc1[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1ccc(cc1)[*:1]
C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1ccc(NC(=O)NC2CC2)cc1 CN(C)c1ccccc1[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1ccc(cc1)NC(=O)N[*:1]
Cc1c(CCl)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])CCl
Cc1nc(CNC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)sc1C c1ccc(cc1)[*:1] Cc1nc(CNC(=O)N[C@H]2C[C@H](C)N(C2)[*:1])sc1C
Cc1nc(CNC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)sc1C Cc1nc(C[*:1])sc1C C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)N[*:1]
Cc1nc(CNC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)sc1C Cc1nc(sc1C)[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)NC[*:1]
COc1ccc([C@H](C)NC(=O)c2cnc(N3CCCC3)nc2C)cc1 COc1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)N[C@@H](C)[*:1])N1CCCC1
COc1ccc([C@H](C)NC(=O)c2cnc(N3CCCC3)nc2C)cc1 C1CCN(C1)[*:1] COc1ccc(cc1)[C@H](C)NC(=O)c1cnc(nc1C)[*:1]
CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)c(c1C)[*:1]
CCCn1c[nH+]cc1[C@@H]1OCCC[C@@H]1CCl CCC[*:1] ClC[C@H]1CCCO[C@H]1c1c[nH+]cn1[*:1]
COc1cccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)n1 c1ccc(cc1)[*:1] COc1cccc(n1)C(=O)N1CCC(CC1)c1nc(no1)[*:1]
COc1cccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)n1 COc1cccc(n1)[*:1] O=C(N1CCC(CC1)c1nc(no1)-c1ccccc1)[*:1]
O=C(Cc1ccccc1Cl)N1CCC[C@@H](COc2cccc(C(=O)N3CCCC3)c2)C1 Clc1ccccc1C[*:1] O=C(c1cccc(c1)OC[C@@H]1CCCN(C1)C(=O)[*:1])N1CCCC1
O=C(Cc1ccccc1Cl)N1CCC[C@@H](COc2cccc(C(=O)N3CCCC3)c2)C1 Clc1ccccc1[*:1] O=C(C[*:1])N1CCC[C@@H](COc2cccc(c2)C(=O)N2CCCC2)C1
O=C(Cc1ccccc1Cl)N1CCC[C@@H](COc2cccc(C(=O)N3CCCC3)c2)C1 O=C(N1CCCC1)[*:1] O=C(Cc1ccccc1Cl)N1CCC[C@@H](COc2cccc(c2)[*:1])C1
CC[C@H](C)N1C(N)=[NH+]C[C@@H]1c1ccc(C)cc1C CC[C@H](C)[*:1] Cc1ccc(c(C)c1)[C@H]1C[NH+]=C(N)N1[*:1]
Cc1c(Cl)ccc2sc(NC(=O)c3ccn(C)n3)nc12 Cn1ccc(n1)[*:1] Cc1c(Cl)ccc2sc(nc12)NC(=O)[*:1]
COc1ccc(C)cc1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 CN(C)[*:1] COc1ccc(C)cc1NC(=O)C(=O)NC1CC[NH+](CC1)CC[*:1]
COc1ccc(C)cc1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 CN(C)C[*:1] COc1ccc(C)cc1NC(=O)C(=O)NC1CC[NH+](CC1)C[*:1]
CCn1c(SC[C@@H](O)c2ccccc2)nnc1-c1ccccc1OC c1ccc(cc1)[*:1] CCn1c(nnc1-c1ccccc1OC)SC[C@@H](O)[*:1]
CCn1c(SC[C@@H](O)c2ccccc2)nnc1-c1ccccc1OC O[C@@H](c1ccccc1)[*:1] CCn1c(nnc1-c1ccccc1OC)SC[*:1]
CCn1c(SC[C@@H](O)c2ccccc2)nnc1-c1ccccc1OC COc1ccccc1[*:1] CCn1c(nnc1[*:1])SC[C@@H](O)c1ccccc1
C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2)CC[C@@H]1[NH3+] c1ccc(cc1)[*:1] C[C@H]1CN(CC[C@@H]1[NH3+])CC(=O)NNC(=O)[*:1]
O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Cc1cccc(c1)C(F)(F)F)N1CC[C@@](O)(C1)[*:1]
O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Cc1cccc(c1)[*:1])N1CC[C@](O)(C1)C(F)(F)F
C[C@H]1CCC[C@@H](CCN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)C1 C[C@H]1CCC[C@@H](C1)[*:1] O=S1(=O)C[C@@H](NCC[*:1])[C@H](C1)N1CCCC1
C[C@H]1CCC[C@@H](CCN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCC2)C1 C1CCN(C1)[*:1] C[C@H]1CCC[C@@H](CCN[C@@H]2CS(=O)(=O)C[C@H]2[*:1])C1
CCc1cc(C(=O)N(C)c2ccccc2S(C)(=O)=O)sc1C CS(=O)(=O)[*:1] CCc1cc(sc1C)C(=O)N(C)c1ccccc1[*:1]
CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1[C@@H](C)CCC[C@H]1C Fc1ccc(cc1)[*:1] CC(C)OC(=O)c1cc2c(ccn2[*:1])n1CC(=O)N1[C@@H](C)CCC[C@H]1C
CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1[C@@H](C)CCC[C@H]1C CC(C)OC(=O)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(cc2c1ccn2-c1ccc(F)cc1)[*:1]
CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1[C@@H](C)CCC[C@H]1C CC(C)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(cc2c1ccn2-c1ccc(F)cc1)C(=O)O[*:1]
Cn1c(NNC(=O)c2cccc(F)c2)nc2ccccc2c1=O Fc1cccc(c1)[*:1] Cn1c(nc2ccccc2c1=O)NNC(=O)[*:1]
O=C(Nc1ccc(Oc2cccnc2)nc1)N[C@H]1[C@@H](CO)[C@H]2CC[C@@H]1C2 c1cncc(c1)O[*:1] O=C(Nc1ccc(nc1)[*:1])N[C@H]1[C@@H](CO)[C@H]2CC[C@@H]1C2
O=C(Nc1ccc(Oc2cccnc2)nc1)N[C@H]1[C@@H](CO)[C@H]2CC[C@@H]1C2 c1cncc(c1)[*:1] O=C(Nc1ccc(nc1)O[*:1])N[C@H]1[C@@H](CO)[C@H]2CC[C@@H]1C2
Cc1cc(CO)ccc1SC[C@H](O)CO OC[C@@H](O)C[*:1] Cc1cc(ccc1S[*:1])CO
Cc1cc(CO)ccc1SC[C@H](O)CO OC[C@@H](O)[*:1] Cc1cc(ccc1SC[*:1])CO
C[C@@]1(c2cccnc2)NC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] C[C@]1(NC(=O)N(Cc2ccc(Cl)c(c2)[*:1])C1=O)c1cccnc1
C[C@@]1(c2cccnc2)NC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O c1cncc(c1)[*:1] C[C@]1(NC(=O)N(Cc2ccc(Cl)c(c2)[N+](=O)[O-])C1=O)[*:1]
C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1 C#CC[*:1] O=S1(=O)CC[C@@H](C1)N(S(=O)(=O)c1ccc(Cl)s1)[*:1]
C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[*:1]
CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1[NH2+]CCO OCC[*:1] CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1[NH2+][*:1]
CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1[NH2+]CCO CC(C)(C)[*:1] CN(C(=O)O[*:1])[C@@H]1CCCC[C@@H]1[NH2+]CCO
COc1ncnc2c1nc(N)n2[C@@H](C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1ncnc2c1nc(N)n2[C@@H](C)[*:1]
CC(C)c1nc([C@@H](C)NC(=O)CCc2ccccc2F)cs1 Fc1ccccc1[*:1] CC(C)c1nc(cs1)[C@@H](C)NC(=O)CC[*:1]
CC(C)c1nc([C@@H](C)NC(=O)CCc2ccccc2F)cs1 CC(C)[*:1] C[C@@H](NC(=O)CCc1ccccc1F)c1csc(n1)[*:1]
CC(C)[C@@H](NC(=O)N1CCCSCC1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)N1CCCSCC1)[*:1]
CC(C)[C@@H](NC(=O)N1CCCSCC1)c1ccccn1 CC(C)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])N1CCCSCC1
CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 O=C(Nc1ccccc1)[*:1] CCc1ccc(cc1)[C@@H]1C2C(=O)CCCC=2Nc2c(cnn21)[*:1]
CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 CCc1ccc(cc1)[*:1] O=C1CCCC2Nc3c(cnn3[C@@H](C=21)[*:1])C(=O)Nc1ccccc1
CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)[C@@H]1C2C(=O)CCCC=2Nc2c(cnn21)C(=O)N[*:1]
Cc1cccc2c1=[NH+]C(=O)[C@@H](CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F)C=2 C1CO[C@@H](C1)C[*:1] Cc1cccc2=C[C@H](CN(C(=O)c3ccccc3F)[*:1])C(=O)[NH+]=c12
Cc1cccc2c1=[NH+]C(=O)[C@@H](CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F)C=2 Fc1ccccc1[*:1] Cc1cccc2=C[C@H](CN(C[C@@H]3CCCO3)C(=O)[*:1])C(=O)[NH+]=c12
Cc1cccc2c1=[NH+]C(=O)[C@@H](CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F)C=2 C1CO[C@@H](C1)[*:1] Cc1cccc2=C[C@H](CN(C[*:1])C(=O)c3ccccc3F)C(=O)[NH+]=c12
Cc1ccc(C(=O)C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)C(=O)[*:1])[C@@H]1CCc2ccccc2C1
C/C(=N/NC(=S)Nc1c(C)cccc1C)c1ccc2c(c1)OCCO2 Cc1cccc(C)c1[*:1] C/C(=N/NC(=S)N[*:1])c1ccc2OCCOc2c1
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 COC[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1cc(ccc1Cl)S(=O)(=O)NC[*:1]
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 COCCNS(=O)(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1cc(ccc1Cl)[*:1]
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 COCC[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1cc(ccc1Cl)S(=O)(=O)N[*:1]
CCc1onc(C)c1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1onc(C)c1NC(=O)c1cc(OC)c(cc1[*:1])OC
CCc1onc(C)c1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] CCc1onc(C)c1[*:1] COc1cc(C(=O)N[*:1])c(cc1OC)[N+](=O)[O-]
Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccccc1Sc1ccccc1 c1ccc(cc1)S[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccccc1[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccccc1Sc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccccc1S[*:1]
Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)Cc3c(C)noc3C)CC2)c1 Cc1cccc(c1)[*:1] Cc1noc(C)c1CC(=O)N1CCC(CC1)c1nc(ncc1[*:1])-c1ccncc1
Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)Cc3c(C)noc3C)CC2)c1 Cc1noc(C)c1[*:1] Cc1cccc(c1)-c1cnc(nc1C1CCN(CC1)C(=O)C[*:1])-c1ccncc1
Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)Cc3c(C)noc3C)CC2)c1 Cc1noc(C)c1C[*:1] Cc1cccc(c1)-c1cnc(nc1C1CCN(CC1)C(=O)[*:1])-c1ccncc1
Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)Cc3c(C)noc3C)CC2)c1 c1cc(ccn1)[*:1] Cc1cccc(c1)-c1cnc(nc1C1CCN(CC1)C(=O)Cc1c(C)noc1C)[*:1]
O=C(CCCn1c(=O)oc2ccccc21)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 O=c1cc(nc2sccn12)[*:1] O=C(CCCn1c(=O)oc2ccccc21)N1CCN(CC1)C[*:1]
O=C(CCCn1c(=O)oc2ccccc21)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 O=c1oc2ccccc2n1[*:1] O=C(CCC[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2n1
Cc1ccccc1OCC(=O)NCc1ccc(Cn2ccnc2)cc1 c1cn(cn1)C[*:1] Cc1ccccc1OCC(=O)NCc1ccc(cc1)[*:1]
Cc1ccccc1OCC(=O)NCc1ccc(Cn2ccnc2)cc1 c1cn(cn1)[*:1] Cc1ccccc1OCC(=O)NCc1ccc(cc1)C[*:1]
Cc1ccccc1OCC(=O)NCc1ccc(Cn2ccnc2)cc1 Cc1ccccc1O[*:1] O=C(C[*:1])NCc1ccc(cc1)Cn1ccnc1
Cc1ccccc1OCC(=O)NCc1ccc(Cn2ccnc2)cc1 Cc1ccccc1[*:1] O=C(CO[*:1])NCc1ccc(cc1)Cn1ccnc1
CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2Cc2cccnc2)cc1 CC(C)O[*:1] O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(cc1)[*:1])c1ccc(Cl)cc1
CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2Cc2cccnc2)cc1 c1cncc(c1)[*:1] CC(C)Oc1ccc(cc1)[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1C[*:1]
CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2Cc2cccnc2)cc1 O=C(c1ccc(Cl)cc1)[*:1] CC(C)Oc1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1Cc1cccnc1)[*:1]
CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2Cc2cccnc2)cc1 CC(C)[*:1] O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(cc1)O[*:1])c1ccc(Cl)cc1
CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2Cc2cccnc2)cc1 Clc1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1cccnc1
CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2Cc2cccnc2)cc1 c1cncc(c1)C[*:1] CC(C)Oc1ccc(cc1)[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1[*:1]
CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2Cc2cccnc2)cc1 CC(C)Oc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1[*:1])c1ccc(Cl)cc1
Cc1ccc2nc(S[C@H](C)c3nc(C(C)(C)C)no3)n(C)c(=O)c2c1 CC(C)(C)[*:1] Cc1ccc2nc(S[C@H](C)c3nc(no3)[*:1])n(C)c(=O)c2c1
CCN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2Oc2ccccc21 c1csc(c1)[*:1] CCN1C(=O)c2cc(ccc2Oc2ccccc21)NC(=O)C[*:1]
CCN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2Oc2ccccc21 c1csc(c1)C[*:1] CCN1C(=O)c2cc(ccc2Oc2ccccc21)NC(=O)[*:1]
CCN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2Oc2ccccc21 O=C(Cc1cccs1)N[*:1] CCN1C(=O)c2cc(ccc2Oc2ccccc21)[*:1]
CCNC(=O)CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 CCNC(=O)C[*:1] O=C(NCc1ccc(cc1)NC(=O)c1ccco1)N[*:1]
CCNC(=O)CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 CCNC(=O)CNC(=O)NCc1ccc(cc1)[*:1]
CCNC(=O)CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CCNC(=O)CNC(=O)NCc1ccc(cc1)NC(=O)[*:1]
CCNC(=O)CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 CCNC(=O)[*:1] O=C(NCc1ccc(cc1)NC(=O)c1ccco1)NC[*:1]
CC(C)Oc1ccc2c(c1)[C@H](Br)[C@H](C)[C@H]2C CC(C)O[*:1] C[C@H]1c2ccc(cc2[C@H](Br)[C@@H]1C)[*:1]
CC(C)Oc1ccc2c(c1)[C@H](Br)[C@H](C)[C@H]2C CC(C)[*:1] C[C@H]1c2ccc(cc2[C@H](Br)[C@@H]1C)O[*:1]
CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc3c2OCCO3)CC1 CC(C)(C)OC(=O)N[*:1] O=C(c1cccc2OCCOc21)N1CCC(CC1)[*:1]
CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc3c2OCCO3)CC1 CC(C)(C)[*:1] O=C(NC1CCN(CC1)C(=O)c1cccc2OCCOc21)O[*:1]
Cc1ccc([C@@H]2COCCN2Cc2ccn(C)c2)o1 Cc1ccc(o1)[*:1] Cn1ccc(c1)CN1CCOC[C@H]1[*:1]
Cc1ccc([C@@H]2COCCN2Cc2ccn(C)c2)o1 Cn1ccc(c1)[*:1] Cc1ccc(o1)[C@@H]1COCCN1C[*:1]
CC(C)(C)Oc1cc(CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])c1ccc([nH]c1=O)-c1ccccc1
CC(C)(C)Oc1cc(CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])c1ccc([nH]c1=O)-c1ccccc1
CC(C)(C)Oc1cc(CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)ccn1 c1ccc(cc1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)c1ccc([nH]c1=O)[*:1]
COC(=O)C[C@@H]1CN(C[C@H]2CC=CCC2)CCO1 COC(=O)[*:1] C1=CC[C@@H](CC1)CN1CCO[C@@H](C1)C[*:1]
COC(=O)C[C@@H]1CN(C[C@H]2CC=CCC2)CCO1 COC(=O)C[*:1] C1=CC[C@@H](CC1)CN1CCO[C@@H](C1)[*:1]
Cc1n[nH]c2ncc(NC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)C3CC3)cc12 C1CC1[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N(Cc1ccc(o1)[C@@H]1C[C@@H]1C)[*:1]
CC(=O)N[C@@H](CC(=O)N(C)CCS(C)(=O)=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N(C)CCS(C)(=O)=O)[*:1]
CC(=O)N[C@@H](CC(=O)N(C)CCS(C)(=O)=O)c1ccc(Cl)cc1 CC(=O)N[*:1] CN(CCS(C)(=O)=O)C(=O)C[C@@H](c1ccc(Cl)cc1)[*:1]
CC(=O)N[C@@H](CC(=O)N(C)CCS(C)(=O)=O)c1ccc(Cl)cc1 CS(=O)(=O)C[*:1] CC(=O)N[C@@H](CC(=O)N(C)C[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)N(C)CCS(C)(=O)=O)c1ccc(Cl)cc1 CS(=O)(=O)CC[*:1] CC(=O)N[C@@H](CC(=O)N(C)[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)N(C)CCS(C)(=O)=O)c1ccc(Cl)cc1 CS(=O)(=O)[*:1] CC(=O)N[C@@H](CC(=O)N(C)CC[*:1])c1ccc(Cl)cc1
C[C@@H](NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)c1nncn1C Cn1cnnc1[*:1] C[C@@H](NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)[*:1]
C[C@@H](NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)c1nncn1C c1ccc(cc1)[*:1] C[C@@H](NC(=O)NC[C@H]1CCO[C@H]1[*:1])c1nncn1C
C[C@@H](NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)c1nncn1C C[C@@H](c1nncn1C)[*:1] O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N[*:1]
Cc1ccc(C(N)=O)c(OCc2nc(C)no2)c1 NC(=O)[*:1] Cc1ccc(c(c1)OCc1nc(C)no1)[*:1]
Cc1ccc(C(N)=O)c(OCc2nc(C)no2)c1 Cc1noc(n1)[*:1] Cc1ccc(C(N)=O)c(c1)OC[*:1]
CCCOCc1cccc(C(N)=[NH2+])c1 CCCO[*:1] NC(=[NH2+])c1cccc(c1)C[*:1]
CCCOCc1cccc(C(N)=[NH2+])c1 CCC[*:1] NC(=[NH2+])c1cccc(c1)CO[*:1]
CCCOCc1cccc(C(N)=[NH2+])c1 NC(=[NH2+])[*:1] CCCOCc1cccc(c1)[*:1]
COc1ccc2c(c1)C(=O)/C(=C\c1cnc(-c3ccsc3)s1)CO2 c1cc(cs1)[*:1] COc1ccc2OC/C(=C/c3cnc(s3)[*:1])C(=O)c2c1
O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc2cnccc12 O=[N+]([O-])[*:1] O=C(CCCNc1ccc(cc1)[*:1])Nc1cccc2cnccc12
Cc1cnc2n(c1=O)C[C@H](C(=O)N(CCO)C(C)C)CS2 OCC[*:1] Cc1cnc2SC[C@H](Cn2c1=O)C(=O)N(C(C)C)[*:1]
Cc1cnc2n(c1=O)C[C@H](C(=O)N(CCO)C(C)C)CS2 CC(C)[*:1] Cc1cnc2SC[C@H](Cn2c1=O)C(=O)N(CCO)[*:1]
Cc1[nH]c(=O)c(C(=O)OCC(=O)N2CCCC2)cc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(=O)c(cc1[*:1])C(=O)OCC(=O)N1CCCC1
Cc1[nH]c(=O)c(C(=O)OCC(=O)N2CCCC2)cc1-c1ccccc1 O=C(C[*:1])N1CCCC1 Cc1[nH]c(=O)c(cc1-c1ccccc1)C(=O)O[*:1]
Cc1[nH]c(=O)c(C(=O)OCC(=O)N2CCCC2)cc1-c1ccccc1 O=C(N1CCCC1)[*:1] Cc1[nH]c(=O)c(cc1-c1ccccc1)C(=O)OC[*:1]
Fc1ccc(COc2ccc(Cl)cc2C[NH2+]C[C@H]2CCCO2)cc1 Fc1ccc(cc1)[*:1] Clc1ccc(OC[*:1])c(c1)C[NH2+]C[C@H]1CCCO1
Fc1ccc(COc2ccc(Cl)cc2C[NH2+]C[C@H]2CCCO2)cc1 Fc1ccc(cc1)C[*:1] Clc1ccc(O[*:1])c(c1)C[NH2+]C[C@H]1CCCO1
Nc1ccc(SCC(=O)NNC(=O)c2cccs2)cc1F c1csc(c1)[*:1] Nc1ccc(cc1F)SCC(=O)NNC(=O)[*:1]
CCc1nc(CN2CCN(Cc3c[nH]nc3C(C)(C)C)CC2)cs1 CCc1nc(cs1)C[*:1] CC(C)(C)c1n[nH]cc1CN1CCN(CC1)[*:1]
CCc1nc(CN2CCN(Cc3c[nH]nc3C(C)(C)C)CC2)cs1 CC(C)(C)[*:1] CCc1nc(cs1)CN1CCN(CC1)Cc1c[nH]nc1[*:1]
CCc1nc(CN2CCN(Cc3c[nH]nc3C(C)(C)C)CC2)cs1 CCc1nc(cs1)[*:1] CC(C)(C)c1n[nH]cc1CN1CCN(CC1)C[*:1]
Cc1ccccc1[C@@H](O)CNC(=O)c1cc(C(C)C)no1 CC(C)[*:1] Cc1ccccc1[C@@H](O)CNC(=O)c1cc(no1)[*:1]
Cc1ccccc1[C@@H](O)CNC(=O)c1cc(C(C)C)no1 Cc1ccccc1[*:1] CC(C)c1cc(on1)C(=O)NC[C@H](O)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)Nc1ccc(F)cc1
O=C(C[NH+]1CCC(O)CC1)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(O)CC1)Nc1cc(nn1[*:1])-c1ccc2CCCCc2c1
O=C(C[NH+]1CCC(O)CC1)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 c1cc2CCCCc2cc1[*:1] O=C(C[NH+]1CCC(O)CC1)Nc1cc(nn1-c1ccccc1)[*:1]
CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccccc2C)c(C)n1 Cc1ccccc1[*:1] CSc1nc(C)c(CCC(=O)N[C@@H](C)[*:1])c(C)n1
CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c1 CC[C@@H](C)[*:1] O=C(Nc1cccc(c1)C[NH2+][C@H]1CCOc2c(F)cccc21)[*:1]
CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c1 CC[C@@H](C)C(=O)N[*:1] Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc(c1)[*:1]
Cc1ccccc1[C@H]1CN(c2nc(-c3ccccn3)nc3c2CCC3)CCO1 c1ccc(nc1)[*:1] Cc1ccccc1[C@H]1CN(CCO1)c1nc(nc2CCCc21)[*:1]
Cc1ccccc1[C@H]1CN(c2nc(-c3ccccn3)nc3c2CCC3)CCO1 Cc1ccccc1[*:1] c1ccc(nc1)-c1nc2CCCc2c(n1)N1CCO[C@H](C1)[*:1]
Cc1[nH]c2cc(-c3ccoc3C)nn2c(=O)c1C Cc1occc1[*:1] Cc1[nH]c2cc(nn2c(=O)c1C)[*:1]
COC(=O)Cc1ccc([C@@H](N)C(F)(F)F)cc1 COC(=O)C[*:1] N[C@H](c1ccc(cc1)[*:1])C(F)(F)F
COC(=O)Cc1ccc([C@@H](N)C(F)(F)F)cc1 FC(F)(F)[*:1] COC(=O)Cc1ccc(cc1)[C@@H](N)[*:1]
COC(=O)Cc1ccc([C@@H](N)C(F)(F)F)cc1 COC(=O)[*:1] N[C@H](c1ccc(cc1)C[*:1])C(F)(F)F
Cc1ccc(C(=O)N2CCC[C@H](C(=O)NN3CCOCC3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NN1CCOCC1)[C@H]1CCCN(C1)C(=O)[*:1]
CCC1(CNC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)CC1 CCC1(CC1)[*:1] CC(C)(C)C(=O)N1CCOc2ccc(cc21)NC(=O)NC[*:1]
CCC1(CNC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)CC1 CCC1(CC1)C[*:1] CC(C)(C)C(=O)N1CCOc2ccc(cc21)NC(=O)N[*:1]
CCC1(CNC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)CC1 CC(C)(C)[*:1] CCC1(CC1)CNC(=O)Nc1ccc2OCCN(C(=O)[*:1])c2c1
CCC[C@@H]1CCC(=O)[C@H]([C@@H]2CCC[NH2+]2)C1 CCC[*:1] O=C1CC[C@H](C[C@H]1[C@@H]1CCC[NH2+]1)[*:1]
CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(OC)nn1 COc1ccc(nn1)[*:1] CCN(Cc1ccccc1)C(=O)CNC(=O)[*:1]
CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(OC)nn1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CNC(=O)c1ccc(nn1)OC
CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(OC)nn1 c1ccc(cc1)C[*:1] CCN(C(=O)CNC(=O)c1ccc(nn1)OC)[*:1]
CN(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cn1 CN(C)c1ccc(cn1)[*:1] O=C(N[*:1])C(=O)N1CCC[C@H](C1)Nc1ccccc1
CN(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cn1 CN(C)[*:1] O=C(Nc1ccc(nc1)[*:1])C(=O)N1CCC[C@H](C1)Nc1ccccc1
CN(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cn1 c1ccc(cc1)[*:1] CN(C)c1ccc(cn1)NC(=O)C(=O)N1CCC[C@H](C1)N[*:1]
CN(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cn1 c1ccc(cc1)N[*:1] CN(C)c1ccc(cn1)NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
O=C(Nc1ccccc1N1CCCCC1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] O=C(Nc1ccccc1N1CCCCC1)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1N1CCCCC1)c1ccc(-n2cncn2)cc1 C1CCN(CC1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)-n1cncn1
C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1ccc(cc1)C(=O)O[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)C1 CC(C)(C)OC(=O)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1ccc(cc1)[*:1]
[NH3+]CC1CCN(S(=O)(=O)C(F)F)CC1 FC(F)[*:1] [NH3+]CC1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccncc1C(=O)NCc1cccnc1Oc1ccc(F)cc1F Cc1ccncc1[*:1] O=C(NCc1cccnc1Oc1ccc(F)cc1F)[*:1]
Cc1ccncc1C(=O)NCc1cccnc1Oc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cc1ccncc1C(=O)NCc1cccnc1O[*:1]
CCCCNC(=O)c1nc(C)c(C)nc1C(=O)Nc1ccc(Cl)cc1 CCC[*:1] Cc1nc(C(=O)NC[*:1])c(nc1C)C(=O)Nc1ccc(Cl)cc1
CCCCNC(=O)c1nc(C)c(C)nc1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCCNC(=O)c1nc(C)c(C)nc1C(=O)N[*:1]
CCCCNC(=O)c1nc(C)c(C)nc1C(=O)Nc1ccc(Cl)cc1 CCCCNC(=O)[*:1] Cc1nc(C(=O)Nc2ccc(Cl)cc2)c(nc1C)[*:1]
CCCCNC(=O)c1nc(C)c(C)nc1C(=O)Nc1ccc(Cl)cc1 CCCC[*:1] Cc1nc(C(=O)Nc2ccc(Cl)cc2)c(nc1C)C(=O)N[*:1]
COc1cccc(C[C@@H](O)c2cccc(C3CC3)c2)c1 C1CC1[*:1] COc1cccc(c1)C[C@@H](O)c1cccc(c1)[*:1]
CCOC(=O)c1cccc(NCc2ccc(C)cc2C)n1 CCOC(=O)[*:1] Cc1ccc(CNc2cccc(n2)[*:1])c(C)c1
C[C@@H](C1CC1)n1c(N)nc2c[nH+]ccc21 C1CC1[*:1] C[C@@H](n1c(N)nc2c[nH+]ccc21)[*:1]
C[C@@H](C1CC1)n1c(N)nc2c[nH+]ccc21 C[C@@H](C1CC1)[*:1] Nc1nc2c[nH+]ccc2n1[*:1]
COC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl Clc1ccccc1[*:1] COC(=O)N/N=C/c1ccccc1OC[*:1]
COC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl COC(=O)NN=C[*:1] Clc1ccccc1COc1ccccc1[*:1]
CCCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O CCC[*:1] O=C1[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C[*:1]
CCCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O CCCC[*:1] O=C1[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1[*:1]
CCCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O c1ccc2c(c[nH]c2c1)C[*:1] CCCCN1C(=O)[C@@H]2[C@H](N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O)[*:1]
CCCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O c1ccc2c(c[nH]c2c1)[*:1] CCCCN1C(=O)[C@@H]2[C@H](C[*:1])N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O
CC(C)(C)[NH+](CC(N)=O)Cc1nc(-c2cccc(Br)c2)c[nH]1 NC(=O)C[*:1] CC(C)(C)[NH+](Cc1nc(c[nH]1)-c1cccc(Br)c1)[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1nc(-c2cccc(Br)c2)c[nH]1 NC(=O)[*:1] CC(C)(C)[NH+](Cc1nc(c[nH]1)-c1cccc(Br)c1)C[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1nc(-c2cccc(Br)c2)c[nH]1 Brc1cccc(c1)[*:1] CC(C)(C)[NH+](CC(N)=O)Cc1nc(c[nH]1)[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1nc(-c2cccc(Br)c2)c[nH]1 CC(C)(C)[*:1] NC(=O)C[NH+](Cc1nc(c[nH]1)-c1cccc(Br)c1)[*:1]
O=C(NCCNC(=O)c1ccccc1Cl)c1cnn(-c2ccc(Br)cc2)c1 Clc1ccccc1[*:1] O=C(NCCNC(=O)[*:1])c1cnn(c1)-c1ccc(Br)cc1
O=C(NCCNC(=O)c1ccccc1Cl)c1cnn(-c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] O=C(NCCNC(=O)c1ccccc1Cl)c1cnn(c1)[*:1]
C=CCn1/c(=N\C(=O)Cc2ccc(S(C)(=O)=O)cc2)sc2cc(C)c(C)cc21 C=CC[*:1] Cc1cc2s/c(=N/C(=O)Cc3ccc(cc3)S(C)(=O)=O)n(c2cc1C)[*:1]
C=CCn1/c(=N\C(=O)Cc2ccc(S(C)(=O)=O)cc2)sc2cc(C)c(C)cc21 CS(=O)(=O)[*:1] C=CCn1/c(=N\C(=O)Cc2ccc(cc2)[*:1])sc2cc(C)c(C)cc21
COc1ccc([C@H](CNC(=O)c2cc3cc(Br)ccc3[nH]2)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1cc2cc(Br)ccc2[nH]1
O=C(Nc1ccnn1Cc1ccsc1)c1ccc(Cl)c([N+](=O)[O-])c1 c1cc(cs1)[*:1] O=C(Nc1ccnn1C[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(Nc1ccnn1Cc1ccsc1)c1ccc(Cl)c([N+](=O)[O-])c1 c1cc(cs1)C[*:1] O=C(Nc1ccnn1[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(Nc1ccnn1Cc1ccsc1)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccnn1Cc1ccsc1)c1ccc(Cl)c(c1)[*:1]
CCC(CC)[C@H](NC(=O)[C@@](C)([NH3+])CC)c1ccccc1 CCC(CC)[*:1] CC[C@](C)([NH3+])C(=O)N[C@H](c1ccccc1)[*:1]
CCC(CC)[C@H](NC(=O)[C@@](C)([NH3+])CC)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)[C@H](NC(=O)[C@@](C)([NH3+])CC)[*:1]
Nc1cncnc1NCc1ccccc1C(F)(F)F FC(F)(F)[*:1] Nc1cncnc1NCc1ccccc1[*:1]
CCN(C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)Cn1nnc(n1)-c1cccc(c1)C(F)(F)F)[*:1]
CCN(C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 FC(F)(F)[*:1] CCN(C(=O)Cn1nnc(n1)-c1cccc(c1)[*:1])c1ccccc1
O=C(c1cccc(Br)c1)N1CCN(C(=O)N2CCCCC2)CC1 Brc1cccc(c1)[*:1] O=C(N1CCCCC1)N1CCN(CC1)C(=O)[*:1]
O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 O=[N+]([O-])[*:1] O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[*:1])C1c3ccccc3C2(c2ccccc21)[N+](=O)[O-]
O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 O=[N+]([O-])c1ccccc1[*:1] O=C1[C@H]2[C@H](C(=O)N1[*:1])C1c3ccccc3C2(c2ccccc21)[N+](=O)[O-]
O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 O=[N+]([O-])[*:1] O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1c3ccccc3C2(c2ccccc21)[*:1]
O=C(c1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Br)OCCO2 O=[N+]([O-])[*:1] O=C(c1ccc(cc1)[*:1])c1cc2OCCOc2cc1Br
CC(C)Oc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 CC(C)Oc1ccc(cc1)C[*:1] C[C@]1(Cn2c(cc3ccccc32)C(=O)N1[*:1])C(=O)NC1CCCC1
CC(C)Oc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] CC(C)Oc1ccc(cc1)CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)N[*:1]
CC(C)Oc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 O=C(NC1CCCC1)[*:1] CC(C)Oc1ccc(cc1)CN1C(=O)c2cc3ccccc3n2C[C@]1(C)[*:1]
CC(C)Oc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 CC(C)Oc1ccc(cc1)[*:1] C[C@]1(Cn2c(cc3ccccc32)C(=O)N1C[*:1])C(=O)NC1CCCC1
CC(C)Oc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 CC(C)O[*:1] C[C@]1(Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(cc1)[*:1])C(=O)NC1CCCC1
CC(C)Oc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 CC(C)[*:1] C[C@]1(Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(cc1)O[*:1])C(=O)NC1CCCC1
Cc1cccc(CNC(=O)CCn2cnc3c(-c4ccc(F)cc4)noc3c2=O)c1 Cc1cccc(c1)[*:1] O=C(CCn1cnc2c(noc2c1=O)-c1ccc(F)cc1)NC[*:1]
Cc1cccc(CNC(=O)CCn2cnc3c(-c4ccc(F)cc4)noc3c2=O)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)CNC(=O)CCn1cnc2c(noc2c1=O)[*:1]
Cc1cccc(CNC(=O)CCn2cnc3c(-c4ccc(F)cc4)noc3c2=O)c1 Cc1cccc(c1)C[*:1] O=C(CCn1cnc2c(noc2c1=O)-c1ccc(F)cc1)N[*:1]
COc1cc[nH+]c(N2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1cc[nH+]c(c1)N1CC[NH+](CC1)C[C@H]1C[C@@H]1[*:1]
CN([C@@H](c1ccc(Cl)cc1)c1nccn1C)S(=O)(=O)c1ccc(Br)cc1Cl Clc1ccc(cc1)[*:1] CN([C@@H](c1nccn1C)[*:1])S(=O)(=O)c1ccc(Br)cc1Cl
CN([C@@H](c1ccc(Cl)cc1)c1nccn1C)S(=O)(=O)c1ccc(Br)cc1Cl Cn1ccnc1[*:1] CN([C@@H](c1ccc(Cl)cc1)[*:1])S(=O)(=O)c1ccc(Br)cc1Cl
CN([C@@H](c1ccc(Cl)cc1)c1nccn1C)S(=O)(=O)c1ccc(Br)cc1Cl Clc1cc(Br)ccc1[*:1] CN([C@@H](c1ccc(Cl)cc1)c1nccn1C)S(=O)(=O)[*:1]
CC(C)Cc1cc(C(=O)N[C@@H](Cc2ccco2)C(=O)[O-])on1 c1coc(c1)C[*:1] CC(C)Cc1cc(on1)C(=O)N[C@@H](C(=O)[O-])[*:1]
CC(C)Cc1cc(C(=O)N[C@@H](Cc2ccco2)C(=O)[O-])on1 CC(C)C[*:1] O=C(N[C@@H](Cc1ccco1)C(=O)[O-])c1cc(no1)[*:1]
CC(C)Cc1cc(C(=O)N[C@@H](Cc2ccco2)C(=O)[O-])on1 O=C([O-])[*:1] CC(C)Cc1cc(on1)C(=O)N[C@@H](Cc1ccco1)[*:1]
CC(C)Cc1cc(C(=O)N[C@@H](Cc2ccco2)C(=O)[O-])on1 CC(C)[*:1] O=C(N[C@@H](Cc1ccco1)C(=O)[O-])c1cc(C[*:1])no1
CC(C)Cc1cc(C(=O)N[C@@H](Cc2ccco2)C(=O)[O-])on1 c1coc(c1)[*:1] CC(C)Cc1cc(on1)C(=O)N[C@@H](C[*:1])C(=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC(C)C CC(C)C[*:1] Cc1ccc(c(C)c1NC(=O)N(C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC(C)C O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)N(C)CC(C)C)[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC(C)C CC(C)[*:1] Cc1ccc(c(C)c1NC(=O)N(C)C[*:1])[N+](=O)[O-]
Cc1csc([C@@H](C#N)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)n1 CS(=O)(=O)[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)c1ccc(Cl)c(c1)[*:1]
Cc1csc([C@@H](C#N)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)n1 Cc1csc(n1)[*:1] CS(=O)(=O)c1cc(ccc1Cl)C(=O)[C@H](C#N)[*:1]
COCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Br)cc1)C3=O COCCC[*:1] O=C1/C(=C/c2ccc(Br)cc2)Oc2c1ccc1OCN(Cc12)[*:1]
COCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Br)cc1)C3=O COC[*:1] O=C1/C(=C/c2ccc(Br)cc2)Oc2c1ccc1OCN(CC[*:1])Cc12
COCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Br)cc1)C3=O COCC[*:1] O=C1/C(=C/c2ccc(Br)cc2)Oc2c1ccc1OCN(Cc12)C[*:1]
COCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Br)cc1)C3=O Brc1ccc(cc1)[*:1] COCCCN1COc2ccc3C(=O)C(=C[*:1])Oc3c2C1
COc1ccc(CNC(=O)c2cc3cc(OC)ccc3oc2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc2oc(=O)c(cc2c1)C(=O)NC[*:1]
CC(C)N(C(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1ccc(F)cc1Cl CC(C)[*:1] Cn1cc(cn1)[C@H]1C[C@@H]1C(=O)N(c1ccc(F)cc1Cl)[*:1]
CC(C)N(C(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1ccc(F)cc1Cl Cn1cc(cn1)[*:1] CC(C)N(C(=O)[C@H]1C[C@H]1[*:1])c1ccc(F)cc1Cl
CC(C)(CNC(=O)C(=O)Nc1cccc(F)c1F)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)(CNC(=O)C(=O)Nc1cccc(F)c1F)[*:1]
CC(C)(CNC(=O)C(=O)Nc1cccc(F)c1F)c1ccccc1Cl Fc1cccc(c1F)[*:1] CC(C)(CNC(=O)C(=O)N[*:1])c1ccccc1Cl
COc1ccc(CC(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)cc1C COc1ccc(cc1C)C[*:1] O=C(N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1)[*:1]
COc1ccc(CC(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)cc1C c1cncc(c1)[*:1] COc1ccc(cc1C)CC(=O)N(C[*:1])c1nc2c(F)cc(F)cc2s1
COc1ccc(CC(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)cc1C COc1ccc(cc1C)[*:1] O=C(C[*:1])N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1
COc1ccc(CC(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)cc1C c1cncc(c1)C[*:1] COc1ccc(cc1C)CC(=O)N(c1nc2c(F)cc(F)cc2s1)[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)NCc2ncn(C)n2)C1 Cn1cnc(C[*:1])n1 CC(C)CN1CCO[C@@H](CNC(=O)N[*:1])C1
CC(C)CN1CCO[C@@H](CNC(=O)NCc2ncn(C)n2)C1 Cn1cnc(n1)[*:1] CC(C)CN1CCO[C@@H](CNC(=O)NC[*:1])C1
CC(C)CN1CCO[C@@H](CNC(=O)NCc2ncn(C)n2)C1 CC(C)[*:1] Cn1cnc(CNC(=O)NC[C@H]2CN(CCO2)C[*:1])n1
CC(C)CN1CCO[C@@H](CNC(=O)NCc2ncn(C)n2)C1 CC(C)C[*:1] Cn1cnc(CNC(=O)NC[C@H]2CN(CCO2)[*:1])n1
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)C(C#N)=C[*:1]
Cc1cccc(C(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)c1 Cc1cccc(c1)[*:1] Cc1cc2nc(cc(=O)n2o1)CSc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(C[NH2+][C@H](C)c2ccc([N-]S(C)(=O)=O)cc2)o1 Cc1ccc(C[*:1])o1 C[C@@H]([NH2+][*:1])c1ccc(cc1)[N-]S(C)(=O)=O
Cc1ccc(C[NH2+][C@H](C)c2ccc([N-]S(C)(=O)=O)cc2)o1 Cc1ccc(o1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(cc1)[N-]S(C)(=O)=O
COC1CCN(C(=O)[C@@H](NC(=O)CC(C)C)c2ccccc2)CC1 CC(C)C[*:1] COC1CCN(CC1)C(=O)[C@@H](NC(=O)[*:1])c1ccccc1
COC1CCN(C(=O)[C@@H](NC(=O)CC(C)C)c2ccccc2)CC1 CC(C)[*:1] COC1CCN(CC1)C(=O)[C@@H](NC(=O)C[*:1])c1ccccc1
COC1CCN(C(=O)[C@@H](NC(=O)CC(C)C)c2ccccc2)CC1 c1ccc(cc1)[*:1] COC1CCN(CC1)C(=O)[C@@H](NC(=O)CC(C)C)[*:1]
COC1CCN(C(=O)[C@@H](NC(=O)CC(C)C)c2ccccc2)CC1 CC(C)CC(=O)N[*:1] COC1CCN(CC1)C(=O)[C@@H](c1ccccc1)[*:1]
Cc1nnc(NC(=O)c2cc3cc(Br)ccc3o2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])c1cc2cc(Br)ccc2o1
C[NH+](C)[C@H]1CCN(C(=O)c2ccncc2/C=C/C(=O)[O-])C1 O=C([O-])[*:1] C[NH+](C)[C@H]1CCN(C1)C(=O)c1ccncc1C=C[*:1]
C[NH+](C)[C@H]1CCN(C(=O)c2ccncc2/C=C/C(=O)[O-])C1 O=C([O-])C=C[*:1] C[NH+](C)[C@H]1CCN(C1)C(=O)c1ccncc1[*:1]
COc1cccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1F NS(=O)(=O)[*:1] COc1cccc(C(=O)Nc2cc(cc(C)c2C)[*:1])c1F
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC[C@@H](C)O)c([N+](=O)[O-])c2)C1 C[C@@H](O)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC[C@@H](C)O)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(NC[C@@H](C)O)c(c1)[*:1]
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC[C@@H](C)O)c([N+](=O)[O-])c2)C1 C[C@@H](O)C[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC[C@@H](C)O)c([N+](=O)[O-])c2)C1 C[C@@H](O)CN[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC(C)n1c2c(c3ccccc31)[C@@H](c1ccccc1)N(CC(=O)[O-])C2=O O=C([O-])[*:1] CC(C)n1c2C(=O)N(C[*:1])[C@H](c3ccccc3)c2c2ccccc21
CC(C)n1c2c(c3ccccc31)[C@@H](c1ccccc1)N(CC(=O)[O-])C2=O O=C([O-])C[*:1] CC(C)n1c2C(=O)N([C@H](c3ccccc3)c2c2ccccc21)[*:1]
CC(C)n1c2c(c3ccccc31)[C@@H](c1ccccc1)N(CC(=O)[O-])C2=O CC(C)[*:1] O=C([O-])CN1C(=O)c2c(c3ccccc3n2[*:1])[C@H]1c1ccccc1
CC(C)n1c2c(c3ccccc31)[C@@H](c1ccccc1)N(CC(=O)[O-])C2=O c1ccc(cc1)[*:1] CC(C)n1c2C(=O)N(CC(=O)[O-])[C@H](c2c2ccccc21)[*:1]
CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(C(=O)N(C)C)cc1 CNC(=O)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)Nc1cc(Cl)ccc1[*:1]
CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)[*:1]
O=C(CCn1c(=O)c2sccc2n(Cc2c(F)cccc2Cl)c1=O)N1CCCCC1 O=C(CC[*:1])N1CCCCC1 O=c1c2sccc2n(Cc2c(F)cccc2Cl)c(=O)n1[*:1]
O=C(CCn1c(=O)c2sccc2n(Cc2c(F)cccc2Cl)c1=O)N1CCCCC1 Fc1cccc(Cl)c1C[*:1] O=C(CCn1c(=O)c2sccc2n(c1=O)[*:1])N1CCCCC1
O=C(CCn1c(=O)c2sccc2n(Cc2c(F)cccc2Cl)c1=O)N1CCCCC1 Fc1cccc(Cl)c1[*:1] O=C(CCn1c(=O)c2sccc2n(C[*:1])c1=O)N1CCCCC1
O=C(CCn1c(=O)c2sccc2n(Cc2c(F)cccc2Cl)c1=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=c1c2sccc2n(Cc2c(F)cccc2Cl)c(=O)n1CC[*:1]
O=C(CCn1c(=O)c2sccc2n(Cc2c(F)cccc2Cl)c1=O)N1CCCCC1 O=C(C[*:1])N1CCCCC1 O=c1c2sccc2n(Cc2c(F)cccc2Cl)c(=O)n1C[*:1]
O=C(CNC(=O)Cc1cccc2ccccc12)NCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CNC(=O)Cc1cccc2ccccc12)NC[*:1]
O=C(CNC(=O)Cc1cccc2ccccc12)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C(Cc1cccc2ccccc12)NCC(=O)N[*:1]
O=C(CNC(=O)Cc1cccc2ccccc12)NCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(CNC(=O)Cc1cccc2ccccc12)NCC[*:1]
CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](C1CC1)[*:1]
CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)C1CC1 C1CC1[*:1] CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)[*:1]
CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)C1CC1 CC[C@@H](C)[*:1] C[C@@](O)(C[NH2+][C@@H](c1ccccc1)C1CC1)[*:1]
O=C(Cn1nnc(-c2ccc(C[NH+]3CCCCC3)cc2)n1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cn1nnc(n1)-c1ccc(cc1)C[NH+]1CCCCC1)N[*:1]
O=C(CN1C(=O)CCC1=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(CN1C(=O)CCC1=O)NCC[C@@H]1CCCCN1S(=O)(=O)[*:1]
O=C(CN1C(=O)CCC1=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 O=C1CCC(=O)N1C[*:1] O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)[*:1]
O=C(CN1C(=O)CCC1=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 O=C1CCC(=O)N1[*:1] O=C(C[*:1])NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1
CCc1cccc(S(=O)(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1 CC(C)[*:1] CCc1cccc(c1)S(=O)(=O)Nc1ccc(C)c(c1)C(=O)N[*:1]
CCc1cccc(S(=O)(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1 CCc1cccc(c1)[*:1] Cc1ccc(cc1C(=O)NC(C)C)NS(=O)(=O)[*:1]
CCc1cccc(S(=O)(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1 CC(C)NC(=O)[*:1] CCc1cccc(c1)S(=O)(=O)Nc1ccc(C)c(c1)[*:1]
CC[C@H](C)C[NH2+][C@@H](C)c1cc(F)c(C)cc1F CC[C@H](C)[*:1] Cc1cc(F)c(cc1F)[C@H](C)[NH2+]C[*:1]
Cc1ccccc1OCCCSc1nncn1C Cn1cnnc1[*:1] Cc1ccccc1OCCCS[*:1]
CC1(C)CC2=NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]3[C@H](c3cccs3)C2=C([O-])C1 Fc1ccccc1[*:1] CC1(C)CC2=NC3=NC(=NC(=O)[C@@H]3[C@@H](C2=C([O-])C1)c1cccs1)SC[*:1]
CC1(C)CC2=NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]3[C@H](c3cccs3)C2=C([O-])C1 c1csc(c1)[*:1] CC1(C)CC2=NC3=NC(=NC(=O)[C@@H]3[C@H](C2=C([O-])C1)[*:1])SCc1ccccc1F
CC1(C)CC2=NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]3[C@H](c3cccs3)C2=C([O-])C1 Fc1ccccc1C[*:1] CC1(C)CC2=NC3=NC(=NC(=O)[C@@H]3[C@@H](C2=C([O-])C1)c1cccs1)S[*:1]
Cc1ccc(CNC(=O)NCC(=O)Nc2cccc(C#N)c2)cc1 Cc1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)CNC(=O)NC[*:1]
Cc1ccc(CNC(=O)NCC(=O)Nc2cccc(C#N)c2)cc1 Cc1ccc(cc1)C[*:1] N#Cc1cccc(c1)NC(=O)CNC(=O)N[*:1]
Cc1ccc(CNC(=O)NCC(=O)Nc2cccc(C#N)c2)cc1 N#Cc1cccc(c1)[*:1] Cc1ccc(cc1)CNC(=O)NCC(=O)N[*:1]
CC(=O)C(C)(C)CN1CC[C@@H]([NH+](C)C)C1 CC(=O)[*:1] C[NH+](C)[C@@H]1CCN(C1)CC(C)(C)[*:1]
CC[C@H](C)/C([O-])=N/S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](C)/C([O-])=N/S(=O)(=O)c1cc(F)cc(c1)[*:1]
C=CCOc1ccc(NC(=O)COc2ccccc2F)cc1 C=CCO[*:1] O=C(COc1ccccc1F)Nc1ccc(cc1)[*:1]
C=CCOc1ccc(NC(=O)COc2ccccc2F)cc1 C=CC[*:1] O=C(COc1ccccc1F)Nc1ccc(cc1)O[*:1]
C=CCOc1ccc(NC(=O)COc2ccccc2F)cc1 Fc1ccccc1[*:1] C=CCOc1ccc(cc1)NC(=O)CO[*:1]
COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1/C=C1\Oc2c(ccc3OCN(Cc32)C[*:1])C1=O
COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)CN1COc2ccc3C(=O)C(=C[*:1])Oc3c2C1
COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccccc2C)C4=O)cc1 COc1ccc(cc1)C[*:1] Cc1ccccc1/C=C1\Oc2c(ccc3OCN(Cc32)[*:1])C1=O
C[C@@H](OC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cc(nn1-c1ccccc1)[*:1])C(=O)c1c(N)n(C)c(=O)n(C)c1=O
C[C@@H](OC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cc(nn1[*:1])-c1ccccc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O
C[C@H](NC(=O)c1ccc2c([O-])[nH]c(=S)nc2c1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)c1ccc2c([O-])[nH]c(=S)nc2c1)C(=O)N[*:1]
C[C@H](NC(=O)c1ccc2c([O-])[nH]c(=S)nc2c1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](NC(=O)c1ccc2c([O-])[nH]c(=S)nc2c1)[*:1]
O=C(Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21)N1CCCC1 O=C(N1CCCC1)[*:1] Clc1ccc(OCc2nc3ccccc3n2C[*:1])c(Cl)c1
O=C(Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21)N1CCCC1 O=C(C[*:1])N1CCCC1 Clc1ccc(OCc2nc3ccccc3n2[*:1])c(Cl)c1
O=C(Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21)N1CCCC1 Clc1ccc(O[*:1])c(Cl)c1 O=C(Cn1c(C[*:1])nc2ccccc21)N1CCCC1
O=C(Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21)N1CCCC1 Clc1ccc(c(Cl)c1)[*:1] O=C(Cn1c(CO[*:1])nc2ccccc21)N1CCCC1
O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccccc1[*:1]
C#CCOc1ccccc1CNC1CC[NH+](CC(C)C)CC1 CC(C)[*:1] C#CCOc1ccccc1CNC1CC[NH+](CC1)C[*:1]
C#CCOc1ccccc1CNC1CC[NH+](CC(C)C)CC1 C#CCO[*:1] CC(C)C[NH+]1CCC(CC1)NCc1ccccc1[*:1]
C#CCOc1ccccc1CNC1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] C#CCOc1ccccc1CNC1CC[NH+](CC1)[*:1]
C#CCOc1ccccc1CNC1CC[NH+](CC(C)C)CC1 C#CC[*:1] CC(C)C[NH+]1CCC(CC1)NCc1ccccc1O[*:1]
CCCC(=O)N[C@H]1CCCN(c2cncc(Cl)n2)C1 CCC[*:1] O=C(N[C@H]1CCCN(C1)c1cncc(Cl)n1)[*:1]
CCCC(=O)N[C@H]1CCCN(c2cncc(Cl)n2)C1 CCCC(=O)N[*:1] Clc1cncc(n1)N1CCC[C@@H](C1)[*:1]
CC[C@H](Sc1ncnc2ccsc12)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](Sc1ncnc2ccsc12)C(=O)NC[*:1]
CC[C@H](Sc1ncnc2ccsc12)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CC[C@H](Sc1ncnc2ccsc12)C(=O)N[*:1]
C=CCc1cc(C=O)cc(C(C)C)c1OCCC C=CC[*:1] CCCOc1c(cc(C=O)cc1[*:1])C(C)C
C=CCc1cc(C=O)cc(C(C)C)c1OCCC CCCO[*:1] C=CCc1cc(C=O)cc(c1[*:1])C(C)C
C=CCc1cc(C=O)cc(C(C)C)c1OCCC CCC[*:1] C=CCc1cc(C=O)cc(c1O[*:1])C(C)C
C=CCc1cc(C=O)cc(C(C)C)c1OCCC CC(C)[*:1] C=CCc1cc(C=O)cc(c1OCCC)[*:1]
O=C([O-])C1=NN(c2ccccc2-c2ccccc2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C([O-])C1C[C@H](N(N=1)c1ccccc1-c1ccccc1)[*:1]
O=C([O-])C1=NN(c2ccccc2-c2ccccc2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C([O-])C1C[C@H](c2ccccc2)N(N=1)c1ccccc1[*:1]
C=CCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] C=CCN(C(=O)c1cc(ccc1[*:1])SC)c1ccccc1
C=CCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccccc1 C=CC[*:1] CSc1ccc(c(c1)C(=O)N(c1ccccc1)[*:1])[N+](=O)[O-]
C=CCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)c1cc(ccc1[N+](=O)[O-])SC)[*:1]
Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(CC(=O)NC1CCCC1)c1ccccc1 C1CCC(CC1)[*:1] Nc1c(nsc1C(=O)N(CC(=O)NC1CCCC1)c1ccccc1)C(=O)N[*:1]
Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(CC(=O)NC1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] Nc1c(nsc1C(=O)N(CC(=O)NC1CCCC1)[*:1])C(=O)NC1CCCCC1
Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(CC(=O)NC1CCCC1)c1ccccc1 O=C(NC1CCCC1)[*:1] Nc1c(nsc1C(=O)N(C[*:1])c1ccccc1)C(=O)NC1CCCCC1
Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(CC(=O)NC1CCCC1)c1ccccc1 O=C(NC1CCCCC1)[*:1] Nc1c(nsc1C(=O)N(CC(=O)NC1CCCC1)c1ccccc1)[*:1]
Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(CC(=O)NC1CCCC1)c1ccccc1 O=C(C[*:1])NC1CCCC1 Nc1c(nsc1C(=O)N(c1ccccc1)[*:1])C(=O)NC1CCCCC1
Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)N(CC(=O)NC1CCCC1)c1ccccc1 C1CCC(C1)[*:1] Nc1c(nsc1C(=O)N(CC(=O)N[*:1])c1ccccc1)C(=O)NC1CCCCC1
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(S(C)(=O)=O)c1 Clc1cccc(Cl)c1[*:1] CN(CC(=O)N[*:1])C(=O)c1cccc(c1)S(C)(=O)=O
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(c1)[*:1]
CCc1ccc(C(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)o1 CCc1ccc(o1)[*:1] CC[NH+]1CCN(CC1)C(=O)Cc1ccc(cc1)NC(=O)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1cc2cccc(OC)c2o1 CC(C)C[*:1] COC(=O)[C@H](NC(=O)c1cc2cccc(OC)c2o1)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1cc2cccc(OC)c2o1 CC(C)[*:1] COC(=O)[C@H](C[*:1])NC(=O)c1cc2cccc(OC)c2o1
COC(=O)[C@H](CC(C)C)NC(=O)c1cc2cccc(OC)c2o1 COC(=O)[*:1] COc1cccc2cc(oc12)C(=O)N[C@@H](CC(C)C)[*:1]
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1C2C(=O)C[C@@H](CC=2Nc2ccccc2N1C(=O)CCC(=O)[O-])[*:1]
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CCC(=O)[O-])[C@H]2[*:1]
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(C)cc2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CC[*:1])[C@@H]2c1ccc(C)cc1
C=C(CC)C/C=C/CC[NH2+]CC C=C(CC)[*:1] CC[NH2+]CC/C=C/C[*:1]
C=C(CC)C/C=C/CC[NH2+]CC CC[NH2+]C[*:1] C=C(CC)C/C=C/C[*:1]
CCn1nc(C)c(CN(C)S(=O)(=O)c2cnn(C)c2C)c1C Cc1c(cnn1C)[*:1] CCn1nc(C)c(CN(C)S(=O)(=O)[*:1])c1C
Cc1cc(Cl)ccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C CC(C)[*:1] Cc1cc(Cl)ccc1OCC(=O)Nc1c(cccc1[*:1])C(C)C
Cc1cc(Cl)ccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C Cc1cc(Cl)ccc1[*:1] CC(C)c1cccc(c1NC(=O)CO[*:1])C(C)C
O=C(C[C@@H](O)c1ccccc1)N[C@@H]1C[C@@H]2CCCc3cccc1c32 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
O=C(C[C@@H](O)c1ccccc1)N[C@@H]1C[C@@H]2CCCc3cccc1c32 O[C@@H](c1ccccc1)[*:1] O=C(C[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
O=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)N1CCCCCC1 Clc1ccc(cc1)[*:1] O=C(Cn1cc(c2ccccc21)S(=O)(=O)C[*:1])N1CCCCCC1
O=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=S(=O)(Cc1ccc(Cl)cc1)c1cn(C[*:1])c2ccccc12
O=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)N1CCCCCC1 O=C(C[*:1])N1CCCCCC1 O=S(=O)(Cc1ccc(Cl)cc1)c1cn(c2ccccc12)[*:1]
O=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)N1CCCCCC1 Clc1ccc(cc1)C[*:1] O=C(Cn1cc(c2ccccc21)S(=O)(=O)[*:1])N1CCCCCC1
C[C@@H]([NH3+])c1cccc(O[C@H](C)C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H]([NH3+])c1cccc(c1)O[C@H](C)[*:1]
C[C@@H]([NH3+])c1cccc(O[C@H](C)C(F)(F)F)c1 C[C@@H]([NH3+])[*:1] C[C@@H](Oc1cccc(c1)[*:1])C(F)(F)F
CCOC(=O)c1nnn(OC)c1/N=C/c1ccccc1 CCOC(=O)[*:1] COn1nnc(c1/N=C/c1ccccc1)[*:1]
CCOC(=O)c1nnn(OC)c1/N=C/c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1nnn(OC)c1N=C[*:1]
Cc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)-n1nnnc1S[C@H](c1ccccc1)[*:1]
Cc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CC1)[C@@H](Sc1nnnn1[*:1])c1ccccc1
Cc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nnnc1S[C@H](C(=O)NC1CC1)[*:1]
Cc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1 C1CC1[*:1] Cc1ccc(cc1)-n1nnnc1S[C@H](C(=O)N[*:1])c1ccccc1
C[NH+](Cc1nc2ccccc2o1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] C[NH+](Cc1nc2ccccc2o1)Cc1cn(nc1-c1ccc2OCOc2c1)[*:1]
C[NH+](Cc1nc2ccccc2o1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 c1ccc2oc(nc2c1)[*:1] C[NH+](Cc1cn(nc1-c1ccc2OCOc2c1)-c1ccccc1)C[*:1]
C[NH+](Cc1nc2ccccc2o1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[NH+](Cc1nc2ccccc2o1)Cc1cn(nc1[*:1])-c1ccccc1
CC[C@@H](C)NC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 CC[C@@H](C)NC(=O)[*:1] C[C@H](Nc1ccc(c2cnccc12)[N+](=O)[O-])[*:1]
CC[C@@H](C)NC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 O=[N+]([O-])[*:1] CC[C@@H](C)NC(=O)[C@H](C)Nc1ccc(c2cnccc12)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 CC[C@@H](C)[*:1] C[C@H](Nc1ccc(c2cnccc12)[N+](=O)[O-])C(=O)N[*:1]
COc1ccc(C[NH+]2CCC(Cn3nc(C)cc3C)CC2)cc1O Cc1cc(C)n(C[*:1])n1 COc1ccc(cc1O)C[NH+]1CCC(CC1)[*:1]
COc1ccc(C[NH+]2CCC(Cn3nc(C)cc3C)CC2)cc1O Cc1cc(C)n(n1)[*:1] COc1ccc(cc1O)C[NH+]1CCC(CC1)C[*:1]
CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/N[*:1]
CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1cc(C)ccc1C c1ccc(cc1)C[*:1] CC1=C(C#N)C(=O)N(C[*:1])C(=O)/C1=C/Nc1cc(C)ccc1C
CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1cc(C)ccc1C c1ccc(cc1)[*:1] CC1=C(C#N)C(=O)N(CC[*:1])C(=O)/C1=C/Nc1cc(C)ccc1C
CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1cc(C)ccc1C Cc1ccc(C)c(c1)N[*:1] CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=C[*:1]
CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1cc(C)ccc1C c1ccc(cc1)CC[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C/Nc1cc(C)ccc1C)[*:1]
COc1ccc(/C(C)=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)/C(C)=N/NC(=O)[C@H](NC(=O)[*:1])c1n[nH]c(=O)c2ccccc12
COc1ccc(/C(C)=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 O=C(N[*:1])c1ccccc1 COc1ccc(cc1)/C(C)=N/NC(=O)[C@H](c1n[nH]c(=O)c2ccccc12)[*:1]
COc1ccc(/C(C)=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 COc1ccc(cc1)[*:1] CC(=NNC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12)[*:1]
CSCc1cc(F)ccc1CNC(=O)[C@@H]1CCCOC1 CSC[*:1] O=C(NCc1ccc(F)cc1[*:1])[C@@H]1CCCOC1
CSCc1cc(F)ccc1CNC(=O)[C@@H]1CCCOC1 C1COC[C@@H](C1)[*:1] CSCc1cc(F)ccc1CNC(=O)[*:1]
Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(N(C)C)[nH+]n1)C2 CN(C)[*:1] Cc1cn2C[C@@H](CCc2[nH+]1)NC(=O)c1ccc([nH+]n1)[*:1]
COc1cccc(CN2CCN(C(=O)c3cccc(Cn4cccn4)c3)CC2)c1 c1cnn(c1)[*:1] COc1cccc(c1)CN1CCN(CC1)C(=O)c1cccc(c1)C[*:1]
COc1cccc(CN2CCN(C(=O)c3cccc(Cn4cccn4)c3)CC2)c1 COc1cccc(c1)C[*:1] O=C(c1cccc(c1)Cn1cccn1)N1CCN(CC1)[*:1]
COc1cccc(CN2CCN(C(=O)c3cccc(Cn4cccn4)c3)CC2)c1 COc1cccc(c1)[*:1] O=C(c1cccc(c1)Cn1cccn1)N1CCN(CC1)C[*:1]
COc1cccc(CN2CCN(C(=O)c3cccc(Cn4cccn4)c3)CC2)c1 c1cnn(c1)C[*:1] COc1cccc(c1)CN1CCN(CC1)C(=O)c1cccc(c1)[*:1]
O=C(c1cc(F)ccc1O)N1CCN(Cc2ccco2)CC1 c1coc(c1)C[*:1] O=C(c1cc(F)ccc1O)N1CCN(CC1)[*:1]
O=C(c1cc(F)ccc1O)N1CCN(Cc2ccco2)CC1 c1coc(c1)[*:1] O=C(c1cc(F)ccc1O)N1CCN(CC1)C[*:1]
Cc1ccnc(-n2c(S[C@@H](C)C(=O)NC(C)C)nc3ccccc3c2=O)c1 CC(C)NC(=O)[*:1] Cc1ccnc(c1)-n1c(nc2ccccc2c1=O)S[C@@H](C)[*:1]
Cc1ccnc(-n2c(S[C@@H](C)C(=O)NC(C)C)nc3ccccc3c2=O)c1 CC(C)[*:1] Cc1ccnc(c1)-n1c(nc2ccccc2c1=O)S[C@@H](C)C(=O)N[*:1]
Cc1ccnc(-n2c(S[C@@H](C)C(=O)NC(C)C)nc3ccccc3c2=O)c1 Cc1ccnc(c1)[*:1] CC(C)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[*:1]
Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3ncnn3C)cc2)cc1 Cn1ncnc1[*:1] Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C[*:1]
Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3ncnn3C)cc2)cc1 Cn1ncnc1C[*:1] Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)[*:1]
Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3ncnn3C)cc2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1ncnn1C)C(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3ncnn3C)cc2)cc1 Cc1ccc(cc1)O[*:1] CN(Cc1ncnn1C)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2n[nH]c(=O)n2C)C1 CC(C)[*:1] Cn1c(n[nH]c1=O)S[C@H]1CCC[C@](C1)([NH2+][*:1])C(N)=O
CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2n[nH]c(=O)n2C)C1 NC(=O)[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H](C1)Sc1n[nH]c(=O)n1C)[*:1]
CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2n[nH]c(=O)n2C)C1 Cn1c(n[nH]c1=O)[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H](C1)S[*:1])C(N)=O
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3cccnc3)nn1-c1cccc(Cl)c1)C2 O=C(Nc1cccnc1)[*:1] COc1cc2Cc3c(nn(-c4cccc(Cl)c4)c3-c2cc1OC)[*:1]
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3cccnc3)nn1-c1cccc(Cl)c1)C2 Clc1cccc(c1)[*:1] COc1cc2Cc3c(nn(c3-c2cc1OC)[*:1])C(=O)Nc1cccnc1
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3cccnc3)nn1-c1cccc(Cl)c1)C2 c1cncc(c1)[*:1] COc1cc2Cc3c(nn(-c4cccc(Cl)c4)c3-c2cc1OC)C(=O)N[*:1]
O=C(NCc1ccco1)[C@H]1CCCN1C(=O)C1CCC1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN1C(=O)C1CCC1
O=C(NCc1ccco1)[C@H]1CCCN1C(=O)C1CCC1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)C1CCC1
O=C(NCc1ccco1)[C@H]1CCCN1C(=O)C1CCC1 C1CC(C1)[*:1] O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[*:1]
CC[C@H](CC1CCCCC1)C(=O)N1CC[S@](=O)C(C)(C)C1 C1CCC(CC1)C[*:1] CC[C@H](C(=O)N1CC[S@](=O)C(C)(C)C1)[*:1]
CC[C@H](CC1CCCCC1)C(=O)N1CC[S@](=O)C(C)(C)C1 C1CCC(CC1)[*:1] CC[C@H](C[*:1])C(=O)N1CC[S@](=O)C(C)(C)C1
CC[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C CC(C)(C)[*:1] CC[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)O[*:1]
CC[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C CC[C@H](C)[*:1] C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)[*:1]
CCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN12 c1ccc(cc1)[*:1] CCC[C@@H]1Oc2ccccc2[C@@H]2CC(=NN12)[*:1]
CCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN12 CCC[*:1] c1ccc(cc1)C1C[C@H]2c3ccccc3O[C@H](N2N=1)[*:1]
CC[C@@H](C[NH+]1CCCC1)n1cncc1-c1c(-c2ccccc2)nn(C)c1C c1ccc(cc1)[*:1] CC[C@@H](C[NH+]1CCCC1)n1cncc1-c1c(nn(C)c1C)[*:1]
Cn1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)N2CCO[C@H](C2)C(N)=O)c(n1)[*:1]
Cn1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)c(C(C)(C)C)n1 NC(=O)[*:1] Cn1cc(C(=O)N2CCO[C@@H](C2)[*:1])c(n1)C(C)(C)C
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C1C[C@@H](C)O[C@H](C)C1 O=C(N1CCCC1)[*:1] Cc1cc(ccc1NC(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)c1ccc(F)cc1 Clc1ccc(s1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1ccc(F)cc1
CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 CC(=O)N[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])[NH+]1C[C@H](C)C[C@@H](C)C1
Cc1ccc([C@@H]2CN(C[C@H](C#N)CCC#N)CCO2)c(C)c1 N#CC[*:1] Cc1ccc(c(C)c1)[C@@H]1CN(CCO1)C[C@H](C#N)C[*:1]
Cc1ccc([C@@H]2CN(C[C@H](C#N)CCC#N)CCO2)c(C)c1 N#CCC[*:1] Cc1ccc(c(C)c1)[C@@H]1CN(CCO1)C[C@H](C#N)[*:1]
Cc1nc(C(=O)N2CCC(C)(c3[nH]ncc3C(N)=O)CC2)co1 Cc1nc(co1)[*:1] CC1(CCN(CC1)C(=O)[*:1])c1[nH]ncc1C(N)=O
Cc1nc(C(=O)N2CCC(C)(c3[nH]ncc3C(N)=O)CC2)co1 NC(=O)[*:1] Cc1nc(co1)C(=O)N1CCC(C)(CC1)c1[nH]ncc1[*:1]
COc1cc(C)c(C(=O)NCCOc2ccc(F)cc2F)cc1OC Fc1ccc(c(F)c1)[*:1] COc1cc(C)c(cc1OC)C(=O)NCCO[*:1]
Cc1noc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)NC(=O)C[C@H](NC(=O)c1ccccc1)[*:1]
Cc1noc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)NC(=O)C[C@H](NC(=O)[*:1])c1ccccc1
Cc1noc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)n1 Cc1noc(n1)[*:1] O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[*:1]
CC(C)c1n[nH]c2c1CN(C(=O)c1cccc3ccnn13)CC2 CC(C)[*:1] O=C(c1cccc2ccnn12)N1CCc2[nH]nc(c2C1)[*:1]
COc1cccc([C@@H](C)CC(=O)[C@@H](C#N)c2nc3ccccc3n2C)c1 COc1cccc(c1)[*:1] C[C@@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C)[*:1]
Fc1ccc(C[NH+]2CCC(NC3CCSCC3)CC2)cc1 C1CC(CCS1)[*:1] Fc1ccc(cc1)C[NH+]1CCC(CC1)N[*:1]
Fc1ccc(C[NH+]2CCC(NC3CCSCC3)CC2)cc1 Fc1ccc(cc1)[*:1] C1CC(CCS1)NC1CC[NH+](CC1)C[*:1]
Fc1ccc(C[NH+]2CCC(NC3CCSCC3)CC2)cc1 C1CC(CCS1)N[*:1] Fc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CC1(C)CCC[C@]1(C#N)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC1(C)CCC[C@]1(C#N)NC[*:1]
O=C(NCC1N=CC=N1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 Clc1ccc(cc1)C[*:1] O=C(NCC1N=CC=N1)[C@H]1CCC(=O)N(C1)C[*:1]
O=C(NCC1N=CC=N1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(NCC1N=CC=N1)[C@H]1CCC(=O)N(CC[*:1])C1
COc1cccc([C@@H]2CN(C(=O)COc3c(C)cccc3C)C[C@]23CCCCC(=O)N3)c1 Cc1cccc(C)c1[*:1] COc1cccc(c1)[C@@H]1CN(C[C@]12CCCCC(=O)N2)C(=O)CO[*:1]
COc1cccc([C@@H]2CN(C(=O)COc3c(C)cccc3C)C[C@]23CCCCC(=O)N3)c1 Cc1cccc(C)c1O[*:1] COc1cccc(c1)[C@@H]1CN(C[C@]12CCCCC(=O)N2)C(=O)C[*:1]
COc1cccc([C@@H]2CN(C(=O)COc3c(C)cccc3C)C[C@]23CCCCC(=O)N3)c1 COc1cccc(c1)[*:1] Cc1cccc(C)c1OCC(=O)N1C[C@H]([C@@]2(CCCCC(=O)N2)C1)[*:1]
COc1cccc([C@@H]2CN(C(=O)COc3c(C)cccc3C)C[C@]23CCCCC(=O)N3)c1 Cc1cccc(C)c1OC[*:1] COc1cccc(c1)[C@@H]1CN(C[C@]12CCCCC(=O)N2)C(=O)[*:1]
CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2ccsc2)NC(=S)N1 CC(C)[*:1] CC1NC(=S)N[C@H](C=1C(=O)Nc1ccccc1[*:1])c1ccsc1
CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2ccsc2)NC(=S)N1 c1cc(cs1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1ccccc1C(C)C)[*:1]
CC(C)Cn1c(N2CCN(Cc3c(Cl)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C CC(C)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)Cc1c(Cl)cccc1Cl)n2C[*:1]
CC(C)Cn1c(N2CCN(Cc3c(Cl)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C CC(C)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)Cc1c(Cl)cccc1Cl)n2[*:1]
CC(C)Cn1c(N2CCN(Cc3c(Cl)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C Clc1cccc(Cl)c1[*:1] CC(C)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)C[*:1]
CC(C)Cn1c(N2CCN(Cc3c(Cl)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C Clc1cccc(Cl)c1C[*:1] CC(C)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)[*:1]
CC(=O)N[C@H](CC(=O)[C@H](C#N)C(=O)NC1CCCCC1)c1ccccc1 CC(=O)N[*:1] N#C[C@@H](C(=O)C[C@H](c1ccccc1)[*:1])C(=O)NC1CCCCC1
CC(=O)N[C@H](CC(=O)[C@H](C#N)C(=O)NC1CCCCC1)c1ccccc1 C1CCC(CC1)[*:1] CC(=O)N[C@H](CC(=O)[C@H](C#N)C(=O)N[*:1])c1ccccc1
CC(=O)N[C@H](CC(=O)[C@H](C#N)C(=O)NC1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)[C@H](C#N)C(=O)NC1CCCCC1)[*:1]
Cc1ncccc1C(=O)Nc1ccccc1O[C@H]1CCOC1 Cc1ncccc1[*:1] O=C(Nc1ccccc1O[C@H]1CCOC1)[*:1]
Cc1ncccc1C(=O)Nc1ccccc1O[C@H]1CCOC1 C1C[C@@H](CO1)O[*:1] Cc1ncccc1C(=O)Nc1ccccc1[*:1]
O=C(NCc1ccncc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCc1ccncc1)Nc1ccc(Cl)c(c1)[*:1]
O=C(NCc1ccncc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 c1cc(ccn1)C[*:1] O=C(Nc1ccc(Cl)c(c1)[N+](=O)[O-])N[*:1]
O=C(NCc1ccncc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 c1cc(ccn1)[*:1] O=C(NC[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(Nc1ccnc(Cl)c1)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(Nc1ccnc(Cl)c1)N1CCN(CC1)[*:1]
O=C(Nc1ccnc(Cl)c1)N1CCN(c2ccccc2O)CC1 Clc1cc(ccn1)[*:1] O=C(N[*:1])N1CCN(CC1)c1ccccc1O
O=C(c1cccc2ncccc12)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1cccc2ncccc12)N1CCC[C@@H]1[*:1]
O=C(c1cccc2ncccc12)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1cccc2ncccc12)N1CCC[C@H]1C[*:1]
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] O=C(Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1)[*:1]
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cc2ccccc2o1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1cc2ccccc2o1
CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2cnc3onc(C)c3c2)c1 CC(=O)N(C)[*:1] Cc1noc2ncc(cc12)S(=O)(=O)[N-]c1cccc(c1)[*:1]
CN1CCN(C)C1=NSc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN1CCN(C)C1=NSc1ccccc1[*:1]
CC[NH+](CC)[C@@H]1CCN(c2nc(C(F)F)nc3ccccc23)C1 FC(F)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)c1nc(nc2ccccc12)[*:1]
C[C@@H](C#N)[C@H](O)[C@H]1CC=CCC1 C[C@@H](C#N)[*:1] O[C@H]([C@H]1CC=CCC1)[*:1]
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2ccc(Cl)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CO[*:1])NNC(=O)Nc1ccc(Cl)cc1
Cc1ccc(C)c(OCC(=O)NNC(=O)Nc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)OCC(=O)NNC(=O)N[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(-c2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(no1)[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(-c2cccc(Cl)c2)no1 NC(=O)[*:1] Clc1cccc(c1)-c1noc(CN2Cc3ccccc3C[C@H]2[*:1])n1
CC[C@H](C)[C@@H](O)c1ccc(Br)o1 CC[C@H](C)[*:1] O[C@@H](c1ccc(Br)o1)[*:1]
CC[C@@H]([NH3+])C(=O)NCCOCC(=O)[O-] O=C([O-])C[*:1] CC[C@@H]([NH3+])C(=O)NCCO[*:1]
CC[C@@H]([NH3+])C(=O)NCCOCC(=O)[O-] O=C([O-])[*:1] CC[C@@H]([NH3+])C(=O)NCCOC[*:1]
COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Cl)c3)[nH]n2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)-c1cc([nH]n1)C(=O)NN=C[*:1]
COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Cl)c3)[nH]n2)cc1 COc1ccc(cc1)[*:1] O=C(N/N=C/c1cccc(Cl)c1)c1cc(n[nH]1)[*:1]
CCCC(=O)OCC(=O)N1CCc2ccccc21 CCC[*:1] O=C(COC(=O)[*:1])N1CCc2ccccc21
CCCC(=O)OCC(=O)N1CCc2ccccc21 CCCC(=O)O[*:1] O=C(C[*:1])N1CCc2ccccc21
CC1(C)Cc2c(sc(NC(=O)C(=O)N(CCO)Cc3ccccc3)c2C(N)=O)CO1 c1ccc(cc1)[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N(CCO)C[*:1])c2C(N)=O
CC1(C)Cc2c(sc(NC(=O)C(=O)N(CCO)Cc3ccccc3)c2C(N)=O)CO1 NC(=O)[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N(CCO)Cc1ccccc1)c2[*:1]
CC1(C)Cc2c(sc(NC(=O)C(=O)N(CCO)Cc3ccccc3)c2C(N)=O)CO1 c1ccc(cc1)C[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N(CCO)[*:1])c2C(N)=O
CC1(C)Cc2c(sc(NC(=O)C(=O)N(CCO)Cc3ccccc3)c2C(N)=O)CO1 OCC[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N(Cc1ccccc1)[*:1])c2C(N)=O
COC(=O)c1ccc(Oc2ncnc(NCc3ccc(C)cc3)c2N)cc1 COC(=O)[*:1] Cc1ccc(cc1)CNc1ncnc(Oc2ccc(cc2)[*:1])c1N
COC(=O)c1ccc(Oc2ncnc(NCc3ccc(C)cc3)c2N)cc1 Cc1ccc(cc1)CN[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(c1N)[*:1]
COC(=O)c1ccc(Oc2ncnc(NCc3ccc(C)cc3)c2N)cc1 Cc1ccc(cc1)C[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(N[*:1])c1N
COC(=O)c1ccc(Oc2ncnc(NCc3ccc(C)cc3)c2N)cc1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(NC[*:1])c1N
N#CCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 N#CC[*:1] O=C(c1ccco1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
N#CCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 c1coc(c1)[*:1] N#CCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CN1C(=O)c2ccc(NC(=O)C[C@@](C)(C(=O)[O-])c3ccccc3)cc2C1=O c1ccc(cc1)[*:1] CN1C(=O)c2ccc(cc2C1=O)NC(=O)C[C@@](C)(C(=O)[O-])[*:1]
CN1C(=O)c2ccc(NC(=O)C[C@@](C)(C(=O)[O-])c3ccccc3)cc2C1=O O=C([O-])[*:1] CN1C(=O)c2ccc(cc2C1=O)NC(=O)C[C@@](C)(c1ccccc1)[*:1]
CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)N4CCCCC4)CC3)c2c1 O=C(N1CCCCC1)[*:1] CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC3)C[*:1])c2c1
CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)N4CCCCC4)CC3)c2c1 O=C(C[*:1])N1CCCCC1 CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC3)[*:1])c2c1
C[C@@H]1CCCC[C@@H]1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 C[C@@H]1CCCC[C@H]1[*:1] O=C(N[*:1])C1C=CC2=NS(=O)(=O)CCN2C=1
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1ccc(Cl)cc1Cl NC(=O)[*:1] C[C@@H]1CC[C@H](CN1C(=O)Cc1ccc(Cl)cc1Cl)[*:1]
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1nc2ccccc2c(=O)o1 O=[N+]([O-])[*:1] O=C1c2ccc(cc2C(=O)N1Cc1nc2ccccc2c(=O)o1)[*:1]
CCOCCNC(=O)CNc1c(F)cc(Br)cc1F CCOCC[*:1] O=C(CNc1c(F)cc(Br)cc1F)N[*:1]
CCOCCNC(=O)CNc1c(F)cc(Br)cc1F CCOC[*:1] O=C(CNc1c(F)cc(Br)cc1F)NC[*:1]
CCOCCNC(=O)CNc1c(F)cc(Br)cc1F CCO[*:1] O=C(CNc1c(F)cc(Br)cc1F)NCC[*:1]
CCC1(CC)[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@H](C)[C@@H]1OC Cc1cc(n[nH]1)[*:1] CCC1(CC)[C@@H](NC(=O)C[*:1])[C@H](C)[C@@H]1OC
CCC1(CC)[C@@H](NC(=O)Cc2cc(C)[nH]n2)[C@H](C)[C@@H]1OC Cc1cc(C[*:1])n[nH]1 CCC1(CC)[C@@H](NC(=O)[*:1])[C@H](C)[C@@H]1OC
O=C(NCCCNc1ncccn1)Nc1cccc2cccnc12 c1cnc(nc1)[*:1] O=C(NCCCN[*:1])Nc1cccc2cccnc12
O=C(NCCCNc1ncccn1)Nc1cccc2cccnc12 c1cnc(nc1)N[*:1] O=C(NCCC[*:1])Nc1cccc2cccnc12
O=C(NCCCNc1ncccn1)Nc1cccc2cccnc12 c1cnc(nc1)NC[*:1] O=C(NCC[*:1])Nc1cccc2cccnc12
Cc1cc(C)cc(OCCCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CCCO[*:1]
Cc1cc(C)cc(OCCCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 Cc1cc(C)cc(c1)O[*:1] O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CCC[*:1]
Cc1cccnc1NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cccnc1NC(=O)[C@H](C)n1nnc(n1)[*:1]
Cc1cccnc1NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 Cc1cccnc1[*:1] C[C@@H](C(=O)N[*:1])n1nnc(n1)-c1ccccc1
O=C(NCC1CCC1)C(=O)Nc1cc(Br)ccc1F C1CC(C1)[*:1] O=C(NC[*:1])C(=O)Nc1cc(Br)ccc1F
O=C(NCC1CCC1)C(=O)Nc1cc(Br)ccc1F C1CC(C1)C[*:1] O=C(Nc1cc(Br)ccc1F)C(=O)N[*:1]
O=C(Nc1ccc(N2CCOCC2)cn1)C1CCC(c2ccccc2)CC1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cn1)[*:1])C1CCC(CC1)c1ccccc1
O=C(Nc1ccc(N2CCOCC2)cn1)C1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cn1)N1CCOCC1)C1CCC(CC1)[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1cc(CS(=O)(=O)CC(=O)N(C(C)C)C(C)C)on1 Cc1cc(on1)[*:1] CC(C)N(C(=O)CS(=O)(=O)C[*:1])C(C)C
Cc1cc(CS(=O)(=O)CC(=O)N(C(C)C)C(C)C)on1 CC(C)[*:1] Cc1cc(CS(=O)(=O)CC(=O)N(C(C)C)[*:1])on1
COc1ccc(NC(=O)c2ccc(NC(=S)Nc3ccc(Cl)cc3Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=S)Nc1ccc(Cl)cc1Cl
COc1ccc(NC(=O)c2ccc(NC(=S)Nc3ccc(Cl)cc3Cl)cc2)cc1 Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=S)N[*:1]
O=C([O-])c1ccc2c(c1)OCCOCCOCCO2 O=C([O-])[*:1] c1cc2OCCOCCOCCOc2cc1[*:1]
COc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3cccn3)CC2)cc1 COc1ccc(cc1)[*:1] c1cnn(c1)C1CC[NH+](CC1)Cc1c[nH]nc1[*:1]
COc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3cccn3)CC2)cc1 c1cnn(c1)[*:1] COc1ccc(cc1)-c1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
CNC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1 CC(C)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)[C@H]1CCCN(C1)C(=O)NC[*:1]
CNC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1 CC(C)C[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CNC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1 CNC(=O)[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(cc1)C[*:1]
CNC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1 CNC(=O)C[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C[C@H](O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] C[C@@H]1C[C@H](c2cccc(F)c2)N(C1)C(=O)C[C@H](O)[*:1]
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C[C@H](O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] C[C@@H]1C[C@H](N(C1)C(=O)C[C@H](O)c1cccc(F)c1)[*:1]
CC(C)(C)C(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 c1cncc(c1)[*:1] CC(C)(C)C(=O)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
CC(C)(C)C(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 CC(C)(C)[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)[*:1])CN1Cc1cccnc1
CC(C)(C)C(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 c1cncc(c1)C[*:1] CC(C)(C)C(=O)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
CCC[NH2+][C@H](CC)[C@H]1CN2CCC[C@@H]2CO1 CCC[*:1] CC[C@@H]([NH2+][*:1])[C@H]1CN2CCC[C@@H]2CO1
C[C@H]1Cc2cc(C(=O)N3CCC[C@H](c4cnccn4)C3)ccc2O1 c1cnc(cn1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)N1CCC[C@H](C1)[*:1]
CCCCN1C[C@@H](C(=O)[O-])CC1=O CCCC[*:1] O=C([O-])[C@H]1CC(=O)N(C1)[*:1]
CCCCN1C[C@@H](C(=O)[O-])CC1=O CCC[*:1] O=C([O-])[C@H]1CC(=O)N(C1)C[*:1]
CCCCN1C[C@@H](C(=O)[O-])CC1=O O=C([O-])[*:1] CCCCN1C[C@@H](CC1=O)[*:1]
Cc1ccc(C(=O)C2CCN(C(=O)NCCCc3cn[nH]c3C)CC2)cc1 Cc1[nH]ncc1C[*:1] Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)NCC[*:1]
Cc1ccc(C(=O)C2CCN(C(=O)NCCCc3cn[nH]c3C)CC2)cc1 Cc1[nH]ncc1CC[*:1] Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)NC[*:1]
Cc1ccc(C(=O)C2CCN(C(=O)NCCCc3cn[nH]c3C)CC2)cc1 Cc1[nH]ncc1[*:1] Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)NCCC[*:1]
Cc1ccc(C(=O)C2CCN(C(=O)NCCCc3cn[nH]c3C)CC2)cc1 Cc1ccc(cc1)C(=O)[*:1] Cc1[nH]ncc1CCCNC(=O)N1CCC(CC1)[*:1]
Cc1ccc(C(=O)C2CCN(C(=O)NCCCc3cn[nH]c3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1[nH]ncc1CCCNC(=O)N1CCC(CC1)C(=O)[*:1]
Cc1ccc(C(=O)C2CCN(C(=O)NCCCc3cn[nH]c3C)CC2)cc1 Cc1[nH]ncc1CCC[*:1] Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)N[*:1]
O=C(CCc1ccsc1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(CCc1ccsc1)N1CCC(CC1)O[*:1]
O=C(CCc1ccsc1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCc1ccsc1)N1CCC(CC1)OC[*:1]
O=C(CCc1ccsc1)N1CCC(OCc2ccc(F)cc2)CC1 c1cc(cs1)C[*:1] O=C(C[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(CCc1ccsc1)N1CCC(OCc2ccc(F)cc2)CC1 c1cc(cs1)[*:1] O=C(CC[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(CCc1ccsc1)N1CCC(OCc2ccc(F)cc2)CC1 c1cc(cs1)CC[*:1] O=C(N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
COC(=O)c1ccccc1N(C)c1[nH+]cnc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1N COC(=O)[*:1] CN(c1ccccc1[*:1])c1[nH+]cnc(c1N)N1CC[NH+](CC1)Cc1ccc2OCOc2c1
COC(=O)c1ccccc1N(C)c1[nH+]cnc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1N c1cc2OCOc2cc1C[*:1] COC(=O)c1ccccc1N(C)c1[nH+]cnc(c1N)N1CC[NH+](CC1)[*:1]
COC(=O)c1ccccc1N(C)c1[nH+]cnc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1N c1cc2OCOc2cc1[*:1] COC(=O)c1ccccc1N(C)c1[nH+]cnc(c1N)N1CC[NH+](CC1)C[*:1]
COC(=O)c1ccccc1N(C)c1[nH+]cnc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1N COC(=O)c1ccccc1[*:1] CN(c1[nH+]cnc(c1N)N1CC[NH+](CC1)Cc1ccc2OCOc2c1)[*:1]
O=C(NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1)c1ccccc1F O=C(N[*:1])c1ccccc1F O=C(c1cn(nn1)-c1cccc(F)c1)N1CCC(CC1)[*:1]
O=C(NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1)c1ccccc1F Fc1ccccc1[*:1] O=C(c1cn(nn1)-c1cccc(F)c1)N1CCC(CC1)NC(=O)[*:1]
O=C(NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1)c1ccccc1F Fc1cccc(c1)[*:1] O=C(NC1CCN(CC1)C(=O)c1cn(nn1)[*:1])c1ccccc1F
Cc1cccc([C@@H](C[NH2+][C@H](C)c2cccnc2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H](C[NH2+][C@H](C)c1cccnc1)[*:1]
Cc1cccc([C@@H](C[NH2+][C@H](C)c2cccnc2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] C[C@@H]([NH2+]C[C@@H](N1CCOCC1)[*:1])c1cccnc1
Cc1cccc([C@@H](C[NH2+][C@H](C)c2cccnc2)N2CCOCC2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)[C@@H](C[NH2+][C@H](C)[*:1])N1CCOCC1
O=C([O-])CN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 O=C([O-])[*:1] O=C1CCC2(CC[NH+](CC2)Cc2ccc(Cl)c(F)c2)CN1C[*:1]
O=C([O-])CN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 O=C([O-])C[*:1] O=C1CCC2(CC[NH+](CC2)Cc2ccc(Cl)c(F)c2)CN1[*:1]
O=C([O-])CN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 Fc1cc(ccc1Cl)[*:1] O=C([O-])CN1CC2(CCC1=O)CC[NH+](CC2)C[*:1]
CN(C(=O)Nc1cccc(-c2nnc3n2CCC3)c1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)Nc1cccc(c1)-c1nnc2CCCn21)[*:1]
CN(C(=O)Nc1cccc(-c2nnc3n2CCC3)c1)C1CCCCC1 C1Cc2nnc(n2C1)[*:1] CN(C(=O)Nc1cccc(c1)[*:1])C1CCCCC1
C[C@@H](CCCO)[NH2+]Cc1cccs1 OCCC[*:1] C[C@@H]([NH2+]Cc1cccs1)[*:1]
C[C@@H](CCCO)[NH2+]Cc1cccs1 OCC[*:1] C[C@@H](C[*:1])[NH2+]Cc1cccs1
C[C@H]1CN(C(=O)C2CCN(c3ncccc3F)CC2)C[C@H](C)O1 Fc1cccnc1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)C1CCN(CC1)[*:1]
CN(Cc1ccsc1)C(=O)Cn1cnc([N+](=O)[O-])n1 c1cc(cs1)C[*:1] CN(C(=O)Cn1cnc(n1)[N+](=O)[O-])[*:1]
CN(Cc1ccsc1)C(=O)Cn1cnc([N+](=O)[O-])n1 O=[N+]([O-])[*:1] CN(Cc1ccsc1)C(=O)Cn1cnc(n1)[*:1]
CN(Cc1ccsc1)C(=O)Cn1cnc([N+](=O)[O-])n1 c1cc(cs1)[*:1] CN(C[*:1])C(=O)Cn1cnc(n1)[N+](=O)[O-]
CN(C)C(=O)N1CCCn2nc(CNC(=O)c3cccc(C#N)c3)cc2C1 N#Cc1cccc(c1)[*:1] CN(C)C(=O)N1CCCn2nc(cc2C1)CNC(=O)[*:1]
CC[NH2+][C@H]1[C@H](Sc2nnnn2C2CC2)CCC1(C)C C1CC1[*:1] CC[NH2+][C@H]1[C@@H](CCC1(C)C)Sc1nnnn1[*:1]
O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)C3CCCC3)co2)cc1 C1CCC(C1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)CS(=O)(=O)[*:1]
O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)C3CCCC3)co2)cc1 O=[N+]([O-])[*:1] O=S(=O)(Cc1coc(n1)-c1ccc(cc1)[*:1])C1CCCC1
COC(=O)N1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1 C1CCC(C1)[*:1] COC(=O)N1CCC(CC1)[NH2+][C@@H](c1ccc(F)cc1)[*:1]
COC(=O)N1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1 Fc1ccc(cc1)[*:1] COC(=O)N1CCC(CC1)[NH2+][C@@H](C1CCCC1)[*:1]
CC[C@@H](CSc1ccccc1)[NH2+][C@H]1CCCc2c1cnn2C c1ccc(cc1)S[*:1] CC[C@@H](C[*:1])[NH2+][C@H]1CCCc2c1cnn2C
CC[C@@H](CSc1ccccc1)[NH2+][C@H]1CCCc2c1cnn2C c1ccc(cc1)[*:1] CC[C@@H](CS[*:1])[NH2+][C@H]1CCCc2c1cnn2C
CCCn1nnc(NCc2ccc(F)cc2)n1 CCC[*:1] Fc1ccc(cc1)CNc1nnn(n1)[*:1]
C[C@H](OC[C@@H](O)CN1CCn2c(nn(C)c2=O)C1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](OC[C@@H](O)CN1CCn2c(C1)nn(C)c2=O)[*:1]
COc1cc(OC)c(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1F C1CC1[*:1] COc1cc(OC)c(cc1F)NC(=O)N([C@@H](C)c1ccco1)[*:1]
COc1cc(OC)c(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1F c1coc(c1)[*:1] COc1cc(OC)c(cc1F)NC(=O)N(C1CC1)[C@@H](C)[*:1]
C[C@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cccc(N3CCNC3=O)c2)[C@@H]1C c1cc2OCOc2cc1C[*:1] C[C@H]1CCC[C@H]([C@@H]1C)N(C(=O)Nc1cccc(c1)N1CCNC1=O)[*:1]
C[C@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cccc(N3CCNC3=O)c2)[C@@H]1C c1cc2OCOc2cc1[*:1] C[C@H]1CCC[C@H]([C@@H]1C)N(C[*:1])C(=O)Nc1cccc(c1)N1CCNC1=O
C[C@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cccc(N3CCNC3=O)c2)[C@@H]1C O=C1NCCN1[*:1] C[C@H]1CCC[C@H]([C@@H]1C)N(Cc1ccc2OCOc2c1)C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 COc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1Nc2nonc2NC2C[C@@H](CC(=O)C=21)[*:1]
COC(=O)c1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 COC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2[*:1]
COC(=O)c1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)N2CCN(CCC(C)(C)O)CC2)cc1 CC(C)(O)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC[*:1]
COc1ccc(S(=O)(=O)N2CCN(CCC(C)(C)O)CC2)cc1 CC(C)(O)CC[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
COc1ccc(S(=O)(=O)N2CCN(CCC(C)(C)O)CC2)cc1 CC(C)(O)C[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1]
C[C@H]([NH2+][C@H](C)Cc1cccs1)C(=O)NC(C)(C)C c1csc(c1)[*:1] C[C@H]([NH2+][C@H](C)C[*:1])C(=O)NC(C)(C)C
C[C@H]([NH2+][C@H](C)Cc1cccs1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H]([NH2+][C@H](C)Cc1cccs1)C(=O)N[*:1]
C[C@H]([NH2+][C@H](C)Cc1cccs1)C(=O)NC(C)(C)C c1csc(c1)C[*:1] C[C@H]([NH2+][C@H](C)[*:1])C(=O)NC(C)(C)C
CCn1c(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc2ccccc21 FC(F)(F)c1ccn(n1)[*:1] CCn1c(cc2ccccc21)C(=O)N1CCC(CC1)[*:1]
CCn1c(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cc2ccccc21 FC(F)(F)[*:1] CCn1c(cc2ccccc21)C(=O)N1CCC(CC1)n1ccc(n1)[*:1]
CC[C@H](C)CN(C)c1ccc(N)c[nH+]1 CC[C@H](C)[*:1] CN(C[*:1])c1ccc(N)c[nH+]1
Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2nc(-c3ccccn3)cs2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1nc(cs1)-c1ccccn1
Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2nc(-c3ccccn3)cs2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)C(=O)N[C@H](C)C(=O)Nc1nc(cs1)[*:1]
CCn1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cn1 Fc1ccc(cc1)[*:1] CCn1cc(cn1)NC(=O)[C@H]1CC(=O)N(C)[C@H]1[*:1]
CCn1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cn1 CCn1cc(cn1)[*:1] CN1C(=O)C[C@H](C(=O)N[*:1])[C@H]1c1ccc(F)cc1
Cc1noc(-c2ccccc2C(=O)N[C@@H](C)c2c(F)cccc2Cl)n1 Fc1cccc(Cl)c1[*:1] Cc1noc(n1)-c1ccccc1C(=O)N[C@@H](C)[*:1]
Cc1noc(-c2ccccc2C(=O)N[C@@H](C)c2c(F)cccc2Cl)n1 Cc1noc(n1)[*:1] C[C@H](NC(=O)c1ccccc1[*:1])c1c(F)cccc1Cl
O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCc1ccccc1F Fc1ccccc1C[*:1] O=C(Cn1nnc(n1)-c1ccc(Br)cc1)N[*:1]
O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCc1ccccc1F Brc1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])NCc1ccccc1F
O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NCc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1nnc(n1)-c1ccc(Br)cc1)NC[*:1]
CCCc1nn(C)c2c1nc(N)n2-c1ccc(F)c(Cl)c1 CCC[*:1] Cn1nc(c2nc(N)n(-c3ccc(F)c(Cl)c3)c21)[*:1]
NC(=O)NCC12CC3CC(CC(C3)C1)C2 NC(=O)NC[*:1] C1C2CC3CC1CC(C2)(C3)[*:1]
NC(=O)NCC12CC3CC(CC(C3)C1)C2 NC(=O)N[*:1] C1C2CC3CC1CC(C2)(C3)C[*:1]
O=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1ccccc1 c1cnn(c1)[*:1] O=S(=O)(NCCNc1ccc(nn1)[*:1])c1ccccc1
O=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCCNc1ccc(nn1)-n1cccn1)[*:1]
Cc1ccc(Cl)cc1NC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(Cl)cc1NC(=O)NCC(C)(C)[*:1]
Cc1nccn1-c1cc(NCCNC(=O)Nc2ccc3ccccc3c2)ncn1 Cc1nccn1[*:1] O=C(NCCNc1cc(ncn1)[*:1])Nc1ccc2ccccc2c1
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] Clc1ccc(c(Cl)c1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H]1CCCC[C@@H]1[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)OC[C@@H]1CCCCO1)C2 C1CC[C@H](OC1)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)OC[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)OC[C@@H]1CCCCO1)C2 C1CC[C@@H](C[*:1])OC1 Cc1cc2C[C@@H](Oc2cc1C)C(=O)O[*:1]
CCCC[C@H](CC)[C@H]1OC[C@@H](CN2CCOCC2)O1 C1CN(CCO1)[*:1] CCCC[C@H](CC)[C@H]1OC[C@@H](C[*:1])O1
CCCC[C@H](CC)[C@H]1OC[C@@H](CN2CCOCC2)O1 CCC[*:1] CC[C@@H](C[*:1])[C@H]1OC[C@@H](CN2CCOCC2)O1
CCCC[C@H](CC)[C@H]1OC[C@@H](CN2CCOCC2)O1 CCCC[*:1] CC[C@H]([C@H]1OC[C@@H](CN2CCOCC2)O1)[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc([N+](=O)[O-])c1 Cc1nn(C)c(C)c1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(c2)[N+](=O)[O-])N1CC[NH+]1CCCC1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc(c1)[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc([N+](=O)[O-])c1 Cc1nn(C)c(C)c1C(=O)[*:1] O=C1C([O-])=C([C@H](c2cccc(c2)[N+](=O)[O-])N1CC[NH+]1CCCC1)[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1[*:1]
Cn1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(C(=O)Nc2nc(cs2)-c2cccc(C#N)c2)c(n1)[*:1]
Cn1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c(-c2cccs2)n1 N#Cc1cccc(c1)[*:1] Cn1cc(C(=O)Nc2nc(cs2)[*:1])c(n1)-c1cccs1
C[C@H]1C[C@H](C)CCN1C(=O)c1ccc(CS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] C[C@H]1C[C@H](C)CCN1C(=O)c1ccc(cc1)[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)c1ccc(CS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)c1ccc(cc1)C[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 CC(C)(C)NC(=O)C[*:1] O=C(Cn1c(nc2ccccc21)S[*:1])N1CCCCC1
CC(C)(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CC(C)(C)NC(=O)CSc1nc2ccccc2n1C[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 O=C(C[*:1])N1CCCCC1 CC(C)(C)NC(=O)CSc1nc2ccccc2n1[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 CC(C)(C)[*:1] O=C(CSc1nc2ccccc2n1CC(=O)N1CCCCC1)N[*:1]
CC(C)(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 CC(C)(C)NC(=O)CS[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCCCC1
CC(C)(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 CC(C)(C)NC(=O)[*:1] O=C(Cn1c(nc2ccccc21)SC[*:1])N1CCCCC1
CC[C@@H](CCO)C[NH2+][C@H](C)c1cnc2ccsc2c1 OCC[*:1] CC[C@@H](C[NH2+][C@H](C)c1cnc2ccsc2c1)[*:1]
CC[C@@H](CCO)C[NH2+][C@H](C)c1cnc2ccsc2c1 CC[C@@H](CCO)[*:1] C[C@@H]([NH2+]C[*:1])c1cnc2ccsc2c1
O=C(Nc1cc(F)c(F)cc1F)[C@@H]1CCCS1 C1CS[C@@H](C1)[*:1] O=C(Nc1cc(F)c(F)cc1F)[*:1]
CC[C@@H](NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1)c1ccncc1 C1CCC(C1)C[*:1] CC[C@@H](NC(=O)N1CCN(CC1)C(=O)C[*:1])c1ccncc1
CC[C@@H](NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1)c1ccncc1 C1CCC(C1)[*:1] CC[C@@H](NC(=O)N1CCN(CC1)C(=O)CC[*:1])c1ccncc1
CC[C@@H](NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1)c1ccncc1 C1CCC(C1)CC[*:1] CC[C@@H](NC(=O)N1CCN(CC1)C(=O)[*:1])c1ccncc1
CC[C@@H](NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N1CCN(CC1)C(=O)CCC1CCCC1)[*:1]
C[C@@H](C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)NCc1ccc(nc1)Oc1ccc(F)cc1)[*:1]
C[C@@H](C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccsc1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NCc1ccc(nc1)O[*:1])c1ccsc1
C[C@@H](C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccsc1 Fc1ccc(cc1)O[*:1] C[C@@H](C(=O)NCc1ccc(nc1)[*:1])c1ccsc1
O=C(Nc1ccnn1Cc1ccsc1)c1nccn2ccnc12 c1cc(cs1)C[*:1] O=C(Nc1ccnn1[*:1])c1nccn2ccnc12
O=C(Nc1ccnn1Cc1ccsc1)c1nccn2ccnc12 c1cc(cs1)[*:1] O=C(Nc1ccnn1C[*:1])c1nccn2ccnc12
CC1(C)CO[C@H](c2ccccc2)CN1C(=O)Cn1ccccc1=O O=c1ccccn1[*:1] CC1(C)CO[C@@H](CN1C(=O)C[*:1])c1ccccc1
CC1(C)CO[C@H](c2ccccc2)CN1C(=O)Cn1ccccc1=O O=c1ccccn1C[*:1] CC1(C)CO[C@@H](CN1C(=O)[*:1])c1ccccc1
CC1(C)CO[C@H](c2ccccc2)CN1C(=O)Cn1ccccc1=O c1ccc(cc1)[*:1] CC1(C)CO[C@H](CN1C(=O)Cn1ccccc1=O)[*:1]
CCC(CC)NC(=O)[C@H](C)[NH2+][C@H]1CCCC1(C)C CCC(CC)[*:1] C[C@H]([NH2+][C@H]1CCCC1(C)C)C(=O)N[*:1]
Cc1cc(C)n(NC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c(=O)c1C#N CC(C)O[*:1] Cc1cc(C)n(NC(=S)NC(=O)c2cc(Br)ccc2[*:1])c(=O)c1C#N
Cc1cc(C)n(NC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c(=O)c1C#N CC(C)[*:1] Cc1cc(C)n(NC(=S)NC(=O)c2cc(Br)ccc2O[*:1])c(=O)c1C#N
C[C@H](NC(=O)Nc1nnc(-c2ccccc2)s1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1nnc(s1)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)Nc1nnc(-c2ccccc2)s1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)Nc1nnc(s1)-c1ccccc1)[*:1]
CN(Cc1csc(-c2ccccc2)n1)C(=O)c1nn(C)c2c1CCCC2 c1ccc(cc1)[*:1] CN(Cc1csc(n1)[*:1])C(=O)c1nn(C)c2CCCCc12
Cc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1C(=O)N(C)C Clc1cc(c(Cl)s1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)[*:1]
Cc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cc(Cl)sc1Cl
C[C@@H]1CC[C@]2(C[NH+]=C(N)N2C[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] C[C@@H]1CC[C@]2(C[NH+]=C(N)N2C[*:1])C1
O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](n2cccn2)C1 c1cnn(c1)[*:1] O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](C1)[*:1]
Cn1cc(C[C@@H]2CCN(c3ncc(S(N)(=O)=O)s3)C2)cn1 Cn1cc(cn1)[*:1] NS(=O)(=O)c1cnc(s1)N1CC[C@H](C1)C[*:1]
Cn1cc(C[C@@H]2CCN(c3ncc(S(N)(=O)=O)s3)C2)cn1 NS(=O)(=O)[*:1] Cn1cc(cn1)C[C@@H]1CCN(C1)c1ncc(s1)[*:1]
Cn1cc(C[C@@H]2CCN(c3ncc(S(N)(=O)=O)s3)C2)cn1 Cn1cc(cn1)C[*:1] NS(=O)(=O)c1cnc(s1)N1CC[C@H](C1)[*:1]
C[NH+](CC(=O)Nc1ccc2c(c1)OCO2)CC(=O)Nc1ccc(F)c(F)c1F c1cc2OCOc2cc1[*:1] C[NH+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N[*:1]
C[NH+](CC(=O)Nc1ccc2c(c1)OCO2)CC(=O)Nc1ccc(F)c(F)c1F Fc1ccc(c(F)c1F)[*:1] C[NH+](CC(=O)Nc1ccc2OCOc2c1)CC(=O)N[*:1]
COc1ccc(CCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)cc1 COc1ccc(cc1)C[*:1] NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C1)C(=O)C[*:1]
COc1ccc(CCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)cc1 COc1ccc(cc1)[*:1] NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C1)C(=O)CC[*:1]
COc1ccc(CCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)cc1 NC(=O)[*:1] COc1ccc(cc1)CCC(=O)N1CCC[C@H](C1)c1nc2ccccc2cc1[*:1]
COc1ccc(CCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)cc1 COc1ccc(cc1)CC[*:1] NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N2CCN(C)c3nc4ccccc4nc32)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)N1CCN(C)c2nc3ccccc3nc21)[*:1]
CC(C)(C)[C@H](NCc1ccc(F)cc1Br)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NCc1ccc(F)cc1Br)[*:1]
CC(C)(C)[C@H](NCc1ccc(F)cc1Br)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NCc1ccc(F)cc1Br)[*:1]
CC(C)C[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 CC(C)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])N1CCC[C@@H]1c1ccc2OCCOc2c1
CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OCC)c(OC)c1 CCO[*:1] CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(c(c1)OC)[*:1]
CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OCC)c(OC)c1 CCOC(=O)[*:1] CCOc1ccc(cc1OC)[C@H]1C(=C(C)N=C2SCCC(=O)N21)[*:1]
Cc1noc(N)c1C(=O)OCC(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 Cc1noc(N)c1C(=O)OCC(=O)N(C)[*:1]
Cc1noc(N)c1C(=O)OCC(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1noc(N)c1C(=O)OCC(=O)N(C)C[*:1]
Cc1noc(N)c1C(=O)OCC(=O)N(C)Cc1ccc(Cl)s1 Cc1noc(N)c1[*:1] CN(Cc1ccc(Cl)s1)C(=O)COC(=O)[*:1]
CC(=O)N1CCN(C(=O)c2ccc(=O)n(CCC(=O)[O-])n2)CC1 O=C([O-])CC[*:1] CC(=O)N1CCN(CC1)C(=O)c1ccc(=O)n(n1)[*:1]
CC(=O)N1CCN(C(=O)c2ccc(=O)n(CCC(=O)[O-])n2)CC1 O=C([O-])[*:1] CC(=O)N1CCN(CC1)C(=O)c1ccc(=O)n(CC[*:1])n1
CC(=O)N1CCN(C(=O)c2ccc(=O)n(CCC(=O)[O-])n2)CC1 O=C([O-])C[*:1] CC(=O)N1CCN(CC1)C(=O)c1ccc(=O)n(C[*:1])n1
CCCC(=O)Nc1ccccc1N1CCCC1=O CCCC(=O)N[*:1] O=C1CCCN1c1ccccc1[*:1]
CCCC(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] CCCC(=O)Nc1ccccc1[*:1]
CCCC(=O)Nc1ccccc1N1CCCC1=O CCC[*:1] O=C1CCCN1c1ccccc1NC(=O)[*:1]
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1 C1CN(CCO1)[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])c1ccccc1
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(cc1)N1CCOCC1)[*:1]
Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)N(CC2CC2)[*:1])c(=O)[nH]1
Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)c(=O)[nH]1 C1CC1C[*:1] Cc1ccc(C(=O)N(c2ccccc2)[*:1])c(=O)[nH]1
Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)c(=O)[nH]1 C1CC1[*:1] Cc1ccc(C(=O)N(C[*:1])c2ccccc2)c(=O)[nH]1
CN(C(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)COc1ccc(cc1)-c1ccccc1)[*:1]
CN(C(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)COc1ccc(cc1)[*:1])c1ccccc1
CC(C)C[C@H](NC(N)=O)C(=O)N(C)Cc1ccc(Cl)s1 NC(=O)N[*:1] CC(C)C[C@H](C(=O)N(C)Cc1ccc(Cl)s1)[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)N(C)Cc1ccc(Cl)s1 CC(C)[*:1] CN(Cc1ccc(Cl)s1)C(=O)[C@H](C[*:1])NC(N)=O
CC(C)C[C@H](NC(N)=O)C(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC(C)C[C@H](NC(N)=O)C(=O)N(C)C[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)N(C)Cc1ccc(Cl)s1 CC(C)C[*:1] CN(Cc1ccc(Cl)s1)C(=O)[C@@H](NC(N)=O)[*:1]
Cc1cc(Cl)ccc1NC(=O)c1cnns1 c1nnsc1[*:1] Cc1cc(Cl)ccc1NC(=O)[*:1]
COC(=O)c1ccc(C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)cc1 COC(=O)[*:1] CO[C@]1(C)C[C@H](NC(=O)c2ccc(cc2)[*:1])C1(C)C
CC(=O)N[C@@H](C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] CC(=O)N[C@@H](C)C(=O)Nc1ncc(C[*:1])s1
CC(=O)N[C@@H](C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 CC(=O)N[C@@H](C)[*:1] O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[*:1]
CC(=O)N[C@@H](C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 CC(=O)N[*:1] C[C@@H](C(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[*:1]
COc1nc(C)c(C(=O)N2CCC[C@@H](COc3ccc(C)cc3)C2)s1 Cc1ccc(cc1)[*:1] COc1nc(C)c(s1)C(=O)N1CCC[C@@H](CO[*:1])C1
COc1nc(C)c(C(=O)N2CCC[C@@H](COc3ccc(C)cc3)C2)s1 Cc1ccc(cc1)O[*:1] COc1nc(C)c(s1)C(=O)N1CCC[C@H](C1)C[*:1]
COc1nc(C)c(C(=O)N2CCC[C@@H](COc3ccc(C)cc3)C2)s1 COc1nc(C)c(s1)[*:1] Cc1ccc(cc1)OC[C@@H]1CCCN(C1)C(=O)[*:1]
Cn1c(C2CC2)nc2cc(NC(=O)CNC(=O)c3ccsc3)ccc21 O=C(N[*:1])c1ccsc1 Cn1c(nc2cc(ccc21)NC(=O)C[*:1])C1CC1
Cn1c(C2CC2)nc2cc(NC(=O)CNC(=O)c3ccsc3)ccc21 c1cc(cs1)[*:1] Cn1c(nc2cc(ccc21)NC(=O)CNC(=O)[*:1])C1CC1
Cn1c(C2CC2)nc2cc(NC(=O)CNC(=O)c3ccsc3)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)CNC(=O)c1ccsc1)[*:1]
CC(C)NC(=O)C[C@@H]1C(N)=NC(=O)N1C(C)C CC(C)[*:1] CC(C)NC(=O)C[C@@H]1C(N)=NC(=O)N1[*:1]
CC(C)NC(=O)C[C@@H]1C(N)=NC(=O)N1C(C)C CC(C)[*:1] CC(C)N1C(=O)N=C(N)[C@H]1CC(=O)N[*:1]
C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)c(F)c1 O=[N+]([O-])[*:1] C[C@H](NC(=O)c1cc(ccc1Cl)[*:1])c1ccc(F)c(F)c1
C[C@@H](NS(=O)(=O)/C=C\c1ccccc1)c1nnc2n1CCCCC2 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)C=C[*:1])c1nnc2CCCCCn21
C[C@@H](NS(=O)(=O)/C=C\c1ccccc1)c1nnc2n1CCCCC2 C(=C[*:1])c1ccccc1 C[C@@H](NS(=O)(=O)[*:1])c1nnc2CCCCCn21
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(C)CC(=O)N1CCCC1 O=C([O-])[*:1] C[C@H]1[C@@H](CCN1C(=O)N(C)CC(=O)N1CCCC1)[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(C)CC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H]1[C@H](CCN1C(=O)N(C)C[*:1])C(=O)[O-]
Cc1ccncc1NC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 Cc1ccncc1[*:1] C[C@H](NC(=O)N[*:1])c1ccc2NC(=O)CCc2c1
CCOc1cc2c(cc1CNC(=O)c1ccccc1C)O[C@@H](C)C2 CCO[*:1] Cc1ccccc1C(=O)NCc1cc2O[C@@H](C)Cc2cc1[*:1]
CCOc1cc2c(cc1CNC(=O)c1ccccc1C)O[C@@H](C)C2 Cc1ccccc1[*:1] CCOc1cc2C[C@H](C)Oc2cc1CNC(=O)[*:1]
CC(C)n1c(CC(=O)Nc2ccccc2F)n[nH]c1=S CC(C)[*:1] O=C(Cc1n[nH]c(=S)n1[*:1])Nc1ccccc1F
O=S(=O)(CC1CCC1)N1CCOC2(CCCCCC2)C1 C1CC(C1)[*:1] O=S(=O)(C[*:1])N1CCOC2(CCCCCC2)C1
O=S(=O)(CC1CCC1)N1CCOC2(CCCCCC2)C1 C1CC(C1)C[*:1] O=S(=O)(N1CCOC2(CCCCCC2)C1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(c3ccccc3F)CC2)c1 CC(=O)[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])N1CCN(CC1)c1ccccc1F
CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(c3ccccc3F)CC2)c1 Fc1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H](C)N1CCN(CC1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(c3ccccc3F)CC2)c1 CC(=O)c1cccc(c1)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)c1ccccc1F
CNC(=O)CC[NH+]1CCc2ccccc2C1 CNC(=O)[*:1] c1ccc2C[NH+](CCc2c1)CC[*:1]
CNC(=O)CC[NH+]1CCc2ccccc2C1 CNC(=O)C[*:1] c1ccc2C[NH+](CCc2c1)C[*:1]
C[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)[*:1]
Cn1cc(C(=O)C[C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2F)cn1 Cn1cc(cn1)[*:1] N#Cc1ccc(c(F)c1)S(=O)(=O)N1CCC[C@H]1CC(=O)[*:1]
Cn1cc(C(=O)C[C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2F)cn1 Cn1cc(cn1)C(=O)[*:1] N#Cc1ccc(c(F)c1)S(=O)(=O)N1CCC[C@H]1C[*:1]
CC(C)[C@H]1CCCN1C(=O)CCc1nc2ccccc2c(=O)[nH]1 CC(C)[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1[*:1]
CN(CCOc1ccccc1F)C(=O)CCC1CCCCC1 C1CCC(CC1)[*:1] CN(CCOc1ccccc1F)C(=O)CC[*:1]
CN(CCOc1ccccc1F)C(=O)CCC1CCCCC1 C1CCC(CC1)C[*:1] CN(CCOc1ccccc1F)C(=O)C[*:1]
CN(CCOc1ccccc1F)C(=O)CCC1CCCCC1 Fc1ccccc1[*:1] CN(CCO[*:1])C(=O)CCC1CCCCC1
CC(=O)c1ccc(N2CC(=O)NC(=O)C2)cc1O CC(=O)[*:1] O=C1CN(CC(=O)N1)c1ccc(c(O)c1)[*:1]
COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc(N)nc3N2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C[C@H](n2nc(N)nc2N1)[*:1]
COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc(N)nc3N2)cc1 COc1ccc(cc1)[*:1] Nc1nc2N[C@H](C[C@H](c3ccc(F)cc3)n2n1)[*:1]
Cc1ccc(N2CCCN(Cc3cnc(-c4cccnc4)s3)CC2)nn1 c1cncc(c1)[*:1] Cc1ccc(nn1)N1CCCN(CC1)Cc1cnc(s1)[*:1]
Cc1ccc(N2CCCN(Cc3cnc(-c4cccnc4)s3)CC2)nn1 Cc1ccc(nn1)[*:1] c1cncc(c1)-c1ncc(CN2CCCN(CC2)[*:1])s1
Cc1ccc(C)c(S(=O)(=O)CC[NH+](C)Cc2ccccc2N2CCCC2)c1 C1CCN(C1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)CC[NH+](C)Cc1ccccc1[*:1]
Cc1ccc(C)c(S(=O)(=O)CC[NH+](C)Cc2ccccc2N2CCCC2)c1 Cc1ccc(C)c(c1)[*:1] C[NH+](CCS(=O)(=O)[*:1])Cc1ccccc1N1CCCC1
Cc1ccc(NC(=O)NC[C@@H](O)CO)cc1Cl OC[C@H](O)[*:1] Cc1ccc(cc1Cl)NC(=O)NC[*:1]
Cc1ccc(NC(=O)NC[C@@H](O)CO)cc1Cl OC[C@H](O)C[*:1] Cc1ccc(cc1Cl)NC(=O)N[*:1]
Cc1c(C(=O)N2CCCC2)sc2nc3n(c(=O)c12)CCCC3 O=C(N1CCCC1)[*:1] Cc1c(sc2nc3CCCCn3c(=O)c12)[*:1]
CC1(C)CCSC[C@]1([NH2+]C1CC1)c1nc2c(s1)CCC2 C1CC1[*:1] CC1(C)CCSC[C@]1([NH2+][*:1])c1nc2CCCc2s1
Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1S(=O)(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])NC(=O)c1ccc(F)cc1F
Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1S(=O)(=O)Nc1ccc(Cl)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)NC(=O)[*:1]
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(C)(C)O)n2n1 c1ccc(cc1)[*:1] Cc1cc(C)c2c(nc(SCC(C)(C)O)n2n1)[*:1]
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(C)(C)O)n2n1 CC(C)(O)[*:1] Cc1cc(C)c2c(nc(SC[*:1])n2n1)-c1ccccc1
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(C)(C)O)n2n1 CC(C)(O)CS[*:1] Cc1cc(C)c2c(nc(n2n1)[*:1])-c1ccccc1
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(C)(C)O)n2n1 CC(C)(O)C[*:1] Cc1cc(C)c2c(nc(S[*:1])n2n1)-c1ccccc1
CN(C)c1cccc(C(C)(C)C(=O)[O-])c1 CN(C)[*:1] CC(C)(C(=O)[O-])c1cccc(c1)[*:1]
CN(C)c1cccc(C(C)(C)C(=O)[O-])c1 O=C([O-])[*:1] CN(C)c1cccc(c1)C(C)(C)[*:1]
CC[C@H](Cl)Cc1ccc2nccnc2n1 CC[C@H](Cl)[*:1] c1cnc2nc(ccc2n1)C[*:1]
CC[C@H](Cl)Cc1ccc2nccnc2n1 CC[C@H](Cl)C[*:1] c1cnc2nc(ccc2n1)[*:1]
Cn1c(CNc2ccc(C(N)=O)c(F)c2)nnc1-c1ccccc1 NC(=O)[*:1] Cn1c(CNc2ccc(c(F)c2)[*:1])nnc1-c1ccccc1
Cn1c(CNc2ccc(C(N)=O)c(F)c2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(CNc2ccc(C(N)=O)c(F)c2)nnc1[*:1]
CCC(=O)N(NC(=O)c1ccc(C)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1=O Fc1ccccc1[*:1] CCC(=O)N(NC(=O)c1ccc(C)cc1)[C@H]1CC(=O)N(C1=O)[*:1]
CCC(=O)N(NC(=O)c1ccc(C)cc1)[C@H]1CC(=O)N(c2ccccc2F)C1=O Cc1ccc(cc1)[*:1] CCC(=O)N(NC(=O)[*:1])[C@H]1CC(=O)N(C1=O)c1ccccc1F
CCCS(=O)(=O)[C@H](C)C(=O)N1CCCN(c2nc(CC)ns2)CC1 CCC[*:1] CCc1nsc(n1)N1CCCN(CC1)C(=O)[C@@H](C)S(=O)(=O)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N1CCCN(c2nc(CC)ns2)CC1 CCCS(=O)(=O)[*:1] CCc1nsc(n1)N1CCCN(CC1)C(=O)[C@@H](C)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N1CCCN(c2nc(CC)ns2)CC1 CCc1nsc(n1)[*:1] CCCS(=O)(=O)[C@H](C)C(=O)N1CCCN(CC1)[*:1]
COc1ccc(CN(C(=O)[C@H](C)Oc2cc(C)cc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1)CN(C(=O)[C@H](C)O[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(CN(C(=O)[C@H](C)Oc2cc(C)cc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)O[C@@H](C)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(CN(C(=O)[C@H](C)Oc2cc(C)cc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 Cc1cc(C)cc(c1)O[*:1] COc1ccc(cc1)CN(C(=O)[C@H](C)[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(CN(C(=O)[C@H](C)Oc2cc(C)cc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)O[C@@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(NCC[NH+]1CCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 Clc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCCC1)c1cccc(c1)[C@@H]1CCCN(C1)C(=O)N[*:1]
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc2cccnc12 C=CC[*:1] COc1ccc(cc1)CN(C(=O)Nc1cccc2cccnc12)[*:1]
C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc2cccnc12 COc1ccc(cc1)[*:1] C=CCN(C[*:1])C(=O)Nc1cccc2cccnc12
CCCC(=O)N1CCC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)NNc1ccccc1[*:1]
CCCC(=O)N1CCC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])C1 CCC[*:1] O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccccc1[C@@H](NC(=O)c1cc(C#N)cn1C)C1CC1 Cc1ccccc1[*:1] Cn1cc(C#N)cc1C(=O)N[C@@H](C1CC1)[*:1]
Cc1ccccc1[C@@H](NC(=O)c1cc(C#N)cn1C)C1CC1 C1CC1[*:1] Cc1ccccc1[C@@H](NC(=O)c1cc(C#N)cn1C)[*:1]
CSc1ccc(C(=O)NCc2ccc(C#CCO)s2)cc1 OCC#C[*:1] CSc1ccc(cc1)C(=O)NCc1ccc(s1)[*:1]
CCOc1c(Cl)cc(CNC(=O)N(C)C[C@H](C)O)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])CNC(=O)N(C)C[C@H](C)O
CCOc1c(Cl)cc(CNC(=O)N(C)C[C@H](C)O)cc1OC C[C@H](O)[*:1] CCOc1c(Cl)cc(cc1OC)CNC(=O)N(C)C[*:1]
NC(=O)c1nccnc1N1CCCCC1 NC(=O)[*:1] c1cnc(c(n1)N1CCCCC1)[*:1]
Cc1ccnn1CC(=O)N[C@H](C)c1cnn(-c2cccc3ccccc23)c1C Cc1ccnn1C[*:1] Cc1c(cnn1-c1cccc2ccccc12)[C@@H](C)NC(=O)[*:1]
Cc1ccnn1CC(=O)N[C@H](C)c1cnn(-c2cccc3ccccc23)c1C Cc1ccnn1[*:1] Cc1c(cnn1-c1cccc2ccccc12)[C@@H](C)NC(=O)C[*:1]
CNC(=O)CN(C)C(=O)c1ccc(C#N)c(C)n1 CNC(=O)[*:1] Cc1nc(ccc1C#N)C(=O)N(C)C[*:1]
CNC(=O)CN(C)C(=O)c1ccc(C#N)c(C)n1 CNC(=O)C[*:1] Cc1nc(ccc1C#N)C(=O)N(C)[*:1]
CCC[C@@H](C[NH3+])[C@@]1(O)CCCCC1(C)C CCC[*:1] CC1(C)CCCC[C@]1(O)[C@H](C[NH3+])[*:1]
CCC[C@H](O)[C@H]1CCOC2(CCCC2)C1 CCC[C@H](O)[*:1] C1CCC2(C1)C[C@H](CCO2)[*:1]
CCC[C@H](O)[C@H]1CCOC2(CCCC2)C1 CCC[*:1] O[C@H]([C@H]1CCOC2(CCCC2)C1)[*:1]
Cc1ccc2ncc(C(=O)Nc3ccnn3C3CCCC3)c(=O)n2c1 C1CCC(C1)[*:1] Cc1ccc2ncc(C(=O)Nc3ccnn3[*:1])c(=O)n2c1
Cc1ccccc1CNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O c1csc(c1)[*:1] Cc1ccccc1CNC(=O)Cn1ncn2nc(cc2c1=O)[*:1]
Cc1ccccc1CNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O Cc1ccccc1C[*:1] O=C(Cn1ncn2nc(cc2c1=O)-c1cccs1)N[*:1]
Cc1ccccc1CNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O Cc1ccccc1[*:1] O=C(Cn1ncn2nc(cc2c1=O)-c1cccs1)NC[*:1]
CC(C)CSCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 CC(C)[*:1] CC(C)CSCC(=O)N1CCC(CC1)C(=O)N(C)[*:1]
CC(C)CSCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 CC(C)CSC[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)CSCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 CC(C)C[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)CS[*:1]
CC(C)CSCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 CC(C)N(C)C(=O)[*:1] CC(C)CSCC(=O)N1CCC(CC1)[*:1]
CC(C)CSCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 CC(C)[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)CSC[*:1]
CC(C)CSCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 CC(C)CS[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)C[*:1]
CCOCCOCc1cccc(NC(=O)N2CCC(C)CC2)c1 CCOCC[*:1] CC1CCN(CC1)C(=O)Nc1cccc(c1)CO[*:1]
CCOCCOCc1cccc(NC(=O)N2CCC(C)CC2)c1 CCOCCOC[*:1] CC1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
CCOCCOCc1cccc(NC(=O)N2CCC(C)CC2)c1 CCO[*:1] CC1CCN(CC1)C(=O)Nc1cccc(c1)COCC[*:1]
CCOCCOCc1cccc(NC(=O)N2CCC(C)CC2)c1 CCOCCO[*:1] CC1CCN(CC1)C(=O)Nc1cccc(c1)C[*:1]
CCOCCOCc1cccc(NC(=O)N2CCC(C)CC2)c1 CCOC[*:1] CC1CCN(CC1)C(=O)Nc1cccc(c1)COC[*:1]
CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N1CCNC1=O O=C1NCCN1C(=O)[*:1] CCc1nc2ccccc2c(C)c1C(=O)OC[*:1]
CC[C@@H](NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)ccc1O COc1cc(ccc1O)[*:1] N#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@H]1[*:1]
COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)ccc1O Fc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@@H]1CC(=O)N2C(SC[C@@]2(O)[*:1])=C1C#N
COc1ccccc1[C@H]1C[C@H]1C(=O)N1C[C@H](C)Oc2ccc(C)cc21 COc1ccccc1[*:1] Cc1ccc2O[C@@H](C)CN(C(=O)[C@@H]3C[C@@H]3[*:1])c2c1
COCCOCC(=O)N[C@H]1CCOc2c(Cl)cccc21 COCC[*:1] O=C(CO[*:1])N[C@H]1CCOc2c(Cl)cccc21
COCCOCC(=O)N[C@H]1CCOc2c(Cl)cccc21 COC[*:1] O=C(COC[*:1])N[C@H]1CCOc2c(Cl)cccc21
COCCOCC(=O)N[C@H]1CCOc2c(Cl)cccc21 COCCO[*:1] O=C(C[*:1])N[C@H]1CCOc2c(Cl)cccc21
COCCOCC(=O)N[C@H]1CCOc2c(Cl)cccc21 COCCOC[*:1] O=C(N[C@H]1CCOc2c(Cl)cccc21)[*:1]
CC(C)(C)c1ccc(NC(=O)NCc2cc(=O)[nH]c3ccccc23)cc1 CC(C)(C)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)Nc1ccc(cc1)[*:1]
[O-]c1cc(C(F)(F)F)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 FC(F)(F)[*:1] [O-]c1cc(nc2c(-c3ccccc3)c(nn12)C(F)(F)F)[*:1]
[O-]c1cc(C(F)(F)F)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 FC(F)(F)[*:1] [O-]c1cc(nc2c(-c3ccccc3)c(nn12)[*:1])C(F)(F)F
[O-]c1cc(C(F)(F)F)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 c1ccc(cc1)[*:1] [O-]c1cc(nc2c(c(nn12)C(F)(F)F)[*:1])C(F)(F)F
O=C([O-])CCc1cc2ccccc2s1 O=C([O-])C[*:1] c1ccc2sc(cc2c1)C[*:1]
O=C([O-])CCc1cc2ccccc2s1 O=C([O-])[*:1] c1ccc2sc(cc2c1)CC[*:1]
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)[*:1]
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)C(=O)[O-] Clc1ccccc1[*:1] CC(C)C[C@@H](NC(=O)[C@H](C)O[*:1])C(=O)[O-]
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)C(=O)[O-] CC(C)[*:1] C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C[*:1])C(=O)[O-]
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)C(=O)[O-] CC(C)C[*:1] C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])[*:1]
Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)o1 Cc1ccc(o1)[*:1] O=C(NCCSc1ccc(Cl)cc1)[*:1]
N/C(=N\OC(=O)C1CCCCC1)c1ccncc1 C1CCC(CC1)[*:1] N/C(=N\OC(=O)[*:1])c1ccncc1
N/C(=N\OC(=O)C1CCCCC1)c1ccncc1 c1cc(ccn1)[*:1] N/C(=N\OC(=O)C1CCCCC1)[*:1]
C[NH+]1CCN(c2nc(Nc3cccc(O)c3)nc3ccccc23)CC1 Oc1cccc(c1)N[*:1] C[NH+]1CCN(CC1)c1nc(nc2ccccc12)[*:1]
C[NH+]1CCN(c2nc(Nc3cccc(O)c3)nc3ccccc23)CC1 Oc1cccc(c1)[*:1] C[NH+]1CCN(CC1)c1nc(nc2ccccc12)N[*:1]
CCCNC(=O)[C@@H](C)NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 CCCNC(=O)[*:1] C[C@@H](NC(=O)c1ccc(s1)-c1ccc2OCCOc2c1)[*:1]
CCCNC(=O)[C@@H](C)NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 CCCNC(=O)[C@@H](C)[*:1] O=C(N[*:1])c1ccc(s1)-c1ccc2OCCOc2c1
CCCNC(=O)[C@@H](C)NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 CCC[*:1] C[C@@H](NC(=O)c1ccc(s1)-c1ccc2OCCOc2c1)C(=O)N[*:1]
CCC[NH2+][C@H](c1ccc(F)cn1)[C@@H]1CCOC2(CCC2)C1 Fc1ccc(nc1)[*:1] CCC[NH2+][C@H]([C@@H]1CCOC2(CCC2)C1)[*:1]
CCC[NH2+][C@H](c1ccc(F)cn1)[C@@H]1CCOC2(CCC2)C1 CCC[*:1] Fc1ccc(nc1)[C@@H]([NH2+][*:1])[C@@H]1CCOC2(CCC2)C1
CCC[C@H]1C(=O)NC(=O)C[C@H]1c1ccc(Cl)c(F)c1 CCC[*:1] O=C1C[C@@H](c2ccc(Cl)c(F)c2)[C@H](C(=O)N1)[*:1]
COC(=O)c1ccc(-c2csc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)-c1csc(n1)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
COC(=O)c1ccc(-c2csc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1 COC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
COC(=O)c1ccc(-c2csc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(cs1)[*:1]
CCOC(=O)CNc1c(-c2ccc(C)cc2)nc2ccc(Br)cn12 CCOC(=O)C[*:1] Cc1ccc(cc1)-c1nc2ccc(Br)cn2c1N[*:1]
CCOC(=O)CNc1c(-c2ccc(C)cc2)nc2ccc(Br)cn12 CCOC(=O)CN[*:1] Cc1ccc(cc1)-c1nc2ccc(Br)cn2c1[*:1]
CCOC(=O)CNc1c(-c2ccc(C)cc2)nc2ccc(Br)cn12 Cc1ccc(cc1)[*:1] CCOC(=O)CNc1c(nc2ccc(Br)cn12)[*:1]
CCOC(=O)CNc1c(-c2ccc(C)cc2)nc2ccc(Br)cn12 CCOC(=O)[*:1] Cc1ccc(cc1)-c1nc2ccc(Br)cn2c1NC[*:1]
O=C(C[NH+]1CC(c2nc(-c3cccnc3)no2)C1)N1CCCC1 O=C(N1CCCC1)[*:1] c1cncc(c1)-c1noc(n1)C1C[NH+](C1)C[*:1]
O=C(C[NH+]1CC(c2nc(-c3cccnc3)no2)C1)N1CCCC1 c1cncc(c1)[*:1] O=C(C[NH+]1CC(C1)c1nc(no1)[*:1])N1CCCC1
O=C([O-])c1cccc(N2CCCCC2)[nH+]1 O=C([O-])[*:1] c1cc([nH+]c(c1)[*:1])N1CCCCC1
CCOc1ccc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)N[C@@H](C)c1ccc2OCCOc2c1)[*:1]
Cc1noc(C)c1CCC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1noc(C)c1CCC(=O)NC[C@H]1CC(=O)N(C1)C[*:1]
Cc1noc(C)c1CCC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 Cc1noc(C)c1C[*:1] O=C(C[*:1])NC[C@H]1CC(=O)N(Cc2ccccc2)C1
Cc1noc(C)c1CCC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 Cc1noc(C)c1[*:1] O=C(CC[*:1])NC[C@H]1CC(=O)N(Cc2ccccc2)C1
Cc1noc(C)c1CCC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] Cc1noc(C)c1CCC(=O)NC[C@H]1CC(=O)N(C1)[*:1]
COc1cccc(CO[C@H](C)C(=O)Nc2cccc(Cl)c2C(N)=O)c1 COc1cccc(c1)[*:1] C[C@@H](OC[*:1])C(=O)Nc1cccc(Cl)c1C(N)=O
COc1cccc(CO[C@H](C)C(=O)Nc2cccc(Cl)c2C(N)=O)c1 NC(=O)[*:1] COc1cccc(c1)CO[C@H](C)C(=O)Nc1cccc(Cl)c1[*:1]
C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1C[C@H](C)c2ccccc21 c1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)N1C[C@H](C)c2ccccc21
CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1 CC(C)[*:1] O=C(COc1ccc(Cl)cc1)NNC(=O)c1cc(Br)ccc1O[*:1]
CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1 CC(C)O[*:1] O=C(COc1ccc(Cl)cc1)NNC(=O)c1cc(Br)ccc1[*:1]
CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)C[*:1]
CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)CO[*:1]
Cc1csc(Sc2ccc(NC(=O)N(C)[C@@H](C)c3cccnc3)c(C)c2)n1 Cc1csc(n1)[*:1] Cc1cc(ccc1NC(=O)N(C)[C@@H](C)c1cccnc1)S[*:1]
Cc1csc(Sc2ccc(NC(=O)N(C)[C@@H](C)c3cccnc3)c(C)c2)n1 c1cncc(c1)[*:1] Cc1csc(n1)Sc1ccc(NC(=O)N(C)[C@@H](C)[*:1])c(C)c1
Cc1csc(Sc2ccc(NC(=O)N(C)[C@@H](C)c3cccnc3)c(C)c2)n1 Cc1csc(n1)S[*:1] Cc1cc(ccc1NC(=O)N(C)[C@@H](C)c1cccnc1)[*:1]
CN(C)Nc1ncnc(Nc2ccc(F)c(F)c2)c1N CN(C)N[*:1] Nc1c(ncnc1[*:1])Nc1ccc(F)c(F)c1
O=C(NCCCn1nc2n(c1=O)CCCC2)Nc1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] O=C(NCCCn1nc2CCCCn2c1=O)Nc1ccc(cc1)[*:1]
O=C(NCCCn1nc2n(c1=O)CCCC2)Nc1ccc(N2CCCS2(=O)=O)cc1 O=c1n(nc2CCCCn21)[*:1] O=C(NCCC[*:1])Nc1ccc(cc1)N1CCCS1(=O)=O
C[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)C1 C1CO[C@@H](C1)C[*:1] C[C@H]1CCC[C@H](C1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
C[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)C1 C1CO[C@@H](C1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
COC(=O)CCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 COC(=O)CC[*:1] N#Cc1ccc(cc1C(F)(F)F)NC(=O)[*:1]
COC(=O)CCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 COC(=O)C[*:1] N#Cc1ccc(cc1C(F)(F)F)NC(=O)C[*:1]
COC(=O)CCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 COC(=O)[*:1] N#Cc1ccc(cc1C(F)(F)F)NC(=O)CC[*:1]
COC(=O)CCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)CCC(=O)Nc1ccc(C#N)c(c1)[*:1]
CCc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)C[NH2+][C@@H](C)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)Nc2ccccc2)cc1 CN(C)C(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])Nc1ccccc1
CN(C)C(=O)c1ccc(CNC(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)N[*:1]
[NH2+]=C(NO)c1cccc2[nH]cnc12 [NH2+]=C(NO)[*:1] c1cc(c2nc[nH]c2c1)[*:1]
O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 c1coc(c1)[*:1] O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@H]([NH+]1CCCCC1)[*:1]
O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccco2)c(Cl)c1 c1coc(c1)C[*:1] O=[N+]([O-])c1ccc(NC[C@@H](CO)[*:1])c(Cl)c1
O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccco2)c(Cl)c1 O=[N+]([O-])[*:1] OC[C@H](CNc1ccc(cc1Cl)[*:1])Cc1ccco1
O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccco2)c(Cl)c1 c1coc(c1)[*:1] O=[N+]([O-])c1ccc(NC[C@@H](CO)C[*:1])c(Cl)c1
Cc1cc(=O)n2nc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)sc2n1 c1csc(c1)[*:1] Cc1cc(=O)n2nc(CSc3nnc(C[*:1])n3C3CCCCC3)sc2n1
Cc1cc(=O)n2nc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)sc2n1 C1CCC(CC1)[*:1] Cc1cc(=O)n2nc(CSc3nnc(Cc4cccs4)n3[*:1])sc2n1
Cc1cc(=O)n2nc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)sc2n1 c1csc(c1)C[*:1] Cc1cc(=O)n2nc(CSc3nnc(n3C3CCCCC3)[*:1])sc2n1
CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)c1ccccc1 CCOC(=O)[*:1] CN(c1ccccc1)S(=O)(=O)c1[nH]ncc1[*:1]
CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)[*:1]
NC(=O)CNC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 NC(=O)[*:1] O=C(NC[*:1])[C@@H](c1ccccc1)N1CCc2ccccc21
NC(=O)CNC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 c1ccc(cc1)[*:1] NC(=O)CNC(=O)[C@@H](N1CCc2ccccc21)[*:1]
NC(=O)CNC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 NC(=O)C[*:1] O=C(N[*:1])[C@@H](c1ccccc1)N1CCc2ccccc21
NC(=O)CNC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 NC(=O)CNC(=O)[*:1] c1ccc(cc1)[C@@H](N1CCc2ccccc21)[*:1]
Cc1c([O-])nc(SCC(=O)Nc2nccs2)n(-c2ccc(F)cc2)c1=O c1csc(n1)[*:1] Cc1c([O-])nc(SCC(=O)N[*:1])n(-c2ccc(F)cc2)c1=O
Cc1c([O-])nc(SCC(=O)Nc2nccs2)n(-c2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] Cc1c([O-])nc(SCC(=O)Nc2nccs2)n(c1=O)[*:1]
Cc1c([O-])nc(SCC(=O)Nc2nccs2)n(-c2ccc(F)cc2)c1=O O=C(Nc1nccs1)[*:1] Cc1c([O-])nc(SC[*:1])n(-c2ccc(F)cc2)c1=O
CCCCCNC(=O)c1cn(-c2cccc(OC)c2)nn1 CCCCC[*:1] COc1cccc(c1)-n1cc(nn1)C(=O)N[*:1]
CCCCCNC(=O)c1cn(-c2cccc(OC)c2)nn1 CCCC[*:1] COc1cccc(c1)-n1cc(nn1)C(=O)NC[*:1]
CCCCCNC(=O)c1cn(-c2cccc(OC)c2)nn1 CCC[*:1] COc1cccc(c1)-n1cc(nn1)C(=O)NCC[*:1]
FC(F)(F)c1c[nH+]c(N2CCN(c3nc(CCl)cs3)CC2)c(Cl)c1 FC(F)(F)[*:1] ClCc1csc(n1)N1CCN(CC1)c1[nH+]cc(cc1Cl)[*:1]
FC(F)(F)c1c[nH+]c(N2CCN(c3nc(CCl)cs3)CC2)c(Cl)c1 ClCc1csc(n1)[*:1] FC(F)(F)c1c[nH+]c(c(Cl)c1)N1CCN(CC1)[*:1]
CCOC(OCC)[C@H](O)c1ccc(C)nc1 CCO[*:1] CCOC([C@H](O)c1ccc(C)nc1)[*:1]
O=C(Nc1ccc(F)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](c1ccccc1)c1ccccn1)C(=O)N[*:1]
O=C(Nc1ccc(F)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)C(=O)N[C@@H](c1ccccn1)[*:1]
O=C(Nc1ccc(F)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1ccc(F)cc1)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(=O)NCc1ccc(-c2nc(Cc3ncc(Cl)n3C)sc2C)s1 Cn1c(Cl)cnc1[*:1] CC(=O)NCc1ccc(s1)-c1nc(C[*:1])sc1C
CC(=O)NCc1ccc(-c2nc(Cc3ncc(Cl)n3C)sc2C)s1 CC(=O)NC[*:1] Cc1sc(Cc2ncc(Cl)n2C)nc1-c1ccc(s1)[*:1]
CC(=O)NCc1ccc(-c2nc(Cc3ncc(Cl)n3C)sc2C)s1 CC(=O)N[*:1] Cc1sc(Cc2ncc(Cl)n2C)nc1-c1ccc(C[*:1])s1
CC(=O)NCc1ccc(-c2nc(Cc3ncc(Cl)n3C)sc2C)s1 Cn1c(Cl)cnc1C[*:1] CC(=O)NCc1ccc(s1)-c1nc(sc1C)[*:1]
COc1ccccc1NC(=O)Nc1ccc(NC(=O)Nc2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccccc1NC(=O)Nc1ccc(cc1)NC(=O)N[*:1]
C=C(C(=O)OC)[C@@H](O)c1csc(-c2ccc(Cl)cc2)n1 COC(=O)[*:1] C=C([C@@H](O)c1csc(n1)-c1ccc(Cl)cc1)[*:1]
C=C(C(=O)OC)[C@@H](O)c1csc(-c2ccc(Cl)cc2)n1 C=C(C(=O)OC)[*:1] O[C@@H](c1csc(n1)-c1ccc(Cl)cc1)[*:1]
O=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](O)c1ccc(F)cc1F)N[*:1]
Cc1cc(OCC[NH2+][C@@H](C)[C@H]2CCCO2)ccc1C(C)C C1CO[C@H](C1)[*:1] Cc1cc(ccc1C(C)C)OCC[NH2+][C@@H](C)[*:1]
Cc1cc(OCC[NH2+][C@@H](C)[C@H]2CCCO2)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCC[NH2+][C@@H](C)[C@H]1CCCO1
Cc1cccc(C(=O)NCC(=O)Nc2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1cccc(c1)C(=O)NCC(=O)N[*:1]
Cc1cccc(C(=O)NCC(=O)Nc2ccccc2Cl)c1 Cc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])Nc1ccccc1Cl
Cc1nn(-c2ccccc2)c2sc(C(=O)NN(C)c3ccccc3)cc12 c1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)NN(C)c1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)NN(C)c3ccccc3)cc12 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)NN(C)[*:1]
C[C@H](NC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)c1cccc(F)c1)[*:1]
C[C@H](NC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1nncn1C Fc1cccc(c1)[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)[*:1])c1nncn1C
CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H]2C=C[C@H](CO)C2)c1 CC(C)(C)OC(=O)N[*:1] O=C(Cc1cccc(c1)[*:1])N[C@@H]1C=C[C@H](CO)C1
CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H]2C=C[C@H](CO)C2)c1 CC(C)(C)[*:1] O=C(Cc1cccc(c1)NC(=O)O[*:1])N[C@@H]1C=C[C@H](CO)C1
C[C@@H](CC(=O)[C@@H](C#N)c1nc([O-])c2ccc(Cl)cc2n1)C1CC1 C[C@@H](C1CC1)[*:1] N#C[C@H](C(=O)C[*:1])c1nc([O-])c2ccc(Cl)cc2n1
C[C@@H](CC(=O)[C@@H](C#N)c1nc([O-])c2ccc(Cl)cc2n1)C1CC1 C[C@@H](C[*:1])C1CC1 N#C[C@H](C(=O)[*:1])c1nc([O-])c2ccc(Cl)cc2n1
C[C@@H](CC(=O)[C@@H](C#N)c1nc([O-])c2ccc(Cl)cc2n1)C1CC1 C1CC1[*:1] C[C@@H](CC(=O)[C@@H](C#N)c1nc([O-])c2ccc(Cl)cc2n1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 CC(=O)N[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CC[NH+](CC1)[C@H]1C[C@H]2CC[C@@H]1C2
Cc1ccccc1[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)C(C)C c1ncn(n1)[*:1] Cc1ccccc1[C@H]([NH2+]Cc1ccc(cc1)[*:1])C(C)C
Cc1ccccc1[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)C(C)C CC(C)[*:1] Cc1ccccc1[C@H]([NH2+]Cc1ccc(cc1)-n1cncn1)[*:1]
Cc1ccccc1[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)-n1cncn1)[*:1]
C[C@@H](NC(=O)c1ccc(F)c(COCC2CC2)c1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](NC(=O)c1ccc(F)c(c1)COCC1CC1)[*:1]
C[C@@H](NC(=O)c1ccc(F)c(COCC2CC2)c1)c1cnn(C)c1 C1CC1COC[*:1] C[C@@H](NC(=O)c1ccc(F)c(c1)[*:1])c1cnn(C)c1
C[C@@H](NC(=O)c1ccc(F)c(COCC2CC2)c1)c1cnn(C)c1 C1CC1[*:1] C[C@@H](NC(=O)c1ccc(F)c(c1)COC[*:1])c1cnn(C)c1
C[C@@H](NC(=O)c1ccc(F)c(COCC2CC2)c1)c1cnn(C)c1 C1CC1C[*:1] C[C@@H](NC(=O)c1ccc(F)c(c1)CO[*:1])c1cnn(C)c1
C[C@@H](NC(=O)c1ccc(F)c(COCC2CC2)c1)c1cnn(C)c1 C[C@@H](c1cnn(C)c1)[*:1] O=C(N[*:1])c1ccc(F)c(c1)COCC1CC1
C[C@@H](NC(=O)c1ccc(F)c(COCC2CC2)c1)c1cnn(C)c1 C1CC1CO[*:1] C[C@@H](NC(=O)c1ccc(F)c(c1)C[*:1])c1cnn(C)c1
C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1nc2ccccc2n1C CC(C)(C)OC(=O)NC[*:1] C[C@@H]([NH2+][C@@H]1CCC[C@H]1[*:1])c1nc2ccccc2n1C
C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1nc2ccccc2n1C CC(C)(C)OC(=O)N[*:1] C[C@@H]([NH2+][C@@H]1CCC[C@@H]1C[*:1])c1nc2ccccc2n1C
C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1nc2ccccc2n1C CC(C)(C)[*:1] C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)O[*:1])c1nc2ccccc2n1C
C[C@@H](CO)CNC(=O)C[C@@H]1C[NH2+]CCO1 C[C@@H](CO)[*:1] O=C(C[C@@H]1C[NH2+]CCO1)NC[*:1]
C[C@@H](CO)CNC(=O)C[C@@H]1C[NH2+]CCO1 C[C@@H](CO)C[*:1] O=C(C[C@@H]1C[NH2+]CCO1)N[*:1]
C[C@H](NCc1cnc(N(C)C)s1)c1cccc(Cl)c1 CN(C)[*:1] C[C@H](NCc1cnc(s1)[*:1])c1cccc(Cl)c1
O=C(NCc1ccc(Cl)cc1)c1nn(-c2ccc(F)cc2)nc1CO Fc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)c1nn(nc1CO)[*:1]
O=C(NCc1ccc(Cl)cc1)c1nn(-c2ccc(F)cc2)nc1CO Clc1ccc(cc1)C[*:1] O=C(N[*:1])c1nn(nc1CO)-c1ccc(F)cc1
O=C(NCc1ccc(Cl)cc1)c1nn(-c2ccc(F)cc2)nc1CO Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1nn(nc1CO)-c1ccc(F)cc1
CCN(C(=S)NC(=O)COc1cccc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=S)NC(=O)COc1cccc2ccccc12)[*:1]
COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Br COc1ccc(cc1Br)[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)NC(=C[*:1])C1=O
COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Br Cc1cccc(c1)[*:1] COc1ccc(/C=C2/NC(=O)N(CC(=O)N[*:1])C2=O)cc1Br
Cc1cc(NC(=O)[C@H](C)Oc2cccc(C#N)c2)c(C(N)=O)cc1F NC(=O)[*:1] Cc1cc(NC(=O)[C@H](C)Oc2cccc(C#N)c2)c(cc1F)[*:1]
Cc1cc(NC(=O)[C@H](C)Oc2cccc(C#N)c2)c(C(N)=O)cc1F N#Cc1cccc(c1)[*:1] Cc1cc(NC(=O)[C@H](C)O[*:1])c(cc1F)C(N)=O
CC1(C)CC[NH+](Cc2ccc(F)cc2/C=C/C(=O)[O-])C1 O=C([O-])[*:1] CC1(C)CC[NH+](Cc2ccc(F)cc2C=C[*:1])C1
CC1(C)CC[NH+](Cc2ccc(F)cc2/C=C/C(=O)[O-])C1 O=C([O-])C=C[*:1] CC1(C)CC[NH+](Cc2ccc(F)cc2[*:1])C1
COC(=O)c1ncn(Cc2sccc2Br)n1 COC(=O)[*:1] Brc1ccsc1Cn1cnc(n1)[*:1]
COCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 COCCC[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)N[*:1])[C@@H]1c1cccs1
COCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 COC[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)NCC[*:1])[C@@H]1c1cccs1
COCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 COCC[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)NC[*:1])[C@@H]1c1cccs1
COCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 c1csc(c1)[*:1] COCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1[*:1]
COCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 COCCCNC(=O)[*:1] CN1C(=O)c2ccccc2[C@@H]([C@@H]1c1cccs1)[*:1]
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)C[C@@H](C)CO)cc1Cl C[C@@H](CO)[*:1] Cc1ccc(cc1Cl)NC(=O)[C@@H](C)S(=O)(=O)C[*:1]
Cn1ccc(NCc2cc(=O)n(C)c(=O)n2C)n1 Cn1ccc(n1)[*:1] Cn1c(cc(=O)n(C)c1=O)CN[*:1]
Cc1nc(-c2cccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)c2)n[nH]1 FC(F)(F)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C[NH2+]Cc1ccc(cc1)O[*:1]
Cc1nc(-c2cccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)c2)n[nH]1 FC(F)(F)O[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C[NH2+]Cc1ccc(cc1)[*:1]
Cc1nc(-c2cccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] FC(F)(F)Oc1ccc(cc1)C[NH2+]Cc1cccc(c1)[*:1]
COC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)s1 COC(=O)[*:1] O=C(Nc1ccc(s1)[*:1])c1cnc(Cl)c(Cl)c1
COC(=O)c1cc(NC(=O)c2cc(C)nc3ccccc23)cc(C(=O)OC)c1 COC(=O)[*:1] COC(=O)c1cc(cc(c1)[*:1])NC(=O)c1cc(C)nc2ccccc12
C[C@@H](NC(=O)c1sccc1C1CC1)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)c1sccc1C1CC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1sccc1C1CC1)c1ccc(-c2ccncc2)cc1 c1cc(c(s1)[*:1])C1CC1 C[C@@H](NC(=O)[*:1])c1ccc(cc1)-c1ccncc1
C[C@@H](NC(=O)c1sccc1C1CC1)c1ccc(-c2ccncc2)cc1 C1CC1[*:1] C[C@@H](NC(=O)c1sccc1[*:1])c1ccc(cc1)-c1ccncc1
COc1ccccc1OCC(=O)NCC1CCN(C(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] COc1ccccc1OCC(=O)NCC1CCN(CC1)C(=O)[*:1]
COc1ccccc1OCC(=O)NCC1CCN(C(=O)c2cccnc2)CC1 COc1ccccc1[*:1] O=C(CO[*:1])NCC1CCN(CC1)C(=O)c1cccnc1
COc1ccccc1OCC(=O)NCC1CCN(C(=O)c2cccnc2)CC1 COc1ccccc1O[*:1] O=C(C[*:1])NCC1CCN(CC1)C(=O)c1cccnc1
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 C1CO[C@@H](C1)C[*:1] O=C(Nc1cnn(c1)[*:1])N1CCCC[C@H]1c1[nH]cc[nH+]1
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 C1CO[C@@H](C1)[*:1] O=C(Nc1cnn(c1)C[*:1])N1CCCC[C@H]1c1[nH]cc[nH+]1
Cc1cc(OCC(=O)N/N=C/C=C/c2ccccc2)cc(C)c1Cl c1ccc(cc1)[*:1] Cc1cc(cc(C)c1Cl)OCC(=O)N/N=C/C=C[*:1]
Cc1cc(OCC(=O)N/N=C/C=C/c2ccccc2)cc(C)c1Cl C(=C[*:1])c1ccccc1 Cc1cc(cc(C)c1Cl)OCC(=O)NN=C[*:1]
Cn1ncc(N2CC[C@H](CNC(=O)c3cccc(-n4cnnc4)c3)C2)cc1=O c1nncn1[*:1] Cn1ncc(cc1=O)N1CC[C@H](CNC(=O)c2cccc(c2)[*:1])C1
Cn1ncc(N2CC[C@H](CNC(=O)c3cccc(-n4cnnc4)c3)C2)cc1=O Cn1ncc(cc1=O)[*:1] O=C(NC[C@H]1CCN(C1)[*:1])c1cccc(c1)-n1cnnc1
Cc1ccc(-c2n[nH]c(/N=C(\[O-])[C@H]3CCS(=O)(=O)C3)n2)cc1 Cc1ccc(cc1)[*:1] O=S1(=O)CC[C@@H](C1)/C([O-])=N/c1nc(n[nH]1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)C1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)C1CCN(CC1)[*:1]
CCOC1(OCC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)C=CC(=O)[C@H]12 CCO[*:1] CCOC1([C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)C=CC(=O)[C@H]12)[*:1]
C[C@H](C(N)=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 C[C@H](C(N)=O)[*:1] C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC1)[*:1]
C[C@H](C(N)=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 C1CC1[*:1] C[C@H](C(N)=O)N1CC[NH+](CC1)[C@H](C)C(=O)N[*:1]
C[C@H](C(N)=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 NC(=O)[*:1] C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC1)[C@@H](C)[*:1]
C[C@H](C(N)=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] C[C@H](C(N)=O)N1CC[NH+](CC1)[C@H](C)[*:1]
O=C(Cc1nc2cccc(Cl)c2s1)C(F)(F)F FC(F)(F)[*:1] O=C(Cc1nc2cccc(Cl)c2s1)[*:1]
c1ccc(-c2nnc(CSc3nnc4sc5ccccc5n34)o2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)sc1nnc(SCc3nnc(o3)[*:1])n12
Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)CNS(=O)(=O)C[*:1]
Cc1ccc(Cn2cc(NC(=O)CNC(=O)c3cc4ccccn4n3)cn2)cc1 c1ccn2nc(cc2c1)[*:1] Cc1ccc(cc1)Cn1cc(cn1)NC(=O)CNC(=O)[*:1]
Cc1ccc(Cn2cc(NC(=O)CNC(=O)c3cc4ccccn4n3)cn2)cc1 Cc1ccc(cc1)[*:1] O=C(CNC(=O)c1cc2ccccn2n1)Nc1cnn(c1)C[*:1]
Cc1ccc(Cn2cc(NC(=O)CNC(=O)c3cc4ccccn4n3)cn2)cc1 Cc1ccc(cc1)C[*:1] O=C(CNC(=O)c1cc2ccccn2n1)Nc1cnn(c1)[*:1]
CCc1nn(C)cc1/C=C(/C#N)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1/C=C(/C#N)C(=O)N[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)C3CC3)CC2)c(C(N)=O)cc1F NC(=O)[*:1] Cc1cc(NC(=O)C2CCN(CC2)C(=O)C2CC2)c(cc1F)[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)C3CC3)CC2)c(C(N)=O)cc1F C1CC1[*:1] Cc1cc(NC(=O)C2CCN(CC2)C(=O)[*:1])c(cc1F)C(N)=O
CC[C@H]1CCCCN1C(=O)CN1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] CC[C@H]1CCCCN1C(=O)CN1CCN(CC1)[*:1]
CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CN(C[C@@H](O)COc1ccc(cc1)C(F)(F)F)C(=O)N[*:1]
CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1nccs1 FC(F)(F)[*:1] CN(C[C@@H](O)COc1ccc(cc1)[*:1])C(=O)Nc1nccs1
COc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1 Cc1cc(C)c(c(C)c1)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(Cc1ccc(F)cc1)S(=O)(=O)[*:1]
COc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1 Fc1ccc(cc1)C[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(S(=O)(=O)c1c(C)cc(C)cc1C)[*:1]
COc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1 Fc1ccc(cc1)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(C[*:1])S(=O)(=O)c1c(C)cc(C)cc1C
Cc1cc(F)ccc1NC(=O)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1 Cc1cc(F)ccc1NC(=O)[*:1] O=c1ccc(nn1Cc1ccc(o1)[*:1])N1CCN(CC1)c1ccccc1
Cc1cc(F)ccc1NC(=O)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1 c1ccc(cc1)N1CCN(CC1)[*:1] Cc1cc(F)ccc1NC(=O)c1ccc(Cn2nc(ccc2=O)[*:1])o1
Cc1cc(F)ccc1NC(=O)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1 c1ccc(cc1)[*:1] Cc1cc(F)ccc1NC(=O)c1ccc(Cn2nc(ccc2=O)N2CCN(CC2)[*:1])o1
Cc1cc(F)ccc1NC(=O)c1ccc(Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)o1 Cc1cc(F)ccc1[*:1] O=C(N[*:1])c1ccc(Cn2nc(ccc2=O)N2CCN(CC2)c2ccccc2)o1
N[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F FC(F)(F)[*:1] N[C@@H](c1ccc2OCCOc2c1)[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)c1cccs1 c1csc(c1)[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)[*:1]
CCNC(=O)N1CC[NH+](Cc2cc(C)on2)CC1 Cc1cc(no1)[*:1] CCNC(=O)N1CC[NH+](CC1)C[*:1]
CCC(CC)[C@@H](C#N)S(C)(=O)=O CS(=O)(=O)[*:1] CCC(CC)[C@@H](C#N)[*:1]
O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc(ccc1Cl)[*:1]
C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 O=C([O-])[*:1] C[C@H](CNS(=O)(=O)c1ccc(o1)[*:1])c1ccccc1
C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNS(=O)(=O)c1ccc(o1)C(=O)[O-])[*:1]
C[C@@H](NC(=O)C(=O)NCC[C@H](O)c1cccc2ccccc12)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NCC[C@H](O)c1cccc2ccccc12)C(=O)N[*:1]
C[C@@H](NC(=O)C(=O)NCC[C@H](O)c1cccc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)NCC[C@H](O)c1cccc2ccccc12)[*:1]
Cc1ccc(C)c(NC(=O)C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)C(=O)N[*:1]
Cc1ccc(C)c(NC(=O)C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)N1C[C@H](O[C@H](C)C1)[*:1]
O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@H]1COc2ccccc2C1 C1CC1[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])[C@H]1COc2ccccc2C1
O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@H]1COc2ccccc2C1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C1CC1)[C@H]1COc2ccccc2C1
O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@H]1COc2ccccc2C1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C1CC1)[*:1])[C@H]1COc2ccccc2C1
CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O c1cc2CCCc2cc1[*:1] CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CCC[C@@H](NCc1nc(C)sc1C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC[C@@H](NCc1nc(C)sc1C)c1cccc(c1)[*:1]
CCC[C@@H](NCc1nc(C)sc1C)c1cccc([N+](=O)[O-])c1 CCC[*:1] Cc1nc(CN[C@@H](c2cccc(c2)[N+](=O)[O-])[*:1])c(C)s1
CCC[C@@H](NCc1nc(C)sc1C)c1cccc([N+](=O)[O-])c1 Cc1nc(c(C)s1)[*:1] CCC[C@@H](NC[*:1])c1cccc(c1)[N+](=O)[O-]
CCc1nn(C)cc1CNC(=O)C(=O)Nc1cc(C)c(Cl)cc1OC CCc1nn(C)cc1[*:1] COc1cc(Cl)c(C)cc1NC(=O)C(=O)NC[*:1]
O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)NCc1cccs1 c1csc(c1)C[*:1] O=C(COCC(=O)N1CCN(CC1)c1ccccc1F)N[*:1]
O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)NCc1cccs1 O=C(NCc1cccs1)[*:1] O=C(COC[*:1])N1CCN(CC1)c1ccccc1F
O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)NCc1cccs1 c1csc(c1)[*:1] O=C(COCC(=O)N1CCN(CC1)c1ccccc1F)NC[*:1]
O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)NCc1cccs1 Fc1ccccc1[*:1] O=C(COCC(=O)N1CCN(CC1)[*:1])NCc1cccs1
CCC[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccc(Cl)c(Cl)c1 CCC[*:1] C[C@H](C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[*:1])[S@](C)=O
CCC[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccc(Cl)c(Cl)c1 C[S@](=O)[*:1] CCC[C@H]([NH2+]C[C@@H](C)[*:1])c1ccc(Cl)c(Cl)c1
Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2ccncc2)c(C)c1 Cc1ccc(NC(=O)[*:1])c(C)c1 Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H]([C@H]2c2ccncc2)[*:1])c(C)c1
Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2ccncc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)N[*:1])[C@H]2c2ccncc2)c(C)c1
Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2ccncc2)c(C)c1 c1cc(ccn1)[*:1] Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@@H]2[*:1])c(C)c1
Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2ccncc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(NC(=O)[C@H]2[C@@H](c3ccncc3)[C@@H](C(=O)C[C@]2(C)O)C(=O)N[*:1])c(C)c1
Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2ccncc2)c(C)c1 Cc1ccc(NC(=O)[*:1])c(C)c1 Cc1ccc(NC(=O)[C@H]2[C@@H](c3ccncc3)[C@@H](C(=O)C[C@]2(C)O)[*:1])c(C)c1
C[NH+](C)CCCN1c2ccccc2CCc2cc(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)ccc21 O=C([O-])[*:1] C[NH+](C)CCCN1c2ccccc2CCc2cc(ccc21)O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@H]1O)[*:1]
CSC[C@@H](C)C(=O)NC1(c2ccc(F)cc2F)CCCC1 CSC[*:1] C[C@@H](C(=O)NC1(CCCC1)c1ccc(F)cc1F)[*:1]
O=C(NC[C@H](O)c1ccco1)C(=O)Nc1cccc(Cn2cccn2)c1 c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1cccc(c1)Cn1cccn1
O=C(NC[C@H](O)c1ccco1)C(=O)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] O=C(NC[C@H](O)c1ccco1)C(=O)Nc1cccc(c1)C[*:1]
O=C(NC[C@H](O)c1ccco1)C(=O)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] O=C(NC[C@H](O)c1ccco1)C(=O)Nc1cccc(c1)[*:1]
C=CCN(C(=O)CC1=c2cc(C)cc(C)c2=[NH+][C@@H]1C)[C@H]1CCS(=O)(=O)C1 C=CC[*:1] Cc1cc(C)c2=[NH+][C@H](C)C(CC(=O)N([C@H]3CCS(=O)(=O)C3)[*:1])=c2c1
C=CCN(C(=O)CC1=c2cc(C)cc(C)c2=[NH+][C@@H]1C)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C=CCN(C(=O)CC1=c2cc(C)cc(C)c2=[NH+][C@@H]1C)[*:1]
CC[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[C@@H]1c1ccccc1 N#CC[*:1] CC[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)Cc1cccc(c1)O[*:1]
CC[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@H]1[*:1])C(=O)Cc1cccc(c1)OCC#N
CC[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[C@@H]1c1ccccc1 N#CCO[*:1] CC[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)Cc1cccc(c1)[*:1]
Cn1c(C(=O)NCCCN2CCOCC2)cc(Cl)c1Cl C1CN(CCO1)[*:1] Cn1c(cc(Cl)c1Cl)C(=O)NCCC[*:1]
C[C@H](C1CC1)N(C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 C1CC1[*:1] C[C@H](N(C(=O)/C=C/c1ccc(Cl)c(c1)[N+](=O)[O-])C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 O=[N+]([O-])[*:1] C[C@H](C1CC1)N(C(=O)/C=C/c1ccc(Cl)c(c1)[*:1])C1CC1
C[C@H](C1CC1)N(C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 C1CC1[*:1] C[C@H](C1CC1)N(C(=O)/C=C/c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
COC[C@@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 c1cn(cn1)[*:1] COC[C@@H](N[C@@H](C)c1ccc(cc1)[*:1])c1ccccc1
COC[C@@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 COC[*:1] C[C@H](N[C@@H](c1ccccc1)[*:1])c1ccc(cc1)-n1ccnc1
COC[C@@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@H](N[C@@H](C)c1ccc(cc1)-n1ccnc1)[*:1]
CCC(C)(C)N(C)C(=O)c1cnn2cc(Br)cnc12 CCC(C)(C)[*:1] CN(C(=O)c1cnn2cc(Br)cnc12)[*:1]
CCCCC(=O)N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 C1CO[C@@H](C1)C[*:1] CCCCC(=O)N(c1nc2c(F)cc(F)cc2s1)[*:1]
CCCCC(=O)N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 CCCC[*:1] O=C(N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1)[*:1]
CCCCC(=O)N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 C1CO[C@@H](C1)[*:1] CCCCC(=O)N(C[*:1])c1nc2c(F)cc(F)cc2s1
CCCCC(=O)N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 CCC[*:1] O=C(C[*:1])N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 O[C@H](Cc1ccccc1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(Cl)c(c1)N1CCCS1(=O)=O
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 O[C@H](Cc1ccccc1)C[*:1] O=C(Nc1ccc(Cl)c(c1)N1CCCS1(=O)=O)C(=O)N[*:1]
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 c1ccc(cc1)[*:1] O=C(NC[C@H](O)C[*:1])C(=O)Nc1ccc(Cl)c(c1)N1CCCS1(=O)=O
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 c1ccc(cc1)C[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1ccc(Cl)c(c1)N1CCCS1(=O)=O
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 O=S1(=O)CCCN1[*:1] O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
O=C(CSc1nc2ccccc2[nH]1)Nc1ccnn1C1CCCC1 C1CCC(C1)[*:1] O=C(CSc1nc2ccccc2[nH]1)Nc1ccnn1[*:1]
O=C(c1ccncc1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 c1cc(ccn1)[*:1] O=C(c1n[nH]c2ccccc12)N1CCN(CC1)C(=O)[*:1]
Cc1nsc(N(C)C(=O)[C@@H]2CC(=O)N(C)C2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(c1[*:1])N(C)C(=O)[C@@H]1CC(=O)N(C)C1
COc1c(Br)cc(C[NH2+]CCO)cc1Br OCC[*:1] COc1c(Br)cc(cc1Br)C[NH2+][*:1]
O=C(/C=C/c1cnc(-c2ccccn2)s1)c1ccc(F)c(Cl)c1 c1ccc(nc1)[*:1] O=C(/C=C/c1cnc(s1)[*:1])c1ccc(F)c(Cl)c1
C=CCNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 C=CC[*:1] O=C(N[*:1])[C@H]1Cc2cc(Cl)ccc2O1
Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c(C(=O)c2ccccc2)c1 O=C(c1ccccc1)[*:1] Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c(c1)[*:1]
Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c(C(=O)c2ccccc2)c1 O=C(N1CCOCC1)[*:1] Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2[*:1])c(c1)C(=O)c1ccccc1
Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c(C(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c(c1)C(=O)[*:1]
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 Cc1ccc(cc1)[*:1] O=C(CCn1c(n[nH]c1=S)[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1n[nH]c(=S)n1CCC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)c(OC)c1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(-c2csc(n2)NC(=O)c2ccc(cc2)[*:1])c(c1)OC
CS(=O)(=O)Cc1noc(C2(c3ccccc3)CCCC2)n1 c1ccc(cc1)[*:1] CS(=O)(=O)Cc1noc(n1)C1(CCCC1)[*:1]
CS(=O)(=O)Cc1noc(C2(c3ccccc3)CCCC2)n1 CS(=O)(=O)[*:1] c1ccc(cc1)C1(CCCC1)c1nc(C[*:1])no1
CS(=O)(=O)Cc1noc(C2(c3ccccc3)CCCC2)n1 CS(=O)(=O)C[*:1] c1ccc(cc1)C1(CCCC1)c1nc(no1)[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)CCN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C CC(C)[*:1] CC(C)c1cccc(c1NC(=O)CCN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C)[*:1]
O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)c1ccc(cc1)[*:1]
O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1ccc(C(F)(F)F)cc1 c1cnc(nc1)[*:1] O=C(NC[C@H]1CCCN(C1)[*:1])c1ccc(cc1)C(F)(F)F
COc1cc([N+](=O)[O-])ccc1NC(=O)CCS(=O)(=O)c1ccccc1 O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)CCS(=O)(=O)c1ccccc1)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)CCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1NC(=O)CCS(=O)(=O)[*:1])[N+](=O)[O-]
CC(C)c1csc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)n1 CC(C)[*:1] O=C(COc1ccc2NC(=O)CCc2c1)Nc1nc(cs1)[*:1]
CC(C)c1csc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)n1 CC(C)c1csc(n1)[*:1] O=C1CCc2cc(ccc2N1)OCC(=O)N[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccccc1C[NH+]1CCCC1 O=C(N[*:1])c1cccs1 C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccccc1C[NH+]1CCCC1 c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCc1ccccc1C[NH+]1CCCC1
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c1C CC1CCN(CC1)C(=O)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)[*:1]
CC(=O)N1CCC(NC(=O)NCc2ccnc(OCC(F)F)c2)CC1 FC(F)C[*:1] CC(=O)N1CCC(CC1)NC(=O)NCc1ccnc(c1)O[*:1]
CC(=O)N1CCC(NC(=O)NCc2ccnc(OCC(F)F)c2)CC1 FC(F)CO[*:1] CC(=O)N1CCC(CC1)NC(=O)NCc1ccnc(c1)[*:1]
CC(=O)N1CCC(NC(=O)NCc2ccnc(OCC(F)F)c2)CC1 FC(F)[*:1] CC(=O)N1CCC(CC1)NC(=O)NCc1ccnc(c1)OC[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 CC[C@@H](C)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(Cl)c(c1)S(C)(=O)=O
CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(Cl)c(c1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 CC[C@@H](C)C[*:1] C[C@H](NC(=O)c1ccc(Cl)c(c1)S(C)(=O)=O)[*:1]
CCOc1ncccc1CNC(=O)NC1CC[NH+](C)CC1 CCO[*:1] C[NH+]1CCC(CC1)NC(=O)NCc1cccnc1[*:1]
CC(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)NC(=O)[C@@H]1CCCC[C@H]1[*:1]
CC(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H]1CCCC[C@H]1C(=O)N[*:1]
Cc1n[nH]c(C)c1CCOC(=O)c1cnn(-c2ccncc2)c1C Cc1n[nH]c(C)c1[*:1] Cc1c(cnn1-c1ccncc1)C(=O)OCC[*:1]
Cc1n[nH]c(C)c1CCOC(=O)c1cnn(-c2ccncc2)c1C c1cc(ccn1)[*:1] Cc1n[nH]c(C)c1CCOC(=O)c1cnn(c1C)[*:1]
Cc1n[nH]c(C)c1CCOC(=O)c1cnn(-c2ccncc2)c1C Cc1n[nH]c(C)c1C[*:1] Cc1c(cnn1-c1ccncc1)C(=O)OC[*:1]
CCc1noc(CC)c1CC(=O)NCC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CCc1noc(CC)c1CC(=O)NCC(C)(C)[*:1]
COc1cccc([C@@H](CNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)[NH+]2CCCC2)c1 CC(C)[*:1] COc1cccc(c1)[C@@H](CNC(=O)c1nn(c(=O)c2ccccc12)[*:1])[NH+]1CCCC1
COc1cccc([C@@H](CNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] CC(C)n1nc(C(=O)NC[C@@H]([NH+]2CCCC2)[*:1])c2ccccc2c1=O
CC[C@@H](CNC(=O)Cc1ccc[nH]1)Oc1ccccc1F c1c[nH]c(c1)[*:1] CC[C@@H](CNC(=O)C[*:1])Oc1ccccc1F
CC[C@@H](CNC(=O)Cc1ccc[nH]1)Oc1ccccc1F c1c[nH]c(c1)C[*:1] CC[C@@H](CNC(=O)[*:1])Oc1ccccc1F
CC[C@@H](CNC(=O)Cc1ccc[nH]1)Oc1ccccc1F Fc1ccccc1[*:1] CC[C@@H](CNC(=O)Cc1ccc[nH]1)O[*:1]
COC(=O)c1cnc(NC(=O)Cc2cccc(C(F)(F)F)c2)s1 FC(F)(F)[*:1] COC(=O)c1cnc(NC(=O)Cc2cccc(c2)[*:1])s1
COC(=O)c1cnc(NC(=O)Cc2cccc(C(F)(F)F)c2)s1 COC(=O)[*:1] O=C(Cc1cccc(c1)C(F)(F)F)Nc1ncc(s1)[*:1]
CNc1nc(CNC(=O)Nc2cc(C#N)ccc2Cl)cs1 CNc1nc(cs1)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NC[*:1]
Cc1cc(NC(=O)CNc2ccc(C(=O)N(C)C)c(C)c2)n(C(C)(C)C)n1 CC(C)(C)[*:1] Cc1cc(NC(=O)CNc2ccc(C(=O)N(C)C)c(C)c2)n(n1)[*:1]
Cc1cc(NC(=O)CNc2ccc(C(=O)N(C)C)c(C)c2)n(C(C)(C)C)n1 CN(C)C(=O)[*:1] Cc1cc(NC(=O)CNc2ccc(c(C)c2)[*:1])n(n1)C(C)(C)C
CCCc1nc(C(=O)N2CCNC(=O)[C@H]2C)n[nH]1 CCC[*:1] C[C@@H]1C(=O)NCCN1C(=O)c1n[nH]c(n1)[*:1]
C/C(=N/Nc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=NNc1nc(n[nH]1)SCC(=O)Nc1c(Cl)cccc1Cl)[*:1]
C/C(=N/Nc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1)c1ccc(F)cc1 Clc1cccc(Cl)c1[*:1] C/C(=N/Nc1nc(n[nH]1)SCC(=O)N[*:1])c1ccc(F)cc1
CC(=O)c1c(F)cccc1NCCCN(C)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1c(F)cccc1NCCCN(C)[*:1]
CC(=O)c1c(F)cccc1NCCCN(C)c1ccccc1 CC(=O)[*:1] CN(CCCNc1cccc(F)c1[*:1])c1ccccc1
Cc1ccc(CN(C(=O)NCc2nc(C)c(C)o2)C2CC2)cc1C Cc1ccc(cc1C)[*:1] Cc1nc(CNC(=O)N(C[*:1])C2CC2)oc1C
Cc1ccc(CN(C(=O)NCc2nc(C)c(C)o2)C2CC2)cc1C Cc1nc(C[*:1])oc1C Cc1ccc(cc1C)CN(C(=O)N[*:1])C1CC1
Cc1ccc(CN(C(=O)NCc2nc(C)c(C)o2)C2CC2)cc1C Cc1nc(oc1C)[*:1] Cc1ccc(cc1C)CN(C(=O)NC[*:1])C1CC1
Cc1ccc(CN(C(=O)NCc2nc(C)c(C)o2)C2CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)CN(C(=O)NCc1nc(C)c(C)o1)[*:1]
COc1ccc(NC(=O)CCNC(=O)c2ccccc2C)c(OC)c1 Cc1ccccc1[*:1] COc1ccc(NC(=O)CCNC(=O)[*:1])c(c1)OC
O=C(CCc1cccs1)Oc1ccc(N2CCCC2)cc1 c1csc(c1)C[*:1] O=C(C[*:1])Oc1ccc(cc1)N1CCCC1
O=C(CCc1cccs1)Oc1ccc(N2CCCC2)cc1 C1CCN(C1)[*:1] O=C(CCc1cccs1)Oc1ccc(cc1)[*:1]
O=C(CCc1cccs1)Oc1ccc(N2CCCC2)cc1 c1csc(c1)CC[*:1] O=C(Oc1ccc(cc1)N1CCCC1)[*:1]
O=C(CCc1cccs1)Oc1ccc(N2CCCC2)cc1 c1csc(c1)[*:1] O=C(CC[*:1])Oc1ccc(cc1)N1CCCC1
O=C(Nc1ccccc1-c1ncc[nH]1)c1cccc2cn[nH]c12 c1c[nH]c(n1)[*:1] O=C(Nc1ccccc1[*:1])c1cccc2cn[nH]c12
CC(=O)Nc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)ccc1F FC(F)(F)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)[C@@H]1CCCC[C@H]1[*:1]
CC(=O)Nc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)ccc1F CC(=O)N[*:1] O=C(Nc1ccc(F)c(c1)[*:1])[C@@H]1CCCC[C@@H]1C(F)(F)F
[NH3+][C@@H]1C=C[C@H](C(=O)N2CCC(C(=O)NCCCO)CC2)C1 OCC[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N1CCC(CC1)C(=O)NC[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)N2CCC(C(=O)NCCCO)CC2)C1 OCCC[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N1CCC(CC1)C(=O)N[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)N2CCC(C(=O)NCCCO)CC2)C1 O=C(NCCCO)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N1CCC(CC1)[*:1]
COC(=O)c1ccc(C(=O)N2CCCc3c(C)cc(C)cc32)cc1 COC(=O)[*:1] Cc1cc(C)c2CCCN(C(=O)c3ccc(cc3)[*:1])c2c1
Cc1cnc(C(C)(C)NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[*:1]
Cc1cnc(C(C)(C)NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] Cc1cnc(s1)C(C)(C)NC(=O)c1cc(Cl)ccc1[*:1]
CCn1nccc1[C@]1(C(C)C)CCC[NH2+]1 CC(C)[*:1] CCn1nccc1[C@@]1(CCC[NH2+]1)[*:1]
Cc1ccc(CNC(=O)[C@H](C)OCC2CC2)c(N(C)C)c1 C1CC1CO[*:1] Cc1ccc(CNC(=O)[C@H](C)[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)[C@H](C)OCC2CC2)c(N(C)C)c1 C1CC1C[*:1] Cc1ccc(CNC(=O)[C@H](C)O[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)[C@H](C)OCC2CC2)c(N(C)C)c1 C1CC1[*:1] Cc1ccc(CNC(=O)[C@H](C)OC[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)[C@H](C)OCC2CC2)c(N(C)C)c1 C[C@H](OCC1CC1)[*:1] Cc1ccc(CNC(=O)[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)[C@H](C)OCC2CC2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)[C@H](C)OCC2CC2)c(c1)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(cc1)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(cc1)S(=O)(=O)[*:1]
COC(=O)CCC(=O)N1CCc2[nH]nc(-c3cccc(OC)c3)c2C1 COc1cccc(c1)[*:1] COC(=O)CCC(=O)N1CCc2[nH]nc(c2C1)[*:1]
COC(=O)CCC(=O)N1CCc2[nH]nc(-c3cccc(OC)c3)c2C1 COC(=O)C[*:1] COc1cccc(c1)-c1n[nH]c2CCN(Cc12)C(=O)C[*:1]
COC(=O)CCC(=O)N1CCc2[nH]nc(-c3cccc(OC)c3)c2C1 COC(=O)CC[*:1] COc1cccc(c1)-c1n[nH]c2CCN(Cc12)C(=O)[*:1]
COC(=O)CCC(=O)N1CCc2[nH]nc(-c3cccc(OC)c3)c2C1 COC(=O)[*:1] COc1cccc(c1)-c1n[nH]c2CCN(Cc12)C(=O)CC[*:1]
Cc1csc(CCn2c(=S)[nH]c3cccnc32)n1 Cc1csc(n1)[*:1] S=c1[nH]c2cccnc2n1CC[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](C)C2)cc1 CC(C)C[*:1] C[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](C)C2)cc1 CC(C)[*:1] C[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(cc1)NC(=O)C[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](C)C2)cc1 CC(C)CC(=O)N[*:1] C[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(C(=O)N2CCCC2)CC1 O=C(N[*:1])c1ccccc1 CC[C@H](C)[C@H](C(=O)N1CCC(CC1)C(=O)N1CCCC1)[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(C(=O)N2CCCC2)CC1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)[*:1])C(=O)N1CCC(CC1)C(=O)N1CCCC1
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(CC1)[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(C(=O)N2CCCC2)CC1 CC[C@H](C)[*:1] O=C(N[C@H](C(=O)N1CCC(CC1)C(=O)N1CCCC1)[*:1])c1ccccc1
CC[C@H](C)[C@H](NC(=O)C[C@H]1SC(N)=NC1=O)c1nc2ccccc2[nH]1 CC[C@H](C)[*:1] NC1=NC(=O)[C@@H](CC(=O)N[C@H](c2nc3ccccc3[nH]2)[*:1])S1
CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)NC1CCN(CC1)C(=O)[*:1]
CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 CCO[*:1] Cc1ccc(cc1C)S(=O)(=O)NC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 Cc1ccc(cc1C)[*:1] CCOc1ccc(cc1)C(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[NH2+]1 CC(C)(C)[*:1] C[C@@H]1CC[C@H](C[NH2+]1)NC(=O)O[*:1]
COc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3ccn(C)n3)sc2c1 C1CO[C@H](C1)C[*:1] COc1ccc2nc(sc2c1)N(C(=O)c1ccn(C)n1)[*:1]
COc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3ccn(C)n3)sc2c1 Cn1ccc(n1)[*:1] COc1ccc2nc(sc2c1)N(C[C@H]1CCCO1)C(=O)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(CCCOc2ccc(F)cc2)C1=O Fc1ccc(cc1)O[*:1] CC[C@]1(NC(=O)N(CCC[*:1])C1=O)c1ccccc1
CC[C@@]1(c2ccccc2)NC(=O)N(CCCOc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CCCO[*:1])C1=O)c1ccccc1
CC[C@@]1(c2ccccc2)NC(=O)N(CCCOc2ccc(F)cc2)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CCCOc2ccc(F)cc2)C1=O)[*:1]
Cc1csc([C@H](NC(=O)Nc2cccnc2Cl)C2CC2)n1 Clc1ncccc1[*:1] Cc1csc(n1)[C@H](NC(=O)N[*:1])C1CC1
Cc1csc([C@H](NC(=O)Nc2cccnc2Cl)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](NC(=O)Nc1cccnc1Cl)[*:1]
Cc1csc([C@H](NC(=O)Nc2cccnc2Cl)C2CC2)n1 Cc1csc(n1)[*:1] O=C(Nc1cccnc1Cl)N[C@H](C1CC1)[*:1]
CC1(C)CC[C@H](CNS(N)(=O)=O)c2ccccc21 NS(=O)(=O)NC[*:1] CC1(C)CC[C@H](c2ccccc21)[*:1]
CC1(C)CC[C@H](CNS(N)(=O)=O)c2ccccc21 NS(=O)(=O)N[*:1] CC1(C)CC[C@H](C[*:1])c2ccccc21
COc1cc(C)c(SCc2nnc(-c3ccccc3F)o2)cc1OC Fc1ccccc1[*:1] COc1cc(C)c(cc1OC)SCc1nnc(o1)[*:1]
CCCCN(C(=O)/C=C/c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] Cc1ccc(/C=C/C(=O)N([C@@H]2CCS(=O)(=O)C2)[*:1])cc1
CCCCN(C(=O)/C=C/c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1ccc(/C=C/C(=O)N(C[*:1])[C@@H]2CCS(=O)(=O)C2)cc1
CCCCN(C(=O)/C=C/c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)[*:1] CCCCN(C(=O)C=C[*:1])[C@@H]1CCS(=O)(=O)C1
CNC(=O)Cn1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cn1 CNC(=O)C[*:1] O=C(Cc1c[nH]c2cc(F)ccc12)Nc1cnn(c1)[*:1]
CNC(=O)Cn1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cn1 CNC(=O)[*:1] O=C(Cc1c[nH]c2cc(F)ccc12)Nc1cnn(c1)C[*:1]
O=C(C=C1CCCCC1)N(Cc1cccs1)C1CC1 C1CC1[*:1] O=C(C=C1CCCCC1)N(Cc1cccs1)[*:1]
O=C(C=C1CCCCC1)N(Cc1cccs1)C1CC1 c1csc(c1)[*:1] O=C(C=C1CCCCC1)N(C[*:1])C1CC1
O=C(C=C1CCCCC1)N(Cc1cccs1)C1CC1 c1csc(c1)C[*:1] O=C(C=C1CCCCC1)N(C1CC1)[*:1]
CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)CC1 Brc1ccc(s1)[*:1] CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)Oc1ccc(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1 CC(C)O[*:1] CS(=O)(=O)c1ccc(cc1)CNC(=O)Nc1ccc(cc1)[*:1]
CC(C)Oc1ccc(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1 CC(C)[*:1] CS(=O)(=O)c1ccc(cc1)CNC(=O)Nc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] CC(C)Oc1ccc(cc1)NC(=O)NCc1ccc(cc1)[*:1]
C[C@H]([NH2+]C1CCCC1)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] C[C@H]([NH2+]C1CCCC1)c1ccc(cc1)[*:1]
C[C@H]([NH2+]C1CCCC1)c1ccc(-n2ccnn2)cc1 C1CCC(C1)[*:1] C[C@H]([NH2+][*:1])c1ccc(cc1)-n1ccnn1
CCOC(=O)C[S@@](=O)Cc1cc(C)cc(C)c1 CCOC(=O)[*:1] Cc1cc(C)cc(c1)C[S@](=O)C[*:1]
Fc1ccc([C@H]2C[NH2+]CC[C@@H]2c2cc(Br)cs2)cc1 Brc1csc(c1)[*:1] Fc1ccc(cc1)[C@H]1C[NH2+]CC[C@H]1[*:1]
CO[C@@H](C)c1nc(C)c(C(=O)N(c2ccc(C#N)cc2)C2CC2)s1 N#Cc1ccc(cc1)[*:1] CO[C@@H](C)c1nc(C)c(s1)C(=O)N(C1CC1)[*:1]
CO[C@@H](C)c1nc(C)c(C(=O)N(c2ccc(C#N)cc2)C2CC2)s1 C1CC1[*:1] CO[C@@H](C)c1nc(C)c(s1)C(=O)N(c1ccc(C#N)cc1)[*:1]
COc1cc(Cl)ccc1C(=O)NCCCc1nc(C)no1 Cc1noc(n1)[*:1] COc1cc(Cl)ccc1C(=O)NCCC[*:1]
COc1cc(Cl)ccc1C(=O)NCCCc1nc(C)no1 Cc1noc(C[*:1])n1 COc1cc(Cl)ccc1C(=O)NCC[*:1]
CC(=O)Nc1ccc(CCNC(=O)c2cnn(C(C)C)c2C)cc1 CC(=O)N[*:1] Cc1c(cnn1C(C)C)C(=O)NCCc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(CCNC(=O)c2cnn(C(C)C)c2C)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)CCNC(=O)c1cnn(c1C)[*:1]
Cc1cccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)Sc1nnnn1[*:1]
Cc1cccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(Cl)cc2)c1 Cc1cccc(c1)[*:1] C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)N[*:1]
C=CCn1c(SCc2cc(=O)n3c(C)csc3n2)nnc1C1CCCCC1 C1CCC(CC1)[*:1] C=CCn1c(nnc1[*:1])SCc1cc(=O)n2c(C)csc2n1
C=CCn1c(SCc2cc(=O)n3c(C)csc3n2)nnc1C1CCCCC1 C=CC[*:1] Cc1csc2nc(cc(=O)n12)CSc1nnc(C2CCCCC2)n1[*:1]
CC(C)CC(C)(C)C(=O)NC1CCN(c2ccccc2)CC1 CC(C)[*:1] CC(C)(C[*:1])C(=O)NC1CCN(CC1)c1ccccc1
CC(C)CC(C)(C)C(=O)NC1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)CC(C)(C)C(=O)NC1CCN(CC1)[*:1]
CC(C)CC(C)(C)C(=O)NC1CCN(c2ccccc2)CC1 CC(C)C[*:1] CC(C)(C(=O)NC1CCN(CC1)c1ccccc1)[*:1]
CC(C)CC(C)(C)C(=O)NC1CCN(c2ccccc2)CC1 CC(C)CC(C)(C)[*:1] O=C(NC1CCN(CC1)c1ccccc1)[*:1]
Cc1ccc(C)c(-c2nn(Cc3noc(C(C)C)n3)c(=O)c3ccccc23)c1 CC(C)c1nc(no1)[*:1] Cc1ccc(C)c(c1)-c1nn(C[*:1])c(=O)c2ccccc12
Cc1ccc(C)c(-c2nn(Cc3noc(C(C)C)n3)c(=O)c3ccccc23)c1 CC(C)c1nc(C[*:1])no1 Cc1ccc(C)c(c1)-c1nn(c(=O)c2ccccc12)[*:1]
Cc1ccc(C)c(-c2nn(Cc3noc(C(C)C)n3)c(=O)c3ccccc23)c1 Cc1ccc(C)c(c1)[*:1] CC(C)c1nc(Cn2nc(c3ccccc3c2=O)[*:1])no1
Cc1ccc(C)c(-c2nn(Cc3noc(C(C)C)n3)c(=O)c3ccccc23)c1 CC(C)[*:1] Cc1ccc(C)c(c1)-c1nn(Cc2noc(n2)[*:1])c(=O)c2ccccc12
CCOC(=O)CSC1=N/C(=C/c2ccsc2)C(=O)N1c1ccccc1 CCOC(=O)C[*:1] O=C1/C(=C\c2ccsc2)N=C(S[*:1])N1c1ccccc1
CCOC(=O)CSC1=N/C(=C/c2ccsc2)C(=O)N1c1ccccc1 c1cc(cs1)[*:1] CCOC(=O)CSC1=NC(=C[*:1])C(=O)N1c1ccccc1
CCOC(=O)CSC1=N/C(=C/c2ccsc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)CSC1=N/C(=C/c2ccsc2)C(=O)N1[*:1]
CCOC(=O)CSC1=N/C(=C/c2ccsc2)C(=O)N1c1ccccc1 CCOC(=O)[*:1] O=C1/C(=C\c2ccsc2)N=C(SC[*:1])N1c1ccccc1
CC(C)S(=O)(=O)CC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 CC(C)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)CS(=O)(=O)[*:1]
CC(C)S(=O)(=O)CC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 CC(C)S(=O)(=O)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)C[*:1]
Cc1noc(C)c1C[C@H](C)C(=O)NCc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] Cc1noc(C)c1C[C@H](C)C(=O)NCc1ccc(cc1)[*:1]
Cc1noc(C)c1C[C@H](C)C(=O)NCc1ccc([S@](C)=O)cc1 Cc1noc(C)c1[*:1] C[C@@H](C[*:1])C(=O)NCc1ccc(cc1)[S@](C)=O
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(-n2cnnn2)ccc1F c1nnnn1[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(ccc1F)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(-n2cnnn2)ccc1F Cc1noc(C)c1[*:1] C[C@@H](NC(=O)Nc1cc(ccc1F)-n1cnnn1)[*:1]
O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC(n2cc(C3CCCCC3)nn2)CC1 C1CCC(CC1)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC(CC1)n1cc(nn1)[*:1]
CC[C@@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H](NC(=O)COc1ccc2NC(=O)CCc2c1)[*:1]
C[C@@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1Cc1ccc(F)cc1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1Cc1ccc(F)cc1
C[C@@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1[*:1]
C[C@@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1C[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)N1CCOCC1
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCOC[C@@H]1C1CC1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1Cl)[*:1])N1CCOC[C@@H]1C1CC1
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(Nc1ccc(cc1Cl)[N+](=O)[O-])N1CCOC[C@H]1[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)N1CCC[C@H](O)C1 c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)N1CCC[C@H](O)C1)[*:1]
CC(=O)N1CC[C@H](C(=O)NNC(=S)NCCc2cccs2)C1 c1csc(c1)[*:1] CC(=O)N1CC[C@@H](C1)C(=O)NNC(=S)NCC[*:1]
CC(=O)N1CC[C@H](C(=O)NNC(=S)NCCc2cccs2)C1 c1csc(c1)CC[*:1] CC(=O)N1CC[C@@H](C1)C(=O)NNC(=S)N[*:1]
CC(=O)N1CC[C@H](C(=O)NNC(=S)NCCc2cccs2)C1 c1csc(c1)C[*:1] CC(=O)N1CC[C@@H](C1)C(=O)NNC(=S)NC[*:1]
COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 COc1ccc(cc1)[*:1] O=C(NC(=S)Nc1ccc2nn(nc2c1)-c1ccc(F)cc1)[*:1]
COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NC(=S)Nc1ccc2nn(nc2c1)[*:1]
CCCCOC(=O)c1scnc1C1CC1 C1CC1[*:1] CCCCOC(=O)c1scnc1[*:1]
CCCCOC(=O)c1scnc1C1CC1 CCC[*:1] O=C(OC[*:1])c1scnc1C1CC1
CCCCOC(=O)c1scnc1C1CC1 CCCC[*:1] O=C(O[*:1])c1scnc1C1CC1
N#Cc1cccc(-c2cccc3ccc(N4CCN(C(=O)c5ccco5)CC4)nc23)c1 c1coc(c1)[*:1] N#Cc1cccc(c1)-c1cccc2ccc(nc12)N1CCN(CC1)C(=O)[*:1]
N#Cc1cccc(-c2cccc3ccc(N4CCN(C(=O)c5ccco5)CC4)nc23)c1 N#Cc1cccc(c1)[*:1] O=C(c1ccco1)N1CCN(CC1)c1ccc2cccc(c2n1)[*:1]
CC(C)[NH+]1CCN(C(=O)c2csc3nc(-c4ccc(Cl)cc4)cn23)CC1 Clc1ccc(cc1)[*:1] CC(C)[NH+]1CCN(CC1)C(=O)c1csc2nc(cn12)[*:1]
CC(C)[NH+]1CCN(C(=O)c2csc3nc(-c4ccc(Cl)cc4)cn23)CC1 CC(C)[*:1] O=C(c1csc2nc(cn12)-c1ccc(Cl)cc1)N1CC[NH+](CC1)[*:1]
O=C(Nc1ccccc1OC(F)F)N1C[C@H]2CCCC[C@H]2C1 FC(F)[*:1] O=C(Nc1ccccc1O[*:1])N1C[C@H]2CCCC[C@H]2C1
O=C(Nc1ccccc1OC(F)F)N1C[C@H]2CCCC[C@H]2C1 FC(F)O[*:1] O=C(Nc1ccccc1[*:1])N1C[C@H]2CCCC[C@H]2C1
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+](C)Cc1ccco1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)CC[NH+](C)Cc1ccco1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+](C)Cc1ccco1 c1coc(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+](C)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+](C)Cc1ccco1 c1coc(c1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+](C)[*:1]
CS(=O)(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 Fc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)N1CCN(C[*:1])C(=O)C1=O
CS(=O)(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 Fc1ccc(cc1)C[*:1] CS(=O)(=O)N1CCC(CC1)N1CCN(C(=O)C1=O)[*:1]
CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CCC1 C1CC(C1)[*:1] CN(C(=O)c1cccc(c1)C[NH+](C)C)[*:1]
CCCC(=O)N[C@H](CC)c1c(C)nn(C)c1C CCC[*:1] CC[C@@H](NC(=O)[*:1])c1c(C)nn(C)c1C
COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cccc(Oc4ccccc4)c3)C2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@]1(C)NC(=O)N(NC(=O)c2cccc(c2)O[*:1])C1=O
COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cccc(Oc4ccccc4)c3)C2=O)c1 COc1cccc(c1)[*:1] C[C@@]1(NC(=O)N(NC(=O)c2cccc(c2)Oc2ccccc2)C1=O)[*:1]
COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cccc(Oc4ccccc4)c3)C2=O)c1 c1ccc(cc1)O[*:1] COc1cccc(c1)[C@]1(C)NC(=O)N(NC(=O)c2cccc(c2)[*:1])C1=O
CS[C@@H]1CCC[C@H](NC(=O)NCCc2cccc(C(=O)N(C)C)c2)C1 CN(C)C(=O)[*:1] CS[C@@H]1CCC[C@@H](C1)NC(=O)NCCc1cccc(c1)[*:1]
CCOc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 CCO[*:1] Cc1ccc(cc1C)-n1c(C)nnc1SCC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1c(C)nnc1SCC(=O)N[*:1]
CCOc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] CCOc1ccc(cc1)NC(=O)CSc1nnc(C)n1[*:1]
Cc1cnc(SCC[C@@H]2CCC[C@]2(C#N)NC2CC2)nc1 C1CC1N[*:1] Cc1cnc(nc1)SCC[C@@H]1CCC[C@@]1(C#N)[*:1]
Cc1cnc(SCC[C@@H]2CCC[C@]2(C#N)NC2CC2)nc1 Cc1cnc(nc1)[*:1] N#C[C@@]1(CCC[C@H]1CCS[*:1])NC1CC1
Cc1cnc(SCC[C@@H]2CCC[C@]2(C#N)NC2CC2)nc1 C1CC1[*:1] Cc1cnc(nc1)SCC[C@@H]1CCC[C@]1(C#N)N[*:1]
CCc1nn(C)cc1CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 CCc1nn(C)cc1[*:1] C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)[C@@H](C)NC(=O)N[*:1]
CCc1nc(C(=O)N2CC[C@H](C)C[C@@H]2C)nn1-c1ccccc1Cl Clc1ccccc1[*:1] CCc1nc(nn1[*:1])C(=O)N1CC[C@H](C)C[C@@H]1C
C[C@]12CCC(=O)N1[C@@H](C(=O)NC[C@](C)(O)c1ccsc1)CS2 c1cc(cs1)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)NC[C@](C)(O)[*:1]
Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)C)cc1C CC(C)C[*:1] Cc1ccc(cc1C)S(=O)(=O)N(C)CC(=O)N[*:1]
Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)C)cc1C CC(C)CNC(=O)[*:1] Cc1ccc(cc1C)S(=O)(=O)N(C)C[*:1]
Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC(C)C)cc1C CC(C)[*:1] Cc1ccc(cc1C)S(=O)(=O)N(C)CC(=O)NC[*:1]
COc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CS(=O)(=O)C3)cc1 COc1ccc(cc1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
COc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CS(=O)(=O)C3)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)c1c(noc1C)[*:1]
C[C@@H](NC(=O)CN1CCOc2ccc(Cl)cc21)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](NC(=O)CN1CCOc2ccc(Cl)cc21)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2F)C1 FC(F)(F)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1cc(ccc1F)[*:1]
O=C(NCCc1cccs1)c1n[nH]c2c(Cl)cccc12 c1csc(c1)C[*:1] O=C(NC[*:1])c1n[nH]c2c(Cl)cccc12
O=C(NCCc1cccs1)c1n[nH]c2c(Cl)cccc12 c1csc(c1)[*:1] O=C(NCC[*:1])c1n[nH]c2c(Cl)cccc12
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(=O)C(F)(F)F)CC2 O=C(N[*:1])C(F)(F)F COc1cc2CC[C@@H](c3cc(=O)c(ccc3-c2c(OC)c1OC)OC)[*:1]
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(=O)C(F)(F)F)CC2 FC(F)(F)[*:1] COc1cc2CC[C@@H](NC(=O)[*:1])c3cc(=O)c(ccc3-c2c(OC)c1OC)OC
CC[C@@H](C)NC(=O)N1CCC(Nc2ccccc2OC)CC1 CC[C@@H](C)[*:1] COc1ccccc1NC1CCN(CC1)C(=O)N[*:1]
C[C@H]1CN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])C(=O)CCc1ncc(o1)-c1c(F)cccc1F
C[C@H]1CN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](c2ccccc2)O1 Fc1cccc(F)c1[*:1] C[C@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)CCc1ncc(o1)[*:1]
COc1ccc2oc([C@@H](C)NC(=O)[C@@H](C)c3ccsc3)c(C)c2c1 c1cc(cs1)[*:1] COc1ccc2oc(c(C)c2c1)[C@@H](C)NC(=O)[C@@H](C)[*:1]
COc1ccc2oc([C@@H](C)NC(=O)[C@@H](C)c3ccsc3)c(C)c2c1 C[C@@H](c1ccsc1)[*:1] COc1ccc2oc(c(C)c2c1)[C@@H](C)NC(=O)[*:1]
C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)[*:1]
CCc1nnc(-c2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H](CC)C3)cc2)o1 CCc1nnc(o1)[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](O)C1)c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](O)C1)[*:1]
CCOc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1 CCO[*:1] Oc1ccc(-c2csc(n2)Nc2ccc(cc2)[*:1])c(O)c1
Cn1cccc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 Cn1cccc1[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCCCC1
O=C(CN1CCN(C(=O)c2ccccn2)CC1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CN1CCN(CC1)C(=O)c1ccccn1)N[*:1]
O=C(CN1CCN(C(=O)c2ccccn2)CC1)Nc1cccc(F)c1 c1ccc(nc1)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1cccc(F)c1
C[C@H](CO)CSc1nc(Cl)ncc1F C[C@H](CO)[*:1] Fc1cnc(Cl)nc1SC[*:1]
COC[C@@H](C)Oc1ncnc(OC)c1N COC[*:1] COc1ncnc(O[C@H](C)[*:1])c1N
COC[C@@H](C)Oc1ncnc(OC)c1N COC[C@@H](C)[*:1] COc1ncnc(O[*:1])c1N
CC(=O)c1cccc(OC(=O)[C@H]2Cc3ccccc3S2)c1 CC(=O)[*:1] O=C(Oc1cccc(c1)[*:1])[C@H]1Cc2ccccc2S1
Cc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)C(C)(C)C)nc12 c1cncc(c1)[*:1] Cc1cc(Cl)cc2sc(nc12)N(C[*:1])C(=O)C(C)(C)C
Cc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)C(C)(C)C)nc12 CC(C)(C)[*:1] Cc1cc(Cl)cc2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
Cc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)C(C)(C)C)nc12 c1cncc(c1)C[*:1] Cc1cc(Cl)cc2sc(nc12)N(C(=O)C(C)(C)C)[*:1]
C[C@H](OC(=O)C(C)(C)F)c1nc2cc(Cl)ccc2n1C CC(C)(F)[*:1] C[C@H](OC(=O)[*:1])c1nc2cc(Cl)ccc2n1C
CCOC(=O)[C@H](F)[C@@H](C)N[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CCOC(=O)[C@H](F)[C@@H](C)N[*:1]
CCOC(=O)[C@H](F)[C@@H](C)N[C@@H]1CCOC1 CCOC(=O)[*:1] C[C@@H](N[C@@H]1CCOC1)[C@@H](F)[*:1]
CC[C@@H]1CCC[C@](CCCCCO)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H]1CCC[C@](CCCCCO)(C1)[*:1]
CC[C@@H]1CCC[C@](CCCCCO)(C(=O)[O-])C1 OCCC[*:1] CC[C@@H]1CCC[C@@](CC[*:1])(C1)C(=O)[O-]
CC[C@@H]1CCC[C@](CCCCCO)(C(=O)[O-])C1 OCCCC[*:1] CC[C@@H]1CCC[C@](C1)(C[*:1])C(=O)[O-]
CC[C@@H]1CCC[C@](CCCCCO)(C(=O)[O-])C1 OCC[*:1] CC[C@@H]1CCC[C@@](CCC[*:1])(C1)C(=O)[O-]
CN(C)C(=O)CCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 CN(C)C(=O)[*:1] CC(C)(C)c1noc(n1)-c1ccccc1C(=O)NCC[*:1]
CN(C)C(=O)CCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 CN(C)C(=O)CC[*:1] CC(C)(C)c1noc(n1)-c1ccccc1C(=O)N[*:1]
CN(C)C(=O)CCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] CN(C)C(=O)CCNC(=O)c1ccccc1-c1nc(no1)[*:1]
CN(C)C(=O)CCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 CN(C)C(=O)C[*:1] CC(C)(C)c1noc(n1)-c1ccccc1C(=O)NC[*:1]
CCOc1nnc(CS[C@@H](C)[C@H](C)O)s1 C[C@H](O)[*:1] CCOc1nnc(CS[C@@H](C)[*:1])s1
CCOc1nnc(CS[C@@H](C)[C@H](C)O)s1 CCO[*:1] C[C@H](O)[C@H](C)SCc1nnc(s1)[*:1]
Cc1cc(C)cc(C(=O)NC[C@@](O)(c2cccs2)C(F)(F)F)c1 c1csc(c1)[*:1] Cc1cc(C)cc(c1)C(=O)NC[C@@](O)(C(F)(F)F)[*:1]
Cc1cc(C)cc(C(=O)NC[C@@](O)(c2cccs2)C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(C)cc(c1)C(=O)NC[C@@](O)(c1cccs1)[*:1]
C[C@H](O)[C@@H]1CCc2cccnc21 C[C@H](O)[*:1] c1cnc2c(c1)CC[C@H]2[*:1]
O=C(CC1CCCCC1)Nc1ncn(Cc2cccnc2)n1 c1cncc(c1)C[*:1] O=C(CC1CCCCC1)Nc1ncn(n1)[*:1]
O=C(CC1CCCCC1)Nc1ncn(Cc2cccnc2)n1 C1CCC(CC1)[*:1] O=C(C[*:1])Nc1ncn(Cc2cccnc2)n1
O=C(CC1CCCCC1)Nc1ncn(Cc2cccnc2)n1 C1CCC(CC1)C[*:1] O=C(Nc1ncn(Cc2cccnc2)n1)[*:1]
O=C(CC1CCCCC1)Nc1ncn(Cc2cccnc2)n1 c1cncc(c1)[*:1] O=C(CC1CCCCC1)Nc1ncn(C[*:1])n1
CC(C)[C@@H](CO)NC(=O)/C=C/c1ccc(Br)cc1 CC(C)[C@@H](CO)[*:1] O=C(/C=C/c1ccc(Br)cc1)N[*:1]
CC(C)[C@@H](CO)NC(=O)/C=C/c1ccc(Br)cc1 CC(C)[*:1] O=C(/C=C/c1ccc(Br)cc1)N[C@H](CO)[*:1]
CCc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CC[NH+](C)CC1)[*:1]
CCc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)[*:1]
Cc1cc(C)cc(N/C(=N\C(=O)c2cccc(Br)c2)[N-]Cc2c(C)nn(C)c2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1nn(C)c(C)c1C[N-]/C(=N/C(=O)c1cccc(Br)c1)N[*:1]
Cc1cc(C)cc(N/C(=N\C(=O)c2cccc(Br)c2)[N-]Cc2c(C)nn(C)c2C)c1 Cc1nn(C)c(C)c1[*:1] Cc1cc(C)cc(c1)N/C(=N\C(=O)c1cccc(Br)c1)[N-]C[*:1]
Cc1cc(C)cc(N/C(=N\C(=O)c2cccc(Br)c2)[N-]Cc2c(C)nn(C)c2C)c1 Brc1cccc(c1)[*:1] Cc1cc(C)cc(c1)N/C(=N\C(=O)[*:1])[N-]Cc1c(C)nn(C)c1C
Cc1cccc([C@H]2CCCN2CN2C(=O)C(=O)N(CC(C)C)C2=O)c1 Cc1cccc(c1)[*:1] CC(C)CN1C(=O)C(=O)N(CN2CCC[C@@H]2[*:1])C1=O
Cc1cccc([C@H]2CCCN2CN2C(=O)C(=O)N(CC(C)C)C2=O)c1 CC(C)C[*:1] Cc1cccc(c1)[C@H]1CCCN1CN1C(=O)C(=O)N(C1=O)[*:1]
Cc1cccc([C@H]2CCCN2CN2C(=O)C(=O)N(CC(C)C)C2=O)c1 CC(C)[*:1] Cc1cccc(c1)[C@H]1CCCN1CN1C(=O)C(=O)N(C[*:1])C1=O
CC1=C(C2[NH+]=c3ccccc3=[NH+]2)[C@@H](NC(=O)C2CCCCC2)N(C[C@@H]2CCCO2)[C@@H]1C C1CCC(CC1)[*:1] CC1=C(C2[NH+]=c3ccccc3=[NH+]2)[C@@H](NC(=O)[*:1])N(C[C@@H]2CCCO2)[C@@H]1C
CC1=C(C2[NH+]=c3ccccc3=[NH+]2)[C@@H](NC(=O)C2CCCCC2)N(C[C@@H]2CCCO2)[C@@H]1C C1CO[C@@H](C1)C[*:1] CC1=C(C2[NH+]=c3ccccc3=[NH+]2)[C@@H](NC(=O)C2CCCCC2)N([C@@H]1C)[*:1]
CC1=C(C2[NH+]=c3ccccc3=[NH+]2)[C@@H](NC(=O)C2CCCCC2)N(C[C@@H]2CCCO2)[C@@H]1C O=C(N[*:1])C1CCCCC1 CC1=C(C2[NH+]=c3ccccc3=[NH+]2)[C@@H](N(C[C@@H]2CCCO2)[C@@H]1C)[*:1]
CC1=C(C2[NH+]=c3ccccc3=[NH+]2)[C@@H](NC(=O)C2CCCCC2)N(C[C@@H]2CCCO2)[C@@H]1C C1CO[C@@H](C1)[*:1] CC1=C(C2[NH+]=c3ccccc3=[NH+]2)[C@@H](NC(=O)C2CCCCC2)N(C[*:1])[C@@H]1C
Cc1cccc(/C=N/NC(=O)COc2ccc(C)cc2C)c1 Cc1cccc(c1)[*:1] Cc1ccc(OCC(=O)NN=C[*:1])c(C)c1
COc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1OCc1c(C)noc1C c1cc2CCCc2cc1[*:1] COc1cc(ccc1OCc1c(C)noc1C)C(=O)N[*:1]
COc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1OCc1c(C)noc1C Cc1noc(C)c1CO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1ccc2CCCc2c1
COc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1OCc1c(C)noc1C Cc1noc(C)c1[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1ccc2CCCc2c1
COc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1OCc1c(C)noc1C Cc1noc(C)c1C[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1ccc2CCCc2c1
Cc1ccc([C@H](CNc2cnn(-c3ccccc3)c(=O)c2Cl)N2CCOCC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](CNc1cnn(c(=O)c1Cl)[*:1])N1CCOCC1
Cc1ccc([C@H](CNc2cnn(-c3ccccc3)c(=O)c2Cl)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=c1c(Cl)c(cnn1-c1ccccc1)NC[C@H](N1CCOCC1)[*:1]
Cc1ccc([C@H](CNc2cnn(-c3ccccc3)c(=O)c2Cl)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)[*:1]
CC1(C)CN(CCNS(=O)(=O)c2ccccc2)CCS1 c1ccc(cc1)[*:1] CC1(C)CN(CCNS(=O)(=O)[*:1])CCS1
Cc1ccc(N2C[C@H](C(=O)N3CCN(c4nccn4-c4cccc(Cl)c4)CC3)CC2=O)cc1C Clc1cccc(c1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)c1nccn1[*:1]
Cc1ccc(N2C[C@H](C(=O)N3CCN(c4nccn4-c4cccc(Cl)c4)CC3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1nccn1-c1cccc(Cl)c1
Cc1nnc(-c2ccc(S(=O)(=O)NCc3ccccc3Cl)o2)o1 Clc1ccccc1[*:1] Cc1nnc(o1)-c1ccc(o1)S(=O)(=O)NC[*:1]
Cc1nnc(-c2ccc(S(=O)(=O)NCc3ccccc3Cl)o2)o1 Cc1nnc(o1)[*:1] O=S(=O)(NCc1ccccc1Cl)c1ccc(o1)[*:1]
CCc1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C(C)C)C1)C2 CC(C)[*:1] CCc1nnc2CN(CCn12)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[NH+](C)[C@H](CNC(=O)CCc1c[nH]c2ccccc12)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@H](CNC(=O)CCc1c[nH]c2ccccc12)[*:1]
C[C@@H]1COC2(CCN(C(=O)[C@@H]3CCO[C@@H]3C)CC2)O1 C[C@H]1OCC[C@H]1[*:1] C[C@@H]1COC2(CCN(CC2)C(=O)[*:1])O1
CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 CCc1cccc(C)c1[*:1] CC(=O)Nc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 CC(=O)N[*:1] CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H]1COc2ccccc2O1)[*:1]
CCN(C(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C)cc1C O=C1CCCN1C[*:1] CCN(C(=O)c1ccc(cc1)[*:1])c1ccc(C)cc1C
CCN(C(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C)cc1C O=C1CCCN1[*:1] CCN(C(=O)c1ccc(cc1)C[*:1])c1ccc(C)cc1C
CCN(C(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCN(C(=O)c1ccc(cc1)CN1CCCC1=O)[*:1]
O=S(=O)(c1cc(F)c(F)cc1F)N1CCN(c2nccc(-c3ccco3)n2)CC1 Fc1cc(F)c(cc1F)[*:1] O=S(=O)(N1CCN(CC1)c1nccc(n1)-c1ccco1)[*:1]
O=S(=O)(c1cc(F)c(F)cc1F)N1CCN(c2nccc(-c3ccco3)n2)CC1 c1coc(c1)[*:1] O=S(=O)(c1cc(F)c(F)cc1F)N1CCN(CC1)c1nccc(n1)[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)c1ccncc1 c1ccc2c(c1)ncn2[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(nc1)[*:1])c1ccncc1
C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(nc1)-n1cnc2ccccc21)[*:1]
COc1ccc2c(c1)[C@H]([NH3+])[C@@H](N(C)c1ccccc1)CC2 c1ccc(cc1)[*:1] COc1ccc2CC[C@@H]([C@@H]([NH3+])c2c1)N(C)[*:1]
Cc1cc(Oc2ncnc(N3CCCC3)c2N)ccc1Cl C1CCN(C1)[*:1] Cc1cc(ccc1Cl)Oc1ncnc(c1N)[*:1]
CCc1nc(-c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c(C)s2)no1 CCc1nc(no1)[*:1] Cc1sc(cc1S(=O)(=O)N1c2ccccc2C[C@H]1C)[*:1]
CC(C)(C)OC(=O)[C@H]1[NH2+]C[C@@H]2CCC[C@@H]12 CC(C)(C)[*:1] O=C(O[*:1])[C@H]1[NH2+]C[C@@H]2CCC[C@@H]12
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 CC(C)C[*:1] CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 CC(C)[*:1] CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)NC[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 CC[C@@H](C)NC(=O)[*:1] CC(C)CNC(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 CC[C@@H](C)[*:1] CC(C)CNC(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)C(=O)N[*:1]
O=C(Nc1cccc2ccccc12)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 c1ccc2c(cccc2c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
O=C(Nc1cccc2ccccc12)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 O=C1CCCN1[*:1] O=C(Nc1cccc2ccccc12)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)CCN1CCOCC1 C1CN(CCO1)[*:1] Cc1nn(cc1C(=O)N(C)CC[*:1])-c1ccc(Cl)cc1
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)CCN1CCOCC1 Clc1ccc(cc1)[*:1] Cc1nn(cc1C(=O)N(C)CCN1CCOCC1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)CCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1nn(cc1C(=O)N(C)C[*:1])-c1ccc(Cl)cc1
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)CCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1nn(cc1C(=O)N(C)[*:1])-c1ccc(Cl)cc1
C/C(=N/OCc1ccc(F)cc1Cl)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC(=NOCc1ccc(F)cc1Cl)[*:1]
CCOc1cc(CO)cc(Br)c1OCC(C)(C)C(=O)[O-] O=C([O-])[*:1] CCOc1cc(cc(Br)c1OCC(C)(C)[*:1])CO
CCOc1cc(CO)cc(Br)c1OCC(C)(C)C(=O)[O-] CCO[*:1] CC(C)(COc1c(Br)cc(cc1[*:1])CO)C(=O)[O-]
CCOc1cc(CO)cc(Br)c1OCC(C)(C)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] CCOc1cc(cc(Br)c1OC[*:1])CO
Cn1cc([C@@H](O)C[NH2+][C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)cn1 Cn1cc(cn1)[*:1] CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1[NH2+]C[C@H](O)[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(CNC(=O)NC(C)C)cc1 CC(C)NC(=O)N[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)C[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(CNC(=O)NC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)CNC(=O)N[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(CNC(=O)NC(C)C)cc1 CC(C)NC(=O)NC[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(CNC(=O)NC(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)CNC(=O)NC(C)C)[*:1]
C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(-n3cccc3)nc2)CC1 c1ccn(c1)[*:1] C[NH+](C)CCNC(=O)C1CCN(CC1)C(=O)c1ccc(nc1)[*:1]
CNc1ccc(/C=C/C(=O)c2ccc(SC)c(OC)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(/C=C/C(=O)c2ccc(SC)c(c2)OC)cc1[*:1]
Cc1ccc(Cc2nc(C(=O)O[C@H](C)C(N)=O)cs2)cc1 C[C@H](C(N)=O)[*:1] Cc1ccc(cc1)Cc1nc(cs1)C(=O)O[*:1]
Cc1ccc(Cc2nc(C(=O)O[C@H](C)C(N)=O)cs2)cc1 NC(=O)[*:1] Cc1ccc(cc1)Cc1nc(cs1)C(=O)O[C@H](C)[*:1]
Cc1ccc(Cc2nc(C(=O)O[C@H](C)C(N)=O)cs2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](OC(=O)c1csc(C[*:1])n1)C(N)=O
O=C(COc1ccccc1)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccccc1NC(=O)c1ccc(cc1)C(F)(F)F
O=C(COc1ccccc1)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(COc1ccccc1)Nc1ccccc1NC(=O)c1ccc(cc1)[*:1]
O=C(COc1ccccc1)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 c1ccc(cc1)OC[*:1] O=C(Nc1ccccc1NC(=O)[*:1])c1ccc(cc1)C(F)(F)F
O=C(COc1ccccc1)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccccc1NC(=O)c1ccc(cc1)C(F)(F)F
O=C(COc1ccccc1)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] O=C(COc1ccccc1)Nc1ccccc1NC(=O)[*:1]
O=C(CCc1ccsc1)NN1Cc2ccccc2C1 c1cc(cs1)[*:1] O=C(CC[*:1])NN1Cc2ccccc2C1
O=C(CCc1ccsc1)NN1Cc2ccccc2C1 c1cc(cs1)C[*:1] O=C(C[*:1])NN1Cc2ccccc2C1
Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H](O)C1CCOCC1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C[NH2+]C[C@@H](O)C1CCOCC1
Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H](O)C1CCOCC1 C1CC(CCO1)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H](O)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H](O)C1CCOCC1 c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C[NH2+]C[C@@H](O)C1CCOCC1)[*:1]
C[C@H](C(=O)N(C)Cc1nccn1C(F)F)n1cccn1 FC(F)[*:1] C[C@H](C(=O)N(C)Cc1nccn1[*:1])n1cccn1
C[C@H](C(=O)N(C)Cc1nccn1C(F)F)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)N(C)Cc1nccn1C(F)F)[*:1]
CCCc1cc(NC(=O)NCc2ccc(OC)c(O)c2)n(C)n1 CCC[*:1] COc1ccc(cc1O)CNC(=O)Nc1cc(nn1C)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](n2cnc(C[NH3+])n2)C1 CS(=O)(=O)[*:1] [NH3+]Cc1ncn(n1)[C@H]1CCC[C@@H](C1)[*:1]
CCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1nnc(C2CC2)n1C Cn1c(nnc1[*:1])C1CC1 CCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)C[*:1]
CCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1nnc(C2CC2)n1C c1ccc(cc1)[*:1] CCNC(=O)NC(=O)[C@H](N(C)Cc1nnc(C2CC2)n1C)[*:1]
CCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1nnc(C2CC2)n1C C1CC1[*:1] CCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1nnc(n1C)[*:1]
CCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1nnc(C2CC2)n1C CCNC(=O)NC(=O)[*:1] CN(Cc1nnc(C2CC2)n1C)[C@@H](c1ccccc1)[*:1]
C[C@H](NC(=O)CCSc1ccccc1)c1ccc2c(c1)NC(=O)CO2 c1ccc(cc1)SC[*:1] C[C@H](NC(=O)C[*:1])c1ccc2OCC(=O)Nc2c1
C[C@H](NC(=O)CCSc1ccccc1)c1ccc2c(c1)NC(=O)CO2 c1ccc(cc1)[*:1] C[C@H](NC(=O)CCS[*:1])c1ccc2OCC(=O)Nc2c1
C[C@H](NC(=O)CCSc1ccccc1)c1ccc2c(c1)NC(=O)CO2 c1ccc(cc1)S[*:1] C[C@H](NC(=O)CC[*:1])c1ccc2OCC(=O)Nc2c1
CC[C@@H]1CN(CC(=O)N2CCC(C(N)=O)CC2)c2ccccc2O1 NC(=O)[*:1] CC[C@@H]1CN(CC(=O)N2CCC(CC2)[*:1])c2ccccc2O1
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(OC2CCCC2)c(OC)c1 COC(=O)[*:1] COc1cc(cc(Cl)c1OC1CCCC1)[C@H]1NC(=O)NC(C)=C1[*:1]
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(OC2CCCC2)c(OC)c1 C1CCC(C1)O[*:1] COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(c(c1)OC)[*:1]
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(OC2CCCC2)c(OC)c1 C1CCC(C1)[*:1] COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(O[*:1])c(c1)OC
CN(C)C(=O)Sc1ccc(NC(=O)C[C@@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)Sc1ccc(cc1)NC(=O)C[C@@H](O)[*:1]
CN(C)C(=O)Sc1ccc(NC(=O)C[C@@H](O)c2ccccc2)cc1 O[C@@H](c1ccccc1)[*:1] CN(C)C(=O)Sc1ccc(cc1)NC(=O)C[*:1]
CN(C)C(=O)Sc1ccc(NC(=O)C[C@@H](O)c2ccccc2)cc1 CN(C)C(=O)S[*:1] O=C(C[C@@H](O)c1ccccc1)Nc1ccc(cc1)[*:1]
O=C(CCc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 c1cc2OCOc2cc1[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
O=C(CCc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] O=C(CCc1ccc2OCOc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccc2c(c1)nc(C)n2C
CC(=O)Nc1ccc(C[NH2+]Cc2cccc(Cn3nc(C)cc3C)c2)cc1 Cc1cc(C)n(C[*:1])n1 CC(=O)Nc1ccc(cc1)C[NH2+]Cc1cccc(c1)[*:1]
CC(=O)Nc1ccc(C[NH2+]Cc2cccc(Cn3nc(C)cc3C)c2)cc1 Cc1cc(C)n(n1)[*:1] CC(=O)Nc1ccc(cc1)C[NH2+]Cc1cccc(c1)C[*:1]
CC(=O)Nc1ccc(C[NH2+]Cc2cccc(Cn3nc(C)cc3C)c2)cc1 CC(=O)N[*:1] Cc1cc(C)n(Cc2cccc(c2)C[NH2+]Cc2ccc(cc2)[*:1])n1
CC(=O)Nc1cccc(NC(=O)N[C@H](C)C(C)(C)c2ccccc2)c1 CC(=O)N[*:1] C[C@@H](NC(=O)Nc1cccc(c1)[*:1])C(C)(C)c1ccccc1
CC(=O)Nc1cccc(NC(=O)N[C@H](C)C(C)(C)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)N[C@H](C)C(C)(C)[*:1]
Cc1ccc2nc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])sc2c1 O=C([O-])[*:1] Cc1ccc2nc(NC(=O)[C@H]3CC=CC[C@H]3[*:1])sc2c1
C#CCN(CC#C)C(=O)C[C@@H](C)c1ccc(CC)cc1 C#CC[*:1] C#CCN(C(=O)C[C@@H](C)c1ccc(cc1)CC)[*:1]
CCCC(=O)N[C@@H]1CCCN(c2cccc(C(=O)OC)n2)C1 CCC[*:1] COC(=O)c1cccc(n1)N1CCC[C@H](C1)NC(=O)[*:1]
CCCC(=O)N[C@@H]1CCCN(c2cccc(C(=O)OC)n2)C1 COC(=O)[*:1] CCCC(=O)N[C@@H]1CCCN(C1)c1cccc(n1)[*:1]
CCCC(=O)N[C@@H]1CCCN(c2cccc(C(=O)OC)n2)C1 CCCC(=O)N[*:1] COC(=O)c1cccc(n1)N1CCC[C@H](C1)[*:1]
CCC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Sc2ccc(OC)cc2)C1 O=C([O-])[*:1] CCC[NH2+][C@]1(CC[C@H](C1)Sc1ccc(cc1)OC)[*:1]
CCC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Sc2ccc(OC)cc2)C1 CCC[*:1] COc1ccc(cc1)S[C@@H]1CC[C@@](C1)([NH2+][*:1])C(=O)[O-]
C[C@H](CCS)CCOc1cc(F)c([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] C[C@H](CCS)CCOc1cc(F)c(cc1F)[*:1]
C[C@H](CCS)CCOc1cc(F)c([N+](=O)[O-])cc1F SCC[*:1] C[C@H](CCOc1cc(F)c(cc1F)[N+](=O)[O-])[*:1]
C[C@H](CCS)CCOc1cc(F)c([N+](=O)[O-])cc1F C[C@H](CCS)C[*:1] O=[N+]([O-])c1cc(F)c(cc1F)OC[*:1]
Cn1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)N2CCC(CC2)C[NH+]2CCCC2)c(n1)[*:1]
CC(C)Nc1ccc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)cn1 c1coc(c1)[*:1] CC(C)Nc1ccc(cn1)C(=O)N(C[C@H]1CCCO1)C[*:1]
CC(C)Nc1ccc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)cn1 C1CO[C@H](C1)C[*:1] CC(C)Nc1ccc(cn1)C(=O)N(Cc1ccco1)[*:1]
CC(C)Nc1ccc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)cn1 c1coc(c1)C[*:1] CC(C)Nc1ccc(cn1)C(=O)N(C[C@H]1CCCO1)[*:1]
CC(C)Nc1ccc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)cn1 CC(C)[*:1] O=C(c1ccc(nc1)N[*:1])N(Cc1ccco1)C[C@H]1CCCO1
CC(C)Nc1ccc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)cn1 C1CO[C@H](C1)[*:1] CC(C)Nc1ccc(cn1)C(=O)N(Cc1ccco1)C[*:1]
CC(C)Nc1ccc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)cn1 CC(C)N[*:1] O=C(c1ccc(nc1)[*:1])N(Cc1ccco1)C[C@H]1CCCO1
C[C@H](Sc1nccn1C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 Cn1ccnc1[*:1] C[C@H](S[*:1])C(=O)NC(=O)Nc1ccc2OCCOc2c1
C[C@H](Sc1nccn1C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 Cn1ccnc1S[*:1] C[C@H](C(=O)NC(=O)Nc1ccc2OCCOc2c1)[*:1]
CS(=O)(=O)c1cccc(NC2CCCCCC2)c1[N+](=O)[O-] CS(=O)(=O)[*:1] O=[N+]([O-])c1c(cccc1[*:1])NC1CCCCCC1
CS(=O)(=O)c1cccc(NC2CCCCCC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CS(=O)(=O)c1cccc(NC2CCCCCC2)c1[*:1]
CS(=O)(=O)c1cccc(NC2CCCCCC2)c1[N+](=O)[O-] C1CCCC(CC1)[*:1] CS(=O)(=O)c1cccc(N[*:1])c1[N+](=O)[O-]
O=C(Cc1cccc(O)c1)N1CCC[C@H](c2nc3ccccc3o2)C1 Oc1cccc(c1)C[*:1] O=C(N1CCC[C@@H](C1)c1nc2ccccc2o1)[*:1]
O=C(Cc1cccc(O)c1)N1CCC[C@H](c2nc3ccccc3o2)C1 Oc1cccc(c1)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1nc2ccccc2o1
CCC[NH2+][C@H](c1cc(OC)cc(OC)c1)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] CCC[NH2+][C@H](c1cc(cc(c1)OC)OC)[*:1]
CCC[NH2+][C@H](c1cc(OC)cc(OC)c1)[C@H]1CCOC1 CCC[*:1] COc1cc(cc(c1)[C@@H]([NH2+][*:1])[C@H]1CCOC1)OC
Cc1c(C(=O)OCc2nncn2C2CC2)sc2ccccc12 C1CC1[*:1] Cc1c(sc2ccccc12)C(=O)OCc1nncn1[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cn(Cc3cccnc3)nn2)CC1 c1cncc(c1)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)c1cn(C[*:1])nn1
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cn(Cc3cccnc3)nn2)CC1 c1cncc(c1)C[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)c1cn(nn1)[*:1]
COc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1O CC(C)[*:1] COc1ccc(cc1O)C(=O)N[C@@H](C(=O)[O-])[*:1]
COc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1O O=C([O-])[*:1] COc1ccc(cc1O)C(=O)N[C@@H](C(C)C)[*:1]
CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC)cc1 COCCC[*:1] CCc1ccc(cc1)[C@@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC)cc1 COC[*:1] CCc1ccc(cc1)[C@@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1CC[*:1]
CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC)cc1 COCC[*:1] CCc1ccc(cc1)[C@@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1C[*:1]
CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC)cc1 CCc1ccc(cc1)[*:1] COCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1[*:1]
Cc1cc(C)c(O)c(C(=O)N(CCO)Cc2ccsc2)c1 c1cc(cs1)[*:1] Cc1cc(C)c(O)c(c1)C(=O)N(CCO)C[*:1]
Cc1cc(C)c(O)c(C(=O)N(CCO)Cc2ccsc2)c1 c1cc(cs1)C[*:1] Cc1cc(C)c(O)c(c1)C(=O)N(CCO)[*:1]
Cc1cc(C)c(O)c(C(=O)N(CCO)Cc2ccsc2)c1 OCC[*:1] Cc1cc(C)c(O)c(c1)C(=O)N(Cc1ccsc1)[*:1]
C[C@@H](C#N)CNC(=O)N1CCCCC1 C[C@@H](C#N)[*:1] O=C(NC[*:1])N1CCCCC1
CCCn1ncc(C(=O)N[C@H](C)c2ccc3c(c2)CCCO3)c1C CCC[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H](C)c1ccc2OCCCc2c1
CC(C)OCCCNC(=O)c1ccc2c(c1)N(C)C(=O)[C@@H]1CCCCN21 CC(C)O[*:1] CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)C(=O)NCCC[*:1]
CC(C)OCCCNC(=O)c1ccc2c(c1)N(C)C(=O)[C@@H]1CCCCN21 CC(C)[*:1] CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)C(=O)NCCCO[*:1]
CC(C)OCCCNC(=O)c1ccc2c(c1)N(C)C(=O)[C@@H]1CCCCN21 CC(C)OCCC[*:1] CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)C(=O)N[*:1]
CC(C)OCCCNC(=O)c1ccc2c(c1)N(C)C(=O)[C@@H]1CCCCN21 CC(C)OCC[*:1] CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)C(=O)NC[*:1]
CC(C)OCCCNC(=O)c1ccc2c(c1)N(C)C(=O)[C@@H]1CCCCN21 CC(C)OC[*:1] CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)C(=O)NCC[*:1]
CNS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 CNS(=O)(=O)[*:1] C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(cc2)[*:1])C1
O=C(Nc1ccc(F)c(Br)c1)c1scnc1C1CC1 C1CC1[*:1] O=C(Nc1ccc(F)c(Br)c1)c1scnc1[*:1]
Cc1ccc(NC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 Cc1ccc(s1)[*:1] O=C(N[*:1])N1CC[C@@H](C1)Nc1ccc(cn1)[N+](=O)[O-]
Cc1ccc(NC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)N2CC[C@@H](C2)Nc2ccc(cn2)[*:1])s1
CNc1ncnc(NC[C@H]2CCCO2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ncnc(NC[C@H]2CCCO2)c1[*:1]
CNc1ncnc(NC[C@H]2CCCO2)c1[N+](=O)[O-] C1CO[C@H](C1)C[*:1] CNc1ncnc(N[*:1])c1[N+](=O)[O-]
CNc1ncnc(NC[C@H]2CCCO2)c1[N+](=O)[O-] C1CO[C@H](C1)[*:1] CNc1ncnc(NC[*:1])c1[N+](=O)[O-]
CC[C@H](C)[C@@H]1C(=O)N[C@H](C)C(=O)N1[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)N1C(=O)[C@@H](C)NC(=O)[C@H]1[*:1]
CC[C@H](C)[C@@H]1C(=O)N[C@H](C)C(=O)N1[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)[C@@H]1C(=O)N[C@H](C)C(=O)N1[*:1]
CC(C)c1cc(Br)cc(C(N)=O)c1Cl CC(C)[*:1] NC(=O)c1cc(Br)cc(c1Cl)[*:1]
CC(C)c1cc(Br)cc(C(N)=O)c1Cl NC(=O)[*:1] CC(C)c1cc(Br)cc(c1Cl)[*:1]
CCCN(CC#N)C(=O)[C@H](C)c1ccc(Br)s1 CCC[*:1] C[C@@H](C(=O)N(CC#N)[*:1])c1ccc(Br)s1
CCCN(CC#N)C(=O)[C@H](C)c1ccc(Br)s1 N#CC[*:1] CCCN(C(=O)[C@H](C)c1ccc(Br)s1)[*:1]
Cc1ccccc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C C1CC1[*:1] Cc1ccccc1C(=O)Nc1cccc(c1C)S(=O)(=O)N[*:1]
Cc1ccccc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C O=S(=O)(NC1CC1)[*:1] Cc1ccccc1C(=O)Nc1cccc(c1C)[*:1]
Cc1ccccc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C Cc1ccccc1[*:1] Cc1c(cccc1S(=O)(=O)NC1CC1)NC(=O)[*:1]
COc1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)ccc1OCc1ccncc1 c1cc(ccn1)CO[*:1] COc1cc(ccc1[*:1])C[NH2+][C@@H]1CCC[C@H](C)C1
COc1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)ccc1OCc1ccncc1 c1cc(ccn1)C[*:1] COc1cc(ccc1O[*:1])C[NH2+][C@@H]1CCC[C@H](C)C1
COc1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)ccc1OCc1ccncc1 c1cc(ccn1)[*:1] COc1cc(ccc1OC[*:1])C[NH2+][C@@H]1CCC[C@H](C)C1
CC(C)(C)c1noc2ncc(C(=O)[O-])cc12 O=C([O-])[*:1] CC(C)(C)c1noc2ncc(cc12)[*:1]
CC(C)(C)c1noc2ncc(C(=O)[O-])cc12 CC(C)(C)[*:1] O=C([O-])c1cnc2onc(c2c1)[*:1]
CCCOc1ccc(/C=C/C(=O)Nc2cn[nH]c2)cc1OC CCCO[*:1] COc1cc(/C=C/C(=O)Nc2cn[nH]c2)ccc1[*:1]
CCCOc1ccc(/C=C/C(=O)Nc2cn[nH]c2)cc1OC c1n[nH]cc1[*:1] CCCOc1ccc(/C=C/C(=O)N[*:1])cc1OC
CCCOc1ccc(/C=C/C(=O)Nc2cn[nH]c2)cc1OC CCC[*:1] COc1cc(/C=C/C(=O)Nc2cn[nH]c2)ccc1O[*:1]
Cc1ccc(-c2ccc(CN3CCO[C@H](C(N)=O)C3)s2)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1ccc(CN2CCO[C@H](C2)[*:1])s1
Cc1ccc(-c2ccc(CN3CCO[C@H](C(N)=O)C3)s2)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@@H]1CN(CCO1)Cc1ccc(s1)[*:1]
NC(=O)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1)C(=O)[O-] c1ccc(cc1)[*:1] NC(=O)C[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H]1CCC[NH2+]1)[*:1])C(=O)[O-]
NC(=O)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1)C(=O)[O-] NC(=O)C[*:1] O=C([O-])[C@@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H]1CCC[NH2+]1)c1ccccc1)[*:1]
NC(=O)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1)C(=O)[O-] O=C([O-])[*:1] NC(=O)C[C@H](NC(=O)C1(CCN(CC1)C(=O)[C@@H]1CCC[NH2+]1)c1ccccc1)[*:1]
NC(=O)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1)C(=O)[O-] NC(=O)[*:1] O=C([O-])[C@H](C[*:1])NC(=O)C1(CCN(CC1)C(=O)[C@@H]1CCC[NH2+]1)c1ccccc1
Cc1ccccc1C(=O)N[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1C[C@@H](C)O[C@H](C)C1
Cc1ccccc1C(=O)N[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[*:1]
OC1(C(F)(F)F)CC[NH+](CCCOc2ccccc2)CC1 FC(F)(F)[*:1] OC1(CC[NH+](CCCOc2ccccc2)CC1)[*:1]
OC1(C(F)(F)F)CC[NH+](CCCOc2ccccc2)CC1 c1ccc(cc1)[*:1] OC1(CC[NH+](CCCO[*:1])CC1)C(F)(F)F
OC1(C(F)(F)F)CC[NH+](CCCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] OC1(CC[NH+](CCC[*:1])CC1)C(F)(F)F
CCC[NH2+][C@H]1CC[C@@H](N(C)C[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] CCC[NH2+][C@H]1CC[C@H](C1)N(C)C[*:1]
CCC[NH2+][C@H]1CC[C@@H](N(C)C[C@@H]2CCCO2)C1 CCC[*:1] CN(C[C@@H]1CCCO1)[C@@H]1CC[C@@H](C1)[NH2+][*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCCn2cccn2)cc1 c1cnn(c1)C[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)OC[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCCn2cccn2)cc1 c1cnn(c1)CC[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)O[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCCn2cccn2)cc1 c1cnn(c1)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)OCC[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCCn2cccn2)cc1 C[C@@H]1C[C@@H]1C(=O)N[*:1] O=C(OCCn1cccn1)c1ccc(cc1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)N/N=C/c1ccc(cc1)N(C)C)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N/N=C/c1ccc(cc1)N(C)C
C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 CN(C)[*:1] C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(cc1)[*:1]
COc1ccc(CSc2nnc(Nc3ccc(Cl)cc3)c(=O)n2C)cc1OC Clc1ccc(cc1)N[*:1] COc1ccc(cc1OC)CSc1nnc(c(=O)n1C)[*:1]
COc1ccc(CSc2nnc(Nc3ccc(Cl)cc3)c(=O)n2C)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)CSc1nnc(N[*:1])c(=O)n1C
O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1c[nH]c2ccccc12 Fc1cccc(c1)[*:1] O=C(COC(=O)C1(CCCC1)[*:1])c1c[nH]c2ccccc12
O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(OCC(=O)[*:1])C1(CCCC1)c1cccc(F)c1
CC(C)(C#N)NC(=O)c1cc(Cl)sc1Cl CC(C)(C#N)[*:1] O=C(N[*:1])c1cc(Cl)sc1Cl
CN(C)c1cc(CNC(=O)C2CCC2)c2ccccc2[nH+]1 O=C(N[*:1])C1CCC1 CN(C)c1cc(C[*:1])c2ccccc2[nH+]1
CN(C)c1cc(CNC(=O)C2CCC2)c2ccccc2[nH+]1 CN(C)[*:1] O=C(NCc1cc([nH+]c2ccccc12)[*:1])C1CCC1
CN(C)c1cc(CNC(=O)C2CCC2)c2ccccc2[nH+]1 C1CC(C1)[*:1] CN(C)c1cc(CNC(=O)[*:1])c2ccccc2[nH+]1
C=CCNC(=O)COc1c(F)cc(CO)cc1F C=CC[*:1] O=C(COc1c(F)cc(cc1F)CO)N[*:1]
C=CCNC(=O)COc1c(F)cc(CO)cc1F C=CCNC(=O)[*:1] OCc1cc(F)c(OC[*:1])c(F)c1
CCCCC(=O)N1CCC[NH2+]CC1 CCCC[*:1] O=C(N1CCC[NH2+]CC1)[*:1]
CCCCC(=O)N1CCC[NH2+]CC1 CCC[*:1] O=C(C[*:1])N1CCC[NH2+]CC1
COC(=O)c1cccc([N+](=O)[O-])c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O COC(=O)[*:1] Cc1c(NC(=O)c2c(cccc2[*:1])[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C
COC(=O)c1cccc([N+](=O)[O-])c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O O=[N+]([O-])[*:1] COC(=O)c1cccc(c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[*:1]
COC(=O)c1cccc([N+](=O)[O-])c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] COC(=O)c1cccc(c1C(=O)Nc1c(C)n(C)n(c1=O)[*:1])[N+](=O)[O-]
CC(C)=CC[C@@]1(C(=O)[O-])CCC[C@H](C)C1 O=C([O-])[*:1] CC(C)=CC[C@]1(CCC[C@H](C)C1)[*:1]
CC(C)=CC[C@@]1(C(=O)[O-])CCC[C@H](C)C1 CC(C)=CC[*:1] C[C@H]1CCC[C@@](C1)(C(=O)[O-])[*:1]
CC(C)=CC[C@@]1(C(=O)[O-])CCC[C@H](C)C1 CC(C)=C[*:1] C[C@H]1CCC[C@@](C1)(C[*:1])C(=O)[O-]
CC/[NH+]=C(/NCC(=O)N1CCCC1)N[C@H]1C[C@@H]1c1c(F)cccc1F O=C(C[*:1])N1CCCC1 CC/[NH+]=C(\N[C@H]1C[C@@H]1c1c(F)cccc1F)N[*:1]
CC/[NH+]=C(/NCC(=O)N1CCCC1)N[C@H]1C[C@@H]1c1c(F)cccc1F Fc1cccc(F)c1[*:1] CC/[NH+]=C(/NCC(=O)N1CCCC1)N[C@H]1C[C@H]1[*:1]
CC/[NH+]=C(/NCC(=O)N1CCCC1)N[C@H]1C[C@@H]1c1c(F)cccc1F O=C(N1CCCC1)[*:1] CC/[NH+]=C(/NC[*:1])N[C@H]1C[C@@H]1c1c(F)cccc1F
C#CC[C@@H](C)OC(=O)c1ccnc(C2CC2)n1 C1CC1[*:1] C#CC[C@@H](C)OC(=O)c1ccnc(n1)[*:1]
C#CC[C@@H](C)OC(=O)c1ccnc(C2CC2)n1 C#CC[C@@H](C)[*:1] O=C(O[*:1])c1ccnc(n1)C1CC1
C#CC[C@@H](C)OC(=O)c1ccnc(C2CC2)n1 C#CC[*:1] C[C@@H](OC(=O)c1ccnc(n1)C1CC1)[*:1]
Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2N2CCCC2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1nc(oc1N1CCCC1)[*:1]
Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2N2CCCC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(c1nc(oc1N1CCCC1)-c1ccc(F)cc1)[*:1]
Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2N2CCCC2)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1nc(oc1[*:1])-c1ccc(F)cc1
COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(C)c(OC)c2)c2ccccc21 COC(=O)[*:1] COc1cc(ccc1C)CC(=O)N1CC[C@H](c2ccccc21)[*:1]
C=C(C)COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1 C=C(C)CO[*:1] Cc1ccc(cc1)C[NH2+]Cc1cccc(c1)[*:1]
C=C(C)COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1 C=C(C)[*:1] Cc1ccc(cc1)C[NH2+]Cc1cccc(c1)OC[*:1]
C=C(C)COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] C=C(C)COc1cccc(c1)C[NH2+]C[*:1]
C=C(C)COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1 C=C(C)C[*:1] Cc1ccc(cc1)C[NH2+]Cc1cccc(c1)O[*:1]
CC(=O)NCCCSc1nnnn1Cc1ccco1 CC(=O)NC[*:1] c1coc(c1)Cn1nnnc1SCC[*:1]
CC(=O)NCCCSc1nnnn1Cc1ccco1 CC(=O)NCC[*:1] c1coc(c1)Cn1nnnc1SC[*:1]
CC(=O)NCCCSc1nnnn1Cc1ccco1 c1coc(c1)C[*:1] CC(=O)NCCCSc1nnnn1[*:1]
CC(=O)NCCCSc1nnnn1Cc1ccco1 c1coc(c1)[*:1] CC(=O)NCCCSc1nnnn1C[*:1]
CC(=O)NCCCSc1nnnn1Cc1ccco1 CC(=O)N[*:1] c1coc(c1)Cn1nnnc1SCCC[*:1]
Cc1ccc(-c2n[nH]cc2CN2CCNC(=O)[C@@H]2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN1CCNC(=O)[C@H]1[*:1]
Cc1ccc(-c2n[nH]cc2CN2CCNC(=O)[C@@H]2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H]1C(=O)NCCN1Cc1c[nH]nc1[*:1]
COC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1 COC(=O)[*:1] O=C(CN1CCN(CC1)c1ccccc1F)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] COC(=O)c1ccc(cc1)NC(=O)CN1CCN(CC1)[*:1]
Cc1nc(C)c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)o1 c1coc(c1)C[*:1] Cc1nc(C)c(o1)C(=O)N(C1CC[NH+](C)CC1)[*:1]
Cc1nc(C)c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)o1 c1coc(c1)[*:1] Cc1nc(C)c(o1)C(=O)N(C[*:1])C1CC[NH+](C)CC1
Cc1nc(C)c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)o1 Cc1nc(C)c(o1)[*:1] C[NH+]1CCC(CC1)N(Cc1ccco1)C(=O)[*:1]
CC(C)CCN(C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)C1CC1 CC(C)[*:1] C[C@@H]1CN(Cc2ccccc2NC(=O)N(CC[*:1])C2CC2)C[C@@H](C)O1
CC(C)CCN(C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)C1CC1 CC(C)CC[*:1] C[C@@H]1CN(Cc2ccccc2NC(=O)N(C2CC2)[*:1])C[C@@H](C)O1
CC(C)CCN(C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)C1CC1 C1CC1[*:1] CC(C)CCN(C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)[*:1]
CC(C)CCN(C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)C1CC1 CC(C)C[*:1] C[C@@H]1CN(Cc2ccccc2NC(=O)N(C[*:1])C2CC2)C[C@@H](C)O1
O=C(NO[C@@H]1CCCCO1)[C@H]1C[C@@H]1c1ccc(F)cc1 C1CC[C@H](OC1)[*:1] O=C(NO[*:1])[C@H]1C[C@@H]1c1ccc(F)cc1
Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C1CCOCC1 Cc1noc(C)c1[*:1] Cc1noc(C)c1C[NH+](C[*:1])C1CCOCC1
Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C1CCOCC1 C1CC(CCO1)[*:1] Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)[*:1]
CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H](n2ccc(C)n2)C1 Cc1ccn(n1)[*:1] CCC[NH2+][C@@]1(CCC[C@H](C1)[*:1])C(=O)[O-]
CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H](n2ccc(C)n2)C1 O=C([O-])[*:1] CCC[NH2+][C@@]1(CCC[C@@H](C1)n1ccc(C)n1)[*:1]
CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H](n2ccc(C)n2)C1 CCC[*:1] Cc1ccn(n1)[C@H]1CCC[C@](C1)([NH2+][*:1])C(=O)[O-]
COC(=O)c1oc2ccccc2c1N(C(=O)Oc1ccccc1)C(=O)Oc1ccccc1 COC(=O)[*:1] O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1c(oc2ccccc12)[*:1]
COC(=O)c1oc2ccccc2c1N(C(=O)Oc1ccccc1)C(=O)Oc1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1oc2ccccc2c1N(C(=O)Oc1ccccc1)C(=O)O[*:1]
Cn1cc(C(N)=O)cc1C(=O)N1CCOC[C@@H]1C1CC1 NC(=O)[*:1] Cn1cc(cc1C(=O)N1CCOC[C@@H]1C1CC1)[*:1]
Cn1cc(C(N)=O)cc1C(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] Cn1cc(cc1C(=O)N1CCOC[C@H]1[*:1])C(N)=O
Cc1c([C@H](C)NC(=O)c2ccccc2S(C)(=O)=O)oc2ccccc12 CS(=O)(=O)[*:1] Cc1c(oc2ccccc12)[C@H](C)NC(=O)c1ccccc1[*:1]
C[C@@H]([NH3+])c1ccccc1N(C)CC(C)(C)O CC(C)(O)[*:1] C[C@@H]([NH3+])c1ccccc1N(C)C[*:1]
C[C@@H]([NH3+])c1ccccc1N(C)CC(C)(C)O CC(C)(O)C[*:1] C[C@@H]([NH3+])c1ccccc1N(C)[*:1]
Cc1ccc(C(=O)NCCNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cc1F Cc1ccc(cc1F)[*:1] Cc1c(/C=C(\C#N)C(=O)NCCNC(=O)[*:1])cc(C#N)n1C
Cc1ccc(C(=O)NCCNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)cc1F Cc1c(cc(C#N)n1C)[*:1] Cc1ccc(cc1F)C(=O)NCCNC(=O)C(C#N)=C[*:1]
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)Nc1cc2ccccc2oc1=O)c1ccc(Cl)cc1 O=c1oc2ccccc2cc1[*:1] O=C(Nc1nc2c(CCC[C@@H]2C(=O)N[*:1])s1)c1ccc(Cl)cc1
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)Nc1cc2ccccc2oc1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1cc2ccccc2oc1=O)[C@H]1CCCc2sc(nc21)NC(=O)[*:1]
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)Nc1cc2ccccc2oc1=O)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 O=C(Nc1cc2ccccc2oc1=O)[C@H]1CCCc2sc(nc21)[*:1]
CCc1cccc(Oc2ccc(NC(=O)c3cn4cccnc4n3)cn2)c1 CCc1cccc(c1)[*:1] O=C(Nc1ccc(nc1)O[*:1])c1cn2cccnc2n1
CCc1cccc(Oc2ccc(NC(=O)c3cn4cccnc4n3)cn2)c1 c1cnc2nc(cn2c1)[*:1] CCc1cccc(c1)Oc1ccc(cn1)NC(=O)[*:1]
CCc1cccc(Oc2ccc(NC(=O)c3cn4cccnc4n3)cn2)c1 CCc1cccc(c1)O[*:1] O=C(Nc1ccc(nc1)[*:1])c1cn2cccnc2n1
O=C(OCCOc1ccccc1F)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(OCCOc1ccccc1F)c1cc([nH]n1)[*:1]
O=C(OCCOc1ccccc1F)c1cc(C2CC2)[nH]n1 Fc1ccccc1[*:1] O=C(OCCO[*:1])c1cc([nH]n1)C1CC1
O=C([O-])C1CCN(C2=NC(Cl)=NC3=NC=N[C@@H]32)CC1 O=C([O-])[*:1] ClC1=NC2=NC=N[C@@H]2C(=N1)N1CCC(CC1)[*:1]
O=C(Nc1nnc(Cc2ccc(Cl)s2)o1)c1cc2ccccc2oc1=O Clc1ccc(C[*:1])s1 O=C(Nc1nnc(o1)[*:1])c1cc2ccccc2oc1=O
O=C(Nc1nnc(Cc2ccc(Cl)s2)o1)c1cc2ccccc2oc1=O Clc1ccc(s1)[*:1] O=C(Nc1nnc(C[*:1])o1)c1cc2ccccc2oc1=O
COC(=O)C[C@H]1CCCCN1C(=O)c1oc(C)nc1C COC(=O)C[*:1] Cc1nc(C)c(o1)C(=O)N1CCCC[C@@H]1[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)c1oc(C)nc1C COC(=O)[*:1] Cc1nc(C)c(o1)C(=O)N1CCCC[C@@H]1C[*:1]
Cc1ccccc1Nc1ncnc(N2CCN(c3ccccc3)CC2)c1N c1ccc(cc1)[*:1] Cc1ccccc1Nc1ncnc(c1N)N1CCN(CC1)[*:1]
Cc1ccccc1Nc1ncnc(N2CCN(c3ccccc3)CC2)c1N Cc1ccccc1[*:1] Nc1c(ncnc1N1CCN(CC1)c1ccccc1)N[*:1]
Cc1ccccc1Nc1ncnc(N2CCN(c3ccccc3)CC2)c1N Cc1ccccc1N[*:1] Nc1c(ncnc1[*:1])N1CCN(CC1)c1ccccc1
C[C@H]1C[C@H]([NH3+])CN(CC(=O)NC(=O)c2cccn2C)C1 Cn1cccc1[*:1] C[C@H]1C[C@H]([NH3+])CN(CC(=O)NC(=O)[*:1])C1
O=[N+]([O-])c1ccc2c(c1)nc(CSc1nncs1)n2-c1ccc(F)cc1 c1nnc(SC[*:1])s1 O=[N+]([O-])c1ccc2c(c1)nc(n2-c1ccc(F)cc1)[*:1]
O=[N+]([O-])c1ccc2c(c1)nc(CSc1nncs1)n2-c1ccc(F)cc1 c1nnc(S[*:1])s1 O=[N+]([O-])c1ccc2c(c1)nc(C[*:1])n2-c1ccc(F)cc1
O=[N+]([O-])c1ccc2c(c1)nc(CSc1nncs1)n2-c1ccc(F)cc1 O=[N+]([O-])[*:1] Fc1ccc(cc1)-n1c(CSc2nncs2)nc2cc(ccc21)[*:1]
O=[N+]([O-])c1ccc2c(c1)nc(CSc1nncs1)n2-c1ccc(F)cc1 c1nnc(s1)[*:1] O=[N+]([O-])c1ccc2c(c1)nc(CS[*:1])n2-c1ccc(F)cc1
O=[N+]([O-])c1ccc2c(c1)nc(CSc1nncs1)n2-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc2c(c1)nc(CSc1nncs1)n2[*:1]
C[C@@H](NC(=O)C[C@H]1CCCCO1)C(=O)[O-] C[C@@H](C(=O)[O-])[*:1] O=C(C[C@H]1CCCCO1)N[*:1]
C[C@@H](NC(=O)C[C@H]1CCCCO1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NC(=O)C[C@H]1CCCCO1)[*:1]
CCCn1ccn(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1=S Fc1ccc(c(F)c1F)[*:1] CCCn1ccn(CN2CCN(CC2)S(=O)(=O)[*:1])c1=S
CCCn1ccn(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1=S CCC[*:1] O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(CC1)Cn1ccn(c1=S)[*:1]
Cc1cc(N2CCN(C(=O)NCc3ncn(C)n3)CC2)nc(C)[nH+]1 Cn1cnc(n1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)NC[*:1]
Cc1cc(N2CCN(C(=O)NCc3ncn(C)n3)CC2)nc(C)[nH+]1 Cn1cnc(C[*:1])n1 Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)N[*:1]
CC(C)n1ccc(CCNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 CC(C)[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)NC(=O)NCCc1ccn(n1)[*:1]
CC(C)n1ccc(CCNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 CC(C)n1ccc(n1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)NC(=O)NCC[*:1]
CC(C)n1ccc(CCNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 CS(=O)(=O)[*:1] CC(C)n1ccc(CCNC(=O)N[C@H]2CCC[C@@H](C2)[*:1])n1
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccn(C)n3)nc12 Cn1ccc(n1)[*:1] COc1cc(cc2sc(nc12)NC(=O)[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccn(C)n3)nc12 O=[N+]([O-])[*:1] COc1cc(cc2sc(nc12)NC(=O)c1ccn(C)n1)[*:1]
CN(C(=O)c1ccnc(OC2CCC2)c1)[C@H]1CCC[C@H]1S(C)(=O)=O C1CC(C1)O[*:1] CN(C(=O)c1ccnc(c1)[*:1])[C@H]1CCC[C@H]1S(C)(=O)=O
CN(C(=O)c1ccnc(OC2CCC2)c1)[C@H]1CCC[C@H]1S(C)(=O)=O C1CC(C1)[*:1] CN(C(=O)c1ccnc(c1)O[*:1])[C@H]1CCC[C@H]1S(C)(=O)=O
CN(C(=O)c1ccnc(OC2CCC2)c1)[C@H]1CCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)c1ccnc(c1)OC1CCC1)[C@H]1CCC[C@@H]1[*:1]
C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 FC(F)(F)C[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 FC(F)(F)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)N2CCN(c3ccccc3F)CC2)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)N1CCN(CC1)c1ccccc1F)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)N2CCN(c3ccccc3F)CC2)c1 Fc1ccccc1[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)N1CCN(CC1)[*:1]
C#CCn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cc(S(N)(=O)=O)ccc21 C#CC[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)Cc1ccc3OCOc3c1)n2[*:1]
C#CCn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] C#CCn1/c(=N/C(=O)Cc2ccc3OCOc3c2)sc2cc(ccc21)[*:1]
C#CCn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cc(S(N)(=O)=O)ccc21 c1cc2OCOc2cc1[*:1] C#CCn1/c(=N/C(=O)C[*:1])sc2cc(ccc21)S(N)(=O)=O
Cc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)c(C)n1-c1cccnc1 c1cncc(c1)[*:1] Cc1cc(C(=O)Nc2cccc(c2)Cn2cccn2)c(C)n1[*:1]
Cc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)c(C)n1-c1cccnc1 c1cnn(c1)C[*:1] Cc1cc(C(=O)Nc2cccc(c2)[*:1])c(C)n1-c1cccnc1
Cc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)c(C)n1-c1cccnc1 c1cnn(c1)[*:1] Cc1cc(C(=O)Nc2cccc(c2)C[*:1])c(C)n1-c1cccnc1
COc1cccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2Br)[NH+](C)C)c1 Brc1ccc(c(Br)c1)[*:1] COc1cccc(c1)[C@@H](CNS(=O)(=O)[*:1])[NH+](C)C
COc1cccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2Br)[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)cc1Br)[*:1]
COc1ccc(-c2nc(CNC(=O)c3ccccc3)n[nH]2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(CNC(=O)[*:1])n[nH]1
CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N(C)c2cccc(Cl)c2)c1=O CC(C)CC[*:1] CN(C(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1])c1cccc(Cl)c1
CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N(C)c2cccc(Cl)c2)c1=O CC(C)C[*:1] CN(C(=O)Cn1c(=O)n(C[*:1])c(=O)c2ccccc21)c1cccc(Cl)c1
CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N(C)c2cccc(Cl)c2)c1=O Clc1cccc(c1)[*:1] CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N(C)[*:1])c1=O
CC(C)CCn1c(=O)c2ccccc2n(CC(=O)N(C)c2cccc(Cl)c2)c1=O CC(C)[*:1] CN(C(=O)Cn1c(=O)n(CC[*:1])c(=O)c2ccccc21)c1cccc(Cl)c1
C[C@@H](CO)CSC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 C[C@@H](CO)[*:1] [NH3+][C@H](CSC[*:1])c1ccc2OCCCOc2c1
C[C@@H](CO)CSC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 C[C@@H](CO)CS[*:1] [NH3+][C@H](C[*:1])c1ccc2OCCCOc2c1
C[C@@H](CO)CSC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 C[C@@H](CO)C[*:1] [NH3+][C@H](CS[*:1])c1ccc2OCCCOc2c1
CCN1CCO[C@@H](COc2ccc(F)cc2[C@H](C)O)C1 C[C@H](O)[*:1] CCN1CCO[C@@H](COc2ccc(F)cc2[*:1])C1
Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)NCC[NH+](C)C)cc1 C[NH+](C)CCNC(=O)[*:1] Cc1cc2N(Cc3ccc(cc3)[*:1])C(=O)CCn2n1
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[C@@H](C(N)=O)C1 NC(=O)[*:1] C[C@H](Oc1ccc(cc1)C(C)(C)C)C(=O)N1CC[C@@H](C1)[*:1]
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[C@@H](C(N)=O)C1 CC(C)(C)[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)N1CC[C@H](C1)C(N)=O
CCCCNC(=O)c1ccc(-c2noc(-c3ccc(OC)cc3)n2)s1 COc1ccc(cc1)[*:1] CCCCNC(=O)c1ccc(s1)-c1noc(n1)[*:1]
CCCCNC(=O)c1ccc(-c2noc(-c3ccc(OC)cc3)n2)s1 CCC[*:1] COc1ccc(cc1)-c1nc(no1)-c1ccc(s1)C(=O)NC[*:1]
CCCCNC(=O)c1ccc(-c2noc(-c3ccc(OC)cc3)n2)s1 CCCCNC(=O)[*:1] COc1ccc(cc1)-c1nc(no1)-c1ccc(s1)[*:1]
CCCCNC(=O)c1ccc(-c2noc(-c3ccc(OC)cc3)n2)s1 CCCC[*:1] COc1ccc(cc1)-c1nc(no1)-c1ccc(s1)C(=O)N[*:1]
COc1ccc(C2=C[C@@H](C(=O)NCc3ccccc3OC)N=N2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)C1=C[C@H](N=N1)C(=O)NC[*:1]
COc1ccc(C2=C[C@@H](C(=O)NCc3ccccc3OC)N=N2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1CNC(=O)[C@@H]1C=C(N=N1)[*:1]
COC(=O)[C@@H](CNC(=O)C(C)(C)C#N)Cc1ccc2ccccc2c1 CC(C)(C#N)C(=O)N[*:1] COC(=O)[C@H](Cc1ccc2ccccc2c1)C[*:1]
COC(=O)[C@@H](CNC(=O)C(C)(C)C#N)Cc1ccc2ccccc2c1 CC(C)(C#N)[*:1] COC(=O)[C@@H](CNC(=O)[*:1])Cc1ccc2ccccc2c1
COC(=O)[C@@H](CNC(=O)C(C)(C)C#N)Cc1ccc2ccccc2c1 COC(=O)[*:1] CC(C)(C#N)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)[*:1]
C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 C1CC1[*:1] C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cc(nn2-c2ccccc2)[*:1])C1
C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cc(nn2[*:1])C2CC2)C1
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O C1CC1[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O Fc1ccc(F)c(c1)[*:1] C[C@@H](N(C)C(=O)CN1C(=O)N[C@@](C)(C1=O)C1CC1)[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)[C@@H]1C(C(=O)c2ccc(C)o2)=C(O)C(=O)N1C[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)[C@@H]1C(C(=O)c2ccc(C)o2)=C(O)C(=O)N1[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C(O)C(=O)N1C[C@@H]1CCCO1
Cc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 Cc1ccc(o1)C(=O)[*:1] Cc1ccc(cc1)[C@@H]1C(=C(O)C(=O)N1C[C@@H]1CCCO1)[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1[*:1]
C[C@H]1CCCN(C(=O)/C=C/c2ccc(C(N)=O)cc2)[C@H]1C NC(=O)[*:1] C[C@H]1CCCN(C(=O)/C=C/c2ccc(cc2)[*:1])[C@H]1C
O=C(CCc1cccs1)Oc1cccc(N2CCCC2=O)c1 c1csc(c1)[*:1] O=C(CC[*:1])Oc1cccc(c1)N1CCCC1=O
O=C(CCc1cccs1)Oc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(CCc1cccs1)Oc1cccc(c1)[*:1]
O=C(CCc1cccs1)Oc1cccc(N2CCCC2=O)c1 c1csc(c1)CC[*:1] O=C1CCCN1c1cccc(c1)OC(=O)[*:1]
O=C(CCc1cccs1)Oc1cccc(N2CCCC2=O)c1 c1csc(c1)C[*:1] O=C(C[*:1])Oc1cccc(c1)N1CCCC1=O
COc1ccc(C2=NN(C(=O)CSc3ncnc4ccccc34)[C@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)CSc1ncnc2ccccc12)[*:1]
COc1ccc(C2=NN(C(=O)CSc3ncnc4ccccc34)[C@H](c3ccco3)C2)cc1 c1ccc2c(ncnc2c1)[*:1] COc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C(=O)CS[*:1]
COc1ccc(C2=NN(C(=O)CSc3ncnc4ccccc34)[C@H](c3ccco3)C2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1ncnc2ccccc12)N1N=C(C[C@H]1c1ccco1)[*:1]
CC(C)[C@H](CNC(=O)c1ccnc(OC2CCC2)c1)c1cccnc1 C1CC(C1)[*:1] CC(C)[C@H](CNC(=O)c1ccnc(c1)O[*:1])c1cccnc1
CC(C)[C@H](CNC(=O)c1ccnc(OC2CCC2)c1)c1cccnc1 CC(C)[*:1] O=C(NC[C@H](c1cccnc1)[*:1])c1ccnc(c1)OC1CCC1
CC(C)[C@H](CNC(=O)c1ccnc(OC2CCC2)c1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H](CNC(=O)c1ccnc(c1)OC1CCC1)[*:1]
CC(C)[C@H](CNC(=O)c1ccnc(OC2CCC2)c1)c1cccnc1 C1CC(C1)O[*:1] CC(C)[C@H](CNC(=O)c1ccnc(c1)[*:1])c1cccnc1
CCc1ccc([C@H](COC)NC(=O)N2[C@@H](C)CCC[C@@H]2C)o1 CCc1ccc(o1)[*:1] COC[C@H](NC(=O)N1[C@@H](C)CCC[C@@H]1C)[*:1]
CCc1ccc([C@H](COC)NC(=O)N2[C@@H](C)CCC[C@@H]2C)o1 COC[*:1] CCc1ccc(o1)[C@H](NC(=O)N1[C@@H](C)CCC[C@@H]1C)[*:1]
C[C@@H](O)CCC(=O)N[C@H](C)Cn1cc[nH+]c1 C[C@@H](O)[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)CC[*:1]
C[C@@H](O)CCC(=O)N[C@H](C)Cn1cc[nH+]c1 C[C@@H](O)C[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)C[*:1]
C[C@@H](O)CCC(=O)N[C@H](C)Cn1cc[nH+]c1 C[C@@H](O)CC[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)[*:1]
CCc1nncn1CCNC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 CCc1nncn1C[*:1] O=C(NC[*:1])N[C@@H](c1ccc(F)cc1)C1CCCC1
CCc1nncn1CCNC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 Fc1ccc(cc1)[*:1] CCc1nncn1CCNC(=O)N[C@@H](C1CCCC1)[*:1]
CCc1nncn1CCNC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] CCc1nncn1CCNC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CCc1nncn1CCNC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 CCc1nncn1[*:1] O=C(NCC[*:1])N[C@@H](c1ccc(F)cc1)C1CCCC1
C[C@@H](C(=O)NC[C@@H](C)N(C)c1ccccc1)n1cncn1 C[C@@H](n1cncn1)[*:1] C[C@H](CNC(=O)[*:1])N(C)c1ccccc1
C[C@@H](C(=O)NC[C@@H](C)N(C)c1ccccc1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)NC[C@@H](C)N(C)c1ccccc1)[*:1]
C[C@@H](C(=O)NC[C@@H](C)N(C)c1ccccc1)n1cncn1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC[C@@H](C)N(C)[*:1])n1cncn1
CC[C@@H](C)CNC(=O)c1ccc(Br)cc1N CC[C@@H](C)[*:1] Nc1cc(Br)ccc1C(=O)NC[*:1]
CC[C@@H](C)CNC(=O)c1ccc(Br)cc1N CC[C@@H](C)C[*:1] Nc1cc(Br)ccc1C(=O)N[*:1]
CC(C)(CSCCC(=O)[O-])C(=O)[O-] O=C([O-])[*:1] CC(C)(CSCCC(=O)[O-])[*:1]
CC(C)(CSCCC(=O)[O-])C(=O)[O-] O=C([O-])[*:1] CC(C)(CSCC[*:1])C(=O)[O-]
CC(C)(CSCCC(=O)[O-])C(=O)[O-] O=C([O-])C[*:1] CC(C)(CSC[*:1])C(=O)[O-]
Cc1ccc(C2=Nc3ccc(F)cc3C(c3ccncc3)=NN2)cc1 Cc1ccc(cc1)[*:1] Fc1ccc2N=C(NN=C(c3ccncc3)c2c1)[*:1]
Cc1ccc(C2=Nc3ccc(F)cc3C(c3ccncc3)=NN2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)C1=Nc2ccc(F)cc2C(=NN1)[*:1]
COC[C@H](O)CN(C)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 COC[C@H](O)[*:1] CN(C[*:1])C(=O)c1ccn(n1)-c1ccc(Cl)c(Cl)c1
COC[C@H](O)CN(C)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 COC[*:1] CN(C[C@@H](O)[*:1])C(=O)c1ccn(n1)-c1ccc(Cl)c(Cl)c1
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1C Cc1ccc(cc1)[*:1] COc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1C COc1ccc(cc1C)[*:1] Cc1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)CCNC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 CC(C)CC[*:1] O=C(Cc1csc2nc(cn12)-c1ccc(F)cc1)N[*:1]
CC(C)CCNC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 CC(C)CCNC(=O)[*:1] Fc1ccc(cc1)-c1cn2c(csc2n1)C[*:1]
CC(C)CCNC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 CC(C)[*:1] O=C(Cc1csc2nc(cn12)-c1ccc(F)cc1)NCC[*:1]
CC(C)CCNC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 CC(C)C[*:1] O=C(Cc1csc2nc(cn12)-c1ccc(F)cc1)NC[*:1]
CC(C)CCNC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 Fc1ccc(cc1)[*:1] CC(C)CCNC(=O)Cc1csc2nc(cn12)[*:1]
O=C(Nc1ccccc1)c1cc2n(n1)CCN(C(=O)[C@H]1C=NN=C1C1CC1)C2 O=C(Nc1ccccc1)[*:1] O=C([C@H]1C=NN=C1C1CC1)N1CCn2nc(cc2C1)[*:1]
O=C(Nc1ccccc1)c1cc2n(n1)CCN(C(=O)[C@H]1C=NN=C1C1CC1)C2 c1ccc(cc1)[*:1] O=C(N[*:1])c1cc2CN(CCn2n1)C(=O)[C@H]1C=NN=C1C1CC1
O=C(Nc1ccccc1)c1cc2n(n1)CCN(C(=O)[C@H]1C=NN=C1C1CC1)C2 C1CC1[*:1] O=C(Nc1ccccc1)c1cc2CN(CCn2n1)C(=O)[C@H]1C=NN=C1[*:1]
Cc1cccc(Nc2ncnc(NC3CCCCC3)c2N)c1C C1CCC(CC1)[*:1] Cc1cccc(Nc2ncnc(N[*:1])c2N)c1C
Cc1cccc(Nc2ncnc(NC3CCCCC3)c2N)c1C C1CCC(CC1)N[*:1] Cc1cccc(Nc2ncnc(c2N)[*:1])c1C
Cc1cc(C)cc(OCCNS(=O)(=O)c2c(C)cc(C)cc2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCCO[*:1]
CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3cccc(F)c3)CC1)C2=O Fc1cccc(c1)[*:1] CCOC(=O)N1CCC2(CC1)NC(=O)N(C2=O)C1CC[NH+](CC1)C[*:1]
CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3cccc(F)c3)CC1)C2=O Fc1cccc(c1)C[*:1] CCOC(=O)N1CCC2(CC1)NC(=O)N(C2=O)C1CC[NH+](CC1)[*:1]
Cc1c(C(=O)O[C@@H](C#N)C(C)C)sc2nc(C(F)(F)F)ccc12 FC(F)(F)[*:1] Cc1c(sc2nc(ccc12)[*:1])C(=O)O[C@@H](C#N)C(C)C
Cc1c(C(=O)O[C@@H](C#N)C(C)C)sc2nc(C(F)(F)F)ccc12 CC(C)[*:1] Cc1c(sc2nc(ccc12)C(F)(F)F)C(=O)O[C@@H](C#N)[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CC[C@@H]([N+]3=CCCC3)C2)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1CCC(=O)N1C[*:1])N1CC[C@H](C1)[N+]1=CCCC1
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CC[C@@H]([N+]3=CCCC3)C2)cc1 Cc1ccc(cc1)C[*:1] O=C([C@@H]1CCC(=O)N1[*:1])N1CC[C@H](C1)[N+]1=CCCC1
CCOC(=O)Cc1csc(NC(=O)c2cc(Cl)nc(NC)c2)n1 CCOC(=O)[*:1] CNc1cc(cc(Cl)n1)C(=O)Nc1nc(cs1)C[*:1]
CCOC(=O)Cc1csc(NC(=O)c2cc(Cl)nc(NC)c2)n1 CCOC(=O)C[*:1] CNc1cc(cc(Cl)n1)C(=O)Nc1nc(cs1)[*:1]
CCC(C)(C)C1CCC(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 CS(=O)(=O)[*:1] CCC(C)(C)C1CCC(CC1)NC(=O)Cn1c(C[*:1])nc2ccccc21
CCC(C)(C)C1CCC(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 CCC(C)(C)[*:1] CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NC1CCC(CC1)[*:1]
CCC(C)(C)C1CCC(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 CS(=O)(=O)C[*:1] CCC(C)(C)C1CCC(CC1)NC(=O)Cn1c(nc2ccccc21)[*:1]
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(SCC(N)=O)nnc12 O=C(NC1CCCC1)[*:1] CC(C)Cn1c(=O)c2ccc(cc2n2c(nnc12)SCC(N)=O)[*:1]
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(SCC(N)=O)nnc12 CC(C)[*:1] NC(=O)CSc1nnc2n(C[*:1])c(=O)c3ccc(cc3n12)C(=O)NC1CCCC1
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(SCC(N)=O)nnc12 NC(=O)[*:1] CC(C)Cn1c(=O)c2ccc(cc2n2c(nnc12)SC[*:1])C(=O)NC1CCCC1
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(SCC(N)=O)nnc12 C1CCC(C1)[*:1] CC(C)Cn1c(=O)c2ccc(cc2n2c(nnc12)SCC(N)=O)C(=O)N[*:1]
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(SCC(N)=O)nnc12 NC(=O)C[*:1] CC(C)Cn1c(=O)c2ccc(cc2n2c(nnc12)S[*:1])C(=O)NC1CCCC1
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(SCC(N)=O)nnc12 NC(=O)CS[*:1] CC(C)Cn1c(=O)c2ccc(cc2n2c(nnc12)[*:1])C(=O)NC1CCCC1
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(SCC(N)=O)nnc12 CC(C)C[*:1] NC(=O)CSc1nnc2n(c(=O)c3ccc(cc3n12)C(=O)NC1CCCC1)[*:1]
O[C@@H](COc1ccc(Cl)cc1Cl)CSc1nnnn1C1CC1 C1CC1[*:1] O[C@@H](COc1ccc(Cl)cc1Cl)CSc1nnnn1[*:1]
C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 C/C=C/C=C[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)[*:1]
C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 CC=C[*:1] O=C(C=C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
COc1ccc(CC(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N1CCC(CC1)OC[*:1]
COc1ccc(CC(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)CC(=O)N1CCC(CC1)O[*:1]
COc1ccc(CC(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCN3C(=O)NC[C@@H]3C2)C1 O=C([O-])[*:1] O=C([C@@H]1CCC[C@H](C1)[*:1])N1CCN2C(=O)NC[C@@H]2C1
CCC[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)C(=O)[O-] O=[N+]([O-])[*:1] CCC[C@@H](CNc1cc(C)c(cn1)[*:1])C(=O)[O-]
CCC[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)C(=O)[O-] CCC[*:1] Cc1cc(ncc1[N+](=O)[O-])NC[C@@H](C(=O)[O-])[*:1]
CCC[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)C(=O)[O-] O=C([O-])[*:1] CCC[C@@H](CNc1cc(C)c(cn1)[N+](=O)[O-])[*:1]
NC(=O)[C@]1([NH3+])CCC[C@@H]1CCSc1ccccc1F NC(=O)[*:1] [NH3+][C@@]1(CCC[C@@H]1CCSc1ccccc1F)[*:1]
C[C@@H](C(=O)Nc1ccccc1C#N)n1nc(-n2cccn2)ccc1=O N#Cc1ccccc1[*:1] C[C@@H](C(=O)N[*:1])n1nc(ccc1=O)-n1cccn1
C[C@@H](C(=O)Nc1ccccc1C#N)n1nc(-n2cccn2)ccc1=O c1cnn(c1)[*:1] C[C@@H](C(=O)Nc1ccccc1C#N)n1nc(ccc1=O)[*:1]
Cn1nc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)ccc1=O Cn1nc(ccc1=O)[*:1] O=C1[C@@H](CCCN1c1ccccc1)NC(=O)[*:1]
Cn1nc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)ccc1=O c1ccc(cc1)[*:1] Cn1nc(ccc1=O)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
O=C(CCc1nc[nH]n1)NN1Cc2ccccc2C1 c1nc(C[*:1])n[nH]1 O=C(C[*:1])NN1Cc2ccccc2C1
O=C(CCc1nc[nH]n1)NN1Cc2ccccc2C1 c1nc(n[nH]1)[*:1] O=C(CC[*:1])NN1Cc2ccccc2C1
COC(=O)c1ccc(COc2cc(N)ccc2C)nc1 COC(=O)[*:1] Cc1ccc(N)cc1OCc1ccc(cn1)[*:1]
O=C(c1ccn(C(=O)c2ccc([N+](=O)[O-])cc2)n1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])n1ccc(n1)[*:1]
O=C(c1ccn(C(=O)c2ccc([N+](=O)[O-])cc2)n1)N1CCCCC1 O=[N+]([O-])[*:1] O=C(c1ccn(n1)C(=O)c1ccc(cc1)[*:1])N1CCCCC1
C/C=C/C[S@@](=O)CCC(=O)N[C@@H](C)c1ccccc1 CC=C[*:1] C[C@H](NC(=O)CC[S@](=O)C[*:1])c1ccccc1
C/C=C/C[S@@](=O)CCC(=O)N[C@@H](C)c1ccccc1 C/C=C/C[*:1] C[C@H](NC(=O)CC[S@](=O)[*:1])c1ccccc1
C/C=C/C[S@@](=O)CCC(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C/C=C/C[S@@](=O)CCC(=O)N[C@@H](C)[*:1]
CC(C)CNS(=O)(=O)N(C)CCC#N N#CCC[*:1] CC(C)CNS(=O)(=O)N(C)[*:1]
CC(C)CNS(=O)(=O)N(C)CCC#N N#CC[*:1] CC(C)CNS(=O)(=O)N(C)C[*:1]
CC(C)CNS(=O)(=O)N(C)CCC#N CC(C)C[*:1] CN(CCC#N)S(=O)(=O)N[*:1]
CC(C)CNS(=O)(=O)N(C)CCC#N CC(C)[*:1] CN(CCC#N)S(=O)(=O)NC[*:1]
CCCn1ccc2cc(NC(=O)c3sccc3S(=O)(=O)N3CCCCC3)ccc21 CCC[*:1] O=C(Nc1ccc2c(ccn2[*:1])c1)c1sccc1S(=O)(=O)N1CCCCC1
CCCn1ccc2cc(NC(=O)c3sccc3S(=O)(=O)N3CCCCC3)ccc21 O=S(=O)(N1CCCCC1)[*:1] CCCn1ccc2cc(ccc21)NC(=O)c1sccc1[*:1]
CC[C@H](CCNC(=O)Nc1cccc(C#N)c1)NC(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC[C@H](CCNC(=O)N[*:1])NC(=O)Nc1cccc(C#N)c1
CC[C@H](CCNC(=O)Nc1cccc(C#N)c1)NC(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC[C@H](CCNC(=O)Nc1cccc(C#N)c1)NC(=O)N[*:1]
Cc1cc(F)cc2c(N3CC[C@@](O)(C(F)(F)F)C3)c(C#N)cnc12 FC(F)(F)[*:1] Cc1cc(F)cc2c(c(C#N)cnc12)N1CC[C@@](O)(C1)[*:1]
COc1ccc(Cl)cc1N(C)C(=O)Cc1cccs1 c1csc(c1)C[*:1] COc1ccc(Cl)cc1N(C)C(=O)[*:1]
COc1ccc(Cl)cc1N(C)C(=O)Cc1cccs1 c1csc(c1)[*:1] COc1ccc(Cl)cc1N(C)C(=O)C[*:1]
COc1ccc(-n2nc(SCC(=O)Nc3ccc(C)cc3Cl)ccc2=O)cc1 Cc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)-n1nc(ccc1=O)SCC(=O)N[*:1]
COc1ccc(-n2nc(SCC(=O)Nc3ccc(C)cc3Cl)ccc2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CSc2ccc(=O)n(n2)[*:1])c(Cl)c1
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)C1 O=C(C[*:1])N1CCSCC1 C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Nc1ccc(cc1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)C1 O=C(N1CCSCC1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Nc1ccc(cc1)C[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)cc1 c1cnc(cn1)O[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)cc1 c1cnc(cn1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N1CCC(CC1)O[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)cc1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC(CC1)Oc1cnccn1
CC(C)c1ccc(C[C@H](C)[NH2+]C2CCN(c3nccs3)CC2)cc1 CC(C)[*:1] C[C@@H](Cc1ccc(cc1)[*:1])[NH2+]C1CCN(CC1)c1nccs1
CC(C)c1ccc(C[C@H](C)[NH2+]C2CCN(c3nccs3)CC2)cc1 c1csc(n1)[*:1] CC(C)c1ccc(cc1)C[C@H](C)[NH2+]C1CCN(CC1)[*:1]
Cn1cnnc1COc1cccc(C(=O)NCc2ccccc2)c1 Cn1cnnc1CO[*:1] O=C(NCc1ccccc1)c1cccc(c1)[*:1]
Cn1cnnc1COc1cccc(C(=O)NCc2ccccc2)c1 Cn1cnnc1[*:1] O=C(NCc1ccccc1)c1cccc(c1)OC[*:1]
Cn1cnnc1COc1cccc(C(=O)NCc2ccccc2)c1 Cn1cnnc1C[*:1] O=C(NCc1ccccc1)c1cccc(c1)O[*:1]
Cn1cnnc1COc1cccc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cn1cnnc1COc1cccc(c1)C(=O)N[*:1]
Cn1cnnc1COc1cccc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] Cn1cnnc1COc1cccc(c1)C(=O)NC[*:1]
COc1ccc([C@@H](C)NC(=O)N[C@@H](C)Cn2cccn2)c(OC)c1 c1cnn(c1)[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC(=O)N[C@@H](C)C[*:1]
COc1ccc([C@@H](C)NC(=O)N[C@@H](C)Cn2cccn2)c(OC)c1 C[C@@H](Cn1cccn1)[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC(=O)N[*:1]
COc1ccc([C@@H](C)NC(=O)N[C@@H](C)Cn2cccn2)c(OC)c1 c1cnn(c1)C[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC(=O)N[C@@H](C)[*:1]
NC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CC1 Brc1ccc(cc1)[*:1] NC(=O)N1CCCN(CC1)C(=O)c1ccc(s1)[*:1]
C[NH+](C)Cc1ccccc1[C@H]1N[C@@H](C(=O)[O-])C(C)(C)S1 O=C([O-])[*:1] C[NH+](C)Cc1ccccc1[C@H]1N[C@@H](C(C)(C)S1)[*:1]
CC(C)(C)c1ccc(OCCCCN2C(=O)C(=O)c3ccccc32)cc1 CC(C)(C)[*:1] O=C1C(=O)N(CCCCOc2ccc(cc2)[*:1])c2ccccc21
Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(F)cc2Cl)n1 Cc1nn(C)cc1[*:1] Cc1nn(C)cc1-c1cc(n(Cc2ccc(F)cc2Cl)n1)[*:1]
Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(F)cc2Cl)n1 Fc1ccc(C[*:1])c(Cl)c1 Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(n1)[*:1]
Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(F)cc2Cl)n1 Cc1nn(C)cc1[*:1] Cc1nn(C)cc1-c1cc(nn1Cc1ccc(F)cc1Cl)[*:1]
Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(F)cc2Cl)n1 Fc1ccc(c(Cl)c1)[*:1] Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(C[*:1])n1
C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C1)C[*:1]
CC[C@H](C)NC(=O)Cc1csc(Nc2ncccn2)n1 c1cnc(nc1)[*:1] CC[C@H](C)NC(=O)Cc1csc(n1)N[*:1]
CC[C@H](C)NC(=O)Cc1csc(Nc2ncccn2)n1 CC[C@H](C)[*:1] O=C(Cc1csc(n1)Nc1ncccn1)N[*:1]
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1F)c1ccc(C)cc1 Fc1ccccc1[*:1] COC(=O)[C@H](NC(=O)[C@H]1C[C@H]1[*:1])c1ccc(C)cc1
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1F)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1F)[*:1]
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1F)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1F)[*:1]
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCO2)cc1 C=CCNC(=O)[*:1] O=C(NC[C@H]1CCCO1)Nc1ccc(cc1)[*:1]
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCO2)cc1 C=CC[*:1] O=C(NC[C@H]1CCCO1)Nc1ccc(cc1)C(=O)N[*:1]
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)N[*:1]
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)NC[*:1]
O=C(CCSc1ccc(F)cc1)NNC(=O)NCc1ccncc1 c1cc(ccn1)C[*:1] O=C(CCSc1ccc(F)cc1)NNC(=O)N[*:1]
O=C(CCSc1ccc(F)cc1)NNC(=O)NCc1ccncc1 Fc1ccc(cc1)S[*:1] O=C(CC[*:1])NNC(=O)NCc1ccncc1
O=C(CCSc1ccc(F)cc1)NNC(=O)NCc1ccncc1 Fc1ccc(cc1)[*:1] O=C(CCS[*:1])NNC(=O)NCc1ccncc1
O=C(CCSc1ccc(F)cc1)NNC(=O)NCc1ccncc1 c1cc(ccn1)[*:1] O=C(CCSc1ccc(F)cc1)NNC(=O)NC[*:1]
COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F O=[N+]([O-])[*:1] COc1ccc(cc1F)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
CC[C@@H](C)[C@@H]([NH2+]C)c1ccncn1 CC[C@@H](C)[*:1] C[NH2+][C@@H](c1ccncn1)[*:1]
Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccccc1F)S2 Fc1ccccc1[*:1] Cc1nnc2S[C@H](C(=O)N[*:1])[C@H](Nn12)c1ccc(F)cc1
Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccccc1F)S2 Fc1ccc(cc1)[*:1] Cc1nnc2S[C@H](C(=O)Nc3ccccc3F)[C@@H](Nn12)[*:1]
CC[C@@H](Sc1c([O-])on[n+]1-c1ccc(OC)cc1)C(=O)Nc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CC[C@@H](Sc1c([O-])on[n+]1-c1ccc(cc1)OC)C(=O)N[*:1]
CC[C@@H](Sc1c([O-])on[n+]1-c1ccc(OC)cc1)C(=O)Nc1cc(C)ccc1C COc1ccc(cc1)[*:1] CC[C@@H](Sc1c([O-])on[n+]1[*:1])C(=O)Nc1cc(C)ccc1C
CCC([NH3+])(CC)C(=O)N[C@H](C)c1ccco1 c1coc(c1)[*:1] CCC([NH3+])(CC)C(=O)N[C@H](C)[*:1]
CCn1c(=O)oc2cc(-c3noc(COc4ccccc4)n3)ccc21 c1ccc(cc1)[*:1] CCn1c(=O)oc2cc(ccc21)-c1noc(CO[*:1])n1
CCn1c(=O)oc2cc(-c3noc(COc4ccccc4)n3)ccc21 c1ccc(cc1)O[*:1] CCn1c(=O)oc2cc(ccc21)-c1noc(C[*:1])n1
CCn1c(=O)oc2cc(-c3noc(COc4ccccc4)n3)ccc21 c1ccc(cc1)OC[*:1] CCn1c(=O)oc2cc(ccc21)-c1noc(n1)[*:1]
CC(C)CCNC(=O)[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1cccc(F)c1 CC(C)[*:1] CC(C)(C)CC(=O)N1C[C@@H](C(=O)NCC[*:1])[C@@H](C1)c1cccc(F)c1
CC(C)CCNC(=O)[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1cccc(F)c1 CC(C)CC[*:1] CC(C)(C)CC(=O)N1C[C@@H](C(=O)N[*:1])[C@@H](C1)c1cccc(F)c1
CC(C)CCNC(=O)[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1cccc(F)c1 CC(C)(C)C[*:1] CC(C)CCNC(=O)[C@@H]1CN(C[C@H]1c1cccc(F)c1)C(=O)[*:1]
CC(C)CCNC(=O)[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)CCNC(=O)[C@@H]1CN(C[C@@H]1[*:1])C(=O)CC(C)(C)C
CC(C)CCNC(=O)[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1cccc(F)c1 CC(C)(C)[*:1] CC(C)CCNC(=O)[C@@H]1CN(C[C@H]1c1cccc(F)c1)C(=O)C[*:1]
CC(C)CCNC(=O)[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1cccc(F)c1 CC(C)CCNC(=O)[*:1] CC(C)(C)CC(=O)N1C[C@H]([C@@H](C1)c1cccc(F)c1)[*:1]
CC(C)CCNC(=O)[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1cccc(F)c1 CC(C)C[*:1] CC(C)(C)CC(=O)N1C[C@@H](C(=O)NC[*:1])[C@@H](C1)c1cccc(F)c1
CCCN1C(N)=[NH+]C[C@@H]1c1ccc(Cl)cc1 CCC[*:1] NC1=[NH+]C[C@H](c2ccc(Cl)cc2)N1[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N(C[*:1])C1CC1
O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)C1CC1 Fc1ccc(cc1)C[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N(C1CC1)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)C1CC1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])N(Cc1ccc(F)cc1)C1CC1
O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)C1CC1 C1CC1[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N(Cc1ccc(F)cc1)[*:1]
C=CC(=O)N[C@H](C)c1nc2ccccc2n1CC(=O)N1CCC(C)CC1 C=CC(=O)N[*:1] CC1CCN(CC1)C(=O)Cn1c(nc2ccccc21)[C@@H](C)[*:1]
Cc1ccsc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 Cc1ccsc1[*:1] O=C(NC[*:1])[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1
COC(=O)c1ccc(OCc2nc3ccccc3n2C(F)F)cc1 COC(=O)[*:1] FC(F)n1c(COc2ccc(cc2)[*:1])nc2ccccc21
COC(=O)c1ccc(OCc2nc3ccccc3n2C(F)F)cc1 FC(F)[*:1] COC(=O)c1ccc(cc1)OCc1nc2ccccc2n1[*:1]
COc1ccc(CN(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1F O=[N+]([O-])[*:1] COc1ccc(cc1F)CN(C)C(=O)c1ccc(N)c(c1)[*:1]
Cc1ccc(C(=O)N/N=C/[C@@H](C)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)N/N=C/[C@@H](C)[*:1])c(C)c1
COc1cc2c(cc1OC)CCN(C(=O)c1cnn(C)c1C)CC2 Cc1c(cnn1C)[*:1] COc1cc2CCN(CCc2cc1OC)C(=O)[*:1]
Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 Cc1ccccc1[*:1] O=C([C@@H]1C[C@H]1[*:1])N1CC[NH+](CC1)C1CC1
Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 C1CC1[*:1] Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](CC1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](N[C@@H](CC2CCCCC2)c2ncccn2)C1 c1cnc(nc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)N[C@@H](CC1CCCCC1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](N[C@@H](CC2CCCCC2)c2ncccn2)C1 C1CCC(CC1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)N[C@@H](C[*:1])c1ncccn1
C[NH+](C)[C@@H]1CC[C@@H](N[C@@H](CC2CCCCC2)c2ncccn2)C1 C1CCC(CC1)C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)N[C@@H](c1ncccn1)[*:1]
CC(=O)Nc1cccc(N[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])N[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1
CC(=O)Nc1cccc(N[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1C C[C@@H](c1ccccc1)[*:1] CC(=O)Nc1cccc(N[C@@H](C)C(=O)NC[*:1])c1C
CC(=O)Nc1cccc(N[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1C c1ccc(cc1)[*:1] CC(=O)Nc1cccc(N[C@@H](C)C(=O)NC[C@@H](C)[*:1])c1C
Cc1nc(C/C([O-])=N/S(=O)(=O)c2ccc3c(c2)CCC3)cs1 Cc1nc(cs1)[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1ccc2CCCc2c1
Cc1nc(C/C([O-])=N/S(=O)(=O)c2ccc3c(c2)CCC3)cs1 Cc1nc(cs1)C[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1ccc2CCCc2c1
COc1cnc(N2CCN(c3cccnc3)CC2)nc1 c1cncc(c1)[*:1] COc1cnc(nc1)N1CCN(CC1)[*:1]
O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccno1 c1cc(on1)[*:1] O=C(Nc1nnc(o1)-c1ccc2CCCCc2c1)[*:1]
COCCNC(=O)/C(C#N)=C/C(C)=C/c1ccccc1 COCC[*:1] CC(=C\c1ccccc1)/C=C(\C#N)C(=O)N[*:1]
COCCNC(=O)/C(C#N)=C/C(C)=C/c1ccccc1 c1ccc(cc1)[*:1] COCCNC(=O)/C(C#N)=C/C(/C)=C[*:1]
COCCNC(=O)/C(C#N)=C/C(C)=C/c1ccccc1 COC[*:1] CC(=C\c1ccccc1)/C=C(\C#N)C(=O)NC[*:1]
CCCNC(=O)c1cccc(C(=O)N[C@H](C)c2nc(C)cs2)c1 Cc1csc(n1)[*:1] CCCNC(=O)c1cccc(c1)C(=O)N[C@H](C)[*:1]
CCCNC(=O)c1cccc(C(=O)N[C@H](C)c2nc(C)cs2)c1 CCC[*:1] Cc1csc(n1)[C@@H](C)NC(=O)c1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(C(=O)N[C@H](C)c2nc(C)cs2)c1 CCCNC(=O)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)c1cccc(c1)[*:1]
CCCOCC(=O)Nc1nc2c(s1)C(=O)CCC2 CCCO[*:1] O=C(C[*:1])Nc1nc2CCCC(=O)c2s1
CCCOCC(=O)Nc1nc2c(s1)C(=O)CCC2 CCC[*:1] O=C(CO[*:1])Nc1nc2CCCC(=O)c2s1
CCCOCC(=O)Nc1nc2c(s1)C(=O)CCC2 CCCOC[*:1] O=C1CCCc2nc(NC(=O)[*:1])sc21
O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)NCC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1csc(n1)NC(=O)N[*:1])NCC1CCCCC1
O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)NCC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1csc(n1)NC(=O)NC1CCCCC1)NC[*:1]
O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)NCC1CCCCC1 C1CCC(CC1)C[*:1] O=C(Cc1csc(n1)NC(=O)NC1CCCCC1)N[*:1]
CC(C)[C@@H]1SC(N/N=C/c2ccc3c(c2)OCO3)=NC1=O CC(C)[*:1] O=C1N=C(N/N=C/c2ccc3OCOc3c2)S[C@H]1[*:1]
CSc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 CC(C)c1ccc(cc1)[*:1] CSc1nc2NC3CC(C)(C)CC(=O)C=3[C@@H](n2n1)[*:1]
CSc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 CC(C)[*:1] CSc1nc2NC3CC(C)(C)CC(=O)C=3[C@@H](c3ccc(cc3)[*:1])n2n1
Cc1cccc([C@H]2CCCCCN2C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 Cc1cccc(c1)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)N1CCCCC[C@@H]1[*:1]
COc1cc(NC(=O)c2cnc(C)cn2)ccc1NC(=O)C1CCCCC1 Cc1cnc(cn1)[*:1] COc1cc(ccc1NC(=O)C1CCCCC1)NC(=O)[*:1]
COc1cc(NC(=O)c2cnc(C)cn2)ccc1NC(=O)C1CCCCC1 O=C(N[*:1])C1CCCCC1 COc1cc(ccc1[*:1])NC(=O)c1cnc(C)cn1
COc1cc(NC(=O)c2cnc(C)cn2)ccc1NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)c1cnc(C)cn1
Cc1cccc(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)c1C CN(C)C(=O)C[*:1] Cc1cccc(C(=O)NCc2cccc(c2)O[*:1])c1C
Cc1cccc(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)c1C CN(C)C(=O)CO[*:1] Cc1cccc(C(=O)NCc2cccc(c2)[*:1])c1C
Cc1cccc(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)c1C CN(C)C(=O)[*:1] Cc1cccc(C(=O)NCc2cccc(c2)OC[*:1])c1C
Cc1cccc(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)c1C Cc1cccc(c1C)[*:1] CN(C)C(=O)COc1cccc(c1)CNC(=O)[*:1]
CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 CCOc1ccc(cc1)[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1ccc(cc1)C(=O)N[*:1]
CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 CCO[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2ccc(F)cc2)C1 C1CCN(CC1)[*:1] OC1C[C@H](c2ccc(F)cc2)c2sc(nc2N=1)[*:1]
OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] OC1C[C@H](c2sc(nc2N=1)N1CCCCC1)[*:1]
CO[C@@H](C(=O)NCc1cnn(Cc2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)NCc1cnn(c1)Cc1ccccc1)[*:1]
CO[C@@H](C(=O)NCc1cnn(Cc2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)NCc1cnn(c1)C[*:1])c1ccccc1
CO[C@@H](C(=O)NCc1cnn(Cc2ccccc2)c1)c1ccccc1 c1ccc(cc1)C[*:1] CO[C@@H](C(=O)NCc1cnn(c1)[*:1])c1ccccc1
Cn1nc2n(c1=O)CCN(Cc1ccc(C(F)(F)F)cc1)C2 FC(F)(F)[*:1] Cn1nc2CN(CCn2c1=O)Cc1ccc(cc1)[*:1]
C=CCn1c(C)nnc1SCC(=O)NC(C)C C=CC[*:1] Cc1nnc(SCC(=O)NC(C)C)n1[*:1]
C=CCn1c(C)nnc1SCC(=O)NC(C)C CC(C)[*:1] C=CCn1c(C)nnc1SCC(=O)N[*:1]
CCc1c2c(nc3cc(C(=O)N4CCCCC4)[n-]c13)CCCC2=O O=C(N1CCCCC1)[*:1] CCc1c2C(=O)CCCc2nc2cc([n-]c12)[*:1]
Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1F C1CN(CCO1)C[*:1] Cc1ccc(cc1F)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1F Cc1ccc(cc1F)[*:1] O=C(N[*:1])c1ccc(cc1)CN1CCOCC1
Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1F C1CN(CCO1)[*:1] Cc1ccc(cc1F)NC(=O)c1ccc(cc1)C[*:1]
CSCCn1/c(=N/C(=O)C2=COCCO2)sc2cc(C)ccc21 CSCC[*:1] Cc1ccc2c(c1)s/c(=N\C(=O)C1=COCCO1)n2[*:1]
CSCCn1/c(=N/C(=O)C2=COCCO2)sc2cc(C)ccc21 CSC[*:1] Cc1ccc2c(c1)s/c(=N\C(=O)C1=COCCO1)n2C[*:1]
CC[NH+](CC)C[C@@H](C)NC1=[NH+]CCCC1 CC[NH+](CC)[*:1] C[C@H](C[*:1])NC1CCCC[NH+]=1
CCc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)sc1C CCc1cc(sc1C)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccco1
CCc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)sc1C c1coc(c1)[*:1] CCc1cc(sc1C)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)sc1C O=C(N[*:1])c1ccco1 CCc1cc(sc1C)C(=O)Nc1ccc(cc1)[*:1]
CCN(CC#N)CCC(=O)Nc1cccc([N+](=O)[O-])c1C N#CC[*:1] CCN(CCC(=O)Nc1cccc(c1C)[N+](=O)[O-])[*:1]
CCN(CC#N)CCC(=O)Nc1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CCN(CC#N)CCC(=O)Nc1cccc(c1C)[*:1]
CCN(CC#N)CCC(=O)Nc1cccc([N+](=O)[O-])c1C CCN(CC#N)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)CC[*:1]
CCN(CC#N)CCC(=O)Nc1cccc([N+](=O)[O-])c1C CCN(CC#N)C[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)C[*:1]
CN(CCc1cnn(C)c1)[C@H](C(N)=O)c1cccc(F)c1 Cn1cc(cn1)C[*:1] CN(C[*:1])[C@H](C(N)=O)c1cccc(F)c1
CN(CCc1cnn(C)c1)[C@H](C(N)=O)c1cccc(F)c1 NC(=O)[*:1] CN(CCc1cnn(C)c1)[C@H](c1cccc(F)c1)[*:1]
CN(CCc1cnn(C)c1)[C@H](C(N)=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(CCc1cnn(C)c1)[C@H](C(N)=O)[*:1]
CN(CCc1cnn(C)c1)[C@H](C(N)=O)c1cccc(F)c1 Cn1cc(cn1)[*:1] CN(CC[*:1])[C@H](C(N)=O)c1cccc(F)c1
C[C@@H]1C[C@@H]1[C@H](NC(=O)NCC1([O-])CCC1)c1ccc(Cl)cc1 C[C@@H]1C[C@H]1[*:1] O=C(NCC1([O-])CCC1)N[C@H](c1ccc(Cl)cc1)[*:1]
C[C@@H]1C[C@@H]1[C@H](NC(=O)NCC1([O-])CCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1[C@H](NC(=O)NCC1([O-])CCC1)[*:1]
COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(C(C)=O)c(C)c1)CO2 CC(=O)[*:1] COc1ccc2OC[C@@H](Cc2c1)C(=O)Nc1ccc(c(C)c1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)COc2ncnc3ccc(Br)cc23)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)COc1ncnc2ccc(Br)cc12)[*:1]
C[NH+](C)Cc1ccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1 C1CC1[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)Nc1ccc2nc(oc2c1)[*:1]
CC[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] CC[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)[*:1]
Cn1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2c1NC(=O)C[C@H]2c1ccccc1 O=[N+]([O-])[*:1] Cn1nc(NC(=O)c2ccc(Cl)c(c2)[*:1])c2c1NC(=O)C[C@H]2c1ccccc1
Cn1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2c1NC(=O)C[C@H]2c1ccccc1 c1ccc(cc1)[*:1] Cn1nc(NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])c2c1NC(=O)C[C@@H]2[*:1]
Cn1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2c1NC(=O)C[C@H]2c1ccccc1 O=[N+]([O-])c1cc(ccc1Cl)[*:1] Cn1nc(NC(=O)[*:1])c2c1NC(=O)C[C@H]2c1ccccc1
CNS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2NC(C)C)o1 CNS(=O)(=O)[*:1] CC(C)Nc1ccc(F)cc1NC(=O)c1ccc(o1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2NC(C)C)o1 CC(C)N[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)Nc1cc(F)ccc1[*:1]
CNS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2NC(C)C)o1 CC(C)[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)Nc1cc(F)ccc1N[*:1]
O=C1CNC(=O)N1CCSCc1nc(-c2ccco2)no1 O=C1CNC(=O)N1[*:1] c1coc(c1)-c1noc(CSCC[*:1])n1
O=C1CNC(=O)N1CCSCc1nc(-c2ccco2)no1 c1coc(c1)[*:1] O=C1CNC(=O)N1CCSCc1nc(no1)[*:1]
COc1cccc([C@@H](CO)NC(=O)c2ccnc(N(C)C)c2)c1 CN(C)[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)c1ccnc(c1)[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)s1 CCc1nnc(s1)[*:1] CC(C)c1ccc(cc1)[C@@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)s1 CC(C)c1ccc(cc1)[*:1] CCc1nnc(s1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)s1 CC(C)[*:1] CCc1nnc(s1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(cc1)[*:1]
C[C@H]1CCC[C@]([C@H](O)c2ccoc2)([NH+](C)C)C1 c1cc(co1)[*:1] C[C@H]1CCC[C@](C1)([C@H](O)[*:1])[NH+](C)C
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@@H](C)CSC)C2)c1 CSC[C@H](C)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@@H](C)CSC)C2)c1 CSC[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)[C@@H](C)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@@H](C)CSC)C2)c1 CCOC(=O)[*:1] CSC[C@H](C)C(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 C1CC1[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(O[C@@H](C)C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 O=S1(=O)CC[C@H](C1)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N(C1CC1)[*:1]
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 O=[N+]([O-])c1cc(ccc1Cl)[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)S/C(=C/c2ccc(o2)[*:1])C1=O
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 Cc1cccc(c1)NC(=O)[*:1] O=C1S/C(=C/c2ccc(o2)-c2ccc(Cl)c(c2)[N+](=O)[O-])C(=O)N1C[*:1]
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 Cc1cccc(c1)NC(=O)C[*:1] O=C1S/C(=C/c2ccc(o2)-c2ccc(Cl)c(c2)[N+](=O)[O-])C(=O)N1[*:1]
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 Cc1cccc(c1)[*:1] O=C(CN1C(=O)S/C(=C/c2ccc(o2)-c2ccc(Cl)c(c2)[N+](=O)[O-])C1=O)N[*:1]
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)S/C(=C/c2ccc(o2)-c2ccc(Cl)c(c2)[*:1])C1=O
CCC1(CC)[C@@H](N/C(N)=[NH+]/C2CC2)[C@@H](C)[C@@H]1OC C1CC1[*:1] CCC1(CC)[C@@H](NC(N)=[NH+][*:1])[C@@H](C)[C@@H]1OC
CNC(=O)[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)[C@H]1CCCN1C(=O)CC[NH+]1CCN(CC1)[*:1]
CNC(=O)[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 CNC(=O)[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccc1)N1CCC[C@@H]1[*:1]
CCOc1ccc(C)cc1[C@@H](O)c1cscc1C CCO[*:1] Cc1ccc(c(c1)[C@@H](O)c1cscc1C)[*:1]
CCOc1ccc(C)cc1[C@@H](O)c1cscc1C Cc1cscc1[*:1] CCOc1ccc(C)cc1[C@@H](O)[*:1]
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CC2CCC2)C1 C1CC(C1)[*:1] O=C(c1ccc(F)cc1)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CC2CCC2)C1 Fc1ccc(cc1)[*:1] O=C(CC1CCC1)N1CCC[C@@H](C1)C(=O)[*:1]
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CC2CCC2)C1 C1CC(C1)C[*:1] O=C(c1ccc(F)cc1)[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/[C@@H]2CCS(=O)(=O)C2)cc1Br c1ccc(cc1)[*:1] COc1ccc(cc1Br)-c1nn(cc1/C=N/[C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/[C@@H]2CCS(=O)(=O)C2)cc1Br COc1ccc(cc1Br)[*:1] O=S1(=O)CC[C@H](C1)/N=C/c1cn(nc1[*:1])-c1ccccc1
Cc1nc(-c2ccc(CNC(=O)NNC(=O)c3csc(N4CCOCC4)n3)o2)cs1 Cc1nc(cs1)[*:1] O=C(NCc1ccc(o1)[*:1])NNC(=O)c1csc(n1)N1CCOCC1
Cc1nc(-c2ccc(CNC(=O)NNC(=O)c3csc(N4CCOCC4)n3)o2)cs1 C1CN(CCO1)[*:1] Cc1nc(cs1)-c1ccc(CNC(=O)NNC(=O)c2csc(n2)[*:1])o1
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)o2)sc2c1CC[C@H](CC)C2 Cc1ccc(o1)[*:1] CCOC(=O)c1c(NC(=O)C(C#N)=C[*:1])sc2C[C@@H](CC)CCc21
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)o2)sc2c1CC[C@H](CC)C2 CCOC(=O)[*:1] CC[C@H]1CCc2c(C1)sc(NC(=O)/C(C#N)=C/c1ccc(C)o1)c2[*:1]
CCNC(=O)NC1(C(=O)NC[C@@H](C)N2CCOCC2)CCCC1 CCNC(=O)N[*:1] C[C@H](CNC(=O)C1(CCCC1)[*:1])N1CCOCC1
CCNC(=O)NC1(C(=O)NC[C@@H](C)N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] CCNC(=O)NC1(CCCC1)C(=O)NC[C@@H](C)[*:1]
O=C1c2ccc3c4c(ccc(c24)C(=O)N1Cc1ccccc1)CC3 c1ccc(cc1)C[*:1] O=C1c2ccc3CCc4ccc(C(=O)N1[*:1])c2c34
O=C1c2ccc3c4c(ccc(c24)C(=O)N1Cc1ccccc1)CC3 c1ccc(cc1)[*:1] O=C1c2ccc3CCc4ccc(C(=O)N1C[*:1])c2c34
C[C@@H](CCO)CNc1ncnc2ccc(F)cc12 C[C@@H](CCO)C[*:1] Fc1ccc2ncnc(N[*:1])c2c1
C[C@@H](CCO)CNc1ncnc2ccc(F)cc12 C[C@@H](CCO)[*:1] Fc1ccc2ncnc(NC[*:1])c2c1
C[C@@H](CCO)CNc1ncnc2ccc(F)cc12 OCC[*:1] C[C@@H](CNc1ncnc2ccc(F)cc12)[*:1]
CCc1ccccc1NC(=O)N(C)CC1CCCCC1 C1CCC(CC1)[*:1] CCc1ccccc1NC(=O)N(C)C[*:1]
CC(C)Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 c1ccc(cc1)[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nnc(s1)C(=O)N[*:1]
CC(C)Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 CC(C)C[*:1] O=C(Nc1ccccc1)c1nnc(s1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 CC(C)Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1nnc(s1)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 O=C(Nc1ccccc1)[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nnc(s1)[*:1]
CC(C)Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 CC(C)[*:1] O=C(Nc1ccccc1)c1nnc(s1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C[*:1]
Cc1nc(-c2cccnc2)sc1[C@@H](C)NC[C@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] Cc1nc(sc1[C@@H](C)NC[C@H](C)[*:1])-c1cccnc1
Cc1nc(-c2cccnc2)sc1[C@@H](C)NC[C@H](C)c1c(C)noc1C c1cncc(c1)[*:1] Cc1nc(sc1[C@@H](C)NC[C@H](C)c1c(C)noc1C)[*:1]
O=C(c1ccco1)N1CCN([C@H](c2ccccn2)c2nnnn2C2CCCC2)CC1 C1CCC(C1)n1nnnc1[*:1] O=C(c1ccco1)N1CCN(CC1)[C@H](c1ccccn1)[*:1]
O=C(c1ccco1)N1CCN([C@H](c2ccccn2)c2nnnn2C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(c1ccco1)N1CCN(CC1)[C@H](c1ccccn1)c1nnnn1[*:1]
O=C(c1ccco1)N1CCN([C@H](c2ccccn2)c2nnnn2C2CCCC2)CC1 c1ccc(nc1)[*:1] O=C(c1ccco1)N1CCN(CC1)[C@H](c1nnnn1C1CCCC1)[*:1]
O=C(c1ccco1)N1CCN([C@H](c2ccccn2)c2nnnn2C2CCCC2)CC1 c1coc(c1)[*:1] O=C(N1CCN(CC1)[C@H](c1ccccn1)c1nnnn1C1CCCC1)[*:1]
Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)c1 Cc1cccc(c1)[*:1] Cc1ccccc1Cn1cc(ccc1=O)C(=O)N[*:1]
Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)c1 Cc1ccccc1[*:1] Cc1cccc(c1)NC(=O)c1ccc(=O)n(c1)C[*:1]
Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)c1 Cc1ccccc1C[*:1] Cc1cccc(c1)NC(=O)c1ccc(=O)n(c1)[*:1]
COC(=O)c1ccc2c(=O)n(N)c(SCc3ccncc3)nc2c1 c1cc(ccn1)CS[*:1] COC(=O)c1ccc2c(=O)n(N)c(nc2c1)[*:1]
COC(=O)c1ccc2c(=O)n(N)c(SCc3ccncc3)nc2c1 c1cc(ccn1)[*:1] COC(=O)c1ccc2c(=O)n(N)c(nc2c1)SC[*:1]
COC(=O)c1ccc2c(=O)n(N)c(SCc3ccncc3)nc2c1 c1cc(ccn1)C[*:1] COC(=O)c1ccc2c(=O)n(N)c(nc2c1)S[*:1]
COC(=O)c1ccc2c(=O)n(N)c(SCc3ccncc3)nc2c1 COC(=O)[*:1] Nn1c(nc2cc(ccc2c1=O)[*:1])SCc1ccncc1
C[C@@H](CNc1nccc2occc12)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNc1nccc2occc12)c1nc(no1)[*:1]
CC1=N[C@H](C(=O)N2CCC(CC(=O)NCCC(C)C)CC2)C(C)=C1C CC(C)C[*:1] CC1=N[C@H](C(=O)N2CCC(CC2)CC(=O)NC[*:1])C(C)=C1C
CC1=N[C@H](C(=O)N2CCC(CC(=O)NCCC(C)C)CC2)C(C)=C1C CC(C)CC[*:1] CC1=N[C@H](C(=O)N2CCC(CC2)CC(=O)N[*:1])C(C)=C1C
CC1=N[C@H](C(=O)N2CCC(CC(=O)NCCC(C)C)CC2)C(C)=C1C CC(C)[*:1] CC1=N[C@H](C(=O)N2CCC(CC2)CC(=O)NCC[*:1])C(C)=C1C
CC1=N[C@H](C(=O)N2CCC(CC(=O)NCCC(C)C)CC2)C(C)=C1C CC(C)CCNC(=O)[*:1] CC1=N[C@H](C(=O)N2CCC(CC2)C[*:1])C(C)=C1C
CSc1ccc(C(=O)NCc2cn[nH]c2N)cc1 Nc1[nH]ncc1[*:1] CSc1ccc(cc1)C(=O)NC[*:1]
COc1ccc(-c2cc(=O)n(CCNC(=O)c3ccc[nH]c3=O)cn2)cc1 O=c1[nH]cccc1[*:1] COc1ccc(cc1)-c1cc(=O)n(cn1)CCNC(=O)[*:1]
COc1ccc(-c2cc(=O)n(CCNC(=O)c3ccc[nH]c3=O)cn2)cc1 COc1ccc(cc1)[*:1] O=C(NCCn1cnc(cc1=O)[*:1])c1ccc[nH]c1=O
CCONCc1cccnc1OC CCON[*:1] COc1ncccc1C[*:1]
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1nnc(COc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCCCC1)c1nnc(CO[*:1])s1
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1nnc(COc2ccc(F)cc2)s1 Fc1ccc(cc1)OC[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCCCC1)c1nnc(s1)[*:1]
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1nnc(COc2ccc(F)cc2)s1 Fc1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCCCC1)c1nnc(C[*:1])s1
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1nnc(COc2ccc(F)cc2)s1 O=C(N1CCCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1nnc(COc2ccc(F)cc2)s1
Cc1[nH]ncc1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 CC(C)(C)[C@@H](O)[*:1] Cc1[nH]ncc1C(=O)N1CCN(CC1)C[*:1]
Cc1[nH]ncc1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 Cc1[nH]ncc1[*:1] CC(C)(C)[C@@H](O)CN1CCN(CC1)C(=O)[*:1]
Cc1[nH]ncc1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 CC(C)(C)[*:1] Cc1[nH]ncc1C(=O)N1CCN(CC1)C[C@H](O)[*:1]
Cc1[nH]ncc1C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1 CC(C)(C)[C@@H](O)C[*:1] Cc1[nH]ncc1C(=O)N1CCN(CC1)[*:1]
Cc1cc(-c2cnc(NCCc3ccc(F)cc3)nc2[C@H]2CCCO2)on1 Fc1ccc(cc1)CC[*:1] Cc1cc(on1)-c1cnc(nc1[C@H]1CCCO1)N[*:1]
Cc1cc(-c2cnc(NCCc3ccc(F)cc3)nc2[C@H]2CCCO2)on1 Fc1ccc(cc1)C[*:1] Cc1cc(on1)-c1cnc(nc1[C@H]1CCCO1)NC[*:1]
Cc1cc(-c2cnc(NCCc3ccc(F)cc3)nc2[C@H]2CCCO2)on1 Fc1ccc(cc1)[*:1] Cc1cc(on1)-c1cnc(nc1[C@H]1CCCO1)NCC[*:1]
Cc1cc(-c2cnc(NCCc3ccc(F)cc3)nc2[C@H]2CCCO2)on1 Cc1cc(on1)[*:1] Fc1ccc(cc1)CCNc1ncc(c(n1)[C@H]1CCCO1)[*:1]
CCO[C@H](C)c1noc(COc2cccc([C@H](C)O)c2)n1 C[C@H](O)[*:1] CCO[C@H](C)c1noc(COc2cccc(c2)[*:1])n1
CCO[C@H](C)c1noc(COc2cccc([C@H](C)O)c2)n1 CCO[C@H](C)[*:1] C[C@H](O)c1cccc(c1)OCc1nc(no1)[*:1]
CCO[C@H](C)c1noc(COc2cccc([C@H](C)O)c2)n1 CCO[*:1] C[C@H](O)c1cccc(c1)OCc1nc(no1)[C@@H](C)[*:1]
CC(C)[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 CC(C)[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
CC(C)CCN(C1CCCC1)S(=O)(=O)c1cc(N)cs1 CC(C)CC[*:1] Nc1csc(c1)S(=O)(=O)N(C1CCCC1)[*:1]
CC(C)CCN(C1CCCC1)S(=O)(=O)c1cc(N)cs1 Nc1csc(c1)[*:1] CC(C)CCN(C1CCCC1)S(=O)(=O)[*:1]
CC(C)CCN(C1CCCC1)S(=O)(=O)c1cc(N)cs1 C1CCC(C1)[*:1] CC(C)CCN(S(=O)(=O)c1cc(N)cs1)[*:1]
CC(C)CCN(C1CCCC1)S(=O)(=O)c1cc(N)cs1 CC(C)[*:1] Nc1csc(c1)S(=O)(=O)N(CC[*:1])C1CCCC1
CC(C)CCN(C1CCCC1)S(=O)(=O)c1cc(N)cs1 CC(C)C[*:1] Nc1csc(c1)S(=O)(=O)N(C[*:1])C1CCCC1
Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H]1CCCC[C@H]1C c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)N[C@@H]1CCCC[C@H]1C)[*:1]
CNC(=O)Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(OC)c2)cc1 CNC(=O)[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)Nc1ccc(cc1)C[*:1]
CNC(=O)Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(OC)c2)cc1 CNC(=O)C[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(OC)c2)cc1 COc1cccc(c1)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)N1CCC[C@H]1[*:1]
CCOC(=O)C1(C)CCN(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2)CC1 CCOC(=O)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)N1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)N[C@H]1C[C@@H](C)N(C1)[*:1]
CCOC(=O)CN(C(=O)Cn1nc2ccccn2c1=O)c1ccccc1 CCOC(=O)[*:1] O=C(Cn1nc2ccccn2c1=O)N(C[*:1])c1ccccc1
CCOC(=O)CN(C(=O)Cn1nc2ccccn2c1=O)c1ccccc1 CCOC(=O)C[*:1] O=C(Cn1nc2ccccn2c1=O)N(c1ccccc1)[*:1]
CCOC(=O)CN(C(=O)Cn1nc2ccccn2c1=O)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)CN(C(=O)Cn1nc2ccccn2c1=O)[*:1]
Cc1ccc2cc3c([nH+]c2c1)N(c1ccccc1)CC3 c1ccc(cc1)[*:1] Cc1ccc2cc3CCN(c3[nH+]c2c1)[*:1]
Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3ccc(O)c(F)c3)[nH]c2c1 Oc1ccc(cc1F)[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)C[*:1]
CC(C)c1ccc(OCC(=O)NNC(=O)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)c1ccc(cc1)OCC(=O)NNC(=O)[*:1]
CC(C)c1ccc(OCC(=O)NNC(=O)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)OCC(=O)NNC(=O)C[*:1]
CC(C)c1ccc(OCC(=O)NNC(=O)Cc2ccccc2)cc1 CC(C)[*:1] O=C(COc1ccc(cc1)[*:1])NNC(=O)Cc1ccccc1
CCN(C1CCN(C(=O)NCc2ccc3ccccc3c2)CC1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] O=C(NCc1ccc2ccccc2c1)N1CCC(CC1)[*:1]
N#CCc1c(Br)cccc1Br N#CC[*:1] Brc1cccc(Br)c1[*:1]
CN(C)[C@@H]1CC[C@@H](NCc2cc(Br)ccc2[N+](=O)[O-])C1 CN(C)[*:1] O=[N+]([O-])c1ccc(Br)cc1CN[C@@H]1CC[C@H](C1)[*:1]
CN(C)[C@@H]1CC[C@@H](NCc2cc(Br)ccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CN(C)[C@@H]1CC[C@H](C1)NCc1cc(Br)ccc1[*:1]
Cc1cc(-c2cc(=O)n(Cc3ccc(F)cc3)nc2-c2cccs2)on1 c1csc(c1)[*:1] Cc1cc(on1)-c1cc(=O)n(Cc2ccc(F)cc2)nc1[*:1]
Cc1cc(-c2cc(=O)n(Cc3ccc(F)cc3)nc2-c2cccs2)on1 Cc1cc(on1)[*:1] O=c1cc(c(nn1Cc1ccc(F)cc1)-c1cccs1)[*:1]
Cc1cc(-c2cc(=O)n(Cc3ccc(F)cc3)nc2-c2cccs2)on1 Fc1ccc(cc1)C[*:1] Cc1cc(on1)-c1cc(=O)n(nc1-c1cccs1)[*:1]
Cc1cc(-c2cc(=O)n(Cc3ccc(F)cc3)nc2-c2cccs2)on1 Fc1ccc(cc1)[*:1] Cc1cc(on1)-c1cc(=O)n(C[*:1])nc1-c1cccs1
O=C1/C(=C/NNc2nc3ccccc3s2)c2ccccc2C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1/C(=C/NNc2nc3ccccc3s2)c2ccccc2C(=O)N1[*:1]
O=C1/C(=C/NNc2nc3ccccc3s2)c2ccccc2C(=O)N1c1ccccc1 c1ccc2sc(nc2c1)[*:1] O=C1/C(=C/NN[*:1])c2ccccc2C(=O)N1c1ccccc1
CCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 CCO[*:1] O=C(Nc1ccc(Cl)c(c1)C(=O)[O-])c1cccc(c1)[*:1]
CCOc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] CCOc1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
C[C@@H]1CC(C)(C)N(C(=O)c2cccs2)c2ccc(O)cc21 c1csc(c1)[*:1] C[C@@H]1CC(C)(C)N(C(=O)[*:1])c2ccc(O)cc21
COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1 c1cc2OCOc2cc1[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1 COc1ccc(OC)c(c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCC[C@@H]2[*:1])C1=O)c1ccc2OCOc2c1
CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21 CCC[*:1] CC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21 CC(C)C(=O)N[*:1] CCCN1C(=O)CCc2cc(ccc21)NS(=O)(=O)c1ccc(cc1)[*:1]
CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21 CC(C)[*:1] CCCN1C(=O)CCc2cc(ccc21)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CCN(Cc1ccccn1)S(=O)(=O)c1ccccc1N c1ccc(nc1)[*:1] CCN(C[*:1])S(=O)(=O)c1ccccc1N
COc1cccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)CNC(=O)CSc1ccc(cc1)[*:1]
CCNc1ncc(COc2ccc(C)cc2Br)s1 CCN[*:1] Cc1ccc(OCc2cnc(s2)[*:1])c(Br)c1
Cc1ccc(NC(=O)CSCC(F)(F)F)nc1 FC(F)(F)C[*:1] Cc1ccc(nc1)NC(=O)CS[*:1]
Cc1ccc(NC(=O)CSCC(F)(F)F)nc1 FC(F)(F)[*:1] Cc1ccc(nc1)NC(=O)CSC[*:1]
CC(C)COC1CC[NH+](Cc2nnnn2C2CC2)CC1 CC(C)C[*:1] C1C[NH+](CCC1O[*:1])Cc1nnnn1C1CC1
CC(C)COC1CC[NH+](Cc2nnnn2C2CC2)CC1 CC(C)[*:1] C1C[NH+](CCC1OC[*:1])Cc1nnnn1C1CC1
CC(C)COC1CC[NH+](Cc2nnnn2C2CC2)CC1 C1CC1[*:1] CC(C)COC1CC[NH+](CC1)Cc1nnnn1[*:1]
CC(C)COC1CC[NH+](Cc2nnnn2C2CC2)CC1 CC(C)CO[*:1] C1CC1n1nnnc1C[NH+]1CCC(CC1)[*:1]
CC1(C)C[C@@H](NC(=O)[C@H]2N=NC3=C2CCC3)C2=CNN(c3cccc(F)c3)[C@@H]2C1 Fc1cccc(c1)[*:1] CC1(C)C[C@@H](NC(=O)[C@H]2N=NC3CCCC=32)C2=CNN([C@@H]2C1)[*:1]
C[C@H]1CC(NC(=O)CSc2nc([O-])c3cnn(-c4cccc(Cl)c4)c3n2)=NO1 Clc1cccc(c1)[*:1] C[C@H]1CC(=NO1)NC(=O)CSc1nc([O-])c2cnn(c2n1)[*:1]
CC(=O)C1=C(C)C(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)=N[C@H]1C O=S(=O)(N1CCOCC1)[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)Nc1ccc(C)c(c1)[*:1]
CC(=O)C1=C(C)C(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)CN1CCN(CC1)C(=O)C(=O)N[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 CCN(CC)C(=O)C[*:1] Cc1ccc(cc1)NC(=O)C(=O)N1CCN(CC1)[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N1CCN(CC1)C[*:1]
COc1cccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2=O)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1cccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2=O)c1 COc1cccc(c1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
C[NH+](C)[C@@H](CNC(=O)CN1C(=O)CCC1=O)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)CN1C(=O)CCC1=O)[*:1]
C[NH+](C)[C@@H](CNC(=O)CN1C(=O)CCC1=O)c1ccco1 O=C1CCC(=O)N1[*:1] C[NH+](C)[C@@H](CNC(=O)C[*:1])c1ccco1
COc1ccccc1Nc1ncccc1C(=O)N[C@H]1CCCCNC1=O COc1ccccc1[*:1] O=C(N[C@H]1CCCCNC1=O)c1cccnc1N[*:1]
COc1ccccc1[C@H](CNC(=O)Cn1ncc(=O)c2ccccc21)[NH+]1CCCCC1 COc1ccccc1[*:1] O=C(Cn1ncc(=O)c2ccccc21)NC[C@H]([NH+]1CCCCC1)[*:1]
COc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 COc1ccccc1[*:1] Cc1ccccc1Cn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
COc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 Cc1ccccc1C[*:1] COc1ccccc1-n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
COc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 Cc1ccccc1[*:1] COc1ccccc1-n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
C[C@H]1CN(C(=O)c2nnsc2-c2ccc(Cl)cc2)C[C@@H](C)O1 Clc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1nnsc1[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1OC COCC[*:1] CCOc1ccc(cc1OC)[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1OC COC[*:1] CCOc1ccc(cc1OC)[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1C[*:1]
CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1OC CCO[*:1] COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(c(c1)OC)[*:1]
CCn1nccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 O=C(N[*:1])c1cccs1 CCn1nccc1NC(=O)[C@@H](Cc1ccccc1)[*:1]
CCn1nccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 c1ccc(cc1)[*:1] CCn1nccc1NC(=O)[C@@H](C[*:1])NC(=O)c1cccs1
CCn1nccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 CCn1nccc1[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N[*:1])c1cccs1
CCn1nccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 c1ccc(cc1)C[*:1] CCn1nccc1NC(=O)[C@@H](NC(=O)c1cccs1)[*:1]
CCn1nccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 c1csc(c1)[*:1] CCn1nccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)[*:1]
CCc1noc([C@H](C)Sc2nncn2C2CC2)n1 C1CC1[*:1] CCc1noc(n1)[C@H](C)Sc1nncn1[*:1]
CCn1c(SCC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)nnc1C1CC1 CCn1c(nnc1[*:1])C1CC1 CN(C(=O)CS[*:1])[C@@]1(CCCCC1=O)c1ccccc1Cl
CCn1c(SCC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)nnc1C1CC1 Clc1ccccc1[*:1] CCn1c(nnc1C1CC1)SCC(=O)N(C)[C@@]1(CCCCC1=O)[*:1]
CCn1c(SCC(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])SCC(=O)N(C)[C@@]1(CCCCC1=O)c1ccccc1Cl
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cn[nH]c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)OC[*:1])C(=O)Nc1cn[nH]c1
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cn[nH]c1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)O[*:1])C(=O)Nc1cn[nH]c1
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cn[nH]c1 c1n[nH]cc1[*:1] C[C@H](NC(=O)OCc1ccccc1)C(=O)N[*:1]
Cc1cc(=O)n2nc([C@@H]3CCCN(C(=O)C[C@H](C)n4nc(C)c(C)c4C)C3)cc2[nH]1 Cc1nn(c(C)c1C)[C@@H](C)[*:1] Cc1cc(=O)n2nc(cc2[nH]1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1cc(=O)n2nc([C@@H]3CCCN(C(=O)C[C@H](C)n4nc(C)c(C)c4C)C3)cc2[nH]1 Cc1nn(c(C)c1C)[*:1] Cc1cc(=O)n2nc(cc2[nH]1)[C@@H]1CCCN(C1)C(=O)C[C@H](C)[*:1]
CCCNC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 CCC[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)NC(=O)NC1CC1
CCCNC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] CCCNC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CCCNC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 CCCNC(=O)N[*:1] C[C@H](c1ccc(cc1)NC(=O)NC1CC1)[*:1]
CCCNC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] CCCNC(=O)N[C@H](C)c1ccc(cc1)NC(=O)N[*:1]
NC(=O)c1ccccc1NC(=O)Cc1ccccc1F NC(=O)[*:1] O=C(Cc1ccccc1F)Nc1ccccc1[*:1]
Cc1c(CO[C@H]2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])CO[C@H]1CC[C@H]([NH3+])C1
Cc1c(C(=O)O[C@H]2CC[C@H](S(C)(=O)=O)C2)sc2cccc(F)c12 CS(=O)(=O)[*:1] Cc1c(sc2cccc(F)c12)C(=O)O[C@H]1CC[C@H](C1)[*:1]
COc1cc(OC)cc(C(=O)NC[C@H](O)c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] COc1cc(cc(c1)C(=O)NC[C@H](O)[*:1])OC
COc1ccc(C(=O)/N=C(\Nc2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(/N=C(\Nc1ccc(F)cc1)N1CC[NH+](CC1)C1CCCCC1)[*:1]
COc1ccc(C(=O)/N=C(\Nc2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)/N=C(\N[*:1])N1CC[NH+](CC1)C1CCCCC1
Cc1ccc(/C=N/NC(=O)c2ccccc2Cl)s1 Cc1ccc(s1)[*:1] O=C(NN=C[*:1])c1ccccc1Cl
Fc1ccc(OCCCSc2nc3ccccc3[nH]2)cc1 Fc1ccc(cc1)[*:1] c1ccc2[nH]c(nc2c1)SCCCO[*:1]
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(C)C)cc2)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)COc1ccc(/C=N/NC(=O)[*:1])cc1
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] CC(C)C(=O)N/N=C/c1ccc(cc1)OCC(=O)N[*:1]
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(C)C)cc2)cc1 CC(C)C(=O)NN=C[*:1] Cc1ccc(cc1)NC(=O)COc1ccc(cc1)[*:1]
O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl c1cc(ccn1)C[*:1] O=C(NNC(=O)[*:1])[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl c1cc(ccn1)[*:1] O=C(C[*:1])NNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@@H]1[*:1]
O=C([O-])c1cc(-c2ccccc2)c2c(n1)CCCC2=O c1ccc(cc1)[*:1] O=C([O-])c1cc(c2C(=O)CCCc2n1)[*:1]
O=C([O-])c1cc(-c2ccccc2)c2c(n1)CCCC2=O O=C([O-])[*:1] O=C1CCCc2nc(cc(-c3ccccc3)c21)[*:1]
COc1ccc(/C=C(/C)CN2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1 COc1ccc(cc1)[*:1] CC(=C[*:1])CN1CCN(CC1)C(=O)[C@@H]1C[C@@H]1C
COc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(cc1)[*:1]
COc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 COc1ccccc1[*:1] C[C@H](N[C@H](C)C(=O)N[*:1])c1ccc(cc1)C(F)(F)F
COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-n1c(C)nnc1SCC(=O)N[*:1]
COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2F)cc1 COc1ccc(cc1)[*:1] Cc1nnc(SCC(=O)Nc2ccccc2F)n1[*:1]
C[NH2+][C@H]1[C@H](N(C)Cc2[nH+]ccn2C)CCC1(C)C Cn1cc[nH+]c1[*:1] C[NH2+][C@H]1[C@@H](CCC1(C)C)N(C)C[*:1]
Cc1csc(N2CCN(C[C@@H](O)COCc3ccco3)CC2)n1 c1coc(c1)C[*:1] Cc1csc(n1)N1CCN(CC1)C[C@@H](O)CO[*:1]
Cc1csc(N2CCN(C[C@@H](O)COCc3ccco3)CC2)n1 c1coc(c1)[*:1] Cc1csc(n1)N1CCN(CC1)C[C@@H](O)COC[*:1]
Cc1csc(N2CCN(C[C@@H](O)COCc3ccco3)CC2)n1 c1coc(c1)CO[*:1] Cc1csc(n1)N1CCN(CC1)C[C@@H](O)C[*:1]
Cc1csc(N2CCN(C[C@@H](O)COCc3ccco3)CC2)n1 Cc1csc(n1)[*:1] O[C@@H](COCc1ccco1)CN1CCN(CC1)[*:1]
CCCN1C(=O)[C@](NC(=O)c2ccccc2F)(C(F)(F)F)N=C1C Fc1ccccc1[*:1] CCCN1C(=O)[C@](N=C1C)(NC(=O)[*:1])C(F)(F)F
CCCN1C(=O)[C@](NC(=O)c2ccccc2F)(C(F)(F)F)N=C1C FC(F)(F)[*:1] CCCN1C(=O)[C@@](N=C1C)(NC(=O)c1ccccc1F)[*:1]
CCCN1C(=O)[C@](NC(=O)c2ccccc2F)(C(F)(F)F)N=C1C CCC[*:1] CC1=N[C@](NC(=O)c2ccccc2F)(C(=O)N1[*:1])C(F)(F)F
CCO[C@H]1C[C@@H](N(C)C(=O)c2cnc([C@@H]3CCCO3)s2)C1(C)C CCO[*:1] CN(C(=O)c1cnc(s1)[C@@H]1CCCO1)[C@@H]1C[C@@H](C1(C)C)[*:1]
CCO[C@H]1C[C@@H](N(C)C(=O)c2cnc([C@@H]3CCCO3)s2)C1(C)C C1CO[C@@H](C1)[*:1] CCO[C@H]1C[C@@H](N(C)C(=O)c2cnc(s2)[*:1])C1(C)C
CNC(=O)NCC(=O)Nc1cc(C(=O)NCC(F)(F)F)cc(F)c1C CNC(=O)NC[*:1] Cc1c(F)cc(cc1NC(=O)[*:1])C(=O)NCC(F)(F)F
CNC(=O)NCC(=O)Nc1cc(C(=O)NCC(F)(F)F)cc(F)c1C O=C(NCC(F)(F)F)[*:1] CNC(=O)NCC(=O)Nc1cc(cc(F)c1C)[*:1]
CNC(=O)NCC(=O)Nc1cc(C(=O)NCC(F)(F)F)cc(F)c1C FC(F)(F)[*:1] CNC(=O)NCC(=O)Nc1cc(cc(F)c1C)C(=O)NC[*:1]
CNC(=O)NCC(=O)Nc1cc(C(=O)NCC(F)(F)F)cc(F)c1C CNC(=O)N[*:1] Cc1c(F)cc(cc1NC(=O)C[*:1])C(=O)NCC(F)(F)F
CNC(=O)NCC(=O)Nc1cc(C(=O)NCC(F)(F)F)cc(F)c1C FC(F)(F)C[*:1] CNC(=O)NCC(=O)Nc1cc(cc(F)c1C)C(=O)N[*:1]
CCCC[C@@H]1[C@@H](C)C1(Br)Br CCC[*:1] C[C@@H]1[C@@H](C[*:1])C1(Br)Br
C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]12 O=[N+]([O-])[*:1] C[C@H]1C=CC[C@@H]2C(=O)N(C(=O)[C@H]12)c1ccc(cc1)OC(=O)c1cccc(c1)[*:1]
C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]12 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H]1C=CC[C@@H]2C(=O)N(C(=O)[C@H]12)c1ccc(cc1)OC(=O)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4c(C)nn([C@@H]5CCS(=O)(=O)C5)c4C)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)(C)C(=O)NCC1CCN(c2ncccc2C#N)CC1 CC(C)(C)[*:1] N#Cc1cccnc1N1CCC(CC1)CNC(=O)[*:1]
CC(C)(C)C(=O)NCC1CCN(c2ncccc2C#N)CC1 CC(C)(C)C(=O)N[*:1] N#Cc1cccnc1N1CCC(CC1)C[*:1]
C[C@@H](Cc1nc2ccccc2s1)[NH2+]CCc1n[nH]c(-c2ccco2)n1 c1coc(c1)[*:1] C[C@@H](Cc1nc2ccccc2s1)[NH2+]CCc1n[nH]c(n1)[*:1]
CC(C)[C@@H](C[NH+](C)C)n1c(CCCl)nc2cccnc21 CC(C)[*:1] C[NH+](C)C[C@@H](n1c(CCCl)nc2cccnc21)[*:1]
CC(C)[C@@H](C[NH+](C)C)n1c(CCCl)nc2cccnc21 ClCC[*:1] CC(C)[C@@H](C[NH+](C)C)n1c(nc2cccnc21)[*:1]
C[C@H](Nc1nccc(OCc2ccccc2)n1)[C@H]1CN(C)CCO1 c1ccc(cc1)C[*:1] C[C@H](Nc1nccc(n1)O[*:1])[C@H]1CN(C)CCO1
C[C@H](Nc1nccc(OCc2ccccc2)n1)[C@H]1CN(C)CCO1 c1ccc(cc1)CO[*:1] C[C@H](Nc1nccc(n1)[*:1])[C@H]1CN(C)CCO1
C[C@H](Nc1nccc(OCc2ccccc2)n1)[C@H]1CN(C)CCO1 c1ccc(cc1)[*:1] C[C@H](Nc1nccc(n1)OC[*:1])[C@H]1CN(C)CCO1
O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)C(=O)c1ccccc1C(=O)[*:1]
O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 O=C(c1ccc(F)cc1)[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)C(=O)c1ccccc1[*:1]
COC(=O)C[C@H](NC(=O)Nc1cc(F)ccc1OC)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] COC(=O)C[C@H](NC(=O)Nc1cc(F)ccc1OC)[*:1]
COC(=O)C[C@H](NC(=O)Nc1cc(F)ccc1OC)c1ccc(Cl)s1 COC(=O)C[*:1] COc1ccc(F)cc1NC(=O)N[C@H](c1ccc(Cl)s1)[*:1]
COC(=O)C[C@H](NC(=O)Nc1cc(F)ccc1OC)c1ccc(Cl)s1 COC(=O)[*:1] COc1ccc(F)cc1NC(=O)N[C@@H](C[*:1])c1ccc(Cl)s1
CCC[C@@H]1CO[C@](Cn2cnnc2)(c2ccc(Cl)cc2Cl)O1 c1nncn1[*:1] CCC[C@@H]1CO[C@@](C[*:1])(O1)c1ccc(Cl)cc1Cl
CCC[C@@H]1CO[C@](Cn2cnnc2)(c2ccc(Cl)cc2Cl)O1 CCC[*:1] Clc1ccc(c(Cl)c1)[C@@]1(Cn2cnnc2)OC[C@H](O1)[*:1]
CCC[C@@H]1CO[C@](Cn2cnnc2)(c2ccc(Cl)cc2Cl)O1 c1nncn1C[*:1] CCC[C@@H]1CO[C@@](O1)(c1ccc(Cl)cc1Cl)[*:1]
COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Br Oc1ccccc1[*:1] COc1ccc(/C=N/NC(=O)[*:1])cc1Br
O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1cccc(c1)NC(=O)c1cccs1
O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 O=C(CCc1ccccc1)Nc1cccc(c1)[*:1]
O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] O=C(CCc1ccccc1)Nc1cccc(c1)NC(=O)[*:1]
O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 c1ccc(cc1)C[*:1] O=C(C[*:1])Nc1cccc(c1)NC(=O)c1cccs1
O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 c1ccc(cc1)CC[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1cccs1
C[C@H](C[NH3+])CS/C=C/C(=O)[O-] O=C([O-])[*:1] C[C@H](C[NH3+])CSC=C[*:1]
O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@@H](CN(C1)[*:1])C[NH+]1CCCC1
O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@@H](CN(C1)C[*:1])C[NH+]1CCCC1
O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccccc2)C1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])[C@@H]1C[C@@H](CN(Cc2ccccc2)C1)C[NH+]1CCCC1
O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccccc2)C1 O=C(NC[C@@H]1CCCO1)[*:1] c1ccc(cc1)CN1C[C@H](C[C@H](C1)[*:1])C[NH+]1CCCC1
O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccccc2)C1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])[C@@H]1C[C@@H](CN(Cc2ccccc2)C1)C[NH+]1CCCC1
CCc1n[n-]c([S@@](=O)[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)n1 C[C@H]1CCCC[C@H]1[*:1] CCc1n[n-]c(n1)[S@@](=O)[C@H](C)C(=O)N[*:1]
c1ccc(SCCOCCc2cccs2)cc1 c1csc(c1)[*:1] c1ccc(cc1)SCCOCC[*:1]
O=C(Nc1cc(Br)c[nH]c1=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 O=c1[nH]cc(Br)cc1[*:1] O=C(N[*:1])[C@H]1CC(=NO1)c1cc(F)ccc1F
O=C(Nc1cc(Br)c[nH]c1=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 Fc1ccc(F)c(c1)[*:1] O=C(Nc1cc(Br)c[nH]c1=O)[C@H]1CC(=NO1)[*:1]
Cc1ccn(-c2ccc(N(C)Cc3ccccn3)nn2)n1 Cc1ccn(n1)[*:1] CN(Cc1ccccn1)c1ccc(nn1)[*:1]
Cc1ccn(-c2ccc(N(C)Cc3ccccn3)nn2)n1 c1ccc(nc1)[*:1] Cc1ccn(n1)-c1ccc(nn1)N(C)C[*:1]
Cc1ccn(-c2ccc(N(C)Cc3ccccn3)nn2)n1 c1ccc(C[*:1])nc1 Cc1ccn(n1)-c1ccc(nn1)N(C)[*:1]
CC[C@@](O)(C(=O)[O-])[C@@H](c1ccccc1)C(C)C O=C([O-])[*:1] CC[C@@](O)([C@@H](c1ccccc1)C(C)C)[*:1]
CC[C@@](O)(C(=O)[O-])[C@@H](c1ccccc1)C(C)C CC(C)[*:1] CC[C@@](O)(C(=O)[O-])[C@@H](c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 c1cc2OCCOc2cc1[*:1] CC(C)[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccc(F)cc1
CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 CC(C)[*:1] O=C(N[C@H](c1ccc(F)cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
CN(C)C(=O)[C@H]1CC[C@@H](CNc2ccc(F)cc2C#N)O1 CN(C)C(=O)[*:1] N#Cc1cc(F)ccc1NC[C@@H]1CC[C@@H](O1)[*:1]
O=C(c1ccc2nccn2c1)N(Cc1cnn(-c2ccccc2)c1)C1CC1 c1cn2cc(ccc2n1)[*:1] O=C(N(Cc1cnn(c1)-c1ccccc1)C1CC1)[*:1]
O=C(c1ccc2nccn2c1)N(Cc1cnn(-c2ccccc2)c1)C1CC1 C1CC1[*:1] O=C(c1ccc2nccn2c1)N(Cc1cnn(c1)-c1ccccc1)[*:1]
O=C(c1ccc2nccn2c1)N(Cc1cnn(-c2ccccc2)c1)C1CC1 c1ccc(cc1)[*:1] O=C(c1ccc2nccn2c1)N(Cc1cnn(c1)[*:1])C1CC1
COc1ccc(C)cc1NC(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 COc1ccc(C)cc1[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)c1ccc(F)cc1)N[*:1]
COc1ccc(C)cc1NC(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)C[NH+]1CCC(CC1)NC(=O)[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1F Clc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)C(=O)Nc1ccccc1F
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[*:1]
CCC(CC)Oc1ccc(C[NH2+]C(C)C)cc1Br CCC(CC)O[*:1] CC(C)[NH2+]Cc1ccc(c(Br)c1)[*:1]
CCC(CC)Oc1ccc(C[NH2+]C(C)C)cc1Br CCC(CC)[*:1] CC(C)[NH2+]Cc1ccc(O[*:1])c(Br)c1
CCC(CC)Oc1ccc(C[NH2+]C(C)C)cc1Br CC(C)[*:1] CCC(CC)Oc1ccc(cc1Br)C[NH2+][*:1]
COc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)[*:1]
Cc1cc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)no1 Cc1cc(no1)[*:1] CC1CCC(CC1)N(Cc1ccc2OCOc2c1)C(=O)C[*:1]
Cc1cc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)no1 Cc1cc(C[*:1])no1 CC1CCC(CC1)N(Cc1ccc2OCOc2c1)C(=O)[*:1]
Cc1cc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)no1 c1cc2OCOc2cc1[*:1] Cc1cc(CC(=O)N(C[*:1])C2CCC(C)CC2)no1
Cc1cc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)no1 CC1CCC(CC1)[*:1] Cc1cc(CC(=O)N(Cc2ccc3OCOc3c2)[*:1])no1
O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N1CCC[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N1CCC[C@H]1[*:1]
Cc1cc(N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n2ncnc2n1 Fc1cc(ccc1Cl)[*:1] Cc1cc(N[C@H]2CCO[C@@H]2[*:1])n2ncnc2n1
C[C@H](Sc1ncn[nH]1)C(=O)Nc1ccc2ccccc2c1 c1n[nH]c(n1)[*:1] C[C@H](S[*:1])C(=O)Nc1ccc2ccccc2c1
C[C@H](Sc1ncn[nH]1)C(=O)Nc1ccc2ccccc2c1 c1n[nH]c(n1)S[*:1] C[C@H](C(=O)Nc1ccc2ccccc2c1)[*:1]
CC(C)(C)S(=O)(=O)CCNC(=O)N[C@@](C)(CO)C1CCCCC1 CC(C)(C)S(=O)(=O)[*:1] C[C@@](CO)(NC(=O)NCC[*:1])C1CCCCC1
CC(C)(C)S(=O)(=O)CCNC(=O)N[C@@](C)(CO)C1CCCCC1 CC(C)(C)[*:1] C[C@@](CO)(NC(=O)NCCS(=O)(=O)[*:1])C1CCCCC1
CC(C)(C)S(=O)(=O)CCNC(=O)N[C@@](C)(CO)C1CCCCC1 C1CCC(CC1)[*:1] CC(C)(C)S(=O)(=O)CCNC(=O)N[C@@](C)(CO)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](COCc2cnccn2)C1 c1cnc(cn1)C[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](CO[*:1])C1
CC(C)(C)OC(=O)N1CCC[C@@H](COCc2cnccn2)C1 c1cnc(cn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](COC[*:1])C1
CC(C)(C)OC(=O)N1CCC[C@@H](COCc2cnccn2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](COCc2cnccn2)C1
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(COc1ccccc1-c1ccccc1)NNC(=O)[*:1]
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc(Cl)cc(Cl)c1 c1ccc(cc1)[*:1] O=C(COc1ccccc1[*:1])NNC(=O)c1cc(Cl)cc(Cl)c1
Cc1nc2sccn2c1CNC1CC[NH+](Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 Cc1nc2sccn2c1CNC1CC[NH+](CC1)[*:1]
Cc1nc2sccn2c1CNC1CC[NH+](Cc2ccccn2)CC1 c1ccc(nc1)[*:1] Cc1nc2sccn2c1CNC1CC[NH+](CC1)C[*:1]
CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(CCn2nc(C)cc2C)C3=O)C1 CC[C@H]1CCCCN1C(=O)[*:1] Cc1cc(C)n(CCN2C(=O)c3cccc(c3C2=O)N2CCC[C@H](C2)[*:1])n1
CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(CCn2nc(C)cc2C)C3=O)C1 Cc1cc(C)n(n1)[*:1] CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(C1)c1cccc2C(=O)N(CC[*:1])C(=O)c21
CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(CCn2nc(C)cc2C)C3=O)C1 Cc1cc(C)n(CC[*:1])n1 CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(C1)c1cccc2C(=O)N(C(=O)c21)[*:1]
CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(CCn2nc(C)cc2C)C3=O)C1 Cc1cc(C)n(C[*:1])n1 CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(C1)c1cccc2C(=O)N(C[*:1])C(=O)c21
CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(F)cc1 CC(C)[*:1] CNC(=O)[C@H](C[*:1])[NH2+]Cc1ccc(F)cc1
CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(F)cc1 CC(C)C[*:1] CNC(=O)[C@H]([NH2+]Cc1ccc(F)cc1)[*:1]
CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(F)cc1 CNC(=O)[*:1] CC(C)C[C@H]([NH2+]Cc1ccc(F)cc1)[*:1]
Oc1ccc(C[C@@H](O)COc2ccccc2)cc1 c1ccc(cc1)[*:1] Oc1ccc(cc1)C[C@@H](O)CO[*:1]
CC(=O)Nc1ccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)no2)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)NS(=O)(=O)[*:1]
CC(=O)Nc1ccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)no2)cc1 CC(=O)N[*:1] O=S(=O)(Nc1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[*:1])c1ccc(Cl)cc1
CC(=O)Nc1ccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)no2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)-c1noc(n1)[*:1])c1ccc(Cl)cc1
COc1ncc(CN2CC[C@@H](c3ccnc(-c4ccc(CO)cc4)c3)C2)cn1 OCc1ccc(cc1)[*:1] COc1ncc(cn1)CN1CC[C@H](C1)c1ccnc(c1)[*:1]
COc1ncc(CN2CC[C@@H](c3ccnc(-c4ccc(CO)cc4)c3)C2)cn1 COc1ncc(cn1)C[*:1] OCc1ccc(cc1)-c1cc(ccn1)[C@@H]1CCN(C1)[*:1]
COc1ncc(CN2CC[C@@H](c3ccnc(-c4ccc(CO)cc4)c3)C2)cn1 COc1ncc(cn1)[*:1] OCc1ccc(cc1)-c1cc(ccn1)[C@@H]1CCN(C1)C[*:1]
CC[C@H](C)NC(=O)c1c(C)nc(-c2ccco2)nc1SC CC[C@H](C)NC(=O)[*:1] CSc1nc(nc(C)c1[*:1])-c1ccco1
CC[C@H](C)NC(=O)c1c(C)nc(-c2ccco2)nc1SC c1coc(c1)[*:1] CC[C@H](C)NC(=O)c1c(C)nc(nc1SC)[*:1]
CC[C@H](C)NC(=O)c1c(C)nc(-c2ccco2)nc1SC CC[C@H](C)[*:1] CSc1nc(nc(C)c1C(=O)N[*:1])-c1ccco1
CC(=O)NCCc1c[nH]c2ccc(C(=O)[O-])cc12 CC(=O)NCC[*:1] O=C([O-])c1ccc2[nH]cc(c2c1)[*:1]
CC(=O)NCCc1c[nH]c2ccc(C(=O)[O-])cc12 O=C([O-])[*:1] CC(=O)NCCc1c[nH]c2ccc(cc12)[*:1]
CC(=O)NCCc1c[nH]c2ccc(C(=O)[O-])cc12 CC(=O)N[*:1] O=C([O-])c1ccc2[nH]cc(CC[*:1])c2c1
CC(=O)NCCc1c[nH]c2ccc(C(=O)[O-])cc12 CC(=O)NC[*:1] O=C([O-])c1ccc2[nH]cc(C[*:1])c2c1
CCC(=O)Nc1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] CCC(=O)Nc1ccccc1[*:1]
CCC(=O)Nc1ccccc1S(C)(=O)=O CCC(=O)N[*:1] CS(=O)(=O)c1ccccc1[*:1]
CC[C@H](CSC)N(C)C(=O)N[C@H]1CCc2c(OC)cccc21 CSC[*:1] CC[C@H](N(C)C(=O)N[C@H]1CCc2c(cccc21)OC)[*:1]
Cn1cnc(CNC(=O)[C@H]2C[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)n1 Cn1cnc(n1)[*:1] CC(C)(C)OC(=O)N1[C@H](C[C@H]2CCCC[C@H]21)C(=O)NC[*:1]
Cn1cnc(CNC(=O)[C@H]2C[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)n1 Cn1cnc(C[*:1])n1 CC(C)(C)OC(=O)N1[C@H](C[C@H]2CCCC[C@H]21)C(=O)N[*:1]
Cn1cnc(CNC(=O)[C@H]2C[C@H]3CCCC[C@H]3N2C(=O)OC(C)(C)C)n1 CC(C)(C)[*:1] Cn1cnc(CNC(=O)[C@H]2C[C@H]3CCCC[C@H]3N2C(=O)O[*:1])n1
CC/[NH+]=C(/NCC(C)C)N1CCC(OCC)CC1 CC(C)C[*:1] CC/[NH+]=C(/N[*:1])N1CCC(CC1)OCC
CC/[NH+]=C(/NCC(C)C)N1CCC(OCC)CC1 CCO[*:1] CC/[NH+]=C(/NCC(C)C)N1CCC(CC1)[*:1]
CC/[NH+]=C(/NCC(C)C)N1CCC(OCC)CC1 CC(C)[*:1] CC/[NH+]=C(/NC[*:1])N1CCC(CC1)OCC
CN1CC[C@H](NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O Clc1cccc(c1)[*:1] CN1CC[C@H](NC(=O)N[C@@H]2CCN(C2=O)[*:1])C1=O
CN1CC[C@H](NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O CN1CC[C@H](C1=O)[*:1] O=C(N[C@@H]1CCN(C1=O)c1cccc(Cl)c1)N[*:1]
Cn1cc(S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)cn1 C1CC1[*:1] Cn1cc(cn1)S[C@@H]1CCC[C@](C1)([NH2+][*:1])C(=O)[O-]
Cn1cc(S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)cn1 O=C([O-])[*:1] Cn1cc(cn1)S[C@@H]1CCC[C@@](C1)([NH2+]C1CC1)[*:1]
Cn1cc(S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)cn1 Cn1cc(cn1)[*:1] O=C([O-])[C@]1(CCC[C@H](C1)S[*:1])[NH2+]C1CC1
CCN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(C(=O)[O-])cc1 O=C([O-])c1ccc(cc1)[*:1] CCN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@@H]2[*:1]
CCN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CCN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(cc1)[*:1]
COc1ccc([C@@H](C)[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)cc1 COc1ccc(cc1)[*:1] CO[C@H]1CN(C[C@H]1[NH2+][C@H](C)[*:1])C(=O)OC(C)(C)C
COc1ccc([C@@H](C)[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@@H](C)[NH2+][C@@H]1CN(C[C@@H]1OC)C(=O)O[*:1]
O=C([O-])c1cc(S(=O)(=O)NCCNc2ccccn2)ccc1F O=C([O-])[*:1] O=S(=O)(NCCNc1ccccn1)c1ccc(F)c(c1)[*:1]
O=C([O-])c1cc(S(=O)(=O)NCCNc2ccccn2)ccc1F c1ccc(nc1)N[*:1] O=C([O-])c1cc(ccc1F)S(=O)(=O)NCC[*:1]
O=C([O-])c1cc(S(=O)(=O)NCCNc2ccccn2)ccc1F c1ccc(nc1)[*:1] O=C([O-])c1cc(ccc1F)S(=O)(=O)NCCN[*:1]
CC(C)[C@H](c1ccccc1Cl)N(C)Cc1cnc2cnccn12 CC(C)[*:1] CN(Cc1cnc2cnccn12)[C@@H](c1ccccc1Cl)[*:1]
CC(C)[C@H](c1ccccc1Cl)N(C)Cc1cnc2cnccn12 Clc1ccccc1[*:1] CC(C)[C@H](N(C)Cc1cnc2cnccn12)[*:1]
Cc1sc(NC(=O)c2ccccc2)c(CN2CCc3ccccc3C2)c1C O=C(N[*:1])c1ccccc1 Cc1sc(c(CN2CCc3ccccc3C2)c1C)[*:1]
Cc1sc(NC(=O)c2ccccc2)c(CN2CCc3ccccc3C2)c1C c1ccc(cc1)[*:1] Cc1sc(NC(=O)[*:1])c(CN2CCc3ccccc3C2)c1C
CCC(=O)N1CCc2cc(CNC(=O)c3ccccc3F)ccc21 Fc1ccccc1[*:1] CCC(=O)N1CCc2cc(ccc21)CNC(=O)[*:1]
CCOC(=O)C1=C(C(C)=O)[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O1 Brc1cccc(c1)[*:1] CCOC(=O)C1OC(N)=C(C#N)[C@H](C=1C(C)=O)[*:1]
CCOC(=O)C1=C(C(C)=O)[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O1 CC(=O)[*:1] CCOC(=O)C1OC(N)=C(C#N)[C@@H](C=1[*:1])c1cccc(Br)c1
CCOC(=O)C1=C(C(C)=O)[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O1 CCOC(=O)[*:1] CC(=O)C1=C(OC(N)=C(C#N)[C@@H]1c1cccc(Br)c1)[*:1]
Cc1cccc(N(C)C(=O)c2ncn(-c3ccccc3)n2)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N(C)C(=O)c1ncn(n1)[*:1]
Cc1ccccc1CS/C(Nc1ccccc1)=C(\C#N)S(=O)(=O)c1ccccc1 O=S(=O)(c1ccccc1)[*:1] Cc1ccccc1CSC(Nc1ccccc1)=C(C#N)[*:1]
Cc1ccccc1CS/C(Nc1ccccc1)=C(\C#N)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1CS/C(Nc1ccccc1)=C(\C#N)S(=O)(=O)[*:1]
Cc1ccccc1CS/C(Nc1ccccc1)=C(\C#N)S(=O)(=O)c1ccccc1 c1ccc(cc1)N[*:1] Cc1ccccc1CS/C(=C(\C#N)S(=O)(=O)c1ccccc1)[*:1]
Cc1ccccc1CS/C(Nc1ccccc1)=C(\C#N)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1CS/C(N[*:1])=C(\C#N)S(=O)(=O)c1ccccc1
Cc1ccccc1CS/C(Nc1ccccc1)=C(\C#N)S(=O)(=O)c1ccccc1 Cc1ccccc1C[*:1] N#C/C(=C(/Nc1ccccc1)S[*:1])S(=O)(=O)c1ccccc1
Cc1ccccc1CS/C(Nc1ccccc1)=C(\C#N)S(=O)(=O)c1ccccc1 Cc1ccccc1[*:1] N#C/C(=C(/Nc1ccccc1)SC[*:1])S(=O)(=O)c1ccccc1
Cc1ccccc1CS/C(Nc1ccccc1)=C(\C#N)S(=O)(=O)c1ccccc1 Cc1ccccc1CS[*:1] N#CC(=C(Nc1ccccc1)[*:1])S(=O)(=O)c1ccccc1
CNC(=O)/C(C#N)=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)/C(C#N)=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1[*:1]
CNC(=O)/C(C#N)=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1-c1ccccc1 CNC(=O)[*:1] N#CC(=c1s/c(=C/c2ccc(F)cc2)c(=O)n1-c1ccccc1)[*:1]
CNC(=O)/C(C#N)=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1-c1ccccc1 Fc1ccc(cc1)[*:1] CNC(=O)/C(C#N)=c1\sc(=C[*:1])c(=O)n1-c1ccccc1
Cc1nn(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2c(C)n(-c3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1nn(CC(=O)N2CCN(CC2)c2cccc(Cl)c2)c(=O)c2c(C)n(nc12)[*:1]
Cc1nn(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2c(C)n(-c3ccccc3)nc12 Clc1cccc(c1)[*:1] Cc1nn(CC(=O)N2CCN(CC2)[*:1])c(=O)c2c(C)n(nc12)-c1ccccc1
Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cn3)ccc2o1 Clc1ccc(nc1)[*:1] Cc1nc2cc(ccc2o1)N[C@@H](C)C(=O)N[*:1]
Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2nc3c(F)cccc3[nH]2)c1 Cc1cnn(c1)[*:1] C[C@@H]([C@@H](C)[NH2+]Cc1nc2c(F)cccc2[nH]1)[*:1]
C[C@H]1C[C@H](Nc2ccc(NC(=O)C[NH+](C)C)cc2)C(=O)O1 C[NH+](C)CC(=O)N[*:1] C[C@H]1C[C@H](Nc2ccc(cc2)[*:1])C(=O)O1
Cc1ccc(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1[C@@H]1CCS(=O)(=O)C1
Cc1ccc(NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n[nH+]1 CC(C)(C)[*:1] Cc1ccc(n[nH+]1)NC[C@@H]1CCCN(C1)C(=O)O[*:1]
CNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1[*:1]
CNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 CNC(=O)NC(=O)CS[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])-c1ccccc1
CNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 CNC(=O)NC(=O)C[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccc1)S[*:1]
CNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)CSc1nnc(n1-c1ccc(C)cc1)[*:1]
CNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 CNC(=O)NC(=O)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccc1)SC[*:1]
CC(C)(O)CNC(=O)NCCCCC1CCCC1 CC(C)(O)C[*:1] O=C(NCCCCC1CCCC1)N[*:1]
CC(C)(O)CNC(=O)NCCCCC1CCCC1 CC(C)(O)[*:1] O=C(NCCCCC1CCCC1)NC[*:1]
CC(C)(O)CNC(=O)NCCCCC1CCCC1 C1CCC(C1)C[*:1] CC(C)(O)CNC(=O)NCCC[*:1]
CC(C)(O)CNC(=O)NCCCCC1CCCC1 C1CCC(C1)[*:1] CC(C)(O)CNC(=O)NCCCC[*:1]
Cc1c(CCC(=O)NCCN2CCOCC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 C1CN(CCO1)C[*:1] Cc1c(CCC(=O)NC[*:1])c(=O)oc2cc3oc4CCCCc4c3cc12
Cc1c(CCC(=O)NCCN2CCOCC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 C1CN(CCO1)[*:1] Cc1c(CCC(=O)NCC[*:1])c(=O)oc2cc3oc4CCCCc4c3cc12
Cc1c(CCC(=O)NCCN2CCOCC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 C1CN(CCO1)CC[*:1] Cc1c(CCC(=O)N[*:1])c(=O)oc2cc3oc4CCCCc4c3cc12
C=CCC[C@H](C)OC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C C=CCC[*:1] Cc1nc(sc1C(=O)O[C@@H](C)[*:1])-c1c(C)c(C)nn(C)c1=O
C=CCC[C@H](C)OC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C C=CC[*:1] Cc1nc(sc1C(=O)O[C@@H](C)C[*:1])-c1c(C)c(C)nn(C)c1=O
CC(C)CCc1nc(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)cs1 N#Cc1ccc(cc1)[*:1] CC(C)CCc1nc(cs1)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CC(C)CCc1nc(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)cs1 CC(C)CC[*:1] C[C@]1(NC(=O)N(Cc2csc(n2)[*:1])C1=O)c1ccc(C#N)cc1
CC(C)CCc1nc(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)cs1 CC(C)C[*:1] C[C@]1(NC(=O)N(Cc2csc(C[*:1])n2)C1=O)c1ccc(C#N)cc1
CC(C)CCc1nc(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)cs1 CC(C)[*:1] C[C@]1(NC(=O)N(Cc2csc(CC[*:1])n2)C1=O)c1ccc(C#N)cc1
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccccc1F Fc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)Cc1ccccc1F
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccccc1F Fc1ccccc1C[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccccc1F Fc1ccc(cc1)O[*:1] C[C@@H](C(=O)NNC(=O)Cc1ccccc1F)[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1ccccc1F Fc1ccccc1[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[*:1]
C=CCNC(=O)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1 C=CCNC(=O)[*:1] O=C(N/C(=C/c1cccc2ccccc12)[*:1])c1ccccc1
C=CCNC(=O)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C=CCNC(=O)/C(=C\c1cccc2ccccc12)NC(=O)[*:1]
C=CCNC(=O)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1 C=CC[*:1] O=C(N[*:1])/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1
C=CCNC(=O)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 C=CCNC(=O)C(=Cc1cccc2ccccc12)[*:1]
NC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1 NC(=O)[*:1] O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc(cc1)C[*:1]
NC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1 NC(=O)C[*:1] O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc(cc1)[*:1]
NC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] NC(=O)Cc1ccc(cc1)NC(=O)C(=O)NC[*:1]
NC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] NC(=O)Cc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC(C)C[C@H](NC(=O)Cc1ccsc1)c1nc2ccccc2[nH]1 CC(C)C[*:1] O=C(Cc1ccsc1)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)C[C@H](NC(=O)Cc1ccsc1)c1nc2ccccc2[nH]1 c1cc(cs1)C[*:1] CC(C)C[C@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
CC(C)C[C@H](NC(=O)Cc1ccsc1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(Cc1ccsc1)N[C@@H](C[*:1])c1nc2ccccc2[nH]1
CC(C)C[C@H](NC(=O)Cc1ccsc1)c1nc2ccccc2[nH]1 c1cc(cs1)[*:1] CC(C)C[C@H](NC(=O)C[*:1])c1nc2ccccc2[nH]1
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N[C@@H](C1CC1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1ccccc1)C1CC1 O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)N[C@@H](c1ccccc1)C1CC1)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] Cc1ccc(cc1S(=O)(=O)N[C@@H](c1ccccc1)[*:1])[N+](=O)[O-]
CCC(=O)N1CCC([NH2+][C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)CC1 c1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@@H]([C@@H]1CCCc2ccccc21)[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCO[C@H](C)C2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCO[C@H](C)C2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCO[C@H](C)C2)c1C1CC1 CC[C@@H](C)[*:1] C[C@@H]1CN(CCO1)C(=O)c1cnn(c1C1CC1)[*:1]
CC(=O)Nc1ccc(CC(=O)Nc2c(C)cccc2Cl)cc1 CC(=O)N[*:1] Cc1cccc(Cl)c1NC(=O)Cc1ccc(cc1)[*:1]
Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)no1 Cc1cc(no1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc2OCCOc2c1
C[NH+]1CCN(c2ncc(C[NH+]3CCC(COc4ccccn4)CC3)cn2)CC1 c1ccc(nc1)OC[*:1] C[NH+]1CCN(CC1)c1ncc(cn1)C[NH+]1CCC(CC1)[*:1]
C[NH+]1CCN(c2ncc(C[NH+]3CCC(COc4ccccn4)CC3)cn2)CC1 c1ccc(nc1)O[*:1] C[NH+]1CCN(CC1)c1ncc(cn1)C[NH+]1CCC(CC1)C[*:1]
C[NH+]1CCN(c2ncc(C[NH+]3CCC(COc4ccccn4)CC3)cn2)CC1 c1ccc(nc1)[*:1] C[NH+]1CCN(CC1)c1ncc(cn1)C[NH+]1CCC(CC1)CO[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC3=c4ccccc4=[NH+]C3)[C@H]2c2cccc(F)c2)cc1 COc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(F)c2)N1CCC1C[NH+]=c2ccccc2=1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC3=c4ccccc4=[NH+]C3)[C@H]2c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CCC2C[NH+]=c3ccccc3=2)[C@@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC3=c4ccccc4=[NH+]C3)[C@H]2c2cccc(F)c2)cc1 COc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2cccc(F)c2)N1CCC1C[NH+]=c2ccccc2=1)[*:1]
COC(=O)[C@@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O CC(C)[*:1] COC(=O)[C@@H](C)n1cnc2sc(C(=O)O[*:1])c(C)c2c1=O
COC(=O)[C@@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O COC(=O)[C@@H](C)[*:1] Cc1c(sc2ncn(c(=O)c12)[*:1])C(=O)OC(C)C
COC(=O)[C@@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O COC(=O)[*:1] Cc1c(sc2ncn(c(=O)c12)[C@H](C)[*:1])C(=O)OC(C)C
COC(=O)[C@@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O CC(C)OC(=O)[*:1] COC(=O)[C@@H](C)n1cnc2sc(c(C)c2c1=O)[*:1]
CCn1c(=O)cc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21 NS(=O)(=O)[*:1] CCn1c(=O)cc(SCC(=O)Nc2ccc(cc2)[*:1])c2ccccc21
Cc1c(NC(=O)C2(c3ccccc3)CC2)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)C1(CC1)[*:1]
Cc1c(NC(=O)C2(c3ccccc3)CC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)C1(CC1)c1ccccc1
C=CCOc1cccc(-c2nnc(CCC(=O)N3CCc4ccccc4C3)c([O-])n2)c1 C=CC[*:1] O=C(CCc1nnc(nc1[O-])-c1cccc(c1)O[*:1])N1CCc2ccccc2C1
C=CCOc1cccc(-c2nnc(CCC(=O)N3CCc4ccccc4C3)c([O-])n2)c1 C=CCO[*:1] O=C(CCc1nnc(nc1[O-])-c1cccc(c1)[*:1])N1CCc2ccccc2C1
C=CCOc1cccc(-c2nnc(CCC(=O)N3CCc4ccccc4C3)c([O-])n2)c1 C=CCOc1cccc(c1)[*:1] O=C(CCc1nnc(nc1[O-])[*:1])N1CCc2ccccc2C1
COc1ccc(OC)c([C@H]2CCCN2C(=O)NC[C@@H](C)Cn2cccn2)c1 c1cnn(c1)[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)NC[C@@H](C)C[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)NC[C@@H](C)Cn2cccn2)c1 c1cnn(c1)C[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)NC[C@@H](C)[*:1]
N#CCOc1cccc(CC(=O)Nc2nc3c(s2)CCCC3)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])Nc1nc2CCCCc2s1
N#CCOc1cccc(CC(=O)Nc2nc3c(s2)CCCC3)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])Nc1nc2CCCCc2s1
CC1=C(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)C(=O)OC1(C)C c1cc(ccn1)[*:1] CC1=C(C(=O)OC1(C)C)C(=O)N1CCC(CC1)C(=O)N[*:1]
CC[C@@H]1C(=O)NCCN1Cc1cc(OC)c(O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H]1C(=O)NCCN1Cc1cc(OC)c(O)c(c1)[*:1]
CCc1nn(C)cc1C(=O)NCCCCn1ccccc1=O O=c1ccccn1[*:1] CCc1nn(C)cc1C(=O)NCCCC[*:1]
O=C([O-])c1c(F)ccc(F)c1Br O=C([O-])[*:1] Fc1ccc(F)c(c1Br)[*:1]
N#C[C@@H]1C=Cc2ccccc2N1C(=O)Oc1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1C=Cc2ccccc2N1C(=O)O[*:1]
CC(C)Sc1ccc(CC(=O)Nc2ccccc2C#N)cc1 CC(C)S[*:1] N#Cc1ccccc1NC(=O)Cc1ccc(cc1)[*:1]
CC(C)Sc1ccc(CC(=O)Nc2ccccc2C#N)cc1 CC(C)[*:1] N#Cc1ccccc1NC(=O)Cc1ccc(cc1)S[*:1]
COc1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)[*:1] COc1ccc(NC(=O)NC[C@H](O)[*:1])c(C)c1
Cc1nn(C)c2c(N(C)Cc3cccs3)nc(C3CC3)nc12 c1csc(c1)C[*:1] Cc1nn(C)c2c(nc(nc12)C1CC1)N(C)[*:1]
Cc1nn(C)c2c(N(C)Cc3cccs3)nc(C3CC3)nc12 C1CC1[*:1] Cc1nn(C)c2c(nc(nc12)[*:1])N(C)Cc1cccs1
Cc1nn(C)c2c(N(C)Cc3cccs3)nc(C3CC3)nc12 c1csc(c1)[*:1] Cc1nn(C)c2c(nc(nc12)C1CC1)N(C)C[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 COc1cccc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(cc2)[N+](=O)[O-])N1Cc1ccco1
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(cc1)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 COc1cccc(c1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(cc2)[N+](=O)[O-])N1Cc1ccco1)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 c1coc(c1)C[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 c1coc(c1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(cc1)[N+](=O)[O-]
CCOCCNc1ccc([N+](=O)[O-])c(N)n1 CCOC[*:1] Nc1nc(ccc1[N+](=O)[O-])NC[*:1]
CCOCCNc1ccc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] CCOCCNc1ccc(c(N)n1)[*:1]
CCOCCNc1ccc([N+](=O)[O-])c(N)n1 CCO[*:1] Nc1nc(ccc1[N+](=O)[O-])NCC[*:1]
CCOCCNc1ccc([N+](=O)[O-])c(N)n1 CCOCC[*:1] Nc1nc(ccc1[N+](=O)[O-])N[*:1]
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)Nc1cccc(F)c1
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccc2OCOc2c1)[C@@H]1CCCN1C(=O)N[*:1]
CCc1nnc2sc(Cn3nc(C(F)F)cc3C(F)F)nn12 FC(F)[*:1] CCc1nnc2sc(Cn3nc(cc3[*:1])C(F)F)nn12
CCc1nnc2sc(Cn3nc(C(F)F)cc3C(F)F)nn12 FC(F)[*:1] CCc1nnc2sc(Cn3nc(cc3C(F)F)[*:1])nn12
Cc1cc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)n(-c2ccccc2)n1 Cc1occc1[*:1] Cc1cc(NC(=O)CSc2nnc(n2C)[*:1])n(n1)-c1ccccc1
Cc1cc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)n(n1)[*:1]
COc1ccc(OC)c2sc(N3CCN(C(=O)c4nn(C)cc4C)CC3)nc12 Cc1cn(C)nc1[*:1] COc1ccc(OC)c2sc(nc12)N1CCN(CC1)C(=O)[*:1]
CSCc1cc(F)cc(C#CCCO)c1 OCCC#C[*:1] CSCc1cc(F)cc(c1)[*:1]
CSCc1cc(F)cc(C#CCCO)c1 CSC[*:1] OCCC#Cc1cc(F)cc(c1)[*:1]
CSCc1cc(F)cc(C#CCCO)c1 OCC[*:1] CSCc1cc(F)cc(C#C[*:1])c1
COC(=O)c1cccc(NC(=O)C[C@H]2C[NH2+]CCO2)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C[C@H]1C[NH2+]CCO1
N#C/C=C(/Sc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] N#C/C=C(/Sc1nc2ccccc2[nH]1)c1ccc(cc1)[*:1]
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3CO)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])N[C@@H]1CCCC[C@@H]1CO
N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3CO)cc2)cc1 N#Cc1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CCCC[C@@H]1CO
C[C@H]1C[C@@H](N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)C(=O)O1 Clc1ccc(nc1)[*:1] C[C@H]1C[C@H](C(=O)O1)N1CCC[C@@H](C1)C(=O)N[*:1]
C[C@H](c1ccc(Cl)cc1)N1CCN(c2cnn(C)c(=O)c2Cl)CC1 Clc1ccc(cc1)[*:1] C[C@H](N1CCN(CC1)c1cnn(C)c(=O)c1Cl)[*:1]
COCc1ccccc1NC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 COCc1ccccc1[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)N[*:1]
COCc1ccccc1NC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 COC[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)Nc1ccccc1[*:1]
COCc1ccccc1NC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 Cc1nccn1[*:1] COCc1ccccc1NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCN1CC(=O)N(CC[C@H](C)O)CC1=O C[C@H](O)[*:1] CCN1CC(=O)N(CC[*:1])CC1=O
CCN1CC(=O)N(CC[C@H](C)O)CC1=O C[C@H](O)C[*:1] CCN1CC(=O)N(CC1=O)C[*:1]
CCN1CC(=O)N(CC[C@H](C)O)CC1=O C[C@H](O)CC[*:1] CCN1CC(=O)N(CC1=O)[*:1]
C[C@H](C(=O)NCc1cccnc1)n1cc(Br)cn1 Brc1cnn(c1)[*:1] C[C@H](C(=O)NCc1cccnc1)[*:1]
C[C@H](C(=O)NCc1cccnc1)n1cc(Br)cn1 c1cncc(c1)[*:1] C[C@H](C(=O)NC[*:1])n1cc(Br)cn1
CC[C@@H](C(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[nH]1)c1ccccc1 CC(C)[*:1] CC[C@@H](C(=O)Nc1cc(nn1-c1nc(cc(=O)[nH]1)[*:1])C1CC1)c1ccccc1
CC[C@@H](C(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[nH]1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1cc(nn1-c1nc(cc(=O)[nH]1)C(C)C)C1CC1)[*:1]
CC[C@@H](C(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[nH]1)c1ccccc1 CC(C)c1cc(=O)[nH]c(n1)[*:1] CC[C@@H](C(=O)Nc1cc(nn1[*:1])C1CC1)c1ccccc1
CC[C@@H](C(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[nH]1)c1ccccc1 C1CC1[*:1] CC[C@@H](C(=O)Nc1cc(nn1-c1nc(cc(=O)[nH]1)C(C)C)[*:1])c1ccccc1
CC[C@@H](C(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[nH]1)c1ccccc1 CC[C@@H](c1ccccc1)[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)[*:1])C1CC1
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cc[nH]n1 c1cc(n[nH]1)[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)NC[*:1]
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cc[nH]n1 c1cc(C[*:1])n[nH]1 C[C@H]1Oc2ccccc2O[C@H]1C(=O)N[*:1]
CC[C@H]1c2ccsc2CCN1C(=O)CCOC1CCOCC1 C1CC(CCO1)O[*:1] CC[C@H]1c2ccsc2CCN1C(=O)CC[*:1]
CC[C@H]1c2ccsc2CCN1C(=O)CCOC1CCOCC1 C1CC(CCO1)[*:1] CC[C@H]1c2ccsc2CCN1C(=O)CCO[*:1]
NC(=O)NC[C@H]1CCCCN1C(=O)CCCC1CCCC1 C1CCC(C1)C[*:1] NC(=O)NC[C@H]1CCCCN1C(=O)CC[*:1]
NC(=O)NC[C@H]1CCCCN1C(=O)CCCC1CCCC1 C1CCC(C1)CC[*:1] NC(=O)NC[C@H]1CCCCN1C(=O)C[*:1]
NC(=O)NC[C@H]1CCCCN1C(=O)CCCC1CCCC1 NC(=O)NC[*:1] O=C(CCCC1CCCC1)N1CCCC[C@@H]1[*:1]
NC(=O)NC[C@H]1CCCCN1C(=O)CCCC1CCCC1 C1CCC(C1)[*:1] NC(=O)NC[C@H]1CCCCN1C(=O)CCC[*:1]
NC(=O)NC[C@H]1CCCCN1C(=O)CCCC1CCCC1 NC(=O)N[*:1] O=C(CCCC1CCCC1)N1CCCC[C@@H]1C[*:1]
CCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 CCC[*:1] CC(C)(C)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] CCCNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1c(C(=O)NCc2csc(=O)[nH]2)cnn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1c(cnn1[*:1])C(=O)NCc1csc(=O)[nH]1
Cc1c(C(=O)NCc2csc(=O)[nH]2)cnn1Cc1ccccc1 O=c1[nH]c(cs1)[*:1] Cc1c(cnn1Cc1ccccc1)C(=O)NC[*:1]
Cc1c(C(=O)NCc2csc(=O)[nH]2)cnn1Cc1ccccc1 O=c1[nH]c(cs1)C[*:1] Cc1c(cnn1Cc1ccccc1)C(=O)N[*:1]
Cc1c(C(=O)NCc2csc(=O)[nH]2)cnn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1C[*:1])C(=O)NCc1csc(=O)[nH]1
CCOC(=O)CCCNc1nc2cc(C)ccn2n1 CCOC(=O)C[*:1] Cc1ccn2nc(nc2c1)NCC[*:1]
CCOC(=O)CCCNc1nc2cc(C)ccn2n1 CCOC(=O)[*:1] Cc1ccn2nc(nc2c1)NCCC[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)[C@H](Oc1cccc(Cl)c1)[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C Clc1cccc(c1)O[*:1] Cc1ccc(cc1NC(=O)[C@H](C(C)C)[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C NC(=O)[*:1] Cc1ccc(cc1NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C)[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C Clc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)[C@H](O[*:1])C(C)C)C(N)=O
c1coc(C[NH2+][C@H]2CCCOc3c2ccc2ccccc32)c1 c1coc(c1)[*:1] c1ccc2c3OCCC[C@H]([NH2+]C[*:1])c3ccc2c1
c1coc(C[NH2+][C@H]2CCCOc3c2ccc2ccccc32)c1 c1coc(c1)C[*:1] c1ccc2c3OCCC[C@H]([NH2+][*:1])c3ccc2c1
CSc1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3cnccn3)C2)cc1 CSc1ccc(cc1)[*:1] Cc1ncc2CN(CCc2c1CNC(=O)c1cnccn1)C(=O)[*:1]
CSc1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3cnccn3)C2)cc1 c1cnc(cn1)[*:1] CSc1ccc(cc1)C(=O)N1CCc2c(cnc(C)c2CNC(=O)[*:1])C1
CSc1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3cnccn3)C2)cc1 O=C(N[*:1])c1cnccn1 CSc1ccc(cc1)C(=O)N1CCc2c(cnc(C)c2C[*:1])C1
CSc1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)c3cnccn3)C2)cc1 O=C(NC[*:1])c1cnccn1 CSc1ccc(cc1)C(=O)N1CCc2c(cnc(C)c2[*:1])C1
CCOc1ccc2cc3c(nc2c1)OC(=O)N(CCN1CCOCC1)C3 CCO[*:1] O=C1Oc2nc3cc(ccc3cc2CN1CCN1CCOCC1)[*:1]
CCOc1ccc2cc3c(nc2c1)OC(=O)N(CCN1CCOCC1)C3 C1CN(CCO1)[*:1] CCOc1ccc2cc3CN(CC[*:1])C(=O)Oc3nc2c1
CCOc1ccc2cc3c(nc2c1)OC(=O)N(CCN1CCOCC1)C3 C1CN(CCO1)C[*:1] CCOc1ccc2cc3CN(C[*:1])C(=O)Oc3nc2c1
CCOc1ccc2cc3c(nc2c1)OC(=O)N(CCN1CCOCC1)C3 C1CN(CCO1)CC[*:1] CCOc1ccc2cc3CN(C(=O)Oc3nc2c1)[*:1]
CCOC[C@@H](O)c1cc(Br)ccc1OC CCOC[*:1] COc1ccc(Br)cc1[C@H](O)[*:1]
CCOC[C@@H](O)c1cc(Br)ccc1OC CCO[*:1] COc1ccc(Br)cc1[C@H](O)C[*:1]
CSc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1F O=[N+]([O-])[*:1] CSc1ccc(cc1F)NC(=O)c1ccc(c(O)c1)[*:1]
Cc1cccc(CC(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)c(F)c2)c1 Fc1cc(ccc1Cl)[*:1] Cc1cccc(c1)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1cccc(CC(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)c(F)c2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(F)c1
Cc1cccc(CC(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)c(F)c2)c1 Cc1cccc(c1)C[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(F)c1)[*:1]
CSCC[C@H]1c2[nH+]c[nH]c2CCN1Cc1ccc(F)c(F)c1 CSCC[*:1] Fc1ccc(cc1F)CN1CCc2[nH]c[nH+]c2[C@@H]1[*:1]
CSCC[C@H]1c2[nH+]c[nH]c2CCN1Cc1ccc(F)c(F)c1 CSC[*:1] Fc1ccc(cc1F)CN1CCc2[nH]c[nH+]c2[C@@H]1C[*:1]
CCn1cc(C(=O)NCC(=O)OCC2CC2)cn1 C1CC1C[*:1] CCn1cc(cn1)C(=O)NCC(=O)O[*:1]
CCn1cc(C(=O)NCC(=O)OCC2CC2)cn1 C1CC1[*:1] CCn1cc(cn1)C(=O)NCC(=O)OC[*:1]
COc1ccc(C)cc1NC(=S)NNC(=O)c1ccncc1 c1cc(ccn1)[*:1] COc1ccc(C)cc1NC(=S)NNC(=O)[*:1]
C[C@@H](SCCc1cnn(C)c1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@@H](SCCc1cnn(C)c1)c1ccc(cc1)[*:1]
C[C@@H](SCCc1cnn(C)c1)c1ccc(OC(F)F)cc1 Cn1cc(cn1)C[*:1] C[C@@H](SC[*:1])c1ccc(cc1)OC(F)F
C[C@@H](SCCc1cnn(C)c1)c1ccc(OC(F)F)cc1 Cn1cc(cn1)[*:1] C[C@@H](SCC[*:1])c1ccc(cc1)OC(F)F
C[C@@H](SCCc1cnn(C)c1)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@@H](SCCc1cnn(C)c1)c1ccc(cc1)O[*:1]
COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4c(OC)cccc4OC)s3)CC2=O)cc1 COc1cccc(OC)c1[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)[*:1])s1
COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4c(OC)cccc4OC)s3)CC2=O)cc1 COc1ccc(cc1)[*:1] COc1cccc(OC)c1C(=O)Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1]
Cc1cc(-c2nnc(CN3CCc4c(cccc4[N+](=O)[O-])C3)o2)c(C)o1 O=[N+]([O-])[*:1] Cc1cc(-c2nnc(CN3CCc4c(cccc4[*:1])C3)o2)c(C)o1
Cc1cc(-c2nnc(CN3CCc4c(cccc4[N+](=O)[O-])C3)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=[N+]([O-])c1cccc2CN(CCc21)Cc1nnc(o1)[*:1]
COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Br)cc3n2)cc1 Brc1ccccc1[*:1] COc1ccc(cc1)-n1nc2cc(C)c(cc2n1)NC(=O)[*:1]
COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Br)cc3n2)cc1 COc1ccc(cc1)[*:1] Cc1cc2nn(nc2cc1NC(=O)c1ccccc1Br)[*:1]
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccccc1Br O=[N+]([O-])[*:1] O=C(NNc1cccc(c1)[*:1])Nc1ccccc1Br
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(NNc1cccc(c1)[N+](=O)[O-])N[*:1]
CC(C)C(=O)Nc1ccc(OCc2cc(-c3cccs3)on2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)OCc1cc(on1)-c1cccs1)[*:1]
CC(C)C(=O)Nc1ccc(OCc2cc(-c3cccs3)on2)cc1 CC(C)C(=O)N[*:1] c1csc(c1)-c1cc(COc2ccc(cc2)[*:1])no1
CC(C)C(=O)Nc1ccc(OCc2cc(-c3cccs3)on2)cc1 c1csc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)OCc1cc(on1)[*:1]
S=C(Nc1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] S=C(Nc1ccccc1)N[C@@H](Cc1ccccc1)[*:1]
S=C(Nc1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] S=C(Nc1ccccc1)N[C@@H](c1ccccc1)[*:1]
S=C(Nc1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] S=C(N[C@@H](Cc1ccccc1)c1ccccc1)N[*:1]
S=C(Nc1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] S=C(Nc1ccccc1)N[C@@H](C[*:1])c1ccccc1
CCn1c(=O)c2ccccc2n2c(Cn3nc(-c4cccs4)c4ccccc4c3=O)nnc12 c1csc(c1)[*:1] CCn1c(=O)c2ccccc2n2c(Cn3nc(c4ccccc4c3=O)[*:1])nnc12
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(F)cc1Cl Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)Nc1ccc(F)cc1Cl)[*:1]
CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)c1 CCO[*:1] CN1C(=O)C[C@H](S/C1=N\c1ccc(F)cc1)C(=O)Nc1cccc(c1)[*:1]
CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)c1 CCOc1cccc(c1)[*:1] CN1C(=O)C[C@H](S/C1=N\c1ccc(F)cc1)C(=O)N[*:1]
CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)c1 Fc1ccc(cc1)[*:1] CCOc1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C)C(=N[*:1])S1
CCn1ncc(C(=O)N2CCC(c3onc4c3C[C@H](C(C)(C)C)CC4)CC2)c1C CC(C)(C)[*:1] CCn1ncc(C(=O)N2CCC(CC2)c2onc3CC[C@@H](Cc32)[*:1])c1C
CCn1ncc(C(=O)N2CCC(c3onc4c3C[C@H](C(C)(C)C)CC4)CC2)c1C CCn1ncc(c1C)[*:1] CC(C)(C)[C@@H]1CCc2noc(c2C1)C1CCN(CC1)C(=O)[*:1]
C[C@H]1C[C@@H]1C(=O)Oc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@H]1C[C@@H]1C(=O)Oc1ccc(cc1)[*:1]
C[C@H]1C[C@@H]1C(=O)Oc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@H]1C[C@@H]1C(=O)Oc1ccc(cc1)NC(=O)[*:1]
Cc1noc(C)c1C(=O)N1CCC[C@H](c2cc3ccccc3c(=O)[nH]2)C1 Cc1noc(C)c1[*:1] O=C(N1CCC[C@@H](C1)c1cc2ccccc2c(=O)[nH]1)[*:1]
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N[*:1]
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CCNS(=O)(=O)[*:1]
O=C(OCc1nnnn1-c1ccccc1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(OCc1nnnn1-c1ccccc1)c1ccc(cc1)[*:1]
O=C(OCc1nnnn1-c1ccccc1)c1ccc(C(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C(OCc1nnnn1[*:1])c1ccc(cc1)C(F)(F)F
C=CC(=O)N[C@@H](C)c1nc2ccccc2n1C C=CC(=O)N[*:1] C[C@@H](c1nc2ccccc2n1C)[*:1]
C[NH2+][C@]1(C(=O)[O-])CC[C@H](Oc2cc(C(C)C)ccc2C)C1 O=C([O-])[*:1] C[NH2+][C@@]1(CC[C@@H](C1)Oc1cc(ccc1C)C(C)C)[*:1]
C[NH2+][C@]1(C(=O)[O-])CC[C@H](Oc2cc(C(C)C)ccc2C)C1 CC(C)[*:1] C[NH2+][C@@]1(CC[C@@H](C1)Oc1cc(ccc1C)[*:1])C(=O)[O-]
Cc1ccc2c(c1C)N(CC(=O)C(C)C)C(=O)C2=O CC(C)C(=O)[*:1] Cc1ccc2C(=O)C(=O)N(C[*:1])c2c1C
Cc1ccc2c(c1C)N(CC(=O)C(C)C)C(=O)C2=O CC(C)C(=O)C[*:1] Cc1ccc2C(=O)C(=O)N(c2c1C)[*:1]
Cc1ccc2c(c1C)N(CC(=O)C(C)C)C(=O)C2=O CC(C)[*:1] Cc1ccc2C(=O)C(=O)N(CC(=O)[*:1])c2c1C
O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccccn1 FC(F)O[*:1] O=C(Nc1ccc(c(F)c1)[*:1])c1ccccn1
O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccccn1 FC(F)[*:1] O=C(Nc1ccc(O[*:1])c(F)c1)c1ccccn1
O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1ccc(OC(F)F)c(F)c1)[*:1]
CSc1ncccc1C(=O)O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 CSc1ncccc1[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](OC(=O)[*:1])c1ccccc1
CSc1ncccc1C(=O)O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 c1ccc(cc1)[*:1] CSc1ncccc1C(=O)O[C@@H](C(=O)Nc1cc(C)ccc1C)[*:1]
CSc1ncccc1C(=O)O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 Cc1ccc(C)c(c1)[*:1] CSc1ncccc1C(=O)O[C@@H](C(=O)N[*:1])c1ccccc1
CS(=O)(=O)CCCOc1ccccc1Br CS(=O)(=O)[*:1] Brc1ccccc1OCCC[*:1]
CS(=O)(=O)CCCOc1ccccc1Br CS(=O)(=O)C[*:1] Brc1ccccc1OCC[*:1]
CN(Cc1ccccc1F)C[C@@H]1C(=O)C(C)(C)OC1(C)C Fc1ccccc1[*:1] CN(C[C@@H]1C(=O)C(C)(C)OC1(C)C)C[*:1]
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(O)c(Cl)c1 CSCC[*:1] O=C(N[C@H](C(=O)Nc1ccc(O)c(Cl)c1)[*:1])c1ccccc1Cl
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(O)c(Cl)c1 Oc1ccc(cc1Cl)[*:1] CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[*:1]
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(O)c(Cl)c1 Clc1ccccc1[*:1] CSCC[C@H](NC(=O)[*:1])C(=O)Nc1ccc(O)c(Cl)c1
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(O)c(Cl)c1 CSC[*:1] O=C(N[C@@H](C[*:1])C(=O)Nc1ccc(O)c(Cl)c1)c1ccccc1Cl
O=C(Nc1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 c1ccc(cc1)[*:1] O=C(N[*:1])N1CCC[C@H]1c1nc2ccccc2s1
C=CCS(=O)(=O)N1[C@H](C)C[NH2+]C[C@H]1C C=CC[*:1] C[C@@H]1C[NH2+]C[C@@H](C)N1S(=O)(=O)[*:1]
CN(C)C(=O)c1ccc(C[NH+](C)C2(CO)CCSCC2)[nH]1 CN(C)C(=O)[*:1] C[NH+](Cc1ccc([nH]1)[*:1])C1(CO)CCSCC1
C[C@H](CO)NC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 C1CC1n1nnnc1[*:1] C[C@H](CO)NC(=O)C(=O)Nc1cccc(c1)[*:1]
C[C@H](CO)NC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 C1CC1[*:1] C[C@H](CO)NC(=O)C(=O)Nc1cccc(c1)-c1nnnn1[*:1]
Cc1noc(C)c1S(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 Cc1noc(C)c1[*:1] O=S(=O)(N(Cc1ccc(Cl)c(Cl)c1)C1CC1)[*:1]
Cc1noc(C)c1S(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 C1CC1[*:1] Cc1noc(C)c1S(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)[*:1]
C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc2c(c1)CCCC2 c1cc2CCCCc2cc1[*:1] C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)[*:1]
COc1cc(C=O)ccc1OCC(=O)Nc1cc(C)nn1C(C)(C)C CC(C)(C)[*:1] COc1cc(C=O)ccc1OCC(=O)Nc1cc(C)nn1[*:1]
COc1ccc(-n2nnnc2S[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-n1nnnc1S[C@@H](C(=O)N1CCCCC1)[*:1]
COc1ccc(-n2nnnc2S[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 O=C(N1CCCCC1)[*:1] COc1ccc(cc1)-n1nnnc1S[C@@H](c1ccccc1)[*:1]
COc1ccc(-n2nnnc2S[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C([C@H](Sc1nnnn1[*:1])c1ccccc1)N1CCCCC1
C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 Clc1cccc(Cl)c1[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)S(=O)(=O)N(C)C
C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc(cc1)[*:1]
CCn1cc(-c2cn(CCCc3csc(N)n3)nn2)c(C)n1 Nc1nc(cs1)C[*:1] CCn1cc(-c2cn(CC[*:1])nn2)c(C)n1
CCn1cc(-c2cn(CCCc3csc(N)n3)nn2)c(C)n1 Nc1nc(cs1)[*:1] CCn1cc(-c2cn(CCC[*:1])nn2)c(C)n1
COC(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)C(C)C)cc1 COC(=O)[*:1] COC(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)[*:1]
COC(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)C(C)C)cc1 COC(=O)[*:1] COC(=O)[C@H](NC(=O)c1ccc(cc1)[*:1])C(C)C
COC(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)C(C)C)cc1 CC(C)[*:1] COC(=O)c1ccc(cc1)C(=O)N[C@@H](C(=O)OC)[*:1]
COC(=O)C(SC1=c2ccccc2=[NH+]C1)(C(F)(F)F)C(F)(F)F COC(=O)[*:1] FC(F)(F)C(SC1C[NH+]=c2ccccc2=1)(C(F)(F)F)[*:1]
COC(=O)C(SC1=c2ccccc2=[NH+]C1)(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] COC(=O)C(SC1C[NH+]=c2ccccc2=1)(C(F)(F)F)[*:1]
CCN(C[C@@H](C)C#N)C(=O)CSc1ccc(C(F)(F)F)cn1 C[C@@H](C#N)C[*:1] CCN(C(=O)CSc1ccc(cn1)C(F)(F)F)[*:1]
CCN(C[C@@H](C)C#N)C(=O)CSc1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] CCN(C[C@@H](C)C#N)C(=O)CSc1ccc(cn1)[*:1]
Cc1cc(C[C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)n[nH]1 c1ccc(nc1)[*:1] Cc1cc(C[C@H](C)[NH2+]C2CCN(CC2)C[*:1])n[nH]1
Cc1cc(C[C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@H]([NH2+]C1CCN(CC1)Cc1ccccn1)[*:1]
Cc1cc(C[C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@@H](C[*:1])[NH2+]C1CCN(CC1)Cc1ccccn1
Cc1cc(C[C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)n[nH]1 c1ccc(C[*:1])nc1 Cc1cc(C[C@H](C)[NH2+]C2CCN(CC2)[*:1])n[nH]1
COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@H](C)c1ccccc1 COC(=O)[C@@H](C)S[*:1] C[C@@H](NC(=O)c1ccccc1[*:1])c1ccccc1
COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@H](C)[*:1]
COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@H](C)c1ccccc1 COC(=O)[*:1] C[C@@H](NC(=O)c1ccccc1S[C@H](C)[*:1])c1ccccc1
COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[*:1]
COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@H](C)c1ccccc1 COC(=O)[C@@H](C)[*:1] C[C@@H](NC(=O)c1ccccc1S[*:1])c1ccccc1
CCOc1ccccc1OC(=O)Cn1nnc2ccccc21 CCO[*:1] O=C(Cn1nnc2ccccc21)Oc1ccccc1[*:1]
CS(=O)(=O)N1CCC[C@H](Cn2cc[nH+]c2C(N)=S)C1 NC(=S)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)Cn1cc[nH+]c1[*:1]
C[NH+](C)CCN1CC[NH+]([C@@H]2CC[C@@H](O)C2)CC1 C[NH+](C)C[*:1] O[C@@H]1CC[C@H](C1)[NH+]1CCN(CC1)C[*:1]
C[NH+](C)CCN1CC[NH+]([C@@H]2CC[C@@H](O)C2)CC1 C[NH+](C)CC[*:1] O[C@@H]1CC[C@H](C1)[NH+]1CCN(CC1)[*:1]
O=C(NCC1CCCCC1)c1ccc(N2CCCC2=O)cc1 C1CCC(CC1)[*:1] O=C(NC[*:1])c1ccc(cc1)N1CCCC1=O
O=C(NCC1CCCCC1)c1ccc(N2CCCC2=O)cc1 C1CCC(CC1)C[*:1] O=C(N[*:1])c1ccc(cc1)N1CCCC1=O
O=C(NCC1CCCCC1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(NCC1CCCCC1)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c(OC)c1 FC(F)(F)[*:1] COc1ccc(NC(=O)NC2(Oc3ccccc3O2)[*:1])c(c1)OC
Fc1c(F)c(F)c(/C=N/OCc2cc(-c3ccccc3)no2)c(F)c1F c1ccc(cc1)[*:1] Fc1c(F)c(F)c(/C=N/OCc2cc(no2)[*:1])c(F)c1F
CSc1nc2n(n1)CC(C(=O)Nc1cccc(Cl)c1)=C(C)N2 Clc1cccc(c1)[*:1] CSc1nc2NC(C)=C(Cn2n1)C(=O)N[*:1]
CO[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1nnc(C2CC2)n1C C1CC1[*:1] CO[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1nnc(n1C)[*:1]
OC[C@@H](C[C@@H]1Cc2cc(F)ccc2O1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] OC[C@@H](C[C@@H]1Cc2cc(F)ccc2O1)[*:1]
CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C)c(c1)[*:1]
Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)c3ccccc3F)n2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccccc1F)N(C[C@H]1CCCO1)c1nc(cs1)[*:1]
Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)c3ccccc3F)n2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-c1csc(n1)N(C[C@H]1CCCO1)C(=O)[*:1]
COc1cc2c(cc1OC)CN(C(=O)CCC(=O)c1ccc3c(c1)CCC3)CC2 c1cc2CCCc2cc1[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CCC(=O)[*:1]
CCCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2c(C)noc2C)c1 CCC[*:1] Cc1noc(C)c1[C@H](C)NC(=O)Nc1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2c(C)noc2C)c1 Cc1noc(C)c1[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)N[C@@H](C)[*:1]
CCCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2c(C)noc2C)c1 CCCC(=O)N[*:1] Cc1noc(C)c1[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
COCC(=O)N1CCC[C@@H](c2ccc(-c3cncnc3)cn2)C1 c1ncc(cn1)[*:1] COCC(=O)N1CCC[C@H](C1)c1ccc(cn1)[*:1]
COCC(=O)N1CCC[C@@H](c2ccc(-c3cncnc3)cn2)C1 COC[*:1] O=C(N1CCC[C@H](C1)c1ccc(cn1)-c1cncnc1)[*:1]
O=[N+]([O-])c1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1O O=[N+]([O-])[*:1] Oc1cc(ccc1[*:1])CN1CCS[C@@H]2CCCC[C@@H]21
COc1cc(C(=O)N(C)C)ccc1NC(=O)NNc1ccc(F)cc1 CN(C)C(=O)[*:1] COc1cc(ccc1NC(=O)NNc1ccc(F)cc1)[*:1]
COc1cc(C(=O)N(C)C)ccc1NC(=O)NNc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cc(ccc1NC(=O)NN[*:1])C(=O)N(C)C
O=C(NCC1(c2ccc(F)cc2)CCOCC1)Nc1ccccc1N1CCCC1 Fc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])Nc1ccccc1N1CCCC1
O=C(NCC1(c2ccc(F)cc2)CCOCC1)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] O=C(NCC1(CCOCC1)c1ccc(F)cc1)Nc1ccccc1[*:1]
O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 C1CCN(C1)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)Nc1ccccc1)Nc1cc(ccc1[*:1])C(F)(F)F
O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 O=C(Nc1ccccc1)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1cc(ccc1N1CCCC1)C(F)(F)F
O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 FC(F)(F)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)Nc1ccccc1)Nc1cc(ccc1N1CCCC1)[*:1]
O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)N[*:1])Nc1cc(ccc1N1CCCC1)C(F)(F)F
CCCCCC(C)(C)CNc1cc[nH+]cc1 CCCCC[*:1] CC(C)(CNc1cc[nH+]cc1)[*:1]
CCCCCC(C)(C)CNc1cc[nH+]cc1 CCCC[*:1] CC(C)(CNc1cc[nH+]cc1)C[*:1]
CCCCCC(C)(C)CNc1cc[nH+]cc1 CCC[*:1] CC(C)(CC[*:1])CNc1cc[nH+]cc1
C[C@H]1Cc2ccccc2N1C(=O)N[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)N[C@@H]1CCN(C1)[*:1]
COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(C)cc1C Fc1ccc(cc1)[*:1] COc1cc(=O)n(nc1C(=O)Nc1ccc(C)cc1C)[*:1]
COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] COc1cc(=O)n(nc1C(=O)N[*:1])-c1ccc(F)cc1
Cc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H]1COc2ccccc2O1
O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCC(c2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1c[nH]c(=S)n1[*:1])N1CCC(CC1)c1ccccc1
O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCC(CC1)[*:1]
Cc1ccccc1C/C(N)=N/OCC(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1ccccc1C/C(N)=N/OCC(=O)N[*:1]
Cc1ccccc1C/C(N)=N/OCC(=O)NC1CCCC1 Cc1ccccc1[*:1] N/C(C[*:1])=N\OCC(=O)NC1CCCC1
O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)N1CCC1 O=C(N1CCC1)[*:1] O=S1(=O)CCCN1c1ccc(C=C[*:1])cc1
O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)N1CCC1 O=S1(=O)CCCN1[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCC1
Cn1cccc1C[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 Cn1cccc1C[*:1] O=C(c1cccc(F)c1)N1CC[NH+](CC1)[*:1]
Cn1cccc1C[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 Cn1cccc1[*:1] O=C(c1cccc(F)c1)N1CC[NH+](CC1)C[*:1]
Cn1cccc1C[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] Cn1cccc1C[NH+]1CCN(CC1)C(=O)[*:1]
O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)NCC[NH+]1CCCCCC1 c1ccc(cc1)[*:1] O=C(Cn1ncn2nc(cc2c1=O)[*:1])NCC[NH+]1CCCCCC1
CC(C)CC(C)(C)CNC(=O)[C@H]1CCO[C@H]1C CC(C)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCC(C)(C)C[*:1]
CC(C)CC(C)(C)CNC(=O)[C@H]1CCO[C@H]1C CC(C)C[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCC(C)(C)[*:1]
CCOc1ccccc1N/C([O-])=C(\C#N)C(=O)c1cc(C)n(-c2cccnc2)c1C CCO[*:1] Cc1cc(C(=O)/C(C#N)=C(\[O-])Nc2ccccc2[*:1])c(C)n1-c1cccnc1
CCOc1ccccc1N/C([O-])=C(\C#N)C(=O)c1cc(C)n(-c2cccnc2)c1C CCOc1ccccc1[*:1] Cc1cc(C(=O)/C(C#N)=C(\[O-])N[*:1])c(C)n1-c1cccnc1
CCOc1ccccc1N/C([O-])=C(\C#N)C(=O)c1cc(C)n(-c2cccnc2)c1C c1cncc(c1)[*:1] CCOc1ccccc1N/C([O-])=C(\C#N)C(=O)c1cc(C)n(c1C)[*:1]
CCOc1ccccc1N/C([O-])=C(\C#N)C(=O)c1cc(C)n(-c2cccnc2)c1C CCOc1ccccc1N[*:1] Cc1cc(C(=O)/C(C#N)=C(\[O-])[*:1])c(C)n1-c1cccnc1
Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)NC[*:1])S(=O)(=O)N1CCCC[C@H]1C
Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)N1CCCC[C@H]1C
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)OC COC(C)(C)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)OC CC[S@@](=O)[*:1] COC(C)(C)CNC(=O)N[C@H]1CCCC[C@@H]1[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)OC COC(C)(C)C[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N[*:1]
CCOc1cc(CNCc2ncnn2C)cc(Cl)c1OC Cn1ncnc1C[*:1] CCOc1cc(cc(Cl)c1OC)CN[*:1]
CCOc1cc(CNCc2ncnn2C)cc(Cl)c1OC Cn1ncnc1[*:1] CCOc1cc(cc(Cl)c1OC)CNC[*:1]
CCOc1cc(CNCc2ncnn2C)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(cc1[*:1])CNCc1ncnn1C
NC(=O)c1cccc(CNC(=O)N2CCC(CCc3ccccc3)CC2)c1 NC(=O)c1cccc(c1)[*:1] O=C(NC[*:1])N1CCC(CCc2ccccc2)CC1
NC(=O)c1cccc(CNC(=O)N2CCC(CCc3ccccc3)CC2)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])N1CCC(CCc2ccccc2)CC1
NC(=O)c1cccc(CNC(=O)N2CCC(CCc3ccccc3)CC2)c1 c1ccc(cc1)CC[*:1] NC(=O)c1cccc(c1)CNC(=O)N1CCC(CC1)[*:1]
NC(=O)c1cccc(CNC(=O)N2CCC(CCc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] NC(=O)c1cccc(c1)CNC(=O)N1CCC(CC1)C[*:1]
NC(=O)c1cccc(CNC(=O)N2CCC(CCc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] NC(=O)c1cccc(c1)CNC(=O)N1CCC(CC1)CC[*:1]
CCOc1cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)ccc1O CCO[*:1] Cc1cccc(c1C)N1CC[NH+](CC1)Cc1ccc(O)c(c1)[*:1]
CCOc1cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)ccc1O Cc1cccc(c1C)[*:1] CCOc1cc(ccc1O)C[NH+]1CCN(CC1)[*:1]
CC(C)Oc1ccccc1[C@H](O)c1nnc(-c2ccccc2)o1 CC(C)O[*:1] O[C@H](c1nnc(o1)-c1ccccc1)c1ccccc1[*:1]
CC(C)Oc1ccccc1[C@H](O)c1nnc(-c2ccccc2)o1 CC(C)[*:1] O[C@H](c1nnc(o1)-c1ccccc1)c1ccccc1O[*:1]
CC(C)Oc1ccccc1[C@H](O)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] CC(C)Oc1ccccc1[C@H](O)c1nnc(o1)[*:1]
Cc1nc(CCC[C@H]([NH3+])c2ccccc2)sc1C c1ccc(cc1)[*:1] Cc1nc(CCC[C@H]([NH3+])[*:1])sc1C
CC(C)(NC(=O)C[C@H](O)c1cccc(F)c1)C(=O)NCC1CCCC1 C1CCC(C1)C[*:1] CC(C)(NC(=O)C[C@H](O)c1cccc(F)c1)C(=O)N[*:1]
CC(C)(NC(=O)C[C@H](O)c1cccc(F)c1)C(=O)NCC1CCCC1 Fc1cccc(c1)[*:1] CC(C)(NC(=O)C[C@H](O)[*:1])C(=O)NCC1CCCC1
CC(C)(NC(=O)C[C@H](O)c1cccc(F)c1)C(=O)NCC1CCCC1 C1CCC(C1)[*:1] CC(C)(NC(=O)C[C@H](O)c1cccc(F)c1)C(=O)NC[*:1]
CCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)OC)CC2)cc1 CCO[*:1] COC(=O)N1CCC(CC1)CNS(=O)(=O)c1ccc(cc1)[*:1]
CCC[NH2+][C@H]1CC[C@@H](N(C)CCc2ccncc2)C1 c1cc(ccn1)[*:1] CCC[NH2+][C@H]1CC[C@H](C1)N(C)CC[*:1]
CCC[NH2+][C@H]1CC[C@@H](N(C)CCc2ccncc2)C1 CCC[*:1] CN(CCc1ccncc1)[C@@H]1CC[C@@H](C1)[NH2+][*:1]
O=S(=O)(C(N=C(Cl)Cl)=C(Cl)Cl)c1ccccc1 ClC(Cl)=N[*:1] O=S(=O)(C(=C(Cl)Cl)[*:1])c1ccccc1
COCC[C@H](C)C(=O)N[C@@H](C)CS(C)(=O)=O COCC[*:1] C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H](C)[*:1]
COCC[C@H](C)C(=O)N[C@@H](C)CS(C)(=O)=O COC[*:1] C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H](C)C[*:1]
COCC[C@H](C)C(=O)N[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] COCC[C@H](C)C(=O)N[C@@H](C)C[*:1]
COCC[C@H](C)C(=O)N[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] COCC[C@H](C)C(=O)N[C@@H](C)[*:1]
CC(C)C[C@H]1COCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CC(C)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N1CCOC[C@@H]1C[*:1]
CC(C)C[C@H]1COCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CC(C)C[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N1CCOC[C@@H]1[*:1]
C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@@H]1N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)[C@@H]1COc2ccccc21
CCc1nn(C)cc1C(=O)NNC(=O)Cc1cccnc1 c1cncc(c1)[*:1] CCc1nn(C)cc1C(=O)NNC(=O)C[*:1]
CCc1nn(C)cc1C(=O)NNC(=O)Cc1cccnc1 c1cncc(c1)C[*:1] CCc1nn(C)cc1C(=O)NNC(=O)[*:1]
CCC[NH2+][C@@H](c1ccn(C)n1)[C@H]1CCCc2cccnc21 Cn1ccc(n1)[*:1] CCC[NH2+][C@@H]([C@H]1CCCc2cccnc21)[*:1]
CCC[NH2+][C@@H](c1ccn(C)n1)[C@H]1CCCc2cccnc21 CCC[*:1] Cn1ccc(n1)[C@H]([NH2+][*:1])[C@H]1CCCc2cccnc21
COc1cc2cc(N)c(C3CCN(C(=O)[C@@H](C)CN4CCOCC4)CC3)nc2cc1OC C1CN(CCO1)[*:1] COc1cc2cc(N)c(nc2cc1OC)C1CCN(CC1)C(=O)[C@@H](C)C[*:1]
COc1cc2cc(N)c(C3CCN(C(=O)[C@@H](C)CN4CCOCC4)CC3)nc2cc1OC C1CN(CCO1)C[*:1] COc1cc2cc(N)c(nc2cc1OC)C1CCN(CC1)C(=O)[C@@H](C)[*:1]
Cc1nc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)ccc1C#N CN(C)C(=O)[*:1] Cc1nc(ccc1C#N)C(=O)Nc1cc(ccc1Cl)[*:1]
C[NH+](C)[C@@H](CNC(=O)NNC(=O)c1ccccc1O)c1ccccc1 Oc1ccccc1[*:1] C[NH+](C)[C@@H](CNC(=O)NNC(=O)[*:1])c1ccccc1
C[NH+](C)[C@@H](CNC(=O)NNC(=O)c1ccccc1O)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)NNC(=O)c1ccccc1O)[*:1]
NC(=O)c1cnc(N[C@@H]2CC(=O)N(CC(F)(F)F)C2)c(Cl)c1 FC(F)(F)[*:1] NC(=O)c1cnc(N[C@@H]2CC(=O)N(C2)C[*:1])c(Cl)c1
NC(=O)c1cnc(N[C@@H]2CC(=O)N(CC(F)(F)F)C2)c(Cl)c1 FC(F)(F)C[*:1] NC(=O)c1cnc(N[C@@H]2CC(=O)N(C2)[*:1])c(Cl)c1
NC(=O)c1cnc(N[C@@H]2CC(=O)N(CC(F)(F)F)C2)c(Cl)c1 NC(=O)[*:1] O=C1C[C@H](CN1CC(F)(F)F)Nc1ncc(cc1Cl)[*:1]
COCCn1ccc2ccc(NC(=O)c3cn(CC(=O)N(C)C)nn3)cc21 CN(C)C(=O)C[*:1] COCCn1ccc2ccc(cc21)NC(=O)c1cn(nn1)[*:1]
COCCn1ccc2ccc(NC(=O)c3cn(CC(=O)N(C)C)nn3)cc21 COCC[*:1] CN(C)C(=O)Cn1cc(nn1)C(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)c3cn(CC(=O)N(C)C)nn3)cc21 CN(C)C(=O)[*:1] COCCn1ccc2ccc(cc21)NC(=O)c1cn(C[*:1])nn1
COCCn1ccc2ccc(NC(=O)c3cn(CC(=O)N(C)C)nn3)cc21 COC[*:1] CN(C)C(=O)Cn1cc(nn1)C(=O)Nc1ccc2ccn(C[*:1])c2c1
COc1ccc(NC(=O)N(C)CCC(C)C)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)NC(=O)N(C)C[*:1]
COc1ccc(NC(=O)N(C)CCC(C)C)cc1OC CC(C)CC[*:1] COc1ccc(cc1OC)NC(=O)N(C)[*:1]
COc1ccc(NC(=O)N(C)CCC(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)NC(=O)N(C)CC[*:1]
Cc1nc2ccc(OC(F)(F)F)cc2cc1C(=O)N(C)CC(N)=O NC(=O)C[*:1] Cc1nc2ccc(cc2cc1C(=O)N(C)[*:1])OC(F)(F)F
Cc1nc2ccc(OC(F)(F)F)cc2cc1C(=O)N(C)CC(N)=O CN(CC(N)=O)C(=O)[*:1] Cc1nc2ccc(cc2cc1[*:1])OC(F)(F)F
Cc1nc2ccc(OC(F)(F)F)cc2cc1C(=O)N(C)CC(N)=O FC(F)(F)O[*:1] Cc1nc2ccc(cc2cc1C(=O)N(C)CC(N)=O)[*:1]
Cc1nc2ccc(OC(F)(F)F)cc2cc1C(=O)N(C)CC(N)=O FC(F)(F)[*:1] Cc1nc2ccc(cc2cc1C(=O)N(C)CC(N)=O)O[*:1]
Cc1nc2ccc(OC(F)(F)F)cc2cc1C(=O)N(C)CC(N)=O NC(=O)[*:1] Cc1nc2ccc(cc2cc1C(=O)N(C)C[*:1])OC(F)(F)F
CO[C@]1(C)C[C@@H](N(C)C(=O)NCC(=O)N(C)C)C1(C)C CN(C)C(=O)[*:1] CO[C@]1(C)C[C@@H](N(C)C(=O)NC[*:1])C1(C)C
CO[C@]1(C)C[C@@H](N(C)C(=O)NCC(=O)N(C)C)C1(C)C CN(C)C(=O)C[*:1] CO[C@]1(C)C[C@@H](N(C)C(=O)N[*:1])C1(C)C
COc1cccc(Nc2nnc(SCC(=O)Nc3cccc(Cl)c3)s2)c1 Clc1cccc(c1)[*:1] COc1cccc(c1)Nc1nnc(SCC(=O)N[*:1])s1
COc1cccc(Nc2nnc(SCC(=O)Nc3cccc(Cl)c3)s2)c1 COc1cccc(c1)[*:1] O=C(CSc1nnc(N[*:1])s1)Nc1cccc(Cl)c1
Cc1csc(=O)n1CCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 Cc1csc(=O)n1[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)CC[*:1])sc2c1
Cc1csc(=O)n1CCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 Cc1csc(=O)n1C[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)C[*:1])sc2c1
Cc1csc(=O)n1CCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 CS(=O)(=O)[*:1] Cc1csc(=O)n1CCC(=O)Nc1nc2ccc(cc2s1)[*:1]
Cc1nn(C[C@H]2COc3ccccc32)cc1C[NH2+]C1CC1 C1CC1[*:1] Cc1nn(cc1C[NH2+][*:1])C[C@H]1COc2ccccc21
O=C(CN1CC[NH+](Cc2cccnc2)CC1)NC[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)C[*:1] O=C(CN1CC[NH+](CC1)Cc1cccnc1)N[*:1]
O=C(CN1CC[NH+](Cc2cccnc2)CC1)NC[C@H]1CCS(=O)(=O)C1 c1cncc(c1)C[*:1] O=C(CN1CC[NH+](CC1)[*:1])NC[C@H]1CCS(=O)(=O)C1
O=C(CN1CC[NH+](Cc2cccnc2)CC1)NC[C@H]1CCS(=O)(=O)C1 c1cncc(c1)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])NC[C@H]1CCS(=O)(=O)C1
O=C(CN1CC[NH+](Cc2cccnc2)CC1)NC[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(CN1CC[NH+](CC1)Cc1cccnc1)NC[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccs3)ccc2O1 C[C@H]1Cc2cc(ccc2O1)[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccs1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccs3)ccc2O1 c1csc(c1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]1[*:1]
C=CCO/C([O-])=C1\C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@H]2[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCO/C([O-])=C1\C(C)=NC2=NC(=NC(=O)[C@H]2[C@@H]1[*:1])SCC(C)C
C=CCO/C([O-])=C1\C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@H]2[C@H]1c1ccc(F)cc1 C=CC[*:1] CC1=NC2=NC(=NC(=O)[C@H]2[C@H](/C1=C(\[O-])O[*:1])c1ccc(F)cc1)SCC(C)C
C=CCO/C([O-])=C1\C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@H]2[C@H]1c1ccc(F)cc1 C=CCO[*:1] CC1=NC2=NC(=NC(=O)[C@H]2[C@H](C1=C([O-])[*:1])c1ccc(F)cc1)SCC(C)C
C=CCO/C([O-])=C1\C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@H]2[C@H]1c1ccc(F)cc1 CC(C)C[*:1] C=CCO/C([O-])=C1\C(C)=NC2=NC(=NC(=O)[C@H]2[C@H]1c1ccc(F)cc1)S[*:1]
C=CCO/C([O-])=C1\C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@H]2[C@H]1c1ccc(F)cc1 CC(C)[*:1] C=CCO/C([O-])=C1\C(C)=NC2=NC(=NC(=O)[C@H]2[C@H]1c1ccc(F)cc1)SC[*:1]
O=C(c1cc(-c2ccccc2)on1)N1C[C@H](O)[C@H](O)C1 c1ccc(cc1)[*:1] O=C(c1cc(on1)[*:1])N1C[C@H](O)[C@H](O)C1
N#Cc1cccc(S(=O)(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 c1ccc(cc1)C[*:1] N#Cc1cccc(c1)S(=O)(=O)N[C@H]1CCCc2c1cnn2[*:1]
N#Cc1cccc(S(=O)(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 N#Cc1cccc(c1)[*:1] O=S(=O)(N[C@H]1CCCc2c1cnn2Cc1ccccc1)[*:1]
N#Cc1cccc(S(=O)(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)S(=O)(=O)N[C@H]1CCCc2c1cnn2C[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 FC(F)(F)[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)N[C@@H]1CCN(C1)C[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 CC(C)NC(=O)C[*:1] O=C(N[C@@H]1CCN(C1)CC(F)(F)F)N1CCN(CC1)[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)C(=O)N[C@@H]1CCN(C1)CC(F)(F)F)N[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 CC(C)NC(=O)[*:1] O=C(N[C@@H]1CCN(C1)CC(F)(F)F)N1CCN(CC1)C[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 FC(F)(F)C[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)N[C@@H]1CCN(C1)[*:1]
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(Br)c(F)c1 Fc1cc(ccc1Br)[*:1] COC(=O)c1cc(ccc1NC(=O)[*:1])N1CCOCC1
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(Br)c(F)c1 COC(=O)[*:1] O=C(Nc1ccc(cc1[*:1])N1CCOCC1)c1ccc(Br)c(F)c1
COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(Br)c(F)c1 C1CN(CCO1)[*:1] COC(=O)c1cc(ccc1NC(=O)c1ccc(Br)c(F)c1)[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 CC(C)(C)NC(=O)[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)Nc1ccccc1[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 CC(C)(C)[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 CC(C)(C)[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)Nc1ccccc1C(=O)N[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC2CCN(C(=O)OC(C)(C)C)CC2)C1 CC(C)(C)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC1CCN(CC1)C(=O)O[*:1]
CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 c1ccc(cc1)C[*:1] CCn1c(CN2CC[NH+](CC2)[*:1])nc2cc(ccc21)NC(=O)c1ccc(Cl)cc1
CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 c1ccc(cc1)[*:1] CCn1c(CN2CC[NH+](CC2)C[*:1])nc2cc(ccc21)NC(=O)c1ccc(Cl)cc1
CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 Clc1ccc(cc1)[*:1] CCn1c(CN2CC[NH+](CC2)Cc2ccccc2)nc2cc(ccc21)NC(=O)[*:1]
CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 O=C(N[*:1])c1ccc(Cl)cc1 CCn1c(CN2CC[NH+](CC2)Cc2ccccc2)nc2cc(ccc21)[*:1]
Cc1noc([C@@H]2CCCN(C(=O)[C@H]3SCCc4ccccc43)C2)n1 Cc1noc(n1)[*:1] O=C([C@H]1SCCc2ccccc21)N1CCC[C@H](C1)[*:1]
Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 CN(C(=O)[*:1])c1ccccc1 Cc1c(oc2CCC/C(=N\NS(=O)(=O)c3ccc(F)cc3)c21)[*:1]
Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 Fc1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NS(=O)(=O)[*:1])c21)C(=O)N(C)c1ccccc1
Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 c1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NS(=O)(=O)c3ccc(F)cc3)c21)C(=O)N(C)[*:1]
C=CC[NH2+]CC(=O)Nc1ccnn1C C=CC[*:1] Cn1nccc1NC(=O)C[NH2+][*:1]
CCCCCc1c([O-])[nH+]c2n(c1=O)CCCS2 CCCCC[*:1] O=c1c(c([O-])[nH+]c2SCCCn21)[*:1]
CCCCCc1c([O-])[nH+]c2n(c1=O)CCCS2 CCCC[*:1] O=c1c(C[*:1])c([O-])[nH+]c2SCCCn21
CCCCCc1c([O-])[nH+]c2n(c1=O)CCCS2 CCC[*:1] O=c1c(CC[*:1])c([O-])[nH+]c2SCCCn21
COC(=O)c1ccsc1NC(=O)C(=O)NCC(C)(C)c1ccccc1C COC(=O)[*:1] Cc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1sccc1[*:1]
COC(=O)c1ccsc1NC(=O)C(=O)NCC(C)(C)c1ccccc1C Cc1ccccc1[*:1] COC(=O)c1ccsc1NC(=O)C(=O)NCC(C)(C)[*:1]
N#C[C@H]1COCCN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] N#C[C@H]1COCCN1Cc1cn(C[*:1])nc1-c1cccnc1
N#C[C@H]1COCCN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] N#C[C@H]1COCCN1Cc1cn(Cc2ccccc2)nc1[*:1]
N#C[C@H]1COCCN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 c1ccc(cc1)C[*:1] N#C[C@H]1COCCN1Cc1cn(nc1-c1cccnc1)[*:1]
O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1c[nH]ccc1=O O=c1cc[nH]cc1[*:1] O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[*:1]
COC(=O)c1nn(-c2ccc([O-])nn2)nc1C COC(=O)[*:1] Cc1nn(nc1[*:1])-c1ccc([O-])nn1
CC(C)[NH2+]Cc1cn([C@@H](C)[C@H](C)O)nn1 CC(C)[*:1] C[C@H](O)[C@H](C)n1cc(C[NH2+][*:1])nn1
CC(C)[NH2+]Cc1cn([C@@H](C)[C@H](C)O)nn1 C[C@H](O)[C@H](C)[*:1] CC(C)[NH2+]Cc1cn(nn1)[*:1]
CC(C)[NH2+]Cc1cn([C@@H](C)[C@H](C)O)nn1 C[C@H](O)[*:1] CC(C)[NH2+]Cc1cn(nn1)[C@@H](C)[*:1]
CC(C)[NH2+]Cc1cn([C@@H](C)[C@H](C)O)nn1 CC(C)[NH2+]C[*:1] C[C@H](O)[C@H](C)n1cc(nn1)[*:1]
CCC1(CC)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O c1ccc(cc1)[*:1] CCC1(CC)NC(=O)N(CC(=O)N2CCN(CC2)S(=O)(=O)[*:1])C1=O
O=C(C[C@H]1[NH+]=C(N2CCN(c3ccccc3)CC2)NC1=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C1NC(=[NH+][C@@H]1C[*:1])N1CCN(CC1)c1ccccc1
O=C(C[C@H]1[NH+]=C(N2CCN(c3ccccc3)CC2)NC1=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1[NH+]=C(NC1=O)N1CCN(CC1)c1ccccc1)N[*:1]
O=C(C[C@H]1[NH+]=C(N2CCN(c3ccccc3)CC2)NC1=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1[NH+]=C(NC1=O)N1CCN(CC1)[*:1])Nc1ccccc1
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)c1cccc2ccccc12 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCNS(=O)(=O)[*:1])c1cccc2ccccc12
N#Cc1ccc(N2CCn3nc(C(=O)N4CCCC4)cc3C2)nc1 O=C(N1CCCC1)[*:1] N#Cc1ccc(nc1)N1CCn2nc(cc2C1)[*:1]
N#Cc1ccc(N2CCn3nc(C(=O)N4CCCC4)cc3C2)nc1 N#Cc1ccc(nc1)[*:1] O=C(c1cc2CN(CCn2n1)[*:1])N1CCCC1
N#C[C@H]1CN(C(=O)c2cc(NN)ccc2[N+](=O)[O-])CCO1 O=[N+]([O-])[*:1] N#C[C@H]1CN(CCO1)C(=O)c1cc(ccc1[*:1])NN
Cc1ccccc1Cc1noc(C[NH+]2CCCSCC2)n1 Cc1ccccc1[*:1] C1CSCC[NH+](C1)Cc1nc(C[*:1])no1
COc1ccc(N2/C(=N/C(=O)CC3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 COc1ccc(cc1)[*:1] O=C(CC1CCCCC1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
COc1ccc(N2/C(=N/C(=O)CC3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 C1CCC(CC1)C[*:1] COc1ccc(cc1)N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
COc1ccc(N2/C(=N/C(=O)CC3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
COc1ccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1F COc1ccc(cc1F)[*:1] CN(C[*:1])C(=O)c1nn(-c2ccc(F)cc2)c2CCCCc12
COc1ccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1F COc1ccc(cc1F)C[*:1] CN(C(=O)c1nn(-c2ccc(F)cc2)c2CCCCc12)[*:1]
COc1ccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1F Fc1ccc(cc1)[*:1] COc1ccc(cc1F)CN(C)C(=O)c1nn(c2CCCCc12)[*:1]
CCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 CCC[*:1] CC(=O)c1ccc(cc1)NS(=O)(=O)c1cc(C)c(C)cc1O[*:1]
CCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 CC(=O)[*:1] CCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(cc1)[*:1]
CCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 CCCO[*:1] CC(=O)c1ccc(cc1)NS(=O)(=O)c1cc(C)c(C)cc1[*:1]
Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)n1 Cc1cc(C)nc(n1)N[*:1] CN(C)S(=O)(=O)N1CCC[C@@H](C1)c1ccc(cn1)[*:1]
Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)n1 Cc1cc(C)nc(n1)[*:1] CN(C)S(=O)(=O)N1CCC[C@@H](C1)c1ccc(cn1)N[*:1]
FC(F)(F)c1ccc(N2CCCN(c3ncnc4c3cnn4-c3ccccc3)CC2)nc1 FC(F)(F)[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)N1CCCN(CC1)c1ccc(cn1)[*:1]
FC(F)(F)c1ccc(N2CCCN(c3ncnc4c3cnn4-c3ccccc3)CC2)nc1 c1ccc(cc1)[*:1] FC(F)(F)c1ccc(nc1)N1CCCN(CC1)c1ncnc2c1cnn2[*:1]
FC(F)(F)c1ccc(N2CCCN(c3ncnc4c3cnn4-c3ccccc3)CC2)nc1 FC(F)(F)c1ccc(nc1)[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)N1CCCN(CC1)[*:1]
CC(C)N(C(=O)C[S@@](=O)c1nncn1C(C)C)c1ccccc1 CC(C)[*:1] CC(C)N(C(=O)C[S@@](=O)c1nncn1[*:1])c1ccccc1
CC(C)N(C(=O)C[S@@](=O)c1nncn1C(C)C)c1ccccc1 CC(C)[*:1] CC(C)n1cnnc1[S@](=O)CC(=O)N(c1ccccc1)[*:1]
CC(C)N(C(=O)C[S@@](=O)c1nncn1C(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)C[S@@](=O)c1nncn1C(C)C)[*:1]
COC(=O)Cc1ccccc1NC(=O)c1cnc(C2CC2)s1 C1CC1[*:1] COC(=O)Cc1ccccc1NC(=O)c1cnc(s1)[*:1]
COC(=O)Cc1ccccc1NC(=O)c1cnc(C2CC2)s1 COC(=O)C[*:1] O=C(Nc1ccccc1[*:1])c1cnc(s1)C1CC1
COC(=O)Cc1ccccc1NC(=O)c1cnc(C2CC2)s1 COC(=O)[*:1] O=C(Nc1ccccc1C[*:1])c1cnc(s1)C1CC1
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)Oc1ccccc1C#N N#Cc1ccccc1[*:1] Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)O[*:1]
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)Oc1ccccc1C#N N#Cc1ccccc1O[*:1] Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)[*:1]
Cc1ccc2cccc(OCC(=O)Nc3ccc(F)cc3)c2n1 Fc1ccc(cc1)[*:1] Cc1ccc2cccc(OCC(=O)N[*:1])c2n1
C[C@@H]1Cc2cc(C(=O)N(C)Cc3ccc4c(c3)OCO4)ccc2N1S(C)(=O)=O c1cc2OCOc2cc1[*:1] C[C@@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)N(C)C[*:1]
COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccn2)cc1 COc1ccc(cc1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)N[*:1])c1ccccn1
COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)NC(=O)C1=C(C)Nc2ncnn2[C@H]1[*:1]
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1nccs1 O=Cc1ccc(cc1)[*:1] Cc1cc(CO[*:1])oc1C(=O)Nc1nccs1
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] Cc1cc(COc2ccc(C=O)cc2)oc1[*:1]
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1nccs1 c1csc(n1)[*:1] Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[*:1]
Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 Cc1cccc(c1[*:1])C(C)C O=C(C[NH+]1CCC(CC1)CN1CCc2ccccc21)N[*:1]
Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 c1ccc2c(c1)CCN2[*:1] Cc1cccc(c1NC(=O)C[NH+]1CCC(CC1)C[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 c1ccc2c(c1)CCN2C[*:1] Cc1cccc(c1NC(=O)C[NH+]1CCC(CC1)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 CC(C)[*:1] Cc1cccc(c1NC(=O)C[NH+]1CCC(CC1)CN1CCc2ccccc21)[*:1]
CN(Cc1ccc(Br)o1)C(=O)Nc1ccccc1F Brc1ccc(o1)[*:1] CN(C[*:1])C(=O)Nc1ccccc1F
CCOc1ccc(S(=O)(=O)/N=c2/nc3nc[nH]c3c([O-])[nH]2)cc1 CCO[*:1] O=S(=O)(/N=c1/nc2nc[nH]c2c([O-])[nH]1)c1ccc(cc1)[*:1]
CCCCC[C@@]1(Br)C(=O)c2ccccc2N=C1O CCCC[*:1] O=C1c2ccccc2N=C(O)[C@@]1(Br)C[*:1]
CCCCC[C@@]1(Br)C(=O)c2ccccc2N=C1O CCCCC[*:1] O=C1c2ccccc2N=C(O)[C@]1(Br)[*:1]
CCCCC[C@@]1(Br)C(=O)c2ccccc2N=C1O CCC[*:1] O=C1c2ccccc2N=C(O)[C@@]1(Br)CC[*:1]
O=C(COc1ccc(C(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1 O=C(N1CCOCC1)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccc(I)cc1
O=C(COc1ccc(C(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(COc1ccc(cc1)C(=O)N1CCOCC1)N[*:1]
CC(=O)Nc1cc2nc(N)sc2cc1NC(C)=O CC(=O)N[*:1] CC(=O)Nc1cc2nc(N)sc2cc1[*:1]
CC(=O)Nc1cc2nc(N)sc2cc1NC(C)=O CC(=O)N[*:1] CC(=O)Nc1cc2sc(N)nc2cc1[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N CCC[C@H](C)[*:1] Cc1cc(c(C#N)c(n1)S[C@H](C)C(=O)N[*:1])C(F)(F)F
CCC[C@H](C)NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N CCC[*:1] Cc1cc(c(C#N)c(n1)S[C@H](C)C(=O)N[C@@H](C)[*:1])C(F)(F)F
CCC[C@H](C)NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N CCC[C@H](C)NC(=O)[*:1] Cc1cc(c(C#N)c(n1)S[C@H](C)[*:1])C(F)(F)F
CCC[C@H](C)NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N FC(F)(F)[*:1] CCC[C@H](C)NC(=O)[C@@H](C)Sc1nc(C)cc(c1C#N)[*:1]
Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccccn1 O=C([O-])[*:1] Cn1ncc(c1C(=O)Nc1ccccn1)[*:1]
Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccccn1 c1ccc(nc1)[*:1] Cn1ncc(C(=O)[O-])c1C(=O)N[*:1]
O=C(NC[C@H](O)c1ccco1)c1ccnc(Cl)c1 c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])c1ccnc(Cl)c1
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@H](C#N)c2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)[C@@H](C)SCC(=O)N[C@H](C#N)[*:1]
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@H](C#N)c2cccc(Cl)c2)no1 Cc1cc(no1)[*:1] C[C@@H](SCC(=O)N[C@H](C#N)c1cccc(Cl)c1)C(=O)N[*:1]
CC[C@H]1C(=O)N[C@](C)(CC)C(=O)N1CC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] CC[C@H]1C(=O)N[C@](C)(CC)C(=O)N1CC(C)(C)[*:1]
CC[C@H]1C(=O)N[C@](C)(CC)C(=O)N1CC(C)(C)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] CC[C@H]1C(=O)N[C@](C)(CC)C(=O)N1C[*:1]
COc1cc(NC(=O)N(C)Cc2ccncc2)c(OC)cc1Cl c1cc(ccn1)C[*:1] COc1cc(NC(=O)N(C)[*:1])c(cc1Cl)OC
COc1cc(NC(=O)N(C)Cc2ccncc2)c(OC)cc1Cl c1cc(ccn1)[*:1] COc1cc(NC(=O)N(C)C[*:1])c(cc1Cl)OC
C[C@H](Cc1nnc(SCC(=O)c2ccc(F)cc2)o1)c1ccccc1 Fc1ccc(cc1)[*:1] C[C@H](Cc1nnc(o1)SCC(=O)[*:1])c1ccccc1
C[C@H](Cc1nnc(SCC(=O)c2ccc(F)cc2)o1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CSc1nnc(C[*:1])o1)c1ccc(F)cc1
C[C@H](Cc1nnc(SCC(=O)c2ccc(F)cc2)o1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cc1nnc(o1)SCC(=O)c1ccc(F)cc1)[*:1]
Cc1cccc([C@H](C)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 Cc1cccc(c1)[*:1] C[C@H](C(=O)N(C)CCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
Cc1cccc([C@H](C)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 Cc1cccc(c1)[C@H](C)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)[*:1]
CC(C)(C)OC(=O)NNC(=O)c1ccc(SC(F)F)cc1 FC(F)[*:1] CC(C)(C)OC(=O)NNC(=O)c1ccc(cc1)S[*:1]
CC(C)(C)OC(=O)NNC(=O)c1ccc(SC(F)F)cc1 FC(F)S[*:1] CC(C)(C)OC(=O)NNC(=O)c1ccc(cc1)[*:1]
CC(C)(C)OC(=O)NNC(=O)c1ccc(SC(F)F)cc1 CC(C)(C)[*:1] O=C(NNC(=O)c1ccc(cc1)SC(F)F)O[*:1]
CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC)CC2=O)cc1 CCc1ccc(cc1)[*:1] CCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
CO[C@]1(C)C[C@@H]([NH2+]CCNS(=O)(=O)c2cccnc2)C1(C)C c1cncc(c1)[*:1] CO[C@]1(C)C[C@@H]([NH2+]CCNS(=O)(=O)[*:1])C1(C)C
COc1cc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2cc1OC c1ccc(cc1)C[*:1] COc1cc2nc(NC(=O)c3ccc(cc3)[*:1])sc2cc1OC
COc1cc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2cc1OC c1ccc(cc1)[*:1] COc1cc2nc(NC(=O)c3ccc(cc3)C[*:1])sc2cc1OC
CCc1nc(CCNC(=O)Nc2ccc(NC(=O)OC)cc2)cs1 CCc1nc(cs1)C[*:1] COC(=O)Nc1ccc(cc1)NC(=O)NC[*:1]
CCc1nc(CCNC(=O)Nc2ccc(NC(=O)OC)cc2)cs1 CCc1nc(cs1)[*:1] COC(=O)Nc1ccc(cc1)NC(=O)NCC[*:1]
CCc1nc(CCNC(=O)Nc2ccc(NC(=O)OC)cc2)cs1 COC(=O)N[*:1] CCc1nc(cs1)CCNC(=O)Nc1ccc(cc1)[*:1]
C[C@@H](CCc1ccco1)NC(=O)c1ccc(C#N)cc1 c1coc(c1)[*:1] C[C@@H](CC[*:1])NC(=O)c1ccc(C#N)cc1
C[C@@H](CCc1ccco1)NC(=O)c1ccc(C#N)cc1 c1coc(c1)C[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(C#N)cc1
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc2c(c1)NC(=O)CO2 CC(C)[*:1] C[C@@H]1CC[C@H]([C@@H](C1)NC(=O)c1ccc2OCC(=O)Nc2c1)[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2[C@H](C)Cn1cccn1 c1cnn(c1)C[*:1] CCc1nn(C)c2c1[nH]c(=S)n2[C@H](C)[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2[C@H](C)Cn1cccn1 c1cnn(c1)[*:1] CCc1nn(C)c2c1[nH]c(=S)n2[C@H](C)C[*:1]
CCOc1ccc(NC(=O)[C@@H](Sc2nc(C)cc(N)n2)C(C)C)cc1 CCO[*:1] Cc1cc(N)nc(n1)S[C@H](C(=O)Nc1ccc(cc1)[*:1])C(C)C
CCOc1ccc(NC(=O)[C@@H](Sc2nc(C)cc(N)n2)C(C)C)cc1 CC(C)[*:1] CCOc1ccc(cc1)NC(=O)[C@@H](Sc1nc(C)cc(N)n1)[*:1]
CCOc1ccc(NC(=O)[C@@H](Sc2nc(C)cc(N)n2)C(C)C)cc1 Cc1cc(N)nc(n1)[*:1] CCOc1ccc(cc1)NC(=O)[C@@H](S[*:1])C(C)C
FC(F)(F)c1nc(Cl)c(Cl)c(Cl)c1Cl FC(F)(F)[*:1] Clc1nc(c(Cl)c(Cl)c1Cl)[*:1]
Nc1ccc2oc(NC[C@@H]3CCCCO3)nc2c1 C1CC[C@H](OC1)[*:1] Nc1ccc2oc(nc2c1)NC[*:1]
Cc1c(C)c(C)c(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)c(C)c1C c1cncc(c1)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
Cc1ccc(CN(C(=O)c2ccc(C)c([N-]S(C)(=O)=O)c2)C(C)C)o1 Cc1ccc(C[*:1])o1 Cc1ccc(cc1[N-]S(C)(=O)=O)C(=O)N(C(C)C)[*:1]
Cc1ccc(CN(C(=O)c2ccc(C)c([N-]S(C)(=O)=O)c2)C(C)C)o1 CC(C)[*:1] Cc1ccc(CN(C(=O)c2ccc(C)c(c2)[N-]S(C)(=O)=O)[*:1])o1
Cc1ccc(CN(C(=O)c2ccc(C)c([N-]S(C)(=O)=O)c2)C(C)C)o1 Cc1ccc(o1)[*:1] Cc1ccc(cc1[N-]S(C)(=O)=O)C(=O)N(C[*:1])C(C)C
O=[N+]([O-])c1ccccc1Oc1cccc(I)c1 O=[N+]([O-])[*:1] Ic1cccc(c1)Oc1ccccc1[*:1]
c1ccc(CC[C@@H]2CCCN2c2ccc3nnnn3n2)cc1 c1ccc(cc1)C[*:1] c1cc2nnnn2nc1N1CCC[C@H]1C[*:1]
c1ccc(CC[C@@H]2CCCN2c2ccc3nnnn3n2)cc1 c1ccc(cc1)[*:1] c1cc2nnnn2nc1N1CCC[C@H]1CC[*:1]
COCc1cc(C)nc(N)c1C#N COC[*:1] Cc1cc(c(C#N)c(N)n1)[*:1]
Cc1ccc(NC(=O)COCc2ccccc2Cl)cc1S(C)(=O)=O Clc1ccccc1C[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)CO[*:1]
Cc1ccc(NC(=O)COCc2ccccc2Cl)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)COCc1ccccc1Cl
Cc1ccc(NC(=O)COCc2ccccc2Cl)cc1S(C)(=O)=O Clc1ccccc1[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)COC[*:1]
CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 CS(=O)(=O)N[*:1] O=C(Nc1ccc(F)cc1)c1cccc(c1)[*:1]
CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CS(=O)(=O)Nc1cccc(c1)C(=O)N[*:1]
O=C1O[C@@H]([C@@H]2OC(=O)C([O-])=C2C(=O)c2ccccc2)/C(=C(/[O-])c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C1O[C@H](/C(C1=O)=C(/[O-])c1ccccc1)[C@@H]1OC(=O)C([O-])=C1C(=O)[*:1]
O=C1O[C@@H]([C@@H]2OC(=O)C([O-])=C2C(=O)c2ccccc2)/C(=C(/[O-])c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C1O[C@H](/C(C1=O)=C(/[O-])[*:1])[C@@H]1OC(=O)C([O-])=C1C(=O)c1ccccc1
O=C1O[C@@H]([C@@H]2OC(=O)C([O-])=C2C(=O)c2ccccc2)/C(=C(/[O-])c2ccccc2)C1=O O=C(c1ccccc1)[*:1] O=C1O[C@H](/C(C1=O)=C(/[O-])c1ccccc1)[C@@H]1OC(=O)C([O-])=C1[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2cc(N3CCN(c4ccccc4F)CC3)ncn2)cc1 CC(=O)N[*:1] O=C(CSc1cc(ncn1)N1CCN(CC1)c1ccccc1F)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2cc(N3CCN(c4ccccc4F)CC3)ncn2)cc1 Fc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CSc1cc(ncn1)N1CCN(CC1)[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2cc(N3CCN(c4ccccc4F)CC3)ncn2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(CSc1cc(ncn1)N1CCN(CC1)c1ccccc1F)N[*:1]
CN1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)CC1=O CC(C)(C)[*:1] CN1C[C@H](CC1=O)C(=O)NCc1ccc(cc1)[*:1]
CN1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)CC1=O CN1C[C@@H](CC1=O)[*:1] CC(C)(C)c1ccc(cc1)CNC(=O)[*:1]
CO[C@@]1(C)C[C@H](NC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)C1(C)C O=C(N1CCCC1)[*:1] CO[C@@]1(C)C[C@H](NC(=O)Nc2cccc(c2C)[*:1])C1(C)C
O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H]1CCOC1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])NC[C@@H]1CCOC1
O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H]1CCOC1 C1C[C@H](CO1)C[*:1] O=C(Cc1csc(n1)-c1ccccc1)N[*:1]
COc1cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc(Cl)c1OC O=[N+]([O-])[*:1] COc1cc(cc(Cl)c1OC)C(=O)Nc1cc(c(F)cc1F)[*:1]
CCc1c2c(O)n(-c3ccc(F)cc3)nc2cc([O-])[n+]1CCCN1CCOCC1 Fc1ccc(cc1)[*:1] CCc1c2c(O)n(nc2cc([O-])[n+]1CCCN1CCOCC1)[*:1]
CCc1c2c(O)n(-c3ccc(F)cc3)nc2cc([O-])[n+]1CCCN1CCOCC1 C1CN(CCO1)[*:1] CCc1c2c(O)n(nc2cc([O-])[n+]1CCC[*:1])-c1ccc(F)cc1
CCc1c2c(O)n(-c3ccc(F)cc3)nc2cc([O-])[n+]1CCCN1CCOCC1 C1CN(CCO1)C[*:1] CCc1c2c(O)n(nc2cc([O-])[n+]1CC[*:1])-c1ccc(F)cc1
CCc1c2c(O)n(-c3ccc(F)cc3)nc2cc([O-])[n+]1CCCN1CCOCC1 C1CN(CCO1)CC[*:1] CCc1c2c(O)n(nc2cc([O-])[n+]1C[*:1])-c1ccc(F)cc1
CCc1c2c(O)n(-c3ccc(F)cc3)nc2cc([O-])[n+]1CCCN1CCOCC1 C(CN1CCOCC1)C[*:1] CCc1c2c(O)n(nc2cc([O-])[n+]1[*:1])-c1ccc(F)cc1
c1csc(Cn2cccc2CN2CCC[C@@H](CN3CCOCC3)C2)c1 c1csc(c1)[*:1] c1cc(CN2CCC[C@@H](CN3CCOCC3)C2)n(c1)C[*:1]
c1csc(Cn2cccc2CN2CCC[C@@H](CN3CCOCC3)C2)c1 c1csc(c1)C[*:1] c1cc(CN2CCC[C@@H](CN3CCOCC3)C2)n(c1)[*:1]
c1csc(Cn2cccc2CN2CCC[C@@H](CN3CCOCC3)C2)c1 C1CN(CCO1)[*:1] c1csc(c1)Cn1cccc1CN1CCC[C@H](C1)C[*:1]
c1csc(Cn2cccc2CN2CCC[C@@H](CN3CCOCC3)C2)c1 C1CN(CCO1)C[*:1] c1csc(c1)Cn1cccc1CN1CCC[C@@H](C1)[*:1]
C[C@H](CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 c1ccc(cc1)C[*:1] C[C@H](CNC(=O)c1cnn(c1)[*:1])c1ccc(F)cc1
C[C@H](CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1cnn(c1)C[*:1])c1ccc(F)cc1
C[C@H](CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1cnn(c1)Cc1ccccc1)[*:1]
Cc1ccc(C)c(OCC(=O)NCc2ccccn2)c1 c1ccc(nc1)[*:1] Cc1ccc(C)c(c1)OCC(=O)NC[*:1]
CC[C@H](C)N(C)C(=O)N[C@@H](C)c1nnc2ccccn12 CC[C@H](C)[*:1] C[C@H](NC(=O)N(C)[*:1])c1nnc2ccccn12
CCc1ncc(C[NH+](CC(N)=O)CC(C)C)s1 NC(=O)C[*:1] CCc1ncc(C[NH+](CC(C)C)[*:1])s1
CCc1ncc(C[NH+](CC(N)=O)CC(C)C)s1 CC(C)C[*:1] CCc1ncc(C[NH+](CC(N)=O)[*:1])s1
CCc1ncc(C[NH+](CC(N)=O)CC(C)C)s1 CC(C)[*:1] CCc1ncc(C[NH+](CC(N)=O)C[*:1])s1
CCc1ncc(C[NH+](CC(N)=O)CC(C)C)s1 NC(=O)[*:1] CCc1ncc(C[NH+](CC(C)C)C[*:1])s1
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N[*:1]
Cc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NCC(=O)Nc1cccc(C#N)c1
Cc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C N#Cc1cccc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NCC(=O)N[*:1]
CCn1cc(C(=O)Nc2ccccc2SCC(N)=O)cn1 NC(=O)C[*:1] CCn1cc(cn1)C(=O)Nc1ccccc1S[*:1]
CCn1cc(C(=O)Nc2ccccc2SCC(N)=O)cn1 NC(=O)CS[*:1] CCn1cc(cn1)C(=O)Nc1ccccc1[*:1]
CCn1cc(C(=O)Nc2ccccc2SCC(N)=O)cn1 CCn1cc(cn1)[*:1] NC(=O)CSc1ccccc1NC(=O)[*:1]
CCn1cc(C(=O)Nc2ccccc2SCC(N)=O)cn1 NC(=O)[*:1] CCn1cc(cn1)C(=O)Nc1ccccc1SC[*:1]
C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 C1CC[C@H](OC1)[*:1] C[C@@H](OC[*:1])C(=O)N1CCC[C@H](C1)[NH+]1CCCC1
C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 C1CC[C@@H](C[*:1])OC1 C[C@@H](O[*:1])C(=O)N1CCC[C@H](C1)[NH+]1CCCC1
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F Fc1cccc(F)c1[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[C@@H]1C[C@H]1[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F COC(=O)[*:1] O=C(N[C@@H]1CCCCC[C@H]1[*:1])[C@@H]1C[C@@H]1c1c(F)cccc1F
CC(C)[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 Clc1ccc(c(Cl)c1)[*:1] CC(C)[C@H](CNC(=O)C[*:1])N1CC[NH+](C)CC1
CC(C)[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)Cc1ccc(Cl)cc1Cl)[*:1]
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1C[C@H](C)c2ccccc21 Fc1cccc(c1)[*:1] Cc1nnnn1[C@H](C[*:1])C(=O)N1C[C@H](C)c2ccccc21
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1C[C@H](C)c2ccccc21 Fc1cccc(c1)C[*:1] Cc1nnnn1[C@H](C(=O)N1C[C@H](C)c2ccccc21)[*:1]
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1C[C@H](C)c2ccccc21 Cc1nnnn1[*:1] C[C@H]1CN(C(=O)[C@@H](Cc2cccc(F)c2)[*:1])c2ccccc21
CC(C)CC[NH2+][C@@H](C)C1(C)CC1 CC1(CC1)[*:1] CC(C)CC[NH2+][C@@H](C)[*:1]
CC(C)CC[NH2+][C@@H](C)C1(C)CC1 CC(C)[*:1] C[C@H]([NH2+]CC[*:1])C1(C)CC1
CC(C)CC[NH2+][C@@H](C)C1(C)CC1 CC(C)C[*:1] C[C@H]([NH2+]C[*:1])C1(C)CC1
Cc1cc2cc(CN(C(=O)c3ccco3)C3CCCC3)c(=O)[nH]c2cc1C C1CCC(C1)[*:1] Cc1cc2cc(CN(C(=O)c3ccco3)[*:1])c(=O)[nH]c2cc1C
Cc1cc2cc(CN(C(=O)c3ccco3)C3CCCC3)c(=O)[nH]c2cc1C c1coc(c1)[*:1] Cc1cc2cc(CN(C(=O)[*:1])C3CCCC3)c(=O)[nH]c2cc1C
CCOc1ccc(N[C@@H]2CCS(=O)(=O)C2)cn1 CCO[*:1] O=S1(=O)CC[C@H](C1)Nc1ccc(nc1)[*:1]
O=C(Nc1cccnc1N1CCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 C1CCN(C1)[*:1] O=C(Nc1cccnc1[*:1])c1cccc(c1)NC(=O)[C@H]1CCCO1
COc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc(OC)c1OC(C)=O Clc1cccc(c1)[*:1] COc1cc(/C=C2/N=C(OC2=O)[*:1])cc(OC)c1OC(C)=O
COc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc(OC)c1OC(C)=O CC(=O)O[*:1] COc1cc(/C=C2/N=C(OC2=O)c2cccc(Cl)c2)cc(OC)c1[*:1]
O[C@@H](COc1cccc2ccccc12)C[NH+]1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O[C@@H](COc1cccc2ccccc12)C[NH+]1CCN(CC1)[*:1]
CCC[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC[C@H](C)OC(=O)c1cccc(c1)[*:1]
CCC[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1 CCC[C@H](C)[*:1] O=C(O[*:1])c1cccc(c1)[N+](=O)[O-]
CCC[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1 CCC[*:1] C[C@H](OC(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
CC[C@@H](C)NC(=O)NCc1ccc(C[NH+](C)C)cc1 CC[C@@H](C)[*:1] C[NH+](C)Cc1ccc(cc1)CNC(=O)N[*:1]
COc1ccc(CCC/C([O-])=N/S(=O)(=O)c2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1)CCC/C([O-])=N/S(=O)(=O)[*:1]
COc1ccc(CCC/C([O-])=N/S(=O)(=O)c2ccc(F)cc2F)cc1 COc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])CCC[*:1])c1ccc(F)cc1F
Cc1cc(NC(=O)CN(C)C(=O)[C@@H](C)Sc2ccc(Br)cc2)no1 Cc1cc(no1)[*:1] C[C@@H](Sc1ccc(Br)cc1)C(=O)N(C)CC(=O)N[*:1]
Cc1cc(NC(=O)CN(C)C(=O)[C@@H](C)Sc2ccc(Br)cc2)no1 Brc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CN(C)C(=O)[C@@H](C)S[*:1]
Cc1cc(NC(=O)CN(C)C(=O)[C@@H](C)Sc2ccc(Br)cc2)no1 Brc1ccc(cc1)S[*:1] Cc1cc(no1)NC(=O)CN(C)C(=O)[C@@H](C)[*:1]
COc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)[C@@H]([NH2+][*:1])c1ccccc1
COc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]([NH2+]Cc1ccccc1)c1ccccc1
COc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H]([NH2+]Cc1ccccc1)[*:1]
COc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H]([NH2+]C[*:1])c1ccccc1
NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 NC(=O)[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C1)[*:1]
O=C(/C=C/c1ccccc1Cl)Nc1nonc1NC(=O)/C=C/c1ccccc1Cl Clc1ccccc1C=C[*:1] O=C(/C=C/c1ccccc1Cl)Nc1nonc1NC(=O)[*:1]
O=C(/C=C/c1ccccc1Cl)Nc1nonc1NC(=O)/C=C/c1ccccc1Cl Clc1ccccc1[*:1] O=C(/C=C/c1ccccc1Cl)Nc1nonc1NC(=O)C=C[*:1]
CCOc1ccc(N2C(=O)S/C(=C\c3cn(C)c4ccccc34)C2=O)cc1 CCOc1ccc(cc1)[*:1] Cn1cc(/C=C2\SC(=O)N(C2=O)[*:1])c2ccccc21
CCOc1ccc(N2C(=O)S/C(=C\c3cn(C)c4ccccc34)C2=O)cc1 CCO[*:1] Cn1cc(/C=C2\SC(=O)N(C2=O)c2ccc(cc2)[*:1])c2ccccc21
Cc1ccc(CSCC(=O)N(C)C2CCS(=O)CC2)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)CSC[*:1])C1CCS(=O)CC1
C[C@H]1CC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 O=S(=O)(NC1CC1)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)c1ccc(cc1)[*:1]
C[C@H]1CC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 C1CC1[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
C#CCNC(=O)COc1c(C=O)cc(Cl)c2ccccc12 C#CCNC(=O)[*:1] O=Cc1cc(Cl)c2ccccc2c1OC[*:1]
C#CCNC(=O)COc1c(C=O)cc(Cl)c2ccccc12 C#CC[*:1] O=Cc1cc(Cl)c2ccccc2c1OCC(=O)N[*:1]
C#CCNC(=O)COc1c(C=O)cc(Cl)c2ccccc12 C#CCNC(=O)C[*:1] O=Cc1cc(Cl)c2ccccc2c1O[*:1]
O=C(NCCc1cccs1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 c1csc(c1)CC[*:1] O=C(N[*:1])N(Cc1cccc(F)c1)C[C@@H]1CCCO1
O=C(NCCc1cccs1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 Fc1cccc(c1)C[*:1] O=C(NCCc1cccs1)N(C[C@@H]1CCCO1)[*:1]
O=C(NCCc1cccs1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(NCCc1cccs1)N(Cc1cccc(F)c1)[*:1]
O=C(NCCc1cccs1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 c1csc(c1)C[*:1] O=C(NC[*:1])N(Cc1cccc(F)c1)C[C@@H]1CCCO1
O=C(NCCc1cccs1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 c1csc(c1)[*:1] O=C(NCC[*:1])N(Cc1cccc(F)c1)C[C@@H]1CCCO1
O=C(NCCc1cccs1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 Fc1cccc(c1)[*:1] O=C(NCCc1cccs1)N(C[C@@H]1CCCO1)C[*:1]
CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)no1 c1cncc(c1)[*:1] CCc1cc(no1)C(=O)N1CCC2(CCC(=O)N(CC[*:1])C2)CC1
CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)no1 c1cncc(c1)CC[*:1] CCc1cc(no1)C(=O)N1CCC2(CCC(=O)N(C2)[*:1])CC1
CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)no1 CCc1cc(no1)[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1CCc1cccnc1
CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)no1 c1cncc(c1)C[*:1] CCc1cc(no1)C(=O)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
COC(=O)C1CCN(C(=O)c2cc3ccccc3cc2OC)CC1 COC(=O)[*:1] COc1cc2ccccc2cc1C(=O)N1CCC(CC1)[*:1]
Cc1ccc(S(=O)(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)N[C@H](C)Cc2ccc(C)cc2C)c1 Cc1ccc(c(C)c1)[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)N[C@H](C)C[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)N[C@H](C)Cc2ccc(C)cc2C)c1 Cc1ccc(C[*:1])c(C)c1 CCNC(=O)c1ccc(C)c(c1)NC(=O)N[C@H](C)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)N[C@H](C)Cc2ccc(C)cc2C)c1 CCNC(=O)[*:1] Cc1ccc(C[C@@H](C)NC(=O)Nc2cc(ccc2C)[*:1])c(C)c1
C[C@H]1C[C@@H]1NC(=O)NCc1ccc(OCc2ccccn2)cc1 c1ccc(nc1)[*:1] C[C@H]1C[C@@H]1NC(=O)NCc1ccc(cc1)OC[*:1]
C[C@H]1C[C@@H]1NC(=O)NCc1ccc(OCc2ccccn2)cc1 c1ccc(C[*:1])nc1 C[C@H]1C[C@@H]1NC(=O)NCc1ccc(cc1)O[*:1]
CN(CC(=O)N[C@@H](C#N)C(C)(C)C)C(=O)c1ccccc1 CC(C)(C)[*:1] CN(CC(=O)N[C@@H](C#N)[*:1])C(=O)c1ccccc1
CN(CC(=O)N[C@@H](C#N)C(C)(C)C)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)N[C@@H](C#N)C(C)(C)C)C(=O)[*:1]
C[C@H](COc1cccc(F)c1)OC(=O)c1cccc(CC#N)c1 N#CC[*:1] C[C@H](COc1cccc(F)c1)OC(=O)c1cccc(c1)[*:1]
C[C@H](COc1cccc(F)c1)OC(=O)c1cccc(CC#N)c1 Fc1cccc(c1)[*:1] C[C@H](CO[*:1])OC(=O)c1cccc(c1)CC#N
CC(C)CC(=O)N1CCC[C@H]1C[C@H](C)O C[C@H](O)C[*:1] CC(C)CC(=O)N1CCC[C@@H]1[*:1]
CC(C)CC(=O)N1CCC[C@H]1C[C@H](C)O CC(C)[*:1] C[C@H](O)C[C@@H]1CCCN1C(=O)C[*:1]
CC(C)CC(=O)N1CCC[C@H]1C[C@H](C)O C[C@H](O)[*:1] CC(C)CC(=O)N1CCC[C@H]1C[*:1]
CC(C)CC(=O)N1CCC[C@H]1C[C@H](C)O CC(C)C[*:1] C[C@H](O)C[C@@H]1CCCN1C(=O)[*:1]
CCCC(=O)N1N=C(c2cccc(NS(=O)(=O)CC)c2)C[C@H]1c1ccco1 c1coc(c1)[*:1] CCCC(=O)N1N=C(C[C@@H]1[*:1])c1cccc(c1)NS(=O)(=O)CC
CCCC(=O)N1N=C(c2cccc(NS(=O)(=O)CC)c2)C[C@H]1c1ccco1 CCS(=O)(=O)N[*:1] CCCC(=O)N1N=C(C[C@H]1c1ccco1)c1cccc(c1)[*:1]
CCCC(=O)N1N=C(c2cccc(NS(=O)(=O)CC)c2)C[C@H]1c1ccco1 CCC[*:1] CCS(=O)(=O)Nc1cccc(c1)C1C[C@@H](c2ccco2)N(N=1)C(=O)[*:1]
CCOc1c(Br)cc(CNn2nnnc2N)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])CNn1nnnc1N
O=C(CN1CCN(C(=O)CCCc2cc(F)ccc2F)CC1)NC1CC1 Fc1ccc(F)c(c1)[*:1] O=C(CN1CCN(CC1)C(=O)CCC[*:1])NC1CC1
O=C(CN1CCN(C(=O)CCCc2cc(F)ccc2F)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)C(=O)CCCc1cc(F)ccc1F)N[*:1]
O=C(CN1CCN(C(=O)CCCc2cc(F)ccc2F)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(CCCc1cc(F)ccc1F)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)CCCc2cc(F)ccc2F)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(CCCc1cc(F)ccc1F)N1CCN(CC1)[*:1]
Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](O)C2)no1 Cc1cc(no1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)C(=O)N[*:1]
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)Cc2ccon2)cc1Cl c1cc(C[*:1])no1 C[C@H]1CCCCN1C(=O)c1ccc(cc1Cl)NC(=O)[*:1]
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)Cc2ccon2)cc1Cl c1cc(no1)[*:1] C[C@H]1CCCCN1C(=O)c1ccc(cc1Cl)NC(=O)C[*:1]
COc1cc(CN(C)CCc2ccncc2)ccc1O c1cc(ccn1)[*:1] COc1cc(ccc1O)CN(C)CC[*:1]
COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccccc2OC)ccn1 COC(=O)[*:1] COc1ccccc1[C@H]1CCCN1C(=O)c1ccnc(c1)[*:1]
COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccccc2OC)ccn1 COc1ccccc1[*:1] COC(=O)c1cc(ccn1)C(=O)N1CCC[C@H]1[*:1]
Cc1cccc(NCc2cc(F)ccc2[N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cccc(NCc2cc(F)ccc2[*:1])c1C
CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(-c3ccco3)n1C1CCCCC1)OCO2 CC(=O)[*:1] O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)Nc1cc2OCOc2cc1[*:1]
CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(-c3ccco3)n1C1CCCCC1)OCO2 c1coc(c1)[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)CSc1nnc(n1C1CCCCC1)[*:1]
CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(-c3ccco3)n1C1CCCCC1)OCO2 C1CCC(CC1)[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)CSc1nnc(-c2ccco2)n1[*:1]
O=C([O-])CCN(C(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2)c1ccccc1 O=C([O-])CC[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)N(c1ccccc1)[*:1]
O=C([O-])CCN(C(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CCN(C(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2)[*:1]
O=C([O-])CCN(C(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2)c1ccccc1 O=C([O-])[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)N(CC[*:1])c1ccccc1
O=C([O-])CCN(C(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2)c1ccccc1 O=C([O-])C[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)N(C[*:1])c1ccccc1
O=C([O-])CCN(C(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2)c1ccccc1 O=C([O-])[*:1] O=C([O-])CCN(C(=O)[C@H]1[C@@H]([C@@H]2C=C[C@H]1C2)[*:1])c1ccccc1
COc1cccc([C@H](C)CC(=O)Nc2ccc(Cl)cc2NC(C)=O)c1 COc1cccc(c1)[*:1] CC(=O)Nc1cc(Cl)ccc1NC(=O)C[C@@H](C)[*:1]
COc1cccc([C@H](C)CC(=O)Nc2ccc(Cl)cc2NC(C)=O)c1 CC(=O)N[*:1] COc1cccc(c1)[C@H](C)CC(=O)Nc1ccc(Cl)cc1[*:1]
Cc1cc(CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)on1 Cc1cc(C[*:1])on1 Cc1ccccc1[C@]1(C)NC(=O)N(C1=O)[*:1]
Cc1cc(CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)on1 Cc1cc(on1)[*:1] Cc1ccccc1[C@]1(C)NC(=O)N(C[*:1])C1=O
Cc1cc(CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)on1 Cc1ccccc1[*:1] Cc1cc(CN2C(=O)N[C@@](C)(C2=O)[*:1])on1
O=C(CN1CSCC1=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)CO[*:1] O=C(CN1CSCC1=O)Nc1cc(Cl)ccc1[*:1]
O=C(CN1CSCC1=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(CN1CSCC1=O)Nc1cc(Cl)ccc1O[*:1]
O=C(CN1CSCC1=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(CN1CSCC1=O)Nc1cc(Cl)ccc1OC[*:1]
O=C(CN1CSCC1=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 O=C1CSCN1C[*:1] O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)[*:1]
O=C(CN1CSCC1=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 O=C1CSCN1[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1OC[C@H]1CCCO1
C[C@H](NC(=O)NCc1cccnc1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H](NC(=O)NCc1cccnc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NCc1cccnc1)c1ccc(OC(F)F)cc1 c1cncc(c1)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(cc1)OC(F)F
C[C@H](NC(=O)NCc1cccnc1)c1ccc(OC(F)F)cc1 c1cncc(c1)C[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)OC(F)F
C[C@H](NC(=O)NCc1cccnc1)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H](NC(=O)NCc1cccnc1)c1ccc(cc1)O[*:1]
Cn1cc(N2CCC[C@H](SCc3nccn3C(F)F)C2=O)cn1 Cn1cc(cn1)[*:1] O=C1[C@H](CCCN1[*:1])SCc1nccn1C(F)F
Cn1cc(N2CCC[C@H](SCc3nccn3C(F)F)C2=O)cn1 FC(F)[*:1] Cn1cc(cn1)N1CCC[C@H](SCc2nccn2[*:1])C1=O
O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cc2c(F)cccc2[nH]1 c1ccc(cc1)[*:1] O=C(Nc1cccn(C[*:1])c1=O)c1cc2c(F)cccc2[nH]1
O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cc2c(F)cccc2[nH]1 c1ccc(cc1)C[*:1] O=C(Nc1cccn(c1=O)[*:1])c1cc2c(F)cccc2[nH]1
O=C(CSc1ccnc(C(=O)[O-])c1)NCC(F)(F)F O=C([O-])[*:1] O=C(CSc1ccnc(c1)[*:1])NCC(F)(F)F
O=C(CSc1ccnc(C(=O)[O-])c1)NCC(F)(F)F FC(F)(F)[*:1] O=C(CSc1ccnc(c1)C(=O)[O-])NC[*:1]
O=C(CSc1ccnc(C(=O)[O-])c1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CSc1ccnc(c1)C(=O)[O-])N[*:1]
O=C(N[C@H](CO)c1ccco1)C1(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(N[C@H](CO)c1ccco1)C1(CC1)[*:1]
O=C(N[C@H](CO)c1ccco1)C1(c2ccccc2F)CC1 c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])C1(CC1)c1ccccc1F
CCOc1ccc([C@@H](c2nnnn2C(C)(C)CC)N2CC[NH+](C)CC2)cc1 CCO[*:1] CCC(C)(C)n1nnnc1[C@H](c1ccc(cc1)[*:1])N1CC[NH+](C)CC1
CCOc1ccc([C@@H](c2nnnn2C(C)(C)CC)N2CC[NH+](C)CC2)cc1 CCC(C)(C)[*:1] CCOc1ccc(cc1)[C@@H](c1nnnn1[*:1])N1CC[NH+](C)CC1
CCOc1ccc([C@@H](c2nnnn2C(C)(C)CC)N2CC[NH+](C)CC2)cc1 CCOc1ccc(cc1)[*:1] CCC(C)(C)n1nnnc1[C@@H](N1CC[NH+](C)CC1)[*:1]
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)CCC(=O)N2 c1ccc(cc1)[*:1] O=C(CC(c1ccccc1)[*:1])Nc1ccc2NC(=O)CCc2c1
O=C(/C=C/c1ccco1)N1CCC(c2nc3ccccc3[nH]2)CC1 C(=C[*:1])c1ccco1 O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)[*:1]
O=C(/C=C/c1ccco1)N1CCC(c2nc3ccccc3[nH]2)CC1 c1coc(c1)[*:1] O=C(C=C[*:1])N1CCC(CC1)c1nc2ccccc2[nH]1
COCCn1cc(C[NH+](C)Cc2[nH]nc3c2CCCC3)c2ccccc21 COCC[*:1] C[NH+](Cc1[nH]nc2CCCCc21)Cc1cn(c2ccccc12)[*:1]
COCCn1cc(C[NH+](C)Cc2[nH]nc3c2CCCC3)c2ccccc21 COC[*:1] C[NH+](Cc1[nH]nc2CCCCc21)Cc1cn(C[*:1])c2ccccc12
COC[C@@H](O)COc1ccc(C(=O)[O-])nc1 O=C([O-])[*:1] COC[C@@H](O)COc1ccc(nc1)[*:1]
COC[C@@H](O)COc1ccc(C(=O)[O-])nc1 COC[*:1] O=C([O-])c1ccc(cn1)OC[C@H](O)[*:1]
COC[C@@H](O)COc1ccc(C(=O)[O-])nc1 COC[C@@H](O)[*:1] O=C([O-])c1ccc(cn1)OC[*:1]
O=C(COc1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
O=C(COc1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
O=C(COc1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
O=C(COc1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 Clc1ccc(cc1)OC[*:1] O=C(N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)[*:1]
CC(C)[C@H](C)NC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 CC(C)[C@H](C)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(F)c(Cl)c1
CC(C)[C@H](C)NC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 CC(C)[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(F)c(Cl)c1)[*:1]
CC(C)Oc1cncc(C(=O)OCCC(F)(F)F)c1 FC(F)(F)CC[*:1] CC(C)Oc1cncc(c1)C(=O)O[*:1]
CC(C)Oc1cncc(C(=O)OCCC(F)(F)F)c1 CC(C)[*:1] O=C(OCCC(F)(F)F)c1cncc(c1)O[*:1]
CC(C)Oc1cncc(C(=O)OCCC(F)(F)F)c1 FC(F)(F)C[*:1] CC(C)Oc1cncc(c1)C(=O)OC[*:1]
CC(C)Oc1cncc(C(=O)OCCC(F)(F)F)c1 CC(C)O[*:1] O=C(OCCC(F)(F)F)c1cncc(c1)[*:1]
CC(C)Oc1cncc(C(=O)OCCC(F)(F)F)c1 FC(F)(F)[*:1] CC(C)Oc1cncc(c1)C(=O)OCC[*:1]
Cc1ccccc1OCCC(=O)N1CCO[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 Cc1ccccc1OC[*:1] Nc1cc(cc[nH+]1)-c1cncnc1[C@H]1CN(CCO1)C(=O)C[*:1]
Cc1ccccc1OCCC(=O)N1CCO[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 Cc1ccccc1O[*:1] Nc1cc(cc[nH+]1)-c1cncnc1[C@H]1CN(CCO1)C(=O)CC[*:1]
Cc1ccccc1OCCC(=O)N1CCO[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 Cc1ccccc1OCC[*:1] Nc1cc(cc[nH+]1)-c1cncnc1[C@H]1CN(CCO1)C(=O)[*:1]
Cc1ccccc1OCCC(=O)N1CCO[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 Cc1ccccc1[*:1] Nc1cc(cc[nH+]1)-c1cncnc1[C@H]1CN(CCO1)C(=O)CCO[*:1]
CCC1(CC)[C@@H](OC)C[C@H]1[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 CC(=O)N[*:1] CCC1(CC)[C@H](C[C@H]1[NH2+][C@@H](C)c1cccc(c1)[*:1])OC
CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)Cc2cccc(C)c2)C1 Cc1cccc(c1)C[*:1] CNC(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1cccc(c1)-c1cccnc1
CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)Cc2cccc(C)c2)C1 Cc1cccc(c1)[*:1] CNC(=O)[C@]1(CCCN(C1)C(=O)C[*:1])Cc1cccc(c1)-c1cccnc1
CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)Cc2cccc(C)c2)C1 CNC(=O)[*:1] Cc1cccc(c1)CC(=O)N1CCC[C@](Cc2cccc(c2)-c2cccnc2)(C1)[*:1]
CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)Cc2cccc(C)c2)C1 c1cncc(c1)[*:1] CNC(=O)[C@]1(CCCN(C1)C(=O)Cc1cccc(C)c1)Cc1cccc(c1)[*:1]
CCOCCC(=O)Nc1c(C)cccc1OC(F)F FC(F)O[*:1] CCOCCC(=O)Nc1c(C)cccc1[*:1]
CCOCCC(=O)Nc1c(C)cccc1OC(F)F CCO[*:1] Cc1cccc(OC(F)F)c1NC(=O)CC[*:1]
CCOCCC(=O)Nc1c(C)cccc1OC(F)F CCOCC[*:1] Cc1cccc(OC(F)F)c1NC(=O)[*:1]
CCOCCC(=O)Nc1c(C)cccc1OC(F)F CCOC[*:1] Cc1cccc(OC(F)F)c1NC(=O)C[*:1]
CCOCCC(=O)Nc1c(C)cccc1OC(F)F FC(F)[*:1] CCOCCC(=O)Nc1c(C)cccc1O[*:1]
Cc1nc(Nc2nncs2)cc([C@H]2CCCN2C(=O)C[NH+](C)C)n1 c1nnc(s1)[*:1] Cc1nc(cc(n1)[C@H]1CCCN1C(=O)C[NH+](C)C)N[*:1]
Cc1nc(Nc2nncs2)cc([C@H]2CCCN2C(=O)C[NH+](C)C)n1 c1nnc(N[*:1])s1 Cc1nc(cc(n1)[*:1])[C@H]1CCCN1C(=O)C[NH+](C)C
CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\S(=O)(=O)c1ccc(C)cc1 COc1ccc(cc1OC)[*:1] CCN1C(=O)C(=C[*:1])S/C1=N\S(=O)(=O)c1ccc(C)cc1
CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN1C(=O)/C(=C\c2ccc(OC)c(c2)OC)S/C1=N\S(=O)(=O)[*:1]
Cc1nnc2ccc(C(=O)N3CCC(Nc4cccnn4)CC3)cn12 c1cnnc(c1)[*:1] Cc1nnc2ccc(cn12)C(=O)N1CCC(CC1)N[*:1]
Cc1nnc2ccc(C(=O)N3CCC(Nc4cccnn4)CC3)cn12 c1cnnc(c1)N[*:1] Cc1nnc2ccc(cn12)C(=O)N1CCC(CC1)[*:1]
O=C(COC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc2ncccc12 c1cc(c2cccnc2c1)[*:1] O=C(COC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)N[*:1]
COc1ccc(-c2noc(CNC(=O)Nc3ccccc3)n2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1noc(CNC(=O)N[*:1])n1
Cc1cc(=O)c(C(=O)N2CCO[C@H](C)C2)nn1-c1ccccc1F Fc1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)N1CCO[C@H](C)C1
CCC[C@@](C)(CO)NC(=O)Nc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CCC[C@@](C)(CO)NC(=O)Nc1ccc(cc1)[*:1]
CCC[C@@](C)(CO)NC(=O)Nc1ccc([S@](C)=O)cc1 CCC[*:1] C[S@](=O)c1ccc(cc1)NC(=O)N[C@@](C)(CO)[*:1]
C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC[C@@H]1OC[*:1]
C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC[C@@H]1O[*:1]
COc1cccc(NC(=O)N(Cc2ccco2)[C@H](C)c2ccco2)c1 c1coc(c1)[*:1] COc1cccc(c1)NC(=O)N(C[*:1])[C@H](C)c1ccco1
COc1cccc(NC(=O)N(Cc2ccco2)[C@H](C)c2ccco2)c1 c1coc(c1)C[*:1] COc1cccc(c1)NC(=O)N([C@H](C)c1ccco1)[*:1]
COc1cccc(NC(=O)N(Cc2ccco2)[C@H](C)c2ccco2)c1 c1coc(c1)[*:1] COc1cccc(c1)NC(=O)N(Cc1ccco1)[C@H](C)[*:1]
COc1cccc(NC(=O)N(Cc2ccco2)[C@H](C)c2ccco2)c1 COc1cccc(c1)[*:1] C[C@H](c1ccco1)N(Cc1ccco1)C(=O)N[*:1]
CCc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2F)cc1 NS(=O)(=O)[*:1] CCc1ccc(cc1)S(=O)(=O)[N-]c1ccc(cc1F)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](c1cccs1)C(C)C c1csc(c1)[*:1] COc1ccc(cc1NC(=O)N[C@H](C(C)C)[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](c1cccs1)C(C)C CC(C)[*:1] COc1ccc(cc1NC(=O)N[C@H](c1cccs1)[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](c1cccs1)C(C)C CC(=O)N[*:1] COc1ccc(cc1NC(=O)N[C@H](c1cccs1)C(C)C)[*:1]
CSc1nc(C)c(C(=O)Nc2ccccc2)c(C)c1C#N c1ccc(cc1)[*:1] CSc1nc(C)c(C(=O)N[*:1])c(C)c1C#N
CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] CCN(Cc1ccccc1)C(=O)C1CC[NH+](CC1)[*:1]
CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 c1ccc(cc1)C[*:1] CCN(C(=O)C1CC[NH+](CC1)Cc1cccc(Cl)c1)[*:1]
CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)C1CC[NH+](CC1)Cc1cccc(Cl)c1
CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CCN(Cc1ccccc1)C(=O)C1CC[NH+](CC1)C[*:1]
C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 N#Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)-n1cc[nH]c1=S
C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 S=c1[nH]ccn1[*:1] C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc(c1)[*:1]
O=C(NNc1ccc(-n2cccn2)nn1)N[C@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(NNc1ccc(nn1)-n1cccn1)N[C@H](c1ccco1)[*:1]
O=C(NNc1ccc(-n2cccn2)nn1)N[C@H](c1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(NNc1ccc(nn1)-n1cccn1)N[C@H](c1ccccc1)[*:1]
O=C(NNc1ccc(-n2cccn2)nn1)N[C@H](c1ccccc1)c1ccco1 c1cnn(c1)[*:1] O=C(NNc1ccc(nn1)[*:1])N[C@H](c1ccccc1)c1ccco1
O=C1C[C@@H](c2ccccc2)CN1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](CN1C(=O)c1ccccc1)[*:1]
O=C1C[C@@H](c2ccccc2)CN1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1C(=O)[*:1])c1ccccc1
CNC(=O)c1ccc(CNC(=O)Nc2cc(F)c(OC)c(F)c2)cc1 CNC(=O)[*:1] COc1c(F)cc(cc1F)NC(=O)NCc1ccc(cc1)[*:1]
CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 CN(C)C(=O)[*:1] Clc1ccc(cc1)-c1cc(n(n1)-c1ccccc1)[*:1]
CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 Clc1ccc(cc1)[*:1] CN(C)C(=O)c1cc(nn1-c1ccccc1)[*:1]
CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)c1cc(nn1[*:1])-c1ccc(Cl)cc1
COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] COC(=O)c1ccccc1S(=O)(=O)N1CCN(CC1)[*:1]
COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 COC(=O)[*:1] O=S(=O)(c1ccccc1[*:1])N1CCN(CC1)c1ccccc1F
Nn1c(COc2ccccc2)nnc1SCc1ccc(Br)cc1 c1ccc(cc1)O[*:1] Nn1c(C[*:1])nnc1SCc1ccc(Br)cc1
Nn1c(COc2ccccc2)nnc1SCc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Nn1c(COc2ccccc2)nnc1SC[*:1]
Nn1c(COc2ccccc2)nnc1SCc1ccc(Br)cc1 c1ccc(cc1)[*:1] Nn1c(CO[*:1])nnc1SCc1ccc(Br)cc1
C=C(C)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] C=C(C)CN1C(=O)S/C(=C/c2cccc(c2)[*:1])C1=O
C=C(C)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O C=C(C)C[*:1] O=C1S/C(=C/c2cccc(c2)[N+](=O)[O-])C(=O)N1[*:1]
C=C(C)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O C=C(C)[*:1] O=C1S/C(=C/c2cccc(c2)[N+](=O)[O-])C(=O)N1C[*:1]
C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)C1 FC(F)(F)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)O[*:1]
C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)C1 FC(F)(F)O[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCCCNC(=O)N1C[C@H](C(=O)NCC)CC[C@H]1c1ccc(F)c(C)c1 CCCC[*:1] CCNC(=O)[C@@H]1CC[C@@H](c2ccc(F)c(C)c2)N(C1)C(=O)N[*:1]
CCCCNC(=O)N1C[C@H](C(=O)NCC)CC[C@H]1c1ccc(F)c(C)c1 CCC[*:1] CCNC(=O)[C@@H]1CC[C@@H](c2ccc(F)c(C)c2)N(C1)C(=O)NC[*:1]
CCCCNC(=O)N1C[C@H](C(=O)NCC)CC[C@H]1c1ccc(F)c(C)c1 CCNC(=O)[*:1] CCCCNC(=O)N1C[C@H](CC[C@H]1c1ccc(F)c(C)c1)[*:1]
CCCCNC(=O)N1C[C@H](C(=O)NCC)CC[C@H]1c1ccc(F)c(C)c1 Cc1cc(ccc1F)[*:1] CCCCNC(=O)N1C[C@@H](CC[C@@H]1[*:1])C(=O)NCC
CCOC(=O)CN1C[C@@H](C)C(=O)Nc2ccccc21 CCOC(=O)[*:1] C[C@@H]1CN(C[*:1])c2ccccc2NC1=O
CCOC(=O)CN1C[C@@H](C)C(=O)Nc2ccccc21 CCOC(=O)C[*:1] C[C@@H]1CN(c2ccccc2NC1=O)[*:1]
C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 CS(=O)(=O)[*:1] C[C@H](O)[C@@H]1CCCN(C1)C(=O)N[C@@H](C[*:1])c1ccccc1
C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](O)[C@@H]1CCCN(C1)C(=O)N[C@@H](CS(C)(=O)=O)[*:1]
C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 CS(=O)(=O)C[*:1] C[C@H](O)[C@@H]1CCCN(C1)C(=O)N[C@@H](c1ccccc1)[*:1]
C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 C[C@H](O)[*:1] CS(=O)(=O)C[C@H](NC(=O)N1CCC[C@H](C1)[*:1])c1ccccc1
CCCNC(=O)[C@H](C)n1c([C@@H](C)Cl)nc2cnccc21 CCC[*:1] C[C@@H](C(=O)N[*:1])n1c(nc2cnccc21)[C@@H](C)Cl
CCCNC(=O)[C@H](C)n1c([C@@H](C)Cl)nc2cnccc21 CCCNC(=O)[*:1] C[C@H](n1c(nc2cnccc21)[C@@H](C)Cl)[*:1]
CCCNC(=O)[C@H](C)n1c([C@@H](C)Cl)nc2cnccc21 C[C@@H](Cl)[*:1] CCCNC(=O)[C@H](C)n1c(nc2cnccc21)[*:1]
COc1ccccc1NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 COc1ccccc1[*:1] CC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)N[*:1]
COc1ccccc1NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 CC(=O)c1ccc(cc1)[*:1] COc1ccccc1NC(=O)c1ccc(cc1)O[*:1]
COc1ccccc1NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 CC(=O)[*:1] COc1ccccc1NC(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1]
CCO[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1 CCO[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCC[C@@H](C1)[*:1]
CCC[NH2+][C@H](c1cc(C)c(Br)s1)C1CC1 C1CC1[*:1] CCC[NH2+][C@H](c1cc(C)c(Br)s1)[*:1]
CCC[NH2+][C@H](c1cc(C)c(Br)s1)C1CC1 CCC[*:1] Cc1cc(sc1Br)[C@@H]([NH2+][*:1])C1CC1
C[C@@H](Cc1ccco1)NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C c1coc(c1)C[*:1] C[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[*:1]
C[C@@H](Cc1ccco1)NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C c1coc(c1)[*:1] C[C@@H](C[*:1])NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C
C[C@@H](Cc1ccco1)NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] C[C@@H](Cc1ccco1)NC(=O)N1CC[C@H]([C@H]1C)[*:1]
O=C(/C=C\c1ccccc1Cl)Nc1ccc(Cn2ccccc2=O)cc1 O=c1ccccn1[*:1] O=C(/C=C\c1ccccc1Cl)Nc1ccc(cc1)C[*:1]
O=C(/C=C\c1ccccc1Cl)Nc1ccc(Cn2ccccc2=O)cc1 Clc1ccccc1[*:1] O=C(C=C[*:1])Nc1ccc(cc1)Cn1ccccc1=O
O=C(/C=C\c1ccccc1Cl)Nc1ccc(Cn2ccccc2=O)cc1 O=c1ccccn1C[*:1] O=C(/C=C\c1ccccc1Cl)Nc1ccc(cc1)[*:1]
Cc1cccnc1NC(=O)CCn1c(=O)oc2ccccc21 Cc1cccnc1[*:1] O=C(CCn1c(=O)oc2ccccc21)N[*:1]
CC(=O)c1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2N)c1 CC(=O)[*:1] Nn1c(nnc1C(F)(F)F)SCC(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2N)c1 FC(F)(F)[*:1] CC(=O)c1cccc(c1)NC(=O)CSc1nnc(n1N)[*:1]
Cc1nc2c(-c3ccccc3)nc(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)nc2s1 c1ccc(cc1)[*:1] Cc1nc2c(nc(nc2s1)SCC(=O)N1C[C@@H](C)O[C@H](C)C1)[*:1]
CCS(=O)(=O)CC(=O)Nc1ccccc1C(C)C CCS(=O)(=O)[*:1] CC(C)c1ccccc1NC(=O)C[*:1]
CCS(=O)(=O)CC(=O)Nc1ccccc1C(C)C CC(C)[*:1] CCS(=O)(=O)CC(=O)Nc1ccccc1[*:1]
CCS(=O)(=O)CC(=O)Nc1ccccc1C(C)C CCS(=O)(=O)C[*:1] CC(C)c1ccccc1NC(=O)[*:1]
Cc1cc(C)c(O)c(NS(=O)(=O)C2CCOCC2)c1 C1CC(CCO1)[*:1] Cc1cc(C)c(O)c(c1)NS(=O)(=O)[*:1]
Cc1cccn2c(=O)cc(COc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc12 Fc1ccc(cc1)[*:1] Cc1cccn2c(=O)cc(COc3ccc(cc3)NC(=O)[*:1])nc12
Cc1cccn2c(=O)cc(COc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc12 O=C(N[*:1])c1ccc(F)cc1 Cc1cccn2c(=O)cc(COc3ccc(cc3)[*:1])nc12
CC[C@@](C)([NH3+])c1nc(C)c(-c2ccco2)[nH]1 c1coc(c1)[*:1] CC[C@@](C)([NH3+])c1nc(C)c([nH]1)[*:1]
CCS(=O)(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 Fc1ccc(cc1F)[*:1] CCS(=O)(=O)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
Cc1oc(-c2ccco2)nc1CC(=O)N1CCc2c(F)ccc(F)c2C1 c1coc(c1)[*:1] Cc1oc(nc1CC(=O)N1CCc2c(F)ccc(F)c2C1)[*:1]
COc1ccc(Cn2c(S[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)nc3ccccc32)cc1 COc1ccc(cc1)[*:1] OC[C@@H]1O[C@H](Sc2nc3ccccc3n2C[*:1])[C@H](O)[C@H](O)[C@@H]1O
COc1ccc(Cn2c(S[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)nc3ccccc32)cc1 COc1ccc(cc1)C[*:1] OC[C@@H]1O[C@H](Sc2nc3ccccc3n2[*:1])[C@H](O)[C@H](O)[C@@H]1O
CC(=O)c1ccc(-c2cc(Br)ccc2F)cc1 CC(=O)[*:1] Fc1ccc(Br)cc1-c1ccc(cc1)[*:1]
C/C(=N/NC(=O)COc1ccccc1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C/C(=N/NC(=O)CO[*:1])c1ccc(cc1)-c1ccccc1
C/C(=N/NC(=O)COc1ccccc1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)OC[*:1] C/C(=N/NC(=O)[*:1])c1ccc(cc1)-c1ccccc1
C/C(=N/NC(=O)COc1ccccc1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)O[*:1] C/C(=N/NC(=O)C[*:1])c1ccc(cc1)-c1ccccc1
C/C(=N/NC(=O)COc1ccccc1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C/C(=N/NC(=O)COc1ccccc1)c1ccc(cc1)[*:1]
COc1ccc(OCC[NH+](C)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)OCC[NH+](C)C[*:1]
CC[C@@H]1CCCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)C1 FC(F)(F)[*:1] CC[C@@H]1CCCN(C1)C(=O)Cn1c(nc2ccccc21)[*:1]
OC1(C(F)(F)F)CCN(Cc2nnnn2-c2ccccc2)CC1 FC(F)(F)[*:1] OC1(CCN(CC1)Cc1nnnn1-c1ccccc1)[*:1]
OC1(C(F)(F)F)CCN(Cc2nnnn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] OC1(CCN(CC1)Cc1nnnn1[*:1])C(F)(F)F
Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O Cn1ccc(n1)[*:1] Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCCN(C1=O)[*:1]
Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O Cc1ccsc1[*:1] C[C@@H]([NH2+][C@H]1CCCN(C1=O)c1ccn(C)n1)[*:1]
Cc1nn(C)c(C)c1C(=O)NNC(=O)CN1CCCc2ccccc21 Cc1nn(C)c(C)c1[*:1] O=C(CN1CCCc2ccccc21)NNC(=O)[*:1]
COc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3cc(C#N)ccc3F)C2)cc1 COc1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1C(=O)NCc1cc(C#N)ccc1F)[*:1]
COc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3cc(C#N)ccc3F)C2)cc1 N#Cc1ccc(F)c(c1)[*:1] COc1ccc(cc1)[C@H]1C[C@H](C)N(C1)C(=O)NC[*:1]
C[C@@H](NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1)[C@H]1CN(C)CCO1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cnc(s1)[*:1])[C@H]1CN(C)CCO1
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NC3CCC(C)(C)CC3)C2)CC1 CC1(C)CCC(CC1)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)N[*:1]
C[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] C[NH+]1CCC(CC1)CNC(=O)Nc1ccc(cc1)[*:1]
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)/C=C/c3cccnc3)C2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](C)N(C1)C(=O)C=C[*:1]
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)/C=C/c3cccnc3)C2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1C(=O)/C=C/c1cccnc1)[*:1]
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)/C=C/c3cccnc3)C2)cc1 C(=C[*:1])c1cccnc1 COc1ccc(cc1)[C@@H]1C[C@@H](C)N(C1)C(=O)[*:1]
COC(=O)c1ncn2c1C(=O)N(Cc1ccc3c(c1)OCO3)[C@](C)(C(=O)NC1CCCCC1)C2 c1cc2OCOc2cc1[*:1] COC(=O)c1ncn2C[C@@](C)(C(=O)NC3CCCCC3)N(C[*:1])C(=O)c12
COC(=O)c1ncn2c1C(=O)N(Cc1ccc3c(c1)OCO3)[C@](C)(C(=O)NC1CCCCC1)C2 c1cc2OCOc2cc1C[*:1] COC(=O)c1ncn2C[C@@](C)(C(=O)NC3CCCCC3)N(C(=O)c12)[*:1]
COC(=O)c1ncn2c1C(=O)N(Cc1ccc3c(c1)OCO3)[C@](C)(C(=O)NC1CCCCC1)C2 C1CCC(CC1)[*:1] COC(=O)c1ncn2C[C@@](C)(C(=O)N[*:1])N(Cc3ccc4OCOc4c3)C(=O)c12
COC(=O)c1ncn2c1C(=O)N(Cc1ccc3c(c1)OCO3)[C@](C)(C(=O)NC1CCCCC1)C2 O=C(NC1CCCCC1)[*:1] COC(=O)c1ncn2C[C@@](C)(N(Cc3ccc4OCOc4c3)C(=O)c12)[*:1]
COC(=O)c1ncn2c1C(=O)N(Cc1ccc3c(c1)OCO3)[C@](C)(C(=O)NC1CCCCC1)C2 COC(=O)[*:1] C[C@]1(Cn2cnc(c2C(=O)N1Cc1ccc2OCOc2c1)[*:1])C(=O)NC1CCCCC1
Cc1cc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)nn1C(C)(C)C CC(C)(C)[*:1] Cc1cc(nn1[*:1])C(=O)NC1CCC(CC1)Oc1ccc(C#N)cn1
Cc1cc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)nn1C(C)(C)C N#Cc1ccc(nc1)[*:1] Cc1cc(nn1C(C)(C)C)C(=O)NC1CCC(CC1)O[*:1]
Cc1cc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)nn1C(C)(C)C N#Cc1ccc(nc1)O[*:1] Cc1cc(nn1C(C)(C)C)C(=O)NC1CCC(CC1)[*:1]
CC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)N[*:1]
CC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2ncccc21
CC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)cc1 CC(=O)[*:1] O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)cc1 Fc1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)NC(=O)Cn1c(=O)n(c(=O)c2ncccc21)[*:1]
Cc1ccc([C@H](C)NC(=O)c2cccc(N3CCCNC3=O)c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccc(c1)N1CCCNC1=O)[*:1]
Cc1ccc([C@H](C)NC(=O)c2cccc(N3CCCNC3=O)c2)cc1 O=C1NCCCN1[*:1] Cc1ccc(cc1)[C@H](C)NC(=O)c1cccc(c1)[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2ccccn2)CC1 c1ccc(nc1)[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCN(CC1)C[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2ccccn2)CC1 Fc1ccc(F)c(c1)[*:1] O=S(=O)(N1CCN(CC1)Cc1ccccn1)[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 O=S(=O)(c1cc(F)ccc1F)N1CCN(CC1)[*:1]
COc1ccc2[nH]c3c(c2c1)CCN[C@@]31C(=O)N(CC(C)C)c2ccccc21 CC(C)[*:1] COc1ccc2[nH]c3c(CCN[C@@]34C(=O)N(C[*:1])c3ccccc34)c2c1
COc1ccc2[nH]c3c(c2c1)CCN[C@@]31C(=O)N(CC(C)C)c2ccccc21 CC(C)C[*:1] COc1ccc2[nH]c3c(CCN[C@@]34C(=O)N(c3ccccc34)[*:1])c2c1
Cc1nc(N2CCN(C(=O)C3CCCC3)CC2)cc(N2CC[NH+](C)CC2)n1 C1CCC(C1)[*:1] Cc1nc(cc(n1)N1CC[NH+](C)CC1)N1CCN(CC1)C(=O)[*:1]
Cc1nnc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)s1 Cc1nnc(s1)[*:1] CC(C)n1c(nc2c1c(=O)n(C)c(=O)n2C)SCC(=O)N[*:1]
Cc1nnc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)s1 CC(C)[*:1] Cc1nnc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2[*:1])s1
Cc1nnc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)s1 Cc1nnc(NC(=O)[*:1])s1 CC(C)n1c(nc2c1c(=O)n(C)c(=O)n2C)SC[*:1]
C[C@H](c1ccccc1)N1C(=O)N[C@](NC(=O)c2ccncc2)(C(F)(F)F)C1=O FC(F)(F)[*:1] C[C@H](c1ccccc1)N1C(=O)N[C@](NC(=O)c2ccncc2)(C1=O)[*:1]
C[C@H](c1ccccc1)N1C(=O)N[C@](NC(=O)c2ccncc2)(C(F)(F)F)C1=O c1cc(ccn1)[*:1] C[C@H](c1ccccc1)N1C(=O)N[C@@](NC(=O)[*:1])(C1=O)C(F)(F)F
C[C@H](c1ccccc1)N1C(=O)N[C@](NC(=O)c2ccncc2)(C(F)(F)F)C1=O C[C@H](c1ccccc1)[*:1] O=C(N[C@@]1(NC(=O)N(C1=O)[*:1])C(F)(F)F)c1ccncc1
C[C@H](c1ccccc1)N1C(=O)N[C@](NC(=O)c2ccncc2)(C(F)(F)F)C1=O O=C(N[*:1])c1ccncc1 C[C@H](c1ccccc1)N1C(=O)N[C@@](C1=O)(C(F)(F)F)[*:1]
C[C@H](c1ccccc1)N1C(=O)N[C@](NC(=O)c2ccncc2)(C(F)(F)F)C1=O c1ccc(cc1)[*:1] C[C@H](N1C(=O)N[C@@](NC(=O)c2ccncc2)(C1=O)C(F)(F)F)[*:1]
O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)N1CCC[C@H](N2CCCC2=O)C1 O=C1CCCN1[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)N1CCC[C@H](C1)[*:1]
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 Clc1cccc(c1)[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CC1)Cc1ccc(s1)[*:1]
O=C(NC1(c2cccc(F)c2)CC1)[C@H]1COc2ccc(F)cc2C1 Fc1cccc(c1)[*:1] O=C(NC1(CC1)[*:1])[C@H]1COc2ccc(F)cc2C1
C[C@H]1CN(CCC(=O)NNC(=O)c2ccncc2Cl)C[C@H](C)O1 Clc1cnccc1[*:1] C[C@H]1CN(CCC(=O)NNC(=O)[*:1])C[C@H](C)O1
CN(C[C@H]1CCCN1C(=O)COc1ccccc1F)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(C[C@H]1CCCN1C(=O)COc1ccccc1F)C(=O)O[*:1]
CN(C[C@H]1CCCN1C(=O)COc1ccccc1F)C(=O)OC(C)(C)C Fc1ccccc1[*:1] CN(C[C@H]1CCCN1C(=O)CO[*:1])C(=O)OC(C)(C)C
CN(C[C@H]1CCCN1C(=O)COc1ccccc1F)C(=O)OC(C)(C)C Fc1ccccc1O[*:1] CN(C[C@H]1CCCN1C(=O)C[*:1])C(=O)OC(C)(C)C
Nc1nc(CCC(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)cs1 Nc1nc(cs1)C[*:1] O=C(C[*:1])N1CC[C@H](Cc2cccc(c2)CO)C1
Nc1nc(CCC(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)cs1 Nc1nc(cs1)[*:1] O=C(CC[*:1])N1CC[C@H](Cc2cccc(c2)CO)C1
Nc1nc(CCC(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)cs1 OCc1cccc(c1)[*:1] Nc1nc(cs1)CCC(=O)N1CC[C@@H](C1)C[*:1]
Nc1nc(CCC(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)cs1 Nc1nc(cs1)CC[*:1] O=C(N1CC[C@H](Cc2cccc(c2)CO)C1)[*:1]
C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1N(C)C CN(C)[*:1] C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2OCCOc2c1)c1ccccc1[*:1]
CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc3ccccc23)no1 CC(C)(C)[*:1] O=S(=O)([N-]c1cc(on1)[*:1])c1cccc2ccccc12
CCSc1ccccc1C(=O)N(CCN1CCOCC1)c1nc2c(C)cccc2s1 CCS[*:1] Cc1cccc2sc(nc12)N(CCN1CCOCC1)C(=O)c1ccccc1[*:1]
CCSc1ccccc1C(=O)N(CCN1CCOCC1)c1nc2c(C)cccc2s1 C1CN(CCO1)[*:1] CCSc1ccccc1C(=O)N(CC[*:1])c1nc2c(C)cccc2s1
CCSc1ccccc1C(=O)N(CCN1CCOCC1)c1nc2c(C)cccc2s1 Cc1cccc2sc(nc12)[*:1] CCSc1ccccc1C(=O)N(CCN1CCOCC1)[*:1]
CCSc1ccccc1C(=O)N(CCN1CCOCC1)c1nc2c(C)cccc2s1 C1CN(CCO1)CC[*:1] CCSc1ccccc1C(=O)N(c1nc2c(C)cccc2s1)[*:1]
CCSc1ccccc1C(=O)N(CCN1CCOCC1)c1nc2c(C)cccc2s1 C1CN(CCO1)C[*:1] CCSc1ccccc1C(=O)N(C[*:1])c1nc2c(C)cccc2s1
CCSc1ccccc1C(=O)N(CCN1CCOCC1)c1nc2c(C)cccc2s1 CCSc1ccccc1[*:1] Cc1cccc2sc(nc12)N(CCN1CCOCC1)C(=O)[*:1]
COc1ccccc1-c1nn2c(-c3cc(-c4ccc(Cl)cc4)n[nH]3)nnc2s1 COc1ccccc1[*:1] Clc1ccc(cc1)-c1cc([nH]n1)-c1nnc2sc(nn12)[*:1]
COc1ccccc1-c1nn2c(-c3cc(-c4ccc(Cl)cc4)n[nH]3)nnc2s1 Clc1ccc(cc1)[*:1] COc1ccccc1-c1nn2c(nnc2s1)-c1cc(n[nH]1)[*:1]
Cc1cc(C)cc(NC(=O)CN2CC[NH+](CCC(C)(C)C)CC2)c1 CC(C)(C)CC[*:1] Cc1cc(C)cc(c1)NC(=O)CN1CC[NH+](CC1)[*:1]
Cc1cc(C)cc(NC(=O)CN2CC[NH+](CCC(C)(C)C)CC2)c1 Cc1cc(C)cc(c1)[*:1] CC(C)(C)CC[NH+]1CCN(CC1)CC(=O)N[*:1]
Cc1cc(C)cc(NC(=O)CN2CC[NH+](CCC(C)(C)C)CC2)c1 CC(C)(C)C[*:1] Cc1cc(C)cc(c1)NC(=O)CN1CC[NH+](CC1)C[*:1]
Cc1cc(C)cc(NC(=O)CN2CC[NH+](CCC(C)(C)C)CC2)c1 CC(C)(C)[*:1] Cc1cc(C)cc(c1)NC(=O)CN1CC[NH+](CC1)CC[*:1]
O=C(NCc1ccc(Cn2ccnc2)cc1)NNC(=O)[C@H]1CCCO1 c1cn(cn1)C[*:1] O=C(NCc1ccc(cc1)[*:1])NNC(=O)[C@H]1CCCO1
O=C(NCc1ccc(Cn2ccnc2)cc1)NNC(=O)[C@H]1CCCO1 c1cn(cn1)[*:1] O=C(NCc1ccc(cc1)C[*:1])NNC(=O)[C@H]1CCCO1
CN(CC(=O)N1CCCC1)c1ncnc2c1oc1ccccc12 O=C(N1CCCC1)[*:1] CN(C[*:1])c1ncnc2c1oc1ccccc12
CCN(CC)C(=O)N1CCC(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1 c1ccc2c(c[nH]c2c1)[*:1] CCN(CC)C(=O)N1CCC(CC1)C(=O)NNC(=O)C[*:1]
CS(=O)(=O)[N-]c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)[nH+]c1 FC(F)(F)[*:1] CS(=O)(=O)[N-]c1ccc([nH+]c1)N1CCN(CC1)c1ccc(cn1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCC(=O)OCc2ccccc2Cl)C1 Clc1ccccc1C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCC(=O)O[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCC(=O)OCc2ccccc2Cl)C1 Clc1ccccc1[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCC(=O)OC[*:1]
O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 c1ccc(cc1)[*:1] O=C1/C(=C/c2cccc(Br)c2)Oc2cc(ccc21)OS(=O)(=O)[*:1]
O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 Brc1cccc(c1)[*:1] O=C1C(=C[*:1])Oc2cc(ccc21)OS(=O)(=O)c1ccccc1
COC[C@H]1CN(Cc2cc(-c3ccccc3)[nH]n2)CCO1 COC[*:1] c1ccc(cc1)-c1cc(CN2CCO[C@H](C2)[*:1])n[nH]1
COC[C@H]1CN(Cc2cc(-c3ccccc3)[nH]n2)CCO1 c1ccc(cc1)[*:1] COC[C@H]1CN(CCO1)Cc1cc([nH]n1)[*:1]
CCCC(=CC(=O)Nc1c(C)nn(C)c1OC)CCC CCC[*:1] CCCC(=CC(=O)Nc1c(C)nn(C)c1OC)[*:1]
O=C(CNC(=O)c1ccccc1Cl)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(CNC(=O)c1ccccc1Cl)Nc1cccc(c1)C(=O)N[*:1]
O=C(CNC(=O)c1ccccc1Cl)Nc1cccc(C(=O)NC2CC2)c1 Clc1ccccc1[*:1] O=C(CNC(=O)[*:1])Nc1cccc(c1)C(=O)NC1CC1
O=C(CNC(=O)c1ccccc1Cl)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(CNC(=O)c1ccccc1Cl)Nc1cccc(c1)[*:1]
CCS[C@H]1CCCCN(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 CCS[*:1] CCN1CC[NH+](CC1)C[C@H](C)CNC(=O)N1CCCC[C@@H](C1)[*:1]
O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc2noc(c2c1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(CC1)S(=O)(=O)[*:1]
CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)N1CCN(c3cccc[nH+]3)CC1)C2=O Clc1ccccc1[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC(=O)N3CCN(CC3)c3cccc[nH+]3)CC=21)[*:1]
CCOC(=O)CSCC(=O)N1C[C@H](C)O[C@H](C)C1 CCOC(=O)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CSC[*:1]
CCOC(=O)CSCC(=O)N1C[C@H](C)O[C@H](C)C1 CCOC(=O)C[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CS[*:1]
CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)C2(c3cccc(Cl)c3)CCCC2)C1 CS(=O)(=O)[*:1] O=C(O[C@H]1CC[C@H](C1)[*:1])C1(CCCC1)c1cccc(Cl)c1
CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)C2(c3cccc(Cl)c3)CCCC2)C1 Clc1cccc(c1)[*:1] CS(=O)(=O)[C@@H]1CC[C@@H](C1)OC(=O)C1(CCCC1)[*:1]
CCN(C(=O)/C=C/c1ccc2ccccc2n1)[C@@H](C)C(C)C CC(C)[*:1] CCN(C(=O)/C=C/c1ccc2ccccc2n1)[C@@H](C)[*:1]
CCN(C(=O)/C=C/c1ccc2ccccc2n1)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCN(C(=O)/C=C/c1ccc2ccccc2n1)[*:1]
C[C@H](C(=O)NCCn1cccc1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](C(=O)NCCn1cccc1)[*:1]
C[C@H](C(=O)NCCn1cccc1)S(C)(=O)=O c1ccn(c1)[*:1] C[C@H](C(=O)NCC[*:1])S(C)(=O)=O
CC(C)(C)OC(=O)CCSc1nnc(N2CCCC2)s1 C1CCN(C1)[*:1] CC(C)(C)OC(=O)CCSc1nnc(s1)[*:1]
CC(C)(C)OC(=O)CCSc1nnc(N2CCCC2)s1 CC(C)(C)[*:1] O=C(CCSc1nnc(s1)N1CCCC1)O[*:1]
CCOc1ccc(CC(=O)NCC2CCN(C(=O)c3cnccn3)CC2)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])NCC1CCN(CC1)C(=O)c1cnccn1
CCOc1ccc(CC(=O)NCC2CCN(C(=O)c3cnccn3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(C[*:1])NCC1CCN(CC1)C(=O)c1cnccn1
CCOc1ccc(CC(=O)NCC2CCN(C(=O)c3cnccn3)CC2)cc1 c1cnc(cn1)[*:1] CCOc1ccc(cc1)CC(=O)NCC1CCN(CC1)C(=O)[*:1]
CCC[C@@H](C[NH3+])[C@H](O)CCC1CCCCC1 CCC[*:1] [NH3+]C[C@@H]([C@H](O)CCC1CCCCC1)[*:1]
C/C=C(/C)C(=O)NC[C@H](c1cccs1)[NH+](C)C CC=C(C)[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])c1cccs1
C/C=C(/C)C(=O)NC[C@H](c1cccs1)[NH+](C)C c1csc(c1)[*:1] C/C=C(/C)C(=O)NC[C@H]([NH+](C)C)[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 CNC(=O)[*:1] Cc1ccc(NC(=O)[C@H](C)n2nnc(n2)-c2ccccc2)c(c1)[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CNC(=O)c1cc(C)ccc1NC(=O)[C@H](C)n1nnc(n1)[*:1]
C[C@H](c1nc(-c2ccccc2)no1)N1CCO[C@H](c2ccccc2F)C1 c1ccc(cc1)[*:1] C[C@H](c1nc(no1)[*:1])N1CCO[C@@H](C1)c1ccccc1F
C[C@H](c1nc(-c2ccccc2)no1)N1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] C[C@H](c1nc(no1)-c1ccccc1)N1CCO[C@H](C1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)C1 Fc1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)C1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CCOC(=O)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 CCOC(=O)[*:1] Cc1ccc2c(c1)[C@@H](C[C@H](C)N2C(=O)c1ccccc1)[*:1]
CCOC(=O)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1C[C@H](C)N(C(=O)[*:1])c2ccc(C)cc21
Cc1cccc(C)c1NC(=O)CCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 Cc1cccc(C)c1[*:1] O=C(CCC(=O)N[*:1])N/N=C/c1c2ccccc2cc2ccccc12
N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H](Cc2ccccc2)C1 FC(F)(F)[*:1] N#Cc1ccc(nc1N1CC[C@H](Cc2ccccc2)C1)[*:1]
N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] N#Cc1ccc(nc1N1CC[C@@H](C1)C[*:1])C(F)(F)F
N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] N#Cc1ccc(nc1N1CC[C@H](C1)[*:1])C(F)(F)F
C/C(CCc1ccc2c(c1)OCO2)=N/NC(=S)NC(C)C CC(C)[*:1] C/C(CCc1ccc2OCOc2c1)=N/NC(=S)N[*:1]
Cc1cccnc1C[C@@H](Cl)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1cccnc1C[C@@H](Cl)[*:1]
C[C@H]([NH3+])[C@H](SC1COC1)c1ccccn1 C1OCC1S[*:1] C[C@H]([NH3+])[C@H](c1ccccn1)[*:1]
C[C@H]([NH3+])[C@H](SC1COC1)c1ccccn1 C1OCC1[*:1] C[C@H]([NH3+])[C@H](S[*:1])c1ccccn1
CCOc1ccc(NC(=O)NC[C@@](C)(O)COC)cc1 CCO[*:1] COC[C@](C)(O)CNC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)NC[C@@](C)(O)COC)cc1 COC[*:1] CCOc1ccc(cc1)NC(=O)NC[C@@](C)(O)[*:1]
C[C@@]12NC(=S)N[C@@H](c3cc(Br)ccc3O1)[C@H]2C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@]12NC(=S)N[C@@H](c3cc(Br)ccc3O1)[C@H]2C(=O)N[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ccc(Br)cc1 c1cc(cs1)C[*:1] C[C@H](N(C)C(=O)Nc1ccc(Br)cc1)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ccc(Br)cc1 c1cc(cs1)[*:1] C[C@H](C[*:1])N(C)C(=O)Nc1ccc(Br)cc1
CCc1ccc([C@@H](C)C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 CCc1ccc(cc1)[*:1] C[C@@H](C(=O)NN1C(=O)N[C@@](C)(C1=O)c1ccccc1)[*:1]
CCc1ccc([C@@H](C)C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)NN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1
Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c(C)c1 O[C@@H](C[*:1])c1ccccc1 Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2[*:1])c(C)c1
Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c(C)c1 O[C@H](c1ccccc1)[*:1] Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[*:1])c(C)c1
Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)[*:1])c(C)c1
CC(C)n1c(=O)oc2cc(NC(=O)NCc3ccc(F)cc3)ccc21 CC(C)[*:1] O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)oc(=O)n2[*:1]
CC(C)n1c(=O)oc2cc(NC(=O)NCc3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CC(C)n1c(=O)oc2cc(ccc21)NC(=O)NC[*:1]
CC(C)n1c(=O)oc2cc(NC(=O)NCc3ccc(F)cc3)ccc21 Fc1ccc(cc1)C[*:1] CC(C)n1c(=O)oc2cc(ccc21)NC(=O)N[*:1]
CCCC[NH+]1CCC(NC(=O)c2n[nH]c(CC)n2)CC1 CCC[*:1] CCc1nc(n[nH]1)C(=O)NC1CC[NH+](CC1)C[*:1]
CCCC[NH+]1CCC(NC(=O)c2n[nH]c(CC)n2)CC1 CCCC[*:1] CCc1nc(n[nH]1)C(=O)NC1CC[NH+](CC1)[*:1]
CCOC(=O)CCn1c(=O)c2c(nc3n(C)c(C)cn23)n(C)c1=O CCOC(=O)[*:1] Cc1cn2c3c(=O)n(CC[*:1])c(=O)n(C)c3nc2n1C
CCOC(=O)CCn1c(=O)c2c(nc3n(C)c(C)cn23)n(C)c1=O CCOC(=O)CC[*:1] Cc1cn2c3c(=O)n(c(=O)n(C)c3nc2n1C)[*:1]
CCOC(=O)CCn1c(=O)c2c(nc3n(C)c(C)cn23)n(C)c1=O CCOC(=O)C[*:1] Cc1cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1C
C=CC[NH+](CC=C)Cc1cccc(C(=O)NC)c1 CNC(=O)[*:1] C=CC[NH+](CC=C)Cc1cccc(c1)[*:1]
C=CC[NH+](CC=C)Cc1cccc(C(=O)NC)c1 C=CC[*:1] C=CC[NH+](Cc1cccc(c1)C(=O)NC)[*:1]
O=C(COC(=O)C1(O)CCCC1)N1CCO[C@@H]2CCCC[C@@H]21 OC1(CCCC1)[*:1] O=C(COC(=O)[*:1])N1CCO[C@@H]2CCCC[C@@H]21
COc1ccc(-c2csc(NC(=O)[C@@H](C)OC)n2)cc1F CO[C@H](C)C(=O)N[*:1] COc1ccc(cc1F)-c1csc(n1)[*:1]
COc1ccc(-c2csc(NC(=O)[C@@H](C)OC)n2)cc1F CO[C@H](C)[*:1] COc1ccc(cc1F)-c1csc(n1)NC(=O)[*:1]
Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 Cc1ccccc1[*:1] O=S(=O)(c1ccc2CCCCc2c1)N1CCC[C@@H]1[*:1]
CCn1cc(-c2cc(C(=O)N3CCC(=O)[C@@H]4CCCC[C@H]43)c3ccccc3n2)cn1 CCn1cc(cn1)[*:1] O=C1CCN(C(=O)c2cc(nc3ccccc23)[*:1])[C@@H]2CCCC[C@@H]12
CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cncc(Br)c3)c(C)c2s1 CC/C(C)=N\N[*:1] Cc1cc2nc(sc2c(C)c1NC(=O)c1cncc(Br)c1)[*:1]
CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cncc(Br)c3)c(C)c2s1 Brc1cncc(c1)[*:1] CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)[*:1])c(C)c2s1
CCOC(=O)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1[*:1]
CCOC(=O)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(=O)C(=O)N([C@@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
CCOC(=O)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 CCOC(=O)[*:1] O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(cc2)[N+](=O)[O-])[C@H]1[*:1]
CCOC(=O)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCOC(=O)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(cc1)[*:1]
CCc1noc(CC)c1CNC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 CCc1noc(CC)c1[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)NC[*:1]
CCc1noc(CC)c1CNC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 Cc1cccc(c1C)[*:1] CCc1noc(CC)c1CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] CN(CC[*:1])S(=O)(=O)c1ccc2OCCOc2c1
CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 c1ccc(cc1)C[*:1] CN(C[*:1])S(=O)(=O)c1ccc2OCCOc2c1
CC(C)(C)c1nc2cc(NC(=O)C[C@H]3C=CCC3)ccc2o1 CC(C)(C)[*:1] O=C(C[C@H]1C=CCC1)Nc1ccc2oc(nc2c1)[*:1]
CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C)cc1NC CC[C@@H](C)[*:1] CNc1cc(C)ccc1C(=O)N[C@@H](C)[*:1]
CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C)cc1NC CC[C@@H](C)[C@H](C)[*:1] CNc1cc(C)ccc1C(=O)N[*:1]
COc1ccc(/C=N/n2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc2[nH]c3c(=O)n(cnc3c2c1)N=C[*:1]
COc1ccc(C)cc1NCC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] COc1ccc(C)cc1NCC(C)(C)[*:1]
CSCC[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 CSCC[C@@H](C)[*:1] O=C(N[*:1])N1CCC[C@H]1C[NH+]1CCCC1
CSCC[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 CSC[*:1] C[C@H](C[*:1])NC(=O)N1CCC[C@H]1C[NH+]1CCCC1
CSCC[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 CSCC[*:1] C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[*:1]
C[C@@H](C(N)=O)S(=O)(=O)Cc1noc(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] C[C@@H](C(N)=O)S(=O)(=O)Cc1noc(n1)[*:1]
C[C@@H](C(N)=O)S(=O)(=O)Cc1noc(-c2ccccc2Cl)n1 NC(=O)[*:1] C[C@@H](S(=O)(=O)Cc1noc(n1)-c1ccccc1Cl)[*:1]
CCCCSc1nc2n(n1)[C@@H](c1sccc1C)C(C(C)=O)=C(C)N2 CC(=O)[*:1] CCCCSc1nc2NC(C)=C([C@H](c3sccc3C)n2n1)[*:1]
CCCCSc1nc2n(n1)[C@@H](c1sccc1C)C(C(C)=O)=C(C)N2 CCC[*:1] CC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1sccc1C)SC[*:1]
CCCCSc1nc2n(n1)[C@@H](c1sccc1C)C(C(C)=O)=C(C)N2 Cc1ccsc1[*:1] CCCCSc1nc2NC(C)=C(C(C)=O)[C@H](n2n1)[*:1]
CCCCSc1nc2n(n1)[C@@H](c1sccc1C)C(C(C)=O)=C(C)N2 CCCCS[*:1] CC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1sccc1C)[*:1]
CCCCSc1nc2n(n1)[C@@H](c1sccc1C)C(C(C)=O)=C(C)N2 CCCC[*:1] CC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1sccc1C)S[*:1]
CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 O=C([O-])C[*:1] CCNS(=O)(=O)c1ccc(cc1)[*:1]
CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 O=C([O-])[*:1] CCNS(=O)(=O)c1ccc(cc1)C[*:1]
CCNC(=O)c1ccc(C[NH2+]C2CCN(C(=O)OCC)CC2)cc1 CCNC(=O)[*:1] CCOC(=O)N1CCC(CC1)[NH2+]Cc1ccc(cc1)[*:1]
CC(/C=C/c1ccccc1)=N\NC(=O)c1cccnc1 c1cncc(c1)[*:1] CC(/C=C/c1ccccc1)=N\NC(=O)[*:1]
CC(/C=C/c1ccccc1)=N\NC(=O)c1cccnc1 c1ccc(cc1)[*:1] C/C(C=C[*:1])=N\NC(=O)c1cccnc1
O=C(Nc1cnc(-c2ccccc2)s1)C(=O)N[C@@H]1CCc2cc(F)ccc21 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])C(=O)N[C@@H]1CCc2cc(F)ccc21
Cc1ocnc1CNC(=O)NCC(C1CC1)C1CC1 C1CC1[*:1] Cc1ocnc1CNC(=O)NCC(C1CC1)[*:1]
Cc1ocnc1CNC(=O)NCC(C1CC1)C1CC1 Cc1ocnc1[*:1] O=C(NCC(C1CC1)C1CC1)NC[*:1]
CN(CC(F)(F)F)C(=O)CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 FC(F)(F)C[*:1] CN(C(=O)CN1CCC[NH+](CC1)Cc1ccc(C#N)cc1)[*:1]
CN(CC(F)(F)F)C(=O)CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] CN(CC(F)(F)F)C(=O)CN1CCC[NH+](CC1)C[*:1]
CN(CC(F)(F)F)C(=O)CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 FC(F)(F)[*:1] CN(C[*:1])C(=O)CN1CCC[NH+](CC1)Cc1ccc(C#N)cc1
COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3)C2)[C@H]1C Clc1ccc(cc1)C[*:1] COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@@H](C2)C(=O)N[*:1])[C@H]1C
COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3)C2)[C@H]1C COC(=O)[*:1] CC1N=C(C(=O)N2CCC[C@@H](C2)C(=O)NCc2ccc(Cl)cc2)[C@@H](C)C=1[*:1]
COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3)C2)[C@H]1C Clc1ccc(cc1)[*:1] COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@@H](C2)C(=O)NC[*:1])[C@H]1C
CNc1ccc([N+](=O)[O-])c(-c2cc(F)cc(F)c2)n1 O=[N+]([O-])[*:1] CNc1ccc(c(n1)-c1cc(F)cc(F)c1)[*:1]
CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ccccn3)cc(-c3ccco3)nc21 c1coc(c1)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)[C@@H](C#N)c1ccccn1
CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ccccn3)cc(-c3ccco3)nc21 CC(C)[*:1] N#C[C@H](C(=O)c1cc(nc2c1cnn2[*:1])-c1ccco1)c1ccccn1
CC(C)n1ncc2c(C(=O)[C@@H](C#N)c3ccccn3)cc(-c3ccco3)nc21 c1ccc(nc1)[*:1] CC(C)n1ncc2c(cc(nc21)-c1ccco1)C(=O)[C@@H](C#N)[*:1]
O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CC1CCN(CC1)C(=O)NC1CCCCC1)NCC[*:1]
O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(CC1CCN(CC1)C(=O)NC1CCCCC1)N[*:1]
O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CC1CCN(CC1)C(=O)NC1CCCCC1)NC[*:1]
O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCc1ccccc1 C1CCC(CC1)[*:1] O=C(CC1CCN(CC1)C(=O)N[*:1])NCCc1ccccc1
CC(=O)Nc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)s1 CC(=O)N[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(s1)[*:1]
CCCc1nnc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)s1 Cc1nc(cs1)[*:1] CCCc1nnc(NC(=O)c2cc(c[nH]2)[*:1])s1
CCCc1nnc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)s1 CCC[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)Nc1nnc(s1)[*:1]
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 C1CCC(C1)[*:1] Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 Cc1n[nH]c(C)c1[*:1] O=C(C1CCCC1)N1CCc2ccc(cc21)NS(=O)(=O)[*:1]
CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1F Fc1ccc(Br)cc1[*:1] CCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1[*:1]
CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1F CCCC[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)O[*:1])c1cc(Br)ccc1F
CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1F CCC[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)OC[*:1])c1cc(Br)ccc1F
CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1F CCCCOC(=O)[*:1] CC1Nc2nnnn2[C@H](C=1[*:1])c1cc(Br)ccc1F
CC(C)(C)C(=O)Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1 CC(C)(C)C(=O)N[*:1] O=c1cc(oc2ccc(cc12)[*:1])-c1ccccc1
CC(C)(C)C(=O)Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)Nc1ccc2oc(cc(=O)c2c1)[*:1]
CC(C)(C)C(=O)Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1 CC(C)(C)[*:1] O=C(Nc1ccc2oc(cc(=O)c2c1)-c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)c2ccc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)nn2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)C1CCN(CC1)c1ccc(nn1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)c2ccc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)nn2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)c1ccc(nn1)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)c2ccc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)nn2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1ccc(nn1)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)c2ccc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)nn2)cc1 O=C(NCc1ccc(F)cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1ccc(nn1)N1CCC(CC1)[*:1]
Cc1ccc(S(=O)(=O)c2ccc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)nn2)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] O=C(NCc1ccc(F)cc1)C1CCN(CC1)c1ccc(nn1)[*:1]
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCc3c(Cl)ccc(F)c32)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCCc3c(Cl)ccc(F)c32)C1=O)[*:1]
CC1(C)NC(=O)N(CCC(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)C1=O CC1(C)NC(=O)N(C1=O)[*:1] O=C1NCC2(CCN(CC2)C(=O)CC[*:1])Oc2ccccc21
CC1(C)NC(=O)N(CCC(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)C1=O CC1(C)NC(=O)N(C[*:1])C1=O O=C1NCC2(CCN(CC2)C(=O)C[*:1])Oc2ccccc21
CC[C@@H](C)n1ncc(C(=O)Nc2ccc3c(c2)CCN3C(N)=O)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ccc3c(c2)CCN3C(N)=O)c1[*:1]
CC[C@@H](CNC(=O)NCc1nncn1CC)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)NCc1nncn1CC)[*:1]
CC[C@@H](CNC(=O)NCc1nncn1CC)c1ccccc1 CCn1cnnc1[*:1] CC[C@@H](CNC(=O)NC[*:1])c1ccccc1
O=C1C[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)CN1c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C1C[C@@H](CN1c1ccc2OCCOc2c1)NS(=O)(=O)[*:1]
O=C1C[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)CN1c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C1C[C@@H](CN1[*:1])NS(=O)(=O)c1ccc2OCCOc2c1
Cc1cc(Cl)cc(C)c1OCCOCCS SCC[*:1] Cc1cc(Cl)cc(C)c1OCCO[*:1]
Cc1cc(Cl)cc(C)c1OCCOCCS SCCOC[*:1] Cc1cc(Cl)cc(C)c1OC[*:1]
Cc1cc(Cl)cc(C)c1OCCOCCS SCCO[*:1] Cc1cc(Cl)cc(C)c1OCC[*:1]
CCC1(C(=O)NCCO)CCCC1 OCC[*:1] CCC1(CCCC1)C(=O)N[*:1]
O=C(NCCc1ccc[nH]1)c1ccc(C(=O)NC2CC2)cc1 c1c[nH]c(c1)C[*:1] O=C(NC[*:1])c1ccc(cc1)C(=O)NC1CC1
O=C(NCCc1ccc[nH]1)c1ccc(C(=O)NC2CC2)cc1 C1CC1[*:1] O=C(NCCc1ccc[nH]1)c1ccc(cc1)C(=O)N[*:1]
O=C(NCCc1ccc[nH]1)c1ccc(C(=O)NC2CC2)cc1 c1c[nH]c(c1)CC[*:1] O=C(NC1CC1)c1ccc(cc1)C(=O)N[*:1]
O=C(NCCc1ccc[nH]1)c1ccc(C(=O)NC2CC2)cc1 c1c[nH]c(c1)[*:1] O=C(NCC[*:1])c1ccc(cc1)C(=O)NC1CC1
O=C(NCCc1ccc[nH]1)c1ccc(C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] O=C(NCCc1ccc[nH]1)c1ccc(cc1)[*:1]
O=C(CC1CCN(C(=O)NCc2ccc(F)cc2)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(NCc1ccc(F)cc1)N1CCC(CC1)C[*:1]
O=C(CC1CCN(C(=O)NCc2ccc(F)cc2)CC1)N1CCOCC1 Fc1ccc(cc1)C[*:1] O=C(CC1CCN(CC1)C(=O)N[*:1])N1CCOCC1
O=C(CC1CCN(C(=O)NCc2ccc(F)cc2)CC1)N1CCOCC1 Fc1ccc(cc1)[*:1] O=C(CC1CCN(CC1)C(=O)NC[*:1])N1CCOCC1
Cc1nc(C)n(-c2ccc(C(=O)N[C@@H](C)C3CCCCC3)cc2)n1 C[C@@H](C1CCCCC1)[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)N[*:1]
Cc1nc(C)n(-c2ccc(C(=O)N[C@@H](C)C3CCCCC3)cc2)n1 C1CCC(CC1)[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)N[C@@H](C)[*:1]
Cc1nc(C)n(-c2ccc(C(=O)N[C@@H](C)C3CCCCC3)cc2)n1 Cc1nc(C)n(n1)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])C1CCCCC1
C[C@H](CC1CC1)N[C@H](Cc1ccccc1)C(F)(F)F C1CC1C[*:1] C[C@H](N[C@H](Cc1ccccc1)C(F)(F)F)[*:1]
C[C@H](CC1CC1)N[C@H](Cc1ccccc1)C(F)(F)F C1CC1[*:1] C[C@H](C[*:1])N[C@H](Cc1ccccc1)C(F)(F)F
C[C@H](CC1CC1)N[C@H](Cc1ccccc1)C(F)(F)F FC(F)(F)[*:1] C[C@H](CC1CC1)N[C@H](Cc1ccccc1)[*:1]
C[C@H](CC1CC1)N[C@H](Cc1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] C[C@H](CC1CC1)N[C@H](C[*:1])C(F)(F)F
C[C@H](CC1CC1)N[C@H](Cc1ccccc1)C(F)(F)F C[C@H](CC1CC1)[*:1] FC(F)(F)[C@@H](Cc1ccccc1)N[*:1]
COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3Br)n2)c1 COc1cccc(c1)[*:1] O=C([O-])COc1cc(nc(n1)Nc1ccccc1Br)[*:1]
COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3Br)n2)c1 O=C([O-])C[*:1] COc1cccc(c1)-c1cc(nc(n1)Nc1ccccc1Br)O[*:1]
COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3Br)n2)c1 O=C([O-])[*:1] COc1cccc(c1)-c1cc(nc(n1)Nc1ccccc1Br)OC[*:1]
COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3Br)n2)c1 O=C([O-])CO[*:1] COc1cccc(c1)-c1cc(nc(n1)Nc1ccccc1Br)[*:1]
COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3Br)n2)c1 Brc1ccccc1N[*:1] COc1cccc(c1)-c1cc(nc(n1)[*:1])OCC(=O)[O-]
COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3Br)n2)c1 Brc1ccccc1[*:1] COc1cccc(c1)-c1cc(nc(n1)N[*:1])OCC(=O)[O-]
Cc1ccc(Cl)cc1N1CCN(CC(=O)NC2CCCCC2)CC1 Cc1ccc(Cl)cc1[*:1] O=C(CN1CCN(CC1)[*:1])NC1CCCCC1
Cc1ccc(Cl)cc1N1CCN(CC(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)CC(=O)N[*:1]
Cc1cccc(OCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1C FC(F)(F)[*:1] Cc1cccc(OCC(=O)N[C@@H]2CCC[C@H](C2)[*:1])c1C
C=CCNC(=S)NNC(=O)c1cc(F)cc(F)c1 C=CC[*:1] O=C(NNC(=S)N[*:1])c1cc(F)cc(F)c1
Cc1csc(CSc2nnnn2CC[NH+](C)C)n1 Cc1csc(n1)[*:1] C[NH+](C)CCn1nnnc1SC[*:1]
O=C(NC[C@@H](O)c1ccccc1Cl)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NC[C@@H](O)c1ccccc1Cl)[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(cc1)[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 CC(C)C[*:1] Cc1nn(c(C)c1CC(=O)Nc1ccc(cc1)S(N)(=O)=O)[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CC(=O)Nc1ccc(cc1)S(N)(=O)=O
CC(C)(C)n1nc(C(=O)Oc2cccc(S(C)(=O)=O)c2)cc1C1CC1 CC(C)(C)[*:1] CS(=O)(=O)c1cccc(c1)OC(=O)c1cc(C2CC2)n(n1)[*:1]
CC(C)(C)n1nc(C(=O)Oc2cccc(S(C)(=O)=O)c2)cc1C1CC1 C1CC1[*:1] CC(C)(C)n1nc(cc1[*:1])C(=O)Oc1cccc(c1)S(C)(=O)=O
CC(C)(C)n1nc(C(=O)Oc2cccc(S(C)(=O)=O)c2)cc1C1CC1 CS(=O)(=O)[*:1] CC(C)(C)n1nc(cc1C1CC1)C(=O)Oc1cccc(c1)[*:1]
C[C@@H]1CCN(C(=O)c2cccc(C3OCCO3)c2)C[C@@H]1O C1COC(O1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1cccc(c1)[*:1]
O=C(CN1C(=O)S/C(=C\c2ccccn2)C1=O)N1CCOCC1 c1ccc(nc1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)N1CCOCC1
O=C(NCCc1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 c1coc(c1)C[*:1] O=C(NC[*:1])c1ccc(cc1)NS(=O)(=O)c1ccccc1
O=C(NCCc1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 c1coc(c1)[*:1] O=C(NCC[*:1])c1ccc(cc1)NS(=O)(=O)c1ccccc1
O=C(NCCc1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 c1coc(c1)CC[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1ccccc1
O=C(NCCc1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCCc1ccco1)c1ccc(cc1)NS(=O)(=O)[*:1]
O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CN1CCN(C1=O)c1ccc2OCCOc2c1)N[*:1]
COCCNC(=O)c1ccc(N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 COCCNC(=O)[*:1] Clc1ccc(cc1)C[NH+]1CCCN(CC1)c1ccc(cn1)[*:1]
COCCNC(=O)c1ccc(N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 COCC[*:1] O=C(N[*:1])c1ccc(nc1)N1CCC[NH+](CC1)Cc1ccc(Cl)cc1
COCCNC(=O)c1ccc(N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 COC[*:1] O=C(NC[*:1])c1ccc(nc1)N1CCC[NH+](CC1)Cc1ccc(Cl)cc1
COCCNC(=O)c1ccc(N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 Clc1ccc(cc1)[*:1] COCCNC(=O)c1ccc(nc1)N1CCC[NH+](CC1)C[*:1]
COCCNC(=O)c1ccc(N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 Clc1ccc(cc1)C[*:1] COCCNC(=O)c1ccc(nc1)N1CCC[NH+](CC1)[*:1]
Cc1cscc1Cn1c(N)[nH+]c2cc(Br)cnc21 Cc1cscc1[*:1] Nc1[nH+]c2cc(Br)cnc2n1C[*:1]
COCCNC(=O)c1ccc(I)cc1 COC[*:1] O=C(NC[*:1])c1ccc(I)cc1
COCCNC(=O)c1ccc(I)cc1 COCC[*:1] O=C(N[*:1])c1ccc(I)cc1
CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccc(c1)[*:1]
CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)[C@H]1C[C@@H]1[*:1])c1cccc(c1)[N+](=O)[O-]
CC(C)Oc1ccc(CNC(=O)c2ccc([O-])nn2)cc1F CC(C)[*:1] O=C(NCc1ccc(O[*:1])c(F)c1)c1ccc([O-])nn1
CC(C)Oc1ccc(CNC(=O)c2ccc([O-])nn2)cc1F CC(C)O[*:1] O=C(NCc1ccc(c(F)c1)[*:1])c1ccc([O-])nn1
CC[C@]1(C)NC(=O)N(NC(=O)CNc2ccccc2N2CCCCCC2)C1=O C1CCCN(CC1)[*:1] CC[C@]1(C)NC(=O)N(NC(=O)CNc2ccccc2[*:1])C1=O
C#CCOc1ccc(/C=N/NC2=NC(=O)CS2)cc1OC C#CC[*:1] COc1cc(/C=N/NC2=NC(=O)CS2)ccc1O[*:1]
C#CCOc1ccc(/C=N/NC2=NC(=O)CS2)cc1OC C#CCO[*:1] COc1cc(/C=N/NC2=NC(=O)CS2)ccc1[*:1]
CCn1cc(S(=O)(=O)N[C@H](C)COc2ccc(F)cc2F)cn1 CCn1cc(cn1)[*:1] C[C@H](COc1ccc(F)cc1F)NS(=O)(=O)[*:1]
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1ccccc1C Fc1ccc(cc1)C[*:1] CCN(CC(=O)N[*:1])C(=O)Cc1ccccc1C
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1ccccc1C Cc1ccccc1[*:1] CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C[*:1]
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1ccccc1C Fc1ccc(cc1)[*:1] CCN(CC(=O)NC[*:1])C(=O)Cc1ccccc1C
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1ccccc1C Cc1ccccc1C[*:1] CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[*:1]
O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C1C[C@@H](C(=O)N1[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@@H](C(=O)N1C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)N1CC[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1CCc1ccccc1 c1ccc2cc(ccc2c1)[*:1] O=C1C[C@@H](C(=O)N1CCc1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
CN(CC1CC1)C(=O)CSc1nncc2c1[nH]c1ccc(F)cc12 C1CC1C[*:1] CN(C(=O)CSc1nncc2c1[nH]c1ccc(F)cc12)[*:1]
CN(CC1CC1)C(=O)CSc1nncc2c1[nH]c1ccc(F)cc12 CN(CC1CC1)C(=O)[*:1] Fc1ccc2[nH]c3c(nncc3c2c1)SC[*:1]
CN(CC1CC1)C(=O)CSc1nncc2c1[nH]c1ccc(F)cc12 C1CC1[*:1] CN(C[*:1])C(=O)CSc1nncc2c1[nH]c1ccc(F)cc12
CCC(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1 CCC(=O)N[*:1] O=C(NNC(=O)C1CC1)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1 C1CC1[*:1] CCC(=O)Nc1ccc(cc1)C(=O)NNC(=O)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)CCc3ncc(-c4c(F)cccc4F)o3)CC2)c1 Fc1cccc(F)c1[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)CCc1ncc(o1)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)CCc3ncc(-c4c(F)cccc4F)o3)CC2)c1 COc1cccc(c1)[*:1] O=C(CCc1ncc(o1)-c1c(F)cccc1F)N1CCN(CC1)C(=O)[*:1]
NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 NC(=O)N[*:1] Clc1ccc(C[NH+]2CCC(CC2)[*:1])c(Br)c1
C[C@@H](CCNC(=O)NCC(C)(C)c1ccncc1)[S@@](C)=O c1cc(ccn1)[*:1] C[C@@H](CCNC(=O)NCC(C)(C)[*:1])[S@@](C)=O
[NH3+][C@@H](CC[C@H]1CCOC2(CCCCC2)C1)c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@@H](CC[C@H]1CCOC2(CCCCC2)C1)[*:1]
COC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(F)cc3)c2c1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc2nc(C)cc(NC(=O)[*:1])c2c1
COC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(F)cc3)c2c1 COC(=O)[*:1] Cc1cc(NC(=O)c2ccc(F)cc2)c2cc(ccc2n1)[*:1]
CCOCc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1 CCOC[*:1] C[C@@H](CC(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CCOCc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1 CCO[*:1] C[C@@H](CC(=O)Nc1ccc(cc1)C[*:1])c1ccccc1
CCOCc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOCc1ccc(cc1)NC(=O)C[C@H](C)[*:1]
CCO[C@H]1C[C@H](NC(=O)N2CCN(C(=O)c3ccco3)CC2)C12CCCC2 c1coc(c1)[*:1] CCO[C@H]1C[C@H](NC(=O)N2CCN(CC2)C(=O)[*:1])C12CCCC2
CCO[C@H]1C[C@H](NC(=O)N2CCN(C(=O)c3ccco3)CC2)C12CCCC2 CCO[*:1] O=C(N[C@H]1C[C@@H](C12CCCC2)[*:1])N1CCN(CC1)C(=O)c1ccco1
C[C@H](NC(=O)[C@H]1CC[C@@H](C[NH3+])O1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H]1CC[C@@H](C[NH3+])O1)[*:1]
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)c2)C[C@H](C)O1 Fc1ccc(c(F)c1)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C[*:1])N1N=C(C[C@@]1(O)C(F)(F)F)c1ccc(Cl)cc1
O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N1N=C(C[C@]1(O)[*:1])c1ccc(Cl)cc1
O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])N1N=C(C[C@@]1(O)C(F)(F)F)c1ccc(Cl)cc1
O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F Clc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
O=C([O-])[C@@H](F)[C@H](O)c1cccc(Cl)c1 O=C([O-])[*:1] O[C@H](c1cccc(Cl)c1)[C@H](F)[*:1]
COc1cc(OC)c(NC(=O)C(=O)N[C@@H](C)C(C)C)cc1Cl CC(C)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)C(=O)N[C@@H](C)[*:1]
COc1cc(OC)c(NC(=O)C(=O)N[C@@H](C)C(C)C)cc1Cl CC(C)[C@H](C)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)C(=O)N[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 Cc1noc(C)c1[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])n1nnc(n1)-c1ccccc1
Cc1noc(C)c1[C@@H](C)NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[C@H](C)n1nnc(n1)[*:1]
Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(n1)[*:1]
Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2Cl)n1 Cc1cccc(C)c1[*:1] O=C(N[*:1])c1nc(-c2ccccc2)n(n1)-c1ccccc1Cl
Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2Cl)n1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)c1nc(n(n1)-c1ccccc1Cl)[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)CSc1ccc(F)c(F)c1 CS(=O)(=O)C[*:1] C[C@H](NC(=O)CSc1ccc(F)c(F)c1)[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)CSc1ccc(F)c(F)c1 CS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)CSc1ccc(F)c(F)c1
NS(=O)(=O)c1ccc(CNC(=O)CCc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)CC[*:1]
NS(=O)(=O)c1ccc(CNC(=O)CCc2cccc(F)c2)cc1 NS(=O)(=O)[*:1] O=C(CCc1cccc(F)c1)NCc1ccc(cc1)[*:1]
COC(=O)c1ccsc1NC(=O)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] COC(=O)c1ccsc1NC(=O)C(=O)N[*:1]
COC(=O)c1ccsc1NC(=O)C(=O)NC1CCCCCC1 COC(=O)[*:1] O=C(Nc1sccc1[*:1])C(=O)NC1CCCCCC1
Cc1cc(C)n(-c2ccc(C(=O)NCc3cscn3)cc2)n1 c1nc(cs1)C[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N[*:1]
Cc1cc(C)n(-c2ccc(C(=O)NCc3cscn3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCc1cscn1)c1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)NCc3cscn3)cc2)n1 c1nc(cs1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)NC[*:1]
CCCCc1ccc(NC(=O)NCc2n[nH]c(=S)n2C(C)C)cc1 CCCC[*:1] CC(C)n1c(CNC(=O)Nc2ccc(cc2)[*:1])n[nH]c1=S
CCCCc1ccc(NC(=O)NCc2n[nH]c(=S)n2C(C)C)cc1 CC(C)[*:1] CCCCc1ccc(cc1)NC(=O)NCc1n[nH]c(=S)n1[*:1]
CCCCc1ccc(NC(=O)NCc2n[nH]c(=S)n2C(C)C)cc1 CCC[*:1] CC(C)n1c(CNC(=O)Nc2ccc(cc2)C[*:1])n[nH]c1=S
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NNC(=O)Cc1ccccc1F Fc1ccccc1[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccc1)NNC(=O)C[*:1]
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NNC(=O)Cc1ccccc1F Fc1ccccc1C[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccc1)NNC(=O)[*:1]
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NNC(=O)Cc1ccccc1F c1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])NNC(=O)Cc1ccccc1F
O=C(NCCC(=O)N1CC[C@H]2CCCC[C@H]2C1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCC(=O)N1CC[C@H]2CCCC[C@H]2C1)N[*:1]
N#CCOc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 N#CC[*:1] O=C(C[C@H]1C=CCC1)Nc1ccc(cc1)O[*:1]
N#CCOc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 N#CCO[*:1] O=C(C[C@H]1C=CCC1)Nc1ccc(cc1)[*:1]
COc1cccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CCS(=O)(=O)C[*:1]
COc1cccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)CCS(=O)(=O)[*:1]
CCC[NH2+][C@@H](c1cscc1C)c1c(F)cccc1F CCC[*:1] Cc1cscc1[C@H]([NH2+][*:1])c1c(F)cccc1F
CCC[NH2+][C@@H](c1cscc1C)c1c(F)cccc1F Cc1cscc1[*:1] CCC[NH2+][C@@H](c1c(F)cccc1F)[*:1]
CN(C(=O)CO/N=C(/N)C1CCCC1)C1CC1 C1CCC(C1)[*:1] CN(C(=O)CO/N=C(/N)[*:1])C1CC1
CN(C(=O)CO/N=C(/N)C1CCCC1)C1CC1 C1CC1[*:1] CN(C(=O)CO/N=C(/N)C1CCCC1)[*:1]
O=C(N[C@H](c1nnn[n-]1)C1CC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O C1CO[C@H](C1)C[*:1] O=C(N[C@H](c1nnn[n-]1)C1CC1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C(N[C@H](c1nnn[n-]1)C1CC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O C1CC1[*:1] O=C(N[C@H](c1nnn[n-]1)[*:1])c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
O=C(N[C@H](c1nnn[n-]1)C1CC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O C1CO[C@H](C1)[*:1] O=C(N[C@H](c1nnn[n-]1)C1CC1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)C1CC1 O=[N+]([O-])[*:1] O=C(NNC(=O)c1cccc(c1)[*:1])N[C@@H](c1ccccc1)C1CC1
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(NNC(=O)c1cccc(c1)[N+](=O)[O-])N[C@@H](c1ccccc1)[*:1]
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(NNC(=O)c1cccc(c1)[N+](=O)[O-])N[C@@H](C1CC1)[*:1]
CC[C@@H](C)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 CC[C@@H](C)[*:1] C[C@H](CNC(=O)[*:1])Oc1ccc(Cl)cc1
CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)cc1 c1ccc(cc1)C[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2c(F)cc(F)cc2s1)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)cc1 c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2c(F)cc(F)cc2s1
CCOc1ncccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] CCOc1ncccc1C(=O)OCC(=O)N[*:1]
CCOc1ncccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl CCO[*:1] O=C(COC(=O)c1cccnc1[*:1])Nc1c(Cl)cccc1Cl
Cc1ccc(NC2CCN(C(=O)[C@@H](C(C)C)n3cncn3)CC2)n[nH+]1 CC(C)[*:1] Cc1ccc(n[nH+]1)NC1CCN(CC1)C(=O)[C@@H](n1cncn1)[*:1]
Cc1ccc(NC2CCN(C(=O)[C@@H](C(C)C)n3cncn3)CC2)n[nH+]1 c1ncn(n1)[*:1] Cc1ccc(n[nH+]1)NC1CCN(CC1)C(=O)[C@@H](C(C)C)[*:1]
Clc1ccc(COCc2ccc3c(c2)C[NH2+]CCO3)cc1 Clc1ccc(cc1)[*:1] c1cc2OCC[NH2+]Cc2cc1COC[*:1]
CCN(CC)S(=O)(=O)c1ccc(=O)n(CCC(=O)N2CCC[C@H]2C)c1 C[C@@H]1CCCN1C(=O)[*:1] CCN(CC)S(=O)(=O)c1ccc(=O)n(c1)CC[*:1]
CCN(CC)S(=O)(=O)c1ccc(=O)n(CCC(=O)N2CCC[C@H]2C)c1 CCN(CC)S(=O)(=O)[*:1] C[C@@H]1CCCN1C(=O)CCn1cc(ccc1=O)[*:1]
CN1CCO[C@@H](CNC=O)C1 O=CN[*:1] CN1CCO[C@H](C1)C[*:1]
COc1ccccc1-n1ccn2c(S[C@@H](C)C(=O)c3ccc(C)c(C)c3)nnc2c1=O Cc1ccc(cc1C)C(=O)[*:1] COc1ccccc1-n1ccn2c(nnc2c1=O)S[C@@H](C)[*:1]
COc1ccccc1-n1ccn2c(S[C@@H](C)C(=O)c3ccc(C)c(C)c3)nnc2c1=O Cc1ccc(cc1C)[*:1] COc1ccccc1-n1ccn2c(nnc2c1=O)S[C@@H](C)C(=O)[*:1]
COc1ccccc1-n1ccn2c(S[C@@H](C)C(=O)c3ccc(C)c(C)c3)nnc2c1=O COc1ccccc1[*:1] Cc1ccc(cc1C)C(=O)[C@H](C)Sc1nnc2c(=O)n(ccn12)[*:1]
Cc1nc(-c2ccc(F)cc2)sc1C(=O)OC[C@@H]1CCCCO1 C1CC[C@@H](C[*:1])OC1 Cc1nc(sc1C(=O)O[*:1])-c1ccc(F)cc1
Cc1nc(-c2ccc(F)cc2)sc1C(=O)OC[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] Cc1nc(sc1C(=O)OC[*:1])-c1ccc(F)cc1
Cc1nc(-c2ccc(F)cc2)sc1C(=O)OC[C@@H]1CCCCO1 Fc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)OC[C@@H]1CCCCO1)[*:1]
CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nncn1C(C)C c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)[C@@H](C)Sc1nncn1C(C)C
CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nncn1C(C)C CC(C)[*:1] CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nncn1[*:1]
CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nncn1C(C)C c1ccc(cc1)C[*:1] CCN(C(=O)[C@@H](C)Sc1nncn1C(C)C)[*:1]
CCc1noc(C[NH+](C)CC2=Cc3cc(Br)ccc3OC2)n1 CCc1noc(n1)[*:1] C[NH+](CC1=Cc2cc(Br)ccc2OC1)C[*:1]
O=C(C(=O)N1CCN(Cc2ccc(F)cc2)CC1)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(C(=O)N1CCN(CC1)C[*:1])N1CCCC1
CC(=O)N[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1)[*:1]
CC(=O)N[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1)[*:1]
CC(=O)N[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1)C(C)C Fc1ccc(cc1)[*:1] CC(=O)N[C@@H](C(=O)NC[C@@](C)(O)[*:1])C(C)C
C=CCOc1ccccc1C(=O)NN C=CC[*:1] NNC(=O)c1ccccc1O[*:1]
C=CCOc1ccccc1C(=O)NN C=CCO[*:1] NNC(=O)c1ccccc1[*:1]
C=CCOc1ccccc1C(=O)NN NNC(=O)[*:1] C=CCOc1ccccc1[*:1]
Cc1ccc(NC(=O)CNc2ccccc2C(=O)N(C)C)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN(C)C(=O)c1ccccc1NCC(=O)N[*:1]
Cc1ccc(NC(=O)CNc2ccccc2C(=O)N(C)C)c(C)c1 CN(C)C(=O)[*:1] Cc1ccc(NC(=O)CNc2ccccc2[*:1])c(C)c1
CCOC(=O)CC[C@@H](C)NC(=O)c1cc2ccccc2n1C CCOC(=O)C[*:1] C[C@H](C[*:1])NC(=O)c1cc2ccccc2n1C
CCOC(=O)CC[C@@H](C)NC(=O)c1cc2ccccc2n1C CCOC(=O)[*:1] C[C@H](CC[*:1])NC(=O)c1cc2ccccc2n1C
CCOC(=O)CC[C@@H](C)NC(=O)c1cc2ccccc2n1C CCOC(=O)CC[*:1] C[C@@H](NC(=O)c1cc2ccccc2n1C)[*:1]
COCC(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2C=c3ccccc3=[NH+]2)cc1 COC[*:1] O=C(Nc1ccc(cc1)[C@@H]1C=c2ccccc2=[NH+]1)[C@@H]1CCCN1C(=O)[*:1]
Cc1ccc(F)cc1N1C(=O)CS[C@@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(F)cc1N1C(=O)CS[C@@H]1c1ccccc1[*:1]
C[C@H](c1ccc2ccccc2c1)N(C(=O)COc1ccc(C(N)=O)cc1)C1CC1 C1CC1[*:1] C[C@H](c1ccc2ccccc2c1)N(C(=O)COc1ccc(cc1)C(N)=O)[*:1]
C[C@H](c1ccc2ccccc2c1)N(C(=O)COc1ccc(C(N)=O)cc1)C1CC1 NC(=O)[*:1] C[C@H](c1ccc2ccccc2c1)N(C(=O)COc1ccc(cc1)[*:1])C1CC1
C[C@H](c1ccc2ccccc2c1)N(C(=O)COc1ccc(C(N)=O)cc1)C1CC1 NC(=O)c1ccc(cc1)[*:1] C[C@H](c1ccc2ccccc2c1)N(C(=O)CO[*:1])C1CC1
COCCCN(C)C(=O)c1c[nH]c2nccc(Cl)c12 COC[*:1] CN(CC[*:1])C(=O)c1c[nH]c2nccc(Cl)c12
COCCCN(C)C(=O)c1c[nH]c2nccc(Cl)c12 COCCC[*:1] CN(C(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
COCCCN(C)C(=O)c1c[nH]c2nccc(Cl)c12 COCC[*:1] CN(C[*:1])C(=O)c1c[nH]c2nccc(Cl)c12
Cc1ccc2cc(C(=O)N3CCC[C@@H](c4cc(C(F)(F)F)n5ncnc5n4)C3)[nH]c2c1 FC(F)(F)[*:1] Cc1ccc2cc([nH]c2c1)C(=O)N1CCC[C@H](C1)c1cc(n2ncnc2n1)[*:1]
Cc1ccc2cc(C(=O)N3CCC[C@@H](c4cc(C(F)(F)F)n5ncnc5n4)C3)[nH]c2c1 Cc1ccc2cc([nH]c2c1)[*:1] O=C(N1CCC[C@H](C1)c1cc(n2ncnc2n1)C(F)(F)F)[*:1]
COc1ccc(N2/C(=N/C(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)c(OC)c1 C1CCC(CC1)[*:1] COc1ccc(c(c1)OC)N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
Cc1cc(-n2c(C)cc(/C=C/C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(/C=C/C(=O)N(Cc2nnc(o2)-c2ccccc2Cl)C2CC2)c(C)n1[*:1]
Cc1cc(-n2c(C)cc(/C=C/C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2C)no1 Clc1ccccc1[*:1] Cc1cc(no1)-n1c(C)cc(/C=C/C(=O)N(Cc2nnc(o2)[*:1])C2CC2)c1C
Cc1cc(-n2c(C)cc(/C=C/C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2C)no1 C1CC1[*:1] Cc1cc(no1)-n1c(C)cc(/C=C/C(=O)N(Cc2nnc(o2)-c2ccccc2Cl)[*:1])c1C
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)C[C@@H](C)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1cc(ccc1Cl)S(=O)(=O)[N-][*:1]
Cc1ccc(N2CC[C@@H](C[NH2+]C(C)(C)C)C2)c(C)[nH+]1 CC(C)(C)[NH2+]C[*:1] Cc1ccc(c(C)[nH+]1)N1CC[C@@H](C1)[*:1]
Cc1ccc(N2CC[C@@H](C[NH2+]C(C)(C)C)C2)c(C)[nH+]1 CC(C)(C)[*:1] Cc1ccc(c(C)[nH+]1)N1CC[C@@H](C[NH2+][*:1])C1
Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)N1CCN(CC1)C(=O)O[*:1])-n1cnnn1
Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 c1nnnn1[*:1] Cc1ccc(cc1NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
CC(C)[NH2+]C[C@H](C)[C@H](C)N1CCc2ccccc21 CC(C)[*:1] C[C@@H](C[NH2+][*:1])[C@H](C)N1CCc2ccccc21
N#CCN(C[C@H]1CCOC1)C1CCCC1 C1CCC(C1)[*:1] N#CCN(C[C@H]1CCOC1)[*:1]
N#CCN(C[C@H]1CCOC1)C1CCCC1 C1C[C@@H](CO1)[*:1] N#CCN(C[*:1])C1CCCC1
N#CCN(C[C@H]1CCOC1)C1CCCC1 N#CC[*:1] C1CCC(C1)N(C[C@H]1CCOC1)[*:1]
O=C1CN(c2ccc(C(=O)NCCCn3cc(Cl)cn3)cc2)C(=O)N1 Clc1cnn(c1)CC[*:1] O=C1CN(C(=O)N1)c1ccc(cc1)C(=O)NC[*:1]
O=C1CN(c2ccc(C(=O)NCCCn3cc(Cl)cn3)cc2)C(=O)N1 O=C1CN(C(=O)N1)[*:1] O=C(NCCCn1cc(Cl)cn1)c1ccc(cc1)[*:1]
O=C1CN(c2ccc(C(=O)NCCCn3cc(Cl)cn3)cc2)C(=O)N1 Clc1cnn(c1)[*:1] O=C1CN(C(=O)N1)c1ccc(cc1)C(=O)NCCC[*:1]
O=C1CN(c2ccc(C(=O)NCCCn3cc(Cl)cn3)cc2)C(=O)N1 Clc1cnn(c1)C[*:1] O=C1CN(C(=O)N1)c1ccc(cc1)C(=O)NCC[*:1]
COCCN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCCN1C(=O)CN(C[C@]1(C)C(=O)NC[*:1])S(C)(=O)=O
COCCN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COCCN1C(=O)CN(C[C@]1(C)C(=O)N[*:1])S(C)(=O)=O
COCCN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)CNC(=O)[C@@]1(C)CN(CC(=O)N1[*:1])S(C)(=O)=O
COCCN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)CNC(=O)[C@@]1(C)CN(CC(=O)N1C[*:1])S(C)(=O)=O
C[C@@H](NC(=O)NCc1ncn(C)n1)c1ccc(F)cc1Cl Cn1cnc(C[*:1])n1 C[C@@H](NC(=O)N[*:1])c1ccc(F)cc1Cl
C[C@@H](NC(=O)NCc1ncn(C)n1)c1ccc(F)cc1Cl Cn1cnc(n1)[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(F)cc1Cl
CCc1ncc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)s1 c1ccc(cc1)[*:1] CCc1ncc(C[NH2+]Cc2c(C)nn(c2C)[*:1])s1
CCc1ncc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)s1 CCc1ncc(s1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[*:1]
CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccc4c(c3)OCO4)c2n1 CC(C)N[*:1] CSc1nc(c2cnn(CCNC(=O)c3ccc4OCOc4c3)c2n1)[*:1]
CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccc4c(c3)OCO4)c2n1 CC(C)[*:1] CSc1nc(N[*:1])c2cnn(CCNC(=O)c3ccc4OCOc4c3)c2n1
CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccc4c(c3)OCO4)c2n1 c1cc2OCOc2cc1[*:1] CSc1nc(NC(C)C)c2cnn(CCNC(=O)[*:1])c2n1
C[C@H](Nc1ncccn1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](Nc1ncccn1)C(=O)N[*:1]
C[C@H](Nc1ncccn1)C(=O)NCc1ccco1 c1cnc(nc1)[*:1] C[C@H](N[*:1])C(=O)NCc1ccco1
C[C@H](Nc1ncccn1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](Nc1ncccn1)C(=O)NC[*:1]
CCCn1c2ccccc2c2cnn(CC(=O)Nc3ccc(OC)c(OC)c3)c(=O)c21 CCC[*:1] COc1ccc(cc1OC)NC(=O)Cn1ncc2c3ccccc3n(c2c1=O)[*:1]
CCCn1c2ccccc2c2cnn(CC(=O)Nc3ccc(OC)c(OC)c3)c(=O)c21 COc1ccc(cc1OC)[*:1] CCCn1c2ccccc2c2cnn(CC(=O)N[*:1])c(=O)c21
C/[NH+]=C(/NCc1nncn1C)NCC1(c2ccccc2)CCC1 Cn1cnnc1[*:1] C/[NH+]=C(\NCC1(CCC1)c1ccccc1)NC[*:1]
C/[NH+]=C(/NCc1nncn1C)NCC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCc1nncn1C)NCC1(CCC1)[*:1]
C/[NH+]=C(/NCc1nncn1C)NCC1(c2ccccc2)CCC1 Cn1cnnc1C[*:1] C/[NH+]=C(\NCC1(CCC1)c1ccccc1)N[*:1]
CC(C)(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1nccs1 c1csc(n1)[*:1] CC(C)(C)[C@@H]1C[NH2+][C@@H](CN1C[*:1])C1CC1
CC(C)(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1nccs1 c1csc(C[*:1])n1 CC(C)(C)[C@@H]1C[NH2+][C@@H](CN1[*:1])C1CC1
CC(C)(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1nccs1 C1CC1[*:1] CC(C)(C)[C@@H]1C[NH2+][C@H](CN1Cc1nccs1)[*:1]
CC(C)(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1nccs1 CC(C)(C)[*:1] c1csc(CN2C[C@H]([NH2+]C[C@H]2[*:1])C2CC2)n1
CC[C@H](C)NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N CC[C@H](C)NC(=O)[*:1] COc1cc2cc(C#N)c(nc2cc1OC)SC[*:1]
CC[C@H](C)NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N CC[C@H](C)[*:1] COc1cc2cc(C#N)c(nc2cc1OC)SCC(=O)N[*:1]
CC[C@H](C)NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N CC[C@H](C)NC(=O)C[*:1] COc1cc2cc(C#N)c(nc2cc1OC)S[*:1]
COc1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C([O-])C(=O)N2Cc2cccnc2)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2c(C)nn(C)c2C)=C([O-])C(=O)N1[*:1]
COc1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C([O-])C(=O)N2Cc2cccnc2)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1[*:1]
COc1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C([O-])C(=O)N2Cc2cccnc2)cc1 Cc1nn(C)c(C)c1[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1cccnc1
COc1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C([O-])C(=O)N2Cc2cccnc2)cc1 Cc1nn(C)c(C)c1C(=O)[*:1] COc1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1Cc1cccnc1)[*:1]
COc1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C([O-])C(=O)N2Cc2cccnc2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2c(C)nn(C)c2C)=C([O-])C(=O)N1C[*:1]
O=C1NC2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)N=C1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1NC2(CCN(CC2)S(=O)(=O)c2ccc(F)c(Cl)c2)N=C1[*:1]
O=C1NC2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)N=C1c1ccc(F)cc1 Fc1ccc(cc1Cl)[*:1] O=C1NC2(CCN(CC2)S(=O)(=O)[*:1])N=C1c1ccc(F)cc1
O=C1C(=O)N(CC2CCC2)c2ccc(C(F)(F)F)cc21 FC(F)(F)[*:1] O=C1C(=O)N(CC2CCC2)c2ccc(cc21)[*:1]
O=C1C(=O)N(CC2CCC2)c2ccc(C(F)(F)F)cc21 C1CC(C1)[*:1] O=C1C(=O)N(C[*:1])c2ccc(cc21)C(F)(F)F
O=C1C(=O)N(CC2CCC2)c2ccc(C(F)(F)F)cc21 C1CC(C1)C[*:1] O=C1C(=O)N(c2ccc(cc21)C(F)(F)F)[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1C CC(C)C[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)N(C2CC[NH+](C)CC2)[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c(C)c1[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1C CC(C)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)N(C[*:1])C2CC[NH+](C)CC2)c1C
S=C(NCc1cccs1)NC1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] S=C(NCc1cccs1)NC1CCC(CC1)[*:1]
S=C(NCc1cccs1)NC1CCC(c2ccccc2)CC1 c1csc(c1)[*:1] S=C(NC[*:1])NC1CCC(CC1)c1ccccc1
S=C(NCc1cccs1)NC1CCC(c2ccccc2)CC1 c1csc(c1)C[*:1] S=C(NC1CCC(CC1)c1ccccc1)N[*:1]
Cc1ncsc1[C@H]1Nc2cc(Cl)ccc2C(=O)N1C Cc1ncsc1[*:1] CN1C(=O)c2ccc(Cl)cc2N[C@@H]1[*:1]
Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCc3ccccc3C2)cc1F Cc1ccc(cc1F)[*:1] O=C(NCCC[NH+]1CCc2ccccc2C1)C(=O)N[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F FC(F)[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cc(C#N)ccc1O[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F FC(F)O[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cc(C#N)ccc1[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F N#Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1cc(C#N)ccc1OC(F)F
CC(=O)Nc1cc(-c2nc(-c3ccncc3)no2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])-c1nc(no1)-c1ccncc1
CC(=O)Nc1cc(-c2nc(-c3ccncc3)no2)ccc1C c1cc(ccn1)[*:1] CC(=O)Nc1cc(ccc1C)-c1nc(no1)[*:1]
COC(=O)Cc1csc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)n1 Cc1cc(Cl)ccc1[*:1] COC(=O)Cc1csc(n1)NC(=O)[C@H](C)O[*:1]
COC(=O)Cc1csc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)n1 COC(=O)[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nc(cs1)C[*:1]
COC(=O)Cc1csc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)n1 COC(=O)C[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nc(cs1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=C1\Cc2c(O)cccc2C1=O c1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=C1\Cc2c(O)cccc2C1=O)[*:1]
CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 Cc1cc(C)cc(c1)[*:1] CC[C@@H]1CCCCN1c1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
CC(C)[NH+]1CCCN(Cn2nc(-c3cccs3)oc2=O)CC1 c1csc(c1)[*:1] CC(C)[NH+]1CCCN(CC1)Cn1nc(oc1=O)[*:1]
CC(C)[NH+]1CCCN(Cn2nc(-c3cccs3)oc2=O)CC1 CC(C)[*:1] O=c1oc(nn1CN1CCC[NH+](CC1)[*:1])-c1cccs1
COC(=O)C(C)(C)CN(C)C[C@H](C)C#N COC(=O)[*:1] C[C@H](C#N)CN(C)CC(C)(C)[*:1]
COC(=O)C(C)(C)CN(C)C[C@H](C)C#N C[C@H](C#N)[*:1] COC(=O)C(C)(C)CN(C)C[*:1]
COC(=O)C(C)(C)CN(C)C[C@H](C)C#N C[C@H](C#N)C[*:1] COC(=O)C(C)(C)CN(C)[*:1]
COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 COc1ccccc1[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Br)cc1)[*:1]
COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cccc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 Cc1cccc(c1)[*:1] CN(Cc1ccccc1)c1ncc(cc1C(=O)[O-])NS(=O)(=O)[*:1]
Cc1cccc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] Cc1cccc(c1)S(=O)(=O)Nc1cnc(c(c1)[*:1])N(C)Cc1ccccc1
Cc1cccc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)Nc1cnc(c(c1)C(=O)[O-])N(C)C[*:1]
Cc1cccc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 CN(Cc1ccccc1)[*:1] Cc1cccc(c1)S(=O)(=O)Nc1cnc(c(c1)C(=O)[O-])[*:1]
Cc1cccc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)S(=O)(=O)Nc1cnc(c(c1)C(=O)[O-])N(C)[*:1]
CCC[NH2+][C@H](C(OC)OC)[C@H]1CCOC2(CCOCC2)C1 CCC[*:1] COC(OC)[C@@H]([NH2+][*:1])[C@H]1CCOC2(CCOCC2)C1
CCC[NH2+][C@H](C(OC)OC)[C@H]1CCOC2(CCOCC2)C1 COC(OC)[*:1] CCC[NH2+][C@H]([C@H]1CCOC2(CCOCC2)C1)[*:1]
CCc1ncc(C[NH+](C)Cc2cnc(C3CCCC3)s2)s1 CCc1ncc(s1)[*:1] C[NH+](Cc1cnc(s1)C1CCCC1)C[*:1]
CCc1ncc(C[NH+](C)Cc2cnc(C3CCCC3)s2)s1 C1CCC(C1)[*:1] CCc1ncc(C[NH+](C)Cc2cnc(s2)[*:1])s1
Cc1cc(NC(=O)N(C)C[C@@H](O)C2CC2)ccc1Br C1CC1[*:1] Cc1cc(ccc1Br)NC(=O)N(C)C[C@@H](O)[*:1]
C[S@@](=O)c1ccc(CN(C[C@H](O)c2ccccc2)C2CC2)cc1 C1CC1[*:1] C[S@@](=O)c1ccc(cc1)CN(C[C@H](O)c1ccccc1)[*:1]
C[S@@](=O)c1ccc(CN(C[C@H](O)c2ccccc2)C2CC2)cc1 c1ccc(cc1)[*:1] C[S@@](=O)c1ccc(cc1)CN(C[C@H](O)[*:1])C1CC1
C[S@@](=O)c1ccc(CN(C[C@H](O)c2ccccc2)C2CC2)cc1 C[S@@](=O)[*:1] O[C@@H](CN(Cc1ccc(cc1)[*:1])C1CC1)c1ccccc1
COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccccc3Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1ccccc1Cl)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccccc3Cl)cc2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)C[*:1]
COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccccc3Cl)cc2)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1csc2nc(C[S@@](=O)CCOC(C)C)cc(=O)n12 CC(C)O[*:1] Cc1csc2nc(cc(=O)n12)C[S@@](=O)CC[*:1]
Cc1csc2nc(C[S@@](=O)CCOC(C)C)cc(=O)n12 CC(C)OCC[*:1] Cc1csc2nc(cc(=O)n12)C[S@@](=O)[*:1]
Cc1csc2nc(C[S@@](=O)CCOC(C)C)cc(=O)n12 CC(C)OC[*:1] Cc1csc2nc(cc(=O)n12)C[S@@](=O)C[*:1]
Cc1csc2nc(C[S@@](=O)CCOC(C)C)cc(=O)n12 CC(C)[*:1] Cc1csc2nc(cc(=O)n12)C[S@@](=O)CCO[*:1]
C/C=C(/C)C(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 CC=C(C)[*:1] O=C(N[C@@H]1CCC[C@H]1c1ccc(F)cc1)[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCC[C@@H]1C(=O)OCCF FCC[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)[C@H]1CCCC[C@@H]1C(=O)O[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCC[C@@H]1C(=O)OCCF FC(F)(F)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])[C@H]1CCCC[C@@H]1C(=O)OCCF
O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCC[C@@H]1C(=O)OCCF O=C(OCCF)[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)[C@H]1CCCC[C@H]1[*:1]
CCOC(=O)N1CCC(NC(=O)c2cc(-c3cccc(F)c3)no2)CC1 Fc1cccc(c1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)c1cc(no1)[*:1]
COc1cccc(-c2cc(CC(=O)Nc3ccc(F)cc3F)no2)c1 COc1cccc(c1)[*:1] O=C(Cc1cc(on1)[*:1])Nc1ccc(F)cc1F
COc1cccc(-c2cc(CC(=O)Nc3ccc(F)cc3F)no2)c1 Fc1ccc(c(F)c1)[*:1] COc1cccc(c1)-c1cc(CC(=O)N[*:1])no1
Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C3=C2C(=O)OC3)cc1 Cc1cc(C)c(c(C)c1)[*:1] Cc1ccc(cc1)[C@@H]1NC(=O)N(CC(=O)N[*:1])C2COC(=O)C=21
Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C3=C2C(=O)OC3)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CN2C(=O)N[C@H](C3C(=O)OCC=32)[*:1])c(C)c1
COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccnn1C CC(C)C[*:1] COc1ccccc1[C@H]([NH2+]Cc1ccnn1C)[*:1]
COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccnn1C Cn1nccc1[*:1] COc1ccccc1[C@H](CC(C)C)[NH2+]C[*:1]
COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccnn1C Cn1nccc1C[*:1] COc1ccccc1[C@H](CC(C)C)[NH2+][*:1]
COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccnn1C CC(C)[*:1] COc1ccccc1[C@H](C[*:1])[NH2+]Cc1ccnn1C
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Oc1ccc(-n2cnnn2)cc1 Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)Oc1ccc(cc1)-n1cnnn1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Oc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Oc1ccc(cc1)[*:1]
COc1ccc2c(c1)[C@H]([NH3+])[C@@H](SCC1CCCC1)CC2 C1CCC(C1)C[*:1] COc1ccc2CC[C@H](S[*:1])[C@@H]([NH3+])c2c1
COc1ccc2c(c1)[C@H]([NH3+])[C@@H](SCC1CCCC1)CC2 C1CCC(C1)[*:1] COc1ccc2CC[C@H](SC[*:1])[C@@H]([NH3+])c2c1
C=CCOc1ccccc1CN1C(=O)[C@](O)(CC(C)=O)c2cc(C)cc(C)c21 CC(=O)C[*:1] C=CCOc1ccccc1CN1C(=O)[C@](O)(c2cc(C)cc(C)c21)[*:1]
C=CCOc1ccccc1CN1C(=O)[C@](O)(CC(C)=O)c2cc(C)cc(C)c21 CC(=O)[*:1] C=CCOc1ccccc1CN1C(=O)[C@](O)(C[*:1])c2cc(C)cc(C)c21
C=CCOc1ccccc1CN1C(=O)[C@](O)(CC(C)=O)c2cc(C)cc(C)c21 C=CC[*:1] CC(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2O[*:1])c2c(C)cc(C)cc21
C=CCOc1ccccc1CN1C(=O)[C@](O)(CC(C)=O)c2cc(C)cc(C)c21 C=CCO[*:1] CC(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2[*:1])c2c(C)cc(C)cc21
O=C1O[C@H](C(=O)Nc2ccccc2)Cc2ccccc21 c1ccc(cc1)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)N[*:1]
Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[C@]([NH3+])(C(=O)[O-])C2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)O[C@@H]1CCC[C@@]([NH3+])(C1)C(=O)[O-])[*:1]
C[C@H]1OCC[C@@H]1C(=O)NCc1nc(-c2ccco2)n[nH]1 c1coc(c1)[*:1] C[C@H]1OCC[C@@H]1C(=O)NCc1nc(n[nH]1)[*:1]
Cc1cc(C)cc(CS(=O)(=O)CC(=O)Nc2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1cc(C)cc(c1)CS(=O)(=O)CC(=O)N[*:1]
O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C1C[C@@H](CN1c1ccccc1)NC(=O)[*:1]
O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(Br)c1 c1ccc(cc1)[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])c1cccc(Br)c1
COC(=O)c1c(NC(=O)CSc2nccn2C)sc2c1CCCC2 COC(=O)[*:1] Cn1ccnc1SCC(=O)Nc1sc2CCCCc2c1[*:1]
COC(=O)c1c(NC(=O)CSc2nccn2C)sc2c1CCCC2 Cn1ccnc1SC[*:1] COC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
COC(=O)c1c(NC(=O)CSc2nccn2C)sc2c1CCCC2 Cn1ccnc1S[*:1] COC(=O)c1c(NC(=O)C[*:1])sc2CCCCc21
COC(=O)c1c(NC(=O)CSc2nccn2C)sc2c1CCCC2 Cn1ccnc1[*:1] COC(=O)c1c(NC(=O)CS[*:1])sc2CCCCc21
C[C@@H]1C[C@H]1c1ccc(/C=N/O)o1 ON=C[*:1] C[C@@H]1C[C@H]1c1ccc(o1)[*:1]
C[C@@H]1C[C@H]1c1ccc(/C=N/O)o1 C[C@@H]1C[C@@H]1[*:1] O/N=C/c1ccc(o1)[*:1]
C[C@H]1CCc2c(sc(NC(=O)Cc3ccon3)c2C#N)C1 c1cc(no1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)C[*:1])c2C#N
C[C@H]1CCc2c(sc(NC(=O)Cc3ccon3)c2C#N)C1 c1cc(C[*:1])no1 C[C@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
CC(C)(C)NC(=O)C[C@H](C#N)Nc1cccc(Br)c1 CC(C)(C)[*:1] N#C[C@@H](CC(=O)N[*:1])Nc1cccc(Br)c1
O=C1c2ccccc2N[C@H](c2ccc(-n3cnc4ccccc43)cc2)N1C[C@@H]1CCCO1 c1ccc2c(c1)ncn2[*:1] O=C1c2ccccc2N[C@H](c2ccc(cc2)[*:1])N1C[C@@H]1CCCO1
CC(C)(C)[C@@H](C#N)NC(=O)CCn1c(=S)[nH]c2ccccc2c1=O CC(C)(C)[*:1] N#C[C@@H](NC(=O)CCn1c(=S)[nH]c2ccccc2c1=O)[*:1]
CS(=O)(=O)CCc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1 CS(=O)(=O)CC[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCc2cc(F)ccc2C1
CS(=O)(=O)CCc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1 CS(=O)(=O)C[*:1] O=C(Nc1ccc(cc1)C[*:1])N1CCc2cc(F)ccc2C1
CS(=O)(=O)CCc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)CC[*:1])N1CCc2cc(F)ccc2C1
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 C1CN(CCO1)[*:1] Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccc([nH+]c1)[*:1]
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 Cc1cc(Cl)ccc1O[*:1] C[C@H](C(=O)NCc1ccc([nH+]c1)N1CCOCC1)[*:1]
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 Cc1cc(Cl)ccc1[*:1] C[C@@H](O[*:1])C(=O)NCc1ccc([nH+]c1)N1CCOCC1
Cc1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cccc1[N+](=O)[O-] Fc1ccc(c(Cl)c1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)[C@@H](C)O[*:1]
Cc1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl
CC[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)C(N)=O CC(C)[*:1] CC[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1C[*:1])C(N)=O
CC[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)C(N)=O CC(C)C[*:1] CC[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1[*:1])C(N)=O
CC[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)C(N)=O NC(=O)[*:1] CC[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)[*:1]
CC[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1CC(C)C)C(N)=O CC[C@@H](S[*:1])C(N)=O CC(C)Cn1c(nc2ccc(Cl)cc2c1=O)[*:1]
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2ccncn2)C1 O=[N+]([O-])[*:1] NC(=O)c1cc(cnc1N1CCC[C@@H](C1)c1ccncn1)[*:1]
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2ccncn2)C1 NC(=O)[*:1] O=[N+]([O-])c1cnc(c(c1)[*:1])N1CCC[C@@H](C1)c1ccncn1
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2ccncn2)C1 c1cc(ncn1)[*:1] NC(=O)c1cc(cnc1N1CCC[C@H](C1)[*:1])[N+](=O)[O-]
CC(C)NC(=O)CN1CCN(C(=O)Nc2ccnn2C(C)C)CC1 CC(C)[*:1] CC(C)n1nccc1NC(=O)N1CCN(CC1)CC(=O)N[*:1]
CC(C)NC(=O)CN1CCN(C(=O)Nc2ccnn2C(C)C)CC1 CC(C)n1nccc1[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)N[*:1]
CC(C)NC(=O)CN1CCN(C(=O)Nc2ccnn2C(C)C)CC1 CC(C)NC(=O)[*:1] CC(C)n1nccc1NC(=O)N1CCN(CC1)C[*:1]
CC(C)NC(=O)CN1CCN(C(=O)Nc2ccnn2C(C)C)CC1 CC(C)NC(=O)C[*:1] CC(C)n1nccc1NC(=O)N1CCN(CC1)[*:1]
CC(C)NC(=O)CN1CCN(C(=O)Nc2ccnn2C(C)C)CC1 CC(C)[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)Nc1ccnn1[*:1]
CN(C)c1cc[nH+]c(NC[C@H](Cc2cnn(C)c2)C(N)=O)n1 Cn1cc(cn1)[*:1] CN(C)c1cc[nH+]c(n1)NC[C@H](C[*:1])C(N)=O
CN(C)c1cc[nH+]c(NC[C@H](Cc2cnn(C)c2)C(N)=O)n1 CN(C)[*:1] Cn1cc(cn1)C[C@@H](CNc1nc(cc[nH+]1)[*:1])C(N)=O
CN(C)c1cc[nH+]c(NC[C@H](Cc2cnn(C)c2)C(N)=O)n1 NC(=O)[*:1] CN(C)c1cc[nH+]c(n1)NC[C@H](Cc1cnn(C)c1)[*:1]
CN(C)c1cc[nH+]c(NC[C@H](Cc2cnn(C)c2)C(N)=O)n1 Cn1cc(cn1)C[*:1] CN(C)c1cc[nH+]c(n1)NC[C@H](C(N)=O)[*:1]
Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)s1 CC(C)(C)[*:1] Cc1ncc(s1)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)O[*:1]
Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)s1 Cc1ncc(s1)[*:1] C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)[*:1]
COC(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1 COC(=O)CO[*:1] COC(=O)Cc1c(C)c2ccc(cc2oc1=O)[*:1]
COC(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1 COC(=O)[*:1] COC(=O)Cc1c(C)c2ccc(cc2oc1=O)OC[*:1]
COC(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1 COC(=O)C[*:1] COC(=O)COc1ccc2c(C)c(c(=O)oc2c1)[*:1]
COC(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1 COC(=O)[*:1] COC(=O)COc1ccc2c(C)c(C[*:1])c(=O)oc2c1
COC(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1 COC(=O)C[*:1] COC(=O)Cc1c(C)c2ccc(cc2oc1=O)O[*:1]
COc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc(OC)c1OC O=C(N1CCCCC1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1[*:1]
O=C1N(Cc2ccccc2Cl)c2ccccc2[C@@]1(O)Cc1ccncc1 c1cc(ccn1)[*:1] O=C1N(Cc2ccccc2Cl)c2ccccc2[C@@]1(O)C[*:1]
O=C1N(Cc2ccccc2Cl)c2ccccc2[C@@]1(O)Cc1ccncc1 Clc1ccccc1[*:1] O=C1N(C[*:1])c2ccccc2[C@@]1(O)Cc1ccncc1
O=C1N(Cc2ccccc2Cl)c2ccccc2[C@@]1(O)Cc1ccncc1 Clc1ccccc1C[*:1] O=C1N(c2ccccc2[C@@]1(O)Cc1ccncc1)[*:1]
O=C1N(Cc2ccccc2Cl)c2ccccc2[C@@]1(O)Cc1ccncc1 c1cc(ccn1)C[*:1] O=C1N(Cc2ccccc2Cl)c2ccccc2[C@]1(O)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)CCc2ccc(-c3ccccc3)o2)n1 c1ccc(cc1)[*:1] CC(C)c1csc(n1)[C@H](C#N)C(=O)CCc1ccc(o1)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)CCc2ccc(-c3ccccc3)o2)n1 CC(C)c1csc(n1)[*:1] N#C[C@H](C(=O)CCc1ccc(o1)-c1ccccc1)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)CCc2ccc(-c3ccccc3)o2)n1 CC(C)[*:1] N#C[C@H](C(=O)CCc1ccc(o1)-c1ccccc1)c1nc(cs1)[*:1]
Cc1ccc(NC(=O)C2=CN(C)[C@@H]3C(=O)N(c4ccccc4)C(=O)N=C23)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C2=CN(C)[C@@H]3C(=O)N(C(=O)N=C23)[*:1])c(C)c1
Cc1ccc(NC(=O)C2=CN(C)[C@@H]3C(=O)N(c4ccccc4)C(=O)N=C23)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN1C=C(C(=O)N[*:1])C2=NC(=O)N(C(=O)[C@H]21)c1ccccc1
Cc1ccc(C)c(CSc2nnc(C3CCOCC3)n2N)c1 C1CC(CCO1)[*:1] Cc1ccc(C)c(c1)CSc1nnc(n1N)[*:1]
Cc1cc(C)n(-c2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cn2)n1 Cc1cc(C)n(n1)[*:1] O=c1[nH]c2ccccc2c(=O)n1Cc1ccc(nc1)[*:1]
COc1ccccc1C(=O)CCCC#N N#CCC[*:1] COc1ccccc1C(=O)C[*:1]
COc1ccccc1C(=O)CCCC#N N#CC[*:1] COc1ccccc1C(=O)CC[*:1]
COc1ccccc1C(=O)CCCC#N N#CCCC[*:1] COc1ccccc1C(=O)[*:1]
CCCCc1nnc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CCCCc1nnc(NC(=O)C(=O)N[C@@H](C)[*:1])s1
CCCCc1nnc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)s1 CCC[*:1] C[C@H](NC(=O)C(=O)Nc1nnc(C[*:1])s1)[C@@H]1CCCO1
CCCCc1nnc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)s1 CCCC[*:1] C[C@H](NC(=O)C(=O)Nc1nnc(s1)[*:1])[C@@H]1CCCO1
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 c1ccc(cc1)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)N[C@@H](C1CCCC1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 CS(=O)(=O)[*:1] O=C(N[C@@H]1CCC[C@@H](C1)[*:1])N[C@@H](c1ccccc1)C1CCCC1
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 C1CCC(C1)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)N[C@@H](c1ccccc1)[*:1]
C[C@H](C(=O)NCCCn1ncccc1=O)n1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] C[C@H](C(=O)NCCCn1ncccc1=O)n1nc(ccc1=O)[*:1]
C[C@H](C(=O)NCCCn1ncccc1=O)n1nc(-c2ccccc2)ccc1=O O=c1cccnn1CC[*:1] C[C@H](C(=O)NC[*:1])n1nc(ccc1=O)-c1ccccc1
C[C@H](C(=O)NCCCn1ncccc1=O)n1nc(-c2ccccc2)ccc1=O O=c1cccnn1C[*:1] C[C@H](C(=O)NCC[*:1])n1nc(ccc1=O)-c1ccccc1
C[C@H](C(=O)NCCCn1ncccc1=O)n1nc(-c2ccccc2)ccc1=O O=c1cccnn1[*:1] C[C@H](C(=O)NCCC[*:1])n1nc(ccc1=O)-c1ccccc1
CC[C@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O c1ccc(cc1)C[*:1] CC[C@H]1S/C(=C(\C#N)C(=O)NC[*:1])N(C1=O)c1ccc(F)cc1
CC[C@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O c1ccc(cc1)CC[*:1] CC[C@H]1S/C(=C(\C#N)C(=O)N[*:1])N(C1=O)c1ccc(F)cc1
CC[C@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] CC[C@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(C1=O)[*:1]
CC[C@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O c1ccc(cc1)[*:1] CC[C@H]1S/C(=C(\C#N)C(=O)NCC[*:1])N(C1=O)c1ccc(F)cc1
Cc1cc(C)c(C(N)=S)c(N(C)CCS(C)(=O)=O)[nH+]1 CS(=O)(=O)C[*:1] Cc1cc(C)c(C(N)=S)c([nH+]1)N(C)C[*:1]
Cc1cc(C)c(C(N)=S)c(N(C)CCS(C)(=O)=O)[nH+]1 CS(=O)(=O)CC[*:1] Cc1cc(C)c(C(N)=S)c([nH+]1)N(C)[*:1]
Cc1cc(C)c(C(N)=S)c(N(C)CCS(C)(=O)=O)[nH+]1 NC(=S)[*:1] Cc1cc(C)c(c([nH+]1)N(C)CCS(C)(=O)=O)[*:1]
Cc1cc(C)c(C(N)=S)c(N(C)CCS(C)(=O)=O)[nH+]1 CS(=O)(=O)[*:1] Cc1cc(C)c(C(N)=S)c([nH+]1)N(C)CC[*:1]
Cc1ccc(CCN(C[C@H]2CCCO2)CN2C(=O)[C@H]3CC[C@@H]2C3)cc1 C1CO[C@H](C1)C[*:1] Cc1ccc(cc1)CCN(CN1C(=O)[C@H]2CC[C@@H]1C2)[*:1]
Cc1ccc(CCN(C[C@H]2CCCO2)CN2C(=O)[C@H]3CC[C@@H]2C3)cc1 Cc1ccc(cc1)C[*:1] O=C1[C@H]2CC[C@H](C2)N1CN(C[C@H]1CCCO1)C[*:1]
Cc1ccc(CCN(C[C@H]2CCCO2)CN2C(=O)[C@H]3CC[C@@H]2C3)cc1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1)CCN(CN1C(=O)[C@H]2CC[C@@H]1C2)C[*:1]
Cc1ccc(CCN(C[C@H]2CCCO2)CN2C(=O)[C@H]3CC[C@@H]2C3)cc1 Cc1ccc(cc1)[*:1] O=C1[C@H]2CC[C@H](C2)N1CN(CC[*:1])C[C@H]1CCCO1
O=C1/C(=C/c2cc(Br)cc3c2OCOC3)Oc2cc(OC(=O)C3CC3)ccc21 C1CC1[*:1] O=C1/C(=C/c2cc(Br)cc3COCOc23)Oc2cc(ccc21)OC(=O)[*:1]
O=C1/C(=C/c2cc(Br)cc3c2OCOC3)Oc2cc(OC(=O)C3CC3)ccc21 O=C(O[*:1])C1CC1 O=C1/C(=C/c2cc(Br)cc3COCOc23)Oc2cc(ccc21)[*:1]
O=c1oc2ccccc2n1CCNc1cccc(C#Cc2cccs2)c1 C(#C[*:1])c1cccs1 O=c1oc2ccccc2n1CCNc1cccc(c1)[*:1]
O=c1oc2ccccc2n1CCNc1cccc(C#Cc2cccs2)c1 c1csc(c1)[*:1] O=c1oc2ccccc2n1CCNc1cccc(C#C[*:1])c1
COc1ccc(O)c(/C=N/c2ccc(CC#N)cc2)c1 N#CC[*:1] COc1ccc(O)c(/C=N/c2ccc(cc2)[*:1])c1
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H](C)[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)c2cc([N+](=O)[O-])ccc2C)o1 O=[N+]([O-])[*:1] Cc1ccc(o1)[C@@H]1CSCCN1C(=O)c1cc(ccc1C)[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)c2cc([N+](=O)[O-])ccc2C)o1 Cc1ccc(o1)[*:1] Cc1ccc(cc1C(=O)N1CCSC[C@H]1[*:1])[N+](=O)[O-]
CCN(CC)C(=O)c1sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c2c1C CCN(CC)C(=O)[*:1] Cc1c(sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12)[*:1]
Cc1ccc(C)c(Sc2ccc(NC(=O)c3ccc([O-])nn3)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Nc1ccc(cc1)S[*:1])c1ccc([O-])nn1
Cc1nn(C)c(C)c1-c1ccnc(N(C)Cc2ccoc2)n1 c1cc(co1)C[*:1] Cc1nn(C)c(C)c1-c1ccnc(n1)N(C)[*:1]
Cc1nn(C)c(C)c1-c1ccnc(N(C)Cc2ccoc2)n1 c1cc(co1)[*:1] Cc1nn(C)c(C)c1-c1ccnc(n1)N(C)C[*:1]
COCCNC(=O)c1cccnc1SC COCC[*:1] CSc1ncccc1C(=O)N[*:1]
COCCNC(=O)c1cccnc1SC COC[*:1] CSc1ncccc1C(=O)NC[*:1]
Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccnn2C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[*:1]
Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccnn2C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)O[C@@H](C)C(=O)Nc1ccnn1[*:1]
Cc1cc([C@H]([NH2+]C2CC2)c2nc(C)c(C)s2)ccc1Br C1CC1[*:1] Cc1cc(ccc1Br)[C@H]([NH2+][*:1])c1nc(C)c(C)s1
CCOC(=O)c1csc(-c2ccccc2Cl)n1 CCOC(=O)[*:1] Clc1ccccc1-c1nc(cs1)[*:1]
Cn1cc(NC(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)cn1 C1CCC(CC1)[*:1] Cn1cc(cn1)NC(=O)c1cc(NC(=O)[*:1])n(C)n1
Cn1cc(NC(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)cn1 Cn1cc(cn1)[*:1] Cn1nc(cc1NC(=O)C1CCCCC1)C(=O)N[*:1]
Cc1ccccc1N[C@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] Cc1ccccc1N[C@H](c1ccccc1)[*:1]
Cc1ccccc1N[C@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1N[C@H](C(=O)[O-])[*:1]
O=C(Cc1cn2ccsc2n1)NC[C@H]1C[C@@]12CCc1ccccc12 c1cn2cc(nc2s1)[*:1] O=C(C[*:1])NC[C@H]1C[C@@]12CCc1ccccc12
Cc1ccc(C)c(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cn1ncc2ccccc21)N1CCN(CC1)[*:1]
CCc1c(C)nc(SCC(=O)Nc2oncc2-c2ccc(C)cc2)[nH]c1=O Cc1ccc(cc1)[*:1] CCc1c(C)nc([nH]c1=O)SCC(=O)Nc1oncc1[*:1]
COc1ccccc1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 C1CCCC(CCC1)[*:1] COc1ccccc1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2[*:1]
COc1ccccc1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 COc1ccccc1[*:1] O=c1[nH]n(c2N=C(O)C[C@@H](c21)[*:1])C1CCCCCCC1
CCCOCCO[C@H]1CC[C@@]([NH3+])(C(=O)[O-])C1 O=C([O-])[*:1] CCCOCCO[C@H]1CC[C@@]([NH3+])(C1)[*:1]
CCCOCCO[C@H]1CC[C@@]([NH3+])(C(=O)[O-])C1 CCCO[*:1] [NH3+][C@]1(CC[C@@H](C1)OCC[*:1])C(=O)[O-]
CCCOCCO[C@H]1CC[C@@]([NH3+])(C(=O)[O-])C1 CCC[*:1] [NH3+][C@]1(CC[C@@H](C1)OCCO[*:1])C(=O)[O-]
CCCOCCO[C@H]1CC[C@@]([NH3+])(C(=O)[O-])C1 CCCOC[*:1] [NH3+][C@]1(CC[C@@H](C1)OC[*:1])C(=O)[O-]
CN(c1ccccc1)c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 c1ccc(cc1)[*:1] CN(c1cc2NC(=O)[C@H](O)c2cc1Cl)[*:1]
C[NH2+][C@H](c1ccc(Br)cc1C)[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] C[NH2+][C@H](c1ccc(Br)cc1C)[C@H](C)[*:1]
CONC(=O)C1(c2ccccc2Cl)CCOCC1 CONC(=O)[*:1] Clc1ccccc1C1(CCOCC1)[*:1]
CCOC(=O)c1c(CN2CCc3ccccc3[C@H]2CO)nc2ccccc2c1C CCOC(=O)[*:1] Cc1c(c(CN2CCc3ccccc3[C@H]2CO)nc2ccccc12)[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccc(I)cc1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(I)cc1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccc(I)cc1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(I)cc1)C[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccc(I)cc1)Cc1ccccc1 Ic1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])Cc1ccccc1
O=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(CSc1ccc(nn1)NC(=O)c1ccco1)Nc1ccc(cc1)[*:1]
O=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CSc1ccc(nn1)NC(=O)c1ccco1)N[*:1]
O=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc([N+](=O)[O-])cc1 O=C(N[*:1])c1ccco1 O=C(CSc1ccc(nn1)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
O=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc([N+](=O)[O-])cc1 c1coc(c1)[*:1] O=C(CSc1ccc(nn1)NC(=O)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccsc2)cc1 c1cc(cs1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccsc2)cc1 CN(C)S(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccsc1
COc1cc(CNC(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)ccn1 COc1cc(ccn1)[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NC[*:1]
CN(C)CC[NH2+][C@@H](C(=O)[O-])c1cccc(C2CC2)c1 O=C([O-])[*:1] CN(C)CC[NH2+][C@@H](c1cccc(c1)C1CC1)[*:1]
CN(C)CC[NH2+][C@@H](C(=O)[O-])c1cccc(C2CC2)c1 CN(C)C[*:1] O=C([O-])[C@H]([NH2+]C[*:1])c1cccc(c1)C1CC1
CN(C)CC[NH2+][C@@H](C(=O)[O-])c1cccc(C2CC2)c1 C1CC1[*:1] CN(C)CC[NH2+][C@@H](C(=O)[O-])c1cccc(c1)[*:1]
CN(C)CC[NH2+][C@@H](C(=O)[O-])c1cccc(C2CC2)c1 CN(C)CC[*:1] O=C([O-])[C@H]([NH2+][*:1])c1cccc(c1)C1CC1
CN(C)CC[NH2+][C@@H](C(=O)[O-])c1cccc(C2CC2)c1 CN(C)[*:1] O=C([O-])[C@H]([NH2+]CC[*:1])c1cccc(c1)C1CC1
C[C@@H]([NH2+]Cc1ccncc1)[C@@H](C)n1cccn1 c1cnn(c1)[*:1] C[C@@H]([NH2+]Cc1ccncc1)[C@@H](C)[*:1]
Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2-c2ccc(F)cc2F)o1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(o1)C(=O)NNC(=O)c1cn(C)nc1[*:1]
Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2-c2ccc(F)cc2F)o1 Cc1ccc(o1)[*:1] Cn1cc(C(=O)NNC(=O)[*:1])c(n1)-c1ccc(F)cc1F
CN(C(=O)Cn1ncc(=O)c2ccccc21)c1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] CN(C(=O)Cn1ncc(=O)c2ccccc21)[*:1]
CCOCCN(CC)C(=O)Nc1c[nH]nc1-c1ccccn1 CCO[*:1] CCN(CC[*:1])C(=O)Nc1c[nH]nc1-c1ccccn1
CCOCCN(CC)C(=O)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] CCOCCN(CC)C(=O)Nc1c[nH]nc1[*:1]
CCOCCN(CC)C(=O)Nc1c[nH]nc1-c1ccccn1 CCOC[*:1] CCN(C[*:1])C(=O)Nc1c[nH]nc1-c1ccccn1
CCOCCN(CC)C(=O)Nc1c[nH]nc1-c1ccccn1 CCOCC[*:1] CCN(C(=O)Nc1c[nH]nc1-c1ccccn1)[*:1]
C=CCOc1c(Br)cc(CN2CCC3(C2)OCCO3)cc1OCC C=CCO[*:1] CCOc1cc(cc(Br)c1[*:1])CN1CCC2(C1)OCCO2
C=CCOc1c(Br)cc(CN2CCC3(C2)OCCO3)cc1OCC C=CC[*:1] CCOc1cc(cc(Br)c1O[*:1])CN1CCC2(C1)OCCO2
C=CCOc1c(Br)cc(CN2CCC3(C2)OCCO3)cc1OCC CCO[*:1] C=CCOc1c(Br)cc(cc1[*:1])CN1CCC2(C1)OCCO2
C[S@](=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] C[S@](=O)c1ccc(cc1)C(=O)N(Cc1ccccc1)C[*:1]
C[S@](=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] C[S@](=O)c1ccc(cc1)C(=O)N(CCc1ccccc1)C[*:1]
C[S@](=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] C[S@](=O)c1ccc(cc1)C(=O)N(CCc1ccccc1)[*:1]
C[S@](=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] C[S@](=O)c1ccc(cc1)C(=O)N(CC[*:1])Cc1ccccc1
C[S@](=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 c1ccc(cc1)CC[*:1] C[S@](=O)c1ccc(cc1)C(=O)N(Cc1ccccc1)[*:1]
COc1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)S(=O)(=O)[N-]c1nnc(s1)[*:1]
Cc1ccc2nc(CCCl)n([C@@H]3CCC(=O)N(C)C3)c2c1 ClCC[*:1] Cc1ccc2nc(n(c2c1)[C@@H]1CCC(=O)N(C)C1)[*:1]
C/C(=N/NC(=O)[C@@H]1C=C(c2cccs2)N=N1)c1ccc(C)cc1 c1csc(c1)[*:1] C/C(=N/NC(=O)[C@@H]1C=C(N=N1)[*:1])c1ccc(C)cc1
C/C(=N/NC(=O)[C@@H]1C=C(c2cccs2)N=N1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=NNC(=O)[C@@H]1C=C(N=N1)c1cccs1)[*:1]
Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)o2)c([N+](=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(-c2ccc(o2)C(=O)Nc2ccc(c(O)c2)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)o2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(-c2ccc(o2)C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c(c1)[*:1]
O=C(Nc1nc2c(s1)CCC2)c1ccc(-c2cnco2)cc1 c1ncc(o1)[*:1] O=C(Nc1nc2CCCc2s1)c1ccc(cc1)[*:1]
CC(C)C1C[NH+](C(C)(C)C[NH3+])C1 CC(C)[*:1] CC(C)(C[NH3+])[NH+]1CC(C1)[*:1]
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 Cc1ccc(Cl)cc1[*:1] COc1ccc(cc1S(=O)(=O)N1CCN(CC1)[*:1])-c1cc(C)no1
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 Cc1cc(on1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCN(CC1)c1cc(Cl)ccc1C)[*:1]
O=C(c1cccc(-c2ncc[nH]2)c1)N1CC(Oc2ccccc2Cl)C1 c1c[nH]c(n1)[*:1] O=C(c1cccc(c1)[*:1])N1CC(C1)Oc1ccccc1Cl
O=C(c1cccc(-c2ncc[nH]2)c1)N1CC(Oc2ccccc2Cl)C1 Clc1ccccc1O[*:1] O=C(c1cccc(c1)-c1ncc[nH]1)N1CC(C1)[*:1]
O=C(c1cccc(-c2ncc[nH]2)c1)N1CC(Oc2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(c1cccc(c1)-c1ncc[nH]1)N1CC(C1)O[*:1]
CCCn1c(C)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccccc1C CCC[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1nnc(C)n1[*:1]
CCCn1c(C)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccccc1C Cc1ccccc1[*:1] CCCn1c(C)nnc1S[C@H](C)C(=O)N[C@@H](C)[*:1]
COc1cccc(N2C[C@@H](NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2=O)c1 COc1cccc(c1)[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])c1ccc(cc1)N1C(=O)CCC1=O
COc1cccc(N2C[C@@H](NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2=O)c1 O=C1CCC(=O)N1[*:1] COc1cccc(c1)N1C[C@H](CC1=O)NC(=O)c1ccc(cc1)[*:1]
C[C@H](O)CCC(=O)N[C@H]1CCOc2ccccc21 C[C@H](O)CC[*:1] O=C(N[C@H]1CCOc2ccccc21)[*:1]
C[C@H](O)CCC(=O)N[C@H]1CCOc2ccccc21 C[C@H](O)C[*:1] O=C(C[*:1])N[C@H]1CCOc2ccccc21
C[C@H](O)CCC(=O)N[C@H]1CCOc2ccccc21 C[C@H](O)[*:1] O=C(CC[*:1])N[C@H]1CCOc2ccccc21
CS[C@@H]1CCC[C@@H]1NC(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CS[C@@H]1CCC[C@@H]1NC(=O)c1cc(ccc1Cl)[*:1]
COc1cc(CNc2cccc(C)c2)cc([N+](=O)[O-])c1O Cc1cccc(c1)[*:1] COc1cc(cc(c1O)[N+](=O)[O-])CN[*:1]
COc1cc(CNc2cccc(C)c2)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(cc(c1O)[*:1])CNc1cccc(C)c1
CC(C)Oc1ccc(NC(=O)N[C@@H](CCO)c2cccs2)c(F)c1 OCC[*:1] CC(C)Oc1ccc(NC(=O)N[C@@H](c2cccs2)[*:1])c(F)c1
CC(C)Oc1ccc(NC(=O)N[C@@H](CCO)c2cccs2)c(F)c1 CC(C)O[*:1] O=C(Nc1ccc(cc1F)[*:1])N[C@@H](CCO)c1cccs1
CC(C)Oc1ccc(NC(=O)N[C@@H](CCO)c2cccs2)c(F)c1 c1csc(c1)[*:1] CC(C)Oc1ccc(NC(=O)N[C@@H](CCO)[*:1])c(F)c1
CC(C)Oc1ccc(NC(=O)N[C@@H](CCO)c2cccs2)c(F)c1 CC(C)[*:1] O=C(Nc1ccc(cc1F)O[*:1])N[C@@H](CCO)c1cccs1
CN(Cc1nc2c(s1)CCCC2)C(=O)CCCc1ccccn1 c1ccc(C[*:1])nc1 CN(Cc1nc2CCCCc2s1)C(=O)CC[*:1]
CN(Cc1nc2c(s1)CCCC2)C(=O)CCCc1ccccn1 c1ccc(nc1)[*:1] CN(Cc1nc2CCCCc2s1)C(=O)CCC[*:1]
C[C@H]1C[C@]([NH2+]C2CCCCCC2)(C(=O)[O-])CS1 O=C([O-])[*:1] C[C@H]1C[C@@](CS1)([NH2+]C1CCCCCC1)[*:1]
C/C(=C\c1ccccc1)C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 c1ccc(cc1)[*:1] CC(=C[*:1])C[NH2+][C@H]1CCC[C@@H](C1)S(C)(=O)=O
C/C(=C\c1ccccc1)C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C/C(=C\c1ccccc1)C[NH2+][C@H]1CCC[C@H](C1)[*:1]
CC(C)c1ocnc1CS(=O)(=O)Cc1nc(C(F)(F)F)cs1 CC(C)[*:1] O=S(=O)(Cc1nc(cs1)C(F)(F)F)Cc1ncoc1[*:1]
CC(C)c1ocnc1CS(=O)(=O)Cc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC(C)c1ocnc1CS(=O)(=O)Cc1nc(cs1)[*:1]
CC(C)c1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 CC(C)[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)Nc1cccc(c1)[*:1]
Cn1nc(C(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)Nc1ccc2OCOc2c1
Cn1nc(C(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)C[*:1])C(=O)Nc1ccc2OCOc2c1
Cn1nc(C(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)Cc1ccccc1 c1cc2OCOc2cc1[*:1] Cn1nc(cc1NC(=O)Cc1ccccc1)C(=O)N[*:1]
Cc1cc(C)n2c(SCC(=O)N[C@H](C)CCc3ccccc3)nnc2n1 c1ccc(cc1)CC[*:1] Cc1cc(C)n2c(nnc2n1)SCC(=O)N[C@H](C)[*:1]
Cc1cc(C)n2c(SCC(=O)N[C@H](C)CCc3ccccc3)nnc2n1 c1ccc(cc1)[*:1] Cc1cc(C)n2c(nnc2n1)SCC(=O)N[C@H](C)CC[*:1]
Cc1cc(C)n2c(SCC(=O)N[C@H](C)CCc3ccccc3)nnc2n1 c1ccc(cc1)C[*:1] Cc1cc(C)n2c(nnc2n1)SCC(=O)N[C@H](C)C[*:1]
CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(-n3cccn3)nc2)C1=O c1cnn(c1)[*:1] CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(nc2)[*:1])C1=O
Cc1ccc(-c2nnco2)cc1NC(=O)c1csc2c1CC[C@@H](C)C2 c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)c1csc2C[C@H](C)CCc12)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)cc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] N#Cc1ccc(cc1)C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C#N)cc3)CC2)c(C)c1 N#Cc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)COC(=O)[*:1]
CO[C@@H](CNC(=O)[C@H](C)c1cccc(C)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)[C@H](C)c1cccc(C)c1)[*:1]
CO[C@@H](CNC(=O)[C@H](C)c1cccc(C)c1)c1ccc(F)cc1 Cc1cccc(c1)[*:1] CO[C@@H](CNC(=O)[C@H](C)[*:1])c1ccc(F)cc1
Cc1ccc(F)cc1NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ccc(F)cc1NC(=O)[C@@H]1CCCCN1C(=O)O[*:1]
Cc1ccc(F)cc1NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C Cc1ccc(F)cc1[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[*:1]
CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1)[*:1]
CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H](NS(=O)(=O)c1cccc(F)c1)[*:1]
COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCCC2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)C(=O)NC[C@H]([NH+]1CCCCCC1)[*:1]
COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)[*:1]
C[NH2+][C@@H](c1ccc(C)c(C)c1)c1ncc[nH]1 c1c[nH]c(n1)[*:1] C[NH2+][C@@H](c1ccc(C)c(C)c1)[*:1]
CC(C)(C)CCS(=O)(=O)NCCc1cscn1 CC(C)(C)[*:1] O=S(=O)(CC[*:1])NCCc1cscn1
CC(C)(C)CCS(=O)(=O)NCCc1cscn1 c1nc(cs1)[*:1] CC(C)(C)CCS(=O)(=O)NCC[*:1]
CC(C)(C)CCS(=O)(=O)NCCc1cscn1 CC(C)(C)C[*:1] O=S(=O)(C[*:1])NCCc1cscn1
Cc1c(CSC(C)C)cccc1NC(=O)C1CC[NH+](C)CC1 CC(C)SC[*:1] Cc1c(cccc1[*:1])NC(=O)C1CC[NH+](C)CC1
Cc1c(CSC(C)C)cccc1NC(=O)C1CC[NH+](C)CC1 CC(C)S[*:1] Cc1c(cccc1NC(=O)C1CC[NH+](C)CC1)C[*:1]
Cc1c(CSC(C)C)cccc1NC(=O)C1CC[NH+](C)CC1 CC(C)[*:1] Cc1c(cccc1NC(=O)C1CC[NH+](C)CC1)CS[*:1]
Nc1ccc2c(N3CCO[C@H](c4ccc(Cl)cc4)C3)ncnc2n1 Clc1ccc(cc1)[*:1] Nc1ccc2c(ncnc2n1)N1CCO[C@H](C1)[*:1]
CC[C@H]1Cc2c(ncn(NC(=O)C3=NN=C(c4ccccc4)C3)c2=O)S1 c1ccc(cc1)[*:1] CC[C@H]1Cc2c(ncn(NC(=O)C3CC(=NN=3)[*:1])c2=O)S1
CNC(=O)CN1CCN(C(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 CNC(=O)C[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
CNC(=O)CN1CCN(C(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 Cc1noc(C)c1CO[*:1] CNC(=O)CN1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CNC(=O)CN1CCN(C(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 Cc1noc(C)c1[*:1] CNC(=O)CN1CCN(CC1)C(=O)c1ccc(cc1)OC[*:1]
CNC(=O)CN1CCN(C(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 CNC(=O)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N1CCN(CC1)C[*:1]
CNC(=O)CN1CCN(C(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 Cc1noc(C)c1C[*:1] CNC(=O)CN1CCN(CC1)C(=O)c1ccc(cc1)O[*:1]
CCCC(=O)N1CCC(Oc2nc3ccccc3s2)CC1 CCC[*:1] O=C(N1CCC(CC1)Oc1nc2ccccc2s1)[*:1]
C[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)[*:1]
CCN1CCc2nc(NC(=O)c3cccs3)sc2C1 c1csc(c1)[*:1] CCN1CCc2nc(NC(=O)[*:1])sc2C1
CC(C)c1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 CC(C)[*:1] O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)C(=O)NNC(=O)C[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)N2CCC(O)(C(F)(F)F)CC2)C1 CCC[*:1] O=C([C@@H]1CCCN(C1)C(=O)[*:1])N1CCC(O)(CC1)C(F)(F)F
CCCC(=O)N1CCC[C@@H](C(=O)N2CCC(O)(C(F)(F)F)CC2)C1 FC(F)(F)[*:1] CCCC(=O)N1CCC[C@H](C1)C(=O)N1CCC(O)(CC1)[*:1]
Cc1cc2oc(=O)cc(CSc3nnc(-c4ccncc4)n3C)c2cc1C(C)C CC(C)[*:1] Cc1cc2oc(=O)cc(CSc3nnc(-c4ccncc4)n3C)c2cc1[*:1]
Cc1cc2oc(=O)cc(CSc3nnc(-c4ccncc4)n3C)c2cc1C(C)C c1cc(ccn1)[*:1] Cc1cc2oc(=O)cc(CSc3nnc(n3C)[*:1])c2cc1C(C)C
CCc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 O=C1CCCN1[*:1] CCc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[*:1]
CCc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 CCc1ccc(cc1)[*:1] O=C1CCCN1c1cccc(c1)NS(=O)(=O)[*:1]
C[C@@H](NC(=O)NC1CC=CC1)c1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)NC1CC=CC1)c1ccccc1[*:1]
NC(=O)[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 NC(=O)[*:1] O=c1[nH]c2ccc(cc2[nH]1)N[C@H](c1ccccc1)[*:1]
NC(=O)[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)[*:1]
O=C(OCCCc1ccncc1)c1csc(-c2ccc3c(c2)OCCO3)n1 c1cc(ccn1)C[*:1] O=C(OCC[*:1])c1csc(n1)-c1ccc2OCCOc2c1
O=C(OCCCc1ccncc1)c1csc(-c2ccc3c(c2)OCCO3)n1 c1cc(ccn1)CC[*:1] O=C(OC[*:1])c1csc(n1)-c1ccc2OCCOc2c1
O=C(OCCCc1ccncc1)c1csc(-c2ccc3c(c2)OCCO3)n1 c1cc(ccn1)[*:1] O=C(OCCC[*:1])c1csc(n1)-c1ccc2OCCOc2c1
O=C(OCCCc1ccncc1)c1csc(-c2ccc3c(c2)OCCO3)n1 c1cc(ccn1)CCC[*:1] O=C(O[*:1])c1csc(n1)-c1ccc2OCCOc2c1
COc1cc([C@H](C)[C@@H](C)Br)ccc1Cl C[C@@H](Br)[*:1] COc1cc(ccc1Cl)[C@H](C)[*:1]
COc1ccc([C@]2(CC(=O)N(C)[C@H](C)c3nc(C)cs3)CC(=O)N(C)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1csc(n1)[C@@H](C)N(C)C(=O)C[C@@]1(CC(=O)N(C)C1=O)[*:1]
COc1ccc([C@]2(CC(=O)N(C)[C@H](C)c3nc(C)cs3)CC(=O)N(C)C2=O)cc1 Cc1csc(n1)[*:1] COc1ccc(cc1)[C@@]1(CC(=O)N(C)C1=O)CC(=O)N(C)[C@H](C)[*:1]
C[C@@H](Sc1nncs1)C(=O)Nc1ccc2c(c1)OCCO2 c1nnc(S[*:1])s1 C[C@@H](C(=O)Nc1ccc2OCCOc2c1)[*:1]
C[C@@H](Sc1nncs1)C(=O)Nc1ccc2c(c1)OCCO2 c1nnc(s1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc2OCCOc2c1
CC(=O)N(C)Cc1cccc(NC(=O)NNc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)NN[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NNc2ccc(F)cc2)c1 CC(=O)N(C)C[*:1] O=C(NNc1ccc(F)cc1)Nc1cccc(c1)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NNc2ccc(F)cc2)c1 CC(=O)N(C)[*:1] O=C(NNc1ccc(F)cc1)Nc1cccc(c1)C[*:1]
O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC(CC1)OC[*:1]
O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC(CC1)O[*:1]
O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC(CC1)[*:1]
O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC(OCc2ccccc2F)CC1 Clc1ccccc1[*:1] O=C([C@@H]1C[C@H]1[*:1])N1CCC(CC1)OCc1ccccc1F
CSC[C@@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1C#N CSC[*:1] C[C@@H](N(C)S(=O)(=O)c1cccc(Cl)c1C#N)[*:1]
Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)cs2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1nc(cs1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1csc(n1)[*:1]
Cc1cc(C)cc(OCn2ccc(C(=O)N[C@H]3CCCC[C@H]3C[NH+](C)C)n2)c1 Cc1cc(C)cc(c1)O[*:1] C[NH+](C)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(C[*:1])n1
Cc1cc(C)cc(OCn2ccc(C(=O)N[C@H]3CCCC[C@H]3C[NH+](C)C)n2)c1 Cc1cc(C)cc(c1)[*:1] C[NH+](C)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(CO[*:1])n1
Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1Cc1ccco1 c1coc(c1)C[*:1] Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1[*:1]
Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1Cc1ccco1 CC(C)C[*:1] Cc1c(C)n2c3c(=O)n(c(=O)n(C)c3nc2n1Cc1ccco1)[*:1]
Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1Cc1ccco1 CC(C)[*:1] Cc1c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1Cc1ccco1
Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1Cc1ccco1 c1coc(c1)[*:1] Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1C[*:1]
CC(C)(C)CN(CCC#N)CN1CCCCC1=O N#CCC[*:1] CC(C)(C)CN(CN1CCCCC1=O)[*:1]
CC(C)(C)CN(CCC#N)CN1CCCCC1=O N#CC[*:1] CC(C)(C)CN(CN1CCCCC1=O)C[*:1]
CC(C)(C)CN(CCC#N)CN1CCCCC1=O CC(C)(C)C[*:1] N#CCCN(CN1CCCCC1=O)[*:1]
CC(C)(C)CN(CCC#N)CN1CCCCC1=O CC(C)(C)[*:1] N#CCCN(CN1CCCCC1=O)C[*:1]
COCCc1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CCC2)cc1 Brc1ccc(cc1)[*:1] COCCc1ccc(cc1)S(=O)(=O)NC1(CCC1)[*:1]
COCCc1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CCC2)cc1 COCC[*:1] O=S(=O)(NC1(CCC1)c1ccc(Br)cc1)c1ccc(cc1)[*:1]
COCCc1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CCC2)cc1 COC[*:1] O=S(=O)(NC1(CCC1)c1ccc(Br)cc1)c1ccc(cc1)C[*:1]
CC[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)[*:1]
CC(C)CCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 CC(C)[*:1] O=C(CC[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1\CCCCCN1
CC(C)CCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 CC(C)C[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1\CCCCCN1
CC(C)CCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 CC(C)CCC(=O)N[*:1] O=S(=O)(/N=C1\CCCCCN1)c1cccc(c1)[*:1]
CC(C)CCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 CC(C)CC[*:1] O=C(Nc1cccc(c1)S(=O)(=O)/N=C1\CCCCCN1)[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[*:1]
CC[C@@H](NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C)c1ccncc1 Clc1ccccc1[*:1] CC[C@@H](NC(=O)N(C)[C@@H](C(C)C)[*:1])c1ccncc1
CC[C@@H](NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C)c1ccncc1 CC(C)[*:1] CC[C@@H](NC(=O)N(C)[C@@H](c1ccccc1Cl)[*:1])c1ccncc1
CC[C@@H](NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C)[*:1]
Cc1ccc(C2=NN=C(C(=O)N/N=C/c3ccccc3Cl)C2)s1 Clc1ccccc1[*:1] Cc1ccc(s1)C1CC(=NN=1)C(=O)NN=C[*:1]
Cc1ccc(C2=NN=C(C(=O)N/N=C/c3ccccc3Cl)C2)s1 Cc1ccc(s1)[*:1] O=C(N/N=C/c1ccccc1Cl)C1CC(=NN=1)[*:1]
COc1cc(OC)cc(-c2cnc(Cl)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] COc1cc(cc(c1)-c1cnc(Cl)c(c1)[*:1])OC
CCc1cc([C@H]2CCCN2C(=O)c2ccc(F)cc2)on1 Fc1ccc(cc1)[*:1] CCc1cc(on1)[C@H]1CCCN1C(=O)[*:1]
CCc1cc([C@H]2CCCN2C(=O)c2ccc(F)cc2)on1 CCc1cc(on1)[*:1] O=C(c1ccc(F)cc1)N1CCC[C@@H]1[*:1]
CC(C)Oc1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1 CC(C)O[*:1] O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc(cc1)[*:1]
CC(C)Oc1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(C)Oc1ccc(/C=N/NC(=O)CC(=O)N[*:1])cc1
CC(C)Oc1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1 CC(C)[*:1] O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc(cc1)O[*:1]
CCc1noc(CSCC(=O)Nc2ccc(C)cc2Cl)n1 CCc1noc(n1)[*:1] Cc1ccc(NC(=O)CSC[*:1])c(Cl)c1
O=S(=O)(CC1CCC1)N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 C1CC(C1)[*:1] O=S(=O)(C[*:1])N1CCC[C@H](C1)Oc1ccc(Cl)cn1
O=S(=O)(CC1CCC1)N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 Clc1ccc(nc1)[*:1] O=S(=O)(CC1CCC1)N1CCC[C@H](C1)O[*:1]
O=S(=O)(CC1CCC1)N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 C1CC(C1)C[*:1] O=S(=O)(N1CCC[C@H](C1)Oc1ccc(Cl)cn1)[*:1]
Cc1nnc(Sc2ccc(NC(=O)N[C@H]3CC[C@@H]([NH+](C)C)C3)c(C)c2)s1 Cc1nnc(s1)[*:1] Cc1cc(ccc1NC(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)S[*:1]
Cc1nnc(Sc2ccc(NC(=O)N[C@H]3CC[C@@H]([NH+](C)C)C3)c(C)c2)s1 Cc1nnc(S[*:1])s1 Cc1cc(ccc1NC(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
CCNC(=O)[C@@H](C)Oc1ccc(OC)cc1/C=C/C(=O)[O-] CCNC(=O)[*:1] COc1ccc(O[C@H](C)[*:1])c(/C=C/C(=O)[O-])c1
CCNC(=O)[C@@H](C)Oc1ccc(OC)cc1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] CCNC(=O)[C@@H](C)Oc1ccc(cc1[*:1])OC
CCNC(=O)[C@@H](C)Oc1ccc(OC)cc1/C=C/C(=O)[O-] CCNC(=O)[C@@H](C)[*:1] COc1ccc(O[*:1])c(/C=C/C(=O)[O-])c1
CCNC(=O)[C@@H](C)Oc1ccc(OC)cc1/C=C/C(=O)[O-] O=C([O-])[*:1] CCNC(=O)[C@@H](C)Oc1ccc(cc1C=C[*:1])OC
C[C@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)CC(C)(C)C1 CS(=O)(=O)[*:1] C[C@H]1C[C@H](CC(C)(C)C1)[NH2+]CCC[*:1]
C[C@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)CC(C)(C)C1 CS(=O)(=O)C[*:1] C[C@H]1C[C@H](CC(C)(C)C1)[NH2+]CC[*:1]
COC(=O)[C@@]1(C)O[C@]1(C)c1ccc(C)c(C)c1 COC(=O)[*:1] Cc1ccc(cc1C)[C@@]1(C)O[C@@]1(C)[*:1]
COc1c(Cl)cccc1N[C@@H](C)C(=O)Nc1ccccc1C Cc1ccccc1[*:1] COc1c(Cl)cccc1N[C@@H](C)C(=O)N[*:1]
COC(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(N3CCN(c4cccc[nH+]4)CC3)nc2c1 COC(=O)[*:1] O=c1c2ccc(cc2nc(N2CCN(CC2)c2cccc[nH+]2)n1-c1ccc(F)cc1)[*:1]
COC(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(N3CCN(c4cccc[nH+]4)CC3)nc2c1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc2c(=O)n(c(nc2c1)N1CCN(CC1)c1cccc[nH+]1)[*:1]
C[C@H](Nc1ncccn1)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@H](Nc1ncccn1)c1ccc(cc1)NC(=O)N[*:1]
C[C@H](Nc1ncccn1)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] C[C@H](Nc1ncccn1)c1ccc(cc1)[*:1]
C[C@H](Nc1ncccn1)c1ccc(NC(=O)NC2CC2)cc1 c1cnc(nc1)[*:1] C[C@H](N[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@H](Nc1ncccn1)c1ccc(NC(=O)NC2CC2)cc1 c1cnc(nc1)N[*:1] C[C@H](c1ccc(cc1)NC(=O)NC1CC1)[*:1]
Cc1cc(F)ccc1S(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] O=C([O-])[*:1] Cc1cc(F)ccc1S(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)[*:1]
Cc1cc(F)ccc1S(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] Cc1cc(F)ccc1[*:1] O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)[*:1]
CNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccc(OC)cc2)cc1 COc1ccc(cc1)C[*:1] CNC(=O)c1ccc(cc1)CSc1nc2cccnc2n1[*:1]
CNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)CSc1nc2cccnc2n1C[*:1]
CNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccc(OC)cc2)cc1 CNC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)Cn1c(nc2cccnc21)SC[*:1]
CNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccc(OC)cc2)cc1 CNC(=O)[*:1] COc1ccc(cc1)Cn1c(nc2cccnc21)SCc1ccc(cc1)[*:1]
O=C(c1ccc2[nH]cnc2c1)N1CCN(Cc2cnc3ccccn23)CC1 c1nc2cc(ccc2[nH]1)[*:1] O=C(N1CCN(CC1)Cc1cnc2ccccn12)[*:1]
O=C(c1ccc2[nH]cnc2c1)N1CCN(Cc2cnc3ccccn23)CC1 c1ccn2c(cnc2c1)[*:1] O=C(c1ccc2[nH]cnc2c1)N1CCN(CC1)C[*:1]
C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1=O Clc1ccc(cc1Cl)[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)cc1 O=C(NC1CCCCC1)[*:1] COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NC1CCCCC1)c1ccc(cc1)S(=O)(=O)N[*:1]
CC(=O)N(C)CC(=O)Nc1cc(F)ccc1Cl CC(=O)N(C)[*:1] O=C(C[*:1])Nc1cc(F)ccc1Cl
Cc1cc(C[NH+]2CCC(OC(C)(C)C)CC2)c(C)o1 CC(C)(C)O[*:1] Cc1cc(C[NH+]2CCC(CC2)[*:1])c(C)o1
Cc1cc(C[NH+]2CCC(OC(C)(C)C)CC2)c(C)o1 CC(C)(C)[*:1] Cc1cc(C[NH+]2CCC(CC2)O[*:1])c(C)o1
CCCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nc2ccccc2c1=O CCC[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CC[C@H](C)S(=O)(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 CC[C@H](C)[*:1] O=S(=O)(N[C@@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1C c1ccc(nc1)[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(-c2ccccn2)n1[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1C Cc1ccc(cc1C)[*:1] O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)N[*:1]
O=C(Oc1ccc2c(c1)OCCO2)[C@@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Oc1ccc2OCCOc2c1)[C@@H]1C[C@@H]1[*:1]
Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)c1c[nH]c(=O)[nH]1 O=c1[nH]cc([nH]1)[*:1] Cc1nc(ncc1[C@H](C)NC(=O)[*:1])N1CCCCCCC1
Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)c1c[nH]c(=O)[nH]1 C1CCCN(CCC1)[*:1] Cc1nc(ncc1[C@H](C)NC(=O)c1c[nH]c(=O)[nH]1)[*:1]
CSC[C@@H](C)NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 CSC[*:1] Cc1ccc(nc1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
CSC[C@@H](C)NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 Cc1ccc(nc1)[*:1] CSC[C@@H](C)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
O=C(CCSC[C@@H](O)CO)Nc1ccccc1Cl OC[C@H](O)[*:1] O=C(CCSC[*:1])Nc1ccccc1Cl
Cc1ccc([C@@H](C)NC(=O)c2cccc(-n3cccn3)n2)o1 c1cnn(c1)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)c1cccc(n1)[*:1]
Cc1ccc([C@@H](C)NC(=O)c2cccc(-n3cccn3)n2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)c1cccc(n1)-n1cccn1)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)COc1ccccc1F O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)COc1ccccc1F)[*:1]
COc1ccc(-n2c(C)nc3nc([NH+]4CCCC4)nc([O-])c3c2=S)cc1 COc1ccc(cc1)[*:1] Cc1nc2nc(nc([O-])c2c(=S)n1[*:1])[NH+]1CCCC1
CSCCCCNC(=O)N(C)C1CCC1 CSCCC[*:1] CN(C(=O)NC[*:1])C1CCC1
CSCCCCNC(=O)N(C)C1CCC1 C1CC(C1)[*:1] CSCCCCNC(=O)N(C)[*:1]
CSCCCCNC(=O)N(C)C1CCC1 CSCC[*:1] CN(C(=O)NCC[*:1])C1CCC1
CSCCCCNC(=O)N(C)C1CCC1 CSC[*:1] CN(C(=O)NCCC[*:1])C1CCC1
COc1ccccc1C[C@@H](C)N(C)C(=O)/C=C/c1ccc2ccccc2n1 COc1ccccc1C[*:1] C[C@@H](N(C)C(=O)/C=C/c1ccc2ccccc2n1)[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)/C=C/c1ccc2ccccc2n1 COc1ccccc1[*:1] C[C@H](C[*:1])N(C)C(=O)/C=C/c1ccc2ccccc2n1
CCCC(=O)NCC(=O)N1CCC[C@H]1c1ccc[nH]1 CCCC(=O)N[*:1] O=C(C[*:1])N1CCC[C@H]1c1ccc[nH]1
CCCC(=O)NCC(=O)N1CCC[C@H]1c1ccc[nH]1 CCC[*:1] O=C(CNC(=O)[*:1])N1CCC[C@H]1c1ccc[nH]1
CCCC(=O)NCC(=O)N1CCC[C@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] CCCC(=O)NCC(=O)N1CCC[C@@H]1[*:1]
C[C@@H](COc1ccc(F)c(F)c1)[NH2+][C@H](CO)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](COc1ccc(F)c(F)c1)[NH2+][C@H](CO)[*:1]
CC(C)C(=O)NCCNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 CC(C)[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)NCCNC(=O)[*:1]
CC(C)C(=O)NCCNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 CC(C)C(=O)NC[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)NC[*:1]
CC(C)C(=O)NCCNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 CC(C)C(=O)N[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)NCC[*:1]
CCCCN(C)C(=O)Cn1c(-c2ccc(OC)cc2)nc(C)cc1=O CCCC[*:1] COc1ccc(cc1)-c1nc(C)cc(=O)n1CC(=O)N(C)[*:1]
CCCCN(C)C(=O)Cn1c(-c2ccc(OC)cc2)nc(C)cc1=O CCC[*:1] COc1ccc(cc1)-c1nc(C)cc(=O)n1CC(=O)N(C)C[*:1]
CCCCN(C)C(=O)Cn1c(-c2ccc(OC)cc2)nc(C)cc1=O CCCCN(C)C(=O)[*:1] COc1ccc(cc1)-c1nc(C)cc(=O)n1C[*:1]
CCCCN(C)C(=O)Cn1c(-c2ccc(OC)cc2)nc(C)cc1=O COc1ccc(cc1)[*:1] CCCCN(C)C(=O)Cn1c(nc(C)cc1=O)[*:1]
CC(=O)C(C)(C)C[NH+](C)Cc1cccc(C)n1 CC(=O)[*:1] Cc1cccc(C[NH+](C)CC(C)(C)[*:1])n1
C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H](SC)C2)c1 C#CC[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)O[*:1]
C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H](SC)C2)c1 C#CCO[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1sc2nc([C@H](C)Sc3nnnn3Cc3cccs3)[nH]c(=O)c2c1C c1csc(c1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Sc1nnnn1C[*:1]
Cc1sc2nc([C@H](C)Sc3nnnn3Cc3cccs3)[nH]c(=O)c2c1C c1csc(c1)C[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Sc1nnnn1[*:1]
OC1(c2ccc(Br)cc2)CC[NH+](C2Cc3ccccc3C2)CC1 Brc1ccc(cc1)[*:1] OC1(CC[NH+](CC1)C1Cc2ccccc2C1)[*:1]
O=[N+]([O-])c1cccc2c[nH+]c([O-])cc12 O=[N+]([O-])[*:1] [O-]c1cc2c(cccc2c[nH+]1)[*:1]
CCOC(=O)CCc1c[nH]c2ccc(C)cc12 CCOC(=O)[*:1] Cc1ccc2[nH]cc(CC[*:1])c2c1
C[NH+](Cc1csc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 NC(=O)[*:1] C[NH+](Cc1csc(c1)[N+](=O)[O-])C1(CCCC1)[*:1]
C[NH+](Cc1csc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 O=[N+]([O-])[*:1] C[NH+](Cc1csc(c1)[*:1])C1(CCCC1)C(N)=O
CC(C)c1nc2cc(NC(=O)CN3CCS(=O)(=O)CC3)ccc2o1 O=S1(=O)CCN(CC1)[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)C[*:1]
CC(C)c1nc2cc(NC(=O)CN3CCS(=O)(=O)CC3)ccc2o1 CC(C)[*:1] O=C(CN1CCS(=O)(=O)CC1)Nc1ccc2oc(nc2c1)[*:1]
C#CCn1/c(=N/C(=O)C2=COCCO2)sc2cc(OC)c(OC)cc21 C#CC[*:1] COc1cc2s/c(=N\C(=O)C3=COCCO3)n(c2cc1OC)[*:1]
O=c1[nH]nc2c(N3CCC([NH2+]C4CCOCC4)CC3)nccn12 C1CC(CCO1)[*:1] O=c1[nH]nc2c(nccn12)N1CCC(CC1)[NH2+][*:1]
COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1cc(F)ccc1C Cc1ccc(F)cc1[*:1] COc1ccccc1-n1cnnc1S[C@H](C)C(=O)N[*:1]
COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1cc(F)ccc1C COc1ccccc1[*:1] Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1nncn1[*:1]
COC(=O)NCC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C COC(=O)NC[*:1] Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[*:1])c1C
COC(=O)NCC(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C COC(=O)N[*:1] Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C[*:1])c1C
Cc1nc(CS(=O)(=O)CC(=O)NCc2ccc(F)cc2)sc1C Fc1ccc(cc1)[*:1] Cc1nc(CS(=O)(=O)CC(=O)NC[*:1])sc1C
Cc1nc(CS(=O)(=O)CC(=O)NCc2ccc(F)cc2)sc1C Cc1nc(sc1C)[*:1] O=C(CS(=O)(=O)C[*:1])NCc1ccc(F)cc1
NC(=O)c1c(F)cc(Br)cc1N[C@@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] NC(=O)c1c(F)cc(Br)cc1N[C@@H]1C[C@H]1[*:1]
NC(=O)c1c(F)cc(Br)cc1N[C@@H]1C[C@@H]1c1ccccc1F NC(=O)[*:1] Fc1ccccc1[C@H]1C[C@H]1Nc1cc(Br)cc(F)c1[*:1]
O=C(NCCc1ccc(Cl)cc1)c1nnc(Cc2ccc(Cl)cc2)o1 Clc1ccc(cc1)C[*:1] O=C(NC[*:1])c1nnc(Cc2ccc(Cl)cc2)o1
O=C(NCCc1ccc(Cl)cc1)c1nnc(Cc2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] O=C(NCC[*:1])c1nnc(Cc2ccc(Cl)cc2)o1
O=C(NCCc1ccc(Cl)cc1)c1nnc(Cc2ccc(Cl)cc2)o1 Clc1ccc(cc1)C[*:1] O=C(NCCc1ccc(Cl)cc1)c1nnc(o1)[*:1]
O=C(NCCc1ccc(Cl)cc1)c1nnc(Cc2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] O=C(NCCc1ccc(Cl)cc1)c1nnc(C[*:1])o1
CCn1nc(C)cc1C(=O)Nc1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1nc(C)cc1C(=O)Nc1cn(C)nc1[*:1]
Cc1nc(Cc2nn(CN3CCO[C@H]4CCCC[C@@H]43)c(=S)o2)cs1 Cc1nc(cs1)[*:1] S=c1oc(C[*:1])nn1CN1CCO[C@H]2CCCC[C@@H]21
Cc1nc(Cc2nn(CN3CCO[C@H]4CCCC[C@@H]43)c(=S)o2)cs1 Cc1nc(cs1)C[*:1] S=c1oc(nn1CN1CCO[C@H]2CCCC[C@@H]21)[*:1]
CCOc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 CCO[*:1] O=C(N/N=C/c1ccc(s1)[N+](=O)[O-])c1ccccc1[*:1]
CCOc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] CCOc1ccccc1C(=O)N/N=C/c1ccc(s1)[*:1]
C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)[*:1]
C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)c1ccc(Cl)s1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N[C@H](CO)[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)c1ccc(Cl)s1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H](CO)C[*:1])c1ccc(Cl)s1
O=C1C[C@H](c2ccco2)CC2=C3N=c4ccccc4=C3C=C12 c1coc(c1)[*:1] O=C1C[C@H](CC2C1=CC1C=2N=c2ccccc2=1)[*:1]
O=C(NCc1cccnc1)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 c1cncc(c1)[*:1] O=C(NC[*:1])[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
O=C(NCc1cccnc1)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 c1cncc(c1)C[*:1] O=C(N[*:1])[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
O=C(NCc1cccnc1)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1cccnc1)[C@@H]1CC1(c1ccc(Cl)cc1)[*:1]
CCOC[C@H]1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 CCOC[*:1] O=C(Cc1ccc(cc1)-n1cccn1)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 CCO[*:1] O=C(Cc1ccc(cc1)-n1cccn1)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 c1cnn(c1)[*:1] CCOC[C@H]1CCN(C1)C(=O)Cc1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4ccc(F)cc4)C(=S)N32)cc1 CCO[*:1] O=C1[C@H]2CS[C@@H](c3ccc(cc3)[*:1])N2C(=S)N1c1ccc(F)cc1
CCOc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4ccc(F)cc4)C(=S)N32)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H]1SC[C@@H]2C(=O)N(C(=S)N21)[*:1]
O=C1NC(=N\c2ccc(F)cc2)/C(=C/c2cccs2)S1 c1csc(c1)[*:1] O=C1N/C(=N\c2ccc(F)cc2)C(=C[*:1])S1
COc1ccc(NC(=O)[C@H]2CCc3sc(C(=O)N(C)C)cc3C2)cc1 COc1ccc(cc1)[*:1] CN(C)C(=O)c1cc2C[C@H](CCc2s1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@H]2CCc3sc(C(=O)N(C)C)cc3C2)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CCc2sc(cc2C1)[*:1]
CCN1C[C@@H](CN(C)c2nc3nonc3nc2N(C)C)CC1=O CN(C)[*:1] CCN1C[C@H](CC1=O)CN(C)c1nc2nonc2nc1[*:1]
C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1cccc(Cl)c1
C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)c1cccc(Cl)c1)[*:1]
C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccccc1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccccc1
C[NH+](CC(=O)NCc1ccccc1Cn1cccn1)C1CCCCCC1 c1cnn(c1)C[*:1] C[NH+](CC(=O)NCc1ccccc1[*:1])C1CCCCCC1
C[NH+](CC(=O)NCc1ccccc1Cn1cccn1)C1CCCCCC1 c1cnn(c1)[*:1] C[NH+](CC(=O)NCc1ccccc1C[*:1])C1CCCCCC1
C[NH+](CC(=O)NCc1ccccc1Cn1cccn1)C1CCCCCC1 C1CCCC(CC1)[*:1] C[NH+](CC(=O)NCc1ccccc1Cn1cccn1)[*:1]
COCCC/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 COCCC[*:1] [O-]/C(=N\c1nc(n[nH]1)C(F)(F)F)[*:1]
COCCC/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 COC[*:1] [O-]/C(CC[*:1])=N\c1nc(n[nH]1)C(F)(F)F
COCCC/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 COCC[*:1] [O-]/C(C[*:1])=N\c1nc(n[nH]1)C(F)(F)F
COCCC/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 FC(F)(F)[*:1] COCCC/C([O-])=N/c1nc(n[nH]1)[*:1]
COc1ccccc1-n1ccn(CC(=O)Nc2ccccc2F)c(=O)c1=O COc1ccccc1[*:1] O=C(Cn1ccn(c(=O)c1=O)[*:1])Nc1ccccc1F
COc1ccccc1-n1ccn(CC(=O)Nc2ccccc2F)c(=O)c1=O Fc1ccccc1[*:1] COc1ccccc1-n1ccn(CC(=O)N[*:1])c(=O)c1=O
C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1 CN(C)S(=O)(=O)[*:1] C[C@@H](NC(=O)NCc1ccccc1[*:1])c1ccccc1
C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)[*:1]
C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[*:1]
COC[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 COC[*:1] C[C@H](NC(=O)NCc1ccc(cc1)C[NH+]1CCCCC1)[*:1]
COC[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 COC[C@H](C)[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCC1)N[*:1]
O=C([C@H]1C[C@H]1c1ccco1)N1CCC[C@@H]1c1ccc(F)cc1 c1coc(c1)[*:1] O=C([C@H]1C[C@@H]1[*:1])N1CCC[C@@H]1c1ccc(F)cc1
O=C([C@H]1C[C@H]1c1ccco1)N1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C([C@H]1C[C@H]1c1ccco1)N1CCC[C@H]1[*:1]
CCCn1c(C)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 CCC[*:1] Cc1nnc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1[*:1]
CCCn1c(C)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCn1c(C)nnc1S[C@H](C)C(=O)N[C@H](C)[*:1]
C[C@@H](COc1ccc(F)cc1F)NC(=O)N[C@H](C)[C@@H](C)CO C[C@@H](CO)[*:1] C[C@@H](COc1ccc(F)cc1F)NC(=O)N[C@H](C)[*:1]
CCOc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] CCOc1ccc(cc1)S(=O)(=O)N(C)C[*:1]
CCOc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1 Cn1cc(cn1)C[*:1] CCOc1ccc(cc1)S(=O)(=O)N(C)[*:1]
CCOc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1 CCO[*:1] CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(cc1)[*:1]
O=C(CSc1nc(=O)ccn1C1CC1)NCc1cccnc1 C1CC1[*:1] O=C(CSc1nc(=O)ccn1[*:1])NCc1cccnc1
O=C(CSc1nc(=O)ccn1C1CC1)NCc1cccnc1 c1cncc(c1)[*:1] O=C(CSc1nc(=O)ccn1C1CC1)NC[*:1]
O=C(CSc1nc(=O)ccn1C1CC1)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(CSc1nc(=O)ccn1C1CC1)N[*:1]
C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccn(Cc3ccccc3)n1)CS2 c1ccc(cc1)[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)Nc1ccn(C[*:1])n1
C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccn(Cc3ccccc3)n1)CS2 c1ccc(cc1)C[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)Nc1ccn(n1)[*:1]
COC(=O)[C@H](C)CSCc1ncccc1C COC(=O)[*:1] Cc1cccnc1CSC[C@@H](C)[*:1]
CCN(C(=O)/C=C/C1CC1)c1ccccc1C(=O)OC C1CC1[*:1] CCN(C(=O)C=C[*:1])c1ccccc1C(=O)OC
CCN(C(=O)/C=C/C1CC1)c1ccccc1C(=O)OC C(=C[*:1])C1CC1 CCN(C(=O)[*:1])c1ccccc1C(=O)OC
CCN(C(=O)/C=C/C1CC1)c1ccccc1C(=O)OC COC(=O)[*:1] CCN(C(=O)/C=C/C1CC1)c1ccccc1[*:1]
COc1ccc([C@@H]2CC(=O)N3CN(Cc4cccnc4)CSC3=C2C#N)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)[C@@H]1CC(=O)N2CN(CSC2=C1C#N)[*:1]
COc1ccc([C@@H]2CC(=O)N3CN(Cc4cccnc4)CSC3=C2C#N)cc1 COc1ccc(cc1)[*:1] N#CC1=C2SCN(Cc3cccnc3)CN2C(=O)C[C@H]1[*:1]
COc1ccc([C@@H]2CC(=O)N3CN(Cc4cccnc4)CSC3=C2C#N)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)N2CN(CSC2=C1C#N)C[*:1]
Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C)OCC2(C)C)c1C Cc1cccc(c1C)[*:1] C[C@@H]1CN(CC(=O)NC(=O)N[*:1])C(C)(C)CO1
CC(C)(CO)NC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] CC(C)(CO)NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CC(C)(CO)NC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 CC(C)(CO)NC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc2OCOc2c1
CC(C)(CO)NC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 CC(C)(CO)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccc2OCOc2c1)N[*:1]
CC(C)(CO)NC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 CC(C)(CO)NC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2OCOc2c1
C[C@@H](OC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1N(C)C CN(C)[*:1] C[C@@H](OC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1[*:1]
C[C@H](CNC(=O)[C@H](O)c1ccccc1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@H](O)c1ccccc1)O[*:1]
C[C@H](CNC(=O)[C@H](O)c1ccccc1)Oc1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@H](O)[*:1])Oc1ccc(F)cc1
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCCCS(C)(=O)=O CS(=O)(=O)C[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCC[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCCCS(C)(=O)=O CS(=O)(=O)CC[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCCCS(C)(=O)=O CS(=O)(=O)CCC[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCCCS(C)(=O)=O CS(=O)(=O)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCCC[*:1]
C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)C[C@@H](C)O1 CS(=O)(=O)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1cc(c(Cl)cc1Cl)[*:1]
CC[NH2+][C@H](CSCC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CCS[*:1] CC[NH2+][C@H](C[*:1])[C@@H]1CCC[C@@H](C1)S(C)(=O)=O
CC[NH2+][C@H](CSCC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CCSC[*:1] CC[NH2+][C@H]([C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC[NH2+][C@H](CSCC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[NH2+][C@H](CSCC)[C@@H]1CCC[C@H](C1)[*:1]
CCN(Cc1cccc(C)n1)[C@H](C[NH3+])c1cc(Cl)cs1 Clc1csc(c1)[*:1] CCN(Cc1cccc(C)n1)[C@H](C[NH3+])[*:1]
O=C(NCc1cccnc1)c1nn(-c2ccccc2)c2c1CCC2 c1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1nn(c2CCCc12)[*:1]
O=C(NCc1cccnc1)c1nn(-c2ccccc2)c2c1CCC2 c1cncc(c1)[*:1] O=C(NC[*:1])c1nn(-c2ccccc2)c2CCCc12
O=C(NCc1cccnc1)c1nn(-c2ccccc2)c2c1CCC2 c1cncc(c1)C[*:1] O=C(N[*:1])c1nn(-c2ccccc2)c2CCCc12
CCC[C@@H](C)C(=O)Nc1ccc2oc(COC)nc2c1 CCC[*:1] COCc1nc2cc(ccc2o1)NC(=O)[C@H](C)[*:1]
CCC[C@@H](C)C(=O)Nc1ccc2oc(COC)nc2c1 CCC[C@@H](C)[*:1] COCc1nc2cc(ccc2o1)NC(=O)[*:1]
CCC[C@@H](C)C(=O)Nc1ccc2oc(COC)nc2c1 COC[*:1] CCC[C@@H](C)C(=O)Nc1ccc2oc(nc2c1)[*:1]
CCn1c(=O)c(C)nc2cc(C(=O)NN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)ccc21 c1ccc(cc1)[*:1] CCn1c(=O)c(C)nc2cc(ccc21)C(=O)NN1C(=O)NC(C1=O)(c1ccccc1)[*:1]
Cc1cccc(N(C)C(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)c1 c1csc(c1)[*:1] Cc1cccc(c1)N(C)C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1[*:1]
Cc1cccc(N(C)C(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)c1 Cc1cccc(c1)[*:1] CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)[*:1])[C@@H]1c1cccs1
Cc1cccc(N(C)C(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)c1 CC(C)[*:1] Cc1cccc(c1)N(C)C(=O)[C@H]1c2ccccc2C(=O)N(C[*:1])[C@H]1c1cccs1
Cc1cccc(N(C)C(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)c1 CC(C)C[*:1] Cc1cccc(c1)N(C)C(=O)[C@H]1c2ccccc2C(=O)N([C@H]1c1cccs1)[*:1]
C[C@H](c1ccc(-c2nc3c([nH]2)CC[NH2+]C3)cc1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](c1ccc(cc1)-c1nc2C[NH2+]CCc2[nH]1)[*:1]
NNC(=O)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 FC(F)(F)[*:1] NNC(=O)COc1ccc(c(O)c1)-c1n[nH]c(c1-c1ccc(Cl)cc1)[*:1]
NNC(=O)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 NNC(=O)CO[*:1] Oc1cc(ccc1-c1n[nH]c(c1-c1ccc(Cl)cc1)C(F)(F)F)[*:1]
NNC(=O)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 NNC(=O)C[*:1] Oc1cc(ccc1-c1n[nH]c(c1-c1ccc(Cl)cc1)C(F)(F)F)O[*:1]
NNC(=O)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 NNC(=O)[*:1] Oc1cc(ccc1-c1n[nH]c(c1-c1ccc(Cl)cc1)C(F)(F)F)OC[*:1]
NNC(=O)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 Clc1ccc(cc1)[*:1] NNC(=O)COc1ccc(c(O)c1)-c1n[nH]c(c1[*:1])C(F)(F)F
C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CC1)[*:1]
COC(=O)CC(=O)c1nc(C)sc1C COC(=O)[*:1] Cc1nc(C(=O)C[*:1])c(C)s1
COCC[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 COCC[*:1] C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)[*:1]
COCC[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 COCC[C@@H](C)[*:1] O=C(N[C@@H]1CCCc2ccccc21)[*:1]
COCC[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 COC[*:1] C[C@H](C[*:1])C(=O)N[C@@H]1CCCc2ccccc21
CCc1nn(C)cc1NC(=O)NCc1ccncc1 c1cc(ccn1)[*:1] CCc1nn(C)cc1NC(=O)NC[*:1]
O=C(N[C@@H]1C=CCCC1)N(CCCO)Cc1ccncc1 c1cc(ccn1)C[*:1] O=C(N[C@@H]1C=CCCC1)N(CCCO)[*:1]
O=C(N[C@@H]1C=CCCC1)N(CCCO)Cc1ccncc1 OCC[*:1] O=C(N[C@@H]1C=CCCC1)N(Cc1ccncc1)C[*:1]
O=C(N[C@@H]1C=CCCC1)N(CCCO)Cc1ccncc1 OCCC[*:1] O=C(N[C@@H]1C=CCCC1)N(Cc1ccncc1)[*:1]
O=C(N[C@@H]1C=CCCC1)N(CCCO)Cc1ccncc1 c1cc(ccn1)[*:1] O=C(N[C@@H]1C=CCCC1)N(CCCO)C[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)Oc1c(N)cc(Cl)cc1Br CC[C@@H](C)[*:1] C[C@@H](Oc1c(N)cc(Cl)cc1Br)C(=O)N[*:1]
Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)[C@@H]1CCCO1 C[C@@H]([C@@H]1CCCO1)[*:1] Cc1nc2[C@@H](CCCn2n1)NC(=O)N[*:1]
Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1nc2[C@@H](CCCn2n1)NC(=O)N[C@@H](C)[*:1]
CCOC(=O)c1[nH]ncc1CN1C[C@H](C)S[C@H](C)C1 CCOC(=O)[*:1] C[C@H]1CN(Cc2cn[nH]c2[*:1])C[C@@H](C)S1
CC(C)NC(=O)C[C@H](C[NH3+])N1CCOC(C)(C)C1 CC(C)[*:1] CC1(C)CN(CCO1)[C@@H](C[NH3+])CC(=O)N[*:1]
CC(C)NC(=O)C[C@H](C[NH3+])N1CCOC(C)(C)C1 CC(C)NC(=O)[*:1] CC1(C)CN(CCO1)[C@@H](C[NH3+])C[*:1]
CC[C@H](C(=O)Nc1cc(C)nn1-c1nc([O-])c2cnn(-c3ccc(C)cc3)c2n1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1cc(C)nn1-c1nc([O-])c2cnn(-c3ccc(C)cc3)c2n1)[*:1]
CC[C@H](C(=O)Nc1cc(C)nn1-c1nc([O-])c2cnn(-c3ccc(C)cc3)c2n1)c1ccccc1 Cc1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1cc(C)nn1-c1nc([O-])c2cnn(c2n1)[*:1])c1ccccc1
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1Cl c1ccc(cc1)C[*:1] COc1ccccc1NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1Cl c1ccc(cc1)[*:1] COc1ccccc1NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC[*:1]
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1Cl COc1ccccc1[*:1] O=C(NCc1ccccc1)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
COC[C@H](N[C@@H](C)c1sc(C(C)C)nc1C)c1ccccc1 CC(C)[*:1] COC[C@H](N[C@@H](C)c1sc(nc1C)[*:1])c1ccccc1
COC[C@H](N[C@@H](C)c1sc(C(C)C)nc1C)c1ccccc1 c1ccc(cc1)[*:1] COC[C@H](N[C@@H](C)c1sc(nc1C)C(C)C)[*:1]
COC[C@H](N[C@@H](C)c1sc(C(C)C)nc1C)c1ccccc1 COC[*:1] Cc1nc(sc1[C@H](C)N[C@H](c1ccccc1)[*:1])C(C)C
Cc1ccccc1OC[C@H](O)Cn1nnc2ccccc2c1=O Cc1ccccc1[*:1] O=c1c2ccccc2nnn1C[C@@H](O)CO[*:1]
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)CNC(=O)C1CCN(CC1)S(=O)(=O)c1cn(cn1)[*:1]
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc1 Cc1ccc(cc1)C[*:1] CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
C=CCc1ccc(O[C@@H](C)c2nc3ccccc3[nH]2)c(OC)c1 C=CC[*:1] COc1cc(ccc1O[C@@H](C)c1nc2ccccc2[nH]1)[*:1]
C[NH+]1CCC(NC(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] C[NH+]1CCC(CC1)NC(=O)c1cccc(c1)[*:1]
O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1cccnc1-n1cccn1 c1cnn(c1)[*:1] O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1cccnc1[*:1]
Cc1ccc(F)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 O=c1[nH]c2ccc(cc2[nH]1)[*:1] Cc1ccc(F)cc1NC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1ccc(F)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 Cc1ccc(F)cc1[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
CCS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2OC)C1 CCS[*:1] COc1c(Cl)cccc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C1)[*:1]
COCC[NH2+]Cc1ccc(C[NH3+])o1 COCC[*:1] [NH3+]Cc1ccc(C[NH2+][*:1])o1
COCC[NH2+]Cc1ccc(C[NH3+])o1 COC[*:1] [NH3+]Cc1ccc(C[NH2+]C[*:1])o1
CCOC(=O)c1cnc(-c2ccccc2)nc1N c1ccc(cc1)[*:1] CCOC(=O)c1cnc(nc1N)[*:1]
CCOC(=O)c1cnc(-c2ccccc2)nc1N CCOC(=O)[*:1] Nc1nc(ncc1[*:1])-c1ccccc1
CCS(=O)(=O)N1CCC(NC(C)=O)CC1 CC(=O)N[*:1] CCS(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccc(NC(=O)c2sc(-n3nc(C)c(Cl)c3C)nc2C)cc1C Cc1ccc(cc1C)[*:1] Cc1nc(sc1C(=O)N[*:1])-n1nc(C)c(Cl)c1C
Cc1ccc(NC(=O)c2sc(-n3nc(C)c(Cl)c3C)nc2C)cc1C Cc1nn(c(C)c1Cl)[*:1] Cc1ccc(cc1C)NC(=O)c1sc(nc1C)[*:1]
Cc1cc(N2CCC[C@H](CCNS(C)(=O)=O)C2)ncn1 CS(=O)(=O)NC[*:1] Cc1cc(ncn1)N1CCC[C@@H](C1)C[*:1]
Cc1cc(N2CCC[C@H](CCNS(C)(=O)=O)C2)ncn1 CS(=O)(=O)N[*:1] Cc1cc(ncn1)N1CCC[C@H](CC[*:1])C1
CC1=C(CCN2C=[NH+][C@@H](c3ccccc3)[C@@H]2c2cccc(C#N)c2)[C@H](C)N=N1 c1ccc(cc1)[*:1] CC1N=N[C@@H](C)C=1CCN1C=[NH+][C@@H]([C@@H]1c1cccc(C#N)c1)[*:1]
CC1=C(CCN2C=[NH+][C@@H](c3ccccc3)[C@@H]2c2cccc(C#N)c2)[C@H](C)N=N1 N#Cc1cccc(c1)[*:1] CC1N=N[C@@H](C)C=1CCN1C=[NH+][C@@H](c2ccccc2)[C@H]1[*:1]
C[C@H](CC(=O)c1cccc(F)c1)C(=O)N1CCc2c(F)ccc(F)c2C1 Fc1cccc(c1)[*:1] C[C@H](CC(=O)[*:1])C(=O)N1CCc2c(F)ccc(F)c2C1
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC(C)C)c2)CC1 CC(C)C[*:1] CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC(C)C)c2)CC1 CC(C)[*:1] CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NC[*:1]
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC(C)C)c2)CC1 CC(C)CNC(=O)[*:1] CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CCN(CC1CCN(C(=O)NCc2ccccn2)CC1)C(=O)OC(C)(C)C c1ccc(C[*:1])nc1 CCN(CC1CCN(CC1)C(=O)N[*:1])C(=O)OC(C)(C)C
CCN(CC1CCN(C(=O)NCc2ccccn2)CC1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CCN(CC1CCN(CC1)C(=O)NCc1ccccn1)C(=O)O[*:1]
CCN(CC1CCN(C(=O)NCc2ccccn2)CC1)C(=O)OC(C)(C)C c1ccc(nc1)[*:1] CCN(CC1CCN(CC1)C(=O)NC[*:1])C(=O)OC(C)(C)C
Cc1c(C(=O)NCC2CCN(C(=O)c3ccccn3)CC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NCC1CCN(CC1)C(=O)c1ccccn1
Cc1c(C(=O)NCC2CCN(C(=O)c3ccccn3)CC2)cccc1[N+](=O)[O-] c1ccc(nc1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NCC1CCN(CC1)C(=O)[*:1]
O=C(NC[C@]1(c2ccccc2)CCCOCC1)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C(NC[C@@]1(CCCOCC1)c1ccccc1)[*:1]
O=C(NC[C@]1(c2ccccc2)CCCOCC1)c1ccc(F)cc1Cl c1ccc(cc1)[*:1] O=C(NC[C@@]1(CCCOCC1)[*:1])c1ccc(F)cc1Cl
O=C1CCC(=O)N1CCN1CCN(Cc2cc(Cl)ccc2F)CC1 O=C1CCC(=O)N1C[*:1] Fc1ccc(Cl)cc1CN1CCN(CC1)C[*:1]
O=C1CCC(=O)N1CCN1CCN(Cc2cc(Cl)ccc2F)CC1 Fc1ccc(Cl)cc1[*:1] O=C1CCC(=O)N1CCN1CCN(CC1)C[*:1]
O=C1CCC(=O)N1CCN1CCN(Cc2cc(Cl)ccc2F)CC1 O=C1CCC(=O)N1[*:1] Fc1ccc(Cl)cc1CN1CCN(CC1)CC[*:1]
CN(C(=O)CS(=O)(=O)Cc1cccc(OC(F)F)c1)c1ccccc1 FC(F)O[*:1] CN(C(=O)CS(=O)(=O)Cc1cccc(c1)[*:1])c1ccccc1
CN(C(=O)CS(=O)(=O)Cc1cccc(OC(F)F)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CS(=O)(=O)Cc1cccc(c1)OC(F)F)[*:1]
CN(C(=O)CS(=O)(=O)Cc1cccc(OC(F)F)c1)c1ccccc1 FC(F)[*:1] CN(C(=O)CS(=O)(=O)Cc1cccc(c1)O[*:1])c1ccccc1
O=C(CSc1ncn[nH]1)Nc1ccccc1O c1n[nH]c(n1)[*:1] O=C(CS[*:1])Nc1ccccc1O
CCOC(=O)[C@@H]1S/C(=N\c2ccc(Cl)cc2Cl)N=C1C CCOC(=O)[*:1] CC1=N/C(=N/c2ccc(Cl)cc2Cl)S[C@H]1[*:1]
CC(C)(C)Oc1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)cc1 NC(=O)C[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)O[*:1]
CC(C)(C)Oc1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)cc1 CC(C)(C)O[*:1] NC(=O)COc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CC(C)(C)Oc1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)cc1 NC(=O)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)OC[*:1]
CC(C)(C)Oc1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)cc1 NC(=O)CO[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)Oc1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)cc1 CC(C)(C)[*:1] NC(=O)COc1ccc(cc1)NC(=O)c1ccc(cc1)O[*:1]
C[C@H]1CC(=O)N(CCCS(C)(=O)=O)C[C@H]1[NH3+] CS(=O)(=O)C[*:1] C[C@H]1CC(=O)N(CC[*:1])C[C@H]1[NH3+]
C[C@H]1CC(=O)N(CCCS(C)(=O)=O)C[C@H]1[NH3+] CS(=O)(=O)[*:1] C[C@H]1CC(=O)N(CCC[*:1])C[C@H]1[NH3+]
Cc1ccc(-c2cc3c4nn(CC(=O)Nc5ccccc5C)c(=O)n4ccn3n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)Cn1nc2c3cc(nn3ccn2c1=O)[*:1]
Cc1ccc(-c2cc3c4nn(CC(=O)Nc5ccccc5C)c(=O)n4ccn3n2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)-c1cc2c3nn(CC(=O)N[*:1])c(=O)n3ccn2n1
Cc1ccc(-c2cc3c4nn(CC(=O)Nc5ccccc5C)c(=O)n4ccn3n2)cc1 Cc1ccccc1NC(=O)[*:1] Cc1ccc(cc1)-c1cc2c3nn(C[*:1])c(=O)n3ccn2n1
CCc1cccc(C)c1NC(=O)C[NH+](CC)Cc1ccc(Br)s1 Brc1ccc(C[*:1])s1 CCc1cccc(C)c1NC(=O)C[NH+](CC)[*:1]
CCc1cccc(C)c1NC(=O)C[NH+](CC)Cc1ccc(Br)s1 Brc1ccc(s1)[*:1] CCc1cccc(C)c1NC(=O)C[NH+](CC)C[*:1]
C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1)[*:1]
Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1[*:1]
Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1C(F)(F)F Nc1nonc1[*:1] O=C(Cn1c(nc2ccccc21)[*:1])Nc1ccccc1C(F)(F)F
CC(C)[C@@H](N[C@H](C)c1cc2ccccc2o1)c1nc(-c2nc[nH]n2)no1 c1nc(n[nH]1)[*:1] CC(C)[C@@H](N[C@H](C)c1cc2ccccc2o1)c1nc(no1)[*:1]
CC(C)[C@@H](N[C@H](C)c1cc2ccccc2o1)c1nc(-c2nc[nH]n2)no1 CC(C)[*:1] C[C@@H](N[C@@H](c1nc(no1)-c1nc[nH]n1)[*:1])c1cc2ccccc2o1
N#C[C@@H]1COCCN1C(=O)c1ccc(SCc2ccccc2)cc1 c1ccc(cc1)[*:1] N#C[C@@H]1COCCN1C(=O)c1ccc(cc1)SC[*:1]
N#C[C@@H]1COCCN1C(=O)c1ccc(SCc2ccccc2)cc1 c1ccc(cc1)CS[*:1] N#C[C@@H]1COCCN1C(=O)c1ccc(cc1)[*:1]
N#C[C@@H]1COCCN1C(=O)c1ccc(SCc2ccccc2)cc1 c1ccc(cc1)C[*:1] N#C[C@@H]1COCCN1C(=O)c1ccc(cc1)S[*:1]
C[C@H](OC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@H](OC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)[*:1]
COc1cc(Br)c(CC(=O)NCC2CC2)cc1OC C1CC1[*:1] COc1cc(Br)c(cc1OC)CC(=O)NC[*:1]
COc1cc(Br)c(CC(=O)NCC2CC2)cc1OC C1CC1C[*:1] COc1cc(Br)c(cc1OC)CC(=O)N[*:1]
CC(C)(C)NC(=O)CSc1cc(F)ccc1N CC(C)(C)[*:1] Nc1ccc(F)cc1SCC(=O)N[*:1]
CC(C)=CC(=O)OCC(=O)N1CC[C@H](C)Sc2ccccc21 CC(C)=C[*:1] C[C@H]1CCN(C(=O)COC(=O)[*:1])c2ccccc2S1
CC(C)=CC(=O)OCC(=O)N1CC[C@H](C)Sc2ccccc21 CC(C)=CC(=O)O[*:1] C[C@H]1CCN(C(=O)C[*:1])c2ccccc2S1
CC(C)CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 CC(C)CNC(=O)[*:1] C[C@@H](N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)[*:1]
CC(C)CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 CC(C)C[*:1] C[C@H](C(=O)N[*:1])N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2
CC(C)CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 CC(C)CNC(=O)[C@@H](C)[*:1] O=C1N[C@]2(CCC(=O)N(CC2)[*:1])Nc2ccccc21
CC(C)CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 CC(C)[*:1] C[C@H](C(=O)NC[*:1])N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2
CCS(=O)(=O)N1CCC(NC(=O)C2(c3cccc(C)c3)CCCCC2)CC1 Cc1cccc(c1)[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)C1(CCCCC1)[*:1]
CCC(=O)NCCc1csc([C@@H]2CCCN(C(=O)CC)C2)n1 CCC(=O)NC[*:1] CCC(=O)N1CCC[C@H](C1)c1nc(cs1)C[*:1]
CCC(=O)NCCc1csc([C@@H]2CCCN(C(=O)CC)C2)n1 CCC(=O)NCC[*:1] CCC(=O)N1CCC[C@H](C1)c1nc(cs1)[*:1]
CCC(=O)NCCc1csc([C@@H]2CCCN(C(=O)CC)C2)n1 CCC(=O)N[*:1] CCC(=O)N1CCC[C@H](C1)c1nc(cs1)CC[*:1]
O=S(=O)(/N=C(\[O-])CCOCC(F)(F)F)C1CCCC1 FC(F)(F)[*:1] O=S(=O)(/N=C(\[O-])CCOC[*:1])C1CCCC1
O=S(=O)(/N=C(\[O-])CCOCC(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] O=S(=O)(/N=C(\[O-])CCOCC(F)(F)F)[*:1]
O=S(=O)(/N=C(\[O-])CCOCC(F)(F)F)C1CCCC1 FC(F)(F)CO[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])C1CCCC1
O=S(=O)(/N=C(\[O-])CCOCC(F)(F)F)C1CCCC1 FC(F)(F)C[*:1] O=S(=O)(/N=C(\[O-])CCO[*:1])C1CCCC1
O=c1oc(-c2ccco2)nn1Cc1nnc(-c2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] O=c1oc(nn1Cc1nnc(o1)[*:1])-c1ccco1
O=c1oc(-c2ccco2)nn1Cc1nnc(-c2cccc(Cl)c2)o1 c1coc(c1)[*:1] O=c1oc(nn1Cc1nnc(o1)-c1cccc(Cl)c1)[*:1]
C[C@@H]1CCCCN1C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 C1CCCN(CC1)[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[C@@H]1CCCCN1C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(c(c1)[*:1])N1CCCCCC1
C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cn(C)nc1-c1cccs1 c1csc(c1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cn(C)nc1[*:1]
CC(C)Oc1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cn1 NC(=O)[*:1] CC(C)Oc1ccc(cn1)C(=O)N1C[C@@H](CC[C@H]1C)[*:1]
CC(C)Oc1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cn1 CC(C)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)c1ccc(nc1)O[*:1])C(N)=O
CC(C)Oc1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cn1 CC(C)O[*:1] C[C@@H]1CC[C@@H](CN1C(=O)c1ccc(nc1)[*:1])C(N)=O
CC[C@@H]1C(=O)NCCN1C(=O)Nc1nc(C(C)C)nn1C CC(C)[*:1] CC[C@@H]1C(=O)NCCN1C(=O)Nc1nc(nn1C)[*:1]
Cn1c(=O)c2ccccc2n2c(CN3CCc4sccc4[C@@H]3c3cccs3)nnc12 c1csc(c1)[*:1] Cn1c(=O)c2ccccc2n2c(CN3CCc4sccc4[C@H]3[*:1])nnc12
O=C(N[C@H](CO)c1ccco1)c1conc1-c1ccc(Cl)cc1 c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1conc1-c1ccc(Cl)cc1
O=C(N[C@H](CO)c1ccco1)c1conc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(N[C@H](CO)c1ccco1)c1conc1[*:1]
O=C(NCCCC(=O)N1CCc2ccccc21)NCc1cccs1 c1csc(c1)C[*:1] O=C(NCCCC(=O)N1CCc2ccccc21)N[*:1]
O=C(NCCCC(=O)N1CCc2ccccc21)NCc1cccs1 c1csc(c1)[*:1] O=C(NCCCC(=O)N1CCc2ccccc21)NC[*:1]
C[C@H](C[C@H]1CCCO1)[NH2+]CCc1cc2ccccc2o1 C1CO[C@H](C1)C[*:1] C[C@H]([NH2+]CCc1cc2ccccc2o1)[*:1]
C[C@H](C[C@H]1CCCO1)[NH2+]CCc1cc2ccccc2o1 C1CO[C@H](C1)[*:1] C[C@H](C[*:1])[NH2+]CCc1cc2ccccc2o1
CC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 CN(C)S(=O)(=O)[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CN(C)C1(C[NH2+]Cc2cn(C)nc2-c2ccncc2)CCOCC1 CN(C)[*:1] Cn1cc(C[NH2+]CC2(CCOCC2)[*:1])c(n1)-c1ccncc1
CN(C)C1(C[NH2+]Cc2cn(C)nc2-c2ccncc2)CCOCC1 c1cc(ccn1)[*:1] CN(C)C1(CCOCC1)C[NH2+]Cc1cn(C)nc1[*:1]
CCOc1cc2c(cc1NC(=O)c1cccc(OC)c1F)O[C@@H](C)C2 CCO[*:1] COc1cccc(C(=O)Nc2cc3O[C@@H](C)Cc3cc2[*:1])c1F
CCCC(=O)NC1CCN(C(=O)CCC)CC1 CCC[*:1] CCCC(=O)N1CCC(CC1)NC(=O)[*:1]
CCCC(=O)NC1CCN(C(=O)CCC)CC1 CCC[*:1] CCCC(=O)NC1CCN(CC1)C(=O)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc(N(C)CC)c1 CC[C@H](C)[*:1] CCN(C)c1cccc(c1)NC(=O)C(=O)N[C@H](C)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc(N(C)CC)c1 CCN(C)[*:1] CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CCc1nn(C)c(OC)c1CN1CCC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)[*:1] CCc1nn(C)c(OC)c1CN1CCC[NH+](CC1)C[*:1]
CCc1nn(C)c(OC)c1CN1CCC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] CCc1nn(C)c(OC)c1CN1CCC[NH+](CC1)[*:1]
COc1ccc([C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](NC(=O)N1CCC[C@H](C1)[NH+]1CCCC1)[*:1]
COc1ccc([C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N1CCC[C@H](C1)[NH+]1CCCC1)[*:1]
O=C(NCC1(O)CCCC1)Nc1ccc(Cl)cc1 OC1(CCCC1)[*:1] O=C(NC[*:1])Nc1ccc(Cl)cc1
CCOc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3ccc(OC)cc3c2=O)cc1 Cc1cccc(c1)C[*:1] CCOc1ccc(cc1)C(=O)c1cn(c2ccc(cc2c1=O)OC)[*:1]
CCOc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3ccc(OC)cc3c2=O)cc1 CCOc1ccc(cc1)[*:1] COc1ccc2c(c1)c(=O)c(cn2Cc1cccc(C)c1)C(=O)[*:1]
CCOc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3ccc(OC)cc3c2=O)cc1 Cc1cccc(c1)[*:1] CCOc1ccc(cc1)C(=O)c1cn(C[*:1])c2ccc(cc2c1=O)OC
CCOc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3ccc(OC)cc3c2=O)cc1 CCO[*:1] COc1ccc2c(c1)c(=O)c(cn2Cc1cccc(C)c1)C(=O)c1ccc(cc1)[*:1]
C[C@@H](Cn1cccn1)OC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C C[C@@H]1C[C@H]1C(=O)N[*:1] C[C@@H](Cn1cccn1)OC(=O)c1cc(F)ccc1[*:1]
C[C@@H](Cn1cccn1)OC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C C[C@@H]1C[C@H]1[*:1] C[C@@H](Cn1cccn1)OC(=O)c1cc(F)ccc1NC(=O)[*:1]
C[C@@H](Cn1cccn1)OC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C C[C@@H](Cn1cccn1)[*:1] C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)O[*:1]
C[C@@H](Cn1cccn1)OC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C c1cnn(c1)C[*:1] C[C@@H](OC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C)[*:1]
C[C@@H](Cn1cccn1)OC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C c1cnn(c1)[*:1] C[C@@H](C[*:1])OC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C
CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4cccc(C)c4)c(=O)n(C)c3nc12 Cc1cccc(c1)C[*:1] CC[C@@H](C)n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4cccc(C)c4)c(=O)n(C)c3nc12 Cc1cccc(c1)[*:1] CC[C@@H](C)n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CN(CC(=O)c1ccco1)C1CC[NH2+]CC1 c1coc(c1)[*:1] CN(CC(=O)[*:1])C1CC[NH2+]CC1
O=C1COc2cc(C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)ccc2N1 c1coc(c1)C[*:1] O=C1COc2cc(ccc2N1)C(=O)Nc1cccc(c1)S(=O)(=O)N[*:1]
O=C1COc2cc(C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)ccc2N1 c1coc(c1)[*:1] O=C1COc2cc(ccc2N1)C(=O)Nc1cccc(c1)S(=O)(=O)NC[*:1]
O=C1COc2cc(C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)ccc2N1 O=S(=O)(NCc1ccco1)[*:1] O=C1COc2cc(ccc2N1)C(=O)Nc1cccc(c1)[*:1]
COc1cc(C(OC)OC)cc(OC)c1OC COC(OC)[*:1] COc1cc(cc(OC)c1OC)[*:1]
Cc1c([C@H](C)NC(=O)Cc2ccc[nH]2)oc2ccc(F)cc12 c1c[nH]c(c1)[*:1] Cc1c(oc2ccc(F)cc12)[C@H](C)NC(=O)C[*:1]
Cc1c([C@H](C)NC(=O)Cc2ccc[nH]2)oc2ccc(F)cc12 c1c[nH]c(c1)C[*:1] Cc1c(oc2ccc(F)cc12)[C@H](C)NC(=O)[*:1]
CC(=O)N(C)c1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 CC(=O)N(C)[*:1] O=C(COc1ccc2ccccc2c1Br)Nc1cccc(c1)[*:1]
O=S(=O)(c1cccn2c(SCc3c(F)cccc3Cl)nnc12)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] Fc1cccc(Cl)c1CSc1nnc2c(cccn12)[*:1]
O=S(=O)(c1cccn2c(SCc3c(F)cccc3Cl)nnc12)N1CCCC1 Fc1cccc(Cl)c1C[*:1] O=S(=O)(c1cccn2c(nnc12)S[*:1])N1CCCC1
O=S(=O)(c1cccn2c(SCc3c(F)cccc3Cl)nnc12)N1CCCC1 Fc1cccc(Cl)c1[*:1] O=S(=O)(c1cccn2c(nnc12)SC[*:1])N1CCCC1
Cc1cc2ncc([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c(C)n2n1 CC(C)[C@@H](O)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)[NH2+]CC(C)(C)[*:1]
Cc1cc2ncc([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)c(C)n2n1 CC(C)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)[NH2+]CC(C)(C)[C@H](O)[*:1]
COc1ccccc1-n1nnnc1SCc1noc(C(C)(C)C)n1 COc1ccccc1[*:1] CC(C)(C)c1nc(CSc2nnnn2[*:1])no1
COc1ccccc1-n1nnnc1SCc1noc(C(C)(C)C)n1 CC(C)(C)[*:1] COc1ccccc1-n1nnnc1SCc1noc(n1)[*:1]
CC1(C)C(=O)NCCN1C(=O)CSc1nccc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CC1(C)C(=O)NCCN1C(=O)CSc1nccc(n1)[*:1]
COCCNC(=O)NC(=O)CNc1cccc(F)c1C COCC[*:1] Cc1c(F)cccc1NCC(=O)NC(=O)N[*:1]
COCCNC(=O)NC(=O)CNc1cccc(F)c1C COC[*:1] Cc1c(F)cccc1NCC(=O)NC(=O)NC[*:1]
CC[C@H](C)[C@H](C(=O)[O-])[NH+]1CC2(CC2)C1 CC[C@H](C)[*:1] O=C([O-])[C@H]([NH+]1CC2(CC2)C1)[*:1]
CC[C@H](C)[C@H](C(=O)[O-])[NH+]1CC2(CC2)C1 O=C([O-])[*:1] CC[C@H](C)[C@H]([NH+]1CC2(CC2)C1)[*:1]
CC[C@H]1CC[C@H]([NH+]2CCN([C@@H](C)C(N)=O)CC2)C1 NC(=O)[*:1] CC[C@H]1CC[C@@H](C1)[NH+]1CCN(CC1)[C@@H](C)[*:1]
CC[C@H]1CC[C@H]([NH+]2CCN([C@@H](C)C(N)=O)CC2)C1 C[C@@H](C(N)=O)[*:1] CC[C@H]1CC[C@@H](C1)[NH+]1CCN(CC1)[*:1]
Cc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccccc1C Cc1ccccc1[*:1] Cc1ccccc1OCC(=O)NC(=S)NNC(=O)[*:1]
Cc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccccc1C Cc1ccccc1O[*:1] Cc1ccccc1C(=O)NNC(=S)NC(=O)C[*:1]
Cc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccccc1C Cc1ccccc1[*:1] Cc1ccccc1C(=O)NNC(=S)NC(=O)CO[*:1]
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)c(O)c(OC)c1 COc1ccccc1[*:1] COc1cc(cc(Br)c1O)[C@@H]1C(C(=O)N[*:1])=C(C)Nc2nnnn21
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)c(O)c(OC)c1 COc1cc(cc(Br)c1O)[*:1] COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1[*:1]
COc1cccc(C(=O)NCC(=O)Nc2ccon2)c1 c1cc(no1)[*:1] COc1cccc(c1)C(=O)NCC(=O)N[*:1]
O=C1N[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)Nc2ccc(Cl)cc21 O=[N+]([O-])[*:1] O=C1N[C@H](Nc2ccc(Cl)cc21)c1cc2OCCOc2cc1[*:1]
CNS(=O)(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 CNS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2ccccc2c1
Cc1cnc(C(=O)NCC[C@@H]2CCCO2)cn1 C1CO[C@@H](C1)[*:1] Cc1cnc(cn1)C(=O)NCC[*:1]
Cc1c(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c(=O)n(n1C)[*:1]
C[C@@H]1CCC[C@@H](NC(=S)NNC(=O)c2cccc(-n3cccn3)n2)[C@@H]1C c1cnn(c1)[*:1] C[C@@H]1CCC[C@@H](NC(=S)NNC(=O)c2cccc(n2)[*:1])[C@@H]1C
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C3CC3)C3CC3)CC2)c(C)c1 C1CC1C(C1CC1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C3CC3)C3CC3)CC2)c(C)c1 C1CC1[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC(C1CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C3CC3)C3CC3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NC(C1CC1)C1CC1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1nc(Cl)sc1C(=O)NCc1ccccc1OC(F)(F)F FC(F)(F)O[*:1] Cc1nc(Cl)sc1C(=O)NCc1ccccc1[*:1]
Cc1nc(Cl)sc1C(=O)NCc1ccccc1OC(F)(F)F Cc1nc(Cl)sc1[*:1] O=C(NCc1ccccc1OC(F)(F)F)[*:1]
Cc1nc(Cl)sc1C(=O)NCc1ccccc1OC(F)(F)F FC(F)(F)[*:1] Cc1nc(Cl)sc1C(=O)NCc1ccccc1O[*:1]
CSCc1cc(NC(=O)N2CCC[C@@H](CO)C2)ccc1Cl CSC[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])N1CCC[C@@H](CO)C1
O=C(OCc1nc2ccccc2s1)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O c1ccc2sc(nc2c1)[*:1] O=C(OC[*:1])[C@@H]1CCN(C1=O)c1cc(F)cc(F)c1
O=C(OCc1nc2ccccc2s1)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O Fc1cc(F)cc(c1)[*:1] O=C(OCc1nc2ccccc2s1)[C@@H]1CCN(C1=O)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H](C)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H](C)c1ccc(-c2cncnc2)cc1 CC(C)[*:1] C[C@H](NC(=O)N(C[C@H]1C[C@@H]1C)[*:1])c1ccc(cc1)-c1cncnc1
CC1=NN[C@@H](C(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)C1 Cc1ccc(cc1Cl)[*:1] CC1C[C@@H](NN=1)C(=O)N/N=C/c1ccc(o1)[*:1]
COc1ccc2c(c1)Cc1sc(NC(C)=O)nc1-2 CC(=O)N[*:1] COc1ccc2c(c1)Cc1sc(nc1-2)[*:1]
Cc1cnn(Cc2ccc(NC(=O)N[C@](C)(CO)C3CCCCC3)cc2)c1 Cc1cnn(c1)[*:1] C[C@](CO)(NC(=O)Nc1ccc(cc1)C[*:1])C1CCCCC1
Cc1cnn(Cc2ccc(NC(=O)N[C@](C)(CO)C3CCCCC3)cc2)c1 Cc1cnn(c1)C[*:1] C[C@](CO)(NC(=O)Nc1ccc(cc1)[*:1])C1CCCCC1
Cc1cnn(Cc2ccc(NC(=O)N[C@](C)(CO)C3CCCCC3)cc2)c1 C1CCC(CC1)[*:1] Cc1cnn(c1)Cc1ccc(cc1)NC(=O)N[C@](C)(CO)[*:1]
COc1cc(I)c(CC#N)cc1OC N#CC[*:1] COc1cc(I)c(cc1OC)[*:1]
C[C@H](N[C@H](C)C(=O)N[C@H](C)c1ccccc1)c1ccc(F)c(F)c1 c1ccc(cc1)[*:1] C[C@H](N[C@H](C)C(=O)N[C@H](C)[*:1])c1ccc(F)c(F)c1
C[C@H](N[C@H](C)C(=O)N[C@H](C)c1ccccc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](N[C@H](C)C(=O)N[C@H](C)c1ccccc1)[*:1]
C[C@H](N[C@H](C)C(=O)N[C@H](C)c1ccccc1)c1ccc(F)c(F)c1 C[C@H](c1ccccc1)[*:1] C[C@H](N[C@H](C)C(=O)N[*:1])c1ccc(F)c(F)c1
O=C(OCCc1c[nH]nc1C(F)(F)F)[C@H]1C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(OCCc1c[nH]nc1C(F)(F)F)[C@H]1C[C@@H]1[*:1]
O=C(OCCc1c[nH]nc1C(F)(F)F)[C@H]1C[C@H]1c1cccc(F)c1 FC(F)(F)[*:1] O=C(OCCc1c[nH]nc1[*:1])[C@H]1C[C@H]1c1cccc(F)c1
C[C@H]1CCN(C(=O)Cc2cccs2)[C@H](C)C1 c1csc(c1)[*:1] C[C@H]1CCN(C(=O)C[*:1])[C@H](C)C1
Cc1cccc(NC(=O)Nc2ccc3nc(NS(C)(=O)=O)sc3c2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)Nc1nc2ccc(cc2s1)NC(=O)N[*:1]
Cc1cccc(NC(=O)Nc2ccc3nc(NS(C)(=O)=O)sc3c2)c1 CS(=O)(=O)N[*:1] Cc1cccc(c1)NC(=O)Nc1ccc2nc(sc2c1)[*:1]
CCOC(=O)c1cccc(N2CCc3sc(Br)cc3C2)n1 CCOC(=O)[*:1] Brc1cc2CN(CCc2s1)c1cccc(n1)[*:1]
CC(C)c1cc(C(=O)OCCNS(C)(=O)=O)nn1C CS(=O)(=O)NC[*:1] CC(C)c1cc(nn1C)C(=O)OC[*:1]
CC(C)c1cc(C(=O)OCCNS(C)(=O)=O)nn1C CS(=O)(=O)N[*:1] CC(C)c1cc(nn1C)C(=O)OCC[*:1]
CC(C)c1cc(C(=O)OCCNS(C)(=O)=O)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)OCCNS(C)(=O)=O
COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-n2cccc2)c1 COc1cccc(c1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(n1-n1cccc1)[*:1]
COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-n2cccc2)c1 Cc1ccc(C)c(c1)[*:1] COc1cccc(c1)-c1nnc(SCC(=O)N[*:1])n1-n1cccc1
CCc1cccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)c1O O=C(N[*:1])N1CCCC1 CCc1cccc(C(=O)Nc2ccccc2[*:1])c1O
COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)C(C)C CC(C)[*:1] COc1cc(ccc1NC(=O)[*:1])N1CCn2c(C1)nc1cc(Cl)ccc12
COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)C(C)C CC(C)C(=O)N[*:1] COc1cc(ccc1[*:1])N1CCn2c(C1)nc1cc(Cl)ccc12
CCCOc1ccc([C@@H](C)NC(=O)c2cc(C)n(C)n2)cc1OC Cc1cc(nn1C)[*:1] CCCOc1ccc(cc1OC)[C@@H](C)NC(=O)[*:1]
CCCOc1ccc([C@@H](C)NC(=O)c2cc(C)n(C)n2)cc1OC CCCO[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)c1cc(C)n(C)n1
CCCOc1ccc([C@@H](C)NC(=O)c2cc(C)n(C)n2)cc1OC CCC[*:1] COc1cc(ccc1O[*:1])[C@@H](C)NC(=O)c1cc(C)n(C)n1
CC(C)[C@H](Sc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 c1ccc(cc1)[*:1] CC(C)[C@H](S[*:1])C(=O)N1CC(=O)Nc2ccccc21
CC(C)[C@H](Sc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 CC(C)[*:1] O=C1CN(C(=O)[C@@H](Sc2ccccc2)[*:1])c2ccccc2N1
CC(C)[C@H](Sc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 c1ccc(cc1)S[*:1] CC(C)[C@H](C(=O)N1CC(=O)Nc2ccccc21)[*:1]
CCOc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)c1nc2ncccn2n1 CCOc1ccccc1[*:1] O=C(c1nc2ncccn2n1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
CCOc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)c1nc2ncccn2n1 CCO[*:1] O=C(c1nc2ncccn2n1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccccc1[*:1]
CCOc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)c1nc2ncccn2n1 c1cnc2nc(nn2c1)[*:1] CCOc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
COc1ccc([C@@H]2OCC[C@H]2C[NH2+]C(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)[C@@H]1OCC[C@H]1C[NH2+][*:1]
Cc1cc(F)ccc1CCNC(=O)NCc1ccc2c(c1)OCCCO2 Cc1cc(F)ccc1[*:1] O=C(NCC[*:1])NCc1ccc2OCCCOc2c1
CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C2CCCCC2)n1 C1CCC(CC1)[*:1] CCc1ccccc1-n1cc([O-])c(n1)C(=O)N(C)[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C2CCCCC2)n1 CCc1ccccc1[*:1] CN(C(=O)c1nn(cc1[O-])[*:1])C1CCCCC1
COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)o2)c2cccnc12 Cc1ccc(o1)[*:1] COc1ccc(NC(=O)C(=O)N[C@@H](C)[*:1])c2cccnc12
Cc1csc(COc2cc(Cl)ccc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1csc(COc2cc(Cl)ccc2[*:1])n1
Cc1csc(COc2cc(Cl)ccc2[N+](=O)[O-])n1 Cc1csc(n1)[*:1] O=[N+]([O-])c1ccc(Cl)cc1OC[*:1]
Cc1csc(=O)n1CC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 Cc1csc(=O)n1[*:1] O=C(C[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
C#C[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 O=[N+]([O-])[*:1] C#C[C@H](OC(=O)c1ccc(c(c1)[*:1])-n1cncn1)C1CC1
C#C[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 C1CC1[*:1] C#C[C@H](OC(=O)c1ccc(c(c1)[N+](=O)[O-])-n1cncn1)[*:1]
C#C[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 c1ncn(n1)[*:1] C#C[C@H](OC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1])C1CC1
CCC1(CNC(=O)C(=O)Nc2cccc3cnccc23)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])C(=O)Nc1cccc2cnccc12
CCC1(CNC(=O)C(=O)Nc2cccc3cnccc23)CC1 CCC1(CC1)C[*:1] O=C(Nc1cccc2cnccc12)C(=O)N[*:1]
Cc1cccc(NC(=S)NC(=O)Cc2cccc3ccccc23)c1C Cc1cccc(c1C)[*:1] O=C(Cc1cccc2ccccc12)NC(=S)N[*:1]
Cc1ccc2[nH]cc(CCC(=O)N3CCC(OCc4ccc(F)cc4)CC3)c2c1 Fc1ccc(cc1)CO[*:1] Cc1ccc2[nH]cc(CCC(=O)N3CCC(CC3)[*:1])c2c1
Cc1ccc2[nH]cc(CCC(=O)N3CCC(OCc4ccc(F)cc4)CC3)c2c1 Fc1ccc(cc1)C[*:1] Cc1ccc2[nH]cc(CCC(=O)N3CCC(CC3)O[*:1])c2c1
Cc1ccc2[nH]cc(CCC(=O)N3CCC(OCc4ccc(F)cc4)CC3)c2c1 Fc1ccc(cc1)[*:1] Cc1ccc2[nH]cc(CCC(=O)N3CCC(CC3)OC[*:1])c2c1
CCCCSc1cc2c(cc1NC(=O)CC)n(C)c(=O)n2C CCCCS[*:1] CCC(=O)Nc1cc2c(cc1[*:1])n(C)c(=O)n2C
CCCCSc1cc2c(cc1NC(=O)CC)n(C)c(=O)n2C CCC[*:1] CCC(=O)Nc1cc2c(cc1SC[*:1])n(C)c(=O)n2C
CCCCSc1cc2c(cc1NC(=O)CC)n(C)c(=O)n2C CCC(=O)N[*:1] CCCCSc1cc2c(cc1[*:1])n(C)c(=O)n2C
CCCCSc1cc2c(cc1NC(=O)CC)n(C)c(=O)n2C CCCC[*:1] CCC(=O)Nc1cc2c(cc1S[*:1])n(C)c(=O)n2C
COc1ccc(-c2cccc(C(=O)NCC(=O)[O-])c2)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1cccc(c1)C(=O)NC[*:1]
COc1ccc(-c2cccc(C(=O)NCC(=O)[O-])c2)cc1 O=C([O-])C[*:1] COc1ccc(cc1)-c1cccc(c1)C(=O)N[*:1]
COc1ccc(-c2cccc(C(=O)NCC(=O)[O-])c2)cc1 O=C([O-])CNC(=O)[*:1] COc1ccc(cc1)-c1cccc(c1)[*:1]
O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(/C(=C\C=C\c1ccccc1)NC(=O)[*:1])N1CCOCC1
O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Cl c1ccc(cc1)[*:1] O=C(N/C(=C/C=C[*:1])C(=O)N1CCOCC1)c1ccccc1Cl
O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Cl C(=C[*:1])c1ccccc1 O=C(NC(=C[*:1])C(=O)N1CCOCC1)c1ccccc1Cl
O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Cl O=C(N1CCOCC1)[*:1] O=C(N/C(=C/C=C/c1ccccc1)[*:1])c1ccccc1Cl
Cc1c(C(=O)NNc2ccc(F)cc2)nnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(nnn1-c1ccc(F)cc1)C(=O)NN[*:1]
Cc1c(C(=O)NNc2ccc(F)cc2)nnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)NNc1ccc(F)cc1
COc1nc2ccccc2cc1C[NH+](CCO)Cc1ccsc1 c1cc(cs1)[*:1] COc1nc2ccccc2cc1C[NH+](CCO)C[*:1]
COc1nc2ccccc2cc1C[NH+](CCO)Cc1ccsc1 c1cc(cs1)C[*:1] COc1nc2ccccc2cc1C[NH+](CCO)[*:1]
CCCC1(CCC)SC[C@@H]2C(=O)N(Cc3ccc(C(=O)[O-])cc3)CC(=O)N21 O=C([O-])c1ccc(cc1)[*:1] CCCC1(CCC)SC[C@@H]2C(=O)N(CC(=O)N21)C[*:1]
CCCC1(CCC)SC[C@@H]2C(=O)N(Cc3ccc(C(=O)[O-])cc3)CC(=O)N21 CCC[*:1] CCCC1(SC[C@@H]2C(=O)N(CC(=O)N21)Cc1ccc(cc1)C(=O)[O-])[*:1]
CCCC1(CCC)SC[C@@H]2C(=O)N(Cc3ccc(C(=O)[O-])cc3)CC(=O)N21 O=C([O-])[*:1] CCCC1(CCC)SC[C@@H]2C(=O)N(CC(=O)N21)Cc1ccc(cc1)[*:1]
CNC(=O)c1c(C)cccc1NC(=O)[C@H](C)[NH+](C)C CNC(=O)[*:1] Cc1cccc(NC(=O)[C@H](C)[NH+](C)C)c1[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)NCC[C@H](O)c1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)NCC[C@H](O)c1ccccc1)[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)NCC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(C[*:1])sc1C(=O)NCC[C@H](O)c1ccccc1
Cc1nc(Cc2ccccc2)sc1C(=O)NCC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(Cc2ccccc2)sc1C(=O)NCC[C@H](O)[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)NCC[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] Cc1nc(Cc2ccccc2)sc1C(=O)NCC[*:1]
CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)CC1=O CCc1ccccc1[*:1] Cc1ccc(C)n1NC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)CC1=O Cc1ccc(C)n1NC(=O)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
O=C(CNC(=O)c1cccc(Br)c1)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(CNC(=O)c1cccc(Br)c1)N[*:1]
COc1ccc([C@@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C(C)C)cc1 CC(C)(C)c1nnc(s1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)C(=O)N[*:1])C(C)C
COc1ccc([C@@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)C(=O)Nc1nnc(s1)C(C)(C)C)[*:1]
COc1ccc([C@@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C(=O)Nc1nnc(s1)C(C)(C)C)[*:1]
COc1ccc([C@@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)C(=O)Nc1nnc(s1)[*:1])C(C)C
NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O NC(=O)[*:1] O=C1N[C@@](Cc2ccccc2)(C(=O)N1C[*:1])c1ccccc1
NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O c1ccc(cc1)[*:1] NC(=O)CN1C(=O)N[C@@](C[*:1])(C1=O)c1ccccc1
NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O c1ccc(cc1)[*:1] NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(C1=O)[*:1]
NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O c1ccc(cc1)C[*:1] NC(=O)CN1C(=O)N[C@@](C1=O)(c1ccccc1)[*:1]
NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O NC(=O)C[*:1] O=C1N[C@@](Cc2ccccc2)(C(=O)N1[*:1])c1ccccc1
CNC(=O)COC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 CC(C)(C)[*:1] CNC(=O)COC(=O)[C@H](C)Oc1cccc(c1)[*:1]
CNC(=O)COC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 CNC(=O)[*:1] C[C@H](Oc1cccc(c1)C(C)(C)C)C(=O)OC[*:1]
CNC(=O)COC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 CNC(=O)C[*:1] C[C@H](Oc1cccc(c1)C(C)(C)C)C(=O)O[*:1]
CC(C)OCCSc1nnnn1Cc1cccs1 c1csc(c1)C[*:1] CC(C)OCCSc1nnnn1[*:1]
CC(C)OCCSc1nnnn1Cc1cccs1 c1csc(c1)[*:1] CC(C)OCCSc1nnnn1C[*:1]
CC(C)OCCSc1nnnn1Cc1cccs1 CC(C)O[*:1] c1csc(c1)Cn1nnnc1SCC[*:1]
CC(C)OCCSc1nnnn1Cc1cccs1 CC(C)OC[*:1] c1csc(c1)Cn1nnnc1SC[*:1]
CC(C)OCCSc1nnnn1Cc1cccs1 CC(C)OCC[*:1] c1csc(c1)Cn1nnnc1S[*:1]
CC(C)OCCSc1nnnn1Cc1cccs1 CC(C)[*:1] c1csc(c1)Cn1nnnc1SCCO[*:1]
O=C(c1ccc(Br)s1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(Br)s1)N1CCCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccc(Br)s1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 Brc1ccc(s1)[*:1] O=C(N1CCCN(CC1)S(=O)(=O)c1ccc(F)cc1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1[N+](=O)[O-] CC(C)OC(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc1ccc2oc(C)c(c2c1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc2oc(C)c(C(=O)OC(C)C)c2c1
Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1[N+](=O)[O-] Cc1ccc(cc1[N+](=O)[O-])[*:1] Cc1oc2ccc(cc2c1C(=O)OC(C)C)NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1[N+](=O)[O-] CC(C)[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc1ccc2oc(C)c(C(=O)O[*:1])c2c1
CCS(=O)(=O)N1CCCc2cc(C(=O)NC3CC3)ccc21 C1CC1[*:1] CCS(=O)(=O)N1CCCc2cc(ccc21)C(=O)N[*:1]
CCS(=O)(=O)N1CCCc2cc(C(=O)NC3CC3)ccc21 O=C(NC1CC1)[*:1] CCS(=O)(=O)N1CCCc2cc(ccc21)[*:1]
CC[C@H](C)[C@@H](NC(=O)[C@@H](C)OC)C(N)=O CO[C@H](C)[*:1] CC[C@H](C)[C@@H](NC(=O)[*:1])C(N)=O
CC[C@H](C)[C@@H](NC(=O)[C@@H](C)OC)C(N)=O CC[C@H](C)[*:1] CO[C@H](C)C(=O)N[C@@H](C(N)=O)[*:1]
CC[C@H](C)[C@@H](NC(=O)[C@@H](C)OC)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@@H](NC(=O)[C@@H](C)OC)[*:1]
CCOc1ccccc1OC[C@H]1N=NC(=S)N1N CCO[*:1] NN1C(=S)N=N[C@@H]1COc1ccccc1[*:1]
O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)N1CCC[C@@H]1C[*:1]
O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)N1CCC[C@@H]1CC[*:1]
O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@@H]1CCc1ccccc1 C1CCN(C1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])N1CCC[C@@H]1CCc1ccccc1
O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)N1CCC[C@H]1[*:1]
CC[NH2+]C[C@@H]1CCCO[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CC[NH2+]C[C@@H]1CCCO[C@@H]1c1ccc(cc1)[*:1]
N#Cc1ccc(-c2noc(-c3cccc(NC(=O)C4CC4)c3)n2)nc1 C1CC1[*:1] N#Cc1ccc(nc1)-c1noc(n1)-c1cccc(c1)NC(=O)[*:1]
N#Cc1ccc(-c2noc(-c3cccc(NC(=O)C4CC4)c3)n2)nc1 N#Cc1ccc(nc1)[*:1] O=C(Nc1cccc(c1)-c1nc(no1)[*:1])C1CC1
N#Cc1ccc(-c2noc(-c3cccc(NC(=O)C4CC4)c3)n2)nc1 O=C(N[*:1])C1CC1 N#Cc1ccc(nc1)-c1noc(n1)-c1cccc(c1)[*:1]
COCC[NH2+][C@H]1CCc2c(sc3ncn(Cc4ccc(F)cc4)c(=O)c23)C1 COC[*:1] O=c1c2c3CC[C@@H](Cc3sc2ncn1Cc1ccc(F)cc1)[NH2+]C[*:1]
COCC[NH2+][C@H]1CCc2c(sc3ncn(Cc4ccc(F)cc4)c(=O)c23)C1 Fc1ccc(cc1)[*:1] COCC[NH2+][C@H]1CCc2c(C1)sc1ncn(C[*:1])c(=O)c21
COCC[NH2+][C@H]1CCc2c(sc3ncn(Cc4ccc(F)cc4)c(=O)c23)C1 Fc1ccc(cc1)C[*:1] COCC[NH2+][C@H]1CCc2c(C1)sc1ncn(c(=O)c21)[*:1]
O=C(CCNC(=O)c1ccnc2cccnc12)Nc1cccnc1 c1cncc(c1)[*:1] O=C(CCNC(=O)c1ccnc2cccnc12)N[*:1]
COC(=O)/C(C)=C/CSc1cccc(F)c1 COC(=O)[*:1] CC(=CCSc1cccc(F)c1)[*:1]
Cc1sc(NC(=O)/C=C/c2cccs2)c(C(=O)OC(C)C)c1C CC(C)[*:1] Cc1sc(NC(=O)/C=C/c2cccs2)c(C(=O)O[*:1])c1C
Cc1sc(NC(=O)/C=C/c2cccs2)c(C(=O)OC(C)C)c1C c1csc(c1)[*:1] Cc1sc(NC(=O)C=C[*:1])c(C(=O)OC(C)C)c1C
Cc1sc(NC(=O)/C=C/c2cccs2)c(C(=O)OC(C)C)c1C C(=C[*:1])c1cccs1 Cc1sc(NC(=O)[*:1])c(C(=O)OC(C)C)c1C
Cc1sc(NC(=O)/C=C/c2cccs2)c(C(=O)OC(C)C)c1C CC(C)OC(=O)[*:1] Cc1sc(NC(=O)/C=C/c2cccs2)c(c1C)[*:1]
CC(C)[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@H](CCl)C2)C1 CC(C)[*:1] [NH3+][C@H](C(=O)N1CC[C@]2(CC[C@H](CCl)C2)C1)[*:1]
C[C@@H](NC(=O)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)NCC1CCN(CC1)c1nc2ccccc2s1)[*:1]
C[C@@H](NC(=O)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NCC1CCN(CC1)c1nc2ccccc2s1)C(=O)N[*:1]
C[C@@H](NC(=O)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1)c1ccccc1 c1ccc2sc(nc2c1)[*:1] C[C@@H](NC(=O)C(=O)NCC1CCN(CC1)[*:1])c1ccccc1
CCc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(CC)cc3)n(C)n2)cc1 CCc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)c1cc(nn1C)C(=O)N[*:1]
CCc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(CC)cc3)n(C)n2)cc1 CCc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)c1cc(C(=O)N[*:1])n(C)n1
O=C(Nc1ccc(F)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)c1cccc(c1)NS(=O)(=O)[*:1]
O=C(Nc1ccc(F)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 Fc1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)NS(=O)(=O)c1ccccc1
COc1ccc([C@H]2[C@H](C(=O)NC3[NH+]=c4ccccc4=[NH+]3)c3ccccc3C(=O)N2C)cc1OC COc1ccc(cc1OC)[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)NC2[NH+]=c3ccccc3=[NH+]2)[C@@H]1[*:1]
Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1nc(-c3ccccc3)[nH]c1C)C2 c1ccc(cc1)[*:1] Cc1nc2CN(CCc2c(=O)[nH]1)C(=O)c1nc([nH]c1C)[*:1]
NC(=O)c1ccc(N2CCCN(CCC[NH3+])CC2)nc1 [NH3+]CC[*:1] NC(=O)c1ccc(nc1)N1CCCN(CC1)C[*:1]
NC(=O)c1ccc(N2CCCN(CCC[NH3+])CC2)nc1 NC(=O)[*:1] [NH3+]CCCN1CCCN(CC1)c1ccc(cn1)[*:1]
NC(=O)c1ccc(N2CCCN(CCC[NH3+])CC2)nc1 [NH3+]CCC[*:1] NC(=O)c1ccc(nc1)N1CCCN(CC1)[*:1]
Clc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 c1ccc(cc1)[*:1] Clc1cccc(c1)[C@H]1C[C@@H](Nc2ncnn21)[*:1]
Clc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 Clc1cccc(c1)[*:1] c1ccc(cc1)[C@@H]1C[C@@H](n2ncnc2N1)[*:1]
C[C@H](Sc1nnc(CN2CCCC2=O)o1)c1ccc(OC(F)F)cc1 O=C1CCCN1C[*:1] C[C@H](Sc1nnc(o1)[*:1])c1ccc(cc1)OC(F)F
C[C@H](Sc1nnc(CN2CCCC2=O)o1)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H](Sc1nnc(CN2CCCC2=O)o1)c1ccc(cc1)O[*:1]
C[C@H](Sc1nnc(CN2CCCC2=O)o1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H](Sc1nnc(CN2CCCC2=O)o1)c1ccc(cc1)[*:1]
C[C@H](Sc1nnc(CN2CCCC2=O)o1)c1ccc(OC(F)F)cc1 O=C1CCCN1[*:1] C[C@H](Sc1nnc(C[*:1])o1)c1ccc(cc1)OC(F)F
N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 FC(F)(F)[*:1] N#CCCNS(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 FC(F)(F)C[*:1] N#CCCNS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 N#CC[*:1] O=C(NCC(F)(F)F)c1ccc(cc1)S(=O)(=O)NC[*:1]
N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 N#CCC[*:1] O=C(NCC(F)(F)F)c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1n[nH]cc1CN(C)[C@@H](c1ccc(Cl)cc1)C(F)(F)F Cc1n[nH]cc1[*:1] CN(C[*:1])[C@@H](c1ccc(Cl)cc1)C(F)(F)F
Cc1n[nH]cc1CN(C)[C@@H](c1ccc(Cl)cc1)C(F)(F)F Clc1ccc(cc1)[*:1] Cc1n[nH]cc1CN(C)[C@@H](C(F)(F)F)[*:1]
Cc1n[nH]cc1CN(C)[C@@H](c1ccc(Cl)cc1)C(F)(F)F FC(F)(F)[*:1] Cc1n[nH]cc1CN(C)[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1cc(S[C@@H](C)c2ccc(C(=O)[O-])o2)n(C)n1 O=C([O-])[*:1] Cc1cc(S[C@@H](C)c2ccc(o2)[*:1])n(C)n1
Cc1ccccc1C[C@H](C1CCN(C(=O)c2ccc3ccccc3n2)CC1)N(C)C(=O)Cn1cccn1 Cc1ccccc1C[*:1] CN(C(=O)Cn1cccn1)[C@@H](C1CCN(CC1)C(=O)c1ccc2ccccc2n1)[*:1]
Cc1ccccc1C[C@H](C1CCN(C(=O)c2ccc3ccccc3n2)CC1)N(C)C(=O)Cn1cccn1 c1ccc2nc(ccc2c1)[*:1] Cc1ccccc1C[C@H](C1CCN(CC1)C(=O)[*:1])N(C)C(=O)Cn1cccn1
Cc1ccccc1C[C@H](C1CCN(C(=O)c2ccc3ccccc3n2)CC1)N(C)C(=O)Cn1cccn1 Cc1ccccc1[*:1] CN(C(=O)Cn1cccn1)[C@H](C[*:1])C1CCN(CC1)C(=O)c1ccc2ccccc2n1
Cc1ccccc1C[C@H](C1CCN(C(=O)c2ccc3ccccc3n2)CC1)N(C)C(=O)Cn1cccn1 c1cnn(c1)[*:1] Cc1ccccc1C[C@H](C1CCN(CC1)C(=O)c1ccc2ccccc2n1)N(C)C(=O)C[*:1]
Cc1ccccc1C[C@H](C1CCN(C(=O)c2ccc3ccccc3n2)CC1)N(C)C(=O)Cn1cccn1 c1cnn(c1)C[*:1] Cc1ccccc1C[C@H](C1CCN(CC1)C(=O)c1ccc2ccccc2n1)N(C)C(=O)[*:1]
COc1c(C(N)=O)cc([N+](=O)[O-])c(C)c1C O=[N+]([O-])[*:1] COc1c(cc(c(C)c1C)[*:1])C(N)=O
COc1c(C(N)=O)cc([N+](=O)[O-])c(C)c1C NC(=O)[*:1] COc1c(cc(c(C)c1C)[N+](=O)[O-])[*:1]
COc1c([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc2c(c1OC)OCO2 Clc1cccc(c1)[*:1] COc1c(cc2OCOc2c1OC)[C@H]1CC(=O)Nc2c1ncn2[*:1]
Cc1ccncc1NC(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 Cc1ccncc1[*:1] C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)N[*:1]
N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCc4ccccc43)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(N[C@@H]1CCc2ccccc21)C1CCN(CC1)[*:1]
CCOc1cc(CNc2cnn(-c3ncccn3)c2)cc(Cl)c1OC c1cnc(nc1)[*:1] CCOc1cc(cc(Cl)c1OC)CNc1cnn(c1)[*:1]
CCOc1cc(CNc2cnn(-c3ncccn3)c2)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(cc1[*:1])CNc1cnn(c1)-c1ncccn1
O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCc2[nH]ncc2C1 Clc1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N1CCc2[nH]ncc2C1
CCS(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(C)ccc3n2CC(=O)OC)cc1 COC(=O)C[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)/N=c1/sc2cc(C)ccc2n1[*:1]
CCS(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(C)ccc3n2CC(=O)OC)cc1 COC(=O)[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)/N=c1/sc2cc(C)ccc2n1C[*:1]
CCS(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(C)ccc3n2CC(=O)OC)cc1 CCS(=O)(=O)[*:1] COC(=O)Cn1/c(=N\C(=O)c2ccc(cc2)[*:1])sc2cc(C)ccc21
CC(C)C[C@]1(C2CCN(C(=O)C3CCC3)CC2)NC(=O)N(Cc2cccs2)C1=O CC(C)C[*:1] O=C(C1CCC1)N1CCC(CC1)[C@@]1(NC(=O)N(Cc2cccs2)C1=O)[*:1]
CC(C)C[C@]1(C2CCN(C(=O)C3CCC3)CC2)NC(=O)N(Cc2cccs2)C1=O c1csc(c1)[*:1] CC(C)C[C@@]1(NC(=O)N(C[*:1])C1=O)C1CCN(CC1)C(=O)C1CCC1
CC(C)C[C@]1(C2CCN(C(=O)C3CCC3)CC2)NC(=O)N(Cc2cccs2)C1=O CC(C)[*:1] O=C(C1CCC1)N1CCC(CC1)[C@@]1(C[*:1])NC(=O)N(Cc2cccs2)C1=O
CC(C)C[C@]1(C2CCN(C(=O)C3CCC3)CC2)NC(=O)N(Cc2cccs2)C1=O c1csc(c1)C[*:1] CC(C)C[C@@]1(NC(=O)N(C1=O)[*:1])C1CCN(CC1)C(=O)C1CCC1
CC(C)C[C@]1(C2CCN(C(=O)C3CCC3)CC2)NC(=O)N(Cc2cccs2)C1=O C1CC(C1)[*:1] CC(C)C[C@@]1(NC(=O)N(Cc2cccs2)C1=O)C1CCN(CC1)C(=O)[*:1]
Fc1ccccc1[C@@H]1CN(CCOc2ccccc2)CCO1 c1ccc(cc1)O[*:1] Fc1ccccc1[C@@H]1CN(CCO1)CC[*:1]
Fc1ccccc1[C@@H]1CN(CCOc2ccccc2)CCO1 Fc1ccccc1[*:1] c1ccc(cc1)OCCN1CCO[C@@H](C1)[*:1]
Fc1ccccc1[C@@H]1CN(CCOc2ccccc2)CCO1 c1ccc(cc1)[*:1] Fc1ccccc1[C@@H]1CN(CCO1)CCO[*:1]
CN([C@H]1CCSC1)S(=O)(=O)c1cccc(C(=O)[O-])c1 C1C[C@@H](CS1)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)[O-])[*:1]
CN([C@H]1CCSC1)S(=O)(=O)c1cccc(C(=O)[O-])c1 O=C([O-])[*:1] CN([C@H]1CCSC1)S(=O)(=O)c1cccc(c1)[*:1]
CCCNC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C CCC[*:1] Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N[*:1]
CCCNC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C CCCNC(=O)[*:1] Cc1nn(Cc2ccccc2Cl)c(C)c1C=C[*:1]
CCCNC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C Clc1ccccc1[*:1] CCCNC(=O)/C=C/c1c(C)nn(C[*:1])c1C
CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 CN(C)S(=O)(=O)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O)c1ccccc1
CCc1c(-c2cscc2C)[nH+]n([C@@H]2CCS(=O)(=O)C2)c1N O=S1(=O)CC[C@H](C1)[*:1] CCc1c([nH+]n(c1N)[*:1])-c1cscc1C
CCc1c(-c2cscc2C)[nH+]n([C@@H]2CCS(=O)(=O)C2)c1N Cc1cscc1[*:1] CCc1c([nH+]n(c1N)[C@@H]1CCS(=O)(=O)C1)[*:1]
COCCN(C(=O)NC[C@@H](C)c1cccs1)[C@H]1CCS(=O)(=O)C1 COCC[*:1] C[C@H](CNC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1])c1cccs1
COCCN(C(=O)NC[C@@H](C)c1cccs1)[C@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] COCCN(C(=O)NC[C@@H](C)[*:1])[C@H]1CCS(=O)(=O)C1
COCCN(C(=O)NC[C@@H](C)c1cccs1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] COCCN(C(=O)NC[C@@H](C)c1cccs1)[*:1]
COCCN(C(=O)NC[C@@H](C)c1cccs1)[C@H]1CCS(=O)(=O)C1 COC[*:1] C[C@H](CNC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1)c1cccs1
COCCN(C(=O)NC[C@@H](C)c1cccs1)[C@H]1CCS(=O)(=O)C1 C[C@@H](c1cccs1)[*:1] COCCN(C(=O)NC[*:1])[C@H]1CCS(=O)(=O)C1
O=C(Nc1cccc(CC[NH+]2CCCC2)c1)N[C@H]1CCCC[C@@H]1CO OC[C@H]1CCCC[C@@H]1[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)N[*:1]
CC(C)Oc1cccc(CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 CC(C)O[*:1] O=C(Cc1cccc(c1)[*:1])Nc1ccc(cc1)C[NH+]1CCCC1
CC(C)Oc1cccc(CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 CC(C)[*:1] O=C(Cc1cccc(c1)O[*:1])Nc1ccc(cc1)C[NH+]1CCCC1
CCOC(=O)c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] CCOC(=O)c1ccccc1[*:1]
CCOC(=O)c1ccccc1OC(F)(F)F FC(F)(F)[*:1] CCOC(=O)c1ccccc1O[*:1]
CCOC(=O)c1ccccc1OC(F)(F)F CCOC(=O)[*:1] FC(F)(F)Oc1ccccc1[*:1]
Cc1nn(C)c2nc(C3CC3)c(Cl)c(C(=O)[O-])c12 C1CC1[*:1] Cc1nn(C)c2nc(c(Cl)c(C(=O)[O-])c12)[*:1]
Cc1nn(C)c2nc(C3CC3)c(Cl)c(C(=O)[O-])c12 O=C([O-])[*:1] Cc1nn(C)c2nc(c(Cl)c(c12)[*:1])C1CC1
CCn1nc(C(C)C)cc1C(=O)NC[C@@H](C)N(C)c1ccccc1 CN(c1ccccc1)[*:1] CCn1nc(cc1C(=O)NC[C@@H](C)[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)NC[C@@H](C)N(C)c1ccccc1 c1ccc(cc1)[*:1] CCn1nc(cc1C(=O)NC[C@@H](C)N(C)[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)NC[C@@H](C)N(C)c1ccccc1 CC(C)[*:1] CCn1nc(cc1C(=O)NC[C@@H](C)N(C)c1ccccc1)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](SCc2cc(C)cc(C)c2)C1 O=C([O-])[*:1] CC[NH2+][C@]1(CC[C@H](C1)SCc1cc(C)cc(C)c1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(C)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 CC(=O)[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)CC2)cc1 CCO[*:1] O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
O=C(CBr)c1cc(-c2ccc(Cl)c(Cl)c2)no1 O=C(CBr)[*:1] Clc1ccc(cc1Cl)-c1cc(on1)[*:1]
O=C(NN=C(c1ccccc1)c1ccccc1)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=C(NN=C(c1ccccc1)c1ccccc1)c1cccc(c1)[*:1]
O=C(NN=C(c1ccccc1)c1ccccc1)c1cccc(-n2cnnn2)c1 c1ccc(cc1)[*:1] O=C(NN=C(c1ccccc1)[*:1])c1cccc(c1)-n1cnnn1
COC(=O)c1ccccc1NC(=O)CN(C)C(=O)C1CCCCC1 C1CCC(CC1)[*:1] COC(=O)c1ccccc1NC(=O)CN(C)C(=O)[*:1]
COC(=O)c1ccccc1NC(=O)CN(C)C(=O)C1CCCCC1 COC(=O)[*:1] CN(CC(=O)Nc1ccccc1[*:1])C(=O)C1CCCCC1
C[C@]1(c2cccs2)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O C1CCCC(CCC1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1cccs1
C[C@]1(c2cccs2)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O c1csc(c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O)[*:1]
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] COc1ccc(/C=C(/C#N)C(=O)OC[*:1])cc1
O=C(Nc1ccccc1C(F)(F)F)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)O[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cccc(c1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)c1cccc(Oc2cnccn2)c1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)Oc1cnccn1
O=C(Nc1ccccc1C(F)(F)F)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cccc(c1)O[*:1]
O=C([O-])c1cccc(-c2cnc(O)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] O=C([O-])c1cccc(c1)-c1cnc(O)c(c1)[*:1]
O=C([O-])c1cccc(-c2cnc(O)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] O=C([O-])c1cc(cnc1O)-c1cccc(c1)[*:1]
CC(C)NC(=O)CNC(=O)c1cc2sccc2n1Cc1ccccc1 CC(C)[*:1] O=C(CNC(=O)c1cc2sccc2n1Cc1ccccc1)N[*:1]
CC(C)NC(=O)CNC(=O)c1cc2sccc2n1Cc1ccccc1 CC(C)NC(=O)[*:1] O=C(NC[*:1])c1cc2sccc2n1Cc1ccccc1
CC(C)NC(=O)CNC(=O)c1cc2sccc2n1Cc1ccccc1 CC(C)NC(=O)C[*:1] O=C(N[*:1])c1cc2sccc2n1Cc1ccccc1
CC(C)NC(=O)CNC(=O)c1cc2sccc2n1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)NC(=O)CNC(=O)c1cc2sccc2n1[*:1]
CC(C)NC(=O)CNC(=O)c1cc2sccc2n1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)NC(=O)CNC(=O)c1cc2sccc2n1C[*:1]
COc1cccc(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)c1F Cc1ccc(cc1)C[*:1] COc1cccc(C(=O)N[C@H](c2ccccn2)[*:1])c1F
COc1cccc(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)c1F Cc1ccc(cc1)[*:1] COc1cccc(C(=O)N[C@H](C[*:1])c2ccccn2)c1F
COc1cccc(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)c1F COc1cccc(c1F)[*:1] Cc1ccc(cc1)C[C@@H](NC(=O)[*:1])c1ccccn1
COc1cccc(C(=O)N[C@H](Cc2ccc(C)cc2)c2ccccn2)c1F c1ccc(nc1)[*:1] COc1cccc(C(=O)N[C@H](Cc2ccc(C)cc2)[*:1])c1F
CC(=O)c1c(C)[nH]c(C(=O)COc2ccc3c(c2)CCCC3=O)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)COc2ccc3C(=O)CCCc3c2)c(C)c1[*:1]
COc1ccc(CNC(=O)COc2nsnc2N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(COc1nsnc1N1CCOCC1)NC[*:1]
COc1ccc(CNC(=O)COc2nsnc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)CNC(=O)COc1nsnc1[*:1]
Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc12 NS(=O)(=O)[*:1] Cc1cc(=O)oc2cc(ccc12)O[C@H](C)C(=O)NCc1ccc(cc1)[*:1]
Cc1ccc(CNc2nccn(-c3cccc(C)c3)c2=O)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)CNc1nccn(c1=O)[*:1]
Cc1ccc(CNc2nccn(-c3cccc(C)c3)c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)-n1ccnc(NC[*:1])c1=O
Cc1ccc(-c2csc(NC(=O)Cc3ccc4c(c3)OCO4)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccc2OCOc2c1)Nc1nc(cs1)[*:1]
CCN(Cc1ccc(OC)c(OC)c1)C(=O)NCc1ncoc1C Cc1ocnc1[*:1] CCN(Cc1ccc(OC)c(c1)OC)C(=O)NC[*:1]
CCN(Cc1ccc(OC)c(OC)c1)C(=O)NCc1ncoc1C Cc1ocnc1C[*:1] CCN(Cc1ccc(OC)c(c1)OC)C(=O)N[*:1]
O=C(c1ccnc(N2CCC([C@@H](O)Cc3ccccc3)CC2)c1)N1CCOCC1 O[C@@H](Cc1ccccc1)[*:1] O=C(c1ccnc(c1)N1CCC(CC1)[*:1])N1CCOCC1
O=C(c1ccnc(N2CCC([C@@H](O)Cc3ccccc3)CC2)c1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O[C@@H](Cc1ccccc1)C1CCN(CC1)c1cc(ccn1)[*:1]
O=C(c1ccnc(N2CCC([C@@H](O)Cc3ccccc3)CC2)c1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(c1ccnc(c1)N1CCC(CC1)[C@@H](O)C[*:1])N1CCOCC1
O=C(c1ccnc(N2CCC([C@@H](O)Cc3ccccc3)CC2)c1)N1CCOCC1 c1ccc(cc1)C[*:1] O=C(c1ccnc(c1)N1CCC(CC1)[C@@H](O)[*:1])N1CCOCC1
COc1ccc(OC)c(CN2CCc3[nH]c[nH+]c3[C@H]2c2cccc(O)c2)c1 Oc1cccc(c1)[*:1] COc1ccc(OC)c(c1)CN1CCc2[nH]c[nH+]c2[C@@H]1[*:1]
CC(C)[C@H](CNC(=O)C[C@@H]1C=CCC1)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](CNC(=O)C[C@@H]1C=CCC1)N[*:1]
CC(C)[C@H](CNC(=O)C[C@@H]1C=CCC1)Nc1ccccc1 c1ccc(cc1)N[*:1] CC(C)[C@H](CNC(=O)C[C@@H]1C=CCC1)[*:1]
CC(C)[C@H](CNC(=O)C[C@@H]1C=CCC1)Nc1ccccc1 CC(C)[*:1] O=C(C[C@@H]1C=CCC1)NC[C@H](Nc1ccccc1)[*:1]
Cc1cccc(N/C([O-])=C(\C#N)C(=O)c2ccn(-c3ccccc3F)n2)c1 Fc1ccccc1[*:1] Cc1cccc(c1)N/C([O-])=C(\C#N)C(=O)c1ccn(n1)[*:1]
Cc1cccc(N/C([O-])=C(\C#N)C(=O)c2ccn(-c3ccccc3F)n2)c1 Cc1cccc(c1)N[*:1] N#C/C(C(=O)c1ccn(n1)-c1ccccc1F)=C(/[O-])[*:1]
Cc1cccc(N/C([O-])=C(\C#N)C(=O)c2ccn(-c3ccccc3F)n2)c1 Cc1cccc(c1)[*:1] N#C/C(C(=O)c1ccn(n1)-c1ccccc1F)=C(/[O-])N[*:1]
CC(=O)Oc1c(Cl)cc(-c2ccccc2)cc1C(=O)[O-] c1ccc(cc1)[*:1] CC(=O)Oc1c(Cl)cc(cc1C(=O)[O-])[*:1]
CC(=O)Oc1c(Cl)cc(-c2ccccc2)cc1C(=O)[O-] O=C([O-])[*:1] CC(=O)Oc1c(Cl)cc(cc1[*:1])-c1ccccc1
CC(=O)Oc1c(Cl)cc(-c2ccccc2)cc1C(=O)[O-] CC(=O)O[*:1] O=C([O-])c1cc(cc(Cl)c1[*:1])-c1ccccc1
Cc1nnc(CN(C)Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)o1 Cc1nnc(o1)[*:1] Cc1oc(nc1CN(C)C[*:1])-c1cc2OCOc2cc1Cl
Cc1nnc(CN(C)Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)o1 Cc1nnc(C[*:1])o1 Cc1oc(nc1CN(C)[*:1])-c1cc2OCOc2cc1Cl
Cc1ccc(C)n1CCN1CC[NH+](Cc2oc(CO)cc(=O)c2O)CC1 Cc1ccc(C)n1[*:1] O=c1cc(CO)oc(C[NH+]2CCN(CC2)CC[*:1])c1O
Cc1ccc(C)n1CCN1CC[NH+](Cc2oc(CO)cc(=O)c2O)CC1 Cc1ccc(C)n1C[*:1] O=c1cc(CO)oc(C[NH+]2CCN(CC2)C[*:1])c1O
CSCC[C@](C)(O)CNS(=O)(=O)c1cccc(C)c1 CSCC[*:1] Cc1cccc(c1)S(=O)(=O)NC[C@](C)(O)[*:1]
CSCC[C@](C)(O)CNS(=O)(=O)c1cccc(C)c1 CSC[*:1] Cc1cccc(c1)S(=O)(=O)NC[C@@](C)(O)C[*:1]
O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O O=C(NC1CC1)[*:1] O=C(c1ccc2ccccc2c1O)N1CCC[C@@H]1[*:1]
O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O C1CC1[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O
O=C(ON1C(=O)CCC1=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(ON1C(=O)CCC1=O)c1ccc(cc1)[*:1]
CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1 Clc1cccc(c1)[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)[*:1])SCC(=O)Nc1cccc(Cl)c1
CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1 O=C(C[*:1])Nc1cccc(Cl)c1 CCn1c(nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1)S[*:1]
CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1 O=C(Nc1cccc(Cl)c1)[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1)SC[*:1]
Cc1nc(C2CCN(C(=O)N[C@@H](c3ccccc3)C(C)(C)C)CC2)no1 c1ccc(cc1)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@@H](C(C)(C)C)[*:1]
Cc1nc(C2CCN(C(=O)N[C@@H](c3ccccc3)C(C)(C)C)CC2)no1 CC(C)(C)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1nc(C2CCN(C(=O)N[C@@H](c3ccccc3)C(C)(C)C)CC2)no1 Cc1nc(no1)[*:1] CC(C)(C)[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccccc1
CC1=CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC1=CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)N[*:1]
CC1=CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC1=CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@@H]([C@@H]1C(=O)Nc1ccccc1)[*:1]
CC1=CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] CC1=CC(=O)[C@@H]([C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1)[*:1]
CC1=CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC1=CC(=O)[C@@H](C(=O)N[*:1])[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1
CC1=CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] CC1=CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)[C@H]1[*:1]
CC(C)(C)NC(=O)NC(=O)CN1CCSC(C)(C)C1 CC(C)(C)[*:1] CC1(C)CN(CCS1)CC(=O)NC(=O)N[*:1]
O=C(C[NH2+]Cc1ccccc1Cl)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH2+]Cc1ccccc1Cl)N[*:1]
O=C(N[C@H](c1nccs1)C1CC1)N1CCC2(CCCC2)CC1 C1CC1[*:1] O=C(N[C@H](c1nccs1)[*:1])N1CCC2(CCCC2)CC1
O=C(N[C@H](c1nccs1)C1CC1)N1CCC2(CCCC2)CC1 c1csc(n1)[*:1] O=C(N[C@H](C1CC1)[*:1])N1CCC2(CCCC2)CC1
COc1ccc(C(N)=O)c(OCc2nc3ccccc3nc2C)c1 NC(=O)[*:1] COc1ccc(c(c1)OCc1nc2ccccc2nc1C)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cccc(NC(C)=O)c2C)c1C COC(=O)[*:1] CC(=O)Nc1cccc(N[C@@H](C)C(=O)c2[nH]c(C)c(c2C)[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cccc(NC(C)=O)c2C)c1C CC(=O)N[*:1] COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cccc(c2C)[*:1])c1C
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(cc1)N[*:1]
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Nc2ccccc2)cc1 O=[N+]([O-])[*:1] O=C(Cc1ccccc1[*:1])Nc1ccc(cc1)Nc1ccccc1
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)N[*:1] O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(cc1)[*:1]
Cc1ccccc1-n1ncc(C(=O)Nc2cccnc2)c1C(F)(F)F FC(F)(F)[*:1] Cc1ccccc1-n1ncc(C(=O)Nc2cccnc2)c1[*:1]
Cc1ccccc1-n1ncc(C(=O)Nc2cccnc2)c1C(F)(F)F Cc1ccccc1[*:1] O=C(Nc1cccnc1)c1cnn(c1C(F)(F)F)[*:1]
Cc1ccccc1-n1ncc(C(=O)Nc2cccnc2)c1C(F)(F)F c1cncc(c1)[*:1] Cc1ccccc1-n1ncc(C(=O)N[*:1])c1C(F)(F)F
O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)c1ccc(c(c1)OC(F)F)[*:1]
O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 FC(F)[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)c1ccc(c(c1)O[*:1])[N+](=O)[O-]
O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(c(c1)OC(F)F)[N+](=O)[O-]
O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 FC(F)O[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 O=C(Nc1ccccc1)[*:1] O=[N+]([O-])c1ccc(cc1OC(F)F)N1CCC[C@H](C1)[*:1]
CCc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)N1CCN(CC1)c1cnccn1
CCc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1-c1ccc(F)cc1 c1cnc(cn1)[*:1] CCc1c(cnn1-c1ccc(F)cc1)C(=O)N1CCN(CC1)[*:1]
COc1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OC(=O)[C@@H]2CCCO2)c(c1)[*:1]
COc1ccc(OC(=O)[C@@H]2CCCO2)c([N+](=O)[O-])c1 C1CO[C@@H](C1)[*:1] COc1ccc(OC(=O)[*:1])c(c1)[N+](=O)[O-]
CCc1ccc(C2=CCN(C(=O)CNC(=O)c3cccs3)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(NCC(=O)N1CC=C(CC1)[*:1])c1cccs1
CCc1ccc(C2=CCN(C(=O)CNC(=O)c3cccs3)CC2)cc1 c1csc(c1)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)CNC(=O)[*:1]
CCc1ccc(C2=CCN(C(=O)CNC(=O)c3cccs3)CC2)cc1 O=C(N[*:1])c1cccs1 CCc1ccc(cc1)C1=CCN(CC1)C(=O)C[*:1]
O=C(c1ccc(SCCc2ccccc2)nc1)N1CCCC1 c1ccc(cc1)[*:1] O=C(c1ccc(nc1)SCC[*:1])N1CCCC1
O=C(c1ccc(SCCc2ccccc2)nc1)N1CCCC1 c1ccc(cc1)C[*:1] O=C(c1ccc(nc1)SC[*:1])N1CCCC1
O=C(c1ccc(SCCc2ccccc2)nc1)N1CCCC1 O=C(N1CCCC1)[*:1] c1ccc(cc1)CCSc1ccc(cn1)[*:1]
Cc1cccc([C@H](NC(=O)c2n[nH]c(=O)[nH]2)C(C)(C)C)c1 O=c1[nH]nc([nH]1)[*:1] Cc1cccc(c1)[C@H](NC(=O)[*:1])C(C)(C)C
Cc1cccc([C@H](NC(=O)c2n[nH]c(=O)[nH]2)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@H](NC(=O)c1n[nH]c(=O)[nH]1)[*:1]
Cc1cccc([C@H](NC(=O)c2n[nH]c(=O)[nH]2)C(C)(C)C)c1 Cc1cccc(c1)[*:1] CC(C)(C)[C@@H](NC(=O)c1n[nH]c(=O)[nH]1)[*:1]
Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] Cc1nc(sc1C(=O)O[C@H](C)[*:1])-c1ccc(F)cc1
Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@H](C)c1ccccn1 Fc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)O[C@H](C)c1ccccn1)[*:1]
Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)c(Cl)n1 Cc1ccc(c(Cl)n1)[*:1] O=C(N[*:1])C(=O)N1CCC[C@@H](C1)N1CCCC1=O
Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)c(Cl)n1 O=C1CCCN1[*:1] Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C2)[*:1])c(Cl)n1
CN(Cc1nnnn1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1nnnn1-c1ccccc1)[*:1]
CN(Cc1nnnn1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1nnnn1[*:1])c1ccccc1
COc1cccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 COc1cccc(c1)[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)CC#N)cc1 N#CCC(=O)N[*:1] C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc(cc1)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)CC#N)cc1 N#CC[*:1] C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc(cc1)NC(=O)[*:1]
N#Cc1c(CN2CCCN(CC(F)(F)F)CC2)cn2ccccc12 FC(F)(F)C[*:1] N#Cc1c(cn2ccccc12)CN1CCCN(CC1)[*:1]
N#Cc1c(CN2CCCN(CC(F)(F)F)CC2)cn2ccccc12 FC(F)(F)[*:1] N#Cc1c(cn2ccccc12)CN1CCCN(CC1)C[*:1]
COc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1F O=C([O-])C[*:1] COc1ccc(/C=C(\C[*:1])c2nc3ccccc3s2)cc1F
COc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1F O=C([O-])[*:1] COc1ccc(/C=C(\CC[*:1])c2nc3ccccc3s2)cc1F
O=[N+]([O-])c1ccc(CNCc2ccncc2)cc1F c1cc(ccn1)[*:1] O=[N+]([O-])c1ccc(cc1F)CNC[*:1]
O=[N+]([O-])c1ccc(CNCc2ccncc2)cc1F O=[N+]([O-])[*:1] Fc1cc(ccc1[*:1])CNCc1ccncc1
O=C(c1cnc2nc(C(F)(F)F)nn2c1)c1cc(F)ccc1O FC(F)(F)[*:1] O=C(c1cnc2nc(nn2c1)[*:1])c1cc(F)ccc1O
CSC[C@@H](C)NC(=O)N1CCn2c(nnc2-c2ccccc2)C1 CSC[*:1] C[C@@H](NC(=O)N1CCn2c(C1)nnc2-c1ccccc1)[*:1]
CSC[C@@H](C)NC(=O)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] CSC[C@@H](C)NC(=O)N1CCn2c(C1)nnc2[*:1]
Cc1c(C(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)oc2ccc(Br)cc12 FC(F)(F)[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)NNC(=O)Cn1ccc(n1)[*:1]
Cc1c(C(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)oc2ccc(Br)cc12 FC(F)(F)c1ccn(n1)[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)NNC(=O)C[*:1]
COc1ccccc1NC(=O)Nc1ccc(CN2CCN(c3cccc[nH+]3)CC2)cc1 COc1ccccc1[*:1] O=C(Nc1ccc(cc1)CN1CCN(CC1)c1cccc[nH+]1)N[*:1]
Cc1occc1-c1nnc(SCCCOc2ccccc2)n1C c1ccc(cc1)[*:1] Cc1occc1-c1nnc(SCCCO[*:1])n1C
Cc1occc1-c1nnc(SCCCOc2ccccc2)n1C c1ccc(cc1)O[*:1] Cc1occc1-c1nnc(SCCC[*:1])n1C
Cc1occc1-c1nnc(SCCCOc2ccccc2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])SCCCOc1ccccc1
C[C@@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)c2ccccc21 O=S1(=O)CC[C@@H](C1)[*:1] C[C@@H]1CN(C(=O)CS[*:1])c2ccccc21
CC(C)c1nc2cc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)ccc2o1 CC(C)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])c1cc(Cl)c2OCCCOc2c1
C[C@H]1CN(Cc2ccc(CNC(=O)NCc3ncn(C)n3)cc2)C[C@H](C)O1 Cn1cnc(n1)[*:1] C[C@H]1CN(Cc2ccc(cc2)CNC(=O)NC[*:1])C[C@H](C)O1
C[C@H]1CN(Cc2ccc(CNC(=O)NCc3ncn(C)n3)cc2)C[C@H](C)O1 Cn1cnc(C[*:1])n1 C[C@H]1CN(Cc2ccc(cc2)CNC(=O)N[*:1])C[C@H](C)O1
CC(C)[C@@H]1C[C@](C[NH3+])([NH+]2C[C@H](C)[C@@H](C)C2)CCO1 CC(C)[*:1] C[C@H]1C[NH+](C[C@@H]1C)[C@]1(C[NH3+])CCO[C@@H](C1)[*:1]
COc1ccc(-c2nc(CC(=O)Nc3ccc(O)cc3)cs2)cc1OC Oc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nc(cs1)CC(=O)N[*:1]
Cc1nn(C(=O)[C@@H]2C[C@@H]2c2ccccc2)c2c1[C@@H]1[C@H](C2)C1(C)C c1ccc(cc1)[*:1] Cc1nn(C(=O)[C@@H]2C[C@H]2[*:1])c2C[C@H]3[C@@H](c12)C3(C)C
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(-n3nc([O-])ccc3=O)c2)CC1 CC(C)[*:1] N#C[C@@H](N1CCN(CC1)C(=O)c1cccc(c1)-n1nc([O-])ccc1=O)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(-n3nc([O-])ccc3=O)c2)CC1 O=c1ccc([O-])nn1[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
N#CCCN(CC1CC1)C(=O)Nc1cccc(Oc2ccncc2)c1 N#CCC[*:1] O=C(Nc1cccc(c1)Oc1ccncc1)N(CC1CC1)[*:1]
N#CCCN(CC1CC1)C(=O)Nc1cccc(Oc2ccncc2)c1 C1CC1C[*:1] N#CCCN(C(=O)Nc1cccc(c1)Oc1ccncc1)[*:1]
N#CCCN(CC1CC1)C(=O)Nc1cccc(Oc2ccncc2)c1 C1CC1[*:1] N#CCCN(C[*:1])C(=O)Nc1cccc(c1)Oc1ccncc1
N#CCCN(CC1CC1)C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)[*:1] N#CCCN(CC1CC1)C(=O)Nc1cccc(c1)O[*:1]
N#CCCN(CC1CC1)C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)O[*:1] N#CCCN(CC1CC1)C(=O)Nc1cccc(c1)[*:1]
N#CCCN(CC1CC1)C(=O)Nc1cccc(Oc2ccncc2)c1 N#CC[*:1] O=C(Nc1cccc(c1)Oc1ccncc1)N(CC1CC1)C[*:1]
CCCOc1ccc(-c2nn3c(-c4cnccn4)nnc3s2)cc1 CCCO[*:1] c1cnc(cn1)-c1nnc2sc(nn12)-c1ccc(cc1)[*:1]
CCCOc1ccc(-c2nn3c(-c4cnccn4)nnc3s2)cc1 c1cnc(cn1)[*:1] CCCOc1ccc(cc1)-c1nn2c(nnc2s1)[*:1]
CCCOc1ccc(-c2nn3c(-c4cnccn4)nnc3s2)cc1 CCC[*:1] c1cnc(cn1)-c1nnc2sc(nn12)-c1ccc(cc1)O[*:1]
CCc1cccc(NC(=O)NCCCO)c1 OCC[*:1] CCc1cccc(c1)NC(=O)NC[*:1]
CCc1cccc(NC(=O)NCCCO)c1 OCCC[*:1] CCc1cccc(c1)NC(=O)N[*:1]
CCCCN(C[C@@H]1C=c2ccc(C)cc2=[NH+]C1=O)C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCCN(C[C@@H]1C=c2ccc(C)cc2=[NH+]C1=O)C(=O)[*:1]
CCCCN(C[C@@H]1C=c2ccc(C)cc2=[NH+]C1=O)C(=O)c1ccc(Cl)cc1 CCCC[*:1] Cc1ccc2=C[C@@H](CN(C(=O)c3ccc(Cl)cc3)[*:1])C(=O)[NH+]=c2c1
CCCCN(C[C@@H]1C=c2ccc(C)cc2=[NH+]C1=O)C(=O)c1ccc(Cl)cc1 CCC[*:1] Cc1ccc2=C[C@@H](CN(C[*:1])C(=O)c3ccc(Cl)cc3)C(=O)[NH+]=c2c1
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc(Br)cc1)C1CCN(CC1)S(=O)(=O)C[*:1]
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1 Cc1cccc(c1)C[*:1] O=C(Nc1ccc(Br)cc1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1 Brc1ccc(cc1)[*:1] Cc1cccc(c1)CS(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@]1(CO)CCC[C@H]1NC(=O)NCCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@]1(CO)CCC[C@H]1NC(=O)NCCc1nccn1C[*:1]
C[C@]1(CO)CCC[C@H]1NC(=O)NCCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@]1(CO)CCC[C@H]1NC(=O)NCCc1nccn1[*:1]
CO/N=C(/C(=O)Nc1cc(C(N)=O)c(F)cc1F)c1ccco1 NC(=O)[*:1] CO/N=C(/C(=O)Nc1cc(c(F)cc1F)[*:1])c1ccco1
CO/N=C(/C(=O)Nc1cc(C(N)=O)c(F)cc1F)c1ccco1 c1coc(c1)[*:1] CO/N=C(/C(=O)Nc1cc(C(N)=O)c(F)cc1F)[*:1]
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)N[*:1]
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)Nc1ccccc1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1[*:1])Nc1ccccc1
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=c1cc(Cc2nnc(SC[*:1])n2-c2ccc(Cl)cc2)[nH]c(=O)[nH]1
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=c1cc(Cc2nnc(S[*:1])n2-c2ccc(Cl)cc2)[nH]c(=O)[nH]1
Cc1ccc(CNC(=O)c2nc3nccc(C)n3n2)c(OCC2CC2)c1 C1CC1CO[*:1] Cc1ccc(CNC(=O)c2nc3nccc(C)n3n2)c(c1)[*:1]
Cc1ccc(CNC(=O)c2nc3nccc(C)n3n2)c(OCC2CC2)c1 C1CC1[*:1] Cc1ccc(CNC(=O)c2nc3nccc(C)n3n2)c(c1)OC[*:1]
Cc1ccc(CNC(=O)c2nc3nccc(C)n3n2)c(OCC2CC2)c1 C1CC1C[*:1] Cc1ccc(CNC(=O)c2nc3nccc(C)n3n2)c(c1)O[*:1]
Cc1nc(C2(NC(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)CCCC2)no1 Cc1nc(no1)[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC1(CCCC1)[*:1]
Cc1nc(C2(NC(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)CCCC2)no1 Cc1nn(C)c(C)c1[*:1] Cc1nc(no1)C1(CCCC1)NC(=O)N[C@@H](C)C[*:1]
CCOC(=O)/C=C(/N)Oc1ccccc1 CCOC(=O)[*:1] NC(=C[*:1])Oc1ccccc1
O=C(Nc1ccc(Cl)cc1)N1CCCC[C@@H]1C1OCCO1 C1COC(O1)[*:1] O=C(Nc1ccc(Cl)cc1)N1CCCC[C@H]1[*:1]
O=C(Nc1ccc(Cl)cc1)N1CCCC[C@@H]1C1OCCO1 Clc1ccc(cc1)[*:1] O=C(N[*:1])N1CCCC[C@@H]1C1OCCO1
CC(C)(C)C(=O)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)cn2nnnc12 Fc1ccc(cc1)C[*:1] CC(C)(C)C(=O)N(Cc1cc(cn2nnnc12)-c1ccccc1)[*:1]
CC(C)(C)C(=O)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)cn2nnnc12 Fc1ccc(cc1)[*:1] CC(C)(C)C(=O)N(Cc1cc(cn2nnnc12)-c1ccccc1)C[*:1]
CC(C)(C)C(=O)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)cn2nnnc12 c1ccc(cc1)[*:1] CC(C)(C)C(=O)N(Cc1ccc(F)cc1)Cc1cc(cn2nnnc12)[*:1]
CC(C)(C)C(=O)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)cn2nnnc12 CC(C)(C)[*:1] O=C(N(Cc1ccc(F)cc1)Cc1cc(cn2nnnc12)-c1ccccc1)[*:1]
CN(Cc1cccc(C[NH3+])c1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cccc(c1)C[NH3+])C(=O)N[*:1]
Cc1c(Br)cccc1[C@H]([NH3+])[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] Cc1c(Br)cccc1[C@H]([NH3+])[C@@H](C)[*:1]
C[C@H]1CC(=O)Nc2ccc([N+](=O)[O-])cc2N1C O=[N+]([O-])[*:1] C[C@H]1CC(=O)Nc2ccc(cc2N1C)[*:1]
COCc1nc(C)cc(NCc2cccc(CN3CCO[C@H](C)C3)c2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])NCc1cccc(c1)CN1CCO[C@H](C)C1
COCc1nc(C)cc(NCc2cccc(CN3CCO[C@H](C)C3)c2)n1 C[C@@H]1CN(CCO1)C[*:1] COCc1nc(C)cc(n1)NCc1cccc(c1)[*:1]
CC(=O)N1CCCN(C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)CC1 CC(C)[*:1] CC(=O)N1CCCN(CC1)C(=O)N[C@@H](c1ccc(cc1)[*:1])C(C)C
CC(=O)N1CCCN(C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)CC1 CC(C)[*:1] CC(=O)N1CCCN(CC1)C(=O)N[C@@H](c1ccc(cc1)C(C)C)[*:1]
CC(C)[NH2+]C[C@@H](c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=S1(=O)CC[C@H](C1)[C@@H](C[NH2+][*:1])c1ccc(Br)cc1
C[NH+]1CCN(c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)s2)CC1 NC(=O)[*:1] C[NH+]1CCN(CC1)c1nnc(SCC(=O)Nc2ccc(cc2)[*:1])s1
COc1cc([C@@H](C)Nc2nc(C)nc3[nH]ccc23)ccc1OCCO OCC[*:1] COc1cc(ccc1O[*:1])[C@@H](C)Nc1nc(C)nc2[nH]ccc12
COc1cc([C@@H](C)Nc2nc(C)nc3[nH]ccc23)ccc1OCCO OCCO[*:1] COc1cc(ccc1[*:1])[C@@H](C)Nc1nc(C)nc2[nH]ccc12
CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(OC)c1O Clc1ccc(C[*:1])s1 CCN(C(=O)c1cccc(OC)c1O)[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(OC)c1O Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)c1cccc(OC)c1O
CCOC(=O)c1noc2nc(C)n(CC(=O)Nc3ccc(Cl)cc3C)c(=O)c12 Cc1cc(Cl)ccc1[*:1] CCOC(=O)c1noc2nc(C)n(CC(=O)N[*:1])c(=O)c12
CCOC(=O)c1noc2nc(C)n(CC(=O)Nc3ccc(Cl)cc3C)c(=O)c12 CCOC(=O)[*:1] Cc1cc(Cl)ccc1NC(=O)Cn1c(C)nc2onc(c2c1=O)[*:1]
CN(C(=O)NCc1ccncc1)[C@@H]1CCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)NCc1ccncc1)[C@@H]1CCC[C@@H]1[*:1]
CN(C(=O)NCc1ccncc1)[C@@H]1CCC[C@H]1S(C)(=O)=O c1cc(ccn1)C[*:1] CN(C(=O)N[*:1])[C@@H]1CCC[C@H]1S(C)(=O)=O
CN(C(=O)NCc1ccncc1)[C@@H]1CCC[C@H]1S(C)(=O)=O c1cc(ccn1)[*:1] CN(C(=O)NC[*:1])[C@@H]1CCC[C@H]1S(C)(=O)=O
Cc1cnn(-c2ccccc2)c1NC(=O)Cc1ccc(-n2cccc2)cc1 c1ccc(cc1)[*:1] Cc1cnn(c1NC(=O)Cc1ccc(cc1)-n1cccc1)[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)Cc1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] Cc1cnn(-c2ccccc2)c1NC(=O)Cc1ccc(cc1)[*:1]
C[NH2+]CC(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1 c1cc(ccn1)[*:1] C[NH2+]CC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)C2CC[NH+](CC(N)=O)CC2)c1 NC(=O)[*:1] Cc1ccc(NC(=O)c2ccccc2)c(c1)NC(=O)C1CC[NH+](CC1)C[*:1]
Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)C2CC[NH+](CC(N)=O)CC2)c1 O=C(N[*:1])c1ccccc1 Cc1ccc(c(c1)NC(=O)C1CC[NH+](CC1)CC(N)=O)[*:1]
Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)C2CC[NH+](CC(N)=O)CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[*:1])c(c1)NC(=O)C1CC[NH+](CC1)CC(N)=O
CCn1ccnc1SCC(=O)NCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCn1ccnc1SCC(=O)NCc1ccccc1[*:1]
CCn1ccnc1SCC(=O)NCc1ccccc1[N+](=O)[O-] CCn1ccnc1[*:1] O=C(CS[*:1])NCc1ccccc1[N+](=O)[O-]
Cc1cc(C)nc(Nc2nc(CC(=O)N3CCC4(CC3)OCCO4)cs2)n1 Cc1cc(C)nc(n1)N[*:1] O=C(Cc1csc(n1)[*:1])N1CCC2(CC1)OCCO2
Cc1cc(C)nc(Nc2nc(CC(=O)N3CCC4(CC3)OCCO4)cs2)n1 Cc1cc(C)nc(n1)[*:1] O=C(Cc1csc(n1)N[*:1])N1CCC2(CC1)OCCO2
COC(=O)CN(C)C(=O)[C@H]1Cc2[nH+]c[nH]c2CN1 COC(=O)[*:1] CN(C[*:1])C(=O)[C@H]1Cc2[nH+]c[nH]c2CN1
COC(=O)CN(C)C(=O)[C@H]1Cc2[nH+]c[nH]c2CN1 COC(=O)C[*:1] CN(C(=O)[C@H]1Cc2[nH+]c[nH]c2CN1)[*:1]
COc1cccc([C@@H](C)Cc2nc(-c3ccccc3OC)no2)c1 COc1ccccc1[*:1] COc1cccc(c1)[C@@H](C)Cc1nc(no1)[*:1]
COc1cccc([C@@H](C)Cc2nc(-c3ccccc3OC)no2)c1 COc1cccc(c1)[*:1] COc1ccccc1-c1noc(C[C@H](C)[*:1])n1
C(=N/c1cccc(/N=C/c2ccccc2)c1)\c1ccccc1 c1ccc(cc1)[*:1] C(=N/c1cccc(c1)N=C[*:1])\c1ccccc1
C[C@H](CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)C[*:1]
C[C@H](CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@H](CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)[*:1]
Cc1cccc(-n2nc(C)c(C(=O)N3CCC(C(N)=O)CC3)c2-n2cccc2)c1 Cc1cccc(c1)[*:1] Cc1nn(c(c1C(=O)N1CCC(CC1)C(N)=O)-n1cccc1)[*:1]
Cc1cccc(-n2nc(C)c(C(=O)N3CCC(C(N)=O)CC3)c2-n2cccc2)c1 c1ccn(c1)[*:1] Cc1cccc(c1)-n1nc(C)c(C(=O)N2CCC(CC2)C(N)=O)c1[*:1]
Cc1cccc(-n2nc(C)c(C(=O)N3CCC(C(N)=O)CC3)c2-n2cccc2)c1 NC(=O)[*:1] Cc1cccc(c1)-n1nc(C)c(C(=O)N2CCC(CC2)[*:1])c1-n1cccc1
COC(=O)c1ccc(-n2cnnc2)c(Cl)c1 c1nncn1[*:1] COC(=O)c1ccc(c(Cl)c1)[*:1]
COC(=O)c1ccc(-n2cnnc2)c(Cl)c1 COC(=O)[*:1] Clc1cc(ccc1-n1cnnc1)[*:1]
CNC(=O)c1cc(C2CCN(c3cnccn3)CC2)ncn1 c1cnc(cn1)[*:1] CNC(=O)c1cc(ncn1)C1CCN(CC1)[*:1]
CNC(=O)c1cc(C2CCN(c3cnccn3)CC2)ncn1 CNC(=O)[*:1] c1cnc(cn1)N1CCC(CC1)c1cc(ncn1)[*:1]
CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)CC)cc1 CCOc1ccc(cc1)[*:1] CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[*:1]
CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)CC)cc1 CCO[*:1] CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
O=C(c1ccccc1)N1CCN(C[C@@H](O)COc2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(N1CCN(CC1)C[C@@H](O)COc1ccccc1F)[*:1]
O=C(c1ccccc1)N1CCN(C[C@@H](O)COc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1ccccc1)N1CCN(CC1)C[C@@H](O)CO[*:1]
O=C(c1ccccc1)N1CCN(C[C@@H](O)COc2ccccc2F)CC1 Fc1ccccc1O[*:1] O=C(c1ccccc1)N1CCN(CC1)C[C@@H](O)C[*:1]
Cc1cc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)c[nH]c1=O CC(C)(C)[*:1] Cc1cc(c[nH]c1=O)NC(=O)N[C@H](C(N)=O)[*:1]
Cc1cc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)c[nH]c1=O NC(=O)[*:1] Cc1cc(c[nH]c1=O)NC(=O)N[C@H](C(C)(C)C)[*:1]
COc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)c(C)n1 c1cc(co1)[*:1] COc1ccc(NC(=O)c2cccc(c2)[*:1])c(C)n1
O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccc(cc1)[*:1]
Cc1cc(CNC(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)no1 Cc1cc(C[*:1])no1 C[C@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)N[*:1]
Cc1cc(CNC(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)no1 O=C(N1CCCC1)[*:1] Cc1cc(CNC(=O)N2CCN(CC2)[C@H](C)[*:1])no1
Cc1cc(CNC(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)no1 Cc1cc(no1)[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)NC[*:1]
Cc1c[nH]c(CN(C)C(=O)[C@@]23CNC[C@@H]2C[NH2+]C3)[nH+]1 Cc1c[nH]c([nH+]1)[*:1] CN(C[*:1])C(=O)[C@@]12CNC[C@@H]1C[NH2+]C2
CCCS(=O)(=O)N1CC(=O)N(c2c(C)cc(C)cc2C)[C@](C)(C(=O)NC2CCCCCC2)C1 Cc1cc(C)c(c(C)c1)[*:1] CCCS(=O)(=O)N1CC(=O)N([C@@](C)(C1)C(=O)NC1CCCCCC1)[*:1]
CCCS(=O)(=O)N1CC(=O)N(c2c(C)cc(C)cc2C)[C@](C)(C(=O)NC2CCCCCC2)C1 O=C(NC1CCCCCC1)[*:1] CCCS(=O)(=O)N1CC(=O)N(c2c(C)cc(C)cc2C)[C@](C)(C1)[*:1]
CCCS(=O)(=O)N1CC(=O)N(c2c(C)cc(C)cc2C)[C@](C)(C(=O)NC2CCCCCC2)C1 C1CCCC(CC1)[*:1] CCCS(=O)(=O)N1CC(=O)N(c2c(C)cc(C)cc2C)[C@@](C)(C1)C(=O)N[*:1]
CCCS(=O)(=O)N1CC(=O)N(c2c(C)cc(C)cc2C)[C@](C)(C(=O)NC2CCCCCC2)C1 CCC[*:1] Cc1cc(C)c(c(C)c1)N1C(=O)CN(C[C@@]1(C)C(=O)NC1CCCCCC1)S(=O)(=O)[*:1]
O=C([C@@H]1Cc2ccccc2N2CCN(c3ccccc3F)C[C@H]12)N1CCOCC1 Fc1ccccc1[*:1] O=C([C@@H]1Cc2ccccc2N2CCN(C[C@H]12)[*:1])N1CCOCC1
O=C([C@@H]1Cc2ccccc2N2CCN(c3ccccc3F)C[C@H]12)N1CCOCC1 O=C(N1CCOCC1)[*:1] Fc1ccccc1N1CCN2c3ccccc3C[C@H]([C@H]2C1)[*:1]
CO[C@@H](CNC(=O)Nc1ccc(N(C)C(C)=O)cc1)c1ccc(F)cc1 CC(=O)N(C)[*:1] CO[C@@H](CNC(=O)Nc1ccc(cc1)[*:1])c1ccc(F)cc1
CO[C@@H](CNC(=O)Nc1ccc(N(C)C(C)=O)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)Nc1ccc(cc1)N(C)C(C)=O)[*:1]
C[C@@](N)(C(=O)OCCc1cccs1)C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(C(=O)OCCc1cccs1)[*:1]
C[C@@](N)(C(=O)OCCc1cccs1)C(F)(F)F c1csc(c1)[*:1] C[C@@](N)(C(=O)OCC[*:1])C(F)(F)F
CNC(=O)C1CCN(c2nc3c(-c4cccc(C)c4)csc3c(=O)[nH]2)CC1 CNC(=O)[*:1] Cc1cccc(c1)-c1csc2c(=O)[nH]c(nc12)N1CCC(CC1)[*:1]
CNC(=O)C1CCN(c2nc3c(-c4cccc(C)c4)csc3c(=O)[nH]2)CC1 Cc1cccc(c1)[*:1] CNC(=O)C1CCN(CC1)c1nc2c(csc2c(=O)[nH]1)[*:1]
O=S(=O)(CCCF)/N=C(\[O-])c1csc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=S(=O)(CCCF)/N=C(\[O-])c1csc(n1)[*:1]
O=S(=O)(CCCF)/N=C(\[O-])c1csc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=S(=O)(CCCF)/N=C(\[O-])c1csc(C[*:1])n1
O=S(=O)(CCCF)/N=C(\[O-])c1csc(Cc2ccccc2)n1 FCCC[*:1] O=S(=O)(/N=C(\[O-])c1csc(Cc2ccccc2)n1)[*:1]
O=S(=O)(CCCF)/N=C(\[O-])c1csc(Cc2ccccc2)n1 FCC[*:1] O=S(=O)(C[*:1])/N=C(\[O-])c1csc(Cc2ccccc2)n1
O=C(c1ccccc1Br)N1CCC[C@H](c2nnc3ccccn23)C1 Brc1ccccc1[*:1] O=C(N1CCC[C@@H](C1)c1nnc2ccccn12)[*:1]
Cc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)c2cc1C c1cc2CCCc2cc1[*:1] Cc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(C3=O)[*:1])c2cc1C
CCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2-c1ccccc1F CCOC(=O)[*:1] Cc1nn(-c2ccccc2F)c2[nH]c(=O)cc(c12)[*:1]
CCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2-c1ccccc1F Fc1ccccc1[*:1] CCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2[*:1]
O=C(OCc1nc([O-])c2ccc(C(F)(F)F)cc2n1)c1ccc2c(c1)OCCO2 FC(F)(F)[*:1] O=C(OCc1nc([O-])c2ccc(cc2n1)[*:1])c1ccc2OCCOc2c1
CC(=O)N1CCCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCCN(CC1)C(=O)CCc1cnn(c1)[*:1]
CSc1ncccc1C(=O)N(C)Cc1nc(C)no1 Cc1noc(n1)[*:1] CSc1ncccc1C(=O)N(C)C[*:1]
C[C@H](CNC(=O)c1ccc2c(c1)COCO2)Oc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] C[C@H](CNC(=O)c1ccc2OCOCc2c1)[*:1]
C[C@H](CNC(=O)c1ccc2c(c1)COCO2)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccc2OCOCc2c1)O[*:1]
O=C([O-])c1cccn1CC(=O)N1CCS(=O)CC1 O=C([O-])[*:1] O=C(Cn1cccc1[*:1])N1CCS(=O)CC1
CC(=O)Nc1cccc2c1CCN(C(=O)NCCCC(C)(C)CO)C2 CC(C)(CO)CC[*:1] CC(=O)Nc1cccc2CN(CCc21)C(=O)NC[*:1]
CC(=O)Nc1cccc2c1CCN(C(=O)NCCCC(C)(C)CO)C2 CC(C)(CO)CCC[*:1] CC(=O)Nc1cccc2CN(CCc21)C(=O)N[*:1]
CC(=O)Nc1cccc2c1CCN(C(=O)NCCCC(C)(C)CO)C2 CC(C)(CO)C[*:1] CC(=O)Nc1cccc2CN(CCc21)C(=O)NCC[*:1]
CC(=O)Nc1cccc2c1CCN(C(=O)NCCCC(C)(C)CO)C2 CC(=O)N[*:1] CC(C)(CO)CCCNC(=O)N1CCc2c(cccc2[*:1])C1
CC(=O)Nc1cccc2c1CCN(C(=O)NCCCC(C)(C)CO)C2 CC(C)(CO)[*:1] CC(=O)Nc1cccc2CN(CCc21)C(=O)NCCC[*:1]
CCN1CCN(C(=O)C2(c3ccc(C)cc3)CCOCC2)CC1 Cc1ccc(cc1)[*:1] CCN1CCN(CC1)C(=O)C1(CCOCC1)[*:1]
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O O=C(N1CCCCC1)[*:1] CC[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O Fc1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CC(=O)N2CCCCC2)C1=O)[*:1]
CC[C@@H](Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1)C(=O)NC C1CN(CCO1)[*:1] CC[C@@H](Nc1ccc(cn1)C(=O)N1CCC(CC1)[*:1])C(=O)NC
CC[C@@H](Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1)C(=O)NC CNC(=O)[*:1] CC[C@@H](Nc1ccc(cn1)C(=O)N1CCC(CC1)N1CCOCC1)[*:1]
O=C(NCc1nccn1Cc1ccccc1)[C@H]1COc2ccccc2C1 c1ccc(cc1)[*:1] O=C(NCc1nccn1C[*:1])[C@H]1COc2ccccc2C1
O=C(NCc1nccn1Cc1ccccc1)[C@H]1COc2ccccc2C1 c1ccc(cc1)C[*:1] O=C(NCc1nccn1[*:1])[C@H]1COc2ccccc2C1
Cc1ccc(F)cc1S(=O)(=O)N1CCc2nc3ccc(Cl)cc3cc2C1 Cc1ccc(F)cc1[*:1] O=S(=O)(N1CCc2nc3ccc(Cl)cc3cc2C1)[*:1]
CC(=O)NNC(=O)CN[C@@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] CC(=O)NNC(=O)CN[C@@](C)(C(=O)[O-])[*:1]
CC(=O)NNC(=O)CN[C@@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] CC(=O)NNC(=O)CN[C@@](C)(C(F)(F)F)[*:1]
CCCN(CC1CC1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 CCC[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] CCCN(CC1CC1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCN(CC1CC1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 C1CC1[*:1] CCCN(C[*:1])C(=O)Nc1ccc(c(Cl)c1)[N+](=O)[O-]
CCCN(CC1CC1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 C1CC1C[*:1] CCCN(C(=O)Nc1ccc(c(Cl)c1)[N+](=O)[O-])[*:1]
Cc1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1[N+](=O)[O-] C1CN(CCO1)[*:1] Cc1cccc(C(=O)Nc2ccc(cc2)-c2csc(n2)[*:1])c1[N+](=O)[O-]
Cc1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C(=O)Nc2ccc(cc2)-c2csc(n2)N2CCOCC2)c1[*:1]
Cc1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1[N+](=O)[O-] Cc1cccc(c1[N+](=O)[O-])[*:1] O=C(Nc1ccc(cc1)-c1csc(n1)N1CCOCC1)[*:1]
CCn1cc[nH+]c(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1=O O=[N+]([O-])[*:1] CCn1cc[nH+]c(c1=O)N1CC[C@H](C1)Nc1ccc(cn1)[*:1]
[NH3+][C@H](Cc1ccccc1)c1nnc(SCc2ccccc2Cl)o1 Clc1ccccc1[*:1] [NH3+][C@H](Cc1ccccc1)c1nnc(o1)SC[*:1]
[NH3+][C@H](Cc1ccccc1)c1nnc(SCc2ccccc2Cl)o1 c1ccc(cc1)[*:1] [NH3+][C@H](C[*:1])c1nnc(o1)SCc1ccccc1Cl
[NH3+][C@H](Cc1ccccc1)c1nnc(SCc2ccccc2Cl)o1 c1ccc(cc1)C[*:1] [NH3+][C@H](c1nnc(o1)SCc1ccccc1Cl)[*:1]
Cc1ccnc2c1nc([C@H](C)Cl)n2C[C@H]1CCOC1 C[C@H](Cl)[*:1] Cc1ccnc2c1nc(n2C[C@H]1CCOC1)[*:1]
Cc1ccnc2c1nc([C@H](C)Cl)n2C[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] Cc1ccnc2c1nc([C@H](C)Cl)n2C[*:1]
Cc1ccnc2c1nc([C@H](C)Cl)n2C[C@H]1CCOC1 C1C[C@@H](CO1)C[*:1] Cc1ccnc2c1nc([C@H](C)Cl)n2[*:1]
CCc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)o1 CCc1ccc(o1)[*:1] O=C(N1C[C@H](O)C[C@H]1c1cc(F)ccc1F)[*:1]
CN1/C(=C(/C#N)C(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)Nc2ccccc21 c1ccc(cc1)[*:1] CN1/C(Nc2ccccc21)=C(/C#N)C(=O)c1cc[n+](cc1)CC(=O)[*:1]
CN1/C(=C(/C#N)C(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)Nc2ccccc21 O=C(C[*:1])c1ccccc1 CN1/C(Nc2ccccc21)=C(/C#N)C(=O)c1cc[n+](cc1)[*:1]
CN1/C(=C(/C#N)C(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)Nc2ccccc21 O=C(c1ccccc1)[*:1] CN1/C(Nc2ccccc21)=C(/C#N)C(=O)c1cc[n+](cc1)C[*:1]
O=C(NC[C@@H](O)c1ccco1)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(NC[C@@H](O)c1ccco1)c1cn(nn1)[*:1]
O=C(NC[C@@H](O)c1ccco1)c1cn(-c2ccccc2)nn1 c1coc(c1)[*:1] O=C(NC[C@@H](O)[*:1])c1cn(nn1)-c1ccccc1
CNc1ccc(C[NH+]2C[C@H]3CC=CC[C@@H]3C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])C[NH+]1C[C@H]2CC=CC[C@@H]2C1
Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)Cc1cccc2ccccc12 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)CNC(=O)Cc1cccc2ccccc12)[*:1]
CC1=C(C(=O)Nc2cc(C)ccc2C)[C@H](c2ccc(Cl)cc2)NC(=O)N1 Cc1ccc(C)c(c1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1ccc(Cl)cc1
CC1=C(C(=O)Nc2cc(C)ccc2C)[C@H](c2ccc(Cl)cc2)NC(=O)N1 Clc1ccc(cc1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1cc(C)ccc1C)[*:1]
CC(C)=CC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] CC(C)=CC(=O)Nc1cccn(C[*:1])c1=O
CC(C)=CC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O CC(C)=C[*:1] O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)[*:1]
CC(C)=CC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O CC(C)=CC(=O)N[*:1] O=c1c(cccn1Cc1ccc(F)cc1)[*:1]
COC(=O)[C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 COC(=O)[*:1] c1ccc(cc1)C(c1ccccc1)(c1ccccc1)N1C[C@@H]1[*:1]
COC(=O)[C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H]1CN1C(c1ccccc1)(c1ccccc1)[*:1]
Cc1cc(C)cc(N/C(=N/C(=O)c2cccc(Cl)c2)NCCc2c(C)nn(C)c2C)c1 Cc1nn(C)c(C)c1[*:1] Cc1cc(C)cc(c1)N/C(=N/C(=O)c1cccc(Cl)c1)NCC[*:1]
Cc1cc(C)cc(N/C(=N/C(=O)c2cccc(Cl)c2)NCCc2c(C)nn(C)c2C)c1 Cc1nn(C)c(C)c1C[*:1] Cc1cc(C)cc(c1)N/C(=N/C(=O)c1cccc(Cl)c1)NC[*:1]
Cc1cc(C)cc(N/C(=N/C(=O)c2cccc(Cl)c2)NCCc2c(C)nn(C)c2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1nn(C)c(C)c1CCN/C(=N\C(=O)c1cccc(Cl)c1)N[*:1]
Cc1cc(C)cc(N/C(=N/C(=O)c2cccc(Cl)c2)NCCc2c(C)nn(C)c2C)c1 Clc1cccc(c1)[*:1] Cc1cc(C)cc(c1)N/C(=N/C(=O)[*:1])NCCc1c(C)nn(C)c1C
Cc1cc(C)cc(N/C(=N/C(=O)c2cccc(Cl)c2)NCCc2c(C)nn(C)c2C)c1 Cc1nn(C)c(C)c1CC[*:1] Cc1cc(C)cc(c1)N/C(=N/C(=O)c1cccc(Cl)c1)N[*:1]
CCc1ccc(N2C[C@@H](C(=O)NCc3nc4ccccc4s3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(NCc1nc2ccccc2s1)[C@H]1CC(=O)N(C1)[*:1]
CCc1ccc(N2C[C@@H](C(=O)NCc3nc4ccccc4s3)CC2=O)cc1 c1ccc2sc(nc2c1)[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NC[*:1]
CN(CCc1ccccc1Cl)c1ncc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] CN(CCc1ccccc1Cl)c1ncc(s1)[*:1]
CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@H](C)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@H](C)[*:1]
CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@H](C)C(=O)[O-] CC[C@@H](C)[*:1] C[C@@H](NC(=O)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)[*:1])C(=O)[O-]
CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@H](C)C(=O)[O-] C[C@@H](NC(=O)[*:1])C(=O)[O-] CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)[*:1]
CCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(C)=O CC(=O)[*:1] CCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1[*:1]
CCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(C)=O CCO[*:1] CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1[*:1]
O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 Clc1ccc(O[*:1])c(Cl)c1 O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(cc1)[*:1]
Cn1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1 Cn1ccc(n1)NC(=O)[*:1] Fc1ccc(cc1)-c1[nH]c2ccccc2c1CC[*:1]
Cn1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1 Cn1ccc(n1)[*:1] O=C(CCc1c([nH]c2ccccc12)-c1ccc(F)cc1)N[*:1]
Cn1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1 Fc1ccc(cc1)[*:1] Cn1ccc(n1)NC(=O)CCc1c([nH]c2ccccc12)[*:1]
Cc1ccc(NC(=O)c2cccc(OCc3nsc(N(C)C)n3)c2)cc1 Cc1ccc(cc1)[*:1] CN(C)c1nc(COc2cccc(c2)C(=O)N[*:1])ns1
Cc1ccc(NC(=O)c2cccc(OCc3nsc(N(C)C)n3)c2)cc1 CN(C)[*:1] Cc1ccc(cc1)NC(=O)c1cccc(c1)OCc1nsc(n1)[*:1]
NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 NC(=O)C[*:1] O=C(O[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1
NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 NC(=O)[*:1] O=C(OC[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1
NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 NC(=O)COC(=O)[*:1] O=S(=O)(c1cc(ccc1Cl)[*:1])N1CCCCCC1
COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)C(=O)NNC(=O)[*:1]
COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NNC(=O)C(=O)N[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ccc(F)c(F)c3F)CC2)cc1 CCO[*:1] O=C(c1ccc(F)c(F)c1F)N1CC=C(CC1)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)/C=C/Nc2ccccc2C(N)=O)cc1C NC(=O)[*:1] Cc1ccc(cc1C)C(=O)/C=C/Nc1ccccc1[*:1]
Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N[*:1]
COc1ccc(F)cc1NC(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1 CC(C)NC(=O)[*:1] COc1ccc(F)cc1NC(=O)N[C@H]1CCC[C@H](C1)[*:1]
COc1ccc(F)cc1NC(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1 CC(C)[*:1] COc1ccc(F)cc1NC(=O)N[C@H]1CCC[C@@H](C1)C(=O)N[*:1]
CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2[*:1]
NC(=S)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=S)N/N=C/c1ccc(Br)c(c1)[*:1]
COc1nc2ccccc2cc1C[NH2+]Cc1ncn(C)n1 Cn1cnc(n1)[*:1] COc1nc2ccccc2cc1C[NH2+]C[*:1]
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cnc(Cl)nc2Cl)C1 Clc1ncc(c(Cl)n1)[*:1] CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C1)C[*:1]
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cnc(Cl)nc2Cl)C1 CC(C)(C)[*:1] CN(C(=O)O[*:1])[C@@H]1CCCN(Cc2cnc(Cl)nc2Cl)C1
CN(C)c1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cn1 Fc1ccccc1C[*:1] CN(C)c1ccc(cn1)C(=O)N1CCC(CC1)O[*:1]
CN(C)c1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cn1 Fc1ccccc1[*:1] CN(C)c1ccc(cn1)C(=O)N1CCC(CC1)OC[*:1]
CN(C)c1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cn1 CN(C)[*:1] O=C(c1ccc(nc1)[*:1])N1CCC(CC1)OCc1ccccc1F
CCCc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)no1 Fc1ccc(cc1)[*:1] CCCc1cc(no1)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CCCc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)no1 CCC[*:1] O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cc(on1)[*:1]
CCCc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)no1 CCCc1cc(no1)[*:1] O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)[*:1]
COc1cc(C(=O)Nc2cccc(F)c2C)sc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1cc(sc1[*:1])C(=O)Nc1cccc(F)c1C
CC1(C)[C@@H](CCc2ccccc2)CC[C@]1(C)C(=O)[O-] c1ccc(cc1)[*:1] CC1(C)[C@H](CC[C@]1(C)C(=O)[O-])CC[*:1]
CC1(C)[C@@H](CCc2ccccc2)CC[C@]1(C)C(=O)[O-] O=C([O-])[*:1] CC1(C)[C@@H](CCc2ccccc2)CC[C@@]1(C)[*:1]
C[C@@]1(c2ccccc2)CCCN(C(=O)NCCCOC[C@H]2CCOC2)C1 C1C[C@@H](CO1)COC[*:1] C[C@]1(CCCN(C1)C(=O)NCC[*:1])c1ccccc1
C[C@@]1(c2ccccc2)CCCN(C(=O)NCCCOC[C@H]2CCOC2)C1 C1C[C@@H](CO1)[*:1] C[C@]1(CCCN(C1)C(=O)NCCCOC[*:1])c1ccccc1
C[C@@]1(c2ccccc2)CCCN(C(=O)NCCCOC[C@H]2CCOC2)C1 c1ccc(cc1)[*:1] C[C@]1(CCCN(C1)C(=O)NCCCOC[C@H]1CCOC1)[*:1]
C[C@@]1(c2ccccc2)CCCN(C(=O)NCCCOC[C@H]2CCOC2)C1 C1C[C@@H](CO1)C[*:1] C[C@]1(CCCN(C1)C(=O)NCCCO[*:1])c1ccccc1
C[C@@]1(c2ccccc2)CCCN(C(=O)NCCCOC[C@H]2CCOC2)C1 C1C[C@@H](CO1)CO[*:1] C[C@]1(CCCN(C1)C(=O)NCCC[*:1])c1ccccc1
CC(=O)NCCNC(=O)[C@H](C)NC(=O)c1ccccc1Cl CC(=O)NCC[*:1] C[C@H](NC(=O)c1ccccc1Cl)C(=O)N[*:1]
CC(=O)NCCNC(=O)[C@H](C)NC(=O)c1ccccc1Cl CC(=O)N[*:1] C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[*:1]
CC(=O)NCCNC(=O)[C@H](C)NC(=O)c1ccccc1Cl CC(=O)NC[*:1] C[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[*:1]
CC(=O)NCCNC(=O)[C@H](C)NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] CC(=O)NCCNC(=O)[C@H](C)NC(=O)[*:1]
O=C(NCc1ccccc1)C1CCN(C(=O)C2CCOCC2)CC1 c1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)C1CCOCC1
O=C(NCc1ccccc1)C1CCN(C(=O)C2CCOCC2)CC1 c1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)C1CCOCC1
O=C(NCc1ccccc1)C1CCN(C(=O)C2CCOCC2)CC1 C1CC(CCO1)[*:1] O=C(NCc1ccccc1)C1CCN(CC1)C(=O)[*:1]
CN(Cc1nccn1Cc1ccccc1)C(=O)c1cccc(F)c1Cl c1ccc(cc1)[*:1] CN(Cc1nccn1C[*:1])C(=O)c1cccc(F)c1Cl
CN(Cc1nccn1Cc1ccccc1)C(=O)c1cccc(F)c1Cl c1ccc(cc1)C[*:1] CN(Cc1nccn1[*:1])C(=O)c1cccc(F)c1Cl
CN(Cc1nccn1Cc1ccccc1)C(=O)c1cccc(F)c1Cl Fc1cccc(c1Cl)[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)[*:1]
COCc1ccccc1N[C@@H]1CC[C@H]([NH3+])C1 COC[*:1] [NH3+][C@H]1CC[C@H](C1)Nc1ccccc1[*:1]
CN(CC1CC1)C(=O)CSCc1cccc(Br)c1 C1CC1C[*:1] CN(C(=O)CSCc1cccc(Br)c1)[*:1]
CN(CC1CC1)C(=O)CSCc1cccc(Br)c1 C1CC1[*:1] CN(C[*:1])C(=O)CSCc1cccc(Br)c1
Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)no1 Cc1cc(no1)[*:1] CC(C)c1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N(C)C[*:1]
Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)no1 CC(C)[*:1] Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(C2)c2ccc(cc2)[*:1])no1
Cc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)no1 Cc1cc(C[*:1])no1 CC(C)c1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N(C)[*:1]
CNC(=O)c1oc2c(c1C)[C@@H]1N=C(C)S[C@@H]1CC2 CNC(=O)[*:1] CC1=N[C@H]2c3c(CC[C@H]2S1)oc(c3C)[*:1]
CCC([NH3+])(CC)C(=O)N(Cc1c(F)cccc1Cl)C1CC1 C1CC1[*:1] CCC([NH3+])(CC)C(=O)N(Cc1c(F)cccc1Cl)[*:1]
Cc1nn(C)c2nc(-c3ccccn3)nc(N[C@@H](C)Cc3cnccn3)c12 c1ccc(nc1)[*:1] Cc1nn(C)c2nc(nc(N[C@@H](C)Cc3cnccn3)c12)[*:1]
Cc1nn(C)c2nc(-c3ccccn3)nc(N[C@@H](C)Cc3cnccn3)c12 c1cnc(cn1)C[*:1] Cc1nn(C)c2nc(nc(N[C@@H](C)[*:1])c12)-c1ccccn1
Cc1nn(C)c2nc(-c3ccccn3)nc(N[C@@H](C)Cc3cnccn3)c12 c1cnc(cn1)[*:1] Cc1nn(C)c2nc(nc(N[C@@H](C)C[*:1])c12)-c1ccccn1
N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@@H]4CCCC[C@H]4C3)c2)nc1 N#Cc1ccc(nc1)O[*:1] O=C(Nc1cccc(c1)[*:1])N1C[C@@H]2CCCC[C@H]2C1
N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@@H]4CCCC[C@H]4C3)c2)nc1 N#Cc1ccc(nc1)[*:1] O=C(Nc1cccc(c1)O[*:1])N1C[C@@H]2CCCC[C@H]2C1
CCOc1ccccc1NCc1cc(=O)oc2cc(C)ccc12 CCO[*:1] Cc1ccc2c(cc(=O)oc2c1)CNc1ccccc1[*:1]
CCc1ccc(CC)c(NCc2nsc(N(C)C)n2)c1 CN(C)[*:1] CCc1ccc(CC)c(c1)NCc1nsc(n1)[*:1]
CC[C@@H](C)N[C@@H]1CCCC[C@@H]1[NH3+] CC[C@@H](C)[*:1] [NH3+][C@H]1CCCC[C@H]1N[*:1]
Cn1cnc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cn1cnc(c1)S(=O)(=O)NCCC(=O)N1CCN(CC1)[*:1]
Cn1cnc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)c1 Cn1cnc(c1)[*:1] O=C(CCNS(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1
C[C@H]1CC[C@@H](C(N)=O)CN1c1ncc(N)cc1Br NC(=O)[*:1] C[C@H]1CC[C@@H](CN1c1ncc(N)cc1Br)[*:1]
O=C(Nc1ccc(Br)cc1Cl)[C@H]1CC=CC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1ccc(Br)cc1Cl)[C@H]1CC=CC[C@@H]1[*:1]
Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)C2CCCCC2)c1C C1CCC(CC1)[*:1] Cc1noc(-c2cnc(nc2[C@H]2CCCCN2C(=O)[*:1])N(C)C)c1C
Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)C2CCCCC2)c1C CN(C)[*:1] Cc1noc(-c2cnc(nc2[C@H]2CCCCN2C(=O)C2CCCCC2)[*:1])c1C
Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)C2CCCCC2)c1C Cc1noc(c1C)[*:1] CN(C)c1ncc(c(n1)[C@H]1CCCCN1C(=O)C1CCCCC1)[*:1]
CC[C@](C)(CCO)NC(=O)Nc1cc(COC)ncn1 COC[*:1] CC[C@](C)(CCO)NC(=O)Nc1cc(ncn1)[*:1]
CC[C@](C)(CCO)NC(=O)Nc1cc(COC)ncn1 OCC[*:1] CC[C@](C)(NC(=O)Nc1cc(COC)ncn1)[*:1]
Cc1cccc(CC(=O)N2CCC(Cn3ccc4cccnc43)CC2)c1 Cc1cccc(c1)C[*:1] O=C(N1CCC(CC1)Cn1ccc2cccnc21)[*:1]
Cc1cccc(CC(=O)N2CCC(Cn3ccc4cccnc43)CC2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])N1CCC(CC1)Cn1ccc2cccnc21
C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)[*:1]
C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)[C@H]1CCCO1 c1coc(c1)[*:1] C[C@H](OC(=O)[C@@H](C)NC(=O)[*:1])[C@H]1CCCO1
CC(C)[C@@H](CO)NC(=O)Nc1ccccc1S[C@@H](C)CC#N C[C@@H](CC#N)S[*:1] CC(C)[C@@H](CO)NC(=O)Nc1ccccc1[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1ccccc1S[C@@H](C)CC#N CC(C)[C@@H](CO)[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)N[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1ccccc1S[C@@H](C)CC#N N#CC[*:1] CC(C)[C@@H](CO)NC(=O)Nc1ccccc1S[C@@H](C)[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1ccccc1S[C@@H](C)CC#N CC(C)[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CO)[*:1]
CC[NH+]1CCN(CCCN2CC3(CC[NH+](Cc4ccc(C)o4)CC3)OC2=O)CC1 Cc1ccc(o1)[*:1] CC[NH+]1CCN(CCCN2CC3(CC[NH+](CC3)C[*:1])OC2=O)CC1
CC[NH+]1CCN(CCCN2CC3(CC[NH+](Cc4ccc(C)o4)CC3)OC2=O)CC1 Cc1ccc(C[*:1])o1 CC[NH+]1CCN(CCCN2CC3(CC[NH+](CC3)[*:1])OC2=O)CC1
Cc1nnsc1-c1noc(CS(=O)(=O)c2ccc(Cl)cc2)n1 Cc1nnsc1[*:1] O=S(=O)(Cc1nc(no1)[*:1])c1ccc(Cl)cc1
Cc1nnsc1-c1noc(CS(=O)(=O)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1nnsc1-c1noc(CS(=O)(=O)[*:1])n1
CC(C)N(CC(F)(F)F)c1nc(C(F)(F)F)ccc1CN FC(F)(F)[*:1] CC(C)N(CC(F)(F)F)c1nc(ccc1CN)[*:1]
CC(C)N(CC(F)(F)F)c1nc(C(F)(F)F)ccc1CN FC(F)(F)[*:1] CC(C)N(C[*:1])c1nc(ccc1CN)C(F)(F)F
CC(C)N(CC(F)(F)F)c1nc(C(F)(F)F)ccc1CN FC(F)(F)C[*:1] CC(C)N(c1nc(ccc1CN)C(F)(F)F)[*:1]
CC(C)N(CC(F)(F)F)c1nc(C(F)(F)F)ccc1CN CC(C)[*:1] NCc1ccc(nc1N(CC(F)(F)F)[*:1])C(F)(F)F
C#CCNC(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 Cc1ccc(cc1)[*:1] C#CCNC(=O)N(CC[*:1])C[C@H]1CCCO1
C#CCNC(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C#CCNC(=O)N(CCc1ccc(C)cc1)C[*:1]
C#CCNC(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 C#CC[*:1] Cc1ccc(cc1)CCN(C[C@H]1CCCO1)C(=O)N[*:1]
C#CCNC(=O)N(CCc1ccc(C)cc1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C#CCNC(=O)N(CCc1ccc(C)cc1)[*:1]
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1CC(C)C O=[N+]([O-])[*:1] Cc1ccc(cc1C(=O)N1CCOC[C@@H]1CC(C)C)[*:1]
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1CC(C)C CC(C)[*:1] Cc1ccc(cc1C(=O)N1CCOC[C@@H]1C[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1CC(C)C CC(C)C[*:1] Cc1ccc(cc1C(=O)N1CCOC[C@H]1[*:1])[N+](=O)[O-]
O=C(Cn1cc(C(F)(F)F)ccc1=O)OCCN1C(=O)c2ccccc2C1=O FC(F)(F)[*:1] O=C(Cn1cc(ccc1=O)[*:1])OCCN1C(=O)c2ccccc2C1=O
O=C(COc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1ncnc2c1nnn2-c1ccccc1
O=C(COc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=C(N1CCN(CC1)c1ncnc2c1nnn2-c1ccccc1)[*:1]
O=C(COc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccccc1)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
O=C(COc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)c1ncnc2c1nnn2-c1ccccc1
O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)Nc1nncs1 c1nnc(s1)[*:1] O=C(NCC1(CCCC1)c1cccc(c1)C(F)(F)F)N[*:1]
O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)Nc1nncs1 FC(F)(F)[*:1] O=C(NCC1(CCCC1)c1cccc(c1)[*:1])Nc1nncs1
Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(cc1)[*:1]
Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 Cc1cccc(C)c1[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)[C@H](C)O[*:1]
Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 Cc1cccc(C)c1O[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)[C@H](C)[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)N[C@H](C(N)=O)C(C)(C)C NC(=O)[*:1] CCN(CC)C(=O)c1ccccc1NC(=O)N[C@H](C(C)(C)C)[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)N[C@H](C(N)=O)C(C)(C)C CC(C)(C)[*:1] CCN(CC)C(=O)c1ccccc1NC(=O)N[C@H](C(N)=O)[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)N[C@H](C(N)=O)C(C)(C)C CCN(CC)C(=O)[*:1] CC(C)(C)[C@H](NC(=O)Nc1ccccc1[*:1])C(N)=O
C[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1SC1COC1 C1OCC1[*:1] C[NH2+][C@H]1c2ccc(cc2CC[C@H]1S[*:1])OC
C[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1SC1COC1 C1OCC1S[*:1] C[NH2+][C@H]1c2ccc(cc2CC[C@@H]1[*:1])OC
Cc1noc(C)c1C[C@H](C)NC(=O)N(C)CC(F)F FC(F)[*:1] Cc1noc(C)c1C[C@H](C)NC(=O)N(C)C[*:1]
Cc1noc(C)c1C[C@H](C)NC(=O)N(C)CC(F)F FC(F)C[*:1] Cc1noc(C)c1C[C@H](C)NC(=O)N(C)[*:1]
Cc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1 O=C(C(F)(F)F)[*:1] Cc1ccc(cc1)OCCn1cc(c2ccccc21)[*:1]
Cc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(c1cn(CCO[*:1])c2ccccc12)C(F)(F)F
Cc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1 Cc1ccc(cc1)O[*:1] O=C(c1cn(CC[*:1])c2ccccc12)C(F)(F)F
Cc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)OCCn1cc(C(=O)[*:1])c2ccccc21
Cc1cc(Br)ccc1SCC(=O)N1CCC(C(=O)N(C)C)CC1 CN(C)C(=O)[*:1] Cc1cc(Br)ccc1SCC(=O)N1CCC(CC1)[*:1]
Cc1cccc2c(CC(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)c[nH]c12 c1coc(c1)[*:1] Cc1cccc2c(c[nH]c12)CC(=O)NC[C@@H]([NH+]1CCCCC1)[*:1]
CCC(=O)N[C@H]1CCCN(C(=O)c2nc([O-])c3ccccc3n2)C1 CCC(=O)N[*:1] O=C(c1nc([O-])c2ccccc2n1)N1CCC[C@@H](C1)[*:1]
C=CCN1C(=O)N[C@](NC(=O)c2ccccc2)(C(F)(F)F)C1=O C=CC[*:1] O=C(N[C@@]1(NC(=O)N(C1=O)[*:1])C(F)(F)F)c1ccccc1
C=CCN1C(=O)N[C@](NC(=O)c2ccccc2)(C(F)(F)F)C1=O c1ccc(cc1)[*:1] C=CCN1C(=O)N[C@@](NC(=O)[*:1])(C1=O)C(F)(F)F
C=CCN1C(=O)N[C@](NC(=O)c2ccccc2)(C(F)(F)F)C1=O FC(F)(F)[*:1] C=CCN1C(=O)N[C@](NC(=O)c2ccccc2)(C1=O)[*:1]
COc1ccccc1[C@H](NS(=O)(=O)c1cnoc1)c1ccccn1 COc1ccccc1[*:1] O=S(=O)(N[C@H](c1ccccn1)[*:1])c1cnoc1
COc1ccccc1[C@H](NS(=O)(=O)c1cnoc1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NS(=O)(=O)c1cnoc1)[*:1]
Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]([NH3+])[C@@H](C)O Cc1cccc(C)c1[*:1] C[C@@H](O)[C@H]([NH3+])C(=O)NCc1cccnc1O[*:1]
C=CCONC(=O)Nc1ccc(Cl)cc1 C=CC[*:1] O=C(NO[*:1])Nc1ccc(Cl)cc1
CCC[NH2+][C@@H](c1sc(C)cc1Br)[C@@H]1CCO[C@@H]1C CCC[*:1] Cc1cc(Br)c(s1)[C@H]([NH2+][*:1])[C@@H]1CCO[C@@H]1C
CCC[NH2+][C@@H](c1sc(C)cc1Br)[C@@H]1CCO[C@@H]1C C[C@H]1OCC[C@H]1[*:1] CCC[NH2+][C@@H](c1sc(C)cc1Br)[*:1]
CCN1C(=O)N[C@@H](c2cccc(F)c2)[C@@H]2C(=O)CC(C)(C)C[C@@]21O Fc1cccc(c1)[*:1] CCN1C(=O)N[C@@H]([C@@H]2C(=O)CC(C)(C)C[C@@]21O)[*:1]
Cc1cccc(C(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)c1 Cc1cccc(c1)[*:1] Cc1nn(-c2ccc(cc2)NC(=O)[*:1])c(C)c1Cl
Cc1cccc(C(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)c1 Cc1nn(c(C)c1Cl)[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)[C@H](C)C(=O)N[*:1])-c1ccc(F)cc1
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NC2CCCC2)CC1 Fc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)[C@H](C)C(=O)NC1CCCC1)[*:1]
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NC2CCCC2)CC1 O=C(NC1CCCC1)[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)[C@H](C)[*:1])-c1ccc(F)cc1
Cc1cccc(OCC(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])NC[C@H]1C[NH+]2CCN1CC2
Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 O=C(Nc1ccncc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)C(c3ccccc3)c3ccccc3)c21)[*:1]
Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 c1cc(ccn1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)C(c3ccccc3)c3ccccc3)c21)C(=O)N[*:1]
Cc1c(C(=O)Nc2ccncc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 c1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)C(c3ccccc3)[*:1])c21)C(=O)Nc1ccncc1
Cn1c(C(=O)NCC(=O)Nc2cccc(Cl)c2)cc2occc21 Clc1cccc(c1)[*:1] Cn1c(cc2occc21)C(=O)NCC(=O)N[*:1]
COC(=O)c1ccccc1N(C)Cc1cccc(O)c1 COC(=O)[*:1] CN(Cc1cccc(O)c1)c1ccccc1[*:1]
CC(=O)c1cc2c(cc1NC(=O)/C=C/c1cccc(F)c1)OCO2 Fc1cccc(c1)[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)C=C[*:1]
CC(=O)c1cc2c(cc1NC(=O)/C=C/c1cccc(F)c1)OCO2 CC(=O)[*:1] O=C(/C=C/c1cccc(F)c1)Nc1cc2OCOc2cc1[*:1]
CC(C)Oc1ccc(C2=CCCCC2)cc1OC(C)C CC(C)[*:1] CC(C)Oc1cc(ccc1O[*:1])C1=CCCCC1
CC(C)Oc1ccc(C2=CCCCC2)cc1OC(C)C CC(C)O[*:1] CC(C)Oc1cc(ccc1[*:1])C1=CCCCC1
CC(C)Oc1ccc(C2=CCCCC2)cc1OC(C)C CC(C)O[*:1] CC(C)Oc1ccc(cc1[*:1])C1=CCCCC1
CC(C)Oc1ccc(C2=CCCCC2)cc1OC(C)C CC(C)[*:1] CC(C)Oc1ccc(cc1O[*:1])C1=CCCCC1
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@@H](C)NC(=O)C2CCCCC2)c(F)c1 C1CCC(CC1)[*:1] Cc1ccc(c(F)c1)S(=O)(=O)/N=C(\[O-])[C@@H](C)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@@H](C)NC(=O)C2CCCCC2)c(F)c1 Cc1ccc(c(F)c1)[*:1] C[C@@H](NC(=O)C1CCCCC1)/C([O-])=N/S(=O)(=O)[*:1]
Cc1nc(C2CCN(C(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)CC2)no1 CC(C)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1]
Cc1nc(C2CCN(C(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)CC2)no1 Cc1nc(no1)[*:1] CC(C)[C@@H](CNC(=O)N1CCC(CC1)[*:1])N1CC[NH+](C)CC1
COc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)ccc1OC(=O)c1cccs1 c1csc(c1)[*:1] COc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)ccc1OC(=O)[*:1]
COc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)ccc1OC(=O)c1cccs1 Cc1cc(=O)[nH]c(n1)[*:1] COc1cc(/C=N/N[*:1])ccc1OC(=O)c1cccs1
COc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)ccc1OC(=O)c1cccs1 O=C(O[*:1])c1cccs1 COc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)ccc1[*:1]
CC(=O)Nc1cccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c1 CC(=O)N[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])c1cccc(Cl)c1
CC(=O)Nc1cccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CC(=O)Nc1cccc(c1)C(=O)N[C@H](C)[*:1]
CCc1nsc(N(CC[NH+](C)C)Cc2ccccc2)n1 c1ccc(cc1)[*:1] CCc1nsc(n1)N(CC[NH+](C)C)C[*:1]
C#Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccccc2C(=O)OC)c1 C#Cc1cccc(c1)[*:1] COC(=O)c1ccccc1NC(=O)N(C)CC(=O)N[*:1]
C#Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccccc2C(=O)OC)c1 COC(=O)[*:1] C#Cc1cccc(c1)NC(=O)CN(C)C(=O)Nc1ccccc1[*:1]
CCOC(=O)[C@](C)(O)[C@H](C)c1cc(F)cc(F)c1 CCOC(=O)[*:1] C[C@H](c1cc(F)cc(F)c1)[C@](C)(O)[*:1]
Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1Cc1cccs1 c1csc(c1)C[*:1] Cc1cc(C(=O)N2CCN(CC2)Cc2ccccc2)c(C)n1[*:1]
Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1Cc1cccs1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)N2CCN(CC2)[*:1])c(C)n1Cc1cccs1
Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1Cc1cccs1 c1csc(c1)[*:1] Cc1cc(C(=O)N2CCN(CC2)Cc2ccccc2)c(C)n1C[*:1]
Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1Cc1cccs1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCN(CC2)C[*:1])c(C)n1Cc1cccs1
C=CCN1CCN(C(=O)CC(C)(C)C)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O c1cc(ccn1)[*:1] C=CCN1CCN(C[C@@H](Cc2cccc(c2)[*:1])C1=O)C(=O)CC(C)(C)C
C=CCN1CCN(C(=O)CC(C)(C)C)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O CC(C)(C)C[*:1] C=CCN1CCN(C[C@@H](Cc2cccc(c2)-c2ccncc2)C1=O)C(=O)[*:1]
C=CCN1CCN(C(=O)CC(C)(C)C)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O CC(C)(C)[*:1] C=CCN1CCN(C[C@@H](Cc2cccc(c2)-c2ccncc2)C1=O)C(=O)C[*:1]
C=CCN1CCN(C(=O)CC(C)(C)C)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O C=CC[*:1] CC(C)(C)CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(c2)-c2ccncc2)C1)[*:1]
CCN(C(=O)Cc1csc(-c2cnccn2)n1)[C@H](C)C(C)C c1cnc(cn1)[*:1] CCN(C(=O)Cc1csc(n1)[*:1])[C@H](C)C(C)C
CCN(C(=O)Cc1csc(-c2cnccn2)n1)[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CCN(C(=O)Cc1csc(n1)-c1cnccn1)[*:1]
CCN(C(=O)Cc1csc(-c2cnccn2)n1)[C@H](C)C(C)C CC(C)[*:1] CCN(C(=O)Cc1csc(n1)-c1cnccn1)[C@H](C)[*:1]
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)C1 c1cc2OCOc2cc1[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1 CC(=O)c1cccc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c1 CC(=O)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](CO)[C@H](C)[NH2+]Cc1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](CO)[C@H](C)[NH2+]Cc1ccn(n1)[*:1]
CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Cc1ccc[nH]1 CS(=O)(=O)N[*:1] O=C(Cc1ccc[nH]1)N1CCCC[C@@H]1CC[*:1]
CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C[*:1]
CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)[*:1]
CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Cc1ccc[nH]1 CS(=O)(=O)NCC[*:1] O=C(Cc1ccc[nH]1)N1CCCC[C@@H]1[*:1]
CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Cc1ccc[nH]1 CS(=O)(=O)NC[*:1] O=C(Cc1ccc[nH]1)N1CCCC[C@@H]1C[*:1]
CCCCS(=O)(=O)[N-]c1ccc(NC(=O)c2cnc(C)cn2)cc1 CCCC[*:1] Cc1cnc(cn1)C(=O)Nc1ccc(cc1)[N-]S(=O)(=O)[*:1]
CCCCS(=O)(=O)[N-]c1ccc(NC(=O)c2cnc(C)cn2)cc1 CCC[*:1] Cc1cnc(cn1)C(=O)Nc1ccc(cc1)[N-]S(=O)(=O)C[*:1]
CCCCS(=O)(=O)[N-]c1ccc(NC(=O)c2cnc(C)cn2)cc1 Cc1cnc(cn1)[*:1] CCCCS(=O)(=O)[N-]c1ccc(cc1)NC(=O)[*:1]
O=C1C[C@@H](C(=O)N2CCN(C3CCOCC3)CC2)c2cc(F)ccc2N1 C1CC(CCO1)[*:1] O=C1C[C@@H](C(=O)N2CCN(CC2)[*:1])c2cc(F)ccc2N1
O=S(=O)(CCOc1ccccc1)Cc1ccon1 c1cc(no1)[*:1] O=S(=O)(CCOc1ccccc1)C[*:1]
O=S(=O)(CCOc1ccccc1)Cc1ccon1 c1cc(C[*:1])no1 O=S(=O)(CCOc1ccccc1)[*:1]
O=S(=O)(CCOc1ccccc1)Cc1ccon1 c1ccc(cc1)[*:1] O=S(=O)(CCO[*:1])Cc1ccon1
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CCN(Cc1ccc2OCOc2c1)C(=O)Nc1cc(ccc1C)[*:1]
O=C(CCCC(=O)N1CCN(c2ccccc2F)CC1)N1CCCCC1 Fc1ccccc1[*:1] O=C(CCCC(=O)N1CCN(CC1)[*:1])N1CCCCC1
O=C(CCCC(=O)N1CCN(c2ccccc2F)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(CCC[*:1])N1CCN(CC1)c1ccccc1F
O=C([O-])C[NH+]1CCN(C(=O)c2ccc(F)c(F)c2F)CC1 O=C([O-])[*:1] O=C(c1ccc(F)c(F)c1F)N1CC[NH+](CC1)C[*:1]
COC[C@H](NC(=O)NC[C@H](O)c1ccc(C)cc1)c1ccc(F)c(F)c1 COC[*:1] Cc1ccc(cc1)[C@@H](O)CNC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
COC[C@H](NC(=O)NC[C@H](O)c1ccc(C)cc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)NC[C@H](O)c1ccc(C)cc1)[*:1]
COC[C@H](NC(=O)NC[C@H](O)c1ccc(C)cc1)c1ccc(F)c(F)c1 Cc1ccc(cc1)[*:1] COC[C@H](NC(=O)NC[C@H](O)[*:1])c1ccc(F)c(F)c1
COc1ccc(CC(=O)NC[C@@](C)(O)C2CC2)cc1OC C1CC1[*:1] COc1ccc(cc1OC)CC(=O)NC[C@@](C)(O)[*:1]
COc1ccc([C@@H](NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)[*:1]
COc1ccc([C@@H](NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C2CC2)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)[C@@H](NC(=O)N1CCC[C@@H](C1)[*:1])C1CC1
COc1ccc([C@@H](NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H](C1CC1)[*:1])N1CCC[C@@H](CN2CCOCC2)C1
COc1ccc([C@@H](NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C2CC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N1CCC[C@H](C1)C[*:1])C1CC1
C[C@@H](CNc1cnn(C)c(=O)c1Cl)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNc1cnn(C)c(=O)c1Cl)N(C)[*:1]
CC(C)n1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cn1 CC(C)[*:1] O=C(c1cnn(c1)[*:1])N1CCC[C@H](C1)c1nc2ccccc2[nH]1
CC(C)n1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cn1 CC(C)n1cc(cn1)[*:1] O=C(N1CCC[C@H](C1)c1nc2ccccc2[nH]1)[*:1]
CC[C@H](C)[C@@H]1NC(=O)c2ccccc2N(CCOC)C1=O COCC[*:1] CC[C@H](C)[C@@H]1NC(=O)c2ccccc2N(C1=O)[*:1]
CC[C@H](C)[C@@H]1NC(=O)c2ccccc2N(CCOC)C1=O CC[C@H](C)[*:1] COCCN1C(=O)[C@@H](NC(=O)c2ccccc21)[*:1]
CC[C@H](C)[C@@H]1NC(=O)c2ccccc2N(CCOC)C1=O COC[*:1] CC[C@H](C)[C@@H]1NC(=O)c2ccccc2N(C[*:1])C1=O
CC(C)N(C)C(=O)COc1ccc(F)cc1 CC(C)[*:1] CN(C(=O)COc1ccc(F)cc1)[*:1]
O=C([O-])CC[NH+]1CCc2ccccc2C1 O=C([O-])[*:1] c1ccc2C[NH+](CCc2c1)CC[*:1]
O=C([O-])CC[NH+]1CCc2ccccc2C1 O=C([O-])C[*:1] c1ccc2C[NH+](CCc2c1)C[*:1]
C[C@@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2-c2ccno2)c1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)Nc1cccc(c1)NS(=O)(=O)c1ccccc1-c1ccno1)[*:1]
C[C@@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2-c2ccno2)c1)n1cccn1 c1cc(on1)[*:1] C[C@@H](C(=O)Nc1cccc(c1)NS(=O)(=O)c1ccccc1[*:1])n1cccn1
C[C@H]1CCN(C(=O)C2CCOCC2)c2ccccc2S1 C1CC(CCO1)[*:1] C[C@H]1CCN(C(=O)[*:1])c2ccccc2S1
CCOC(=O)C1CCN(C(=O)[C@@H]2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)CC1 CCOC(=O)[*:1] O=C(Nc1nc2c(CCC[C@H]2C(=O)N2CCC(CC2)[*:1])s1)c1ccc2OCOc2c1
CCOC(=O)C1CCN(C(=O)[C@@H]2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)CC1 c1cc2OCOc2cc1[*:1] CCOC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCc2sc(nc21)NC(=O)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C[NH2+]Cc1cnn(c1)-c1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cnn(c1)[*:1]
CCOCCCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 CCOCC[*:1] O=C(C[*:1])N1CC[C@@H](C1)Oc1cccc(Cl)c1
CCOCCCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CCOCCCC(=O)N1CC[C@@H](C1)O[*:1]
CCOCCCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 CCO[*:1] O=C(CCC[*:1])N1CC[C@@H](C1)Oc1cccc(Cl)c1
CCOCCCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 CCOCCC[*:1] O=C(N1CC[C@@H](C1)Oc1cccc(Cl)c1)[*:1]
CCOCCCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 CCOC[*:1] O=C(CC[*:1])N1CC[C@@H](C1)Oc1cccc(Cl)c1
C[C@@H]1SCCC[C@@H]1Nc1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] C[C@@H]1SCCC[C@@H]1Nc1cc(ccc1F)[*:1]
COc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3cccc(F)c3)cc2c1 Fc1cccc(c1)[*:1] COc1ccc2[nH]c(cc2c1)C(=O)N1CCCC[C@@H]1[*:1]
O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)C1CC=CC1 Clc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])C1CC=CC1
Oc1ccc(N2CCN(c3ncnc4cc(F)c(F)cc34)CC2)cc1 Oc1ccc(cc1)[*:1] Fc1cc2ncnc(c2cc1F)N1CCN(CC1)[*:1]
CC[C@H](NC(=O)Nc1ccn(C)n1)c1ccc(C)cc1 Cn1ccc(n1)[*:1] CC[C@H](NC(=O)N[*:1])c1ccc(C)cc1
CC(=O)Oc1c(C)cc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1C Brc1ccc(cc1)[*:1] CC(=O)Oc1c(C)cc(/C=c2\sc3nc(nn3c2=O)[*:1])cc1C
CC(=O)Oc1c(C)cc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1C CC(=O)O[*:1] Cc1cc(/C=c2\sc3nc(nn3c2=O)-c2ccc(Br)cc2)cc(C)c1[*:1]
CC(C)CC1(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)CCCC1 CC(C)C[*:1] CC1(C)[C@@H]([NH2+]CC2(CCCC2)[*:1])[C@H]2CCO[C@@H]21
CC(C)CC1(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)CCCC1 CC(C)[*:1] CC1(C)[C@@H]([NH2+]CC2(CCCC2)C[*:1])[C@H]2CCO[C@@H]21
CCOc1ccc(F)c(C(=O)N[C@H]2CCC[C@H](SCC)C2)c1F CCO[*:1] CCS[C@H]1CCC[C@@H](C1)NC(=O)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)N[C@H]2CCC[C@H](SCC)C2)c1F CCS[*:1] CCOc1ccc(F)c(C(=O)N[C@H]2CCC[C@H](C2)[*:1])c1F
Cc1cnn(-c2ccc(C(=O)OCc3nc(-c4ccccc4)no3)cc2)c1 Cc1cnn(c1)[*:1] O=C(OCc1nc(no1)-c1ccccc1)c1ccc(cc1)[*:1]
Cc1cnn(-c2ccc(C(=O)OCc3nc(-c4ccccc4)no3)cc2)c1 c1ccc(cc1)[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)OCc1nc(no1)[*:1]
Cn1ncnc1CCNC(=O)Nc1ccc(Br)cc1F Cn1ncnc1[*:1] O=C(NCC[*:1])Nc1ccc(Br)cc1F
CC[C@@H](C(=O)NCc1cnc(SC)n1C)n1cccn1 c1cnn(c1)[*:1] CC[C@@H](C(=O)NCc1cnc(SC)n1C)[*:1]
O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] c1ccc(cc1)[*:1] O=C(Nc1ccccc1C[*:1])[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]
O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@H]1[*:1]
O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] c1ccc(cc1)C[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]
CCCC(=O)Nc1ccc(CNC(=O)Nc2cc(OC)ccc2Cl)cc1 CCC[*:1] COc1ccc(Cl)c(c1)NC(=O)NCc1ccc(cc1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(CNC(=O)Nc2cc(OC)ccc2Cl)cc1 CCCC(=O)N[*:1] COc1ccc(Cl)c(c1)NC(=O)NCc1ccc(cc1)[*:1]
Cc1csc([C@@H](C)N[C@H]2CCCc3cccnc32)n1 Cc1csc(n1)[*:1] C[C@@H](N[C@H]1CCCc2cccnc21)[*:1]
O=C(NNC(=S)NCCc1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NNC(=S)NCCc1ccccc1)N[*:1]
O=C(NNC(=S)NCCc1ccccc1)Nc1ccccc1 c1ccc(cc1)C[*:1] O=C(NNC(=S)NC[*:1])Nc1ccccc1
O=C(NNC(=S)NCCc1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NNC(=S)NCC[*:1])Nc1ccccc1
CC(C)=CC(=O)Nc1ccc2ccccc2n1 CC(C)=C[*:1] O=C(Nc1ccc2ccccc2n1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 Cc1n[nH]c(C)c1[*:1] C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@H](C)C[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](C)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 Cc1n[nH]c(C)c1C[*:1] C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@H](C)[*:1]
Cn1cccc1C(=O)NNC(=O)Cc1ccc(C(F)(F)F)cc1 Cn1cccc1[*:1] O=C(Cc1ccc(cc1)C(F)(F)F)NNC(=O)[*:1]
Cn1cccc1C(=O)NNC(=O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cn1cccc1C(=O)NNC(=O)Cc1ccc(cc1)[*:1]
C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc2c(c1)OCCCO2 c1cnnc(c1)[*:1] C[C@H]([NH2+][C@@H]1CCCN(C1)[*:1])c1ccc2OCCCOc2c1
CC1CCN(C(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] CC1CCN(CC1)C(=O)CN(C1CC1)S(=O)(=O)[*:1]
CC1CCN(C(=O)CN(C2CC2)S(=O)(=O)c2cccnc2)CC1 C1CC1[*:1] CC1CCN(CC1)C(=O)CN(S(=O)(=O)c1cccnc1)[*:1]
CC[C@@H](NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)Nc1ccc(C)c(c1)S(C)(=O)=O)[*:1]
CC[C@@H](NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1)c1nc(C)cs1 CS(=O)(=O)[*:1] CC[C@@H](NC(=O)Nc1ccc(C)c(c1)[*:1])c1nc(C)cs1
COc1ccc(NC(=O)Nc2cc(N3CCC(C)CC3)ncn2)cc1OC CC1CCN(CC1)[*:1] COc1ccc(cc1OC)NC(=O)Nc1cc(ncn1)[*:1]
CO[C@H]1[C@H](NC(=O)C2CCN(C(C)=O)CC2)c2ccccc2C12CC[NH2+]CC2 CC(=O)N1CCC(CC1)[*:1] CO[C@H]1[C@H](NC(=O)[*:1])c2ccccc2C12CC[NH2+]CC2
CNC(=O)[C@@H](C)Sc1ccccc1Br CNC(=O)[*:1] C[C@@H](Sc1ccccc1Br)[*:1]
COC(=O)C1=C(N)OC(C)=C(C(N)=O)[C@@H]1c1ccccc1 COC(=O)[*:1] CC1OC(N)=C([C@H](C=1C(N)=O)c1ccccc1)[*:1]
COC(=O)C1=C(N)OC(C)=C(C(N)=O)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C1=C(N)OC(C)=C(C(N)=O)[C@H]1[*:1]
COC(=O)C1=C(N)OC(C)=C(C(N)=O)[C@@H]1c1ccccc1 NC(=O)[*:1] COC(=O)C1=C(N)OC(C)=C([C@@H]1c1ccccc1)[*:1]
CC(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccnc1-n1cncn1 c1ncn(n1)[*:1] CC(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccnc1[*:1]
CC(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccnc1-n1cncn1 CC(C)[*:1] O=C(NC[C@@H]1CCO[C@@H]1[*:1])Nc1cccnc1-n1cncn1
CC[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C O=[N+]([O-])[*:1] CC[C@@H](C)N(C)S(=O)(=O)c1cc(c(cc1C)NC)[*:1]
CC[C@@H](C)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NC)cc1C CC[C@@H](C)[*:1] CNc1cc(C)c(cc1[N+](=O)[O-])S(=O)(=O)N(C)[*:1]
CC1CC(NC(=O)c2ccc3nc(Cl)ccc3c2)C1 CC1CC(C1)[*:1] O=C(N[*:1])c1ccc2nc(Cl)ccc2c1
CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)Sc1ccccc1C(=O)N[C@@H](C)[*:1]
CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccccc1Cl CC(C)S[*:1] C[C@H](NC(=O)c1ccccc1[*:1])c1ccccc1Cl
CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccccc1Cl CC(C)[*:1] C[C@H](NC(=O)c1ccccc1S[*:1])c1ccccc1Cl
Cc1ccccc1NC(=O)C[S@@](=O)Cc1ccccc1F Fc1ccccc1[*:1] Cc1ccccc1NC(=O)C[S@@](=O)C[*:1]
Cc1ccccc1NC(=O)C[S@@](=O)Cc1ccccc1F Cc1ccccc1[*:1] O=C(C[S@@](=O)Cc1ccccc1F)N[*:1]
Cn1cccc1-c1cc(C(=O)N2CCN(c3ccccc3F)CC2)[nH]n1 Cn1cccc1[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCN(CC1)c1ccccc1F
Cn1cccc1-c1cc(C(=O)N2CCN(c3ccccc3F)CC2)[nH]n1 Fc1ccccc1[*:1] Cn1cccc1-c1cc([nH]n1)C(=O)N1CCN(CC1)[*:1]
C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1cc(Cl)ccc1N c1csc(c1)C[*:1] C[C@@H](N(C)S(=O)(=O)c1cc(Cl)ccc1N)[*:1]
C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1cc(Cl)ccc1N c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)S(=O)(=O)c1cc(Cl)ccc1N
CC[NH+]1CCN(C(=O)c2sc3ncccc3c2-n2c(C)ccc2C)CC1 Cc1ccc(C)n1[*:1] CC[NH+]1CCN(CC1)C(=O)c1sc2ncccc2c1[*:1]
CC(C)CNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C CC(C)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)C(=O)NC[*:1]
CC(C)CNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C CC(C)C[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)C(=O)N[*:1]
CCCOc1ccc(NC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)c(C)c1 FC(F)(F)[*:1] CCCOc1ccc(NC(=O)N2CCN(CC2)[C@H](C)[*:1])c(C)c1
CCCOc1ccc(NC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)c(C)c1 CCC[*:1] Cc1cc(ccc1NC(=O)N1CCN(CC1)[C@H](C)C(F)(F)F)O[*:1]
CCCOc1ccc(NC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)c(C)c1 CCCO[*:1] Cc1cc(ccc1NC(=O)N1CCN(CC1)[C@H](C)C(F)(F)F)[*:1]
Cc1cc(C)n(Cc2ccc(C(=O)NCc3ncn[nH]3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCc1ncn[nH]1)c1ccc(cc1)C[*:1]
Cc1cc(C)n(Cc2ccc(C(=O)NCc3ncn[nH]3)cc2)n1 c1n[nH]c(n1)[*:1] Cc1cc(C)n(Cc2ccc(cc2)C(=O)NC[*:1])n1
Cc1cc(C)n(Cc2ccc(C(=O)NCc3ncn[nH]3)cc2)n1 c1n[nH]c(C[*:1])n1 Cc1cc(C)n(Cc2ccc(cc2)C(=O)N[*:1])n1
O=C(Nc1ccccc1Cl)[C@@H]1CC=CC[C@H]1C(=O)N1CCCCC1 Clc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CC=CC[C@H]1C(=O)N1CCCCC1
O=C(Nc1ccccc1Cl)[C@@H]1CC=CC[C@H]1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(Nc1ccccc1Cl)[C@@H]1CC=CC[C@@H]1[*:1]
O=C(/C=C/c1ccco1)Nc1cccc(C2[NH+]=c3ccccc3=[NH+]2)c1 c1coc(c1)[*:1] O=C(C=C[*:1])Nc1cccc(c1)C1[NH+]=c2ccccc2=[NH+]1
O=C(/C=C/c1ccco1)Nc1cccc(C2[NH+]=c3ccccc3=[NH+]2)c1 C(=C[*:1])c1ccco1 O=C(Nc1cccc(c1)C1[NH+]=c2ccccc2=[NH+]1)[*:1]
CC[N+](C)(CC)CCOC(=O)c1nn(C)c(=O)c2ccccc12 CC[N+](C)(CC)C[*:1] Cn1nc(C(=O)OC[*:1])c2ccccc2c1=O
CC[N+](C)(CC)CCOC(=O)c1nn(C)c(=O)c2ccccc12 CC[N+](C)(CC)[*:1] Cn1nc(C(=O)OCC[*:1])c2ccccc2c1=O
CCOC(=O)[C@@H](c1cccc(Cl)c1)c1n[nH]c(CC)n1 CCOC(=O)[*:1] CCc1nc(n[nH]1)[C@H](c1cccc(Cl)c1)[*:1]
Cc1cc(NC(=O)Nc2ccc3c(c2)OCO3)ccc1N1CCCC1=O O=C1CCCN1[*:1] Cc1cc(ccc1[*:1])NC(=O)Nc1ccc2OCOc2c1
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(Cn2cccn2)o1 Clc1ccc(cc1Cl)[*:1] O=C(NN=C[*:1])c1ccc(Cn2cccn2)o1
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(Cn2cccn2)o1 c1cnn(c1)[*:1] O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(C[*:1])o1
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(Cn2cccn2)o1 c1cnn(c1)C[*:1] O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(o1)[*:1]
CC(=O)Nc1ccc(F)c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 CC(=O)N[*:1] C[C@@H]1CCC[C@](CNC(=O)c2cc(ccc2F)[*:1])(C1)[NH+](C)C
N#CCc1ccc(C(=O)CCl)o1 N#CC[*:1] O=C(CCl)c1ccc(o1)[*:1]
N#CCc1ccc(C(=O)CCl)o1 O=C(CCl)[*:1] N#CCc1ccc(o1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@]1(O)[C@]1(C[NH3+])CCc2ccccc21 CS(=O)(=O)[*:1] [NH3+]C[C@]1(CCc2ccccc21)[C@]1(O)CCC[C@@H]1[*:1]
Cc1ccsc1CNC(=O)CSc1nnc(N2CCOCC2)n1C Cc1ccsc1C[*:1] Cn1c(nnc1N1CCOCC1)SCC(=O)N[*:1]
Cc1ccsc1CNC(=O)CSc1nnc(N2CCOCC2)n1C C1CN(CCO1)[*:1] Cc1ccsc1CNC(=O)CSc1nnc(n1C)[*:1]
Cc1ccsc1CNC(=O)CSc1nnc(N2CCOCC2)n1C Cc1ccsc1[*:1] Cn1c(nnc1N1CCOCC1)SCC(=O)NC[*:1]
CC(C)Oc1ccc([C@@H](C)NC(=O)N(Cc2cccs2)C2CC2)cc1 c1csc(c1)[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)NC(=O)N(C[*:1])C1CC1
CC(C)Oc1ccc([C@@H](C)NC(=O)N(Cc2cccs2)C2CC2)cc1 CC(C)O[*:1] C[C@@H](NC(=O)N(Cc1cccs1)C1CC1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@@H](C)NC(=O)N(Cc2cccs2)C2CC2)cc1 C1CC1[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)NC(=O)N(Cc1cccs1)[*:1]
CC(C)Oc1ccc([C@@H](C)NC(=O)N(Cc2cccs2)C2CC2)cc1 CC(C)[*:1] C[C@@H](NC(=O)N(Cc1cccs1)C1CC1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@@H](C)NC(=O)N(Cc2cccs2)C2CC2)cc1 c1csc(c1)C[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)NC(=O)N(C1CC1)[*:1]
C[C@H]([NH2+][C@@H]1COc2ccccc21)c1occc1Br Brc1ccoc1[*:1] C[C@H]([NH2+][C@@H]1COc2ccccc21)[*:1]
Cc1cccc(CC(=O)N2CCC3(CC2)OCCCO3)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])N1CCC2(CC1)OCCCO2
Cc1ccnc(NNC(=O)Cn2c(=O)n(C)c3ccccc32)c1 Cc1ccnc(c1)[*:1] Cn1c(=O)n(CC(=O)NN[*:1])c2ccccc21
CCC(CC)C(=O)N1CCCCC[C@@H]1CC(C)=O CC(=O)[*:1] CCC(CC)C(=O)N1CCCCC[C@@H]1C[*:1]
CCC(CC)C(=O)N1CCCCC[C@@H]1CC(C)=O CC(=O)C[*:1] CCC(CC)C(=O)N1CCCCC[C@H]1[*:1]
CCC(CC)C(=O)N1CCCCC[C@@H]1CC(C)=O CCC(CC)[*:1] CC(=O)C[C@H]1CCCCCN1C(=O)[*:1]
Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2)c1C O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[*:1])c1C
Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2)c1C O=[N+]([O-])[*:1] Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(cc2)[*:1])c1C
Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2)c1C Cc1cccc(c1C)[*:1] O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(cc1)[N+](=O)[O-])N[*:1]
Fc1ccc(COc2cccc(CNc3nnn[n-]3)c2)cc1 Fc1ccc(cc1)[*:1] c1cc(cc(c1)OC[*:1])CNc1nnn[n-]1
Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccccc1Cl
Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c(C)c1 Clc1ccccc1[*:1] Cc1ccc(NC(=O)C2CCN(CC2)C(=O)[*:1])c(C)c1
CN1C(=O)C[C@@](CC(=O)N2CCN(c3ccccc3O)CC2)(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] CN1C(=O)C[C@@](CC(=O)N2CCN(CC2)c2ccccc2O)(C1=O)[*:1]
CN1C(=O)C[C@@](CC(=O)N2CCN(c3ccccc3O)CC2)(c2ccccc2Cl)C1=O Oc1ccccc1[*:1] CN1C(=O)C[C@](CC(=O)N2CCN(CC2)[*:1])(C1=O)c1ccccc1Cl
CSC[C@@H](C)N(C)C(=O)NCc1oc2ccc(F)cc2c1C CSC[*:1] Cc1c(CNC(=O)N(C)[C@H](C)[*:1])oc2ccc(F)cc12
CCOC(=O)c1c(C(=O)c2ccsc2)cnn1C CCOC(=O)[*:1] Cn1ncc(C(=O)c2ccsc2)c1[*:1]
CCOC(=O)c1c(C(=O)c2ccsc2)cnn1C c1cc(cs1)[*:1] CCOC(=O)c1c(cnn1C)C(=O)[*:1]
Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccccn3)[C@H]4C2=O)cc1C Cc1ccc(cc1C)C[*:1] CN(Cc1ccccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2
Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccccn3)[C@H]4C2=O)cc1C c1ccc(C[*:1])nc1 Cc1ccc(cc1C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)[*:1])[C@H]3C1=O
Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccccn3)[C@H]4C2=O)cc1C c1ccc(nc1)[*:1] Cc1ccc(cc1C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)C[*:1])[C@H]3C1=O
Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccccn3)[C@H]4C2=O)cc1C Cc1ccc(cc1C)[*:1] CN(Cc1ccccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@H]13)O2
CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 CCOC(=O)C=C[*:1] C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 CCOC(=O)[*:1] C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C=C[*:1])cc1
COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nc(C)cs1 CC(C)(C)[*:1] COc1ccc(cc1NC(=O)CSc1nc(C)cs1)[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nc(C)cs1 Cc1csc(n1)S[*:1] COc1ccc(cc1NC(=O)C[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nc(C)cs1 Cc1csc(n1)[*:1] COc1ccc(cc1NC(=O)CS[*:1])C(C)(C)C
CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1ccccc1C#N
CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1C1CC1 N#Cc1ccccc1[*:1] CCn1c(nnc1C1CC1)S[C@@H](C)C(=O)N[*:1]
COC(C[C@@](C)(O)C[C@@H]1CCCN(S(C)(=O)=O)C1)OC COC(OC)[*:1] C[C@](O)(C[C@@H]1CCCN(C1)S(C)(=O)=O)C[*:1]
COC(C[C@@](C)(O)C[C@@H]1CCCN(S(C)(=O)=O)C1)OC COC(C[*:1])OC C[C@@](O)(C[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
CN(C)S(=O)(=O)c1ccc(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)nc1 CN(C)S(=O)(=O)[*:1] O=C(CSc1ccc(cn1)[*:1])N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1
CN(C)S(=O)(=O)c1ccc(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)nc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(nc1)SCC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(OCC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)CO[*:1]
O=C1CCc2cc(S(=O)(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc2N1 O=C(NC1CC1)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)Nc1cccc(c1)[*:1]
O=C1CCc2cc(S(=O)(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc2N1 C1CC1[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)Nc1cccc(c1)C(=O)N[*:1]
NS(=O)(=O)c1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)o1 NS(=O)(=O)[*:1] O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(o1)[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)NN=C[*:1]
CC(=O)c1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 CC(=O)[*:1] O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)C=C[*:1]
CC(C)CNC(=O)[C@@H](NC(=O)c1cc2ncsc2[nH]1)C(C)C CC(C)[*:1] CC(C)[C@H](NC(=O)c1cc2ncsc2[nH]1)C(=O)NC[*:1]
CC(C)CNC(=O)[C@@H](NC(=O)c1cc2ncsc2[nH]1)C(C)C CC(C)C[*:1] CC(C)[C@H](NC(=O)c1cc2ncsc2[nH]1)C(=O)N[*:1]
CC(C)CNC(=O)[C@@H](NC(=O)c1cc2ncsc2[nH]1)C(C)C CC(C)[*:1] CC(C)CNC(=O)[C@@H](NC(=O)c1cc2ncsc2[nH]1)[*:1]
CC(C)CNC(=O)[C@@H](NC(=O)c1cc2ncsc2[nH]1)C(C)C CC(C)CNC(=O)[*:1] CC(C)[C@H](NC(=O)c1cc2ncsc2[nH]1)[*:1]
CC(C)(CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1)NS(C)(=O)=O FC(F)(F)[*:1] CC(C)(CNC(=O)N[C@H]1CCN(C1)C[*:1])NS(C)(=O)=O
CC(C)(CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1)NS(C)(=O)=O FC(F)(F)C[*:1] CC(C)(CNC(=O)N[C@H]1CCN(C1)[*:1])NS(C)(=O)=O
CC(C)(CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1)NS(C)(=O)=O CS(=O)(=O)N[*:1] CC(C)(CNC(=O)N[C@H]1CCN(C1)CC(F)(F)F)[*:1]
N#Cc1ccnc(SC[C@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1ccnc(c1)SC[C@H](O)[*:1]
Cc1n[nH]cc1CN1CCN(C(=O)CCC(C)C)CC1 CC(C)[*:1] Cc1n[nH]cc1CN1CCN(CC1)C(=O)CC[*:1]
Cc1n[nH]cc1CN1CCN(C(=O)CCC(C)C)CC1 CC(C)C[*:1] Cc1n[nH]cc1CN1CCN(CC1)C(=O)C[*:1]
Cc1n[nH]cc1CN1CCN(C(=O)CCC(C)C)CC1 Cc1n[nH]cc1[*:1] CC(C)CCC(=O)N1CCN(CC1)C[*:1]
Cc1n[nH]cc1CN1CCN(C(=O)CCC(C)C)CC1 CC(C)CC[*:1] Cc1n[nH]cc1CN1CCN(CC1)C(=O)[*:1]
Cc1ccc2ccc3cc(C(=O)N4CCC(Cc5ccccc5)CC4)[nH]c3c2n1 c1ccc(cc1)[*:1] Cc1ccc2ccc3cc([nH]c3c2n1)C(=O)N1CCC(CC1)C[*:1]
Cc1ccc2ccc3cc(C(=O)N4CCC(Cc5ccccc5)CC4)[nH]c3c2n1 c1ccc(cc1)C[*:1] Cc1ccc2ccc3cc([nH]c3c2n1)C(=O)N1CCC(CC1)[*:1]
O=C1CC[C@H](Oc2ccc(-c3ccccc3)cc2Cl)C1 c1ccc(cc1)[*:1] O=C1CC[C@@H](C1)Oc1ccc(cc1Cl)[*:1]
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Oc2ccccc2)c1)c1cccs1 C1CO[C@@H](C1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(c1)Oc1ccccc1)c1cccs1
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Oc2ccccc2)c1)c1cccs1 O=C(c1cccs1)[*:1] O=C1C([O-])=C([C@H](c2cccc(c2)Oc2ccccc2)N1C[C@@H]1CCCO1)[*:1]
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Oc2ccccc2)c1)c1cccs1 c1csc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(c2)Oc2ccccc2)N1C[C@@H]1CCCO1
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Oc2ccccc2)c1)c1cccs1 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(c1)O[*:1])c1cccs1
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Oc2ccccc2)c1)c1cccs1 c1ccc(cc1)O[*:1] O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(c1)[*:1])c1cccs1
Cc1ccc(-n2nc(C)c(NC(=O)COc3cc(Cl)ccc3Cl)c2C)cc1 Clc1ccc(Cl)c(c1)O[*:1] Cc1ccc(cc1)-n1nc(C)c(NC(=O)C[*:1])c1C
Cc1ccc(-n2nc(C)c(NC(=O)COc3cc(Cl)ccc3Cl)c2C)cc1 Clc1ccc(Cl)c(c1)[*:1] Cc1ccc(cc1)-n1nc(C)c(NC(=O)CO[*:1])c1C
Cc1ccc(-n2nc(C)c(NC(=O)COc3cc(Cl)ccc3Cl)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)COc1cc(Cl)ccc1Cl)[*:1]
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1F FC(F)(F)[*:1] N#Cc1cc(ccc1F)NC(=O)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
CC[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1[NH+](C)C FC(F)(F)[*:1] CC[C@H]1CN(C[C@H]1[NH+](C)C)C(=O)Cn1ccc(n1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)c2ccccc2S(C)(=O)=O)c1C CCC[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)c1ccccc1S(C)(=O)=O
CCCC(=O)Nc1cccc(NC(=O)c2ccccc2S(C)(=O)=O)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccccc1S(C)(=O)=O
CCCC(=O)Nc1cccc(NC(=O)c2ccccc2S(C)(=O)=O)c1C CS(=O)(=O)[*:1] CCCC(=O)Nc1cccc(NC(=O)c2ccccc2[*:1])c1C
CC[C@@H](C)C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1C CC[C@@H](C)C(=O)N[*:1] Cc1c(cccc1[*:1])C(=O)NC1CCCCC1
CC[C@@H](C)C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1C CC[C@@H](C)[*:1] Cc1c(cccc1C(=O)NC1CCCCC1)NC(=O)[*:1]
CC[C@@H](C)C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1C C1CCC(CC1)[*:1] CC[C@@H](C)C(=O)Nc1cccc(C(=O)N[*:1])c1C
O=C(c1cccc(F)c1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 Fc1cccc(c1)[*:1] O=C(N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)[*:1]
O=C(c1cccc(F)c1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(c1cccc(F)c1)N1CCC(O)(CC1)c1cccc(c1)[*:1]
Cc1c(C(=O)N2CC[C@@H](OCCC(C)C)C2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1C(C)C)C(=O)N1CC[C@H](C1)OCC[*:1]
Cc1c(C(=O)N2CC[C@@H](OCCC(C)C)C2)cnn1C(C)C CC(C)CCO[*:1] Cc1c(cnn1C(C)C)C(=O)N1CC[C@@H](C1)[*:1]
Cc1c(C(=O)N2CC[C@@H](OCCC(C)C)C2)cnn1C(C)C CC(C)CC[*:1] Cc1c(cnn1C(C)C)C(=O)N1CC[C@H](C1)O[*:1]
Cc1c(C(=O)N2CC[C@@H](OCCC(C)C)C2)cnn1C(C)C CC(C)C[*:1] Cc1c(cnn1C(C)C)C(=O)N1CC[C@H](C1)OC[*:1]
Cc1c(C(=O)N2CC[C@@H](OCCC(C)C)C2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CC[C@H](C1)OCCC(C)C
Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC2CC[NH+](C)CC2)c1 Cc1ccc(C)c(c1)[*:1] C[NH+]1CCC(CC1)NC(=O)CCNS(=O)(=O)[*:1]
NC(=O)[C@H]1COCCN1C(=O)c1ccc(SC(F)(F)F)cc1 FC(F)(F)[*:1] NC(=O)[C@H]1COCCN1C(=O)c1ccc(cc1)S[*:1]
NC(=O)[C@H]1COCCN1C(=O)c1ccc(SC(F)(F)F)cc1 NC(=O)[*:1] O=C(c1ccc(cc1)SC(F)(F)F)N1CCOC[C@@H]1[*:1]
NC(=O)[C@H]1COCCN1C(=O)c1ccc(SC(F)(F)F)cc1 FC(F)(F)S[*:1] NC(=O)[C@H]1COCCN1C(=O)c1ccc(cc1)[*:1]
O=Cc1[nH]nc2cc(C(=O)[O-])ccc12 O=C([O-])[*:1] O=Cc1[nH]nc2cc(ccc12)[*:1]
Cc1cc(Cl)ccc1NC(=O)[C@H](C)Nc1ccn(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc(Cl)ccc1NC(=O)[C@H](C)Nc1ccn(n1)[*:1]
Cc1cc(Cl)ccc1NC(=O)[C@H](C)Nc1ccn(Cc2ccccn2)n1 Cc1cc(Cl)ccc1[*:1] C[C@H](Nc1ccn(Cc2ccccn2)n1)C(=O)N[*:1]
Cc1cc(Cl)ccc1NC(=O)[C@H](C)Nc1ccn(Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(Cl)ccc1NC(=O)[C@H](C)Nc1ccn(C[*:1])n1
Cc1c(C)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2[nH]c1=O O=[N+]([O-])[*:1] Cc1c(C)c2ccc(cc2[nH]c1=O)NC(=O)Cc1ccc(cc1)[*:1]
Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)CN2CSCC2=O)n1 Cc1cc(C)n(n1)[*:1] O=C1CSCN1CC(=O)N1CCCC[C@H]1C[*:1]
Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)CN2CSCC2=O)n1 O=C1CSCN1[*:1] Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)C[*:1])n1
Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)CN2CSCC2=O)n1 O=C1CSCN1C[*:1] Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[*:1])n1
CC1(C)CCN(c2ccc(C(N)=[NH2+])c(Cl)c2)C1 NC(=[NH2+])[*:1] CC1(C)CCN(C1)c1ccc(c(Cl)c1)[*:1]
COCc1ccccc1CNC(=O)CN1C[C@@H](C)OCC1(C)C COC[*:1] C[C@@H]1CN(CC(=O)NCc2ccccc2[*:1])C(C)(C)CO1
C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1 C=CC[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1cccc(c1)O[*:1]
C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1 C=CCO[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] C=CCOc1cccc(c1)NC(=O)[C@@H](C)O[*:1]
Cc1cc(NC(=O)NC[C@H](C)CC2(C)OCCO2)ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])NC(=O)NC[C@H](C)CC1(C)OCCO1
Cc1cc(NC(=O)NC[C@H](C)CC2(C)OCCO2)ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])NC(=O)NC[C@H](C)CC1(C)OCCO1
CN1C(=O)C[C@@H](NCc2cnc3cnccn23)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NCc2cnc3cnccn23)[C@@H]1[*:1]
CC(C)Cn1cc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cn1 CC(C)C[*:1] O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1cnn(c1)[*:1]
CC(C)Cn1cc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cn1 CC(C)[*:1] O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1cnn(c1)C[*:1]
COc1cccc(NCc2ccsc2)c1 c1cc(cs1)[*:1] COc1cccc(c1)NC[*:1]
O=C(Nc1cccc(-n2cccn2)c1)N1CC[C@@H](Oc2cccnc2)C1 c1cncc(c1)O[*:1] O=C(Nc1cccc(c1)-n1cccn1)N1CC[C@@H](C1)[*:1]
O=C(Nc1cccc(-n2cccn2)c1)N1CC[C@@H](Oc2cccnc2)C1 c1cncc(c1)[*:1] O=C(Nc1cccc(c1)-n1cccn1)N1CC[C@H](C1)O[*:1]
O=C(Nc1cccc(-n2cccn2)c1)N1CC[C@@H](Oc2cccnc2)C1 c1cnn(c1)[*:1] O=C(Nc1cccc(c1)[*:1])N1CC[C@H](C1)Oc1cccnc1
CC(=O)c1cccc(O[C@H](C)C(=O)N(Cc2ccco2)c2ccc(F)cc2F)c1 CC(=O)[*:1] C[C@@H](Oc1cccc(c1)[*:1])C(=O)N(Cc1ccco1)c1ccc(F)cc1F
CC(=O)c1cccc(O[C@H](C)C(=O)N(Cc2ccco2)c2ccc(F)cc2F)c1 c1coc(c1)C[*:1] CC(=O)c1cccc(c1)O[C@H](C)C(=O)N(c1ccc(F)cc1F)[*:1]
CC(=O)c1cccc(O[C@H](C)C(=O)N(Cc2ccco2)c2ccc(F)cc2F)c1 c1coc(c1)[*:1] CC(=O)c1cccc(c1)O[C@H](C)C(=O)N(C[*:1])c1ccc(F)cc1F
CC(=O)c1cccc(O[C@H](C)C(=O)N(Cc2ccco2)c2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] CC(=O)c1cccc(c1)O[C@H](C)C(=O)N(Cc1ccco1)[*:1]
CC(=O)c1cccc(O[C@H](C)C(=O)N(Cc2ccco2)c2ccc(F)cc2F)c1 CC(=O)c1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N(Cc1ccco1)c1ccc(F)cc1F
CC(C)c1c(C[NH3+])cnn1-c1ccc(Cl)cc1Cl CC(C)[*:1] [NH3+]Cc1cnn(-c2ccc(Cl)cc2Cl)c1[*:1]
CCOC(=O)N[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)C CCOC(=O)N[*:1] CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)[*:1]
CCOC(=O)N[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)C CC(C)[*:1] CCOC(=O)N[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)N(CC[NH+](C)C)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] CCS(=O)(=O)c1ccccc1C(=O)N(CC[NH+](C)C)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)N(CC[NH+](C)C)c1nc2ccccc2s1 CCS(=O)(=O)[*:1] C[NH+](C)CCN(C(=O)c1ccccc1[*:1])c1nc2ccccc2s1
Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)CCC2=O)o1 Cc1ccc(o1)[*:1] C[C@@H]([NH2+]CCN1C(=O)CCC1=O)[*:1]
Cc1n[nH]c(-c2ccccc2[N-]S(=O)(=O)c2cnn(C(C)C)c2)n1 CC(C)n1cc(cn1)[*:1] Cc1n[nH]c(n1)-c1ccccc1[N-]S(=O)(=O)[*:1]
Cc1n[nH]c(-c2ccccc2[N-]S(=O)(=O)c2cnn(C(C)C)c2)n1 Cc1n[nH]c(n1)[*:1] CC(C)n1cc(cn1)S(=O)(=O)[N-]c1ccccc1[*:1]
Cc1n[nH]c(-c2ccccc2[N-]S(=O)(=O)c2cnn(C(C)C)c2)n1 CC(C)[*:1] Cc1n[nH]c(n1)-c1ccccc1[N-]S(=O)(=O)c1cnn(c1)[*:1]
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C1=O Cc1ccccc1[*:1] O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C(=O)N1[*:1]
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C1=O c1ccc(cc1)[*:1] Cc1ccccc1N1C(=O)[C@H]2ON([C@H](c3cccnc3)[C@H]2C1=O)[*:1]
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C1=O c1cncc(c1)[*:1] Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H]([C@H]2C1=O)[*:1]
COc1cc([C@@H]2NC(=O)N(C)[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc(OC)c1OC c1csc(c1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1NC(=O)N(C)[C@](O)([C@H]1C(=O)[*:1])C(F)(F)F
COc1cc([C@@H]2NC(=O)N(C)[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc(OC)c1OC O=C(c1cccs1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1NC(=O)N(C)[C@](O)([C@@H]1[*:1])C(F)(F)F
COc1cc([C@@H]2NC(=O)N(C)[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc(OC)c1OC FC(F)(F)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1NC(=O)N(C)[C@@](O)([C@H]1C(=O)c1cccs1)[*:1]
CCCn1cncc1[C@@H](O)COC COC[*:1] CCCn1cncc1[C@@H](O)[*:1]
CCCn1cncc1[C@@H](O)COC CCC[*:1] COC[C@H](O)c1cncn1[*:1]
CC(C)n1c([C@@H](C)NC(=O)Cc2ccccc2F)nc2cccnc21 Fc1ccccc1[*:1] CC(C)n1c(nc2cccnc21)[C@@H](C)NC(=O)C[*:1]
CC(C)n1c([C@@H](C)NC(=O)Cc2ccccc2F)nc2cccnc21 Fc1ccccc1C[*:1] CC(C)n1c(nc2cccnc21)[C@@H](C)NC(=O)[*:1]
CC(C)n1c([C@@H](C)NC(=O)Cc2ccccc2F)nc2cccnc21 CC(C)[*:1] C[C@@H](NC(=O)Cc1ccccc1F)c1nc2cccnc2n1[*:1]
Cc1ccc(CNc2nccs2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])CNc1nccs1
Cc1ccc(CNc2nccs2)cc1[N+](=O)[O-] c1csc(n1)[*:1] Cc1ccc(cc1[N+](=O)[O-])CN[*:1]
COc1cc(OC)c(CNC(=O)/C=C/c2cc(Br)ccc2F)c(OC)c1 Fc1ccc(Br)cc1[*:1] COc1cc(OC)c(CNC(=O)C=C[*:1])c(c1)OC
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 CCOCCC[*:1] O=c1c2c3nc4ccccc4nc3n(-c3cccc(Br)c3)c2ncn1[*:1]
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 Brc1cccc(c1)[*:1] CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2[*:1]
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 CCO[*:1] O=c1c2c3nc4ccccc4nc3n(-c3cccc(Br)c3)c2ncn1CCC[*:1]
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 CCOC[*:1] O=c1c2c3nc4ccccc4nc3n(-c3cccc(Br)c3)c2ncn1CC[*:1]
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 CCOCC[*:1] O=c1c2c3nc4ccccc4nc3n(-c3cccc(Br)c3)c2ncn1C[*:1]
Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)C(C)C)c2C)C1=O CC(C)C(=O)O[*:1] Cc1ccccc1/C=C1\Oc2c(ccc(c2C)[*:1])C1=O
Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)C(C)C)c2C)C1=O Cc1ccccc1[*:1] Cc1c(ccc2C(=O)C(=C[*:1])Oc21)OC(=O)C(C)C
Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)C(C)C)c2C)C1=O CC(C)[*:1] Cc1ccccc1/C=C1\Oc2c(ccc(OC(=O)[*:1])c2C)C1=O
Cc1c(NC(=O)[C@@H](C)O/N=C/c2cccs2)cccc1[N+](=O)[O-] c1csc(c1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)[C@@H](C)ON=C[*:1]
Cc1c(NC(=O)[C@@H](C)O/N=C/c2cccs2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)[C@@H](C)O/N=C/c1cccs1
CCc1nn(C)cc1CNC(=O)NCC1(C(C)C)CC1 CC(C)C1(CC1)[*:1] CCc1nn(C)cc1CNC(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)NCC1(C(C)C)CC1 CC(C)[*:1] CCc1nn(C)cc1CNC(=O)NCC1(CC1)[*:1]
COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc([N+](=O)[O-])cc3)n2)cn1 COc1ccc(cn1)[*:1] O=[N+]([O-])c1ccc(cc1)CN1CCC[C@H]1c1nc(no1)[*:1]
COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc([N+](=O)[O-])cc3)n2)cn1 O=[N+]([O-])[*:1] COc1ccc(cn1)-c1noc(n1)[C@@H]1CCCN1Cc1ccc(cc1)[*:1]
COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc([N+](=O)[O-])cc3)n2)cn1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cn1)-c1noc(n1)[C@@H]1CCCN1C[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 CC[C@H](C)NC(=O)[*:1] COc1cc(cc(Cl)c1OC)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 CC[C@H](C)[*:1] COc1cc(cc(Cl)c1OC)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
O=C(Nc1ccc(Cl)cn1)c1sccc1OC(F)F FC(F)O[*:1] O=C(Nc1ccc(Cl)cn1)c1sccc1[*:1]
O=C(Nc1ccc(Cl)cn1)c1sccc1OC(F)F FC(F)[*:1] O=C(Nc1ccc(Cl)cn1)c1sccc1O[*:1]
CC(C)(C)C(=O)NCCC(=O)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)NCCC(=O)N(Cc1ccccc1)[*:1]
CC(C)(C)C(=O)NCCC(=O)N(Cc1ccccc1)c1ccccc1 CC(C)(C)[*:1] O=C(CCNC(=O)[*:1])N(Cc1ccccc1)c1ccccc1
CC(C)(C)C(=O)NCCC(=O)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)NCCC(=O)N(C[*:1])c1ccccc1
CC(C)(C)C(=O)NCCC(=O)N(Cc1ccccc1)c1ccccc1 CC(C)(C)C(=O)NC[*:1] O=C(C[*:1])N(Cc1ccccc1)c1ccccc1
CC(C)(C)C(=O)NCCC(=O)N(Cc1ccccc1)c1ccccc1 CC(C)(C)C(=O)N[*:1] O=C(CC[*:1])N(Cc1ccccc1)c1ccccc1
CC(C)(C)C(=O)NCCC(=O)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] CC(C)(C)C(=O)NCCC(=O)N(c1ccccc1)[*:1]
CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)n1 COc1ccc(cc1)CC[*:1] CCc1nccn1-c1cccc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)n1 COc1ccc(cc1)[*:1] CCc1nccn1-c1cccc(n1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)n1 COc1ccc(cc1)C[*:1] CCc1nccn1-c1cccc(n1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)n1 CCc1nccn1[*:1] COc1ccc(cc1)CCC(=O)N1CCC[C@H](C1)c1cccc(n1)[*:1]
CCC(=O)Nc1ccc(NC(=O)N[C@H]2CCC[C@@H](CC)C2)cc1 CCC(=O)N[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)Nc1ccc(cc1)[*:1]
C[C@@H](C(=O)NCc1cccs1)N(C)CC#N CN(CC#N)[*:1] C[C@@H](C(=O)NCc1cccs1)[*:1]
C[C@@H](C(=O)NCc1cccs1)N(C)CC#N c1csc(c1)[*:1] C[C@@H](C(=O)NC[*:1])N(C)CC#N
C[C@@H](C(=O)NCc1cccs1)N(C)CC#N N#CC[*:1] C[C@@H](C(=O)NCc1cccs1)N(C)[*:1]
Cc1ccsc1CN(C)C(=O)c1cccnc1Cl Cc1ccsc1[*:1] CN(C[*:1])C(=O)c1cccnc1Cl
C#CCCN1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)CC1 C#CCC[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)N1CCN(CC1)[*:1]
C#CCCN1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)CC1 C#CC[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)N1CCN(CC1)C[*:1]
CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)[*:1]
CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 CCO[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1[*:1])c1ccc(Cl)c(Cl)c1
O=C(CCc1cccnc1)N1CCN(CC(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] O=C(CCc1cccnc1)N1CCN(CC1)C[*:1]
O=C(CCc1cccnc1)N1CCN(CC(=O)N2CCCCC2)CC1 c1cncc(c1)[*:1] O=C(CC[*:1])N1CCN(CC1)CC(=O)N1CCCCC1
O=C(CCc1cccnc1)N1CCN(CC(=O)N2CCCCC2)CC1 c1cncc(c1)C[*:1] O=C(CN1CCN(CC1)C(=O)C[*:1])N1CCCCC1
O=C(CCc1cccnc1)N1CCN(CC(=O)N2CCCCC2)CC1 c1cncc(c1)CC[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])N1CCCCC1
Cc1cc(CN(C)C(=O)[C@H](C[NH3+])CC(C)C)no1 Cc1cc(no1)[*:1] CC(C)C[C@@H](C[NH3+])C(=O)N(C)C[*:1]
Cc1cc(CN(C)C(=O)[C@H](C[NH3+])CC(C)C)no1 CC(C)[*:1] Cc1cc(CN(C)C(=O)[C@H](C[NH3+])C[*:1])no1
Cc1cc(CN(C)C(=O)[C@H](C[NH3+])CC(C)C)no1 CC(C)C[*:1] Cc1cc(CN(C)C(=O)[C@H](C[NH3+])[*:1])no1
CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1cc(C(C)C)on1 CC(C)c1cc(no1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[*:1]
CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1cc(C(C)C)on1 CC(C)[*:1] CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1cc(on1)[*:1]
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2C)c1 Cc1ccc(C)c(c1)[*:1] COc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)N[*:1]
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2C)c1 COc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
COC(=O)c1ccc(C)c(OCC(=O)Nc2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] COC(=O)c1ccc(C)c(c1)OCC(=O)N[*:1]
COC(=O)c1ccc(C)c(OCC(=O)Nc2ccc(F)c(F)c2)c1 COC(=O)[*:1] Cc1ccc(cc1OCC(=O)Nc1ccc(F)c(F)c1)[*:1]
Cc1ccccc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1[*:1]
Cc1ccccc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(Br)cc1 Cc1ccccc1NC(=O)[*:1] C[NH+]1CCC2(CC1)N=C(SC[*:1])C(=N2)c1ccc(Br)cc1
Cc1ccccc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(Br)cc1 Cc1ccccc1[*:1] C[NH+]1CCC2(CC1)N=C(SCC(=O)N[*:1])C(=N2)c1ccc(Br)cc1
NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc2c(cc1Cl)OCCCO2 NC(=O)[*:1] O=C(COc1ccc(Cl)cc1[*:1])Nc1cc2OCCCOc2cc1Cl
O=C(CCCCCc1cccs1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 c1csc(c1)C[*:1] O=C(CCCC[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
O=C(CCCCCc1cccs1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 c1csc(c1)CC[*:1] O=C(CCC[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
O=C(CCCCCc1cccs1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 c1csc(c1)[*:1] O=C(CCCCC[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
O=C(CCCCCc1cccs1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 c1csc(c1)CCC[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
COc1ccccc1[C@H](C(=O)[O-])[NH+](C)C O=C([O-])[*:1] COc1ccccc1[C@H]([NH+](C)C)[*:1]
CC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCCC3)n2)cc1C O=C(N1CCCC1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)c1cccc(n1)[*:1]
CC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCCC3)n2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1cccc(n1)C(=O)N1CCCC1
Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)C(=O)c3ccccc3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)C(=O)c3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)NC(=O)[C@@H]1CCCCN1C(=O)C(=O)[*:1]
CC(C)[C@H](NC(=O)CN1CC[NH+](C)CC1)c1ccc2c(c1)OCCCO2 CC(C)[*:1] C[NH+]1CCN(CC1)CC(=O)N[C@H](c1ccc2OCCCOc2c1)[*:1]
Cc1cccc(NC2CC[NH+](C(C)C)CC2)[nH+]1 CC(C)[*:1] Cc1cccc(NC2CC[NH+](CC2)[*:1])[nH+]1
Cn1cnnc1Sc1ccc(C(=O)Nc2cccc3cccnc23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cn1cnnc1Sc1ccc(cc1[*:1])C(=O)Nc1cccc2cccnc12
Cn1cnnc1Sc1ccc(C(=O)Nc2cccc3cccnc23)cc1[N+](=O)[O-] Cn1cnnc1[*:1] O=C(Nc1cccc2cccnc12)c1ccc(S[*:1])c(c1)[N+](=O)[O-]
Cn1cnnc1Sc1ccc(C(=O)Nc2cccc3cccnc23)cc1[N+](=O)[O-] Cn1cnnc1S[*:1] O=C(Nc1cccc2cccnc12)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCSC[C@H](C)N(C)C(=O)NCc1cccc(N(C)C)c1 CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)NCc1cccc(c1)N(C)C
CCSC[C@H](C)N(C)C(=O)NCc1cccc(N(C)C)c1 CCSC[*:1] C[C@H](N(C)C(=O)NCc1cccc(c1)N(C)C)[*:1]
CCSC[C@H](C)N(C)C(=O)NCc1cccc(N(C)C)c1 CN(C)[*:1] CCSC[C@H](C)N(C)C(=O)NCc1cccc(c1)[*:1]
CCOC(=O)c1cccc(N2CCN([C@H](C)C(N)=O)CC2)n1 CCOC(=O)[*:1] C[C@H](C(N)=O)N1CCN(CC1)c1cccc(n1)[*:1]
CCOC(=O)c1cccc(N2CCN([C@H](C)C(N)=O)CC2)n1 NC(=O)[*:1] CCOC(=O)c1cccc(n1)N1CCN(CC1)[C@H](C)[*:1]
CCOC(=O)c1cccc(N2CCN([C@H](C)C(N)=O)CC2)n1 C[C@H](C(N)=O)[*:1] CCOC(=O)c1cccc(n1)N1CCN(CC1)[*:1]
Cc1cc(C)cc(NC(=S)NC(=O)c2cccc3ccccc23)c1 Cc1cc(C)cc(c1)[*:1] O=C(NC(=S)N[*:1])c1cccc2ccccc12
COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1cccc(OC)c1 COC(=O)[*:1] COc1cccc(c1)C(=O)N[C@@H](CC1C[NH+]=c2ccccc2=1)[*:1]
COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1cccc(OC)c1 COc1cccc(c1)[*:1] COC(=O)[C@H](CC1C[NH+]=c2ccccc2=1)NC(=O)[*:1]
C[C@H](NC(=O)[C@@H]1CCCO1)c1cccc(N)c1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)[*:1])c1cccc(N)c1
C/C=C/C=C/C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 CC=C[*:1] C[C@@H](OC(=O)C=C[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
C/C=C/C=C/C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C=C/C=C/C(=O)O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
C/C=C/C=C/C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 C/C=C/C=C[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
Cc1cc(C)c(C(=O)N(C)C[C@@H]2C=NN=C2c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)N(C)C[C@@H]2C=NN=C2[*:1])c(=O)[nH]1
CSCCCNC(=O)N[C@H]1CCC[C@H]1C CSCCC[*:1] C[C@@H]1CCC[C@@H]1NC(=O)N[*:1]
CSCCCNC(=O)N[C@H]1CCC[C@H]1C CSCC[*:1] C[C@@H]1CCC[C@@H]1NC(=O)NC[*:1]
CSCCCNC(=O)N[C@H]1CCC[C@H]1C CSC[*:1] C[C@@H]1CCC[C@@H]1NC(=O)NCC[*:1]
Cc1cccc(N2C[C@H](C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)CC2=O)c1C Cc1cccc(c1C)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
Cc1cccc(N2C[C@H](C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)CC2=O)c1C c1ccc2c(c[nH]c2c1)[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)N1CC=C(CC1)[*:1]
CC(=O)c1cccc(NC(=O)c2coc(NC(=O)c3cc(C)oc3C)n2)c1 CC(=O)c1cccc(c1)[*:1] Cc1cc(C(=O)Nc2nc(co2)C(=O)N[*:1])c(C)o1
CC(=O)c1cccc(NC(=O)c2coc(NC(=O)c3cc(C)oc3C)n2)c1 CC(=O)[*:1] Cc1cc(C(=O)Nc2nc(co2)C(=O)Nc2cccc(c2)[*:1])c(C)o1
CC(=O)c1cccc(NC(=O)c2coc(NC(=O)c3cc(C)oc3C)n2)c1 Cc1cc(c(C)o1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1coc(n1)NC(=O)[*:1]
C[C@H]1Cc2cc([C@@H](Cl)C3(C)CCCC3)ccc2O1 CC1(CCCC1)[*:1] C[C@H]1Cc2cc(ccc2O1)[C@@H](Cl)[*:1]
c1ccc(CCCc2nnc(SC[C@H]3CCOCO3)o2)cc1 c1ccc(cc1)C[*:1] C1C[C@H](CSc2nnc(CC[*:1])o2)OCO1
c1ccc(CCCc2nnc(SC[C@H]3CCOCO3)o2)cc1 c1ccc(cc1)[*:1] C(Cc1nnc(o1)SC[C@H]1CCOCO1)C[*:1]
CC(=O)Nc1ccc(C)cc1OCc1nc(-c2cccs2)oc1C c1csc(c1)[*:1] CC(=O)Nc1ccc(C)cc1OCc1nc(oc1C)[*:1]
CC(=O)Nc1ccc(C)cc1OCc1nc(-c2cccs2)oc1C CC(=O)N[*:1] Cc1ccc(c(c1)OCc1nc(oc1C)-c1cccs1)[*:1]
Cc1cc(=O)[nH]c2c1c(O)nn2C1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(=O)[nH]c2c1c(O)nn2[*:1]
CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CCn1c(C[NH+]2CCC(C)CC2)nc2cc(ccc21)NC(=O)[*:1]
CCc1noc(CCCC(=O)NCc2nccc3ccccc23)n1 CCc1noc(n1)[*:1] O=C(CCC[*:1])NCc1nccc2ccccc12
CCc1noc(CCCC(=O)NCc2nccc3ccccc23)n1 CCc1noc(C[*:1])n1 O=C(CC[*:1])NCc1nccc2ccccc12
CC(C)[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)N1CCC[C@@H](C(N)=O)C1 CC(C)[*:1] CC(C)(C)c1nnc(o1)S[C@@H](C(=O)N1CCC[C@H](C1)C(N)=O)[*:1]
CC(C)[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)N1CCC[C@@H](C(N)=O)C1 CC(C)(C)[*:1] CC(C)[C@@H](Sc1nnc(o1)[*:1])C(=O)N1CCC[C@H](C1)C(N)=O
CC(C)[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)N1CCC[C@@H](C(N)=O)C1 NC(=O)[*:1] CC(C)[C@@H](Sc1nnc(o1)C(C)(C)C)C(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)[C@H]1C[C@H](O)[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C CC(=O)[*:1] C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1[C@@H](O)C[C@@H]2[*:1]
Cc1cc(Cl)ccc1OCc1nnc(S[C@H](C)C(=O)N(C)C)n1C1CCCCC1 Cc1cc(Cl)ccc1[*:1] C[C@@H](Sc1nnc(CO[*:1])n1C1CCCCC1)C(=O)N(C)C
Cc1cc(Cl)ccc1OCc1nnc(S[C@H](C)C(=O)N(C)C)n1C1CCCCC1 CN(C)C(=O)[*:1] Cc1cc(Cl)ccc1OCc1nnc(S[C@H](C)[*:1])n1C1CCCCC1
Cc1cc(Cl)ccc1OCc1nnc(S[C@H](C)C(=O)N(C)C)n1C1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(Cl)ccc1OCc1nnc(S[C@H](C)C(=O)N(C)C)n1[*:1]
Cc1cc(Cl)ccc1OCc1nnc(S[C@H](C)C(=O)N(C)C)n1C1CCCCC1 Cc1cc(Cl)ccc1O[*:1] C[C@@H](Sc1nnc(C[*:1])n1C1CCCCC1)C(=O)N(C)C
CO[C@@H](C(=O)N/N=C(/C)c1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] CO[C@@H](C(=O)NN=C(C)[*:1])c1ccccc1
CO[C@@H](C(=O)N/N=C(/C)c1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)N/N=C(/C)c1ccc(Cl)cc1)[*:1]
O=C(N[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)[*:1])c1cccs1
O=C(N[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(NNC(=O)[C@@H](c1ccccc1)[*:1])[C@@H]1COc2ccccc2O1
O=C(N[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(NNC(=O)[C@H](NC(=O)[*:1])c1ccccc1)[C@@H]1COc2ccccc2O1
Cc1cccc(C2=CCN(C(=O)CCS(=O)(=O)N(C)C)CC2)c1 CN(C)S(=O)(=O)C[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)C[*:1]
Cc1cccc(C2=CCN(C(=O)CCS(=O)(=O)N(C)C)CC2)c1 CN(C)S(=O)(=O)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)CC[*:1]
Cc1cccc(C2=CCN(C(=O)CCS(=O)(=O)N(C)C)CC2)c1 Cc1cccc(c1)[*:1] CN(C)S(=O)(=O)CCC(=O)N1CC=C(CC1)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCc4cn[nH]c4C3)cc2F)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])[C@H]1CCc2cn[nH]c2C1
Cc1ccc(NC(=O)C[NH+](C)CC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)C[NH+](C)CC(=O)N[*:1])c1C
Cc1ccc(NC(=O)C[NH+](C)CC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)NC(=O)C[NH+](C)CC(=O)c1cc(C)n(c1C)[*:1]
O=C(CCNC(=O)c1cccs1)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] O=C(CCNC(=O)c1cccs1)Nc1cccc(c1)C[*:1]
O=C(CCNC(=O)c1cccs1)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] O=C(CCNC(=O)c1cccs1)Nc1cccc(c1)[*:1]
O=C(CCNC(=O)c1cccs1)Nc1cccc(Cn2cccn2)c1 O=C(N[*:1])c1cccs1 O=C(CC[*:1])Nc1cccc(c1)Cn1cccn1
O=C(CCNC(=O)c1cccs1)Nc1cccc(Cn2cccn2)c1 c1csc(c1)[*:1] O=C(CCNC(=O)[*:1])Nc1cccc(c1)Cn1cccn1
CC[N+](CC)=C1Nc2ccccc2Oc2ccc(NC(=O)c3ccccc3F)cc21 O=C(N[*:1])c1ccccc1F CC[N+](CC)=C1Nc2ccccc2Oc2ccc(cc21)[*:1]
CC[N+](CC)=C1Nc2ccccc2Oc2ccc(NC(=O)c3ccccc3F)cc21 Fc1ccccc1[*:1] CC[N+](CC)=C1Nc2ccccc2Oc2ccc(cc21)NC(=O)[*:1]
Cc1nnc(CN(C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)C(C)(C)C)o1 CC(C)(C)[*:1] Cc1nnc(CN(C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)[*:1])o1
Cc1nnc(CN(C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)C(C)(C)C)o1 Clc1ccc(cc1)C[*:1] Cc1nnc(CN(C(=O)C[C@@H](C)[*:1])C(C)(C)C)o1
Cc1nnc(CN(C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)C(C)(C)C)o1 Cc1nnc(o1)[*:1] C[C@H](CC(=O)N(C[*:1])C(C)(C)C)Cc1ccc(Cl)cc1
Cc1nnc(CN(C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)C(C)(C)C)o1 Clc1ccc(cc1)[*:1] Cc1nnc(CN(C(=O)C[C@@H](C)C[*:1])C(C)(C)C)o1
Cc1nnc(CN(C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)C(C)(C)C)o1 Cc1nnc(C[*:1])o1 C[C@H](CC(=O)N(C(C)(C)C)[*:1])Cc1ccc(Cl)cc1
CC[C@H](NC(=O)Cc1ccc(C)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)Cc1ccc(C)cc1)[*:1]
CC[C@H](NC(=O)Cc1ccc(C)cc1)c1ccc(Cl)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)C[*:1])c1ccc(Cl)cc1
Cc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1C(N)=O Brc1c[nH]c(c1)[*:1] Cc1ccc(cc1C(N)=O)NC(=O)[*:1]
Cc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cc(Br)c[nH]1
COc1cc2cc(N)c(C3CCN(C(=O)C[C@H](C)n4cncn4)CC3)nc2cc1OC c1ncn(n1)[*:1] COc1cc2cc(N)c(nc2cc1OC)C1CCN(CC1)C(=O)C[C@H](C)[*:1]
O=C(NC1=CN=NC1)N1CCC(Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(NC1=CN=NC1)N1CCC(CC1)C[*:1]
O=C(NNc1cccnc1Cl)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NNc1cccnc1Cl)c1ccccc1[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)CCc1nc(-c2cccs2)no1 c1csc(c1)[*:1] CN(Cc1ccc2OCOc2c1)C(=O)CCc1nc(no1)[*:1]
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H]1c1cccs1 COc1ccccc1[*:1] O=C(c1cn(nc1[*:1])-c1ccccc1)N1CCC[C@H]1c1cccs1
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H]1c1cccs1 c1ccc(cc1)[*:1] COc1ccccc1-c1nn(cc1C(=O)N1CCC[C@H]1c1cccs1)[*:1]
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] COc1ccccc1-c1nn(cc1C(=O)N1CCC[C@@H]1[*:1])-c1ccccc1
C=CCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 C=CCNC(=O)[*:1] CN(C)C(=O)c1ccc2c(c1)N(C[*:1])C(=O)[C@@H]1CCCCN21
C=CCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 CN(C)C(=O)[*:1] C=CCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)[*:1]
C=CCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 C=CC[*:1] CN(C)C(=O)c1ccc2c(c1)N(CC(=O)N[*:1])C(=O)[C@@H]1CCCCN21
C=CCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 C=CCNC(=O)C[*:1] CN(C)C(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCCCN21)[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)c2cc[n+]([O-])cc2)o1 [O-][n+]1ccc(cc1)[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)c2cc[n+]([O-])cc2)o1 Cc1ccc(o1)[*:1] O=C(c1cc[n+]([O-])cc1)N1CCSC[C@@H]1[*:1]
COc1cccc(C(=O)N2CCN(C(=O)c3c(C)cccc3C)CC2)c1 Cc1cccc(C)c1[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)c3c(C)cccc3C)CC2)c1 COc1cccc(c1)[*:1] Cc1cccc(C)c1C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1csc(=O)n1CCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C Cc1csc(=O)n1C[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[*:1]
Cc1csc(=O)n1CCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C Cc1csc(=O)n1[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CC[*:1]
CCc1ccc(CC)c(NC(=O)c2ccc(-n3nc(C)nc3C)cc2)c1 Cc1nc(C)n(n1)[*:1] CCc1ccc(CC)c(c1)NC(=O)c1ccc(cc1)[*:1]
CCN(CC(C)(C)O)C(=O)CN1CCCCCC1=O CC(C)(O)C[*:1] CCN(C(=O)CN1CCCCCC1=O)[*:1]
CCN(CC(C)(C)O)C(=O)CN1CCCCCC1=O CC(C)(O)[*:1] CCN(C[*:1])C(=O)CN1CCCCCC1=O
CCC[NH2+][C@H](C)c1cccn1C[C@H]1CN(C(C)C)CCO1 CC(C)[*:1] CCC[NH2+][C@H](C)c1cccn1C[C@H]1CN(CCO1)[*:1]
CCC[NH2+][C@H](C)c1cccn1C[C@H]1CN(C(C)C)CCO1 CCC[*:1] CC(C)N1CCO[C@H](C1)Cn1cccc1[C@@H](C)[NH2+][*:1]
Cc1ccccc1CCNCc1cccc(/C(N)=N/O)c1 N/C(=N\O)[*:1] Cc1ccccc1CCNCc1cccc(c1)[*:1]
Cc1ccccc1CCNCc1cccc(/C(N)=N/O)c1 Cc1ccccc1[*:1] N/C(=N\O)c1cccc(c1)CNCC[*:1]
Cc1ccnc(N(C=O)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccnc(c1)N(C=O)[*:1]
CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)Cc2noc(C(C)(C)C)n2)c1 CC(C)(C)[*:1] CN(C)S(=O)(=O)c1cccc(c1)CS(=O)(=O)Cc1noc(n1)[*:1]
CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)Cc2noc(C(C)(C)C)n2)c1 CN(C)S(=O)(=O)[*:1] CC(C)(C)c1nc(CS(=O)(=O)Cc2cccc(c2)[*:1])no1
O=C(Oc1ccc(-n2cnnn2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Oc1ccc(cc1)-n1cnnn1)[*:1]
O=C(Oc1ccc(-n2cnnn2)cc1)c1ccc(F)cc1 c1nnnn1[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccc(F)cc1
CC[C@H](NC(=O)N1CCN(c2cnccn2)CC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC[C@H](NC(=O)N1CCN(CC1)c1cnccn1)[*:1]
CC[C@H](NC(=O)N1CCN(c2cnccn2)CC1)c1cccc([N+](=O)[O-])c1 c1cnc(cn1)[*:1] CC[C@H](NC(=O)N1CCN(CC1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)N1CCN(c2cnccn2)CC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)N1CCN(CC1)c1cnccn1)c1cccc(c1)[*:1]
CCCc1nnc2sc(-c3cc(Cl)cc(Cl)c3N)nn12 CCC[*:1] Nc1c(Cl)cc(Cl)cc1-c1nn2c(nnc2s1)[*:1]
Cc1cc(C)n2cc(C[NH2+]C(c3ccccc3)c3ccccc3)nc2n1 c1ccc(cc1)[*:1] Cc1cc(C)n2cc(C[NH2+]C(c3ccccc3)[*:1])nc2n1
COCCn1c(C(=O)NCCN2CCN(C(C)=O)CC2)cc2ccccc21 COCC[*:1] CC(=O)N1CCN(CCNC(=O)c2cc3ccccc3n2[*:1])CC1
COCCn1c(C(=O)NCCN2CCN(C(C)=O)CC2)cc2ccccc21 CC(=O)N1CCN(CC1)[*:1] COCCn1c(cc2ccccc21)C(=O)NCC[*:1]
COCCn1c(C(=O)NCCN2CCN(C(C)=O)CC2)cc2ccccc21 COC[*:1] CC(=O)N1CCN(CCNC(=O)c2cc3ccccc3n2C[*:1])CC1
CCOC(=O)c1c(C)nsc1N[C@@H](C)c1cccs1 CCOC(=O)[*:1] Cc1nsc(N[C@@H](C)c2cccs2)c1[*:1]
CCOC(=O)c1c(C)nsc1N[C@@H](C)c1cccs1 c1csc(c1)[*:1] CCOC(=O)c1c(C)nsc1N[C@@H](C)[*:1]
COc1cc(OC)cc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(Cl)cc3)cs2)c1 Clc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)Nc1cc(C)nn1-c1nc(cs1)[*:1])OC
COc1cc(OC)cc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(Cl)cc3)cs2)c1 COc1cc(cc(c1)[*:1])OC Cc1cc(NC(=O)[*:1])n(n1)-c1nc(cs1)-c1ccc(Cl)cc1
Cc1cc(COC(=O)c2ccc3c(c2)CCC(=O)N3)no1 Cc1cc(no1)[*:1] O=C1CCc2cc(ccc2N1)C(=O)OC[*:1]
Cc1cc(COC(=O)c2ccc3c(c2)CCC(=O)N3)no1 Cc1cc(C[*:1])no1 O=C1CCc2cc(ccc2N1)C(=O)O[*:1]
CC(C)(C)OC(=O)Nc1cc(Br)cs1 CC(C)(C)[*:1] O=C(Nc1cc(Br)cs1)O[*:1]
COC1CCN(C(=O)N[C@H](C)C(C)C)CC1 CC(C)[C@@H](C)[*:1] COC1CCN(CC1)C(=O)N[*:1]
COC1CCN(C(=O)N[C@H](C)C(C)C)CC1 CC(C)[*:1] COC1CCN(CC1)C(=O)N[C@H](C)[*:1]
Cc1ccc(NC(=O)C(=O)N(C)CCc2ccc(F)cc2)cc1C(F)(F)F Fc1ccc(cc1)CC[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)C(=O)N(C)[*:1]
Cc1ccc(NC(=O)C(=O)N(C)CCc2ccc(F)cc2)cc1C(F)(F)F Fc1ccc(cc1)[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)C(=O)N(C)CC[*:1]
Cc1ccc(NC(=O)C(=O)N(C)CCc2ccc(F)cc2)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)N(C)CCc1ccc(F)cc1
Cc1ccc(NC(=O)C(=O)N(C)CCc2ccc(F)cc2)cc1C(F)(F)F Fc1ccc(cc1)C[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)C(=O)N(C)C[*:1]
COc1ccccc1N1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)CC1 COc1ccccc1[*:1] O=C(c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)c1ccco1)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)CC1 FC(F)(F)[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1cc2N[C@H](C[C@H](n2n1)[*:1])c1ccco1
COc1ccccc1N1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)CC1 c1coc(c1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
O=C(NCCN1CCc2ccccc2C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCN1CCc2ccccc2C1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(NCCN1CCc2ccccc2C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 c1ccc2CN(CCc2c1)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccccc1
COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1OC c1cnc2nc(cn2c1)[*:1] COc1ccc(cc1NC(=O)c1ccccc1OC)[*:1]
COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1OC COc1ccccc1[*:1] COc1ccc(cc1NC(=O)[*:1])-c1cn2cccnc2n1
COc1ccc(CN2CCN(CC#N)CC2)cc1 N#CC[*:1] COc1ccc(cc1)CN1CCN(CC1)[*:1]
C[C@@H]([NH2+]CCC1CCC1)c1c(F)cccc1N1CCOCC1 C1CC(C1)C[*:1] C[C@@H]([NH2+]C[*:1])c1c(F)cccc1N1CCOCC1
C[C@@H]([NH2+]CCC1CCC1)c1c(F)cccc1N1CCOCC1 C1CC(C1)[*:1] C[C@@H]([NH2+]CC[*:1])c1c(F)cccc1N1CCOCC1
C[C@@H]([NH2+]CCC1CCC1)c1c(F)cccc1N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]([NH2+]CCC1CCC1)c1c(F)cccc1[*:1]
C[C@@H]([NH2+]CCC1CCC1)c1c(F)cccc1N1CCOCC1 C1CC(C1)CC[*:1] C[C@@H]([NH2+][*:1])c1c(F)cccc1N1CCOCC1
N#C[C@@H]1COCCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] N#C[C@@H]1COCCN1CC(=O)N(Cc1ccccc1)C[*:1]
N#C[C@@H]1COCCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)CC[*:1] N#C[C@@H]1COCCN1CC(=O)N(Cc1ccccc1)[*:1]
N#C[C@@H]1COCCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] N#C[C@@H]1COCCN1CC(=O)N(CCc1ccccc1)[*:1]
N#C[C@@H]1COCCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1COCCN1CC(=O)N(CCc1ccccc1)C[*:1]
N#C[C@@H]1COCCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1COCCN1CC(=O)N(CC[*:1])Cc1ccccc1
Cc1ccc(-c2cc(-c3nnc(SCc4csc(C)n4)n3N)c3ccccc3n2)cc1 Cc1nc(cs1)CS[*:1] Cc1ccc(cc1)-c1cc(-c2nnc(n2N)[*:1])c2ccccc2n1
Cc1ccc(-c2cc(-c3nnc(SCc4csc(C)n4)n3N)c3ccccc3n2)cc1 Cc1nc(cs1)[*:1] Cc1ccc(cc1)-c1cc(-c2nnc(SC[*:1])n2N)c2ccccc2n1
Cc1ccc(-c2cc(-c3nnc(SCc4csc(C)n4)n3N)c3ccccc3n2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(cs1)CSc1nnc(-c2cc(nc3ccccc23)[*:1])n1N
Cc1ccc(-c2cc(-c3nnc(SCc4csc(C)n4)n3N)c3ccccc3n2)cc1 Cc1nc(cs1)C[*:1] Cc1ccc(cc1)-c1cc(-c2nnc(S[*:1])n2N)c2ccccc2n1
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](c1ccccc1)C1CC1 Clc1ccc(cc1Cl)[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)C(=O)N[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](c1ccccc1)[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C1CC1)[*:1]
N#Cc1ccccc1NC(=O)C(=O)NC[C@]1(O)CCOc2ccccc21 N#Cc1ccccc1[*:1] O=C(NC[C@]1(O)CCOc2ccccc21)C(=O)N[*:1]
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(OC)c3)ccc21 COc1cccc(c1)[*:1] CCC(=O)N1CCc2cc(ccc21)S(=O)(=O)CCC(=O)N[*:1]
C[C@@H]1NN=C(SCC2=NC(=O)[C@@H]3SC(c4ccc(Cl)cc4)=CC3=N2)N1C1CCCCC1 Clc1ccc(cc1)[*:1] C[C@@H]1NN=C(SCC2=NC(=O)[C@@H]3SC(=CC3=N2)[*:1])N1C1CCCCC1
C[C@@H]1NN=C(SCC2=NC(=O)[C@@H]3SC(c4ccc(Cl)cc4)=CC3=N2)N1C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H]1NN=C(SCC2=NC(=O)[C@@H]3SC(=CC3=N2)c2ccc(Cl)cc2)N1[*:1]
CCS[C@H]1CC[C@@H](NC(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)C1 CCS[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N[C@@H]1CC[C@@H](C1)[*:1]
O=C(c1cccc(OC2CCCC2)c1)N1CCC[C@@H](c2ccn[nH]2)C1 c1cc([nH]n1)[*:1] O=C(c1cccc(c1)OC1CCCC1)N1CCC[C@@H](C1)[*:1]
O=C(c1cccc(OC2CCCC2)c1)N1CCC[C@@H](c2ccn[nH]2)C1 C1CCC(C1)O[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H](C1)c1ccn[nH]1
O=C(c1cccc(OC2CCCC2)c1)N1CCC[C@@H](c2ccn[nH]2)C1 C1CCC(C1)[*:1] O=C(c1cccc(c1)O[*:1])N1CCC[C@H](C1)c1ccn[nH]1
C[C@@H]([C@H](C)C[NH2+]C1CC1)N1CC[NH+](C(C)(C)C)CC1 CC(C)(C)[*:1] C[C@@H]([C@H](C)C[NH2+]C1CC1)N1CC[NH+](CC1)[*:1]
C[C@@H]([C@H](C)C[NH2+]C1CC1)N1CC[NH+](C(C)(C)C)CC1 C1CC1[*:1] C[C@@H]([C@H](C)C[NH2+][*:1])N1CC[NH+](CC1)C(C)(C)C
CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@H]1CCCO1 FC(F)(F)[*:1] CC(C)N(CC(=O)Nc1ccccc1[*:1])C(=O)C[C@H]1CCCO1
CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@H]1CCCO1 CC(C)[*:1] O=C(CN(C(=O)C[C@H]1CCCO1)[*:1])Nc1ccccc1C(F)(F)F
COc1ccccc1CN1C(=O)CN(C2CCCCCC2)C(=O)[C@H]1c1ccc(C)cc1 C1CCCC(CC1)[*:1] COc1ccccc1CN1C(=O)CN(C(=O)[C@H]1c1ccc(C)cc1)[*:1]
COc1ccccc1CN1C(=O)CN(C2CCCCCC2)C(=O)[C@H]1c1ccc(C)cc1 COc1ccccc1[*:1] Cc1ccc(cc1)[C@@H]1C(=O)N(CC(=O)N1C[*:1])C1CCCCCC1
COc1ccccc1CN1C(=O)CN(C2CCCCCC2)C(=O)[C@H]1c1ccc(C)cc1 COc1ccccc1C[*:1] Cc1ccc(cc1)[C@@H]1C(=O)N(CC(=O)N1[*:1])C1CCCCCC1
COc1ccccc1CN1C(=O)CN(C2CCCCCC2)C(=O)[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1CN1C(=O)CN(C(=O)[C@@H]1[*:1])C1CCCCCC1
Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccccc2Cn2cncn2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](CNC(=O)c1ccccc1Cn1cncn1)C[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccccc2Cn2cncn2)n1 c1ncn(C[*:1])n1 Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccccc2[*:1])n1
Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccccc2Cn2cncn2)n1 Cc1cc(C)n(C[*:1])n1 C[C@@H](CNC(=O)c1ccccc1Cn1cncn1)[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccccc2Cn2cncn2)n1 c1ncn(n1)[*:1] Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccccc2C[*:1])n1
Cn1c([O-])c([N+](=O)[O-])c2nncn2c1=O O=[N+]([O-])[*:1] Cn1c([O-])c(c2nncn2c1=O)[*:1]
Cc1cccc(-c2nc(C)c(CCNC(=O)Cc3ccc(F)cc3)s2)c1 Cc1cccc(c1)[*:1] Cc1nc(sc1CCNC(=O)Cc1ccc(F)cc1)[*:1]
Cc1cccc(-c2nc(C)c(CCNC(=O)Cc3ccc(F)cc3)s2)c1 Fc1ccc(cc1)C[*:1] Cc1cccc(c1)-c1nc(C)c(CCNC(=O)[*:1])s1
Cc1cccc(-c2nc(C)c(CCNC(=O)Cc3ccc(F)cc3)s2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)-c1nc(C)c(CCNC(=O)C[*:1])s1
CN(Cc1ccccc1)C(=O)Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O c1ccc(cc1)C[*:1] CN(C(=O)Cn1nc(ccc1=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
CN(Cc1ccccc1)C(=O)Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O Clc1cccc(c1)[*:1] CN(Cc1ccccc1)C(=O)Cn1nc(ccc1=O)N1CCN(CC1)[*:1]
CN(Cc1ccccc1)C(=O)Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O c1ccc(cc1)[*:1] CN(C[*:1])C(=O)Cn1nc(ccc1=O)N1CCN(CC1)c1cccc(Cl)c1
O=C([O-])CN1C(=O)N/C(=C/c2cc3c(cc2Cl)OCO3)C1=O O=C([O-])C[*:1] O=C1N/C(=C/c2cc3OCOc3cc2Cl)C(=O)N1[*:1]
O=C([O-])CN1C(=O)N/C(=C/c2cc3c(cc2Cl)OCO3)C1=O O=C([O-])[*:1] O=C1N/C(=C/c2cc3OCOc3cc2Cl)C(=O)N1C[*:1]
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2c(O)cccc21 c1ccc(cc1)[*:1] C=CCN(C[*:1])C(=O)N[C@@H]1CCc2c(O)cccc21
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2c(O)cccc21 c1ccc(cc1)C[*:1] C=CCN(C(=O)N[C@@H]1CCc2c(O)cccc21)[*:1]
C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2c(O)cccc21 C=CC[*:1] O=C(N[C@@H]1CCc2c(O)cccc21)N(Cc1ccccc1)[*:1]
Cn1nnnc1SCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 Cn1nnnc1[*:1] O=C(CS[*:1])N[C@@H](c1ccc(F)cc1)c1cccs1
Cn1nnnc1SCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 Cn1nnnc1SC[*:1] O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)[*:1]
Cn1nnnc1SCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 Cn1nnnc1S[*:1] O=C(C[*:1])N[C@@H](c1ccc(F)cc1)c1cccs1
Cn1nnnc1SCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] Cn1nnnc1SCC(=O)N[C@@H](c1cccs1)[*:1]
Cn1nnnc1SCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] Cn1nnnc1SCC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)NCc1ncc(-c2ccccc2)o1 C[C@@H](c1ccccc1)[*:1] CN(C(=O)NCc1ncc(o1)-c1ccccc1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)NCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](c1ccccc1)N(C)C(=O)NCc1ncc(o1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)NCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)NCc1ncc(o1)-c1ccccc1)[*:1]
CSCCCN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O CSCCC[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccccc1Br
CSCCCN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O CSCC[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1Br
CSCCCN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O CSC[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1ccccc1Br
C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(c1)O[*:1]
C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)CO[*:1] C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(OCc2cccnc2)c1 Fc1ccc(O[*:1])c(Br)c1 C[C@@H](C(=O)Nc1cccc(c1)OCc1cccnc1)[*:1]
C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(c1)OC[*:1]
C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(OCc2cccnc2)c1 Fc1ccc(c(Br)c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)OCc1cccnc1
COc1cccc([C@@H](Nc2nc(-c3ccsc3)nc3ccccc23)c2nccn2C)c1 c1cc(cs1)[*:1] COc1cccc(c1)[C@@H](Nc1nc(nc2ccccc12)[*:1])c1nccn1C
COc1cccc([C@@H](Nc2nc(-c3ccsc3)nc3ccccc23)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@@H](Nc1nc(nc2ccccc12)-c1ccsc1)[*:1]
COc1cccc([C@@H](Nc2nc(-c3ccsc3)nc3ccccc23)c2nccn2C)c1 COc1cccc(c1)[*:1] Cn1ccnc1[C@H](Nc1nc(nc2ccccc12)-c1ccsc1)[*:1]
O=C(COC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl Clc1cc(Cl)c(Cl)c(c1Cl)[*:1] O=C(COC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N[*:1]
Cc1nc(C)n(-c2ccc(C(=O)N[C@H]3C[C@H]3c3cccc(Cl)c3)cc2)n1 Clc1cccc(c1)[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H]1[*:1]
Cc1nc(C)n(-c2ccc(C(=O)N[C@H]3C[C@H]3c3cccc(Cl)c3)cc2)n1 Cc1nc(C)n(n1)[*:1] O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(cc1)[*:1]
COc1ccc([C@@H](C)Nc2ccc(-n3nc(C)cc3C)nn2)c(OC)c1 Cc1cc(C)n(n1)[*:1] COc1ccc(c(c1)OC)[C@@H](C)Nc1ccc(nn1)[*:1]
COc1ccccc1OC(=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] COc1ccccc1OC(=O)c1ccc(o1)[*:1]
O=C(/N=C1\NCCS1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 O=[N+]([O-])[*:1] O=C(/N=C1\NCCS1)C1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)o1 Cc1ccc(o1)[C@@H](C)[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1ccccc1)N[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)N[C@@H]1CC(=O)N(C1)c1ccccc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
O=C1[C@H]2CC3=c4ccccc4=[NH+][C@H]3CN2C(=O)CN1/N=C/c1ccccc1Cl Clc1ccccc1[*:1] O=C1[C@H]2CC3=c4ccccc4=[NH+][C@H]3CN2C(=O)CN1N=C[*:1]
Cc1nc(C)c(C(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)s1 FC(F)(F)[*:1] Cc1nc(C)c(s1)C(=O)N(C1CC1)[C@H](C)c1cccc(c1)[*:1]
Cc1nc(C)c(C(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)s1 Cc1nc(C)c(s1)[*:1] C[C@H](c1cccc(c1)C(F)(F)F)N(C(=O)[*:1])C1CC1
Cc1nc(C)c(C(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)s1 C1CC1[*:1] Cc1nc(C)c(s1)C(=O)N([C@H](C)c1cccc(c1)C(F)(F)F)[*:1]
CN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc3c(c2)OCCO3)c1 CN(C)S(=O)(=O)[*:1] O=C(Nc1ccc2OCCOc2c1)c1cc(cs1)[*:1]
COc1cccc(CCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 COc1cccc(c1)[*:1] Cn1nc(C(=O)NNC(=O)CC[*:1])c2ccccc2c1=O
COc1cccc(CCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 COc1cccc(c1)C[*:1] Cn1nc(C(=O)NNC(=O)C[*:1])c2ccccc2c1=O
O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2nccn2-c2ccccc2F)CC1 Clc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1nccn1-c1ccccc1F
O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2nccn2-c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C([C@H]1CC(=O)N(C1)c1ccc(Cl)cc1)N1CCN(CC1)c1nccn1[*:1]
COC(=O)CCCCNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 COC(=O)CCC[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)NC[*:1]
COC(=O)CCCCNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 COC(=O)[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)NCCCC[*:1]
COC(=O)CCCCNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 COC(=O)C[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)NCCC[*:1]
COC(=O)CCCCNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 COC(=O)CCCC[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)N[*:1]
COC(=O)CCCCNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 COC(=O)CC[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)NCC[*:1]
NC(=O)[C@H]1CCCN1S(=O)(=O)Cc1cc(Cl)ccc1F NC(=O)[*:1] O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@@H]1[*:1]
Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCCc3ccc(O)cc3)ccc21 Oc1ccc(cc1)CC[*:1] Cn1c(=O)n(C)c2cc(ccc21)NC(=O)C(=O)N[*:1]
Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCCc3ccc(O)cc3)ccc21 Oc1ccc(cc1)C[*:1] Cn1c(=O)n(C)c2cc(ccc21)NC(=O)C(=O)NC[*:1]
Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCCc3ccc(O)cc3)ccc21 Oc1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)NC(=O)C(=O)NCC[*:1]
Cc1c(C[NH2+][C@@H](CO)C(C)C)cnn1C CC(C)[*:1] Cc1c(cnn1C)C[NH2+][C@@H](CO)[*:1]
Cc1sc2ncnc(SCC(=O)c3ccc(S(C)(=O)=O)cc3)c2c1C CS(=O)(=O)[*:1] Cc1sc2ncnc(SCC(=O)c3ccc(cc3)[*:1])c2c1C
CCC1(CC)CCN(C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 O=C([O-])[*:1] CCC1(CC)CCN(C1)C(=O)N1CC[C@](C)(C1)[*:1]
C[C@H]1CCC[C@H](O[C@@H](C)C(=O)NCc2ccc(C(N)=O)o2)C1 NC(=O)[*:1] C[C@H]1CCC[C@@H](C1)O[C@@H](C)C(=O)NCc1ccc(o1)[*:1]
C[C@H]1CCC[C@H](O[C@@H](C)C(=O)NCc2ccc(C(N)=O)o2)C1 C[C@H]1CCC[C@H](C1)[*:1] C[C@H](O[*:1])C(=O)NCc1ccc(o1)C(N)=O
O=C(NCc1ccccn1)c1cnc(-c2cccnc2)nc1[O-] c1ccc(C[*:1])nc1 O=C(N[*:1])c1cnc(nc1[O-])-c1cccnc1
O=C(NCc1ccccn1)c1cnc(-c2cccnc2)nc1[O-] c1cncc(c1)[*:1] O=C(NCc1ccccn1)c1cnc(nc1[O-])[*:1]
O=C(NCc1ccccn1)c1cnc(-c2cccnc2)nc1[O-] c1ccc(nc1)[*:1] O=C(NC[*:1])c1cnc(nc1[O-])-c1cccnc1
Cc1ccccc1NC(=O)c1ccc(SCc2cccnc2)cc1 c1cncc(c1)CS[*:1] Cc1ccccc1NC(=O)c1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)c1ccc(SCc2cccnc2)cc1 c1cncc(c1)[*:1] Cc1ccccc1NC(=O)c1ccc(cc1)SC[*:1]
Cc1ccccc1NC(=O)c1ccc(SCc2cccnc2)cc1 Cc1ccccc1[*:1] O=C(N[*:1])c1ccc(cc1)SCc1cccnc1
Cc1ccccc1NC(=O)c1ccc(SCc2cccnc2)cc1 c1cncc(c1)C[*:1] Cc1ccccc1NC(=O)c1ccc(cc1)S[*:1]
COC(=O)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3)C2=O)cc1 COC(=O)[*:1] O=C1S/C(=C\c2ccc(cc2)[*:1])C(=O)N1CNc1ccccc1
COC(=O)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3)C2=O)cc1 c1ccc(cc1)N[*:1] COC(=O)c1ccc(/C=C2\SC(=O)N(C[*:1])C2=O)cc1
COC(=O)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3)C2=O)cc1 c1ccc(cc1)NC[*:1] COC(=O)c1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1
COC(=O)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(/C=C2\SC(=O)N(CN[*:1])C2=O)cc1
C[C@@H](Cc1cccs1)N(C)C(=O)Cc1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)C[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)Cc1ccc(Br)s1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)Cc1ccc(Br)s1
C[C@@H](Cc1cccs1)N(C)C(=O)Cc1ccc(Br)s1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)Cc1ccc(Br)s1)[*:1]
Cc1noc(C)c1CCCNC(=O)NC[C@H]1C[C@H]1c1ccccc1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])NC[C@H]1C[C@H]1c1ccccc1
Cc1noc(C)c1CCCNC(=O)NC[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1CCCNC(=O)NC[C@H]1C[C@@H]1[*:1]
Cc1noc(C)c1CCCNC(=O)NC[C@H]1C[C@H]1c1ccccc1 Cc1noc(C)c1C[*:1] O=C(NCC[*:1])NC[C@H]1C[C@H]1c1ccccc1
O=[N+]([O-])c1cc(COc2ccc(Cl)c(Cl)c2)cs1 O=[N+]([O-])[*:1] Clc1ccc(cc1Cl)OCc1csc(c1)[*:1]
CC[NH2+][C@@H](C1CCC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 C1CC(C1)[*:1] CC[NH2+][C@@H]([C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC[NH2+][C@@H](C1CCC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[NH2+][C@@H](C1CCC1)[C@H]1CCC[C@H](C1)[*:1]
Cc1cc(NC(=O)/C=C/c2cccs2)n(-c2nc3ccccc3[nH]2)n1 c1csc(c1)[*:1] Cc1cc(NC(=O)C=C[*:1])n(n1)-c1nc2ccccc2[nH]1
Cc1cc(NC(=O)/C=C/c2cccs2)n(-c2nc3ccccc3[nH]2)n1 C(=C[*:1])c1cccs1 Cc1cc(NC(=O)[*:1])n(n1)-c1nc2ccccc2[nH]1
O=C(Nc1nc2c(s1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2)NC1CCCC1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)C[*:1])NC1CCCC1
O=C(Nc1nc2c(s1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2)NC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)Cc1ccc(cc1)[N+](=O)[O-])N[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2)NC1CCCC1 O=[N+]([O-])[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)Cc1ccc(cc1)[*:1])NC1CCCC1
O=C(Nc1nc2c(s1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2)NC1CCCC1 O=[N+]([O-])c1ccc(cc1)C[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])NC1CCCC1
O=C(Nc1nc2c(s1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2)NC1CCCC1 O=C(NC1CCCC1)N[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N1CCc2nc(sc2C1)[*:1]
CC(=O)Oc1cc2c(cc1Cl)[C@@]1(C[C@H](c3ccccc3)O2)CC(C)(C)NC(=S)N1 c1ccc(cc1)[*:1] CC(=O)Oc1cc2O[C@@H](C[C@@]3(CC(C)(C)NC(=S)N3)c2cc1Cl)[*:1]
CC(=O)Oc1cc2c(cc1Cl)[C@@]1(C[C@H](c3ccccc3)O2)CC(C)(C)NC(=S)N1 CC(=O)O[*:1] CC1(C)C[C@@]2(C[C@@H](Oc3cc(c(Cl)cc32)[*:1])c2ccccc2)NC(=S)N1
CC1(C)C[NH+]=C(N2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)S1 FC(F)(F)C[*:1] CC1(C)C[NH+]=C(S1)N1CCN(CC1)[C@@H]1CCN(C1=O)[*:1]
CC1(C)C[NH+]=C(N2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)S1 FC(F)(F)[*:1] CC1(C)C[NH+]=C(S1)N1CCN(CC1)[C@@H]1CCN(C[*:1])C1=O
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccnc(OC2CCC2)c1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccnc(c1)OC1CCC1
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccnc(OC2CCC2)c1 c1cc(cs1)C[*:1] C[C@@H](N(C)C(=O)c1ccnc(c1)OC1CCC1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccnc(c1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccnc(c1)O[*:1]
Cc1cc(C(=O)NNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(CCCc1nc2ccccc2c(=O)[nH]1)NNC(=O)[*:1]
CC(C)c1ccc(NC(=O)Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)cc1 CC(C)[*:1] O=C(Cn1nc2c(cccn2c1=O)-c1nc(no1)-c1ccccc1)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)cc1 CC(C)c1ccc(cc1)[*:1] O=C(Cn1nc2c(cccn2c1=O)-c1nc(no1)-c1ccccc1)N[*:1]
CC(C)c1ccc(NC(=O)Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)Cn1nc2c(cccn2c1=O)-c1nc(no1)[*:1]
CC(C)c1ccc(NC(=O)Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)cc1 c1ccc(cc1)-c1noc(n1)[*:1] CC(C)c1ccc(cc1)NC(=O)Cn1nc2c(cccn2c1=O)[*:1]
O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cc(Cl)ccc1N1CCOCC1)[*:1]
O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1ccccc1
CC(C)N(CCO)C(=O)c1nnn[n-]1 OCC[*:1] CC(C)N(C(=O)c1nnn[n-]1)[*:1]
CC(C)N(CCO)C(=O)c1nnn[n-]1 CC(C)[*:1] O=C(c1nnn[n-]1)N(CCO)[*:1]
CCOC(=O)c1c(NC(=S)NC(=O)c2c(Cl)cnn2C)sc2c1CC[C@@H](C)C2 Cn1ncc(Cl)c1[*:1] CCOC(=O)c1c(NC(=S)NC(=O)[*:1])sc2C[C@H](C)CCc21
CCOC(=O)c1c(NC(=S)NC(=O)c2c(Cl)cnn2C)sc2c1CC[C@@H](C)C2 CCOC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=S)NC(=O)c1c(Cl)cnn1C)c2[*:1]
CCSCCC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CCSCCC(=O)N[C@H]1CCC[C@H]1C[*:1]
CCSCCC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 CCS[*:1] O=C(CC[*:1])N[C@H]1CCC[C@H]1Cc1ccccc1
CCSCCC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 CCSC[*:1] O=C(C[*:1])N[C@H]1CCC[C@H]1Cc1ccccc1
CCSCCC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 CCSCC[*:1] O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)[*:1]
CCc1ocnc1C(=O)N[C@H](C)Cc1c(Cl)cccc1Cl CCc1ocnc1[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[*:1]
COC(=O)c1ccc(C(=O)N[C@H](C)CCC2CCCC2)nc1 COC(=O)[*:1] C[C@H](CCC1CCCC1)NC(=O)c1ccc(cn1)[*:1]
COC(=O)c1ccc(C(=O)N[C@H](C)CCC2CCCC2)nc1 C1CCC(C1)CC[*:1] COC(=O)c1ccc(nc1)C(=O)N[C@H](C)[*:1]
COC(=O)c1ccc(C(=O)N[C@H](C)CCC2CCCC2)nc1 C1CCC(C1)C[*:1] COC(=O)c1ccc(nc1)C(=O)N[C@H](C)C[*:1]
COC(=O)c1ccc(C(=O)N[C@H](C)CCC2CCCC2)nc1 C1CCC(C1)[*:1] COC(=O)c1ccc(nc1)C(=O)N[C@H](C)CC[*:1]
N#CC1=C(NC(=O)c2cccc([N+](=O)[O-])c2)CCC1 O=[N+]([O-])[*:1] N#CC1CCCC=1NC(=O)c1cccc(c1)[*:1]
CCOCc1cccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 CCO[*:1] C[C@@H](C(=O)Nc1cccc(c1)C[*:1])[NH+]1CCCCCC1
CCOCc1cccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 CCOC[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])[NH+]1CCCCCC1
OCC#Cc1csc(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1 OCC#C[*:1] c1ccc2oc(nc2c1)[C@H]1CCCN(Cc2cc(cs2)[*:1])C1
Cc1ccc(F)c(-c2ccc(C(=O)[O-])cc2C)c1 O=C([O-])[*:1] Cc1ccc(F)c(c1)-c1ccc(cc1C)[*:1]
CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C)nc1 CC[C@H](C)NC(=O)[*:1] Cc1ccc(cn1)C(=O)N1CSC[C@H]1[*:1]
CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C)nc1 CC[C@H](C)[*:1] Cc1ccc(cn1)C(=O)N1CSC[C@H]1C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C)nc1 Cc1ccc(cn1)[*:1] CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(CCc2ccccn2)CC1 c1ccc(CC[*:1])nc1 N#Cc1ccccc1S(=O)(=O)N1CCN(CC1)[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(CCc2ccccn2)CC1 c1ccc(C[*:1])nc1 N#Cc1ccccc1S(=O)(=O)N1CCN(CC1)C[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(CCc2ccccn2)CC1 c1ccc(nc1)[*:1] N#Cc1ccccc1S(=O)(=O)N1CCN(CC1)CC[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(CCc2ccccn2)CC1 N#Cc1ccccc1[*:1] O=S(=O)(N1CCN(CCc2ccccn2)CC1)[*:1]
CSC[C@H](C)C(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] CSC[C@H](C)C(=O)N1CCCc2cc(ccc21)[*:1]
CSC[C@H](C)C(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 CSC[*:1] C[C@H](C(=O)N1CCCc2cc(ccc21)S(C)(=O)=O)[*:1]
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1OCC C=CCO[*:1] CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1[*:1]
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1OCC C=CC[*:1] CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1O[*:1]
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1OCC CCO[*:1] C=CCOc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1[*:1]
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1OCC CN(C)C(=O)[*:1] C=CCOc1c(I)cc(C=C(C#N)[*:1])cc1OCC
COc1ccccc1O[C@@H](C)CNC(=O)C(C)(C)c1cccs1 c1csc(c1)[*:1] COc1ccccc1O[C@@H](C)CNC(=O)C(C)(C)[*:1]
CCOc1cccc(C[NH2+]C)c1O[C@H]1CCCCNC1=O CCO[*:1] C[NH2+]Cc1cccc(c1O[C@H]1CCCCNC1=O)[*:1]
C[C@@H](CO)NC(=O)Nc1ccc(F)cc1Cl C[C@@H](CO)[*:1] O=C(Nc1ccc(F)cc1Cl)N[*:1]
Cc1ccc(NC(=S)NNC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)NC(=S)NNC(=O)[*:1]
O=C(C[C@H]1COCC[NH2+]1)Nc1cncc(C(=O)[O-])c1 O=C([O-])[*:1] O=C(C[C@H]1COCC[NH2+]1)Nc1cncc(c1)[*:1]
c1cnc(SCCC[NH2+]Cc2cccs2)nc1 c1csc(c1)[*:1] c1cnc(nc1)SCCC[NH2+]C[*:1]
C[C@H]1C(=O)N(CCOc2cccc(C(N)=S)c2)C(=O)[C@@H]1C NC(=S)[*:1] C[C@H]1C(=O)N(CCOc2cccc(c2)[*:1])C(=O)[C@@H]1C
CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(CO)CC1 CC(C)C[*:1] C[NH+](C)C[C@H](NC(=O)N1CCC(CO)CC1)[*:1]
CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(CO)CC1 CC(C)[*:1] C[NH+](C)C[C@@H](C[*:1])NC(=O)N1CCC(CO)CC1
CC(C)[NH2+][C@]1(CO)CC[C@H](Sc2ccccn2)C1 CC(C)[*:1] OC[C@]1(CC[C@@H](C1)Sc1ccccn1)[NH2+][*:1]
CC(C)[NH2+][C@]1(CO)CC[C@H](Sc2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)[NH2+][C@]1(CO)CC[C@@H](C1)S[*:1]
Cc1cc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)N1CCN(CC1)C1=NS(=O)(=O)c2ccccc21
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc[nH]c2C)C1 COC(=O)[*:1] Cc1[nH]ccc1C(=O)N1CCC[C@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc[nH]c2C)C1 COC(=O)C(C)(C)[*:1] Cc1[nH]ccc1C(=O)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc[nH]c2C)C1 Cc1[nH]ccc1[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)[*:1]
CSc1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 O=C([O-])[*:1] CSc1ccc(cc1)C[C@H]([NH3+])[*:1]
Nn1c(SCc2ccc(Br)cc2F)nnc1-c1ccc(OC(F)F)cc1 FC(F)[*:1] Nn1c(nnc1-c1ccc(cc1)O[*:1])SCc1ccc(Br)cc1F
Nn1c(SCc2ccc(Br)cc2F)nnc1-c1ccc(OC(F)F)cc1 FC(F)O[*:1] Nn1c(nnc1-c1ccc(cc1)[*:1])SCc1ccc(Br)cc1F
Nn1c(SCc2ccc(Br)cc2F)nnc1-c1ccc(OC(F)F)cc1 Fc1cc(Br)ccc1[*:1] Nn1c(nnc1-c1ccc(cc1)OC(F)F)SC[*:1]
CC(C)(C)OC1CC[NH+](Cc2cc3ccccc3s2)CC1 CC(C)(C)O[*:1] c1ccc2sc(cc2c1)C[NH+]1CCC(CC1)[*:1]
CC(C)(C)OC1CC[NH+](Cc2cc3ccccc3s2)CC1 CC(C)(C)[*:1] c1ccc2sc(cc2c1)C[NH+]1CCC(CC1)O[*:1]
CCC[C@H]1CC[C@H](C[NH3+])[C@H](N2CCOCC2)C1 CCC[*:1] [NH3+]C[C@H]1CC[C@@H](C[C@H]1N1CCOCC1)[*:1]
O=C(c1ccc([O-])nn1)N1CCC[NH+](Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C(c1ccc([O-])nn1)N1CCC[NH+](CC1)[*:1]
O=C(c1ccc([O-])nn1)N1CCC[NH+](Cc2cccs2)CC1 c1csc(c1)[*:1] O=C(c1ccc([O-])nn1)N1CCC[NH+](CC1)C[*:1]
O=C(c1ccc([O-])nn1)N1CCC[NH+](Cc2cccs2)CC1 [O-]c1ccc(nn1)[*:1] O=C(N1CCC[NH+](CC1)Cc1cccs1)[*:1]
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2NC(=O)[C@@H]3COCCN32)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)-c1nn(cc1[C@H]1NC(=O)[C@@H]2COCCN21)[*:1]
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2NC(=O)[C@@H]3COCCN32)c1 Cc1cccc(c1)[*:1] O=C1N[C@H](c2cn(nc2[*:1])-c2ccc(F)cc2)N2CCOC[C@@H]12
Cl/C=C(/Cl)COc1ccc2nccnc2c1 Cl/C=C(/Cl)C[*:1] c1cnc2cc(ccc2n1)O[*:1]
Cl/C=C(/Cl)COc1ccc2nccnc2c1 Cl/C=C(/Cl)[*:1] c1cnc2cc(ccc2n1)OC[*:1]
CC[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] CC[C@@H](Sc1cc(ncn1)[*:1])C(=O)Nc1cccc(Cl)c1
CC[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](Sc1cc(ncn1)-c1ccccc1)C(=O)N[*:1]
COC(=O)[C@H](C)[C@@H](C)[S@@](=O)c1ccc(S(C)(=O)=O)cc1 COC(=O)[C@H](C)[*:1] C[C@@H]([S@@](=O)c1ccc(cc1)S(C)(=O)=O)[*:1]
COC(=O)[C@H](C)[C@@H](C)[S@@](=O)c1ccc(S(C)(=O)=O)cc1 COC(=O)[*:1] C[C@H]([C@@H](C)[S@@](=O)c1ccc(cc1)S(C)(=O)=O)[*:1]
COC(=O)[C@H](C)[C@@H](C)[S@@](=O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] COC(=O)[C@H](C)[C@@H](C)[S@@](=O)c1ccc(cc1)[*:1]
O=C(c1ccc2c(c1)COCO2)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc2OCOCc2c1)N1CC[C@@H](CS[*:1])C1
O=C(c1ccc2c(c1)COCO2)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)S[*:1] O=C(c1ccc2OCOCc2c1)N1CC[C@H](C1)C[*:1]
O=C(c1ccc2c(c1)COCO2)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)SC[*:1] O=C(c1ccc2OCOCc2c1)N1CC[C@@H](C1)[*:1]
CCCCCCNc1nc2ccc(F)cc2s1 CCCC[*:1] Fc1ccc2nc(NCC[*:1])sc2c1
CCCCCCNc1nc2ccc(F)cc2s1 CCC[*:1] Fc1ccc2nc(NCCC[*:1])sc2c1
CCCCCCNc1nc2ccc(F)cc2s1 CCCCC[*:1] Fc1ccc2nc(NC[*:1])sc2c1
C#Cc1cccc(N(Cc2ccco2)C(=O)CSC)c1 c1coc(c1)C[*:1] C#Cc1cccc(c1)N(C(=O)CSC)[*:1]
C#Cc1cccc(N(Cc2ccco2)C(=O)CSC)c1 c1coc(c1)[*:1] C#Cc1cccc(c1)N(C[*:1])C(=O)CSC
C#Cc1cccc(N(Cc2ccco2)C(=O)CSC)c1 CSC[*:1] C#Cc1cccc(c1)N(Cc1ccco1)C(=O)[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 Fc1ccc(F)c(c1)[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)NC(=O)c1ccco1)[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(cc1)[*:1]
CCCn1nnnc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 CCCn1nnnc1[*:1] O=C(Nc1ccc(F)cc1)NC1CC[NH+](CC1)C[*:1]
CCCn1nnnc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 CCC[*:1] O=C(Nc1ccc(F)cc1)NC1CC[NH+](CC1)Cc1nnnn1[*:1]
CCCn1nnnc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCCn1nnnc1C[NH+]1CCC(CC1)NC(=O)N[*:1]
O=S(=O)(c1ccccc1)n1ccc2ccc(Br)nc21 c1ccc(cc1)[*:1] O=S(=O)(n1ccc2ccc(Br)nc21)[*:1]
O=C(Nc1cccc(F)c1)C(=O)N[C@H](c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] O=C(Nc1cccc(F)c1)C(=O)N[C@H](C1CCCC1)[*:1]
O=C(Nc1cccc(F)c1)C(=O)N[C@H](c1ccccc1F)C1CCCC1 Fc1cccc(c1)[*:1] O=C(N[C@H](c1ccccc1F)C1CCCC1)C(=O)N[*:1]
O=C(Nc1cccc(F)c1)C(=O)N[C@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cccc(F)c1)C(=O)N[C@H](c1ccccc1F)[*:1]
Cc1cc(N2N=C(C(=O)[O-])C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1cc(c(cc1C)[*:1])N1N=C(C[C@H]1c1ccccc1)C(=O)[O-]
Cc1cc(N2N=C(C(=O)[O-])C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1C c1ccc(cc1)[*:1] Cc1cc(c(cc1C)[N+](=O)[O-])N1N=C(C[C@@H]1[*:1])C(=O)[O-]
CC(C)C[C@@H](C)n1c(-c2cccnc2)n[nH]c1=S CC(C)C[C@@H](C)[*:1] S=c1[nH]nc(-c2cccnc2)n1[*:1]
CC(C)C[C@@H](C)n1c(-c2cccnc2)n[nH]c1=S c1cncc(c1)[*:1] CC(C)C[C@@H](C)n1c(n[nH]c1=S)[*:1]
CC(C)C[C@@H](C)n1c(-c2cccnc2)n[nH]c1=S CC(C)[*:1] C[C@H](C[*:1])n1c(n[nH]c1=S)-c1cccnc1
CC(C)C[C@@H](C)n1c(-c2cccnc2)n[nH]c1=S CC(C)C[*:1] C[C@@H](n1c(n[nH]c1=S)-c1cccnc1)[*:1]
O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCO[C@H](c2cccc(F)c2)C1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CCO[C@@H](C1)c1cccc(F)c1
O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCO[C@H](c2cccc(F)c2)C1 FC(F)(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCO[C@@H](C1)c1cccc(F)c1
O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCO[C@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)N1CCO[C@H](C1)[*:1]
CC(C)[C@@H]1C(=O)NC(C)(C)C(=O)N1[C@H]1CCCC1(C)C CC(C)[*:1] CC1(C)NC(=O)[C@H](N(C1=O)[C@H]1CCCC1(C)C)[*:1]
CC(C)C[C@H](CO)NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 CC(C)[*:1] O=C(N[C@@H](CO)C[*:1])[C@@H]1Cc2[nH+]c[nH]c2CN1
CC(C)C[C@H](CO)NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 CC(C)C[*:1] O=C(N[C@@H](CO)[*:1])[C@@H]1Cc2[nH+]c[nH]c2CN1
CC[C@@H]1CC(=O)N(C[C@H]([NH2+]C)C2CC2)C1 C1CC1[*:1] CC[C@@H]1CC(=O)N(C1)C[C@H]([NH2+]C)[*:1]
Cc1ocnc1CNC(=O)Nc1cccc(Cl)c1C Cc1ocnc1[*:1] Cc1c(Cl)cccc1NC(=O)NC[*:1]
N#CCCn1cc(C(=O)[O-])c(-c2cccc([N+](=O)[O-])c2)n1 N#CCC[*:1] O=C([O-])c1cn(nc1-c1cccc(c1)[N+](=O)[O-])[*:1]
N#CCCn1cc(C(=O)[O-])c(-c2cccc([N+](=O)[O-])c2)n1 N#CC[*:1] O=C([O-])c1cn(C[*:1])nc1-c1cccc(c1)[N+](=O)[O-]
N#CCCn1cc(C(=O)[O-])c(-c2cccc([N+](=O)[O-])c2)n1 O=C([O-])[*:1] N#CCCn1cc(c(n1)-c1cccc(c1)[N+](=O)[O-])[*:1]
N#CCCn1cc(C(=O)[O-])c(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] N#CCCn1cc(C(=O)[O-])c(n1)-c1cccc(c1)[*:1]
Cc1c(C[NH2+]CC2(CC(C)C)CCCC2)cnn1C CC(C)[*:1] Cc1c(cnn1C)C[NH2+]CC1(CCCC1)C[*:1]
Cc1c(C[NH2+]CC2(CC(C)C)CCCC2)cnn1C CC(C)C[*:1] Cc1c(cnn1C)C[NH2+]CC1(CCCC1)[*:1]
CCc1ccc(NCc2nc([C@H](C)OC)no2)cc1CC CO[C@@H](C)[*:1] CCc1ccc(cc1CC)NCc1nc(no1)[*:1]
O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)N1CCN(CC1)c1cccc(Cl)c1)NC[*:1]
O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)N1CCN(CC1)c1cccc(Cl)c1)NCC[*:1]
O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCCc1ccccc1 Clc1cccc(c1)[*:1] O=C(CNC(=O)N1CCN(CC1)[*:1])NCCc1ccccc1
O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(CNC(=O)N1CCN(CC1)c1cccc(Cl)c1)N[*:1]
COC(=O)c1cccc(CNC(=O)Nc2ccnn2Cc2ccccn2)c1 COC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])Nc1ccnn1Cc1ccccn1
COC(=O)c1cccc(CNC(=O)Nc2ccnn2Cc2ccccn2)c1 c1ccc(nc1)[*:1] COC(=O)c1cccc(c1)CNC(=O)Nc1ccnn1C[*:1]
COC(=O)c1cccc(CNC(=O)Nc2ccnn2Cc2ccccn2)c1 c1ccc(C[*:1])nc1 COC(=O)c1cccc(c1)CNC(=O)Nc1ccnn1[*:1]
Fc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 Fc1ccc(cc1)[*:1] c1cn(cn1)-c1ccc(cc1)C[NH2+]C[*:1]
Fc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 c1cn(cn1)[*:1] Fc1ccc(cc1)C[NH2+]Cc1ccc(cc1)[*:1]
CC(C)Nc1ccc(F)cc1NC(=O)c1ccn(-c2ccccc2)n1 CC(C)N[*:1] O=C(Nc1cc(F)ccc1[*:1])c1ccn(n1)-c1ccccc1
CC(C)Nc1ccc(F)cc1NC(=O)c1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)Nc1ccc(F)cc1NC(=O)c1ccn(n1)[*:1]
CC(C)Nc1ccc(F)cc1NC(=O)c1ccn(-c2ccccc2)n1 CC(C)[*:1] O=C(Nc1cc(F)ccc1N[*:1])c1ccn(n1)-c1ccccc1
CC(C)CNC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)OCC2(C)C)C1 CC(C)C[*:1] C[C@@H]1CN(C(=O)[C@H]2CCCN(C2)C(=O)N[*:1])C(C)(C)CO1
CC(C)CNC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)OCC2(C)C)C1 CC(C)[*:1] C[C@@H]1CN(C(=O)[C@H]2CCCN(C2)C(=O)NC[*:1])C(C)(C)CO1
C[S@](=O)c1ccc(C[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)cc1 C[S@](=O)[*:1] c1cc(ccc1C[NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)n1cccn1 c1cnn(c1)[*:1] Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)[*:1]
Cn1nnnc1SCC(=O)N1CCSc2ccccc21 Cn1nnnc1[*:1] O=C(CS[*:1])N1CCSc2ccccc21
COC(=O)Cn1nc(-c2ccncc2)nc1-c1ccncc1 c1cc(ccn1)[*:1] COC(=O)Cn1nc(nc1-c1ccncc1)[*:1]
COC(=O)Cn1nc(-c2ccncc2)nc1-c1ccncc1 COC(=O)[*:1] c1cc(ccn1)-c1nc(-c2ccncc2)n(C[*:1])n1
COC(=O)Cn1nc(-c2ccncc2)nc1-c1ccncc1 COC(=O)C[*:1] c1cc(ccn1)-c1nc(-c2ccncc2)n(n1)[*:1]
COC(=O)Cn1nc(-c2ccncc2)nc1-c1ccncc1 c1cc(ccn1)[*:1] COC(=O)Cn1nc(nc1[*:1])-c1ccncc1
O=C(/C=C/c1cnc2ccccc2n1)Oc1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(/C=C/c1cnc2ccccc2n1)Oc1cc(F)ccc1[*:1]
CCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccncc1)C2=O CCC(=O)O[*:1] Cc1cc(cc2O/C(=C\c3ccncc3)C(=O)c12)[*:1]
CCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccncc1)C2=O c1cc(ccn1)[*:1] CCC(=O)Oc1cc(C)c2C(=O)C(=C[*:1])Oc2c1
CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)c1 CC(=O)N[*:1] CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)[C@H](C)[NH2+]C[C@H]1CCCO[C@H]1[*:1]
NC(=O)c1cccnc1N1CCO[C@@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)c1cccnc1N1CCO[C@H](C1)C[*:1]
NC(=O)c1cccnc1N1CCO[C@@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] NC(=O)c1cccnc1N1CCO[C@@H](C1)[*:1]
NC(=O)c1cccnc1N1CCO[C@@H](Cc2ccccc2)C1 NC(=O)[*:1] c1ccc(cc1)C[C@H]1CN(CCO1)c1ncccc1[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)n2)cc1 CC(C)=C[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)[C@H]1[C@H](C1(C)C)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)n2)cc1 CC(=O)N[*:1] CC(C)=C[C@H]1[C@H](C(=O)Nc2nc(cs2)-c2ccc(cc2)[*:1])C1(C)C
CCC[NH2+][C@@H]1[C@@H](CN2CC[C@H]([NH+](C)C)C2)CCC1(C)C CCC[*:1] C[NH+](C)[C@H]1CCN(C1)C[C@H]1CCC(C)(C)[C@@H]1[NH2+][*:1]
Cc1nc2ccccc2c(C)c1CC(=O)NCCn1cccc1 c1ccn(c1)CC[*:1] Cc1nc2ccccc2c(C)c1CC(=O)N[*:1]
Cc1nc2ccccc2c(C)c1CC(=O)NCCn1cccc1 c1ccn(c1)[*:1] Cc1nc2ccccc2c(C)c1CC(=O)NCC[*:1]
Cc1nc2ccccc2c(C)c1CC(=O)NCCn1cccc1 c1ccn(c1)C[*:1] Cc1nc2ccccc2c(C)c1CC(=O)NC[*:1]
Cc1csc(CN(CCCO)c2ccccc2)n1 Cc1csc(n1)[*:1] OCCCN(C[*:1])c1ccccc1
Cc1csc(CN(CCCO)c2ccccc2)n1 OCCC[*:1] Cc1csc(CN(c2ccccc2)[*:1])n1
Cc1csc(CN(CCCO)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(CN(CCCO)[*:1])n1
Cc1csc(CN(CCCO)c2ccccc2)n1 OCC[*:1] Cc1csc(CN(C[*:1])c2ccccc2)n1
CCNc1nc(OCC)nc(-c2cscc2Br)n1 Brc1cscc1[*:1] CCNc1nc(nc(n1)[*:1])OCC
CCNc1nc(OCC)nc(-c2cscc2Br)n1 CCO[*:1] CCNc1nc(nc(n1)[*:1])-c1cscc1Br
CCNc1nc(OCC)nc(-c2cscc2Br)n1 CCN[*:1] CCOc1nc(nc(n1)[*:1])-c1cscc1Br
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSCc2ccccc2)c1C c1ccc(cc1)C[*:1] Cc1cc(cc(NC(=O)CS[*:1])c1C)S(N)(=O)=O
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSCc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cc(cc(NC(=O)CSC[*:1])c1C)S(N)(=O)=O
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSCc2ccccc2)c1C c1ccc(cc1)CS[*:1] Cc1cc(cc(NC(=O)C[*:1])c1C)S(N)(=O)=O
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSCc2ccccc2)c1C NS(=O)(=O)[*:1] Cc1cc(cc(NC(=O)CSCc2ccccc2)c1C)[*:1]
Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 C1CN(CCO1)[*:1] Cc1cc(C)cc(c1)NC(=O)N1CCN(CC1)c1cc(nc(C)n1)[*:1]
Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 Cc1cc(C)cc(c1)[*:1] Cc1nc(cc(n1)N1CCN(CC1)C(=O)N[*:1])N1CCOCC1
CN(C)C(=O)COc1cccc(NC(=O)NCc2cccc(C(F)(F)F)c2)c1 CN(C)C(=O)[*:1] O=C(NCc1cccc(c1)C(F)(F)F)Nc1cccc(c1)OC[*:1]
CN(C)C(=O)COc1cccc(NC(=O)NCc2cccc(C(F)(F)F)c2)c1 CN(C)C(=O)CO[*:1] O=C(NCc1cccc(c1)C(F)(F)F)Nc1cccc(c1)[*:1]
CN(C)C(=O)COc1cccc(NC(=O)NCc2cccc(C(F)(F)F)c2)c1 CN(C)C(=O)C[*:1] O=C(NCc1cccc(c1)C(F)(F)F)Nc1cccc(c1)O[*:1]
CN(C)C(=O)COc1cccc(NC(=O)NCc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] CN(C)C(=O)COc1cccc(c1)NC(=O)NCc1cccc(c1)[*:1]
C[C@H](NC(=O)CC1CCCCC1)c1ccc(-n2cncn2)cc1 C1CCC(CC1)C[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-n1cncn1
C[C@H](NC(=O)CC1CCCCC1)c1ccc(-n2cncn2)cc1 C1CCC(CC1)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-n1cncn1
C[C@H](NC(=O)CC1CCCCC1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)CC1CCCCC1)c1ccc(cc1)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C1CCN(CC1)c1nc2ccccc2o1)N1CCC[C@H]1[*:1]
COc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1OC c1ccc2oc(nc2c1)[*:1] COc1ccc(cc1OC)[C@@H]1CCCN1C(=O)C1CCN(CC1)[*:1]
O=C(NCCCSc1ccc(F)cc1)NCc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(NCCCSc1ccc(F)cc1)NC[*:1]
O=C(NCCCSc1ccc(F)cc1)NCc1ccc(Cl)nc1 Fc1ccc(cc1)[*:1] O=C(NCCCS[*:1])NCc1ccc(Cl)nc1
O[C@H]1CCCC[C@H]1C[NH+](Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O[C@H]1CCCC[C@H]1C[NH+](Cc1ccccc1)[*:1]
O[C@H]1CCCC[C@H]1C[NH+](Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O[C@H]1CCCC[C@H]1C[NH+](Cc1ccccc1)C[*:1]
Cc1ccc(CCC(=O)NCc2ccccn2)o1 c1ccc(nc1)[*:1] Cc1ccc(CCC(=O)NC[*:1])o1
Cc1ccc(CCC(=O)NCc2ccccn2)o1 Cc1ccc(o1)[*:1] O=C(CC[*:1])NCc1ccccn1
COCCN1C[C@@H](C(=O)N[C@H](C)c2ccccc2C)CC1=O Cc1ccccc1[*:1] COCCN1C[C@H](CC1=O)C(=O)N[C@H](C)[*:1]
COCCN1C[C@@H](C(=O)N[C@H](C)c2ccccc2C)CC1=O COCC[*:1] Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COCCN1C[C@@H](C(=O)N[C@H](C)c2ccccc2C)CC1=O COC[*:1] Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
CCc1nn(C)cc1CNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C CC(C)[*:1] CCc1nn(C)cc1CNC(=O)c1cc(nc2c1cnn2[*:1])-c1cc(C)sc1C
CCc1nn(C)cc1CNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C CCc1nn(C)cc1[*:1] Cc1cc(-c2cc(C(=O)NC[*:1])c3cnn(c3n2)C(C)C)c(C)s1
CCc1nn(C)cc1CNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C CCc1nn(C)cc1C[*:1] Cc1cc(-c2cc(C(=O)N[*:1])c3cnn(c3n2)C(C)C)c(C)s1
CCc1nn(C)cc1CNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C Cc1cc(c(C)s1)[*:1] CCc1nn(C)cc1CNC(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
COc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)c(OC)c1OC Cc1cccc(c1)[*:1] COc1ccc(CN2CC[NH+](CC2)C[*:1])c(OC)c1OC
COc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)c(OC)c1OC Cc1cccc(c1)C[*:1] COc1ccc(CN2CC[NH+](CC2)[*:1])c(OC)c1OC
C[C@H]1CN(Cc2ccc(C[NH2+]C(C)(C)C)cn2)[C@H](C)CO1 CC(C)(C)[*:1] C[C@H]1CN(Cc2ccc(cn2)C[NH2+][*:1])[C@H](C)CO1
CCOC(=O)c1csc(=NN=C2CC(=O)c3ccccc32)n1C(=O)CCl CCOC(=O)[*:1] O=C1CC(=NN=c2scc(n2C(=O)CCl)[*:1])c2ccccc21
Cc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2Cc2cccnc2)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)[C@@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccc(Cl)cc1
Cc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2Cc2cccnc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1c2c(n[nH]c2C(=O)N1Cc1cccnc1)[*:1]
Cc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2Cc2cccnc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)[C@@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1ccc(Cl)cc1
Cc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2Cc2cccnc2)cc1 Cc1ccc(cc1)[*:1] O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H](N1Cc1cccnc1)[*:1]
Nc1nnc(SCC(=O)NCCc2cc(N3CCCC3)ncn2)s1 Nc1nnc(S[*:1])s1 O=C(C[*:1])NCCc1cc(ncn1)N1CCCC1
Nc1nnc(SCC(=O)NCCc2cc(N3CCCC3)ncn2)s1 C1CCN(C1)[*:1] Nc1nnc(SCC(=O)NCCc2cc(ncn2)[*:1])s1
Nc1nnc(SCC(=O)NCCc2cc(N3CCCC3)ncn2)s1 Nc1nnc(SC[*:1])s1 O=C(NCCc1cc(ncn1)N1CCCC1)[*:1]
Nc1nnc(SCC(=O)NCCc2cc(N3CCCC3)ncn2)s1 Nc1nnc(s1)[*:1] O=C(CS[*:1])NCCc1cc(ncn1)N1CCCC1
CCCc1nc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n[nH]1 CCC[*:1] CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2n[nH]c(n2)[*:1])C1
CC(C)(C)NC(=O)NCCOc1cccc(CC(N)=O)c1 CC(C)(C)[*:1] NC(=O)Cc1cccc(c1)OCCNC(=O)N[*:1]
CC(C)(C)NC(=O)NCCOc1cccc(CC(N)=O)c1 NC(=O)C[*:1] CC(C)(C)NC(=O)NCCOc1cccc(c1)[*:1]
CC(C)(C)NC(=O)NCCOc1cccc(CC(N)=O)c1 NC(=O)[*:1] CC(C)(C)NC(=O)NCCOc1cccc(c1)C[*:1]
Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H]3C[C@H]3C3CCCCC3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N[C@@H]1C[C@H]1C1CCCCC1
Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H]3C[C@H]3C3CCCCC3)c2)n[nH]1 C1CCC(CC1)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)NC(=O)C(=O)N[C@@H]1C[C@@H]1[*:1]
CC(C)c1ccc2c(c1)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CCCO2 O=[N+]([O-])[*:1] CC(C)c1ccc2OCCC[C@@H]([NH2+]CCn3cc(cn3)[*:1])c2c1
CC(C)c1ccc2c(c1)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CCCO2 CC(C)[*:1] O=[N+]([O-])c1cnn(c1)CC[NH2+][C@@H]1CCCOc2ccc(cc21)[*:1]
CC(C)c1ccc2c(c1)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CCCO2 O=[N+]([O-])c1cnn(c1)[*:1] CC(C)c1ccc2OCCC[C@@H]([NH2+]CC[*:1])c2c1
Cc1ccc(S(=O)(=O)/C=C/C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)C=C[*:1]
CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCOCC1 FC(F)(F)[*:1] CCOc1ccc(cc1NC(=O)N1CCOCC1)[*:1]
CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCOCC1 CCO[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)N1CCOCC1
Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1 FC(F)(F)[*:1] Cn1cc[nH+]c1[C@@H]1CCCN(C1)C(=O)Cn1cc(ccc1=O)[*:1]
CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1nc[nH]n1 CC[C@H](C)NC(=O)C[*:1] O=c1c2ccccc2nc(S[*:1])n1-c1nc[nH]n1
CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1nc[nH]n1 CC[C@H](C)NC(=O)[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1nc[nH]n1
CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1nc[nH]n1 CC[C@H](C)[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1nc[nH]n1)N[*:1]
NC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)CCO1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)SC(F)(F)F)N1CCO[C@@H](C1)[*:1]
NC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)CCO1 FC(F)(F)S[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)/C=C/c1ccc(cc1)[*:1]
NC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)CCO1 FC(F)(F)[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)/C=C/c1ccc(cc1)S[*:1]
CC(C)c1ccc(C[NH+](CC(=O)[O-])CC(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)c1ccc(cc1)C[NH+](CC(=O)[O-])C[*:1]
CC(C)c1ccc(C[NH+](CC(=O)[O-])CC(F)(F)F)cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)C[NH+](CC(F)(F)F)C[*:1]
CC(C)c1ccc(C[NH+](CC(=O)[O-])CC(F)(F)F)cc1 CC(C)[*:1] O=C([O-])C[NH+](Cc1ccc(cc1)[*:1])CC(F)(F)F
CC(C)c1ccc(C[NH+](CC(=O)[O-])CC(F)(F)F)cc1 FC(F)(F)C[*:1] CC(C)c1ccc(cc1)C[NH+](CC(=O)[O-])[*:1]
CN1CCO[C@H](CNc2nnc(SCC(=O)[O-])s2)C1 O=C([O-])[*:1] CN1CCO[C@H](CNc2nnc(SC[*:1])s2)C1
CN1CCO[C@H](CNc2nnc(SCC(=O)[O-])s2)C1 O=C([O-])CS[*:1] CN1CCO[C@H](CNc2nnc(s2)[*:1])C1
CN1CCO[C@H](CNc2nnc(SCC(=O)[O-])s2)C1 O=C([O-])C[*:1] CN1CCO[C@H](CNc2nnc(S[*:1])s2)C1
C[C@H](C(=O)N1CCC[C@H]1c1ccc(Cl)cc1)n1cnc2ccccc21 Clc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCC[C@@H]1[*:1])n1cnc2ccccc21
O=C(C=C1CCSCC1)OCc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(C=C1CCSCC1)OCc1coc(n1)[*:1]
O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1cccnc1 Clc1ccccc1[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1cccnc1
O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccccc1Cl
CCCc1nc(CO/N=C/c2ccc(-n3cncn3)cc2)no1 CCC[*:1] C(=N/OCc1noc(n1)[*:1])\c1ccc(cc1)-n1cncn1
CCCc1nc(CO/N=C/c2ccc(-n3cncn3)cc2)no1 c1ncn(n1)[*:1] CCCc1nc(CO/N=C/c2ccc(cc2)[*:1])no1
C[C@H]1CN(c2ccc(NC(=O)C(=O)NC3CCCCCCC3)cn2)C[C@H](C)O1 C1CCCC(CCC1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(cn1)NC(=O)C(=O)N[*:1]
Cc1ccc(C(C)(C)C(=O)N(C)CCCS(C)(=O)=O)cc1 CS(=O)(=O)CCC[*:1] Cc1ccc(cc1)C(C)(C)C(=O)N(C)[*:1]
Cc1ccc(C(C)(C)C(=O)N(C)CCCS(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] CN(CCCS(C)(=O)=O)C(=O)C(C)(C)[*:1]
Cc1ccc(C(C)(C)C(=O)N(C)CCCS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] Cc1ccc(cc1)C(C)(C)C(=O)N(C)CC[*:1]
Cc1ccc(C(C)(C)C(=O)N(C)CCCS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)C(C)(C)C(=O)N(C)CCC[*:1]
Cc1ccc(C(C)(C)C(=O)N(C)CCCS(C)(=O)=O)cc1 CS(=O)(=O)CC[*:1] Cc1ccc(cc1)C(C)(C)C(=O)N(C)C[*:1]
CCCOCC(=O)N(C)[C@H]1CCC[C@H]1S(C)(=O)=O CCCOC[*:1] CN(C(=O)[*:1])[C@H]1CCC[C@H]1S(C)(=O)=O
CCCOCC(=O)N(C)[C@H]1CCC[C@H]1S(C)(=O)=O CCC[*:1] CN(C(=O)CO[*:1])[C@H]1CCC[C@H]1S(C)(=O)=O
CCCOCC(=O)N(C)[C@H]1CCC[C@H]1S(C)(=O)=O CCCO[*:1] CN(C(=O)C[*:1])[C@H]1CCC[C@H]1S(C)(=O)=O
CCCOCC(=O)N(C)[C@H]1CCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CCCOCC(=O)N(C)[C@H]1CCC[C@@H]1[*:1]
C[C@@H](CNC(=O)N[C@H](C)c1ccncc1)C[NH+]1CCCC1 c1cc(ccn1)[*:1] C[C@@H](CNC(=O)N[C@H](C)[*:1])C[NH+]1CCCC1
COc1cn(CC(=O)Nc2cc(C)ccc2C)c(C[NH+]2CCCCC2)cc1=O Cc1ccc(C)c(c1)[*:1] COc1cn(CC(=O)N[*:1])c(cc1=O)C[NH+]1CCCCC1
CC(=O)NCC(=O)NCCOc1c(C)cccc1C CC(=O)NC[*:1] Cc1cccc(C)c1OCCNC(=O)[*:1]
CC(=O)NCC(=O)NCCOc1c(C)cccc1C CC(=O)N[*:1] Cc1cccc(C)c1OCCNC(=O)C[*:1]
CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)cc1 O=C(NC1CCCCCC1)[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1]
CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)cc1 C1CCCC(CC1)[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)cc1 CC(C)(C)C(=O)N[*:1] O=C(NC1CCCCCC1)[C@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)cc1 CC(C)(C)[*:1] O=C(NC1CCCCCC1)[C@H]1CCCN(C1)C(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(C(C)=O)c(OC(=O)c2ccccc2)c1 CC(=O)[*:1] COc1ccc(c(c1)OC(=O)c1ccccc1)[*:1]
COc1ccc(C(C)=O)c(OC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(C(C)=O)c(c1)OC(=O)[*:1]
COc1ccc(-c2c(C(F)(F)F)oc3c4c(ccc3c2=O)OCN(C[C@H]2CCCO2)C4)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1c(oc2c3CN(COc3ccc2c1=O)C[C@H]1CCCO1)[*:1]
COc1ccc(-c2c(C(F)(F)F)oc3c4c(ccc3c2=O)OCN(C[C@H]2CCCO2)C4)cc1 COc1ccc(cc1)[*:1] O=c1c(c(oc2c3CN(COc3ccc12)C[C@H]1CCCO1)C(F)(F)F)[*:1]
Clc1cnn(CC[NH+]2CCC(c3[nH+]ccn3CC3CC3)CC2)c1 C1CC1[*:1] Clc1cnn(c1)CC[NH+]1CCC(CC1)c1[nH+]ccn1C[*:1]
Clc1cnn(CC[NH+]2CCC(c3[nH+]ccn3CC3CC3)CC2)c1 Clc1cnn(c1)C[*:1] c1cn(CC2CC2)c([nH+]1)C1CC[NH+](CC1)C[*:1]
Clc1cnn(CC[NH+]2CCC(c3[nH+]ccn3CC3CC3)CC2)c1 Clc1cnn(c1)[*:1] c1cn(CC2CC2)c([nH+]1)C1CC[NH+](CC1)CC[*:1]
Clc1cnn(CC[NH+]2CCC(c3[nH+]ccn3CC3CC3)CC2)c1 C1CC1C[*:1] Clc1cnn(c1)CC[NH+]1CCC(CC1)c1[nH+]ccn1[*:1]
Cc1nonc1C(=O)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 c1ccc(cc1)C[*:1] Cc1nonc1C(=O)N1CC(=O)N(C[C@@H](C1)OCc1cccc(F)c1)C[*:1]
Cc1nonc1C(=O)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 c1ccc(cc1)[*:1] Cc1nonc1C(=O)N1CC(=O)N(CC[*:1])C[C@@H](C1)OCc1cccc(F)c1
Cc1nonc1C(=O)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 Fc1cccc(c1)C[*:1] Cc1nonc1C(=O)N1CC(=O)N(CCc2ccccc2)C[C@@H](C1)O[*:1]
Cc1nonc1C(=O)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] Cc1nonc1C(=O)N1CC(=O)N(CCc2ccccc2)C[C@@H](C1)OC[*:1]
Cc1nonc1C(=O)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 c1ccc(cc1)CC[*:1] Cc1nonc1C(=O)N1CC(=O)N(C[C@@H](C1)OCc1cccc(F)c1)[*:1]
Cc1nonc1C(=O)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 Fc1cccc(c1)CO[*:1] Cc1nonc1C(=O)N1CC(=O)N(CCc2ccccc2)C[C@H](C1)[*:1]
Cc1nonc1C(=O)N1CC(=O)N(CCc2ccccc2)C[C@H](OCc2cccc(F)c2)C1 Cc1nonc1[*:1] O=C1CN(C[C@H](CN1CCc1ccccc1)OCc1cccc(F)c1)C(=O)[*:1]
NC(=O)C[NH+]1CCC(NC(=O)CCC(=O)c2ccc(F)cc2F)CC1 NC(=O)C[*:1] O=C(CCC(=O)c1ccc(F)cc1F)NC1CC[NH+](CC1)[*:1]
NC(=O)C[NH+]1CCC(NC(=O)CCC(=O)c2ccc(F)cc2F)CC1 NC(=O)[*:1] O=C(CCC(=O)c1ccc(F)cc1F)NC1CC[NH+](CC1)C[*:1]
NC(=O)C[NH+]1CCC(NC(=O)CCC(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)CCC(=O)[*:1]
COc1ccc(/C=C(\C(=O)N2CC[NH+](C)CC2)n2ccccc2=O)cc1 O=c1ccccn1[*:1] COc1ccc(C=C(C(=O)N2CC[NH+](C)CC2)[*:1])cc1
COc1ccc(/C=C(\C(=O)N2CC[NH+](C)CC2)n2ccccc2=O)cc1 COc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(=O)C(=C[*:1])n1ccccc1=O
COc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1 COc1cccc(c1)[*:1] O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N[*:1]
CCOc1ccc(-c2nc(C)c(C(=O)Nc3nncs3)s2)cc1 CCO[*:1] Cc1nc(sc1C(=O)Nc1nncs1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(C)c(C(=O)Nc3nncs3)s2)cc1 c1nnc(s1)[*:1] CCOc1ccc(cc1)-c1nc(C)c(s1)C(=O)N[*:1]
Cc1ccc(/C=C/C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
CC(C)Cc1nc2oc3c(N(C[C@H](C)O)C[C@@H](C)O)ncnc3c2c2c1CCC2 C[C@H](O)C[*:1] CC(C)Cc1nc2oc3c(ncnc3c2c2CCCc12)N(C[C@@H](C)O)[*:1]
CC(C)Cc1nc2oc3c(N(C[C@H](C)O)C[C@@H](C)O)ncnc3c2c2c1CCC2 CC(C)[*:1] C[C@H](O)CN(C[C@@H](C)O)c1ncnc2c1oc1nc(C[*:1])c3CCCc3c12
CC(C)Cc1nc2oc3c(N(C[C@H](C)O)C[C@@H](C)O)ncnc3c2c2c1CCC2 CC(C)C[*:1] C[C@H](O)CN(C[C@@H](C)O)c1ncnc2c1oc1nc(c3CCCc3c12)[*:1]
CC(C)Cc1nc2oc3c(N(C[C@H](C)O)C[C@@H](C)O)ncnc3c2c2c1CCC2 C[C@H](O)[*:1] CC(C)Cc1nc2oc3c(ncnc3c2c2CCCc12)N(C[C@@H](C)O)C[*:1]
Cc1cnc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)s1 c1ccc(cc1)C[*:1] Cc1cnc(NC(=O)[C@H](NC(=O)[*:1])C(C)C)s1
Cc1cnc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)s1 Cc1cnc(s1)[*:1] CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N[*:1]
Cc1cnc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)s1 CC(C)[*:1] Cc1cnc(NC(=O)[C@H](NC(=O)Cc2ccccc2)[*:1])s1
Cc1cnc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)s1 c1ccc(cc1)[*:1] Cc1cnc(NC(=O)[C@H](NC(=O)C[*:1])C(C)C)s1
CC(C)CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CC(C)CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 CC(C)CNC(=O)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 CC(C)C[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2nc(N3CCCC3)sc2c1=O C1CCN(C1)[*:1] CCn1c(nc2nc(sc2c1=O)[*:1])SCC(=O)Nc1cc(C)ccc1OC
CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2nc(N3CCCC3)sc2c1=O COc1ccc(C)cc1[*:1] CCn1c(nc2nc(sc2c1=O)N1CCCC1)SCC(=O)N[*:1]
Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C CS(=O)(=O)[*:1] Cc1cc(ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C)[*:1]
Cc1cc(OCC(=O)N(C)Cc2cc(Br)cs2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])OCC(=O)N(C)Cc1cc(Br)cs1
Cc1cc(OCC(=O)N(C)Cc2cc(Br)cs2)ccc1[N+](=O)[O-] Brc1csc(c1)[*:1] Cc1cc(ccc1[N+](=O)[O-])OCC(=O)N(C)C[*:1]
Cc1cc(OCC(=O)N(C)Cc2cc(Br)cs2)ccc1[N+](=O)[O-] Brc1csc(c1)C[*:1] Cc1cc(ccc1[N+](=O)[O-])OCC(=O)N(C)[*:1]
CN1C(=O)Cc2cc(NC(=O)/C=C/c3ccco3)ccc21 C(=C[*:1])c1ccco1 CN1C(=O)Cc2cc(ccc21)NC(=O)[*:1]
CN1C(=O)Cc2cc(NC(=O)/C=C/c3ccco3)ccc21 c1coc(c1)[*:1] CN1C(=O)Cc2cc(ccc21)NC(=O)C=C[*:1]
Cc1cc(=O)c(OCC(=O)Nc2nc(-c3cccs3)cs2)co1 c1csc(c1)[*:1] Cc1cc(=O)c(co1)OCC(=O)Nc1nc(cs1)[*:1]
CCc1ccc([C@@H](C)NC(=O)CN2CCOC[C@@H]2C2CC2)cc1 C1CC1[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)CN1CCOC[C@H]1[*:1]
CCC[NH+](Cc1ccc(SC)cc1)CC1CC[NH2+]CC1 CCC[*:1] CSc1ccc(cc1)C[NH+](CC1CC[NH2+]CC1)[*:1]
CC[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)n1sc2ccccc2c1=O C1CCC(CC1)[*:1] CC[C@@H](C(=O)N1CCN(CC1)[*:1])n1sc2ccccc2c1=O
C[C@H](Cc1cccs1)N(C)Cc1ccccc1C#N c1csc(c1)[*:1] C[C@H](C[*:1])N(C)Cc1ccccc1C#N
C[C@H](Cc1cccs1)N(C)Cc1ccccc1C#N c1csc(c1)C[*:1] C[C@H](N(C)Cc1ccccc1C#N)[*:1]
C[C@H]([NH2+]Cc1ccnn1C)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H]([NH2+]Cc1ccnn1C)c1ccc(cc1)[*:1]
C[C@H]([NH2+]Cc1ccnn1C)c1ccc(-c2cncnc2)cc1 Cn1nccc1[*:1] C[C@H]([NH2+]C[*:1])c1ccc(cc1)-c1cncnc1
COc1cc(-c2cnc3ccccc3c2)cc2c1OCCN(C(=O)C[C@@H]1NC(=O)c3ccccc31)C2 c1ccc2ncc(cc2c1)[*:1] COc1cc(cc2CN(CCOc21)C(=O)C[C@@H]1NC(=O)c2ccccc21)[*:1]
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C C[S@@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
Cc1ccc(-c2nnc(NC(=O)c3ccc(Br)s3)o2)cc1C Brc1ccc(s1)[*:1] Cc1ccc(cc1C)-c1nnc(NC(=O)[*:1])o1
COc1cccc([C@@H]2CCCN2C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 CC(C)[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)N[C@H](C[NH+](C)C)C[*:1]
COc1cccc([C@@H]2CCCN2C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 CC(C)C[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)N[C@@H](C[NH+](C)C)[*:1]
COc1cccc([C@@H]2CCCN2C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 COc1cccc(c1)[*:1] CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1[*:1]
CCCCN(Cn1ncn(C(C)C)c1=S)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] CCCCN(Cn1ncn(c1=S)[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(Cn1ncn(C(C)C)c1=S)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCN(Cn1ncn(c1=S)C(C)C)[*:1]
CCCCN(Cn1ncn(C(C)C)c1=S)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] CC(C)n1cnn(CN([C@H]2CCS(=O)(=O)C2)[*:1])c1=S
CCCCN(Cn1ncn(C(C)C)c1=S)[C@H]1CCS(=O)(=O)C1 CCC[*:1] CC(C)n1cnn(CN(C[*:1])[C@H]2CCS(=O)(=O)C2)c1=S
CSCCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2cc(Cl)ccc21 CSCC[*:1] O=C(CS(=O)(=O)c1ccccc1)/N=c1\sc2cc(Cl)ccc2n1[*:1]
CSCCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2cc(Cl)ccc21 c1ccc(cc1)[*:1] CSCCn1/c(=N/C(=O)CS(=O)(=O)[*:1])sc2cc(Cl)ccc21
CSCCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2cc(Cl)ccc21 CSC[*:1] O=C(CS(=O)(=O)c1ccccc1)/N=c1\sc2cc(Cl)ccc2n1C[*:1]
CSCCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2cc(Cl)ccc21 O=S(=O)(c1ccccc1)[*:1] CSCCn1/c(=N/C(=O)C[*:1])sc2cc(Cl)ccc21
CC[C@@H](C)[C@H]([NH3+])C(=O)N(CCC(C)C)C1CCCC1 CC(C)CC[*:1] CC[C@@H](C)[C@H]([NH3+])C(=O)N(C1CCCC1)[*:1]
CC[C@@H](C)[C@H]([NH3+])C(=O)N(CCC(C)C)C1CCCC1 CC(C)C[*:1] CC[C@@H](C)[C@H]([NH3+])C(=O)N(C[*:1])C1CCCC1
CC[C@@H](C)[C@H]([NH3+])C(=O)N(CCC(C)C)C1CCCC1 C1CCC(C1)[*:1] CC[C@@H](C)[C@H]([NH3+])C(=O)N(CCC(C)C)[*:1]
CC[C@@H](C)[C@H]([NH3+])C(=O)N(CCC(C)C)C1CCCC1 CC[C@@H](C)[*:1] CC(C)CCN(C(=O)[C@@H]([NH3+])[*:1])C1CCCC1
CC[C@@H](C)[C@H]([NH3+])C(=O)N(CCC(C)C)C1CCCC1 CC(C)[*:1] CC[C@@H](C)[C@H]([NH3+])C(=O)N(CC[*:1])C1CCCC1
O=C1CN(S(=O)(=O)CC2CCC2)[C@@H]2CCCC[C@@H]2N1 C1CC(C1)[*:1] O=C1CN([C@@H]2CCCC[C@@H]2N1)S(=O)(=O)C[*:1]
O=C1CN(S(=O)(=O)CC2CCC2)[C@@H]2CCCC[C@@H]2N1 C1CC(C1)C[*:1] O=C1CN([C@@H]2CCCC[C@@H]2N1)S(=O)(=O)[*:1]
O=C(CCc1ccccc1)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(CCc1ccccc1)NC[C@H]1CCCN(C1)[*:1]
O=C(CCc1ccccc1)NC[C@H]1CCCN(c2ncccn2)C1 c1ccc(cc1)[*:1] O=C(CC[*:1])NC[C@H]1CCCN(C1)c1ncccn1
O=C(CCc1ccccc1)NC[C@H]1CCCN(c2ncccn2)C1 c1ccc(cc1)C[*:1] O=C(C[*:1])NC[C@H]1CCCN(C1)c1ncccn1
O=C(CCc1ccccc1)NC[C@H]1CCCN(c2ncccn2)C1 c1ccc(cc1)CC[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)([N-]c1ccc(F)cc1)c1cc(ccc1Cl)[*:1]
O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCOCC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(Cl)c(c1)S(=O)(=O)[N-][*:1])N1CCOCC1
N#Cc1ccc(-c2ccccc2C(F)(F)F)cc1O FC(F)(F)[*:1] N#Cc1ccc(cc1O)-c1ccccc1[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)NCc3nc(C)c(C)o3)C2)c1 Cc1nc(oc1C)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)NC[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)NCc3nc(C)c(C)o3)C2)c1 CCOC(=O)[*:1] Cc1nc(CNC(=O)N2CCC[C@H](C2)n2cc(cn2)[*:1])oc1C
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)NCc3nc(C)c(C)o3)C2)c1 Cc1nc(C[*:1])oc1C CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)N[*:1]
CCS[C@H](C(=O)N[C@@H]1C[C@@H]1C)C(C)C C[C@H]1C[C@H]1[*:1] CCS[C@H](C(=O)N[*:1])C(C)C
CCS[C@H](C(=O)N[C@@H]1C[C@@H]1C)C(C)C CC(C)[*:1] CCS[C@H](C(=O)N[C@@H]1C[C@@H]1C)[*:1]
CCS[C@H](C(=O)N[C@@H]1C[C@@H]1C)C(C)C CCS[*:1] CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]1C)[*:1]
O=C1NCCCC[C@H]1N[C@H]1CC(=O)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C1NCCCC[C@H]1N[C@H]1CC(=O)N(C1=O)[*:1]
N#Cc1ccc(F)c(CN(CCc2ccccc2)[C@H]2CCOC2)c1 c1ccc(cc1)CC[*:1] N#Cc1ccc(F)c(c1)CN([C@H]1CCOC1)[*:1]
N#Cc1ccc(F)c(CN(CCc2ccccc2)[C@H]2CCOC2)c1 c1ccc(cc1)[*:1] N#Cc1ccc(F)c(c1)CN(CC[*:1])[C@H]1CCOC1
N#Cc1ccc(F)c(CN(CCc2ccccc2)[C@H]2CCOC2)c1 c1ccc(cc1)C[*:1] N#Cc1ccc(F)c(c1)CN(C[*:1])[C@H]1CCOC1
Cn1cc(S(=O)(=O)NNC(=O)c2ccc(F)cc2Br)cn1 Cn1cc(cn1)[*:1] O=C(NNS(=O)(=O)[*:1])c1ccc(F)cc1Br
Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(c4nc5cc6c(cc5nc42)OCO6)C3(C)C)n1 Cc1cccc(n1)[*:1] CC1(C)[C@@]2(C)CC[C@]1(C(=O)N[*:1])c1nc3cc4OCOc4cc3nc12
Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(c4nc5cc6c(cc5nc42)OCO6)C3(C)C)n1 Cc1cccc(n1)NC(=O)[*:1] CC1(C)[C@@]2(C)CC[C@]1(c1nc3cc4OCOc4cc3nc12)[*:1]
CCCCCNC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 CCC[*:1] O=C(NCC[*:1])N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
CCCCCNC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] CCCCCNC(=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
CCCCCNC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 CCCCC[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
CCCCCNC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 CCCC[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
CN1C[C@H](c2ccccc2F)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 Fc1ccccc1[*:1] CN1C[C@H]([C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)CCc1c(C)noc1Cl c1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)CCc1c(C)noc1Cl
CC[C@H](Cc1ccccc1)NC(=O)CCc1c(C)noc1Cl Cc1noc(Cl)c1[*:1] CC[C@H](Cc1ccccc1)NC(=O)CC[*:1]
CC[C@H](Cc1ccccc1)NC(=O)CCc1c(C)noc1Cl c1ccc(cc1)C[*:1] CC[C@H](NC(=O)CCc1c(C)noc1Cl)[*:1]
C#CCCCCNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 C#CCCC[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)NC[*:1]
C#CCCCCNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 C#CCCCC[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)N[*:1]
C#CCCCCNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 C#CC[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)NCCC[*:1]
C#CCCCCNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 C#CCC[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)NCC[*:1]
CC[C@](C[NH3+])(Cc1nc(C)c(C)s1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@](C[NH3+])(Cc1nc(C)c(C)s1)[*:1]
CC[C@H](CSC)N(C)Cn1nc(SC)sc1=S CSC[*:1] CC[C@H](N(C)Cn1nc(SC)sc1=S)[*:1]
CC[C@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)/C=C/c1ccc(cc1)C(N)=O)[*:1]
CC[C@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)c1nc(C)cs1 NC(=O)[*:1] CC[C@H](NC(=O)/C=C/c1ccc(cc1)[*:1])c1nc(C)cs1
CC[C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)n1cccn1 c1cnn(c1)[*:1] CC[C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)[*:1]
CC[C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)n1cccn1 c1cc(ccn1)C[*:1] CC[C@@H](C(=O)N1CCC2(CCC(=O)N(C2)[*:1])CC1)n1cccn1
CC[C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)n1cccn1 c1cc(ccn1)[*:1] CC[C@@H](C(=O)N1CCC2(CCC(=O)N(C2)C[*:1])CC1)n1cccn1
Cc1cc(C)cc(OCCC#N)c1 N#CCC[*:1] Cc1cc(C)cc(c1)O[*:1]
Cc1cc(C)cc(OCCC#N)c1 N#CC[*:1] Cc1cc(C)cc(c1)OC[*:1]
O[C@H](C[NH2+]C[C@H]1COc2ccccc21)C1CC1 O[C@H](C1CC1)[*:1] c1ccc2c(c1)OC[C@@H]2C[NH2+]C[*:1]
O[C@H](C[NH2+]C[C@H]1COc2ccccc21)C1CC1 C1CC1[*:1] O[C@H](C[NH2+]C[C@H]1COc2ccccc21)[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)NC[C@H]1Cc2ccccc2O1 CC(C)S(=O)(=O)[*:1] O=C(NC[C@H]1Cc2ccccc2O1)c1ccccc1[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)NC[C@H]1Cc2ccccc2O1 CC(C)[*:1] O=C(NC[C@H]1Cc2ccccc2O1)c1ccccc1S(=O)(=O)[*:1]
CCC(CC)N1C[C@@H](CC(C)C)[NH2+]C[C@H]1[C@@H](C)CC CC[C@H](C)[*:1] CCC(CC)N1C[C@@H](CC(C)C)[NH2+]C[C@@H]1[*:1]
CCC(CC)N1C[C@@H](CC(C)C)[NH2+]C[C@H]1[C@@H](C)CC CC(C)[*:1] CCC(CC)N1C[C@@H](C[*:1])[NH2+]C[C@H]1[C@@H](C)CC
CCC(CC)N1C[C@@H](CC(C)C)[NH2+]C[C@H]1[C@@H](C)CC CCC(CC)[*:1] CC[C@H](C)[C@@H]1C[NH2+][C@H](CC(C)C)CN1[*:1]
CCC(CC)N1C[C@@H](CC(C)C)[NH2+]C[C@H]1[C@@H](C)CC CC(C)C[*:1] CCC(CC)N1C[C@@H]([NH2+]C[C@H]1[C@@H](C)CC)[*:1]
COC(=O)C1(N(C)C(=O)Cc2coc(-c3cccs3)n2)CCCCC1 c1csc(c1)[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)Cc1coc(n1)[*:1]
COC(=O)C1(N(C)C(=O)Cc2coc(-c3cccs3)n2)CCCCC1 COC(=O)[*:1] CN(C(=O)Cc1coc(n1)-c1cccs1)C1(CCCCC1)[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)CSc1ccc(cc1[*:1])C(N)=O
C[C@H]1CC[C@@H](C)CN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] NC(=O)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)CSc1ccc(cc1[N+](=O)[O-])[*:1]
COc1ccc2c(c1)CCN(S(=O)(=O)CCNC(=O)c1nc3ccccc3s1)C2 c1ccc2sc(nc2c1)[*:1] COc1ccc2CN(CCc2c1)S(=O)(=O)CCNC(=O)[*:1]
CCC[C@@H](COC)NC(=O)c1csc(I)c1 CCC[*:1] COC[C@@H](NC(=O)c1csc(I)c1)[*:1]
CCC[C@@H](COC)NC(=O)c1csc(I)c1 COC[*:1] CCC[C@@H](NC(=O)c1csc(I)c1)[*:1]
CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)[C@@H]1CCCN(C1)C(N)=O)[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1[*:1] N#Cc1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)C=C[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 N#Cc1ccccc1[*:1] O=C(/C=C/c1c(Cl)cccc1Cl)N1CCN(CC1)S(=O)(=O)[*:1]
CCC[NH+](CC)Cc1nc2c(N)cccc2o1 CCC[*:1] CC[NH+](Cc1nc2c(N)cccc2o1)[*:1]
CC(C)NC(=O)NC(=O)CSc1ccc(N)nc1 CC(C)[*:1] Nc1ccc(cn1)SCC(=O)NC(=O)N[*:1]
O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1cccc(Cl)c1 Fc1ccc(cc1)[*:1] O=C(CSc1ncnc2c1cnn2[*:1])Nc1cccc(Cl)c1
O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)N[*:1]
Cc1ccc([C@H](C)[NH2+]Cc2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)[NH2+]C[*:1]
Cc1ccc([C@H](C)[NH2+]Cc2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@H](C)[NH2+]Cc1ccccc1
CCN(CC)C(=O)COc1ccc(NC(=O)Nc2cc(C)nn2C)cc1Cl CCN(CC)C(=O)CO[*:1] Cc1cc(NC(=O)Nc2ccc(c(Cl)c2)[*:1])n(C)n1
CCN(CC)C(=O)COc1ccc(NC(=O)Nc2cc(C)nn2C)cc1Cl CCN(CC)C(=O)C[*:1] Cc1cc(NC(=O)Nc2ccc(O[*:1])c(Cl)c2)n(C)n1
CCN(CC)C(=O)COc1ccc(NC(=O)Nc2cc(C)nn2C)cc1Cl Cc1cc(n(C)n1)[*:1] CCN(CC)C(=O)COc1ccc(cc1Cl)NC(=O)N[*:1]
CCN(CC)C(=O)COc1ccc(NC(=O)Nc2cc(C)nn2C)cc1Cl CCN(CC)C(=O)[*:1] Cc1cc(NC(=O)Nc2ccc(OC[*:1])c(Cl)c2)n(C)n1
Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)NC(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)N[*:1]
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)[C@@H]1CC=CC[C@@H]1[*:1]
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCC([NH2+][C@@H]2CCCCC[C@@H]2CO)CC1 Clc1ccc(cc1)[*:1] O=C(N1CCC(CC1)[NH2+][C@@H]1CCCCC[C@@H]1CO)[*:1]
CN(CC(C)(C)O)C(=O)/C=C/c1ccnc(Cl)c1 CC(C)(O)[*:1] CN(C[*:1])C(=O)/C=C/c1ccnc(Cl)c1
CN(CC(C)(C)O)C(=O)/C=C/c1ccnc(Cl)c1 CC(C)(O)C[*:1] CN(C(=O)/C=C/c1ccnc(Cl)c1)[*:1]
COC(=O)c1cncc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 COC(=O)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1cncc(c1)[*:1]
CCOC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1cnccn1 c1cnc(cn1)[*:1] CCOC(=O)[C@@]1([NH3+])CCC[C@H]1CCS[*:1]
CCOC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1cnccn1 CCOC(=O)[*:1] [NH3+][C@]1(CCC[C@H]1CCSc1cnccn1)[*:1]
CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3C(=O)N(C)C)cc2)CC1 CN(C)C(=O)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
C[C@]1(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1(Cl)Cl c1ccc(cc1)[*:1] C[C@]1(CN2C(=O)NC(C2=O)(c2ccccc2)[*:1])CC1(Cl)Cl
Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N[C@@H]4C[C@@H](C)CC(C)(C)C4)c3)n2)o1 CC(C)C[*:1] Cc1nnc(o1)-c1cc(n(n1)-c1cccc(c1)C(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1)[*:1]
Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N[C@@H]4C[C@@H](C)CC(C)(C)C4)c3)n2)o1 CC(C)[*:1] Cc1nnc(o1)-c1cc(C[*:1])n(n1)-c1cccc(c1)C(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1
Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N[C@@H]4C[C@@H](C)CC(C)(C)C4)c3)n2)o1 Cc1nnc(o1)[*:1] CC(C)Cc1cc(nn1-c1cccc(c1)C(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1)[*:1]
COc1ccccc1C[NH+](C)CC(=O)Nc1oc(C)c2c(C)n[nH]c(=O)c12 COc1ccccc1[*:1] Cc1n[nH]c(=O)c2c(NC(=O)C[NH+](C)C[*:1])oc(C)c12
COc1ccccc1C[NH+](C)CC(=O)Nc1oc(C)c2c(C)n[nH]c(=O)c12 COc1ccccc1C[*:1] Cc1n[nH]c(=O)c2c(NC(=O)C[NH+](C)[*:1])oc(C)c12
CCC[C@@H](NC(=O)c1ccn2cncc2c1)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)c1ccn2cncc2c1)[*:1]
CCC[C@@H](NC(=O)c1ccn2cncc2c1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)c1ccn2cncc2c1)[*:1]
C[C@@H]([NH3+])[C@H]1CCCCN1c1ccc(C(=O)N(C)C)nn1 CN(C)C(=O)[*:1] C[C@@H]([NH3+])[C@H]1CCCCN1c1ccc(nn1)[*:1]
CCOC(=O)[C@@H](CC)Sc1ccc2nnc(-c3ccccc3F)n2n1 CCOC(=O)[*:1] CC[C@@H](Sc1ccc2nnc(-c3ccccc3F)n2n1)[*:1]
CCOC(=O)[C@@H](CC)Sc1ccc2nnc(-c3ccccc3F)n2n1 Fc1ccccc1[*:1] CCOC(=O)[C@@H](CC)Sc1ccc2nnc(n2n1)[*:1]
O=C(NC[C@](O)(c1cccs1)C(F)(F)F)c1cc(Cl)ccc1Cl FC(F)(F)[*:1] O=C(NC[C@](O)(c1cccs1)[*:1])c1cc(Cl)ccc1Cl
O=C(NC[C@](O)(c1cccs1)C(F)(F)F)c1cc(Cl)ccc1Cl c1csc(c1)[*:1] O=C(NC[C@](O)(C(F)(F)F)[*:1])c1cc(Cl)ccc1Cl
CC(C)N1CCO[C@@H](c2noc([C@]3(C)COC[C@@H]3[NH3+])n2)C1 CC(C)[*:1] C[C@]1(COC[C@@H]1[NH3+])c1nc(no1)[C@H]1CN(CCO1)[*:1]
COC(=O)c1oc(CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1C Cc1occc1[*:1] COC(=O)c1oc(cc1C)CSc1nnc(n1-c1ccccc1)[*:1]
COC(=O)c1oc(CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1C c1ccc(cc1)[*:1] COC(=O)c1oc(cc1C)CSc1nnc(-c2ccoc2C)n1[*:1]
COC(=O)c1oc(CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1C COC(=O)[*:1] Cc1cc(CSc2nnc(-c3ccoc3C)n2-c2ccccc2)oc1[*:1]
CC[C@H](C)Sc1ccc(NC(=O)N(C)CC[NH+](C)C)c(C)c1 CC[C@H](C)S[*:1] Cc1cc(ccc1NC(=O)N(C)CC[NH+](C)C)[*:1]
CC[C@H](C)Sc1ccc(NC(=O)N(C)CC[NH+](C)C)c(C)c1 CC[C@H](C)[*:1] Cc1cc(ccc1NC(=O)N(C)CC[NH+](C)C)S[*:1]
CN(Cc1ncnn1C)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1C[*:1] CN(Cc1ncnn1C)C(=O)N[C@@H](c1ccccc1)[*:1]
CN(Cc1ncnn1C)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ncnn1C)C(=O)N[C@@H](CN1CCCC1=O)[*:1]
CN(Cc1ncnn1C)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 Cn1ncnc1C[*:1] CN(C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)[*:1]
CN(Cc1ncnn1C)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 Cn1ncnc1[*:1] CN(C[*:1])C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1
CN(Cc1ncnn1C)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1[*:1] CN(Cc1ncnn1C)C(=O)N[C@@H](C[*:1])c1ccccc1
Cc1cnc(C(C)(C)NC(=O)N[C@H](C)c2ccc(F)c(F)c2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)NC(C)(C)[*:1])c1ccc(F)c(F)c1
COCCOc1ccccc1C(=O)N1CCN(C[C@@H](C)O)CC1 COCC[*:1] C[C@@H](O)CN1CCN(CC1)C(=O)c1ccccc1O[*:1]
COCCOc1ccccc1C(=O)N1CCN(C[C@@H](C)O)CC1 COC[*:1] C[C@@H](O)CN1CCN(CC1)C(=O)c1ccccc1OC[*:1]
COCCOc1ccccc1C(=O)N1CCN(C[C@@H](C)O)CC1 COCCO[*:1] C[C@@H](O)CN1CCN(CC1)C(=O)c1ccccc1[*:1]
COCCOc1ccccc1C(=O)N1CCN(C[C@@H](C)O)CC1 C[C@@H](O)[*:1] COCCOc1ccccc1C(=O)N1CCN(CC1)C[*:1]
COCCOc1ccccc1C(=O)N1CCN(C[C@@H](C)O)CC1 C[C@@H](O)C[*:1] COCCOc1ccccc1C(=O)N1CCN(CC1)[*:1]
CC[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(OC)c(OC)c1 c1cnnc(c1)[*:1] CC[C@H]([NH2+][C@@H]1CCCN(C1)[*:1])c1ccc(OC)c(c1)OC
CC(C)NC(=O)NNS(=O)(=O)c1cccc(Br)c1 CC(C)[*:1] O=C(NNS(=O)(=O)c1cccc(Br)c1)N[*:1]
COc1cc(CCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)on1 COc1cc(C[*:1])on1 O=C(C[*:1])Nc1nc(cs1)-c1ccc2OCOc2c1
COc1cc(CCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)on1 COc1cc(on1)[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1ccc2OCOc2c1
O=C(Nc1ccon1)c1cc2occc2n1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccon1)c1cc2occc2n1[*:1]
O=C(Nc1ccon1)c1cc2occc2n1Cc1ccc(F)cc1 c1cc(no1)[*:1] O=C(N[*:1])c1cc2occc2n1Cc1ccc(F)cc1
O=C(Nc1ccon1)c1cc2occc2n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccon1)c1cc2occc2n1C[*:1]
O=C(Nc1ccon1)c1cc2occc2n1Cc1ccc(F)cc1 O=C(Nc1ccon1)[*:1] Fc1ccc(cc1)Cn1c(cc2occc21)[*:1]
O=C(Nc1ccc(F)cc1Cl)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 Fc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])c1cc2CS(=O)(=O)c3ccccc3-c2s1
Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1[N-]S(=O)(=O)C=C[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)/C=C/c1ccccc1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1[N-]S(=O)(=O)/C=C/c1ccccc1)[*:1]
Cc1noc(C)c1C(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 Cc1noc(C)c1[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1CCCn1cc[nH+]c1
CCOc1ccccc1CCC(=O)NCC(C)C CC(C)[*:1] CCOc1ccccc1CCC(=O)NC[*:1]
CCOc1ccccc1CCC(=O)NCC(C)C CCO[*:1] CC(C)CNC(=O)CCc1ccccc1[*:1]
CCOc1ccccc1CCC(=O)NCC(C)C CC(C)C[*:1] CCOc1ccccc1CCC(=O)N[*:1]
CCOC(=O)/C(C#N)=C(\C)N(C)/N=C/c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)/C(C#N)=C(\C)N(C)N=C[*:1]
CCOC(=O)/C(C#N)=C(\C)N(C)/N=C/c1ccccc1 CCOC(=O)[*:1] CC(=C(C#N)[*:1])N(C)/N=C/c1ccccc1
CCc1nc2c(N3CC[C@H](n4nc(C)cc4C)C3)ncnc2o1 Cc1cc(C)n(n1)[*:1] CCc1nc2c(ncnc2o1)N1CC[C@H](C1)[*:1]
Cc1cc(Br)ccc1NC(=O)N[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] Cc1cc(Br)ccc1NC(=O)N[*:1]
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=S)NCc1ccccc1 COC(=O)[*:1] S=C(NCc1ccccc1)Nc1c([nH]c2ccc(Br)cc12)[*:1]
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=S)NCc1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=S)NC[*:1]
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=S)NCc1ccccc1 c1ccc(cc1)C[*:1] COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=S)N[*:1]
C[C@@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C[C@@H]1O O=C(N1CCCC1)[*:1] C[C@@H]1CCN(C[C@@H]1O)S(=O)(=O)c1c[nH]c(c1)[*:1]
O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1 c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1nc(cs1)CC(=O)N1CCN(CC1)C(=O)[C@@H]1CCCO1
O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1 C(=C[*:1])c1ccccc1 O=C(Cc1csc(n1)NC(=O)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
CCC[NH+]1CCC(Nc2cc(-c3ccccc3)nc3ncnn23)CC1 CCC[*:1] c1ccc(cc1)-c1cc(NC2CC[NH+](CC2)[*:1])n2ncnc2n1
CCC[NH+]1CCC(Nc2cc(-c3ccccc3)nc3ncnn23)CC1 c1ccc(cc1)[*:1] CCC[NH+]1CCC(CC1)Nc1cc(nc2ncnn12)[*:1]
O=C(Nc1nc(-c2cccnc2)cs1)N1CCC[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1nc(cs1)-c1cccnc1)N1CCC[C@@H]1[*:1]
O=C(Nc1nc(-c2cccnc2)cs1)N1CCC[C@H]1C1CCCCC1 c1cncc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])N1CCC[C@H]1C1CCCCC1
Cn1cc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(C(=O)N2CCN(CC2)CC(=O)N2CCCC2)c(n1)[*:1]
Cn1cc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(-c2cccs2)n1 O=C(C[*:1])N1CCCC1 Cn1cc(C(=O)N2CCN(CC2)[*:1])c(n1)-c1cccs1
Cn1cc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(-c2cccs2)n1 O=C(N1CCCC1)[*:1] Cn1cc(C(=O)N2CCN(CC2)C[*:1])c(n1)-c1cccs1
O=C([O-])c1nnn(-c2cccc(C(F)(F)F)c2)c1[C@@H]1COc2ccccc2O1 O=C([O-])[*:1] FC(F)(F)c1cccc(c1)-n1nnc(c1[C@@H]1COc2ccccc2O1)[*:1]
O=C([O-])c1nnn(-c2cccc(C(F)(F)F)c2)c1[C@@H]1COc2ccccc2O1 FC(F)(F)[*:1] O=C([O-])c1nnn(-c2cccc(c2)[*:1])c1[C@@H]1COc2ccccc2O1
CCOCCN(C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 CCOC[*:1] CC(C)n1cc2cc(ccc2n1)NC(=O)N(C)C[*:1]
CCOCCN(C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 CCOCC[*:1] CC(C)n1cc2cc(ccc2n1)NC(=O)N(C)[*:1]
CCOCCN(C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 CC(C)[*:1] CCOCCN(C)C(=O)Nc1ccc2nn(cc2c1)[*:1]
CCOCCN(C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 CCO[*:1] CC(C)n1cc2cc(ccc2n1)NC(=O)N(C)CC[*:1]
O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(O)(C(F)(F)F)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(o1)[*:1])N1CCC(O)(CC1)C(F)(F)F
O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccc(o1)-c1ccc(F)cc1)N1CCC(O)(CC1)[*:1]
CC(C)(C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 CC(C)(C)[*:1] O=[N+]([O-])c1cc(ccc1Br)C[NH2+][*:1]
CC(C)(C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)(C)[NH2+]Cc1ccc(Br)c(c1)[*:1]
CC1(C)CCC[C@@H]1NC(=O)N1CCC(NC(=O)CC2CCCC2)CC1 C1CCC(C1)[*:1] CC1(C)CCC[C@@H]1NC(=O)N1CCC(CC1)NC(=O)C[*:1]
CC1(C)CCC[C@@H]1NC(=O)N1CCC(NC(=O)CC2CCCC2)CC1 C1CCC(C1)C[*:1] CC1(C)CCC[C@@H]1NC(=O)N1CCC(CC1)NC(=O)[*:1]
C#CC(CC)(CC)[NH2+]/C=C(/[N+](=O)[O-])S(=O)(=O)c1ccc(Br)cc1 O=[N+]([O-])[*:1] C#CC(CC)(CC)[NH2+]/C=C(\S(=O)(=O)c1ccc(Br)cc1)[*:1]
C#CC(CC)(CC)[NH2+]/C=C(/[N+](=O)[O-])S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C#CC(CC)(CC)[NH2+]/C=C(/[N+](=O)[O-])S(=O)(=O)[*:1]
CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1Cl CC(=O)[*:1] CC1Nc2ncnn2[C@@H](C=1[*:1])c1ccccc1OCc1ccc(Cl)cc1Cl
CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OC[*:1]
CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1Cl Clc1ccc(C[*:1])c(Cl)c1 CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1O[*:1]
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H](OCc3ccccc3)OC[C@@H](O)[C@H]2O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@H](OC[C@@H](O)[C@H]1O)OC[*:1]
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H](OCc3ccccc3)OC[C@@H](O)[C@H]2O)cc1 c1ccc(cc1)CO[*:1] Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@@H](OC[C@@H](O)[C@H]1O)[*:1]
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H](OCc3ccccc3)OC[C@@H](O)[C@H]2O)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(O[C@@H]1[C@@H](OCc2ccccc2)OC[C@@H](O)[C@H]1O)[*:1]
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H](OCc3ccccc3)OC[C@@H](O)[C@H]2O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@H](OC[C@@H](O)[C@H]1O)O[*:1]
COC(=O)c1c(C)[nH]c(C(=O)NC2=NCCS2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)NC2=NCCS2)c(C)c1[*:1]
CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(-c3ccncc3)n1C)C2=O c1cc(ccn1)[*:1] CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(n1C)[*:1])C2=O
CCCCn1ncc(C)c1NC(=O)[C@@H]1CC(C(C)C)=NO1 CCC[*:1] Cc1cnn(C[*:1])c1NC(=O)[C@@H]1CC(=NO1)C(C)C
CCCCn1ncc(C)c1NC(=O)[C@@H]1CC(C(C)C)=NO1 CCCC[*:1] Cc1cnn(c1NC(=O)[C@@H]1CC(=NO1)C(C)C)[*:1]
CCCCn1ncc(C)c1NC(=O)[C@@H]1CC(C(C)C)=NO1 CC(C)[*:1] CCCCn1ncc(C)c1NC(=O)[C@@H]1CC(=NO1)[*:1]
CCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)cc1OC CCC[*:1] COc1cc(ccc1OC[*:1])[C@@H]1Nc2ccccc2C(=O)N1C
CCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)cc1OC CCCC[*:1] COc1cc(ccc1O[*:1])[C@@H]1Nc2ccccc2C(=O)N1C
CCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)cc1OC CCCCO[*:1] COc1cc(ccc1[*:1])[C@@H]1Nc2ccccc2C(=O)N1C
O=C(Nc1cc(Cl)ccc1N1CCCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C1CCN(C1)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
O=C(Nc1cc(Cl)ccc1N1CCCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(Nc1cc(Cl)ccc1N1CCCC1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1cc(Cl)ccc1N1CCCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cc(Cl)ccc1N1CCCC1)C1CCN(CC1)S(=O)(=O)C=C[*:1]
Cc1ccsc1/C=C/C(=O)NC[C@H](CC(C)C)C(=O)[O-] CC(C)C[*:1] Cc1ccsc1/C=C/C(=O)NC[C@H](C(=O)[O-])[*:1]
Cc1ccsc1/C=C/C(=O)NC[C@H](CC(C)C)C(=O)[O-] O=C([O-])[*:1] Cc1ccsc1/C=C/C(=O)NC[C@H](CC(C)C)[*:1]
Cc1ccsc1/C=C/C(=O)NC[C@H](CC(C)C)C(=O)[O-] CC(C)[*:1] Cc1ccsc1/C=C/C(=O)NC[C@H](C[*:1])C(=O)[O-]
Cc1ccsc1/C=C/C(=O)NC[C@H](CC(C)C)C(=O)[O-] Cc1ccsc1[*:1] CC(C)C[C@@H](CNC(=O)C=C[*:1])C(=O)[O-]
COc1cc(NC(=O)CNC(=O)c2ccccc2Cl)c(OC)cc1Cl Clc1ccccc1[*:1] COc1cc(NC(=O)CNC(=O)[*:1])c(cc1Cl)OC
COc1cccc(COc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 COc1cccc(c1)[*:1] Cn1c(=O)c2c(nc(OC[*:1])n2C)n(C)c1=O
CCC[NH2+][C@H]1CCOC[C@@H]1SC[C@@H](C)CO C[C@@H](CO)[*:1] CCC[NH2+][C@H]1CCOC[C@@H]1SC[*:1]
CCC[NH2+][C@H]1CCOC[C@@H]1SC[C@@H](C)CO CCC[*:1] C[C@@H](CO)CS[C@H]1COCC[C@@H]1[NH2+][*:1]
CCC[NH2+][C@H]1CCOC[C@@H]1SC[C@@H](C)CO C[C@@H](CO)C[*:1] CCC[NH2+][C@H]1CCOC[C@@H]1S[*:1]
Cc1oc2ncn3nc([C@@H](NC(=O)c4cscn4)C(C)C)nc3c2c1C c1nc(cs1)[*:1] Cc1oc2ncn3nc(nc3c2c1C)[C@@H](NC(=O)[*:1])C(C)C
Cc1oc2ncn3nc([C@@H](NC(=O)c4cscn4)C(C)C)nc3c2c1C CC(C)[*:1] Cc1oc2ncn3nc(nc3c2c1C)[C@@H](NC(=O)c1cscn1)[*:1]
Cc1oc2ncn3nc([C@@H](NC(=O)c4cscn4)C(C)C)nc3c2c1C O=C(N[*:1])c1cscn1 Cc1oc2ncn3nc(nc3c2c1C)[C@@H](C(C)C)[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])c1ccc2OCCOc2c1
FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 Clc1ccc(s1)[*:1] FC(F)(F)CO[C@H]1CCC[C@H](C1)[NH2+]C[*:1]
FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 FC(F)(F)[*:1] Clc1ccc(C[NH2+][C@@H]2CCC[C@@H](C2)OC[*:1])s1
FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 FC(F)(F)C[*:1] Clc1ccc(C[NH2+][C@@H]2CCC[C@@H](C2)O[*:1])s1
FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 FC(F)(F)CO[*:1] Clc1ccc(C[NH2+][C@@H]2CCC[C@@H](C2)[*:1])s1
c1csc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 c1csc(c1)[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCC[C@H]1NC[*:1]
O=C([O-])c1cccn(CC[NH+]2CCCC2)c1=O O=C([O-])[*:1] O=c1c(cccn1CC[NH+]1CCCC1)[*:1]
O=C(C1CCC1)N1CCC2(CC1)Nc1cccnc1-n1cccc12 C1CC(C1)[*:1] O=C(N1CCC2(CC1)Nc1cccnc1-n1cccc12)[*:1]
CC[NH2+][C@H](c1ccc(Cl)cc1F)[C@H](C)CC CC[C@@H](C)[*:1] CC[NH2+][C@H](c1ccc(Cl)cc1F)[*:1]
CO[C@H]1CCCN(C(=O)N[C@@H](C)CCCC(C)C)C1 CC(C)CC[*:1] CO[C@H]1CCCN(C1)C(=O)N[C@@H](C)C[*:1]
CO[C@H]1CCCN(C(=O)N[C@@H](C)CCCC(C)C)C1 CC(C)C[*:1] CO[C@H]1CCCN(C1)C(=O)N[C@@H](C)CC[*:1]
CO[C@H]1CCCN(C(=O)N[C@@H](C)CCCC(C)C)C1 CC(C)CCC[*:1] CO[C@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
CO[C@H]1CCCN(C(=O)N[C@@H](C)CCCC(C)C)C1 CC(C)[*:1] CO[C@H]1CCCN(C1)C(=O)N[C@@H](C)CCC[*:1]
Cc1ccc2cccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2n1 c1coc(c1)[*:1] Cc1ccc2cccc(C(=O)N3CCN(CC3)C(=O)[*:1])c2n1
CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccn(n1)[*:1]
CC(C)(O)CCS(=O)(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 CC(C)(O)C[*:1] O=S(=O)(Cc1ccc(cc1)S(=O)(=O)C(F)F)C[*:1]
CC(C)(O)CCS(=O)(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] CC(C)(O)CCS(=O)(=O)Cc1ccc(cc1)[*:1]
CC(C)(O)CCS(=O)(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] CC(C)(O)CCS(=O)(=O)Cc1ccc(cc1)S(=O)(=O)[*:1]
CC(C)(O)CCS(=O)(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 CC(C)(O)CC[*:1] O=S(=O)(c1ccc(cc1)CS(=O)(=O)[*:1])C(F)F
CC(C)(O)CCS(=O)(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 CC(C)(O)[*:1] O=S(=O)(CC[*:1])Cc1ccc(cc1)S(=O)(=O)C(F)F
CC(C)[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)c2ccccc2N1 CC(C)[*:1] Cn1ccc(cc1=O)C(=O)N1C[C@@H](Nc2ccccc21)[*:1]
CS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(F)cc3s2)cc1 C1CN(CCO1)CC[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N(c1nc2ccc(F)cc2s1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(F)cc3s2)cc1 C1CN(CCO1)C[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N(C[*:1])c1nc2ccc(F)cc2s1
CS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(F)cc3s2)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=C(N(CCN1CCOCC1)c1nc2ccc(F)cc2s1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(F)cc3s2)cc1 Fc1ccc2nc(sc2c1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N(CCN1CCOCC1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(F)cc3s2)cc1 C1CN(CCO1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N(CC[*:1])c1nc2ccc(F)cc2s1
CS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccc(F)cc3s2)cc1 CS(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(CCN1CCOCC1)c1nc2ccc(F)cc2s1
O=C(NCc1cn2ccsc2n1)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 c1cn2cc(C[*:1])nc2s1 O=C(N[*:1])c1cc(COc2ccc3OCOc3c2)[nH]n1
O=C(NCc1cn2ccsc2n1)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 c1cc2OCOc2cc1[*:1] O=C(NCc1cn2ccsc2n1)c1cc(CO[*:1])[nH]n1
O=C(NCc1cn2ccsc2n1)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 c1cn2cc(nc2s1)[*:1] O=C(NC[*:1])c1cc(COc2ccc3OCOc3c2)[nH]n1
CCc1[nH+]ccn1CC1CC[NH+](C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] CCc1[nH+]ccn1CC1CC[NH+](CC=C[*:1])CC1
O=C(CC1=c2ccccc2=[NH+]C1)NCCCOC1CCCCC1 C1CCC(CC1)[*:1] O=C(CC1C[NH+]=c2ccccc2=1)NCCCO[*:1]
O=C(CC1=c2ccccc2=[NH+]C1)NCCCOC1CCCCC1 C1CCC(CC1)O[*:1] O=C(CC1C[NH+]=c2ccccc2=1)NCCC[*:1]
Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 CC(C)(C)NC(=O)[*:1] Cc1cccc(c1)C(=O)Nc1cc(ccc1N1CC[NH+](CC1)C[*:1])C(=O)[O-]
Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 CC(C)(C)[*:1] Cc1cccc(c1)C(=O)Nc1cc(ccc1N1CC[NH+](CC1)CC(=O)N[*:1])C(=O)[O-]
Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 Cc1cccc(c1)C(=O)N[*:1] CC(C)(C)NC(=O)C[NH+]1CCN(CC1)c1ccc(cc1[*:1])C(=O)[O-]
Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 Cc1cccc(c1)[*:1] CC(C)(C)NC(=O)C[NH+]1CCN(CC1)c1ccc(cc1NC(=O)[*:1])C(=O)[O-]
Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 O=C([O-])[*:1] Cc1cccc(c1)C(=O)Nc1cc(ccc1N1CC[NH+](CC1)CC(=O)NC(C)(C)C)[*:1]
C[C@@H]1CCCN(C(=O)CS[C@H]2CC(=O)N(c3ccccc3)C2=O)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)CS[C@H]1CC(=O)N(C1=O)[*:1]
Cc1cccc2nc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cn12 O=C([O-])[*:1] Cc1cccc2nc(cn12)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1nc(Cc2nnc(SCc3nnnn3-c3c(C)cccc3C)o2)cs1 Cc1nc(cs1)C[*:1] Cc1cccc(C)c1-n1nnnc1CSc1nnc(o1)[*:1]
Cc1nc(Cc2nnc(SCc3nnnn3-c3c(C)cccc3C)o2)cs1 Cc1cccc(C)c1[*:1] Cc1nc(cs1)Cc1nnc(o1)SCc1nnnn1[*:1]
Cc1nc(Cc2nnc(SCc3nnnn3-c3c(C)cccc3C)o2)cs1 Cc1nc(cs1)[*:1] Cc1cccc(C)c1-n1nnnc1CSc1nnc(C[*:1])o1
COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)[O-])cc3[C@@H]2CO)ccc1O COc1cc(ccc1O)[*:1] COc1cc(/C=C/C(=O)[O-])cc2c1O[C@H]([C@H]2CO)[*:1]
COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)[O-])cc3[C@@H]2CO)ccc1O O=C([O-])[*:1] COc1cc(ccc1O)[C@@H]1Oc2c(cc(C=C[*:1])cc2[C@@H]1CO)OC
COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)[O-])cc3[C@@H]2CO)ccc1O O=C([O-])C=C[*:1] COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2[C@@H]1CO)[*:1])OC
CCCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2ccccc21 CCC[*:1] O=C(C[C@]1(O)C(=O)N(C[*:1])c2ccccc21)c1ccccc1
CCCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2ccccc21 O=C(c1ccccc1)[*:1] CCCCN1C(=O)[C@@](O)(C[*:1])c2ccccc21
CCCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CCCCN1C(=O)[C@@](O)(CC(=O)[*:1])c2ccccc21
CCCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2ccccc21 CCCC[*:1] O=C(C[C@]1(O)C(=O)N(c2ccccc21)[*:1])c1ccccc1
Cc1ccc(C(=O)Nc2ccc(-c3cnco3)cc2)c(O)c1 c1ncc(o1)[*:1] Cc1ccc(C(=O)Nc2ccc(cc2)[*:1])c(O)c1
CN(C)C(=O)c1ccc(F)c(NC(=O)N[C@H]2CC(=O)N(C)C2)c1 CN(C)C(=O)[*:1] CN1C[C@H](CC1=O)NC(=O)Nc1cc(ccc1F)[*:1]
CCn1cc([N+](=O)[O-])c(=O)n(CC(=O)C(C)C)c1=O CC(C)C(=O)[*:1] CCn1cc(c(=O)n(C[*:1])c1=O)[N+](=O)[O-]
CCn1cc([N+](=O)[O-])c(=O)n(CC(=O)C(C)C)c1=O O=[N+]([O-])[*:1] CCn1cc(c(=O)n(CC(=O)C(C)C)c1=O)[*:1]
CCn1cc([N+](=O)[O-])c(=O)n(CC(=O)C(C)C)c1=O CC(C)C(=O)C[*:1] CCn1cc(c(=O)n(c1=O)[*:1])[N+](=O)[O-]
CCn1cc([N+](=O)[O-])c(=O)n(CC(=O)C(C)C)c1=O CC(C)[*:1] CCn1cc(c(=O)n(CC(=O)[*:1])c1=O)[N+](=O)[O-]
C=CCN(Cc1cccs1)C(=O)c1cccnc1 c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)c1cccnc1
C=CCN(Cc1cccs1)C(=O)c1cccnc1 C=CC[*:1] O=C(c1cccnc1)N(Cc1cccs1)[*:1]
C=CCN(Cc1cccs1)C(=O)c1cccnc1 c1csc(c1)C[*:1] C=CCN(C(=O)c1cccnc1)[*:1]
C=CCN(Cc1cccs1)C(=O)c1cccnc1 c1cncc(c1)[*:1] C=CCN(Cc1cccs1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CCn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCn1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CCn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2c(ncn2CC[C@H](NS(=O)(=O)[*:1])c2ccccc2)n(C)c1=O
Cc1ccc(S(=O)(=O)N[C@@H](CCn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2)cc1 Cc1ccc(cc1)S(=O)(=O)N[*:1] Cn1c(=O)c2c(ncn2CC[C@@H](c2ccccc2)[*:1])n(C)c1=O
O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[C@H]1CC(=O)N(C1)c1ccccc1)N1CCO[C@H](C1)[*:1]
O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])N1CCO[C@@H](C1)c1ccccc1
Cc1nn(C)c(C)c1CC(=O)NCc1cccs1 c1csc(c1)[*:1] Cc1nn(C)c(C)c1CC(=O)NC[*:1]
Cc1nn(C)c(C)c1CC(=O)NCc1cccs1 c1csc(c1)C[*:1] Cc1nn(C)c(C)c1CC(=O)N[*:1]
C=CCN1C(=O)c2ccc(OC)cc2N[C@H]1Cl C=CC[*:1] COc1ccc2C(=O)N([C@H](Cl)Nc2c1)[*:1]
O=C(Cc1ccsc1)NNC(=O)C1=Cc2cc(F)ccc2OC1 c1cc(cs1)[*:1] O=C(C[*:1])NNC(=O)C1=Cc2cc(F)ccc2OC1
O=C(Cc1ccsc1)NNC(=O)C1=Cc2cc(F)ccc2OC1 c1cc(cs1)C[*:1] O=C(NNC(=O)[*:1])C1=Cc2cc(F)ccc2OC1
CCc1oc2ccccc2c1CN(C)C(=O)c1cc(C2CC2)on1 C1CC1[*:1] CCc1oc2ccccc2c1CN(C)C(=O)c1cc(on1)[*:1]
CCc1oc2ccccc2c1CN(C)C(=O)c1cc(C2CC2)on1 c1c(noc1C1CC1)[*:1] CCc1oc2ccccc2c1CN(C)C(=O)[*:1]
CCc1nn(C)cc1CNC(=O)NCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CCc1nn(C)cc1CNC(=O)NCC(=O)N[*:1]
CCC[NH+]1CCC(NC(=O)c2ccc(Cl)c3cccnc23)CC1 CCC[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1ccc(Cl)c2cccnc12
CC(C)[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccccn1 CC(C)[*:1] O=c1[nH]c2ccccc2cc1C[NH2+][C@@H](c1ccccn1)[*:1]
CC(C)[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[*:1]
O=C(c1ccccc1Cl)N1CCN(Cc2noc(-c3cccc(Cl)c3)n2)CC1 Clc1cccc(c1)[*:1] O=C(c1ccccc1Cl)N1CCN(CC1)Cc1noc(n1)[*:1]
O=C(c1ccccc1Cl)N1CCN(Cc2noc(-c3cccc(Cl)c3)n2)CC1 Clc1ccccc1[*:1] O=C(N1CCN(CC1)Cc1noc(n1)-c1cccc(Cl)c1)[*:1]
CCCCn1cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)cn1 CCCCn1cc(cn1)[*:1] O=C(N[*:1])c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)c1ccc2OCOc2c1
CCCCn1cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)cn1 CCC[*:1] O=C(Nc1cnn(c1)C[*:1])c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)c1ccc2OCOc2c1
CCCCn1cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)cn1 c1cc2OCOc2cc1[*:1] CCCCn1cc(cn1)NC(=O)c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
CCCCn1cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)cn1 CCCC[*:1] O=C(Nc1cnn(c1)[*:1])c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)c1ccc2OCOc2c1
CCCCn1cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)cn1 FC(F)(F)[*:1] CCCCn1cc(cn1)NC(=O)c1cc2N[C@@H](C[C@H](n2n1)[*:1])c1ccc2OCOc2c1
CC(C)C[C@@H](NC(=O)c1ccnn1C)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)C[C@@H](NC(=O)c1ccnn1C)C(=O)N[*:1]
CC(C)C[C@@H](NC(=O)c1ccnn1C)C(=O)Nc1nccs1 Cn1nccc1[*:1] CC(C)C[C@@H](NC(=O)[*:1])C(=O)Nc1nccs1
CC(C)C[C@@H](NC(=O)c1ccnn1C)C(=O)Nc1nccs1 CC(C)C[*:1] Cn1nccc1C(=O)N[C@@H](C(=O)Nc1nccs1)[*:1]
CC(C)C[C@@H](NC(=O)c1ccnn1C)C(=O)Nc1nccs1 CC(C)[*:1] Cn1nccc1C(=O)N[C@H](C[*:1])C(=O)Nc1nccs1
CO[C@@H](CNC(=O)N1C[C@H]2CCCC[C@H]2C1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)N1C[C@H]2CCCC[C@H]2C1)[*:1]
Cc1ccc(C[NH+](C)CC(=O)NCCC#N)c(C)c1 N#CC[*:1] Cc1ccc(C[NH+](C)CC(=O)NC[*:1])c(C)c1
Cc1ccc(C[NH+](C)CC(=O)NCCC#N)c(C)c1 N#CCC[*:1] Cc1ccc(C[NH+](C)CC(=O)N[*:1])c(C)c1
O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 c1cnc(nc1)[*:1] O=C(Cc1ccc2CCCCc2c1)Nc1ccc(cc1)S(=O)(=O)N[*:1]
O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 O=S(=O)(Nc1ncccn1)[*:1] O=C(Cc1ccc2CCCCc2c1)Nc1ccc(cc1)[*:1]
O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 c1cc2CCCCc2cc1[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
CC(C)Cn1cc(NCC(C)(C)CCC#N)cn1 CC(C)[*:1] CC(C)(CCC#N)CNc1cnn(c1)C[*:1]
CC(C)Cn1cc(NCC(C)(C)CCC#N)cn1 CC(C)C[*:1] CC(C)(CCC#N)CNc1cnn(c1)[*:1]
CC(C)Cn1cc(NCC(C)(C)CCC#N)cn1 N#CC[*:1] CC(C)Cn1cc(cn1)NCC(C)(C)C[*:1]
CC(C)Cn1cc(NCC(C)(C)CCC#N)cn1 N#CCC[*:1] CC(C)Cn1cc(cn1)NCC(C)(C)[*:1]
Cc1cc(O[C@H](C)C(=O)NCC2(c3ccncc3)CC2)ccc1Cl c1cc(ccn1)[*:1] Cc1cc(ccc1Cl)O[C@H](C)C(=O)NCC1(CC1)[*:1]
Cc1cc(O[C@H](C)C(=O)NCC2(c3ccncc3)CC2)ccc1Cl Cc1cc(ccc1Cl)[*:1] C[C@@H](O[*:1])C(=O)NCC1(CC1)c1ccncc1
Cc1occc1-c1nnc(S[C@H](C)C(=O)NCC2CCCCC2)o1 C1CCC(CC1)C[*:1] Cc1occc1-c1nnc(o1)S[C@H](C)C(=O)N[*:1]
Cc1occc1-c1nnc(S[C@H](C)C(=O)NCC2CCCCC2)o1 C1CCC(CC1)[*:1] Cc1occc1-c1nnc(o1)S[C@H](C)C(=O)NC[*:1]
Cc1occc1-c1nnc(S[C@H](C)C(=O)NCC2CCCCC2)o1 Cc1occc1[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)NCC1CCCCC1
CO/C(=N/C(=O)c1cccs1)NCCCN1CCOCC1 C1CN(CCO1)[*:1] CO/C(=N/C(=O)c1cccs1)NCCC[*:1]
CO/C(=N/C(=O)c1cccs1)NCCCN1CCOCC1 c1csc(c1)[*:1] CO/C(=N/C(=O)[*:1])NCCCN1CCOCC1
CO/C(=N/C(=O)c1cccs1)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] CO/C(=N/C(=O)c1cccs1)NCC[*:1]
CC(C)Oc1cccc([C@H](C)[C@@H](C)[NH3+])c1 CC(C)[*:1] C[C@@H](c1cccc(c1)O[*:1])[C@@H](C)[NH3+]
CC(C)Oc1cccc([C@H](C)[C@@H](C)[NH3+])c1 CC(C)O[*:1] C[C@@H](c1cccc(c1)[*:1])[C@@H](C)[NH3+]
C=CCn1c(SCC#N)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 C=CC[*:1] N#CCSc1nc2-c3ccccc3CC3(CCCCC3)c2c(=O)n1[*:1]
C=CCn1c(SCC#N)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 N#CC[*:1] C=CCn1c(nc2-c3ccccc3CC3(CCCCC3)c2c1=O)S[*:1]
C=CCn1c(SCC#N)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 N#CCS[*:1] C=CCn1c(nc2-c3ccccc3CC3(CCCCC3)c2c1=O)[*:1]
CC(C)[C@H](OC(=O)[C@@H](C)S(C)(=O)=O)c1ccc(F)c(F)c1 CS(=O)(=O)[*:1] CC(C)[C@H](OC(=O)[C@@H](C)[*:1])c1ccc(F)c(F)c1
CC(C)[C@H](OC(=O)[C@@H](C)S(C)(=O)=O)c1ccc(F)c(F)c1 C[C@@H](S(C)(=O)=O)[*:1] CC(C)[C@H](OC(=O)[*:1])c1ccc(F)c(F)c1
CC(C)[C@H](OC(=O)[C@@H](C)S(C)(=O)=O)c1ccc(F)c(F)c1 CC(C)[*:1] C[C@H](C(=O)O[C@H](c1ccc(F)c(F)c1)[*:1])S(C)(=O)=O
COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)/C=C/c1ccc(OC)c(c1)OC)[*:1]
CCCNc1nc(CCC(F)(F)F)[nH+]c(C)c1C(C)C CC(C)[*:1] CCCNc1nc(CCC(F)(F)F)[nH+]c(C)c1[*:1]
CCCNc1nc(CCC(F)(F)F)[nH+]c(C)c1C(C)C CCC[*:1] Cc1[nH+]c(CCC(F)(F)F)nc(N[*:1])c1C(C)C
CCCNc1nc(CCC(F)(F)F)[nH+]c(C)c1C(C)C CCCN[*:1] Cc1[nH+]c(CCC(F)(F)F)nc(c1C(C)C)[*:1]
CCCNc1nc(CCC(F)(F)F)[nH+]c(C)c1C(C)C FC(F)(F)[*:1] CCCNc1nc(CC[*:1])[nH+]c(C)c1C(C)C
CCCNc1nc(CCC(F)(F)F)[nH+]c(C)c1C(C)C FC(F)(F)CC[*:1] CCCNc1nc([nH+]c(C)c1C(C)C)[*:1]
CCCNc1nc(CCC(F)(F)F)[nH+]c(C)c1C(C)C FC(F)(F)C[*:1] CCCNc1nc(C[*:1])[nH+]c(C)c1C(C)C
CCOc1ccccc1NC(=O)CSc1ncnc2c1[nH]c1ccc(Br)cc12 CCO[*:1] O=C(CSc1ncnc2c1[nH]c1ccc(Br)cc12)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)CSc1ncnc2c1[nH]c1ccc(Br)cc12 CCOc1ccccc1[*:1] O=C(CSc1ncnc2c1[nH]c1ccc(Br)cc12)N[*:1]
COc1cc(/C=N/NC(=O)[C@@H]2C=C(C)N=N2)ccc1OC(C)=O CC(=O)O[*:1] COc1cc(/C=N/NC(=O)[C@@H]2C=C(C)N=N2)ccc1[*:1]
O=C(c1cccc(-n2ccnc2)c1)N1CCC(OC2CCCC2)CC1 c1cn(cn1)[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)OC1CCCC1
O=C(c1cccc(-n2ccnc2)c1)N1CCC(OC2CCCC2)CC1 C1CCC(C1)[*:1] O=C(c1cccc(c1)-n1ccnc1)N1CCC(CC1)O[*:1]
O=C(c1cccc(-n2ccnc2)c1)N1CCC(OC2CCCC2)CC1 C1CCC(C1)O[*:1] O=C(c1cccc(c1)-n1ccnc1)N1CCC(CC1)[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)N[N-]S(=O)(=O)c3cccc4nsnc34)cc2C1 c1cc(c2nsnc2c1)[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)N[N-]S(=O)(=O)[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)N[N-]S(=O)(=O)c3cccc4nsnc34)cc2C1 CC(C)(C)[*:1] O=C(N[N-]S(=O)(=O)c1cccc2nsnc12)c1cc2C[C@@H](CCc2s1)[*:1]
CC(=O)Nc1nc2ccc(CC(=O)NC(C)(C)C)cc2s1 CC(C)(C)NC(=O)[*:1] CC(=O)Nc1nc2ccc(cc2s1)C[*:1]
CC(=O)Nc1nc2ccc(CC(=O)NC(C)(C)C)cc2s1 CC(C)(C)[*:1] CC(=O)Nc1nc2ccc(cc2s1)CC(=O)N[*:1]
CC(=O)Nc1nc2ccc(CC(=O)NC(C)(C)C)cc2s1 CC(=O)N[*:1] CC(C)(C)NC(=O)Cc1ccc2nc(sc2c1)[*:1]
Cc1ocnc1CNC(=O)NCCc1ccccn1 Cc1ocnc1[*:1] O=C(NCCc1ccccn1)NC[*:1]
Cc1ocnc1CNC(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] Cc1ocnc1CNC(=O)NCC[*:1]
COC[C@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1 COC[C@H](C)[*:1] O=C(CNC(=O)c1ccc(Cl)cc1)N[*:1]
COC[C@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1 COC[*:1] C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)[*:1]
CC[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)c1ccn(n1)-c1cccc(Cl)c1)[*:1]
CC[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)C(=O)OC Clc1cccc(c1)[*:1] CC[C@H](NC(=O)c1ccn(n1)[*:1])C(=O)OC
CC[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)C(=O)OC CC[C@H](C(=O)OC)[*:1] O=C(N[*:1])c1ccn(n1)-c1cccc(Cl)c1
CCCCN(CCCO)C(=O)Nc1ccccn1 OCC[*:1] CCCCN(C[*:1])C(=O)Nc1ccccn1
CCCCN(CCCO)C(=O)Nc1ccccn1 CCCC[*:1] O=C(Nc1ccccn1)N(CCCO)[*:1]
CCCCN(CCCO)C(=O)Nc1ccccn1 CCC[*:1] O=C(Nc1ccccn1)N(CCCO)C[*:1]
CCCCN(CCCO)C(=O)Nc1ccccn1 OCCC[*:1] CCCCN(C(=O)Nc1ccccn1)[*:1]
CCCCN(CCCO)C(=O)Nc1ccccn1 c1ccc(nc1)[*:1] CCCCN(CCCO)C(=O)N[*:1]
Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C)c(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C)c(N)c(c1)[*:1]
Cc1ccccc1-c1onc(C)c1C(=O)NCCC1(C)OCCO1 Cc1ccccc1[*:1] Cc1noc(c1C(=O)NCCC1(C)OCCO1)[*:1]
Cc1ccccc1-c1onc(C)c1C(=O)NCCC1(C)OCCO1 CC1(OCCO1)[*:1] Cc1ccccc1-c1onc(C)c1C(=O)NCC[*:1]
Cc1ccccc1-c1onc(C)c1C(=O)NCCC1(C)OCCO1 CC1(CC[*:1])OCCO1 Cc1ccccc1-c1onc(C)c1C(=O)N[*:1]
Cc1ccccc1-c1onc(C)c1C(=O)NCCC1(C)OCCO1 CC1(C[*:1])OCCO1 Cc1ccccc1-c1onc(C)c1C(=O)NC[*:1]
CC[C@H](C(=O)NNC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 CC(C)(C)[*:1] CC[C@H](C(=O)NNC(=O)O[*:1])c1cccc(c1)C(F)(F)F
CC[C@H](C(=O)NNC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](C(=O)NNC(=O)OC(C)(C)C)c1cccc(c1)[*:1]
COCCN(Cc1ccccc1Cl)c1ncnc2oc(C)nc12 Clc1ccccc1[*:1] COCCN(C[*:1])c1ncnc2oc(C)nc12
COCCN(Cc1ccccc1Cl)c1ncnc2oc(C)nc12 COCC[*:1] Cc1nc2c(ncnc2o1)N(Cc1ccccc1Cl)[*:1]
COCCN(Cc1ccccc1Cl)c1ncnc2oc(C)nc12 COC[*:1] Cc1nc2c(ncnc2o1)N(Cc1ccccc1Cl)C[*:1]
O=C(Nc1nnc(-c2ccccc2Cl)s1)[C@H]1C[C@H]2CC[C@@H]1O2 Clc1ccccc1[*:1] O=C(Nc1nnc(s1)[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
O=C([O-])[C@@H]1CCCCCN1c1nc(Br)cs1 O=C([O-])[*:1] Brc1csc(n1)N1CCCCC[C@H]1[*:1]
Cc1c(O)ccc2c(Cn3cc(C(F)(F)F)cc(Cl)c3=O)cc(=O)oc12 FC(F)(F)[*:1] Cc1c(O)ccc2c(cc(=O)oc12)Cn1cc(cc(Cl)c1=O)[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)CC1 Clc1ccc(cc1)[*:1] CC[C@@H](C)[C@H](NC(=O)[*:1])C(=O)N1CCC(CC1)C(N)=O
CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(CC1)[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)CC1 CC[C@@H](C)[*:1] NC(=O)C1CCN(CC1)C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[*:1]
O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1ccccc1S(=O)(=O)C(F)F)[*:1]
O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccccn1 O=S(=O)(C(F)F)[*:1] O=C(Nc1ccccc1[*:1])c1ccccn1
O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccccn1 FC(F)[*:1] O=C(Nc1ccccc1S(=O)(=O)[*:1])c1ccccn1
O=C(NCCCNC(=O)C1CCC1)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(NCCCNC(=O)C1CCC1)C(=O)N[*:1]
O=C(NCCCNC(=O)C1CCC1)C(=O)Nc1cccnc1Cl O=C(N[*:1])C1CCC1 O=C(NCCC[*:1])C(=O)Nc1cccnc1Cl
O=C(NCCCNC(=O)C1CCC1)C(=O)Nc1cccnc1Cl C1CC(C1)[*:1] O=C(NCCCNC(=O)[*:1])C(=O)Nc1cccnc1Cl
OCc1ccc(OCc2ccccc2OC(F)F)cc1 FC(F)[*:1] OCc1ccc(cc1)OCc1ccccc1O[*:1]
OCc1ccc(OCc2ccccc2OC(F)F)cc1 FC(F)O[*:1] OCc1ccc(cc1)OCc1ccccc1[*:1]
Cc1cc(N2CC[C@H](CC(=O)[O-])C2)ncc1[N+](=O)[O-] O=C([O-])[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CC[C@@H](C1)C[*:1]
Cc1cc(N2CC[C@H](CC(=O)[O-])C2)ncc1[N+](=O)[O-] O=C([O-])C[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CC[C@H](C1)[*:1]
Cc1cc(N2CC[C@H](CC(=O)[O-])C2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CC[C@H](CC(=O)[O-])C1
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)-n1cncn1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)O[*:1]
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 c1ncn(n1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC(F)(F)F
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 FC(F)(F)Oc1ccc(cc1)[*:1] O=C(c1ccc(cc1)-n1cncn1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 FC(F)(F)O[*:1] O=C(c1ccc(cc1)-n1cncn1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 c1ncn(n1)-c1ccc(cc1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC(F)(F)F)[*:1]
C/C(=N\NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(cc1)[*:1]
C/C(=N\NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)[*:1]
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cncc(Br)c1 CC(C)(C)[*:1] CC(C)[C@](C)(CNC(=O)O[*:1])NC(=O)c1cncc(Br)c1
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cncc(Br)c1 CC(C)(C)OC(=O)N[*:1] CC(C)[C@](C)(C[*:1])NC(=O)c1cncc(Br)c1
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cncc(Br)c1 CC(C)[*:1] CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cncc(Br)c1)[*:1]
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cncc(Br)c1 Brc1cncc(c1)[*:1] CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[*:1]
COc1ccc(CCNC(=O)N2CCc3nc(NC(=O)NC4CCCC4)sc3C2)cc1 COc1ccc(cc1)CC[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)N[*:1])NC1CCCC1
COc1ccc(CCNC(=O)N2CCc3nc(NC(=O)NC4CCCC4)sc3C2)cc1 O=C(NC1CCCC1)N[*:1] COc1ccc(cc1)CCNC(=O)N1CCc2nc(sc2C1)[*:1]
COc1ccc(CCNC(=O)N2CCc3nc(NC(=O)NC4CCCC4)sc3C2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)NCC[*:1])NC1CCCC1
COc1ccc(CCNC(=O)N2CCc3nc(NC(=O)NC4CCCC4)sc3C2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)CCNC(=O)N1CCc2nc(NC(=O)N[*:1])sc2C1
COc1ccc(CCNC(=O)N2CCc3nc(NC(=O)NC4CCCC4)sc3C2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)NC[*:1])NC1CCCC1
CC(C)Oc1ccccc1[C@H]1CC(=O)NC2=NC(SCc3ccccc3Cl)=NC(=O)[C@@H]21 Clc1ccccc1[*:1] CC(C)Oc1ccccc1[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)SC[*:1]
CC(C)Oc1ccccc1[C@H]1CC(=O)NC2=NC(SCc3ccccc3Cl)=NC(=O)[C@@H]21 CC(C)[*:1] O=C1C[C@H](c2ccccc2O[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1ccccc1Cl
CC(C)Oc1ccccc1[C@H]1CC(=O)NC2=NC(SCc3ccccc3Cl)=NC(=O)[C@@H]21 CC(C)Oc1ccccc1[*:1] O=C1C[C@@H]([C@H]2C(=O)N=C(N=C2N1)SCc1ccccc1Cl)[*:1]
CC(C)Oc1ccccc1[C@H]1CC(=O)NC2=NC(SCc3ccccc3Cl)=NC(=O)[C@@H]21 Clc1ccccc1C[*:1] CC(C)Oc1ccccc1[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)S[*:1]
CC(C)Oc1ccccc1[C@H]1CC(=O)NC2=NC(SCc3ccccc3Cl)=NC(=O)[C@@H]21 CC(C)O[*:1] O=C1C[C@H](c2ccccc2[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1ccccc1Cl
Cc1cc(C)n(-c2ccc(NCc3noc(-c4ccccc4)n3)cc2F)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)NCc1noc(n1)[*:1]
Cc1cc(C)n(-c2ccc(NCc3noc(-c4ccccc4)n3)cc2F)n1 Cc1cc(C)n(n1)[*:1] Fc1cc(ccc1[*:1])NCc1noc(n1)-c1ccccc1
Cc1cnc(C(=O)N2CC[C@H](c3cc4nccnc4[nH]3)C2)cn1 Cc1cnc(cn1)[*:1] O=C(N1CC[C@@H](C1)c1cc2nccnc2[nH]1)[*:1]
CC[C@](C)([C@H](N)c1ccc(OC(C)C)cc1)[NH+]1CCCC1 CC(C)O[*:1] CC[C@](C)([C@H](N)c1ccc(cc1)[*:1])[NH+]1CCCC1
CC[C@](C)([C@H](N)c1ccc(OC(C)C)cc1)[NH+]1CCCC1 CC(C)[*:1] CC[C@](C)([C@H](N)c1ccc(cc1)O[*:1])[NH+]1CCCC1
C[C@@H](SCc1nc(C2CC2)no1)C(=O)Nc1cc(F)ccc1F C1CC1[*:1] C[C@@H](SCc1nc(no1)[*:1])C(=O)Nc1cc(F)ccc1F
CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCOC COCC[*:1] CCC[NH2+][C@]1(CCC[C@H]1[*:1])C(=O)[O-]
CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCOC CCC[*:1] COCC[C@H]1CCC[C@@]1([NH2+][*:1])C(=O)[O-]
CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCOC O=C([O-])[*:1] CCC[NH2+][C@]1(CCC[C@@H]1CCOC)[*:1]
CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCOC COC[*:1] CCC[NH2+][C@]1(CCC[C@@H]1C[*:1])C(=O)[O-]
Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(c3cnccn3)C2)cc1 c1cnc(cn1)[*:1] Cc1ccc(cc1)-c1cn[nH]c1[C@H]1CCCN(C1)[*:1]
Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(c3cnccn3)C2)cc1 Cc1ccc(cc1)[*:1] c1cnc(cn1)N1CCC[C@@H](C1)c1[nH]ncc1[*:1]
CC(C)[C@H](CO)NS(=O)(=O)CC#N N#CC[*:1] CC(C)[C@H](CO)NS(=O)(=O)[*:1]
CC(C)[C@H](CO)NS(=O)(=O)CC#N CC(C)[*:1] N#CCS(=O)(=O)N[C@@H](CO)[*:1]
C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)N[*:1]
O=C1N[C@@H](c2cccc(F)c2)[C@H]2C1=NN=C2c1cccs1 Fc1cccc(c1)[*:1] O=C1N[C@@H]([C@H]2C1=NN=C2c1cccs1)[*:1]
O=C1N[C@@H](c2cccc(F)c2)[C@H]2C1=NN=C2c1cccs1 c1csc(c1)[*:1] O=C1N[C@@H](c2cccc(F)c2)[C@H]2C1=NN=C2[*:1]
Cc1ccsc1CNC(=O)C(=O)Nc1ccccc1-n1cccn1 Cc1ccsc1C[*:1] O=C(Nc1ccccc1-n1cccn1)C(=O)N[*:1]
Cc1ccsc1CNC(=O)C(=O)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] Cc1ccsc1CNC(=O)C(=O)Nc1ccccc1[*:1]
Cc1ccsc1CNC(=O)C(=O)Nc1ccccc1-n1cccn1 Cc1ccsc1[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1-n1cccn1
O=C(C[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCCCC1 FC(F)(F)O[*:1] O=C(C[NH+]1CCN(CC1)Cc1ccc(cc1)[*:1])N1CCCCC1
O=C(C[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCCCC1 O=C(C[*:1])N1CCCCC1 FC(F)(F)Oc1ccc(cc1)CN1CC[NH+](CC1)[*:1]
O=C(C[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCCCC1 FC(F)(F)[*:1] O=C(C[NH+]1CCN(CC1)Cc1ccc(cc1)O[*:1])N1CCCCC1
O=C(C[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] FC(F)(F)Oc1ccc(cc1)CN1CC[NH+](CC1)C[*:1]
CCSCCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 CCSCC[*:1] Fc1ccc(cc1Cl)[C@H]1CN(CCO1)[*:1]
CCSCCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 CCS[*:1] Fc1ccc(cc1Cl)[C@H]1CN(CCO1)CC[*:1]
CCSCCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 CCSC[*:1] Fc1ccc(cc1Cl)[C@H]1CN(CCO1)C[*:1]
CN1C[C@H](C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CC1=O C1CO[C@@H](C1)C[*:1] CN1C[C@@H](CC1=O)C(=O)Nc1cccc(c1)O[*:1]
CN1C[C@H](C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CC1=O C1CO[C@@H](C1)CO[*:1] CN1C[C@@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
CN1C[C@H](C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CC1=O CN1C[C@H](CC1=O)[*:1] O=C(Nc1cccc(c1)OC[C@@H]1CCCO1)[*:1]
CN1C[C@H](C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CC1=O C1CO[C@@H](C1)[*:1] CN1C[C@@H](CC1=O)C(=O)Nc1cccc(c1)OC[*:1]
Cc1ccc(-n2nnc(C(=O)NCc3ccccn3)c2CSc2ncccn2)cc1Cl c1cnc(nc1)S[*:1] Cc1ccc(cc1Cl)-n1nnc(C(=O)NCc2ccccn2)c1C[*:1]
Cc1ccc(-n2nnc(C(=O)NCc3ccccn3)c2CSc2ncccn2)cc1Cl O=C(NCc1ccccn1)[*:1] Cc1ccc(cc1Cl)-n1nnc(c1CSc1ncccn1)[*:1]
Cc1ccc(-n2nnc(C(=O)NCc3ccccn3)c2CSc2ncccn2)cc1Cl c1cnc(nc1)[*:1] Cc1ccc(cc1Cl)-n1nnc(C(=O)NCc2ccccn2)c1CS[*:1]
Cc1ccc(-n2nnc(C(=O)NCc3ccccn3)c2CSc2ncccn2)cc1Cl c1cnc(nc1)SC[*:1] Cc1ccc(cc1Cl)-n1nnc(C(=O)NCc2ccccn2)c1[*:1]
Cc1ccc(-n2nnc(C(=O)NCc3ccccn3)c2CSc2ncccn2)cc1Cl c1ccc(C[*:1])nc1 Cc1ccc(cc1Cl)-n1nnc(C(=O)N[*:1])c1CSc1ncccn1
Cc1ccc(-n2nnc(C(=O)NCc3ccccn3)c2CSc2ncccn2)cc1Cl c1ccc(nc1)[*:1] Cc1ccc(cc1Cl)-n1nnc(C(=O)NC[*:1])c1CSc1ncccn1
Cc1ccc(-n2nnc(C(=O)NCc3ccccn3)c2CSc2ncccn2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(NCc1ccccn1)c1nnn(c1CSc1ncccn1)[*:1]
COC(=O)c1sc(NC(=O)Cc2ccc(C)cc2)nc1C1CC1 Cc1ccc(cc1)[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)C[*:1]
COC(=O)c1sc(NC(=O)Cc2ccc(C)cc2)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)Cc1ccc(C)cc1
COC(=O)c1sc(NC(=O)Cc2ccc(C)cc2)nc1C1CC1 COC(=O)[*:1] Cc1ccc(cc1)CC(=O)Nc1nc(c(s1)[*:1])C1CC1
Cc1cc([C@@H](C)NC(=O)NNC(=O)c2sccc2C)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1ccsc1C(=O)NNC(=O)N[C@H](C)[*:1]
Cc1cc([C@@H](C)NC(=O)NNC(=O)c2sccc2C)c(C)o1 Cc1ccsc1[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)NNC(=O)[*:1]
COc1ccccc1N1C(N)=[NH+]C[C@@]1(C)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1N1C(N)=[NH+]C[C@]1(C)[*:1]
O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCCc1ccccc1 Clc1cccc(c1)[*:1] O=C(CN1C(=O)C(=C[*:1])Oc2ccccc21)NCCc1ccccc1
O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCC[*:1]
O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)N[*:1]
O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NC[*:1]
N#CCN(C(=O)c1cccc(F)c1Cl)C1CCCC1 C1CCC(C1)[*:1] N#CCN(C(=O)c1cccc(F)c1Cl)[*:1]
N#CCN(C(=O)c1cccc(F)c1Cl)C1CCCC1 N#CC[*:1] O=C(c1cccc(F)c1Cl)N(C1CCCC1)[*:1]
O=S(=O)(c1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CC[NH+](CC1)C1CCCC1
Cc1cc(NC(=O)N2CCN(Cc3ccc4nccnc4c3)CC2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(N[*:1])N1CCN(CC1)Cc1ccc2nccnc2c1
CC(=O)c1ccc(OCC(=O)N2CCCc3cc(Cl)cc(C)c32)cc1 CC(=O)[*:1] Cc1cc(Cl)cc2CCCN(C(=O)COc3ccc(cc3)[*:1])c12
Cc1ccc([C@H](CNS(=O)(=O)CC2CCC2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(CC1CCC1)NC[C@H](N1CCOCC1)[*:1]
Cc1ccc([C@H](CNS(=O)(=O)CC2CCC2)N2CCOCC2)cc1 C1CC(C1)[*:1] Cc1ccc(cc1)[C@H](CNS(=O)(=O)C[*:1])N1CCOCC1
Cc1ccc([C@H](CNS(=O)(=O)CC2CCC2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H](CNS(=O)(=O)CC1CCC1)[*:1]
Cc1ccc([C@H](CNS(=O)(=O)CC2CCC2)N2CCOCC2)cc1 C1CC(C1)C[*:1] Cc1ccc(cc1)[C@H](CNS(=O)(=O)[*:1])N1CCOCC1
CN(CCOCC1CC1)C(=O)c1ccc(CCl)cc1 C1CC1[*:1] CN(CCOC[*:1])C(=O)c1ccc(cc1)CCl
CN(CCOCC1CC1)C(=O)c1ccc(CCl)cc1 C1CC1C[*:1] CN(CCO[*:1])C(=O)c1ccc(cc1)CCl
CN(CCOCC1CC1)C(=O)c1ccc(CCl)cc1 C1CC1CO[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)CCl
CN(CCOCC1CC1)C(=O)c1ccc(CCl)cc1 C1CC1COC[*:1] CN(C[*:1])C(=O)c1ccc(cc1)CCl
C[C@@H](Cc1cccs1)N(C)c1ccc(N)cc1C#N c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)c1ccc(N)cc1C#N
C[C@@H](Cc1cccs1)N(C)c1ccc(N)cc1C#N c1csc(c1)C[*:1] C[C@@H](N(C)c1ccc(N)cc1C#N)[*:1]
O=C(Cc1ccccc1F)N1CCN(Cc2cccc(-n3cccn3)c2)CC1 Fc1ccccc1[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cccc(c1)-n1cccn1
O=C(Cc1ccccc1F)N1CCN(Cc2cccc(-n3cccn3)c2)CC1 c1cnn(c1)[*:1] O=C(Cc1ccccc1F)N1CCN(CC1)Cc1cccc(c1)[*:1]
O=C(Cc1ccccc1F)N1CCN(Cc2cccc(-n3cccn3)c2)CC1 Fc1ccccc1C[*:1] O=C(N1CCN(CC1)Cc1cccc(c1)-n1cccn1)[*:1]
C[C@H](CO)NC(=O)Nc1ccccc1N1CCCCCC1 C1CCCN(CC1)[*:1] C[C@H](CO)NC(=O)Nc1ccccc1[*:1]
C[C@H](CO)NC(=O)Nc1ccccc1N1CCCCCC1 C[C@H](CO)[*:1] O=C(Nc1ccccc1N1CCCCCC1)N[*:1]
COc1cccc(C(=O)/C(C#N)=C/c2ncc(-c3ccccc3)s2)c1 COc1cccc(c1)[*:1] N#C/C(=C\c1ncc(s1)-c1ccccc1)C(=O)[*:1]
COc1cccc(C(=O)/C(C#N)=C/c2ncc(-c3ccccc3)s2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)/C(C#N)=C/c1ncc(s1)[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)N1CCCC2(CCCCCC2)C1 Cc1noc(C)c1[*:1] C[C@H](C[*:1])C(=O)N1CCCC2(CCCCCC2)C1
Cc1noc(C)c1C[C@@H](C)C(=O)N1CCCC2(CCCCCC2)C1 Cc1noc(C)c1C[*:1] C[C@@H](C(=O)N1CCCC2(CCCCCC2)C1)[*:1]
CC(C)OC[C@@H](O)CN1CCn2c(nn(C)c2=O)C1 CC(C)OC[*:1] Cn1nc2CN(CCn2c1=O)C[C@H](O)[*:1]
CC(C)OC[C@@H](O)CN1CCn2c(nn(C)c2=O)C1 CC(C)O[*:1] Cn1nc2CN(CCn2c1=O)C[C@H](O)C[*:1]
CC(C)OC[C@@H](O)CN1CCn2c(nn(C)c2=O)C1 CC(C)[*:1] Cn1nc2CN(CCn2c1=O)C[C@H](O)CO[*:1]
COc1ccc(CO/N=C(/N)Cc2nc(C)cs2)c(Cl)c1 Cc1csc(C[*:1])n1 COc1ccc(CO/N=C(/N)[*:1])c(Cl)c1
COc1ccc(CO/N=C(/N)Cc2nc(C)cs2)c(Cl)c1 Cc1csc(n1)[*:1] COc1ccc(CO/N=C(/N)C[*:1])c(Cl)c1
CC[C@H](C(=O)NCCn1nc(-n2nc(C)cc2C)ccc1=O)c1ccccc1 CC[C@H](c1ccccc1)[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CCNC(=O)[*:1])n1
CC[C@H](C(=O)NCCn1nc(-n2nc(C)cc2C)ccc1=O)c1ccccc1 Cc1cc(C)n(n1)[*:1] CC[C@H](C(=O)NCCn1nc(ccc1=O)[*:1])c1ccccc1
CC[C@H](C(=O)NCCn1nc(-n2nc(C)cc2C)ccc1=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)NCCn1nc(ccc1=O)-n1nc(C)cc1C)[*:1]
O=C(COc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1 c1ccc(cc1)OC[*:1] O=C(n1nc(nc1NCc1ccco1)-c1ccccc1)[*:1]
O=C(COc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1 c1coc(c1)C[*:1] O=C(COc1ccccc1)n1nc(nc1N[*:1])-c1ccccc1
O=C(COc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1 c1ccc(cc1)[*:1] O=C(COc1ccccc1)n1nc(nc1NCc1ccco1)[*:1]
O=C(COc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1 c1ccc(cc1)[*:1] O=C(CO[*:1])n1nc(nc1NCc1ccco1)-c1ccccc1
O=C(COc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1 c1coc(c1)[*:1] O=C(COc1ccccc1)n1nc(nc1NC[*:1])-c1ccccc1
O=C(COc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1 c1ccc(cc1)O[*:1] O=C(C[*:1])n1nc(nc1NCc1ccco1)-c1ccccc1
O=C(COc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1 c1coc(c1)CN[*:1] O=C(COc1ccccc1)n1nc(nc1[*:1])-c1ccccc1
CC(C)Cc1ncc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)s1 CC(C)C[*:1] O=C1CN(Cc2cnc(s2)[*:1])[C@H]2CCCC[C@@H]2N1
CC(C)Cc1ncc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)s1 CC(C)[*:1] O=C1CN(Cc2cnc(C[*:1])s2)[C@H]2CCCC[C@@H]2N1
CCOC(=O)c1ccccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 FC(F)(F)[*:1] CCOC(=O)c1ccccc1NC(=O)C1CCN(CC1)c1ccc2nnc(n2n1)[*:1]
CCOC(=O)c1ccccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 CCOC(=O)[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)c1ccc2nnc(n2n1)C(F)(F)F
CCOC(=O)c1ccccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 CCOC(=O)c1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc2nnc(n2n1)C(F)(F)F
CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cc(Br)cn(C)c1=O CCC[*:1] C[C@@H]1CCCN(C(=O)Nc2cc(Br)cn(C)c2=O)[C@@H]1[*:1]
COc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)cc1 CC(C)[*:1] COc1ccc(cc1)CN1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)C[*:1]
O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1Sc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1S[*:1]
O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1Sc1ccccc1 c1ccc(cc1)S[*:1] O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1[*:1]
CC[C@@]1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2I)C1=O Ic1ccccc1[*:1] CC[C@]1(C(=O)NC(=O)N(C1=O)C(=O)[*:1])c1ccccc1
CC[C@@]1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2I)C1=O c1ccc(cc1)[*:1] CC[C@]1(C(=O)NC(=O)N(C(=O)c2ccccc2I)C1=O)[*:1]
CC[C@@](C)([NH3+])C(=O)N(C)Cc1ccc(OC(F)F)cc1 FC(F)O[*:1] CC[C@@](C)([NH3+])C(=O)N(C)Cc1ccc(cc1)[*:1]
CC[C@@](C)([NH3+])C(=O)N(C)Cc1ccc(OC(F)F)cc1 FC(F)[*:1] CC[C@@](C)([NH3+])C(=O)N(C)Cc1ccc(cc1)O[*:1]
C[NH+]1CCN(C2CC[NH+](Cc3ccccc3Br)CC2)CC1 Brc1ccccc1[*:1] C[NH+]1CCN(CC1)C1CC[NH+](CC1)C[*:1]
CCN(CC(=O)NC(C)(C)C)c1snc(Cl)c1C#N CC(C)(C)[*:1] CCN(CC(=O)N[*:1])c1snc(Cl)c1C#N
CC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CCC[C@H](C(=O)NC)C1 CNC(=O)[*:1] CC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CCC[C@H](C1)[*:1]
CC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CCC[C@H](C(=O)NC)C1 Cc1ccc(cc1)C[*:1] CC[C@@H](NC(=O)N1CCC[C@@H](C1)C(=O)NC)[*:1]
CC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CCC[C@H](C(=O)NC)C1 Cc1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)N1CCC[C@@H](C1)C(=O)NC
Cc1cc(I)cnc1NC(=O)c1ccoc1 c1cc(co1)[*:1] Cc1cc(I)cnc1NC(=O)[*:1]
CCCc1noc(CS(=O)(=O)c2ccc(C)c(C)c2)n1 CCC[*:1] Cc1ccc(cc1C)S(=O)(=O)Cc1nc(no1)[*:1]
CN(C(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)COn1nnc2ccc(cc21)S(=O)(=O)N1CCOCC1)[*:1]
CN(C(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 CN(C(=O)[*:1])c1ccccc1 O=S(=O)(c1ccc2nnn(OC[*:1])c2c1)N1CCOCC1
CN(C(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 O=S(=O)(N1CCOCC1)[*:1] CN(C(=O)COn1nnc2ccc(cc21)[*:1])c1ccccc1
CCn1nc(C)c(CCNc2ncnc3c2CCN(C(=O)C2CC2)C3)c1C CCn1nc(C)c(c1C)[*:1] O=C(C1CC1)N1CCc2c(C1)ncnc2NCC[*:1]
CCn1nc(C)c(CCNc2ncnc3c2CCN(C(=O)C2CC2)C3)c1C C1CC1[*:1] CCn1nc(C)c(CCNc2ncnc3CN(CCc32)C(=O)[*:1])c1C
Cc1ccc(-c2ccc(-c3ccn[nH]3)cc2)c(N)[nH+]1 c1cc([nH]n1)[*:1] Cc1ccc(-c2ccc(cc2)[*:1])c(N)[nH+]1
Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2C)c(Br)c1 Cc1cc(Cl)ccc1[*:1] Cc1ccc(OCC(=O)NNC(=O)CO[*:1])c(Br)c1
Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2C)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] Cc1cc(Cl)ccc1OCC(=O)NNC(=O)CO[*:1]
CC(=O)N1CCC(NC(=O)CN2CCN(CC3CC3)c3ccccc32)CC1 C1CC1C[*:1] CC(=O)N1CCC(CC1)NC(=O)CN1CCN(c2ccccc21)[*:1]
CC(=O)N1CCC(NC(=O)CN2CCN(CC3CC3)c3ccccc32)CC1 CC(=O)N1CCC(CC1)[*:1] O=C(CN1CCN(CC2CC2)c2ccccc21)N[*:1]
CC(=O)N1CCC(NC(=O)CN2CCN(CC3CC3)c3ccccc32)CC1 C1CC1[*:1] CC(=O)N1CCC(CC1)NC(=O)CN1CCN(C[*:1])c2ccccc21
CCN(Cc1cccc(F)c1)C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O O=[N+]([O-])[*:1] CCN(Cc1cccc(F)c1)C(=O)Cn1cnc2ccc(cc2c1=O)[*:1]
CCN(Cc1cccc(F)c1)C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O Fc1cccc(c1)[*:1] CCN(C[*:1])C(=O)Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-]
CCN(Cc1cccc(F)c1)C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O Fc1cccc(c1)C[*:1] CCN(C(=O)Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])[*:1]
CN(CCC#N)C(=S)NC1CCCCC1 N#CC[*:1] CN(C[*:1])C(=S)NC1CCCCC1
CN(CCC#N)C(=S)NC1CCCCC1 N#CCC[*:1] CN(C(=S)NC1CCCCC1)[*:1]
CC(C)N(CC1CC[NH2+]CC1)S(=O)(=O)[C@H](C)C(=O)[O-] CC(C)[*:1] C[C@H](C(=O)[O-])S(=O)(=O)N(CC1CC[NH2+]CC1)[*:1]
CC(C)N(CC1CC[NH2+]CC1)S(=O)(=O)[C@H](C)C(=O)[O-] O=C([O-])[*:1] CC(C)N(CC1CC[NH2+]CC1)S(=O)(=O)[C@H](C)[*:1]
C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(C)CC(C)(C)O)cc1 CC(C)(O)[*:1] C[C@@H]([NH3+])c1ccc(cc1)S(=O)(=O)N(C)C[*:1]
C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(C)CC(C)(C)O)cc1 CC(C)(O)C[*:1] C[C@@H]([NH3+])c1ccc(cc1)S(=O)(=O)N(C)[*:1]
CC(C)(C)OC(=O)N1CCN(CC(=O)NCC#N)CC1 N#CCNC(=O)[*:1] CC(C)(C)OC(=O)N1CCN(CC1)C[*:1]
CC(C)(C)OC(=O)N1CCN(CC(=O)NCC#N)CC1 CC(C)(C)[*:1] N#CCNC(=O)CN1CCN(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCN(CC(=O)NCC#N)CC1 N#CC[*:1] CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)N[*:1]
CC(=O)c1ccc(N2CCN(CC3=NC(=O)C4=C(c5ccc(C)cc5)[C@H](C)SC4=N3)CC2)cc1 CC(=O)[*:1] Cc1ccc(cc1)C1=C2C(=O)N=C(CN3CCN(CC3)c3ccc(cc3)[*:1])N=C2S[C@H]1C
CC(=O)c1ccc(N2CCN(CC3=NC(=O)C4=C(c5ccc(C)cc5)[C@H](C)SC4=N3)CC2)cc1 Cc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)CC1=NC(=O)C2C(=N1)S[C@@H](C)C=2[*:1]
CC(=O)c1ccc(N2CCN(CC3=NC(=O)C4=C(c5ccc(C)cc5)[C@H](C)SC4=N3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)C1=C2C(=O)N=C(CN3CCN(CC3)[*:1])N=C2S[C@H]1C
C=C(C)COc1ccccc1C(=O)N1CC[NH2+][C@H](CC)C1 C=C(C)CO[*:1] CC[C@@H]1CN(CC[NH2+]1)C(=O)c1ccccc1[*:1]
C=C(C)COc1ccccc1C(=O)N1CC[NH2+][C@H](CC)C1 C=C(C)[*:1] CC[C@@H]1CN(CC[NH2+]1)C(=O)c1ccccc1OC[*:1]
C=C(C)COc1ccccc1C(=O)N1CC[NH2+][C@H](CC)C1 C=C(C)C[*:1] CC[C@@H]1CN(CC[NH2+]1)C(=O)c1ccccc1O[*:1]
Cc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nnc(C2CC2)o1 C1CC1[*:1] Cc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nnc(o1)[*:1]
Cc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nnc(C2CC2)o1 Cc1ccc(Cl)cc1[*:1] O=C(Cn1cccc1-c1nnc(o1)C1CC1)N[*:1]
Cc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nnc(C2CC2)o1 C1CC1c1nnc(o1)[*:1] Cc1ccc(Cl)cc1NC(=O)Cn1cccc1[*:1]
C[C@@H](NC(=O)c1cscn1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C c1nc(cs1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C
C[C@@H](NC(=O)c1cscn1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C O=C(N[*:1])c1cscn1 C[C@@H](C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C)[*:1]
Cc1c(NC(=O)Nc2ccccc2C(F)(F)F)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 FC(F)(F)c1ccccc1[*:1] Cc1c(NC(=O)N[*:1])sc2nc3CC[C@@H](C)CCn3c(=O)c12
Cc1c(NC(=O)Nc2ccccc2C(F)(F)F)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 FC(F)(F)[*:1] Cc1c(NC(=O)Nc2ccccc2[*:1])sc2nc3CC[C@@H](C)CCn3c(=O)c12
CC1(C)CC(NC(=O)N[C@@H](CO)c2ccco2)CC(C)(C)[NH2+]1 c1coc(c1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)N[C@@H](CO)[*:1]
CC[C@H](C)Nc1nc2sc3c(c2c(=O)n1C)CCCC3 CC[C@H](C)[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)N[*:1]
CC[C@H](C)Nc1nc2sc3c(c2c(=O)n1C)CCCC3 CC[C@H](C)N[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)[*:1]
COCCN(C)c1ccc(NCc2ccsc2)[nH+]c1 c1cc(cs1)C[*:1] COCCN(C)c1ccc(N[*:1])[nH+]c1
COCCN(C)c1ccc(NCc2ccsc2)[nH+]c1 COCC[*:1] CN(c1ccc(NCc2ccsc2)[nH+]c1)[*:1]
COCCN(C)c1ccc(NCc2ccsc2)[nH+]c1 c1cc(cs1)[*:1] COCCN(C)c1ccc(NC[*:1])[nH+]c1
COCCN(C)c1ccc(NCc2ccsc2)[nH+]c1 COC[*:1] CN(C[*:1])c1ccc(NCc2ccsc2)[nH+]c1
COCCN(C)c1ccc(NCc2ccsc2)[nH+]c1 COCCN(C)[*:1] c1cc(cs1)CNc1ccc(c[nH+]1)[*:1]
O=c1[nH]c2ccccc2nc1CN1CCOCC1 C1CN(CCO1)[*:1] O=c1[nH]c2ccccc2nc1C[*:1]
O=C(NCCc1nnc2n1CCCCC2)[C@H]1C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCc1nnc2CCCCCn21)[C@H]1C[C@H]1[*:1]
CC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)-n1nnnc1SCC(=O)N[*:1]
CC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)cc1 CC(=O)[*:1] O=C(CSc1nnnn1-c1ccc(cc1)[*:1])Nc1ccc(F)cc1
CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H](CO)c2cc(F)c(F)c(F)c2)cc1 CC(C)[*:1] C[C@@H]([NH2+][C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccc(cc1)S[*:1]
CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H](CO)c2cc(F)c(F)c(F)c2)cc1 CC(C)S[*:1] C[C@@H]([NH2+][C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccc(cc1)[*:1]
O=C1NC[C@]2(CCCN(C(=O)CCc3cccnc3)CC2)O1 c1cncc(c1)[*:1] O=C1NC[C@]2(CCCN(CC2)C(=O)CC[*:1])O1
O=C1NC[C@]2(CCCN(C(=O)CCc3cccnc3)CC2)O1 c1cncc(c1)C[*:1] O=C1NC[C@]2(CCCN(CC2)C(=O)C[*:1])O1
CC1(C)CC(N(Cc2ccccn2)Cc2ccc(Br)o2)CC(C)(C)[NH2+]1 c1ccc(C[*:1])nc1 CC1(C)CC(CC(C)(C)[NH2+]1)N(Cc1ccc(Br)o1)[*:1]
CC1(C)CC(N(Cc2ccccn2)Cc2ccc(Br)o2)CC(C)(C)[NH2+]1 Brc1ccc(C[*:1])o1 CC1(C)CC(CC(C)(C)[NH2+]1)N(Cc1ccccn1)[*:1]
CC1(C)CC(N(Cc2ccccn2)Cc2ccc(Br)o2)CC(C)(C)[NH2+]1 c1ccc(nc1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)N(Cc1ccc(Br)o1)C[*:1]
CC1(C)CC(N(Cc2ccccn2)Cc2ccc(Br)o2)CC(C)(C)[NH2+]1 Brc1ccc(o1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)N(Cc1ccccn1)C[*:1]
COc1ccc(-n2cc(CN3CCNC(=O)C3)c(-c3cccc(F)c3)n2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)-n1cc(CN2CCNC(=O)C2)c(n1)[*:1]
COc1ccc(-n2cc(CN3CCNC(=O)C3)c(-c3cccc(F)c3)n2)cc1 O=C1CN(CCN1)C[*:1] COc1ccc(cc1)-n1cc(c(n1)-c1cccc(F)c1)[*:1]
COc1ccc(-n2cc(CN3CCNC(=O)C3)c(-c3cccc(F)c3)n2)cc1 COc1ccc(cc1)[*:1] O=C1CN(CCN1)Cc1cn(nc1-c1cccc(F)c1)[*:1]
COc1ccc(-n2cc(CN3CCNC(=O)C3)c(-c3cccc(F)c3)n2)cc1 O=C1CN(CCN1)[*:1] COc1ccc(cc1)-n1cc(C[*:1])c(n1)-c1cccc(F)c1
CCOC(=O)[C@H]1CSCCN1CN1C(=O)c2cccc3cccc1c23 CCOC(=O)[*:1] O=C1c2cccc3cccc(c23)N1CN1CCSC[C@@H]1[*:1]
CCOC(=O)C1CCC([NH+]2CCN(CCc3ccccc3)CC2)CC1 c1ccc(cc1)C[*:1] CCOC(=O)C1CCC(CC1)[NH+]1CCN(CC1)C[*:1]
CCOC(=O)C1CCC([NH+]2CCN(CCc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1CCC(CC1)[NH+]1CCN(CC1)CC[*:1]
CCOC(=O)C1CCC([NH+]2CCN(CCc3ccccc3)CC2)CC1 CCOC(=O)[*:1] c1ccc(cc1)CCN1CC[NH+](CC1)C1CCC(CC1)[*:1]
CCOC(=O)C1CCC([NH+]2CCN(CCc3ccccc3)CC2)CC1 c1ccc(cc1)CC[*:1] CCOC(=O)C1CCC(CC1)[NH+]1CCN(CC1)[*:1]
COC(=O)C1(N(C)C(=O)[C@H]2C[C@H]2C)CCCCC1 COC(=O)[*:1] C[C@@H]1C[C@@H]1C(=O)N(C)C1(CCCCC1)[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)c1nc2nccc(C)n2n1 COC(=O)[*:1] Cc1ccnc2nc(nn12)C(=O)N1CCCC[C@@H]1C[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)c1nc2nccc(C)n2n1 COC(=O)C[*:1] Cc1ccnc2nc(nn12)C(=O)N1CCCC[C@@H]1[*:1]
CCc1ccc(-c2ccc(C(=O)NCc3nnc4n3CCC4)o2)cc1 C1Cc2nnc(n2C1)[*:1] CCc1ccc(cc1)-c1ccc(o1)C(=O)NC[*:1]
CCc1ccc(-c2ccc(C(=O)NCc3nnc4n3CCC4)o2)cc1 CCc1ccc(cc1)[*:1] O=C(NCc1nnc2CCCn21)c1ccc(o1)[*:1]
Cc1nc(COC(=O)c2cc(C(C)C)nn2C)sc1C CC(C)[*:1] Cc1nc(COC(=O)c2cc(nn2C)[*:1])sc1C
O=C(CCNC(=O)c1ccn2ccsc12)Nc1cccnc1 c1cncc(c1)[*:1] O=C(CCNC(=O)c1ccn2ccsc12)N[*:1]
COc1ccc(-c2ccnc3nc(CCc4ccc(OC)c(OC)c4)nn23)c(F)c1 COc1ccc(cc1OC)[*:1] COc1ccc(c(F)c1)-c1ccnc2nc(CC[*:1])nn12
COc1ccc(-c2ccnc3nc(CCc4ccc(OC)c(OC)c4)nn23)c(F)c1 COc1ccc(c(F)c1)[*:1] COc1ccc(cc1OC)CCc1nc2nccc(n2n1)[*:1]
O=C(CCc1ccco1)Oc1cccc(NC(=O)c2ccccc2)c1 c1coc(c1)C[*:1] O=C(C[*:1])Oc1cccc(c1)NC(=O)c1ccccc1
O=C(CCc1ccco1)Oc1cccc(NC(=O)c2ccccc2)c1 c1coc(c1)[*:1] O=C(CC[*:1])Oc1cccc(c1)NC(=O)c1ccccc1
O=C(CCc1ccco1)Oc1cccc(NC(=O)c2ccccc2)c1 c1coc(c1)CC[*:1] O=C(Nc1cccc(c1)OC(=O)[*:1])c1ccccc1
O=C(CCc1ccco1)Oc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(CCc1ccco1)Oc1cccc(c1)NC(=O)[*:1]
CCCNC(=O)C[NH2+][C@@H]1CCCS[C@@H]1C CCC[*:1] C[C@H]1SCCC[C@H]1[NH2+]CC(=O)N[*:1]
O=C(Nc1cccc(Cl)c1)Nc1cccc(C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] O=C(Nc1cccc(Cl)c1)Nc1cccc(c1)C(=O)NC[*:1]
O=C(Nc1cccc(Cl)c1)Nc1cccc(C(=O)NCc2ccco2)c1 Clc1cccc(c1)[*:1] O=C(Nc1cccc(c1)C(=O)NCc1ccco1)N[*:1]
O=C(Nc1cccc(Cl)c1)Nc1cccc(C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] O=C(Nc1cccc(Cl)c1)Nc1cccc(c1)C(=O)N[*:1]
CC(=O)Nc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(F)c(C)c3)c(=O)c3sccc32)c1 CC(=O)Nc1cccc(c1)[*:1] Cc1cc(ccc1F)-n1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
CC(=O)Nc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(F)c(C)c3)c(=O)c3sccc32)c1 CC(=O)N[*:1] Cc1cc(ccc1F)-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(c2)[*:1])c1=O
CC(=O)Nc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(F)c(C)c3)c(=O)c3sccc32)c1 Cc1cc(ccc1F)[*:1] CC(=O)Nc1cccc(c1)NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
O=C(CSCc1ccc(Cl)cc1)N1CCOC[C@H]1C1CC1 Clc1ccc(cc1)[*:1] O=C(CSC[*:1])N1CCOC[C@H]1C1CC1
O=C(CSCc1ccc(Cl)cc1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(CSCc1ccc(Cl)cc1)N1CCOC[C@@H]1[*:1]
O=C(NC1=CN=NC1)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] O=C(NC1=CN=NC1)Nc1ccc(cc1)O[*:1]
O=C(NC1=CN=NC1)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NC1=CN=NC1)Nc1ccc(cc1)OC[*:1]
O=C(NC1=CN=NC1)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] O=C(NC1=CN=NC1)Nc1ccc(cc1)[*:1]
COC(=O)CCC[NH2+][C@H]1CCS(=O)(=O)C1 COC(=O)[*:1] O=S1(=O)CC[C@@H](C1)[NH2+]CCC[*:1]
COC(=O)CCC[NH2+][C@H]1CCS(=O)(=O)C1 COC(=O)C[*:1] O=S1(=O)CC[C@@H](C1)[NH2+]CC[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H](C)COc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H](C)C[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H](C)COc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H](C)CO[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H](C)COc1ccc(F)cc1 Cc1noc(C)c1[*:1] C[C@@H](COc1ccc(F)cc1)NC(=O)N[C@H](C)[*:1]
CC[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C CC(C)(C)[*:1] CC[C@@H](C)[NH2+][C@@H](C)C(=O)O[*:1]
CC[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C CC[C@@H](C)[*:1] C[C@H]([NH2+][*:1])C(=O)OC(C)(C)C
COCCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 COC[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(SC[*:1])s1
COCCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 COCC[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(S[*:1])s1
COCCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 Clc1ccccc1[*:1] COCCSc1nnc(NC(=O)c2c(noc2C)[*:1])s1
COCCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 COCCS[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(s1)[*:1]
C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] C[C@H](Nc1cccc(c1)N1CCCC1=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 O=C1CCCN1[*:1] C[C@H](Nc1cccc(c1)[*:1])C(=O)Nc1ccc(cc1)Oc1ccccc1
C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](Nc1cccc(c1)N1CCCC1=O)C(=O)Nc1ccc(cc1)O[*:1]
O=C(OCc1nc(-c2ccccc2)no1)c1cc(-c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] O=C(OCc1nc(no1)-c1ccccc1)c1cc([nH]n1)[*:1]
O=C(OCc1nc(-c2ccccc2)no1)c1cc(-c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] O=C(OCc1nc(no1)[*:1])c1cc([nH]n1)-c1ccccc1
O=C(NC(=O)c1c(Cl)cccc1Cl)O/N=C1/CCCc2occc21 Clc1cccc(Cl)c1[*:1] O=C(NC(=O)[*:1])O/N=C1/CCCc2occc21
Cc1cccc2[nH]cc(CCNC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)c12 CC(C)(C)[*:1] Cc1cccc2[nH]cc(CCNC(=O)N[C@@H]3CC(=O)N(C3)[*:1])c12
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1nnc(C(F)F)s1 FC(F)[*:1] CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1nnc(s1)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1nnc(C(F)F)s1 CC(C)[*:1] O=C(N[C@@H](C(=O)Nc1nnc(s1)C(F)F)[*:1])c1ccc(Cl)cc1Cl
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1nnc(C(F)F)s1 FC(F)c1nnc(s1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[*:1]
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1nnc(C(F)F)s1 Clc1ccc(c(Cl)c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)Nc1nnc(s1)C(F)F
NC(=O)C[C@@H]1CCCN(c2nc(-c3cccs3)nc3ccccc23)C1 c1csc(c1)[*:1] NC(=O)C[C@@H]1CCCN(C1)c1nc(nc2ccccc12)[*:1]
NC(=O)C[C@@H]1CCCN(c2nc(-c3cccs3)nc3ccccc23)C1 NC(=O)[*:1] c1csc(c1)-c1nc(c2ccccc2n1)N1CCC[C@H](C1)C[*:1]
NC(=O)C[C@@H]1CCCN(c2nc(-c3cccs3)nc3ccccc23)C1 NC(=O)C[*:1] c1csc(c1)-c1nc(c2ccccc2n1)N1CCC[C@H](C1)[*:1]
O=C([O-])CSCC(=O)N1CCN(c2ccc(F)cc2)CC1 O=C([O-])[*:1] O=C(CSC[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C([O-])CSCC(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([O-])CSCC(=O)N1CCN(CC1)[*:1]
O=C([O-])CSCC(=O)N1CCN(c2ccc(F)cc2)CC1 O=C([O-])C[*:1] O=C(CS[*:1])N1CCN(CC1)c1ccc(F)cc1
Cc1ccc2[nH+]c(CN3CCC[C@@H](c4[nH+]ccn4CC4CCC4)C3)cn2c1 C1CC(C1)C[*:1] Cc1ccc2[nH+]c(cn2c1)CN1CCC[C@H](C1)c1[nH+]ccn1[*:1]
Cc1ccc2[nH+]c(CN3CCC[C@@H](c4[nH+]ccn4CC4CCC4)C3)cn2c1 C1CC(C1)[*:1] Cc1ccc2[nH+]c(cn2c1)CN1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
COC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C COC(=O)C[*:1] Cc1ccc(c(C)c1)-n1c(nnc1-c1ccccn1)S[*:1]
COC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C c1ccc(nc1)[*:1] COC(=O)CSc1nnc(n1-c1ccc(C)cc1C)[*:1]
COC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C COC(=O)[*:1] Cc1ccc(c(C)c1)-n1c(nnc1-c1ccccn1)SC[*:1]
COC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C COC(=O)CS[*:1] Cc1ccc(c(C)c1)-n1c(nnc1[*:1])-c1ccccn1
COC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] COC(=O)CSc1nnc(-c2ccccn2)n1[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2C[C@H](O)COc1ccc(Cl)cc1 C1CCC(CC1)N[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2C[C@H](O)COc1ccc(Cl)cc1)[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2C[C@H](O)COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2C[C@H](O)CO[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2C[C@H](O)COc1ccc(Cl)cc1 C1CCC(CC1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N[*:1])n2C[C@H](O)COc1ccc(Cl)cc1
Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2C[C@H](O)COc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2C[C@H](O)C[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2C[C@H](O)COc1ccc(Cl)cc1 Clc1ccc(cc1)OC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2C[C@H](O)[*:1]
CC(C)[NH+](CCNC(=O)N1CCN(C(=O)c2ccncc2)CC1)C1CC1 CC(C)[*:1] O=C(NCC[NH+](C1CC1)[*:1])N1CCN(CC1)C(=O)c1ccncc1
CC(C)[NH+](CCNC(=O)N1CCN(C(=O)c2ccncc2)CC1)C1CC1 c1cc(ccn1)[*:1] CC(C)[NH+](CCNC(=O)N1CCN(CC1)C(=O)[*:1])C1CC1
COc1ccccc1NC(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C2=O)CC1 COc1ccccc1[*:1] Cc1ccc(cc1)CN1CCN(C1=O)C1CCN(CC1)C(=O)N[*:1]
COc1ccccc1NC(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C2=O)CC1 Cc1ccc(cc1)C[*:1] COc1ccccc1NC(=O)N1CCC(CC1)N1CCN(C1=O)[*:1]
COc1ccccc1NC(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C2=O)CC1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)N1CCC(CC1)N1CCN(C[*:1])C1=O
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](CC1)Cc1ccccc1)N[*:1]
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](CC1)[*:1]
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](CC1)C[*:1]
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1C Cc1ccc(cc1C)NC(=O)[*:1] O=C1NCCN(C(=O)CN2CC[NH+](CC2)Cc2ccccc2)[C@@H]1C[*:1]
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1c(F)cccc1F N#CC[*:1] C[C@H](Sc1ccccc1NC(=O)CCc1c(F)cccc1F)[*:1]
C[C@H](CC#N)Sc1ccccc1NC(=O)CCc1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@H](CC#N)Sc1ccccc1NC(=O)CC[*:1]
CN(Cc1ccnn1C)C(=O)c1c(C(=O)[O-])cnn1C O=C([O-])[*:1] CN(Cc1ccnn1C)C(=O)c1c(cnn1C)[*:1]
CN(Cc1ccnn1C)C(=O)c1c(C(=O)[O-])cnn1C Cn1nccc1[*:1] CN(C[*:1])C(=O)c1c(cnn1C)C(=O)[O-]
C[C@H](CCCO)NC(=O)N(Cc1ccccc1)C1CC1 OCC[*:1] C[C@H](C[*:1])NC(=O)N(Cc1ccccc1)C1CC1
C[C@H](CCCO)NC(=O)N(Cc1ccccc1)C1CC1 OCCC[*:1] C[C@H](NC(=O)N(Cc1ccccc1)C1CC1)[*:1]
C[C@H](CCCO)NC(=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] C[C@H](CCCO)NC(=O)N(C[*:1])C1CC1
C[C@H](CCCO)NC(=O)N(Cc1ccccc1)C1CC1 C1CC1[*:1] C[C@H](CCCO)NC(=O)N(Cc1ccccc1)[*:1]
C[C@H](CCCO)NC(=O)N(Cc1ccccc1)C1CC1 C[C@H](CCCO)[*:1] O=C(N[*:1])N(Cc1ccccc1)C1CC1
C[C@@H]([NH2+]CC/N=C(\O)c1ncccc1O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]([NH2+]CC/N=C(\O)c1ncccc1O)[*:1]
C[C@@H]([NH2+]CC/N=C(\O)c1ncccc1O)c1ccc(F)cc1 Oc1cccnc1[*:1] C[C@@H]([NH2+]CC/N=C(\O)[*:1])c1ccc(F)cc1
O=C([O-])c1cnccc1C(=O)Nc1ccc(Cl)c(Cl)c1 O=C([O-])[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)c1ccncc1[*:1]
CCOc1cccc(CNC(=O)c2ccc[nH]c2=O)c1 CCO[*:1] O=C(NCc1cccc(c1)[*:1])c1ccc[nH]c1=O
Cc1csc([C@@H](C)NC(=O)N(C)Cc2nc3ccccc3s2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)N(C)Cc1nc2ccccc2s1)[*:1]
COc1nn(C)cc1C(=O)NC[C@](O)(c1ccccc1)C1CC1 C1CC1[*:1] COc1nn(C)cc1C(=O)NC[C@](O)(c1ccccc1)[*:1]
COc1nn(C)cc1C(=O)NC[C@](O)(c1ccccc1)C1CC1 c1ccc(cc1)[*:1] COc1nn(C)cc1C(=O)NC[C@](O)(C1CC1)[*:1]
COC(=O)N1CCC[C@@H](C(=O)O[C@@H](C)c2ccccc2N(C)C)C1 CN(C)[*:1] COC(=O)N1CCC[C@H](C1)C(=O)O[C@@H](C)c1ccccc1[*:1]
CN(C)C(=O)C1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1 CN(C)C(=O)[*:1] O=C(NCCC(=O)N1CCC(CC1)[*:1])c1ccc(F)cc1F
CN(C)C(=O)C1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)CCNC(=O)[*:1]
CCCC[C@@H](C(=O)OC)N1CCN(c2cc(Cl)ncn2)CC1 Clc1cc(ncn1)[*:1] CCCC[C@@H](C(=O)OC)N1CCN(CC1)[*:1]
CCCC[C@@H](C(=O)OC)N1CCN(c2cc(Cl)ncn2)CC1 COC(=O)[*:1] CCCC[C@@H](N1CCN(CC1)c1cc(Cl)ncn1)[*:1]
CCCC[C@@H](C(=O)OC)N1CCN(c2cc(Cl)ncn2)CC1 CCC[*:1] COC(=O)[C@H](C[*:1])N1CCN(CC1)c1cc(Cl)ncn1
CCCC[C@@H](C(=O)OC)N1CCN(c2cc(Cl)ncn2)CC1 CCCC[*:1] COC(=O)[C@@H](N1CCN(CC1)c1cc(Cl)ncn1)[*:1]
CCNc1ccnc(N2CCC([C@@H](O)c3ccccn3)CC2)n1 c1ccc(nc1)[*:1] CCNc1ccnc(n1)N1CCC(CC1)[C@@H](O)[*:1]
CCNc1ccnc(N2CCC([C@@H](O)c3ccccn3)CC2)n1 CCN[*:1] O[C@@H](c1ccccn1)C1CCN(CC1)c1nccc(n1)[*:1]
O=C(NCc1nc2ccccc2[nH]1)[C@H]1NC(c2cccs2)=NO1 c1csc(c1)[*:1] O=C(NCc1nc2ccccc2[nH]1)[C@H]1NC(=NO1)[*:1]
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1Cl CSC[*:1] O=C(N[C@H](C[*:1])C(=O)Nc1ccccc1Cl)c1ccccc1Br
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N[*:1]
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1Cl Brc1ccccc1[*:1] CSCC[C@@H](NC(=O)[*:1])C(=O)Nc1ccccc1Cl
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1Cl CSCC[*:1] O=C(N[C@@H](C(=O)Nc1ccccc1Cl)[*:1])c1ccccc1Br
CN(Cc1cnn(C)c1)C(=O)c1cnc(Cc2ccccc2)s1 Cn1cc(cn1)C[*:1] CN(C(=O)c1cnc(Cc2ccccc2)s1)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] CN(Cc1cnn(C)c1)C(=O)c1cnc(s1)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] CN(Cc1cnn(C)c1)C(=O)c1cnc(C[*:1])s1
CN(Cc1cnn(C)c1)C(=O)c1cnc(Cc2ccccc2)s1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)c1cnc(Cc2ccccc2)s1
CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1ncc(C(C)C)o1 CC(=O)N[*:1] CC(C)c1cnc(CNc2cc(ccc2[*:1])C(F)(F)F)o1
CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1ncc(C(C)C)o1 CC(C)[*:1] CC(=O)Nc1ccc(cc1NCc1ncc(o1)[*:1])C(F)(F)F
CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1ncc(C(C)C)o1 FC(F)(F)[*:1] CC(=O)Nc1ccc(cc1NCc1ncc(o1)C(C)C)[*:1]
CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1ncc(C(C)C)o1 CC(C)c1cnc(o1)[*:1] CC(=O)Nc1ccc(cc1NC[*:1])C(F)(F)F
COCC[NH2+]CC/C=C(/C)c1cccc(Cl)c1 COCC[*:1] C/C(=C/CC[NH2+][*:1])c1cccc(Cl)c1
COCC[NH2+]CC/C=C(/C)c1cccc(Cl)c1 COC[*:1] C/C(=C/CC[NH2+]C[*:1])c1cccc(Cl)c1
Cc1cc(Br)ccc1SCC(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] Cc1cc(Br)ccc1SCC(=O)N(C)C[*:1]
Cc1cc(Br)ccc1SCC(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] Cc1cc(Br)ccc1SCC(=O)N(C)[*:1]
Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)s1 Cc1nnc(S[*:1])s1 C[C@@H](C(=O)Nc1ccc(cc1)OC(F)F)[*:1]
Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)s1 Cc1nnc(s1)[*:1] C[C@H](S[*:1])C(=O)Nc1ccc(cc1)OC(F)F
Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)s1 FC(F)[*:1] Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(cc2)O[*:1])s1
Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)s1 FC(F)O[*:1] Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(cc2)[*:1])s1
CC(=O)N1CCC(CCC(=O)N[C@@H](c2ccccc2)C(C)C)CC1 CC(C)[*:1] CC(=O)N1CCC(CCC(=O)N[C@@H](c2ccccc2)[*:1])CC1
CC(=O)N1CCC(CCC(=O)N[C@@H](c2ccccc2)C(C)C)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CCC(=O)N[C@@H](C(C)C)[*:1])CC1
[NH3+]C[C@H](Sc1cc2ccccc2[nH]1)c1ccccn1 c1ccc(nc1)[*:1] [NH3+]C[C@H](Sc1cc2ccccc2[nH]1)[*:1]
O=C(CCn1cncn1)NCc1ccc2c(c1)CCC2 c1ncn(n1)[*:1] O=C(CC[*:1])NCc1ccc2CCCc2c1
O=C(CCn1cncn1)NCc1ccc2c(c1)CCC2 c1ncn(C[*:1])n1 O=C(C[*:1])NCc1ccc2CCCc2c1
COc1cc(C[NH2+][C@H](CO)c2ccc(Cl)cc2)cc2c1OCO2 Clc1ccc(cc1)[*:1] COc1cc(cc2OCOc12)C[NH2+][C@H](CO)[*:1]
COC[C@@H](C)CC(=O)NCC(=O)C(C)C CC(C)[*:1] COC[C@@H](C)CC(=O)NCC(=O)[*:1]
COC[C@@H](C)CC(=O)NCC(=O)C(C)C COC[C@@H](C)[*:1] CC(C)C(=O)CNC(=O)C[*:1]
COC[C@@H](C)CC(=O)NCC(=O)C(C)C CC(C)C(=O)[*:1] COC[C@@H](C)CC(=O)NC[*:1]
COC[C@@H](C)CC(=O)NCC(=O)C(C)C COC[*:1] CC(C)C(=O)CNC(=O)C[C@H](C)[*:1]
NC(=O)NC(=O)CNc1ccccc1-c1cc(F)c(F)c(F)c1 NC(=O)NC(=O)C[*:1] Fc1cc(cc(F)c1F)-c1ccccc1N[*:1]
NC(=O)NC(=O)CNc1ccccc1-c1cc(F)c(F)c(F)c1 NC(=O)NC(=O)[*:1] Fc1cc(cc(F)c1F)-c1ccccc1NC[*:1]
CCCn1cc[nH+]c1[C@H](O)c1c(F)cc(Br)cc1F CCC[*:1] O[C@H](c1c(F)cc(Br)cc1F)c1[nH+]ccn1[*:1]
CCOc1cc(C)ccc1NC(=O)COc1ccc(N2CCCC2=O)cc1 CCO[*:1] Cc1ccc(NC(=O)COc2ccc(cc2)N2CCCC2=O)c(c1)[*:1]
CCOc1cc(C)ccc1NC(=O)COc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CCOc1cc(C)ccc1NC(=O)COc1ccc(cc1)[*:1]
CC[C@H](CSC)NC(=O)Nn1cnc2ccccc21 CSC[*:1] CC[C@H](NC(=O)Nn1cnc2ccccc21)[*:1]
COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C)o2)ccc1C Cc1ccc(o1)[*:1] COC(=O)c1cc(ccc1C)S(=O)(=O)N(C)C[*:1]
COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C)o2)ccc1C COC(=O)[*:1] Cc1ccc(CN(C)S(=O)(=O)c2ccc(C)c(c2)[*:1])o1
COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C)o2)ccc1C Cc1ccc(C[*:1])o1 COC(=O)c1cc(ccc1C)S(=O)(=O)N(C)[*:1]
Cc1cnn(C[C@@H](C)N[C@H](C(=O)NC(C)C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cnn(c1)C[C@@H](C)N[C@H](C(=O)NC(C)C)[*:1]
Cc1cnn(C[C@@H](C)N[C@H](C(=O)NC(C)C)c2ccccc2)c1 Cc1cnn(c1)[*:1] CC(C)NC(=O)[C@@H](N[C@H](C)C[*:1])c1ccccc1
Cc1cnn(C[C@@H](C)N[C@H](C(=O)NC(C)C)c2ccccc2)c1 Cc1cnn(c1)C[*:1] CC(C)NC(=O)[C@@H](N[C@H](C)[*:1])c1ccccc1
Cc1cnn(C[C@@H](C)N[C@H](C(=O)NC(C)C)c2ccccc2)c1 CC(C)NC(=O)[*:1] Cc1cnn(c1)C[C@@H](C)N[C@H](c1ccccc1)[*:1]
Cc1cnn(C[C@@H](C)N[C@H](C(=O)NC(C)C)c2ccccc2)c1 CC(C)[*:1] Cc1cnn(c1)C[C@@H](C)N[C@H](C(=O)N[*:1])c1ccccc1
CC(C)S(=O)(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] CC(C)S(=O)(=O)NCC1CCN(CC1)S(=O)(=O)[*:1]
CC(C)S(=O)(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 CC(C)[*:1] O=S(=O)(C1CC1)N1CCC(CC1)CNS(=O)(=O)[*:1]
CC(C)(C)[C@H]1OCC[C@H]1CNC(=O)c1c[nH]c2nccc(Cl)c12 CC(C)(C)[*:1] O=C(NC[C@@H]1CCO[C@@H]1[*:1])c1c[nH]c2nccc(Cl)c12
CC(C)[C@H](C(=O)N1C[C@H](C)O[C@H](C)C1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
CCCCNC(=O)C(=O)Nc1cccc(Cl)c1 CCC[*:1] O=C(NC[*:1])C(=O)Nc1cccc(Cl)c1
CCCCNC(=O)C(=O)Nc1cccc(Cl)c1 CCCC[*:1] O=C(Nc1cccc(Cl)c1)C(=O)N[*:1]
COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4nccs4)cc3)c(C(F)(F)F)oc2c1 FC(F)(F)[*:1] COc1ccc2c(=O)c(Oc3ccc(cc3)C(=O)Nc3nccs3)c(oc2c1)[*:1]
COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4nccs4)cc3)c(C(F)(F)F)oc2c1 O=C(Nc1nccs1)[*:1] COc1ccc2c(=O)c(Oc3ccc(cc3)[*:1])c(oc2c1)C(F)(F)F
COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4nccs4)cc3)c(C(F)(F)F)oc2c1 c1csc(n1)[*:1] COc1ccc2c(=O)c(Oc3ccc(cc3)C(=O)N[*:1])c(oc2c1)C(F)(F)F
CCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] CCNS(=O)(=O)c1ccc(C)c(c1)C(=O)NC1CC[NH+](CC1)[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CCNS(=O)(=O)c1ccc(C)c(c1)C(=O)NC1CC[NH+](CC1)C[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 CCNS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)NC1CC[NH+](CC1)Cc1ccccc1)[*:1]
C[S@@](=O)c1ccc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] C[S@@](=O)c1ccc(cc1)C(=O)NCc1[nH+]ccn1C[*:1]
C[S@@](=O)c1ccc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1 c1ccc(cc1)[*:1] C[S@@](=O)c1ccc(cc1)C(=O)NCc1[nH+]ccn1CC[*:1]
C[S@@](=O)c1ccc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] C[S@@](=O)c1ccc(cc1)C(=O)NCc1[nH+]ccn1[*:1]
Cc1coc(-c2cccc(NC(=O)C(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)c2)n1 Cc1coc(n1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1cnc2n(c1=O)C[C@H](C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CS2 O=[N+]([O-])[*:1] Cc1cnc2SC[C@H](Cn2c1=O)C(=O)Nc1cc(Cl)ccc1[*:1]
Cc1cccc(OCC[NH2+]Cc2nc3ccccc3n2C)c1 Cc1cccc(c1)[*:1] Cn1c(C[NH2+]CCO[*:1])nc2ccccc21
Cc1cc(=O)c(C(=O)Nc2c(F)cccc2F)nn1-c1ccccc1 Fc1cccc(F)c1[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)N[*:1]
Cc1cc(=O)c(C(=O)Nc2c(F)cccc2F)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)Nc1c(F)cccc1F
Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3oc3ccccc34)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=S(=O)(N1CCN(CC1)c1ncnc2c1oc1ccccc12)[*:1]
CCCC(=O)Nc1cccc(NC(=O)Cc2cccc3ccccc23)c1 CCCC(=O)N[*:1] O=C(Cc1cccc2ccccc12)Nc1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)Cc2cccc3ccccc23)c1 CCC[*:1] O=C(Cc1cccc2ccccc12)Nc1cccc(c1)NC(=O)[*:1]
C[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)C1 CC(C)(C)[*:1] C[C@@H]1CCCN(C1)C(=O)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
c1ccc(CSc2nnc(SCc3ccccc3)c3[nH]cnc23)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)CSc1nnc(S[*:1])c2nc[nH]c12
c1ccc(CSc2nnc(SCc3ccccc3)c3[nH]cnc23)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)CSc1nnc(SC[*:1])c2nc[nH]c12
c1ccc(CSc2nnc(SCc3ccccc3)c3[nH]cnc23)cc1 c1ccc(cc1)CS[*:1] c1ccc(cc1)CSc1nnc(c2nc[nH]c12)[*:1]
COc1cccc(NC(=O)COc2csc(C(=O)[O-])c2)c1 O=C([O-])[*:1] COc1cccc(c1)NC(=O)COc1csc(c1)[*:1]
C=CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1 C1CCC(C1)[*:1] C=CCSc1nnc(-c2cccc(c2)S(=O)(=O)N2CCOCC2)n1[*:1]
C=CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1 O=S(=O)(N1CCOCC1)[*:1] C=CCSc1nnc(-c2cccc(c2)[*:1])n1C1CCCC1
C=CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1 C=CCS[*:1] O=S(=O)(c1cccc(c1)-c1nnc(n1C1CCCC1)[*:1])N1CCOCC1
C=CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1 C=CC[*:1] O=S(=O)(c1cccc(c1)-c1nnc(S[*:1])n1C1CCCC1)N1CCOCC1
C[C@H]1C[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cncn1 c1ncn(n1)[*:1] C[C@H]1C[C@@H]1C(=O)Nc1cccc(Cl)c1[*:1]
O=C(NCCC(=O)N1CCCC1)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(NCCC(=O)N1CCCC1)Nc1ccn(n1)[*:1]
O=C(NCCC(=O)N1CCCC1)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCCC(=O)N1CCCC1)Nc1ccn(C[*:1])n1
O=C(NCCC(=O)N1CCCC1)Nc1ccn(Cc2ccccc2)n1 O=C(C[*:1])N1CCCC1 O=C(NC[*:1])Nc1ccn(Cc2ccccc2)n1
O=C(NCCC(=O)N1CCCC1)Nc1ccn(Cc2ccccc2)n1 O=C(N1CCCC1)[*:1] O=C(NCC[*:1])Nc1ccn(Cc2ccccc2)n1
Cc1nn(C)cc1C[NH+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 Cc1nn(C)cc1C[*:1] O=C(Cc1cccc(F)c1)N1CCC[NH+](CC1)[*:1]
Cc1nn(C)cc1C[NH+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] Cc1nn(C)cc1C[NH+]1CCCN(CC1)C(=O)[*:1]
Cc1nn(C)cc1C[NH+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 Cc1nn(C)cc1[*:1] O=C(Cc1cccc(F)c1)N1CCC[NH+](CC1)C[*:1]
Cc1nn(C)cc1C[NH+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] Cc1nn(C)cc1C[NH+]1CCCN(CC1)C(=O)C[*:1]
O=C(NC1CC1)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CC1)C(=O)N[C@@H](COc1ccccc1F)[*:1]
O=C(NC1CC1)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 Fc1ccccc1[*:1] O=C(NC1CC1)C(=O)N[C@@H](CO[*:1])c1ccccc1
O=C(NC1CC1)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 Fc1ccccc1O[*:1] O=C(NC1CC1)C(=O)N[C@@H](C[*:1])c1ccccc1
O=C(NC1CC1)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 C1CC1[*:1] O=C(N[C@@H](COc1ccccc1F)c1ccccc1)C(=O)N[*:1]
COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[NH+](Cc2cnn(C)c2C)C3)cc1 COc1ccc(cc1)C[*:1] Cc1c(cnn1C)C[NH+]1CCc2c(C1)c(nn2C[*:1])C(=O)N(C)C
COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[NH+](Cc2cnn(C)c2C)C3)cc1 COc1ccc(cc1)CC[*:1] Cc1c(cnn1C)C[NH+]1CCc2c(C1)c(nn2[*:1])C(=O)N(C)C
COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[NH+](Cc2cnn(C)c2C)C3)cc1 Cc1c(cnn1C)[*:1] COc1ccc(cc1)CCn1nc(C(=O)N(C)C)c2C[NH+](CCc21)C[*:1]
COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[NH+](Cc2cnn(C)c2C)C3)cc1 COc1ccc(cc1)[*:1] Cc1c(cnn1C)C[NH+]1CCc2c(C1)c(nn2CC[*:1])C(=O)N(C)C
COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[NH+](Cc2cnn(C)c2C)C3)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)CCn1nc(c2C[NH+](CCc21)Cc1cnn(C)c1C)[*:1]
C[C@H]([NH2+]Cc1cccc(OCC(F)F)n1)c1ccncc1 FC(F)[*:1] C[C@H]([NH2+]Cc1cccc(n1)OC[*:1])c1ccncc1
C[C@H]([NH2+]Cc1cccc(OCC(F)F)n1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H]([NH2+]Cc1cccc(n1)OCC(F)F)[*:1]
C[C@H]([NH2+]Cc1cccc(OCC(F)F)n1)c1ccncc1 FC(F)CO[*:1] C[C@H]([NH2+]Cc1cccc(n1)[*:1])c1ccncc1
C[C@H]([NH2+]Cc1cccc(OCC(F)F)n1)c1ccncc1 FC(F)C[*:1] C[C@H]([NH2+]Cc1cccc(n1)O[*:1])c1ccncc1
COc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c(F)c1 Fc1ccc(cc1)[*:1] COc1ccc(C(=O)N[C@H](CC(F)(F)F)[*:1])c(F)c1
COc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c(F)c1 FC(F)(F)[*:1] COc1ccc(C(=O)N[C@H](C[*:1])c2ccc(F)cc2)c(F)c1
COc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c(F)c1 FC(F)(F)C[*:1] COc1ccc(C(=O)N[C@H](c2ccc(F)cc2)[*:1])c(F)c1
C[C@H](Cc1cccs1)n1c(CCCl)nc2cccnc21 ClCC[*:1] C[C@H](Cc1cccs1)n1c(nc2cccnc21)[*:1]
C[C@H](Cc1cccs1)n1c(CCCl)nc2cccnc21 c1csc(c1)C[*:1] C[C@H](n1c(CCCl)nc2cccnc21)[*:1]
C[C@H](Cc1cccs1)n1c(CCCl)nc2cccnc21 c1csc(c1)[*:1] C[C@H](C[*:1])n1c(CCCl)nc2cccnc21
CC(C)(C)n1cc(Nc2cncc(C(N)=O)n2)cn1 CC(C)(C)[*:1] NC(=O)c1cncc(n1)Nc1cnn(c1)[*:1]
CC(C)(C)n1cc(Nc2cncc(C(N)=O)n2)cn1 NC(=O)[*:1] CC(C)(C)n1cc(cn1)Nc1cncc(n1)[*:1]
COC(=O)N/N=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1 O=C([O-])[*:1] COC(=O)N/N=C/c1ccc(o1)-c1cccc(c1)[*:1]
COC(=O)N/N=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1 COC(=O)NN=C[*:1] O=C([O-])c1cccc(c1)-c1ccc(o1)[*:1]
Cc1ccc(N2CCCC2=O)c(C(=O)NCC2(O)CCCCC2)c1 OC1(CCCCC1)C[*:1] Cc1ccc(c(c1)C(=O)N[*:1])N1CCCC1=O
Cc1ccc(N2CCCC2=O)c(C(=O)NCC2(O)CCCCC2)c1 OC1(CCCCC1)[*:1] Cc1ccc(c(c1)C(=O)NC[*:1])N1CCCC1=O
Cc1ccc(N2CCCC2=O)c(C(=O)NCC2(O)CCCCC2)c1 O=C1CCCN1[*:1] Cc1ccc(c(c1)C(=O)NCC1(O)CCCCC1)[*:1]
CN(Cc1cccs1)C(=O)CSc1ccc2ccccc2n1 c1csc(c1)[*:1] CN(C[*:1])C(=O)CSc1ccc2ccccc2n1
CN(Cc1cccs1)C(=O)CSc1ccc2ccccc2n1 c1csc(c1)C[*:1] CN(C(=O)CSc1ccc2ccccc2n1)[*:1]
Cc1ccc(NC(=O)CCOc2ccc(F)cc2Cl)nc1 Cc1ccc(nc1)[*:1] O=C(CCOc1ccc(F)cc1Cl)N[*:1]
CCN(CC(C)(C)O)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 CC(C)(O)C[*:1] CCN(C(=O)Nc1ccc(C(=O)[O-])c(O)c1)[*:1]
CCN(CC(C)(C)O)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)Nc1ccc(C(=O)[O-])c(O)c1
CCN(CC(C)(C)O)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 O=C([O-])[*:1] CCN(CC(C)(C)O)C(=O)Nc1ccc(c(O)c1)[*:1]
Cc1ncccc1NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C Cc1ncccc1[*:1] CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N[*:1]
Cc1ncccc1NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C CC(C)[*:1] Cc1ncccc1NC(=O)[C@@H](NC(=O)c1ccccc1F)[*:1]
Cc1ncccc1NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C Fc1ccccc1[*:1] Cc1ncccc1NC(=O)[C@@H](NC(=O)[*:1])C(C)C
CSc1nc(C2CC2)nc(C)c1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 C1CC1[*:1] CSc1nc(nc(C)c1C(=O)NC[C@]1(CCC[C@@H](C)C1)[NH+](C)C)[*:1]
O=C(Cc1ccccc1Br)N[C@@H]1CCc2c(O)cccc21 Brc1ccccc1[*:1] O=C(C[*:1])N[C@@H]1CCc2c(O)cccc21
CN(CCC#N)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 N#CCC[*:1] CN(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[*:1]
CN(CCC#N)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 FC(F)(F)[*:1] CN(CCC#N)C(=O)Nc1ccc(OC[*:1])c(C#N)c1
CN(CCC#N)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 FC(F)(F)CO[*:1] CN(CCC#N)C(=O)Nc1ccc(c(C#N)c1)[*:1]
CN(CCC#N)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 N#CC[*:1] CN(C[*:1])C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1
CN(CCC#N)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 FC(F)(F)C[*:1] CN(CCC#N)C(=O)Nc1ccc(O[*:1])c(C#N)c1
CN(C)C(=O)Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 CN(C)C(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)N1CCCC1=O
CN(C)C(=O)Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 O=C1CCCN1[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 CN(C)C(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc(cc1)N1CCCC1=O
Cc1csc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)n1 Clc1ccc(c(Cl)c1)[*:1] Cc1csc(n1)NC(=O)CSc1nnc(o1)[*:1]
Cc1csc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)n1 Cc1csc(n1)[*:1] O=C(CSc1nnc(o1)-c1ccc(Cl)cc1Cl)N[*:1]
CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C2CCCC2)c1 C1CCC(C1)[*:1] CC[C@H](C)NS(=O)(=O)Cc1cccc(c1)NC(=O)[*:1]
CCCCSCC(=O)Nc1ccc(OC)nc1 CCCCS[*:1] COc1ccc(cn1)NC(=O)C[*:1]
CCCCSCC(=O)Nc1ccc(OC)nc1 CCCC[*:1] COc1ccc(cn1)NC(=O)CS[*:1]
CCCCSCC(=O)Nc1ccc(OC)nc1 CCC[*:1] COc1ccc(cn1)NC(=O)CSC[*:1]
Cc1cnn(CCC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 Cc1cnn(c1)CC[*:1] O=C(N1CCC(CC1)c1nc2ccccc2o1)[*:1]
Cc1cnn(CCC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 Cc1cnn(c1)C[*:1] O=C(C[*:1])N1CCC(CC1)c1nc2ccccc2o1
Cc1cnn(CCC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 Cc1cnn(c1)[*:1] O=C(CC[*:1])N1CCC(CC1)c1nc2ccccc2o1
CN1CCO[C@H](C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1 CN1CCO[C@H](C1)[*:1] O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[*:1]
CCOc1ccc([C@@H](O)c2sccc2CC)cc1OCC CCc1ccsc1[*:1] CCOc1ccc(cc1OCC)[C@@H](O)[*:1]
CCOc1ccc([C@@H](O)c2sccc2CC)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])[C@@H](O)c1sccc1CC
CCOc1ccc([C@@H](O)c2sccc2CC)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])[C@@H](O)c1sccc1CC
CCOc1cc(/C=C(/C#N)c2ccc(F)cn2)cc(Cl)c1O CCO[*:1] N#C/C(=C/c1cc(Cl)c(O)c(c1)[*:1])c1ccc(F)cn1
CCOc1cc(/C=C(/C#N)c2ccc(F)cn2)cc(Cl)c1O Fc1ccc(nc1)[*:1] CCOc1cc(/C=C(/C#N)[*:1])cc(Cl)c1O
Cc1cc(OCC(=O)Nc2c(C)cccc2C)c2c3c(c(=O)oc2c1)CCCC3 Cc1cccc(C)c1[*:1] Cc1cc(OCC(=O)N[*:1])c2c3CCCCc3c(=O)oc2c1
COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)C)C[C@H]2C)cc1F CC(C)[*:1] COc1ccc(cc1F)C[NH2+][C@H]1CCN(C[C@H]1C)C(=O)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 COC(=O)C(C)(C)[*:1] Cc1ccc(cc1C)C(=O)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 COC(=O)[*:1] Cc1ccc(cc1C)C(=O)N1CCC[C@H](C1)C(C)(C)[*:1]
O=C(Nc1cccc(Cl)c1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 Clc1cccc(c1)[*:1] O=C(N[*:1])c1cccc(c1)NS(=O)(=O)c1ccc(F)cc1
O=C(Nc1cccc(Cl)c1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)c1cccc(c1)NS(=O)(=O)[*:1]
CCc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2 CC(=O)N[*:1] CCc1ccc2NC(=O)[C@H](c2c1)[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nc2ccc(F)cc2s1
COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 Fc1ccc2nc(sc2c1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2ccc(C)o2)=C([O-])C(=O)N1[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 Cc1ccc(o1)C(=O)[*:1] COc1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1c1nc2ccc(F)cc2s1)[*:1]
C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CC[C@@H](NC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccncc1 O=C1CCCN1[*:1] CC[C@@H](NC(=O)C(=O)Nc1cccc(c1)[*:1])c1ccncc1
CC[C@@H](NC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)C(=O)Nc1cccc(c1)N1CCCC1=O)[*:1]
Cc1cccn2c(=O)c(C(=O)NC[C@H](C)CCO)cnc12 OCC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NC[C@H](C)[*:1]
Cc1cccn2c(=O)c(C(=O)NC[C@H](C)CCO)cnc12 C[C@H](CCO)C[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N[*:1]
Cc1cccn2c(=O)c(C(=O)NC[C@H](C)CCO)cnc12 C[C@H](CCO)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NC[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 C=CC[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(c2)O[*:1])N1C[C@@H]1CCCO1
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] C=CCOc1cccc(c1)[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1C[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] C=CCOc1cccc(c1)[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 C=CCOc1cccc(c1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](N1C[C@@H]1CCCO1)[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 C=CCO[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(c2)[*:1])N1C[C@@H]1CCCO1
Cc1cncc(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])N1CCC(CC1)c1nc(no1)-c1ccccn1
Cc1cncc(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c1 c1ccc(nc1)[*:1] Cc1cncc(c1)NC(=O)N1CCC(CC1)c1nc(no1)[*:1]
Cc1ccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1S(N)(=O)=O c1ccn2cc(C[*:1])nc2c1 Cc1ccc(cc1S(N)(=O)=O)NC(=O)c1ccccc1O[*:1]
Cc1ccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccccc1OCc1cn2ccccc2n1
Cc1ccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1S(N)(=O)=O c1ccn2cc(nc2c1)[*:1] Cc1ccc(cc1S(N)(=O)=O)NC(=O)c1ccccc1OC[*:1]
CCC[C@H](C)NC(=O)c1cccs1 CCC[*:1] C[C@H](NC(=O)c1cccs1)[*:1]
CC(C)CN1C(=O)C2(CCCC2)NC12CC[NH+](Cc1ccccn1)CC2 CC(C)C[*:1] O=C1N(C2(CC[NH+](CC2)Cc2ccccn2)NC12CCCC2)[*:1]
CC(C)CN1C(=O)C2(CCCC2)NC12CC[NH+](Cc1ccccn1)CC2 CC(C)[*:1] O=C1N(C[*:1])C2(CC[NH+](CC2)Cc2ccccn2)NC12CCCC2
CC(C)CN1C(=O)C2(CCCC2)NC12CC[NH+](Cc1ccccn1)CC2 c1ccc(nc1)[*:1] CC(C)CN1C(=O)C2(CCCC2)NC12CC[NH+](CC2)C[*:1]
CC(C)CN1C(=O)C2(CCCC2)NC12CC[NH+](Cc1ccccn1)CC2 c1ccc(C[*:1])nc1 CC(C)CN1C(=O)C2(CCCC2)NC12CC[NH+](CC2)[*:1]
C[C@H](C(=O)NCc1cccc(OCC(F)F)n1)c1ccc2c(c1)OCCO2 FC(F)CO[*:1] C[C@H](C(=O)NCc1cccc(n1)[*:1])c1ccc2OCCOc2c1
C[C@H](C(=O)NCc1cccc(OCC(F)F)n1)c1ccc2c(c1)OCCO2 FC(F)[*:1] C[C@H](C(=O)NCc1cccc(n1)OC[*:1])c1ccc2OCCOc2c1
C[C@H](C(=O)NCc1cccc(OCC(F)F)n1)c1ccc2c(c1)OCCO2 FC(F)C[*:1] C[C@H](C(=O)NCc1cccc(n1)O[*:1])c1ccc2OCCOc2c1
C[C@H](C[NH2+]C1CC1)OCC(C)(C)[NH+](C)C C1CC1[NH2+][*:1] C[C@H](C[*:1])OCC(C)(C)[NH+](C)C
C[C@H](C[NH2+]C1CC1)OCC(C)(C)[NH+](C)C C1CC1[*:1] C[C@H](C[NH2+][*:1])OCC(C)(C)[NH+](C)C
C[C@H](C[NH2+]C1CC1)OCC(C)(C)[NH+](C)C C1CC1[NH2+]C[*:1] C[C@H](OCC(C)(C)[NH+](C)C)[*:1]
O=C(COc1ccc(F)cc1F)Nc1cccc(CC[NH+]2CCCC2)c1 Fc1ccc(c(F)c1)[*:1] O=C(CO[*:1])Nc1cccc(c1)CC[NH+]1CCCC1
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C CC(C)[*:1] Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@H](C)[*:1]
O=C(CC[NH+](CC1CC1)C1CCCCC1)N1CCCCC1 C1CC1C[*:1] O=C(CC[NH+](C1CCCCC1)[*:1])N1CCCCC1
O=C(CC[NH+](CC1CC1)C1CCCCC1)N1CCCCC1 C1CC1[*:1] O=C(CC[NH+](C[*:1])C1CCCCC1)N1CCCCC1
O=C(CC[NH+](CC1CC1)C1CCCCC1)N1CCCCC1 C1CCC(CC1)[*:1] O=C(CC[NH+](CC1CC1)[*:1])N1CCCCC1
Cc1cccc([C@H](C)CNC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)N1CCCC[C@H](C1)N1CC[NH+](C)CC1)[*:1]
Cc1cccc([C@H](C)CNC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 Cc1cccc(c1)[C@H](C)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NC[*:1]
C[C@@H](C(=O)N[C@H](C)CN1CCOCC1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)N[C@H](C)CN1CCOCC1)[*:1]
C[C@@H](C(=O)N[C@H](C)CN1CCOCC1)n1cncn1 C1CN(CCO1)[*:1] C[C@@H](C(=O)N[C@H](C)C[*:1])n1cncn1
CCN(CC)c1ccc2cc(-c3nnc(-c4cccnc4)o3)c(=O)oc2c1 c1cncc(c1)[*:1] CCN(CC)c1ccc2cc(-c3nnc(o3)[*:1])c(=O)oc2c1
CCN(CC)c1ccc2cc(-c3nnc(-c4cccnc4)o3)c(=O)oc2c1 CCN(CC)[*:1] O=c1oc2cc(ccc2cc1-c1nnc(o1)-c1cccnc1)[*:1]
CC(=O)O[C@H](C(=O)NC1CCCC1)c1ccncc1 C1CCC(C1)[*:1] CC(=O)O[C@H](C(=O)N[*:1])c1ccncc1
CC(=O)O[C@H](C(=O)NC1CCCC1)c1ccncc1 CC(=O)O[*:1] O=C(NC1CCCC1)[C@H](c1ccncc1)[*:1]
CC(=O)O[C@H](C(=O)NC1CCCC1)c1ccncc1 c1cc(ccn1)[*:1] CC(=O)O[C@H](C(=O)NC1CCCC1)[*:1]
Fc1ccc([C@H]2C[NH2+]CC[C@H]2c2cccnc2)cc1 c1cncc(c1)[*:1] Fc1ccc(cc1)[C@H]1C[NH2+]CC[C@@H]1[*:1]
CCC[C@@H](NC(=O)CSc1nc2ccccc2n(C)c1=O)c1cccs1 c1csc(c1)[*:1] CCC[C@@H](NC(=O)CSc1nc2ccccc2n(C)c1=O)[*:1]
CCC[C@@H](NC(=O)CSc1nc2ccccc2n(C)c1=O)c1cccs1 CCC[*:1] Cn1c(=O)c(nc2ccccc21)SCC(=O)N[C@@H](c1cccs1)[*:1]
C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1C(F)(F)F)[*:1]
C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)c1ccccc1[*:1])c1ccc(Cl)cc1
O=C(/C=C/c1ccccc1Br)Nc1ccnn1C1CCCC1 Brc1ccccc1[*:1] O=C(C=C[*:1])Nc1ccnn1C1CCCC1
O=C(/C=C/c1ccccc1Br)Nc1ccnn1C1CCCC1 C1CCC(C1)[*:1] O=C(/C=C/c1ccccc1Br)Nc1ccnn1[*:1]
CCn1c([C@@H](C)N[C@@H](C)C(=O)N2CCOCC2)nc2ccccc21 O=C(N1CCOCC1)[*:1] CCn1c(nc2ccccc21)[C@@H](C)N[C@@H](C)[*:1]
CCC(CC)(CNC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C O=[N+]([O-])[*:1] CCC(CC)(CNC(=O)Nc1ccccc1[*:1])[NH+](C)C
COc1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccccc4)N23)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](N12)[*:1]
COc1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccccc4)N23)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1N=C([C@@H]2[C@@H](c3ccccc3)N12)[*:1]
CCCn1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1C O=[N+]([O-])[*:1] CCCn1c(C)cc(C(=O)Cn2cc(cc(C(N)=O)c2=O)[*:1])c1C
CCCn1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1C NC(=O)[*:1] CCCn1c(C)cc(C(=O)Cn2cc(cc(c2=O)[*:1])[N+](=O)[O-])c1C
CCCn1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1C CCC[*:1] Cc1cc(C(=O)Cn2cc(cc(C(N)=O)c2=O)[N+](=O)[O-])c(C)n1[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-n2ccnc2)nc1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1ccc(nc1)-n1ccnc1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(nc1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-n2ccnc2)nc1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(nc1)-n1ccnc1
CCn1cc(NC(=O)C(=O)N[C@@H](c2ncccc2C)C(C)C)ccc1=O CC(C)[*:1] CCn1cc(ccc1=O)NC(=O)C(=O)N[C@@H](c1ncccc1C)[*:1]
CCn1cc(NC(=O)C(=O)N[C@@H](c2ncccc2C)C(C)C)ccc1=O Cc1cccnc1[*:1] CCn1cc(ccc1=O)NC(=O)C(=O)N[C@@H](C(C)C)[*:1]
CCc1ccc(C(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 CC(=O)[*:1] CCc1ccc(cc1)C(=O)COC(=O)c1[nH]c(C)c(c1C)[*:1]
CCc1ccc(C(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 CCc1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)[*:1])c1C
CC(C)c1nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2[nH]1 CC(C)[*:1] Clc1ccc2oc(nc2c1)-c1ccc2nc([nH]c2c1)[*:1]
COc1ncnc(N2CCCC[C@H]2CC(=O)[O-])c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ncnc(c1[*:1])N1CCCC[C@H]1CC(=O)[O-]
COc1ncnc(N2CCCC[C@H]2CC(=O)[O-])c1[N+](=O)[O-] O=C([O-])C[*:1] COc1ncnc(c1[N+](=O)[O-])N1CCCC[C@@H]1[*:1]
COc1ncnc(N2CCCC[C@H]2CC(=O)[O-])c1[N+](=O)[O-] O=C([O-])[*:1] COc1ncnc(c1[N+](=O)[O-])N1CCCC[C@H]1C[*:1]
Cc1nc(C)c(C(=O)NCC2(c3cccs3)CCCCC2)s1 Cc1nc(C)c(s1)[*:1] O=C(NCC1(CCCCC1)c1cccs1)[*:1]
Cc1nc(C)c(C(=O)NCC2(c3cccs3)CCCCC2)s1 c1csc(c1)[*:1] Cc1nc(C)c(s1)C(=O)NCC1(CCCCC1)[*:1]
CC(C)Oc1ccc(Cl)cc1C(=O)N1CC[C@H](C)[C@H](O)C1 CC(C)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1cc(Cl)ccc1O[*:1]
CC(C)Oc1ccc(Cl)cc1C(=O)N1CC[C@H](C)[C@H](O)C1 CC(C)O[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1cc(Cl)ccc1[*:1]
Cn1nc(CNC(=O)c2cnc3ccccc3n2)cc1-c1ccncc1 c1cc(ccn1)[*:1] Cn1nc(cc1[*:1])CNC(=O)c1cnc2ccccc2n1
CC(C)(C)OC(=O)N1CCC[C@@]2(CO2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@]2(CO2)C1
O=C1NCC(=O)N2CCN(C(=O)c3cnnn3-c3ccccc3)C[C@@H]12 c1ccc(cc1)[*:1] O=C1NCC(=O)N2CCN(C[C@@H]12)C(=O)c1cnnn1[*:1]
C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC1CCCC1 C1CCC(C1)[*:1] C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)O[*:1]
C[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 O=C(N[*:1])c1cccs1 C[C@@H](C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
C[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] C[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(CC1)C(=O)O[*:1]
C[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 c1csc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
O=C(Nc1cccnc1-n1cncn1)NC1(CO)CCCC1 c1ncn(n1)[*:1] O=C(Nc1cccnc1[*:1])NC1(CO)CCCC1
O=C(Nc1cccnc1-n1cncn1)NC1(CO)CCCC1 OCC1(CCCC1)[*:1] O=C(Nc1cccnc1-n1cncn1)N[*:1]
COc1ccccc1NC(=O)C1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)C1(CCC1)[*:1]
COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc(OC)c1OC Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2[*:1]
CC(=O)Nc1nc(C(=O)N2C[C@H]3CCc4c(nc(N5CCCC5)[nH]c4=O)[C@H]3C2)cs1 CC(=O)N[*:1] O=C(c1csc(n1)[*:1])N1C[C@H]2CCc3c(nc([nH]c3=O)N3CCCC3)[C@H]2C1
CC(=O)Nc1nc(C(=O)N2C[C@H]3CCc4c(nc(N5CCCC5)[nH]c4=O)[C@H]3C2)cs1 C1CCN(C1)[*:1] CC(=O)Nc1nc(cs1)C(=O)N1C[C@H]2CCc3c(nc([nH]c3=O)[*:1])[C@H]2C1
CC(=O)Nc1nc(C(=O)N2C[C@H]3CCc4c(nc(N5CCCC5)[nH]c4=O)[C@H]3C2)cs1 CC(=O)Nc1nc(cs1)[*:1] O=C(N1C[C@H]2CCc3c(nc([nH]c3=O)N3CCCC3)[C@H]2C1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)c2cccc(F)c2Cl)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)c1cccc(F)c1Cl
CCCC(=O)Nc1cccc(NC(=O)c2cccc(F)c2Cl)c1C CCC[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)c1cccc(F)c1Cl
CCCC(=O)Nc1cccc(NC(=O)c2cccc(F)c2Cl)c1C Fc1cccc(c1Cl)[*:1] CCCC(=O)Nc1cccc(NC(=O)[*:1])c1C
CC(C)CC(=O)N1C[C@@H](O)[C@H](C)C1 CC(C)C[*:1] C[C@@H]1CN(C[C@H]1O)C(=O)[*:1]
CC(C)CC(=O)N1C[C@@H](O)[C@H](C)C1 CC(C)[*:1] C[C@@H]1CN(C[C@H]1O)C(=O)C[*:1]
COc1ccc(C(NC(=O)/C=C/C2CC2)c2ccc(OC)cc2)cc1 O=C(/C=C/C1CC1)N[*:1] COc1ccc(cc1)C(c1ccc(cc1)OC)[*:1]
COc1ccc(C(NC(=O)/C=C/C2CC2)c2ccc(OC)cc2)cc1 C1CC1[*:1] COc1ccc(cc1)C(NC(=O)C=C[*:1])c1ccc(cc1)OC
COc1ccc(C(NC(=O)/C=C/C2CC2)c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C(NC(=O)/C=C/C1CC1)[*:1]
COc1ccc(C(NC(=O)/C=C/C2CC2)c2ccc(OC)cc2)cc1 C(=C[*:1])C1CC1 COc1ccc(cc1)C(NC(=O)[*:1])c1ccc(cc1)OC
[NH2+]=C(Nc1ccc(Cl)c(Br)c1)NC1CC1 C1CC1[*:1] [NH2+]=C(Nc1ccc(Cl)c(Br)c1)N[*:1]
Cc1ccc(CNC(=O)c2sc(-n3cccc3)nc2C)cc1 c1ccn(c1)[*:1] Cc1ccc(cc1)CNC(=O)c1sc(nc1C)[*:1]
Cc1ccc(CNC(=O)c2sc(-n3cccc3)nc2C)cc1 Cc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NC[*:1])-n1cccc1
CC[C@@]1(C(C)C)NC(=O)N(Cc2ccccc2Cl)C1=O CC(C)[*:1] CC[C@]1(NC(=O)N(Cc2ccccc2Cl)C1=O)[*:1]
O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](CN1[*:1])c1nc2ccccc2n1Cc1ccccc1Cl
O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1c1ccc(F)cc1 Clc1ccccc1[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1C[*:1]
O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1c1ccc(F)cc1 Clc1ccccc1C[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1[*:1]
C[C@@H](C(=O)N1CCCC1)N(c1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCCC1)N(S(C)(=O)=O)[*:1]
COc1ccc(CNC(=S)N(C)c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=S)N(C)[*:1]
CC1CCN(c2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2N)CC1 FC(F)(F)[*:1] CC1CCN(CC1)c1ncnc(Nc2ncc(cc2Cl)[*:1])c1N
CC1CCN(c2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2N)CC1 CC1CCN(CC1)[*:1] Nc1c(ncnc1[*:1])Nc1ncc(cc1Cl)C(F)(F)F
CS(=O)(=O)Cc1ccc(NC(=O)NNc2ccc(F)cc2)cc1F CS(=O)(=O)C[*:1] O=C(NNc1ccc(F)cc1)Nc1ccc(c(F)c1)[*:1]
CS(=O)(=O)Cc1ccc(NC(=O)NNc2ccc(F)cc2)cc1F CS(=O)(=O)[*:1] O=C(NNc1ccc(F)cc1)Nc1ccc(C[*:1])c(F)c1
CS(=O)(=O)Cc1ccc(NC(=O)NNc2ccc(F)cc2)cc1F Fc1ccc(cc1)[*:1] CS(=O)(=O)Cc1ccc(cc1F)NC(=O)NN[*:1]
O=C1N=C(c2ccccc2O)N=C2c3ccccc3O[C@@H]12 Oc1ccccc1[*:1] O=C1N=C(N=C2c3ccccc3O[C@@H]12)[*:1]
CCCNC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F COc1cccc(c1)[*:1] CCCNC(=O)c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)[*:1]
CCCNC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F CCC[*:1] COc1cccc(c1)[C@@H]1C[C@H](n2ncc(C(=O)N[*:1])c2N1)C(F)(F)F
CCCNC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F CCCNC(=O)[*:1] COc1cccc(c1)[C@@H]1C[C@H](n2ncc(c2N1)[*:1])C(F)(F)F
CCCNC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F FC(F)(F)[*:1] CCCNC(=O)c1cnn2c1N[C@@H](C[C@@H]2[*:1])c1cccc(c1)OC
CCC(O)(CC)C(=O)NN(C(=O)c1csc(C)c1)c1ccccc1 CCC(O)(CC)[*:1] Cc1cc(cs1)C(=O)N(NC(=O)[*:1])c1ccccc1
CCC(O)(CC)C(=O)NN(C(=O)c1csc(C)c1)c1ccccc1 Cc1cc(cs1)[*:1] CCC(O)(CC)C(=O)NN(C(=O)[*:1])c1ccccc1
CCC(O)(CC)C(=O)NN(C(=O)c1csc(C)c1)c1ccccc1 c1ccc(cc1)[*:1] CCC(O)(CC)C(=O)NN(C(=O)c1csc(C)c1)[*:1]
CC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 CC(C)(C)[*:1] CC(=O)c1ccc2CN(Cc2c1)C(=O)O[*:1]
CC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 CC(=O)[*:1] CC(C)(C)OC(=O)N1Cc2ccc(cc2C1)[*:1]
CC(C)[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccccc1 NC(=O)[*:1] CC(C)[C@@H](N[C@H](c1ccccc1)[*:1])c1ccccc1
CC(C)[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccccc1 CC(C)[*:1] NC(=O)[C@@H](N[C@@H](c1ccccc1)[*:1])c1ccccc1
CC(C)[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](N[C@H](C(N)=O)[*:1])c1ccccc1
CC(C)[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](N[C@H](C(N)=O)c1ccccc1)[*:1]
C[C@@H]1C[C@@]2(C[C@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1 Clc1ccccc1[*:1] C[C@@H]1C[C@@]2(C[C@@](C)(OC2=O)C(=O)CSc2nc(n[nH]2)[*:1])C(=O)O1
O=C(NCC(=O)N(Cc1ccco1)C1CCCC1)NCc1ccco1 c1coc(c1)C[*:1] O=C(NCC(=O)N(Cc1ccco1)C1CCCC1)N[*:1]
O=C(NCC(=O)N(Cc1ccco1)C1CCCC1)NCc1ccco1 c1coc(c1)C[*:1] O=C(NCC(=O)N(C1CCCC1)[*:1])NCc1ccco1
O=C(NCC(=O)N(Cc1ccco1)C1CCCC1)NCc1ccco1 c1coc(c1)[*:1] O=C(NCC(=O)N(Cc1ccco1)C1CCCC1)NC[*:1]
O=C(NCC(=O)N(Cc1ccco1)C1CCCC1)NCc1ccco1 c1coc(c1)[*:1] O=C(NCC(=O)N(C[*:1])C1CCCC1)NCc1ccco1
O=C(NCC(=O)N(Cc1ccco1)C1CCCC1)NCc1ccco1 C1CCC(C1)[*:1] O=C(NCC(=O)N(Cc1ccco1)[*:1])NCc1ccco1
O=C(c1cnn2cccnc12)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=C(c1cnn2cccnc12)N1CCN(CC1)C[*:1]
O=C(c1cnn2cccnc12)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(c1cnn2cccnc12)N1CCN(CC1)CC[*:1]
O=C(c1cnn2cccnc12)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cnn2cccnc12)N1CCN(CCO[*:1])CC1
CCc1ccc(-c2nc(CS(=O)(=O)c3nc(C)cs3)cs2)cc1 Cc1csc(n1)[*:1] CCc1ccc(cc1)-c1nc(cs1)CS(=O)(=O)[*:1]
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ncccn1 O=C([O-])[*:1] O=C(Nc1ncccn1)[C@@H]1CCCC[C@H]1[*:1]
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ncccn1 c1cnc(nc1)[*:1] O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N[*:1]
Cc1nnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccncc2)s1 Cc1nnc(s1)[*:1] Cc1cc2oc3C(=O)N([C@@H](c4ccncc4)c3c(=O)c2cc1C)[*:1]
Cc1nnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccncc2)s1 c1cc(ccn1)[*:1] Cc1nnc(s1)N1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1[*:1]
CC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 Cc1ccccc1[*:1] CC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@@H]2[*:1])CC1
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccnc1C(F)(F)F FC(F)(F)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)c1cccnc1[*:1]
CCCNc1ncc(C[NH+](C)CC(=O)N(C)C)s1 CCC[*:1] CN(C)C(=O)C[NH+](C)Cc1cnc(N[*:1])s1
CCCNc1ncc(C[NH+](C)CC(=O)N(C)C)s1 CCCN[*:1] CN(C)C(=O)C[NH+](C)Cc1cnc(s1)[*:1]
CCCNc1ncc(C[NH+](C)CC(=O)N(C)C)s1 CN(C)C(=O)C[*:1] CCCNc1ncc(C[NH+](C)[*:1])s1
CCCNc1ncc(C[NH+](C)CC(=O)N(C)C)s1 CN(C)C(=O)[*:1] CCCNc1ncc(C[NH+](C)C[*:1])s1
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)OC)cc2F)C1 COC(=O)[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)Nc1ccc(cc1F)[*:1]
C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ncccc3Cl)n2)[C@@H]1CO Clc1cccnc1[*:1] C[C@@H]1CCCN(C(=O)Nc2ccn(n2)[*:1])[C@@H]1CO
C=CCn1c(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)nnc1[C@H]1COc2ccccc2O1 C=CC[*:1] C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1[*:1])C(=O)N1CC(=O)Nc2ccccc21
C=CCn1c(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)nnc1[C@H]1COc2ccccc2O1 c1ccc2O[C@H](COc2c1)[*:1] C=CCn1c(nnc1[*:1])S[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21
CCc1ccccc1NC(=S)NCCc1c[nH]c2cc(F)ccc12 CCc1ccccc1[*:1] Fc1ccc2c(c[nH]c2c1)CCNC(=S)N[*:1]
O=C([O-])c1ccc2nc(-c3ccc[nH]3)[nH]c2c1 c1c[nH]c(c1)[*:1] O=C([O-])c1ccc2nc([nH]c2c1)[*:1]
O=C([O-])c1ccc2nc(-c3ccc[nH]3)[nH]c2c1 O=C([O-])[*:1] c1c[nH]c(c1)-c1nc2ccc(cc2[nH]1)[*:1]
COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(C)C COC(=O)[*:1] CC(C)[C@@H](C)[NH2+][C@H](Cc1ccccc1)[*:1]
COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(C)C CC(C)[*:1] COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)[*:1]
COC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(C)C c1ccc(cc1)[*:1] COC(=O)[C@@H](C[*:1])[NH2+][C@H](C)C(C)C
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1cc(C#N)ccc1F N#Cc1ccc(F)c(c1)[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[*:1]
CC(=O)Nc1c(C)cc(NC(=O)c2ccccn2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)c1ccccn1
CC(=O)Nc1c(C)cc(NC(=O)c2ccccn2)cc1C c1ccc(nc1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)[*:1]
O=C(/C=C/c1c(Cl)nc2sccn12)N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)N1CCN(CC1)C(=O)[*:1]
O=C([O-])c1cccc(Nc2nc(-c3ccc(F)cc3F)cs2)c1 O=C([O-])[*:1] Fc1ccc(-c2csc(n2)Nc2cccc(c2)[*:1])c(F)c1
C[C@H](c1nc(-c2cccs2)no1)N(C)CCc1cccs1 c1csc(c1)[*:1] C[C@H](c1nc(no1)-c1cccs1)N(C)CC[*:1]
C[C@H](c1nc(-c2cccs2)no1)N(C)CCc1cccs1 c1csc(c1)CC[*:1] C[C@H](c1nc(no1)-c1cccs1)N(C)[*:1]
C[C@H](c1nc(-c2cccs2)no1)N(C)CCc1cccs1 c1csc(c1)C[*:1] C[C@H](c1nc(no1)-c1cccs1)N(C)C[*:1]
C[C@H](c1nc(-c2cccs2)no1)N(C)CCc1cccs1 c1csc(c1)[*:1] C[C@H](c1nc(no1)[*:1])N(C)CCc1cccs1
O=C(NCc1cccnc1)C1CCCC1 C1CCC(C1)[*:1] O=C(NCc1cccnc1)[*:1]
[NH3+]CCOCCN1CCSCC1 [NH3+]CC[*:1] C(CN1CCSCC1)O[*:1]
[NH3+]CCOCCN1CCSCC1 [NH3+]CCO[*:1] C1CN(CCS1)CC[*:1]
COC1CCN(C(=O)Cc2sc(C)nc2-c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COC1CCN(CC1)C(=O)Cc1sc(C)nc1[*:1]
COc1ccc2ccc(Oc3ncccc3[N+](=O)[O-])cc2c1 O=[N+]([O-])[*:1] COc1ccc2ccc(cc2c1)Oc1ncccc1[*:1]
CCCCN(C)c1ncnc(Oc2cccc3cccnc23)c1N CCCCN(C)[*:1] Nc1c(ncnc1[*:1])Oc1cccc2cccnc12
CCCCN(C)c1ncnc(Oc2cccc3cccnc23)c1N CCCC[*:1] CN(c1ncnc(Oc2cccc3cccnc23)c1N)[*:1]
CCCCN(C)c1ncnc(Oc2cccc3cccnc23)c1N CCC[*:1] CN(C[*:1])c1ncnc(Oc2cccc3cccnc23)c1N
CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1ccc(Cl)cc1Cl)n2C CCC[*:1] Cn1c(COc2ccc(Cl)cc2Cl)nc2c1c(=O)[nH]c(=O)n2C[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1ccc(Cl)cc1Cl)n2C Clc1ccc(c(Cl)c1)[*:1] CCCCn1c(=O)[nH]c(=O)c2c1nc(CO[*:1])n2C
CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1ccc(Cl)cc1Cl)n2C CCCC[*:1] Cn1c(COc2ccc(Cl)cc2Cl)nc2c1c(=O)[nH]c(=O)n2[*:1]
CCCOc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1OC CC1CCN(CC1)C(=O)[*:1] CCCOc1ccc(cc1OC)C[NH+]1CCC(CC1)[*:1]
CCCOc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1OC CCC[*:1] COc1cc(ccc1O[*:1])C[NH+]1CCC(CC1)C(=O)N1CCC(C)CC1
CCCOc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1OC CCCO[*:1] COc1cc(ccc1[*:1])C[NH+]1CCC(CC1)C(=O)N1CCC(C)CC1
C[C@H](N)C(=O)Oc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](N)C(=O)Oc1ccc(cc1)[*:1]
C[C@H](N)C(=O)Oc1ccc([N+](=O)[O-])cc1 C[C@H](N)[*:1] O=C(Oc1ccc(cc1)[N+](=O)[O-])[*:1]
CCN(CCC(F)(F)F)Cc1csc(C)n1 FC(F)(F)[*:1] CCN(CC[*:1])Cc1csc(C)n1
CCN(CCC(F)(F)F)Cc1csc(C)n1 FC(F)(F)C[*:1] CCN(Cc1csc(C)n1)C[*:1]
C[C@H](O)CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](O)CSc1nc2c(c(=O)n(c(=O)n2C)[*:1])n1Cc1ccccc1
C[C@H](O)CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](O)CSc1nc2c(c(=O)n(C[*:1])c(=O)n2C)n1Cc1ccccc1
C[C@H](O)CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](O)CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C[*:1]
C[C@H](O)CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](O)CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N2CCS[C@H](C(C)C)C2)c1 CN(C)C(=O)N[*:1] Cc1ccc(c(c1)C(=O)N1CCS[C@@H](C1)C(C)C)[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N2CCS[C@H](C(C)C)C2)c1 CC(C)[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N1CCS[C@H](C1)[*:1]
CCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C(C)(C)C CC(C)(C)C(=O)N[*:1] CCc1[nH]nc(-c2ccc(cc2)C(F)(F)F)c1[*:1]
CCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C(C)(C)C FC(F)(F)[*:1] CCc1[nH]nc(-c2ccc(cc2)[*:1])c1NC(=O)C(C)(C)C
CCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C(C)(C)C CC(C)(C)[*:1] CCc1[nH]nc(-c2ccc(cc2)C(F)(F)F)c1NC(=O)[*:1]
O=C1c2cc(F)ccc2CN1C[NH+]1CCC(c2nnc3ccccn23)CC1 c1ccn2c(nnc2c1)[*:1] O=C1c2cc(F)ccc2CN1C[NH+]1CCC(CC1)[*:1]
CCC(=O)/N=c1\sc2cc(OC)c(OC)cc2n1CCOC COC[*:1] CCC(=O)/N=c1\sc2cc(OC)c(cc2n1C[*:1])OC
CCC(=O)/N=c1\sc2cc(OC)c(OC)cc2n1CCOC COCC[*:1] CCC(=O)/N=c1\sc2cc(OC)c(cc2n1[*:1])OC
Cc1cc(I)ccc1NC(=O)COC(=O)CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(I)ccc1NC(=O)COC(=O)C[*:1]
Cc1cc(I)ccc1NC(=O)COC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(I)ccc1NC(=O)COC(=O)CC[*:1]
O=C1c2ccccc2C[C@@H]1[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C1c2ccccc2C[C@H]1[*:1]
O=C(NC[C@H]1CC=CCC1)N1CCC(OC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] O=C(NC[C@H]1CC=CCC1)N1CCC(CC1)OC[*:1]
O=C(NC[C@H]1CC=CCC1)N1CCC(OC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)CO[*:1] O=C(NC[C@H]1CC=CCC1)N1CCC(CC1)[*:1]
O=C(NC[C@H]1CC=CCC1)N1CCC(OC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] O=C(NC[C@H]1CC=CCC1)N1CCC(CC1)O[*:1]
CC(=O)Nc1ccc(CNC[C@@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)CNC[C@@H](O)[*:1]
CC(=O)Nc1ccc(CNC[C@@H](O)c2ccccc2)cc1 CC(=O)N[*:1] O[C@H](CNCc1ccc(cc1)[*:1])c1ccccc1
CC(=NNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] CC(=NNC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(=NNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=NNC(=O)c1ccccc1)c1ccc(cc1)[*:1]
COc1ccc(N2CC[C@H](C(=O)[O-])C2=O)cc1 O=C([O-])[*:1] COc1ccc(cc1)N1CC[C@H](C1=O)[*:1]
CCC[C@H]([NH3+])c1ccn(CCO)c1 OCC[*:1] CCC[C@H]([NH3+])c1ccn(c1)[*:1]
CCC[C@H]([NH3+])c1ccn(CCO)c1 CCC[*:1] [NH3+][C@H](c1ccn(c1)CCO)[*:1]
COc1ccc(NC(=O)C2CCCCC2)cc1-n1nnnc1C C1CCC(CC1)[*:1] COc1ccc(cc1-n1nnnc1C)NC(=O)[*:1]
COc1ccc(NC(=O)C2CCCCC2)cc1-n1nnnc1C Cc1nnnn1[*:1] COc1ccc(cc1[*:1])NC(=O)C1CCCCC1
CC(C)n1nccc1NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C c1ccc(cc1)C[*:1] CC(C)n1nccc1NC(=O)N1CCN(C[C@H]1C)[*:1]
CC(C)n1nccc1NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C CC(C)[*:1] C[C@@H]1CN(CCN1C(=O)Nc1ccnn1[*:1])Cc1ccccc1
CC(C)n1nccc1NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C CC(C)n1nccc1[*:1] C[C@@H]1CN(CCN1C(=O)N[*:1])Cc1ccccc1
CC(C)n1nccc1NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C c1ccc(cc1)[*:1] CC(C)n1nccc1NC(=O)N1CCN(C[C@H]1C)C[*:1]
C[C@H](CNC(=O)NCC(C)(C)C(N)=O)Sc1ccccc1 CC(C)(C[*:1])C(N)=O C[C@H](CNC(=O)N[*:1])Sc1ccccc1
C[C@H](CNC(=O)NCC(C)(C)C(N)=O)Sc1ccccc1 NC(=O)[*:1] C[C@H](CNC(=O)NCC(C)(C)[*:1])Sc1ccccc1
C[C@H](CNC(=O)NCC(C)(C)C(N)=O)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)NCC(C)(C)C(N)=O)S[*:1]
C[C@H](CNC(=O)NCC(C)(C)C(N)=O)Sc1ccccc1 c1ccc(cc1)S[*:1] C[C@H](CNC(=O)NCC(C)(C)C(N)=O)[*:1]
C[C@H](CNC(=O)NCC(C)(C)C(N)=O)Sc1ccccc1 CC(C)(C(N)=O)[*:1] C[C@H](CNC(=O)NC[*:1])Sc1ccccc1
CCOC(=O)Cc1nc(CNc2ccc(C)cc2)n[nH]1 CCOC(=O)[*:1] Cc1ccc(cc1)NCc1n[nH]c(C[*:1])n1
CCOC(=O)Cc1nc(CNc2ccc(C)cc2)n[nH]1 CCOC(=O)C[*:1] Cc1ccc(cc1)NCc1n[nH]c(n1)[*:1]
CCOC(=O)[C@H](F)[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 CCOC(=O)[*:1] C[C@H]([NH2+][C@@H]1CCC[C@@H](C1)C1CC1)[C@@H](F)[*:1]
CCOC(=O)[C@H](F)[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] CCOC(=O)[C@H](F)[C@H](C)[NH2+][C@@H]1CCC[C@H](C1)[*:1]
CC(=O)Nc1cc(NS(=O)(=O)c2cc(C)c(F)cc2F)ccc1C CC(=O)N[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)Nc1ccc(C)c(c1)[*:1]
CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)[*:1]
O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2cc(-c3ccccc3)[nH]n2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)NC1CC[NH+](CC1)Cc1cc([nH]n1)[*:1]
O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2cc(-c3ccccc3)[nH]n2)CC1 Fc1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)Cc1cc([nH]n1)-c1ccccc1)N[*:1]
CC(C)(C)CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F O=[N+]([O-])[*:1] CC(C)(C)CCC(=O)Nc1cc(c(F)cc1F)[*:1]
CC(C)(C)CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F CC(C)(C)C[*:1] O=C(C[*:1])Nc1cc(c(F)cc1F)[N+](=O)[O-]
CC(C)(C)CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F CC(C)(C)[*:1] O=C(CC[*:1])Nc1cc(c(F)cc1F)[N+](=O)[O-]
CC(C)(C)CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F CC(C)(C)CC[*:1] O=C(Nc1cc(c(F)cc1F)[N+](=O)[O-])[*:1]
Cc1cccc(S(=O)(=O)Nc2cc(-c3cn4cccc(C)c4n3)ccc2C)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1NS(=O)(=O)[*:1])-c1cn2cccc(C)c2n1
CCCCOC(=O)C[NH+](C)C1CCC([NH3+])CC1 CCC[*:1] C[NH+](CC(=O)OC[*:1])C1CCC([NH3+])CC1
CCCCOC(=O)C[NH+](C)C1CCC([NH3+])CC1 CCCC[*:1] C[NH+](CC(=O)O[*:1])C1CCC([NH3+])CC1
CN(CCCNC(N)=S)c1ccccc1 NC(=S)NC[*:1] CN(CC[*:1])c1ccccc1
CN(CCCNC(N)=S)c1ccccc1 NC(=S)N[*:1] CN(CCC[*:1])c1ccccc1
COc1ccc(C)cc1NC(=O)NCc1cccc(NC(=O)c2ccco2)c1 COc1ccc(C)cc1[*:1] O=C(NCc1cccc(c1)NC(=O)c1ccco1)N[*:1]
COc1ccc(C)cc1NC(=O)NCc1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 COc1ccc(C)cc1NC(=O)NCc1cccc(c1)[*:1]
COc1ccc(C)cc1NC(=O)NCc1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] COc1ccc(C)cc1NC(=O)NCc1cccc(c1)NC(=O)[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C c1ccc(cc1)C[*:1] CCC[C@H](NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C c1ccc(cc1)[*:1] CCC[C@H](C[*:1])NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] CCC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C CCC[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](Cc1ccccc1)[*:1]
COC(=O)c1ccc(Oc2ncnc(Nc3ccccc3C)c2N)cc1 Cc1ccccc1[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(N[*:1])c1N
COC(=O)c1ccc(Oc2ncnc(Nc3ccccc3C)c2N)cc1 COC(=O)[*:1] Cc1ccccc1Nc1ncnc(Oc2ccc(cc2)[*:1])c1N
COC(=O)c1ccc(Oc2ncnc(Nc3ccccc3C)c2N)cc1 Cc1ccccc1N[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(c1N)[*:1]
C[C@H](c1ccc(-n2cncn2)cc1)N(C)c1snc(Cl)c1C#N c1ncn(n1)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)c1snc(Cl)c1C#N
CC[C@H](c1ccccc1)c1nnc(NC(=O)C(=O)N2CCC(C)(C)C2)s1 c1ccc(cc1)[*:1] CC[C@H](c1nnc(NC(=O)C(=O)N2CCC(C)(C)C2)s1)[*:1]
CCc1cc(-c2nnc(CCC(=O)Nc3nccc(C)n3)o2)nn1C CCc1cc(nn1C)[*:1] Cc1ccnc(n1)NC(=O)CCc1nnc(o1)[*:1]
CCc1cc(-c2nnc(CCC(=O)Nc3nccc(C)n3)o2)nn1C Cc1ccnc(n1)[*:1] CCc1cc(nn1C)-c1nnc(CCC(=O)N[*:1])o1
Cc1nc(C)c(CNC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)s1 Cc1nc(C)c(C[*:1])s1 C[C@@H](C(=O)N[*:1])n1nnc(n1)-c1ccccc1
Cc1nc(C)c(CNC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(CNC(=O)[C@H](C)n2nnc(n2)[*:1])s1
Cc1nc(C)c(CNC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)s1 Cc1nc(C)c(s1)[*:1] C[C@@H](C(=O)NC[*:1])n1nnc(n1)-c1ccccc1
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(C#N)cc1 CC(C)[*:1] N#Cc1ccc(cc1)NC(=O)[C@H](NC(=O)Nc1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(C#N)cc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N[*:1])C(=O)Nc1ccc(C#N)cc1
Cc1cscc1CNC(=O)c1cc(C#CCO)ccc1C Cc1cscc1C[*:1] Cc1ccc(C#CCO)cc1C(=O)N[*:1]
Cc1cscc1CNC(=O)c1cc(C#CCO)ccc1C OCC#C[*:1] Cc1cscc1CNC(=O)c1cc(ccc1C)[*:1]
Cc1cscc1CNC(=O)c1cc(C#CCO)ccc1C Cc1cscc1[*:1] Cc1ccc(C#CCO)cc1C(=O)NC[*:1]
COc1ccc(CC(=O)Oc2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)CC(=O)O[*:1]
O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CCCC1 c1ccc(cc1)C[*:1] O=C([C@@H]1CCCN1C(=O)O[*:1])N1CCCC1
O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCN1C(=O)OC[*:1])N1CCCC1
O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(OCc1ccccc1)N1CCC[C@H]1[*:1]
O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(N2CCCC2=O)cc1 c1ccc(cc1)C[*:1] O=C(Nc1nnc(S[*:1])s1)c1ccc(cc1)N1CCCC1=O
O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(N2CCCC2=O)cc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(SC[*:1])s1)c1ccc(cc1)N1CCCC1=O
O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(N2CCCC2=O)cc1 c1ccc(cc1)CS[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(cc1)N1CCCC1=O
O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(cc1)[*:1]
O=C(NCc1ccnc(-n2cccn2)c1)N1CCc2cc(F)ccc2C1 c1cnn(c1)[*:1] O=C(NCc1ccnc(c1)[*:1])N1CCc2cc(F)ccc2C1
CCN(C(=O)C[NH+](C)CC(=O)Nc1ccc(C)cn1)C1CC1 Cc1ccc(nc1)[*:1] CCN(C(=O)C[NH+](C)CC(=O)N[*:1])C1CC1
CCN(C(=O)C[NH+](C)CC(=O)Nc1ccc(C)cn1)C1CC1 C1CC1[*:1] CCN(C(=O)C[NH+](C)CC(=O)Nc1ccc(C)cn1)[*:1]
Cc1cnc(NCCc2ccccc2)nc1-c1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1cnc(nc1[*:1])NCCc1ccccc1
Cc1cnc(NCCc2ccccc2)nc1-c1cnn(C)c1 c1ccc(cc1)[*:1] Cc1cnc(nc1-c1cnn(C)c1)NCC[*:1]
Cc1cnc(NCCc2ccccc2)nc1-c1cnn(C)c1 c1ccc(cc1)C[*:1] Cc1cnc(nc1-c1cnn(C)c1)NC[*:1]
C=CC[C@@]1(C(=O)[O-])CCCN(c2nccc(N3CCC(O)CC3)n2)C1 O=C([O-])[*:1] C=CC[C@]1(CCCN(C1)c1nccc(n1)N1CCC(O)CC1)[*:1]
C=CC[C@@]1(C(=O)[O-])CCCN(c2nccc(N3CCC(O)CC3)n2)C1 C=CC[*:1] O=C([O-])[C@]1(CCCN(C1)c1nccc(n1)N1CCC(O)CC1)[*:1]
C=CC[C@@]1(C(=O)[O-])CCCN(c2nccc(N3CCC(O)CC3)n2)C1 OC1CCN(CC1)[*:1] C=CC[C@]1(CCCN(C1)c1nccc(n1)[*:1])C(=O)[O-]
CSc1ccccc1NC(=O)CCSc1ccc(C)cn1 Cc1ccc(nc1)[*:1] CSc1ccccc1NC(=O)CCS[*:1]
COc1cccc(Cn2c(=O)[nH]c3cc([C@H]4N[C@H](c5ccc6c(c5)OCO6)NO4)ccc3c2=O)c1 COc1cccc(c1)[*:1] O=c1[nH]c2cc(ccc2c(=O)n1C[*:1])[C@H]1N[C@@H](NO1)c1ccc2OCOc2c1
COc1cccc(Cn2c(=O)[nH]c3cc([C@H]4N[C@H](c5ccc6c(c5)OCO6)NO4)ccc3c2=O)c1 COc1cccc(c1)C[*:1] O=c1[nH]c2cc(ccc2c(=O)n1[*:1])[C@H]1N[C@@H](NO1)c1ccc2OCOc2c1
COc1cccc(Cn2c(=O)[nH]c3cc([C@H]4N[C@H](c5ccc6c(c5)OCO6)NO4)ccc3c2=O)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)Cn1c(=O)[nH]c2cc(ccc2c1=O)[C@H]1N[C@H](NO1)[*:1]
Cc1nc(N2CCN(c3ncccn3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 c1cnc(nc1)[*:1] Cc1nc(c2c3CC[C@@H](C)Cc3sc2n1)N1CCN(CC1)[*:1]
Cn1c(SCc2nc(-c3cc(Br)cs3)no2)nnc1[C@@H]1CCS(=O)(=O)C1 Brc1csc(c1)[*:1] Cn1c(nnc1[C@@H]1CCS(=O)(=O)C1)SCc1nc(no1)[*:1]
C[NH2+]Cc1sc(N2CC[C@H]([NH+]3CCCC3)C2)nc1C(C)C CC(C)[*:1] C[NH2+]Cc1sc(nc1[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
C[C@@H]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 O=C(N1CCCC1)[*:1] C[C@@H]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2c[nH]c(c2)[*:1])C1
C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2cccc(O)c2)c1 C#CC[*:1] O=C(NCCc1cccc(O)c1)c1cccc(c1)S(=O)(=O)N[*:1]
C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2cccc(O)c2)c1 Oc1cccc(c1)C[*:1] C#CCNS(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2cccc(O)c2)c1 Oc1cccc(c1)[*:1] C#CCNS(=O)(=O)c1cccc(c1)C(=O)NCC[*:1]
C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2cccc(O)c2)c1 C#CCNS(=O)(=O)[*:1] O=C(NCCc1cccc(O)c1)c1cccc(c1)[*:1]
C[NH+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ncc[nH]1 CC(C)(C)[*:1] C[NH+](Cc1cc(n[nH]1)[*:1])Cc1ncc[nH]1
C[NH+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ncc[nH]1 c1c[nH]c(C[*:1])n1 C[NH+](Cc1cc(n[nH]1)C(C)(C)C)[*:1]
C[NH+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ncc[nH]1 c1c[nH]c(n1)[*:1] C[NH+](Cc1cc(n[nH]1)C(C)(C)C)C[*:1]
CC1(C)[C@@H](CBr)CC[C@]1(C)C(=O)[O-] O=C([O-])[*:1] CC1(C)[C@@H](CBr)CC[C@@]1(C)[*:1]
CC[C@]([NH3+])(c1ccccc1)[C@H]1CCO[C@]2(CCOC2)C1 c1ccc(cc1)[*:1] CC[C@]([NH3+])([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
Cc1noc2ncc(C(=O)Nc3ccccc3C(=O)C(C)C)cc12 CC(C)[*:1] Cc1noc2ncc(cc12)C(=O)Nc1ccccc1C(=O)[*:1]
Cc1noc2ncc(C(=O)Nc3ccccc3C(=O)C(C)C)cc12 CC(C)C(=O)[*:1] Cc1noc2ncc(cc12)C(=O)Nc1ccccc1[*:1]
O=C(C=C1CCSCC1)Nc1nc(-c2cccc(F)c2)cs1 Fc1cccc(c1)[*:1] O=C(C=C1CCSCC1)Nc1nc(cs1)[*:1]
CCOc1cccc(NC(=O)c2ccc[n+]([O-])c2)c1 CCO[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc[n+]([O-])c1
COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCC[NH2+]CC1 COC(=O)[*:1] Cc1oc(C)c(c1S(=O)(=O)N1CCC[NH2+]CC1)[*:1]
CC[C@@H](C)c1ccc([C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)C)cc1 CC[C@@H](C)[*:1] CC(C)[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(cc1)[*:1]
CC[C@@H](C)c1ccc([C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)C)cc1 CC(C)[*:1] CC[C@@H](C)c1ccc(cc1)[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[*:1]
CC[C@@H](C)c1ccc([C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)C)cc1 CC[C@@H](C)c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[*:1]
CCn1c(=O)c2cc(C(=O)N(CCC#N)c3ccccc3)sc2c2ccccc21 c1ccc(cc1)[*:1] CCn1c(=O)c2cc(sc2c2ccccc21)C(=O)N(CCC#N)[*:1]
CCn1c(=O)c2cc(C(=O)N(CCC#N)c3ccccc3)sc2c2ccccc21 N#CCC[*:1] CCn1c(=O)c2cc(sc2c2ccccc21)C(=O)N(c1ccccc1)[*:1]
CCn1c(=O)c2cc(C(=O)N(CCC#N)c3ccccc3)sc2c2ccccc21 N#CC[*:1] CCn1c(=O)c2cc(sc2c2ccccc21)C(=O)N(C[*:1])c1ccccc1
C=CCCS(=O)(=O)Nc1cn(C)nc1CC C=CCC[*:1] CCc1nn(C)cc1NS(=O)(=O)[*:1]
C=CCCS(=O)(=O)Nc1cn(C)nc1CC C=CC[*:1] CCc1nn(C)cc1NS(=O)(=O)C[*:1]
NC(=O)c1cnc(NCc2ccc(N3CCCCC3)[nH+]c2)c(Cl)c1 NC(=O)[*:1] Clc1cc(cnc1NCc1ccc([nH+]c1)N1CCCCC1)[*:1]
NC(=O)c1cnc(NCc2ccc(N3CCCCC3)[nH+]c2)c(Cl)c1 C1CCN(CC1)[*:1] NC(=O)c1cnc(NCc2ccc([nH+]c2)[*:1])c(Cl)c1
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cn3ccnc3)c2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)Nc1cccc(c1)Cn1ccnc1
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cn3ccnc3)c2)cc1 c1cn(cn1)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(c1)C[*:1]
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cn3ccnc3)c2)cc1 c1cn(cn1)C[*:1] COc1ccc(cc1)NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(c1)[*:1]
CCOCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 CCO[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(cc1)NC(=O)CC[*:1]
CCOCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 CCOC[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(cc1)NC(=O)C[*:1]
CCOCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 CCOCC[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(cc1)NC(=O)[*:1]
Cc1noc(CCNC(=O)c2ccc(Cl)cc2Cl)n1 Cc1noc(n1)[*:1] O=C(NCC[*:1])c1ccc(Cl)cc1Cl
C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1cccs1 c1csc(c1)[*:1] CC(=NNC(=O)COc1cc(C)ccc1C(C)C)[*:1]
C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1cccs1 CC(C)[*:1] C/C(=N\NC(=O)COc1cc(C)ccc1[*:1])c1cccs1
Cl/C=C(/Cl)COC[C@@H]1CC[NH2+]C1 Cl/C=C(/Cl)[*:1] C1C[C@H](C[NH2+]1)COC[*:1]
C[C@@](O)(CNS(=O)(=O)c1cccs1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@](O)(CNS(=O)(=O)c1cccs1)[*:1]
C[C@@](O)(CNS(=O)(=O)c1cccs1)c1ccccc1 c1csc(c1)[*:1] C[C@@](O)(CNS(=O)(=O)[*:1])c1ccccc1
Cn1/c(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2cc3c(cc21)OCO3 Clc1ccc(s1)[*:1] Cn1/c(=N/C(=O)[C@@H]2CCCN2S(=O)(=O)[*:1])sc2cc3OCOc3cc21
CCc1c(C)sc(NC(=S)NC(=O)c2ccc(C)c(I)c2)c1C(N)=O Cc1ccc(cc1I)[*:1] CCc1c(C)sc(NC(=S)NC(=O)[*:1])c1C(N)=O
CCc1c(C)sc(NC(=S)NC(=O)c2ccc(C)c(I)c2)c1C(N)=O NC(=O)[*:1] CCc1c(C)sc(NC(=S)NC(=O)c2ccc(C)c(I)c2)c1[*:1]
O=C(c1cn[nH]c1)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 c1n[nH]cc1[*:1] O=C1N(CCC[C@@]12CCN(C2)C(=O)[*:1])Cc1ccccc1F
O=C(c1cn[nH]c1)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 Fc1ccccc1[*:1] O=C(c1cn[nH]c1)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
O=C(c1cn[nH]c1)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 Fc1ccccc1C[*:1] O=C(c1cn[nH]c1)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2Cc2ccccc2)cc1OC O=C(c1cc2ccccc2o1)[*:1] COc1ccc(cc1OC)[C@H]1C(=C([O-])C(=O)N1Cc1ccccc1)[*:1]
COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2Cc2ccccc2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)[C@H]1C(C(=O)c2cc3ccccc3o2)=C([O-])C(=O)N1[*:1]
COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2Cc2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1[*:1])c1cc2ccccc2o1
COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2Cc2ccccc2)cc1OC c1ccc2oc(cc2c1)[*:1] COc1ccc(cc1OC)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccccc1
COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2Cc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1C(C(=O)c2cc3ccccc3o2)=C([O-])C(=O)N1C[*:1]
CC1(C)C(=O)N(CC(=O)Nc2cccc(C#N)c2)C(=O)c2ccccc21 N#Cc1cccc(c1)[*:1] CC1(C)C(=O)N(CC(=O)N[*:1])C(=O)c2ccccc21
COCCN1CCN(C(=O)NCC(C)(C)[NH+](C)C)CC1=O COCC[*:1] C[NH+](C)C(C)(C)CNC(=O)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)NCC(C)(C)[NH+](C)C)CC1=O COC[*:1] C[NH+](C)C(C)(C)CNC(=O)N1CCN(C[*:1])C(=O)C1
O=C(NOCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(NOC[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1F
O=C(NOCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(NOCc1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NOCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 c1ccc(cc1)C[*:1] O=C(NO[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1F
CC(C)(C)C1CCC(=NNC(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)(C)C1CCC(CC1)=NNC(=O)[*:1]
CC(C)(C)C1CCC(=NNC(=O)c2ccc(F)cc2)CC1 CC(C)(C)[*:1] O=C(NN=C1CCC(CC1)[*:1])c1ccc(F)cc1
COc1ccc(C[NH+]2CCN(c3cc(Cl)ncn3)CC2)c(Cl)c1 Clc1cc(ncn1)[*:1] COc1ccc(C[NH+]2CCN(CC2)[*:1])c(Cl)c1
COC(=O)[C@@H](Nc1ccc2nccnc2n1)C(C)C CC(C)[*:1] COC(=O)[C@@H](Nc1ccc2nccnc2n1)[*:1]
COC(=O)[C@@H](Nc1ccc2nccnc2n1)C(C)C COC(=O)[*:1] CC(C)[C@H](Nc1ccc2nccnc2n1)[*:1]
O=C(C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)NC1CC1 C1CC1[*:1] O=C(C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)N[*:1]
O=C(C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)NC1CC1 O=C(NC1CC1)[*:1] C1C[C@@]2(CO1)C[C@@H](CCO2)[NH2+]C[*:1]
O=C(N[C@H]1CCCOc2c1ccc1ccccc21)C1CC1 C1CC1[*:1] O=C(N[C@H]1CCCOc2c1ccc1ccccc21)[*:1]
O=C(N[C@H]1CCCOc2c1ccc1ccccc21)C1CC1 O=C(N[*:1])C1CC1 c1ccc2c3OCCC[C@@H](c3ccc2c1)[*:1]
CCc1ccc(C2=NN3C(=c4ccccc4=[NH+]C34CC[NH+](C)CC4)NC2=O)cc1 CCc1ccc(cc1)[*:1] C[NH+]1CCC2(CC1)[NH+]=c1ccccc1=C1NC(=O)C(=NN12)[*:1]
Cc1cccc(C2(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)CCCC2)c1 Cc1cccc(c1)[*:1] NS(=O)(=O)c1cccc(c1)S(=O)(=O)NC1(CCCC1)[*:1]
Cc1cccc(C2(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)CCCC2)c1 NS(=O)(=O)[*:1] Cc1cccc(c1)C1(CCCC1)NS(=O)(=O)c1cccc(c1)[*:1]
N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NC[C@@H]1CCCO1 Clc1ccc(cc1)C[*:1] N#Cc1nc(oc1NC[C@@H]1CCCO1)-c1ccc(cc1)O[*:1]
N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NC[C@@H]1CCCO1 Clc1ccc(cc1)CO[*:1] N#Cc1nc(oc1NC[C@@H]1CCCO1)-c1ccc(cc1)[*:1]
N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NC[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] N#Cc1nc(oc1NC[C@@H]1CCCO1)-c1ccc(cc1)OC[*:1]
COC(=O)[C@@H]1CN(Cc2c(F)cccc2F)C[C@@H](C)O1 COC(=O)[*:1] C[C@@H]1CN(Cc2c(F)cccc2F)C[C@H](O1)[*:1]
CC[C@@H]1CCCCN1C(=O)/C(C#N)=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 Clc1ccccc1[*:1] CC[C@@H]1CCCCN1C(=O)/C(C#N)=C1/C(=O)N(C[*:1])c2ccccc21
CC[C@@H]1CCCCN1C(=O)/C(C#N)=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 Clc1ccccc1C[*:1] CC[C@@H]1CCCCN1C(=O)/C(C#N)=C1/C(=O)N(c2ccccc21)[*:1]
N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)CCO1 c1coc(c1)[*:1] N#C[C@@H]1CN(CCO1)S(=O)(=O)N1CCC[C@H]1[*:1]
C[C@@H](NC(=O)CSc1nncs1)c1cccc2ccccc12 c1nnc(S[*:1])s1 C[C@@H](NC(=O)C[*:1])c1cccc2ccccc12
C[C@@H](NC(=O)CSc1nncs1)c1cccc2ccccc12 c1nnc(s1)[*:1] C[C@@H](NC(=O)CS[*:1])c1cccc2ccccc12
C[C@@H](NC(=O)CSc1nncs1)c1cccc2ccccc12 c1nnc(SC[*:1])s1 C[C@@H](NC(=O)[*:1])c1cccc2ccccc12
Cc1[nH]nc2c1C1(CC[NH+](CCc3ccccc3)CC1)C(C#N)=C(N)O2 c1ccc(cc1)C[*:1] Cc1[nH]nc2OC(N)=C(C#N)C3(CC[NH+](CC3)C[*:1])c21
Cc1[nH]nc2c1C1(CC[NH+](CCc3ccccc3)CC1)C(C#N)=C(N)O2 c1ccc(cc1)[*:1] Cc1[nH]nc2OC(N)=C(C#N)C3(CC[NH+](CC3)CC[*:1])c21
Cc1[nH]nc2c1C1(CC[NH+](CCc3ccccc3)CC1)C(C#N)=C(N)O2 c1ccc(cc1)CC[*:1] Cc1[nH]nc2OC(N)=C(C#N)C3(CC[NH+](CC3)[*:1])c21
O=C(CC[C@@H]1CCCC[NH2+]1)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(CC[C@@H]1CCCC[NH2+]1)N[C@@H]1CCCCC[C@H]1[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[NH+](C3CCCC3)CC2)CC1 C1CCC(C1)[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)CN1CC[NH+](CC1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[NH+](C3CCCC3)CC2)CC1 CC(C)[*:1] CN(C(=O)C1CCN(CC1)C(=O)CN1CC[NH+](CC1)C1CCCC1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[NH+](C3CCCC3)CC2)CC1 CC(C)N(C)C(=O)[*:1] O=C(CN1CC[NH+](CC1)C1CCCC1)N1CCC(CC1)[*:1]
CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)c2nc3c(SC)cccc3s2)c1 c1coc(c1)[*:1] CCS(=O)(=O)c1cccc(c1)C(=O)N(C[*:1])c1nc2c(cccc2s1)SC
CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)c2nc3c(SC)cccc3s2)c1 CCS(=O)(=O)[*:1] CSc1cccc2sc(nc12)N(Cc1ccco1)C(=O)c1cccc(c1)[*:1]
CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccco2)c2nc3c(SC)cccc3s2)c1 c1coc(c1)C[*:1] CCS(=O)(=O)c1cccc(c1)C(=O)N(c1nc2c(cccc2s1)SC)[*:1]
O=C(CCc1cc(Cl)cs1)NNc1ccc(F)cc1 Clc1csc(c1)[*:1] O=C(CC[*:1])NNc1ccc(F)cc1
COc1cccc(N2CCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1 C1CN(CCO1)[*:1] COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(CC[*:1])c(=O)n1C
COc1cccc(N2CCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1 COc1cccc(c1)[*:1] Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1N(CCn12)[*:1]
COc1cccc(N2CCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1 C1CN(CCO1)CC[*:1] COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
COc1cccc(N2CCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1 C1CN(CCO1)C[*:1] COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
C[C@H](NC(=O)CC[C@@H]1CCCO1)c1cc2c(cc1Br)OCCO2 C1CO[C@@H](C1)C[*:1] C[C@H](NC(=O)C[*:1])c1cc2OCCOc2cc1Br
C[C@H](NC(=O)CC[C@@H]1CCCO1)c1cc2c(cc1Br)OCCO2 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)CC[*:1])c1cc2OCCOc2cc1Br
C[C@H](NC(=O)CC[C@@H]1CCCO1)c1cc2c(cc1Br)OCCO2 C1CO[C@@H](C1)CC[*:1] C[C@H](NC(=O)[*:1])c1cc2OCCOc2cc1Br
CC(C)c1nc(C#N)c(N/N=C/[C@H]2CC=CCC2)o1 CC(C)[*:1] N#Cc1nc(oc1N/N=C/[C@H]1CC=CCC1)[*:1]
O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 O=C([O-])[*:1] O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cc(F)cc(c1)[*:1]
COC(=O)c1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(F)cc1F COC(=O)[*:1] O=[N+]([O-])c1cc(ccc1[O-])S(=O)(=O)Nc1cc(c(F)cc1F)[*:1]
COC(=O)c1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(F)cc1F O=[N+]([O-])[*:1] COC(=O)c1cc(NS(=O)(=O)c2ccc([O-])c(c2)[*:1])c(F)cc1F
CN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] CN(Cc1ccc(C#N)cc1)C(=O)NCC[*:1]
CN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] CN(Cc1ccc(C#N)cc1)C(=O)NC[*:1]
CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C Fc1ccc(cc1)[*:1] CCOc1ccc(cc1C)-c1nonc1NC(=O)[C@H](C)O[*:1]
CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C Fc1ccc(cc1)O[*:1] CCOc1ccc(cc1C)-c1nonc1NC(=O)[C@H](C)[*:1]
CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])-c1nonc1NC(=O)[C@H](C)Oc1ccc(F)cc1
CCc1cccc(C)c1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)N1CCC[C@H]1C[C@H](O)[*:1]
CCc1cccc(C)c1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] CCc1cccc(C)c1NC(=O)N1CCC[C@H]1C[*:1]
Cc1nc(Br)ccc1NC(=O)N[C@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1nc(Br)ccc1NC(=O)N[C@H](C)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](CNc2nc3ncccc3[nH]2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](CNc2nc3ncccc3[nH]2)C1
Cc1nn(C)c(C)c1CNC1=[NH+][C@H](c2ccccc2)CS1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CNC1=[NH+][C@H](CS1)[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1=O COc1ccc(C)cc1[*:1] C[NH+](C)CCn1cc(cn1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCOC(=O)c1[nH]c(C)c(C(=O)NCc2nc3ccccc3n2C)c1C CCOC(=O)[*:1] Cc1[nH]c(c(C)c1C(=O)NCc1nc2ccccc2n1C)[*:1]
C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](Nc1ccc2ncc(n2n1)[N+](=O)[O-])[*:1]
C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CCCO1 O=[N+]([O-])[*:1] C[C@H](Nc1ccc2ncc(n2n1)[*:1])[C@H]1CCCO1
Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c(c1)[*:1]
Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c([N+](=O)[O-])c1 Cc1cccc(c1C)[*:1] Cc1ccc(NC(=O)[C@@H](C)O[*:1])c(c1)[N+](=O)[O-]
COCc1ccc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1 COC[*:1] C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(cc1)[*:1]
O=c1oc(-c2ccccc2)nc2c1oc1ccc(Cl)cc12 c1ccc(cc1)[*:1] O=c1oc(nc2c1oc1ccc(Cl)cc12)[*:1]
COc1ncnc2c1nc([C@@H](C)Cl)n2CC[C@@H]1CCCO1 C[C@@H](Cl)[*:1] COc1ncnc2c1nc(n2CC[C@@H]1CCCO1)[*:1]
COc1ncnc2c1nc([C@@H](C)Cl)n2CC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] COc1ncnc2c1nc([C@@H](C)Cl)n2C[*:1]
COc1ncnc2c1nc([C@@H](C)Cl)n2CC[C@@H]1CCCO1 C1CO[C@@H](C1)CC[*:1] COc1ncnc2c1nc([C@@H](C)Cl)n2[*:1]
COc1ncnc2c1nc([C@@H](C)Cl)n2CC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1ncnc2c1nc([C@@H](C)Cl)n2CC[*:1]
O=C(CCCn1ccnn1)Nc1ccc2c(c1)CCC2 c1cn(C[*:1])nn1 O=C(CC[*:1])Nc1ccc2CCCc2c1
O=C(CCCn1ccnn1)Nc1ccc2c(c1)CCC2 c1cn(nn1)[*:1] O=C(CCC[*:1])Nc1ccc2CCCc2c1
CCCCCO[C@H]1CCCC[C@@H]1[NH3+] CCC[*:1] [NH3+][C@H]1CCCC[C@@H]1OCC[*:1]
CCCCCO[C@H]1CCCC[C@@H]1[NH3+] CCCC[*:1] [NH3+][C@H]1CCCC[C@@H]1OC[*:1]
Cc1nnc(NC(=O)C[C@H](NC(=O)C(F)(F)F)c2ccccc2)s1 Cc1nnc(s1)[*:1] O=C(C[C@H](NC(=O)C(F)(F)F)c1ccccc1)N[*:1]
Cc1nnc(NC(=O)C[C@H](NC(=O)C(F)(F)F)c2ccccc2)s1 FC(F)(F)[*:1] Cc1nnc(NC(=O)C[C@H](NC(=O)[*:1])c2ccccc2)s1
Cc1nnc(NC(=O)C[C@H](NC(=O)C(F)(F)F)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nnc(NC(=O)C[C@H](NC(=O)C(F)(F)F)[*:1])s1
Cc1nnc(NC(=O)C[C@H](NC(=O)C(F)(F)F)c2ccccc2)s1 O=C(N[*:1])C(F)(F)F Cc1nnc(NC(=O)C[C@H](c2ccccc2)[*:1])s1
CCOC(=O)C1(C)CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)S(=O)(=O)c1cc(F)cc(F)c1)[*:1]
CC(C)c1cc(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)on1 CC(C)(C)O[*:1] CC(C)c1cc(CNC(=O)C(=O)Nc2ccc(cc2)[*:1])on1
CC(C)c1cc(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)on1 CC(C)(C)[*:1] CC(C)c1cc(CNC(=O)C(=O)Nc2ccc(cc2)O[*:1])on1
CC(C)c1cc(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)on1 CC(C)[*:1] CC(C)(C)Oc1ccc(cc1)NC(=O)C(=O)NCc1cc(no1)[*:1]
CC(C)c1cc(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)on1 CC(C)c1cc(on1)[*:1] CC(C)(C)Oc1ccc(cc1)NC(=O)C(=O)NC[*:1]
CC[C@](C)([NH3+])C(=O)NCC(=O)NC(C)(C)C CC(C)(C)[*:1] CC[C@](C)([NH3+])C(=O)NCC(=O)N[*:1]
CCOC(=O)CN1C(=O)C(=O)c2ccccc21 CCOC(=O)[*:1] O=C1C(=O)N(C[*:1])c2ccccc21
O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1C[C@H]1[*:1]
O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl Fc1cccc(c1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl C1CN(CCO1)[*:1] O=C(NC[C@H](c1cccc(F)c1)[*:1])[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
C[C@H]1CCC[C@@H](NC(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 c1nnc(s1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@H]1CCC[C@@H](NC(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 O=C(Nc1nncs1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)[*:1]
C[C@H]1CN(c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cn2)C[C@H](C)O1 c1cn(cn1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(cn1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[C@H]1CN(c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cn2)C[C@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(cn1)NC(=O)c1ccc(c(c1)[*:1])-n1ccnc1
Cc1c(NC(=O)CCCO)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)CCCO
Cc1c(NC(=O)CCCO)cccc1C(=O)[O-] OCC[*:1] Cc1c(cccc1C(=O)[O-])NC(=O)C[*:1]
Cc1c(NC(=O)CCCO)cccc1C(=O)[O-] OCCC[*:1] Cc1c(cccc1C(=O)[O-])NC(=O)[*:1]
Cc1cc(=O)oc2cc(OCc3nccn3CC(F)(F)F)c(Cl)cc12 FC(F)(F)C[*:1] Cc1cc(=O)oc2cc(OCc3nccn3[*:1])c(Cl)cc12
Cc1cc(=O)oc2cc(OCc3nccn3CC(F)(F)F)c(Cl)cc12 FC(F)(F)[*:1] Cc1cc(=O)oc2cc(OCc3nccn3C[*:1])c(Cl)cc12
O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 Clc1ccc(cc1)[*:1] O=C(CCS[*:1])Nc1nc(cs1)-c1ccc2OCOc2c1
O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 c1cc2OCOc2cc1[*:1] O=C(CCSc1ccc(Cl)cc1)Nc1nc(cs1)[*:1]
O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 Clc1ccc(cc1)SC[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc2OCOc2c1
O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 Clc1ccc(cc1)S[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1ccc2OCOc2c1
Cc1ccccc1OCCNC(=O)Cn1cnnn1 c1nnnn1[*:1] Cc1ccccc1OCCNC(=O)C[*:1]
Cc1ccccc1OCCNC(=O)Cn1cnnn1 c1nnnn1C[*:1] Cc1ccccc1OCCNC(=O)[*:1]
CSCC[C@@H](C)NC(=O)N1CCC[C@@H](NC(C)=O)C1 CSCC[C@@H](C)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)N[*:1]
CSCC[C@@H](C)NC(=O)N1CCC[C@@H](NC(C)=O)C1 CSC[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H](C)C[*:1]
CSCC[C@@H](C)NC(=O)N1CCC[C@@H](NC(C)=O)C1 CSCC[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
CSCC[C@@H](C)NC(=O)N1CCC[C@@H](NC(C)=O)C1 CC(=O)N[*:1] CSCC[C@@H](C)NC(=O)N1CCC[C@@H](C1)[*:1]
COc1ccccc1[C@H](O)CNC(=O)NCc1csc(C)n1 Cc1nc(cs1)C[*:1] COc1ccccc1[C@H](O)CNC(=O)N[*:1]
COc1ccccc1[C@H](O)CNC(=O)NCc1csc(C)n1 Cc1nc(cs1)[*:1] COc1ccccc1[C@H](O)CNC(=O)NC[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c[nH]c2ncccc12 O=C([O-])[*:1] C[C@H]1[C@@H](CCN1S(=O)(=O)c1c[nH]c2ncccc12)[*:1]
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1ccc(C#N)cc1Cl O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])S(=O)(=O)Oc1ccc(C#N)cc1Cl
Cc1ccc(-c2nnc(C[NH2+]CCn3cc(C)cn3)o2)cc1 Cc1cnn(c1)[*:1] Cc1ccc(cc1)-c1nnc(C[NH2+]CC[*:1])o1
Cc1ccc(-c2nnc(C[NH2+]CCn3cc(C)cn3)o2)cc1 Cc1cnn(c1)C[*:1] Cc1ccc(cc1)-c1nnc(C[NH2+]C[*:1])o1
Cc1ccc(-c2nnc(C[NH2+]CCn3cc(C)cn3)o2)cc1 Cc1ccc(cc1)[*:1] Cc1cnn(c1)CC[NH2+]Cc1nnc(o1)[*:1]
CCCN(CCO)C(=O)N[C@H]1CCSc2ccc(F)cc21 OCC[*:1] CCCN(C(=O)N[C@H]1CCSc2ccc(F)cc21)[*:1]
CCCN(CCO)C(=O)N[C@H]1CCSc2ccc(F)cc21 CCC[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)N(CCO)[*:1]
OC[C@H]1CCC[C@@H]1Nc1cc(-n2ccnc2)ncn1 c1cn(cn1)[*:1] OC[C@H]1CCC[C@@H]1Nc1cc(ncn1)[*:1]
CN(Cc1ccccc1)C1(C(=O)NCCc2cnccn2)Cc2ccccc2C1 CN(Cc1ccccc1)[*:1] O=C(NCCc1cnccn1)C1(Cc2ccccc2C1)[*:1]
CN(Cc1ccccc1)C1(C(=O)NCCc2cnccn2)Cc2ccccc2C1 c1cnc(cn1)C[*:1] CN(Cc1ccccc1)C1(Cc2ccccc2C1)C(=O)NC[*:1]
CN(Cc1ccccc1)C1(C(=O)NCCc2cnccn2)Cc2ccccc2C1 c1ccc(cc1)C[*:1] CN(C1(Cc2ccccc2C1)C(=O)NCCc1cnccn1)[*:1]
CN(Cc1ccccc1)C1(C(=O)NCCc2cnccn2)Cc2ccccc2C1 c1cnc(cn1)CC[*:1] CN(Cc1ccccc1)C1(Cc2ccccc2C1)C(=O)N[*:1]
CN(Cc1ccccc1)C1(C(=O)NCCc2cnccn2)Cc2ccccc2C1 c1cnc(cn1)[*:1] CN(Cc1ccccc1)C1(Cc2ccccc2C1)C(=O)NCC[*:1]
CN(Cc1ccccc1)C1(C(=O)NCCc2cnccn2)Cc2ccccc2C1 c1ccc(cc1)[*:1] CN(C[*:1])C1(Cc2ccccc2C1)C(=O)NCCc1cnccn1
Cc1cc(OCCn2nnc3ccccc3c2=O)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCCn1nnc2ccccc2c1=O
CN(Cc1cccc(O)c1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1c1nc(no1)[*:1] CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)[*:1]
CN(Cc1cccc(O)c1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 Oc1cccc(c1)C[*:1] CN(C(=O)c1cccc(c1)-c1noc(n1)C1CC1)[*:1]
CN(Cc1cccc(O)c1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1[*:1] CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)-c1noc(n1)[*:1]
CN(Cc1cccc(O)c1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 Oc1cccc(c1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)-c1noc(n1)C1CC1
CCS(=O)(=O)N1CC(=O)N(c2ccc(C)c(C)c2)[C@](C)(C(=O)NCc2ccc(F)cc2)C1 Cc1ccc(cc1C)[*:1] CCS(=O)(=O)N1CC(=O)N([C@@](C)(C1)C(=O)NCc1ccc(F)cc1)[*:1]
CCS(=O)(=O)N1CC(=O)N(c2ccc(C)c(C)c2)[C@](C)(C(=O)NCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCS(=O)(=O)N1CC(=O)N(c2ccc(C)c(C)c2)[C@@](C)(C1)C(=O)NC[*:1]
CCS(=O)(=O)N1CC(=O)N(c2ccc(C)c(C)c2)[C@](C)(C(=O)NCc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] CCS(=O)(=O)N1CC(=O)N(c2ccc(C)c(C)c2)[C@@](C)(C1)C(=O)N[*:1]
CCN(C(=O)CCCCO)c1cccc2ccccc12 OCC[*:1] CCN(C(=O)CC[*:1])c1cccc2ccccc12
CCN(C(=O)CCCCO)c1cccc2ccccc12 OCCC[*:1] CCN(C(=O)C[*:1])c1cccc2ccccc12
CCN(C(=O)CCCCO)c1cccc2ccccc12 OCCCC[*:1] CCN(C(=O)[*:1])c1cccc2ccccc12
Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 Cc1ccc(Cl)cc1NC(=O)[*:1] O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1[C@@H](Cc1ccccc1)[*:1])[C@@H]1C[C@H]31
Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 c1ccc(cc1)C[*:1] Cc1ccc(Cl)cc1NC(=O)[C@H](N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 Cc1ccc(Cl)cc1[*:1] O=C(N[*:1])[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31
Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@H](C[*:1])N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12 c1cc(c2nsnc2c1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12 c1ccc(cc1)C[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C[*:1])NS(=O)(=O)c1cccc2nsnc12
CCC(CC)CNC(=O)N1CCOC[C@@H]1C1CC1 CCC(CC)[*:1] O=C(NC[*:1])N1CCOC[C@@H]1C1CC1
CCC(CC)CNC(=O)N1CCOC[C@@H]1C1CC1 CCC(CC)C[*:1] O=C(N[*:1])N1CCOC[C@@H]1C1CC1
CCC(CC)CNC(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] CCC(CC)CNC(=O)N1CCOC[C@H]1[*:1]
COc1ccc(NC(=O)Nc2cc(C)[nH+]n2-c2nc([O-])c3c(n2)CCCC3)cc1 COc1ccc(cc1)[*:1] Cc1cc(NC(=O)N[*:1])n([nH+]1)-c1nc([O-])c2CCCCc2n1
Cc1csc([C@@H](C)N2C(=O)[C@H]3CCCN3C(=O)[C@H]2C)n1 Cc1csc(n1)[*:1] C[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1[C@H](C)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CN2CCOCC2)o1 CNS(=O)(=O)[*:1] C[C@H](CN1CCOCC1)NC(=O)c1ccc(o1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CN2CCOCC2)o1 C1CN(CCO1)C[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)N[C@H](C)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CN2CCOCC2)o1 C1CN(CCO1)[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)N[C@H](C)C[*:1]
CN(CC(=O)N[C@@H](C#N)C(C)(C)C)S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CN(CC(=O)N[C@@H](C#N)C(C)(C)C)S(=O)(=O)[*:1]
CN(CC(=O)N[C@@H](C#N)C(C)(C)C)S(=O)(=O)c1ccc(Cl)s1 CC(C)(C)[*:1] CN(CC(=O)N[C@@H](C#N)[*:1])S(=O)(=O)c1ccc(Cl)s1
COc1cc(NC(=O)NCCc2cccnc2)ccc1N1CCCC1=O c1cncc(c1)[*:1] COc1cc(ccc1N1CCCC1=O)NC(=O)NCC[*:1]
COc1cc(NC(=O)NCCc2cccnc2)ccc1N1CCCC1=O c1cncc(c1)CC[*:1] COc1cc(ccc1N1CCCC1=O)NC(=O)N[*:1]
COc1cc(NC(=O)NCCc2cccnc2)ccc1N1CCCC1=O O=C1CCCN1[*:1] COc1cc(ccc1[*:1])NC(=O)NCCc1cccnc1
COc1cc(NC(=O)NCCc2cccnc2)ccc1N1CCCC1=O c1cncc(c1)C[*:1] COc1cc(ccc1N1CCCC1=O)NC(=O)NC[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCNC(=O)C1CCC1 C1CC(C1)[*:1] Cc1cc(C)c(c(C)c1C(=O)NCCCNC(=O)[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCNC(=O)C1CCC1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)NCCCNC(=O)C1CCC1)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCNC(=O)C1CCC1 O=C(NC[*:1])C1CCC1 Cc1cc(C)c(c(C)c1C(=O)NCC[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCNC(=O)C1CCC1 O=C(N[*:1])C1CCC1 Cc1cc(C)c(c(C)c1C(=O)NCCC[*:1])[N+](=O)[O-]
Cc1cc(C(F)(F)F)n(CCC[NH3+])n1 [NH3+]CC[*:1] Cc1cc(n(C[*:1])n1)C(F)(F)F
Cc1cc(C(F)(F)F)n(CCC[NH3+])n1 [NH3+]CCC[*:1] Cc1cc(n(n1)[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)n(CCC[NH3+])n1 FC(F)(F)[*:1] Cc1cc(n(CCC[NH3+])n1)[*:1]
CSc1nc(N)cc(Nc2cccc(C(=O)[O-])c2)n1 O=C([O-])[*:1] CSc1nc(N)cc(n1)Nc1cccc(c1)[*:1]
CC(=O)Nc1ccc(/C=N\Nc2nncc3ccccc23)cc1 CC(=O)N[*:1] C(=N\Nc1nncc2ccccc12)\c1ccc(cc1)[*:1]
COc1ccccc1CNC(=O)[C@H]1C=C(c2ccc(C)c(C)c2)N=C1C Cc1ccc(cc1C)[*:1] COc1ccccc1CNC(=O)[C@H]1C=C(N=C1C)[*:1]
COc1ccccc1CNC(=O)[C@H]1C=C(c2ccc(C)c(C)c2)N=C1C COc1ccccc1[*:1] CC1=NC(=C[C@@H]1C(=O)NC[*:1])c1ccc(C)c(C)c1
CCOC(=O)N1CCC(NC(=O)c2cn(-c3ccccc3Cl)nn2)CC1 Clc1ccccc1[*:1] CCOC(=O)N1CCC(CC1)NC(=O)c1cn(nn1)[*:1]
C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[*:1]
O=C(Cc1cccnc1)NNC(=O)N1CC=C(c2ccccc2Cl)CC1 c1cncc(c1)[*:1] O=C(C[*:1])NNC(=O)N1CC=C(CC1)c1ccccc1Cl
O=C(Cc1cccnc1)NNC(=O)N1CC=C(c2ccccc2Cl)CC1 c1cncc(c1)C[*:1] O=C(NNC(=O)[*:1])N1CC=C(CC1)c1ccccc1Cl
O=C(Cc1cccnc1)NNC(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(Cc1cccnc1)NNC(=O)N1CC=C(CC1)[*:1]
CC(C)c1ccc(-c2nn(CN(C)CC#N)c(=S)o2)cc1 CN(CC#N)[*:1] CC(C)c1ccc(cc1)-c1nn(C[*:1])c(=S)o1
CC(C)c1ccc(-c2nn(CN(C)CC#N)c(=S)o2)cc1 N#CC[*:1] CC(C)c1ccc(cc1)-c1nn(CN(C)[*:1])c(=S)o1
CC(C)c1ccc(-c2nn(CN(C)CC#N)c(=S)o2)cc1 CC(C)[*:1] CN(CC#N)Cn1nc(oc1=S)-c1ccc(cc1)[*:1]
CC(C)c1ccc(-c2nn(CN(C)CC#N)c(=S)o2)cc1 CN(CC#N)C[*:1] CC(C)c1ccc(cc1)-c1nn(c(=S)o1)[*:1]
CCc1nc(C)c(C(C)=O)c(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1 CC(=O)[*:1] CCc1nc(C)c(c(n1)SCC(=O)N[C@H]1CCCC[C@@H]1C)[*:1]
C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)N[*:1]
C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)NC(=O)N[*:1])c1ccccc1
C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)NC(=O)Nc1ccccc1)[*:1]
Cc1nnnn1CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC(C)C)C1 Cc1nnnn1C[*:1] CC(C)CN1C(=O)CC[C@H]2CN(CC[C@H]21)C(=O)[*:1]
Cc1nnnn1CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC(C)C)C1 Cc1nnnn1[*:1] CC(C)CN1C(=O)CC[C@H]2CN(CC[C@H]21)C(=O)C[*:1]
Cc1nnnn1CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC(C)C)C1 CC(C)C[*:1] Cc1nnnn1CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2[*:1])C1
Cc1nnnn1CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC(C)C)C1 CC(C)[*:1] Cc1nnnn1CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C[*:1])C1
CC(C)n1nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c2ccccc2c1=O Cn1c(nc2ccccc21)[*:1] CC(C)n1nc(C(=O)N2CCC[C@H]2[*:1])c2ccccc2c1=O
CC(C)n1nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c2ccccc2c1=O CC(C)[*:1] Cn1c(nc2ccccc21)[C@H]1CCCN1C(=O)c1nn(c(=O)c2ccccc12)[*:1]
Cc1ccc(C(=O)Nc2ccc(SCc3ccccn3)nn2)cc1 c1ccc(C[*:1])nc1 Cc1ccc(cc1)C(=O)Nc1ccc(nn1)S[*:1]
Cc1ccc(C(=O)Nc2ccc(SCc3ccccn3)nn2)cc1 c1ccc(CS[*:1])nc1 Cc1ccc(cc1)C(=O)Nc1ccc(nn1)[*:1]
Cc1ccc(C(=O)Nc2ccc(SCc3ccccn3)nn2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(nn1)SCc1ccccn1)[*:1]
Cc1ccc(C(=O)Nc2ccc(SCc3ccccn3)nn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(nn1)SC[*:1]
C[C@H](OCc1ccccc1)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 c1ccc(cc1)C[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)C(=O)c1cccc(O)c1
C[C@H](OCc1ccccc1)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 Oc1cccc(c1)[*:1] C[C@H](OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)[*:1]
C[C@H](OCc1ccccc1)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 c1ccc(cc1)CO[*:1] C[C@H](C(=O)N1CCN(CC1)C(=O)c1cccc(O)c1)[*:1]
C[C@H](OCc1ccccc1)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 c1ccc(cc1)[*:1] C[C@H](OC[*:1])C(=O)N1CCN(CC1)C(=O)c1cccc(O)c1
Cc1ccccc1[C@@H]1CN(Cc2cnc3cnccn23)CCO1 Cc1ccccc1[*:1] c1cn2c(cnc2cn1)CN1CCO[C@@H](C1)[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCCCC1CCCCC1 C1CCC(CC1)[*:1] CCc1nn(C)cc1NC(=O)C(=O)NCCC[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCCCC1CCCCC1 C1CCC(CC1)C[*:1] CCc1nn(C)cc1NC(=O)C(=O)NCC[*:1]
CC[C@@H](C)N(C(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3)[C@H]1CCS(=O)(=O)C1 CC[C@@H](C)[*:1] Nc1nc(nc2sc3CCCCc3c12)SCC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(Nc1cc2c(cc1Br)OCCO2)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(Nc1cc2OCCOc2cc1Br)c1cc(ccc1Cl)[*:1]
Cc1noc([C@H](C)OC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)n1 CC(C)(C)[*:1] Cc1noc(n1)[C@H](C)OC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
Cc1noc([C@H](C)OC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)n1 Cc1noc(n1)[*:1] C[C@H](Oc1ccc(cc1)C(C)(C)C)C(=O)O[C@@H](C)[*:1]
C[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CCOC1C[C@@H](C)C[C@H](C)C1 O=C([O-])[*:1] C[NH2+][C@@]1(CCC[C@H]1CCOC1C[C@@H](C)C[C@H](C)C1)[*:1]
C[C@](NC(=O)CSc1cccs1)(C(=O)[O-])C1CC1 c1csc(c1)[*:1] C[C@](NC(=O)CS[*:1])(C(=O)[O-])C1CC1
C[C@](NC(=O)CSc1cccs1)(C(=O)[O-])C1CC1 c1csc(c1)S[*:1] C[C@](NC(=O)C[*:1])(C(=O)[O-])C1CC1
C[C@](NC(=O)CSc1cccs1)(C(=O)[O-])C1CC1 C1CC1[*:1] C[C@](NC(=O)CSc1cccs1)(C(=O)[O-])[*:1]
C[C@](NC(=O)CSc1cccs1)(C(=O)[O-])C1CC1 O=C([O-])[*:1] C[C@](NC(=O)CSc1cccs1)(C1CC1)[*:1]
CC[C@@H](C(=O)[O-])N(C)C(=O)c1cn(C2C[NH2+]C2)nn1 CC[C@@H](C(=O)[O-])[*:1] CN(C(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
CC[C@@H](C(=O)[O-])N(C)C(=O)c1cn(C2C[NH2+]C2)nn1 O=C([O-])[*:1] CC[C@@H](N(C)C(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
CCCC1CCC(NC(=O)C(=O)Nc2ccc(OC)cc2)CC1 CCC[*:1] COc1ccc(cc1)NC(=O)C(=O)NC1CCC(CC1)[*:1]
Cn1ccc(NC(=O)CCCc2cn(C)c3ccccc23)n1 Cn1ccc(n1)[*:1] Cn1cc(CCCC(=O)N[*:1])c2ccccc21
Cc1ccc(CC(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)cn1 Cc1ccc(cn1)C[*:1] Cc1nc(NC(=O)[*:1])sc1Cc1ccc(F)cc1
Cc1ccc(CC(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)cn1 Fc1ccc(cc1)C[*:1] Cc1ccc(cn1)CC(=O)Nc1nc(C)c(s1)[*:1]
Cc1ccc(CC(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)cn1 Cc1ccc(cn1)[*:1] Cc1nc(NC(=O)C[*:1])sc1Cc1ccc(F)cc1
Cc1ccc(CC(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)cn1 Fc1ccc(cc1)[*:1] Cc1ccc(cn1)CC(=O)Nc1nc(C)c(C[*:1])s1
O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@]1(O)CCOC1 O[C@@]1(CCOC1)[*:1] O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[*:1]
O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@]1(O)CCOC1 O[C@]1(CCOC1)C[*:1] O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[*:1]
COc1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)ccc1C Fc1ccc(cc1)[*:1] COc1cc(ccc1C)C(=O)N1CCN(CC1)[C@@H](C#N)[*:1]
COc1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)ccc1C COc1cc(ccc1C)[*:1] N#C[C@@H](c1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
CN(CC(F)(F)F)C(=O)C[NH+](C)Cc1cccnc1 c1cncc(c1)[*:1] CN(CC(F)(F)F)C(=O)C[NH+](C)C[*:1]
CN(CC(F)(F)F)C(=O)C[NH+](C)Cc1cccnc1 FC(F)(F)[*:1] CN(C[*:1])C(=O)C[NH+](C)Cc1cccnc1
CN(CC(F)(F)F)C(=O)C[NH+](C)Cc1cccnc1 FC(F)(F)C[*:1] CN(C(=O)C[NH+](C)Cc1cccnc1)[*:1]
Cc1csc([C@H](C)NC(=O)NC[C@H](C)Cn2cc[nH+]c2C)n1 Cc1csc(n1)[*:1] Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H](C)[*:1]
O=C1c2ccccc2N[C@@H](c2ccc3ccccc3c2)N1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C1c2ccccc2N[C@@H](c2ccc3ccccc3c2)N1[*:1]
O=C1c2ccccc2N[C@@H](c2ccc3ccccc3c2)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C1c2ccccc2N[C@@H](c2ccc3ccccc3c2)N1C[*:1]
CCOCc1ccccc1NC(=O)NNc1ccccc1 CCO[*:1] O=C(NNc1ccccc1)Nc1ccccc1C[*:1]
CCOCc1ccccc1NC(=O)NNc1ccccc1 CCOC[*:1] O=C(NNc1ccccc1)Nc1ccccc1[*:1]
CCOCc1ccccc1NC(=O)NNc1ccccc1 c1ccc(cc1)[*:1] CCOCc1ccccc1NC(=O)NN[*:1]
CCn1nnc2cc(-c3noc(-c4ccnn4C)n3)ccc21 Cn1nccc1[*:1] CCn1nnc2cc(ccc21)-c1noc(n1)[*:1]
O=C(N/N=C/c1ccc(OCc2cnc(Cl)s2)cc1)c1ccncc1 c1cc(ccn1)[*:1] O=C(N/N=C/c1ccc(cc1)OCc1cnc(Cl)s1)[*:1]
O=C(N/N=C/c1ccc(OCc2cnc(Cl)s2)cc1)c1ccncc1 Clc1ncc(CO[*:1])s1 O=C(N/N=C/c1ccc(cc1)[*:1])c1ccncc1
O=C(N/N=C/c1ccc(OCc2cnc(Cl)s2)cc1)c1ccncc1 Clc1ncc(C[*:1])s1 O=C(N/N=C/c1ccc(cc1)O[*:1])c1ccncc1
O=C(N/N=C/c1ccc(OCc2cnc(Cl)s2)cc1)c1ccncc1 Clc1ncc(s1)[*:1] O=C(N/N=C/c1ccc(cc1)OC[*:1])c1ccncc1
CC(C)CCC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])s1 CC(C)CC[*:1] O=C(NNS(=O)(=O)c1ccc(s1)[N+](=O)[O-])[*:1]
CC(C)CCC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])s1 CC(C)[*:1] O=C(CC[*:1])NNS(=O)(=O)c1ccc(s1)[N+](=O)[O-]
CC(C)CCC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] CC(C)CCC(=O)NNS(=O)(=O)c1ccc(s1)[*:1]
CC(C)CCC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])s1 CC(C)C[*:1] O=C(C[*:1])NNS(=O)(=O)c1ccc(s1)[N+](=O)[O-]
CC(C)Oc1ccc(CNC(=O)N(C)[C@H](C)Cc2cccs2)cn1 CC(C)O[*:1] C[C@H](Cc1cccs1)N(C)C(=O)NCc1ccc(nc1)[*:1]
CC(C)Oc1ccc(CNC(=O)N(C)[C@H](C)Cc2cccs2)cn1 CC(C)[*:1] C[C@H](Cc1cccs1)N(C)C(=O)NCc1ccc(nc1)O[*:1]
CC(C)Oc1ccc(CNC(=O)N(C)[C@H](C)Cc2cccs2)cn1 c1csc(c1)[*:1] CC(C)Oc1ccc(cn1)CNC(=O)N(C)[C@H](C)C[*:1]
CC(C)Oc1ccc(CNC(=O)N(C)[C@H](C)Cc2cccs2)cn1 c1csc(c1)C[*:1] CC(C)Oc1ccc(cn1)CNC(=O)N(C)[C@H](C)[*:1]
CCC[C@@H]1NC(=O)N(CCOc2ccccc2C)C1=O CCC[*:1] Cc1ccccc1OCCN1C(=O)N[C@H](C1=O)[*:1]
CCC[NH2+][C@@H](COC)C1(c2ccccc2)CCCC1 CCC[*:1] COC[C@H]([NH2+][*:1])C1(CCCC1)c1ccccc1
CCC[NH2+][C@@H](COC)C1(c2ccccc2)CCCC1 COC[*:1] CCC[NH2+][C@@H](C1(CCCC1)c1ccccc1)[*:1]
CCC[NH2+][C@@H](COC)C1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] CCC[NH2+][C@@H](COC)C1(CCCC1)[*:1]
CCCn1nc(CNC(=O)c2ccc(N(C)C)cc2)c2ccccc21 CN(C)[*:1] CCCn1nc(CNC(=O)c2ccc(cc2)[*:1])c2ccccc21
CCCn1nc(CNC(=O)c2ccc(N(C)C)cc2)c2ccccc21 CCC[*:1] CN(C)c1ccc(cc1)C(=O)NCc1nn(c2ccccc12)[*:1]
O=C(COc1ccccc1Cl)Nc1ccc(C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] O=C(COc1ccccc1Cl)Nc1ccc(cc1)C(=O)N[*:1]
O=C(COc1ccccc1Cl)Nc1ccc(C(=O)NCc2ccco2)cc1 Clc1ccccc1OC[*:1] O=C(NCc1ccco1)c1ccc(cc1)NC(=O)[*:1]
O=C(COc1ccccc1Cl)Nc1ccc(C(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] O=C(COc1ccccc1Cl)Nc1ccc(cc1)[*:1]
O=C(COc1ccccc1Cl)Nc1ccc(C(=O)NCc2ccco2)cc1 Clc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc(cc1)C(=O)NCc1ccco1
O=C(COc1ccccc1Cl)Nc1ccc(C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] O=C(COc1ccccc1Cl)Nc1ccc(cc1)C(=O)NC[*:1]
O=C(COc1ccccc1Cl)Nc1ccc(C(=O)NCc2ccco2)cc1 Clc1ccccc1O[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)NCc1ccco1
Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1 Cc1ccc(o1)[*:1] N#CC(=C[*:1])c1nc(cs1)-c1ccc(Cl)cc1Cl
Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 Cc1ccc(C)c(c1)O[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)C[*:1])C1=O)c1ccccc1
Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)OC[C@H](O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)CO[*:1])C1=O)c1ccccc1
O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC([O-])=N/C(=N\c2ccc(Cl)cc2Cl)N1 Clc1ccc(c(Cl)c1)[*:1] O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC([O-])=NC(=N[*:1])N1
O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC([O-])=N/C(=N\c2ccc(Cl)cc2Cl)N1 Clc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])[C@@H]1CC([O-])=N/C(=N\c2ccc(Cl)cc2Cl)N1
O=C1c2ccccc2N[C@H](/C=C/C2=c3ccccc3=[NH+]C2)N1C1CCCCC1 C1CCC(CC1)[*:1] O=C1c2ccccc2N[C@H](/C=C/C2C[NH+]=c3ccccc3=2)N1[*:1]
C#CCCCC[NH2+][C@H]1CCc2cc3c(cc21)OCCO3 C#CCC[*:1] c1c2CC[C@H]([NH2+]CC[*:1])c2cc2OCCOc12
C#CCCCC[NH2+][C@H]1CCc2cc3c(cc21)OCCO3 C#CCCC[*:1] c1c2CC[C@H]([NH2+]C[*:1])c2cc2OCCOc12
C#CCCCC[NH2+][C@H]1CCc2cc3c(cc21)OCCO3 C#CC[*:1] c1c2CC[C@H]([NH2+]CCC[*:1])c2cc2OCCOc12
COC(=O)C1(NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)CCSCC1 CC(C)[*:1] COC(=O)C1(CCSCC1)NC(=O)[C@H]1C[C@@H]1c1ccc(cc1)[*:1]
COC(=O)C1(NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)CCSCC1 COC(=O)[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NC1(CCSCC1)[*:1]
Brc1csc(CN2CCN(Cc3ccon3)CC2)c1 c1cc(no1)[*:1] Brc1csc(c1)CN1CCN(CC1)C[*:1]
Brc1csc(CN2CCN(Cc3ccon3)CC2)c1 Brc1csc(c1)[*:1] c1cc(CN2CCN(CC2)C[*:1])no1
Brc1csc(CN2CCN(Cc3ccon3)CC2)c1 c1cc(C[*:1])no1 Brc1csc(c1)CN1CCN(CC1)[*:1]
COc1ccc(CC(=O)N[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)-n1ncc2c1CCC[C@H]2NC(=O)C[*:1]
COc1ccc(CC(=O)N[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1)CC(=O)N[C@@H]1CCCc2c1cnn2[*:1]
COc1ccc(CC(=O)N[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cc1 COc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)-n1ncc2c1CCC[C@H]2NC(=O)[*:1]
c1ccc(-c2ncc[nH]2)c(CN2CCC[C@H]2c2nccs2)c1 c1csc(n1)[*:1] c1ccc(-c2ncc[nH]2)c(c1)CN1CCC[C@@H]1[*:1]
c1ccc(-c2ncc[nH]2)c(CN2CCC[C@H]2c2nccs2)c1 c1c[nH]c(n1)[*:1] c1ccc(c(c1)CN1CCC[C@H]1c1nccs1)[*:1]
CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 CCC[*:1] CC(C)(C(=O)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1])[NH+]1CCCC1
CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 CCCC[*:1] CC(C)(C(=O)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1])[NH+]1CCCC1
C[C@@H](CC(=O)[O-])NC(=O)CCn1cccn1 O=C([O-])C[*:1] C[C@@H](NC(=O)CCn1cccn1)[*:1]
C[C@@H](CC(=O)[O-])NC(=O)CCn1cccn1 c1cnn(c1)[*:1] C[C@@H](CC(=O)[O-])NC(=O)CC[*:1]
C[C@@H](CC(=O)[O-])NC(=O)CCn1cccn1 O=C([O-])[*:1] C[C@@H](C[*:1])NC(=O)CCn1cccn1
CC(C)Cn1ncc2cc(C(=O)N3CCOC[C@@H]3CCO)cnc21 CC(C)[*:1] O=C(c1cnc2c(cnn2C[*:1])c1)N1CCOC[C@@H]1CCO
CC(C)Cn1ncc2cc(C(=O)N3CCOC[C@@H]3CCO)cnc21 CC(C)C[*:1] O=C(c1cnc2c(cnn2[*:1])c1)N1CCOC[C@@H]1CCO
CC(C)Cn1ncc2cc(C(=O)N3CCOC[C@@H]3CCO)cnc21 OCC[*:1] CC(C)Cn1ncc2cc(cnc21)C(=O)N1CCOC[C@H]1[*:1]
CO[C@]1(C)C[C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1(C)C c1cn(cn1)[*:1] CO[C@]1(C)C[C@@H](NC(=O)c2ccc(nc2)[*:1])C1(C)C
CN(c1cc(C(N)=O)ccn1)C1CCOCC1 NC(=O)[*:1] CN(c1cc(ccn1)[*:1])C1CCOCC1
C[C@@H]1CCC[C@H](N(C)C(=O)c2cccc(NC(=O)C(C)(C)C)c2)C1 CC(C)(C)[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)c1cccc(c1)NC(=O)[*:1]
C[C@@H]1CCC[C@H](N(C)C(=O)c2cccc(NC(=O)C(C)(C)C)c2)C1 CC(C)(C)C(=O)N[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)c1cccc(c1)[*:1]
CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)Cc1ccc(cc1)C[NH2+]Cc1ccc(cc1)[*:1]
CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1 CS(=O)(=O)[*:1] c1ccc(cc1)-c1ccc(cc1)C[NH2+]Cc1ccc(cc1)C[*:1]
CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1 CS(=O)(=O)C[*:1] c1ccc(cc1)-c1ccc(cc1)C[NH2+]Cc1ccc(cc1)[*:1]
COC(=O)C[C@@H]1CSCCN1C/C=C/c1ccccc1[N+](=O)[O-] COC(=O)[*:1] O=[N+]([O-])c1ccccc1/C=C/CN1CCSC[C@H]1C[*:1]
COC(=O)C[C@@H]1CSCCN1C/C=C/c1ccccc1[N+](=O)[O-] COC(=O)C[*:1] O=[N+]([O-])c1ccccc1/C=C/CN1CCSC[C@H]1[*:1]
COC(=O)C[C@@H]1CSCCN1C/C=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)C[C@@H]1CSCCN1C/C=C/c1ccccc1[*:1]
CC(C)N(C(=O)Cc1ccon1)c1ccc(Cl)c(Cl)c1 c1cc(no1)[*:1] CC(C)N(C(=O)C[*:1])c1ccc(Cl)c(Cl)c1
CC(C)N(C(=O)Cc1ccon1)c1ccc(Cl)c(Cl)c1 CC(C)[*:1] O=C(Cc1ccon1)N(c1ccc(Cl)c(Cl)c1)[*:1]
CC(C)N(C(=O)Cc1ccon1)c1ccc(Cl)c(Cl)c1 c1cc(C[*:1])no1 CC(C)N(C(=O)[*:1])c1ccc(Cl)c(Cl)c1
C[C@H](C1CC1)N(C)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 C1CC1[*:1] C[C@H](N(C)C(=O)Cc1ccc(cc1)S(=O)(=O)C(F)F)[*:1]
C[C@H](C1CC1)N(C)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] C[C@H](C1CC1)N(C)C(=O)Cc1ccc(cc1)[*:1]
C[C@H](C1CC1)N(C)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] C[C@H](C1CC1)N(C)C(=O)Cc1ccc(cc1)S(=O)(=O)[*:1]
CC[C@@H](C)NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)N1CCC(CC1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 CC[C@@H](C)[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)N[*:1]
C[NH+](CCN1CCOCC1)CC1=Cc2ccccc2OC1 C1CN(CCO1)C[*:1] C[NH+](CC1=Cc2ccccc2OC1)C[*:1]
C[NH+](CCN1CCOCC1)CC1=Cc2ccccc2OC1 C1CN(CCO1)[*:1] C[NH+](CC[*:1])CC1=Cc2ccccc2OC1
CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)Cc2cnc(Cl)s2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H](C1)S(=O)(=O)Cc1cnc(Cl)s1
CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)Cc2cnc(Cl)s2)C1 Clc1ncc(C[*:1])s1 CC(C)(C)OC(=O)N1CC[C@H](C1)S(=O)(=O)[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)Cc2cnc(Cl)s2)C1 Clc1ncc(s1)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)S(=O)(=O)C[*:1]
COc1ccc([C@@H]2[C@@H](C(N)=O)C(C)=Nc3nc(-c4ccccc4OC)nn32)cc1 COc1ccccc1[*:1] COc1ccc(cc1)[C@@H]1[C@@H](C(N)=O)C(C)=Nc2nc(nn21)[*:1]
COc1ccc([C@@H]2[C@@H](C(N)=O)C(C)=Nc3nc(-c4ccccc4OC)nn32)cc1 NC(=O)[*:1] COc1ccc(cc1)[C@@H]1[C@@H](C(C)=Nc2nc(nn21)-c1ccccc1OC)[*:1]
COc1ccc([C@@H]2[C@@H](C(N)=O)C(C)=Nc3nc(-c4ccccc4OC)nn32)cc1 COc1ccc(cc1)[*:1] COc1ccccc1-c1nc2N=C(C)[C@H](C(N)=O)[C@H](n2n1)[*:1]
Cc1cc(C(=O)NCc2ccc(OCc3ccccc3)cc2)c(C)o1 c1ccc(cc1)CO[*:1] Cc1cc(C(=O)NCc2ccc(cc2)[*:1])c(C)o1
Cc1cc(C(=O)NCc2ccc(OCc3ccccc3)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NCc1ccc(cc1)OCc1ccccc1)[*:1]
Cc1cc(C(=O)NCc2ccc(OCc3ccccc3)cc2)c(C)o1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)NCc2ccc(cc2)O[*:1])c(C)o1
Cc1cc(C(=O)NCc2ccc(OCc3ccccc3)cc2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NCc2ccc(cc2)OC[*:1])c(C)o1
CC(C)N(Cc1ccc([N+](=O)[O-])c(O)c1)CC(F)F O=[N+]([O-])[*:1] CC(C)N(Cc1ccc(c(O)c1)[*:1])CC(F)F
CC(C)N(Cc1ccc([N+](=O)[O-])c(O)c1)CC(F)F FC(F)C[*:1] CC(C)N(Cc1ccc(c(O)c1)[N+](=O)[O-])[*:1]
CC(C)N(Cc1ccc([N+](=O)[O-])c(O)c1)CC(F)F FC(F)[*:1] CC(C)N(Cc1ccc(c(O)c1)[N+](=O)[O-])C[*:1]
CC(C)N(Cc1ccc([N+](=O)[O-])c(O)c1)CC(F)F CC(C)[*:1] O=[N+]([O-])c1ccc(cc1O)CN(CC(F)F)[*:1]
Cc1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(nc2c1CCC(=O)N2[*:1])[C@H]1CCCN(C1)C(=O)c1ccccn1
Cc1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(nc2c1CCC(=O)N2C[*:1])[C@H]1CCCN(C1)C(=O)c1ccccn1
Cc1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1 c1ccc(nc1)[*:1] Cc1nc(nc2c1CCC(=O)N2Cc1ccccc1)[C@H]1CCCN(C1)C(=O)[*:1]
CCOc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)cc1OC O=[N+]([O-])[*:1] CCOc1ccc(cc1OC)[C@@H](C)Nc1ccc(cc1C#N)[*:1]
CCOc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H](C)Nc1ccc(cc1C#N)[N+](=O)[O-]
CCCn1c(-c2ccc(SC)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 CCC[*:1] CSc1ccc(cc1)-c1nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)n1[*:1]
CCCn1c(-c2ccc(SC)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 c1ccc(cc1)C[*:1] CCCn1c(nc2c1c(=O)[nH]c(=O)n2[*:1])-c1ccc(cc1)SC
CCCn1c(-c2ccc(SC)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 c1ccc(cc1)[*:1] CCCn1c(nc2c1c(=O)[nH]c(=O)n2C[*:1])-c1ccc(cc1)SC
CCCn1c(-c2ccc(SC)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 CSc1ccc(cc1)[*:1] CCCn1c(nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)[*:1]
Cc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccccc2)s1 Cc1ccc(s1)[*:1] O=C(CCC(=O)Nc1ccccc1)NN=C[*:1]
Cc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(/C=N/NC(=O)CCC(=O)N[*:1])s1
CNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1Cl CNC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])[C@@H]1CCCC[C@H]1C(F)(F)F
CNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1Cl FC(F)(F)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)[C@@H]1CCCC[C@@H]1[*:1]
C[C@@H]1CCC[C@@H](C[NH2+]CCc2nnc(-c3ccccc3)o2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C[NH2+]CCc2nnc(o2)[*:1])C1
CCOc1ccc(-n2cccc2/C=C(/C#N)C2[NH+]=c3ccccc3=[NH+]2)cc1 CCO[*:1] N#C/C(=C/c1cccn1-c1ccc(cc1)[*:1])C1[NH+]=c2ccccc2=[NH+]1
CCOc1ccc(-n2cccc2/C=C(/C#N)C2[NH+]=c3ccccc3=[NH+]2)cc1 CCOc1ccc(cc1)[*:1] N#C/C(=C/c1cccn1[*:1])C1[NH+]=c2ccccc2=[NH+]1
CC(C)C(=O)NCCc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)C(=O)NCCc1csc(n1)[*:1]
CC(C)C(=O)NCCc1csc(-c2ccccc2)n1 CC(C)C(=O)N[*:1] c1ccc(cc1)-c1nc(cs1)CC[*:1]
CC(C)C(=O)NCCc1csc(-c2ccccc2)n1 CC(C)[*:1] O=C(NCCc1csc(n1)-c1ccccc1)[*:1]
C[C@H]1CCCCN1C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)C1CCN(CC1)C(=O)N(C)C[*:1]
C[C@H]1CCCCN1C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H]1CCCCN1C(=O)C1CCN(CC1)C(=O)N(C)[*:1]
Cc1ccsc1C(=O)NC[C@@H](CCO)c1ccccc1 OCC[*:1] Cc1ccsc1C(=O)NC[C@@H](c1ccccc1)[*:1]
Cc1ccsc1C(=O)NC[C@@H](CCO)c1ccccc1 Cc1ccsc1[*:1] O=C(NC[C@@H](CCO)c1ccccc1)[*:1]
Cc1ccsc1C(=O)NC[C@@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccsc1C(=O)NC[C@@H](CCO)[*:1]
O=C(CCC(F)(F)F)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 Fc1cccc(Cl)c1[*:1] O=C(CCC(F)(F)F)NC[C@@H]([NH+]1CCCC1)[*:1]
O=C(CCC(F)(F)F)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 FC(F)(F)CC[*:1] O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[*:1]
O=C(CCC(F)(F)F)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 FC(F)(F)[*:1] O=C(CC[*:1])NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1
O=C(CCC(F)(F)F)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 FC(F)(F)C[*:1] O=C(C[*:1])NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1
C[C@H](c1nc(-c2ccc(Oc3ccccc3)nc2)no1)[NH+]1CCSCC1 c1ccc(cc1)[*:1] C[C@H](c1nc(no1)-c1ccc(nc1)O[*:1])[NH+]1CCSCC1
C[C@H](c1nc(-c2ccc(Oc3ccccc3)nc2)no1)[NH+]1CCSCC1 c1ccc(cc1)O[*:1] C[C@H](c1nc(no1)-c1ccc(nc1)[*:1])[NH+]1CCSCC1
Cc1nn(C)c2ncc(C(=O)N[C@@H](C)[C@H]3CCCO3)cc12 C1CO[C@H](C1)[*:1] Cc1nn(C)c2ncc(cc12)C(=O)N[C@@H](C)[*:1]
Cc1cc2nc(-c3ccccc3)cc(NC[C@@H]3CC(=O)N(C4CC4)C3)n2n1 c1ccc(cc1)[*:1] Cc1cc2nc(cc(NC[C@@H]3CC(=O)N(C3)C3CC3)n2n1)[*:1]
Cc1cc2nc(-c3ccccc3)cc(NC[C@@H]3CC(=O)N(C4CC4)C3)n2n1 C1CC1[*:1] Cc1cc2nc(cc(NC[C@@H]3CC(=O)N(C3)[*:1])n2n1)-c1ccccc1
CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCC[C@@H](C)C2)c1=O CC(C)[*:1] CC(C)CNC(=O)c1cn(cc(C(=O)N2CCC[C@@H](C)C2)c1=O)[*:1]
CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCC[C@@H](C)C2)c1=O CC(C)C[*:1] CC(C)n1cc(C(=O)N[*:1])c(=O)c(c1)C(=O)N1CCC[C@@H](C)C1
CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCC[C@@H](C)C2)c1=O CC(C)[*:1] CC(C)n1cc(C(=O)NC[*:1])c(=O)c(c1)C(=O)N1CCC[C@@H](C)C1
CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCC[C@@H](C)C2)c1=O CC(C)CNC(=O)[*:1] CC(C)n1cc(C(=O)N2CCC[C@@H](C)C2)c(=O)c(c1)[*:1]
CCCC(CCC)CC(=O)Nc1nonc1C CCC[*:1] CCCC(CC(=O)Nc1nonc1C)[*:1]
CC[C@H]1CN(C(=O)CCC(N)=O)CCC(=O)N1Cc1ccccc1 NC(=O)[*:1] CC[C@H]1CN(CCC(=O)N1Cc1ccccc1)C(=O)CC[*:1]
CC[C@H]1CN(C(=O)CCC(N)=O)CCC(=O)N1Cc1ccccc1 NC(=O)C[*:1] CC[C@H]1CN(CCC(=O)N1Cc1ccccc1)C(=O)C[*:1]
CC[C@H]1CN(C(=O)CCC(N)=O)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@H]1CN(CCC(=O)N1[*:1])C(=O)CCC(N)=O
CC[C@H]1CN(C(=O)CCC(N)=O)CCC(=O)N1Cc1ccccc1 NC(=O)CC[*:1] CC[C@H]1CN(CCC(=O)N1Cc1ccccc1)C(=O)[*:1]
CC[C@H]1CN(C(=O)CCC(N)=O)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CCC(=O)N1C[*:1])C(=O)CCC(N)=O
CN(C)C(=O)N1CCN(C(=O)c2ncccc2[O-])[C@H]2CS(=O)(=O)C[C@H]21 [O-]c1cccnc1[*:1] CN(C)C(=O)N1CCN(C(=O)[*:1])[C@H]2CS(=O)(=O)C[C@H]21
Cc1cccc2sc(NC(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc12 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cccc2sc(nc12)NC(=O)c1ccc(o1)[*:1]
Cc1cccc2sc(NC(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc12 O=[N+]([O-])[*:1] Cc1cccc2sc(nc12)NC(=O)c1ccc(o1)-c1ccc(cc1)[*:1]
Cc1c(/C=C/C(=O)[O-])cccc1C(=O)N1C[C@@H](C)[C@@H](C)C1 O=C([O-])C=C[*:1] Cc1c(cccc1[*:1])C(=O)N1C[C@@H](C)[C@@H](C)C1
Cc1c(/C=C/C(=O)[O-])cccc1C(=O)N1C[C@@H](C)[C@@H](C)C1 O=C([O-])[*:1] Cc1c(C=C[*:1])cccc1C(=O)N1C[C@@H](C)[C@@H](C)C1
N#C/C(C(=O)N1CCCC1)=C(\[O-])c1cccc(OCc2cscn2)c1 c1nc(cs1)[*:1] N#C/C(C(=O)N1CCCC1)=C(\[O-])c1cccc(c1)OC[*:1]
N#C/C(C(=O)N1CCCC1)=C(\[O-])c1cccc(OCc2cscn2)c1 c1nc(cs1)C[*:1] N#C/C(C(=O)N1CCCC1)=C(\[O-])c1cccc(c1)O[*:1]
N#C/C(C(=O)N1CCCC1)=C(\[O-])c1cccc(OCc2cscn2)c1 c1nc(cs1)CO[*:1] N#C/C(C(=O)N1CCCC1)=C(\[O-])c1cccc(c1)[*:1]
N#C/C(C(=O)N1CCCC1)=C(\[O-])c1cccc(OCc2cscn2)c1 O=C(N1CCCC1)[*:1] N#CC(=C([O-])c1cccc(c1)OCc1cscn1)[*:1]
COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1OC Cn1ccc2cc(ccc21)[*:1] COc1ccc(cc1OC)NC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1OC COc1ccc(cc1OC)[*:1] Cn1ccc2cc(ccc21)S(=O)(=O)N1CCN(CC1)C(=O)N[*:1]
CCOCCCC(=O)NC1(C)Cc2ccccc2C1 CCOC[*:1] CC1(Cc2ccccc2C1)NC(=O)CC[*:1]
CCOCCCC(=O)NC1(C)Cc2ccccc2C1 CCOCCC[*:1] CC1(Cc2ccccc2C1)NC(=O)[*:1]
CCOCCCC(=O)NC1(C)Cc2ccccc2C1 CCOCC[*:1] CC1(Cc2ccccc2C1)NC(=O)C[*:1]
CCOCCCC(=O)NC1(C)Cc2ccccc2C1 CCO[*:1] CC1(Cc2ccccc2C1)NC(=O)CCC[*:1]
O=C1CCCN1c1cccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C1CCCN1c1cccc(c1)N[C@@H]1CCN(C1=O)[*:1]
O=C1CCCN1c1cccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 O=[N+]([O-])[*:1] O=C1CCCN1c1cccc(c1)N[C@@H]1CCN(C1=O)c1cccc(c1)[*:1]
O=C1CCCN1c1cccc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 O=C1CCCN1[*:1] O=C1[C@@H](CCN1c1cccc(c1)[N+](=O)[O-])Nc1cccc(c1)[*:1]
Cn1ccnc(N[C@H](COc2ccccc2F)c2ccccc2)c1=O Cn1ccnc(c1=O)[*:1] Fc1ccccc1OC[C@@H](N[*:1])c1ccccc1
Cn1ccnc(N[C@H](COc2ccccc2F)c2ccccc2)c1=O Fc1ccccc1O[*:1] Cn1ccnc(N[C@H](C[*:1])c2ccccc2)c1=O
Cn1ccnc(N[C@H](COc2ccccc2F)c2ccccc2)c1=O Fc1ccccc1[*:1] Cn1ccnc(N[C@H](CO[*:1])c2ccccc2)c1=O
Cn1ccnc(N[C@H](COc2ccccc2F)c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1ccnc(N[C@H](COc2ccccc2F)[*:1])c1=O
CC(C)c1nn(C)c2sc(C(=O)N(C)[C@@H](C)Cc3ccsc3)cc12 c1cc(cs1)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N(C)[C@@H](C)C[*:1]
CC(C)c1nn(C)c2sc(C(=O)N(C)[C@@H](C)Cc3ccsc3)cc12 C[C@@H](Cc1ccsc1)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N(C)[*:1]
CC(C)c1nn(C)c2sc(C(=O)N(C)[C@@H](C)Cc3ccsc3)cc12 c1cc(cs1)C[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N(C)[C@@H](C)[*:1]
CC(C)c1nn(C)c2sc(C(=O)N(C)[C@@H](C)Cc3ccsc3)cc12 CC(C)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)c1cc2c(nn(C)c2s1)[*:1]
COc1cccc(OCC2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)CC2)c1 COc1cccc(c1)[*:1] O=C1COc2ncc(cc2N1)C(=O)N1CCC(CC1)CO[*:1]
COc1cccc(OCC2CCN(C(=O)c3cnc4c(c3)NC(=O)CO4)CC2)c1 COc1cccc(c1)O[*:1] O=C1COc2ncc(cc2N1)C(=O)N1CCC(CC1)C[*:1]
COc1ccc2[nH]cc([C@@H](C)[NH2+]Cc3cc(C)oc3C)c2c1 Cc1cc(c(C)o1)[*:1] COc1ccc2[nH]cc(c2c1)[C@@H](C)[NH2+]C[*:1]
OCCSc1ccc(F)cc1 OCC[*:1] Fc1ccc(cc1)S[*:1]
Cc1cnc(NC(=O)c2cn(CC(=O)N(C)C)nn2)s1 Cc1cnc(s1)[*:1] CN(C)C(=O)Cn1cc(nn1)C(=O)N[*:1]
Cc1cnc(NC(=O)c2cn(CC(=O)N(C)C)nn2)s1 CN(C)C(=O)[*:1] Cc1cnc(NC(=O)c2cn(C[*:1])nn2)s1
Cc1cnc(NC(=O)c2cn(CC(=O)N(C)C)nn2)s1 CN(C)C(=O)C[*:1] Cc1cnc(NC(=O)c2cn(nn2)[*:1])s1
COC(=O)c1c(SCC(=O)NCc2ccccc2Cl)[nH]c2ccccc2c1=O Clc1ccccc1C[*:1] COC(=O)c1c([nH]c2ccccc2c1=O)SCC(=O)N[*:1]
COC(=O)c1c(SCC(=O)NCc2ccccc2Cl)[nH]c2ccccc2c1=O Clc1ccccc1[*:1] COC(=O)c1c([nH]c2ccccc2c1=O)SCC(=O)NC[*:1]
COC(=O)c1c(SCC(=O)NCc2ccccc2Cl)[nH]c2ccccc2c1=O COC(=O)[*:1] O=C(CSc1[nH]c2ccccc2c(=O)c1[*:1])NCc1ccccc1Cl
CNS(=O)(=O)c1ccc2[nH]c(O)cc2c1 CNS(=O)(=O)[*:1] Oc1cc2cc(ccc2[nH]1)[*:1]
COC[C@@H](C)NS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl COC[*:1] C[C@@H](NS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl)[*:1]
COC[C@@H](C)NS(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl COC[C@@H](C)[*:1] O=c1[nH]c2cc(Br)c(c(Cl)c2o1)S(=O)(=O)N[*:1]
COC[C@@H]1CCCN(C(=O)N[C@@H](c2ccccn2)c2ccccc2OC)C1 COc1ccccc1[*:1] COC[C@@H]1CCCN(C1)C(=O)N[C@@H](c1ccccn1)[*:1]
COC[C@@H]1CCCN(C(=O)N[C@@H](c2ccccn2)c2ccccc2OC)C1 c1ccc(nc1)[*:1] COC[C@@H]1CCCN(C1)C(=O)N[C@@H](c1ccccc1OC)[*:1]
COC[C@@H]1CCCN(C(=O)N[C@@H](c2ccccn2)c2ccccc2OC)C1 COC[*:1] COc1ccccc1[C@@H](NC(=O)N1CCC[C@H](C1)[*:1])c1ccccn1
CC1(C)CCCC[C@@H]1Nc1ccc(S(N)(=O)=O)cc1Br NS(=O)(=O)[*:1] CC1(C)CCCC[C@@H]1Nc1ccc(cc1Br)[*:1]
C/[NH+]=C(/NCc1csc(C(C)C)n1)NC1CCCCC1 C1CCC(CC1)[*:1] C/[NH+]=C(/NCc1csc(n1)C(C)C)N[*:1]
C/[NH+]=C(/NCc1csc(C(C)C)n1)NC1CCCCC1 CC(C)[*:1] C/[NH+]=C(/NCc1csc(n1)[*:1])NC1CCCCC1
CCc1noc(C[S@@](=O)CC(=O)Nc2cc(F)cc(F)c2)n1 CCc1noc(n1)[*:1] O=C(C[S@](=O)C[*:1])Nc1cc(F)cc(F)c1
O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccnc2)nc2ccccc12 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])c1cc(nc2ccccc12)-c1cccnc1
O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccnc2)nc2ccccc12 c1cncc(c1)[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cc(nc2ccccc12)[*:1]
CCN[C@]1(C(=O)OC)CC[C@H](SCCO)C1 OCCS[*:1] CCN[C@@]1(CC[C@H](C1)[*:1])C(=O)OC
CCN[C@]1(C(=O)OC)CC[C@H](SCCO)C1 OCC[*:1] CCN[C@@]1(CC[C@@H](C1)S[*:1])C(=O)OC
CCN[C@]1(C(=O)OC)CC[C@H](SCCO)C1 CCN[*:1] COC(=O)[C@@]1(CC[C@@H](C1)SCCO)[*:1]
CCN[C@]1(C(=O)OC)CC[C@H](SCCO)C1 COC(=O)[*:1] CCN[C@@]1(CC[C@@H](C1)SCCO)[*:1]
Nc1ccc2[nH]cc(C(=O)[O-])c2c1 O=C([O-])[*:1] Nc1ccc2[nH]cc(c2c1)[*:1]
CC[C@H](C)NS(=O)(=O)c1cc(C)ccc1C CC[C@H](C)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N[*:1]
Cc1occc1-c1nnc(SCc2coc(-c3ccccc3)n2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])SCc1coc(n1)-c1ccccc1
Cc1occc1-c1nnc(SCc2coc(-c3ccccc3)n2)n1C c1ccc(cc1)[*:1] Cc1occc1-c1nnc(SCc2coc(n2)[*:1])n1C
C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)c1cc3ccc(OCCC)cc3oc1=O)C2 CCCO[*:1] C=C1C(C)(C)[C@@H]2CC[C@]1(C2)C(=O)NNC(=O)c1cc2ccc(cc2oc1=O)[*:1]
CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(=O)NC CCN(CC)C(=O)[*:1] CNC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H](C)C[*:1]
CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(=O)NC CNC(=O)[*:1] CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[*:1]
CCCO[C@@H]1N=C(c2ccccc2)c2cc(C)ccc2NC1=O CCC[*:1] Cc1ccc2NC(=O)[C@@H](N=C(c3ccccc3)c2c1)O[*:1]
CCCO[C@@H]1N=C(c2ccccc2)c2cc(C)ccc2NC1=O c1ccc(cc1)[*:1] CCCO[C@@H]1N=C(c2cc(C)ccc2NC1=O)[*:1]
CCCO[C@@H]1N=C(c2ccccc2)c2cc(C)ccc2NC1=O CCCO[*:1] Cc1ccc2NC(=O)[C@@H](N=C(c3ccccc3)c2c1)[*:1]
Cc1cccc(C)c1NC(=O)c1ccc2c(c1)ncn2-c1ccccc1 Cc1cccc(C)c1[*:1] O=C(N[*:1])c1ccc2c(c1)ncn2-c1ccccc1
Cc1cccc(C)c1NC(=O)c1ccc2c(c1)ncn2-c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)c1ccc2c(c1)ncn2[*:1]
O=C(CCC1CCCCC1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 C1CCC(CC1)C[*:1] O=C(C[*:1])N1CCN(CC1)c1ccnc(n1)N1CCOCC1
O=C(CCC1CCCCC1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 C1CN(CCO1)[*:1] O=C(CCC1CCCCC1)N1CCN(CC1)c1ccnc(n1)[*:1]
O=C(CCC1CCCCC1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 C1CCC(CC1)CC[*:1] O=C(N1CCN(CC1)c1ccnc(n1)N1CCOCC1)[*:1]
O=C(CCC1CCCCC1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 C1CCC(CC1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccnc(n1)N1CCOCC1
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 CC(C)[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](NC(=O)c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 O=C(N[*:1])c1ccccc1 CC(C)[C@H](C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)N[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
COc1ccc([C@@H]2CC(=O)c3cnn(-c4ccc(C)cc4)c3C2)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(=O)c2cnn(c2C1)[*:1]
O=S1(=O)C[C@@H]2N=C(SCc3ccccc3Cl)N(c3cccc(Cl)c3)[C@H]2C1 Clc1cccc(c1)[*:1] O=S1(=O)C[C@@H]2N=C(SCc3ccccc3Cl)N([C@H]2C1)[*:1]
O=S1(=O)C[C@@H]2N=C(SCc3ccccc3Cl)N(c3cccc(Cl)c3)[C@H]2C1 Clc1ccccc1C[*:1] O=S1(=O)C[C@@H]2N=C(S[*:1])N(c3cccc(Cl)c3)[C@H]2C1
O=S1(=O)C[C@@H]2N=C(SCc3ccccc3Cl)N(c3cccc(Cl)c3)[C@H]2C1 Clc1ccccc1[*:1] O=S1(=O)C[C@@H]2N=C(SC[*:1])N(c3cccc(Cl)c3)[C@H]2C1
O=C1c2ccccc2C(=O)N1CCSCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C1c2ccccc2C(=O)N1CCSCc1ccc(cc1)[*:1]
CNC(=O)[C@@H]1CC(=O)N/C(=N\N=C(/C)c2cccs2)S1 c1csc(c1)[*:1] CNC(=O)[C@@H]1CC(=O)N/C(=N\N=C(C)[*:1])S1
CNC(=O)[C@@H]1CC(=O)N/C(=N\N=C(/C)c2cccs2)S1 CNC(=O)[*:1] C/C(=N\N=C1/NC(=O)C[C@H](S1)[*:1])c1cccs1
O=C(NCCCc1nc2ccccc2o1)c1cnc(-c2cccs2)nc1[O-] c1ccc2oc(nc2c1)[*:1] O=C(NCCC[*:1])c1cnc(nc1[O-])-c1cccs1
O=C(NCCCc1nc2ccccc2o1)c1cnc(-c2cccs2)nc1[O-] c1csc(c1)[*:1] O=C(NCCCc1nc2ccccc2o1)c1cnc(nc1[O-])[*:1]
C=CCOCC1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 c1ccc(cc1)[*:1] C=CCOCC1CCN(CC1)C(=O)c1cc(on1)[*:1]
C=CCOCC1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 C=CC[*:1] O=C(c1cc(on1)-c1ccccc1)N1CCC(CC1)CO[*:1]
C=CCOCC1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 C=CCOC[*:1] O=C(c1cc(on1)-c1ccccc1)N1CCC(CC1)[*:1]
C=CCOCC1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 C=CCO[*:1] O=C(c1cc(on1)-c1ccccc1)N1CCC(CC1)C[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)Cc1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)Cc1ccccc1[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)Cc1ccccc1C(F)(F)F c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)Cc1ccccc1C(F)(F)F)[*:1]
CCCC[C@H](CC)C(=O)N[C@H](C)c1c(C)noc1C CCC[*:1] CC[C@@H](C[*:1])C(=O)N[C@H](C)c1c(C)noc1C
CCCC[C@H](CC)C(=O)N[C@H](C)c1c(C)noc1C CCCC[*:1] CC[C@H](C(=O)N[C@H](C)c1c(C)noc1C)[*:1]
CCc1c(C)sc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1C#N O=[N+]([O-])[*:1] CCc1c(C)sc(NC(=O)CCn2nc(C)c(c2C)[*:1])c1C#N
CCOc1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCCCCC2)s1 CCOc1ccccc1[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)N1CCCCCC1
CCOc1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCCCCC2)s1 CCO[*:1] O=C(Nc1nnc(SCC(=O)N2CCCCCC2)s1)c1ccccc1[*:1]
CCOc1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCCCCC2)s1 O=C(N1CCCCCC1)[*:1] CCOc1ccccc1C(=O)Nc1nnc(SC[*:1])s1
Cc1cc(NC(=O)c2ccc(CN3CC(=O)N4CCCC[C@H]4C3=O)cc2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(N[*:1])c1ccc(cc1)CN1CC(=O)N2CCCC[C@H]2C1=O
CC(C)(C(=O)N1CCn2c(nnc2C(F)(F)F)C1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)(C(=O)N1CCn2c(C1)nnc2C(F)(F)F)[*:1]
CC(C)(C(=O)N1CCn2c(nnc2C(F)(F)F)C1)c1cccc(C#N)c1 FC(F)(F)[*:1] CC(C)(C(=O)N1CCn2c(C1)nnc2[*:1])c1cccc(C#N)c1
O=C(c1ccnc(OC2CCC2)c1)N1CC(O)C1 C1CC(C1)[*:1] O=C(c1ccnc(c1)O[*:1])N1CC(O)C1
O=C(c1ccnc(OC2CCC2)c1)N1CC(O)C1 C1CC(C1)O[*:1] O=C(c1ccnc(c1)[*:1])N1CC(O)C1
COC(=O)[C@@H]1C[C@H](O)CN1C/C=C/c1ccc(F)cc1 COC(=O)[*:1] O[C@H]1C[C@H](N(C/C=C/c2ccc(F)cc2)C1)[*:1]
CC(C)(C)OC(=O)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] CC(C)(C)OC(=O)N1N=C(C[C@]1(O)[*:1])c1ccc(F)cc1
CC(C)(C)OC(=O)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F CC(C)(C)[*:1] O=C(O[*:1])N1N=C(C[C@@]1(O)C(F)(F)F)c1ccc(F)cc1
CC(C)(C)OC(=O)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F Fc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
C=CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 c1ccc(cc1)[*:1] C=CSc1nc(c([nH]1)-c1ccccc1)[*:1]
C=CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 C=CS[*:1] c1ccc(cc1)-c1nc([nH]c1-c1ccccc1)[*:1]
CCN(C)C(=O)c1cccc(C(=O)N2CCN(CCOC(C)C)CC2)c1 CC(C)[*:1] CCN(C)C(=O)c1cccc(c1)C(=O)N1CCN(CCO[*:1])CC1
CCN(C)C(=O)c1cccc(C(=O)N2CCN(CCOC(C)C)CC2)c1 CC(C)OCC[*:1] CCN(C)C(=O)c1cccc(c1)C(=O)N1CCN(CC1)[*:1]
CCN(C)C(=O)c1cccc(C(=O)N2CCN(CCOC(C)C)CC2)c1 CC(C)O[*:1] CCN(C)C(=O)c1cccc(c1)C(=O)N1CCN(CC1)CC[*:1]
CCN(C)C(=O)c1cccc(C(=O)N2CCN(CCOC(C)C)CC2)c1 CC(C)OC[*:1] CCN(C)C(=O)c1cccc(c1)C(=O)N1CCN(CC1)C[*:1]
CCN(C)C(=O)c1cccc(C(=O)N2CCN(CCOC(C)C)CC2)c1 CCN(C)C(=O)[*:1] CC(C)OCCN1CCN(CC1)C(=O)c1cccc(c1)[*:1]
C[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)C(=O)N1CCCC1 Fc1ccc(c(F)c1)[*:1] C[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1[*:1])C(=O)N1CCCC1
C[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@@H](Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)[*:1]
O=C(CCN1CCN(c2cccc[nH+]2)CC1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CCN1CCN(CC1)c1cccc[nH+]1)NC[*:1]
Cc1cc(C)c(C#N)c(SCC(=O)OC(C)C)n1 CC(C)OC(=O)[*:1] Cc1cc(C)c(C#N)c(n1)SC[*:1]
Cc1cc(C)c(C#N)c(SCC(=O)OC(C)C)n1 CC(C)[*:1] Cc1cc(C)c(C#N)c(n1)SCC(=O)O[*:1]
CSCc1csc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1 CSC[*:1] O=C(Nc1nc(cs1)[*:1])C12CC3CC(CC(C3)C1)C2
CN(CCc1ccccn1)C(=O)c1ccc2ccccc2c1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)c1ccc2ccccc2c1
CN(CCc1ccccn1)C(=O)c1ccc2ccccc2c1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)c1ccc2ccccc2c1
O=[N+]([O-])c1cccnc1N1CCSCC1 O=[N+]([O-])[*:1] c1cnc(c(c1)[*:1])N1CCSCC1
COC(=O)c1sccc1NC(=O)N1CCOc2ccc(CN(C(C)=O)c3ccc(C)cc3)cc2C1 Cc1ccc(cc1)[*:1] COC(=O)c1sccc1NC(=O)N1CCOc2ccc(cc2C1)CN(C(C)=O)[*:1]
COC(=O)c1sccc1NC(=O)N1CCOc2ccc(CN(C(C)=O)c3ccc(C)cc3)cc2C1 COC(=O)[*:1] CC(=O)N(Cc1ccc2OCCN(Cc2c1)C(=O)Nc1ccsc1[*:1])c1ccc(C)cc1
COC(=O)c1sccc1NC(=O)N1CCOc2ccc(CN(C(C)=O)c3ccc(C)cc3)cc2C1 COC(=O)c1sccc1[*:1] CC(=O)N(Cc1ccc2OCCN(Cc2c1)C(=O)N[*:1])c1ccc(C)cc1
COC(=O)c1sccc1NC(=O)N1CCOc2ccc(CN(C(C)=O)c3ccc(C)cc3)cc2C1 CC(=O)N(c1ccc(C)cc1)[*:1] COC(=O)c1sccc1NC(=O)N1CCOc2ccc(cc2C1)C[*:1]
CCc1ccccc1NC(=O)[C@@H](C)N1CCc2cc(F)ccc2C1 CCc1ccccc1[*:1] C[C@H](C(=O)N[*:1])N1CCc2cc(F)ccc2C1
C[C@@H](CS(C)(=O)=O)NC(=O)c1cccc(Br)n1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])NC(=O)c1cccc(Br)n1
C[C@@H](CS(C)(=O)=O)NC(=O)c1cccc(Br)n1 CS(=O)(=O)C[*:1] C[C@@H](NC(=O)c1cccc(Br)n1)[*:1]
O=C(Nc1ccccc1)[C@@H](NCC1(CO)COC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H](NCC1(CO)COC1)c1ccccc1
O=C(Nc1ccccc1)[C@@H](NCC1(CO)COC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)[C@@H](NCC1(CO)COC1)[*:1]
Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1Cc1ccccc1 CC(C)[*:1] Cc1c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1Cc1ccccc1
Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1C[*:1]
Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1[*:1]
Cc1c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1Cc1ccccc1 CC(C)C[*:1] Cc1c(C)n2c3c(=O)n(c(=O)n(C)c3nc2n1Cc1ccccc1)[*:1]
O=C(NCc1cn(-c2ccccc2)nn1)c1cccnc1 c1cncc(c1)[*:1] O=C(NCc1cn(nn1)-c1ccccc1)[*:1]
O=C(NCc1cn(-c2ccccc2)nn1)c1cccnc1 c1ccc(cc1)[*:1] O=C(NCc1cn(nn1)[*:1])c1cccnc1
CC(C)[C@H](CO)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 CC(C)[*:1] CC(C)[C@H](CO)[NH2+][C@@H]1CCO[C@@H](C1)[*:1]
CC(C)[C@H](CO)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 CC(C)[*:1] CC(C)[C@H]1C[C@@H](CCO1)[NH2+][C@@H](CO)[*:1]
COC(=O)[C@H](Cc1ccc(F)cc1)NC(C)=O CC(=O)N[*:1] COC(=O)[C@H](Cc1ccc(F)cc1)[*:1]
COC(=O)[C@H](Cc1ccc(F)cc1)NC(C)=O COC(=O)[*:1] CC(=O)N[C@@H](Cc1ccc(F)cc1)[*:1]
Cc1cc(N)c(C)c(S(=O)(=O)NC[C@@H]2COCCO2)c1 C1CO[C@@H](CO1)[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)NC[*:1]
CCOc1ccccc1C[NH+](CC)Cc1ccccc1 CCO[*:1] CC[NH+](Cc1ccccc1)Cc1ccccc1[*:1]
CCOc1ccccc1C[NH+](CC)Cc1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1C[NH+](CC)C[*:1]
CC(C)Cn1nc(C(=O)OC[C@@H]2CCC(=O)N2)c2ccccc2c1=O CC(C)C[*:1] O=C1CC[C@@H](COC(=O)c2nn(c(=O)c3ccccc23)[*:1])N1
CC(C)Cn1nc(C(=O)OC[C@@H]2CCC(=O)N2)c2ccccc2c1=O CC(C)[*:1] O=C1CC[C@@H](COC(=O)c2nn(C[*:1])c(=O)c3ccccc23)N1
CC1(CNC(=O)C[C@@H]([NH3+])c2ccccc2)COC1 c1ccc(cc1)[*:1] CC1(CNC(=O)C[C@@H]([NH3+])[*:1])COC1
CC1(CNC(=O)C[C@@H]([NH3+])c2ccccc2)COC1 CC1(COC1)[*:1] [NH3+][C@H](CC(=O)NC[*:1])c1ccccc1
CC1(CNC(=O)C[C@@H]([NH3+])c2ccccc2)COC1 CC1(COC1)C[*:1] [NH3+][C@H](CC(=O)N[*:1])c1ccccc1
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C(Cn1nc(c2CCCc21)C(F)(F)F)N1CCN(CC1)[*:1]
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] O=C(Cn1nc(c2CCCc21)C(F)(F)F)N1CCN(CC1)C[*:1]
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCN(Cc2cccs2)CC1 FC(F)(F)[*:1] O=C(Cn1nc(c2CCCc21)[*:1])N1CCN(CC1)Cc1cccs1
Cn1ncc(NCCc2ccc(S(N)(=O)=O)cc2)c(Cl)c1=O NS(=O)(=O)[*:1] Cn1ncc(NCCc2ccc(cc2)[*:1])c(Cl)c1=O
O=C(NC1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NC1CCCCC1)c1cc(Cl)ccc1[*:1]
O=C(NC1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] C1CCC(CC1)[*:1] O=C(N[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
O=C([O-])CNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 O=C([O-])[*:1] O=c1cnc2cc(ccc2[nH]1)S(=O)(=O)NC[*:1]
O=C([O-])CNS(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 O=C([O-])C[*:1] O=c1cnc2cc(ccc2[nH]1)S(=O)(=O)N[*:1]
CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1OC CCC[*:1] COc1ccc(C)cc1N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
C[C@H]1C[C@H](C)CN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1 Brc1cccc(c1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CCNS(=O)(=O)[*:1]
COc1cc(OC)cc(-c2ccc(C(=O)[O-])o2)c1 O=C([O-])[*:1] COc1cc(cc(c1)-c1ccc(o1)[*:1])OC
CC(C)c1nn2ccccc2c1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] CC(C)c1nn2ccccc2c1C(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)c1nn2ccccc2c1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)c1nn2ccccc2c1C(=O)N1CCC(CC1)C(=O)NC[*:1]
CC(C)c1nn2ccccc2c1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 CC(C)[*:1] O=C(NCc1ccc(F)cc1)C1CCN(CC1)C(=O)c1c(nn2ccccc12)[*:1]
CCCn1c(C)nnc1S[C@H](C(=O)Nc1cc(C)ccc1C)C(C)C CCC[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](Sc1nnc(C)n1[*:1])C(C)C
CCCn1c(C)nnc1S[C@H](C(=O)Nc1cc(C)ccc1C)C(C)C CC(C)[*:1] CCCn1c(C)nnc1S[C@H](C(=O)Nc1cc(C)ccc1C)[*:1]
CCCn1c(C)nnc1S[C@H](C(=O)Nc1cc(C)ccc1C)C(C)C Cc1ccc(C)c(c1)[*:1] CCCn1c(C)nnc1S[C@H](C(=O)N[*:1])C(C)C
CCn1ccnc1S(=O)(=O)[C@H](C)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CCn1ccnc1S(=O)(=O)[C@H](C)C(=O)N[*:1]
CCn1ccnc1S(=O)(=O)[C@H](C)C(=O)NCc1ccccc1 CCn1ccnc1[*:1] C[C@H](C(=O)NCc1ccccc1)S(=O)(=O)[*:1]
CCn1ccnc1S(=O)(=O)[C@H](C)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CCn1ccnc1S(=O)(=O)[C@H](C)C(=O)NC[*:1]
NC(=O)CCCNC(=O)c1ccc(Br)cc1F NC(=O)C[*:1] O=C(NCC[*:1])c1ccc(Br)cc1F
NC(=O)CCCNC(=O)c1ccc(Br)cc1F NC(=O)[*:1] O=C(NCCC[*:1])c1ccc(Br)cc1F
NC(=O)CCCNC(=O)c1ccc(Br)cc1F NC(=O)CC[*:1] O=C(NC[*:1])c1ccc(Br)cc1F
O=C(CN1CCCOC1=O)NCc1ccco1 c1coc(c1)[*:1] O=C(CN1CCCOC1=O)NC[*:1]
CCCCOc1cccc(C(=O)NNC(=O)c2cccs2)c1 c1csc(c1)[*:1] CCCCOc1cccc(c1)C(=O)NNC(=O)[*:1]
CCCCOc1cccc(C(=O)NNC(=O)c2cccs2)c1 CCCCO[*:1] O=C(NNC(=O)c1cccs1)c1cccc(c1)[*:1]
CCCCOc1cccc(C(=O)NNC(=O)c2cccs2)c1 CCCC[*:1] O=C(NNC(=O)c1cccs1)c1cccc(c1)O[*:1]
CCCCOc1cccc(C(=O)NNC(=O)c2cccs2)c1 CCC[*:1] O=C(NNC(=O)c1cccs1)c1cccc(c1)OC[*:1]
O=C(Cc1ccncc1)NNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 c1cc(ccn1)C[*:1] O=C(CN1CC[NH+](CC1)Cc1ccccc1)NNC(=O)[*:1]
O=C(Cc1ccncc1)NNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 c1cc(ccn1)[*:1] O=C(CN1CC[NH+](CC1)Cc1ccccc1)NNC(=O)C[*:1]
O=C(Cc1ccncc1)NNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Cc1ccncc1)NNC(=O)CN1CC[NH+](CC1)[*:1]
O=C(Cc1ccncc1)NNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cc1ccncc1)NNC(=O)CN1CC[NH+](CC1)C[*:1]
O=C(NCc1nnc2ccccn12)Nc1cccc(Cn2cncn2)c1 c1ncn(C[*:1])n1 O=C(NCc1nnc2ccccn12)Nc1cccc(c1)[*:1]
O=C(NCc1nnc2ccccn12)Nc1cccc(Cn2cncn2)c1 c1ncn(n1)[*:1] O=C(NCc1nnc2ccccn12)Nc1cccc(c1)C[*:1]
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1csc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1csc(n1)[*:1]
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1csc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1csc(C[*:1])n1
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] CC(C)C[*:1] O=C(N[C@H]1CCCC[C@@H]1OC[*:1])c1cc(F)ccc1[N+](=O)[O-]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] CC(C)CCO[*:1] O=C(N[C@H]1CCCC[C@@H]1[*:1])c1cc(F)ccc1[N+](=O)[O-]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[*:1]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] CC(C)CC[*:1] O=C(N[C@H]1CCCC[C@@H]1O[*:1])c1cc(F)ccc1[N+](=O)[O-]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] CC(C)[*:1] O=C(N[C@H]1CCCC[C@@H]1OCC[*:1])c1cc(F)ccc1[N+](=O)[O-]
C[C@@H]1CN(Cc2cccc(SC(=O)N(C)C)c2)[C@H](c2ccccc2)CO1 CN(C)C(=O)S[*:1] C[C@@H]1CN(Cc2cccc(c2)[*:1])[C@@H](CO1)c1ccccc1
C[C@@H]1CN(Cc2cccc(SC(=O)N(C)C)c2)[C@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(Cc2cccc(c2)SC(=O)N(C)C)[C@H](CO1)[*:1]
CC(=O)N1CCc2nnc(C3CC[NH+](Cc4ccc(F)cc4)CC3)n2CC1 Fc1ccc(cc1)C[*:1] CC(=O)N1CCc2nnc(C3CC[NH+](CC3)[*:1])n2CC1
CC(=O)N1CCc2nnc(C3CC[NH+](Cc4ccc(F)cc4)CC3)n2CC1 Fc1ccc(cc1)[*:1] CC(=O)N1CCc2nnc(C3CC[NH+](CC3)C[*:1])n2CC1
Cc1cccc(OCCn2c([C@@H](C)NC(=O)[C@H]3CCCO3)nc3ccccc32)c1C Cc1cccc(OC[*:1])c1C C[C@@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1C[*:1]
Cc1cccc(OCCn2c([C@@H](C)NC(=O)[C@H]3CCCO3)nc3ccccc32)c1C Cc1cccc(c1C)[*:1] C[C@@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1CCO[*:1]
Cc1cccc(OCCn2c([C@@H](C)NC(=O)[C@H]3CCCO3)nc3ccccc32)c1C Cc1cccc(O[*:1])c1C C[C@@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1CC[*:1]
Cc1ccc(C)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)NC(=O)c1cc(nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(C)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 Cc1ccc(C)c(c1)[*:1] Cc1nn(c2nc(cc(C(=O)N[*:1])c12)C1CC1)[C@H]1CCS(=O)(=O)C1
CSc1ccc(NC(=O)N2CCC[C@H]2C2CCCCC2)cc1 C1CCC(CC1)[*:1] CSc1ccc(cc1)NC(=O)N1CCC[C@@H]1[*:1]
COc1ccc(NC(=O)NCCc2ccccc2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])NC(=O)NCCc1ccccc1
COc1ccc(NC(=O)NCCc2ccccc2)cc1OC(F)F c1ccc(cc1)CC[*:1] COc1ccc(cc1OC(F)F)NC(=O)N[*:1]
COc1ccc(NC(=O)NCCc2ccccc2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])NC(=O)NCCc1ccccc1
COc1ccc(NC(=O)NCCc2ccccc2)cc1OC(F)F c1ccc(cc1)[*:1] COc1ccc(cc1OC(F)F)NC(=O)NCC[*:1]
COc1ccc(NC(=O)NCCc2ccccc2)cc1OC(F)F c1ccc(cc1)C[*:1] COc1ccc(cc1OC(F)F)NC(=O)NC[*:1]
COc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc(OC)c1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC[*:1])C(=O)N1CCC[C@H]2CCCC[C@H]21
COc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc(OC)c1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(cc(OC)c1O[*:1])C(=O)N1CCC[C@H]2CCCC[C@H]21
COc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc(OC)c1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(cc(OC)c1[*:1])C(=O)N1CCC[C@H]2CCCC[C@H]21
CCCCC[C@H](C)CC(=O)N1CCC[C@@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] CCCCC[C@H](C)CC(=O)N1CCC[C@H]1[*:1]
CCCCC[C@H](C)CC(=O)N1CCC[C@@H]1c1ccc[nH]1 CCC[*:1] C[C@@H](CC[*:1])CC(=O)N1CCC[C@@H]1c1ccc[nH]1
CCCCC[C@H](C)CC(=O)N1CCC[C@@H]1c1ccc[nH]1 CCCC[*:1] C[C@H](CC(=O)N1CCC[C@@H]1c1ccc[nH]1)C[*:1]
CCCCC[C@H](C)CC(=O)N1CCC[C@@H]1c1ccc[nH]1 CCCCC[*:1] C[C@H](CC(=O)N1CCC[C@@H]1c1ccc[nH]1)[*:1]
C#CC[C@@H](C)OC(=O)CCc1nc(C(C)C)no1 CC(C)[*:1] C#CC[C@@H](C)OC(=O)CCc1nc(no1)[*:1]
C#CC[C@@H](C)OC(=O)CCc1nc(C(C)C)no1 C#CC[*:1] CC(C)c1noc(CCC(=O)O[C@H](C)[*:1])n1
CC(=O)NCC1CCN(C(=O)Cc2cccs2)CC1 CC(=O)N[*:1] O=C(Cc1cccs1)N1CCC(CC1)C[*:1]
CC(=O)NCC1CCN(C(=O)Cc2cccs2)CC1 CC(=O)NC[*:1] O=C(Cc1cccs1)N1CCC(CC1)[*:1]
CC(=O)NCC1CCN(C(=O)Cc2cccs2)CC1 c1csc(c1)C[*:1] CC(=O)NCC1CCN(CC1)C(=O)[*:1]
CC(=O)NCC1CCN(C(=O)Cc2cccs2)CC1 c1csc(c1)[*:1] CC(=O)NCC1CCN(CC1)C(=O)C[*:1]
CC(=O)Nc1ccc(/C=C/C(=O)Nc2c(C)n[nH]c2C)cc1 Cc1n[nH]c(C)c1[*:1] CC(=O)Nc1ccc(/C=C/C(=O)N[*:1])cc1
CC(=O)Nc1ccc(/C=C/C(=O)Nc2c(C)n[nH]c2C)cc1 CC(=O)N[*:1] Cc1n[nH]c(C)c1NC(=O)/C=C/c1ccc(cc1)[*:1]
Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]([C@H]1C)[*:1]
CC[C@H](C)NC(=O)CCNC(=O)N1CCN(c2cccc(OC)c2)CC1 COc1cccc(c1)[*:1] CC[C@H](C)NC(=O)CCNC(=O)N1CCN(CC1)[*:1]
CC[C@H](C)NC(=O)CCNC(=O)N1CCN(c2cccc(OC)c2)CC1 CC[C@H](C)NC(=O)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)NCC[*:1]
CC[C@H](C)NC(=O)CCNC(=O)N1CCN(c2cccc(OC)c2)CC1 CC[C@H](C)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)NCCC(=O)N[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc(c3)[N+](=O)[O-])N2C(=O)CN1C[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccc(F)cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](N2C(=O)CN1CCc1ccc(F)cc1)[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccc(F)cc1 O=[N+]([O-])[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc(c3)[*:1])N2C(=O)CN1CCc1ccc(F)cc1
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc(c3)[N+](=O)[O-])N2C(=O)CN1CC[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccc(F)cc1 Fc1ccc(cc1)CC[*:1] O=C1CN(C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3cccc(c3)[N+](=O)[O-])N12)[*:1]
C[C@@H](C/C([O-])=N/S(=O)(=O)c1ccc(F)cc1)NC(=O)c1ccccc1 Fc1ccc(cc1)[*:1] C[C@@H](C/C([O-])=N/S(=O)(=O)[*:1])NC(=O)c1ccccc1
C[C@@H](C/C([O-])=N/S(=O)(=O)c1ccc(F)cc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C/C([O-])=N/S(=O)(=O)c1ccc(F)cc1)NC(=O)[*:1]
CCc1ccsc1CNC(=O)NNC(=O)COc1ccc(F)cc1 CCc1ccsc1[*:1] O=C(COc1ccc(F)cc1)NNC(=O)NC[*:1]
CCc1ccsc1CNC(=O)NNC(=O)COc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1ccsc1CNC(=O)NNC(=O)CO[*:1]
CCc1ccsc1CNC(=O)NNC(=O)COc1ccc(F)cc1 CCc1ccsc1C[*:1] O=C(COc1ccc(F)cc1)NNC(=O)N[*:1]
CCc1ccsc1CNC(=O)NNC(=O)COc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] CCc1ccsc1CNC(=O)NNC(=O)C[*:1]
COC(=O)c1c(NC(=O)C(C)C)sc(C(N)=O)c1C CC(C)C(=O)N[*:1] COC(=O)c1c(sc(C(N)=O)c1C)[*:1]
COC(=O)c1c(NC(=O)C(C)C)sc(C(N)=O)c1C COC(=O)[*:1] Cc1c(sc(NC(=O)C(C)C)c1[*:1])C(N)=O
COC(=O)c1c(NC(=O)C(C)C)sc(C(N)=O)c1C NC(=O)[*:1] COC(=O)c1c(NC(=O)C(C)C)sc(c1C)[*:1]
COC(=O)c1c(NC(=O)C(C)C)sc(C(N)=O)c1C CC(C)[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(N)=O)c1C
COc1ccc(CN2C(=O)Cn3cccc3[C@H]2C(=O)N[C@@H]2CCCC[C@H]2C)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1c2cccn2CC(=O)N1C[*:1]
COc1ccc(CN2C(=O)Cn3cccc3[C@H]2C(=O)N[C@@H]2CCCC[C@H]2C)cc1 COc1ccc(cc1)C[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1c2cccn2CC(=O)N1[*:1]
COC(=O)[C@H]1CN(S(=O)(=O)N2CCOCC2)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@@H]1[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(C(C)C)s3)CC2=O)cc1C CC(C)c1nnc(s1)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(C(C)C)s3)CC2=O)cc1C CC(C)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(C(C)C)s3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1 O=[N+]([O-])[*:1] Cc1cc(/C=N/NC(=O)c2ccc(cc2)[*:1])c(C)n1C1CCCCC1
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(/C=N/NC(=O)[*:1])c(C)n1C1CCCCC1
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(/C=N/NC(=O)c2ccc(cc2)[N+](=O)[O-])c(C)n1[*:1]
CCCN1C(=O)[C@H](C(=O)Nc2nc3ccccc3s2)[C@@H](O)c2ccccc21 c1ccc2sc(nc2c1)[*:1] CCCN1C(=O)[C@H](C(=O)N[*:1])[C@@H](O)c2ccccc21
CCCN1C(=O)[C@H](C(=O)Nc2nc3ccccc3s2)[C@@H](O)c2ccccc21 CCC[*:1] O=C(Nc1nc2ccccc2s1)[C@H]1C(=O)N(c2ccccc2[C@@H]1O)[*:1]
CC(C)(C)n1c(=O)c2ccc(Cl)cc2n1CC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)n1c(=O)c2ccc(Cl)cc2n1CC(=O)N[*:1]
CC(C)(C)n1c(=O)c2ccc(Cl)cc2n1CC(=O)Nc1ccc(F)cc1 CC(C)(C)[*:1] O=C(Cn1c2cc(Cl)ccc2c(=O)n1[*:1])Nc1ccc(F)cc1
CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cnn(C(C)C)c1C CCN(C)C(=O)[*:1] Cc1c(cnn1C(C)C)C(=O)N1CSC[C@@H]1[*:1]
CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cnn(C(C)C)c1C CC(C)[*:1] CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cnn(c1C)[*:1]
FC(F)COc1cc(C[NH2+]Cc2ccc3ccccc3c2)ccn1 FC(F)[*:1] c1ccc2cc(ccc2c1)C[NH2+]Cc1ccnc(c1)OC[*:1]
FC(F)COc1cc(C[NH2+]Cc2ccc3ccccc3c2)ccn1 FC(F)CO[*:1] c1ccc2cc(ccc2c1)C[NH2+]Cc1ccnc(c1)[*:1]
FC(F)COc1cc(C[NH2+]Cc2ccc3ccccc3c2)ccn1 FC(F)C[*:1] c1ccc2cc(ccc2c1)C[NH2+]Cc1ccnc(c1)O[*:1]
CC/[NH+]=C(/NCC(=O)NCc1ccco1)N1C[C@@H](C)C[C@H](C)C1 c1coc(c1)[*:1] CC/[NH+]=C(/NCC(=O)NC[*:1])N1C[C@@H](C)C[C@H](C)C1
CC/[NH+]=C(/NCC(=O)NCc1ccco1)N1C[C@@H](C)C[C@H](C)C1 c1coc(c1)C[*:1] CC/[NH+]=C(/NCC(=O)N[*:1])N1C[C@@H](C)C[C@H](C)C1
C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F Oc1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F Oc1ccc(cc1)C[*:1] C[C@H](NC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[*:1]
C=CCNC(=O)CN(C)c1nn2c(=O)cc(CCC)nc2s1 C=CCNC(=O)C[*:1] CCCc1cc(=O)n2nc(sc2n1)N(C)[*:1]
C=CCNC(=O)CN(C)c1nn2c(=O)cc(CCC)nc2s1 C=CC[*:1] CCCc1cc(=O)n2nc(sc2n1)N(C)CC(=O)N[*:1]
C=CCNC(=O)CN(C)c1nn2c(=O)cc(CCC)nc2s1 C=CCNC(=O)[*:1] CCCc1cc(=O)n2nc(sc2n1)N(C)C[*:1]
C=CCNC(=O)CN(C)c1nn2c(=O)cc(CCC)nc2s1 CCC[*:1] C=CCNC(=O)CN(C)c1nn2c(=O)cc(nc2s1)[*:1]
O=C([O-])C[C@]1(C(=O)NC2CCCCC2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C([O-])C[C@@]1(CC(=NO1)[*:1])C(=O)NC1CCCCC1
O=C([O-])C[C@]1(C(=O)NC2CCCCC2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 O=C([O-])[*:1] O=C(NC1CCCCC1)[C@]1(CC(=NO1)c1ccc(cc1)[N+](=O)[O-])C[*:1]
O=C([O-])C[C@]1(C(=O)NC2CCCCC2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 O=C(NC1CCCCC1)[*:1] O=C([O-])C[C@@]1(CC(=NO1)c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C([O-])C[C@]1(C(=O)NC2CCCCC2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 C1CCC(CC1)[*:1] O=C([O-])C[C@@]1(CC(=NO1)c1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
O=C([O-])C[C@]1(C(=O)NC2CCCCC2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 O=[N+]([O-])[*:1] O=C([O-])C[C@@]1(CC(=NO1)c1ccc(cc1)[*:1])C(=O)NC1CCCCC1
Cc1ccc(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1C(=O)NC(C)C Fc1cccc(c1)C[*:1] Cc1ccc(cc1C(=O)NC(C)C)NC(=O)N1CCC[C@H]1[*:1]
Cc1ccc(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CCC[C@@H]1Cc1cccc(F)c1
Cc1ccc(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1C(=O)NC(C)C CC(C)[*:1] Cc1ccc(cc1C(=O)N[*:1])NC(=O)N1CCC[C@@H]1Cc1cccc(F)c1
Cc1ccc(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1C(=O)NC(C)C Fc1cccc(c1)[*:1] Cc1ccc(cc1C(=O)NC(C)C)NC(=O)N1CCC[C@@H]1C[*:1]
CCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(C)c3C)n2)ccc1C Cc1cccc(c1C)[*:1] CCC(=O)Nc1cc(ccc1C)-c1ccc(=O)n(n1)[C@H](C)C(=O)N[*:1]
CCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(C)c3C)n2)ccc1C CCC(=O)N[*:1] Cc1ccc(cc1[*:1])-c1ccc(=O)n(n1)[C@H](C)C(=O)Nc1cccc(C)c1C
Cn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)C[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])S(=O)(=O)C[C@@H]1CCCO1
CCN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)N[C@H](C)[*:1]
CCN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c(c1)[*:1]
CCc1nn(C)cc1NC(=O)c1ccccc1OC(C)C CC(C)O[*:1] CCc1nn(C)cc1NC(=O)c1ccccc1[*:1]
CCc1nn(C)cc1NC(=O)c1ccccc1OC(C)C CC(C)[*:1] CCc1nn(C)cc1NC(=O)c1ccccc1O[*:1]
Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C Cc1ccccc1[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@@H]1C[C@H]1[*:1]
O=C(COc1ccccc1Br)N/N=C/c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(COc1ccccc1Br)N/N=C/c1ccc(o1)[*:1]
O=C(COc1ccccc1Br)N/N=C/c1ccc([N+](=O)[O-])o1 Brc1ccccc1[*:1] O=C(CO[*:1])N/N=C/c1ccc(o1)[N+](=O)[O-]
C[C@@H]1Cc2cc(CCC(=O)N3CCC[C@@H](COc4ccccc4F)C3)ccc2O1 Fc1ccccc1O[*:1] C[C@@H]1Cc2cc(ccc2O1)CCC(=O)N1CCC[C@H](C1)C[*:1]
C[C@@H]1Cc2cc(CCC(=O)N3CCC[C@@H](COc4ccccc4F)C3)ccc2O1 Fc1ccccc1[*:1] C[C@@H]1Cc2cc(ccc2O1)CCC(=O)N1CCC[C@@H](CO[*:1])C1
C[C@@H]1Cc2cc(CCC(=O)N3CCC[C@@H](COc4ccccc4F)C3)ccc2O1 Fc1ccccc1OC[*:1] C[C@@H]1Cc2cc(ccc2O1)CCC(=O)N1CCC[C@@H](C1)[*:1]
CSc1ccc2nc(N(Cc3ccccc3)C(=O)CS(=O)(=O)c3ccccc3)sc2c1 c1ccc(cc1)[*:1] CSc1ccc2nc(sc2c1)N(Cc1ccccc1)C(=O)CS(=O)(=O)[*:1]
CSc1ccc2nc(N(Cc3ccccc3)C(=O)CS(=O)(=O)c3ccccc3)sc2c1 c1ccc(cc1)[*:1] CSc1ccc2nc(sc2c1)N(C[*:1])C(=O)CS(=O)(=O)c1ccccc1
CSc1ccc2nc(N(Cc3ccccc3)C(=O)CS(=O)(=O)c3ccccc3)sc2c1 O=S(=O)(c1ccccc1)[*:1] CSc1ccc2nc(sc2c1)N(Cc1ccccc1)C(=O)C[*:1]
CSc1ccc2nc(N(Cc3ccccc3)C(=O)CS(=O)(=O)c3ccccc3)sc2c1 O=S(=O)(C[*:1])c1ccccc1 CSc1ccc2nc(sc2c1)N(Cc1ccccc1)C(=O)[*:1]
CSc1ccc2nc(N(Cc3ccccc3)C(=O)CS(=O)(=O)c3ccccc3)sc2c1 c1ccc(cc1)C[*:1] CSc1ccc2nc(sc2c1)N(C(=O)CS(=O)(=O)c1ccccc1)[*:1]
Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)NCc3ccc(F)cc3)n12 Fc1ccc(cc1)[*:1] Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)NC[*:1])n12
Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)NCc3ccc(F)cc3)n12 Fc1ccc(cc1)C[*:1] Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)N[*:1])n12
Cc1ccc(-n2c(=O)c3ccccc3n3c(CCl)nnc23)cc1C Cc1ccc(cc1C)[*:1] O=c1c2ccccc2n2c(CCl)nnc2n1[*:1]
CCOc1cccc([C@](O)(CC)C(C)C)c1 CCO[*:1] CC[C@@](O)(c1cccc(c1)[*:1])C(C)C
CCOc1cccc([C@](O)(CC)C(C)C)c1 CC(C)[*:1] CCOc1cccc(c1)[C@](O)(CC)[*:1]
CCN(CC)S(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] CCN(CC)S(=O)(=O)N[C@@H](c1ccccc1)[*:1]
CCN(CC)S(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)N[C@@H](c1ccccn1)[*:1]
O=C(/C=C/c1ccc2ccccc2n1)NCCCn1cnc2ccccc21 c1ccc2c(c1)ncn2[*:1] O=C(/C=C/c1ccc2ccccc2n1)NCCC[*:1]
CO[C@H]1CCC[C@@H]1OC(=O)CCCNC(C)=O CC(=O)N[*:1] CO[C@H]1CCC[C@@H]1OC(=O)CCC[*:1]
CO[C@H]1CCC[C@@H]1OC(=O)CCCNC(C)=O CC(=O)NC[*:1] CO[C@H]1CCC[C@@H]1OC(=O)CC[*:1]
C[C@H]1Oc2ccccc2C=C1/C=c1/sc2nc([C@H]3COc4ccccc4O3)nn2c1=O c1ccc2O[C@H](COc2c1)[*:1] C[C@H]1Oc2ccccc2C=C1/C=c1/sc2nc(nn2c1=O)[*:1]
Cc1csc(N(C(=O)c2cnc(Cc3ccccc3)s2)C2CC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N(C(=O)c1cnc(C[*:1])s1)C1CC1
Cc1csc(N(C(=O)c2cnc(Cc3ccccc3)s2)C2CC2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)N(C(=O)c1cnc(s1)[*:1])C1CC1
Cc1csc(N(C(=O)c2cnc(Cc3ccccc3)s2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)N(C(=O)c1cnc(Cc2ccccc2)s1)[*:1]
Cc1csc(N(C(=O)c2cnc(Cc3ccccc3)s2)C2CC2)n1 Cc1csc(n1)[*:1] O=C(c1cnc(Cc2ccccc2)s1)N(C1CC1)[*:1]
CC(C)(F)C(=O)Nc1ccccc1OCC1CC1 C1CC1CO[*:1] CC(C)(F)C(=O)Nc1ccccc1[*:1]
CC(C)(F)C(=O)Nc1ccccc1OCC1CC1 C1CC1[*:1] CC(C)(F)C(=O)Nc1ccccc1OC[*:1]
CC(C)(F)C(=O)Nc1ccccc1OCC1CC1 CC(C)(F)[*:1] O=C(Nc1ccccc1OCC1CC1)[*:1]
CC(C)(F)C(=O)Nc1ccccc1OCC1CC1 C1CC1C[*:1] CC(C)(F)C(=O)Nc1ccccc1O[*:1]
CC(C)(C)c1cc(=O)[nH]c2cc(NC(=O)c3ccc4nsnc4c3)ccc12 c1cc2nsnc2cc1[*:1] CC(C)(C)c1cc(=O)[nH]c2cc(ccc12)NC(=O)[*:1]
CC(C)(C)c1cc(=O)[nH]c2cc(NC(=O)c3ccc4nsnc4c3)ccc12 CC(C)(C)[*:1] O=C(Nc1ccc2c(cc(=O)[nH]c2c1)[*:1])c1ccc2nsnc2c1
COC(=O)c1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1F COC(=O)[*:1] Fc1cc(ccc1[*:1])C[NH+]1CCC(CC1)c1c[nH]c2ncccc12
COC(=O)c1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1F c1cnc2[nH]cc(c2c1)[*:1] COC(=O)c1ccc(cc1F)C[NH+]1CCC(CC1)[*:1]
Cc1ccc(C)c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)/N=C/c1ccc(Cl)c(c1)[*:1]
CN1C=C(C(=O)Nc2ccc(F)c(F)c2)C2=NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21 c1ccc(cc1)[*:1] CN1C=C(C(=O)Nc2ccc(F)c(F)c2)C2=NC(=O)N(C[*:1])C(=O)[C@@H]21
CN1C=C(C(=O)Nc2ccc(F)c(F)c2)C2=NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21 Fc1ccc(cc1F)[*:1] CN1C=C(C(=O)N[*:1])C2=NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21
CN1C=C(C(=O)Nc2ccc(F)c(F)c2)C2=NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21 c1ccc(cc1)C[*:1] CN1C=C(C(=O)Nc2ccc(F)c(F)c2)C2=NC(=O)N(C(=O)[C@@H]21)[*:1]
O=C(CCc1nnc(-c2ccsc2)o1)N(CC1CCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1nnc(o1)-c1ccsc1)N(CC1CCC1)[*:1]
O=C(CCc1nnc(-c2ccsc2)o1)N(CC1CCC1)c1ccccc1 C1CC(C1)[*:1] O=C(CCc1nnc(o1)-c1ccsc1)N(C[*:1])c1ccccc1
O=C(CCc1nnc(-c2ccsc2)o1)N(CC1CCC1)c1ccccc1 C1CC(C1)C[*:1] O=C(CCc1nnc(o1)-c1ccsc1)N(c1ccccc1)[*:1]
O=C(CCc1nnc(-c2ccsc2)o1)N(CC1CCC1)c1ccccc1 c1cc(cs1)[*:1] O=C(CCc1nnc(o1)[*:1])N(CC1CCC1)c1ccccc1
CC(C)CNC(=O)CN1CCc2ccc(Cl)cc2C1 CC(C)C[*:1] O=C(CN1CCc2ccc(Cl)cc2C1)N[*:1]
CC(C)CNC(=O)CN1CCc2ccc(Cl)cc2C1 CC(C)[*:1] O=C(CN1CCc2ccc(Cl)cc2C1)NC[*:1]
COc1cccc([C@@H]2CC[NH2+]C[C@@H]2CC(C)C)c1 CC(C)C[*:1] COc1cccc(c1)[C@@H]1CC[NH2+]C[C@H]1[*:1]
COc1cccc([C@@H]2CC[NH2+]C[C@@H]2CC(C)C)c1 CC(C)[*:1] COc1cccc(c1)[C@@H]1CC[NH2+]C[C@@H]1C[*:1]
C[C@H](Nc1ccc(Cl)cn1)c1cc(F)ccc1N1CCC(O)CC1 Clc1ccc(nc1)[*:1] C[C@H](N[*:1])c1cc(F)ccc1N1CCC(O)CC1
C[C@H](Nc1ccc(Cl)cn1)c1cc(F)ccc1N1CCC(O)CC1 OC1CCN(CC1)[*:1] C[C@H](Nc1ccc(Cl)cn1)c1cc(F)ccc1[*:1]
C[C@H](Nc1ccc(Cl)cn1)c1cc(F)ccc1N1CCC(O)CC1 Clc1ccc(nc1)N[*:1] C[C@H](c1cc(F)ccc1N1CCC(O)CC1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C2CC2)C1 C1CC1[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)N[C@@H](Cc1ccccc1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C2CC2)C1 c1ccc(cc1)C[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)N[C@@H](C1CC1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C2CC2)C1 c1ccc(cc1)[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)N[C@@H](C[*:1])C1CC1
CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C2CC2)C1 CCNS(=O)(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)C1CC1)N1CC[C@@H](C1)[*:1]
CCC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccccc1 CCC[*:1] C[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)[*:1]
CCC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C)NC(=O)c1ccccc1C(=O)[*:1]
CCC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccccc1 CCC[C@@H](C)[*:1] O=C(N[*:1])c1ccccc1C(=O)c1ccccc1
CC(C)(C)OC(=O)NNC(=O)c1ccccc1SCc1cccs1 CC(C)(C)[*:1] O=C(NNC(=O)c1ccccc1SCc1cccs1)O[*:1]
CC(C)(C)OC(=O)NNC(=O)c1ccccc1SCc1cccs1 c1csc(c1)C[*:1] CC(C)(C)OC(=O)NNC(=O)c1ccccc1S[*:1]
CC(C)(C)OC(=O)NNC(=O)c1ccccc1SCc1cccs1 c1csc(c1)CS[*:1] CC(C)(C)OC(=O)NNC(=O)c1ccccc1[*:1]
CC(C)(C)OC(=O)NNC(=O)c1ccccc1SCc1cccs1 c1csc(c1)[*:1] CC(C)(C)OC(=O)NNC(=O)c1ccccc1SC[*:1]
N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc[nH]3)cc2Cl)c1 c1c[nH]c(c1)[*:1] N#Cc1cccc(c1)COc1ccc(cc1Cl)NC(=O)C[*:1]
N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc[nH]3)cc2Cl)c1 c1c[nH]c(c1)C[*:1] N#Cc1cccc(c1)COc1ccc(cc1Cl)NC(=O)[*:1]
N#Cc1cccc(COc2ccc(NC(=O)Cc3ccc[nH]3)cc2Cl)c1 N#Cc1cccc(c1)[*:1] O=C(Cc1ccc[nH]1)Nc1ccc(OC[*:1])c(Cl)c1
Cc1ccc(F)c(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)NC[*:1]
CN(C)C(=O)c1ccc(NC(=O)COc2ccccc2CO)cc1 OCc1ccccc1[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)CO[*:1]
CN(C)C(=O)c1ccc(NC(=O)COc2ccccc2CO)cc1 CN(C)C(=O)[*:1] O=C(COc1ccccc1CO)Nc1ccc(cc1)[*:1]
Cc1ccc2nc(N3CCC(C(=O)NCC(C)(C)CO)CC3)nc(C)c2c1 CC(C)(CO)C[*:1] Cc1ccc2nc(nc(C)c2c1)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc2nc(N3CCC(C(=O)NCC(C)(C)CO)CC3)nc(C)c2c1 CC(C)(CO)[*:1] Cc1ccc2nc(nc(C)c2c1)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccc2nc(N3CCC(C(=O)NCC(C)(C)CO)CC3)nc(C)c2c1 CC(C)(CO)CNC(=O)[*:1] Cc1ccc2nc(nc(C)c2c1)N1CCC(CC1)[*:1]
O=C(CCC(=O)c1cccs1)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] O=C(CCC(=O)c1cccs1)N[C@H]1CCCN(C1=O)[*:1]
O=C(CCC(=O)c1cccs1)N[C@H]1CCCN(Cc2ccccc2)C1=O O=C(c1cccs1)[*:1] O=C(CC[*:1])N[C@H]1CCCN(Cc2ccccc2)C1=O
O=C(CCC(=O)c1cccs1)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(CCC(=O)c1cccs1)N[C@H]1CCCN(C[*:1])C1=O
O=C(CCC(=O)c1cccs1)N[C@H]1CCCN(Cc2ccccc2)C1=O O=C(C[*:1])c1cccs1 O=C(C[*:1])N[C@H]1CCCN(Cc2ccccc2)C1=O
O=C(CCC(=O)c1cccs1)N[C@H]1CCCN(Cc2ccccc2)C1=O c1csc(c1)[*:1] O=C(CCC(=O)[*:1])N[C@H]1CCCN(Cc2ccccc2)C1=O
CC[C@@](C)(NC(=O)NCC[S@@](=O)C(C)(C)C)c1ccccc1 CC(C)(C)[*:1] CC[C@@](C)(NC(=O)NCC[S@@](=O)[*:1])c1ccccc1
CC[C@@](C)(NC(=O)NCC[S@@](=O)C(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@](C)(NC(=O)NCC[S@@](=O)C(C)(C)C)[*:1]
C=CC[NH+](CC=C)CC(=O)Nc1ccc2c(c1)OCCO2 C=CC[*:1] C=CC[NH+](CC(=O)Nc1ccc2OCCOc2c1)[*:1]
Cc1ccc([C@@H](O)CN2CCN(C3=[NH+]CC(C)(C)S3)CC2)cc1 Cc1ccc(cc1)[*:1] CC1(C)C[NH+]=C(S1)N1CCN(CC1)C[C@H](O)[*:1]
Cc1nc(C[C@@](C)(O)C[NH2+]C(C)(C)C)sc1C CC(C)(C)[*:1] Cc1nc(C[C@@](C)(O)C[NH2+][*:1])sc1C
COc1ccc(F)cc1NC(=O)C(=O)NCc1cccc([N+]2=CCCC2)c1 COc1ccc(F)cc1[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)C(=O)N[*:1]
CCOc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1 CCO[*:1] O=C(NCc1cccc(c1)[*:1])c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1
CCOc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1 CCOc1cccc(c1)[*:1] O=C(NC[*:1])c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1
CCOc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1 Clc1ccc(cc1)C[*:1] CCOc1cccc(c1)CNC(=O)c1ccc2cnn(c2c1)[*:1]
CCOc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1 Clc1ccc(cc1)[*:1] CCOc1cccc(c1)CNC(=O)c1ccc2cnn(C[*:1])c2c1
CCOc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1 CCOc1cccc(c1)C[*:1] O=C(N[*:1])c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1
Cc1ccc2cc(CN(Cc3ccccc3)C(=O)c3ccco3)c(=O)[nH]c2c1 c1coc(c1)[*:1] Cc1ccc2cc(CN(Cc3ccccc3)C(=O)[*:1])c(=O)[nH]c2c1
Cc1ccc2cc(CN(Cc3ccccc3)C(=O)c3ccco3)c(=O)[nH]c2c1 c1ccc(cc1)C[*:1] Cc1ccc2cc(CN(C(=O)c3ccco3)[*:1])c(=O)[nH]c2c1
Cc1ccc2cc(CN(Cc3ccccc3)C(=O)c3ccco3)c(=O)[nH]c2c1 c1ccc(cc1)[*:1] Cc1ccc2cc(CN(C[*:1])C(=O)c3ccco3)c(=O)[nH]c2c1
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)n1 Cc1cc(F)ccc1[*:1] C[NH+](C)[C@@H](CNC(=O)c1nn(cc1[O-])[*:1])C1CC1
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)n1 C1CC1[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CC(C)(Cc1ccccc1)C(=O)NNc1cc(C#N)cc(Cl)n1 c1ccc(cc1)[*:1] CC(C)(C[*:1])C(=O)NNc1cc(C#N)cc(Cl)n1
CC(C)(Cc1ccccc1)C(=O)NNc1cc(C#N)cc(Cl)n1 c1ccc(cc1)C[*:1] CC(C)(C(=O)NNc1cc(C#N)cc(Cl)n1)[*:1]
C[C@@H](CC(=O)[C@H](C#N)c1ccc(F)cn1)Cc1ccc(Cl)cc1 Fc1ccc(nc1)[*:1] C[C@@H](CC(=O)[C@H](C#N)[*:1])Cc1ccc(Cl)cc1
C[C@@H](CC(=O)[C@H](C#N)c1ccc(F)cn1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)[C@H](C#N)c1ccc(F)cn1)C[*:1]
CC[NH2+]C[C@H]1CCCO[C@H]1c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CC[NH2+]C[C@H]1CCCO[C@H]1c1cnn(c1)[*:1]
CC/C(=C/C(C)C)C[NH2+]CC(C)C CC(C)C[*:1] CC/C(=C/C(C)C)C[NH2+][*:1]
CC/C(=C/C(C)C)C[NH2+]CC(C)C CC(C)[*:1] CC/C(=C/C(C)C)C[NH2+]C[*:1]
CC/C(=C/C(C)C)C[NH2+]CC(C)C CC(C)[*:1] CCC(=C[*:1])C[NH2+]CC(C)C
COc1cccc(C[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)c1OC Cc1nccn1[*:1] COc1cccc(C[NH2+]Cc2ccc(c(F)c2)[*:1])c1OC
COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(F)cc4)cc32)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccc2CCN(C(=O)[*:1])c2c1)Nc1ccc(F)cc1
COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(F)cc4)cc32)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N1CCc2ccc(cc21)CNC(=O)N[*:1]
C=CCNc1ncc(C(=O)Nc2cc(-c3ncco3)ccc2C)s1 C=CCN[*:1] Cc1ccc(cc1NC(=O)c1cnc(s1)[*:1])-c1ncco1
C=CCNc1ncc(C(=O)Nc2cc(-c3ncco3)ccc2C)s1 C=CC[*:1] Cc1ccc(cc1NC(=O)c1cnc(N[*:1])s1)-c1ncco1
C=CCNc1ncc(C(=O)Nc2cc(-c3ncco3)ccc2C)s1 c1coc(n1)[*:1] C=CCNc1ncc(s1)C(=O)Nc1cc(ccc1C)[*:1]
CCOc1ccc(CC)cc1[C@@H]([NH3+])CC(=O)[O-] CCO[*:1] CCc1ccc(c(c1)[C@@H]([NH3+])CC(=O)[O-])[*:1]
CCOc1ccc(CC)cc1[C@@H]([NH3+])CC(=O)[O-] O=C([O-])[*:1] CCOc1ccc(cc1[C@@H]([NH3+])C[*:1])CC
COc1ccc(C=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1)C(=C[*:1])C(=O)Nc1ccccc1
COc1ccc(C=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(C=C(C(=O)Nc2ccccc2)C(=O)N[*:1])cc1
COc1ccc(C=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 O=C(Nc1ccccc1)[*:1] COc1ccc(C=C(C(=O)Nc2ccccc2)[*:1])cc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C(=O)N1CCN(CC1)c1ccccc1F)c1ccc(Cl)cc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 O=C([C@@H](Cc1ccccc1)[*:1])N1CCN(CC1)c1ccccc1F
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C([C@@H](Cc1ccccc1)NC(=O)[*:1])N1CCN(CC1)c1ccccc1F
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C(N[C@H](C(=O)N1CCN(CC1)c1ccccc1F)[*:1])c1ccc(Cl)cc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 Fc1ccccc1[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)[*:1])c1ccc(Cl)cc1
NC(=O)C1CC[NH+](Cn2nc3n(c2=S)CCCCC3)CC1 NC(=O)[*:1] S=c1n(C[NH+]2CCC(CC2)[*:1])nc2CCCCCn21
CC[C@@](C)([NH3+])C(=O)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@@](C)([NH3+])C(=O)Nc1ccccc1[*:1]
CC[C@@](C)([NH3+])C(=O)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@@](C)([NH3+])C(=O)Nc1ccccc1C[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)NC(=O)C=C[*:1]
O=C(c1cccnc1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CC1 c1cc(cs1)[*:1] O=C(c1cccnc1)N1CC[C@H]2[C@@H](C1)[C@H](CN2C(=O)C1CC1)[*:1]
O=C(c1cccnc1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CC1 C1CC1[*:1] O=C(c1cccnc1)N1CC[C@H]2[C@@H](C1)[C@@H](CN2C(=O)[*:1])c1ccsc1
O=C(c1cccnc1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CC1 c1cncc(c1)[*:1] O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(CC[C@@H]21)C(=O)[*:1]
O=C(NC[C@H](O)c1ccco1)Nc1ccc(C(=O)NC2CC2)cc1 c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])Nc1ccc(cc1)C(=O)NC1CC1
O=C(NC[C@H](O)c1ccco1)Nc1ccc(C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] O=C(NC[C@H](O)c1ccco1)Nc1ccc(cc1)[*:1]
O=C(NC[C@H](O)c1ccco1)Nc1ccc(C(=O)NC2CC2)cc1 C1CC1[*:1] O=C(NC[C@H](O)c1ccco1)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccc(/C(N)=N/OC(=O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)/C(N)=N/OC(=O)[*:1]
C[C@@H]([C@H]1[C@H]([C@@H](C)[S@@](C)(=O)=S)C(C)(C)N(O)C1(C)C)[S@@](C)(=O)=S C[S@@](=O)(=S)[*:1] C[C@@H]([C@H]1[C@H]([C@@H](C)[S@@](C)(=O)=S)C(C)(C)N(O)C1(C)C)[*:1]
C[C@@H]([C@H]1[C@H]([C@@H](C)[S@@](C)(=O)=S)C(C)(C)N(O)C1(C)C)[S@@](C)(=O)=S C[C@@H]([S@@](C)(=O)=S)[*:1] C[C@H]([C@H]1[C@@H](C(C)(C)N(O)C1(C)C)[*:1])[S@@](C)(=O)=S
Cn1nc(-c2ccccc2)cc1C(=O)NCC#CCN1CCc2ccccc2C1 c1ccc(cc1)[*:1] Cn1nc(cc1C(=O)NCC#CCN1CCc2ccccc2C1)[*:1]
[NH3+][C@@H]1C=C[C@@H](C(=O)NCCC(F)(F)F)C1 FC(F)(F)[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)NCC[*:1]
[NH3+][C@@H]1C=C[C@@H](C(=O)NCCC(F)(F)F)C1 FC(F)(F)C[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)NC[*:1]
CC1=C(C(N)=O)[C@H](c2cccs2)N2NC(c3ccccc3Cl)=NC2=N1 Clc1ccccc1[*:1] CC1N=C2N=C(NN2[C@H](C=1C(N)=O)c1cccs1)[*:1]
CC1=C(C(N)=O)[C@H](c2cccs2)N2NC(c3ccccc3Cl)=NC2=N1 c1csc(c1)[*:1] CC1N=C2N=C(NN2[C@@H](C=1C(N)=O)[*:1])c1ccccc1Cl
CC1=C(C(N)=O)[C@H](c2cccs2)N2NC(c3ccccc3Cl)=NC2=N1 NC(=O)[*:1] CC1N=C2N=C(NN2[C@H](C=1[*:1])c1cccs1)c1ccccc1Cl
Cc1ccc([C@H](C)[C@@H](O)C(=O)NC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@H](C)[C@@H](O)C(=O)N[*:1]
CC(=O)NCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 CC(=O)NCC[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)N[*:1]
CC(=O)NCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 C1CCN(C1)[*:1] CC(=O)NCCNC(=O)NCc1cc[nH+]c(c1)[*:1]
CC(=O)NCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 CC(=O)N[*:1] O=C(NCC[*:1])NCc1cc[nH+]c(c1)N1CCCC1
CC(=O)NCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 CC(=O)NC[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)NC[*:1]
C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N1CCC[C@@H]1[*:1]
COCCOCCNC(=O)[C@H]1CCO[C@H]1C COCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCCO[*:1]
COCCOCCNC(=O)[C@H]1CCO[C@H]1C COC[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCCOC[*:1]
COCCOCCNC(=O)[C@H]1CCO[C@H]1C COCCO[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCC[*:1]
CC(C)CC[NH+]1CCN(CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)CC1 CC(C)C[*:1] C[C@H](c1ccccc1)N1C(=O)C(=O)N(CN2CC[NH+](CC2)C[*:1])C1=O
CC(C)CC[NH+]1CCN(CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)CC1 CC(C)CC[*:1] C[C@H](c1ccccc1)N1C(=O)C(=O)N(CN2CC[NH+](CC2)[*:1])C1=O
CC(C)CC[NH+]1CCN(CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)CC1 C[C@H](c1ccccc1)[*:1] CC(C)CC[NH+]1CCN(CC1)CN1C(=O)C(=O)N(C1=O)[*:1]
CC(C)CC[NH+]1CCN(CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] CC(C)CC[NH+]1CCN(CC1)CN1C(=O)C(=O)N(C1=O)[C@H](C)[*:1]
CC(C)CC[NH+]1CCN(CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)CC1 CC(C)[*:1] C[C@H](c1ccccc1)N1C(=O)C(=O)N(CN2CC[NH+](CC2)CC[*:1])C1=O
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)s1 c1coc(c1)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])c(C)s1
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccco1
NC(=O)C1CCN([C@H](c2ccccc2F)c2nnnn2C2CCCCC2)CC1 NC(=O)[*:1] Fc1ccccc1[C@H](c1nnnn1C1CCCCC1)N1CCC(CC1)[*:1]
NC(=O)C1CCN([C@H](c2ccccc2F)c2nnnn2C2CCCCC2)CC1 NC(=O)C1CCN(CC1)[*:1] Fc1ccccc1[C@H](c1nnnn1C1CCCCC1)[*:1]
NC(=O)C1CCN([C@H](c2ccccc2F)c2nnnn2C2CCCCC2)CC1 Fc1ccccc1[*:1] NC(=O)C1CCN(CC1)[C@H](c1nnnn1C1CCCCC1)[*:1]
NC(=O)C1CCN([C@H](c2ccccc2F)c2nnnn2C2CCCCC2)CC1 C1CCC(CC1)[*:1] NC(=O)C1CCN(CC1)[C@H](c1ccccc1F)c1nnnn1[*:1]
CN(Cc1cccs1)C(=O)c1cc(-c2cccs2)nc2ccccc12 c1csc(c1)[*:1] CN(Cc1cccs1)C(=O)c1cc(nc2ccccc12)[*:1]
CN(Cc1cccs1)C(=O)c1cc(-c2cccs2)nc2ccccc12 c1csc(c1)[*:1] CN(C[*:1])C(=O)c1cc(nc2ccccc12)-c1cccs1
CN(Cc1cccs1)C(=O)c1cc(-c2cccs2)nc2ccccc12 c1csc(c1)C[*:1] CN(C(=O)c1cc(nc2ccccc12)-c1cccs1)[*:1]
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])Nc1ccc2c(c1)nc1CCCCCn12
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])Nc1ccc2c(c1)nc1CCCCCn12
Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@H](C)C(=O)OC(C)C)C2 CC(C)OC(=O)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)NC[C@H](C)[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@H](C)C(=O)OC(C)C)C2 CC(C)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)NC[C@H](C)C(=O)O[*:1]
NC(=O)c1ccc(N(CC(=O)[O-])C2CCCC2)nn1 O=C([O-])C[*:1] NC(=O)c1ccc(nn1)N(C1CCCC1)[*:1]
NC(=O)c1ccc(N(CC(=O)[O-])C2CCCC2)nn1 NC(=O)[*:1] O=C([O-])CN(c1ccc(nn1)[*:1])C1CCCC1
NC(=O)c1ccc(N(CC(=O)[O-])C2CCCC2)nn1 C1CCC(C1)[*:1] NC(=O)c1ccc(nn1)N(CC(=O)[O-])[*:1]
NC(=O)c1ccc(N(CC(=O)[O-])C2CCCC2)nn1 O=C([O-])[*:1] NC(=O)c1ccc(nn1)N(C[*:1])C1CCCC1
O=S1(=O)N=C(NCC/C([O-])=N/c2ncn[nH]2)c2ccccc21 c1n[nH]c(n1)[*:1] O=S1(=O)N=C(NCCC([O-])=N[*:1])c2ccccc21
CCCCn1nc(C(=O)N(C)C[C@@H](C)c2ccccc2)ccc1=O C[C@@H](c1ccccc1)[*:1] CCCCn1nc(ccc1=O)C(=O)N(C)C[*:1]
CCCCn1nc(C(=O)N(C)C[C@@H](C)c2ccccc2)ccc1=O CCC[*:1] C[C@H](CN(C)C(=O)c1ccc(=O)n(C[*:1])n1)c1ccccc1
CCCCn1nc(C(=O)N(C)C[C@@H](C)c2ccccc2)ccc1=O c1ccc(cc1)[*:1] CCCCn1nc(ccc1=O)C(=O)N(C)C[C@@H](C)[*:1]
CCCCn1nc(C(=O)N(C)C[C@@H](C)c2ccccc2)ccc1=O CCCC[*:1] C[C@H](CN(C)C(=O)c1ccc(=O)n(n1)[*:1])c1ccccc1
CS[C@@H]1CCC[C@H](NC(=O)CCOc2cccc(C(N)=O)c2)C1 NC(=O)[*:1] CS[C@@H]1CCC[C@@H](C1)NC(=O)CCOc1cccc(c1)[*:1]
O=C(c1cccnc1SC(F)F)N1CCC(NS(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccnc1SC(F)F)N1CCC(CC1)NS(=O)(=O)[*:1]
O=C(c1cccnc1SC(F)F)N1CCC(NS(=O)(=O)c2ccccc2)CC1 FC(F)S[*:1] O=C(c1cccnc1[*:1])N1CCC(CC1)NS(=O)(=O)c1ccccc1
O=C(c1cccnc1SC(F)F)N1CCC(NS(=O)(=O)c2ccccc2)CC1 FC(F)[*:1] O=C(c1cccnc1S[*:1])N1CCC(CC1)NS(=O)(=O)c1ccccc1
NS(=O)(=O)c1ccc(CCNC(=O)Cc2coc3ccc(Br)cc23)cc1 NS(=O)(=O)[*:1] O=C(Cc1coc2ccc(Br)cc12)NCCc1ccc(cc1)[*:1]
COc1cccc([C@@H](C)N2CC[NH+](CCC(=O)[O-])CC2)c1 O=C([O-])[*:1] COc1cccc(c1)[C@@H](C)N1CC[NH+](CC1)CC[*:1]
C#CCCN(C)CCS(C)(=O)=O C#CCC[*:1] CN(CCS(C)(=O)=O)[*:1]
C#CCCN(C)CCS(C)(=O)=O C#CC[*:1] CN(CCS(C)(=O)=O)C[*:1]
C#CCCN(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] C#CCCN(C)CC[*:1]
O[C@]1(c2cccs2)CN(c2cccc(C(F)(F)F)c2)C2=[N+]1CCCCC2 c1csc(c1)[*:1] O[C@@]1(CN(C2CCCCC[N+]=21)c1cccc(c1)C(F)(F)F)[*:1]
O[C@]1(c2cccs2)CN(c2cccc(C(F)(F)F)c2)C2=[N+]1CCCCC2 FC(F)(F)[*:1] O[C@@]1(CN(C2CCCCC[N+]=21)c1cccc(c1)[*:1])c1cccs1
O=C(c1cnc2ncnn2c1[O-])N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cnc2ncnn2c1[O-])N1CCC[C@@H](C1)c1[nH]ncc1[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)N[C@H]1CCC[C@H](C1)S(C)(=O)=O)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] Cc1ccc(c(c1)OCC(=O)N[C@H]1CCC[C@@H](C1)[*:1])C(C)C
COc1ccc(C2=NN(C(=O)COc3cccc4c3CCNC4=O)[C@H](c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)COc1cccc2C(=O)NCCc12)[*:1]
COc1ccc(C2=NN(C(=O)COc3cccc4c3CCNC4=O)[C@H](c3ccc(C)cc3)C2)cc1 O=C1NCCc2c1cccc2[*:1] COc1ccc(cc1)C1C[C@@H](c2ccc(C)cc2)N(N=1)C(=O)CO[*:1]
COc1ccc(C2=NN(C(=O)COc3cccc4c3CCNC4=O)[C@H](c3ccc(C)cc3)C2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1CC(=NN1C(=O)COc1cccc2C(=O)NCCc12)[*:1]
NC1=[NH+]c2nc3cc4c(cc3n2[C@H](c2cc(Br)ccc2OC(F)F)N1)OCCCO4 FC(F)O[*:1] NC1N[C@@H](c2cc(Br)ccc2[*:1])n2c(nc3cc4OCCCOc4cc32)[NH+]=1
NC1=[NH+]c2nc3cc4c(cc3n2[C@H](c2cc(Br)ccc2OC(F)F)N1)OCCCO4 FC(F)[*:1] NC1N[C@@H](c2cc(Br)ccc2O[*:1])n2c(nc3cc4OCCCOc4cc32)[NH+]=1
CS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 C1CCN(CC1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1cc(Cl)ccc1[*:1]
CS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 CS(=O)(=O)[*:1] O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cccc(c1)[*:1]
CSc1ncc2c([O-])c(C(=O)Nc3ccc(Cl)cn3)sc2n1 Clc1ccc(nc1)[*:1] CSc1ncc2c([O-])c(sc2n1)C(=O)N[*:1]
CC[C@H](O)CN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 CC[C@H](O)C[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(CC1)[*:1]
CC[C@H](O)CN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 CC[C@H](O)[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(CC1)C[*:1]
CCS(=O)(=O)Nc1ccccc1C/C=C1\Nc2ccccc2N1C CCS(=O)(=O)N[*:1] CN1/C(=C/Cc2ccccc2[*:1])Nc2ccccc21
CCOc1ccc(-c2nc(-c3ccc4c(c3)=[NH+]C(=O)[NH+]=4)cs2)cc1 CCO[*:1] O=C1[NH+]=c2ccc(cc2=[NH+]1)-c1csc(n1)-c1ccc(cc1)[*:1]
O=C(NNC(=O)c1cccc2cn[nH]c12)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(NNC(=O)c1cccc2cn[nH]c12)c1cc(on1)[*:1]
C[C@@H]1CCN(C(=O)CCNC(=O)OC(C)(C)C)c2ccccc21 CC(C)(C)[*:1] C[C@@H]1CCN(C(=O)CCNC(=O)O[*:1])c2ccccc21
CCc1ccsc1C(=O)N[C@H](/C(N)=N/O)C1CC1 N/C(=N\O)[*:1] CCc1ccsc1C(=O)N[C@H](C1CC1)[*:1]
CCc1ccsc1C(=O)N[C@H](/C(N)=N/O)C1CC1 C1CC1[*:1] CCc1ccsc1C(=O)N[C@H](/C(N)=N/O)[*:1]
Cc1ccc(OCCCCn2c(CO)nc3cc(C)c(C)cc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cc2nc(CO)n(CCCCO[*:1])c2cc1C
O=[N+]([O-])c1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc2OCCOc2c1)N(Cc1cccc(c1)[*:1])Cc1ccco1
O=[N+]([O-])c1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 c1cc2OCCOc2cc1[*:1] O=[N+]([O-])c1cccc(c1)CN(Cc1ccco1)S(=O)(=O)[*:1]
O=[N+]([O-])c1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 O=[N+]([O-])c1cccc(c1)C[*:1] O=S(=O)(c1ccc2OCCOc2c1)N(Cc1ccco1)[*:1]
O=[N+]([O-])c1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 c1coc(c1)[*:1] O=[N+]([O-])c1cccc(c1)CN(C[*:1])S(=O)(=O)c1ccc2OCCOc2c1
O=[N+]([O-])c1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 c1coc(c1)C[*:1] O=[N+]([O-])c1cccc(c1)CN(S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
O=[N+]([O-])c1cccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N(Cc1ccco1)C[*:1]
CCC1(CNC(=O)N[C@@H](C)Cc2c(C)noc2C)CCC1 Cc1noc(C)c1[*:1] CCC1(CCC1)CNC(=O)N[C@@H](C)C[*:1]
CCC1(CNC(=O)N[C@@H](C)Cc2c(C)noc2C)CCC1 CCC1(CCC1)C[*:1] Cc1noc(C)c1C[C@H](C)NC(=O)N[*:1]
CCC1(CNC(=O)N[C@@H](C)Cc2c(C)noc2C)CCC1 CCC1(CCC1)[*:1] Cc1noc(C)c1C[C@H](C)NC(=O)NC[*:1]
O=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CCCCCC1 Fc1cccc(c1)[*:1] O=C(c1cc(CO[*:1])[nH]n1)N1CCCCCC1
CCCn1cc(C(=O)N2CCC[C@@H](C)C2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 Clc1cccc(c1)[*:1] CCCn1cc(C(=O)N2CCC[C@@H](C)C2)c(n1)S(=O)(=O)N1CCN(CC1)[*:1]
CCCn1cc(C(=O)N2CCC[C@@H](C)C2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 CCC[*:1] C[C@@H]1CCCN(C1)C(=O)c1cn(nc1S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
CN(CCCOc1ccccc1)C(=O)Cn1c(=O)[nH]c2ccccc21 c1ccc(cc1)[*:1] CN(CCCO[*:1])C(=O)Cn1c(=O)[nH]c2ccccc21
CN(CCCOc1ccccc1)C(=O)Cn1c(=O)[nH]c2ccccc21 c1ccc(cc1)O[*:1] CN(CCC[*:1])C(=O)Cn1c(=O)[nH]c2ccccc21
CN(CCCOc1ccccc1)C(=O)Cn1c(=O)[nH]c2ccccc21 c1ccc(cc1)OC[*:1] CN(CC[*:1])C(=O)Cn1c(=O)[nH]c2ccccc21
COC(=O)c1cccc(CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 COC(=O)[*:1] C[C@]1(NC(=O)N(Cc2cccc(c2)[*:1])C1=O)c1ccccc1
COC(=O)c1cccc(CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] COC(=O)c1cccc(c1)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nnc(-c2ccccc2Cl)s1 Clc1ccccc1[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nnc(s1)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nnc(-c2ccccc2Cl)s1 c1ccc2c(c[nH]c2c1)C[*:1] CC(=O)N[C@H](C(=O)Nc1nnc(s1)-c1ccccc1Cl)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nnc(-c2ccccc2Cl)s1 CC(=O)N[*:1] O=C(Nc1nnc(s1)-c1ccccc1Cl)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nnc(-c2ccccc2Cl)s1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)Nc1nnc(s1)-c1ccccc1Cl
C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(NC2CCCCC2)s1 C1CCC(CC1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(N[*:1])s1
C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(NC2CCCCC2)s1 C1CCC(CC1)N[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(s1)[*:1]
CCc1c(C(=O)Nc2ccc(F)cc2F)nnn1-c1ccc(OC(F)F)cc1 FC(F)O[*:1] CCc1c(nnn1-c1ccc(cc1)[*:1])C(=O)Nc1ccc(F)cc1F
CCc1c(C(=O)Nc2ccc(F)cc2F)nnn1-c1ccc(OC(F)F)cc1 Fc1ccc(c(F)c1)[*:1] CCc1c(nnn1-c1ccc(cc1)OC(F)F)C(=O)N[*:1]
CCc1c(C(=O)Nc2ccc(F)cc2F)nnn1-c1ccc(OC(F)F)cc1 FC(F)[*:1] CCc1c(nnn1-c1ccc(cc1)O[*:1])C(=O)Nc1ccc(F)cc1F
[NH3+][C@@H]1C=C[C@@H](c2nc(C3CCC3)no2)C1 C1CC(C1)[*:1] [NH3+][C@@H]1C=C[C@H](C1)c1nc(no1)[*:1]
CC[C@H](NC(=O)c1scnc1C1CC1)c1ccc2c(c1)OCCO2 C1CC1[*:1] CC[C@H](NC(=O)c1scnc1[*:1])c1ccc2OCCOc2c1
CC[C@H](NC(=O)c1scnc1C1CC1)c1ccc2c(c1)OCCO2 c1nc(c(s1)[*:1])C1CC1 CC[C@H](NC(=O)[*:1])c1ccc2OCCOc2c1
CNC(=O)CC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 CNC(=O)C[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC(CC1)[*:1])c1cccs1
CNC(=O)CC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 c1csc(c1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CNC(=O)CC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 CNC(=O)[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC(CC1)C[*:1])c1cccs1
Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NC1CCCC1)O2 C1CCC(C1)[*:1] Cc1ccc2O[C@@H](CN(c2c1)S(C)(=O)=O)C(=O)N[*:1]
COc1cc(C)sc1C(=O)N(C)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] COc1cc(C)sc1C(=O)N(C)[*:1]
COc1cc(C)sc1C(=O)N(C)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1cc(C)sc1C(=O)N(C)C[*:1]
O=C(CCc1ccsc1)N1CCC(OCc2cccnc2)CC1 c1cc(cs1)C[*:1] O=C(C[*:1])N1CCC(CC1)OCc1cccnc1
O=C(CCc1ccsc1)N1CCC(OCc2cccnc2)CC1 c1cncc(c1)[*:1] O=C(CCc1ccsc1)N1CCC(CC1)OC[*:1]
O=C(CCc1ccsc1)N1CCC(OCc2cccnc2)CC1 c1cc(cs1)[*:1] O=C(CC[*:1])N1CCC(CC1)OCc1cccnc1
O=C(CCc1ccsc1)N1CCC(OCc2cccnc2)CC1 c1cc(cs1)CC[*:1] O=C(N1CCC(CC1)OCc1cccnc1)[*:1]
O=C(CCc1ccsc1)N1CCC(OCc2cccnc2)CC1 c1cncc(c1)C[*:1] O=C(CCc1ccsc1)N1CCC(CC1)O[*:1]
COc1cccc(C(=O)NNC(=O)C(C)(C)C)c1OC CC(C)(C)[*:1] COc1cccc(C(=O)NNC(=O)[*:1])c1OC
C=CCn1c(SCC(=O)N(C(C)C)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 CC(C)[*:1] C=CCn1c(nc2sc3C[C@@H](C)CCc3c2c1=O)SCC(=O)N(C(C)C)[*:1]
C=CCn1c(SCC(=O)N(C(C)C)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 C=CC[*:1] CC(C)N(C(=O)CSc1nc2sc3C[C@@H](C)CCc3c2c(=O)n1[*:1])C(C)C
C=CCn1c(SCC(=O)N(C(C)C)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 CC(C)N(C(=O)[*:1])C(C)C C=CCn1c(nc2sc3C[C@@H](C)CCc3c2c1=O)SC[*:1]
CC1CCN(c2nnc(-n3cccc3CN3CC[NH+](C)CC3)s2)CC1 CC1CCN(CC1)[*:1] C[NH+]1CCN(CC1)Cc1cccn1-c1nnc(s1)[*:1]
O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CCCN(C1)C(=O)N1CCCC1
CS(=O)(=O)Nc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 CS(=O)(=O)N[*:1] O=C(COc1cccc(c1)[N+](=O)[O-])Nc1cccc(c1)[*:1]
CS(=O)(=O)Nc1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CS(=O)(=O)Nc1cccc(c1)NC(=O)COc1cccc(c1)[*:1]
C/[NH+]=C(/NCc1csc(C(C)C)n1)N1CCN(c2cccc[nH+]2)CC1 CC(C)[*:1] C/[NH+]=C(/NCc1csc(n1)[*:1])N1CCN(CC1)c1cccc[nH+]1
C/[NH+]=C(/NCc1csc(C(C)C)n1)N1CCN(c2cccc[nH+]2)CC1 c1ccc([nH+]c1)[*:1] C/[NH+]=C(/NCc1csc(n1)C(C)C)N1CCN(CC1)[*:1]
C/[NH+]=C(/NCc1csc(C(C)C)n1)N1CCN(c2cccc[nH+]2)CC1 CC(C)c1nc(cs1)[*:1] C/[NH+]=C(/NC[*:1])N1CCN(CC1)c1cccc[nH+]1
CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c(C)o1 N#Cc1ccc(cc1)[*:1] CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[*:1])c(C)o1
CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)N[C@@H](C)c1ccc(C#N)cc1)[*:1]
O=S(=O)([N-]c1cnc(N2CCN(c3cccc[nH+]3)CC2)nc1)c1ccccc1Cl Clc1ccccc1[*:1] O=S(=O)([N-]c1cnc(nc1)N1CCN(CC1)c1cccc[nH+]1)[*:1]
Cc1ccccc1CCNC(=O)c1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] Cc1ccccc1CCNC(=O)c1ccc(cc1)[*:1]
Cc1ccccc1CCNC(=O)c1ccc(Cn2cccn2)cc1 Cc1ccccc1C[*:1] O=C(NC[*:1])c1ccc(cc1)Cn1cccn1
Cc1ccccc1CCNC(=O)c1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] Cc1ccccc1CCNC(=O)c1ccc(cc1)C[*:1]
Cc1ccccc1CCNC(=O)c1ccc(Cn2cccn2)cc1 Cc1ccccc1[*:1] O=C(NCC[*:1])c1ccc(cc1)Cn1cccn1
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(cc1)[*:1]
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(NC(C)=O)cc1 CCOC(=O)[*:1] CC(=O)Nc1ccc(cc1)[C@@H]1NC(=O)NC(C)=C1[*:1]
C[C@@H](OC(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C Cn1cc(cn1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C
CCCc1ccc(OCc2cnc(N)s2)cc1 CCC[*:1] Nc1ncc(COc2ccc(cc2)[*:1])s1
O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1C[C@@H]2CC=CC[C@H]2C1 C1CC1[*:1] O=C(c1cc(nc2ccc(F)cc12)[*:1])N1C[C@@H]2CC=CC[C@H]2C1
CS[C@H](C)CC(=O)Nc1cc(C(C)(C)C)sc1C#N CC(C)(C)[*:1] CS[C@H](C)CC(=O)Nc1cc(sc1C#N)[*:1]
CS[C@H](C)CC(=O)Nc1cc(C(C)(C)C)sc1C#N CS[C@H](C)C[*:1] CC(C)(C)c1cc(NC(=O)[*:1])c(C#N)s1
CS[C@H](C)CC(=O)Nc1cc(C(C)(C)C)sc1C#N CS[C@H](C)[*:1] CC(C)(C)c1cc(NC(=O)C[*:1])c(C#N)s1
C[C@H]1CCCN(C(=O)Nc2cccc(OC(F)(F)F)c2)C1 FC(F)(F)[*:1] C[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)O[*:1]
C[C@H]1CCCN(C(=O)Nc2cccc(OC(F)(F)F)c2)C1 FC(F)(F)O[*:1] C[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)[*:1]
COc1ccccc1NC(=O)CCNC(=O)c1csc2ncccc2c1=O COc1ccccc1[*:1] O=C(CCNC(=O)c1csc2ncccc2c1=O)N[*:1]
COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc4c(c3)OCO4)n2)cc1 COc1ccc(cc1)[*:1] Cc1nn(-c2nncc(n2)[*:1])c2NC(=O)C[C@@H](c3ccc4OCOc4c3)c12
COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc4c(c3)OCO4)n2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)-c1cnnc(n1)-n1nc(C)c2c1NC(=O)C[C@@H]2[*:1]
C[C@H]1CCC[C@@H](C(=O)[C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)C1 FC(F)(F)[*:1] C[C@H]1CCC[C@H](C1)C(=O)[C@@H](C#N)c1ncc(cc1Cl)[*:1]
C[C@H]1CCC[C@@H](C(=O)[C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)C1 C[C@H]1CCC[C@@H](C1)[*:1] N#C[C@H](C(=O)[*:1])c1ncc(cc1Cl)C(F)(F)F
Cn1cc(CCN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cn1 Clc1cccc(c1Cl)[*:1] Cn1cc(cn1)CCN1CCN(CC1)C(=O)[*:1]
Cn1cc(CCN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cn1 Cn1cc(cn1)C[*:1] O=C(c1cccc(Cl)c1Cl)N1CCN(CC1)C[*:1]
Cn1cc(CCN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cn1 Cn1cc(cn1)[*:1] O=C(c1cccc(Cl)c1Cl)N1CCN(CC1)CC[*:1]
Cn1cc(CCN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cn1 Cn1cc(cn1)CC[*:1] O=C(c1cccc(Cl)c1Cl)N1CCN(CC1)[*:1]
CCCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 Cc1cccc(c1C)[*:1] CCCc1nnc2S[C@H](C(=O)N[*:1])[C@H](Nn12)c1ccc(OC)c(Cl)c1
CCCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 COc1ccc(cc1Cl)[*:1] CCCc1nnc2S[C@H](C(=O)Nc3cccc(C)c3C)[C@@H](Nn12)[*:1]
CCCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 CCC[*:1] COc1ccc(cc1Cl)[C@H]1Nn2c(nnc2[*:1])S[C@@H]1C(=O)Nc1cccc(C)c1C
CC(C)Cc1noc([C@@H]2CC=CC[C@H]2C(=O)[O-])n1 CC(C)C[*:1] O=C([O-])[C@@H]1CC=CC[C@H]1c1nc(no1)[*:1]
CC(C)Cc1noc([C@@H]2CC=CC[C@H]2C(=O)[O-])n1 O=C([O-])[*:1] CC(C)Cc1noc(n1)[C@@H]1CC=CC[C@@H]1[*:1]
CC(C)Cc1noc([C@@H]2CC=CC[C@H]2C(=O)[O-])n1 CC(C)[*:1] O=C([O-])[C@@H]1CC=CC[C@H]1c1nc(C[*:1])no1
CC(C)[C@@H](NC(=O)CCn1cccn1)c1cccs1 CC(C)[*:1] O=C(CCn1cccn1)N[C@@H](c1cccs1)[*:1]
CC(C)[C@@H](NC(=O)CCn1cccn1)c1cccs1 c1cnn(c1)C[*:1] CC(C)[C@@H](NC(=O)C[*:1])c1cccs1
CC(C)[C@@H](NC(=O)CCn1cccn1)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)CCn1cccn1)[*:1]
CC(C)[C@@H](NC(=O)CCn1cccn1)c1cccs1 c1cnn(c1)[*:1] CC(C)[C@@H](NC(=O)CC[*:1])c1cccs1
c1[nH]c2c([nH+]1)C[C@@H](c1nc([C@H]3COCCO3)no1)NC2 C1CO[C@H](CO1)[*:1] c1[nH]c2CN[C@@H](Cc2[nH+]1)c1nc(no1)[*:1]
CC(C)n1ncc2cc(CN3CCO[C@H](C)[C@H]3C)c(Cl)nc21 CC(C)[*:1] C[C@H]1OCCN(Cc2cc3cnn(c3nc2Cl)[*:1])[C@@H]1C
CN(Cc1cccn1C)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 c1cc2OCCc2cc1[*:1] CN(Cc1cccn1C)C(=O)Nc1cccc(c1)[*:1]
CN(Cc1cccn1C)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 Cn1cccc1C[*:1] CN(C(=O)Nc1cccc(c1)-c1ccc2OCCc2c1)[*:1]
CN(Cc1cccn1C)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 Cn1cccc1[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)-c1ccc2OCCc2c1
C[C@@H]1CCN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 CC(C)(C)[*:1] C[C@@H]1CCN(C1)S(=O)(=O)c1ccc(CCNC(=O)[*:1])s1
C[C@@H]1CCN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 CC(C)(C)C(=O)N[*:1] C[C@@H]1CCN(C1)S(=O)(=O)c1ccc(CC[*:1])s1
COc1ccc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)cn1 O=C1CCCCN1[*:1] COc1ccc(cn1)NC(=O)[C@H](CC(C)C)[*:1]
COc1ccc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)cn1 CC(C)[*:1] COc1ccc(cn1)NC(=O)[C@H](C[*:1])N1CCCCC1=O
COc1ccc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)cn1 CC(C)C[*:1] COc1ccc(cn1)NC(=O)[C@H](N1CCCCC1=O)[*:1]
CCCS(=O)(=O)N1CCC[C@@H](C(=O)N(CC)c2ccccc2C)C1 CCC[*:1] CCN(C(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1])c1ccccc1C
CCCS(=O)(=O)N1CCC[C@@H](C(=O)N(CC)c2ccccc2C)C1 Cc1ccccc1[*:1] CCCS(=O)(=O)N1CCC[C@H](C1)C(=O)N(CC)[*:1]
O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccs2)N1CCN1CCOCC1 C1CN(CCO1)C[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccs2)N1C[*:1]
O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccs2)N1CCN1CCOCC1 c1csc(c1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](N1CCN1CCOCC1)[*:1]
O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccs2)N1CCN1CCOCC1 C1CN(CCO1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccs2)N1CC[*:1]
O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccs2)N1CCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccs2)N1[*:1]
Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)c2cc(nc3onc(C)c23)[*:1])c1C
Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1C Cc1cccc(c1C)[*:1] Cc1noc2nc(cc(C(=O)N[*:1])c12)-c1ccccc1
COc1cccc(N(Cc2nc(C)no2)Cc2nc(C)no2)c1 Cc1noc(n1)[*:1] COc1cccc(c1)N(Cc1nc(C)no1)C[*:1]
COc1cccc(N(Cc2nc(C)no2)Cc2nc(C)no2)c1 Cc1noc(C[*:1])n1 COc1cccc(c1)N(Cc1nc(C)no1)[*:1]
CCOc1ccc(OCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 CCOc1ccc(cc1)[*:1] O=C(CO[*:1])Oc1ccc2c3CCCc3c(=O)oc2c1
CCOc1ccc(OCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 CCO[*:1] O=C(COc1ccc(cc1)[*:1])Oc1ccc2c3CCCc3c(=O)oc2c1
CC(=O)Nc1ccc(/C=C/C(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1 CC(=O)N[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)/C=C/c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(/C=C/C(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1 Fc1ccc(F)c(c1)[*:1] CC(=O)Nc1ccc(/C=C/C(=O)N(C)[C@H](C)[*:1])cc1
COc1cc(CNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)ccn1 COc1cc(ccn1)[*:1] CC(C)(C)C(=O)Nc1ccc(F)c(c1)C(=O)NC[*:1]
COc1cc(CNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)ccn1 CC(C)(C)[*:1] COc1cc(ccn1)CNC(=O)c1cc(ccc1F)NC(=O)[*:1]
COc1cc(CNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)ccn1 CC(C)(C)C(=O)N[*:1] COc1cc(ccn1)CNC(=O)c1cc(ccc1F)[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 CC(C)C[*:1] CNC(=O)[C@H](NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-])[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1cccc(c1)[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 CC(C)[*:1] CNC(=O)[C@H](C[*:1])NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
CNC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 CNC(=O)[*:1] CC(C)C[C@H](NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-])[*:1]
COC(=O)c1ccc(NC(=O)[C@H](C)n2cnc3ccccc3c2=O)cc1 COC(=O)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])n1cnc2ccccc2c1=O
CS(=O)(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 CS(=O)(=O)NC[*:1] Fc1cccc(c1)[C@H](N1CCOCC1)[*:1]
CS(=O)(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 C1CN(CCO1)[*:1] CS(=O)(=O)NC[C@H](c1cccc(F)c1)[*:1]
CS(=O)(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 CS(=O)(=O)N[*:1] Fc1cccc(c1)[C@@H](C[*:1])N1CCOCC1
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C=O CC(C)(C)[*:1] C[C@H]1OC(C)(C)N(C(=O)O[*:1])[C@H]1C=O
Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1nn(cc1C(=O)N1CCCC1)[*:1]
Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)-c1nn(cc1[*:1])-c1ccccc1
Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCC2)c1 Cc1cccc(c1)[*:1] O=C(c1cn(nc1[*:1])-c1ccccc1)N1CCCC1
Cc1cc(Br)ccc1NC(=O)CCCn1c2ccccc2c(=O)c2ccccc21 Cc1cc(Br)ccc1[*:1] O=C(CCCn1c2ccccc2c(=O)c2ccccc21)N[*:1]
Cc1nn2ncc(C(=O)NCCc3ccc(OCc4ccccc4)cc3)c2[nH]1 c1ccc(cc1)[*:1] Cc1nn2ncc(C(=O)NCCc3ccc(cc3)OC[*:1])c2[nH]1
Cc1nn2ncc(C(=O)NCCc3ccc(OCc4ccccc4)cc3)c2[nH]1 c1ccc(cc1)C[*:1] Cc1nn2ncc(C(=O)NCCc3ccc(cc3)O[*:1])c2[nH]1
Cc1nn2ncc(C(=O)NCCc3ccc(OCc4ccccc4)cc3)c2[nH]1 c1ccc(cc1)CO[*:1] Cc1nn2ncc(C(=O)NCCc3ccc(cc3)[*:1])c2[nH]1
CCn1ncc2c(C(=O)Nc3cccc(F)c3)cc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)Nc1cccc(F)c1
CCn1ncc2c(C(=O)Nc3cccc(F)c3)cc(-c3ccccc3)nc21 Fc1cccc(c1)[*:1] CCn1ncc2c(cc(nc21)-c1ccccc1)C(=O)N[*:1]
C[NH+](C)[C@@H](CNC(=O)C[C@H]1C=CCC1)c1ccsc1 c1cc(cs1)[*:1] C[NH+](C)[C@@H](CNC(=O)C[C@H]1C=CCC1)[*:1]
CS(=O)(=O)CCNc1ncc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] CS(=O)(=O)CCNc1ncc(cc1Br)[*:1]
CS(=O)(=O)CCNc1ncc([N+](=O)[O-])cc1Br CS(=O)(=O)[*:1] O=[N+]([O-])c1cnc(NCC[*:1])c(Br)c1
CS(=O)(=O)CCNc1ncc([N+](=O)[O-])cc1Br CS(=O)(=O)C[*:1] O=[N+]([O-])c1cnc(NC[*:1])c(Br)c1
C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccccc1Cl)S(=O)(=O)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 Clc1ccccc1[*:1] C[C@H]1Cc2ccccc2N1C(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
Cc1ccc(NC(=S)NNC(=O)COc2ccccc2F)c(C)c1 Fc1ccccc1[*:1] Cc1ccc(NC(=S)NNC(=O)CO[*:1])c(C)c1
Cc1ccc(NC(=S)NNC(=O)COc2ccccc2F)c(C)c1 Fc1ccccc1O[*:1] Cc1ccc(NC(=S)NNC(=O)C[*:1])c(C)c1
Cc1ccc(NC(=S)NNC(=O)COc2ccccc2F)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(COc1ccccc1F)NNC(=S)N[*:1]
C=CCn1c(C)nc2sc(CC)cc2c1=O C=CC[*:1] CCc1cc2c(=O)n(c(C)nc2s1)[*:1]
COCc1cc(SCC(=O)[O-])nc(-c2ccncc2)n1 COC[*:1] O=C([O-])CSc1cc(nc(n1)-c1ccncc1)[*:1]
COCc1cc(SCC(=O)[O-])nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] COCc1cc(nc(n1)[*:1])SCC(=O)[O-]
COCc1cc(SCC(=O)[O-])nc(-c2ccncc2)n1 O=C([O-])[*:1] COCc1cc(nc(n1)-c1ccncc1)SC[*:1]
COCc1cc(SCC(=O)[O-])nc(-c2ccncc2)n1 O=C([O-])C[*:1] COCc1cc(nc(n1)-c1ccncc1)S[*:1]
COCc1cc(SCC(=O)[O-])nc(-c2ccncc2)n1 O=C([O-])CS[*:1] COCc1cc(nc(n1)-c1ccncc1)[*:1]
CC(C)c1csc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)n1 CC(C)c1csc(n1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccs1
CC(C)c1csc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)n1 c1csc(c1)[*:1] CC(C)c1csc(n1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)c1csc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)n1 CC(C)[*:1] O=C(Nc1nc(cs1)[*:1])C1CCN(CC1)C(=O)c1cccs1
O=C(Cc1cc(F)ccc1F)N[C@H](CO)c1ccccc1F Fc1ccccc1[*:1] O=C(Cc1cc(F)ccc1F)N[C@H](CO)[*:1]
CCC(=O)[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(C3CCCC3)C2=O)C1 C1CCC(C1)[*:1] CCC(=O)[C@H]1CCCN(C1)C(=O)C[C@]1(CC(=O)N(C1=O)[*:1])c1ccccc1F
CCC(=O)[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(C3CCCC3)C2=O)C1 CCC(=O)[*:1] O=C(C[C@]1(CC(=O)N(C1=O)C1CCCC1)c1ccccc1F)N1CCC[C@@H](C1)[*:1]
CCC(=O)[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(C3CCCC3)C2=O)C1 Fc1ccccc1[*:1] CCC(=O)[C@H]1CCCN(C1)C(=O)C[C@]1(CC(=O)N(C1=O)C1CCCC1)[*:1]
Cn1c(CCNC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)nc2cc(F)ccc21 c1ccc(cc1)[*:1] Cn1c(CCNC(=O)C2(CCCC2)NC(=O)NC[*:1])nc2cc(F)ccc21
Cn1c(CCNC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)nc2cc(F)ccc21 c1ccc(cc1)C[*:1] Cn1c(CCNC(=O)C2(CCCC2)NC(=O)N[*:1])nc2cc(F)ccc21
CCN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C/c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)C=C[*:1]
C=CCNC(=O)c1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 C=CCNC(=O)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Nc1ccc(cc1)[*:1]
C=CCNC(=O)c1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 C=CC[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCSc1cncc(N(C)C[C@H](C)O)n1 C[C@H](O)[*:1] CCSc1cncc(n1)N(C)C[*:1]
CCSc1cncc(N(C)C[C@H](C)O)n1 C[C@H](O)C[*:1] CCSc1cncc(n1)N(C)[*:1]
CCSc1cncc(N(C)C[C@H](C)O)n1 CCS[*:1] C[C@H](O)CN(C)c1cncc(n1)[*:1]
CC(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)N(C)CC(F)F FC(F)[*:1] CC(C)n1nc(cc1NC(=O)C(=O)N(C)C[*:1])-c1ccccc1
CC(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)N(C)CC(F)F FC(F)C[*:1] CC(C)n1nc(cc1NC(=O)C(=O)N(C)[*:1])-c1ccccc1
CC(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)N(C)CC(F)F c1ccc(cc1)[*:1] CC(C)n1nc(cc1NC(=O)C(=O)N(C)CC(F)F)[*:1]
CC(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)N(C)CC(F)F CC(C)[*:1] CN(CC(F)F)C(=O)C(=O)Nc1cc(nn1[*:1])-c1ccccc1
Cc1ccc(NC(=S)N(Cc2ccncc2)Cc2ccco2)c(C)c1 c1coc(c1)[*:1] Cc1ccc(NC(=S)N(Cc2ccncc2)C[*:1])c(C)c1
Cc1ccc(NC(=S)N(Cc2ccncc2)Cc2ccco2)c(C)c1 c1coc(c1)C[*:1] Cc1ccc(NC(=S)N(Cc2ccncc2)[*:1])c(C)c1
Cc1ccc(NC(=S)N(Cc2ccncc2)Cc2ccco2)c(C)c1 Cc1ccc(c(C)c1)[*:1] S=C(N[*:1])N(Cc1ccncc1)Cc1ccco1
Cc1ccc(NC(=S)N(Cc2ccncc2)Cc2ccco2)c(C)c1 c1cc(ccn1)C[*:1] Cc1ccc(NC(=S)N(Cc2ccco2)[*:1])c(C)c1
Cc1ccc(NC(=S)N(Cc2ccncc2)Cc2ccco2)c(C)c1 c1cc(ccn1)[*:1] Cc1ccc(NC(=S)N(Cc2ccco2)C[*:1])c(C)c1
CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cnnn2)cc1Cl CC[C@@H](C)[*:1] C[C@H](C[*:1])NC(=O)c1ccc(cc1Cl)-n1cnnn1
CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cnnn2)cc1Cl c1nnnn1[*:1] CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(cc1Cl)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cnnn2)cc1Cl CC[C@@H](C)C[*:1] C[C@@H](NC(=O)c1ccc(cc1Cl)-n1cnnn1)[*:1]
O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(C(=O)C4CCC4)C3)[nH]c(=O)c2C1 C1CC(C1)[*:1] O=C(c1cccs1)N1CCc2nc([nH]c(=O)c2C1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(C(=O)C4CCC4)C3)[nH]c(=O)c2C1 c1csc(c1)[*:1] O=C(C1CCC1)N1CCC[C@H](C1)c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
C[S@@](=O)c1ccc(CNC(=O)[C@@H]2SCCc3sccc32)cc1 C[S@@](=O)[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1SCCc2sccc21
O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(nc1)[*:1]
CC[C@@H](NC(=O)Nc1ccc2c(c1)COC2)[C@H]1CN(Cc2ccccc2)CCO1 c1cc2COCc2cc1[*:1] CC[C@@H](NC(=O)N[*:1])[C@H]1CN(CCO1)Cc1ccccc1
CC[C@@H](NC(=O)Nc1ccc2c(c1)COC2)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)Nc1ccc2COCc2c1)[C@H]1CN(CCO1)C[*:1]
CC[C@@H](NC(=O)Nc1ccc2c(c1)COC2)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)Nc1ccc2COCc2c1)[C@H]1CN(CCO1)[*:1]
CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccon1 c1cc(no1)[*:1] CSC[C@](C)(O)CNC(=O)C(=O)N[*:1]
CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccon1 CSC[*:1] C[C@](O)(CNC(=O)C(=O)Nc1ccon1)[*:1]
CNC(=O)[C@@H]1CNCCN1C(=O)C[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] CNC(=O)[C@@H]1CNCCN1C(=O)C[*:1]
CNC(=O)[C@@H]1CNCCN1C(=O)C[C@@H]1CCCCO1 CNC(=O)[*:1] O=C(C[C@@H]1CCCCO1)N1CCNC[C@H]1[*:1]
COC[C@H](C)N1CCN(C(=O)c2cnn(-c3ccccc3C)c2)CC1 Cc1ccccc1[*:1] COC[C@H](C)N1CCN(CC1)C(=O)c1cnn(c1)[*:1]
COC[C@H](C)N1CCN(C(=O)c2cnn(-c3ccccc3C)c2)CC1 COC[C@H](C)[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N1CCN(CC1)[*:1]
COC[C@H](C)N1CCN(C(=O)c2cnn(-c3ccccc3C)c2)CC1 COC[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N1CCN(CC1)[C@@H](C)[*:1]
CN(C)S(=O)(=O)N1CCN(C(=O)NCCSc2ccccc2)CC1 c1ccc(cc1)S[*:1] CN(C)S(=O)(=O)N1CCN(CC1)C(=O)NCC[*:1]
CN(C)S(=O)(=O)N1CCN(C(=O)NCCSc2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)N1CCN(CC1)C(=O)NCCS[*:1]
CN(C)S(=O)(=O)N1CCN(C(=O)NCCSc2ccccc2)CC1 c1ccc(cc1)SC[*:1] CN(C)S(=O)(=O)N1CCN(CC1)C(=O)NC[*:1]
Cc1ccccc1-c1nnc([S@@](=O)[C@H](C)c2ncc(C(C)(C)C)o2)n1C CC(C)(C)[*:1] Cc1ccccc1-c1nnc(n1C)[S@@](=O)[C@H](C)c1ncc(o1)[*:1]
Cc1ccccc1-c1nnc([S@@](=O)[C@H](C)c2ncc(C(C)(C)C)o2)n1C Cc1ccccc1[*:1] C[C@H](c1ncc(o1)C(C)(C)C)[S@](=O)c1nnc(n1C)[*:1]
N#CSCCN1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O N#CS[*:1] O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1CC[*:1]
N#CSCCN1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O N#CSC[*:1] O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1C[*:1]
N#CSCCN1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O N#CSCC[*:1] O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1[*:1]
COc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4[nH]3)n2)cc1OC c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)CS[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](c4nn(C)c(=O)n4-c4ccccc4)C3)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cn1nc([C@@H]2CCCN(C2)C(=O)[C@H]2CC(=O)N(C2)[*:1])n(-c2ccccc2)c1=O
Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](c4nn(C)c(=O)n4-c4ccccc4)C3)CC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCC[C@H](C1)c1nn(C)c(=O)n1[*:1]
CCCc1nc(CSc2ccnc3ccccc23)no1 CCC[*:1] c1ccc2c(ccnc2c1)SCc1noc(n1)[*:1]
COCCOc1cc(C)ccc1NC(=O)c1nc(-c2ccccc2)cs1 COCC[*:1] Cc1ccc(NC(=O)c2nc(cs2)-c2ccccc2)c(c1)O[*:1]
COCCOc1cc(C)ccc1NC(=O)c1nc(-c2ccccc2)cs1 COC[*:1] Cc1ccc(NC(=O)c2nc(cs2)-c2ccccc2)c(c1)OC[*:1]
COCCOc1cc(C)ccc1NC(=O)c1nc(-c2ccccc2)cs1 COCCO[*:1] Cc1ccc(NC(=O)c2nc(cs2)-c2ccccc2)c(c1)[*:1]
COCCOc1cc(C)ccc1NC(=O)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] COCCOc1cc(C)ccc1NC(=O)c1nc(cs1)[*:1]
Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cccc4c3OCO4)cc2)n1 Cc1cc(=O)[nH]c(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc2OCOc21
C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O FC(F)(F)c1cccc(c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1cccc2ccccc12
C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O c1ccc2c(cccc2c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2cccc(c2)C(F)(F)F)C1=O)[*:1]
C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O FC(F)(F)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2cccc(c2)[*:1])C1=O)c1cccc2ccccc12
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc2c1OCCO2 Cc1cccc(c1C)[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])cc2OCCOc12
Cc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C Cc1ccccc1C[*:1] Cc1ccc(cc1C(=O)N(C)[*:1])S(=O)(=O)N1CCCCC1
Cc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C O=S(=O)(N1CCCCC1)[*:1] Cc1ccccc1CN(C)C(=O)c1cc(ccc1C)[*:1]
Cc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C Cc1ccccc1[*:1] Cc1ccc(cc1C(=O)N(C)C[*:1])S(=O)(=O)N1CCCCC1
O=c1c(Cl)c[nH]c2ccc(C(F)(F)F)cc12 FC(F)(F)[*:1] O=c1c(Cl)c[nH]c2ccc(cc12)[*:1]
COc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] COc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)[*:1]
COc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)C[*:1]
NC(=O)c1cnc(N2CCC(OC[C@@H]3CCCO3)CC2)c(Cl)c1 C1CO[C@@H](C1)C[*:1] NC(=O)c1cnc(c(Cl)c1)N1CCC(CC1)O[*:1]
NC(=O)c1cnc(N2CCC(OC[C@@H]3CCCO3)CC2)c(Cl)c1 C1CO[C@@H](C1)[*:1] NC(=O)c1cnc(c(Cl)c1)N1CCC(CC1)OC[*:1]
NC(=O)c1cnc(N2CCC(OC[C@@H]3CCCO3)CC2)c(Cl)c1 NC(=O)[*:1] Clc1cc(cnc1N1CCC(CC1)OC[C@@H]1CCCO1)[*:1]
NC(=O)c1cnc(N2CCC(OC[C@@H]3CCCO3)CC2)c(Cl)c1 C1CO[C@@H](C1)CO[*:1] NC(=O)c1cnc(c(Cl)c1)N1CCC(CC1)[*:1]
COc1ccc(Oc2ncnc(N(C)C3CC[NH+](C)CC3)c2[N+](=O)[O-])cc1 COc1ccc(cc1)O[*:1] CN(c1ncnc(c1[N+](=O)[O-])[*:1])C1CC[NH+](C)CC1
COc1ccc(Oc2ncnc(N(C)C3CC[NH+](C)CC3)c2[N+](=O)[O-])cc1 COc1ccc(cc1)[*:1] CN(c1ncnc(O[*:1])c1[N+](=O)[O-])C1CC[NH+](C)CC1
COc1ccc(Oc2ncnc(N(C)C3CC[NH+](C)CC3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)Oc1ncnc(c1[*:1])N(C)C1CC[NH+](C)CC1
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 COc1ccc(cc1)[*:1] O=C(NC1CC1)c1cccc(c1)NC(=O)c1cn(nc1[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1C(=O)Nc1cccc(c1)C(=O)NC1CC1)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 C1CC1[*:1] COc1ccc(cc1)-c1nn(cc1C(=O)Nc1cccc(c1)C(=O)N[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 O=C(NC1CC1)[*:1] COc1ccc(cc1)-c1nn(cc1C(=O)Nc1cccc(c1)[*:1])-c1ccccc1
COc1ccc2nc(/N=C/c3ccc([N+](=O)[O-])cc3)sc2c1 O=[N+]([O-])[*:1] COc1ccc2nc(/N=C/c3ccc(cc3)[*:1])sc2c1
COc1ccccc1[C@@H](NC(=O)[C@@H]1CCCO1)C(C)(C)C C1CO[C@@H](C1)[*:1] COc1ccccc1[C@@H](NC(=O)[*:1])C(C)(C)C
COc1ccccc1[C@@H](NC(=O)[C@@H]1CCCO1)C(C)(C)C CC(C)(C)[*:1] COc1ccccc1[C@@H](NC(=O)[C@@H]1CCCO1)[*:1]
Cc1nc2cccnc2n1CCN1CCN(C(=O)Nc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] Cc1nc2cccnc2n1CCN1CCN(CC1)C(=O)N[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncccn2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)Nc1ncccn1
CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncccn2)C1 c1cnc(nc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)N[*:1]
O=C(NC[C@@H]1Cc2ccccc2O1)c1cc(C2CC2)on1 C1CC1[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)c1cc(on1)[*:1]
C[C@@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] C[C@@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccc(cc1)[*:1]
O=C(CCn1cc(Cl)cn1)N1CCc2c(ncnc2N2CCOCC2)C1 Clc1cnn(c1)C[*:1] O=C(C[*:1])N1CCc2c(C1)ncnc2N1CCOCC1
O=C(CCn1cc(Cl)cn1)N1CCc2c(ncnc2N2CCOCC2)C1 C1CN(CCO1)[*:1] O=C(CCn1cc(Cl)cn1)N1CCc2c(C1)ncnc2[*:1]
O=C(CCn1cc(Cl)cn1)N1CCc2c(ncnc2N2CCOCC2)C1 Clc1cnn(c1)CC[*:1] O=C(N1CCc2c(C1)ncnc2N1CCOCC1)[*:1]
O=C(CCn1cc(Cl)cn1)N1CCc2c(ncnc2N2CCOCC2)C1 Clc1cnn(c1)[*:1] O=C(CC[*:1])N1CCc2c(C1)ncnc2N1CCOCC1
O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cc2cccn2cn1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1cc2cccn2cn1
CCn1c(SCC(=O)NOC)nc2ccccc21 CONC(=O)C[*:1] CCn1c(nc2ccccc21)S[*:1]
CCn1c(SCC(=O)NOC)nc2ccccc21 CONC(=O)[*:1] CCn1c(nc2ccccc21)SC[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)n2cnc3ccccc3c2=O)cc1 CC(=O)N[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])n1cnc2ccccc2c1=O
Cc1ccccc1CN(C)C(=O)c1ccccc1CSc1ncn[nH]1 Cc1ccccc1C[*:1] CN(C(=O)c1ccccc1CSc1ncn[nH]1)[*:1]
Cc1ccccc1CN(C)C(=O)c1ccccc1CSc1ncn[nH]1 c1n[nH]c(n1)S[*:1] Cc1ccccc1CN(C)C(=O)c1ccccc1C[*:1]
Cc1ccccc1CN(C)C(=O)c1ccccc1CSc1ncn[nH]1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)c1ccccc1CSc1ncn[nH]1
Cc1ccccc1CN(C)C(=O)c1ccccc1CSc1ncn[nH]1 c1n[nH]c(n1)SC[*:1] Cc1ccccc1CN(C)C(=O)c1ccccc1[*:1]
Cc1ccccc1CN(C)C(=O)c1ccccc1CSc1ncn[nH]1 c1n[nH]c(n1)[*:1] Cc1ccccc1CN(C)C(=O)c1ccccc1CS[*:1]
Cc1sc(=O)n([C@H](C)[C@@H](C)O)c1C C[C@@H](O)[*:1] Cc1sc(=O)n(c1C)[C@H](C)[*:1]
O=C(COc1cccc([N+](=O)[O-])c1)N1CCOc2ccc(F)cc21 O=[N+]([O-])[*:1] O=C(COc1cccc(c1)[*:1])N1CCOc2ccc(F)cc21
CCC[C@H]1CN(C(=O)Nc2ccc3ccn(C)c3c2)CCO1 CCC[*:1] Cn1ccc2ccc(cc21)NC(=O)N1CCO[C@H](C1)[*:1]
CCNC(=O)c1cccc(NC(=O)N2CCC[C@H](C)[C@H]2CO)c1 CCNC(=O)[*:1] C[C@H]1CCCN(C(=O)Nc2cccc(c2)[*:1])[C@@H]1CO
Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cnn(CC(C)C)c1 CC(C)[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cnn(c1)C[*:1]
Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cnn(CC(C)C)c1 CC(C)C[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cnn(c1)[*:1]
Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cnn(CC(C)C)c1 Cc1ccccc1[*:1] CC(C)Cn1cc(cn1)NC(=O)[C@@H]1C[C@@H]1[*:1]
O=C(/C=C/c1cccc(C(F)(F)F)c1)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] O=C(/C=C/c1cccc(c1)C(F)(F)F)N[*:1]
O=C(/C=C/c1cccc(C(F)(F)F)c1)NC1CCC(O)CC1 FC(F)(F)[*:1] O=C(/C=C/c1cccc(c1)[*:1])NC1CCC(O)CC1
CCC1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 CCC1(CC1)[*:1] O=C(NCCc1ccccc1[N+](=O)[O-])NC[*:1]
CCC1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCC1(CC1)CNC(=O)NCCc1ccccc1[*:1]
CCC1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 CCC1(CC1)C[*:1] O=C(NCCc1ccccc1[N+](=O)[O-])N[*:1]
CO[C@H](C)c1noc(C[C@](C)(C(=O)[O-])c2ccccc2)n1 O=C([O-])[*:1] CO[C@H](C)c1noc(C[C@](C)(c2ccccc2)[*:1])n1
CO[C@H](C)c1noc(C[C@](C)(C(=O)[O-])c2ccccc2)n1 CO[C@H](C)[*:1] C[C@@](Cc1nc(no1)[*:1])(C(=O)[O-])c1ccccc1
CO[C@H](C)c1noc(C[C@](C)(C(=O)[O-])c2ccccc2)n1 c1ccc(cc1)[*:1] CO[C@H](C)c1noc(C[C@](C)(C(=O)[O-])[*:1])n1
COc1cccc(NC(=O)CS(=O)(=O)Cc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)NC(=O)CS(=O)(=O)C[*:1]
CC(C)Cc1ccc([C@H](C)[NH2+]Cc2ccc([O-])c[nH+]2)cc1 CC(C)[*:1] C[C@H]([NH2+]Cc1ccc([O-])c[nH+]1)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@H](C)[NH2+]Cc2ccc([O-])c[nH+]2)cc1 CC(C)C[*:1] C[C@H]([NH2+]Cc1ccc([O-])c[nH+]1)c1ccc(cc1)[*:1]
Cc1cc(C)cc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)c1 CC(C)(C)[*:1] Cc1cc(C)cc(c1)NC(=O)CNc1ccc(cc1)C(=O)N[*:1]
Cc1cc(C)cc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)c1 Cc1cc(C)cc(c1)[*:1] CC(C)(C)NC(=O)c1ccc(cc1)NCC(=O)N[*:1]
Cc1cc(C)cc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)c1 CC(C)(C)NC(=O)[*:1] Cc1cc(C)cc(c1)NC(=O)CNc1ccc(cc1)[*:1]
CCn1cnc(S(=O)(=O)NC2CC(Cl)C2)c1 ClC1CC(C1)[*:1] CCn1cnc(c1)S(=O)(=O)N[*:1]
COC(=O)N1CCC[C@H](Nc2cc(Br)cc(F)c2C(N)=O)C1 NC(=O)[*:1] COC(=O)N1CCC[C@@H](C1)Nc1cc(Br)cc(F)c1[*:1]
Cc1nn(C)cc1CN(Cc1ccccc1)C[C@@H](O)c1ccsc1 Cc1nn(C)cc1C[*:1] O[C@H](CN(Cc1ccccc1)[*:1])c1ccsc1
Cc1nn(C)cc1CN(Cc1ccccc1)C[C@@H](O)c1ccsc1 c1ccc(cc1)C[*:1] Cc1nn(C)cc1CN(C[C@@H](O)c1ccsc1)[*:1]
Cc1nn(C)cc1CN(Cc1ccccc1)C[C@@H](O)c1ccsc1 Cc1nn(C)cc1[*:1] O[C@H](CN(Cc1ccccc1)C[*:1])c1ccsc1
Cc1nn(C)cc1CN(Cc1ccccc1)C[C@@H](O)c1ccsc1 c1cc(cs1)[*:1] Cc1nn(C)cc1CN(Cc1ccccc1)C[C@@H](O)[*:1]
Cc1nn(C)cc1CN(Cc1ccccc1)C[C@@H](O)c1ccsc1 c1ccc(cc1)[*:1] Cc1nn(C)cc1CN(C[C@@H](O)c1ccsc1)C[*:1]
CC[NH+](CC)[C@@H](C(=O)[O-])c1cccc(C2CC2)c1 C1CC1[*:1] CC[NH+](CC)[C@@H](C(=O)[O-])c1cccc(c1)[*:1]
CC[NH+](CC)[C@@H](C(=O)[O-])c1cccc(C2CC2)c1 O=C([O-])[*:1] CC[NH+](CC)[C@@H](c1cccc(c1)C1CC1)[*:1]
O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccnc1 FC(F)(F)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)[*:1])c1cccnc1
O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)(F)F)[*:1]
Cc1nc2cc(NC(=O)C(=O)NCc3ccco3)ccc2o1 c1coc(c1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NC[*:1]
Cc1nc2cc(NC(=O)C(=O)NCc3ccco3)ccc2o1 c1coc(c1)C[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[*:1]
O=C(NCCc1ccc(F)cc1)Nc1ccc(-c2ccccc2)nn1 Fc1ccc(cc1)C[*:1] O=C(NC[*:1])Nc1ccc(nn1)-c1ccccc1
O=C(NCCc1ccc(F)cc1)Nc1ccc(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(NCCc1ccc(F)cc1)Nc1ccc(nn1)[*:1]
O=C(NCCc1ccc(F)cc1)Nc1ccc(-c2ccccc2)nn1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])Nc1ccc(nn1)-c1ccccc1
COc1ccc(C[NH2+]Cc2ncn(C)n2)cc1F Cn1cnc(n1)[*:1] COc1ccc(cc1F)C[NH2+]C[*:1]
CC(C)COC[C@H](C)NC(=O)NNc1cccc(F)c1F CC(C)COC[*:1] C[C@H](NC(=O)NNc1cccc(F)c1F)[*:1]
CC(C)COC[C@H](C)NC(=O)NNc1cccc(F)c1F CC(C)[*:1] C[C@@H](COC[*:1])NC(=O)NNc1cccc(F)c1F
CC(C)COC[C@H](C)NC(=O)NNc1cccc(F)c1F CC(C)CO[*:1] C[C@@H](C[*:1])NC(=O)NNc1cccc(F)c1F
CC(C)COC[C@H](C)NC(=O)NNc1cccc(F)c1F CC(C)C[*:1] C[C@@H](CO[*:1])NC(=O)NNc1cccc(F)c1F
CCCN(CCO)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CCCN(CCO)C(=O)N[C@@H]1C[C@H](C)N(C1)[*:1]
CCCN(CCO)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 OCC[*:1] CCCN(C(=O)N[C@@H]1C[C@H](C)N(C1)c1ccccc1)[*:1]
CCCN(CCO)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 CCC[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)N(CCO)[*:1]
COc1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OCC(N)=O)CO[C@H]23)cc1 NC(=O)C[*:1] COc1ccc(cc1)NC(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[*:1]
COc1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OCC(N)=O)CO[C@H]23)cc1 COc1ccc(cc1)[*:1] NC(=O)CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)N[*:1]
COc1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OCC(N)=O)CO[C@H]23)cc1 NC(=O)[*:1] COc1ccc(cc1)NC(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC[*:1]
COc1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OCC(N)=O)CO[C@H]23)cc1 NC(=O)CO[*:1] COc1ccc(cc1)NC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2[*:1]
COC(=O)[C@H](NC(=O)[C@H](C)c1ccsc1)c1ccc(F)cc1F C[C@H](c1ccsc1)[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(F)cc1F
COC(=O)[C@H](NC(=O)[C@H](C)c1ccsc1)c1ccc(F)cc1F c1cc(cs1)[*:1] COC(=O)[C@H](NC(=O)[C@H](C)[*:1])c1ccc(F)cc1F
COC(=O)[C@H](NC(=O)[C@H](C)c1ccsc1)c1ccc(F)cc1F COC(=O)[*:1] C[C@@H](C(=O)N[C@H](c1ccc(F)cc1F)[*:1])c1ccsc1
O=C(CN1CCc2ccc(Cl)cc2C1)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CN1CCc2ccc(Cl)cc2C1)Nc1ccccc1[*:1]
C[C@H](NC(=O)CCn1cnc(C2CCC2)cc1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CCn1cnc(cc1=O)C1CCC1)[*:1]
C[C@H](NC(=O)CCn1cnc(C2CCC2)cc1=O)c1ccccc1 C1CC(C1)[*:1] C[C@H](NC(=O)CCn1cnc(cc1=O)[*:1])c1ccccc1
C[C@H](NC(=O)CCn1cnc(C2CCC2)cc1=O)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CCn1cnc(cc1=O)C1CCC1)N[*:1]
COCCN/C(CC12CC3CC(CC(C3)C1)C2)=[NH+]\N COCC[*:1] N/[NH+]=C(/CC12CC3CC(CC(C3)C1)C2)N[*:1]
COCCN/C(CC12CC3CC(CC(C3)C1)C2)=[NH+]\N COC[*:1] N/[NH+]=C(/CC12CC3CC(CC(C3)C1)C2)NC[*:1]
CN(C[C@@H]1CCOC1)C(=O)Nc1ccc(-c2csnn2)cc1 c1snnc1[*:1] CN(C[C@@H]1CCOC1)C(=O)Nc1ccc(cc1)[*:1]
CN(C[C@@H]1CCOC1)C(=O)Nc1ccc(-c2csnn2)cc1 C1C[C@H](CO1)[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)-c1csnn1
C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)c2C#N)C1 C1CO[C@@H](C1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CSc1nnc(-c3cccs3)n1C[*:1])c2C#N
C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)c2C#N)C1 C1CO[C@@H](C1)C[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CSc1nnc(-c3cccs3)n1[*:1])c2C#N
C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)c2C#N)C1 c1csc(c1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CSc1nnc(n1C[C@@H]1CCCO1)[*:1])c2C#N
NC(=O)COc1cccc(CNC(=O)Cc2cc3ccccc3[nH]c2=O)c1 NC(=O)CO[*:1] O=C(Cc1cc2ccccc2[nH]c1=O)NCc1cccc(c1)[*:1]
NC(=O)COc1cccc(CNC(=O)Cc2cc3ccccc3[nH]c2=O)c1 NC(=O)C[*:1] O=C(Cc1cc2ccccc2[nH]c1=O)NCc1cccc(c1)O[*:1]
NC(=O)COc1cccc(CNC(=O)Cc2cc3ccccc3[nH]c2=O)c1 NC(=O)[*:1] O=C(Cc1cc2ccccc2[nH]c1=O)NCc1cccc(c1)OC[*:1]
COc1ccccc1-c1csc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 O=[N+]([O-])[*:1] COc1ccccc1-c1csc(n1)NC(=O)c1cc(cc(c1C)[*:1])[N+](=O)[O-]
COc1ccccc1-c1csc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 COc1ccccc1[*:1] Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Nc1nc(cs1)[*:1]
COc1ccccc1-c1csc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 O=[N+]([O-])[*:1] COc1ccccc1-c1csc(n1)NC(=O)c1cc(cc(c1C)[N+](=O)[O-])[*:1]
COc1cc(Br)c(/C=C(/C#N)C(=O)NC2CCCCCC2)cc1OC C1CCCC(CC1)[*:1] COc1cc(Br)c(/C=C(/C#N)C(=O)N[*:1])cc1OC
CC(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)C)cc1 CC(=O)[*:1] CC(C)c1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1Cc1cccnc1)[*:1]
CC(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CC(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(cc1)[*:1]
CC(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)C)cc1 c1cncc(c1)[*:1] CC(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(cc1)C(C)C
CC(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)C)cc1 c1cncc(c1)C[*:1] CC(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(cc1)C(C)C)[*:1]
O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NCc1cccs1 O=C(NCc1cccs1)[*:1] O=C(c1ccccc1F)c1cn(C[*:1])c2ccccc12
O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NCc1cccs1 O=C(c1ccccc1F)[*:1] O=C(Cn1cc(c2ccccc21)[*:1])NCc1cccs1
O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NCc1cccs1 c1csc(c1)C[*:1] O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)N[*:1]
O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NCc1cccs1 c1csc(c1)[*:1] O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NC[*:1]
O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NCc1cccs1 Fc1ccccc1[*:1] O=C(Cn1cc(C(=O)[*:1])c2ccccc21)NCc1cccs1
CC(C)(C)c1ccc(OCCCC(=O)n2ncc(C#N)c2N)cc1 CC(C)(C)[*:1] N#Cc1cnn(C(=O)CCCOc2ccc(cc2)[*:1])c1N
COc1cccc(N2CCN(C(=O)Cn3nc(-n4cccc4)c4c(C)cc(C)nc43)CC2)c1 COc1cccc(c1)[*:1] Cc1cc(C)c2c(nn(CC(=O)N3CCN(CC3)[*:1])c2n1)-n1cccc1
COc1cccc(N2CCN(C(=O)Cn3nc(-n4cccc4)c4c(C)cc(C)nc43)CC2)c1 c1ccn(c1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)Cn1nc(c2c(C)cc(C)nc21)[*:1]
Cc1ccc(C)c(OC[C@H](O)Cn2cnc3ncccc3c2=O)c1 Cc1ccc(C)c(c1)[*:1] O=c1c2cccnc2ncn1C[C@@H](O)CO[*:1]
CN(c1[nH+]cccc1CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCCCC1 CN(C1CCCCC1)[*:1] O=C(NCc1ccc[nH+]c1[*:1])c1cc(=O)[nH]c(=O)[nH]1
CN(c1[nH+]cccc1CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCCCC1 O=c1cc([nH]c(=O)[nH]1)[*:1] CN(c1[nH+]cccc1CNC(=O)[*:1])C1CCCCC1
CN(c1[nH+]cccc1CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCCCC1 C1CCC(CC1)[*:1] CN(c1[nH+]cccc1CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)[*:1]
CC(=O)c1cccn1Cc1cccc(F)c1F CC(=O)[*:1] Fc1cccc(Cn2cccc2[*:1])c1F
CC[C@H](NC(=O)CC1=C(C)N=N[C@H]1C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@H](NC(=O)CC1=C(C)N=N[C@H]1C)[*:1]
CCOc1c(Cl)cccc1NC(=O)NCCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] CCOc1c(Cl)cccc1NC(=O)NCC[*:1]
CCOc1c(Cl)cccc1NC(=O)NCCc1nnc2n1CCC2 CCO[*:1] O=C(NCCc1nnc2CCCn21)Nc1cccc(Cl)c1[*:1]
CC1(C)CCCN(c2cncc(C(=O)[O-])n2)CC1 O=C([O-])[*:1] CC1(C)CCCN(CC1)c1cncc(n1)[*:1]
Cc1cccc2c(N3CCCC3)ncnc12 C1CCN(C1)[*:1] Cc1cccc2c(ncnc12)[*:1]
C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)NC[*:1]
C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)N[*:1]
NC(=O)CSc1nc(Cl)cc2ccccc12 NC(=O)[*:1] Clc1cc2ccccc2c(n1)SC[*:1]
NC(=O)CSc1nc(Cl)cc2ccccc12 NC(=O)C[*:1] Clc1cc2ccccc2c(n1)S[*:1]
NC(=O)CSc1nc(Cl)cc2ccccc12 NC(=O)CS[*:1] Clc1cc2ccccc2c(n1)[*:1]
NC(=O)CCCCNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 NC(=O)CCCC[*:1] O=C(N[*:1])[C@H]1C[C@@]12CCCc1ccccc12
NC(=O)CCCCNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 NC(=O)[*:1] O=C(NCCCC[*:1])[C@H]1C[C@@]12CCCc1ccccc12
NC(=O)CCCCNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 NC(=O)CCC[*:1] O=C(NC[*:1])[C@H]1C[C@@]12CCCc1ccccc12
NC(=O)CCCCNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 NC(=O)CC[*:1] O=C(NCC[*:1])[C@H]1C[C@@]12CCCc1ccccc12
NC(=O)CCCCNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 NC(=O)C[*:1] O=C(NCCC[*:1])[C@H]1C[C@@]12CCCc1ccccc12
CCCn1c(C[C@](C)(O)C[NH2+]C)nc2ccccc21 CCC[*:1] C[NH2+]C[C@@](C)(O)Cc1nc2ccccc2n1[*:1]
C1=C[C@H]([C@@H]2Nn3c(nnc3-c3ccccc3)S2)N=N1 c1ccc(cc1)[*:1] C1=C[C@@H](N=N1)[C@@H]1Nn2c(nnc2[*:1])S1
COc1cc2c(cc1OC)[C@@H](CCO)[NH2+]CC2 OCC[*:1] COc1cc2CC[NH2+][C@H](c2cc1OC)[*:1]
Cc1ccc(C)c(NC(=O)COC(=O)c2ccccc2O)c1 Oc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)COC(=O)[*:1]
Cc1nc([C@H](NC(=O)c2ccoc2C)c2ccc(Cl)cc2)no1 Cc1occc1[*:1] Cc1nc(no1)[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
Cc1nc([C@H](NC(=O)c2ccoc2C)c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1nc(no1)[C@H](NC(=O)c1ccoc1C)[*:1]
Cc1nc([C@H](NC(=O)c2ccoc2C)c2ccc(Cl)cc2)no1 Cc1nc(no1)[*:1] Cc1occc1C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CCc1cnc(CN(C)C(=O)c2ccc(SC(F)F)cc2)s1 CCc1cnc(s1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)SC(F)F
CCc1cnc(CN(C)C(=O)c2ccc(SC(F)F)cc2)s1 FC(F)S[*:1] CCc1cnc(CN(C)C(=O)c2ccc(cc2)[*:1])s1
CCc1cnc(CN(C)C(=O)c2ccc(SC(F)F)cc2)s1 FC(F)[*:1] CCc1cnc(CN(C)C(=O)c2ccc(cc2)S[*:1])s1
Cc1cccc(C(C)(C)NC(=O)NCCc2cccc(C(N)=O)c2)c1 Cc1cccc(c1)[*:1] CC(C)(NC(=O)NCCc1cccc(c1)C(N)=O)[*:1]
Cc1cccc(C(C)(C)NC(=O)NCCc2cccc(C(N)=O)c2)c1 NC(=O)[*:1] Cc1cccc(c1)C(C)(C)NC(=O)NCCc1cccc(c1)[*:1]
CN(C)C(=O)Sc1cccc(CNC(C)(C)C(=O)N(C)C)c1 CN(C)C(=O)S[*:1] CN(C)C(=O)C(C)(C)NCc1cccc(c1)[*:1]
CN(C)C(=O)Sc1cccc(CNC(C)(C)C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CN(C)C(=O)Sc1cccc(c1)CNC(C)(C)[*:1]
CC[C@H](NC(=O)c1ccccc1F)C(=O)N1CCOCC1 Fc1ccccc1[*:1] CC[C@H](NC(=O)[*:1])C(=O)N1CCOCC1
C[C@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)C1CCCCC1 c1cc(ccn1)[*:1] C[C@H]([NH2+]C1CCN(CC1)[C@H](C)[*:1])C1CCCCC1
C[C@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H]([NH2+]C1CCN(CC1)[C@H](C)c1ccncc1)[*:1]
Cc1cnc(C(C)(C)NC(=O)c2ccc3[nH]c(=S)oc3c2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)c1ccc2[nH]c(=S)oc2c1)[*:1]
COc1ccc2c(c1)C=C(C(=O)Nc1cccc(-n3cnnc3)c1)CO2 c1nncn1[*:1] COc1ccc2OCC(=Cc2c1)C(=O)Nc1cccc(c1)[*:1]
COc1cc(OC)cc(N2CC[C@@H](C(=O)NCCc3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] COc1cc(cc(c1)N1CC[C@@H](C(=O)NC[*:1])C1=O)OC
COc1cc(OC)cc(N2CC[C@@H](C(=O)NCCc3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)N1CC[C@@H](C(=O)NCC[*:1])C1=O)OC
COc1cc(OC)cc(N2CC[C@@H](C(=O)NCCc3ccccc3)C2=O)c1 c1ccc(cc1)CC[*:1] COc1cc(cc(c1)N1CC[C@@H](C(=O)N[*:1])C1=O)OC
Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(Cn2ccnc2)cc1 c1cn(cn1)[*:1] Cc1ccc(cc1C(=O)NCc1ccc(cc1)C[*:1])S(N)(=O)=O
Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(Cn2ccnc2)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)NCc1ccc(cc1)Cn1ccnc1)[*:1]
Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(Cn2ccnc2)cc1 c1cn(cn1)C[*:1] Cc1ccc(cc1C(=O)NCc1ccc(cc1)[*:1])S(N)(=O)=O
Cc1c(C(=O)COc2ccc(F)cc2)c([O-])n(C(C)C)c(=O)c1C#N Fc1ccc(cc1)[*:1] Cc1c(C(=O)CO[*:1])c([O-])n(c(=O)c1C#N)C(C)C
Cc1c(C(=O)COc2ccc(F)cc2)c([O-])n(C(C)C)c(=O)c1C#N CC(C)[*:1] Cc1c(C(=O)COc2ccc(F)cc2)c([O-])n(c(=O)c1C#N)[*:1]
Cc1c(C(=O)COc2ccc(F)cc2)c([O-])n(C(C)C)c(=O)c1C#N Fc1ccc(cc1)O[*:1] Cc1c(C(=O)C[*:1])c([O-])n(c(=O)c1C#N)C(C)C
COCCSc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 COCCS[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccccc1[*:1]
COCCSc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 COC[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccccc1SC[*:1]
COCCSc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 COCC[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccccc1S[*:1]
CCc1c(Cl)nc(C)nc1N1CC[C@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)[*:1] CCc1c(Cl)nc(C)nc1N1CC[C@@H](C1)C[*:1]
CCc1c(Cl)nc(C)nc1N1CC[C@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)C[*:1] CCc1c(Cl)nc(C)nc1N1CC[C@H](C1)[*:1]
COc1ccc(/C=N/NC(=O)CNC(=O)c2ccncc2)cc1I c1cc(ccn1)[*:1] COc1ccc(/C=N/NC(=O)CNC(=O)[*:1])cc1I
CN(CCc1cccs1)C(=O)c1cccn1CC(=O)[O-] O=C([O-])[*:1] CN(CCc1cccs1)C(=O)c1cccn1C[*:1]
CN(CCc1cccs1)C(=O)c1cccn1CC(=O)[O-] c1csc(c1)[*:1] CN(CC[*:1])C(=O)c1cccn1CC(=O)[O-]
CN(CCc1cccs1)C(=O)c1cccn1CC(=O)[O-] O=C([O-])C[*:1] CN(CCc1cccs1)C(=O)c1cccn1[*:1]
CN(CCc1cccs1)C(=O)c1cccn1CC(=O)[O-] c1csc(c1)C[*:1] CN(C[*:1])C(=O)c1cccn1CC(=O)[O-]
CC[C@H](CCO)C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 CC[C@H](CCO)[*:1] Fc1ccc2O[C@H](C[NH2+]C[*:1])Cc2c1
CC[C@H](CCO)C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 OCC[*:1] CC[C@H](C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1)[*:1]
O=C1N=C(CCl)N=C2SCC(c3ccco3)=C12 c1coc(c1)[*:1] O=C1N=C(CCl)N=C2SCC(=C12)[*:1]
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3nnnn32)ccc1OCc1ccccc1C Cc1ccccc1[*:1] COc1cc(ccc1OC[*:1])[C@@H]1C2C(=O)CCCC=2Nc2nnnn21
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3nnnn32)ccc1OCc1ccccc1C Cc1ccccc1C[*:1] COc1cc(ccc1O[*:1])[C@@H]1C2C(=O)CCCC=2Nc2nnnn21
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3nnnn32)ccc1OCc1ccccc1C Cc1ccccc1CO[*:1] COc1cc(ccc1[*:1])[C@@H]1C2C(=O)CCCC=2Nc2nnnn21
CC(C)NC(=O)CC[NH2+]Cc1cnn(C(C)(C)C)c1 CC(C)[*:1] CC(C)(C)n1cc(cn1)C[NH2+]CCC(=O)N[*:1]
CC(C)NC(=O)CC[NH2+]Cc1cnn(C(C)(C)C)c1 CC(C)NC(=O)[*:1] CC(C)(C)n1cc(cn1)C[NH2+]CC[*:1]
CC(C)NC(=O)CC[NH2+]Cc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] CC(C)NC(=O)CC[NH2+]Cc1cnn(c1)[*:1]
CO[C@H]1CCCC[C@@H]1[NH2+]C1COC1 C1OCC1[*:1] CO[C@H]1CCCC[C@@H]1[NH2+][*:1]
CCc1ccc([C@H](COC)NC(=O)Nc2ncnn2C)o1 Cn1ncnc1[*:1] CCc1ccc(o1)[C@H](COC)NC(=O)N[*:1]
CCc1ccc([C@H](COC)NC(=O)Nc2ncnn2C)o1 COC[*:1] CCc1ccc(o1)[C@H](NC(=O)Nc1ncnn1C)[*:1]
CCc1ccc([C@H](COC)NC(=O)Nc2ncnn2C)o1 CCc1ccc(o1)[*:1] COC[C@H](NC(=O)Nc1ncnn1C)[*:1]
CC(C)NC(=O)CCN1CCN(C(=O)c2cccc(F)c2)CC1 CC(C)NC(=O)C[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)C[*:1]
CC(C)NC(=O)CCN1CCN(C(=O)c2cccc(F)c2)CC1 CC(C)[*:1] O=C(CCN1CCN(CC1)C(=O)c1cccc(F)c1)N[*:1]
CC(C)NC(=O)CCN1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)NC(=O)CCN1CCN(CC1)C(=O)[*:1]
CC(C)NC(=O)CCN1CCN(C(=O)c2cccc(F)c2)CC1 CC(C)NC(=O)[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)CC[*:1]
CC/[NH+]=C(/NC[C@@H](C1CC1)[NH+](C)C)N1CCC(C)CC1 C1CC1[*:1] CC/[NH+]=C(/NC[C@@H]([NH+](C)C)[*:1])N1CCC(C)CC1
Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O Fc1ccc(cc1Cl)[*:1] Cn1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)N1CCOC[C@@H]1C C[C@H]1COCCN1[*:1] C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)[*:1]
C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)N1CCOC[C@@H]1C C1CC1[*:1] C[C@@H](CNC(=O)N([C@@H]1CCCc2ccccc21)[*:1])N1CCOC[C@@H]1C
Cc1cc(C(=O)N2[C@@H](C(=O)[O-])C[C@H]3CCCC[C@H]32)c(C)s1 O=C([O-])[*:1] Cc1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2[*:1])c(C)s1
Cc1cc(C(=O)N2[C@@H](C(=O)[O-])C[C@H]3CCCC[C@H]32)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C([O-])[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccc(OC)c(C)c1 COC(=O)[*:1] COc1ccc(cc1C)NC(=O)N[C@@H]1CCCCC[C@H]1[*:1]
Cc1cccc(C2=CCN(C(=O)N[C@@H](C)CO[C@@H]3CCOC3)CC2)c1 C1C[C@H](CO1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)N[C@@H](C)CO[*:1]
Cc1cccc(C2=CCN(C(=O)N[C@@H](C)CO[C@@H]3CCOC3)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H](CO[C@@H]1CCOC1)NC(=O)N1CC=C(CC1)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1cnn(CC(C)C)c1C CC(C)C[*:1] C=CCS(=O)(=O)/N=C(\[O-])c1cnn(c1C)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1cnn(CC(C)C)c1C CC(C)[*:1] C=CCS(=O)(=O)/N=C(\[O-])c1cnn(C[*:1])c1C
C=CCS(=O)(=O)/N=C(\[O-])c1cnn(CC(C)C)c1C C=CC[*:1] Cc1c(cnn1CC(C)C)/C([O-])=N/S(=O)(=O)[*:1]
Cc1cc(NC2=C(C#N)[C@@H](NS(=O)(=O)c3ccc(F)cc3)N=N2)ccc1F Fc1ccc(cc1)[*:1] Cc1cc(ccc1F)NC1N=N[C@H](NS(=O)(=O)[*:1])C=1C#N
Cc1cc(NC2=C(C#N)[C@@H](NS(=O)(=O)c3ccc(F)cc3)N=N2)ccc1F Cc1cc(ccc1F)N[*:1] N#CC1=C(N=N[C@@H]1NS(=O)(=O)c1ccc(F)cc1)[*:1]
Cc1cc(NC2=C(C#N)[C@@H](NS(=O)(=O)c3ccc(F)cc3)N=N2)ccc1F Cc1cc(ccc1F)[*:1] N#CC1=C(N=N[C@@H]1NS(=O)(=O)c1ccc(F)cc1)N[*:1]
CS(=O)(=O)c1ccc(N[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 CS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1N[C@H]1CCOc2ccccc21)[*:1]
CS(=O)(=O)c1ccc(N[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc(N[C@H]2CCOc3ccccc32)c(c1)[*:1]
CCN1CCO[C@@H](c2noc(C(C)=O)n2)C1 CC(=O)[*:1] CCN1CCO[C@H](C1)c1noc(n1)[*:1]
CC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@H]1CCCN(C1)S(C)(=O)=O
CC[C@@](C)([C@@H]([NH3+])C1CCCC1)N1CCOCC1 C1CCC(C1)[*:1] CC[C@@](C)([C@@H]([NH3+])[*:1])N1CCOCC1
COC(=O)c1sc(C(=O)OC)c2c1OCCO2 COC(=O)[*:1] COC(=O)c1sc(c2OCCOc12)[*:1]
Cc1ccccc1CN(Cc1cccnc1)C(=S)Nc1cccc(Cl)c1Cl Cc1ccccc1C[*:1] S=C(Nc1cccc(Cl)c1Cl)N(Cc1cccnc1)[*:1]
Cc1ccccc1CN(Cc1cccnc1)C(=S)Nc1cccc(Cl)c1Cl c1cncc(c1)[*:1] Cc1ccccc1CN(C[*:1])C(=S)Nc1cccc(Cl)c1Cl
Cc1ccccc1CN(Cc1cccnc1)C(=S)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] Cc1ccccc1CN(Cc1cccnc1)C(=S)N[*:1]
Cc1ccccc1CN(Cc1cccnc1)C(=S)Nc1cccc(Cl)c1Cl c1cncc(c1)C[*:1] Cc1ccccc1CN(C(=S)Nc1cccc(Cl)c1Cl)[*:1]
Cc1ccccc1CN(Cc1cccnc1)C(=S)Nc1cccc(Cl)c1Cl Cc1ccccc1[*:1] S=C(Nc1cccc(Cl)c1Cl)N(Cc1cccnc1)C[*:1]
COC(=O)Cn1/c(=N/C(=O)C(C)(C)C)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] COC(=O)Cn1/c(=N/C(=O)C(C)(C)C)sc2cc(ccc21)[*:1]
COC(=O)Cn1/c(=N/C(=O)C(C)(C)C)sc2cc(S(N)(=O)=O)ccc21 COC(=O)C[*:1] CC(C)(C)C(=O)/N=c1\sc2cc(ccc2n1[*:1])S(N)(=O)=O
COC(=O)Cn1/c(=N/C(=O)C(C)(C)C)sc2cc(S(N)(=O)=O)ccc21 CC(C)(C)[*:1] COC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(N)(=O)=O
COC(=O)Cn1/c(=N/C(=O)C(C)(C)C)sc2cc(S(N)(=O)=O)ccc21 COC(=O)[*:1] CC(C)(C)C(=O)/N=c1\sc2cc(ccc2n1C[*:1])S(N)(=O)=O
O=[N+]([O-])c1ccc(-c2nc(=S)c3c(n2-c2ccccc2)CCCC3)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(=S)c2CCCCc2n1[*:1]
O=[N+]([O-])c1ccc(-c2nc(=S)c3c(n2-c2ccccc2)CCCC3)cc1 O=[N+]([O-])[*:1] S=c1nc(-c2ccc(cc2)[*:1])n(-c2ccccc2)c2CCCCc21
O=C(C=C1CCSCC1)N[C@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(C=C1CCSCC1)N[C@H]1CCN(C1)[*:1]
COC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 COC(=O)[*:1] O=c1c2c(csc2nc(SC[*:1])n1-c1ccccc1)-c1ccco1
COC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 COC(=O)C[*:1] O=c1c2c(csc2nc(S[*:1])n1-c1ccccc1)-c1ccco1
COC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 c1coc(c1)[*:1] COC(=O)CSc1nc2scc(c2c(=O)n1-c1ccccc1)[*:1]
COC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 COC(=O)CS[*:1] O=c1c2c(csc2nc(n1-c1ccccc1)[*:1])-c1ccco1
COC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] COC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1[*:1]
COc1cccc([C@@H](CNS(=O)(=O)c2cccc(Cl)c2)[NH+]2CCCC2)c1 Clc1cccc(c1)[*:1] COc1cccc(c1)[C@@H](CNS(=O)(=O)[*:1])[NH+]1CCCC1
COc1cccc([C@@H](CNS(=O)(=O)c2cccc(Cl)c2)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] O=S(=O)(NC[C@@H]([NH+]1CCCC1)[*:1])c1cccc(Cl)c1
CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCO[C@]2(CCSC2)C1 CC(C)[*:1] c1cc2c(OCCC[C@@H]2[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(c1)[*:1]
CCCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)c2cccs2)C1 C[C@H](c1cccs1)[*:1] CCCC(=O)N[C@H]1CCCN(C1)C(=O)[*:1]
CCCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)c2cccs2)C1 CCC[*:1] C[C@@H](C(=O)N1CCC[C@@H](C1)NC(=O)[*:1])c1cccs1
CCCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)c2cccs2)C1 c1csc(c1)[*:1] CCCC(=O)N[C@H]1CCCN(C1)C(=O)[C@H](C)[*:1]
CCCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)c2cccs2)C1 CCCC(=O)N[*:1] C[C@@H](C(=O)N1CCC[C@@H](C1)[*:1])c1cccs1
Cc1cccc(OC[C@H](C)NC(=O)C(=O)Nc2cccnc2Cl)c1 Clc1ncccc1[*:1] Cc1cccc(c1)OC[C@H](C)NC(=O)C(=O)N[*:1]
Cc1cccc(OC[C@H](C)NC(=O)C(=O)Nc2cccnc2Cl)c1 Cc1cccc(c1)O[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1cccnc1Cl
Cc1cccc(OC[C@H](C)NC(=O)C(=O)Nc2cccnc2Cl)c1 Cc1cccc(c1)[*:1] C[C@@H](CO[*:1])NC(=O)C(=O)Nc1cccnc1Cl
CC1(C)CC[C@H](CNC(=O)CCc2nc(-c3ccoc3)no2)c2ccccc21 c1cc(co1)[*:1] CC1(C)CC[C@H](CNC(=O)CCc2nc(no2)[*:1])c2ccccc21
Cc1cccc(OC[C@@H](C)NC(=O)c2ccncc2Cl)c1 Cc1cccc(c1)[*:1] C[C@H](CO[*:1])NC(=O)c1ccncc1Cl
Cc1cccc(OC[C@@H](C)NC(=O)c2ccncc2Cl)c1 Clc1cnccc1[*:1] Cc1cccc(c1)OC[C@@H](C)NC(=O)[*:1]
COCCCN1C[C@@]2(CCCN(c3cccc(C(C)C)[nH+]3)C2)CCC1=O COCC[*:1] CC(C)c1cccc([nH+]1)N1CCC[C@]2(CCC(=O)N(C2)C[*:1])C1
COCCCN1C[C@@]2(CCCN(c3cccc(C(C)C)[nH+]3)C2)CCC1=O CC(C)[*:1] COCCCN1C[C@@]2(CCCN(C2)c2cccc([nH+]2)[*:1])CCC1=O
COCCCN1C[C@@]2(CCCN(c3cccc(C(C)C)[nH+]3)C2)CCC1=O COC[*:1] CC(C)c1cccc([nH+]1)N1CCC[C@]2(CCC(=O)N(CC[*:1])C2)C1
COCCCN1C[C@@]2(CCCN(c3cccc(C(C)C)[nH+]3)C2)CCC1=O COCCC[*:1] CC(C)c1cccc([nH+]1)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
CCn1c(COC(=O)C2C3CC4CC(C3)CC2C4)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 O=S(=O)(N1CCOCC1)[*:1] CCn1c(COC(=O)C2C3CC4CC(C3)CC2C4)nc2cc(ccc21)[*:1]
O=C(COc1ccccc1F)NCC#CCOc1ccc2cccnc2c1 Fc1ccccc1OC[*:1] O=C(NCC#CCOc1ccc2cccnc2c1)[*:1]
O=C(COc1ccccc1F)NCC#CCOc1ccc2cccnc2c1 Fc1ccccc1[*:1] O=C(CO[*:1])NCC#CCOc1ccc2cccnc2c1
O=C(COc1ccccc1F)NCC#CCOc1ccc2cccnc2c1 Fc1ccccc1O[*:1] O=C(C[*:1])NCC#CCOc1ccc2cccnc2c1
COc1ccccc1CCNC(=O)C1=CN(C)[C@H]2C(=O)N(c3ccccc3)C(=O)N=C12 COc1ccccc1CC[*:1] CN1C=C(C(=O)N[*:1])C2=NC(=O)N(C(=O)[C@@H]21)c1ccccc1
COc1ccccc1CCNC(=O)C1=CN(C)[C@H]2C(=O)N(c3ccccc3)C(=O)N=C12 COc1ccccc1C[*:1] CN1C=C(C(=O)NC[*:1])C2=NC(=O)N(C(=O)[C@@H]21)c1ccccc1
COc1ccccc1CCNC(=O)C1=CN(C)[C@H]2C(=O)N(c3ccccc3)C(=O)N=C12 COc1ccccc1[*:1] CN1C=C(C(=O)NCC[*:1])C2=NC(=O)N(C(=O)[C@@H]21)c1ccccc1
COc1ccccc1CCNC(=O)C1=CN(C)[C@H]2C(=O)N(c3ccccc3)C(=O)N=C12 c1ccc(cc1)[*:1] COc1ccccc1CCNC(=O)C1=CN(C)[C@H]2C(=O)N(C(=O)N=C12)[*:1]
C[NH+]1CCN(C(C)(C)C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 C1CCCN(CC1)[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)NCc1cc[nH+]c(c1)[*:1]
CCOc1cc(CNn2cnnc2)cc(Cl)c1OC c1nncn1N[*:1] CCOc1cc(cc(Cl)c1OC)C[*:1]
CCOc1cc(CNn2cnnc2)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(cc1[*:1])CNn1cnnc1
Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 Cc1ccc(Cl)cc1[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)C(=O)N[*:1])c1ccc(F)cc1
Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 Fc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](N1CC[NH+](C)CC1)[*:1]
COc1ccc(NC(=O)C(=O)NC2CCC(c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC1CCC(CC1)c1ccccc1)C(=O)N[*:1]
COc1ccc(NC(=O)C(=O)NC2CCC(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)C(=O)NC1CCC(CC1)[*:1]
O=c1c2cnc3nc(-c4ccccc4)nn3c2ccn1CCS SCC[*:1] O=c1c2cnc3nc(nn3c2ccn1[*:1])-c1ccccc1
O=c1c2cnc3nc(-c4ccccc4)nn3c2ccn1CCS c1ccc(cc1)[*:1] O=c1c2cnc3nc(nn3c2ccn1CCS)[*:1]
CCOC(=O)c1ccc(C)cc1OCC CCO[*:1] CCOC(=O)c1ccc(C)cc1[*:1]
CCOC(=O)c1ccc(C)cc1OCC CCOC(=O)[*:1] CCOc1cc(C)ccc1[*:1]
COc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N[*:1]
COc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c(OC)c1 CC1CCN(CC1)S(=O)(=O)[*:1] COc1ccc(NC(=O)Cn2c(=O)oc3cc(ccc32)[*:1])c(c1)OC
C[C@H]([NH3+])[C@H](Sc1cc2ccccc2[nH]1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H]([NH3+])[C@H](Sc1cc2ccccc2[nH]1)[*:1]
C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1nc(C2CC2)n2ccccc12 c1ccc(cc1)[*:1] C[C@@H](C[C@@H](O)[*:1])NC(=O)c1nc(C2CC2)n2ccccc12
C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1nc(n2ccccc12)[*:1]
C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1nc(C2CC2)n2ccccc12 O[C@@H](c1ccccc1)[*:1] C[C@@H](C[*:1])NC(=O)c1nc(C2CC2)n2ccccc12
Cn1ccc2c(/C([O-])=N/S(=O)(=O)c3ccc(C#N)cc3)cccc21 N#Cc1ccc(cc1)[*:1] Cn1ccc2c(cccc21)/C([O-])=N/S(=O)(=O)[*:1]
Cc1ccccc1OCCNC(=O)N1CCN(c2ncccc2C#N)CC1 N#Cc1cccnc1[*:1] Cc1ccccc1OCCNC(=O)N1CCN(CC1)[*:1]
Cc1ccccc1OCCNC(=O)N1CCN(c2ncccc2C#N)CC1 Cc1ccccc1[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)NCCO[*:1]
Cc1ccccc1OCCNC(=O)N1CCN(c2ncccc2C#N)CC1 Cc1ccccc1OC[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)NC[*:1]
Cc1ccccc1OCCNC(=O)N1CCN(c2ncccc2C#N)CC1 Cc1ccccc1O[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)NCC[*:1]
CCCC(=O)Nc1cccc(CNC(=O)c2cccc(F)c2Cl)c1 CCC[*:1] O=C(NCc1cccc(c1)NC(=O)[*:1])c1cccc(F)c1Cl
CCCC(=O)Nc1cccc(CNC(=O)c2cccc(F)c2Cl)c1 Fc1cccc(c1Cl)[*:1] CCCC(=O)Nc1cccc(c1)CNC(=O)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)c2cccc(F)c2Cl)c1 CCCC(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])c1cccc(F)c1Cl
CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1[*:1]
CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(F)c1 CCCC[*:1] CC1NC(=O)N[C@H](C=1C(=O)O[*:1])c1cccc(F)c1
CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(F)c1 CCC[*:1] CC1NC(=O)N[C@H](C=1C(=O)OC[*:1])c1cccc(F)c1
CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(F)c1 CCCCOC(=O)[*:1] CC1NC(=O)N[C@H](C=1[*:1])c1cccc(F)c1
C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc(c1)O[*:1]
C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc(c1)[*:1]
CCCN(CC1CC1)c1nc(C(C)C)c(C[NH3+])s1 CCC[*:1] CC(C)c1nc(sc1C[NH3+])N(CC1CC1)[*:1]
CCCN(CC1CC1)c1nc(C(C)C)c(C[NH3+])s1 C1CC1[*:1] CCCN(C[*:1])c1nc(c(C[NH3+])s1)C(C)C
CCCN(CC1CC1)c1nc(C(C)C)c(C[NH3+])s1 C1CC1C[*:1] CCCN(c1nc(c(C[NH3+])s1)C(C)C)[*:1]
CCCN(CC1CC1)c1nc(C(C)C)c(C[NH3+])s1 CC(C)[*:1] CCCN(CC1CC1)c1nc(c(C[NH3+])s1)[*:1]
CCc1nncn1CCNC(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 CCc1nncn1[*:1] Cc1ccc(cc1C)OC1CCN(CC1)C(=O)NCC[*:1]
CCc1nncn1CCNC(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 CCc1nncn1CC[*:1] Cc1ccc(cc1C)OC1CCN(CC1)C(=O)N[*:1]
CCc1nncn1CCNC(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 Cc1ccc(cc1C)O[*:1] CCc1nncn1CCNC(=O)N1CCC(CC1)[*:1]
CCc1nncn1CCNC(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 CCc1nncn1C[*:1] Cc1ccc(cc1C)OC1CCN(CC1)C(=O)NC[*:1]
CCc1nncn1CCNC(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 Cc1ccc(cc1C)[*:1] CCc1nncn1CCNC(=O)N1CCC(CC1)O[*:1]
C[NH+](C)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 FC(F)O[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(c(Cl)c1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1 FC(F)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(O[*:1])c(Cl)c1
C[NH+](Cc1ccccc1F)Cn1nnc2ccccc2c1=O Fc1ccccc1[*:1] C[NH+](Cn1nnc2ccccc2c1=O)C[*:1]
COC(=O)[C@H](C)[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccccc1 c1ncn(n1)[*:1] COC(=O)[C@H](C)[C@@H](NC(=O)[C@@H](C)[*:1])c1ccccc1
COC(=O)[C@H](C)[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccccc1 COC(=O)[*:1] C[C@H](C(=O)N[C@@H](c1ccccc1)[C@@H](C)[*:1])n1cncn1
COC(=O)[C@H](C)[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccccc1 COC(=O)[C@H](C)[*:1] C[C@H](C(=O)N[C@@H](c1ccccc1)[*:1])n1cncn1
COC(=O)[C@H](C)[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)[C@@H](NC(=O)[C@@H](C)n1cncn1)[*:1]
COC(=O)[C@H](C)[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccccc1 C[C@@H](n1cncn1)[*:1] COC(=O)[C@H](C)[C@@H](NC(=O)[*:1])c1ccccc1
COc1ccc(-c2n[nH]cc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)c1c[nH]nc1[*:1]
CC[C@@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1c(C)noc1C Fc1ccccc1CO[*:1] CC[C@@H](NC(=O)N1CCC(CC1)[*:1])c1c(C)noc1C
CC[C@@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1c(C)noc1C Fc1ccccc1[*:1] CC[C@@H](NC(=O)N1CCC(CC1)OC[*:1])c1c(C)noc1C
CC[C@@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H](NC(=O)N1CCC(CC1)OCc1ccccc1F)[*:1]
CC[C@@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1c(C)noc1C Fc1ccccc1C[*:1] CC[C@@H](NC(=O)N1CCC(CC1)O[*:1])c1c(C)noc1C
C[C@@H](CCC1CCCC1)NC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@@H](CCC1CCCC1)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
C[C@@H](CCC1CCCC1)NC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 C1CCC(C1)CC[*:1] C[C@@H](NC(=O)N[C@H](C)c1ccc(cc1)NC(N)=O)[*:1]
C[C@@H](CCC1CCCC1)NC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 C1CCC(C1)C[*:1] C[C@@H](C[*:1])NC(=O)N[C@H](C)c1ccc(cc1)NC(N)=O
C[C@@H](CCC1CCCC1)NC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 C1CCC(C1)[*:1] C[C@@H](CC[*:1])NC(=O)N[C@H](C)c1ccc(cc1)NC(N)=O
Cc1cc(CC(=O)N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)on1 Cc1cc(C[*:1])on1 Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(CC(=O)N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)on1 Cc1cc(on1)[*:1] Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1cc(CC(=O)N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)on1 c1cn(cn1)[*:1] Cc1cc(CC(=O)N2CCC[C@@H](C2)c2nnc(C[*:1])n2C)on1
Cc1cc(CC(=O)N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)on1 c1cn(cn1)C[*:1] Cc1cc(CC(=O)N2CCC[C@@H](C2)c2nnc(n2C)[*:1])on1
N#Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 NS(=O)(=O)[*:1] N#Cc1ccc(cc1)NC(=O)COC(=O)c1ccc(Cl)c(c1)[*:1]
N#Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 N#Cc1ccc(cc1)[*:1] NS(=O)(=O)c1cc(ccc1Cl)C(=O)OCC(=O)N[*:1]
Cc1ccccc1COC1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 CC(C)(C)C(=O)N[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)C[*:1]
Cc1ccccc1COC1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)CNC(=O)[*:1]
Cc1ccccc1COC1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 Cc1ccccc1C[*:1] CC(C)(C)C(=O)NCC(=O)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 Cc1ccccc1[*:1] CC(C)(C)C(=O)NCC(=O)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 CC(C)(C)C(=O)NC[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)[*:1]
CCCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH+]1CCN(Cc3ccccn3)CC1)C2 c1ccc(C[*:1])nc1 CCCn1nc(C(=O)[O-])c2C[C@@H](CCc21)[NH+]1CCN(CC1)[*:1]
CCCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH+]1CCN(Cc3ccccn3)CC1)C2 CCC[*:1] O=C([O-])c1nn(c2CC[C@H](Cc12)[NH+]1CCN(CC1)Cc1ccccn1)[*:1]
CCCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH+]1CCN(Cc3ccccn3)CC1)C2 c1ccc(nc1)[*:1] CCCn1nc(C(=O)[O-])c2C[C@@H](CCc21)[NH+]1CCN(CC1)C[*:1]
CCCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH+]1CCN(Cc3ccccn3)CC1)C2 O=C([O-])[*:1] CCCn1nc(c2C[C@@H](CCc21)[NH+]1CCN(CC1)Cc1ccccn1)[*:1]
C#CCOc1cc(F)ccc1NC(=O)Nc1cc(CCC)nn1C C#CCO[*:1] CCCc1cc(NC(=O)Nc2ccc(F)cc2[*:1])n(C)n1
C#CCOc1cc(F)ccc1NC(=O)Nc1cc(CCC)nn1C C#CC[*:1] CCCc1cc(NC(=O)Nc2ccc(F)cc2O[*:1])n(C)n1
C#CCOc1cc(F)ccc1NC(=O)Nc1cc(CCC)nn1C CCC[*:1] C#CCOc1cc(F)ccc1NC(=O)Nc1cc(nn1C)[*:1]
c1ccc(-c2nnn3c2nc(N2CCN(c4ncccn4)CC2)c2ccccc23)cc1 c1cnc(nc1)[*:1] c1ccc(cc1)-c1nnn2c1nc(c1ccccc12)N1CCN(CC1)[*:1]
c1ccc(-c2nnn3c2nc(N2CCN(c4ncccn4)CC2)c2ccccc23)cc1 c1ccc(cc1)[*:1] c1cnc(nc1)N1CCN(CC1)c1nc2c(nnn2c2ccccc12)[*:1]
O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 c1c[nH]c(c1)CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)Cc1ccccc1
O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 c1c[nH]c(c1)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)C(=O)Cc1ccccc1
O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 c1c[nH]c(c1)C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)Cc1ccccc1
O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1occc1C(=O)N/N=C/c1ccc2c(c1)Cc1ccccc1-2 Cc1occc1[*:1] O=C(N/N=C/c1ccc2c(c1)Cc1ccccc1-2)[*:1]
COCc1ccccc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 COC[*:1] O=C(c1ccccc1[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
O=C(C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)N1CCc2ccccc21 Fc1ccc(cc1)[*:1] O=C(C[C@H]1CSc2nc3c(cnn3[*:1])c(=O)n21)N1CCc2ccccc21
C[C@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] C[C@H](Oc1ccc(cc1)Oc1ccccc1)C(=O)N[*:1]
C[C@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccncc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc(cc1)O[*:1])C(=O)Nc1ccncc1
C[C@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccncc1 c1ccc(cc1)O[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)Nc1ccncc1
CN1C(=O)c2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc2C1=O CS(=O)(=O)[*:1] CN1C(=O)c2ccc(cc2C1=O)NC(=O)c1cccc(c1)[*:1]
CCc1ccccc1-n1c2c(cc(C#N)c1=O)C(=O)CC(C)(C)C2 CCc1ccccc1[*:1] CC1(C)CC(=O)c2cc(C#N)c(=O)n(c2C1)[*:1]
Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)CCCC5)C3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)[C@H]1CCCN(C1)S(=O)(=O)c1ccc2CCCCc2c1
Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)CCCC5)C3)s2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=S(=O)(c1ccc2CCCCc2c1)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)CCCC5)C3)s2)cc1 c1cc2CCCCc2cc1[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
C/C(=N/NC(=O)Cn1nccc1C)c1ccc2ccccc2c1 Cc1ccnn1[*:1] C/C(=N/NC(=O)C[*:1])c1ccc2ccccc2c1
C/C(=N/NC(=O)Cn1nccc1C)c1ccc2ccccc2c1 Cc1ccnn1C[*:1] C/C(=N/NC(=O)[*:1])c1ccc2ccccc2c1
CC[C@H](C)C[C@H](C)NC(=O)c1nccn1C CC[C@H](C)C[*:1] C[C@H](NC(=O)c1nccn1C)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)c1nccn1C CC[C@H](C)[*:1] C[C@@H](C[*:1])NC(=O)c1nccn1C
COCc1cc(C(=O)Nc2n[nH]c(-c3ccoc3)n2)no1 c1cc(co1)[*:1] COCc1cc(no1)C(=O)Nc1n[nH]c(n1)[*:1]
COCc1cc(C(=O)Nc2n[nH]c(-c3ccoc3)n2)no1 COC[*:1] O=C(Nc1n[nH]c(n1)-c1ccoc1)c1cc(on1)[*:1]
Cc1ccc([C@@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1C C[C@H](c1ccncc1)[*:1] Cc1ccc(cc1C)[C@@H](C)[NH2+]C1CCN(CC1)[*:1]
Cc1ccc([C@@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](c1ccncc1)N1CCC(CC1)[NH2+][C@H](C)[*:1]
Cc1ccc([C@@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1C c1cc(ccn1)[*:1] Cc1ccc(cc1C)[C@@H](C)[NH2+]C1CCN(CC1)[C@H](C)[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)Nc3ccncc3)C2)nc2ccccc21 CC(C)[*:1] O=C(Nc1ccncc1)N1CCC[C@@H](C1)c1nc2ccccc2n1[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)Nc3ccncc3)C2)nc2ccccc21 c1cc(ccn1)[*:1] CC(C)n1c(nc2ccccc21)[C@H]1CCCN(C1)C(=O)N[*:1]
CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)[*:1])-c1cccs1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc(Cl)c2)n1 c1csc(c1)[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)c1cccc(Cl)c1)[*:1]
CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc(Cl)c2)n1 O=C(N[*:1])c1cccc(Cl)c1 CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1[*:1])-c1cccs1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc(Cl)c2)n1 CC(C)[*:1] O=C(Nc1cc(nn1-c1nc(cc(=O)[nH]1)[*:1])-c1cccs1)c1cccc(Cl)c1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc(Cl)c2)n1 CC(C)c1cc(=O)[nH]c(n1)[*:1] O=C(Nc1cc(nn1[*:1])-c1cccs1)c1cccc(Cl)c1
Cc1nc(-c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2ccccc2oc1=O
O=C([O-])CC[C@H](O)c1cncn1C1CC1 O=C([O-])C[*:1] O[C@@H](C[*:1])c1cncn1C1CC1
O=C([O-])CC[C@H](O)c1cncn1C1CC1 C1CC1[*:1] O=C([O-])CC[C@H](O)c1cncn1[*:1]
O=C([O-])CC[C@H](O)c1cncn1C1CC1 O=C([O-])[*:1] O[C@@H](CC[*:1])c1cncn1C1CC1
O=C([O-])CC[C@H](O)c1cncn1C1CC1 O=C([O-])CC[*:1] O[C@H](c1cncn1C1CC1)[*:1]
CC[C@H](CCCl)C[NH2+]Cc1ccc(Cl)s1 ClCC[*:1] CC[C@H](C[NH2+]Cc1ccc(Cl)s1)[*:1]
O=C(NCCCC(=O)N1CCCc2cccc(OC(F)F)c21)c1ccccc1 FC(F)[*:1] O=C(NCCCC(=O)N1CCCc2cccc(O[*:1])c21)c1ccccc1
O=C(NCCCC(=O)N1CCCc2cccc(OC(F)F)c21)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCCNC(=O)[*:1])N1CCCc2cccc(OC(F)F)c21
O=C(NCCCC(=O)N1CCCc2cccc(OC(F)F)c21)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(CCC[*:1])N1CCCc2cccc(OC(F)F)c21
O=C(NCCCC(=O)N1CCCc2cccc(OC(F)F)c21)c1ccccc1 FC(F)O[*:1] O=C(NCCCC(=O)N1CCCc2cccc(c21)[*:1])c1ccccc1
C[C@H](CCCO)NC(=O)c1cn(-c2ccccc2)nn1 OCCC[*:1] C[C@H](NC(=O)c1cn(nn1)-c1ccccc1)[*:1]
C[C@H](CCCO)NC(=O)c1cn(-c2ccccc2)nn1 OCC[*:1] C[C@H](C[*:1])NC(=O)c1cn(nn1)-c1ccccc1
C[C@H](CCCO)NC(=O)c1cn(-c2ccccc2)nn1 C[C@H](CCCO)[*:1] O=C(N[*:1])c1cn(nn1)-c1ccccc1
C[C@H](CCCO)NC(=O)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] C[C@H](CCCO)NC(=O)c1cn(nn1)[*:1]
C[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCCO1)c1ccc(F)c(F)c1 C1CC[C@@H](C[*:1])OC1 C[C@H](NC(=O)[C@@H](C)O[*:1])c1ccc(F)c(F)c1
C[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCCO1)c1ccc(F)c(F)c1 C1CC[C@H](OC1)[*:1] C[C@H](NC(=O)[C@@H](C)OC[*:1])c1ccc(F)c(F)c1
Cc1c(Cl)cnn1CN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] Cc1c(Cl)cnn1CN1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
Cc1c(Cl)cnn1CN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 Cc1c(Cl)cnn1[*:1] FC(F)(F)c1ccc(nc1)O[C@H]1CCN(C1)C[*:1]
Cc1c(Cl)cnn1CN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 Cc1c(Cl)cnn1C[*:1] FC(F)(F)c1ccc(nc1)O[C@H]1CCN(C1)[*:1]
O=C(CCc1csc(NC(=O)c2ccco2)n1)NCc1ccccc1 O=C(N[*:1])c1ccco1 O=C(CCc1csc(n1)[*:1])NCc1ccccc1
O=C(CCc1csc(NC(=O)c2ccco2)n1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCc1csc(n1)NC(=O)c1ccco1)N[*:1]
O=C(CCc1csc(NC(=O)c2ccco2)n1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1csc(n1)NC(=O)c1ccco1)NC[*:1]
O=C(CCc1csc(NC(=O)c2ccco2)n1)NCc1ccccc1 c1coc(c1)[*:1] O=C(CCc1csc(n1)NC(=O)[*:1])NCc1ccccc1
CC[C@H](C#N)NC(=O)c1cc(COc2cccc(C(C)=O)c2)on1 CC(=O)[*:1] CC[C@H](C#N)NC(=O)c1cc(COc2cccc(c2)[*:1])on1
Cc1csc(N2CCCN(C(=O)C(=O)Nc3ccc(Cl)c(F)c3)CC2)n1 Fc1cc(ccc1Cl)[*:1] Cc1csc(n1)N1CCCN(CC1)C(=O)C(=O)N[*:1]
Cc1csc(N2CCCN(C(=O)C(=O)Nc3ccc(Cl)c(F)c3)CC2)n1 Cc1csc(n1)[*:1] O=C(Nc1ccc(Cl)c(F)c1)C(=O)N1CCCN(CC1)[*:1]
CCS[C@H](C(=O)N(C)Cc1nc(C(F)(F)F)cs1)C(C)C CCS[*:1] CC(C)[C@@H](C(=O)N(C)Cc1nc(cs1)C(F)(F)F)[*:1]
CCS[C@H](C(=O)N(C)Cc1nc(C(F)(F)F)cs1)C(C)C FC(F)(F)[*:1] CCS[C@H](C(=O)N(C)Cc1nc(cs1)[*:1])C(C)C
CCS[C@H](C(=O)N(C)Cc1nc(C(F)(F)F)cs1)C(C)C CC(C)[*:1] CCS[C@H](C(=O)N(C)Cc1nc(cs1)C(F)(F)F)[*:1]
C[C@H](Cc1ccc(O)cc1)NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 Oc1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
CC(C)(C)C(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCN(CC1)C(=O)N[C@@H]1CCC[C@H]1[*:1]
CC(C)(C)C(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 CC(C)(C)[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
CC(C)[C@@H](C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 CC(C)[*:1] C[C@@H]([NH2+]Cc1csc(n1)-c1ccc(F)cc1)[*:1]
COc1ccc(C(=O)N[C@@H](C(=O)Nc2ncc(C)s2)C(C)C)cc1 Cc1cnc(s1)[*:1] COc1ccc(cc1)C(=O)N[C@@H](C(=O)N[*:1])C(C)C
COc1ccc(C(=O)N[C@@H](C(=O)Nc2ncc(C)s2)C(C)C)cc1 COc1ccc(cc1)[*:1] Cc1cnc(NC(=O)[C@H](NC(=O)[*:1])C(C)C)s1
COc1ccc(C(=O)N[C@@H](C(=O)Nc2ncc(C)s2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)N[C@@H](C(=O)Nc1ncc(C)s1)[*:1]
O=C(Nc1cccc(Oc2ccccc2)c1)c1cnc2nc([O-])[nH]c(=O)c2c1 c1ccc(cc1)O[*:1] O=C(Nc1cccc(c1)[*:1])c1cnc2nc([O-])[nH]c(=O)c2c1
O=C(Nc1cccc(Oc2ccccc2)c1)c1cnc2nc([O-])[nH]c(=O)c2c1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)O[*:1])c1cnc2nc([O-])[nH]c(=O)c2c1
CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nccs1 CC(C)C[*:1] O=C1CC[C@]2(C(=O)Nc3nccs3)N1c1ccccc1C(=O)N2[*:1]
CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12[*:1]
CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nccs1 CC(C)[*:1] O=C1c2ccccc2N2C(=O)CC[C@@]2(C(=O)Nc2nccs2)N1C[*:1]
CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)N[*:1]
CCc1ccc(-c2n[nH]c(SCc3cc(=O)n4ccsc4n3)n2)cc1 CCc1ccc(cc1)[*:1] O=c1cc(CSc2nc(n[nH]2)[*:1])nc2sccn12
Cc1ccc(NC(=O)N(C)Cc2ccccc2Br)c(C)c1 Brc1ccccc1[*:1] Cc1ccc(NC(=O)N(C)C[*:1])c(C)c1
CC[C@@H](NC(=O)NC[C@H](C)c1ccsc1)c1nc2ccccc2[nH]1 C[C@@H](C[*:1])c1ccsc1 CC[C@@H](NC(=O)N[*:1])c1nc2ccccc2[nH]1
CC[C@@H](NC(=O)NC[C@H](C)c1ccsc1)c1nc2ccccc2[nH]1 c1cc(cs1)[*:1] CC[C@@H](NC(=O)NC[C@H](C)[*:1])c1nc2ccccc2[nH]1
CC[C@@H](NC(=O)NC[C@H](C)c1ccsc1)c1nc2ccccc2[nH]1 C[C@H](c1ccsc1)[*:1] CC[C@@H](NC(=O)NC[*:1])c1nc2ccccc2[nH]1
NC(=O)C1([NH2+]CCOc2ccc(Cl)cc2)CCCCC1 NC(=O)[*:1] Clc1ccc(cc1)OCC[NH2+]C1(CCCCC1)[*:1]
Cc1cn2c(CC(=O)N[C@@H](C(=O)[O-])[C@H](C)O)csc2n1 C[C@H](O)[*:1] Cc1cn2c(csc2n1)CC(=O)N[C@@H](C(=O)[O-])[*:1]
Cc1cn2c(CC(=O)N[C@@H](C(=O)[O-])[C@H](C)O)csc2n1 O=C([O-])[*:1] Cc1cn2c(csc2n1)CC(=O)N[C@@H]([C@H](C)O)[*:1]
Cc1nc(-c2ccccc2)sc1CC(=O)NCCC1=CCCCC1 c1ccc(cc1)[*:1] Cc1nc(sc1CC(=O)NCCC1=CCCCC1)[*:1]
COC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H](OC[C@@H]2CCOC2)C1 COC(=O)[*:1] C1C[C@@H](C[C@](C1)([NH2+]C1CC1)[*:1])OC[C@@H]1CCOC1
COC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H](OC[C@@H]2CCOC2)C1 C1C[C@H](CO1)[*:1] COC(=O)[C@]1(CCC[C@@H](C1)OC[*:1])[NH2+]C1CC1
COC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H](OC[C@@H]2CCOC2)C1 C1C[C@H](CO1)CO[*:1] COC(=O)[C@]1(CCC[C@H](C1)[*:1])[NH2+]C1CC1
COC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H](OC[C@@H]2CCOC2)C1 C1C[C@H](CO1)C[*:1] COC(=O)[C@]1(CCC[C@@H](C1)O[*:1])[NH2+]C1CC1
COC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H](OC[C@@H]2CCOC2)C1 C1CC1[*:1] COC(=O)[C@]1(CCC[C@@H](C1)OC[C@@H]1CCOC1)[NH2+][*:1]
Cc1ccccc1OCCN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 Cc1ccccc1O[*:1] CN(CC[*:1])C(=O)c1cccc(c1)S(=O)(=O)N1CCCC1
Cc1ccccc1OCCN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 Cc1ccccc1OC[*:1] CN(C[*:1])C(=O)c1cccc(c1)S(=O)(=O)N1CCCC1
Cc1ccccc1OCCN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] Cc1ccccc1OCCN(C)C(=O)c1cccc(c1)[*:1]
Cc1ccccc1OCCN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 Cc1ccccc1[*:1] CN(CCO[*:1])C(=O)c1cccc(c1)S(=O)(=O)N1CCCC1
O=C(NCc1ccccc1F)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(NCc1ccccc1F)[C@H]1C[C@@H](CN(C1)C(=O)[*:1])c1ccccc1
O=C(NCc1ccccc1F)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccc(F)c2)C1 Fc1ccccc1[*:1] O=C(NC[*:1])[C@H]1C[C@@H](CN(C1)C(=O)c1cccc(F)c1)c1ccccc1
O=C(NCc1ccccc1F)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccc(F)c2)C1 Fc1ccccc1C[*:1] O=C(N[*:1])[C@H]1C[C@@H](CN(C1)C(=O)c1cccc(F)c1)c1ccccc1
O=C(NCc1ccccc1F)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccc(F)c2)C1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1F)[C@H]1C[C@H](CN(C1)C(=O)c1cccc(F)c1)[*:1]
CC(=O)Nc1cccc(OCC#CCNS(=O)(=O)c2ccc(Cl)cc2)c1 CC(=O)N[*:1] O=S(=O)(NCC#CCOc1cccc(c1)[*:1])c1ccc(Cl)cc1
CC(=O)Nc1cccc(OCC#CCNS(=O)(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)OCC#CCNS(=O)(=O)[*:1]
COc1cc2c(cc1CN1CCC[C@@H](c3nnsc3S(C)(=O)=O)C1)OCO2 CS(=O)(=O)[*:1] COc1cc2OCOc2cc1CN1CCC[C@H](C1)c1nnsc1[*:1]
COc1cc2c(cc1CN1CCC[C@@H](c3nnsc3S(C)(=O)=O)C1)OCO2 CS(=O)(=O)c1snnc1[*:1] COc1cc2OCOc2cc1CN1CCC[C@@H](C1)[*:1]
COC(=O)c1ccc(Cl)c(-c2ccc(C(=O)[O-])c(F)c2)c1 COC(=O)[*:1] O=C([O-])c1ccc(cc1F)-c1cc(ccc1Cl)[*:1]
COC(=O)c1ccc(Cl)c(-c2ccc(C(=O)[O-])c(F)c2)c1 O=C([O-])[*:1] COC(=O)c1ccc(Cl)c(c1)-c1ccc(c(F)c1)[*:1]
Cc1nc(CN2CCN(c3nccs3)CC2)cs1 c1csc(n1)[*:1] Cc1nc(cs1)CN1CCN(CC1)[*:1]
Cc1nc(CN2CCN(c3nccs3)CC2)cs1 Cc1nc(cs1)[*:1] c1csc(n1)N1CCN(CC1)C[*:1]
CN(C(=O)c1cccn(Cc2ccccc2)c1=O)C1CCCCCCC1 C1CCCC(CCC1)[*:1] CN(C(=O)c1cccn(Cc2ccccc2)c1=O)[*:1]
CN(C(=O)c1cccn(Cc2ccccc2)c1=O)C1CCCCCCC1 c1ccc(cc1)C[*:1] CN(C(=O)c1cccn(c1=O)[*:1])C1CCCCCCC1
CN(C(=O)c1cccn(Cc2ccccc2)c1=O)C1CCCCCCC1 c1ccc(cc1)[*:1] CN(C(=O)c1cccn(C[*:1])c1=O)C1CCCCCCC1
CC(C)[NH+](CCNC(=O)c1cc2ccccc2s1)C1CC1 C1CC1[*:1] CC(C)[NH+](CCNC(=O)c1cc2ccccc2s1)[*:1]
CC(C)[NH+](CCNC(=O)c1cc2ccccc2s1)C1CC1 CC(C)[*:1] O=C(NCC[NH+](C1CC1)[*:1])c1cc2ccccc2s1
C=CCn1c(SCC(=O)Nc2ccccc2F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 C=CC[*:1] C[C@@H]1CCc2c(C1)sc1nc(SCC(=O)Nc3ccccc3F)n(c(=O)c21)[*:1]
C=CCn1c(SCC(=O)Nc2ccccc2F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 Fc1ccccc1[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2ccccc2F)nc2sc3c(c2c1=O)CC[C@@H](C)C3 O=C(Nc1ccccc1F)[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SC[*:1]
CC[C@@H](C)NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 CC[C@@H](C)NC(=O)[*:1] O=c1oc2cc(ccc2n1C[*:1])S(=O)(=O)N1CCCCC1
CC[C@@H](C)NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 O=S(=O)(N1CCCCC1)[*:1] CC[C@@H](C)NC(=O)Cn1c(=O)oc2cc(ccc21)[*:1]
CC[C@@H](C)NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 CC[C@@H](C)[*:1] O=C(Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCCCC1)N[*:1]
CC[C@@H](C)NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 CC[C@@H](C)NC(=O)C[*:1] O=c1oc2cc(ccc2n1[*:1])S(=O)(=O)N1CCCCC1
Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)CC1CCC1 C1CC(C1)[*:1] Cc1cc(ccc1NS(=O)(=O)C[*:1])OCc1cccc(C#N)c1
Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)CC1CCC1 N#Cc1cccc(c1)[*:1] Cc1cc(ccc1NS(=O)(=O)CC1CCC1)OC[*:1]
Cc1cc(OCc2cccc(C#N)c2)ccc1NS(=O)(=O)CC1CCC1 C1CC(C1)C[*:1] Cc1cc(ccc1NS(=O)(=O)[*:1])OCc1cccc(C#N)c1
COc1ccccc1NC(=O)COC(=O)c1ccc2ccccc2c1O COc1ccccc1[*:1] O=C(COC(=O)c1ccc2ccccc2c1O)N[*:1]
CCc1nn(C)c(C[C@@H]([NH3+])[C@@](C)(CC)N(C)C)c1Cl CN(C)[*:1] CCc1nn(C)c(C[C@@H]([NH3+])[C@@](C)(CC)[*:1])c1Cl
Cc1cc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)n(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cc1cc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)n(n1)-c1ccc(cc1)[*:1]
Cc1nc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 CC(C)[*:1] Cc1nc2ccccc2n1CCNC(=O)c1ccc(cc1)S(=O)(=O)N(C)[*:1]
Cc1nc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 CC(C)N(C)S(=O)(=O)[*:1] Cc1nc2ccccc2n1CCNC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC(C4OCCO4)CC3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCC(CC1)C1OCCO1
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC(C4OCCO4)CC3)cc2)cc1 C1COC(O1)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
CCNC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 CCNC(=O)[*:1] O=C(CSc1ccccc1[*:1])Nc1ccc(F)cc1
CCNC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCNC(=O)c1ccccc1SCC(=O)N[*:1]
O=C(c1cnn(-c2ccccc2)c1)N(Cc1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] O=C(c1cnn(c1)-c1ccccc1)N(C[*:1])C1CC1
O=C(c1cnn(-c2ccccc2)c1)N(Cc1ccc(Cl)cc1)C1CC1 C1CC1[*:1] O=C(c1cnn(c1)-c1ccccc1)N(Cc1ccc(Cl)cc1)[*:1]
O=C(c1cnn(-c2ccccc2)c1)N(Cc1ccc(Cl)cc1)C1CC1 c1ccc(cc1)[*:1] O=C(c1cnn(c1)[*:1])N(Cc1ccc(Cl)cc1)C1CC1
O=C(c1cnn(-c2ccccc2)c1)N(Cc1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)C[*:1] O=C(c1cnn(c1)-c1ccccc1)N(C1CC1)[*:1]
COc1ccccc1C(=O)NC(=S)Nc1cccc(C(N)=O)c1 NC(=O)[*:1] COc1ccccc1C(=O)NC(=S)Nc1cccc(c1)[*:1]
Cc1cccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nccn1-c1cccc(Cl)c1)N[*:1]
Cc1cccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)CSc1nccn1[*:1]
O=C(CCSc1ccccc1)N[C@H]1CCC[C@@H](O)C1 c1ccc(cc1)[*:1] O=C(CCS[*:1])N[C@H]1CCC[C@@H](O)C1
CC(=O)c1cccc(NC(=O)NCCc2nc3ccc(F)cc3n2C)c1 CC(=O)[*:1] Cn1c(CCNC(=O)Nc2cccc(c2)[*:1])nc2ccc(F)cc21
COc1ccccc1[C@@H](NC(=O)NCC[NH+]1CCCCC1)c1ccccn1 COc1ccccc1[*:1] O=C(NCC[NH+]1CCCCC1)N[C@@H](c1ccccn1)[*:1]
COc1ccccc1[C@@H](NC(=O)NCC[NH+]1CCCCC1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)NCC[NH+]1CCCCC1)[*:1]
O=S(=O)(CC1CCC1)N1CCN(CCO)CC1 OCC[*:1] O=S(=O)(CC1CCC1)N1CCN(CC1)[*:1]
O=S(=O)(CC1CCC1)N1CCN(CCO)CC1 C1CC(C1)C[*:1] O=S(=O)(N1CCN(CCO)CC1)[*:1]
O=S(=O)(CC1CCC1)N1CCN(CCO)CC1 C1CC(C1)[*:1] O=S(=O)(C[*:1])N1CCN(CCO)CC1
COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCN(c3ccc(O)cc3)CC2)C1=O COc1cc(Cl)c(C)cc1[*:1] O=C1C[C@@H](C(=O)N1[*:1])N1CCN(CC1)c1ccc(O)cc1
COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCN(c3ccc(O)cc3)CC2)C1=O Oc1ccc(cc1)[*:1] COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](C1=O)N1CCN(CC1)[*:1]
CC[C@H](C)CN(C)c1nc(C(F)(F)F)ccc1C(N)=O NC(=O)[*:1] CC[C@H](C)CN(C)c1nc(ccc1[*:1])C(F)(F)F
CC[C@H](C)CN(C)c1nc(C(F)(F)F)ccc1C(N)=O CC[C@H](C)[*:1] CN(C[*:1])c1nc(ccc1C(N)=O)C(F)(F)F
CC[C@H](C)CN(C)c1nc(C(F)(F)F)ccc1C(N)=O CC[C@H](C)C[*:1] CN(c1nc(ccc1C(N)=O)C(F)(F)F)[*:1]
CC[C@H](C)CN(C)c1nc(C(F)(F)F)ccc1C(N)=O FC(F)(F)[*:1] CC[C@H](C)CN(C)c1nc(ccc1C(N)=O)[*:1]
COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)[*:1]
COCc1ccc(C(=O)N2CCC(c3ncc4c(n3)CC[NH+](C)C4)CC2)cc1 COCc1ccc(cc1)[*:1] C[NH+]1CCc2nc(ncc2C1)C1CCN(CC1)C(=O)[*:1]
COCc1ccc(C(=O)N2CCC(c3ncc4c(n3)CC[NH+](C)C4)CC2)cc1 COC[*:1] C[NH+]1CCc2nc(ncc2C1)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CSC[C@H](C(=O)N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 CC(C)[*:1] CSC[C@H](C(=O)N1CCC[C@@H](C1)NC(=O)[*:1])c1ccccc1
CSC[C@H](C(=O)N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 CSC[*:1] CC(C)C(=O)N[C@H]1CCCN(C1)C(=O)[C@H](c1ccccc1)[*:1]
CSC[C@H](C(=O)N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 c1ccc(cc1)[*:1] CSC[C@H](C(=O)N1CCC[C@@H](C1)NC(=O)C(C)C)[*:1]
CSC[C@H](C(=O)N1CCC[C@H](NC(=O)C(C)C)C1)c1ccccc1 CC(C)C(=O)N[*:1] CSC[C@H](C(=O)N1CCC[C@H](C1)[*:1])c1ccccc1
Cc1ccc(CCC(=O)N2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)CC[*:1])Nc1ccccc1Cl
Cc1ccc(CCC(=O)N2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)cc1Cl Clc1ccccc1[*:1] Cc1ccc(cc1Cl)CCC(=O)N1CC[NH+](CC1)CC(=O)N[*:1]
Cc1ccc(CCC(=O)N2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)cc1Cl Cc1ccc(cc1Cl)C[*:1] O=C(C[NH+]1CCN(CC1)C(=O)C[*:1])Nc1ccccc1Cl
CCC1(CNC(=O)N2CCC[C@H]2c2ccccc2)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])N1CCC[C@H]1c1ccccc1
CCC1(CNC(=O)N2CCC[C@H]2c2ccccc2)CC1 CCC1(CC1)C[*:1] O=C(N[*:1])N1CCC[C@H]1c1ccccc1
CCC1(CNC(=O)N2CCC[C@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC1(CC1)CNC(=O)N1CCC[C@@H]1[*:1]
CC[C@@H](C)NC(=O)Cn1c(-c2ccccc2)cc(C(C)=O)c1C CC(=O)[*:1] CC[C@@H](C)NC(=O)Cn1c(cc(c1C)[*:1])-c1ccccc1
CC[C@@H](C)NC(=O)Cn1c(-c2ccccc2)cc(C(C)=O)c1C CC[C@@H](C)[*:1] CC(=O)c1cc(-c2ccccc2)n(CC(=O)N[*:1])c1C
CC[C@@H](C)NC(=O)Cn1c(-c2ccccc2)cc(C(C)=O)c1C CC[C@@H](C)NC(=O)[*:1] CC(=O)c1cc(-c2ccccc2)n(C[*:1])c1C
CC[C@@H](C)NC(=O)Cn1c(-c2ccccc2)cc(C(C)=O)c1C c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)Cn1c(cc(C(C)=O)c1C)[*:1]
C[C@@H](Cn1cccn1)[NH2+]CCS(=O)(=O)c1ccccc1 c1cnn(c1)C[*:1] C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)[*:1]
C[C@@H](Cn1cccn1)[NH2+]CCS(=O)(=O)c1ccccc1 c1cnn(c1)[*:1] C[C@@H](C[*:1])[NH2+]CCS(=O)(=O)c1ccccc1
C[C@@H](Cn1cccn1)[NH2+]CCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cn1cccn1)[NH2+]CCS(=O)(=O)[*:1]
C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](C)(CCC)C1=O C=C(C)C[*:1] CCC[C@]1(C)NC(=O)N(CC(=O)N(CC)[*:1])C1=O
C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](C)(CCC)C1=O CCC[*:1] C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](C)(CCC)C1=O C=C(C)[*:1] CCC[C@]1(C)NC(=O)N(CC(=O)N(CC)C[*:1])C1=O
CCn1nc([C@@H](C)C(=O)NCCn2c(=O)oc3cccnc32)c2ccccc2c1=O O=c1oc2cccnc2n1[*:1] CCn1nc(c2ccccc2c1=O)[C@@H](C)C(=O)NCC[*:1]
NC(=O)NC[C@H]1CCCCN1C(=O)CN[C@@H](c1ccccc1)C(F)(F)F NC(=O)NC[*:1] O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCCC[C@@H]1[*:1]
NC(=O)NC[C@H]1CCCCN1C(=O)CN[C@@H](c1ccccc1)C(F)(F)F NC(=O)N[*:1] O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCCC[C@@H]1C[*:1]
NC(=O)NC[C@H]1CCCCN1C(=O)CN[C@@H](c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] NC(=O)NC[C@H]1CCCCN1C(=O)CN[C@@H](C(F)(F)F)[*:1]
NC(=O)NC[C@H]1CCCCN1C(=O)CN[C@@H](c1ccccc1)C(F)(F)F FC(F)(F)[*:1] NC(=O)NC[C@H]1CCCCN1C(=O)CN[C@@H](c1ccccc1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC(=O)[O-])[C@H]2c2cccc(O)c2)cc1 O=C([O-])[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1cccc(O)c1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC(=O)[O-])[C@H]2c2cccc(O)c2)cc1 O=C([O-])C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(O)c1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC(=O)[O-])[C@H]2c2cccc(O)c2)cc1 Oc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CCC(=O)[O-])[C@@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC(=O)[O-])[C@H]2c2cccc(O)c2)cc1 COc1ccc(cc1)[*:1] O=C([O-])CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccc(O)c1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC(=O)[O-])[C@H]2c2cccc(O)c2)cc1 O=C([O-])CC[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(O)c1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)SCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1C(F)(F)F)S[*:1]
O=C(Nc1ccccc1C(F)(F)F)SCc1ccccc1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])SCc1ccccc1
O=C(Nc1ccccc1C(F)(F)F)SCc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(F)(F)F)SC[*:1]
Cc1nc(-c2ccco2)ccc1C(=O)N(C[C@H]1CCCCO1)C(C)C c1coc(c1)[*:1] Cc1nc(ccc1C(=O)N(C[C@H]1CCCCO1)C(C)C)[*:1]
Cc1nc(-c2ccco2)ccc1C(=O)N(C[C@H]1CCCCO1)C(C)C CC(C)[*:1] Cc1nc(ccc1C(=O)N(C[C@H]1CCCCO1)[*:1])-c1ccco1
Cc1nc(-c2ccco2)ccc1C(=O)N(C[C@H]1CCCCO1)C(C)C C1CC[C@H](C[*:1])OC1 Cc1nc(ccc1C(=O)N(C(C)C)[*:1])-c1ccco1
Cc1nc(-c2ccco2)ccc1C(=O)N(C[C@H]1CCCCO1)C(C)C C1CC[C@@H](OC1)[*:1] Cc1nc(ccc1C(=O)N(C[*:1])C(C)C)-c1ccco1
COC(=O)c1ccccc1NCc1nc(C)no1 COC(=O)[*:1] Cc1noc(CNc2ccccc2[*:1])n1
COC(=O)c1ccccc1NCc1nc(C)no1 Cc1noc(n1)[*:1] COC(=O)c1ccccc1NC[*:1]
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccc(Cl)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(Cc1ccc(cc1)[*:1])NCc1ccc(Cl)cc1
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)N1CCCCC1)NC[*:1]
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)N1CCCCC1)N[*:1]
Cc1nc(CCCOc2ccc(O[C@@H]3CCCCNC3=O)cc2)cs1 Cc1nc(cs1)CC[*:1] O=C1NCCCC[C@H]1Oc1ccc(cc1)OC[*:1]
Cc1nc(CCCOc2ccc(O[C@@H]3CCCCNC3=O)cc2)cs1 Cc1nc(cs1)[*:1] O=C1NCCCC[C@H]1Oc1ccc(cc1)OCCC[*:1]
Cc1nc(CCCOc2ccc(O[C@@H]3CCCCNC3=O)cc2)cs1 Cc1nc(cs1)C[*:1] O=C1NCCCC[C@H]1Oc1ccc(cc1)OCC[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2ccccc2F)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccc1F)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2ccccc2F)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccc1F)SCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2ccccc2F)cc1 Cc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CSc1nnc(-c2ccccc2F)n1[*:1]
Cc1csc([C@H](C)NC(=O)CN2CCCCCC2=O)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)CN1CCCCCC1=O)[*:1]
Cc1n[nH]c(C)c1NC(=O)C[NH+](CCO)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1NC(=O)C[NH+](CCO)C[*:1]
Cc1n[nH]c(C)c1NC(=O)C[NH+](CCO)Cc1ccccc1 Cc1n[nH]c(C)c1[*:1] O=C(C[NH+](CCO)Cc1ccccc1)N[*:1]
Cc1n[nH]c(C)c1NC(=O)C[NH+](CCO)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1n[nH]c(C)c1NC(=O)C[NH+](CCO)[*:1]
C[C@H]1CC[C@@]1(C(=O)[O-])c1cc(F)cc(F)c1 O=C([O-])[*:1] C[C@H]1CC[C@]1(c1cc(F)cc(F)c1)[*:1]
CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cccc2nccnc12 CCOC(=O)C[*:1] Cc1nn(c2N=C(O)C[C@@H](c12)c1cccc2nccnc12)[*:1]
CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cccc2nccnc12 CCOC(=O)[*:1] Cc1nn(C[*:1])c2N=C(O)C[C@@H](c12)c1cccc2nccnc12
O=C([O-])COC[C@@H]1COc2ccccc2O1 O=C([O-])CO[*:1] c1ccc2O[C@@H](COc2c1)C[*:1]
O=C([O-])COC[C@@H]1COc2ccccc2O1 O=C([O-])[*:1] c1ccc2O[C@H](COC[*:1])COc2c1
O=C([O-])COC[C@@H]1COc2ccccc2O1 O=C([O-])C[*:1] c1ccc2O[C@@H](COc2c1)CO[*:1]
COC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)C1 COC[*:1] O=C(Nc1ccc2CCc3ccccc3Nc2c1)N1CC[C@H](C1)[*:1]
Cc1ccc(C)c(CS(=O)(=O)Cc2ncoc2C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)CS(=O)(=O)Cc1ncoc1[*:1]
Cc1ccc(CC(=O)NNC(=O)c2ccc(C#N)cc2)s1 Cc1ccc(s1)[*:1] N#Cc1ccc(cc1)C(=O)NNC(=O)C[*:1]
Cc1ccc(CC(=O)NNC(=O)c2ccc(C#N)cc2)s1 Cc1ccc(C[*:1])s1 N#Cc1ccc(cc1)C(=O)NNC(=O)[*:1]
Cc1cc(C)n([C@H]2CCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)n1 Cc1cc(C)n(n1)[*:1] O=C(Cc1ccc2OCCc2c1)N1CCC[C@@H](C1)[*:1]
O=C([O-])c1cc(F)ccc1N1CCCc2ccccc21 O=C([O-])[*:1] Fc1ccc(c(c1)[*:1])N1CCCc2ccccc21
CC(C)c1ocnc1C(=O)NCc1cc(N(C)C)[nH+]c2ccccc12 CC(C)c1ocnc1[*:1] CN(C)c1cc(CNC(=O)[*:1])c2ccccc2[nH+]1
CC(C)c1ocnc1C(=O)NCc1cc(N(C)C)[nH+]c2ccccc12 CC(C)[*:1] CN(C)c1cc(CNC(=O)c2ncoc2[*:1])c2ccccc2[nH+]1
CC(C)c1ocnc1C(=O)NCc1cc(N(C)C)[nH+]c2ccccc12 CN(C)[*:1] CC(C)c1ocnc1C(=O)NCc1cc([nH+]c2ccccc12)[*:1]
COC(CNC(=O)c1nc(C)n[nH]1)OC COC(OC)[*:1] Cc1n[nH]c(n1)C(=O)NC[*:1]
COCCOCCNC(=O)N1CCN(C)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COCCOCCNC(=O)N1CCN(C)C[C@H]1[*:1]
COCCOCCNC(=O)N1CCN(C)C[C@@H]1c1ccccc1 COCCO[*:1] CN1CCN(C(=O)NCC[*:1])[C@H](C1)c1ccccc1
COCCOCCNC(=O)N1CCN(C)C[C@@H]1c1ccccc1 COCCOC[*:1] CN1CCN(C(=O)NC[*:1])[C@H](C1)c1ccccc1
COCCOCCNC(=O)N1CCN(C)C[C@@H]1c1ccccc1 COC[*:1] CN1CCN(C(=O)NCCOC[*:1])[C@H](C1)c1ccccc1
COCCOCCNC(=O)N1CCN(C)C[C@@H]1c1ccccc1 COCCOCC[*:1] CN1CCN(C(=O)N[*:1])[C@H](C1)c1ccccc1
COCCOCCNC(=O)N1CCN(C)C[C@@H]1c1ccccc1 COCC[*:1] CN1CCN(C(=O)NCCO[*:1])[C@H](C1)c1ccccc1
Cc1csc([C@H](Cc2cccs2)NC(=O)CN[C@@H]2C=CS(=O)(=O)C2)n1 Cc1csc(n1)[*:1] O=C(CN[C@@H]1C=CS(=O)(=O)C1)N[C@@H](Cc1cccs1)[*:1]
Cc1csc([C@H](Cc2cccs2)NC(=O)CN[C@@H]2C=CS(=O)(=O)C2)n1 c1csc(c1)C[*:1] Cc1csc(n1)[C@H](NC(=O)CN[C@@H]1C=CS(=O)(=O)C1)[*:1]
Cc1csc([C@H](Cc2cccs2)NC(=O)CN[C@@H]2C=CS(=O)(=O)C2)n1 c1csc(c1)[*:1] Cc1csc(n1)[C@H](C[*:1])NC(=O)CN[C@@H]1C=CS(=O)(=O)C1
Cc1ccc(-c2cc3c(SCC(=O)N(C)c4ccccc4)nccn3n2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1cc2c(nccn2n1)SCC(=O)N(C)[*:1]
Cc1ccc(-c2cc3c(SCC(=O)N(C)c4ccccc4)nccn3n2)cc1C Cc1ccc(cc1C)[*:1] CN(C(=O)CSc1nccn2nc(cc12)[*:1])c1ccccc1
O=C(Nc1ccnn1Cc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 Clc1cccc(c1)[*:1] O=C(Nc1ccnn1C[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1F
O=C(Nc1ccnn1Cc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 Clc1cccc(c1)C[*:1] O=C(Nc1ccnn1[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1F
O=C(Nc1ccnn1Cc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(Nc1ccnn1Cc1cccc(Cl)c1)C1CCN(CC1)S(=O)(=O)[*:1]
CNC(=O)c1ccc(CN(C)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 CNC(=O)[*:1] CN(Cc1ccc(cc1)[*:1])CN1C(=O)N[C@@H](Cc2ccccc2)C1=O
CNC(=O)c1ccc(CN(C)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 c1ccc(cc1)C[*:1] CNC(=O)c1ccc(cc1)CN(C)CN1C(=O)N[C@@H](C1=O)[*:1]
CNC(=O)c1ccc(CN(C)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)CN(C)CN1C(=O)N[C@@H](C[*:1])C1=O
COCc1nc(Cn2c(-c3cnccn3)noc2=O)cs1 COC[*:1] O=c1onc(-c2cnccn2)n1Cc1csc(n1)[*:1]
COCc1nc(Cn2c(-c3cnccn3)noc2=O)cs1 c1cnc(cn1)[*:1] COCc1nc(cs1)Cn1c(noc1=O)[*:1]
Cc1cc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])n(C)n1 O=C([O-])[*:1] Cc1cc(C(=O)N[C@H]2CCCCC[C@@H]2[*:1])n(C)n1
N#Cc1ccc(C(=O)N2CC(OCc3cccc4ccccc34)C2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N1CC(C1)OCc1cccc2ccccc12)[*:1]
C[C@H](Nc1[nH+]cccc1C(=O)[O-])c1ccc(Cl)cc1 O=C([O-])[*:1] C[C@H](Nc1[nH+]cccc1[*:1])c1ccc(Cl)cc1
CNC(=O)c1ccc(OC)c(NC(=O)N(CCC(C)C)C2CC2)c1 C1CC1[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N(CCC(C)C)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N(CCC(C)C)C2CC2)c1 CC(C)C[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N(C[*:1])C1CC1
CNC(=O)c1ccc(OC)c(NC(=O)N(CCC(C)C)C2CC2)c1 CC(C)CC[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N(C1CC1)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N(CCC(C)C)C2CC2)c1 CNC(=O)[*:1] COc1ccc(cc1NC(=O)N(CCC(C)C)C1CC1)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N(CCC(C)C)C2CC2)c1 CC(C)[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N(CC[*:1])C1CC1
O=C(NCCc1ccc(OC2CCCC2)cc1)c1ccn2nccc2c1 C1CCC(C1)O[*:1] O=C(NCCc1ccc(cc1)[*:1])c1ccn2nccc2c1
O=C(NCCc1ccc(OC2CCCC2)cc1)c1ccn2nccc2c1 C1CCC(C1)[*:1] O=C(NCCc1ccc(cc1)O[*:1])c1ccn2nccc2c1
Cc1cc(NC(=O)CCCNC(=O)c2ccco2)no1 Cc1cc(no1)[*:1] O=C(CCCNC(=O)c1ccco1)N[*:1]
Cc1cc(NC(=O)CCCNC(=O)c2ccco2)no1 c1coc(c1)[*:1] Cc1cc(no1)NC(=O)CCCNC(=O)[*:1]
CC[C@H](C)N1C[C@@](C)(C2CC2)[NH2+]C[C@@]1(C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)N1C[C@](C)([NH2+]C[C@]1(C)[*:1])C1CC1
CC[C@H](C)N1C[C@@](C)(C2CC2)[NH2+]C[C@@]1(C)c1ccccc1 CC[C@H](C)[*:1] C[C@]1(CN([C@@](C)(C[NH2+]1)c1ccccc1)[*:1])C1CC1
CC[C@H](C)N1C[C@@](C)(C2CC2)[NH2+]C[C@@]1(C)c1ccccc1 C1CC1[*:1] CC[C@H](C)N1C[C@@](C)([NH2+]C[C@@]1(C)c1ccccc1)[*:1]
COc1cc(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1cc(ccc1[*:1])CN1CCS(=O)(=O)[C@@H](C)[C@H]1C
COc1cc(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)ccc1OCC(F)(F)F FC(F)(F)[*:1] COc1cc(ccc1OC[*:1])CN1CCS(=O)(=O)[C@@H](C)[C@H]1C
COc1cc(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)ccc1OCC(F)(F)F FC(F)(F)C[*:1] COc1cc(ccc1O[*:1])CN1CCS(=O)(=O)[C@@H](C)[C@H]1C
C[C@H](Sc1nnc(-c2cccnc2)o1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 c1csc(c1)[*:1] C[C@H](Sc1nnc(o1)-c1cccnc1)c1nc2scc(c2c(=O)[nH]1)[*:1]
C[C@H](Sc1nnc(-c2cccnc2)o1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 c1cncc(c1)[*:1] C[C@H](Sc1nnc(o1)[*:1])c1nc2scc(-c3cccs3)c2c(=O)[nH]1
Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cnc(Cl)c(Cl)c2)c1 Clc1cc(cnc1Cl)[*:1] Cc1cccc(c1)NC(=O)c1ccccc1NC(=O)[*:1]
Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cnc(Cl)c(Cl)c2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1cnc(Cl)c(Cl)c1
C[C@H](CC(=O)Oc1cccc(C(=O)N(C)C)c1)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] C[C@H](CC(=O)Oc1cccc(c1)C(=O)N(C)C)[*:1]
C[C@H](CC(=O)Oc1cccc(C(=O)N(C)C)c1)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CC(=O)Oc1cccc(c1)C(=O)N(C)C)C[*:1]
C[C@H](CC(=O)Oc1cccc(C(=O)N(C)C)c1)Cc1cccc(F)c1 CN(C)C(=O)[*:1] C[C@H](CC(=O)Oc1cccc(c1)[*:1])Cc1cccc(F)c1
CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)[NH3+] FC(F)(F)[*:1] CCN(Cc1cccc(c1)[*:1])C(=O)[C@H](C)[NH3+]
O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CNc1ccc(cc1)C(F)(F)F)N[*:1]
O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccc(Br)cc1 FC(F)(F)[*:1] O=C(CNc1ccc(cc1)[*:1])Nc1ccc(Br)cc1
CCCCOc1ccc(C(=O)Nc2c(C(N)=O)n[nH]c2C)cc1 CCCC[*:1] Cc1[nH]nc(C(N)=O)c1NC(=O)c1ccc(cc1)O[*:1]
CCCCOc1ccc(C(=O)Nc2c(C(N)=O)n[nH]c2C)cc1 NC(=O)[*:1] CCCCOc1ccc(cc1)C(=O)Nc1c(n[nH]c1C)[*:1]
CCCCOc1ccc(C(=O)Nc2c(C(N)=O)n[nH]c2C)cc1 CCCCO[*:1] Cc1[nH]nc(C(N)=O)c1NC(=O)c1ccc(cc1)[*:1]
CCCCOc1ccc(C(=O)Nc2c(C(N)=O)n[nH]c2C)cc1 CCC[*:1] Cc1[nH]nc(C(N)=O)c1NC(=O)c1ccc(cc1)OC[*:1]
Nc1c(NNC(=O)c2ccccc2Cl)ncnc1Nc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] Nc1c(ncnc1Nc1cc(ccc1Cl)[*:1])NNC(=O)c1ccccc1Cl
Nc1c(NNC(=O)c2ccccc2Cl)ncnc1Nc1cc(C(F)(F)F)ccc1Cl Clc1ccccc1[*:1] Nc1c(ncnc1Nc1cc(ccc1Cl)C(F)(F)F)NNC(=O)[*:1]
NC(=O)C1(NCc2csc3[n+]2CCCN3)CCCCC1 NC(=O)[*:1] c1sc2NCCC[n+]2c1CNC1(CCCCC1)[*:1]
CC(C)n1c(C[C@@H](O)C(F)(F)F)nc2cccnc21 CC(C)[*:1] O[C@H](Cc1nc2cccnc2n1[*:1])C(F)(F)F
CC(C)n1c(C[C@@H](O)C(F)(F)F)nc2cccnc21 FC(F)(F)[*:1] CC(C)n1c(C[C@@H](O)[*:1])nc2cccnc21
Cc1c(C(=O)O[C@H](C)C(=O)NC2CC2)sc2nc3n(c(=O)c12)CCC3 O=C(NC1CC1)[*:1] Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)O[C@H](C)[*:1]
Cc1c(C(=O)O[C@H](C)C(=O)NC2CC2)sc2nc3n(c(=O)c12)CCC3 C1CC1[*:1] Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)O[C@H](C)C(=O)N[*:1]
Cc1c(C(=O)O[C@H](C)C(=O)NC2CC2)sc2nc3n(c(=O)c12)CCC3 C[C@H](C(=O)NC1CC1)[*:1] Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)O[*:1]
Cc1cc(C)cc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C(=O)/N=C(/NCCc1c(C)nn(C)c1C)N[*:1]
Cc1cc(C)cc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2ccc(F)cc2)c1 Cc1nn(C)c(C)c1CC[*:1] Cc1cc(C)cc(c1)C(=O)/N=C(\Nc1ccc(F)cc1)N[*:1]
Cc1cc(C)cc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2ccc(F)cc2)c1 Cc1cc(C)cc(c1)[*:1] Cc1nn(C)c(C)c1CCN/C(=N/C(=O)[*:1])Nc1ccc(F)cc1
Cc1cc(C)cc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2ccc(F)cc2)c1 Cc1nn(C)c(C)c1C[*:1] Cc1cc(C)cc(c1)C(=O)/N=C(/NC[*:1])Nc1ccc(F)cc1
Cc1cc(C)cc(C(=O)/N=C(/NCCc2c(C)nn(C)c2C)Nc2ccc(F)cc2)c1 Cc1nn(C)c(C)c1[*:1] Cc1cc(C)cc(c1)C(=O)/N=C(/NCC[*:1])Nc1ccc(F)cc1
CC(=O)c1cccc(O[C@@H](C)C(=O)N(C)Cc2ncnn2C)c1 Cn1ncnc1C[*:1] CC(=O)c1cccc(c1)O[C@@H](C)C(=O)N(C)[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)N(C)Cc2ncnn2C)c1 Cn1ncnc1[*:1] CC(=O)c1cccc(c1)O[C@@H](C)C(=O)N(C)C[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)N(C)Cc2ncnn2C)c1 CC(=O)[*:1] C[C@H](Oc1cccc(c1)[*:1])C(=O)N(C)Cc1ncnn1C
C[C@H]1COC[C@@H](C)N1C(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]ncc3c2)C1 c1cc2[nH]ncc2cc1[*:1] C[C@H]1COC[C@@H](C)N1C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1cccc(CC(=O)N2CCN(Cc3ccc(F)cc3F)CC2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccc(F)cc1F
COc1cccc(CC(=O)N2CCN(Cc3ccc(F)cc3F)CC2)c1 Fc1ccc(c(F)c1)[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)C[*:1]
C#CCOCC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 C#CCO[*:1] O=C(c1ccc(s1)[N+](=O)[O-])N1CCC(CC1)C[*:1]
C#CCOCC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 C#CCOC[*:1] O=C(c1ccc(s1)[N+](=O)[O-])N1CCC(CC1)[*:1]
C#CCOCC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 C#CC[*:1] O=C(c1ccc(s1)[N+](=O)[O-])N1CCC(CC1)CO[*:1]
C#CCOCC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 O=[N+]([O-])[*:1] C#CCOCC1CCN(CC1)C(=O)c1ccc(s1)[*:1]
Cc1cc(OCc2cc(C(=O)N[C@@H](C)Cc3cnccn3)no2)cc(C)c1Cl c1cnc(cn1)C[*:1] Cc1cc(cc(C)c1Cl)OCc1cc(no1)C(=O)N[C@@H](C)[*:1]
Cc1cc(OCc2cc(C(=O)N[C@@H](C)Cc3cnccn3)no2)cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] C[C@@H](Cc1cnccn1)NC(=O)c1cc(CO[*:1])on1
Cc1cc(OCc2cc(C(=O)N[C@@H](C)Cc3cnccn3)no2)cc(C)c1Cl c1cnc(cn1)[*:1] Cc1cc(cc(C)c1Cl)OCc1cc(no1)C(=O)N[C@@H](C)C[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](n2cnc3ccc(Br)cc32)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](CC1)n1cnc2ccc(Br)cc21
COC(=O)c1ccc(Oc2coc3c(C[NH+]4CCC(C)CC4)c(=O)ccc-3c2O)cc1 COC(=O)[*:1] CC1CC[NH+](CC1)Cc1c2occ(Oc3ccc(cc3)[*:1])c(O)c-2ccc1=O
COC(=O)c1ccc(Oc2coc3c(C[NH+]4CCC(C)CC4)c(=O)ccc-3c2O)cc1 COC(=O)c1ccc(cc1)[*:1] CC1CC[NH+](CC1)Cc1c2occ(O[*:1])c(O)c-2ccc1=O
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CNc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CNc1ccccc1[*:1]
O=c1oc2ccccc2n1CCn1cc(I)cn1 Ic1cnn(c1)[*:1] O=c1oc2ccccc2n1CC[*:1]
CC(C)n1c(N2CCCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc(=O)n(C(C)C)c1=O CC(C)[*:1] CC(C)n1c(cc(=O)n(c1=O)[*:1])N1CCCN(CC1)C(=O)c1ccc(F)c(Cl)c1
CC(C)n1c(N2CCCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc(=O)n(C(C)C)c1=O CC(C)[*:1] CC(C)n1c(=O)cc(N2CCCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n(c1=O)[*:1]
CC(C)n1c(N2CCCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc(=O)n(C(C)C)c1=O Fc1ccc(cc1Cl)[*:1] CC(C)n1c(cc(=O)n(c1=O)C(C)C)N1CCCN(CC1)C(=O)[*:1]
COC[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 Clc1cccc(c1)[*:1] COC[C@H]1CCCN(C1)C(=O)N[C@@H]1CCN(C1=O)[*:1]
COC[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 COC[*:1] O=C(N[C@@H]1CCN(C1=O)c1cccc(Cl)c1)N1CCC[C@@H](C1)[*:1]
O=S(=O)(/C=C/c1ccccc1)Nc1ccc(-c2cn3ccsc3n2)cc1 c1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])Nc1ccc(cc1)-c1cn2ccsc2n1
O=S(=O)(/C=C/c1ccccc1)Nc1ccc(-c2cn3ccsc3n2)cc1 c1cn2cc(nc2s1)[*:1] O=S(=O)(/C=C/c1ccccc1)Nc1ccc(cc1)[*:1]
O=S(=O)(/C=C/c1ccccc1)Nc1ccc(-c2cn3ccsc3n2)cc1 C(=C[*:1])c1ccccc1 O=S(=O)(Nc1ccc(cc1)-c1cn2ccsc2n1)[*:1]
CCc1cccc(C)c1NC(=O)NCc1ccccc1-n1ccnc1 c1cn(cn1)[*:1] CCc1cccc(C)c1NC(=O)NCc1ccccc1[*:1]
O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)Cc3cccs3)C2)s1 c1csc(c1)C[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)Cc3cccs3)C2)s1 Clc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)[C@H]1CCCN(C1)C(=O)Cc1cccs1
O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)Cc3cccs3)C2)s1 c1csc(c1)[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)C[*:1]
CCCN(CC(F)F)C(=O)N[C@H](C)Cc1c(C)noc1C FC(F)[*:1] CCCN(C[*:1])C(=O)N[C@H](C)Cc1c(C)noc1C
CCCN(CC(F)F)C(=O)N[C@H](C)Cc1c(C)noc1C Cc1noc(C)c1[*:1] CCCN(CC(F)F)C(=O)N[C@H](C)C[*:1]
CCCN(CC(F)F)C(=O)N[C@H](C)Cc1c(C)noc1C FC(F)C[*:1] CCCN(C(=O)N[C@H](C)Cc1c(C)noc1C)[*:1]
CCCN(CC(F)F)C(=O)N[C@H](C)Cc1c(C)noc1C CCC[*:1] Cc1noc(C)c1C[C@@H](C)NC(=O)N(CC(F)F)[*:1]
COCc1cccc(C(=O)NCC(=O)Nc2ccccc2Br)c1 Brc1ccccc1[*:1] COCc1cccc(c1)C(=O)NCC(=O)N[*:1]
COCc1cccc(C(=O)NCC(=O)Nc2ccccc2Br)c1 COC[*:1] O=C(CNC(=O)c1cccc(c1)[*:1])Nc1ccccc1Br
CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2cnn(C(C)(C)C)c2)c(=O)n1C CC(C)C(=O)[*:1] Cn1c(=O)/c(=C/c2cnn(c2)C(C)(C)C)sc1=C(C#N)[*:1]
CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2cnn(C(C)(C)C)c2)c(=O)n1C CC(C)(C)[*:1] CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2cnn(c2)[*:1])c(=O)n1C
CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2cnn(C(C)(C)C)c2)c(=O)n1C CC(C)[*:1] Cn1c(=O)/c(=C/c2cnn(c2)C(C)(C)C)s/c1=C(\C#N)C(=O)[*:1]
COc1ncccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1ncccc1[N-]S(=O)(=O)c1ccc(Br)c(c1)[*:1]
Cc1cccc(C)c1NC(=O)NC1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)NC1(CC1)[*:1]
C[C@]12CCC(=O)N1[C@H](C(=O)NCCc1ccc(F)cc1)CS2 Fc1ccc(cc1)[*:1] C[C@]12CCC(=O)N1[C@@H](CS2)C(=O)NCC[*:1]
CCOc1ccc(Cl)cc1CCNc1nccn(CC)c1=O CCO[*:1] CCn1ccnc(NCCc2cc(Cl)ccc2[*:1])c1=O
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccc(O)c2)CC1 Oc1cccc(c1)[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccc(O)c2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cccc(O)c1)N1CCN(CC1)C(=O)[*:1]
CCC(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2O)C[C@@H](C)[C@H]1C)OCO3 CCC(=O)O[*:1] COc1cc2C[C@@H](C)[C@@H](C)[C@H](c3cc4OCOc4c(OC)c3-c2c(O)c1OC)[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CC[C@H](CN2CCOCC2)C1 Fc1ccc(c(F)c1)[*:1] Cc1nn(c(C)c1CN1CC[C@H](CN2CCOCC2)C1)[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CC[C@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CC[C@H](C1)[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CC[C@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CC[C@@H](C1)C[*:1]
Fc1cccnc1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 FC(F)O[*:1] Fc1cccnc1C[NH2+]Cc1ccc(c(Br)c1)[*:1]
Fc1cccnc1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 Fc1cccnc1[*:1] FC(F)Oc1ccc(cc1Br)C[NH2+]C[*:1]
Fc1cccnc1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 FC(F)[*:1] Fc1cccnc1C[NH2+]Cc1ccc(O[*:1])c(Br)c1
C[C@@H](C(=O)N(CCC(N)=O)c1ccccc1)c1cccs1 NC(=O)CC[*:1] C[C@@H](C(=O)N(c1ccccc1)[*:1])c1cccs1
C[C@@H](C(=O)N(CCC(N)=O)c1ccccc1)c1cccs1 NC(=O)C[*:1] C[C@@H](C(=O)N(C[*:1])c1ccccc1)c1cccs1
C[C@@H](C(=O)N(CCC(N)=O)c1ccccc1)c1cccs1 NC(=O)[*:1] C[C@@H](C(=O)N(CC[*:1])c1ccccc1)c1cccs1
C[C@@H](C(=O)N(CCC(N)=O)c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N(CCC(N)=O)[*:1])c1cccs1
C[C@@H](C(=O)N(CCC(N)=O)c1ccccc1)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)N(CCC(N)=O)c1ccccc1)[*:1]
CCn1ccnc(NCC2(NC(=O)OC(C)(C)C)CCCCC2)c1=O CC(C)(C)[*:1] CCn1ccnc(NCC2(CCCCC2)NC(=O)O[*:1])c1=O
CCn1ccnc(NCC2(NC(=O)OC(C)(C)C)CCCCC2)c1=O CC(C)(C)OC(=O)N[*:1] CCn1ccnc(NCC2(CCCCC2)[*:1])c1=O
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(Cl)ccc1N(C)C CN(C)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(Cl)ccc1[*:1]
CNC(=O)Cc1ccc(NC(=O)c2cc3cc(C)c(C)cc3o2)cc1 CNC(=O)C[*:1] Cc1cc2cc(oc2cc1C)C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC(=O)c2cc3cc(C)c(C)cc3o2)cc1 CNC(=O)[*:1] Cc1cc2cc(oc2cc1C)C(=O)Nc1ccc(cc1)C[*:1]
CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(Oc3ncccn3)cc2C)C1 c1cnc(nc1)O[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)Nc1ccc(cc1C)[*:1]
CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(Oc3ncccn3)cc2C)C1 c1cnc(nc1)[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)Nc1ccc(cc1C)O[*:1]
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC(CC1)O[*:1]
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC(CC1)[*:1]
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC(CC1)OC[*:1]
CN1C(=O)NC(=O)/C(=C2\C[C@H](c3cccs3)NN2)C1=O c1csc(c1)[*:1] CN1C(=O)NC(=O)/C(C1=O)=C1\C[C@H](NN1)[*:1]
COc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1Cl C1CO[C@H](C1)[*:1] COc1ccc(cc1Cl)[C@H]1C(C(=O)OC[*:1])=C(C)NC2CCCC(=O)C=21
COc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1Cl COc1ccc(cc1Cl)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)OC[C@H]1CCCO1)[*:1]
COc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1Cl O=C(OC[C@H]1CCCO1)[*:1] COc1ccc(cc1Cl)[C@@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
COc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1Cl C1CO[C@H](C1)C[*:1] COc1ccc(cc1Cl)[C@H]1C(C(=O)O[*:1])=C(C)NC2CCCC(=O)C=21
CCc1ccccc1NC(=O)c1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] CCc1ccccc1NC(=O)c1ccccc1[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CC(=O)N(c2ccccc2)C1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CC(=O)N(C1)c1ccccc1
COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccccc2C(F)(F)F)cc1 FC(F)(F)c1ccccc1[*:1] COc1ccc(cc1)-n1nc(C)c2c1NC(=O)CS[C@H]2[*:1]
COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-n1nc(C)c2c1NC(=O)CS[C@@H]2c1ccccc1[*:1]
COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccccc2C(F)(F)F)cc1 COc1ccc(cc1)[*:1] Cc1nn(c2NC(=O)CS[C@H](c3ccccc3C(F)(F)F)c12)[*:1]
CC(C)[NH2+][C@H](CCSc1cc2ccccc2[nH]1)C(N)=O NC(=O)[*:1] CC(C)[NH2+][C@H](CCSc1cc2ccccc2[nH]1)[*:1]
CC(C)[NH2+][C@H](CCSc1cc2ccccc2[nH]1)C(N)=O CC(C)[*:1] NC(=O)[C@@H](CCSc1cc2ccccc2[nH]1)[NH2+][*:1]
O=C(Cn1cc(-c2nnc(C[NH+]3CCCCC3)o2)c2ccccc21)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cn1cc(-c2nnc(C[NH+]3CCCCC3)o2)c2ccccc21)N[*:1]
O=C(Cn1cc(-c2nnc(C[NH+]3CCCCC3)o2)c2ccccc21)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] c1ccc2c(c1)c(cn2C[*:1])-c1nnc(C[NH+]2CCCCC2)o1
O=C(Cn1cc(-c2nnc(C[NH+]3CCCCC3)o2)c2ccccc21)NC1CCCCC1 O=C(C[*:1])NC1CCCCC1 c1ccc2c(c1)c(cn2[*:1])-c1nnc(C[NH+]2CCCCC2)o1
Cc1cncc(C(=O)Nc2ccccc2OC(C)C)c1 CC(C)O[*:1] Cc1cncc(c1)C(=O)Nc1ccccc1[*:1]
Cc1cncc(C(=O)Nc2ccccc2OC(C)C)c1 CC(C)[*:1] Cc1cncc(c1)C(=O)Nc1ccccc1O[*:1]
CC(C)[C@@H](Cl)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CC(C)[C@@H](Cl)[C@@H](C)c1ccc(cc1)[*:1]
CC(C)[C@@H](Cl)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 CC(C)[*:1] C[C@@H](c1ccc(cc1)S(C)(=O)=O)[C@H](Cl)[*:1]
CC(C)[C@@H](Cl)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 CC(C)[C@@H](Cl)[*:1] C[C@@H](c1ccc(cc1)S(C)(=O)=O)[*:1]
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c1 COc1cccc(c1)[*:1] N#C/C(=C/c1cn(nc1[*:1])-c1ccccc1)C(=O)NCc1ccccc1
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)-c1nn(cc1/C=C(/C#N)C(=O)N[*:1])-c1ccccc1
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c1 O=C(NCc1ccccc1)[*:1] COc1cccc(c1)-c1nn(cc1C=C(C#N)[*:1])-c1ccccc1
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1nn(cc1/C=C(/C#N)C(=O)NCc1ccccc1)[*:1]
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1nn(cc1/C=C(/C#N)C(=O)NC[*:1])-c1ccccc1
CC(C)c1cc(N)n(-c2cccc(Cl)c2)n1 CC(C)[*:1] Nc1cc(nn1-c1cccc(Cl)c1)[*:1]
CC[C@@H](CNC(=O)C(=O)Nc1ccccc1F)Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] CC[C@@H](CNC(=O)C(=O)Nc1ccccc1F)[*:1]
CC[C@@H](CNC(=O)C(=O)Nc1ccccc1F)Oc1cccc(F)c1 Fc1ccccc1[*:1] CC[C@@H](CNC(=O)C(=O)N[*:1])Oc1cccc(F)c1
CC[C@@H](CNC(=O)C(=O)Nc1ccccc1F)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@@H](CNC(=O)C(=O)Nc1ccccc1F)O[*:1]
Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CC[C@@H](C)[C@@H](O)C3)c12 c1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)N3CC[C@@H](C)[C@@H](O)C3)c12)[*:1]
C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 c1ccc(cc1)[*:1] C[C@@H](Sc1nc(C2CC2)n(n1)[*:1])C(=O)Nc1cccc(C#N)c1
C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 C1CC1[*:1] C[C@@H](Sc1nc(n(n1)-c1ccccc1)[*:1])C(=O)Nc1cccc(C#N)c1
C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](Sc1nc(C2CC2)n(n1)-c1ccccc1)C(=O)N[*:1]
NC(=O)c1ccc(Cl)c(NC(=O)C=CC(=O)[O-])c1 NC(=O)[*:1] O=C([O-])C=CC(=O)Nc1cc(ccc1Cl)[*:1]
NC(=O)c1ccc(Cl)c(NC(=O)C=CC(=O)[O-])c1 O=C([O-])C=C[*:1] NC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
NC(=O)c1ccc(Cl)c(NC(=O)C=CC(=O)[O-])c1 O=C([O-])[*:1] NC(=O)c1ccc(Cl)c(c1)NC(=O)C=C[*:1]
CCc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)C(=O)Nc1ccccc1[*:1]
CCc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)cc1 CCc1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)[*:1]
COc1ccc(-n2c(SCC(=O)Nc3cccc(OC)c3)nc3c(oc4ccccc43)c2=O)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)-n1c(nc2c(oc3ccccc32)c1=O)SCC(=O)N[*:1]
COc1ccc(-n2c(SCC(=O)Nc3cccc(OC)c3)nc3c(oc4ccccc43)c2=O)cc1 COc1cccc(c1)NC(=O)[*:1] COc1ccc(cc1)-n1c(nc2c(oc3ccccc32)c1=O)SC[*:1]
COc1ccc(-n2c(SCC(=O)Nc3cccc(OC)c3)nc3c(oc4ccccc43)c2=O)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CSc1nc2c(oc3ccccc32)c(=O)n1[*:1]
CC[C@H](C)n1c(CCn2cc(Cl)cn2)n[nH]c1=S CC[C@H](C)[*:1] S=c1[nH]nc(CCn2cc(Cl)cn2)n1[*:1]
CC[C@H](C)n1c(CCn2cc(Cl)cn2)n[nH]c1=S Clc1cnn(c1)[*:1] CC[C@H](C)n1c(CC[*:1])n[nH]c1=S
Cc1nc(C)c(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)s1 Cc1nc(C)c(s1)[*:1] O=C(COC(=O)[*:1])Nc1ccc2OCCOc2c1
CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cccc(C#N)c1
CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccncc1 N#Cc1cccc(c1)[*:1] CCn1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cc(F)ccc1F Clc1ccccc1C[*:1] Cc1nn(c(C)c1C(=O)Nc1cc(F)ccc1F)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cc(F)ccc1F Clc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1C(=O)Nc1cc(F)ccc1F
CCCc1ccc(OC(=O)[C@@H]2CCO[C@H]2C)cc1 CCC[*:1] C[C@@H]1OCC[C@H]1C(=O)Oc1ccc(cc1)[*:1]
Clc1cccc(C[NH+]2CCC(c3nnc(-c4ccco4)o3)CC2)c1 c1coc(c1)[*:1] Clc1cccc(c1)C[NH+]1CCC(CC1)c1nnc(o1)[*:1]
Clc1cccc(C[NH+]2CCC(c3nnc(-c4ccco4)o3)CC2)c1 Clc1cccc(c1)C[*:1] c1coc(c1)-c1nnc(o1)C1CC[NH+](CC1)[*:1]
Clc1cccc(C[NH+]2CCC(c3nnc(-c4ccco4)o3)CC2)c1 Clc1cccc(c1)[*:1] c1coc(c1)-c1nnc(o1)C1CC[NH+](CC1)C[*:1]
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1cccc2nsnc12 O=[N+]([O-])[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[*:1])Nc1cccc2nsnc12
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1cccc2nsnc12 c1cc(c2nsnc2c1)[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])N[*:1]
COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(C)cc2Cl)C(C)C)c1 Cc1ccc(c(Cl)c1)[*:1] COc1cc(cc(c1)C(=O)N[C@H](C(=O)N[*:1])C(C)C)OC
COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(C)cc2Cl)C(C)C)c1 CC(C)[*:1] COc1cc(cc(c1)C(=O)N[C@H](C(=O)Nc1ccc(C)cc1Cl)[*:1])OC
CCc1ccc(-c2c(C(=O)NCCCOC)sc3c2cnc2ccc(F)cc23)cc1 COCC[*:1] CCc1ccc(cc1)-c1c(sc2c1cnc1ccc(F)cc12)C(=O)NC[*:1]
CCc1ccc(-c2c(C(=O)NCCCOC)sc3c2cnc2ccc(F)cc23)cc1 COC[*:1] CCc1ccc(cc1)-c1c(sc2c1cnc1ccc(F)cc12)C(=O)NCC[*:1]
CCc1ccc(-c2c(C(=O)NCCCOC)sc3c2cnc2ccc(F)cc23)cc1 COCCC[*:1] CCc1ccc(cc1)-c1c(sc2c1cnc1ccc(F)cc12)C(=O)N[*:1]
CCc1ccc(-c2c(C(=O)NCCCOC)sc3c2cnc2ccc(F)cc23)cc1 COCCCNC(=O)[*:1] CCc1ccc(cc1)-c1c(sc2c1cnc1ccc(F)cc12)[*:1]
CCc1ccc(-c2c(C(=O)NCCCOC)sc3c2cnc2ccc(F)cc23)cc1 CCc1ccc(cc1)[*:1] COCCCNC(=O)c1sc2c(cnc3ccc(F)cc32)c1[*:1]
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)[C@@H](C)O[*:1]
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1cccc(Cl)c1 COc1ccc(Cl)cc1[*:1] C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)CC(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1cccc(Cl)c1 Clc1cccc(c1)O[*:1] COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)[C@@H](C)[*:1]
CCOC(=O)[C@]1(C(F)(F)F)N=C(c2ccncc2)OC(N2CCOCC2)=N1 c1cc(ccn1)[*:1] CCOC(=O)[C@]1(N=C(OC(=N1)[*:1])N1CCOCC1)C(F)(F)F
CCOC(=O)[C@]1(C(F)(F)F)N=C(c2ccncc2)OC(N2CCOCC2)=N1 CCOC(=O)[*:1] FC(F)(F)[C@@]1(N=C(OC(=N1)N1CCOCC1)c1ccncc1)[*:1]
CCOC(=O)[C@]1(C(F)(F)F)N=C(c2ccncc2)OC(N2CCOCC2)=N1 FC(F)(F)[*:1] CCOC(=O)[C@@]1(N=C(OC(=N1)N1CCOCC1)c1ccncc1)[*:1]
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)cc(C)c2[nH]c1=O CC(=O)[*:1] CC1OC(N)=C(C#N)[C@@H](C=1[*:1])c1cc2cc(C)cc(C)c2[nH]c1=O
Cc1cc(N(C)C2CCC(C)(C)CC2)cc(C(=O)[O-])c1N O=C([O-])[*:1] Cc1cc(cc(c1N)[*:1])N(C)C1CCC(C)(C)CC1
CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOC1)CCO2 CC(C)[*:1] c1cc2OCC[C@H]([NH2+][C@H]3CCOC3)c2cc1[*:1]
Cc1ccccc1N1C(=O)C[n+]2ccccc2[C@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1N1C(=O)C[n+]2ccccc2[C@H]1C(=O)N[*:1]
Cc1ccccc1N1C(=O)C[n+]2ccccc2[C@H]1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] Cc1ccccc1N1C(=O)C[n+]2ccccc2[C@@H]1[*:1]
Cc1ccccc1N1C(=O)C[n+]2ccccc2[C@H]1C(=O)Nc1ccccc1 Cc1ccccc1[*:1] O=C(Nc1ccccc1)[C@@H]1c2cccc[n+]2CC(=O)N1[*:1]
COC[C@@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)[*:1]
COC[C@@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccc(F)c(F)c1 CN1C[C@@H](CCC1=O)[*:1] COC[C@@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccc(F)c(F)c1 COC[*:1] CN1C[C@@H](CCC1=O)NC(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
CC(C)(O)CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(O)CSc1nnc(N2CCOCC2)n1[*:1]
CC(C)(O)CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 CC(C)(O)[*:1] Fc1cccc(c1)-n1c(nnc1N1CCOCC1)SC[*:1]
CC(C)(O)CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 CC(C)(O)C[*:1] Fc1cccc(c1)-n1c(nnc1N1CCOCC1)S[*:1]
CC(C)(O)CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 CC(C)(O)CS[*:1] Fc1cccc(c1)-n1c(nnc1[*:1])N1CCOCC1
CC(C)(O)CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 C1CN(CCO1)[*:1] CC(C)(O)CSc1nnc(n1-c1cccc(F)c1)[*:1]
Cc1occc1C(=O)NCC(=O)N1CCCN(c2ccccc2C#N)CC1 Cc1occc1[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)CNC(=O)[*:1]
Cc1occc1C(=O)NCC(=O)N1CCCN(c2ccccc2C#N)CC1 N#Cc1ccccc1[*:1] Cc1occc1C(=O)NCC(=O)N1CCCN(CC1)[*:1]
Cc1occc1C(=O)NCC(=O)N1CCCN(c2ccccc2C#N)CC1 Cc1occc1C(=O)N[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)C[*:1]
O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1[*:1]
O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1C[*:1]
C[C@@H]1CO[C@H](CO)CN1Cc1ccc(-c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] C[C@@H]1CO[C@H](CO)CN1Cc1ccc(s1)[*:1]
O=C(CCc1cc2n(n1)CC[NH2+]C2)NCCc1nc(-c2cccnc2)n[nH]1 c1cncc(c1)[*:1] O=C(CCc1cc2C[NH2+]CCn2n1)NCCc1nc(n[nH]1)[*:1]
CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)COc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 CC(C)CO[*:1] O=C1C[C@H](C2C(=O)C[C@@H](CC=2N1)c1ccc(cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 CC(C)[*:1] O=C1C[C@H](C2C(=O)C[C@@H](CC=2N1)c1ccc(cc1)OC[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 CC(C)C[*:1] O=C1C[C@H](C2C(=O)C[C@@H](CC=2N1)c1ccc(cc1)O[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CC(C)COc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccc(cc1)[*:1]
Cc1nn(C)c(C)c1CCC(=O)NCc1ccco1 c1coc(c1)C[*:1] Cc1nn(C)c(C)c1CCC(=O)N[*:1]
Cc1nn(C)c(C)c1CCC(=O)NCc1ccco1 c1coc(c1)[*:1] Cc1nn(C)c(C)c1CCC(=O)NC[*:1]
Cc1ccccc1[C@@](C)([NH3+])[C@H]1CCOC2(CCOCC2)C1 Cc1ccccc1[*:1] C[C@@]([NH3+])([C@H]1CCOC2(CCOCC2)C1)[*:1]
[NH3+][C@@H](Cc1ccc(OC(F)F)cc1)C(=O)[O-] FC(F)[*:1] [NH3+][C@@H](Cc1ccc(cc1)O[*:1])C(=O)[O-]
[NH3+][C@@H](Cc1ccc(OC(F)F)cc1)C(=O)[O-] FC(F)O[*:1] [NH3+][C@@H](Cc1ccc(cc1)[*:1])C(=O)[O-]
Cc1ccc(C(=O)N[C@H](C)c2cnn(-c3ccccc3C)c2C)cn1 Cc1ccccc1[*:1] Cc1ccc(cn1)C(=O)N[C@H](C)c1cnn(c1C)[*:1]
Cc1ccc(C(=O)N[C@H](C)c2cnn(-c3ccccc3C)c2C)cn1 Cc1ccc(cn1)[*:1] Cc1ccccc1-n1ncc(c1C)[C@@H](C)NC(=O)[*:1]
Cc1noc(COCC(=O)Oc2cccc([N+](=O)[O-])c2C)n1 O=[N+]([O-])[*:1] Cc1noc(COCC(=O)Oc2cccc(c2C)[*:1])n1
Cc1noc(COCC(=O)Oc2cccc([N+](=O)[O-])c2C)n1 Cc1noc(C[*:1])n1 Cc1c(cccc1[N+](=O)[O-])OC(=O)CO[*:1]
Cc1noc(COCC(=O)Oc2cccc([N+](=O)[O-])c2C)n1 Cc1noc(n1)[*:1] Cc1c(cccc1[N+](=O)[O-])OC(=O)COC[*:1]
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)o1 Cc1ccc(o1)[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)o1 Cc1ccc(C[*:1])o1 O=C1COc2ccc(cc2N1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)o1 Cc1ccc(CNC(=O)[*:1])o1 O=C1COc2ccc(cc2N1)S(=O)(=O)N1CCC(CC1)[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc3ccc(=O)oc3c2)cc1 NS(=O)(=O)[*:1] O=C(COc1ccc2ccc(=O)oc2c1)NCCc1ccc(cc1)[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)NCCCC3CCCC3)ccc21 C1CCC(C1)C[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)NCC[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)NCCCC3CCCC3)ccc21 C1CCC(C1)[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)NCCC[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)NCCCC3CCCC3)ccc21 C1CCC(C1)CC[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)NC[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)NCCCC3CCCC3)ccc21 C1CCC(C1)CCC[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)N[*:1]
CN(Cc1ccc(C(=O)N(C)C)[nH]1)CC1(c2ccc(Br)cc2)CC1 CN(C)C(=O)[*:1] CN(Cc1ccc([nH]1)[*:1])CC1(CC1)c1ccc(Br)cc1
CN(Cc1ccc(C(=O)N(C)C)[nH]1)CC1(c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] CN(Cc1ccc([nH]1)C(=O)N(C)C)CC1(CC1)[*:1]
CCC(CC)(CNC(=O)N1CCC[C@@](C)(c2ccccc2)C1)S(C)(=O)=O c1ccc(cc1)[*:1] CCC(CC)(CNC(=O)N1CCC[C@@](C)(C1)[*:1])S(C)(=O)=O
CCC(CC)(CNC(=O)N1CCC[C@@](C)(c2ccccc2)C1)S(C)(=O)=O CS(=O)(=O)[*:1] CCC(CC)(CNC(=O)N1CCC[C@](C)(C1)c1ccccc1)[*:1]
COc1c(Br)cccc1C[NH2+]Cc1ccco1 c1coc(c1)[*:1] COc1c(Br)cccc1C[NH2+]C[*:1]
Cc1cc(COC(=O)[C@H]2CCO[C@@H]2C)nc(N2CCCCC2)n1 C1CCN(CC1)[*:1] Cc1cc(COC(=O)[C@H]2CCO[C@@H]2C)nc(n1)[*:1]
CCOC(=O)c1sc(NC(=O)Cc2ccc(C)cc2C)c(C(=O)NC)c1C CNC(=O)[*:1] CCOC(=O)c1sc(NC(=O)Cc2ccc(C)cc2C)c(c1C)[*:1]
CCOC(=O)c1sc(NC(=O)Cc2ccc(C)cc2C)c(C(=O)NC)c1C Cc1ccc(C[*:1])c(C)c1 CCOC(=O)c1sc(NC(=O)[*:1])c(C(=O)NC)c1C
CCOC(=O)c1sc(NC(=O)Cc2ccc(C)cc2C)c(C(=O)NC)c1C CCOC(=O)[*:1] CNC(=O)c1c(NC(=O)Cc2ccc(C)cc2C)sc(c1C)[*:1]
CCOC(=O)c1sc(NC(=O)Cc2ccc(C)cc2C)c(C(=O)NC)c1C Cc1ccc(c(C)c1)[*:1] CCOC(=O)c1sc(NC(=O)C[*:1])c(C(=O)NC)c1C
COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 Fc1ccc(cc1)[*:1] COc1ccccc1NC(=O)COc1cccc(c1)-c1noc(n1)[*:1]
COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 COc1ccccc1[*:1] O=C(COc1cccc(c1)-c1noc(n1)-c1ccc(F)cc1)N[*:1]
CC(C)[C@H](Br)[C@@H]1CCCC1(C)C CC(C)[*:1] CC1(C)CCC[C@H]1[C@@H](Br)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)C(=O)N[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2F)C1 COC(=O)C(C)(C)[*:1] O=C(Nc1ccc(F)cc1F)C(=O)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2F)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(F)cc1F)[*:1]
COCc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)o1 COCc1ccc(o1)[*:1] O=C(Nc1ccc(F)cc1)C1CC[NH+](CC1)C[*:1]
COCc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)o1 Fc1ccc(cc1)[*:1] COCc1ccc(C[NH+]2CCC(CC2)C(=O)N[*:1])o1
COCc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)o1 COC[*:1] O=C(Nc1ccc(F)cc1)C1CC[NH+](CC1)Cc1ccc(o1)[*:1]
C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F)[NH+](C)C O=C([O-])[*:1] C[C@H](CNS(=O)(=O)c1ccc(cc1F)[*:1])[NH+](C)C
CNC(=O)c1cccnc1NC[C@H](C)Cn1cccn1 CNC(=O)[*:1] C[C@@H](CNc1ncccc1[*:1])Cn1cccn1
CNC(=O)c1cccnc1NC[C@H](C)Cn1cccn1 c1cnn(c1)C[*:1] CNC(=O)c1cccnc1NC[C@H](C)[*:1]
CNC(=O)c1cccnc1NC[C@H](C)Cn1cccn1 c1cnn(c1)[*:1] CNC(=O)c1cccnc1NC[C@H](C)C[*:1]
CC(C)n1cc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cn1 CC(C)[*:1] C[C@H](C(=O)Nc1cnn(c1)[*:1])[NH+]1CCCCCC1
O=C(c1ncccc1C(F)(F)F)N1CCO[C@H](c2ccco2)C1 c1coc(c1)[*:1] O=C(c1ncccc1C(F)(F)F)N1CCO[C@H](C1)[*:1]
O=C(c1ncccc1C(F)(F)F)N1CCO[C@H](c2ccco2)C1 FC(F)(F)[*:1] O=C(c1ncccc1[*:1])N1CCO[C@@H](C1)c1ccco1
Cc1cccc([C@H]2CCCN2C(=O)N[C@@H](C)c2nnc3ccccn23)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)N1CCC[C@@H]1[*:1])c1nnc2ccccn12
Cc1ccnc(C(=O)c2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccnc(c1)C(=O)c1ccccc1[*:1]
OCC[C@H]1CN(c2ncnc3c2CC[NH2+]CC3)CCN1Cc1ccoc1 c1cc(co1)C[*:1] OCC[C@H]1CN(CCN1[*:1])c1ncnc2CC[NH2+]CCc21
OCC[C@H]1CN(c2ncnc3c2CC[NH2+]CC3)CCN1Cc1ccoc1 c1cc(co1)[*:1] OCC[C@H]1CN(CCN1C[*:1])c1ncnc2CC[NH2+]CCc21
OCC[C@H]1CN(c2ncnc3c2CC[NH2+]CC3)CCN1Cc1ccoc1 OCC[*:1] c1nc2CC[NH2+]CCc2c(n1)N1CCN(Cc2ccoc2)[C@H](C1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1 CCC(=O)N[*:1] O=S(=O)([N-]c1cccc(F)c1F)c1ccc(cc1)[*:1]
COC(=O)N1CCN(Cc2[nH]cc(-c3cccc(Br)c3)[nH+]2)CC1 Brc1cccc(c1)[*:1] COC(=O)N1CCN(CC1)Cc1[nH]cc([nH+]1)[*:1]
COc1cccc2c1OCC(C(=O)N[C@@H](c1ccccn1)C(C)C)=C2 c1ccc(nc1)[*:1] COc1cccc2C=C(COc21)C(=O)N[C@@H](C(C)C)[*:1]
COc1cccc2c1OCC(C(=O)N[C@@H](c1ccccn1)C(C)C)=C2 CC(C)[*:1] COc1cccc2C=C(COc21)C(=O)N[C@@H](c1ccccn1)[*:1]
Cn1cnnc1S/C=C(\[O-])N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1cnnc1S/C=C(\[O-])N1CCN(CC1)[*:1]
Cn1cnnc1S/C=C(\[O-])N1CCN(c2ccccc2)CC1 Cn1cnnc1[*:1] [O-]/C(=C\S[*:1])N1CCN(CC1)c1ccccc1
CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C Clc1ccc(cc1)[*:1] CC[C@@H](O[*:1])C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C Clc1ccc(cc1)O[*:1] CC[C@@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)[*:1]
C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)c1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)N[*:1]
C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 C1CCC(C1)[*:1] C[C@H](Sc1nnc(-c2ccccc2Cl)n1[*:1])C(=O)Nc1ccc(cc1)C(N)=O
C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 Clc1ccccc1[*:1] C[C@H](Sc1nnc(n1C1CCCC1)[*:1])C(=O)Nc1ccc(cc1)C(N)=O
C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1ccc(cc1)[*:1]
COC[C@@H]1CCCN(C(=O)Cc2cccc(OC)c2)C1 COC[*:1] COc1cccc(c1)CC(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(C(=O)[C@H](C)Sc2nc3sc(C)c(C)c3c(=O)n2C)cc1 Cc1ccc(cc1)[*:1] Cc1sc2nc(S[C@@H](C)C(=O)[*:1])n(C)c(=O)c2c1C
O=C(/C=C/c1cccnc1)Nc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(/C=C/c1cccnc1)Nc1ccc(cc1)[*:1]
O=C(/C=C/c1cccnc1)Nc1ccc(-n2cnnn2)cc1 c1cncc(c1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)-n1cnnn1
Cc1ccoc1C(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 Cc1ccoc1[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)[*:1])Nc1ccc(cc1)C(F)(F)F
Cc1ccoc1C(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 FC(F)(F)[*:1] Cc1ccoc1C(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(cc2)[*:1])C1
Cc1cc(Cl)ccc1OCCCNC(=O)NC[C@@H]1CCC[C@H](O)C1 Cc1cc(Cl)ccc1[*:1] O=C(NCCCO[*:1])NC[C@@H]1CCC[C@H](O)C1
C[C@H](C#N)CN1C(=O)Cc2ccccc2C1=O C[C@H](C#N)C[*:1] O=C1Cc2ccccc2C(=O)N1[*:1]
Cc1c(NC(=S)NC(=O)c2cccc3ccccc23)cccc1-c1nn2c(C)nnc2s1 c1ccc2c(cccc2c1)[*:1] Cc1c(cccc1-c1nn2c(C)nnc2s1)NC(=S)NC(=O)[*:1]
CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)c1cccc(C)c1 CC(=O)N[*:1] Cc1cccc(c1)[C@H](C)CNC(=O)[C@H](C)[*:1]
CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)c1cccc(C)c1 CC(=O)N[C@@H](C)[*:1] Cc1cccc(c1)[C@H](C)CNC(=O)[*:1]
C[C@@H](SC1CCOCC1)c1ccc(C(=O)[O-])o1 O=C([O-])[*:1] C[C@@H](SC1CCOCC1)c1ccc(o1)[*:1]
Cc1cc(NC(=O)CNc2cccc(-c3nnnn3C)c2)no1 Cc1cc(no1)[*:1] Cn1nnnc1-c1cccc(c1)NCC(=O)N[*:1]
Cc1cc(NC(=O)CNc2cccc(-c3nnnn3C)c2)no1 Cn1nnnc1[*:1] Cc1cc(no1)NC(=O)CNc1cccc(c1)[*:1]
O=c1[nH]c(CNc2ccc(Br)cc2)nn1Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=c1[nH]c(CNc2ccc(Br)cc2)nn1C[*:1]
O=c1[nH]c(CNc2ccc(Br)cc2)nn1Cc1cccc(Cl)c1 Brc1ccc(cc1)[*:1] O=c1[nH]c(CN[*:1])nn1Cc1cccc(Cl)c1
C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)[*:1]
Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2ccc(F)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C1=C(NC(=S)N[C@@H]1c1ccc(F)cc1)[*:1]
Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])C1=C(NC(=S)N[C@@H]1c1ccc(F)cc1)c1ccccc1
Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2ccc(F)cc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] Fc1ccc(cc1)[C@H]1NC(=S)NC(=C1[*:1])c1ccccc1
Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C1=C(NC(=S)N[C@H]1[*:1])c1ccccc1
CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC1CC1 CC(C)C[*:1] O=C(NC1CC1)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)[*:1]
CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC1CC1 CC(C)[*:1] O=C(NC1CC1)[C@H](C[*:1])NC(=O)N1CCn2c1nc1ccccc12
CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC1CC1 C1CC1[*:1] CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[*:1]
CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC1CC1 O=C(NC1CC1)[*:1] CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)[*:1]
CC(C)[C@H](CNc1cc(C(F)(F)F)nc2ccccc12)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@@H](CNc1cc(nc2ccccc12)C(F)(F)F)[*:1]
CC(C)[C@H](CNc1cc(C(F)(F)F)nc2ccccc12)[NH+](C)C FC(F)(F)[*:1] CC(C)[C@H](CNc1cc(nc2ccccc12)[*:1])[NH+](C)C
Cc1noc(C)c1[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OCO2 Cc1noc(C)c1[*:1] O=C(Nc1ccc2OCOc2c1)N1CCC[C@@H]1[*:1]
O=C([C@@H]1CCCN(c2nc3ccccc3cc2CO)C1)N1CCCC1 O=C(N1CCCC1)[*:1] OCc1cc2ccccc2nc1N1CCC[C@H](C1)[*:1]
CCOC(=O)/C(C#N)=C/NCC(=O)Nc1ccc(Br)cc1 CCOC(=O)[*:1] N#CC(=CNCC(=O)Nc1ccc(Br)cc1)[*:1]
CCOC(=O)/C(C#N)=C/NCC(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCOC(=O)/C(C#N)=C/NCC(=O)N[*:1]
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 FC(F)(F)[*:1] Cc1nc(ccc1C(=O)Nc1cccc(c1)S(=O)(=O)N(C)c1ccccc1)[*:1]
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1nc(ccc1C(=O)Nc1cccc(c1)S(=O)(=O)N(C)[*:1])C(F)(F)F
Cc1ccc(N)cc1N1C[C@@H](C(N)=O)CC1=O NC(=O)[*:1] Cc1ccc(N)cc1N1C[C@@H](CC1=O)[*:1]
Cn1ccnc1-c1sc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)nc1-c1ccccc1 Cn1ccnc1[*:1] O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1nc(-c2ccccc2)c(s1)[*:1]
Cn1ccnc1-c1sc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1-c1sc(nc1[*:1])NC(=O)C[C@@H]1CCS(=O)(=O)C1
CCCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)c1 CCCNC(=O)[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)c1 CCC[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(c1)C(=O)N[*:1]
C=C(Cl)CN1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 C[C@H]1C[C@@H]1[*:1] C=C(Cl)CN1CCN(CC1)C(=O)[*:1]
C=C(Cl)CN1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 C=C(Cl)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C[*:1]
C=C(Cl)CN1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 C=C(Cl)C[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)[*:1]
CSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@H]2C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@H]2C(=O)N[*:1]
CC1(C)CCC[C@@H]1Nc1[nH+]c2c(cc1C(=O)[O-])CCC2 O=C([O-])[*:1] CC1(C)CCC[C@@H]1Nc1[nH+]c2CCCc2cc1[*:1]
C/C(=C\C(=O)Nc1ccc(Cl)cn1)NNC(=O)c1cccc2ccccc12 Clc1ccc(nc1)[*:1] C/C(=C\C(=O)N[*:1])NNC(=O)c1cccc2ccccc12
Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(C)nc(n1)NC1=NCC(=O)N1[*:1]
C=CCN(CC=C)S(=O)(=O)c1cccc2cnccc12 C=CC[*:1] C=CCN(S(=O)(=O)c1cccc2cnccc12)[*:1]
CC[C@@H](C)NC(=O)c1cncc(C(=O)N[C@H](C)CC)c1 CC[C@@H](C)[*:1] CC[C@@H](C)NC(=O)c1cncc(c1)C(=O)N[*:1]
Cc1cccc(Nc2nc(C)c(CCO)c(OCC(=O)[O-])n2)c1 OCC[*:1] Cc1cccc(c1)Nc1nc(C)c(c(n1)OCC(=O)[O-])[*:1]
Cc1cccc(Nc2nc(C)c(CCO)c(OCC(=O)[O-])n2)c1 O=C([O-])C[*:1] Cc1cccc(c1)Nc1nc(C)c(CCO)c(n1)O[*:1]
Cc1cccc(Nc2nc(C)c(CCO)c(OCC(=O)[O-])n2)c1 O=C([O-])CO[*:1] Cc1cccc(c1)Nc1nc(C)c(CCO)c(n1)[*:1]
Cc1cccc(Nc2nc(C)c(CCO)c(OCC(=O)[O-])n2)c1 Cc1cccc(c1)[*:1] Cc1nc(nc(OCC(=O)[O-])c1CCO)N[*:1]
Cc1cccc(Nc2nc(C)c(CCO)c(OCC(=O)[O-])n2)c1 O=C([O-])[*:1] Cc1cccc(c1)Nc1nc(C)c(CCO)c(n1)OC[*:1]
CCN(Cc1cccc(C)n1)S(=O)(=O)[C@H](C)C(N)=S NC(=S)[*:1] CCN(Cc1cccc(C)n1)S(=O)(=O)[C@H](C)[*:1]
OC[C@@]1([NH2+]C2CC2)CCC[C@H](n2cc(Cl)cn2)C1 Clc1cnn(c1)[*:1] OC[C@]1(CCC[C@H](C1)[*:1])[NH2+]C1CC1
OC[C@@]1([NH2+]C2CC2)CCC[C@H](n2cc(Cl)cn2)C1 C1CC1[*:1] OC[C@]1(CCC[C@@H](C1)n1cc(Cl)cn1)[NH2+][*:1]
Cn1c(COc2ccc(C3CCCCC3)cc2)nn(C[NH+]2CCC3(CC2)OCCO3)c1=S C1CCC(CC1)[*:1] Cn1c(COc2ccc(cc2)[*:1])nn(C[NH+]2CCC3(CC2)OCCO3)c1=S
Cc1cc(=O)c(C(=O)Nc2nnc(C3CC3)s2)nn1-c1ccccc1Cl C1CC1[*:1] Cc1cc(=O)c(nn1-c1ccccc1Cl)C(=O)Nc1nnc(s1)[*:1]
Cc1cc(=O)c(C(=O)Nc2nnc(C3CC3)s2)nn1-c1ccccc1Cl Clc1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)Nc1nnc(s1)C1CC1
Cc1cc(=O)c(C(=O)Nc2nnc(C3CC3)s2)nn1-c1ccccc1Cl C1CC1c1nnc(s1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1Cl)C(=O)N[*:1]
COc1cccc(CNC(=O)COc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)CO[*:1]
O=C(C[S@](=O)Cc1ccc(F)cc1)Nc1ccc2c(c1)OCCCO2 Fc1ccc(cc1)[*:1] O=C(C[S@](=O)C[*:1])Nc1ccc2OCCCOc2c1
O=C(C[S@](=O)Cc1ccc(F)cc1)Nc1ccc2c(c1)OCCCO2 Fc1ccc(cc1)C[*:1] O=C(C[S@](=O)[*:1])Nc1ccc2OCCCOc2c1
C[C@@H](CCCCl)[NH2+]CCC(C)(C)C CC(C)(C)[*:1] C[C@@H](CCCCl)[NH2+]CC[*:1]
C[C@@H](CCCCl)[NH2+]CCC(C)(C)C ClCCC[*:1] C[C@@H]([NH2+]CCC(C)(C)C)[*:1]
C[C@@H](CCCCl)[NH2+]CCC(C)(C)C ClCC[*:1] C[C@@H](C[*:1])[NH2+]CCC(C)(C)C
CC(C)c1nsc(N2CCC(c3nc4ccccc4s3)CC2)n1 CC(C)[*:1] c1ccc2sc(nc2c1)C1CCN(CC1)c1nc(ns1)[*:1]
N#C[C@@H](C(=O)Nc1ccccc1I)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@@H](C(=O)Nc1ccccc1I)[*:1]
CC[C@@H]1CCCC[C@H]1OC(=O)CNC(=O)C(C)(C)C CC(C)(C)[*:1] CC[C@@H]1CCCC[C@H]1OC(=O)CNC(=O)[*:1]
CCOCCN(C)C(=O)C(=O)Nc1cccnc1-c1ccccc1 CCOCC[*:1] CN(C(=O)C(=O)Nc1cccnc1-c1ccccc1)[*:1]
CCOCCN(C)C(=O)C(=O)Nc1cccnc1-c1ccccc1 CCO[*:1] CN(CC[*:1])C(=O)C(=O)Nc1cccnc1-c1ccccc1
CCOCCN(C)C(=O)C(=O)Nc1cccnc1-c1ccccc1 CCOC[*:1] CN(C[*:1])C(=O)C(=O)Nc1cccnc1-c1ccccc1
CCOCCN(C)C(=O)C(=O)Nc1cccnc1-c1ccccc1 c1ccc(cc1)[*:1] CCOCCN(C)C(=O)C(=O)Nc1cccnc1[*:1]
O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(c1ccc(cc1)S(=O)(=O)NC[C@@H]1CCCO1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)O[C@H](C)c1nccs1)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)O[C@H](C)c1nccs1)[*:1]
C[C@@H](C(=O)O[C@H](C)c1nccs1)c1cccs1 c1csc(n1)[*:1] C[C@@H](C(=O)O[C@H](C)[*:1])c1cccs1
Cc1cc(C)c(S(=O)(=O)N2CCC(n3cnc4cccnc43)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=S(=O)(N1CCC(CC1)n1cnc2cccnc21)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(n3cnc4cccnc43)CC2)c(C)c1 c1cnc2c(c1)ncn2[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccc([C@@H](C/[NH+]=C(/N)N[C@H]2CCOc3ccccc32)[NH+]2CCCC2)o1 Cc1ccc(o1)[*:1] N/C(N[C@H]1CCOc2ccccc21)=[NH+]/C[C@@H]([NH+]1CCCC1)[*:1]
COc1cc(N)c(NC(=O)C[C@H]2CCCCO2)cc1OC C1CC[C@H](C[*:1])OC1 COc1cc(N)c(cc1OC)NC(=O)[*:1]
COc1cc(N)c(NC(=O)C[C@H]2CCCCO2)cc1OC C1CC[C@@H](OC1)[*:1] COc1cc(N)c(cc1OC)NC(=O)C[*:1]
Cc1nsc(N)c1-c1nc2cccc(Cl)c2n1C1CC1 C1CC1[*:1] Cc1nsc(N)c1-c1nc2cccc(Cl)c2n1[*:1]
CCCCc1noc([C@H](C)N2CCN(C(=O)COC)CC2)n1 CCC[*:1] COCC(=O)N1CCN(CC1)[C@@H](C)c1nc(C[*:1])no1
CCCCc1noc([C@H](C)N2CCN(C(=O)COC)CC2)n1 CCCC[*:1] COCC(=O)N1CCN(CC1)[C@@H](C)c1nc(no1)[*:1]
CCCCc1noc([C@H](C)N2CCN(C(=O)COC)CC2)n1 COC[*:1] CCCCc1noc(n1)[C@H](C)N1CCN(CC1)C(=O)[*:1]
O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1OCC(F)F FC(F)[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1OC[*:1]
O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1OCC(F)F FC(F)C[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1O[*:1]
O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1OCC(F)F FC(F)CO[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1[*:1]
CC(C)C(=O)Nc1c(-c2cccs2)nc2ccccn12 CC(C)[*:1] O=C(Nc1c(nc2ccccn12)-c1cccs1)[*:1]
CC(C)C(=O)Nc1c(-c2cccs2)nc2ccccn12 CC(C)C(=O)N[*:1] c1csc(c1)-c1nc2ccccn2c1[*:1]
CC(C)C(=O)Nc1c(-c2cccs2)nc2ccccn12 c1csc(c1)[*:1] CC(C)C(=O)Nc1c(nc2ccccn12)[*:1]
Cc1c(C=O)c(N2CCOCC2)n(C)c(=O)c1C#N C1CN(CCO1)[*:1] Cc1c(C=O)c(n(C)c(=O)c1C#N)[*:1]
Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1CCCN1C(=O)[*:1]
Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 Fc1ccccc1[*:1] Fc1ccc(cc1)[C@@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@@H]2[*:1]
Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 Fc1ccc(cc1)[*:1] Fc1ccccc1[C@@H]1Oc2ccccc2C2N=C3N=CNN3[C@@H](C=21)[*:1]
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)NC(=O)Nc1ccccc1)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(CC(=O)NC(=O)Nc3ccccc3)[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)NC(=O)Nc1ccccc1)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(CC(=O)NC(=O)N[*:1])[C@@H](c3ccccc3)c2cc1OC
O=S(=O)(Oc1cccnc1Cl)c1c[nH]c2nccc(Cl)c12 Clc1ncccc1[*:1] O=S(=O)(O[*:1])c1c[nH]c2nccc(Cl)c12
COC(=O)N1CC[C@H](NC(=O)Cc2ccc[nH]2)C1 c1c[nH]c(c1)[*:1] COC(=O)N1CC[C@@H](C1)NC(=O)C[*:1]
COC(=O)N1CC[C@H](NC(=O)Cc2ccc[nH]2)C1 c1c[nH]c(c1)C[*:1] COC(=O)N1CC[C@@H](C1)NC(=O)[*:1]
COC(=O)CCN1CCN(C(=O)c2cc(C(C)=O)c[nH]2)[C@H](C)C1 COC(=O)[*:1] CC(=O)c1c[nH]c(c1)C(=O)N1CCN(CC[*:1])C[C@H]1C
COC(=O)CCN1CCN(C(=O)c2cc(C(C)=O)c[nH]2)[C@H](C)C1 COC(=O)C[*:1] CC(=O)c1c[nH]c(c1)C(=O)N1CCN(C[C@H]1C)C[*:1]
COC(=O)CCN1CCN(C(=O)c2cc(C(C)=O)c[nH]2)[C@H](C)C1 COC(=O)CC[*:1] CC(=O)c1c[nH]c(c1)C(=O)N1CCN(C[C@H]1C)[*:1]
COC(=O)CCN1CCN(C(=O)c2cc(C(C)=O)c[nH]2)[C@H](C)C1 CC(=O)[*:1] COC(=O)CCN1CCN(C(=O)c2cc(c[nH]2)[*:1])[C@H](C)C1
Cc1cccc(CN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(C(=O)[C@@H]1CC(=O)N(CC2CC2)C1)[*:1]
Cc1cccc(CN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(C(=O)[C@@H]1CC(=O)N(C1)C[*:1])C1CC1
Cc1cccc(CN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C2CC2)c1 C1CC1C[*:1] Cc1cccc(c1)CN(C(=O)[C@@H]1CC(=O)N(C1)[*:1])C1CC1
Cc1cccc(CN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C2CC2)c1 Cc1cccc(c1)[*:1] O=C1C[C@H](CN1CC1CC1)C(=O)N(C[*:1])C1CC1
Cc1cccc(CN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C2CC2)c1 Cc1cccc(c1)C[*:1] O=C1C[C@H](CN1CC1CC1)C(=O)N(C1CC1)[*:1]
COc1ccccc1N1CCN(CC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O COc1ccccc1[*:1] O=C(CN1CCN(C1=O)[*:1])N1CCN(CC1)c1ccc(Cl)c(Cl)c1
COc1ccccc1N1CCN(CC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O Clc1ccc(cc1Cl)[*:1] COc1ccccc1N1CCN(CC(=O)N2CCN(CC2)[*:1])C1=O
C[C@H](CNC(=O)C1CCN(c2cnccn2)CC1)c1c(Cl)cccc1Cl c1cnc(cn1)[*:1] C[C@H](CNC(=O)C1CCN(CC1)[*:1])c1c(Cl)cccc1Cl
C[C@H](CNC(=O)C1CCN(c2cnccn2)CC1)c1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] C[C@H](CNC(=O)C1CCN(CC1)c1cnccn1)[*:1]
O=C(N[C@@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(N[C@@H](Cc1c[nH]c2ccccc12)c1nnc2CCCCCn21)[*:1]
O=C(N[C@@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccc(Cl)cc1 C1CCc2nnc(n2CC1)[*:1] O=C(N[C@@H](Cc1c[nH]c2ccccc12)[*:1])c1ccc(Cl)cc1
O=C(N[C@@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccc(Cl)cc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@@H](C[*:1])c1nnc2CCCCCn21)c1ccc(Cl)cc1
O=C(N[C@@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccc(Cl)cc1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(N[C@@H](c1nnc2CCCCCn21)[*:1])c1ccc(Cl)cc1
O=C(N[C@@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 c1ccc2c(c[nH]c2c1)C[C@@H](c1nnc2CCCCCn21)[*:1]
COc1ccc([C@@H](NC(=O)C(=O)Nc2cc(F)ccc2C)C2CC2)cc1 Cc1ccc(F)cc1[*:1] COc1ccc(cc1)[C@@H](NC(=O)C(=O)N[*:1])C1CC1
COc1ccc([C@@H](NC(=O)C(=O)Nc2cc(F)ccc2C)C2CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C1CC1)[*:1]
COc1ccc([C@@H](NC(=O)C(=O)Nc2cc(F)ccc2C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1C)[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)s1 CS(=O)(=O)[*:1] Cc1nc(C)c(s1)C(=O)Nc1ccc(C)c(c1)[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)s1 Cc1nc(C)c(s1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)[*:1]
Cc1nc(N)sc1C(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 Cc1nc(N)sc1C(=O)N1CCC(CC1)c1[nH+]ccn1[*:1]
Cc1nc(N)sc1C(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 c1ccc(nc1)[*:1] Cc1nc(N)sc1C(=O)N1CCC(CC1)c1[nH+]ccn1C[*:1]
Cc1nc(N)sc1C(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 Cc1nc(N)sc1[*:1] O=C(N1CCC(CC1)c1[nH+]ccn1Cc1ccccn1)[*:1]
O=C([O-])[C@H](CCc1ccccn1)c1ccccc1Br c1ccc(nc1)[*:1] O=C([O-])[C@H](CC[*:1])c1ccccc1Br
O=C([O-])[C@H](CCc1ccccn1)c1ccccc1Br O=C([O-])[*:1] Brc1ccccc1[C@@H](CCc1ccccn1)[*:1]
O=C(N[C@H]1CCC[C@H]1Oc1ccccc1)N1CCC2(CCOCC2)C1 c1ccc(cc1)O[*:1] O=C(N[C@H]1CCC[C@@H]1[*:1])N1CCC2(CCOCC2)C1
O=C(N[C@H]1CCC[C@H]1Oc1ccccc1)N1CCC2(CCOCC2)C1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCC[C@H]1O[*:1])N1CCC2(CCOCC2)C1
CN(Cc1cccc2ccccc12)C(=O)NCCc1ccccn1 c1ccc(C[*:1])nc1 CN(Cc1cccc2ccccc12)C(=O)NC[*:1]
CN(Cc1cccc2ccccc12)C(=O)NCCc1ccccn1 c1ccc(CC[*:1])nc1 CN(Cc1cccc2ccccc12)C(=O)N[*:1]
CN(Cc1cccc2ccccc12)C(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] CN(Cc1cccc2ccccc12)C(=O)NCC[*:1]
COC[C@@H]1CCCN(C(=O)NC(c2ccccc2)c2ccccc2)C1 c1ccc(cc1)[*:1] COC[C@@H]1CCCN(C1)C(=O)NC(c1ccccc1)[*:1]
COC[C@@H]1CCCN(C(=O)NC(c2ccccc2)c2ccccc2)C1 COC[*:1] O=C(NC(c1ccccc1)c1ccccc1)N1CCC[C@H](C1)[*:1]
CCC(CC)[C@@H](C[NH3+])Nc1cc(OC)ccc1F CCC(CC)[*:1] COc1ccc(F)c(c1)N[C@H](C[NH3+])[*:1]
O=c1ccc([N+](=O)[O-])cn1CCN1CCc2ccc(Cl)cc21 O=[N+]([O-])[*:1] O=c1ccc(cn1CCN1CCc2ccc(Cl)cc21)[*:1]
Cc1cc(N2CCCC2)[nH+]c2ccc(NC(=O)CCC(=O)N(C)C3CCCCC3)cc12 C1CCC(CC1)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)CCC(=O)N(C)[*:1])N1CCCC1
Cc1cc(N2CCCC2)[nH+]c2ccc(NC(=O)CCC(=O)N(C)C3CCCCC3)cc12 CN(C(=O)[*:1])C1CCCCC1 Cc1cc([nH+]c2ccc(cc12)NC(=O)CC[*:1])N1CCCC1
Cc1cc(N2CCCC2)[nH+]c2ccc(NC(=O)CCC(=O)N(C)C3CCCCC3)cc12 C1CCN(C1)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)CCC(=O)N(C)C1CCCCC1)[*:1]
COc1ccc(C(=O)CNC(=O)c2cn(Cc3ccccn3)c(=O)c3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(NCC(=O)[*:1])c1cn(Cc2ccccn2)c(=O)c2ccccc12
COc1ccc(C(=O)CNC(=O)c2cn(Cc3ccccn3)c(=O)c3ccccc23)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)C(=O)CNC(=O)c1cn(C[*:1])c(=O)c2ccccc12
COc1ccc(C(=O)CNC(=O)c2cn(Cc3ccccn3)c(=O)c3ccccc23)cc1 COc1ccc(cc1)C(=O)[*:1] O=C(NC[*:1])c1cn(Cc2ccccn2)c(=O)c2ccccc12
COc1ccc(C(=O)CNC(=O)c2cn(Cc3ccccn3)c(=O)c3ccccc23)cc1 c1ccc(C[*:1])nc1 COc1ccc(cc1)C(=O)CNC(=O)c1cn(c(=O)c2ccccc12)[*:1]
Cn1c(C(=O)N2CCCCC2)cc2c1CCN(Cc1cccc(F)c1)C2 Fc1cccc(c1)C[*:1] Cn1c(cc2CN(CCc21)[*:1])C(=O)N1CCCCC1
Cn1c(C(=O)N2CCCCC2)cc2c1CCN(Cc1cccc(F)c1)C2 Fc1cccc(c1)[*:1] Cn1c(cc2CN(CCc21)C[*:1])C(=O)N1CCCCC1
Cn1c(C(=O)N2CCCCC2)cc2c1CCN(Cc1cccc(F)c1)C2 O=C(N1CCCCC1)[*:1] Cn1c(cc2CN(CCc21)Cc1cccc(F)c1)[*:1]
CNC(=O)CC1CC[NH+](Cn2nc3n(c2=S)CCCCC3)CC1 CNC(=O)[*:1] S=c1n(C[NH+]2CCC(CC2)C[*:1])nc2CCCCCn21
CNC(=O)CC1CC[NH+](Cn2nc3n(c2=S)CCCCC3)CC1 CNC(=O)C[*:1] S=c1n(C[NH+]2CCC(CC2)[*:1])nc2CCCCCn21
Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)nc([O-])c1C c1csc(c1)[*:1] Cc1nc(nc([O-])c1C)-n1nc(cc1NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C)[*:1]
Cn1nnnc1SC[C@H](C#N)CCC#N N#CC[*:1] Cn1nnnc1SC[C@H](C#N)C[*:1]
Cn1nnnc1SC[C@H](C#N)CCC#N N#CCC[*:1] Cn1nnnc1SC[C@H](C#N)[*:1]
C[C@@H]1CC(C(=O)NCC(C)(C)c2ccncc2)C[C@@H](C)O1 c1cc(ccn1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCC(C)(C)[*:1]
COc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 COc1ccc(cc1)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)N[*:1]
COc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 N#Cc1cccnc1[*:1] COc1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
CC(C)COC[C@@H](O)CNC(=O)C1CCCC1 CC(C)CO[*:1] O=C(NC[C@H](O)C[*:1])C1CCCC1
CC(C)COC[C@@H](O)CNC(=O)C1CCCC1 CC(C)C[*:1] O=C(NC[C@H](O)CO[*:1])C1CCCC1
CC(C)COC[C@@H](O)CNC(=O)C1CCCC1 CC(C)[*:1] O=C(NC[C@H](O)COC[*:1])C1CCCC1
CC(C)COC[C@@H](O)CNC(=O)C1CCCC1 C1CCC(C1)[*:1] CC(C)COC[C@@H](O)CNC(=O)[*:1]
COCCn1c([O-])c(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O Clc1ccc(c(Cl)c1)[*:1] COCCn1c([O-])c(C(=O)[C@@H](C)O[*:1])c(C)c(C#N)c1=O
COCCn1c([O-])c(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O COCC[*:1] Cc1c(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c([O-])n(c(=O)c1C#N)[*:1]
COCCn1c([O-])c(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O COC[*:1] Cc1c(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c([O-])n(C[*:1])c(=O)c1C#N
COCCn1c([O-])c(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O Clc1ccc(O[*:1])c(Cl)c1 COCCn1c([O-])c(C(=O)[C@@H](C)[*:1])c(C)c(C#N)c1=O
CCN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1cccc(Cl)c1
CCN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(Br)cc1 Clc1cccc(c1)[*:1] CCN1C(=O)C[C@H](SC1=Nc1ccc(Br)cc1)C(=O)N[*:1]
Cc1cccc(OC[C@H](O)CN2CCN(c3nccs3)CC2)c1 Cc1cccc(c1)[*:1] O[C@@H](CO[*:1])CN1CCN(CC1)c1nccs1
Cc1cccc(OC[C@H](O)CN2CCN(c3nccs3)CC2)c1 c1csc(n1)[*:1] Cc1cccc(c1)OC[C@H](O)CN1CCN(CC1)[*:1]
Cc1cc(NCCc2noc([C@H]3CCCO3)n2)nc(-c2ccccc2O)n1 Oc1ccccc1[*:1] Cc1cc(nc(n1)[*:1])NCCc1noc(n1)[C@H]1CCCO1
CCOC(=O)c1noc(CCCOC)n1 COCC[*:1] CCOC(=O)c1noc(C[*:1])n1
CCOC(=O)c1noc(CCCOC)n1 COC[*:1] CCOC(=O)c1noc(CC[*:1])n1
CCOC(=O)c1noc(CCCOC)n1 COCCC[*:1] CCOC(=O)c1noc(n1)[*:1]
CCOC(=O)c1noc(CCCOC)n1 CCOC(=O)[*:1] COCCCc1nc(no1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)C[C@@H]1SC(N)=NC1=O c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)C[C@@H]1SC(N)=NC1=O
C[C@@H](Cc1cccs1)NC(=O)C[C@@H]1SC(N)=NC1=O c1csc(c1)C[*:1] C[C@@H](NC(=O)C[C@@H]1SC(N)=NC1=O)[*:1]
Cc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)CC2)cn1 Cc1ncc(cn1)[*:1] O=C(Nc1cccc(c1)-c1cc2ccccc2[nH]1)C1CC[NH+](CC1)C[*:1]
Cc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)CC2)cn1 c1ccc2[nH]c(cc2c1)[*:1] Cc1ncc(cn1)C[NH+]1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
Cc1cccn2cc(CCNC(=O)c3cnn(-c4ccncc4)c3C)[nH+]c12 c1cc(ccn1)[*:1] Cc1cccn2cc(CCNC(=O)c3cnn(c3C)[*:1])[nH+]c12
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(c1NC(=O)[C@@H](C)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)c1ccccc1 CC(C)[*:1] Cc1cccc(c1NC(=O)[C@@H](C)c1ccccc1)[*:1]
C/C=C(\C)C(=O)Nc1ccc(C)c(OCC)c1 CCO[*:1] C/C=C(\C)C(=O)Nc1ccc(C)c(c1)[*:1]
C/C=C(\C)C(=O)Nc1ccc(C)c(OCC)c1 CC=C(C)[*:1] CCOc1cc(ccc1C)NC(=O)[*:1]
Cc1cc(NC(=O)C[NH+]2CCCN(C(=O)C(C)(C)C)CC2)on1 CC(C)(C)[*:1] Cc1cc(NC(=O)C[NH+]2CCCN(CC2)C(=O)[*:1])on1
Cc1cc(NC(=O)C[NH+]2CCCN(C(=O)C(C)(C)C)CC2)on1 Cc1cc(on1)[*:1] CC(C)(C)C(=O)N1CCC[NH+](CC1)CC(=O)N[*:1]
O=C(Cc1cccs1)NC[C@@H]1Cc2ccccc2O1 c1csc(c1)[*:1] O=C(C[*:1])NC[C@@H]1Cc2ccccc2O1
O=C(Cc1cccs1)NC[C@@H]1Cc2ccccc2O1 c1csc(c1)C[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)[*:1]
Cc1ccc(F)c(NC(=O)N2CCC(c3nc(C)no3)CC2)c1 Cc1noc(n1)[*:1] Cc1ccc(F)c(c1)NC(=O)N1CCC(CC1)[*:1]
Cc1cc(C(=O)N2CCC(C(N)=O)CC2)c(C)n1CC(F)(F)F NC(=O)[*:1] Cc1cc(C(=O)N2CCC(CC2)[*:1])c(C)n1CC(F)(F)F
Cc1cc(C(=O)N2CCC(C(N)=O)CC2)c(C)n1CC(F)(F)F FC(F)(F)C[*:1] Cc1cc(C(=O)N2CCC(CC2)C(N)=O)c(C)n1[*:1]
Cc1cc(C(=O)N2CCC(C(N)=O)CC2)c(C)n1CC(F)(F)F FC(F)(F)[*:1] Cc1cc(C(=O)N2CCC(CC2)C(N)=O)c(C)n1C[*:1]
Cc1ncc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)s1 Cc1ncc(s1)[*:1] Clc1cc(cc2OCCCOc12)C[NH2+]C[*:1]
Cc1ncc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)s1 Cc1ncc(C[*:1])s1 Clc1cc(cc2OCCCOc12)C[NH2+][*:1]
C[C@@H](C(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)n1cccc1 C[C@@H](n1cccc1)[*:1] O=C(N1C[C@H](O)C[C@@H]1c1cccc(c1)C(F)(F)F)[*:1]
C[C@@H](C(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)n1cccc1 c1ccn(c1)[*:1] C[C@@H](C(=O)N1C[C@H](O)C[C@@H]1c1cccc(c1)C(F)(F)F)[*:1]
C[C@@H](C(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)n1cccc1 FC(F)(F)[*:1] C[C@@H](C(=O)N1C[C@H](O)C[C@@H]1c1cccc(c1)[*:1])n1cccc1
O=C(CSCC(F)(F)F)N1CCO[C@H](c2ccc(Cl)cc2)C1 FC(F)(F)CSC[*:1] O=C(N1CCO[C@@H](C1)c1ccc(Cl)cc1)[*:1]
O=C(CSCC(F)(F)F)N1CCO[C@H](c2ccc(Cl)cc2)C1 FC(F)(F)[*:1] O=C(CSC[*:1])N1CCO[C@@H](C1)c1ccc(Cl)cc1
O=C(CSCC(F)(F)F)N1CCO[C@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(CSCC(F)(F)F)N1CCO[C@H](C1)[*:1]
O=C(CSCC(F)(F)F)N1CCO[C@H](c2ccc(Cl)cc2)C1 FC(F)(F)CS[*:1] O=C(C[*:1])N1CCO[C@@H](C1)c1ccc(Cl)cc1
O=C(CSCC(F)(F)F)N1CCO[C@H](c2ccc(Cl)cc2)C1 FC(F)(F)C[*:1] O=C(CS[*:1])N1CCO[C@@H](C1)c1ccc(Cl)cc1
CCOCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 CCOC[*:1] CN1CCO[C@@H](C1)[C@@H](NC(=O)N(C)C[*:1])c1ccc(Cl)cc1
CCOCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 Clc1ccc(cc1)[*:1] CCOCCN(C)C(=O)N[C@@H]([C@@H]1CN(C)CCO1)[*:1]
CCOCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 CCO[*:1] CN1CCO[C@@H](C1)[C@@H](NC(=O)N(C)CC[*:1])c1ccc(Cl)cc1
CCOCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 CCOCC[*:1] CN1CCO[C@@H](C1)[C@@H](NC(=O)N(C)[*:1])c1ccc(Cl)cc1
CN(C)C(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 CC(C)(C)[*:1] CN(C)C(=O)[C@H]1CCCN(C1)C(=O)C(=O)Nc1ccnn1[*:1]
CN(C)C(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 CN(C)C(=O)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1nc(CCCSc2nnc(-c3ccccc3Cl)o2)cs1 Clc1ccccc1[*:1] Cc1nc(cs1)CCCSc1nnc(o1)[*:1]
Cc1nc(CCCSc2nnc(-c3ccccc3Cl)o2)cs1 Cc1nc(cs1)[*:1] Clc1ccccc1-c1nnc(o1)SCCC[*:1]
Cc1nc(CCCSc2nnc(-c3ccccc3Cl)o2)cs1 Cc1nc(cs1)C[*:1] Clc1ccccc1-c1nnc(o1)SCC[*:1]
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)[*:1]
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1cccc(C#N)c1 c1coc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[*:1])c1cccc(C#N)c1
CCc1nc([C@@H](NC(C)C)c2cnn(C)c2C)sc1C CC(C)N[*:1] CCc1nc(sc1C)[C@@H](c1cnn(C)c1C)[*:1]
CCc1nc([C@@H](NC(C)C)c2cnn(C)c2C)sc1C CC(C)[*:1] CCc1nc(sc1C)[C@@H](N[*:1])c1cnn(C)c1C
CSCc1cc(F)ccc1CNC(=O)[C@@H](C)c1c(C)noc1C CSC[*:1] Cc1noc(C)c1[C@H](C)C(=O)NCc1ccc(F)cc1[*:1]
CSCc1cc(F)ccc1CNC(=O)[C@@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] CSCc1cc(F)ccc1CNC(=O)[C@@H](C)[*:1]
Cc1nc(N2CCN(C(=O)C(C)(C)C)CC2)cc(-n2cnc(C)c2C)n1 Cc1ncn(c1C)[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)C(C)(C)C
Cc1nc(N2CCN(C(=O)C(C)(C)C)CC2)cc(-n2cnc(C)c2C)n1 CC(C)(C)[*:1] Cc1nc(cc(n1)-n1cnc(C)c1C)N1CCN(CC1)C(=O)[*:1]
Cn1cccc(NC(=O)C(=O)NC[C@@H]2CCCc3ccccc32)c1=O Cn1cccc(c1=O)[*:1] O=C(NC[C@@H]1CCCc2ccccc21)C(=O)N[*:1]
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] C=CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1[*:1]
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 C=CCO[*:1] O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccccc1)c1ccc(cc1)[*:1]
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 C=CCOc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2)N1c1ccccn1
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 C=CC[*:1] O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccccc1)c1ccc(cc1)O[*:1]
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 c1ccc(nc1)[*:1] C=CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1)[*:1]
CC(C)Oc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 CC(C)[*:1] O=C(NCc1cccc(c1)O[*:1])c1nc2ccccc2c(=O)[nH]1
CC(C)Oc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 CC(C)O[*:1] O=C(NCc1cccc(c1)[*:1])c1nc2ccccc2c(=O)[nH]1
CCC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(C(=O)NC)c(Cl)c2)CC1=O CCC[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)[C@H]1CC(=O)N(C1)[C@H](C)[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(C(=O)NC)c(Cl)c2)CC1=O CNC(=O)[*:1] CCC[C@@H](C)N1C[C@H](CC1=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(C(=O)NC)c(Cl)c2)CC1=O CCC[C@@H](C)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCc1nn(C)cc1C[NH2+][C@@H](c1ccccn1)C1CCCC1 c1ccc(nc1)[*:1] CCc1nn(C)cc1C[NH2+][C@@H](C1CCCC1)[*:1]
CCc1nn(C)cc1C[NH2+][C@@H](c1ccccn1)C1CCCC1 C1CCC(C1)[*:1] CCc1nn(C)cc1C[NH2+][C@@H](c1ccccn1)[*:1]
CC[C@@H]1CCC[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 N#Cc1ccc(nc1)[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)NC1CCN(CC1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)N1CCN(CCOC)C(=O)C1 COCC[*:1] CC[C@H](C)[C@@H](C)NC(=O)N1CCN(C(=O)C1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)N1CCN(CCOC)C(=O)C1 CC[C@H](C)[*:1] COCCN1CCN(CC1=O)C(=O)N[C@H](C)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)N1CCN(CCOC)C(=O)C1 COC[*:1] CC[C@H](C)[C@@H](C)NC(=O)N1CCN(C[*:1])C(=O)C1
CC(C)COC(=O)c1ccccc1SCC(=O)N1CCCC1 CC(C)C[*:1] O=C(O[*:1])c1ccccc1SCC(=O)N1CCCC1
CC(C)COC(=O)c1ccccc1SCC(=O)N1CCCC1 CC(C)[*:1] O=C(OC[*:1])c1ccccc1SCC(=O)N1CCCC1
CC(C)COC(=O)c1ccccc1SCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)COC(=O)c1ccccc1SC[*:1]
CC(C)COC(=O)c1ccccc1SCC(=O)N1CCCC1 CC(C)COC(=O)[*:1] O=C(CSc1ccccc1[*:1])N1CCCC1
O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cccc(-n2ccnc2)c1 Clc1cccc(c1)[*:1] O=C(N[C@@H]1C[C@H]1[*:1])c1cccc(c1)-n1ccnc1
O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cccc(c1)[*:1]
O=C(CCN1CCCC1=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] O=C(CCN1CCCC1=O)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
O=C(CCN1CCCC1=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] O=C(CCN1CCCC1=O)N[C@H](c1cccc(c1)[*:1])C1CC1
O=C(CCN1CCCC1=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 O=C1CCCN1CC[*:1] O=C(N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
O=C(CCN1CCCC1=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 O=C1CCCN1C[*:1] O=C(C[*:1])N[C@H](c1cccc(c1)C(F)(F)F)C1CC1
O=C(CCN1CCCC1=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 O=C1CCCN1[*:1] O=C(CC[*:1])N[C@H](c1cccc(c1)C(F)(F)F)C1CC1
CCOc1ccccc1/C=N/NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] CCOc1ccccc1/C=N/NC(=O)[*:1]
CCOc1ccccc1/C=N/NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1/C=N/NC(=O)C[*:1]
CCOc1ccccc1/C=N/NC(=O)Cc1ccccc1 CCO[*:1] O=C(Cc1ccccc1)N/N=C/c1ccccc1[*:1]
COc1ccc2c(c1)OC1(CCN(C(=O)C[C@H]3C[C@@H](C(C)=O)C3(C)C)CC1)CNC2=O CC(=O)[*:1] COc1ccc2C(=O)NCC3(CCN(CC3)C(=O)C[C@H]3C[C@@H](C3(C)C)[*:1])Oc2c1
CC(C)CNC(=O)c1cn(C2CC[NH+](Cc3cccnc3)CC2)nn1 CC(C)CNC(=O)[*:1] c1cncc(c1)C[NH+]1CCC(CC1)n1cc(nn1)[*:1]
CC(C)CNC(=O)c1cn(C2CC[NH+](Cc3cccnc3)CC2)nn1 CC(C)C[*:1] O=C(N[*:1])c1cn(nn1)C1CC[NH+](CC1)Cc1cccnc1
CC(C)CNC(=O)c1cn(C2CC[NH+](Cc3cccnc3)CC2)nn1 c1cncc(c1)[*:1] CC(C)CNC(=O)c1cn(nn1)C1CC[NH+](CC1)C[*:1]
CC(C)CNC(=O)c1cn(C2CC[NH+](Cc3cccnc3)CC2)nn1 c1cncc(c1)C[*:1] CC(C)CNC(=O)c1cn(nn1)C1CC[NH+](CC1)[*:1]
CC(C)CNC(=O)c1cn(C2CC[NH+](Cc3cccnc3)CC2)nn1 CC(C)[*:1] O=C(NC[*:1])c1cn(nn1)C1CC[NH+](CC1)Cc1cccnc1
Cc1ccc(-c2ncco2)cc1NC(=O)N1CCOC2(CCCC2)C1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N1CCOC2(CCCC2)C1)[*:1]
C[C@H](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 c1ccc(cc1)C[*:1] C[C@H](CC(=O)N1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1
C[C@H](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 C[C@H](C[*:1])c1ccccc1 O=C(N1CCN(CC1)S(=O)(=O)Cc1ccccc1)[*:1]
C[C@H](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
C[C@H](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N1CCN(CC1)S(=O)(=O)C[*:1])c1ccccc1
C[C@H](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1)[*:1]
CCOC(=O)COc1ccc(Br)cc1F CCOC(=O)[*:1] Fc1cc(Br)ccc1OC[*:1]
COCCN(CC(F)F)C(=O)N[C@@H]1CC[C@@H](SC)C1 COCC[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)N(CC(F)F)[*:1]
COCCN(CC(F)F)C(=O)N[C@@H]1CC[C@@H](SC)C1 COC[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)N(CC(F)F)C[*:1]
COCCN(CC(F)F)C(=O)N[C@@H]1CC[C@@H](SC)C1 FC(F)C[*:1] COCCN(C(=O)N[C@@H]1CC[C@H](C1)SC)[*:1]
COCCN(CC(F)F)C(=O)N[C@@H]1CC[C@@H](SC)C1 FC(F)[*:1] COCCN(C[*:1])C(=O)N[C@@H]1CC[C@H](C1)SC
COC(=O)c1cc(F)cc(-c2ccc(O)c(C=O)c2)c1 COC(=O)[*:1] O=Cc1cc(ccc1O)-c1cc(F)cc(c1)[*:1]
Cc1ccsc1CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 Cc1ccsc1[*:1] CC(C)(C)OC(=O)NC1CC[NH+](CC1)CC(=O)NC[*:1]
Cc1ccsc1CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1ccsc1CNC(=O)C[NH+]1CCC(CC1)NC(=O)O[*:1]
Cc1ccsc1CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)N[*:1] Cc1ccsc1CNC(=O)C[NH+]1CCC(CC1)[*:1]
Cc1ccsc1CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 Cc1ccsc1C[*:1] CC(C)(C)OC(=O)NC1CC[NH+](CC1)CC(=O)N[*:1]
COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(O)c1 COC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1CC[*:1]
COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(O)c1 COCCC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1[*:1]
COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(O)c1 COCC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1C[*:1]
COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(O)c1 Oc1cccc(c1)[*:1] COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1 c1csc(c1)[*:1] CC(C)NC(=O)c1ccc(Cl)c(c1)NC(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1 CC(C)[*:1] CC(C)NC(=O)c1ccc(Cl)c(c1)NC(=O)c1cc(nc2c1cnn2[*:1])-c1cccs1
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1 CC(C)[*:1] CC(C)n1ncc2c(cc(nc21)-c1cccs1)C(=O)Nc1cc(ccc1Cl)C(=O)N[*:1]
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1 CC(C)NC(=O)[*:1] CC(C)n1ncc2c(cc(nc21)-c1cccs1)C(=O)Nc1cc(ccc1Cl)[*:1]
Fc1ccccc1NCc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] Fc1ccccc1NCc1cnn(c1)[*:1]
CCc1ccc([C@H](NCC(=O)N2CCN(C(=O)C3CC3)CC2)C(C)C)cc1 CCc1ccc(cc1)[*:1] CC(C)[C@@H](NCC(=O)N1CCN(CC1)C(=O)C1CC1)[*:1]
CCc1ccc([C@H](NCC(=O)N2CCN(C(=O)C3CC3)CC2)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@H](NCC(=O)N1CCN(CC1)C(=O)C1CC1)[*:1]
CCc1ccc([C@H](NCC(=O)N2CCN(C(=O)C3CC3)CC2)C(C)C)cc1 C1CC1[*:1] CCc1ccc(cc1)[C@H](NCC(=O)N1CCN(CC1)C(=O)[*:1])C(C)C
Cc1ccccc1[C@H](C)NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1ccccc1[C@H](C)NC(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccccc1[C@H](C)NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 Cc1ccccc1[*:1] C[C@H](NC(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] Cc1ccccc1[C@H](C)NC(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(C)cc2)c(=O)c2ccccc21 Cc1ccc(cc1)C[*:1] COc1ccccc1NC(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
COc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(C)cc2)c(=O)c2ccccc21 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2ccccc21
COc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(C)cc2)c(=O)c2ccccc21 COc1ccccc1[*:1] Cc1ccc(cc1)Cn1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
O=C(NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1ccc(Br)o1 Clc1ccccc1[*:1] O=C(NCCN1C(=O)SC(=C[*:1])C1=O)c1ccc(Br)o1
O=C(NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CCNC(=O)[*:1]
C[C@H](NC(=O)CCc1cnn(C)c1)c1cccc(N2CCCC2)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)CC[*:1])c1cccc(c1)N1CCCC1
C[C@H](NC(=O)CCc1cnn(C)c1)c1cccc(N2CCCC2)c1 Cn1cc(cn1)CC[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)N1CCCC1
C[C@H](NC(=O)CCc1cnn(C)c1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H](NC(=O)CCc1cnn(C)c1)c1cccc(c1)[*:1]
C[C@H](NC(=O)CCc1cnn(C)c1)c1cccc(N2CCCC2)c1 Cn1cc(cn1)C[*:1] C[C@H](NC(=O)C[*:1])c1cccc(c1)N1CCCC1
O=C(Cc1cs/c(=N\S(=O)(=O)c2ccccc2)[nH]1)Nc1ccc(CCO)cc1 OCCc1ccc(cc1)[*:1] O=C(Cc1cs/c(=N\S(=O)(=O)c2ccccc2)[nH]1)N[*:1]
O=C(Cc1cs/c(=N\S(=O)(=O)c2ccccc2)[nH]1)Nc1ccc(CCO)cc1 OCC[*:1] O=C(Cc1cs/c(=N\S(=O)(=O)c2ccccc2)[nH]1)Nc1ccc(cc1)[*:1]
O=C(Cc1cs/c(=N\S(=O)(=O)c2ccccc2)[nH]1)Nc1ccc(CCO)cc1 c1ccc(cc1)[*:1] O=C(Cc1cs/c(=N\S(=O)(=O)[*:1])[nH]1)Nc1ccc(cc1)CCO
CCc1ccccc1NC(=O)[C@H](C)Sc1nccn1C Cn1ccnc1[*:1] CCc1ccccc1NC(=O)[C@H](C)S[*:1]
CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 CCOC(=O)[*:1] O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1cc(C(=O)NNC(=O)c2ccccc2Br)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)NNC(=O)c1ccccc1Br
COc1cc(C(=O)NNC(=O)c2ccccc2Br)ccc1OC(F)F Brc1ccccc1[*:1] COc1cc(ccc1OC(F)F)C(=O)NNC(=O)[*:1]
COc1cc(C(=O)NNC(=O)c2ccccc2Br)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)NNC(=O)c1ccccc1Br
CCO[C@@H]1C[C@@H]1C(=O)NCc1ccc(OC)c(F)c1 CCO[*:1] COc1ccc(cc1F)CNC(=O)[C@H]1C[C@H]1[*:1]
CC(C)CN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O CC(C)C[*:1] CN(C(=O)N[C@@H]1CCCN(C1=O)c1ccc(cc1)OC(F)F)[*:1]
CC(C)CN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O FC(F)[*:1] CC(C)CN(C)C(=O)N[C@@H]1CCCN(C1=O)c1ccc(cc1)O[*:1]
CC(C)CN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O CC(C)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCCN(C1=O)c1ccc(cc1)OC(F)F
CC(C)CN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O FC(F)O[*:1] CC(C)CN(C)C(=O)N[C@@H]1CCCN(C1=O)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 c1ccc2[nH]c(nc2c1)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 c1cc2OCCOc2cc1[*:1] O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(/C=C/c1ccc(Br)s1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] O=C(/C=C/c1ccc(Br)s1)N[C@H](c1ccc2OCCOc2c1)[*:1]
O=C(/C=C/c1ccc(Br)s1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 Brc1ccc(s1)[*:1] O=C(C=C[*:1])N[C@H](c1ccc2OCCOc2c1)C1CC1
O=C(/C=C/c1ccc(Br)s1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 Brc1ccc(C=C[*:1])s1 O=C(N[C@H](c1ccc2OCCOc2c1)C1CC1)[*:1]
COc1ccc(Cl)c(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] COc1ccc(Cl)c(c1)NC(=O)N1CCN(CC1)[*:1]
O=C(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 C1CCC(CC1)[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1
O=C(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
CC(=O)N(C)CC(=O)Nc1cccc2ccccc12 CC(=O)N(C)[*:1] O=C(C[*:1])Nc1cccc2ccccc12
CC(=O)N(C)CC(=O)Nc1cccc2ccccc12 CC(=O)N(C)C[*:1] O=C(Nc1cccc2ccccc12)[*:1]
O=C([O-])CN(C(=O)Cc1ccn[nH]1)c1ccc(O)cc1 c1cc([nH]n1)[*:1] O=C([O-])CN(C(=O)C[*:1])c1ccc(O)cc1
O=C([O-])CN(C(=O)Cc1ccn[nH]1)c1ccc(O)cc1 O=C([O-])[*:1] O=C(Cc1ccn[nH]1)N(C[*:1])c1ccc(O)cc1
O=C([O-])CN(C(=O)Cc1ccn[nH]1)c1ccc(O)cc1 c1cc(C[*:1])[nH]n1 O=C([O-])CN(C(=O)[*:1])c1ccc(O)cc1
O=C([O-])CN(C(=O)Cc1ccn[nH]1)c1ccc(O)cc1 O=C([O-])C[*:1] O=C(Cc1ccn[nH]1)N(c1ccc(O)cc1)[*:1]
CCc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C)nn32)cc1 CCc1ccc(cc1)[*:1] Cc1nc2NC3C[C@@H](C)CC(=O)C=3[C@H](n2n1)[*:1]
COc1cc([C@H]2NC(=O)c3oc4ccc(C)cc4c(=O)c32)ccc1OCCC(C)C CC(C)CCO[*:1] COc1cc(ccc1[*:1])[C@H]1NC(=O)c2oc3ccc(C)cc3c(=O)c21
COc1cc([C@H]2NC(=O)c3oc4ccc(C)cc4c(=O)c32)ccc1OCCC(C)C CC(C)C[*:1] COc1cc(ccc1OC[*:1])[C@H]1NC(=O)c2oc3ccc(C)cc3c(=O)c21
COc1cc([C@H]2NC(=O)c3oc4ccc(C)cc4c(=O)c32)ccc1OCCC(C)C CC(C)CC[*:1] COc1cc(ccc1O[*:1])[C@H]1NC(=O)c2oc3ccc(C)cc3c(=O)c21
COc1cc([C@H]2NC(=O)c3oc4ccc(C)cc4c(=O)c32)ccc1OCCC(C)C CC(C)[*:1] COc1cc(ccc1OCC[*:1])[C@H]1NC(=O)c2oc3ccc(C)cc3c(=O)c21
COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1F COc1ccccc1[*:1] COc1ccc(cc1F)S(=O)(=O)N1CCN(CC1)[*:1]
c1nnc(C[NH2+][C@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)n1C1CC1 C1CC1[*:1] c1nnc(C[NH2+][C@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)n1[*:1]
CCc1cc(C(=O)N2CCC(C)CC2)c2c(C)nn(-c3ccc(OC)cc3)c2n1 COc1ccc(cc1)[*:1] CCc1cc(C(=O)N2CCC(C)CC2)c2c(C)nn(c2n1)[*:1]
CCc1cc(C(=O)N2CCC(C)CC2)c2c(C)nn(-c3ccc(OC)cc3)c2n1 CC1CCN(CC1)C(=O)[*:1] CCc1cc(c2c(C)nn(-c3ccc(cc3)OC)c2n1)[*:1]
CC[C@H](NC(=O)NNC(=O)CSC)c1ccncc1 CSC[*:1] CC[C@H](NC(=O)NNC(=O)[*:1])c1ccncc1
CC[C@H](NC(=O)NNC(=O)CSC)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)NNC(=O)CSC)[*:1]
COc1cccc2c1OC[C@H](NS(=O)(=O)c1cc(F)ccc1C)C2 Cc1ccc(F)cc1[*:1] COc1cccc2C[C@H](COc21)NS(=O)(=O)[*:1]
COc1cccc(C(=O)NNC(=O)c2cn[nH]n2)c1F c1n[nH]nc1[*:1] COc1cccc(C(=O)NNC(=O)[*:1])c1F
Cc1cccnc1C[C@H](O)C[C@H](C)C(C)(C)C CC(C)(C)[*:1] Cc1cccnc1C[C@H](O)C[C@H](C)[*:1]
COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)c1ccc(C)o1 Cc1ccc(o1)[*:1] COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)[*:1]
COC(=O)CN(Cc1ccc(F)c2cccnc12)C1CC1 COC(=O)C[*:1] Fc1ccc(CN(C2CC2)[*:1])c2ncccc12
COC(=O)CN(Cc1ccc(F)c2cccnc12)C1CC1 C1CC1[*:1] COC(=O)CN(Cc1ccc(F)c2cccnc12)[*:1]
COC(=O)CN(Cc1ccc(F)c2cccnc12)C1CC1 COC(=O)[*:1] Fc1ccc(CN(C[*:1])C2CC2)c2ncccc12
Cc1nc(C(=O)N2CCN(c3cc(Cl)ncn3)CC2)ccc1C#N Clc1cc(ncn1)[*:1] Cc1nc(ccc1C#N)C(=O)N1CCN(CC1)[*:1]
COc1cccc(/C(C)=C/C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 O[C@H](c1ccccc1)[*:1] COc1cccc(c1)/C(C)=C/C(=O)N1CCC(CC1)[*:1]
COc1cccc(/C(C)=C/C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)/C(C)=C/C(=O)N1CCC(CC1)[C@H](O)[*:1]
COc1cccc(/C(C)=C/C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 COc1cccc(c1)[*:1] CC(=CC(=O)N1CCC(CC1)[C@H](O)c1ccccc1)[*:1]
CCS(=O)(=O)CCC[C@@H]([NH3+])c1ncc[nH]1 c1c[nH]c(n1)[*:1] CCS(=O)(=O)CCC[C@@H]([NH3+])[*:1]
CCS(=O)(=O)CCC[C@@H]([NH3+])c1ncc[nH]1 CCS(=O)(=O)[*:1] [NH3+][C@H](CCC[*:1])c1ncc[nH]1
Cc1noc(C)c1COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 Cc1noc(C)c1C[*:1] C[C@@H](NC(=O)c1ccc(cc1)O[*:1])c1ccc(Cl)cc1Cl
Cc1noc(C)c1COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N[C@H](C)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)c1ccc(cc1)OC[*:1])c1ccc(Cl)cc1Cl
Cc1noc(C)c1COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 Cc1noc(C)c1CO[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(Cl)cc1Cl
CSc1ccc(C(=O)N(C)CC/C(N)=N/O)cc1 N/C(CC[*:1])=N\O CSc1ccc(cc1)C(=O)N(C)[*:1]
CSc1ccc(C(=O)N(C)CC/C(N)=N/O)cc1 N/C(C[*:1])=N\O CSc1ccc(cc1)C(=O)N(C)C[*:1]
CSc1ccc(C(=O)N(C)CC/C(N)=N/O)cc1 N/C(=N\O)[*:1] CSc1ccc(cc1)C(=O)N(C)CC[*:1]
CC[NH2+][C@H](CCC(C)C)[C@H]1C[NH+]2CCN1CC2 CC(C)C[*:1] CC[NH2+][C@H](C[*:1])[C@H]1C[NH+]2CCN1CC2
CC[NH2+][C@H](CCC(C)C)[C@H]1C[NH+]2CCN1CC2 CC(C)CC[*:1] CC[NH2+][C@H]([C@H]1C[NH+]2CCN1CC2)[*:1]
CC[NH2+][C@H](CCC(C)C)[C@H]1C[NH+]2CCN1CC2 CC(C)[*:1] CC[NH2+][C@H](CC[*:1])[C@H]1C[NH+]2CCN1CC2
COc1ccc([C@@H](CNC(=O)[C@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21)[*:1]
Cc1ccc(-c2n[nH]cc2CN2CCN(CC(=O)N(C)C)CC2)cc1C Cc1ccc(cc1C)[*:1] CN(C)C(=O)CN1CCN(CC1)Cc1c[nH]nc1[*:1]
Cc1ccc(-c2n[nH]cc2CN2CCN(CC(=O)N(C)C)CC2)cc1C CN(C)C(=O)[*:1] Cc1ccc(cc1C)-c1n[nH]cc1CN1CCN(CC1)C[*:1]
Cc1ccc(-c2n[nH]cc2CN2CCN(CC(=O)N(C)C)CC2)cc1C CN(C)C(=O)C[*:1] Cc1ccc(cc1C)-c1n[nH]cc1CN1CCN(CC1)[*:1]
CCc1nc(CN2CC[NH+](Cc3ccc(F)cc3C)CC2)no1 CCc1nc(no1)[*:1] Cc1cc(F)ccc1C[NH+]1CCN(CC1)C[*:1]
CC(=O)Nc1ccc(Cl)cc1NC(=O)CSCC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(Cl)cc1NC(=O)CSCC(=O)[*:1]
CC(=O)Nc1ccc(Cl)cc1NC(=O)CSCC(=O)c1ccccc1 CC(=O)N[*:1] O=C(CSCC(=O)c1ccccc1)Nc1cc(Cl)ccc1[*:1]
CC(=O)Nc1ccc(Cl)cc1NC(=O)CSCC(=O)c1ccccc1 O=C(c1ccccc1)[*:1] CC(=O)Nc1ccc(Cl)cc1NC(=O)CSC[*:1]
CC[NH+](CC(=O)N(C)Cc1ccco1)C1CCC([NH3+])CC1 c1coc(c1)C[*:1] CC[NH+](CC(=O)N(C)[*:1])C1CCC([NH3+])CC1
CC[NH+](CC(=O)N(C)Cc1ccco1)C1CCC([NH3+])CC1 c1coc(c1)[*:1] CC[NH+](CC(=O)N(C)C[*:1])C1CCC([NH3+])CC1
Cc1ncc(CO/N=C(/N)Cc2cccnc2)s1 c1cncc(c1)[*:1] Cc1ncc(CO/N=C(/N)C[*:1])s1
Cc1ncc(CO/N=C(/N)Cc2cccnc2)s1 Cc1ncc(s1)[*:1] N/C(Cc1cccnc1)=N/OC[*:1]
COc1ccc(F)cc1NC(=O)C(C)C CC(C)[*:1] COc1ccc(F)cc1NC(=O)[*:1]
Cc1cc2cc(CNC(=O)c3cccc(Cl)c3)ccc2n1C Clc1cccc(c1)[*:1] Cc1cc2cc(ccc2n1C)CNC(=O)[*:1]
O=C(N[C@H]1CCN2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C1)c1ccncc1 c1cc(ccn1)[*:1] O=C1[C@@H]2C[C@H](CCN2C(=O)N1c1ccc(Cl)cc1)NC(=O)[*:1]
O=C(N[C@H]1CCN2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C1)c1ccncc1 O=C(N[*:1])c1ccncc1 O=C1[C@@H]2C[C@H](CCN2C(=O)N1c1ccc(Cl)cc1)[*:1]
O=C(N[C@H]1CCN2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C1)c1ccncc1 Clc1ccc(cc1)[*:1] O=C(N[C@H]1CCN2C(=O)N(C(=O)[C@@H]2C1)[*:1])c1ccncc1
CCN(Cc1ccccn1)S(=O)(=O)c1cc(C)cc(F)c1 c1ccc(C[*:1])nc1 CCN(S(=O)(=O)c1cc(C)cc(F)c1)[*:1]
CCN(Cc1ccccn1)S(=O)(=O)c1cc(C)cc(F)c1 c1ccc(nc1)[*:1] CCN(C[*:1])S(=O)(=O)c1cc(C)cc(F)c1
Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CCOc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)CCOc1ccccc1[*:1])C(=O)N1CCSCC1
Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)CCOc1ccccc1-c1ccccc1 O=C(N1CCSCC1)[*:1] Cc1cc(ccc1NC(=O)CCOc1ccccc1-c1ccccc1)[*:1]
COc1ccc(OC)c(-c2cc(C(=O)[O-])ccn2)c1 O=C([O-])[*:1] COc1ccc(OC)c(c1)-c1cc(ccn1)[*:1]
CC(C)c1nc(CO/N=C(/N)c2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] CC(C)c1nc(CO/N=C(/N)c2cccc(c2)[*:1])no1
CC(C)c1nc(CO/N=C(/N)c2cccc(C(F)(F)F)c2)no1 CC(C)[*:1] N/C(=N/OCc1noc(n1)[*:1])c1cccc(c1)C(F)(F)F
CC(=O)Nc1cccc(NC(=O)CSCc2ccc(-n3cccn3)cc2)c1 CC(=O)N[*:1] O=C(CSCc1ccc(cc1)-n1cccn1)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSCc2ccc(-n3cccn3)cc2)c1 c1cnn(c1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSCc1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NC)o2)cc1 CCO[*:1] CNc1oc(nc1S(=O)(=O)c1ccc(F)cc1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NC)o2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1nc(c(NC)o1)S(=O)(=O)[*:1]
CCC[C@@](C)(CO)NC(=O)Nc1ccc2c(c1)OCCO2 CCC[*:1] C[C@@](CO)(NC(=O)Nc1ccc2OCCOc2c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 c1cc2OCCOc2cc1[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1ccc2c(=O)c(coc2c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 CC(C)(C)[*:1] O=C(Oc1ccc2c(=O)c(coc2c1)-c1ccc2OCCOc2c1)[C@@H]1CCCN1C(=O)O[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)Nc1cccc(Cl)c1C CNC(=O)[C@@H](C)[*:1] Cc1c(Cl)cccc1NC(=O)N(C)C[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)Nc1cccc(Cl)c1C CNC(=O)[*:1] Cc1c(Cl)cccc1NC(=O)N(C)C[C@H](C)[*:1]
CCCCCNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl CCCC[*:1] O=c1[nH]c2cc(Cl)c(cc2o1)S(=O)(=O)NC[*:1]
CCCCCNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl CCC[*:1] O=c1[nH]c2cc(Cl)c(cc2o1)S(=O)(=O)NCC[*:1]
CCCCCNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl CCCCC[*:1] O=c1[nH]c2cc(Cl)c(cc2o1)S(=O)(=O)N[*:1]
Cc1ccc(CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cc1F CC(C)[*:1] Cc1ccc(cc1F)CNC(=O)[C@H](NC(=O)Cc1ccccc1)[*:1]
Cc1ccc(CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cc1F c1ccc(cc1)C[*:1] Cc1ccc(cc1F)CNC(=O)[C@H](NC(=O)[*:1])C(C)C
Cc1ccc(CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)CNC(=O)[C@H](NC(=O)C[*:1])C(C)C
Cc1ccc(CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cc1F Cc1ccc(cc1F)[*:1] CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[*:1]
CC(=O)n1c(CC#N)nc2c1c(=O)n(C)c(=O)n2C N#CC[*:1] CC(=O)n1c(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
CC(C)=CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 CC(C)=CC(=O)N[*:1] O=S(=O)(c1ccc(C[*:1])s1)N1CCOCC1
CC(C)=CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 CC(C)=C[*:1] O=C(NCc1ccc(s1)S(=O)(=O)N1CCOCC1)[*:1]
Cc1cc(Cl)ccc1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 Cc1cc(Cl)ccc1[*:1] C[C@H](CC(=O)N[*:1])S(=O)(=O)c1ccc2OCC(=O)Nc2c1
O=c1c(NCc2ccccc2Cl)c(-c2ccccc2)c1=O c1ccc(cc1)[*:1] O=c1c(NCc2ccccc2Cl)c(c1=O)[*:1]
O=c1c(NCc2ccccc2Cl)c(-c2ccccc2)c1=O Clc1ccccc1[*:1] O=c1c(NC[*:1])c(-c2ccccc2)c1=O
COc1ccc(-c2nnc3sc(-c4ccccc4OC)nn23)cc1 COc1ccc(cc1)[*:1] COc1ccccc1-c1nn2c(nnc2s1)[*:1]
COc1ccc(-c2nnc3sc(-c4ccccc4OC)nn23)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-c1nnc2sc(nn12)[*:1]
CCc1noc(-c2ccc(NC)c([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] CCc1noc(n1)-c1ccc(NC)c(c1)[*:1]
COC[C@@H](NC(=O)CC(C)C)c1ccc(F)c(F)c1 CC(C)C[*:1] COC[C@@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)CC(C)C)c1ccc(F)c(F)c1 COC[*:1] CC(C)CC(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COC[C@@H](NC(=O)CC(C)C)c1ccc(F)c(F)c1 CC(C)[*:1] COC[C@@H](NC(=O)C[*:1])c1ccc(F)c(F)c1
C[C@H]1OCC[C@H]1C(=O)Nc1cnn(-c2ccccc2Br)c1 Brc1ccccc1[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1cnn(c1)[*:1]
O=C(NCCCN1CCCCCC1=O)NNc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCCN1CCCCCC1=O)NN[*:1]
Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 CC(C)[*:1] Cc1nc2c(cnn2[*:1])c(C)c1CCC(=O)N1CCC(CC1)n1c(=O)[nH]c2ccccc21
Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 O=c1[nH]c2ccccc2n1[*:1] Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCC(CC1)[*:1]
O=C(/C=C/c1nc2ccccc2s1)Nc1ccccc1S(=O)(=O)C(F)F FC(F)[*:1] O=C(/C=C/c1nc2ccccc2s1)Nc1ccccc1S(=O)(=O)[*:1]
O=C(/C=C/c1nc2ccccc2s1)Nc1ccccc1S(=O)(=O)C(F)F O=S(=O)(C(F)F)[*:1] O=C(/C=C/c1nc2ccccc2s1)Nc1ccccc1[*:1]
O=C(c1ccc2ncsc2c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 c1nc2ccc(cc2s1)[*:1] O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)[*:1]
O=C(c1ccc2ncsc2c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(c1ccc2ncsc2c1)N1CCN(CC1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1cc[nH+]cc1)[*:1]
Cc1ccc(CCCC(=O)Nc2cc(-n3cnnn3)ccc2F)s1 Cc1ccc(C[*:1])s1 O=C(CC[*:1])Nc1cc(ccc1F)-n1cnnn1
Cc1ccc(CCCC(=O)Nc2cc(-n3cnnn3)ccc2F)s1 c1nnnn1[*:1] Cc1ccc(CCCC(=O)Nc2cc(ccc2F)[*:1])s1
Cc1ccc(CCCC(=O)Nc2cc(-n3cnnn3)ccc2F)s1 Cc1ccc(CC[*:1])s1 O=C(C[*:1])Nc1cc(ccc1F)-n1cnnn1
Cc1ccc(CCCC(=O)Nc2cc(-n3cnnn3)ccc2F)s1 Cc1ccc(s1)[*:1] O=C(CCC[*:1])Nc1cc(ccc1F)-n1cnnn1
CCN(c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1)C(C)C CN(C)S(=O)(=O)[*:1] CCN(c1ccc(cc1)NC(=O)c1cc(ccc1Cl)[*:1])C(C)C
CCN(c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1)C(C)C CCN(C(C)C)[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(cc1)[*:1]
CCN(c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1)C(C)C CC(C)[*:1] CCN(c1ccc(cc1)NC(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)C)[*:1]
C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H]([NH2+]C1CCN(CC1)C(=O)c1ccoc1)[*:1]
C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(F)cn1 c1cc(co1)[*:1] C[C@H]([NH2+]C1CCN(CC1)C(=O)[*:1])c1ccc(F)cn1
Cc1c(Cl)cccc1NCC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] Cc1c(Cl)cccc1NCC(C)(C)[*:1]
O=C1NC[C@@H](C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)N1 Fc1cccc(c1)[*:1] O=C1NC[C@H](N1)C(=O)Nc1ccc(nc1)O[*:1]
CCOCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 CCOC[*:1] Fc1ccc(cc1)-c1n[nH]cc1C[NH2+]C[*:1]
CCOCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 CCOCC[*:1] Fc1ccc(cc1)-c1n[nH]cc1C[NH2+][*:1]
CCOCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 CCO[*:1] Fc1ccc(cc1)-c1n[nH]cc1C[NH2+]CC[*:1]
O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 c1cc2OCCOc2cc1[*:1] O=C(c1cc(nn1-c1ccccc1)C1CC1)N1CCC(CC1)C(=O)[*:1]
O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 C1CC1[*:1] O=C(c1ccc2OCCOc2c1)C1CCN(CC1)C(=O)c1cc(nn1-c1ccccc1)[*:1]
O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc2OCCOc2c1)C1CCN(CC1)C(=O)c1cc(nn1[*:1])C1CC1
COC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 COC[*:1] O=[N+]([O-])c1ccc2oc(CN3CCO[C@@H](C3)[*:1])nc2c1
COC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 O=[N+]([O-])[*:1] COC[C@@H]1CN(CCO1)Cc1nc2cc(ccc2o1)[*:1]
O=C(CC[NH+]1CCN(c2ccccc2)CC1)N/N=C/c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])N/N=C/c1ccc2OCCOc2c1
C/C(=N/NC(=O)c1cc(C)n[nH]1)c1ccco1 c1coc(c1)[*:1] CC(=NNC(=O)c1cc(C)n[nH]1)[*:1]
Cc1ccc(F)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O Cc1ccc(F)cc1[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[*:1])C2=O
CCC[C@@H](C#N)NC(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F CCC[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)N[C@H](C#N)[*:1])C(F)(F)F
CCC[C@@H](C#N)NC(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F Cc1ccc(o1)[*:1] CCC[C@@H](C#N)NC(=O)C[C@](O)(C(F)(F)F)[*:1]
CCC[C@@H](C#N)NC(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F CCC[C@@H](C#N)[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)N[*:1])C(F)(F)F
CCC[C@@H](C#N)NC(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F FC(F)(F)[*:1] CCC[C@@H](C#N)NC(=O)C[C@](O)(c1ccc(C)o1)[*:1]
Cc1cc([C@H](O)[C@H](C[NH3+])C(C)C)sc1Br CC(C)[*:1] Cc1cc(sc1Br)[C@H](O)[C@H](C[NH3+])[*:1]
N#CC(=C/c1csc(C2CC2)n1)/C([O-])=N/c1c(Cl)cccc1Cl C1CC1[*:1] N#CC(=C/c1csc(n1)[*:1])/C([O-])=N/c1c(Cl)cccc1Cl
NC(=O)[C@@H](c1ccc(F)cc1)N1CCc2ccccc21 NC(=O)[*:1] Fc1ccc(cc1)[C@@H](N1CCc2ccccc21)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@H](Sc2nccc(=O)[nH]2)C1 O=C([O-])[*:1] CC[NH2+][C@]1(CC[C@@H](C1)Sc1nccc(=O)[nH]1)[*:1]
O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cc2ccccc2o1 c1ccc(cc1)[*:1] O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1])c1cc2ccccc2o1
O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)[*:1]
CS(=O)(=O)c1cccc2c1CCCN2Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])c1cccc(c1)[*:1] CS(=O)(=O)c1cccc2c1CCCN2Cn1cnc(n1)[*:1]
CS(=O)(=O)c1cccc2c1CCCN2Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 CS(=O)(=O)[*:1] O=[N+]([O-])c1cccc(c1)-c1ncn(CN2CCCc3c2cccc3[*:1])n1
CS(=O)(=O)c1cccc2c1CCCN2Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] CS(=O)(=O)c1cccc2c1CCCN2Cn1cnc(n1)-c1cccc(c1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)NCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)NCc1ccc(cc1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)NCc1ccc(-n2cccn2)cc1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)NCc1ccc(cc1)-n1cccn1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)NCc1ccc(-n2cccn2)cc1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)NCc1ccc(cc1)-n1cccn1
CCn1/c(=N/S(=O)(=O)c2ccc(C)cc2)sc2cc3c(cc21)OCCO3 Cc1ccc(cc1)[*:1] CCn1/c(=N/S(=O)(=O)[*:1])sc2cc3OCCOc3cc21
COCc1ccc(C(=O)NCc2nccc3ccccc23)cc1 COC[*:1] O=C(NCc1nccc2ccccc12)c1ccc(cc1)[*:1]
COc1ccc(C)c2c1N(C(=O)Cc1ccc(-n3cnnn3)cc1)CCC2 c1nnnn1[*:1] COc1ccc(C)c2CCCN(C(=O)Cc3ccc(cc3)[*:1])c12
CCc1nc(Nc2ccccc2F)c2c3c(sc2n1)CCC3 Fc1ccccc1[*:1] CCc1nc(N[*:1])c2c3CCCc3sc2n1
CCOC[C@H]1CCCN(C(=O)c2cc(C)cc(Br)c2O)C1 CCOC[*:1] Cc1cc(Br)c(O)c(c1)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cc(C)cc(Br)c2O)C1 CCO[*:1] Cc1cc(Br)c(O)c(c1)C(=O)N1CCC[C@@H](C1)C[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1 C1CO[C@H](C1)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N(Cc1cccs1)C[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1 c1csc(c1)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N(C[C@H]1CCCO1)C[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1 C1CO[C@H](C1)C[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N(Cc1cccs1)[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)N(Cc2cccs2)C[C@H]2CCCO2)C1 c1csc(c1)C[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N(C[C@H]1CCCO1)[*:1]
C[C@@H](NC(=O)COCC(F)(F)F)c1ccc(Cl)s1 FC(F)(F)CO[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)COCC(F)(F)F)c1ccc(Cl)s1 FC(F)(F)[*:1] C[C@@H](NC(=O)COC[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)COCC(F)(F)F)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)COCC(F)(F)F)[*:1]
C[C@@H](NC(=O)COCC(F)(F)F)c1ccc(Cl)s1 FC(F)(F)C[*:1] C[C@@H](NC(=O)CO[*:1])c1ccc(Cl)s1
N#Cc1ccc(OCCC[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1 N#Cc1ccc(cc1)[*:1] N#Cc1c(F)cccc1N1CC[NH+](CCCO[*:1])CC1
N#Cc1ccc(OCCC[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1 N#Cc1c(F)cccc1[*:1] N#Cc1ccc(cc1)OCCC[NH+]1CCN(CC1)[*:1]
N#Cc1ccc(OCCC[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1 N#Cc1ccc(cc1)O[*:1] N#Cc1c(F)cccc1N1CC[NH+](CCC[*:1])CC1
Cc1cccc(C)c1OC1CCN(C(=O)C(=O)Nc2ccc3c(c2)COC3)CC1 Cc1cccc(C)c1O[*:1] O=C(Nc1ccc2COCc2c1)C(=O)N1CCC(CC1)[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)C(=O)Nc2ccc3c(c2)COC3)CC1 Cc1cccc(C)c1[*:1] O=C(Nc1ccc2COCc2c1)C(=O)N1CCC(CC1)O[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)C(=O)Nc2ccc3c(c2)COC3)CC1 c1cc2COCc2cc1[*:1] Cc1cccc(C)c1OC1CCN(CC1)C(=O)C(=O)N[*:1]
CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc21)[*:1]
COC[C@H]1CCN(C(=O)c2cn(C3CCCCC3)nn2)C1 COC[*:1] O=C(c1cn(nn1)C1CCCCC1)N1CC[C@@H](C1)[*:1]
COC[C@H]1CCN(C(=O)c2cn(C3CCCCC3)nn2)C1 C1CCC(CC1)[*:1] COC[C@H]1CCN(C1)C(=O)c1cn(nn1)[*:1]
COc1ccc([C@@H]([NH2+]CCc2c(C)noc2C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H]([NH2+]CCc1c(C)noc1C)[*:1]
COc1ccc([C@@H]([NH2+]CCc2c(C)noc2C)C(C)C)cc1 Cc1noc(C)c1[*:1] COc1ccc(cc1)[C@@H]([NH2+]CC[*:1])C(C)C
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)Cc1csc2ccccc12 Cc1n[nH]c(C)c1C[*:1] C[C@@H](C(=O)N(C)Cc1csc2ccccc12)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)Cc1csc2ccccc12 Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)N(C)Cc1csc2ccccc12
C[C@H]1CCCCCN1c1ccc(S(N)(=O)=O)c(N)c1 NS(=O)(=O)[*:1] C[C@H]1CCCCCN1c1ccc(c(N)c1)[*:1]
CC(C)(C)S(=O)(=O)N1CCC[C@@H]1[C@@H]1CCCC1=O O=C1CCC[C@H]1[*:1] CC(C)(C)S(=O)(=O)N1CCC[C@H]1[*:1]
CC(C)(C)S(=O)(=O)N1CCC[C@@H]1[C@@H]1CCCC1=O CC(C)(C)[*:1] O=C1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)[*:1]
O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)NC2CC2)c1 O=S(=O)(NC1CC1)[*:1] O=C(Nc1ccccc1N1CCCC1=O)c1cccc(c1)[*:1]
O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)NC2CC2)c1 O=C1CCCN1[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)S(=O)(=O)NC1CC1
O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)NC2CC2)c1 C1CC1[*:1] O=C(Nc1ccccc1N1CCCC1=O)c1cccc(c1)S(=O)(=O)N[*:1]
COc1cccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccoc2C)c1 Cc1occc1[*:1] COc1cccc(c1)-n1c(nnc1[*:1])SCC(=O)N1CCCCC1
COc1cccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccoc2C)c1 O=C(N1CCCCC1)[*:1] COc1cccc(c1)-n1c(nnc1-c1ccoc1C)SC[*:1]
COc1cccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccoc2C)c1 O=C(C[*:1])N1CCCCC1 COc1cccc(c1)-n1c(nnc1-c1ccoc1C)S[*:1]
COc1cccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccoc2C)c1 COc1cccc(c1)[*:1] Cc1occc1-c1nnc(SCC(=O)N2CCCCC2)n1[*:1]
COc1ccc(C(=O)N2CCC(C(=O)NCCC3=c4cc(F)ccc4=[NH+][C@@H]3C)CC2)cc1 COc1ccc(cc1)[*:1] C[C@H]1[NH+]=c2ccc(F)cc2=C1CCNC(=O)C1CCN(CC1)C(=O)[*:1]
C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)[C@@H]1SCC(=O)N1CCc1ccccc1)[*:1]
C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)[C@@H]1SCC(=O)N1CC[*:1])c1ccccc1
C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)c1ccc(cc1)[C@@H]1SCC(=O)N1C[*:1])c1ccccc1
C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)c1ccc(cc1)[C@@H]1SCC(=O)N1[*:1])c1ccccc1
C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])c1ccc(cc1)[C@@H]1SCC(=O)N1CCc1ccccc1
COc1cccc([C@H](C)[NH2+]CC(C)(C)c2cccs2)c1 c1csc(c1)[*:1] COc1cccc(c1)[C@H](C)[NH2+]CC(C)(C)[*:1]
CC(C)c1ccc(NC(=O)CNC(=O)c2ccoc2)cc1 c1cc(co1)[*:1] CC(C)c1ccc(cc1)NC(=O)CNC(=O)[*:1]
CC(C)c1ccc(NC(=O)CNC(=O)c2ccoc2)cc1 CC(C)[*:1] O=C(CNC(=O)c1ccoc1)Nc1ccc(cc1)[*:1]
C[C@H](O)c1cnc(-c2c(F)ccc([N+](=O)[O-])c2F)s1 O=[N+]([O-])[*:1] C[C@H](O)c1cnc(s1)-c1c(F)ccc(c1F)[*:1]
C[C@H](O)c1cnc(-c2c(F)ccc([N+](=O)[O-])c2F)s1 C[C@H](O)[*:1] O=[N+]([O-])c1ccc(F)c(-c2ncc(s2)[*:1])c1F
COCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1[*:1]
COCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1C[*:1]
COCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 COCC[*:1] COc1ccc(cc1)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
CCn1c(C[C@@H](CC(C)C)[NH2+]C)nc2ccccc21 CC(C)C[*:1] CCn1c(C[C@@H]([NH2+]C)[*:1])nc2ccccc21
CCn1c(C[C@@H](CC(C)C)[NH2+]C)nc2ccccc21 CC(C)[*:1] CCn1c(C[C@@H](C[*:1])[NH2+]C)nc2ccccc21
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] c1ccc2c(c[nH]c2c1)[*:1] Cc1cccc(C)c1OCC(=O)N[C@@H](C[*:1])C(=O)[O-]
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] O=C([O-])[*:1] Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)[*:1]
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] Cc1cccc(C)c1[*:1] O=C(CO[*:1])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] Cc1cccc(C)c1O[*:1] O=C(C[*:1])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
Cc1ccccc1[C@@H]1SCC(=O)N1CCN(C)C(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccccc1[C@@H]1SCC(=O)N1CCN(C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1[C@@H]1SCC(=O)N1CCN(C)C(=O)Nc1ccc(C(F)(F)F)cc1 Cc1ccccc1[*:1] CN(CCN1C(=O)CS[C@H]1[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
Cc1ccccc1[C@@H]1SCC(=O)N1CCN(C)C(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] Cc1ccccc1[C@@H]1SCC(=O)N1CCN(C)C(=O)N[*:1]
COCC[NH+](C)CCNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 COC[*:1] C[NH+](CCNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1)C[*:1]
COCC[NH+](C)CCNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 COCC[*:1] C[NH+](CCNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1)[*:1]
CCC[NH2+][C@@H](Cc1nc(C)c(C)s1)c1cccc(F)c1 CCC[*:1] Cc1nc(C[C@H]([NH2+][*:1])c2cccc(F)c2)sc1C
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@@H]3SCCc4ccccc43)C2)c1 CCOC(=O)[*:1] O=C([C@@H]1SCCc2ccccc21)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
CCOC(=O)[C@@]1([NH2+]C2CC2)CCC[C@@H](OCC)C1 CCO[*:1] CCOC(=O)[C@]1(CCC[C@@H](C1)[*:1])[NH2+]C1CC1
CCOC(=O)[C@@]1([NH2+]C2CC2)CCC[C@@H](OCC)C1 CCOC(=O)[*:1] CCO[C@@H]1CCC[C@@](C1)([NH2+]C1CC1)[*:1]
CCOC(=O)[C@@]1([NH2+]C2CC2)CCC[C@@H](OCC)C1 C1CC1[*:1] CCOC(=O)[C@]1(CCC[C@H](C1)OCC)[NH2+][*:1]
CC[C@H](C)n1ncc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1[*:1]
COc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 COc1cccc(c1)[*:1] Cc1nn(c2nc(cc(C(=O)N[*:1])c12)-c1ccccc1)[C@H]1CCS(=O)(=O)C1
COc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)c1cc(nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1)[*:1]
COc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 COc1cccc(c1)NC(=O)[*:1] Cc1nn(c2nc(cc(c12)[*:1])-c1ccccc1)[C@H]1CCS(=O)(=O)C1
O=C(NCC1CCN(c2nsc3ccccc23)CC1)c1cc([N+](=O)[O-])ccc1Cl c1ccc2c(nsc2c1)[*:1] O=C(NCC1CCN(CC1)[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
O=C(NCC1CCN(c2nsc3ccccc23)CC1)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(NCC1CCN(CC1)c1nsc2ccccc12)c1cc(ccc1Cl)[*:1]
C[C@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C[C@H]1CC[C@H](C1)[NH2+][C@@H](C)C(=O)O[*:1]
CCN(CC)c1ncnc(Nc2cc(C)ccn2)c1N CCN(CC)[*:1] Cc1ccnc(c1)Nc1ncnc(c1N)[*:1]
C[C@@H]1C[S@@](=O)CCN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[S@@](=O)CCN1CC(=O)Nc1cc(nn1[*:1])C(C)(C)C
C[C@@H]1C[S@@](=O)CCN1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 CC(C)(C)[*:1] C[C@@H]1C[S@@](=O)CCN1CC(=O)Nc1cc(nn1-c1ccccc1)[*:1]
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C(C)C)no1 CC(C)c1cc(on1)[*:1] CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)[*:1]
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C(C)C)no1 CC(C)NC(=O)[*:1] CC(C)c1cc(on1)C(=O)Nc1cc(Cl)ccc1[*:1]
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C(C)C)no1 CC(C)[*:1] CC(C)c1cc(on1)C(=O)Nc1cc(Cl)ccc1C(=O)N[*:1]
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C(C)C)no1 CC(C)[*:1] CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(no1)[*:1]
Cc1nc2ccc(NC(=O)C(=O)NC3CC[NH+](CC4CCCCC4)CC3)cc2o1 C1CCC(CC1)C[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)NC1CC[NH+](CC1)[*:1]
Cc1nc2ccc(NC(=O)C(=O)NC3CC[NH+](CC4CCCCC4)CC3)cc2o1 C1CCC(CC1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)NC1CC[NH+](CC1)C[*:1]
NC(=O)COc1ccc(Oc2nnc(-c3ccccc3)s2)cc1 NC(=O)C[*:1] c1ccc(cc1)-c1nnc(Oc2ccc(cc2)O[*:1])s1
NC(=O)COc1ccc(Oc2nnc(-c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] NC(=O)COc1ccc(cc1)Oc1nnc(s1)[*:1]
NC(=O)COc1ccc(Oc2nnc(-c3ccccc3)s2)cc1 NC(=O)CO[*:1] c1ccc(cc1)-c1nnc(Oc2ccc(cc2)[*:1])s1
NC(=O)COc1ccc(Oc2nnc(-c3ccccc3)s2)cc1 NC(=O)[*:1] c1ccc(cc1)-c1nnc(Oc2ccc(cc2)OC[*:1])s1
COc1ccc(NC(=O)C(=O)NCC2CCC2)cc1OC1CCCC1 C1CC(C1)[*:1] COc1ccc(cc1OC1CCCC1)NC(=O)C(=O)NC[*:1]
COc1ccc(NC(=O)C(=O)NCC2CCC2)cc1OC1CCCC1 C1CCC(C1)O[*:1] COc1ccc(cc1[*:1])NC(=O)C(=O)NCC1CCC1
COc1ccc(NC(=O)C(=O)NCC2CCC2)cc1OC1CCCC1 C1CC(C1)C[*:1] COc1ccc(cc1OC1CCCC1)NC(=O)C(=O)N[*:1]
COc1ccc(NC(=O)C(=O)NCC2CCC2)cc1OC1CCCC1 C1CCC(C1)[*:1] COc1ccc(cc1O[*:1])NC(=O)C(=O)NCC1CCC1
C[C@H](C(=O)NCc1cccnc1)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)NCc1cccnc1)[*:1]
CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)s2)sc(C)c1C Clc1ccc(C[*:1])s1 CCOC(=O)c1c(NC(=O)[*:1])sc(C)c1C
CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)s2)sc(C)c1C Clc1ccc(s1)[*:1] CCOC(=O)c1c(NC(=O)C[*:1])sc(C)c1C
CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)s2)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)Cc2ccc(Cl)s2)c(c1C)[*:1]
Cc1cnn(C2C[NH+](CC(=O)N(Cc3cccs3)C3CC3)C2)c1 C1CC1[*:1] Cc1cnn(c1)C1C[NH+](CC(=O)N(Cc2cccs2)[*:1])C1
Cc1cnn(C2C[NH+](CC(=O)N(Cc3cccs3)C3CC3)C2)c1 c1csc(c1)C[*:1] Cc1cnn(c1)C1C[NH+](CC(=O)N(C2CC2)[*:1])C1
Cc1cnn(C2C[NH+](CC(=O)N(Cc3cccs3)C3CC3)C2)c1 Cc1cnn(c1)[*:1] O=C(C[NH+]1CC(C1)[*:1])N(Cc1cccs1)C1CC1
Cc1cnn(C2C[NH+](CC(=O)N(Cc3cccs3)C3CC3)C2)c1 c1csc(c1)[*:1] Cc1cnn(c1)C1C[NH+](CC(=O)N(C[*:1])C2CC2)C1
Cc1ccc(NC(=O)c2ccc(-c3cc(N4CCOCC4)ncn3)cc2)cc1Cl C1CN(CCO1)[*:1] Cc1ccc(cc1Cl)NC(=O)c1ccc(cc1)-c1cc(ncn1)[*:1]
Cc1ccc(NC(=O)c2ccc(-c3cc(N4CCOCC4)ncn3)cc2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N[*:1])c1ccc(cc1)-c1cc(ncn1)N1CCOCC1
COc1ccc(C[NH2+][C@@H]2CCCC2(C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C[NH2+][C@@H]1CCCC1(C)C
Cc1nc(C2CC[NH+](CCOc3ccccc3Br)CC2)no1 Cc1nc(no1)[*:1] Brc1ccccc1OCC[NH+]1CCC(CC1)[*:1]
Cc1nc(C2CC[NH+](CCOc3ccccc3Br)CC2)no1 Brc1ccccc1[*:1] Cc1nc(no1)C1CC[NH+](CCO[*:1])CC1
C=CCNC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 C=CC[*:1] O=C(NCc1csc(n1)-c1ccc(cc1)C(F)(F)F)N[*:1]
C=CCNC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 C=CCNC(=O)N[*:1] FC(F)(F)c1ccc(cc1)-c1nc(cs1)C[*:1]
C=CCNC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] C=CCNC(=O)NCc1csc(n1)-c1ccc(cc1)[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ccc(Cl)cn1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCCN1C(=O)c1ccc(Cl)cn1)O[*:1]
CCCN(CCC)C(=O)CN1CCOC[C@@H]1C(N)=O NC(=O)[*:1] CCCN(CCC)C(=O)CN1CCOC[C@H]1[*:1]
CCCN(CCC)C(=O)CN1CCOC[C@@H]1C(N)=O CCC[*:1] CCCN(C(=O)CN1CCOC[C@@H]1C(N)=O)[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc(C)n2C)c(C)c1 Cc1nnc(S[*:1])n1C Cc1cc(C)c(NC(=O)CNC(=O)C[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc(C)n2C)c(C)c1 Cc1nnc(n1C)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)CS[*:1])c(C)c1
CC(C)c1c(C(=O)N[C@H](C)c2cc3ccccc3o2)cnn1-c1ccccn1 c1ccc2oc(cc2c1)[*:1] CC(C)c1c(cnn1-c1ccccn1)C(=O)N[C@H](C)[*:1]
CC(C)c1c(C(=O)N[C@H](C)c2cc3ccccc3o2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] CC(C)c1c(cnn1[*:1])C(=O)N[C@H](C)c1cc2ccccc2o1
CC(C)c1c(C(=O)N[C@H](C)c2cc3ccccc3o2)cnn1-c1ccccn1 CC(C)[*:1] C[C@@H](NC(=O)c1cnn(-c2ccccn2)c1[*:1])c1cc2ccccc2o1
COc1cccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)c1F Cc1ccc(cc1)C[*:1] COc1cccc(C(=O)Nc2ccnn2[*:1])c1F
COc1cccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)c1F Cc1ccc(cc1)[*:1] COc1cccc(C(=O)Nc2ccnn2C[*:1])c1F
N/C(=N\O)[C@@H](NC(=O)c1ccncc1Cl)C1CCCCC1 C1CCC(CC1)[*:1] N/C(=N\O)[C@@H](NC(=O)c1ccncc1Cl)[*:1]
N/C(=N\O)[C@@H](NC(=O)c1ccncc1Cl)C1CCCCC1 Clc1cnccc1[*:1] N/C(=N\O)[C@@H](NC(=O)[*:1])C1CCCCC1
N/C(=N\O)[C@@H](NC(=O)c1ccncc1Cl)C1CCCCC1 N/C(=N\O)[*:1] O=C(N[C@@H](C1CCCCC1)[*:1])c1ccncc1Cl
C[NH2+][C@](C)(C(N)=O)C1(C)CC1 NC(=O)[*:1] C[NH2+][C@](C)(C1(C)CC1)[*:1]
CC[C@H](C)NC(=O)C[C@H](c1cccc(F)c1)c1cn(C)c2ccccc12 CC[C@H](C)NC(=O)[*:1] Cn1cc(c2ccccc21)[C@H](C[*:1])c1cccc(F)c1
CC[C@H](C)NC(=O)C[C@H](c1cccc(F)c1)c1cn(C)c2ccccc12 CC[C@H](C)[*:1] Cn1cc(c2ccccc21)[C@H](CC(=O)N[*:1])c1cccc(F)c1
CC[C@H](C)NC(=O)C[C@H](c1cccc(F)c1)c1cn(C)c2ccccc12 CC[C@H](C)NC(=O)C[*:1] Cn1cc(c2ccccc21)[C@@H](c1cccc(F)c1)[*:1]
CC[C@H](C)NC(=O)C[C@H](c1cccc(F)c1)c1cn(C)c2ccccc12 Fc1cccc(c1)[*:1] CC[C@H](C)NC(=O)C[C@H](c1cn(C)c2ccccc12)[*:1]
CC(=O)Nc1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)C[*:1] CC(=O)Nc1cccc(c1)NC(=O)N1CC[C@@H](C1)OC[*:1]
CC(=O)Nc1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(=O)N[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)NC(=O)N1CC[C@@H](C1)OCC[*:1]
CC(=O)Nc1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)CC[*:1] CC(=O)Nc1cccc(c1)NC(=O)N1CC[C@@H](C1)O[*:1]
CC(=O)Nc1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)CCO[*:1] CC(=O)Nc1cccc(c1)NC(=O)N1CC[C@H](C1)[*:1]
O=C(/C=C/c1cccs1)Nc1ccc(I)cc1 c1csc(c1)[*:1] O=C(C=C[*:1])Nc1ccc(I)cc1
C[C@H]1Cc2ccccc2N1CC(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H]1Cc2ccccc2N1CC(=O)N[*:1]
C[C@H]1Cc2ccccc2N1CC(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H]1Cc2ccccc2N1CC(=O)NC[*:1]
CC[C@H](C)[C@H](NC(=O)/C=C/C1CC1)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)/C=C/C1CC1)[*:1]
CC[C@H](C)[C@H](NC(=O)/C=C/C1CC1)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@@H](NC(=O)/C=C/C1CC1)[*:1]
CC[C@H](C)[C@H](NC(=O)/C=C/C1CC1)C(N)=O C(=C[*:1])C1CC1 CC[C@H](C)[C@H](NC(=O)[*:1])C(N)=O
CC[C@H](C)[C@H](NC(=O)/C=C/C1CC1)C(N)=O C1CC1[*:1] CC[C@H](C)[C@H](NC(=O)C=C[*:1])C(N)=O
CC(C)N(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)CCc1ncc(o1)-c1ccc(F)cc1F)[*:1]
CC(C)N(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C1CCC1 CC(C)[*:1] O=C(CCc1ncc(o1)-c1ccc(F)cc1F)N(C1CCC1)[*:1]
CC(C)N(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C1CCC1 Fc1ccc(c(F)c1)[*:1] CC(C)N(C(=O)CCc1ncc(o1)[*:1])C1CCC1
CCn1cccc(-c2nnc(SCC(=O)NC3CCCC3)n2C)c1=O C1CCC(C1)[*:1] CCn1cccc(-c2nnc(SCC(=O)N[*:1])n2C)c1=O
CCn1cccc(-c2nnc(SCC(=O)NC3CCCC3)n2C)c1=O O=C(NC1CCCC1)[*:1] CCn1cccc(-c2nnc(SC[*:1])n2C)c1=O
Cc1ccc(C(=O)N2CCC[C@@H](OCc3ccc(F)c(F)c3)C2)cc1 Fc1ccc(cc1F)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)OC[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](OCc3ccc(F)c(F)c3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(N1CCC[C@H](C1)OCc1ccc(F)c(F)c1)[*:1]
CCc1cccc(C)c1NC(=O)Cn1nc2cc(C)nc(N3CCc4ccccc4C3)n2c1=O c1ccc2CN(CCc2c1)[*:1] CCc1cccc(C)c1NC(=O)Cn1nc2cc(C)nc(n2c1=O)[*:1]
CCc1cccc(C)c1NC(=O)Cn1nc2cc(C)nc(N3CCc4ccccc4C3)n2c1=O CCc1cccc(C)c1[*:1] Cc1cc2nn(CC(=O)N[*:1])c(=O)n2c(n1)N1CCc2ccccc2C1
CC[C@H](C(=O)[C@H](C#N)c1ccccn1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](C(=O)[C@H](C#N)c1ccccn1)c1cccc(c1)[*:1]
CC[C@H](C(=O)[C@H](C#N)c1ccccn1)c1cccc(C(F)(F)F)c1 c1ccc(nc1)[*:1] CC[C@H](C(=O)[C@H](C#N)[*:1])c1cccc(c1)C(F)(F)F
CCC[C@H](C)[NH2+]C[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CCC[C@H](C)[NH2+]C[C@H]1CCCN(C1)[*:1]
CCC[C@H](C)[NH2+]C[C@H]1CCCN(c2ncccn2)C1 CCC[*:1] C[C@H]([NH2+]C[C@H]1CCCN(C1)c1ncccn1)[*:1]
C[C@@H](CCO)Nc1ncc(Cl)cc1F OCC[*:1] C[C@@H](Nc1ncc(Cl)cc1F)[*:1]
Cc1cnn(CCC(=O)N2CCC[NH+](Cc3cscn3)CC2)c1 c1nc(cs1)C[*:1] Cc1cnn(c1)CCC(=O)N1CCC[NH+](CC1)[*:1]
Cc1cnn(CCC(=O)N2CCC[NH+](Cc3cscn3)CC2)c1 c1nc(cs1)[*:1] Cc1cnn(c1)CCC(=O)N1CCC[NH+](CC1)C[*:1]
Cc1cnn(CCC(=O)N2CCC[NH+](Cc3cscn3)CC2)c1 Cc1cnn(c1)C[*:1] O=C(C[*:1])N1CCC[NH+](CC1)Cc1cscn1
Cc1cnn(CCC(=O)N2CCC[NH+](Cc3cscn3)CC2)c1 Cc1cnn(c1)[*:1] O=C(CC[*:1])N1CCC[NH+](CC1)Cc1cscn1
Cc1ccc(Cn2c(=O)c3c(nc4n(C(C)C)c(C)c(C)n34)n(C)c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1C(C)C
Cc1ccc(Cn2c(=O)c3c(nc4n(C(C)C)c(C)c(C)n34)n(C)c2=O)cc1 Cc1ccc(cc1)C[*:1] Cc1c(C)n2c3c(=O)n(c(=O)n(C)c3nc2n1C(C)C)[*:1]
Cc1ccc(Cn2c(=O)c3c(nc4n(C(C)C)c(C)c(C)n34)n(C)c2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)Cn1c(=O)c2c(nc3n(c(C)c(C)n23)[*:1])n(C)c1=O
CCC(=O)Nc1cccc(NC(=O)N[C@H]2CCC[C@H](CC)C2)c1 CCC(=O)N[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)Nc1cccc(c1)[*:1]
C[C@H](NS(C)(=O)=O)C(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 CS(=O)(=O)N[*:1] C[C@@H](c1ccc(Cl)cc1)N1CCN(CC1)C(=O)[C@@H](C)[*:1]
C[C@H](NS(C)(=O)=O)C(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 C[C@H](NS(C)(=O)=O)[*:1] C[C@@H](c1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
C[C@H](NS(C)(=O)=O)C(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@H](NS(C)(=O)=O)C(=O)N1CCN(CC1)[C@@H](C)[*:1]
Cc1ccc(C(=O)NNC(=O)c2ccc(-c3cscn3)cc2)c(O)c1 c1nc(cs1)[*:1] Cc1ccc(C(=O)NNC(=O)c2ccc(cc2)[*:1])c(O)c1
Cc1ccc(C(=O)NNC(=O)c2ccc(-c3cscn3)cc2)c(O)c1 Cc1ccc(c(O)c1)[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)-c1cscn1
NC(=O)CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2Cc2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)CC[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccccc1C[*:1]
NC(=O)CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] NC(=O)CC[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccccc1[*:1]
NC(=O)CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2Cc2ccccc2)C1 NC(=O)[*:1] O=C(Nc1ccccc1Cc1ccccc1)C(=O)N1CCC[C@@H](CC[*:1])C1
NC(=O)CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2Cc2ccccc2)C1 NC(=O)CC[*:1] O=C(Nc1ccccc1Cc1ccccc1)C(=O)N1CCC[C@H](C1)[*:1]
NC(=O)CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2Cc2ccccc2)C1 NC(=O)C[*:1] O=C(Nc1ccccc1Cc1ccccc1)C(=O)N1CCC[C@H](C1)C[*:1]
CN(CCCNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)[*:1]
CN(CCCNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1 CN(c1ccccc1)[*:1] O=C1C[C@@H](C(=O)NCCC[*:1])c2ccc(F)cc2N1
O=C(N[C@H]1CCOc2ccccc21)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)CC[*:1] O=C(N[C@H]1CCOc2ccccc21)N(C1CCCC1)[*:1]
O=C(N[C@H]1CCOc2ccccc21)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)C[*:1] O=C(N[C@H]1CCOc2ccccc21)N(C[*:1])C1CCCC1
O=C(N[C@H]1CCOc2ccccc21)N(CCC(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] O=C(N[C@H]1CCOc2ccccc21)N(CCC(F)(F)F)[*:1]
O=C(N[C@H]1CCOc2ccccc21)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)[*:1] O=C(N[C@H]1CCOc2ccccc21)N(CC[*:1])C1CCCC1
CCN(C(=O)c1cccc(-n2nc([O-])ccc2=O)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)c1cccc(c1)-n1nc([O-])ccc1=O)[*:1]
COC(=O)[C@]1(NC[C@H]2CCCO2)CSCC(C)(C)C1 C1CO[C@H](C1)[*:1] COC(=O)[C@@]1(CSCC(C)(C)C1)NC[*:1]
COC(=O)[C@]1(NC[C@H]2CCCO2)CSCC(C)(C)C1 C1CO[C@H](C1)C[*:1] COC(=O)[C@@]1(CSCC(C)(C)C1)N[*:1]
COC(=O)[C@]1(NC[C@H]2CCCO2)CSCC(C)(C)C1 COC(=O)[*:1] CC1(C)CSC[C@](C1)(NC[C@H]1CCCO1)[*:1]
O=C(c1cc(F)ccc1O)N1CCC[C@H](C(=O)N2CCOCC2)C1 Oc1ccc(F)cc1[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N1CCOCC1
O=C(c1cc(F)ccc1O)N1CCC[C@H](C(=O)N2CCOCC2)C1 O=C(N1CCOCC1)[*:1] O=C(c1cc(F)ccc1O)N1CCC[C@H](C1)[*:1]
Cc1cc(I)ccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 Cc1cc(I)ccc1[*:1] O=C(CSc1nnc(o1)-c1ccc(F)cc1)N[*:1]
Cc1cc(I)ccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] Cc1cc(I)ccc1NC(=O)CSc1nnc(o1)[*:1]
Cc1ncc([C@H](C)NC[C@H](CC(C)C)[NH+]2CCCC2)s1 Cc1ncc(s1)[*:1] CC(C)C[C@@H](CN[C@@H](C)[*:1])[NH+]1CCCC1
Cc1ncc([C@H](C)NC[C@H](CC(C)C)[NH+]2CCCC2)s1 CC(C)C[*:1] Cc1ncc(s1)[C@H](C)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1ncc([C@H](C)NC[C@H](CC(C)C)[NH+]2CCCC2)s1 CC(C)[*:1] Cc1ncc(s1)[C@H](C)NC[C@H](C[*:1])[NH+]1CCCC1
C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)n1cccn1 C[C@@H](n1cccn1)[*:1] O=C(NCc1ccccc1C[NH+]1CCCCC1)[*:1]
C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1CS[C@@H](C)[C@@H](C)O C[C@@H](O)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1CS[C@@H](C)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1CS[C@@H](C)[C@@H](C)O c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1CS[C@@H](C)[C@@H](C)O)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1cccc(Cn2nc(C)cc2C)c1 Cc1cc(C)n(C[*:1])n1 CCN(C[C@H](C)C#N)C(=O)Nc1cccc(c1)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1cccc(Cn2nc(C)cc2C)c1 Cc1cc(C)n(n1)[*:1] CCN(C[C@H](C)C#N)C(=O)Nc1cccc(c1)C[*:1]
COc1ccc2c(c1)OCC(C(=O)Nc1ccccc1F)=C2 Fc1ccccc1[*:1] COc1ccc2C=C(COc2c1)C(=O)N[*:1]
Cc1cc(C)n(CCNC(=O)CNC(=O)c2c[nH]c3ccccc23)n1 Cc1cc(C)n(C[*:1])n1 O=C(CNC(=O)c1c[nH]c2ccccc12)NC[*:1]
Cc1cc(C)n(CCNC(=O)CNC(=O)c2c[nH]c3ccccc23)n1 Cc1cc(C)n(n1)[*:1] O=C(CNC(=O)c1c[nH]c2ccccc12)NCC[*:1]
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)cc12 c1ccc(cc1)[*:1] Cc1nn(-c2ccc(F)cc2)c2sc(cc12)C(=O)NNC(=O)c1ccc(CO[*:1])o1
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)cc12 c1ccc(cc1)O[*:1] Cc1nn(-c2ccc(F)cc2)c2sc(cc12)C(=O)NNC(=O)c1ccc(C[*:1])o1
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)cc12 Fc1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1)[*:1]
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)cc12 c1ccc(cc1)OC[*:1] Cc1nn(-c2ccc(F)cc2)c2sc(cc12)C(=O)NNC(=O)c1ccc(o1)[*:1]
C1=CC[C@H]([C@@H]2OC[C@H](COCCN3CCOCC3)O2)CC1 C1CN(CCO1)[*:1] C1=CC[C@@H](CC1)[C@@H]1OC[C@H](COCC[*:1])O1
C1=CC[C@H]([C@@H]2OC[C@H](COCCN3CCOCC3)O2)CC1 C1CN(CCO1)C[*:1] C1=CC[C@@H](CC1)[C@@H]1OC[C@H](COC[*:1])O1
CCOCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 CCOC[*:1] C[C@@H]1CCc2c(C1)sc1nc(SC[*:1])n(C[C@H]3CCCO3)c(=O)c21
CCOCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 CCO[*:1] C[C@@H]1CCc2c(C1)sc1nc(SCC[*:1])n(C[C@H]3CCCO3)c(=O)c21
CCOCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 CCOCCS[*:1] C[C@@H]1CCc2c(C1)sc1nc(n(C[C@H]3CCCO3)c(=O)c21)[*:1]
CCOCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 C1CO[C@H](C1)[*:1] CCOCCSc1nc2sc3C[C@H](C)CCc3c2c(=O)n1C[*:1]
CCOCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 CCOCC[*:1] C[C@@H]1CCc2c(C1)sc1nc(S[*:1])n(C[C@H]3CCCO3)c(=O)c21
CCOCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 C1CO[C@H](C1)C[*:1] CCOCCSc1nc2sc3C[C@H](C)CCc3c2c(=O)n1[*:1]
C[C@H]1Oc2ccc(NC(=O)CCCNC(=O)c3cccs3)cc2NC1=O O=C(N[*:1])c1cccs1 C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)CCC[*:1]
C[C@H]1Oc2ccc(NC(=O)CCCNC(=O)c3cccs3)cc2NC1=O c1csc(c1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)CCCNC(=O)[*:1]
CC(=O)N1C[C@@H](C(=O)Nc2nc(C)c(C)s2)Oc2ccccc21 Cc1nc(sc1C)[*:1] CC(=O)N1C[C@H](Oc2ccccc21)C(=O)N[*:1]
Cc1noc(C)c1CS(=O)(=O)CCCNc1ncccn1 c1cnc(nc1)[*:1] Cc1noc(C)c1CS(=O)(=O)CCCN[*:1]
Cc1noc(C)c1CS(=O)(=O)CCCNc1ncccn1 Cc1noc(C)c1[*:1] O=S(=O)(CCCNc1ncccn1)C[*:1]
Cc1noc(C)c1CS(=O)(=O)CCCNc1ncccn1 c1cnc(nc1)N[*:1] Cc1noc(C)c1CS(=O)(=O)CCC[*:1]
CC[C@H](C)CN(CC)C(=O)[C@@H]([NH3+])CC(N)=O NC(=O)C[*:1] CC[C@H](C)CN(CC)C(=O)[C@@H]([NH3+])[*:1]
CC[C@H](C)CN(CC)C(=O)[C@@H]([NH3+])CC(N)=O NC(=O)[*:1] CC[C@H](C)CN(CC)C(=O)[C@@H]([NH3+])C[*:1]
CC[C@H](C)CN(CC)C(=O)[C@@H]([NH3+])CC(N)=O CC[C@H](C)[*:1] CCN(C[*:1])C(=O)[C@@H]([NH3+])CC(N)=O
CC[C@H](C)CN(CC)C(=O)[C@@H]([NH3+])CC(N)=O CC[C@H](C)C[*:1] CCN(C(=O)[C@@H]([NH3+])CC(N)=O)[*:1]
CCCC(=O)Nc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 CCCC(=O)N[*:1] Cn1c(=O)c2c(nc(Cl)n2CC(=O)c2ccc(cc2)[*:1])n(C)c1=O
CCCC(=O)Nc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1 CCC[*:1] Cn1c(=O)c2c(nc(Cl)n2CC(=O)c2ccc(cc2)NC(=O)[*:1])n(C)c1=O
O=C1Cc2cccc(C(=O)NCC3CCCCC3)c2N1 C1CCC(CC1)[*:1] O=C1Cc2cccc(C(=O)NC[*:1])c2N1
CCCC(=CC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CCC CCC[*:1] CCCC(=CC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[*:1]
CCCC(=CC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CCC NC(=O)[*:1] CCCC(=CC(=O)Nc1ccc(c(Cl)c1)[*:1])CCC
CCn1nc(C)c2nc([C@@H](C)Cl)n(CC3CCOCC3)c21 C[C@@H](Cl)[*:1] CCn1nc(C)c2nc(n(CC3CCOCC3)c21)[*:1]
CCn1nc(C)c2nc([C@@H](C)Cl)n(CC3CCOCC3)c21 C1CC(CCO1)[*:1] CCn1nc(C)c2nc([C@@H](C)Cl)n(C[*:1])c21
CCn1nc(C)c2nc([C@@H](C)Cl)n(CC3CCOCC3)c21 C1CC(CCO1)C[*:1] CCn1nc(C)c2nc([C@@H](C)Cl)n(c21)[*:1]
C1=[N+]([C@@H]2CCN(c3ncnc4scc(-c5ccccc5)c34)C2)CCC1 c1ccc(cc1)[*:1] C1CCC[N+]=1[C@@H]1CCN(C1)c1ncnc2scc(c12)[*:1]
C[C@@H](Oc1ccc(OC(=O)c2cc(C#N)cn2C)cc1)C(N)=O C[C@@H](C(N)=O)[*:1] Cn1cc(C#N)cc1C(=O)Oc1ccc(cc1)O[*:1]
C[C@@H](Oc1ccc(OC(=O)c2cc(C#N)cn2C)cc1)C(N)=O NC(=O)[*:1] C[C@@H](Oc1ccc(cc1)OC(=O)c1cc(C#N)cn1C)[*:1]
C[C@@H](Oc1ccc(OC(=O)c2cc(C#N)cn2C)cc1)C(N)=O C[C@@H](O[*:1])C(N)=O Cn1cc(C#N)cc1C(=O)Oc1ccc(cc1)[*:1]
CCc1ccc(NC(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)cc1 Clc1cnc(c(Cl)c1)[*:1] CCc1ccc(cc1)NC(=O)C(=O)NCCN[*:1]
CCc1ccc(NC(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)cc1 CCc1ccc(cc1)[*:1] O=C(NCCNc1ncc(Cl)cc1Cl)C(=O)N[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N[C@H]2C[C@@H]2C)n1 C[C@H]1C[C@@H]1[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)N[*:1]
CSCC[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 O=C(N[*:1])C1CCCC1 CSCC[C@@H](C(=O)Nc1ccc2oc(=O)[nH]c2c1)[*:1]
CSCC[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 CSC[*:1] O=C(N[C@H](C[*:1])C(=O)Nc1ccc2oc(=O)[nH]c2c1)C1CCCC1
CSCC[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 C1CCC(C1)[*:1] CSCC[C@@H](NC(=O)[*:1])C(=O)Nc1ccc2oc(=O)[nH]c2c1
CSCC[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 CSCC[*:1] O=C(N[C@@H](C(=O)Nc1ccc2oc(=O)[nH]c2c1)[*:1])C1CCCC1
O=C(c1cccnc1Cl)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1 c1cc(ccn1)[*:1] O=C(c1cccnc1Cl)N1CCC(O)(CC1)Cn1ccc2nc(ccc21)[*:1]
O=C(c1cccnc1Cl)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1 Clc1ncccc1[*:1] O=C(N1CCC(O)(CC1)Cn1ccc2nc(ccc21)-c1ccncc1)[*:1]
CCSc1ccccc1NC(=O)CSc1nc2ccc(N)cc2s1 CCS[*:1] Nc1ccc2nc(SCC(=O)Nc3ccccc3[*:1])sc2c1
CCc1cccc(C)c1N(C(=O)Cn1c(=O)[nH]c2ccccc21)[C@H](C)COC CCc1cccc(C)c1[*:1] COC[C@@H](C)N(C(=O)Cn1c(=O)[nH]c2ccccc21)[*:1]
CCc1cccc(C)c1N(C(=O)Cn1c(=O)[nH]c2ccccc21)[C@H](C)COC COC[*:1] CCc1cccc(C)c1N(C(=O)Cn1c(=O)[nH]c2ccccc21)[C@H](C)[*:1]
Cc1nc(CNC(=O)[C@H]2C[C@H]2C2CC2)c(C)s1 C1CC1[*:1] Cc1nc(CNC(=O)[C@H]2C[C@@H]2[*:1])c(C)s1
Cn1nc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)C[*:1])C(=O)N1CCN(CC1)Cc1ccc(Cl)cc1
Cn1nc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)N1CCN(CC1)Cc1ccc(Cl)cc1
Cn1nc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1NC(=O)Cc1ccccc1 Clc1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)C[*:1]
Cn1nc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1NC(=O)Cc1ccccc1 O=C(Cc1ccccc1)N[*:1] Cn1nc(cc1[*:1])C(=O)N1CCN(CC1)Cc1ccc(Cl)cc1
Cn1nc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1NC(=O)Cc1ccccc1 Clc1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)[*:1]
COc1ccccc1CCNC(=O)C1CCN(Cc2nc3ccc(C)cc3[nH]2)CC1 Cc1ccc2nc([nH]c2c1)[*:1] COc1ccccc1CCNC(=O)C1CCN(CC1)C[*:1]
COc1ccccc1CCNC(=O)C1CCN(Cc2nc3ccc(C)cc3[nH]2)CC1 COc1ccccc1CC[*:1] Cc1ccc2nc(CN3CCC(CC3)C(=O)N[*:1])[nH]c2c1
COc1ccccc1CCNC(=O)C1CCN(Cc2nc3ccc(C)cc3[nH]2)CC1 COc1ccccc1C[*:1] Cc1ccc2nc(CN3CCC(CC3)C(=O)NC[*:1])[nH]c2c1
COc1ccccc1CCNC(=O)C1CCN(Cc2nc3ccc(C)cc3[nH]2)CC1 COc1ccccc1[*:1] Cc1ccc2nc(CN3CCC(CC3)C(=O)NCC[*:1])[nH]c2c1
CN(Cc1cccs1)C(=O)CCc1cnn(-c2ccccc2)c1 c1csc(c1)[*:1] CN(C[*:1])C(=O)CCc1cnn(c1)-c1ccccc1
CN(Cc1cccs1)C(=O)CCc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CN(Cc1cccs1)C(=O)CCc1cnn(c1)[*:1]
CN(Cc1cccs1)C(=O)CCc1cnn(-c2ccccc2)c1 c1csc(c1)C[*:1] CN(C(=O)CCc1cnn(c1)-c1ccccc1)[*:1]
O=C([O-])[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]c1=O O=[N+]([O-])[*:1] O=C([O-])[C@H]1CCCCN1C(=O)c1cc(c[nH]c1=O)[*:1]
O=C([O-])[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]c1=O O=C([O-])[*:1] O=C(c1cc(c[nH]c1=O)[N+](=O)[O-])N1CCCC[C@@H]1[*:1]
CC[C@H](C)NC(=O)CCNC(=O)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)CCNC(=O)C1CCC(=O)N(N=1)[*:1]
CC[C@H](C)NC(=O)CCNC(=O)C1=NN(c2ccccc2)C(=O)CC1 CC[C@H](C)[*:1] O=C(CCNC(=O)C1CCC(=O)N(N=1)c1ccccc1)N[*:1]
CC[C@H](C)NC(=O)CCNC(=O)C1=NN(c2ccccc2)C(=O)CC1 CC[C@H](C)NC(=O)[*:1] O=C(NCC[*:1])C1CCC(=O)N(N=1)c1ccccc1
CC[C@H](C)NC(=O)CCNC(=O)C1=NN(c2ccccc2)C(=O)CC1 CC[C@H](C)NC(=O)C[*:1] O=C(NC[*:1])C1CCC(=O)N(N=1)c1ccccc1
CCCCOc1ccc(CN2CCO[C@H](c3nc(C)cs3)C2)cc1 CCCCO[*:1] Cc1csc(n1)[C@@H]1CN(CCO1)Cc1ccc(cc1)[*:1]
CCCCOc1ccc(CN2CCO[C@H](c3nc(C)cs3)C2)cc1 CCC[*:1] Cc1csc(n1)[C@@H]1CN(CCO1)Cc1ccc(cc1)OC[*:1]
CCCCOc1ccc(CN2CCO[C@H](c3nc(C)cs3)C2)cc1 CCCC[*:1] Cc1csc(n1)[C@@H]1CN(CCO1)Cc1ccc(cc1)O[*:1]
CCCCOc1ccc(CN2CCO[C@H](c3nc(C)cs3)C2)cc1 Cc1csc(n1)[*:1] CCCCOc1ccc(cc1)CN1CCO[C@H](C1)[*:1]
CC[C@@H](CO)NC(=O)NC[C@@H](C)c1ccsc1 CC[C@@H](CO)[*:1] C[C@H](CNC(=O)N[*:1])c1ccsc1
CC[C@@H](CO)NC(=O)NC[C@@H](C)c1ccsc1 c1cc(cs1)[*:1] CC[C@@H](CO)NC(=O)NC[C@@H](C)[*:1]
Cc1ccc(Cn2ccn(-c3ccc4c(c3)OCO4)c(=O)c2=O)cc1 Cc1ccc(cc1)C[*:1] O=c1c(=O)n(ccn1-c1ccc2OCOc2c1)[*:1]
Cc1ccc(Cn2ccn(-c3ccc4c(c3)OCO4)c(=O)c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c(=O)n(ccn1C[*:1])-c1ccc2OCOc2c1
Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N[C@H](C)c2ccccn2)o1 c1ccc(nc1)[*:1] Cc1nnc(o1)-c1c(C)[nH]c(C)c1S(=O)(=O)N[C@H](C)[*:1]
Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N[C@H](C)c2ccccn2)o1 C[C@H](c1ccccn1)[*:1] Cc1nnc(o1)-c1c(C)[nH]c(C)c1S(=O)(=O)N[*:1]
Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N[C@H](C)c2ccccn2)o1 Cc1nnc(o1)[*:1] Cc1[nH]c(C)c(c1S(=O)(=O)N[C@H](C)c1ccccn1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3C[C@H](C)OC[C@@H]3C)CC2=O)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CN(C(=O)[C@H]2CC(=O)N(C2)[*:1])[C@@H](C)CO1
C[NH2+][C@@H](Cc1ccsc1)C(C)(C)[NH+]1CCCC1 c1cc(cs1)[*:1] C[NH2+][C@@H](C[*:1])C(C)(C)[NH+]1CCCC1
CCc1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOC)cc1 COC[*:1] CCc1ccc(cc1)[C@@H]1NC(=O)N(C)C(C)=C1C(=O)OC[*:1]
CCc1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOC)cc1 COCC[*:1] CCc1ccc(cc1)[C@@H]1NC(=O)N(C)C(C)=C1C(=O)O[*:1]
CCc1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOC)cc1 CCc1ccc(cc1)[*:1] COCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1[*:1]
CCc1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOC)cc1 COCCOC(=O)[*:1] CCc1ccc(cc1)[C@@H]1NC(=O)N(C)C(C)=C1[*:1]
CSCCC[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 CSC[*:1] CS(=O)(=O)N1CCC[C@@H](C[NH2+]CC[*:1])C1
CSCCC[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 CSCC[*:1] CS(=O)(=O)N1CCC[C@@H](C[NH2+]C[*:1])C1
CSCCC[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 CSCCC[*:1] CS(=O)(=O)N1CCC[C@@H](C[NH2+][*:1])C1
O=C([O-])c1cc2cnc(Cl)cc2[nH]1 O=C([O-])[*:1] Clc1cc2[nH]c(cc2cn1)[*:1]
Cc1nc(N)sc1-c1nc([C@]2(C)CCCO2)no1 C[C@@]1(CCCO1)[*:1] Cc1nc(N)sc1-c1nc(no1)[*:1]
CCC[C@@H](CC[NH3+])CCc1nc2cc(C)cc(C)c2o1 CCC[*:1] Cc1cc(C)c2oc(CC[C@H](CC[NH3+])[*:1])nc2c1
CCC[C@@H](CC[NH3+])CCc1nc2cc(C)cc(C)c2o1 [NH3+]CC[*:1] CCC[C@@H](CCc1nc2cc(C)cc(C)c2o1)[*:1]
Cc1cc([C@H](C)NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c(C)s1 c1cncc(c1)[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)N(C[C@@H]1CCCO1)C[*:1]
Cc1cc([C@H](C)NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)[*:1]
Cc1cc([C@H](C)NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c(C)s1 C1CO[C@@H](C1)[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)N(Cc1cccnc1)C[*:1]
Cc1cc([C@H](C)NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c(C)s1 C1CO[C@@H](C1)C[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)N(Cc1cccnc1)[*:1]
Cc1cc([C@H](C)NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c(C)s1 c1cncc(c1)C[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)N(C[C@@H]1CCCO1)[*:1]
Cc1cc(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)ccc1F OCCC[*:1] Cc1cc(ccc1F)C(=O)N1CCC2(CCC(=O)N(C2)[*:1])CC1
Cc1cc(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)ccc1F OCC[*:1] Cc1cc(ccc1F)C(=O)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
Cc1cc(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)ccc1F Cc1cc(ccc1F)[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1CCCO
O=C(Cc1ccc(F)cc1F)Oc1cccc(Oc2ncccn2)c1 Fc1ccc(c(F)c1)[*:1] O=C(C[*:1])Oc1cccc(c1)Oc1ncccn1
O=C(Cc1ccc(F)cc1F)Oc1cccc(Oc2ncccn2)c1 c1cnc(nc1)O[*:1] O=C(Cc1ccc(F)cc1F)Oc1cccc(c1)[*:1]
O=C(Cc1ccc(F)cc1F)Oc1cccc(Oc2ncccn2)c1 c1cnc(nc1)[*:1] O=C(Cc1ccc(F)cc1F)Oc1cccc(c1)O[*:1]
O=C(NCc1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCc1cc2ccccc2[nH]1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCc1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc2[nH]c(cc2c1)[*:1] O=C(NC[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
COC(=O)[C@H](Cl)Cc1ccc(Cl)cc1F COC(=O)[*:1] Fc1cc(Cl)ccc1C[C@@H](Cl)[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccnn3Cc3cccc4ccccc34)c12 c1ccc2c(cccc2c1)C[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3ccnn3[*:1])c12)C1CC1
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccnn3Cc3cccc4ccccc34)c12 c1ccc2c(cccc2c1)[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3ccnn3C[*:1])c12)C1CC1
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccnn3Cc3cccc4ccccc34)c12 C1CC1[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3ccnn3Cc3cccc4ccccc34)c12)[*:1]
CCOCCN(CC)c1ccc(C(=O)NC)n[nH+]1 CNC(=O)[*:1] CCOCCN(CC)c1ccc(n[nH+]1)[*:1]
CCOCCN(CC)c1ccc(C(=O)NC)n[nH+]1 CCOCC[*:1] CCN(c1ccc(n[nH+]1)C(=O)NC)[*:1]
CCOCCN(CC)c1ccc(C(=O)NC)n[nH+]1 CCO[*:1] CCN(CC[*:1])c1ccc(n[nH+]1)C(=O)NC
CCOCCN(CC)c1ccc(C(=O)NC)n[nH+]1 CCOC[*:1] CCN(C[*:1])c1ccc(n[nH+]1)C(=O)NC
CCN(CC)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 c1ccc(cc1)[*:1] CCN(CC)C(=O)CCc1c([nH]c2ccc(F)cc12)[*:1]
CCN(CC)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 CCN(CC)C(=O)[*:1] Fc1ccc2[nH]c(-c3ccccc3)c(CC[*:1])c2c1
CCN(CC)C(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 CCN(CC)C(=O)C[*:1] Fc1ccc2[nH]c(-c3ccccc3)c(C[*:1])c2c1
COc1ccc(OC)c(-n2c(SC)nc3c(sc(=S)n3-c3ccccc3)c2=O)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)-n1c(nc2c(sc(=S)n2[*:1])c1=O)SC
OCC1([NH2+]C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCCC1 Clc1ccc(cc1)[*:1] OCC1(CCCC1)[NH2+]C[C@H]1CC(=NO1)[*:1]
O=C(NCC1CC1)C1CCN(S(=O)(=O)[C@H]2C=C[C@H]([C@@H]3C=CN=N3)O2)CC1 C1CC1C[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)[C@H]1C=C[C@@H](O1)[C@@H]1C=CN=N1
O=C(NCC1CC1)C1CCN(S(=O)(=O)[C@H]2C=C[C@H]([C@@H]3C=CN=N3)O2)CC1 C1CC1[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)[C@H]1C=C[C@@H](O1)[C@@H]1C=CN=N1
O=C(NCC1CC1)C1CCN(S(=O)(=O)[C@H]2C=C[C@H]([C@@H]3C=CN=N3)O2)CC1 O=C(NCC1CC1)[*:1] O=S(=O)([C@H]1C=C[C@@H](O1)[C@@H]1C=CN=N1)N1CCC(CC1)[*:1]
CN(CCCOc1ccc(F)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 Fc1ccc(cc1)[*:1] CN(CCCO[*:1])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1
CN(CCCOc1ccc(F)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 Fc1ccc(cc1)O[*:1] CN(CCC[*:1])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1
C[C@@H](CCO)S[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N c1ccc(cc1)[*:1] C[C@@H](CCO)S[C@@H]1C[C@H](CC[C@@H]1C#N)[*:1]
C[C@@H](CCO)S[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N C[C@@H](CCO)[*:1] N#C[C@H]1CC[C@H](C[C@H]1S[*:1])c1ccccc1
C[C@@H](CCO)S[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N C[C@@H](CCO)S[*:1] N#C[C@H]1CC[C@H](C[C@H]1[*:1])c1ccccc1
C[C@@H](CCO)S[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N OCC[*:1] C[C@@H](S[C@@H]1C[C@@H](CC[C@@H]1C#N)c1ccccc1)[*:1]
N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 N#Cc1ccccc1[*:1] O=C(c1cccc(c1)OC[*:1])N1CCC[C@H]2CCCC[C@@H]21
N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 N#Cc1ccccc1C[*:1] O=C(c1cccc(c1)O[*:1])N1CCC[C@H]2CCCC[C@@H]21
Cc1ccc(NC(=O)NCc2ccccc2)cc1N1CCCCC1=O O=C1CCCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)NCc1ccccc1
Cc1ccc(NC(=O)NCc2ccccc2)cc1N1CCCCC1=O c1ccc(cc1)C[*:1] Cc1ccc(cc1N1CCCCC1=O)NC(=O)N[*:1]
Cc1ccc(NC(=O)NCc2ccccc2)cc1N1CCCCC1=O c1ccc(cc1)[*:1] Cc1ccc(cc1N1CCCCC1=O)NC(=O)NC[*:1]
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(OCC)ccc2ccccc12 CCOC(=O)[*:1] CCOc1ccc2ccccc2c1[C@@H]1C2C(=O)CC(C)(C)CC=2OC(N)=C1[*:1]
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(OCC)ccc2ccccc12 CCO[*:1] CCOC(=O)C1=C(N)OC2CC(C)(C)CC(=O)C=2[C@H]1c1c(ccc2ccccc12)[*:1]
COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1OC C1CC1[*:1] COc1cc(C)c(cc1OC)[C@H](C)[NH2+][C@@H]1CC(=O)N(C1)[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1 O=C(C[*:1])N1CCCCC1 C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1 O=C(CC[*:1])N1CCCCC1 C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[*:1]
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(O)c(Cl)c1 O=S(=O)(N1CCCC1)[*:1] O=C(NCc1ccc(s1)[*:1])c1ccc(O)c(Cl)c1
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(O)c(Cl)c1 Oc1ccc(cc1Cl)[*:1] O=C(NCc1ccc(s1)S(=O)(=O)N1CCCC1)[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccoc2C)cc1 O=C(C[*:1])Nc1nccs1 Cc1ccc(cc1)-n1c(nnc1-c1ccoc1C)S[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccoc2C)cc1 O=C(Nc1nccs1)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccoc1C)SC[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccoc2C)cc1 c1csc(n1)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccoc1C)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccoc2C)cc1 Cc1occc1[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)Nc1nccs1
Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccoc2C)cc1 Cc1ccc(cc1)[*:1] Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1[*:1]
COCCN(Cc1cccnc1)C(=O)Cc1c(Cl)cccc1Cl COC[*:1] O=C(Cc1c(Cl)cccc1Cl)N(Cc1cccnc1)C[*:1]
COCCN(Cc1cccnc1)C(=O)Cc1c(Cl)cccc1Cl c1cncc(c1)[*:1] COCCN(C[*:1])C(=O)Cc1c(Cl)cccc1Cl
COCCN(Cc1cccnc1)C(=O)Cc1c(Cl)cccc1Cl c1cncc(c1)C[*:1] COCCN(C(=O)Cc1c(Cl)cccc1Cl)[*:1]
COCCN(Cc1cccnc1)C(=O)Cc1c(Cl)cccc1Cl COCC[*:1] O=C(Cc1c(Cl)cccc1Cl)N(Cc1cccnc1)[*:1]
O=C(Nc1ccccc1)N(Cc1nnc2n1CCCCC2)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[*:1])N(Cc1nnc2CCCCCn21)c1ccccc1
O=C(Nc1ccccc1)N(Cc1nnc2n1CCCCC2)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)N(Cc1nnc2CCCCCn21)[*:1]
[NH3+][C@H]1CCC[C@H](Nc2cccc(-c3cnco3)c2)C1 c1ncc(o1)[*:1] [NH3+][C@H]1CCC[C@@H](C1)Nc1cccc(c1)[*:1]
CCOc1ccc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
CCOc1ccc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
N#CCOc1cccc(CC(=O)NNC(=O)Cn2ccc3ccccc32)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])NNC(=O)Cn1ccc2ccccc21
N#CCOc1cccc(CC(=O)NNC(=O)Cn2ccc3ccccc32)c1 c1ccc2c(c1)ccn2[*:1] N#CCOc1cccc(c1)CC(=O)NNC(=O)C[*:1]
N#CCOc1cccc(CC(=O)NNC(=O)Cn2ccc3ccccc32)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])NNC(=O)Cn1ccc2ccccc21
CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](CC(=O)Nc2ccccc2)CC1 CNC(=O)NC(=O)[*:1] O=C(C[NH+]1CCN(CC1)[C@H](c1ccccc1)[*:1])Nc1ccccc1
CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](CC(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@@H](N1CC[NH+](CC1)CC(=O)Nc1ccccc1)[*:1]
CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](CC(=O)Nc2ccccc2)CC1 O=C(C[*:1])Nc1ccccc1 CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](CC1)[*:1]
CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](CC(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](CC1)CC(=O)N[*:1]
CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](CC(=O)Nc2ccccc2)CC1 O=C(Nc1ccccc1)[*:1] CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](CC1)C[*:1]
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)N1CCCC1 C[C@@H](C(=O)N1CCCC1)[*:1] c1ccc2c(c[nH]c2c1)-c1nnc(S[*:1])n1C[C@H]1CCCO1
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)N1CCCC1 C1CO[C@H](C1)[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[*:1])C(=O)N1CCCC1
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)N1CCCC1 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H](Sc1nnc(n1C[C@H]1CCCO1)[*:1])C(=O)N1CCCC1
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)[*:1]
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)N1CCCC1 C[C@@H](S[*:1])C(=O)N1CCCC1 c1ccc2c(c[nH]c2c1)-c1nnc(n1C[C@H]1CCCO1)[*:1]
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)N1CCCC1 C1CO[C@H](C1)C[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1[*:1])C(=O)N1CCCC1
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccco2)c1C c1coc(c1)[*:1] CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)[*:1])c1C
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccco2)c1C CCC[*:1] Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H](C)c2ccco2)c(C)n1[*:1]
CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2ccccc2C)c1 Cc1ccccc1C(=O)N[*:1] CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(c1)[*:1]
CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2ccccc2C)c1 CCS(=O)(=O)[*:1] Cc1cc2nc(cc(=O)n2o1)COc1ccc(cc1NC(=O)c1ccccc1C)[*:1]
CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2ccccc2C)c1 Cc1ccccc1[*:1] CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(c1)NC(=O)[*:1]
O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc1 O=C(NCC(F)(F)F)[*:1] O=C(Nc1nccs1)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)[*:1]
O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc1 FC(F)(F)[*:1] O=C(NC[*:1])c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccs1
O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc1 O=C(Nc1nccs1)[*:1] O=C(NCC(F)(F)F)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1[*:1]
O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] O=C(NCC(F)(F)F)c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc1 FC(F)(F)C[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccs1
CCC[C@@H](C)NC(=O)[C@@H](C)[S@@](=O)Cc1nc2ccccc2s1 CCC[*:1] C[C@H](C(=O)N[C@H](C)[*:1])[S@@](=O)Cc1nc2ccccc2s1
CCC[C@@H](C)NC(=O)[C@@H](C)[S@@](=O)Cc1nc2ccccc2s1 CCC[C@@H](C)[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1nc2ccccc2s1
CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@@H](C)c1ccncc1 CC(C)[*:1] CC[C@H]1CN(CC[C@H]1[NH2+][C@@H](C)c1ccncc1)C(=O)[*:1]
CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H]1CN(CC[C@H]1[NH2+][C@@H](C)[*:1])C(=O)C(C)C
CCCC1(CCC)CN(c2ccc(Cl)cc2N)C1 CCC[*:1] CCCC1(CN(C1)c1ccc(Cl)cc1N)[*:1]
NC(=O)CCn1ccc(NCc2c(Cl)cccc2N2CCCC2)n1 NC(=O)CC[*:1] Clc1cccc(c1CNc1ccn(n1)[*:1])N1CCCC1
NC(=O)CCn1ccc(NCc2c(Cl)cccc2N2CCCC2)n1 C1CCN(C1)[*:1] NC(=O)CCn1ccc(n1)NCc1c(Cl)cccc1[*:1]
NC(=O)CCn1ccc(NCc2c(Cl)cccc2N2CCCC2)n1 NC(=O)C[*:1] Clc1cccc(c1CNc1ccn(C[*:1])n1)N1CCCC1
NC(=O)CCn1ccc(NCc2c(Cl)cccc2N2CCCC2)n1 NC(=O)[*:1] Clc1cccc(c1CNc1ccn(CC[*:1])n1)N1CCCC1
Cc1ccc(-c2csc(NC(=O)c3ccc(-n4cccn4)c(F)c3)n2)s1 c1cnn(c1)[*:1] Cc1ccc(s1)-c1csc(n1)NC(=O)c1ccc(c(F)c1)[*:1]
Cc1ccc(-c2csc(NC(=O)c3ccc(-n4cccn4)c(F)c3)n2)s1 Cc1ccc(s1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(c(F)c1)-n1cccn1
Cc1nc(C(C)(C)NC(=O)Nc2cccc(F)c2C)sc1C Cc1nc(sc1C)[*:1] Cc1c(F)cccc1NC(=O)NC(C)(C)[*:1]
Cc1ccc(C(=O)N2CCc3cc(CNC(=O)CCc4ccccc4)ccc32)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)C(=O)N1CCc2cc(ccc21)CNC(=O)[*:1]
Cc1ccc(C(=O)N2CCc3cc(CNC(=O)CCc4ccccc4)ccc32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCc2cc(ccc21)CNC(=O)CC[*:1]
Cc1ccc(C(=O)N2CCc3cc(CNC(=O)CCc4ccccc4)ccc32)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1ccccc1)NCc1ccc2c(c1)CCN2C(=O)[*:1]
Cc1ccc(C(=O)N2CCc3cc(CNC(=O)CCc4ccccc4)ccc32)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)N1CCc2cc(ccc21)CNC(=O)C[*:1]
CC[C@H]1CN(Cc2ccc(CC(C)C)cc2)[C@@H](CC)C[NH2+]1 CC(C)C[*:1] CC[C@H]1CN(Cc2ccc(cc2)[*:1])[C@@H](CC)C[NH2+]1
CC[C@H]1CN(Cc2ccc(CC(C)C)cc2)[C@@H](CC)C[NH2+]1 CC(C)[*:1] CC[C@H]1CN(Cc2ccc(cc2)C[*:1])[C@@H](CC)C[NH2+]1
NC(=O)C1(C[NH2+]Cc2ccsc2)CCOCC1 NC(=O)[*:1] c1cc(cs1)C[NH2+]CC1(CCOCC1)[*:1]
NC(=O)C1(C[NH2+]Cc2ccsc2)CCOCC1 c1cc(cs1)[*:1] NC(=O)C1(CCOCC1)C[NH2+]C[*:1]
CC(C)(C)c1nc(CN2C[C@@H](O)Cc3ccc4ccccc4c32)no1 CC(C)(C)[*:1] O[C@H]1Cc2ccc3ccccc3c2N(Cc2noc(n2)[*:1])C1
COc1cc(C)ccc1OCc1cc(C(=O)NCc2n[nH]c3c2CCC3)no1 C1Cc2[nH]nc(c2C1)[*:1] COc1cc(C)ccc1OCc1cc(no1)C(=O)NC[*:1]
COc1cc(C)ccc1OCc1cc(C(=O)NCc2n[nH]c3c2CCC3)no1 C1Cc2[nH]nc(C[*:1])c2C1 COc1cc(C)ccc1OCc1cc(no1)C(=O)N[*:1]
COc1cc(C)ccc1OCc1cc(C(=O)NCc2n[nH]c3c2CCC3)no1 COc1cc(C)ccc1[*:1] O=C(NCc1n[nH]c2CCCc12)c1cc(CO[*:1])on1
O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cccnc1Cl Clc1ncccc1[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
O=C(Cn1nc2ccccn2c1=O)NCCn1cccc1 c1ccn(c1)[*:1] O=C(Cn1nc2ccccn2c1=O)NCC[*:1]
O=C(Cn1nc2ccccn2c1=O)NCCn1cccc1 c1ccn(c1)CC[*:1] O=C(Cn1nc2ccccn2c1=O)N[*:1]
O=C(Cn1nc2ccccn2c1=O)NCCn1cccc1 c1ccn(c1)C[*:1] O=C(Cn1nc2ccccn2c1=O)NC[*:1]
C[C@H](NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)OC(F)(F)F)[*:1]
C[C@H](NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1)c1cc2ccccc2o1 FC(F)(F)O[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)[*:1])c1cc2ccccc2o1
C[C@H](NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1)c1cc2ccccc2o1 FC(F)(F)[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)O[*:1])c1cc2ccccc2o1
COc1cc(-c2nc(C)c(C(=O)NCc3cccnc3)s2)cc(OC)c1OC c1cncc(c1)C[*:1] COc1cc(cc(OC)c1OC)-c1nc(C)c(s1)C(=O)N[*:1]
COc1cc(-c2nc(C)c(C(=O)NCc3cccnc3)s2)cc(OC)c1OC c1cncc(c1)[*:1] COc1cc(cc(OC)c1OC)-c1nc(C)c(s1)C(=O)NC[*:1]
Nc1c(NCCN2CCOCC2)ncnc1Nc1ccc(Br)cn1 C1CN(CCO1)C[*:1] Nc1c(ncnc1Nc1ccc(Br)cn1)NC[*:1]
Nc1c(NCCN2CCOCC2)ncnc1Nc1ccc(Br)cn1 Brc1ccc(nc1)N[*:1] Nc1c(ncnc1[*:1])NCCN1CCOCC1
Nc1c(NCCN2CCOCC2)ncnc1Nc1ccc(Br)cn1 C1CN(CCO1)[*:1] Nc1c(ncnc1Nc1ccc(Br)cn1)NCC[*:1]
Nc1c(NCCN2CCOCC2)ncnc1Nc1ccc(Br)cn1 C1CN(CCO1)CC[*:1] Nc1c(ncnc1N[*:1])Nc1ccc(Br)cn1
Nc1c(NCCN2CCOCC2)ncnc1Nc1ccc(Br)cn1 Brc1ccc(nc1)[*:1] Nc1c(ncnc1N[*:1])NCCN1CCOCC1
CC(C)c1cnc(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)o1 CC(C)[*:1] C[C@@H]1C[C@@H](CN1Cc1ncc(o1)[*:1])c1ccc(F)cc1
CC(C)c1cnc(CN2C[C@@H](c3ccc(F)cc3)C[C@H]2C)o1 Fc1ccc(cc1)[*:1] CC(C)c1cnc(CN2C[C@@H](C[C@H]2C)[*:1])o1
CCn1c(SCc2nnc(C)o2)nnc1-c1ccoc1C Cc1nnc(o1)[*:1] CCn1c(nnc1-c1ccoc1C)SC[*:1]
CCn1c(SCc2nnc(C)o2)nnc1-c1ccoc1C Cc1occc1[*:1] CCn1c(nnc1[*:1])SCc1nnc(C)o1
CCn1c(SCc2nnc(C)o2)nnc1-c1ccoc1C Cc1nnc(C[*:1])o1 CCn1c(nnc1-c1ccoc1C)S[*:1]
CS(=O)(=O)CCC1(c2cccc(Br)c2)C[NH2+]C1 CS(=O)(=O)[*:1] Brc1cccc(c1)C1(CC[*:1])C[NH2+]C1
CS(=O)(=O)CCC1(c2cccc(Br)c2)C[NH2+]C1 CS(=O)(=O)C[*:1] Brc1cccc(c1)C1(C[NH2+]C1)C[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1OCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1O[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1OCc1cccc(Cl)c1 CNC(=O)[*:1] C[C@@H](NC(=O)Nc1ccccc1OCc1cccc(Cl)c1)[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1OCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1OC[*:1]
COC(C)(C)C[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F COC(C)(C)C[*:1] C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccccc1F)[*:1]
COC(C)(C)C[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F Fc1ccccc1[*:1] COC(C)(C)C[C@H](C)NC(=O)N(C1CC1)[C@H](C)[*:1]
COC(C)(C)C[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F COC(C)(C)[*:1] C[C@@H](C[*:1])NC(=O)N(C1CC1)[C@H](C)c1ccccc1F
COC(C)(C)C[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F C1CC1[*:1] COC(C)(C)C[C@H](C)NC(=O)N([C@H](C)c1ccccc1F)[*:1]
CCC[C@H](C)NC(=O)c1cccc(C)c1 CCC[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)[*:1]
CCC[C@H](C)NC(=O)c1cccc(C)c1 CCC[C@H](C)[*:1] Cc1cccc(c1)C(=O)N[*:1]
Cc1c(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cnn1C(C)C C1CO[C@@H](C1)C[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1cccc(c1)O[*:1]
Cc1c(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cnn1C(C)C C1CO[C@@H](C1)[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1cccc(c1)OC[*:1]
Cc1c(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cccc(c1)OC[C@@H]1CCCO1
Cc1c(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cnn1C(C)C C1CO[C@@H](C1)CO[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1cccc(c1)[*:1]
CC[NH2+]C[C@@H](c1cccc(OC)c1)[C@@H](C)CC CC[C@H](C)[*:1] CC[NH2+]C[C@@H](c1cccc(c1)OC)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(SCc3cccnc3)cc2)C1 c1cncc(c1)CS[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(SCc3cccnc3)cc2)C1 c1cncc(c1)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1ccc(cc1)S[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(SCc3cccnc3)cc2)C1 c1cncc(c1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1ccc(cc1)SC[*:1]
CCOC[C@@H]1CCN(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)C1 CCOC[*:1] C[C@H](NC(=O)N1CC[C@H](C1)[*:1])c1nc(no1)-c1cccc(F)c1
CCOC[C@@H]1CCN(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)C1 CCO[*:1] C[C@H](NC(=O)N1CC[C@H](C1)C[*:1])c1nc(no1)-c1cccc(F)c1
CCOC[C@@H]1CCN(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)C1 Fc1cccc(c1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)N[C@@H](C)c1nc(no1)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N(C)[C@H](C)CC CC[C@@H](C)[*:1] CC[C@@H](C)N(C)C(=O)NCCC(=O)N[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N(C)[C@H](C)CC CC[C@@H](C)[*:1] CC[C@@H](C)NC(=O)CCNC(=O)N(C)[*:1]
CC(C)[NH+](C)CCC(=O)N(C)CCC(N)=S NC(=S)C[*:1] CC(C)[NH+](C)CCC(=O)N(C)C[*:1]
CC(C)[NH+](C)CCC(=O)N(C)CCC(N)=S NC(=S)[*:1] CC(C)[NH+](C)CCC(=O)N(C)CC[*:1]
CC(C)[NH+](C)CCC(=O)N(C)CCC(N)=S CC(C)[*:1] CN(CCC(N)=S)C(=O)CC[NH+](C)[*:1]
CC(C)[NH+](C)CCC(=O)N(C)CCC(N)=S NC(=S)CC[*:1] CC(C)[NH+](C)CCC(=O)N(C)[*:1]
C[C@@H](Nc1ncnc2sccc12)c1ccc(OCC(=O)NC2CC2)cc1 O=C(CO[*:1])NC1CC1 C[C@@H](Nc1ncnc2sccc12)c1ccc(cc1)[*:1]
C[C@@H](Nc1ncnc2sccc12)c1ccc(OCC(=O)NC2CC2)cc1 O=C(C[*:1])NC1CC1 C[C@@H](Nc1ncnc2sccc12)c1ccc(cc1)O[*:1]
C[C@@H](Nc1ncnc2sccc12)c1ccc(OCC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H](Nc1ncnc2sccc12)c1ccc(cc1)OCC(=O)N[*:1]
C[C@@H](Nc1ncnc2sccc12)c1ccc(OCC(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] C[C@@H](Nc1ncnc2sccc12)c1ccc(cc1)OC[*:1]
CC(C)OCc1cccc(NC(=O)C[C@@H](O)c2ccccc2)c1 CC(C)OC[*:1] O=C(C[C@@H](O)c1ccccc1)Nc1cccc(c1)[*:1]
CC(C)OCc1cccc(NC(=O)C[C@@H](O)c2ccccc2)c1 CC(C)O[*:1] O=C(C[C@@H](O)c1ccccc1)Nc1cccc(c1)C[*:1]
CC(C)OCc1cccc(NC(=O)C[C@@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)OCc1cccc(c1)NC(=O)C[C@@H](O)[*:1]
CC(C)OCc1cccc(NC(=O)C[C@@H](O)c2ccccc2)c1 CC(C)[*:1] O=C(C[C@@H](O)c1ccccc1)Nc1cccc(c1)CO[*:1]
Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc(C)nc1 Cc1ccc(cn1)[*:1] Cc1ccc2c(c1)CCCN2C(=O)C[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)CCCN1CCOC1=O O=C1OCCN1CC[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)C[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)CCCN1CCOC1=O C[S@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)CCCN1CCOC1=O
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)CCCN1CCOC1=O O=C1OCCN1C[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)CC[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)CCCN1CCOC1=O O=C1OCCN1[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)CCC[*:1]
CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 CC(C)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)N2CCNC(=O)[C@@H]2[*:1])c1=O
CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)NC(=O)c3ccc(F)cc32)cc1 CC(=O)N[*:1] C[C@@H]1CN(C(=O)c2ccc(cc2)[*:1])c2cc(F)ccc2C(=O)N1
CC(C)C[C@H](C(=O)NNc1cccnn1)N1CCCCC1=O CC(C)[*:1] O=C(NNc1cccnn1)[C@@H](C[*:1])N1CCCCC1=O
CC(C)C[C@H](C(=O)NNc1cccnn1)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@H](C(=O)NNc1cccnn1)[*:1]
CC(C)C[C@H](C(=O)NNc1cccnn1)N1CCCCC1=O CC(C)C[*:1] O=C(NNc1cccnn1)[C@H](N1CCCCC1=O)[*:1]
CC(C)C[C@H](C(=O)NNc1cccnn1)N1CCCCC1=O c1cnnc(c1)[*:1] CC(C)C[C@H](C(=O)NN[*:1])N1CCCCC1=O
COc1ccc(S(=O)(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc1F COc1ccc(cc1F)[*:1] O=S(=O)(NCC#CCOc1cccc(c1)C(F)(F)F)[*:1]
COc1ccc(S(=O)(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc1F FC(F)(F)[*:1] COc1ccc(cc1F)S(=O)(=O)NCC#CCOc1cccc(c1)[*:1]
C[C@H]1CC[C@H](C)N(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 C[C@]1(NC(=O)NC1=O)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)NCc1ccc(cc1)[*:1]
[O-][N+]1=C(CN2CCOCC2)C(CN2CCOCC2)=[N+]([O-])[C@H]2CCCC[C@@H]21 C1CN(CCO1)[*:1] [O-][N+]1=C(CN2CCOCC2)C(C[*:1])=[N+]([O-])[C@H]2CCCC[C@@H]21
[O-][N+]1=C(CN2CCOCC2)C(CN2CCOCC2)=[N+]([O-])[C@H]2CCCC[C@@H]21 C1CN(CCO1)C[*:1] [O-][N+]1=C(CN2CCOCC2)C(=[N+]([O-])[C@H]2CCCC[C@@H]21)[*:1]
Cc1noc(-c2ccc(C(=O)NC[C@H]3CCOC3)cc2)n1 Cc1noc(n1)[*:1] O=C(NC[C@H]1CCOC1)c1ccc(cc1)[*:1]
Cc1noc(-c2ccc(C(=O)NC[C@H]3CCOC3)cc2)n1 C1C[C@@H](CO1)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NC[*:1]
Cc1noc(-c2ccc(C(=O)NC[C@H]3CCOC3)cc2)n1 C1C[C@@H](CO1)C[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)N[*:1]
O=C(NCCn1cccc1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 c1ccn(c1)C[*:1] O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)NC[*:1]
O=C(NCCn1cccc1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 c1ccn(c1)CC[*:1] O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)N[*:1]
O=C(NCCn1cccc1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(NCCn1cccc1)NC[C@@H]([C@@H]1CCOC1)[*:1]
O=C(NCCn1cccc1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 c1ccn(c1)[*:1] O=C(NCC[*:1])NC[C@@H]([C@@H]1CCOC1)N1CCOCC1
O=C(NCCn1cccc1)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 C1C[C@H](CO1)[*:1] O=C(NCCn1cccc1)NC[C@@H](N1CCOCC1)[*:1]
CC(C)CCN1C[C@@H](C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O CC(C)C[*:1] CC(C)(C)c1nnc(NC(=O)[C@H]2CC(=O)N(C2)C[*:1])s1
CC(C)CCN1C[C@@H](C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O CC(C)CC[*:1] CC(C)(C)c1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
CC(C)CCN1C[C@@H](C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O CC(C)(C)[*:1] CC(C)CCN1C[C@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
CC(C)CCN1C[C@@H](C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O CC(C)[*:1] CC(C)(C)c1nnc(NC(=O)[C@H]2CC(=O)N(CC[*:1])C2)s1
CC(C)CCC[C@H](C)[NH2+]C[C@H]1CN2CCCC[C@@H]2CO1 CC(C)CCC[*:1] C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
CC(C)CCC[C@H](C)[NH2+]C[C@H]1CN2CCCC[C@@H]2CO1 CC(C)CC[*:1] C[C@@H](C[*:1])[NH2+]C[C@H]1CN2CCCC[C@@H]2CO1
CC(C)CCC[C@H](C)[NH2+]C[C@H]1CN2CCCC[C@@H]2CO1 CC(C)[*:1] C[C@@H](CCC[*:1])[NH2+]C[C@H]1CN2CCCC[C@@H]2CO1
CC(C)CCC[C@H](C)[NH2+]C[C@H]1CN2CCCC[C@@H]2CO1 CC(C)C[*:1] C[C@@H](CC[*:1])[NH2+]C[C@H]1CN2CCCC[C@@H]2CO1
CCCCN1C[C@@H](C(=O)Nc2nc(C)cs2)CC1=O CCCC[*:1] Cc1csc(n1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCCCN1C[C@@H](C(=O)Nc2nc(C)cs2)CC1=O CCC[*:1] Cc1csc(n1)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
CCCCN1C[C@@H](C(=O)Nc2nc(C)cs2)CC1=O Cc1csc(n1)[*:1] CCCCN1C[C@H](CC1=O)C(=O)N[*:1]
C[C@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C CC(C)(C)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
CCNC(=O)COc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 CCNC(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1cc2ccccc2[nH]1
CCNC(=O)COc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 CCNC(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cc2ccccc2[nH]1
CCNC(=O)COc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 CCNC(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2ccccc2[nH]1
CCOc1ccc(CC(=O)N(CC)c2ccccc2)cc1 CCO[*:1] CCN(C(=O)Cc1ccc(cc1)[*:1])c1ccccc1
CCOc1ccc(CC(=O)N(CC)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)CC(=O)N(CC)[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc(C)cn2)C1 CCCCNC(=O)[*:1] Cc1cnc(cn1)C(=O)N1CCC[C@H](C1)[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc(C)cn2)C1 CCC[*:1] Cc1cnc(cn1)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc(C)cn2)C1 Cc1cnc(cn1)[*:1] CCCCNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc(C)cn2)C1 CCCC[*:1] Cc1cnc(cn1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1cc(OC)c(N2C[C@@H](C(=O)N(C)Cc3nc4ccccc4s3)CC2=O)cc1Cl c1ccc2sc(C[*:1])nc2c1 COc1cc(OC)c(cc1Cl)N1C[C@H](CC1=O)C(=O)N(C)[*:1]
COc1cc(OC)c(N2C[C@@H](C(=O)N(C)Cc3nc4ccccc4s3)CC2=O)cc1Cl c1ccc2sc(nc2c1)[*:1] COc1cc(OC)c(cc1Cl)N1C[C@H](CC1=O)C(=O)N(C)C[*:1]
COCCn1ccc2c(OCC(=O)Nc3c(C)cc(C)cc3C)cccc2c1=O COC[*:1] Cc1cc(C)c(NC(=O)COc2cccc3c(=O)n(ccc23)C[*:1])c(C)c1
COCCn1ccc2c(OCC(=O)Nc3c(C)cc(C)cc3C)cccc2c1=O Cc1cc(C)c(c(C)c1)[*:1] COCCn1ccc2c(cccc2c1=O)OCC(=O)N[*:1]
COCCn1ccc2c(OCC(=O)Nc3c(C)cc(C)cc3C)cccc2c1=O COCC[*:1] Cc1cc(C)c(NC(=O)COc2cccc3c(=O)n(ccc23)[*:1])c(C)c1
CCOCCOC(=O)Nc1c(C)cccc1C CCOCC[*:1] Cc1cccc(C)c1NC(=O)O[*:1]
CCOCCOC(=O)Nc1c(C)cccc1C CCOC[*:1] Cc1cccc(C)c1NC(=O)OC[*:1]
CCOCCOC(=O)Nc1c(C)cccc1C CCO[*:1] Cc1cccc(C)c1NC(=O)OCC[*:1]
CCn1c(SCC(=O)N[C@H](C)C(=O)N2CCCCC2)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])SCC(=O)N[C@H](C)C(=O)N1CCCCC1
CCn1c(SCC(=O)N[C@H](C)C(=O)N2CCCCC2)nnc1C1CC1 O=C(N1CCCCC1)[*:1] CCn1c(nnc1C1CC1)SCC(=O)N[C@H](C)[*:1]
C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccnc(Cl)c1 Cn1cc(cn1)[*:1] C[C@H](N[C@@H](CO)[*:1])c1ccnc(Cl)c1
CCCCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1 CCC[*:1] Cc1c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(cc1)C[*:1]
CCCCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1 C1CN(CCO1)C[*:1] CCCCc1ccc(cc1)-n1c(C)c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CCCCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1 CCCCc1ccc(cc1)[*:1] Cc1c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1[*:1]
CCCCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1 C1CN(CCO1)[*:1] CCCCc1ccc(cc1)-n1c(C)c(C)n2c3c(=O)n(CC[*:1])c(=O)n(C)c3nc12
CCCCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1 CCCC[*:1] Cc1c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(cc1)[*:1]
CCCCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1 C1CN(CCO1)CC[*:1] CCCCc1ccc(cc1)-n1c(C)c(C)n2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
Cc1c(Cl)cccc1NC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O c1csc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)CN1C(=O)SC(=C[*:1])C1=O
Cc1c(Cl)cccc1NC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O Cc1c(Cl)cccc1[*:1] O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N[*:1]
Cc1ccc([C@@H]2CN(Cc3csc(C)n3)CCO2)c(C)c1 Cc1nc(cs1)C[*:1] Cc1ccc(c(C)c1)[C@@H]1CN(CCO1)[*:1]
Cc1ccc([C@@H]2CN(Cc3csc(C)n3)CCO2)c(C)c1 Cc1nc(cs1)[*:1] Cc1ccc(c(C)c1)[C@@H]1CN(CCO1)C[*:1]
C[NH2+][C@@H](Cc1cc(C)ccc1[N+](=O)[O-])C(C)C O=[N+]([O-])[*:1] C[NH2+][C@@H](Cc1cc(C)ccc1[*:1])C(C)C
C[NH2+][C@@H](Cc1cc(C)ccc1[N+](=O)[O-])C(C)C CC(C)[*:1] C[NH2+][C@@H](Cc1cc(C)ccc1[N+](=O)[O-])[*:1]
[NH3+][C@H]1C=C[C@@H](C(=O)N2CCC(CC(=O)[O-])CC2)C1 O=C([O-])C[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)N1CCC(CC1)[*:1]
[NH3+][C@H]1C=C[C@@H](C(=O)N2CCC(CC(=O)[O-])CC2)C1 O=C([O-])[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)N1CCC(CC1)C[*:1]
COc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)O4)CC2)c1 COc1cccc(c1)[*:1] C[C@H]1Cc2cc(ccc2O1)[C@H](O)CN1CCN(CC1)[*:1]
Cc1c([C@H](C)NC(=O)Nc2ccccc2SCCC(N)=O)oc2ccccc12 NC(=O)[*:1] Cc1c(oc2ccccc12)[C@H](C)NC(=O)Nc1ccccc1SCC[*:1]
Cc1c([C@H](C)NC(=O)Nc2ccccc2SCCC(N)=O)oc2ccccc12 NC(=O)CC[*:1] Cc1c(oc2ccccc12)[C@H](C)NC(=O)Nc1ccccc1S[*:1]
Cc1c([C@H](C)NC(=O)Nc2ccccc2SCCC(N)=O)oc2ccccc12 NC(=O)C[*:1] Cc1c(oc2ccccc12)[C@H](C)NC(=O)Nc1ccccc1SC[*:1]
Cc1c([C@H](C)NC(=O)Nc2ccccc2SCCC(N)=O)oc2ccccc12 NC(=O)CCS[*:1] Cc1c(oc2ccccc12)[C@H](C)NC(=O)Nc1ccccc1[*:1]
CCC1(CNC(=O)NCc2nc3ccccc3s2)CCC1 CCC1(CCC1)[*:1] O=C(NCc1nc2ccccc2s1)NC[*:1]
CCC1(CNC(=O)NCc2nc3ccccc3s2)CCC1 CCC1(CCC1)C[*:1] O=C(NCc1nc2ccccc2s1)N[*:1]
Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1csnn1 c1snnc1[*:1] Cc1nn(cc1CCCNC(=O)[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1csnn1 c1ccc(cc1)[*:1] Cc1nn(cc1CCCNC(=O)c1csnn1)[*:1]
C[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
C[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccncc1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)c1cnc(s1)[*:1])c1ccncc1
Fc1cccc(OC(F)F)c1CNC1=[NH+]CCCN1 FC(F)O[*:1] Fc1cccc(c1CNC1NCCC[NH+]=1)[*:1]
Fc1cccc(OC(F)F)c1CNC1=[NH+]CCCN1 FC(F)[*:1] Fc1cccc(O[*:1])c1CNC1NCCC[NH+]=1
Cc1nc(CN2C[C@H](OCc3ccncc3)CN(C(=O)c3cc4ccccc4o3)CC2=O)cs1 c1cc(ccn1)CO[*:1] Cc1nc(cs1)CN1C[C@H](CN(CC1=O)C(=O)c1cc2ccccc2o1)[*:1]
Cc1nc(CN2C[C@H](OCc3ccncc3)CN(C(=O)c3cc4ccccc4o3)CC2=O)cs1 c1ccc2oc(cc2c1)[*:1] Cc1nc(cs1)CN1C[C@@H](CN(CC1=O)C(=O)[*:1])OCc1ccncc1
Cc1nc(CN2C[C@H](OCc3ccncc3)CN(C(=O)c3cc4ccccc4o3)CC2=O)cs1 Cc1nc(cs1)C[*:1] O=C(c1cc2ccccc2o1)N1CC(=O)N(C[C@@H](C1)OCc1ccncc1)[*:1]
Cc1nc(CN2C[C@H](OCc3ccncc3)CN(C(=O)c3cc4ccccc4o3)CC2=O)cs1 c1cc(ccn1)C[*:1] Cc1nc(cs1)CN1C[C@@H](CN(CC1=O)C(=O)c1cc2ccccc2o1)O[*:1]
Cc1nc(CN2C[C@H](OCc3ccncc3)CN(C(=O)c3cc4ccccc4o3)CC2=O)cs1 Cc1nc(cs1)[*:1] O=C1CN(C[C@H](CN1C[*:1])OCc1ccncc1)C(=O)c1cc2ccccc2o1
Cc1nc(CN2C[C@H](OCc3ccncc3)CN(C(=O)c3cc4ccccc4o3)CC2=O)cs1 c1cc(ccn1)[*:1] Cc1nc(cs1)CN1C[C@@H](CN(CC1=O)C(=O)c1cc2ccccc2o1)OC[*:1]
O=S1(=O)CC[C@@H]([C@H](O)c2ccc(C3CC3)cc2)C1 C1CC1[*:1] O=S1(=O)CC[C@H](C1)[C@H](O)c1ccc(cc1)[*:1]
Cc1cc(C[NH+]2CCC(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)c(C)o1 O=S(=O)(N1CCCCC1)[*:1] Cc1cc(C[NH+]2CCC(CC2)CNC(=O)c2ccc(cc2)[*:1])c(C)o1
Cc1cc(C[NH+]2CCC(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
CC(C)CC[NH2+]C[C@@H](C)Sc1cccc(F)c1 CC(C)[*:1] C[C@H](C[NH2+]CC[*:1])Sc1cccc(F)c1
CC(C)CC[NH2+]C[C@@H](C)Sc1cccc(F)c1 CC(C)C[*:1] C[C@H](C[NH2+]C[*:1])Sc1cccc(F)c1
CC(C)CC[NH2+]C[C@@H](C)Sc1cccc(F)c1 CC(C)CC[*:1] C[C@H](C[NH2+][*:1])Sc1cccc(F)c1
CC(=O)N1CCC(C(=O)Nc2ccc(F)c(-n3cccc3)c2)CC1 c1ccn(c1)[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1ccc(F)c(c1)[*:1]
C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCCCC1 c1ccc(cc1)C[*:1] C[C@H]([NH2+][C@@H]1CCN(C1)[*:1])C(=O)N1CCCCC1
C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCCCC1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H]1CCN(C1)C[*:1])C(=O)N1CCCCC1
CCCc1nccn1Cc1cccc(Cl)c1 CCC[*:1] Clc1cccc(c1)Cn1ccnc1[*:1]
O=C(NCCc1c(F)cccc1F)Nc1nccs1 c1csc(n1)[*:1] O=C(NCCc1c(F)cccc1F)N[*:1]
Cc1cc(C)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(NC(=O)CSc2ccc(cc2)[*:1])c(C)c1
C[C@@H](NC(=O)c1nn(CCO)c2c1CN(Cc1nccs1)CC2)c1ccccc1 c1csc(n1)[*:1] C[C@@H](NC(=O)c1nn(CCO)c2CCN(Cc12)C[*:1])c1ccccc1
C[C@@H](NC(=O)c1nn(CCO)c2c1CN(Cc1nccs1)CC2)c1ccccc1 OCC[*:1] C[C@@H](NC(=O)c1nn(c2CCN(Cc3nccs3)Cc12)[*:1])c1ccccc1
C[C@@H](NC(=O)c1nn(CCO)c2c1CN(Cc1nccs1)CC2)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1nn(CCO)c2CCN(Cc3nccs3)Cc12)[*:1]
C[C@@H](NC(=O)c1nn(CCO)c2c1CN(Cc1nccs1)CC2)c1ccccc1 c1csc(C[*:1])n1 C[C@@H](NC(=O)c1nn(CCO)c2CCN(Cc12)[*:1])c1ccccc1
C[C@@H](NC(=O)c1nn(CCO)c2c1CN(Cc1nccs1)CC2)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(N[*:1])c1nn(CCO)c2CCN(Cc3nccs3)Cc12
N#CCCCCN1CCc2ccc([N+](=O)[O-])cc2C1 N#CCC[*:1] O=[N+]([O-])c1ccc2CCN(CC[*:1])Cc2c1
N#CCCCCN1CCc2ccc([N+](=O)[O-])cc2C1 N#CCCC[*:1] O=[N+]([O-])c1ccc2CCN(Cc2c1)C[*:1]
N#CCCCCN1CCc2ccc([N+](=O)[O-])cc2C1 N#CC[*:1] O=[N+]([O-])c1ccc2CCN(CCC[*:1])Cc2c1
N#CCCCCN1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] N#CCCCCN1CCc2ccc(cc2C1)[*:1]
N#CCCCCN1CCc2ccc([N+](=O)[O-])cc2C1 N#CCCCC[*:1] O=[N+]([O-])c1ccc2CCN(Cc2c1)[*:1]
Fc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(C(F)(F)F)cc4)C3)CC2)cc1 Fc1ccc(cc1)[*:1] FC(F)(F)c1ccc(cc1)CN1CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
Fc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(C(F)(F)F)cc4)C3)CC2)cc1 FC(F)(F)[*:1] Fc1ccc(cc1)N1CC[NH+](CC1)[C@@H]1CCCN(Cc2ccc(cc2)[*:1])C1
Fc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(C(F)(F)F)cc4)C3)CC2)cc1 FC(F)(F)c1ccc(cc1)[*:1] Fc1ccc(cc1)N1CC[NH+](CC1)[C@@H]1CCCN(C1)C[*:1]
Cc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C(N)=O)c(C)c1C O=S(=O)(N1CCCC1)[*:1] Cc1nc(SCC(=O)Nc2ccc(cc2)[*:1])c(C(N)=O)c(C)c1C
Cc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C(N)=O)c(C)c1C NC(=O)[*:1] Cc1nc(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c(c(C)c1C)[*:1]
CCO[C@H]1C[C@@H](N(C)C(=O)N[C@@H](C)Cn2cc[nH+]c2)C12CCCC2 CCO[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H]1C[C@@H](C12CCCC2)[*:1]
CNC(=O)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 Cc1ccc(nn1)[*:1] CNC(=O)C(=O)Nc1ccc(cc1)O[*:1]
CNC(=O)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 CNC(=O)C(=O)N[*:1] Cc1ccc(nn1)Oc1ccc(cc1)[*:1]
CCN(C(=O)C1(C)CCCC1)[C@@H]1COC[C@H]1C(=O)[O-] CC1(CCCC1)[*:1] CCN(C(=O)[*:1])[C@@H]1COC[C@H]1C(=O)[O-]
CCN(C(=O)C1(C)CCCC1)[C@@H]1COC[C@H]1C(=O)[O-] O=C([O-])[*:1] CCN(C(=O)C1(C)CCCC1)[C@@H]1COC[C@@H]1[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](Cl)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)[C@H](Cl)[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](Cl)c1ccccc1 Cl[C@H](c1ccccc1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)[*:1]
C[C@]1(C(=O)NC[C@@H]2CCCO2)Cn2c(cc3ccccc32)C(=O)N1CCc1ccccc1 C1CO[C@@H](C1)[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1CCc1ccccc1)C(=O)NC[*:1]
C[C@]1(C(=O)NC[C@@H]2CCCO2)Cn2c(cc3ccccc32)C(=O)N1CCc1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1CC[*:1])C(=O)NC[C@@H]1CCCO1
C[C@]1(C(=O)NC[C@@H]2CCCO2)Cn2c(cc3ccccc32)C(=O)N1CCc1ccccc1 c1ccc(cc1)CC[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1[*:1])C(=O)NC[C@@H]1CCCO1
C[C@]1(C(=O)NC[C@@H]2CCCO2)Cn2c(cc3ccccc32)C(=O)N1CCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1C[*:1])C(=O)NC[C@@H]1CCCO1
C[C@@H]1CCCCC[C@H]1Nc1ccc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] C[C@@H]1CCCCC[C@H]1Nc1ccc(c(N)n1)[*:1]
Cc1nn(CCCNC(=O)Nc2ccccc2C(F)(F)F)c(C)c1Br FC(F)(F)[*:1] Cc1nn(CCCNC(=O)Nc2ccccc2[*:1])c(C)c1Br
Cc1nn(CCCNC(=O)Nc2ccccc2C(F)(F)F)c(C)c1Br Cc1nn(c(C)c1Br)[*:1] O=C(NCCC[*:1])Nc1ccccc1C(F)(F)F
Cc1cccc([C@H](O)CN[C@@H](c2cccs2)C2CC2)c1 c1csc(c1)[*:1] Cc1cccc(c1)[C@H](O)CN[C@@H](C1CC1)[*:1]
Cc1cccc([C@H](O)CN[C@@H](c2cccs2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)[C@H](O)CN[C@@H](c1cccs1)[*:1]
C[C@H](C#N)NC(=O)C=C1CCSCC1 C[C@H](C#N)[*:1] O=C(C=C1CCSCC1)N[*:1]
COc1cccc(N2C[C@H](C(=O)N3CCC(c4nnc(-c5ccco5)o4)CC3)CC2=O)c1 COc1cccc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC(CC1)c1nnc(o1)-c1ccco1
COc1cccc(N2C[C@H](C(=O)N3CCC(c4nnc(-c5ccco5)o4)CC3)CC2=O)c1 c1coc(c1)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)c1nnc(o1)[*:1]
COc1cccc(N2C[C@H](C(=O)N3CCC(c4nnc(-c5ccco5)o4)CC3)CC2=O)c1 c1coc(c1)-c1nnc(o1)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)CN(C)CC#N)cc1 N#CC[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)CN(C)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)CN(C)CC#N)cc1 CN(CC#N)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)C[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)CN(C)CC#N)cc1 CN(CC#N)C[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)CN(C)CC#N)cc1 CCN(CC)C(=O)[*:1] CN(CC#N)CC(=O)Nc1ccc(cc1)[*:1]
Cc1cnn([C@@H](C)[C@H](C)[NH2+]CCCS(N)(=O)=O)c1 NS(=O)(=O)[*:1] Cc1cnn(c1)[C@@H](C)[C@H](C)[NH2+]CCC[*:1]
Cc1cnn([C@@H](C)[C@H](C)[NH2+]CCCS(N)(=O)=O)c1 NS(=O)(=O)C[*:1] Cc1cnn(c1)[C@@H](C)[C@H](C)[NH2+]CC[*:1]
Cc1cnn([C@@H](C)[C@H](C)[NH2+]CCCS(N)(=O)=O)c1 Cc1cnn(c1)[*:1] C[C@H]([NH2+]CCCS(N)(=O)=O)[C@H](C)[*:1]
Cc1cnn([C@@H](C)[C@H](C)[NH2+]CCCS(N)(=O)=O)c1 NS(=O)(=O)CC[*:1] Cc1cnn(c1)[C@@H](C)[C@H](C)[NH2+]C[*:1]
CCN(CC(C)(C)O)C(=O)Nc1ccc(C)c(C(=O)OC)c1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)Nc1ccc(C)c(c1)C(=O)OC
CCN(CC(C)(C)O)C(=O)Nc1ccc(C)c(C(=O)OC)c1 COC(=O)[*:1] CCN(CC(C)(C)O)C(=O)Nc1ccc(C)c(c1)[*:1]
CCN(CC(C)(C)O)C(=O)Nc1ccc(C)c(C(=O)OC)c1 CC(C)(O)C[*:1] CCN(C(=O)Nc1ccc(C)c(c1)C(=O)OC)[*:1]
CC(C)OCC[NH+]1CCN([C@H](C)c2ncc(-c3ccccc3)o2)CC1 CC(C)O[*:1] C[C@H](c1ncc(o1)-c1ccccc1)N1CC[NH+](CC1)CC[*:1]
CC(C)OCC[NH+]1CCN([C@H](C)c2ncc(-c3ccccc3)o2)CC1 CC(C)OC[*:1] C[C@H](c1ncc(o1)-c1ccccc1)N1CC[NH+](CC1)C[*:1]
CC(C)OCC[NH+]1CCN([C@H](C)c2ncc(-c3ccccc3)o2)CC1 c1ccc(cc1)[*:1] CC(C)OCC[NH+]1CCN(CC1)[C@H](C)c1ncc(o1)[*:1]
CC(C)OCC[NH+]1CCN([C@H](C)c2ncc(-c3ccccc3)o2)CC1 CC(C)OCC[*:1] C[C@H](c1ncc(o1)-c1ccccc1)N1CC[NH+](CC1)[*:1]
CC(C)OCC[NH+]1CCN([C@H](C)c2ncc(-c3ccccc3)o2)CC1 CC(C)[*:1] C[C@H](c1ncc(o1)-c1ccccc1)N1CC[NH+](CCO[*:1])CC1
C[C@@]([NH2+]Cc1ccccc1Br)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@]([NH2+]Cc1ccccc1Br)(C(=O)[O-])[*:1]
C[C@@]([NH2+]Cc1ccccc1Br)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@]([NH2+]Cc1ccccc1Br)(C(F)(F)F)[*:1]
Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[N+](=O)[O-])[*:1])C(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[*:1])[N+](=O)[O-])C(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
CC(C)c1cc(O)n(-c2nc3ccccc3o2)n1 CC(C)[*:1] Oc1cc(nn1-c1nc2ccccc2o1)[*:1]
O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc2c(c1)OCCO2 c1cncc(c1)[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc2OCCOc2c1
CC(C)NC(=O)c1ccccc1NC(=O)C[NH+](C)C1CCC(CO)CC1 CC(C)NC(=O)[*:1] C[NH+](CC(=O)Nc1ccccc1[*:1])C1CCC(CO)CC1
CC(C)NC(=O)c1ccccc1NC(=O)C[NH+](C)C1CCC(CO)CC1 CC(C)[*:1] C[NH+](CC(=O)Nc1ccccc1C(=O)N[*:1])C1CCC(CO)CC1
CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] CCc1nnc(s1)N1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)s1 CCc1nnc(s1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1[*:1]
O=C(c1ccc(-n2cccc2)cc1)N1CCC(Oc2nc3ccccc3s2)CC1 c1ccn(c1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)Oc1nc2ccccc2s1
O=C(c1ccc(-n2cccc2)cc1)N1CCC(Oc2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(c1ccc(cc1)-n1cccc1)N1CCC(CC1)O[*:1]
O=C(Nc1ccc2nc[nH]c(=O)c2c1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(Nc1ccc2nc[nH]c(=O)c2c1)[C@H]1CCCN1C(=O)[*:1]
CCc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCC(C)CC4)c(F)cc3c2=O)cc1 CC1CCN(CC1)[*:1] CCc1ccc(cc1)S(=O)(=O)c1cn(C)c2cc(c(F)cc2c1=O)[*:1]
CCc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCC(C)CC4)c(F)cc3c2=O)cc1 CCc1ccc(cc1)[*:1] CC1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C)S(=O)(=O)[*:1]
C#CCN(CC#C)C(=O)c1cccc(-c2csc(C)n2)c1 C#CC[*:1] C#CCN(C(=O)c1cccc(c1)-c1csc(C)n1)[*:1]
C#CCN(CC#C)C(=O)c1cccc(-c2csc(C)n2)c1 Cc1nc(cs1)[*:1] C#CCN(CC#C)C(=O)c1cccc(c1)[*:1]
Cc1ccc(OCC(=O)NCc2sc3nc(-c4cccs4)cn3c2C)cc1C Cc1ccc(cc1C)O[*:1] Cc1c(CNC(=O)C[*:1])sc2nc(cn12)-c1cccs1
Cc1ccc(OCC(=O)NCc2sc3nc(-c4cccs4)cn3c2C)cc1C Cc1ccc(cc1C)[*:1] Cc1c(CNC(=O)CO[*:1])sc2nc(cn12)-c1cccs1
Cc1ccc(OCC(=O)NCc2sc3nc(-c4cccs4)cn3c2C)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)OCC(=O)NCc1sc2nc(cn2c1C)[*:1]
O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1 FC(F)(F)[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)C(=O)c1sccc1-c1ccccc1
O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C(c1sccc1-c1ccccc1)N1CCN(CC1)C(=O)[*:1]
O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCN(CC1)C(=O)c1sccc1[*:1]
CCO[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC)CC2)C12CCC2 CCO[*:1] CC[NH+]1CCN(CC1)C(=O)N[C@H]1C[C@H](C12CCC2)[*:1]
CNC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1N CNC(=O)C[*:1] Nc1c(cccc1C(F)(F)F)C(=O)NC[*:1]
CNC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1N CNC(=O)CC[*:1] Nc1c(cccc1C(F)(F)F)C(=O)N[*:1]
CNC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1N CNC(=O)[*:1] Nc1c(cccc1C(F)(F)F)C(=O)NCC[*:1]
CNC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1N FC(F)(F)[*:1] CNC(=O)CCNC(=O)c1cccc(c1N)[*:1]
CC[C@H](c1ccccc1)[S@@](=O)Cc1nc(-c2cccs2)no1 c1ccc(cc1)[*:1] CC[C@H]([S@@](=O)Cc1nc(no1)-c1cccs1)[*:1]
CC[C@H](c1ccccc1)[S@@](=O)Cc1nc(-c2cccs2)no1 c1csc(c1)[*:1] CC[C@H](c1ccccc1)[S@@](=O)Cc1nc(no1)[*:1]
Cn1c(=O)n(C)c2cc(NC(=O)Nc3ccccc3)ccc21 c1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)NC(=O)N[*:1]
CO[C@@H](CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)NC[C@H]1CCN(C1)[*:1])c1ccccc1
CO[C@@H](CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)NC[C@H]1CCN(C1)c1ccccc1)[*:1]
CN(c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1F)C1CCCCC1 C1CCC(CC1)[*:1] CN(c1ccc(cc1F)NC(=O)c1cccc(c1)NC(=O)[C@@H]1CCCO1)[*:1]
CN(c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1F)C1CCCCC1 CN(C1CCCCC1)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])c1cccc(c1)NC(=O)[C@@H]1CCCO1
Cc1ccn(CC(=O)N[C@@H](C)c2nc3ccccc3o2)n1 Cc1ccn(C[*:1])n1 C[C@H](NC(=O)[*:1])c1nc2ccccc2o1
Cc1ccn(CC(=O)N[C@@H](C)c2nc3ccccc3o2)n1 Cc1ccn(n1)[*:1] C[C@H](NC(=O)C[*:1])c1nc2ccccc2o1
Cc1nc(NC(=O)[C@](C)(N)C(F)(F)F)ccc1Br FC(F)(F)[*:1] Cc1nc(ccc1Br)NC(=O)[C@](C)(N)[*:1]
Cc1cccc(C2(CNC(=O)NCCC(N)=O)CCCCC2)c1 Cc1cccc(c1)[*:1] NC(=O)CCNC(=O)NCC1(CCCCC1)[*:1]
Cc1cccc(C2(CNC(=O)NCCC(N)=O)CCCCC2)c1 NC(=O)[*:1] Cc1cccc(c1)C1(CCCCC1)CNC(=O)NCC[*:1]
Cc1cccc(C2(CNC(=O)NCCC(N)=O)CCCCC2)c1 NC(=O)C[*:1] Cc1cccc(c1)C1(CCCCC1)CNC(=O)NC[*:1]
Cc1cccc(C2(CNC(=O)NCCC(N)=O)CCCCC2)c1 NC(=O)CC[*:1] Cc1cccc(c1)C1(CCCCC1)CNC(=O)N[*:1]
Cc1ncn(C[C@H](C)[NH2+][C@H](CO)c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1ncn(C[C@H](C)[NH2+][C@H](CO)[*:1])c1C
NNC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-] NNC(=O)[*:1] O=C([O-])c1c(cccc1[*:1])[N+](=O)[O-]
NNC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-] O=C([O-])[*:1] NNC(=O)c1cccc(c1[*:1])[N+](=O)[O-]
NNC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-] O=[N+]([O-])[*:1] NNC(=O)c1cccc(c1C(=O)[O-])[*:1]
C[C@@H](Nc1ncnc2cccc(F)c12)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](Nc1ncnc2cccc(F)c12)[*:1]
CN(C)c1cccc(Oc2cncc(C[NH2+]C3CC3)n2)c1 CN(C)[*:1] c1cc(cc(c1)[*:1])Oc1cncc(C[NH2+]C2CC2)n1
CN(C)c1cccc(Oc2cncc(C[NH2+]C3CC3)n2)c1 C1CC1[*:1] CN(C)c1cccc(c1)Oc1cncc(C[NH2+][*:1])n1
CNC(=O)[C@H]1Cc2ccccc2CN1CCC#N CNC(=O)[*:1] N#CCCN1Cc2ccccc2C[C@@H]1[*:1]
CNC(=O)[C@H]1Cc2ccccc2CN1CCC#N N#CCC[*:1] CNC(=O)[C@H]1Cc2ccccc2CN1[*:1]
CNC(=O)[C@H]1Cc2ccccc2CN1CCC#N N#CC[*:1] CNC(=O)[C@H]1Cc2ccccc2CN1C[*:1]
CC(=O)c1cn(CC/C([O-])=N/c2nc(CC(C)C)n[nH]2)c2ccccc12 CC(C)[*:1] CC(=O)c1cn(CC/C([O-])=N/c2nc(C[*:1])n[nH]2)c2ccccc12
CC(=O)c1cn(CC/C([O-])=N/c2nc(CC(C)C)n[nH]2)c2ccccc12 CC(=O)[*:1] CC(C)Cc1n[nH]c(/N=C(\[O-])CCn2cc(c3ccccc32)[*:1])n1
CC(=O)c1cn(CC/C([O-])=N/c2nc(CC(C)C)n[nH]2)c2ccccc12 CC(C)C[*:1] CC(=O)c1cn(CC/C([O-])=N/c2nc(n[nH]2)[*:1])c2ccccc12
Cc1cccc([C@@H](CNC(=O)c2cccc3[nH]ccc23)N2CCOCC2)c1 c1cc(c2cc[nH]c2c1)[*:1] Cc1cccc(c1)[C@@H](CNC(=O)[*:1])N1CCOCC1
Cc1cccc([C@@H](CNC(=O)c2cccc3[nH]ccc23)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H](CNC(=O)c1cccc2[nH]ccc12)[*:1]
Cc1cccc([C@@H](CNC(=O)c2cccc3[nH]ccc23)N2CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1cccc2[nH]ccc12
CCOC(=O)N1CCC([NH+]2CCC(n3nccc3NC(=O)CC(C)C)CC2)CC1 CC(C)CC(=O)N[*:1] CCOC(=O)N1CCC(CC1)[NH+]1CCC(CC1)n1nccc1[*:1]
CCOC(=O)N1CCC([NH+]2CCC(n3nccc3NC(=O)CC(C)C)CC2)CC1 CC(C)[*:1] CCOC(=O)N1CCC(CC1)[NH+]1CCC(CC1)n1nccc1NC(=O)C[*:1]
CCOC(=O)N1CCC([NH+]2CCC(n3nccc3NC(=O)CC(C)C)CC2)CC1 CC(C)C[*:1] CCOC(=O)N1CCC(CC1)[NH+]1CCC(CC1)n1nccc1NC(=O)[*:1]
COc1ccc2nc(C)cc(SCC(=O)Nc3cc(Cl)ccc3C)c2c1 Cc1ccc(Cl)cc1[*:1] COc1ccc2nc(C)cc(SCC(=O)N[*:1])c2c1
CC(C)[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 CC(C)[*:1] O=C(NC[C@H](c1ccccc1)[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
CC(C)[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](CNC(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1)[*:1]
CCC[C@@](C)(Nc1cc(C)cc(C)c1)C(=O)[O-] O=C([O-])[*:1] CCC[C@@](C)(Nc1cc(C)cc(C)c1)[*:1]
CCC[C@@](C)(Nc1cc(C)cc(C)c1)C(=O)[O-] CCC[*:1] Cc1cc(C)cc(c1)N[C@](C)(C(=O)[O-])[*:1]
COc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@@H]([NH3+])C[*:1]
O=C(Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=C(Nc1c2C[S@@](=O)Cc2nn1[*:1])c1ccc2ccccc2c1
CC(=O)Nc1ccc(C(=O)NCC#CC[NH+](C)C)cc1 CC(=O)N[*:1] C[NH+](C)CC#CCNC(=O)c1ccc(cc1)[*:1]
O=C(CC[NH+]1CCN(C(=O)c2ccccc2O)CC1)Nc1ccccc1 Oc1ccccc1[*:1] O=C(CC[NH+]1CCN(CC1)C(=O)[*:1])Nc1ccccc1
O=C(CC[NH+]1CCN(C(=O)c2ccccc2O)CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)C(=O)c1ccccc1O)N[*:1]
CCc1nn(-c2ccc(Cl)nn2)c(CC)c1CC(=O)[O-] O=C([O-])[*:1] CCc1nn(-c2ccc(Cl)nn2)c(CC)c1C[*:1]
CCc1nn(-c2ccc(Cl)nn2)c(CC)c1CC(=O)[O-] O=C([O-])C[*:1] CCc1nn(-c2ccc(Cl)nn2)c(CC)c1[*:1]
O=[N+]([O-])c1ccccc1-c1nnc(-c2ccccn2)o1 c1ccc(nc1)[*:1] O=[N+]([O-])c1ccccc1-c1nnc(o1)[*:1]
O=[N+]([O-])c1ccccc1-c1nnc(-c2ccccn2)o1 O=[N+]([O-])[*:1] c1ccc(nc1)-c1nnc(o1)-c1ccccc1[*:1]
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCN(c2ccccc2)C1=O FC(F)(F)O[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1CCN(C1=O)c1ccccc1
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCN(c2ccccc2)C1=O FC(F)(F)[*:1] O=C(NCc1ccc(cc1)O[*:1])[C@@H]1CCN(C1=O)c1ccccc1
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)OC(F)(F)F)[C@@H]1CCN(C1=O)[*:1]
CC(C)Oc1cccc([C@@H](C)NC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 CC(C)O[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1cccc(c1)[*:1]
CC(C)Oc1cccc([C@@H](C)NC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 CC(C)[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1cccc(c1)O[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(-n2nnnc2C)ccc1F Cc1nnnn1[*:1] CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(ccc1F)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(-n2nnnc2C)ccc1F CCS(=O)(=O)[*:1] Cc1nnnn1-c1ccc(F)c(c1)NC(=O)c1ccccc1[*:1]
COc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1N1CCCCC1=O O=C1CCCCN1[*:1] COc1ccc(cc1[*:1])NC(=O)[C@H]1C[C@H]1C
COc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1N1CCCCC1=O C[C@@H]1C[C@@H]1C(=O)N[*:1] COc1ccc(cc1N1CCCCC1=O)[*:1]
Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c2ccccc2Cl)c(C)c1 Clc1ccccc1[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c2ccccc2Cl)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(C)CC(=O)N[*:1]
O=C(NCCC(=O)N1CCC[C@@H](Cn2cc[nH+]c2)C1)c1ccccc1F Fc1ccccc1[*:1] O=C(CCNC(=O)[*:1])N1CCC[C@H](C1)Cn1cc[nH+]c1
COc1ccc(-c2cc(C(=O)Nc3ccccc3OC)sc2C)cc1 COc1ccc(cc1)[*:1] COc1ccccc1NC(=O)c1cc(c(C)s1)[*:1]
COc1ccc(-c2cc(C(=O)Nc3ccccc3OC)sc2C)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-c1cc(sc1C)C(=O)N[*:1]
C=CCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cccc(OC)c21 C=CC[*:1] COc1cccc2s/c(=N\C(=O)c3cccc(c3)[N+](=O)[O-])n(c12)[*:1]
C=CCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cccc(OC)c21 O=[N+]([O-])[*:1] C=CCn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2cccc(OC)c21
O=C(Cn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cn1c(=O)oc2ccccc21)Nc1cc(cc(c1)[*:1])C(F)(F)F
CCC[C@H]1[C@H](C)CCCN1C(=O)Cc1csc(CC)n1 CCC[*:1] CCc1nc(cs1)CC(=O)N1CCC[C@@H](C)[C@@H]1[*:1]
NC(=O)c1c(NC(=S)NC(=O)c2ccccc2Cl)sc2c1CCCC2 Clc1ccccc1[*:1] NC(=O)c1c(NC(=S)NC(=O)[*:1])sc2CCCCc21
NC(=O)c1c(NC(=S)NC(=O)c2ccccc2Cl)sc2c1CCCC2 NC(=O)[*:1] O=C(NC(=S)Nc1sc2CCCCc2c1[*:1])c1ccccc1Cl
COc1ccc(C[C@H](C)[NH2+][C@H](C)C(=O)N2CCc3ccccc32)cc1 COc1ccc(cc1)[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)C(=O)N1CCc2ccccc21
Cc1cc(C)nc(NNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)n1 Cc1cc(C)nc(n1)[*:1] O=C(NN[*:1])c1sc2cc(ccc2c1Cl)C(F)(F)F
Cc1cc(C)nc(NNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)n1 FC(F)(F)[*:1] Cc1cc(C)nc(n1)NNC(=O)c1sc2cc(ccc2c1Cl)[*:1]
N#C/C(=C\c1cc(Br)cc(Cl)c1O)C(=O)N1CCN(Cc2ccccc2)CC1 Oc1c(Cl)cc(Br)cc1[*:1] N#CC(=C[*:1])C(=O)N1CCN(CC1)Cc1ccccc1
N#C/C(=C\c1cc(Br)cc(Cl)c1O)C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] N#C/C(=C\c1cc(Br)cc(Cl)c1O)C(=O)N1CCN(CC1)C[*:1]
N#C/C(=C\c1cc(Br)cc(Cl)c1O)C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] N#C/C(=C\c1cc(Br)cc(Cl)c1O)C(=O)N1CCN(CC1)[*:1]
CCCn1ccnc1C[C@@H](C[C@H]1CCCO1)[NH2+]C CCC[*:1] C[NH2+][C@@H](Cc1nccn1[*:1])C[C@H]1CCCO1
CCCn1ccnc1C[C@@H](C[C@H]1CCCO1)[NH2+]C C1CO[C@H](C1)[*:1] CCCn1ccnc1C[C@@H](C[*:1])[NH2+]C
CCCn1ccnc1C[C@@H](C[C@H]1CCCO1)[NH2+]C C1CO[C@H](C1)C[*:1] CCCn1ccnc1C[C@@H]([NH2+]C)[*:1]
Cc1cccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 Cc1cccc(c1)NC(=O)[*:1] O=C(OC[*:1])c1cccc(c1)S(=O)(=O)N1CCc2ccccc21
Cc1cccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 Cc1cccc(c1)[*:1] O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc21)N[*:1]
C[C@H](NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccncc1 C[C@H](c1ccncc1)[*:1] C[NH+]1CCN(CC1)C[C@@H](NC(=O)N[*:1])c1ccccc1
C[C@H](NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H](CN1CC[NH+](C)CC1)[*:1])c1ccncc1
C[C@H](NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[*:1]
Cc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(N)=O NC(=O)CO[*:1] Cc1cc(Cl)c(cc1[*:1])S(=O)(=O)NCc1cccnc1
Cc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(N)=O NC(=O)C[*:1] Cc1cc(Cl)c(cc1O[*:1])S(=O)(=O)NCc1cccnc1
Cc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(N)=O c1cncc(c1)[*:1] Cc1cc(Cl)c(cc1OCC(N)=O)S(=O)(=O)NC[*:1]
Cc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(N)=O NC(=O)[*:1] Cc1cc(Cl)c(cc1OC[*:1])S(=O)(=O)NCc1cccnc1
Cc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(N)=O c1cncc(c1)C[*:1] Cc1cc(Cl)c(cc1OCC(N)=O)S(=O)(=O)N[*:1]
CCn1ccc([C@@H](C)NC(=O)c2cnn(CCC(=O)[O-])c2)n1 O=C([O-])[*:1] CCn1ccc(n1)[C@@H](C)NC(=O)c1cnn(c1)CC[*:1]
CCn1ccc([C@@H](C)NC(=O)c2cnn(CCC(=O)[O-])c2)n1 O=C([O-])C[*:1] CCn1ccc(n1)[C@@H](C)NC(=O)c1cnn(c1)C[*:1]
CCn1ccc([C@@H](C)NC(=O)c2cnn(CCC(=O)[O-])c2)n1 O=C([O-])CC[*:1] CCn1ccc(n1)[C@@H](C)NC(=O)c1cnn(c1)[*:1]
CCn1ccc([C@@H](C)NC(=O)c2cnn(CCC(=O)[O-])c2)n1 CCn1ccc(n1)[*:1] C[C@@H](NC(=O)c1cnn(c1)CCC(=O)[O-])[*:1]
Cc1ccsc1CNC(=O)c1cccc(N2CCCNC2=O)c1 Cc1ccsc1C[*:1] O=C(N[*:1])c1cccc(c1)N1CCCNC1=O
Cc1ccsc1CNC(=O)c1cccc(N2CCCNC2=O)c1 Cc1ccsc1[*:1] O=C(NC[*:1])c1cccc(c1)N1CCCNC1=O
Cc1ccsc1CNC(=O)c1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] Cc1ccsc1CNC(=O)c1cccc(c1)[*:1]
Cn1cnnc1CCNC(=O)/C=C/c1ccccc1OC(F)F Cn1cnnc1C[*:1] O=C(/C=C/c1ccccc1OC(F)F)NC[*:1]
Cn1cnnc1CCNC(=O)/C=C/c1ccccc1OC(F)F Cn1cnnc1[*:1] O=C(/C=C/c1ccccc1OC(F)F)NCC[*:1]
Cn1cnnc1CCNC(=O)/C=C/c1ccccc1OC(F)F FC(F)O[*:1] Cn1cnnc1CCNC(=O)/C=C/c1ccccc1[*:1]
Cn1cnnc1CCNC(=O)/C=C/c1ccccc1OC(F)F FC(F)[*:1] Cn1cnnc1CCNC(=O)/C=C/c1ccccc1O[*:1]
CCS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1 CCS(=O)(=O)[*:1] O=C(NCc1ccccc1)Nc1ccc(cc1)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)N[*:1]
CCS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)NC[*:1]
Cc1ccc(CN(C)C(=O)c2cccc(S(N)(=O)=O)c2)c(C)c1 NS(=O)(=O)[*:1] Cc1ccc(CN(C)C(=O)c2cccc(c2)[*:1])c(C)c1
O=C(NCc1ccc(N2CCCC2)[nH+]c1)Nc1nnc(C2CC2)s1 C1CCN(C1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])Nc1nnc(s1)C1CC1
O=C(NCc1ccc(N2CCCC2)[nH+]c1)Nc1nnc(C2CC2)s1 C1CC1[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)Nc1nnc(s1)[*:1]
O=C(NCc1ccc(N2CCCC2)[nH+]c1)Nc1nnc(C2CC2)s1 C1CC1c1nnc(s1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)N[*:1]
CC(C)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl CC(C)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(cc1Cl)C(F)(F)F
CC(C)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl CC(C)C[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1Cl)C(F)(F)F
CC(C)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl CC(C)CC[*:1] O=C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)N[*:1]
CC(C)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] CC(C)CCNC(=O)C(=O)Nc1ccc(cc1Cl)[*:1]
Cn1nnnc1SCC(=O)NCc1ccc(S(N)(=O)=O)cc1 Cn1nnnc1S[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)C[*:1]
Cn1nnnc1SCC(=O)NCc1ccc(S(N)(=O)=O)cc1 Cn1nnnc1[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)CS[*:1]
Cn1nnnc1SCC(=O)NCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cn1nnnc1SCC(=O)NCc1ccc(cc1)[*:1]
CC[NH+](CC)C[C@@H]1CCN(Cc2ccccn2)C1 c1ccc(nc1)[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)C[*:1]
COc1cc(C(=O)N(C2CCCC2)C2CC2)cc(OC)c1OC(F)F C1CC1[*:1] COc1cc(cc(OC)c1OC(F)F)C(=O)N(C1CCCC1)[*:1]
COc1cc(C(=O)N(C2CCCC2)C2CC2)cc(OC)c1OC(F)F C1CCC(C1)[*:1] COc1cc(cc(OC)c1OC(F)F)C(=O)N(C1CC1)[*:1]
COc1cc(C(=O)N(C2CCCC2)C2CC2)cc(OC)c1OC(F)F FC(F)[*:1] COc1cc(cc(OC)c1O[*:1])C(=O)N(C1CCCC1)C1CC1
COc1cc(C(=O)N(C2CCCC2)C2CC2)cc(OC)c1OC(F)F FC(F)O[*:1] COc1cc(cc(OC)c1[*:1])C(=O)N(C1CCCC1)C1CC1
CC(C)C(=O)Nc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)N[C@@H](C)C[*:1]
CC(C)C(=O)Nc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)N[C@@H](C)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)N[C@@H](C)CC[*:1]
CC(C)C(=O)Nc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1 CC(C)C(=O)N[*:1] C[C@@H](CCc1ccccc1)NC(=O)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1 CC(C)[*:1] C[C@@H](CCc1ccccc1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1nn2cc(C(=O)NCc3cccs3)nc2s1 c1csc(c1)C[*:1] Cc1nn2cc(nc2s1)C(=O)N[*:1]
Cc1nn2cc(C(=O)NCc3cccs3)nc2s1 c1csc(c1)[*:1] Cc1nn2cc(nc2s1)C(=O)NC[*:1]
C[NH2+][C@@H](CSC(C)(C)C)[C@@H]1CCOC2(CCSCC2)C1 CC(C)(C)S[*:1] C[NH2+][C@@H](C[*:1])[C@@H]1CCOC2(CCSCC2)C1
C[NH2+][C@@H](CSC(C)(C)C)[C@@H]1CCOC2(CCSCC2)C1 CC(C)(C)[*:1] C[NH2+][C@@H](CS[*:1])[C@@H]1CCOC2(CCSCC2)C1
C[NH2+][C@@H](CSC(C)(C)C)[C@@H]1CCOC2(CCSCC2)C1 CC(C)(C)SC[*:1] C[NH2+][C@@H]([C@@H]1CCOC2(CCSCC2)C1)[*:1]
Cc1cc(C(=O)NCCCn2ccc3ccccc32)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NCCCn1ccc2ccccc21
O[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1CC(F)(F)F c1ccc(cc1)[*:1] O[C@@H]1CC[C@@H](C[C@H]1CC(F)(F)F)[*:1]
O[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1CC(F)(F)F FC(F)(F)C[*:1] O[C@@H]1CC[C@H](C[C@@H]1[*:1])c1ccccc1
O[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1CC(F)(F)F FC(F)(F)[*:1] O[C@@H]1CC[C@H](C[C@H]1C[*:1])c1ccccc1
C[C@@]1(C(=O)NCC2(c3ccncc3)CC2)CCCS1 c1cc(ccn1)[*:1] C[C@]1(CCCS1)C(=O)NCC1(CC1)[*:1]
CCOC(=O)c1ccc(-n2nnc(/C=C\C=C\N3CC[NH+](C)CC3)n2)cc1 CCOC(=O)[*:1] C[NH+]1CCN(/C=C/C=C\c2nnn(n2)-c2ccc(cc2)[*:1])CC1
Cc1ccc(N(CC(=O)Nc2ccccn2)S(=O)(=O)c2ccccc2)cc1 O=C(Nc1ccccn1)[*:1] Cc1ccc(cc1)N(C[*:1])S(=O)(=O)c1ccccc1
Cc1ccc(N(CC(=O)Nc2ccccn2)S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N(CC(=O)Nc1ccccn1)S(=O)(=O)[*:1]
Cc1ccc(N(CC(=O)Nc2ccccn2)S(=O)(=O)c2ccccc2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)N(CC(=O)N[*:1])S(=O)(=O)c1ccccc1
Cc1ccc(N(CC(=O)Nc2ccccn2)S(=O)(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])Nc1ccccn1
Cc1nnc(COC(=O)c2cncc(OC(C)C)c2)n1C CC(C)[*:1] Cc1nnc(COC(=O)c2cncc(c2)O[*:1])n1C
Cc1nnc(COC(=O)c2cncc(OC(C)C)c2)n1C CC(C)O[*:1] Cc1nnc(COC(=O)c2cncc(c2)[*:1])n1C
Cc1nnc(COC(=O)c2cncc(OC(C)C)c2)n1C Cc1nnc(n1C)[*:1] CC(C)Oc1cncc(c1)C(=O)OC[*:1]
C[C@H]1C[C@H](C)CN(C(=O)C(=O)Nc2ccccc2N2CCCC2)C1 C1CCN(C1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)C(=O)Nc1ccccc1[*:1]
CCO[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 CCO[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)N1CCC[C@H](C1)[*:1]
CC1CCN(C(=O)[C@@H]2CCCN(C(=S)N[C@@H](C)c3ccccc3)C2)CC1 C[C@@H](c1ccccc1)[*:1] CC1CCN(CC1)C(=O)[C@@H]1CCCN(C1)C(=S)N[*:1]
CC1CCN(C(=O)[C@@H]2CCCN(C(=S)N[C@@H](C)c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)[C@@H]1CCCN(C1)C(=S)N[C@@H](C)[*:1]
CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 CN(C)[*:1] O=C(NC[C@@H](c1cccs1)[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 O=[N+]([O-])[*:1] CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(c1)[*:1])c1cccs1
CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 c1csc(c1)[*:1] CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(c1)[N+](=O)[O-])[*:1]
O=S(=O)(c1ccccc1Br)N1CCN(C[C@H](O)CO)CC1 OC[C@@H](O)C[*:1] O=S(=O)(c1ccccc1Br)N1CCN(CC1)[*:1]
O=S(=O)(c1ccccc1Br)N1CCN(C[C@H](O)CO)CC1 Brc1ccccc1[*:1] O=S(=O)(N1CCN(CC1)C[C@H](O)CO)[*:1]
O=S(=O)(c1ccccc1Br)N1CCN(C[C@H](O)CO)CC1 OC[C@@H](O)[*:1] O=S(=O)(c1ccccc1Br)N1CCN(CC1)C[*:1]
COc1cccc(CC(=O)Nc2cccc(-c3ccn[nH]3)c2)c1 c1cc([nH]n1)[*:1] COc1cccc(c1)CC(=O)Nc1cccc(c1)[*:1]
COCCN(CC(C)C)C(=O)N[C@@H](C)c1cc(C)sc1C Cc1cc(c(C)s1)[*:1] COCCN(CC(C)C)C(=O)N[C@@H](C)[*:1]
COCCN(CC(C)C)C(=O)N[C@@H](C)c1cc(C)sc1C COCC[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)N(CC(C)C)[*:1]
COCCN(CC(C)C)C(=O)N[C@@H](C)c1cc(C)sc1C CC(C)C[*:1] COCCN(C(=O)N[C@@H](C)c1cc(C)sc1C)[*:1]
COCCN(CC(C)C)C(=O)N[C@@H](C)c1cc(C)sc1C CC(C)[*:1] COCCN(C[*:1])C(=O)N[C@@H](C)c1cc(C)sc1C
COCCN(CC(C)C)C(=O)N[C@@H](C)c1cc(C)sc1C COC[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)N(CC(C)C)C[*:1]
Cc1oc(C(=O)OCc2ccnc(Cl)c2)cc1S(=O)(=O)N(C)C Clc1cc(ccn1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)OC[*:1]
Cc1oc(C(=O)OCc2ccnc(Cl)c2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)OCc1ccnc(Cl)c1
O=C(NOCc1ccccc1)C(=O)Nc1cc(F)ccc1Cl c1ccc(cc1)C[*:1] O=C(NO[*:1])C(=O)Nc1cc(F)ccc1Cl
O=C(NOCc1ccccc1)C(=O)Nc1cc(F)ccc1Cl c1ccc(cc1)[*:1] O=C(NOC[*:1])C(=O)Nc1cc(F)ccc1Cl
COc1cc2c(cc1OC)C[NH+](Cc1ncc(C(C)(C)C)o1)CC2 CC(C)(C)[*:1] COc1cc2CC[NH+](Cc3ncc(o3)[*:1])Cc2cc1OC
O=C(NCCCNc1ccc([N+](=O)[O-])c2cccnc12)c1cccc(O)c1 O=[N+]([O-])[*:1] O=C(NCCCNc1ccc(c2cccnc12)[*:1])c1cccc(O)c1
O=C(NCCCNc1ccc([N+](=O)[O-])c2cccnc12)c1cccc(O)c1 Oc1cccc(c1)[*:1] O=C(NCCCNc1ccc(c2cccnc12)[N+](=O)[O-])[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)NC[C@H]2CCCO[C@H]2C(C)C)n1 CC(C)[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)NC[C@H]1CCCO[C@@H]1[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)NC[C@H]2CCCO[C@H]2C(C)C)n1 Cc1nc(C)n(n1)[*:1] CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccccc1[*:1]
CCOC(=O)c1cccc(N[C@H]2CCCN(c3ccccc3)C2)n1 c1ccc(cc1)[*:1] CCOC(=O)c1cccc(n1)N[C@H]1CCCN(C1)[*:1]
CCOC(=O)c1cccc(N[C@H]2CCCN(c3ccccc3)C2)n1 CCOC(=O)[*:1] c1ccc(cc1)N1CCC[C@@H](C1)Nc1cccc(n1)[*:1]
COc1cc(C(=O)N2CCC(C(C)C)CC2)cc(NC(C)=O)c1OC CC(C)[*:1] COc1cc(cc(NC(C)=O)c1OC)C(=O)N1CCC(CC1)[*:1]
COc1cc(C(=O)N2CCC(C(C)C)CC2)cc(NC(C)=O)c1OC CC(=O)N[*:1] COc1cc(cc(c1OC)[*:1])C(=O)N1CCC(CC1)C(C)C
Cc1ccc([C@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@@H]2[NH3+])o1 Cc1ccc(o1)[*:1] Cn1cnc(c1)S(=O)(=O)N1C[C@@H]([C@@H]([NH3+])C1)[*:1]
Cc1ccc([C@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@@H]2[NH3+])o1 Cn1cnc(c1)[*:1] Cc1ccc(o1)[C@H]1CN(C[C@@H]1[NH3+])S(=O)(=O)[*:1]
COc1ccccc1OCC(=O)Nc1nc2c(cc(OC)c3ncccc32)s1 COc1ccccc1O[*:1] COc1cc2sc(nc2c2cccnc12)NC(=O)C[*:1]
COc1ccccc1OCC(=O)Nc1nc2c(cc(OC)c3ncccc32)s1 COc1ccccc1[*:1] COc1cc2sc(nc2c2cccnc12)NC(=O)CO[*:1]
Cc1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)sc1C C1CC1[*:1] Cc1cc(sc1C)S(=O)(=O)NC1CC[NH+](CC1)[*:1]
COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCN(c3ncccn3)C1)CC2 c1cnc(nc1)[*:1] COc1ccc2CC[C@@H](Cc2c1)[NH2+]C[C@@H]1CCCN(C1)[*:1]
CC(=O)c1cnc2sc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(C)c2c1 Cc1ccc(cc1)[*:1] CC(=O)c1cnc2sc(C(=O)N3CCN(CC3)S(=O)(=O)[*:1])c(C)c2c1
CC(=O)c1cnc2sc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(C)c2c1 CC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1sc2ncc(cc2c1C)[*:1]
C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccon2)CC1 c1cc(no1)[*:1] C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC1)C[*:1]
C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccon2)CC1 Brc1ccc(cc1)[*:1] C[C@H](N1CC[NH+](CC1)Cc1ccon1)[*:1]
C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccon2)CC1 c1cc(C[*:1])no1 C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC1)[*:1]
CCn1cc(NC(=O)[C@H](C)n2cccn2)cn1 c1cnn(c1)[*:1] CCn1cc(cn1)NC(=O)[C@H](C)[*:1]
COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COc1ccc(OC)c(c1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@H]2[*:1]
C[C@H](O)C[C@@H](C)CNC(=O)N[C@@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] C[C@H](O)C[C@@H](C)CNC(=O)N[C@@H](c1ccccc1F)[*:1]
C[C@H](O)C[C@@H](C)CNC(=O)N[C@@H](c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] C[C@H](O)C[C@@H](C)CNC(=O)N[C@@H](C1CCCC1)[*:1]
C[C@H](O)C[C@@H](C)CNC(=O)N[C@@H](c1ccccc1F)C1CCCC1 C[C@H](O)C[*:1] C[C@@H](CNC(=O)N[C@@H](c1ccccc1F)C1CCCC1)[*:1]
C[C@H](O)C[C@@H](C)CNC(=O)N[C@@H](c1ccccc1F)C1CCCC1 C[C@H](O)[*:1] C[C@@H](CNC(=O)N[C@@H](c1ccccc1F)C1CCCC1)C[*:1]
Cc1ccc([C@](C)(O)CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)o1 Cc1ccc(o1)[*:1] C[C@H](CNC(=O)NC[C@](C)(O)[*:1])C[NH+]1CCCCC1
CCCCC(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 CCCCC(=O)N[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
CCCCC(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 CCCC[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCCCC(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 O=C([O-])[*:1] CCCCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1]
CCCCC(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 CCC[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)[O-]
CNC(=O)[C@@H](CC(C)C)NC(=O)c1c[nH]c2nccc(Cl)c12 CC(C)C[*:1] CNC(=O)[C@@H](NC(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)c1c[nH]c2nccc(Cl)c12 CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NC(=O)c1c[nH]c2nccc(Cl)c12
CNC(=O)[C@@H](CC(C)C)NC(=O)c1c[nH]c2nccc(Cl)c12 CNC(=O)[*:1] CC(C)C[C@@H](NC(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
Cc1ccc(CNC(=O)C(=O)NCCc2ccc3c(c2)CCCN3C)cc1 Cc1ccc(cc1)C[*:1] CN1CCCc2cc(ccc21)CCNC(=O)C(=O)N[*:1]
Cc1ccc(CNC(=O)C(=O)NCCc2ccc3c(c2)CCCN3C)cc1 Cc1ccc(cc1)[*:1] CN1CCCc2cc(ccc21)CCNC(=O)C(=O)NC[*:1]
Cn1cccc1C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 Cn1cccc1[*:1] N#C[C@H](C(=O)[*:1])c1nnc2CCCCCn21
CN(C)c1ccc(C2=NNC(c3cccnc3)=Nc3ccc(Br)cc32)cc1 CN(C)[*:1] Brc1ccc2N=C(NN=C(c3ccc(cc3)[*:1])c2c1)c1cccnc1
CN(C)c1ccc(C2=NNC(c3cccnc3)=Nc3ccc(Br)cc32)cc1 c1cncc(c1)[*:1] CN(C)c1ccc(cc1)C1=NNC(=Nc2ccc(Br)cc21)[*:1]
CN(C)c1ccc(C2=NNC(c3cccnc3)=Nc3ccc(Br)cc32)cc1 CN(C)c1ccc(cc1)[*:1] Brc1ccc2N=C(NN=C(c2c1)[*:1])c1cccnc1
CCn1c(SCc2nc(-c3cc(Br)cs3)no2)nnc1C1CC1 Brc1csc(c1)[*:1] CCn1c(nnc1C1CC1)SCc1nc(no1)[*:1]
CCn1c(SCc2nc(-c3cc(Br)cs3)no2)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])SCc1nc(no1)-c1cc(Br)cs1
CC(C)(C)OC(=O)NC1CCN(C(=O)C[NH3+])CC1 CC(C)(C)[*:1] [NH3+]CC(=O)N1CCC(CC1)NC(=O)O[*:1]
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1ccc(F)cc1)C[*:1]
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 Fc1ccc(cc1)C[*:1] O=C(CN(S(=O)(=O)c1cc(Cl)ccc1Cl)[*:1])N1CCCC1
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 O=C(C[*:1])N1CCCC1 O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1ccc(F)cc1)[*:1]
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 Clc1ccc(Cl)c(c1)[*:1] O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)[*:1])N1CCCC1
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(CN(C[*:1])S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O Fc1ccc(cc1F)[*:1] CC[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O)[*:1]
Cc1cc(C)cc([C@H](O)C[NH2+]C2(C(N)=O)CCCCC2)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)[C@H](O)C[NH2+]C1(CCCCC1)[*:1]
O=C(c1ccc2c(c1)COCO2)N1CCC[C@@H]1C1CCCC1 C1CCC(C1)[*:1] O=C(c1ccc2OCOCc2c1)N1CCC[C@H]1[*:1]
CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1c(C)nn2CC c1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(C[*:1])c(=O)c2c1c(C)nn2CC
CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1c(C)nn2CC c1ccc(cc1)C[*:1] CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(c(=O)c2c1c(C)nn2CC)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3O)[C@@H](C)C2)c(O)c1 Cc1ccc(c(O)c1)[*:1] Cc1ccc(C(=O)N2CCN(C(=O)[*:1])[C@@H](C)C2)c(O)c1
Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3O)[C@@H](C)C2)c(O)c1 Cc1ccc(c(O)c1)[*:1] Cc1ccc(C(=O)N2CCN(C[C@@H]2C)C(=O)[*:1])c(O)c1
Cc1nnc2n1CCC[C@H]2NC(=O)c1cccc(CN2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)c1cccc(c1)C[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)c1cccc(CN2CCOCC2)c1 C1CN(CCO1)C[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)c1cccc(c1)[*:1]
O=C(CCCc1ccccc1)NNC(=O)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(CCCc1ccccc1)NNC(=O)NC[*:1]
O=C(CCCc1ccccc1)NNC(=O)NCc1ccccn1 c1ccc(cc1)[*:1] O=C(CCC[*:1])NNC(=O)NCc1ccccn1
O=C(CCCc1ccccc1)NNC(=O)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(CCCc1ccccc1)NNC(=O)N[*:1]
O=C(CCCc1ccccc1)NNC(=O)NCc1ccccn1 c1ccc(cc1)C[*:1] O=C(CC[*:1])NNC(=O)NCc1ccccn1
C[C@H](C1CC1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 C1CC1[*:1] C[C@H](N(C)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1)[*:1]
C[C@H](C1CC1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](C1CC1)N(C)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CC(=O)OCCCC[C@H]1CCCO1 CC(=O)O[*:1] C(CC[*:1])C[C@H]1CCCO1
CCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1cccc(F)c1)CC2 Fc1cccc(c1)[*:1] CCOC(=O)Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1]
CCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1cccc(F)c1)CC2 CCOC(=O)N[*:1] O=S(=O)(c1cccc(F)c1)N1CCc2nc(sc2C1)[*:1]
NC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 NC(=O)[*:1] O=C(N[C@@H]1CCN(C1)c1cccc(Cl)c1)N[C@@H]1CCC[C@@H]1[*:1]
NC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] NC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@@H]1CCN(C1)[*:1]
Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1nccs1 c1csc(C[*:1])n1 Cc1nc(sc1C(=O)N(C)[*:1])-c1ccccn1
Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1nccs1 c1ccc(nc1)[*:1] Cc1nc(sc1C(=O)N(C)Cc1nccs1)[*:1]
Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1nccs1 c1csc(n1)[*:1] Cc1nc(sc1C(=O)N(C)C[*:1])-c1ccccn1
CC1=NC(c2ccc(F)cc2)=C[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC1=NC(=C[C@H]1C(=O)N1CCN(CC1)[*:1])c1ccc(F)cc1
CC1=NC(c2ccc(F)cc2)=C[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 Fc1ccc(cc1)[*:1] CC1=NC(=C[C@H]1C(=O)N1CCN(CC1)Cc1ccccc1)[*:1]
CC1=NC(c2ccc(F)cc2)=C[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC1=NC(=C[C@H]1C(=O)N1CCN(CC1)C[*:1])c1ccc(F)cc1
Cc1noc(/C=C/c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1noc(/C=C/c2ccc(Cl)cc2Cl)c1[*:1]
O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 c1cnn(c1)[*:1] O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CCCN(C1)c1cc(ncn1)[*:1]
O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 Clc1ccc2nc(sc2c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1cc(ncn1)-n1cccn1
CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C)c2nccs2)cc1 CC(C)NC(=O)N[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1nccs1
CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C)c2nccs2)cc1 CC(C)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)NC(=O)N[*:1])c1nccs1
CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C)c2nccs2)cc1 c1csc(n1)[*:1] CC(C)NC(=O)Nc1ccc(cc1)C[NH2+][C@H](C)[*:1]
COC(=O)c1sccc1CN1CCN(c2ncccc2F)CC1 COC(=O)[*:1] Fc1cccnc1N1CCN(CC1)Cc1ccsc1[*:1]
COC(=O)c1sccc1CN1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] COC(=O)c1sccc1CN1CCN(CC1)[*:1]
O=C(Nc1cccc(C(=O)N2CCCc3ccccc32)c1)c1cc2ccoc2cn1 c1cc2cc(ncc2o1)[*:1] O=C(c1cccc(c1)NC(=O)[*:1])N1CCCc2ccccc21
CC[C@H](C)Oc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 CC[C@H](C)O[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
CC[C@H](C)Oc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)N1CCO[C@H](C1)[*:1]
CC[C@H](C)Oc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 CC[C@H](C)[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1 c1ccc(cc1)[*:1] COC(=O)c1cccc(c1)NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1 COC(=O)c1cccc(c1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1 c1ccc(cc1)C[*:1] COC(=O)c1cccc(c1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
COc1ccc(C(=O)NC[C@@](C)(O)CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)NC[C@@](C)(O)C[*:1]
COc1ccc(C(=O)NC[C@@](C)(O)CCc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NC[C@@](C)(O)CC[*:1]
Cc1sc2ncn(CC(=O)N3CCN(c4ncccn4)CC3)c(=O)c2c1C c1cnc(nc1)[*:1] Cc1sc2ncn(CC(=O)N3CCN(CC3)[*:1])c(=O)c2c1C
CN(C)C(=O)C1=CCN(Cc2cccc(F)c2)CC1 CN(C)C(=O)[*:1] Fc1cccc(c1)CN1CC=C(CC1)[*:1]
Cc1cc(F)cc2c1N(C(=O)Cc1ccc(-n3cnnn3)cc1)CCC2 c1nnnn1[*:1] Cc1cc(F)cc2CCCN(C(=O)Cc3ccc(cc3)[*:1])c12
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@@H](C)[C@@H](C)O)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)[C@H](C)S[C@@H](C)[C@@H](C)O)c(C)c1[*:1]
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@@H](C)[C@@H](C)O)c1C C[C@@H](O)[*:1] COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@@H](C)[*:1])c1C
COC[C@H](C)O[C@H]1CCC[C@]([NH2+]C(C)C)(C(N)=O)C1 NC(=O)[*:1] COC[C@H](C)O[C@H]1CCC[C@@](C1)([NH2+]C(C)C)[*:1]
COC[C@H](C)O[C@H]1CCC[C@]([NH2+]C(C)C)(C(N)=O)C1 CC(C)[*:1] COC[C@H](C)O[C@H]1CCC[C@](C1)([NH2+][*:1])C(N)=O
COC[C@H](C)O[C@H]1CCC[C@]([NH2+]C(C)C)(C(N)=O)C1 COC[C@H](C)[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H](C1)O[*:1])C(N)=O
COC[C@H](C)O[C@H]1CCC[C@]([NH2+]C(C)C)(C(N)=O)C1 COC[C@H](C)O[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H](C1)[*:1])C(N)=O
COC[C@H](C)O[C@H]1CCC[C@]([NH2+]C(C)C)(C(N)=O)C1 COC[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H](C1)O[C@@H](C)[*:1])C(N)=O
Cc1ccccc1SCC(=O)N1CCC[C@H]1C(N)=O NC(=O)[*:1] Cc1ccccc1SCC(=O)N1CCC[C@@H]1[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccccc1 CC(C)[*:1] CS(=O)(=O)NCc1ccc(cc1)NC(=O)[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)Nc1ccc(cc1)CNS(C)(=O)=O)[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccccc1 CS(=O)(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1ccc(cc1)C[*:1])c1ccccc1
CC(C)[C@@H](C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccccc1 CS(=O)(=O)NC[*:1] CC(C)[C@@H](C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@]12C(=O)N(CCC)c1ccccc12 CCC[*:1] CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2C[*:1]
CCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@]12C(=O)N(CCC)c1ccccc12 CCCC[*:1] CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2[*:1]
CCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@]12C(=O)N(CCC)c1ccccc12 CCC[*:1] CCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@]12C(=O)N(c1ccccc12)[*:1]
CCN(CC)C(=O)[C@H]1CCC(=O)N1Cc1ccc(C)o1 Cc1ccc(o1)[*:1] CCN(CC)C(=O)[C@H]1CCC(=O)N1C[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC)c1 Clc1ccc(cc1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccc(c1)OC
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC)c1 COC[*:1] COc1cccc(c1)[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1C[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC)c1 COCC[*:1] COc1cccc(c1)[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(OC)c1 O=C(c1ccc(Cl)cc1)[*:1] COCCN1C(=O)C([O-])=C([C@@H]1c1cccc(c1)OC)[*:1]
CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc(-n2cncn2)cc1 Brc1ccc(cc1)[*:1] CN(Cc1ccc(o1)[*:1])C(=O)c1ccc(cc1)-n1cncn1
CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CN(Cc1ccc(o1)-c1ccc(Br)cc1)C(=O)c1ccc(cc1)[*:1]
CC[C@@](C)([NH2+]CC(=O)Nc1ccc(Br)cc1F)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)([NH2+]CC(=O)Nc1ccc(Br)cc1F)[*:1]
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NC2(C(N)=O)CCCCC2)C1 NC(=O)[*:1] CC(C)CNC(=O)N1CCC[C@H](CC(=O)NC2(CCCCC2)[*:1])C1
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NC2(C(N)=O)CCCCC2)C1 CC(C)C[*:1] NC(=O)C1(CCCCC1)NC(=O)C[C@H]1CCCN(C1)C(=O)N[*:1]
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NC2(C(N)=O)CCCCC2)C1 CC(C)[*:1] NC(=O)C1(CCCCC1)NC(=O)C[C@H]1CCCN(C1)C(=O)NC[*:1]
Cc1cccc(C(N)=O)c1NCC(=O)N[C@H](c1ccc(F)cc1)C(C)C Fc1ccc(cc1)[*:1] Cc1cccc(C(N)=O)c1NCC(=O)N[C@H](C(C)C)[*:1]
Cc1cccc(C(N)=O)c1NCC(=O)N[C@H](c1ccc(F)cc1)C(C)C CC(C)[*:1] Cc1cccc(C(N)=O)c1NCC(=O)N[C@H](c1ccc(F)cc1)[*:1]
Cc1cccc(C(N)=O)c1NCC(=O)N[C@H](c1ccc(F)cc1)C(C)C NC(=O)[*:1] Cc1cccc(c1NCC(=O)N[C@H](c1ccc(F)cc1)C(C)C)[*:1]
COc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1N1CCCC1=O Cc1cccc(c1)[*:1] COc1ccc(cc1N1CCCC1=O)NC(=O)N1CCC[C@H]1[*:1]
COc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1N1CCCC1=O O=C1CCCN1[*:1] COc1ccc(cc1[*:1])NC(=O)N1CCC[C@@H]1c1cccc(C)c1
CC[C@H](CO)Nc1cc(C)c([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CC[C@H](CO)Nc1cc(C)c(cn1)[*:1]
CC[C@H](CO)Nc1cc(C)c([N+](=O)[O-])cn1 CC[C@H](CO)[*:1] Cc1cc(ncc1[N+](=O)[O-])N[*:1]
C[C@]1(C(=O)Nc2ccn(Cc3ccccc3Cl)n2)Sc2ccccc2NC1=O Clc1ccccc1[*:1] C[C@@]1(Sc2ccccc2NC1=O)C(=O)Nc1ccn(C[*:1])n1
C[C@]1(C(=O)Nc2ccn(Cc3ccccc3Cl)n2)Sc2ccccc2NC1=O Clc1ccccc1C[*:1] C[C@@]1(Sc2ccccc2NC1=O)C(=O)Nc1ccn(n1)[*:1]
CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC1)[*:1]
CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC1)C[*:1]
CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC(=O)[O-])CC1 CC[C@@H](C)[*:1] [NH3+][C@@H](C(=O)N1CCC(CC1)CC(=O)[O-])[*:1]
CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(C(=O)c1ccc3c(c1)nc(C)n3-c1ccccc1)CC2 c1ccc(cc1)[*:1] CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(CC2)C(=O)c1ccc2c(c1)nc(C)n2[*:1]
CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(C(=O)c1ccc3c(c1)nc(C)n3-c1ccccc1)CC2 COC(=O)[*:1] CCON1C(=O)C[C@@H](C12CCN(CC2)C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H]([C@H](O)Cc2ccc(Cl)cc2)C1 CS(=O)(=O)[*:1] O[C@H](Cc1ccc(Cl)cc1)[C@@H]1CCC[C@@H](C1)[*:1]
Cn1ccnc1[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1)[*:1]
Cn1ccnc1[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1 c1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccc(F)cc1
Cn1ccnc1[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1 Cn1ccnc1[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1
CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccn3)[nH]n2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc([nH]n1)-c1ccccn1
CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccn3)[nH]n2)cc1 c1ccc(nc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1cc([nH]n1)[*:1]
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cncc2ccccc12 C1CO[C@H](C1)C[*:1] C[C@@H](O[*:1])C(=O)Nc1cncc2ccccc12
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cncc2ccccc12 C1CO[C@H](C1)CO[*:1] C[C@@H](C(=O)Nc1cncc2ccccc12)[*:1]
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cncc2ccccc12 C1CO[C@H](C1)[*:1] C[C@@H](OC[*:1])C(=O)Nc1cncc2ccccc12
COCCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 COCC[*:1] O=C(NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)N[*:1]
COCCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 c1ccc(cc1)[*:1] COCCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1C[*:1]
COCCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 c1ccc(cc1)C[*:1] COCCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1[*:1]
COCCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 COC[*:1] O=C(NC[*:1])NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1
Cc1nc(N2CCN(c3ccccc3O)CC2)nc2cc3c(cc12)CCC3 Oc1ccccc1[*:1] Cc1nc(nc2cc3CCCc3cc12)N1CCN(CC1)[*:1]
Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[*:1])C(=O)N[C@H](C)C#N)[N+](=O)[O-]
Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C#N)cc1[N+](=O)[O-] C[C@H](C#N)[*:1] Cc1c(cc(cc1[N+](=O)[O-])C(=O)N[*:1])[N+](=O)[O-]
O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[*:1]
O=C(C[S@](=O)Cc1ccc(F)cc1)NCC(F)(F)F FC(F)(F)[*:1] O=C(C[S@](=O)Cc1ccc(F)cc1)NC[*:1]
O=C(C[S@](=O)Cc1ccc(F)cc1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(C[S@](=O)Cc1ccc(F)cc1)N[*:1]
CC[C@@H]1CCCCN1C(=O)NCCNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)NCCNC(=O)[*:1]
CN(C)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CN(C)c1ccc(cc1)C(=O)N1CCC[C@@H]1C[*:1]
CN(C)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1 Clc1ccccc1C[*:1] CN(C)c1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
CN(C)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1 CN(C)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@@H]1Cc1ccccc1Cl
CCOc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(c1ccccc1)N1CCN(CC1)[C@H]1CC(=O)N(C1=O)[*:1]
CCOc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 CCO[*:1] O=C(c1ccccc1)N1CCN(CC1)[C@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)C[C@@H](C1=O)N1CCN(CC1)C(=O)[*:1]
CCCC/C(N)=N/OCC(=O)Nc1ccc(F)c(Cl)c1 CCC[*:1] N/C(C[*:1])=N\OCC(=O)Nc1ccc(F)c(Cl)c1
CCCC/C(N)=N/OCC(=O)Nc1ccc(F)c(Cl)c1 CCCC[*:1] N/C(=N\OCC(=O)Nc1ccc(F)c(Cl)c1)[*:1]
O=C(Cc1c(F)cccc1Cl)Nc1cccnc1-n1cccn1 c1cnn(c1)[*:1] O=C(Cc1c(F)cccc1Cl)Nc1cccnc1[*:1]
CCCNC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCCNC(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
CCCNC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 CCC[*:1] C[C@H](c1ccc(cc1)S(C)(=O)=O)N(C)C(=O)N[*:1]
CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 O=[N+]([O-])[*:1] CCC[C@@H]1CN(CCO1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 CCC[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N1CCO[C@@H](C1)[*:1]
CN(Cc1cnn(-c2ccccc2)n1)C(=O)NCc1ccncc1 c1ccc(cc1)[*:1] CN(Cc1cnn(n1)[*:1])C(=O)NCc1ccncc1
CN(Cc1cnn(-c2ccccc2)n1)C(=O)NCc1ccncc1 c1cc(ccn1)C[*:1] CN(Cc1cnn(n1)-c1ccccc1)C(=O)N[*:1]
CN(Cc1cnn(-c2ccccc2)n1)C(=O)NCc1ccncc1 c1cc(ccn1)[*:1] CN(Cc1cnn(n1)-c1ccccc1)C(=O)NC[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 CC(=O)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1]
CC[C@H]1c2ccccc2CCN1C(=O)c1cc(C)n(C)n1 Cc1cc(nn1C)[*:1] CC[C@H]1c2ccccc2CCN1C(=O)[*:1]
C[C@@H](C(=O)NC(C)(C)c1ccc(F)cc1Cl)S(C)(=O)=O C[C@@H](S(C)(=O)=O)[*:1] CC(C)(NC(=O)[*:1])c1ccc(F)cc1Cl
C[C@@H](C(=O)NC(C)(C)c1ccc(F)cc1Cl)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](C(=O)NC(C)(C)c1ccc(F)cc1Cl)[*:1]
C=CCCOC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 C=CCC[*:1] O=C(O[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
C=CCCOC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 C=CC[*:1] O=C(OC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
C=CCCOC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 C=CCCOC(=O)[*:1] O=S(=O)(c1ccc2ccccc2c1)N1CCC(CC1)[*:1]
Cc1cc(C)cc(NC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)c1 O=C(N1CCCCC1)[*:1] Cc1cc(C)cc(c1)NC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)[*:1]
Cc1cc(C)cc(NC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)c1 Cc1cc(C)cc(c1)[*:1] O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)C(=O)N1CCCCC1)N[*:1]
Cc1cc(C)cc(NC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)c1 Cc1cc(C)cc(c1)NC(=O)[*:1] O=C(c1ccc2c(c1)N(C[*:1])C(=O)[C@@H]1CCCCN21)N1CCCCC1
CC(C)CN1CCN(C(=O)c2cnc[nH]c2=O)[C@H](C)C1=O CC(C)C[*:1] C[C@@H]1C(=O)N(CCN1C(=O)c1cnc[nH]c1=O)[*:1]
CC(C)CN1CCN(C(=O)c2cnc[nH]c2=O)[C@H](C)C1=O O=c1[nH]cncc1[*:1] CC(C)CN1CCN(C(=O)[*:1])[C@H](C)C1=O
CC(C)CN1CCN(C(=O)c2cnc[nH]c2=O)[C@H](C)C1=O CC(C)[*:1] C[C@@H]1C(=O)N(CCN1C(=O)c1cnc[nH]c1=O)C[*:1]
COc1ccc([C@@H]2CCCN2C(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)c2c(ncn2CCCC(=O)N2CCC[C@H]2[*:1])n(C)c1=O
COc1ccc2oc(C)c(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c2c1 CC(C)(C)[*:1] COc1ccc2oc(C)c(C(=O)NCC(C)(C)NC(=O)O[*:1])c2c1
COc1ccc2oc(C)c(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c2c1 CC(C)(C)OC(=O)N[*:1] COc1ccc2oc(C)c(C(=O)NCC(C)(C)[*:1])c2c1
CCn1c(SCC(=O)N2CCN(Cc3ccccc3C)CC2)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N1CCN(CC1)Cc1ccccc1C
CCn1c(SCC(=O)N2CCN(Cc3ccccc3C)CC2)nnc1-c1cccs1 Cc1ccccc1C[*:1] CCn1c(nnc1-c1cccs1)SCC(=O)N1CCN(CC1)[*:1]
CCn1c(SCC(=O)N2CCN(Cc3ccccc3C)CC2)nnc1-c1cccs1 Cc1ccccc1[*:1] CCn1c(nnc1-c1cccs1)SCC(=O)N1CCN(CC1)C[*:1]
O=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccco1)[*:1]
O=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)c1ccccc1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)-c1nnc(o1)[*:1])c1ccccc1
CC(=O)N[C@@H](C(=O)[O-])C(c1ccccc1)c1ccccc1 O=C([O-])[*:1] CC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)[*:1]
CC(=O)N[C@@H](C(=O)[O-])C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](C(=O)[O-])C(c1ccccc1)[*:1]
CC(=O)N[C@@H](C(=O)[O-])C(c1ccccc1)c1ccccc1 CC(=O)N[*:1] O=C([O-])[C@@H](C(c1ccccc1)c1ccccc1)[*:1]
CC(C)(C(=O)OC1CCN(CC(F)(F)F)CC1)c1cccc(F)c1 FC(F)(F)C[*:1] CC(C)(C(=O)OC1CCN(CC1)[*:1])c1cccc(F)c1
CC(C)(C(=O)OC1CCN(CC(F)(F)F)CC1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(C(=O)OC1CCN(CC1)CC(F)(F)F)[*:1]
CC(C)(C(=O)OC1CCN(CC(F)(F)F)CC1)c1cccc(F)c1 FC(F)(F)[*:1] CC(C)(C(=O)OC1CCN(CC1)C[*:1])c1cccc(F)c1
CC[C@H](C)Nc1ncnc(Nc2cc(Cl)c(OC)cc2OC)c1N CC[C@H](C)[*:1] COc1cc(OC)c(cc1Cl)Nc1ncnc(N[*:1])c1N
CC[C@H](C)Nc1ncnc(Nc2cc(Cl)c(OC)cc2OC)c1N CC[C@H](C)N[*:1] COc1cc(OC)c(cc1Cl)Nc1ncnc(c1N)[*:1]
CO[C@@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(C)(C)C CO[C@@H](C(C)(C)C)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)NC[*:1]
CO[C@@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(C)(C)C CC(C)(C)[*:1] CO[C@@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)[*:1]
CO[C@@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(C)(C)C Clc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)C[C@@H](O)[*:1])C(C)(C)C
O=C(OCCn1nc2ccccn2c1=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(OCCn1nc2ccccn2c1=O)[C@@H]1C[C@H]1[*:1]
CO[C@@H]1CCCN(C(=O)c2ccc3nc(C4CCCCC4)oc3c2)C1 C1CCC(CC1)[*:1] CO[C@@H]1CCCN(C1)C(=O)c1ccc2nc(oc2c1)[*:1]
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H](C)O[*:1]
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H](C)[*:1]
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1 Cc1cc(Cl)ccc1[*:1] C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)CO[*:1]
Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccccc2C(N)=O)c(C)c1 NC(=O)[*:1] Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccccc2[*:1])c(C)c1
O=C(CCC(=O)N1CCOCC1)NCc1ccc(NC(=O)c2ccco2)cc1 O=C(C[*:1])N1CCOCC1 O=C(C[*:1])NCc1ccc(cc1)NC(=O)c1ccco1
O=C(CCC(=O)N1CCOCC1)NCc1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 O=C(CCC(=O)N1CCOCC1)NCc1ccc(cc1)[*:1]
O=C(CCC(=O)N1CCOCC1)NCc1ccc(NC(=O)c2ccco2)cc1 O=C(N1CCOCC1)[*:1] O=C(CC[*:1])NCc1ccc(cc1)NC(=O)c1ccco1
O=C(CCC(=O)N1CCOCC1)NCc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] O=C(CCC(=O)N1CCOCC1)NCc1ccc(cc1)NC(=O)[*:1]
O=S(=O)(c1ccc(-n2cnnn2)cc1)N1CC=CCC1 c1nnnn1[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CC=CCC1
CC1=CC[C@@H]2C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@H]2C1 O=C([O-])[*:1] CC1=CC[C@@H]2C(=O)N(C(=O)[C@H]2C1)c1ccc(Cl)c(c1)[*:1]
O=C(COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3)C2)cc1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)c1cccs1)[*:1])N1CCCCC1
O=C(COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3)C2)cc1)N1CCCCC1 O=C(CO[*:1])N1CCCCC1 O=C(c1cccs1)N1N=C(C[C@H]1c1ccccc1)c1ccc(cc1)[*:1]
O=C(COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3)C2)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(c1cccs1)N1N=C(C[C@H]1c1ccccc1)c1ccc(cc1)OC[*:1]
O=C(COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3)C2)cc1)N1CCCCC1 c1csc(c1)[*:1] O=C(COc1ccc(cc1)C1C[C@@H](c2ccccc2)N(N=1)C(=O)[*:1])N1CCCCC1
O=C(COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3)C2)cc1)N1CCCCC1 O=C(C[*:1])N1CCCCC1 O=C(c1cccs1)N1N=C(C[C@H]1c1ccccc1)c1ccc(cc1)O[*:1]
C#CCNC(=O)c1ccc(C(N)=O)nc1 NC(=O)[*:1] C#CCNC(=O)c1ccc(nc1)[*:1]
C#CCNC(=O)c1ccc(C(N)=O)nc1 C#CC[*:1] NC(=O)c1ccc(cn1)C(=O)N[*:1]
CCN(Cc1ccccc1C)C(=O)NCc1nnc2ccccn12 Cc1ccccc1C[*:1] CCN(C(=O)NCc1nnc2ccccn12)[*:1]
CCN(Cc1ccccc1C)C(=O)NCc1nnc2ccccn12 Cc1ccccc1[*:1] CCN(C[*:1])C(=O)NCc1nnc2ccccn12
CC1(C)S[C@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-] N[C@@H](c1ccccc1)[*:1] CC1(C)S[C@H]2[C@H](NC(=O)[*:1])C(=O)N2[C@H]1C(=O)[O-]
CC1(C)S[C@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)S[C@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@@H]1[*:1]
CC1(C)S[C@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-] c1ccc(cc1)[*:1] CC1(C)S[C@H]2[C@H](NC(=O)[C@@H](N)[*:1])C(=O)N2[C@H]1C(=O)[O-]
Cc1cc(CCCC(=O)Nc2ncn(CC(=O)N(C)C)n2)c(C)s1 Cc1cc(C[*:1])c(C)s1 CN(C)C(=O)Cn1cnc(n1)NC(=O)CC[*:1]
Cc1cc(CCCC(=O)Nc2ncn(CC(=O)N(C)C)n2)c(C)s1 CN(C)C(=O)[*:1] Cc1cc(CCCC(=O)Nc2ncn(C[*:1])n2)c(C)s1
Cc1cc(CCCC(=O)Nc2ncn(CC(=O)N(C)C)n2)c(C)s1 Cc1cc(c(C)s1)[*:1] CN(C)C(=O)Cn1cnc(n1)NC(=O)CCC[*:1]
Cc1cc(CCCC(=O)Nc2ncn(CC(=O)N(C)C)n2)c(C)s1 CN(C)C(=O)C[*:1] Cc1cc(CCCC(=O)Nc2ncn(n2)[*:1])c(C)s1
O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCOCC3)cc2)cc1 O=[N+]([O-])[*:1] C(=N/Nc1ccc(cc1)[*:1])\c1ccc(cc1)N1CCOCC1
O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCOCC3)cc2)cc1 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccc(cc1)N/N=C/c1ccc(cc1)[*:1]
CCCCNc1ccccc1C(=O)N1CC[C@H](C)[C@@H](O)C1 CCCC[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1ccccc1N[*:1]
CCCCNc1ccccc1C(=O)N1CC[C@H](C)[C@@H](O)C1 CCC[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1ccccc1NC[*:1]
CCCCNc1ccccc1C(=O)N1CC[C@H](C)[C@@H](O)C1 CCCCN[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1ccccc1[*:1]
C#CC[C@H](C)OC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1 CC(C)[*:1] C#CC[C@H](C)OC(=O)[C@@H](S(=O)(=O)C1CCCCC1)[*:1]
C#CC[C@H](C)OC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1 C#CC[C@H](C)[*:1] CC(C)[C@H](C(=O)O[*:1])S(=O)(=O)C1CCCCC1
C#CC[C@H](C)OC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1 C1CCC(CC1)[*:1] C#CC[C@H](C)OC(=O)[C@@H](C(C)C)S(=O)(=O)[*:1]
C#CC[C@H](C)OC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1 C#CC[*:1] CC(C)[C@H](C(=O)O[C@@H](C)[*:1])S(=O)(=O)C1CCCCC1
C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)CC1(C)C C[C@@H]1CCCC[C@H]1[*:1] C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)N[*:1])CC1(C)C
C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)CC1(C)C C[C@H]1CCCC[C@H]1NC(=O)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C[*:1])C(C)(C)C1
C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)CC1(C)C C[C@@H]1CCCC[C@H]1NC(=O)[*:1] C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC1(C)C)C[*:1]
C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)CC1(C)C C[C@H]1CCCC[C@@H]1[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)N[*:1])C(C)(C)C1
Cc1nnnn1-c1cc(NC(=O)N[C@@H]2C[C@@H]2C)ccc1F Cc1nnnn1[*:1] C[C@H]1C[C@H]1NC(=O)Nc1ccc(F)c(c1)[*:1]
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2=O c1coc(c1)[*:1] C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(CC1)C(=O)[*:1])C2=O
COc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2F)c(OC)c1OC Fc1ccccc1[*:1] COc1ccc(C(=O)N[C@H]2C[C@H]2[*:1])c(OC)c1OC
CC1(C)CCCC[C@H]1NC(=O)Nc1ccccc1C(=O)[O-] O=C([O-])[*:1] CC1(C)CCCC[C@H]1NC(=O)Nc1ccccc1[*:1]
Cc1ccc(Sc2cc3c(cc2NS(=O)(=O)c2ccccc2)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(S[*:1])c(cc21)NS(=O)(=O)c1ccccc1
Cc1ccc(Sc2cc3c(cc2NS(=O)(=O)c2ccccc2)n(C)c(=O)n3C)cc1 O=S(=O)(N[*:1])c1ccccc1 Cc1ccc(cc1)Sc1cc2c(cc1[*:1])n(C)c(=O)n2C
Cc1ccc(Sc2cc3c(cc2NS(=O)(=O)c2ccccc2)n(C)c(=O)n3C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Sc1cc2c(cc1NS(=O)(=O)[*:1])n(C)c(=O)n2C
Cc1ccc(Sc2cc3c(cc2NS(=O)(=O)c2ccccc2)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)S[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NS(=O)(=O)c1ccccc1)[*:1]
Cc1cc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)on1 Cc1cc(on1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCCC1)[*:1]
Cc1cc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)on1 C1CCCN(CC1)[*:1] Cc1cc(on1)C(=O)NCc1ccc([nH+]c1)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nccn(CC(C)C)c2=O)C1 CC(C)[*:1] CCC[C@H](C)NC(=O)[C@@H]1CCCN(C1)c1nccn(C[*:1])c1=O
CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nccn(CC(C)C)c2=O)C1 CCC[C@H](C)[*:1] CC(C)Cn1ccnc(c1=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nccn(CC(C)C)c2=O)C1 CCC[*:1] CC(C)Cn1ccnc(c1=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nccn(CC(C)C)c2=O)C1 CCC[C@H](C)NC(=O)[*:1] CC(C)Cn1ccnc(c1=O)N1CCC[C@H](C1)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nccn(CC(C)C)c2=O)C1 CC(C)C[*:1] CCC[C@H](C)NC(=O)[C@@H]1CCCN(C1)c1nccn(c1=O)[*:1]
CC[C@]1(c2ccc(OC(C)C)cc2)NC(=O)N(CC(=O)[O-])C1=O CC(C)[*:1] CC[C@@]1(NC(=O)N(CC(=O)[O-])C1=O)c1ccc(cc1)O[*:1]
CC[C@]1(c2ccc(OC(C)C)cc2)NC(=O)N(CC(=O)[O-])C1=O O=C([O-])[*:1] CC[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(cc1)OC(C)C
CC[C@]1(c2ccc(OC(C)C)cc2)NC(=O)N(CC(=O)[O-])C1=O CC(C)O[*:1] CC[C@@]1(NC(=O)N(CC(=O)[O-])C1=O)c1ccc(cc1)[*:1]
CC[C@]1(c2ccc(OC(C)C)cc2)NC(=O)N(CC(=O)[O-])C1=O O=C([O-])C[*:1] CC[C@@]1(NC(=O)N(C1=O)[*:1])c1ccc(cc1)OC(C)C
COC[C@@H](C)CC(=O)Nc1ccc(O)cc1C COC[*:1] Cc1cc(O)ccc1NC(=O)C[C@H](C)[*:1]
COC[C@@H](C)CC(=O)Nc1ccc(O)cc1C COC[C@@H](C)[*:1] Cc1cc(O)ccc1NC(=O)C[*:1]
C[C@H](NC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])c1ccc(cc1)Cn1cc(Cl)c(n1)[N+](=O)[O-]
C[C@H](NC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)c1ccccc1 O=[N+]([O-])c1nn(cc1Cl)[*:1] C[C@H](NC(=O)c1ccc(cc1)C[*:1])c1ccccc1
C[C@H](NC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)Cn1cc(Cl)c(n1)[N+](=O)[O-])[*:1]
C[C@H](NC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)c1ccccc1 O=[N+]([O-])[*:1] C[C@H](NC(=O)c1ccc(cc1)Cn1cc(Cl)c(n1)[*:1])c1ccccc1
CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 CCNC(=O)C[*:1] O=S(=O)(c1ccccc1)N(C1CCCCC1)[*:1]
CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 C1CCC(CC1)[*:1] CCNC(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)CN(C1CCCCC1)S(=O)(=O)[*:1]
CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 CCNC(=O)[*:1] O=S(=O)(c1ccccc1)N(C[*:1])C1CCCCC1
O=C(NCC1CC1)[C@H]1CSCN1C(=O)C[C@H]1CCCc2ccccc21 C1CC1[*:1] O=C(NC[*:1])[C@H]1CSCN1C(=O)C[C@H]1CCCc2ccccc21
O=C(NCC1CC1)[C@H]1CSCN1C(=O)C[C@H]1CCCc2ccccc21 O=C(NCC1CC1)[*:1] O=C(C[C@H]1CCCc2ccccc21)N1CSC[C@@H]1[*:1]
O=C(NCC1CC1)[C@H]1CSCN1C(=O)C[C@H]1CCCc2ccccc21 C1CC1C[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)C[C@H]1CCCc2ccccc21
Cc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(O)cc1 C1CN(CCO1)[*:1] Cc1nc(ncc1C(=O)Nc1ccc(O)cc1)[*:1]
Cc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc(O)cc1 Oc1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)N[*:1])N1CCOCC1
CCOc1cccc2cc(C(=O)N(Cc3cccnc3)c3nc4c(F)cc(F)cc4s3)oc12 Fc1cc(F)c2nc(sc2c1)[*:1] CCOc1cccc2cc(oc12)C(=O)N(Cc1cccnc1)[*:1]
CCOc1cccc2cc(C(=O)N(Cc3cccnc3)c3nc4c(F)cc(F)cc4s3)oc12 c1cncc(c1)C[*:1] CCOc1cccc2cc(oc12)C(=O)N(c1nc2c(F)cc(F)cc2s1)[*:1]
CCOc1cccc2cc(C(=O)N(Cc3cccnc3)c3nc4c(F)cc(F)cc4s3)oc12 CCO[*:1] O=C(c1cc2cccc(c2o1)[*:1])N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1
CCOc1cccc2cc(C(=O)N(Cc3cccnc3)c3nc4c(F)cc(F)cc4s3)oc12 c1cncc(c1)[*:1] CCOc1cccc2cc(oc12)C(=O)N(C[*:1])c1nc2c(F)cc(F)cc2s1
O=c1[nH]ncc(NC[C@@H](O)c2ccco2)c1Cl c1coc(c1)[*:1] O=c1[nH]ncc(NC[C@@H](O)[*:1])c1Cl
CCc1cc(N2CCC[C@@]3(CCC(=O)N(CCCOC)C3)C2)nc(C)[nH+]1 COC[*:1] CCc1cc(nc(C)[nH+]1)N1CCC[C@@]2(CCC(=O)N(CC[*:1])C2)C1
CCc1cc(N2CCC[C@@]3(CCC(=O)N(CCCOC)C3)C2)nc(C)[nH+]1 COCC[*:1] CCc1cc(nc(C)[nH+]1)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
CCc1cc(N2CCC[C@@]3(CCC(=O)N(CCCOC)C3)C2)nc(C)[nH+]1 COCCC[*:1] CCc1cc(nc(C)[nH+]1)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
Cc1ccccc1-n1ccnc1SCC(=O)C(C#N)=C1N(C)c2ccccc2N1C Cc1ccccc1[*:1] CN1C(=C(C#N)C(=O)CSc2nccn2[*:1])N(C)c2ccccc21
COc1ccc([C@@H]([NH2+][C@H](C)c2ccccc2C)C2CCOCC2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)[C@@H]([NH2+][C@H](C)[*:1])C1CCOCC1
COc1ccc([C@@H]([NH2+][C@H](C)c2ccccc2C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H]([NH2+][C@H](C)c1ccccc1C)[*:1]
COc1ccc([C@@H]([NH2+][C@H](C)c2ccccc2C)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1[C@@H](C)[NH2+][C@@H](C1CCOCC1)[*:1]
C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)C1 C[C@H]1CCCN(C1)C(=O)[*:1] O=S(=O)(c1cccc2nsnc12)N1CCC(CC1)[*:1]
C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)C1 c1cc(c2nsnc2c1)[*:1] C[C@H]1CCCN(C1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@H]1CCCC[C@H]1C O=C([O-])[*:1] COc1cc(ccc1OCC(=O)N[C@H]1CCCC[C@H]1C)[*:1]
Cn1cc(Br)cc1C(=O)NNC(=O)NCCC1CCCCC1 C1CCC(CC1)C[*:1] Cn1cc(Br)cc1C(=O)NNC(=O)NC[*:1]
Cn1cc(Br)cc1C(=O)NNC(=O)NCCC1CCCCC1 C1CCC(CC1)[*:1] Cn1cc(Br)cc1C(=O)NNC(=O)NCC[*:1]
Cn1cc(Br)cc1C(=O)NNC(=O)NCCC1CCCCC1 Cn1cc(Br)cc1[*:1] O=C(NCCC1CCCCC1)NNC(=O)[*:1]
CCCN(C)c1nccn2c(=O)n(CC(=O)Nc3cccc(SC)c3)nc12 CCCN(C)[*:1] CSc1cccc(c1)NC(=O)Cn1nc2c(nccn2c1=O)[*:1]
CCCN(C)c1nccn2c(=O)n(CC(=O)Nc3cccc(SC)c3)nc12 CSc1cccc(c1)[*:1] CCCN(C)c1nccn2c(=O)n(CC(=O)N[*:1])nc12
CCCN(C)c1nccn2c(=O)n(CC(=O)Nc3cccc(SC)c3)nc12 CCC[*:1] CSc1cccc(c1)NC(=O)Cn1nc2c(nccn2c1=O)N(C)[*:1]
CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N[C@@H]1CC(=O)N(C1)[*:1]
C[NH+]1CCCN(Cn2nc(-c3ccccc3F)ccc2=O)CC1 Fc1ccccc1[*:1] C[NH+]1CCCN(CC1)Cn1nc(ccc1=O)[*:1]
Cc1cccc([C@H]2C[C@@H]2C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)c1 Cc1cccc(c1)[*:1] Cc1nc(C)n(n1)[C@H]1CCCN(C1)C(=O)[C@H]1C[C@@H]1[*:1]
Cc1cccc([C@H]2C[C@@H]2C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)c1 Cc1nc(C)n(n1)[*:1] Cc1cccc(c1)[C@H]1C[C@@H]1C(=O)N1CCC[C@H](C1)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N1CCc2ccc(O)cc2C1 CC[C@@H](C)NC(=O)[*:1] O=C(NCC[*:1])N1CCc2ccc(O)cc2C1
CC[C@@H](C)NC(=O)CCNC(=O)N1CCc2ccc(O)cc2C1 CC[C@@H](C)[*:1] O=C(CCNC(=O)N1CCc2ccc(O)cc2C1)N[*:1]
CN(C)C1=C(Cl)C(=O)N(c2cccc(Cl)c2)C1 CN(C)[*:1] O=C1C(Cl)=C(CN1c1cccc(Cl)c1)[*:1]
Cc1nc(Sc2ccc(S(C)(=O)=O)cc2)c2cc[nH]c2n1 CS(=O)(=O)[*:1] Cc1nc(Sc2ccc(cc2)[*:1])c2cc[nH]c2n1
COc1ccc(CC(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3Cl)s2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1nnc(s1)S(=O)(=O)Cc1ccccc1Cl
COc1ccc(CC(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3Cl)s2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1nnc(s1)S(=O)(=O)Cc1ccccc1Cl)[*:1]
COc1ccc(CC(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3Cl)s2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)CC(=O)Nc1nnc(s1)S(=O)(=O)C[*:1]
COc1ccc(CC(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3Cl)s2)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)CC(=O)Nc1nnc(s1)S(=O)(=O)[*:1]
Cc1noc(C)c1C[NH2+][C@H]1C[C@@H]2CCCc3cccc1c32 Cc1noc(C)c1[*:1] c1cc2CCC[C@H]3C[C@H]([NH2+]C[*:1])c(c1)c23
CSCCCNC(=O)NCC(=O)Nc1cccc(F)c1 CSC[*:1] O=C(CNC(=O)NCC[*:1])Nc1cccc(F)c1
CSCCCNC(=O)NCC(=O)Nc1cccc(F)c1 CSCCC[*:1] O=C(CNC(=O)N[*:1])Nc1cccc(F)c1
CSCCCNC(=O)NCC(=O)Nc1cccc(F)c1 CSCC[*:1] O=C(CNC(=O)NC[*:1])Nc1cccc(F)c1
CC[C@@H](C)c1nc2ccccc2n1C[C@@H](O)COC(C)(C)C CC(C)(C)O[*:1] CC[C@@H](C)c1nc2ccccc2n1C[C@@H](O)C[*:1]
CC[C@@H](C)c1nc2ccccc2n1C[C@@H](O)COC(C)(C)C CC[C@@H](C)[*:1] CC(C)(C)OC[C@H](O)Cn1c(nc2ccccc21)[*:1]
CC[C@@H](C)c1nc2ccccc2n1C[C@@H](O)COC(C)(C)C CC(C)(C)OC[*:1] CC[C@@H](C)c1nc2ccccc2n1C[C@@H](O)[*:1]
CC[C@@H](C)c1nc2ccccc2n1C[C@@H](O)COC(C)(C)C CC(C)(C)[*:1] CC[C@@H](C)c1nc2ccccc2n1C[C@@H](O)CO[*:1]
CC[C@@H]1CCC[C@H](NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 Cc1n[nH]c(C)c1[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)[C@@H](C)C[*:1]
C[C@H](C(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccsc1 C1CC1[*:1] C[C@H](C(=O)N(Cc1ccc(F)cc1)[*:1])c1ccsc1
C[C@H](C(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccsc1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)N(C[*:1])C1CC1)c1ccsc1
C[C@H](C(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)N(Cc1ccc(F)cc1)C1CC1)[*:1]
C=CC[NH+](Cc1ccc(OC)cc1)Cn1nc(C)c2ccccc2c1=O COc1ccc(cc1)[*:1] C=CC[NH+](Cn1nc(C)c2ccccc2c1=O)C[*:1]
Cc1cccc(CN(C)c2ncc(C[NH2+]C(C)C)s2)n1 CC(C)[*:1] Cc1cccc(CN(C)c2ncc(C[NH2+][*:1])s2)n1
CC(C)Oc1ccccc1NC(=O)N1CCSC(C)(C)C1 CC(C)[*:1] CC1(C)CN(CCS1)C(=O)Nc1ccccc1O[*:1]
CC(C)Oc1ccccc1NC(=O)N1CCSC(C)(C)C1 CC(C)O[*:1] CC1(C)CN(CCS1)C(=O)Nc1ccccc1[*:1]
COC(=O)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CC1 COC(=O)[*:1] O=C(N[C@H](C[*:1])C1CC1)[C@H]1C[C@@H]1c1ccc(F)cc1
COC(=O)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)[*:1]
COC(=O)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] COC(=O)C[C@@H](NC(=O)[C@H]1C[C@H]1[*:1])C1CC1
COC(=O)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CC1 COC(=O)C[*:1] O=C(N[C@@H](C1CC1)[*:1])[C@H]1C[C@@H]1c1ccc(F)cc1
Cc1cc(OCCCc2ccncc2)ncc1N c1cc(ccn1)[*:1] Cc1cc(ncc1N)OCCC[*:1]
CCOC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 CCOC(=O)N[*:1] O=C(Nc1cccc(c1)N1CCCC1=O)c1cccc(c1)[*:1]
CCOC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 O=C1CCCN1[*:1] CCOC(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
CCOC1CCN(C(=O)c2ccc(C)cc2F)CC1 CCO[*:1] Cc1ccc(C(=O)N2CCC(CC2)[*:1])c(F)c1
COCCNC(=O)C(=O)Nc1ccccc1F COCC[*:1] O=C(Nc1ccccc1F)C(=O)N[*:1]
COCCNC(=O)C(=O)Nc1ccccc1F COC[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1F
CCC[C@@H](NC(=O)c1cnc(N2CCOCC2)nc1)c1cccs1 C1CN(CCO1)[*:1] CCC[C@@H](NC(=O)c1cnc(nc1)[*:1])c1cccs1
CCC[C@@H](NC(=O)c1cnc(N2CCOCC2)nc1)c1cccs1 CCC[*:1] O=C(N[C@@H](c1cccs1)[*:1])c1cnc(nc1)N1CCOCC1
CCC[C@@H](NC(=O)c1cnc(N2CCOCC2)nc1)c1cccs1 c1csc(c1)[*:1] CCC[C@@H](NC(=O)c1cnc(nc1)N1CCOCC1)[*:1]
CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 C1CCN(CC1)[*:1] CCCC(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 FC(F)(F)[*:1] CCCC(=O)Nc1cc(ccc1N1CCCCC1)[*:1]
CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 CCC[*:1] O=C(Nc1cc(ccc1N1CCCCC1)C(F)(F)F)[*:1]
CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 CCCC(=O)N[*:1] FC(F)(F)c1ccc(c(c1)[*:1])N1CCCCC1
Cc1ccsc1[C@@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] Cc1ccsc1[C@@H](C)[NH2+]CCCc1nc(cs1)[*:1]
Cc1ccsc1[C@@H](C)[NH2+]CCCc1nc(-c2ccncc2)cs1 Cc1ccsc1[*:1] C[C@@H]([NH2+]CCCc1nc(cs1)-c1ccncc1)[*:1]
C[C@@H](C1CC1)N(C(=O)c1cc[nH]n1)C1CC1 C[C@@H](C1CC1)[*:1] O=C(c1cc[nH]n1)N(C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)c1cc[nH]n1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)c1cc[nH]n1)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)c1cc[nH]n1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)c1cc[nH]n1)[*:1]
C[C@@H](C1CC1)N(C(=O)c1cc[nH]n1)C1CC1 c1cc(n[nH]1)[*:1] C[C@@H](C1CC1)N(C(=O)[*:1])C1CC1
CCC[C@@H](C)N1C[C@@H](C(=O)NNC(=O)c2oc3ccccc3c2C)CC1=O CCC[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)[C@H]1CC(=O)N(C1)[C@H](C)[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)NNC(=O)c2oc3ccccc3c2C)CC1=O CCC[C@@H](C)[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCC[NH+]1CCCCCC1)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] O=C(NCCC[NH+]1CCCCCC1)c1cnc(s1)[*:1]
C[C@@H](NC(=O)Nc1ccc(F)c(C(N)=O)c1)c1nnc2ccccn12 NC(=O)[*:1] C[C@@H](NC(=O)Nc1ccc(F)c(c1)[*:1])c1nnc2ccccn12
CCc1nn(C)c(OC)c1CNC(=O)c1ccc(C(F)(F)F)nc1C FC(F)(F)[*:1] CCc1nn(C)c(OC)c1CNC(=O)c1ccc(nc1C)[*:1]
Clc1ccc(OCC[NH2+][C@@H]2CCc3cc4c(cc32)OCCO4)nc1 Clc1ccc(nc1)O[*:1] c1c2CC[C@@H]([NH2+]CC[*:1])c2cc2OCCOc12
Clc1ccc(OCC[NH2+][C@@H]2CCc3cc4c(cc32)OCCO4)nc1 Clc1ccc(nc1)[*:1] c1c2CC[C@@H]([NH2+]CCO[*:1])c2cc2OCCOc12
C[C@H]([NH2+]CC1CCCC1)[C@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+]CC1CCCC1)[C@H](C)[*:1]
COC(=O)C1=C(CS(=O)(=O)c2cc(C)ccc2C)NC(=O)N[C@@H]1c1ccc(C)cc1 Cc1ccc(C)c(c1)[*:1] COC(=O)C1=C(CS(=O)(=O)[*:1])NC(=O)N[C@@H]1c1ccc(C)cc1
COC(=O)C1=C(CS(=O)(=O)c2cc(C)ccc2C)NC(=O)N[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)C1=C(CS(=O)(=O)c2cc(C)ccc2C)NC(=O)N[C@H]1[*:1]
COC(=O)C1=C(CS(=O)(=O)c2cc(C)ccc2C)NC(=O)N[C@@H]1c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@H]1NC(=O)NC(CS(=O)(=O)c2cc(C)ccc2C)=C1[*:1]
O=C(NC1CCCCC1)c1occc1CN1C(=O)Cc2ccccc21 C1CCC(CC1)[*:1] O=C(N[*:1])c1occc1CN1C(=O)Cc2ccccc21
COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3cc(C)n(C)n3)C2)cc1C Cc1cc(nn1C)[*:1] COc1c(C)cc(cc1C)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(NC(=O)CN(C)C(=O)c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)NC(=O)CN(C)C(=O)[*:1]
Cc1ccc(NC(=O)C[C@@H]([NH2+]Cc2ccccn2)C(=O)[O-])c(C)c1 c1ccc(nc1)[*:1] Cc1ccc(NC(=O)C[C@@H]([NH2+]C[*:1])C(=O)[O-])c(C)c1
Cc1ccc(NC(=O)C[C@@H]([NH2+]Cc2ccccn2)C(=O)[O-])c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(C[C@@H]([NH2+]Cc1ccccn1)C(=O)[O-])N[*:1]
Cc1ccc(NC(=O)C[C@@H]([NH2+]Cc2ccccn2)C(=O)[O-])c(C)c1 c1ccc(C[*:1])nc1 Cc1ccc(NC(=O)C[C@@H]([NH2+][*:1])C(=O)[O-])c(C)c1
CCCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 CCC[*:1] CC(=O)N1c2ccccc2[C@H](C[C@H]1C)N(C(=O)C[*:1])c1ccccc1
CCCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 CCCC[*:1] CC(=O)N1c2ccccc2[C@H](C[C@H]1C)N(C(=O)[*:1])c1ccccc1
CCCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 c1ccc(cc1)[*:1] CCCCC(=O)N([C@H]1C[C@@H](C)N(C(C)=O)c2ccccc21)[*:1]
C[C@H](O)CN1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)CC1 C[C@H](O)C[*:1] O=C(c1cc(n[nH]1)-c1ccc2OCOc2c1)N1CCN(CC1)[*:1]
NS(=O)(=O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 NS(=O)(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(Br)ccc1Cl
O=C(c1ccc2nccn2c1)N1CCC([C@@H](O)CCc2ccccc2)CC1 c1cn2cc(ccc2n1)[*:1] O=C(N1CCC(CC1)[C@@H](O)CCc1ccccc1)[*:1]
O=C(c1ccc2nccn2c1)N1CCC([C@@H](O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc2nccn2c1)N1CCC(CC1)[C@@H](O)C[*:1]
O=C(c1ccc2nccn2c1)N1CCC([C@@H](O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc2nccn2c1)N1CCC(CC1)[C@@H](O)CC[*:1]
O=C(c1ccc2nccn2c1)N1CCC([C@@H](O)CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(c1ccc2nccn2c1)N1CCC(CC1)[C@@H](O)[*:1]
C=CCCC(=O)NCC(C)(C)NS(C)(=O)=O CS(=O)(=O)N[*:1] C=CCCC(=O)NCC(C)(C)[*:1]
C=CCCC(=O)NCC(C)(C)NS(C)(=O)=O C=CCC[*:1] CC(C)(CNC(=O)[*:1])NS(C)(=O)=O
C=CCCC(=O)NCC(C)(C)NS(C)(=O)=O C=CC[*:1] CC(C)(CNC(=O)C[*:1])NS(C)(=O)=O
O=C(CCc1ccccc1)Nc1nnc(-c2ccsc2)o1 c1ccc(cc1)C[*:1] O=C(C[*:1])Nc1nnc(o1)-c1ccsc1
O=C(CCc1ccccc1)Nc1nnc(-c2ccsc2)o1 c1cc(cs1)[*:1] O=C(CCc1ccccc1)Nc1nnc(o1)[*:1]
O=C(CCc1ccccc1)Nc1nnc(-c2ccsc2)o1 c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1nnc(o1)-c1ccsc1
O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cnn(-c2ccccc2)c1 c1c[nH]c(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cnn(c1)-c1ccccc1
O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccc[nH]1)c1cnn(c1)[*:1]
O=C(N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)c1ccc[nH]1 Fc1ccc(cc1)[*:1] O=C(N[C@@H]1CC(=O)N(C1)C[*:1])c1ccc[nH]1
O=C(N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C1C[C@H](CN1Cc1ccc(F)cc1)NC(=O)[*:1]
CC(=O)NCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C CC(=O)NCC[*:1] CC(C)c1cc(C(=O)N[*:1])c2cnn(c2n1)C(C)C
CC(=O)NCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C CC(=O)NC[*:1] CC(C)c1cc(C(=O)NC[*:1])c2cnn(c2n1)C(C)C
CC(=O)NCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C CC(C)[*:1] CC(=O)NCCNC(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
CC(=O)NCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C CC(C)[*:1] CC(=O)NCCNC(=O)c1cc(nc2c1cnn2[*:1])C(C)C
CC(=O)NCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C CC(=O)N[*:1] CC(C)c1cc(C(=O)NCC[*:1])c2cnn(c2n1)C(C)C
CCN(CC)C(=O)N[C@@H](C)c1cccc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] CCN(CC)C(=O)N[C@@H](C)c1cccc(C=C[*:1])c1
CCN(CC)C(=O)N[C@@H](C)c1cccc(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] CCN(CC)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
CCOc1ccc2sc(NC(NC(C)=O)(C(F)(F)F)C(F)(F)F)nc2c1 CCO[*:1] CC(=O)NC(Nc1nc2cc(ccc2s1)[*:1])(C(F)(F)F)C(F)(F)F
CCOc1ccc2sc(NC(NC(C)=O)(C(F)(F)F)C(F)(F)F)nc2c1 CC(=O)N[*:1] CCOc1ccc2sc(nc2c1)NC(C(F)(F)F)(C(F)(F)F)[*:1]
CCOc1ccc2sc(NC(NC(C)=O)(C(F)(F)F)C(F)(F)F)nc2c1 FC(F)(F)[*:1] CCOc1ccc2sc(nc2c1)NC(NC(C)=O)(C(F)(F)F)[*:1]
Cc1cc(=O)c(C(=O)NCCc2ccccc2F)nn1-c1ccccc1F Fc1ccccc1CC[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)N[*:1]
Cc1cc(=O)c(C(=O)NCCc2ccccc2F)nn1-c1ccccc1F Fc1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)NCCc1ccccc1F
Cc1cc(=O)c(C(=O)NCCc2ccccc2F)nn1-c1ccccc1F Fc1ccccc1[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)NCC[*:1]
Cc1cc(=O)c(C(=O)NCCc2ccccc2F)nn1-c1ccccc1F Fc1ccccc1C[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)NC[*:1]
C=CCNC(=O)NC(=O)CSc1nnc(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] C=CCNC(=O)NC(=O)CSc1nnc(C)n1C[*:1]
C=CCNC(=O)NC(=O)CSc1nnc(C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] C=CCNC(=O)NC(=O)CSc1nnc(C)n1[*:1]
C=CCNC(=O)NC(=O)CSc1nnc(C)n1Cc1ccccc1 C=CC[*:1] Cc1nnc(SCC(=O)NC(=O)N[*:1])n1Cc1ccccc1
Cc1ccc(CNC(=O)N(C)[C@@H](C)c2ccco2)c(OC(C)(C)C)c1 c1coc(c1)[*:1] Cc1ccc(CNC(=O)N(C)[C@@H](C)[*:1])c(c1)OC(C)(C)C
Cc1ccc(CNC(=O)N(C)[C@@H](C)c2ccco2)c(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1ccc(CNC(=O)N(C)[C@@H](C)c2ccco2)c(c1)[*:1]
Cc1ccc(CNC(=O)N(C)[C@@H](C)c2ccco2)c(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(CNC(=O)N(C)[C@@H](C)c2ccco2)c(c1)O[*:1]
C[C@H](C(=O)Nc1sccc1C#N)N1CC[NH+](CC(=O)NC2CC2)CC1 N#Cc1ccsc1[*:1] C[C@H](C(=O)N[*:1])N1CC[NH+](CC1)CC(=O)NC1CC1
C[C@H](C(=O)Nc1sccc1C#N)N1CC[NH+](CC(=O)NC2CC2)CC1 O=C(C[*:1])NC1CC1 C[C@H](C(=O)Nc1sccc1C#N)N1CC[NH+](CC1)[*:1]
C[C@H](C(=O)Nc1sccc1C#N)N1CC[NH+](CC(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] C[C@H](C(=O)Nc1sccc1C#N)N1CC[NH+](CC1)C[*:1]
C[C@H](C(=O)Nc1sccc1C#N)N1CC[NH+](CC(=O)NC2CC2)CC1 C1CC1[*:1] C[C@H](C(=O)Nc1sccc1C#N)N1CC[NH+](CC1)CC(=O)N[*:1]
COc1cccc2cc(C(=O)N(Cc3ccccc3F)C[C@@H]3CCCO3)c(=O)oc12 Fc1ccccc1[*:1] COc1cccc2cc(C(=O)N(C[C@@H]3CCCO3)C[*:1])c(=O)oc12
COc1cccc2cc(C(=O)N(Cc3ccccc3F)C[C@@H]3CCCO3)c(=O)oc12 Fc1ccccc1C[*:1] COc1cccc2cc(C(=O)N(C[C@@H]3CCCO3)[*:1])c(=O)oc12
O=C(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1cc(Cl)ccn1 FC(F)(F)CO[*:1] O=C(N[C@H]1CCC[C@@H](C1)[*:1])c1cc(Cl)ccn1
O=C(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1cc(Cl)ccn1 Clc1ccnc(c1)[*:1] O=C(N[C@H]1CCC[C@H](C1)OCC(F)(F)F)[*:1]
O=C(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1cc(Cl)ccn1 FC(F)(F)C[*:1] O=C(N[C@H]1CCC[C@H](C1)O[*:1])c1cc(Cl)ccn1
O=C(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1cc(Cl)ccn1 FC(F)(F)[*:1] O=C(N[C@H]1CCC[C@H](C1)OC[*:1])c1cc(Cl)ccn1
CC1(C)C[C@@H](Nc2cc(S(C)(=O)=O)ccc2Cl)C(C)(C)O1 CS(=O)(=O)[*:1] CC1(C)C[C@@H](Nc2cc(ccc2Cl)[*:1])C(C)(C)O1
CC[C@@H](C)CN(C)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 CC[C@@H](C)[*:1] CN(C[*:1])S(=O)(=O)c1c[nH]c2nccc(Cl)c12
CC[C@@H](C)CN(C)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 CC[C@@H](C)C[*:1] CN(S(=O)(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CC[C@@H](C)[S@](=O)CCC1OCCCO1 CC[C@@H](C)[*:1] O=[S@](CCC1OCCCO1)[*:1]
N#CCCN(C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(Cl)c1 N#CC[*:1] O=C(OCC(=O)N(C[*:1])c1cccc(Cl)c1)c1n[nH]c(=O)c2ccccc12
N#CCCN(C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] N#CCCN(C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)[*:1]
N#CCCN(C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(Cl)c1 N#CCC[*:1] O=C(OCC(=O)N(c1cccc(Cl)c1)[*:1])c1n[nH]c(=O)c2ccccc12
NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)C(=O)N[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])C(=O)Nc1ccc(F)cc1
COCCCCNC(=O)Nc1cc(C)nn1C COCC[*:1] Cc1cc(NC(=O)NCC[*:1])n(C)n1
COCCCCNC(=O)Nc1cc(C)nn1C COC[*:1] Cc1cc(NC(=O)NCCC[*:1])n(C)n1
COCCCCNC(=O)Nc1cc(C)nn1C COCCC[*:1] Cc1cc(NC(=O)NC[*:1])n(C)n1
Cc1ccc(Nc2ncnc(Oc3cccc4cccnc34)c2N)cc1Cl Cc1ccc(cc1Cl)[*:1] Nc1c(ncnc1Oc1cccc2cccnc12)N[*:1]
Cc1ccc(Nc2ncnc(Oc3cccc4cccnc34)c2N)cc1Cl Cc1ccc(cc1Cl)N[*:1] Nc1c(ncnc1[*:1])Oc1cccc2cccnc12
CC[C@H](O)CN1CCN(C(=O)C[C@H](C)OC)CC1 CO[C@@H](C)[*:1] CC[C@H](O)CN1CCN(CC1)C(=O)C[*:1]
CC[C@H](O)CN1CCN(C(=O)C[C@H](C)OC)CC1 CC[C@H](O)[*:1] CO[C@@H](C)CC(=O)N1CCN(CC1)C[*:1]
CC[C@H](O)CN1CCN(C(=O)C[C@H](C)OC)CC1 CC[C@H](O)C[*:1] CO[C@@H](C)CC(=O)N1CCN(CC1)[*:1]
CC[C@H](O)CN1CCN(C(=O)C[C@H](C)OC)CC1 CO[C@@H](C)C[*:1] CC[C@H](O)CN1CCN(CC1)C(=O)[*:1]
CCCN(CC(C)(C)C[NH3+])[C@H](C)c1cnccn1 CCC[*:1] C[C@H](c1cnccn1)N(CC(C)(C)C[NH3+])[*:1]
CCCN(CC(C)(C)C[NH3+])[C@H](C)c1cnccn1 c1cnc(cn1)[*:1] CCCN(CC(C)(C)C[NH3+])[C@H](C)[*:1]
C[NH+](C)CCN(C(=O)C1CCCC1)c1nc2ccc(OC(F)(F)F)cc2s1 FC(F)(F)[*:1] C[NH+](C)CCN(C(=O)C1CCCC1)c1nc2ccc(cc2s1)O[*:1]
C[NH+](C)CCN(C(=O)C1CCCC1)c1nc2ccc(OC(F)(F)F)cc2s1 FC(F)(F)O[*:1] C[NH+](C)CCN(C(=O)C1CCCC1)c1nc2ccc(cc2s1)[*:1]
C[NH+](C)CCN(C(=O)C1CCCC1)c1nc2ccc(OC(F)(F)F)cc2s1 C1CCC(C1)[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2ccc(cc2s1)OC(F)(F)F
O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1)[*:1]
O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 Brc1ccc(cc1)[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1)c1cccc(c1)[*:1]
CSCCCCNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 CSCCCC[*:1] O=C(N[*:1])N1CCc2cc(Cl)cc(Cl)c2C1
CSCCCCNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 CSCCC[*:1] O=C(NC[*:1])N1CCc2cc(Cl)cc(Cl)c2C1
CSCCCCNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 CSCC[*:1] O=C(NCC[*:1])N1CCc2cc(Cl)cc(Cl)c2C1
CSCCCCNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 CSC[*:1] O=C(NCCC[*:1])N1CCc2cc(Cl)cc(Cl)c2C1
Cc1cccc(CNC(=O)C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)c1 Cc1cccc(c1)C[*:1] Cc1ccc(NC(=O)C(=O)N[*:1])c(c1)OC[C@@H]1CCCO1
Cc1cccc(CNC(=O)C(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)c1 Cc1cccc(c1)[*:1] Cc1ccc(NC(=O)C(=O)NC[*:1])c(c1)OC[C@@H]1CCCO1
CCC[C@H]1CN(C(=O)c2scnc2CC)CCO1 CCC[*:1] CCc1ncsc1C(=O)N1CCO[C@H](C1)[*:1]
Cc1ccc(NC(=O)C(=O)NCCOc2cccc3ccccc23)cc1C Cc1ccc(cc1C)[*:1] O=C(NCCOc1cccc2ccccc12)C(=O)N[*:1]
CN(C[C@@H](O)C1CC1)C(=O)[C@@H]1COc2ccccc21 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)[C@@H]1COc2ccccc21
CN(C[C@@H](O)C1CC1)C(=O)[C@@H]1COc2ccccc21 O[C@H](C[*:1])C1CC1 CN(C(=O)[C@@H]1COc2ccccc21)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)[C@@H]1COc2ccccc21 O[C@@H](C1CC1)[*:1] CN(C[*:1])C(=O)[C@@H]1COc2ccccc21
Cn1cc[nH+]c1[C@@H](NCC(C)(C)S(C)(=O)=O)c1cccs1 CC(C)(S(C)(=O)=O)[*:1] Cn1cc[nH+]c1[C@@H](NC[*:1])c1cccs1
Cn1cc[nH+]c1[C@@H](NCC(C)(C)S(C)(=O)=O)c1cccs1 c1csc(c1)[*:1] Cn1cc[nH+]c1[C@@H](NCC(C)(C)S(C)(=O)=O)[*:1]
Cn1cc[nH+]c1[C@@H](NCC(C)(C)S(C)(=O)=O)c1cccs1 CS(=O)(=O)[*:1] Cn1cc[nH+]c1[C@@H](NCC(C)(C)[*:1])c1cccs1
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(NNc1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(NNc1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)O[*:1]
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(OC(F)F)cc1 O=[N+]([O-])[*:1] O=C(NNc1cccc(c1)[*:1])Nc1ccc(cc1)OC(F)F
CCCN(C)c1ccc(C(=O)N(C)Cc2nnc(C3CC3)n2C)cc1 CCC[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccc(cc1)N(C)[*:1]
CCCN(C)c1ccc(C(=O)N(C)Cc2nnc(C3CC3)n2C)cc1 CCCN(C)[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccc(cc1)[*:1]
CCCN(C)c1ccc(C(=O)N(C)Cc2nnc(C3CC3)n2C)cc1 C1CC1[*:1] CCCN(C)c1ccc(cc1)C(=O)N(C)Cc1nnc(n1C)[*:1]
COc1ccc(Oc2ncnc(Nc3ccc4c(c3)OCO4)c2N)cc1 COc1ccc(cc1)[*:1] Nc1c(ncnc1O[*:1])Nc1ccc2OCOc2c1
CC(C)(CCO)CNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 CC(C)(CCO)C[*:1] O=C(N[C@H]1CC(=O)N(C1)c1ccccc1)N[*:1]
CC(C)(CCO)CNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 OCC[*:1] CC(C)(CNC(=O)N[C@H]1CC(=O)N(C1)c1ccccc1)[*:1]
CC(C)(CCO)CNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 CC(C)(CCO)[*:1] O=C(NC[*:1])N[C@H]1CC(=O)N(C1)c1ccccc1
CC(C)(CCO)CNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)(CCO)CNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
CC(C)N(C)C(=O)N[C@@H]1CCC[C@H](C)C1 CC(C)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)N(C)[*:1]
COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CCCN(C1)c1nnc(s1)N1CCCC1=O
COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 O=C1CCCN1[*:1] COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C1)c1nnc(s1)[*:1]
COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 COC(=O)c1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nnc(s1)N1CCCC1=O
CCCOC1(CNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CCCCC1 CCCO[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)NCC1(CCCCC1)[*:1]
CCCOC1(CNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CCCCC1 CCC[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)NCC1(CCCCC1)O[*:1]
COCCn1c(C)cc(C[NH+](C)Cc2ccoc2C)c1C COC[*:1] Cc1occc1C[NH+](C)Cc1cc(C)n(C[*:1])c1C
COCCn1c(C)cc(C[NH+](C)Cc2ccoc2C)c1C COCC[*:1] Cc1occc1C[NH+](C)Cc1cc(C)n(c1C)[*:1]
COCCn1c(C)cc(C[NH+](C)Cc2ccoc2C)c1C Cc1occc1[*:1] COCCn1c(C)cc(C[NH+](C)C[*:1])c1C
COCCn1c(C)cc(C[NH+](C)Cc2ccoc2C)c1C Cc1occc1C[*:1] COCCn1c(C)cc(C[NH+](C)[*:1])c1C
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\[C@H]1C=NN=C1c1ccc(C)cc1 COc1ccc(Cl)cc1[*:1] Cc1ccc(cc1)C1=NN=C[C@@H]1/C=C(/C#N)C(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\[C@H]1C=NN=C1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\[C@H]1C=NN=C1[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 CS(=O)(=O)[*:1] O=C(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1n[nH]c2ccc(cc12)[*:1]
CCC(=O)N1CCC(CC(=O)OC)CC1 COC(=O)[*:1] CCC(=O)N1CCC(CC1)C[*:1]
CCC(=O)N1CCC(CC(=O)OC)CC1 COC(=O)C[*:1] CCC(=O)N1CCC(CC1)[*:1]
O=C(NC1CCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 O=S(=O)(N1CCCC1)[*:1] O=C(NC1CCCC1)c1cc(=O)[nH]c2ccc(cc12)[*:1]
O=C(NC1CCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 C1CCC(C1)[*:1] O=C(N[*:1])c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCCC1
O=C(NC1CCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 O=C(NC1CCCC1)[*:1] O=c1cc(c2cc(ccc2[nH]1)S(=O)(=O)N1CCCC1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(C3)[*:1])sc2c1
Cc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CC[C@H]1CCCCN1C(=O)CCCl ClCC[*:1] CC[C@H]1CCCCN1C(=O)[*:1]
COC(=O)c1ccc(NCc2c[nH]c[nH+]2)c(F)c1F COC(=O)[*:1] Fc1c(ccc(c1F)[*:1])NCc1c[nH]c[nH+]1
Cc1nn2cccnc2c1C(=O)O[C@@H](c1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] Cc1nn2cccnc2c1C(=O)O[C@@H](c1cccnc1)[*:1]
Cc1nn2cccnc2c1C(=O)O[C@@H](c1ccccc1)c1cccnc1 c1cncc(c1)[*:1] Cc1nn2cccnc2c1C(=O)O[C@@H](c1ccccc1)[*:1]
CCO[C@H]1C[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)NC)c2)C12CCC2 CCO[*:1] CNS(=O)(=O)c1cc(ccc1F)C(=O)N[C@H]1C[C@@H](C12CCC2)[*:1]
CCO[C@H]1C[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)NC)c2)C12CCC2 CNS(=O)(=O)[*:1] CCO[C@H]1C[C@H](NC(=O)c2ccc(F)c(c2)[*:1])C12CCC2
CC(C)Oc1ccccc1C[NH2+]C(C)(C)C CC(C)[*:1] CC(C)(C)[NH2+]Cc1ccccc1O[*:1]
CC(C)Oc1ccccc1C[NH2+]C(C)(C)C CC(C)O[*:1] CC(C)(C)[NH2+]Cc1ccccc1[*:1]
CC(C)Oc1ccccc1C[NH2+]C(C)(C)C CC(C)(C)[*:1] CC(C)Oc1ccccc1C[NH2+][*:1]
Cc1ncc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)c(=O)[nH]1 Fc1cccc(c1)[*:1] Cc1ncc(C(=O)N2CCC(CC2)c2[nH]ncc2[*:1])c(=O)[nH]1
Cc1ncc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)c(=O)[nH]1 Cc1ncc(c(=O)[nH]1)[*:1] O=C(N1CCC(CC1)c1[nH]ncc1-c1cccc(F)c1)[*:1]
CCCNC(=O)[C@H](C)S(=O)(=O)Cc1nc(-c2ccc(C)cc2)no1 CCC[*:1] Cc1ccc(cc1)-c1noc(CS(=O)(=O)[C@@H](C)C(=O)N[*:1])n1
CCCNC(=O)[C@H](C)S(=O)(=O)Cc1nc(-c2ccc(C)cc2)no1 Cc1ccc(cc1)[*:1] CCCNC(=O)[C@H](C)S(=O)(=O)Cc1nc(no1)[*:1]
CCCNC(=O)[C@H](C)S(=O)(=O)Cc1nc(-c2ccc(C)cc2)no1 CCCNC(=O)[*:1] Cc1ccc(cc1)-c1noc(CS(=O)(=O)[C@@H](C)[*:1])n1
Fc1cc(-c2cc[nH]n2)ccc1N1CCCC1 c1cc(n[nH]1)[*:1] Fc1cc(ccc1N1CCCC1)[*:1]
Fc1cc(-c2cc[nH]n2)ccc1N1CCCC1 C1CCN(C1)[*:1] Fc1cc(ccc1[*:1])-c1cc[nH]n1
C[C@H](S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)c1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] C[C@H](S[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1C1CC1)C(=O)[*:1]
C[C@H](S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)c1ccc2c(c1)CCC2 C1CC1[*:1] C[C@H](S[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1[*:1])C(=O)c1ccc2CCCc2c1
Cc1cccc(NC(=O)N2CCC(C(=O)NCc3csc(C4CC4)n3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCc1csc(n1)C1CC1)C1CCN(CC1)C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCC(C(=O)NCc3csc(C4CC4)n3)CC2)c1 C1CC1[*:1] Cc1cccc(c1)NC(=O)N1CCC(CC1)C(=O)NCc1csc(n1)[*:1]
Cc1cccc(NC(=O)N2CCC(C(=O)NCc3csc(C4CC4)n3)CC2)c1 c1sc(nc1[*:1])C1CC1 Cc1cccc(c1)NC(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1cccc(NC(=O)N2CCC(C(=O)NCc3csc(C4CC4)n3)CC2)c1 c1sc(nc1C[*:1])C1CC1 Cc1cccc(c1)NC(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(C[C@@]2(C3CC3)CCCCC[NH2+]2)cc1F C1CC1[*:1] COc1ccc(cc1F)C[C@]1(CCCCC[NH2+]1)[*:1]
CCC[C@H](CS)CSc1ncc(C)cn1 CCC[*:1] Cc1cnc(nc1)SC[C@@H](CS)[*:1]
CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1Cl CC(C)(C)NS(=O)(=O)[*:1] N#Cc1ccc(cc1Cl)NC(=O)c1ccc(Cl)c(c1)[*:1]
CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1Cl N#Cc1ccc(cc1Cl)[*:1] CC(C)(C)NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1Cl CC(C)(C)[*:1] N#Cc1ccc(cc1Cl)NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
CC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 CC(=O)N[*:1] O=C(Nc1nc(cs1)C[NH+]1CCCCCC1)[C@H](CC1C[NH+]=c2ccccc2=1)[*:1]
O=C(Cc1ccc(F)cc1F)NCCOc1ccccc1 c1ccc(cc1)O[*:1] O=C(Cc1ccc(F)cc1F)NCC[*:1]
O=C(Cc1ccc(F)cc1F)NCCOc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1F)NCCO[*:1]
CCS(=O)(=O)CC[C@H](CBr)c1ccc(Cl)cc1 CCS(=O)(=O)[*:1] Clc1ccc(cc1)[C@@H](CBr)CC[*:1]
C[C@@H](CCC1CCCC1)NC(=O)N1CCNC(=O)CC1 C1CCC(C1)C[*:1] C[C@@H](C[*:1])NC(=O)N1CCNC(=O)CC1
C[C@@H](CCC1CCCC1)NC(=O)N1CCNC(=O)CC1 C1CCC(C1)[*:1] C[C@@H](CC[*:1])NC(=O)N1CCNC(=O)CC1
Cc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)o1 c1cnc(nc1)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
Cc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)o1 c1cnc(nc1)O[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)Oc1ncccn1)[*:1]
CC1(C)[C@H](C(=O)OCC(Cl)(Cl)Cl)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2[S@]1=O c1ccc(cc1)[*:1] CC1(C)[C@H](C(=O)OCC(Cl)(Cl)Cl)N2C(=O)[C@@H](NC(=O)C[*:1])[C@@H]2[S@]1=O
CC1(C)[C@H](C(=O)OCC(Cl)(Cl)Cl)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2[S@]1=O O=C(OCC(Cl)(Cl)Cl)[*:1] CC1(C)[C@H](N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2[S@]1=O)[*:1]
CC1(C)[C@H](C(=O)OCC(Cl)(Cl)Cl)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2[S@]1=O c1ccc(cc1)C[*:1] CC1(C)[C@H](C(=O)OCC(Cl)(Cl)Cl)N2C(=O)[C@@H](NC(=O)[*:1])[C@@H]2[S@]1=O
CC1(C)[C@H](C(=O)OCC(Cl)(Cl)Cl)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2[S@]1=O ClC(Cl)(Cl)[*:1] CC1(C)[C@H](C(=O)OC[*:1])N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2[S@]1=O
CC1(C)[C@H](C(=O)OCC(Cl)(Cl)Cl)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2[S@]1=O ClC(Cl)(Cl)C[*:1] CC1(C)[C@H](C(=O)O[*:1])N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2[S@]1=O
CC[C@](O)(COC)Cc1[nH+]c2ccccc2n1C COC[*:1] CC[C@](O)(Cc1[nH+]c2ccccc2n1C)[*:1]
Cc1noc(C)c1CCCNC(=O)N[C@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1noc(C)c1CCCNC(=O)N[C@H](C)[*:1]
Cc1noc(C)c1CCCNC(=O)N[C@H](C)c1cccc(Cl)c1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)NCCC[*:1])c1cccc(Cl)c1
CCCC[C@@H](CC)CO[C@@H]1CC[C@H]([NH3+])C1 CCCC[*:1] CC[C@@H](CO[C@@H]1CC[C@H]([NH3+])C1)[*:1]
CCCC[C@@H](CC)CO[C@@H]1CC[C@H]([NH3+])C1 CCC[*:1] CC[C@@H](CO[C@@H]1CC[C@H]([NH3+])C1)C[*:1]
NC(=O)CCCCNC(=O)Cc1ccc(Br)cc1 NC(=O)CC[*:1] O=C(Cc1ccc(Br)cc1)NCC[*:1]
NC(=O)CCCCNC(=O)Cc1ccc(Br)cc1 NC(=O)[*:1] O=C(Cc1ccc(Br)cc1)NCCCC[*:1]
NC(=O)CCCCNC(=O)Cc1ccc(Br)cc1 NC(=O)CCC[*:1] O=C(Cc1ccc(Br)cc1)NC[*:1]
NC(=O)CCCCNC(=O)Cc1ccc(Br)cc1 NC(=O)C[*:1] O=C(Cc1ccc(Br)cc1)NCCC[*:1]
CCCCC1CCC(NC(=O)Cc2ccc[nH]2)CC1 CCC[*:1] O=C(Cc1ccc[nH]1)NC1CCC(CC1)C[*:1]
CCCCC1CCC(NC(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)C[*:1] CCCCC1CCC(CC1)NC(=O)[*:1]
CCCCC1CCC(NC(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)[*:1] CCCCC1CCC(CC1)NC(=O)C[*:1]
CCCCC1CCC(NC(=O)Cc2ccc[nH]2)CC1 CCCC[*:1] O=C(Cc1ccc[nH]1)NC1CCC(CC1)[*:1]
COC(=O)[C@@]1(N2CCC[NH2+]CC2)CS[C@H](C)C1 COC(=O)[*:1] C[C@@H]1C[C@](CS1)(N1CCC[NH2+]CC1)[*:1]
COCCc1ccc(OC(=O)c2nc(SC)n3ccccc23)cc1 COC[*:1] CSc1nc(C(=O)Oc2ccc(cc2)C[*:1])c2ccccn12
COCCc1ccc(OC(=O)c2nc(SC)n3ccccc23)cc1 COCC[*:1] CSc1nc(C(=O)Oc2ccc(cc2)[*:1])c2ccccn12
CCCS(=O)(=O)N1CCN(c2c(C)n[nH]c2C)CC1 CCC[*:1] Cc1n[nH]c(C)c1N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(N2C[C@H](C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)CC2=O)c1 NC(=O)[*:1] Cc1cccc(c1)N1C[C@@H](CC1=O)C(=O)Nc1sc2C[C@H](C)CCc2c1[*:1]
Cc1cccc(N2C[C@H](C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)CC2=O)c1 Cc1cccc(c1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c2C(N)=O
Cc1nccn1-c1cncc(N[C@@H](C)c2ccccc2-n2cccn2)n1 Cc1nccn1[*:1] C[C@H](Nc1cncc(n1)[*:1])c1ccccc1-n1cccn1
Cc1nccn1-c1cncc(N[C@@H](C)c2ccccc2-n2cccn2)n1 c1cnn(c1)[*:1] Cc1nccn1-c1cncc(n1)N[C@@H](C)c1ccccc1[*:1]
Cc1nc(C(=O)NNC(=O)c2ccncc2)nn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(nn1[*:1])C(=O)NNC(=O)c1ccncc1
Cc1nc(C(=O)NNC(=O)c2ccncc2)nn1-c1ccc(F)cc1 c1cc(ccn1)[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)NNC(=O)[*:1]
COC(=O)[C@@H](C)CN(C)c1cnn(Cc2ccccc2)c(=O)c1Cl c1ccc(cc1)[*:1] COC(=O)[C@@H](C)CN(C)c1cnn(C[*:1])c(=O)c1Cl
COC(=O)[C@@H](C)CN(C)c1cnn(Cc2ccccc2)c(=O)c1Cl c1ccc(cc1)C[*:1] COC(=O)[C@@H](C)CN(C)c1cnn(c(=O)c1Cl)[*:1]
COC(=O)[C@@H](C)CN(C)c1cnn(Cc2ccccc2)c(=O)c1Cl COC(=O)[*:1] C[C@@H](CN(C)c1cnn(Cc2ccccc2)c(=O)c1Cl)[*:1]
COC(=O)[C@@H](C)CN(C)c1cnn(Cc2ccccc2)c(=O)c1Cl COC(=O)[C@@H](C)[*:1] CN(C[*:1])c1cnn(Cc2ccccc2)c(=O)c1Cl
CCC1(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)CCC1 CCC1(CCC1)[*:1] Cc1ccc(cc1NC(=O)c1ccccc1F)C(=O)NC[*:1]
CCC1(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)CCC1 CCC1(CCC1)C[*:1] Cc1ccc(cc1NC(=O)c1ccccc1F)C(=O)N[*:1]
CCC1(CNC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)CCC1 Fc1ccccc1[*:1] CCC1(CCC1)CNC(=O)c1ccc(C)c(c1)NC(=O)[*:1]
Cc1nc(C2CC2)[nH]c(=O)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1nc([nH]c(=O)c1C(=O)Nc1cccc(c1)C(=O)N[*:1])C1CC1
Cc1nc(C2CC2)[nH]c(=O)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 C1CC1[*:1] Cc1nc([nH]c(=O)c1C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
Cc1nc(C2CC2)[nH]c(=O)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] Cc1nc([nH]c(=O)c1C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)[*:1])C1CC1
COc1cc(/C=C/c2nccc(-c3cnn(C)c3)n2)cc(Cl)c1O Cn1cc(cn1)[*:1] COc1cc(/C=C/c2nccc(n2)[*:1])cc(Cl)c1O
O=c1[nH]nc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)[nH]1 O=c1[nH]nc([nH]1)[*:1] O=c1[nH]c2ccccc2n1C1CC[NH+](CC1)C[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)CCNC(=O)c2cccc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NCCC(=O)N(C)CC(=O)N[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)CCNC(=O)c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)CCNC(=O)[*:1]
O=C1CNC(=O)N1CCCS(=O)(=O)C1CCCCC1 C1CCC(CC1)[*:1] O=C1CNC(=O)N1CCCS(=O)(=O)[*:1]
COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(c2nc(C)cc(C)n2)C1 COc1ccc(Cl)cc1[*:1] Cc1cc(C)nc(n1)N1CCC[C@H](CCC(=O)N[*:1])C1
COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(c2nc(C)cc(C)n2)C1 Cc1cc(C)nc(n1)[*:1] COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C1)[*:1]
Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)CS(C)(=O)=O)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)CS(C)(=O)=O)[*:1]
Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)CS(C)(=O)=O)C(C)(C)C Cc1ccccc1[*:1] C[C@@H](CS(C)(=O)=O)NC(=O)N[C@@H](C(C)(C)C)[*:1]
Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)CS(C)(=O)=O)C(C)(C)C CS(=O)(=O)C[*:1] Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)[*:1])C(C)(C)C
Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)CS(C)(=O)=O)C(C)(C)C C[C@@H](CS(C)(=O)=O)[*:1] Cc1ccccc1[C@@H](NC(=O)N[*:1])C(C)(C)C
Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)CS(C)(=O)=O)C(C)(C)C CS(=O)(=O)[*:1] Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)C[*:1])C(C)(C)C
Nc1ccc(NC(=O)COCc2ccco2)c(Br)c1 c1coc(c1)[*:1] Nc1ccc(NC(=O)COC[*:1])c(Br)c1
Nc1ccc(NC(=O)COCc2ccco2)c(Br)c1 c1coc(c1)C[*:1] Nc1ccc(NC(=O)CO[*:1])c(Br)c1
CC(C)[C@@H](CNC(=O)Nc1ccccc1F)N1CC[NH+](C)CC1 Fc1ccccc1[*:1] CC(C)[C@@H](CNC(=O)N[*:1])N1CC[NH+](C)CC1
CC(C)[C@@H](CNC(=O)Nc1ccccc1F)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)Nc1ccccc1F)[*:1]
C/[NH+]=C(/NCc1ccnc(OC2CCCCC2)c1)N[C@@H]1C[C@H]1C C1CCC(CC1)[*:1] C/[NH+]=C(/NCc1ccnc(c1)O[*:1])N[C@@H]1C[C@H]1C
C/[NH+]=C(/NCc1ccnc(OC2CCCCC2)c1)N[C@@H]1C[C@H]1C C1CCC(CC1)O[*:1] C/[NH+]=C(/NCc1ccnc(c1)[*:1])N[C@@H]1C[C@H]1C
CCS(=O)(=O)NCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 CCS(=O)(=O)NC[*:1] O=C(NC[*:1])c1cc2cc(Cl)ccc2[nH]1
CCS(=O)(=O)NCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 CCS(=O)(=O)N[*:1] O=C(NCC[*:1])c1cc2cc(Cl)ccc2[nH]1
COc1ccccc1[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)c1csc(c1)[*:1]
CCCc1nnc(NC(=O)c2cc3occc3n2Cc2cccc(F)c2)s1 CCCc1nnc(s1)[*:1] O=C(N[*:1])c1cc2occc2n1Cc1cccc(F)c1
CCCc1nnc(NC(=O)c2cc3occc3n2Cc2cccc(F)c2)s1 CCC[*:1] O=C(Nc1nnc(s1)[*:1])c1cc2occc2n1Cc1cccc(F)c1
CCCc1nnc(NC(=O)c2cc3occc3n2Cc2cccc(F)c2)s1 Fc1cccc(c1)C[*:1] CCCc1nnc(NC(=O)c2cc3occc3n2[*:1])s1
CCCc1nnc(NC(=O)c2cc3occc3n2Cc2cccc(F)c2)s1 Fc1cccc(c1)[*:1] CCCc1nnc(NC(=O)c2cc3occc3n2C[*:1])s1
O=C(NCc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)Nc1ccc2ncccc2c1 c1cnc2ccc(cc2c1)[*:1] O=C(NCc1ccc(cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N[*:1]
Cc1ccccc1C(=O)N(CCS(=O)(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1ccccc1C(=O)N(CCS(=O)(=O)N1CC[NH2+]CC1)[*:1]
Cc1ccccc1C(=O)N(CCS(=O)(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N(CCS(=O)(=O)N1CC[NH2+]CC1)C[*:1]
Cc1ccccc1C(=O)N(CCS(=O)(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1 Cc1ccccc1[*:1] O=C(N(CCS(=O)(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1)[*:1]
COc1cccc(F)c1[C@H](C)NC[C@H](O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COc1cccc(F)c1[C@H](C)NC[C@H](O)c1cccc(c1)[*:1]
O=C1C=C(c2ccccc2)O[C@]1(c1ccccc1)[NH+]1CCOCC1 c1ccc(cc1)[*:1] O=C1C=C(O[C@]1(c1ccccc1)[NH+]1CCOCC1)[*:1]
O=C1C=C(c2ccccc2)O[C@]1(c1ccccc1)[NH+]1CCOCC1 c1ccc(cc1)[*:1] O=C1C=C(O[C@@]1([NH+]1CCOCC1)[*:1])c1ccccc1
C[C@H](NC(=O)c1cncc(Br)c1)c1ccc(-c2ccccc2)cc1 Brc1cncc(c1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-c1ccccc1
C[C@H](NC(=O)c1cncc(Br)c1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cncc(Br)c1)c1ccc(cc1)[*:1]
COc1ccc(C(=O)[C@@H](C)Cl)cc1C C[C@@H](Cl)[*:1] COc1ccc(cc1C)C(=O)[*:1]
CCC(=O)Nc1ccc(NC(=O)NCC2(CC)CC2)cc1 CCC(=O)N[*:1] CCC1(CC1)CNC(=O)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(NC(=O)NCC2(CC)CC2)cc1 CCC1(CC1)[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)NC[*:1]
CCC(=O)Nc1ccc(NC(=O)NCC2(CC)CC2)cc1 CCC1(CC1)C[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)N[*:1]
CN(CC(N)=O)C(=O)Cn1cccc1C(=O)[O-] NC(=O)C[*:1] CN(C(=O)Cn1cccc1C(=O)[O-])[*:1]
CN(CC(N)=O)C(=O)Cn1cccc1C(=O)[O-] NC(=O)[*:1] CN(C[*:1])C(=O)Cn1cccc1C(=O)[O-]
CN(CC(N)=O)C(=O)Cn1cccc1C(=O)[O-] O=C([O-])[*:1] CN(CC(N)=O)C(=O)Cn1cccc1[*:1]
CCCc1sc(C(=O)N2CCCS2(=O)=O)cc1CC CCC[*:1] CCc1cc(sc1[*:1])C(=O)N1CCCS1(=O)=O
CSc1cccc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c1 Cc1cc(C)n(C[*:1])n1 CSc1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CSc1cccc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c1 Cc1cc(C)n(n1)[*:1] CSc1cccc(c1)NC(=O)c1cccc(c1)C[*:1]
CSc1cccc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c1 CSc1cccc(c1)[*:1] Cc1cc(C)n(Cc2cccc(c2)C(=O)N[*:1])n1
C[C@@H](Sc1ccccn1)C(=O)NCCCc1nc2ccccc2[nH]1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)NCCCc1nc2ccccc2[nH]1
C[C@@H](Sc1ccccn1)C(=O)NCCCc1nc2ccccc2[nH]1 c1ccc(nc1)S[*:1] C[C@@H](C(=O)NCCCc1nc2ccccc2[nH]1)[*:1]
Fc1ccccc1-c1cc(NCC[C@@H]2CCCC[NH2+]2)n2nccc2n1 Fc1ccccc1[*:1] c1cc2nc(cc(NCC[C@@H]3CCCC[NH2+]3)n2n1)[*:1]
C/C(=C\c1ccc(Cl)cc1)C(=O)N1C[C@@H](CO)OC[C@H]1C Clc1ccc(cc1)[*:1] CC(=C[*:1])C(=O)N1C[C@@H](CO)OC[C@H]1C
COC(=O)C1CCN(c2ncnc(Nc3ccc(Cl)cc3)c2N)CC1 COC(=O)[*:1] Nc1c(ncnc1N1CCC(CC1)[*:1])Nc1ccc(Cl)cc1
COC(=O)C1CCN(c2ncnc(Nc3ccc(Cl)cc3)c2N)CC1 Clc1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)c1ncnc(N[*:1])c1N
COC(=O)C1CCN(c2ncnc(Nc3ccc(Cl)cc3)c2N)CC1 Clc1ccc(cc1)N[*:1] COC(=O)C1CCN(CC1)c1ncnc(c1N)[*:1]
Cc1nc(C)c(CC(=O)NC[C@H](C)N(C)c2ccccc2)c(=O)[nH]1 CN(c1ccccc1)[*:1] Cc1nc(C)c(CC(=O)NC[C@H](C)[*:1])c(=O)[nH]1
Cc1nc(C)c(CC(=O)NC[C@H](C)N(C)c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1nc(C)c(CC(=O)NC[C@H](C)N(C)[*:1])c(=O)[nH]1
COCCOc1c(Cl)cc(NC(=O)c2cc(C)nn2C)cc1Cl COC[*:1] Cc1cc(C(=O)Nc2cc(Cl)c(OC[*:1])c(Cl)c2)n(C)n1
COCCOc1c(Cl)cc(NC(=O)c2cc(C)nn2C)cc1Cl COCCO[*:1] Cc1cc(C(=O)Nc2cc(Cl)c(c(Cl)c2)[*:1])n(C)n1
COCCOc1c(Cl)cc(NC(=O)c2cc(C)nn2C)cc1Cl COCC[*:1] Cc1cc(C(=O)Nc2cc(Cl)c(O[*:1])c(Cl)c2)n(C)n1
COCCOc1c(Cl)cc(NC(=O)c2cc(C)nn2C)cc1Cl Cc1cc(n(C)n1)[*:1] COCCOc1c(Cl)cc(cc1Cl)NC(=O)[*:1]
C[C@](O)(CO)CCCSc1nc2ccccc2s1 C[C@](O)(CO)C[*:1] c1ccc2sc(nc2c1)SCC[*:1]
C[C@](O)(CO)CCCSc1nc2ccccc2s1 C[C@](O)(CO)[*:1] c1ccc2sc(nc2c1)SCCC[*:1]
O=C(CCc1cc(Cl)no1)N1CCC[C@@](O)(CO)C1 Clc1cc(on1)[*:1] O=C(CC[*:1])N1CCC[C@@](O)(CO)C1
Cc1noc(C)c1C(=O)N1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 Cc1noc(C)c1[*:1] Cc1c(C)n(c2ncnc(OC3CCN(CC3)C(=O)[*:1])c12)C1CCCC1
Cc1noc(C)c1C(=O)N1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 C1CCC(C1)[*:1] Cc1noc(C)c1C(=O)N1CCC(CC1)Oc1ncnc2c1c(C)c(C)n2[*:1]
CCn1cc(C(=O)N2CCC[C@H](COCc3ccccc3)C2)c(=O)c2ccc(C)nc21 c1ccc(cc1)COC[*:1] CCn1cc(C(=O)N2CCC[C@H](C2)[*:1])c(=O)c2ccc(C)nc21
CCn1cc(C(=O)N2CCC[C@H](COCc3ccccc3)C2)c(=O)c2ccc(C)nc21 c1ccc(cc1)CO[*:1] CCn1cc(C(=O)N2CCC[C@@H](C2)C[*:1])c(=O)c2ccc(C)nc21
CCn1cc(C(=O)N2CCC[C@H](COCc3ccccc3)C2)c(=O)c2ccc(C)nc21 c1ccc(cc1)C[*:1] CCn1cc(C(=O)N2CCC[C@H](CO[*:1])C2)c(=O)c2ccc(C)nc21
CCn1cc(C(=O)N2CCC[C@H](COCc3ccccc3)C2)c(=O)c2ccc(C)nc21 c1ccc(cc1)[*:1] CCn1cc(C(=O)N2CCC[C@H](COC[*:1])C2)c(=O)c2ccc(C)nc21
N#Cc1csc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1 O=C(N[*:1])C1CCCC1 N#Cc1csc(c1)C(=O)NCc1cccc(c1)[*:1]
N#Cc1csc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1 C1CCC(C1)[*:1] N#Cc1csc(c1)C(=O)NCc1cccc(c1)NC(=O)[*:1]
N#Cc1csc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1 N#Cc1csc(c1)[*:1] O=C(Nc1cccc(c1)CNC(=O)[*:1])C1CCCC1
Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2nnc(-c3cccs3)o2)o1 Cc1ccc(o1)[*:1] C[C@@H]1CCN(Cc2nnc(o2)-c2cccs2)[C@@H](C1)[*:1]
Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2nnc(-c3cccs3)o2)o1 c1csc(c1)[*:1] Cc1ccc(o1)[C@@H]1C[C@H](C)CCN1Cc1nnc(o1)[*:1]
CCSC1(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CCOCC1 CCS[*:1] O=C(NCC1(CCOCC1)[*:1])c1ccc(cc1)Nc1cc[nH+]cc1
COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 Clc1ccc(cc1Cl)[*:1] COC(=O)CCNC(=O)c1ccc(cc1)NC(=O)[*:1]
COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 COC(=O)[*:1] O=C(NCC[*:1])c1ccc(cc1)NC(=O)c1ccc(Cl)c(Cl)c1
COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 COC(=O)C[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)c1ccc(Cl)c(Cl)c1
COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 COC(=O)CC[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccc(Cl)c(Cl)c1
C[C@@H](C(N)=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 NC(=O)[*:1] C[C@@H](N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1F)[*:1]
C[C@@H](C(N)=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 C[C@@H](C(N)=O)[*:1] O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(CC1)[*:1]
CC[C@H](NC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1ccncc1 Cc1cc(no1)[*:1] CC[C@H](NC(=O)N1CCC(CC1)C(=O)N[*:1])c1ccncc1
CC[C@H](NC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cc(C)on1)[*:1]
CC[C@H](NC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1ccncc1 Cc1cc(no1)NC(=O)[*:1] CC[C@H](NC(=O)N1CCC(CC1)[*:1])c1ccncc1
C[C@@H](OC(=O)CCC(=O)Nc1nccs1)c1ccc(Cl)s1 c1csc(n1)[*:1] C[C@@H](OC(=O)CCC(=O)N[*:1])c1ccc(Cl)s1
C[C@@H](OC(=O)CCC(=O)Nc1nccs1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](OC(=O)CCC(=O)Nc1nccs1)[*:1]
CNC(=O)c1cccc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1 c1cnc(nc1)[*:1] CNC(=O)c1cccc(c1)NC(=O)NC[C@H]1CCCN(C1)[*:1]
CNC(=O)c1cccc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1 CNC(=O)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)Nc1cccc(c1)[*:1]
CN(C)S(=O)(=O)N1CCN(c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 c1cnc(nc1)[*:1] CN(C)S(=O)(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CCC[NH2+]Cc1cc(C)cc(F)c1 CCC[*:1] Cc1cc(F)cc(c1)C[NH2+][*:1]
Cc1cccc(C2=CCN(C(=O)Nc3nncs3)CC2)c1 Cc1cccc(c1)[*:1] O=C(Nc1nncs1)N1CC=C(CC1)[*:1]
Cc1cccc(C2=CCN(C(=O)Nc3nncs3)CC2)c1 c1nnc(s1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)N[*:1]
O=[N+]([O-])c1ccc2nc(O[C@@H]3CC[NH2+]C3)cnc2c1 O=[N+]([O-])[*:1] c1cc2nc(cnc2cc1[*:1])O[C@@H]1CC[NH2+]C1
Fc1ccccc1[C@@H]1Oc2ccc(Cl)cc2C2=Nc3nnnn3[C@H](c3cccnc3)[C@@H]21 c1cncc(c1)[*:1] Fc1ccccc1[C@@H]1Oc2ccc(Cl)cc2C2=Nc3nnnn3[C@H]([C@@H]21)[*:1]
Fc1ccccc1[C@@H]1Oc2ccc(Cl)cc2C2=Nc3nnnn3[C@H](c3cccnc3)[C@@H]21 Fc1ccccc1[*:1] Clc1ccc2O[C@H]([C@@H]3C(=Nc4nnnn4[C@@H]3c3cccnc3)c2c1)[*:1]
COCc1nn2c(ncc3c(=O)n(CCc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)C[*:1])c1-c1ccc(Cl)cc1
COCc1nn2c(ncc3c(=O)n(CCc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 c1ccc(cc1)[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)CC[*:1])c1-c1ccc(Cl)cc1
COCc1nn2c(ncc3c(=O)n(CCc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)CCc2ccccc2)c1[*:1]
COCc1nn2c(ncc3c(=O)n(CCc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 c1ccc(cc1)CC[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)[*:1])c1-c1ccc(Cl)cc1
COCc1nn2c(ncc3c(=O)n(CCc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 COC[*:1] O=c1c2cnc3c(-c4ccc(Cl)cc4)c(nn3c2ccn1CCc1ccccc1)[*:1]
CCn1cnnc1CNC(=O)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CCn1cnnc1CNC(=O)c1ccc(cc1)[*:1]
CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(N2C(=O)CCC2=O)c1 O=C1CCC(=O)N1[*:1] CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(c1)[*:1]
CCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[C@H](C)C2)CC1 CCNC(=O)C[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)N1CCN(CC1)[*:1]
CCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[C@H](C)C2)CC1 CCNC(=O)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)N1CCN(CC1)C[*:1]
Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1F N#Cc1ccccc1[*:1] Cc1nnnn1-c1cc(ccc1F)[N-]S(=O)(=O)[*:1]
Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1F Cc1nnnn1[*:1] N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(c1)[*:1]
C[C@H]1OCC[C@H]1c1nnnn1CC(=O)[O-] O=C([O-])C[*:1] C[C@H]1OCC[C@H]1c1nnnn1[*:1]
C[C@H]1OCC[C@H]1c1nnnn1CC(=O)[O-] O=C([O-])[*:1] C[C@H]1OCC[C@H]1c1nnnn1C[*:1]
O=C(Cc1cccs1)NCC1(N2CCOCC2)CCCCC1 c1csc(c1)[*:1] O=C(C[*:1])NCC1(CCCCC1)N1CCOCC1
O=C(Cc1cccs1)NCC1(N2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] O=C(Cc1cccs1)NCC1(CCCCC1)[*:1]
O=C(Cc1cccs1)NCC1(N2CCOCC2)CCCCC1 c1csc(c1)C[*:1] O=C(NCC1(CCCCC1)N1CCOCC1)[*:1]
C[C@H](NC(=O)/C=C/SCc1ccco1)c1ccc(Cl)cc1 c1coc(c1)C[*:1] C[C@H](NC(=O)/C=C/S[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)/C=C/SCc1ccco1)c1ccc(Cl)cc1 c1coc(c1)CS[*:1] C[C@H](NC(=O)C=C[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)/C=C/SCc1ccco1)c1ccc(Cl)cc1 c1coc(c1)[*:1] C[C@H](NC(=O)/C=C/SC[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)/C=C/SCc1ccco1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)/C=C/SCc1ccco1)[*:1]
COc1ccccc1NC(=O)C1CCC(CNC(=O)c2cnc3snnc3c2)CC1 COc1ccccc1[*:1] O=C(NCC1CCC(CC1)C(=O)N[*:1])c1cnc2snnc2c1
COCCN(CC(C)C)C(=O)C1=Cc2cc(F)ccc2OC1 CC(C)C[*:1] COCCN(C(=O)C1=Cc2cc(F)ccc2OC1)[*:1]
COCCN(CC(C)C)C(=O)C1=Cc2cc(F)ccc2OC1 COC[*:1] CC(C)CN(C[*:1])C(=O)C1=Cc2cc(F)ccc2OC1
COCCN(CC(C)C)C(=O)C1=Cc2cc(F)ccc2OC1 COCC[*:1] CC(C)CN(C(=O)C1=Cc2cc(F)ccc2OC1)[*:1]
COCCN(CC(C)C)C(=O)C1=Cc2cc(F)ccc2OC1 CC(C)[*:1] COCCN(C[*:1])C(=O)C1=Cc2cc(F)ccc2OC1
C[C@@H](NC(=O)c1ccc(-n2cncn2)nc1)c1ccc2c(c1)OCCO2 c1ncn(n1)[*:1] C[C@@H](NC(=O)c1ccc(nc1)[*:1])c1ccc2OCCOc2c1
O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2cn3cccnc3n2)c1 Clc1cccc(c1)[*:1] O=C(Nc1cccc(c1)-c1cn2cccnc2n1)N[*:1]
CC(C)CNC(=O)NCC[NH+]1CCc2sccc2C1 CC(C)[*:1] O=C(NCC[NH+]1CCc2sccc2C1)NC[*:1]
CC(C)CNC(=O)NCC[NH+]1CCc2sccc2C1 CC(C)C[*:1] O=C(NCC[NH+]1CCc2sccc2C1)N[*:1]
CC(C)(C)OC(=O)NCCCNc1cccc2[nH+]ccn12 CC(C)(C)[*:1] O=C(NCCCNc1cccc2[nH+]ccn12)O[*:1]
C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)Nc1ccc(CC#N)cc1 N#CCc1ccc(cc1)[*:1] C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)N[*:1]
C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)Nc1ccc(CC#N)cc1 Fc1ccc(c(F)c1)[*:1] C[C@H](CO[*:1])NC(=O)C(=O)Nc1ccc(cc1)CC#N
C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)Nc1ccc(CC#N)cc1 Fc1ccc(O[*:1])c(F)c1 C[C@H](C[*:1])NC(=O)C(=O)Nc1ccc(cc1)CC#N
C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N)=O NC(=O)[*:1] C[C@@H](OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[*:1]
C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N)=O FC(F)(F)[*:1] C[C@@H](OC(=O)c1cc(cc(c1)[*:1])C(F)(F)F)C(N)=O
C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N)=O C[C@@H](C(N)=O)[*:1] O=C(O[*:1])c1cc(cc(c1)C(F)(F)F)C(F)(F)F
OCC[NH2+]C1CCCCCC1 OCC[*:1] C1CCCC(CC1)[NH2+][*:1]
CC(C)(C)[C@@H]([NH3+])c1ccc(Br)o1 CC(C)(C)[*:1] [NH3+][C@@H](c1ccc(Br)o1)[*:1]
Cc1ccc(C(=O)NNC(=O)c2ccncc2Cl)s1 Cc1ccc(s1)[*:1] O=C(NNC(=O)[*:1])c1ccncc1Cl
N#C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 O=[N+]([O-])[*:1] N#C[C@@H](NC(=O)CCn1cc(cn1)[*:1])c1ccc(Cl)c(Cl)c1
N#C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] N#C[C@@H](NC(=O)CCn1cc(cn1)[N+](=O)[O-])[*:1]
N#C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 O=[N+]([O-])c1cnn(c1)[*:1] N#C[C@@H](NC(=O)CC[*:1])c1ccc(Cl)c(Cl)c1
CCOc1cc(/C=N\n2cnnc2)cc(Br)c1OCC CCO[*:1] CCOc1c(Br)cc(/C=N\n2cnnc2)cc1[*:1]
CCOc1cc(/C=N\n2cnnc2)cc(Br)c1OCC CCO[*:1] CCOc1cc(/C=N\n2cnnc2)cc(Br)c1[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(CSc1ccc(Cl)cc1)Nc1ccccc1[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 Clc1ccc(cc1)S[*:1] O=C(C[*:1])Nc1ccccc1N1CCCCC1
O=C(CSc1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 Clc1ccc(cc1)[*:1] O=C(CS[*:1])Nc1ccccc1N1CCCCC1
CSCC[C@@H](C)N(C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 CSC[*:1] C[C@H](C[*:1])N(C)C(=O)Nc1ccc(Cl)c(c1)C[S@](C)=O
CSCC[C@@H](C)N(C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 CSCC[C@@H](C)[*:1] CN(C(=O)Nc1ccc(Cl)c(c1)C[S@](C)=O)[*:1]
CSCC[C@@H](C)N(C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 C[S@](=O)C[*:1] CSCC[C@@H](C)N(C)C(=O)Nc1ccc(Cl)c(c1)[*:1]
CSCC[C@@H](C)N(C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 CSCC[*:1] C[C@@H](N(C)C(=O)Nc1ccc(Cl)c(c1)C[S@](C)=O)[*:1]
COC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O COC(=O)N[*:1] OC[C@H]1O[C@@H](O)[C@@H]([C@@H](O)[C@@H]1O)[*:1]
COc1cccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)C(=O)N[C@H](C)c1nc2ccccc2n1[*:1]
COc1cccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccccc2)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1Cc1ccccc1
COc1cccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N[C@H](C)c1nc2ccccc2n1C[*:1]
Cc1ccc(-c2nnc3sc(CCCc4ccccc4)nn3c2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc2sc(CCC[*:1])nn2c1=O
Cc1ccc(-c2nnc3sc(CCCc4ccccc4)nn3c2=O)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)-c1nnc2sc(C[*:1])nn2c1=O
Cc1ccc(-c2nnc3sc(CCCc4ccccc4)nn3c2=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1nnc2sc(CC[*:1])nn2c1=O
Cc1ccc(-c2nnc3sc(CCCc4ccccc4)nn3c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c(nnc2sc(CCCc3ccccc3)nn12)[*:1]
CC(C)c1nc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2o1 FC(F)(F)CO[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)c1cc(ccc1[N+](=O)[O-])[*:1]
CC(C)c1nc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2o1 FC(F)(F)[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)c1cc(ccc1[N+](=O)[O-])OC[*:1]
CC(C)c1nc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2o1 CC(C)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])c1cc(ccc1[N+](=O)[O-])OCC(F)(F)F
CC(C)c1nc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2o1 FC(F)(F)C[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)c1cc(ccc1[N+](=O)[O-])O[*:1]
CC(C)c1nc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc2o1 O=[N+]([O-])[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)c1cc(ccc1[*:1])OCC(F)(F)F
Cc1cnc(C(C)(C)NC(=O)CCc2c(C)noc2C)s1 Cc1noc(C)c1[*:1] Cc1cnc(s1)C(C)(C)NC(=O)CC[*:1]
Cc1cnc(C(C)(C)NC(=O)CCc2c(C)noc2C)s1 Cc1cnc(s1)[*:1] Cc1noc(C)c1CCC(=O)NC(C)(C)[*:1]
COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3ccc[nH]c3=S)c2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cc(ccc1O)S(=O)(=O)N[*:1])c1ccc[nH]c1=S
COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3ccc[nH]c3=S)c2)cc1 S=c1[nH]cccc1[*:1] COc1ccc(cc1)NS(=O)(=O)c1ccc(O)c(c1)NC(=O)[*:1]
CC(=O)c1cccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c1 O=C1CCCCN1[*:1] CC(=O)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CC(=O)c1cccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)N1CCCCC1=O
Cc1noc(C)c1COc1ccc(C(=O)OCc2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)OC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)OCc2nc3ccccc3s2)cc1 Cc1noc(C)c1[*:1] O=C(OCc1nc2ccccc2s1)c1ccc(cc1)OC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)OCc2nc3ccccc3s2)cc1 Cc1noc(C)c1C[*:1] O=C(OCc1nc2ccccc2s1)c1ccc(cc1)O[*:1]
Cc1noc(C)c1COc1ccc(C(=O)OCc2nc3ccccc3s2)cc1 Cc1noc(C)c1CO[*:1] O=C(OCc1nc2ccccc2s1)c1ccc(cc1)[*:1]
Cc1cc(-c2nnc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] CS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nnc(o1)[*:1]
Cc1cc(-c2nnc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)o2)c(C)o1 CS(=O)(=O)[*:1] Cc1cc(-c2nnc(NC(=O)Cc3ccc(cc3)[*:1])o2)c(C)o1
NC(=O)c1ccc(OCC(=O)NC[C@@H](O)c2cccc(F)c2)cc1 NC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])NC[C@@H](O)c1cccc(F)c1
NC(=O)c1ccc(OCC(=O)NC[C@@H](O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] NC(=O)c1ccc(cc1)OCC(=O)NC[C@@H](O)[*:1]
CS(=O)(=O)c1ccc(CC(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)cc1 CS(=O)(=O)[*:1] O=C(Cc1ccc(cc1)[*:1])NCCc1cc2nc(ccn2n1)-c1ccncc1
CS(=O)(=O)c1ccc(CC(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=C(C[*:1])NCCc1cc2nc(ccn2n1)-c1ccncc1
CS(=O)(=O)c1ccc(CC(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)cc1 c1cc(ccn1)[*:1] CS(=O)(=O)c1ccc(cc1)CC(=O)NCCc1cc2nc(ccn2n1)[*:1]
COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1OC c1cn(cn1)[*:1] COc1cc(F)c(cc1OC)[C@H](C)[NH2+]Cc1ccc(nc1)[*:1]
NS(=O)(=O)c1ccc(C(=O)CBr)cc1 NS(=O)(=O)[*:1] O=C(CBr)c1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(C(=O)CBr)cc1 O=C(CBr)[*:1] NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cccc(N2CCN(C(=O)C[NH2+]C3(c4noc(C)n4)CCCC3)CC2)c1 Cc1nc(no1)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)C[NH2+]C1(CCCC1)[*:1]
Cc1cccc(N2CCN(C(=O)C[NH2+]C3(c4noc(C)n4)CCCC3)CC2)c1 Cc1cccc(c1)[*:1] Cc1nc(no1)C1(CCCC1)[NH2+]CC(=O)N1CCN(CC1)[*:1]
COCC[NH+]1[C@H](C)CN(Cc2cc(Br)c(O)c(OC)c2)C[C@H]1C COC[*:1] COc1cc(cc(Br)c1O)CN1C[C@@H](C)[NH+](C[*:1])[C@H](C)C1
COCC[NH+]1[C@H](C)CN(Cc2cc(Br)c(O)c(OC)c2)C[C@H]1C COCC[*:1] COc1cc(cc(Br)c1O)CN1C[C@@H](C)[NH+]([C@H](C)C1)[*:1]
C[C@@H](CNC(=O)Nc1nnc(-c2ccccc2)s1)N1CCOCC1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)Nc1nnc(s1)[*:1])N1CCOCC1
C[C@@H](CNC(=O)Nc1nnc(-c2ccccc2)s1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)Nc1nnc(s1)-c1ccccc1)[*:1]
O=C1OC(c2ccc(Cl)cc2)=N/C1=C\Nc1ccccc1Br Brc1ccccc1[*:1] O=C1OC(=N/C1=C\N[*:1])c1ccc(Cl)cc1
O=C1OC(c2ccc(Cl)cc2)=N/C1=C\Nc1ccccc1Br Clc1ccc(cc1)[*:1] O=C1OC(=N/C1=C\Nc1ccccc1Br)[*:1]
O=C([O-])c1cc(Cl)cc(Cl)c1O O=C([O-])[*:1] Oc1c(Cl)cc(Cl)cc1[*:1]
CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 CCOC(=O)C[*:1] Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(c3ccccc32)[*:1])c(C)c1
CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 Cc1ccc(c(C)c1)[*:1] CCOC(=O)CN1C(=O)[C@](O)(CC(=O)[*:1])c2ccccc21
CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 CCOC(=O)[*:1] Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(C[*:1])c3ccccc32)c(C)c1
COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)NC[*:1])C1=O
COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1 COc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)NCc2ccco2)C1=O)[*:1]
C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)CC#N N#CC[*:1] C[C@H](c1nc(no1)-c1ccc(Cl)cc1)N(C)[*:1]
C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)CC#N CN(CC#N)[*:1] C[C@H](c1nc(no1)-c1ccc(Cl)cc1)[*:1]
Cc1nc(C)c(C#N)c(SCC(=O)N(Cc2ccccc2)c2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1nc(C)c(C#N)c(n1)SCC(=O)N(c1ccccc1)[*:1]
Cc1nc(C)c(C#N)c(SCC(=O)N(Cc2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc(C)c(C#N)c(n1)SCC(=O)N(Cc1ccccc1)[*:1]
Cc1nc(C)c(C#N)c(SCC(=O)N(Cc2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc(C)c(C#N)c(n1)SCC(=O)N(C[*:1])c1ccccc1
Cc1cc([C@](C)(O)CNC(=O)N[C@H]2CCCn3c(C)nnc32)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)NC[C@](C)(O)[*:1]
CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1 CCO[*:1] Cc1cccc(c1)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1[*:1]
O=C([O-])CN(CC(=O)NCc1ccccc1)c1ccccc1 O=C([O-])[*:1] O=C(CN(C[*:1])c1ccccc1)NCc1ccccc1
O=C([O-])CN(CC(=O)NCc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] O=C([O-])CN(CC(=O)N[*:1])c1ccccc1
O=C([O-])CN(CC(=O)NCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CN(CC(=O)NC[*:1])c1ccccc1
O=C([O-])CN(CC(=O)NCc1ccccc1)c1ccccc1 O=C([O-])C[*:1] O=C(CN(c1ccccc1)[*:1])NCc1ccccc1
O=C([O-])CN(CC(=O)NCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CN(CC(=O)NCc1ccccc1)[*:1]
Cn1nccc1CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] Cn1nccc1CN1CCO[C@H](C1)c1cccc(c1)[*:1]
Cn1nccc1CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 Cn1nccc1C[*:1] FC(F)(F)c1cccc(c1)[C@H]1CN(CCO1)[*:1]
Cn1nccc1CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 Cn1nccc1[*:1] FC(F)(F)c1cccc(c1)[C@H]1CN(CCO1)C[*:1]
CCC[NH+]1CCCn2nc(CNC(=O)c3ccc4scnc4c3)cc2C1 CCC[*:1] O=C(NCc1cc2C[NH+](CCCn2n1)[*:1])c1ccc2scnc2c1
CCCN[C@@]1(C#N)CC[C@H](SC2CCCCC2)C1 CCC[*:1] N#C[C@@]1(CC[C@@H](C1)SC1CCCCC1)N[*:1]
CCCN[C@@]1(C#N)CC[C@H](SC2CCCCC2)C1 CCCN[*:1] N#C[C@]1(CC[C@@H](C1)SC1CCCCC1)[*:1]
CCCN[C@@]1(C#N)CC[C@H](SC2CCCCC2)C1 C1CCC(CC1)[*:1] CCCN[C@@]1(C#N)CC[C@@H](C1)S[*:1]
Cc1cc(CNC2=[NH+][C@@H](C(C)C)CS2)on1 CC(C)[*:1] Cc1cc(CNC2=[NH+][C@@H](CS2)[*:1])on1
CNC(=O)COc1ccc(CNC(=O)N2CCCCCC2)cc1 CNC(=O)[*:1] O=C(NCc1ccc(cc1)OC[*:1])N1CCCCCC1
CNC(=O)COc1ccc(CNC(=O)N2CCCCCC2)cc1 CNC(=O)C[*:1] O=C(NCc1ccc(cc1)O[*:1])N1CCCCCC1
CNC(=O)COc1ccc(CNC(=O)N2CCCCCC2)cc1 CNC(=O)CO[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCCCCC1
C[C@H]1CCCCN1C(=O)Cc1ccc(-c2nn3cnnc3s2)cc1Cl c1nnc2sc(nn12)[*:1] C[C@H]1CCCCN1C(=O)Cc1ccc(cc1Cl)[*:1]
O=C1N=C2NC3=C(C(=O)CCC3)[C@@H](c3ccc(OC(F)F)cc3)[C@H]2C(=O)N1 FC(F)[*:1] O=C1N=C2NC3CCCC(=O)C=3[C@@H](c3ccc(cc3)O[*:1])[C@H]2C(=O)N1
O=C1N=C2NC3=C(C(=O)CCC3)[C@@H](c3ccc(OC(F)F)cc3)[C@H]2C(=O)N1 FC(F)O[*:1] O=C1N=C2NC3CCCC(=O)C=3[C@@H](c3ccc(cc3)[*:1])[C@H]2C(=O)N1
Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3c(C)cccc3[N+](=O)[O-])n2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1NC(=O)[C@H](C)n1nc(ccc1=O)[*:1])[N+](=O)[O-]
Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3c(C)cccc3[N+](=O)[O-])n2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1ccc(=O)n(n1)[C@@H](C)C(=O)Nc1c(C)cccc1[*:1]
C[C@H]1CC(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C[C@H](C)O1 O=C(N1CCCCC1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1ccc(cc1)[*:1]
CC(C)=CC(=O)OCCc1c(C)n[nH]c1C CC(C)=C[*:1] Cc1n[nH]c(C)c1CCOC(=O)[*:1]
Cc1cc(NC(C)C)n2ncc(-c3ccc(F)cc3)c2n1 Fc1ccc(cc1)[*:1] Cc1cc(NC(C)C)n2ncc(c2n1)[*:1]
Cc1cc(NC(C)C)n2ncc(-c3ccc(F)cc3)c2n1 CC(C)[*:1] Cc1cc(N[*:1])n2ncc(-c3ccc(F)cc3)c2n1
Cc1cc(NC(C)C)n2ncc(-c3ccc(F)cc3)c2n1 CC(C)N[*:1] Cc1cc(n2ncc(-c3ccc(F)cc3)c2n1)[*:1]
CN(C)C(=O)N(C)Cc1cccc(C#CC[NH3+])c1 [NH3+]CC#C[*:1] CN(C)C(=O)N(C)Cc1cccc(c1)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2Cl)cc1C Clc1ccccc1O[*:1] Cc1ccc(cc1C)NC(=O)C(=O)NC[C@@H](C)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2Cl)cc1C Clc1ccccc1[*:1] Cc1ccc(cc1C)NC(=O)C(=O)NC[C@@H](C)O[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2Cl)cc1C Cc1ccc(cc1C)[*:1] C[C@H](CNC(=O)C(=O)N[*:1])Oc1ccccc1Cl
Cc1ccc(C)c(NC(=O)C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)NC(=O)[*:1]
N#CCOc1cccc(N2C(=O)CCCC2=O)c1 N#CC[*:1] O=C1CCCC(=O)N1c1cccc(c1)O[*:1]
N#CCOc1cccc(N2C(=O)CCCC2=O)c1 N#CCO[*:1] O=C1CCCC(=O)N1c1cccc(c1)[*:1]
C[C@H](CNS(=O)(=O)c1cc(C(=O)N2CCCC2)cs1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNS(=O)(=O)c1cc(cs1)C(=O)N1CCCC1)[*:1]
C[C@H](CNS(=O)(=O)c1cc(C(=O)N2CCCC2)cs1)c1ccccc1 O=C(N1CCCC1)[*:1] C[C@H](CNS(=O)(=O)c1cc(cs1)[*:1])c1ccccc1
C[C@H](CNS(=O)(=O)c1cc(C(=O)N2CCCC2)cs1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(c1csc(c1)S(=O)(=O)NC[*:1])N1CCCC1
CC(C)=C[C@H]1[C@@H](C(=O)NC2(C(N)=O)CCCC2)C1(C)C CC(C)=C[*:1] CC1(C)[C@H]([C@H]1C(=O)NC1(CCCC1)C(N)=O)[*:1]
CC(C)=C[C@H]1[C@@H](C(=O)NC2(C(N)=O)CCCC2)C1(C)C NC(=O)[*:1] CC(C)=C[C@H]1[C@@H](C(=O)NC2(CCCC2)[*:1])C1(C)C
CN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)c1ccccc1 CN(C[*:1])c1ccccc1 CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[*:1]
CN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)c1ccccc1 CN(C)S(=O)(=O)[*:1] CN(CC(=O)N1CCCc2cc(ccc21)[*:1])c1ccccc1
CN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)c1ccccc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN(C)[*:1]
CN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)c1ccccc1 CN(c1ccccc1)[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[*:1]
CN(CCc1ccc(Br)cc1)C(=O)c1scnc1C1CC1 Brc1ccc(cc1)[*:1] CN(CC[*:1])C(=O)c1scnc1C1CC1
CN(CCc1ccc(Br)cc1)C(=O)c1scnc1C1CC1 C1CC1[*:1] CN(CCc1ccc(Br)cc1)C(=O)c1scnc1[*:1]
CCOC(=O)c1cc(=O)[nH]c2nn(CC(F)F)cc12 FC(F)C[*:1] CCOC(=O)c1cc(=O)[nH]c2nn(cc12)[*:1]
CCOC(=O)c1cc(=O)[nH]c2nn(CC(F)F)cc12 CCOC(=O)[*:1] O=c1cc(c2cn(CC(F)F)nc2[nH]1)[*:1]
CCOC(=O)c1cc(=O)[nH]c2nn(CC(F)F)cc12 FC(F)[*:1] CCOC(=O)c1cc(=O)[nH]c2nn(cc12)C[*:1]
COc1ccc(NC(=O)C(=O)N[C@H](c2ccccn2)C(C)C)cc1Cl CC(C)[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)N[C@H](c1ccccn1)[*:1]
COc1ccc(NC(=O)C(=O)N[C@H](c2ccccn2)C(C)C)cc1Cl c1ccc(nc1)[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)N[C@H](C(C)C)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)NCc2ncc(-c3ccccc3)o2)cc1 CC(C)[*:1] O=C(NCc1ncc(o1)-c1ccccc1)c1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)NCc2ncc(-c3ccccc3)o2)cc1 CC(C)C(=O)N[*:1] O=C(NCc1ncc(o1)-c1ccccc1)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)NCc2ncc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NCc1ncc(o1)[*:1]
O=C(CCc1ccccc1)N1CCOc2ncccc21 c1ccc(cc1)[*:1] O=C(CC[*:1])N1CCOc2ncccc21
C/[NH+]=C(/NCc1ccnc(-n2ccnc2)c1)NCc1ccccc1Cl c1cn(cn1)[*:1] C/[NH+]=C(/NCc1ccnc(c1)[*:1])NCc1ccccc1Cl
C/[NH+]=C(/NCc1ccnc(-n2ccnc2)c1)NCc1ccccc1Cl Clc1ccccc1C[*:1] C/[NH+]=C(/NCc1ccnc(c1)-n1ccnc1)N[*:1]
C/[NH+]=C(/NCc1ccnc(-n2ccnc2)c1)NCc1ccccc1Cl Clc1ccccc1[*:1] C/[NH+]=C(/NCc1ccnc(c1)-n1ccnc1)NC[*:1]
O=c1[nH]c(SCc2ccccn2)nc2c1cnn2Cc1ccccc1 c1ccc(nc1)[*:1] O=c1[nH]c(nc2c1cnn2Cc1ccccc1)SC[*:1]
O=c1[nH]c(SCc2ccccn2)nc2c1cnn2Cc1ccccc1 c1ccc(cc1)C[*:1] O=c1[nH]c(nc2c1cnn2[*:1])SCc1ccccn1
O=c1[nH]c(SCc2ccccn2)nc2c1cnn2Cc1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]c(nc2c1cnn2C[*:1])SCc1ccccn1
O=c1[nH]c(SCc2ccccn2)nc2c1cnn2Cc1ccccc1 c1ccc(CS[*:1])nc1 O=c1[nH]c(nc2c1cnn2Cc1ccccc1)[*:1]
O=c1[nH]c(SCc2ccccn2)nc2c1cnn2Cc1ccccc1 c1ccc(C[*:1])nc1 O=c1[nH]c(nc2c1cnn2Cc1ccccc1)S[*:1]
CC(C)(C)CC(=O)CCn1nnc2ccccc21 CC(C)(C)C[*:1] O=C(CCn1nnc2ccccc21)[*:1]
CC(C)(C)CC(=O)CCn1nnc2ccccc21 CC(C)(C)[*:1] O=C(CCn1nnc2ccccc21)C[*:1]
C=CCOc1c(CN2CCN(c3ccnc(N(C)C)n3)CC2)c(C)nn1C C=CC[*:1] Cc1nn(C)c(O[*:1])c1CN1CCN(CC1)c1ccnc(n1)N(C)C
C=CCOc1c(CN2CCN(c3ccnc(N(C)C)n3)CC2)c(C)nn1C CN(C)c1nccc(n1)[*:1] C=CCOc1c(CN2CCN(CC2)[*:1])c(C)nn1C
C=CCOc1c(CN2CCN(c3ccnc(N(C)C)n3)CC2)c(C)nn1C CN(C)[*:1] C=CCOc1c(CN2CCN(CC2)c2ccnc(n2)[*:1])c(C)nn1C
C=CCOc1c(CN2CCN(c3ccnc(N(C)C)n3)CC2)c(C)nn1C C=CCO[*:1] Cc1nn(C)c(c1CN1CCN(CC1)c1ccnc(n1)N(C)C)[*:1]
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1C[C@@H](C)O[C@H](C)C1 Fc1ccc(cc1)[*:1] CCN(CC(=O)NC[*:1])C(=O)C1C[C@@H](C)O[C@H](C)C1
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1C[C@@H](C)O[C@H](C)C1 Fc1ccc(cc1)C[*:1] CCN(CC(=O)N[*:1])C(=O)C1C[C@@H](C)O[C@H](C)C1
CCN(C(=O)N(CC)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)N(CC)[*:1])c1ccccc1
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(COc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(cc1)CO[*:1]
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(COc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(cc1)C[*:1]
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(COc2ccccc2)cc1 c1ccc(cc1)OC[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)N(CC#N)C1CCCC1 N#CC[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N(C1CCCC1)[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)N(CC#N)C1CCCC1 C1CCC(C1)[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N(CC#N)[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)N(CC#N)C1CCCC1 Fc1cccc(c1)[*:1] C[C@@H](CC[*:1])C(=O)N(CC#N)C1CCCC1
O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1C[C@H]2CCCC[C@H]2C1 c1ccc(cc1)[*:1] O=C(N[C@@H]1C[C@H]1[*:1])N1C[C@H]2CCCC[C@H]2C1
Cc1cnc([C@H](C)NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O)[*:1]
Cc1cnc([C@H](C)NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)s1 Fc1ccc(cc1)C[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NC[C@H](C(N)=O)[*:1]
Cc1cnc([C@H](C)NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)s1 Fc1ccc(cc1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NC[C@H](C[*:1])C(N)=O
Cc1cnc([C@H](C)NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)s1 NC(=O)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NC[C@H](Cc1ccc(F)cc1)[*:1]
CCc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 CCc1ccc(cc1)[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)NS(=O)(=O)[*:1]
CCc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 CNS(=O)(=O)[*:1] CCc1ccc(cc1)S(=O)(=O)N[C@@H](C)c1cccc(c1)[*:1]
CC(=O)Nc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)ccc1F C1CN(CCO1)[*:1] CC(=O)Nc1cc(ccc1F)C(=O)NC[C@@H](c1ccccc1Cl)[*:1]
CC(=O)Nc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)ccc1F CC(=O)N[*:1] O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(F)c(c1)[*:1]
CC(=O)Nc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)ccc1F Clc1ccccc1[*:1] CC(=O)Nc1cc(ccc1F)C(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1ncc([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)s1 C[C@@H](O)[*:1] Cc1ncc(s1)[C@H](C)[NH2+]C[C@@H](C)C[*:1]
Cc1ncc([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)s1 C[C@@H](O)C[*:1] Cc1ncc(s1)[C@H](C)[NH2+]C[C@@H](C)[*:1]
Cc1cccc(NC(=O)c2ccc(F)cc2Cl)c1C(=O)N1CCCC1 Fc1ccc(c(Cl)c1)[*:1] Cc1cccc(NC(=O)[*:1])c1C(=O)N1CCCC1
Cc1cccc(NC(=O)c2ccc(F)cc2Cl)c1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1cccc(NC(=O)c2ccc(F)cc2Cl)c1[*:1]
O[C@@H](C[C@H]1COCCN1C/C=C/c1ccco1)c1ccco1 c1coc(c1)[*:1] O[C@@H](C[C@H]1COCCN1CC=C[*:1])c1ccco1
O[C@@H](C[C@H]1COCCN1C/C=C/c1ccco1)c1ccco1 c1coc(c1)[*:1] O[C@@H](C[C@H]1COCCN1C/C=C/c1ccco1)[*:1]
O[C@@H](C[C@H]1COCCN1C/C=C/c1ccco1)c1ccco1 C(=C[*:1])c1ccco1 O[C@@H](C[C@H]1COCCN1C[*:1])c1ccco1
O[C@@H](C[C@H]1COCCN1C/C=C/c1ccco1)c1ccco1 O[C@@H](c1ccco1)[*:1] C(=C/c1ccco1)\CN1CCOC[C@@H]1C[*:1]
O=c1ccc([N+](=O)[O-])cn1C[C@H]1CCCO1 O=[N+]([O-])[*:1] O=c1ccc(cn1C[C@H]1CCCO1)[*:1]
O=c1ccc([N+](=O)[O-])cn1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=c1ccc(cn1C[*:1])[N+](=O)[O-]
CC(C)C[NH2+]C[C@@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CC(C)C[NH2+]C[C@@H](c1ccc(F)cc1)[*:1]
CC(C)C[NH2+]C[C@@H](c1ccccc1)c1ccc(F)cc1 CC(C)[*:1] Fc1ccc(cc1)[C@@H](C[NH2+]C[*:1])c1ccccc1
O=C1CCCN1c1cccc(NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] O=C1CCCN1c1cccc(c1)NS(=O)(=O)Cc1ccc(cc1)[*:1]
O=C1CCCN1c1cccc(NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1 O=C1CCCN1[*:1] O=S(=O)(Cc1ccc(cc1)C(F)(F)F)Nc1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
CN(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 CN(C)C(=O)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)[*:1]
CC(C)OCc1cccc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)c1 OC1CCN(CC1)[*:1] CC(C)OCc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CC(C)OCc1cccc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)c1 CC(C)O[*:1] O=C(Nc1cccc(c1)C[*:1])c1ccc(cc1)N1CCC(O)CC1
CC(C)OCc1cccc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)CO[*:1])c1ccc(cc1)N1CCC(O)CC1
CC(C)OCc1cccc(NC(=O)c2ccc(N3CCC(O)CC3)cc2)c1 CC(C)OC[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)N1CCC(O)CC1
O=C(NNc1ccnc2ccccc12)c1cccc(OC2CCCC2)c1 C1CCC(C1)[*:1] O=C(NNc1ccnc2ccccc12)c1cccc(c1)O[*:1]
O=C(NNc1ccnc2ccccc12)c1cccc(OC2CCCC2)c1 C1CCC(C1)O[*:1] O=C(NNc1ccnc2ccccc12)c1cccc(c1)[*:1]
CC(C)=C[C@@H](O)C1CCCCCC1 CC(C)=C[*:1] O[C@@H](C1CCCCCC1)[*:1]
Cc1cccc(NC(=O)/C(=C\c2ccc(C)o2)NC(=O)c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)C(=O)N/C(=C/c1ccc(C)o1)C(=O)N[*:1]
Cc1cccc(NC(=O)/C(=C\c2ccc(C)o2)NC(=O)c2cccc(C)c2)c1 Cc1ccc(o1)[*:1] Cc1cccc(c1)NC(=O)C(=C[*:1])NC(=O)c1cccc(C)c1
Cc1cccc(NC(=O)/C(=C\c2ccc(C)o2)NC(=O)c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)/C(=C\c1ccc(C)o1)NC(=O)[*:1]
COc1ccnc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)c1 COc1ccnc(c1)[*:1] O=C(CC[C@H]1Cc2ccccc2NC1=O)N[*:1]
CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1N1CCCC1=O O=C1CCCN1[*:1] CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1[*:1]
O=C(O[C@H]1CCc2ccc(Cl)cc21)[C@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] O=C(O[C@H]1CCc2ccc(Cl)cc21)[C@H]1CC(=O)N(C1)C[*:1]
O=C(O[C@H]1CCc2ccc(Cl)cc21)[C@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] O=C(O[C@H]1CCc2ccc(Cl)cc21)[C@H]1CC(=O)N(C1)[*:1]
CN(C(=O)CN1C(=O)CSc2ccccc21)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CN(C(=O)CN1C(=O)CSc2ccccc21)[*:1]
C#CCN(CC#C)C(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC C#CC[*:1] C#CCN(C(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC)[*:1]
CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2OC)cc1 CCNC(=O)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2OC)cc1 COc1ccccc1[*:1] CCNC(=O)c1ccc(cc1)NC(=O)N1CCC[C@@H]1[*:1]
O=C([O-])C[C@@H]1COCCN1C(=O)c1csc(Cc2ccccc2)n1 O=C([O-])C[*:1] O=C(c1csc(Cc2ccccc2)n1)N1CCOC[C@H]1[*:1]
O=C([O-])C[C@@H]1COCCN1C(=O)c1csc(Cc2ccccc2)n1 O=C([O-])[*:1] O=C(c1csc(Cc2ccccc2)n1)N1CCOC[C@H]1C[*:1]
O=C([O-])C[C@@H]1COCCN1C(=O)c1csc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C([O-])C[C@@H]1COCCN1C(=O)c1csc(n1)[*:1]
O=C([O-])C[C@@H]1COCCN1C(=O)c1csc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C([O-])C[C@@H]1COCCN1C(=O)c1csc(C[*:1])n1
Fc1cccc(-c2nc(-c3cccnc3)n[nH]2)c1 c1cncc(c1)[*:1] Fc1cccc(c1)-c1nc(n[nH]1)[*:1]
COc1ccccc1OC[C@H]1CN(C(=O)c2cccc(C#N)c2)CCO1 COc1ccccc1[*:1] N#Cc1cccc(c1)C(=O)N1CCO[C@@H](CO[*:1])C1
COc1ccccc1OC[C@H]1CN(C(=O)c2cccc(C#N)c2)CCO1 N#Cc1cccc(c1)[*:1] COc1ccccc1OC[C@H]1CN(CCO1)C(=O)[*:1]
CC(C)(C)OC(=O)NC1(c2ccccn2)CC1 CC(C)(C)[*:1] O=C(NC1(CC1)c1ccccn1)O[*:1]
COc1cccc([C@@H](C)CC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)C[C@H](C)[*:1])C(=O)N1CCCCC1
COc1cccc([C@@H](C)CC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)N[C@@H](C)[*:1]
CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@@H]2CCOC(C)(C)C2)C3)c1 CC(=O)c1ccc(F)c(c1)[*:1] Cc1cc2C[C@H](CNC(=O)[C@@H]3CCOC(C)(C)C3)Oc2c(c1)[*:1]
CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@@H]2CCOC(C)(C)C2)C3)c1 CC(=O)[*:1] Cc1cc2C[C@H](CNC(=O)[C@@H]3CCOC(C)(C)C3)Oc2c(c1)-c1cc(ccc1F)[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)CC(=O)N[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 CC(=O)[*:1] O=C(CN1CCN(CC1)c1ccc(cc1)[*:1])Nc1ccc(F)cc1
CC(C)C[C@H](C[NH2+]C1CC1)c1cccc(Br)c1 CC(C)C[*:1] Brc1cccc(c1)[C@@H](C[NH2+]C1CC1)[*:1]
CC(C)C[C@H](C[NH2+]C1CC1)c1cccc(Br)c1 CC(C)[*:1] Brc1cccc(c1)[C@@H](C[NH2+]C1CC1)C[*:1]
CC(C)C[C@H](C[NH2+]C1CC1)c1cccc(Br)c1 C1CC1[*:1] CC(C)C[C@H](C[NH2+][*:1])c1cccc(Br)c1
COc1ccc(-c2csc(NC(=O)Cc3ccc(C)cc3)n2)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(-c2csc(n2)NC(=O)C[*:1])c(c1)OC
COc1ccc(-c2csc(NC(=O)Cc3ccc(C)cc3)n2)c(OC)c1 Cc1ccc(cc1)C[*:1] COc1ccc(-c2csc(n2)NC(=O)[*:1])c(c1)OC
C#CCOCC1CCN(C(=O)Cc2noc3ccccc23)CC1 C#CC[*:1] O=C(Cc1noc2ccccc12)N1CCC(CC1)CO[*:1]
C#CCOCC1CCN(C(=O)Cc2noc3ccccc23)CC1 C#CCOC[*:1] O=C(Cc1noc2ccccc12)N1CCC(CC1)[*:1]
C#CCOCC1CCN(C(=O)Cc2noc3ccccc23)CC1 C#CCO[*:1] O=C(Cc1noc2ccccc12)N1CCC(CC1)C[*:1]
O=S(=O)(CC1CCCCC1)/N=C(\[O-])[C@@H]1C[C@H]2CC[C@@H]1O2 C1CCC(CC1)[*:1] O=S(=O)(C[*:1])/N=C(\[O-])[C@@H]1C[C@H]2CC[C@@H]1O2
O=C(NCCc1csc(-c2ccccc2)n1)[C@H]1CCCN1C(=O)C1CCCC1 C1CCC(C1)[*:1] O=C(NCCc1csc(n1)-c1ccccc1)[C@H]1CCCN1C(=O)[*:1]
O=C(NCCc1csc(-c2ccccc2)n1)[C@H]1CCCN1C(=O)C1CCCC1 c1ccc(cc1)[*:1] O=C(NCCc1csc(n1)[*:1])[C@H]1CCCN1C(=O)C1CCCC1
COc1cccc(OCC(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])c1 COc1cccc(c1)[*:1] Cc1cc(C)c(OC(=O)CO[*:1])c(c1)[N+](=O)[O-]
COc1cccc(OCC(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cccc(c1)OCC(=O)Oc1c(C)cc(C)cc1[*:1]
Cc1nc(S(=O)(=O)N2CCN([C@@H]3CCCC[C@H]3O)CC2)cn1C Cc1nc(cn1C)[*:1] O=S(=O)(N1CCN(CC1)[C@@H]1CCCC[C@H]1O)[*:1]
Cc1nc(S(=O)(=O)N2CCN([C@@H]3CCCC[C@H]3O)CC2)cn1C O[C@@H]1CCCC[C@H]1[*:1] Cc1nc(cn1C)S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)c1cc(C(=O)NC[C@](C)(O)c2cccs2)c2ccccc2n1 CC(C)[*:1] C[C@](O)(CNC(=O)c1cc(nc2ccccc12)[*:1])c1cccs1
CC(C)c1cc(C(=O)NC[C@](C)(O)c2cccs2)c2ccccc2n1 c1csc(c1)[*:1] CC(C)c1cc(C(=O)NC[C@](C)(O)[*:1])c2ccccc2n1
COc1ccc(O)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 COc1ccc(O)c(c1)[*:1] O=C(NCc1ccc(o1)-c1nc2ccccc2s1)[*:1]
COc1ccc(O)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 c1ccc2sc(nc2c1)[*:1] COc1ccc(O)c(c1)C(=O)NCc1ccc(o1)[*:1]
CCOC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)Cn2ccc(C)n2)CCO3)CC1 Cc1ccn(n1)[*:1] CCOC(=O)N1CCN(CC1)Cc1ccc2OCCN(Cc2c1)C(=O)C[*:1]
CCOC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)Cn2ccc(C)n2)CCO3)CC1 Cc1ccn(C[*:1])n1 CCOC(=O)N1CCN(CC1)Cc1ccc2OCCN(Cc2c1)C(=O)[*:1]
CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCCCOC)CCCC3 COCC[*:1] CC[C@H]1c2cccn2-c2sc3CCCCc3c2CN1C(=O)NC[*:1]
CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCCCOC)CCCC3 COCCC[*:1] CC[C@H]1c2cccn2-c2sc3CCCCc3c2CN1C(=O)N[*:1]
CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)NCCCOC)CCCC3 COC[*:1] CC[C@H]1c2cccn2-c2sc3CCCCc3c2CN1C(=O)NCC[*:1]
CN(Cc1ccccc1Br)C(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CN(Cc1ccccc1Br)C(=O)N[C@H]1C=C[C@H](C1)[*:1]
CN(Cc1ccccc1Br)C(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 Brc1ccccc1[*:1] CN(C[*:1])C(=O)N[C@H]1C=C[C@@H](C1)C(=O)[O-]
O=C(Cc1csc(-c2ccccc2Cl)n1)NCC1(N2CCOCC2)CCCCC1 Clc1ccccc1[*:1] O=C(Cc1csc(n1)[*:1])NCC1(CCCCC1)N1CCOCC1
O=C(Cc1csc(-c2ccccc2Cl)n1)NCC1(N2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] O=C(Cc1csc(n1)-c1ccccc1Cl)NCC1(CCCCC1)[*:1]
CC[C@]1(c2ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc2)CCC(=O)NC1=O C[C@@H](OCC(F)(F)F)[*:1] CC[C@@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@]1(c2ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc2)CCC(=O)NC1=O FC(F)(F)[*:1] CC[C@@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)[C@@H](C)OC[*:1]
CC[C@]1(c2ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc2)CCC(=O)NC1=O FC(F)(F)C[*:1] CC[C@@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)[C@@H](C)O[*:1]
CC[C@]1(c2ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc2)CCC(=O)NC1=O FC(F)(F)CO[*:1] CC[C@@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)[C@@H](C)[*:1]
C[C@H]1C=NN(Cc2ccccc2Cl)[C@@H]1NC(=O)c1ncn[nH]1 Clc1ccccc1[*:1] C[C@H]1C=NN(C[*:1])[C@@H]1NC(=O)c1ncn[nH]1
C[C@H]1C=NN(Cc2ccccc2Cl)[C@@H]1NC(=O)c1ncn[nH]1 c1n[nH]c(n1)[*:1] C[C@H]1C=NN(Cc2ccccc2Cl)[C@@H]1NC(=O)[*:1]
N#CCCCN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 N#CCC[*:1] O=C(c1cc(Cl)ccc1F)N1CCN(CC1)C[*:1]
N#CCCCN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 N#CCCC[*:1] O=C(c1cc(Cl)ccc1F)N1CCN(CC1)[*:1]
N#CCCCN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 N#CC[*:1] O=C(c1cc(Cl)ccc1F)N1CCN(CC1)CC[*:1]
Cc1oc(-c2ccccc2)nc1Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O Fc1ccc(cc1)N[*:1] Cc1oc(nc1Cn1nc2nc(ccn2c1=O)[*:1])-c1ccccc1
Cc1oc(-c2ccccc2)nc1Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O Fc1ccc(cc1)[*:1] Cc1oc(nc1Cn1nc2nc(ccn2c1=O)N[*:1])-c1ccccc1
Cc1oc(-c2ccccc2)nc1Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O c1ccc(cc1)[*:1] Cc1oc(nc1Cn1nc2nc(ccn2c1=O)Nc1ccc(F)cc1)[*:1]
CCc1ccc(CN2CC[NH+](Cc3ccc([S@](C)=O)cc3)CC2)s1 CCc1ccc(C[*:1])s1 C[S@](=O)c1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
CCc1ccc(CN2CC[NH+](Cc3ccc([S@](C)=O)cc3)CC2)s1 CCc1ccc(s1)[*:1] C[S@](=O)c1ccc(cc1)C[NH+]1CCN(CC1)C[*:1]
CCc1ccc(CN2CC[NH+](Cc3ccc([S@](C)=O)cc3)CC2)s1 C[S@](=O)[*:1] CCc1ccc(CN2CC[NH+](CC2)Cc2ccc(cc2)[*:1])s1
Cc1ccc(CCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)CC[*:1])c1ccccc1
Cc1ccc(CCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CCC(=O)N[C@H](C(N)=O)[*:1]
Cc1ccc(CCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1 NC(=O)[*:1] Cc1ccc(cc1)CCC(=O)N[C@H](c1ccccc1)[*:1]
CCc1nnc([C@@H](C)N2CCN(c3ccc(C#N)cc3F)CC2)o1 CCc1nnc(o1)[*:1] C[C@@H](N1CCN(CC1)c1ccc(C#N)cc1F)[*:1]
Cn1cnc(CNC(=O)[C@H](Sc2ccccc2F)c2ccccc2)n1 Fc1ccccc1S[*:1] Cn1cnc(CNC(=O)[C@H](c2ccccc2)[*:1])n1
Cn1cnc(CNC(=O)[C@H](Sc2ccccc2F)c2ccccc2)n1 Cn1cnc(C[*:1])n1 O=C(N[*:1])[C@H](Sc1ccccc1F)c1ccccc1
Cn1cnc(CNC(=O)[C@H](Sc2ccccc2F)c2ccccc2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])[C@H](Sc1ccccc1F)c1ccccc1
Cn1cnc(CNC(=O)[C@H](Sc2ccccc2F)c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cnc(CNC(=O)[C@H](Sc2ccccc2F)[*:1])n1
Cn1cnc(CNC(=O)[C@H](Sc2ccccc2F)c2ccccc2)n1 Fc1ccccc1[*:1] Cn1cnc(CNC(=O)[C@H](S[*:1])c2ccccc2)n1
CC[C@H](C)CN(CC)c1[nH+]c(C(=O)[O-])cc2ccccc12 CC[C@H](C)C[*:1] CCN(c1[nH+]c(cc2ccccc12)C(=O)[O-])[*:1]
CC[C@H](C)CN(CC)c1[nH+]c(C(=O)[O-])cc2ccccc12 CC[C@H](C)[*:1] CCN(C[*:1])c1[nH+]c(cc2ccccc12)C(=O)[O-]
CC[C@H](C)CN(CC)c1[nH+]c(C(=O)[O-])cc2ccccc12 O=C([O-])[*:1] CC[C@H](C)CN(CC)c1[nH+]c(cc2ccccc12)[*:1]
COC[C@](C)(C#N)NS(=O)(=O)c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] COC[C@](C)(C#N)NS(=O)(=O)c1cccc(c1)[*:1]
COC[C@](C)(C#N)NS(=O)(=O)c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] COC[C@](C)(C#N)NS(=O)(=O)c1cccc(c1)O[*:1]
COC[C@](C)(C#N)NS(=O)(=O)c1cccc(OC(F)(F)F)c1 COC[*:1] C[C@](C#N)(NS(=O)(=O)c1cccc(c1)OC(F)(F)F)[*:1]
NC(=O)NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)NC(=O)COC(=O)c1ccc(cc1)OC[*:1]
NC(=O)NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] NC(=O)NC(=O)COC(=O)c1ccc(cc1)[*:1]
NC(=O)NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1 NC(=O)NC(=O)C[*:1] O=C(O[*:1])c1ccc(cc1)OCc1ccccc1
NC(=O)NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1 NC(=O)NC(=O)[*:1] O=C(OC[*:1])c1ccc(cc1)OCc1ccccc1
NC(=O)NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] NC(=O)NC(=O)COC(=O)c1ccc(cc1)O[*:1]
CC1=Nc2ncnn2C(=O)[C@H]1CCC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC1=Nc2ncnn2C(=O)[C@H]1CCC(=O)N[*:1]
CCOC(=O)[C@H]1C(=O)N(CCOC(C)=O)C[C@@H]1O CC(=O)OC[*:1] CCOC(=O)[C@H]1C(=O)N(C[C@@H]1O)C[*:1]
CCOC(=O)[C@H]1C(=O)N(CCOC(C)=O)C[C@@H]1O CC(=O)OCC[*:1] CCOC(=O)[C@H]1C(=O)N(C[C@@H]1O)[*:1]
CCOC(=O)[C@H]1C(=O)N(CCOC(C)=O)C[C@@H]1O CC(=O)O[*:1] CCOC(=O)[C@H]1C(=O)N(CC[*:1])C[C@@H]1O
CCOC(=O)[C@H]1C(=O)N(CCOC(C)=O)C[C@@H]1O CCOC(=O)[*:1] CC(=O)OCCN1C[C@H](O)[C@H](C1=O)[*:1]
CCCN1C(=O)NC(=N)[C@]1(C)CCc1ccc(O)cc1 CCC[*:1] C[C@]1(CCc2ccc(O)cc2)C(=N)NC(=O)N1[*:1]
CC(C)(C)SC[C@H]([NH3+])[C@@H]1CCc2cccnc21 CC(C)(C)S[*:1] [NH3+][C@@H](C[*:1])[C@@H]1CCc2cccnc21
CC(C)(C)SC[C@H]([NH3+])[C@@H]1CCc2cccnc21 CC(C)(C)[*:1] [NH3+][C@@H](CS[*:1])[C@@H]1CCc2cccnc21
COc1cccc([C@H](CNC(=O)C(=O)NC2CCCCCC2)N2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)[C@H](CNC(=O)C(=O)NC1CCCCCC1)[*:1]
COc1cccc([C@H](CNC(=O)C(=O)NC2CCCCCC2)N2CCOCC2)c1 COc1cccc(c1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])C(=O)NC1CCCCCC1
COc1cccc([C@H](CNC(=O)C(=O)NC2CCCCCC2)N2CCOCC2)c1 C1CCCC(CC1)[*:1] COc1cccc(c1)[C@H](CNC(=O)C(=O)N[*:1])N1CCOCC1
CN(C(=O)c1cc(Cc2ccccc2)ccc1O)[C@H]1[C@@H]2CCO[C@@H]2C1(C)C c1ccc(cc1)C[*:1] CN(C(=O)c1cc(ccc1O)[*:1])[C@H]1[C@@H]2CCO[C@@H]2C1(C)C
CN(C(=O)c1cc(Cc2ccccc2)ccc1O)[C@H]1[C@@H]2CCO[C@@H]2C1(C)C c1ccc(cc1)[*:1] CN(C(=O)c1cc(ccc1O)C[*:1])[C@H]1[C@@H]2CCO[C@@H]2C1(C)C
CC(C)(C)NC(=O)c1ccccc1NC(=O)CS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)CS(=O)(=O)[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)CS(=O)(=O)c1ccccc1 CC(C)(C)NC(=O)[*:1] O=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)CS(=O)(=O)c1ccccc1 CC(C)(C)[*:1] O=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N[*:1]
Cc1ccc(N[C@@H](C(N)=O)c2ccccc2)cc1NC(=O)C[NH+]1CCCCC1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)C[NH+]1CCCCC1)N[C@@H](C(N)=O)[*:1]
Cc1ccc(N[C@@H](C(N)=O)c2ccccc2)cc1NC(=O)C[NH+]1CCCCC1 NC(=O)[*:1] Cc1ccc(cc1NC(=O)C[NH+]1CCCCC1)N[C@@H](c1ccccc1)[*:1]
Cn1ncnc1NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] Cn1ncnc1NC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
Cn1ncnc1NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 Cn1ncnc1[*:1] O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N[*:1]
Cn1ncnc1NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] Cn1ncnc1NC(=O)N[C@H](C1CC1)[*:1]
COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1Br O=[N+]([O-])[*:1] COc1ccc(cc1Br)/N=C/c1cc(ccc1[O-])[*:1]
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](O)C2)c(F)c1 CC(C)O[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)C(=O)Nc1ccc(cc1F)[*:1]
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](O)C2)c(F)c1 CC(C)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)C(=O)Nc1ccc(cc1F)O[*:1]
Cn1ncnc1NC(=O)NCc1ccc([N+](=O)[O-])cc1 Cn1ncnc1[*:1] O=C(NCc1ccc(cc1)[N+](=O)[O-])N[*:1]
Cn1ncnc1NC(=O)NCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cn1ncnc1NC(=O)NCc1ccc(cc1)[*:1]
Cc1cc(C(=O)NCc2cc[nH+]c(N3CCO[C@@H](C)C3)c2)ccc1F Cc1cc(ccc1F)[*:1] C[C@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)[*:1]
COc1cccc(CNC(=O)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c1 COc1cccc(c1)C[*:1] O=C(N[*:1])c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1
COc1cccc(CNC(=O)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1
COc1cccc(CNC(=O)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)c1nc(CS(=O)(=O)[*:1])no1
Cc1occc1C(=O)Nc1cc(Cl)ccc1N(C)C Cc1occc1[*:1] CN(C)c1ccc(Cl)cc1NC(=O)[*:1]
Cc1occc1C(=O)Nc1cc(Cl)ccc1N(C)C CN(C)[*:1] Cc1occc1C(=O)Nc1cc(Cl)ccc1[*:1]
CC1CCN(S(=O)(=O)c2cccn(CC#N)c2=O)CC1 N#CC[*:1] CC1CCN(CC1)S(=O)(=O)c1cccn(c1=O)[*:1]
Cc1cc(NC(=O)CN2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)no1 Clc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CN1CCN(CC1)Cc1cc(no1)[*:1]
Cc1cc(NC(=O)CN2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)no1 Cc1cc(no1)NC(=O)[*:1] Clc1ccc(cc1)-c1cc(CN2CCN(CC2)C[*:1])on1
Cc1cc(NC(=O)CN2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)no1 Cc1cc(no1)[*:1] O=C(CN1CCN(CC1)Cc1cc(no1)-c1ccc(Cl)cc1)N[*:1]
[O-]c1nc2sc3c(c2c2nc(Cc4ccccc4)nn12)CCC3 c1ccc(cc1)[*:1] [O-]c1nc2sc3CCCc3c2c2nc(C[*:1])nn12
[O-]c1nc2sc3c(c2c2nc(Cc4ccccc4)nn12)CCC3 c1ccc(cc1)C[*:1] [O-]c1nc2sc3CCCc3c2c2nc(nn12)[*:1]
COc1cccc2cc(C[NH+](C)Cc3nccs3)oc12 c1csc(C[*:1])n1 COc1cccc2cc(C[NH+](C)[*:1])oc12
COc1cccc2cc(C[NH+](C)Cc3nccs3)oc12 c1csc(n1)[*:1] COc1cccc2cc(C[NH+](C)C[*:1])oc12
COCCC[C@H]1CCCCN1C(=O)c1ccc(=O)n(C)c1 COCCC[*:1] Cn1cc(ccc1=O)C(=O)N1CCCC[C@@H]1[*:1]
COCCC[C@H]1CCCCN1C(=O)c1ccc(=O)n(C)c1 COC[*:1] Cn1cc(ccc1=O)C(=O)N1CCCC[C@@H]1CC[*:1]
COCCC[C@H]1CCCCN1C(=O)c1ccc(=O)n(C)c1 COCC[*:1] Cn1cc(ccc1=O)C(=O)N1CCCC[C@@H]1C[*:1]
O=C([O-])C1CCC([NH+]2CCCC2)CC1 O=C([O-])[*:1] C1CC[NH+](C1)C1CCC(CC1)[*:1]
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H]1CCO[C@H]1C O=C(N1CCCC1)[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCO[C@H]1C)[*:1]
Cc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)C(C)(C)C)CC2)c(F)c1 Cc1ccc(c(F)c1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)C(C)(C)C
Cc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)C(C)(C)C)CC2)c(F)c1 CC(C)(C)[*:1] Cc1ccc(NC(=O)[C@@H](C)N2CCN(CC2)C(=O)[*:1])c(F)c1
CCc1noc(-c2cccn2C[C@H]2CCCO2)n1 C1CO[C@H](C1)C[*:1] CCc1noc(n1)-c1cccn1[*:1]
CCc1noc(-c2cccn2C[C@H]2CCCO2)n1 C1CO[C@H](C1)[*:1] CCc1noc(n1)-c1cccn1C[*:1]
COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(F)cc3F)=C2)c1 COc1ccc(OC)c(c1)[*:1] CN1C(=CC(=NS1(=O)=O)[*:1])C(=O)Nc1ccc(F)cc1F
COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(F)cc3F)=C2)c1 Fc1ccc(c(F)c1)[*:1] COc1ccc(OC)c(c1)C1C=C(C(=O)N[*:1])N(C)S(=O)(=O)N=1
C[C@@H](NC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(CCc1nnc(s1)C(=O)Nc1cccc(Cl)c1)N[*:1]
C[C@@H](NC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1ccccc1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)CCc1nnc(s1)C(=O)N[*:1])c1ccccc1
C[C@@H](NC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCc1nnc(s1)C(=O)Nc1cccc(Cl)c1)[*:1]
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)[C@@H]1c1cccs1 CC(C)[*:1] O=C(NCCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(C[*:1])[C@H]1c1cccs1
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)[C@@H]1c1cccs1 CC(C)C[*:1] O=C(NCCc1ccccc1)[C@@H]1c2ccccc2C(=O)N([C@H]1c1cccs1)[*:1]
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)[C@@H]1c1cccs1 c1ccc(cc1)C[*:1] CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC[*:1])[C@@H]1c1cccs1
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)[C@@H]1c1cccs1 c1ccc(cc1)CC[*:1] CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N[*:1])[C@@H]1c1cccs1
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)[C@@H]1c1cccs1 c1csc(c1)[*:1] CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)[C@H]1[*:1]
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)[C@@H]1c1cccs1 c1ccc(cc1)[*:1] CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[*:1])[C@@H]1c1cccs1
CCc1ccc([C@@H](CO)NC(=O)[C@H](C)NC(=O)c2ccco2)cc1 CCc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](CO)[*:1]
CCc1ccc([C@@H](CO)NC(=O)[C@H](C)NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)[C@H](C)NC(=O)[*:1]
CCc1ccc([C@@H](CO)NC(=O)[C@H](C)NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 CCc1ccc(cc1)[C@@H](CO)NC(=O)[C@H](C)[*:1]
Cc1cc(NC(=O)[C@@H](C)SCC(=O)Oc2ccc(C)c(C)c2)no1 Cc1cc(no1)[*:1] Cc1ccc(cc1C)OC(=O)CS[C@H](C)C(=O)N[*:1]
Cc1cc(NC(=O)[C@@H](C)SCC(=O)Oc2ccc(C)c(C)c2)no1 Cc1ccc(cc1C)[*:1] Cc1cc(no1)NC(=O)[C@@H](C)SCC(=O)O[*:1]
O=C(c1ncccc1C(F)(F)F)N1CCc2c(F)ccc(F)c2C1 FC(F)(F)[*:1] O=C(c1ncccc1[*:1])N1CCc2c(F)ccc(F)c2C1
Cc1cc(C)cc(NC(=O)[C@H](C)S(=O)(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](C)S(=O)(=O)[*:1]
CCOC(=O)CN(C(=O)c1cc(C2CC2)[nH]n1)c1ccc(F)cc1 c1c(n[nH]c1C1CC1)[*:1] CCOC(=O)CN(C(=O)[*:1])c1ccc(F)cc1
CCOC(=O)CN(C(=O)c1cc(C2CC2)[nH]n1)c1ccc(F)cc1 CCOC(=O)C[*:1] O=C(c1cc([nH]n1)C1CC1)N(c1ccc(F)cc1)[*:1]
CCOC(=O)CN(C(=O)c1cc(C2CC2)[nH]n1)c1ccc(F)cc1 CCOC(=O)[*:1] O=C(c1cc([nH]n1)C1CC1)N(C[*:1])c1ccc(F)cc1
CCOC(=O)CN(C(=O)c1cc(C2CC2)[nH]n1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)CN(C(=O)c1cc([nH]n1)C1CC1)[*:1]
CCOC(=O)CN(C(=O)c1cc(C2CC2)[nH]n1)c1ccc(F)cc1 C1CC1[*:1] CCOC(=O)CN(C(=O)c1cc([nH]n1)[*:1])c1ccc(F)cc1
CC[C@@H](C)N(C)c1c(CO)c(C)[nH+]n1-c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)N(C)c1c(CO)c(C)[nH+]n1[*:1]
CC[C@@H](C)N(C)c1c(CO)c(C)[nH+]n1-c1ccccc1 CC[C@@H](C)N(C)[*:1] Cc1[nH+]n(-c2ccccc2)c(c1CO)[*:1]
CC[C@@H](C)N(C)c1c(CO)c(C)[nH+]n1-c1ccccc1 CC[C@@H](C)[*:1] Cc1[nH+]n(-c2ccccc2)c(c1CO)N(C)[*:1]
CCN(C(=O)Nc1ncnn1C)[C@@H](C)c1cccc(OC)c1 Cn1ncnc1[*:1] CCN(C(=O)N[*:1])[C@@H](C)c1cccc(c1)OC
C[C@H](c1ccncc1)[C@H]([NH3+])c1cc2c(s1)CCC2 c1cc(ccn1)[*:1] C[C@H]([C@H]([NH3+])c1cc2CCCc2s1)[*:1]
CC[NH2+][C@]1(C(=O)[O-])CC[C@@H](N2CCO[C@@H](CC)C2)C1 O=C([O-])[*:1] CC[NH2+][C@@]1(CC[C@H](C1)N1CCO[C@@H](CC)C1)[*:1]
C[NH+]1CCN(c2[nH+]cccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)c1[nH+]cccc1[*:1]
C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 C1CC1[*:1] C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(c1)[*:1]
O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2)C1CCN(CC1)C(=O)[*:1]
[NH3+][C@@H]1CC[C@@H](Nc2cc(C(F)(F)F)ccc2F)C1 FC(F)(F)[*:1] [NH3+][C@@H]1CC[C@H](C1)Nc1cc(ccc1F)[*:1]
Cc1cccc(C)c1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 CN(C)C(=O)C[*:1] Cc1cccc(C)c1C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(C)c1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] Cc1cccc(C)c1C(=O)Nc1ccc(cc1)C[*:1]
O=C(COc1ccc(I)cc1)OCC(=O)N1CCN(c2ccccc2F)CC1 Ic1ccc(cc1)[*:1] O=C(CO[*:1])OCC(=O)N1CCN(CC1)c1ccccc1F
O=C(COc1ccc(I)cc1)OCC(=O)N1CCN(c2ccccc2F)CC1 Ic1ccc(cc1)O[*:1] O=C(C[*:1])OCC(=O)N1CCN(CC1)c1ccccc1F
O=C(COc1ccc(I)cc1)OCC(=O)N1CCN(c2ccccc2F)CC1 Ic1ccc(cc1)OC[*:1] O=C(COC(=O)[*:1])N1CCN(CC1)c1ccccc1F
O=C(COc1ccc(I)cc1)OCC(=O)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(COc1ccc(I)cc1)OCC(=O)N1CCN(CC1)[*:1]
Cc1ccc(-c2nc(CCNC(=O)N3CCCC[C@H]3C)co2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)NCCc1coc(n1)[*:1]
O=C1[C@H](n2cnc3cc(F)c(F)cc3c2=O)CCN1CC(F)(F)F FC(F)(F)C[*:1] O=C1[C@@H](CCN1[*:1])n1cnc2cc(F)c(F)cc2c1=O
O=C1[C@H](n2cnc3cc(F)c(F)cc3c2=O)CCN1CC(F)(F)F FC(F)(F)[*:1] O=C1[C@@H](CCN1C[*:1])n1cnc2cc(F)c(F)cc2c1=O
CCN(C(=O)C1=NO[C@H](c2ccccc2)C1)[C@@H](C)C(C)C c1ccc(cc1)[*:1] CCN(C(=O)C1C[C@@H](ON=1)[*:1])[C@@H](C)C(C)C
CCN(C(=O)C1=NO[C@H](c2ccccc2)C1)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCN(C(=O)C1C[C@H](ON=1)c1ccccc1)[*:1]
CCN(C(=O)C1=NO[C@H](c2ccccc2)C1)[C@@H](C)C(C)C CC(C)[*:1] CCN(C(=O)C1C[C@H](ON=1)c1ccccc1)[C@@H](C)[*:1]
Cc1ccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N1CCC(CC1)c1nc(no1)-c1ccc2OCOc2c1)[*:1]
Cc1ccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)c1nc(no1)[*:1]
COc1cc(C(C)=O)ccc1OCC(=O)Oc1ccccc1C Cc1ccccc1[*:1] COc1cc(ccc1OCC(=O)O[*:1])C(C)=O
COc1cc(C(C)=O)ccc1OCC(=O)Oc1ccccc1C CC(=O)[*:1] COc1cc(ccc1OCC(=O)Oc1ccccc1C)[*:1]
COc1ccc(-n2ccn(Cc3cccc(OC)c3)c(=O)c2=O)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)-n1ccn(C[*:1])c(=O)c1=O
COc1ccc(-n2ccn(Cc3cccc(OC)c3)c(=O)c2=O)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)Cn1ccn(c(=O)c1=O)[*:1]
Cn1cc(-c2cccc(C[NH+]3CCC(c4ccnn4CCO)CC3)c2)cn1 OCCn1nccc1[*:1] Cn1cc(cn1)-c1cccc(c1)C[NH+]1CCC(CC1)[*:1]
Cn1cc(-c2cccc(C[NH+]3CCC(c4ccnn4CCO)CC3)c2)cn1 OCC[*:1] Cn1cc(cn1)-c1cccc(c1)C[NH+]1CCC(CC1)c1ccnn1[*:1]
Cn1cc(-c2cccc(C[NH+]3CCC(c4ccnn4CCO)CC3)c2)cn1 Cn1cc(cn1)[*:1] OCCn1nccc1C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2cc[nH]c2)C1 c1cc(c[nH]1)[*:1] C[C@]1(CCCN(C1)C(=O)[*:1])Cc1ccc2OCOc2c1
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 CC[C@@H](C)c1ccccc1[*:1] Cc1ccc(cc1F)C(=O)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 Cc1ccc(cc1F)[*:1] CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(CC1)C(=O)[*:1]
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 CC[C@@H](C)[*:1] Cc1ccc(cc1F)C(=O)N1CCN(CC1)[C@@H](C)C(=O)Nc1ccccc1[*:1]
COC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2N)C1 COC[*:1] Nc1c(cccc1C(F)(F)F)C(=O)N1CC[C@H](C1)[*:1]
COC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2N)C1 FC(F)(F)[*:1] COC[C@@H]1CCN(C1)C(=O)c1cccc(c1N)[*:1]
CCC[NH2+]C[C@@H](c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=S1(=O)CC[C@H](C1)[C@@H](C[NH2+][*:1])c1cccc(Br)c1
O=C1CCc2cc(S(=O)(=O)NC[C@@H](C3=c4ccccc4=[NH+]C3)c3ccccc3)ccc2N1 c1ccc(cc1)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)NC[C@@H](C1C[NH+]=c2ccccc2=1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(C)cc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)c1ccccc1NS(=O)(=O)[*:1]
CC[C@H](C)[C@@](C)(O)CNC(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] CC[C@H](C)[C@@](C)(O)CNC(=O)Nc1cccn(C[*:1])c1=O
CC[C@H](C)[C@@](C)(O)CNC(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] CC[C@H](C)[C@@](C)(O)CNC(=O)Nc1cccn(c1=O)[*:1]
CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)Cn1nc(C)ccc1=O Cc1ccc(=O)n(n1)[*:1] CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)C[*:1]
CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)Cn1nc(C)ccc1=O Cc1ccc(=O)n(C[*:1])n1 CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)[*:1]
CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)Cn1nc(C)ccc1=O CNC(=O)[*:1] Cc1ccc(=O)n(CC(=O)N2CCCC[C@@H]2Cc2c(sc3ccccc23)[*:1])n1
C[C@H](NC(=O)Nc1cccc(C#N)c1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1cccc(C#N)c1)c1noc(C[*:1])n1
C[C@H](NC(=O)Nc1cccc(C#N)c1)c1noc(Cc2ccccc2)n1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)N[*:1])c1noc(Cc2ccccc2)n1
C[C@H](NC(=O)Nc1cccc(C#N)c1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)Nc1cccc(C#N)c1)c1noc(n1)[*:1]
Cc1cc(NC(=O)N2CCC[C@H]2C(N)=O)n(Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(NC(=O)N2CCC[C@H]2C(N)=O)n(C[*:1])n1
Cc1cc(NC(=O)N2CCC[C@H]2C(N)=O)n(Cc2ccccn2)n1 NC(=O)[*:1] Cc1cc(NC(=O)N2CCC[C@@H]2[*:1])n(Cc2ccccn2)n1
Cc1cc(NC(=O)N2CCC[C@H]2C(N)=O)n(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc(NC(=O)N2CCC[C@H]2C(N)=O)n(n1)[*:1]
Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCCC3=O)cc2)c1C O=C1CCCN1[*:1] Cc1cccc(NC(=O)C(=O)NCc2ccc(cc2)[*:1])c1C
Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCCC3=O)cc2)c1C Cc1cccc(c1C)[*:1] O=C(NCc1ccc(cc1)N1CCCC1=O)C(=O)N[*:1]
O=C1C[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CN1c1ccc(Cl)cc1 c1ccc2sc(nc2c1)[*:1] O=C1C[C@@H](CN1c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1[*:1]
O=C1C[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CN1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC[C@@H]1c1nc2ccccc2s1
Cc1cccc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 Cc1cccc(C)c1O[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
Cc1cccc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 Cc1cccc(C)c1[*:1] O=C(CO[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
C[C@@H]1C[C@@H]1c1ccc(CN(Cc2nnc(-c3ccco3)o2)C2CC2)o1 C1CC1[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(Cc2nnc(o2)-c2ccco2)[*:1])o1
C[C@@H]1C[C@@H]1c1ccc(CN(Cc2nnc(-c3ccco3)o2)C2CC2)o1 c1coc(c1)[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(Cc2nnc(o2)[*:1])C2CC2)o1
CCn1cc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)n1 Cc1ccnc(c1)[*:1] CCn1cc(c(C)n1)[C@H]1C(C(=O)N[*:1])=C(C)NC2CC(C)(C)CC(=O)C=21
CCn1cc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)n1 CCn1cc(c(C)n1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)Nc1cc(C)ccn1)[*:1]
CCn1cc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)n1 Cc1ccnc(c1)NC(=O)[*:1] CCn1cc(c(C)n1)[C@@H]1C2C(=O)CC(C)(C)CC=2NC(C)=C1[*:1]
COc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)Nc1ccccc1
COc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)Nc1ccccc1
COc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)C1CCN(CC1)C(=O)N[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1Cl)[*:1])C1CCCC1
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cc(ccc1Cl)[N+](=O)[O-])[*:1]
C[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCC1)C[C@@H](C)O Clc1ccc(cc1)[*:1] C[C@H](CNC(=O)C1(CCC1)[*:1])C[C@@H](C)O
C[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCC1)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)C1(CCC1)c1ccc(Cl)cc1)C[*:1]
C[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCC1)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)C1(CCC1)c1ccc(Cl)cc1)[*:1]
C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)N[*:1]
C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)NC1CCCC1 C1CO[C@@H](C1)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])C(=O)NC1CCCC1
O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N(CC(F)F)C1CC1 c1coc(c1)[*:1] O=C(c1cc(n(n1)-c1ccc(Cl)cc1)[*:1])N(CC(F)F)C1CC1
O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N(CC(F)F)C1CC1 FC(F)[*:1] O=C(c1cc(-c2ccco2)n(n1)-c1ccc(Cl)cc1)N(C[*:1])C1CC1
O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N(CC(F)F)C1CC1 FC(F)C[*:1] O=C(c1cc(-c2ccco2)n(n1)-c1ccc(Cl)cc1)N(C1CC1)[*:1]
O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N(CC(F)F)C1CC1 C1CC1[*:1] O=C(c1cc(-c2ccco2)n(n1)-c1ccc(Cl)cc1)N(CC(F)F)[*:1]
O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N(CC(F)F)C1CC1 Clc1ccc(cc1)[*:1] O=C(c1cc(-c2ccco2)n(n1)[*:1])N(CC(F)F)C1CC1
Cc1cc(C)nc(SCC(=O)NC[C@@H](C)Cn2nc(C)cc2C)n1 Cc1cc(C)n(C[*:1])n1 Cc1cc(C)nc(n1)SCC(=O)NC[C@@H](C)[*:1]
Cc1cc(C)nc(SCC(=O)NC[C@@H](C)Cn2nc(C)cc2C)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(C)nc(n1)SCC(=O)NC[C@@H](C)C[*:1]
Cc1cc(C)nc(SCC(=O)NC[C@@H](C)Cn2nc(C)cc2C)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)CS[*:1])n1
C[C@H](NC(=O)/C=C/SCc1ccco1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)/C=C/SCc1ccco1)[*:1]
C[C@H](NC(=O)/C=C/SCc1ccco1)C1CCCCC1 c1coc(c1)[*:1] C[C@H](NC(=O)/C=C/SC[*:1])C1CCCCC1
C[C@H](NC(=O)/C=C/SCc1ccco1)C1CCCCC1 c1coc(c1)C[*:1] C[C@H](NC(=O)/C=C/S[*:1])C1CCCCC1
CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4Cl)CC3)C2=O)cc1 Clc1ccccc1[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)C[C@H](C1=O)N1CCN(CC1)C[*:1]
CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4Cl)CC3)C2=O)cc1 CCOC(=O)[*:1] O=C1C[C@H](C(=O)N1c1ccc(cc1)[*:1])N1CCN(CC1)Cc1ccccc1Cl
CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4Cl)CC3)C2=O)cc1 Clc1ccccc1C[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)C[C@H](C1=O)N1CCN(CC1)[*:1]
CC(C)c1ccc(C[NH+](CC(=O)Nc2nncs2)C2CC2)cc1 CC(C)[*:1] O=C(C[NH+](Cc1ccc(cc1)[*:1])C1CC1)Nc1nncs1
CC(C)c1ccc(C[NH+](CC(=O)Nc2nncs2)C2CC2)cc1 c1nnc(s1)[*:1] CC(C)c1ccc(cc1)C[NH+](CC(=O)N[*:1])C1CC1
CC(C)c1ccc(C[NH+](CC(=O)Nc2nncs2)C2CC2)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)C[NH+](CC(=O)Nc1nncs1)[*:1]
Cc1nc(CC(=O)Cc2cccc(C(F)(F)F)c2)sc1C FC(F)(F)[*:1] Cc1nc(CC(=O)Cc2cccc(c2)[*:1])sc1C
Cc1nc(CC(=O)Cc2cccc(C(F)(F)F)c2)sc1C Cc1nc(sc1C)[*:1] O=C(Cc1cccc(c1)C(F)(F)F)C[*:1]
CCNC(=O)C1CCN(C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CCNC(=O)C1CCN(CC1)C(=O)/C=C(/C)c1cccc(c1)[*:1]
CCNC(=O)C1CCN(C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)CC1 CCNC(=O)[*:1] C/C(=C/C(=O)N1CCC(CC1)[*:1])c1cccc(c1)C(F)(F)F
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccccc3Cl)cc2)no1 Clc1ccccc1C[*:1] Cc1cc(no1)NS(=O)(=O)c1ccc(cc1)NC(=O)C(=O)N[*:1]
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccccc3Cl)cc2)no1 Cc1cc(no1)[*:1] O=C(NCc1ccccc1Cl)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccccc3Cl)cc2)no1 Clc1ccccc1[*:1] Cc1cc(no1)NS(=O)(=O)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccccc3Cl)cc2)no1 Cc1cc(no1)NS(=O)(=O)[*:1] O=C(NCc1ccccc1Cl)C(=O)Nc1ccc(cc1)[*:1]
CCC(=O)c1ccn(C[C@H]2OCCc3ccccc32)c1 CCC(=O)[*:1] c1ccc2c(c1)CCO[C@@H]2Cn1ccc(c1)[*:1]
N#C/C(=C\[C@H]1C=NN=C1c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 c1ccc(cc1)[*:1] N#C/C(=C\[C@H]1C=NN=C1[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1
C[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)N(C)[*:1]
C[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)[*:1]
CC(=O)Nc1ccc(Cl)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 CC(=O)N[*:1] O=C(Nc1cc(ccc1Cl)[*:1])C(c1ccccc1)c1ccccc1
CC(=O)Nc1ccc(Cl)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(Cl)c(c1)NC(=O)C(c1ccccc1)[*:1]
O=C(COc1ncnc2ccc(Br)cc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(COc1ncnc2ccc(Br)cc12)Nc1ccc(cc1)[*:1]
Cc1ncc([N+](=O)[O-])n1CCOC(=O)C(C)(C)c1ccccc1 O=[N+]([O-])[*:1] Cc1ncc(n1CCOC(=O)C(C)(C)c1ccccc1)[*:1]
Cc1ncc([N+](=O)[O-])n1CCOC(=O)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ncc(n1CCOC(=O)C(C)(C)[*:1])[N+](=O)[O-]
COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(c1cccc(Cl)c1C)C2=O C1CCC(C1)[*:1] COC(=O)c1cc2C(=O)N(c3cccc(Cl)c3C)[C@](C)(Cn2n1)C(=O)N[*:1]
COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(c1cccc(Cl)c1C)C2=O Cc1c(Cl)cccc1[*:1] COC(=O)c1cc2C(=O)N([C@](C)(Cn2n1)C(=O)NC1CCCC1)[*:1]
COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(c1cccc(Cl)c1C)C2=O O=C(NC1CCCC1)[*:1] COC(=O)c1cc2C(=O)N(c3cccc(Cl)c3C)[C@@](C)(Cn2n1)[*:1]
COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(c1cccc(Cl)c1C)C2=O COC(=O)[*:1] Cc1c(Cl)cccc1N1C(=O)c2cc(nn2C[C@]1(C)C(=O)NC1CCCC1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 CC(=O)[*:1] Cc1cc(C(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(cc2)[*:1])c(C)n1C1CC1
CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 Cc1cc(c(C)n1C1CC1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 C1CC1[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)c1cc(C)n(c1C)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1cc(C(=O)CN2CCN(CC2)S(=O)(=O)[*:1])c(C)n1C1CC1
Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)n1 C1CC1C[*:1] Cc1nc(C)n(n1)[C@@H]1CCCN(C1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)n1 C1CC1[*:1] Cc1nc(C)n(n1)[C@@H]1CCCN(C1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)C2)n1 Cc1nc(C)n(n1)[*:1] O=C1C[C@@H](CN1CC1CC1)C(=O)N1CCC[C@H](C1)[*:1]
C[C@H](CO)[C@@H](C)NC(=O)NCc1cccc(CN2CCOCC2)c1 C1CN(CCO1)[*:1] C[C@H](CO)[C@@H](C)NC(=O)NCc1cccc(c1)C[*:1]
C[C@H](CO)[C@@H](C)NC(=O)NCc1cccc(CN2CCOCC2)c1 C1CN(CCO1)C[*:1] C[C@H](CO)[C@@H](C)NC(=O)NCc1cccc(c1)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)NCCNC(=O)C1CC1 C1CC1[*:1] C[C@@H](CO)[C@@H](C)NC(=O)NCCNC(=O)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)NCCNC(=O)C1CC1 C[C@@H](CO)[*:1] C[C@@H](NC(=O)NCCNC(=O)C1CC1)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)NCCNC(=O)C1CC1 O=C(N[*:1])C1CC1 C[C@@H](CO)[C@@H](C)NC(=O)NCC[*:1]
O=C(NC[C@H]1CCCO1)c1cc(-c2nc3ccccc3s2)nc2ccccc12 c1ccc2sc(nc2c1)[*:1] O=C(NC[C@H]1CCCO1)c1cc(nc2ccccc12)[*:1]
CCOc1ccc(-c2nonc2N)cc1 CCO[*:1] Nc1nonc1-c1ccc(cc1)[*:1]
O=C(CN1C(=O)S/C(=C\c2cccn2-c2ccc(O)cc2)C1=O)N1CCN(c2ccccc2)CC1 Oc1ccc(cc1)[*:1] O=C(CN1C(=O)S/C(=C\c2cccn2[*:1])C1=O)N1CCN(CC1)c1ccccc1
O=C(CN1C(=O)S/C(=C\c2cccn2-c2ccc(O)cc2)C1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CN1C(=O)S/C(=C\c2cccn2-c2ccc(O)cc2)C1=O)N1CCN(CC1)[*:1]
COC(=O)c1cc(C)ccc1NCC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1cc(C)ccc1NCC(=O)NC[*:1]
COC(=O)c1cc(C)ccc1NCC(=O)NCc1ccccc1 COC(=O)[*:1] Cc1ccc(NCC(=O)NCc2ccccc2)c(c1)[*:1]
COC(=O)c1cc(C)ccc1NCC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] COC(=O)c1cc(C)ccc1NCC(=O)N[*:1]
C[C@H]1CCC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1C O=[N+]([O-])[*:1] C[C@H]1CCC[C@@H](NC(=O)c2nn(C)cc2[*:1])[C@@H]1C
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1cc(ccc1[N-]S(=O)(=O)c1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1cc(ccc1[N-]S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@]1(CO)CCC[C@@H]1NC(=O)N[C@@H](c1ccccc1)C1CCC1 c1ccc(cc1)[*:1] C[C@]1(CO)CCC[C@@H]1NC(=O)N[C@@H](C1CCC1)[*:1]
C[C@]1(CO)CCC[C@@H]1NC(=O)N[C@@H](c1ccccc1)C1CCC1 C1CC(C1)[*:1] C[C@]1(CO)CCC[C@@H]1NC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1nn(C)c(C)c1CCC(=O)N1CCC(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CCC(=O)N1CCC(CC1)C(=O)[*:1]
Cc1nn(C)c(C)c1CCC(=O)N1CCC(C(=O)c2ccccc2)CC1 Cc1nn(C)c(C)c1[*:1] O=C(c1ccccc1)C1CCN(CC1)C(=O)CC[*:1]
Cc1nn(C)c(C)c1CCC(=O)N1CCC(C(=O)c2ccccc2)CC1 O=C(c1ccccc1)[*:1] Cc1nn(C)c(C)c1CCC(=O)N1CCC(CC1)[*:1]
Oc1ccccc1C1=NO[C@@](O)(C(F)F)C1 FC(F)[*:1] Oc1ccccc1C1C[C@](O)(ON=1)[*:1]
O=c1[nH]cc(-c2ccc(OCc3ccccc3)cc2)c(=O)[nH]1 c1ccc(cc1)C[*:1] O=c1[nH]cc(-c2ccc(cc2)O[*:1])c(=O)[nH]1
O=c1[nH]cc(-c2ccc(OCc3ccccc3)cc2)c(=O)[nH]1 c1ccc(cc1)[*:1] O=c1[nH]cc(-c2ccc(cc2)OC[*:1])c(=O)[nH]1
CCn1c2ccccc2c2cc([C@H](C)NC=O)ccc21 O=CN[*:1] CCn1c2ccccc2c2cc(ccc21)[C@H](C)[*:1]
CCn1c2ccccc2c2cc([C@H](C)NC=O)ccc21 C[C@H](NC=O)[*:1] CCn1c2ccccc2c2cc(ccc21)[*:1]
COc1ccc(-c2noc([C@@H]3CCCN3C(=O)NCc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(=O)NC[*:1]
COc1ccc(-c2noc([C@@H]3CCCN3C(=O)NCc3ccc(C)cc3)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)N1CCC[C@H]1c1nc(no1)[*:1]
COc1ccc(-c2noc([C@@H]3CCCN3C(=O)NCc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(=O)N[*:1]
CC(C)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F CC(C)[*:1] C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N[C@@H](C)[*:1]
CC(C)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F CC(C)[C@H](C)NC(=O)[*:1] C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)[*:1]
CC(C)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F CC(C)[C@H](C)[*:1] C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N[*:1]
CC(C)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] CC(C)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1[*:1]
CN(Cc1cccnc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F c1cncc(c1)C[*:1] CN(C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[*:1]
CN(Cc1cccnc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F c1cncc(c1)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F
CN(Cc1cccnc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CN(Cc1cccnc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1[*:1]
O=S(=O)(N[C@H]1CCC[C@H]1n1ccnc1)c1ccc2c(c1)CCCC2 c1cn(cn1)[*:1] O=S(=O)(N[C@H]1CCC[C@@H]1[*:1])c1ccc2CCCCc2c1
C[C@@H]1C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CS1 FC(F)(F)[*:1] C[C@@H]1C[C@@H](CS1)Nc1ccc(C#N)c(c1)[*:1]
C=C(C)C[C@H]([NH2+]C)[C@H]1C[NH+]2CCN1CC2 C=C(C)C[*:1] C[NH2+][C@H]([C@H]1C[NH+]2CCN1CC2)[*:1]
C=C(C)C[C@H]([NH2+]C)[C@H]1C[NH+]2CCN1CC2 C=C(C)[*:1] C[NH2+][C@@H](C[*:1])[C@H]1C[NH+]2CCN1CC2
C[C@@](O)(CNC(=O)c1csnn1)c1ccc(F)cc1F c1snnc1[*:1] C[C@@](O)(CNC(=O)[*:1])c1ccc(F)cc1F
CC(C)[C@@H](CNC(=O)NC[C@@]1(C)CCCO1)C(=O)[O-] CC(C)[*:1] C[C@@]1(CCCO1)CNC(=O)NC[C@@H](C(=O)[O-])[*:1]
CC(C)[C@@H](CNC(=O)NC[C@@]1(C)CCCO1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](CNC(=O)NC[C@@]1(C)CCCO1)[*:1]
CC(C)[C@@H](CNC(=O)NC[C@@]1(C)CCCO1)C(=O)[O-] C[C@]1(CCCO1)[*:1] CC(C)[C@@H](CNC(=O)NC[*:1])C(=O)[O-]
O=C(CNc1cccc2ccccc12)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CNc1cccc2ccccc12)N1CCN(CC1)[*:1]
COC(=O)c1cccc(CC(=O)N(C)c2ncccc2OC)c1 COC(=O)[*:1] COc1cccnc1N(C)C(=O)Cc1cccc(c1)[*:1]
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc(=O)[nH]c1 O=c1ccc(c[nH]1)[*:1] CN(Cc1cn(nc1-c1cccs1)-c1ccccc1)C(=O)[*:1]
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc(=O)[nH]c1 c1ccc(cc1)[*:1] CN(Cc1cn(nc1-c1cccs1)[*:1])C(=O)c1ccc(=O)[nH]c1
CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)c1ccc(=O)[nH]c1 c1csc(c1)[*:1] CN(Cc1cn(nc1[*:1])-c1ccccc1)C(=O)c1ccc(=O)[nH]c1
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(F)c(F)c(F)c1 CCOC(=O)[*:1] CC1NC(=O)N[C@@H](C=1[*:1])c1cc(F)c(F)c(F)c1
COC(=O)CCC[NH+]1CCCN(CC(F)F)CC1 COC(=O)CC[*:1] FC(F)CN1CCC[NH+](CC1)C[*:1]
COC(=O)CCC[NH+]1CCCN(CC(F)F)CC1 COC(=O)C[*:1] FC(F)CN1CCC[NH+](CC1)CC[*:1]
COC(=O)CCC[NH+]1CCCN(CC(F)F)CC1 FC(F)C[*:1] COC(=O)CCC[NH+]1CCCN(CC1)[*:1]
COC(=O)CCC[NH+]1CCCN(CC(F)F)CC1 FC(F)[*:1] COC(=O)CCC[NH+]1CCCN(CC1)C[*:1]
COC(=O)CCC[NH+]1CCCN(CC(F)F)CC1 COC(=O)[*:1] FC(F)CN1CCC[NH+](CCC[*:1])CC1
O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1[*:1]
O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1 Fc1ccc(cc1)[*:1] O=C1SC(=C[*:1])C(=O)N1c1ccccc1
O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(O)c2ccccc2c1O c1ccc(cc1)[*:1] O=C(OCC(=O)N1CCC(CC1)C[*:1])c1cc(O)c2ccccc2c1O
O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(O)c2ccccc2c1O c1ccc(cc1)C[*:1] O=C(OCC(=O)N1CCC(CC1)[*:1])c1cc(O)c2ccccc2c1O
COc1ccc(OC)c([C@@H](C)NC(=O)Nc2c(F)cccc2F)c1 Fc1cccc(F)c1[*:1] COc1ccc(OC)c(c1)[C@@H](C)NC(=O)N[*:1]
CCOc1cc(NC(=O)[C@H]2Cc3ccccc3S2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])NC(=O)[C@H]1Cc2ccccc2S1
N#Cc1cc2c(nc1SCC(=O)Nc1nonc1-n1cccc1)CCCC2 c1ccn(c1)[*:1] N#Cc1cc2CCCCc2nc1SCC(=O)Nc1nonc1[*:1]
Cc1ccc(F)c(C(=O)N(CC#N)c2ccccc2)c1 N#CC[*:1] Cc1ccc(F)c(c1)C(=O)N(c1ccccc1)[*:1]
Cc1ccc(F)c(C(=O)N(CC#N)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(F)c(c1)C(=O)N(CC#N)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COCC[NH3+] CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)COCC[NH3+])[*:1]
CSc1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2=O)nn1 c1ccc(cc1)[*:1] CSc1ccc(nn1)N[C@@H]1CCCN(C[*:1])C1=O
CSc1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2=O)nn1 c1ccc(cc1)C[*:1] CSc1ccc(nn1)N[C@@H]1CCCN(C1=O)[*:1]
CNC(=O)c1cccc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 C1CC1[*:1] CNC(=O)c1cccc(c1)C[NH2+][C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CNC(=O)c1cccc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 FC(F)(F)[*:1] CNC(=O)c1cccc(c1)C[NH2+][C@@H](c1cccc(c1)[*:1])C1CC1
CNC(=O)c1cccc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 CNC(=O)[*:1] FC(F)(F)c1cccc(c1)[C@H]([NH2+]Cc1cccc(c1)[*:1])C1CC1
O=C1N[C@@H](C(=O)N2CCC[C@@H]2C2CCCC2)CS1 C1CCC(C1)[*:1] O=C1N[C@H](CS1)C(=O)N1CCC[C@H]1[*:1]
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 c1cc2OCCOc2cc1[*:1] COC(=O)[C@@]1(CCSC)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@H]21)[*:1]
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 CSCC[*:1] COC(=O)[C@]1(N[C@@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@H]21)c1ccc2OCCOc2c1)[*:1]
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 CSC[*:1] COC(=O)[C@@]1(C[*:1])N[C@@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@H]21)c1ccc2OCCOc2c1
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 Cc1ccccc1[*:1] COC(=O)[C@@]1(CCSC)N[C@@H]([C@H]2C(=O)N(C(=O)[C@H]21)c1ccc2OCCOc2c1)[*:1]
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 COC(=O)[*:1] CSCC[C@]1(N[C@@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@H]21)c1ccc2OCCOc2c1)[*:1]
COC(=O)[C@H]1C=C(c2ccc(Br)cc2)N=N1 COC(=O)[*:1] Brc1ccc(cc1)C1=C[C@@H](N=N1)[*:1]
Cc1noc(CCNC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)n1 Cc1noc(C[*:1])n1 C[C@H](NC(=O)NC[*:1])c1cccc(c1)C(F)(F)F
Cc1noc(CCNC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)n1 Cc1noc(n1)[*:1] C[C@H](NC(=O)NCC[*:1])c1cccc(c1)C(F)(F)F
Cc1noc(CCNC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)n1 Cc1noc(CC[*:1])n1 C[C@H](NC(=O)N[*:1])c1cccc(c1)C(F)(F)F
Cc1noc(CCNC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] Cc1noc(CCNC(=O)N[C@@H](C)c2cccc(c2)[*:1])n1
Cc1ccc(N[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1OCC(F)F Cc1nn(C)c(C)c1[*:1] Cc1ccc(cc1OCC(F)F)N[C@@H](C)C(=O)N[*:1]
Cc1ccc(N[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1OCC(F)F FC(F)CO[*:1] Cc1ccc(cc1[*:1])N[C@@H](C)C(=O)Nc1c(C)nn(C)c1C
Cc1ccc(N[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1OCC(F)F FC(F)[*:1] Cc1ccc(cc1OC[*:1])N[C@@H](C)C(=O)Nc1c(C)nn(C)c1C
Cc1ccc(N[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1OCC(F)F FC(F)C[*:1] Cc1ccc(cc1O[*:1])N[C@@H](C)C(=O)Nc1c(C)nn(C)c1C
C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCc2ccccn2)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(CC(=O)NCCc2ccccn2)C1=O)[*:1]
C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCc2ccccn2)C1=O c1ccc(C[*:1])nc1 C[C@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)C1CC1
C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCc2ccccn2)C1=O c1ccc(nc1)[*:1] C[C@]1(NC(=O)N(CC(=O)NCC[*:1])C1=O)C1CC1
COCc1ccccc1CNC(=O)N1CCC[C@H]1C1CCCC1 COC[*:1] O=C(NCc1ccccc1[*:1])N1CCC[C@H]1C1CCCC1
COCc1ccccc1CNC(=O)N1CCC[C@H]1C1CCCC1 C1CCC(C1)[*:1] COCc1ccccc1CNC(=O)N1CCC[C@@H]1[*:1]
Cc1cccc(Cn2nc(C)c(NC(=O)[C@]3(C)Sc4ccccc4NC3=O)c2C)c1 Cc1cccc(c1)[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)[C@]1(C)Sc2ccccc2NC1=O
Cc1cccc(Cn2nc(C)c(NC(=O)[C@]3(C)Sc4ccccc4NC3=O)c2C)c1 Cc1cccc(c1)C[*:1] Cc1nn(c(C)c1NC(=O)[C@]1(C)Sc2ccccc2NC1=O)[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 CCC(CC)[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)/C([O-])=N/S(=O)(=O)[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] CCC(CC)S(=O)(=O)/N=C(\[O-])[C@@H]1CC(=O)N(C1)C[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 Cc1ccc(cc1)C[*:1] CCC(CC)S(=O)(=O)/N=C(\[O-])[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)c1ccccc1CCC(=O)N1C[C@H](C)OCC1(C)C COC(=O)[*:1] C[C@H]1CN(C(=O)CCc2ccccc2[*:1])C(C)(C)CO1
CSc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2C)c1 CSc1cccc(c1)[*:1] Cc1ccc(C)c(c1)NC(=O)c1nnn(CC(=O)N[*:1])c1C
CSc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2C)c1 Cc1ccc(C)c(c1)[*:1] CSc1cccc(c1)NC(=O)Cn1nnc(C(=O)N[*:1])c1C
Cc1ccc(NNC(=O)c2cccc(C(F)(F)F)c2F)cc1Cl FC(F)(F)[*:1] Cc1ccc(cc1Cl)NNC(=O)c1cccc(c1F)[*:1]
Cc1c(CN2CCN(c3ccc(N)c[nH+]3)CC2)cnn1C Cc1c(cnn1C)[*:1] Nc1ccc([nH+]c1)N1CCN(CC1)C[*:1]
CCc1ccc(/C(C)=N\NC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)/C(C)=N\NC(=O)[*:1]
N/C(=N/OCc1c(F)cccc1Cl)c1cccc(OCc2cccnc2)c1 c1cncc(c1)CO[*:1] N/C(=N/OCc1c(F)cccc1Cl)c1cccc(c1)[*:1]
N/C(=N/OCc1c(F)cccc1Cl)c1cccc(OCc2cccnc2)c1 Fc1cccc(Cl)c1C[*:1] N/C(=N/O[*:1])c1cccc(c1)OCc1cccnc1
N/C(=N/OCc1c(F)cccc1Cl)c1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] N/C(=N/OCc1c(F)cccc1Cl)c1cccc(c1)O[*:1]
N/C(=N/OCc1c(F)cccc1Cl)c1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] N/C(=N/OCc1c(F)cccc1Cl)c1cccc(c1)OC[*:1]
N/C(=N/OCc1c(F)cccc1Cl)c1cccc(OCc2cccnc2)c1 Fc1cccc(Cl)c1[*:1] N/C(=N/OC[*:1])c1cccc(c1)OCc1cccnc1
NC(=O)N1CCC[C@H]1C(=O)NCCOCCc1ccccc1 c1ccc(cc1)C[*:1] NC(=O)N1CCC[C@H]1C(=O)NCCOC[*:1]
NC(=O)N1CCC[C@H]1C(=O)NCCOCCc1ccccc1 c1ccc(cc1)[*:1] NC(=O)N1CCC[C@H]1C(=O)NCCOCC[*:1]
C[C@H](NC(=O)NCc1csc(C(C)(C)C)n1)[C@@H](C)CO C[C@@H](CO)[*:1] C[C@H](NC(=O)NCc1csc(n1)C(C)(C)C)[*:1]
C[C@H](NC(=O)NCc1csc(C(C)(C)C)n1)[C@@H](C)CO CC(C)(C)[*:1] C[C@H](NC(=O)NCc1csc(n1)[*:1])[C@@H](C)CO
O=[N+]([O-])c1ccc([O-])c(/C=N/N=C2\C[C@H](c3ccccc3)[NH+]=N2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc([O-])c(/C=N/N=C2\C[C@H]([NH+]=N2)[*:1])c1
O=[N+]([O-])c1ccc([O-])c(/C=N/N=C2\C[C@H](c3ccccc3)[NH+]=N2)c1 O=[N+]([O-])[*:1] [O-]c1ccc(cc1/C=N/N=C1\C[C@@H]([NH+]=N1)c1ccccc1)[*:1]
O=C(CO)Nc1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)c1 c1ccc2c(c1)ncn2[*:1] O=C(CO)Nc1cccc(c1)NC(=O)c1ccc(nc1)[*:1]
O=C(CO)Nc1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)c1 O=C(CO)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(nc1)-n1cnc2ccccc21
C[C@@H](c1ccco1)N(C(=O)NCc1cnn(-c2ccccc2)c1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)NCc1cnn(c1)-c1ccccc1)[*:1]
C[C@@H](c1ccco1)N(C(=O)NCc1cnn(-c2ccccc2)c1)C1CC1 c1ccc(cc1)[*:1] C[C@@H](c1ccco1)N(C(=O)NCc1cnn(c1)[*:1])C1CC1
C[C@@H](c1ccco1)N(C(=O)NCc1cnn(-c2ccccc2)c1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)NCc1cnn(c1)-c1ccccc1)C1CC1)[*:1]
C[C@@H](OC(=O)c1ccccc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F c1ccc(cc1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
C[C@@H](OC(=O)c1ccccc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F O=C(O[*:1])c1ccccc1 C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[*:1]
C[C@@H](OC(=O)c1ccccc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F Fc1ccc(c(F)c1F)[*:1] C[C@@H](OC(=O)c1ccccc1)C(=O)NCC(=O)N[*:1]
CC(=O)[C@@H]1C[C@H](O)[C@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]21C CC(=O)[*:1] C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]3[C@@H](O)C[C@H]([C@@]3(C)[C@H](O)C[C@H]12)[*:1]
CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C Cc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C CCc1ccccc1[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)C(=O)N[*:1])[NH+](C)C
COCCn1c(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc2ccccc21 c1ccc(cc1)[*:1] COCCn1c(cc2ccccc21)C(=O)N1CCO[C@@H](C1)[*:1]
COCCn1c(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc2ccccc21 COCC[*:1] O=C(c1cc2ccccc2n1[*:1])N1CCO[C@H](C1)c1ccccc1
COCCn1c(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc2ccccc21 COC[*:1] O=C(c1cc2ccccc2n1C[*:1])N1CCO[C@H](C1)c1ccccc1
CC/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CC c1ccc(cc1)[*:1] CC/N=C1/S[C@H](CC(=O)N[*:1])C(=O)N1CC
Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(c2cccc(C(=O)[O-])[nH+]2)C1 O=C([O-])[*:1] Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(C1)c1cccc([nH+]1)[*:1]
CC1CCC(N(C(=O)CCc2ccsc2)C2CC2)CC1 c1cc(cs1)C[*:1] CC1CCC(CC1)N(C(=O)C[*:1])C1CC1
CC1CCC(N(C(=O)CCc2ccsc2)C2CC2)CC1 C1CC1[*:1] CC1CCC(CC1)N(C(=O)CCc1ccsc1)[*:1]
CC1CCC(N(C(=O)CCc2ccsc2)C2CC2)CC1 c1cc(cs1)[*:1] CC1CCC(CC1)N(C(=O)CC[*:1])C1CC1
Cc1ccn(CCNC(=O)c2cccc(-n3nc(C)c(Cl)c3C)c2)n1 Cc1ccn(CC[*:1])n1 Cc1nn(-c2cccc(c2)C(=O)N[*:1])c(C)c1Cl
Cc1ccn(CCNC(=O)c2cccc(-n3nc(C)c(Cl)c3C)c2)n1 Cc1nn(c(C)c1Cl)[*:1] Cc1ccn(CCNC(=O)c2cccc(c2)[*:1])n1
Cc1ccn(CCNC(=O)c2cccc(-n3nc(C)c(Cl)c3C)c2)n1 Cc1ccn(n1)[*:1] Cc1nn(-c2cccc(c2)C(=O)NCC[*:1])c(C)c1Cl
Cc1ccn(CCNC(=O)c2cccc(-n3nc(C)c(Cl)c3C)c2)n1 Cc1ccn(C[*:1])n1 Cc1nn(-c2cccc(c2)C(=O)NC[*:1])c(C)c1Cl
CC(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)c1ccccc1 c1cc2OCOc2cc1[*:1] CC(C)N(C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1])c1ccccc1
CC(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc2OCOc2c1)[*:1]
CC(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)c1ccccc1 CC(C)[*:1] C[C@@]1(NC(=O)N(CC(=O)N(c2ccccc2)[*:1])C1=O)c1ccc2OCOc2c1
O=C(NC[C@@H]1CC[C@H](C(=O)[O-])O1)[C@@H]1CCC[NH2+]C1 O=C([O-])[*:1] O=C(NC[C@@H]1CC[C@H](O1)[*:1])[C@@H]1CCC[NH2+]C1
CSc1cccc(C(=O)N2CCN(c3nc4ccc(SC)cc4s3)CC2)c1 CSc1cccc(c1)[*:1] CSc1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[*:1]
CC(C)[C@H](Sc1ccc(O)cc1)C(=O)NCc1ccccc1F CC(C)[*:1] O=C(NCc1ccccc1F)[C@@H](Sc1ccc(O)cc1)[*:1]
CC(C)[C@H](Sc1ccc(O)cc1)C(=O)NCc1ccccc1F Fc1ccccc1[*:1] CC(C)[C@H](Sc1ccc(O)cc1)C(=O)NC[*:1]
CC(C)[C@H](Sc1ccc(O)cc1)C(=O)NCc1ccccc1F Oc1ccc(cc1)[*:1] CC(C)[C@H](S[*:1])C(=O)NCc1ccccc1F
CC(=O)Oc1ccc2oc(N)c([C@@H]3N[C@@H](C(=O)[O-])C(C)(C)S3)c(=O)c2c1 CC(=O)O[*:1] CC1(C)S[C@@H](N[C@H]1C(=O)[O-])c1c(N)oc2ccc(cc2c1=O)[*:1]
CC(=O)Oc1ccc2oc(N)c([C@@H]3N[C@@H](C(=O)[O-])C(C)(C)S3)c(=O)c2c1 O=C([O-])[*:1] CC(=O)Oc1ccc2oc(N)c(c(=O)c2c1)[C@@H]1N[C@@H](C(C)(C)S1)[*:1]
CC[C@H](NC(=O)CC[C@H](C)O)C(C)C C[C@H](O)C[*:1] CC[C@H](NC(=O)C[*:1])C(C)C
CC[C@H](NC(=O)CC[C@H](C)O)C(C)C C[C@H](O)[*:1] CC[C@H](NC(=O)CC[*:1])C(C)C
CC[C@H](NC(=O)CC[C@H](C)O)C(C)C CC(C)[*:1] CC[C@H](NC(=O)CC[C@H](C)O)[*:1]
C=CCCCOc1ccc(C#N)cn1 C=CCC[*:1] N#Cc1ccc(nc1)OC[*:1]
C=CCCCOc1ccc(C#N)cn1 C=CC[*:1] N#Cc1ccc(nc1)OCC[*:1]
CCC[C@]1(C)NC(=O)N(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1=O Clc1cc(Cl)cc(c1)[*:1] CCC[C@]1(C)NC(=O)N(CC(=O)N(C)C[*:1])C1=O
CCC[C@]1(C)NC(=O)N(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1=O CCC[*:1] CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(-c3ccccc3)nc1[C@H]2CC(=O)N1CCOCC1 c1ccc(cc1)[*:1] C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2CC(=O)N1CCOCC1)[*:1]
C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(-c3ccccc3)nc1[C@H]2CC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2C[*:1])-c1ccccc1
C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(-c3ccccc3)nc1[C@H]2CC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@@H]2[*:1])-c1ccccc1
Cc1nc2cc(C(=O)N(C)Cc3cccnc3)ccc2n1C c1cncc(c1)[*:1] Cc1nc2cc(ccc2n1C)C(=O)N(C)C[*:1]
Cc1nc2cc(C(=O)N(C)Cc3cccnc3)ccc2n1C c1cncc(c1)C[*:1] Cc1nc2cc(ccc2n1C)C(=O)N(C)[*:1]
C[NH2+][C@@H](C)c1ccc(O[C@@H](C)C(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] C[NH2+][C@@H](C)c1ccc(cc1)O[C@@H](C)C(=O)N[*:1]
C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] C1CC[C@H](OC1)[*:1] C[C@@H](OC[*:1])C(=O)Nc1ccc(F)cc1[N+](=O)[O-]
C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(F)cc1[*:1]
C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] C1CC[C@@H](C[*:1])OC1 C[C@@H](O[*:1])C(=O)Nc1ccc(F)cc1[N+](=O)[O-]
C[C@H]1OCC[C@@H]1Nc1ccc(OC(F)F)cn1 FC(F)O[*:1] C[C@H]1OCC[C@@H]1Nc1ccc(cn1)[*:1]
C[C@H]1OCC[C@@H]1Nc1ccc(OC(F)F)cn1 FC(F)[*:1] C[C@H]1OCC[C@@H]1Nc1ccc(cn1)O[*:1]
O=C(OCc1csc(Br)c1)c1cccc2c1OCCO2 Brc1cc(cs1)[*:1] O=C(OC[*:1])c1cccc2OCCOc21
CCCCC[NH+](C)CC(=O)Nc1ccc(C)cc1N CCCC[*:1] Cc1ccc(NC(=O)C[NH+](C)C[*:1])c(N)c1
CCCCC[NH+](C)CC(=O)Nc1ccc(C)cc1N CCC[*:1] Cc1ccc(NC(=O)C[NH+](C)CC[*:1])c(N)c1
CCCCC[NH+](C)CC(=O)Nc1ccc(C)cc1N CCCCC[*:1] Cc1ccc(NC(=O)C[NH+](C)[*:1])c(N)c1
COc1cccc([C@@H](O)CN[C@H](C)c2cnc3cc(C)nn3c2C)c1 COc1cccc(c1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)NC[C@H](O)[*:1]
CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C[C@]23C=C[C@H]1O3 Clc1ccccc1[*:1] CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C[C@]23C=C[C@H]1O3 CCOC(=O)[*:1] O=C1[C@H]2[C@H]([C@H]3C=C[C@]2(CN1c1ccccc1Cl)O3)[*:1]
CN(C)C(C)(C)[C@H]([NH3+])[C@H]1CCOC2(CCC2)C1 CN(C)[*:1] CC(C)([C@H]([NH3+])[C@H]1CCOC2(CCC2)C1)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC(C)(C)C(=O)N[*:1] C[C@@H](C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(F)c(c1)[*:1]
Cc1nn([C@H](C)C(=O)NCCC[NH+]2CCCCC2)c(=O)c2c(C)n(-c3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1nn(c(=O)c2c(C)n(nc12)[*:1])[C@H](C)C(=O)NCCC[NH+]1CCCCC1
Cc1noc(-c2cc[nH+]c(N3CCC(C[NH3+])CC3)c2)n1 Cc1noc(n1)[*:1] [NH3+]CC1CCN(CC1)c1cc(cc[nH+]1)[*:1]
CCOC(=O)C1CCN(C(=O)[C@H](C)n2cc(Br)cn2)CC1 CCOC(=O)[*:1] C[C@@H](C(=O)N1CCC(CC1)[*:1])n1cc(Br)cn1
CCOC(=O)C1CCN(C(=O)[C@H](C)n2cc(Br)cn2)CC1 Brc1cnn(c1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)[*:1]
O=C(CSCc1cccnc1)Oc1cccc(Cl)c1Cl c1cncc(c1)[*:1] O=C(CSC[*:1])Oc1cccc(Cl)c1Cl
O=C(NCc1cccs1)NNC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(NCc1cccs1)NNC(=O)[*:1]
O=C(NCc1cccs1)NNC(=O)[C@@H]1CCCO1 c1csc(c1)[*:1] O=C(NC[*:1])NNC(=O)[C@@H]1CCCO1
O=C(NCc1cccs1)NNC(=O)[C@@H]1CCCO1 c1csc(c1)C[*:1] O=C(NNC(=O)[C@@H]1CCCO1)N[*:1]
COC(=O)[C@@H]1C[C@H](O)CN1Cc1cccc(C)c1C COC(=O)[*:1] Cc1cccc(CN2C[C@@H](O)C[C@H]2[*:1])c1C
CCCC[C@@H](CC)C[C@H]([NH3+])[C@@H]1CSCCO1 CCCC[*:1] CC[C@@H](C[C@H]([NH3+])[C@@H]1CSCCO1)[*:1]
CCCC[C@@H](CC)C[C@H]([NH3+])[C@@H]1CSCCO1 CCC[*:1] CC[C@@H](C[C@H]([NH3+])[C@@H]1CSCCO1)C[*:1]
Nc1ccc2c(c1)CC[C@@H]2NC(=O)CCn1ccnc1 c1cn(cn1)[*:1] Nc1ccc2c(c1)CC[C@@H]2NC(=O)CC[*:1]
Nc1ccc2c(c1)CC[C@@H]2NC(=O)CCn1ccnc1 c1cn(cn1)C[*:1] Nc1ccc2c(c1)CC[C@@H]2NC(=O)C[*:1]
Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1cccc(c1)NC(=O)N[C@@H](C)[*:1]
C[C@H]1CCCN(C(=O)Nc2ccc(F)c(/C(N)=N/O)c2)C1 N/C(=N\O)[*:1] C[C@H]1CCCN(C1)C(=O)Nc1ccc(F)c(c1)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(cc2)N(C)S(=O)(=O)[*:1])c(C)c1
Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 Cc1cc(C)c(c(C)c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)O[C@H](C)C(=O)N[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)N1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N1CC[NH+](CC1)[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)N1CC[NH+](CC(C)C)CC1 CC(C)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N1CC[NH+](CC1)C[*:1]
CCOC(=O)c1ccccc1OC(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCOC(=O)c1ccccc1OC(=O)[*:1]
CCOC(=O)c1ccccc1OC(=O)c1cccc(C)c1 CCOC(=O)[*:1] Cc1cccc(c1)C(=O)Oc1ccccc1[*:1]
CC(=O)c1c[nH]c(C(=O)Nc2cccc(COC[C@@H]3CCCCO3)c2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)COC[C@@H]1CCCCO1)c1cc(c[nH]1)[*:1]
CC(=O)c1c[nH]c(C(=O)Nc2cccc(COC[C@@H]3CCCCO3)c2)c1 CC(=O)c1c[nH]c(c1)[*:1] O=C(Nc1cccc(c1)COC[C@@H]1CCCCO1)[*:1]
COc1cc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)ccn1 COc1cc(ccn1)[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)NC[*:1]
O=C(CSC[C@H](O)CO)Cc1ccccc1 OC[C@@H](O)[*:1] O=C(CSC[*:1])Cc1ccccc1
O=C(CSC[C@H](O)CO)Cc1ccccc1 OC[C@@H](O)C[*:1] O=C(CS[*:1])Cc1ccccc1
O=C(NNc1ccccc1[N+](=O)[O-])c1cc(Br)ccc1O O=[N+]([O-])[*:1] O=C(NNc1ccccc1[*:1])c1cc(Br)ccc1O
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(C)=O)C2)c2ccccc12 CC(=O)N[*:1] CCOc1ccc(c2ccccc12)S(=O)(=O)N1CCC[C@H](C1)C[*:1]
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(C)=O)C2)c2ccccc12 CC(=O)NC[*:1] CCOc1ccc(c2ccccc12)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(C)=O)C2)c2ccccc12 CCO[*:1] CC(=O)NC[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(c2ccccc12)[*:1]
C=CCN1COc2ccc3c(C)cc(=O)oc3c2C1 C=CC[*:1] Cc1cc(=O)oc2c3CN(COc3ccc12)[*:1]
COc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] COc1ccccc1NC(=O)Cn1cc(cn1)[*:1]
C[C@@H](NC(=O)c1ccncc1C#CC[NH3+])c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)c1ccncc1C#CC[NH3+])[*:1]
Nc1nc(-c2ccccc2C2CC2)ns1 C1CC1[*:1] Nc1nc(ns1)-c1ccccc1[*:1]
Cn1cc(-c2nc(C(=O)NC[C@H](O)c3ccc(F)cc3)cs2)cn1 Fc1ccc(cc1)[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)NC[C@H](O)[*:1]
Cn1cc(-c2nc(C(=O)NC[C@H](O)c3ccc(F)cc3)cs2)cn1 Cn1cc(cn1)[*:1] O=C(NC[C@H](O)c1ccc(F)cc1)c1csc(n1)[*:1]
O=C(NCCc1ccc(O)cc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(NCCc1ccc(O)cc1)[*:1]
CC(C)CCOc1ccnc(C(N)=[NH2+])c1 CC(C)C[*:1] NC(=[NH2+])c1cc(ccn1)OC[*:1]
CC(C)CCOc1ccnc(C(N)=[NH2+])c1 CC(C)CC[*:1] NC(=[NH2+])c1cc(ccn1)O[*:1]
CC(C)CCOc1ccnc(C(N)=[NH2+])c1 NC(=[NH2+])[*:1] CC(C)CCOc1ccnc(c1)[*:1]
CC(C)CCOc1ccnc(C(N)=[NH2+])c1 CC(C)[*:1] NC(=[NH2+])c1cc(ccn1)OCC[*:1]
C[C@H]1Cc2ccc(OC(F)(F)F)cc2[C@@H]1[NH3+] FC(F)(F)O[*:1] C[C@H]1Cc2ccc(cc2[C@@H]1[NH3+])[*:1]
C[C@H]1Cc2ccc(OC(F)(F)F)cc2[C@@H]1[NH3+] FC(F)(F)[*:1] C[C@H]1Cc2ccc(cc2[C@@H]1[NH3+])O[*:1]
CCOC(=O)N1[C@H](C(=O)N(C)[C@@H](C)CSC)CC[C@@H]1c1ccc(C)o1 CSC[C@H](C)[*:1] CCOC(=O)N1[C@@H](CC[C@@H]1c1ccc(C)o1)C(=O)N(C)[*:1]
CCOC(=O)N1[C@H](C(=O)N(C)[C@@H](C)CSC)CC[C@@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] CCOC(=O)N1[C@@H](CC[C@H]1[*:1])C(=O)N(C)[C@@H](C)CSC
CCOC(=O)N1[C@H](C(=O)N(C)[C@@H](C)CSC)CC[C@@H]1c1ccc(C)o1 CSC[*:1] CCOC(=O)N1[C@@H](CC[C@@H]1c1ccc(C)o1)C(=O)N(C)[C@@H](C)[*:1]
N/C(=N\OC(=O)c1ccc(F)cc1)c1cnn2cccnc12 Fc1ccc(cc1)[*:1] N/C(=N\OC(=O)[*:1])c1cnn2cccnc12
COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3Cl)nc3ccsc3c2=O)cc1 Cc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)-n1c(nc2ccsc2c1=O)SCC(=O)N[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3Cl)nc3ccsc3c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2[*:1])c(Cl)c1
C[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](NS(=O)(=O)c1cccc(c1)OC(F)(F)F)[*:1]
C[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)c1cccnc1 FC(F)(F)[*:1] C[C@@H](NS(=O)(=O)c1cccc(c1)O[*:1])c1cccnc1
C[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)c1cccnc1 FC(F)(F)O[*:1] C[C@@H](NS(=O)(=O)c1cccc(c1)[*:1])c1cccnc1
COCCCNC(=O)c1ccc(OC)cc1OC COC[*:1] COc1ccc(C(=O)NCC[*:1])c(c1)OC
COCCCNC(=O)c1ccc(OC)cc1OC COCCC[*:1] COc1ccc(C(=O)N[*:1])c(c1)OC
COCCCNC(=O)c1ccc(OC)cc1OC COCC[*:1] COc1ccc(C(=O)NC[*:1])c(c1)OC
Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3c(F)cccc3F)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCN1CCN(CC1)S(=O)(=O)[*:1])c1c(F)cccc1F
Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3c(F)cccc3F)CC2)cc1 Fc1cccc(F)c1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CCNC(=O)[*:1])CC1
Cc1ccc([C@@H](O)c2nccn2Cn2nnc3ccccc32)cc1 Cc1ccc(cc1)[*:1] O[C@@H](c1nccn1Cn1nnc2ccccc21)[*:1]
N#Cc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCCCC2)cc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)NCC1(CCCCC1)[*:1]
N#Cc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCCCC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCC1(CCCCC1)c1ccc(F)cc1)C(=O)N[*:1]
CC[C@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(C)cc1 C1CO[C@@H](C1)[*:1] CC[C@H](NC(=O)c1cnc(s1)[*:1])c1ccc(C)cc1
CC[C@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
Cc1ccc(C(=O)CCC(=O)N[C@@H](C)C(N)=O)s1 C[C@@H](C(N)=O)[*:1] Cc1ccc(s1)C(=O)CCC(=O)N[*:1]
Cc1ccc(C(=O)CCC(=O)N[C@@H](C)C(N)=O)s1 Cc1ccc(s1)[*:1] C[C@H](NC(=O)CCC(=O)[*:1])C(N)=O
Cc1ccc(C(=O)CCC(=O)N[C@@H](C)C(N)=O)s1 NC(=O)[*:1] Cc1ccc(s1)C(=O)CCC(=O)N[C@@H](C)[*:1]
CN(C)C(=O)c1ccc(N[C@H]2CCc3c(O)cccc32)nc1 CN(C)C(=O)[*:1] Oc1cccc2c1CC[C@@H]2Nc1ccc(cn1)[*:1]
Cc1ccccc1-n1ncc(C(=O)N(C)c2c(C)noc2C)c1C Cc1ccccc1[*:1] Cc1noc(C)c1N(C)C(=O)c1cnn(c1C)[*:1]
Cc1ccccc1-n1ncc(C(=O)N(C)c2c(C)noc2C)c1C Cc1noc(C)c1[*:1] Cc1ccccc1-n1ncc(C(=O)N(C)[*:1])c1C
Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C1N(CCN1C1CCN(CC1)S(=O)(=O)[*:1])Cc1ccccc1
Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)N1CCN(C[*:1])C1=O
Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)c(C)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)N1CCN(C1=O)[*:1]
COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 Cc1cc(C)c(c(C)c1)[*:1] COc1ccc(cc1)N1C(=O)C(=O)N(CC(=O)N[*:1])C1=O
COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CN2C(=O)C(=O)N(C2=O)[*:1])c(C)c1
COC(=O)[C@]1(F)CCN(C(=O)c2c(C)cc(C)cc2C)C1 COC(=O)[*:1] Cc1cc(C)c(C(=O)N2CC[C@@](F)(C2)[*:1])c(C)c1
CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCc3ccccc32)cc1 CCN(CC)S(=O)(=O)[*:1] O=C(NC[C@@]1(O)CCc2ccccc21)c1ccc(cc1)[*:1]
CC(C)OCCS(=O)(=O)N1CCc2ccccc2C1 CC(C)O[*:1] O=S(=O)(CC[*:1])N1CCc2ccccc2C1
CC(C)OCCS(=O)(=O)N1CCc2ccccc2C1 CC(C)[*:1] O=S(=O)(CCO[*:1])N1CCc2ccccc2C1
CC(C)OCCS(=O)(=O)N1CCc2ccccc2C1 CC(C)OCC[*:1] O=S(=O)(N1CCc2ccccc2C1)[*:1]
CC(C)OCCS(=O)(=O)N1CCc2ccccc2C1 CC(C)OC[*:1] O=S(=O)(C[*:1])N1CCc2ccccc2C1
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 c1cc2OCCOc2cc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCCN(CC1)S(=O)(=O)[*:1]
COc1ccc([C@H](NC(=O)NCc2ccncc2)c2ccccc2)cc1 c1cc(ccn1)C[*:1] COc1ccc(cc1)[C@H](NC(=O)N[*:1])c1ccccc1
COc1ccc([C@H](NC(=O)NCc2ccncc2)c2ccccc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)[C@H](NC(=O)NC[*:1])c1ccccc1
COc1ccc([C@H](NC(=O)NCc2ccncc2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccncc1)N[C@H](c1ccccc1)[*:1]
COc1ccc([C@H](NC(=O)NCc2ccncc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](NC(=O)NCc1ccncc1)[*:1]
CC(C)C[C@H](C[NH3+])c1nc2ccc(F)cc2n1C1CC1 CC(C)[*:1] [NH3+]C[C@@H](C[*:1])c1nc2ccc(F)cc2n1C1CC1
CC(C)C[C@H](C[NH3+])c1nc2ccc(F)cc2n1C1CC1 C1CC1[*:1] CC(C)C[C@H](C[NH3+])c1nc2ccc(F)cc2n1[*:1]
CC(C)C[C@H](C[NH3+])c1nc2ccc(F)cc2n1C1CC1 CC(C)C[*:1] [NH3+]C[C@H](c1nc2ccc(F)cc2n1C1CC1)[*:1]
Cc1cc(Cl)ccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O Clc1ccc(Cl)c(c1)[*:1] Cc1cc(Cl)ccc1NC(=O)CN(S(C)(=O)=O)[*:1]
Cc1cc(Cl)ccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O Cc1cc(Cl)ccc1[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1cc(Cl)ccc1Cl
O=C(COc1ccccc1F)N1CCn2cccc2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccccc1F)N1CCn2cccc2[C@H]1[*:1]
O=C(COc1ccccc1F)N1CCn2cccc2[C@@H]1c1ccccc1 Fc1ccccc1[*:1] O=C(CO[*:1])N1CCn2cccc2[C@@H]1c1ccccc1
O=C(COc1ccccc1F)N1CCn2cccc2[C@@H]1c1ccccc1 Fc1ccccc1O[*:1] O=C(C[*:1])N1CCn2cccc2[C@@H]1c1ccccc1
COc1cccc(C(=O)NCc2cc(-c3ccc(OC)c(OC)c3)on2)c1 COc1cccc(c1)[*:1] COc1ccc(cc1OC)-c1cc(CNC(=O)[*:1])no1
O=C(C1CC1)N1CCCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccccc4[N+](=O)[O-])n23)CC1 O=[N+]([O-])[*:1] O=C(C1CC1)N1CCCN(CC1)c1nc2cc(Cl)ccc2c2nnc(-c3ccccc3[*:1])n12
O=C(C1CC1)N1CCCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccccc4[N+](=O)[O-])n23)CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(C1CC1)N1CCCN(CC1)c1nc2cc(Cl)ccc2c2nnc(n12)[*:1]
O=C(C1CC1)N1CCCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccccc4[N+](=O)[O-])n23)CC1 C1CC1[*:1] O=C(N1CCCN(CC1)c1nc2cc(Cl)ccc2c2nnc(-c3ccccc3[N+](=O)[O-])n12)[*:1]
O=C(NCCCN1CCOCC1)C1(c2ccccc2)CCOCC1 C1CN(CCO1)CC[*:1] O=C(NC[*:1])C1(CCOCC1)c1ccccc1
O=C(NCCCN1CCOCC1)C1(c2ccccc2)CCOCC1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])C1(CCOCC1)c1ccccc1
O=C(NCCCN1CCOCC1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(NCCCN1CCOCC1)C1(CCOCC1)[*:1]
O=C(NCCCN1CCOCC1)C1(c2ccccc2)CCOCC1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])C1(CCOCC1)c1ccccc1
Cc1ccc(-c2nc(CSCC(=O)Nc3cc(C)cc(C)c3)no2)cc1 Cc1cc(C)cc(c1)[*:1] Cc1ccc(cc1)-c1nc(CSCC(=O)N[*:1])no1
Cc1ccc(-c2nc(CSCC(=O)Nc3cc(C)cc(C)c3)no2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CSCc1noc(n1)[*:1]
COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1Cl)C2=O COC(=O)[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1Cc1ccccc1Cl)[*:1])C(=O)NC1CCCCCC1
COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1Cl)C2=O Clc1ccccc1[*:1] COC(=O)c1cc2C(=O)N(C[*:1])[C@](C)(Cn2n1)C(=O)NC1CCCCCC1
COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1Cl)C2=O C1CCCC(CC1)[*:1] COC(=O)c1cc2C(=O)N(Cc3ccccc3Cl)[C@](C)(Cn2n1)C(=O)N[*:1]
COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1Cl)C2=O O=C(NC1CCCCCC1)[*:1] COC(=O)c1cc2C(=O)N(Cc3ccccc3Cl)[C@@](C)(Cn2n1)[*:1]
COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1Cl)C2=O Clc1ccccc1C[*:1] COC(=O)c1cc2C(=O)N([C@](C)(Cn2n1)C(=O)NC1CCCCCC1)[*:1]
CC(=O)Nc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1F CC(=O)N[*:1] C[C@H](CNS(=O)(=O)c1ccc(F)c(c1)[*:1])C[NH+]1CCCC1
CCc1cc(C#N)c(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)s1 FC(F)(F)[*:1] CCc1cc(C#N)c(NC(=O)[C@H]2CCCN(C2)C[*:1])s1
CCc1cc(C#N)c(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)s1 FC(F)(F)C[*:1] CCc1cc(C#N)c(NC(=O)[C@H]2CCCN(C2)[*:1])s1
CC(C)n1cc([C@@H](C)N[C@@H](Cc2ccccc2)C(F)(F)F)cn1 c1ccc(cc1)[*:1] CC(C)n1cc(cn1)[C@@H](C)N[C@@H](C[*:1])C(F)(F)F
CC(C)n1cc([C@@H](C)N[C@@H](Cc2ccccc2)C(F)(F)F)cn1 FC(F)(F)[*:1] CC(C)n1cc(cn1)[C@@H](C)N[C@@H](Cc1ccccc1)[*:1]
CC(C)n1cc([C@@H](C)N[C@@H](Cc2ccccc2)C(F)(F)F)cn1 CC(C)[*:1] C[C@@H](N[C@@H](Cc1ccccc1)C(F)(F)F)c1cnn(c1)[*:1]
CC(C)n1cc([C@@H](C)N[C@@H](Cc2ccccc2)C(F)(F)F)cn1 c1ccc(cc1)C[*:1] CC(C)n1cc(cn1)[C@@H](C)N[C@@H](C(F)(F)F)[*:1]
N#Cc1cccc(CNCCc2cnn(-c3ccccc3)c2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)CNCCc1cnn(c1)[*:1]
O=C(NCCc1nnc2n1CCC2)N[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCCc1nnc2CCCn21)N[C@H]1CCC[C@@H](C1)[*:1]
O=C(NCCc1nnc2n1CCC2)N[C@H]1CCC[C@@H](C(F)(F)F)C1 C1Cc2nnc(n2C1)[*:1] O=C(NCC[*:1])N[C@H]1CCC[C@H](C1)C(F)(F)F
C=CCSC1=NC(=O)[C@@H]2C(=N1)N=C1CCCC([O-])=C1[C@H]2c1cccs1 c1csc(c1)[*:1] C=CCSC1=NC(=O)[C@@H]2C(N=C3CCCC([O-])=C3[C@@H]2[*:1])=N1
C=CCSC1=NC(=O)[C@@H]2C(=N1)N=C1CCCC([O-])=C1[C@H]2c1cccs1 C=CC[*:1] O=C1N=C(N=C2N=C3CCCC([O-])=C3[C@@H](c3cccs3)[C@H]12)S[*:1]
CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)C12CCC2 CO[C@H](C)[*:1] CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(c2)[*:1])C12CCC2
CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)C12CCC2 CCO[*:1] CO[C@H](C)c1cccc(c1)NC(=O)C(=O)N[C@H]1C[C@H](C12CCC2)[*:1]
CC(C)c1cnc(CSc2nc3ccccc3s2)o1 CC(C)[*:1] c1ccc2sc(nc2c1)SCc1ncc(o1)[*:1]
CC(C)[C@H](NC(=O)c1cc2ccncc2cn1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@H](NC(=O)c1cc2ccncc2cn1)[*:1]
CC(C)[C@H](NC(=O)c1cc2ccncc2cn1)C(=O)N1CCOCC1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCOCC1)[*:1])c1cc2ccncc2cn1
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccc(F)cc1Cl Clc1ccc(cn1)[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1ccc(F)cc1Cl
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)[*:1]
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccccc1 Fc1cccc(Cl)c1[*:1] CS(=O)(=O)N(CC(=O)NN=C[*:1])c1ccccc1
CC[C@@H](C)C(=O)N(C)CC(C)(C)C[NH3+] CC[C@@H](C)[*:1] CN(CC(C)(C)C[NH3+])C(=O)[*:1]
COC(=O)c1ccc(C(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 COC(=O)[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc(cc1)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] CCc1nn(C)c(OC)c1CNC(=O)[C@@H]1CCCN1C(=O)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NNC(=O)NCc2ccc(Cl)cc2)C1 Clc1ccc(cc1)C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NNC(=O)N[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NNC(=O)NCc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NNC(=O)NC[*:1]
O=C(Nc1ccc(N2CCOCC2)cc1C(=O)[O-])c1ccccc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1[*:1])N1CCOCC1)c1ccccc1
O=C(Nc1ccc(N2CCOCC2)cc1C(=O)[O-])c1ccccc1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1C(=O)[O-])[*:1])c1ccccc1
O=C(Nc1ccc(N2CCOCC2)cc1C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1cc(ccc1NC(=O)[*:1])N1CCOCC1
Cc1cc(C)n(CCC(=O)NC2(c3ccc(F)cc3)CCCC2)n1 Fc1ccc(cc1)[*:1] Cc1cc(C)n(CCC(=O)NC2(CCCC2)[*:1])n1
Cc1cc(C)n(CCC(=O)NC2(c3ccc(F)cc3)CCCC2)n1 Cc1cc(C)n(C[*:1])n1 O=C(C[*:1])NC1(CCCC1)c1ccc(F)cc1
Cc1cc(C)n(CCC(=O)NC2(c3ccc(F)cc3)CCCC2)n1 Cc1cc(C)n(n1)[*:1] O=C(CC[*:1])NC1(CCCC1)c1ccc(F)cc1
COc1ccc2nc(NCc3ncccc3C)c(C)cc2c1 Cc1cccnc1[*:1] COc1ccc2nc(NC[*:1])c(C)cc2c1
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[C@@H]1CCN(C1)c1ccc(F)cc1)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[C@@H]1CCN(C1)[*:1])[N+](=O)[O-]
Cc1ccsc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc2c(c1)OCO2)C3 c1cc2OCOc2cc1C[*:1] Cc1ccsc1/C=C1\Oc2c3CN(COc3cc(C)c2C1=O)[*:1]
Cc1ccsc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc2c(c1)OCO2)C3 c1cc2OCOc2cc1[*:1] Cc1ccsc1/C=C1\Oc2c3CN(COc3cc(C)c2C1=O)C[*:1]
Cc1ccsc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccc2c(c1)OCO2)C3 Cc1ccsc1[*:1] Cc1cc2OCN(Cc3ccc4OCOc4c3)Cc2c2OC(=C[*:1])C(=O)c12
O=C(c1ccn(-c2cccc(F)c2)n1)N1CCO[C@H](c2ccc(Br)cc2)C1 Fc1cccc(c1)[*:1] O=C(c1ccn(n1)[*:1])N1CCO[C@@H](C1)c1ccc(Br)cc1
O=C(c1ccn(-c2cccc(F)c2)n1)N1CCO[C@H](c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] O=C(c1ccn(n1)-c1cccc(F)c1)N1CCO[C@H](C1)[*:1]
COc1ccc([C@@H](NC[C@H](O)c2cnn(C)c2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC[C@H](O)c1cnn(C)c1)[*:1]
COc1ccc([C@@H](NC[C@H](O)c2cnn(C)c2)C(C)C)cc1 Cn1cc(cn1)[*:1] COc1ccc(cc1)[C@@H](NC[C@H](O)[*:1])C(C)C
CCN(CC(C)C)c1c(C#N)c(=O)n(C)c(=O)n1C CC(C)[*:1] CCN(C[*:1])c1c(C#N)c(=O)n(C)c(=O)n1C
CCN(CC(C)C)c1c(C#N)c(=O)n(C)c(=O)n1C CC(C)C[*:1] CCN(c1c(C#N)c(=O)n(C)c(=O)n1C)[*:1]
COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(C[*:1])C1=S
COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CN1C(=S)N(C)C(=O)[C@@H]1CC(=O)N[*:1]
COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 COc1ccc(cc1)C[*:1] CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(C1=S)[*:1]
O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1C[C@H]2CC[C@@H]1O2 c1ccc(cc1)[*:1] O=C(Oc1ccc(cc1)[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
C[C@H]1CCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C[C@H]1O CS(=O)(=O)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)N[C@@H](C[*:1])c1ccccc1
C[C@H]1CCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C[C@H]1O CS(=O)(=O)C[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)N[C@@H](c1ccccc1)[*:1]
C[C@H]1CCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C[C@H]1O c1ccc(cc1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)N[C@@H](CS(C)(=O)=O)[*:1]
COc1cc(OC)c(NC(=O)NCc2ccc(C)cc2N(C)C)cc1F CN(C)[*:1] COc1cc(OC)c(cc1F)NC(=O)NCc1ccc(C)cc1[*:1]
C[C@H](OC(=O)c1cccnc1Cl)c1ccccc1N(C)C CN(C)[*:1] C[C@H](OC(=O)c1cccnc1Cl)c1ccccc1[*:1]
C[C@H](OC(=O)c1cccnc1Cl)c1ccccc1N(C)C Clc1ncccc1[*:1] C[C@H](OC(=O)[*:1])c1ccccc1N(C)C
COC(=O)c1ccc(-c2nc(COc3ccc(C#N)cc3OC)cs2)cc1 COC(=O)[*:1] COc1cc(C#N)ccc1OCc1csc(n1)-c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4cccc(Br)c4)C3)C2)nc1 Cc1ccc(nc1)NC(=O)[*:1] O=C([C@H]1CC(=O)N(C1)c1cccc(Br)c1)N1CCC[C@@H](C1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4cccc(Br)c4)C3)C2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)[C@H]1CC(=O)N(C1)c1cccc(Br)c1
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4cccc(Br)c4)C3)C2)nc1 Brc1cccc(c1)[*:1] Cc1ccc(nc1)NC(=O)[C@H]1CCCN(C1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(CCN1C(=O)c2ccccc2C1=O)NCCc1cccs1 c1csc(c1)[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)NCC[*:1]
O=C(CCN1C(=O)c2ccccc2C1=O)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)N[*:1]
O=C(CCN1C(=O)c2ccccc2C1=O)NCCc1cccs1 c1csc(c1)C[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)NC[*:1]
Cn1cnc(CNC(=O)c2[nH]c3ccccc3c2Br)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])c1[nH]c2ccccc2c1Br
O=C(c1cccnc1)N1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1cccnc1)N1CCCC[C@H]1[*:1]
O=C(c1cccnc1)N1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1cccnc1)N1CCCC[C@@H]1C[*:1]
O=C(c1cccnc1)N1CCCC[C@@H]1Cc1ccccc1 c1cncc(c1)[*:1] O=C(N1CCCC[C@@H]1Cc1ccccc1)[*:1]
O=C(NCCC(F)(F)F)N1CCC[C@H]2CCC[C@H]21 FC(F)(F)CC[*:1] O=C(N[*:1])N1CCC[C@H]2CCC[C@H]21
O=C(NCCC(F)(F)F)N1CCC[C@H]2CCC[C@H]21 FC(F)(F)[*:1] O=C(NCC[*:1])N1CCC[C@H]2CCC[C@H]21
O=C(NCCC(F)(F)F)N1CCC[C@H]2CCC[C@H]21 FC(F)(F)C[*:1] O=C(NC[*:1])N1CCC[C@H]2CCC[C@H]21
CN(C)Cc1nc(C[NH2+]C(C)(C)C)cc(=O)[nH]1 CN(C)[*:1] CC(C)(C)[NH2+]Cc1cc(=O)[nH]c(C[*:1])n1
CN(C)Cc1nc(C[NH2+]C(C)(C)C)cc(=O)[nH]1 CC(C)(C)[*:1] CN(C)Cc1nc(cc(=O)[nH]1)C[NH2+][*:1]
CN(C)Cc1nc(C[NH2+]C(C)(C)C)cc(=O)[nH]1 CN(C)C[*:1] CC(C)(C)[NH2+]Cc1cc(=O)[nH]c(n1)[*:1]
CN(CC#N)Cc1ccc(SC(=O)N(C)C)cc1 CN(C)C(=O)S[*:1] CN(CC#N)Cc1ccc(cc1)[*:1]
CN(CC#N)Cc1ccc(SC(=O)N(C)C)cc1 CN(CC#N)C[*:1] CN(C)C(=O)Sc1ccc(cc1)[*:1]
CN(CC#N)Cc1ccc(SC(=O)N(C)C)cc1 CN(CC#N)[*:1] CN(C)C(=O)Sc1ccc(cc1)C[*:1]
CN(CC#N)Cc1ccc(SC(=O)N(C)C)cc1 N#CC[*:1] CN(C)C(=O)Sc1ccc(cc1)CN(C)[*:1]
CN(C(=O)c1cccc(-n2cccc2)c1)c1ccc(S(C)(=O)=O)cc1 c1ccn(c1)[*:1] CN(C(=O)c1cccc(c1)[*:1])c1ccc(cc1)S(C)(=O)=O
CN(C(=O)c1cccc(-n2cccc2)c1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CN(C(=O)c1cccc(c1)-n1cccc1)c1ccc(cc1)[*:1]
Cc1cccc2nc(CN3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)cc(=O)n12 O=C(N1CCCCC1)[*:1] Cc1cccc2nc(cc(=O)n12)CN1C[C@H](Oc2ccccc21)[*:1]
Cc1cscc1-c1noc(-c2cc(Cl)cc(Cl)c2N)n1 Cc1cscc1[*:1] Nc1c(Cl)cc(Cl)cc1-c1nc(no1)[*:1]
O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1nc2ccc(F)cc2s1 Clc1ccccc1[*:1] O=C(CCc1ncc(o1)[*:1])Nc1nc2ccc(F)cc2s1
CCn1cc[nH+]c1CNC[C@@H]1C=NN=C1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCn1cc[nH+]c1CNC[C@@H]1C=NN=C1[*:1]
CC(C)CCNC(=O)[C@@H](C)Oc1ccc(-c2cnc3ccccc3n2)cc1 CC(C)CC[*:1] C[C@@H](Oc1ccc(cc1)-c1cnc2ccccc2n1)C(=O)N[*:1]
CC(C)CCNC(=O)[C@@H](C)Oc1ccc(-c2cnc3ccccc3n2)cc1 CC(C)C[*:1] C[C@@H](Oc1ccc(cc1)-c1cnc2ccccc2n1)C(=O)NC[*:1]
CC(C)CCNC(=O)[C@@H](C)Oc1ccc(-c2cnc3ccccc3n2)cc1 CC(C)CCNC(=O)[*:1] C[C@@H](Oc1ccc(cc1)-c1cnc2ccccc2n1)[*:1]
CC(C)CCNC(=O)[C@@H](C)Oc1ccc(-c2cnc3ccccc3n2)cc1 CC(C)[*:1] C[C@@H](Oc1ccc(cc1)-c1cnc2ccccc2n1)C(=O)NCC[*:1]
CCOC(=O)c1cnn(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)c1N CCOC(=O)[*:1] Nc1c(cnn1C1CCN(CC1)C(=O)C[C@H]1C=CCC1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(C)[C@H]2c2ccc(OC(C)C)cc2)cc1F COc1ccc(cc1F)[*:1] CC(C)Oc1ccc(cc1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C
COc1ccc(C(=O)C2=C([O-])C(=O)N(C)[C@H]2c2ccc(OC(C)C)cc2)cc1F CC(C)[*:1] COc1ccc(cc1F)C(=O)C1=C([O-])C(=O)N(C)[C@H]1c1ccc(cc1)O[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(C)[C@H]2c2ccc(OC(C)C)cc2)cc1F CC(C)O[*:1] COc1ccc(cc1F)C(=O)C1=C([O-])C(=O)N(C)[C@H]1c1ccc(cc1)[*:1]
COCCOc1cccc(NC(=O)N[C@H]2C[C@@H]2C)c1 COCC[*:1] C[C@H]1C[C@@H]1NC(=O)Nc1cccc(c1)O[*:1]
COCCOc1cccc(NC(=O)N[C@H]2C[C@@H]2C)c1 COC[*:1] C[C@H]1C[C@@H]1NC(=O)Nc1cccc(c1)OC[*:1]
COCCOc1cccc(NC(=O)N[C@H]2C[C@@H]2C)c1 COCCO[*:1] C[C@H]1C[C@@H]1NC(=O)Nc1cccc(c1)[*:1]
CNc1nc2ncnc(N(C)C)c2[nH]1 CN(C)[*:1] CNc1nc2ncnc(c2[nH]1)[*:1]
NC(=O)c1cccc(OCC(=O)N2CCCC[C@@H]2Cn2cccn2)c1 c1cnn(c1)C[*:1] NC(=O)c1cccc(c1)OCC(=O)N1CCCC[C@H]1[*:1]
NC(=O)c1cccc(OCC(=O)N2CCCC[C@@H]2Cn2cccn2)c1 NC(=O)[*:1] O=C(COc1cccc(c1)[*:1])N1CCCC[C@@H]1Cn1cccn1
NC(=O)c1cccc(OCC(=O)N2CCCC[C@@H]2Cn2cccn2)c1 c1cnn(c1)[*:1] NC(=O)c1cccc(c1)OCC(=O)N1CCCC[C@@H]1C[*:1]
Cc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n(N)c1=O Cc1nnc(n(N)c1=O)[*:1] O=C(CS[*:1])Nc1ccc(cc1)Oc1ccccc1
Cc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n(N)c1=O c1ccc(cc1)O[*:1] Cc1nnc(SCC(=O)Nc2ccc(cc2)[*:1])n(N)c1=O
Cc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n(N)c1=O c1ccc(cc1)[*:1] Cc1nnc(SCC(=O)Nc2ccc(cc2)O[*:1])n(N)c1=O
CCNC(=O)[C@H](C)NC(=O)CCc1ncc(-c2ccc(C)cc2)o1 Cc1ccc(cc1)[*:1] CCNC(=O)[C@H](C)NC(=O)CCc1ncc(o1)[*:1]
CCNC(=O)[C@H](C)NC(=O)CCc1ncc(-c2ccc(C)cc2)o1 CCNC(=O)[*:1] Cc1ccc(cc1)-c1cnc(CCC(=O)N[C@@H](C)[*:1])o1
CCNC(=O)[C@H](C)NC(=O)CCc1ncc(-c2ccc(C)cc2)o1 CCNC(=O)[C@H](C)[*:1] Cc1ccc(cc1)-c1cnc(CCC(=O)N[*:1])o1
CCc1c(C)nc2n(c1=O)CN(CCC(C)C)CN2c1ccc(OC)cc1 CC(C)C[*:1] CCc1c(C)nc2N(CN(Cn2c1=O)C[*:1])c1ccc(cc1)OC
CCc1c(C)nc2n(c1=O)CN(CCC(C)C)CN2c1ccc(OC)cc1 CC(C)[*:1] CCc1c(C)nc2N(CN(CC[*:1])Cn2c1=O)c1ccc(cc1)OC
CCc1c(C)nc2n(c1=O)CN(CCC(C)C)CN2c1ccc(OC)cc1 CC(C)CC[*:1] CCc1c(C)nc2N(CN(Cn2c1=O)[*:1])c1ccc(cc1)OC
CCc1c(C)nc2n(c1=O)CN(CCC(C)C)CN2c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCc1c(C)nc2N(CN(CCC(C)C)Cn2c1=O)[*:1]
Nc1ccc([S@](=O)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 O=[N+]([O-])[*:1] Nc1ccc(cc1)[S@](=O)Cc1ccc(c(F)c1)[*:1]
C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)c1cnc(-c2cnn(C)c2)s1 Cn1cc(cn1)[*:1] C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)c1cnc(s1)[*:1]
Cc1cc(C)cc(NC(=O)CCCC[C@H]2[C@H]3NC(=O)N[C@@H]3CS2(=O)=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(CCCC[C@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)N[*:1]
CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OCC(F)F)nc1 CCS[*:1] O=C(N[C@H]1CCC[C@H]1[*:1])c1ccc(nc1)OCC(F)F
CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(nc1)O[*:1]
CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OCC(F)F)nc1 FC(F)[*:1] CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(nc1)OC[*:1]
CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(nc1)[*:1]
COc1cccc(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)NC[C@H]1CN(CCO1)C[*:1]
COc1cccc(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 COc1cccc(c1)[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)NC[*:1]
COc1cccc(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)CNC(=O)NC[C@H]1CN(CCO1)[*:1]
COc1cccc(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 COc1cccc(c1)C[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)N[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)CSc1ncc(C#N)c(N)n1 C[C@H]1CCCC[C@H]1[*:1] N#Cc1cnc(nc1N)SCC(=O)N[*:1]
CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O c1ccc(cc1)[*:1] CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(cc2)O[*:1])C1=O
CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O c1ccc(cc1)O[*:1] CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O
CCOCC(=O)N1CCC[C@H]1CC(C)=O CCOC[*:1] CC(=O)C[C@@H]1CCCN1C(=O)[*:1]
CCOCC(=O)N1CCC[C@H]1CC(C)=O CC(=O)[*:1] CCOCC(=O)N1CCC[C@H]1C[*:1]
CCOCC(=O)N1CCC[C@H]1CC(C)=O CCO[*:1] CC(=O)C[C@@H]1CCCN1C(=O)C[*:1]
CCOCC(=O)N1CCC[C@H]1CC(C)=O CC(=O)C[*:1] CCOCC(=O)N1CCC[C@@H]1[*:1]
CCc1nn(C)c(C(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1C CCc1nn(C)c(c1C)[*:1] O=C(N1CC[C@H](C1)c1nc(cc(=O)[nH]1)-c1ccncc1)[*:1]
CCc1nn(C)c(C(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1C c1cc(ccn1)[*:1] CCc1nn(C)c(C(=O)N2CC[C@H](C2)c2nc(cc(=O)[nH]2)[*:1])c1C
Cc1ccccc1-n1nc2c(c1NC(=O)C(C)(C)C)CSC2 CC(C)(C)C(=O)N[*:1] Cc1ccccc1-n1nc2CSCc2c1[*:1]
Cc1ccccc1-n1nc2c(c1NC(=O)C(C)(C)C)CSC2 Cc1ccccc1[*:1] CC(C)(C)C(=O)Nc1c2CSCc2nn1[*:1]
Cc1ccccc1-n1nc2c(c1NC(=O)C(C)(C)C)CSC2 CC(C)(C)[*:1] Cc1ccccc1-n1nc2CSCc2c1NC(=O)[*:1]
C/[NH+]=C(/NCC(=O)Nc1cccc(F)c1)NCc1cccs1 Fc1cccc(c1)[*:1] C/[NH+]=C(/NCC(=O)N[*:1])NCc1cccs1
C/[NH+]=C(/NCC(=O)Nc1cccc(F)c1)NCc1cccs1 c1csc(c1)C[*:1] C/[NH+]=C(/NCC(=O)Nc1cccc(F)c1)N[*:1]
C/[NH+]=C(/NCC(=O)Nc1cccc(F)c1)NCc1cccs1 c1csc(c1)[*:1] C/[NH+]=C(/NCC(=O)Nc1cccc(F)c1)NC[*:1]
Cc1ccc(C(=O)C2=NN(c3ccccc3)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)C1=NN([C@H]2C(=O)N(C(=O)[C@H]12)c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)C2=NN(c3ccccc3)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(C(=O)[C@H]12)[*:1]
Cc1ccc(C(=O)C2=NN(c3ccccc3)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 Cc1ccc(cc1)[*:1] O=C1[C@@H]2C(=NN(c3ccccc3)[C@H]2C(=O)N1c1cccc(c1)[N+](=O)[O-])C(=O)[*:1]
Cc1ccc(C(=O)C2=NN(c3ccccc3)[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(C(=O)[C@H]12)c1cccc(c1)[*:1]
CN(C)c1c(Cl)cccc1NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 CN(C)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)Nc1cccc(Cl)c1[*:1]
C[C@H]1COc2ccccc2N1C(=O)c1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] C[C@H]1COc2ccccc2N1C(=O)c1cccc(c1)[*:1]
C[C@H]1COc2ccccc2N1C(=O)c1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] C[C@H]1COc2ccccc2N1C(=O)c1cccc(c1)C[*:1]
Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1nc3ccccc3n1C(C)C)CCC2 CC(C)[*:1] Cc1nc2CCC[C@@H]([NH2+][C@@H](C)c3nc4ccccc4n3[*:1])c2s1
OC[C@@H](O)[C@@H](O)[C@H](O)c1nnc2ccccc2n1 OC[C@@H](O)[*:1] O[C@@H]([C@H](O)c1nnc2ccccc2n1)[*:1]
COc1cc(OC)c([C@H]2N=C3C=NN(CC4CC4)[C@H]3N2)cc1Cl C1CC1[*:1] COc1cc(OC)c(cc1Cl)[C@H]1N=C2C=NN(C[*:1])[C@H]2N1
COc1cc(OC)c([C@H]2N=C3C=NN(CC4CC4)[C@H]3N2)cc1Cl C1CC1C[*:1] COc1cc(OC)c(cc1Cl)[C@H]1N=C2C=NN([C@H]2N1)[*:1]
CC[C@@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)OC COC(=O)[*:1] CC[C@@H](NS(=O)(=O)c1cc(F)c(F)c(F)c1)[*:1]
CCOC(=O)[C@@H]1C(=O)N=C(N2CC[NH+](C)CC2)N[C@H]1c1cccc(C)c1 CCOC(=O)[*:1] Cc1cccc(c1)[C@@H]1NC(=NC(=O)[C@H]1[*:1])N1CC[NH+](C)CC1
CCOC(=O)[C@@H]1C(=O)N=C(N2CC[NH+](C)CC2)N[C@H]1c1cccc(C)c1 Cc1cccc(c1)[*:1] CCOC(=O)[C@@H]1C(=O)N=C(N[C@@H]1[*:1])N1CC[NH+](C)CC1
O=C(C1CCN(c2nc3ccccc3s2)CC1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(C1CCN(CC1)c1nc2ccccc2s1)N1CCOC[C@H]1[*:1]
Cc1c(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)nnn1-c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] Cc1c(nnn1-c1ccc(Cl)cc1)C(=O)N1CC(=O)N(C[*:1])C(=O)C1
Cc1c(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)nnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1
Cc1c(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)nnn1-c1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cc1c(nnn1-c1ccc(Cl)cc1)C(=O)N1CC(=O)N(CC[*:1])C(=O)C1
Cc1c(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)nnn1-c1ccc(Cl)cc1 c1ccc(cc1)CC[*:1] Cc1c(nnn1-c1ccc(Cl)cc1)C(=O)N1CC(=O)N(C(=O)C1)[*:1]
CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)COC)n1 COC[*:1] CCc1nccn1-c1cccc(n1)[C@@H]1CCCN1C(=O)[*:1]
CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)COC)n1 CCc1nccn1[*:1] COCC(=O)N1CCC[C@H]1c1cccc(n1)[*:1]
O=C(COC(=O)/C=C/c1nc2ccccc2s1)Nc1c(Cl)cccc1C(F)(F)F c1ccc2sc(nc2c1)[*:1] O=C(COC(=O)C=C[*:1])Nc1c(Cl)cccc1C(F)(F)F
O=C(COC(=O)/C=C/c1nc2ccccc2s1)Nc1c(Cl)cccc1C(F)(F)F FC(F)(F)[*:1] O=C(COC(=O)/C=C/c1nc2ccccc2s1)Nc1c(Cl)cccc1[*:1]
N#C[C@H]1CN(C(=O)Cc2ccc(Cl)nc2)CCN1Cc1ccccc1 c1ccc(cc1)C[*:1] N#C[C@H]1CN(CCN1[*:1])C(=O)Cc1ccc(Cl)nc1
N#C[C@H]1CN(C(=O)Cc2ccc(Cl)nc2)CCN1Cc1ccccc1 Clc1ccc(cn1)C[*:1] N#C[C@H]1CN(CCN1Cc1ccccc1)C(=O)[*:1]
N#C[C@H]1CN(C(=O)Cc2ccc(Cl)nc2)CCN1Cc1ccccc1 c1ccc(cc1)[*:1] N#C[C@H]1CN(CCN1C[*:1])C(=O)Cc1ccc(Cl)nc1
N#C[C@H]1CN(C(=O)Cc2ccc(Cl)nc2)CCN1Cc1ccccc1 Clc1ccc(cn1)[*:1] N#C[C@H]1CN(CCN1Cc1ccccc1)C(=O)C[*:1]
Cc1nc(NC(=O)NCc2cc3ccccc3s2)nn1C Cc1nc(nn1C)[*:1] O=C(NCc1cc2ccccc2s1)N[*:1]
O=C(NCC(=O)N1CCc2nnc(-c3ccccn3)n2CC1)c1ccco1 O=C(NC[*:1])c1ccco1 O=C(N1CCc2nnc(-c3ccccn3)n2CC1)[*:1]
O=C(NCC(=O)N1CCc2nnc(-c3ccccn3)n2CC1)c1ccco1 c1ccc(nc1)[*:1] O=C(NCC(=O)N1CCc2nnc(n2CC1)[*:1])c1ccco1
O=C(NCC(=O)N1CCc2nnc(-c3ccccn3)n2CC1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(C[*:1])N1CCc2nnc(-c3ccccn3)n2CC1
O=C(NCC(=O)N1CCc2nnc(-c3ccccn3)n2CC1)c1ccco1 c1coc(c1)[*:1] O=C(CNC(=O)[*:1])N1CCc2nnc(-c3ccccn3)n2CC1
Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc(F)cc3)ccc12 Fc1ccc(cc1)[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)NC[*:1]
Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc(F)cc3)ccc12 Fc1ccc(cc1)C[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)N[*:1]
CC(C)c1noc(CCC(=O)NC[C@@H](C)N2CCc3ccccc32)n1 CC(C)c1noc(n1)[*:1] C[C@H](CNC(=O)CC[*:1])N1CCc2ccccc21
CC(C)c1noc(CCC(=O)NC[C@@H](C)N2CCc3ccccc32)n1 CC(C)[*:1] C[C@H](CNC(=O)CCc1nc(no1)[*:1])N1CCc2ccccc21
COCc1cccc(C(=O)OC[C@H]2CCCOC2)c1 C1COC[C@H](C1)[*:1] COCc1cccc(c1)C(=O)OC[*:1]
COCc1cccc(C(=O)OC[C@H]2CCCOC2)c1 COC[*:1] O=C(OC[C@H]1CCCOC1)c1cccc(c1)[*:1]
O=C(Cc1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(Cc1ccc(Cl)cc1)Nc1ccccc1[*:1]
O=C(Cc1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1 Clc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccccc1N1CCOCC1
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(OCc3ccccc3)cc1)CC2)c1cnccn1 c1ccc(cc1)C[*:1] O=C(Nc1nc2CC[NH+](Cc3ccc(cc3)O[*:1])Cc2s1)c1cnccn1
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(OCc3ccccc3)cc1)CC2)c1cnccn1 O=C(N[*:1])c1cnccn1 c1ccc(cc1)COc1ccc(cc1)C[NH+]1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(OCc3ccccc3)cc1)CC2)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1nc2CC[NH+](Cc3ccc(cc3)OCc3ccccc3)Cc2s1)[*:1]
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(OCc3ccccc3)cc1)CC2)c1cnccn1 c1ccc(cc1)[*:1] O=C(Nc1nc2CC[NH+](Cc3ccc(cc3)OC[*:1])Cc2s1)c1cnccn1
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(OCc3ccccc3)cc1)CC2)c1cnccn1 c1ccc(cc1)CO[*:1] O=C(Nc1nc2CC[NH+](Cc3ccc(cc3)[*:1])Cc2s1)c1cnccn1
Cn1ccc(-c2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)n1 O=[N+]([O-])[*:1] Cn1ccc(n1)-c1nnc(NC(=O)c2cc3cc(ccc3s2)[*:1])o1
Cn1ccc(-c2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)n1 Cn1ccc(n1)[*:1] O=C(Nc1nnc(o1)[*:1])c1cc2cc(ccc2s1)[N+](=O)[O-]
Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccccc3Br)c2)n1 Brc1ccccc1[*:1] Cc1csc(n1)Nc1cccc(c1)[N-]S(=O)(=O)[*:1]
Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccccc3Br)c2)n1 Cc1csc(n1)N[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1ccccc1Br
Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccccc3Br)c2)n1 Cc1csc(n1)[*:1] O=S(=O)([N-]c1cccc(c1)N[*:1])c1ccccc1Br
COCCNC(=O)C1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 C1CCN(C1)[*:1] COCCNC(=O)C1CCN(CC1)c1nc(nc(n1)[*:1])N1CCCC1
COCCNC(=O)C1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 COCC[*:1] O=C(N[*:1])C1CCN(CC1)c1nc(nc(n1)N1CCCC1)N1CCCC1
COCCNC(=O)C1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 COCCNC(=O)[*:1] C1CCN(C1)c1nc(nc(n1)N1CCC(CC1)[*:1])N1CCCC1
COCCNC(=O)C1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 COC[*:1] O=C(NC[*:1])C1CCN(CC1)c1nc(nc(n1)N1CCCC1)N1CCCC1
Cc1ccc([C@@H](C)NC(=O)N[C@H](CCCO)c2ccccc2)cc1F OCC[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N[C@H](C[*:1])c1ccccc1
Cc1ccc([C@@H](C)NC(=O)N[C@H](CCCO)c2ccccc2)cc1F OCCC[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N[C@H](c1ccccc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@H](CCCO)c2ccccc2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N[C@H](CCCO)[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@H](CCCO)c2ccccc2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)N[C@H](CCCO)c1ccccc1)[*:1]
CCOC(=O)c1ccc(CNC(=O)c2ccc(NC(C)=O)cc2)o1 CCOC(=O)[*:1] CC(=O)Nc1ccc(cc1)C(=O)NCc1ccc(o1)[*:1]
CCOC(=O)c1ccc(CNC(=O)c2ccc(NC(C)=O)cc2)o1 CC(=O)N[*:1] CCOC(=O)c1ccc(CNC(=O)c2ccc(cc2)[*:1])o1
Cn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)cc1C(N)=O c1cnn(c1)[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)[N-]c1cc(Cl)ccc1[*:1]
Cn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)cc1C(N)=O NC(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cccn1
CC(C)NC(=O)C[NH2+][C@H]1CSCCC1(C)C CC(C)[*:1] CC1(C)CCSC[C@@H]1[NH2+]CC(=O)N[*:1]
c1csc(Cc2nnc(SCc3cn4ccccc4n3)n2C2CC2)c1 c1csc(c1)C[*:1] c1ccn2cc(CSc3nnc(n3C3CC3)[*:1])nc2c1
c1csc(Cc2nnc(SCc3cn4ccccc4n3)n2C2CC2)c1 c1csc(c1)[*:1] c1ccn2cc(CSc3nnc(C[*:1])n3C3CC3)nc2c1
c1csc(Cc2nnc(SCc3cn4ccccc4n3)n2C2CC2)c1 C1CC1[*:1] c1csc(c1)Cc1nnc(SCc2cn3ccccc3n2)n1[*:1]
COCCCN(C)C(=O)c1[nH]c2ccc(Br)cc2c1Cl COCCC[*:1] CN(C(=O)c1[nH]c2ccc(Br)cc2c1Cl)[*:1]
COCCCN(C)C(=O)c1[nH]c2ccc(Br)cc2c1Cl COC[*:1] CN(CC[*:1])C(=O)c1[nH]c2ccc(Br)cc2c1Cl
COCCCN(C)C(=O)c1[nH]c2ccc(Br)cc2c1Cl COCC[*:1] CN(C[*:1])C(=O)c1[nH]c2ccc(Br)cc2c1Cl
Cc1cc(Cn2nc(-c3ccco3)oc2=O)c2ccccc2n1 c1coc(c1)[*:1] Cc1cc(Cn2nc(oc2=O)[*:1])c2ccccc2n1
Cc1noc(C)c1CNc1cc(C(F)(F)F)ccn1 FC(F)(F)[*:1] Cc1noc(C)c1CNc1cc(ccn1)[*:1]
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2c2ccsc2)cc1 COc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)N1CCC[C@H]1c1ccsc1
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2c2ccsc2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@H](C)c3nc(C4CCCC4)no3)cc12 C1CCC(C1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@H](C)c1nc(no1)[*:1]
Cc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1C Cc1nnc(n1C)[*:1] O=C(CS[*:1])Nc1ccc(cc1)OCc1ccccc1
Cc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1C Cc1nnc(S[*:1])n1C O=C(C[*:1])Nc1ccc(cc1)OCc1ccccc1
Cc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1C c1ccc(cc1)C[*:1] Cc1nnc(SCC(=O)Nc2ccc(cc2)O[*:1])n1C
Cc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1C c1ccc(cc1)[*:1] Cc1nnc(SCC(=O)Nc2ccc(cc2)OC[*:1])n1C
Cc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1C c1ccc(cc1)CO[*:1] Cc1nnc(SCC(=O)Nc2ccc(cc2)[*:1])n1C
C#Cc1cc(F)c(NC(=O)N2CCC[C@@H](n3cccn3)C2)c(F)c1 c1cnn(c1)[*:1] C#Cc1cc(F)c(NC(=O)N2CCC[C@@H](C2)[*:1])c(F)c1
Cc1ccc(NC2=[NH+]CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] O=C1C[NH+]=C(N[*:1])N1Cc1ccc2OCOc2c1
CC(C)(C)OC(=O)CCn1cnc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)CCn1cnc(c1)[*:1]
CC(C)(C)OC(=O)CCn1cnc([N+](=O)[O-])c1 CC(C)(C)[*:1] O=C(CCn1cnc(c1)[N+](=O)[O-])O[*:1]
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)CC1 C[C@H]1CCCC[C@@H]1[*:1] CC[NH+]1CCN(CC1)C(=O)CC1CCN(CC1)C(=O)N[*:1]
CC(C)C[C@H](C)N(C)c1nc(C(C)C)c(C=O)s1 CC(C)[*:1] CC(C)C[C@H](C)N(C)c1nc(c(C=O)s1)[*:1]
CC(C)C[C@H](C)N(C)c1nc(C(C)C)c(C=O)s1 CC(C)C[C@H](C)[*:1] CC(C)c1nc(sc1C=O)N(C)[*:1]
CC(C)C[C@H](C)N(C)c1nc(C(C)C)c(C=O)s1 CC(C)[*:1] CC(C)c1nc(sc1C=O)N(C)[C@@H](C)C[*:1]
CC(C)C[C@H](C)N(C)c1nc(C(C)C)c(C=O)s1 CC(C)C[*:1] CC(C)c1nc(sc1C=O)N(C)[C@@H](C)[*:1]
Cc1oc(C)c(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1C Cc1oc(C)c(c1C)[*:1] O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)[*:1]
Cc1oc(C)c(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1C O=S(=O)(N1CCOCC1)[*:1] Cc1oc(C)c(C(=O)NCc2ccccc2[*:1])c1C
CC[C@H](c1ccccc1)[NH+]1CCN(Cc2ccon2)CC1 c1ccc(cc1)[*:1] CC[C@H]([NH+]1CCN(CC1)Cc1ccon1)[*:1]
CC[C@H](c1ccccc1)[NH+]1CCN(Cc2ccon2)CC1 c1cc(no1)[*:1] CC[C@H](c1ccccc1)[NH+]1CCN(CC1)C[*:1]
CC[C@H](c1ccccc1)[NH+]1CCN(Cc2ccon2)CC1 c1cc(C[*:1])no1 CC[C@H](c1ccccc1)[NH+]1CCN(CC1)[*:1]
CC(C)[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)N1CCCC1 Fc1ccccc1[*:1] CC(C)[C@H](Sc1nc(n[nH]1)[*:1])C(=O)N1CCCC1
CC(C)[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](Sc1nc(n[nH]1)-c1ccccc1F)[*:1]
CC(C)[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)N1CCCC1 CC(C)[*:1] O=C([C@@H](Sc1nc(n[nH]1)-c1ccccc1F)[*:1])N1CCCC1
CCCCCC(C)(C)CNC(=O)N1CC[C@@H](C)[C@@H](O)C1 CCCCC[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCC(C)(C)[*:1]
CCCCCC(C)(C)CNC(=O)N1CC[C@@H](C)[C@@H](O)C1 CCC[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCC(C)(C)CC[*:1]
CCCCCC(C)(C)CNC(=O)N1CC[C@@H](C)[C@@H](O)C1 CCCC[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCC(C)(C)C[*:1]
CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 CO[C@@H](C)C(=O)N[*:1] C[C@H](Nc1cccc(c1)[*:1])C(=O)Nc1ccc(Cl)cc1Cl
CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 CO[C@@H](C)[*:1] C[C@H](Nc1cccc(c1)NC(=O)[*:1])C(=O)Nc1ccc(Cl)cc1Cl
CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 Clc1ccc(c(Cl)c1)[*:1] CO[C@@H](C)C(=O)Nc1cccc(c1)N[C@@H](C)C(=O)N[*:1]
O=S(=O)([N-]c1nncn1-c1ccccc1)c1ccc2c(c1)CCO2 c1ccc(cc1)[*:1] O=S(=O)([N-]c1nncn1[*:1])c1ccc2OCCc2c1
CC[C@@H](CO)[NH2+]Cc1cn(C(C)C)c2ccccc12 CC(C)[*:1] CC[C@@H](CO)[NH2+]Cc1cn(c2ccccc12)[*:1]
CCNC(=O)c1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1 CCNC(=O)[*:1] FC(F)(F)c1nc(Nc2cccc(c2)[*:1])c2ccccc2n1
CCNC(=O)c1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1 FC(F)(F)[*:1] CCNC(=O)c1cccc(c1)Nc1nc(nc2ccccc12)[*:1]
C[C@@H]1CC[C@@H](CO)CN1C(=O)Nc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] C[C@@H]1CC[C@@H](CO)CN1C(=O)Nc1cnn(c1)[*:1]
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)c1cccc(c1)S(=O)(=O)N1CCCC[C@@H]1C)[*:1]
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)C1CC1 CC(C)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N(C[*:1])C1CC1
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1)C1CC1 CC(C)C[*:1] C[C@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N(C1CC1)[*:1]
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1F c1cn(nn1)[*:1] Cc1ccc(cc1F)[C@@H](C)[NH2+][C@@H](C)c1ccc(cc1)[*:1]
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cc1F Cc1ccc(cc1F)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1ccc(cc1)-n1ccnn1
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1O Oc1ccccc1[*:1] C#CCOc1ccc(Br)cc1/C=N/NC(=O)[*:1]
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1O C#CCO[*:1] O=C(N/N=C/c1cc(Br)ccc1[*:1])c1ccccc1O
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1O C#CC[*:1] O=C(N/N=C/c1cc(Br)ccc1O[*:1])c1ccccc1O
CCn1cc(NC(=O)CNC(=O)c2cc(C)nn2CC)cn1 CCn1cc(cn1)[*:1] CCn1nc(C)cc1C(=O)NCC(=O)N[*:1]
ClCCc1nc2cccnc2n1CC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] ClCCc1nc2cccnc2n1C[*:1]
ClCCc1nc2cccnc2n1CC[C@@H]1CCCO1 ClCC[*:1] c1cnc2c(c1)nc(n2CC[C@@H]1CCCO1)[*:1]
ClCCc1nc2cccnc2n1CC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] ClCCc1nc2cccnc2n1CC[*:1]
O=C(CSc1nnc(NC2CCCCC2)s1)N1CCN(Cc2ccccc2)CC1 C1CCC(CC1)N[*:1] O=C(CSc1nnc(s1)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(CSc1nnc(NC2CCCCC2)s1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CSc1nnc(NC2CCCCC2)s1)N1CCN(CC1)[*:1]
O=C(CSc1nnc(NC2CCCCC2)s1)N1CCN(Cc2ccccc2)CC1 C1CCC(CC1)[*:1] O=C(CSc1nnc(N[*:1])s1)N1CCN(CC1)Cc1ccccc1
O=C(CSc1nnc(NC2CCCCC2)s1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nnc(NC2CCCCC2)s1)N1CCN(CC1)C[*:1]
CN(Cc1ccsc1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 c1cc(cs1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)C(=O)c1ccccc1
CN(Cc1ccsc1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(Cc1ccsc1)C(=O)c1ccc(cc1)C(=O)[*:1]
CN(Cc1ccsc1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] CN(Cc1ccsc1)C(=O)c1ccc(cc1)[*:1]
CN(Cc1ccsc1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 c1cc(cs1)C[*:1] CN(C(=O)c1ccc(cc1)C(=O)c1ccccc1)[*:1]
COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] COC(=O)C1=C(C)N(C(=S)N[C@@H]1c1ccc(cc1)[*:1])c1ccccc1
COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(C(=O)[O-])cc1 COC(=O)[*:1] CC1=C([C@H](NC(=S)N1c1ccccc1)c1ccc(cc1)C(=O)[O-])[*:1]
COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(C(=O)[O-])cc1 O=C([O-])c1ccc(cc1)[*:1] COC(=O)C1=C(C)N(C(=S)N[C@H]1[*:1])c1ccccc1
COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(C(=O)[O-])cc1 c1ccc(cc1)[*:1] COC(=O)C1=C(C)N(C(=S)N[C@@H]1c1ccc(cc1)C(=O)[O-])[*:1]
Cc1cc(CN(C)C(=O)C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)no1 Cc1cc(C[*:1])no1 Cc1nc(oc1C)-c1cccc(c1)NC(=O)C(=O)N(C)[*:1]
Cc1cc(CN(C)C(=O)C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)no1 Cc1cc(no1)[*:1] Cc1nc(oc1C)-c1cccc(c1)NC(=O)C(=O)N(C)C[*:1]
Cc1cc(CN(C)C(=O)C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)no1 Cc1nc(oc1C)[*:1] Cc1cc(CN(C)C(=O)C(=O)Nc2cccc(c2)[*:1])no1
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H](C(C)C)[NH+](C)C CC(C)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H](C(C)C)[NH+](C)C c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)C(=O)NC[C@H](C(C)C)[NH+](C)C)[*:1]
Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 c1ccc(cc1)[*:1] Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc(cc(n1)-c1cccnc1)N[*:1]
Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 c1ccc(cc1)N[*:1] Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc(cc(n1)[*:1])-c1cccnc1
Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 c1cncc(c1)[*:1] Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc(cc(n1)[*:1])Nc1ccccc1
Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 Cc1noc(C)c1[*:1] O=C(N1CCC[C@@H]1c1nc(cc(n1)-c1cccnc1)Nc1ccccc1)[*:1]
CC[C@H](CO)NC(=O)C(=O)Nc1ccc(-c2csnn2)cc1 c1snnc1[*:1] CC[C@H](CO)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](CO)NC(=O)C(=O)Nc1ccc(-c2csnn2)cc1 CC[C@H](CO)[*:1] O=C(Nc1ccc(cc1)-c1csnn1)C(=O)N[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCO4)cc2)C[C@@H](C)O1 Clc1cc(cc2OCOc12)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@@H](C(=O)Nc1cccc(Cl)c1C)n1cnc2nc3c(cc2c1=O)CCCC3 Cc1c(Cl)cccc1[*:1] CC[C@@H](C(=O)N[*:1])n1cnc2nc3CCCCc3cc2c1=O
O=C(NCCNC(=O)c1ccco1)NC[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCCNC(=O)c1ccco1)NC[C@@H](O)[*:1]
O=C(NCCNC(=O)c1ccco1)NC[C@@H](O)c1ccc(Cl)cc1 c1coc(c1)[*:1] O=C(NCCNC(=O)[*:1])NC[C@@H](O)c1ccc(Cl)cc1
O=C(NCCNC(=O)c1ccco1)NC[C@@H](O)c1ccc(Cl)cc1 O=C(N[*:1])c1ccco1 O=C(NCC[*:1])NC[C@@H](O)c1ccc(Cl)cc1
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(C)c1 c1ccc(cc1)[*:1] CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[*:1])C2)c(C)c1
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(C)c1 c1ccc(cc1)CC[*:1] CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])c(C)c1
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)[*:1]
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c(C)c1 c1ccc(cc1)C[*:1] CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C2)C[*:1])c(C)c1
COC[C@@H](C)[C@@](O)(C(=O)[O-])C(C)C CC(C)[*:1] COC[C@@H](C)[C@@](O)(C(=O)[O-])[*:1]
COC[C@@H](C)[C@@](O)(C(=O)[O-])C(C)C O=C([O-])[*:1] COC[C@@H](C)[C@@](O)(C(C)C)[*:1]
COC[C@@H](C)[C@@](O)(C(=O)[O-])C(C)C COC[*:1] CC(C)[C@](O)(C(=O)[O-])[C@H](C)[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1F CC(C)[*:1] O=C(Nc1ccc(Br)cc1F)c1ccccc1S(=O)(=O)[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1F CC(C)S(=O)(=O)[*:1] O=C(Nc1ccc(Br)cc1F)c1ccccc1[*:1]
Cc1nnsc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 Cc1nnsc1[*:1] O=C(Nc1nnc(o1)-c1ccc(Cl)cc1)[*:1]
Cc1nnsc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] Cc1nnsc1C(=O)Nc1nnc(o1)[*:1]
O=C(CCN1CCSC1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 O=C1SCCN1C[*:1] O=C(C[*:1])OCc1cc(=O)n2c(n1)sc1ccccc12
O=C(CCN1CCSC1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 O=C1SCCN1[*:1] O=C(CC[*:1])OCc1cc(=O)n2c(n1)sc1ccccc12
O=C(CCN1CCSC1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 O=C1SCCN1CC[*:1] O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)[*:1]
C[C@H]1CCC[C@@](C(=O)c2cccnc2)([NH+](C)C)C1 c1cncc(c1)[*:1] C[C@H]1CCC[C@@](C1)(C(=O)[*:1])[NH+](C)C
COc1cccc(Cc2cccc(C3CCN(C(=O)C4CCCC4)CC3)n2)c1 C1CCC(C1)[*:1] COc1cccc(c1)Cc1cccc(n1)C1CCN(CC1)C(=O)[*:1]
COc1cccc(Cc2cccc(C3CCN(C(=O)C4CCCC4)CC3)n2)c1 COc1cccc(c1)C[*:1] O=C(C1CCCC1)N1CCC(CC1)c1cccc(n1)[*:1]
COc1cccc(Cc2cccc(C3CCN(C(=O)C4CCCC4)CC3)n2)c1 COc1cccc(c1)[*:1] O=C(C1CCCC1)N1CCC(CC1)c1cccc(C[*:1])n1
Cc1c(N[C@@H]2CC[C@@H]([NH3+])C2)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])N[C@@H]1CC[C@@H]([NH3+])C1
COc1ccc(C(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] COc1ccc(cc1)C(=O)NC[*:1]
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)N[*:1]
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)NC[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1 CC(C)(C)OC(=O)N[*:1] N#Cc1ccc(cc1)C(=O)N1CCCC[C@H]1C[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1 CC(C)(C)[*:1] N#Cc1ccc(cc1)C(=O)N1CCCC[C@H]1CNC(=O)O[*:1]
CC(=O)Oc1cc2oc(=O)cc(C)c2cc1O CC(=O)O[*:1] Cc1cc(=O)oc2cc(c(O)cc12)[*:1]
Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1cccc(Cl)c1
Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Nn1c(nnc1-c1cccc(Cl)c1)SCC(=O)N[*:1]
Cc1ccc(NC(=O)C[C@@H]2SC(N3CCC(C)CC3)=NC2=O)cc1 Cc1ccc(cc1)[*:1] CC1CCN(CC1)C1=NC(=O)[C@H](CC(=O)N[*:1])S1
CCC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 Cc1nccn1[*:1] CCC(=O)N1CCN(CC1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
C[C@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(N)=O NC(=O)[*:1] C[C@H](OC(=O)c1cc(-c2ccccc2)c(s1)N1CCOCC1)[*:1]
C[C@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(N)=O c1ccc(cc1)[*:1] C[C@H](OC(=O)c1cc(c(s1)N1CCOCC1)[*:1])C(N)=O
C[C@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(N)=O C1CN(CCO1)[*:1] C[C@H](OC(=O)c1cc(-c2ccccc2)c(s1)[*:1])C(N)=O
O=C(CCc1cccnc1)Nc1ccc2c(c1)COC2 c1cncc(c1)[*:1] O=C(CC[*:1])Nc1ccc2COCc2c1
C[C@@]1(CN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CCCO1 C[C@]1(CCCO1)[*:1] O=S1(=O)CC[C@@H](NC[*:1])c2cc(F)ccc21
C[C@@]1(CN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CCCO1 C[C@]1(CCCO1)C[*:1] O=S1(=O)CC[C@@H](N[*:1])c2cc(F)ccc21
Cc1csc(CNC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)n1 Cc1csc(C[*:1])n1 Cc1cc(ccc1C(C)C)O[C@@H](C)C(=O)N[*:1]
Cc1csc(CNC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)n1 CC(C)[*:1] Cc1csc(CNC(=O)[C@H](C)Oc2ccc(c(C)c2)[*:1])n1
Cc1csc(CNC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)n1 Cc1csc(n1)[*:1] Cc1cc(ccc1C(C)C)O[C@@H](C)C(=O)NC[*:1]
Cc1ccc(C[NH+]2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc2CC[NH+](Cc2s1)C[*:1])c1ccccn1
Cc1ccc(C[NH+]2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1nc2CC[NH+](Cc2s1)[*:1])c1ccccn1
Cc1ccc(C[NH+]2CCc3nc(NC(=O)c4ccccn4)sc3C2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)C[NH+]1CCc2nc(NC(=O)[*:1])sc2C1
O=C(Nc1nc2ccc(Br)cc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1nc2ccc(Br)cc2s1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CCn1c(C)cn2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc12 Clc1cccc(Cl)c1[*:1] CCn1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CCn1c(C)cn2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc12 Clc1cccc(Cl)c1C[*:1] CCn1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
CCSC[C@@H](C)N(C)C(=O)NC[C@H](C)N1CCOC[C@@H]1C CCS[*:1] C[C@@H](CNC(=O)N(C)[C@H](C)C[*:1])N1CCOC[C@@H]1C
CCSC[C@@H](C)N(C)C(=O)NC[C@H](C)N1CCOC[C@@H]1C C[C@H]1COCCN1[*:1] CCSC[C@@H](C)N(C)C(=O)NC[C@H](C)[*:1]
CCSC[C@@H](C)N(C)C(=O)NC[C@H](C)N1CCOC[C@@H]1C CCSC[*:1] C[C@@H](CNC(=O)N(C)[C@H](C)[*:1])N1CCOC[C@@H]1C
CCSC[C@@H](C)N(C)C(=O)NC[C@H](C)N1CCOC[C@@H]1C CCSC[C@@H](C)[*:1] C[C@@H](CNC(=O)N(C)[*:1])N1CCOC[C@@H]1C
CCCCN(Cc1ccco1)c1ncnc2oc(C)nc12 CCC[*:1] Cc1nc2c(ncnc2o1)N(Cc1ccco1)C[*:1]
CCCCN(Cc1ccco1)c1ncnc2oc(C)nc12 c1coc(c1)[*:1] CCCCN(C[*:1])c1ncnc2oc(C)nc12
CCCCN(Cc1ccco1)c1ncnc2oc(C)nc12 c1coc(c1)C[*:1] CCCCN(c1ncnc2oc(C)nc12)[*:1]
CCCCN(Cc1ccco1)c1ncnc2oc(C)nc12 CCCC[*:1] Cc1nc2c(ncnc2o1)N(Cc1ccco1)[*:1]
Cn1c2ccc(CC(N)=O)cc2c2cc(CC(N)=O)ccc21 NC(=O)[*:1] Cn1c2ccc(cc2c2cc(ccc21)C[*:1])CC(N)=O
Cn1c2ccc(CC(N)=O)cc2c2cc(CC(N)=O)ccc21 NC(=O)C[*:1] Cn1c2ccc(cc2c2cc(ccc21)[*:1])CC(N)=O
COCc1cccc(C[NH2+]Cc2cc[nH]c2)c1 c1cc(c[nH]1)[*:1] COCc1cccc(c1)C[NH2+]C[*:1]
COCc1cccc(C[NH2+]Cc2cc[nH]c2)c1 COC[*:1] c1cc(cc(c1)[*:1])C[NH2+]Cc1cc[nH]c1
Cc1cc(Nc2ccc3c(c2)OCCO3)n2nc(C(F)(F)F)nc2n1 FC(F)(F)[*:1] Cc1cc(Nc2ccc3OCCOc3c2)n2nc(nc2n1)[*:1]
CN(CCC#N)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 N#CCC[*:1] CN(C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)[*:1]
CN(CCC#N)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 CN(CCC#N)C(=O)[*:1] O=C(c1ccccc1)N1[C@H]2CCCC[C@@H]2C[C@H]1[*:1]
CN(CCC#N)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 N#CC[*:1] CN(C[*:1])C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1
CN(CCC#N)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CCC#N)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[*:1]
Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCc2c(Br)cccc21 Cc1ccccc1[*:1] O=C(CNC(=O)[*:1])N[C@H]1CCc2c(Br)cccc21
CCC[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CCO1 CCC[*:1] O=C([C@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCO[C@H](C1)[*:1]
COc1ccccc1CNC(=O)Nc1ccc(S(C)(=O)=O)nc1 CS(=O)(=O)[*:1] COc1ccccc1CNC(=O)Nc1ccc(nc1)[*:1]
C#CCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C Fc1ccccc1[*:1] C#CCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1sc(nc1C)[*:1]
C#CCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C C#CC[*:1] Cc1nc(sc1[C@H](C)NC(=O)[C@H]1CCCCN1[*:1])-c1ccccc1F
COCC1(C)CCN(c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] COCC1(C)CCN(CC1)c1ccc(cc1[*:1])S(=O)(=O)N1CCC[C@@H](C)C1
COCC1(C)CCN(c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1 COC[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCC(C)(CC1)[*:1]
O=C(COc1ccccc1Cl)NN1Cc2ccccc2C1 Clc1ccccc1[*:1] O=C(CO[*:1])NN1Cc2ccccc2C1
Brc1ccc([C@H]2C[C@H](c3ccc(I)cc3)Nc3ncnn32)cc1 Brc1ccc(cc1)[*:1] Ic1ccc(cc1)[C@H]1C[C@@H](n2ncnc2N1)[*:1]
Brc1ccc([C@H]2C[C@H](c3ccc(I)cc3)Nc3ncnn32)cc1 Ic1ccc(cc1)[*:1] Brc1ccc(cc1)[C@H]1C[C@H](Nc2ncnn21)[*:1]
CC(C)CN1CCO[C@@H](COC(=O)Cc2c(F)cccc2F)C1 CC(C)[*:1] O=C(Cc1c(F)cccc1F)OC[C@H]1CN(CCO1)C[*:1]
CC(C)CN1CCO[C@@H](COC(=O)Cc2c(F)cccc2F)C1 CC(C)C[*:1] O=C(Cc1c(F)cccc1F)OC[C@H]1CN(CCO1)[*:1]
COc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2)c1F c1ccc(cc1)[*:1] COc1cccc(C(=O)N[C@@H]2CCN(C2)[*:1])c1F
FC(F)(F)c1ccc(Oc2ccc(Cl)c3cccnc23)nc1 FC(F)(F)[*:1] Clc1ccc(Oc2ccc(cn2)[*:1])c2ncccc12
O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)N[*:1]
O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NCc1ccc(F)cc1 O=C(N[*:1])C1CCCCC1 O=C(CSc1nnc(s1)[*:1])NCc1ccc(F)cc1
O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NCc1ccc(F)cc1 C1CCC(CC1)[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)NCc1ccc(F)cc1
O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NC[*:1]
Cc1nonc1CNc1cccc([C@H]2CCC[NH2+]C2)[nH+]1 Cc1nonc1[*:1] c1cc(NC[*:1])[nH+]c(c1)[C@H]1CCC[NH2+]C1
COc1ccccc1CCN(C)S(=O)(=O)c1cccc(Cl)c1C#N COc1ccccc1[*:1] CN(CC[*:1])S(=O)(=O)c1cccc(Cl)c1C#N
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC1(C)CCCC1 CC1(CCCC1)C[*:1] CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[*:1]
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC1(C)CCCC1 CC1(CCCC1)[*:1] CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[*:1]
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CCc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)CC[*:1]
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)CCc1ccc(C#N)cc1 C[S@@](=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)CCc1ccc(C#N)cc1
CCc1cccc(OCC(=O)N(C)Cc2cccs2)c1 c1csc(c1)[*:1] CCc1cccc(c1)OCC(=O)N(C)C[*:1]
CCc1cccc(OCC(=O)N(C)Cc2cccs2)c1 c1csc(c1)C[*:1] CCc1cccc(c1)OCC(=O)N(C)[*:1]
O=C(N[C@H](Cc1ccc(F)cc1)c1ccccc1)c1ccc([O-])nn1 Fc1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])c1ccccc1)c1ccc([O-])nn1
O=C(N[C@H](Cc1ccc(F)cc1)c1ccccc1)c1ccc([O-])nn1 c1ccc(cc1)[*:1] O=C(N[C@H](Cc1ccc(F)cc1)[*:1])c1ccc([O-])nn1
O=C(N[C@H](Cc1ccc(F)cc1)c1ccccc1)c1ccc([O-])nn1 Fc1ccc(cc1)C[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1ccc([O-])nn1
Cc1ccc(NC(=O)C(F)(F)F)c(C(=O)NCc2cccs2)c1 FC(F)(F)[*:1] Cc1ccc(NC(=O)[*:1])c(c1)C(=O)NCc1cccs1
Cc1ccc(NC(=O)C(F)(F)F)c(C(=O)NCc2cccs2)c1 c1csc(c1)C[*:1] Cc1ccc(NC(=O)C(F)(F)F)c(c1)C(=O)N[*:1]
Cc1ccc(NC(=O)C(F)(F)F)c(C(=O)NCc2cccs2)c1 c1csc(c1)[*:1] Cc1ccc(NC(=O)C(F)(F)F)c(c1)C(=O)NC[*:1]
Cc1ccc(NC(=O)C(F)(F)F)c(C(=O)NCc2cccs2)c1 O=C(N[*:1])C(F)(F)F Cc1ccc(c(c1)C(=O)NCc1cccs1)[*:1]
Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(N)[n+]3Cc3cccnc3)c(=O)n2c1 c1cncc(c1)C[*:1] Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(N)[n+]3[*:1])c(=O)n2c1
Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(N)[n+]3Cc3cccnc3)c(=O)n2c1 c1cncc(c1)[*:1] Cc1ccc2nc3c(cc(C(=O)NC[*:1])c(N)[n+]3Cc3cccnc3)c(=O)n2c1
Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(N)[n+]3Cc3cccnc3)c(=O)n2c1 c1cncc(c1)[*:1] Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(N)[n+]3C[*:1])c(=O)n2c1
Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(N)[n+]3Cc3cccnc3)c(=O)n2c1 c1cncc(c1)C[*:1] Cc1ccc2nc3c(cc(C(=O)N[*:1])c(N)[n+]3Cc3cccnc3)c(=O)n2c1
Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(N)[n+]3Cc3cccnc3)c(=O)n2c1 O=C(NCc1cccnc1)[*:1] Cc1ccc2nc3c(cc(c(N)[n+]3Cc3cccnc3)[*:1])c(=O)n2c1
COc1cc(CN(C)C[C@H](O)CN2CCOCC2)cc(Br)c1O C1CN(CCO1)C[*:1] COc1cc(cc(Br)c1O)CN(C)C[C@H](O)[*:1]
COc1cc(CN(C)C[C@H](O)CN2CCOCC2)cc(Br)c1O C1CN(CCO1)[*:1] COc1cc(cc(Br)c1O)CN(C)C[C@H](O)C[*:1]
CC(C)(C)n1cnnc1SCC(=O)NCc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 CC(C)(C)n1cnnc1SCC(=O)N[*:1]
CC(C)(C)n1cnnc1SCC(=O)NCc1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC(C)(C)n1cnnc1SCC(=O)NC[*:1]
CC(C)(C)n1cnnc1SCC(=O)NCc1ccc(Cl)s1 CC(C)(C)[*:1] O=C(CSc1nncn1[*:1])NCc1ccc(Cl)s1
CC[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)C(=O)OC Clc1cccc(c1)[*:1] CC[C@H](NC(=O)c1cc(on1)[*:1])C(=O)OC
CC[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)c1cc(on1)-c1cccc(Cl)c1)[*:1]
CC[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)C(=O)OC CC[C@H](C(=O)OC)[*:1] O=C(N[*:1])c1cc(on1)-c1cccc(Cl)c1
O=C(Nc1cccc(Br)c1)N[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] O=C(Nc1cccc(Br)c1)N[*:1]
C[C@@H](C#N)Oc1ccc([C@H]2NC(=O)c3cccnc3N2)cc1 C[C@@H](C#N)O[*:1] O=C1N[C@@H](Nc2ncccc21)c1ccc(cc1)[*:1]
C[C@@H](C#N)Oc1ccc([C@H]2NC(=O)c3cccnc3N2)cc1 C[C@@H](C#N)[*:1] O=C1N[C@@H](Nc2ncccc21)c1ccc(cc1)O[*:1]
Cc1ccc([C@@H](C[NH2+]C(C)(C)C)Cc2nccs2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)[C@@H](C[NH2+][*:1])Cc1nccs1
Cc1ccc([C@@H](C[NH2+]C(C)(C)C)Cc2nccs2)cc1 c1csc(n1)[*:1] Cc1ccc(cc1)[C@@H](C[NH2+]C(C)(C)C)C[*:1]
Cc1ccc([C@@H](C[NH2+]C(C)(C)C)Cc2nccs2)cc1 c1csc(C[*:1])n1 Cc1ccc(cc1)[C@@H](C[NH2+]C(C)(C)C)[*:1]
Cc1ccc(OCCn2cccn2)c(C[NH2+]C(C)C)n1 c1cnn(c1)C[*:1] Cc1ccc(OC[*:1])c(C[NH2+]C(C)C)n1
Cc1ccc(OCCn2cccn2)c(C[NH2+]C(C)C)n1 c1cnn(c1)[*:1] Cc1ccc(OCC[*:1])c(C[NH2+]C(C)C)n1
Cc1ccc(OCCn2cccn2)c(C[NH2+]C(C)C)n1 CC(C)[*:1] Cc1ccc(OCCn2cccn2)c(C[NH2+][*:1])n1
Cc1nc(C(=O)Nc2ccccc2S(=O)(=O)C(F)F)ccc1C#N O=S(=O)(C(F)F)[*:1] Cc1nc(ccc1C#N)C(=O)Nc1ccccc1[*:1]
Cc1nc(C(=O)Nc2ccccc2S(=O)(=O)C(F)F)ccc1C#N FC(F)[*:1] Cc1nc(ccc1C#N)C(=O)Nc1ccccc1S(=O)(=O)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)CCc1ncc(o1)[*:1]
Cc1ccc(OCc2ccc(C(=O)Nc3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)o2)cc1 Cc1ccc(cc1)O[*:1] C[C@H]1CN(Cc2csc(n2)NC(=O)c2ccc(C[*:1])o2)C[C@H](C)O1
Cc1ccc(OCc2ccc(C(=O)Nc3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)o2)cc1 Cc1ccc(cc1)OC[*:1] C[C@H]1CN(Cc2csc(n2)NC(=O)c2ccc(o2)[*:1])C[C@H](C)O1
Cc1ccc(OCc2ccc(C(=O)Nc3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)o2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CN(Cc2csc(n2)NC(=O)c2ccc(CO[*:1])o2)C[C@H](C)O1
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H](O)c2cccc(F)c2)C1 CC(C)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N1CC[C@H](C1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H](O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CC(C)NS(=O)(=O)[C@@H]1CCN(C1)C(=O)C[C@H](O)[*:1]
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H](O)c2cccc(F)c2)C1 CC(C)NS(=O)(=O)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N1CC[C@H](C1)[*:1]
C[C@@H]1CCOCCN1C(=O)NCCc1ccsc1 c1cc(cs1)C[*:1] C[C@@H]1CCOCCN1C(=O)NC[*:1]
C[C@@H]1CCOCCN1C(=O)NCCc1ccsc1 c1cc(cs1)[*:1] C[C@@H]1CCOCCN1C(=O)NCC[*:1]
Cc1ccc(-n2c(S[C@H](C)C(=O)N3CCCC3)nc3sc4c(c3c2=O)CCC4)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nc2sc3CCCc3c2c(=O)n1[*:1])C(=O)N1CCCC1
Cc1ccc(-n2c(S[C@H](C)C(=O)N3CCCC3)nc3sc4c(c3c2=O)CCC4)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)-n1c(nc2sc3CCCc3c2c1=O)S[C@H](C)[*:1]
CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)Oc2ccccc21 Clc1cc(Cl)cc(c1)[*:1] CCS(=O)(=O)N1C[C@H](Oc2ccccc21)C(=O)N[*:1]
CNC(=O)NC(=O)[C@H](c1ccccc1)N1CC[S@@](=O)C(C)(C)C1 CNC(=O)NC(=O)[*:1] CC1(C)CN(CC[S@]1=O)[C@@H](c1ccccc1)[*:1]
CNC(=O)NC(=O)[C@H](c1ccccc1)N1CC[S@@](=O)C(C)(C)C1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@H](N1CC[S@@](=O)C(C)(C)C1)[*:1]
CCc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)s1 CCc1ccc(s1)[*:1] C[C@H](NC(=O)[*:1])c1ccc2OCOc2c1
NC(=O)CONC(=O)C[C@H]1CCCc2ccccc21 NC(=O)[*:1] O=C(C[C@H]1CCCc2ccccc21)NOC[*:1]
NC(=O)CONC(=O)C[C@H]1CCCc2ccccc21 NC(=O)C[*:1] O=C(C[C@H]1CCCc2ccccc21)NO[*:1]
C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])[*:1]
C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 O=[N+]([O-])[*:1] C[C@H](NC(=O)/C=C/c1ccccc1[*:1])c1ccc(F)c(F)c1
COc1ccccc1[C@H]1CN2C(=O)CN(C[C@@H]3CCCO3)C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C12 C1CO[C@@H](C1)C[*:1] COc1ccccc1[C@H]1CN2C(=O)CN(C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C12)[*:1]
COc1ccccc1[C@H]1CN2C(=O)CN(C[C@@H]3CCCO3)C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C12 COc1ccccc1[*:1] C[C@]12C(=O)N(CC(=O)N1C[C@@H](C1=c3ccccc3=[NH+][C@@H]12)[*:1])C[C@@H]1CCCO1
COc1ccccc1[C@H]1CN2C(=O)CN(C[C@@H]3CCCO3)C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C12 C1CO[C@@H](C1)[*:1] COc1ccccc1[C@H]1CN2C(=O)CN(C[*:1])C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C12
FC(F)(F)CN1CCCN(c2ncnc3[nH]cnc23)CC1 FC(F)(F)[*:1] c1nc(c2nc[nH]c2n1)N1CCCN(CC1)C[*:1]
FC(F)(F)CN1CCCN(c2ncnc3[nH]cnc23)CC1 FC(F)(F)C[*:1] c1nc(c2nc[nH]c2n1)N1CCCN(CC1)[*:1]
CSCC(=O)NNC(=O)[C@@H]1OCC[C@H]1C CSC[*:1] C[C@@H]1CCO[C@H]1C(=O)NNC(=O)[*:1]
COCCn1nc(C)c(CNC(=O)c2cn(C)nc2C(C)(C)C)c1C COCC[*:1] Cc1nn(c(C)c1CNC(=O)c1cn(C)nc1C(C)(C)C)[*:1]
COCCn1nc(C)c(CNC(=O)c2cn(C)nc2C(C)(C)C)c1C CC(C)(C)[*:1] COCCn1nc(C)c(CNC(=O)c2cn(C)nc2[*:1])c1C
COCCn1nc(C)c(CNC(=O)c2cn(C)nc2C(C)(C)C)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)c1cn(C)nc1C(C)(C)C
O=C(CC1CCOCC1)OCc1ccc(Cl)c([N+](=O)[O-])c1 C1CC(CCO1)C[*:1] O=C(OCc1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
O=C(CC1CCOCC1)OCc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CC1CCOCC1)OCc1ccc(Cl)c(c1)[*:1]
O=C(CC1CCOCC1)OCc1ccc(Cl)c([N+](=O)[O-])c1 C1CC(CCO1)[*:1] O=C(C[*:1])OCc1ccc(Cl)c(c1)[N+](=O)[O-]
CCc1ccsc1CNC(=O)N[C@@H](CCO)C(=O)[O-] O=C([O-])[*:1] CCc1ccsc1CNC(=O)N[C@@H](CCO)[*:1]
CCc1ccsc1CNC(=O)N[C@@H](CCO)C(=O)[O-] OCC[*:1] CCc1ccsc1CNC(=O)N[C@@H](C(=O)[O-])[*:1]
CC(C)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1cccnc1 CC(C)[*:1] C[C@H](C[NH2+][C@H](c1cccnc1)[*:1])C[NH+]1CCCCC1
CC(C)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)[*:1]
COc1ccccc1COC1CCN(C(=O)NC2CCC(C)CC2)CC1 COc1ccccc1[*:1] CC1CCC(CC1)NC(=O)N1CCC(CC1)OC[*:1]
COc1ccccc1COC1CCN(C(=O)NC2CCC(C)CC2)CC1 CC1CCC(CC1)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)N[*:1]
O=C(COc1ccccc1)NC[C@H]1OCCc2ccccc21 c1ccc(cc1)[*:1] O=C(CO[*:1])NC[C@H]1OCCc2ccccc21
O=C(COc1ccccc1)NC[C@H]1OCCc2ccccc21 c1ccc(cc1)O[*:1] O=C(C[*:1])NC[C@H]1OCCc2ccccc21
COC(=O)[C@H](C)S(=O)(=O)Cc1nnc(-c2ccccc2F)o1 Fc1ccccc1[*:1] COC(=O)[C@H](C)S(=O)(=O)Cc1nnc(o1)[*:1]
COC(=O)[C@H](C)S(=O)(=O)Cc1nnc(-c2ccccc2F)o1 COC(=O)[*:1] C[C@H](S(=O)(=O)Cc1nnc(o1)-c1ccccc1F)[*:1]
CN(C)c1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cc1 CN(C)[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)c2ccc(cc2)[*:1])CN1CCO
CN(C)c1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cc1 OCC[*:1] CN(C)c1ccc(cc1)C(=O)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)c1cccnc1Oc1cccnc1 Clc1cccc(c1)[*:1] O=C(N[C@H]1C[C@@H]1[*:1])c1cccnc1Oc1cccnc1
O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)c1cccnc1Oc1cccnc1 c1cncc(c1)[*:1] O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)c1cccnc1O[*:1]
O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)c1cccnc1Oc1cccnc1 c1cncc(c1)O[*:1] O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)c1cccnc1[*:1]
CC1=NN(c2ccc(C(=O)N3CCC(OCc4ccccc4)CC3)cc2)CC1 c1ccc(cc1)[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N1CCC(CC1)OC[*:1]
CC1=NN(c2ccc(C(=O)N3CCC(OCc4ccccc4)CC3)cc2)CC1 c1ccc(cc1)C[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N1CCC(CC1)O[*:1]
CC1=NN(c2ccc(C(=O)N3CCC(OCc4ccccc4)CC3)cc2)CC1 c1ccc(cc1)CO[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
CCOc1ccc(-c2ccc(C=O)n2C)cc1 CCO[*:1] Cn1c(C=O)ccc1-c1ccc(cc1)[*:1]
CC(C)N(CCCCl)c1nc[nH+]c2c1CCCCC2 CC(C)[*:1] ClCCCN(c1nc[nH+]c2CCCCCc12)[*:1]
CC(C)N(CCCCl)c1nc[nH+]c2c1CCCCC2 ClCC[*:1] CC(C)N(C[*:1])c1nc[nH+]c2CCCCCc12
CC(C)N(CCCCl)c1nc[nH+]c2c1CCCCC2 ClCCC[*:1] CC(C)N(c1nc[nH+]c2CCCCCc12)[*:1]
COC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(F)c(F)c1 COC[*:1] Fc1ccc(cc1F)[C@H]([NH2+]Cc1ccc(cc1)-n1ccnc1)[*:1]
COC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(F)c(F)c1 c1cn(cn1)[*:1] COC[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc(F)c(F)c1
COC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H]([NH2+]Cc1ccc(cc1)-n1ccnc1)[*:1]
COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N[C@H]3CCSC3=O)n2)cc1 COc1ccc(cc1)[*:1] C[C@H](C(=O)N[C@H]1CCSC1=O)n1nc(ccc1=O)[*:1]
O=[N+]([O-])c1nn(Cc2ccc(Cl)cc2Cl)cc1Cl O=[N+]([O-])[*:1] Clc1ccc(Cn2cc(Cl)c(n2)[*:1])c(Cl)c1
Cn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cccc(F)c2)CC1 c1cn(cn1)[*:1] Cn1c(C[*:1])nnc1C1CC[NH+](CC1)Cc1cccc(F)c1
Cn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] Cn1c(Cn2ccnc2)nnc1C1CC[NH+](CC1)C[*:1]
Cn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] Cn1c(Cn2ccnc2)nnc1C1CC[NH+](CC1)[*:1]
Cn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cccc(F)c2)CC1 c1cn(cn1)C[*:1] Cn1c(nnc1[*:1])C1CC[NH+](CC1)Cc1cccc(F)c1
O=C(CN1C(=O)c2ccccc2C1=O)Nc1c(C(=O)c2ccco2)oc2ccccc12 c1coc(c1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1c(oc2ccccc12)C(=O)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)Nc1c(C(=O)c2ccco2)oc2ccccc12 O=C(c1ccco1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1c(oc2ccccc12)[*:1]
[NH3+][C@@H](CC(=O)[O-])Cc1ccc(F)cc1 O=C([O-])[*:1] [NH3+][C@H](Cc1ccc(F)cc1)C[*:1]
CC1CCC(NC(=O)C[NH2+]C2(C(N)=O)CCCC2)CC1 NC(=O)[*:1] CC1CCC(CC1)NC(=O)C[NH2+]C1(CCCC1)[*:1]
O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 c1cc(ccn1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CSc1nnc(o1)-c1ccncc1)Nc1ccc(Cl)c(c1)[*:1]
CC(C)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 CC(C)C[*:1] CN(C(=O)c1ccc(cc1)NC(=O)C(=O)NC[*:1])C1CCCCC1
CC(C)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(C)CCNC(=O)C(=O)Nc1ccc(cc1)C(=O)N(C)[*:1]
CC(C)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 CC(C)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)C(=O)NCC[*:1])C1CCCCC1
CC(C)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 CC(C)CC[*:1] CN(C(=O)c1ccc(cc1)NC(=O)C(=O)N[*:1])C1CCCCC1
C[NH+](C)CCC1CC[NH+](CC[NH+]2CCCCC2)CC1 C[NH+](C)CC[*:1] C1CC[NH+](CC1)CC[NH+]1CCC(CC1)[*:1]
C[NH+](C)CCC1CC[NH+](CC[NH+]2CCCCC2)CC1 C1CC[NH+](CC1)[*:1] C[NH+](C)CCC1CC[NH+](CC1)CC[*:1]
C[NH+](C)CCC1CC[NH+](CC[NH+]2CCCCC2)CC1 C[NH+](C)C[*:1] C1CC[NH+](CC1)CC[NH+]1CCC(CC1)C[*:1]
Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1C O=C([O-])[*:1] Cc1ccc(cc1C)C(=O)Nc1cccc(c1)[*:1]
COCCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCCC1 COC[*:1] O=C(c1csc(n1)-c1ccc(Cl)cc1)N(C[*:1])C1CCCC1
COCCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCCC1 COCC[*:1] O=C(c1csc(n1)-c1ccc(Cl)cc1)N(C1CCCC1)[*:1]
COCCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCCC1 Clc1ccc(cc1)[*:1] COCCN(C(=O)c1csc(n1)[*:1])C1CCCC1
COCCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCCC1 C1CCC(C1)[*:1] COCCN(C(=O)c1csc(n1)-c1ccc(Cl)cc1)[*:1]
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCCC1CCCC1 C1CCC(C1)[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCC[*:1]
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCCC1CCCC1 C1CCC(C1)CC[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NC[*:1]
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCCC1CCCC1 C1CCC(C1)C[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCC[*:1]
CCSCc1cccc(NC(=O)C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1 CCS[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)C[*:1]
CCSCc1cccc(NC(=O)C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1 CCSC[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
COCC[NH2+]C[C@H]1CCO[C@H]1c1cccc(C2CC2)c1 COC[*:1] c1cc(cc(c1)[C@@H]1OCC[C@@H]1C[NH2+]C[*:1])C1CC1
COCC[NH2+]C[C@H]1CCO[C@H]1c1cccc(C2CC2)c1 COCC[*:1] c1cc(cc(c1)[C@@H]1OCC[C@@H]1C[NH2+][*:1])C1CC1
COCC[NH2+]C[C@H]1CCO[C@H]1c1cccc(C2CC2)c1 C1CC1[*:1] COCC[NH2+]C[C@H]1CCO[C@H]1c1cccc(c1)[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)CN1CCCOC1=O O=C1OCCCN1[*:1] CC(C)Oc1ccc(F)cc1NC(=O)C[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)CN1CCCOC1=O CC(C)O[*:1] O=C(CN1CCCOC1=O)Nc1cc(F)ccc1[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)CN1CCCOC1=O CC(C)[*:1] O=C(CN1CCCOC1=O)Nc1cc(F)ccc1O[*:1]
CCOc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 CCOc1ccccc1[*:1] O=C(CSc1ncnc2scc(-c3ccccc3)c12)N[*:1]
CCOc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)CSc1ncnc2scc(c12)[*:1]
CCOc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 CCO[*:1] O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1ccccc1[*:1]
CCC(CC)NC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 CCC(CC)[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)N[*:1])C[C@@H](C)O1
C[C@H](O)c1cccc(-n2cnnn2)c1 C[C@H](O)[*:1] c1cc(cc(c1)[*:1])-n1cnnn1
CC(=O)Nc1ccc(F)c(NC(=O)[C@@H](C)SCc2ccccc2)c1 c1ccc(cc1)CS[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)[C@@H](C)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)[C@@H](C)SCc2ccccc2)c1 CC(=O)N[*:1] C[C@@H](SCc1ccccc1)C(=O)Nc1cc(ccc1F)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)[C@@H](C)SCc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)[C@@H](C)SC[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)[C@@H](C)SCc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)[C@@H](C)S[*:1]
C[C@H]1C[C@H](Nc2ccccc2SCC(F)(F)F)CS1 FC(F)(F)CS[*:1] C[C@H]1C[C@@H](CS1)Nc1ccccc1[*:1]
C[C@H]1C[C@H](Nc2ccccc2SCC(F)(F)F)CS1 FC(F)(F)[*:1] C[C@H]1C[C@@H](CS1)Nc1ccccc1SC[*:1]
C[C@H]1C[C@H](Nc2ccccc2SCC(F)(F)F)CS1 FC(F)(F)C[*:1] C[C@H]1C[C@@H](CS1)Nc1ccccc1S[*:1]
CC[C@@](C)([C@H]([NH3+])c1ccc(F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)([C@H]([NH3+])c1ccc(F)cc1)[*:1]
Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@@H](C)C(=O)N3CCC[C@H](C)C3)CC1)O2 C[C@H]1CCCN(C1)C(=O)[*:1] Cc1ccc2O[C@]3(CCC(=O)N(CC3)[C@@H](C)[*:1])CNC(=O)c2c1
Cc1occc1C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C Fc1ccc(cc1)[*:1] Cc1occc1C(=O)NCC(=O)N[C@@H](C[*:1])C(C)C
Cc1occc1C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C Cc1occc1[*:1] CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[*:1]
Cc1occc1C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C CC(C)[*:1] Cc1occc1C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)[*:1]
Cc1occc1C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C Fc1ccc(cc1)C[*:1] Cc1occc1C(=O)NCC(=O)N[C@@H](C(C)C)[*:1]
COC(=O)[C@]1([NH3+])CCC[C@@H](Oc2ccccc2C)C1 COC(=O)[*:1] Cc1ccccc1O[C@@H]1CCC[C@@]([NH3+])(C1)[*:1]
Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] Cc1ccc(Cl)cc1NC(=S)NC(=O)[*:1]
C[C@H](O)CNc1nc2ccccc2n1C C[C@H](O)[*:1] Cn1c(nc2ccccc21)NC[*:1]
C[C@H](O)CNc1nc2ccccc2n1C C[C@H](O)C[*:1] Cn1c(nc2ccccc21)N[*:1]
C[C@H](O)CNc1nc2ccccc2n1C C[C@H](O)CN[*:1] Cn1c(nc2ccccc21)[*:1]
Cc1n[nH]c(-c2ccc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)n1 Cc1n[nH]c(n1)[*:1] CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)c1ccc(cc1)[*:1]
Cc1n[nH]c(-c2ccc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)n1 CC(C)(C)OC(=O)N[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)N1CC[C@@H](C1)[*:1]
Cc1n[nH]c(-c2ccc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)n1 CC(C)(C)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)N1CC[C@H](C1)NC(=O)O[*:1]
COC(=O)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] COC(=O)CCNC(=O)c1c(C)cc(C)c(c1C)[*:1]
COC(=O)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C COC(=O)C[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[*:1])[N+](=O)[O-]
COC(=O)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C COC(=O)[*:1] Cc1cc(C)c(c(C)c1C(=O)NCC[*:1])[N+](=O)[O-]
COC(=O)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C COC(=O)CC[*:1] Cc1cc(C)c(c(C)c1C(=O)N[*:1])[N+](=O)[O-]
O=C(c1c(F)c(F)cc(F)c1F)N1CCO[C@H](COCc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] O=C(c1c(F)c(F)cc(F)c1F)N1CCO[C@H](COCc2cccc(c2)[*:1])C1
O=C(c1c(F)c(F)cc(F)c1F)N1CCO[C@H](COCc2cccc(C(F)(F)F)c2)C1 Fc1cc(F)c(F)c(c1F)[*:1] O=C(N1CCO[C@H](COCc2cccc(c2)C(F)(F)F)C1)[*:1]
O=C(c1c(F)c(F)cc(F)c1F)N1CCO[C@H](COCc2cccc(C(F)(F)F)c2)C1 FC(F)(F)c1cccc(c1)[*:1] O=C(c1c(F)c(F)cc(F)c1F)N1CCO[C@H](COC[*:1])C1
Cc1ccc(OCCNC(=O)Cc2ccc[nH]2)cc1 c1c[nH]c(c1)C[*:1] Cc1ccc(cc1)OCCNC(=O)[*:1]
Cc1ccc(OCCNC(=O)Cc2ccc[nH]2)cc1 c1c[nH]c(c1)[*:1] Cc1ccc(cc1)OCCNC(=O)C[*:1]
CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C[NH2+]C)cc1F FC(F)(F)C[*:1] CCN(S(=O)(=O)c1ccc(cc1F)C[NH2+]C)[*:1]
CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C[NH2+]C)cc1F FC(F)(F)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(cc1F)C[NH2+]C
COc1cccc(-c2cc(NCc3nc(C)cs3)n(C)[nH+]2)c1 Cc1csc(C[*:1])n1 COc1cccc(c1)-c1cc(N[*:1])n(C)[nH+]1
COc1cccc(-c2cc(NCc3nc(C)cs3)n(C)[nH+]2)c1 Cc1csc(n1)[*:1] COc1cccc(c1)-c1cc(NC[*:1])n(C)[nH+]1
COc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 COc1ccccc1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@H]1C
Cc1ccc(CNC(=O)NCCc2nc(C(F)(F)F)cs2)cc1F Cc1ccc(cc1F)[*:1] O=C(NCCc1nc(cs1)C(F)(F)F)NC[*:1]
Cc1ccc(CNC(=O)NCCc2nc(C(F)(F)F)cs2)cc1F FC(F)(F)[*:1] Cc1ccc(cc1F)CNC(=O)NCCc1nc(cs1)[*:1]
CCOc1ccccc1[C@H]1CC(=O)NC(=O)[C@@H]1CC CCO[*:1] CC[C@H]1C(=O)NC(=O)C[C@@H]1c1ccccc1[*:1]
CC(=O)Nc1c(C)cc(NC(=O)c2cc(=O)[nH]c3cc(F)ccc23)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)c1cc(=O)[nH]c2cc(F)ccc12
O=C1CCc2ccc(C(=O)NCc3cccc(OC(F)(F)F)c3)nc2N1 FC(F)(F)O[*:1] O=C1CCc2ccc(nc2N1)C(=O)NCc1cccc(c1)[*:1]
O=C1CCc2ccc(C(=O)NCc3cccc(OC(F)(F)F)c3)nc2N1 FC(F)(F)[*:1] O=C1CCc2ccc(nc2N1)C(=O)NCc1cccc(c1)O[*:1]
Cc1ocnc1CNC(=O)NCc1ccc(Cn2ccccc2=O)cc1 Cc1ocnc1[*:1] O=C(NCc1ccc(cc1)Cn1ccccc1=O)NC[*:1]
Cc1ocnc1CNC(=O)NCc1ccc(Cn2ccccc2=O)cc1 O=c1ccccn1C[*:1] Cc1ocnc1CNC(=O)NCc1ccc(cc1)[*:1]
Cc1ocnc1CNC(=O)NCc1ccc(Cn2ccccc2=O)cc1 O=c1ccccn1[*:1] Cc1ocnc1CNC(=O)NCc1ccc(cc1)C[*:1]
C[NH+](Cc1ccccc1)CC1CCN(C(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)[*:1] C[NH+](Cc1ccccc1)CC1CCN(CC1)C(=O)C[*:1]
C[NH+](Cc1ccccc1)CC1CCN(C(=O)Cc2ccc[nH]2)CC1 c1ccc(cc1)[*:1] C[NH+](CC1CCN(CC1)C(=O)Cc1ccc[nH]1)C[*:1]
C[NH+](Cc1ccccc1)CC1CCN(C(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)C[*:1] C[NH+](Cc1ccccc1)CC1CCN(CC1)C(=O)[*:1]
C[NH+](Cc1ccccc1)CC1CCN(C(=O)Cc2ccc[nH]2)CC1 c1ccc(cc1)C[*:1] C[NH+](CC1CCN(CC1)C(=O)Cc1ccc[nH]1)[*:1]
CCOCCC(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-] CCOC[*:1] O=C([O-])[C@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)C[*:1]
CCOCCC(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CCOCCC(=O)N1[C@H]2CCCC[C@@H]2CC[C@H]1[*:1]
CCOCCC(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-] CCOCC[*:1] O=C([O-])[C@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)[*:1]
CCOCCC(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-] CCO[*:1] O=C([O-])[C@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)CC[*:1]
Cc1cc(C)c(CNC(=O)c2ccccc2[N+](=O)[O-])c(=O)[nH]1 O=[N+]([O-])[*:1] Cc1cc(C)c(CNC(=O)c2ccccc2[*:1])c(=O)[nH]1
C[C@H](Cc1ccccc1F)C(=O)NCc1ccc([S@@](C)=O)cc1 Fc1ccccc1[*:1] C[C@H](C[*:1])C(=O)NCc1ccc(cc1)[S@@](C)=O
C[C@H](Cc1ccccc1F)C(=O)NCc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] C[C@H](Cc1ccccc1F)C(=O)NCc1ccc(cc1)[*:1]
COc1ccccc1[C@@H](C)NC(=O)CN1CCn2c(nn(C)c2=O)C1 COc1ccccc1[*:1] C[C@@H](NC(=O)CN1CCn2c(C1)nn(C)c2=O)[*:1]
C[C@H](CNC(=O)c1cccc(F)c1Cl)c1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)c1cccc(F)c1Cl)[*:1]
CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)CCC2 CC(C)[*:1] O=C(Nc1ccc2CCCc2c1)C(=O)N[C@H](CO)[*:1]
CC1(C)C(CNS(=O)(=O)c2cnn(CC[NH3+])c2)C1(C)C [NH3+]CC[*:1] CC1(C)C(CNS(=O)(=O)c2cnn(c2)[*:1])C1(C)C
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)CCC(F)(F)F FC(F)(F)[*:1] C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)CC[*:1]
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)CCC(F)(F)F FC(F)(F)C[*:1] C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)C[*:1]
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)CCC(F)(F)F FC(F)(F)CC[*:1] C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(C)[*:1]
N#CCCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 N#CC[*:1] Fc1ccccc1-c1nnc(SC[*:1])n1Cc1ccccc1
N#CCCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 N#CCC[*:1] Fc1ccccc1-c1nnc(S[*:1])n1Cc1ccccc1
N#CCCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 c1ccc(cc1)C[*:1] N#CCCSc1nnc(-c2ccccc2F)n1[*:1]
N#CCCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 c1ccc(cc1)[*:1] N#CCCSc1nnc(-c2ccccc2F)n1C[*:1]
N#CCCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 N#CCCS[*:1] Fc1ccccc1-c1nnc(n1Cc1ccccc1)[*:1]
N#CCCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 Fc1ccccc1[*:1] N#CCCSc1nnc(n1Cc1ccccc1)[*:1]
CCc1nn(C)cc1C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] CCc1nn(C)cc1C(=O)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
CCc1nn(C)cc1C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 O=C(NC1CCCC1)[*:1] CCc1nn(C)cc1C(=O)N1CCN(CC1)[C@@H](C)[*:1]
CCc1nn(C)cc1C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 CCc1nn(C)cc1[*:1] C[C@@H](C(=O)NC1CCCC1)N1CCN(CC1)C(=O)[*:1]
ON(/C(=N\c1ccccc1)c1ccccc1Cl)c1ccccc1 Clc1ccccc1[*:1] ON(/C(=N\c1ccccc1)[*:1])c1ccccc1
ON(/C(=N\c1ccccc1)c1ccccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] ON(/C(=N\c1ccccc1)c1ccccc1Cl)[*:1]
ON(/C(=N\c1ccccc1)c1ccccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] ON(C(=N[*:1])c1ccccc1Cl)c1ccccc1
C[C@H](O)[C@H](C)Oc1ccc(Br)cc1C(=O)[O-] O=C([O-])[*:1] C[C@H](O)[C@H](C)Oc1ccc(Br)cc1[*:1]
C[C@H](O)[C@H](C)Oc1ccc(Br)cc1C(=O)[O-] C[C@H](O)[C@H](C)[*:1] O=C([O-])c1cc(Br)ccc1O[*:1]
C[C@H](O)[C@H](C)Oc1ccc(Br)cc1C(=O)[O-] C[C@H](O)[*:1] C[C@H](Oc1ccc(Br)cc1C(=O)[O-])[*:1]
COc1ccc(C(=O)N2CCN(Cc3ncoc3C(C)C)CC2)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)Cc1ncoc1[*:1]
COc1ccc(C(=O)N2CCN(Cc3ncoc3C(C)C)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)c1ocnc1CN1CCN(CC1)C(=O)[*:1]
NC(=O)c1oc2ccccc2c1NC(=O)CCc1ccc(F)cc1 NC(=O)[*:1] O=C(CCc1ccc(F)cc1)Nc1c(oc2ccccc12)[*:1]
NC(=O)c1oc2ccccc2c1NC(=O)CCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] NC(=O)c1oc2ccccc2c1NC(=O)C[*:1]
NC(=O)c1oc2ccccc2c1NC(=O)CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)c1oc2ccccc2c1NC(=O)CC[*:1]
CCOC(=O)[C@]1(CC)CC[C@@H](CC)C1=O CCOC(=O)[*:1] CC[C@@H]1CC[C@@](CC)(C1=O)[*:1]
COc1ncccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ncccc1[N-]S(=O)(=O)c1cnn(c1)[*:1]
C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)O[C@H](c2cccc(O)c2)O1 Oc1cccc(c1)[*:1] C[C@H]1CN(O[C@H](O1)[*:1])C(=O)c1ccc2OCOc2c1
COc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 Cc1nc(no1)[*:1] COc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](C1)C[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 Cc1nc(C[*:1])no1 COc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 COc1ccc(F)cc1[*:1] Cc1nc(C[C@@H]2CCCN(C2)C(=O)C(=O)N[*:1])no1
CCNC(=O)c1ccc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)nc1 CCNC(=O)[*:1] Clc1ccc(cc1)[C@H]1OCC[C@@H]1Nc1ccc(cn1)[*:1]
CCNC(=O)c1ccc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)nc1 Clc1ccc(cc1)[*:1] CCNC(=O)c1ccc(nc1)N[C@H]1CCO[C@H]1[*:1]
CCc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl CCc1ccccc1[*:1] O=C(COC(=O)c1cc(ccc1Cl)[N+](=O)[O-])N[*:1]
CCc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CCc1ccccc1NC(=O)COC(=O)c1cc(ccc1Cl)[*:1]
N#CCN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)C1CCCC1 N#CC[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)N(C1CCCC1)[*:1]
N#CCN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)C1CCCC1 C1CCC(C1)[*:1] N#CCN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)[*:1]
CC(C)[C@H](C)N(C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)C1CC1 CC(C)(C)[*:1] CC(C)[C@H](C)N(C(=O)N[C@@H](C)c1nc(no1)[*:1])C1CC1
CC(C)[C@H](C)N(C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)C1CC1 C1CC1[*:1] CC(C)[C@H](C)N(C(=O)N[C@@H](C)c1nc(no1)C(C)(C)C)[*:1]
CC(C)[C@H](C)N(C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)C1CC1 CC(C)[*:1] C[C@H](NC(=O)N(C1CC1)[C@@H](C)[*:1])c1nc(no1)C(C)(C)C
CC(C)[C@H](C)N(C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)C1CC1 CC(C)[C@H](C)[*:1] C[C@H](NC(=O)N(C1CC1)[*:1])c1nc(no1)C(C)(C)C
Nc1cc(C(=O)[O-])c[nH+]c1N O=C([O-])[*:1] Nc1cc(c[nH+]c1N)[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(o1)[N+](=O)[O-])[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 O=[N+]([O-])[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(o1)[*:1])C1CCCCC1
Cc1cccc(OCC(=O)N2CCN(c3nc4c(C)ccc(C)c4s3)CC2)c1 Cc1cccc(c1)O[*:1] Cc1ccc(C)c2sc(nc12)N1CCN(CC1)C(=O)C[*:1]
Cc1cccc(OCC(=O)N2CCN(c3nc4c(C)ccc(C)c4s3)CC2)c1 Cc1cccc(c1)OC[*:1] Cc1ccc(C)c2sc(nc12)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(OCC(=O)N2CCN(c3nc4c(C)ccc(C)c4s3)CC2)c1 Cc1cccc(c1)[*:1] Cc1ccc(C)c2sc(nc12)N1CCN(CC1)C(=O)CO[*:1]
COc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)Nc3ccccc3)cc2c1 Clc1ccc(cc1)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(C[*:1])C(=O)Nc1ccccc1
COc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)Nc3ccccc3)cc2c1 Clc1ccc(cc1)C[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)Nc1ccccc1)[*:1]
COc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)Nc3ccccc3)cc2c1 c1ccc(cc1)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(Cc1ccc(Cl)cc1)C(=O)N[*:1]
COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 COc1ccc(s1)[*:1] C1CC[NH+](C1)CCOC1CC[NH+](CC1)C[*:1]
COc1cccc(/N=C(\Nc2cc(F)ccc2C)n2sc(C)cc2=N)c1 COc1cccc(c1)[*:1] Cc1cc(=N)n(s1)C(=N[*:1])Nc1cc(F)ccc1C
COc1cccc(/N=C(\Nc2cc(F)ccc2C)n2sc(C)cc2=N)c1 Cc1ccc(F)cc1[*:1] COc1cccc(c1)/N=C(\N[*:1])n1sc(C)cc1=N
CC[C@](NC(=O)c1cccc(CS(C)(=O)=O)c1)(C(=O)[O-])c1ccccc1 CS(=O)(=O)C[*:1] CC[C@](NC(=O)c1cccc(c1)[*:1])(C(=O)[O-])c1ccccc1
CC[C@](NC(=O)c1cccc(CS(C)(=O)=O)c1)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CC[C@](NC(=O)c1cccc(c1)CS(C)(=O)=O)(C(=O)[O-])[*:1]
CC[C@](NC(=O)c1cccc(CS(C)(=O)=O)c1)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CC[C@](NC(=O)c1cccc(c1)CS(C)(=O)=O)(c1ccccc1)[*:1]
CC[C@](NC(=O)c1cccc(CS(C)(=O)=O)c1)(C(=O)[O-])c1ccccc1 CS(=O)(=O)[*:1] CC[C@](NC(=O)c1cccc(c1)C[*:1])(C(=O)[O-])c1ccccc1
Nc1c(-c2nc(-c3ccc4c(c3)OCO4)cs2)nnn1-c1ccc(Br)cc1F c1cc2OCOc2cc1[*:1] Nc1c(nnn1-c1ccc(Br)cc1F)-c1nc(cs1)[*:1]
Nc1c(-c2nc(-c3ccc4c(c3)OCO4)cs2)nnn1-c1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] Nc1c(nnn1[*:1])-c1nc(cs1)-c1ccc2OCOc2c1
Cc1csc(CNC(=O)c2sc3cccc(F)c3c2N)n1 Cc1csc(n1)[*:1] Nc1c(sc2cccc(F)c12)C(=O)NC[*:1]
Cc1csc(CNC(=O)c2sc3cccc(F)c3c2N)n1 Cc1csc(C[*:1])n1 Nc1c(sc2cccc(F)c12)C(=O)N[*:1]
COC(=O)c1occc1CSc1nc2ccc(Br)cc2c(=O)n1CC(C)C CC(C)C[*:1] COC(=O)c1occc1CSc1nc2ccc(Br)cc2c(=O)n1[*:1]
COC(=O)c1occc1CSc1nc2ccc(Br)cc2c(=O)n1CC(C)C COC(=O)c1occc1[*:1] CC(C)Cn1c(nc2ccc(Br)cc2c1=O)SC[*:1]
COC(=O)c1occc1CSc1nc2ccc(Br)cc2c(=O)n1CC(C)C CC(C)[*:1] COC(=O)c1occc1CSc1nc2ccc(Br)cc2c(=O)n1C[*:1]
COC(=O)c1occc1CSc1nc2ccc(Br)cc2c(=O)n1CC(C)C COC(=O)[*:1] CC(C)Cn1c(nc2ccc(Br)cc2c1=O)SCc1ccoc1[*:1]
C[C@H](C(=O)Nc1ccn(CCc2ccncc2)n1)[NH+]1CCCCCC1 c1cc(ccn1)[*:1] C[C@H](C(=O)Nc1ccn(CC[*:1])n1)[NH+]1CCCCCC1
C[C@H](C(=O)Nc1ccn(CCc2ccncc2)n1)[NH+]1CCCCCC1 c1cc(ccn1)C[*:1] C[C@H](C(=O)Nc1ccn(C[*:1])n1)[NH+]1CCCCCC1
C[C@H](C(=O)Nc1ccn(CCc2ccncc2)n1)[NH+]1CCCCCC1 c1cc(ccn1)CC[*:1] C[C@H](C(=O)Nc1ccn(n1)[*:1])[NH+]1CCCCCC1
O=C(Nc1ccccc1N1CCCC1=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1N1CCCC1=O)c1cn(nc1-c1cccnc1)[*:1]
O=C(Nc1ccccc1N1CCCC1=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 O=C1CCCN1[*:1] O=C(Nc1ccccc1[*:1])c1cn(Cc2ccccc2)nc1-c1cccnc1
O=C(Nc1ccccc1N1CCCC1=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1N1CCCC1=O)c1cn(C[*:1])nc1-c1cccnc1
O=C(Nc1ccccc1N1CCCC1=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccccc1N1CCCC1=O)c1cn(Cc2ccccc2)nc1[*:1]
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N2CCCC[C@@H]2C)c1 CC[C@@H](C)[*:1] C[C@H]1CCCCN1C(=O)NCc1cccc(c1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N2CCCC[C@@H]2C)c1 CC[C@@H](C)NC(=O)[*:1] C[C@H]1CCCCN1C(=O)NCc1cccc(c1)[*:1]
CCCc1nc(N(C)Cc2cnc(NC)nc2)c2cnn(C)c2n1 CNc1ncc(cn1)[*:1] CCCc1nc(c2cnn(C)c2n1)N(C)C[*:1]
CCCc1nc(N(C)Cc2cnc(NC)nc2)c2cnn(C)c2n1 CCC[*:1] CNc1ncc(cn1)CN(C)c1nc(nc2c1cnn2C)[*:1]
CC(C)Oc1ccc(CNC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] CC(C)Oc1ccc(cc1)CNC(=O)N(C)[C@H](C)[*:1]
CC(C)Oc1ccc(CNC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1 CC(C)O[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccc(cc1)[*:1]
CC(C)Oc1ccc(CNC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1 CC(C)[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccc(cc1)O[*:1]
O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)N[*:1]
O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)Nc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(Cn1c(C=C[*:1])nc2ccccc21)Nc1cccc(F)c1
O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)Nc1cccc(F)c1 C(=C[*:1])c1ccccc1 O=C(Cn1c(nc2ccccc21)[*:1])Nc1cccc(F)c1
COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1 COc1ccc(cc1)[*:1] O=C(NC(=S)Nc1ccc2oc(nc2c1)-c1cccc(Br)c1)[*:1]
COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1 Brc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)NC(=S)Nc1ccc2oc(nc2c1)[*:1]
COc1cc2ncn(Cc3cnn(-c4ccccc4OC)c3)c(=O)c2cc1OC COc1ccccc1[*:1] COc1cc2ncn(Cc3cnn(c3)[*:1])c(=O)c2cc1OC
Cc1ncccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ncccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[*:1]
Cc1ncccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1ncccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1[*:1]
Cc1ncccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 Cc1ncccc1[*:1] O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)C(=O)N[*:1]
C[C@@H](Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@@H](Nc1ccc2c(c1)Cc1ccccc1-2)[*:1]
O=C(NC1CCCCCC1)c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] O=C(NC1CCCCCC1)c1ccc(C[S@@](=O)[*:1])o1
O=C(NC1CCCCCC1)c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1 C1CCCC(CC1)[*:1] O=C(N[*:1])c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1
CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2nccs2)[C@@H]3C1=O CCC(CC)[*:1] CN(Cc1nccs1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@@H]13)O2
CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2nccs2)[C@@H]3C1=O CCC(CC)C[*:1] CN(Cc1nccs1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2nccs2)[C@@H]3C1=O c1csc(C[*:1])n1 CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)[*:1])[C@@H]3C1=O
CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2nccs2)[C@@H]3C1=O c1csc(n1)[*:1] CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)C[*:1])[C@@H]3C1=O
CNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)o1 CNC(=O)[*:1] O=C(OC[*:1])c1ccc(o1)-c1nc2ccccc2s1
CNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)o1 CNC(=O)C[*:1] O=C(O[*:1])c1ccc(o1)-c1nc2ccccc2s1
COC(=O)c1ccc(CNC(=O)COc2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] COC(=O)c1ccc(cc1)CNC(=O)CO[*:1]
COC(=O)c1ccc(CNC(=O)COc2ccc(C)c(C)c2)cc1 COC(=O)[*:1] Cc1ccc(cc1C)OCC(=O)NCc1ccc(cc1)[*:1]
C[C@H](O)[C@H](C)[NH2+]C(C)(C)CC(C)(C)C C[C@H](O)[*:1] C[C@H]([NH2+]C(C)(C)CC(C)(C)C)[*:1]
C[C@H](O)[C@H](C)[NH2+]C(C)(C)CC(C)(C)C CC(C)(C)[*:1] C[C@H](O)[C@H](C)[NH2+]C(C)(C)C[*:1]
O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)nc1[O-])N1CCCCC1 c1cc2OCOc2cc1[*:1] O=C(CCc1nnc(C[*:1])nc1[O-])N1CCCCC1
O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)nc1[O-])N1CCCCC1 O=C(C[*:1])N1CCCCC1 [O-]c1nc(Cc2ccc3OCOc3c2)nnc1C[*:1]
O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)nc1[O-])N1CCCCC1 O=C(N1CCCCC1)[*:1] [O-]c1nc(Cc2ccc3OCOc3c2)nnc1CC[*:1]
Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CCc2ccccc21 NC(=O)[*:1] Cn1cc(cc1C(=O)N[C@H]1CCc2ccccc21)[*:1]
O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc2ccccc2n1 O=C1CSC(=O)N1[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])c1ccc2ccccc2n1
Cc1cc(Br)ccc1NC(=O)CN1CC[NH+](CCCO)CC1 OCC[*:1] Cc1cc(Br)ccc1NC(=O)CN1CC[NH+](CC1)C[*:1]
Cc1cc(Br)ccc1NC(=O)CN1CC[NH+](CCCO)CC1 OCCC[*:1] Cc1cc(Br)ccc1NC(=O)CN1CC[NH+](CC1)[*:1]
COc1ccc(N(C)c2ccc(S(N)(=O)=O)c(N)c2)cc1 NS(=O)(=O)[*:1] COc1ccc(cc1)N(C)c1ccc(c(N)c1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)N1CC[C@](O)(C1)C(F)(F)F)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@](O)(C1)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1 Fc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)c1ncc2COCCc2n1
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1 Fc1ccc(cc1)O[*:1] C[C@H](C(=O)N1CCN(CC1)c1ncc2COCCc2n1)[*:1]
CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 c1ccc(cc1)[*:1] CC(C)Oc1cccc(c1)C(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 CC(C)O[*:1] O=C(c1cccc(c1)[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1
CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 CC(C)[*:1] O=C(c1cccc(c1)O[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1
CC(C)([NH3+])c1cc(Cl)ccc1Cl CC(C)([NH3+])[*:1] Clc1ccc(Cl)c(c1)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CCC(C)(C)C CC(C)(C)C[*:1] CCc1nc2[C@H](CCCn2n1)NS(=O)(=O)C[*:1]
CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CCC(C)(C)C CC(C)(C)CC[*:1] CCc1nc2[C@H](CCCn2n1)NS(=O)(=O)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CCC(C)(C)C CC(C)(C)[*:1] CCc1nc2[C@H](CCCn2n1)NS(=O)(=O)CC[*:1]
C[C@@](O)(CN/C=C1/C=c2ccccc2=[NH+]C1=O)c1ccsc1 c1cc(cs1)[*:1] C[C@@](O)(CN/C=C1/C=c2ccccc2=[NH+]C1=O)[*:1]
COc1ccccc1OCC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 COc1ccccc1[*:1] O=C(CO[*:1])N1CCN(CC1)c1nc2ccc(Cl)cc2s1
COc1ccccc1OCC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 COc1ccccc1O[*:1] O=C(C[*:1])N1CCN(CC1)c1nc2ccc(Cl)cc2s1
OC[C@H](Nc1nccc(Oc2ccc(F)cc2)n1)c1ccccc1 Fc1ccc(cc1)O[*:1] OC[C@H](Nc1nccc(n1)[*:1])c1ccccc1
OC[C@H](Nc1nccc(Oc2ccc(F)cc2)n1)c1ccccc1 Fc1ccc(cc1)[*:1] OC[C@H](Nc1nccc(n1)O[*:1])c1ccccc1
OC[C@H](Nc1nccc(Oc2ccc(F)cc2)n1)c1ccccc1 c1ccc(cc1)[*:1] OC[C@H](Nc1nccc(n1)Oc1ccc(F)cc1)[*:1]
CC[C@@](C)([NH2+]C[C@@H]1CN(C(C)C)CCO1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)([NH2+]C[C@@H]1CN(CCO1)C(C)C)[*:1]
CC[C@@](C)([NH2+]C[C@@H]1CN(C(C)C)CCO1)C(=O)[O-] CC(C)[*:1] CC[C@@](C)([NH2+]C[C@@H]1CN(CCO1)[*:1])C(=O)[O-]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(OCC(F)F)n1 FC(F)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NCc1cccc(n1)OC[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(OCC(F)F)n1 FC(F)C[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NCc1cccc(n1)O[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(OCC(F)F)n1 FC(F)CO[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NCc1cccc(n1)[*:1]
CC(C)O[S@@](=O)c1cccc2ccccc12 CC(C)[*:1] O=[S@](O[*:1])c1cccc2ccccc12
CN1C(=O)[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)[C@@H](O)c2ccccc21 Brc1ccc(cc1)[*:1] CN1C(=O)[C@H](C(=O)Nc2nc(cs2)[*:1])[C@@H](O)c2ccccc21
CCOC(=O)[C@H]1CCCN([C@@H](C)CS(=O)(=O)c2ccc(C)cc2)C1 CCOC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)C[C@H](C)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN([C@@H](C)CS(=O)(=O)c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCN(C1)[C@@H](C)CS(=O)(=O)[*:1]
CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 CSc1ccc(cc1)CC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nnc(s1)N1CCCC1=O
CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 CSc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nnc(s1)N1CCCC1=O
CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 CSc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)c1nnc(s1)N1CCCC1=O
CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 O=C1CCCN1[*:1] CSc1ccc(cc1)CCNC(=O)[C@@H]1CCCN(C1)c1nnc(s1)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)C1 C1CCCC(CC1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(CC(=O)N2CC(c3nc4ccccc4[nH]3)C2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])N1CC(C1)c1nc2ccccc2[nH]1
Cc1cc(C(=O)NC[C@@H](O)c2ccc3ccccc3c2)no1 Cc1cc(no1)[*:1] O=C(NC[C@@H](O)c1ccc2ccccc2c1)[*:1]
C[C@@H](C(=O)Oc1cccc(F)c1F)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](C(=O)Oc1cccc(F)c1F)[*:1]
Cn1c(COC(=O)c2cccc3c2OCCO3)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(COC(=O)c2cccc3OCCOc32)nnc1[*:1]
O=C(COc1ccccc1C(F)(F)F)N1CCNC1=O FC(F)(F)[*:1] O=C(COc1ccccc1[*:1])N1CCNC1=O
COC[C@H]1CN(C(=O)NCCC(C)C)CCO1 CC(C)C[*:1] COC[C@H]1CN(CCO1)C(=O)NC[*:1]
COC[C@H]1CN(C(=O)NCCC(C)C)CCO1 CC(C)[*:1] COC[C@H]1CN(CCO1)C(=O)NCC[*:1]
COC[C@H]1CN(C(=O)NCCC(C)C)CCO1 COC[*:1] CC(C)CCNC(=O)N1CCO[C@H](C1)[*:1]
COC[C@H]1CN(C(=O)NCCC(C)C)CCO1 CC(C)CC[*:1] COC[C@H]1CN(CCO1)C(=O)N[*:1]
CCc1ccccc1O[C@H]1CCC[C@@]([NH2+]C)(C(=O)[O-])C1 O=C([O-])[*:1] CCc1ccccc1O[C@H]1CCC[C@](C1)([NH2+]C)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3CC(N)=O)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] NC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3CC(N)=O)CCC2=O)cc1C NC(=O)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N1CCCC[C@H]1C[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3CC(N)=O)CCC2=O)cc1C NC(=O)C[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N1CCCC[C@@H]1[*:1]
Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]3CN3C[C@H](C)O[C@H](C)C3)c12 c1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)N3CCC[C@H]3CN3C[C@H](C)O[C@H](C)C3)c12)[*:1]
O=C([O-])c1cc(Sc2ccc([N+](=O)[O-])cc2)cs1 O=C([O-])[*:1] O=[N+]([O-])c1ccc(cc1)Sc1csc(c1)[*:1]
O=C([O-])c1cc(Sc2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])[*:1] O=C([O-])c1cc(cs1)Sc1ccc(cc1)[*:1]
CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2ccccc21 CSCC[*:1] O=C(N[C@@H](C(=O)N1CCc2ccccc21)[*:1])c1ccco1
CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2ccccc21 O=C(N[*:1])c1ccco1 CSCC[C@@H](C(=O)N1CCc2ccccc21)[*:1]
CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2ccccc21 c1coc(c1)[*:1] CSCC[C@@H](NC(=O)[*:1])C(=O)N1CCc2ccccc21
CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2ccccc21 CSC[*:1] O=C(N[C@H](C[*:1])C(=O)N1CCc2ccccc21)c1ccco1
FC(F)(F)CCc1noc(COC2CC[NH2+]CC2)n1 FC(F)(F)[*:1] C1CC(CC[NH2+]1)OCc1nc(CC[*:1])no1
FC(F)(F)CCc1noc(COC2CC[NH2+]CC2)n1 FC(F)(F)CC[*:1] C1CC(CC[NH2+]1)OCc1nc(no1)[*:1]
FC(F)(F)CCc1noc(COC2CC[NH2+]CC2)n1 FC(F)(F)C[*:1] C1CC(CC[NH2+]1)OCc1nc(C[*:1])no1
CN1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1 O=[N+]([O-])[*:1] CN1[C@@H](c2ccc(cc2)[*:1])[C@@H]1C(=O)c1ccccc1
CN1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN1[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H]1C(=O)[*:1]
CC(C)n1c[nH+]cc1[C@@H](O)c1cccs1 c1csc(c1)[*:1] CC(C)n1c[nH+]cc1[C@@H](O)[*:1]
CC(C)n1c[nH+]cc1[C@@H](O)c1cccs1 CC(C)[*:1] O[C@@H](c1cccs1)c1c[nH+]cn1[*:1]
CN(C[C@@H](O)C1CC1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 c1ccc(cc1)[*:1] CN(C[C@@H](O)C1CC1)C(=O)C1(CCCC1)NC(=O)NC[*:1]
CN(C[C@@H](O)C1CC1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 c1ccc(cc1)C[*:1] CN(C[C@@H](O)C1CC1)C(=O)C1(CCCC1)NC(=O)N[*:1]
CN(C[C@@H](O)C1CC1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)C1(CCCC1)NC(=O)NCc1ccccc1
CC(C)(C)c1csc(C[C@H](C(=O)[O-])c2ccccc2Cl)n1 Clc1ccccc1[*:1] CC(C)(C)c1csc(C[C@H](C(=O)[O-])[*:1])n1
CC(C)(C)c1csc(C[C@H](C(=O)[O-])c2ccccc2Cl)n1 O=C([O-])[*:1] CC(C)(C)c1csc(C[C@H](c2ccccc2Cl)[*:1])n1
CC(C)(C)c1csc(C[C@H](C(=O)[O-])c2ccccc2Cl)n1 CC(C)(C)[*:1] O=C([O-])[C@@H](Cc1nc(cs1)[*:1])c1ccccc1Cl
COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@H](c1cccs1)N(C)C2=O Cc1cccc(n1)[*:1] COc1cc2C(=O)N(C)[C@@H](c3cccs3)[C@H](C(=O)N[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@H](c1cccs1)N(C)C2=O Cc1cccc(n1)NC(=O)[*:1] COc1cc2C(=O)N(C)[C@@H](c3cccs3)[C@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@H](c1cccs1)N(C)C2=O c1csc(c1)[*:1] COc1cc2C(=O)N(C)[C@@H]([C@H](C(=O)Nc3cccc(C)n3)c2cc1OC)[*:1]
CSc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)c1 O=C(N1CCCC1)[*:1] CSc1cccc(c1)NC(=O)Cn1c(=O)cc(c2ccccc21)[*:1]
CSc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)c1 CSc1cccc(c1)[*:1] O=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)N[*:1]
CCC(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 CCC(=O)NC(=S)N[*:1] O=c1oc2ccccc2cc1-c1ccc(cc1Cl)[*:1]
O=C(NCCCc1nc2c(s1)CCCC2)N(CCO)C1CC1 C1CC1[*:1] O=C(NCCCc1nc2CCCCc2s1)N(CCO)[*:1]
O=C(NCCCc1nc2c(s1)CCCC2)N(CCO)C1CC1 OCC[*:1] O=C(NCCCc1nc2CCCCc2s1)N(C1CC1)[*:1]
COc1cc(/N=C/Cc2nnnn2-c2ccc(Cl)cc2)c(Cl)cc1C(=O)[O-] O=C([O-])[*:1] COc1cc(/N=C/Cc2nnnn2-c2ccc(Cl)cc2)c(Cl)cc1[*:1]
COc1cc(/N=C/Cc2nnnn2-c2ccc(Cl)cc2)c(Cl)cc1C(=O)[O-] Clc1ccc(cc1)[*:1] COc1cc(/N=C/Cc2nnnn2[*:1])c(Cl)cc1C(=O)[O-]
CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)C1CCC1 C1CC(C1)[*:1] CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)[*:1]
CCC1CCC(O)(CNC(=O)CN2CCC([NH3+])CC2)CC1 [NH3+]C1CCN(CC1)[*:1] CCC1CCC(O)(CC1)CNC(=O)C[*:1]
Cc1cc(Cl)ccc1NC(=O)c1c(C)sc2ncnc(N3CCC[C@@H](C)C3)c12 Cc1cc(Cl)ccc1[*:1] Cc1sc2ncnc(c2c1C(=O)N[*:1])N1CCC[C@@H](C)C1
CN(CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(=O)c1ccco1 CN(C(=O)c1ccco1)[*:1] O=C(C[*:1])Nc1nc(-c2ccccc2)c(s1)-c1ccccc1
CN(CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(=O)c1ccco1 c1ccc(cc1)[*:1] CN(CC(=O)Nc1nc(-c2ccccc2)c(s1)[*:1])C(=O)c1ccco1
CN(CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(=O)c1ccco1 c1coc(c1)[*:1] CN(CC(=O)Nc1nc(-c2ccccc2)c(s1)-c1ccccc1)C(=O)[*:1]
CN(CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(=O)c1ccco1 CN(C[*:1])C(=O)c1ccco1 O=C(Nc1nc(-c2ccccc2)c(s1)-c1ccccc1)[*:1]
CN(CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(=O)c1ccco1 c1ccc(cc1)[*:1] CN(CC(=O)Nc1nc(c(s1)-c1ccccc1)[*:1])C(=O)c1ccco1
CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2cccs2)C1 CS(=O)(=O)[*:1] O=C(CNC(=O)c1cccs1)N[C@@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2cccs2)C1 c1csc(c1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)NC(=O)CNC(=O)[*:1]
COCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 NC(=O)[*:1] COCC(=O)Nc1sc2CCCCc2c1[*:1]
COCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 COC[*:1] NC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
COCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 COCC(=O)N[*:1] NC(=O)c1c(sc2CCCCc21)[*:1]
C[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] C[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCN(C1=O)[*:1]
C[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O C[C@H](CO)[*:1] C[C@@H](NC(=O)N[C@@H]1CCN(C1=O)c1c(F)cccc1F)[*:1]
CCOC(=O)c1cccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccccc3)n2)c1 c1cncc(c1)[*:1] CCOC(=O)c1cccc(c1)NC(=O)c1cc(n(n1)-c1ccccc1)[*:1]
CCOC(=O)c1cccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] CCOC(=O)c1cccc(c1)NC(=O)c1cc(-c2cccnc2)n(n1)[*:1]
CCOC(=O)c1cccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccccc3)n2)c1 CCOC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(-c2cccnc2)n(n1)-c1ccccc1
NC(=O)[C@H]1COCCN1Cc1c(F)cccc1Br NC(=O)[*:1] Fc1cccc(Br)c1CN1CCOC[C@@H]1[*:1]
C[C@@H](C#N)CNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl C[C@@H](C#N)C[*:1] O=c1[nH]c2cc(Cl)c(cc2o1)S(=O)(=O)N[*:1]
C[C@@H](C#N)CNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl C[C@@H](C#N)[*:1] O=c1[nH]c2cc(Cl)c(cc2o1)S(=O)(=O)NC[*:1]
CCSC1=C(C#N)[C@@H](CC(C)C)C2=C([O-])CCCC2=N1 CC(C)[*:1] CCSC1N=C2CCCC([O-])=C2[C@H](C[*:1])C=1C#N
CCSC1=C(C#N)[C@@H](CC(C)C)C2=C([O-])CCCC2=N1 CCS[*:1] CC(C)C[C@@H]1C(C#N)=C(N=C2CCCC([O-])=C21)[*:1]
CCSC1=C(C#N)[C@@H](CC(C)C)C2=C([O-])CCCC2=N1 CC(C)C[*:1] CCSC1N=C2CCCC([O-])=C2[C@H](C=1C#N)[*:1]
O=C(CSCC(F)(F)F)N1CCC[C@H](c2nc3ccccc3o2)C1 FC(F)(F)C[*:1] O=C(CS[*:1])N1CCC[C@@H](C1)c1nc2ccccc2o1
O=C(CSCC(F)(F)F)N1CCC[C@H](c2nc3ccccc3o2)C1 FC(F)(F)CS[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1nc2ccccc2o1
O=C(CSCC(F)(F)F)N1CCC[C@H](c2nc3ccccc3o2)C1 FC(F)(F)[*:1] O=C(CSC[*:1])N1CCC[C@@H](C1)c1nc2ccccc2o1
O=C(CSCC(F)(F)F)N1CCC[C@H](c2nc3ccccc3o2)C1 FC(F)(F)CSC[*:1] O=C(N1CCC[C@@H](C1)c1nc2ccccc2o1)[*:1]
Cc1ccccc1C(=O)N1CCC(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 Cc1ccccc1[*:1] CC(C)CN(C(=O)C1CCN(CC1)C(=O)[*:1])c1c(N)n(CC(C)C)c(=O)[nH]c1=O
Cc1ccccc1C(=O)N1CCC(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 CC(C)C[*:1] Cc1ccccc1C(=O)N1CCC(CC1)C(=O)N(c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[*:1]
Cc1ccccc1C(=O)N1CCC(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 CC(C)C[*:1] Cc1ccccc1C(=O)N1CCC(CC1)C(=O)N(CC(C)C)c1c(N)n(c(=O)[nH]c1=O)[*:1]
Cc1ccccc1C(=O)N1CCC(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 CC(C)[*:1] Cc1ccccc1C(=O)N1CCC(CC1)C(=O)N(C[*:1])c1c(N)n(CC(C)C)c(=O)[nH]c1=O
Cc1ccccc1C(=O)N1CCC(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 CC(C)[*:1] Cc1ccccc1C(=O)N1CCC(CC1)C(=O)N(CC(C)C)c1c(N)n(C[*:1])c(=O)[nH]c1=O
Cc1sc2ncnc(N3CCC(OC[C@@H]4CCCO4)CC3)c2c1C C1CO[C@@H](C1)CO[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)[*:1]
Cc1sc2ncnc(N3CCC(OC[C@@H]4CCCO4)CC3)c2c1C C1CO[C@@H](C1)[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)OC[*:1]
Cc1sc2ncnc(N3CCC(OC[C@@H]4CCCO4)CC3)c2c1C C1CO[C@@H](C1)C[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)O[*:1]
O=c1c(O)c(/C=C\c2ccccc2)oc2ccccc12 c1ccc(cc1)[*:1] O=c1c(O)c(C=C[*:1])oc2ccccc12
C[C@@H](NC(=O)Nc1cnn(C(C)(C)C)c1)c1ccccc1-n1cccn1 c1cnn(c1)[*:1] C[C@@H](NC(=O)Nc1cnn(c1)C(C)(C)C)c1ccccc1[*:1]
C[C@@H](NC(=O)Nc1cnn(C(C)(C)C)c1)c1ccccc1-n1cccn1 CC(C)(C)[*:1] C[C@@H](NC(=O)Nc1cnn(c1)[*:1])c1ccccc1-n1cccn1
C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OC(F)F)c2)C1 FC(F)O[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OC(F)F)c2)C1 FC(F)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)O[*:1]
COC(=O)c1ccc(CO/N=C(/N)c2ccc(C#N)cn2)cc1F N#Cc1ccc(nc1)[*:1] COC(=O)c1ccc(cc1F)CO/N=C(/N)[*:1]
COC(=O)c1ccc(CO/N=C(/N)c2ccc(C#N)cn2)cc1F COC(=O)[*:1] N#Cc1ccc(nc1)/C(N)=N\OCc1ccc(c(F)c1)[*:1]
COC(=O)Cn1cnc2c(sc3ncccc32)c1=O COC(=O)C[*:1] O=c1c2sc3ncccc3c2ncn1[*:1]
COC(=O)Cn1cnc2c(sc3ncccc32)c1=O COC(=O)[*:1] O=c1c2sc3ncccc3c2ncn1C[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 CN1C[C@@H](CC1=O)[*:1] C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 Clc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)C(=O)[C@@H]1CC(=O)N(C)C1
Cn1c(SCC(=O)N2CCCCCC2)nnc1-c1cccnc1 c1cncc(c1)[*:1] Cn1c(nnc1[*:1])SCC(=O)N1CCCCCC1
Cc1ncccc1C(=O)N[C@@]1(C(=O)[O-])CCC[C@@H](C)C1 O=C([O-])[*:1] Cc1ncccc1C(=O)N[C@]1(CCC[C@@H](C)C1)[*:1]
CCC[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)[O-] CC(C)(C)[*:1] CCC[C@H]([NH2+]Cc1nc(cs1)[*:1])C(=O)[O-]
CCC[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)[O-] O=C([O-])[*:1] CCC[C@H]([NH2+]Cc1nc(cs1)C(C)(C)C)[*:1]
CCC[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)[O-] CCC[*:1] CC(C)(C)c1csc(C[NH2+][C@H](C(=O)[O-])[*:1])n1
C[C@H]([NH3+])Cc1ccc(O[C@H]2CCOC3(CCC3)C2)cc1 C[C@H]([NH3+])C[*:1] c1cc(ccc1O[C@H]1CCOC2(CCC2)C1)[*:1]
C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(OC)OC COC(OC)[*:1] C[NH2+][C@@H](Cc1ccc(Cl)cc1)[*:1]
CCn1c(SCc2cc(=O)n3cccc(C)c3n2)nnc1N1CCOCC1 C1CN(CCO1)[*:1] CCn1c(nnc1[*:1])SCc1cc(=O)n2cccc(C)c2n1
CCN(CC)C(=O)c1ccc(OCc2ccccc2)nc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccc(nc1)OC[*:1]
CCN(CC)C(=O)c1ccc(OCc2ccccc2)nc1 c1ccc(cc1)C[*:1] CCN(CC)C(=O)c1ccc(nc1)O[*:1]
CCN(CC)C(=O)c1ccc(OCc2ccccc2)nc1 CCN(CC)C(=O)[*:1] c1ccc(cc1)COc1ccc(cn1)[*:1]
Cc1cnc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)s1 CC(C)[*:1] Cc1cnc(NC(=O)CSCc2nc3sc(cc3c(=O)[nH]2)[*:1])s1
Cc1cnc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)s1 Cc1cnc(s1)[*:1] CC(C)c1cc2c(=O)[nH]c(CSCC(=O)N[*:1])nc2s1
C[NH+](C)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2Oc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1ccccc1O[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2Oc2cccc(F)c2)C1 Fc1cccc(c1)O[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1ccccc1[*:1]
CCCOc1ncnc(N[C@H](C)c2ccccc2F)c1N Fc1ccccc1[*:1] CCCOc1ncnc(N[C@H](C)[*:1])c1N
CCCOc1ncnc(N[C@H](C)c2ccccc2F)c1N CCCO[*:1] C[C@@H](Nc1ncnc(c1N)[*:1])c1ccccc1F
CCCOc1ncnc(N[C@H](C)c2ccccc2F)c1N CCC[*:1] C[C@@H](Nc1ncnc(O[*:1])c1N)c1ccccc1F
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)CC2=O)cc1 CC1CCN(CC1)C(=O)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
O=C(c1cnc(Oc2ccccc2)cn1)N1CCCc2cccc(Cl)c21 c1ccc(cc1)[*:1] O=C(c1cnc(cn1)O[*:1])N1CCCc2cccc(Cl)c21
O=C(c1cnc(Oc2ccccc2)cn1)N1CCCc2cccc(Cl)c21 c1ccc(cc1)O[*:1] O=C(c1cnc(cn1)[*:1])N1CCCc2cccc(Cl)c21
OC1CCN(C2CC[NH+](Cc3cccc(Cn4cccn4)c3)CC2)CC1 c1cnn(c1)C[*:1] OC1CCN(CC1)C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
OC1CCN(C2CC[NH+](Cc3cccc(Cn4cccn4)c3)CC2)CC1 OC1CCN(CC1)[*:1] c1cc(cc(c1)C[NH+]1CCC(CC1)[*:1])Cn1cccn1
OC1CCN(C2CC[NH+](Cc3cccc(Cn4cccn4)c3)CC2)CC1 c1cnn(c1)[*:1] OC1CCN(CC1)C1CC[NH+](CC1)Cc1cccc(c1)C[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1 CC(C)NC(=O)[*:1] CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(cc1)C[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1 CC(C)NC(=O)C[*:1] CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1 CC(C)[*:1] CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(cc1)CC(=O)N[*:1]
Cc1ccccc1[C@H](CC(=O)N1c2ccccc2C[C@@H]1C)NC(N)=O NC(=O)N[*:1] Cc1ccccc1[C@H](CC(=O)N1c2ccccc2C[C@@H]1C)[*:1]
Cc1ccccc1[C@H](CC(=O)N1c2ccccc2C[C@@H]1C)NC(N)=O Cc1ccccc1[*:1] C[C@H]1Cc2ccccc2N1C(=O)C[C@H](NC(N)=O)[*:1]
C=CCN(CC(=O)[O-])c1nc2ccccc2s1 O=C([O-])C[*:1] C=CCN(c1nc2ccccc2s1)[*:1]
C=CCN(CC(=O)[O-])c1nc2ccccc2s1 O=C([O-])[*:1] C=CCN(C[*:1])c1nc2ccccc2s1
C=CCN(CC(=O)[O-])c1nc2ccccc2s1 C=CC[*:1] O=C([O-])CN(c1nc2ccccc2s1)[*:1]
O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1cccc(c1)[*:1]
O=C1[C@@H]2CCCCN2C(=O)CCN1CCc1ccco1 c1coc(c1)C[*:1] O=C1[C@@H]2CCCCN2C(=O)CCN1C[*:1]
O=C1[C@@H]2CCCCN2C(=O)CCN1CCc1ccco1 c1coc(c1)[*:1] O=C1[C@@H]2CCCCN2C(=O)CCN1CC[*:1]
N#Cc1ccc(N(C(=O)COc2cc(F)ccc2F)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)COc1cc(F)ccc1F)[*:1]
N#Cc1ccc(N(C(=O)COc2cc(F)ccc2F)C2CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(COc1cc(F)ccc1F)N(C1CC1)[*:1]
N#Cc1ccc(N(C(=O)COc2cc(F)ccc2F)C2CC2)cc1 Fc1ccc(F)c(c1)[*:1] N#Cc1ccc(cc1)N(C(=O)CO[*:1])C1CC1
CS(=O)(=O)c1ccc(CCNC(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)cc1 CS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
COCCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COCCNC(=O)N1CCC(CC1)C[NH+](C)C[*:1]
COCCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 COC[*:1] C[NH+](Cc1ccccc1)CC1CCN(CC1)C(=O)NC[*:1]
COCCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 COCC[*:1] C[NH+](Cc1ccccc1)CC1CCN(CC1)C(=O)N[*:1]
COCCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] COCCNC(=O)N1CCC(CC1)C[NH+](C)[*:1]
C[C@]1(NC(=O)c2cccc(NC(=O)c3cccs3)c2)CCS(=O)(=O)C1 c1csc(c1)[*:1] C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1cccc(c1)NC(=O)[*:1]
C[C@]1(NC(=O)c2cccc(NC(=O)c3cccs3)c2)CCS(=O)(=O)C1 O=C(N[*:1])c1cccs1 C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1cccc(c1)[*:1]
N#CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 N#CCC[*:1] O=C(N[*:1])[C@H]1C[C@H](O)C[NH2+]1
N#CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 N#CC[*:1] O=C(NC[*:1])[C@H]1C[C@H](O)C[NH2+]1
CCS(=O)(=O)c1ccccc1C(=O)NC(C)C CCS(=O)(=O)[*:1] CC(C)NC(=O)c1ccccc1[*:1]
CCS(=O)(=O)c1ccccc1C(=O)NC(C)C CC(C)[*:1] CCS(=O)(=O)c1ccccc1C(=O)N[*:1]
Cc1cc(C)n(-c2ccc(CN3CCN(C(=O)N4CCCCC4)CC3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(N1CCCCC1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CC(C)n1nccc1NC(=O)CN1CCO[C@H](Cn2cncn2)C1 c1ncn(C[*:1])n1 CC(C)n1nccc1NC(=O)CN1CCO[C@H](C1)[*:1]
CC(C)n1nccc1NC(=O)CN1CCO[C@H](Cn2cncn2)C1 CC(C)[*:1] O=C(CN1CCO[C@@H](C1)Cn1cncn1)Nc1ccnn1[*:1]
CC(C)n1nccc1NC(=O)CN1CCO[C@H](Cn2cncn2)C1 c1ncn(n1)[*:1] CC(C)n1nccc1NC(=O)CN1CCO[C@@H](C1)C[*:1]
CC(C)n1nccc1NC(=O)CN1CCO[C@H](Cn2cncn2)C1 CC(C)n1nccc1[*:1] O=C(CN1CCO[C@@H](C1)Cn1cncn1)N[*:1]
CC(C)[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 CC(C)[*:1] C[C@@H](CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)[*:1]
CCOC(=O)C1CCN(c2nc(=O)c3c([nH]2)NC([O-])=C(C#N)[C@@H]3c2sccc2C)CC1 Cc1ccsc1[*:1] CCOC(=O)C1CCN(CC1)c1nc(=O)c2c(NC([O-])=C(C#N)[C@H]2[*:1])[nH]1
CCOC(=O)C1CCN(c2nc(=O)c3c([nH]2)NC([O-])=C(C#N)[C@@H]3c2sccc2C)CC1 CCOC(=O)[*:1] Cc1ccsc1[C@H]1C(C#N)=C([O-])Nc2[nH]c(nc(=O)c21)N1CCC(CC1)[*:1]
CC1CC[NH+](CCCn2c([O-])c3sc4ccc([N+](=O)[O-])cc4c3nc2=S)CC1 O=[N+]([O-])[*:1] CC1CC[NH+](CCCn2c([O-])c3sc4ccc(cc4c3nc2=S)[*:1])CC1
O=C(CSc1nnc2ccc(-c3cccnc3)nn12)NC1CCCCC1 c1cncc(c1)[*:1] O=C(CSc1nnc2ccc(nn12)[*:1])NC1CCCCC1
O=C(CSc1nnc2ccc(-c3cccnc3)nn12)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1nnc2ccc(nn12)-c1cccnc1)N[*:1]
CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ncnn1C Cn1ncnc1[*:1] CN(CC(=O)N1CCc2cc(ccc21)[N+](=O)[O-])C[*:1]
CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ncnn1C Cn1ncnc1C[*:1] CN(CC(=O)N1CCc2cc(ccc21)[N+](=O)[O-])[*:1]
CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ncnn1C O=[N+]([O-])[*:1] CN(CC(=O)N1CCc2cc(ccc21)[*:1])Cc1ncnn1C
COc1nn(C)cc1C(=O)Nc1ccccc1N1CCNC(=O)C1 COc1nn(C)cc1[*:1] O=C1CN(CCN1)c1ccccc1NC(=O)[*:1]
COc1nn(C)cc1C(=O)Nc1ccccc1N1CCNC(=O)C1 O=C1CN(CCN1)[*:1] COc1nn(C)cc1C(=O)Nc1ccccc1[*:1]
CC(C)[C@H]([NH3+])C(=O)N(CC(=O)c1cccs1)C(C)C c1csc(c1)[*:1] CC(C)[C@H]([NH3+])C(=O)N(CC(=O)[*:1])C(C)C
CC(C)[C@H]([NH3+])C(=O)N(CC(=O)c1cccs1)C(C)C CC(C)[*:1] CC(C)N(CC(=O)c1cccs1)C(=O)[C@@H]([NH3+])[*:1]
CC(C)[C@H]([NH3+])C(=O)N(CC(=O)c1cccs1)C(C)C CC(C)[*:1] CC(C)[C@H]([NH3+])C(=O)N(CC(=O)c1cccs1)[*:1]
Cc1ccc(S(=O)(=O)CC(=O)NCCN2CCN(c3nc4ccccc4s3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])NCCN1CCN(CC1)c1nc2ccccc2s1
Cc1ccc(S(=O)(=O)CC(=O)NCCN2CCN(c3nc4ccccc4s3)CC2)cc1 c1ccc2sc(nc2c1)[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)NCCN1CCN(CC1)[*:1]
Cc1ccc(S(=O)(=O)CC(=O)NCCN2CCN(c3nc4ccccc4s3)CC2)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] O=C(C[*:1])NCCN1CCN(CC1)c1nc2ccccc2s1
NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(F)cc3)C(=O)N12 Fc1ccc(cc1)C[*:1] NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)N[*:1])C(=O)N12
NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(F)cc3)C(=O)N12 Fc1ccc(cc1)[*:1] NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NC[*:1])C(=O)N12
NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(F)cc3)C(=O)N12 NC(=O)[*:1] O=C(C[C@@H]1N=C2c3ccccc3N=C(SC[*:1])N2C1=O)NCc1ccc(F)cc1
NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(F)cc3)C(=O)N12 NC(=O)C[*:1] O=C(C[C@@H]1N=C2c3ccccc3N=C(S[*:1])N2C1=O)NCc1ccc(F)cc1
O=C(COC(=O)C1CCC1)Nc1ccccc1C(=O)c1ccccc1 C1CC(C1)[*:1] O=C(COC(=O)[*:1])Nc1ccccc1C(=O)c1ccccc1
O=C(COC(=O)C1CCC1)Nc1ccccc1C(=O)c1ccccc1 O=C(OC[*:1])C1CCC1 O=C(c1ccccc1)c1ccccc1NC(=O)[*:1]
O=C(COC(=O)C1CCC1)Nc1ccccc1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(COC(=O)C1CCC1)Nc1ccccc1[*:1]
O=C(COC(=O)C1CCC1)Nc1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(COC(=O)C1CCC1)Nc1ccccc1C(=O)[*:1]
O=C(COC(=O)C1CCC1)Nc1ccccc1C(=O)c1ccccc1 O=C(O[*:1])C1CCC1 O=C(C[*:1])Nc1ccccc1C(=O)c1ccccc1
COc1c(CN[C@H](c2ccc(F)cc2)c2cccs2)c(C)nn1C c1csc(c1)[*:1] COc1c(CN[C@H](c2ccc(F)cc2)[*:1])c(C)nn1C
COc1c(CN[C@H](c2ccc(F)cc2)c2cccs2)c(C)nn1C Fc1ccc(cc1)[*:1] COc1c(CN[C@H](c2cccs2)[*:1])c(C)nn1C
Cc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)s1 Cn1cc(cn1)[*:1] Cc1ccc(s1)[C@@H]1CCCN1C(=O)N[C@H]1CCCN(C1)[*:1]
Cc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)s1 Cc1ccc(s1)[*:1] Cn1cc(cn1)N1CCC[C@@H](C1)NC(=O)N1CCC[C@H]1[*:1]
CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1C c1ccc(cc1)O[*:1] CCNC(=O)c1cc(ccc1C)S(=O)(=O)Nc1ccccc1[*:1]
CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1C c1ccc(cc1)[*:1] CCNC(=O)c1cc(ccc1C)S(=O)(=O)Nc1ccccc1O[*:1]
CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1C CCNC(=O)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Nc1ccccc1Oc1ccccc1
Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)n[nH]2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cc(n[nH]1)C(=O)N[*:1]
Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)n[nH]2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)c1cc([nH]n1)[*:1]
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1 Clc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)-c1nnc(o1)SCC(=O)N[*:1]
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1 CC(=O)N[*:1] O=C(CSc1nnc(o1)-c1ccc(cc1)[*:1])Nc1cccc(Cl)c1
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(C(=O)C[NH+](C)C)CC1 COc1ccccc1[*:1] C[C@H](NC(=O)[C@@H](C)N1CCN(CC1)C(=O)C[NH+](C)C)[*:1]
CC[C@@H](C)[C@H](C[NH2+]C)c1cccc(C(F)(F)F)c1 CC[C@@H](C)[*:1] C[NH2+]C[C@H](c1cccc(c1)C(F)(F)F)[*:1]
CC[C@@H](C)[C@H](C[NH2+]C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@@H](C)[C@H](C[NH2+]C)c1cccc(c1)[*:1]
Cc1cccc(OCCn2cnc3ccc(Cl)cc3c2=O)c1 Cc1cccc(c1)[*:1] O=c1c2cc(Cl)ccc2ncn1CCO[*:1]
C[NH+](C)[C@@H](CNC(=O)Cn1cnnn1)c1ccsc1 c1cc(cs1)[*:1] C[NH+](C)[C@@H](CNC(=O)Cn1cnnn1)[*:1]
C[NH+](C)[C@@H](CNC(=O)Cn1cnnn1)c1ccsc1 c1nnnn1[*:1] C[NH+](C)[C@@H](CNC(=O)C[*:1])c1ccsc1
C[NH+](C)[C@@H](CNC(=O)Cn1cnnn1)c1ccsc1 c1nnnn1C[*:1] C[NH+](C)[C@@H](CNC(=O)[*:1])c1ccsc1
Cc1nn(C)c(C)c1NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] Cc1nn(C)c(C)c1NC(=O)CN1CCc2cc(ccc21)[*:1]
Cc1nn(C)c(C)c1NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 Cc1nn(C)c(C)c1[*:1] NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)N[*:1]
C[C@@H](NC(=O)/C=C/c1cccs1)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)C=C[*:1])c1cccs1
C[C@@H](NC(=O)/C=C/c1cccs1)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)/C=C/c1cccs1)[*:1]
CCOCC(=O)Oc1ccc(Cl)c2ccccc12 CCO[*:1] O=C(C[*:1])Oc1ccc(Cl)c2ccccc12
CCOCC(=O)Oc1ccc(Cl)c2ccccc12 CCOC[*:1] O=C(Oc1ccc(Cl)c2ccccc12)[*:1]
O=C(Cc1cccc(F)c1)NCCNC(=O)NC[C@@H]1CCC[C@@H]1O Fc1cccc(c1)[*:1] O=C(C[*:1])NCCNC(=O)NC[C@@H]1CCC[C@@H]1O
O=C(Cc1cccc(F)c1)NCCNC(=O)NC[C@@H]1CCC[C@@H]1O Fc1cccc(c1)C[*:1] O=C(NCCNC(=O)[*:1])NC[C@@H]1CCC[C@@H]1O
COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1 O=C1CCCCN1[*:1] COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(c1)[*:1]
CNC(=O)CN1CCC([NH2+][C@H](CC(C)C)c2ccccn2)CC1 CC(C)C[*:1] CNC(=O)CN1CCC(CC1)[NH2+][C@H](c1ccccn1)[*:1]
CNC(=O)CN1CCC([NH2+][C@H](CC(C)C)c2ccccn2)CC1 c1ccc(nc1)[*:1] CNC(=O)CN1CCC(CC1)[NH2+][C@H](CC(C)C)[*:1]
CNC(=O)CN1CCC([NH2+][C@H](CC(C)C)c2ccccn2)CC1 CC(C)[*:1] CNC(=O)CN1CCC(CC1)[NH2+][C@H](C[*:1])c1ccccn1
CNC(=O)CN1CCC([NH2+][C@H](CC(C)C)c2ccccn2)CC1 CNC(=O)[*:1] CC(C)C[C@@H]([NH2+]C1CCN(CC1)C[*:1])c1ccccn1
CNC(=O)CN1CCC([NH2+][C@H](CC(C)C)c2ccccn2)CC1 CNC(=O)C[*:1] CC(C)C[C@@H]([NH2+]C1CCN(CC1)[*:1])c1ccccn1
COc1ccc2nc(N3CCC[C@@H](Cn4cncn4)C3)c(C)cc2c1 c1ncn(n1)[*:1] COc1ccc2nc(c(C)cc2c1)N1CCC[C@H](C1)C[*:1]
COc1ccc2nc(N3CCC[C@@H](Cn4cncn4)C3)c(C)cc2c1 c1ncn(C[*:1])n1 COc1ccc2nc(c(C)cc2c1)N1CCC[C@@H](C1)[*:1]
CCOc1ccc(C[NH+](C)Cn2nc3n(C)c(=O)c4ccccc4n3c2=S)cc1 CCO[*:1] Cn1c(=O)c2ccccc2n2c(=S)n(C[NH+](C)Cc3ccc(cc3)[*:1])nc12
CCOc1ccc(C[NH+](C)Cn2nc3n(C)c(=O)c4ccccc4n3c2=S)cc1 CCOc1ccc(cc1)[*:1] Cn1c(=O)c2ccccc2n2c(=S)n(C[NH+](C)C[*:1])nc12
CCC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@]1(C)CCCO1 CCC[*:1] C[C@]1(CCCO1)[C@H]([NH2+][*:1])c1ccc2[nH]c(=O)[nH]c2c1
CCSc1ccc(Cl)cc1C(=O)NN1CCOCC1 CCS[*:1] O=C(NN1CCOCC1)c1cc(Cl)ccc1[*:1]
O=S(=O)(/N=C(\[O-])CSc1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(/N=C(\[O-])CSc1ccc(F)cc1)[*:1]
Cc1ccc(C(=O)Nc2cccc(Cl)c2C(N)=O)cc1F NC(=O)[*:1] Cc1ccc(cc1F)C(=O)Nc1cccc(Cl)c1[*:1]
COc1cc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(OC)c(nc1[N+](=O)[O-])[*:1]
C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccsc1C(=O)OC C#CC[*:1] COC(=O)c1sccc1S(=O)(=O)N(Cc1ccc(F)cc1)[*:1]
C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccsc1C(=O)OC Fc1ccc(cc1)C[*:1] C#CCN(S(=O)(=O)c1ccsc1C(=O)OC)[*:1]
C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccsc1C(=O)OC COC(=O)[*:1] C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccsc1[*:1]
C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccsc1C(=O)OC Fc1ccc(cc1)[*:1] C#CCN(C[*:1])S(=O)(=O)c1ccsc1C(=O)OC
CCCCCC(=O)N1CCO[C@H](C(N)=S)C1 CCCC[*:1] NC(=S)[C@@H]1CN(CCO1)C(=O)C[*:1]
CCCCCC(=O)N1CCO[C@H](C(N)=S)C1 CCC[*:1] NC(=S)[C@@H]1CN(CCO1)C(=O)CC[*:1]
CCCCCC(=O)N1CCO[C@H](C(N)=S)C1 CCCCC[*:1] NC(=S)[C@@H]1CN(CCO1)C(=O)[*:1]
CCCCCC(=O)N1CCO[C@H](C(N)=S)C1 NC(=S)[*:1] CCCCCC(=O)N1CCO[C@H](C1)[*:1]
COc1cccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1OC c1ccc(cc1)[*:1] COc1cccc(CN2CCC[C@@H]2[C@@H](C#N)[*:1])c1OC
COc1ccc(C(=O)NNc2ncnc(Cl)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C(=O)NNc1ncnc(Cl)c1[*:1]
CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H](C)C[C@H]2C)cc1 CNS(=O)(=O)[*:1] C[C@H]1CCN(C(=O)NCc2ccc(cc2)C[*:1])[C@H](C)C1
CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H](C)C[C@H]2C)cc1 CNS(=O)(=O)C[*:1] C[C@H]1CCN(C(=O)NCc2ccc(cc2)[*:1])[C@H](C)C1
CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H]3C[C@H]3c3ccccc3)c2)n1 CCc1noc(n1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H]3C[C@H]3c3ccccc3)c2)n1 c1ccc(cc1)[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)N[C@@H]1C[C@@H]1[*:1]
CCO[C@H]1C[C@@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 CCO[*:1] N#Cc1ccnc(c1)N1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
O=S(=O)(Cc1ccc(Cl)cc1)c1ccc2ccccc2c1 Clc1ccc(cc1)[*:1] O=S(=O)(C[*:1])c1ccc2ccccc2c1
C[C@@H](C(=O)OC1([C@H]2CCOC2)CC1)c1ccc(Cl)c(Cl)c1 C1C[C@@H](CO1)[*:1] C[C@@H](C(=O)OC1(CC1)[*:1])c1ccc(Cl)c(Cl)c1
C[C@@H](NC(=O)NCc1ccnn1C)c1ccc(Cl)s1 Cn1nccc1[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)NCc1ccnn1C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)NCc1ccnn1C)[*:1]
CC[C@H](C)c1ccccc1OCC(=O)NN1CCOCC1 CC[C@H](C)[*:1] O=C(COc1ccccc1[*:1])NN1CCOCC1
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 c1coc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCCC1)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(c1)[*:1]
COc1ccc(C[NH+](CN2N=C(c3ccc(F)c(C)c3)N[N-]2)C2CC2)cc1 Cc1cc(ccc1F)[*:1] COc1ccc(cc1)C[NH+](CN1N=C(N[N-]1)[*:1])C1CC1
COc1ccc(C[NH+](CN2N=C(c3ccc(F)c(C)c3)N[N-]2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)C[NH+](CN1N=C(N[N-]1)c1ccc(F)c(C)c1)[*:1]
COc1ccc(C[NH+](CN2N=C(c3ccc(F)c(C)c3)N[N-]2)C2CC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(ccc1F)C1=NN(C[NH+](C[*:1])C2CC2)[N-]N1
COc1ccc(C[NH+](CN2N=C(c3ccc(F)c(C)c3)N[N-]2)C2CC2)cc1 COc1ccc(cc1)C[*:1] Cc1cc(ccc1F)C1=NN(C[NH+](C2CC2)[*:1])[N-]N1
NC(=O)c1cnc(N2CCC[C@H](c3nnc4ccccn34)C2)c(Cl)c1 NC(=O)[*:1] Clc1cc(cnc1N1CCC[C@@H](C1)c1nnc2ccccn12)[*:1]
CC1=C(C(=O)OCCOc2ccccc2)[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 c1ccc(cc1)OCC[*:1] CC1N[C@]2(O)c3ccccc3C(=O)[C@@]2(O)C=1C(=O)O[*:1]
CC1=C(C(=O)OCCOc2ccccc2)[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 c1ccc(cc1)O[*:1] CC1N[C@]2(O)c3ccccc3C(=O)[C@@]2(O)C=1C(=O)OCC[*:1]
CC1=C(C(=O)OCCOc2ccccc2)[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 c1ccc(cc1)[*:1] CC1N[C@]2(O)c3ccccc3C(=O)[C@@]2(O)C=1C(=O)OCCO[*:1]
CC1=C(C(=O)OCCOc2ccccc2)[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 c1ccc(cc1)OC[*:1] CC1N[C@]2(O)c3ccccc3C(=O)[C@@]2(O)C=1C(=O)OC[*:1]
O=C(OCCc1cccs1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(OCCc1cccs1)c1ccc(cc1)[*:1]
O=C(OCCc1cccs1)c1ccc([N+](=O)[O-])cc1 c1csc(c1)[*:1] O=C(OCC[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(OCCc1cccs1)c1ccc([N+](=O)[O-])cc1 c1csc(c1)C[*:1] O=C(OC[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@@H](C(=O)Nc1cc(F)ccc1F)[S@](=O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1cc(F)ccc1F)[S@](=O)C[*:1]
C[C@@H](C(=O)Nc1cc(F)ccc1F)[S@](=O)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)Nc1cc(F)ccc1F)[S@](=O)[*:1]
S=C(NCc1ccccc1)N[C@H]1CCCc2ccccc21 c1ccc(cc1)C[*:1] S=C(N[C@H]1CCCc2ccccc21)N[*:1]
S=C(NCc1ccccc1)N[C@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] S=C(NC[*:1])N[C@H]1CCCc2ccccc21
CCc1nn(C)cc1C(=O)Nc1nc(-c2ccccc2C)cs1 Cc1ccccc1[*:1] CCc1nn(C)cc1C(=O)Nc1nc(cs1)[*:1]
Cc1noc(C)c1NCc1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1noc(C)c1NCc1ccc(cc1)[*:1]
O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccco2)cc1)c1ccco1 c1coc(c1)[*:1] O=C(N/N=C/c1ccc(/C=N/NC(=O)[*:1])cc1)c1ccco1
Clc1cccc(-c2nnc(C[NH+]3CCSC4(CCCCC4)C3)o2)c1 Clc1cccc(c1)[*:1] C1CCC2(CC1)C[NH+](CCS2)Cc1nnc(o1)[*:1]
Cc1cn2c([nH+]1)CC[C@@H](NC(=O)COCCc1ccccc1)C2 c1ccc(cc1)[*:1] Cc1cn2C[C@@H](CCc2[nH+]1)NC(=O)COCC[*:1]
Cc1cn2c([nH+]1)CC[C@@H](NC(=O)COCCc1ccccc1)C2 c1ccc(cc1)C[*:1] Cc1cn2C[C@@H](CCc2[nH+]1)NC(=O)COC[*:1]
CC(C)(CNC(=O)N[C@H]1C[C@H]1C1CCCCC1)c1ccncc1 C1CCC(CC1)[*:1] CC(C)(CNC(=O)N[C@H]1C[C@@H]1[*:1])c1ccncc1
CC(C)(CNC(=O)N[C@H]1C[C@H]1C1CCCCC1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N[C@H]1C[C@H]1C1CCCCC1)[*:1]
Cc1cc(NCc2cc(-c3ccccc3)on2)ccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])NCc1cc(on1)[*:1]
Cc1cc(NCc2cc(-c3ccccc3)on2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])NCc1cc(on1)-c1ccccc1
C[C@H](CCCO)Nc1ccccc1F OCC[*:1] C[C@H](C[*:1])Nc1ccccc1F
C[C@H](CCCO)Nc1ccccc1F OCCC[*:1] C[C@H](Nc1ccccc1F)[*:1]
CCOc1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)cc1 CCO[*:1] O=C(COC(=O)c1ccc2ccccc2n1)c1ccc(cc1)[*:1]
Cc1ccc(C2(CN3CCN(S(=O)(=O)N(C)C)CC3)CCCC2)cc1 Cc1ccc(cc1)[*:1] CN(C)S(=O)(=O)N1CCN(CC1)CC1(CCCC1)[*:1]
COC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)[*:1]
COC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 COC[*:1] O=C(Cc1c[nH]c2ccccc12)N[C@@H](c1ccc(F)c(F)c1)[*:1]
Cc1nc(C)c(COC(=O)c2ccc(OC(C)C)nc2)s1 CC(C)O[*:1] Cc1nc(C)c(COC(=O)c2ccc(nc2)[*:1])s1
Cc1nc(C)c(COC(=O)c2ccc(OC(C)C)nc2)s1 Cc1nc(C)c(s1)[*:1] CC(C)Oc1ccc(cn1)C(=O)OC[*:1]
Cc1nc(C)c(COC(=O)c2ccc(OC(C)C)nc2)s1 CC(C)[*:1] Cc1nc(C)c(COC(=O)c2ccc(nc2)O[*:1])s1
O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[C@@H]1CC(=O)N(C1)[*:1])c1ccc(Cl)cc1
O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C[C@H](CN1c1ccccc1)c1nnc(NC(=O)[*:1])o1
Cc1nc(CS(=O)(=O)[C@@H](C)C(=O)N2CCCCC2)sc1C Cc1nc(sc1C)[*:1] C[C@@H](C(=O)N1CCCCC1)S(=O)(=O)C[*:1]
COCC1CCN(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 COC[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)N2CCC(CC2)[*:1])c1=O
COCC1CCN(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 Cn1cnn(c1=O)[*:1] COCC1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
O=C(CN1CCN(c2ccc(F)cc2)CC1)NCC1CCCCC1 C1CCC(CC1)C[*:1] O=C(CN1CCN(CC1)c1ccc(F)cc1)N[*:1]
O=C(CN1CCN(c2ccc(F)cc2)CC1)NCC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN1CCN(CC1)c1ccc(F)cc1)NC[*:1]
O=C(CN1CCN(c2ccc(F)cc2)CC1)NCC1CCCCC1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)[*:1])NCC1CCCCC1
Cc1cc([C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)CCC4)C2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@]1(NC(=O)N(CC(=O)c2ccc3CCCc3c2)C1=O)[*:1]
Cc1cc([C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)CCC4)C2=O)c(C)o1 c1cc2CCCc2cc1[*:1] Cc1cc(c(C)o1)[C@]1(C)NC(=O)N(CC(=O)[*:1])C1=O
CC(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)[*:1]
CC(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)N1CCOCC1 Clc1ccc(Cl)c(c1)[*:1] CC(C)[C@H](CNC(=O)C(=O)N[*:1])N1CCOCC1
CC(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)N1CCOCC1 CC(C)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])C(=O)Nc1cc(Cl)ccc1Cl
Cc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1-n1cccc1 Fc1ccc(cc1Cl)[*:1] Cc1nnc(SCC(=O)N[*:1])n1-n1cccc1
O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc(-c2ccccc2)cc1 O=C1CSC(=O)N1[*:1] O=C(N[C@@H]1CCCC[C@@H]1[*:1])c1ccc(cc1)-c1ccccc1
O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc(cc1)[*:1]
O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCc2cc(F)ccc2C1 FC(F)(F)[*:1] O=C(CN[C@@H](c1ccccc1)[*:1])N1CCc2cc(F)ccc2C1
O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCc2cc(F)ccc2C1 c1ccc(cc1)[*:1] O=C(CN[C@@H](C(F)(F)F)[*:1])N1CCc2cc(F)ccc2C1
Cc1ccc2c(c1)=C(CCN1C[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CC1=O)C[NH+]=2 NC(=O)c1ccc(cc1)[*:1] Cc1ccc2=[NH+]CC(CCN3C[C@@H](CC3=O)C(=O)N[*:1])=c2c1
Cc1ccc2c(c1)=C(CCN1C[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CC1=O)C[NH+]=2 NC(=O)[*:1] Cc1ccc2=[NH+]CC(CCN3C[C@@H](CC3=O)C(=O)Nc3ccc(cc3)[*:1])=c2c1
O=C1O[C@@H]2C[C@H]1N(C(=O)C1(c3cccs3)CCCC1)C2 c1csc(c1)[*:1] O=C1O[C@@H]2C[C@H]1N(C2)C(=O)C1(CCCC1)[*:1]
CCCN1CC(=O)N(Cc2cccc(C(N)=S)c2)CC1=O NC(=S)[*:1] CCCN1CC(=O)N(CC1=O)Cc1cccc(c1)[*:1]
CCCN1CC(=O)N(Cc2cccc(C(N)=S)c2)CC1=O CCC[*:1] NC(=S)c1cccc(c1)CN1CC(=O)N(CC1=O)[*:1]
CCCOc1ccc(Cl)cc1C(=O)N(CC)Cc1ccccn1 CCCO[*:1] CCN(Cc1ccccn1)C(=O)c1cc(Cl)ccc1[*:1]
CCCOc1ccc(Cl)cc1C(=O)N(CC)Cc1ccccn1 CCC[*:1] CCN(Cc1ccccn1)C(=O)c1cc(Cl)ccc1O[*:1]
CCCOc1ccc(Cl)cc1C(=O)N(CC)Cc1ccccn1 c1ccc(nc1)[*:1] CCCOc1ccc(Cl)cc1C(=O)N(CC)C[*:1]
CCCOc1ccc(Cl)cc1C(=O)N(CC)Cc1ccccn1 c1ccc(C[*:1])nc1 CCCOc1ccc(Cl)cc1C(=O)N(CC)[*:1]
CC(=O)Nc1ccc2c(C[NH+](CC(N)=O)C(C)C)cc(=O)oc2c1 CC(=O)N[*:1] CC(C)[NH+](CC(N)=O)Cc1cc(=O)oc2cc(ccc12)[*:1]
CC(=O)Nc1ccc2c(C[NH+](CC(N)=O)C(C)C)cc(=O)oc2c1 NC(=O)[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)C[NH+](C[*:1])C(C)C
CC(=O)Nc1ccc2c(C[NH+](CC(N)=O)C(C)C)cc(=O)oc2c1 NC(=O)C[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)C[NH+](C(C)C)[*:1]
CC(=O)Nc1ccc2c(C[NH+](CC(N)=O)C(C)C)cc(=O)oc2c1 CC(C)[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)C[NH+](CC(N)=O)[*:1]
N#CCCN(CC(F)(F)F)C(=O)/C=C/c1cccnc1 c1cncc(c1)[*:1] N#CCCN(CC(F)(F)F)C(=O)C=C[*:1]
N#CCCN(CC(F)(F)F)C(=O)/C=C/c1cccnc1 N#CCC[*:1] O=C(/C=C/c1cccnc1)N(CC(F)(F)F)[*:1]
N#CCCN(CC(F)(F)F)C(=O)/C=C/c1cccnc1 FC(F)(F)C[*:1] N#CCCN(C(=O)/C=C/c1cccnc1)[*:1]
N#CCCN(CC(F)(F)F)C(=O)/C=C/c1cccnc1 N#CC[*:1] O=C(/C=C/c1cccnc1)N(CC(F)(F)F)C[*:1]
N#CCCN(CC(F)(F)F)C(=O)/C=C/c1cccnc1 FC(F)(F)[*:1] N#CCCN(C[*:1])C(=O)/C=C/c1cccnc1
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2C(F)(F)F)c(F)c1 Cc1ccc(c(F)c1)[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1ccccc1C(F)(F)F
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2C(F)(F)F)c(F)c1 FC(F)(F)[*:1] Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2[*:1])c(F)c1
O=C(NCC1CC1)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] O=C(NCC1CC1)c1ccnc(c1)O[*:1]
O=C(NCC1CC1)c1ccnc(OC2CCC2)c1 C1CC1C[*:1] O=C(N[*:1])c1ccnc(c1)OC1CCC1
O=C(NCC1CC1)c1ccnc(OC2CCC2)c1 C1CC1[*:1] O=C(NC[*:1])c1ccnc(c1)OC1CCC1
O=C(NCC1CC1)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] O=C(NCC1CC1)c1ccnc(c1)[*:1]
COc1cc(C(=O)Nc2ccc(O)cc2)cc(OC)c1OC Oc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[*:1]
C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)c(Cl)c1 N#CC[*:1] C[C@@H](N[C@@H](C[*:1])c1ccccc1)c1ccc(F)c(Cl)c1
C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)c(Cl)c1 c1ccc(cc1)[*:1] C[C@@H](N[C@@H](CCC#N)[*:1])c1ccc(F)c(Cl)c1
C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)c(Cl)c1 N#CCC[*:1] C[C@@H](N[C@@H](c1ccccc1)[*:1])c1ccc(F)c(Cl)c1
N#C[C@H](C(=O)CCCc1cc(Cl)sc1Cl)c1ccc(F)cn1 Clc1cc(c(Cl)s1)[*:1] N#C[C@H](C(=O)CCC[*:1])c1ccc(F)cn1
N#C[C@H](C(=O)CCCc1cc(Cl)sc1Cl)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@H](C(=O)CCCc1cc(Cl)sc1Cl)[*:1]
CCc1noc([C@@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)n1 CCc1noc(n1)[*:1] C[C@@H]([NH+]1CCN(CC1)c1cccc(F)c1C#N)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)c1cnc(C)cn1 CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NC(=O)c1cnc(C)cn1
CNC(=O)[C@@H](CC(C)C)NC(=O)c1cnc(C)cn1 CNC(=O)[*:1] Cc1cnc(cn1)C(=O)N[C@H](CC(C)C)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)c1cnc(C)cn1 CC(C)C[*:1] CNC(=O)[C@@H](NC(=O)c1cnc(C)cn1)[*:1]
CCCCN(C)C(=O)C1CC[NH+](Cc2cc(F)c([O-])c(F)c2)CC1 CCC[*:1] CN(C[*:1])C(=O)C1CC[NH+](CC1)Cc1cc(F)c([O-])c(F)c1
CCCCN(C)C(=O)C1CC[NH+](Cc2cc(F)c([O-])c(F)c2)CC1 CCCCN(C)C(=O)[*:1] [O-]c1c(F)cc(cc1F)C[NH+]1CCC(CC1)[*:1]
CCCCN(C)C(=O)C1CC[NH+](Cc2cc(F)c([O-])c(F)c2)CC1 CCCC[*:1] CN(C(=O)C1CC[NH+](CC1)Cc1cc(F)c([O-])c(F)c1)[*:1]
Cc1ccc(C)c(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)c1 O=C([O-])C[*:1] Cc1ccc(C)c(c1)N1C(=O)C[C@@H](S[*:1])C1=O
Cc1ccc(C)c(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)N1C(=O)C[C@@H](SC[*:1])C1=O
Cc1ccc(C)c(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)c1 O=C([O-])CS[*:1] Cc1ccc(C)c(c1)N1C(=O)C[C@@H](C1=O)[*:1]
O=C([O-])c1ccc(CNc2ccccc2)nc1 O=C([O-])[*:1] c1ccc(cc1)NCc1ccc(cn1)[*:1]
C/C(=C\C(=O)NCc1cc(C#N)ccc1F)CCc1ccccc1 c1ccc(cc1)CC[*:1] CC(=CC(=O)NCc1cc(C#N)ccc1F)[*:1]
C/C(=C\C(=O)NCc1cc(C#N)ccc1F)CCc1ccccc1 c1ccc(cc1)[*:1] C/C(=C\C(=O)NCc1cc(C#N)ccc1F)CC[*:1]
C/C(=C\C(=O)NCc1cc(C#N)ccc1F)CCc1ccccc1 c1ccc(cc1)C[*:1] C/C(=C\C(=O)NCc1cc(C#N)ccc1F)C[*:1]
CCCn1c(=O)c2cc(Cl)ccc2n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc12 c1cc2OCCOc2cc1[*:1] CCCn1c(=O)c2cc(Cl)ccc2n2c(nnc12)SCC(=O)N[*:1]
CCCn1c(=O)c2cc(Cl)ccc2n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc12 CCC[*:1] O=C(CSc1nnc2n(c(=O)c3cc(Cl)ccc3n12)[*:1])Nc1ccc2OCCOc2c1
CC(C)CNC(=O)NC(=O)CS[C@H](C)CCO C[C@H](CCO)[*:1] CC(C)CNC(=O)NC(=O)CS[*:1]
CC(C)CNC(=O)NC(=O)CS[C@H](C)CCO OCC[*:1] CC(C)CNC(=O)NC(=O)CS[C@H](C)[*:1]
CC(C)CNC(=O)NC(=O)CS[C@H](C)CCO CC(C)C[*:1] C[C@H](CCO)SCC(=O)NC(=O)N[*:1]
CC(C)CNC(=O)NC(=O)CS[C@H](C)CCO CC(C)[*:1] C[C@H](CCO)SCC(=O)NC(=O)NC[*:1]
CC(C)n1c(CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)n[nH]c1=S CC(C)[*:1] O=C(NCc1n[nH]c(=S)n1[*:1])[C@@H]1Cc2cc(F)ccc2O1
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnnn1C[C@H]1CCCO1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)CSc1nnnn1C[C@H]1CCCO1)[*:1]
O=C(N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1)c1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(N[C@H]1C[C@H]2C(=O)N3CCC[C@@H]3C(=O)N2C1)c1ccc(F)c(c1)[*:1]
CC[C@@H](C)n1ncc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1C1CC1 Fc1ccc(cc1)C[*:1] CC[C@@H](C)n1ncc(C(=O)NNC(=O)[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1C1CC1 Fc1ccc(cc1)[*:1] CC[C@@H](C)n1ncc(C(=O)NNC(=O)C[*:1])c1C1CC1
CCc1nncn1CCNC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 CCc1nncn1[*:1] C[C@@H]1C[C@@H](c2cccc(F)c2)N(C1)C(=O)NCC[*:1]
CCc1nncn1CCNC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCc1nncn1CCNC(=O)N1C[C@H](C)C[C@@H]1[*:1]
CCc1nncn1CCNC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 CCc1nncn1C[*:1] C[C@@H]1C[C@@H](c2cccc(F)c2)N(C1)C(=O)NC[*:1]
CCOC(=O)CC[C@@H](C)NC(=O)c1cc2cc(C)c(C)cc2o1 CCOC(=O)[*:1] Cc1cc2cc(oc2cc1C)C(=O)N[C@H](C)CC[*:1]
CCOC(=O)CC[C@@H](C)NC(=O)c1cc2cc(C)c(C)cc2o1 CCOC(=O)C[*:1] Cc1cc2cc(oc2cc1C)C(=O)N[C@H](C)C[*:1]
CCOC(=O)CC[C@@H](C)NC(=O)c1cc2cc(C)c(C)cc2o1 CCOC(=O)CC[*:1] Cc1cc2cc(oc2cc1C)C(=O)N[C@H](C)[*:1]
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 CN(C(=O)OC(C)(C)C)[*:1] O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H](C1)[*:1]
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@@H]2COc3ccccc3O2)C1 CC(C)(C)[*:1] CN(C(=O)O[*:1])[C@@H]1CCCN(C1)C(=O)[C@@H]1COc2ccccc2O1
CC[C@@H](C(=O)Nc1cc(C)on1)[S@](=O)Cc1ccccc1F Fc1ccccc1[*:1] CC[C@@H](C(=O)Nc1cc(C)on1)[S@](=O)C[*:1]
CC[C@@H](C(=O)Nc1cc(C)on1)[S@](=O)Cc1ccccc1F Cc1cc(no1)[*:1] CC[C@@H](C(=O)N[*:1])[S@](=O)Cc1ccccc1F
C[C@@H](C(=O)Nc1cccc(Oc2ccncc2)c1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](C(=O)Nc1cccc(c1)Oc1ccncc1)[*:1]
C[C@@H](C(=O)Nc1cccc(Oc2ccncc2)c1)S(C)(=O)=O c1cc(ccn1)[*:1] C[C@@H](C(=O)Nc1cccc(c1)O[*:1])S(C)(=O)=O
C[C@@H](C(=O)Nc1cccc(Oc2ccncc2)c1)S(C)(=O)=O c1cc(ccn1)O[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])S(C)(=O)=O
CS(=O)(=O)CC(=O)N(Cc1ccsc1)Cc1ccco1 c1cc(cs1)[*:1] CS(=O)(=O)CC(=O)N(Cc1ccco1)C[*:1]
CS(=O)(=O)CC(=O)N(Cc1ccsc1)Cc1ccco1 CS(=O)(=O)[*:1] O=C(C[*:1])N(Cc1ccsc1)Cc1ccco1
CS(=O)(=O)CC(=O)N(Cc1ccsc1)Cc1ccco1 c1cc(cs1)C[*:1] CS(=O)(=O)CC(=O)N(Cc1ccco1)[*:1]
CS(=O)(=O)CC(=O)N(Cc1ccsc1)Cc1ccco1 CS(=O)(=O)C[*:1] O=C(N(Cc1ccsc1)Cc1ccco1)[*:1]
CS(=O)(=O)CC(=O)N(Cc1ccsc1)Cc1ccco1 c1coc(c1)C[*:1] CS(=O)(=O)CC(=O)N(Cc1ccsc1)[*:1]
CS(=O)(=O)CC(=O)N(Cc1ccsc1)Cc1ccco1 c1coc(c1)[*:1] CS(=O)(=O)CC(=O)N(Cc1ccsc1)C[*:1]
C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] C[C@H](CC(=O)Nc1ccc(cc1)C(=O)[O-])C[*:1]
C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])C[*:1] C[C@@H](CC(=O)Nc1ccc(cc1)C(=O)[O-])[*:1]
C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(NC(=O)[C@H](C)[S@](=O)[C@H](C)C(C)C)c(OC)c1 CC(C)[*:1] COc1ccc(NC(=O)[C@H](C)[S@](=O)[C@H](C)[*:1])c(c1)OC
Cn1c(=O)c(C(=O)N[C@H](CC[NH+]2CCCCC2)c2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] Cn1c(=O)c(nc2ccccc21)C(=O)N[C@H](CC[NH+]1CCCCC1)[*:1]
CCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 CCC[*:1] O=C(Nc1cc(Cl)ccc1O)C1CCN(CC1)C(=O)N[*:1]
Cc1ccc2sc(NCC(=O)c3ccccc3Cl)nc2c1C Clc1ccccc1[*:1] Cc1ccc2sc(nc2c1C)NCC(=O)[*:1]
O=C(CS(=O)(=O)Cc1ccccc1)Nc1c(Cl)cccc1Cl c1ccc(cc1)C[*:1] O=C(CS(=O)(=O)[*:1])Nc1c(Cl)cccc1Cl
O=C(CS(=O)(=O)Cc1ccccc1)Nc1c(Cl)cccc1Cl c1ccc(cc1)[*:1] O=C(CS(=O)(=O)C[*:1])Nc1c(Cl)cccc1Cl
C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cccc(SCC#N)c2)no1 N#CC[*:1] C[NH+](C)Cc1nc(no1)C(C)(C)NC(=O)c1cccc(c1)S[*:1]
C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cccc(SCC#N)c2)no1 N#CCS[*:1] C[NH+](C)Cc1nc(no1)C(C)(C)NC(=O)c1cccc(c1)[*:1]
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Oc1ccc(cc1)[N+](=O)[O-])c1cccc(c1)[*:1]
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Oc1ccc(cc1)[*:1])c1cccc(c1)[N+](=O)[O-]
Cn1cc(C(N)=O)c(CC2CC[NH+](Cc3ccc(-c4cccc(F)c4)cc3)CC2)n1 Cn1cc(C(N)=O)c(n1)[*:1] Fc1cccc(c1)-c1ccc(cc1)C[NH+]1CCC(CC1)C[*:1]
Cn1cc(C(N)=O)c(CC2CC[NH+](Cc3ccc(-c4cccc(F)c4)cc3)CC2)n1 Fc1cccc(c1)[*:1] Cn1cc(C(N)=O)c(CC2CC[NH+](CC2)Cc2ccc(cc2)[*:1])n1
Cn1cc(C(N)=O)c(CC2CC[NH+](Cc3ccc(-c4cccc(F)c4)cc3)CC2)n1 NC(=O)[*:1] Cn1cc(c(CC2CC[NH+](CC2)Cc2ccc(cc2)-c2cccc(F)c2)n1)[*:1]
Cn1cc(C(N)=O)c(CC2CC[NH+](Cc3ccc(-c4cccc(F)c4)cc3)CC2)n1 Cn1cc(C(N)=O)c(C[*:1])n1 Fc1cccc(c1)-c1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
COC(=O)c1cccc(N2CCN(Cc3c(C)noc3C)CC2)n1 COC(=O)[*:1] Cc1noc(C)c1CN1CCN(CC1)c1cccc(n1)[*:1]
COC(=O)c1cccc(N2CCN(Cc3c(C)noc3C)CC2)n1 Cc1noc(C)c1C[*:1] COC(=O)c1cccc(n1)N1CCN(CC1)[*:1]
COC(=O)c1cccc(N2CCN(Cc3c(C)noc3C)CC2)n1 Cc1noc(C)c1[*:1] COC(=O)c1cccc(n1)N1CCN(CC1)C[*:1]
CCn1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CC[C@@H](C)C3)c(C)n1 CCn1cc(c(C)n1)[*:1] C[C@@H]1CCc2c(C1)sc(N=C[*:1])c2C(=O)NC1CCCCC1
CCn1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CC[C@@H](C)C3)c(C)n1 O=C(NC1CCCCC1)[*:1] CCn1cc(/C=N/c2sc3C[C@H](C)CCc3c2[*:1])c(C)n1
CCn1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CC[C@@H](C)C3)c(C)n1 C1CCC(CC1)[*:1] CCn1cc(/C=N/c2sc3C[C@H](C)CCc3c2C(=O)N[*:1])c(C)n1
Cn1ncc(C(=O)N2CC=C(c3ccccc3Cl)CC2)c1-n1cccc1 Clc1ccccc1[*:1] Cn1ncc(C(=O)N2CC=C(CC2)[*:1])c1-n1cccc1
Cn1ncc(C(=O)N2CC=C(c3ccccc3Cl)CC2)c1-n1cccc1 c1ccn(c1)[*:1] Cn1ncc(C(=O)N2CC=C(CC2)c2ccccc2Cl)c1[*:1]
Cc1cc(F)cc(N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 O=C([O-])[*:1] Cc1cc(F)cc(c1)N[C@H](c1cc(C)cc(C)c1)[*:1]
Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O)CCC2 CS(=O)(=O)N[*:1] Cc1nc2CCC[C@H]([NH2+]C[C@H]3CCC[C@H]3[*:1])c2s1
CNC(=O)Nc1cccc(NC(=O)C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] CNC(=O)Nc1cccc(c1)NC(=O)[*:1]
CNC(=O)Nc1cccc(NC(=O)C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CNC(=O)Nc1cccc(c1)NC(=O)C[*:1]
CNC(=O)Nc1cccc(NC(=O)C[C@H]2CCCO2)c1 CNC(=O)N[*:1] O=C(C[C@H]1CCCO1)Nc1cccc(c1)[*:1]
COc1cc([C@@H]2CCN(Cc3cc4ccccc4[nH]c3=O)c3ccccc3S2)cc(OC)c1OC O=c1[nH]c2ccccc2cc1[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CCN(C[*:1])c2ccccc2S1
CC(=O)Nc1cc(NC(=O)NCCCc2ccccc2)ccc1Cl c1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1Cl)NC(=O)NCCC[*:1]
CC(=O)Nc1cc(NC(=O)NCCCc2ccccc2)ccc1Cl c1ccc(cc1)C[*:1] CC(=O)Nc1cc(ccc1Cl)NC(=O)NCC[*:1]
CC(=O)Nc1cc(NC(=O)NCCCc2ccccc2)ccc1Cl CC(=O)N[*:1] O=C(NCCCc1ccccc1)Nc1ccc(Cl)c(c1)[*:1]
CC(=O)Nc1cc(NC(=O)NCCCc2ccccc2)ccc1Cl c1ccc(cc1)CC[*:1] CC(=O)Nc1cc(ccc1Cl)NC(=O)NC[*:1]
CCCN(CC(=O)N(C)C)C(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] CCCN(CC(=O)N(C)C)C(=O)c1ccnc(c1)O[*:1]
CCCN(CC(=O)N(C)C)C(=O)c1ccnc(OC2CCCCC2)c1 CN(C)C(=O)C[*:1] CCCN(C(=O)c1ccnc(c1)OC1CCCCC1)[*:1]
CCCN(CC(=O)N(C)C)C(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] CCCN(CC(=O)N(C)C)C(=O)c1ccnc(c1)[*:1]
CCCN(CC(=O)N(C)C)C(=O)c1ccnc(OC2CCCCC2)c1 CCC[*:1] CN(C)C(=O)CN(C(=O)c1ccnc(c1)OC1CCCCC1)[*:1]
CCCN(CC(=O)N(C)C)C(=O)c1ccnc(OC2CCCCC2)c1 CN(C)C(=O)[*:1] CCCN(C[*:1])C(=O)c1ccnc(c1)OC1CCCCC1
CC(C)CCC[C@H]1CN(C2CCSCC2)CCO1 CC(C)C[*:1] C1CN(C[C@H](CC[*:1])O1)C1CCSCC1
CC(C)CCC[C@H]1CN(C2CCSCC2)CCO1 CC(C)[*:1] C(C[C@H]1CN(CCO1)C1CCSCC1)C[*:1]
CC(C)CCC[C@H]1CN(C2CCSCC2)CCO1 CC(C)CC[*:1] C1CN(C[C@H](C[*:1])O1)C1CCSCC1
CC(C)CCC[C@H]1CN(C2CCSCC2)CCO1 CC(C)CCC[*:1] C1CN(C[C@@H](O1)[*:1])C1CCSCC1
CC(C)CCC[C@H]1CN(C2CCSCC2)CCO1 C1CC(CCS1)[*:1] CC(C)CCC[C@H]1CN(CCO1)[*:1]
CNS(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)c1 CNS(=O)(=O)[*:1] Cn1c(cc(=O)n(C)c1=O)COC(=O)c1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1[*:1])Oc1cccnc1
CC(C)(C)OC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@@H]1C[C@@H](CN1C(=O)O[*:1])Oc1cccnc1
CC(C)(C)OC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)[O-] c1cncc(c1)[*:1] CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)[O-])O[*:1]
CC(C)(C)OC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)[O-] c1cncc(c1)O[*:1] CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)[O-])[*:1]
C=CCn1c([C@@H](C)NC(=O)c2ccccn2)nc2ccccc21 C=CC[*:1] C[C@@H](NC(=O)c1ccccn1)c1nc2ccccc2n1[*:1]
C=CCn1c([C@@H](C)NC(=O)c2ccccn2)nc2ccccc21 c1ccc(nc1)[*:1] C=CCn1c(nc2ccccc21)[C@@H](C)NC(=O)[*:1]
COc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccccn2)cc1C c1ccc(C[*:1])nc1 COc1ccc(cc1C)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1[*:1]
COc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccccn2)cc1C c1ccc(nc1)[*:1] COc1ccc(cc1C)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C[*:1]
COc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccccn2)cc1C COc1ccc(cc1C)[*:1] c1ccc(CN2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2[*:1])nc1
Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)o1 Cc1ccc(o1)[*:1] NC(=O)c1c(NC(=O)COC(=O)[*:1])sc2CCCc21
Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)o1 NC(=O)[*:1] Cc1ccc(o1)C(=O)OCC(=O)Nc1sc2CCCc2c1[*:1]
Cc1cc(N[C@H](CC(C)C)c2ncnn2C)n2nccc2n1 Cn1ncnc1[*:1] Cc1cc(N[C@H](CC(C)C)[*:1])n2nccc2n1
Cc1cc(N[C@H](CC(C)C)c2ncnn2C)n2nccc2n1 CC(C)C[*:1] Cc1cc(N[C@H](c2ncnn2C)[*:1])n2nccc2n1
Cc1cc(N[C@H](CC(C)C)c2ncnn2C)n2nccc2n1 CC(C)[*:1] Cc1cc(N[C@H](C[*:1])c2ncnn2C)n2nccc2n1
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3F)c2)c1 Cc1cccc(c1)[*:1] CN(Cc1ccccc1F)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3F)c2)c1 Fc1ccccc1C[*:1] Cc1cccc(c1)NS(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3F)c2)c1 Fc1ccccc1[*:1] Cc1cccc(c1)NS(=O)(=O)c1cccc(c1)C(=O)N(C)C[*:1]
CO[C@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] CO[C@H](CNc1ccc(cc1[*:1])C(C)=O)c1ccccc1
CO[C@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](CNc1ccc(cc1[N+](=O)[O-])C(C)=O)[*:1]
CO[C@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccccc1 CC(=O)[*:1] CO[C@H](CNc1ccc(cc1[N+](=O)[O-])[*:1])c1ccccc1
CCN(CC)C(=O)[C@@H](C)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 CCN(CC)C(=O)[*:1] C[C@@H](N1CCN(CC1)Cc1cn2ccccc2[nH+]1)[*:1]
Cc1ccc2cc(C)c(N3CCN(C4CCSCC4)CC3)[nH+]c2c1 C1CC(CCS1)[*:1] Cc1ccc2cc(C)c([nH+]c2c1)N1CCN(CC1)[*:1]
Cc1cc(C(=O)N/N=C/c2c(C)nc3sccn23)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1nc2sccn2c1/C=N/NC(=O)[*:1]
COCCOc1ccc(NC(=O)NCC2CC2)cc1Cl C1CC1[*:1] COCCOc1ccc(cc1Cl)NC(=O)NC[*:1]
COCCOc1ccc(NC(=O)NCC2CC2)cc1Cl COC[*:1] O=C(NCC1CC1)Nc1ccc(OC[*:1])c(Cl)c1
COCCOc1ccc(NC(=O)NCC2CC2)cc1Cl COCCO[*:1] O=C(NCC1CC1)Nc1ccc(c(Cl)c1)[*:1]
COCCOc1ccc(NC(=O)NCC2CC2)cc1Cl COCC[*:1] O=C(NCC1CC1)Nc1ccc(O[*:1])c(Cl)c1
COCCOc1ccc(NC(=O)NCC2CC2)cc1Cl C1CC1C[*:1] COCCOc1ccc(cc1Cl)NC(=O)N[*:1]
C[C@H](Cl)c1nc2cc(Br)cnc2n1CCC(N)=O NC(=O)[*:1] C[C@H](Cl)c1nc2cc(Br)cnc2n1CC[*:1]
C[C@H](Cl)c1nc2cc(Br)cnc2n1CCC(N)=O NC(=O)C[*:1] C[C@H](Cl)c1nc2cc(Br)cnc2n1C[*:1]
C[C@H](Cl)c1nc2cc(Br)cnc2n1CCC(N)=O NC(=O)CC[*:1] C[C@H](Cl)c1nc2cc(Br)cnc2n1[*:1]
C[C@H](Cl)c1nc2cc(Br)cnc2n1CCC(N)=O C[C@H](Cl)[*:1] NC(=O)CCn1c(nc2cc(Br)cnc21)[*:1]
CCC(CC)N(C)C(=O)CCn1nc([O-])c2ccccc2c1=O CCC(CC)[*:1] CN(C(=O)CCn1nc([O-])c2ccccc2c1=O)[*:1]
C[C@@H]1CCCC[C@H]1N(C)C(=O)CNC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] C[C@@H]1CCCC[C@H]1N(C)C(=O)CNC(=O)[*:1]
C=CCNC(=O)NCC(=O)Nc1cccc2cccnc12 C=CCNC(=O)N[*:1] O=C(C[*:1])Nc1cccc2cccnc12
C=CCNC(=O)NCC(=O)Nc1cccc2cccnc12 C=CC[*:1] O=C(CNC(=O)N[*:1])Nc1cccc2cccnc12
C[NH+]1CCN(C[C@@H]2CO2)CC1 C1O[C@@H]1[*:1] C[NH+]1CCN(CC1)C[*:1]
CC[C@H]1CN(C(=O)COC)CC[C@@H]1c1ccccc1 COC[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)[*:1]
CC[C@H]1CN(C(=O)COC)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@H]1[*:1])C(=O)COC
Cc1ccc(Cl)cc1N1CCN(CC(=O)c2ccc3c(c2)OCO3)CC1 Cc1ccc(Cl)cc1[*:1] O=C(CN1CCN(CC1)[*:1])c1ccc2OCOc2c1
CCOc1ccc(C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 CCO[*:1] CC(C)CN(C(=O)c1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
CCOc1ccc(C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)C[*:1] CCOc1ccc(cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCOc1ccc(C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)[*:1] CCOc1ccc(cc1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(Nc1cccc(OC2CCCC2)c1)C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)OC1CCCC1)[*:1]
O=C(Nc1cccc(OC2CCCC2)c1)C1CC1 O=C(N[*:1])C1CC1 c1cc(cc(c1)[*:1])OC1CCCC1
O=C(Nc1cccc(OC2CCCC2)c1)C1CC1 C1CCC(C1)O[*:1] O=C(Nc1cccc(c1)[*:1])C1CC1
O=C(Nc1cccc(OC2CCCC2)c1)C1CC1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)O[*:1])C1CC1
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Nc1nccs1 c1ccc(cc1)[*:1] C[C@@H](CN1CCN(CC1)[*:1])NC(=O)Nc1nccs1
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Nc1nccs1 c1csc(n1)[*:1] C[C@@H](CN1CCN(CC1)c1ccccc1)NC(=O)N[*:1]
CN(CC(C)(C)C)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 CC(C)(C)C[*:1] CN(C(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
CN(CC(C)(C)C)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 CC(C)(C)[*:1] CN(C[*:1])C(=O)[C@H]1C=C[C@@H]([NH3+])C1
CC(=O)N[C@@H](C(=O)Nc1cc(C)ccc1F)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)Nc1cc(C)ccc1F)[*:1]
CC(=O)N[C@@H](C(=O)Nc1cc(C)ccc1F)C(C)C CC(=O)N[*:1] Cc1ccc(F)c(c1)NC(=O)[C@@H](C(C)C)[*:1]
Cc1cccc(NC(=O)[C@@H](Sc2nc3sccc3c(=O)n2C)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)[C@@H](Sc1nc2sccc2c(=O)n1C)[*:1]
Cc1cccc(NC(=O)[C@@H](Sc2nc3sccc3c(=O)n2C)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@H](Sc1nc2sccc2c(=O)n1C)C(=O)N[*:1]
C[C@H](OC(=O)CCSc1nc2ccccc2s1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)CCSc1nc2ccccc2s1)[*:1]
O=C(c1ccc(F)cc1)c1ccc(OCn2nnc3ccccc3c2=O)cc1 O=C(c1ccc(F)cc1)[*:1] O=c1c2ccccc2nnn1COc1ccc(cc1)[*:1]
O=C(c1ccc(F)cc1)c1ccc(OCn2nnc3ccccc3c2=O)cc1 Fc1ccc(cc1)[*:1] O=C(c1ccc(cc1)OCn1nnc2ccccc2c1=O)[*:1]
CC(C)[C@@H]1O[C@](C)(Cc2ccccc2)OCC1(C)C CC(C)[*:1] CC1(C)CO[C@@](C)(Cc2ccccc2)O[C@H]1[*:1]
CC(C)[C@@H]1O[C@](C)(Cc2ccccc2)OCC1(C)C c1ccc(cc1)[*:1] CC(C)[C@@H]1O[C@](C)(C[*:1])OCC1(C)C
C[C@H]([NH2+]CCC1CC1)c1nc2ccc(Cl)cc2n1C C1CC1[*:1] C[C@H]([NH2+]CC[*:1])c1nc2ccc(Cl)cc2n1C
C[C@H]([NH2+]CCC1CC1)c1nc2ccc(Cl)cc2n1C C1CC1C[*:1] C[C@H]([NH2+]C[*:1])c1nc2ccc(Cl)cc2n1C
C[C@H]([NH2+]CCC1CC1)c1nc2ccc(Cl)cc2n1C C1CC1CC[*:1] C[C@H]([NH2+][*:1])c1nc2ccc(Cl)cc2n1C
C[C@@H](CNC(=O)NCc1ccc(Cl)nc1)N(C)c1ccccc1 Clc1ccc(cn1)[*:1] C[C@@H](CNC(=O)NC[*:1])N(C)c1ccccc1
C[C@@H](CNC(=O)NCc1ccc(Cl)nc1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NCc1ccc(Cl)nc1)N(C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCCC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(CC1)[*:1]
COC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1cnc(Cl)c(C)c1 COC(=O)[*:1] Cc1cc(cnc1Cl)S(=O)(=O)N[C@@H]1CCCC[C@@H]1[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CC=C(CC1)[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CC=C(c2ccccc2Cl)CC1 Cc1n[nH]c(C)c1[*:1] C[C@@H](C[*:1])C(=O)N1CC=C(CC1)c1ccccc1Cl
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1CC=C(c2ccccc2Cl)CC1 Cc1n[nH]c(C)c1C[*:1] C[C@H](C(=O)N1CC=C(CC1)c1ccccc1Cl)[*:1]
COCCNC(=O)N(C[C@H]1C[C@H]1C)C(C)C C[C@@H]1C[C@@H]1[*:1] COCCNC(=O)N(C[*:1])C(C)C
COCCNC(=O)N(C[C@H]1C[C@H]1C)C(C)C CC(C)[*:1] COCCNC(=O)N(C[C@H]1C[C@H]1C)[*:1]
COCCNC(=O)N(C[C@H]1C[C@H]1C)C(C)C C[C@@H]1C[C@@H]1C[*:1] COCCNC(=O)N(C(C)C)[*:1]
COCCNC(=O)N(C[C@H]1C[C@H]1C)C(C)C COCC[*:1] CC(C)N(C[C@H]1C[C@H]1C)C(=O)N[*:1]
COCCNC(=O)N(C[C@H]1C[C@H]1C)C(C)C COC[*:1] CC(C)N(C[C@H]1C[C@H]1C)C(=O)NC[*:1]
CC(C)(C)[C@H]([NH3+])C(=O)NC1C(C)(C)C1(C)C CC(C)(C)[*:1] CC1(C)C(NC(=O)[C@@H]([NH3+])[*:1])C1(C)C
CO[C@H](C)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CO[C@H](C)C(=O)Nc1ccc(cc1)O[*:1]
CO[C@H](C)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 CO[C@H](C)C(=O)N[*:1] Fc1cccc(c1)Oc1ccc(cc1)[*:1]
CO[C@H](C)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 CO[C@H](C)[*:1] O=C(Nc1ccc(cc1)Oc1cccc(F)c1)[*:1]
O=C1N=C([O-])/C(=N/Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 O=[N+]([O-])[*:1] O=C1N=C([O-])/C(=N/Nc2ccc(cc2)[*:1])C(=O)N1c1ccccc1
O=C1N=C([O-])/C(=N/Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1N=C([O-])/C(=N/Nc2ccc(cc2)[N+](=O)[O-])C(=O)N1[*:1]
Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccn2)c2ccccc2)cc1Cl c1ccc(nc1)[*:1] Cc1ccc(cc1Cl)NC(=O)[C@@H](OC(=O)[*:1])c1ccccc1
Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccn2)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)[C@@H](OC(=O)c1ccccn1)[*:1]
Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccn2)c2ccccc2)cc1Cl O=C(O[*:1])c1ccccn1 Cc1ccc(cc1Cl)NC(=O)[C@@H](c1ccccc1)[*:1]
Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccn2)c2ccccc2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(O[C@H](C(=O)N[*:1])c1ccccc1)c1ccccn1
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1C[C@H](CO)OC[C@@H]1C CC(C)(C)[*:1] Cc1cc(NC(=O)[*:1])sc1C(=O)N1C[C@H](CO)OC[C@@H]1C
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1C[C@H](CO)OC[C@@H]1C CC(C)(C)C(=O)N[*:1] Cc1cc(sc1C(=O)N1C[C@H](CO)OC[C@@H]1C)[*:1]
Cc1ccc(CN(C)[C@@H](C[NH3+])CC(=O)NC(C)(C)C)cc1 Cc1ccc(cc1)[*:1] CN(C[*:1])[C@@H](C[NH3+])CC(=O)NC(C)(C)C
Cc1ccc(CN(C)[C@@H](C[NH3+])CC(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)[*:1] Cc1ccc(cc1)CN(C)[C@@H](C[NH3+])C[*:1]
Cc1ccc(CN(C)[C@@H](C[NH3+])CC(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)CN(C)[C@@H](C[NH3+])CC(=O)N[*:1]
COc1ccccc1-c1nn(C)cc1C(=O)O[C@@H](C)[C@@H]1CCCO1 COc1ccccc1[*:1] C[C@H](OC(=O)c1cn(C)nc1[*:1])[C@@H]1CCCO1
c1coc(-c2cnc(NCCN3CCOCC3)nc2-c2ccco2)c1 C1CN(CCO1)[*:1] c1coc(c1)-c1cnc(nc1-c1ccco1)NCC[*:1]
c1coc(-c2cnc(NCCN3CCOCC3)nc2-c2ccco2)c1 C1CN(CCO1)CC[*:1] c1coc(c1)-c1cnc(nc1-c1ccco1)N[*:1]
c1coc(-c2cnc(NCCN3CCOCC3)nc2-c2ccco2)c1 c1coc(c1)[*:1] c1coc(c1)-c1cnc(nc1[*:1])NCCN1CCOCC1
c1coc(-c2cnc(NCCN3CCOCC3)nc2-c2ccco2)c1 C1CN(CCO1)C[*:1] c1coc(c1)-c1cnc(nc1-c1ccco1)NC[*:1]
c1coc(-c2cnc(NCCN3CCOCC3)nc2-c2ccco2)c1 c1coc(c1)[*:1] c1coc(c1)-c1nc(ncc1[*:1])NCCN1CCOCC1
Nc1cc(F)ccc1C(=O)OCC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Nc1cc(F)ccc1C(=O)OCC(=O)NC[*:1]
CCCNC(=O)c1cccc(NC(=O)c2c[nH]c3cccc(F)c23)c1 CCC[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1c[nH]c2cccc(F)c12
CCCNC(=O)c1cccc(NC(=O)c2c[nH]c3cccc(F)c23)c1 CCCNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1c[nH]c2cccc(F)c12
CCOC(=O)[C@H](NC)c1ccc(OC)c2ccccc12 CCOC(=O)[*:1] CN[C@H](c1ccc(OC)c2ccccc12)[*:1]
COc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccc3nccnc3c2)C1 COc1ccccc1[*:1] CS(=O)(=O)N1N=C(C[C@H]1c1ccc2nccnc2c1)[*:1]
C[C@@H](C(=O)NCCN1CCN(C(=O)C2CCCC2)CC1)[NH+](C)C C1CCC(C1)[*:1] C[C@@H](C(=O)NCCN1CCN(CC1)C(=O)[*:1])[NH+](C)C
COc1ccccc1NC(=O)NCN1C(=O)c2ccccc2C1=O COc1ccccc1[*:1] O=C(NCN1C(=O)c2ccccc2C1=O)N[*:1]
COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)[C@@H]1CC(O)=Nc2c1cnn2[*:1]
O=c1c2c3c(sc2n2cnnc2n1-c1ccccc1)CCC3 c1ccc(cc1)[*:1] O=c1c2c3CCCc3sc2n2cnnc2n1[*:1]
Cc1nc(CN(C)C(=O)c2ccccc2NCc2cccnc2)cs1 Cc1nc(cs1)[*:1] CN(C[*:1])C(=O)c1ccccc1NCc1cccnc1
Cc1nc(CN(C)C(=O)c2ccccc2NCc2cccnc2)cs1 c1cncc(c1)CN[*:1] Cc1nc(cs1)CN(C)C(=O)c1ccccc1[*:1]
Cc1nc(CN(C)C(=O)c2ccccc2NCc2cccnc2)cs1 Cc1nc(cs1)C[*:1] CN(C(=O)c1ccccc1NCc1cccnc1)[*:1]
Cc1nc(CN(C)C(=O)c2ccccc2NCc2cccnc2)cs1 c1cncc(c1)C[*:1] Cc1nc(cs1)CN(C)C(=O)c1ccccc1N[*:1]
Cc1nc(CN(C)C(=O)c2ccccc2NCc2cccnc2)cs1 c1cncc(c1)[*:1] Cc1nc(cs1)CN(C)C(=O)c1ccccc1NC[*:1]
CCOc1ccccc1NC(=O)N1CCn2c(C)ccc2[C@@H]1C(C)C CC(C)[*:1] CCOc1ccccc1NC(=O)N1CCn2c(C)ccc2[C@H]1[*:1]
CCOc1ccccc1NC(=O)N1CCn2c(C)ccc2[C@@H]1C(C)C CCO[*:1] Cc1ccc2[C@H](C(C)C)N(CCn12)C(=O)Nc1ccccc1[*:1]
c1ccc([C@H]([NH2+]Cc2ccon2)C2CCC2)cc1 c1cc(no1)[*:1] c1ccc(cc1)[C@H]([NH2+]C[*:1])C1CCC1
c1ccc([C@H]([NH2+]Cc2ccon2)C2CCC2)cc1 c1ccc(cc1)[*:1] c1cc(C[NH2+][C@H](C2CCC2)[*:1])no1
c1ccc([C@H]([NH2+]Cc2ccon2)C2CCC2)cc1 C1CC(C1)[*:1] c1ccc(cc1)[C@H]([NH2+]Cc1ccon1)[*:1]
O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(c1)C(=O)N[*:1]
O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(c1)[*:1]
C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccccc1F)Oc1ccccc1F Fc1ccccc1[*:1] C[C@H](CNC(=O)[C@@H]1C[C@H]1[*:1])Oc1ccccc1F
C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccccc1F)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccccc1F)[*:1]
C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccccc1F)Oc1ccccc1F Fc1ccccc1[*:1] C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccccc1F)O[*:1]
COC(=O)C[C@@H](NC(=O)Nc1cccn(C)c1=O)C1CC1 COC(=O)C[*:1] Cn1cccc(NC(=O)N[C@@H](C2CC2)[*:1])c1=O
COC(=O)C[C@@H](NC(=O)Nc1cccn(C)c1=O)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)Nc1cccn(C)c1=O)[*:1]
COC(=O)C[C@@H](NC(=O)Nc1cccn(C)c1=O)C1CC1 COC(=O)[*:1] Cn1cccc(NC(=O)N[C@H](C[*:1])C2CC2)c1=O
CC(C)(C)[C@H](O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 CC(C)(C)[C@H](O)[*:1] O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)NC[*:1]
CC(C)(C)[C@H](O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 CC(C)(C)[*:1] O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)NC[C@@H](O)[*:1]
CC(C)(C)[C@H](O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 CC(C)(C)[C@H](O)C[*:1] O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)N[*:1]
CC(C)(C)[C@H](O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 c1cnn(c1)[*:1] CC(C)(C)[C@H](O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)[*:1]
CC(C)(C)[C@H](O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 Clc1ccc(cc1)[*:1] CC(C)(C)[C@H](O)CNC(=O)NC[C@H](n1cccn1)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C Cc1ccccc1[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N[*:1]
COc1ccc2c(c1)OC(=O)[C@H](CC(=O)Nc1nnc(CC(C)C)s1)[C@@H]2C CC(C)Cc1nnc(s1)[*:1] COc1ccc2c(c1)OC(=O)[C@H](CC(=O)N[*:1])[C@@H]2C
COc1ccc2c(c1)OC(=O)[C@H](CC(=O)Nc1nnc(CC(C)C)s1)[C@@H]2C CC(C)[*:1] COc1ccc2c(c1)OC(=O)[C@H](CC(=O)Nc1nnc(C[*:1])s1)[C@@H]2C
COc1ccc2c(c1)OC(=O)[C@H](CC(=O)Nc1nnc(CC(C)C)s1)[C@@H]2C CC(C)C[*:1] COc1ccc2c(c1)OC(=O)[C@H](CC(=O)Nc1nnc(s1)[*:1])[C@@H]2C
CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[NH2+][C@H](COC(C)C)c1ccc(Br)cc1 CC(C)O[*:1] C[NH2+][C@H](C[*:1])c1ccc(Br)cc1
C[NH2+][C@H](COC(C)C)c1ccc(Br)cc1 CC(C)[*:1] C[NH2+][C@H](CO[*:1])c1ccc(Br)cc1
C[NH2+][C@H](COC(C)C)c1ccc(Br)cc1 CC(C)OC[*:1] C[NH2+][C@H](c1ccc(Br)cc1)[*:1]
Cc1csc2nc(CSCc3cccc(Br)c3)cc(=O)n12 Brc1cccc(c1)[*:1] Cc1csc2nc(cc(=O)n12)CSC[*:1]
CC[C@H](CCO)CNC(=O)Cc1cccc(F)c1 CC[C@H](CCO)[*:1] O=C(Cc1cccc(F)c1)NC[*:1]
CC[C@H](CCO)CNC(=O)Cc1cccc(F)c1 OCC[*:1] CC[C@H](CNC(=O)Cc1cccc(F)c1)[*:1]
COC(=O)[C@@H]1O[C@]23C[C@H](OC(C)=O)[C@H]4C(C)(C)CCC[C@]4(C)[C@H]2CC[C@H]1O3 COC(=O)[*:1] CC(=O)O[C@H]1C[C@]23O[C@H](CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12)[C@@H](O3)[*:1]
COC(=O)[C@@H]1O[C@]23C[C@H](OC(C)=O)[C@H]4C(C)(C)CCC[C@]4(C)[C@H]2CC[C@H]1O3 CC(=O)O[*:1] COC(=O)[C@@H]1O[C@]23C[C@H]([C@H]4C(C)(C)CCC[C@]4(C)[C@H]2CC[C@H]1O3)[*:1]
CC[C@H](O)c1c[nH]nc1-c1ccc(F)cc1 CC[C@H](O)[*:1] Fc1ccc(cc1)-c1n[nH]cc1[*:1]
COCCOc1ccccc1NC1CCCCC1 COC[*:1] c1ccc(OC[*:1])c(c1)NC1CCCCC1
COCCOc1ccccc1NC1CCCCC1 COCCO[*:1] c1ccc(c(c1)NC1CCCCC1)[*:1]
COCCOc1ccccc1NC1CCCCC1 COCC[*:1] c1ccc(O[*:1])c(c1)NC1CCCCC1
COCCOc1ccccc1NC1CCCCC1 C1CCC(CC1)[*:1] COCCOc1ccccc1N[*:1]
Cn1ccnc1S[C@H]1CC[C@@](C#N)(NC2CC2)C1 C1CC1[*:1] Cn1ccnc1S[C@H]1CC[C@](C#N)(C1)N[*:1]
Cn1ccnc1S[C@H]1CC[C@@](C#N)(NC2CC2)C1 C1CC1N[*:1] Cn1ccnc1S[C@H]1CC[C@@](C#N)(C1)[*:1]
Cn1ccnc1S[C@H]1CC[C@@](C#N)(NC2CC2)C1 Cn1ccnc1[*:1] N#C[C@]1(CC[C@@H](C1)S[*:1])NC1CC1
Cc1ccc(-c2cc(C(=O)NCc3ncoc3C)c3c(C)noc3n2)cc1 Cc1ocnc1C[*:1] Cc1ccc(cc1)-c1cc(C(=O)N[*:1])c2c(C)noc2n1
Cc1ccc(-c2cc(C(=O)NCc3ncoc3C)c3c(C)noc3n2)cc1 Cc1ocnc1[*:1] Cc1ccc(cc1)-c1cc(C(=O)NC[*:1])c2c(C)noc2n1
Cc1ccc(-c2cc(C(=O)NCc3ncoc3C)c3c(C)noc3n2)cc1 Cc1ccc(cc1)[*:1] Cc1ocnc1CNC(=O)c1cc(nc2onc(C)c12)[*:1]
COc1ccc(CNC(=O)CCCc2ccc(C)s2)cc1O Cc1ccc(C[*:1])s1 COc1ccc(cc1O)CNC(=O)CC[*:1]
COc1ccc(CNC(=O)CCCc2ccc(C)s2)cc1O Cc1ccc(s1)[*:1] COc1ccc(cc1O)CNC(=O)CCC[*:1]
COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CCC(=O)[O-])c1 Cc1cccc(c1)[*:1] COc1cccc(c1)[C@@H]1CC(=NN1C(=O)CCC(=O)[O-])[*:1]
COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CCC(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)[C@@H]1CC(=NN1C(=O)CC[*:1])c1cccc(C)c1
COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CCC(=O)[O-])c1 O=C([O-])C[*:1] COc1cccc(c1)[C@@H]1CC(=NN1C(=O)C[*:1])c1cccc(C)c1
COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CCC(=O)[O-])c1 COc1cccc(c1)[*:1] Cc1cccc(c1)C1C[C@H](N(N=1)C(=O)CCC(=O)[O-])[*:1]
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)c2)C1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1cccc(OC(=O)Cc2ccon2)c1C c1cc(no1)[*:1] Cc1cccc(OC(=O)C[*:1])c1C
C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cccc2cc[nH]c12 Fc1ccc(c(F)c1)[*:1] C[C@@H](CO[*:1])NC(=O)c1cccc2cc[nH]c12
Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1ccc(O)cc1)CC(=O)N2 c1ccc(cc1)[*:1] Cc1nn(-c2nncc(n2)[*:1])c2NC(=O)C[C@H](c3ccc(O)cc3)c12
Cc1nn(-c2nncc(-c3ccccc3)n2)c2c1[C@@H](c1ccc(O)cc1)CC(=O)N2 Oc1ccc(cc1)[*:1] Cc1nn(-c2nncc(n2)-c2ccccc2)c2NC(=O)C[C@H](c12)[*:1]
C/C(=N/NC(=O)CSc1nnc(N)s1)c1ccc2c(c1)OCO2 Nc1nnc(S[*:1])s1 C/C(=N/NC(=O)C[*:1])c1ccc2OCOc2c1
C/C(=N/NC(=O)CSc1nnc(N)s1)c1ccc2c(c1)OCO2 Nc1nnc(s1)[*:1] C/C(=N/NC(=O)CS[*:1])c1ccc2OCOc2c1
NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)CN[C@H]2C=CS(=O)(=O)C2)CC1 NC(=O)[*:1] O=C(CN[C@H]1C=CS(=O)(=O)C1)N1CCC(CC1)c1nc2ccc(F)cc2cc1[*:1]
N#CCCSc1nnc(SCC(N)=O)s1 N#CCCS[*:1] NC(=O)CSc1nnc(s1)[*:1]
N#CCCSc1nnc(SCC(N)=O)s1 N#CCC[*:1] NC(=O)CSc1nnc(S[*:1])s1
N#CCCSc1nnc(SCC(N)=O)s1 NC(=O)CS[*:1] N#CCCSc1nnc(s1)[*:1]
N#CCCSc1nnc(SCC(N)=O)s1 NC(=O)C[*:1] N#CCCSc1nnc(S[*:1])s1
N#CCCSc1nnc(SCC(N)=O)s1 N#CC[*:1] NC(=O)CSc1nnc(SC[*:1])s1
N#CCCSc1nnc(SCC(N)=O)s1 NC(=O)[*:1] N#CCCSc1nnc(SC[*:1])s1
Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NN=C[*:1])[C@H]1CC(=O)N(Cc2ccco2)C1
Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 c1coc(c1)C[*:1] Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(C2)[*:1])cc1
Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 c1coc(c1)[*:1] Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(C2)C[*:1])cc1
CC(C)c1noc(-c2ccc(NC(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)cc2)n1 CC(C)[*:1] O=C(Nc1ccc(cc1)-c1nc(no1)[*:1])N[C@H]1CCO[C@@]2(CCOC2)C1
CC(C)c1noc(-c2ccc(NC(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)cc2)n1 CC(C)c1noc(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H]1CCO[C@@]2(CCOC2)C1
C[C@@H](CCc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)CO2 c1coc(c1)[*:1] C[C@@H](CC[*:1])NC(=O)c1ccc2OCC(=O)Nc2c1
C[C@@H](CCc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)CO2 c1coc(c1)CC[*:1] C[C@@H](NC(=O)c1ccc2OCC(=O)Nc2c1)[*:1]
C[C@@H](CCc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)CO2 c1coc(c1)C[*:1] C[C@@H](C[*:1])NC(=O)c1ccc2OCC(=O)Nc2c1
Cn1cc(CN2CC[NH+](C)CC2(C)C)c(-c2ccncc2)n1 c1cc(ccn1)[*:1] Cn1cc(CN2CC[NH+](C)CC2(C)C)c(n1)[*:1]
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cc2NC(=O)[C@@H](C)Oc2cc1S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
C#CC[C@H](Nc1nccc(OCc2ccccc2)n1)C(N)=O c1ccc(cc1)[*:1] C#CC[C@H](Nc1nccc(n1)OC[*:1])C(N)=O
C#CC[C@H](Nc1nccc(OCc2ccccc2)n1)C(N)=O NC(=O)[*:1] C#CC[C@H](Nc1nccc(n1)OCc1ccccc1)[*:1]
C#CC[C@H](Nc1nccc(OCc2ccccc2)n1)C(N)=O C#CC[*:1] NC(=O)[C@@H](Nc1nccc(n1)OCc1ccccc1)[*:1]
C#CC[C@H](Nc1nccc(OCc2ccccc2)n1)C(N)=O c1ccc(cc1)C[*:1] C#CC[C@H](Nc1nccc(n1)O[*:1])C(N)=O
CSCC(=O)N[C@H](Cn1cncn1)c1ccccc1 c1ncn(C[*:1])n1 CSCC(=O)N[C@H](c1ccccc1)[*:1]
CSCC(=O)N[C@H](Cn1cncn1)c1ccccc1 CSCC(=O)N[*:1] c1ccc(cc1)[C@@H](Cn1cncn1)[*:1]
CSCC(=O)N[C@H](Cn1cncn1)c1ccccc1 CSC[*:1] O=C(N[C@H](Cn1cncn1)c1ccccc1)[*:1]
CSCC(=O)N[C@H](Cn1cncn1)c1ccccc1 c1ccc(cc1)[*:1] CSCC(=O)N[C@H](Cn1cncn1)[*:1]
CSCC(=O)N[C@H](Cn1cncn1)c1ccccc1 c1ncn(n1)[*:1] CSCC(=O)N[C@H](C[*:1])c1ccccc1
COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2I)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1cc(ccc1I)[N+](=O)[O-]
COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2I)[NH+]2CCCC2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)[C@@H](CNC(=O)c1cc(ccc1I)[*:1])[NH+]1CCCC1
COc1ccc2c(C[C@@H]3[C@@H](O)c4ccccc4S(=O)(=O)N3Cc3cccnc3)c[nH]c2c1 c1cncc(c1)C[*:1] COc1ccc2c(c[nH]c2c1)C[C@@H]1[C@@H](O)c2ccccc2S(=O)(=O)N1[*:1]
COc1ccc2c(C[C@@H]3[C@@H](O)c4ccccc4S(=O)(=O)N3Cc3cccnc3)c[nH]c2c1 c1cncc(c1)[*:1] COc1ccc2c(c[nH]c2c1)C[C@@H]1[C@@H](O)c2ccccc2S(=O)(=O)N1C[*:1]
N#C[C@@H](NC(=O)CCOc1cccc(Br)c1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] N#C[C@@H](NC(=O)CCOc1cccc(Br)c1)[*:1]
N#C[C@@H](NC(=O)CCOc1cccc(Br)c1)c1ccc(F)cc1F Brc1cccc(c1)O[*:1] N#C[C@@H](NC(=O)CC[*:1])c1ccc(F)cc1F
N#C[C@@H](NC(=O)CCOc1cccc(Br)c1)c1ccc(F)cc1F Brc1cccc(c1)[*:1] N#C[C@@H](NC(=O)CCO[*:1])c1ccc(F)cc1F
CCOC(=O)/C=C(\N)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)/C=C(\N)C(=O)NC[*:1]
CCOC(=O)/C=C(\N)C(=O)NCc1ccccc1 CCOC(=O)[*:1] NC(=C[*:1])C(=O)NCc1ccccc1
O=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1c(Cl)cccc1Cl)NCC[*:1]
C[NH+](C)C(C)(C)COc1nc2c(cc1C(=O)[O-])CCC2 O=C([O-])[*:1] C[NH+](C)C(C)(C)COc1nc2CCCc2cc1[*:1]
CCC[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[*:1]
CCC[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 CCC[*:1] O=C(CNC(=O)[C@@H](c1ccccc1)[*:1])Nc1ccc(F)c(F)c1F
CC[C@@H](C#N)OC(=O)c1ccc(CCNC(N)=O)cc1 NC(=O)N[*:1] CC[C@@H](C#N)OC(=O)c1ccc(cc1)CC[*:1]
CC[C@@H](C#N)OC(=O)c1ccc(CCNC(N)=O)cc1 NC(=O)NCC[*:1] CC[C@@H](C#N)OC(=O)c1ccc(cc1)[*:1]
CC[C@@H](C#N)OC(=O)c1ccc(CCNC(N)=O)cc1 NC(=O)NC[*:1] CC[C@@H](C#N)OC(=O)c1ccc(cc1)C[*:1]
C[C@H]1CN(C(=O)c2cc3ccccc3cc2OC(F)F)[C@H](C)CO1 FC(F)[*:1] C[C@H]1CN(C(=O)c2cc3ccccc3cc2O[*:1])[C@H](C)CO1
C[C@H]1CN(C(=O)c2cc3ccccc3cc2OC(F)F)[C@H](C)CO1 FC(F)O[*:1] C[C@H]1CN(C(=O)c2cc3ccccc3cc2[*:1])[C@H](C)CO1
CCOc1ccc2[nH]c(-c3ccc(Br)s3)nc2n1 CCO[*:1] Brc1ccc(s1)-c1nc2nc(ccc2[nH]1)[*:1]
CCOc1ccc2[nH]c(-c3ccc(Br)s3)nc2n1 Brc1ccc(s1)[*:1] CCOc1ccc2[nH]c(nc2n1)[*:1]
Cc1cc2nc(SC[C@H](O)CO)[nH]c2cc1C OC[C@@H](O)[*:1] Cc1cc2nc([nH]c2cc1C)SC[*:1]
Cc1cc2nc(SC[C@H](O)CO)[nH]c2cc1C OC[C@@H](O)C[*:1] Cc1cc2nc([nH]c2cc1C)S[*:1]
Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)[C@H](C)[NH2+][C@@H](C)[*:1]
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCCC[C@H]1C O=[N+]([O-])[*:1] Cc1ncc(n1CC(=O)N[C@@H]1CCCC[C@H]1C)[*:1]
CC(C)OC[C@H](N)c1ccncn1 CC(C)O[*:1] N[C@@H](C[*:1])c1ccncn1
CC(C)OC[C@H](N)c1ccncn1 CC(C)[*:1] N[C@@H](CO[*:1])c1ccncn1
Cc1cc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1
Cc1cc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)ccc1[N+](=O)[O-] NC(=O)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
Cc1ccc(S(=O)(=O)Oc2c(C)cccc2C=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Oc1c(C)cccc1C=O
CCOC[C@@H]1CCN(C(=O)NCCC(=O)Nc2cccc(C)n2)C1 CCO[*:1] Cc1cccc(n1)NC(=O)CCNC(=O)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)NCCC(=O)Nc2cccc(C)n2)C1 Cc1cccc(n1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)NCCC(=O)N[*:1]
CCOC[C@@H]1CCN(C(=O)NCCC(=O)Nc2cccc(C)n2)C1 CCOC[*:1] Cc1cccc(n1)NC(=O)CCNC(=O)N1CC[C@H](C1)[*:1]
NC(=O)c1ccccc1NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 c1ccc(cc1)[*:1] NC(=O)c1ccccc1NC(=O)c1ccc(OCC[*:1])c(Br)c1
NC(=O)c1ccccc1NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 c1ccc(cc1)C[*:1] NC(=O)c1ccccc1NC(=O)c1ccc(OC[*:1])c(Br)c1
NC(=O)c1ccccc1NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 c1ccc(cc1)CC[*:1] NC(=O)c1ccccc1NC(=O)c1ccc(O[*:1])c(Br)c1
NC(=O)c1ccccc1NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 NC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(OCCc2ccccc2)c(Br)c1
NC(=O)c1ccccc1NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 NC(=O)c1ccccc1[*:1] O=C(N[*:1])c1ccc(OCCc2ccccc2)c(Br)c1
NC(=O)c1ccccc1NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 c1ccc(cc1)CCO[*:1] NC(=O)c1ccccc1NC(=O)c1ccc(c(Br)c1)[*:1]
C#CCCOc1ccc(CN2CCO[C@@H](C)[C@H]2C)cc1 C#CCCO[*:1] C[C@@H]1OCCN(Cc2ccc(cc2)[*:1])[C@@H]1C
C#CCCOc1ccc(CN2CCO[C@@H](C)[C@H]2C)cc1 C#CCC[*:1] C[C@@H]1OCCN(Cc2ccc(cc2)O[*:1])[C@@H]1C
C#CCCOc1ccc(CN2CCO[C@@H](C)[C@H]2C)cc1 C#CC[*:1] C[C@@H]1OCCN(Cc2ccc(cc2)OC[*:1])[C@@H]1C
CCC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)C1 Fc1ccccc1[*:1] CCC(=O)N1CC[C@@H](C1)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
COc1ccc(NC(=O)N2CCNC(=O)C2)cc1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1C[*:1])NC(=O)N1CCNC(=O)C1
COc1ccc(NC(=O)N2CCNC(=O)C2)cc1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1[*:1])NC(=O)N1CCNC(=O)C1
COc1cc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)cc1OC Clc1ccccc1[*:1] COc1cc(OC)c(cc1OC)[C@@H]1CC(O)=Nc2c1ncn2[*:1]
[NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
[NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)O[*:1]
[NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] [NH3+][C@H](C[*:1])C(=O)Nc1ccc(cc1)Oc1ccccc1
[NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)C[*:1] [NH3+][C@H](C(=O)Nc1ccc(cc1)Oc1ccccc1)[*:1]
Cc1cccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2F)c1C Cc1cccc(c1C)[*:1] O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F)N[*:1]
Cc1cccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2F)c1C Fc1ccccc1[*:1] Cc1cccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2[*:1])c1C
Cc1cccc(O[C@@H](C)C(=O)NCc2cccs2)c1 c1csc(c1)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)NC[*:1]
Cc1cccc(O[C@@H](C)C(=O)NCc2cccs2)c1 c1csc(c1)C[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)N[*:1]
Cc1ccc(C(=O)N2CCN(Cc3ccsc3)CC2)c(=O)[nH]1 c1cc(cs1)C[*:1] Cc1ccc(C(=O)N2CCN(CC2)[*:1])c(=O)[nH]1
Cc1ccc(C(=O)N2CCN(Cc3ccsc3)CC2)c(=O)[nH]1 c1cc(cs1)[*:1] Cc1ccc(C(=O)N2CCN(CC2)C[*:1])c(=O)[nH]1
CC[C@H](NC(=O)N1CCC[C@H](CNC(C)=O)C1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)N1CCC[C@H](CNC(C)=O)C1)c1cccc(c1)[*:1]
CC[C@H](NC(=O)N1CCC[C@H](CNC(C)=O)C1)c1cccc([N+](=O)[O-])c1 CC(=O)N[*:1] CC[C@H](NC(=O)N1CCC[C@@H](C1)C[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)N1CCC[C@H](CNC(C)=O)C1)c1cccc([N+](=O)[O-])c1 CC(=O)NC[*:1] CC[C@H](NC(=O)N1CCC[C@H](C1)[*:1])c1cccc(c1)[N+](=O)[O-]
Cc1nc(N2CCC[C@H](C(=O)NCc3ccsc3)C2)nc2cc(S(C)(=O)=O)ccc12 O=C(NCc1ccsc1)[*:1] Cc1nc(nc2cc(ccc12)S(C)(=O)=O)N1CCC[C@H](C1)[*:1]
Cc1nc(N2CCC[C@H](C(=O)NCc3ccsc3)C2)nc2cc(S(C)(=O)=O)ccc12 c1cc(cs1)C[*:1] Cc1nc(nc2cc(ccc12)S(C)(=O)=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1nc(N2CCC[C@H](C(=O)NCc3ccsc3)C2)nc2cc(S(C)(=O)=O)ccc12 c1cc(cs1)[*:1] Cc1nc(nc2cc(ccc12)S(C)(=O)=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
Cc1nc(N2CCC[C@H](C(=O)NCc3ccsc3)C2)nc2cc(S(C)(=O)=O)ccc12 CS(=O)(=O)[*:1] Cc1nc(nc2cc(ccc12)[*:1])N1CCC[C@@H](C1)C(=O)NCc1ccsc1
C[C@H](O)[C@H]1NC(=O)[C@H]2CN(C(=O)Nc3ccccc3)CCN2C1=O C[C@H](O)[*:1] O=C1N[C@@H](C(=O)N2CCN(C[C@H]12)C(=O)Nc1ccccc1)[*:1]
C[C@H](O)[C@H]1NC(=O)[C@H]2CN(C(=O)Nc3ccccc3)CCN2C1=O c1ccc(cc1)[*:1] C[C@H](O)[C@H]1NC(=O)[C@H]2CN(CCN2C1=O)C(=O)N[*:1]
CCc1ccc(CC(=O)Nc2ccccc2CC(=O)OC)cc1 COC(=O)[*:1] CCc1ccc(cc1)CC(=O)Nc1ccccc1C[*:1]
CCc1ccc(CC(=O)Nc2ccccc2CC(=O)OC)cc1 COC(=O)C[*:1] CCc1ccc(cc1)CC(=O)Nc1ccccc1[*:1]
COc1c(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)c(C)nn1C C1CC1[*:1] COc1c(NC(=O)c2ccc(cc2)-c2nc(no2)[*:1])c(C)nn1C
COc1c(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)c(C)nn1C C1CC1c1noc(n1)[*:1] COc1c(NC(=O)c2ccc(cc2)[*:1])c(C)nn1C
COc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] COc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(CC1)S(=O)(=O)[*:1]
CCC[NH2+][C@@H](c1cccc(OC)c1)[C@H](C)OC CCC[*:1] COc1cccc(c1)[C@H]([NH2+][*:1])[C@H](C)OC
CCC[NH2+][C@@H](c1cccc(OC)c1)[C@H](C)OC CO[C@@H](C)[*:1] CCC[NH2+][C@@H](c1cccc(c1)OC)[*:1]
CC(=O)Oc1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 CC(=O)O[*:1] O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc(cc1)[*:1]
O=c1[nH]c(C2CC2)nc2sc(-c3ccccc3)cc12 c1ccc(cc1)[*:1] O=c1[nH]c(nc2sc(cc12)[*:1])C1CC1
O=c1[nH]c(C2CC2)nc2sc(-c3ccccc3)cc12 C1CC1[*:1] O=c1[nH]c(nc2sc(cc12)-c1ccccc1)[*:1]
COc1c(C)c[nH+]c(C[C@@H](CO)c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] COc1c(C)c[nH+]c(C[C@@H](CO)[*:1])c1C
O=[N+]([O-])c1ccc(-c2ccc(CN3CCCN(c4ncccn4)CC3)s2)cc1 c1cnc(nc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1ccc(CN2CCCN(CC2)[*:1])s1
O=[N+]([O-])c1ccc(-c2ccc(CN3CCCN(c4ncccn4)CC3)s2)cc1 O=[N+]([O-])[*:1] c1cnc(nc1)N1CCCN(CC1)Cc1ccc(s1)-c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(-c2ccc(CN3CCCN(c4ncccn4)CC3)s2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] c1cnc(nc1)N1CCCN(CC1)Cc1ccc(s1)[*:1]
Cc1ccc(C(=O)N(C)[C@@H](C)c2cccnc2)c(C)n1 c1cncc(c1)[*:1] Cc1ccc(C(=O)N(C)[C@@H](C)[*:1])c(C)n1
COc1cccc(-c2nc(N3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2)c1O COc1cccc(c1O)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1nc(nc2ccccc12)[*:1]
CCCNC(=O)[C@H](C)NC(=O)[C@@](C)([NH3+])CC CCC[*:1] CC[C@](C)([NH3+])C(=O)N[C@@H](C)C(=O)N[*:1]
CC(=O)C1=C[C@@H](C(=O)N2CCC[C@H](CCc3ccccc3C)C2)N=N1 Cc1ccccc1C[*:1] CC(=O)C1=C[C@H](N=N1)C(=O)N1CCC[C@@H](C1)C[*:1]
CC(=O)C1=C[C@@H](C(=O)N2CCC[C@H](CCc3ccccc3C)C2)N=N1 Cc1ccccc1[*:1] CC(=O)C1=C[C@H](N=N1)C(=O)N1CCC[C@H](CC[*:1])C1
CC(=O)C1=C[C@@H](C(=O)N2CCC[C@H](CCc3ccccc3C)C2)N=N1 CC(=O)[*:1] Cc1ccccc1CC[C@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)[*:1]
CCS(=O)(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 CCS(=O)(=O)NC[*:1] c1coc(c1)[C@@H](N1CCc2ccccc2C1)[*:1]
CCS(=O)(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 CCS(=O)(=O)N[*:1] c1coc(c1)[C@H](C[*:1])N1CCc2ccccc2C1
CCS(=O)(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 c1coc(c1)[*:1] CCS(=O)(=O)NC[C@@H](N1CCc2ccccc2C1)[*:1]
COc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc(OC)c1OC FC(F)(F)[*:1] COc1cc(cc(OC)c1OC)NC(=O)Cn1nc(c2CCCc21)[*:1]
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1occc1Br Brc1ccoc1[*:1] O=C1CCCN1Cc1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1occc1Br O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)C[*:1])c1occc1Br
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1occc1Br O=C1CCCN1C[*:1] O=C(Nc1ccc(cc1)[*:1])c1occc1Br
COc1ccccc1N[C@H](C)C(=O)NC(C)(C)C CC(C)(C)[*:1] COc1ccccc1N[C@H](C)C(=O)N[*:1]
O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 O=C(c1ccc(O)cc1)[*:1] O=C(c1ccc2OCCCOc2c1)N1CCC(CC1)[*:1]
O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 Oc1ccc(cc1)[*:1] O=C(c1ccc2OCCCOc2c1)N1CCC(CC1)C(=O)[*:1]
Cc1ccc(CC(=O)N[C@H](C)Cn2cncn2)cc1O c1ncn(C[*:1])n1 Cc1ccc(cc1O)CC(=O)N[C@H](C)[*:1]
Cc1ccc(CC(=O)N[C@H](C)Cn2cncn2)cc1O c1ncn(n1)[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](C)C[*:1]
CC(C)c1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Cl)c1 CC(C)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1cnn(-c2cccc(Cl)c2)c1[*:1]
CC(C)c1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)c1c(cnn1[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
CC(C)c1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Cl)c1 O=[N+]([O-])[*:1] CC(C)c1c(cnn1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Cl)c1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)c1c(cnn1-c1cccc(Cl)c1)C(=O)N[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)[C@@]1(F)CCN(C1)C(=O)[C@H](C)NC(=O)[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)C1 COC(=O)[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@](F)(C1)[*:1]
C[C@H](O)C[C@@H](C)CNc1ncc(C(=O)N2CCCCC2)cc1Cl C[C@H](O)C[*:1] C[C@@H](CNc1ncc(cc1Cl)C(=O)N1CCCCC1)[*:1]
C[C@H](O)C[C@@H](C)CNc1ncc(C(=O)N2CCCCC2)cc1Cl C[C@H](O)[*:1] C[C@@H](CNc1ncc(cc1Cl)C(=O)N1CCCCC1)C[*:1]
C#Cc1cccc(NC(=O)CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)c1 CN(C)[*:1] C#Cc1cccc(c1)NC(=O)CN(C)[C@H](C)c1nc(N)nc(n1)[*:1]
C#Cc1cccc(NC(=O)CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)c1 C#Cc1cccc(c1)[*:1] C[C@H](c1nc(N)nc(n1)N(C)C)N(C)CC(=O)N[*:1]
CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(F)cc1 CCO[*:1] O=C(N/N=C\c1c(ccc2ccccc12)[*:1])c1ccc(F)cc1
CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc2ccccc2c1/C=N\NC(=O)[*:1]
CN(C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)Nc1cccc(c1)OC[C@H]1CCCO1)[*:1]
CN(C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)C1CCCCC1 C1CO[C@H](C1)[*:1] CN(C(=O)Nc1cccc(c1)OC[*:1])C1CCCCC1
CN(C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)C1CCCCC1 C1CO[C@H](C1)CO[*:1] CN(C(=O)Nc1cccc(c1)[*:1])C1CCCCC1
CN(C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)C1CCCCC1 C1CO[C@H](C1)C[*:1] CN(C(=O)Nc1cccc(c1)O[*:1])C1CCCCC1
O=C(c1ccncc1)N1CCN(C(=O)C2CC=CC2)CC1 c1cc(ccn1)[*:1] O=C(C1CC=CC1)N1CCN(CC1)C(=O)[*:1]
CC(C)(CNC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1)C(N)=O CC(C)(C[*:1])C(N)=O O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)N[*:1]
CC(C)(CNC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1)C(N)=O CC(C)(C(N)=O)[*:1] O=C(NC[*:1])N[C@@H](c1ccc(Cl)cc1)c1ccsc1
CC(C)(CNC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1)C(N)=O NC(=O)[*:1] CC(C)(CNC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1)[*:1]
CC(C)(CNC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1)C(N)=O c1cc(cs1)[*:1] CC(C)(CNC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1])C(N)=O
CC(C)(CNC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1)C(N)=O Clc1ccc(cc1)[*:1] CC(C)(CNC(=O)N[C@@H](c1ccsc1)[*:1])C(N)=O
Cc1oc(-c2ccco2)nc1CC(=O)N1CCOc2ccc(F)cc21 c1coc(c1)[*:1] Cc1oc(nc1CC(=O)N1CCOc2ccc(F)cc21)[*:1]
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cn(C)nc2C(C)(C)C)cc1 CNS(=O)(=O)[*:1] C[C@@H](NC(=O)c1cn(C)nc1C(C)(C)C)c1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cn(C)nc2C(C)(C)C)cc1 CC(C)(C)[*:1] CNS(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cn(C)nc1[*:1]
CCOC(=O)C1CCN(C(=O)c2cccc(/N=C3\N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)CC1 CCOC(=O)[*:1] O=C(c1cccc(c1)/N=C1\N[C@H]2CS(=O)(=O)C[C@@H]2S1)N1CCC(CC1)[*:1]
CC[C@H](C)C[NH+]1CCN(CC(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] CC[C@H](C)C[NH+]1CCN(CC1)C[*:1]
CC[C@H](C)C[NH+]1CCN(CC(=O)NC2CC2)CC1 CC[C@H](C)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])NC1CC1
CC[C@H](C)C[NH+]1CCN(CC(=O)NC2CC2)CC1 C1CC1[*:1] CC[C@H](C)C[NH+]1CCN(CC1)CC(=O)N[*:1]
COc1ncncc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 COc1ncncc1[*:1] O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[*:1]
COc1ncncc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ncncc1NC(=O)N[C@@H](CC(F)(F)F)[*:1]
COc1ncncc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] COc1ncncc1NC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
COc1ncncc1NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] COc1ncncc1NC(=O)N[C@@H](C[*:1])c1ccc(F)cc1
COc1cc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC[*:1]
COc1cc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O Clc1ccc(cc1Cl)[*:1] COc1cc(/C=C/C(=O)N[*:1])ccc1OCC(N)=O
COc1cc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[*:1]
COc1cc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O[*:1]
O=C(Nn1ccc2c(cnc3nc(SCc4ccccc4)nn32)c1=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(Nn1ccc2c(cnc3nc(nn32)SCc2ccccc2)c1=O)[*:1]
O=C(Nn1ccc2c(cnc3nc(SCc4ccccc4)nn32)c1=O)c1ccc2c(c1)OCCO2 c1ccc(cc1)C[*:1] O=C(Nn1ccc2c(cnc3nc(nn32)S[*:1])c1=O)c1ccc2OCCOc2c1
O=C(Nn1ccc2c(cnc3nc(SCc4ccccc4)nn32)c1=O)c1ccc2c(c1)OCCO2 c1ccc(cc1)CS[*:1] O=C(Nn1ccc2c(cnc3nc(nn32)[*:1])c1=O)c1ccc2OCCOc2c1
O=C(Nn1ccc2c(cnc3nc(SCc4ccccc4)nn32)c1=O)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(Nn1ccc2c(cnc3nc(nn32)SC[*:1])c1=O)c1ccc2OCCOc2c1
CC(C)(CNC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NC[*:1])N1CCC(CC1)c1nc2ccccc2s1
CC(C)(CNC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccncc1 c1ccc2sc(nc2c1)[*:1] CC(C)(CNC(=O)N1CCC(CC1)[*:1])c1ccncc1
CC(C)(CNC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N1CCC(CC1)c1nc2ccccc2s1)[*:1]
Cc1nn(C(C)C)c(C)c1NC(=O)CCn1ncc2cccc(C)c21 CC(C)[*:1] Cc1nn(c(C)c1NC(=O)CCn1ncc2cccc(C)c21)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)cc1Cl c1cncc(c1)[*:1] COc1ccc(cc1Cl)C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)cc1Cl COc1ccc(cc1Cl)[*:1] C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccnc1
Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O Cc1cc(Cl)ccc1[*:1] CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)[*:1]
Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O FC(F)(F)[*:1] Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1[*:1])S(C)(=O)=O
Cc1c(C(=O)Nc2nc(-c3ccccc3)cs2)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)C(=O)Nc1nc(cs1)[*:1]
Cc1c(C(=O)Nc2nc(-c3ccccc3)cs2)cnn1C Cc1c(cnn1C)[*:1] O=C(Nc1nc(cs1)-c1ccccc1)[*:1]
COC(=O)c1c[nH]cc1Cc1cccc(Cl)c1 COC(=O)[*:1] Clc1cccc(c1)Cc1c[nH]cc1[*:1]
CCc1nc2sc([C@@H](c3cccc(OC)c3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 COc1cccc(c1)[*:1] CCc1nc2sc(c(O)n2n1)[C@@H](N1C[C@H](C)O[C@H](C)C1)[*:1]
CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 CC(C)[*:1] CCC(C)(C)NC(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
CCC(C)(C)NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 CCC(C)(C)[*:1] CC(C)N(C)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 Oc1cccc(c1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)N1CCCCC1)[*:1]
CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 O=C(N1CCCCC1)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1[*:1])c1cccc(O)c1
O=C1N[C@@]23c4ccccc4C[C@]2(C1=O)c1ccccc1N3c1ccccc1 c1ccc(cc1)[*:1] O=C1N[C@@]23c4ccccc4C[C@]2(C1=O)c1ccccc1N3[*:1]
COC(=O)CCn1c(=O)cc(C(F)(F)F)c2cn(C)nc21 COC(=O)C[*:1] Cn1cc2c(cc(=O)n(C[*:1])c2n1)C(F)(F)F
COC(=O)CCn1c(=O)cc(C(F)(F)F)c2cn(C)nc21 COC(=O)CC[*:1] Cn1cc2c(cc(=O)n(c2n1)[*:1])C(F)(F)F
COC(=O)CCn1c(=O)cc(C(F)(F)F)c2cn(C)nc21 COC(=O)[*:1] Cn1cc2c(cc(=O)n(CC[*:1])c2n1)C(F)(F)F
COC(=O)CCn1c(=O)cc(C(F)(F)F)c2cn(C)nc21 FC(F)(F)[*:1] COC(=O)CCn1c(=O)cc(c2cn(C)nc21)[*:1]
Cc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 CC(C)[*:1] Cc1ccccc1NC(=O)N1CCC[C@H]1c1cc(no1)[*:1]
Cc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 Cc1ccccc1[*:1] CC(C)c1cc(on1)[C@@H]1CCCN1C(=O)N[*:1]
C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn12 O=[N+]([O-])[*:1] C[C@@H](Nc1ccc(cc1)[*:1])c1nnc2ccccn12
C[C@H](CNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](CNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[*:1]
C[C@H](CNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Cc1cccs1 c1csc(c1)[*:1] C[C@H](CNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C[*:1]
C[C@H](CNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Cc1cccs1 c1ccc(cc1)[*:1] C[C@H](CNc1nc2c(cnn2[*:1])c(=O)[nH]1)Cc1cccs1
N#C[C@H]1COCCN1C(=O)CCC(=O)c1cccs1 c1csc(c1)[*:1] N#C[C@H]1COCCN1C(=O)CCC(=O)[*:1]
CC[C@@H](O)Cn1c(C2CC2)nc2ccccc21 CC[C@@H](O)C[*:1] c1ccc2c(c1)nc(C1CC1)n2[*:1]
CC[C@@H](O)Cn1c(C2CC2)nc2ccccc21 C1CC1[*:1] CC[C@@H](O)Cn1c(nc2ccccc21)[*:1]
CC[C@@H](O)Cn1c(C2CC2)nc2ccccc21 CC[C@@H](O)[*:1] c1ccc2c(c1)nc(C1CC1)n2C[*:1]
Cn1ncc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(Cl)c1=O c1ccc(cc1)[*:1] Cn1ncc(c(Cl)c1=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCc1ccsc1CNCc1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CCc1ccsc1CNCc1ccc(cc1)[*:1]
CCc1ccsc1CNCc1ccc(-n2ccnc2)cc1 CCc1ccsc1[*:1] c1cn(cn1)-c1ccc(cc1)CNC[*:1]
Cc1cnc(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)s1 Cc1cnc(s1)[*:1] O=C(N[*:1])c1ccn(COc2c(Cl)cccc2Cl)n1
Cc1cnc(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)s1 Clc1cccc(Cl)c1[*:1] Cc1cnc(NC(=O)c2ccn(CO[*:1])n2)s1
C[C@@H]1CCC[C@H](C[NH+]2CCN(C(=O)c3ccco3)CC2)C1 c1coc(c1)[*:1] C[C@@H]1CCC[C@@H](C1)C[NH+]1CCN(CC1)C(=O)[*:1]
CCC[C@@H](C[NH3+])[C@@H](O)c1ccc(OC)c(Cl)c1 CCC[*:1] COc1ccc(cc1Cl)[C@H](O)[C@H](C[NH3+])[*:1]
CCCCN(C)C(=O)NCc1ccc(OC)c(F)c1 CCC[*:1] COc1ccc(cc1F)CNC(=O)N(C)C[*:1]
CCCCN(C)C(=O)NCc1ccc(OC)c(F)c1 CCCC[*:1] COc1ccc(cc1F)CNC(=O)N(C)[*:1]
CC(C)CNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 CC(C)[*:1] C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NC[*:1]
CC(C)CNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 CC(C)C[*:1] C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N[*:1]
CC(C)CNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 C1CC1[*:1] CC(C)CNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1[*:1]
CC(C)CNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 CC(C)CNC(=O)[C@H](C)[*:1] c1ccc2c(c[nH]c2c1)-c1nnc(S[*:1])n1C1CC1
CC(C)CNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 CC(C)CNC(=O)[*:1] C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)[*:1]
CC(C)CNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 c1ccc2c(c[nH]c2c1)[*:1] CC(C)CNC(=O)[C@H](C)Sc1nnc(n1C1CC1)[*:1]
O=C(CCc1nc(-c2ccco2)no1)Oc1c(Cl)cc(Cl)cc1Cl c1coc(c1)[*:1] O=C(CCc1nc(no1)[*:1])Oc1c(Cl)cc(Cl)cc1Cl
O=C(NCc1cccc(CN2CCOCC2)c1)c1ccccc1O Oc1ccccc1[*:1] O=C(NCc1cccc(c1)CN1CCOCC1)[*:1]
O=C(NCc1cccc(CN2CCOCC2)c1)c1ccccc1O C1CN(CCO1)C[*:1] O=C(NCc1cccc(c1)[*:1])c1ccccc1O
O=C(NCc1cccc(CN2CCOCC2)c1)c1ccccc1O C1CN(CCO1)[*:1] O=C(NCc1cccc(c1)C[*:1])c1ccccc1O
Cc1noc(C)c1COc1ccc(C(=O)O[C@@H](C)C(N)=O)cc1 Cc1noc(C)c1[*:1] C[C@H](OC(=O)c1ccc(cc1)OC[*:1])C(N)=O
Cc1noc(C)c1COc1ccc(C(=O)O[C@@H](C)C(N)=O)cc1 C[C@@H](C(N)=O)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)O[*:1]
Cc1noc(C)c1COc1ccc(C(=O)O[C@@H](C)C(N)=O)cc1 NC(=O)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)O[C@@H](C)[*:1]
C[NH2+][C@@H](Cc1ccsc1)C(C)(C)[NH+]1CCCCCC1 c1cc(cs1)[*:1] C[NH2+][C@@H](C[*:1])C(C)(C)[NH+]1CCCCCC1
C[NH2+][C@@H](Cc1ccsc1)C(C)(C)[NH+]1CCCCCC1 c1cc(cs1)C[*:1] C[NH2+][C@@H](C(C)(C)[NH+]1CCCCCC1)[*:1]
COCCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2 COCCC[*:1] CN1CCc2c(C#N)c(nc(c2C1)N1CCCC1)N[*:1]
COCCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2 COCC[*:1] CN1CCc2c(C#N)c(nc(c2C1)N1CCCC1)NC[*:1]
COCCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2 C1CCN(C1)[*:1] COCCCNc1nc(c2CN(C)CCc2c1C#N)[*:1]
COCCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2 COCCCN[*:1] CN1CCc2c(C#N)c(nc(c2C1)N1CCCC1)[*:1]
COCCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2 COC[*:1] CN1CCc2c(C#N)c(nc(c2C1)N1CCCC1)NCC[*:1]
Cc1ccccc1-n1c(S[C@@H]2CCOC2=O)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])S[C@@H]1CCOC1=O
Cc1ccccc1-n1c(S[C@@H]2CCOC2=O)nnc1-c1ccc(Cl)cc1 Cc1ccccc1[*:1] O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)n1[*:1]
C=CCOCCCC(=O)Nc1cnc2ccccc2n1 C=CCO[*:1] O=C(CCC[*:1])Nc1cnc2ccccc2n1
C=CCOCCCC(=O)Nc1cnc2ccccc2n1 C=CC[*:1] O=C(CCCO[*:1])Nc1cnc2ccccc2n1
C=CCOCCCC(=O)Nc1cnc2ccccc2n1 C=CCOCC[*:1] O=C(C[*:1])Nc1cnc2ccccc2n1
C=CCOCCCC(=O)Nc1cnc2ccccc2n1 C=CCOC[*:1] O=C(CC[*:1])Nc1cnc2ccccc2n1
Cc1cccc(-n2ccnc2SC[C@@H](O)c2c(F)cccc2F)c1 Fc1cccc(F)c1[*:1] Cc1cccc(c1)-n1ccnc1SC[C@@H](O)[*:1]
Cc1cccc(-n2ccnc2SC[C@@H](O)c2c(F)cccc2F)c1 Cc1cccc(c1)[*:1] O[C@H](CSc1nccn1[*:1])c1c(F)cccc1F
CC(C)c1ccc(C(=O)[C@H](Br)CC(=O)[O-])cc1 CC(C)[*:1] O=C([O-])C[C@@H](Br)C(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(C(=O)[C@H](Br)CC(=O)[O-])cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)C(=O)[C@H](Br)C[*:1]
CN1CCO[C@H](CNC(=O)c2ccc(/C=C/C(=O)[O-])s2)C1 O=C([O-])C=C[*:1] CN1CCO[C@H](CNC(=O)c2ccc(s2)[*:1])C1
CN1CCO[C@H](CNC(=O)c2ccc(/C=C/C(=O)[O-])s2)C1 O=C([O-])[*:1] CN1CCO[C@H](CNC(=O)c2ccc(C=C[*:1])s2)C1
CN1CCO[C@H](CNC(=O)c2ccc(/C=C/C(=O)[O-])s2)C1 CN1CCO[C@H](C1)[*:1] O=C([O-])/C=C/c1ccc(s1)C(=O)NC[*:1]
Cc1cc(OCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)ccc1Cl Cc1cc(ccc1Cl)O[*:1] O=C(C[*:1])NNC(=S)NC(=O)c1sc2ccccc2c1Cl
Cc1cc(OCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C(CO[*:1])NNC(=S)NC(=O)c1sc2ccccc2c1Cl
Cc1noc(C)c1CN1C(=O)C(=O)N(CCc2cccs2)C1=O c1csc(c1)CC[*:1] Cc1noc(C)c1CN1C(=O)C(=O)N(C1=O)[*:1]
Cc1noc(C)c1CN1C(=O)C(=O)N(CCc2cccs2)C1=O c1csc(c1)[*:1] Cc1noc(C)c1CN1C(=O)C(=O)N(CC[*:1])C1=O
Cc1noc(C)c1CN1C(=O)C(=O)N(CCc2cccs2)C1=O c1csc(c1)C[*:1] Cc1noc(C)c1CN1C(=O)C(=O)N(C[*:1])C1=O
Cc1noc(C)c1CN1C(=O)C(=O)N(CCc2cccs2)C1=O Cc1noc(C)c1[*:1] O=C1C(=O)N(C[*:1])C(=O)N1CCc1cccs1
Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC(F)F)cc2)cc1 FC(F)[*:1] Cc1ccc(cc1)[C@@H](CC(=O)[O-])NC(=O)c1ccc(cc1)O[*:1]
Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC(F)F)cc2)cc1 FC(F)O[*:1] Cc1ccc(cc1)[C@@H](CC(=O)[O-])NC(=O)c1ccc(cc1)[*:1]
Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC(F)F)cc2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])C[C@@H](NC(=O)c1ccc(cc1)OC(F)F)[*:1]
Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC(F)F)cc2)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)[C@@H](NC(=O)c1ccc(cc1)OC(F)F)[*:1]
Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC(F)F)cc2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)[C@@H](C[*:1])NC(=O)c1ccc(cc1)OC(F)F
COc1ccc(OCCN2CCN(C(=O)c3ccc(Cl)cc3N3CCCC3=O)CC2)cc1 O=C1CCCN1[*:1] COc1ccc(cc1)OCCN1CCN(CC1)C(=O)c1ccc(Cl)cc1[*:1]
COc1ccc(OCCN2CCN(C(=O)c3ccc(Cl)cc3N3CCCC3=O)CC2)cc1 COc1ccc(cc1)O[*:1] O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCN(CC1)CC[*:1]
COc1ccc(OCCN2CCN(C(=O)c3ccc(Cl)cc3N3CCCC3=O)CC2)cc1 COc1ccc(cc1)OC[*:1] O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCN(CC1)C[*:1]
COc1ccc(OCCN2CCN(C(=O)c3ccc(Cl)cc3N3CCCC3=O)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCN(CCO[*:1])CC1
CCCNC(=O)CN(C)C(=O)CN1CC[C@H]([NH3+])[C@H](C)C1 CCC[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])CC(=O)N(C)CC(=O)N[*:1]
CCCNC(=O)CN(C)C(=O)CN1CC[C@H]([NH3+])[C@H](C)C1 CCCNC(=O)[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])CC(=O)N(C)C[*:1]
NC(=O)COc1ccc(NC(=O)c2nccn3ccnc23)cc1 NC(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1nccn2ccnc12
NC(=O)COc1ccc(NC(=O)c2nccn3ccnc23)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1nccn2ccnc12
NC(=O)COc1ccc(NC(=O)c2nccn3ccnc23)cc1 NC(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1nccn2ccnc12
COc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc4c(c3)OCO4)S2)cc1 COc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](S/C1=N\c1ccc2OCOc2c1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc4c(c3)OCO4)S2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C)C(=N[*:1])S1
C[NH+](C)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(NN)c2)C1 O=[N+]([O-])[*:1] C[NH+](C)[C@H]1CCN(Cc2ccc(c(c2)NN)[*:1])C1
CCCCCCNC(=O)c1c([O-])n2c3c(cccc3c1=O)CCC2 CCCCC[*:1] O=C(NC[*:1])c1c([O-])n2CCCc3cccc(c1=O)c32
CCCCCCNC(=O)c1c([O-])n2c3c(cccc3c1=O)CCC2 CCCCCC[*:1] O=C(N[*:1])c1c([O-])n2CCCc3cccc(c1=O)c32
CCCCCCNC(=O)c1c([O-])n2c3c(cccc3c1=O)CCC2 CCC[*:1] O=C(NCCC[*:1])c1c([O-])n2CCCc3cccc(c1=O)c32
CCCCCCNC(=O)c1c([O-])n2c3c(cccc3c1=O)CCC2 CCCC[*:1] O=C(NCC[*:1])c1c([O-])n2CCCc3cccc(c1=O)c32
O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2ccc3cnsc3c2)C1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccc2cnsc2c1
O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2ccc3cnsc3c2)C1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1ccc2cnsc2c1
CN(c1ccc(C(=O)[O-])cc1)S(C)(=O)=O O=C([O-])[*:1] CN(c1ccc(cc1)[*:1])S(C)(=O)=O
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccc(C)o1 Cc1ccc(o1)[C@H](C)[*:1] CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccc(C)o1 Cc1ccc(o1)[*:1] CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccc(C)o1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@H](NC(=O)[*:1])C(=O)N[C@@H](C)c1ccc(C)o1
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccc(C)o1 CC[C@@H](C)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)[*:1]
COc1ccc(/C=N/N=C2\NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)S2)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(/C=N/N=C2\NC(=O)/C(=C\c3cc(ccc3O)[*:1])S2)c(c1)OC
COc1ccc(/C=N/N=C2\NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)S2)c(OC)c1 O=[N+]([O-])c1ccc(O)c(c1)[*:1] COc1ccc(/C=N/N=C2\NC(=O)C(=C[*:1])S2)c(c1)OC
COc1ccc(/C=N/N=C2\NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)S2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C1N/C(=N\N=C[*:1])S/C1=C/c1cc(ccc1O)[N+](=O)[O-]
O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1
O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1
CCn1cnc2sc(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+](C)C)c(C)c2c1=O Clc1cccc(c1)[*:1] CCn1cnc2sc(C(=O)NC[C@H]([NH+](C)C)[*:1])c(C)c2c1=O
CCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1 CCC(=O)N[*:1] O=C(CSc1nc2ccccc2[nH]1)c1ccc(cc1)[*:1]
CN(Cc1ccsc1)C(=O)CCc1ccsc1 c1cc(cs1)[*:1] CN(C[*:1])C(=O)CCc1ccsc1
CN(Cc1ccsc1)C(=O)CCc1ccsc1 c1cc(cs1)[*:1] CN(Cc1ccsc1)C(=O)CC[*:1]
C=CCN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O C=CC[*:1] CC[C@@]1(NC(=O)N(C1=O)[*:1])c1ccc(Cl)cc1
C=CCc1ccccc1OC(C)=O CC(=O)O[*:1] C=CCc1ccccc1[*:1]
C=CCc1ccccc1OC(C)=O C=CC[*:1] CC(=O)Oc1ccccc1[*:1]
CCS(=O)(=O)c1cccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)c1 CCS(=O)(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@H]2CCC[C@H]21
O=C1Nc2ccccc2O[C@H]1CC(=O)N(CCc1cccs1)Cc1cccs1 c1csc(c1)CC[*:1] O=C1Nc2ccccc2O[C@H]1CC(=O)N(Cc1cccs1)[*:1]
O=C1Nc2ccccc2O[C@H]1CC(=O)N(CCc1cccs1)Cc1cccs1 c1csc(c1)C[*:1] O=C1Nc2ccccc2O[C@H]1CC(=O)N(Cc1cccs1)C[*:1]
O=C1Nc2ccccc2O[C@H]1CC(=O)N(CCc1cccs1)Cc1cccs1 c1csc(c1)[*:1] O=C1Nc2ccccc2O[C@H]1CC(=O)N(CCc1cccs1)C[*:1]
O=C1Nc2ccccc2O[C@H]1CC(=O)N(CCc1cccs1)Cc1cccs1 c1csc(c1)C[*:1] O=C1Nc2ccccc2O[C@H]1CC(=O)N(CCc1cccs1)[*:1]
O=C1Nc2ccccc2O[C@H]1CC(=O)N(CCc1cccs1)Cc1cccs1 c1csc(c1)[*:1] O=C1Nc2ccccc2O[C@H]1CC(=O)N(CC[*:1])Cc1cccs1
Cc1cc(C)c(NC(=O)Cn2c(-c3cccnc3)noc2=O)c(C)c1 c1cncc(c1)[*:1] Cc1cc(C)c(NC(=O)Cn2c(noc2=O)[*:1])c(C)c1
CCOC(=O)[C@](C)(O)[C@@H]1CCCC(C)(C)C1 CCOC(=O)[*:1] CC1(C)CCC[C@H](C1)[C@](C)(O)[*:1]
Cc1ccc(C2=NN(C(=O)CN3CCN(c4cccc[nH+]4)CC3)[C@H](c3ccco3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)c1cccc[nH+]1)N1N=C(C[C@H]1c1ccco1)[*:1]
Cc1ccc(C2=NN(C(=O)CN3CCN(c4cccc[nH+]4)CC3)[C@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)CN1CCN(CC1)c1cccc[nH+]1)[*:1]
Cc1ccccc1CNC(=O)c1nc(N2CCCCCC2)c2oc3ccccc3c2n1 C1CCCN(CC1)[*:1] Cc1ccccc1CNC(=O)c1nc(c2oc3ccccc3c2n1)[*:1]
Cc1ccccc1CNC(=O)c1nc(N2CCCCCC2)c2oc3ccccc3c2n1 Cc1ccccc1[*:1] O=C(NC[*:1])c1nc(c2oc3ccccc3c2n1)N1CCCCCC1
Cc1ccccc1CNC(=O)c1nc(N2CCCCCC2)c2oc3ccccc3c2n1 Cc1ccccc1C[*:1] O=C(N[*:1])c1nc(c2oc3ccccc3c2n1)N1CCCCCC1
O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl)C1CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1])C1CC1
O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl)C1CC1 C1CC1[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl)[*:1]
N#Cc1cc(F)c(N2CCN(C(=O)c3ccc(F)c([N+](=O)[O-])c3)CC2)cc1Cl O=[N+]([O-])[*:1] N#Cc1cc(F)c(cc1Cl)N1CCN(CC1)C(=O)c1ccc(F)c(c1)[*:1]
CCCn1c(=O)/c(=C/c2ccc(C)s2)s/c1=C(\C#N)C(=O)C(C)C CC(C)C(=O)[*:1] CCCn1c(=O)/c(=C/c2ccc(C)s2)sc1=C(C#N)[*:1]
CCCn1c(=O)/c(=C/c2ccc(C)s2)s/c1=C(\C#N)C(=O)C(C)C CC(C)[*:1] CCCn1c(=O)/c(=C/c2ccc(C)s2)s/c1=C(\C#N)C(=O)[*:1]
CCCn1c(=O)/c(=C/c2ccc(C)s2)s/c1=C(\C#N)C(=O)C(C)C CCC[*:1] Cc1ccc(/C=c2\s/c(=C(\C#N)C(=O)C(C)C)n(c2=O)[*:1])s1
CCCn1c(=O)/c(=C/c2ccc(C)s2)s/c1=C(\C#N)C(=O)C(C)C Cc1ccc(s1)[*:1] CCCn1c(=O)c(=C[*:1])s/c1=C(\C#N)C(=O)C(C)C
COc1c(C)cnc(CNC(=O)CCS(=O)(=O)C2CCCC2)c1C C1CCC(C1)[*:1] COc1c(C)cnc(CNC(=O)CCS(=O)(=O)[*:1])c1C
COc1c(C)cnc(CNC(=O)CCS(=O)(=O)C2CCCC2)c1C O=S(=O)(C1CCCC1)[*:1] COc1c(C)cnc(CNC(=O)CC[*:1])c1C
Cc1ccc(OC(=O)CN(C)C(=O)c2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cc1ccc(OC(=O)CN(C)C(=O)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(OC(=O)CN(C)C(=O)c2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OC(=O)CN(C)C(=O)c2ccccc2)c(c1)[*:1]
COc1cc(CN(C)S(=O)(=O)CC2CCC2)ccc1O C1CC(C1)C[*:1] COc1cc(ccc1O)CN(C)S(=O)(=O)[*:1]
COc1cc(CN(C)S(=O)(=O)CC2CCC2)ccc1O C1CC(C1)[*:1] COc1cc(ccc1O)CN(C)S(=O)(=O)C[*:1]
CNC(=O)c1ccccc1COc1ccccc1 c1ccc(cc1)[*:1] CNC(=O)c1ccccc1CO[*:1]
CNC(=O)c1ccccc1COc1ccccc1 CNC(=O)[*:1] c1ccc(cc1)OCc1ccccc1[*:1]
CC1(C)CCCN1C(=O)NCC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC1(C)CCCN1C(=O)NCC1(CC1)[*:1]
CC[C@@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccc(C)cc1)C2=O Cc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)c1cc2C(=O)N(CCCn2n1)C[*:1]
CC[C@@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccc(C)cc1)C2=O CC[C@@H](C)[*:1] Cc1ccc(cc1)CN1CCCn2nc(cc2C1=O)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccc(C)cc1)C2=O CC[C@@H](C)NC(=O)[*:1] Cc1ccc(cc1)CN1CCCn2nc(cc2C1=O)[*:1]
CC[C@@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccc(C)cc1)C2=O Cc1ccc(cc1)C[*:1] CC[C@@H](C)NC(=O)c1cc2C(=O)N(CCCn2n1)[*:1]
CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1Cl CCN(CC)C(=O)[*:1] O=C(Nc1ccc(F)cc1Cl)N1CCC[C@@H]1[*:1]
CC[C@](C)([C@H]([NH3+])Cc1c(Cl)c(C)nn1C)N(C)C CN(C)[*:1] CC[C@](C)([C@H]([NH3+])Cc1c(Cl)c(C)nn1C)[*:1]
O=S(=O)(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccccc1F Fc1ccccc1[*:1] O=S(=O)(c1cccnc1)N1CCC(CC1)CNS(=O)(=O)[*:1]
O=S(=O)(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccccc1F c1cncc(c1)[*:1] O=S(=O)(NCC1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1F
N#Cc1ccc(NC(=O)COC(=O)COc2ccccc2C#N)cc1 N#Cc1ccccc1[*:1] N#Cc1ccc(cc1)NC(=O)COC(=O)CO[*:1]
N#Cc1ccc(NC(=O)COC(=O)COc2ccccc2C#N)cc1 N#Cc1ccc(cc1)[*:1] N#Cc1ccccc1OCC(=O)OCC(=O)N[*:1]
Cn1cc(C[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cn1 Cn1cc(cn1)C[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](C1)[*:1]
Cn1cc(C[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cn1 Clc1ccc(cc1)[*:1] Cn1cc(cn1)C[C@H]1CCN(C1)S(=O)(=O)[*:1]
Cn1cc(C[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](C1)C[*:1]
Cc1nc(C(C)C)sc1C(=O)NCc1ccc(OC(F)(F)F)cc1 CC(C)[*:1] Cc1nc(sc1C(=O)NCc1ccc(cc1)OC(F)(F)F)[*:1]
Cc1nc(C(C)C)sc1C(=O)NCc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] Cc1nc(sc1C(=O)NCc1ccc(cc1)O[*:1])C(C)C
Cc1nc(C(C)C)sc1C(=O)NCc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] Cc1nc(sc1C(=O)NCc1ccc(cc1)[*:1])C(C)C
CSC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 CSC[*:1] C[C@H](C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1)[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)N(C(C)C)C1CCC1)C2 C1CC(C1)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N(C(C)C)[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)N(C(C)C)C1CCC1)C2 CC(C)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N(C1CCC1)[*:1]
COC(=O)c1[nH]c(C)cc1NC(=O)c1ccc(-n2nc(C)nc2C)cc1 COC(=O)[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)Nc1cc(C)[nH]c1[*:1]
COC(=O)c1[nH]c(C)cc1NC(=O)c1ccc(-n2nc(C)nc2C)cc1 Cc1nc(C)n(n1)[*:1] COC(=O)c1[nH]c(C)cc1NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCN(C)c1ccccc1 CN(C[*:1])c1ccccc1 Cc1ccc(cc1C(=O)NC[*:1])S(=O)(=O)N1CCN(C)CC1
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCN(C)c1ccccc1 CN(CC[*:1])c1ccccc1 Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)N1CCN(C)CC1
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCN(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)NCCN(C)[*:1])S(=O)(=O)N1CCN(C)CC1
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCN(C)c1ccccc1 CN1CCN(CC1)S(=O)(=O)[*:1] Cc1ccc(cc1C(=O)NCCN(C)c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCN(C)c1ccccc1 CN(c1ccccc1)[*:1] Cc1ccc(cc1C(=O)NCC[*:1])S(=O)(=O)N1CCN(C)CC1
Cc1onc(-c2ccccc2Cl)c1C(=O)NCCC1[NH+]=c2ccccc2=[NH+]1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)NCCC1[NH+]=c2ccccc2=[NH+]1)[*:1]
c1ccc2oc(-c3nnc(-c4ccncc4)o3)cc2c1 c1cc(ccn1)[*:1] c1ccc2oc(cc2c1)-c1nnc(o1)[*:1]
Cc1cccc(OCC(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)c1 CC(C)(C)[*:1] Cc1cccc(c1)OCC(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
Cc1cccc(OCC(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)c1 Cc1cccc(c1)[*:1] CC(C)(C)n1nc2CS(=O)(=O)Cc2c1NC(=O)CO[*:1]
Cc1cccc(OCC(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)c1 Cc1cccc(c1)O[*:1] CC(C)(C)n1nc2CS(=O)(=O)Cc2c1NC(=O)C[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cccc(N3CCCNC3=O)c2)CC1 O=C1NCCCN1[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CCOc1cccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)c1 CCO[*:1] c1cc(cc(c1)[*:1])-c1nn2c(C[NH+]3CCCCCC3)nnc2s1
CC(C)(C)CC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 CC(C)(C)CC(=O)N[*:1] O=S1(=O)Cc2nn(-c3ccc(Cl)cc3)c(c2C1)[*:1]
CC(C)(C)CC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 Clc1ccc(cc1)[*:1] CC(C)(C)CC(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
CC(C)(C)CC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 CC(C)(C)[*:1] O=C(C[*:1])Nc1c2CS(=O)(=O)Cc2nn1-c1ccc(Cl)cc1
CC(C)(C)CC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 CC(C)(C)C[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1-c1ccc(Cl)cc1)[*:1]
Cc1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(N/N=C/c1ccc(Cl)cc1Cl)[*:1]
O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)o1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1N1CCN(CC1)C(=O)[*:1])c1ccc(Br)o1
O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)o1 O=C(N[*:1])c1ccc(Br)o1 O=C(c1ccccc1)N1CCN(CC1)c1ccccc1[*:1]
O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(c1ccccc1)N1CCN(CC1)c1ccccc1NC(=O)[*:1]
CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2nc(-c3cccs3)oc2C)C1 c1csc(c1)[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C(=O)Cc1nc(oc1C)[*:1]
CCOC(=O)[C@]1([NH2+]C(C)C)CCC[C@H](n2cncn2)C1 c1ncn(n1)[*:1] CCOC(=O)[C@@]1(CCC[C@H](C1)[*:1])[NH2+]C(C)C
CCOC(=O)[C@]1([NH2+]C(C)C)CCC[C@H](n2cncn2)C1 CC(C)[*:1] CCOC(=O)[C@@]1(CCC[C@@H](C1)n1cncn1)[NH2+][*:1]
CCOC(=O)[C@]1([NH2+]C(C)C)CCC[C@H](n2cncn2)C1 CCOC(=O)[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H](C1)n1cncn1)[*:1]
Cc1cccc(Nc2ncnc(N(CCC#N)CCC#N)c2N)c1 Cc1cccc(c1)[*:1] N#CCCN(CCC#N)c1ncnc(N[*:1])c1N
Cc1cccc(Nc2ncnc(N(CCC#N)CCC#N)c2N)c1 N#CCC[*:1] Cc1cccc(c1)Nc1ncnc(c1N)N(CCC#N)[*:1]
Cc1cccc(Nc2ncnc(N(CCC#N)CCC#N)c2N)c1 Cc1cccc(c1)N[*:1] N#CCCN(CCC#N)c1ncnc(c1N)[*:1]
Cc1cccc(Nc2ncnc(N(CCC#N)CCC#N)c2N)c1 N#CC[*:1] Cc1cccc(c1)Nc1ncnc(c1N)N(CCC#N)C[*:1]
COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)[NH2+]CC2 Fc1cccc(c1)[*:1] COc1cc2CC[NH2+][C@@H](c2cc1OC)[*:1]
C[NH2+][C@H](Cc1csc(C)n1)[C@H]1CCO[C@]2(CCSC2)C1 Cc1nc(cs1)[*:1] C[NH2+][C@H](C[*:1])[C@H]1CCO[C@]2(CCSC2)C1
CCCCn1c(SCC(=O)N(C)C2CCCCC2)nc2cc(C)[nH]c2c1=O CCC[*:1] Cc1cc2nc(SCC(=O)N(C)C3CCCCC3)n(C[*:1])c(=O)c2[nH]1
CCCCn1c(SCC(=O)N(C)C2CCCCC2)nc2cc(C)[nH]c2c1=O C1CCC(CC1)[*:1] CCCCn1c(nc2cc(C)[nH]c2c1=O)SCC(=O)N(C)[*:1]
CCCCn1c(SCC(=O)N(C)C2CCCCC2)nc2cc(C)[nH]c2c1=O CCCC[*:1] Cc1cc2nc(SCC(=O)N(C)C3CCCCC3)n(c(=O)c2[nH]1)[*:1]
CCC[C@H]1CCC[C@]2(CC1)C[NH+]=C(N)N2C1CC1 C1CC1[*:1] CCC[C@H]1CCC[C@]2(CC1)C[NH+]=C(N)N2[*:1]
CCC[C@H]1CCC[C@]2(CC1)C[NH+]=C(N)N2C1CC1 CCC[*:1] NC1=[NH+]C[C@@]2(CCC[C@@H](CC2)[*:1])N1C1CC1
COc1ccc(N)cc1-c1n[nH]c(C(C)C)n1 CC(C)[*:1] COc1ccc(N)cc1-c1n[nH]c(n1)[*:1]
O=C(Nc1ccccc1F)N1CC[C@H](C[NH+]2CCCCC2)C1 Fc1ccccc1[*:1] O=C(N[*:1])N1CC[C@@H](C1)C[NH+]1CCCCC1
O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)[C@@H]1CC12CCOCC2 FC(F)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)[*:1])[C@@H]1CC12CCOCC2
O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)[C@@H]1CC12CCOCC2 O=S(=O)(C(F)F)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CC12CCOCC2
Cc1nc2ccc(N(C)CCCN3C(=O)CNC3=O)cc2s1 O=C1CNC(=O)N1[*:1] Cc1nc2ccc(cc2s1)N(C)CCC[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C C1CC1[*:1] CNC(=O)[C@H](C)CN(C)C(=O)c1cc(nc2c1c(C)nn2C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C CNC(=O)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(C)C[C@@H](C)[*:1])c12)C1CC1
O=C(NCc1cc(=O)n2nc(-c3ccccc3Cl)sc2n1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NCc1cc(=O)n2nc(sc2n1)-c1ccccc1Cl)[*:1]
O=C(NCc1cc(=O)n2nc(-c3ccccc3Cl)sc2n1)C1CCCCC1 Clc1ccccc1[*:1] O=C(NCc1cc(=O)n2nc(sc2n1)[*:1])C1CCCCC1
O=C(NCc1cc(=O)n2nc(-c3ccccc3Cl)sc2n1)C1CCCCC1 O=C(N[*:1])C1CCCCC1 O=c1cc(C[*:1])nc2sc(nn12)-c1ccccc1Cl
Cc1noc(C)c1CNc1oc(-c2ccco2)nc1C#N Cc1noc(C)c1[*:1] N#Cc1nc(oc1NC[*:1])-c1ccco1
Cc1noc(C)c1CNc1oc(-c2ccco2)nc1C#N c1coc(c1)[*:1] Cc1noc(C)c1CNc1oc(nc1C#N)[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(C#N)cc1 Clc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)S(=O)(=O)c1ccc(C#N)cc1
O=C(c1ccncc1Cl)N1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(c1ccncc1Cl)N1CCN(CC1)C(=O)[*:1]
Cc1ccc2ncnc(N[C@H]3CC(=O)N(C(C)C)C3=O)c2c1 CC(C)[*:1] Cc1ccc2ncnc(N[C@H]3CC(=O)N(C3=O)[*:1])c2c1
Cc1oncc1C(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 C1CCC(CC1)[*:1] Cc1oncc1C(=O)NCc1cc2C[NH+](CCCn2n1)[*:1]
Cc1oncc1C(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 Cc1oncc1[*:1] O=C(NCc1cc2C[NH+](CCCn2n1)C1CCCCC1)[*:1]
O=C(Cc1ccsc1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 c1cc(cs1)[*:1] O=C(C[*:1])N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1
O=C(Cc1ccsc1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 c1cc(cs1)C[*:1] O=C(N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1)[*:1]
O=C(Cc1ccsc1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Cc1ccsc1)N1CCC[C@@H](CNS(=O)(=O)[*:1])C1
O=C(Cc1ccsc1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Cc1ccsc1)N1CCC[C@@H](CNS(=O)(=O)C[*:1])C1
COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1CC(=O)Nc1ccc(F)cc1)n2C Fc1ccc(cc1)[*:1] COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1CC(=O)N[*:1])n2C
COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1CC(=O)Nc1ccc(F)cc1)n2C O=C(Nc1ccc(F)cc1)[*:1] COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1C[*:1])n2C
COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1CC(=O)Nc1ccc(F)cc1)n2C Cc1cccc(c1)[*:1] COc1ccc2c(c1)c1c(c(=O)n(c(=O)n1CC(=O)Nc1ccc(F)cc1)[*:1])n2C
COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1CC(=O)Nc1ccc(F)cc1)n2C O=C(C[*:1])Nc1ccc(F)cc1 COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1[*:1])n2C
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2COc2ccccc2)c2ncccc2c1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CO[*:1])c2ncccc2c1
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2COc2ccccc2)c2ncccc2c1 c1ccc(cc1)O[*:1] Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[*:1])c2ncccc2c1
Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2COc2ccccc2)c2ncccc2c1 c1ccc(cc1)OC[*:1] Cc1cc(NC(=O)C(=O)N2CCC[C@H]2[*:1])c2ncccc2c1
O=C(Nc1ncccc1Br)c1ccc([N+](=O)[O-])c(O)c1 O=[N+]([O-])[*:1] O=C(Nc1ncccc1Br)c1ccc(c(O)c1)[*:1]
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)[N-]S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)[*:1]
CC1=C[C@H](NC(=O)CS[C@@H]2Nc3ccccc3C(=O)N2NS(=O)(=O)c2ccc(C)cc2)N=N1 Cc1ccc(cc1)[*:1] CC1=C[C@@H](N=N1)NC(=O)CS[C@@H]1Nc2ccccc2C(=O)N1NS(=O)(=O)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)[C@@H](C)Sc1ccccc1 c1coc(c1)[*:1] C[C@@H](N(C)C(=O)[C@@H](C)Sc1ccccc1)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)[C@@H](C)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](c1ccco1)N(C)C(=O)[C@@H](C)S[*:1]
CCc1noc(CC)c1CNC(=O)N[C@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CCc1noc(CC)c1CNC(=O)N[C@H]1C[C@H]1[*:1]
CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(OCc2c(C)noc2C)cc1 Cc1noc(C)c1C[*:1] CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(cc1)O[*:1]
CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(OCc2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(cc1)OC[*:1]
CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(OCc2c(C)noc2C)cc1 Cc1noc(C)c1CO[*:1] CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(cc1)[*:1]
C[C@H](c1ccccc1Cl)N(C)C(=O)Nn1cnc2ccccc21 Clc1ccccc1[*:1] C[C@H](N(C)C(=O)Nn1cnc2ccccc21)[*:1]
CN(CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)c1ccccc1 CN(c1ccccc1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[*:1]
CN(CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)c1ccccc1 NC(=O)[*:1] CN(CC(=O)N1Cc2ccccc2C[C@@H]1[*:1])c1ccccc1
CN(CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)[*:1]
C[C@@H](NC(=O)Nc1ncnn1C)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@@H](NC(=O)Nc1ncnn1C)c1cccc(c1)[*:1]
C[C@@H](NC(=O)Nc1ncnn1C)c1cccc(-n2cccn2)c1 Cn1ncnc1[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(c1)-n1cccn1
Cc1cccc2c(=O)n(Cc3ncoc3C(C)C)cnc12 CC(C)[*:1] Cc1cccc2c(=O)n(cnc12)Cc1ncoc1[*:1]
CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(F)cc2O)cc1 Oc1cc(F)ccc1[*:1] CC[C@@H](CO)NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
O=C(/C=C/c1cccc(Cl)c1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 Clc1cccc(c1)[*:1] O=C(C=C[*:1])N[C@H](c1ccc2OCCOc2c1)C1CC1
O=C(/C=C/c1cccc(Cl)c1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] O=C(/C=C/c1cccc(Cl)c1)N[C@H](c1ccc2OCCOc2c1)[*:1]
C[C@H](CS)COC1CCOCC1 C[C@H](CS)[*:1] C1CC(CCO1)OC[*:1]
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)ccc1Br O=[N+]([O-])[*:1] Cc1ccc(cc1NS(=O)(=O)c1cc(Br)ccc1Br)[*:1]
Cc1cc(C)cc(OC(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)OC(=O)[C@H](C)S(=O)(=O)[*:1]
CCOc1ccc(N2C(=O)N(Cc3ccc(F)cc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)cc1 Fc1ccc(c(Cl)c1)[*:1] CCOc1ccc(cc1)N1C(=O)N(C[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CCOc1ccc(N2C(=O)N(Cc3ccc(F)cc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)cc1 Fc1ccc(C[*:1])c(Cl)c1 CCOc1ccc(cc1)N1C(=O)N([C@H]2CS(=O)(=O)C[C@H]21)[*:1]
CCOc1ccc(N2C(=O)N(Cc3ccc(F)cc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)cc1 CCO[*:1] O=C1N(c2ccc(cc2)[*:1])[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1Cl
CCOc1ccc(N2C(=O)N(Cc3ccc(F)cc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)cc1 CCOc1ccc(cc1)[*:1] O=C1N(Cc2ccc(F)cc2Cl)[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1cc(C)cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
CC1(C)CC2=C3C(=O)N(CCCO)C(=O)N=C3S[C@H]2CO1 OCCC[*:1] CC1(C)CC2=C3C(=O)N(C(=O)N=C3S[C@H]2CO1)[*:1]
CC1(C)CC2=C3C(=O)N(CCCO)C(=O)N=C3S[C@H]2CO1 OCC[*:1] CC1(C)CC2=C3C(=O)N(C[*:1])C(=O)N=C3S[C@H]2CO1
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C)cc1 CC(C)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(cc1)S(=O)(=O)N(C)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C)cc1 CC(C)N(C)S(=O)(=O)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(cc1)[*:1]
O=C([O-])c1cc2ncoc2cn1 O=C([O-])[*:1] c1nc2cc(ncc2o1)[*:1]
CC(=O)c1cnc(NC[C@@H]2OCCc3ccccc32)nc1C CC(=O)[*:1] Cc1nc(ncc1[*:1])NC[C@@H]1OCCc2ccccc21
Cc1cc(C)cc(CSC[C@@H](C)CCl)c1 C[C@@H](CCl)[*:1] Cc1cc(C)cc(c1)CSC[*:1]
Cc1cc(C)cc(CSC[C@@H](C)CCl)c1 C[C@@H](CCl)C[*:1] Cc1cc(C)cc(c1)CS[*:1]
[NH3+]CCn1nc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)c2cccnc21 Clc1cccc(c1)[*:1] [NH3+]CCn1nc(c2cccnc21)[C@@H]1CCN(C1)C(=O)CC[*:1]
[NH3+]CCn1nc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)c2cccnc21 Clc1cccc(c1)C[*:1] [NH3+]CCn1nc(c2cccnc21)[C@@H]1CCN(C1)C(=O)C[*:1]
[NH3+]CCn1nc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)c2cccnc21 Clc1cccc(c1)CC[*:1] [NH3+]CCn1nc(c2cccnc21)[C@@H]1CCN(C1)C(=O)[*:1]
O=C(Nc1n[nH]c(-c2cccs2)n1)c1cccs1 c1csc(c1)[*:1] O=C(Nc1n[nH]c(n1)[*:1])c1cccs1
O=C(Nc1n[nH]c(-c2cccs2)n1)c1cccs1 c1csc(c1)[*:1] O=C(Nc1n[nH]c(n1)-c1cccs1)[*:1]
COCCN1C[C@@H](C(=O)NCc2cnn(C(C)C)c2)CCC1=O COC[*:1] CC(C)n1cc(cn1)CNC(=O)[C@H]1CCC(=O)N(C1)C[*:1]
COCCN1C[C@@H](C(=O)NCc2cnn(C(C)C)c2)CCC1=O CC(C)[*:1] COCCN1C[C@H](CCC1=O)C(=O)NCc1cnn(c1)[*:1]
COCCN1C[C@@H](C(=O)NCc2cnn(C(C)C)c2)CCC1=O COCC[*:1] CC(C)n1cc(cn1)CNC(=O)[C@H]1CCC(=O)N(C1)[*:1]
O=C1OCC[C@@H]1Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 O=S(=O)(N1CCCCC1)[*:1] O=C1OCC[C@@H]1Sc1nnc(o1)-c1cccc(c1)[*:1]
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)cc1OC Cc1ccccc1NC(=O)[*:1] COc1ccc(cc1OC)[C@@H]1C(=C(C)Nc2nnnn21)[*:1]
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)cc1OC COc1ccc(cc1OC)[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)Nc1ccccc1C)[*:1]
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)cc1OC Cc1ccccc1[*:1] COc1ccc(cc1OC)[C@@H]1C(C(=O)N[*:1])=C(C)Nc2nnnn21
CCn1/c(=N/C(=O)c2ccc(C)nc2)[nH]c2cc(Br)ccc21 Cc1ccc(cn1)[*:1] CCn1/c(=N/C(=O)[*:1])[nH]c2cc(Br)ccc21
O=C(NCCc1cccc(F)c1)[C@@H]1CCCCN1C(=O)c1ccccc1 Fc1cccc(c1)C[*:1] O=C(NC[*:1])[C@@H]1CCCCN1C(=O)c1ccccc1
O=C(NCCc1cccc(F)c1)[C@@H]1CCCCN1C(=O)c1ccccc1 Fc1cccc(c1)[*:1] O=C(NCC[*:1])[C@@H]1CCCCN1C(=O)c1ccccc1
O=C(NCCc1cccc(F)c1)[C@@H]1CCCCN1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1cccc(F)c1)[C@@H]1CCCCN1C(=O)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CCS(=O)(=O)C1 Clc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1C[NH2+][C@H]1CCS(=O)(=O)C1
Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CCS(=O)(=O)C1 Clc1ccccc1C[*:1] Cc1nn(c(C)c1C[NH2+][C@H]1CCS(=O)(=O)C1)[*:1]
Cn1ncc2c(C(=O)Nc3ccc(Br)cc3F)cc(-c3ccccc3)nc21 Fc1cc(Br)ccc1[*:1] Cn1ncc2c(cc(nc21)-c1ccccc1)C(=O)N[*:1]
Cn1ncc2c(C(=O)Nc3ccc(Br)cc3F)cc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] Cn1ncc2c(cc(nc21)[*:1])C(=O)Nc1ccc(Br)cc1F
Cc1nccn1-c1ccc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cn1 CC(C)C[*:1] Cc1nccn1-c1ccc(cn1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1nccn1-c1ccc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cn1 CC(C)[*:1] Cc1nccn1-c1ccc(cn1)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1nccn1-c1ccc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cn1 Cc1nccn1[*:1] CC(C)CN1C[C@@H](CC1=O)C(=O)Nc1ccc(nc1)[*:1]
C[C@@H](C1CC1)N(C(=O)c1ccc(N(C)C)c(F)c1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)c1ccc(c(F)c1)N(C)C)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)c1ccc(N(C)C)c(F)c1)C1CC1 CN(C)[*:1] C[C@@H](C1CC1)N(C(=O)c1ccc(c(F)c1)[*:1])C1CC1
C[C@@H](C1CC1)N(C(=O)c1ccc(N(C)C)c(F)c1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)c1ccc(c(F)c1)N(C)C)[*:1]
C[C@@H](C1CC1)N(C(=O)c1ccc(N(C)C)c(F)c1)C1CC1 C[C@@H](C1CC1)[*:1] CN(C)c1ccc(cc1F)C(=O)N(C1CC1)[*:1]
Cc1noc(C)c1CO[C@H]1CN(Cc2cccnc2)CC(=O)N(CC(C)C)C1 Cc1noc(C)c1C[*:1] CC(C)CN1C[C@H](CN(CC1=O)Cc1cccnc1)O[*:1]
Cc1noc(C)c1CO[C@H]1CN(Cc2cccnc2)CC(=O)N(CC(C)C)C1 Cc1noc(C)c1[*:1] CC(C)CN1C[C@H](CN(CC1=O)Cc1cccnc1)OC[*:1]
Cc1noc(C)c1CO[C@H]1CN(Cc2cccnc2)CC(=O)N(CC(C)C)C1 Cc1noc(C)c1CO[*:1] CC(C)CN1C[C@H](CN(CC1=O)Cc1cccnc1)[*:1]
Cc1noc(C)c1CO[C@H]1CN(Cc2cccnc2)CC(=O)N(CC(C)C)C1 c1cncc(c1)[*:1] Cc1noc(C)c1CO[C@H]1CN(CC(=O)N(CC(C)C)C1)C[*:1]
Cc1noc(C)c1CO[C@H]1CN(Cc2cccnc2)CC(=O)N(CC(C)C)C1 CC(C)[*:1] Cc1noc(C)c1CO[C@H]1CN(CC(=O)N(C1)C[*:1])Cc1cccnc1
Cc1noc(C)c1CO[C@H]1CN(Cc2cccnc2)CC(=O)N(CC(C)C)C1 c1cncc(c1)C[*:1] Cc1noc(C)c1CO[C@@H]1CN(CC(C)C)C(=O)CN(C1)[*:1]
Cc1noc(C)c1CO[C@H]1CN(Cc2cccnc2)CC(=O)N(CC(C)C)C1 CC(C)C[*:1] Cc1noc(C)c1CO[C@H]1CN(CC(=O)N(C1)[*:1])Cc1cccnc1
O=C(C/C=C/c1ccc(F)cc1)Nc1c(F)cccc1N1CCCC1 C1CCN(C1)[*:1] O=C(C/C=C/c1ccc(F)cc1)Nc1c(F)cccc1[*:1]
O=C(C/C=C/c1ccc(F)cc1)Nc1c(F)cccc1N1CCCC1 Fc1ccc(cc1)[*:1] O=C(CC=C[*:1])Nc1c(F)cccc1N1CCCC1
C[C@H]([NH2+]Cc1cccc(OCC#N)c1)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1cccc(c1)OCC#N)[C@@H](C)[*:1]
C[C@H]([NH2+]Cc1cccc(OCC#N)c1)[C@@H](C)c1ccccc1 N#CCO[*:1] C[C@H]([NH2+]Cc1cccc(c1)[*:1])[C@@H](C)c1ccccc1
C[C@H]([NH2+]Cc1cccc(OCC#N)c1)[C@@H](C)c1ccccc1 N#CC[*:1] C[C@H]([NH2+]Cc1cccc(c1)O[*:1])[C@@H](C)c1ccccc1
CC(C)Oc1ccc2c(C(=O)NCC(=O)N3CCCC3)cc(=O)oc2c1 CC(C)[*:1] O=C(NCC(=O)N1CCCC1)c1cc(=O)oc2cc(ccc12)O[*:1]
CC(C)Oc1ccc2c(C(=O)NCC(=O)N3CCCC3)cc(=O)oc2c1 O=C(C[*:1])N1CCCC1 CC(C)Oc1ccc2c(cc(=O)oc2c1)C(=O)N[*:1]
CC(C)Oc1ccc2c(C(=O)NCC(=O)N3CCCC3)cc(=O)oc2c1 O=C(N1CCCC1)[*:1] CC(C)Oc1ccc2c(cc(=O)oc2c1)C(=O)NC[*:1]
CC(C)Oc1ccc2c(C(=O)NCC(=O)N3CCCC3)cc(=O)oc2c1 CC(C)O[*:1] O=C(NCC(=O)N1CCCC1)c1cc(=O)oc2cc(ccc12)[*:1]
Cc1nc([C@@H]2C[NH+]3CCN2CC3)sc1C[NH2+]C(C)(C)C CC(C)(C)[NH2+]C[*:1] Cc1nc(sc1[*:1])[C@@H]1C[NH+]2CCN1CC2
Cc1nc([C@@H]2C[NH+]3CCN2CC3)sc1C[NH2+]C(C)(C)C CC(C)(C)[NH2+][*:1] Cc1nc(sc1C[*:1])[C@@H]1C[NH+]2CCN1CC2
Cc1nc([C@@H]2C[NH+]3CCN2CC3)sc1C[NH2+]C(C)(C)C CC(C)(C)[*:1] Cc1nc(sc1C[NH2+][*:1])[C@@H]1C[NH+]2CCN1CC2
CC(C)C[C@](C)([NH2+]Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C)C(N)=O CC(C)[*:1] Cn1c(=O)c2[nH]c(C[NH2+][C@@](C)(C[*:1])C(N)=O)nc2n(C)c1=O
CC(C)C[C@](C)([NH2+]Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C)C(N)=O NC(=O)[*:1] CC(C)C[C@](C)([NH2+]Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C)[*:1]
CC(C)C[C@](C)([NH2+]Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C)C(N)=O CC(C)C[*:1] Cn1c(=O)c2[nH]c(C[NH2+][C@@](C)(C(N)=O)[*:1])nc2n(C)c1=O
Cc1cc(C)c(-c2nnc(-c3ccccc3)o2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(-c2nnc(o2)[*:1])c(C)c1
C/C(=C(/F)C(=O)[O-])c1cccc(-n2cnnn2)c1 O=C([O-])[*:1] C/C(=C(/F)[*:1])c1cccc(c1)-n1cnnn1
C/C(=C(/F)C(=O)[O-])c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] C/C(=C(/F)C(=O)[O-])c1cccc(c1)[*:1]
CC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)[*:1]
CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1 CC(C)C[*:1] C[C@@H](C[*:1])NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1
CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1 CC(C)CC[C@H](C)[*:1] O=C(N[*:1])[C@@H]1CSCN1C(=O)/C=C/c1ccco1
CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1 CC(C)[*:1] C[C@@H](CC[*:1])NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1
CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1 c1coc(c1)[*:1] CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C=C[*:1]
CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1 CC(C)CC[*:1] C[C@H](NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1)[*:1]
CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1 C(=C[*:1])c1ccco1 CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[*:1]
Cc1oc(C)c(S(=O)(=O)[N-]n2c(C)ccc2C)c1C(=O)[O-] O=C([O-])[*:1] Cc1oc(C)c(c1S(=O)(=O)[N-]n1c(C)ccc1C)[*:1]
Cc1ccc([C@@](O)(CC(=O)Nc2ccc(F)nc2)C(F)(F)F)o1 Cc1ccc(o1)[*:1] O=C(C[C@](O)(C(F)(F)F)[*:1])Nc1ccc(F)nc1
Cc1ccc([C@@](O)(CC(=O)Nc2ccc(F)nc2)C(F)(F)F)o1 Fc1ccc(cn1)[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)N[*:1])C(F)(F)F
Cc1ccc([C@@](O)(CC(=O)Nc2ccc(F)nc2)C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)Nc1ccc(F)nc1)[*:1]
CCc1nc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)n[nH]1 NC(=O)[*:1] CCc1nc(n[nH]1)C(=O)N1C[C@H](CC[C@H]1C)[*:1]
Cc1cc(C)nc(SCC(=O)NC[C@H](C)Sc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)SCC(=O)NC[C@H](C)S[*:1]
Cc1cc(C)nc(SCC(=O)NC[C@H](C)Sc2ccccc2)n1 c1ccc(cc1)S[*:1] Cc1cc(C)nc(n1)SCC(=O)NC[C@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1NC(=O)CN1CC[NH+](CC1)Cc1ccc(C#N)cc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)CN1CC[NH+](CC1)C[*:1])S(=O)(=O)N1CCOCC1
C[C@H](CC1CCCC1)C(=O)NCC1([O-])CCC1 C1CCC(C1)[*:1] C[C@H](C[*:1])C(=O)NCC1([O-])CCC1
C[C@H](CC1CCCC1)C(=O)NCC1([O-])CCC1 [O-]C1(CCC1)[*:1] C[C@H](CC1CCCC1)C(=O)NC[*:1]
C[C@@H](CC(=O)OCc1cnn(C)c1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](CC(=O)OCc1cnn(C)c1)c1ccccc1[*:1]
C[C@@H](CC(=O)OCc1cnn(C)c1)c1ccccc1C(F)(F)F Cn1cc(cn1)C[*:1] C[C@@H](CC(=O)O[*:1])c1ccccc1C(F)(F)F
C[C@@H](CC(=O)OCc1cnn(C)c1)c1ccccc1C(F)(F)F Cn1cc(cn1)[*:1] C[C@@H](CC(=O)OC[*:1])c1ccccc1C(F)(F)F
Cc1ccc2oc(C(=O)N3CCOC[C@@H]3CC(C)C)cc2c1 CC(C)C[*:1] Cc1ccc2oc(cc2c1)C(=O)N1CCOC[C@H]1[*:1]
Cc1ccc2oc(C(=O)N3CCOC[C@@H]3CC(C)C)cc2c1 CC(C)[*:1] Cc1ccc2oc(cc2c1)C(=O)N1CCOC[C@@H]1C[*:1]
Cc1cc(C)nc(-n2nc(C)c(CC(=O)O[C@@H](C)[C@H]3CCOC3)c2C)n1 Cc1cc(C)nc(n1)[*:1] Cc1nn(c(C)c1CC(=O)O[C@@H](C)[C@H]1CCOC1)[*:1]
C#CCN1C[C@@H](CC)N(CC#C)C[C@@H]1CC C#CC[*:1] C#CCN1C[C@H](CC)N(C[C@H]1CC)[*:1]
CCc1noc(CC)c1CC(=O)Nc1ncc(C)s1 Cc1cnc(s1)[*:1] CCc1noc(CC)c1CC(=O)N[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cc3c(cc2O)OCO3)cc1 Cc1nccn1[*:1] C[C@H](NC(=O)c1cc2OCOc2cc1O)c1ccc(cc1)[*:1]
CC(C)(C)C[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N CC(C)(C)[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)N[C@@H](CO)C[*:1]
CC(C)(C)C[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N CC(C)(C)[*:1] CC(C)(C)C[C@H](CO)NC(=O)C(=O)Nc1nn(cc1C#N)[*:1]
CC(C)(C)C[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N CC(C)(C)C[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)N[C@@H](CO)[*:1]
CC(C)(C)C[C@H](CO)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N CC(C)(C)C[C@H](CO)[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)N[*:1]
C=CCNC(=O)c1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 C=CC[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C=CCNC(=O)c1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 C=CCNC(=O)[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
O=C(NNc1ccc(-n2cccn2)nn1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NNc1ccc(nn1)-n1cccn1)N[*:1]
O=C(NNc1ccc(-n2cccn2)nn1)Nc1cccc(Cl)c1 c1cnn(c1)[*:1] O=C(NNc1ccc(nn1)[*:1])Nc1cccc(Cl)c1
O=C(NCCc1ccc[nH]1)c1cc(=O)[nH]c2c(Br)cccc12 c1c[nH]c(c1)[*:1] O=C(NCC[*:1])c1cc(=O)[nH]c2c(Br)cccc12
O=C(NCCc1ccc[nH]1)c1cc(=O)[nH]c2c(Br)cccc12 c1c[nH]c(c1)C[*:1] O=C(NC[*:1])c1cc(=O)[nH]c2c(Br)cccc12
O=C(NCCc1ccc[nH]1)c1cc(=O)[nH]c2c(Br)cccc12 c1c[nH]c(c1)CC[*:1] O=C(N[*:1])c1cc(=O)[nH]c2c(Br)cccc12
O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccccc1-c1nnc(o1)[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)-c1nnc(o1)[*:1] O=C(COc1ccccc1[*:1])N1CCN(CC1)c1cccc[nH+]1
CN(Cc1nc2ccccc2s1)[C@H](C(N)=O)c1ccccc1 NC(=O)[*:1] CN(Cc1nc2ccccc2s1)[C@H](c1ccccc1)[*:1]
CN(Cc1nc2ccccc2s1)[C@H](C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1nc2ccccc2s1)[C@H](C(N)=O)[*:1]
CCN(CCC(=O)OC)C(=O)/C=C/c1ccco1 COC(=O)CC[*:1] CCN(C(=O)/C=C/c1ccco1)[*:1]
CCN(CCC(=O)OC)C(=O)/C=C/c1ccco1 c1coc(c1)[*:1] CCN(CCC(=O)OC)C(=O)C=C[*:1]
CCN(CCC(=O)OC)C(=O)/C=C/c1ccco1 COC(=O)C[*:1] CCN(C[*:1])C(=O)/C=C/c1ccco1
CCN(CCC(=O)OC)C(=O)/C=C/c1ccco1 COC(=O)[*:1] CCN(CC[*:1])C(=O)/C=C/c1ccco1
C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C c1ccc(cc1)C[*:1] C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](NC(=O)C(C)(C)C)[*:1]
C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C CC(C)(C)[*:1] C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)[*:1]
C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C c1ccc(cc1)[*:1] C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](C[*:1])NC(=O)C(C)(C)C
C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C CC(C)(C)C(=O)N[*:1] C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)[*:1]
O=C(NCc1ccncc1)c1cn(Cc2ccccc2)c2ncccc12 c1ccc(cc1)[*:1] O=C(NCc1ccncc1)c1cn(C[*:1])c2ncccc12
O=C(NCc1ccncc1)c1cn(Cc2ccccc2)c2ncccc12 c1cc(ccn1)[*:1] O=C(NC[*:1])c1cn(Cc2ccccc2)c2ncccc12
O=C(NCc1ccncc1)c1cn(Cc2ccccc2)c2ncccc12 c1ccc(cc1)C[*:1] O=C(NCc1ccncc1)c1cn(c2ncccc12)[*:1]
O=C(NCc1ccncc1)c1cn(Cc2ccccc2)c2ncccc12 c1cc(ccn1)C[*:1] O=C(N[*:1])c1cn(Cc2ccccc2)c2ncccc12
Cc1cncc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
Cc1cncc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccccc1
COc1ccc(Br)cc1CN(C)C(=O)c1ccc(-c2cccs2)[nH]c1=O c1csc(c1)[*:1] COc1ccc(Br)cc1CN(C)C(=O)c1ccc([nH]c1=O)[*:1]
COc1ccc(C(C)=O)cc1CC(=O)OCC#Cc1ccccc1 C(#C[*:1])c1ccccc1 COc1ccc(cc1CC(=O)OC[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CC(=O)OCC#Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1CC(=O)OCC#C[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CC(=O)OCC#Cc1ccccc1 CC(=O)[*:1] COc1ccc(cc1CC(=O)OCC#Cc1ccccc1)[*:1]
N#CCc1ccc(S(=O)(=O)NC2(c3cccc(F)c3)CC2)cc1 N#CC[*:1] O=S(=O)(NC1(CC1)c1cccc(F)c1)c1ccc(cc1)[*:1]
N#CCc1ccc(S(=O)(=O)NC2(c3cccc(F)c3)CC2)cc1 Fc1cccc(c1)[*:1] N#CCc1ccc(cc1)S(=O)(=O)NC1(CC1)[*:1]
Cn1cc[nH+]c1CN1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 Fc1cccc(c1)C[*:1] Cn1cc[nH+]c1CN1CCC(CC1)c1cccc(n1)[*:1]
Cn1cc[nH+]c1CN1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 Fc1cccc(c1)[*:1] Cn1cc[nH+]c1CN1CCC(CC1)c1cccc(C[*:1])n1
CCOc1ncccc1NCc1ccc(Br)c(C)c1 CCO[*:1] Cc1cc(ccc1Br)CNc1cccnc1[*:1]
C/[NH+]=C(/NCCc1nc(C(C)C)no1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 CC(C)[*:1] C/[NH+]=C(/NCCc1nc(no1)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
C/[NH+]=C(/NCCc1nc(C(C)C)no1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 CC(C)c1noc(C[*:1])n1 C/[NH+]=C(/NC[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
C/[NH+]=C(/NCCc1nc(C(C)C)no1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] C/[NH+]=C(/NCCc1nc(no1)C(C)C)N1CCN(CC1)C(=O)[*:1]
C/[NH+]=C(/NCCc1nc(C(C)C)no1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 CC(C)c1noc(n1)[*:1] C/[NH+]=C(/NCC[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
CCOCCCn1c([O-])c2cc(Br)ccc2nc1=S CCOCCC[*:1] [O-]c1c2cc(Br)ccc2nc(=S)n1[*:1]
CCOCCCn1c([O-])c2cc(Br)ccc2nc1=S CCO[*:1] [O-]c1c2cc(Br)ccc2nc(=S)n1CCC[*:1]
CCOCCCn1c([O-])c2cc(Br)ccc2nc1=S CCOCC[*:1] [O-]c1c2cc(Br)ccc2nc(=S)n1C[*:1]
CCOCCCn1c([O-])c2cc(Br)ccc2nc1=S CCOC[*:1] [O-]c1c2cc(Br)ccc2nc(=S)n1CC[*:1]
Cc1cc(C)c(NC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c(C)c1 CC(C)[*:1] Cc1cc(C)c(NC(=O)N2CCN(CC2)C(=O)C(=O)N[*:1])c(C)c1
Cc1cccc(OCCCCC(=O)N2CCC(C(N)=O)CC2)c1 Cc1cccc(c1)[*:1] NC(=O)C1CCN(CC1)C(=O)CCCCO[*:1]
Cc1cccc(OCCCCC(=O)N2CCC(C(N)=O)CC2)c1 NC(=O)[*:1] Cc1cccc(c1)OCCCCC(=O)N1CCC(CC1)[*:1]
Cc1[nH]c(=O)ccc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 Cc1[nH]c(=O)ccc1[*:1] O=C(N1CCC[C@@H]1c1nc(n[nH]1)-c1ccccc1)[*:1]
Cc1[nH]c(=O)ccc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1[nH]c(=O)ccc1C(=O)N1CCC[C@@H]1c1nc(n[nH]1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1cc2cccc(OC)c2o1 CCS(=O)(=O)[*:1] COc1cccc2cc(oc12)C(=O)N(C)CC[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1cc2cccc(OC)c2o1 CCS(=O)(=O)CC[*:1] COc1cccc2cc(oc12)C(=O)N(C)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1cc2cccc(OC)c2o1 CCS(=O)(=O)C[*:1] COc1cccc2cc(oc12)C(=O)N(C)C[*:1]
Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)n2c(C)ccc2C)C1 Cc1ccc(C)n1[*:1] Cc1[nH+]ccn1[C@@H]1CCCN(C1)C(=O)[C@H](C)[*:1]
Cc1ccc2ncc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)n2c1 c1csc(c1)[*:1] Cc1ccc2ncc(C(=O)NC[C@@H]([NH+]3CCCC3)[*:1])n2c1
CCC(CC)[NH+](C)CCS(=O)(=O)c1cccc(Br)c1 CCC(CC)[*:1] C[NH+](CCS(=O)(=O)c1cccc(Br)c1)[*:1]
Cc1cc(NC(=O)C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)no1 Cc1cc(no1)[*:1] C[C@@H]1CN(CCCNC(=O)C(=O)N[*:1])C[C@@H](C)O1
C[C@@H](C(=O)N1CCc2ccccc21)N(C)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](C(=O)N1CCc2ccccc21)N(C)Cc1ccc(cc1)[*:1]
CCc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)s1 c1cc(ccn1)[*:1] CCc1ccc(s1)[C@@H](C)[NH2+][C@H](C)c1nc(cs1)[*:1]
CCc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)s1 CCc1ccc(s1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1nc(cs1)-c1ccncc1
Cc1ccc(-c2nc3n(c2CNC(=O)c2c(F)cccc2Cl)CCS3)cc1 Fc1cccc(Cl)c1[*:1] Cc1ccc(cc1)-c1nc2SCCn2c1CNC(=O)[*:1]
Cc1ccc(-c2nc3n(c2CNC(=O)c2c(F)cccc2Cl)CCS3)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1c(nc2SCCn21)[*:1])c1c(F)cccc1Cl
CSCc1cccc(NC(=O)CCn2ncc3cc(C)ccc32)c1 CSC[*:1] Cc1ccc2c(cnn2CCC(=O)Nc2cccc(c2)[*:1])c1
O=C(c1nc(Cl)ccc1Cl)N1CCC[C@H]1c1nnc2ccccn12 Clc1ccc(Cl)c(n1)[*:1] O=C(N1CCC[C@H]1c1nnc2ccccn12)[*:1]
COC(=O)[C@H](S[C@@H](C)CCO)C1CC1 C1CC1[*:1] COC(=O)[C@H](S[C@@H](C)CCO)[*:1]
COC(=O)[C@H](S[C@@H](C)CCO)C1CC1 OCC[*:1] COC(=O)[C@H](S[C@@H](C)[*:1])C1CC1
COC(=O)[C@H](S[C@@H](C)CCO)C1CC1 COC(=O)[*:1] C[C@@H](CCO)S[C@H](C1CC1)[*:1]
COc1ccc(CCC(=O)N(C)Cc2ccc(Br)cc2)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCC(=O)N(C)C[*:1]
COc1ccc(CCC(=O)N(C)Cc2ccc(Br)cc2)cc1OC Brc1ccc(cc1)C[*:1] COc1ccc(cc1OC)CCC(=O)N(C)[*:1]
Cc1nn(CC(=O)Nc2ccc(C(N)=O)cc2F)c(C)c1Cl NC(=O)[*:1] Cc1nn(CC(=O)Nc2ccc(cc2F)[*:1])c(C)c1Cl
CC(=O)C1=C(C)C(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)=N[C@@H]1C c1csc(c1)[*:1] CC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
CC(=O)C1=C(C)C(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)=N[C@@H]1C CC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1
CCC(=O)NCc1[nH+]c2c(n1C)CN(C(=O)c1cc(F)cc(F)c1)CC2 CCC(=O)N[*:1] Cn1c(C[*:1])[nH+]c2CCN(Cc21)C(=O)c1cc(F)cc(F)c1
CCC(=O)NCc1[nH+]c2c(n1C)CN(C(=O)c1cc(F)cc(F)c1)CC2 Fc1cc(F)cc(c1)[*:1] CCC(=O)NCc1[nH+]c2CCN(Cc2n1C)C(=O)[*:1]
CCC(=O)NCc1[nH+]c2c(n1C)CN(C(=O)c1cc(F)cc(F)c1)CC2 CCC(=O)NC[*:1] Cn1c([nH+]c2CCN(Cc21)C(=O)c1cc(F)cc(F)c1)[*:1]
CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc2c(c1)CCCC2 CC(C)NC(=O)C[*:1] CCN(S(=O)(=O)c1ccc2CCCCc2c1)[*:1]
CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc2c(c1)CCCC2 CC(C)[*:1] CCN(CC(=O)N[*:1])S(=O)(=O)c1ccc2CCCCc2c1
CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc2c(c1)CCCC2 CC(C)NC(=O)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc2CCCCc2c1
CC(C)(C)OC(=O)N1CC[C@H]([S@@](=O)c2ncccc2[N+](=O)[O-])C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C1)[S@@](=O)c1ncccc1[N+](=O)[O-]
CC(C)(C)OC(=O)N1CC[C@H]([S@@](=O)c2ncccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)[S@@](=O)c1ncccc1[*:1]
Cn1nc(-c2ccncc2)c(-c2ccccc2F)c1N c1cc(ccn1)[*:1] Cn1nc(c(-c2ccccc2F)c1N)[*:1]
COCCn1nc(C(=O)NC2CCCCCCC2)ccc1=O COC[*:1] O=C(NC1CCCCCCC1)c1ccc(=O)n(C[*:1])n1
COCCn1nc(C(=O)NC2CCCCCCC2)ccc1=O COCC[*:1] O=C(NC1CCCCCCC1)c1ccc(=O)n(n1)[*:1]
Cn1nc(-c2cccs2)cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1nc(cc1C(=O)N1CCN(CC1)C(c1ccccc1)[*:1])-c1cccs1
Cn1nc(-c2cccs2)cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1csc(c1)[*:1] Cn1nc(cc1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)[*:1]
CCS(=O)(=O)N1CCc2cc(C(=O)NCc3ccc(Cl)cc3)ccc21 Clc1ccc(cc1)[*:1] CCS(=O)(=O)N1CCc2cc(ccc21)C(=O)NC[*:1]
CCS(=O)(=O)N1CCc2cc(C(=O)NCc3ccc(Cl)cc3)ccc21 Clc1ccc(cc1)C[*:1] CCS(=O)(=O)N1CCc2cc(ccc21)C(=O)N[*:1]
COc1ccc(-n2c(=O)[nH]c3cc([C@@H]4N[C@@H](c5cccc(OC)c5OC)NO4)ccc3c2=O)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1OC)[C@H]1NO[C@@H](N1)c1ccc2c(=O)n(c(=O)[nH]c2c1)[*:1]
COc1ccc(-n2c(=O)[nH]c3cc([C@@H]4N[C@@H](c5cccc(OC)c5OC)NO4)ccc3c2=O)cc1 COc1cccc(c1OC)[*:1] COc1ccc(cc1)-n1c(=O)[nH]c2cc(ccc2c1=O)[C@@H]1N[C@@H](NO1)[*:1]
CC(C)(C)c1ccc(NC(=O)COc2nncc3ccccc23)cc1 CC(C)(C)[*:1] O=C(COc1nncc2ccccc12)Nc1ccc(cc1)[*:1]
C[C@@H](Nc1ccc(C#N)cn1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](Nc1ccc(C#N)cn1)C(=O)N[*:1]
CCS(=O)(=O)NCCNC(=O)c1scnc1C1CC1 C1CC1[*:1] CCS(=O)(=O)NCCNC(=O)c1scnc1[*:1]
CCS(=O)(=O)NCCNC(=O)c1scnc1C1CC1 CCS(=O)(=O)N[*:1] O=C(NCC[*:1])c1scnc1C1CC1
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cc(Cl)ccc1N1CCCCC1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(=N1)[*:1])Nc1cc(Cl)ccc1N1CCCCC1
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cc(Cl)ccc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(CCC(=O)N1CCC(=N1)c1ccccc1)Nc1cc(Cl)ccc1[*:1]
Cn1cnnc1[C@@H]1CCCN(c2ncnc3ccc(F)cc23)C1 Cn1cnnc1[*:1] Fc1ccc2ncnc(c2c1)N1CCC[C@H](C1)[*:1]
CCCc1c(C(=O)[O-])nnn1-c1cccc(C(F)(F)F)c1 CCC[*:1] O=C([O-])c1nnn(-c2cccc(c2)C(F)(F)F)c1[*:1]
CCCc1c(C(=O)[O-])nnn1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCCc1c(nnn1-c1cccc(c1)[*:1])C(=O)[O-]
CCCc1c(C(=O)[O-])nnn1-c1cccc(C(F)(F)F)c1 O=C([O-])[*:1] CCCc1c(nnn1-c1cccc(c1)C(F)(F)F)[*:1]
COCC[NH2+]CC(=O)NC1CCCCCCC1 COC[*:1] O=C(C[NH2+]C[*:1])NC1CCCCCCC1
COCC[NH2+]CC(=O)NC1CCCCCCC1 COCC[*:1] O=C(C[NH2+][*:1])NC1CCCCCCC1
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H](Oc1ccccc1)C(=O)NNC(=O)O[*:1]
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)OC(C)(C)C c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)OC(C)(C)C
COCCCNC(=O)c1ccc2[nH]cnc2c1 COCCC[*:1] O=C(N[*:1])c1ccc2[nH]cnc2c1
COCCCNC(=O)c1ccc2[nH]cnc2c1 COCC[*:1] O=C(NC[*:1])c1ccc2[nH]cnc2c1
COCCCNC(=O)c1ccc2[nH]cnc2c1 COC[*:1] O=C(NCC[*:1])c1ccc2[nH]cnc2c1
COCc1nc(OC)c2c(C)c(C(=O)N(C)C[C@@H]3CCN(C(C)=O)C3)sc2n1 COC[*:1] COc1nc(nc2sc(C(=O)N(C)C[C@@H]3CCN(C3)C(C)=O)c(C)c12)[*:1]
COCc1nc(OC)c2c(C)c(C(=O)N(C)C[C@@H]3CCN(C(C)=O)C3)sc2n1 CC(=O)N1CC[C@H](C1)[*:1] COCc1nc(OC)c2c(C)c(sc2n1)C(=O)N(C)C[*:1]
COC(=O)c1cc(CSc2csc(C(=O)[O-])c2)oc1C O=C([O-])[*:1] COC(=O)c1cc(CSc2csc(c2)[*:1])oc1C
COC(=O)c1cc(CSc2csc(C(=O)[O-])c2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CSc1csc(c1)C(=O)[O-]
CCn1cc(C(=O)NCCC(C)C)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 CC(C)C[*:1] CCn1cc(C(=O)NC[*:1])c(=O)c2cc(ccc21)S(=O)(=O)N(C)C
CCn1cc(C(=O)NCCC(C)C)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 CC(C)[*:1] CCn1cc(C(=O)NCC[*:1])c(=O)c2cc(ccc21)S(=O)(=O)N(C)C
CCn1cc(C(=O)NCCC(C)C)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] CCn1cc(C(=O)NCCC(C)C)c(=O)c2cc(ccc21)[*:1]
CCn1cc(C(=O)NCCC(C)C)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 CC(C)CC[*:1] CCn1cc(C(=O)N[*:1])c(=O)c2cc(ccc21)S(=O)(=O)N(C)C
CCn1cc(C(=O)NCCC(C)C)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 CC(C)CCNC(=O)[*:1] CCn1cc(c(=O)c2cc(ccc21)S(=O)(=O)N(C)C)[*:1]
O=C1CCCN1CC[C@H]1CCCCN1C(=O)c1ccc(-c2nc[nH]n2)cc1 O=C1CCCN1C[*:1] O=C(c1ccc(cc1)-c1nc[nH]n1)N1CCCC[C@@H]1C[*:1]
O=C1CCCN1CC[C@H]1CCCCN1C(=O)c1ccc(-c2nc[nH]n2)cc1 O=C1CCCN1CC[*:1] O=C(c1ccc(cc1)-c1nc[nH]n1)N1CCCC[C@@H]1[*:1]
O=C1CCCN1CC[C@H]1CCCCN1C(=O)c1ccc(-c2nc[nH]n2)cc1 c1nc(n[nH]1)[*:1] O=C1CCCN1CC[C@H]1CCCCN1C(=O)c1ccc(cc1)[*:1]
O=C1CCCN1CC[C@H]1CCCCN1C(=O)c1ccc(-c2nc[nH]n2)cc1 O=C1CCCN1[*:1] O=C(c1ccc(cc1)-c1nc[nH]n1)N1CCCC[C@@H]1CC[*:1]
CC(C)c1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1 NC(=O)[*:1] CC(C)c1ccc(cc1)CCC(=O)Nc1ccccc1[*:1]
CC(C)c1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1 CC(C)[*:1] NC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)[*:1]
C[C@@H](Nc1ccccc1Cl)c1ccoc1 c1cc(co1)[*:1] C[C@@H](Nc1ccccc1Cl)[*:1]
O=C1OCCN1c1cccc2c1CCN(Cc1cccc(F)c1F)C2 O=C1OCCN1[*:1] Fc1cccc(CN2CCc3c(cccc3[*:1])C2)c1F
O=C1OCCN1c1cccc2c1CCN(Cc1cccc(F)c1F)C2 Fc1cccc(c1F)[*:1] O=C1OCCN1c1cccc2CN(CCc21)C[*:1]
COCCN(CCC#N)Cc1cc2cc(F)ccc2o1 COC[*:1] N#CCCN(Cc1cc2cc(F)ccc2o1)C[*:1]
COCCN(CCC#N)Cc1cc2cc(F)ccc2o1 N#CC[*:1] COCCN(Cc1cc2cc(F)ccc2o1)C[*:1]
COCCN(CCC#N)Cc1cc2cc(F)ccc2o1 COCC[*:1] N#CCCN(Cc1cc2cc(F)ccc2o1)[*:1]
COCCN(CCC#N)Cc1cc2cc(F)ccc2o1 N#CCC[*:1] COCCN(Cc1cc2cc(F)ccc2o1)[*:1]
C[NH2+][C@@H]1CC[C@H](SC[C@@H](C)CO)[C@H]1C C[C@@H](CO)[*:1] C[NH2+][C@@H]1CC[C@H](SC[*:1])[C@H]1C
COC1CCN(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 Clc1ccc(cc1)[*:1] COC1CCN(CC1)C(=O)N[C@@H](C[*:1])c1ccccc1
COC1CCN(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 Clc1ccc(cc1)C[*:1] COC1CCN(CC1)C(=O)N[C@@H](c1ccccc1)[*:1]
COC1CCN(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] COC1CCN(CC1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 CCNC(=O)[*:1] N#CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](C2)[*:1])cc1
CCNC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 N#CC[*:1] CCNC(=O)[C@H]1CCCN(C1)C(=O)/C=C/c1ccc(cc1)O[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 N#CCO[*:1] CCNC(=O)[C@H]1CCCN(C1)C(=O)/C=C/c1ccc(cc1)[*:1]
O=C(OC1CCN(CC(F)(F)F)CC1)[C@H]1C[C@@H]1c1ccccc1F FC(F)(F)C[*:1] O=C(OC1CCN(CC1)[*:1])[C@H]1C[C@@H]1c1ccccc1F
O=C(OC1CCN(CC(F)(F)F)CC1)[C@H]1C[C@@H]1c1ccccc1F FC(F)(F)[*:1] O=C(OC1CCN(CC1)C[*:1])[C@H]1C[C@@H]1c1ccccc1F
O=C(OC1CCN(CC(F)(F)F)CC1)[C@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(OC1CCN(CC1)CC(F)(F)F)[C@H]1C[C@H]1[*:1]
C[C@H](NC(=O)C1CCC1)C(=O)NC(C)(C)C C1CC(C1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NC(C)(C)C
C[C@H](NC(=O)C1CCC1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)C1CCC1)C(=O)N[*:1]
C[C@@H]1C[C@H]1NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] C[C@@H]1C[C@H]1NC(=O)Nc1ccc(cc1)[*:1]
C[C@@H]1C[C@H]1NC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] C[C@@H]1C[C@H]1NC(=O)Nc1ccc(cc1)S(=O)(=O)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)n3ccccc3n2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)OCc2cc(=O)n3ccccc3n2)c(C)c1[*:1]
N#CCc1cccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)c1 C1CC1[*:1] N#CCc1cccc(c1)C(=O)Oc1cccc(c1)C(=O)N[*:1]
N#CCc1cccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)c1 N#CC[*:1] O=C(NC1CC1)c1cccc(c1)OC(=O)c1cccc(c1)[*:1]
N#CCc1cccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)c1 O=C(NC1CC1)[*:1] N#CCc1cccc(c1)C(=O)Oc1cccc(c1)[*:1]
COc1cccc(NC(=O)CCn2cnc3c(cnn3C)c2=O)c1 COc1cccc(c1)[*:1] Cn1ncc2c(=O)n(cnc21)CCC(=O)N[*:1]
C[C@]1(CN[C@@H](C[NH3+])c2ccc(Cl)c(Cl)c2)CCCO1 C[C@@]1(CCCO1)[*:1] [NH3+]C[C@H](NC[*:1])c1ccc(Cl)c(Cl)c1
Cc1cccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1O Cc1cccc(c1O)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CC(C)Oc1ncccc1CNC(=O)N1CCOC[C@@H]1C1CC1 CC(C)O[*:1] O=C(NCc1cccnc1[*:1])N1CCOC[C@@H]1C1CC1
CC(C)Oc1ncccc1CNC(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] CC(C)Oc1ncccc1CNC(=O)N1CCOC[C@H]1[*:1]
CC(C)Oc1ncccc1CNC(=O)N1CCOC[C@@H]1C1CC1 CC(C)[*:1] O=C(NCc1cccnc1O[*:1])N1CCOC[C@@H]1C1CC1
COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(Cl)cc1 c1cc(co1)C[*:1] COCCN(S(=O)(=O)c1ccc(Cl)cc1)[*:1]
COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(Cl)cc1 c1cc(co1)[*:1] COCCN(C[*:1])S(=O)(=O)c1ccc(Cl)cc1
COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCN(Cc1ccoc1)S(=O)(=O)[*:1]
COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(Cl)cc1 COCC[*:1] O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccoc1)[*:1]
COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(Cl)cc1 COC[*:1] O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccoc1)C[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N1CCc2cc(C)ccc21 CC(=O)N[*:1] COc1ccc(cc1NC(=O)[C@@H](C)N1CCc2cc(C)ccc21)[*:1]
Cc1c(Cl)cc(NC(=O)C(=O)NC[C@H](C)C#N)cc1Cl C[C@H](C#N)C[*:1] Cc1c(Cl)cc(cc1Cl)NC(=O)C(=O)N[*:1]
Cc1c(Cl)cc(NC(=O)C(=O)NC[C@H](C)C#N)cc1Cl C[C@H](C#N)[*:1] Cc1c(Cl)cc(cc1Cl)NC(=O)C(=O)NC[*:1]
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)n1nc(-n2cccn2)ccc1=O c1cnn(c1)[*:1] C[C@H](C(=O)Nc1ccc2OCOc2c1)n1nc(ccc1=O)[*:1]
Cc1ccc2nc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)cn2c1 c1ccn2c(nnc2c1)[*:1] Cc1ccc2nc(cn2c1)C(=O)N1CCC[C@@H](C1)[*:1]
C1CC[NH2+][C@@](C2CC2)([C@H]2CCOC3(CCCC3)C2)CC1 C1CC1[*:1] C1CC[NH2+][C@](CC1)([C@H]1CCOC2(CCCC2)C1)[*:1]
O=C(CCc1ccccc1)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 c1ccc(cc1)CC[*:1] O=C1[C@H]2CCCCN2C(=O)c2ccccc2N1C(=O)[*:1]
O=C(CCc1ccccc1)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 c1ccc(cc1)C[*:1] O=C(C[*:1])N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21
O=C(CCc1ccccc1)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 c1ccc(cc1)[*:1] O=C(CC[*:1])N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21
O=C(NCc1ccc(F)cc1)c1cnc2c(ccn2C2CCCCC2)c1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1cnc2c(ccn2C2CCCCC2)c1
O=C(NCc1ccc(F)cc1)c1cnc2c(ccn2C2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NCc1ccc(F)cc1)c1cnc2c(ccn2[*:1])c1
O=C(NCc1ccc(F)cc1)c1cnc2c(ccn2C2CCCCC2)c1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])c1cnc2c(ccn2C2CCCCC2)c1
Cc1cc([C@@](C)(O)CNC(=O)CCCc2cc(F)ccc2F)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@](O)(CNC(=O)CCCc1cc(F)ccc1F)[*:1]
Cc1cc([C@@](C)(O)CNC(=O)CCCc2cc(F)ccc2F)c(C)o1 Fc1ccc(F)c(c1)[*:1] Cc1cc(c(C)o1)[C@@](C)(O)CNC(=O)CCC[*:1]
CC[C@@H](C)NS(=O)(=O)[C@H]1CON(C)[C@@H]1c1ccccc1Cl CC[C@@H](C)[*:1] CN1OC[C@@H]([C@H]1c1ccccc1Cl)S(=O)(=O)N[*:1]
CC[C@@H](C)NS(=O)(=O)[C@H]1CON(C)[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] CC[C@@H](C)NS(=O)(=O)[C@H]1CON(C)[C@H]1[*:1]
CN(C)C(=O)[C@H]1CCCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C1 C1CO[C@@H](C1)[*:1] CN(C)C(=O)[C@H]1CCCN(C1)C(=O)c1cnc(s1)[*:1]
CN(C)C(=O)[C@H]1CCCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C1 CN(C)C(=O)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC[C@@H](C1)[*:1]
Fc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nnnn21 Clc1ccc(cc1)[*:1] Fc1ccccc1[C@H]1C[C@@H](Nc2nnnn21)[*:1]
Fc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nnnn21 Fc1ccccc1[*:1] Clc1ccc(cc1)[C@@H]1C[C@@H](n2nnnc2N1)[*:1]
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2cccnc2-n2cccn2)cc1 c1cnn(c1)[*:1] COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2cccnc2[*:1])cc1
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2cccnc2-n2cccn2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)C=C[*:1])C(=O)Nc1cccnc1-n1cccn1
CC1(NC(=O)Cc2ccc[nH]2)CCCCC1 c1c[nH]c(c1)[*:1] CC1(CCCCC1)NC(=O)C[*:1]
Cc1noc(Cl)c1CC(=O)NC1CC[NH+](CCOC(C)C)CC1 CC(C)[*:1] Cc1noc(Cl)c1CC(=O)NC1CC[NH+](CCO[*:1])CC1
Cc1noc(Cl)c1CC(=O)NC1CC[NH+](CCOC(C)C)CC1 Cc1noc(Cl)c1[*:1] CC(C)OCC[NH+]1CCC(CC1)NC(=O)C[*:1]
Cc1noc(Cl)c1CC(=O)NC1CC[NH+](CCOC(C)C)CC1 CC(C)OC[*:1] Cc1noc(Cl)c1CC(=O)NC1CC[NH+](CC1)C[*:1]
Cc1noc(Cl)c1CC(=O)NC1CC[NH+](CCOC(C)C)CC1 CC(C)OCC[*:1] Cc1noc(Cl)c1CC(=O)NC1CC[NH+](CC1)[*:1]
Cc1noc(Cl)c1CC(=O)NC1CC[NH+](CCOC(C)C)CC1 CC(C)O[*:1] Cc1noc(Cl)c1CC(=O)NC1CC[NH+](CC1)CC[*:1]
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCc3ccccn3)ccc2S1 c1ccc(C[*:1])nc1 C[C@H]1CC(=O)Nc2cc(ccc2S1)S(=O)(=O)N[*:1]
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCc3ccccn3)ccc2S1 c1ccc(nc1)[*:1] C[C@H]1CC(=O)Nc2cc(ccc2S1)S(=O)(=O)NC[*:1]
CN(CCS(C)(=O)=O)C(=O)Nc1ccc(F)c(C#N)c1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)Nc1ccc(F)c(C#N)c1
CN(CCS(C)(=O)=O)C(=O)Nc1ccc(F)c(C#N)c1 CS(=O)(=O)CC[*:1] CN(C(=O)Nc1ccc(F)c(C#N)c1)[*:1]
CN(CCS(C)(=O)=O)C(=O)Nc1ccc(F)c(C#N)c1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)Nc1ccc(F)c(C#N)c1
C[NH+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1Br Brc1ccccc1C[*:1] C[NH+](Cc1nc(no1)-c1ccc(cc1)C(F)(F)F)[*:1]
C[NH+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1Br Brc1ccccc1[*:1] C[NH+](Cc1nc(no1)-c1ccc(cc1)C(F)(F)F)C[*:1]
C[NH+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1Br FC(F)(F)[*:1] C[NH+](Cc1nc(no1)-c1ccc(cc1)[*:1])Cc1ccccc1Br
COC(=O)[C@@H](O)C1CCN(C(=O)c2nc(C3CC3)n3ccccc23)CC1 COC(=O)[*:1] O=C(c1nc(C2CC2)n2ccccc12)N1CCC(CC1)[C@H](O)[*:1]
COC(=O)[C@@H](O)C1CCN(C(=O)c2nc(C3CC3)n3ccccc23)CC1 C1CC1[*:1] COC(=O)[C@@H](O)C1CCN(CC1)C(=O)c1nc(n2ccccc12)[*:1]
CC[C@](C)(NC(=O)c1c(Cl)cccc1Cl)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)c1c(Cl)cccc1Cl)[*:1]
Nc1c(NCCCN2CCOCC2)ncnc1Sc1cccc2cccnc12 C1CN(CCO1)[*:1] Nc1c(ncnc1Sc1cccc2cccnc12)NCCC[*:1]
Nc1c(NCCCN2CCOCC2)ncnc1Sc1cccc2cccnc12 C1CN(CCO1)CC[*:1] Nc1c(ncnc1Sc1cccc2cccnc12)NC[*:1]
Nc1c(NCCCN2CCOCC2)ncnc1Sc1cccc2cccnc12 C(CN1CCOCC1)C[*:1] Nc1c(ncnc1Sc1cccc2cccnc12)N[*:1]
Nc1c(NCCCN2CCOCC2)ncnc1Sc1cccc2cccnc12 C1CN(CCO1)C[*:1] Nc1c(ncnc1Sc1cccc2cccnc12)NCC[*:1]
CCC[C@@H](C)[C@H]([NH2+]CC)C(C)C CCC[*:1] CC[NH2+][C@H](C(C)C)[C@H](C)[*:1]
CCC[C@@H](C)[C@H]([NH2+]CC)C(C)C CC(C)[*:1] CCC[C@@H](C)[C@H]([NH2+]CC)[*:1]
CC[C@@H](C)CN(CC)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 CC[C@@H](C)C[*:1] CCN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[*:1]
CC[C@@H](C)CN(CC)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 CC[C@@H](C)[*:1] CCN(C[*:1])C(=O)[C@@H]1CC[C@H](C[NH3+])O1
COc1cccc(N2C[C@H](Cc3ccccc3)N(C(=O)CC[NH+](C)C)CC2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1C[C@H](C[*:1])N(CC1=O)C(=O)CC[NH+](C)C
COc1cccc(N2C[C@H](Cc3ccccc3)N(C(=O)CC[NH+](C)C)CC2=O)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)N1C[C@H](N(CC1=O)C(=O)CC[NH+](C)C)[*:1]
COc1cccc(N2C[C@H](Cc3ccccc3)N(C(=O)CC[NH+](C)C)CC2=O)c1 COc1cccc(c1)[*:1] C[NH+](C)CCC(=O)N1CC(=O)N(C[C@@H]1Cc1ccccc1)[*:1]
CN1CC[C@@H](NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C1=O CC(C)(C)C(=O)N[*:1] CN1CC[C@@H](NC(=O)Cc2csc(n2)[*:1])C1=O
CN1CC[C@@H](NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C1=O CC(C)(C)[*:1] CN1CC[C@@H](NC(=O)Cc2csc(n2)NC(=O)[*:1])C1=O
CN1CC[C@@H](NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C1=O CN1CC[C@@H](C1=O)[*:1] CC(C)(C)C(=O)Nc1nc(cs1)CC(=O)N[*:1]
Cc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
O=C1c2ccccc2[C@@H]2OC[C@@H](Cc3ccccc3)N12 c1ccc(cc1)[*:1] O=C1c2ccccc2[C@@H]2OC[C@@H](C[*:1])N12
CC(=O)Nc1ccc(OCCO)c(OCCO)c1 CC(=O)N[*:1] OCCOc1ccc(cc1OCCO)[*:1]
CC(=O)Nc1ccc(OCCO)c(OCCO)c1 OCC[*:1] CC(=O)Nc1ccc(OCCO)c(c1)O[*:1]
CC(=O)Nc1ccc(OCCO)c(OCCO)c1 OCC[*:1] CC(=O)Nc1ccc(O[*:1])c(c1)OCCO
CC(=O)Nc1ccc(OCCO)c(OCCO)c1 OCCO[*:1] CC(=O)Nc1ccc(c(c1)OCCO)[*:1]
CC(=O)Nc1ccc(OCCO)c(OCCO)c1 OCCO[*:1] CC(=O)Nc1ccc(OCCO)c(c1)[*:1]
Fc1ccc2c(c1)[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)CCO2 C1C[C@@H](CO1)[*:1] Fc1ccc2OCC[C@@H]([NH2+][C@@H](C[*:1])c3ccccc3)c2c1
Fc1ccc2c(c1)[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)CCO2 c1ccc(cc1)[*:1] Fc1ccc2OCC[C@@H]([NH2+][C@@H](C[C@H]3CCOC3)[*:1])c2c1
CN(C(=O)c1cc(C#N)cs1)C1CCC1 C1CC(C1)[*:1] CN(C(=O)c1cc(C#N)cs1)[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)CNC(=O)NCc1ccc(F)cc1 CN(C)C(=O)C[*:1] O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccccc1[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)CNC(=O)NCc1ccc(F)cc1 CN(C)C(=O)[*:1] O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccccc1C[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)CNC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)CNC(=O)NC[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)CNC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)CNC(=O)N[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Cl)cc1[*:1]
CC(=O)c1ccc(NC(=S)N(Cc2ccncc2)C2CCCCC2)cc1 c1cc(ccn1)C[*:1] CC(=O)c1ccc(cc1)NC(=S)N(C1CCCCC1)[*:1]
CC(=O)c1ccc(NC(=S)N(Cc2ccncc2)C2CCCCC2)cc1 CC(=O)[*:1] S=C(Nc1ccc(cc1)[*:1])N(Cc1ccncc1)C1CCCCC1
CC(=O)c1ccc(NC(=S)N(Cc2ccncc2)C2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(=O)c1ccc(cc1)NC(=S)N(Cc1ccncc1)[*:1]
CC(=O)c1ccc(NC(=S)N(Cc2ccncc2)C2CCCCC2)cc1 c1cc(ccn1)[*:1] CC(=O)c1ccc(cc1)NC(=S)N(C[*:1])C1CCCCC1
Cc1ccc(CNC(=O)[C@H](C)Oc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(CNC(=O)[C@H](C)O[*:1])s1
Cc1ccc(CNC(=O)[C@H](C)Oc2ccccc2)s1 Cc1ccc(s1)[*:1] C[C@H](Oc1ccccc1)C(=O)NC[*:1]
Cc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1C NS(=O)(=O)[*:1] Cc1ccc(cc1C)C(=O)Nc1cccc(c1)[*:1]
CCC(C)(C)[NH2+]CCOc1cccnc1C CCC(C)(C)[*:1] Cc1ncccc1OCC[NH2+][*:1]
CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)C1 CC(=O)N1CC[C@@H](C1)[*:1] C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)C[*:1]
CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)C1 CC(=O)N1CC[C@H](C1)C[*:1] C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)[*:1]
CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccncc1 c1cc(ccn1)[*:1] CN(CC(=O)Nc1cccc2ccccc12)C(=O)[*:1]
CCC[C@@H]1Nc2[nH+]ccc(C)c2NC1=O CCC[*:1] Cc1cc[nH+]c2N[C@H](C(=O)Nc12)[*:1]
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H]1CCC(=O)NC1 Clc1ccc(cc1)O[*:1] Cc1nc(C[*:1])sc1C(=O)N[C@@H]1CCC(=O)NC1
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H]1CCC(=O)NC1 Clc1ccc(cc1)[*:1] Cc1nc(CO[*:1])sc1C(=O)N[C@@H]1CCC(=O)NC1
CC[NH+](CC(=O)Nc1c(C)cccc1C)Cc1cccc(-c2ccncc2)c1 Cc1cccc(C)c1[*:1] CC[NH+](CC(=O)N[*:1])Cc1cccc(c1)-c1ccncc1
CC[NH+](CC(=O)Nc1c(C)cccc1C)Cc1cccc(-c2ccncc2)c1 c1cc(ccn1)[*:1] CC[NH+](CC(=O)Nc1c(C)cccc1C)Cc1cccc(c1)[*:1]
CN(c1ccccc1C(N)=O)S(=O)(=O)/C=C/c1ccc(Cl)cc1 NC(=O)[*:1] CN(c1ccccc1[*:1])S(=O)(=O)/C=C/c1ccc(Cl)cc1
CN(c1ccccc1C(N)=O)S(=O)(=O)/C=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(c1ccccc1C(N)=O)S(=O)(=O)C=C[*:1]
CCCc1n[nH]cc1C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C CCC[*:1] Cn1c(nc2ccccc21)[C@H]1CCCN1C(=O)c1c[nH]nc1[*:1]
NC(=O)CONC(=O)Cc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] NC(=O)CONC(=O)Cc1cccc(c1)O[*:1]
NC(=O)CONC(=O)Cc1cccc(OC(F)(F)F)c1 NC(=O)[*:1] O=C(Cc1cccc(c1)OC(F)(F)F)NOC[*:1]
NC(=O)CONC(=O)Cc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] NC(=O)CONC(=O)Cc1cccc(c1)[*:1]
NC(=O)CONC(=O)Cc1cccc(OC(F)(F)F)c1 NC(=O)C[*:1] O=C(Cc1cccc(c1)OC(F)(F)F)NO[*:1]
C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NC4=[NH+]CCC4)cc3)cc2C1=O C=CC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC1CCC[NH+]=1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CCCOc1ccccc1NC(=O)NC[C@H]1CCS(=O)(=O)C1 CCCO[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccccc1[*:1]
CCCOc1ccccc1NC(=O)NC[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccccc1O[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 c1cc2OCOc2cc1[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)C[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)C(=O)N1CCN(CC1)Cc1ccc2OCOc2c1
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 c1cc2OCOc2cc1C[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)[*:1]
CC(C)[C@]1(C)CC[NH2+]C[C@@H]1c1ccccc1F CC(C)[*:1] C[C@@]1(CC[NH2+]C[C@@H]1c1ccccc1F)[*:1]
O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=[NH+]\c1cccc(F)c1 O=C(Nc1ccccn1)[*:1] Oc1ccc2cc(/c(=[NH+]/c3cccc(F)c3)oc2c1)[*:1]
O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=[NH+]\c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccccn1)c1cc2ccc(O)cc2oc1=[NH+][*:1]
O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=[NH+]\c1cccc(F)c1 c1ccc(nc1)[*:1] O=C(N[*:1])c1cc2ccc(O)cc2o/c1=[NH+]\c1cccc(F)c1
CC(C)C[C@H](C)[NH2+][C@@H](CO)c1ccc(Cl)cc1 CC(C)[*:1] C[C@@H](C[*:1])[NH2+][C@@H](CO)c1ccc(Cl)cc1
CC(C)C[C@H](C)[NH2+][C@@H](CO)c1ccc(Cl)cc1 CC(C)C[*:1] C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)[*:1]
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O CCNC(=O)[*:1] Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)[*:1]
COc1ccc(C(=O)NCC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)NCC(=O)N1C[C@@H]2CCCC[C@H]2C1
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 O=[N+]([O-])[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(cc2)[*:1])N1C[C@H]1CCCO1
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](N1C[C@H]1CCCO1)[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C1c2[nH]nc(c2[C@H](c2ccc(cc2)[N+](=O)[O-])N1C[C@H]1CCCO1)[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(cc2)[N+](=O)[O-])N1C[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(cc2)[N+](=O)[O-])N1[*:1]
Cc1ccc([C@@H]2C(=O)NC(=O)C[C@@H]2c2sccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccsc1[C@H]1CC(=O)NC(=O)[C@H]1[*:1]
Cc1ccc([C@@H]2C(=O)NC(=O)C[C@@H]2c2sccc2C)cc1 Cc1ccsc1[*:1] Cc1ccc(cc1)[C@@H]1C(=O)NC(=O)C[C@H]1[*:1]
COC(=O)C[C@@H](C)NC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 COC(=O)C[*:1] C[C@@H](NC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1)[*:1]
COC(=O)C[C@@H](C)NC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 COC(=O)[*:1] C[C@H](C[*:1])NC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1
CCS[C@@H]1CC[C@@H](NC(=O)Nc2cccn(Cc3ccccc3)c2=O)C1 c1ccc(cc1)C[*:1] CCS[C@@H]1CC[C@H](C1)NC(=O)Nc1cccn(c1=O)[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)Nc2cccn(Cc3ccccc3)c2=O)C1 CCS[*:1] O=C(Nc1cccn(Cc2ccccc2)c1=O)N[C@@H]1CC[C@H](C1)[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)Nc2cccn(Cc3ccccc3)c2=O)C1 c1ccc(cc1)[*:1] CCS[C@@H]1CC[C@H](C1)NC(=O)Nc1cccn(C[*:1])c1=O
C[C@@H]1CC(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N(C)CCCc1cc(n[nH]1)[*:1]
CCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F c1ccc(C[*:1])nc1 CCN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)[*:1]
CCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)c1ccccc1[N+](=O)[O-] COC(=O)[C@H](C)[*:1] C[C@H](S(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)c1ccccc1[N+](=O)[O-] COC(=O)[*:1] C[C@@H]([C@@H](C)[*:1])S(=O)(=O)c1ccccc1[N+](=O)[O-]
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)[C@H](C)[C@H](C)S(=O)(=O)c1ccccc1[*:1]
Cn1c(S[C@@H]2CCN(c3sccc3C#N)C2=O)nnc1C1CC1 N#Cc1ccsc1[*:1] Cn1c(nnc1C1CC1)S[C@@H]1CCN(C1=O)[*:1]
Cn1c(S[C@@H]2CCN(c3sccc3C#N)C2=O)nnc1C1CC1 C1CC1[*:1] Cn1c(nnc1[*:1])S[C@@H]1CCN(C1=O)c1sccc1C#N
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@H]1C[C@H]1C)C2=O C[C@@H]1C[C@@H]1NC(=O)[*:1] C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[*:1])C2=O
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@H]1C[C@H]1C)C2=O C[C@@H]1C[C@@H]1[*:1] C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[*:1])C2=O
C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)Cc1ccccc1[*:1])c1cc2ccccc2o1
C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 O=[N+]([O-])[*:1] C[C@@H](CNC(=O)c1ccc(N)c(c1)[*:1])Oc1ccc(F)cc1
C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1ccc(N)c(c1)[N+](=O)[O-])O[*:1]
C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C[C@@H](CNC(=O)c1ccc(N)c(c1)[N+](=O)[O-])[*:1]
Cc1cccc(-c2noc(N(/N=C/c3c(Cl)cccc3Cl)C(=O)[O-])n2)c1 Clc1cccc(Cl)c1[*:1] Cc1cccc(c1)-c1noc(n1)N(N=C[*:1])C(=O)[O-]
Cc1cccc(-c2noc(N(/N=C/c3c(Cl)cccc3Cl)C(=O)[O-])n2)c1 Cc1cccc(c1)[*:1] O=C([O-])N(/N=C/c1c(Cl)cccc1Cl)c1nc(no1)[*:1]
CC1(C)CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1 C1CO[C@@H](C1)[*:1] CC1(C)CCN(C1)C(=O)c1ccc(cc1)OC[*:1]
CC1(C)CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1 C1CO[C@@H](C1)CO[*:1] CC1(C)CCN(C1)C(=O)c1ccc(cc1)[*:1]
CC1(C)CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1 C1CO[C@@H](C1)C[*:1] CC1(C)CCN(C1)C(=O)c1ccc(cc1)O[*:1]
CCOc1cccc2n[nH]/c(=N\C(=O)Nc3ccccc3)n12 c1ccc(cc1)[*:1] CCOc1cccc2n[nH]/c(=N\C(=O)N[*:1])n12
CCOc1cccc2n[nH]/c(=N\C(=O)Nc3ccccc3)n12 CCO[*:1] O=C(/N=c1\[nH]nc2cccc(n12)[*:1])Nc1ccccc1
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(C)c(F)c2)c(=O)[nH]c1=O CCC[*:1] Cc1ccc(cc1F)C(=O)N(Cc1ccco1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(C)c(F)c2)c(=O)[nH]c1=O Cc1ccc(cc1F)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(Cc1ccco1)C(=O)[*:1]
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(C)c(F)c2)c(=O)[nH]c1=O CCCC[*:1] Cc1ccc(cc1F)C(=O)N(Cc1ccco1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(C)c(F)c2)c(=O)[nH]c1=O c1coc(c1)C[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C(=O)c1ccc(C)c(F)c1)[*:1]
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(C)c(F)c2)c(=O)[nH]c1=O c1coc(c1)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C[*:1])C(=O)c1ccc(C)c(F)c1
COC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cccc3s2)cc1 COC(=O)[*:1] Cc1cccc2sc(nc12)N(Cc1cccnc1)C(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cccc3s2)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1cccc2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
COC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cccc3s2)cc1 c1cncc(c1)C[*:1] COC(=O)c1ccc(cc1)C(=O)N(c1nc2c(C)cccc2s1)[*:1]
COC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cccc3s2)cc1 Cc1cccc2sc(nc12)[*:1] COC(=O)c1ccc(cc1)C(=O)N(Cc1cccnc1)[*:1]
COC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cccc3s2)cc1 c1cncc(c1)[*:1] COC(=O)c1ccc(cc1)C(=O)N(C[*:1])c1nc2c(C)cccc2s1
Cc1ccc(C(=O)N[C@@H](C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)N1CCN(CC1)[C@@H](C#N)[*:1])C(C)C
Cc1ccc(C(=O)N[C@@H](C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)N1CCN(CC1)[C@@H](C#N)C(C)C)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCN(CC1)[C@@H](C#N)C(C)C
O=C(CCc1ccco1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O O[C@H]1CCCC[C@@H]1[*:1] O=C(CCc1ccco1)N1CCC[C@H]1[*:1]
O=C(CCc1ccco1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O c1coc(c1)CC[*:1] O=C(N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)[*:1]
O=C(CCc1ccco1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O c1coc(c1)[*:1] O=C(CC[*:1])N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O
O=C(CCc1ccco1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O c1coc(c1)C[*:1] O=C(C[*:1])N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O
COc1cc2c(cc1OC)C(c1cc(-c3cc(Cl)ccc3Cl)oc1C)=[NH+]CC2 Clc1ccc(Cl)c(c1)[*:1] COc1cc2CC[NH+]=C(c2cc1OC)c1cc(oc1C)[*:1]
CCc1ccccc1OCC(C)(C)C(=O)NN NNC(=O)[*:1] CCc1ccccc1OCC(C)(C)[*:1]
CC[C@H](C)N1C(N)=[NH+]C[C@]12CCO[C@H](C)C2 CC[C@H](C)[*:1] C[C@@H]1C[C@]2(CCO1)C[NH+]=C(N)N2[*:1]
Cc1ccc(-c2nnc(COc3ccc4oc5ccccc5c4c3)o2)o1 Cc1ccc(o1)[*:1] c1ccc2c(c1)oc1ccc(cc12)OCc1nnc(o1)[*:1]
Cc1cc(C)c(CCNC(=O)CSCC(N)=O)c(C)c1 NC(=O)[*:1] Cc1cc(C)c(CCNC(=O)CSC[*:1])c(C)c1
Cc1cc(C)c(CCNC(=O)CSCC(N)=O)c(C)c1 NC(=O)CS[*:1] Cc1cc(C)c(CCNC(=O)C[*:1])c(C)c1
Cc1cc(C)c(CCNC(=O)CSCC(N)=O)c(C)c1 NC(=O)CSC[*:1] Cc1cc(C)c(CCNC(=O)[*:1])c(C)c1
Cc1cc(C)c(CCNC(=O)CSCC(N)=O)c(C)c1 NC(=O)C[*:1] Cc1cc(C)c(CCNC(=O)CS[*:1])c(C)c1
COc1ccccc1[C@H]1CCCN1S(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@H]1CCCN1S(=O)(=O)C[*:1]
COc1ccccc1[C@H]1CCCN1S(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccccc1[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 C1CCC(C1)[*:1] Cc1c(nnn1-c1cccc2CN(CCc21)C(=O)NC(C)C)C(=O)N[*:1]
Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 O=C(NC1CCCC1)[*:1] Cc1c(nnn1-c1cccc2CN(CCc21)C(=O)NC(C)C)[*:1]
Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 CC(C)[*:1] Cc1c(nnn1-c1cccc2CN(CCc21)C(=O)N[*:1])C(=O)NC1CCCC1
CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)n2nc(-c3cccc(Cl)c3)nc2N1 Clc1ccc(cc1)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(N)=O)[*:1])-c1cccc(Cl)c1
CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)n2nc(-c3cccc(Cl)c3)nc2N1 NC(=O)[*:1] CC1Nc2nc(nn2[C@H](C=1[*:1])c1ccc(Cl)cc1)-c1cccc(Cl)c1
CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)n2nc(-c3cccc(Cl)c3)nc2N1 Clc1cccc(c1)[*:1] CC1Nc2nc(nn2[C@H](C=1C(N)=O)c1ccc(Cl)cc1)[*:1]
COc1ccc(-c2cccc(/C=C\C(=O)[O-])c2)c(Cl)c1OC O=C([O-])[*:1] COc1ccc(-c2cccc(C=C[*:1])c2)c(Cl)c1OC
COc1ccc(-c2cccc(/C=C\C(=O)[O-])c2)c(Cl)c1OC O=C([O-])C=C[*:1] COc1ccc(-c2cccc(c2)[*:1])c(Cl)c1OC
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@@H]1CN(C2CC2)CCO1 C1CC1[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@@H]1CN(CCO1)[*:1]
Cc1ccc(NC(=O)c2ccc(N(C)C3CCOCC3)nc2)cc1 C1CC(CCO1)[*:1] Cc1ccc(cc1)NC(=O)c1ccc(nc1)N(C)[*:1]
Cc1ccc(NC(=O)c2ccc(N(C)C3CCOCC3)nc2)cc1 Cc1ccc(cc1)[*:1] CN(c1ccc(cn1)C(=O)N[*:1])C1CCOCC1
Cc1ccc(NC(=O)c2ccc(N(C)C3CCOCC3)nc2)cc1 CN(C1CCOCC1)[*:1] Cc1ccc(cc1)NC(=O)c1ccc(nc1)[*:1]
CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H](C)C2CC2)CC1 C1CC1[*:1] CC[NH+]1CCN(CC1)Cc1ccccc1CNC(=O)N[C@H](C)[*:1]
CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H](C)C2CC2)CC1 C[C@H](C1CC1)[*:1] CC[NH+]1CCN(CC1)Cc1ccccc1CNC(=O)N[*:1]
C[C@H]([NH2+][C@@H]1CCOC1)c1cccc(OCC[NH+](C)C)c1 C[NH+](C)CCO[*:1] C[C@H]([NH2+][C@@H]1CCOC1)c1cccc(c1)[*:1]
Fc1cc(Br)ccc1NC(=S)NCc1cccs1 c1csc(c1)[*:1] Fc1cc(Br)ccc1NC(=S)NC[*:1]
Fc1cc(Br)ccc1NC(=S)NCc1cccs1 c1csc(c1)C[*:1] Fc1cc(Br)ccc1NC(=S)N[*:1]
CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(F)cc3F)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 Fc1ccc(c(F)c1)[*:1] CC1(C)O[C@@H]2O[C@@H](C(=O)N[*:1])[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1
Cc1cc(C)cc(NC(=O)C(=O)N[C@H](C)c2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)N[C@H](C)[*:1]
Cc1csc(CNC[C@H](C)c2nc3ccccc3o2)n1 Cc1csc(n1)[*:1] C[C@@H](CNC[*:1])c1nc2ccccc2o1
COc1ccc([C@@H](C)NC(=O)CNC(C)=O)c(OC)c1 CC(=O)N[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC(=O)C[*:1]
COc1ccc([C@@H](C)NC(=O)CNC(C)=O)c(OC)c1 CC(=O)NC[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC(=O)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N(C)Cc1ccc(F)cc1Cl CC(C)OC(=O)[*:1] C[C@H](CNC(=O)N(C)Cc1ccc(F)cc1Cl)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N(C)Cc1ccc(F)cc1Cl CC(C)[*:1] C[C@H](CNC(=O)N(C)Cc1ccc(F)cc1Cl)C(=O)O[*:1]
CSCC[C@@H]1N=NC2=C1CN(C(=O)c1csc(C(C)C)n1)CC2 CSC[*:1] CC(C)c1nc(cs1)C(=O)N1CCC2N=N[C@@H](C[*:1])C=2C1
CSCC[C@@H]1N=NC2=C1CN(C(=O)c1csc(C(C)C)n1)CC2 CC(C)[*:1] CSCC[C@@H]1N=NC2CCN(CC=21)C(=O)c1csc(n1)[*:1]
CSCC[C@@H]1N=NC2=C1CN(C(=O)c1csc(C(C)C)n1)CC2 CSCC[*:1] CC(C)c1nc(cs1)C(=O)N1CCC2N=N[C@H](C=2C1)[*:1]
COCc1cc(C(=O)N(C)C2CCCCC2)no1 COC[*:1] CN(C(=O)c1cc(on1)[*:1])C1CCCCC1
COCc1cc(C(=O)N(C)C2CCCCC2)no1 C1CCC(CC1)[*:1] COCc1cc(no1)C(=O)N(C)[*:1]
COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 COC(=O)c1ccc(cc1)[*:1] COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1[*:1]
COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 COCC[*:1] COC(=O)c1ccc(cc1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 COC(=O)[*:1] COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(cc1)[*:1]
COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 COC[*:1] COC(=O)c1ccc(cc1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1C[*:1]
O=C(NC1CCCCCCC1)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 c1ccc(cc1)C[*:1] O=C(NC1CCCCCCC1)C1CCN(CC1)c1nc2cccnc2n(c1=O)[*:1]
O=C(NC1CCCCCCC1)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 c1ccc(cc1)[*:1] O=C(NC1CCCCCCC1)C1CCN(CC1)c1nc2cccnc2n(C[*:1])c1=O
O=C(NC1CCCCCCC1)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 O=C(NC1CCCCCCC1)[*:1] O=c1c(nc2cccnc2n1Cc1ccccc1)N1CCC(CC1)[*:1]
O=C(NC1CCCCCCC1)C1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 C1CCCC(CCC1)[*:1] O=C(N[*:1])C1CCN(CC1)c1nc2cccnc2n(Cc2ccccc2)c1=O
C[C@H](CNC(=O)N1CCCN(CC(F)F)CC1)c1ccsc1 C[C@H](c1ccsc1)[*:1] O=C(NC[*:1])N1CCCN(CC1)CC(F)F
C[C@H](CNC(=O)N1CCCN(CC(F)F)CC1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)N1CCCN(CC1)CC(F)F)[*:1]
C[C@H](CNC(=O)N1CCCN(CC(F)F)CC1)c1ccsc1 FC(F)C[*:1] C[C@H](CNC(=O)N1CCCN(CC1)[*:1])c1ccsc1
C[C@H](CNC(=O)N1CCCN(CC(F)F)CC1)c1ccsc1 FC(F)[*:1] C[C@H](CNC(=O)N1CCCN(CC1)C[*:1])c1ccsc1
O=C(CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)NC1CC1 O=C(NC1CC1)[*:1] c1ccc(cc1)-c1nccc(n1)N1CCN(CC1)C[*:1]
O=C(CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)c1ccnc(n1)-c1ccccc1)N[*:1]
O=C(CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)NC1CC1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)c1ccnc(n1)[*:1])NC1CC1
O=C(CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)NC1CC1 O=C(C[*:1])NC1CC1 c1ccc(cc1)-c1nccc(n1)N1CCN(CC1)[*:1]
Cc1cccc(C(=O)Nc2cc(NC(=O)Cn3nc(C)cc3C)ccc2C)c1 Cc1cc(C)n(n1)[*:1] Cc1cccc(c1)C(=O)Nc1cc(ccc1C)NC(=O)C[*:1]
Cc1cccc(C(=O)Nc2cc(NC(=O)Cn3nc(C)cc3C)ccc2C)c1 Cc1cc(C)n(C[*:1])n1 Cc1cccc(c1)C(=O)Nc1cc(ccc1C)NC(=O)[*:1]
Cc1cccc(C(=O)Nc2cc(NC(=O)Cn3nc(C)cc3C)ccc2C)c1 Cc1cccc(c1)[*:1] Cc1cc(C)n(CC(=O)Nc2ccc(C)c(c2)NC(=O)[*:1])n1
CSc1ccc(C[NH2+][C@H](C)[C@H](C)CO)cc1 C[C@H](CO)[*:1] CSc1ccc(cc1)C[NH2+][C@H](C)[*:1]
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(C)CCCC2)c1 CC1(CCCC1)C(=O)N[*:1] CN1CCCCC/C1=N\S(=O)(=O)c1cccc(c1)[*:1]
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(C)CCCC2)c1 CC1(CCCC1)[*:1] CN1CCCCC/C1=N\S(=O)(=O)c1cccc(c1)NC(=O)[*:1]
CCOc1c(Cl)cc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])C[NH2+]Cc1ccc2OCCOc2c1
COc1ccc(Br)cc1CNc1cnccc1-n1cc(C)cn1 Cc1cnn(c1)[*:1] COc1ccc(Br)cc1CNc1cnccc1[*:1]
Cc1ccc(N2CCCC2=O)c(C(=O)Nc2cccc(-n3cnnn3)c2)c1 O=C1CCCN1[*:1] Cc1ccc(c(c1)C(=O)Nc1cccc(c1)-n1cnnn1)[*:1]
Cc1ccc(N2CCCC2=O)c(C(=O)Nc2cccc(-n3cnnn3)c2)c1 c1nnnn1[*:1] Cc1ccc(c(c1)C(=O)Nc1cccc(c1)[*:1])N1CCCC1=O
Cc1ccc(N2C[C@H](C(=O)NCCCN3CCCC3=O)CC2=O)cc1 O=C1CCCN1C[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCC[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCCN3CCCC3=O)CC2=O)cc1 O=C1CCCN1[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCCC[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCCN3CCCC3=O)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCCCN1CCCC1=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCCN3CCCC3=O)CC2=O)cc1 O=C1CCCN1CC[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc2c(C)n[nH]c2c1 CCC=C(C)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[C@H]1CSCN1C(=O)[*:1]
C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC(C)(C)C1 C[C@H]1C[C@H](CC(C)(C)C1)[*:1] O[C@@H](CO[*:1])C[NH+]1CCN(CC1)c1cccc(Cl)c1
C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC(C)(C)C1 Clc1cccc(c1)[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)OC[C@H](O)C[NH+]1CCN(CC1)[*:1]
CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O CCC(=O)N[*:1] O=C(Cn1c(=O)c(nc2ccccc21)-c1ccccc1[*:1])Nc1cccc(c1)C(F)(F)F
CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O CCC(=O)Nc1ccccc1[*:1] O=C(Cn1c(=O)c(nc2ccccc21)[*:1])Nc1cccc(c1)C(F)(F)F
CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O FC(F)(F)[*:1] CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(c2)[*:1])c1=O
CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O FC(F)(F)c1cccc(c1)[*:1] CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)N[*:1])c1=O
O=C(NCCC(=O)N1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 O=[N+]([O-])[*:1] O=C(NCCC(=O)N1CCCCC1)c1ccc(c(O)c1)[*:1]
COc1ccc(S(=O)(=O)N=C2NCN(CCC3=CCCCC3)CN2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N=C1NCN(CCC2=CCCCC2)CN1)[*:1]
Cc1c(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)oc2c1C(=O)CCC2 c1ccc(cc1)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N[C@H]1C[C@H](C)N(C1)[*:1]
CC[C@@H]1c2ccsc2CCN1Cc1c[nH]nc1-c1cccs1 c1csc(c1)[*:1] CC[C@@H]1c2ccsc2CCN1Cc1c[nH]nc1[*:1]
O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(I)c2)c1 O=C([O-])[*:1] O=S(=O)(Nc1cccc(I)c1)c1cccc(c1)[*:1]
CCc1nncn1CCNC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 CCc1nncn1CC[*:1] CC1(C)CN(CCN1Cc1ccccc1)C(=O)N[*:1]
CCc1nncn1CCNC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 CCc1nncn1C[*:1] CC1(C)CN(CCN1Cc1ccccc1)C(=O)NC[*:1]
CCc1nncn1CCNC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 c1ccc(cc1)C[*:1] CCc1nncn1CCNC(=O)N1CCN(C(C)(C)C1)[*:1]
CCc1nncn1CCNC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 CCc1nncn1[*:1] CC1(C)CN(CCN1Cc1ccccc1)C(=O)NCC[*:1]
CCc1nncn1CCNC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 c1ccc(cc1)[*:1] CCc1nncn1CCNC(=O)N1CCN(C[*:1])C(C)(C)C1
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](NCC#N)CC[C@H]12 N#CC[*:1] C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](CC[C@H]12)N[*:1]
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](NCC#N)CC[C@H]12 N#CCN[*:1] C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@H]2[*:1]
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 Cc1noc(C)c1C[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1cc2ccccc2cc1O[*:1]
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 Cc1noc(C)c1CO[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1cc2ccccc2cc1[*:1]
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 Cc1noc(C)c1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1cc2ccccc2cc1OC[*:1]
CCC(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 C1CCCN(CC1)[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)NCc1ccc([nH+]c1)[*:1]
CCC(=O)Nc1ccc(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 CCC(=O)N[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCCC1)Nc1ccc(cc1)[*:1]
Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] Cc1cc(=O)[nH]c(n1)SCC(=O)Nc1cc(cc(c1)[*:1])C(F)(F)F
Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 Cc1cc(=O)[nH]c(n1)[*:1] O=C(CS[*:1])Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 Cc1cc(=O)[nH]c(n1)S[*:1] O=C(C[*:1])Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Cn1nc(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n(-c2ccccc2)c1=O O=[N+]([O-])c1ccccc1[*:1] Cn1nc(C2CCN(CC2)C(=O)[*:1])n(-c2ccccc2)c1=O
Cn1nc(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n(-c2ccccc2)c1=O O=[N+]([O-])[*:1] Cn1nc(C2CCN(CC2)C(=O)c2ccccc2[*:1])n(-c2ccccc2)c1=O
Cn1nc(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc(C2CCN(CC2)C(=O)c2ccccc2[N+](=O)[O-])n(c1=O)[*:1]
Cn1c(C2CC2)nc2cc(NC(=O)C(=O)N[C@@H]3CC=CCC3)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)N[C@@H]1CC=CCC1)[*:1]
Cc1cc(NC(=O)CSc2ncn(-c3ccccc3)n2)n(C(C)(C)C)n1 CC(C)(C)[*:1] Cc1cc(NC(=O)CSc2ncn(n2)-c2ccccc2)n(n1)[*:1]
Cc1cc(NC(=O)CSc2ncn(-c3ccccc3)n2)n(C(C)(C)C)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CSc2ncn(n2)[*:1])n(n1)C(C)(C)C
CC(C)n1cc2cc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3O)ccc2n1 CC(C)[*:1] O=C(Nc1ccc2nn(cc2c1)[*:1])C(=O)N[C@H]1CCCC[C@@H]1O
O=C1[C@@H]2[C@H](C(=O)N1/N=C\c1ccc(-c3cccc(Cl)c3Cl)o1)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 Clc1cccc(c1Cl)[*:1] O=C1[C@@H]2[C@H](C(=O)N1/N=C\c1ccc(o1)[*:1])[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
Oc1ccccc1-c1nc2cnccn2c1NC1CCCC1 Oc1ccccc1[*:1] c1cn2c(NC3CCCC3)c(nc2cn1)[*:1]
Oc1ccccc1-c1nc2cnccn2c1NC1CCCC1 C1CCC(C1)[*:1] Oc1ccccc1-c1nc2cnccn2c1N[*:1]
Oc1ccccc1-c1nc2cnccn2c1NC1CCCC1 C1CCC(C1)N[*:1] Oc1ccccc1-c1nc2cnccn2c1[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)o1 Cc1ccc(o1)[*:1] C[C@H]1CCC[C@H](C1)OCc1cccc(c1)NC(=O)C(=O)N[C@H](C)[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)o1 Cc1ccc(o1)[C@@H](C)[*:1] C[C@H]1CCC[C@H](C1)OCc1cccc(c1)NC(=O)C(=O)N[*:1]
O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1[*:1]
O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1c1cccc(F)c1 O=S1(=O)CC[C@H](C1)[*:1] O=C(NC[*:1])N1CCC[C@@H]1c1cccc(F)c1
Cc1ccc(C)[n+](/N=C\c2ccc(N(C)C)cc2)c1 CN(C)[*:1] Cc1ccc(C)[n+](c1)/N=C\c1ccc(cc1)[*:1]
Cc1cc(NC(=O)CSCc2csc(-c3ccco3)n2)no1 c1coc(c1)[*:1] Cc1cc(no1)NC(=O)CSCc1csc(n1)[*:1]
Cc1cc(NC(=O)CSCc2csc(-c3ccco3)n2)no1 Cc1cc(no1)[*:1] O=C(CSCc1csc(n1)-c1ccco1)N[*:1]
[O-]/C(=N\c1ccc(Br)cn1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F FC(F)(F)O[*:1] [O-]/C(=N\c1ccc(Br)cn1)C(F)(F)OC(F)(F)C(F)(F)[*:1]
[O-]/C(=N\c1ccc(Br)cn1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F Brc1ccc(nc1)[*:1] [O-]C(=N[*:1])C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
[O-]/C(=N\c1ccc(Br)cn1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F FC(F)(F)[*:1] [O-]/C(=N\c1ccc(Br)cn1)C(F)(F)OC(F)(F)C(F)(F)O[*:1]
[O-]/C(=N\c1ccc(Br)cn1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F FC(F)(F)OC(F)(F)[*:1] [O-]/C(=N\c1ccc(Br)cn1)C(F)(F)OC(F)(F)[*:1]
COc1ccccc1/C=C/C[NH2+][C@H](c1ccc(Cl)cc1)c1noc(C)n1 COc1ccccc1[*:1] Cc1nc(no1)[C@H]([NH2+]CC=C[*:1])c1ccc(Cl)cc1
COc1ccccc1/C=C/C[NH2+][C@H](c1ccc(Cl)cc1)c1noc(C)n1 Clc1ccc(cc1)[*:1] COc1ccccc1/C=C/C[NH2+][C@H](c1noc(C)n1)[*:1]
C[C@@H](C(=O)NCc1cccc(OCC(F)F)n1)N1CC[NH+](C)CC1 FC(F)[*:1] C[C@@H](C(=O)NCc1cccc(n1)OC[*:1])N1CC[NH+](C)CC1
C[C@@H](C(=O)NCc1cccc(OCC(F)F)n1)N1CC[NH+](C)CC1 FC(F)CO[*:1] C[C@@H](C(=O)NCc1cccc(n1)[*:1])N1CC[NH+](C)CC1
C[C@@H](C(=O)NCc1cccc(OCC(F)F)n1)N1CC[NH+](C)CC1 FC(F)C[*:1] C[C@@H](C(=O)NCc1cccc(n1)O[*:1])N1CC[NH+](C)CC1
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(c1)[*:1]
Cc1cc(C)nc(-n2nc(C)c(CC(=O)Oc3cccnc3Br)c2C)n1 Cc1cc(C)nc(n1)[*:1] Cc1nn(c(C)c1CC(=O)Oc1cccnc1Br)[*:1]
Cc1cc(C)nc(-n2nc(C)c(CC(=O)Oc3cccnc3Br)c2C)n1 Brc1ncccc1[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(CC(=O)O[*:1])c1C
O=S(=O)(N/N=C\c1cccc(OCc2ccc(F)cc2Cl)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(N/N=C\c1cccc(c1)OCc1ccc(F)cc1Cl)[*:1]
O=S(=O)(N/N=C\c1cccc(OCc2ccc(F)cc2Cl)c1)c1ccc(F)cc1 Fc1ccc(c(Cl)c1)[*:1] O=S(=O)(N/N=C\c1cccc(c1)OC[*:1])c1ccc(F)cc1
O=S(=O)(N/N=C\c1cccc(OCc2ccc(F)cc2Cl)c1)c1ccc(F)cc1 Fc1ccc(C[*:1])c(Cl)c1 O=S(=O)(N/N=C\c1cccc(c1)O[*:1])c1ccc(F)cc1
CCOC(=O)c1cnc(SCC(=O)NC(C)(C)C)nc1N CC(C)(C)NC(=O)[*:1] CCOC(=O)c1cnc(nc1N)SC[*:1]
CCOC(=O)c1cnc(SCC(=O)NC(C)(C)C)nc1N CC(C)(C)[*:1] CCOC(=O)c1cnc(nc1N)SCC(=O)N[*:1]
CCOC(=O)c1cnc(SCC(=O)NC(C)(C)C)nc1N CCOC(=O)[*:1] CC(C)(C)NC(=O)CSc1ncc(c(N)n1)[*:1]
CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 CCC[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1)[*:1]
CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 Ic1cccc(c1)[*:1] CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CCCn1c(CC(C)(C)C)nc2ccccc21 CCC[*:1] CC(C)(C)Cc1nc2ccccc2n1[*:1]
CCCn1c(CC(C)(C)C)nc2ccccc21 CC(C)(C)[*:1] CCCn1c(C[*:1])nc2ccccc21
CCCn1c(CC(C)(C)C)nc2ccccc21 CC(C)(C)C[*:1] CCCn1c(nc2ccccc21)[*:1]
C[C@@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)[*:1]
C[C@@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)c1ccc(Cl)s1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)NC[C@H](O)[*:1])c1ccc(Cl)s1
CC1=C(C(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](c2cccnc2)n2nc(C)nc2N1 c1cncc(c1)[*:1] CC1Nc2nc(C)nn2[C@@H](C=1C(=O)Nc1ccc(cc1)Oc1ccccc1)[*:1]
CC1=C(C(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](c2cccnc2)n2nc(C)nc2N1 c1ccc(cc1)[*:1] CC1Nc2nc(C)nn2[C@H](C=1C(=O)Nc1ccc(cc1)O[*:1])c1cccnc1
CC1=C(C(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](c2cccnc2)n2nc(C)nc2N1 c1ccc(cc1)O[*:1] CC1Nc2nc(C)nn2[C@H](C=1C(=O)Nc1ccc(cc1)[*:1])c1cccnc1
Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc[nH+]c1N1CCOCC1 Cc1ccccc1[*:1] C[C@@H](NC(=O)Nc1ccc[nH+]c1N1CCOCC1)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc[nH+]c1N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc[nH+]c1[*:1]
CN(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 CN(C)NC(=O)[*:1] O=S(=O)(c1ccccc1)N1CCC(CC1)[*:1]
CN(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)[S@@](=O)c1ccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)cc1 CC(C)[S@@](=O)[*:1] NC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(cc1)[*:1]
CC(C)[S@@](=O)c1ccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)cc1 NC(=O)N[*:1] CC(C)[S@@](=O)c1ccc(cc1)C(=O)N1CCCC[C@@H]1C[*:1]
CC(C)[S@@](=O)c1ccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)cc1 CC(C)[*:1] NC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(cc1)[S@](=O)[*:1]
CC(C)[S@@](=O)c1ccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)cc1 NC(=O)NC[*:1] CC(C)[S@@](=O)c1ccc(cc1)C(=O)N1CCCC[C@H]1[*:1]
O=C(CC(c1ccccc1)c1ccccc1)N1CCC(Cn2cc[nH+]c2)CC1 c1ccc(cc1)[*:1] O=C(CC(c1ccccc1)[*:1])N1CCC(CC1)Cn1cc[nH+]c1
CCCc1cc([O-])nc(-n2nc(C)cc2NC(=O)c2ccccc2SCC)n1 CCSc1ccccc1[*:1] CCCc1cc([O-])nc(n1)-n1nc(C)cc1NC(=O)[*:1]
CCCc1cc([O-])nc(-n2nc(C)cc2NC(=O)c2ccccc2SCC)n1 CCC[*:1] CCSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc([O-])cc(n1)[*:1]
CCCc1cc([O-])nc(-n2nc(C)cc2NC(=O)c2ccccc2SCC)n1 CCS[*:1] CCCc1cc([O-])nc(n1)-n1nc(C)cc1NC(=O)c1ccccc1[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(N)=O)cc1F NC(=O)[*:1] CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(cc1F)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(N)=O)cc1F c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)Nc1ccc(cc1F)C(N)=O)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(N)=O)cc1F c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)Nc1ccc(cc1F)C(N)=O)C[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(N)=O)cc1F c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)Nc1ccc(cc1F)C(N)=O
O=C([O-])c1cccc2c(C(F)(F)F)cc(Br)nc12 FC(F)(F)[*:1] O=C([O-])c1cccc2c(cc(Br)nc12)[*:1]
O=C([O-])c1cccc2c(C(F)(F)F)cc(Br)nc12 O=C([O-])[*:1] FC(F)(F)c1cc(Br)nc2c(cccc12)[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)N1CC[C@@H]2CCCC[C@H]2C1 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])N1CC[C@@H]2CCCC[C@H]2C1
CC1=C[C@@H](C(=O)N/N=C/[C@@H]2[C@H](C)NN(c3ccccc3)[C@H]2Cl)N=N1 c1ccc(cc1)[*:1] CC1=C[C@H](N=N1)C(=O)N/N=C/[C@@H]1[C@H](C)NN([C@H]1Cl)[*:1]
COC(=O)[C@@H](N[C@H](C)c1ncc(C)s1)c1cccc(C#N)c1 COC(=O)[*:1] Cc1cnc(s1)[C@@H](C)N[C@@H](c1cccc(C#N)c1)[*:1]
COC(=O)[C@@H](N[C@H](C)c1ncc(C)s1)c1cccc(C#N)c1 Cc1cnc(s1)[*:1] COC(=O)[C@@H](N[C@H](C)[*:1])c1cccc(C#N)c1
CC[C@H]1CCCCN1c1cc(SCC(=O)N(C)c2ccccc2)ncn1 c1ccc(cc1)[*:1] CC[C@H]1CCCCN1c1cc(ncn1)SCC(=O)N(C)[*:1]
CC[C@H]1CCCCN1c1cc(SCC(=O)N(C)c2ccccc2)ncn1 CC[C@H]1CCCCN1[*:1] CN(C(=O)CSc1cc(ncn1)[*:1])c1ccccc1
C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](NC(=O)c1cc(Cl)c2OCCCOc2c1)C(=O)N[*:1]
C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](NC(=O)c1cc(Cl)c2OCCCOc2c1)[*:1]
Cc1ccsc1/C=C/C(=O)N[C@@H](c1ccccc1)c1nccn1C c1ccc(cc1)[*:1] Cc1ccsc1/C=C/C(=O)N[C@@H](c1nccn1C)[*:1]
Cc1ccsc1/C=C/C(=O)N[C@@H](c1ccccc1)c1nccn1C Cc1ccsc1C=C[*:1] Cn1ccnc1[C@@H](NC(=O)[*:1])c1ccccc1
Cc1ccsc1/C=C/C(=O)N[C@@H](c1ccccc1)c1nccn1C Cc1ccsc1[*:1] Cn1ccnc1[C@@H](NC(=O)C=C[*:1])c1ccccc1
Cc1ccsc1/C=C/C(=O)N[C@@H](c1ccccc1)c1nccn1C Cn1ccnc1[*:1] Cc1ccsc1/C=C/C(=O)N[C@@H](c1ccccc1)[*:1]
CCSCCC(=O)Nc1cnn(CC(=O)N(C)C)c1 CCSC[*:1] CN(C)C(=O)Cn1cc(cn1)NC(=O)C[*:1]
CCSCCC(=O)Nc1cnn(CC(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCSCCC(=O)Nc1cnn(c1)C[*:1]
CCSCCC(=O)Nc1cnn(CC(=O)N(C)C)c1 CCS[*:1] CN(C)C(=O)Cn1cc(cn1)NC(=O)CC[*:1]
CCSCCC(=O)Nc1cnn(CC(=O)N(C)C)c1 CCSCC[*:1] CN(C)C(=O)Cn1cc(cn1)NC(=O)[*:1]
CCSCCC(=O)Nc1cnn(CC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] CCSCCC(=O)Nc1cnn(c1)[*:1]
Cn1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cn2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(/C=C(/C#N)c2ccc(cn2)C(F)(F)F)c(n1)[*:1]
Cn1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cn2)c(C(C)(C)C)n1 FC(F)(F)[*:1] Cn1cc(/C=C(/C#N)c2ccc(cn2)[*:1])c(n1)C(C)(C)C
Cn1c(N2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc(=O)n(C)c1=O C1CO[C@@H](C1)[*:1] Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC1)C(=O)[*:1]
Cc1cc(C)c(NNC(=O)NC[C@H](C)Cn2nc(C)cc2C)c(C)c1 Cc1cc(C)n(n1)[*:1] Cc1cc(C)c(NNC(=O)NC[C@H](C)C[*:1])c(C)c1
Cc1cc(C)c(NNC(=O)NC[C@H](C)Cn2nc(C)cc2C)c(C)c1 Cc1cc(C)n(C[*:1])n1 Cc1cc(C)c(NNC(=O)NC[C@H](C)[*:1])c(C)c1
N#C/C(=C\c1c(F)cccc1Cl)S(=O)(=O)Cc1ccco1 c1coc(c1)C[*:1] N#C/C(=C\c1c(F)cccc1Cl)S(=O)(=O)[*:1]
N#C/C(=C\c1c(F)cccc1Cl)S(=O)(=O)Cc1ccco1 c1coc(c1)[*:1] N#C/C(=C\c1c(F)cccc1Cl)S(=O)(=O)C[*:1]
CN(C)C(=O)Cc1nc(-c2ccc(Cl)s2)cs1 CN(C)C(=O)[*:1] Clc1ccc(s1)-c1csc(C[*:1])n1
CC(=O)NC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 c1cnc(cn1)O[*:1] CC(=O)NC1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(=O)NC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 c1cnc(cn1)[*:1] CC(=O)NC1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
CC(=O)NC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 CC(=O)N[*:1] c1cnc(cn1)Oc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CC(C)[C@H](NC(=O)CCNC(=O)c1ccoc1)C(=O)[O-] CC(C)[*:1] O=C(CCNC(=O)c1ccoc1)N[C@H](C(=O)[O-])[*:1]
CC(C)[C@H](NC(=O)CCNC(=O)c1ccoc1)C(=O)[O-] c1cc(co1)[*:1] CC(C)[C@H](NC(=O)CCNC(=O)[*:1])C(=O)[O-]
CC(C)[C@H](NC(=O)CCNC(=O)c1ccoc1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NC(=O)CCNC(=O)c1ccoc1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 Fc1ccccc1[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1[*:1])c1cc2ccccc2o1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 c1ccc(cc1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccccc1F)[*:1])c1cc2ccccc2o1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1F)c1cc2ccccc2o1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2F)N1Cc1ccccc1
Cc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CN(c2nc3ccccc3nc21)[*:1]
Cc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CN(C[*:1])c2nc3ccccc3nc21
Cc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CN(Cc2ccco2)c2nc3ccccc3nc21)[*:1]
C[C@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)c1cccs1 O=C(N1CCOCC1)[*:1] C[C@H](C(=O)Nc1ccccc1[*:1])c1cccs1
C[C@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)[*:1]
O=C(Cn1ccnc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 c1cn(cn1)[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1
O=C(Cn1ccnc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 c1cn(cn1)C[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[*:1]
Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)c2nn(-c3ccccc3)c(C)c12 c1ccc(cc1)[*:1] Cc1nnc(c2nn(c(C)c12)[*:1])N1CCC(CC1)C(=O)N1CCCCC1
Cc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)c2nn(-c3ccccc3)c(C)c12 O=C(N1CCCCC1)[*:1] Cc1nnc(c2nn(-c3ccccc3)c(C)c12)N1CCC(CC1)[*:1]
COc1cccc(C=O)c1OC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1cccc(C=O)c1OC(=O)[*:1]
Cc1cc(CN(CCC#N)CCC(F)(F)F)ccc1Br FC(F)(F)[*:1] Cc1cc(ccc1Br)CN(CCC#N)CC[*:1]
Cc1cc(CN(CCC#N)CCC(F)(F)F)ccc1Br N#CCC[*:1] Cc1cc(ccc1Br)CN(CCC(F)(F)F)[*:1]
Cc1cc(CN(CCC#N)CCC(F)(F)F)ccc1Br FC(F)(F)C[*:1] Cc1cc(ccc1Br)CN(CCC#N)C[*:1]
Cc1cc(CN(CCC#N)CCC(F)(F)F)ccc1Br N#CC[*:1] Cc1cc(ccc1Br)CN(CCC(F)(F)F)C[*:1]
Cc1cc(CN(CCC#N)CCC(F)(F)F)ccc1Br FC(F)(F)CC[*:1] Cc1cc(ccc1Br)CN(CCC#N)[*:1]
COc1ccc2cc(NC(=O)CCc3ncc(-c4ccccc4)o3)cnc2c1 c1ccc(cc1)[*:1] COc1ccc2cc(cnc2c1)NC(=O)CCc1ncc(o1)[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH3+] CC(C)(C)[*:1] [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)O[*:1]
C[N+](C)(C)CCCNC(=O)/C(=N\O)c1ccccn1 C[N+](C)(C)C[*:1] O=C(NCC[*:1])/C(=N\O)c1ccccn1
C[N+](C)(C)CCCNC(=O)/C(=N\O)c1ccccn1 c1ccc(nc1)[*:1] C[N+](C)(C)CCCNC(=O)/C(=N\O)[*:1]
C[N+](C)(C)CCCNC(=O)/C(=N\O)c1ccccn1 C[N+](C)(C)CC[*:1] O=C(NC[*:1])/C(=N\O)c1ccccn1
C[N+](C)(C)CCCNC(=O)/C(=N\O)c1ccccn1 C[N+](C)(C)[*:1] O=C(NCCC[*:1])/C(=N\O)c1ccccn1
COc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)c3cccs3)c(=O)[nH]c2c1 c1csc(c1)[*:1] COc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)[*:1])c(=O)[nH]c2c1
COc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)c3cccs3)c(=O)[nH]c2c1 Clc1ccccc1C[*:1] COc1ccc2cc(CN(C(=O)c3cccs3)[*:1])c(=O)[nH]c2c1
COc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)c3cccs3)c(=O)[nH]c2c1 Clc1ccccc1[*:1] COc1ccc2cc(CN(C[*:1])C(=O)c3cccs3)c(=O)[nH]c2c1
NC(=O)C1CCN(Cc2nc3c(F)cccc3[nH]2)CC1 NC(=O)[*:1] Fc1cccc2[nH]c(CN3CCC(CC3)[*:1])nc12
Cc1c(C(=O)N(C)CCCS(C)(=O)=O)cnn1Cc1ccccc1 CS(=O)(=O)CCC[*:1] Cc1c(cnn1Cc1ccccc1)C(=O)N(C)[*:1]
Cc1c(C(=O)N(C)CCCS(C)(=O)=O)cnn1Cc1ccccc1 CS(=O)(=O)CC[*:1] Cc1c(cnn1Cc1ccccc1)C(=O)N(C)C[*:1]
Cc1c(C(=O)N(C)CCCS(C)(=O)=O)cnn1Cc1ccccc1 CS(=O)(=O)[*:1] Cc1c(cnn1Cc1ccccc1)C(=O)N(C)CCC[*:1]
Cc1c(C(=O)N(C)CCCS(C)(=O)=O)cnn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1c(cnn1[*:1])C(=O)N(C)CCCS(C)(=O)=O
Cc1c(C(=O)N(C)CCCS(C)(=O)=O)cnn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1C[*:1])C(=O)N(C)CCCS(C)(=O)=O
Cc1c(C(=O)N(C)CCCS(C)(=O)=O)cnn1Cc1ccccc1 CS(=O)(=O)C[*:1] Cc1c(cnn1Cc1ccccc1)C(=O)N(C)CC[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cl)cn1 CCCC[*:1] O=C(Nc1ccc(Cl)cn1)[C@@H]1CSCN1C(=O)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cl)cn1 CCC[*:1] O=C(Nc1ccc(Cl)cn1)[C@@H]1CSCN1C(=O)C[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] CCCCC(=O)N1CSC[C@H]1C(=O)N[*:1]
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)s1 CC=C[*:1] CNS(=O)(=O)c1ccc(CNC(=O)C=C[*:1])s1
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)s1 CNS(=O)(=O)[*:1] C/C=C/C=C/C(=O)NCc1ccc(s1)[*:1]
C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)s1 C/C=C/C=C[*:1] CNS(=O)(=O)c1ccc(CNC(=O)[*:1])s1
CC(C)NC(=O)[C@@H]1CCCCC[C@H]1[NH3+] CC(C)[*:1] [NH3+][C@@H]1CCCCC[C@H]1C(=O)N[*:1]
CC(C)(C)c1cc(NC(=O)C(=O)NCc2ccnc(OC3CCC3)c2)no1 C1CC(C1)[*:1] CC(C)(C)c1cc(no1)NC(=O)C(=O)NCc1ccnc(c1)O[*:1]
CC(C)(C)c1cc(NC(=O)C(=O)NCc2ccnc(OC3CCC3)c2)no1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)OC1CCC1)C(=O)Nc1cc(on1)[*:1]
CC(C)(C)c1cc(NC(=O)C(=O)NCc2ccnc(OC3CCC3)c2)no1 C1CC(C1)O[*:1] CC(C)(C)c1cc(no1)NC(=O)C(=O)NCc1ccnc(c1)[*:1]
CC(C)(C)c1cc(NC(=O)C(=O)NCc2ccnc(OC3CCC3)c2)no1 CC(C)(C)c1cc(no1)[*:1] O=C(NCc1ccnc(c1)OC1CCC1)C(=O)N[*:1]
OC[C@H](Cc1ccc(Cl)cc1)N1CN[C@H](c2ccccc2)[C@H]1c1[nH]cc[nH+]1 c1ccc(cc1)[*:1] OC[C@H](Cc1ccc(Cl)cc1)N1CN[C@H]([C@H]1c1[nH]cc[nH+]1)[*:1]
OC[C@H](Cc1ccc(Cl)cc1)N1CN[C@H](c2ccccc2)[C@H]1c1[nH]cc[nH+]1 Clc1ccc(cc1)[*:1] OC[C@H](C[*:1])N1CN[C@H](c2ccccc2)[C@H]1c1[nH]cc[nH+]1
OC[C@H](Cc1ccc(Cl)cc1)N1CN[C@H](c2ccccc2)[C@H]1c1[nH]cc[nH+]1 Clc1ccc(cc1)C[*:1] OC[C@H](N1CN[C@H](c2ccccc2)[C@H]1c1[nH]cc[nH+]1)[*:1]
CNC(=O)NCC(=O)Nc1ccc(OC2CCCC2)cc1 CNC(=O)NC[*:1] O=C(Nc1ccc(cc1)OC1CCCC1)[*:1]
CNC(=O)NCC(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] CNC(=O)NCC(=O)Nc1ccc(cc1)[*:1]
CNC(=O)NCC(=O)Nc1ccc(OC2CCCC2)cc1 CNC(=O)N[*:1] O=C(C[*:1])Nc1ccc(cc1)OC1CCCC1
CNC(=O)NCC(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] CNC(=O)NCC(=O)Nc1ccc(cc1)O[*:1]
Clc1ccc(Br)cc1C1CC1 C1CC1[*:1] Clc1ccc(Br)cc1[*:1]
Cc1nn(C)cc1[C@H](C)NS(=O)(=O)/C=C/c1ccc(Cl)cc1 Cc1nn(C)cc1[*:1] C[C@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)[*:1]
Cc1nn(C)cc1[C@H](C)NS(=O)(=O)/C=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn(C)cc1[C@H](C)NS(=O)(=O)C=C[*:1]
CCC(=O)c1ccc(OCC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)cc1 CCC(=O)[*:1] O=C(c1ccccn1)[C@@H]1CCCN(C1)C(=O)COc1ccc(cc1)[*:1]
CCC(=O)c1ccc(OCC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)cc1 O=C(c1ccccn1)[*:1] CCC(=O)c1ccc(cc1)OCC(=O)N1CCC[C@@H](C1)[*:1]
CCC(=O)c1ccc(OCC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)cc1 c1ccc(nc1)[*:1] CCC(=O)c1ccc(cc1)OCC(=O)N1CCC[C@H](C1)C(=O)[*:1]
Cc1nc(C[NH+]2CCC(C(=O)N(C)c3ccc4ccccc4c3)CC2)cs1 Cc1nc(cs1)[*:1] CN(C(=O)C1CC[NH+](CC1)C[*:1])c1ccc2ccccc2c1
CC(C)COC[C@@H](C)NC(=O)[C@@H](C)c1ccsc1 CC(C)COC[*:1] C[C@H](C(=O)N[C@H](C)[*:1])c1ccsc1
CC(C)COC[C@@H](C)NC(=O)[C@@H](C)c1ccsc1 CC(C)CO[*:1] C[C@H](C(=O)N[C@H](C)C[*:1])c1ccsc1
CC(C)COC[C@@H](C)NC(=O)[C@@H](C)c1ccsc1 CC(C)C[*:1] C[C@H](C(=O)N[C@H](C)CO[*:1])c1ccsc1
CC(C)COC[C@@H](C)NC(=O)[C@@H](C)c1ccsc1 CC(C)[*:1] C[C@H](C(=O)N[C@H](C)COC[*:1])c1ccsc1
CC(C)COC[C@@H](C)NC(=O)[C@@H](C)c1ccsc1 c1cc(cs1)[*:1] CC(C)COC[C@@H](C)NC(=O)[C@@H](C)[*:1]
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1Cl O=[N+]([O-])[*:1] O=C(Nc1ccccc1[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)NCc1ccccc1
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1Cl O=[N+]([O-])c1ccccc1[*:1] O=C(N[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)NCc1ccccc1
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])c1cc(c(Cl)cc1Cl)S(=O)(=O)NC[*:1]
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1Cl c1ccc(cc1)C[*:1] O=C(Nc1ccccc1[N+](=O)[O-])c1cc(c(Cl)cc1Cl)S(=O)(=O)N[*:1]
C[C@H]1Oc2ccccc2N(CCC(=O)NC2(c3ccc(F)cc3)CCC2)C1=O Fc1ccc(cc1)[*:1] C[C@H]1Oc2ccccc2N(CCC(=O)NC2(CCC2)[*:1])C1=O
CC(=O)[C@H]1C[C@@H](CC(=O)NC(=O)Nc2ccc(Br)cc2)C1(C)C CC(=O)[*:1] CC1(C)[C@H](CC(=O)NC(=O)Nc2ccc(Br)cc2)C[C@@H]1[*:1]
CC(=O)[C@H]1C[C@@H](CC(=O)NC(=O)Nc2ccc(Br)cc2)C1(C)C Brc1ccc(cc1)[*:1] CC(=O)[C@H]1C[C@@H](CC(=O)NC(=O)N[*:1])C1(C)C
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1[C@H](C)CCC[C@H]1C COC(=O)[*:1] C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)[*:1]
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1[C@H](C)CCC[C@H]1C c1ccc2c(c[nH]c2c1)[*:1] COC(=O)[C@H](C[*:1])NC(=O)C[NH+]1[C@H](C)CCC[C@H]1C
C[C@H]1CCC[C@@H](N(C)C(=O)c2cccc(OCc3cscn3)c2)C1 c1nc(cs1)CO[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)c1cccc(c1)[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)c2cccc(OCc3cscn3)c2)C1 c1nc(cs1)C[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)c1cccc(c1)O[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)c2cccc(OCc3cscn3)c2)C1 c1nc(cs1)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)c1cccc(c1)OC[*:1]
C[NH+](Cc1cc(O)c2ccccc2n1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CC[*:1] C[NH+](Cc1cc(O)c2ccccc2n1)CC1CC[NH+](CC1)[*:1]
C[NH+](Cc1cc(O)c2ccccc2n1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[NH+](Cc1cc(O)c2ccccc2n1)CC1CC[NH+](CC1)CC[*:1]
C[NH+](Cc1cc(O)c2ccccc2n1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] C[NH+](Cc1cc(O)c2ccccc2n1)CC1CC[NH+](CC1)C[*:1]
O=C(c1ncn(-c2ccccc2)n1)N1C[C@H](n2cccn2)Cc2ccccc21 c1ccc(cc1)[*:1] O=C(c1ncn(n1)[*:1])N1C[C@@H](Cc2ccccc21)n1cccn1
O=C(c1ncn(-c2ccccc2)n1)N1C[C@H](n2cccn2)Cc2ccccc21 c1cnn(c1)[*:1] O=C(c1ncn(n1)-c1ccccc1)N1C[C@H](Cc2ccccc21)[*:1]
CC(=O)c1cccc(OCC(=O)NCc2ccc(Br)cc2F)c1 CC(=O)[*:1] O=C(COc1cccc(c1)[*:1])NCc1ccc(Br)cc1F
Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)c1C O=S(=O)(Nc1ccccc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)COc1ccc(cc1)[*:1]
Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)COc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(COc1ccc(cc1)S(=O)(=O)Nc1ccccc1)N1CCN(CC1)[*:1]
CC(C)c1nnc(C2CC[NH+](CC(=O)NCc3ccco3)CC2)o1 CC(C)[*:1] O=C(C[NH+]1CCC(CC1)c1nnc(o1)[*:1])NCc1ccco1
CC(C)c1nnc(C2CC[NH+](CC(=O)NCc3ccco3)CC2)o1 CC(C)c1nnc(o1)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])NCc1ccco1
CC(C)c1nnc(C2CC[NH+](CC(=O)NCc3ccco3)CC2)o1 c1coc(c1)[*:1] CC(C)c1nnc(o1)C1CC[NH+](CC1)CC(=O)NC[*:1]
CC(C)c1nnc(C2CC[NH+](CC(=O)NCc3ccco3)CC2)o1 c1coc(c1)C[*:1] CC(C)c1nnc(o1)C1CC[NH+](CC1)CC(=O)N[*:1]
CCCc1nnc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](O)C2)s1 CCC[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)C(=O)Nc1nnc(s1)[*:1]
O=C(C=C1CCSCC1)NCCNc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(C=C1CCSCC1)NCCNc1ccccc1[*:1]
CCSc1cncc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1 CC(C)(C)[*:1] CCSc1cncc(n1)N(C)C1CCN(CC1)C(=O)O[*:1]
CCSc1cncc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1 CCS[*:1] CN(c1cncc(n1)[*:1])C1CCN(CC1)C(=O)OC(C)(C)C
CCOc1ccccc1NC(=O)CNC(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCOc1ccccc1NC(=O)CNC(=O)[*:1]
CCOc1ccccc1NC(=O)CNC(=O)c1cccc(F)c1 CCO[*:1] O=C(CNC(=O)c1cccc(F)c1)Nc1ccccc1[*:1]
CCC[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1csc(n1)-c1ccccc1)[*:1]
CCC[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OC c1ccc(cc1)[*:1] CCC[C@H](NC(=O)c1csc(n1)[*:1])C(=O)OC
CCC[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1csc(n1)-c1ccccc1)[*:1]
Cc1ccc(CN2C[C@H](C(=O)N3CCC[C@@H](C(N)=O)C3)CC2=O)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(CN2C[C@H](C(=O)N3CCC[C@@H](C(N)=O)C3)CC2=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(CN2C[C@H](C(=O)N3CCC[C@@H](C(N)=O)C3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[*:1]
C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O C=CC[*:1] C[C@@H](CS(C)(=O)=O)[NH2+][C@H](C)[C@@H](C)[*:1]
C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O C=CC[C@H](C)[*:1] C[C@@H](CS(C)(=O)=O)[NH2+][C@H](C)[*:1]
C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)[*:1]
CCOC(=O)[C@H](C)Nc1ncnc2c1CCCC2 CCOC(=O)[*:1] C[C@H](Nc1ncnc2CCCCc21)[*:1]
COc1ccc(Cl)cc1-c1cnc(OC)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(Cl)cc1-c1cnc(OC)c(c1)[*:1]
O=C(CSc1ccc2c(c1)OCCO2)N1N=C(c2ccco2)C[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(CSc1ccc2OCCOc2c1)N1N=C(C[C@@H]1[*:1])c1ccco1
O=C(CSc1ccc2c(c1)OCCO2)N1N=C(c2ccco2)C[C@H]1c1cccs1 c1coc(c1)[*:1] O=C(CSc1ccc2OCCOc2c1)N1N=C(C[C@H]1c1cccs1)[*:1]
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 O=C([O-])[*:1] O=C([C@H]1C[C@H]1[*:1])N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
COC(=O)c1ccc(S(=O)(=O)N(C)CC(C)C)c(N)c1 CC(C)C[*:1] COC(=O)c1ccc(c(N)c1)S(=O)(=O)N(C)[*:1]
COC(=O)c1ccc(S(=O)(=O)N(C)CC(C)C)c(N)c1 COC(=O)[*:1] CC(C)CN(C)S(=O)(=O)c1ccc(cc1N)[*:1]
COC(=O)c1ccc(S(=O)(=O)N(C)CC(C)C)c(N)c1 CC(C)[*:1] COC(=O)c1ccc(c(N)c1)S(=O)(=O)N(C)C[*:1]
O=c1oc2ccccc2n1Cc1nc(-c2ccco2)no1 c1coc(c1)[*:1] O=c1oc2ccccc2n1Cc1nc(no1)[*:1]
Cc1ccccc1[C@H](CC(=O)N1C[C@@H]([NH+](C)C)[C@H](C)C1)NC(N)=O NC(=O)N[*:1] Cc1ccccc1[C@H](CC(=O)N1C[C@H]([C@H](C)C1)[NH+](C)C)[*:1]
Cc1ccccc1[C@H](CC(=O)N1C[C@@H]([NH+](C)C)[C@H](C)C1)NC(N)=O Cc1ccccc1[*:1] C[C@@H]1CN(C[C@H]1[NH+](C)C)C(=O)C[C@H](NC(N)=O)[*:1]
CCn1c(=O)ccn(-c2cc(OC(C)C)c(Cl)cc2F)c1=O CC(C)O[*:1] CCn1c(=O)ccn(-c2cc(c(Cl)cc2F)[*:1])c1=O
CCn1c(=O)ccn(-c2cc(OC(C)C)c(Cl)cc2F)c1=O CC(C)[*:1] CCn1c(=O)ccn(-c2cc(O[*:1])c(Cl)cc2F)c1=O
C[C@@H](CCO)Sc1ccc(Br)cc1N OCC[*:1] C[C@@H](Sc1ccc(Br)cc1N)[*:1]
Cc1cc(C)cc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)c1 Fc1ccccc1[*:1] Cc1cc(C)cc(c1)OC[C@H](O)CN1CCN(CC1)[*:1]
Cc1cc(C)cc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)c1 Cc1cc(C)cc(c1)[*:1] O[C@@H](CO[*:1])CN1CCN(CC1)c1ccccc1F
CCOCCS(=O)(=O)Cc1nnc(-c2ccccc2)n1C CCOCC[*:1] Cn1c(CS(=O)(=O)[*:1])nnc1-c1ccccc1
CCOCCS(=O)(=O)Cc1nnc(-c2ccccc2)n1C CCO[*:1] Cn1c(CS(=O)(=O)CC[*:1])nnc1-c1ccccc1
CCOCCS(=O)(=O)Cc1nnc(-c2ccccc2)n1C c1ccc(cc1)[*:1] CCOCCS(=O)(=O)Cc1nnc(n1C)[*:1]
CCOCCS(=O)(=O)Cc1nnc(-c2ccccc2)n1C CCOC[*:1] Cn1c(CS(=O)(=O)C[*:1])nnc1-c1ccccc1
C[C@H](NC(=O)C(C)(C)F)c1ccc(N2C(=O)NC[C@H]2C)cc1 C[C@@H]1CNC(=O)N1[*:1] C[C@H](NC(=O)C(C)(C)F)c1ccc(cc1)[*:1]
C[C@H](NC(=O)C(C)(C)F)c1ccc(N2C(=O)NC[C@H]2C)cc1 CC(C)(F)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)N1C(=O)NC[C@H]1C
C[C@H](NC(=O)C(C)(C)F)c1ccc(N2C(=O)NC[C@H]2C)cc1 CC(C)(F)C(=O)N[*:1] C[C@H](c1ccc(cc1)N1C(=O)NC[C@H]1C)[*:1]
O=C1c2ccccc2S(=O)(=O)N1C[C@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] O=C1c2ccccc2S(=O)(=O)N1C[C@H]([NH+]1CCCC1)[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C)C[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl Cc1noc(C)c1[*:1] C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H](C)C[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl Cc1noc(C)c1C[*:1] C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H](C)[*:1]
O=C(NC[C@H]1CCCO1)[C@@H]1CCCc2ccccc21 C1CO[C@H](C1)C[*:1] O=C(N[*:1])[C@@H]1CCCc2ccccc21
O=C(NC[C@H]1CCCO1)[C@@H]1CCCc2ccccc21 C1CO[C@H](C1)[*:1] O=C(NC[*:1])[C@@H]1CCCc2ccccc21
CC[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)OC)n(C)c1 COC(=O)[*:1] CC[C@H]1CCCCN1S(=O)(=O)c1cc(n(C)c1)[*:1]
CNC(=O)CC1CCN(C(=O)[C@H](C)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CNC(=O)CC1CCN(CC1)C(=O)[C@H](C)[*:1]
CNC(=O)CC1CCN(C(=O)[C@H](C)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)[C@H](C)C[*:1]
CNC(=O)CC1CCN(C(=O)[C@H](C)Cc2ccccc2)CC1 CNC(=O)C[*:1] C[C@H](Cc1ccccc1)C(=O)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)[C@H](C)Cc2ccccc2)CC1 CNC(=O)[*:1] C[C@H](Cc1ccccc1)C(=O)N1CCC(CC1)C[*:1]
CCc1nn(C)c(C[C@@H](C(=O)[O-])c2cccc(C)c2)c1Br Cc1cccc(c1)[*:1] CCc1nn(C)c(C[C@@H](C(=O)[O-])[*:1])c1Br
CCc1nn(C)c(C[C@@H](C(=O)[O-])c2cccc(C)c2)c1Br O=C([O-])[*:1] CCc1nn(C)c(C[C@@H](c2cccc(C)c2)[*:1])c1Br
CCc1ccc(NC(=O)[C@@H](NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(C)C)cc1 CCc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)N[*:1]
CCc1ccc(NC(=O)[C@@H](NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)NC(=O)[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)[*:1]
Cc1nc(C)n(Cc2cccc(NCc3noc(CC(C)C)n3)c2)n1 CC(C)C[*:1] Cc1nc(C)n(Cc2cccc(c2)NCc2noc(n2)[*:1])n1
Cc1nc(C)n(Cc2cccc(NCc3noc(CC(C)C)n3)c2)n1 Cc1nc(C)n(n1)[*:1] CC(C)Cc1nc(CNc2cccc(c2)C[*:1])no1
Cc1nc(C)n(Cc2cccc(NCc3noc(CC(C)C)n3)c2)n1 CC(C)[*:1] Cc1nc(C)n(Cc2cccc(c2)NCc2noc(C[*:1])n2)n1
Cc1nc(C)n(Cc2cccc(NCc3noc(CC(C)C)n3)c2)n1 Cc1nc(C)n(C[*:1])n1 CC(C)Cc1nc(CNc2cccc(c2)[*:1])no1
CCCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccccn2)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)N(C)Cc1ccccn1
CCCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccccn2)c1C CCC[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)N(C)Cc1ccccn1
CCCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccccn2)c1C c1ccc(nc1)[*:1] CCCC(=O)Nc1cccc(NC(=O)N(C)C[*:1])c1C
CCCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccccn2)c1C c1ccc(C[*:1])nc1 CCCC(=O)Nc1cccc(NC(=O)N(C)[*:1])c1C
COC(=O)c1cc(C[NH+]2CCCC3(C2)OCCO3)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])C[NH+]1CCCC2(C1)OCCO2
CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ncn(C)n2)CC1 Cn1cnc(C[*:1])n1 CCC[NH+]1CCN(CC1)c1ccccc1C[NH2+][*:1]
CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ncn(C)n2)CC1 Cn1cnc(n1)[*:1] CCC[NH+]1CCN(CC1)c1ccccc1C[NH2+]C[*:1]
CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ncn(C)n2)CC1 CCC[*:1] Cn1cnc(C[NH2+]Cc2ccccc2N2CC[NH+](CC2)[*:1])n1
CC(C)S(=O)(=O)NCC1CCN(C(=O)c2ccoc2)CC1 CC(C)[*:1] O=C(c1ccoc1)N1CCC(CC1)CNS(=O)(=O)[*:1]
CC(C)S(=O)(=O)NCC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] CC(C)S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
CC(C)S(=O)(=O)NCC1CCN(C(=O)c2ccoc2)CC1 CC(C)S(=O)(=O)N[*:1] O=C(c1ccoc1)N1CCC(CC1)C[*:1]
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccco1 O=C(c1ccco1)[*:1] O=[N+]([O-])c1ccccc1-c1ccc(C=C[*:1])o1
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccco1 c1coc(c1)[*:1] O=C(/C=C/c1ccc(o1)-c1ccccc1[N+](=O)[O-])[*:1]
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccco1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(o1)-c1ccccc1[*:1])c1ccco1
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)c1 CCOC(=O)[*:1] O=C(C[C@H]1CCCO1)N1CCC[C@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)c1 C1CO[C@H](C1)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)c1 C1CO[C@H](C1)C[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)N1CCC[C@@H]1[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)nc1 Clc1cccc(c1)[*:1] CCN(C[*:1])C(=O)Cc1ccc(C)nc1
CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)nc1 Cc1ccc(cn1)[*:1] CCN(Cc1cccc(Cl)c1)C(=O)C[*:1]
CCN1C(=O)C[C@@](CC(=O)N2CCC[C@H](OCc3ccccc3)C2)(c2ccccc2C)C1=O c1ccc(cc1)C[*:1] CCN1C(=O)C[C@](CC(=O)N2CCC[C@@H](C2)O[*:1])(C1=O)c1ccccc1C
CCN1C(=O)C[C@@](CC(=O)N2CCC[C@H](OCc3ccccc3)C2)(c2ccccc2C)C1=O Cc1ccccc1[*:1] CCN1C(=O)C[C@@](CC(=O)N2CCC[C@@H](C2)OCc2ccccc2)(C1=O)[*:1]
CCN1C(=O)C[C@@](CC(=O)N2CCC[C@H](OCc3ccccc3)C2)(c2ccccc2C)C1=O c1ccc(cc1)[*:1] CCN1C(=O)C[C@](CC(=O)N2CCC[C@@H](C2)OC[*:1])(C1=O)c1ccccc1C
CCN1C(=O)C[C@@](CC(=O)N2CCC[C@H](OCc3ccccc3)C2)(c2ccccc2C)C1=O c1ccc(cc1)CO[*:1] CCN1C(=O)C[C@](CC(=O)N2CCC[C@H](C2)[*:1])(C1=O)c1ccccc1C
O=C([C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 c1ccc(cc1)[*:1] O=C([C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
C[C@H](C#N)OC(=O)c1ccc2c(c1)OCO2 C[C@H](C#N)[*:1] O=C(O[*:1])c1ccc2OCOc2c1
Cc1cc(CCCC(=O)Nc2ccc(-c3ncon3)cc2)c(C)s1 c1nc(no1)[*:1] Cc1cc(CCCC(=O)Nc2ccc(cc2)[*:1])c(C)s1
Cc1cc(CCCC(=O)Nc2ccc(-c3ncon3)cc2)c(C)s1 Cc1cc(C[*:1])c(C)s1 O=C(CC[*:1])Nc1ccc(cc1)-c1ncon1
Cc1cc(CCCC(=O)Nc2ccc(-c3ncon3)cc2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CCC[*:1])Nc1ccc(cc1)-c1ncon1
CC(C)[C@@H](CO)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)[C@@H](CO)[NH2+][C@H]1CCC[C@H]1[*:1]
CC(C)[C@@H](CO)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O CC(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+][C@H](CO)[*:1]
C[C@H]1CCCN1C(=O)CCN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O N#Cc1ccc(cc1)[*:1] C[C@H]1CCCN1C(=O)CCN1C(=O)N[C@](C)(C1=O)[*:1]
C[C@H]1CCCN1C(=O)CCN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O C[C@H]1CCCN1C(=O)[*:1] C[C@@]1(NC(=O)N(CC[*:1])C1=O)c1ccc(C#N)cc1
COCCn1ccc2ccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)[C@@H]1CCS(=O)(=O)C1
COCCn1ccc2ccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(CCCn1ccnn1)NCC1(c2ccc(Cl)cc2)CCCCC1 c1cn(nn1)[*:1] O=C(CCC[*:1])NCC1(CCCCC1)c1ccc(Cl)cc1
O=C(CCCn1ccnn1)NCC1(c2ccc(Cl)cc2)CCCCC1 c1cn(C[*:1])nn1 O=C(CC[*:1])NCC1(CCCCC1)c1ccc(Cl)cc1
O=C(CCCn1ccnn1)NCC1(c2ccc(Cl)cc2)CCCCC1 Clc1ccc(cc1)[*:1] O=C(CCCn1ccnn1)NCC1(CCCCC1)[*:1]
O=C(CCCn1ccnn1)NCC1(c2ccc(Cl)cc2)CCCCC1 c1cn(CC[*:1])nn1 O=C(C[*:1])NCC1(CCCCC1)c1ccc(Cl)cc1
O=C(CCCn1ccnn1)NCC1(c2ccc(Cl)cc2)CCCCC1 c1cn(CCC[*:1])nn1 O=C(NCC1(CCCCC1)c1ccc(Cl)cc1)[*:1]
CC(=O)N[C@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)C1CCCC1 Cc1nn(C)c(C)c1[*:1] CC(=O)N[C@H](C(=O)N1CCC[C@@H]1[*:1])C1CCCC1
CC(=O)N[C@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)[*:1]
CC(=O)N[C@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)C1CCCC1 CC(=O)N[*:1] Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C1CCCC1)[*:1]
CC(=O)NCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] CC(=O)NCCCNC(=O)c1cc(nc2ccccc12)[*:1]
CC(=O)NCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 CC(=O)N[*:1] O=C(NCCC[*:1])c1cc(nc2ccccc12)-c1ccccc1
CC(=O)NCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 CC(=O)NC[*:1] O=C(NCC[*:1])c1cc(nc2ccccc12)-c1ccccc1
CC(=O)NCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 CC(=O)NCCC[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccccc1
CC(=O)NCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 CC(=O)NCC[*:1] O=C(NC[*:1])c1cc(nc2ccccc12)-c1ccccc1
O=C(c1ccc(F)cc1Br)N(C1CCCC1)C1CC1 C1CC1[*:1] O=C(c1ccc(F)cc1Br)N(C1CCCC1)[*:1]
O=C(c1ccc(F)cc1Br)N(C1CCCC1)C1CC1 C1CCC(C1)[*:1] O=C(c1ccc(F)cc1Br)N(C1CC1)[*:1]
O=C(c1cnn2ccccc12)N1CCC(n2cc(-c3ccccn3)nn2)CC1 c1ccc(nc1)[*:1] O=C(c1cnn2ccccc12)N1CCC(CC1)n1cc(nn1)[*:1]
O=C(c1cnn2ccccc12)N1CCC(n2cc(-c3ccccn3)nn2)CC1 c1ccn2ncc(c2c1)[*:1] O=C(N1CCC(CC1)n1cc(nn1)-c1ccccn1)[*:1]
CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(C(=O)OC)CC1 CCOC(=O)[*:1] COC(=O)C1CCN(CC1)c1c(c[nH+]c2ccccc12)[*:1]
CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(C(=O)OC)CC1 COC(=O)[*:1] CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(CC1)[*:1]
CC(C)CCOc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 CC(C)[*:1] CN(C)N(C(=O)c1ccc(cc1)OCC[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)CCOc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 CC(C)CCO[*:1] CN(C)N(C(=O)c1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)CCOc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 CC(C)CC[*:1] CN(C)N(C(=O)c1ccc(cc1)O[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)CCOc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 CC(C)C[*:1] CN(C)N(C(=O)c1ccc(cc1)OC[*:1])[C@H]1CCS(=O)(=O)C1
Cn1ncc2c1CC/C(=C\c1cccnc1)C2=O c1cncc(c1)[*:1] Cn1ncc2C(=O)C(=C[*:1])CCc21
C[C@@H](Cc1cccs1)N(C)c1ncc(C(=O)[O-])s1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)c1ncc(s1)C(=O)[O-]
C[C@@H](Cc1cccs1)N(C)c1ncc(C(=O)[O-])s1 O=C([O-])[*:1] C[C@@H](Cc1cccs1)N(C)c1ncc(s1)[*:1]
C[C@@H](Cc1cccs1)N(C)c1ncc(C(=O)[O-])s1 c1csc(c1)C[*:1] C[C@@H](N(C)c1ncc(s1)C(=O)[O-])[*:1]
Cc1c(NC(=O)C(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)cccc1C(N)=O CC(C)c1ccc(cc1)[*:1] Cc1c(cccc1C(N)=O)NC(=O)C(=O)N[C@H](C(C)C)[*:1]
Cc1c(NC(=O)C(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)N[C@H](c1ccc(cc1)C(C)C)C(C)C
Cc1c(NC(=O)C(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)cccc1C(N)=O CC(C)[*:1] Cc1c(cccc1C(N)=O)NC(=O)C(=O)N[C@H](c1ccc(cc1)[*:1])C(C)C
Cc1c(NC(=O)C(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)cccc1C(N)=O CC(C)[*:1] Cc1c(cccc1C(N)=O)NC(=O)C(=O)N[C@H](c1ccc(cc1)C(C)C)[*:1]
CC(C)CCCNC(=O)C(=O)Nc1ccc(N(C)C)nc1 CC(C)C[*:1] CN(C)c1ccc(cn1)NC(=O)C(=O)NCC[*:1]
CC(C)CCCNC(=O)C(=O)Nc1ccc(N(C)C)nc1 CC(C)[*:1] CN(C)c1ccc(cn1)NC(=O)C(=O)NCCC[*:1]
CC(C)CCCNC(=O)C(=O)Nc1ccc(N(C)C)nc1 CC(C)CC[*:1] CN(C)c1ccc(cn1)NC(=O)C(=O)NC[*:1]
CC(C)CCCNC(=O)C(=O)Nc1ccc(N(C)C)nc1 CC(C)CCC[*:1] CN(C)c1ccc(cn1)NC(=O)C(=O)N[*:1]
CC(C)CCCNC(=O)C(=O)Nc1ccc(N(C)C)nc1 CN(C)[*:1] CC(C)CCCNC(=O)C(=O)Nc1ccc(nc1)[*:1]
CCCOc1ccc([C@@H]2[C@@H](C(N)=O)C(C)=Nc3nnnn32)cc1OCC CCC[*:1] CCOc1cc(ccc1O[*:1])[C@@H]1[C@@H](C(N)=O)C(C)=Nc2nnnn21
CCCOc1ccc([C@@H]2[C@@H](C(N)=O)C(C)=Nc3nnnn32)cc1OCC CCCO[*:1] CCOc1cc(ccc1[*:1])[C@@H]1[C@@H](C(N)=O)C(C)=Nc2nnnn21
CCCOc1ccc([C@@H]2[C@@H](C(N)=O)C(C)=Nc3nnnn32)cc1OCC NC(=O)[*:1] CCCOc1ccc(cc1OCC)[C@@H]1[C@@H](C(C)=Nc2nnnn21)[*:1]
CCCOc1ccc([C@@H]2[C@@H](C(N)=O)C(C)=Nc3nnnn32)cc1OCC CCO[*:1] CCCOc1ccc(cc1[*:1])[C@@H]1[C@@H](C(N)=O)C(C)=Nc2nnnn21
Cn1c(CC(=O)NNC(=O)c2cc(Cl)c[nH]2)nc2ccccc21 Clc1c[nH]c(c1)[*:1] Cn1c(CC(=O)NNC(=O)[*:1])nc2ccccc21
C#CCCOC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C C#CCC[*:1] CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[*:1]
C#CCCOC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C C#CC[*:1] CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OC[*:1]
C#CCCOC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C C#CCCOC(=O)[*:1] CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)[*:1]
C#CCCOC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C CC(C)[*:1] C#CCCOC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)[*:1]
C#CCCOC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C Clc1ccc(cc1)[*:1] C#CCCOC(=O)[C@H](NC(=O)[*:1])C(C)C
COC(=O)[C@@H](C)N(C(=O)c1cccc(SCC#N)c1)C1CC1 COC(=O)[*:1] C[C@@H](N(C(=O)c1cccc(c1)SCC#N)C1CC1)[*:1]
COC(=O)[C@@H](C)N(C(=O)c1cccc(SCC#N)c1)C1CC1 COC(=O)[C@@H](C)[*:1] N#CCSc1cccc(c1)C(=O)N(C1CC1)[*:1]
COC(=O)[C@@H](C)N(C(=O)c1cccc(SCC#N)c1)C1CC1 N#CC[*:1] COC(=O)[C@@H](C)N(C(=O)c1cccc(c1)S[*:1])C1CC1
COC(=O)[C@@H](C)N(C(=O)c1cccc(SCC#N)c1)C1CC1 C1CC1[*:1] COC(=O)[C@@H](C)N(C(=O)c1cccc(c1)SCC#N)[*:1]
COC(=O)[C@@H](C)N(C(=O)c1cccc(SCC#N)c1)C1CC1 N#CCS[*:1] COC(=O)[C@@H](C)N(C(=O)c1cccc(c1)[*:1])C1CC1
Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3c(Cl)ccc(Cl)c3Cl)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)c(C)n1[*:1]
Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3c(Cl)ccc(Cl)c3Cl)c2C)no1 Clc1ccc(Cl)c(c1Cl)[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)COC(=O)[*:1])c1C
CC(C)CN(C)C(=O)NC[C@@H](C(=O)N1CCOCC1)c1ccccc1 CC(C)[*:1] CN(C[*:1])C(=O)NC[C@@H](C(=O)N1CCOCC1)c1ccccc1
CC(C)CN(C)C(=O)NC[C@@H](C(=O)N1CCOCC1)c1ccccc1 CC(C)C[*:1] CN(C(=O)NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)[*:1]
CC(C)CN(C)C(=O)NC[C@@H](C(=O)N1CCOCC1)c1ccccc1 O=C(N1CCOCC1)[*:1] CC(C)CN(C)C(=O)NC[C@@H](c1ccccc1)[*:1]
CC(C)CN(C)C(=O)NC[C@@H](C(=O)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CN(C)C(=O)NC[C@@H](C(=O)N1CCOCC1)[*:1]
Cn1c(CNC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)nc2ccccc21 Cn1c(nc2ccccc21)[*:1] O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)NC[*:1]
Cn1c(CNC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)nc2ccccc21 O=C(N1CCCCC1)[*:1] Cn1c(CNC(=O)Cn2c(=O)cc(c3ccccc32)[*:1])nc2ccccc21
Cn1c(CNC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)nc2ccccc21 Cn1c(C[*:1])nc2ccccc21 O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)N[*:1]
COc1ccccc1/C=N/Nc1nnc(SCc2ccc(C)cc2)n1N COc1ccccc1[*:1] Cc1ccc(cc1)CSc1nnc(NN=C[*:1])n1N
COc1ccccc1/C=N/Nc1nnc(SCc2ccc(C)cc2)n1N Cc1ccc(cc1)[*:1] COc1ccccc1/C=N/Nc1nnc(SC[*:1])n1N
COc1ccccc1/C=N/Nc1nnc(SCc2ccc(C)cc2)n1N Cc1ccc(cc1)C[*:1] COc1ccccc1/C=N/Nc1nnc(S[*:1])n1N
O=C(CCC(=O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1O O=[N+]([O-])[*:1] O=C(CCC(=O)c1cccs1)Nc1cc(ccc1O)[*:1]
O=C(CCC(=O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1O O=C(c1cccs1)[*:1] O=C(CC[*:1])Nc1cc(ccc1O)[N+](=O)[O-]
O=C(CCC(=O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1O c1csc(c1)[*:1] O=C(CCC(=O)[*:1])Nc1cc(ccc1O)[N+](=O)[O-]
COc1ccc(C(=O)N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc1F Clc1cccc(c1)[*:1] COc1ccc(cc1F)C(=O)N1CCC[C@@](CO)(C1)C[*:1]
COc1ccc(C(=O)N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc1F COc1ccc(cc1F)[*:1] O=C(N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1)[*:1]
COc1ccc(C(=O)N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc1F Clc1cccc(c1)C[*:1] COc1ccc(cc1F)C(=O)N1CCC[C@](CO)(C1)[*:1]
O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2I)cc1 O=C([O-])[*:1] O=S(=O)(Nc1ccccc1I)c1ccc(cc1)[*:1]
COC(=O)c1c(C)nn2c(-c3ccccc3)ccnc12 c1ccc(cc1)[*:1] COC(=O)c1c(C)nn2c(ccnc12)[*:1]
COC(=O)c1c(C)nn2c(-c3ccccc3)ccnc12 COC(=O)[*:1] Cc1nn2c(ccnc2c1[*:1])-c1ccccc1
Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NCC[NH+]1CCCCC1 CC(C)(C)[*:1] Cn1nc(cc1NC(=O)C(=O)NCC[NH+]1CCCCC1)C[*:1]
Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NCC[NH+]1CCCCC1 CC(C)(C)C[*:1] Cn1nc(cc1NC(=O)C(=O)NCC[NH+]1CCCCC1)[*:1]
C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(cc1)O[*:1]
C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Oc2ccccc2)cc1 Cn1c(=O)ccn(c1=O)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)Oc1ccccc1
C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(cc1)[*:1]
O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(cc1)O[*:1])Nc1ccc(cc1)-c1nnc2CCCCCn21
O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 c1ccc(cc1)O[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])Nc1ccc(cc1)-c1nnc2CCCCCn21
O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 C1CCc2nnc(n2CC1)[*:1] O=C(CNC(=O)c1ccc(cc1)Oc1ccccc1)Nc1ccc(cc1)[*:1]
CC[C@@H]([NH2+]C)[C@H](C)c1cc(C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H]([NH2+]C)[C@H](C)c1cc(C)ccc1[*:1]
COc1ccc(OC)c(/C=C/C(=O)N(C2CC2)[C@@H](C)C(C)C)c1 CC(C)[*:1] COc1ccc(OC)c(/C=C/C(=O)N(C2CC2)[C@@H](C)[*:1])c1
COc1ccc(OC)c(/C=C/C(=O)N(C2CC2)[C@@H](C)C(C)C)c1 C1CC1[*:1] COc1ccc(OC)c(/C=C/C(=O)N([C@@H](C)C(C)C)[*:1])c1
Cc1ccc(O[C@H](C)C(=O)NC2CCCC2)c(C=O)n1 C1CCC(C1)[*:1] Cc1ccc(O[C@H](C)C(=O)N[*:1])c(C=O)n1
CCn1c(=O)n(CC(=O)c2ccc(F)cc2F)c2c(C(N)=O)nc(-c3ccc(C)o3)nc21 O=C(c1ccc(F)cc1F)[*:1] CCn1c(=O)n(C[*:1])c2c(nc(nc21)-c1ccc(C)o1)C(N)=O
CCn1c(=O)n(CC(=O)c2ccc(F)cc2F)c2c(C(N)=O)nc(-c3ccc(C)o3)nc21 Fc1ccc(c(F)c1)[*:1] CCn1c(=O)n(CC(=O)[*:1])c2c(nc(nc21)-c1ccc(C)o1)C(N)=O
CCn1c(=O)n(CC(=O)c2ccc(F)cc2F)c2c(C(N)=O)nc(-c3ccc(C)o3)nc21 NC(=O)[*:1] CCn1c(=O)n(CC(=O)c2ccc(F)cc2F)c2c(nc(nc21)-c1ccc(C)o1)[*:1]
CCn1c(=O)n(CC(=O)c2ccc(F)cc2F)c2c(C(N)=O)nc(-c3ccc(C)o3)nc21 Cc1ccc(o1)[*:1] CCn1c(=O)n(CC(=O)c2ccc(F)cc2F)c2c(nc(nc21)[*:1])C(N)=O
N#Cc1cnc(SCc2ccc(OCc3ccccn3)cc2)nc1N c1ccc(nc1)[*:1] N#Cc1cnc(nc1N)SCc1ccc(cc1)OC[*:1]
N#Cc1cnc(SCc2ccc(OCc3ccccn3)cc2)nc1N c1ccc(C[*:1])nc1 N#Cc1cnc(nc1N)SCc1ccc(cc1)O[*:1]
N#Cc1cnc(SCc2ccc(OCc3ccccn3)cc2)nc1N c1ccc(CO[*:1])nc1 N#Cc1cnc(nc1N)SCc1ccc(cc1)[*:1]
COc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[*:1]
COc1ccc(-c2nc(C(=O)OC[C@@H]3CC=CC[C@H]3C)cs2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CC=CC[C@H]1COC(=O)c1csc(n1)[*:1]
CN(C)c1nc(Oc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)n1 CN(C)[*:1] O=[N+]([O-])c1ccc(cc1)Oc1cc(nc(n1)[*:1])C(F)(F)F
CN(C)c1nc(Oc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)n1 FC(F)(F)[*:1] CN(C)c1nc(cc(n1)[*:1])Oc1ccc(cc1)[N+](=O)[O-]
CN(C)c1nc(Oc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)n1 O=[N+]([O-])[*:1] CN(C)c1nc(cc(n1)C(F)(F)F)Oc1ccc(cc1)[*:1]
N#CCOc1cccc(CC(=O)NC2CCC3(CC2)OCCO3)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])NC1CCC2(CC1)OCCO2
N#CCOc1cccc(CC(=O)NC2CCC3(CC2)OCCO3)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])NC1CCC2(CC1)OCCO2
COc1ccc(CNC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 COc1ccc(cc1)[*:1] CC(C)CN1CCO[C@H](CNC(=O)NC[*:1])C1
COc1ccc(CNC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 CC(C)C[*:1] COc1ccc(cc1)CNC(=O)NC[C@@H]1CN(CCO1)[*:1]
COc1ccc(CNC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 CC(C)[*:1] COc1ccc(cc1)CNC(=O)NC[C@@H]1CN(CCO1)C[*:1]
C[C@H](C(=O)NN)[C@H](C)n1cc(C(F)(F)F)cn1 FC(F)(F)[*:1] C[C@H](C(=O)NN)[C@H](C)n1cc(cn1)[*:1]
C[C@H](C(=O)NN)[C@H](C)n1cc(C(F)(F)F)cn1 NNC(=O)[*:1] C[C@@H]([C@@H](C)[*:1])n1cc(cn1)C(F)(F)F
O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 C1CC1[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1
O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 c1csc(c1)[*:1] O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CCCN1C(=O)[*:1]
O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 O=C(NC1CC1)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CCCN1C(=O)c1cccs1
CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2cccnc2)c2cccs2)cc1 c1cncc(c1)[*:1] CC[C@@H](C)c1ccc(cc1)[C@H](NC(=O)C(=O)N[*:1])c1cccs1
CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2cccnc2)c2cccs2)cc1 c1csc(c1)[*:1] CC[C@@H](C)c1ccc(cc1)[C@H](NC(=O)C(=O)Nc1cccnc1)[*:1]
CC[C@@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2cccnc2)c2cccs2)cc1 CC[C@@H](C)[*:1] O=C(Nc1cccnc1)C(=O)N[C@@H](c1ccc(cc1)[*:1])c1cccs1
C/C(=C\C(=O)N(CC#N)C1CCCC1)C(C)(C)C N#CC[*:1] C/C(=C\C(=O)N(C1CCCC1)[*:1])C(C)(C)C
C/C(=C\C(=O)N(CC#N)C1CCCC1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)N(CC#N)C1CCCC1)[*:1]
C/C(=C\C(=O)N(CC#N)C1CCCC1)C(C)(C)C C1CCC(C1)[*:1] C/C(=C\C(=O)N(CC#N)[*:1])C(C)(C)C
Cc1cccc(C(=O)N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1O Cc1cccc(c1O)[*:1] CC(C)Oc1cccc(c1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cccc(C(=O)N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1O CC(C)[*:1] Cc1cccc(C(=O)N2CCC[C@@H](C2)C(=O)c2cccc(c2)O[*:1])c1O
Cc1cccc(C(=O)N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1O CC(C)O[*:1] Cc1cccc(C(=O)N2CCC[C@@H](C2)C(=O)c2cccc(c2)[*:1])c1O
Cc1ccc(CC(=O)N(C)C2CCN(c3cccc(F)c3)CC2)cn1 Fc1cccc(c1)[*:1] Cc1ccc(cn1)CC(=O)N(C)C1CCN(CC1)[*:1]
Cc1ccc(CC(=O)N(C)C2CCN(c3cccc(F)c3)CC2)cn1 Cc1ccc(cn1)[*:1] CN(C(=O)C[*:1])C1CCN(CC1)c1cccc(F)c1
Cc1ccc(CC(=O)N(C)C2CCN(c3cccc(F)c3)CC2)cn1 Cc1ccc(cn1)C[*:1] CN(C(=O)[*:1])C1CCN(CC1)c1cccc(F)c1
CCNC(=O)C[C@H](C[NH3+])N(CC)C1CCCC1 CCNC(=O)[*:1] CCN(C1CCCC1)[C@@H](C[NH3+])C[*:1]
CCNC(=O)C[C@H](C[NH3+])N(CC)C1CCCC1 C1CCC(C1)[*:1] CCNC(=O)C[C@H](C[NH3+])N(CC)[*:1]
CSCc1cc(F)ccc1CNC(=O)N1CCC(CO)CC1 CSC[*:1] O=C(NCc1ccc(F)cc1[*:1])N1CCC(CO)CC1
CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 C1CCC(C1)[*:1] CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1[*:1]
CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 Clc1ccccc1[*:1] CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(n1C1CCCC1)[*:1]
CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 CCNC(=O)NC(=O)[*:1] C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)[*:1]
CCC[C@@H](CC)[NH2+][C@H]1CCc2cc(N)ccc21 CCC[*:1] CC[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)[*:1]
Cc1cc(S(=O)(=O)NNC(=O)C(C)(C)C)sc1C CC(C)(C)[*:1] Cc1cc(sc1C)S(=O)(=O)NNC(=O)[*:1]
CCn1c(C)cc(C(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c1C NC(=O)[*:1] CCn1c(C)cc(C(=O)Cn2nnc(n2)-c2ccc(cc2)[*:1])c1C
C[C@@H]([NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1)C1CCCCC1 C1C[C@H](CO1)O[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)[*:1])C1CCCCC1
C[C@@H]([NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)O[C@@H]1CCOC1)[*:1]
C[C@@H]([NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1)C1CCCCC1 C1C[C@H](CO1)[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)O[*:1])C1CCCCC1
Cc1ccc(C)c(C[NH+](CCC(N)=O)Cc2ccccc2)c1 NC(=O)[*:1] Cc1ccc(C)c(c1)C[NH+](CC[*:1])Cc1ccccc1
Cc1ccc(C)c(C[NH+](CCC(N)=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C[NH+](CCC(N)=O)C[*:1]
Cc1ccc(C)c(C[NH+](CCC(N)=O)Cc2ccccc2)c1 NC(=O)CC[*:1] Cc1ccc(C)c(c1)C[NH+](Cc1ccccc1)[*:1]
Cc1ccc(C)c(C[NH+](CCC(N)=O)Cc2ccccc2)c1 NC(=O)C[*:1] Cc1ccc(C)c(c1)C[NH+](Cc1ccccc1)C[*:1]
Cc1ccc(C)c(C[NH+](CCC(N)=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)C[NH+](CCC(N)=O)[*:1]
CC(=O)NCC(=O)N[C@H](C)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)NCC(=O)N[C@H](C)[C@H](C)[*:1]
CC(=O)NCC(=O)N[C@H](C)[C@H](C)c1ccccc1 CC(=O)N[*:1] C[C@@H](NC(=O)C[*:1])[C@H](C)c1ccccc1
CC(=O)NCC(=O)N[C@H](C)[C@H](C)c1ccccc1 CC(=O)NC[*:1] C[C@@H](NC(=O)[*:1])[C@H](C)c1ccccc1
O=C([O-])C[C@@H]1CN(c2snc3ccccc23)CCO1 O=C([O-])[*:1] c1ccc2c(snc2c1)N1CCO[C@@H](C1)C[*:1]
O=C([O-])C[C@@H]1CN(c2snc3ccccc23)CCO1 O=C([O-])C[*:1] c1ccc2c(snc2c1)N1CCO[C@@H](C1)[*:1]
Cc1cc(F)ccc1NC(=O)CCCN(C)C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1cc(F)ccc1NC(=O)CCCN(C)C(=O)O[*:1]
CC(=O)c1ccc2c(c1)Cc1cc(C(C)=O)ccc1-2 CC(=O)[*:1] CC(=O)c1ccc2c(c1)Cc1cc(ccc1-2)[*:1]
CC(C)C(=O)Nc1ccc2c([C@H](C(=O)[O-])[NH+]3CCN(CC(=O)N(C)C)CC3)c[nH]c2c1 CN(C)C(=O)C[*:1] CC(C)C(=O)Nc1ccc2c(c[nH]c2c1)[C@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
CC(C)C(=O)Nc1ccc2c([C@H](C(=O)[O-])[NH+]3CCN(CC(=O)N(C)C)CC3)c[nH]c2c1 CC(C)C(=O)N[*:1] CN(C)C(=O)CN1CC[NH+](CC1)[C@@H](C(=O)[O-])c1c[nH]c2cc(ccc12)[*:1]
CC(C)C(=O)Nc1ccc2c([C@H](C(=O)[O-])[NH+]3CCN(CC(=O)N(C)C)CC3)c[nH]c2c1 CN(C)C(=O)[*:1] CC(C)C(=O)Nc1ccc2c(c[nH]c2c1)[C@H](C(=O)[O-])[NH+]1CCN(CC1)C[*:1]
CC(C)C(=O)Nc1ccc2c([C@H](C(=O)[O-])[NH+]3CCN(CC(=O)N(C)C)CC3)c[nH]c2c1 CC(C)[*:1] CN(C)C(=O)CN1CC[NH+](CC1)[C@@H](C(=O)[O-])c1c[nH]c2cc(ccc12)NC(=O)[*:1]
O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CCCC[C@H]1OC1CCCC1 C1C[C@H](CO1)C[*:1] O=S(=O)(N[C@H]1CCCC[C@H]1OC1CCCC1)[*:1]
O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CCCC[C@@H]1[*:1]
O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CCCC[C@H]1O[*:1]
O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CCCC[C@H]1OC1CCCC1 C1C[C@H](CO1)[*:1] O=S(=O)(C[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
CC(C)(C[NH2+]C[C@@H]([O-])C(F)(F)F)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(C[NH2+]C[C@@H]([O-])C(F)(F)F)[*:1]
CC(C)(C[NH2+]C[C@@H]([O-])C(F)(F)F)S(C)(=O)=O FC(F)(F)[*:1] CC(C)(C[NH2+]C[C@@H]([O-])[*:1])S(C)(=O)=O
CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C#N)C(C)(C)C CCC[*:1] CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CSCN1C(=O)[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C#N)C(C)(C)C CC(C)(C)[*:1] CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C#N)[*:1]
CC(C)=CC[C@@H](O)[C@@]1(C)[C@H]2CC[C@H](C2)[C@@]1(C)O CC(C)=C[*:1] C[C@@]1(O)[C@@H]2CC[C@@H](C2)[C@]1(C)[C@H](O)C[*:1]
CC(C)=CC[C@@H](O)[C@@]1(C)[C@H]2CC[C@H](C2)[C@@]1(C)O CC(C)=CC[*:1] C[C@@]1(O)[C@@H]2CC[C@@H](C2)[C@]1(C)[C@H](O)[*:1]
CCOC(=O)[C@@H](C)c1nncn1CCOC COC[*:1] CCOC(=O)[C@@H](C)c1nncn1C[*:1]
CCOC(=O)[C@@H](C)c1nncn1CCOC COCC[*:1] CCOC(=O)[C@@H](C)c1nncn1[*:1]
CCOC(=O)[C@@H](C)c1nncn1CCOC CCOC(=O)[*:1] COCCn1cnnc1[C@H](C)[*:1]
CCN(CCC#N)C(=O)COc1ccc(Cl)cc1C=O N#CCC[*:1] CCN(C(=O)COc1ccc(Cl)cc1C=O)[*:1]
CCN(CCC#N)C(=O)COc1ccc(Cl)cc1C=O N#CC[*:1] CCN(C[*:1])C(=O)COc1ccc(Cl)cc1C=O
O=S(=O)(c1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 c1ccc(cc1)[*:1] O=S(=O)(N1CCC[C@@H]2CCCC[C@@H]21)[*:1]
O=C(Nc1cccc(F)c1F)N(Cc1ccncc1)C1CC1 c1cc(ccn1)[*:1] O=C(Nc1cccc(F)c1F)N(C[*:1])C1CC1
O=C(Nc1cccc(F)c1F)N(Cc1ccncc1)C1CC1 C1CC1[*:1] O=C(Nc1cccc(F)c1F)N(Cc1ccncc1)[*:1]
O=C(Nc1cccc(F)c1F)N(Cc1ccncc1)C1CC1 c1cc(ccn1)C[*:1] O=C(Nc1cccc(F)c1F)N(C1CC1)[*:1]
Cc1cnc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cn1 Cc1cnc(cn1)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[*:1]
Cc1cnc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cn1 c1coc(c1)[*:1] Cc1cnc(cn1)C(=O)NC[C@@H]([NH+]1CCCCC1)[*:1]
Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 Cc1cc(Cl)ccc1[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
ClCc1nc(Cl)c(I)c(C2CC2)n1 C1CC1[*:1] ClCc1nc(Cl)c(I)c(n1)[*:1]
O=C(Nc1ccccc1OCC1CC1)c1ccc(Oc2nccs2)cc1 c1csc(n1)O[*:1] O=C(Nc1ccccc1OCC1CC1)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1OCC1CC1)c1ccc(Oc2nccs2)cc1 c1csc(n1)[*:1] O=C(Nc1ccccc1OCC1CC1)c1ccc(cc1)O[*:1]
O=C(Nc1ccccc1OCC1CC1)c1ccc(Oc2nccs2)cc1 C1CC1[*:1] O=C(Nc1ccccc1OC[*:1])c1ccc(cc1)Oc1nccs1
O=C(Nc1ccccc1OCC1CC1)c1ccc(Oc2nccs2)cc1 C1CC1CO[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)Oc1nccs1
O=C(Nc1ccccc1OCC1CC1)c1ccc(Oc2nccs2)cc1 C1CC1C[*:1] O=C(Nc1ccccc1O[*:1])c1ccc(cc1)Oc1nccs1
CSc1ccc([C@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 O=C(N1CCOCC1)[*:1] CSc1ccc(cc1)[C@@H]1C2C(=O)CC(C)(C)CC=2NC(C)=C1[*:1]
CSc1ccc([C@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 CSc1ccc(cc1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)N1CCOCC1)[*:1]
c1ccc(-c2nnn3c2nc(N2CCOCC2)c2ccccc23)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)-c1nnn2c1nc(c1ccccc12)[*:1]
c1ccc(-c2nnn3c2nc(N2CCOCC2)c2ccccc23)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)c(nc1c(nnn12)[*:1])N1CCOCC1
Cc1nc(N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c2c3c(sc2n1)CCC3 Brc1ccc(nc1)[*:1] Cc1nc(c2c3CCCc3sc2n1)N1CCC(CC1)C(=O)N[*:1]
COC(=O)CCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 COC(=O)CC[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
COC(=O)CCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 COC(=O)C[*:1] O=C(C[*:1])NCC1CCN(CC1)c1cc[nH+]cc1
COC(=O)CCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 COC(=O)[*:1] O=C(CC[*:1])NCC1CCN(CC1)c1cc[nH+]cc1
CCC[C@H](CC(=O)OC)NC(=O)c1cc2c(F)cccc2[nH]1 COC(=O)C[*:1] CCC[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)[*:1]
CCC[C@H](CC(=O)OC)NC(=O)c1cc2c(F)cccc2[nH]1 CCC[*:1] COC(=O)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)[*:1]
CCC[C@H](CC(=O)OC)NC(=O)c1cc2c(F)cccc2[nH]1 COC(=O)[*:1] CCC[C@H](C[*:1])NC(=O)c1cc2c(F)cccc2[nH]1
O=C([O-])c1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(F)cc(Br)c1
CN1CCO[C@@H](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 O=C([O-])[*:1] CN1CCO[C@@H](CNS(=O)(=O)N2CCC(CC2)[*:1])C1
CN1CCO[C@@H](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 CN1CCO[C@@H](C1)[*:1] O=C([O-])C1CCN(CC1)S(=O)(=O)NC[*:1]
CC(C)N1C(=O)C[C@@H](Sc2csc(C(=O)[O-])c2)C1=O CC(C)[*:1] O=C([O-])c1cc(cs1)S[C@@H]1CC(=O)N(C1=O)[*:1]
CC(C)N1C(=O)C[C@@H](Sc2csc(C(=O)[O-])c2)C1=O O=C([O-])[*:1] CC(C)N1C(=O)C[C@@H](Sc2csc(c2)[*:1])C1=O
COC[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 COC[*:1] C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[*:1]
COC[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 COC[C@@H](C)[*:1] O=C(N[*:1])N1CCC[C@H]1C[NH+]1CCCCC1
CCOc1cccc2s/c(=N\C(=O)CN3C(=O)CCC3=O)n(CC)c12 CCO[*:1] CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cccc(c21)[*:1]
CCOc1cccc2s/c(=N\C(=O)CN3C(=O)CCC3=O)n(CC)c12 O=C1CCC(=O)N1C[*:1] CCOc1cccc2s/c(=N\C(=O)[*:1])n(CC)c12
CCOc1cccc2s/c(=N\C(=O)CN3C(=O)CCC3=O)n(CC)c12 O=C1CCC(=O)N1[*:1] CCOc1cccc2s/c(=N\C(=O)C[*:1])n(CC)c12
COc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccncc2)c2nccn2C)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)N[C@@H](c1nccn1C)[*:1])c1ccncc1
COc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccncc2)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@@H](NC(=O)N[C@@H](C)c1ccncc1)[*:1]
COc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccncc2)c2nccn2C)c1 c1cc(ccn1)[*:1] COc1cccc(c1)[C@@H](NC(=O)N[C@@H](C)[*:1])c1nccn1C
COc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccncc2)c2nccn2C)c1 C[C@@H](c1ccncc1)[*:1] COc1cccc(c1)[C@@H](NC(=O)N[*:1])c1nccn1C
CC(C)Cn1ncc(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)c1C1CC1 CC(C)C[*:1] CC(C)c1nc2[C@@H](CCCn2n1)NC(=O)c1cnn(c1C1CC1)[*:1]
CC(C)Cn1ncc(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)c1C1CC1 C1CC1[*:1] CC(C)Cn1ncc(C(=O)N[C@@H]2CCCn3nc(nc32)C(C)C)c1[*:1]
CC(C)Cn1ncc(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)c1C1CC1 CC(C)[*:1] CC(C)Cn1ncc(C(=O)N[C@@H]2CCCn3nc(nc32)[*:1])c1C1CC1
CC(C)Cn1ncc(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)c1C1CC1 CC(C)[*:1] CC(C)c1nc2[C@@H](CCCn2n1)NC(=O)c1cnn(C[*:1])c1C1CC1
COc1cccc(C[C@@H](C)[C@H](C)[NH2+]C2CC2)c1 C1CC1[*:1] COc1cccc(c1)C[C@@H](C)[C@H](C)[NH2+][*:1]
CC(C)n1cc(S(=O)(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cn1 c1c[nH]c(n1)[*:1] CC(C)n1cc(cn1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
CC(C)n1cc(S(=O)(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cn1 CC(C)[*:1] O=S(=O)(c1cnn(c1)[*:1])N1CCC[C@H](C1)c1ncc[nH]1
Cc1cccn2c(=O)c3cc(C(=O)Nc4ccccc4F)sc3nc12 Fc1ccccc1[*:1] Cc1cccn2c(=O)c3cc(sc3nc12)C(=O)N[*:1]
CCCC(=O)N1CCN(CC(N)=O)CC1 NC(=O)[*:1] CCCC(=O)N1CCN(CC1)C[*:1]
CCCC(=O)N1CCN(CC(N)=O)CC1 NC(=O)C[*:1] CCCC(=O)N1CCN(CC1)[*:1]
CCCC(=O)N1CCN(CC(N)=O)CC1 CCC[*:1] NC(=O)CN1CCN(CC1)C(=O)[*:1]
Cc1ccc(C)c([C@@H](C)NC(=O)c2cc3ccccc3oc2=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H](NC(=O)c1cc2ccccc2oc1=O)[*:1]
Cc1ncsc1CCCNC(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 Cc1ncsc1CC[*:1] O=C1C[C@H](C(=O)NC[*:1])c2cc(F)ccc2N1
Cc1ncsc1CCCNC(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 Cc1ncsc1[*:1] O=C1C[C@H](C(=O)NCCC[*:1])c2cc(F)ccc2N1
Cc1ncsc1CCCNC(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 Cc1ncsc1C[*:1] O=C1C[C@H](C(=O)NCC[*:1])c2cc(F)ccc2N1
CC[C@@]1(CC(=O)[O-])OC[C@H](Cc2ccccc2)c2c1[nH]c1ccccc21 O=C([O-])C[*:1] CC[C@]1(OC[C@H](Cc2ccccc2)c2c1[nH]c1ccccc21)[*:1]
CC[C@@]1(CC(=O)[O-])OC[C@H](Cc2ccccc2)c2c1[nH]c1ccccc21 c1ccc(cc1)[*:1] CC[C@@]1(CC(=O)[O-])OC[C@H](C[*:1])c2c1[nH]c1ccccc21
CC[C@@]1(CC(=O)[O-])OC[C@H](Cc2ccccc2)c2c1[nH]c1ccccc21 c1ccc(cc1)C[*:1] CC[C@@]1(CC(=O)[O-])OC[C@H](c2c1[nH]c1ccccc21)[*:1]
CC[C@@]1(CC(=O)[O-])OC[C@H](Cc2ccccc2)c2c1[nH]c1ccccc21 O=C([O-])[*:1] CC[C@@]1(C[*:1])OC[C@H](Cc2ccccc2)c2c1[nH]c1ccccc21
O=C(NCCCCn1cnnc1)N1CC[C@@H]2CCCC[C@@H]21 c1nncn1[*:1] O=C(NCCCC[*:1])N1CC[C@@H]2CCCC[C@@H]21
O=C(NCCCCn1cnnc1)N1CC[C@@H]2CCCC[C@@H]21 c1nncn1C[*:1] O=C(NCCC[*:1])N1CC[C@@H]2CCCC[C@@H]21
O=C(NCCCCn1cnnc1)N1CC[C@@H]2CCCC[C@@H]21 c1nncn1CC[*:1] O=C(NCC[*:1])N1CC[C@@H]2CCCC[C@@H]21
O=C([O-])c1cccc(Oc2ncc([N+](=O)[O-])cc2Br)c1 O=C([O-])[*:1] O=[N+]([O-])c1cnc(Oc2cccc(c2)[*:1])c(Br)c1
O=C([O-])c1cccc(Oc2ncc([N+](=O)[O-])cc2Br)c1 O=[N+]([O-])[*:1] O=C([O-])c1cccc(c1)Oc1ncc(cc1Br)[*:1]
CC[C@H](NC(=O)NCCc1cccc(O)c1)c1ccncc1 Oc1cccc(c1)[*:1] CC[C@H](NC(=O)NCC[*:1])c1ccncc1
CC[C@H](NC(=O)NCCc1cccc(O)c1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)NCCc1cccc(O)c1)[*:1]
Cc1ccn2c(C[NH+]3CCC(c4nc(C(F)(F)F)c[nH]4)CC3)cnc2c1 FC(F)(F)[*:1] Cc1ccn2c(cnc2c1)C[NH+]1CCC(CC1)c1nc(c[nH]1)[*:1]
CSc1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 C[C@H]1C[C@H]1[*:1] CSc1cccc(c1)NC(=O)[*:1]
CCC(CC)N(CC(C)C)C(=O)c1ccc(N)nc1 CCC(CC)[*:1] CC(C)CN(C(=O)c1ccc(N)nc1)[*:1]
CCC(CC)N(CC(C)C)C(=O)c1ccc(N)nc1 CC(C)[*:1] CCC(CC)N(C[*:1])C(=O)c1ccc(N)nc1
CCC(CC)N(CC(C)C)C(=O)c1ccc(N)nc1 CC(C)C[*:1] CCC(CC)N(C(=O)c1ccc(N)nc1)[*:1]
CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)NC3CC3)cc2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)Oc1ccc(cc1)[*:1])NC1CC1
CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)NC3CC3)cc2)cc1 C1CC1[*:1] CS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)NC(=O)N[*:1]
CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)NC3CC3)cc2)cc1 O=C(NC1CC1)N[*:1] CS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1]
CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 CC(=O)[*:1] O=C(CCNS(=O)(=O)c1cccc(c1)[*:1])N1CCC(CC1)c1nc2ccccc2o1
CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 CC(=O)c1cccc(c1)[*:1] O=C(CCNS(=O)(=O)[*:1])N1CCC(CC1)c1nc2ccccc2o1
CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 c1ccc2oc(nc2c1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)NCCC(=O)N1CCC(CC1)[*:1]
O=C(NCc1cscn1)N(Cc1c(F)cccc1F)C1CCCC1 C1CCC(C1)[*:1] O=C(NCc1cscn1)N(Cc1c(F)cccc1F)[*:1]
O=C(NCc1cscn1)N(Cc1c(F)cccc1F)C1CCCC1 c1nc(cs1)C[*:1] O=C(N[*:1])N(Cc1c(F)cccc1F)C1CCCC1
O=C(NCc1cscn1)N(Cc1c(F)cccc1F)C1CCCC1 Fc1cccc(F)c1[*:1] O=C(NCc1cscn1)N(C[*:1])C1CCCC1
O=C(NCc1cscn1)N(Cc1c(F)cccc1F)C1CCCC1 c1nc(cs1)[*:1] O=C(NC[*:1])N(Cc1c(F)cccc1F)C1CCCC1
Cc1ccc(-n2nc(C(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)c3c2CCC3)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1nn(c2CCCc12)[*:1]
CCc1nc2cc(NC(=O)c3cccnc3N(C)C)ccc2o1 CN(C)[*:1] CCc1nc2cc(ccc2o1)NC(=O)c1cccnc1[*:1]
CCSCc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1 c1cc(ccn1)C[*:1] CCSCc1ccc(cc1)C(=O)NNC(=O)[*:1]
CCSCc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1 CCS[*:1] O=C(Cc1ccncc1)NNC(=O)c1ccc(cc1)C[*:1]
CCSCc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1 CCSC[*:1] O=C(Cc1ccncc1)NNC(=O)c1ccc(cc1)[*:1]
CCSCc1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1 c1cc(ccn1)[*:1] CCSCc1ccc(cc1)C(=O)NNC(=O)C[*:1]
O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2cnccn2)CC1 Oc1ccc(Cl)cc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cnccn1
O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2cnccn2)CC1 c1cnc(cn1)[*:1] O=C(Nc1cc(Cl)ccc1O)C1CCN(CC1)C(=O)[*:1]
COC(=O)c1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1 COC(=O)[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)cc1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
COC(=O)c1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cc(cc(c1)[*:1])C(=O)Nc1nc(cs1)-c1ccc(Cl)cc1
COC(=O)c1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1nc(cs1)[*:1]
O=C(CNc1ccccc1[N+](=O)[O-])N(Cc1ccncc1)C1CC1 O=[N+]([O-])[*:1] O=C(CNc1ccccc1[*:1])N(Cc1ccncc1)C1CC1
O=C(CNc1ccccc1[N+](=O)[O-])N(Cc1ccncc1)C1CC1 C1CC1[*:1] O=C(CNc1ccccc1[N+](=O)[O-])N(Cc1ccncc1)[*:1]
O=C(CNc1ccccc1[N+](=O)[O-])N(Cc1ccncc1)C1CC1 c1cc(ccn1)[*:1] O=C(CNc1ccccc1[N+](=O)[O-])N(C[*:1])C1CC1
O=C(CNc1ccccc1[N+](=O)[O-])N(Cc1ccncc1)C1CC1 c1cc(ccn1)C[*:1] O=C(CNc1ccccc1[N+](=O)[O-])N(C1CC1)[*:1]
COc1cc(CNC(=O)CNC(=O)C(C)(C)C)ccn1 CC(C)(C)[*:1] COc1cc(ccn1)CNC(=O)CNC(=O)[*:1]
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sccc2n1C c1ccc(cc1)C[*:1] COC(=O)[C@H](NC(=O)c1cc2sccc2n1C)[*:1]
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sccc2n1C COC(=O)[*:1] Cn1c(cc2sccc21)C(=O)N[C@@H](Cc1ccccc1)[*:1]
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sccc2n1C c1ccc(cc1)[*:1] COC(=O)[C@H](C[*:1])NC(=O)c1cc2sccc2n1C
CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 CCC[*:1] CN(C(=O)Nc1cccc(c1)CC[NH+]1CCCC1)C1CC[NH+](CC1)[*:1]
CCc1nnc(CNc2ccn(-c3ncccc3Cl)n2)o1 CCc1nnc(o1)[*:1] Clc1cccnc1-n1ccc(n1)NC[*:1]
CCc1nnc(CNc2ccn(-c3ncccc3Cl)n2)o1 Clc1cccnc1[*:1] CCc1nnc(CNc2ccn(n2)[*:1])o1
C[NH+](C)CCOc1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)cc1 Oc1cccc(c1)[*:1] C[NH+](C)CCOc1ccc(cc1)CN1CCO[C@@H](C1)[*:1]
CCC(=O)Nc1cc(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)ccc1C CCC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)CSc1nnc2c3c4CCCCc4sc3nc(C)n12
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1NS(=O)(=O)c1ccccc1)[*:1]
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(NS(=O)(=O)[*:1])c(c1)[N+](=O)[O-]
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c(c1)[*:1]
Cc1n[nH]c(-c2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)N[C@@H]1C[C@@H]1[*:1]
Cc1n[nH]c(-c2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc(cc1)[*:1]
COC(=O)Cn1/c(=N\C(=O)c2ccnn2C(C)C)sc2ccccc21 COC(=O)C[*:1] CC(C)n1nccc1C(=O)/N=c1/sc2ccccc2n1[*:1]
COC(=O)Cn1/c(=N\C(=O)c2ccnn2C(C)C)sc2ccccc21 COC(=O)[*:1] CC(C)n1nccc1C(=O)/N=c1/sc2ccccc2n1C[*:1]
COC(=O)Cn1/c(=N\C(=O)c2ccnn2C(C)C)sc2ccccc21 CC(C)n1nccc1[*:1] COC(=O)Cn1/c(=N\C(=O)[*:1])sc2ccccc21
COC(=O)Cn1/c(=N\C(=O)c2ccnn2C(C)C)sc2ccccc21 CC(C)[*:1] COC(=O)Cn1/c(=N\C(=O)c2ccnn2[*:1])sc2ccccc21
Cc1cc(C)c2c(C)c(C(=O)N3CC[NH+](CC(=O)N4CCCC4)CC3)sc2n1 O=C(N1CCCC1)[*:1] Cc1cc(C)c2c(C)c(sc2n1)C(=O)N1CC[NH+](CC1)C[*:1]
Cc1cc(C)c2c(C)c(C(=O)N3CC[NH+](CC(=O)N4CCCC4)CC3)sc2n1 O=C(C[*:1])N1CCCC1 Cc1cc(C)c2c(C)c(sc2n1)C(=O)N1CC[NH+](CC1)[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])c1cccc(c1)-n1cccc1
CC(C)(C)NC(=O)c1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 c1ccn(c1)[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 CC(C)(C)NC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)-n1cccc1
Cc1ccc(C)c(S(=O)(=O)N[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)c1 Cc1ccc(C)c(c1)[*:1] C[NH+](C)CC[C@@H](NS(=O)(=O)[*:1])c1ccc(Cl)cc1
Cc1ccc(C)c(S(=O)(=O)N[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N[C@H](CC[NH+](C)C)[*:1]
O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(Cn1cnc2cc(ccc2c1=O)[N+](=O)[O-])N1N=C(C[C@@H]1[*:1])c1ccc(Cl)cc1
O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 O=[N+]([O-])[*:1] O=C(Cn1cnc2cc(ccc2c1=O)[*:1])N1N=C(C[C@H]1c1ccco1)c1ccc(Cl)cc1
O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 Clc1ccc(cc1)[*:1] O=C(Cn1cnc2cc(ccc2c1=O)[N+](=O)[O-])N1N=C(C[C@H]1c1ccco1)[*:1]
CN[C@H](C)c1cc[nH+]c(N2CCC[C@H](C(C)(C)C)CC2)c1 CN[C@H](C)[*:1] CC(C)(C)[C@H]1CCCN(CC1)c1cc(cc[nH+]1)[*:1]
CN[C@H](C)c1cc[nH+]c(N2CCC[C@H](C(C)(C)C)CC2)c1 CC(C)(C)[*:1] CN[C@H](C)c1cc[nH+]c(c1)N1CCC[C@H](CC1)[*:1]
CC[NH+]1CCN(CC(=O)N[C@@H](C)c2csc(C(C)C)n2)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)CC(=O)N[C@@H](C)c1csc(n1)[*:1]
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccc(Br)cc1 c1ccc(nc1)[*:1] O=C(CSc1ccc2nnc(n2n1)[*:1])Nc1ccc(Br)cc1
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N[*:1]
O=C(NC1CCN(C(=O)CC[C@@H]2NC(c3ncn[nH]3)=NO2)CC1)c1ccccc1 c1n[nH]c(n1)[*:1] O=C(NC1CCN(CC1)C(=O)CC[C@@H]1NC(=NO1)[*:1])c1ccccc1
O=C(NC1CCN(C(=O)CC[C@@H]2NC(c3ncn[nH]3)=NO2)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(CC[C@@H]1NC(=NO1)c1ncn[nH]1)N1CCC(CC1)[*:1]
O=C(NC1CCN(C(=O)CC[C@@H]2NC(c3ncn[nH]3)=NO2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CC[C@@H]1NC(=NO1)c1ncn[nH]1)N1CCC(CC1)NC(=O)[*:1]
Cc1nnc(SCC(=O)NC[C@H](C)O)s1 C[C@H](O)C[*:1] Cc1nnc(SCC(=O)N[*:1])s1
Cc1nnc(SCC(=O)NC[C@H](C)O)s1 C[C@H](O)[*:1] Cc1nnc(SCC(=O)NC[*:1])s1
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)c1ccc(Br)s1)C2=O O=C(c1ccc(Br)s1)[*:1] C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OC[*:1])C2=O
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)c1ccc(Br)s1)C2=O Brc1ccc(s1)[*:1] C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)[*:1])C2=O
CCc1cc(NC(=O)C(=O)NCc2cc(F)cc(OC)c2)n(C)n1 CCc1cc(n(C)n1)[*:1] COc1cc(F)cc(c1)CNC(=O)C(=O)N[*:1]
O=C(CCSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 c1cncc(c1)[*:1] O=C(CCSc1nnc(n1-c1ccccc1)[*:1])Nc1ccc(Cl)cc1
O=C(CCSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(CCSc1nnc(-c2cccnc2)n1[*:1])Nc1ccc(Cl)cc1
O=C(CCSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCSc1nnc(-c2cccnc2)n1-c1ccccc1)N[*:1]
O=C(CCSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] c1ccc(cc1)-n1c(nnc1-c1cccnc1)SCC[*:1]
CCNC(=O)c1cccc(OC(=O)c2cccc(F)c2OCC)c1 CCNC(=O)[*:1] CCOc1c(F)cccc1C(=O)Oc1cccc(c1)[*:1]
CCNC(=O)c1cccc(OC(=O)c2cccc(F)c2OCC)c1 CCO[*:1] CCNC(=O)c1cccc(c1)OC(=O)c1cccc(F)c1[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)N1CCN(CC1)Cc1ccc(Cl)s1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(C[*:1])s1 Cc1ccc(cc1NC(=O)N1CCN(CC1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] Cc1ccc(cc1NC(=O)N1CCN(CC1)C[*:1])[N+](=O)[O-]
Cn1ncnc1CCNc1nc2ccccc2cc1CO Cn1ncnc1[*:1] OCc1cc2ccccc2nc1NCC[*:1]
Cn1ncnc1CCNc1nc2ccccc2cc1CO Cn1ncnc1C[*:1] OCc1cc2ccccc2nc1NC[*:1]
NC(=O)[C@@H]1CN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCO1 c1ccc(cc1)CC[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)NCc1[nH+]ccn1C[*:1]
NC(=O)[C@@H]1CN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCO1 c1ccc(cc1)CCC[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)NCc1[nH+]ccn1[*:1]
NC(=O)[C@@H]1CN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCO1 c1ccc(cc1)C[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)NCc1[nH+]ccn1CC[*:1]
NC(=O)[C@@H]1CN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCO1 NC(=O)[*:1] O=C(NCc1[nH+]ccn1CCCc1ccccc1)N1CCO[C@@H](C1)[*:1]
NC(=O)[C@@H]1CN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCO1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)NCc1[nH+]ccn1CCC[*:1]
Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2Cl)no1 Cc1cc(no1)[*:1] O=C(Nc1ccccc1Oc1ccccc1Cl)[*:1]
Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2Cl)no1 Clc1ccccc1[*:1] Cc1cc(no1)C(=O)Nc1ccccc1O[*:1]
Cc1noc(C)c1S(=O)(=O)N1CC[NH+]([C@H]2CC[C@@H](C)C2)CC1 Cc1noc(C)c1[*:1] C[C@@H]1CC[C@@H](C1)[NH+]1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCCc1cccc(F)c1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 Fc1cccc(c1)[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(C1)c1n[nH]c2ccccc12
O=C(NCCc1cccc(F)c1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 Fc1cccc(c1)CC[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1n[nH]c2ccccc12
O=C(NCCc1cccc(F)c1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 Fc1cccc(c1)C[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)c1n[nH]c2ccccc12
O=C(NCCc1cccc(F)c1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 c1ccc2c(n[nH]c2c1)[*:1] O=C(NCCc1cccc(F)c1)[C@H]1CC(=O)N(C1)[*:1]
Cc1cc(O[C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)ccc1Cl Cc1cc(ccc1Cl)[*:1] C[C@H](O[*:1])C(=O)N/N=C/c1ccc2OCOc2c1
COCCN(CC(=O)[O-])C(=O)N(C)[C@H]1CCCC[C@H]1C O=C([O-])[*:1] COCCN(C[*:1])C(=O)N(C)[C@H]1CCCC[C@H]1C
COCCN(CC(=O)[O-])C(=O)N(C)[C@H]1CCCC[C@H]1C O=C([O-])C[*:1] COCCN(C(=O)N(C)[C@H]1CCCC[C@H]1C)[*:1]
COCCN(CC(=O)[O-])C(=O)N(C)[C@H]1CCCC[C@H]1C COCC[*:1] C[C@@H]1CCCC[C@@H]1N(C)C(=O)N(CC(=O)[O-])[*:1]
COCCN(CC(=O)[O-])C(=O)N(C)[C@H]1CCCC[C@H]1C COC[*:1] C[C@@H]1CCCC[C@@H]1N(C)C(=O)N(CC(=O)[O-])C[*:1]
COc1ccnc(N2CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)n1 COc1ccnc(n1)[*:1] O=C(c1cn(nn1)-c1ccccc1)N1CCN(CC1)[*:1]
COc1ccnc(N2CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)n1 c1ccc(cc1)[*:1] COc1ccnc(n1)N1CCN(CC1)C(=O)c1cn(nn1)[*:1]
[NH3+]CCOc1ccccc1NC(=O)C1CCCC1 [NH3+]CCO[*:1] O=C(Nc1ccccc1[*:1])C1CCCC1
[NH3+]CCOc1ccccc1NC(=O)C1CCCC1 C1CCC(C1)[*:1] [NH3+]CCOc1ccccc1NC(=O)[*:1]
Cc1cccc(O[C@H](C)C(=O)N(CCO)Cc2ccccc2)c1 OCC[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N(Cc1ccccc1)[*:1]
Cc1cccc(O[C@H](C)C(=O)N(CCO)Cc2ccccc2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N(CCO)Cc1ccccc1
Cc1cccc(O[C@H](C)C(=O)N(CCO)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N(CCO)[*:1]
Cc1cccc(O[C@H](C)C(=O)N(CCO)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N(CCO)C[*:1]
CCNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](C)C2 CCN[*:1] C[C@H]1CC(=O)c2c(C1)nc(nc2[*:1])N1CCN(CC1)C(=O)c1ccco1
CCNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](C)C2 c1coc(c1)[*:1] CCNc1nc(nc2C[C@@H](C)CC(=O)c21)N1CCN(CC1)C(=O)[*:1]
C[C@@H]1C[NH+](CC[NH2+][C@@H](C)[C@@H]2CCCO2)C[C@H]1C C1CO[C@@H](C1)[*:1] C[C@@H]1C[NH+](CC[NH2+][C@@H](C)[*:1])C[C@H]1C
CC1(C)CC[C@H](CN2CC[NH+](C3CC3)CC2)C1=O C1CC1[*:1] CC1(C)CC[C@H](CN2CC[NH+](CC2)[*:1])C1=O
O=C1C[C@H](c2ccccc2Cl)[C@H]2C(=O)N=C(c3ccccc3)N=C2N1 c1ccc(cc1)[*:1] O=C1C[C@H](c2ccccc2Cl)[C@H]2C(=O)N=C(N=C2N1)[*:1]
O=C1C[C@H](c2ccccc2Cl)[C@H]2C(=O)N=C(c3ccccc3)N=C2N1 Clc1ccccc1[*:1] O=C1C[C@H]([C@H]2C(=O)N=C(N=C2N1)c1ccccc1)[*:1]
O=C(Nc1nnc(-c2ccco2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 c1coc(c1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCCC1
CNC(=O)c1ccc(C2CC[NH2+]CC2)nc1 CNC(=O)[*:1] c1cc(ncc1[*:1])C1CC[NH2+]CC1
CC(C)CC(C)(C)CNC(=O)N1CCCC[C@@H]1C1OCCO1 CC(C)[*:1] CC(C)(CNC(=O)N1CCCC[C@@H]1C1OCCO1)C[*:1]
CC(C)CC(C)(C)CNC(=O)N1CCCC[C@@H]1C1OCCO1 CC(C)C[*:1] CC(C)(CNC(=O)N1CCCC[C@@H]1C1OCCO1)[*:1]
CC(C)CC(C)(C)CNC(=O)N1CCCC[C@@H]1C1OCCO1 CC(C)CC(C)(C)[*:1] O=C(NC[*:1])N1CCCC[C@@H]1C1OCCO1
CC(C)CC(C)(C)CNC(=O)N1CCCC[C@@H]1C1OCCO1 C1COC(O1)[*:1] CC(C)CC(C)(C)CNC(=O)N1CCCC[C@H]1[*:1]
CCc1ccc([C@H](C)NC(=O)NCCc2cccc(C(=O)NC)c2)cc1 CNC(=O)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)NCCc1cccc(c1)[*:1]
CCc1ccc([C@H](C)NC(=O)NCCc2cccc(C(=O)NC)c2)cc1 CCc1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)CCNC(=O)N[C@@H](C)[*:1]
COc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1C NC(=O)[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1ccccc1[*:1]
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccccc1)N[*:1]
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)NCc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)[*:1])NCc1ccc(Cl)cc1
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccccc1)NC[*:1]
Cc1ccc(NC(=O)C(=O)NCCc2ccc(OC(C)C)cc2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] CC(C)Oc1ccc(cc1)CCNC(=O)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCCc2ccc(OC(C)C)cc2)c(Cl)c1 CC(C)[*:1] Cc1ccc(NC(=O)C(=O)NCCc2ccc(cc2)O[*:1])c(Cl)c1
Cc1ccc(NC(=O)C(=O)NCCc2ccc(OC(C)C)cc2)c(Cl)c1 CC(C)O[*:1] Cc1ccc(NC(=O)C(=O)NCCc2ccc(cc2)[*:1])c(Cl)c1
Cc1coc(-c2ccc(C)c(NC(=O)Nc3cncc4ccccc34)c2)n1 Cc1coc(n1)[*:1] Cc1ccc(cc1NC(=O)Nc1cncc2ccccc12)[*:1]
NC(=O)c1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1 NC(=O)[*:1] O=C(NCc1ccc(o1)-c1ccc(Cl)cc1)c1ccc(nc1)[*:1]
NC(=O)c1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1 Clc1ccc(cc1)[*:1] NC(=O)c1ccc(cn1)C(=O)NCc1ccc(o1)[*:1]
O=C(O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)C1=COCCO1 c1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[*:1])C1=COCCO1
O=C(O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)C1=COCCO1 FC(F)(F)[*:1] O=C(O[C@@H](C(=O)Nc1ccc(Cl)cc1[*:1])c1ccccc1)C1=COCCO1
O=[N+]([O-])/C=C/c1ccc2c(c1)CCCO2 O=[N+]([O-])C=C[*:1] c1cc2OCCCc2cc1[*:1]
O=[N+]([O-])/C=C/c1ccc2c(c1)CCCO2 O=[N+]([O-])[*:1] C(=C[*:1])c1ccc2OCCCc2c1
CC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccccc1Sc1ccccc1[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1Sc1ccccc1[N+](=O)[O-]
CC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])c1ccccc1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccccc1S[*:1]
O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cc(on1)[*:1]
C#CCN(CC#C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] C#CCN(CC#C)CC(=O)Nc1ccc(cc1OC)[*:1]
C#CCN(CC#C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC C#CC[*:1] C#CCN(CC(=O)Nc1ccc(cc1OC)[N+](=O)[O-])[*:1]
COC[C@H]1CN(C(=O)Nc2ccc(C(C)=O)c(C)c2)CCO1 CC(=O)[*:1] COC[C@H]1CN(CCO1)C(=O)Nc1ccc(c(C)c1)[*:1]
COC[C@H]1CN(C(=O)Nc2ccc(C(C)=O)c(C)c2)CCO1 COC[*:1] CC(=O)c1ccc(cc1C)NC(=O)N1CCO[C@H](C1)[*:1]
CCn1cc(/C=N/NC(=O)CSc2ncn[nH]2)cn1 c1n[nH]c(n1)S[*:1] CCn1cc(/C=N/NC(=O)C[*:1])cn1
CCn1cc(/C=N/NC(=O)CSc2ncn[nH]2)cn1 c1n[nH]c(n1)[*:1] CCn1cc(/C=N/NC(=O)CS[*:1])cn1
O=C1N=NC=C(NCc2ccccc2Cn2cccn2)[C@@H]1Cl c1cnn(c1)[*:1] O=C1N=NC=C(NCc2ccccc2C[*:1])[C@@H]1Cl
O=C1N=NC=C(NCc2ccccc2Cn2cccn2)[C@@H]1Cl c1cnn(c1)C[*:1] O=C1N=NC=C(NCc2ccccc2[*:1])[C@@H]1Cl
Cc1cc(CSc2ncccc2C(=O)Nc2ccc(F)cc2)no1 Cc1cc(CS[*:1])no1 O=C(Nc1ccc(F)cc1)c1cccnc1[*:1]
Cc1cc(CSc2ncccc2C(=O)Nc2ccc(F)cc2)no1 Cc1cc(C[*:1])no1 O=C(Nc1ccc(F)cc1)c1cccnc1S[*:1]
Cc1cc(CSc2ncccc2C(=O)Nc2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] Cc1cc(CSc2ncccc2C(=O)N[*:1])no1
Cc1cc(CSc2ncccc2C(=O)Nc2ccc(F)cc2)no1 Cc1cc(no1)[*:1] O=C(Nc1ccc(F)cc1)c1cccnc1SC[*:1]
CC(C)CCC(=O)N1CCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1 CC(C)[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)[C@@H]1Cc2cc(F)ccc2O1
CC(C)CCC(=O)N1CCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1 CC(C)CC[*:1] O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCN(CC1)C(=O)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1 CC(C)C[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)[C@@H]1Cc2cc(F)ccc2O1
COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)c1 CS(=O)(=O)[*:1] COc1cc(cc(c1)C(=O)Nc1nnc(o1)-c1ccc(cc1)[*:1])OC
COc1cccc(N2CCN(C(=O)CSc3cc(C)ccc3C)CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(C)c(c1)SCC(=O)N1CCN(CC1)[*:1]
COc1cccc(N2CCN(C(=O)CSc3cc(C)ccc3C)CC2)c1 Cc1ccc(C)c(c1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)CS[*:1]
CCCn1c(CN2CC=C(c3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 O=S(=O)(N1CCOCC1)[*:1] CCCn1c(CN2CC=C(CC2)c2ccccc2)nc2cc(ccc21)[*:1]
CCCn1c(CN2CC=C(c3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 c1ccc(cc1)[*:1] CCCn1c(CN2CC=C(CC2)[*:1])nc2cc(ccc21)S(=O)(=O)N1CCOCC1
CCCn1c(CN2CC=C(c3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 CCC[*:1] O=S(=O)(c1ccc2c(c1)nc(CN1CC=C(CC1)c1ccccc1)n2[*:1])N1CCOCC1
CC(C)c1nnc([N-]S(=O)(=O)c2cccnc2)s1 c1cncc(c1)[*:1] CC(C)c1nnc([N-]S(=O)(=O)[*:1])s1
CC(C)c1nnc([N-]S(=O)(=O)c2cccnc2)s1 CC(C)[*:1] O=S(=O)([N-]c1nnc(s1)[*:1])c1cccnc1
Cc1noc(C)c1CCC/[NH+]=C(/N)N[C@H]1CCOc2ccccc21 Cc1noc(C)c1[*:1] N/C(N[C@H]1CCOc2ccccc21)=[NH+]/CCC[*:1]
Cc1noc(C)c1CCC/[NH+]=C(/N)N[C@H]1CCOc2ccccc21 Cc1noc(C)c1C[*:1] N/C(N[C@H]1CCOc2ccccc21)=[NH+]/CC[*:1]
Cn1cnc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 Cn1cnc(c1)[*:1] O=S(=O)(N1CC[C@@H]2CCCC[C@@H]21)[*:1]
Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3c(F)cccc3F)n2)cc1NC(=O)C(C)C CC(C)C(=O)N[*:1] Cc1ccc(cc1[*:1])-c1ccc(=O)n(CC(=O)Nc2c(F)cccc2F)n1
Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3c(F)cccc3F)n2)cc1NC(=O)C(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)[*:1])-c1ccc(=O)n(CC(=O)Nc2c(F)cccc2F)n1
Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3c(F)cccc3F)n2)cc1NC(=O)C(C)C Fc1cccc(F)c1[*:1] Cc1ccc(cc1NC(=O)C(C)C)-c1ccc(=O)n(CC(=O)N[*:1])n1
CCc1nc(-c2ccc(-c3noc(C4CCCCC4)n3)cc2)cs1 CCc1nc(cs1)[*:1] c1cc(ccc1-c1noc(n1)C1CCCCC1)[*:1]
CCc1nc(-c2ccc(-c3noc(C4CCCCC4)n3)cc2)cs1 C1CCC(CC1)[*:1] CCc1nc(cs1)-c1ccc(cc1)-c1noc(n1)[*:1]
CS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)NCC(F)F)cn2)C1 FC(F)C[*:1] CS(=O)(=O)N1CCC[C@@H](C1)c1ccc(cn1)C(=O)N[*:1]
CS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)NCC(F)F)cn2)C1 FC(F)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)c1ccc(cn1)C(=O)NC[*:1]
CS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)NCC(F)F)cn2)C1 O=C(NCC(F)F)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)c1ccc(cn1)[*:1]
Clc1ccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)o1 c1ncn(C[*:1])n1 Clc1ccc(C[NH2+][C@H](c2ccccc2)[*:1])o1
Clc1ccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)o1 Clc1ccc(C[*:1])o1 c1ccc(cc1)[C@@H](Cn1cncn1)[NH2+][*:1]
Clc1ccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)o1 c1ccc(cc1)[*:1] Clc1ccc(C[NH2+][C@H](Cn2cncn2)[*:1])o1
Clc1ccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)o1 Clc1ccc(o1)[*:1] c1ccc(cc1)[C@@H](Cn1cncn1)[NH2+]C[*:1]
Clc1ccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)o1 c1ncn(n1)[*:1] Clc1ccc(C[NH2+][C@H](C[*:1])c2ccccc2)o1
C[C@@H]1CCC[C@]([C@H](N)c2cccs2)([NH+](C)C)C1 c1csc(c1)[*:1] C[C@@H]1CCC[C@](C1)([C@H](N)[*:1])[NH+](C)C
O=C(CBr)c1c(F)cc(F)cc1F O=C(CBr)[*:1] Fc1cc(F)c(c(F)c1)[*:1]
NC(=O)c1cccc(CCNc2cc(-n3cccn3)nc(N)n2)c1 c1cnn(c1)[*:1] NC(=O)c1cccc(c1)CCNc1cc(nc(N)n1)[*:1]
NC(=O)c1cccc(CCNc2cc(-n3cccn3)nc(N)n2)c1 NC(=O)[*:1] Nc1nc(cc(n1)-n1cccn1)NCCc1cccc(c1)[*:1]
CC(C)n1cnnc1C[NH+](C)Cc1nc2ccccc2n1C CC(C)[*:1] Cn1c(C[NH+](C)Cc2nncn2[*:1])nc2ccccc21
O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccccc1 C1CC1c1noc(n1)[*:1] O=C(Cn1c(=O)cc(c2ccccc21)[*:1])NCc1ccccc1
O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccccc1 C1CC1[*:1] O=C(Cn1c(=O)cc(-c2nc(no2)[*:1])c2ccccc21)NCc1ccccc1
O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cn1c(=O)cc(-c2nc(no2)C2CC2)c2ccccc21)N[*:1]
O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)cc(-c2nc(no2)C2CC2)c2ccccc21)NC[*:1]
O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] O=c1cc(-c2nc(no2)C2CC2)c2ccccc2n1C[*:1]
Cc1cc(S(=O)(=O)[O-])c2ccccc2c1N O=S(=O)([O-])[*:1] Cc1cc(c2ccccc2c1N)[*:1]
CC(=O)c1ccccc1NC(=O)CNc1c(C)cccc1C(=O)N1CCCC1 CC(=O)c1ccccc1[*:1] Cc1cccc(C(=O)N2CCCC2)c1NCC(=O)N[*:1]
CC(=O)c1ccccc1NC(=O)CNc1c(C)cccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(=O)c1ccccc1NC(=O)CNc1c(C)cccc1[*:1]
CC(=O)c1ccccc1NC(=O)CNc1c(C)cccc1C(=O)N1CCCC1 CC(=O)[*:1] Cc1cccc(C(=O)N2CCCC2)c1NCC(=O)Nc1ccccc1[*:1]
C=CCSc1nc([O-])c2nc[nH]c2n1 C=CC[*:1] [O-]c1nc(nc2[nH]cnc12)S[*:1]
C=CCSc1nc([O-])c2nc[nH]c2n1 C=CCS[*:1] [O-]c1nc(nc2[nH]cnc12)[*:1]
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] C[C@@H](CN1CCN(CC1)c1ccccc1)NC(=O)NCC[*:1]
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCc1ccccn1 c1ccc(CC[*:1])nc1 C[C@@H](CN1CCN(CC1)c1ccccc1)NC(=O)N[*:1]
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCc1ccccn1 c1ccc(C[*:1])nc1 C[C@@H](CN1CCN(CC1)c1ccccc1)NC(=O)NC[*:1]
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCc1ccccn1 c1ccc(cc1)[*:1] C[C@@H](CN1CCN(CC1)[*:1])NC(=O)NCCc1ccccn1
COC(=O)c1ccc(I)cc1OC COC(=O)[*:1] COc1cc(I)ccc1[*:1]
O=C(NCCOCC1CC1)NC1CCC(CO)CC1 C1CC1CO[*:1] O=C(NCC[*:1])NC1CCC(CO)CC1
O=C(NCCOCC1CC1)NC1CCC(CO)CC1 C1CC1C[*:1] O=C(NCCO[*:1])NC1CCC(CO)CC1
O=C(NCCOCC1CC1)NC1CCC(CO)CC1 C1CC1[*:1] O=C(NCCOC[*:1])NC1CCC(CO)CC1
O=C(NCCOCC1CC1)NC1CCC(CO)CC1 C1CC1COC[*:1] O=C(NC[*:1])NC1CCC(CO)CC1
COC[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)C1 COC[*:1] Cc1c(Cl)cc(cc1Cl)NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCNC(=O)[C@@H]2C(C)C)c1C CC(C)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCNC(=O)[C@H]2[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCNC(=O)[C@@H]2C(C)C)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)CN2CCNC(=O)[C@@H]2C(C)C)c(C)c1[*:1]
CC1=C2[C@H](c3ccc(C#N)cc3)SCC(=O)N[C@@H]2N(C2=NC=NC3=NC=N[C@@H]32)N1 N#Cc1ccc(cc1)[*:1] CC1NN(C2=NC=NC3=NC=N[C@@H]32)[C@H]2NC(=O)CS[C@@H](C=12)[*:1]
CC[C@H](C(=O)N(C)Cc1nc(-c2ccncc2)no1)n1cccn1 c1cc(ccn1)[*:1] CC[C@H](C(=O)N(C)Cc1nc(no1)[*:1])n1cccn1
CC[C@H](C(=O)N(C)Cc1nc(-c2ccncc2)no1)n1cccn1 c1cnn(c1)[*:1] CC[C@H](C(=O)N(C)Cc1nc(no1)-c1ccncc1)[*:1]
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCC1(C)Cc2ccccc2C1 CS(=O)(=O)[*:1] Cc1ccc(cc1S(=O)(=O)NCC1(C)Cc2ccccc2C1)[*:1]
FC(F)(F)COCCCNc1ccc(Cl)c(Br)c1 FC(F)(F)CO[*:1] Clc1ccc(cc1Br)NCCC[*:1]
FC(F)(F)COCCCNc1ccc(Cl)c(Br)c1 FC(F)(F)[*:1] Clc1ccc(cc1Br)NCCCOC[*:1]
FC(F)(F)COCCCNc1ccc(Cl)c(Br)c1 FC(F)(F)C[*:1] Clc1ccc(cc1Br)NCCCO[*:1]
Cc1ncc([C@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)s1 Cc1ncc(s1)[*:1] C[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)[*:1]
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Oc1ccccc1Cl O=[N+]([O-])[*:1] C[C@@H](CNC(=O)c1ccc(cc1F)[*:1])Oc1ccccc1Cl
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Oc1ccccc1Cl Clc1ccccc1O[*:1] C[C@@H](CNC(=O)c1ccc(cc1F)[N+](=O)[O-])[*:1]
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Oc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](CNC(=O)c1ccc(cc1F)[N+](=O)[O-])O[*:1]
COc1ccc2oc(C(=O)NC[C@H]3CCCN(c4ncccn4)C3)c(C)c2c1 c1cnc(nc1)[*:1] COc1ccc2oc(C(=O)NC[C@H]3CCCN(C3)[*:1])c(C)c2c1
CSCC[C@H](C)NC(=O)N1CCC[C@H]1c1nc2ccccc2s1 CSCC[*:1] C[C@H](NC(=O)N1CCC[C@H]1c1nc2ccccc2s1)[*:1]
CSCC[C@H](C)NC(=O)N1CCC[C@H]1c1nc2ccccc2s1 CSC[*:1] C[C@@H](C[*:1])NC(=O)N1CCC[C@H]1c1nc2ccccc2s1
CSCC[C@H](C)NC(=O)N1CCC[C@H]1c1nc2ccccc2s1 CSCC[C@H](C)[*:1] O=C(N[*:1])N1CCC[C@H]1c1nc2ccccc2s1
CNS(=O)(=O)[C@H]1CCN(c2ncnc3sc(C)cc23)C1 CNS(=O)(=O)[*:1] Cc1cc2c(ncnc2s1)N1CC[C@@H](C1)[*:1]
CCC(CC)[NH+](C)Cc1nc(-c2ccoc2)no1 c1cc(co1)[*:1] CCC(CC)[NH+](C)Cc1nc(no1)[*:1]
CCC(CC)[NH+](C)Cc1nc(-c2ccoc2)no1 CCC(CC)[*:1] C[NH+](Cc1nc(no1)-c1ccoc1)[*:1]
CC1CCN(c2ccc(CNS(=O)(=O)N(C)CCC#N)c[nH+]2)CC1 CC1CCN(CC1)[*:1] CN(CCC#N)S(=O)(=O)NCc1ccc([nH+]c1)[*:1]
CC1CCN(c2ccc(CNS(=O)(=O)N(C)CCC#N)c[nH+]2)CC1 N#CCC[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNS(=O)(=O)N(C)[*:1]
CC1CCN(c2ccc(CNS(=O)(=O)N(C)CCC#N)c[nH+]2)CC1 N#CC[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNS(=O)(=O)N(C)C[*:1]
CCCOc1cc([N+](=O)[O-])c(Cl)cc1NC(C)=O CCCO[*:1] CC(=O)Nc1cc(Cl)c(cc1[*:1])[N+](=O)[O-]
CCCOc1cc([N+](=O)[O-])c(Cl)cc1NC(C)=O CC(=O)N[*:1] CCCOc1cc(c(Cl)cc1[*:1])[N+](=O)[O-]
CCCOc1cc([N+](=O)[O-])c(Cl)cc1NC(C)=O CCC[*:1] CC(=O)Nc1cc(Cl)c(cc1O[*:1])[N+](=O)[O-]
CCCOc1cc([N+](=O)[O-])c(Cl)cc1NC(C)=O O=[N+]([O-])[*:1] CCCOc1cc(c(Cl)cc1NC(C)=O)[*:1]
CCOC(=O)c1cccc(NC(=O)CSc2ccccc2N)c1 Nc1ccccc1[*:1] CCOC(=O)c1cccc(c1)NC(=O)CS[*:1]
CCOC(=O)c1cccc(NC(=O)CSc2ccccc2N)c1 CCOC(=O)[*:1] Nc1ccccc1SCC(=O)Nc1cccc(c1)[*:1]
C[C@@H](C(=O)c1ccccc1)n1cnc2ccc(F)cc2c1=O c1ccc(cc1)[*:1] C[C@@H](C(=O)[*:1])n1cnc2ccc(F)cc2c1=O
COC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1ccc(OC)cc1)N=C(C)/C(=C(/[O-])OC)[C@@H]2c1ccccn1 COc1ccc(cc1)[*:1] COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1[*:1])N=C(C)/C(=C(/[O-])OC)[C@@H]2c1ccccn1
COC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1ccc(OC)cc1)N=C(C)/C(=C(/[O-])OC)[C@@H]2c1ccccn1 c1ccc(nc1)[*:1] COC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1ccc(cc1)OC)N=C(C)/C(=C(/[O-])OC)[C@H]2[*:1]
COC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1ccc(OC)cc1)N=C(C)/C(=C(/[O-])OC)[C@@H]2c1ccccn1 COC(=O)[*:1] CO/C([O-])=C1\C(C)=NC2C[C@@H](c3ccc(cc3)OC)[C@H](C(=O)C=2[C@H]1c1ccccn1)[*:1]
Cn1ccnc1[C@@H](NC(=O)NCCNS(C)(=O)=O)c1ccc(F)cc1 CS(=O)(=O)NCC[*:1] Cn1ccnc1[C@@H](NC(=O)N[*:1])c1ccc(F)cc1
Cn1ccnc1[C@@H](NC(=O)NCCNS(C)(=O)=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)NCCNS(C)(=O)=O)[*:1]
Cn1ccnc1[C@@H](NC(=O)NCCNS(C)(=O)=O)c1ccc(F)cc1 CS(=O)(=O)NC[*:1] Cn1ccnc1[C@@H](NC(=O)NC[*:1])c1ccc(F)cc1
Cn1ccnc1[C@@H](NC(=O)NCCNS(C)(=O)=O)c1ccc(F)cc1 CS(=O)(=O)N[*:1] Cn1ccnc1[C@@H](NC(=O)NCC[*:1])c1ccc(F)cc1
Cn1ccnc1[C@@H](NC(=O)NCCNS(C)(=O)=O)c1ccc(F)cc1 Cn1ccnc1[*:1] CS(=O)(=O)NCCNC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1cccc(c1)[*:1]
CCOC(=O)C(F)(F)Oc1cc(C)ccc1C CCOC(=O)[*:1] Cc1ccc(C)c(c1)OC(F)(F)[*:1]
CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 CC(C)[*:1] O=C(N[C@]1(C(=O)Nc2c1c(=O)[nH]c(=O)n2C[*:1])C(F)(F)F)c1ccccc1F
CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 O=C(N[*:1])c1ccccc1F CC(C)Cn1c2NC(=O)[C@](c2c(=O)[nH]c1=O)(C(F)(F)F)[*:1]
CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 CC(C)C[*:1] O=C(N[C@]1(C(=O)Nc2c1c(=O)[nH]c(=O)n2[*:1])C(F)(F)F)c1ccccc1F
CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 Fc1ccccc1[*:1] CC(C)Cn1c2NC(=O)[C@](NC(=O)[*:1])(c2c(=O)[nH]c1=O)C(F)(F)F
CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 FC(F)(F)[*:1] CC(C)Cn1c2NC(=O)[C@@](NC(=O)c3ccccc3F)(c2c(=O)[nH]c1=O)[*:1]
CC[NH2+]CC(C)(C)COCc1cccs1 c1csc(c1)[*:1] CC[NH2+]CC(C)(C)COC[*:1]
O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1(c2cc(-c3ccccc3)on2)CC1 FC(F)(F)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])C1(CC1)c1cc(on1)-c1ccccc1
O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1(c2cc(-c3ccccc3)on2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(c1)C(F)(F)F)C1(CC1)c1cc(on1)[*:1]
Cc1ccc(C)c2sc(NC(=O)CN(C)S(=O)(=O)c3ccccc3C#N)nc12 N#Cc1ccccc1[*:1] Cc1ccc(C)c2sc(nc12)NC(=O)CN(C)S(=O)(=O)[*:1]
COC(=O)c1ccc(CN2C[C@H](C)OC[C@H]2C)cc1 COC(=O)[*:1] C[C@H]1CN(Cc2ccc(cc2)[*:1])[C@H](C)CO1
CC(C)CNC(=O)CNC(=O)NCc1ccncc1 CC(C)C[*:1] O=C(CNC(=O)NCc1ccncc1)N[*:1]
CC(C)CNC(=O)CNC(=O)NCc1ccncc1 CC(C)[*:1] O=C(CNC(=O)NCc1ccncc1)NC[*:1]
CC(C)CNC(=O)CNC(=O)NCc1ccncc1 c1cc(ccn1)[*:1] CC(C)CNC(=O)CNC(=O)NC[*:1]
O=C(Nc1ccccc1F)[C@@H]1Sc2nnc(COc3ccccc3)n2N[C@H]1c1ccc(F)cc1 c1ccc(cc1)OC[*:1] O=C(Nc1ccccc1F)[C@@H]1Sc2nnc(n2N[C@H]1c1ccc(F)cc1)[*:1]
O=C(Nc1ccccc1F)[C@@H]1Sc2nnc(COc3ccccc3)n2N[C@H]1c1ccc(F)cc1 O=C(Nc1ccccc1F)[*:1] Fc1ccc(cc1)[C@@H]1Nn2c(COc3ccccc3)nnc2S[C@H]1[*:1]
O=C(Nc1ccccc1F)[C@@H]1Sc2nnc(COc3ccccc3)n2N[C@H]1c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1F)[C@@H]1Sc2nnc(CO[*:1])n2N[C@H]1c1ccc(F)cc1
O=C(Nc1ccccc1F)[C@@H]1Sc2nnc(COc3ccccc3)n2N[C@H]1c1ccc(F)cc1 c1ccc(cc1)O[*:1] O=C(Nc1ccccc1F)[C@@H]1Sc2nnc(C[*:1])n2N[C@H]1c1ccc(F)cc1
O=C(Nc1ccccc1F)[C@@H]1Sc2nnc(COc3ccccc3)n2N[C@H]1c1ccc(F)cc1 Fc1ccccc1[*:1] O=C(N[*:1])[C@@H]1Sc2nnc(COc3ccccc3)n2N[C@H]1c1ccc(F)cc1
O=C(Nc1ccccc1F)[C@@H]1Sc2nnc(COc3ccccc3)n2N[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1F)[C@@H]1Sc2nnc(COc3ccccc3)n2N[C@@H]1[*:1]
Cc1cccc(NC(=O)NCCCc2c(C)noc2C)c1 Cc1cccc(c1)[*:1] Cc1noc(C)c1CCCNC(=O)N[*:1]
Cc1cccc(NC(=O)NCCCc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] Cc1cccc(c1)NC(=O)NCCC[*:1]
Cc1cc(C(=O)NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)no1 Cc1cc(no1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)CCNC(=O)[*:1]
CCc1nnc([N-]S(=O)(=O)c2ccc(/N=C\c3c(C)nn(-c4ccc(C)c(C)c4)c3O)cc2)s1 Cc1ccc(cc1C)[*:1] CCc1nnc([N-]S(=O)(=O)c2ccc(cc2)/N=C\c2c(C)nn(c2O)[*:1])s1
CC(=O)[C@H](C)Cc1nnnn1-c1ccccc1 CC(=O)[C@H](C)[*:1] c1ccc(cc1)-n1nnnc1C[*:1]
CC(=O)[C@H](C)Cc1nnnn1-c1ccccc1 CC(=O)[*:1] C[C@H](Cc1nnnn1-c1ccccc1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC(F)F)cc1 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cc1)OC(F)F
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(cc1)O[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]([NH2+][C@H](C)c1nccs1)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H]([NH2+][C@H](C)c1nccs1)c1ccc(cc1)[*:1]
C[C@H]([NH2+][C@H](C)c1nccs1)c1ccc(-c2cncnc2)cc1 c1csc(n1)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1ccc(cc1)-c1cncnc1
COc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2)cc2c1OCCO2 Cc1cccc(c1)[*:1] COc1cc(cc2OCCOc12)C(=O)O[C@H](C)C(=O)N[*:1]
CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] CCS(=O)(=O)c1ccc(cc1)[C@@H](C)N[C@@H](C)C(=O)N[*:1]
CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2)cc1 CCS(=O)(=O)[*:1] C[C@H](N[C@H](C)c1ccc(cc1)[*:1])C(=O)Nc1ccccc1
C[C@@H]1CN(C(=O)CSc2nc([O-])c3cnn(-c4ccccc4)c3n2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1nc([O-])c2cnn(c2n1)[*:1]
Cc1nn(CCC(=O)Nn2c([O-])c3ccccc3nc2=S)c(C)c1Br Cc1nn(c(C)c1Br)[*:1] O=C(CC[*:1])Nn1c([O-])c2ccccc2nc1=S
CC(=O)NCC1CC[NH+](Cc2ccc(SC3CCCCC3)o2)CC1 C1CCC(CC1)S[*:1] CC(=O)NCC1CC[NH+](CC1)Cc1ccc(o1)[*:1]
CC(=O)NCC1CC[NH+](Cc2ccc(SC3CCCCC3)o2)CC1 CC(=O)NC[*:1] c1cc(oc1C[NH+]1CCC(CC1)[*:1])SC1CCCCC1
CC(=O)NCC1CC[NH+](Cc2ccc(SC3CCCCC3)o2)CC1 CC(=O)N[*:1] c1cc(oc1C[NH+]1CCC(CC1)C[*:1])SC1CCCCC1
CC(=O)NCC1CC[NH+](Cc2ccc(SC3CCCCC3)o2)CC1 C1CCC(CC1)[*:1] CC(=O)NCC1CC[NH+](CC1)Cc1ccc(o1)S[*:1]
COc1ccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4cccc(C)c4)c(=O)n32)c(OC)c1 Cc1cccc(c1)[*:1] COc1ccc(NC(=O)C[C@H]2CSc3nc4c(cnn4[*:1])c(=O)n32)c(c1)OC
COc1ccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4cccc(C)c4)c(=O)n32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)N[*:1]
Cc1c(C(=O)NC#N)sc2cccc(F)c12 N#CNC(=O)[*:1] Cc1c(sc2cccc(F)c12)[*:1]
O=C(c1cc2c(s1)CCC2)N1CCC(c2nc3ccccc3s2)CC1 c1c(sc2CCCc12)[*:1] O=C(N1CCC(CC1)c1nc2ccccc2s1)[*:1]
COc1cccc(NC(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)c1 C1CCC(CC1)[*:1] COc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COc1cccc(NC(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)c1 COc1cccc(c1)[*:1] O=C(NC1CCCCC1)[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(Cc1ccc(Cl)nc1)OC1CCC1 C1CC(C1)[*:1] O=C(Cc1ccc(Cl)nc1)O[*:1]
Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H](C)c3c(C)nn(C)c3C)C2)n1 Cc1cc(C)n(n1)[*:1] Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@H](C1)[*:1]
Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H](C)c3c(C)nn(C)c3C)C2)n1 Cc1nn(C)c(C)c1[*:1] Cc1cc(C)n(n1)[C@@H]1CCCN(C1)C(=O)[C@H](C)[*:1]
CCC[NH2+][C@@H](CSC(C)C)[C@H]1CCc2cccnc21 CC(C)S[*:1] CCC[NH2+][C@@H](C[*:1])[C@H]1CCc2cccnc21
CCC[NH2+][C@@H](CSC(C)C)[C@H]1CCc2cccnc21 CC(C)SC[*:1] CCC[NH2+][C@@H]([C@H]1CCc2cccnc21)[*:1]
CCC[NH2+][C@@H](CSC(C)C)[C@H]1CCc2cccnc21 CCC[*:1] CC(C)SC[C@H]([NH2+][*:1])[C@H]1CCc2cccnc21
CCC[NH2+][C@@H](CSC(C)C)[C@H]1CCc2cccnc21 CC(C)[*:1] CCC[NH2+][C@@H](CS[*:1])[C@H]1CCc2cccnc21
CCC(CC)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 CCC(CC)[*:1] CN(C(=O)Nc1cccc(c1)[N+](=O)[O-])[*:1]
CCC(CC)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC(CC)N(C)C(=O)Nc1cccc(c1)[*:1]
C[C@H](CC(=O)NC(C)(C)C#N)Cc1cccc(F)c1 CC(C)(C#N)[*:1] C[C@H](CC(=O)N[*:1])Cc1cccc(F)c1
O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(CC1)S(=O)(=O)C[*:1]
C[C@H](NC(=O)CNc1cccc(NC(=O)c2ccco2)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CNc1cccc(c1)NC(=O)c1ccco1)[*:1]
C[C@H](NC(=O)CNc1cccc(NC(=O)c2ccco2)c1)c1ccccc1 O=C(N[*:1])c1ccco1 C[C@H](NC(=O)CNc1cccc(c1)[*:1])c1ccccc1
C[C@H](NC(=O)CNc1cccc(NC(=O)c2ccco2)c1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CNc1cccc(c1)NC(=O)c1ccco1)N[*:1]
C[C@H](NC(=O)CNc1cccc(NC(=O)c2ccco2)c1)c1ccccc1 c1coc(c1)[*:1] C[C@H](NC(=O)CNc1cccc(c1)NC(=O)[*:1])c1ccccc1
COC(=O)c1ccc(-c2cccc(O)c2)cc1Cl COC(=O)[*:1] Oc1cccc(c1)-c1ccc(c(Cl)c1)[*:1]
C[C@H](Cn1cncn1)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 c1ncn(n1)[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)c(Cl)c1
C[C@H](Cn1cncn1)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 c1ncn(C[*:1])n1 C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)c(Cl)c1)[*:1]
C[C@H](Cn1cncn1)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 Clc1ccc(cc1Cl)[*:1] C[C@H](Cn1cncn1)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC[C@H](c2ccn[nH]2)C1 c1ccc(cc1)[*:1] O=C([C@H]1C[C@H]1[*:1])N1CCC[C@@H](C1)c1ccn[nH]1
O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC[C@H](c2ccn[nH]2)C1 c1cc([nH]n1)[*:1] O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC[C@H](C1)[*:1]
Cc1nc([C@H]2CCCN(C(=O)[C@@H]3Cc4cc(F)ccc4O3)C2)no1 Cc1nc(no1)[*:1] O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@@H](C1)[*:1]
O=C(NN=Cc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(NN=C[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
O=C(NN=Cc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NN=Cc1ccccc1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
COc1ccc(C[NH+]2CCC(CNC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(NCC1CC[NH+](CC1)[*:1])c1c[nH]nc1-c1ccc(Cl)cc1
COc1ccc(C[NH+]2CCC(CNC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])c1c[nH]nc1-c1ccc(Cl)cc1
COc1ccc(C[NH+]2CCC(CNC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)C[NH+]1CCC(CC1)CNC(=O)c1c[nH]nc1[*:1]
COc1cccc(NC(=O)CSc2nnnn2-c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] COc1cccc(c1)NC(=O)CSc1nnnn1[*:1]
COc1cccc(NC(=O)CSc2nnnn2-c2cccc(C)c2)c1 COc1cccc(c1)[*:1] Cc1cccc(c1)-n1nnnc1SCC(=O)N[*:1]
COc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc(n1)-c1nn(c(=O)c2ccccc12)[*:1]
COc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1 COc1ccc(cc1)[*:1] O=c1c2ccccc2c(nn1-c1ccccc1)-c1nc(no1)[*:1]
CCCN(CC(=O)OCC)C(=O)[C@H]1CCCc2ccccc21 CCOC(=O)C[*:1] CCCN(C(=O)[C@H]1CCCc2ccccc21)[*:1]
CCCN(CC(=O)OCC)C(=O)[C@H]1CCCc2ccccc21 CCOC(=O)[*:1] CCCN(C[*:1])C(=O)[C@H]1CCCc2ccccc21
CCCN(CC(=O)OCC)C(=O)[C@H]1CCCc2ccccc21 CCC[*:1] CCOC(=O)CN(C(=O)[C@H]1CCCc2ccccc21)[*:1]
C[C@@H](Sc1nncn1C)C(=O)N[C@H]1CCCC[C@H]1C Cn1cnnc1[*:1] C[C@@H](S[*:1])C(=O)N[C@H]1CCCC[C@H]1C
Cc1ccc(C(=O)N(C)CCc2noc(-c3ccccc3Cl)n2)cc1 Cc1ccc(cc1)[*:1] CN(CCc1noc(n1)-c1ccccc1Cl)C(=O)[*:1]
Cc1ccc(C(=O)N(C)CCc2noc(-c3ccccc3Cl)n2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)C(=O)N(C)CCc1noc(n1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(OC)c3)C2)C1 COc1cccc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(OC)c3)C2)C1 CCOC(=O)[*:1] COc1cccc(c1)CN1C[C@@H](CC1=O)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(OC)c3)C2)C1 COc1cccc(c1)C[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1cccc([C@H](CO)NC(=O)Nc2cc(C#N)ccc2Cl)c1 COc1cccc(c1)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)N[C@@H](CO)[*:1]
CO[C@@H]1CCCC[C@@H]1OC(=O)c1cccc(NC(N)=O)c1 NC(=O)N[*:1] CO[C@@H]1CCCC[C@@H]1OC(=O)c1cccc(c1)[*:1]
CCc1cc2c(N(CC)CC(=O)Nc3c(C)cccc3C)ncnc2s1 Cc1cccc(C)c1[*:1] CCc1cc2c(ncnc2s1)N(CC)CC(=O)N[*:1]
CCC[C@H](C)C[NH2+]C1CCN(C)CC1 CCC[*:1] C[C@H](C[NH2+]C1CCN(C)CC1)[*:1]
C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(N2CCOC2=O)cc1 O=S1(=O)CCC(CC1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(cc1)N1CCOC1=O
C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(cc1)[*:1]
O=c1cc(-c2ccncc2)nc([C@@H]2CCN(Cc3cccc(F)c3F)C2)[nH]1 Fc1cccc(c1F)[*:1] O=c1cc(nc([nH]1)[C@@H]1CCN(C1)C[*:1])-c1ccncc1
O=c1cc(-c2ccncc2)nc([C@@H]2CCN(Cc3cccc(F)c3F)C2)[nH]1 Fc1cccc(C[*:1])c1F O=c1cc(nc([nH]1)[C@@H]1CCN(C1)[*:1])-c1ccncc1
O=c1cc(-c2ccncc2)nc([C@@H]2CCN(Cc3cccc(F)c3F)C2)[nH]1 c1cc(ccn1)[*:1] O=c1cc(nc([nH]1)[C@@H]1CCN(Cc2cccc(F)c2F)C1)[*:1]
CNC(=O)C1CCC(NC(=O)Nc2ccc(OC(F)F)cc2)CC1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)OC(F)F)NC1CCC(CC1)[*:1]
CNC(=O)C1CCC(NC(=O)Nc2ccc(OC(F)F)cc2)CC1 FC(F)O[*:1] CNC(=O)C1CCC(CC1)NC(=O)Nc1ccc(cc1)[*:1]
CNC(=O)C1CCC(NC(=O)Nc2ccc(OC(F)F)cc2)CC1 FC(F)[*:1] CNC(=O)C1CCC(CC1)NC(=O)Nc1ccc(cc1)O[*:1]
CC[C@H]([NH2+]Cc1ccccn1)c1cc(C)ccc1OC c1ccc(nc1)[*:1] CC[C@H]([NH2+]C[*:1])c1cc(C)ccc1OC
CC(C)c1cc(C(=O)O[C@@H](C)C(=O)N2CCOCC2)c2ccccc2n1 CC(C)[*:1] C[C@H](OC(=O)c1cc(nc2ccccc12)[*:1])C(=O)N1CCOCC1
CC(C)c1cc(C(=O)O[C@@H](C)C(=O)N2CCOCC2)c2ccccc2n1 O=C(N1CCOCC1)[*:1] CC(C)c1cc(C(=O)O[C@@H](C)[*:1])c2ccccc2n1
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)C[*:1])n2Cc1ccc(Cl)c(Cl)c1
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1ccc(Cl)c(Cl)c1 c1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)[*:1])n2Cc1ccc(Cl)c(Cl)c1
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)Cc1ccccc1)n2[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2Cc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)Cc1ccccc1)n2C[*:1]
O=C(Nc1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1nnc(/N=C/c2ccc(s2)[N+](=O)[O-])s1)[*:1]
O=C(Nc1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1)c1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C(Nc1nnc(/N=C/c2ccc(s2)[*:1])s1)c1ccc(Cl)cc1
O=C(Nc1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1)c1ccc(Cl)cc1 O=[N+]([O-])c1ccc(s1)[*:1] O=C(Nc1nnc(N=C[*:1])s1)c1ccc(Cl)cc1
CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccnc1SC(F)F FC(F)S[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccnc1[*:1]
CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccnc1SC(F)F FC(F)[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccnc1S[*:1]
CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccnc1SC(F)F C1CN(CCO1)[*:1] CN(Cc1ccccc1[*:1])C(=O)c1cccnc1SC(F)F
CCOc1cc([C@@H]2C(C#N)=C(N)Sc3[nH]nc(-c4ccco4)c32)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])[C@@H]1C(C#N)=C(N)Sc2[nH]nc(-c3ccco3)c21
CCOc1cc([C@@H]2C(C#N)=C(N)Sc3[nH]nc(-c4ccco4)c32)ccc1OC c1coc(c1)[*:1] CCOc1cc(ccc1OC)[C@@H]1C(C#N)=C(N)Sc2[nH]nc(c21)[*:1]
CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C(=O)C1=O O=[N+]([O-])[*:1] CN1CCN(Cc2ccc(c(F)c2)[*:1])C(=O)C1=O
COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)[O-])CCCO2)cc1 O=C([O-])[*:1] COc1ccc(F)cc1-c1ccc(cc1)C[C@@]1(CCCO1)[*:1]
Cc1ccnc2c1nc(CCCl)n2C[C@@H]1CCC(=O)N1 ClCC[*:1] Cc1ccnc2c1nc(n2C[C@@H]1CCC(=O)N1)[*:1]
CCC(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C c1ccc(cc1)C[*:1] CCC(=O)Oc1ccc2c(C)c(c(=O)oc2c1C)[*:1]
CCC(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C CCC(=O)O[*:1] Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(ccc12)[*:1]
CCC(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C c1ccc(cc1)[*:1] CCC(=O)Oc1ccc2c(C)c(C[*:1])c(=O)oc2c1C
Cc1cccc(Nc2[nH+]cnc(N3CCCc4ccccc43)c2N)n1 Cc1cccc(n1)[*:1] Nc1c(nc[nH+]c1N[*:1])N1CCCc2ccccc21
Cc1cccc(Nc2[nH+]cnc(N3CCCc4ccccc43)c2N)n1 Cc1cccc(n1)N[*:1] Nc1c(nc[nH+]c1[*:1])N1CCCc2ccccc21
O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N(CCC(F)(F)F)[*:1]
O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N(CCC(F)(F)F)C1CCC1 Fc1cccc(F)c1[*:1] O=C(N[C@@H]1C[C@@H]1[*:1])N(CCC(F)(F)F)C1CCC1
O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N(CC[*:1])C1CCC1
O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N(C[*:1])C1CCC1
O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N(C1CCC1)[*:1]
C[C@@H](CO)NC(=O)NCc1nccn1Cc1ccccc1 C[C@@H](CO)[*:1] O=C(NCc1nccn1Cc1ccccc1)N[*:1]
C[C@@H](CO)NC(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CO)NC(=O)NCc1nccn1C[*:1]
C[C@@H](CO)NC(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](CO)NC(=O)NCc1nccn1[*:1]
O=C(NC1CCCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)/C(=C/c1ccco1)NC(=O)[*:1]
O=C(NC1CCCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 C1CCC(CC1)[*:1] O=C(N[*:1])/C(=C/c1ccco1)NC(=O)c1ccccc1
O=C(NC1CCCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 c1coc(c1)[*:1] O=C(NC1CCCCC1)C(=C[*:1])NC(=O)c1ccccc1
CCc1nc(CCNC(=O)c2ncccc2OC(C)C)cs1 CCc1nc(cs1)[*:1] CC(C)Oc1cccnc1C(=O)NCC[*:1]
CCc1nc(CCNC(=O)c2ncccc2OC(C)C)cs1 CC(C)O[*:1] CCc1nc(cs1)CCNC(=O)c1ncccc1[*:1]
CCc1nc(CCNC(=O)c2ncccc2OC(C)C)cs1 CC(C)[*:1] CCc1nc(cs1)CCNC(=O)c1ncccc1O[*:1]
C[NH2+][C@@H](c1ccoc1)[C@@H]1CCc2cccnc21 c1cc(co1)[*:1] C[NH2+][C@@H]([C@@H]1CCc2cccnc21)[*:1]
C[C@]1(NC(=O)c2cc(-c3ccco3)on2)CCS(=O)(=O)C1 c1coc(c1)[*:1] C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1cc(on1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1S[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)S[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1[*:1]
C[C@H]1CCCN(C(=O)[C@H](CC2=c3ccccc3=[NH+]C2)NC(=O)c2cccs2)C1 c1csc(c1)[*:1] C[C@H]1CCCN(C1)C(=O)[C@H](CC1C[NH+]=c2ccccc2=1)NC(=O)[*:1]
C[C@H]1CCCN(C(=O)[C@H](CC2=c3ccccc3=[NH+]C2)NC(=O)c2cccs2)C1 C[C@H]1CCCN(C1)C(=O)[*:1] O=C(N[C@@H](CC1C[NH+]=c2ccccc2=1)[*:1])c1cccs1
C[C@H]1CCCN(C(=O)[C@H](CC2=c3ccccc3=[NH+]C2)NC(=O)c2cccs2)C1 O=C(N[*:1])c1cccs1 C[C@H]1CCCN(C1)C(=O)[C@H](CC1C[NH+]=c2ccccc2=1)[*:1]
CC(C)NC(=O)CN1CCN(c2ccc(O)cc2)CC1 CC(C)NC(=O)[*:1] Oc1ccc(cc1)N1CCN(CC1)C[*:1]
CC(C)NC(=O)CN1CCN(c2ccc(O)cc2)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)c1ccc(O)cc1)N[*:1]
C[C@@H](NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(=O)NC(C)(C)C C[C@@H](C(=O)NC(C)(C)C)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(cc1)CNC(=O)N[*:1]
C[C@@H](NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)C(=O)N1CC[NH+](C)CC1)C(=O)N[*:1]
C[C@@H](NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)C(=O)N1CC[NH+](C)CC1)[*:1]
CCCNC(=O)[C@@H](C)S(=O)(=O)c1nccs1 c1csc(n1)[*:1] CCCNC(=O)[C@@H](C)S(=O)(=O)[*:1]
CCCNC(=O)[C@@H](C)S(=O)(=O)c1nccs1 CCC[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)c1nccs1
CNC(=O)CN(C(=O)[C@H]1OCCc2ccccc21)c1cccc(F)c1 Fc1cccc(c1)[*:1] CNC(=O)CN(C(=O)[C@H]1OCCc2ccccc21)[*:1]
CNC(=O)CN(C(=O)[C@H]1OCCc2ccccc21)c1cccc(F)c1 CNC(=O)[*:1] O=C([C@H]1OCCc2ccccc21)N(C[*:1])c1cccc(F)c1
CNC(=O)CN(C(=O)[C@H]1OCCc2ccccc21)c1cccc(F)c1 CNC(=O)C[*:1] O=C([C@H]1OCCc2ccccc21)N(c1cccc(F)c1)[*:1]
COc1cccc(C(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)c1 COc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)CN1CCN(CC1)C(=O)[*:1]
COc1ccccc1CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C1CC1 COc1ccccc1[*:1] O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N(C[*:1])C1CC1
COc1ccccc1CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] COc1ccccc1CN(C(=O)[C@@H]1C[C@@H]1[*:1])C1CC1
COc1ccccc1CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[*:1]
Cc1ccc(C(=O)N2CCOCC2)cc1NCc1nc(C)c(C)s1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1NCc1nc(C)c(C)s1)[*:1]
Cc1ccc(C(=O)N2CCOCC2)cc1NCc1nc(C)c(C)s1 Cc1nc(C[*:1])sc1C Cc1ccc(cc1N[*:1])C(=O)N1CCOCC1
Cc1ccc(C(=O)N2CCOCC2)cc1NCc1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] Cc1ccc(cc1NC[*:1])C(=O)N1CCOCC1
CCn1c([C@@H](C)N[C@H](C)c2ccncc2)nc2ccccc21 c1cc(ccn1)[*:1] CCn1c(nc2ccccc21)[C@@H](C)N[C@H](C)[*:1]
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Oc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] C[C@@H](Oc1ccc(cc1)C(C)(C)C)C(=O)Oc1cccc(c1)[*:1]
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Oc1cccc(C(=O)[O-])c1 CC(C)(C)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)Oc1cccc(c1)C(=O)[O-]
CC[C@@H](NC(=O)c1ccc(-c2ccccc2)n1C)C(=O)OC c1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ccc(n1C)[*:1])C(=O)OC
CC[C@@H](NC(=O)c1ccc(-c2ccccc2)n1C)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)c1ccc(-c2ccccc2)n1C)[*:1]
CC[C@@H](NC(=O)c1ccc(-c2ccccc2)n1C)C(=O)OC CC[C@@H](C(=O)OC)[*:1] Cn1c(ccc1-c1ccccc1)C(=O)N[*:1]
Cc1ccc(C[NH+](C)CCC(=O)Nc2ccccc2F)s1 Fc1ccccc1[*:1] Cc1ccc(C[NH+](C)CCC(=O)N[*:1])s1
Cc1ccc(C[NH+](C)CCC(=O)Nc2ccccc2F)s1 Cc1ccc(C[*:1])s1 C[NH+](CCC(=O)Nc1ccccc1F)[*:1]
Cc1ccc(C[NH+](C)CCC(=O)Nc2ccccc2F)s1 Cc1ccc(s1)[*:1] C[NH+](CCC(=O)Nc1ccccc1F)C[*:1]
CC(=O)N1CC[C@H](C)Sc2ccc(C(F)(F)F)cc21 FC(F)(F)[*:1] CC(=O)N1CC[C@H](C)Sc2ccc(cc21)[*:1]
Cc1ccccc1C1(C(=O)NC[C@@](C)(O)CN2CCOCC2)CCCCC1 C1CN(CCO1)C[*:1] Cc1ccccc1C1(CCCCC1)C(=O)NC[C@@](C)(O)[*:1]
Cc1ccccc1C1(C(=O)NC[C@@](C)(O)CN2CCOCC2)CCCCC1 Cc1ccccc1[*:1] C[C@@](O)(CNC(=O)C1(CCCCC1)[*:1])CN1CCOCC1
Cc1ccccc1C1(C(=O)NC[C@@](C)(O)CN2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] Cc1ccccc1C1(CCCCC1)C(=O)NC[C@@](C)(O)C[*:1]
COc1ccccc1[C@H]1C[C@@H]1C(=O)NNC(=O)CNc1ccc(C)cc1C COc1ccccc1[*:1] Cc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@@H]2[*:1])c(C)c1
COc1ccccc1[C@H]1C[C@@H]1C(=O)NNC(=O)CNc1ccc(C)cc1C Cc1ccc(N[*:1])c(C)c1 COc1ccccc1[C@H]1C[C@@H]1C(=O)NNC(=O)C[*:1]
COc1ccccc1[C@H]1C[C@@H]1C(=O)NNC(=O)CNc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] COc1ccccc1[C@H]1C[C@@H]1C(=O)NNC(=O)CN[*:1]
COC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1C)C(N)=O c1ccc(cc1)[*:1] COC[C@H](NC(=O)c1cnn(C[*:1])c1C)C(N)=O
COC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1C)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1C)[*:1]
COC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1C)C(N)=O COC[*:1] Cc1c(cnn1Cc1ccccc1)C(=O)N[C@H](C(N)=O)[*:1]
COC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1C)C(N)=O c1ccc(cc1)C[*:1] COC[C@H](NC(=O)c1cnn(c1C)[*:1])C(N)=O
CNC(=O)[C@@H](C)CN(C)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 Cc1ccc(C)c(c1)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)C1CCC(=O)N(N=1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 CNC(=O)[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)N(C)C[C@H](C)[*:1]
COc1ccc(CNC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)CNC(=O)[C@H]1CC(C)=C(C)C[C@H]1[*:1]
O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2ccc(Cl)s2)n[nH]1 Brc1ccc(cc1)[*:1] O=C(NN=C[*:1])c1cc(n[nH]1)-c1ccc(Cl)s1
O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2ccc(Cl)s2)n[nH]1 Clc1ccc(s1)[*:1] O=C(N/N=C/c1ccc(Br)cc1)c1cc(n[nH]1)[*:1]
COc1cccc2cc([C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)oc12 CC(C)(C)[*:1] COc1cccc2cc(oc12)[C@H](C)NC(=O)[C@H](C)NC(=O)O[*:1]
COc1cccc2cc([C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)oc12 CC(C)(C)OC(=O)N[*:1] COc1cccc2cc(oc12)[C@H](C)NC(=O)[C@H](C)[*:1]
CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)N3CCCCC3)cc2)n1 O=C(N1CCCCC1)[*:1] CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(n1)-c1ccc(cc1)[*:1]
CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)N3CCCCC3)cc2)n1 CCOC(=O)[*:1] Cc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)C(=O)N1CCCCC1)[*:1]
CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)N3CCCCC3)cc2)n1 Cc1ccc(cc1C)[*:1] CCOC(=O)c1cc(n(n1)-c1ccc(cc1)C(=O)N1CCCCC1)[*:1]
COC(=O)CCC[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 COC(=O)[*:1] O=C(Oc1ccccc1)N1CCC[NH+](CCC[*:1])CC1
COC(=O)CCC[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 COC(=O)CCC[*:1] O=C(Oc1ccccc1)N1CCC[NH+](CC1)[*:1]
COC(=O)CCC[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)CCC[NH+]1CCCN(CC1)C(=O)O[*:1]
COC(=O)CCC[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 COC(=O)C[*:1] O=C(Oc1ccccc1)N1CCC[NH+](CC1)CC[*:1]
COC(=O)CCC[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 COC(=O)CC[*:1] O=C(Oc1ccccc1)N1CCC[NH+](CC1)C[*:1]
Cc1ccc(Cl)cc1NCCNc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NCCN[*:1]
COc1ccc2cc(C3=NN(C(C)=O)[C@@H](c4c(OC(C)=O)ccc5ccccc45)O3)ccc2c1 CC(=O)O[*:1] COc1ccc2cc(ccc2c1)C1=NN(C(C)=O)[C@H](O1)c1c(ccc2ccccc12)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(F)c2Cl)CC1 CC(C)[*:1] N#C[C@@H](N1CCN(CC1)C(=O)c1cccc(F)c1Cl)[*:1]
C[C@@H](C(=O)Nc1ccn(-c2ncccc2Cl)n1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](C(=O)Nc1ccn(n1)-c1ncccc1Cl)[*:1]
C[C@@H](C(=O)Nc1ccn(-c2ncccc2Cl)n1)c1cccc(F)c1 Clc1cccnc1[*:1] C[C@@H](C(=O)Nc1ccn(n1)[*:1])c1cccc(F)c1
CS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3cscn3)cc2)CC1 c1nc(cs1)[*:1] CS(=O)(=O)NC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3cscn3)cc2)CC1 CS(=O)(=O)N[*:1] O=C(c1ccc(cc1)-c1cscn1)N1CCC(CC1)[*:1]
CCc1ccc2nc(N(Cc3ccco3)C(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 c1coc(c1)C[*:1] CCc1ccc2nc(sc2c1)N(C(=O)CN1C(=O)c2ccccc2C1=O)[*:1]
CCc1ccc2nc(N(Cc3ccco3)C(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 c1coc(c1)[*:1] CCc1ccc2nc(sc2c1)N(C[*:1])C(=O)CN1C(=O)c2ccccc2C1=O
COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N1CCC[C@@H]1c1cccc(C[*:1])n1
COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)CC(=O)N1CCC[C@@H]1c1cccc(n1)[*:1]
COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1
COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)cc1 COc1ccc(cc1)C[*:1] O=C(N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)COC3)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc2COCc2c1
Clc1cccnc1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 Clc1cccnc1[*:1] c1ccc(nc1)N1CC[NH+](CC1)C[C@@H]1CCCN(C1)[*:1]
Clc1cccnc1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 c1ccc(nc1)[*:1] Clc1cccnc1N1CCC[C@H](C1)C[NH+]1CCN(CC1)[*:1]
CC(C)c1nc2cc(NC(=O)C(=O)NCC(=O)N3CCCC3)ccc2o1 O=C(C[*:1])N1CCCC1 CC(C)c1nc2cc(ccc2o1)NC(=O)C(=O)N[*:1]
CC(C)c1nc2cc(NC(=O)C(=O)NCC(=O)N3CCCC3)ccc2o1 O=C(N1CCCC1)[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)C(=O)NC[*:1]
CC(C)c1nc2cc(NC(=O)C(=O)NCC(=O)N3CCCC3)ccc2o1 CC(C)[*:1] O=C(NCC(=O)N1CCCC1)C(=O)Nc1ccc2oc(nc2c1)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1 CC(C)C(=O)N[*:1] C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1 CC(C)[*:1] C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
O=C(Nc1cccc(Br)c1)c1nn(-c2ccc(F)cc2)c2c1CCC2 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(Br)c1)c1nn(c2CCCc12)[*:1]
O=C(Nc1cccc(Br)c1)c1nn(-c2ccc(F)cc2)c2c1CCC2 Brc1cccc(c1)[*:1] O=C(N[*:1])c1nn(-c2ccc(F)cc2)c2CCCc12
Cc1nnc(-c2cccc(C(=O)Nc3ccc4ccccc4n3)c2)o1 Cc1nnc(o1)[*:1] O=C(Nc1ccc2ccccc2n1)c1cccc(c1)[*:1]
CN(CCN1CCOCC1)S(=O)(=O)c1c(Cl)cccc1Cl C1CN(CCO1)[*:1] CN(CC[*:1])S(=O)(=O)c1c(Cl)cccc1Cl
CN(CCN1CCOCC1)S(=O)(=O)c1c(Cl)cccc1Cl C1CN(CCO1)C[*:1] CN(C[*:1])S(=O)(=O)c1c(Cl)cccc1Cl
CNC(=O)[C@H]1CN(CC(=O)Nc2cc(C)ccc2C)c2ccccc2O1 Cc1ccc(C)c(c1)[*:1] CNC(=O)[C@H]1CN(CC(=O)N[*:1])c2ccccc2O1
CNC(=O)[C@H]1CN(CC(=O)Nc2cc(C)ccc2C)c2ccccc2O1 CNC(=O)[*:1] Cc1ccc(C)c(c1)NC(=O)CN1C[C@@H](Oc2ccccc21)[*:1]
CC(C)[NH+]1CCC(CNC(=O)c2ccco2)CC1 c1coc(c1)[*:1] CC(C)[NH+]1CCC(CC1)CNC(=O)[*:1]
CC(C)[NH+]1CCC(CNC(=O)c2ccco2)CC1 CC(C)[*:1] O=C(NCC1CC[NH+](CC1)[*:1])c1ccco1
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)COc1ccccc1Cl O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=S)NC(=O)COc1ccccc1Cl)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)COc1ccccc1Cl Clc1ccccc1O[*:1] Cc1ccc(cc1NC(=S)NC(=O)C[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)COc1ccccc1Cl Clc1ccccc1[*:1] Cc1ccc(cc1NC(=S)NC(=O)CO[*:1])[N+](=O)[O-]
O=C([O-])CC1(NS(=O)(=O)C[C@H]2CCCO2)CCC1 C1CO[C@H](C1)[*:1] O=C([O-])CC1(CCC1)NS(=O)(=O)C[*:1]
O=C([O-])CC1(NS(=O)(=O)C[C@H]2CCCO2)CCC1 C1CO[C@H](C1)C[*:1] O=C([O-])CC1(CCC1)NS(=O)(=O)[*:1]
O=C([O-])CC1(NS(=O)(=O)C[C@H]2CCCO2)CCC1 O=C([O-])[*:1] O=S(=O)(C[C@H]1CCCO1)NC1(CCC1)C[*:1]
O=C([O-])CC1(NS(=O)(=O)C[C@H]2CCCO2)CCC1 O=C([O-])C[*:1] O=S(=O)(C[C@H]1CCCO1)NC1(CCC1)[*:1]
Cc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1Cl c1ccc(cc1)OC[*:1] Cc1ccc(cc1Cl)NC(=O)Cc1csc(n1)[*:1]
Cc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1Cl c1ccc(cc1)O[*:1] Cc1ccc(cc1Cl)NC(=O)Cc1csc(C[*:1])n1
Cc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(Cc1csc(COc2ccccc2)n1)N[*:1]
Cc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)Cc1csc(CO[*:1])n1
CC(C)c1cccc(C(C)C)c1NC(=O)COc1cccc[n+]1[O-] CC(C)[*:1] CC(C)c1cccc(c1NC(=O)COc1cccc[n+]1[O-])[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)COc1cccc[n+]1[O-] [O-][n+]1ccccc1O[*:1] CC(C)c1cccc(c1NC(=O)C[*:1])C(C)C
CC(C)c1cccc(C(C)C)c1NC(=O)COc1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] CC(C)c1cccc(c1NC(=O)CO[*:1])C(C)C
Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@H](C)CCO OCC[*:1] Cc1ccc(cc1NC(=O)NC[C@H](C)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@H](C)CCO C[C@H](CCO)C[*:1] Cc1ccc(cc1NC(=O)N[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@H](C)CCO C[C@H](CCO)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@H](C)CCO c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)NC[C@H](C)CCO)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)/N=C(\N)Nc2nc3ccccc3o2)cc1 c1ccc2oc(nc2c1)[*:1] CCOC(=O)c1ccc(cc1)S(=O)(=O)/N=C(\N)N[*:1]
CCOC(=O)c1ccc(S(=O)(=O)/N=C(\N)Nc2nc3ccccc3o2)cc1 CCOC(=O)[*:1] N/C(=N\S(=O)(=O)c1ccc(cc1)[*:1])Nc1nc2ccccc2o1
Cc1cc(C)cc(NC(=O)c2ccccc2SCc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] Cc1cc(C)cc(c1)NC(=O)c1ccccc1SC[*:1]
Cc1cc(C)cc(NC(=O)c2ccccc2SCc2c(C)noc2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1noc(C)c1CSc1ccccc1C(=O)N[*:1]
Cc1cc(C)cc(NC(=O)c2ccccc2SCc2c(C)noc2C)c1 Cc1noc(C)c1C[*:1] Cc1cc(C)cc(c1)NC(=O)c1ccccc1S[*:1]
O=C(CCc1ccsc1)Nc1ccc(-c2nccs2)cc1 c1csc(n1)[*:1] O=C(CCc1ccsc1)Nc1ccc(cc1)[*:1]
O=C(CCc1ccsc1)Nc1ccc(-c2nccs2)cc1 c1cc(cs1)[*:1] O=C(CC[*:1])Nc1ccc(cc1)-c1nccs1
O=C(CCc1ccsc1)Nc1ccc(-c2nccs2)cc1 c1cc(cs1)C[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1nccs1
O=C(CCc1ccsc1)Nc1ccc(-c2nccs2)cc1 c1cc(cs1)CC[*:1] O=C(Nc1ccc(cc1)-c1nccs1)[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O Fc1cccc(c1)C[*:1] C[C@H](C[*:1])C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O
C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCN(C[*:1])C1=O
C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCN(C1=O)[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O Fc1cccc(c1)[*:1] C[C@H](CC[*:1])C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O
CSCc1ccc(C(=O)NC[C@@H](C)Cn2cccn2)cc1 c1cnn(c1)C[*:1] CSCc1ccc(cc1)C(=O)NC[C@@H](C)[*:1]
CSCc1ccc(C(=O)NC[C@@H](C)Cn2cccn2)cc1 CSC[*:1] C[C@H](CNC(=O)c1ccc(cc1)[*:1])Cn1cccn1
CSCc1ccc(C(=O)NC[C@@H](C)Cn2cccn2)cc1 c1cnn(c1)[*:1] CSCc1ccc(cc1)C(=O)NC[C@@H](C)C[*:1]
Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccc3c(c2)OCO3)o1 Cc1ccc(C[*:1])o1 O=C(c1ccc2OCOc2c1)N(Cc1ccc(F)cc1)[*:1]
Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccc3c(c2)OCO3)o1 c1cc2OCOc2cc1[*:1] Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)[*:1])o1
Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccc3c(c2)OCO3)o1 Fc1ccc(cc1)[*:1] Cc1ccc(CN(C[*:1])C(=O)c2ccc3OCOc3c2)o1
Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccc3c(c2)OCO3)o1 Cc1ccc(o1)[*:1] O=C(c1ccc2OCOc2c1)N(Cc1ccc(F)cc1)C[*:1]
Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccc3c(c2)OCO3)o1 Fc1ccc(cc1)C[*:1] Cc1ccc(CN(C(=O)c2ccc3OCOc3c2)[*:1])o1
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CC(=O)[O-] C1CN(CCO1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2CC(=O)[O-])[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CC(=O)[O-] O=C([O-])[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2C[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CC(=O)[O-] O=C([O-])C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2[*:1]
Cc1nc(CN2CCN(C(=O)c3cccnc3OCC(F)F)CC2)no1 FC(F)[*:1] Cc1nc(CN2CCN(CC2)C(=O)c2cccnc2OC[*:1])no1
Cc1nc(CN2CCN(C(=O)c3cccnc3OCC(F)F)CC2)no1 FC(F)C[*:1] Cc1nc(CN2CCN(CC2)C(=O)c2cccnc2O[*:1])no1
Cc1nc(CN2CCN(C(=O)c3cccnc3OCC(F)F)CC2)no1 Cc1nc(no1)[*:1] O=C(c1cccnc1OCC(F)F)N1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(C(=O)c3cccnc3OCC(F)F)CC2)no1 Cc1nc(C[*:1])no1 O=C(c1cccnc1OCC(F)F)N1CCN(CC1)[*:1]
Cc1nc(CN2CCN(C(=O)c3cccnc3OCC(F)F)CC2)no1 FC(F)CO[*:1] Cc1nc(CN2CCN(CC2)C(=O)c2cccnc2[*:1])no1
CCCN1C(=O)c2c(C(=O)Nc3ccc(C)cc3Cl)ncn2C[C@@]1(C)C(=O)NC1CCCC1 Cc1ccc(c(Cl)c1)[*:1] CCCN1C(=O)c2c(ncn2C[C@@]1(C)C(=O)NC1CCCC1)C(=O)N[*:1]
CCCN1C(=O)c2c(C(=O)Nc3ccc(C)cc3Cl)ncn2C[C@@]1(C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CCCN1C(=O)c2c(ncn2C[C@@]1(C)C(=O)N[*:1])C(=O)Nc1ccc(C)cc1Cl
CCCN1C(=O)c2c(C(=O)Nc3ccc(C)cc3Cl)ncn2C[C@@]1(C)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] CCCN1C(=O)c2c(ncn2C[C@]1(C)[*:1])C(=O)Nc1ccc(C)cc1Cl
CCCN1C(=O)c2c(C(=O)Nc3ccc(C)cc3Cl)ncn2C[C@@]1(C)C(=O)NC1CCCC1 Cc1ccc(NC(=O)[*:1])c(Cl)c1 CCCN1C(=O)c2c(ncn2C[C@@]1(C)C(=O)NC1CCCC1)[*:1]
CCCN1C(=O)c2c(C(=O)Nc3ccc(C)cc3Cl)ncn2C[C@@]1(C)C(=O)NC1CCCC1 CCC[*:1] Cc1ccc(NC(=O)c2ncn3C[C@@](C)(C(=O)NC4CCCC4)N(C(=O)c23)[*:1])c(Cl)c1
N#C[C@@H](NC(=O)c1ccoc1)C1CCCCC1 c1cc(co1)[*:1] N#C[C@@H](NC(=O)[*:1])C1CCCCC1
CCN(c1ccccc1[C@H](C)[NH3+])C(C)C CC(C)[*:1] CCN(c1ccccc1[C@H](C)[NH3+])[*:1]
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(F)c(F)c1)CC2)c1ccco1 O=C(N[*:1])c1ccco1 Fc1ccc(cc1F)C[NH+]1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(F)c(F)c1)CC2)c1ccco1 Fc1ccc(cc1F)[*:1] O=C(Nc1nc2CC[NH+](Cc2s1)C[*:1])c1ccco1
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(F)c(F)c1)CC2)c1ccco1 c1coc(c1)[*:1] O=C(Nc1nc2CC[NH+](Cc3ccc(F)c(F)c3)Cc2s1)[*:1]
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](c1ccccc1)[*:1]
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](c1ccccn1)[*:1]
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 CC(C)(C)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])C(=O)N[C@@H](c1ccccc1)c1ccccn1
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 CC(C)(C)c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N[C@@H](c1ccccc1)c1ccccn1
CCc1ccc(S(=O)(=O)Cc2noc(C(=O)[O-])n2)cc1 O=C([O-])[*:1] CCc1ccc(cc1)S(=O)(=O)Cc1noc(n1)[*:1]
CC(C)C[C@](C)(O)CNC(=O)N[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CC(C)C[C@](C)(O)CNC(=O)N[*:1]
CC(C)C[C@](C)(O)CNC(=O)N[C@@H]1CCOC1 CC(C)C[*:1] C[C@](O)(CNC(=O)N[C@@H]1CCOC1)[*:1]
CC(C)C[C@](C)(O)CNC(=O)N[C@@H]1CCOC1 CC(C)[*:1] C[C@@](O)(CNC(=O)N[C@@H]1CCOC1)C[*:1]
CO[C@H]1CCCC[C@@H]1Nc1nc(N(C)C)cc(C(F)(F)F)n1 FC(F)(F)[*:1] CO[C@H]1CCCC[C@@H]1Nc1nc(cc(n1)[*:1])N(C)C
CO[C@H]1CCCC[C@@H]1Nc1nc(N(C)C)cc(C(F)(F)F)n1 CN(C)[*:1] CO[C@H]1CCCC[C@@H]1Nc1nc(cc(n1)[*:1])C(F)(F)F
COc1cc(-c2n[nH]c(C)c2NC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC Clc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-c1n[nH]c(C)c1NC(=O)N[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)C[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2Cl)c1 CC(=O)N[*:1] O=C(Cc1ccccc1Cl)Nc1cc(ccc1F)[*:1]
CCNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-] CCN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cccc(Br)c1
CCNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1ncnc(Nc2cccc(Br)c2)c1[*:1]
CCC(CC)[C@@H](NC(=O)NC)c1cccs1 CCC(CC)[*:1] CNC(=O)N[C@@H](c1cccs1)[*:1]
CCC(CC)[C@@H](NC(=O)NC)c1cccs1 c1csc(c1)[*:1] CCC(CC)[C@@H](NC(=O)NC)[*:1]
CCC(CC)[C@@H](NC(=O)NC)c1cccs1 CNC(=O)N[*:1] CCC(CC)[C@@H](c1cccs1)[*:1]
NC(=O)c1ccc(NC(=O)CC2CCC2)cc1Cl C1CC(C1)[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)C[*:1]
NC(=O)c1ccc(NC(=O)CC2CCC2)cc1Cl C1CC(C1)C[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)[*:1]
NC(=O)c1ccc(NC(=O)CC2CCC2)cc1Cl NC(=O)[*:1] O=C(CC1CCC1)Nc1ccc(c(Cl)c1)[*:1]
CCOc1ccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])C(=O)NCc1c(C)nn(-c2ccccc2)c1C
CCOc1ccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] CCOc1ccc(cc1[N+](=O)[O-])C(=O)NCc1c(C)nn(c1C)[*:1]
CCOc1ccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] CCO[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[C@@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccccc1C(C)(C)C Oc1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)C(=O)Nc1ccccc1C(C)(C)C
C[C@@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccccc1C(C)(C)C Oc1ccc(cc1)CC[*:1] C[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)[*:1]
C[C@@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccccc1C(C)(C)C CC(C)(C)[*:1] C[C@@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccccc1[*:1]
C[C@@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccccc1C(C)(C)C Oc1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccccc1C(C)(C)C
CC(C)C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)[*:1]
CC(C)C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H](C[*:1])[NH2+][C@H]1CCOC2(CCOCC2)C1
CC(C)C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)C(=O)[O-] CC(C)C[*:1] O=C([O-])[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)[*:1]
COC(=O)c1cccc(/C=C/[NH+](C)C)c1[N+](=O)[O-] COC(=O)[*:1] C[NH+](C)/C=C/c1cccc(c1[N+](=O)[O-])[*:1]
COC(=O)c1cccc(/C=C/[NH+](C)C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)c1cccc(/C=C/[NH+](C)C)c1[*:1]
CCCCN(C(=O)[C@@H]1CCC(=O)O1)[C@@H](CC)c1ccccc1 CCCC[*:1] CC[C@@H](c1ccccc1)N(C(=O)[C@@H]1CCC(=O)O1)[*:1]
CCCCN(C(=O)[C@@H]1CCC(=O)O1)[C@@H](CC)c1ccccc1 CCC[*:1] CC[C@@H](c1ccccc1)N(C[*:1])C(=O)[C@@H]1CCC(=O)O1
CCCCN(C(=O)[C@@H]1CCC(=O)O1)[C@@H](CC)c1ccccc1 c1ccc(cc1)[*:1] CCCCN(C(=O)[C@@H]1CCC(=O)O1)[C@@H](CC)[*:1]
CCOc1cc(C(=O)Nc2cc(C(C)C)c(O)cc2C)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cc(c(O)cc1C)C(C)C
CCOc1cc(C(=O)Nc2cc(C(C)C)c(O)cc2C)ccc1OC CC(C)[*:1] CCOc1cc(ccc1OC)C(=O)Nc1cc(c(O)cc1C)[*:1]
CCCCN(Cc1ncoc1C(C)C)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCN(Cc1ncoc1C(C)C)[*:1]
CCCCN(Cc1ncoc1C(C)C)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] CCCCN(Cc1ncoc1[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(Cc1ncoc1C(C)C)[C@H]1CCS(=O)(=O)C1 CCC[*:1] CC(C)c1ocnc1CN(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(Cc1ncoc1C(C)C)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] CC(C)c1ocnc1CN([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(NNC(=O)C1(c2ccccc2)CC1)C(=O)NC1CC1 c1ccc(cc1)[*:1] O=C(NNC(=O)C1(CC1)[*:1])C(=O)NC1CC1
O=C(NNC(=O)C1(c2ccccc2)CC1)C(=O)NC1CC1 C1CC1[*:1] O=C(NNC(=O)C1(CC1)c1ccccc1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2cn(-c3ccc4c(c3)OCCO4)nn2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])c1cn(nn1)-c1ccc2OCCOc2c1
Cc1nc(Br)ccc1NC(=O)N1CCC[C@@H]1c1ccco1 c1coc(c1)[*:1] Cc1nc(Br)ccc1NC(=O)N1CCC[C@H]1[*:1]
CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(OC)cc3)cc12 CCOC(=O)[*:1] COc1ccc(cc1)C(=O)Oc1ccc2oc(C)c(c2c1)[*:1]
CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(OC)cc3)cc12 COc1ccc(cc1)[*:1] CCOC(=O)c1c(C)oc2ccc(cc12)OC(=O)[*:1]
Cn1cc(C[C@@H]2CCN(c3nccc(OCc4ccccc4)n3)C2)cn1 Cn1cc(cn1)[*:1] c1ccc(cc1)COc1ccnc(n1)N1CC[C@H](C1)C[*:1]
Cn1cc(C[C@@H]2CCN(c3nccc(OCc4ccccc4)n3)C2)cn1 c1ccc(cc1)CO[*:1] Cn1cc(cn1)C[C@@H]1CCN(C1)c1nccc(n1)[*:1]
Cn1cc(C[C@@H]2CCN(c3nccc(OCc4ccccc4)n3)C2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)C[C@@H]1CCN(C1)c1nccc(n1)OC[*:1]
Cn1cc(C[C@@H]2CCN(c3nccc(OCc4ccccc4)n3)C2)cn1 Cn1cc(cn1)C[*:1] c1ccc(cc1)COc1ccnc(n1)N1CC[C@H](C1)[*:1]
Cn1cc(C[C@@H]2CCN(c3nccc(OCc4ccccc4)n3)C2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)C[C@@H]1CCN(C1)c1nccc(n1)O[*:1]
C[C@@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)CC(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)CC(=O)N[*:1]
COc1ccc([C@@H]2[C@@H](C(=O)OC(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC COc1ccc(cc1OC)[*:1] CC(C)(C)OC(=O)[C@@H]1[C@H](C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12)[*:1]
COc1ccc([C@@H]2[C@@H](C(=O)OC(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)[C@@H]1[C@@H](C(=O)O[*:1])N2c3ccccc3C=C[C@@H]2C1(C#N)C#N
COc1ccc([C@@H]2[C@@H](C(=O)OC(C)(C)C)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC CC(C)(C)OC(=O)[*:1] COc1ccc(cc1OC)[C@@H]1[C@@H](N2c3ccccc3C=C[C@@H]2C1(C#N)C#N)[*:1]
C=CCNC(=O)CN1CCN(Cc2cccc(Cl)c2Cl)CC1 C=CC[*:1] O=C(CN1CCN(CC1)Cc1cccc(Cl)c1Cl)N[*:1]
C=CCNC(=O)CN1CCN(Cc2cccc(Cl)c2Cl)CC1 C=CCNC(=O)[*:1] Clc1cccc(CN2CCN(CC2)C[*:1])c1Cl
C=CCNC(=O)CN1CCN(Cc2cccc(Cl)c2Cl)CC1 C=CCNC(=O)C[*:1] Clc1cccc(CN2CCN(CC2)[*:1])c1Cl
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 CCO[*:1] Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)Nc3ccc(cc3)[*:1])c(nc12)N1C[C@@H](C)O[C@H](C)C1
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 CCOc1ccc(cc1)NC(=O)[*:1] Cc1cccn2c(=O)c(C=C(C#N)[*:1])c(nc12)N1C[C@@H](C)O[C@H](C)C1
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[*:1])c(nc12)N1C[C@@H](C)O[C@H](C)C1
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(NC[C@H](O)C[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2F)CCO1 Fc1ccccc1[*:1] C[C@@H]1CN(CCO1)C(=O)c1c[nH]nc1[*:1]
C[C@@H](CC(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](CC(=O)NNC(=O)c1ccc(cc1)S(C)(=O)=O)c1ccc(cc1)[*:1]
C[C@@H](CC(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(C(F)(F)F)cc1 CS(=O)(=O)[*:1] C[C@@H](CC(=O)NNC(=O)c1ccc(cc1)[*:1])c1ccc(cc1)C(F)(F)F
CC1CCN(S(=O)(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)S(=O)(=O)NCCC[NH+]1CCN(CC1)[*:1]
Cc1nc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2C)sc1C Fc1cccc(c1)[*:1] Cc1nc(NC(=O)CSc2nnc(n2C)[*:1])sc1C
Cc1nc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2C)sc1C Cc1nc(sc1C)[*:1] Cn1c(nnc1-c1cccc(F)c1)SCC(=O)N[*:1]
O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ccc2c(c1)OCO2 c1ccc(cc1)CC[*:1] O=C(NCc1[nH+]ccn1[*:1])c1ccc2OCOc2c1
O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] O=C(NCc1[nH+]ccn1C[*:1])c1ccc2OCOc2c1
O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(NCc1[nH+]ccn1CC[*:1])c1ccc2OCOc2c1
CC(C)CCC[NH2+][C@H]1CCOC2(CCCCC2)C1 CC(C)[*:1] C1CCC2(CC1)C[C@H](CCO2)[NH2+]CCC[*:1]
CC(C)CCC[NH2+][C@H]1CCOC2(CCCCC2)C1 CC(C)C[*:1] C1CCC2(CC1)C[C@H](CCO2)[NH2+]CC[*:1]
CC(C)CCC[NH2+][C@H]1CCOC2(CCCCC2)C1 CC(C)CCC[*:1] C1CCC2(CC1)C[C@H](CCO2)[NH2+][*:1]
CC(C)CCC[NH2+][C@H]1CCOC2(CCCCC2)C1 CC(C)CC[*:1] C1CCC2(CC1)C[C@H](CCO2)[NH2+]C[*:1]
CC[C@H]1C[S@](=O)C[C@H](C(C)C)[NH2+]1 CC(C)[*:1] CC[C@H]1C[S@](=O)C[C@H]([NH2+]1)[*:1]
CNC(=O)COc1ccc(C(=O)N2CC[C@@H](C)[C@H]3CCCC[C@@H]32)cc1OC CNC(=O)C[*:1] COc1cc(ccc1O[*:1])C(=O)N1CC[C@@H](C)[C@H]2CCCC[C@@H]21
CNC(=O)COc1ccc(C(=O)N2CC[C@@H](C)[C@H]3CCCC[C@@H]32)cc1OC CNC(=O)CO[*:1] COc1cc(ccc1[*:1])C(=O)N1CC[C@@H](C)[C@H]2CCCC[C@@H]21
CNC(=O)COc1ccc(C(=O)N2CC[C@@H](C)[C@H]3CCCC[C@@H]32)cc1OC CNC(=O)[*:1] COc1cc(ccc1OC[*:1])C(=O)N1CC[C@@H](C)[C@H]2CCCC[C@@H]21
Cn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccco1 Fc1ccccc1[*:1] Cn1c(nnc1-c1ccco1)SCCC(=O)N[*:1]
Cn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccco1 c1coc(c1)[*:1] Cn1c(nnc1[*:1])SCCC(=O)Nc1ccccc1F
COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)ccc1O COc1cc(ccc1O)[*:1] Cc1nn(-c2nc3ccccc3s2)c2NC(=O)C[C@H](c12)[*:1]
COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)ccc1O c1ccc2sc(nc2c1)[*:1] COc1cc(ccc1O)[C@@H]1CC(=O)Nc2c1c(C)nn2[*:1]
FC(F)(F)c1ccc(C2=NN=CC2)cc1 FC(F)(F)[*:1] C1CC(=NN=1)c1ccc(cc1)[*:1]
O=C(c1cnc(C2CC2)s1)N1CCC[C@H](n2cc[nH+]c2)C1 C1CC1[*:1] O=C(c1cnc(s1)[*:1])N1CCC[C@@H](C1)n1cc[nH+]c1
COC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 COC[C@@H](C)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)-c1ccccc1
COC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 COC[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])c1ccc(cc1)-c1ccccc1
COC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] COC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CSc1ccc(Cl)c(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1 NC(=O)C[*:1] CSc1ccc(Cl)c(c1)C(=O)NC1CC[NH+](CC1)[*:1]
CSc1ccc(Cl)c(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1 NC(=O)[*:1] CSc1ccc(Cl)c(c1)C(=O)NC1CC[NH+](CC1)C[*:1]
N#CC1(CSc2nnc(-c3ccncc3)o2)CC1 N#CC1(CC1)[*:1] c1cc(ccn1)-c1nnc(o1)SC[*:1]
N#CC1(CSc2nnc(-c3ccncc3)o2)CC1 N#CC1(CC1)C[*:1] c1cc(ccn1)-c1nnc(o1)S[*:1]
N#CC1(CSc2nnc(-c3ccncc3)o2)CC1 c1cc(ccn1)[*:1] N#CC1(CC1)CSc1nnc(o1)[*:1]
CC(C)N(C)c1ccc(NCc2ccc(-n3cncn3)cc2)cc1F CC(C)N(C)[*:1] Fc1cc(ccc1[*:1])NCc1ccc(cc1)-n1cncn1
CC(C)N(C)c1ccc(NCc2ccc(-n3cncn3)cc2)cc1F c1ncn(n1)[*:1] CC(C)N(C)c1ccc(cc1F)NCc1ccc(cc1)[*:1]
CC(C)N(C)c1ccc(NCc2ccc(-n3cncn3)cc2)cc1F CC(C)[*:1] CN(c1ccc(cc1F)NCc1ccc(cc1)-n1cncn1)[*:1]
Cn1c(Cc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)nc2ccccc21 O=S(=O)(N1CCCCC1)[*:1] Cn1c(Cc2nc(cs2)-c2ccc(cc2)[*:1])nc2ccccc21
Cn1c(Cc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)nc2ccccc21 Cn1c(nc2ccccc21)[*:1] O=S(=O)(c1ccc(cc1)-c1csc(C[*:1])n1)N1CCCCC1
CC[NH2+][C@@H]([C@H]1CCC[C@H](CC)C1)C(C)(C)OC COC(C)(C)[*:1] CC[NH2+][C@@H]([C@H]1CCC[C@H](CC)C1)[*:1]
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] C[C@H](CC#N)N(C)C(=O)Nc1ccc(Cl)c(c1)C[*:1]
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 N#CC[*:1] C[C@H](N(C)C(=O)Nc1ccc(Cl)c(c1)CS(C)(=O)=O)[*:1]
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] C[C@H](CC#N)N(C)C(=O)Nc1ccc(Cl)c(c1)[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)N(C)CC(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1NC(=O)N(C)C[*:1])-c1nnco1
Cc1ccc(-c2nnco2)cc1NC(=O)N(C)CC(=O)Nc1ccccc1 c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)N(C)CC(=O)Nc1ccccc1)[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)N(C)CC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N(C)CC(=O)N[*:1])-c1nnco1
CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CCc1ccsc1 CC(C)(C)NC(=O)[*:1] O=C(CCc1ccsc1)N1CSC[C@H]1[*:1]
CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CCc1ccsc1 CC(C)(C)[*:1] O=C(N[*:1])[C@@H]1CSCN1C(=O)CCc1ccsc1
CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CCc1ccsc1 c1cc(cs1)[*:1] CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CC[*:1]
CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CCc1ccsc1 c1cc(cs1)C[*:1] CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C[*:1]
CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CCc1ccsc1 c1cc(cs1)CC[*:1] CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[*:1]
CC(C)(C)SC[C@@H](O)C[C@H]1CCCN(S(C)(=O)=O)C1 CC(C)(C)SC[*:1] CS(=O)(=O)N1CCC[C@H](C[C@H](O)[*:1])C1
CC(C)(C)SC[C@@H](O)C[C@H]1CCCN(S(C)(=O)=O)C1 CC(C)(C)S[*:1] CS(=O)(=O)N1CCC[C@H](C[C@H](O)C[*:1])C1
CC(C)(C)SC[C@@H](O)C[C@H]1CCCN(S(C)(=O)=O)C1 CC(C)(C)[*:1] CS(=O)(=O)N1CCC[C@H](C[C@H](O)CS[*:1])C1
COc1ccccc1/C=C/c1nn2c(C[NH+]3CCCCC3)nnc2s1 COc1ccccc1[*:1] C(=C[*:1])c1nn2c(C[NH+]3CCCCC3)nnc2s1
NC(=O)c1ccccc1NC[C@]1(c2ccc(F)cc2)CCOC1 Fc1ccc(cc1)[*:1] NC(=O)c1ccccc1NC[C@@]1(CCOC1)[*:1]
NC(=O)c1ccccc1NC[C@]1(c2ccc(F)cc2)CCOC1 NC(=O)[*:1] Fc1ccc(cc1)[C@]1(CCOC1)CNc1ccccc1[*:1]
NS(=O)(=O)Cc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cnc2ccccn2c1=O
NS(=O)(=O)Cc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1 NS(=O)(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1cnc2ccccn2c1=O
Cc1ccc([C@H](O)C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](O)C[NH2+][C@H]1CC(=O)N(C[*:1])[C@@H]1C
Cc1ccc([C@H](O)C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1[C@H](CC(=O)N1Cc1ccccc1)[NH2+]C[C@@H](O)[*:1]
Cc1ccc([C@H](O)C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)[C@H](O)C[NH2+][C@H]1CC(=O)N([C@@H]1C)[*:1]
CN(C)C(=O)C1(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)CCCC1 C1CC1[*:1] CN(C)C(=O)C1(CCCC1)CNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
CN(C)C(=O)C1(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)CCCC1 CN(C)C(=O)[*:1] O=C(NCC1(CCCC1)[*:1])N[C@H]1CC(=O)N(C1)C1CC1
COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Sc2ncnc(NCCC3=c4ccccc4=[NH+]C3)c2[C@@H]1C COC(=O)[*:1] C[C@H]1c2c(ncnc2S[C@H]1C(=O)N1CCC[C@H]1[*:1])NCCC1C[NH+]=c2ccccc2=1
COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Sc2ncnc(NCCC3=c4ccccc4=[NH+]C3)c2[C@@H]1C COC(=O)[C@@H]1CCCN1C(=O)[*:1] C[C@H]1c2c(ncnc2S[C@H]1[*:1])NCCC1C[NH+]=c2ccccc2=1
CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1CC[NH+](C)C
C/C(=C\c1ccc2ncccc2c1)C[NH3+] CC(=C[*:1])C[NH3+] c1cnc2ccc(cc2c1)[*:1]
CCN(C[C@H](C)C(=O)OC)C(=O)c1ncccc1C(F)(F)F COC(=O)[*:1] CCN(C[C@H](C)[*:1])C(=O)c1ncccc1C(F)(F)F
CCN(C[C@H](C)C(=O)OC)C(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] CCN(C[C@H](C)C(=O)OC)C(=O)c1ncccc1[*:1]
CCN(C[C@H](C)C(=O)OC)C(=O)c1ncccc1C(F)(F)F COC(=O)[C@@H](C)[*:1] CCN(C[*:1])C(=O)c1ncccc1C(F)(F)F
CCN(C[C@H](C)C(=O)OC)C(=O)c1ncccc1C(F)(F)F COC(=O)[C@@H](C)C[*:1] CCN(C(=O)c1ncccc1C(F)(F)F)[*:1]
C/C(=C/C(=O)N(C)CC(=O)N(C)C)c1ccccc1OC(F)F FC(F)O[*:1] C/C(=C/C(=O)N(C)CC(=O)N(C)C)c1ccccc1[*:1]
C/C(=C/C(=O)N(C)CC(=O)N(C)C)c1ccccc1OC(F)F CN(C)C(=O)C[*:1] C/C(=C/C(=O)N(C)[*:1])c1ccccc1OC(F)F
C/C(=C/C(=O)N(C)CC(=O)N(C)C)c1ccccc1OC(F)F CN(C)C(=O)[*:1] C/C(=C/C(=O)N(C)C[*:1])c1ccccc1OC(F)F
C/C(=C/C(=O)N(C)CC(=O)N(C)C)c1ccccc1OC(F)F FC(F)[*:1] C/C(=C/C(=O)N(C)CC(=O)N(C)C)c1ccccc1O[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 NC(=O)[*:1] Cc1ccc(cc1NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 C1CC1[*:1] Cc1ccc(cc1NC(=O)N([C@@H]1CCCc2ccccc21)[*:1])C(N)=O
CCN(Cc1cccs1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 c1csc(c1)[*:1] CCN(C[*:1])C(=O)c1ccc(OC)c(c1)S(=O)(=O)N1CCCC1
CCN(Cc1cccs1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 c1csc(c1)C[*:1] CCN(C(=O)c1ccc(OC)c(c1)S(=O)(=O)N1CCCC1)[*:1]
CCN(Cc1cccs1)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] CCN(Cc1cccs1)C(=O)c1ccc(OC)c(c1)[*:1]
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)[nH]1 Cc1ccc(c(=O)[nH]1)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)NC(=O)[*:1]
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)Nc2cccc(c2)S(=O)(=O)N(C)[*:1])c(=O)[nH]1
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)N[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NC[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
Cc1cnc(CCNc2ccc(C(=O)Nc3ccccc3)nn2)s1 Cc1cnc(s1)[*:1] O=C(Nc1ccccc1)c1ccc(nn1)NCC[*:1]
Cc1cnc(CCNc2ccc(C(=O)Nc3ccccc3)nn2)s1 Cc1cnc(CC[*:1])s1 O=C(Nc1ccccc1)c1ccc(nn1)N[*:1]
Cc1cnc(CCNc2ccc(C(=O)Nc3ccccc3)nn2)s1 c1ccc(cc1)[*:1] Cc1cnc(CCNc2ccc(nn2)C(=O)N[*:1])s1
Cc1cnc(CCNc2ccc(C(=O)Nc3ccccc3)nn2)s1 Cc1cnc(C[*:1])s1 O=C(Nc1ccccc1)c1ccc(nn1)NC[*:1]
NC(=O)[C@H]1CC[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)O1 NC(=O)[*:1] C1CCC(CC1)[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[C@@H](O1)[*:1]
NC(=O)[C@H]1CC[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)O1 C1CCC(CC1)[*:1] NC(=O)[C@H]1CC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2[*:1])O1
Cc1nc2cc(N[C@H](C)C(=O)N(C(C)C)C(C)C)ccc2o1 CC(C)[*:1] Cc1nc2cc(ccc2o1)N[C@H](C)C(=O)N(C(C)C)[*:1]
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccoc1 CCOC(=O)[*:1] CCC1OC(N)=C(C#N)[C@@H](C=1[*:1])c1ccoc1
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccoc1 c1cc(co1)[*:1] CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1[*:1]
CN(C)C(=O)c1ccc(CSCC(=O)NCc2cccs2)cc1 c1csc(c1)[*:1] CN(C)C(=O)c1ccc(cc1)CSCC(=O)NC[*:1]
CN(C)C(=O)c1ccc(CSCC(=O)NCc2cccs2)cc1 c1csc(c1)C[*:1] CN(C)C(=O)c1ccc(cc1)CSCC(=O)N[*:1]
CN(C)C(=O)c1ccc(CSCC(=O)NCc2cccs2)cc1 CN(C)C(=O)[*:1] O=C(CSCc1ccc(cc1)[*:1])NCc1cccs1
COC(=O)c1cc(F)ccc1N[C@@H]1CCC[C@@H]([NH3+])C1 COC(=O)[*:1] [NH3+][C@@H]1CCC[C@H](C1)Nc1ccc(F)cc1[*:1]
CS[C@H](C)C(=O)N1CC[C@@H](c2ccccc2C)C1 CS[C@H](C)[*:1] Cc1ccccc1[C@@H]1CCN(C1)C(=O)[*:1]
O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[NH2+]2)c(Br)c1 O=[N+]([O-])[*:1] Brc1cc(cnc1NC[C@@H]1CCCC[NH2+]1)[*:1]
CCCn1cc(C(=O)Nc2nncs2)c2ccccc21 CCC[*:1] O=C(Nc1nncs1)c1cn(c2ccccc12)[*:1]
CCCn1cc(C(=O)Nc2nncs2)c2ccccc21 c1nnc(s1)[*:1] CCCn1cc(C(=O)N[*:1])c2ccccc21
O=C(C[C@H]1CCOc2ccccc21)Nc1ncn(Cc2ccccn2)n1 c1ccc(nc1)[*:1] O=C(C[C@H]1CCOc2ccccc21)Nc1ncn(C[*:1])n1
O=C(C[C@H]1CCOc2ccccc21)Nc1ncn(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 O=C(C[C@H]1CCOc2ccccc21)Nc1ncn(n1)[*:1]
CCc1nn(C)cc1CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 CCc1nn(C)cc1[*:1] CC(C)(C)c1ccc(cc1)C(=O)NCC(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCc1nn(C)cc1CNC(=O)CNC(=O)c1ccc(cc1)[*:1]
CCC(=O)N1CCC[NH+](Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC(=O)N1CCC[NH+](CC1)Cc1cc(OC)c(cc1[*:1])OC
COC(=O)/N=c1/n(C)c2ccccc2n1CC(=O)c1cccs1 O=C(c1cccs1)[*:1] COC(=O)/N=c1/n(C)c2ccccc2n1C[*:1]
COC(=O)/N=c1/n(C)c2ccccc2n1CC(=O)c1cccs1 c1csc(c1)[*:1] COC(=O)/N=c1/n(C)c2ccccc2n1CC(=O)[*:1]
CC(=O)[C@H](NC(=O)CS[C@H](C)C(C)C)C(C)C CC(C)[C@@H](C)[*:1] CC(=O)[C@H](NC(=O)CS[*:1])C(C)C
CC(=O)[C@H](NC(=O)CS[C@H](C)C(C)C)C(C)C CC(C)[*:1] CC(=O)[C@H](NC(=O)CS[C@H](C)[*:1])C(C)C
CC(=O)[C@H](NC(=O)CS[C@H](C)C(C)C)C(C)C CC(C)[*:1] CC(=O)[C@H](NC(=O)CS[C@H](C)C(C)C)[*:1]
CC(=O)[C@H](NC(=O)CS[C@H](C)C(C)C)C(C)C CC(=O)[*:1] CC(C)[C@@H](C)SCC(=O)N[C@H](C(C)C)[*:1]
O=C(Nc1ccccc1Cn1cccn1)N1CCC[C@H]1c1ccsc1 c1cnn(c1)[*:1] O=C(Nc1ccccc1C[*:1])N1CCC[C@H]1c1ccsc1
O=C(Nc1ccccc1Cn1cccn1)N1CCC[C@H]1c1ccsc1 c1cnn(c1)C[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@H]1c1ccsc1
O=C(Nc1ccccc1Cn1cccn1)N1CCC[C@H]1c1ccsc1 c1cc(cs1)[*:1] O=C(Nc1ccccc1Cn1cccn1)N1CCC[C@@H]1[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 CC(C)CC[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C1)O[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 CC(C)[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C1)OCC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 CC(C)C[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C1)OC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)NC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 CC(C)CCO[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C1)[*:1]
Cn1cccc1CCC(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O Cn1cccc1[*:1] O=C(CC[*:1])N1CCC2(CC1)c1ccccc1C[C@H]2O
Cn1cccc1CCC(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O Cn1cccc1C[*:1] O=C(C[*:1])N1CCC2(CC1)c1ccccc1C[C@H]2O
Cn1cccc1CCC(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O Cn1cccc1CC[*:1] O=C(N1CCC2(CC1)c1ccccc1C[C@H]2O)[*:1]
O=C(CCc1ccccc1)Nc1ccccc1Oc1ccsc1C(=O)[O-] c1ccc(cc1)C[*:1] O=C(C[*:1])Nc1ccccc1Oc1ccsc1C(=O)[O-]
O=C(CCc1ccccc1)Nc1ccccc1Oc1ccsc1C(=O)[O-] O=C([O-])[*:1] O=C(CCc1ccccc1)Nc1ccccc1Oc1ccsc1[*:1]
O=C(CCc1ccccc1)Nc1ccccc1Oc1ccsc1C(=O)[O-] c1ccc(cc1)CC[*:1] O=C([O-])c1sccc1Oc1ccccc1NC(=O)[*:1]
O=C(CCc1ccccc1)Nc1ccccc1Oc1ccsc1C(=O)[O-] c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1ccccc1Oc1ccsc1C(=O)[O-]
CC[NH+]1CCC(=NNC(=O)c2ccco2)CC1 c1coc(c1)[*:1] CC[NH+]1CCC(CC1)=NNC(=O)[*:1]
COc1ccccc1CNC(=O)C[C@@H](C)n1ccc(C)n1 Cc1ccn(n1)[*:1] COc1ccccc1CNC(=O)C[C@@H](C)[*:1]
CCc1onc(C)c1NC(=O)NC[C@H](O)C1CCCC1 C1CCC(C1)[*:1] CCc1onc(C)c1NC(=O)NC[C@H](O)[*:1]
C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 Oc1ccc(cc1)C[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)[*:1]
C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 Oc1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
O=C(COc1ccc2c(c1)OCO2)Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 c1cc2OCOc2cc1O[*:1] O=C(C[*:1])Nc1nnc(s1)[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
O=C(COc1ccc2c(c1)OCO2)Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 Clc1ccc(cc1)[*:1] O=C(COc1ccc2OCOc2c1)Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1]
O=C(COc1ccc2c(c1)OCO2)Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 c1cc2OCOc2cc1[*:1] O=C(CO[*:1])Nc1nnc(s1)[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
CC(C)[C@@H](C#N)OC(=O)c1cccc(NC(=O)C(C)(C)C)c1 CC(C)(C)[*:1] CC(C)[C@@H](C#N)OC(=O)c1cccc(c1)NC(=O)[*:1]
CC(C)[C@@H](C#N)OC(=O)c1cccc(NC(=O)C(C)(C)C)c1 CC(C)(C)C(=O)N[*:1] CC(C)[C@@H](C#N)OC(=O)c1cccc(c1)[*:1]
CC(C)[C@@H](C#N)OC(=O)c1cccc(NC(=O)C(C)(C)C)c1 CC(C)[*:1] CC(C)(C)C(=O)Nc1cccc(c1)C(=O)O[C@H](C#N)[*:1]
C[C@H](OC[C@H](O)CNC(=O)c1ccncc1)c1ccccc1 c1cc(ccn1)[*:1] C[C@H](OC[C@H](O)CNC(=O)[*:1])c1ccccc1
C[C@H](OC[C@H](O)CNC(=O)c1ccncc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](OC[C@H](O)CNC(=O)c1ccncc1)[*:1]
COC(=O)[C@H]1C[S@](=O)[C@H]2Cc3ccc(OC)cc3[C@H]2N1 COC(=O)[*:1] COc1ccc2C[C@H]3[C@H](N[C@H](C[S@@]3=O)[*:1])c2c1
Cc1nc(C)c(CNC(=O)N2CCC([NH+]3CCCC3)CC2)s1 Cc1nc(C)c(s1)[*:1] O=C(NC[*:1])N1CCC(CC1)[NH+]1CCCC1
C[C@H](CC(=O)Nc1ccnn1C[C@H]1CCOC1)Cc1ccc(Cl)cc1 C1C[C@@H](CO1)[*:1] C[C@H](CC(=O)Nc1ccnn1C[*:1])Cc1ccc(Cl)cc1
C[C@H](CC(=O)Nc1ccnn1C[C@H]1CCOC1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)Nc1ccnn1C[C@H]1CCOC1)C[*:1]
C[C@H](CC(=O)Nc1ccnn1C[C@H]1CCOC1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@H](CC(=O)Nc1ccnn1C[C@H]1CCOC1)[*:1]
C[C@H](CC(=O)Nc1ccnn1C[C@H]1CCOC1)Cc1ccc(Cl)cc1 C1C[C@@H](CO1)C[*:1] C[C@H](CC(=O)Nc1ccnn1[*:1])Cc1ccc(Cl)cc1
CCc1cnc(N[C@H](CCO)c2ccc(C)cc2)nc1 OCC[*:1] CCc1cnc(nc1)N[C@H](c1ccc(C)cc1)[*:1]
COc1cccc(/C([O-])=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 COc1cccc(c1)[*:1] N#C/C(C(=O)Nc1ccc(F)c(Cl)c1)=C(\[O-])[*:1]
COc1cccc(/C([O-])=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 Fc1ccc(cc1Cl)[*:1] COc1cccc(c1)/C([O-])=C(/C#N)C(=O)N[*:1]
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCCC1=CCCCC1 C[S@@](=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)NCCC1=CCCCC1
CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(OC)cc2)cc1 CCO[*:1] COc1ccc(cc1)[C@@H](C)NS(=O)(=O)c1ccc(cc1)[*:1]
O=C(/C=C/c1ccc(F)cc1)NC(=S)NNS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccc(F)cc1)NC(=S)NNS(=O)(=O)[*:1]
O=C(/C=C/c1ccc(F)cc1)NC(=S)NNS(=O)(=O)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(C=C[*:1])NC(=S)NNS(=O)(=O)c1ccccc1
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O O=C(NCC(F)(F)F)[*:1] C[C@@]1(Cc2ccc3OCOc3c2)NC(=O)N(C[*:1])C1=O
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O FC(F)(F)[*:1] C[C@@]1(Cc2ccc3OCOc3c2)NC(=O)N(CC(=O)NC[*:1])C1=O
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O FC(F)(F)C[*:1] C[C@@]1(Cc2ccc3OCOc3c2)NC(=O)N(CC(=O)N[*:1])C1=O
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O c1cc2OCOc2cc1[*:1] C[C@@]1(C[*:1])NC(=O)N(CC(=O)NCC(F)(F)F)C1=O
C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O O=C(C[*:1])NCC(F)(F)F C[C@@]1(Cc2ccc3OCOc3c2)NC(=O)N(C1=O)[*:1]
CCc1nn([C@H](C)C(=O)NCc2ccccc2C)c(=O)c2cc3occc3n12 Cc1ccccc1C[*:1] CCc1nn(c(=O)c2cc3occc3n12)[C@H](C)C(=O)N[*:1]
CCc1nn([C@H](C)C(=O)NCc2ccccc2C)c(=O)c2cc3occc3n12 Cc1ccccc1[*:1] CCc1nn(c(=O)c2cc3occc3n12)[C@H](C)C(=O)NC[*:1]
CCCC[C@H]1C[C@]1(Br)[C@@H](O)c1ccccc1 CCC[*:1] O[C@@H](c1ccccc1)[C@@]1(Br)C[C@@H]1C[*:1]
CCCC[C@H]1C[C@]1(Br)[C@@H](O)c1ccccc1 CCCC[*:1] O[C@@H](c1ccccc1)[C@@]1(Br)C[C@@H]1[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1cc(cs1)[*:1] C[C@H](C[*:1])N(C)C(=O)N[C@@H](Cn1cncn1)c1ccccc1
C[C@H](Cc1ccsc1)N(C)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)N[C@@H](Cn1cncn1)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1cc(cs1)C[*:1] C[C@H](N(C)C(=O)N[C@@H](Cn1cncn1)c1ccccc1)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(C[*:1])n1 C[C@H](Cc1ccsc1)N(C)C(=O)N[C@@H](c1ccccc1)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(n1)[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)N[C@@H](C[*:1])c1ccccc1
Cc1ccc(N[C@@H](C)C(=O)Nc2cc(C)on2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)N[C@@H](C)C(=O)N[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC(C)(C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)NCC(C)(C)[*:1]
COc1ccc(C(=O)NCC(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NCC(=O)[*:1]
O=C1[C@@H](Nc2ccc(CO)cc2)CCN1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1[C@H](CCN1[*:1])Nc1ccc(cc1)CO
Cc1ccc2nc(Sc3c([N+](=O)[O-])ncn3C)[nH]c2c1 O=[N+]([O-])[*:1] Cc1ccc2nc([nH]c2c1)Sc1c(ncn1C)[*:1]
CCC[NH2+]C[C@H](Cc1ccccc1C)c1ccccc1F Fc1ccccc1[*:1] CCC[NH2+]C[C@H](Cc1ccccc1C)[*:1]
CCC[NH2+]C[C@H](Cc1ccccc1C)c1ccccc1F Cc1ccccc1[*:1] CCC[NH2+]C[C@H](C[*:1])c1ccccc1F
CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc21 FC(F)(F)[*:1] CC(C)CCN1C(=O)CCc2cc(ccc21)NS(=O)(=O)c1cccc(c1)[*:1]
CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc21 CC(C)[*:1] O=C1CCc2cc(ccc2N1CC[*:1])NS(=O)(=O)c1cccc(c1)C(F)(F)F
CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc21 FC(F)(F)c1cccc(c1)[*:1] CC(C)CCN1C(=O)CCc2cc(ccc21)NS(=O)(=O)[*:1]
CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc21 CC(C)C[*:1] O=C1CCc2cc(ccc2N1C[*:1])NS(=O)(=O)c1cccc(c1)C(F)(F)F
CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc21 CC(C)CC[*:1] O=C1CCc2cc(ccc2N1[*:1])NS(=O)(=O)c1cccc(c1)C(F)(F)F
Cc1ccc(C)c(NC(=O)CSc2nccn2-c2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nccn1[*:1]
Cc1ccc(C)c(NC(=O)CSc2nccn2-c2cccc(C)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1cccc(c1C)-n1ccnc1SCC(=O)N[*:1]
Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1C[C@H]1C c1coc(c1)[*:1] Cc1sc(nc1C(=O)N[C@@H]1C[C@H]1C)[*:1]
COc1c(F)cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1F c1coc(c1)[*:1] COc1c(F)cc(cc1F)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
COc1c(F)cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1F c1coc(c1)C[*:1] COc1c(F)cc(cc1F)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)CNS(=O)(=O)c1ccc2c(c1)OCCO2 CC(C)[*:1] O=S(=O)(NC[*:1])c1ccc2OCCOc2c1
CC(C)CNS(=O)(=O)c1ccc2c(c1)OCCO2 CC(C)C[*:1] O=S(=O)(N[*:1])c1ccc2OCCOc2c1
Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)n1 O=[N+]([O-])[*:1] Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc(C)c(c2)[*:1])c(Cl)n1
Cc1ccccc1COc1ccccc1C(=O)NCC(N)=O NC(=O)CNC(=O)[*:1] Cc1ccccc1COc1ccccc1[*:1]
Cc1ccccc1COc1ccccc1C(=O)NCC(N)=O NC(=O)[*:1] Cc1ccccc1COc1ccccc1C(=O)NC[*:1]
Cc1ccccc1COc1ccccc1C(=O)NCC(N)=O NC(=O)C[*:1] Cc1ccccc1COc1ccccc1C(=O)N[*:1]
Cc1ccccc1COc1ccccc1C(=O)NCC(N)=O Cc1ccccc1[*:1] NC(=O)CNC(=O)c1ccccc1OC[*:1]
CCNC(=O)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 CCNC(=O)NC(=O)[*:1] FC(F)(F)c1cc(cc(c1)C(F)(F)F)OC[*:1]
CCNC(=O)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] CCNC(=O)NC(=O)COc1cc(cc(c1)[*:1])C(F)(F)F
CCOc1ccc(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(CC)cc2)cc1 CCOc1ccc(cc1)[*:1] CCc1ccc(cc1)-n1nc(C)c2c(cc(C)nc21)C(=O)NC[*:1]
CCOc1ccc(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(CC)cc2)cc1 CCOc1ccc(cc1)C[*:1] CCc1ccc(cc1)-n1nc(C)c2c(cc(C)nc21)C(=O)N[*:1]
CCOc1ccc(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(CC)cc2)cc1 CCc1ccc(cc1)[*:1] CCOc1ccc(cc1)CNC(=O)c1cc(C)nc2c1c(C)nn2[*:1]
CCOc1ccc(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(CC)cc2)cc1 CCO[*:1] CCc1ccc(cc1)-n1nc(C)c2c(cc(C)nc21)C(=O)NCc1ccc(cc1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NC3CC3)CC2)C1 C1CC1[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CN1CCN(CC1)C(=O)N[*:1]
C[C@@H](NC(=O)CC1CCN(C(=O)[C@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(CC1CCN(CC1)C(=O)[C@H]1C=c2cc(Cl)ccc2=[NH+]1)N[*:1]
C[C@@H](NC(=O)CC1CCN(C(=O)[C@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CC1CCN(CC1)C(=O)[C@H]1C=c2cc(Cl)ccc2=[NH+]1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H]1CCCN1C(=O)C1CC1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)[C@@H]1CCCN1C(=O)C1CC1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] Cc1ccc(cc1NC(=O)[C@@H]1CCCN1C(=O)[*:1])-c1ncco1
Cc1ccccc1NC(=O)NNC(=O)CCC(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] Cc1ccccc1NC(=O)NNC(=O)CCC(=O)[*:1]
Cc1ccccc1NC(=O)NNC(=O)CCC(=O)c1ccc(F)c(F)c1 Cc1ccccc1[*:1] O=C(CCC(=O)c1ccc(F)c(F)c1)NNC(=O)N[*:1]
CC(C)NC(=O)c1cc(C(F)(F)F)ccc1NN FC(F)(F)[*:1] CC(C)NC(=O)c1cc(ccc1NN)[*:1]
CC(C)NC(=O)c1cc(C(F)(F)F)ccc1NN CC(C)[*:1] NNc1ccc(cc1C(=O)N[*:1])C(F)(F)F
CC(C)NC(=O)c1cc(C(F)(F)F)ccc1NN CC(C)NC(=O)[*:1] NNc1ccc(cc1[*:1])C(F)(F)F
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2c(C)noc2C)c1C COC(=O)[*:1] Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)c1[nH]c(C)c(c1C)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2c(C)noc2C)c1C Cc1noc(C)c1[*:1] COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[*:1])c1C
C=C(C)COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 C=C(C)[*:1] Cc1ccc(NC(=O)c2ccc(cc2)OC[*:1])c(C)c1
C=C(C)COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 C=C(C)C[*:1] Cc1ccc(NC(=O)c2ccc(cc2)O[*:1])c(C)c1
C=C(C)COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 C=C(C)CO[*:1] Cc1ccc(NC(=O)c2ccc(cc2)[*:1])c(C)c1
CN(C)C(=O)C[NH2+]CCC(=O)NC1CC1 CN(C)C(=O)[*:1] O=C(CC[NH2+]C[*:1])NC1CC1
CN(C)C(=O)C[NH2+]CCC(=O)NC1CC1 C1CC1[*:1] CN(C)C(=O)C[NH2+]CCC(=O)N[*:1]
CCc1cc(CN(C)Cc2c(CO)c[nH+]c(C)c2[O-])on1 CCc1cc(on1)[*:1] Cc1[nH+]cc(CO)c(CN(C)C[*:1])c1[O-]
Nc1nc(SCC(=O)NCc2ccccc2Cl)ncc1S(=O)(=O)c1ccc(Cl)s1 Clc1ccccc1[*:1] Nc1nc(ncc1S(=O)(=O)c1ccc(Cl)s1)SCC(=O)NC[*:1]
Nc1nc(SCC(=O)NCc2ccccc2Cl)ncc1S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Nc1nc(ncc1S(=O)(=O)[*:1])SCC(=O)NCc1ccccc1Cl
Nc1nc(SCC(=O)NCc2ccccc2Cl)ncc1S(=O)(=O)c1ccc(Cl)s1 O=S(=O)(c1ccc(Cl)s1)[*:1] Nc1nc(ncc1[*:1])SCC(=O)NCc1ccccc1Cl
Nc1nc(SCC(=O)NCc2ccccc2Cl)ncc1S(=O)(=O)c1ccc(Cl)s1 Clc1ccccc1C[*:1] Nc1nc(ncc1S(=O)(=O)c1ccc(Cl)s1)SCC(=O)N[*:1]
CN(CCc1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 c1ccc(cc1)C[*:1] CN(C[*:1])C(=O)Nc1nc(cs1)-c1cccnc1
CN(CCc1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] CN(CCc1ccccc1)C(=O)Nc1nc(cs1)[*:1]
CN(CCc1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)Nc1nc(cs1)-c1cccnc1
CN(CCc1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 c1ccc(cc1)CC[*:1] CN(C(=O)Nc1nc(cs1)-c1cccnc1)[*:1]
CCOCCO[C@H]1CCN(C(=O)c2nc(C3CC3)n3ccccc23)C1 CCOC[*:1] O=C(c1nc(C2CC2)n2ccccc12)N1CC[C@@H](C1)OC[*:1]
CCOCCO[C@H]1CCN(C(=O)c2nc(C3CC3)n3ccccc23)C1 CCOCC[*:1] O=C(c1nc(C2CC2)n2ccccc12)N1CC[C@@H](C1)O[*:1]
CCOCCO[C@H]1CCN(C(=O)c2nc(C3CC3)n3ccccc23)C1 CCOCCO[*:1] O=C(c1nc(C2CC2)n2ccccc12)N1CC[C@@H](C1)[*:1]
CCOCCO[C@H]1CCN(C(=O)c2nc(C3CC3)n3ccccc23)C1 CCO[*:1] O=C(c1nc(C2CC2)n2ccccc12)N1CC[C@@H](C1)OCC[*:1]
CCOCCO[C@H]1CCN(C(=O)c2nc(C3CC3)n3ccccc23)C1 C1CC1[*:1] CCOCCO[C@H]1CCN(C1)C(=O)c1nc(n2ccccc12)[*:1]
CCn1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)C(=O)N[C@@H]1CCCN(C[*:1])C1=O
CCn1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cn1 CCn1cc(cn1)[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)NC(=O)[*:1]
CCn1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cn1 c1ccc(cc1)C[*:1] CCn1cc(cn1)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccn4)nc3c1[C@H]2c1ccco1 c1coc(c1)[*:1] Oc1ccc2c(c1)Oc1ncn3nc(nc3c1[C@@H]2[*:1])-c1ccccn1
Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccn4)nc3c1[C@H]2c1ccco1 c1ccc(nc1)[*:1] Oc1ccc2c(c1)Oc1ncn3nc(nc3c1[C@H]2c1ccco1)[*:1]
CCC[C@@H](NC(=O)c1ccc(Cl)cn1)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)c1ccc(Cl)cn1)[*:1]
CCC[C@@H](NC(=O)c1ccc(Cl)cn1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)c1ccc(Cl)cn1)[*:1]
C[C@H](OC(=O)c1cnn(CC(=O)NC2CCCCC2)c1)[C@@H]1CCCO1 C1CCC(CC1)[*:1] C[C@H](OC(=O)c1cnn(c1)CC(=O)N[*:1])[C@@H]1CCCO1
O=C(NCc1cccnc1OC1CCCC1)c1ccc(N2CCNC2=O)cc1 C1CCC(C1)[*:1] O=C(NCc1cccnc1O[*:1])c1ccc(cc1)N1CCNC1=O
O=C(NCc1cccnc1OC1CCCC1)c1ccc(N2CCNC2=O)cc1 C1CCC(C1)O[*:1] O=C(NCc1cccnc1[*:1])c1ccc(cc1)N1CCNC1=O
O=C(NCc1cccnc1OC1CCCC1)c1ccc(N2CCNC2=O)cc1 O=C1NCCN1[*:1] O=C(NCc1cccnc1OC1CCCC1)c1ccc(cc1)[*:1]
O=C(Nc1cc(F)ccc1F)c1noc2c1COc1ccccc1-2 Fc1ccc(F)c(c1)[*:1] O=C(N[*:1])c1noc2-c3ccccc3OCc12
CC(=O)Nc1nc(C(=O)Oc2cccc(Br)c2)cs1 CC(=O)N[*:1] O=C(Oc1cccc(Br)c1)c1csc(n1)[*:1]
CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3C2=O)cc1 CC(=O)N[*:1] C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3C2=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
NS(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 FC(F)(F)[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)C1CCN(CC1)c1ccc(cn1)[*:1]
NS(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1ccc(cn1)C(F)(F)F
NS(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 NS(=O)(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])C1CCN(CC1)c1ccc(cn1)C(F)(F)F
NS(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 FC(F)(F)c1ccc(nc1)[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)C1CCN(CC1)[*:1]
O=C(NCc1csc(=O)[nH]1)[C@@H]1C[C@@H]1C1CC1 C1CC1[*:1] O=C(NCc1csc(=O)[nH]1)[C@@H]1C[C@H]1[*:1]
CC(C)(C)NC(=O)CSc1nc2cc(Cl)ccc2s1 CC(C)(C)[*:1] O=C(CSc1nc2cc(Cl)ccc2s1)N[*:1]
CN(Cc1nnc2ccccn12)C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(Cc1nnc2ccccn12)C(=O)[*:1]
COc1ccc(Nc2nc3nccc(-c4ccc(OC)cc4)c3c(=O)[nH]2)cc1 COc1ccc(cc1)N[*:1] COc1ccc(cc1)-c1ccnc2nc([nH]c(=O)c12)[*:1]
COc1ccc(Nc2nc3nccc(-c4ccc(OC)cc4)c3c(=O)[nH]2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)-c1ccnc2nc(N[*:1])[nH]c(=O)c12
COc1ccc(Nc2nc3nccc(-c4ccc(OC)cc4)c3c(=O)[nH]2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)Nc1nc2nccc(c2c(=O)[nH]1)[*:1]
CCCc1noc(CN2CCc3cc(F)ccc3C2)n1 CCC[*:1] Fc1ccc2CN(CCc2c1)Cc1nc(no1)[*:1]
CC(C)C(=O)N1CCN(Cc2nc3cc(Cl)ccc3n2C)CC1 CC(C)[*:1] Cn1c(CN2CCN(CC2)C(=O)[*:1])nc2cc(Cl)ccc21
Cc1ccc([C@H](Nc2cc(C)nc3ncnn23)c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@H](Nc1cc(C)nc2ncnn12)[*:1]
Cc1ccc([C@H](Nc2cc(C)nc3ncnn23)c2cccs2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(N[C@H](c2cccs2)[*:1])n2ncnc2n1
CSCCCNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 CSC[*:1] O=C(NCC[*:1])NC[C@@H](O)c1cc(Cl)cc(Cl)c1
CSCCCNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 CSCCC[*:1] O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)N[*:1]
CSCCCNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 CSCC[*:1] O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[*:1]
O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)[C@@H]1COc2ccccc2O1 O=S1(=O)CC[C@H](C1)C[*:1] O=C(NNC(=O)[*:1])[C@@H]1COc2ccccc2O1
O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)[C@@H]1COc2ccccc2O1 O=S1(=O)CC[C@H](C1)[*:1] O=C(C[*:1])NNC(=O)[C@@H]1COc2ccccc2O1
CCOCCO[C@H]1CCN(C(=O)[C@H]2CCO[C@@H]2C)C1 CCOC[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C1)OC[*:1]
CCOCCO[C@H]1CCN(C(=O)[C@H]2CCO[C@@H]2C)C1 CCO[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C1)OCC[*:1]
CCOCCO[C@H]1CCN(C(=O)[C@H]2CCO[C@@H]2C)C1 CCOCC[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C1)O[*:1]
CCOCCO[C@H]1CCN(C(=O)[C@H]2CCO[C@@H]2C)C1 CCOCCO[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C1)[*:1]
CCCc1[nH+]ccn1[C@@H]1CCCC(C)(C)[C@H]1[NH2+]C CCC[*:1] C[NH2+][C@H]1[C@@H](CCCC1(C)C)n1cc[nH+]c1[*:1]
CCc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3CC)CC2=O)cc1 CCc1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(Cn1c(-c2cccs2)noc1=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] O=C(Cn1c(noc1=O)-c1cccs1)Nc1ccc(c(Cl)c1)[*:1]
O=C(Cn1c(-c2cccs2)noc1=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] O=C(Cn1c(noc1=O)-c1cccs1)Nc1ccc(O[*:1])c(Cl)c1
O=C(Cn1c(-c2cccs2)noc1=O)Nc1ccc(OC(F)F)c(Cl)c1 c1csc(c1)[*:1] O=C(Cn1c(noc1=O)[*:1])Nc1ccc(OC(F)F)c(Cl)c1
CC[NH2+][C@H](c1ncc[nH]1)[C@@H]1CCCC[C@H]1CC c1c[nH]c(n1)[*:1] CC[NH2+][C@H]([C@@H]1CCCC[C@H]1CC)[*:1]
C=CCN1C(N)=[NH+]C[C@H]1c1ccc(OC)c(C)c1 C=CC[*:1] COc1ccc(cc1C)[C@@H]1C[NH+]=C(N)N1[*:1]
Cc1cc(CN(C)C(=O)Nc2ccc[nH+]c2N2CCOCC2)no1 Cc1cc(C[*:1])no1 CN(C(=O)Nc1ccc[nH+]c1N1CCOCC1)[*:1]
Cc1cc(CN(C)C(=O)Nc2ccc[nH+]c2N2CCOCC2)no1 C1CN(CCO1)[*:1] Cc1cc(CN(C)C(=O)Nc2ccc[nH+]c2[*:1])no1
Cc1cc(CN(C)C(=O)Nc2ccc[nH+]c2N2CCOCC2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)Nc1ccc[nH+]c1N1CCOCC1
Cc1n[nH]c(-n2ccc3nc4ncnn4c(-c4ccc(F)cc4)c3c2=O)n1 Fc1ccc(cc1)[*:1] Cc1n[nH]c(n1)-n1ccc2nc3ncnn3c(c2c1=O)[*:1]
Cc1n[nH]c(-n2ccc3nc4ncnn4c(-c4ccc(F)cc4)c3c2=O)n1 Cc1n[nH]c(n1)[*:1] O=c1c2c(-c3ccc(F)cc3)n3ncnc3nc2ccn1[*:1]
CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 CS(=O)(=O)N[*:1] O=C([O-])c1ccc(c(c1)[*:1])N1CC[NH+](CC1)CC(=O)N1CCCC1
CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CS(=O)(=O)Nc1cc(ccc1N1CC[NH+](CC1)C[*:1])C(=O)[O-]
CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 O=C(C[*:1])N1CCCC1 CS(=O)(=O)Nc1cc(ccc1N1CC[NH+](CC1)[*:1])C(=O)[O-]
CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 O=C([O-])[*:1] CS(=O)(=O)Nc1cc(ccc1N1CC[NH+](CC1)CC(=O)N1CCCC1)[*:1]
CN(C)C(=O)c1ccc(CSc2ncc[nH]2)cc1 c1c[nH]c(n1)[*:1] CN(C)C(=O)c1ccc(cc1)CS[*:1]
CN(C)C(=O)c1ccc(CSc2ncc[nH]2)cc1 c1c[nH]c(n1)S[*:1] CN(C)C(=O)c1ccc(cc1)C[*:1]
CN(C)C(=O)c1ccc(CSc2ncc[nH]2)cc1 CN(C)C(=O)[*:1] c1c[nH]c(n1)SCc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1COCc1ccc(Cl)nc1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H]1COCc1ccc(Cl)nc1
CC(C)(C)OC(=O)N1CCC[C@@H]1COCc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H]1COC[*:1]
CC(C)[C@H](C(=O)[O-])[NH+]1CC2(CCCCCC2)C1 CC(C)[*:1] O=C([O-])[C@H]([NH+]1CC2(CCCCCC2)C1)[*:1]
CC(C)[C@H](C(=O)[O-])[NH+]1CC2(CCCCCC2)C1 O=C([O-])[*:1] CC(C)[C@H]([NH+]1CC2(CCCCCC2)C1)[*:1]
COc1ccc(N2C(=O)CC[C@@H](C(=O)NC3CCCCC3)[C@@H]2c2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)N1C(=O)CC[C@@H](C(=O)NC2CCCCC2)[C@H]1[*:1]
COc1ccc(N2C(=O)CC[C@@H](C(=O)NC3CCCCC3)[C@@H]2c2ccccc2OC)cc1 O=C(NC1CCCCC1)[*:1] COc1ccc(cc1)N1C(=O)CC[C@@H]([C@@H]1c1ccccc1OC)[*:1]
COc1ccc(N2C(=O)CC[C@@H](C(=O)NC3CCCCC3)[C@@H]2c2ccccc2OC)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)N1C(=O)CC[C@@H](C(=O)N[*:1])[C@@H]1c1ccccc1OC
COc1ccc(N2C(=O)CC[C@@H](C(=O)NC3CCCCC3)[C@@H]2c2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1[C@H]1[C@@H](CCC(=O)N1[*:1])C(=O)NC1CCCCC1
O=C(c1ccc(Br)cc1)N1CCN(C2=[NH+]N=C(c3ccccc3)CS2)CC1 Brc1ccc(cc1)[*:1] O=C(N1CCN(CC1)C1=[NH+]N=C(CS1)c1ccccc1)[*:1]
O=C(c1ccc(Br)cc1)N1CCN(C2=[NH+]N=C(c3ccccc3)CS2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(Br)cc1)N1CCN(CC1)C1=[NH+]N=C(CS1)[*:1]
CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 C1CCN(C1)[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)NC(=O)[C@@H]1CC(=O)N(C1)C1CCCCC1)[*:1]
CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 C1CCC(CC1)[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1])N1CCCC1
O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cc2c([nH]c1=O)CCCC2 O=C(N[*:1])N1CCCC1 O=C(NCc1cccc(c1)[*:1])c1cc2CCCCc2[nH]c1=O
C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(F)cc1F C1CC1[*:1] C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)N[*:1])c1ccc(F)cc1F
C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)[*:1]
C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(F)cc1F O=C(NC1CC1)[*:1] C[C@H]([NH2+]CC(=O)Nc1ccccc1[*:1])c1ccc(F)cc1F
C=C(C)C[C@@H]([NH3+])c1ncccc1C C=C(C)[*:1] Cc1cccnc1[C@H]([NH3+])C[*:1]
C=C(C)C[C@@H]([NH3+])c1ncccc1C C=C(C)C[*:1] Cc1cccnc1[C@H]([NH3+])[*:1]
CSc1ccc(C(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)cc1 CSc1ccc(cc1)[*:1] CC(=O)N[C@H](C)c1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
CSc1ccc(C(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)cc1 CC(=O)N[*:1] CSc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccc(cc1)[C@@H](C)[*:1]
CSc1ccc(C(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)cc1 CC(=O)N[C@H](C)[*:1] CSc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CCc1nc(=O)c2ccccc2n1C1=CC[NH+](CC(=O)NCCOC)CC1 COCC[*:1] CCc1nc(=O)c2ccccc2n1C1=CC[NH+](CC1)CC(=O)N[*:1]
CCc1nc(=O)c2ccccc2n1C1=CC[NH+](CC(=O)NCCOC)CC1 COCCNC(=O)[*:1] CCc1nc(=O)c2ccccc2n1C1=CC[NH+](CC1)C[*:1]
CCc1nc(=O)c2ccccc2n1C1=CC[NH+](CC(=O)NCCOC)CC1 COC[*:1] CCc1nc(=O)c2ccccc2n1C1=CC[NH+](CC1)CC(=O)NC[*:1]
CCc1nc(=O)c2ccccc2n1C1=CC[NH+](CC(=O)NCCOC)CC1 COCCNC(=O)C[*:1] CCc1nc(=O)c2ccccc2n1C1=CC[NH+](CC1)[*:1]
Cc1ccc(NC(=O)c2nn(C)c3c2CCc2sccc2-3)cc1Cl Cc1ccc(cc1Cl)[*:1] Cn1nc(C(=O)N[*:1])c2CCc3sccc3-c21
CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2C)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)[C@@H]2C[C@@H]2C)c(c1C)[*:1]
O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)c1ccc(O)cc1 C(=C[*:1])c1ccccc1 O=C(N/N=C(\c1ccccc1)[*:1])c1ccc(O)cc1
O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)c1ccc(O)cc1 c1ccc(cc1)[*:1] O=C(NN=C(/C=C/c1ccccc1)[*:1])c1ccc(O)cc1
O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)c1ccc(O)cc1 c1ccc(cc1)[*:1] O=C(N/N=C(/C=C[*:1])c1ccccc1)c1ccc(O)cc1
O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)[*:1]
Cc1cc(N2CCN(c3nc(C4CC4)ns3)CC2)nc(C(C)C)[nH+]1 C1CC1[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)c1nc(ns1)[*:1]
Cc1cc(N2CCN(c3nc(C4CC4)ns3)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCN(CC1)c1nc(ns1)C1CC1
Cc1cc(N2CCN(c3nc(C4CC4)ns3)CC2)nc(C(C)C)[nH+]1 C1CC1c1nsc(n1)[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)[*:1]
O=S(=O)(NCc1ccccc1OC(F)(F)F)c1cccs1 FC(F)(F)[*:1] O=S(=O)(NCc1ccccc1O[*:1])c1cccs1
O=S(=O)(NCc1ccccc1OC(F)(F)F)c1cccs1 FC(F)(F)O[*:1] O=S(=O)(NCc1ccccc1[*:1])c1cccs1
O=S(=O)(NCc1ccccc1OC(F)(F)F)c1cccs1 c1csc(c1)[*:1] O=S(=O)(NCc1ccccc1OC(F)(F)F)[*:1]
O=C(Nc1ccc(C[S@](=O)c2ccc(Cl)cc2)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C[S@](=O)[*:1])c1ccccc1
O=C(Nc1ccc(C[S@](=O)c2ccc(Cl)cc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C[S@](=O)c1ccc(Cl)cc1)[*:1]
COc1cc(CN2CCO[C@H](c3nccs3)C2)c(SC)cc1OC c1csc(n1)[*:1] COc1cc(CN2CCO[C@H](C2)[*:1])c(cc1OC)SC
CC(C)C[C@@H](C[NH3+])C(=O)NCC1(O)CCCCCC1 CC(C)C[*:1] [NH3+]C[C@@H](C(=O)NCC1(O)CCCCCC1)[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)NCC1(O)CCCCCC1 CC(C)[*:1] [NH3+]C[C@H](C[*:1])C(=O)NCC1(O)CCCCCC1
Cc1c(CCC(=O)NCc2ccncc2)cnn1C c1cc(ccn1)[*:1] Cc1c(cnn1C)CCC(=O)NC[*:1]
O=C1CC[C@H](C(=O)NCc2cc(Cl)ccc2OC(F)F)N1 O=C1CC[C@H](N1)[*:1] O=C(NCc1cc(Cl)ccc1OC(F)F)[*:1]
O=C1CC[C@H](C(=O)NCc2cc(Cl)ccc2OC(F)F)N1 FC(F)[*:1] O=C1CC[C@@H](N1)C(=O)NCc1cc(Cl)ccc1O[*:1]
O=C1CC[C@H](C(=O)NCc2cc(Cl)ccc2OC(F)F)N1 FC(F)O[*:1] O=C1CC[C@@H](N1)C(=O)NCc1cc(Cl)ccc1[*:1]
C#CC[C@@H](OC(=O)[C@@H]1CSc2ccccc21)C1CC1 C1CC1[*:1] C#CC[C@@H](OC(=O)[C@@H]1CSc2ccccc21)[*:1]
C#CC[C@@H](OC(=O)[C@@H]1CSc2ccccc21)C1CC1 C#CC[*:1] O=C(O[C@@H](C1CC1)[*:1])[C@@H]1CSc2ccccc21
Cc1ccc(NC(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)cc1 Cc1ccc(cc1)[*:1] O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)cc1 O=C1CCC[C@@H]1[*:1] Cc1ccc(cc1)NC(=O)N1CCC[C@H]1[*:1]
O=[N+]([O-])c1ccc2nnn(C(=S)c3ccco3)c2c1 c1coc(c1)[*:1] O=[N+]([O-])c1ccc2nnn(C(=S)[*:1])c2c1
O=[N+]([O-])c1ccc2nnn(C(=S)c3ccco3)c2c1 O=[N+]([O-])[*:1] S=C(c1ccco1)n1nnc2ccc(cc21)[*:1]
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)s1 c1cncc(c1)[*:1] CC(C)Sc1nnc(s1)N1C(N)=C(C#N)[C@@H](C2C(=O)CC(C)(C)CC=21)[*:1]
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)s1 CC(C)S[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2c1cccnc1)c1nnc(s1)[*:1]
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)s1 CC(C)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2c1cccnc1)c1nnc(S[*:1])s1
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)s1 CC(C)Sc1nnc(s1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2c1cccnc1)[*:1]
Cc1cc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(CCc1ncc(o1)-c1c(F)cccc1F)N[*:1]
Cc1cc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)[nH]n1 Fc1cccc(F)c1[*:1] Cc1cc(NC(=O)CCc2ncc(o2)[*:1])[nH]n1
CC(=O)Nc1ccc(CNCCc2nncn2C2CC2)cc1 C1CC1[*:1] CC(=O)Nc1ccc(cc1)CNCCc1nncn1[*:1]
CC(=O)Nc1ccc(CNCCc2nncn2C2CC2)cc1 CC(=O)N[*:1] c1cc(ccc1CNCCc1nncn1C1CC1)[*:1]
CC[C@@H]1CC[C@@H](N(CCC#N)Cc2ccccn2)C1 c1ccc(nc1)[*:1] CC[C@@H]1CC[C@H](C1)N(CCC#N)C[*:1]
CC[C@@H]1CC[C@@H](N(CCC#N)Cc2ccccn2)C1 N#CCC[*:1] CC[C@@H]1CC[C@H](C1)N(Cc1ccccn1)[*:1]
CC[C@@H]1CC[C@@H](N(CCC#N)Cc2ccccn2)C1 N#CC[*:1] CC[C@@H]1CC[C@H](C1)N(Cc1ccccn1)C[*:1]
O=C(CCc1ccccc1Cl)NNC(=O)Cc1cccc2ccccc12 Clc1ccccc1[*:1] O=C(CC[*:1])NNC(=O)Cc1cccc2ccccc12
O=C(CCc1ccccc1Cl)NNC(=O)Cc1cccc2ccccc12 Clc1ccccc1C[*:1] O=C(Cc1cccc2ccccc12)NNC(=O)C[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@H]1C[C@@H]1C NC(=O)[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@H]1C[C@@H]1C)[*:1]
Cc1cc(F)c(N)cc1S(=O)(=O)N(C)[C@H](C)C(C)(C)C CC(C)(C)[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)N(C)[C@H](C)[*:1]
Cc1cc(F)c(N)cc1S(=O)(=O)N(C)[C@H](C)C(C)(C)C C[C@H](C(C)(C)C)[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)N(C)[*:1]
Cc1ccc(SCC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 Cc1ccc(cc1)[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)CS[*:1]
CC(C)c1c(C(=O)NCCc2cc(F)cc(F)c2)cnn1-c1ccc(F)cc1 Fc1cc(F)cc(c1)C[*:1] CC(C)c1c(cnn1-c1ccc(F)cc1)C(=O)NC[*:1]
CC(C)c1c(C(=O)NCCc2cc(F)cc(F)c2)cnn1-c1ccc(F)cc1 CC(C)[*:1] O=C(NCCc1cc(F)cc(F)c1)c1cnn(-c2ccc(F)cc2)c1[*:1]
CC(C)c1c(C(=O)NCCc2cc(F)cc(F)c2)cnn1-c1ccc(F)cc1 Fc1cc(F)cc(c1)[*:1] CC(C)c1c(cnn1-c1ccc(F)cc1)C(=O)NCC[*:1]
CC(C)c1c(C(=O)NCCc2cc(F)cc(F)c2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)c1c(cnn1[*:1])C(=O)NCCc1cc(F)cc(F)c1
C[C@H]1CCc2nc(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3OC(F)F)sc2C1 FC(F)[*:1] C[C@H]1CCc2nc(sc2C1)/C(C#N)=C/c1cc(ccc1O[*:1])[N+](=O)[O-]
C[C@H]1CCc2nc(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3OC(F)F)sc2C1 FC(F)O[*:1] C[C@H]1CCc2nc(sc2C1)/C(C#N)=C/c1cc(ccc1[*:1])[N+](=O)[O-]
C[C@H]1CCc2nc(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3OC(F)F)sc2C1 O=[N+]([O-])[*:1] C[C@H]1CCc2nc(sc2C1)/C(C#N)=C/c1cc(ccc1OC(F)F)[*:1]
C#CC[C@@H](C)OC(=O)CCOc1c(C)cccc1C C#CC[*:1] Cc1cccc(C)c1OCCC(=O)O[C@H](C)[*:1]
C[C@H](CCO)CNC(=O)N[C@H](C)c1cnn(C)c1 C[C@H](CCO)[*:1] C[C@@H](NC(=O)NC[*:1])c1cnn(C)c1
C[C@H](CCO)CNC(=O)N[C@H](C)c1cnn(C)c1 C[C@H](CCO)C[*:1] C[C@@H](NC(=O)N[*:1])c1cnn(C)c1
C[C@H](CCO)CNC(=O)N[C@H](C)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](CCO)CNC(=O)N[C@H](C)[*:1]
C[C@H](CCO)CNC(=O)N[C@H](C)c1cnn(C)c1 OCC[*:1] C[C@@H](NC(=O)NC[C@@H](C)[*:1])c1cnn(C)c1
Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCc3ccccc32)cc1F Cc1ccc(cc1F)[*:1] O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)N[*:1]
Cc1c(C(=O)N(C)[C@H](C)CS(C)(=O)=O)sc2nc(C(F)(F)F)ccc12 FC(F)(F)[*:1] Cc1c(sc2nc(ccc12)[*:1])C(=O)N(C)[C@H](C)CS(C)(=O)=O
Cc1c(C(=O)N(C)[C@H](C)CS(C)(=O)=O)sc2nc(C(F)(F)F)ccc12 CS(=O)(=O)[*:1] Cc1c(sc2nc(ccc12)C(F)(F)F)C(=O)N(C)[C@H](C)C[*:1]
Cc1c(C(=O)N(C)[C@H](C)CS(C)(=O)=O)sc2nc(C(F)(F)F)ccc12 CS(=O)(=O)C[*:1] Cc1c(sc2nc(ccc12)C(F)(F)F)C(=O)N(C)[C@H](C)[*:1]
CCOC(=O)c1nnnn1[C@H](C)[C@H](C)O C[C@H](O)[C@@H](C)[*:1] CCOC(=O)c1nnnn1[*:1]
CCOC(=O)c1nnnn1[C@H](C)[C@H](C)O CCOC(=O)[*:1] C[C@H](O)[C@@H](C)n1nnnc1[*:1]
CCOC(=O)c1nnnn1[C@H](C)[C@H](C)O C[C@H](O)[*:1] CCOC(=O)c1nnnn1[C@H](C)[*:1]
COc1ccccc1O[C@H](C)CNC1=NS(=O)(=O)c2ccccc21 COc1ccccc1[*:1] C[C@H](CNC1=NS(=O)(=O)c2ccccc21)O[*:1]
CC(C)N(CC[NH+]1CCCC1)C[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] CC(C)N(CC[NH+]1CCCC1)C[*:1]
CC(C)N(CC[NH+]1CCCC1)C[C@@H]1CCCCO1 CC(C)[*:1] C1CC[C@@H](CN(CC[NH+]2CCCC2)[*:1])OC1
CC(C)(C(=O)OC[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C(=O)OC[C@H]1CC(=O)N(C1)C1CC1)[*:1]
CC(C)(C(=O)OC[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1 C1CC1[*:1] CC(C)(C(=O)OC[C@H]1CC(=O)N(C1)[*:1])c1ccccc1
O=C(Nc1ccc(-n2cccn2)nc1)c1ccc2ccccc2n1 c1cnn(c1)[*:1] O=C(Nc1ccc(nc1)[*:1])c1ccc2ccccc2n1
Cc1nn(C)c(C)c1OS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 CC(C)C(=O)[*:1] Cc1nn(C)c(C)c1OS(=O)(=O)c1ccc(cc1)[*:1]
Cc1nn(C)c(C)c1OS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 CC(C)[*:1] Cc1nn(C)c(C)c1OS(=O)(=O)c1ccc(cc1)C(=O)[*:1]
COc1cccc(CNC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)c1 O=C(N[*:1])c1cccs1 COc1cccc(c1)CNC(=O)c1cc(n(C)n1)[*:1]
COc1cccc(CNC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)c1 c1csc(c1)[*:1] COc1cccc(c1)CNC(=O)c1cc(NC(=O)[*:1])n(C)n1
COc1cccc(CNC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)c1 COc1cccc(c1)[*:1] Cn1nc(cc1NC(=O)c1cccs1)C(=O)NC[*:1]
Cc1ncccc1C(=O)N(Cc1cccc(N)c1)C1CC1 Nc1cccc(c1)[*:1] Cc1ncccc1C(=O)N(C[*:1])C1CC1
Cc1ncccc1C(=O)N(Cc1cccc(N)c1)C1CC1 Cc1ncccc1[*:1] Nc1cccc(c1)CN(C(=O)[*:1])C1CC1
Cc1ncccc1C(=O)N(Cc1cccc(N)c1)C1CC1 C1CC1[*:1] Cc1ncccc1C(=O)N(Cc1cccc(N)c1)[*:1]
Cc1ccc(F)cc1S(=O)(=O)NCCCCn1ccccc1=O O=c1ccccn1[*:1] Cc1ccc(F)cc1S(=O)(=O)NCCCC[*:1]
O=C(c1cnsn1)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(c1cnsn1)N1CCCC[C@@H]1CC[*:1]
O=C(c1cnsn1)N1CCCC[C@@H]1CCc1ccccc1 c1nsnc1[*:1] O=C(N1CCCC[C@@H]1CCc1ccccc1)[*:1]
O=C(c1cnsn1)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1cnsn1)N1CCCC[C@@H]1C[*:1]
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(OC)CC2)c1C COC[*:1] COC1CCN(CC1)C(=O)/C(C#N)=C\c1cc(C)n(C[*:1])c1C
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(OC)CC2)c1C COCC[*:1] COC1CCN(CC1)C(=O)/C(C#N)=C\c1cc(C)n(c1C)[*:1]
CC[C@H](NC(=O)Cn1ccnc1)c1cccc(Cl)c1 c1cn(cn1)[*:1] CC[C@H](NC(=O)C[*:1])c1cccc(Cl)c1
CC[C@H](NC(=O)Cn1ccnc1)c1cccc(Cl)c1 c1cn(cn1)C[*:1] CC[C@H](NC(=O)[*:1])c1cccc(Cl)c1
C=CCc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc(OC)c1O C=CC[*:1] COc1cc(cc(c1O)[*:1])[C@@H]1NC(N)=Nc2nc3ccccc3n21
CC(C)(C)CC(=O)N1CCC([NH2+]CC(=O)Nc2ccc(F)cc2)CC1 CC(C)(C)[*:1] O=C(C[NH2+]C1CCN(CC1)C(=O)C[*:1])Nc1ccc(F)cc1
CC(C)(C)CC(=O)N1CCC([NH2+]CC(=O)Nc2ccc(F)cc2)CC1 CC(C)(C)C[*:1] O=C(C[NH2+]C1CCN(CC1)C(=O)[*:1])Nc1ccc(F)cc1
CC(C)(C)CC(=O)N1CCC([NH2+]CC(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)(C)CC(=O)N1CCC(CC1)[NH2+]CC(=O)N[*:1]
O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1Cl)N[*:1]
O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 Clc1ccc(c(Cl)c1)[*:1] O=C(CCS(=O)(=O)C[*:1])Nc1ccc(F)cc1
C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CC1 C1CO[C@H](C1)CO[*:1] C[C@@H]1CCCN(CC1)C(=O)C(=O)Nc1cccc(c1)[*:1]
C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CC1 C1CO[C@H](C1)C[*:1] C[C@@H]1CCCN(CC1)C(=O)C(=O)Nc1cccc(c1)O[*:1]
C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CC1 C1CO[C@H](C1)[*:1] C[C@@H]1CCCN(CC1)C(=O)C(=O)Nc1cccc(c1)OC[*:1]
CC(C)(C)OCc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 CC(C)(C)OC[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
CC(C)(C)OCc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)CO[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
CC(C)(C)OCc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 CC(C)(C)O[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
Cc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)nn1C Clc1ccc(cc1)[*:1] Cc1cc(nn1C)-c1nnc(NC(=O)[*:1])o1
Cc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)nn1C Cc1cc(nn1C)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(Cl)cc1
Cc1cc(-c2cn3cc(C(=O)N(C)CC[NH+](C)C)nc3c(=O)n2C)c(C)o1 Cc1cc(c(C)o1)[*:1] CN(CC[NH+](C)C)C(=O)c1cn2cc(n(C)c(=O)c2n1)[*:1]
CN(Cc1ccco1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 c1coc(c1)C[*:1] CN([C@H]1CS(=O)(=O)c2ccc(Cl)cc21)[*:1]
CN(Cc1ccco1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 c1coc(c1)[*:1] CN(C[*:1])[C@H]1CS(=O)(=O)c2ccc(Cl)cc21
CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)Nc1nnc(SCC(=O)N[*:1])s1
CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CSc1nnc(NC(=O)N[*:1])s1
CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1 CC(=O)N[*:1] Cc1ccc(cc1)NC(=O)Nc1nnc(SCC(=O)Nc2ccc(cc2)[*:1])s1
COc1cccc(NCc2nc(C(C)(C)C)cs2)c1 CC(C)(C)[*:1] COc1cccc(c1)NCc1nc(cs1)[*:1]
CN(C[C@H](O)C1CC1)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 O[C@H](C1CC1)[*:1] CN(C[*:1])C(=O)NC[C@H]1CCCN(C1)c1ncccn1
CN(C[C@H](O)C1CC1)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CN(C[C@H](O)C1CC1)C(=O)NC[C@H]1CCCN(C1)[*:1]
CN(C[C@H](O)C1CC1)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)NC[C@H]1CCCN(C1)c1ncccn1
COc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1C COc1ccccc1[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NCC(=O)NN=C[*:1]
COc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] COc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc(c1C)[*:1]
COc1ccc(CC2OCCO2)cc1F C1COC(O1)[*:1] COc1ccc(cc1F)C[*:1]
O=C(C[NH2+]C[C@@H]1COc2ccccc2O1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH2+]C[C@@H]1COc2ccccc2O1)N[*:1]
Cc1nc(Nc2cc(C)n(C)n2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nc(ccc1[*:1])Nc1cc(C)n(C)n1
C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(c3nccs3)C(=O)[C@@H]12 c1csc(n1)[*:1] C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(c3nccs3)C(=O)[C@@H]12 c1ccc(cc1)C[*:1] C[C@@H]1N[C@]2(C(=O)N(c3ccccc32)[*:1])[C@@H]2C(=O)N(C(=O)[C@@H]12)c1nccs1
C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(c3nccs3)C(=O)[C@@H]12 c1ccc(cc1)[*:1] C[C@@H]1N[C@]2(C(=O)N(C[*:1])c3ccccc32)[C@@H]2C(=O)N(C(=O)[C@@H]12)c1nccs1
CC(C)CCC[C@@H](C)NC1=[NH+][C@@H](C(C)C)CS1 CC(C)[*:1] CC(C)[C@H]1CSC(N[C@H](C)CCC[*:1])=[NH+]1
CC(C)CCC[C@@H](C)NC1=[NH+][C@@H](C(C)C)CS1 CC(C)CC[*:1] CC(C)[C@H]1CSC(N[C@H](C)C[*:1])=[NH+]1
CC(C)CCC[C@@H](C)NC1=[NH+][C@@H](C(C)C)CS1 CC(C)[*:1] CC(C)CCC[C@@H](C)NC1=[NH+][C@@H](CS1)[*:1]
CC(C)CCC[C@@H](C)NC1=[NH+][C@@H](C(C)C)CS1 CC(C)C[*:1] CC(C)[C@H]1CSC(N[C@H](C)CC[*:1])=[NH+]1
O=C(Cc1ccc(F)cc1)OCC(=O)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(Cc1ccc(F)cc1)OCC(=O)[*:1]
Cc1oc(-c2cccs2)nc1CSc1nncn2c1cc1occc12 c1csc(c1)[*:1] Cc1oc(nc1CSc1nncn2c1cc1occc12)[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)[C@H]1C[C@H]1c1ccco1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])[C@H]1C[C@H]1c1ccco1
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)[C@H]1C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[C@H]1C[C@@H]1[*:1]
C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2ccco2)C1 c1coc(c1)[*:1] C[C@@H]1C[C@H]([NH3+])CN(C1)C(=O)[*:1]
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[*:1]
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC[*:1]
CCN(C)[C@@H](C[NH3+])c1ccc(Br)o1 CCN(C)[*:1] [NH3+]C[C@@H](c1ccc(Br)o1)[*:1]
CC(C)c1ocnc1COc1cccc(C=O)c1 CC(C)[*:1] O=Cc1cccc(c1)OCc1ncoc1[*:1]
CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 CC(C)(C)[*:1] CCC(=O)N[C@H]1CCCN(C1)C(=O)C(=O)Nc1ccnn1[*:1]
CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 CCC(=O)N[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1c(C)cccc1[*:1]
CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]
CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] CNC(=O)[*:1] Cc1cccc(c1S(=O)(=O)N[C@H](CC(C)C)[*:1])[N+](=O)[O-]
CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] CC(C)C[*:1] CNC(=O)[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[*:1]
Cc1nn(C)c(C[C@H]([NH2+]C(C)C)c2ccc(F)cn2)c1Cl Fc1ccc(nc1)[*:1] Cc1nn(C)c(C[C@H]([NH2+]C(C)C)[*:1])c1Cl
Cc1nn(C)c(C[C@H]([NH2+]C(C)C)c2ccc(F)cn2)c1Cl CC(C)[*:1] Cc1nn(C)c(C[C@H]([NH2+][*:1])c2ccc(F)cn2)c1Cl
CN(Cc1[nH]cc[nH+]1)c1nc(-c2cccnc2)nc2c1cnn2C c1cncc(c1)[*:1] CN(Cc1[nH]cc[nH+]1)c1nc(nc2c1cnn2C)[*:1]
O=c1c2c3c(sc2ncn1C[C@H](O)COc1ccc(F)cc1)CCCC3 Fc1ccc(cc1)O[*:1] O=c1c2c3CCCCc3sc2ncn1C[C@H](O)C[*:1]
O=c1c2c3c(sc2ncn1C[C@H](O)COc1ccc(F)cc1)CCCC3 Fc1ccc(cc1)[*:1] O=c1c2c3CCCCc3sc2ncn1C[C@H](O)CO[*:1]
O=C(c1ccn2ccnc2c1)N1CC[C@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(c1ccn2ccnc2c1)N1CC[C@@H](C1)O[*:1]
O=C(c1ccn2ccnc2c1)N1CC[C@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)O[*:1] O=C(c1ccn2ccnc2c1)N1CC[C@H](C1)[*:1]
CCCN(Cc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] N#Cc1ccccc1CN([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1[nH]c(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(C)c1C(=O)OC(C)C CC(C)OC(=O)[*:1] Cc1[nH]c(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(C)c1[*:1]
Cc1[nH]c(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(C)c1C(=O)OC(C)C c1ccc2[nH]c(nc2c1)[*:1] Cc1[nH]c(C(=O)N2CCC[C@@H]2[*:1])c(C)c1C(=O)OC(C)C
Cc1[nH]c(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(C)c1C(=O)OC(C)C CC(C)[*:1] Cc1[nH]c(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(C)c1C(=O)O[*:1]
COC(=O)c1ccc(C)c(NC(=O)c2nc(SC)n3ccccc23)c1 COC(=O)[*:1] CSc1nc(C(=O)Nc2cc(ccc2C)[*:1])c2ccccn12
COCCCNc1ncnc2c1oc1nc3c(cc12)COC(C)(C)C3 COC[*:1] CC1(C)Cc2nc3oc4c(ncnc4c3cc2CO1)NCC[*:1]
COCCCNc1ncnc2c1oc1nc3c(cc12)COC(C)(C)C3 COCCCN[*:1] CC1(C)Cc2nc3oc4c(ncnc4c3cc2CO1)[*:1]
COCCCNc1ncnc2c1oc1nc3c(cc12)COC(C)(C)C3 COCCC[*:1] CC1(C)Cc2nc3oc4c(ncnc4c3cc2CO1)N[*:1]
COCCCNc1ncnc2c1oc1nc3c(cc12)COC(C)(C)C3 COCC[*:1] CC1(C)Cc2nc3oc4c(ncnc4c3cc2CO1)NC[*:1]
N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1[C@@H]1C=NN=C1c1ccccc1 FC(F)(F)[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@H]1[C@@H]1C=NN=C1c1ccccc1)c1cccc(c1)[*:1]
N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1[C@@H]1C=NN=C1c1ccccc1 FC(F)(F)c1cccc(c1)[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@H]1[C@@H]1C=NN=C1c1ccccc1)[*:1]
N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1[C@@H]1C=NN=C1c1ccccc1 c1ccc(cc1)[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@H]1[C@@H]1C=NN=C1[*:1])c1cccc(c1)C(F)(F)F
Cc1nc(N(C)Cc2cccc(OC(F)F)c2)c2cnn(C)c2n1 FC(F)O[*:1] Cc1nc(c2cnn(C)c2n1)N(C)Cc1cccc(c1)[*:1]
Cc1nc(N(C)Cc2cccc(OC(F)F)c2)c2cnn(C)c2n1 FC(F)[*:1] Cc1nc(c2cnn(C)c2n1)N(C)Cc1cccc(c1)O[*:1]
CC(C)N(C(=O)CSc1nc2sccc2c(=O)n1C)C1CCCC1 CC(C)[*:1] Cn1c(nc2sccc2c1=O)SCC(=O)N(C1CCCC1)[*:1]
CC(C)N(C(=O)CSc1nc2sccc2c(=O)n1C)C1CCCC1 C1CCC(C1)[*:1] CC(C)N(C(=O)CSc1nc2sccc2c(=O)n1C)[*:1]
Cc1ccc(NC(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1=O)c1ccccc1)N[*:1]
Cc1ccc(NC(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)N[C@H]1CCN(C1=O)[*:1]
CCCOc1ccc(NC(=O)c2cc(C#N)cs2)cc1Cl CCC[*:1] N#Cc1csc(c1)C(=O)Nc1ccc(O[*:1])c(Cl)c1
CCCOc1ccc(NC(=O)c2cc(C#N)cs2)cc1Cl CCCO[*:1] N#Cc1csc(c1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCOc1ccc(NC(=O)c2cc(C#N)cs2)cc1Cl N#Cc1csc(c1)[*:1] CCCOc1ccc(cc1Cl)NC(=O)[*:1]
CN(C)S(=O)(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 c1ccc(nc1)[*:1] CN(C)S(=O)(=O)N1CCC[C@]2(CCC(=O)N(C2)C[*:1])C1
CN(C)S(=O)(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 c1ccc(C[*:1])nc1 CN(C)S(=O)(=O)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
C[C@@H]1CC(=O)Nc2c1c(NC(=O)Cc1ccc([N+](=O)[O-])cc1)nn2C O=[N+]([O-])[*:1] C[C@@H]1CC(=O)Nc2c1c(nn2C)NC(=O)Cc1ccc(cc1)[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CC[C@@H]1CCCC[NH2+]1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)CC[C@@H]1CCCC[NH2+]1)[*:1]
Cc1cccc(C)c1C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 CN(S(C)(=O)=O)[*:1] Cc1cccc(C)c1C(=O)NCc1ccc(cc1)[*:1]
Cc1cccc(C)c1C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 Cc1cccc(C)c1[*:1] CN(c1ccc(cc1)CNC(=O)[*:1])S(C)(=O)=O
N#Cc1cccc(C(=O)NCc2c(F)cccc2OC(F)F)c1 FC(F)[*:1] N#Cc1cccc(c1)C(=O)NCc1c(F)cccc1O[*:1]
N#Cc1cccc(C(=O)NCc2c(F)cccc2OC(F)F)c1 FC(F)O[*:1] N#Cc1cccc(c1)C(=O)NCc1c(F)cccc1[*:1]
COc1cc(NC(=O)Nc2cnn(Cc3ccccc3)c2)ccc1NC(C)=O c1ccc(cc1)C[*:1] COc1cc(ccc1NC(C)=O)NC(=O)Nc1cnn(c1)[*:1]
COc1cc(NC(=O)Nc2cnn(Cc3ccccc3)c2)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)Nc1cnn(c1)Cc1ccccc1
COc1cc(NC(=O)Nc2cnn(Cc3ccccc3)c2)ccc1NC(C)=O c1ccc(cc1)[*:1] COc1cc(ccc1NC(C)=O)NC(=O)Nc1cnn(c1)C[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccc(Cl)s1 CC(C)[*:1] C[NH+](CC(=O)Nc1ccccc1C(=O)N[*:1])Cc1ccc(Cl)s1
CC(C)NC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC(C)NC(=O)c1ccccc1NC(=O)C[NH+](C)C[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)C[NH+](C)Cc1ccc(Cl)s1 CC(C)NC(=O)[*:1] C[NH+](CC(=O)Nc1ccccc1[*:1])Cc1ccc(Cl)s1
CC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cnn(C)c3)nc21 FC(F)(F)[*:1] CC(C)n1c(=S)[nH]c(=O)c2c(cc(nc21)-c1cnn(C)c1)[*:1]
CC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cnn(C)c3)nc21 CC(C)[*:1] Cn1cc(cn1)-c1cc(c2c(=O)[nH]c(=S)n(c2n1)[*:1])C(F)(F)F
CC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cnn(C)c3)nc21 Cn1cc(cn1)[*:1] CC(C)n1c(=S)[nH]c(=O)c2c(cc(nc21)[*:1])C(F)(F)F
O=C(N[C@H](c1ccccc1)c1ccccn1)N1CCC(CO)CC1 c1ccc(nc1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])N1CCC(CO)CC1
O=C(N[C@H](c1ccccc1)c1ccccn1)N1CCC(CO)CC1 c1ccc(cc1)[*:1] O=C(N[C@H](c1ccccn1)[*:1])N1CCC(CO)CC1
CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CCN(C(C)=O)C1 CC[C@@H](C)C[*:1] CC[C@@H]([NH2+][C@@H]1CCN(C1)C(C)=O)[*:1]
CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CCN(C(C)=O)C1 CC[C@@H](C)[*:1] CC[C@H](C[*:1])[NH2+][C@@H]1CCN(C1)C(C)=O
C=CCN(CC=C)C(=O)N[C@H]1CCCn2c(C)nnc21 C=CC[*:1] C=CCN(C(=O)N[C@H]1CCCn2c(C)nnc21)[*:1]
O=C1c2ccccc2-c2c1cccc2C(=O)N(CCO)CCO OCC[*:1] O=C1c2ccccc2-c2c1cccc2C(=O)N(CCO)[*:1]
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1ccc2nccnc2c1 CC(C)(C)[*:1] C[C@H]1CN(C(=O)O[*:1])[C@H](C)CN1C(=O)c1ccc2nccnc2c1
Cn1cc(CNc2ccc(SC(C)(C)C)cc2)cn1 CC(C)(C)[*:1] Cn1cc(cn1)CNc1ccc(cc1)S[*:1]
Cn1cc(CNc2ccc(SC(C)(C)C)cc2)cn1 Cn1cc(cn1)[*:1] CC(C)(C)Sc1ccc(cc1)NC[*:1]
Cn1cc(CNc2ccc(SC(C)(C)C)cc2)cn1 CC(C)(C)S[*:1] Cn1cc(cn1)CNc1ccc(cc1)[*:1]
CSCC(=O)NNC(=O)CCCc1ccc(Cl)c(Cl)c1 CSC[*:1] O=C(CCCc1ccc(Cl)c(Cl)c1)NNC(=O)[*:1]
COc1ccc(C[S@](=O)[C@@H](C)C(=O)N(C)c2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] COc1ccc(C[S@](=O)[C@@H](C)C(=O)N(C)[*:1])c(Cl)c1
CN(C)c1ncc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)s1 CN(C)c1ncc(s1)[*:1] O=C(c1ccc(Cl)cc1F)N1CCN(CC1)C[*:1]
CN(C)c1ncc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)s1 Fc1cc(Cl)ccc1[*:1] CN(C)c1ncc(CN2CCN(CC2)C(=O)[*:1])s1
CN(C)c1ncc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)s1 CN(C)[*:1] O=C(c1ccc(Cl)cc1F)N1CCN(CC1)Cc1cnc(s1)[*:1]
Cc1nc([C@@H]2CCCN(Cc3nc4ccccc4nc3C)C2)cc(=O)[nH]1 Cc1nc(cc(=O)[nH]1)[*:1] Cc1nc2ccccc2nc1CN1CCC[C@H](C1)[*:1]
C[C@H]1C[C@H](c2cccc(F)c2)N(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 Fc1cccc(c1)[*:1] C[C@H]1C[C@H](N(C1)c1c(C#N)c(=O)n(C)c(=O)n1C)[*:1]
Cc1nsc(N(C)C(=O)[C@@H](C)CCC[C@H](C)[NH3+])c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(c1[*:1])N(C)C(=O)[C@@H](C)CCC[C@H](C)[NH3+]
CC[C@@H](C(N)=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 NC(=O)[*:1] CC[C@@H](N1CCN(CC1)[C@@H](C#N)c1ccccc1)[*:1]
CC[C@@H](C(N)=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@H](C(N)=O)N1CCN(CC1)[C@@H](C#N)[*:1]
CC[C@@H](C(N)=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 CC[C@@H](C(N)=O)[*:1] N#C[C@@H](c1ccccc1)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)N[C@H](CO)c2ccco2)cc1Oc1ccncc1 c1cc(ccn1)O[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@H](CO)c1ccco1
Cc1ccc(C(=O)N[C@H](CO)c2ccco2)cc1Oc1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1O[*:1])C(=O)N[C@H](CO)c1ccco1
Cc1ccc(C(=O)N[C@H](CO)c2ccco2)cc1Oc1ccncc1 c1coc(c1)[*:1] Cc1ccc(cc1Oc1ccncc1)C(=O)N[C@H](CO)[*:1]
c1cc(-c2nn3c(-c4ccncc4)nnc3s2)c2nnnn2c1 c1cc(ccn1)[*:1] c1cc(-c2nn3c(nnc3s2)[*:1])c2nnnn2c1
CCNc1cccc(CO[C@@H](C)COC)n1 CCN[*:1] COC[C@H](C)OCc1cccc(n1)[*:1]
CCNc1cccc(CO[C@@H](C)COC)n1 COC[*:1] CCNc1cccc(CO[C@@H](C)[*:1])n1
CCNc1cccc(CO[C@@H](C)COC)n1 COC[C@H](C)[*:1] CCNc1cccc(CO[*:1])n1
CN(C)C(/C=C/Nc1ccc(S(=O)(=O)N(C)C)cc1)=C(C#N)C#N CN(C)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)N/C=C/C(=C(C#N)C#N)[*:1]
CN(C)C(/C=C/Nc1ccc(S(=O)(=O)N(C)C)cc1)=C(C#N)C#N CN(C)S(=O)(=O)[*:1] CN(C)C(/C=C/Nc1ccc(cc1)[*:1])=C(C#N)C#N
COc1ccnc(NC(=O)[C@@H](C)c2ccc(Br)s2)c1 Brc1ccc(s1)[*:1] COc1ccnc(c1)NC(=O)[C@@H](C)[*:1]
O=c1[nH]cccc1-c1nc(-c2cnccn2)no1 c1cnc(cn1)[*:1] O=c1[nH]cccc1-c1nc(no1)[*:1]
Cc1cc(Oc2ccc([N+](=O)[O-])cc2C#N)ccc1Cl O=[N+]([O-])[*:1] Cc1cc(ccc1Cl)Oc1ccc(cc1C#N)[*:1]
Cc1noc(C)c1C[NH+](C)Cn1nc(-c2ccccc2)n(C)c1=S c1ccc(cc1)[*:1] Cc1noc(C)c1C[NH+](C)Cn1nc(n(C)c1=S)[*:1]
Cc1noc(C)c1C[NH+](C)Cn1nc(-c2ccccc2)n(C)c1=S Cc1noc(C)c1[*:1] Cn1c(nn(C[NH+](C)C[*:1])c1=S)-c1ccccc1
Cc1noc(C)c1C[NH+](C)Cn1nc(-c2ccccc2)n(C)c1=S Cc1noc(C)c1C[*:1] Cn1c(nn(C[NH+](C)[*:1])c1=S)-c1ccccc1
Cc1cc(Oc2ncccn2)ccc1NC(=O)N(C)Cc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)N(C)C[*:1])Oc1ncccn1
Cc1cc(Oc2ncccn2)ccc1NC(=O)N(C)Cc1cccc(C#N)c1 c1cnc(nc1)O[*:1] Cc1cc(ccc1NC(=O)N(C)Cc1cccc(C#N)c1)[*:1]
Cc1cc(Oc2ncccn2)ccc1NC(=O)N(C)Cc1cccc(C#N)c1 c1cnc(nc1)[*:1] Cc1cc(ccc1NC(=O)N(C)Cc1cccc(C#N)c1)O[*:1]
Cc1cc(Oc2ncccn2)ccc1NC(=O)N(C)Cc1cccc(C#N)c1 N#Cc1cccc(c1)C[*:1] Cc1cc(ccc1NC(=O)N(C)[*:1])Oc1ncccn1
COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccccc1SC
COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C(=O)N1CCOCC1 CSc1ccccc1[*:1] COc1ccc(cc1C(=O)N1CCOCC1)S(=O)(=O)N[*:1]
O=C1CC[NH2+]C[C@@H]1CC1CC1 C1CC1[*:1] O=C1CC[NH2+]C[C@@H]1C[*:1]
Cc1cc(-c2nnn(CCNC(=O)OCC(F)(F)F)n2)ccc1F Cc1cc(ccc1F)[*:1] O=C(NCCn1nnc(n1)[*:1])OCC(F)(F)F
Cc1cc(-c2nnn(CCNC(=O)OCC(F)(F)F)n2)ccc1F FC(F)(F)C[*:1] Cc1cc(ccc1F)-c1nnn(CCNC(=O)O[*:1])n1
Cc1cc(-c2nnn(CCNC(=O)OCC(F)(F)F)n2)ccc1F FC(F)(F)[*:1] Cc1cc(ccc1F)-c1nnn(CCNC(=O)OC[*:1])n1
Cc1cccc(NC(=O)N(Cc2ccccn2)Cc2ccco2)c1 c1ccc(C[*:1])nc1 Cc1cccc(c1)NC(=O)N(Cc1ccco1)[*:1]
Cc1cccc(NC(=O)N(Cc2ccccn2)Cc2ccco2)c1 c1coc(c1)C[*:1] Cc1cccc(c1)NC(=O)N(Cc1ccccn1)[*:1]
Cc1cccc(NC(=O)N(Cc2ccccn2)Cc2ccco2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])N(Cc1ccccn1)Cc1ccco1
Cc1cccc(NC(=O)N(Cc2ccccn2)Cc2ccco2)c1 c1coc(c1)[*:1] Cc1cccc(c1)NC(=O)N(Cc1ccccn1)C[*:1]
Cc1cccc(NC(=O)N(Cc2ccccn2)Cc2ccco2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)NC(=O)N(Cc1ccco1)C[*:1]
C[C@H](NC(=O)Nc1ccc(COc2ccccc2)cc1)C1CCOCC1 c1ccc(cc1)O[*:1] C[C@H](NC(=O)Nc1ccc(cc1)C[*:1])C1CCOCC1
C[C@H](NC(=O)Nc1ccc(COc2ccccc2)cc1)C1CCOCC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)CO[*:1])C1CCOCC1
C[C@H](NC(=O)Nc1ccc(COc2ccccc2)cc1)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)COc1ccccc1)[*:1]
C[C@H](NC(=O)Nc1ccc(COc2ccccc2)cc1)C1CCOCC1 c1ccc(cc1)OC[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])C1CCOCC1
COc1cc(/C=N/NC(N)=O)ccc1OCc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] COc1cc(/C=N/NC(N)=O)ccc1OCc1cccc(c1)[*:1]
COc1cc(/C=N/NC(N)=O)ccc1OCc1cccc(C(=O)[O-])c1 NC(=O)NN=C[*:1] COc1cc(ccc1OCc1cccc(c1)C(=O)[O-])[*:1]
Cc1ncsc1C(=O)N1CCc2c(cccc2N2CCOC2=O)C1 O=C1OCCN1[*:1] Cc1ncsc1C(=O)N1CCc2c(cccc2[*:1])C1
Cc1ncsc1C(=O)N1CCc2c(cccc2N2CCOC2=O)C1 Cc1ncsc1[*:1] O=C1OCCN1c1cccc2CN(CCc21)C(=O)[*:1]
Cc1ccsc1CNC(=O)C1C[C@@H](C)O[C@H](C)C1 Cc1ccsc1[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NC[*:1]
CC(=O)[C@H](C)SCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 CC(=O)[*:1] C[C@H](SCC(=O)N(C)c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(=O)[C@H](C)SCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)[C@H](C)SCC(=O)N(C)c1ccc(cc1)[*:1]
CC(=O)[C@H](C)SCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 CC(=O)[C@H](C)[*:1] CN(C(=O)CS[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@H](N[C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1nccs1 c1csc(n1)[*:1] C[C@H](N[C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[*:1]
CCCOC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 CCC[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)O[*:1])CN1CCc1c[nH]c[nH+]1
C[C@H]1C[C@@H](NC(=O)NCCN2CCOCC2)CN1c1ccccc1 C1CN(CCO1)CC[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)N[*:1]
C[C@H]1C[C@@H](NC(=O)NCCN2CCOCC2)CN1c1ccccc1 C1CN(CCO1)[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)NCC[*:1]
C[C@H]1C[C@@H](NC(=O)NCCN2CCOCC2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1[*:1])NC(=O)NCCN1CCOCC1
C[C@H]1C[C@@H](NC(=O)NCCN2CCOCC2)CN1c1ccccc1 C1CN(CCO1)C[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)NC[*:1]
CCC[C@@H]1NC(=O)[C@@](C)(CC)N(C(CC)CC)C1=O CCC(CC)[*:1] CCC[C@@H]1NC(=O)[C@@](C)(CC)N(C1=O)[*:1]
CCC[C@@H]1NC(=O)[C@@](C)(CC)N(C(CC)CC)C1=O CCC[*:1] CCC(CC)N1C(=O)[C@@H](NC(=O)[C@@]1(C)CC)[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 FC(F)(F)[*:1] N#Cc1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)Cn1c(nc2ccccc21)[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 N#Cc1ccccc1[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)N1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)c1csc(NC(=O)CCc2c[nH]c3ccccc23)n1 CCOC(=O)[*:1] O=C(CCc1c[nH]c2ccccc12)Nc1nc(cs1)[*:1]
O=C(NCC1CCCCC1)C1CCN(C(=O)c2cccc3nscc23)CC1 c1cc(c2csnc2c1)[*:1] O=C(NCC1CCCCC1)C1CCN(CC1)C(=O)[*:1]
O=C(NCC1CCCCC1)C1CCN(C(=O)c2cccc3nscc23)CC1 C1CCC(CC1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1cccc2nscc12
O=C(NCC1CCCCC1)C1CCN(C(=O)c2cccc3nscc23)CC1 C1CCC(CC1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccc2nscc12
Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1c1nc(no1)[*:1]
Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1 Cc1nn(C)c(C)c1[*:1] O=C(CC[*:1])N1CCC[C@H]1c1nc(no1)-c1ccccc1
Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1 Cc1nn(C)c(C)c1C[*:1] O=C(C[*:1])N1CCC[C@H]1c1nc(no1)-c1ccccc1
Cc1cc(CN(C)C(=O)CCC(=O)c2ccc(C)c(C)c2)no1 Cc1cc(C[*:1])no1 Cc1ccc(cc1C)C(=O)CCC(=O)N(C)[*:1]
Cc1cc(CN(C)C(=O)CCC(=O)c2ccc(C)c(C)c2)no1 Cc1cc(no1)[*:1] Cc1ccc(cc1C)C(=O)CCC(=O)N(C)C[*:1]
C=CCC[C@H](C)OC(=O)/C=C/c1cncc(C)c1 C=CCC[*:1] Cc1cncc(/C=C/C(=O)O[C@@H](C)[*:1])c1
C=CCC[C@H](C)OC(=O)/C=C/c1cncc(C)c1 C=CC[*:1] Cc1cncc(/C=C/C(=O)O[C@@H](C)C[*:1])c1
C=CCC[C@H](C)OC(=O)/C=C/c1cncc(C)c1 C=CCC[C@H](C)[*:1] Cc1cncc(/C=C/C(=O)O[*:1])c1
CCOc1ccccc1-c1nc(-c2cn(-c3cccc(F)c3)nn2)no1 Fc1cccc(c1)[*:1] CCOc1ccccc1-c1nc(no1)-c1cn(nn1)[*:1]
CCOc1ccccc1-c1nc(-c2cn(-c3cccc(F)c3)nn2)no1 CCO[*:1] Fc1cccc(c1)-n1cc(nn1)-c1noc(n1)-c1ccccc1[*:1]
OCc1ccccc1-c1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] OCc1ccccc1-c1cccc(c1)OC[*:1]
OCc1ccccc1-c1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] OCc1ccccc1-c1cccc(c1)O[*:1]
CC(C)[C@@H](CO)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 CC(C)[*:1] O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 Clc1cccc(c1)[*:1] CC(C)[C@@H](CO)NC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CC(C)[C@@H](CO)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 CC(C)[C@@H](CO)[*:1] O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N[*:1]
N#Cc1ccc(NC(=O)C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 FC(F)(F)C[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)NCc1cccc(c1)O[*:1]
N#Cc1ccc(NC(=O)C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 FC(F)(F)CO[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)NCc1cccc(c1)[*:1]
N#Cc1ccc(NC(=O)C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)NCc1cccc(c1)OC[*:1]
N#Cc1ccc(NC(=O)C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCc1cccc(c1)OCC(F)(F)F)C(=O)N[*:1]
COc1ccc(-c2noc(-c3cccc(OCC(=O)N4CCCC4)c3)n2)cc1 COc1ccc(cc1)[*:1] O=C(COc1cccc(c1)-c1nc(no1)[*:1])N1CCCC1
COc1ccc(-c2noc(-c3cccc(OCC(=O)N4CCCC4)c3)n2)cc1 O=C(C[*:1])N1CCCC1 COc1ccc(cc1)-c1noc(n1)-c1cccc(c1)O[*:1]
COc1ccc(-c2noc(-c3cccc(OCC(=O)N4CCCC4)c3)n2)cc1 O=C(CO[*:1])N1CCCC1 COc1ccc(cc1)-c1noc(n1)-c1cccc(c1)[*:1]
COc1ccc(-c2noc(-c3cccc(OCC(=O)N4CCCC4)c3)n2)cc1 O=C(N1CCCC1)[*:1] COc1ccc(cc1)-c1noc(n1)-c1cccc(c1)OC[*:1]
CCCc1cc(OCC(=O)[O-])nc(Nc2cccc(Cl)c2Cl)n1 O=C([O-])C[*:1] CCCc1cc(nc(n1)Nc1cccc(Cl)c1Cl)O[*:1]
CCCc1cc(OCC(=O)[O-])nc(Nc2cccc(Cl)c2Cl)n1 O=C([O-])[*:1] CCCc1cc(nc(n1)Nc1cccc(Cl)c1Cl)OC[*:1]
CCCc1cc(OCC(=O)[O-])nc(Nc2cccc(Cl)c2Cl)n1 CCC[*:1] O=C([O-])COc1cc(nc(n1)Nc1cccc(Cl)c1Cl)[*:1]
CCCc1cc(OCC(=O)[O-])nc(Nc2cccc(Cl)c2Cl)n1 O=C([O-])CO[*:1] CCCc1cc(nc(n1)Nc1cccc(Cl)c1Cl)[*:1]
CCCOc1ccccc1NC(=O)N1CCN(c2cccc(OC)c2)CC1 CCCO[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccccc1[*:1]
CCCOc1ccccc1NC(=O)N1CCN(c2cccc(OC)c2)CC1 COc1cccc(c1)[*:1] CCCOc1ccccc1NC(=O)N1CCN(CC1)[*:1]
CCCOc1ccccc1NC(=O)N1CCN(c2cccc(OC)c2)CC1 CCC[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccccc1O[*:1]
COc1cccc(CO[C@H](C)C(=O)N2CCN(c3ccc(O)cc3)CC2)c1 COc1cccc(c1)[*:1] C[C@@H](OC[*:1])C(=O)N1CCN(CC1)c1ccc(O)cc1
COc1cccc(CO[C@H](C)C(=O)N2CCN(c3ccc(O)cc3)CC2)c1 Oc1ccc(cc1)[*:1] COc1cccc(c1)CO[C@H](C)C(=O)N1CCN(CC1)[*:1]
COc1cccc(CO[C@H](C)C(=O)N2CCN(c3ccc(O)cc3)CC2)c1 COc1cccc(c1)C[*:1] C[C@@H](O[*:1])C(=O)N1CCN(CC1)c1ccc(O)cc1
CC(C)[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1Cc1cscn1 c1nc(cs1)C[*:1] CC(C)[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1[*:1]
CC(C)[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1Cc1cscn1 CC(C)[*:1] O=C1[C@H](N(Cc2cscn2)C(=O)[C@@H]2CCCCN12)[*:1]
CC(C)[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1Cc1cscn1 c1nc(cs1)[*:1] CC(C)[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1C[*:1]
COc1ccc(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)nn1 COc1ccc(nn1)[*:1] Cc1nc(NC(=O)[*:1])sc1Cc1ccccc1F
COc1ccc(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)nn1 Fc1ccccc1[*:1] COc1ccc(nn1)C(=O)Nc1nc(C)c(C[*:1])s1
COc1ccc(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)nn1 Fc1ccccc1C[*:1] COc1ccc(nn1)C(=O)Nc1nc(C)c(s1)[*:1]
CCC(CC)N(CCOC)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] CCC(CC)N(CCOC)C(=O)N1CC[C@H]([C@@H]1C)[*:1]
CCC(CC)N(CCOC)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C COC[*:1] CCC(CC)N(C[*:1])C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C
CCC(CC)N(CCOC)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C CCC(CC)[*:1] COCCN(C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)[*:1]
CCC(CC)N(CCOC)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C COCC[*:1] CCC(CC)N(C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)[*:1]
Cc1cnc(-c2cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]3CCCC3)c2)o1 CC(C)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1cnc(-c2cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]3CCCC3)c2)o1 Cc1cnc(o1)[*:1] CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(c1)[*:1])[NH+]1CCCC1
COCCN1C(=O)C[C@@](CC(=O)N2C[C@H](C)O[C@H](C)C2)(c2ccccc2OC)C1=O COc1ccccc1[*:1] COCCN1C(=O)C[C@@](CC(=O)N2C[C@H](C)O[C@H](C)C2)(C1=O)[*:1]
COCCN1C(=O)C[C@@](CC(=O)N2C[C@H](C)O[C@H](C)C2)(c2ccccc2OC)C1=O COC[*:1] COc1ccccc1[C@]1(CC(=O)N2C[C@H](C)O[C@H](C)C2)CC(=O)N(C[*:1])C1=O
COCCN1C(=O)C[C@@](CC(=O)N2C[C@H](C)O[C@H](C)C2)(c2ccccc2OC)C1=O COCC[*:1] COc1ccccc1[C@]1(CC(=O)N2C[C@H](C)O[C@H](C)C2)CC(=O)N(C1=O)[*:1]
O=C([O-])[C@H](c1c[nH]c2cc(F)ccc12)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C([O-])[C@H](c1c[nH]c2cc(F)ccc12)[NH+]1CCN(CC1)C[*:1]
O=C([O-])[C@H](c1c[nH]c2cc(F)ccc12)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] O=C([O-])[C@H](c1c[nH]c2cc(F)ccc12)[NH+]1CCN(CC1)[*:1]
O=C(COC(=O)COc1ccccc1F)Nc1ccc2c(c1)OCO2 Fc1ccccc1O[*:1] O=C(COC(=O)C[*:1])Nc1ccc2OCOc2c1
O=C(COC(=O)COc1ccccc1F)Nc1ccc2c(c1)OCO2 Fc1ccccc1[*:1] O=C(COC(=O)CO[*:1])Nc1ccc2OCOc2c1
CCn1nc(C)cc1C(=O)Nc1nc2c(s1)-c1cccc3cccc-2c13 CCn1nc(C)cc1[*:1] O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)[*:1]
Cc1cccc(-c2noc(-c3sc4ncn(CC(=O)Nc5ccccc5)c(=O)c4c3C)n2)c1 O=C(Nc1ccccc1)[*:1] Cc1cccc(c1)-c1noc(n1)-c1sc2ncn(C[*:1])c(=O)c2c1C
Cc1cccc(-c2noc(-c3sc4ncn(CC(=O)Nc5ccccc5)c(=O)c4c3C)n2)c1 O=C(C[*:1])Nc1ccccc1 Cc1cccc(c1)-c1noc(n1)-c1sc2ncn(c(=O)c2c1C)[*:1]
Cc1cccc(-c2noc(-c3sc4ncn(CC(=O)Nc5ccccc5)c(=O)c4c3C)n2)c1 Cc1cccc(c1)[*:1] Cc1c(sc2ncn(CC(=O)Nc3ccccc3)c(=O)c12)-c1nc(no1)[*:1]
Cc1cccc(-c2noc(-c3sc4ncn(CC(=O)Nc5ccccc5)c(=O)c4c3C)n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1noc(n1)-c1sc2ncn(CC(=O)N[*:1])c(=O)c2c1C
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2Cl)cc1 C1CO[C@H](C1)C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccccc1Cl)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2Cl)cc1 C1CO[C@H](C1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccccc1Cl
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccccc2Cl)N1C[C@H]1CCCO1
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2Cl)cc1 COc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccccc2Cl)N1C[C@H]1CCCO1)[*:1]
O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1Br)N1CCCC1 Brc1ccccc1[*:1] O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1])N1CCCC1
O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1Br)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(c1ccccc1Br)N1Cc2ccccc2C[C@H]1[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)Cn1c(C)c(C)sc1=O Cc1sc(=O)n(c1C)[*:1] Cc1cn(nc1NC(=O)C[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)Cn1c(C)c(C)sc1=O Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)Cn1c(C)c(C)sc1=O)[*:1]
Cn1c(=O)c2cc(NC(=O)c3ccc(F)cc3F)cnc2n(C)c1=O Fc1ccc(c(F)c1)[*:1] Cn1c(=O)c2cc(cnc2n(C)c1=O)NC(=O)[*:1]
COCCN(C(=O)C(=O)NC[C@H](C)C#N)c1nc2ccccc2s1 COC[*:1] C[C@H](C#N)CNC(=O)C(=O)N(C[*:1])c1nc2ccccc2s1
COCCN(C(=O)C(=O)NC[C@H](C)C#N)c1nc2ccccc2s1 COCC[*:1] C[C@H](C#N)CNC(=O)C(=O)N(c1nc2ccccc2s1)[*:1]
O=C(NCCc1ccn(-c2ccccc2)n1)C1=NCC(Br)=C1 c1ccc(cc1)[*:1] O=C(NCCc1ccn(n1)[*:1])C1C=C(Br)CN=1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2cccc2[C@H]1C CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])C(=O)N1CCn2cccc2[C@H]1C
N#Cc1ccsc1NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 c1ccc(cc1)[*:1] N#Cc1ccsc1NC(=O)CSc1nc2nn(c(=O)c-2c2CCCCCn12)[*:1]
N#Cc1ccsc1NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 N#Cc1ccsc1[*:1] O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2CCCCCn12)N[*:1]
N#Cc1ccsc1NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 N#Cc1ccsc1NC(=O)C[*:1] O=c1c2-c(nc(S[*:1])n3CCCCCc23)nn1-c1ccccc1
N#Cc1ccsc1NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 N#Cc1ccsc1NC(=O)[*:1] O=c1c2-c(nc(SC[*:1])n3CCCCCc23)nn1-c1ccccc1
CCCNC(=O)C[C@H](C#N)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCCNC(=O)C[C@H](C#N)NC[*:1]
CCCNC(=O)C[C@H](C#N)NC[C@@H]1CCCO1 CCC[*:1] N#C[C@@H](CC(=O)N[*:1])NC[C@@H]1CCCO1
O=C([O-])c1ccc(Cn2c(-c3ccccc3)cccc2=O)cc1 O=C([O-])[*:1] O=c1cccc(-c2ccccc2)n1Cc1ccc(cc1)[*:1]
O=C([O-])c1ccc(Cn2c(-c3ccccc3)cccc2=O)cc1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)Cn1c(cccc1=O)[*:1]
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCCc1ccc[nH]1 c1c[nH]c(c1)CC[*:1] O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N[*:1]
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCCc1ccc[nH]1 c1c[nH]c(c1)C[*:1] O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NC[*:1]
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCCc1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCC[*:1]
COC(=O)c1sc2[nH]c(/C(Cl)=C/c3ccccc3)nc(=O)c2c1C c1ccc(cc1)[*:1] COC(=O)c1sc2[nH]c(nc(=O)c2c1C)C(Cl)=C[*:1]
COC(=O)c1sc2[nH]c(/C(Cl)=C/c3ccccc3)nc(=O)c2c1C COC(=O)[*:1] Cc1c(sc2[nH]c(nc(=O)c12)/C(Cl)=C/c1ccccc1)[*:1]
O=C(Oc1ccccc1OCC(F)(F)F)[C@H]1CCCO1 FC(F)(F)[*:1] O=C(Oc1ccccc1OC[*:1])[C@H]1CCCO1
O=C(Oc1ccccc1OCC(F)(F)F)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(Oc1ccccc1OCC(F)(F)F)[*:1]
O=C(Oc1ccccc1OCC(F)(F)F)[C@H]1CCCO1 FC(F)(F)C[*:1] O=C(Oc1ccccc1O[*:1])[C@H]1CCCO1
O=C(Oc1ccccc1OCC(F)(F)F)[C@H]1CCCO1 FC(F)(F)CO[*:1] O=C(Oc1ccccc1[*:1])[C@H]1CCCO1
C[C@H]1CCCN(C(=O)N2CCC[C@H]2[C@@H]2CCCC[C@@H]2O)C1 O[C@H]1CCCC[C@H]1[*:1] C[C@H]1CCCN(C1)C(=O)N1CCC[C@@H]1[*:1]
Cc1cc(C)c2c(=O)n(CC(=O)NCCC(C)C)c(=O)n(-c3ccccc3)c2n1 CC(C)CCNC(=O)C[*:1] Cc1cc(C)c2c(=O)n(c(=O)n(-c3ccccc3)c2n1)[*:1]
Cc1cc(C)c2c(=O)n(CC(=O)NCCC(C)C)c(=O)n(-c3ccccc3)c2n1 CC(C)[*:1] Cc1cc(C)c2c(=O)n(CC(=O)NCC[*:1])c(=O)n(-c3ccccc3)c2n1
Cc1cc(C)c2c(=O)n(CC(=O)NCCC(C)C)c(=O)n(-c3ccccc3)c2n1 CC(C)C[*:1] Cc1cc(C)c2c(=O)n(CC(=O)NC[*:1])c(=O)n(-c3ccccc3)c2n1
Cc1cc(C)c2c(=O)n(CC(=O)NCCC(C)C)c(=O)n(-c3ccccc3)c2n1 CC(C)CC[*:1] Cc1cc(C)c2c(=O)n(CC(=O)N[*:1])c(=O)n(-c3ccccc3)c2n1
Cc1cc(C)c2c(=O)n(CC(=O)NCCC(C)C)c(=O)n(-c3ccccc3)c2n1 CC(C)CCNC(=O)[*:1] Cc1cc(C)c2c(=O)n(C[*:1])c(=O)n(-c3ccccc3)c2n1
Cc1cc(C)c2c(=O)n(CC(=O)NCCC(C)C)c(=O)n(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1cc(C)c2c(=O)n(CC(=O)NCCC(C)C)c(=O)n(c2n1)[*:1]
O[C@@H](Cn1cnc2ccccc21)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O[C@@H](Cn1cnc2ccccc21)c1ccc(cc1)[*:1]
C#Cc1cccc(NC(=O)N[C@H](CC)CCO)c1 CC[C@H](CCO)[*:1] C#Cc1cccc(c1)NC(=O)N[*:1]
C#Cc1cccc(NC(=O)N[C@H](CC)CCO)c1 OCC[*:1] C#Cc1cccc(c1)NC(=O)N[C@H](CC)[*:1]
CC(C)C[C@H]1[C@@H]2N=C3C=CC=C[C@H]3[C@@H]2CCN1Cc1[nH]cc[nH+]1 CC(C)C[*:1] C1C=C[C@@H]2C(C=1)=N[C@@H]1[C@H]2CCN(Cc2[nH]cc[nH+]2)[C@H]1[*:1]
CC(C)C[C@H]1[C@@H]2N=C3C=CC=C[C@H]3[C@@H]2CCN1Cc1[nH]cc[nH+]1 CC(C)[*:1] C1C=C[C@@H]2C(C=1)=N[C@@H]1[C@H]2CCN(Cc2[nH]cc[nH+]2)[C@H]1C[*:1]
COCc1ccc2c(CBr)cc(=O)oc2c1 COC[*:1] O=c1cc(CBr)c2ccc(cc2o1)[*:1]
Cc1cncc(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1 Fc1cccc(F)c1[*:1] Cc1cncc(c1)C(=O)N(C[*:1])C1CCCC1
Cc1cncc(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1 Cc1cncc(c1)[*:1] O=C(N(Cc1c(F)cccc1F)C1CCCC1)[*:1]
Cc1cncc(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1 C1CCC(C1)[*:1] Cc1cncc(c1)C(=O)N(Cc1c(F)cccc1F)[*:1]
CN(Cc1nc2ccccc2n1C)C(=O)Cc1cn2ccsc2n1 c1cn2cc(nc2s1)[*:1] CN(Cc1nc2ccccc2n1C)C(=O)C[*:1]
C[C@H](NC(=O)NCc1cccc(F)c1)c1cccc(-n2cccn2)c1 Fc1cccc(c1)[*:1] C[C@H](NC(=O)NC[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)NCc1cccc(F)c1)c1cccc(-n2cccn2)c1 Fc1cccc(c1)C[*:1] C[C@H](NC(=O)N[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)NCc1cccc(F)c1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)NCc1cccc(F)c1)c1cccc(c1)[*:1]
Fc1cc(CN2CCO[C@@H](c3nccs3)C2)ccc1Cl c1csc(n1)[*:1] Fc1cc(ccc1Cl)CN1CCO[C@@H](C1)[*:1]
Cc1ccc(Cc2nnc(NC(=O)c3ccc(C#N)cc3)o2)cc1C Cc1ccc(cc1C)[*:1] N#Cc1ccc(cc1)C(=O)Nc1nnc(C[*:1])o1
Cc1ccc(Cc2nnc(NC(=O)c3ccc(C#N)cc3)o2)cc1C N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)Cc1nnc(NC(=O)[*:1])o1
O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1cc(ccc1Cl)[*:1]
O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1cc([N+](=O)[O-])ccc1Cl FC(F)(F)[*:1] O=C(C[C@H](c1ccccc1)[*:1])NCc1cc(ccc1Cl)[N+](=O)[O-]
O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1cc([N+](=O)[O-])ccc1Cl c1ccc(cc1)[*:1] O=C(C[C@H](C(F)(F)F)[*:1])NCc1cc(ccc1Cl)[N+](=O)[O-]
CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)Oc3ccccc32)C1 c1ccc(cc1)[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@H]1C[C@H](Oc2ccccc21)[*:1]
O=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1ccc2ccccc2c1 c1coc(c1)[*:1] O=S(=O)(NCCOc1ccc(nn1)[*:1])c1ccc2ccccc2c1
O=C(NC[C@@H]1CCC[C@@H]1O)C(=O)Nc1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)C(=O)Nc1cc(ccc1F)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cc(C#N)cs1 CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])[C@H]1CCCCN1C(=O)c1cc(C#N)cs1
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cc(C#N)cs1 N#Cc1csc(c1)[*:1] C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)c1cc(C#N)cs1 CC(C)(C)OC(=O)N[*:1] C[C@@H]([C@H]1CCCCN1C(=O)c1cc(C#N)cs1)[*:1]
O=C(C[NH+]1CCCCC1)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(C[NH+]1CCCCC1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1[*:1]
CC(C)[NH+](C)Cc1cnc(N)s1 CC(C)[*:1] C[NH+](Cc1cnc(N)s1)[*:1]
Cc1ccc(C)c(-c2nc(CS[C@@H]3N=C4C(=O)N=CN=C4N3C)c(C)o2)c1 Cc1ccc(C)c(c1)[*:1] Cc1oc(nc1CS[C@@H]1N=C2C(=O)N=CN=C2N1C)[*:1]
CCOc1ccc(NC(=O)C2CCN(C(=O)Nc3cccs3)CC2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)C(=O)Nc1cccs1
CCOc1ccc(NC(=O)C2CCN(C(=O)Nc3cccs3)CC2)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)N[*:1]
CC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2Br)C1 CC(=O)N[*:1] Fc1cccc(Br)c1CN1CCC[C@H](C1)[*:1]
CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)OC2=NC=NC(=O)[C@H]21 CC(C)O[*:1] N#CC1=C(N)OC2=NC=NC(=O)[C@H]2[C@H]1c1ccccc1[*:1]
CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)OC2=NC=NC(=O)[C@H]21 CC(C)[*:1] N#CC1=C(N)OC2=NC=NC(=O)[C@H]2[C@H]1c1ccccc1O[*:1]
CN(C[C@H]1CCCN1C(=O)c1csnn1)C(=O)OC(C)(C)C c1snnc1[*:1] CN(C[C@H]1CCCN1C(=O)[*:1])C(=O)OC(C)(C)C
CN(C[C@H]1CCCN1C(=O)c1csnn1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(C[C@H]1CCCN1C(=O)c1csnn1)C(=O)O[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)[C@H](C#N)c1nnc2n1CCCCC2 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)[C@H](C#N)c1nnc2CCCCCn21)[*:1]
CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C)c4)CC3)c2c1 CCO[*:1] Cc1cccc(c1)NC(=O)C1CCN(CC1)c1c(C#N)cnc2ccc(cc12)[*:1]
CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C)c4)CC3)c2c1 Cc1cccc(c1)NC(=O)[*:1] CCOc1ccc2ncc(C#N)c(c2c1)N1CCC(CC1)[*:1]
CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C)c4)CC3)c2c1 Cc1cccc(c1)[*:1] CCOc1ccc2ncc(C#N)c(c2c1)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)cc1 Cc1ccc(cc1)[*:1] O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(cc1)O[*:1]
Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)cc1 Cc1ccc(cc1)O[*:1] O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(cc1)[*:1]
Cc1ccccc1SCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccccc1SCc1ccc(cc1)[*:1]
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O FC(F)O[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O)c1ccc(cc1)[*:1]
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O O[C@@H](c1cccc(F)c1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(cc1)OC(F)F
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O FC(F)[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O)c1ccc(cc1)O[*:1]
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(C[C@@H](O)c2cccc(F)c2)C1=O Fc1cccc(c1)[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)[*:1])C1=O)c1ccc(cc1)OC(F)F
CC1(C)CSC[C@](CO)([NH2+]C2CCCC2)C1 C1CCC(C1)[*:1] CC1(C)CSC[C@@](CO)(C1)[NH2+][*:1]
Cc1cc(C)c(C(=O)[O-])c(N[C@@H](CO)C(C)C)[nH+]1 O=C([O-])[*:1] Cc1cc(C)c(c(N[C@@H](CO)C(C)C)[nH+]1)[*:1]
Cc1cc(C)c(C(=O)[O-])c(N[C@@H](CO)C(C)C)[nH+]1 CC(C)[C@H](CO)[*:1] Cc1cc(C)c(C(=O)[O-])c(N[*:1])[nH+]1
Cc1cc(C)c(C(=O)[O-])c(N[C@@H](CO)C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(C)c(C(=O)[O-])c(N[C@@H](CO)[*:1])[nH+]1
CC(C)CCN(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 CC(C)[*:1] CN(CC[*:1])C(=O)CCc1ncc(o1)-c1ccc(F)cc1
CC(C)CCN(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] CC(C)CCN(C)C(=O)CCc1ncc(o1)[*:1]
CC(C)CCN(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 CC(C)CC[*:1] CN(C(=O)CCc1ncc(o1)-c1ccc(F)cc1)[*:1]
CC(C)CCN(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 CC(C)C[*:1] CN(C[*:1])C(=O)CCc1ncc(o1)-c1ccc(F)cc1
CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1cccc(C)c1C)S2 Cc1cccc(c1C)[*:1] CCc1nnc2S[C@@H](C(=O)N[*:1])[C@H](Nn12)c1ccc(OC)c(Cl)c1
CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1cccc(C)c1C)S2 COc1ccc(cc1Cl)[*:1] CCc1nnc2S[C@@H](C(=O)Nc3cccc(C)c3C)[C@@H](Nn12)[*:1]
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)[O-])n1-c1ccccc1 COc1ccccc1[*:1] C[C@H](Sc1nnc(n1-c1ccccc1)[*:1])C(=O)[O-]
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)[O-])n1-c1ccccc1 O=C([O-])[*:1] COc1ccccc1-c1nnc(S[C@@H](C)[*:1])n1-c1ccccc1
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)[O-])n1-c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1-c1nnc(S[C@@H](C)C(=O)[O-])n1[*:1]
CS(=O)(=O)CCN1CCN(c2[nH]c3ccccc3[nH+]2)CC1 CS(=O)(=O)[*:1] c1ccc2[nH+]c([nH]c2c1)N1CCN(CC1)CC[*:1]
CS(=O)(=O)CCN1CCN(c2[nH]c3ccccc3[nH+]2)CC1 CS(=O)(=O)CC[*:1] c1ccc2[nH+]c([nH]c2c1)N1CCN(CC1)[*:1]
CS(=O)(=O)CCN1CCN(c2[nH]c3ccccc3[nH+]2)CC1 CS(=O)(=O)C[*:1] c1ccc2[nH+]c([nH]c2c1)N1CCN(CC1)C[*:1]
O=C(N[C@@H]1CCOc2ccccc21)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N[C@@H]1CCOc2ccccc21)C1CCN(CC1)C(=O)[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)/C=C/c1c(C)nn(C)c1Cl Cc1nn(C)c(Cl)c1[*:1] COc1ccccc1C[C@@H](C)N(C)C(=O)C=C[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)/C=C/c1c(C)nn(C)c1Cl COc1ccccc1[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)[C@H](C)C[*:1]
COc1ccc(C(N)=O)c(OCc2cc(C)cc(C)c2)c1 NC(=O)[*:1] COc1ccc(c(c1)OCc1cc(C)cc(C)c1)[*:1]
CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1N(C)C)N1CC[NH+](C)CC1 CN(C)[*:1] CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1[*:1])N1CC[NH+](C)CC1
CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1N(C)C)N1CC[NH+](C)CC1 CC(C)[*:1] C[C@@H]([NH2+]C[C@@H](N1CC[NH+](C)CC1)[*:1])c1ccccc1N(C)C
C=C(C)C[C@H]([NH2+]CCC)C(C)(C)[NH+]1CCCC1 C=C(C)[*:1] CCC[NH2+][C@@H](C[*:1])C(C)(C)[NH+]1CCCC1
C=C(C)C[C@H]([NH2+]CCC)C(C)(C)[NH+]1CCCC1 CCC[*:1] C=C(C)C[C@H]([NH2+][*:1])C(C)(C)[NH+]1CCCC1
C=C(C)C[C@H]([NH2+]CCC)C(C)(C)[NH+]1CCCC1 C=C(C)C[*:1] CCC[NH2+][C@H](C(C)(C)[NH+]1CCCC1)[*:1]
C[C@H]1CNC(=O)N1c1ccc([C@@H](C)Nc2ncnc3nc(N)ccc23)cc1 C[C@H]1CNC(=O)N1[*:1] C[C@@H](Nc1ncnc2nc(N)ccc12)c1ccc(cc1)[*:1]
COC[C@@H](O)CN(C)C(=O)/C(C#N)=C\c1ccc(OC)cc1 COC[*:1] COc1ccc(/C=C(/C#N)C(=O)N(C)C[C@H](O)[*:1])cc1
CSc1cccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)NC3CCCC3)CC2=O)c1 O=C(NC1CCCC1)[*:1] CSc1cccc(c1)N1C[C@@H](CC1=O)C(=O)O[C@@H](C)[*:1]
CSc1cccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)NC3CCCC3)CC2=O)c1 C1CCC(C1)[*:1] CSc1cccc(c1)N1C[C@@H](CC1=O)C(=O)O[C@@H](C)C(=O)N[*:1]
CSc1cccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)NC3CCCC3)CC2=O)c1 CSc1cccc(c1)[*:1] C[C@H](OC(=O)[C@@H]1CC(=O)N(C1)[*:1])C(=O)NC1CCCC1
COc1ccccc1C[NH+]1CCN([C@H](C)C(N)=O)CC1 C[C@H](C(N)=O)[*:1] COc1ccccc1C[NH+]1CCN(CC1)[*:1]
COc1ccccc1C[NH+]1CCN([C@H](C)C(N)=O)CC1 NC(=O)[*:1] COc1ccccc1C[NH+]1CCN(CC1)[C@H](C)[*:1]
C[NH2+][C@@H]1[C@H](Sc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C CS(=O)(=O)[*:1] C[NH2+][C@@H]1[C@@H](CCCC1(C)C)Sc1ccc(cc1)[*:1]
Cc1noc(-c2cc[nH+]c(NC[C@](C)(O)CCC(C)C)c2)n1 Cc1noc(n1)[*:1] CC(C)CC[C@@](C)(O)CNc1cc(cc[nH+]1)[*:1]
Cc1noc(-c2cc[nH+]c(NC[C@](C)(O)CCC(C)C)c2)n1 CC(C)CC[*:1] Cc1noc(n1)-c1cc[nH+]c(c1)NC[C@](C)(O)[*:1]
Cc1noc(-c2cc[nH+]c(NC[C@](C)(O)CCC(C)C)c2)n1 CC(C)[*:1] Cc1noc(n1)-c1cc[nH+]c(c1)NC[C@](C)(O)CC[*:1]
Cc1noc(-c2cc[nH+]c(NC[C@](C)(O)CCC(C)C)c2)n1 CC(C)C[*:1] Cc1noc(n1)-c1cc[nH+]c(c1)NC[C@](C)(O)C[*:1]
NC(=O)[C@@H]1CN(C(=O)N[C@@H](C(=O)N2CCCCC2)c2ccccc2)CCO1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)N[C@@H](C(=O)N1CCCCC1)[*:1]
NC(=O)[C@@H]1CN(C(=O)N[C@@H](C(=O)N2CCCCC2)c2ccccc2)CCO1 O=C(N1CCCCC1)[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)N[C@@H](c1ccccc1)[*:1]
NC(=O)[C@@H]1CN(C(=O)N[C@@H](C(=O)N2CCCCC2)c2ccccc2)CCO1 NC(=O)[*:1] O=C(N[C@@H](C(=O)N1CCCCC1)c1ccccc1)N1CCO[C@@H](C1)[*:1]
COc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N32)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
COc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)C[*:1]
COc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N32)cc1 COc1ccc(cc1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](N2C(=O)CN1Cc1ccccc1)[*:1]
Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1)N[*:1]
C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1=O c1coc(c1)[*:1] C[C@]1(NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1=O)[*:1]
C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1=O Clc1ccc(c(Cl)c1)[*:1] C[C@]1(NC(=O)N(C[C@@H](O)CO[*:1])C1=O)c1ccco1
Cn1cc(CCC(=O)Oc2ccc(F)cc2Cl)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])Oc1ccc(F)cc1Cl
O=C(NCc1coc(-c2ccccc2)n1)c1cnc([C@H]2CCCO2)s1 c1ccc(cc1)[*:1] O=C(NCc1coc(n1)[*:1])c1cnc(s1)[C@H]1CCCO1
COc1ccc2ccc(OS(=O)(=O)Cc3cccc(C#N)c3)cc2c1 N#Cc1cccc(c1)[*:1] COc1ccc2ccc(cc2c1)OS(=O)(=O)C[*:1]
CC[NH2+][C@@H](C(C)C)[C@H](C)c1ccc(OC)cc1 CC(C)[*:1] CC[NH2+][C@@H]([C@H](C)c1ccc(cc1)OC)[*:1]
O=C(C=C1CCSCC1)Nc1cc(Cl)ccc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(C=C1CCSCC1)Nc1cc(Cl)ccc1[*:1]
Cc1cc(C)c(NC(=O)CN(C)c2cncc(-n3ccnc3C)n2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1nccn1-c1cncc(n1)N(C)CC(=O)N[*:1]
Cc1cc(C)c(NC(=O)CN(C)c2cncc(-n3ccnc3C)n2)c(C)c1 Cc1nccn1[*:1] Cc1cc(C)c(NC(=O)CN(C)c2cncc(n2)[*:1])c(C)c1
C[C@@H](CN1CCN(c2cccc[nH+]2)CC1)NC(=O)[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] C[C@@H](CN1CCN(CC1)c1cccc[nH+]1)NC(=O)[*:1]
C[C@@H](CN1CCN(c2cccc[nH+]2)CC1)NC(=O)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CN1CCN(CC1)c1cccc[nH+]1)NC(=O)[C@@H](O)[*:1]
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCN(c2ccccn2)CC1 c1ccc(nc1)[*:1] Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCN(CC1)[*:1]
COC(=O)CCCNC(=O)CN1C[C@H](C)OC[C@H]1C COC(=O)C[*:1] C[C@H]1CN(CC(=O)NCC[*:1])[C@H](C)CO1
COC(=O)CCCNC(=O)CN1C[C@H](C)OC[C@H]1C COC(=O)CC[*:1] C[C@H]1CN(CC(=O)NC[*:1])[C@H](C)CO1
COC(=O)CCCNC(=O)CN1C[C@H](C)OC[C@H]1C COC(=O)[*:1] C[C@H]1CN(CC(=O)NCCC[*:1])[C@H](C)CO1
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 CC(C)C(=O)NC[*:1] O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](C1)[*:1]
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 CC(C)[*:1] O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@@H](CNC(=O)[*:1])C1
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 CC(C)C(=O)N[*:1] O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](C1)C[*:1]
CN(Cc1ccco1)C(=O)c1cc(Br)ccc1O c1coc(c1)C[*:1] CN(C(=O)c1cc(Br)ccc1O)[*:1]
CN(Cc1ccco1)C(=O)c1cc(Br)ccc1O c1coc(c1)[*:1] CN(C[*:1])C(=O)c1cc(Br)ccc1O
COc1ccc(C2=N/C(=C\c3ccc(OCC#N)cc3)C(=O)O2)cc1 COc1ccc(cc1)[*:1] N#CCOc1ccc(/C=C2\N=C(OC2=O)[*:1])cc1
COc1ccc(C2=N/C(=C\c3ccc(OCC#N)cc3)C(=O)O2)cc1 N#CCO[*:1] COc1ccc(cc1)C1=N/C(=C\c2ccc(cc2)[*:1])C(=O)O1
COc1ccc(C2=N/C(=C\c3ccc(OCC#N)cc3)C(=O)O2)cc1 N#CC[*:1] COc1ccc(cc1)C1=N/C(=C\c2ccc(cc2)O[*:1])C(=O)O1
CCn1cnc(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)c1 O=C([O-])[*:1] CCn1cnc(c1)S(=O)(=O)N1CCC(C)(CC1)[*:1]
CC[C@H](NC1=[NH+][C@@H](C(C)C)CS1)C1CCCCC1 CC(C)[*:1] CC[C@H](NC1=[NH+][C@@H](CS1)[*:1])C1CCCCC1
CC[C@H](NC1=[NH+][C@@H](C(C)C)CS1)C1CCCCC1 C1CCC(CC1)[*:1] CC[C@H](NC1=[NH+][C@H](CS1)C(C)C)[*:1]
O=C(NC[C@H]1CCCO1)c1ccccc1N1CCCC1=O C1CO[C@H](C1)C[*:1] O=C(N[*:1])c1ccccc1N1CCCC1=O
O=C(NC[C@H]1CCCO1)c1ccccc1N1CCCC1=O C1CO[C@H](C1)[*:1] O=C(NC[*:1])c1ccccc1N1CCCC1=O
O=C(NC[C@H]1CCCO1)c1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1[*:1]
C[C@H](COc1ccc(F)cc1)NC(=O)NC[C@H](O)c1c(F)cccc1F Fc1ccc(cc1)[*:1] C[C@H](CO[*:1])NC(=O)NC[C@H](O)c1c(F)cccc1F
C[C@H](COc1ccc(F)cc1)NC(=O)NC[C@H](O)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@H](COc1ccc(F)cc1)NC(=O)NC[C@H](O)[*:1]
C[C@H](COc1ccc(F)cc1)NC(=O)NC[C@H](O)c1c(F)cccc1F Fc1ccc(cc1)O[*:1] C[C@H](C[*:1])NC(=O)NC[C@H](O)c1c(F)cccc1F
CC(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2F)cc1 CC(=O)[*:1] O=C(CNc1ccc(Cl)cc1F)Nc1ccc(cc1)[*:1]
COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 c1cc2OCOc2cc1[*:1] COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C[*:1])c1ccccc1
COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccc2OCOc2c1)[*:1]
COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 COc1ccc(C)cc1[*:1] O=C(N[*:1])[C@H]([NH2+]Cc1ccc2OCOc2c1)c1ccccc1
CS(=O)(=O)CCN1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 CS(=O)(=O)[*:1] Clc1ccc2C[C@@H](c3ccccc3)N(CC[*:1])Cc2c1
CS(=O)(=O)CCN1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 CS(=O)(=O)CC[*:1] Clc1ccc2C[C@@H](c3ccccc3)N(Cc2c1)[*:1]
CS(=O)(=O)CCN1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)CCN1Cc2cc(Cl)ccc2C[C@@H]1[*:1]
CS(=O)(=O)CCN1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 CS(=O)(=O)C[*:1] Clc1ccc2C[C@@H](c3ccccc3)N(Cc2c1)C[*:1]
N#Cc1ccccc1CS(=O)(=O)Cc1coc(-c2ccccc2)n1 N#Cc1ccccc1[*:1] O=S(=O)(Cc1coc(n1)-c1ccccc1)C[*:1]
N#Cc1ccccc1CS(=O)(=O)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] N#Cc1ccccc1CS(=O)(=O)Cc1coc(n1)[*:1]
Cc1ccc([C@@](O)(CC(=O)N2CC[C@@H](C)[C@H](O)C2)C(F)(F)F)o1 Cc1ccc(o1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)C[C@](O)(C(F)(F)F)[*:1]
Cc1ccc([C@@](O)(CC(=O)N2CC[C@@H](C)[C@H](O)C2)C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)N1CC[C@@H](C)[C@H](O)C1)[*:1]
CCCc1nnc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)s1 Fc1cccc(c1)[*:1] CCCc1nnc(NC(=O)C2CCN(CC2)C(=O)[*:1])s1
CCCc1nnc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)s1 CCC[*:1] O=C(Nc1nnc(s1)[*:1])C1CCN(CC1)C(=O)c1cccc(F)c1
CCCc1nnc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)s1 CCCc1nnc(s1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccc(F)c1
C[C@@H](CC(=O)Nc1ccccc1C(N)=O)c1ccc(C(F)(F)F)cc1 NC(=O)[*:1] C[C@@H](CC(=O)Nc1ccccc1[*:1])c1ccc(cc1)C(F)(F)F
C[C@@H](CC(=O)Nc1ccccc1C(N)=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](CC(=O)Nc1ccccc1C(N)=O)c1ccc(cc1)[*:1]
CCCCNC(=O)[C@H]1CCCN(c2nc3ccccc3n(CC)c2=O)C1 CCC[*:1] CCn1c(=O)c(nc2ccccc21)N1CCC[C@@H](C1)C(=O)NC[*:1]
CCCCNC(=O)[C@H]1CCCN(c2nc3ccccc3n(CC)c2=O)C1 CCCCNC(=O)[*:1] CCn1c(=O)c(nc2ccccc21)N1CCC[C@@H](C1)[*:1]
CCCCNC(=O)[C@H]1CCCN(c2nc3ccccc3n(CC)c2=O)C1 CCCC[*:1] CCn1c(=O)c(nc2ccccc21)N1CCC[C@@H](C1)C(=O)N[*:1]
O=C(CSCCN1CCOCC1)Nc1ccccc1Br C1CN(CCO1)[*:1] O=C(CSCC[*:1])Nc1ccccc1Br
c1cc(-c2ccc(-c3nnco3)cc2)cc(-c2cc[nH]n2)c1 c1cc(n[nH]1)[*:1] c1cc(cc(c1)[*:1])-c1ccc(cc1)-c1nnco1
c1cc(-c2ccc(-c3nnco3)cc2)cc(-c2cc[nH]n2)c1 c1nnc(o1)[*:1] c1cc(cc(c1)-c1cc[nH]n1)-c1ccc(cc1)[*:1]
CC(C)CS(=O)(=O)[N-]c1ccc(F)cc1 CC(C)[*:1] O=S(=O)(C[*:1])[N-]c1ccc(F)cc1
CC(C)CS(=O)(=O)[N-]c1ccc(F)cc1 CC(C)C[*:1] O=S(=O)([N-]c1ccc(F)cc1)[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 Clc1ccc(C[*:1])s1 CCN(C(=O)Cn1nnc(n1)-c1ccc(F)cc1)[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)Cn1nnc(n1)-c1ccc(F)cc1
CCN(Cc1ccc(Cl)s1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCN(Cc1ccc(Cl)s1)C(=O)Cn1nnc(n1)[*:1]
Cc1ccc(NC(=O)c2c(C)nn(CCCl)c2C)cc1[N+](=O)[O-] ClCC[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)c1c(C)nn(c1C)[*:1]
Cc1ccc(NC(=O)c2c(C)nn(CCCl)c2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)c1c(C)nn(CCCl)c1C
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](C#N)c3ccccc3C)C2)c1 Cc1cccc(c1)[*:1] Cc1ccccc1[C@H](C#N)NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](C#N)c3ccccc3C)C2)c1 Cc1ccccc1[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)N[C@@H](C#N)[*:1]
COCC(=O)N1[C@@H](C(=O)[O-])CC[C@@H]2CCCC[C@H]21 O=C([O-])[*:1] COCC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1[*:1]
COCC(=O)N1[C@@H](C(=O)[O-])CC[C@@H]2CCCC[C@H]21 COC[*:1] O=C([O-])[C@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)[*:1]
C[S@@](=O)CCNC(=O)[C@@]1(C)CC1(Cl)Cl C[S@@](=O)C[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NC[*:1]
C[S@@](=O)CCNC(=O)[C@@]1(C)CC1(Cl)Cl C[S@@](=O)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NCC[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(O)cc(C#N)c2)cc1 CC(C)(C)[*:1] N#Cc1cc(O)cc(c1)-c1ccc(cc1)S(=O)(=O)N[*:1]
O=[N+]([O-])c1ccccc1SN1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=[N+]([O-])c1ccccc1SN1CCN(CC1)[*:1]
O=[N+]([O-])c1ccccc1SN1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1SN1CCN(CC1)C[*:1]
O=[N+]([O-])c1ccccc1SN1CCN(Cc2ccccc2)CC1 O=[N+]([O-])[*:1] c1ccc(cc1)CN1CCN(CC1)Sc1ccccc1[*:1]
Cc1cnc(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)cn1 Cc1cnc(cn1)[*:1] CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)[*:1])n1
Cc1cnc(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)cn1 CC(C)CO[C@@H](C)[*:1] Cc1cnc(cn1)C(=O)N(C)Cc1nc(no1)[*:1]
Cc1cnc(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)cn1 CC(C)CO[*:1] Cc1cnc(cn1)C(=O)N(C)Cc1nc(no1)[C@H](C)[*:1]
Cc1cnc(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)cn1 CC(C)C[*:1] Cc1cnc(cn1)C(=O)N(C)Cc1nc(no1)[C@H](C)O[*:1]
Cc1cnc(C(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)cn1 CC(C)[*:1] Cc1cnc(cn1)C(=O)N(C)Cc1nc(no1)[C@H](C)OC[*:1]
COCCN(C)C(=O)c1ccc(I)cc1 COCC[*:1] CN(C(=O)c1ccc(I)cc1)[*:1]
COCCN(C)C(=O)c1ccc(I)cc1 COC[*:1] CN(C[*:1])C(=O)c1ccc(I)cc1
Cc1cccc(Cn2cccc(C(=O)NC[C@@H](O)c3ccccc3)c2=O)c1 Cc1cccc(c1)[*:1] O=C(NC[C@@H](O)c1ccccc1)c1cccn(C[*:1])c1=O
Cc1cccc(Cn2cccc(C(=O)NC[C@@H](O)c3ccccc3)c2=O)c1 O[C@@H](c1ccccc1)[*:1] Cc1cccc(c1)Cn1cccc(C(=O)NC[*:1])c1=O
Cc1cccc(Cn2cccc(C(=O)NC[C@@H](O)c3ccccc3)c2=O)c1 Cc1cccc(c1)C[*:1] O=C(NC[C@@H](O)c1ccccc1)c1cccn(c1=O)[*:1]
Cc1cccc(Cn2cccc(C(=O)NC[C@@H](O)c3ccccc3)c2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)Cn1cccc(C(=O)NC[C@@H](O)[*:1])c1=O
Cc1cccc(Cn2cccc(C(=O)NC[C@@H](O)c3ccccc3)c2=O)c1 O[C@H](C[*:1])c1ccccc1 Cc1cccc(c1)Cn1cccc(C(=O)N[*:1])c1=O
C[C@@H]1CC(=O)c2cnc(NC[C@@H]3CCCO3)nc2C1 C1CO[C@@H](C1)C[*:1] C[C@@H]1CC(=O)c2cnc(nc2C1)N[*:1]
C[C@@H]1CC(=O)c2cnc(NC[C@@H]3CCCO3)nc2C1 C1CO[C@@H](C1)[*:1] C[C@@H]1CC(=O)c2cnc(nc2C1)NC[*:1]
COc1ccc(N(Cc2noc(C3CC3)n2)S(=O)(=O)c2ccccc2)cc1 C1CC1c1nc(no1)[*:1] COc1ccc(cc1)N(C[*:1])S(=O)(=O)c1ccccc1
COc1ccc(N(Cc2noc(C3CC3)n2)S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N(Cc1noc(n1)C1CC1)S(=O)(=O)[*:1]
COc1ccc(N(Cc2noc(C3CC3)n2)S(=O)(=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)N(Cc1noc(n1)C1CC1)[*:1]
COc1ccc(N(Cc2noc(C3CC3)n2)S(=O)(=O)c2ccccc2)cc1 C1CC1[*:1] COc1ccc(cc1)N(Cc1noc(n1)[*:1])S(=O)(=O)c1ccccc1
COc1ccc(N(Cc2noc(C3CC3)n2)S(=O)(=O)c2ccccc2)cc1 C1CC1c1nc(C[*:1])no1 COc1ccc(cc1)N(S(=O)(=O)c1ccccc1)[*:1]
Cc1ccc2[nH]cc(-c3ccc(C(=O)N(C)C)o3)c2c1 CN(C)C(=O)[*:1] Cc1ccc2[nH]cc(-c3ccc(o3)[*:1])c2c1
CSC[C@@H](CCO)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C CSC[*:1] C[C@H]([NH2+][C@H](CCO)[*:1])c1nc2ccc(Cl)cc2n1C
CSC[C@@H](CCO)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C OCC[*:1] CSC[C@@H]([NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)N1CC[C@H]1c1ccc(Cl)cc1
CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@@H]1[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 CCS(=O)(=O)C[*:1] C[C@@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)[*:1]
COc1ccccc1N1CCN(C(=O)c2cnc3c(c2)c(C#N)cn3Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1cnc2c(c1)c(C#N)cn2[*:1]
COc1ccccc1N1CCN(C(=O)c2cnc3c(c2)c(C#N)cn3Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1cnc2c(c1)c(C#N)cn2C[*:1]
COc1ccccc1N1CCN(C(=O)c2cnc3c(c2)c(C#N)cn3Cc2ccccc2)CC1 COc1ccccc1[*:1] N#Cc1cn(Cc2ccccc2)c2ncc(cc12)C(=O)N1CCN(CC1)[*:1]
CCOCc1nc2c(c(N[C@@H]3COC4(CCCC4)C3)n1)CC[NH2+]CC2 CCOC[*:1] C1CCC2(C1)C[C@@H](CO2)Nc1nc(nc2CC[NH2+]CCc21)[*:1]
CCOCc1nc2c(c(N[C@@H]3COC4(CCCC4)C3)n1)CC[NH2+]CC2 CCO[*:1] C1CCC2(C1)C[C@@H](CO2)Nc1nc(C[*:1])nc2CC[NH2+]CCc21
COc1nn(C)c2nc(C)c(CCc3nc(-c4cnccn4)no3)c(C)c12 c1cnc(cn1)[*:1] COc1nn(C)c2nc(C)c(CCc3nc(no3)[*:1])c(C)c12
CCc1noc(CSCc2noc(Cc3ccccc3C)n2)n1 CCc1noc(n1)[*:1] Cc1ccccc1Cc1nc(CSC[*:1])no1
CCc1noc(CSCc2noc(Cc3ccccc3C)n2)n1 Cc1ccccc1[*:1] CCc1noc(CSCc2noc(C[*:1])n2)n1
CCOc1cc(/C=C/C(=O)NC2CC2)ccc1OC O=C(NC1CC1)[*:1] CCOc1cc(C=C[*:1])ccc1OC
CCOc1cc(/C=C/C(=O)NC2CC2)ccc1OC C1CC1[*:1] CCOc1cc(/C=C/C(=O)N[*:1])ccc1OC
CCOc1cc(/C=C/C(=O)NC2CC2)ccc1OC CCO[*:1] COc1ccc(/C=C/C(=O)NC2CC2)cc1[*:1]
COc1ccnc(NC(=O)c2ccc(NC(N)=O)cc2)c1 NC(=O)N[*:1] COc1ccnc(c1)NC(=O)c1ccc(cc1)[*:1]
C(=N/Nc1nnc(SCc2ccccc2)[nH]1)\c1cccs1 c1csc(c1)[*:1] C(=NNc1nnc([nH]1)SCc1ccccc1)[*:1]
C(=N/Nc1nnc(SCc2ccccc2)[nH]1)\c1cccs1 c1ccc(cc1)C[*:1] C(=N/Nc1nnc([nH]1)S[*:1])\c1cccs1
C(=N/Nc1nnc(SCc2ccccc2)[nH]1)\c1cccs1 c1ccc(cc1)[*:1] C(=N/Nc1nnc([nH]1)SC[*:1])\c1cccs1
O=C(NCc1cccnc1OC1CCCC1)[C@H]1C[C@H]2CC[C@@H]1C2 C1CCC(C1)O[*:1] O=C(NCc1cccnc1[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
O=C(NCc1cccnc1OC1CCCC1)[C@H]1C[C@H]2CC[C@@H]1C2 C1CCC(C1)[*:1] O=C(NCc1cccnc1O[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
CN(Cc1cccc2ccccc12)C(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] CN(Cc1cccc2ccccc12)C(=O)NCC(C)(C)[*:1]
NC(=O)NCc1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 C1CC1[*:1] NC(=O)NCc1ccc(cc1)C(=O)N(C[*:1])c1ccccc1
NC(=O)NCc1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)NCc1ccc(cc1)C(=O)N(CC1CC1)[*:1]
NC(=O)NCc1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 NC(=O)NC[*:1] O=C(c1ccc(cc1)[*:1])N(CC1CC1)c1ccccc1
NC(=O)NCc1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 C1CC1C[*:1] NC(=O)NCc1ccc(cc1)C(=O)N(c1ccccc1)[*:1]
NC(=O)NCc1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 NC(=O)N[*:1] O=C(c1ccc(cc1)C[*:1])N(CC1CC1)c1ccccc1
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1 CCOC(=O)[*:1] CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC[C@H](NC(=O)c1cccc(C(=O)OC)n1)c1cccc([N+](=O)[O-])c1 COC(=O)[*:1] CC[C@H](NC(=O)c1cccc(n1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)c1cccc(C(=O)OC)n1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)c1cccc(n1)C(=O)OC)c1cccc(c1)[*:1]
O=C([O-])C1=NN(c2cc(F)ccc2F)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C([O-])C1C[C@H](N(N=1)c1cc(F)ccc1F)[*:1]
CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ccc(cc1Cl)[N+](=O)[O-]
CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C O=[N+]([O-])[*:1] CC(=O)c1ccc(cc1C)NC(=O)c1ccc(cc1Cl)[*:1]
Cc1csc(CCCCNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1 Cc1csc(C[*:1])n1 O=C(NCCC[*:1])N1CC[C@](O)(C1)C(F)(F)F
Cc1csc(CCCCNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1 FC(F)(F)[*:1] Cc1csc(CCCCNC(=O)N2CC[C@@](O)(C2)[*:1])n1
Cc1csc(CCCCNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1 Cc1csc(n1)[*:1] O=C(NCCCC[*:1])N1CC[C@](O)(C1)C(F)(F)F
CC[C@H](C)CN(C)C(=O)Cn1nc(C)c(N)c1C CC[C@H](C)[*:1] Cc1nn(CC(=O)N(C)C[*:1])c(C)c1N
CC[C@H](C)CN(C)C(=O)Cn1nc(C)c(N)c1C CC[C@H](C)C[*:1] Cc1nn(CC(=O)N(C)[*:1])c(C)c1N
CC(C)CCC(=O)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 CC(C)(C)C(=O)N[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)C[*:1]
CC(C)CCC(=O)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)CNC(=O)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 CC(C)C[*:1] CC(C)(C)C(=O)NCC(=O)N1CCN(CC1)C(=O)C[*:1]
CC(C)CCC(=O)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 CC(C)[*:1] CC(C)(C)C(=O)NCC(=O)N1CCN(CC1)C(=O)CC[*:1]
CC(C)CCC(=O)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 CC(C)CC[*:1] CC(C)(C)C(=O)NCC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)NCC[NH2+]Cc2cc(C#N)n(C)c2C)cc1F Cc1ccc(cc1F)[*:1] Cc1c(cc(C#N)n1C)C[NH2+]CCNC(=O)[*:1]
COc1ccc(CNC(=O)NCC2CC2)c(OC2CCCC2)c1 C1CC1[*:1] COc1ccc(CNC(=O)NC[*:1])c(c1)OC1CCCC1
COc1ccc(CNC(=O)NCC2CC2)c(OC2CCCC2)c1 C1CC1C[*:1] COc1ccc(CNC(=O)N[*:1])c(c1)OC1CCCC1
COc1ccc(CNC(=O)NCC2CC2)c(OC2CCCC2)c1 C1CCC(C1)[*:1] COc1ccc(CNC(=O)NCC2CC2)c(c1)O[*:1]
COc1ccc(CNC(=O)NCC2CC2)c(OC2CCCC2)c1 C1CCC(C1)O[*:1] COc1ccc(CNC(=O)NCC2CC2)c(c1)[*:1]
CCC[NH+](C)Cn1c(=S)oc2ccc(S(=O)(=O)N(C)C)cc21 CCC[*:1] CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[NH+](C)[*:1])c2c1
CCC[NH+](C)Cn1c(=S)oc2ccc(S(=O)(=O)N(C)C)cc21 CN(C)S(=O)(=O)[*:1] CCC[NH+](C)Cn1c(=S)oc2ccc(cc21)[*:1]
CNC(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(NC(=O)N(C)[C@@H](C)[*:1])c(Cl)c1
CNC(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2)c(Cl)c1 C[C@@H](c1ccccc1)[*:1] CNC(=O)c1ccc(NC(=O)N(C)[*:1])c(Cl)c1
CNC(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2)c(Cl)c1 CNC(=O)[*:1] C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(cc1Cl)[*:1]
Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3cccs3)nc(C)n2)n1 Cc1cc(C)n(n1)[*:1] Cc1nc(cc(n1)[*:1])NCCNS(=O)(=O)c1cccs1
Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3cccs3)nc(C)n2)n1 c1csc(c1)[*:1] Cc1cc(C)n(n1)-c1cc(nc(C)n1)NCCNS(=O)(=O)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)c1cccc(c1)[*:1] C[C@@H](Oc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] C[C@@H](Oc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 C[C@@H](Oc1ccccc1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
CCN1C[C@@]2(C(=O)[O-])CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1=O O=C([O-])[*:1] CCN1C[C@]2(CN(C[C@H]2C1=O)c1ccc(nn1)-c1ccccc1)[*:1]
CCN1C[C@@]2(C(=O)[O-])CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1=O c1ccc(cc1)[*:1] CCN1C[C@]2(CN(C[C@H]2C1=O)c1ccc(nn1)[*:1])C(=O)[O-]
CCCCOc1ccc(C(=O)NCc2ccsc2)cc1 CCCC[*:1] O=C(NCc1ccsc1)c1ccc(cc1)O[*:1]
CCCCOc1ccc(C(=O)NCc2ccsc2)cc1 CCC[*:1] O=C(NCc1ccsc1)c1ccc(cc1)OC[*:1]
CCCCOc1ccc(C(=O)NCc2ccsc2)cc1 c1cc(cs1)[*:1] CCCCOc1ccc(cc1)C(=O)NC[*:1]
CCCCOc1ccc(C(=O)NCc2ccsc2)cc1 c1cc(cs1)C[*:1] CCCCOc1ccc(cc1)C(=O)N[*:1]
CCCCOc1ccc(C(=O)NCc2ccsc2)cc1 CCCCO[*:1] O=C(NCc1ccsc1)c1ccc(cc1)[*:1]
O=C(N/N=C\C=C/c1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] O=C(N/N=C\C=C[*:1])C1CCCCC1
O=C(N/N=C\C=C/c1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(N/N=C\C=C/c1ccccc1)[*:1]
N#Cc1ccc(N2CC[C@H](Sc3nnnn3C3CC3)C2=O)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N1CC[C@H](Sc2nnnn2[*:1])C1=O
CC1(CNC(=O)OC(C)(C)C)CCCC1 CC(C)(C)[*:1] CC1(CCCC1)CNC(=O)O[*:1]
Cc1cc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)on1 Cc1cc(on1)[*:1] O=C1C[C@H](Cc2ccc(cc2)NC(=O)[*:1])C(=O)N1
Cc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H]([NH2+]Cc1ccccc1)[*:1]
Cc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]([NH2+]Cc1ccccc1)c1ccccc1
Cc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H]([NH2+]C[*:1])c1ccccc1
Cc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)NC(=O)[C@@H]([NH2+][*:1])c1ccccc1
O=C(Nc1cc(Br)ccc1-n1cccn1)C(=O)N1CCCC1 c1cnn(c1)[*:1] O=C(Nc1cc(Br)ccc1[*:1])C(=O)N1CCCC1
CN(C)S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C2CC2)ccc1F C1CC1[*:1] CN(C)S(=O)(=O)c1cc(ccc1F)C(=O)N1CCOC[C@H]1[*:1]
CN(C)S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C2CC2)ccc1F CN(C)S(=O)(=O)[*:1] O=C(c1ccc(F)c(c1)[*:1])N1CCOC[C@@H]1C1CC1
CCCCN1C(=O)NC(=O)/C(=C(\C)NCCc2ccccc2)C1=O CCCC[*:1] C/C(NCCc1ccccc1)=C1\C(=O)NC(=O)N(C1=O)[*:1]
CCCCN1C(=O)NC(=O)/C(=C(\C)NCCc2ccccc2)C1=O c1ccc(cc1)CC[*:1] CCCCN1C(=O)NC(=O)/C(C1=O)=C(\C)N[*:1]
CCCCN1C(=O)NC(=O)/C(=C(\C)NCCc2ccccc2)C1=O c1ccc(cc1)[*:1] CCCCN1C(=O)NC(=O)/C(C1=O)=C(\C)NCC[*:1]
CCCCN1C(=O)NC(=O)/C(=C(\C)NCCc2ccccc2)C1=O CCC[*:1] C/C(NCCc1ccccc1)=C1\C(=O)NC(=O)N(C[*:1])C1=O
CCCCN1C(=O)NC(=O)/C(=C(\C)NCCc2ccccc2)C1=O c1ccc(cc1)C[*:1] CCCCN1C(=O)NC(=O)/C(C1=O)=C(\C)NC[*:1]
COc1ccc(N2C(=O)CCCC2=O)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccccc1[*:1])N1C(=O)CCCC1=O
COc1ccc(N2C(=O)CCCC2=O)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])N1C(=O)CCCC1=O
COc1ccc(N2C(=O)CCCC2=O)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F O=C1CCCC(=O)N1[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccccc1C(F)(F)F)[*:1]
O=C(NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 O=C(NC[*:1])C1CC1 O=C(N1Cc2ccccc2[C@H](C1)c1ccccc1)[*:1]
O=C(NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 C1CC1[*:1] O=C(CNC(=O)[*:1])N1Cc2ccccc2[C@H](C1)c1ccccc1
O=C(NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1Cc2ccccc2[C@@H](C1)[*:1])C1CC1
O=C(NCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 O=C(N[*:1])C1CC1 O=C(C[*:1])N1Cc2ccccc2[C@H](C1)c1ccccc1
CC(C)c1cnc(NC(=O)CCOc2cccc(C(N)=O)c2)s1 NC(=O)[*:1] CC(C)c1cnc(NC(=O)CCOc2cccc(c2)[*:1])s1
CC(C)c1cnc(NC(=O)CCOc2cccc(C(N)=O)c2)s1 CC(C)[*:1] NC(=O)c1cccc(c1)OCCC(=O)Nc1ncc(s1)[*:1]
COc1ccc(OC)c(NC(=O)CSC2=NC(=O)[C@@H]3SC(=S)N(c4ccccc4)C3=N2)c1 COc1ccc(OC)c(c1)[*:1] O=C(CSC1=NC(=O)[C@@H]2SC(=S)N(C2=N1)c1ccccc1)N[*:1]
COc1ccc(OC)c(NC(=O)CSC2=NC(=O)[C@@H]3SC(=S)N(c4ccccc4)C3=N2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)CSC1=NC(=O)[C@@H]2SC(=S)N(C2=N1)[*:1]
Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@H]3C(=O)N3CCN(C)CC3)oc12 CN1CCN(CC1)C(=O)[*:1] Cc1ccc(C)c2c(C)c(oc12)C(=O)N1CCC[C@@H]1[*:1]
O=C1CN(CCC2=CCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1CN(CCC2=CCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(Cl)c1)[*:1]
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(=O)[O-] CC(C)(C)[*:1] O=C(N[C@H](Cc1ccc(O)c(Cl)c1)C(=O)[O-])O[*:1]
COC(=O)c1cc(C(=O)NCc2ccc(C)cc2OC(C)(C)C)ccn1 COC(=O)[*:1] Cc1ccc(CNC(=O)c2ccnc(c2)[*:1])c(c1)OC(C)(C)C
COC(=O)c1cc(C(=O)NCc2ccc(C)cc2OC(C)(C)C)ccn1 CC(C)(C)[*:1] COC(=O)c1cc(ccn1)C(=O)NCc1ccc(C)cc1O[*:1]
COC(=O)c1cc(C(=O)NCc2ccc(C)cc2OC(C)(C)C)ccn1 CC(C)(C)O[*:1] COC(=O)c1cc(ccn1)C(=O)NCc1ccc(C)cc1[*:1]
CC(C)C[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 CC(C)[*:1] O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 CC(C)C[*:1] O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[NH+](CC1)[*:1]
CC(C)CCNC(=O)NC1(c2ccccc2F)CC1 CC(C)CC[*:1] O=C(NC1(CC1)c1ccccc1F)N[*:1]
CC(C)CCNC(=O)NC1(c2ccccc2F)CC1 CC(C)[*:1] O=C(NCC[*:1])NC1(CC1)c1ccccc1F
CC(C)CCNC(=O)NC1(c2ccccc2F)CC1 CC(C)C[*:1] O=C(NC[*:1])NC1(CC1)c1ccccc1F
CCC[C@]1(C2CCN(C(=O)c3cccc(F)c3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O C1CO[C@H](C1)[*:1] CCC[C@@]1(NC(=O)N(C[*:1])C1=O)C1CCN(CC1)C(=O)c1cccc(F)c1
CCC[C@]1(C2CCN(C(=O)c3cccc(F)c3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O Fc1cccc(c1)[*:1] CCC[C@@]1(NC(=O)N(C[C@H]2CCCO2)C1=O)C1CCN(CC1)C(=O)[*:1]
CCC[C@]1(C2CCN(C(=O)c3cccc(F)c3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O CCC[*:1] O=C(c1cccc(F)c1)N1CCC(CC1)[C@@]1(NC(=O)N(C[C@H]2CCCO2)C1=O)[*:1]
CCC[C@]1(C2CCN(C(=O)c3cccc(F)c3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O C1CO[C@H](C1)C[*:1] CCC[C@@]1(NC(=O)N(C1=O)[*:1])C1CCN(CC1)C(=O)c1cccc(F)c1
Cc1cc(NC(=O)C(=O)NC[C@H](O)c2cccn2C)no1 Cc1cc(no1)[*:1] Cn1cccc1[C@@H](O)CNC(=O)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)NC[C@H](O)c2cccn2C)no1 Cn1cccc1[*:1] Cc1cc(no1)NC(=O)C(=O)NC[C@H](O)[*:1]
CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)nn3)CC2)cc1 Cc1ccc(nn1)[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)nn3)CC2)cc1 CCO[*:1] Cc1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@@](O)(CC=O)[C@H]1CCOC2(CCOCC2)C1 O=CC[*:1] C[C@@](O)([C@H]1CCOC2(CCOCC2)C1)[*:1]
CNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2 CNC(=O)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1C[C@@H]2C=C[C@H]1C2
CC[C@H]([NH2+][C@H](C)c1c(C)noc1C)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@H]([NH2+][C@H](C)c1c(C)noc1C)C(=O)N[*:1]
CC[C@H]([NH2+][C@H](C)c1c(C)noc1C)C(=O)Nc1cc(C)on1 Cc1noc(C)c1[*:1] CC[C@H]([NH2+][C@H](C)[*:1])C(=O)Nc1cc(C)on1
CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(CCC3=c4cc(Cl)ccc4=[NH+]C3)C2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CCC2C[NH+]=c3ccc(Cl)cc3=2)C1
CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(CCC3=c4cc(Cl)ccc4=[NH+]C3)C2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CC(=O)N(CCC2C[NH+]=c3ccc(Cl)cc3=2)C1
CC(C)c1ccc(CNc2cnn(-c3ccccc3S(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] CC(C)c1ccc(cc1)CNc1cnn(c1)-c1ccccc1[*:1]
CC(C)c1ccc(CNc2cnn(-c3ccccc3S(C)(=O)=O)c2)cc1 CC(C)[*:1] CS(=O)(=O)c1ccccc1-n1cc(cn1)NCc1ccc(cc1)[*:1]
S=C(NCc1ccco1)Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)[*:1] S=C(NCc1ccco1)Nc1ccc(cc1)N[*:1]
S=C(NCc1ccco1)Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)N[*:1] S=C(NCc1ccco1)Nc1ccc(cc1)[*:1]
S=C(NCc1ccco1)Nc1ccc(Nc2ccccc2)cc1 c1coc(c1)C[*:1] S=C(Nc1ccc(cc1)Nc1ccccc1)N[*:1]
S=C(NCc1ccco1)Nc1ccc(Nc2ccccc2)cc1 c1coc(c1)[*:1] S=C(NC[*:1])Nc1ccc(cc1)Nc1ccccc1
Cc1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1C1CC1 C1CC1[*:1] Cc1nnc(SCC(=O)N[C@H](C)c2ccc3CCCCc3c2)n1[*:1]
CC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1 CC(=O)[*:1] O=C(CNc1ccc(Cl)c(c1)C(F)(F)F)Nc1ccccc1[*:1]
CC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] CC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)c(c1)[*:1]
O=C(CC1CCOCC1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)[*:1] O=C(CC1CCOCC1)N1CCO[C@H](C1)c1cccc(c1)O[*:1]
O=C(CC1CCOCC1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 C1CC(CCO1)[*:1] O=C(C[*:1])N1CCO[C@H](C1)c1cccc(c1)OC(F)F
O=C(CC1CCOCC1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] O=C(CC1CCOCC1)N1CCO[C@H](C1)c1cccc(c1)[*:1]
O=C(CC1CCOCC1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 C1CC(CCO1)C[*:1] O=C(N1CCO[C@H](C1)c1cccc(c1)OC(F)F)[*:1]
Cc1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c(Br)c1 CC(C)(C)[*:1] Cc1ccc(NC(=O)c2cc(C3CC3)n(n2)[*:1])c(Br)c1
Cc1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c(Br)c1 C1CC1[*:1] Cc1ccc(NC(=O)c2cc(n(n2)C(C)(C)C)[*:1])c(Br)c1
CON(C)C(=O)C[NH+]1CCSC2(CCCCC2)C1 CON(C)C(=O)[*:1] C1CCC2(CC1)C[NH+](CCS2)C[*:1]
O=C(c1ccc2ncsc2c1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(c1ccc2ncsc2c1)N1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
O=C(c1ccc2ncsc2c1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 c1nc2ccc(cc2s1)[*:1] O=C([C@H]1C[C@H]1c1ccc2OCOc2c1)N1CCN(CC1)C(=O)[*:1]
CC(=O)[C@H](C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C CC(=O)[C@H](C)O[*:1] Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(ccc12)[*:1]
CC(=O)[C@H](C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C CC(=O)[*:1] Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(ccc12)O[C@@H](C)[*:1]
CC(=O)[C@H](C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C c1ccc(cc1)[*:1] CC(=O)[C@H](C)Oc1ccc2c(C)c(C[*:1])c(=O)oc2c1C
CC(=O)[C@H](C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C c1ccc(cc1)C[*:1] CC(=O)[C@H](C)Oc1ccc2c(C)c(c(=O)oc2c1C)[*:1]
O=C1CCCN1[C@H](CCl)n1nnc2ccccc21 O=C1CCCN1[*:1] ClC[C@H](n1nnc2ccccc21)[*:1]
COC(C)(C)CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 COC(C)(C)C[*:1] Cc1ccc([nH+]c1)N1CCC(CC1)NC(=O)N[*:1]
COC(C)(C)CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 COC(C)(C)[*:1] Cc1ccc([nH+]c1)N1CCC(CC1)NC(=O)NC[*:1]
COc1cccc(N2C[C@@H](NC(=O)Nc3c(C)cc(C)cc3C)CC2=O)c1 Cc1cc(C)c(c(C)c1)[*:1] COc1cccc(c1)N1C[C@H](CC1=O)NC(=O)N[*:1]
COc1cccc(N2C[C@@H](NC(=O)Nc3c(C)cc(C)cc3C)CC2=O)c1 COc1cccc(c1)[*:1] Cc1cc(C)c(NC(=O)N[C@H]2CC(=O)N(C2)[*:1])c(C)c1
CC(C)CC[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Cl)cc1 CC(C)C[*:1] Cn1c(=O)ccn(CC(=O)N[C@@H](C[*:1])c2ccc(Cl)cc2)c1=O
CC(C)CC[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)CC[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)[*:1]
CC(C)CC[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Cl)cc1 CC(C)[*:1] Cn1c(=O)ccn(CC(=O)N[C@@H](CC[*:1])c2ccc(Cl)cc2)c1=O
CC(C)CC[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Cl)cc1 CC(C)CC[*:1] Cn1c(=O)ccn(CC(=O)N[C@H](c2ccc(Cl)cc2)[*:1])c1=O
CNC(=O)Cc1noc(Cn2c(C3CCCCC3)nc3ccccc32)n1 CNC(=O)C[*:1] c1ccc2c(c1)nc(C1CCCCC1)n2Cc1nc(no1)[*:1]
CNC(=O)Cc1noc(Cn2c(C3CCCCC3)nc3ccccc32)n1 CNC(=O)[*:1] c1ccc2c(c1)nc(C1CCCCC1)n2Cc1nc(C[*:1])no1
CNC(=O)Cc1noc(Cn2c(C3CCCCC3)nc3ccccc32)n1 C1CCC(CC1)[*:1] CNC(=O)Cc1noc(Cn2c(nc3ccccc32)[*:1])n1
CC(C)(C)NC(=O)c1ccccc1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])c1ccccc1C(=O)N[*:1]
CC(C)(C)NC(=O)c1ccccc1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)NC(=O)c1ccccc1[*:1]
C[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](NC(=O)C1CCC(=O)N(N=1)[C@@H]1CCS(=O)(=O)C1)c1cccc(c1)[*:1]
O=[N+]([O-])c1ccc(Sc2ncccn2)nc1 O=[N+]([O-])[*:1] c1cnc(nc1)Sc1ccc(cn1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)[C@H](c3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(C)[C@H](C1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)[C@H](c3ccc(F)cc3)C2)cc1 CC(=O)N[*:1] CN1CCN(C[C@H]1c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)[*:1]
CCN1CCN([C@H](C)c2ccc(C(=O)[O-])o2)C(=O)C1=O O=C([O-])[*:1] CCN1CCN(C(=O)C1=O)[C@H](C)c1ccc(o1)[*:1]
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 CC(C)(C)[*:1] C[C@H](Oc1cccc(c1)[*:1])C(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1
O=C(c1ccc2c(c1)OCCO2)N1CCC2=NN=C(c3ccccc3F)[C@@H]2C1 Fc1ccccc1[*:1] O=C(c1ccc2OCCOc2c1)N1CCC2=NN=C([C@@H]2C1)[*:1]
CCc1ccc([C@@H]([NH2+]CCC(=O)N2CCCC2)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@@H]([NH2+]CCC(=O)N1CCCC1)[*:1]
CCc1ccc([C@@H]([NH2+]CCC(=O)N2CCCC2)C(C)C)cc1 O=C(N1CCCC1)[*:1] CCc1ccc(cc1)[C@@H]([NH2+]CC[*:1])C(C)C
COc1cc(OC)c([C@@H]2C[C@H]2C(=O)[O-])c(OC)c1 O=C([O-])[*:1] COc1cc(OC)c(c(c1)OC)[C@@H]1C[C@@H]1[*:1]
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(c1ccc(c(O)c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(c2ccc(Cl)cc2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(c(O)c1)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
COCCc1ccc(OC(=O)c2cc3c(nc4sccn43)s2)cc1 COC[*:1] O=C(Oc1ccc(cc1)C[*:1])c1cc2c(nc3sccn32)s1
COCCc1ccc(OC(=O)c2cc3c(nc4sccn43)s2)cc1 COCC[*:1] O=C(Oc1ccc(cc1)[*:1])c1cc2c(nc3sccn32)s1
CCn1cc(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)cn1 CCn1cc(cn1)[*:1] c1ccc(cc1)-c1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
CCn1cc(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)C1CC[NH+](CC1)Cc1c[nH]nc1[*:1]
C[C@](NC(=O)CSCc1cccs1)(C(=O)[O-])C(F)(F)F c1csc(c1)[*:1] C[C@](NC(=O)CSC[*:1])(C(=O)[O-])C(F)(F)F
C[C@](NC(=O)CSCc1cccs1)(C(=O)[O-])C(F)(F)F c1csc(c1)C[*:1] C[C@](NC(=O)CS[*:1])(C(=O)[O-])C(F)(F)F
C[C@](NC(=O)CSCc1cccs1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](NC(=O)CSCc1cccs1)(C(=O)[O-])[*:1]
C[C@](NC(=O)CSCc1cccs1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@](NC(=O)CSCc1cccs1)(C(F)(F)F)[*:1]
COCCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(S(C)(=O)=O)ccc21 COCC[*:1] CC(=O)c1ccc(cc1)C(=O)/N=c1\sc2cc(ccc2n1[*:1])S(C)(=O)=O
COCCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(S(C)(=O)=O)ccc21 CC(=O)[*:1] COCCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cc(ccc21)S(C)(=O)=O
COCCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(S(C)(=O)=O)ccc21 CC(=O)c1ccc(cc1)[*:1] COCCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
COCCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(S(C)(=O)=O)ccc21 COC[*:1] CC(=O)c1ccc(cc1)C(=O)/N=c1\sc2cc(ccc2n1C[*:1])S(C)(=O)=O
COCCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] COCCn1/c(=N/C(=O)c2ccc(cc2)C(C)=O)sc2cc(ccc21)[*:1]
CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1 CC(C)C[*:1] C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1 CC(C)[*:1] C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(cc1)C[*:1]
Cc1csc(=O)n1CC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C Cc1csc(=O)n1[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C[*:1]
COC(=O)c1c(OCC[NH+]2CCCCC2)cc(=O)n2c1CCN(C(=O)[C@H]1CCOC(C)(C)C1)CC2 COC(=O)[*:1] CC1(C)C[C@H](CCO1)C(=O)N1CCc2c(c(cc(=O)n2CC1)OCC[NH+]1CCCCC1)[*:1]
COc1cccc(S(=O)(=O)/N=C(\[O-])CCn2cc(C)cn2)c1 Cc1cnn(c1)[*:1] COc1cccc(c1)S(=O)(=O)/N=C(\[O-])CC[*:1]
COc1cccc(S(=O)(=O)/N=C(\[O-])CCn2cc(C)cn2)c1 Cc1cnn(c1)C[*:1] COc1cccc(c1)S(=O)(=O)/N=C(\[O-])C[*:1]
C[C@@H](NC(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl)[*:1]
COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cc(Cl)ccc1F O=[N+]([O-])[*:1] COc1ccc(cc1OCC(=O)Nc1cc(Cl)ccc1F)[*:1]
COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cc(Cl)ccc1F Fc1ccc(Cl)cc1[*:1] COc1ccc(cc1OCC(=O)N[*:1])[N+](=O)[O-]
CC(C)CCC(=O)NNC(=O)c1cccc(CN2CCCC2=O)c1 CC(C)C[*:1] O=C(C[*:1])NNC(=O)c1cccc(c1)CN1CCCC1=O
CC(C)CCC(=O)NNC(=O)c1cccc(CN2CCCC2=O)c1 CC(C)[*:1] O=C(CC[*:1])NNC(=O)c1cccc(c1)CN1CCCC1=O
CC(C)CCC(=O)NNC(=O)c1cccc(CN2CCCC2=O)c1 CC(C)CC[*:1] O=C(NNC(=O)[*:1])c1cccc(c1)CN1CCCC1=O
CC(C)CCC(=O)NNC(=O)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] CC(C)CCC(=O)NNC(=O)c1cccc(c1)C[*:1]
CC(C)CCC(=O)NNC(=O)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] CC(C)CCC(=O)NNC(=O)c1cccc(c1)[*:1]
C[C@H](CCl)CS(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] C[C@H](CCl)CS(=O)(=O)[N-]c1cccc(c1)[*:1]
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)OC[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C1)C(=O)[*:1]
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C1)C(=O)CO[*:1]
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)O[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C1)C(=O)C[*:1]
COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] COc1ccc(c(c1)[*:1])[C@H](C)[NH2+][C@@H]1CCN(C1)C(C)=O
COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1ccc(c(c1)O[*:1])[C@H](C)[NH2+][C@@H]1CCN(C1)C(C)=O
COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c(OCc2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC[*:1])[C@H](C)[NH2+][C@@H]1CCN(C1)C(C)=O
CCCN(C)C(=O)c1cc2c(cc1Br)n(C)c(=O)n2C CCC[*:1] CN(C(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)[*:1]
COc1ccc(/C=C\C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)cc1F c1ccc(cc1)[*:1] COc1ccc(/C=C\C(=O)[C@@H](C#N)c2nnc(n2C)[*:1])cc1F
COc1ccc(/C=C\C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)cc1F COc1ccc(cc1F)[*:1] Cn1c(nnc1[C@H](C#N)C(=O)C=C[*:1])-c1ccccc1
CC[C@H]1CCCCN1C(=O)CNc1ccccc1C(=O)N1CCC[C@H](O)C1 O=C(N1CCC[C@H](O)C1)[*:1] CC[C@H]1CCCCN1C(=O)CNc1ccccc1[*:1]
CC[C@H]1CCc2c(sc(=O)n2CCn2cc(C#N)cn2)C1 N#Cc1cnn(c1)[*:1] CC[C@H]1CCc2c(C1)sc(=O)n2CC[*:1]
O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccncc1 O=C(C(F)(F)F)[*:1] O=C(NNC1CCCC=1[*:1])c1ccncc1
O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccncc1 c1cc(ccn1)[*:1] O=C(C1CCCC=1NNC(=O)[*:1])C(F)(F)F
O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccncc1 FC(F)(F)[*:1] O=C(NNC1CCCC=1C(=O)[*:1])c1ccncc1
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(F)cc1)N[*:1]
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(NC(=O)C[NH+]2CCN(CC2)[*:1])c(C)c1
C[C@H](Cc1ccsc1)NC(=O)c1cc2ccccc2c(=O)[nH]1 c1cc(cs1)[*:1] C[C@H](C[*:1])NC(=O)c1cc2ccccc2c(=O)[nH]1
C[C@H](Cc1ccsc1)NC(=O)c1cc2ccccc2c(=O)[nH]1 c1cc(cs1)C[*:1] C[C@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)[*:1]
CCN(Cc1cnc2ccc(Br)cn12)[C@H](C)CS(=O)(=O)CC CCS(=O)(=O)C[*:1] CCN(Cc1cnc2ccc(Br)cn12)[C@H](C)[*:1]
CCN(Cc1cnc2ccc(Br)cn12)[C@H](C)CS(=O)(=O)CC CCS(=O)(=O)[*:1] CCN(Cc1cnc2ccc(Br)cn12)[C@H](C)C[*:1]
CCc1ccc(C(C)(C)NC(=O)N[C@@H](C)CC(=O)NC(C)C)cc1 CCc1ccc(cc1)[*:1] CC(C)NC(=O)C[C@H](C)NC(=O)NC(C)(C)[*:1]
CCc1ccc(C(C)(C)NC(=O)N[C@@H](C)CC(=O)NC(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)N[C@@H](C)CC(=O)N[*:1]
CCc1ccc(C(C)(C)NC(=O)N[C@@H](C)CC(=O)NC(C)C)cc1 CC(C)NC(=O)C[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)N[C@@H](C)[*:1]
CCc1ccc(C(C)(C)NC(=O)N[C@@H](C)CC(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)N[C@@H](C)C[*:1]
CCC[NH2+][C@@H](C=C(C)C)c1ccn(C)n1 CC(C)=C[*:1] CCC[NH2+][C@@H](c1ccn(C)n1)[*:1]
CCC[NH2+][C@@H](C=C(C)C)c1ccn(C)n1 CCC[*:1] CC(C)=C[C@H]([NH2+][*:1])c1ccn(C)n1
O=C(CNC(=O)c1ccc(C(F)(F)F)nc1[O-])OCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(nc1[O-])C(F)(F)F)OC[*:1]
O=C(CNC(=O)c1ccc(C(F)(F)F)nc1[O-])OCc1ccccc1 FC(F)(F)[*:1] O=C(CNC(=O)c1ccc(nc1[O-])[*:1])OCc1ccccc1
O=C(CNC(=O)c1ccc(C(F)(F)F)nc1[O-])OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)c1ccc(nc1[O-])C(F)(F)F)O[*:1]
CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(Br)c1O CCO[*:1] O=c1[nH]c(nc2ccccc12)-c1cc(Br)c(O)c(c1)[*:1]
CCCN(CC(C)(C)C[NH3+])[C@H](C)C#N C[C@H](C#N)[*:1] CCCN(CC(C)(C)C[NH3+])[*:1]
CCCN(CC(C)(C)C[NH3+])[C@H](C)C#N CCC[*:1] C[C@H](C#N)N(CC(C)(C)C[NH3+])[*:1]
COc1ccccc1NC(=O)CSc1nccnc1N1CCN(c2ccccc2)CC1 COc1ccccc1[*:1] O=C(CSc1nccnc1N1CCN(CC1)c1ccccc1)N[*:1]
COc1ccccc1NC(=O)CSc1nccnc1N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)CSc1nccnc1N1CCN(CC1)[*:1]
Cc1cc([C@@H](N)CS(C)(=O)=O)sc1Br CS(=O)(=O)[*:1] Cc1cc(sc1Br)[C@@H](N)C[*:1]
Cc1ccn2nc(N3CC[NH2+]C[C@H]3C(=O)N(C)C)nc2c1 CN(C)C(=O)[*:1] Cc1ccn2nc(nc2c1)N1CC[NH2+]C[C@@H]1[*:1]
CCC[NH+]1CCCn2nc(CNC(=O)c3cccnc3SC)cc2C1 CCC[*:1] CSc1ncccc1C(=O)NCc1cc2C[NH+](CCCn2n1)[*:1]
CCC[NH+]1CCCn2nc(CNC(=O)c3cccnc3SC)cc2C1 CSc1ncccc1[*:1] CCC[NH+]1CCCn2nc(cc2C1)CNC(=O)[*:1]
Cn1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])c4cccnc34)C2)cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)N1CCC[C@H](C1)Nc1ccc(c2cccnc12)[*:1]
Cn1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])c4cccnc34)C2)cn1 Cn1cc(cn1)[*:1] O=[N+]([O-])c1ccc(N[C@@H]2CCCN(C2)[*:1])c2ncccc12
Cn1c(SCc2ccccc2F)nc(=O)c2c1NC(=O)C[C@@H]2c1ccc2c(c1)OCCO2 Fc1ccccc1[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@@H]2c1ccc2OCCOc2c1)SC[*:1]
Cn1c(SCc2ccccc2F)nc(=O)c2c1NC(=O)C[C@@H]2c1ccc2c(c1)OCCO2 Fc1ccccc1C[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@@H]2c1ccc2OCCOc2c1)S[*:1]
Cn1c(SCc2ccccc2F)nc(=O)c2c1NC(=O)C[C@@H]2c1ccc2c(c1)OCCO2 Fc1ccccc1CS[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@@H]2c1ccc2OCCOc2c1)[*:1]
Cn1c(SCc2ccccc2F)nc(=O)c2c1NC(=O)C[C@@H]2c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2[*:1])SCc1ccccc1F
O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)CCc2ccccc2)CC1)c1cccs1 c1csc(c1)[*:1] O=C(CCc1ccccc1)N1CCC(CC1)[C@@H](NC(=O)[*:1])C(=O)N1CCCC1
O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)CCc2ccccc2)CC1)c1cccs1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(CC1)C(=O)C[*:1])c1cccs1
O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)CCc2ccccc2)CC1)c1cccs1 c1ccc(cc1)CC[*:1] O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(CC1)C(=O)[*:1])c1cccs1
O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)CCc2ccccc2)CC1)c1cccs1 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(CC1)C(=O)CC[*:1])c1cccs1
O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)CCc2ccccc2)CC1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(CCc1ccccc1)N1CCC(CC1)[C@H](C(=O)N1CCCC1)[*:1]
O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)CCc2ccccc2)CC1)c1cccs1 O=C(N1CCCC1)[*:1] O=C(N[C@@H](C1CCN(CC1)C(=O)CCc1ccccc1)[*:1])c1cccs1
CCc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 O=[N+]([O-])[*:1] CCc1ccccc1NC(=O)Cn1cnc(n1)[*:1]
COc1cc(OC)c(NC(=O)NC[C@@H](C)C[C@H](C)O)cc1Cl C[C@H](O)C[*:1] COc1cc(OC)c(cc1Cl)NC(=O)NC[C@@H](C)[*:1]
COc1cc(OC)c(NC(=O)NC[C@@H](C)C[C@H](C)O)cc1Cl C[C@H](O)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)NC[C@@H](C)C[*:1]
Cc1ccc(-c2ccc(/C=C(\C#N)C3[NH+]=c4ccccc4=[NH+]3)o2)cc1C(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1[*:1])-c1ccc(/C=C(\C#N)C2[NH+]=c3ccccc3=[NH+]2)o1
N#C[C@H](C(=O)/C=C/c1sc2ccccc2c1Cl)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@H](C(=O)/C=C/c1sc2ccccc2c1Cl)[*:1]
O=C(Nc1cccnc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 c1cncc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O
O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])NC1CC[NH+](CC1)C[*:1]
O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccc2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CO[*:1])NC1CC[NH+](CC1)Cc1ccccc1
O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccc2)CC1 O=[N+]([O-])[*:1] O=C(COc1ccc(cc1)[*:1])NC1CC[NH+](CC1)Cc1ccccc1
O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])NC1CC[NH+](CC1)[*:1]
CC(C)Cc1ccc(CC(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)cc1 CC(C)C[*:1] O=C(Cc1ccc(cc1)[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
CC(C)Cc1ccc(CC(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)C[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
CC[C@@H](C(C)C)n1c(CCl)nc2cc(Br)cnc21 CC[C@@H](C(C)C)[*:1] ClCc1nc2cc(Br)cnc2n1[*:1]
CC[C@@H](C(C)C)n1c(CCl)nc2cc(Br)cnc21 CC(C)[*:1] CC[C@@H](n1c(CCl)nc2cc(Br)cnc21)[*:1]
O=C(C[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(C[NH+]1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)N[*:1]
O=C(C[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1cc(Cl)cc(Cl)c1 c1ccc2cc(ccc2c1)[*:1] O=C(C[NH+]1CCN(CC1)S(=O)(=O)[*:1])Nc1cc(Cl)cc(Cl)c1
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 CC[C@@H](C)O[*:1] O=C(NCc1ccncc1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 c1cc(ccn1)C[*:1] CC[C@@H](C)Oc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 c1cc(ccn1)[*:1] CC[C@@H](C)Oc1ccc(cc1)NC(=O)C(=O)NC[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 CC[C@@H](C)[*:1] O=C(NCc1ccncc1)C(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(C(=O)NCCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
O=C([O-])CC1(C[S@](=O)C[C@H]2Cc3ccccc3S2)CC1 O=C([O-])[*:1] O=[S@](C[C@H]1Cc2ccccc2S1)CC1(CC1)C[*:1]
O=C([O-])CC1(C[S@](=O)C[C@H]2Cc3ccccc3S2)CC1 O=C([O-])C[*:1] O=[S@](C[C@H]1Cc2ccccc2S1)CC1(CC1)[*:1]
CC(=O)NCCNC(=O)N1CCN(C)c2ccccc2C1 CC(=O)N[*:1] CN1CCN(Cc2ccccc21)C(=O)NCC[*:1]
CC(=O)NCCNC(=O)N1CCN(C)c2ccccc2C1 CC(=O)NCC[*:1] CN1CCN(Cc2ccccc21)C(=O)N[*:1]
CC(=O)NCCNC(=O)N1CCN(C)c2ccccc2C1 CC(=O)NC[*:1] CN1CCN(Cc2ccccc21)C(=O)NC[*:1]
Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc(C)n(C)n2)cc1 C1CO[C@H](C1)C[*:1] Cc1ccc(cc1)CCN(C(=O)c1cc(C)n(C)n1)[*:1]
Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc(C)n(C)n2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(nn1C)C(=O)N(C[C@H]1CCCO1)C[*:1]
Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc(C)n(C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(nn1C)C(=O)N(CC[*:1])C[C@H]1CCCO1
Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc(C)n(C)n2)cc1 Cc1cc(nn1C)[*:1] Cc1ccc(cc1)CCN(C[C@H]1CCCO1)C(=O)[*:1]
O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N[C@@H](c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(Cn1cnc2sc3CCCc3c2c1=O)N[C@@H](c1cccs1)[*:1]
O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N[C@@H](c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(Cn1cnc2sc3CCCc3c2c1=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@H](C#N)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 CC(C)[*:1] N#C[C@H](OC(=O)c1ccc(F)c(c1)S(=O)(=O)N1CCCC1)[*:1]
CC(C)[C@H](C#N)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] CC(C)[C@H](C#N)OC(=O)c1ccc(F)c(c1)[*:1]
Cc1ccc(S(=O)(=O)CCc2noc([C@H]3CCCO3)n2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(CCc1noc(n1)[C@H]1CCCO1)[*:1]
Cc1ccc(S(=O)(=O)CCc2noc([C@H]3CCCO3)n2)cc1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1)S(=O)(=O)CCc1noc(n1)[*:1]
CCCN(C(=O)c1ccc(=O)oc1)C1CCC([NH3+])CC1 CCC[*:1] [NH3+]C1CCC(CC1)N(C(=O)c1ccc(=O)oc1)[*:1]
COCCN1CCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1=O COCC[*:1] O=C(Nc1cccc(c1)-c1cccs1)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)Nc1cccc(c1)-c1cccs1
COCCN1CCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1=O c1csc(c1)[*:1] COCCN1CCN(CC1=O)C(=O)Nc1cccc(c1)[*:1]
NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 O=C(c1ccccc1)[*:1] NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 NC(=O)[*:1] O=C(c1ccccc1)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)[C@H](c1ccc(Cl)cc1)[*:1]
NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 c1ccc(cc1)[*:1] NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)[*:1]
NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 Clc1ccc(cc1)[*:1] NC(=O)[C@@H](N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)c1ccccc1)[*:1]
NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CC1)c1ccc(cc1[*:1])C(=O)c1ccccc1
CN(CC(C)(C)C)C(=O)c1ccc(F)c(Br)c1 CC(C)(C)C[*:1] CN(C(=O)c1ccc(F)c(Br)c1)[*:1]
CN(CC(C)(C)C)C(=O)c1ccc(F)c(Br)c1 CC(C)(C)[*:1] CN(C[*:1])C(=O)c1ccc(F)c(Br)c1
O=c1occ(C[NH+]2CCc3ccccc3C2)c([O-])c1CN1CC[NH+](C2CCOCC2)CC1 C1CC(CCO1)[*:1] O=c1occ(C[NH+]2CCc3ccccc3C2)c([O-])c1CN1CC[NH+](CC1)[*:1]
Cc1nc(CNC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)sc1C Cc1nc(C[*:1])sc1C O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)N[*:1]
Cc1nc(CNC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)sc1C Fc1ccc(cc1)[*:1] Cc1nc(CNC(=O)N[C@H](C(F)(F)F)[*:1])sc1C
Cc1nc(CNC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)sc1C Cc1nc(sc1C)[*:1] O=C(NC[*:1])N[C@H](c1ccc(F)cc1)C(F)(F)F
Cc1nc(CNC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)sc1C FC(F)(F)[*:1] Cc1nc(CNC(=O)N[C@H](c2ccc(F)cc2)[*:1])sc1C
Cc1cccc(C(=O)NCCCOC[C@@H]2CCCO2)c1O C1CO[C@@H](C1)[*:1] Cc1cccc(C(=O)NCCCOC[*:1])c1O
Cc1cccc(C(=O)NCCCOC[C@@H]2CCCO2)c1O C1CO[C@@H](C1)C[*:1] Cc1cccc(C(=O)NCCCO[*:1])c1O
Cc1cccc(C(=O)NCCCOC[C@@H]2CCCO2)c1O C1CO[C@@H](C1)CO[*:1] Cc1cccc(C(=O)NCCC[*:1])c1O
CNC(=O)c1ccc(CSCc2csc(C)n2)cc1 Cc1nc(cs1)[*:1] CNC(=O)c1ccc(cc1)CSC[*:1]
CNC(=O)c1ccc(CSCc2csc(C)n2)cc1 CNC(=O)[*:1] Cc1nc(cs1)CSCc1ccc(cc1)[*:1]
CCCOc1cccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)c1 CC(=O)[*:1] CCCOc1cccc(c1)[C@H]1C(=C(C)Nc2nc3ccccc3n21)[*:1]
CCCOc1cccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)c1 CCC[*:1] CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(c1)O[*:1]
CCCOc1cccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)c1 CCCO[*:1] CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(c1)[*:1]
O=C1C[C@@H](c2nn3c(C4CC4)nnc3s2)CN1Cc1cccnc1 C1CC1[*:1] O=C1C[C@H](CN1Cc1cccnc1)c1nn2c(nnc2s1)[*:1]
O=C1C[C@@H](c2nn3c(C4CC4)nnc3s2)CN1Cc1cccnc1 c1cncc(c1)[*:1] O=C1C[C@H](CN1C[*:1])c1nn2c(nnc2s1)C1CC1
O=C1C[C@@H](c2nn3c(C4CC4)nnc3s2)CN1Cc1cccnc1 c1cncc(c1)C[*:1] O=C1C[C@H](CN1[*:1])c1nn2c(nnc2s1)C1CC1
COc1ccc([C@@H](CNC(=O)c2nc(-c3ccccc3)oc2C)[NH+]2CCCCC2)cc1 COc1ccc(cc1)[*:1] Cc1oc(nc1C(=O)NC[C@@H]([NH+]1CCCCC1)[*:1])-c1ccccc1
COc1ccc([C@@H](CNC(=O)c2nc(-c3ccccc3)oc2C)[NH+]2CCCCC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1nc(oc1C)[*:1])[NH+]1CCCCC1
Cc1ccc(C(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 C1CC1[*:1] Cc1ccc(cc1)C(=O)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CCCn1c(C)nnc1CS(=O)(=O)Cc1ncc(-c2cccs2)o1 CCC[*:1] Cc1nnc(CS(=O)(=O)Cc2ncc(o2)-c2cccs2)n1[*:1]
CCCn1c(C)nnc1CS(=O)(=O)Cc1ncc(-c2cccs2)o1 c1csc(c1)[*:1] CCCn1c(C)nnc1CS(=O)(=O)Cc1ncc(o1)[*:1]
Cc1c(Cl)cc(NC(=O)N(C)C[C@@H]2CCOC2)cc1Cl C1C[C@H](CO1)[*:1] Cc1c(Cl)cc(cc1Cl)NC(=O)N(C)C[*:1]
Cc1c(Cl)cc(NC(=O)N(C)C[C@@H]2CCOC2)cc1Cl C1C[C@H](CO1)C[*:1] Cc1c(Cl)cc(cc1Cl)NC(=O)N(C)[*:1]
CC[C@H](NC(=O)NC[C@@H](O)c1ccncc1)c1cccc([N+](=O)[O-])c1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)NC[C@@H](O)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)NC[C@@H](O)c1ccncc1)c1cccc([N+](=O)[O-])c1 O[C@@H](c1ccncc1)[*:1] CC[C@H](NC(=O)NC[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)NC[C@@H](O)c1ccncc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)NC[C@@H](O)c1ccncc1)c1cccc(c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)COC(=O)/C=C/c2nc3ccccc3s2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)COC(=O)/C=C/c1nc2ccccc2s1)[*:1]
Cc1ccc([C@@H](C)NC(=O)COC(=O)/C=C/c2nc3ccccc3s2)cc1C c1ccc2sc(nc2c1)[*:1] Cc1ccc(cc1C)[C@@H](C)NC(=O)COC(=O)C=C[*:1]
O=C(CN1C(=O)CCc2ccccc21)N1CCC(N2CCOC2=O)CC1 O=C1OCCN1[*:1] O=C(CN1C(=O)CCc2ccccc21)N1CCC(CC1)[*:1]
CCOc1ccccc1C1=N/C(=C/c2csc(C3CC3)n2)C(=O)O1 c1sc(nc1[*:1])C1CC1 CCOc1ccccc1C1=NC(=C[*:1])C(=O)O1
CCOc1ccccc1C1=N/C(=C/c2csc(C3CC3)n2)C(=O)O1 CCO[*:1] O=C1OC(=N/C1=C/c1csc(n1)C1CC1)c1ccccc1[*:1]
CCOc1ccccc1C1=N/C(=C/c2csc(C3CC3)n2)C(=O)O1 C1CC1[*:1] CCOc1ccccc1C1=N/C(=C/c2csc(n2)[*:1])C(=O)O1
Cc1cccc(CN(C(=O)c2cccc(N3CCNC3=O)c2)C(C)C)c1 Cc1cccc(c1)C[*:1] CC(C)N(C(=O)c1cccc(c1)N1CCNC1=O)[*:1]
Cc1cccc(CN(C(=O)c2cccc(N3CCNC3=O)c2)C(C)C)c1 O=C1NCCN1[*:1] Cc1cccc(c1)CN(C(=O)c1cccc(c1)[*:1])C(C)C
Cc1cccc(CN(C(=O)c2cccc(N3CCNC3=O)c2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)CN(C(=O)c1cccc(c1)N1CCNC1=O)[*:1]
Cc1cccc(CN(C(=O)c2cccc(N3CCNC3=O)c2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)N(C[*:1])C(=O)c1cccc(c1)N1CCNC1=O
Cc1n[nH]c(C)c1NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl Cc1n[nH]c(C)c1[*:1] O=C(/C=C/c1cc(ccc1Cl)C(F)(F)F)N[*:1]
Cc1n[nH]c(C)c1NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] Cc1n[nH]c(C)c1NC(=O)/C=C/c1cc(ccc1Cl)[*:1]
CSc1sc(I)cc1/C=N/N(C)S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CSc1sc(I)cc1/C=N/N(C)S(=O)(=O)[*:1]
O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CSCN1C(=O)C1CCCC1 FC(F)(F)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])[C@H]1CSCN1C(=O)C1CCCC1
O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CSCN1C(=O)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1ccc(F)c(c1)C(F)(F)F)[C@H]1CSCN1C(=O)[*:1]
C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H](NC(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[C@H](C)[*:1]
COc1ccc([C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)N2CCOCC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(c1ccccc1)N1C[C@@H](C(=O)N2CCOCC2)[C@@H](C1)[*:1]
COc1ccc([C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)N2CCOCC2)c(OC)c1 O=C(N1CCOCC1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1ccccc1
COc1ccc([C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)N2CCOCC2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CN(C[C@H]1C(=O)N1CCOCC1)C(=O)[*:1]
FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2CCCN1CCOCC1 C(CN1CCOCC1)C[*:1] FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2[*:1]
FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2CCCN1CCOCC1 C1CN(CCO1)C[*:1] FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2CC[*:1]
FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2CCCN1CCOCC1 FC(F)(F)[*:1] c1ccc(cc1)-c1nc2cc(ccc2n1CCCN1CCOCC1)[*:1]
FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2CCCN1CCOCC1 c1ccc(cc1)[*:1] FC(F)(F)c1ccc2c(c1)nc(n2CCCN1CCOCC1)[*:1]
FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2CCCN1CCOCC1 C1CN(CCO1)[*:1] FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2CCC[*:1]
FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2CCCN1CCOCC1 C1CN(CCO1)CC[*:1] FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2C[*:1]
COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(C[NH2+][C@@H](C)c2cccc(c2)[*:1])c(c1)OC
Cc1cc(C)n(CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 Cc1cc(C)n(n1)[*:1] O=S(=O)(c1ccc(Cl)s1)N1CCC(CC1)C[*:1]
Cc1cc(C)n(CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 Clc1ccc(s1)[*:1] Cc1cc(C)n(CC2CCN(CC2)S(=O)(=O)[*:1])n1
CCCCN(C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)[*:1] CCCCN(C(=O)c1cc(Cl)c2OCCCOc2c1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCCCN(C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)C[*:1] CCCCN(C(=O)c1cc(Cl)c2OCCCOc2c1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCCCN(C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CCCC[*:1] CC(C)Cn1c(N)c(c(=O)[nH]c1=O)N(C(=O)c1cc(Cl)c2OCCCOc2c1)[*:1]
CCCCN(C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CCC[*:1] CC(C)Cn1c(N)c(c(=O)[nH]c1=O)N(C[*:1])C(=O)c1cc(Cl)c2OCCCOc2c1
O=C(/C=C/c1csc(-c2ccco2)n1)c1cc(F)cc(F)c1 c1coc(c1)[*:1] O=C(/C=C/c1csc(n1)[*:1])c1cc(F)cc(F)c1
CCc1nnc(SCC(=O)NNC(=O)COC)n1N COC[*:1] CCc1nnc(SCC(=O)NNC(=O)[*:1])n1N
C[C@H](CCN1CCOCC1)NC(=O)Cn1c(C2CC2)nc2ccccc21 C1CC1[*:1] C[C@H](CCN1CCOCC1)NC(=O)Cn1c(nc2ccccc21)[*:1]
C[C@H](CCN1CCOCC1)NC(=O)Cn1c(C2CC2)nc2ccccc21 C1CN(CCO1)C[*:1] C[C@H](C[*:1])NC(=O)Cn1c(nc2ccccc21)C1CC1
C[C@H](CCN1CCOCC1)NC(=O)Cn1c(C2CC2)nc2ccccc21 C1CN(CCO1)[*:1] C[C@H](CC[*:1])NC(=O)Cn1c(nc2ccccc21)C1CC1
C[C@H](CCN1CCOCC1)NC(=O)Cn1c(C2CC2)nc2ccccc21 C1CN(CCO1)CC[*:1] C[C@H](NC(=O)Cn1c(nc2ccccc21)C1CC1)[*:1]
CCC[C@@H](CC)[NH2+]C[C@H]1COc2ccccc21 CCC[*:1] CC[C@@H]([NH2+]C[C@H]1COc2ccccc21)[*:1]
CCc1c(C(=O)O[C@H](C)Cn2cccn2)nnn1-c1cccc(Cl)c1 c1cnn(c1)C[*:1] CCc1c(nnn1-c1cccc(Cl)c1)C(=O)O[C@H](C)[*:1]
CCc1c(C(=O)O[C@H](C)Cn2cccn2)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1c(nnn1[*:1])C(=O)O[C@H](C)Cn1cccn1
CCc1c(C(=O)O[C@H](C)Cn2cccn2)nnn1-c1cccc(Cl)c1 c1cnn(c1)[*:1] CCc1c(nnn1-c1cccc(Cl)c1)C(=O)O[C@H](C)C[*:1]
CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCN(Cc2cccnc2)CC1 CC(C)[*:1] c1cncc(c1)CN1CCC(CC1)[NH2+]C[C@H]1CCCO[C@H]1[*:1]
CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCN(Cc2cccnc2)CC1 c1cncc(c1)C[*:1] CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCN(CC1)[*:1]
CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCN(Cc2cccnc2)CC1 c1cncc(c1)[*:1] CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCN(CC1)C[*:1]
CS[C@@H](C)C(=O)Nc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] CS[C@@H](C)C(=O)Nc1ccc(nc1)[*:1]
CS[C@@H](C)C(=O)Nc1ccc(-n2ccnc2)nc1 CS[C@@H](C)[*:1] O=C(Nc1ccc(nc1)-n1ccnc1)[*:1]
O=C(NC(=S)[C@H]1CCCCC1=O)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NC(=S)[C@H]1CCCCC1=O)c1cn(nc1-c1ccccc1)[*:1]
O=C(NC(=S)[C@H]1CCCCC1=O)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NC(=S)[C@H]1CCCCC1=O)c1cn(nc1[*:1])-c1ccccc1
CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1sc2CCCCCc2c1C#N
COC(=O)c1cn(C[C@H](O)c2cccs2)nn1 COC(=O)[*:1] O[C@@H](Cn1cc(nn1)[*:1])c1cccs1
COC(=O)c1cn(C[C@H](O)c2cccs2)nn1 c1csc(c1)[*:1] COC(=O)c1cn(C[C@H](O)[*:1])nn1
CCNC(=O)Cn1cccc(C(F)(F)F)c1=O FC(F)(F)[*:1] CCNC(=O)Cn1cccc(c1=O)[*:1]
CCNC(=O)Cn1cccc(C(F)(F)F)c1=O CCNC(=O)[*:1] O=c1c(cccn1C[*:1])C(F)(F)F
Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 CC(C)(C)[*:1] Cc1ccc2cc(c(=O)[nH]c2c1)[C@@H](c1nnnn1[*:1])N1CCN(CC1)Cc1ccccc1
Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 c1ccc(cc1)C[*:1] Cc1ccc2cc(c(=O)[nH]c2c1)[C@@H](c1nnnn1C(C)(C)C)N1CCN(CC1)[*:1]
Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 CC(C)(C)n1nnnc1[*:1] Cc1ccc2cc(c(=O)[nH]c2c1)[C@@H](N1CCN(CC1)Cc1ccccc1)[*:1]
Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 c1ccc(cc1)[*:1] Cc1ccc2cc(c(=O)[nH]c2c1)[C@@H](c1nnnn1C(C)(C)C)N1CCN(CC1)C[*:1]
C/C(CC(N)=O)=N/NC(=O)c1cccs1 NC(=O)[*:1] C/C(C[*:1])=N/NC(=O)c1cccs1
C/C(CC(N)=O)=N/NC(=O)c1cccs1 NC(=O)C[*:1] CC(=NNC(=O)c1cccs1)[*:1]
C/C(CC(N)=O)=N/NC(=O)c1cccs1 c1csc(c1)[*:1] C/C(CC(N)=O)=N/NC(=O)[*:1]
COc1ccc([C@H]2CCN(C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2)cc1 COc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N1CC[C@@H](C1)[*:1])C[NH+]1CCN(C)CC1
CCn1ccc(C(=O)N2CCC[C@@]2(C)C(=O)N2CCOCC2)n1 CCn1ccc(n1)[*:1] C[C@]1(CCCN1C(=O)[*:1])C(=O)N1CCOCC1
C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc2c(c1)OCCO2 Fc1ccc(cc1)C[*:1] C[C@@H](NC(=O)C[*:1])c1ccc2OCCOc2c1
C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc2OCCOc2c1
O=C(c1ccoc1)N1CCCN(C(=O)[C@H]2NCCc3[nH]c[nH+]c32)CC1 c1cc(co1)[*:1] O=C([C@H]1NCCc2[nH]c[nH+]c21)N1CCCN(CC1)C(=O)[*:1]
NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] NC(=O)c1cc2cc(F)ccc2nc1C1CCN(CC1)C(=O)[*:1]
NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)C2CC2)CC1 NC(=O)[*:1] O=C(C1CC1)N1CCC(CC1)c1nc2ccc(F)cc2cc1[*:1]
CC(C)COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1C#N N#Cc1ccccc1[*:1] CC(C)COc1ccc(Br)cc1C(=O)NC(=S)N[*:1]
CC(C)COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1C#N CC(C)C[*:1] N#Cc1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1O[*:1]
CC(C)COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1C#N CC(C)CO[*:1] N#Cc1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1[*:1]
CC(C)COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1C#N CC(C)[*:1] N#Cc1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1OC[*:1]
CC(C)C1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 CC(C)[*:1] NC(=O)c1cccc(c1)C[NH+]1CCC(CC1)[*:1]
CC(C)C1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 NC(=O)[*:1] CC(C)C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
Cc1ccc(-c2cc(C(=O)[O-])ccc2F)cc1O O=C([O-])[*:1] Cc1ccc(cc1O)-c1cc(ccc1F)[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)nc1C COc1ccc(C(=O)[*:1])c(C)c1 COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C([C@@H]1c1ccc(O)cc1)[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)nc1C COc1ccc(c(C)c1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(O)cc1
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)nc1C COC(=O)c1sc(nc1C)[*:1] COc1ccc(C(=O)C2=C([O-])C(=O)N([C@H]2c2ccc(O)cc2)[*:1])c(C)c1
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)nc1C COC(=O)[*:1] COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(s3)[*:1])[C@H]2c2ccc(O)cc2)c(C)c1
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(O)cc2)nc1C Oc1ccc(cc1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2C)OC)[C@H]1[*:1]
Fc1ccc([C@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)cc1F c1ccc(cc1)[*:1] Fc1ccc(cc1F)[C@H]1CN(CCO1)Cc1c[nH]nc1[*:1]
Fc1ccc([C@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)cc1F Fc1ccc(cc1F)[*:1] c1ccc(cc1)-c1n[nH]cc1CN1CCO[C@H](C1)[*:1]
C[C@H]1CN(C(=O)COc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)COc1cccc(c1)[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)c1ccco1 C[C@@H](c1ccco1)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)c1ccco1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N(C)[C@@H](C)c1ccco1
COCC[C@@H](C)NC(=O)NCC1([NH+](C)C)CCOCC1 COCC[*:1] C[C@@H](NC(=O)NCC1(CCOCC1)[NH+](C)C)[*:1]
COCC[C@@H](C)NC(=O)NCC1([NH+](C)C)CCOCC1 COCC[C@@H](C)[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)N[*:1]
COCC[C@@H](C)NC(=O)NCC1([NH+](C)C)CCOCC1 COC[*:1] C[C@H](C[*:1])NC(=O)NCC1(CCOCC1)[NH+](C)C
CCCN(C[C@H]1CCCCO1)C(=O)c1c(C)c(C)n[nH]c1=O C1CC[C@@H](OC1)[*:1] CCCN(C[*:1])C(=O)c1c(C)c(C)n[nH]c1=O
CCCN(C[C@H]1CCCCO1)C(=O)c1c(C)c(C)n[nH]c1=O C1CC[C@H](C[*:1])OC1 CCCN(C(=O)c1c(C)c(C)n[nH]c1=O)[*:1]
CCCN(C[C@H]1CCCCO1)C(=O)c1c(C)c(C)n[nH]c1=O CCC[*:1] Cc1n[nH]c(=O)c(C(=O)N(C[C@H]2CCCCO2)[*:1])c1C
Cn1c(CSc2nc3c(cc2C#N)CCCC3)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(CSc2nc3CCCCc3cc2C#N)nnc1[*:1]
COC[C@@H](NC(=O)NCC(C)(C)[NH+](C)C)c1ccc(F)c(F)c1 COC[*:1] C[NH+](C)C(C)(C)CNC(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
CC/[NH+]=C(/NCC(C)C)N[C@H]1CC[C@H](SC)C1 CC(C)C[*:1] CC/[NH+]=C(\N[C@H]1CC[C@@H](C1)SC)N[*:1]
CC/[NH+]=C(/NCC(C)C)N[C@H]1CC[C@H](SC)C1 CC(C)[*:1] CC/[NH+]=C(/NC[*:1])N[C@H]1CC[C@@H](C1)SC
C[C@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F c1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1cc(ccc1OC(F)F)[N+](=O)[O-])[*:1]
C[C@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F FC(F)[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1cc(ccc1O[*:1])[N+](=O)[O-]
C[C@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1cc(ccc1OC(F)F)[N+](=O)[O-]
C[C@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F FC(F)O[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1cc(ccc1[*:1])[N+](=O)[O-]
C[C@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F O=[N+]([O-])[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1cc(ccc1OC(F)F)[*:1]
C[C@H](CC#N)N(C)C[C@@H]1CSc2ccccc21 C[C@H](CC#N)[*:1] CN(C[C@@H]1CSc2ccccc21)[*:1]
C[C@H](CC#N)N(C)C[C@@H]1CSc2ccccc21 N#CC[*:1] C[C@H](N(C)C[C@@H]1CSc2ccccc21)[*:1]
COC(=O)C1(NC(=O)c2ccc(SC)nc2)CCCC1 COC(=O)[*:1] CSc1ccc(cn1)C(=O)NC1(CCCC1)[*:1]
O=C(NC1CCCCC1)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@H](Sc1nc2ccccc2[nH]1)[*:1]
O=C(NC1CCCCC1)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1
CCSc1ccccc1C(=O)NCc1nc(C)no1 Cc1noc(n1)[*:1] CCSc1ccccc1C(=O)NC[*:1]
CCSc1ccccc1C(=O)NCc1nc(C)no1 CCS[*:1] Cc1noc(CNC(=O)c2ccccc2[*:1])n1
CC(=O)Nc1ccc(/C=C/C2=NC(=O)C3=C(CC(C)C)CSC3=N2)cc1 CC(=O)N[*:1] CC(C)CC1CSC2=NC(/C=C/c3ccc(cc3)[*:1])=NC(=O)C=12
CC(=O)Nc1ccc(/C=C/C2=NC(=O)C3=C(CC(C)C)CSC3=N2)cc1 CC(C)C[*:1] CC(=O)Nc1ccc(/C=C/C2=NC(=O)C3C(=N2)SCC=3[*:1])cc1
CC(=O)Nc1ccc(/C=C/C2=NC(=O)C3=C(CC(C)C)CSC3=N2)cc1 CC(C)[*:1] CC(=O)Nc1ccc(/C=C/C2=NC(=O)C3C(=N2)SCC=3C[*:1])cc1
O=C(Cc1cn2ccsc2n1)N[C@@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(Cc1cn2ccsc2n1)N[C@@H]1C=C[C@H](C1)[*:1]
CC(C)C[C@H](C)CC(=O)[C@H](C#N)c1ccc(F)cn1 CC(C)C[C@H](C)[*:1] N#C[C@@H](C(=O)C[*:1])c1ccc(F)cn1
CC(C)C[C@H](C)CC(=O)[C@H](C#N)c1ccc(F)cn1 CC(C)[*:1] C[C@H](CC(=O)[C@H](C#N)c1ccc(F)cn1)C[*:1]
CC(C)C[C@H](C)CC(=O)[C@H](C#N)c1ccc(F)cn1 CC(C)C[*:1] C[C@H](CC(=O)[C@H](C#N)c1ccc(F)cn1)[*:1]
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@H](C(N)=O)c1cccc(Br)c1 NC(=O)[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@H](c1cccc(Br)c1)[*:1]
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@H](C(N)=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@H](C(N)=O)[*:1]
COc1coc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1=O c1cc(ccn1)[*:1] COc1coc(cc1=O)C(=O)Nc1nc(cs1)[*:1]
CC(C)C[C@@H]1CCCCCN1C(=O)CN1C(=O)NC(=O)C1(C)C CC(C)C[*:1] CC1(C)C(=O)NC(=O)N1CC(=O)N1CCCCC[C@H]1[*:1]
CC(C)C[C@@H]1CCCCCN1C(=O)CN1C(=O)NC(=O)C1(C)C CC(C)[*:1] CC1(C)C(=O)NC(=O)N1CC(=O)N1CCCCC[C@H]1C[*:1]
C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1cccc(N2CCCC2)c1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@H](O)[*:1])c1cccc(c1)N1CCCC1
C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1cccc(N2CCCC2)c1 O[C@H](c1ccccc1)[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)N1CCCC1
CC(C)[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Cl)c1ccccc1 CC(C)[*:1] O=C(Nc1cc(F)ccc1Cl)C(=O)N[C@H](c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Cl)c1ccccc1 Fc1ccc(Cl)c(c1)[*:1] CC(C)[C@H](NC(=O)C(=O)N[*:1])c1ccccc1
CC(C)[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Cl)[*:1]
COc1ccc([N+](=O)[O-])cc1NCc1cc(OC)c2c(c1)OCO2 O=[N+]([O-])[*:1] COc1ccc(cc1NCc1cc(OC)c2OCOc2c1)[*:1]
COc1ccc(F)c(NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 COc1ccc(F)c(c1)[*:1] O=C(NC1CCC(CC1)[NH+]1CCCCC1)C(=O)N[*:1]
CC(C)S(=O)(=O)CCCn1cc(Br)ccc1=O CC(C)[*:1] O=c1ccc(Br)cn1CCCS(=O)(=O)[*:1]
COCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 COC[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1ccc(Cl)cc1Cl
COCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 COCC[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1ccc(Cl)cc1Cl
NC(=O)c1cccc(CNC(=O)C[C@@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] NC(=O)c1cccc(c1)CNC(=O)C[C@@H](O)[*:1]
NC(=O)c1cccc(CNC(=O)C[C@@H](O)c2ccccc2)c1 NC(=O)[*:1] O=C(C[C@@H](O)c1ccccc1)NCc1cccc(c1)[*:1]
CCOc1ccc([C@H](C)NC(=O)c2ccc(F)cc2F)cc1 CCO[*:1] C[C@H](NC(=O)c1ccc(F)cc1F)c1ccc(cc1)[*:1]
CCCC(CO)(CO)C[C@H]1Cc2cc(F)ccc2O1 CCC[*:1] OCC(CO)(C[C@H]1Cc2cc(F)ccc2O1)[*:1]
O=C(COc1ccccn1)NC1CC[NH+](Cc2cccnc2)CC1 c1ccc(nc1)OC[*:1] O=C(NC1CC[NH+](CC1)Cc1cccnc1)[*:1]
O=C(COc1ccccn1)NC1CC[NH+](Cc2cccnc2)CC1 c1ccc(nc1)[*:1] O=C(CO[*:1])NC1CC[NH+](CC1)Cc1cccnc1
O=C(COc1ccccn1)NC1CC[NH+](Cc2cccnc2)CC1 c1cncc(c1)C[*:1] O=C(COc1ccccn1)NC1CC[NH+](CC1)[*:1]
O=C(COc1ccccn1)NC1CC[NH+](Cc2cccnc2)CC1 c1ccc(nc1)O[*:1] O=C(C[*:1])NC1CC[NH+](CC1)Cc1cccnc1
O=C(COc1ccccn1)NC1CC[NH+](Cc2cccnc2)CC1 c1cncc(c1)[*:1] O=C(COc1ccccn1)NC1CC[NH+](CC1)C[*:1]
OC1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 FC(F)O[*:1] OC1CCC(CC1)[NH2+]Cc1ccc(cc1)[*:1]
OC1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 FC(F)[*:1] OC1CCC(CC1)[NH2+]Cc1ccc(cc1)O[*:1]
CN(C)C(=O)c1ccc(N[C@@](C)(CO)C2CC2)nc1 C1CC1[*:1] CN(C)C(=O)c1ccc(nc1)N[C@@](C)(CO)[*:1]
CN(C)C(=O)c1ccc(N[C@@](C)(CO)C2CC2)nc1 CN(C)C(=O)[*:1] C[C@@](CO)(Nc1ccc(cn1)[*:1])C1CC1
CC(C)C[C@H](NC(=O)c1cccc(C#N)c1)C(=O)OC(C)C CC(C)[*:1] CC(C)OC(=O)[C@H](C[*:1])NC(=O)c1cccc(C#N)c1
CC(C)C[C@H](NC(=O)c1cccc(C#N)c1)C(=O)OC(C)C CC(C)[*:1] CC(C)C[C@H](NC(=O)c1cccc(C#N)c1)C(=O)O[*:1]
CC(C)C[C@H](NC(=O)c1cccc(C#N)c1)C(=O)OC(C)C CC(C)OC(=O)[*:1] CC(C)C[C@H](NC(=O)c1cccc(C#N)c1)[*:1]
CC(C)C[C@H](NC(=O)c1cccc(C#N)c1)C(=O)OC(C)C CC(C)C[*:1] CC(C)OC(=O)[C@@H](NC(=O)c1cccc(C#N)c1)[*:1]
C[C@@H](NC(=O)CN1CCN(c2ccc(O)cc2)CC1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)CN1CCN(CC1)c1ccc(O)cc1)[*:1]
C[C@@H](NC(=O)CN1CCN(c2ccc(O)cc2)CC1)c1ccccc1Cl Oc1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1CCN(CC1)[*:1])c1ccccc1Cl
CCCC(=O)NCCOc1ccc2nnc(-c3ccccc3)n2n1 c1ccc(cc1)[*:1] CCCC(=O)NCCOc1ccc2nnc(n2n1)[*:1]
CCCC(=O)NCCOc1ccc2nnc(-c3ccccc3)n2n1 CCCC(=O)NCC[*:1] c1ccc(cc1)-c1nnc2ccc(nn12)O[*:1]
CCCC(=O)NCCOc1ccc2nnc(-c3ccccc3)n2n1 CCCC(=O)NC[*:1] c1ccc(cc1)-c1nnc2ccc(nn12)OC[*:1]
CCCC(=O)NCCOc1ccc2nnc(-c3ccccc3)n2n1 CCC[*:1] O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)[*:1]
CCCC(=O)NCCOc1ccc2nnc(-c3ccccc3)n2n1 CCCC(=O)N[*:1] c1ccc(cc1)-c1nnc2ccc(nn12)OCC[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 O=C(N[*:1])c1ccccc1 CC[C@@H](C)[C@@H](C(=O)Nc1ccc2NC(=O)Cc2c1)[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 CC[C@@H](C)[*:1] O=C1Cc2cc(ccc2N1)NC(=O)[C@H](NC(=O)c1ccccc1)[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](NC(=O)[*:1])C(=O)Nc1ccc2NC(=O)Cc2c1
C[C@@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)c1ccc(Cl)s1 NC(=O)[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)C[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)c1ccc(Cl)s1 NC(=O)C[*:1] C[C@@H](NC(=O)N1CCC[C@H](C1)[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)NCC(=O)N3CCCCC3)c2)n1 O=C(C[*:1])N1CCCCC1 CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)N[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)NCC(=O)N3CCCCC3)c2)n1 CCc1noc(n1)[*:1] Cc1ccc(cc1NC(=O)NCC(=O)N1CCCCC1)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)NCC(=O)N3CCCCC3)c2)n1 O=C(N1CCCCC1)[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)NC[*:1]
Cn1cc(C[C@H]2CCN(c3ccc(Br)cn3)C2)cn1 Cn1cc(cn1)[*:1] Brc1ccc(nc1)N1CC[C@@H](C1)C[*:1]
C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] C[C@@H](c1nc(no1)-c1ccccc1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2cccs2)CC1 c1ccc(cc1)[*:1] C[C@@H](c1nc(no1)[*:1])N1CCN(CC1)C(=O)c1cccs1
C[C@H]1CCC[C@@H](OCC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1 C[C@H]1CCC[C@@H](C1)[*:1] O=C(CO[*:1])N[C@@H]1c2ccccc2C[C@@H]1O
COc1cccc(C(=O)N(C)Cc2ccoc2C)c1F Cc1occc1[*:1] COc1cccc(C(=O)N(C)C[*:1])c1F
COc1cccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)[C@@H]1CN(C[C@@H]1C(=O)NC[*:1])C(=O)c1cccc(Cl)c1
COc1cccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 Clc1cccc(c1)[*:1] COc1cccc(c1)[C@@H]1CN(C[C@@H]1C(=O)NCc1ccc2OCOc2c1)C(=O)[*:1]
COc1cccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1C[*:1] COc1cccc(c1)[C@@H]1CN(C[C@@H]1C(=O)N[*:1])C(=O)c1cccc(Cl)c1
COc1cccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 COc1cccc(c1)[*:1] O=C(NCc1ccc2OCOc2c1)[C@H]1CN(C[C@H]1[*:1])C(=O)c1cccc(Cl)c1
C/[NH+]=C(/NCc1cc(C(C)C)no1)N1CCN(C(=O)[C@H]2CCCO2)CC1 CC(C)[*:1] C/[NH+]=C(/NCc1cc(no1)[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
C/[NH+]=C(/NCc1cc(C(C)C)no1)N1CCN(C(=O)[C@H]2CCCO2)CC1 CC(C)c1cc(on1)[*:1] C/[NH+]=C(/NC[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
C/[NH+]=C(/NCc1cc(C(C)C)no1)N1CCN(C(=O)[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] C/[NH+]=C(/NCc1cc(no1)C(C)C)N1CCN(CC1)C(=O)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2Oc3ccccc3[C@H]2C)C1 CCNS(=O)(=O)[*:1] C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CC[C@@H](C1)[*:1]
CCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1ccnn1C Cn1nccc1[*:1] CCCC[C@H]1CN(C(=O)CN1C(=O)[*:1])c1ccccc1OC
CCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1ccnn1C CCC[*:1] COc1ccccc1N1C[C@H](C[*:1])N(CC1=O)C(=O)c1ccnn1C
CCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1ccnn1C COc1ccccc1[*:1] CCCC[C@H]1CN(C(=O)CN1C(=O)c1ccnn1C)[*:1]
CCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1ccnn1C CCCC[*:1] COc1ccccc1N1C[C@@H](N(CC1=O)C(=O)c1ccnn1C)[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)c1cc2c(C(C)C)nn(C)c2s1 CC(C)[*:1] CC(C)CC[C@@](C)(O)CNC(=O)c1cc2c(nn(C)c2s1)[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)c1cc2c(C(C)C)nn(C)c2s1 CC(C)CC[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)NC[C@@](C)(O)[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)c1cc2c(C(C)C)nn(C)c2s1 CC(C)C[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)NC[C@](C)(O)C[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)c1cc2c(C(C)C)nn(C)c2s1 CC(C)CC[C@@](C)(O)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)NC[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)c1cc2c(C(C)C)nn(C)c2s1 CC(C)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)NC[C@](C)(O)CC[*:1]
O=C(C1CCN(c2ncnc3ccc(F)cc23)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] Fc1ccc2ncnc(c2c1)N1CCC(CC1)[*:1]
N#Cc1ccc(OCc2ccc(C(=O)NN)cn2)c(Cl)c1 NNC(=O)[*:1] N#Cc1ccc(OCc2ccc(cn2)[*:1])c(Cl)c1
CCn1nccc1/C=C/C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 CCn1nccc1[*:1] C[C@@H](NC(=O)C=C[*:1])c1ccc(cc1)-n1ccnc1
CCn1nccc1/C=C/C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CCn1nccc1/C=C/C(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc([C@H](O)CN2CCN(Cc3nccn3C(F)F)CC2)c(C)c1 FC(F)n1ccnc1[*:1] Cc1ccc(c(C)c1)[C@H](O)CN1CCN(CC1)C[*:1]
Cc1ccc([C@H](O)CN2CCN(Cc3nccn3C(F)F)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O[C@H](CN1CCN(CC1)Cc1nccn1C(F)F)[*:1]
Cc1ccc([C@H](O)CN2CCN(Cc3nccn3C(F)F)CC2)c(C)c1 FC(F)[*:1] Cc1ccc(c(C)c1)[C@H](O)CN1CCN(CC1)Cc1nccn1[*:1]
O=C(NC1(c2ccccc2)CC1)[C@H]1CC(Cc2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] O=C(NC1(CC1)c1ccccc1)[C@H]1CC(C[*:1])=NO1
O=C(NC1(c2ccccc2)CC1)[C@H]1CC(Cc2cccc(F)c2)=NO1 Fc1cccc(c1)C[*:1] O=C(NC1(CC1)c1ccccc1)[C@H]1CC(=NO1)[*:1]
O=C(NC1(c2ccccc2)CC1)[C@H]1CC(Cc2cccc(F)c2)=NO1 c1ccc(cc1)[*:1] O=C(NC1(CC1)[*:1])[C@H]1CC(Cc2cccc(F)c2)=NO1
C/C(=N\NC(=O)Cc1c(F)cccc1Cl)c1ccc(NC(=O)c2ccc(Br)o2)cc1 Fc1cccc(Cl)c1[*:1] C/C(=N\NC(=O)C[*:1])c1ccc(cc1)NC(=O)c1ccc(Br)o1
C/C(=N\NC(=O)Cc1c(F)cccc1Cl)c1ccc(NC(=O)c2ccc(Br)o2)cc1 O=C(N[*:1])c1ccc(Br)o1 C/C(=N\NC(=O)Cc1c(F)cccc1Cl)c1ccc(cc1)[*:1]
C/C(=N\NC(=O)Cc1c(F)cccc1Cl)c1ccc(NC(=O)c2ccc(Br)o2)cc1 Brc1ccc(o1)[*:1] C/C(=N\NC(=O)Cc1c(F)cccc1Cl)c1ccc(cc1)NC(=O)[*:1]
C/C(=N\NC(=O)Cc1c(F)cccc1Cl)c1ccc(NC(=O)c2ccc(Br)o2)cc1 Fc1cccc(Cl)c1C[*:1] C/C(=N\NC(=O)[*:1])c1ccc(cc1)NC(=O)c1ccc(Br)o1
NC(=O)[C@@H](NC(=O)NCc1cccs1)c1ccccc1 c1csc(c1)[*:1] NC(=O)[C@@H](NC(=O)NC[*:1])c1ccccc1
NC(=O)[C@@H](NC(=O)NCc1cccs1)c1ccccc1 NC(=O)[*:1] O=C(NCc1cccs1)N[C@@H](c1ccccc1)[*:1]
NC(=O)[C@@H](NC(=O)NCc1cccs1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)NCc1cccs1)[*:1]
NC(=O)[C@@H](NC(=O)NCc1cccs1)c1ccccc1 c1csc(c1)C[*:1] NC(=O)[C@@H](NC(=O)N[*:1])c1ccccc1
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccccc1F Fc1ccccc1[*:1] COc1ccc(C)cc1NC(=O)C(=O)NN=C[*:1]
CC(C)n1nnnc1Sc1ncccn1 CC(C)[*:1] c1cnc(nc1)Sc1nnnn1[*:1]
O=C(Cc1ccccc1Cl)NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 Clc1ccccc1[*:1] O=C(C[*:1])NCC[NH+]1CCC(O)(CC1)c1ccc(F)cc1
O=C(Cc1ccccc1Cl)NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Cc1ccccc1Cl)NCC[NH+]1CCC(O)(CC1)[*:1]
O=C(Cc1ccccc1Cl)NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 Clc1ccccc1C[*:1] O=C(NCC[NH+]1CCC(O)(CC1)c1ccc(F)cc1)[*:1]
CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(F)c3)CC2=O)cc1 Fc1cccc(c1)[*:1] CCOc1ccc(cc1)N1C[C@@H](CNS(=O)(=O)[*:1])CC1=O
CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(F)c3)CC2=O)cc1 CCOc1ccc(cc1)[*:1] O=C1C[C@H](CNS(=O)(=O)c2cccc(F)c2)CN1[*:1]
CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(F)c3)CC2=O)cc1 CCO[*:1] O=C1C[C@H](CNS(=O)(=O)c2cccc(F)c2)CN1c1ccc(cc1)[*:1]
Cc1ccc2cc(CN(Cc3cccs3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 Fc1ccc(cc1)[*:1] Cc1ccc2cc(CN(Cc3cccs3)C(=S)N[*:1])c(=O)[nH]c2c1
Cc1ccc2cc(CN(Cc3cccs3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 c1csc(c1)[*:1] Cc1ccc2cc(CN(C[*:1])C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1
Cc1ccc2cc(CN(Cc3cccs3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 c1csc(c1)C[*:1] Cc1ccc2cc(CN(C(=S)Nc3ccc(F)cc3)[*:1])c(=O)[nH]c2c1
CC(C)[C@@H](C#N)N1CCN(C(=O)COc2ccccc2F)CC1 CC(C)[*:1] N#C[C@@H](N1CCN(CC1)C(=O)COc1ccccc1F)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)COc2ccccc2F)CC1 Fc1ccccc1[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)CO[*:1]
Cc1cc([C@H](C)C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](C(=O)N1CC[C@]2(C1)NC(=O)NC2=O)[*:1]
Cc1ccc(S(=O)(=O)C[C@@H](C)N2CCC3(CC2)OCCO3)cc1 Cc1ccc(cc1)[*:1] C[C@H](CS(=O)(=O)[*:1])N1CCC2(CC1)OCCO2
CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 CNC(=O)[*:1] C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(cc2)[*:1])[C@@H]1C
CN(C)C(=S)SCC(=O)N1c2ccccc2NC(=O)C1(C)C CN(C)C(=S)SC[*:1] CC1(C)C(=O)Nc2ccccc2N1C(=O)[*:1]
CN(C)C(=S)SCC(=O)N1c2ccccc2NC(=O)C1(C)C CN(C)C(=S)S[*:1] CC1(C)C(=O)Nc2ccccc2N1C(=O)C[*:1]
Cc1sc2nc(S)n(Cc3cccs3)c(=O)c2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc2nc(S)n(Cc3cccs3)c(=O)c2c1[*:1]
Cc1sc2nc(S)n(Cc3cccs3)c(=O)c2c1-c1ccccc1 c1csc(c1)[*:1] Cc1sc2nc(S)n(C[*:1])c(=O)c2c1-c1ccccc1
Cc1sc2nc(S)n(Cc3cccs3)c(=O)c2c1-c1ccccc1 c1csc(c1)C[*:1] Cc1sc2nc(S)n(c(=O)c2c1-c1ccccc1)[*:1]
CC/C=C(/C)C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] CCC=C(C)[*:1] O=C([O-])[C@H]1CCCCC[C@@H]1NC(=O)[*:1]
CC/C=C(/C)C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC/C=C(/C)C(=O)N[C@H]1CCCCC[C@H]1[*:1]
O=C(C[C@H](O)c1cccc(F)c1)NCCNC(=O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(C[C@H](O)c1cccc(F)c1)NCCNC(=O)[*:1]
O=C(C[C@H](O)c1cccc(F)c1)NCCNC(=O)c1ccc(O)cc1 Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])NCCNC(=O)c1ccc(O)cc1
COc1ccc(NC(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@@]2(CCC(=O)N(CC[*:1])C2)C1
COc1ccc(NC(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)cc1 CC(C)CC[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
COc1ccc(NC(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)cc1 CC(C)C[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
COc1ccc(NC(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)cc1 COc1ccc(cc1)[*:1] CC(C)CCN1C[C@]2(CCCN(C2)C(=O)N[*:1])CCC1=O
O=C(NNC(=S)Nc1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccccc1F Fc1ccc(cc1)[*:1] O=C(NNC(=S)N[*:1])[C@@H]1C[C@@H]1c1ccccc1F
O=C(NNC(=S)Nc1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(NNC(=S)Nc1ccc(F)cc1)[C@@H]1C[C@H]1[*:1]
CCOC(=O)N1CCC(Nc2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)CC1 O=C(N1CCCC1)[*:1] CCOC(=O)N1CCC(CC1)Nc1nc(cs1)-c1c[nH]c(c1)[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3Cl)cc2)C[C@@H](C)O1 Fc1ccc(O[*:1])c(Cl)c1 C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3Cl)cc2)C[C@@H](C)O1 Fc1ccc(c(Cl)c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)NC(=O)CO[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3Cl)cc2)C[C@@H](C)O1 Fc1ccc(OC[*:1])c(Cl)c1 C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COC(=O)CC1=NC(S[C@@H](C)C#N)=NC(=O)C1 COC(=O)[*:1] C[C@@H](C#N)SC1N=C(CC(=O)N=1)C[*:1]
COC(=O)CC1=NC(S[C@@H](C)C#N)=NC(=O)C1 C[C@@H](C#N)[*:1] COC(=O)CC1CC(=O)N=C(N=1)S[*:1]
COC(=O)CC1=NC(S[C@@H](C)C#N)=NC(=O)C1 COC(=O)C[*:1] C[C@@H](C#N)SC1=NC(=O)CC(=N1)[*:1]
Cc1cc(NC(=O)[C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)no1 N#Cc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)[C@@H]([NH2+]C[*:1])c1ccccc1
Cc1cc(NC(=O)[C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@@H]([NH2+]Cc1cccc(C#N)c1)[*:1]
Cc1cc(NC(=O)[C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)no1 Cc1cc(no1)[*:1] N#Cc1cccc(c1)C[NH2+][C@H](C(=O)N[*:1])c1ccccc1
C[C@H](NC(=O)CN1C(=O)CNC1=O)c1nc(-c2cccnc2)no1 c1cncc(c1)[*:1] C[C@H](NC(=O)CN1C(=O)CNC1=O)c1nc(no1)[*:1]
C[C@H](NC(=O)CN1C(=O)CNC1=O)c1nc(-c2cccnc2)no1 O=C1CNC(=O)N1[*:1] C[C@H](NC(=O)C[*:1])c1nc(no1)-c1cccnc1
C[C@H](NC(=O)CN1C(=O)CNC1=O)c1nc(-c2cccnc2)no1 O=C1CNC(=O)N1C[*:1] C[C@H](NC(=O)[*:1])c1nc(no1)-c1cccnc1
O=C(C[N+]12CCN(CC1)CC2)N1N=C(c2ccco2)C[C@H]1c1cccs1 c1coc(c1)[*:1] O=C(C[N+]12CCN(CC1)CC2)N1N=C(C[C@H]1c1cccs1)[*:1]
O=C(C[N+]12CCN(CC1)CC2)N1N=C(c2ccco2)C[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(C[N+]12CCN(CC1)CC2)N1N=C(C[C@@H]1[*:1])c1ccco1
Cc1ccc2c(c1)[nH]c1c(N3CCC(C(N)=O)CC3)ncnc12 NC(=O)[*:1] Cc1ccc2c(c1)[nH]c1c(ncnc12)N1CCC(CC1)[*:1]
CCCc1c(C(=O)Nc2ccc(OCC)cc2)c(N)nc2c1c(=O)n(C)c(=O)n2C CCOc1ccc(cc1)[*:1] CCCc1c(C(=O)N[*:1])c(N)nc2c1c(=O)n(C)c(=O)n2C
CCCc1c(C(=O)Nc2ccc(OCC)cc2)c(N)nc2c1c(=O)n(C)c(=O)n2C CCO[*:1] CCCc1c(C(=O)Nc2ccc(cc2)[*:1])c(N)nc2c1c(=O)n(C)c(=O)n2C
CCCc1c(C(=O)Nc2ccc(OCC)cc2)c(N)nc2c1c(=O)n(C)c(=O)n2C CCC[*:1] CCOc1ccc(cc1)NC(=O)c1c(N)nc2c(c1[*:1])c(=O)n(C)c(=O)n2C
CCN(CC)S(=O)(=O)c1ccc(N2CCO[C@H](c3cccc(O)c3)C2)c([N+](=O)[O-])c1 CCN(CC)S(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1N1CCO[C@@H](C1)c1cccc(O)c1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(N2CCO[C@H](c3cccc(O)c3)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)[*:1])N1CCO[C@@H](C1)c1cccc(O)c1
CCN(CC)S(=O)(=O)c1ccc(N2CCO[C@H](c3cccc(O)c3)C2)c([N+](=O)[O-])c1 Oc1cccc(c1)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCO[C@H](C1)[*:1]
Cc1cc(N/N=C/[C@@H](O)[C@H](O)[C@H](O)CO)nc2ccccc12 OC[C@@H](O)[*:1] Cc1cc(nc2ccccc12)N/N=C/[C@@H](O)[C@H](O)[*:1]
C[C@H](NC(=O)N(C)C[C@@H](C)O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N(C)C[C@@H](C)O)c1cnn(c1)[*:1]
C[C@H](NC(=O)N(C)C[C@@H](C)O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N(C)C[C@@H](C)O)c1cnn(c1)C[*:1]
C[C@H](NC(=O)N(C)C[C@@H](C)O)c1cnn(Cc2ccccc2)c1 C[C@@H](O)[*:1] C[C@H](NC(=O)N(C)C[*:1])c1cnn(c1)Cc1ccccc1
C[C@H](NC(=O)N(C)C[C@@H](C)O)c1cnn(Cc2ccccc2)c1 C[C@@H](O)C[*:1] C[C@H](NC(=O)N(C)[*:1])c1cnn(c1)Cc1ccccc1
O=C(OCCCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 c1cncc(c1)[*:1] O=C(OCCC[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc([C@@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 COc1ccc(cc1)[*:1] O=C1CCCC2NC3=C(C(=O)c4ccccc43)[C@@H](C=21)[*:1]
CCN(Cc1cccc(C)n1)C(=O)Cc1nc(CCl)cs1 Cc1cccc(n1)[*:1] CCN(C[*:1])C(=O)Cc1nc(cs1)CCl
CCN(Cc1cccc(C)n1)C(=O)Cc1nc(CCl)cs1 ClCc1csc(n1)[*:1] CCN(Cc1cccc(C)n1)C(=O)C[*:1]
Cc1c(C(=O)NCC2CCCCC2)nnn1-c1cccc2c1CC[NH+](C(C)C)C2 C1CCC(CC1)C[*:1] Cc1c(nnn1-c1cccc2C[NH+](CCc21)C(C)C)C(=O)N[*:1]
Cc1c(C(=O)NCC2CCCCC2)nnn1-c1cccc2c1CC[NH+](C(C)C)C2 CC(C)[*:1] Cc1c(nnn1-c1cccc2C[NH+](CCc21)[*:1])C(=O)NCC1CCCCC1
Cc1c(C(=O)NCC2CCCCC2)nnn1-c1cccc2c1CC[NH+](C(C)C)C2 C1CCC(CC1)[*:1] Cc1c(nnn1-c1cccc2C[NH+](CCc21)C(C)C)C(=O)NC[*:1]
CC(C)=CC[NH2+][C@H](C)Cn1cc(C)cn1 CC(C)=CC[*:1] Cc1cnn(c1)C[C@@H](C)[NH2+][*:1]
CC(C)=CC[NH2+][C@H](C)Cn1cc(C)cn1 CC(C)=C[*:1] Cc1cnn(c1)C[C@@H](C)[NH2+]C[*:1]
COC(C)(C)CNC(=O)N(C)Cc1ccccc1N1CCOCC1 COC(C)(C)C[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)N[*:1]
COC(C)(C)CNC(=O)N(C)Cc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] COC(C)(C)CNC(=O)N(C)Cc1ccccc1[*:1]
COC(C)(C)CNC(=O)N(C)Cc1ccccc1N1CCOCC1 COC(C)(C)[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)NC[*:1]
COC(C)(C)C[C@H](C)NC(=O)NCCc1ncnn1C COC(C)(C)[*:1] C[C@@H](C[*:1])NC(=O)NCCc1ncnn1C
COC(C)(C)C[C@H](C)NC(=O)NCCc1ncnn1C COC(C)(C)C[*:1] C[C@H](NC(=O)NCCc1ncnn1C)[*:1]
COC(C)(C)C[C@H](C)NC(=O)NCCc1ncnn1C Cn1ncnc1[*:1] COC(C)(C)C[C@H](C)NC(=O)NCC[*:1]
Cc1ccc(CC(=O)NNC(=O)c2cccc3ncccc23)cc1O Cc1ccc(cc1O)[*:1] O=C(C[*:1])NNC(=O)c1cccc2ncccc12
COC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C)c1 COC(=O)[*:1] Cc1cc(ccc1F)S(=O)(=O)N[C@H]1CCCC[C@@H]1[*:1]
CC[C@H](C)[C@@H](NC(N)=O)/C([O-])=N/C#N NC(=O)N[*:1] CC[C@H](C)[C@@H](/C([O-])=N/C#N)[*:1]
CC[C@H](C)[C@@H](NC(N)=O)/C([O-])=N/C#N CC[C@H](C)[*:1] N#C/N=C(\[O-])[C@H](NC(N)=O)[*:1]
CN1C(=O)c2ccc(C(=O)N(Cc3ccccc3)Cc3ccco3)cc2C1=O c1ccc(cc1)C[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)N(Cc1ccco1)[*:1]
CN1C(=O)c2ccc(C(=O)N(Cc3ccccc3)Cc3ccco3)cc2C1=O c1coc(c1)[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)N(Cc1ccccc1)C[*:1]
CN1C(=O)c2ccc(C(=O)N(Cc3ccccc3)Cc3ccco3)cc2C1=O c1ccc(cc1)[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)N(Cc1ccco1)C[*:1]
CN1C(=O)c2ccc(C(=O)N(Cc3ccccc3)Cc3ccco3)cc2C1=O c1coc(c1)C[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)N(Cc1ccccc1)[*:1]
CN(C[C@@H]1CCCN1Cc1nc(=O)c2ccccc2[nH]1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(C[C@@H]1CCCN1Cc1nc(=O)c2ccccc2[nH]1)C(=O)O[*:1]
CN(C[C@@H]1CCCN1Cc1nc(=O)c2ccccc2[nH]1)C(=O)OC(C)(C)C CN(C(=O)OC(C)(C)C)[*:1] O=c1nc(CN2CCC[C@H]2C[*:1])[nH]c2ccccc12
CCc1ccc([C@@H](C)C(=O)N[C@@H](C#N)CC)cc1 CC[C@H](C#N)[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)N[*:1]
CCN(CC(=O)NC(C)C)C(=O)COc1ccccc1 CC(C)[*:1] CCN(CC(=O)N[*:1])C(=O)COc1ccccc1
CCN(CC(=O)NC(C)C)C(=O)COc1ccccc1 CC(C)NC(=O)[*:1] CCN(C[*:1])C(=O)COc1ccccc1
CCN(CC(=O)NC(C)C)C(=O)COc1ccccc1 c1ccc(cc1)[*:1] CCN(CC(=O)NC(C)C)C(=O)CO[*:1]
Cc1ccc2[nH]cc(CCC(=O)Nc3n[nH]c(C(C)C)n3)c2c1 CC(C)[*:1] Cc1ccc2[nH]cc(CCC(=O)Nc3n[nH]c(n3)[*:1])c2c1
O=C(/C=C/C1CCOCC1)NC1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] O=C(/C=C/C1CCOCC1)NC1(CCCC1)[*:1]
O=C(/C=C/C1CCOCC1)NC1(c2ccc(F)cc2F)CCCC1 C1CC(CCO1)[*:1] O=C(C=C[*:1])NC1(CCCC1)c1ccc(F)cc1F
O=C(/C=C/C1CCOCC1)NC1(c2ccc(F)cc2F)CCCC1 C(=C[*:1])C1CCOCC1 O=C(NC1(CCCC1)c1ccc(F)cc1F)[*:1]
Cn1cc[nH+]c1CNc1ccc(CC(=O)Nc2ccccc2F)cc1 Fc1ccccc1[*:1] Cn1cc[nH+]c1CNc1ccc(cc1)CC(=O)N[*:1]
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)cc1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(cc1)-c1csc(n1)/C(C#N)=C/N[*:1]
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1csc(n1)/C(C#N)=C/Nc1ccccc1[*:1]
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)cc1 COc1ccc(cc1)[*:1] N#C/C(=C\Nc1ccccc1[N+](=O)[O-])c1nc(cs1)[*:1]
COc1ccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 COc1ccc(cc1)[*:1] c1ccc2nc(ccc2c1)-c1nn2c(nnc2s1)[*:1]
C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)CC(=O)N(C)C CN(C)C(=O)C[*:1] C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)[*:1]
C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)CC(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)C[*:1]
CC1CCC(N(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 CC1CCC(CC1)[*:1] CN(C(=O)CCc1nc2ccccc2c(=O)[nH]1)[*:1]
Cc1c(C(=O)N2CCOC[C@@H]2C2CC2)sc2ccc(F)cc12 C1CC1[*:1] Cc1c(sc2ccc(F)cc12)C(=O)N1CCOC[C@H]1[*:1]
COc1cccc([C@H](CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
COc1cccc([C@H](CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)[NH+]2CCCC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@H](CNC(=O)c1c(C)nn(c1Cl)[*:1])[NH+]1CCCC1
Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cccnc2)c(C)c1 c1cncc(c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)NCCC(=O)N[*:1]
N#C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccccc1Br Brc1ccccc1[*:1] N#C[C@]1(CCCN1C(=O)[*:1])c1ccccc1
N#C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccccc1Br c1ccc(cc1)[*:1] N#C[C@]1(CCCN1C(=O)c1ccccc1Br)[*:1]
O=C(CSc1ccccn1)N/N=C/c1cccc(I)c1 c1ccc(nc1)[*:1] O=C(CS[*:1])N/N=C/c1cccc(I)c1
CCC[NH2+][C@@H](CC)c1ccc(-c2cnn(C)c2)o1 Cn1cc(cn1)[*:1] CCC[NH2+][C@@H](CC)c1ccc(o1)[*:1]
CCC[NH2+][C@@H](CC)c1ccc(-c2cnn(C)c2)o1 CCC[*:1] CC[C@H]([NH2+][*:1])c1ccc(o1)-c1cnn(C)c1
C[C@](O)(CO)CNc1ccc(C#N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@](O)(CO)CNc1ccc(C#N)c(c1)[*:1]
C[C@](O)(CO)CNc1ccc(C#N)c([N+](=O)[O-])c1 C[C@](O)(CO)C[*:1] N#Cc1ccc(cc1[N+](=O)[O-])N[*:1]
C[C@](O)(CO)CNc1ccc(C#N)c([N+](=O)[O-])c1 C[C@](O)(CO)[*:1] N#Cc1ccc(cc1[N+](=O)[O-])NC[*:1]
CCn1nc(C)cc1C(=O)NC[C@](C)(O)CCC(C)C CC(C)CC[*:1] CCn1nc(C)cc1C(=O)NC[C@](C)(O)[*:1]
CCn1nc(C)cc1C(=O)NC[C@](C)(O)CCC(C)C CC(C)C[*:1] CCn1nc(C)cc1C(=O)NC[C@](C)(O)C[*:1]
CCn1nc(C)cc1C(=O)NC[C@](C)(O)CCC(C)C CC(C)[*:1] CCn1nc(C)cc1C(=O)NC[C@](C)(O)CC[*:1]
CCc1nn(C)c(OC)c1CNC(=O)N(Cc1ccco1)C1CCCC1 C1CCC(C1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N(Cc1ccco1)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)N(Cc1ccco1)C1CCCC1 c1coc(c1)C[*:1] CCc1nn(C)c(OC)c1CNC(=O)N(C1CCCC1)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)N(Cc1ccco1)C1CCCC1 c1coc(c1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N(C[*:1])C1CCCC1
C[C@@H](CO)NC(=O)C(=O)Nc1nc(-c2cccs2)cs1 C[C@@H](CO)[*:1] O=C(Nc1nc(cs1)-c1cccs1)C(=O)N[*:1]
C[C@@H](CO)NC(=O)C(=O)Nc1nc(-c2cccs2)cs1 c1csc(c1)[*:1] C[C@@H](CO)NC(=O)C(=O)Nc1nc(cs1)[*:1]
Cc1nc(/C=C/C(=O)N[C@@H](C)c2csc(C(C)C)n2)cs1 CC(C)[*:1] Cc1nc(/C=C/C(=O)N[C@@H](C)c2csc(n2)[*:1])cs1
Cc1nc(/C=C/C(=O)N[C@@H](C)c2csc(C(C)C)n2)cs1 Cc1nc(cs1)[*:1] CC(C)c1nc(cs1)[C@H](C)NC(=O)C=C[*:1]
Cc1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc(S(=O)(=O)N(C)C)c1C CN(C)S(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1
C[C@@H](c1ccc(F)c(F)c1)[S@@](=O)CC(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](c1ccc(F)c(F)c1)[S@@](=O)CC(=O)NCC[*:1]
C[C@@H](c1ccc(F)c(F)c1)[S@@](=O)CC(=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] C[C@@H](c1ccc(F)c(F)c1)[S@@](=O)CC(=O)N[*:1]
C[C@@H](c1ccc(F)c(F)c1)[S@@](=O)CC(=O)NCCc1ccccc1 Fc1ccc(cc1F)[*:1] C[C@@H]([S@@](=O)CC(=O)NCCc1ccccc1)[*:1]
C[C@@H](c1ccc(F)c(F)c1)[S@@](=O)CC(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](c1ccc(F)c(F)c1)[S@@](=O)CC(=O)NC[*:1]
O=C(NC1CCCCC1)c1cccc(-c2cnc(N3CCCC3)nc2)c1 C1CCN(C1)[*:1] O=C(NC1CCCCC1)c1cccc(c1)-c1cnc(nc1)[*:1]
O=C(NC1CCCCC1)c1cccc(-c2cnc(N3CCCC3)nc2)c1 C1CCC(CC1)[*:1] O=C(N[*:1])c1cccc(c1)-c1cnc(nc1)N1CCCC1
CC(C)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 CC(C)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1[*:1]
Sc1sccc1/C=N/c1ccc2ccccc2c1 Sc1sccc1[*:1] C(=Nc1ccc2ccccc2c1)[*:1]
Cc1cc(S(=O)(=O)NC[C@@H](C)c2ccccc2)ccc1Br c1ccc(cc1)[*:1] Cc1cc(ccc1Br)S(=O)(=O)NC[C@@H](C)[*:1]
CC[C@@H]1CN(c2ncnc3sccc23)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H]1CN(CCC(=O)N1[*:1])c1ncnc2sccc12
CC[C@@H]1CN(c2ncnc3sccc23)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CCC(=O)N1C[*:1])c1ncnc2sccc12
CC[C@@H]([NH3+])[C@H](CC(C)C)c1ccccc1 CC(C)[*:1] CC[C@@H]([NH3+])[C@H](C[*:1])c1ccccc1
CC[C@@H]([NH3+])[C@H](CC(C)C)c1ccccc1 CC(C)C[*:1] CC[C@@H]([NH3+])[C@H](c1ccccc1)[*:1]
CC[C@H](C)[C@@H]([NH2+]C)[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] CC[C@H](C)[C@@H]([NH2+]C)[C@@H]1CN(CCO1)[*:1]
CC[C@H](C)[C@@H]([NH2+]C)[C@@H]1CN(C(C)C)CCO1 CC[C@H](C)[*:1] C[NH2+][C@@H]([C@@H]1CN(CCO1)C(C)C)[*:1]
C[C@H](Cc1ccc2c(c1)OCO2)C1=NO[C@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)C1 c1cc2OCOc2cc1C[*:1] C[C@H](C1C[C@H](ON=1)C(=O)N(C)Cc1nc2ccccc2[nH]1)[*:1]
C[C@H](Cc1ccc2c(c1)OCO2)C1=NO[C@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)C1 c1ccc2[nH]c(C[*:1])nc2c1 C[C@H](Cc1ccc2OCOc2c1)C1C[C@H](ON=1)C(=O)N(C)[*:1]
C[C@H](Cc1ccc2c(c1)OCO2)C1=NO[C@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)C1 c1cc2OCOc2cc1[*:1] C[C@H](C[*:1])C1C[C@H](ON=1)C(=O)N(C)Cc1nc2ccccc2[nH]1
C[C@H](Cc1ccc2c(c1)OCO2)C1=NO[C@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)C1 c1ccc2[nH]c(nc2c1)[*:1] C[C@H](Cc1ccc2OCOc2c1)C1C[C@H](ON=1)C(=O)N(C)C[*:1]
CC1CC[NH+](CCCNCc2cn(C)nc2C(C)(C)C)CC1 CC(C)(C)[*:1] CC1CC[NH+](CCCNCc2cn(C)nc2[*:1])CC1
COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1cccs1)N(C)C2=O O=C([O-])[*:1] COc1cc2C(=O)N(C)[C@@H](c3cccs3)[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1cccs1)N(C)C2=O c1csc(c1)[*:1] COc1cc2C(=O)N(C)[C@@H]([C@@H](C(=O)[O-])c2cc1OC)[*:1]
CCOC(=O)[C@@H](CC)N1CCO[C@H](C(N)=S)C1 CCOC(=O)[*:1] CC[C@@H](N1CCO[C@@H](C1)C(N)=S)[*:1]
CCOC(=O)[C@@H](CC)N1CCO[C@H](C(N)=S)C1 NC(=S)[*:1] CCOC(=O)[C@@H](CC)N1CCO[C@H](C1)[*:1]
C/C=C(\C)C(=O)N/N=C/c1cccnc1 CC=C(C)[*:1] O=C(N/N=C/c1cccnc1)[*:1]
Cc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3cccc(Cl)c3)CC2)c1 O=C(Nc1cccc(Cl)c1)[*:1] Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccsc1[*:1]
Cc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3cccc(Cl)c3)CC2)c1 Cc1cccc(c1)[*:1] O=C(Nc1cccc(Cl)c1)c1sccc1S(=O)(=O)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3cccc(Cl)c3)CC2)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccsc1C(=O)N[*:1]
CCc1ccc([C@@H]2C[C@H](c3ccc(CC)cc3)n3nc(N)nc3N2)cc1 CCc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@H]1C[C@H](Nc2nc(N)nn21)[*:1]
CCc1ccc([C@@H]2C[C@H](c3ccc(CC)cc3)n3nc(N)nc3N2)cc1 CCc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@@H]1C[C@H](n2nc(N)nc2N1)[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)c(Cl)c1 FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(Cl)c(Cl)c1
COC(=O)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1 COC(=O)[*:1] O=C(NC[*:1])c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1
COC(=O)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1 c1ccn(c1)[*:1] COC(=O)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1[*:1]
COC(=O)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1 Clc1ccc(cc1)[*:1] COC(=O)CNC(=O)c1cnn(c1-n1cccc1)[*:1]
COC(=O)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1 COC(=O)C[*:1] O=C(N[*:1])c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1
COC(=O)CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1 COC(=O)CNC(=O)[*:1] Clc1ccc(cc1)-n1ncc(c1-n1cccc1)[*:1]
Cn1cc(C(=O)N2CCN(CCO)[C@@H]3CS(=O)(=O)C[C@@H]32)c2ccccc21 OCC[*:1] Cn1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]32)[*:1])c2ccccc21
CCCOc1ccc(NC(=O)N[C@H](C)CO)cc1Cl CCC[*:1] C[C@H](CO)NC(=O)Nc1ccc(O[*:1])c(Cl)c1
CCCOc1ccc(NC(=O)N[C@H](C)CO)cc1Cl C[C@H](CO)[*:1] CCCOc1ccc(cc1Cl)NC(=O)N[*:1]
CCCOc1ccc(NC(=O)N[C@H](C)CO)cc1Cl CCCO[*:1] C[C@H](CO)NC(=O)Nc1ccc(c(Cl)c1)[*:1]
COc1cc(OC)cc(N2C[C@H](C(=O)Nc3ccc(F)cc3)CC2=O)c1 Fc1ccc(cc1)[*:1] COc1cc(cc(c1)N1C[C@@H](CC1=O)C(=O)N[*:1])OC
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Sc2ncc[nH]2)C1 c1c[nH]c(n1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H](C)S[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Sc2ncc[nH]2)C1 CCOC(=O)[*:1] C[C@@H](Sc1ncc[nH]1)C(=O)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Sc2ncc[nH]2)C1 c1c[nH]c(n1)S[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H](C)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCCc2c1cnn2C Clc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)N[C@@H]1CCCc2c1cnn2C
Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1C[C@H]1[*:1]
O=C1CCCN1Cc1nnc(SCc2ccc3ccccc3n2)o1 O=C1CCCN1[*:1] c1ccc2nc(ccc2c1)CSc1nnc(C[*:1])o1
O=C1CCCN1Cc1nnc(SCc2ccc3ccccc3n2)o1 O=C1CCCN1C[*:1] c1ccc2nc(ccc2c1)CSc1nnc(o1)[*:1]
O=C(NOCc1ccccc1)N1CCC[C@H]1CN1CCOCC1 c1ccc(cc1)[*:1] O=C(NOC[*:1])N1CCC[C@H]1CN1CCOCC1
O=C(NOCc1ccccc1)N1CCC[C@H]1CN1CCOCC1 c1ccc(cc1)C[*:1] O=C(NO[*:1])N1CCC[C@H]1CN1CCOCC1
O=C(NOCc1ccccc1)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(NOCc1ccccc1)N1CCC[C@H]1C[*:1]
O=C(NOCc1ccccc1)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(NOCc1ccccc1)N1CCC[C@@H]1[*:1]
CCN(/C=C1\CC[C@H]2[C@H](CCC[C@H]2C)C1=O)CC CCN(CC)[*:1] C[C@@H]1CCC[C@@H]2C(=O)C(=C[*:1])CC[C@@H]21
CCC[C@](C)(O)C(=O)NCCc1ccc[nH]1 c1c[nH]c(c1)[*:1] CCC[C@](C)(O)C(=O)NCC[*:1]
CCC[C@](C)(O)C(=O)NCCc1ccc[nH]1 CCC[*:1] C[C@](O)(C(=O)NCCc1ccc[nH]1)[*:1]
COc1ccc(CN2C(=O)O[C@@H]3CN(Cc4cc(C)cc(C)c4)C[C@@H]32)cc1OC Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1OC)CN1C(=O)O[C@@H]2CN(C[C@@H]21)C[*:1]
COc1ccc(CN2C(=O)O[C@@H]3CN(Cc4cc(C)cc(C)c4)C[C@@H]32)cc1OC Cc1cc(C)cc(c1)C[*:1] COc1ccc(cc1OC)CN1C(=O)O[C@@H]2CN(C[C@@H]21)[*:1]
Cc1cc(C[NH+](Cc2ccccc2C)CC(C)C)n(C)n1 CC(C)C[*:1] Cc1cc(C[NH+](Cc2ccccc2C)[*:1])n(C)n1
Cc1cc(C[NH+](Cc2ccccc2C)CC(C)C)n(C)n1 CC(C)[*:1] Cc1cc(C[NH+](Cc2ccccc2C)C[*:1])n(C)n1
Cc1cc(C[NH+](Cc2ccccc2C)CC(C)C)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1ccccc1C[NH+](CC(C)C)C[*:1]
Cc1cc(C[NH+](Cc2ccccc2C)CC(C)C)n(C)n1 Cc1ccccc1[*:1] Cc1cc(C[NH+](CC(C)C)C[*:1])n(C)n1
C[C@@H]1C[C@@H]([NH3+])CN(CC(=O)N(C)CC(=O)NC2CC2)C1 O=C(NC1CC1)[*:1] C[C@@H]1C[C@@H]([NH3+])CN(CC(=O)N(C)C[*:1])C1
C[C@@H]1C[C@@H]([NH3+])CN(CC(=O)N(C)CC(=O)NC2CC2)C1 C1CC1[*:1] C[C@@H]1C[C@@H]([NH3+])CN(CC(=O)N(C)CC(=O)N[*:1])C1
N/C(=N\N=C\c1ccco1)c1cnccn1 c1coc(c1)[*:1] N/C(=N\N=C[*:1])c1cnccn1
CC(C)[C@@H](C)Nc1nc2ccc(Cl)cn2n1 CC(C)[*:1] C[C@@H](Nc1nc2ccc(Cl)cn2n1)[*:1]
CC(C)[C@@H](C)Nc1nc2ccc(Cl)cn2n1 CC(C)[C@@H](C)[*:1] Clc1ccc2nc(nn2c1)N[*:1]
COc1ccc(C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2cccnc2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1cccnc1)[*:1]
COc1ccc(C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2cccnc2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)C(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1[*:1]
CC[NH2+][C@H](C)c1ccc(N[C@H](C)CC)cc1 CC[C@@H](C)[*:1] CC[NH2+][C@H](C)c1ccc(cc1)N[*:1]
CC[NH2+][C@H](C)c1ccc(N[C@H](C)CC)cc1 CC[C@@H](C)N[*:1] CC[NH2+][C@H](C)c1ccc(cc1)[*:1]
Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(Cl)c3)n2)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)-c1noc(CN(C)C(=O)[C@H](C)O[*:1])n1
Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(Cl)c3)n2)c1 Cc1cccc(c1)[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(no1)[*:1]
Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(Cl)c3)n2)c1 Clc1cccc(c1)O[*:1] Cc1cccc(c1)-c1noc(CN(C)C(=O)[C@H](C)[*:1])n1
Cc1n[nH]c(C(=O)N(C)C[C@H]2C[C@@H]2C)n1 C[C@H]1C[C@@H]1C[*:1] Cc1n[nH]c(n1)C(=O)N(C)[*:1]
Cc1n[nH]c(C(=O)N(C)C[C@H]2C[C@@H]2C)n1 C[C@H]1C[C@@H]1[*:1] Cc1n[nH]c(n1)C(=O)N(C)C[*:1]
CC(=O)Nc1ccc(NC(=O)CN2CCOC[C@@H]2C2CC2)cc1 CC(=O)N[*:1] O=C(CN1CCOC[C@@H]1C1CC1)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CN2CCOC[C@@H]2C2CC2)cc1 C1CC1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CN1CCOC[C@H]1[*:1]
CC(C)C[C@@H](C#N)NC(=O)Cc1ccc(Cl)cc1 CC(C)C[*:1] N#C[C@@H](NC(=O)Cc1ccc(Cl)cc1)[*:1]
CC(C)C[C@@H](C#N)NC(=O)Cc1ccc(Cl)cc1 CC(C)[*:1] N#C[C@H](C[*:1])NC(=O)Cc1ccc(Cl)cc1
Cc1c(C)c(C)c(S(=O)(=O)N[C@H](C)Cc2ccco2)c(C)c1C c1coc(c1)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N[C@H](C)C[*:1]
Cc1c(C)c(C)c(S(=O)(=O)N[C@H](C)Cc2ccco2)c(C)c1C c1coc(c1)C[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N[C@H](C)[*:1]
Cc1cc(NC(=O)[C@H](C)Sc2nccn2-c2ccc(Cl)cc2)no1 Cc1cc(no1)[*:1] C[C@H](Sc1nccn1-c1ccc(Cl)cc1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@H](C)Sc2nccn2-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)Sc1nccn1[*:1]
Cc1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2c1cnn2[*:1]
Cc1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2c1cnn2-c1ccccc1 Fc1cccc(c1)[*:1] Cc1nn(CC(=O)N[*:1])c(=O)c2c1cnn2-c1ccccc1
C=CCc1ccc(OCc2nnc3n(CC)c(=O)c4ccccc4n23)c(OC)c1 C=CC[*:1] CCn1c(=O)c2ccccc2n2c(COc3ccc(cc3OC)[*:1])nnc12
O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccncc3)CC2)N1CCc1ccccc1 c1ccc(C[*:1])nc1 O=C1N(CCc2ccccc2)C2(CCN(CC2)Cc2ccncc2)C(=O)N1[*:1]
O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccncc3)CC2)N1CCc1ccccc1 c1cc(ccn1)[*:1] O=C1N(Cc2ccccn2)C(=O)C2(CCN(CC2)C[*:1])N1CCc1ccccc1
O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccncc3)CC2)N1CCc1ccccc1 c1cc(ccn1)C[*:1] O=C1N(Cc2ccccn2)C(=O)C2(CCN(CC2)[*:1])N1CCc1ccccc1
O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccncc3)CC2)N1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1N(Cc2ccccn2)C(=O)C2(CCN(CC2)Cc2ccncc2)N1CC[*:1]
O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccncc3)CC2)N1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C1N(Cc2ccccn2)C(=O)C2(CCN(CC2)Cc2ccncc2)N1[*:1]
O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccncc3)CC2)N1CCc1ccccc1 c1ccc(nc1)[*:1] O=C1N(C[*:1])C(=O)C2(CCN(CC2)Cc2ccncc2)N1CCc1ccccc1
O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccncc3)CC2)N1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1N(Cc2ccccn2)C(=O)C2(CCN(CC2)Cc2ccncc2)N1C[*:1]
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl O=[N+]([O-])[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl c1ccc(cc1)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H](C1(Cl)Cl)[*:1]
O[C@@H](CSc1ncnc2sccc12)c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](CSc1ncnc2sccc12)[*:1]
COc1cc(C[NH+](C)CC(=O)Nc2nccs2)ccc1O c1csc(n1)[*:1] COc1cc(ccc1O)C[NH+](C)CC(=O)N[*:1]
CC(C)CC(=O)NNc1ccc(F)c(F)c1F CC(C)[*:1] O=C(C[*:1])NNc1ccc(F)c(F)c1F
CC(C)CC(=O)NNc1ccc(F)c(F)c1F CC(C)C[*:1] O=C(NNc1ccc(F)c(F)c1F)[*:1]
COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)[*:1]
COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)C2CC2)cc1 N#Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(C[*:1])C(C)C)C1CC1
COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)C2CC2)cc1 COc1ccc(cc1)[*:1] CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C1CC1)[*:1]
COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)C2CC2)cc1 N#Cc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(C(C)C)[*:1])C1CC1
COc1ccc([C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)C2CC2)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)[*:1])C1CC1
CC[C@@H](NC(=O)C[C@@H](O)c1cccc(F)c1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)C[C@@H](O)c1cccc(F)c1)[*:1]
CC[C@@H](NC(=O)C[C@@H](O)c1cccc(F)c1)c1ccc(C)c(F)c1 Fc1cccc(c1)[*:1] CC[C@@H](NC(=O)C[C@@H](O)[*:1])c1ccc(C)c(F)c1
C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 c1ccc2c(n[nH]c2c1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(CC1)[*:1]
O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1nn(c(=O)c2ccccc12)[*:1])N1CCN(CC1)c1ccccc1
COc1ccc2oc(C[NH2+][C@H](CC(F)(F)F)c3ccc(F)cc3)cc2c1 FC(F)(F)C[*:1] COc1ccc2oc(cc2c1)C[NH2+][C@H](c1ccc(F)cc1)[*:1]
COc1ccc2oc(C[NH2+][C@H](CC(F)(F)F)c3ccc(F)cc3)cc2c1 FC(F)(F)[*:1] COc1ccc2oc(cc2c1)C[NH2+][C@H](C[*:1])c1ccc(F)cc1
COc1ccc2oc(C[NH2+][C@H](CC(F)(F)F)c3ccc(F)cc3)cc2c1 Fc1ccc(cc1)[*:1] COc1ccc2oc(cc2c1)C[NH2+][C@H](CC(F)(F)F)[*:1]
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C[C@H](O)[*:1]
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C[C@H](O)c1cccc(F)c1 CC(C)[*:1] O=C(C[C@H](O)c1cccc(F)c1)NC[C@H]1CCCO[C@H]1[*:1]
CCOC(=O)/C(C#N)=C\N[C@H]1CCc2c(Br)cccc21 CCOC(=O)[*:1] N#CC(=CN[C@H]1CCc2c(Br)cccc21)[*:1]
Cc1csc(CN(C)C(=O)C=C2CCSCC2)n1 Cc1csc(n1)[*:1] CN(C[*:1])C(=O)C=C1CCSCC1
C[NH2+][C@@H](C)c1cccc(-n2cncn2)c1 c1ncn(n1)[*:1] C[NH2+][C@@H](C)c1cccc(c1)[*:1]
COc1cccc(C[C@@]2(c3cccc([N+](=O)[O-])c3)NC(N)=NC2=O)c1OC O=[N+]([O-])c1cccc(c1)[*:1] COc1cccc(C[C@]2(NC(N)=NC2=O)[*:1])c1OC
COc1cccc(C[C@@]2(c3cccc([N+](=O)[O-])c3)NC(N)=NC2=O)c1OC O=[N+]([O-])[*:1] COc1cccc(C[C@]2(NC(N)=NC2=O)c2cccc(c2)[*:1])c1OC
CCC[C@@H](N[C@@H](C)C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC[C@@H](N[C@@H](C)C(=O)N1CCCCC1)c1cccc(c1)[*:1]
CCC[C@@H](N[C@@H](C)C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 CCC[*:1] C[C@H](N[C@@H](c1cccc(c1)[N+](=O)[O-])[*:1])C(=O)N1CCCCC1
CCC[C@@H](N[C@@H](C)C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 O=C(N1CCCCC1)[*:1] CCC[C@@H](N[C@@H](C)[*:1])c1cccc(c1)[N+](=O)[O-]
Cc1ccc(C)c(C(=O)CSc2ncc[nH]2)c1 c1c[nH]c(n1)[*:1] Cc1ccc(C)c(c1)C(=O)CS[*:1]
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NN[*:1]
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NNc1ccccc1 CC(C)(C)[*:1] C[C@@H](CN(C)C(=O)O[*:1])C(=O)NNc1ccccc1
O=C(NC[C@@H](O)c1ccc(F)cc1)Nc1cc(Cl)ccc1Cl Fc1ccc(cc1)[*:1] O=C(NC[C@@H](O)[*:1])Nc1cc(Cl)ccc1Cl
CC(C)c1nccc(N(Cc2ccccc2)[C@H](C)CCO)n1 c1ccc(cc1)C[*:1] CC(C)c1nccc(n1)N([C@H](C)CCO)[*:1]
CC(C)c1nccc(N(Cc2ccccc2)[C@H](C)CCO)n1 c1ccc(cc1)[*:1] CC(C)c1nccc(n1)N(C[*:1])[C@H](C)CCO
CC(C)c1nccc(N(Cc2ccccc2)[C@H](C)CCO)n1 OCC[*:1] CC(C)c1nccc(n1)N(Cc1ccccc1)[C@H](C)[*:1]
CC(C)c1nccc(N(Cc2ccccc2)[C@H](C)CCO)n1 CC(C)[*:1] C[C@H](CCO)N(Cc1ccccc1)c1ccnc(n1)[*:1]
C[C@@H](CNC(=O)NCc1ccccn1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NCc1ccccn1)O[*:1]
C[C@@H](CNC(=O)NCc1ccccn1)Oc1ccccc1 c1ccc(C[*:1])nc1 C[C@@H](CNC(=O)N[*:1])Oc1ccccc1
C[C@@H](CNC(=O)NCc1ccccn1)Oc1ccccc1 c1ccc(nc1)[*:1] C[C@@H](CNC(=O)NC[*:1])Oc1ccccc1
C[C@@H](CNC(=O)NCc1ccccn1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)NCc1ccccn1)[*:1]
CN(C)c1cccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 NC(=O)[*:1] CN(C)c1cccc(c1)C(=O)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
CN(C)c1cccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 CN(C)c1cccc(c1)[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
CN(C)c1cccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 CN(C)[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CN(C)c1cccc(c1)C(=O)N1CCN(CC1)[C@@H](C(N)=O)[*:1]
Cc1ccc2ncc(C(=O)NCCCNc3ncccn3)n2c1 c1cnc(nc1)N[*:1] Cc1ccc2ncc(C(=O)NCCC[*:1])n2c1
Cc1ccc2ncc(C(=O)NCCCNc3ncccn3)n2c1 c1cnc(nc1)[*:1] Cc1ccc2ncc(C(=O)NCCCN[*:1])n2c1
O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H](CC(F)(F)F)[*:1]
O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H](C[*:1])c1ccc(F)cc1
O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H](c1ccc(F)cc1)[*:1]
Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(F)c4)c3c2)o1 Cc1nnc(o1)[*:1] O=C(Cn1ccc2ccc(cc21)[*:1])Nc1cccc(F)c1
Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(F)c4)c3c2)o1 Fc1cccc(c1)[*:1] Cc1nnc(o1)-c1ccc2ccn(CC(=O)N[*:1])c2c1
CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)N(C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)N(C)C[*:1]
CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)N(C)Cc1ccc(Cl)cc1 C1CC1[*:1] CC(C)[C@@H](C)N(S(=O)(=O)N(C)Cc1ccc(Cl)cc1)[*:1]
CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)N(C)Cc1ccc(Cl)cc1 CC(C)[*:1] C[C@@H](N(C1CC1)S(=O)(=O)N(C)Cc1ccc(Cl)cc1)[*:1]
CC[NH2+][C@H](C)c1nc(CCC(F)(F)F)no1 FC(F)(F)[*:1] CC[NH2+][C@H](C)c1nc(CC[*:1])no1
CC[NH2+][C@H](C)c1nc(CCC(F)(F)F)no1 FC(F)(F)C[*:1] CC[NH2+][C@H](C)c1nc(C[*:1])no1
O=C(NCCn1cccc1)c1ccc([N+](=O)[O-])cc1Cl c1ccn(c1)C[*:1] O=C(NC[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
O=C(NCCn1cccc1)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(NCCn1cccc1)c1ccc(cc1Cl)[*:1]
O=C(NCCn1cccc1)c1ccc([N+](=O)[O-])cc1Cl c1ccn(c1)[*:1] O=C(NCC[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
COc1ccc(CCN2C(=O)C=C(Nc3ccc(Br)cc3)C2=O)cc1OC Brc1ccc(cc1)N[*:1] COc1ccc(cc1OC)CCN1C(=O)C=C(C1=O)[*:1]
COc1ccc(CCN2C(=O)C=C(Nc3ccc(Br)cc3)C2=O)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCN1C(=O)C=C(N[*:1])C1=O
Cc1cnn([C@@H](C)C(=O)N(C)Cc2ccc(-n3cccn3)cc2)c1 Cc1cnn(c1)[*:1] C[C@@H](C(=O)N(C)Cc1ccc(cc1)-n1cccn1)[*:1]
Cc1cnn([C@@H](C)C(=O)N(C)Cc2ccc(-n3cccn3)cc2)c1 c1cnn(c1)[*:1] Cc1cnn(c1)[C@@H](C)C(=O)N(C)Cc1ccc(cc1)[*:1]
Cc1ccc(C(=O)NCCCC(N)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)C(=O)NCCC[*:1]
Cc1ccc(C(=O)NCCCC(N)=O)cc1 NC(=O)CC[*:1] Cc1ccc(cc1)C(=O)NC[*:1]
Cc1ccc(C(=O)NCCCC(N)=O)cc1 NC(=O)C[*:1] Cc1ccc(cc1)C(=O)NCC[*:1]
C[C@@H](O)CNC1=[NH+]CCCCC1 C[C@@H](O)C[*:1] C1CC[NH+]=C(CC1)N[*:1]
C[C@@H](O)CNC1=[NH+]CCCCC1 C[C@@H](O)[*:1] C1CC[NH+]=C(CC1)NC[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)CCCl)c1 O=C(CCCl)N[*:1] CC(C)(C)NC(=O)c1cccc(c1)[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)CCCl)c1 CC(C)(C)[*:1] O=C(CCCl)Nc1cccc(c1)C(=O)N[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)CCCl)c1 ClCC[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)[*:1]
CCC[C@@H]1NC(=O)[C@@H](CC)N(Cc2sccc2C)C1=O CCC[*:1] CC[C@@H]1C(=O)N[C@H](C(=O)N1Cc1sccc1C)[*:1]
CCC[C@@H]1NC(=O)[C@@H](CC)N(Cc2sccc2C)C1=O Cc1ccsc1[*:1] CCC[C@@H]1NC(=O)[C@@H](CC)N(C[*:1])C1=O
CCOc1ccc2nc3sc(C(=O)Nc4ncc(C)s4)c(N)c3cc2c1 CCO[*:1] Cc1cnc(NC(=O)c2sc3nc4ccc(cc4cc3c2N)[*:1])s1
CCOc1ccc2nc3sc(C(=O)Nc4ncc(C)s4)c(N)c3cc2c1 Cc1cnc(s1)[*:1] CCOc1ccc2nc3sc(C(=O)N[*:1])c(N)c3cc2c1
C[NH+](C)CCN1C[C@H](C(=O)NCc2nccs2)CC1=O c1csc(n1)[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)NC[*:1]
C[NH+](C)CCN1C[C@H](C(=O)NCc2nccs2)CC1=O c1csc(C[*:1])n1 C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)N[*:1]
CN(C)[C@@H](C(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1F CN(C)[*:1] O=C([C@@H](c1ccccc1F)[*:1])N1CCC(CC1)N1CCOC1=O
CN(C)[C@@H](C(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1F Fc1ccccc1[*:1] CN(C)[C@@H](C(=O)N1CCC(CC1)N1CCOC1=O)[*:1]
CN(C)[C@@H](C(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1F O=C1OCCN1[*:1] CN(C)[C@@H](C(=O)N1CCC(CC1)[*:1])c1ccccc1F
COCc1cc(=O)[nH]c(Nc2ccc(F)cc2Cl)n1 COC[*:1] O=c1cc(nc(Nc2ccc(F)cc2Cl)[nH]1)[*:1]
Cc1ccc(F)cc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 FC(F)(F)[*:1] Cc1ccc(F)cc1C(=O)NCC1CCN(CC1)C(=O)[*:1]
Cc1ccc(F)cc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 Cc1ccc(F)cc1[*:1] O=C(N1CCC(CC1)CNC(=O)[*:1])C(F)(F)F
S=c1n(CN2CCSCC2)nc(N2CCCCC2)n1-c1ccccc1 C1CN(CCS1)C[*:1] S=c1n(nc(N2CCCCC2)n1-c1ccccc1)[*:1]
S=c1n(CN2CCSCC2)nc(N2CCCCC2)n1-c1ccccc1 C1CN(CCS1)[*:1] S=c1n(C[*:1])nc(N2CCCCC2)n1-c1ccccc1
S=c1n(CN2CCSCC2)nc(N2CCCCC2)n1-c1ccccc1 c1ccc(cc1)[*:1] S=c1n(CN2CCSCC2)nc(N2CCCCC2)n1[*:1]
S=c1n(CN2CCSCC2)nc(N2CCCCC2)n1-c1ccccc1 C1CCN(CC1)[*:1] S=c1n(CN2CCSCC2)nc(n1-c1ccccc1)[*:1]
CCc1nc(Cl)c(C)c(NCCCSC)n1 CSC[*:1] CCc1nc(Cl)c(C)c(n1)NCC[*:1]
CCc1nc(Cl)c(C)c(NCCCSC)n1 CSCC[*:1] CCc1nc(Cl)c(C)c(n1)NC[*:1]
CCc1nc(Cl)c(C)c(NCCCSC)n1 CSCCC[*:1] CCc1nc(Cl)c(C)c(n1)N[*:1]
CC[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)c1ccc(nc1)C(F)(F)F)[*:1]
CC[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)C(=O)N1CCOCC1 FC(F)(F)[*:1] CC[C@H](NC(=O)c1ccc(nc1)[*:1])C(=O)N1CCOCC1
Cc1ccc(/C=C(\NC(=O)c2cccc(C)c2)C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NC(=C[*:1])C(=O)[O-]
Cc1ccc(/C=C(\NC(=O)c2cccc(C)c2)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(/C=C(\NC(=O)c2cccc(C)c2)[*:1])cc1
Cc1ccc(/C=C(\NC(=O)c2cccc(C)c2)C(=O)[O-])cc1 Cc1cccc(c1)[*:1] Cc1ccc(/C=C(\NC(=O)[*:1])C(=O)[O-])cc1
O=C(CCC(=O)c1cccs1)NCC(=O)Nc1ccc(F)c(F)c1F O=C(C[*:1])c1cccs1 O=C(C[*:1])NCC(=O)Nc1ccc(F)c(F)c1F
O=C(CCC(=O)c1cccs1)NCC(=O)Nc1ccc(F)c(F)c1F c1csc(c1)[*:1] O=C(CCC(=O)[*:1])NCC(=O)Nc1ccc(F)c(F)c1F
O=C(CCC(=O)c1cccs1)NCC(=O)Nc1ccc(F)c(F)c1F O=C(c1cccs1)[*:1] O=C(CC[*:1])NCC(=O)Nc1ccc(F)c(F)c1F
Cc1ccc2nc(C)c(C(=O)NCC(C)(C)c3ccncc3)cc2c1 c1cc(ccn1)[*:1] Cc1ccc2nc(C)c(cc2c1)C(=O)NCC(C)(C)[*:1]
CCOc1ccccc1C[NH2+]C1COC1 CCO[*:1] c1ccc(c(c1)C[NH2+]C1COC1)[*:1]
CC1(C)CN(CCn2cccn2)CC[S@]1=O c1cnn(c1)[*:1] CC1(C)CN(CC[S@]1=O)CC[*:1]
C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](Nc1ccc(cc1)N1CCCS1(=O)=O)C(=O)N[*:1]
C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1 O=S1(=O)CCCN1[*:1] C[C@H](Nc1ccc(cc1)[*:1])C(=O)Nc1ccc(F)c(F)c1
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 NC(=O)CS(=O)(=O)[*:1] C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(cc1)[*:1]
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 NC(=O)C[*:1] C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(cc1)S(=O)(=O)[*:1]
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 NC(=O)[*:1] C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(cc1)S(=O)(=O)C[*:1]
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCc2[nH]ncc2C1 CCC[*:1] O=C([C@H]1CCCN1S(=O)(=O)C[*:1])N1CCc2[nH]ncc2C1
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCc2[nH]ncc2C1 CCCC[*:1] O=C([C@H]1CCCN1S(=O)(=O)[*:1])N1CCc2[nH]ncc2C1
CCOc1ccccc1C(=O)NCC(=O)Nc1cnc2onc(C)c2c1 CCO[*:1] Cc1noc2ncc(cc12)NC(=O)CNC(=O)c1ccccc1[*:1]
Cc1ncc(Cn2c(CCl)nc3c(C)ccnc32)s1 Cc1ncc(s1)[*:1] Cc1ccnc2c1nc(CCl)n2C[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 Cc1occc1C(=O)N[*:1] N#CCc1ccc(cc1)NC(=O)N1CCC(CC1)[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 N#CCc1ccc(cc1)[*:1] Cc1occc1C(=O)NC1CCN(CC1)C(=O)N[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 Cc1occc1[*:1] N#CCc1ccc(cc1)NC(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 N#CC[*:1] Cc1occc1C(=O)NC1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@H](C#N)OC(=O)[C@@H]1CCCN(C(N)=O)C1 CC(C)[*:1] N#C[C@H](OC(=O)[C@@H]1CCCN(C1)C(N)=O)[*:1]
CC(C)[C@H](C#N)OC(=O)[C@@H]1CCCN(C(N)=O)C1 CC(C)[C@H](C#N)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)O[*:1]
O=C(c1ccsc1)N1CCCCC[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(c1ccsc1)N1CCCCC[C@@H]1[*:1]
O=C(c1ccsc1)N1CCCCC[C@H]1c1ccco1 c1cc(cs1)[*:1] O=C(N1CCCCC[C@H]1c1ccco1)[*:1]
C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)N[C@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@@H]1[*:1] C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)N[*:1]
CCN1C[C@]2(CCCN(C(=O)COCc3ccccc3)C2)CCC1=O c1ccc(cc1)CO[*:1] CCN1C[C@]2(CCCN(C2)C(=O)C[*:1])CCC1=O
CCN1C[C@]2(CCCN(C(=O)COCc3ccccc3)C2)CCC1=O c1ccc(cc1)C[*:1] CCN1C[C@]2(CCCN(C2)C(=O)CO[*:1])CCC1=O
CCN1C[C@]2(CCCN(C(=O)COCc3ccccc3)C2)CCC1=O c1ccc(cc1)[*:1] CCN1C[C@]2(CCCN(C2)C(=O)COC[*:1])CCC1=O
CC(C)(C)c1ccc(=O)n(CC(=O)Nc2cc(Cl)ccc2F)n1 CC(C)(C)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1cc(Cl)ccc1F
Cc1ccc(-c2cc(-c3ccccc3Cl)nc(N)n2)c(C)c1 Clc1ccccc1[*:1] Cc1ccc(-c2cc(nc(N)n2)[*:1])c(C)c1
Cc1sc(-n2cccc2)c(C(=O)NCc2ccccn2)c1C c1ccc(C[*:1])nc1 Cc1sc(c(C(=O)N[*:1])c1C)-n1cccc1
Cc1sc(-n2cccc2)c(C(=O)NCc2ccccn2)c1C c1ccc(nc1)[*:1] Cc1sc(c(C(=O)NC[*:1])c1C)-n1cccc1
Cc1sc(-n2cccc2)c(C(=O)NCc2ccccn2)c1C c1ccn(c1)[*:1] Cc1sc(c(C(=O)NCc2ccccn2)c1C)[*:1]
COc1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc(OC)c1Br O=C(N[*:1])C1CC1 COc1cc(cc(OC)c1Br)C(=O)NCc1cccc(c1)[*:1]
COc1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc(OC)c1Br C1CC1[*:1] COc1cc(cc(OC)c1Br)C(=O)NCc1cccc(c1)NC(=O)[*:1]
Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(COC(=O)[C@H]1CC(=O)N(C1)NC(=O)[*:1])c1ccc(F)cc1
Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1 O=C(c1ccc(F)cc1)[*:1] Cc1ccc(cc1)C(=O)NN1C[C@H](CC1=O)C(=O)OC[*:1]
Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NN1C[C@H](CC1=O)C(=O)OCC(=O)[*:1]
Cc1nc(C(=O)N[C@H]2CCOC(C)(C)C2)c(-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C(=O)N[C@H]2CCOC(C)(C)C2)c(s1)[*:1]
C/C(=C\C(=O)Nc1ccc2c(c1)OCO2)NNC(=O)c1ccc2ccccc2c1O c1cc2OCOc2cc1[*:1] C/C(=C\C(=O)N[*:1])NNC(=O)c1ccc2ccccc2c1O
O=C(CC[NH+]1CCCCCCC1)NC[C@@H](c1ccccn1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(CC[NH+]1CCCCCCC1)NC[C@@H](c1ccccn1)[*:1]
O=C(CC[NH+]1CCCCCCC1)NC[C@@H](c1ccccn1)N1CCOCC1 c1ccc(nc1)[*:1] O=C(CC[NH+]1CCCCCCC1)NC[C@@H](N1CCOCC1)[*:1]
C[C@@](O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccon1 c1ccc(cc1)[*:1] C[C@@](O)(CC[*:1])CNC(=O)C(=O)Nc1ccon1
C[C@@](O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccon1 c1ccc(cc1)C[*:1] C[C@](O)(CNC(=O)C(=O)Nc1ccon1)C[*:1]
C[C@@](O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccon1 c1cc(no1)[*:1] C[C@@](O)(CCc1ccccc1)CNC(=O)C(=O)N[*:1]
Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCN4CCOCC4)c(C)c3cc12 C1CN(CCO1)C[*:1] Cc1coc2c(C)c3oc(=O)c(CC(=O)NC[*:1])c(C)c3cc12
Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCN4CCOCC4)c(C)c3cc12 C1CN(CCO1)CC[*:1] Cc1coc2c(C)c3oc(=O)c(CC(=O)N[*:1])c(C)c3cc12
Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCN4CCOCC4)c(C)c3cc12 C1CN(CCO1)[*:1] Cc1coc2c(C)c3oc(=O)c(CC(=O)NCC[*:1])c(C)c3cc12
C[C@H]1CCCC[C@@]12CC(=O)NC(=O)[C@@H]2c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H]1CCCC[C@@]12CC(=O)NC(=O)[C@H]2[*:1]
CC(C)c1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(C#N)cc3)nc12 N#Cc1ccc(cc1)[*:1] CC(C)c1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
CC(C)c1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(C#N)cc3)nc12 CC(C)[*:1] N#Cc1ccc(cc1)C(=O)N(C[C@H]1CCCO1)c1nc2c(cccc2s1)[*:1]
O=C(c1ccc(=O)[nH]c1)N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(=O)[nH]c1)N1CCN(CC1)c1nc(nc2ccccc12)[*:1]
O=C(c1ccc(=O)[nH]c1)N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 O=c1ccc(c[nH]1)[*:1] O=C(N1CCN(CC1)c1nc(nc2ccccc12)-c1ccccc1)[*:1]
CC(=O)Nc1cccc(-n2c(C)nn(C[C@H](O)c3ccccc3)c2=S)c1 O[C@H](c1ccccc1)[*:1] CC(=O)Nc1cccc(c1)-n1c(C)nn(C[*:1])c1=S
CC(=O)Nc1cccc(-n2c(C)nn(C[C@H](O)c3ccccc3)c2=S)c1 CC(=O)N[*:1] Cc1nn(C[C@H](O)c2ccccc2)c(=S)n1-c1cccc(c1)[*:1]
CC(=O)Nc1cccc(-n2c(C)nn(C[C@H](O)c3ccccc3)c2=S)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)-n1c(C)nn(C[C@H](O)[*:1])c1=S
Cc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])c(C)n1C1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])c(C)n1[*:1]
Cc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])c(C)n1C1CCCCC1 O=[N+]([O-])[*:1] Cc1cc(C(=O)NNc2ccccc2[*:1])c(C)n1C1CCCCC1
COc1ccc2c(c1)N(C(=O)c1sccc1SC)CCO2 CSc1ccsc1[*:1] COc1ccc2OCCN(C(=O)[*:1])c2c1
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3ccoc3C)C2)s1 Cc1occc1[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@H](C1)C(=O)NNC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3ccoc3C)C2)s1 Cc1ccc(s1)[*:1] Cc1occc1C(=O)NNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1cccc(CNC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1 COc1cccc(c1)C[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCOCC1)N[*:1]
COc1cccc(CNC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1 COc1cccc(c1)[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCOCC1)NC[*:1]
COc1cccc(CNC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1 C1CN(CCO1)[*:1] COc1cccc(c1)CNC(=O)Cn1cnc2nc(sc2c1=O)[*:1]
CC(=O)N[C@H](Cc1nc(-c2cc3ccccc3o2)no1)c1ccc(C)cc1 c1ccc2oc(cc2c1)[*:1] CC(=O)N[C@H](Cc1nc(no1)[*:1])c1ccc(C)cc1
CC(=O)N[C@H](Cc1nc(-c2cc3ccccc3o2)no1)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](Cc1nc(no1)-c1cc2ccccc2o1)[*:1]
CC(=O)N[C@H](Cc1nc(-c2cc3ccccc3o2)no1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](Cc1nc(no1)-c1cc2ccccc2o1)[*:1]
C[C@H]([NH2+]CC(=O)N1CCNC1=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H]([NH2+]CC(=O)N1CCNC1=O)c1cccc(c1)[*:1]
CN(C)c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1F CN(C)[*:1] O=C1NC(=O)C2(CCN(CC2)C(=O)c2ccc(c(F)c2)[*:1])N1
N#C[C@@H](C(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@@H](C(=O)c1cccc(c1)N1CCCS1(=O)=O)[*:1]
N#C[C@@H](C(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)cn1 O=S1(=O)CCCN1[*:1] N#C[C@@H](C(=O)c1cccc(c1)[*:1])c1ccc(F)cn1
Cc1nnc(S[C@H](C(=O)N2CCCC2)C(C)C)s1 Cc1nnc(s1)[*:1] CC(C)[C@H](S[*:1])C(=O)N1CCCC1
Cc1nnc(S[C@H](C(=O)N2CCCC2)C(C)C)s1 CC(C)[*:1] Cc1nnc(S[C@H](C(=O)N2CCCC2)[*:1])s1
CCc1nn(C)c2c1nc([C@H](C)Cl)n2CCNS(C)(=O)=O CS(=O)(=O)NC[*:1] CCc1nn(C)c2c1nc([C@H](C)Cl)n2C[*:1]
CCc1nn(C)c2c1nc([C@H](C)Cl)n2CCNS(C)(=O)=O CS(=O)(=O)N[*:1] CCc1nn(C)c2c1nc([C@H](C)Cl)n2CC[*:1]
CCc1nn(C)c2c1nc([C@H](C)Cl)n2CCNS(C)(=O)=O CS(=O)(=O)NCC[*:1] CCc1nn(C)c2c1nc([C@H](C)Cl)n2[*:1]
CCc1nn(C)c2c1nc([C@H](C)Cl)n2CCNS(C)(=O)=O C[C@H](Cl)[*:1] CCc1nn(C)c2c1nc(n2CCNS(C)(=O)=O)[*:1]
CCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCC[C@@H]1C O=[N+]([O-])[*:1] CCN(C(=O)CN1C(=O)COc2ccc(cc21)[*:1])[C@@H]1CCCC[C@@H]1C
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 c1ccc(cc1)[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)c1cnn(c(=O)c1Cl)[*:1]
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 O=c1[nH]c(nc2ccccc12)[*:1] O=C(CC[*:1])N1CCN(CC1)c1cnn(-c2ccccc2)c(=O)c1Cl
CN(Cc1ccccc1)C(=O)CSc1cc(=O)n(C)c2ccccc12 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CSc1cc(=O)n(C)c2ccccc12
CN(Cc1ccccc1)C(=O)CSc1cc(=O)n(C)c2ccccc12 c1ccc(cc1)C[*:1] CN(C(=O)CSc1cc(=O)n(C)c2ccccc12)[*:1]
CCN(CC(=O)c1ccc(Cl)s1)Cc1ccccn1 c1ccc(nc1)[*:1] CCN(CC(=O)c1ccc(Cl)s1)C[*:1]
CCN(CC(=O)c1ccc(Cl)s1)Cc1ccccn1 Clc1ccc(s1)[*:1] CCN(CC(=O)[*:1])Cc1ccccn1
CC[C@H](C)n1ncc(C(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)N[C@@H]2CCN(C2)C(=O)C(C)C)c1[*:1]
CC[C@H](C)n1ncc(C(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)c1C1CC1 CC(C)[*:1] CC[C@H](C)n1ncc(C(=O)N[C@@H]2CCN(C2)C(=O)[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)c1C1CC1 CC[C@H](C)[*:1] CC(C)C(=O)N1CC[C@H](C1)NC(=O)c1cnn(c1C1CC1)[*:1]
COc1ccc(/C=C2\Oc3c(ccc(OCC(N)=O)c3C)C2=O)cc1OC NC(=O)[*:1] COc1ccc(/C=C2\Oc3c(ccc(OC[*:1])c3C)C2=O)cc1OC
COc1ccc(/C=C2\Oc3c(ccc(OCC(N)=O)c3C)C2=O)cc1OC NC(=O)CO[*:1] COc1ccc(/C=C2\Oc3c(ccc(c3C)[*:1])C2=O)cc1OC
COc1ccc(/C=C2\Oc3c(ccc(OCC(N)=O)c3C)C2=O)cc1OC NC(=O)C[*:1] COc1ccc(/C=C2\Oc3c(ccc(O[*:1])c3C)C2=O)cc1OC
c1ccc(-c2ncn(CCc3c[nH]c4ccccc34)c2-c2cccnc2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)-c1ncn(CCc2c[nH]c3ccccc23)c1[*:1]
c1ccc(-c2ncn(CCc3c[nH]c4ccccc34)c2-c2cccnc2)cc1 c1ccc2c(c[nH]c2c1)[*:1] c1ccc(cc1)-c1ncn(CC[*:1])c1-c1cccnc1
c1ccc(-c2ncn(CCc3c[nH]c4ccccc34)c2-c2cccnc2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)-c1c(ncn1CCc1c[nH]c2ccccc12)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c1 CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[*:1]
C[NH+]1CCN(c2ncc(/C=C/C(=O)c3cccc(O)c3)cn2)CC1 Oc1cccc(c1)[*:1] C[NH+]1CCN(CC1)c1ncc(/C=C/C(=O)[*:1])cn1
COc1ccc2ccccc2c1/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O O=[N+]([O-])[*:1] COc1ccc2ccccc2c1/C=C1/N=C(OC1=O)c1cccc(c1)[*:1]
COc1ccc2ccccc2c1/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc2ccccc2c1/C=C1/N=C(OC1=O)[*:1]
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1ccco1 O=[N+]([O-])[*:1] O=C(Cc1cccc(c1)[*:1])N1CCC[C@H]1C[C@@H](O)c1ccco1
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1ccco1 O[C@H](C[*:1])c1ccco1 O=C(Cc1cccc(c1)[N+](=O)[O-])N1CCC[C@@H]1[*:1]
O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1ccco1 c1coc(c1)[*:1] O=C(Cc1cccc(c1)[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)[*:1]
COc1cccc(CNC(=O)[C@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)c1 COc1cccc(c1)C[*:1] C[C@@H](C(=O)N[*:1])n1c2ccccc2c2cnn(C)c(=O)c21
COc1cccc(CNC(=O)[C@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)c1 COc1cccc(c1)[*:1] C[C@@H](C(=O)NC[*:1])n1c2ccccc2c2cnn(C)c(=O)c21
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Oc1ccc2nccnc2c1 CC(C)(C)C[*:1] O=C(Oc1ccc2nccnc2c1)[C@@H]1CCCN1C(=O)[*:1]
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Oc1ccc2nccnc2c1 CC(C)(C)[*:1] O=C(Oc1ccc2nccnc2c1)[C@@H]1CCCN1C(=O)C[*:1]
CN(C(=O)c1ccc2c(c1)NC(=O)CS2)C1(C#N)CCC1 N#CC1(CCC1)[*:1] CN(C(=O)c1ccc2SCC(=O)Nc2c1)[*:1]
CN1C(=S)S[C@H](/[N+]([O-])=C/c2ccc([N+](=O)[O-])cc2)C1(C)C O=[N+]([O-])[*:1] CN1C(=S)S[C@H](/[N+]([O-])=C/c2ccc(cc2)[*:1])C1(C)C
COc1ccc(-c2nc(C(=O)Nc3nc(CN4C[C@H](C)O[C@H](C)C4)cs3)cs2)cc1OC COc1ccc(cc1OC)[*:1] C[C@H]1CN(Cc2csc(n2)NC(=O)c2csc(n2)[*:1])C[C@@H](C)O1
CCN(CCO)C(=O)C1(c2ccccc2)CCCCC1 c1ccc(cc1)[*:1] CCN(CCO)C(=O)C1(CCCCC1)[*:1]
CCN(CCO)C(=O)C1(c2ccccc2)CCCCC1 OCC[*:1] CCN(C(=O)C1(CCCCC1)c1ccccc1)[*:1]
Cc1csc(COc2ccc(C[NH2+]C(C)C)nc2)n1 Cc1csc(n1)[*:1] CC(C)[NH2+]Cc1ccc(cn1)OC[*:1]
Cc1csc(COc2ccc(C[NH2+]C(C)C)nc2)n1 CC(C)[*:1] Cc1csc(COc2ccc(C[NH2+][*:1])nc2)n1
COCCOC1CCN(C(=O)Nc2cc(C)cc3cccnc23)CC1 COC[*:1] Cc1cc(NC(=O)N2CCC(CC2)OC[*:1])c2ncccc2c1
COCCOC1CCN(C(=O)Nc2cc(C)cc3cccnc23)CC1 COCCO[*:1] Cc1cc(NC(=O)N2CCC(CC2)[*:1])c2ncccc2c1
COCCOC1CCN(C(=O)Nc2cc(C)cc3cccnc23)CC1 COCC[*:1] Cc1cc(NC(=O)N2CCC(CC2)O[*:1])c2ncccc2c1
O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1Cl O=[N+]([O-])[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccccc1[*:1])Nc1ccccc1Cl
O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N[*:1]
O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1Cl O=[N+]([O-])c1ccccc1[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1ccccc1Cl
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1c3ccccc3C=C[C@H]21 CC(C)(C)[*:1] Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)[*:1])N1c3ccccc3C=C[C@H]21)[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1c3ccccc3C=C[C@H]21 Cc1cc(ccc1[*:1])[N+](=O)[O-] CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)[*:1]
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1c3ccccc3C=C[C@H]21 O=[N+]([O-])[*:1] Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1c3ccccc3C=C[C@H]21)[*:1]
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1c3ccccc3C=C[C@H]21 CC(C)(C)C(=O)[*:1] Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](N1c3ccccc3C=C[C@H]21)[*:1])[N+](=O)[O-]
O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@H]1CCSc2ccc(F)cc21 c1nc(cs1)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N[C@H]1CCSc2ccc(F)cc21
Cc1ccc(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1C Cc1ccc(cc1C)O[*:1] C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC[*:1]
Cc1ccc(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1C Cc1ccc(cc1C)OC[*:1] C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1C[*:1]
Cc1ccc(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)OCCn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
Cc1ccc(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1C Cc1ccc(cc1C)[*:1] C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCO[*:1]
Cc1ccc(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1C O=C(N[*:1])c1ccco1 Cc1ccc(cc1C)OCCn1c(nc2ccccc21)[C@H](C)[*:1]
CCc1ccc2c(c1)C(=O)C[C@H](C(=O)Nc1nnc(SC)s1)O2 CSc1nnc(s1)[*:1] CCc1ccc2O[C@H](CC(=O)c2c1)C(=O)N[*:1]
NC(=O)[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1 FC(F)(F)[*:1] NC(=O)[C@@H]1CN(CCO1)Cc1ccc(F)cc1[*:1]
NC(=O)[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1 NC(=O)[*:1] Fc1ccc(CN2CCO[C@@H](C2)[*:1])c(c1)C(F)(F)F
Cc1cc(C(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)ccc1Br Cc1cc(ccc1Br)[*:1] Cn1cc(/C=N/Nc2nc(n[nH]2)SCC(=O)[*:1])cn1
Cc1cc(C(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)ccc1Br Cn1cc(cn1)[*:1] Cc1cc(ccc1Br)C(=O)CSc1n[nH]c(n1)NN=C[*:1]
CCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)[C@H](C#N)c1nc(C)cs1
CCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1 Cc1csc(n1)[*:1] CCn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)[C@H](C#N)[*:1]
CC[C@H](NC(=O)N(C)CCc1cccs1)c1cccs1 c1csc(c1)C[*:1] CC[C@H](NC(=O)N(C)C[*:1])c1cccs1
CC[C@H](NC(=O)N(C)CCc1cccs1)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)N(C)CC[*:1])c1cccs1
CC[C@H](NC(=O)N(C)CCc1cccs1)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)N(C)CCc1cccs1)[*:1]
CCCNC(=O)C1CCN(C(=O)Nc2cccc(OCCC)c2)CC1 CCCO[*:1] CCCNC(=O)C1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
CCCNC(=O)C1CCN(C(=O)Nc2cccc(OCCC)c2)CC1 CCC[*:1] CCCOc1cccc(c1)NC(=O)N1CCC(CC1)C(=O)N[*:1]
CCCNC(=O)C1CCN(C(=O)Nc2cccc(OCCC)c2)CC1 CCCNC(=O)[*:1] CCCOc1cccc(c1)NC(=O)N1CCC(CC1)[*:1]
CCCNC(=O)C1CCN(C(=O)Nc2cccc(OCCC)c2)CC1 CCC[*:1] CCCNC(=O)C1CCN(CC1)C(=O)Nc1cccc(c1)O[*:1]
O=c1ccnc2n1[C@@H](CS(=O)(=O)c1ccc(Br)cc1)CS2 Brc1ccc(cc1)[*:1] O=c1ccnc2SC[C@H](CS(=O)(=O)[*:1])n21
CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)[C@H]1C2 O=S(=O)(N1CCOCC1)[*:1] CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3cccc(c3)[*:1])[C@H]1C2
C[NH+](Cc1ccccc1)Cc1nc(C(C)(C)C)no1 c1ccc(cc1)[*:1] C[NH+](Cc1nc(no1)C(C)(C)C)C[*:1]
C[NH+](Cc1ccccc1)Cc1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[NH+](Cc1ccccc1)Cc1nc(no1)[*:1]
COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccccn3)CC2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)[*:1]
COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccccn3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccn1)N1CCC(CC1)NS(=O)(=O)[*:1]
Cc1cc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)no1 c1coc(c1)[*:1] Cc1cc(no1)NC(=O)COc1cccc(c1)NC(=O)[*:1]
Cc1cc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)no1 Cc1cc(no1)[*:1] O=C(COc1cccc(c1)NC(=O)c1ccco1)N[*:1]
Cc1cc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)no1 O=C(N[*:1])c1ccco1 Cc1cc(no1)NC(=O)COc1cccc(c1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)NCc1cc[nH+]c(c1)N1CCCC1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 C[C@@H](c1ccccc1)[*:1] CN(C(=O)NCc1cc[nH+]c(c1)N1CCCC1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](c1ccccc1)N(C)C(=O)NCc1cc[nH+]c(c1)[*:1]
CCCOc1ccc(CN2C(=O)N[C@@H](C(C)C)C2=O)cc1 CCCO[*:1] CC(C)[C@@H]1NC(=O)N(Cc2ccc(cc2)[*:1])C1=O
CCCOc1ccc(CN2C(=O)N[C@@H](C(C)C)C2=O)cc1 CC(C)[*:1] CCCOc1ccc(cc1)CN1C(=O)N[C@@H](C1=O)[*:1]
CCCOc1ccc(CN2C(=O)N[C@@H](C(C)C)C2=O)cc1 CCC[*:1] CC(C)[C@@H]1NC(=O)N(Cc2ccc(cc2)O[*:1])C1=O
C=CCSc1nnc(-c2ccc(NC(=O)c3ccccc3OC)cc2)n1C C=CC[*:1] COc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(S[*:1])n1C
C=CCSc1nnc(-c2ccc(NC(=O)c3ccccc3OC)cc2)n1C C=CCS[*:1] COc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(n1C)[*:1]
C=CCSc1nnc(-c2ccc(NC(=O)c3ccccc3OC)cc2)n1C COc1ccccc1[*:1] C=CCSc1nnc(-c2ccc(cc2)NC(=O)[*:1])n1C
Cc1noc(C)c1[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 c1csc(c1)[*:1] Cc1noc(C)c1[C@H](C)C(=O)Nc1sc2CCCCc2c1C(=O)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 Cc1noc(C)c1[*:1] C[C@H](C(=O)Nc1sc2CCCCc2c1C(=O)c1cccs1)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 O=C(c1cccs1)[*:1] Cc1noc(C)c1[C@H](C)C(=O)Nc1sc2CCCCc2c1[*:1]
Cc1ccc(NC(=O)CCNC(=O)N2C[C@@H]3CC=CC[C@H]3C2)nc1 Cc1ccc(nc1)[*:1] O=C(CCNC(=O)N1C[C@@H]2CC=CC[C@H]2C1)N[*:1]
Cc1nc(SCC(=O)NCC2CCCCC2)n(C[C@@H]2CCCO2)c1C C1CCC(CC1)C[*:1] Cc1nc(SCC(=O)N[*:1])n(C[C@@H]2CCCO2)c1C
Cc1nc(SCC(=O)NCC2CCCCC2)n(C[C@@H]2CCCO2)c1C C1CCC(CC1)[*:1] Cc1nc(SCC(=O)NC[*:1])n(C[C@@H]2CCCO2)c1C
Cc1nc(SCC(=O)NCC2CCCCC2)n(C[C@@H]2CCCO2)c1C C1CO[C@@H](C1)C[*:1] Cc1nc(SCC(=O)NCC2CCCCC2)n(c1C)[*:1]
COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C CC(=O)O[*:1] COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C)[*:1]
COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C COC(=O)[C@@H](C)[*:1] CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H]([C@@]4(C)C(=O)C[C@H]32)[*:1])C1
COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C COC(=O)[*:1] CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)[*:1])[C@@]4(C)C(=O)C[C@H]32)C1
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1C[C@@](C)(OC)C1(C)C CCS(=O)(=O)C[*:1] CO[C@]1(C)C[C@H]([NH2+][C@H](C)[*:1])C1(C)C
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1C[C@@](C)(OC)C1(C)C CCS(=O)(=O)[*:1] CO[C@]1(C)C[C@H]([NH2+][C@H](C)C[*:1])C1(C)C
O=C(Nc1nnc(-c2ccc(F)cc2Cl)s1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1nnc(s1)-c1ccc(F)cc1Cl)[*:1]
COc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 c1csc(c1)[*:1] COc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)C[*:1]
COc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 c1csc(c1)C[*:1] COc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)[*:1]
CC(C)Cc1ccc([C@@H](C)NS(C)(=O)=O)cc1 CC(C)C[*:1] C[C@@H](NS(C)(=O)=O)c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H](C)NS(C)(=O)=O)cc1 CC(C)[*:1] C[C@@H](NS(C)(=O)=O)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@@H](C)NS(C)(=O)=O)cc1 CS(=O)(=O)N[*:1] CC(C)Cc1ccc(cc1)[C@@H](C)[*:1]
CC(C)(C)c1cc(C(=O)N(CCO)[C@@H]2CCCc3ccccc32)nc2ncnn12 CC(C)(C)[*:1] O=C(c1cc(n2ncnc2n1)[*:1])N(CCO)[C@@H]1CCCc2ccccc21
CC(C)(C)c1cc(C(=O)N(CCO)[C@@H]2CCCc3ccccc32)nc2ncnn12 OCC[*:1] CC(C)(C)c1cc(nc2ncnn12)C(=O)N([C@@H]1CCCc2ccccc21)[*:1]
CC[C@@H](Sc1nc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)OC c1coc(c1)[*:1] CC[C@@H](Sc1nc(nc2c1c(=O)n(C)c(=O)n2C)[*:1])C(=O)OC
CC[C@@H](Sc1nc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)OC COC(=O)[*:1] CC[C@@H](Sc1nc(nc2c1c(=O)n(C)c(=O)n2C)-c1ccco1)[*:1]
C[S@](=O)c1ccc(CNC(=O)Cc2ccccc2F)cc1 Fc1ccccc1[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)C[*:1]
CC[C@H]1C(=O)NCCN1Cc1cc(F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H]1C(=O)NCCN1Cc1cc(F)cc(c1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C1)C(=O)N1CCC[C@@H]1[*:1]
O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccccc2)C1 Clc1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N1CCC[C@H]1c1ccccc1
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])[C@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21
CC[NH2+]C1CCC([NH+](C)Cc2cccnc2)CC1 c1cncc(c1)[*:1] CC[NH2+]C1CCC(CC1)[NH+](C)C[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1c(Cl)nc2ccccn12 NC(=O)[*:1] O=C(/C=C/c1c(Cl)nc2ccccn12)N1Cc2ccccc2C[C@H]1[*:1]
CC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)nn1 Clc1ccc(nn1)[*:1] CC(=O)c1ccccc1NC(=O)CS[*:1]
CC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)nn1 CC(=O)[*:1] O=C(CSc1ccc(Cl)nn1)Nc1ccccc1[*:1]
CS(=O)(=O)Cc1ccc(C(=O)N(CC(F)(F)F)c2ccccn2)cc1 c1ccc(nc1)[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)N(CC(F)(F)F)[*:1]
CS(=O)(=O)Cc1ccc(C(=O)N(CC(F)(F)F)c2ccccn2)cc1 CS(=O)(=O)C[*:1] O=C(c1ccc(cc1)[*:1])N(CC(F)(F)F)c1ccccn1
CS(=O)(=O)Cc1ccc(C(=O)N(CC(F)(F)F)c2ccccn2)cc1 FC(F)(F)C[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)N(c1ccccn1)[*:1]
CS(=O)(=O)Cc1ccc(C(=O)N(CC(F)(F)F)c2ccccn2)cc1 FC(F)(F)[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)N(C[*:1])c1ccccn1
CS(=O)(=O)Cc1ccc(C(=O)N(CC(F)(F)F)c2ccccn2)cc1 CS(=O)(=O)[*:1] O=C(c1ccc(cc1)C[*:1])N(CC(F)(F)F)c1ccccn1
CO[C@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 c1ccc(C[*:1])nc1 CO[C@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)[*:1]
CO[C@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 c1ccc(nc1)[*:1] CO[C@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)C[*:1]
CO[C@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 CO[C@H]1CCCC[C@H]1[*:1] C[NH+](C)CCN(Cc1ccccn1)C(=O)N[*:1]
O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nnc(-c2cccs2)o1 O=S(=O)(N1CCCC1)[*:1] O=c1ccc(cn1Cc1nnc(o1)-c1cccs1)[*:1]
O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nnc(-c2cccs2)o1 c1csc(c1)[*:1] O=c1ccc(cn1Cc1nnc(o1)[*:1])S(=O)(=O)N1CCCC1
C[NH+](C)[C@H](CN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1)[*:1]
C[NH+](C)[C@H](CN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1)c1cccs1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccnc1)c1cccs1
C[NH+](C)[C@H](CN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1)c1cccs1 c1cncc(c1)[*:1] C[NH+](C)[C@H](CN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@H]1[*:1])c1cccs1
C[NH+](C)[C@H](CN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1)c1cccs1 O=C(c1ccccc1)[*:1] C[NH+](C)[C@H](CN1C(=O)C([O-])=C([C@@H]1c1cccnc1)[*:1])c1cccs1
COC[C@@H](O)CC[NH2+][C@H]1CC[C@H](C)c2ccccc21 COC[*:1] C[C@H]1CC[C@H]([NH2+]CC[C@H](O)[*:1])c2ccccc21
COC[C@@H](O)CC[NH2+][C@H]1CC[C@H](C)c2ccccc21 COC[C@@H](O)[*:1] C[C@H]1CC[C@H]([NH2+]CC[*:1])c2ccccc21
COC[C@@H](O)CC[NH2+][C@H]1CC[C@H](C)c2ccccc21 COC[C@@H](O)C[*:1] C[C@H]1CC[C@H]([NH2+]C[*:1])c2ccccc21
Cc1ncc(C[NH+]2CCN(CCO)CC2)c2cc(C(=O)c3ccc(Br)cc3)oc12 OCC[*:1] Cc1ncc(C[NH+]2CCN(CC2)[*:1])c2cc(oc12)C(=O)c1ccc(Br)cc1
Cc1ncc(C[NH+]2CCN(CCO)CC2)c2cc(C(=O)c3ccc(Br)cc3)oc12 Brc1ccc(cc1)[*:1] Cc1ncc(C[NH+]2CCN(CCO)CC2)c2cc(oc12)C(=O)[*:1]
Cc1ncc(C[NH+]2CCN(CCO)CC2)c2cc(C(=O)c3ccc(Br)cc3)oc12 O=C(c1ccc(Br)cc1)[*:1] Cc1ncc(C[NH+]2CCN(CCO)CC2)c2cc(oc12)[*:1]
COc1ccc([C@@H](NC(=O)Nc2cnc3c(cnn3C(C)C)c2)C2CC2)cc1 COc1ccc(cc1)[*:1] CC(C)n1ncc2cc(cnc21)NC(=O)N[C@@H](C1CC1)[*:1]
COc1ccc([C@@H](NC(=O)Nc2cnc3c(cnn3C(C)C)c2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)Nc1cnc2c(cnn2C(C)C)c1)[*:1]
COc1ccc([C@@H](NC(=O)Nc2cnc3c(cnn3C(C)C)c2)C2CC2)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)Nc1cnc2c(cnn2[*:1])c1)C1CC1
CCN(C)S(=O)(=O)c1c(C)nn(Cc2cc(F)cc3cccnc23)c1C CCN(C)S(=O)(=O)[*:1] Cc1nn(Cc2cc(F)cc3cccnc23)c(C)c1[*:1]
CO[C@H]1CCC[C@H](OC(=O)c2csc(Cc3ccccc3)n2)C1 c1ccc(cc1)[*:1] CO[C@H]1CCC[C@@H](C1)OC(=O)c1csc(C[*:1])n1
CO[C@H]1CCC[C@H](OC(=O)c2csc(Cc3ccccc3)n2)C1 c1ccc(cc1)C[*:1] CO[C@H]1CCC[C@@H](C1)OC(=O)c1csc(n1)[*:1]
C=C(C)Cn1c(SCc2ccc3ccccc3c2)nc2c1c(=O)[nH]c(=O)n2C C=C(C)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCc1ccc3ccccc3c1)n2C[*:1]
C=C(C)Cn1c(SCc2ccc3ccccc3c2)nc2c1c(=O)[nH]c(=O)n2C C=C(C)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCc1ccc3ccccc3c1)n2[*:1]
C[C@H]1CCCN(C(=O)Nc2ccccc2-n2ccnn2)[C@H]1CO c1cn(nn1)[*:1] C[C@H]1CCCN(C(=O)Nc2ccccc2[*:1])[C@H]1CO
Cn1ncnc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 Cn1ncnc1[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)N[*:1]
Cn1ncnc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 C1CCN(C1)[*:1] Cn1ncnc1NC(=O)NCc1cc[nH+]c(c1)[*:1]
C[C@@H]1CN(C(=O)c2cc3c(s2)CCC3)c2cc(F)ccc2C(=O)N1 c1c(sc2CCCc12)[*:1] C[C@@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1cc2cc(Cl)ccc2o1 Cc1csc(n1)[*:1] C=CCn1c(nnc1-c1cc2cc(Cl)ccc2o1)S[C@@H](C)C(=O)N[*:1]
C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1cc2cc(Cl)ccc2o1 C=CC[*:1] Cc1csc(n1)NC(=O)[C@H](C)Sc1nnc(-c2cc3cc(Cl)ccc3o2)n1[*:1]
C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1cc2cc(Cl)ccc2o1 Cc1csc(n1)NC(=O)[*:1] C=CCn1c(nnc1-c1cc2cc(Cl)ccc2o1)S[C@@H](C)[*:1]
C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1cc2cc(Cl)ccc2o1 Clc1ccc2oc(cc2c1)[*:1] C=CCn1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1nc(C)cs1
Cc1ccsc1CNc1nc(Cl)nc(N(C)C)n1 CN(C)[*:1] Cc1ccsc1CNc1nc(Cl)nc(n1)[*:1]
Cc1ccsc1CNc1nc(Cl)nc(N(C)C)n1 Cc1ccsc1[*:1] CN(C)c1nc(Cl)nc(n1)NC[*:1]
C#CCN(Cc1c(C(=O)N2CCCC2)nc2ccccn12)C1CCCCC1 O=C(N1CCCC1)[*:1] C#CCN(Cc1c(nc2ccccn12)[*:1])C1CCCCC1
C#CCN(Cc1c(C(=O)N2CCCC2)nc2ccccn12)C1CCCCC1 C#CC[*:1] O=C(c1nc2ccccn2c1CN(C1CCCCC1)[*:1])N1CCCC1
C#CCN(Cc1c(C(=O)N2CCCC2)nc2ccccn12)C1CCCCC1 C1CCC(CC1)[*:1] C#CCN(Cc1c(nc2ccccn12)C(=O)N1CCCC1)[*:1]
Cc1occc1-c1nnnn1C[C@@H](CC(C)C)C(=O)[O-] Cc1occc1[*:1] CC(C)C[C@H](Cn1nnnc1[*:1])C(=O)[O-]
Cc1occc1-c1nnnn1C[C@@H](CC(C)C)C(=O)[O-] CC(C)[*:1] Cc1occc1-c1nnnn1C[C@@H](C[*:1])C(=O)[O-]
Cc1occc1-c1nnnn1C[C@@H](CC(C)C)C(=O)[O-] O=C([O-])[*:1] Cc1occc1-c1nnnn1C[C@@H](CC(C)C)[*:1]
Cc1occc1-c1nnnn1C[C@@H](CC(C)C)C(=O)[O-] CC(C)C[*:1] Cc1occc1-c1nnnn1C[C@@H](C(=O)[O-])[*:1]
O=c1[nH]c(CSc2nnnn2-c2ccc(O)cc2)nc2ccccc12 Oc1ccc(cc1)[*:1] O=c1[nH]c(CSc2nnnn2[*:1])nc2ccccc12
NC(=O)NCc1cn(C2CCN(c3ncccc3F)CC2)nn1 NC(=O)N[*:1] Fc1cccnc1N1CCC(CC1)n1cc(C[*:1])nn1
NC(=O)NCc1cn(C2CCN(c3ncccc3F)CC2)nn1 Fc1cccnc1[*:1] NC(=O)NCc1cn(nn1)C1CCN(CC1)[*:1]
NC(=O)NCc1cn(C2CCN(c3ncccc3F)CC2)nn1 NC(=O)NC[*:1] Fc1cccnc1N1CCC(CC1)n1cc(nn1)[*:1]
C/C(=C\c1ccc(Br)cc1)C[NH2+]C(C)C CC(C)[*:1] C/C(=C\c1ccc(Br)cc1)C[NH2+][*:1]
CC[C@H](CC(=O)N[C@H](C#N)c1ccc(F)cc1F)C(C)C CC[C@H](C(C)C)[*:1] N#C[C@@H](NC(=O)C[*:1])c1ccc(F)cc1F
CC[C@H](CC(=O)N[C@H](C#N)c1ccc(F)cc1F)C(C)C CC[C@H](C[*:1])C(C)C N#C[C@@H](NC(=O)[*:1])c1ccc(F)cc1F
CC[C@H](CC(=O)N[C@H](C#N)c1ccc(F)cc1F)C(C)C CC(C)[*:1] CC[C@H](CC(=O)N[C@H](C#N)c1ccc(F)cc1F)[*:1]
CC(=O)Nc1ccc(NC(=O)c2cc(C#N)cs2)c(Cl)c1 N#Cc1csc(c1)[*:1] CC(=O)Nc1ccc(NC(=O)[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)c2cc(C#N)cs2)c(Cl)c1 CC(=O)N[*:1] N#Cc1csc(c1)C(=O)Nc1ccc(cc1Cl)[*:1]
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)nc2N)cc1C Cc1ccc(cc1C)[*:1] Nc1nc(ncc1S(=O)(=O)[*:1])SCC(=O)Nc1ccccc1F
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)nc2N)cc1C O=C(Nc1ccccc1F)[*:1] Cc1ccc(cc1C)S(=O)(=O)c1cnc(nc1N)SC[*:1]
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)nc2N)cc1C Fc1ccccc1[*:1] Cc1ccc(cc1C)S(=O)(=O)c1cnc(nc1N)SCC(=O)N[*:1]
Fc1ccccc1/C=N/Nc1nc(SCc2cccc(Br)c2)n[nH]1 Brc1cccc(c1)C[*:1] Fc1ccccc1/C=N/Nc1nc(n[nH]1)S[*:1]
Fc1ccccc1/C=N/Nc1nc(SCc2cccc(Br)c2)n[nH]1 Fc1ccccc1[*:1] Brc1cccc(c1)CSc1n[nH]c(n1)NN=C[*:1]
Fc1ccccc1/C=N/Nc1nc(SCc2cccc(Br)c2)n[nH]1 Brc1cccc(c1)[*:1] Fc1ccccc1/C=N/Nc1nc(n[nH]1)SC[*:1]
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC[C@@H]4CCCO4)c(Cl)c3N2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)c1nn2c(N[C@@H](C[C@H]2C(F)(F)F)[*:1])c1Cl
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC[C@@H]4CCCO4)c(Cl)c3N2)cc1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1)[C@@H]1C[C@H](n2nc(C(=O)NC[*:1])c(Cl)c2N1)C(F)(F)F
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC[C@@H]4CCCO4)c(Cl)c3N2)cc1 O=C(NC[C@@H]1CCCO1)[*:1] COc1ccc(cc1)[C@@H]1C[C@H](n2nc(c(Cl)c2N1)[*:1])C(F)(F)F
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC[C@@H]4CCCO4)c(Cl)c3N2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](n2nc(C(=O)NC[C@@H]3CCCO3)c(Cl)c2N1)[*:1]
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC[C@@H]4CCCO4)c(Cl)c3N2)cc1 C1CO[C@@H](C1)C[*:1] COc1ccc(cc1)[C@@H]1C[C@H](n2nc(C(=O)N[*:1])c(Cl)c2N1)C(F)(F)F
Cc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](c1cccc(c1)S(N)(=O)=O)N(C)C(=O)N[*:1]
Cc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1)NC(=O)N(C)[C@@H](C)c1cccc(c1)[*:1]
Cc1csc([C@H](C)NC(=O)Nc2ccc(N3CCCC3)[nH+]c2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)Nc1ccc([nH+]c1)N1CCCC1)[*:1]
Cc1csc([C@H](C)NC(=O)Nc2ccc(N3CCCC3)[nH+]c2)n1 C1CCN(C1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)Nc1ccc([nH+]c1)[*:1]
CC[C@@H](C)[C@H]1CN([C@@H](C)c2c(C)noc2C)CCC[NH2+]1 CC[C@@H](C)[*:1] Cc1noc(C)c1[C@H](C)N1CCC[NH2+][C@H](C1)[*:1]
COC(=O)c1cncc(C(=O)NCc2cccc(-c3ccccn3)c2)c1 c1ccc(nc1)[*:1] COC(=O)c1cncc(c1)C(=O)NCc1cccc(c1)[*:1]
COC(=O)c1cncc(C(=O)NCc2cccc(-c3ccccn3)c2)c1 COC(=O)[*:1] O=C(NCc1cccc(c1)-c1ccccn1)c1cncc(c1)[*:1]
C[C@@H](OC(=O)[C@@H]1COc2ccccc21)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@@H](OC(=O)[C@@H]1COc2ccccc21)[*:1]
CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 CC(=O)N[*:1] C[C@@H](NC(=O)Nc1ccc2OC(F)(F)Oc2c1)c1cccc(c1)[*:1]
COc1ccc([C@@H](C)NC[C@@H](O)c2ccccc2Cl)c(OC)c1 Clc1ccccc1[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC[C@@H](O)[*:1]
CC(C)n1ncc2cc(CN[C@@H](CC(F)(F)F)c3ccc(F)cc3)cnc21 FC(F)(F)C[*:1] CC(C)n1ncc2cc(cnc21)CN[C@@H](c1ccc(F)cc1)[*:1]
CC(C)n1ncc2cc(CN[C@@H](CC(F)(F)F)c3ccc(F)cc3)cnc21 FC(F)(F)[*:1] CC(C)n1ncc2cc(cnc21)CN[C@@H](C[*:1])c1ccc(F)cc1
CC(C)n1ncc2cc(CN[C@@H](CC(F)(F)F)c3ccc(F)cc3)cnc21 Fc1ccc(cc1)[*:1] CC(C)n1ncc2cc(cnc21)CN[C@@H](CC(F)(F)F)[*:1]
CC(C)n1ncc2cc(CN[C@@H](CC(F)(F)F)c3ccc(F)cc3)cnc21 CC(C)[*:1] Fc1ccc(cc1)[C@H](CC(F)(F)F)NCc1cnc2c(cnn2[*:1])c1
COCCn1cnc2c1c(=O)n(CC(=O)N1CCCCCC1)c(=O)n2Cc1ccccc1 c1ccc(cc1)C[*:1] COCCn1cnc2c1c(=O)n(CC(=O)N1CCCCCC1)c(=O)n2[*:1]
COCCn1cnc2c1c(=O)n(CC(=O)N1CCCCCC1)c(=O)n2Cc1ccccc1 O=C(C[*:1])N1CCCCCC1 COCCn1cnc2c1c(=O)n(c(=O)n2Cc1ccccc1)[*:1]
COCCn1cnc2c1c(=O)n(CC(=O)N1CCCCCC1)c(=O)n2Cc1ccccc1 COCC[*:1] O=C(Cn1c(=O)c2c(ncn2[*:1])n(Cc2ccccc2)c1=O)N1CCCCCC1
COCCn1cnc2c1c(=O)n(CC(=O)N1CCCCCC1)c(=O)n2Cc1ccccc1 O=C(N1CCCCCC1)[*:1] COCCn1cnc2c1c(=O)n(C[*:1])c(=O)n2Cc1ccccc1
COCCn1cnc2c1c(=O)n(CC(=O)N1CCCCCC1)c(=O)n2Cc1ccccc1 c1ccc(cc1)[*:1] COCCn1cnc2c1c(=O)n(CC(=O)N1CCCCCC1)c(=O)n2C[*:1]
COCCn1cnc2c1c(=O)n(CC(=O)N1CCCCCC1)c(=O)n2Cc1ccccc1 COC[*:1] O=C(Cn1c(=O)c2c(ncn2C[*:1])n(Cc2ccccc2)c1=O)N1CCCCCC1
COCc1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1 FC(F)(F)[*:1] COCc1cccc(c1)C(=O)N1CCCc2cc(ccc21)[*:1]
COCc1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1 COC[*:1] O=C(c1cccc(c1)[*:1])N1CCCc2cc(ccc21)C(F)(F)F
C[NH2+][C@@H]([C@@H](C)c1ccncc1)C1(CC(C)C)CCCC1 c1cc(ccn1)[*:1] C[NH2+][C@@H]([C@@H](C)[*:1])C1(CCCC1)CC(C)C
C[NH2+][C@@H]([C@@H](C)c1ccncc1)C1(CC(C)C)CCCC1 CC(C)C[*:1] C[NH2+][C@@H]([C@@H](C)c1ccncc1)C1(CCCC1)[*:1]
C[NH2+][C@@H]([C@@H](C)c1ccncc1)C1(CC(C)C)CCCC1 CC(C)[*:1] C[NH2+][C@@H]([C@@H](C)c1ccncc1)C1(CCCC1)C[*:1]
CN(C)c1cc(CNC(=O)c2ccc(F)cc2F)c2ccccc2[nH+]1 CN(C)[*:1] O=C(NCc1cc([nH+]c2ccccc12)[*:1])c1ccc(F)cc1F
CN(C)c1cc(CNC(=O)c2ccc(F)cc2F)c2ccccc2[nH+]1 Fc1ccc(c(F)c1)[*:1] CN(C)c1cc(CNC(=O)[*:1])c2ccccc2[nH+]1
C[NH2+][C@@H](c1ccc2c(c1)OCCO2)[C@H](C)OC CO[C@@H](C)[*:1] C[NH2+][C@@H](c1ccc2OCCOc2c1)[*:1]
CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 CC(C)[*:1] C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccccc1O[*:1]
CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 CC(C)O[*:1] C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccccc1[*:1]
O=C(NCCCOC1CCCCC1)N1CCO[C@@H](c2ccccc2)C1 C1CCC(CC1)[*:1] O=C(NCCCO[*:1])N1CCO[C@H](C1)c1ccccc1
O=C(NCCCOC1CCCCC1)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCCOC1CCCCC1)N1CCO[C@@H](C1)[*:1]
O=C(NCCCOC1CCCCC1)N1CCO[C@@H](c2ccccc2)C1 C1CCC(CC1)O[*:1] O=C(NCCC[*:1])N1CCO[C@H](C1)c1ccccc1
O=C(NCCCOC1CCCCC1)N1CCO[C@@H](c2ccccc2)C1 C1CCC(CC1)OC[*:1] O=C(NCC[*:1])N1CCO[C@H](C1)c1ccccc1
CC[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)N1CCCN(CC1)S(C)(=O)=O)[*:1]
O=C(/C=C/c1cccc2ccccc12)Nc1ccccc1-n1cncn1 c1ncn(n1)[*:1] O=C(/C=C/c1cccc2ccccc12)Nc1ccccc1[*:1]
COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cccc(c1)-c1nc2ccccc2c(=O)o1
Cc1cccc(-n2ccnc2SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1C c1cn(cn1)[*:1] Cc1cccc(c1C)-n1ccnc1SCC(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1cccc(-n2ccnc2SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1C Cc1cccc(c1C)[*:1] C[C@@H](NC(=O)CSc1nccn1[*:1])c1ccc(cc1)-n1ccnc1
C[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2cccs2)CC[C@@H]1[NH3+] c1csc(c1)[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])CC(=O)N1CCC[C@H]1[*:1]
O=C(CCN1C(=O)CSc2ccccc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 O=c1[nH]c2ccccc2n1[*:1] O=C(CCN1C(=O)CSc2ccccc21)N1CCC(CC1)[*:1]
CCN(Cc1ccc(Br)s1)C(=O)CCCCO OCC[*:1] CCN(Cc1ccc(Br)s1)C(=O)CC[*:1]
CCN(Cc1ccc(Br)s1)C(=O)CCCCO OCCCC[*:1] CCN(Cc1ccc(Br)s1)C(=O)[*:1]
CCN(Cc1ccc(Br)s1)C(=O)CCCCO OCCC[*:1] CCN(Cc1ccc(Br)s1)C(=O)C[*:1]
O=C(CCn1ccccc1=O)NO[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] O=C(CCn1ccccc1=O)NO[*:1]
Cc1cncc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 C1CN(CCO1)[*:1] Cc1cncc(c1)NC(=O)[C@H]1CC(=O)N(CC[*:1])C1
Cc1cncc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 C1CN(CCO1)CC[*:1] Cc1cncc(c1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1cncc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCN2CCOCC2)C1
Cc1cncc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 C1CN(CCO1)C[*:1] Cc1cncc(c1)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
CCOC(=O)C1=C(C[NH+]2CCOCC2)NC(=O)N[C@@H]1c1ccccc1OC CCOC(=O)[*:1] COc1ccccc1[C@H]1NC(=O)NC(C[NH+]2CCOCC2)=C1[*:1]
CCOC(=O)C1=C(C[NH+]2CCOCC2)NC(=O)N[C@@H]1c1ccccc1OC COc1ccccc1[*:1] CCOC(=O)C1=C(C[NH+]2CCOCC2)NC(=O)N[C@H]1[*:1]
Cc1cccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(F)cc43)C3=C2CCCC3=O)c1 Cc1cccc(c1)[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@]12C(=O)Nc1ccc(F)cc12)[*:1]
[NH3+]CC/C=C/C[C@@H]1Cc2ccccc21 [NH3+]CC[*:1] C(=C[*:1])C[C@@H]1Cc2ccccc21
CC(C)CNC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21 CC(C)CNC(=O)[*:1] O=c1n(C[*:1])c2cccnc2n1-c1ccc(F)cc1
CC(C)CNC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21 CC(C)CNC(=O)C[*:1] O=c1n(-c2ccc(F)cc2)c2ncccc2n1[*:1]
CC(C)CNC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21 Fc1ccc(cc1)[*:1] CC(C)CNC(=O)Cn1c(=O)n(c2ncccc21)[*:1]
CC(C)CNC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21 CC(C)[*:1] O=C(Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21)NC[*:1]
CC(C)CNC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21 CC(C)C[*:1] O=C(Cn1c(=O)n(-c2ccc(F)cc2)c2ncccc21)N[*:1]
C[C@H](CC(=O)N(Cc1ccco1)c1ccccn1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(C[*:1])N(Cc1ccco1)c1ccccn1
C[C@H](CC(=O)N(Cc1ccco1)c1ccccn1)c1ccccc1 c1coc(c1)C[*:1] C[C@H](CC(=O)N(c1ccccn1)[*:1])c1ccccc1
C[C@H](CC(=O)N(Cc1ccco1)c1ccccn1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N(Cc1ccco1)c1ccccn1)[*:1]
C[C@H](CC(=O)N(Cc1ccco1)c1ccccn1)c1ccccc1 c1ccc(nc1)[*:1] C[C@H](CC(=O)N(Cc1ccco1)[*:1])c1ccccc1
C[C@H](CC(=O)N(Cc1ccco1)c1ccccn1)c1ccccc1 c1coc(c1)[*:1] C[C@H](CC(=O)N(C[*:1])c1ccccn1)c1ccccc1
O=C([C@H]1C=NN=C1c1ccc([N+](=O)[O-])cc1)N1CCOCC1 O=[N+]([O-])[*:1] O=C([C@H]1C=NN=C1c1ccc(cc1)[*:1])N1CCOCC1
CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21 Clc1ccccc1[*:1] CC(=O)N1CC(C)(C)c2cc(ccc21)S(=O)(=O)N[*:1]
Cc1ccc(C[C@@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)C2CC2)cc1 Cc1cc(n[nH]1)[*:1] Cc1ccc(cc1)C[C@@H]([NH2+][C@H](C)C[*:1])C1CC1
Cc1ccc(C[C@@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)C[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)[*:1]
Cc1ccc(C[C@@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)C2CC2)cc1 Cc1cc(C[*:1])n[nH]1 Cc1ccc(cc1)C[C@@H]([NH2+][C@H](C)[*:1])C1CC1
Cc1ccc(C[C@@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)C2CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C[C@@H](C)[NH2+][C@H](C[*:1])C2CC2)n[nH]1
Cc1nc2ccccn2c1C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 CC(C)[*:1] Cc1nc2ccccn2c1C(=O)Nc1ccc2CCCN(C(=O)[*:1])c2c1
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc4[nH]c(=O)[nH]c4c3)o2)cc1Cl O=c1[nH]c2ccc(cc2[nH]1)[*:1] Cc1ccc(cc1Cl)-c1ccc(/C=C/C(=O)NC(=S)N[*:1])o1
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc4[nH]c(=O)[nH]c4c3)o2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(/C=C/c1ccc(o1)[*:1])NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1
CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(C)c2c1 CC(C)(C)[*:1] CC[C@H](C)[C@@H](NC(=O)O[*:1])C(=O)Nc1ccc2oc(=O)n(C)c2c1
CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(C)c2c1 CC(C)(C)OC(=O)N[*:1] CC[C@H](C)[C@@H](C(=O)Nc1ccc2oc(=O)n(C)c2c1)[*:1]
CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(C)c2c1 CC[C@H](C)[*:1] Cn1c(=O)oc2ccc(cc21)NC(=O)[C@H](NC(=O)OC(C)(C)C)[*:1]
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NN1CCOCC1 c1coc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NN1CCOCC1
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NN1CCOCC1 CC(C)[*:1] O=C(N[C@@H](C(=O)NN1CCOCC1)[*:1])c1ccco1
O=C(Nc1ccncc1)c1cc2ccccc2n1Cc1ccccc1F c1cc(ccn1)[*:1] O=C(N[*:1])c1cc2ccccc2n1Cc1ccccc1F
O=C(Nc1ccncc1)c1cc2ccccc2n1Cc1ccccc1F Fc1ccccc1C[*:1] O=C(Nc1ccncc1)c1cc2ccccc2n1[*:1]
O=C(Nc1ccncc1)c1cc2ccccc2n1Cc1ccccc1F Fc1ccccc1[*:1] O=C(Nc1ccncc1)c1cc2ccccc2n1C[*:1]
CCN(CC(C)(C)O)C(=O)c1cccc(OCc2c(C)noc2C)c1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)c1cccc(c1)OCc1c(C)noc1C
CCN(CC(C)(C)O)C(=O)c1cccc(OCc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] CCN(CC(C)(C)O)C(=O)c1cccc(c1)OC[*:1]
CCN(CC(C)(C)O)C(=O)c1cccc(OCc2c(C)noc2C)c1 Cc1noc(C)c1C[*:1] CCN(CC(C)(C)O)C(=O)c1cccc(c1)O[*:1]
CCN(CC(C)(C)O)C(=O)c1cccc(OCc2c(C)noc2C)c1 CC(C)(O)C[*:1] CCN(C(=O)c1cccc(c1)OCc1c(C)noc1C)[*:1]
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccs1)c1ccc(F)cc1 c1csc(c1)[*:1] O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1[*:1])c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccs1)c1ccc(F)cc1 c1csc(n1)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1cccs1)[*:1])c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccs1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccs2)N1c1nccs1
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(Sc3nc4ccccc4[nH]3)c2)CC1 c1ccc2[nH]c(nc2c1)[*:1] CS(=O)(=O)N1CCN(CC1)c1ccc(c(c1)S[*:1])[N+](=O)[O-]
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(Sc3nc4ccccc4[nH]3)c2)CC1 O=[N+]([O-])[*:1] CS(=O)(=O)N1CCN(CC1)c1ccc(c(c1)Sc1nc2ccccc2[nH]1)[*:1]
CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccn2)cc1Cl c1ccc(nc1)[*:1] CCOc1ccc(cc1Cl)-c1[nH]ncc1C(=O)NC[*:1]
CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccn2)cc1Cl CCO[*:1] O=C(NCc1ccccn1)c1cn[nH]c1-c1ccc(c(Cl)c1)[*:1]
CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccn2)cc1Cl c1ccc(C[*:1])nc1 CCOc1ccc(cc1Cl)-c1[nH]ncc1C(=O)N[*:1]
CCOc1ccc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)NNS(=O)(=O)C=C[*:1]
CCOc1ccc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)cc1 CCO[*:1] O=C(NNS(=O)(=O)/C=C/c1ccccc1)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)cc1 C(=C[*:1])c1ccccc1 CCOc1ccc(cc1)C(=O)NNS(=O)(=O)[*:1]
N#Cc1ccccc1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O N#Cc1ccccc1[*:1] O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[*:1]
CCOc1ccc(NC(=O)NCc2ccc([S@](C)=O)cc2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)NCc1ccc(cc1)[S@](C)=O
CC(C)(C)CN(CCCO)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 CC(C)(C)C[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@@H](C1)NC(=O)N(CCCO)[*:1]
CC(C)(C)CN(CCCO)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 N#Cc1ccc(c(F)c1)[*:1] CC(C)(C)CN(CCCO)C(=O)N[C@H]1CCCN(C1)[*:1]
CC(C)(C)CN(CCCO)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 CC(C)(C)[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@@H](C1)NC(=O)N(CCCO)C[*:1]
CC(C)(C)CN(CCCO)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 OCC[*:1] CC(C)(C)CN(C[*:1])C(=O)N[C@H]1CCCN(C1)c1ccc(C#N)cc1F
CC(C)(C)CN(CCCO)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 OCCC[*:1] CC(C)(C)CN(C(=O)N[C@H]1CCCN(C1)c1ccc(C#N)cc1F)[*:1]
Cc1cc(C)cc(OCCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C([C@@H]1CCCO1)N1CCN(CCO[*:1])CC1
CC(C)Cn1ccnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c1=O CC(C)C[*:1] O=c1c(nccn1[*:1])NCc1cc[nH+]c(c1)N1CCCCCC1
CC(C)Cn1ccnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c1=O CC(C)[*:1] O=c1c(nccn1C[*:1])NCc1cc[nH+]c(c1)N1CCCCCC1
CC(C)Cn1ccnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c1=O C1CCCN(CC1)[*:1] CC(C)Cn1ccnc(NCc2cc[nH+]c(c2)[*:1])c1=O
CC(C)N1CCn2c(nc3cc(NC(=O)c4ccccc4)ccc32)C1 CC(C)[*:1] O=C(Nc1ccc2c(c1)nc1CN(CCn12)[*:1])c1ccccc1
CC(C)N1CCn2c(nc3cc(NC(=O)c4ccccc4)ccc32)C1 c1ccc(cc1)[*:1] CC(C)N1CCn2c(C1)nc1cc(ccc12)NC(=O)[*:1]
CC(C)N(C)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 O=C1CCCN1C[*:1] CC(C)N(C)C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CC(C)N(C)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)N(C)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(c1)[*:1]
CC(C)N(C)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 O=C1CCCN1[*:1] CC(C)N(C)C(=O)N[C@@H](C[*:1])c1cccc(c1)C(F)(F)F
CC(C)N(C)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 CC(C)[*:1] CN(C(=O)N[C@@H](CN1CCCC1=O)c1cccc(c1)C(F)(F)F)[*:1]
CC(C)N(C)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 CC(C)N(C)C(=O)N[*:1] O=C1CCCN1C[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cnc(N(C)C)s3)C2)n1 Cc1cccc(n1)[*:1] CN(C)c1ncc(CN2CCC[C@@H](C2)C(=O)N[*:1])s1
Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cnc(N(C)C)s3)C2)n1 CN(C)[*:1] Cc1cccc(n1)NC(=O)[C@H]1CCCN(Cc2cnc(s2)[*:1])C1
Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cnc(N(C)C)s3)C2)n1 CN(C)c1ncc(s1)[*:1] Cc1cccc(n1)NC(=O)[C@H]1CCCN(C1)C[*:1]
O=C1COc2ncc(C(=O)NCCCC(=O)NC3CCCC3)cc2N1 O=C(NC1CCCC1)[*:1] O=C1COc2ncc(cc2N1)C(=O)NCCC[*:1]
O=C1COc2ncc(C(=O)NCCCC(=O)NC3CCCC3)cc2N1 C1CCC(C1)[*:1] O=C1COc2ncc(cc2N1)C(=O)NCCCC(=O)N[*:1]
COC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccccc1Br COC(=O)CC[*:1] O=C(N[*:1])[C@H]1C[C@H]1c1ccccc1Br
COC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccccc1Br COC(=O)[*:1] O=C(NCC[*:1])[C@H]1C[C@H]1c1ccccc1Br
COC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccccc1Br COC(=O)C[*:1] O=C(NC[*:1])[C@H]1C[C@H]1c1ccccc1Br
Cc1cc(C)cc(CSc2cc(C(=O)[O-])cc(Cl)n2)c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)CSc1cc(cc(Cl)n1)[*:1]
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1C[C@H](C)O[C@@H](C)C1 CC(C)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)[*:1]
CCN(CC[C@@H]1[NH+]=c2ccc(C)cc2=[NH+]1)C(=O)CSc1nncn1C Cn1cnnc1SC[*:1] CCN(CC[C@@H]1[NH+]=c2ccc(C)cc2=[NH+]1)C(=O)[*:1]
CCN(CC[C@@H]1[NH+]=c2ccc(C)cc2=[NH+]1)C(=O)CSc1nncn1C Cn1cnnc1S[*:1] CCN(CC[C@@H]1[NH+]=c2ccc(C)cc2=[NH+]1)C(=O)C[*:1]
CCN(CC[C@@H]1[NH+]=c2ccc(C)cc2=[NH+]1)C(=O)CSc1nncn1C Cn1cnnc1[*:1] CCN(CC[C@@H]1[NH+]=c2ccc(C)cc2=[NH+]1)C(=O)CS[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)O[*:1] Cc1ocnc1CNC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)[*:1] Cc1ocnc1CNC(=O)C(=O)Nc1cccc(c1)O[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 Cc1ocnc1[*:1] O=C(NC[*:1])C(=O)Nc1cccc(c1)Oc1ccncc1
C[C@@H](C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](C(=O)Nc1ccc2OCC(=O)N(C)c2c1)[*:1]
CCO[C@@H]1C[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C12CCC2 c1ncn(n1)[*:1] CCO[C@@H]1C[C@H](NC(=O)c2ccc(cc2)[*:1])C12CCC2
CCO[C@@H]1C[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C12CCC2 CCO[*:1] O=C(N[C@H]1C[C@H](C12CCC2)[*:1])c1ccc(cc1)-n1cncn1
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)C1 O=C(N1CCCCC1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)[*:1]
O=C(c1cnc(-c2cnccn2)s1)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C(c1cnc(s1)-c1cnccn1)N1CCC[C@@H]1C[*:1]
O=C(c1cnc(-c2cnccn2)s1)N1CCC[C@@H]1Cn1cccn1 c1cnc(cn1)[*:1] O=C(c1cnc(s1)[*:1])N1CCC[C@@H]1Cn1cccn1
O=C(c1cnc(-c2cnccn2)s1)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C(c1cnc(s1)-c1cnccn1)N1CCC[C@H]1[*:1]
O=C(c1cccc(O)c1)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1cccc(O)c1)N1CCN(C/C=C/c2ccccc2[*:1])CC1
O=C(c1cccc(O)c1)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(c1cccc(O)c1)N1CCN(CC=C[*:1])CC1
O=C(c1cccc(O)c1)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 Oc1cccc(c1)[*:1] O=C(N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H](C)Oc3ccc(C)cc32)c1C CC(=O)[*:1] Cc1ccc2O[C@H](C)CN(C(=O)c3[nH]c(C)c(c3C)[*:1])c2c1
O=C(NCc1cccc(Cn2cncn2)c1)Nc1nc(C2CC2)cs1 C1CC1[*:1] O=C(NCc1cccc(c1)Cn1cncn1)Nc1nc(cs1)[*:1]
O=C(NCc1cccc(Cn2cncn2)c1)Nc1nc(C2CC2)cs1 c1ncn(n1)[*:1] O=C(NCc1cccc(c1)C[*:1])Nc1nc(cs1)C1CC1
O=C(NCc1cccc(Cn2cncn2)c1)Nc1nc(C2CC2)cs1 c1sc(nc1C1CC1)[*:1] O=C(NCc1cccc(c1)Cn1cncn1)N[*:1]
O=C(NCc1cccc(Cn2cncn2)c1)Nc1nc(C2CC2)cs1 c1ncn(C[*:1])n1 O=C(NCc1cccc(c1)[*:1])Nc1nc(cs1)C1CC1
Cc1ccc(Cl)cc1NC(=O)CC(=O)N[C@@H](C)Cc1ccccn1 Cc1ccc(Cl)cc1[*:1] C[C@@H](Cc1ccccn1)NC(=O)CC(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)CC(=O)N[C@@H](C)Cc1ccccn1 c1ccc(nc1)[*:1] Cc1ccc(Cl)cc1NC(=O)CC(=O)N[C@@H](C)C[*:1]
Cc1ccc(Cl)cc1NC(=O)CC(=O)N[C@@H](C)Cc1ccccn1 c1ccc(C[*:1])nc1 Cc1ccc(Cl)cc1NC(=O)CC(=O)N[C@@H](C)[*:1]
COc1ccc2nc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)sc2c1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc2nc(NC(=O)c3ccc(F)c(c3)[*:1])sc2c1
C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccccn1 c1ccc(nc1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)N[*:1]
C[C@H]1OCC[C@@H]1C(=O)N1CCN(CCCCC[NH3+])CC1 [NH3+]CC[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCN(CCC[*:1])CC1
C[C@H]1OCC[C@@H]1C(=O)N1CCN(CCCCC[NH3+])CC1 [NH3+]CCCC[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCN(CC1)C[*:1]
C[C@H]1OCC[C@@H]1C(=O)N1CCN(CCCCC[NH3+])CC1 [NH3+]CCCCC[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCN(CC1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)N1CCN(CCCCC[NH3+])CC1 [NH3+]CCC[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCN(CC1)CC[*:1]
O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(C/C=C/c2ccccc2)CC1 C(=C/c1ccccc1)\C[*:1] O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(CC1)[*:1]
O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(C/C=C/c2ccccc2)CC1 Fc1ccc(c(F)c1F)[*:1] O=S(=O)(N1CCN(C/C=C/c2ccccc2)CC1)[*:1]
O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(CC=C[*:1])CC1
O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(CC1)C[*:1]
CC(C)[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)[C@@H]([NH2+]C1CCN(CC1)C(N)=O)[*:1]
CC(C)[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)[C@H]([NH2+]C1CCN(CC1)C(N)=O)c1ccc(cc1)[*:1]
O=C1c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H](c2ccc(F)cc2)N1CCCO Oc1ccc(Cl)cc1[*:1] O=C1c2[nH]nc(c2[C@H](c2ccc(F)cc2)N1CCCO)[*:1]
O=C1c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H](c2ccc(F)cc2)N1CCCO OCCC[*:1] O=C1c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H](c2ccc(F)cc2)N1[*:1]
O=C1c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H](c2ccc(F)cc2)N1CCCO Fc1ccc(cc1)[*:1] O=C1c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H](N1CCCO)[*:1]
O=C1c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H](c2ccc(F)cc2)N1CCCO OCC[*:1] O=C1c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H](c2ccc(F)cc2)N1C[*:1]
O=C(NCc1nccn1Cc1ccccc1)c1ccc(N2CCCC2)nc1 c1ccc(cc1)C[*:1] O=C(NCc1nccn1[*:1])c1ccc(nc1)N1CCCC1
O=C(NCc1nccn1Cc1ccccc1)c1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] O=C(NCc1nccn1Cc1ccccc1)c1ccc(nc1)[*:1]
O=C(NCc1nccn1Cc1ccccc1)c1ccc(N2CCCC2)nc1 c1ccc(cc1)[*:1] O=C(NCc1nccn1C[*:1])c1ccc(nc1)N1CCCC1
COCCCNC(=O)Nc1cc(C)c2nc(NC(C)=O)sc2c1 CC(=O)N[*:1] COCCCNC(=O)Nc1cc(C)c2nc(sc2c1)[*:1]
COCCCNC(=O)Nc1cc(C)c2nc(NC(C)=O)sc2c1 COCC[*:1] CC(=O)Nc1nc2c(C)cc(cc2s1)NC(=O)NC[*:1]
COCCCNC(=O)Nc1cc(C)c2nc(NC(C)=O)sc2c1 COCCC[*:1] CC(=O)Nc1nc2c(C)cc(cc2s1)NC(=O)N[*:1]
COCCCNC(=O)Nc1cc(C)c2nc(NC(C)=O)sc2c1 COC[*:1] CC(=O)Nc1nc2c(C)cc(cc2s1)NC(=O)NCC[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCCc1ccc(C)c(OC)c1 CCc1nn(C)cc1[*:1] COc1cc(ccc1C)CCNC(=O)C(=O)N[*:1]
CC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1Cl)C2=O CC(=O)O[*:1] Cc1c(ccc2C(=O)/C(=C/c3ccc(Cl)cc3Cl)Oc21)[*:1]
CC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1Cl)C2=O Clc1ccc(c(Cl)c1)[*:1] CC(=O)Oc1ccc2C(=O)C(=C[*:1])Oc2c1C
CC1(C)C(C(=O)NCC2(S(C)(=O)=O)CCOCC2)C1(C)C CC1(C)C(C1(C)C)[*:1] CS(=O)(=O)C1(CCOCC1)CNC(=O)[*:1]
CC1(C)C(C(=O)NCC2(S(C)(=O)=O)CCOCC2)C1(C)C CS(=O)(=O)[*:1] CC1(C)C(C(=O)NCC2(CCOCC2)[*:1])C1(C)C
Cc1nc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccccc2)sc1C c1ccc(cc1)[*:1] Cc1nc(sc1C)N1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1[*:1]
Cc1nc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccccc2)sc1C Cc1nc(sc1C)[*:1] O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2)N1[*:1]
COc1ccc2[nH]cc(CC(=O)NC[C@](C)(O)c3ccsc3)c2c1 c1cc(cs1)[*:1] COc1ccc2[nH]cc(CC(=O)NC[C@](C)(O)[*:1])c2c1
COc1cc(C)ccc1NCc1ccc(C2CC2)cc1 C1CC1[*:1] COc1cc(C)ccc1NCc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)Nc3ccc(C#N)cc3)C2)CC1 CC(C)(C)[*:1] N#Cc1ccc(cc1)NC(=O)N1CC(C1)S(=O)(=O)N1CCN(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)Nc3ccc(C#N)cc3)C2)CC1 N#Cc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C1CN(C1)C(=O)N[*:1]
Cc1cc(C(=O)NCCCOCC(F)(F)F)c(C)s1 FC(F)(F)CO[*:1] Cc1cc(C(=O)NCCC[*:1])c(C)s1
Cc1cc(C(=O)NCCCOCC(F)(F)F)c(C)s1 FC(F)(F)C[*:1] Cc1cc(C(=O)NCCCO[*:1])c(C)s1
Cc1cc(C(=O)NCCCOCC(F)(F)F)c(C)s1 FC(F)(F)[*:1] Cc1cc(C(=O)NCCCOC[*:1])c(C)s1
CCC[NH2+][C@@H](C)c1ccc(Sc2nnnn2C)cc1 CCC[*:1] C[C@H]([NH2+][*:1])c1ccc(cc1)Sc1nnnn1C
CCC[NH2+][C@@H](C)c1ccc(Sc2nnnn2C)cc1 Cn1nnnc1[*:1] CCC[NH2+][C@@H](C)c1ccc(cc1)S[*:1]
COc1ccc(CNC(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 C[S@](=O)[*:1] COc1ccc(cc1)CNC(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
COc1ccc(CNC(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)NC[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 CN(C)C(=O)[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)N[C@@H](Cc1ccccc1)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](C[*:1])NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 c1ccc(cc1)C[*:1] CN(C)C(=O)[C@H](NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2Br)C1 NS(=O)(=O)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1cc(ccc1Br)[*:1]
OCCN1CC[NH+](Cn2nc(-c3ccc(F)cc3)n(-c3ccccc3)c2=S)CC1 c1ccc(cc1)[*:1] OCCN1CC[NH+](CC1)Cn1nc(-c2ccc(F)cc2)n(c1=S)[*:1]
OCCN1CC[NH+](Cn2nc(-c3ccc(F)cc3)n(-c3ccccc3)c2=S)CC1 OCC[*:1] Fc1ccc(cc1)-c1nn(C[NH+]2CCN(CC2)[*:1])c(=S)n1-c1ccccc1
OCCN1CC[NH+](Cn2nc(-c3ccc(F)cc3)n(-c3ccccc3)c2=S)CC1 Fc1ccc(cc1)[*:1] OCCN1CC[NH+](CC1)Cn1nc(n(-c2ccccc2)c1=S)[*:1]
N#Cc1cccc(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@@H]3C2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)CN1C[C@@H]2OCC(=O)N([C@@H]2C1)[*:1]
N#Cc1cccc(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@@H]3C2)c1 N#Cc1cccc(c1)[*:1] O=C1CO[C@H]2CN(C[C@H]2N1c1ccccc1)C[*:1]
CCOC(=O)c1ccc(NC(=O)N2Cc3ccccc3[C@H](N3CCOCC3)c3ccccc32)cc1 C1CN(CCO1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)N1Cc2ccccc2[C@H](c2ccccc21)[*:1]
CCOC(=O)c1ccc(NC(=O)N2Cc3ccccc3[C@H](N3CCOCC3)c3ccccc32)cc1 CCOC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])N1Cc2ccccc2[C@@H](c2ccccc21)N1CCOCC1
CCOC(=O)c1ccc(NC(=O)N2Cc3ccccc3[C@H](N3CCOCC3)c3ccccc32)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1Cc2ccccc2[C@@H](c2ccccc21)N1CCOCC1
CC[NH2+][C@@]1(C(=O)OC)CCC[C@H](Sc2cccc(F)c2)C1 COC(=O)[*:1] CC[NH2+][C@]1(CCC[C@@H](C1)Sc1cccc(F)c1)[*:1]
CC[NH2+][C@@]1(C(=O)OC)CCC[C@H](Sc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CC[NH2+][C@]1(CCC[C@@H](C1)S[*:1])C(=O)OC
CC(=O)Nc1cc(NC(=O)c2cc(C(C)C)[nH]n2)c(F)cc1F CC(=O)N[*:1] CC(C)c1cc(n[nH]1)C(=O)Nc1cc(c(F)cc1F)[*:1]
CC(=O)Nc1cc(NC(=O)c2cc(C(C)C)[nH]n2)c(F)cc1F CC(C)[*:1] CC(=O)Nc1cc(NC(=O)c2cc([nH]n2)[*:1])c(F)cc1F
C[C@@H]1C[C@@H]1C(=O)N1CSC[C@@H]1C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CSC[C@H]1[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CSC[C@@H]1C(=O)N(C)C C[C@@H]1C[C@H]1[*:1] CN(C)C(=O)[C@H]1CSCN1C(=O)[*:1]
C[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(Cl)c(Cl)c1 CN(C)C(=O)[*:1] C[C@H]([NH2+]C[C@H]1CC[C@H](O1)[*:1])c1ccc(Cl)c(Cl)c1
C[C@@H](CNC(=O)Cc1noc2ccccc12)Oc1ccccc1F Fc1ccccc1[*:1] C[C@@H](CNC(=O)Cc1noc2ccccc12)O[*:1]
C[C@@H](CNC(=O)Cc1noc2ccccc12)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@@H](CNC(=O)Cc1noc2ccccc12)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1)[*:1]
C[C@H]([NH2+]CCn1cnnc1C1CC1)c1ccc(F)cc1Br C1CC1[*:1] C[C@H]([NH2+]CCn1cnnc1[*:1])c1ccc(F)cc1Br
Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)Nc1ccccc1[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2S(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1ccccc1S(C)(=O)=O)[*:1]
O=C(CN1CCOC[C@@H]1C1CC1)Nc1ccccc1 C1CC1[*:1] O=C(CN1CCOC[C@H]1[*:1])Nc1ccccc1
O=C(CN1CCOC[C@@H]1C1CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCOC[C@@H]1C1CC1)N[*:1]
Cc1cc(C[NH2+]Cc2ccccc2OC(F)F)ccc1Br FC(F)O[*:1] Cc1cc(ccc1Br)C[NH2+]Cc1ccccc1[*:1]
Cc1cc(C[NH2+]Cc2ccccc2OC(F)F)ccc1Br FC(F)[*:1] Cc1cc(ccc1Br)C[NH2+]Cc1ccccc1O[*:1]
NC(=O)CCNC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 NC(=O)[*:1] O=C(NCC[*:1])N[C@H]1CCCC[C@@H]1Cc1ccccc1
NC(=O)CCNC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 NC(=O)CC[*:1] O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)N[*:1]
NC(=O)CCNC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] NC(=O)CCNC(=O)N[C@H]1CCCC[C@H]1[*:1]
NC(=O)CCNC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 NC(=O)C[*:1] O=C(NC[*:1])N[C@H]1CCCC[C@@H]1Cc1ccccc1
NC(=O)CCNC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] NC(=O)CCNC(=O)N[C@H]1CCCC[C@@H]1C[*:1]
O=S(=O)(/N=C(\[O-])C1=Cc2ccccc2OC1)c1ccccc1Br Brc1ccccc1[*:1] O=S(=O)(/N=C(\[O-])C1=Cc2ccccc2OC1)[*:1]
Cc1ccc(OC(=O)c2cccc(OCC(F)F)n2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OC(=O)c2cccc(n2)OCC(F)F)c(c1)[*:1]
Cc1ccc(OC(=O)c2cccc(OCC(F)F)n2)c([N+](=O)[O-])c1 FC(F)CO[*:1] Cc1ccc(OC(=O)c2cccc(n2)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(OC(=O)c2cccc(OCC(F)F)n2)c([N+](=O)[O-])c1 FC(F)[*:1] Cc1ccc(OC(=O)c2cccc(n2)OC[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(OC(=O)c2cccc(OCC(F)F)n2)c([N+](=O)[O-])c1 FC(F)C[*:1] Cc1ccc(OC(=O)c2cccc(n2)O[*:1])c(c1)[N+](=O)[O-]
CC(C)C[C@H](O)CNC(=O)C[C@H](O)c1ccccc1 CC(C)[*:1] O=C(C[C@H](O)c1ccccc1)NC[C@@H](O)C[*:1]
CC(C)C[C@H](O)CNC(=O)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@H](O)CNC(=O)C[C@H](O)[*:1]
CC(C)C[C@H](O)CNC(=O)C[C@H](O)c1ccccc1 CC(C)C[C@H](O)[*:1] O=C(C[C@H](O)c1ccccc1)NC[*:1]
CC(C)C[C@H](O)CNC(=O)C[C@H](O)c1ccccc1 CC(C)C[*:1] O=C(C[C@H](O)c1ccccc1)NC[C@@H](O)[*:1]
COc1ccc(C[C@H](C)CN(C)c2ccc(C(=O)N(C)C)cn2)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)C[C@H](C)CN(C)c1ccc(cn1)[*:1]
COc1ccc(C[C@H](C)CN(C)c2ccc(C(=O)N(C)C)cn2)cc1 COc1ccc(cc1)[*:1] C[C@H](CN(C)c1ccc(cn1)C(=O)N(C)C)C[*:1]
CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)c2ccc3c(c2)CCCC3)C1 CS(=O)(=O)[*:1] O=C(O[C@@H]1CC[C@H](C1)[*:1])c1ccc2CCCCc2c1
Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCNC(=O)C2(C)C)s1 Fc1ccc(cc1)[*:1] Cc1nc(c(CC(=O)N2CCNC(=O)C2(C)C)s1)[*:1]
CN(C)c1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)cc1 Brc1ccc(cc1)[*:1] CN(C)c1ccc(cc1)-c1cc(nc(N)c1C#N)[*:1]
CN(C)c1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)cc1 CN(C)[*:1] N#Cc1c(cc(nc1N)-c1ccc(Br)cc1)-c1ccc(cc1)[*:1]
CSCc1cc(F)ccc1CNC(=O)N[C@H](C)c1ncc(C)s1 CSC[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NCc1ccc(F)cc1[*:1]
CSCc1cc(F)ccc1CNC(=O)N[C@H](C)c1ncc(C)s1 Cc1cnc(s1)[*:1] CSCc1cc(F)ccc1CNC(=O)N[C@H](C)[*:1]
COCC(=O)[C@H](C#N)c1ccccc1OC COC[*:1] COc1ccccc1[C@@H](C#N)C(=O)[*:1]
COCC(=O)[C@H](C#N)c1ccccc1OC COCC(=O)[*:1] COc1ccccc1[C@@H](C#N)[*:1]
CC(C)NC(=O)c1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1 CC(C)[*:1] [NH3+][C@H]1CCC[C@H](C1)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)c1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1 CC(C)NC(=O)[*:1] [NH3+][C@H]1CCC[C@H](C1)Nc1ccc(cc1)[*:1]
Fc1ccc(Cn2nnnc2[C@H](c2ccc(Cl)cc2)N2CC[NH+](C3CCCC3)CC2)cc1 Fc1ccc(cc1)[*:1] Clc1ccc(cc1)[C@@H](c1nnnn1C[*:1])N1CC[NH+](CC1)C1CCCC1
Fc1ccc(Cn2nnnc2[C@H](c2ccc(Cl)cc2)N2CC[NH+](C3CCCC3)CC2)cc1 Clc1ccc(cc1)[*:1] Fc1ccc(cc1)Cn1nnnc1[C@H](N1CC[NH+](CC1)C1CCCC1)[*:1]
Fc1ccc(Cn2nnnc2[C@H](c2ccc(Cl)cc2)N2CC[NH+](C3CCCC3)CC2)cc1 Fc1ccc(cc1)C[*:1] Clc1ccc(cc1)[C@@H](c1nnnn1[*:1])N1CC[NH+](CC1)C1CCCC1
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)/C=C/c2ccccc2Cl)CC3)no1 Cc1cc(no1)[*:1] O=C(/C=C/c1ccccc1Cl)N1CCc2nc(NC(=O)[*:1])sc2C1
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)/C=C/c2ccccc2Cl)CC3)no1 Clc1ccccc1[*:1] Cc1cc(no1)C(=O)Nc1nc2CCN(Cc2s1)C(=O)C=C[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)/C=C/c2ccccc2Cl)CC3)no1 Cc1cc(no1)C(=O)N[*:1] O=C(/C=C/c1ccccc1Cl)N1CCc2nc(sc2C1)[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)/C=C/c2ccccc2Cl)CC3)no1 Clc1ccccc1C=C[*:1] Cc1cc(no1)C(=O)Nc1nc2CCN(Cc2s1)C(=O)[*:1]
CCN(Cc1cnn(C)c1)C(=O)c1cc(C)ccc1NC(=O)N(C)C CN(C)C(=O)N[*:1] CCN(Cc1cnn(C)c1)C(=O)c1cc(C)ccc1[*:1]
CCN(Cc1cnn(C)c1)C(=O)c1cc(C)ccc1NC(=O)N(C)C Cn1cc(cn1)[*:1] CCN(C[*:1])C(=O)c1cc(C)ccc1NC(=O)N(C)C
CCN(Cc1cnn(C)c1)C(=O)c1cc(C)ccc1NC(=O)N(C)C Cn1cc(cn1)C[*:1] CCN(C(=O)c1cc(C)ccc1NC(=O)N(C)C)[*:1]
CNC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 CNC(=O)[*:1] C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)[*:1]
CNC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 c1ccc(cc1)[*:1] CNC(=O)[C@@H]1CC(=O)N(C1)[C@@H](C)[*:1]
COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1OC c1coc(c1)[*:1] COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](c1ccccc1OC)[*:1]
COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1OC COc1ccccc1[*:1] COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](c1ccco1)[*:1]
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2Cl)O[C@H]1c1cccc(F)c1 O=[N+]([O-])[*:1] CC(=O)N1N=C(O[C@H]1c1cccc(F)c1)c1ccc(cc1Cl)[*:1]
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2Cl)O[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(=O)N1N=C(O[C@@H]1[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
CCC(=O)NCc1cc[nH+]c(N(C)C)c1 CCC(=O)N[*:1] CN(C)c1cc(cc[nH+]1)C[*:1]
CCC(=O)NCc1cc[nH+]c(N(C)C)c1 CN(C)[*:1] CCC(=O)NCc1cc[nH+]c(c1)[*:1]
Cc1cccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1C CC(C)(C)C(=O)N[*:1] Cc1cccc(NC(=O)c2cccc(c2)[*:1])c1C
Cc1cccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1C Cc1cccc(c1C)[*:1] CC(C)(C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1cccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1C CC(C)(C)[*:1] Cc1cccc(NC(=O)c2cccc(c2)NC(=O)[*:1])c1C
Cc1cc(NC(=O)Cn2ncc3cc(-c4c(C)cccc4C)ccc32)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1cccc(C)c1-c1ccc2c(cnn2CC(=O)N[*:1])c1
Cc1cc(NC(=O)Cn2ncc3cc(-c4c(C)cccc4C)ccc32)n(C)n1 Cc1cccc(C)c1[*:1] Cc1cc(NC(=O)Cn2ncc3cc(ccc32)[*:1])n(C)n1
CC(C)c1ccc(NC[C@H](C)C(N)=O)cc1 CC(C)[*:1] C[C@@H](CNc1ccc(cc1)[*:1])C(N)=O
CC(C)c1ccc(NC[C@H](C)C(N)=O)cc1 NC(=O)[*:1] CC(C)c1ccc(cc1)NC[C@H](C)[*:1]
CC(C)c1ccc(NC[C@H](C)C(N)=O)cc1 C[C@H](C(N)=O)[*:1] CC(C)c1ccc(cc1)NC[*:1]
CC(=O)Nc1ccc(SCC(=O)NCCc2nc3ccccc3[nH]2)cc1 CC(=O)N[*:1] O=C(CSc1ccc(cc1)[*:1])NCCc1nc2ccccc2[nH]1
COCCn1/c(=N\C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)sc2ccccc21 COCC[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)/N=c1/sc2ccccc2n1[*:1]
COCCn1/c(=N\C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)sc2ccccc21 COC[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)/N=c1/sc2ccccc2n1C[*:1]
COc1cc(OC)c(C(=O)c2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1cc(OC)c(C(=O)[*:1])c(c1)OC
Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)CSc1nnc(C)n1[*:1]
Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2C)cc1 Cc1c(Cl)cccc1[*:1] Cc1ccc(cc1)-n1c(C)nnc1SCC(=O)N[*:1]
O=C(N/N=C/c1cccs1)[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1cccs1)[C@H]1C[C@H]1[*:1]
O=C(N/N=C/c1cccs1)[C@H]1C[C@@H]1c1ccccc1 c1csc(c1)[*:1] O=C(NN=C[*:1])[C@H]1C[C@@H]1c1ccccc1
COc1ccc2cc(C(=O)N(C[C@@H]3CCCCO3)C(C)C)[nH]c2c1 C1CC[C@@H](C[*:1])OC1 COc1ccc2cc([nH]c2c1)C(=O)N(C(C)C)[*:1]
COc1ccc2cc(C(=O)N(C[C@@H]3CCCCO3)C(C)C)[nH]c2c1 CC(C)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N(C[C@@H]1CCCCO1)[*:1]
COc1ccc2cc(C(=O)N(C[C@@H]3CCCCO3)C(C)C)[nH]c2c1 C1CC[C@H](OC1)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N(C[*:1])C(C)C
COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2ncc(C)s2)n1 COC[*:1] Cc1cc(nc(n1)[C@H]1CCCN1C(=O)C[*:1])Nc1ncc(C)s1
COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2ncc(C)s2)n1 Cc1cnc(s1)[*:1] COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(n1)N[*:1]
COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2ncc(C)s2)n1 COCC[*:1] Cc1cc(nc(n1)[C@H]1CCCN1C(=O)[*:1])Nc1ncc(C)s1
COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2ncc(C)s2)n1 Cc1cnc(N[*:1])s1 COCCC(=O)N1CCC[C@@H]1c1nc(C)cc(n1)[*:1]
CCNC(=O)[C@@H]1C[C@@H](c2cccc(OCC)c2)CCN1 CCNC(=O)[*:1] CCOc1cccc(c1)[C@H]1CCN[C@@H](C1)[*:1]
CCNC(=O)[C@@H]1C[C@@H](c2cccc(OCC)c2)CCN1 CCO[*:1] CCNC(=O)[C@@H]1C[C@H](CCN1)c1cccc(c1)[*:1]
CCCCNC(=O)N1CCCC[C@H]1c1nc(CCC)no1 CCC[*:1] CCCCNC(=O)N1CCCC[C@H]1c1nc(no1)[*:1]
CCCCNC(=O)N1CCCC[C@H]1c1nc(CCC)no1 CCC[*:1] CCCc1noc(n1)[C@@H]1CCCCN1C(=O)NC[*:1]
CCCCNC(=O)N1CCCC[C@H]1c1nc(CCC)no1 CCCC[*:1] CCCc1noc(n1)[C@@H]1CCCCN1C(=O)N[*:1]
Cc1ccc(/C=C/C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 C1CC1c1nc(no1)[*:1] Cc1ccc(/C=C/C(=O)N2CCN(CC2)c2ccc(cc2)[*:1])cc1
Cc1ccc(/C=C/C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 C1CC1[*:1] Cc1ccc(/C=C/C(=O)N2CCN(CC2)c2ccc(cc2)-c2noc(n2)[*:1])cc1
Cc1ccc(/C=C/C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 Cc1ccc(C=C[*:1])cc1 O=C(N1CCN(CC1)c1ccc(cc1)-c1noc(n1)C1CC1)[*:1]
Cc1ccc(/C=C/C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCN(CC1)c1ccc(cc1)-c1noc(n1)C1CC1
Cc1ccc(S(=O)(=O)N(c2ccccc2)c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N(c2ccccc2)c2ccc(O)cc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N(c1ccccc1)c1ccc(O)cc1)[*:1]
Cc1ccc(S(=O)(=O)N(c2ccccc2)c2ccc(O)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1ccc(O)cc1)[*:1]
CSC[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccccc1Cl CSC[*:1] C[C@H](NC(=O)N(C)[C@H](C)[*:1])c1ccccc1Cl
CC1(C)Cc2c(sc(NC(=O)[C@@H]3CC(Cl)=CC[C@H]3C(=O)[O-])c2C#N)CO1 O=C([O-])[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)[C@@H]1CC(Cl)=CC[C@@H]1[*:1])c2C#N
COc1ccc(Cl)cc1C[C@H](O)c1ccccc1C1CC1 C1CC1[*:1] COc1ccc(Cl)cc1C[C@H](O)c1ccccc1[*:1]
Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](Cc4cnc(N(C)C)s4)CC3)c2)s1 CN(C)c1ncc(s1)[*:1] Cc1nnc(s1)-c1cccc(c1)NC(=O)C1CC[NH+](CC1)C[*:1]
Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](Cc4cnc(N(C)C)s4)CC3)c2)s1 Cc1nnc(s1)[*:1] CN(C)c1ncc(C[NH+]2CCC(CC2)C(=O)Nc2cccc(c2)[*:1])s1
Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](Cc4cnc(N(C)C)s4)CC3)c2)s1 CN(C)[*:1] Cc1nnc(s1)-c1cccc(c1)NC(=O)C1CC[NH+](CC1)Cc1cnc(s1)[*:1]
C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)[*:1]
C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1 c1csc(c1)[*:1] C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)[*:1])c1ccc(F)cc1
O=C(CCSc1ccccn1)N[C@H]1CCc2ccc(F)cc21 c1ccc(nc1)[*:1] O=C(CCS[*:1])N[C@H]1CCc2ccc(F)cc21
O=C(CCSc1ccccn1)N[C@H]1CCc2ccc(F)cc21 c1ccc(nc1)S[*:1] O=C(CC[*:1])N[C@H]1CCc2ccc(F)cc21
Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)Cc4ccccc4)CC3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Nc1cc(C)nc(n1)N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)Cc4ccccc4)CC3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(nc(n1)N1CCN(CC1)C(=O)Cc1ccccc1)N[*:1]
Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)Cc4ccccc4)CC3)n2)cc1 Cc1ccc(cc1)N[*:1] Cc1cc(nc(n1)N1CCN(CC1)C(=O)Cc1ccccc1)[*:1]
Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)Cc4ccccc4)CC3)n2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)Nc1cc(C)nc(n1)N1CCN(CC1)C(=O)[*:1]
Cc1cc2c(=O)[nH]c(CSCC(=O)NCc3cccnc3)nc2s1 c1cncc(c1)[*:1] Cc1cc2c(=O)[nH]c(CSCC(=O)NC[*:1])nc2s1
Cc1cc2c(=O)[nH]c(CSCC(=O)NCc3cccnc3)nc2s1 c1cncc(c1)C[*:1] Cc1cc2c(=O)[nH]c(CSCC(=O)N[*:1])nc2s1
CC(=O)Nc1cc(NCc2cnc(C)n2-c2ccccc2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NCc1cnc(C)n1-c1ccccc1
CC(=O)Nc1cc(NCc2cnc(C)n2-c2ccccc2)ccc1C c1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1C)NCc1cnc(C)n1[*:1]
CC(C)OCCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 CC(C)OCC[*:1] O=C(Nc1nc(cs1)-c1cc(F)ccc1F)[*:1]
CC(C)OCCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 CC(C)[*:1] O=C(CCO[*:1])Nc1nc(cs1)-c1cc(F)ccc1F
CC(C)OCCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 CC(C)OC[*:1] O=C(C[*:1])Nc1nc(cs1)-c1cc(F)ccc1F
CC(C)OCCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 CC(C)O[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1cc(F)ccc1F
Cc1cc(Br)cnc1N[C@@H](C)CCc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Br)cnc1N[C@@H](C)CC[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCc1ccsc1 c1cc(cs1)[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CC[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCc1ccsc1 COC(=O)[*:1] O=C(CCc1ccsc1)N[C@@H]1CCCCC[C@H]1[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCc1ccsc1 c1cc(cs1)C[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)C[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCc1ccsc1 c1cc(cs1)CC[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[*:1]
Cc1ccc(NC(=O)NNc2ccccc2F)cc1NC(=O)C(C)(C)C CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)[*:1])NC(=O)NNc1ccccc1F
Cc1ccc(NC(=O)NNc2ccccc2F)cc1NC(=O)C(C)(C)C Fc1ccccc1[*:1] Cc1ccc(cc1NC(=O)C(C)(C)C)NC(=O)NN[*:1]
Cc1ccc(NC(=O)NNc2ccccc2F)cc1NC(=O)C(C)(C)C CC(C)(C)C(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)NNc1ccccc1F
CCC[C@H]1CC[C@@H](C#N)[C@H](N2CCN(CC)C(=O)C2=O)C1 CCC[*:1] CCN1CCN(C(=O)C1=O)[C@@H]1C[C@H](CC[C@H]1C#N)[*:1]
COc1ccccc1/C=C/CN1CCO[C@@H](c2cccs2)C1 c1csc(c1)[*:1] COc1ccccc1/C=C/CN1CCO[C@@H](C1)[*:1]
COc1ccc(NC(=O)NC(=O)COc2cc(C)ccc2F)cc1 Cc1ccc(F)c(c1)[*:1] COc1ccc(cc1)NC(=O)NC(=O)CO[*:1]
COc1ccc(NC(=O)NC(=O)COc2cc(C)ccc2F)cc1 COc1ccc(cc1)[*:1] Cc1ccc(F)c(c1)OCC(=O)NC(=O)N[*:1]
CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCc2nc(COC)nn2C1 COC[*:1] CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCc2nc(nn2C1)[*:1]
CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCc2nc(COC)nn2C1 Cc1ccc(cc1)C[*:1] CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)[*:1]
CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCc2nc(COC)nn2C1 Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])[NH2+][C@@H]1CCc2nc(COC)nn2C1
CC(C)(CO)NC(=O)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 CC(C)(CO)[*:1] O=C(N[*:1])[C@@H]1CC(=NO1)c1ccc(Cl)c(Cl)c1
O=C([O-])c1cc(S[C@H]2CCOC2=O)cs1 O=C([O-])[*:1] O=C1OCC[C@@H]1Sc1csc(c1)[*:1]
COCCNC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 COCCNC(=O)[*:1] Cc1ccc(cc1)-c1cc(c2c(C)nn(c2n1)[C@H]1CCS(=O)(=O)C1)[*:1]
COCCNC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)[*:1] COCCNC(=O)c1cc(nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1)[*:1]
COCCNC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 COCC[*:1] Cc1ccc(cc1)-c1cc(C(=O)N[*:1])c2c(C)nn(c2n1)[C@H]1CCS(=O)(=O)C1
COCCNC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 COC[*:1] Cc1ccc(cc1)-c1cc(C(=O)NC[*:1])c2c(C)nn(c2n1)[C@H]1CCS(=O)(=O)C1
Cc1nc(Cl)nc(NCc2ccco2)c1[N+](=O)[O-] c1coc(c1)[*:1] Cc1nc(Cl)nc(NC[*:1])c1[N+](=O)[O-]
Cc1nc(Cl)nc(NCc2ccco2)c1[N+](=O)[O-] c1coc(c1)C[*:1] Cc1nc(Cl)nc(N[*:1])c1[N+](=O)[O-]
Cc1nc(Cl)nc(NCc2ccco2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nc(Cl)nc(NCc2ccco2)c1[*:1]
O=C(COc1ccc2ccccc2c1Br)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(COc1ccc2ccccc2c1Br)NC[*:1]
O=C(COc1ccc2ccccc2c1Br)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(COc1ccc2ccccc2c1Br)N[*:1]
CCOC(=O)[C@H]1C(O)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1OC COc1ccccc1[*:1] CCOC(=O)[C@H]1C(O)=Nc2nc3ccccc3n2[C@H]1[*:1]
CCOC(=O)[C@H]1C(O)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1OC CCOC(=O)[*:1] COc1ccccc1[C@@H]1[C@H](C(O)=Nc2nc3ccccc3n21)[*:1]
C#CCN(C(=O)N[C@@H](C)c1cc(C)c(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] Cc1cc(cc(C)c1F)[C@H](C)NC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(C(=O)N[C@@H](C)c1cc(C)c(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)N[C@@H](C)c1cc(C)c(F)c(C)c1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 N#CC[*:1] C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 c1cc(ccn1)[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)S(=O)(=O)NCCC#N)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 N#CCCNS(=O)(=O)[*:1] C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(cc1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 N#CCC[*:1] C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccsc1[C@H](C)[NH2+]Cc1cccc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] Cc1ccsc1[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
Cc1ccsc1[C@H](C)[NH2+]Cc1cccc(-c2nc[nH]n2)c1 Cc1ccsc1[*:1] C[C@H]([NH2+]Cc1cccc(c1)-c1nc[nH]n1)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N1 O=C(Nc1ccccc1)[*:1] CC1Nc2nnnn2[C@@H](C=1[*:1])c1ccc(Cl)cc1Cl
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N1 Clc1ccc(c(Cl)c1)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)Nc1ccccc1)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N1 c1ccc(cc1)[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)N[*:1])c1ccc(Cl)cc1Cl
CCOC[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 CCO[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 CCOC[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 CC(=O)[*:1] CCOC[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)(C)N(CC(N)=O)C(=O)[O-] NC(=O)C[*:1] CC(C)(C)N(C(=O)[O-])[*:1]
CC(C)(C)N(CC(N)=O)C(=O)[O-] NC(=O)[*:1] CC(C)(C)N(C[*:1])C(=O)[O-]
CC(C)(C)N(CC(N)=O)C(=O)[O-] CC(C)(C)[*:1] NC(=O)CN(C(=O)[O-])[*:1]
COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)Cc1csc(n1)[*:1]
COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(cs1)CN1CCN(CC1)C(=O)[*:1]
COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1nc(cs1)CN1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ccc(-c3ccc(C)c(S(=O)(=O)NCC[NH+]4CCCCCC4)c3)nn2)n1 Cc1cc(C)n(n1)[*:1] Cc1ccc(cc1S(=O)(=O)NCC[NH+]1CCCCCC1)-c1ccc(nn1)[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCc1nnc2n1CCCC2 Clc1ccc(c(Cl)c1)[*:1] C[C@H](O[*:1])C(=O)NCCCc1nnc2CCCCn21
CCCN(C(=O)N(CC)CC)[C@@]1(C[NH3+])CCC[C@H](C)C1 CCC[*:1] CCN(CC)C(=O)N([C@@]1(C[NH3+])CCC[C@H](C)C1)[*:1]
Cc1cccc(NC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 Cc1cccc(c1)[*:1] O=C(CN1C(=O)CCc2cc(ccc21)S(=O)(=O)N1CCCCC1)N[*:1]
Cc1cccc(NC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 O=S(=O)(N1CCCCC1)[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)CCc2cc(ccc21)[*:1]
Cc1cccc(NC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 Cc1cccc(c1)NC(=O)[*:1] O=C1CCc2cc(ccc2N1C[*:1])S(=O)(=O)N1CCCCC1
Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(CSc1nccn2nc(cc12)-c1ccccc1)N[*:1]
Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)CSc1nccn2nc(cc12)[*:1]
Cc1occc1-c1nnc(SCc2cccc(OCC(F)(F)F)c2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])SCc1cccc(c1)OCC(F)(F)F
Cc1occc1-c1nnc(SCc2cccc(OCC(F)(F)F)c2)n1C FC(F)(F)[*:1] Cc1occc1-c1nnc(SCc2cccc(c2)OC[*:1])n1C
Cc1occc1-c1nnc(SCc2cccc(OCC(F)(F)F)c2)n1C FC(F)(F)CO[*:1] Cc1occc1-c1nnc(SCc2cccc(c2)[*:1])n1C
Cc1occc1-c1nnc(SCc2cccc(OCC(F)(F)F)c2)n1C FC(F)(F)C[*:1] Cc1occc1-c1nnc(SCc2cccc(c2)O[*:1])n1C
COC(=O)c1cc(CNc2ccc(C(F)(F)F)cn2)ccc1OC COC(=O)[*:1] COc1ccc(cc1[*:1])CNc1ccc(cn1)C(F)(F)F
COC(=O)c1cc(CNc2ccc(C(F)(F)F)cn2)ccc1OC FC(F)(F)[*:1] COC(=O)c1cc(ccc1OC)CNc1ccc(cn1)[*:1]
CCOc1ccc(-c2c[nH]c(-c3ccc(O)cc3)[nH+]2)cc1 Oc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1c[nH]c([nH+]1)[*:1]
CCOc1ccc(-c2c[nH]c(-c3ccc(O)cc3)[nH+]2)cc1 CCO[*:1] Oc1ccc(cc1)-c1[nH]cc([nH+]1)-c1ccc(cc1)[*:1]
O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1c[nH]c2ccccc12)N[C@@H](C[*:1])c1ccccc1
O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)c1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(C[*:1])N[C@@H](Cc1ccccc1)c1ccccc1
O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)[*:1]
O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1c[nH]c2ccccc12)N[C@@H](c1ccccc1)[*:1]
Cc1cnc(CNC(=O)NNc2ccccc2Cl)s1 Cc1cnc(s1)[*:1] O=C(NC[*:1])NNc1ccccc1Cl
Cn1cnnc1CCC(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] Cn1cnnc1CCC(=O)N1CCCC[C@@H]1C[*:1]
Cn1cnnc1CCC(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 Cn1cnnc1C[*:1] O=C(C[*:1])N1CCCC[C@@H]1CCc1ccc(O)cc1
Cn1cnnc1CCC(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] Cn1cnnc1CCC(=O)N1CCCC[C@@H]1CC[*:1]
Cn1cnnc1CCC(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 Cn1cnnc1CC[*:1] O=C(N1CCCC[C@@H]1CCc1ccc(O)cc1)[*:1]
Cn1cnnc1CCC(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 Cn1cnnc1[*:1] O=C(CC[*:1])N1CCCC[C@@H]1CCc1ccc(O)cc1
CCCCNC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 CCC[*:1] O=C(NC[*:1])Nc1cccc(c1)CC[NH+]1CCCC1
CCCCNC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 CCCC[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)N[*:1]
CCOC(=O)CCCNC(=O)[C@H]1CN(C)CCO1 CCOC(=O)C[*:1] CN1CCO[C@H](C1)C(=O)NCC[*:1]
CCOC(=O)CCCNC(=O)[C@H]1CN(C)CCO1 CCOC(=O)[*:1] CN1CCO[C@H](C1)C(=O)NCCC[*:1]
CC[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NCc1ccccc1 Fc1ccccc1[*:1] CC[C@H](Sc1nc(n[nH]1)[*:1])C(=O)NCc1ccccc1
CC[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](Sc1nc(n[nH]1)-c1ccccc1F)C(=O)NC[*:1]
CC[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CC[C@H](Sc1nc(n[nH]1)-c1ccccc1F)C(=O)N[*:1]
C[C@@H]([NH2+]CC1CCC1)c1cccc(C(F)(F)F)c1 C1CC(C1)C[*:1] C[C@@H]([NH2+][*:1])c1cccc(c1)C(F)(F)F
C[C@@H]([NH2+]CC1CCC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H]([NH2+]CC1CCC1)c1cccc(c1)[*:1]
C[C@@H]([NH2+]CC1CCC1)c1cccc(C(F)(F)F)c1 C1CC(C1)[*:1] C[C@@H]([NH2+]C[*:1])c1cccc(c1)C(F)(F)F
Cc1ccccc1CNC(=O)N1CCC(CC(N)=O)CC1 NC(=O)C[*:1] Cc1ccccc1CNC(=O)N1CCC(CC1)[*:1]
Cc1ccccc1CNC(=O)N1CCC(CC(N)=O)CC1 NC(=O)[*:1] Cc1ccccc1CNC(=O)N1CCC(CC1)C[*:1]
Cc1ccccc1CNC(=O)N1CCC(CC(N)=O)CC1 Cc1ccccc1[*:1] NC(=O)CC1CCN(CC1)C(=O)NC[*:1]
CCC[NH2+][C@@H](Cc1nccn1CC)[C@H]1COCCO1 CCC[*:1] CCn1ccnc1C[C@H]([NH2+][*:1])[C@H]1COCCO1
CCC[NH2+][C@@H](Cc1nccn1CC)[C@H]1COCCO1 C1CO[C@H](CO1)[*:1] CCC[NH2+][C@@H](Cc1nccn1CC)[*:1]
CC(C)N(C[C@@H](C)O)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CC(C)[*:1] C[C@@H](O)CN(C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
CC(C)N(C[C@@H](C)O)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C[C@@H](O)C[*:1] CC(C)N(C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
CC(C)N(C[C@@H](C)O)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CC(C)N(C[C@@H](C)O)C(=O)N[C@@H]1CCO[C@H]1[*:1]
CC(C)N(C[C@@H](C)O)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C[C@@H](O)[*:1] CC(C)N(C[*:1])C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)C1 c1ccc2c(c[nH]c2c1)C[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)C1 c1ccc2c(c[nH]c2c1)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NCC[*:1]
CN(C[C@@H](O)C1CC1)C(=O)c1c(O)cc(F)cc1F O[C@@H](C1CC1)[*:1] CN(C[*:1])C(=O)c1c(O)cc(F)cc1F
CN(C[C@@H](O)C1CC1)C(=O)c1c(O)cc(F)cc1F C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)c1c(O)cc(F)cc1F
CN(C[C@@H](O)C1CC1)C(=O)c1c(O)cc(F)cc1F O[C@H](C[*:1])C1CC1 CN(C(=O)c1c(O)cc(F)cc1F)[*:1]
Cc1n[nH]c(C)c1NC(=O)CS(=O)(=O)[C@H](C)C(C)C CC(C)[*:1] Cc1n[nH]c(C)c1NC(=O)CS(=O)(=O)[C@H](C)[*:1]
COCCN(Cc1ccoc1)C(=O)CC(C)(C)C CC(C)(C)C[*:1] COCCN(Cc1ccoc1)C(=O)[*:1]
COCCN(Cc1ccoc1)C(=O)CC(C)(C)C c1cc(co1)C[*:1] COCCN(C(=O)CC(C)(C)C)[*:1]
COCCN(Cc1ccoc1)C(=O)CC(C)(C)C CC(C)(C)[*:1] COCCN(Cc1ccoc1)C(=O)C[*:1]
COCCN(Cc1ccoc1)C(=O)CC(C)(C)C COC[*:1] CC(C)(C)CC(=O)N(Cc1ccoc1)C[*:1]
COCCN(Cc1ccoc1)C(=O)CC(C)(C)C c1cc(co1)[*:1] COCCN(C[*:1])C(=O)CC(C)(C)C
COCCN(Cc1ccoc1)C(=O)CC(C)(C)C COCC[*:1] CC(C)(C)CC(=O)N(Cc1ccoc1)[*:1]
N#CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1 N#CCO[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1Cc2ccccc2S1
N#CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1 N#CC[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@H]1Cc2ccccc2S1
CCOc1ccc(-c2noc(CS(=O)(=O)c3ccc(Br)cc3)n2)cc1 Brc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1noc(CS(=O)(=O)[*:1])n1
CCOc1ccc(-c2noc(CS(=O)(=O)c3ccc(Br)cc3)n2)cc1 CCO[*:1] O=S(=O)(Cc1nc(no1)-c1ccc(cc1)[*:1])c1ccc(Br)cc1
CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 CC(C)(C)[*:1] O=C(OCC(=O)[*:1])c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12
CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 CC(C)(C)C(=O)[*:1] O=C(OC[*:1])c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12
CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 CC(C)(C)C(=O)C[*:1] O=C(O[*:1])c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12
CC(C)[C@@H](NCC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NCC(=O)NC[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)[C@@H](NCC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)[C@@H](NCC(=O)NC[*:1])c1ccccc1
CC(C)[C@@H](NCC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1 CC(C)[*:1] O=C(CN[C@@H](c1ccccc1)[*:1])NC[C@@H]1CCS(=O)(=O)C1
C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)Cc1ccccc1[*:1])c1cccc(c1)N1CCCC1
C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(c1)[*:1]
NC(=O)[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(F)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)C[NH2+][C@@H](c1ccc(F)cc1)[*:1])c1ccncc1
NC(=O)[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(F)cc1 O=C(N[*:1])c1ccncc1 NC(=O)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc(F)cc1
NC(=O)[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(F)cc1 c1cc(ccn1)[*:1] NC(=O)[C@@H]([NH2+]Cc1ccc(cc1)NC(=O)[*:1])c1ccc(F)cc1
NC(=O)[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@@H]([NH2+]Cc1ccc(cc1)NC(=O)c1ccncc1)[*:1]
Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1n[nH]c(=O)c2ccccc12 CC(C)(C)[*:1] Cc1cc(cc(C)c1CCNC(=O)c1n[nH]c(=O)c2ccccc12)[*:1]
Cc1nc2n(n1)[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC(=O)N2 O=[N+]([O-])[*:1] Cc1nc2NC(=O)C[C@@H](C(=O)Nc3ccc(C)c(c3)[*:1])n2n1
Cc1c(C(=O)Nc2ccc(Br)cc2)sc2nc3n(c(=O)c12)CCCCC3 Brc1ccc(cc1)[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)N[*:1]
O=C(NCCOCC(F)(F)F)N(C1CC1)[C@H]1CCCc2ccccc21 FC(F)(F)[*:1] O=C(NCCOC[*:1])N(C1CC1)[C@H]1CCCc2ccccc21
O=C(NCCOCC(F)(F)F)N(C1CC1)[C@H]1CCCc2ccccc21 FC(F)(F)C[*:1] O=C(NCCO[*:1])N(C1CC1)[C@H]1CCCc2ccccc21
O=C(NCCOCC(F)(F)F)N(C1CC1)[C@H]1CCCc2ccccc21 FC(F)(F)COCC[*:1] O=C(N[*:1])N(C1CC1)[C@H]1CCCc2ccccc21
O=C(NCCOCC(F)(F)F)N(C1CC1)[C@H]1CCCc2ccccc21 FC(F)(F)CO[*:1] O=C(NCC[*:1])N(C1CC1)[C@H]1CCCc2ccccc21
O=C(NCCOCC(F)(F)F)N(C1CC1)[C@H]1CCCc2ccccc21 FC(F)(F)COC[*:1] O=C(NC[*:1])N(C1CC1)[C@H]1CCCc2ccccc21
O=C(NCCOCC(F)(F)F)N(C1CC1)[C@H]1CCCc2ccccc21 C1CC1[*:1] O=C(NCCOCC(F)(F)F)N([C@H]1CCCc2ccccc21)[*:1]
COc1cc(Cl)ccc1C(=O)NNC(=O)CC(C)(C)C CC(C)(C)[*:1] COc1cc(Cl)ccc1C(=O)NNC(=O)C[*:1]
COc1cc(Cl)ccc1C(=O)NNC(=O)CC(C)(C)C CC(C)(C)C[*:1] COc1cc(Cl)ccc1C(=O)NNC(=O)[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)N1CC[NH+](CC2CC2)CC1 CC(C)[*:1] C[C@@H](CC(=O)N[*:1])NC(=O)N1CC[NH+](CC1)CC1CC1
CC(C)NC(=O)C[C@H](C)NC(=O)N1CC[NH+](CC2CC2)CC1 CC(C)NC(=O)[*:1] C[C@@H](C[*:1])NC(=O)N1CC[NH+](CC1)CC1CC1
CC(C)NC(=O)C[C@H](C)NC(=O)N1CC[NH+](CC2CC2)CC1 CC(C)NC(=O)C[*:1] C[C@H](NC(=O)N1CC[NH+](CC1)CC1CC1)[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] CC(C)NC(=O)C[C@H](C)NC(=O)N1CC[NH+](CC1)C[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] CC(C)NC(=O)C[C@H](C)NC(=O)N1CC[NH+](CC1)[*:1]
CO[C@H](C)C(=O)N(C)[C@H](C)c1ccc(C)cc1 CO[C@H](C)[*:1] Cc1ccc(cc1)[C@@H](C)N(C)C(=O)[*:1]
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN(c2cc[nH+]cc2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1F)[*:1])N1CCN(CC1)c1cc[nH+]cc1
CNS(=O)(=O)c1ccc(N(C)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 CNS(=O)(=O)[*:1] CN(Cc1ccc(Br)cc1)c1ccc(cc1[N+](=O)[O-])[*:1]
CNS(=O)(=O)c1ccc(N(C)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNS(=O)(=O)c1ccc(c(c1)[*:1])N(C)Cc1ccc(Br)cc1
CNS(=O)(=O)c1ccc(N(C)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 Brc1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C[*:1]
CNS(=O)(=O)c1ccc(N(C)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 Brc1ccc(cc1)C[*:1] CNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)[*:1]
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] O=C(NNS(=O)(=O)[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(c1)[*:1]
Cc1nc2ccc(N(C)C(=O)c3cccc(F)c3)cc2s1 Fc1cccc(c1)[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)[*:1]
CCC(=O)N1CC[C@](Cc2ccccc2-c2cccc(C)c2)(C(=O)NC(C)C)C1 CC(C)NC(=O)[*:1] CCC(=O)N1CC[C@](Cc2ccccc2-c2cccc(C)c2)(C1)[*:1]
CCC(=O)N1CC[C@](Cc2ccccc2-c2cccc(C)c2)(C(=O)NC(C)C)C1 Cc1cccc(c1)[*:1] CCC(=O)N1CC[C@@](Cc2ccccc2[*:1])(C1)C(=O)NC(C)C
CCC(=O)N1CC[C@](Cc2ccccc2-c2cccc(C)c2)(C(=O)NC(C)C)C1 CC(C)[*:1] CCC(=O)N1CC[C@@](Cc2ccccc2-c2cccc(C)c2)(C1)C(=O)N[*:1]
C[C@@H](CN[C@@H](c1ccccc1)C1CC1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CN[C@@H](C1CC1)[*:1])c1nc(no1)-c1ccccc1
C[C@@H](CN[C@@H](c1ccccc1)C1CC1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CN[C@@H](c1ccccc1)C1CC1)c1nc(no1)[*:1]
C[C@@H](CN[C@@H](c1ccccc1)C1CC1)c1nc(-c2ccccc2)no1 C1CC1[*:1] C[C@@H](CN[C@@H](c1ccccc1)[*:1])c1nc(no1)-c1ccccc1
O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])o1)n1nnnc1N2 O=[N+]([O-])[*:1] O=C1CCCC2Nc3nnnn3[C@H](C=21)c1ccc(o1)[*:1]
CNC(=O)[C@@]1(CCCc2ccncc2)CCCC[NH2+]1 c1cc(ccn1)[*:1] CNC(=O)[C@]1(CCCC[NH2+]1)CCC[*:1]
CNC(=O)[C@@]1(CCCc2ccncc2)CCCC[NH2+]1 CNC(=O)[*:1] c1cc(ccn1)CCC[C@]1(CCCC[NH2+]1)[*:1]
Cc1cc([C@@](C)(O)CNC(=O)NCC(C)C)c(C)o1 CC(C)C[*:1] Cc1cc(c(C)o1)[C@@](C)(O)CNC(=O)N[*:1]
Cc1cc([C@@](C)(O)CNC(=O)NCC(C)C)c(C)o1 CC(C)[*:1] Cc1cc(c(C)o1)[C@@](C)(O)CNC(=O)NC[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2cccs2)c1 COC(=O)[*:1] O=C(/C=C/c1cccs1)Nc1cc(ccc1Cl)[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2cccs2)c1 C(=C[*:1])c1cccs1 COC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2cccs2)c1 c1csc(c1)[*:1] COC(=O)c1ccc(Cl)c(c1)NC(=O)C=C[*:1]
C[C@@H]1COCCN1CC(=O)NNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H]1COCCN1CC(=O)NNC(=O)[*:1]
O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc(F)cc(F)c1 c1ncn(n1)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])c1cc(F)cc(F)c1
C[C@@H]1CCCC[C@H]1OC[C@H](O)C[NH2+]CC1(C)COC1 CC1(COC1)C[*:1] C[C@@H]1CCCC[C@H]1OC[C@H](O)C[NH2+][*:1]
C[C@@H]1CCCC[C@H]1OC[C@H](O)C[NH2+]CC1(C)COC1 CC1(COC1)[*:1] C[C@@H]1CCCC[C@H]1OC[C@H](O)C[NH2+]C[*:1]
CCNC(=O)NC1(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CCCC1 CCNC(=O)N[*:1] C[C@@H](CNC(=O)C1(CCCC1)[*:1])C[NH+]1CCCCC1
O=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)[*:1])c1ccc(Cl)cc1
O=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)c1ccc(Cl)cc1)[*:1]
Cc1cc(F)ccc1Nc1cc(N)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] Cc1cc(F)ccc1Nc1cc(N)cc(c1C)[*:1]
CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N1CCOC(C)(C)C1 Clc1ccc(cc1)[*:1] CO[C@@H]([C@H](C)NC(=O)N1CCOC(C)(C)C1)[*:1]
Cc1cnc(Cl)nc1N1CCCC[C@H]1C(N)=O NC(=O)[*:1] Cc1cnc(Cl)nc1N1CCCC[C@@H]1[*:1]
COc1ccccc1[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)[*:1]
COc1ccccc1[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)c1ccccn1 COc1ccccc1[*:1] O=S(=O)(C[C@@H]1CCOC1)N[C@@H](c1ccccn1)[*:1]
CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2nc(N3CCCCC3)ncc2Cl)C1 CC(C)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)c1nc(ncc1Cl)N1CCCCC1
CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2nc(N3CCCCC3)ncc2Cl)C1 CC(C)CNC(=O)[*:1] O=C(c1nc(ncc1Cl)N1CCCCC1)N1CCC[C@H](C1)[*:1]
CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2nc(N3CCCCC3)ncc2Cl)C1 C1CCN(CC1)[*:1] CC(C)CNC(=O)[C@@H]1CCCN(C1)C(=O)c1nc(ncc1Cl)[*:1]
CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2nc(N3CCCCC3)ncc2Cl)C1 CC(C)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1nc(ncc1Cl)N1CCCCC1
CCC[C@@H]1C[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 CCC[*:1] O=C(N[C@@H]1C[C@H]1[*:1])c1n[nH]c2ccc(cc12)[N+](=O)[O-]
CCC[C@@H]1C[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] CCC[C@@H]1C[C@H]1NC(=O)c1n[nH]c2ccc(cc12)[*:1]
CC1(C)CO[C@@H]2CC[C@H](C(C)(C)C)C[C@@H]2[NH2+]1 CC(C)(C)[*:1] CC1(C)CO[C@@H]2CC[C@H](C[C@@H]2[NH2+]1)[*:1]
Cc1cc(C(=O)NNC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)[nH]n1 Clc1cccc(c1)[*:1] Cc1cc([nH]n1)C(=O)NNC(=O)[C@H](O[*:1])C(C)C
Cc1cc(C(=O)NNC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)[nH]n1 Clc1cccc(c1)O[*:1] Cc1cc([nH]n1)C(=O)NNC(=O)[C@H](C(C)C)[*:1]
Cc1cc(C(=O)NNC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)[nH]n1 Cc1cc([nH]n1)[*:1] CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[*:1]
Cc1cc(C(=O)NNC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)[nH]n1 CC(C)[*:1] Cc1cc([nH]n1)C(=O)NNC(=O)[C@H](Oc1cccc(Cl)c1)[*:1]
Cc1c(Cl)cccc1NCCNc1ccccc1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NCCN[*:1]
Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](CCCO)c1ccccc1)CCC2 c1ccc(cc1)[*:1] Cc1nc2CCC[C@@H](c2s1)N(C)C(=O)N[C@H](CCCO)[*:1]
Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](CCCO)c1ccccc1)CCC2 OCCC[*:1] Cc1nc2CCC[C@@H](c2s1)N(C)C(=O)N[C@H](c1ccccc1)[*:1]
Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](CCCO)c1ccccc1)CCC2 OCC[*:1] Cc1nc2CCC[C@@H](c2s1)N(C)C(=O)N[C@H](C[*:1])c1ccccc1
c1ccc2[nH]c(CCNc3ccc(-c4nc(C5CC5)no4)cn3)nc2c1 C1CC1[*:1] c1ccc2[nH]c(CCNc3ccc(cn3)-c3nc(no3)[*:1])nc2c1
c1ccc2[nH]c(CCNc3ccc(-c4nc(C5CC5)no4)cn3)nc2c1 C1CC1c1noc(n1)[*:1] c1ccc2[nH]c(CCNc3ccc(cn3)[*:1])nc2c1
CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@H]1CCc2cc(Cl)ccc21
CC(C)[NH+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C1CCCC1 CC(C)[*:1] O=C(Nc1ccc(F)cc1)c1nnc(C[NH+](C2CCCC2)[*:1])s1
CC(C)[NH+](Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C1CCCC1 Fc1ccc(cc1)[*:1] CC(C)[NH+](Cc1nnc(s1)C(=O)N[*:1])C1CCCC1
CC/C=C(/C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 FC(F)(F)[*:1] CC/C=C(/C)C(=O)Nc1cc(ccc1N1CCOCC1)[*:1]
CC/C=C(/C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 CCC=C(C)[*:1] O=C(Nc1cc(ccc1N1CCOCC1)C(F)(F)F)[*:1]
CC/C=C(/C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 C1CN(CCO1)[*:1] CC/C=C(/C)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CC/C=C(/C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 CC/C=C(/C)C(=O)N[*:1] FC(F)(F)c1ccc(c(c1)[*:1])N1CCOCC1
CCOC(=O)CSc1nc(C)cc(Oc2ccccc2)n1 c1ccc(cc1)[*:1] CCOC(=O)CSc1nc(C)cc(n1)O[*:1]
CCOC(=O)CSc1nc(C)cc(Oc2ccccc2)n1 CCOC(=O)CS[*:1] Cc1cc(nc(n1)[*:1])Oc1ccccc1
CCOC(=O)CSc1nc(C)cc(Oc2ccccc2)n1 CCOC(=O)C[*:1] Cc1cc(nc(n1)S[*:1])Oc1ccccc1
CCOC(=O)CSc1nc(C)cc(Oc2ccccc2)n1 c1ccc(cc1)O[*:1] CCOC(=O)CSc1nc(C)cc(n1)[*:1]
CCOC(=O)CSc1nc(C)cc(Oc2ccccc2)n1 CCOC(=O)[*:1] Cc1cc(nc(n1)SC[*:1])Oc1ccccc1
Cc1ccsc1CNC(=O)NC1(C(=O)[O-])CCCC1 Cc1ccsc1[*:1] O=C(NC[*:1])NC1(CCCC1)C(=O)[O-]
Cc1ccsc1CNC(=O)NC1(C(=O)[O-])CCCC1 O=C([O-])[*:1] Cc1ccsc1CNC(=O)NC1(CCCC1)[*:1]
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(C(N)=O)cc1 c1ccc(cc1)C[*:1] C[C@H]1CN(CCN1C(=O)c1ccc(cc1)C(N)=O)[*:1]
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@H]1CN(CCN1C(=O)c1ccc(cc1)[*:1])Cc1ccccc1
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(C(N)=O)cc1 c1ccc(cc1)[*:1] C[C@H]1CN(CCN1C(=O)c1ccc(cc1)C(N)=O)C[*:1]
Cn1cnnc1-c1ccc(NC(=O)/C=C/c2cccc(C#N)c2)cc1 Cn1cnnc1[*:1] N#Cc1cccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])c1
Cn1cnnc1-c1ccc(NC(=O)/C=C/c2cccc(C#N)c2)cc1 N#Cc1cccc(c1)[*:1] Cn1cnnc1-c1ccc(cc1)NC(=O)C=C[*:1]
CCNC(=O)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 CCNC(=O)[*:1] O=[N+]([O-])c1ccc(s1)N1CCC(CC1)[*:1]
CCNC(=O)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 O=[N+]([O-])[*:1] CCNC(=O)C1CCN(CC1)c1ccc(s1)[*:1]
COCCn1cc(NC(=O)N[C@@H]2CCC[C@H]2SC)cn1 COC[*:1] CS[C@@H]1CCC[C@H]1NC(=O)Nc1cnn(c1)C[*:1]
COCCn1cc(NC(=O)N[C@@H]2CCC[C@H]2SC)cn1 COCC[*:1] CS[C@@H]1CCC[C@H]1NC(=O)Nc1cnn(c1)[*:1]
C[C@H](NC(=O)NCCSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)NCCSc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NCCSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 Clc1ccc(cc1)S[*:1] C[C@H](NC(=O)NCC[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](NC(=O)NCCSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)NCCS[*:1])c1ccc(cc1)S(C)(=O)=O
CCOc1ncccc1C(=O)NC1CCN(S(C)(=O)=O)CC1 CCO[*:1] CS(=O)(=O)N1CCC(CC1)NC(=O)c1cccnc1[*:1]
CC(C)(C)[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 CC(C)(C)[C@@H](O)[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
CC(C)(C)[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 CC(C)(C)[C@@H](O)CC[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
CC(C)(C)[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 CC(C)(C)[C@@H](O)C[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
CC(C)(C)[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(C)(C)[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)(C)[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 CC(C)(C)[*:1] O=C(NCC[C@H](O)[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccncc1 c1cc(ccn1)[*:1] N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1[*:1]
CCCCn1c(SCc2nc(-c3ccco3)no2)nc2sc(C)c(C)c2c1=O c1coc(c1)[*:1] CCCCn1c(nc2sc(C)c(C)c2c1=O)SCc1nc(no1)[*:1]
CCCCn1c(SCc2nc(-c3ccco3)no2)nc2sc(C)c(C)c2c1=O CCC[*:1] Cc1sc2nc(SCc3nc(no3)-c3ccco3)n(C[*:1])c(=O)c2c1C
CCCCn1c(SCc2nc(-c3ccco3)no2)nc2sc(C)c(C)c2c1=O CCCC[*:1] Cc1sc2nc(SCc3nc(no3)-c3ccco3)n(c(=O)c2c1C)[*:1]
CCCc1nc(Cn2ccc([C@H](C)[NH3+])c2)cs1 CCC[*:1] C[C@H]([NH3+])c1ccn(c1)Cc1csc(n1)[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)[C@H](O)[*:1]
COc1cccc(S(=O)(=O)N2CCN(CCn3cc[nH+]c3C)CC2)c1 COc1cccc(c1)[*:1] Cc1[nH+]ccn1CCN1CCN(CC1)S(=O)(=O)[*:1]
CN(C)c1ncnc(Nc2nccs2)c1N CN(C)[*:1] Nc1c(ncnc1[*:1])Nc1nccs1
CN(C)c1ncnc(Nc2nccs2)c1N c1csc(n1)[*:1] CN(C)c1ncnc(N[*:1])c1N
C[C@@H](CC#N)N(C)c1c(F)c(F)nc(F)c1F N#CC[*:1] C[C@@H](N(C)c1c(F)c(F)nc(F)c1F)[*:1]
C[C@@H](CC#N)N(C)c1c(F)c(F)nc(F)c1F C[C@@H](CC#N)[*:1] CN(c1c(F)c(F)nc(F)c1F)[*:1]
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(cc1)OC[*:1])[C@H](O)c1ccccc1
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)cc2)cc1 Cc1ccc(cc1)CO[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])[C@H](O)c1ccccc1
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)cc2)cc1 Cc1ccc(cc1)C[*:1] O=C(N/N=C/c1ccc(cc1)O[*:1])[C@H](O)c1ccccc1
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)COc1ccc(/C=N/NC(=O)[C@H](O)[*:1])cc1
Cc1ccn2c(CN3CCO[C@@H](c4nc(C(C)(C)C)cs4)C3)cnc2c1 CC(C)(C)[*:1] Cc1ccn2c(cnc2c1)CN1CCO[C@H](C1)c1nc(cs1)[*:1]
COc1ncc(N)cc1C(N)=O NC(=O)[*:1] COc1ncc(N)cc1[*:1]
CCOc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])S(=O)(=O)N1CCN(C)C[C@@H]1c1ccccc1
CCOc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])S(=O)(=O)N1CCN(C)C[C@@H]1c1ccccc1
CCOc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1OCC c1ccc(cc1)[*:1] CCOc1ccc(cc1OCC)S(=O)(=O)N1CCN(C)C[C@H]1[*:1]
C[S@@](=O)c1ccc(C(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)cc1 C[S@@](=O)[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)c1ccc(cc1)[*:1]
O=C(CCN1C(=O)CCC1=O)NCCc1nnc2n1CCC2 O=C1CCC(=O)N1[*:1] O=C(CC[*:1])NCCc1nnc2CCCn21
CC(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)CC1CCC1 C1CC(C1)C[*:1] CC(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)[*:1]
CC(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)CC1CCC1 C1CC(C1)[*:1] CC(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)C[*:1]
CC(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)CC1CCC1 CC(C)[*:1] O=S(=O)(CC1CCC1)NC[C@H]1CCCO[C@@H]1[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)c1cccs1 c1csc(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)c1cccs1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=C/C(=O)OCC(=O)c1cccs1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)c1cccs1 O=C(C[*:1])c1cccs1 Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)O[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)c1cccs1 O=C(c1cccs1)[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OC[*:1]
C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 Fc1ccc(cc1)[*:1] C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 Fc1ccc(cc1)C[*:1] C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 C[C@H](O)[*:1] O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)[C@]1(N[C@H]2[*:1])C(=O)Nc2c(Cl)cccc21
COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)CC(=O)[O-])C1 O=C([O-])C[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)N[C@H](C)[*:1]
COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)CC(=O)[O-])C1 O=C([O-])[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)N[C@H](C)C[*:1]
COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)CC(=O)[O-])C1 COC(=O)[*:1] C[C@H](CC(=O)[O-])NC(=O)N1CC[C@H](C1)[*:1]
CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(Cl)c(Cl)c2)C1=O Clc1ccc(cc1Cl)[*:1] CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\N[*:1])C1=O
CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(Cl)c(Cl)c2)C1=O CC[C@H](C)[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C/Nc1ccc(Cl)c(Cl)c1)[*:1]
COc1ccc([C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H](N1CCOCC1)[*:1]
COc1ccc([C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)[*:1]
COc1ccc([C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)N2CCOCC2)cc1 N#Cc1ccccc1[*:1] COc1ccc(cc1)[C@H](CNC(=O)c1ccccc1[*:1])N1CCOCC1
O=C(C1CCC1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(C1CCC1)N1CCC[C@@H](C1)NS(=O)(=O)[*:1]
O=C(C1CCC1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 C1CC(C1)[*:1] O=C(N1CCC[C@@H](C1)NS(=O)(=O)c1cccc(F)c1)[*:1]
CCOc1ccc2nc(NC(=O)CN(C)C(=O)c3ccco3)sc2c1 c1coc(c1)[*:1] CCOc1ccc2nc(NC(=O)CN(C)C(=O)[*:1])sc2c1
CCOc1ccc2nc(NC(=O)CN(C)C(=O)c3ccco3)sc2c1 CCO[*:1] CN(CC(=O)Nc1nc2ccc(cc2s1)[*:1])C(=O)c1ccco1
CC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 Clc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC1CC[NH+](CC1)C[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 CC(=O)N[*:1] O=S(=O)(NCC1CC[NH+](CC1)Cc1ccccc1Cl)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 Clc1ccccc1C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC1CC[NH+](CC1)[*:1]
Cc1cccc(N2CC[NH+](CC[C@@H](C)NC(=O)NC[C@@H]3CCCO3)CC2)c1 Cc1cccc(c1)[*:1] C[C@H](CC[NH+]1CCN(CC1)[*:1])NC(=O)NC[C@@H]1CCCO1
Cc1cccc(N2CC[NH+](CC[C@@H](C)NC(=O)NC[C@@H]3CCCO3)CC2)c1 C1CO[C@@H](C1)C[*:1] Cc1cccc(c1)N1CC[NH+](CC[C@@H](C)NC(=O)N[*:1])CC1
Cc1cccc(N2CC[NH+](CC[C@@H](C)NC(=O)NC[C@@H]3CCCO3)CC2)c1 C1CO[C@@H](C1)[*:1] Cc1cccc(c1)N1CC[NH+](CC[C@@H](C)NC(=O)NC[*:1])CC1
CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ClC1(Cl)C[C@H]1[*:1] CC(C)(Oc1ccc(cc1)[*:1])C(=O)N[C@H]1CCS(=O)(=O)C1
CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CC(C)(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)C(=O)N[*:1]
Cn1c(=O)n(CCC(=O)Nc2cccnc2-n2cccn2)c2ccccc21 c1cnn(c1)[*:1] Cn1c(=O)n(CCC(=O)Nc2cccnc2[*:1])c2ccccc21
COc1ccccc1CNC(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C COc1ccccc1C[*:1] Cc1nc2sc(C(=O)OCC(=O)N[*:1])c(C)c2c(=O)[nH]1
COc1ccccc1CNC(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C COc1ccccc1[*:1] Cc1nc2sc(C(=O)OCC(=O)NC[*:1])c(C)c2c(=O)[nH]1
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2I)cc1C Ic1ccccc1[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)NNC(=O)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2I)cc1C Cc1ccc(cc1C)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1ccccc1I
COc1cccc([C@H](NC(=O)Nc2cc(C)cc(C)c2)c2nccn2C)c1 Cc1cc(C)cc(c1)[*:1] COc1cccc(c1)[C@H](NC(=O)N[*:1])c1nccn1C
COc1cccc([C@H](NC(=O)Nc2cc(C)cc(C)c2)c2nccn2C)c1 COc1cccc(c1)[*:1] Cc1cc(C)cc(c1)NC(=O)N[C@H](c1nccn1C)[*:1]
COc1cccc([C@H](NC(=O)Nc2cc(C)cc(C)c2)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@H](NC(=O)Nc1cc(C)cc(C)c1)[*:1]
COC(=O)c1cccc2[nH]cc(C#N)c12 COC(=O)[*:1] N#Cc1c[nH]c2cccc(c12)[*:1]
Cc1csc([C@H](Nc2ncnc3c2oc2ccccc23)C2CC2)n1 Cc1csc(n1)[*:1] c1ccc2c(c1)oc1c(ncnc12)N[C@H](C1CC1)[*:1]
Cc1csc([C@H](Nc2ncnc3c2oc2ccccc23)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](Nc1ncnc2c1oc1ccccc12)[*:1]
CC(C)CCCNC(=O)CC[C@@H](C)O C[C@@H](O)C[*:1] CC(C)CCCNC(=O)C[*:1]
CC(C)CCCNC(=O)CC[C@@H](C)O CC(C)C[*:1] C[C@@H](O)CCC(=O)NCC[*:1]
CC(C)CCCNC(=O)CC[C@@H](C)O C[C@@H](O)[*:1] CC(C)CCCNC(=O)CC[*:1]
CC(C)CCCNC(=O)CC[C@@H](C)O CC(C)[*:1] C[C@@H](O)CCC(=O)NCCC[*:1]
Cc1cccc(NC(=O)[C@@H](C)S(=O)(=O)CCO)c1 OCC[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)S(=O)(=O)[*:1]
Cc1cccc(NC(=O)[C@@H](C)S(=O)(=O)CCO)c1 O=S(=O)(CCO)[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)[*:1]
Cc1n[nH]c(-c2ccc(NC(=O)C(=O)N[C@H]3C[C@@H]3C3CCCCC3)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N[C@H]1C[C@@H]1C1CCCCC1
Cc1n[nH]c(-c2ccc(NC(=O)C(=O)N[C@H]3C[C@@H]3C3CCCCC3)cc2)n1 C1CCC(CC1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NC(=O)C(=O)N[C@H]1C[C@H]1[*:1]
COc1ccc([C@@H](CNCc2c(C)nn(C)c2C)N2CCCCC2)cc1 C1CCN(CC1)[*:1] COc1ccc(cc1)[C@@H](CNCc1c(C)nn(C)c1C)[*:1]
COc1ccc([C@@H](CNCc2c(C)nn(C)c2C)N2CCCCC2)cc1 Cc1nn(C)c(C)c1[*:1] COc1ccc(cc1)[C@@H](CNC[*:1])N1CCCCC1
COc1ccc([C@@H](CNCc2c(C)nn(C)c2C)N2CCCCC2)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CNC[C@@H](N1CCCCC1)[*:1]
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OC[*:1]
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)[*:1]
Cc1nccn1-c1cncc(NCCC2=CCCCC2)n1 Cc1nccn1[*:1] C1CCCCC=1CCNc1cncc(n1)[*:1]
Cc1cc(C)c(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)c(C)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(Cn2cnc(c2)-c2ccc(cc2)[*:1])c(C)c1
Cc1nc(CSCC(=O)Nc2ccccc2)sc1C c1ccc(cc1)[*:1] Cc1nc(CSCC(=O)N[*:1])sc1C
COc1ccc(-c2noc(CS[C@@H](C)[C@@H](C)O)n2)c(OC)c1 C[C@@H](O)[*:1] COc1ccc(-c2noc(CS[C@@H](C)[*:1])n2)c(c1)OC
CO[C@H](C)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 CO[C@H](C)[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)OCc1ccccn1
CO[C@H](C)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(C[*:1])nc1 CO[C@H](C)C(=O)N[C@@H](C)c1cccc(c1)O[*:1]
CO[C@H](C)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(nc1)[*:1] CO[C@H](C)C(=O)N[C@@H](C)c1cccc(c1)OC[*:1]
CO[C@H](C)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 CO[C@H](C)C(=O)N[*:1] C[C@@H](c1cccc(c1)OCc1ccccn1)[*:1]
CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C(=O)C=C[C@H]2N1Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C(=O)C=C[C@H]2N1C[*:1]
CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(C(N)=O)nc1 NC(=O)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)c1ccc(nc1)[*:1]
CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(C(N)=O)nc1 NC(=O)c1ccc(cn1)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)[*:1]
CC(=O)NCc1ccc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)s1 CC(=O)N[*:1] CC(C)[C@@H]1CN(C(=O)c2ccc(C[*:1])s2)c2ccccc2N1
CC(=O)NCc1ccc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)s1 CC(=O)NC[*:1] CC(C)[C@@H]1CN(C(=O)c2ccc(s2)[*:1])c2ccccc2N1
CC(=O)NCc1ccc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)s1 CC(C)[*:1] CC(=O)NCc1ccc(s1)C(=O)N1C[C@@H](Nc2ccccc21)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)SCc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1NC(=O)[C@H](C)S[*:1])S(=O)(=O)N(C)C
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)SCc1ccccc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)SCc1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)SCc1ccccc1 c1ccc(cc1)CS[*:1] Cc1ccc(cc1NC(=O)[C@H](C)[*:1])S(=O)(=O)N(C)C
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)SCc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)SC[*:1])S(=O)(=O)N(C)C
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1 CC(C)[*:1] CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N(C)C[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1 CC(C)C(=O)N[*:1] CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N(C)[*:1]
CN(CCc1ccccn1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] CN(CCc1ccccn1)C(=O)c1cc(ccc1Cl)[*:1]
CN(CCc1ccccn1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)c1cc(ccc1Cl)S(C)(=O)=O
CN(CCc1ccccn1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)c1cc(ccc1Cl)S(C)(=O)=O
Nn1c(N/N=C/c2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccn1 c1ccc(nc1)[*:1] Nn1c(nnc1SCC(=O)N[*:1])N/N=C/c1cccc(Cl)c1
Nn1c(N/N=C/c2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccn1 Clc1cccc(c1)[*:1] Nn1c(nnc1SCC(=O)Nc1ccccn1)NN=C[*:1]
Nn1c(N/N=C/c2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccn1 O=C(Nc1ccccn1)[*:1] Nn1c(nnc1SC[*:1])N/N=C/c1cccc(Cl)c1
O[C@@H](c1ccc(C2CC2)cc1)c1cc(Br)ccc1F C1CC1[*:1] O[C@@H](c1ccc(cc1)[*:1])c1cc(Br)ccc1F
Fc1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1 Fc1ccc(cc1)[*:1] c1ccc2c(c1)CCCN2c1ncnc2c1cnn2[*:1]
O=C1C[C@H]2Sc3ccccc3N=C2NN1CCO OCC[*:1] O=C1C[C@H]2Sc3ccccc3N=C2NN1[*:1]
Cc1cccc(-c2nc(Cn3nnc(-c4nc(-c5cccc(F)c5)no4)c3C)c(C)o2)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1)-c1nc(Cn2nnc(-c3nc(no3)[*:1])c2C)c(C)o1
Cc1cccc(-c2nc(Cn3nnc(-c4nc(-c5cccc(F)c5)no4)c3C)c(C)o2)c1 Cc1cccc(c1)[*:1] Cc1oc(nc1Cn1nnc(-c2nc(no2)-c2cccc(F)c2)c1C)[*:1]
CC(C)=CCC[C@H](C)CC(=O)[O-] CC(C)=C[*:1] C[C@@H](CC[*:1])CC(=O)[O-]
CC(C)=CCC[C@H](C)CC(=O)[O-] O=C([O-])C[*:1] CC(C)=CCC[C@H](C)[*:1]
CC(C)=CCC[C@H](C)CC(=O)[O-] O=C([O-])[*:1] CC(C)=CCC[C@H](C)C[*:1]
O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCO[C@@H](c2cccc(O)c2)C1 Oc1cccc(c1)[*:1] O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCO[C@@H](C1)[*:1]
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(C)(C)C#N)c1 CC(C)(C#N)C(=O)N[*:1] CN1CCCCC/C1=N\S(=O)(=O)c1cccc(c1)[*:1]
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(C)(C)C#N)c1 CC(C)(C#N)[*:1] CN1CCCCC/C1=N\S(=O)(=O)c1cccc(c1)NC(=O)[*:1]
COc1cc(C)ccc1NC(=O)c1ccccc1N1CCCC1=O O=C1CCCN1[*:1] COc1cc(C)ccc1NC(=O)c1ccccc1[*:1]
CCC[NH2+]Cc1ccc(OCc2ccnc(C#N)c2)cn1 CCC[*:1] N#Cc1cc(ccn1)COc1ccc(C[NH2+][*:1])nc1
COc1ccnc(N[C@H](C)[C@@H](C)n2cccn2)n1 c1cnn(c1)[*:1] COc1ccnc(n1)N[C@H](C)[C@@H](C)[*:1]
CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](c2nccs2)C2CC2)c1 c1csc(n1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)C(=O)N[C@H](C1CC1)[*:1]
CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](c2nccs2)C2CC2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N[C@H](c1nccs1)C1CC1
CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](c2nccs2)C2CC2)c1 C1CC1[*:1] CC(=O)Nc1cccc(c1)NC(=O)C(=O)N[C@H](c1nccs1)[*:1]
Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)C(=O)[O-])o1 O=C([O-])[*:1] Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)[*:1])o1
C[C@@H]1c2ccccc2O[C@H]1C(=O)OCc1nncn1C1CC1 C1CC1[*:1] C[C@@H]1c2ccccc2O[C@H]1C(=O)OCc1nncn1[*:1]
O=C1COc2cccnc2N1Cc1nc(-c2ccco2)no1 c1coc(c1)[*:1] O=C1COc2cccnc2N1Cc1nc(no1)[*:1]
C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)cc3cccnc23)ccc1F C=CC[*:1] Cc1cc(NC(=O)c2ccc(F)c(c2)S(=O)(=O)N[*:1])c2ncccc2c1
C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)cc3cccnc23)ccc1F C=CCNS(=O)(=O)[*:1] Cc1cc(NC(=O)c2ccc(F)c(c2)[*:1])c2ncccc2c1
CC(C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(F)cc1 C1CC1[*:1] CC(C)[C@@H](NC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1ccc(F)cc1
CC(C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(F)cc1 CC(C)[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])[C@H]1CCCN(C1)C(=O)C1CC1
CC(C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[C@H]1CCCN(C1)C(=O)C1CC1)[*:1]
COCCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1c(C)cccc1C)C2=O O=[N+]([O-])[*:1] COCCCNc1c(cc2C(=O)N(C(=O)c3cccc1c32)c1c(C)cccc1C)[*:1]
COCCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1c(C)cccc1C)C2=O COCCC[*:1] Cc1cccc(C)c1N1C(=O)c2cccc3c(N[*:1])c(cc(C1=O)c23)[N+](=O)[O-]
COCCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1c(C)cccc1C)C2=O COCC[*:1] Cc1cccc(C)c1N1C(=O)c2cccc3c(NC[*:1])c(cc(C1=O)c23)[N+](=O)[O-]
COCCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1c(C)cccc1C)C2=O Cc1cccc(C)c1[*:1] COCCCNc1c(cc2C(=O)N(C(=O)c3cccc1c32)[*:1])[N+](=O)[O-]
COCCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1c(C)cccc1C)C2=O COCCCN[*:1] Cc1cccc(C)c1N1C(=O)c2cccc3c(c(cc(C1=O)c23)[N+](=O)[O-])[*:1]
COCCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1c(C)cccc1C)C2=O COC[*:1] Cc1cccc(C)c1N1C(=O)c2cccc3c(NCC[*:1])c(cc(C1=O)c23)[N+](=O)[O-]
Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] Nc1c(ncnc1Nc1ccc(cc1)[*:1])NNC(=O)c1ccc(Br)cc1
Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] Nc1c(ncnc1Nc1ccc(cc1)O[*:1])NNC(=O)c1ccc(Br)cc1
Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(OC(F)(F)F)cc1 Brc1ccc(cc1)[*:1] Nc1c(ncnc1Nc1ccc(cc1)OC(F)(F)F)NNC(=O)[*:1]
CC(C)Oc1nc(Br)cs1 CC(C)[*:1] Brc1csc(n1)O[*:1]
COc1ccc(C#N)cc1CN1CCC[C@@H](c2nncn2C2CC2)C1 C1CC1[*:1] COc1ccc(C#N)cc1CN1CCC[C@H](C1)c1nncn1[*:1]
COc1ccc(C#N)cc1CN1CCC[C@@H](c2nncn2C2CC2)C1 c1nnc(n1C1CC1)[*:1] COc1ccc(C#N)cc1CN1CCC[C@@H](C1)[*:1]
COCc1cccc(CNC(=O)Nc2ccc(Br)nc2C)c1 COC[*:1] Cc1nc(Br)ccc1NC(=O)NCc1cccc(c1)[*:1]
C[C@@H](CC#N)Sc1ccccc1NCc1ccccc1[N+](=O)[O-] N#CC[*:1] C[C@@H](Sc1ccccc1NCc1ccccc1[N+](=O)[O-])[*:1]
C[C@@H](CC#N)Sc1ccccc1NCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](CC#N)Sc1ccccc1NCc1ccccc1[*:1]
COc1ccc(-n2cc(CNC(=O)Cn3c(C)csc3=O)nn2)cc1 Cc1csc(=O)n1C[*:1] COc1ccc(cc1)-n1cc(CNC(=O)[*:1])nn1
COc1ccc(-n2cc(CNC(=O)Cn3c(C)csc3=O)nn2)cc1 COc1ccc(cc1)[*:1] Cc1csc(=O)n1CC(=O)NCc1cn(nn1)[*:1]
COc1ccc(-n2cc(CNC(=O)Cn3c(C)csc3=O)nn2)cc1 Cc1csc(=O)n1[*:1] COc1ccc(cc1)-n1cc(CNC(=O)C[*:1])nn1
CC(C)[NH2+]CCN1CC(=O)N2CCCC[C@@H]2C1=O CC(C)[*:1] O=C1[C@H]2CCCCN2C(=O)CN1CC[NH2+][*:1]
CC(C)c1ccc(COC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 CC(C)[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1ccc(cc1)[*:1])C2=O
CC(C)c1ccc(COC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 CC(C)c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OC[*:1])C2=O
COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccnc2)nc1C COC(=O)c1sc(nc1C)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccnc2)N1[*:1]
COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccnc2)nc1C c1cncc(c1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1[*:1]
COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccnc2)nc1C COC(=O)[*:1] Cc1nc(sc1[*:1])N1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccnc1
NS(=O)(=O)N1CCc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc21 c1ccc(cc1)[*:1] NS(=O)(=O)N1CCc2ccc(cc21)NC(=O)[C@H]1C[C@H]1[*:1]
Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)c(C)c1 CC(C)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1cnc(c(c1)C(=O)N[*:1])N1CC[NH2+]CC1
Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)NC(=O)c1cc(cnc1N1CC[NH2+]CC1)NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)c(C)c1 CC(C)NC(=O)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1cnc(c(c1)[*:1])N1CC[NH2+]CC1
O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1cccc2ccccc12 Clc1cccc(c1)[*:1] O=C(Nc1c2C[S@@](=O)Cc2nn1[*:1])c1cccc2ccccc12
Cc1ccccc1[C@H](Nc1cc(-n2ccnc2)ncn1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](Nc1cc(ncn1)-n1ccnc1)[*:1]
Cc1ccccc1[C@H](Nc1cc(-n2ccnc2)ncn1)C(C)C c1cn(cn1)[*:1] Cc1ccccc1[C@H](Nc1cc(ncn1)[*:1])C(C)C
Cc1ccccc1[C@H](Nc1cc(-n2ccnc2)ncn1)C(C)C CC(C)[*:1] Cc1ccccc1[C@H](Nc1cc(ncn1)-n1ccnc1)[*:1]
CSc1ccc([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 CC1CCN(CC1)[*:1] CSc1ccc(cc1)[C@@H]1c2c(nc([nH]c2=O)[*:1])NC(=O)[C@@H]1C#N
CSc1ccc([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 CSc1ccc(cc1)[*:1] CC1CCN(CC1)c1nc2NC(=O)[C@H](C#N)[C@@H](c2c(=O)[nH]1)[*:1]
NNC(=O)c1cn(CCN2CCN3C(=O)NC[C@H]3C2)nn1 NNC(=O)[*:1] O=C1NC[C@H]2CN(CCN12)CCn1cc(nn1)[*:1]
CSCC[C@H](NC(=O)N[C@H](C)[C@H]1CCCO1)c1nnc2ccccn12 CSCC[*:1] C[C@@H](NC(=O)N[C@H](c1nnc2ccccn12)[*:1])[C@H]1CCCO1
CSCC[C@H](NC(=O)N[C@H](C)[C@H]1CCCO1)c1nnc2ccccn12 C1CO[C@H](C1)[*:1] CSCC[C@H](NC(=O)N[C@H](C)[*:1])c1nnc2ccccn12
CSCC[C@H](NC(=O)N[C@H](C)[C@H]1CCCO1)c1nnc2ccccn12 CSC[*:1] C[C@@H](NC(=O)N[C@@H](C[*:1])c1nnc2ccccn12)[C@H]1CCCO1
O=C(CCn1nnc2ccccc21)N1CCC[C@H]1c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] O=C(CCn1nnc2ccccc21)N1CCC[C@@H]1[*:1]
O=C(CCn1nnc2ccccc21)N1CCC[C@H]1c1nc2ccccc2[nH]1 c1ccc2c(c1)nnn2[*:1] O=C(CC[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)N1C[C@H]2CC=CC[C@@H]2C1 C1CO[C@@H](C1)C[*:1] O=C(Nc1ccc(cc1)O[*:1])C(=O)N1C[C@H]2CC=CC[C@@H]2C1
O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)N1C[C@H]2CC=CC[C@@H]2C1 C1CO[C@@H](C1)CO[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1C[C@H]2CC=CC[C@@H]2C1
O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)N1C[C@H]2CC=CC[C@@H]2C1 C1CO[C@@H](C1)[*:1] O=C(Nc1ccc(cc1)OC[*:1])C(=O)N1C[C@H]2CC=CC[C@@H]2C1
C[C@H]([NH2+]Cc1ccccn1)c1ccc2[nH]c(=O)[nH]c2c1 c1ccc(nc1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CN(C[C@H](O)C1CC1)C(=O)/C=C(/c1ccccc1)C(F)(F)F FC(F)(F)[*:1] CN(C[C@H](O)C1CC1)C(=O)C=C(c1ccccc1)[*:1]
CN(C[C@H](O)C1CC1)C(=O)/C=C(/c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] CN(C[C@H](O)C1CC1)C(=O)/C=C(\C(F)(F)F)[*:1]
CN(C[C@H](O)C1CC1)C(=O)/C=C(/c1ccccc1)C(F)(F)F C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)/C=C(/c1ccccc1)C(F)(F)F
CN(CC1=C(c2ccccc2)NN(Cc2ccccc2Cl)C1)C(=O)c1ccc2[nH]cnc2c1 Clc1ccccc1C[*:1] CN(CC1CN(NC=1c1ccccc1)[*:1])C(=O)c1ccc2[nH]cnc2c1
CN(CC1=C(c2ccccc2)NN(Cc2ccccc2Cl)C1)C(=O)c1ccc2[nH]cnc2c1 Clc1ccccc1[*:1] CN(CC1CN(C[*:1])NC=1c1ccccc1)C(=O)c1ccc2[nH]cnc2c1
CN(CC1=C(c2ccccc2)NN(Cc2ccccc2Cl)C1)C(=O)c1ccc2[nH]cnc2c1 c1ccc(cc1)[*:1] CN(CC1CN(Cc2ccccc2Cl)NC=1[*:1])C(=O)c1ccc2[nH]cnc2c1
CN(CC1=C(c2ccccc2)NN(Cc2ccccc2Cl)C1)C(=O)c1ccc2[nH]cnc2c1 c1nc2cc(ccc2[nH]1)[*:1] CN(CC1CN(Cc2ccccc2Cl)NC=1c1ccccc1)C(=O)[*:1]
CCCCC(=O)N[C@H]1CC[C@@H](C)[NH2+][C@@H]1C CCC[*:1] C[C@@H]1CC[C@H](NC(=O)C[*:1])[C@@H](C)[NH2+]1
CCCCC(=O)N[C@H]1CC[C@@H](C)[NH2+][C@@H]1C CCCC[*:1] C[C@@H]1CC[C@H](NC(=O)[*:1])[C@@H](C)[NH2+]1
COc1cc(C[NH+]2CCN(c3ccccc3C)C(=O)C2)ccc1F Cc1ccccc1[*:1] COc1cc(ccc1F)C[NH+]1CCN(C(=O)C1)[*:1]
CN(Cc1ccccc1)C(=O)N[C@H]1CCc2ccc(F)cc21 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)N[C@H]1CCc2ccc(F)cc21
CN(Cc1ccccc1)C(=O)N[C@H]1CCc2ccc(F)cc21 c1ccc(cc1)C[*:1] CN(C(=O)N[C@H]1CCc2ccc(F)cc21)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1[C@@H](CCN1S(=O)(=O)N(C)[*:1])C(=O)[O-]
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N(C)Cc1ccccc1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1S(=O)(=O)N(C)Cc1ccccc1)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1[C@@H](CCN1S(=O)(=O)N(C)C[*:1])C(=O)[O-]
COc1ccc([C@@H](C)COC(=O)c2cnn(-c3ccncc3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)OC[C@H](C)[*:1]
COc1ccc([C@@H](C)COC(=O)c2cnn(-c3ccncc3)c2C)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)[C@@H](C)COC(=O)c1cnn(c1C)[*:1]
O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@@H]1CCC[C@@H]1O c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCN(C1)[*:1])NC[C@@H]1CCC[C@@H]1O
CC/C=C(\C)C(=O)N(C)Cc1ccc(C)cc1 CCC=C(C)[*:1] Cc1ccc(cc1)CN(C)C(=O)[*:1]
CCC(=O)c1cccc(NC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1 CCC(=O)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Nc1cccc(c1)[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1 N#CCC[*:1] CC[C@H](C)c1ccc(cc1)S(=O)(=O)N(C1CC1)[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1 N#CC[*:1] CC[C@H](C)c1ccc(cc1)S(=O)(=O)N(C[*:1])C1CC1
CC[C@H](C)c1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1 C1CC1[*:1] CC[C@H](C)c1ccc(cc1)S(=O)(=O)N(CCC#N)[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1 CC[C@H](C)[*:1] N#CCCN(C1CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1n[nH]c(SCCC(=O)NNC(=O)c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1n[nH]c(n1)SCCC(=O)NNC(=O)[*:1]
Cc1n[nH]c(SCCC(=O)NNC(=O)c2ccccc2Cl)n1 Cc1n[nH]c(n1)[*:1] O=C(CCS[*:1])NNC(=O)c1ccccc1Cl
O=C(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccccc2)CCC1 FC(F)(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])C1(CCC1)c1ccccc1
O=C(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)C1(CCC1)[*:1]
O=C(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccccc2)CCC1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])C1(CCC1)c1ccccc1
CCN1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3F)CC2)CC1=O Fc1ccccc1[*:1] CCN1C[C@H](CC1=O)C(=O)N1CCN(CC1)C(=O)[*:1]
CCc1nc(C[S@@](=O)CC(=O)Nc2ccc(F)c(Cl)c2)cs1 CCc1nc(cs1)[*:1] O=C(C[S@](=O)C[*:1])Nc1ccc(F)c(Cl)c1
CC(C)n1c([C@H](C)NC(=O)CNC(=O)C(C)(C)C)nc2ccccc21 CC(C)[*:1] C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1nc2ccccc2n1[*:1]
CC(C)n1c([C@H](C)NC(=O)CNC(=O)C(C)(C)C)nc2ccccc21 CC(C)(C)C(=O)NC[*:1] CC(C)n1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
CC(C)n1c([C@H](C)NC(=O)CNC(=O)C(C)(C)C)nc2ccccc21 CC(C)(C)C(=O)N[*:1] CC(C)n1c(nc2ccccc21)[C@H](C)NC(=O)C[*:1]
CC(C)n1c([C@H](C)NC(=O)CNC(=O)C(C)(C)C)nc2ccccc21 CC(C)(C)[*:1] CC(C)n1c(nc2ccccc21)[C@H](C)NC(=O)CNC(=O)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(OCC(N)=O)c2)c1C NC(=O)C[*:1] CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(c2)O[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(OCC(N)=O)c2)c1C NC(=O)CO[*:1] CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(c2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(OCC(N)=O)c2)c1C NC(=O)[*:1] CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(c2)OC[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(OCC(N)=O)c2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)NCc2cccc(c2)OCC(N)=O)c(C)c1[*:1]
CS[C@@H]1CC[C@@H](NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)C1 O=S(=O)(C[*:1])C(F)F CS[C@@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)[*:1]
CS[C@@H]1CC[C@@H](NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)C1 FC(F)[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)CS(=O)(=O)[*:1]
CS[C@@H]1CC[C@@H](NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)C1 O=S(=O)(C(F)F)[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)C[*:1]
CC(C)(C)Oc1ccc(C(=O)NCc2cccc(Cn3cncn3)c2)cc1 CC(C)(C)[*:1] O=C(NCc1cccc(c1)Cn1cncn1)c1ccc(cc1)O[*:1]
CC(C)(C)Oc1ccc(C(=O)NCc2cccc(Cn3cncn3)c2)cc1 c1ncn(C[*:1])n1 CC(C)(C)Oc1ccc(cc1)C(=O)NCc1cccc(c1)[*:1]
CC(C)(C)Oc1ccc(C(=O)NCc2cccc(Cn3cncn3)c2)cc1 CC(C)(C)O[*:1] O=C(NCc1cccc(c1)Cn1cncn1)c1ccc(cc1)[*:1]
CC(C)(C)Oc1ccc(C(=O)NCc2cccc(Cn3cncn3)c2)cc1 c1ncn(n1)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)NCc1cccc(c1)C[*:1]
Cc1noc(C2CC[NH+](Cc3c[nH]nc3C)CC2)n1 Cc1n[nH]cc1[*:1] Cc1noc(n1)C1CC[NH+](CC1)C[*:1]
Cc1noc(C2CC[NH+](Cc3c[nH]nc3C)CC2)n1 Cc1noc(n1)[*:1] Cc1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
CCCc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 Cc1n[nH]c(C)c1[*:1] CCCc1ccc(cc1)C(=O)CCC(=O)N1CCC[C@H]1[*:1]
CCCc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 CCCc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CCC(=O)[*:1]
CCCc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 CCC[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CCC(=O)c1ccc(cc1)[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N2CC[S@](=O)C(C)(C)C2)n1 Cc1nc(C)n(n1)[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)Nc1ccccc1[*:1]
O=C(COc1ccc(F)cc1)Nn1cnc2sc3c(c2c1=O)CCCC3 Fc1ccc(cc1)[*:1] O=C(CO[*:1])Nn1cnc2sc3CCCCc3c2c1=O
O=C(COc1ccc(F)cc1)Nn1cnc2sc3c(c2c1=O)CCCC3 Fc1ccc(cc1)O[*:1] O=C(C[*:1])Nn1cnc2sc3CCCCc3c2c1=O
CC[C@H]1C(=O)NCCN1C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1 CC(=O)[*:1] CC[C@H]1C(=O)NCCN1C(=O)C1C[C@@H](N(N=1)c1ccccc1)[*:1]
CC[C@H]1C(=O)NCCN1C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1 c1ccc(cc1)[*:1] CC[C@H]1C(=O)NCCN1C(=O)C1C[C@@H](C(C)=O)N(N=1)[*:1]
CN1CC(=O)N(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1=O c1coc(c1)[*:1] CN1CC(=O)N(CC(=O)N2CC[NH+](CC2)C[*:1])C1=O
CN1CC(=O)N(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1=O c1coc(c1)C[*:1] CN1CC(=O)N(CC(=O)N2CC[NH+](CC2)[*:1])C1=O
Cc1cc(OC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OC(=O)CN1C(=O)N[C@](C)(C1=O)C1CC1
Cc1cc(OC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)ccc1C(C)C C1CC1[*:1] Cc1cc(ccc1C(C)C)OC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
O=C(NO[C@@H]1CCCCO1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 c1coc(c1)[*:1] O=C(NO[C@@H]1CCCCO1)c1cc(n(n1)-c1cccc(Cl)c1)[*:1]
O=C(NO[C@@H]1CCCCO1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] O=C(NO[C@@H]1CCCCO1)c1cc(-c2ccco2)n(n1)[*:1]
Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@H]2CCCN(c3cnccn3)C2)c1 c1cnc(cn1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NCCNC(=O)[C@H]1CCCN(C1)[*:1]
Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@H]2CCCN(c3cnccn3)C2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCCNS(=O)(=O)[*:1])[C@H]1CCCN(C1)c1cnccn1
CC(C)NC(=O)NCc1ccc(OCC2CC2)nc1 C1CC1[*:1] CC(C)NC(=O)NCc1ccc(nc1)OC[*:1]
CC(C)NC(=O)NCc1ccc(OCC2CC2)nc1 C1CC1CO[*:1] CC(C)NC(=O)NCc1ccc(nc1)[*:1]
CC(C)NC(=O)NCc1ccc(OCC2CC2)nc1 CC(C)[*:1] O=C(NCc1ccc(nc1)OCC1CC1)N[*:1]
CC(C)NC(=O)NCc1ccc(OCC2CC2)nc1 C1CC1C[*:1] CC(C)NC(=O)NCc1ccc(nc1)O[*:1]
CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)C1=CCCC1 c1ccc(cc1)[*:1] CCN(C(=O)CSc1nnc(-c2ccco2)n1[*:1])C1=CCCC1
CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)C1=CCCC1 c1coc(c1)[*:1] CCN(C(=O)CSc1nnc(n1-c1ccccc1)[*:1])C1=CCCC1
CC[NH2+]C/C(C)=C/c1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[NH2+]C/C(C)=C/c1ccc(Br)c(c1)[*:1]
CCn1c(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)c1ccc2CCCc2c1
CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccccc2)c1C c1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)N[*:1])c1C
CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccccc2)c1C c1csc(c1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc(C(=O)Nc2ccccc2)c1C
CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccccc2)c1C CCOC(=O)[*:1] Cc1c(sc(NC(=O)c2cccs2)c1[*:1])C(=O)Nc1ccccc1
CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccccc2)c1C O=C(N[*:1])c1cccs1 CCOC(=O)c1c(sc(C(=O)Nc2ccccc2)c1C)[*:1]
CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccccc2)c1C O=C(Nc1ccccc1)[*:1] CCOC(=O)c1c(NC(=O)c2cccs2)sc(c1C)[*:1]
CC(=O)c1cccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1 CC(=O)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C(CC[*:1])NCc1ccc([nH+]c1)N1CCOCC1
Cc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)C(=O)CCC(=O)NCc1ccc([nH+]c1)[*:1]
Cc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 Cc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])NCc1ccc([nH+]c1)N1CCOCC1
CCCc1cc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)n(C)n1 CCC[*:1] C[C@@H]1CCC[C@@H](C1)OCC(=O)Nc1cc(nn1C)[*:1]
N#Cc1csc(C(=O)NCC(=O)OC2CCCCC2)c1 C1CCC(CC1)[*:1] N#Cc1csc(c1)C(=O)NCC(=O)O[*:1]
O=S(=O)(c1ccccc1)[C@@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=S(=O)(c1ccccc1)[C@@H](c1ccccc1)[*:1]
O=S(=O)(c1ccccc1)[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=S(=O)([C@@H](c1ccccc1)c1ccccn1)[*:1]
O=S(=O)(c1ccccc1)[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)[C@@H](c1ccccn1)[*:1]
O=C(Nc1cnn(CCc2ccccc2)c1)c1ccc(F)cc1F c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)CC[*:1])c1ccc(F)cc1F
O=C(Nc1cnn(CCc2ccccc2)c1)c1ccc(F)cc1F c1ccc(cc1)C[*:1] O=C(Nc1cnn(c1)C[*:1])c1ccc(F)cc1F
O=C(Nc1cnn(CCc2ccccc2)c1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(Nc1cnn(c1)CCc1ccccc1)[*:1]
O=C(Nc1cnn(CCc2ccccc2)c1)c1ccc(F)cc1F c1ccc(cc1)CC[*:1] O=C(Nc1cnn(c1)[*:1])c1ccc(F)cc1F
COc1cccc(F)c1OC(=O)c1cnn(-c2ccncc2)c1C c1cc(ccn1)[*:1] COc1cccc(F)c1OC(=O)c1cnn(c1C)[*:1]
Cc1nc(CC(C)C)sc1C(=O)Nc1[nH]nc(C2CC2)c1C C1CC1[*:1] Cc1nc(CC(C)C)sc1C(=O)Nc1[nH]nc(c1C)[*:1]
Cc1nc(CC(C)C)sc1C(=O)Nc1[nH]nc(C2CC2)c1C CC(C)C[*:1] Cc1nc(sc1C(=O)Nc1[nH]nc(c1C)C1CC1)[*:1]
Cc1nc(CC(C)C)sc1C(=O)Nc1[nH]nc(C2CC2)c1C CC(C)[*:1] Cc1nc(C[*:1])sc1C(=O)Nc1[nH]nc(c1C)C1CC1
CC(C)[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 c1cc2OCOc2cc1[*:1] CC(C)[C@H](NC(=O)C=C[*:1])c1nc2ccccc2[nH]1
CC(C)[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(/C=C/c1ccc2OCOc2c1)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)[C@H](NC(=O)/C=C/c1ccc2OCOc2c1)[*:1]
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CSc1ccc(F)cc1F O=C([O-])[*:1] O=C(CSc1ccc(F)cc1F)N1C[C@H](O)C[C@H]1[*:1]
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1(CC1)[*:1]
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1(c2ccccc2)CC1 c1csc(c1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)NCC1(CC1)c1ccccc1
CNC(=O)c1ccc(CN(C)C(=O)Nc2nc(C(C)C)nn2C)cc1 CNC(=O)[*:1] CC(C)c1nc(NC(=O)N(C)Cc2ccc(cc2)[*:1])n(C)n1
CNC(=O)c1ccc(CN(C)C(=O)Nc2nc(C(C)C)nn2C)cc1 CC(C)[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)Nc1nc(nn1C)[*:1]
C[C@@H]1CC(=O)c2cnc(N3CCCC3)nc2C1 C1CCN(C1)[*:1] C[C@@H]1CC(=O)c2cnc(nc2C1)[*:1]
Cc1ccc(OCCCCN2C(=O)C(=O)c3cc(Cl)ccc32)cc1C Cc1ccc(cc1C)[*:1] O=C1C(=O)N(CCCCO[*:1])c2ccc(Cl)cc21
COC(=O)[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(F)c(NC(C)=O)c1 COC(=O)[*:1] CC(=O)Nc1cc(ccc1F)C(=O)O[C@H]1CCCC[C@H]1[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(F)c(NC(C)=O)c1 CC(=O)N[*:1] COC(=O)[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(F)c(c1)[*:1]
Cc1cscc1-c1noc(CCOC2CC[NH2+]CC2)n1 Cc1cscc1[*:1] C1CC(CC[NH2+]1)OCCc1nc(no1)[*:1]
Cc1ncncc1C(=O)N1CCO[C@@](C)(C(=O)NC2CCCC2)C1 O=C(NC1CCCC1)[*:1] Cc1ncncc1C(=O)N1CCO[C@@](C)(C1)[*:1]
Cc1ncncc1C(=O)N1CCO[C@@](C)(C(=O)NC2CCCC2)C1 Cc1ncncc1[*:1] C[C@@]1(CN(CCO1)C(=O)[*:1])C(=O)NC1CCCC1
Cc1ncncc1C(=O)N1CCO[C@@](C)(C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] Cc1ncncc1C(=O)N1CCO[C@](C)(C1)C(=O)N[*:1]
COc1ccc(C[NH2+]CCC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)C[NH2+]C[*:1]
COc1ccc(C[NH2+]CCC(C)C)cc1 CC(C)CC[*:1] COc1ccc(cc1)C[NH2+][*:1]
COc1ccc(C[NH2+]CCC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C[NH2+]CC[*:1]
C(=N\Nc1nncn1/N=C\c1cccs1)\c1cccs1 c1csc(c1)[*:1] C(=NNc1nncn1/N=C\c1cccs1)[*:1]
C(=N\Nc1nncn1/N=C\c1cccs1)\c1cccs1 c1csc(c1)[*:1] C(=N\Nc1nncn1N=C[*:1])\c1cccs1
C[C@@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)N(C)c1ccccc1 O=C1NC(=O)[C@H](N1)[*:1] C[C@@H](CNC(=O)CC[*:1])N(C)c1ccccc1
C[C@@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)N(C)[*:1]
Cc1ccccc1N1C(=N)S/C(=C\c2cccc(Cl)c2Cl)C1=O Cc1ccccc1[*:1] N=C1S/C(=C\c2cccc(Cl)c2Cl)C(=O)N1[*:1]
COc1ccc([C@H]2NC(=O)[C@@H]3CCCCN32)cc1OCC(C)C CC(C)CO[*:1] COc1ccc(cc1[*:1])[C@H]1NC(=O)[C@@H]2CCCCN21
COc1ccc([C@H]2NC(=O)[C@@H]3CCCCN32)cc1OCC(C)C CC(C)[*:1] COc1ccc(cc1OC[*:1])[C@H]1NC(=O)[C@@H]2CCCCN21
COc1ccc([C@H]2NC(=O)[C@@H]3CCCCN32)cc1OCC(C)C CC(C)C[*:1] COc1ccc(cc1O[*:1])[C@H]1NC(=O)[C@@H]2CCCCN21
CSCc1ccnc(N(C)Cc2[nH]cc(-c3ccccc3)[nH+]2)c1 CSC[*:1] CN(Cc1[nH]cc([nH+]1)-c1ccccc1)c1cc(ccn1)[*:1]
CSCc1ccnc(N(C)Cc2[nH]cc(-c3ccccc3)[nH+]2)c1 c1ccc(cc1)[*:1] CSCc1ccnc(c1)N(C)Cc1[nH]cc([nH+]1)[*:1]
O=C(CNC(=O)C1CCCCC1)N/N=C/c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CNC(=O)C1CCCCC1)NN=C[*:1]
O=C(CNC(=O)C1CCCCC1)N/N=C/c1ccc(Br)cc1 C1CCC(CC1)[*:1] O=C(CNC(=O)[*:1])N/N=C/c1ccc(Br)cc1
CCc1nnc2n1C[C@H](C[NH2+]Cc1cn(-c3ccccc3)nn1)CC2 c1ccc(cc1)[*:1] CCc1nnc2CC[C@@H](C[NH2+]Cc3cn(nn3)[*:1])Cn12
CC[C@@H](C)[C@@H](C(=O)Nc1nnc(C(F)(F)F)s1)c1ccccc1 CC[C@@H](C)[*:1] O=C(Nc1nnc(s1)C(F)(F)F)[C@@H](c1ccccc1)[*:1]
CC[C@@H](C)[C@@H](C(=O)Nc1nnc(C(F)(F)F)s1)c1ccccc1 FC(F)(F)[*:1] CC[C@@H](C)[C@@H](C(=O)Nc1nnc(s1)[*:1])c1ccccc1
CC[C@@H](C)[C@@H](C(=O)Nc1nnc(C(F)(F)F)s1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](C(=O)Nc1nnc(s1)C(F)(F)F)[*:1]
CCOc1ccc(Nc2nc(-c3cccs3)c(CC(=O)[O-])s2)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)Nc1nc(-c2cccs2)c(C[*:1])s1
CCOc1ccc(Nc2nc(-c3cccs3)c(CC(=O)[O-])s2)cc1 O=C([O-])C[*:1] CCOc1ccc(cc1)Nc1nc(-c2cccs2)c(s1)[*:1]
CCOc1ccc(Nc2nc(-c3cccs3)c(CC(=O)[O-])s2)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)Nc1nc(c(CC(=O)[O-])s1)[*:1]
CCOc1ccc(Nc2nc(-c3cccs3)c(CC(=O)[O-])s2)cc1 CCO[*:1] O=C([O-])Cc1sc(nc1-c1cccs1)Nc1ccc(cc1)[*:1]
CCOc1ccnc2c1c(=O)n(Cc1cccnc1)c(=O)n2C c1cncc(c1)C[*:1] CCOc1ccnc2c1c(=O)n(c(=O)n2C)[*:1]
CCOc1ccnc2c1c(=O)n(Cc1cccnc1)c(=O)n2C CCO[*:1] Cn1c(=O)n(Cc2cccnc2)c(=O)c2c(ccnc21)[*:1]
CCOc1ccnc2c1c(=O)n(Cc1cccnc1)c(=O)n2C c1cncc(c1)[*:1] CCOc1ccnc2c1c(=O)n(C[*:1])c(=O)n2C
O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CCCNC(=O)c1ccc(Cl)cc1)N[*:1]
O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCCNC(=O)c1ccc(Cl)cc1)NC[*:1]
O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCCNC(=O)[*:1])NCc1ccc(Cl)cc1
Cc1noc(C)c1CCNC(=O)C[C@H](C)Cc1ccc(Cl)cc1 Cc1noc(C)c1[*:1] C[C@@H](CC(=O)NCC[*:1])Cc1ccc(Cl)cc1
Cc1noc(C)c1CCNC(=O)C[C@H](C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1CCNC(=O)C[C@H](C)C[*:1]
CC(C)[C@@H]1C(=O)NC(=O)C[C@@]12CCC[C@@H]2S(C)(=O)=O CC(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@@]12CC(=O)NC(=O)[C@H]2[*:1]
CC(C)[C@@H]1C(=O)NC(=O)C[C@@]12CCC[C@@H]2S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)[C@@H]1C(=O)NC(=O)C[C@@]12CCC[C@H]2[*:1]
CCC[C@H](C)C[C@@H](O)[C@@](C)(CC)N1CCOCC1 CCC[C@H](C)[*:1] CC[C@](C)([C@H](O)C[*:1])N1CCOCC1
CCC[C@H](C)C[C@@H](O)[C@@](C)(CC)N1CCOCC1 CCC[C@H](C)C[*:1] CC[C@](C)([C@H](O)[*:1])N1CCOCC1
CCC[C@H](C)C[C@@H](O)[C@@](C)(CC)N1CCOCC1 C1CN(CCO1)[*:1] CCC[C@H](C)C[C@@H](O)[C@@](C)(CC)[*:1]
CCC[C@H](C)C[C@@H](O)[C@@](C)(CC)N1CCOCC1 CCC[*:1] CC[C@](C)([C@H](O)C[C@@H](C)[*:1])N1CCOCC1
C[C@@H](NC(=O)N[C@H]1CC=CCC1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)N[C@H]1CC=CCC1)[*:1]
CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccc(OC(C)C)c(OC)c2)C1=O CCC[*:1] COc1cc(ccc1OC(C)C)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccc(OC(C)C)c(OC)c2)C1=O CC(C)[*:1] CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccc(O[*:1])c(c2)OC)C1=O
CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccc(OC(C)C)c(OC)c2)C1=O CC(C)O[*:1] CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccc(c(c2)OC)[*:1])C1=O
CC[C@H]1CN(C(=O)c2cccc(C#N)c2)CC[C@@H]1c1ccccc1 N#Cc1cccc(c1)[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)[*:1]
CC[C@H]1CN(C(=O)c2cccc(C#N)c2)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@H]1[*:1])C(=O)c1cccc(C#N)c1
Cc1cc(C(=O)N2c3ccccc3CC[C@@H]2C(C)C)n(C)n1 Cc1cc(n(C)n1)[*:1] CC(C)[C@H]1CCc2ccccc2N1C(=O)[*:1]
Cc1cc(C(=O)N2c3ccccc3CC[C@@H]2C(C)C)n(C)n1 CC(C)[*:1] Cc1cc(C(=O)N2c3ccccc3CC[C@H]2[*:1])n(C)n1
C[C@@H](NC(=O)NCCCOC1CCCCC1)C1CC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)NCCCO[*:1])C1CC1
C[C@@H](NC(=O)NCCCOC1CCCCC1)C1CC1 C[C@@H](C1CC1)[*:1] O=C(NCCCOC1CCCCC1)N[*:1]
C[C@@H](NC(=O)NCCCOC1CCCCC1)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)NCCCOC1CCCCC1)[*:1]
Cc1cc(N)n(-c2cc(N3CCCC[C@H]3CCc3ccccc3)ncn2)[nH+]1 c1ccc(cc1)CC[*:1] Cc1cc(N)n([nH+]1)-c1cc(ncn1)N1CCCC[C@@H]1[*:1]
Cc1cc(N)n(-c2cc(N3CCCC[C@H]3CCc3ccccc3)ncn2)[nH+]1 c1ccc(cc1)[*:1] Cc1cc(N)n([nH+]1)-c1cc(ncn1)N1CCCC[C@H]1CC[*:1]
Cc1cc(N)n(-c2cc(N3CCCC[C@H]3CCc3ccccc3)ncn2)[nH+]1 c1ccc(cc1)C[*:1] Cc1cc(N)n([nH+]1)-c1cc(ncn1)N1CCCC[C@H]1C[*:1]
Fc1ccc(Cc2noc(CSc3nnc(-c4ccncc4)o3)n2)cc1 Fc1ccc(cc1)C[*:1] c1cc(ccn1)-c1nnc(o1)SCc1nc(no1)[*:1]
Fc1ccc(Cc2noc(CSc3nnc(-c4ccncc4)o3)n2)cc1 c1cc(ccn1)[*:1] Fc1ccc(cc1)Cc1noc(CSc2nnc(o2)[*:1])n1
Fc1ccc(Cc2noc(CSc3nnc(-c4ccncc4)o3)n2)cc1 Fc1ccc(cc1)[*:1] c1cc(ccn1)-c1nnc(o1)SCc1nc(C[*:1])no1
Cc1cn(C)nc1NC(=S)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cn(C)nc1NC(=S)N(Cc1ccccc1)[*:1]
Cc1cn(C)nc1NC(=S)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cn(C)nc1NC(=S)N(Cc1ccccc1)C[*:1]
Cc1cn(C)nc1NC(=S)N(Cc1ccccc1)Cc1ccccc1 Cc1cn(C)nc1[*:1] S=C(N[*:1])N(Cc1ccccc1)Cc1ccccc1
COc1cc2c(cc1OC)C[NH+](Cc1ccc(Cl)nc1)CC2 Clc1ccc(cn1)[*:1] COc1cc2CC[NH+](Cc2cc1OC)C[*:1]
Cc1ccc(CNc2ccc(CN3CCCC3=O)cc2)c(C)c1 O=C1CCCN1C[*:1] Cc1ccc(CNc2ccc(cc2)[*:1])c(C)c1
Cc1ccc(CNc2ccc(CN3CCCC3=O)cc2)c(C)c1 O=C1CCCN1[*:1] Cc1ccc(CNc2ccc(cc2)C[*:1])c(C)c1
CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)[*:1]
CN(Cc1cnn(C)c1)Cn1nc(Cl)c2ccccc21 Cn1cc(cn1)[*:1] CN(Cn1nc(Cl)c2ccccc21)C[*:1]
C[NH+](Cc1nnc(-c2cccs2)o1)Cc1ccccc1N1CCCC1 c1csc(c1)[*:1] C[NH+](Cc1nnc(o1)[*:1])Cc1ccccc1N1CCCC1
C[NH+](Cc1nnc(-c2cccs2)o1)Cc1ccccc1N1CCCC1 C1CCN(C1)[*:1] C[NH+](Cc1nnc(o1)-c1cccs1)Cc1ccccc1[*:1]
COCCN(Cc1ccccc1)C(=O)Cn1cnc2cc(F)ccc2c1=O c1ccc(cc1)C[*:1] COCCN(C(=O)Cn1cnc2cc(F)ccc2c1=O)[*:1]
COCCN(Cc1ccccc1)C(=O)Cn1cnc2cc(F)ccc2c1=O COC[*:1] O=C(Cn1cnc2cc(F)ccc2c1=O)N(Cc1ccccc1)C[*:1]
COCCN(Cc1ccccc1)C(=O)Cn1cnc2cc(F)ccc2c1=O COCC[*:1] O=C(Cn1cnc2cc(F)ccc2c1=O)N(Cc1ccccc1)[*:1]
COCCN(Cc1ccccc1)C(=O)Cn1cnc2cc(F)ccc2c1=O c1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)Cn1cnc2cc(F)ccc2c1=O
CCSc1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cn1 c1nc(cs1)C[*:1] CCSc1ccc(cn1)C(=O)N1CCN(CC1)[*:1]
CCSc1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cn1 c1nc(cs1)[*:1] CCSc1ccc(cn1)C(=O)N1CCN(CC1)C[*:1]
CCSc1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cn1 CCS[*:1] O=C(c1ccc(nc1)[*:1])N1CCN(CC1)Cc1cscn1
O=C(CSCC(F)(F)F)N1CCN(Cc2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(CSCC(F)(F)F)N1CCN(CC1)C[*:1]
O=C(CSCC(F)(F)F)N1CCN(Cc2ccccc2Cl)CC1 FC(F)(F)C[*:1] O=C(CS[*:1])N1CCN(CC1)Cc1ccccc1Cl
O=C(CSCC(F)(F)F)N1CCN(Cc2ccccc2Cl)CC1 FC(F)(F)[*:1] O=C(CSC[*:1])N1CCN(CC1)Cc1ccccc1Cl
O=C(CSCC(F)(F)F)N1CCN(Cc2ccccc2Cl)CC1 FC(F)(F)CS[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccccc1Cl
O=C(CSCC(F)(F)F)N1CCN(Cc2ccccc2Cl)CC1 FC(F)(F)CSC[*:1] O=C(N1CCN(CC1)Cc1ccccc1Cl)[*:1]
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)c(OCC)c1 CCO[*:1] CCOc1cc(ccc1-c1n[nH]c2OC(N)=C(C#N)[C@H](c3ccc(Cl)cc3)c12)[*:1]
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)c(OCC)c1 Clc1ccc(cc1)[*:1] CCOc1ccc(c(c1)OCC)-c1n[nH]c2OC(N)=C(C#N)[C@H](c12)[*:1]
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)c(OCC)c1 CCO[*:1] CCOc1ccc(c(c1)[*:1])-c1n[nH]c2OC(N)=C(C#N)[C@H](c3ccc(Cl)cc3)c12
COc1ccc(OCCNc2ccc(C)cc2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)OCCNc1ccc(C)cc1[*:1]
NC(=O)CONC(=O)c1cc(Br)c[nH]1 NC(=O)[*:1] O=C(NOC[*:1])c1cc(Br)c[nH]1
NC(=O)CONC(=O)c1cc(Br)c[nH]1 NC(=O)C[*:1] O=C(NO[*:1])c1cc(Br)c[nH]1
CCC[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 O=[N+]([O-])[*:1] CCC[C@@H](C)Nc1nc2cc(ccc2[nH]1)[*:1]
CCC[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 CCC[C@@H](C)N[*:1] O=[N+]([O-])c1ccc2[nH]c(nc2c1)[*:1]
CCC[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 CCC[*:1] C[C@@H](Nc1nc2cc(ccc2[nH]1)[N+](=O)[O-])[*:1]
CCC[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 CCC[C@@H](C)[*:1] O=[N+]([O-])c1ccc2[nH]c(nc2c1)N[*:1]
Cc1noc(-c2cc(=O)n(CC(=O)NCc3cccs3)nc2-c2cccs2)c1C Cc1noc(c1C)[*:1] O=C(Cn1nc(-c2cccs2)c(cc1=O)[*:1])NCc1cccs1
Cc1noc(-c2cc(=O)n(CC(=O)NCc3cccs3)nc2-c2cccs2)c1C O=C(NCc1cccs1)[*:1] Cc1noc(-c2cc(=O)n(C[*:1])nc2-c2cccs2)c1C
Cc1noc(-c2cc(=O)n(CC(=O)NCc3cccs3)nc2-c2cccs2)c1C c1csc(c1)C[*:1] Cc1noc(-c2cc(=O)n(CC(=O)N[*:1])nc2-c2cccs2)c1C
Cc1noc(-c2cc(=O)n(CC(=O)NCc3cccs3)nc2-c2cccs2)c1C c1csc(c1)[*:1] Cc1noc(-c2cc(=O)n(CC(=O)NCc3cccs3)nc2[*:1])c1C
Cc1noc(-c2cc(=O)n(CC(=O)NCc3cccs3)nc2-c2cccs2)c1C c1csc(c1)[*:1] Cc1noc(-c2cc(=O)n(CC(=O)NC[*:1])nc2-c2cccs2)c1C
C#CCOc1ccc(OC)cc1/C=N/NCc1c(Cl)cccc1Cl C#CCO[*:1] COc1ccc(c(/C=N/NCc2c(Cl)cccc2Cl)c1)[*:1]
C#CCOc1ccc(OC)cc1/C=N/NCc1c(Cl)cccc1Cl C#CC[*:1] COc1ccc(O[*:1])c(/C=N/NCc2c(Cl)cccc2Cl)c1
C#CCOc1ccc(OC)cc1/C=N/NCc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] C#CCOc1ccc(cc1/C=N/NC[*:1])OC
COCCOc1ncccc1C(=O)N1CC[S@@](=O)C(C)(C)C1 COCCO[*:1] CC1(C)CN(CC[S@]1=O)C(=O)c1cccnc1[*:1]
COCCOc1ncccc1C(=O)N1CC[S@@](=O)C(C)(C)C1 COC[*:1] CC1(C)CN(CC[S@]1=O)C(=O)c1cccnc1OC[*:1]
COCCOc1ncccc1C(=O)N1CC[S@@](=O)C(C)(C)C1 COCC[*:1] CC1(C)CN(CC[S@]1=O)C(=O)c1cccnc1O[*:1]
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)N(C)CC(=O)N[*:1]
O=C([O-])COc1ccc(NC(=O)c2ccc(Br)cc2)cc1-c1nc2ccccc2o1 Brc1ccc(cc1)[*:1] O=C([O-])COc1ccc(cc1-c1nc2ccccc2o1)NC(=O)[*:1]
O=C([O-])COc1ccc(NC(=O)c2ccc(Br)cc2)cc1-c1nc2ccccc2o1 O=C(N[*:1])c1ccc(Br)cc1 O=C([O-])COc1ccc(cc1-c1nc2ccccc2o1)[*:1]
O=C([O-])COc1ccc(NC(=O)c2ccc(Br)cc2)cc1-c1nc2ccccc2o1 O=C([O-])C[*:1] O=C(Nc1ccc(O[*:1])c(c1)-c1nc2ccccc2o1)c1ccc(Br)cc1
O=C([O-])COc1ccc(NC(=O)c2ccc(Br)cc2)cc1-c1nc2ccccc2o1 O=C([O-])[*:1] O=C(Nc1ccc(OC[*:1])c(c1)-c1nc2ccccc2o1)c1ccc(Br)cc1
O=C([O-])COc1ccc(NC(=O)c2ccc(Br)cc2)cc1-c1nc2ccccc2o1 O=C([O-])CO[*:1] O=C(Nc1ccc(c(c1)-c1nc2ccccc2o1)[*:1])c1ccc(Br)cc1
O=C([O-])COc1ccc(NC(=O)c2ccc(Br)cc2)cc1-c1nc2ccccc2o1 c1ccc2oc(nc2c1)[*:1] O=C([O-])COc1ccc(cc1[*:1])NC(=O)c1ccc(Br)cc1
CCC[C@H](C=O)CCC(=O)c1ccc(Br)cc1 CCC[*:1] O=C[C@H](CCC(=O)c1ccc(Br)cc1)[*:1]
Cc1ccc(Cl)cc1Nc1ncnc(OC(C)C)c1N CC(C)[*:1] Cc1ccc(Cl)cc1Nc1ncnc(O[*:1])c1N
Cc1ccc(Cl)cc1Nc1ncnc(OC(C)C)c1N CC(C)O[*:1] Cc1ccc(Cl)cc1Nc1ncnc(c1N)[*:1]
CN(CC1CCCC1)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] CN(CC1CCCC1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CN(CC1CCCC1)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 C1CCC(C1)C[*:1] CN(C(=O)C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O)[*:1]
CN(CC1CCCC1)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 C1CCC(C1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O
Cn1cnc(CNC(=O)NNC(=O)c2ccc(Br)cc2Cl)n1 Cn1cnc(C[*:1])n1 O=C(NNC(=O)c1ccc(Br)cc1Cl)N[*:1]
Cn1cnc(CNC(=O)NNC(=O)c2ccc(Br)cc2Cl)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])NNC(=O)c1ccc(Br)cc1Cl
CNC(=O)c1cccc(NC(=O)NCCOCC(F)(F)F)c1C FC(F)(F)CO[*:1] CNC(=O)c1cccc(NC(=O)NCC[*:1])c1C
CNC(=O)c1cccc(NC(=O)NCCOCC(F)(F)F)c1C FC(F)(F)C[*:1] CNC(=O)c1cccc(NC(=O)NCCO[*:1])c1C
CNC(=O)c1cccc(NC(=O)NCCOCC(F)(F)F)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)NCCOCC(F)(F)F
CNC(=O)c1cccc(NC(=O)NCCOCC(F)(F)F)c1C FC(F)(F)[*:1] CNC(=O)c1cccc(NC(=O)NCCOC[*:1])c1C
CNC(=O)c1cccc(NC(=O)NCCOCC(F)(F)F)c1C FC(F)(F)COC[*:1] CNC(=O)c1cccc(NC(=O)NC[*:1])c1C
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCc2ccc(Cn3cncn3)cc2)C1 c1ncn(C[*:1])n1 C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCc1ccc(cc1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCc2ccc(Cn3cncn3)cc2)C1 c1ncn(n1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCc1ccc(cc1)C[*:1]
CC(C)(C)c1nnc(N[C@@H]2COc3ccccc32)o1 CC(C)(C)[*:1] c1ccc2c(c1)OC[C@H]2Nc1nnc(o1)[*:1]
Cc1nn(C)cc1CN(Cc1ccccc1)CC(F)F c1ccc(cc1)[*:1] Cc1nn(C)cc1CN(CC(F)F)C[*:1]
Cc1nn(C)cc1CN(Cc1ccccc1)CC(F)F FC(F)C[*:1] Cc1nn(C)cc1CN(Cc1ccccc1)[*:1]
Cc1nn(C)cc1CN(Cc1ccccc1)CC(F)F FC(F)[*:1] Cc1nn(C)cc1CN(Cc1ccccc1)C[*:1]
CCC[NH2+][C@H]1CCN(c2cc(C)cc(F)c2)[C@H](C)[C@@H]1C CCC[*:1] Cc1cc(F)cc(c1)N1CC[C@H]([NH2+][*:1])[C@@H](C)[C@H]1C
N#Cc1c(SCC(=O)c2ccccc2)sc(C(=O)c2ccccc2)c1N O=C(c1ccccc1)[*:1] N#Cc1c(SC[*:1])sc(C(=O)c2ccccc2)c1N
N#Cc1c(SCC(=O)c2ccccc2)sc(C(=O)c2ccccc2)c1N c1ccc(cc1)[*:1] N#Cc1c(SCC(=O)[*:1])sc(C(=O)c2ccccc2)c1N
N#Cc1c(SCC(=O)c2ccccc2)sc(C(=O)c2ccccc2)c1N O=C(c1ccccc1)[*:1] N#Cc1c(SCC(=O)c2ccccc2)sc(c1N)[*:1]
N#Cc1c(SCC(=O)c2ccccc2)sc(C(=O)c2ccccc2)c1N c1ccc(cc1)[*:1] N#Cc1c(SCC(=O)c2ccccc2)sc(C(=O)[*:1])c1N
O=C(c1csc(-c2ccsc2)n1)N1CCO[C@@H]2CCCC[C@@H]21 c1cc(cs1)[*:1] O=C(c1csc(n1)[*:1])N1CCO[C@@H]2CCCC[C@@H]21
CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(N)c1C Cc1ccc(cc1)[*:1] CC[C@@H](O[*:1])C(=O)Nc1cccc(N)c1C
Cc1cc2cc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)ccc2o1 Fc1cccc(c1)[*:1] Cc1cc2cc(ccc2o1)C(=O)NCC1(CCOCC1)[*:1]
c1ccc(CCOc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)cc1 c1ccc(cc1)[*:1] c1cc(ccc1OCC[*:1])-c1noc(n1)[C@H]1CCCO1
c1ccc(CCOc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)cc1 c1ccc(cc1)CC[*:1] c1cc(ccc1O[*:1])-c1noc(n1)[C@H]1CCCO1
c1ccc(CCOc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)cc1 c1ccc(cc1)C[*:1] c1cc(ccc1OC[*:1])-c1noc(n1)[C@H]1CCCO1
COc1ccccc1CC(=O)N[C@@H](C)c1ccccc1N Nc1ccccc1[*:1] COc1ccccc1CC(=O)N[C@@H](C)[*:1]
Cc1cc(-c2noc([C@@H](C)Sc3nnnn3C(C)C)n2)ccc1F Cc1cc(ccc1F)[*:1] CC(C)n1nnnc1S[C@H](C)c1nc(no1)[*:1]
Cc1cc(-c2noc([C@@H](C)Sc3nnnn3C(C)C)n2)ccc1F CC(C)[*:1] Cc1cc(ccc1F)-c1noc(n1)[C@@H](C)Sc1nnnn1[*:1]
Cc1cc(-c2noc([C@@H](C)Sc3nnnn3C(C)C)n2)ccc1F CC(C)n1nnnc1[*:1] Cc1cc(ccc1F)-c1noc(n1)[C@@H](C)S[*:1]
COc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-n1nc2ccc(cc2n1)NC(=O)c1ccc(c(c1)[*:1])N1CCCC1
COc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2nn(nc2c1)[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
COc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 C1CCN(C1)[*:1] COc1ccc(cc1)-n1nc2ccc(cc2n1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCS(=O)(=O)/N=c1/[nH]c(C)c(C(=O)[O-])s1 O=C([O-])[*:1] CCS(=O)(=O)/N=c1/[nH]c(C)c(s1)[*:1]
O=S(=O)(c1ccc(F)c(F)c1)N1CCO[C@H](c2nc(-c3cccs3)no2)C1 Fc1ccc(cc1F)[*:1] O=S(=O)(N1CCO[C@@H](C1)c1nc(no1)-c1cccs1)[*:1]
O=S(=O)(c1ccc(F)c(F)c1)N1CCO[C@H](c2nc(-c3cccs3)no2)C1 c1csc(c1)[*:1] O=S(=O)(c1ccc(F)c(F)c1)N1CCO[C@@H](C1)c1nc(no1)[*:1]
CCOC(=O)c1[nH]c(C)c(/C=N\O)c1C ON=C[*:1] CCOC(=O)c1[nH]c(C)c(c1C)[*:1]
CCOC(=O)c1[nH]c(C)c(/C=N\O)c1C CCOC(=O)[*:1] Cc1[nH]c(c(C)c1/C=N\O)[*:1]
Fc1nc(F)c(F)c(NCc2nncn2C2CC2)c1F C1CC1[*:1] Fc1nc(F)c(F)c(NCc2nncn2[*:1])c1F
O=C([O-])[C@@H](CCOCCO)c1cccc(F)c1 OCCO[*:1] O=C([O-])[C@@H](CC[*:1])c1cccc(F)c1
O=C([O-])[C@@H](CCOCCO)c1cccc(F)c1 O=C([O-])[*:1] OCCOCC[C@@H](c1cccc(F)c1)[*:1]
O=C([O-])[C@@H](CCOCCO)c1cccc(F)c1 OCCOC[*:1] O=C([O-])[C@@H](C[*:1])c1cccc(F)c1
O=C([O-])[C@@H](CCOCCO)c1cccc(F)c1 OCC[*:1] O=C([O-])[C@@H](CCO[*:1])c1cccc(F)c1
Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)C=CS1 c1ccc(cc1)[*:1] Cc1sc2c(c1C)c(=O)nc1SC=C[C@H](n12)[*:1]
COc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c2cccnc12 O=[N+]([O-])[*:1] COc1ccc(NC(=O)/C=C/c2ccccc2[*:1])c2cccnc12
CCc1ccc(C2=CCN(Cc3nnc(C)n3C)CC2)cc1 Cc1nnc(n1C)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C[*:1]
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 NC(=O)[*:1] N#C/C(=C/Nc1ccc(cc1)[*:1])c1nc(cs1)-c1ccc2OCOc2c1
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 NC(=O)c1ccc(cc1)[*:1] N#C/C(=C/N[*:1])c1nc(cs1)-c1ccc2OCOc2c1
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 c1cc2OCOc2cc1[*:1] N#C/C(=C/Nc1ccc(cc1)C(N)=O)c1nc(cs1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)NCC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](Sc1ccccn1)C(=O)NCC1(CC1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)NCC1(c2ccccc2)CC1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)NCC1(CC1)c1ccccc1
C[C@@H](Sc1ccccn1)C(=O)NCC1(c2ccccc2)CC1 c1ccc(nc1)S[*:1] C[C@@H](C(=O)NCC1(CC1)c1ccccc1)[*:1]
NS(=O)(=O)c1cccnc1N[C@@H]1C[C@@H]2CCCc3cccc1c32 NS(=O)(=O)[*:1] c1cc2CCC[C@H]3C[C@@H](Nc4ncccc4[*:1])c(c1)c23
COc1ccccc1N1CC[NH+](CCNS(=O)(=O)c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] COc1ccccc1N1CC[NH+](CCNS(=O)(=O)[*:1])CC1
COc1ccccc1N1CC[NH+](CCNS(=O)(=O)c2cccc(C)c2)CC1 COc1ccccc1[*:1] Cc1cccc(c1)S(=O)(=O)NCC[NH+]1CCN(CC1)[*:1]
COC(=O)[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)C(C)(C)C COC(=O)[*:1] CC(C)(C)[C@H](NC(=O)c1c[nH]c2cccc(F)c12)[*:1]
COC(=O)[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)C(C)(C)C CC(C)(C)[*:1] COC(=O)[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)[*:1]
CCc1noc([C@@H](C)Sc2nnc(N3CCOCC3)n2Cc2ccccc2)n1 c1ccc(cc1)[*:1] CCc1noc(n1)[C@@H](C)Sc1nnc(N2CCOCC2)n1C[*:1]
CCc1noc([C@@H](C)Sc2nnc(N3CCOCC3)n2Cc2ccccc2)n1 C1CN(CCO1)[*:1] CCc1noc(n1)[C@@H](C)Sc1nnc(n1Cc1ccccc1)[*:1]
CCc1noc([C@@H](C)Sc2nnc(N3CCOCC3)n2Cc2ccccc2)n1 CCc1noc(n1)[*:1] C[C@@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)[*:1]
CCc1noc([C@@H](C)Sc2nnc(N3CCOCC3)n2Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CCc1noc(n1)[C@@H](C)Sc1nnc(N2CCOCC2)n1[*:1]
CCOC(=O)N[C@H](SC)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CCOC(=O)N[C@H](SC)[*:1]
COc1c(CCNC(=O)C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1c(cc(cc1[N+](=O)[O-])[*:1])CCNC(=O)C(F)(F)F
COc1c(CCNC(=O)C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=C(N[*:1])C(F)(F)F COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[*:1]
COc1c(CCNC(=O)C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] FC(F)(F)[*:1] COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])CCNC(=O)[*:1]
COc1c(CCNC(=O)C(F)(F)F)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1c(cc(cc1[*:1])[N+](=O)[O-])CCNC(=O)C(F)(F)F
COc1ccc([C@H](C)NC(=O)C(=O)c2c(C)nn(C)c2C)cc1OC Cc1nn(C)c(C)c1[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)C(=O)[*:1]
CC[C@H](COC)[NH2+]Cc1nnc(-c2ccccc2)s1 COC[*:1] CC[C@H]([NH2+]Cc1nnc(s1)-c1ccccc1)[*:1]
CC[C@H](COC)[NH2+]Cc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CC[C@H](COC)[NH2+]Cc1nnc(s1)[*:1]
Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+](C)C1CCS(=O)(=O)CC1 CC(C)OC(=O)C[*:1] Cc1nn(c(C)c1C[NH+](C)C1CCS(=O)(=O)CC1)[*:1]
Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+](C)C1CCS(=O)(=O)CC1 CC(C)OC(=O)[*:1] Cc1nn(C[*:1])c(C)c1C[NH+](C)C1CCS(=O)(=O)CC1
Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+](C)C1CCS(=O)(=O)CC1 CC(C)[*:1] Cc1nn(CC(=O)O[*:1])c(C)c1C[NH+](C)C1CCS(=O)(=O)CC1
CCC[NH+]1CCC(NC(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 CCC[*:1] CS(=O)(=O)[N-]c1ccccc1C(=O)NC1CC[NH+](CC1)[*:1]
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 c1ncn(n1)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] C[C@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] C[C@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)N[C@@H](C1CC1)[*:1]
O=C([O-])c1ccc(N2CC3(CC3)C2)cc1 O=C([O-])[*:1] c1cc(ccc1N1CC2(CC2)C1)[*:1]
CC(C)n1cnnc1CCNC(=O)Nc1cncc2ccccc12 CC(C)[*:1] O=C(NCCc1nncn1[*:1])Nc1cncc2ccccc12
CC(C)n1cnnc1CCNC(=O)Nc1cncc2ccccc12 CC(C)n1cnnc1[*:1] O=C(NCC[*:1])Nc1cncc2ccccc12
O=C(Nc1ccc(F)cc1)C1(c2ccc(Cl)cc2)CCC1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)C1(CCC1)[*:1]
O=C(Nc1ccc(F)cc1)C1(c2ccc(Cl)cc2)CCC1 Fc1ccc(cc1)[*:1] O=C(N[*:1])C1(CCC1)c1ccc(Cl)cc1
Cc1ncsc1CCN(C)C(=O)c1ccc(Cn2cnnn2)cc1 Cc1ncsc1[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)Cn1cnnn1
Cc1ncsc1CCN(C)C(=O)c1ccc(Cn2cnnn2)cc1 c1nnnn1C[*:1] Cc1ncsc1CCN(C)C(=O)c1ccc(cc1)[*:1]
Cc1ncsc1CCN(C)C(=O)c1ccc(Cn2cnnn2)cc1 Cc1ncsc1CC[*:1] CN(C(=O)c1ccc(cc1)Cn1cnnn1)[*:1]
Cc1ncsc1CCN(C)C(=O)c1ccc(Cn2cnnn2)cc1 Cc1ncsc1C[*:1] CN(C[*:1])C(=O)c1ccc(cc1)Cn1cnnn1
Cc1ncsc1CCN(C)C(=O)c1ccc(Cn2cnnn2)cc1 c1nnnn1[*:1] Cc1ncsc1CCN(C)C(=O)c1ccc(cc1)C[*:1]
CC1CCN(c2ccc(CNC(=O)c3ccc([O-])nn3)c[nH+]2)CC1 [O-]c1ccc(nn1)[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)[*:1]
CC1CCN(c2ccc(CNC(=O)c3ccc([O-])nn3)c[nH+]2)CC1 CC1CCN(CC1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])c1ccc([O-])nn1
COCCOc1ccc(CNC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)cn1 COCC[*:1] O=C(NCc1ccc(nc1)O[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
COCCOc1ccc(CNC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)cn1 COCCO[*:1] O=C(NCc1ccc(nc1)[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
COCCOc1ccc(CNC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)cn1 COC[*:1] O=C(NCc1ccc(nc1)OC[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
CSc1ccc(NC(=O)c2cc(C(C)C)no2)cc1 CC(C)[*:1] CSc1ccc(cc1)NC(=O)c1cc(no1)[*:1]
CC(C)(Cc1ccccc1Cl)NC(=O)C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(Cc1ccccc1Cl)NC(=O)C[C@@H](O)[*:1]
CC(C)(Cc1ccccc1Cl)NC(=O)C[C@@H](O)c1ccccc1 Clc1ccccc1[*:1] CC(C)(C[*:1])NC(=O)C[C@@H](O)c1ccccc1
Cc1cc(NC(=O)[C@@H]2CCC(=O)O2)n(-c2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] Cc1cc(NC(=O)[C@@H]2CCC(=O)O2)n(n1)-c1ccccc1[*:1]
CC[C@H](C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2[*:1])c1ccccc1
CC[C@H](C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccccc1)[*:1]
C[C@H]1CC(C(=O)N(CC2CC2)C2CCCCC2)C[C@H](C)O1 C1CC1[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(C[*:1])C1CCCCC1
C[C@H]1CC(C(=O)N(CC2CC2)C2CCCCC2)C[C@H](C)O1 C1CC1C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(C1CCCCC1)[*:1]
C[C@H]1CC(C(=O)N(CC2CC2)C2CCCCC2)C[C@H](C)O1 C1CCC(CC1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(CC1CC1)[*:1]
CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1Cc2ccccc2C1 CC(C)(C)[*:1] c1ccc2CC(Cc2c1)[NH2+][C@@H](Cn1cc[nH+]c1)[*:1]
CCCCCCNc1cnn(-c2ccccc2)c(=O)c1Cl c1ccc(cc1)[*:1] CCCCCCNc1cnn(c(=O)c1Cl)[*:1]
CCCCCCNc1cnn(-c2ccccc2)c(=O)c1Cl CCCC[*:1] O=c1c(Cl)c(cnn1-c1ccccc1)NCC[*:1]
CCCCCCNc1cnn(-c2ccccc2)c(=O)c1Cl CCCCCC[*:1] O=c1c(Cl)c(cnn1-c1ccccc1)N[*:1]
CCCCCCNc1cnn(-c2ccccc2)c(=O)c1Cl CCCCC[*:1] O=c1c(Cl)c(cnn1-c1ccccc1)NC[*:1]
CCCCCCNc1cnn(-c2ccccc2)c(=O)c1Cl CCC[*:1] O=c1c(Cl)c(cnn1-c1ccccc1)NCCC[*:1]
CCCCCCNc1cnn(-c2ccccc2)c(=O)c1Cl CCCCCCN[*:1] O=c1c(Cl)c(cnn1-c1ccccc1)[*:1]
Cc1ccc(CNC(=O)N2CCN(S(C)(=O)=O)CC2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)N2CCN(CC2)S(C)(=O)=O)c(c1)[*:1]
CC1([C@@H](O)Cc2ccc3ccccc3n2)CCCC1 CC1(CCCC1)[*:1] O[C@@H](Cc1ccc2ccccc2n1)[*:1]
CN1CCO[C@@H](C(=O)NCCCCCc2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCO[C@H](C1)C(=O)NCCCCC[*:1]
CN1CCO[C@@H](C(=O)NCCCCCc2ccccc2)C1 c1ccc(cc1)C[*:1] CN1CCO[C@H](C1)C(=O)NCCCC[*:1]
Nc1ccc(F)cc1SC[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] Nc1ccc(F)cc1SC[C@@H](O)[*:1]
O=C(NCCNC(=O)c1ccc(F)cc1)NOC1CCCC1 C1CCC(C1)[*:1] O=C(NCCNC(=O)c1ccc(F)cc1)NO[*:1]
O=C(NCCNC(=O)c1ccc(F)cc1)NOC1CCCC1 Fc1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])NOC1CCCC1
Cc1nnc(NC[C@H](c2ccco2)[NH+](C)C)s1 c1coc(c1)[*:1] Cc1nnc(NC[C@H]([NH+](C)C)[*:1])s1
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ClC(Cl)=C[*:1] CC1(C)[C@H]([C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)[*:1]
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N(Cc1ccccc1)[*:1]
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(CCCNC(=O)c2cc(S(N)(=O)=O)c(C)o2)cc1 COc1ccc(cc1)[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)NCCC[*:1]
COc1ccc(CCCNC(=O)c2cc(S(N)(=O)=O)c(C)o2)cc1 NS(=O)(=O)[*:1] COc1ccc(cc1)CCCNC(=O)c1cc(c(C)o1)[*:1]
C[C@H]1CN(C(=O)NCCCC(C)(C)CO)C[C@H](C)S1 CC(C)(CO)C[*:1] C[C@H]1CN(C[C@H](C)S1)C(=O)NCC[*:1]
C[C@H]1CN(C(=O)NCCCC(C)(C)CO)C[C@H](C)S1 CC(C)(CO)[*:1] C[C@H]1CN(C[C@H](C)S1)C(=O)NCCC[*:1]
O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccncc1 c1cc(ccn1)[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)[*:1]
CCNC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CCNC(=O)[*:1] CC(C)C[C@@H](N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[*:1]
CCNC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CC(C)C[*:1] CCNC(=O)[C@@H](N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[*:1]
CCNC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CC(C)[*:1] CCNC(=O)[C@@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cc(F)c(Cl)cc1Cl Fc1cc(c(Cl)cc1Cl)[*:1] O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)[*:1]
O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cc(F)c(Cl)cc1Cl O=S(=O)(N1CCOCC1)[*:1] O=C(NCc1ccccc1[*:1])c1cc(F)c(Cl)cc1Cl
Cc1cncc(NC(=O)NCCCN2C(=O)COc3ccccc32)c1 Cc1cncc(c1)[*:1] O=C(NCCCN1C(=O)COc2ccccc21)N[*:1]
Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)c1cccc(-c3ccccc3F)c1)CC2 Fc1ccccc1[*:1] Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(CC2)C(=O)c1cccc(c1)[*:1]
Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)c1cccc(-c3ccccc3F)c1)CC2 Cc1nonc1[*:1] CN(C[*:1])C(=O)[C@H]1CC12CCN(CC2)C(=O)c1cccc(c1)-c1ccccc1F
COc1ccccc1Oc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 COc1ccccc1O[*:1] O=C(Nc1cc(cc(c1)[*:1])[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
COc1ccccc1Oc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 COc1ccccc1[*:1] O=C(Nc1cc(cc(c1)[N+](=O)[O-])O[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1ccccc1Oc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccccc1Oc1cc(cc(c1)[*:1])NC(=O)c1ccc(cc1)[N+](=O)[O-]
COc1ccccc1Oc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccccc1Oc1cc(cc(c1)[N+](=O)[O-])NC(=O)[*:1]
COc1ccccc1Oc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccccc1Oc1cc(cc(c1)[N+](=O)[O-])NC(=O)c1ccc(cc1)[*:1]
CN(C(=O)CC(C)(C)C)[C@@H]1CCCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)CC(C)(C)C)[C@@H]1CCCC[C@@H]1[*:1]
CN(C(=O)CC(C)(C)C)[C@@H]1CCCC[C@H]1S(C)(=O)=O CC(C)(C)[*:1] CN(C(=O)C[*:1])[C@@H]1CCCC[C@H]1S(C)(=O)=O
CN(C(=O)CC(C)(C)C)[C@@H]1CCCC[C@H]1S(C)(=O)=O CC(C)(C)C[*:1] CN(C(=O)[*:1])[C@@H]1CCCC[C@H]1S(C)(=O)=O
Cc1nc(C)n(-c2ccc(C(=O)N[C@@H](C(N)=O)c3ccccc3)cc2)n1 Cc1nc(C)n(n1)[*:1] NC(=O)[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1
Cc1nc(C)n(-c2ccc(C(=O)N[C@@H](C(N)=O)c3ccccc3)cc2)n1 NC(=O)[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1nc(C)n(-c2ccc(C(=O)N[C@@H](C(N)=O)c3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)N[C@@H](C(N)=O)[*:1]
C[NH+](C)CC(=O)N1CCN(C[C@@H]2CCCCO2)CC1 C1CC[C@H](OC1)[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C[*:1]
COc1cccc(CNC(=O)/C=C/c2cnc(C(C)(C)C)s2)c1OC CC(C)(C)[*:1] COc1cccc(CNC(=O)/C=C/c2cnc(s2)[*:1])c1OC
Cc1ccc(NCCNC(=O)c2sccc2Br)n[nH+]1 Brc1ccsc1[*:1] Cc1ccc(n[nH+]1)NCCNC(=O)[*:1]
O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)Nc2ccccn2)c1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1cccc(c1)C(=O)Nc1ccccn1
O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)Nc2ccccn2)c1 O=C(Nc1ccccn1)[*:1] O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cccc(c1)[*:1]
O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)Nc2ccccn2)c1 c1ccc(nc1)[*:1] O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cccc(c1)C(=O)N[*:1]
CC(C)C[C@H](CNC(=O)/C=C/c1ccc(Br)o1)C(=O)[O-] Brc1ccc(o1)[*:1] CC(C)C[C@H](CNC(=O)C=C[*:1])C(=O)[O-]
CC(C)C[C@H](CNC(=O)/C=C/c1ccc(Br)o1)C(=O)[O-] CC(C)C[*:1] O=C(/C=C/c1ccc(Br)o1)NC[C@H](C(=O)[O-])[*:1]
CC(C)C[C@H](CNC(=O)/C=C/c1ccc(Br)o1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)/C=C/c1ccc(Br)o1)[*:1]
CC(C)C[C@H](CNC(=O)/C=C/c1ccc(Br)o1)C(=O)[O-] CC(C)[*:1] O=C(/C=C/c1ccc(Br)o1)NC[C@@H](C[*:1])C(=O)[O-]
Cc1cc(C)cc(N2CC[C@@H](C(=O)NCc3ccc(C(N)=O)o3)C2=O)c1 NC(=O)c1ccc(o1)[*:1] Cc1cc(C)cc(c1)N1CC[C@@H](C(=O)NC[*:1])C1=O
Cc1cc(C)cc(N2CC[C@@H](C(=O)NCc3ccc(C(N)=O)o3)C2=O)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)N1CC[C@@H](C(=O)NCc2ccc(o2)[*:1])C1=O
Cc1cc(C)cc(N2CC[C@@H](C(=O)NCc3ccc(C(N)=O)o3)C2=O)c1 Cc1cc(C)cc(c1)[*:1] NC(=O)c1ccc(CNC(=O)[C@@H]2CCN(C2=O)[*:1])o1
CCC(CC)[NH+](C)CC(=O)Nc1cccc(C(C)=O)c1 CC(=O)[*:1] CCC(CC)[NH+](C)CC(=O)Nc1cccc(c1)[*:1]
O=C([O-])c1ccc(N2C(=O)C[C@H](Nc3ccc(O)cc3)C2=O)cc1O Oc1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1O)N1C(=O)C[C@H](N[*:1])C1=O
O=C([O-])c1ccc(N2C(=O)C[C@H](Nc3ccc(O)cc3)C2=O)cc1O Oc1ccc(cc1)N[*:1] O=C([O-])c1ccc(cc1O)N1C(=O)C[C@H](C1=O)[*:1]
O=C([O-])c1ccc(N2C(=O)C[C@H](Nc3ccc(O)cc3)C2=O)cc1O O=C([O-])[*:1] O=C1C[C@H](Nc2ccc(O)cc2)C(=O)N1c1ccc(c(O)c1)[*:1]
COc1ccc(Br)c([C@H](Cl)[C@@H](C)c2ccccn2)c1 c1ccc(nc1)[*:1] COc1ccc(Br)c(c1)[C@H](Cl)[C@@H](C)[*:1]
CCCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCCOc1ccccc1NC(=O)N1CCC[C@H]1[*:1]
CCCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 CCCO[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)Nc1ccccc1[*:1]
CCCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)Nc1ccccc1O[*:1]
Cc1nccnc1N1CCC2(CCC(=O)N([C@@H](C)C(=O)[O-])C2)CC1 Cc1nccnc1[*:1] C[C@@H](C(=O)[O-])N1CC2(CCC1=O)CCN(CC2)[*:1]
Cc1nccnc1N1CCC2(CCC(=O)N([C@@H](C)C(=O)[O-])C2)CC1 O=C([O-])[*:1] Cc1nccnc1N1CCC2(CCC(=O)N(C2)[C@@H](C)[*:1])CC1
CCOc1ccc(Oc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 C1CCC(C1)[*:1] CCOc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)N[*:1]
CCOc1ccc(Oc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 CCO[*:1] O=S(=O)(NC1CCCC1)c1ccc(cc1)Oc1ccc(cc1)[*:1]
Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-n1ccnc1
Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)c1 c1cn(cn1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
CC(=O)c1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1 C1CO[C@@H](C1)CO[*:1] CC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CC(=O)c1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)OC[C@@H]1CCCO1
CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CCOc1ccccc1 c1ccc(cc1)O[*:1] CN(C[C@H]1CCN(C1)c1ccccc1)C(=O)CC[*:1]
CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CCOc1ccccc1 c1ccc(cc1)[*:1] CN(C[C@H]1CCN(C1)[*:1])C(=O)CCOc1ccccc1
CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CCOc1ccccc1 c1ccc(cc1)OC[*:1] CN(C[C@H]1CCN(C1)c1ccccc1)C(=O)C[*:1]
CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CCOc1ccccc1 c1ccc(cc1)[*:1] CN(C[C@H]1CCN(C1)c1ccccc1)C(=O)CCO[*:1]
CCN1CCN(C(=O)[C@@H](C)Sc2nnc(Nc3cccc(C)c3C)s2)CC1 Cc1cccc(c1C)[*:1] CCN1CCN(CC1)C(=O)[C@@H](C)Sc1nnc(N[*:1])s1
CCN1CCN(C(=O)[C@@H](C)Sc2nnc(Nc3cccc(C)c3C)s2)CC1 Cc1cccc(N[*:1])c1C CCN1CCN(CC1)C(=O)[C@@H](C)Sc1nnc(s1)[*:1]
CCC[NH2+][C@H](C)c1ccccc1NC(=O)N(CC)CC CCC[*:1] CCN(CC)C(=O)Nc1ccccc1[C@@H](C)[NH2+][*:1]
Cc1sc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)cc1C[NH+]1CCOCC1 Clc1cccc(c1)[*:1] Cc1sc(cc1C[NH+]1CCOCC1)[C@@H]1C(C#N)=C(N)N(C2CCCC(=O)C=21)[*:1]
CC(=O)Nc1cccc(OCC[NH2+][C@H]2CCc3cc(Cl)ccc32)c1 CC(=O)N[*:1] Clc1ccc2c(c1)CC[C@@H]2[NH2+]CCOc1cccc(c1)[*:1]
C[C@H](c1ccccc1F)N(C(=O)C[C@@H](O)c1ccccc1)C1CC1 O[C@@H](c1ccccc1)[*:1] C[C@H](c1ccccc1F)N(C(=O)C[*:1])C1CC1
C[C@H](c1ccccc1F)N(C(=O)C[C@@H](O)c1ccccc1)C1CC1 c1ccc(cc1)[*:1] C[C@H](c1ccccc1F)N(C(=O)C[C@@H](O)[*:1])C1CC1
C[C@H](c1ccccc1F)N(C(=O)C[C@@H](O)c1ccccc1)C1CC1 C1CC1[*:1] C[C@H](c1ccccc1F)N(C(=O)C[C@@H](O)c1ccccc1)[*:1]
C[C@H](c1ccccc1F)N(C(=O)C[C@@H](O)c1ccccc1)C1CC1 Fc1ccccc1[*:1] C[C@H](N(C(=O)C[C@@H](O)c1ccccc1)C1CC1)[*:1]
CC(C)[C@@H]1CCCN1C(=O)N1CCO[C@H](CC(=O)[O-])C1 CC(C)[*:1] O=C([O-])C[C@@H]1CN(CCO1)C(=O)N1CCC[C@H]1[*:1]
CC(C)[C@@H]1CCCN1C(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])C[*:1] CC(C)[C@@H]1CCCN1C(=O)N1CCO[C@H](C1)[*:1]
CC(C)[C@@H]1CCCN1C(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])[*:1] CC(C)[C@@H]1CCCN1C(=O)N1CCO[C@@H](C1)C[*:1]
N#Cc1csc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c1 N#Cc1csc(c1)[*:1] O=C1C[C@@H](CN1c1ccccc1)NC(=O)[*:1]
N#Cc1csc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c1 c1ccc(cc1)[*:1] N#Cc1csc(c1)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
O=C(NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(COc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)O[*:1] O=C(NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(cc1)C[*:1]
O=C(NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(COc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] O=C(NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(cc1)CO[*:1]
O=C(NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(COc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)OC[*:1] O=C(NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(cc1)[*:1]
O=C(NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(COc2ccc(Cl)cc2)cc1 O=[N+]([O-])[*:1] O=C(NNC(=O)[C@@H]1C[C@H]1[*:1])c1ccc(cc1)COc1ccc(Cl)cc1
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)Cc1cc(no1)[*:1]
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=S(=O)(N1CCN(CC1)Cc1cc(no1)-c1ccccc1)[*:1]
C[C@H](CC(=O)[O-])N1C(=O)CCCC1=O O=C([O-])[*:1] C[C@H](C[*:1])N1C(=O)CCCC1=O
C[C@H](CC(=O)[O-])N1C(=O)CCCC1=O O=C([O-])C[*:1] C[C@H](N1C(=O)CCCC1=O)[*:1]
CCC[NH2+][C@H](Cc1ccccn1)C1(C)CCCC1 CC1(CCCC1)[*:1] CCC[NH2+][C@H](Cc1ccccn1)[*:1]
CCC[NH2+][C@H](Cc1ccccn1)C1(C)CCCC1 CCC[*:1] CC1(CCCC1)[C@@H](Cc1ccccn1)[NH2+][*:1]
CCC[NH2+][C@H](Cc1ccccn1)C1(C)CCCC1 c1ccc(nc1)[*:1] CCC[NH2+][C@H](C[*:1])C1(C)CCCC1
O=S(=O)(Cc1ccccc1)NCc1ccc(N2CCc3ccccc3C2)nc1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])NCc1ccc(nc1)N1CCc2ccccc2C1
O=S(=O)(Cc1ccccc1)NCc1ccc(N2CCc3ccccc3C2)nc1 c1ccc(cc1)C[*:1] O=S(=O)(NCc1ccc(nc1)N1CCc2ccccc2C1)[*:1]
O=C(C[n+]1ccc(-c2ccc(F)cc2)nc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(C[n+]1ccc(nc1)-c1ccc(F)cc1)[*:1]
O=C(C[n+]1ccc(-c2ccc(F)cc2)nc1)c1ccc(Br)cc1 Fc1ccc(cc1)[*:1] O=C(C[n+]1ccc(nc1)[*:1])c1ccc(Br)cc1
CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(cc1)-n1nc(C)cc1C)[*:1]
CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 Cc1cc(C)n(n1)[*:1] CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(cc1)[*:1])c1ccccc1
CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 CNC(=O)NC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)O[C@@H](c1ccccc1)[*:1]
CC[C@H](CSC)N(C)C(=O)c1ccc(NC(N)=O)cc1 CSC[*:1] CC[C@H](N(C)C(=O)c1ccc(cc1)NC(N)=O)[*:1]
CC[C@H](CSC)N(C)C(=O)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] CC[C@H](CSC)N(C)C(=O)c1ccc(cc1)[*:1]
C=C(C)C(=O)NCCCCl C=C(C)[*:1] O=C(NCCCCl)[*:1]
C=C(C)C(=O)NCCCCl ClCC[*:1] C=C(C)C(=O)NC[*:1]
O=C(NCCc1cccc(F)c1)C1(C[C@H]2CC(c3ccccc3)=NO2)CCOCC1 Fc1cccc(c1)[*:1] O=C(NCC[*:1])C1(CCOCC1)C[C@H]1CC(=NO1)c1ccccc1
O=C(NCCc1cccc(F)c1)C1(C[C@H]2CC(c3ccccc3)=NO2)CCOCC1 c1ccc(cc1)[*:1] O=C(NCCc1cccc(F)c1)C1(CCOCC1)C[C@H]1CC(=NO1)[*:1]
O=C(NCCc1cccc(F)c1)C1(C[C@H]2CC(c3ccccc3)=NO2)CCOCC1 Fc1cccc(c1)C[*:1] O=C(NC[*:1])C1(CCOCC1)C[C@H]1CC(=NO1)c1ccccc1
O=C(NCCc1cccc(F)c1)C1(C[C@H]2CC(c3ccccc3)=NO2)CCOCC1 Fc1cccc(c1)CC[*:1] O=C(N[*:1])C1(CCOCC1)C[C@H]1CC(=NO1)c1ccccc1
CCOc1ccccc1-c1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1 CCO[*:1] Clc1cccc(c1)N1CCN(CC1)Cc1nc(no1)-c1ccccc1[*:1]
CCOc1ccccc1-c1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1 Clc1cccc(c1)[*:1] CCOc1ccccc1-c1noc(CN2CCN(CC2)[*:1])n1
CCOc1ccccc1-c1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1 CCOc1ccccc1[*:1] Clc1cccc(c1)N1CCN(CC1)Cc1nc(no1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)NCc1cc(C#N)ccc1F Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)NCc1cc(C#N)ccc1F
CCn1c(CC[NH3+])nnc1Sc1cccc(F)c1C#N [NH3+]CC[*:1] CCn1c(nnc1[*:1])Sc1cccc(F)c1C#N
O=C([O-])[C@H](Cc1ccccc1Cl)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O Clc1ccccc1[*:1] O=C([O-])[C@H](C[*:1])S[C@H]1CC(=O)N(C1=O)c1ccc(Cl)cc1
O=C([O-])[C@H](Cc1ccccc1Cl)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O O=C([O-])[*:1] O=C1C[C@H](S[C@@H](Cc2ccccc2Cl)[*:1])C(=O)N1c1ccc(Cl)cc1
O=C([O-])[C@H](Cc1ccccc1Cl)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O Clc1ccccc1C[*:1] O=C([O-])[C@H](S[C@H]1CC(=O)N(C1=O)c1ccc(Cl)cc1)[*:1]
O=C([O-])[C@H](Cc1ccccc1Cl)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] O=C([O-])[C@H](Cc1ccccc1Cl)S[C@H]1CC(=O)N(C1=O)[*:1]
COC(=O)C[C@H]1CSCCN1Cc1cc(C)n(Cc2ccco2)c1C c1coc(c1)C[*:1] COC(=O)C[C@H]1CSCCN1Cc1cc(C)n(c1C)[*:1]
COC(=O)C[C@H]1CSCCN1Cc1cc(C)n(Cc2ccco2)c1C COC(=O)[*:1] Cc1cc(CN2CCSC[C@@H]2C[*:1])c(C)n1Cc1ccco1
COC(=O)C[C@H]1CSCCN1Cc1cc(C)n(Cc2ccco2)c1C COC(=O)C[*:1] Cc1cc(CN2CCSC[C@@H]2[*:1])c(C)n1Cc1ccco1
COC(=O)C[C@H]1CSCCN1Cc1cc(C)n(Cc2ccco2)c1C c1coc(c1)[*:1] COC(=O)C[C@H]1CSCCN1Cc1cc(C)n(C[*:1])c1C
Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC1CCCC1 FC(F)[*:1] Cc1nn(c(C)c1S(=O)(=O)NC1CCCC1)[*:1]
Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1nn(c(C)c1S(=O)(=O)N[*:1])C(F)F
CO[C@H](C)c1nc(C[S@](=O)Cc2cccnc2Cl)cs1 CO[C@H](C)[*:1] O=[S@@](Cc1csc(n1)[*:1])Cc1cccnc1Cl
CCOC(=O)C1(C)CCN(C(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2cccc(Cl)c2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)c1cccc(Cl)c1)[*:1]
Cc1ccc(C(C)C)c(OCCCn2cnc3ccccc32)c1 CC(C)[*:1] Cc1ccc(c(c1)OCCCn1cnc2ccccc21)[*:1]
CCCc1cc(NC2CCCCC2)n(C)n1 CCC[*:1] Cn1nc(cc1NC1CCCCC1)[*:1]
C[C@H]1CCC[C@H](C)[NH+]1[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)[NH+]1[C@@H](CNS(=O)(=O)[*:1])c1ccccc1
C[C@H]1CCC[C@H](C)[NH+]1[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)[NH+]1[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)[*:1]
c1ccc(-c2cc(Cn3nnc(-c4ccsc4)n3)no2)cc1 c1cc(cs1)[*:1] c1ccc(cc1)-c1cc(Cn2nnc(n2)[*:1])no1
c1ccc(-c2cc(Cn3nnc(-c4ccsc4)n3)no2)cc1 c1ccc(cc1)[*:1] c1cc(cs1)-c1nnn(Cc2cc(on2)[*:1])n1
CN(Cc1cccc(C(N)=O)c1)C(=O)[C@H]1SCCc2ccccc21 NC(=O)[*:1] CN(Cc1cccc(c1)[*:1])C(=O)[C@H]1SCCc2ccccc21
CN(CC(C)(C)O)C[C@@]1(C[NH3+])CCCOC1 CC(C)(O)C[*:1] CN(C[C@@]1(C[NH3+])CCCOC1)[*:1]
CN(CC(C)(C)O)C[C@@]1(C[NH3+])CCCOC1 CC(C)(O)[*:1] CN(C[C@@]1(C[NH3+])CCCOC1)C[*:1]
Cc1ccc([C@@H](NC(=O)Cc2csc(C)n2)c2cccnc2)c(C)c1 Cc1nc(cs1)[*:1] Cc1ccc(c(C)c1)[C@@H](NC(=O)C[*:1])c1cccnc1
Cc1ccc([C@@H](NC(=O)Cc2csc(C)n2)c2cccnc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nc(cs1)CC(=O)N[C@@H](c1cccnc1)[*:1]
Cc1ccc([C@@H](NC(=O)Cc2csc(C)n2)c2cccnc2)c(C)c1 Cc1nc(cs1)C[*:1] Cc1ccc(c(C)c1)[C@@H](NC(=O)[*:1])c1cccnc1
Cc1ccc([C@@H](NC(=O)Cc2csc(C)n2)c2cccnc2)c(C)c1 c1cncc(c1)[*:1] Cc1ccc(c(C)c1)[C@@H](NC(=O)Cc1csc(C)n1)[*:1]
Cn1cc(C(=O)NCc2cc(Cl)ccc2OC(F)F)c(C(C)(C)C)n1 FC(F)[*:1] Cn1cc(C(=O)NCc2cc(Cl)ccc2O[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)NCc2cc(Cl)ccc2OC(F)F)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)NCc2cc(Cl)ccc2OC(F)F)c(n1)[*:1]
Cn1cc(C(=O)NCc2cc(Cl)ccc2OC(F)F)c(C(C)(C)C)n1 FC(F)O[*:1] Cn1cc(C(=O)NCc2cc(Cl)ccc2[*:1])c(n1)C(C)(C)C
C[C@@H]1CCN(C(=O)CC2(O)CCCCC2)[C@H]2CCCC[C@@H]21 OC1(CCCCC1)[*:1] C[C@@H]1CCN(C(=O)C[*:1])[C@H]2CCCC[C@@H]21
COc1ccc([C@H]2CCCN2C(=O)CCn2cnc3c(C)cccc3c2=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)N1CCC[C@@H]1[*:1]
CCOCCN(C)C(=O)C(=O)Nc1ccc2oc(CC)nc2c1 CCO[*:1] CCc1nc2cc(ccc2o1)NC(=O)C(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)C(=O)Nc1ccc2oc(CC)nc2c1 CCOC[*:1] CCc1nc2cc(ccc2o1)NC(=O)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)C(=O)Nc1ccc2oc(CC)nc2c1 CCOCC[*:1] CCc1nc2cc(ccc2o1)NC(=O)C(=O)N(C)[*:1]
NC(=S)c1cn[nH]c1NC(=O)c1ccc(OC(F)F)cc1 NC(=S)[*:1] O=C(Nc1[nH]ncc1[*:1])c1ccc(cc1)OC(F)F
NC(=S)c1cn[nH]c1NC(=O)c1ccc(OC(F)F)cc1 FC(F)O[*:1] NC(=S)c1cn[nH]c1NC(=O)c1ccc(cc1)[*:1]
NC(=S)c1cn[nH]c1NC(=O)c1ccc(OC(F)F)cc1 FC(F)[*:1] NC(=S)c1cn[nH]c1NC(=O)c1ccc(cc1)O[*:1]
Cc1ccc([C@]2(C)Nc3ccccc3C(=O)N2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)N1C(=O)c2ccccc2N[C@]1(C)[*:1]
Cc1ccc([C@]2(C)Nc3ccccc3C(=O)N2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@]1(C)Nc2ccccc2C(=O)N1[*:1]
COC(=O)c1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)s1 COC(=O)[*:1] C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc(s1)[*:1]
O=C([O-])c1ccc(OCc2sccc2Br)cn1 O=C([O-])[*:1] Brc1ccsc1COc1ccc(nc1)[*:1]
Br[C@H](Cc1ccc2ccccc2n1)[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] Br[C@H](Cc1ccc2ccccc2n1)[*:1]
Cc1nnc(S[C@H]2CCCc3ccccc32)n1CC(N)=O NC(=O)[*:1] Cc1nnc(S[C@H]2CCCc3ccccc32)n1C[*:1]
Cc1nnc(S[C@H]2CCCc3ccccc32)n1CC(N)=O NC(=O)C[*:1] Cc1nnc(S[C@H]2CCCc3ccccc32)n1[*:1]
C[C@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C1 c1cc(ccn1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1cc(nc2ccccc12)[*:1]
Cc1n[nH]c(-c2cccc(CN[C@@H](C)c3sc(C(C)(C)C)nc3C)c2)n1 Cc1n[nH]c(n1)[*:1] Cc1nc(sc1[C@H](C)NCc1cccc(c1)[*:1])C(C)(C)C
Cc1n[nH]c(-c2cccc(CN[C@@H](C)c3sc(C(C)(C)C)nc3C)c2)n1 CC(C)(C)[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CN[C@@H](C)c1sc(nc1C)[*:1]
COc1ccccc1C(=O)N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1 Clc1ccc(cc1)[*:1] COc1ccccc1C(=O)N([C@H]1C=CS(=O)(=O)C1)[*:1]
COc1ccccc1C(=O)N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1 COc1ccccc1[*:1] O=C(N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1)[*:1]
CC(C)S(=O)(=O)/N=C(\[O-])c1cc(F)c(F)c(F)c1 CC(C)[*:1] O=S(=O)(/N=C(\[O-])c1cc(F)c(F)c(F)c1)[*:1]
O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(OC[C@@H]2CCCO2)cc1 c1coc(c1)[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc(cc1)OC[C@@H]1CCCO1
O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)CO[*:1] O=C(Cc1csc(n1)-c1ccco1)Nc1ccc(cc1)[*:1]
N#Cc1nnn(-c2ccc(F)cc2)c1-c1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] N#Cc1nnn(c1-c1ccc2OCOc2c1)[*:1]
CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 CCC[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)[*:1]
CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CCOc1ccc2c(C(=O)Nc3cnn(Cc4cccc(C)c4)c3)cc(=O)oc2c1 Cc1cccc(c1)C[*:1] CCOc1ccc2c(cc(=O)oc2c1)C(=O)Nc1cnn(c1)[*:1]
CCOc1ccc2c(C(=O)Nc3cnn(Cc4cccc(C)c4)c3)cc(=O)oc2c1 Cc1cccc(c1)[*:1] CCOc1ccc2c(cc(=O)oc2c1)C(=O)Nc1cnn(c1)C[*:1]
CCOc1ccc2c(C(=O)Nc3cnn(Cc4cccc(C)c4)c3)cc(=O)oc2c1 CCO[*:1] Cc1cccc(c1)Cn1cc(cn1)NC(=O)c1cc(=O)oc2cc(ccc12)[*:1]
O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N(CCO)CC1CC1 C1CC1C[*:1] O=C(c1ccn(n1)-c1ccc(Cl)cc1Cl)N(CCO)[*:1]
O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N(CCO)CC1CC1 OCC[*:1] O=C(c1ccn(n1)-c1ccc(Cl)cc1Cl)N(CC1CC1)[*:1]
O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N(CCO)CC1CC1 C1CC1[*:1] O=C(c1ccn(n1)-c1ccc(Cl)cc1Cl)N(CCO)C[*:1]
O=C(NCCN1CCOCC1)c1ccc(CSc2ncn[nH]2)cc1 C1CN(CCO1)CC[*:1] O=C(N[*:1])c1ccc(cc1)CSc1ncn[nH]1
O=C(NCCN1CCOCC1)c1ccc(CSc2ncn[nH]2)cc1 C1CN(CCO1)[*:1] O=C(NCC[*:1])c1ccc(cc1)CSc1ncn[nH]1
O=C(NCCN1CCOCC1)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)S[*:1] O=C(NCCN1CCOCC1)c1ccc(cc1)C[*:1]
O=C(NCCN1CCOCC1)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)[*:1] O=C(NCCN1CCOCC1)c1ccc(cc1)CS[*:1]
O=C(NCCN1CCOCC1)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)SC[*:1] O=C(NCCN1CCOCC1)c1ccc(cc1)[*:1]
O=C(NCCN1CCOCC1)c1ccc(CSc2ncn[nH]2)cc1 C1CN(CCO1)C[*:1] O=C(NC[*:1])c1ccc(cc1)CSc1ncn[nH]1
O=C(COc1cccc(Cl)c1)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 Clc1cccc(c1)O[*:1] O=C(C[*:1])NN=Cc1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(COc1cccc(Cl)c1)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(COc1cccc(Cl)c1)NN=Cc1ccc(Cl)c(c1)[*:1]
O=C(COc1cccc(Cl)c1)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 Clc1cccc(c1)[*:1] O=C(CO[*:1])NN=Cc1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sc3ccccc3c21)NC1CCCCC1 Clc1ccc(cc1)[*:1] O=C(Cn1c(=O)n(c(=O)c2sc3ccccc3c21)[*:1])NC1CCCCC1
O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sc3ccccc3c21)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sc3ccccc3c21)N[*:1]
O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sc3ccccc3c21)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=c1c2sc3ccccc3c2n(C[*:1])c(=O)n1-c1ccc(Cl)cc1
O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sc3ccccc3c21)NC1CCCCC1 O=C(C[*:1])NC1CCCCC1 O=c1c2sc3ccccc3c2n(c(=O)n1-c1ccc(Cl)cc1)[*:1]
OC1(CN(Cc2ccccc2)Cc2cnc(-c3ccccn3)s2)CCOCC1 c1ccc(cc1)[*:1] OC1(CCOCC1)CN(Cc1cnc(s1)-c1ccccn1)C[*:1]
OC1(CN(Cc2ccccc2)Cc2cnc(-c3ccccn3)s2)CCOCC1 OC1(CCOCC1)[*:1] c1ccc(cc1)CN(Cc1cnc(s1)-c1ccccn1)C[*:1]
OC1(CN(Cc2ccccc2)Cc2cnc(-c3ccccn3)s2)CCOCC1 c1ccc(cc1)C[*:1] OC1(CCOCC1)CN(Cc1cnc(s1)-c1ccccn1)[*:1]
OC1(CN(Cc2ccccc2)Cc2cnc(-c3ccccn3)s2)CCOCC1 c1ccc(nc1)[*:1] OC1(CCOCC1)CN(Cc1ccccc1)Cc1cnc(s1)[*:1]
OC1(CN(Cc2ccccc2)Cc2cnc(-c3ccccn3)s2)CCOCC1 OC1(CCOCC1)C[*:1] c1ccc(cc1)CN(Cc1cnc(s1)-c1ccccn1)[*:1]
COc1c(Cl)cccc1NC(=O)C(=O)N(C)Cc1ncnn1C Cn1ncnc1C[*:1] COc1c(Cl)cccc1NC(=O)C(=O)N(C)[*:1]
COc1c(Cl)cccc1NC(=O)C(=O)N(C)Cc1ncnn1C Cn1ncnc1[*:1] COc1c(Cl)cccc1NC(=O)C(=O)N(C)C[*:1]
O=C(N/N=C/c1ccc2ccccc2n1)c1ccccc1O Oc1ccccc1[*:1] O=C(N/N=C/c1ccc2ccccc2n1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N(C(=O)CC)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)N(C(=O)CC)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N(C(=O)CC)c2ccccc2)cc1 CCC(=O)N[*:1] CCC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(cc1)[*:1]
C#CCN1C(=O)[C@]2(CC(O)=Nc3[nH]ncc32)c2ccccc21 C#CC[*:1] O=C1N(c2ccccc2[C@@]12CC(O)=Nc1[nH]ncc12)[*:1]
COc1ccccc1/C=C/C(=O)Nc1cc(N2CCOC2=O)ccc1C O=C1OCCN1[*:1] COc1ccccc1/C=C/C(=O)Nc1cc(ccc1C)[*:1]
COc1ccccc1/C=C/C(=O)Nc1cc(N2CCOC2=O)ccc1C COc1ccccc1[*:1] Cc1ccc(cc1NC(=O)C=C[*:1])N1CCOC1=O
C[C@@H](O)c1cccc(OCC(=O)NC2(c3ccccc3)CCC2)c1 c1ccc(cc1)[*:1] C[C@@H](O)c1cccc(c1)OCC(=O)NC1(CCC1)[*:1]
C[C@@H](O)c1cccc(OCC(=O)NC2(c3ccccc3)CCC2)c1 C[C@@H](O)[*:1] O=C(COc1cccc(c1)[*:1])NC1(CCC1)c1ccccc1
COc1ccc(F)c(C(=O)NCCc2ccc[nH]2)c1F c1c[nH]c(c1)[*:1] COc1ccc(F)c(C(=O)NCC[*:1])c1F
COc1ccc(F)c(C(=O)NCCc2ccc[nH]2)c1F c1c[nH]c(c1)C[*:1] COc1ccc(F)c(C(=O)NC[*:1])c1F
COc1ccc(NC(=O)C(=O)NCCc2ccc(C)cc2C)c(Cl)c1 Cc1ccc(c(C)c1)[*:1] COc1ccc(NC(=O)C(=O)NCC[*:1])c(Cl)c1
C[NH+](C)C[C@H](NC(=O)c1nc(C2CC2)n2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)C[C@H](NC(=O)c1nc(C2CC2)n2ccccc12)[*:1]
C[NH+](C)C[C@H](NC(=O)c1nc(C2CC2)n2ccccc12)c1ccccc1 C1CC1[*:1] C[NH+](C)C[C@H](NC(=O)c1nc(n2ccccc12)[*:1])c1ccccc1
CC[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)COC)C1 COC[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)N[C@@H](C)[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)COC)C1 COC[C@H](C)[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)N[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)Oc1ccc(C(=O)N3CCCC3)cc1)C2 O=C(N1CCCC1)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)Oc1ccc(cc1)[*:1]
COC(=O)c1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 COC(=O)[*:1] C(=N/Nc1nc(nc(n1)N1CCCCC1)N1CCCCC1)\c1ccc(cc1)[*:1]
COC(=O)c1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 C1CCN(CC1)[*:1] COC(=O)c1ccc(/C=N/Nc2nc(nc(n2)[*:1])N2CCCCC2)cc1
COC(=O)c1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 COC(=O)c1ccc(cc1)[*:1] C(=NNc1nc(nc(n1)N1CCCCC1)N1CCCCC1)[*:1]
Cc1cc(OCC[NH3+])cc(C)c1Cl [NH3+]CCO[*:1] Cc1cc(cc(C)c1Cl)[*:1]
Cc1cc(OCC[NH3+])cc(C)c1Cl [NH3+]CC[*:1] Cc1cc(cc(C)c1Cl)O[*:1]
C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccncc1Cl c1coc(c1)[*:1] C[NH+](Cc1ccccc1CNC(=O)c1ccncc1Cl)C[*:1]
C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccncc1Cl Clc1cnccc1[*:1] C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[*:1]
C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccncc1Cl c1coc(c1)C[*:1] C[NH+](Cc1ccccc1CNC(=O)c1ccncc1Cl)[*:1]
COC(=O)/C=C1/S[C@H](N/N=C/c2ccc(N(C)C)cc2)NC1=O COC(=O)[*:1] CN(C)c1ccc(/C=N/N[C@@H]2NC(=O)C(=C[*:1])S2)cc1
COC(=O)/C=C1/S[C@H](N/N=C/c2ccc(N(C)C)cc2)NC1=O CN(C)[*:1] COC(=O)/C=C1/S[C@H](N/N=C/c2ccc(cc2)[*:1])NC1=O
C[NH+]1CCN(CCCCNC(=O)CN2CCCOC2=O)CC1 O=C1OCCCN1[*:1] C[NH+]1CCN(CCCCNC(=O)C[*:1])CC1
COC(=O)c1cc(C)ccc1NC(=O)[C@H]1CC[C@@H](C[NH3+])O1 COC(=O)[*:1] Cc1ccc(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)c(c1)[*:1]
CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cc(Cl)ccc1Cl
CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccncc1 Clc1ccc(Cl)c(c1)[*:1] CCn1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
N#C/C(=C\c1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@@H]1[NH+]=c2cc(Br)cnc2=[NH+]1 O=C([O-])c1ccc(cc1)[*:1] N#C/C(=C\c1ccc(o1)[*:1])[C@@H]1[NH+]=c2cc(Br)cnc2=[NH+]1
N#C/C(=C\c1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@@H]1[NH+]=c2cc(Br)cnc2=[NH+]1 O=C([O-])[*:1] N#C/C(=C\c1ccc(o1)-c1ccc(cc1)[*:1])[C@@H]1[NH+]=c2cc(Br)cnc2=[NH+]1
C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 C(#C[*:1])c1ccccc1 C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(C#C[*:1])c1
CC(C)c1ccccc1NC(=O)C(=O)N1CCC[C@@H](O)C1 CC(C)[*:1] O=C(Nc1ccccc1[*:1])C(=O)N1CCC[C@@H](O)C1
Cc1ccc(CC(=O)Nc2nnc(Cc3ccccc3)o2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CC(=O)Nc1nnc(C[*:1])o1
Cc1ccc(CC(=O)Nc2nnc(Cc3ccccc3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])Nc1nnc(Cc2ccccc2)o1
Cc1ccc(CC(=O)Nc2nnc(Cc3ccccc3)o2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)CC(=O)Nc1nnc(o1)[*:1]
COCCN1C[C@H](C(=O)NCc2cscn2)CC1=O c1nc(cs1)[*:1] COCCN1C[C@@H](CC1=O)C(=O)NC[*:1]
COCCN1C[C@H](C(=O)NCc2cscn2)CC1=O c1nc(cs1)C[*:1] COCCN1C[C@@H](CC1=O)C(=O)N[*:1]
COCCN1C[C@H](C(=O)NCc2cscn2)CC1=O COC[*:1] O=C(NCc1cscn1)[C@@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@H](C(=O)NCc2cscn2)CC1=O COCC[*:1] O=C(NCc1cscn1)[C@@H]1CC(=O)N(C1)[*:1]
CCCn1nccc1C(=O)C(CC)(CC)[NH+]1CCCC1 CCC[*:1] CCC(CC)(C(=O)c1ccnn1[*:1])[NH+]1CCCC1
Cc1cc(C)cc(NC(=O)CSCC2=NC(=O)C3=C4CCC[C@H]4SC3=N2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CSCC1=NC(=O)C2C(=N1)S[C@@H]1CCCC=21)N[*:1]
C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)C1=O c1ccc2sc(nc2c1)[*:1] C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)N2CCC(CC2)[*:1])C1=O
C=CCNc1nnc(SC[C@H](O)c2cccc(Cl)c2)s1 C=CCN[*:1] O[C@@H](CSc1nnc(s1)[*:1])c1cccc(Cl)c1
C=CCNc1nnc(SC[C@H](O)c2cccc(Cl)c2)s1 C=CC[*:1] O[C@@H](CSc1nnc(N[*:1])s1)c1cccc(Cl)c1
Nn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1Br O=[N+]([O-])[*:1] Nn1c(nnc1-c1ccccc1Br)SCC(=O)Nc1cccc(c1)[*:1]
Nn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1Br Brc1ccccc1[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1cccc(c1)[N+](=O)[O-]
Nn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1Br O=[N+]([O-])c1cccc(c1)[*:1] Nn1c(nnc1-c1ccccc1Br)SCC(=O)N[*:1]
CC(C)N1CCC[C@@]2(CCN(C(=O)c3ccc4c(c3)CCCN4)C2)C1=O CC(C)[*:1] O=C(c1ccc2NCCCc2c1)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
CC(=O)N1CCC[C@H](c2cc(NCCO)nc(C)[nH+]2)C1 OCC[*:1] CC(=O)N1CCC[C@@H](C1)c1cc(nc(C)[nH+]1)N[*:1]
CC(=O)N1CCC[C@H](c2cc(NCCO)nc(C)[nH+]2)C1 OCCN[*:1] CC(=O)N1CCC[C@@H](C1)c1cc(nc(C)[nH+]1)[*:1]
C#C[C@H](OC(=O)c1ccc(OC(C)C)nc1)C1CC1 C1CC1[*:1] C#C[C@H](OC(=O)c1ccc(nc1)OC(C)C)[*:1]
C#C[C@H](OC(=O)c1ccc(OC(C)C)nc1)C1CC1 CC(C)[*:1] C#C[C@H](OC(=O)c1ccc(nc1)O[*:1])C1CC1
C#C[C@H](OC(=O)c1ccc(OC(C)C)nc1)C1CC1 CC(C)O[*:1] C#C[C@H](OC(=O)c1ccc(nc1)[*:1])C1CC1
Cc1cc(OCC(=O)Nc2ccccc2Cl)cc(C)c1Br Clc1ccccc1[*:1] Cc1cc(cc(C)c1Br)OCC(=O)N[*:1]
C[C@@H]1SCCN(c2ccc(OC(F)F)cn2)[C@@H]1C FC(F)O[*:1] C[C@@H]1SCCN(c2ccc(cn2)[*:1])[C@@H]1C
C[C@@H]1SCCN(c2ccc(OC(F)F)cn2)[C@@H]1C FC(F)[*:1] C[C@@H]1SCCN(c2ccc(cn2)O[*:1])[C@@H]1C
COc1ccc(C(=O)/C=C/c2csc(-c3cccs3)n2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)C(=O)/C=C/c1csc(n1)[*:1]
CCc1n[nH]c(SCC(=O)N(C)c2nc3ccccc3s2)n1 CCc1n[nH]c(n1)[*:1] CN(C(=O)CS[*:1])c1nc2ccccc2s1
CC(=O)Oc1ccc2c3c(ccc(C(C)=O)c13)CC2 CC(=O)O[*:1] CC(=O)c1ccc2CCc3ccc(c1c23)[*:1]
CC(=O)Oc1ccc2c3c(ccc(C(C)=O)c13)CC2 CC(=O)[*:1] CC(=O)Oc1ccc2CCc3ccc(c1c23)[*:1]
CN(C)C(=O)c1cccc(NC(=O)c2cnc(-c3ccccc3)nc2)n1 CN(C)C(=O)[*:1] O=C(Nc1cccc(n1)[*:1])c1cnc(nc1)-c1ccccc1
CN(C)C(=O)c1cccc(NC(=O)c2cnc(-c3ccccc3)nc2)n1 c1ccc(cc1)[*:1] CN(C)C(=O)c1cccc(n1)NC(=O)c1cnc(nc1)[*:1]
COc1ccc(F)c(-c2nc(COc3ccc(C(N)=O)cc3)c(C)o2)c1 NC(=O)[*:1] COc1ccc(F)c(c1)-c1nc(COc2ccc(cc2)[*:1])c(C)o1
COc1cc(NC(=O)NCCS(=O)(=O)N2CCCC2)c2ncccc2c1 O=S(=O)(N1CCCC1)[*:1] COc1cc(NC(=O)NCC[*:1])c2ncccc2c1
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H]3CO[C@H](c4ccco4)O[C@H]3[C@H](O)[C@@H]2O)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O[C@@H]1[C@@H](O[C@H]2CO[C@@H](O[C@H]2[C@@H]1O)c1ccco1)O[*:1]
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H]3CO[C@H](c4ccco4)O[C@H]3[C@H](O)[C@@H]2O)cc1 c1coc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)O[C@@H]1O[C@H]2CO[C@H](O[C@H]2[C@H](O)[C@@H]1O)[*:1]
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H]3CO[C@H](c4ccco4)O[C@H]3[C@H](O)[C@@H]2O)cc1 O=[N+]([O-])[*:1] O[C@@H]1[C@H](Oc2ccc(cc2)[*:1])O[C@H]2CO[C@@H](O[C@H]2[C@@H]1O)c1ccco1
CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(Br)cc1 CCS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccc(Br)cc1
CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(Br)cc1 CCS(=O)(=O)C[*:1] C[C@H](N(C)C(=O)c1ccc(Br)cc1)[*:1]
Cc1ccc(CN(c2ccc(C(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)N(C[*:1])c1ccc(cc1)C(=O)N1CCCCC1
Cc1ccc(CN(c2ccc(C(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 Cc1ccc(cc1)C[*:1] CS(=O)(=O)N(c1ccc(cc1)C(=O)N1CCCCC1)[*:1]
Cc1ccc(CN(c2ccc(C(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)CN(c1ccc(cc1)[*:1])S(C)(=O)=O
O=C(c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(c1ccc(cc1)/N=C1\N[C@H]2CS(=O)(=O)C[C@@H]2S1)N1CCN(CC1)C(=O)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC#Cc1ccccc1 CC[C@H](C)NC(=O)[*:1] C[C@@H](NC(=O)NCC#Cc1ccccc1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC#Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC#C[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC#Cc1ccccc1 CC[C@H](C)[*:1] C[C@@H](NC(=O)NCC#Cc1ccccc1)C(=O)N[*:1]
NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)c2ccccc21 NC(=O)[*:1] O=S(=O)(c1ccc(F)c(F)c1)N1C[C@@H](c2ccccc21)[*:1]
COCc1nc(CN2CCOC[C@@H]2C2CC2)cs1 C1CC1[*:1] COCc1nc(cs1)CN1CCOC[C@H]1[*:1]
COCc1nc(CN2CCOC[C@@H]2C2CC2)cs1 COC[*:1] c1sc(nc1CN1CCOC[C@@H]1C1CC1)[*:1]
CCCc1nc(C)c(C(=O)NCCNC(=O)c2cccs2)s1 CCC[*:1] Cc1nc(sc1C(=O)NCCNC(=O)c1cccs1)[*:1]
CCCc1nc(C)c(C(=O)NCCNC(=O)c2cccs2)s1 c1csc(c1)[*:1] CCCc1nc(C)c(s1)C(=O)NCCNC(=O)[*:1]
O=C(CCSc1ccc(F)cc1)NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CCSc1ccc(F)cc1)NNC(=O)[C@@H]1C[C@H]1[*:1]
O=C(CCSc1ccc(F)cc1)NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] Fc1ccc(cc1)[*:1] O=C(CCS[*:1])NNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]
C[C@@H]1CCC[C@@H]1NC(=O)c1cn(C)nc1-c1cccs1 C[C@@H]1CCC[C@H]1[*:1] Cn1cc(C(=O)N[*:1])c(n1)-c1cccs1
C[C@@H]1CCC[C@@H]1NC(=O)c1cn(C)nc1-c1cccs1 c1csc(c1)[*:1] C[C@@H]1CCC[C@@H]1NC(=O)c1cn(C)nc1[*:1]
CCCC(=O)N1CCc2[nH]nc(C(=O)NCc3ccc4c(c3)OCO4)c2C1 CCC[*:1] O=C(NCc1ccc2OCOc2c1)c1n[nH]c2CCN(Cc12)C(=O)[*:1]
CCCC(=O)N1CCc2[nH]nc(C(=O)NCc3ccc4c(c3)OCO4)c2C1 c1cc2OCOc2cc1[*:1] CCCC(=O)N1CCc2[nH]nc(C(=O)NC[*:1])c2C1
O=C(CSc1nnc2sc3ccccc3n12)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(CSc1nnc2sc3ccccc3n12)N[*:1]
CC[C@H](C)[C@H](O)C[NH2+]Cc1ncc(-c2ccccc2)s1 CC[C@H](C)[*:1] O[C@H](C[NH2+]Cc1ncc(s1)-c1ccccc1)[*:1]
CC[C@H](C)[C@H](O)C[NH2+]Cc1ncc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](O)C[NH2+]Cc1ncc(s1)[*:1]
CCCCC(=O)Nc1cccc(N2CCCC2=O)c1 CCCC[*:1] O=C1CCCN1c1cccc(c1)NC(=O)[*:1]
CCCCC(=O)Nc1cccc(N2CCCC2=O)c1 CCC[*:1] O=C(C[*:1])Nc1cccc(c1)N1CCCC1=O
CCCCC(=O)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] CCCCC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cc2cccc(Cl)c2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cc1cccc(Cl)c1)NCCNS(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NCCNC(=O)C[*:1]
Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cc2cccc(Cl)c2)c1 Clc1cccc(c1)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NCCNC(=O)[*:1]
NC(=O)c1cc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)ccc1F NC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])NC1(CC1)c1ccc(Cl)cc1
NC(=O)c1cc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)ccc1F Clc1ccc(cc1)[*:1] NC(=O)c1cc(ccc1F)NC(=O)NC1(CC1)[*:1]
CCc1c(C)nn([C@@H](C)C(=O)NN)c1C NNC(=O)[*:1] CCc1c(C)nn(c1C)[C@@H](C)[*:1]
O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 Clc1cccc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1C(=O)N1CCCCC1
O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 Clc1cccc(c1)C[*:1] O=C(Nc1ccccc1C(=O)N1CCCCC1)C(=O)N[*:1]
O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccccc1[*:1]
Cc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 CN(C)C(=O)C[*:1] Cc1ccc(cc1)N(S(=O)(=O)c1ccc(F)cc1)[*:1]
Cc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)N(CC(=O)N(C)C)S(=O)(=O)[*:1]
Cc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)N(C[*:1])S(=O)(=O)c1ccc(F)cc1
Cc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] CN(C)C(=O)CN(S(=O)(=O)c1ccc(F)cc1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1CSc1nc2ccc([N+](=O)[O-])cc2[nH]1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H]1CSc1nc2ccc(cc2[nH]1)[N+](=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@H]1CSc1nc2ccc([N+](=O)[O-])cc2[nH]1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1CSc1nc2ccc(cc2[nH]1)[*:1]
CCO[C@@H](CC)C(=O)NC[C@@](C)(O)c1ccc(F)cc1F CCO[*:1] CC[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1F)[*:1]
CCO[C@@H](CC)C(=O)NC[C@@](C)(O)c1ccc(F)cc1F CCO[C@@H](CC)[*:1] C[C@@](O)(CNC(=O)[*:1])c1ccc(F)cc1F
COc1ccc(C(=O)OCC(=O)C(C)(C)C)c(OC)c1 CC(C)(C)[*:1] COc1ccc(C(=O)OCC(=O)[*:1])c(c1)OC
COc1ccc(C(=O)OCC(=O)C(C)(C)C)c(OC)c1 CC(C)(C)C(=O)[*:1] COc1ccc(C(=O)OC[*:1])c(c1)OC
O=[N+]([O-])c1ccc(-c2nc(N3CCc4ccccc4C3)cs2)cc1 O=[N+]([O-])[*:1] c1ccc2CN(CCc2c1)c1csc(n1)-c1ccc(cc1)[*:1]
CS[C@@H]1CC[C@H](NC(=O)c2cc(C)ccc2N2CCCC2)C1 C1CCN(C1)[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)c1cc(C)ccc1[*:1]
C[C@@H]1CCCN(C(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)C1 c1csc(c1)[*:1] C[C@@H]1CCCN(C1)C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
C[C@@H]1CCCN(C(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)CSc1nnc(-c2cccs2)n1[*:1]
C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 C[C@@H]1CCCN(C1)C(=O)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc2ccccc2c1
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1nc2ccccc2[nH]1 Fc1cccc(F)c1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)Nc1nc2ccccc2[nH]1
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1nc2ccccc2[nH]1 CC(C)[*:1] O=C(N[C@@H](C(=O)Nc1nc2ccccc2[nH]1)[*:1])c1c(F)cccc1F
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[*:1]
COc1ccc([C@@H](NC(=O)Cc2ccc(C)s2)C2CCOCC2)cc1 Cc1ccc(s1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)C[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)Cc2ccc(C)s2)C2CCOCC2)cc1 Cc1ccc(C[*:1])s1 COc1ccc(cc1)[C@@H](NC(=O)[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)Cc2ccc(C)s2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(CC(=O)N[C@@H](C2CCOCC2)[*:1])s1
COc1ccc([C@@H](NC(=O)Cc2ccc(C)s2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)Cc1ccc(C)s1)[*:1]
COc1ccc(C)cc1[C@@H](C)[C@@H](C)Br C[C@@H](Br)[*:1] COc1ccc(C)cc1[C@@H](C)[*:1]
CCn1nccc1[C@H]([NH3+])C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] CCn1nccc1[C@H]([NH3+])C(C)(C)[*:1]
[O-]c1nc(-c2ccncc2)nc2c1C[NH+](Cc1ccncc1)CC2 c1cc(ccn1)[*:1] [O-]c1nc(nc2CC[NH+](Cc12)C[*:1])-c1ccncc1
[O-]c1nc(-c2ccncc2)nc2c1C[NH+](Cc1ccncc1)CC2 c1cc(ccn1)[*:1] [O-]c1nc(nc2CC[NH+](Cc3ccncc3)Cc12)[*:1]
[O-]c1nc(-c2ccncc2)nc2c1C[NH+](Cc1ccncc1)CC2 c1cc(ccn1)C[*:1] [O-]c1nc(nc2CC[NH+](Cc12)[*:1])-c1ccncc1
Cc1noc(C)c1[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O Cc1noc(C)c1[*:1] C[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)[*:1]
CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc(C(N)=O)cs1 NC(=O)[*:1] CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc(cs1)[*:1]
CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc(C(N)=O)cs1 CC(=O)N[*:1] NC(=O)c1csc(c1)C(=O)Nc1ccc(Cl)cc1[*:1]
Cn1cnc(CNC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)n1 Brc1cccc(c1)[*:1] Cn1cnc(CNC(=O)NC[C@@H]2CCN(C2)[*:1])n1
Cn1cnc(CNC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)n1 Cn1cnc(C[*:1])n1 O=C(NC[C@@H]1CCN(C1)c1cccc(Br)c1)N[*:1]
Cn1cnc(CNC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)n1 Cn1cnc(n1)[*:1] O=C(NC[C@@H]1CCN(C1)c1cccc(Br)c1)NC[*:1]
O=C(CNC(=O)Nc1ccn(Cc2ccccc2)n1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NC[*:1])Nc1ccn(Cc2ccccc2)n1
O=C(CNC(=O)Nc1ccn(Cc2ccccc2)n1)NC1CC1 c1ccc(cc1)[*:1] O=C(CNC(=O)Nc1ccn(C[*:1])n1)NC1CC1
O=C(CNC(=O)Nc1ccn(Cc2ccccc2)n1)NC1CC1 c1ccc(cc1)C[*:1] O=C(CNC(=O)Nc1ccn(n1)[*:1])NC1CC1
O=C(CNC(=O)Nc1ccn(Cc2ccccc2)n1)NC1CC1 C1CC1[*:1] O=C(CNC(=O)Nc1ccn(Cc2ccccc2)n1)N[*:1]
O=C(CNC(=O)Nc1ccn(Cc2ccccc2)n1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Nc1ccn(Cc2ccccc2)n1)N[*:1]
COCC[NH+]1CCN(C(=O)c2cn(CCc3ccccc3)nn2)CC1 COC[*:1] O=C(c1cn(CCc2ccccc2)nn1)N1CC[NH+](CC1)C[*:1]
COCC[NH+]1CCN(C(=O)c2cn(CCc3ccccc3)nn2)CC1 COCC[*:1] O=C(c1cn(CCc2ccccc2)nn1)N1CC[NH+](CC1)[*:1]
COCC[NH+]1CCN(C(=O)c2cn(CCc3ccccc3)nn2)CC1 c1ccc(cc1)CC[*:1] COCC[NH+]1CCN(CC1)C(=O)c1cn(nn1)[*:1]
COCC[NH+]1CCN(C(=O)c2cn(CCc3ccccc3)nn2)CC1 c1ccc(cc1)C[*:1] COCC[NH+]1CCN(CC1)C(=O)c1cn(C[*:1])nn1
COCC[NH+]1CCN(C(=O)c2cn(CCc3ccccc3)nn2)CC1 c1ccc(cc1)[*:1] COCC[NH+]1CCN(CC1)C(=O)c1cn(CC[*:1])nn1
CCc1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1 O=[N+]([O-])[*:1] CCc1nc(COc2cccc(c2)[*:1])n[nH]1
Cc1n[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 O=C([O-])[*:1] Cc1n[nH]c(n1)C(=O)N[C@@H](CC(C)C)[*:1]
Cc1n[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 CC(C)C[*:1] Cc1n[nH]c(n1)C(=O)N[C@@H](C(=O)[O-])[*:1]
Cc1n[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 CC(C)[*:1] Cc1n[nH]c(n1)C(=O)N[C@@H](C[*:1])C(=O)[O-]
C1CC[C@@H]([C@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCO2)[NH2+]C1 C1CO[C@@H](C1)[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@@H]1[NH2+]C[*:1]
C1CC[C@@H]([C@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCO2)[NH2+]C1 C1CO[C@@H](C1)C[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@@H]1[NH2+][*:1]
O=S(=O)(CCCF)/N=C(\[O-])CSc1ccc(F)cc1 FCC[*:1] O=S(=O)(C[*:1])/N=C(\[O-])CSc1ccc(F)cc1
O=S(=O)(CCCF)/N=C(\[O-])CSc1ccc(F)cc1 FCCC[*:1] O=S(=O)(/N=C(\[O-])CSc1ccc(F)cc1)[*:1]
COc1ccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])C[NH2+]C(C)(C)c1nc(C)c(C)s1
COc1ccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])C[NH2+]C(C)(C)c1nc(C)c(C)s1
COc1ccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1OC(F)F Cc1nc(sc1C)[*:1] COc1ccc(cc1OC(F)F)C[NH2+]C(C)(C)[*:1]
C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCNC(=O)C3)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1C[C@@H](C)CN(C1)c1ccc(cc1[*:1])C(=O)N1CCNC(=O)C1
COC(=O)Cn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc3c(cc21)OCCO3 COC(=O)[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)/N=c1\sc2cc3OCCOc3cc2n1C[*:1]
COC(=O)Cn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc3c(cc21)OCCO3 COC(=O)C[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)/N=c1\sc2cc3OCCOc3cc2n1[*:1]
O=C(Nc1ccccc1-c1ccccc1)N(Cc1ccco1)C[C@@H]1CCCO1 c1coc(c1)C[*:1] O=C(Nc1ccccc1-c1ccccc1)N(C[C@@H]1CCCO1)[*:1]
O=C(Nc1ccccc1-c1ccccc1)N(Cc1ccco1)C[C@@H]1CCCO1 c1coc(c1)[*:1] O=C(Nc1ccccc1-c1ccccc1)N(C[C@@H]1CCCO1)C[*:1]
O=C(Nc1ccccc1-c1ccccc1)N(Cc1ccco1)C[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1[*:1])N(Cc1ccco1)C[C@@H]1CCCO1
Cc1cc(F)ccc1NC(=O)CNc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(F)ccc1NC(=O)CNc1ccccc1[*:1]
C[NH+](C)C1(CNC(=O)N[C@@H]2C[C@@H]2c2ccccc2F)CCOCC1 Fc1ccccc1[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)N[C@@H]1C[C@H]1[*:1]
C[C@@H](NC(=O)[C@@H]1CCCS1)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCS1)c1ccc(cc1)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)C[NH+]2CCC(C)CC2)c1 CCCC(=O)N[*:1] CC1CC[NH+](CC1)CC(=O)NCc1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)C[NH+]2CCC(C)CC2)c1 CCC[*:1] CC1CC[NH+](CC1)CC(=O)NCc1cccc(c1)NC(=O)[*:1]
C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2ccco2)CC1 c1coc(c1)[*:1] C[NH+]1CCC(CC1)N(Cc1ccco1)C(=O)NC[*:1]
C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2ccco2)CC1 c1coc(c1)C[*:1] C[NH+]1CCC(CC1)N(C(=O)NCc1ccco1)[*:1]
C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2ccco2)CC1 c1coc(c1)[*:1] C[NH+]1CCC(CC1)N(C[*:1])C(=O)NCc1ccco1
C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2ccco2)CC1 c1coc(c1)C[*:1] C[NH+]1CCC(CC1)N(Cc1ccco1)C(=O)N[*:1]
CCOC(=O)C1(C)CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)C1C2CC3CC(C2)CC1C3)[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)N(C)c3ccc(C)cc3)ccc21 Cc1ccc(cc1)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N(C)[*:1]
Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3cnn4c3N[C@@H](C)C[C@@H]4C(F)(F)F)C[C@H]21 FC(F)(F)[*:1] Cc1nc2c(CC[C@@H]3CN(C[C@H]23)C(=O)c2cnn3c2N[C@@H](C)C[C@H]3[*:1])c(=O)[nH]1
CC(=O)NCc1ccc(C(=O)CSc2cc(Cl)ccc2Cl)s1 CC(=O)N[*:1] O=C(CSc1cc(Cl)ccc1Cl)c1ccc(C[*:1])s1
CC(=O)NCc1ccc(C(=O)CSc2cc(Cl)ccc2Cl)s1 CC(=O)NC[*:1] O=C(CSc1cc(Cl)ccc1Cl)c1ccc(s1)[*:1]
Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]32)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1cc(ccc1[*:1])C(=O)N1CC[C@@H]2CCCC[C@H]21
CCOC(=O)c1c(/C=C/C(=O)N(C)C2(C#N)CCC2)c(C)n(CC)c1C CCOC(=O)[*:1] CCn1c(C)c(/C=C/C(=O)N(C)C2(C#N)CCC2)c(c1C)[*:1]
CCOC(=O)c1c(/C=C/C(=O)N(C)C2(C#N)CCC2)c(C)n(CC)c1C N#CC1(CCC1)[*:1] CCOC(=O)c1c(/C=C/C(=O)N(C)[*:1])c(C)n(CC)c1C
CC(C)[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2)CCC(=O)N1CC1CC1 C1CC1[*:1] CC(C)[C@@H]1CN(CCC(=O)N1C[*:1])C(=O)NCc1ccc(Cl)cc1
CC(C)[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2)CCC(=O)N1CC1CC1 C1CC1C[*:1] CC(C)[C@@H]1CN(CCC(=O)N1[*:1])C(=O)NCc1ccc(Cl)cc1
CC(C)[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2)CCC(=O)N1CC1CC1 CC(C)[*:1] O=C(NCc1ccc(Cl)cc1)N1CCC(=O)N(CC2CC2)[C@@H](C1)[*:1]
CC(C)[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2)CCC(=O)N1CC1CC1 Clc1ccc(cc1)C[*:1] CC(C)[C@@H]1CN(CCC(=O)N1CC1CC1)C(=O)N[*:1]
CC(C)[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2)CCC(=O)N1CC1CC1 Clc1ccc(cc1)[*:1] CC(C)[C@@H]1CN(CCC(=O)N1CC1CC1)C(=O)NC[*:1]
C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)Sc1ccccc1 C[C@H](Sc1ccccc1)[*:1] OC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc21)N[*:1]
C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)Sc1ccccc1 c1ccc(cc1)S[*:1] C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)[*:1]
C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)S[*:1]
COc1ccccc1-n1nc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2c1=O FC(F)(F)c1ccccc1[*:1] COc1ccccc1-n1nc(C(=O)N[*:1])c2ccccc2c1=O
COc1ccccc1-n1nc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2c1=O COc1ccccc1[*:1] O=C(Nc1ccccc1C(F)(F)F)c1nn(c(=O)c2ccccc12)[*:1]
COc1ccccc1-n1nc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2c1=O FC(F)(F)[*:1] COc1ccccc1-n1nc(C(=O)Nc2ccccc2[*:1])c2ccccc2c1=O
Cc1cc(COC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)on1 Cc1cc(on1)[*:1] O=C(OC[*:1])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1
Cc1cc(COC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)on1 Cc1cc(C[*:1])on1 O=C(O[*:1])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1
Cc1cc(COC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)on1 Clc1cccc(c1)[*:1] Cc1cc(COC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[*:1])on1
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] O=C(NNc1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)S[*:1]
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(SC(F)F)cc1 O=[N+]([O-])[*:1] O=C(NNc1cccc(c1)[*:1])Nc1ccc(cc1)SC(F)F
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] O=C(NNc1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
CC[C@H](C)Nc1ncnc(N[C@H](C)c2ccccc2)c1[N+](=O)[O-] CC[C@H](C)N[*:1] C[C@@H](Nc1ncnc(c1[N+](=O)[O-])[*:1])c1ccccc1
CC[C@H](C)Nc1ncnc(N[C@H](C)c2ccccc2)c1[N+](=O)[O-] CC[C@H](C)[*:1] C[C@@H](Nc1ncnc(N[*:1])c1[N+](=O)[O-])c1ccccc1
CC[C@H](C)Nc1ncnc(N[C@H](C)c2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H](C)Nc1ncnc(N[C@H](C)c2ccccc2)c1[*:1]
CC[C@H](C)Nc1ncnc(N[C@H](C)c2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CC[C@H](C)Nc1ncnc(N[C@H](C)[*:1])c1[N+](=O)[O-]
COc1cccc(CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)CN(C)C(=O)NCc1ccc(cc1)[*:1]
COc1cccc(CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 COc1cccc(c1)[*:1] CN(C[*:1])C(=O)NCc1ccc(cc1)[N+](=O)[O-]
CC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O Cc1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(S(C)(=O)=O)[*:1]
CC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O Clc1ccc(Cl)c(c1)[*:1] CC[C@@H](C(=O)N[*:1])N(c1ccc(C)cc1)S(C)(=O)=O
CCCc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1 CCC[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(s1)[*:1]
Cc1nc(C)c(CNC(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)s1 Cc1nc(C)c(s1)[*:1] Cc1ccccc1[C@@H]1CN(C(=O)NC[*:1])[C@@H](C)CO1
Cc1nc(C)c(CNC(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)s1 Cc1ccccc1[*:1] Cc1nc(C)c(CNC(=O)N2C[C@@H](OC[C@@H]2C)[*:1])s1
Cc1nc(C)c(CNC(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)s1 Cc1nc(C)c(C[*:1])s1 Cc1ccccc1[C@@H]1CN(C(=O)N[*:1])[C@@H](C)CO1
COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 CC(C)c1ccccc1[*:1] COc1ccc(cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)N[*:1]
COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 CC(C)[*:1] COc1ccc(cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)Nc1ccccc1[*:1]
CC[NH+](CC)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[NH+](CC)[C@@H](C(=O)NC1CCCCC1)[*:1]
CC[NH+](CC)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 C1CCC(CC1)[*:1] CC[NH+](CC)[C@@H](C(=O)N[*:1])c1ccc(C)cc1
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Br)o1)CC2)c1cccs1 Brc1ccc(o1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])c1cccs1
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Br)o1)CC2)c1cccs1 O=C(N[*:1])c1cccs1 O=C(c1ccc(Br)o1)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Br)o1)CC2)c1cccs1 c1csc(c1)[*:1] O=C(c1ccc(Br)o1)N1CCc2nc(NC(=O)[*:1])sc2C1
CC(C)S(=O)(=O)c1cccc(-c2nnc(NC(=O)[C@H]3Oc4ccccc4O[C@H]3C)o2)c1 CC(C)[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nnc(o1)-c1cccc(c1)S(=O)(=O)[*:1]
CC(C)S(=O)(=O)c1cccc(-c2nnc(NC(=O)[C@H]3Oc4ccccc4O[C@H]3C)o2)c1 CC(C)S(=O)(=O)[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nnc(o1)-c1cccc(c1)[*:1]
Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2ncccn12 Cc1cccc(C)c1[*:1] Oc1ccc(cc1)-c1nc2ncccn2c1N[*:1]
Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2ncccn12 Oc1ccc(cc1)[*:1] Cc1cccc(C)c1Nc1c(nc2ncccn12)[*:1]
CN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(-c2nccs2)cc1 c1csc(n1)[*:1] CN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(-c2nccs2)cc1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)C(=O)Nc1ccc(cc1)-c1nccs1
CN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(-c2nccs2)cc1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)C(=O)Nc1ccc(cc1)-c1nccs1
CN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(-c2nccs2)cc1 c1ccc(CC[*:1])nc1 CN(C(=O)C(=O)Nc1ccc(cc1)-c1nccs1)[*:1]
C[C@H]1C[C@H](C)CN(C(=O)CCNC(=O)c2ccco2)C1 c1coc(c1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CCNC(=O)[*:1]
Cc1ccc(-c2noc(-c3ccc(NC[C@@H]4CCCO4)nc3)n2)cc1 Cc1ccc(cc1)[*:1] c1cc(ncc1-c1nc(no1)[*:1])NC[C@@H]1CCCO1
CC[C@H](C)Oc1ccc([C@]2(CC)Nc3ccccc3C(=O)N2CC)cc1 CC[C@H](C)O[*:1] CCN1C(=O)c2ccccc2N[C@@]1(CC)c1ccc(cc1)[*:1]
CC[C@H](C)Oc1ccc([C@]2(CC)Nc3ccccc3C(=O)N2CC)cc1 CC[C@H](C)[*:1] CCN1C(=O)c2ccccc2N[C@@]1(CC)c1ccc(cc1)O[*:1]
CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2ccncc2)cc1 CCc1ccc(cc1)[*:1] O=C(NCc1ccncc1)c1ccsc1NC(=O)[*:1]
CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2ccncc2)cc1 c1cc(ccn1)[*:1] CCc1ccc(cc1)C(=O)Nc1sccc1C(=O)NC[*:1]
CCc1ccc(C(=O)Nc2sccc2C(=O)NCc2ccncc2)cc1 c1cc(ccn1)C[*:1] CCc1ccc(cc1)C(=O)Nc1sccc1C(=O)N[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc2c(c1O)OC(C)(C)C2 c1ncn(n1)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)c1ccc2CC(C)(C)Oc2c1O
NC(=O)[C@H]1CN(Cn2cnc3cc(F)c(F)cc32)CCO1 NC(=O)[*:1] Fc1cc2ncn(CN3CCO[C@H](C3)[*:1])c2cc1F
CC(C)CS(=O)(=O)Cc1cc(F)ccc1N CC(C)[*:1] Nc1ccc(F)cc1CS(=O)(=O)C[*:1]
CC(C)CS(=O)(=O)Cc1cc(F)ccc1N CC(C)C[*:1] Nc1ccc(F)cc1CS(=O)(=O)[*:1]
Nc1cccc2oc(NC[C@@H]3CCOC3)nc12 C1C[C@H](CO1)[*:1] Nc1cccc2oc(nc12)NC[*:1]
CC(C)C[C@](C)(O)CNC/C(Cl)=C/Cl CC(C)[*:1] C[C@@](O)(CNC/C(Cl)=C/Cl)C[*:1]
CC(C)C[C@](C)(O)CNC/C(Cl)=C/Cl CC(C)C[*:1] C[C@](O)(CNC/C(Cl)=C/Cl)[*:1]
CC(C)C[C@](C)(O)CNC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] CC(C)C[C@](C)(O)CNC[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N[C@@H](C)C2CC2)cc1 C[C@H](NC(=O)[*:1])C1CC1 CC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N[C@@H](C)C2CC2)cc1 C[C@@H](C1CC1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1C(=O)N[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N[C@@H](C)C2CC2)cc1 C1CC1[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N[C@@H](C)C2CC2)cc1 CC(=O)[*:1] C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1])C1CC1
c1cnn(CC2CCN(c3ccc(-c4nc(C5CC5)no4)cn3)CC2)c1 c1cnn(c1)C[*:1] c1cc(ncc1-c1nc(no1)C1CC1)N1CCC(CC1)[*:1]
c1cnn(CC2CCN(c3ccc(-c4nc(C5CC5)no4)cn3)CC2)c1 c1cnn(c1)[*:1] c1cc(ncc1-c1nc(no1)C1CC1)N1CCC(CC1)C[*:1]
c1cnn(CC2CCN(c3ccc(-c4nc(C5CC5)no4)cn3)CC2)c1 C1CC1[*:1] c1cnn(c1)CC1CCN(CC1)c1ccc(cn1)-c1nc(no1)[*:1]
c1cnn(CC2CCN(c3ccc(-c4nc(C5CC5)no4)cn3)CC2)c1 C1CC1c1noc(n1)[*:1] c1cnn(c1)CC1CCN(CC1)c1ccc(cn1)[*:1]
C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cccc(F)c1 C1CC1[*:1] C[C@@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])c1cccc(F)c1
C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](NC(=O)[C@H]1CC(=O)N(C1)C1CC1)[*:1]
C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)[*:1]
C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cccn1 FC(F)(F)[*:1] C[C@@H](CC(=O)Nc1ccc(Cl)c(c1)[*:1])n1cccn1
CC(C)c1nnc(NC(=O)NCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)s1 CC(C)[*:1] O=C(NCc1ccc(cc1)N1C(=O)c2ccccc2C1=O)Nc1nnc(s1)[*:1]
CC(C)c1nnc(NC(=O)NCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)s1 CC(C)c1nnc(s1)[*:1] O=C(NCc1ccc(cc1)N1C(=O)c2ccccc2C1=O)N[*:1]
CCOc1ccccc1NC(=O)c1ccccc1OCC CCO[*:1] CCOc1ccccc1NC(=O)c1ccccc1[*:1]
CCOc1ccccc1NC(=O)c1ccccc1OCC CCO[*:1] CCOc1ccccc1C(=O)Nc1ccccc1[*:1]
N#Cc1csc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c1 N#Cc1csc(c1)[*:1] O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)[*:1]
Cc1cn2c(=O)c(C(=O)N(C)C[C@H]3CCCO3)cnc2s1 C1CO[C@H](C1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N(C)C[*:1]
Cc1cn2c(=O)c(C(=O)N(C)C[C@H]3CCCO3)cnc2s1 C1CO[C@H](C1)C[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N(C)[*:1]
COC(=O)c1ccc(OC(=O)c2cc(SC)ccc2Cl)cc1 COC(=O)[*:1] CSc1ccc(Cl)c(c1)C(=O)Oc1ccc(cc1)[*:1]
Cc1cc(F)c(N)cc1S(=O)(=O)NCCc1ncn[nH]1 c1n[nH]c(n1)[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)NCC[*:1]
Cc1cc(F)c(N)cc1S(=O)(=O)NCCc1ncn[nH]1 c1n[nH]c(C[*:1])n1 Cc1cc(F)c(N)cc1S(=O)(=O)NC[*:1]
CS(=O)(=O)c1ccc(C2CC([O-])C2)cc1 [O-]C1CC(C1)[*:1] CS(=O)(=O)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(C2CC([O-])C2)cc1 CS(=O)(=O)[*:1] [O-]C1CC(C1)c1ccc(cc1)[*:1]
CC(C)N(CCS(C)(=O)=O)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 CS(=O)(=O)C[*:1] CC(C)N(C[*:1])C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21
CC(C)N(CCS(C)(=O)=O)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 CC(C)[*:1] CC1(C)CC[C@@H](CNC(=O)N(CCS(C)(=O)=O)[*:1])c2ccccc21
CC(C)N(CCS(C)(=O)=O)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 CS(=O)(=O)[*:1] CC(C)N(CC[*:1])C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21
CC(C)N(CCS(C)(=O)=O)C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 CS(=O)(=O)CC[*:1] CC(C)N(C(=O)NC[C@@H]1CCC(C)(C)c2ccccc21)[*:1]
CCN(Cc1ccccc1NCC(=O)Nc1ccc(Cl)cc1C)C(C)=O Cc1cc(Cl)ccc1[*:1] CCN(Cc1ccccc1NCC(=O)N[*:1])C(C)=O
CCN(Cc1ccccc1NCC(=O)Nc1ccc(Cl)cc1C)C(C)=O CCN(C(C)=O)[*:1] Cc1cc(Cl)ccc1NC(=O)CNc1ccccc1C[*:1]
CCN(Cc1ccccc1NCC(=O)Nc1ccc(Cl)cc1C)C(C)=O CCN(C[*:1])C(C)=O Cc1cc(Cl)ccc1NC(=O)CNc1ccccc1[*:1]
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc2c(c1)OCO2 Clc1ccc(cc1)C[*:1] C[C@@H](N(C)C(=O)Nc1ccc2OCOc2c1)[*:1]
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] C[C@@H](C[*:1])N(C)C(=O)Nc1ccc2OCOc2c1
O=C(NCCCO)[C@@H]1CCC[NH2+]1 OCCC[*:1] O=C(N[*:1])[C@@H]1CCC[NH2+]1
O=C(NCCCO)[C@@H]1CCC[NH2+]1 OCC[*:1] O=C(NC[*:1])[C@@H]1CCC[NH2+]1
Cc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1F Cc1ccc(cc1F)[*:1] O=C(CN1CCN(CC1)C(=O)NC[*:1])N1CCCC1
Cc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1F O=C(C[*:1])N1CCCC1 Cc1ccc(cc1F)CNC(=O)N1CCN(CC1)[*:1]
Cc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1F O=C(N1CCCC1)[*:1] Cc1ccc(cc1F)CNC(=O)N1CCN(CC1)C[*:1]
Cc1ccc(NC(=O)C(C)(C)C)c(F)c1 CC(C)(C)[*:1] Cc1ccc(NC(=O)[*:1])c(F)c1
C[C@@H](C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)C1CC1 C[C@@H](C1CC1)[*:1] O=C1NC(=O)[C@@H](Cc2ccc(cc2)NC(=O)[*:1])N1
C[C@@H](C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)C1CC1 C1CC1[*:1] C[C@@H](C(=O)Nc1ccc(cc1)C[C@H]1NC(=O)NC1=O)[*:1]
C[C@@H](C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)C1CC1 O=C1NC(=O)[C@H](N1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)C[*:1])C1CC1
CC(C)c1nnc(SCC(=O)Nc2ccccc2C(N)=O)n1C NC(=O)[*:1] CC(C)c1nnc(SCC(=O)Nc2ccccc2[*:1])n1C
CC(C)c1nnc(SCC(=O)Nc2ccccc2C(N)=O)n1C CC(C)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccccc1C(N)=O
CCOC(=O)c1sc(NC(=O)[C@@H]2CCO[C@@H]2C)cc1C CCOC(=O)[*:1] Cc1cc(NC(=O)[C@@H]2CCO[C@@H]2C)sc1[*:1]
CN(C)C(=O)CCNC(=O)NCc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] CN(C)C(=O)CCNC(=O)NCc1ccc(nc1)[*:1]
CN(C)C(=O)CCNC(=O)NCc1ccc(-n2ccnc2)nc1 CN(C)C(=O)C[*:1] O=C(NCc1ccc(nc1)-n1ccnc1)NC[*:1]
CN(C)C(=O)CCNC(=O)NCc1ccc(-n2ccnc2)nc1 CN(C)C(=O)CC[*:1] O=C(NCc1ccc(nc1)-n1ccnc1)N[*:1]
CN(C)C(=O)CCNC(=O)NCc1ccc(-n2ccnc2)nc1 CN(C)C(=O)[*:1] O=C(NCC[*:1])NCc1ccc(nc1)-n1ccnc1
CC(C)N(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F CC(C)[*:1] Cn1cc(cn1)CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[*:1]
CC(C)N(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(C)N(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[*:1]
CC(C)N(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F Cn1cc(cn1)[*:1] CC(C)N(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F
CC(C)N(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F Cn1cc(cn1)C[*:1] CC(C)N(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[*:1]
CON(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C)ccc2C)cc1 Cc1ccc(C)c(c1)[*:1] CON(C)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CON(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C)ccc2C)cc1 CON(C)S(=O)(=O)[*:1] Cc1ccc(C)c(c1)C(=O)Nc1ccc(cc1)[*:1]
CCc1cc(NCc2cccc(N(C)C)c2)nc(-c2ccncc2)n1 CN(C)[*:1] CCc1cc(nc(n1)-c1ccncc1)NCc1cccc(c1)[*:1]
CCc1cc(NCc2cccc(N(C)C)c2)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CCc1cc(nc(n1)[*:1])NCc1cccc(c1)N(C)C
CSc1nc([O-])c(C(=O)N[C@@H](C)c2ccccc2C)cc1C#N Cc1ccccc1[*:1] CSc1nc([O-])c(cc1C#N)C(=O)N[C@@H](C)[*:1]
Cc1c(OCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])OCC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C
Cc1c(NCC(=O)N[C@H](C)c2ccccc2)cccc1C(N)=O c1ccc(cc1)[*:1] Cc1c(cccc1C(N)=O)NCC(=O)N[C@H](C)[*:1]
Cc1c(NCC(=O)N[C@H](C)c2ccccc2)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NCC(=O)N[C@H](C)c1ccccc1
CCC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Sc2ccc(Cl)cc2)C1 CCC[*:1] O=C([O-])[C@@]1(CC[C@H](C1)Sc1ccc(Cl)cc1)[NH2+][*:1]
CCC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Sc2ccc(Cl)cc2)C1 O=C([O-])[*:1] CCC[NH2+][C@]1(CC[C@H](C1)Sc1ccc(Cl)cc1)[*:1]
NC(=O)NCCNC(=O)c1nc(C2CC2)n2ccccc12 NC(=O)N[*:1] O=C(NCC[*:1])c1nc(C2CC2)n2ccccc12
NC(=O)NCCNC(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] NC(=O)NCCNC(=O)c1nc(n2ccccc12)[*:1]
NC(=O)NCCNC(=O)c1nc(C2CC2)n2ccccc12 NC(=O)NCC[*:1] O=C(N[*:1])c1nc(C2CC2)n2ccccc12
NC(=O)NCCNC(=O)c1nc(C2CC2)n2ccccc12 NC(=O)NC[*:1] O=C(NC[*:1])c1nc(C2CC2)n2ccccc12
COc1cc(/C=C/C([O-])=N/c2nc(C)n[nH]2)ccc1OC(F)F FC(F)O[*:1] COc1cc(/C=C/C([O-])=N/c2nc(C)n[nH]2)ccc1[*:1]
COc1cc(/C=C/C([O-])=N/c2nc(C)n[nH]2)ccc1OC(F)F FC(F)[*:1] COc1cc(/C=C/C([O-])=N/c2nc(C)n[nH]2)ccc1O[*:1]
CN(C)C(=O)Sc1ccc(CNC2(C(N)=O)CCCC2)cc1 NC(=O)[*:1] CN(C)C(=O)Sc1ccc(cc1)CNC1(CCCC1)[*:1]
CN(C)C(=O)Sc1ccc(CNC2(C(N)=O)CCCC2)cc1 CN(C)C(=O)S[*:1] NC(=O)C1(CCCC1)NCc1ccc(cc1)[*:1]
Cc1ccc(C[NH+]2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(NCCC1=CCCCC1)C1CC[NH+](CC1)[*:1]
Cc1ccc(C[NH+]2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCC1=CCCCC1)C1CC[NH+](CC1)C[*:1]
O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CC(c1ccccc1)c1ccccc1)NC[*:1]
O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1Cl c1ccc(cc1)[*:1] O=C(CC(c1ccccc1)[*:1])NCc1ccccc1Cl
O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CC(c1ccccc1)c1ccccc1)N[*:1]
CN(CC1CC1)C(=O)CN1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] CN(CC1CC1)C(=O)CN1CCN(CC1)C(=O)[*:1]
CN(CC1CC1)C(=O)CN1CCN(C(=O)c2ccncc2)CC1 C1CC1[*:1] CN(C[*:1])C(=O)CN1CCN(CC1)C(=O)c1ccncc1
CN(CC1CC1)C(=O)CN1CCN(C(=O)c2ccncc2)CC1 C1CC1C[*:1] CN(C(=O)CN1CCN(CC1)C(=O)c1ccncc1)[*:1]
Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(N3C[C@@H](C)O[C@H](C)C3)nc12 c1ccc2sc(nc2c1)[*:1] Cc1cccn2c(=O)c(C=C(C#N)[*:1])c(nc12)N1C[C@@H](C)O[C@H](C)C1
N/C(CCCCNC(=O)N[C@@H]1CCOC1)=N/O N/C(=N/O)[*:1] O=C(NCCCC[*:1])N[C@@H]1CCOC1
N/C(CCCCNC(=O)N[C@@H]1CCOC1)=N/O N/C(C[*:1])=N/O O=C(NCCC[*:1])N[C@@H]1CCOC1
N/C(CCCCNC(=O)N[C@@H]1CCOC1)=N/O C1C[C@H](CO1)[*:1] N/C(CCCCNC(=O)N[*:1])=N/O
O=C(Oc1ccccc1)c1ccc(-n2cncn2)nc1 c1ncn(n1)[*:1] O=C(Oc1ccccc1)c1ccc(nc1)[*:1]
O=C(Oc1ccccc1)c1ccc(-n2cncn2)nc1 c1ccc(cc1)[*:1] O=C(O[*:1])c1ccc(nc1)-n1cncn1
Cc1ocnc1CNC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] Cc1ocnc1CNC(=O)N[C@H](C)c1cn(nn1)[*:1]
Cc1ocnc1CNC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 Cc1ocnc1[*:1] C[C@@H](NC(=O)NC[*:1])c1cn(nn1)-c1ccccc1
Cc1ocnc1CNC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 Cc1ocnc1C[*:1] C[C@@H](NC(=O)N[*:1])c1cn(nn1)-c1ccccc1
COc1cc(F)cc(CNC(=O)c2cc(C(C)=O)cn2C)c1 CC(=O)[*:1] COc1cc(F)cc(c1)CNC(=O)c1cc(cn1C)[*:1]
C[C@H]1CC(C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)C[C@H](C)O1 Clc1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCCCC[C@H]1[*:1]
COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)cc1F CC(=O)[*:1] COc1ccc(cc1F)[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
N#Cc1ccc(OC2CCC(NC(=O)c3cnoc3-c3ccccc3)CC2)nc1 c1ccc(cc1)[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)c1cnoc1[*:1]
N#Cc1ccc(OC2CCC(NC(=O)c3cnoc3-c3ccccc3)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(NC1CCC(CC1)O[*:1])c1cnoc1-c1ccccc1
N#Cc1ccc(OC2CCC(NC(=O)c3cnoc3-c3ccccc3)CC2)nc1 N#Cc1ccc(nc1)O[*:1] O=C(NC1CCC(CC1)[*:1])c1cnoc1-c1ccccc1
O=c1[nH]c(=O)n(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(C1CCCCC1)N2 c1ccc(cc1)[*:1] O=c1[nH]c(=O)n(c2NC(=NC(c21)(C(F)(F)F)C(F)(F)F)C1CCCCC1)[*:1]
O=c1[nH]c(=O)n(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(C1CCCCC1)N2 FC(F)(F)[*:1] O=c1[nH]c(=O)n(-c2ccccc2)c2NC(=NC(c21)(C(F)(F)F)[*:1])C1CCCCC1
O=c1[nH]c(=O)n(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(C1CCCCC1)N2 C1CCC(CC1)[*:1] O=c1[nH]c(=O)n(-c2ccccc2)c2NC(=NC(c21)(C(F)(F)F)C(F)(F)F)[*:1]
COc1ccc(Cl)cc1CN(C)Cc1nccn1C(F)F FC(F)[*:1] COc1ccc(Cl)cc1CN(C)Cc1nccn1[*:1]
CC(C)CCO[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 CC(C)[*:1] O=C(c1ccccc1)N1CCC(CC1)C(=O)N1CC[C@@H](C1)OCC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 CC(C)C[*:1] O=C(c1ccccc1)N1CCC(CC1)C(=O)N1CC[C@@H](C1)OC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 CC(C)CC[*:1] O=C(c1ccccc1)N1CCC(CC1)C(=O)N1CC[C@@H](C1)O[*:1]
CC(C)CCO[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 CC(C)CCO[*:1] O=C(c1ccccc1)N1CCC(CC1)C(=O)N1CC[C@@H](C1)[*:1]
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)NC[C@@H]1CCCO1 CC(C)(C)[*:1] Cn1nc(cc1C(=O)NNC(=O)NC[C@@H]1CCCO1)[*:1]
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cn1nc(cc1C(=O)NNC(=O)NC[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cn1nc(cc1C(=O)NNC(=O)N[*:1])C(C)(C)C
COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4CCC4)C3)C2=O)c1 COc1cccc(c1)[*:1] O=C(C1CCC1)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4CCC4)C3)C2=O)c1 C1CC(C1)[*:1] COc1cccc(c1)CN1CCC[C@@]2(CCN(C2)C(=O)[*:1])C1=O
Cc1cc(C(=O)Nc2ccc3c(C)n[nH]c3c2)no1 Cc1cc(no1)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[*:1]
c1cc(CN2CCSCC2)ncc1C[NH2+]C1CC1 C1CC1[*:1] c1cc(CN2CCSCC2)ncc1C[NH2+][*:1]
c1cc(CN2CCSCC2)ncc1C[NH2+]C1CC1 C1CN(CCS1)[*:1] c1cc(C[*:1])ncc1C[NH2+]C1CC1
CONC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 CONC(=O)[*:1] CN1C(=O)CC[C@@H]([C@@H]1c1ccc(cc1)C(F)(F)F)[*:1]
CONC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CONC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(cc1)[*:1]
C#CCN(CC#C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] C#CCN(CC#C)C(=O)CCc1ncc(o1)[*:1]
C#CCN(CC#C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 C#CC[*:1] C#CCN(C(=O)CCc1ncc(o1)-c1ccc(Cl)cc1)[*:1]
Cc1nnc(Cn2cnc(-c3ccccc3)c2-c2c(C)cccc2C)o1 Cc1nnc(C[*:1])o1 Cc1cccc(C)c1-c1c(ncn1[*:1])-c1ccccc1
Cc1nnc(Cn2cnc(-c3ccccc3)c2-c2c(C)cccc2C)o1 Cc1cccc(C)c1[*:1] Cc1nnc(Cn2cnc(-c3ccccc3)c2[*:1])o1
Cc1nnc(Cn2cnc(-c3ccccc3)c2-c2c(C)cccc2C)o1 c1ccc(cc1)[*:1] Cc1nnc(Cn2cnc(c2-c2c(C)cccc2C)[*:1])o1
Cc1nnc(Cn2cnc(-c3ccccc3)c2-c2c(C)cccc2C)o1 Cc1nnc(o1)[*:1] Cc1cccc(C)c1-c1c(ncn1C[*:1])-c1ccccc1
C[C@@H](Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)NC(=O)NC1CC1 C1CC1[*:1] C[C@@H](Nc1ccc(cc1)Oc1ccccc1Cl)C(=O)NC(=O)N[*:1]
C[C@@H](Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)NC(=O)NC1CC1 Clc1ccccc1[*:1] C[C@@H](Nc1ccc(cc1)O[*:1])C(=O)NC(=O)NC1CC1
C[C@@H](Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)NC(=O)NC1CC1 Clc1ccccc1O[*:1] C[C@@H](Nc1ccc(cc1)[*:1])C(=O)NC(=O)NC1CC1
C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)NCc1cccc2cccnc12 Clc1ccc(cc1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)NCc1cccc2cccnc12
C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)NCc1cccc2cccnc12 Clc1ccc(cc1)C[*:1] C[NH+](C)CCN(C(=O)NCc1cccc2cccnc12)[*:1]
CCc1ccc(C2=CCN(C(=O)c3cccc(OCC(N)=O)c3)CC2)cc1 NC(=O)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)c1cccc(c1)OC[*:1]
CCc1ccc(C2=CCN(C(=O)c3cccc(OCC(N)=O)c3)CC2)cc1 NC(=O)CO[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)c1cccc(c1)[*:1]
CCc1ccc(C2=CCN(C(=O)c3cccc(OCC(N)=O)c3)CC2)cc1 NC(=O)C[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)c1cccc(c1)O[*:1]
CCc1ccc(C2=CCN(C(=O)c3cccc(OCC(N)=O)c3)CC2)cc1 CCc1ccc(cc1)[*:1] NC(=O)COc1cccc(c1)C(=O)N1CC=C(CC1)[*:1]
Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4cccc(CO)n4)C3)nc12 OCc1cccc(n1)[*:1] Cc1cccc2[nH]c(nc12)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc2nc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 O=[N+]([O-])[*:1] Cc1ccc2nc([nH]c2c1)S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
O=C(Cc1cc(-c2ccccc2)on1)NCc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(Cc1cc(on1)[*:1])NCc1ccc2OCOc2c1
CC(=O)N(C)c1cccc(NC(=O)CCc2nc(C(C)C)no2)c1 CC(C)c1noc(n1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)CC[*:1]
CC(=O)N(C)c1cccc(NC(=O)CCc2nc(C(C)C)no2)c1 CC(C)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)CCc1nc(no1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)CCc2nc(C(C)C)no2)c1 CC(=O)N(C)[*:1] CC(C)c1noc(CCC(=O)Nc2cccc(c2)[*:1])n1
O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCC(c2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(c1cccc(c1)S(=O)(=O)NC[C@@H]1CCCO1)N1CCC(CC1)[*:1]
Cc1cc(C(=O)N2CCC(CNC(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)CC2)no1 Cc1cc(no1)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)NCC1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCC(CNC(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)CC2)no1 Cc1ccc(cc1C)[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(-c2nc(CSc3nc([O-])cc(-c4cccnc4)n3)c(C)o2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1oc(nc1CSc1nc([O-])cc(n1)-c1cccnc1)[*:1]
COc1ccc(-c2nc(CSc3nc([O-])cc(-c4cccnc4)n3)c(C)o2)c(OC)c1 c1cncc(c1)[*:1] COc1ccc(-c2nc(CSc3nc([O-])cc(n3)[*:1])c(C)o2)c(c1)OC
CC[C@H](C(=O)OC)N(C(=O)[C@H]1CCCS1)c1ccccc1 CC[C@H](C(=O)OC)[*:1] O=C([C@H]1CCCS1)N(c1ccccc1)[*:1]
CC[C@H](C(=O)OC)N(C(=O)[C@H]1CCCS1)c1ccccc1 COC(=O)[*:1] CC[C@H](N(C(=O)[C@H]1CCCS1)c1ccccc1)[*:1]
CC[C@H](C(=O)OC)N(C(=O)[C@H]1CCCS1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)OC)N(C(=O)[C@H]1CCCS1)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)Nc1cccc(CN2C[C@H](C)O[C@H](C)C2)c1 C[C@H]1CN(C[C@@H](C)O1)C[*:1] Cc1noc(C)c1[C@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)Nc1cccc(CN2C[C@H](C)O[C@H](C)C2)c1 Cc1noc(C)c1[*:1] C[C@H]1CN(Cc2cccc(c2)NC(=O)[C@@H](C)[*:1])C[C@@H](C)O1
N#Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] N#Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])CC[*:1]
N#Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCc2ccc(Cl)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])CCCc1ccc(Cl)cc1)[*:1]
N#Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])CCC[*:1]
CCC[NH+]1CCN(c2ccccc2CN2CC[NH+](C[C@H]3CCOC3)CC2)CC1 CCC[*:1] c1ccc(c(c1)CN1CC[NH+](CC1)C[C@H]1CCOC1)N1CC[NH+](CC1)[*:1]
O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccon1 c1cc(no1)[*:1] O=C(NCCc1ccc(Cl)cc1)C(=O)N[*:1]
CSCC[C@H](NC(=O)N[C@@H]1CCCCC1(C)C)C(=O)[O-] O=C([O-])[*:1] CSCC[C@H](NC(=O)N[C@@H]1CCCCC1(C)C)[*:1]
CSCC[C@H](NC(=O)N[C@@H]1CCCCC1(C)C)C(=O)[O-] CSCC[*:1] CC1(C)CCCC[C@H]1NC(=O)N[C@H](C(=O)[O-])[*:1]
CSCC[C@H](NC(=O)N[C@@H]1CCCCC1(C)C)C(=O)[O-] CSC[*:1] CC1(C)CCCC[C@H]1NC(=O)N[C@@H](C[*:1])C(=O)[O-]
CC[C@@H](c1ccccc1)c1nc2ccccc2n1C[C@H](O)CC c1ccc(cc1)[*:1] CC[C@@H](c1nc2ccccc2n1C[C@H](O)CC)[*:1]
CC[C@@H](c1ccccc1)c1nc2ccccc2n1C[C@H](O)CC CC[C@@H](O)[*:1] CC[C@@H](c1ccccc1)c1nc2ccccc2n1C[*:1]
CC[C@@H](c1ccccc1)c1nc2ccccc2n1C[C@H](O)CC CC[C@@H](O)C[*:1] CC[C@@H](c1ccccc1)c1nc2ccccc2n1[*:1]
CS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 CS(=O)(=O)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)cc1
CS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cccc([C@@H](C)CNC(=O)c2cnc3sccn3c2=O)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)c1cnc2sccn2c1=O)[*:1]
O=C(C[C@@H](O)c1ccccc1)N1CCN(Cc2cccc(O)c2)CC1 Oc1cccc(c1)[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCN(CC1)C[*:1]
O=C(C[C@@H](O)c1ccccc1)N1CCN(Cc2cccc(O)c2)CC1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N1CCN(CC1)Cc1cccc(O)c1
O=C(C[C@@H](O)c1ccccc1)N1CCN(Cc2cccc(O)c2)CC1 Oc1cccc(c1)C[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCN(CC1)[*:1]
O=C(C[C@@H](O)c1ccccc1)N1CCN(Cc2cccc(O)c2)CC1 O[C@@H](c1ccccc1)[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cccc(O)c1
O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)O[C@@H]1CCSC1 Clc1ccccc1[*:1] O=C(C[C@@H](NC(=O)[*:1])c1ccccc1)O[C@@H]1CCSC1
O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)O[C@@H]1CCSC1 c1ccc(cc1)[*:1] O=C(C[C@@H](NC(=O)c1ccccc1Cl)[*:1])O[C@@H]1CCSC1
CC(C)/C=C/C(=O)N1CCC(=O)N(Cc2cccc(F)c2)CC1 CC(C)[*:1] O=C(C=C[*:1])N1CCC(=O)N(CC1)Cc1cccc(F)c1
CC(C)/C=C/C(=O)N1CCC(=O)N(Cc2cccc(F)c2)CC1 CC(C)C=C[*:1] O=C1CCN(CCN1Cc1cccc(F)c1)C(=O)[*:1]
CC(C)/C=C/C(=O)N1CCC(=O)N(Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)/C=C/C(=O)N1CCC(=O)N(CC1)C[*:1]
C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1)CN1CCOCC1 C1CCC(C1)[*:1] C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1O[*:1])CN1CCOCC1
C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1)C[*:1]
C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1)CN1CCOCC1 C1CCC(C1)O[*:1] C[C@H](CNC(=O)N[C@H]1CCCC[C@H]1[*:1])CN1CCOCC1
O=C(CCc1cccc(F)c1)Nc1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] O=C(CCc1cccc(F)c1)Nc1ccc(nc1)[*:1]
O=C(CCc1cccc(F)c1)Nc1ccc(N2CCCC2)nc1 Fc1cccc(c1)[*:1] O=C(CC[*:1])Nc1ccc(nc1)N1CCCC1
C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[NH+](CC1)[*:1]
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)NC(=O)NC1CCCCC1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)NC(=O)NC1CCCCC1
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](Sc1nnc(o1)-c1ccccc1)C(=O)NC(=O)N[*:1]
COc1cccc(CC(=O)N2CCN(Cc3cn(C)nc3C(C)C)CC2)c1 CC(C)[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)Cc1cn(C)nc1[*:1]
COc1cccc(CC(=O)N2CCN(Cc3cn(C)nc3C(C)C)CC2)c1 COc1cccc(c1)[*:1] CC(C)c1nn(C)cc1CN1CCN(CC1)C(=O)C[*:1]
COc1cccc(CC(=O)N2CCN(Cc3cn(C)nc3C(C)C)CC2)c1 COc1cccc(c1)C[*:1] CC(C)c1nn(C)cc1CN1CCN(CC1)C(=O)[*:1]
COc1cccc(CC(=O)N2CCN(Cc3cn(C)nc3C(C)C)CC2)c1 CC(C)c1nn(C)cc1[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)C[*:1]
Cc1ccn2cc(-c3ccc(/C=N/NC(N)=[NH2+])cc3)[n+](C)c2c1 NC(=[NH2+])NN=C[*:1] Cc1ccn2cc(-c3ccc(cc3)[*:1])[n+](C)c2c1
[NH3+]C1(CC(=O)N2CCN(c3ccc(Br)cn3)CC2)CCC1 Brc1ccc(nc1)[*:1] [NH3+]C1(CCC1)CC(=O)N1CCN(CC1)[*:1]
C[C@@H](CC(=O)N(C)C[C@@H](O)C1CC1)c1cccc(C(F)(F)F)c1 O[C@@H](C1CC1)[*:1] C[C@@H](CC(=O)N(C)C[*:1])c1cccc(c1)C(F)(F)F
C[C@@H](CC(=O)N(C)C[C@@H](O)C1CC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](CC(=O)N(C)C[C@@H](O)C1CC1)c1cccc(c1)[*:1]
C[C@@H](CC(=O)N(C)C[C@@H](O)C1CC1)c1cccc(C(F)(F)F)c1 C1CC1[*:1] C[C@@H](CC(=O)N(C)C[C@@H](O)[*:1])c1cccc(c1)C(F)(F)F
C[C@@H](CC(=O)N(C)C[C@@H](O)C1CC1)c1cccc(C(F)(F)F)c1 O[C@H](C[*:1])C1CC1 C[C@@H](CC(=O)N(C)[*:1])c1cccc(c1)C(F)(F)F
Cc1cc(C)cc(NC(=O)CSCc2noc(Cc3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CSCc1noc(C[*:1])n1
Cc1cc(C)cc(NC(=O)CSCc2noc(Cc3ccccc3)n2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)CSCc1noc(n1)[*:1]
Cc1cc(C)cc(NC(=O)CSCc2noc(Cc3ccccc3)n2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CSCc1noc(Cc2ccccc2)n1)N[*:1]
CCCS(=O)(=O)N1CCC(COCc2ccc(C#N)cc2)CC1 CCC[*:1] N#Cc1ccc(cc1)COCC1CCN(CC1)S(=O)(=O)[*:1]
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccnc1C c1ccc(cc1)[*:1] CC[C@H]([C@@H]1CCCN1C(=O)Nc1cccnc1C)[*:1]
CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccnc1C Cc1ncccc1[*:1] CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[*:1]
CC(C)CN(C(=O)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 CC(C)C[*:1] O=C(C1CCCC1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)CN(C(=O)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=C(C1CCCC1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)CN(C(=O)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] CC(C)CN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
CNC(=O)Cc1csc(-c2cccc(Br)c2)n1 CNC(=O)[*:1] Brc1cccc(c1)-c1nc(cs1)C[*:1]
CNC(=O)Cc1csc(-c2cccc(Br)c2)n1 CNC(=O)C[*:1] Brc1cccc(c1)-c1nc(cs1)[*:1]
Cc1nc2ccccc2c2oc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc12 Clc1cccc(c1)[*:1] Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCN(CC1)[*:1]
Cc1ncccc1NC(=O)N1CCC[NH+](CC(=O)N(C)C)CC1 CN(C)C(=O)C[*:1] Cc1ncccc1NC(=O)N1CCC[NH+](CC1)[*:1]
Cc1ncccc1NC(=O)N1CCC[NH+](CC(=O)N(C)C)CC1 Cc1ncccc1[*:1] CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)N[*:1]
Cc1ncccc1NC(=O)N1CCC[NH+](CC(=O)N(C)C)CC1 CN(C)C(=O)[*:1] Cc1ncccc1NC(=O)N1CCC[NH+](CC1)C[*:1]
Cc1ccc(F)c(NC(=O)C(=O)N[C@H](C)c2nc(C)cs2)c1 Cc1csc(n1)[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)N[C@H](C)[*:1]
O=C([O-])c1cn2ccccc2n1 O=C([O-])[*:1] c1ccn2cc(nc2c1)[*:1]
COc1ccccc1CNC(=O)C(=O)c1ccc[nH]1 c1c[nH]c(c1)[*:1] COc1ccccc1CNC(=O)C(=O)[*:1]
O=C(C1=C([O-])C(=O)N(CCC2=c3ccccc3=[NH+]C2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=C1C([O-])=C([C@H](c2ccc(O)cc2)N1CCC1C[NH+]=c2ccccc2=1)[*:1]
O=C(C1=C([O-])C(=O)N(CCC2=c3ccccc3=[NH+]C2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 Oc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CCC2C[NH+]=c3ccccc3=2)[C@@H]1[*:1])c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(CCC2=c3ccccc3=[NH+]C2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(O)cc2)N1CCC1C[NH+]=c2ccccc2=1
O=C(/N=C1\N=N[C@H]([C@@H]2CCCO2)S1)c1ccccc1 c1ccc(cc1)[*:1] O=C(/N=C1\N=N[C@@H](S1)[C@@H]1CCCO1)[*:1]
O=C(/N=C1\N=N[C@H]([C@@H]2CCCO2)S1)c1ccccc1 C1CO[C@@H](C1)[*:1] O=C(/N=C1\N=N[C@H](S1)[*:1])c1ccccc1
O=C(c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2nccnc2c1 c1ccc(cc1)[*:1] O=C(N1N=C(C[C@H]1c1ccc2nccnc2c1)c1ccc(F)cc1)[*:1]
O=C(c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2nccnc2c1 c1cnc2cc(ccc2n1)[*:1] O=C(c1ccccc1)N1N=C(C[C@@H]1[*:1])c1ccc(F)cc1
O=C(c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2nccnc2c1 Fc1ccc(cc1)[*:1] O=C(c1ccccc1)N1N=C(C[C@H]1c1ccc2nccnc2c1)[*:1]
CN(C)C(=O)CNC(=O)N1CCCC[C@@H]1CN1CCOCC1 CN(C)C(=O)C[*:1] O=C(N[*:1])N1CCCC[C@@H]1CN1CCOCC1
CN(C)C(=O)CNC(=O)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] CN(C)C(=O)CNC(=O)N1CCCC[C@@H]1C[*:1]
CN(C)C(=O)CNC(=O)N1CCCC[C@@H]1CN1CCOCC1 CN(C)C(=O)[*:1] O=C(NC[*:1])N1CCCC[C@@H]1CN1CCOCC1
CN(C)C(=O)CNC(=O)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] CN(C)C(=O)CNC(=O)N1CCCC[C@H]1[*:1]
COC(=O)c1cncc(C(=O)Nc2cccc(COC(C)C)c2)c1 CC(C)OC[*:1] COC(=O)c1cncc(c1)C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1cncc(C(=O)Nc2cccc(COC(C)C)c2)c1 CC(C)[*:1] COC(=O)c1cncc(c1)C(=O)Nc1cccc(c1)CO[*:1]
COC(=O)c1cncc(C(=O)Nc2cccc(COC(C)C)c2)c1 COC(=O)[*:1] CC(C)OCc1cccc(c1)NC(=O)c1cncc(c1)[*:1]
COC(=O)c1cncc(C(=O)Nc2cccc(COC(C)C)c2)c1 CC(C)O[*:1] COC(=O)c1cncc(c1)C(=O)Nc1cccc(c1)C[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(N)=O CC[C@@H](C)[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(N)=O CC(C)(C)[*:1] CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)O[*:1])C(N)=O
CCCS(=O)(=O)/N=C(\[O-])[C@H](c1cccc(Cl)c1)C(C)C CC(C)[*:1] CCCS(=O)(=O)/N=C(\[O-])[C@H](c1cccc(Cl)c1)[*:1]
CCCS(=O)(=O)/N=C(\[O-])[C@H](c1cccc(Cl)c1)C(C)C CCC[*:1] CC(C)[C@H](/C([O-])=N/S(=O)(=O)[*:1])c1cccc(Cl)c1
CSCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(C)cc2)sc2c(C)cc(C)cc21 CSC[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)/N=c1\sc2c(C)cc(C)cc2n1C[*:1]
CSCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(C)cc2)sc2c(C)cc(C)cc21 Cc1ccc(cc1)[*:1] CSCCn1/c(=N/C(=O)CS(=O)(=O)[*:1])sc2c(C)cc(C)cc21
CSCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(C)cc2)sc2c(C)cc(C)cc21 CSCC[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)/N=c1\sc2c(C)cc(C)cc2n1[*:1]
C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1cccc(-n2cccn2)c1 O=[N+]([O-])[*:1] C[C@@H](Nc1ncc(c(N)n1)[*:1])c1cccc(c1)-n1cccn1
C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@@H](Nc1ncc(c(N)n1)[N+](=O)[O-])c1cccc(c1)[*:1]
O=S(=O)(/N=C(\[O-])CCCc1ccccc1)c1cccnc1 c1cncc(c1)[*:1] O=S(=O)(/N=C(\[O-])CCCc1ccccc1)[*:1]
O=S(=O)(/N=C(\[O-])CCCc1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])CCC[*:1])c1cccnc1
O=S(=O)(/N=C(\[O-])CCCc1ccccc1)c1cccnc1 c1ccc(cc1)C[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])c1cccnc1
COCC[NH2+][C@H](C)[C@H](C)Cc1nccs1 COC[*:1] C[C@H](Cc1nccs1)[C@@H](C)[NH2+]C[*:1]
COCC[NH2+][C@H](C)[C@H](C)Cc1nccs1 c1csc(n1)[*:1] COCC[NH2+][C@H](C)[C@H](C)C[*:1]
COCC[NH2+][C@H](C)[C@H](C)Cc1nccs1 COCC[*:1] C[C@H](Cc1nccs1)[C@@H](C)[NH2+][*:1]
O=C(NCCc1ccc(F)cc1)N(Cc1ccc(O)cc1)C1CC1 Oc1ccc(cc1)[*:1] O=C(NCCc1ccc(F)cc1)N(C[*:1])C1CC1
O=C(NCCc1ccc(F)cc1)N(Cc1ccc(O)cc1)C1CC1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])N(Cc1ccc(O)cc1)C1CC1
O=C(NCCc1ccc(F)cc1)N(Cc1ccc(O)cc1)C1CC1 C1CC1[*:1] O=C(NCCc1ccc(F)cc1)N(Cc1ccc(O)cc1)[*:1]
O=C(NCCc1ccc(F)cc1)N(Cc1ccc(O)cc1)C1CC1 Oc1ccc(cc1)C[*:1] O=C(NCCc1ccc(F)cc1)N(C1CC1)[*:1]
O=C(NCCc1ccc(F)cc1)N(Cc1ccc(O)cc1)C1CC1 Fc1ccc(cc1)C[*:1] O=C(NC[*:1])N(Cc1ccc(O)cc1)C1CC1
Cc1nc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(C)s1 CN(C)S(=O)(=O)[*:1] Cc1nc(C[NH2+][C@@H](C)c2cccc(c2)[*:1])c(C)s1
Cc1nc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(C)s1 Cc1nc(c(C)s1)[*:1] C[C@H]([NH2+]C[*:1])c1cccc(c1)S(=O)(=O)N(C)C
Cc1cc([C@@H](C)NC(=O)Nc2cc(N3CCCC3=O)ccc2F)c(C)s1 O=C1CCCN1[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)Nc1cc(ccc1F)[*:1]
Cc1cc([C@@H](C)NC(=O)Nc2cc(N3CCCC3=O)ccc2F)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H](NC(=O)Nc1cc(ccc1F)N1CCCC1=O)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCCc2ccc(F)cc2F)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)NCCc1ccc(F)cc1F
CC(=O)Nc1c(C)cc(NC(=O)NCCc2ccc(F)cc2F)cc1C Fc1ccc(c(F)c1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)NCC[*:1]
COc1ccc(CCn2cnc3c([nH]c4ccc(OC)cc43)c2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc2[nH]c3c(=O)n(cnc3c2c1)CC[*:1]
CCNc1cc2c([nH+]n1)CCN(C(=O)c1c(C)noc1C)C2 CCN[*:1] Cc1noc(C)c1C(=O)N1CCc2[nH+]nc(cc2C1)[*:1]
CCNc1cc2c([nH+]n1)CCN(C(=O)c1c(C)noc1C)C2 Cc1noc(C)c1[*:1] CCNc1cc2CN(CCc2[nH+]n1)C(=O)[*:1]
Cc1noc(CSc2nc(C3CC3)nc3ccccc23)n1 C1CC1[*:1] Cc1noc(CSc2nc(nc3ccccc23)[*:1])n1
Cc1noc(CSc2nc(C3CC3)nc3ccccc23)n1 Cc1noc(C[*:1])n1 c1ccc2c(nc(nc2c1)C1CC1)S[*:1]
Cc1noc(CSc2nc(C3CC3)nc3ccccc23)n1 Cc1noc(n1)[*:1] c1ccc2c(nc(nc2c1)C1CC1)SC[*:1]
CC1(C)CO[C@@H](c2ccccc2)CN1CC(=O)Nc1sccc1C#N N#Cc1ccsc1[*:1] CC1(C)CO[C@H](CN1CC(=O)N[*:1])c1ccccc1
CC1(C)CO[C@@H](c2ccccc2)CN1CC(=O)Nc1sccc1C#N c1ccc(cc1)[*:1] CC1(C)CO[C@@H](CN1CC(=O)Nc1sccc1C#N)[*:1]
CC[C@](C)(NC(=O)[C@H]1CNc2ccccc2O1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)[C@H]1CNc2ccccc2O1)[*:1]
C[C@H](CSCc1ccc(O)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](CSCc1ccc(O)cc1)[*:1]
Cc1ccc(NC(=O)N2CCN(C(=O)c3cc[nH]n3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1cc[nH]n1
CCN(CC1CC1)C(=O)NCCc1nc(C(F)(F)F)cs1 C1CC1C[*:1] CCN(C(=O)NCCc1nc(cs1)C(F)(F)F)[*:1]
CCN(CC1CC1)C(=O)NCCc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CCN(CC1CC1)C(=O)NCCc1nc(cs1)[*:1]
CCN(CC1CC1)C(=O)NCCc1nc(C(F)(F)F)cs1 C1CC1[*:1] CCN(C[*:1])C(=O)NCCc1nc(cs1)C(F)(F)F
O=C(Nc1ccccc1N1CCOCC1)c1cc(-c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1N1CCOCC1)c1cc([nH]n1)[*:1]
O=C(Nc1ccccc1N1CCOCC1)c1cc(-c2ccccc2)[nH]n1 C1CN(CCO1)[*:1] O=C(Nc1ccccc1[*:1])c1cc([nH]n1)-c1ccccc1
CC(C)NC(=O)c1ccccc1NC(=O)CN1CCOC[C@@H]1C CC(C)NC(=O)[*:1] C[C@H]1COCCN1CC(=O)Nc1ccccc1[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)CN1CCOC[C@@H]1C CC(C)[*:1] C[C@H]1COCCN1CC(=O)Nc1ccccc1C(=O)N[*:1]
O=C(Cc1ccc(NC(=O)c2cc3cccnn3c2)cc1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cc2cccnn2c1)N[*:1]
CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CS(=O)(=O)N1CCCC[C@@H]1C(=O)NN[*:1]
COc1ccc(C2=NO[C@H]([C@@H]3C=C(c4ccccc4)N=N3)N2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C1=NO[C@@H](N1)[C@@H]1C=C(N=N1)[*:1]
CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)C1(C)C c1cnc(cn1)[*:1] CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(cc2)O[*:1])C1(C)C
CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)C1(C)C c1cnc(cn1)O[*:1] CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(cc2)[*:1])C1(C)C
O=c1c2sccc2nc(N2CCC(O)CC2)n1Cc1cccc(C(F)(F)F)c1 OC1CCN(CC1)[*:1] O=c1c2sccc2nc(n1Cc1cccc(c1)C(F)(F)F)[*:1]
O=c1c2sccc2nc(N2CCC(O)CC2)n1Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=c1c2sccc2nc(N2CCC(O)CC2)n1Cc1cccc(c1)[*:1]
CCC(CC)C(=O)NC[C@@H](C)c1cccc(C)c1 CCC(CC)[*:1] Cc1cccc(c1)[C@H](C)CNC(=O)[*:1]
CC(C)(C)C(=O)N1CCC(NC(=O)COCC[NH3+])CC1 CC(C)(C)[*:1] [NH3+]CCOCC(=O)NC1CCN(CC1)C(=O)[*:1]
C#Cc1cccc(N(C)C(=O)CCO[C@H](C)CC(C)C)c1 CC(C)C[*:1] C#Cc1cccc(c1)N(C)C(=O)CCO[C@H](C)[*:1]
C#Cc1cccc(N(C)C(=O)CCO[C@H](C)CC(C)C)c1 CC(C)C[C@@H](C)[*:1] C#Cc1cccc(c1)N(C)C(=O)CCO[*:1]
C#Cc1cccc(N(C)C(=O)CCO[C@H](C)CC(C)C)c1 CC(C)C[C@@H](C)O[*:1] C#Cc1cccc(c1)N(C)C(=O)CC[*:1]
C#Cc1cccc(N(C)C(=O)CCO[C@H](C)CC(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(C)C(=O)CCO[C@H](C)C[*:1]
C[C@H](C(=O)NCCc1ncnn1C)c1ccc2ccccc2c1 Cn1ncnc1C[*:1] C[C@H](C(=O)NC[*:1])c1ccc2ccccc2c1
C[C@H](C(=O)NCCc1ncnn1C)c1ccc2ccccc2c1 Cn1ncnc1[*:1] C[C@H](C(=O)NCC[*:1])c1ccc2ccccc2c1
O=C1CCCN1Cc1ccccc1CNC(=O)N1CCCC1 O=C1CCCN1C[*:1] O=C(NCc1ccccc1[*:1])N1CCCC1
O=C1CCCN1Cc1ccccc1CNC(=O)N1CCCC1 O=C1CCCN1[*:1] O=C(NCc1ccccc1C[*:1])N1CCCC1
CS[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2-n2nc(C)nc2C)C1 Cc1nc(C)n(n1)[*:1] CS[C@@H]1CCC[C@@H](C1)NC(=O)Nc1ccccc1[*:1]
CCCn1c(N)c(N[C@H](CO)C(C)C)c(=O)[nH]c1=O CCC[*:1] CC(C)[C@@H](CO)Nc1c(N)n(c(=O)[nH]c1=O)[*:1]
CCCn1c(N)c(N[C@H](CO)C(C)C)c(=O)[nH]c1=O CC(C)[C@@H](CO)[*:1] CCCn1c(N)c(N[*:1])c(=O)[nH]c1=O
CCCn1c(N)c(N[C@H](CO)C(C)C)c(=O)[nH]c1=O CC(C)[*:1] CCCn1c(N)c(N[C@H](CO)[*:1])c(=O)[nH]c1=O
COc1ccc(NC(=O)/C=C/C2=Cc3ccccc3OC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)/C=C/C2=Cc3ccccc3OC2)c(c1)[*:1]
COC(=O)CN(Cc1ccccc1C)C(=O)c1ccc(F)c(F)c1F COC(=O)C[*:1] Cc1ccccc1CN(C(=O)c1ccc(F)c(F)c1F)[*:1]
COC(=O)CN(Cc1ccccc1C)C(=O)c1ccc(F)c(F)c1F Cc1ccccc1[*:1] COC(=O)CN(C[*:1])C(=O)c1ccc(F)c(F)c1F
COC(=O)CN(Cc1ccccc1C)C(=O)c1ccc(F)c(F)c1F Cc1ccccc1C[*:1] COC(=O)CN(C(=O)c1ccc(F)c(F)c1F)[*:1]
COC(=O)CN(Cc1ccccc1C)C(=O)c1ccc(F)c(F)c1F COC(=O)[*:1] Cc1ccccc1CN(C[*:1])C(=O)c1ccc(F)c(F)c1F
CC(C)n1cnn(C[NH+]2CCC(CN3CCOCC3)CC2)c1=S CC(C)[*:1] S=c1n(cnn1C[NH+]1CCC(CC1)CN1CCOCC1)[*:1]
CC(C)n1cnn(C[NH+]2CCC(CN3CCOCC3)CC2)c1=S C1CN(CCO1)C[*:1] CC(C)n1cnn(C[NH+]2CCC(CC2)[*:1])c1=S
CC(C)n1cnn(C[NH+]2CCC(CN3CCOCC3)CC2)c1=S C1CN(CCO1)[*:1] CC(C)n1cnn(C[NH+]2CCC(CC2)C[*:1])c1=S
Cn1c(SCc2ccccc2F)nnc1-c1ccccc1 Fc1ccccc1[*:1] Cn1c(nnc1-c1ccccc1)SC[*:1]
Cn1c(SCc2ccccc2F)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCc1ccccc1F
COc1ccccc1NC(=O)[C@@H](C)S(C)(=O)=O CS(=O)(=O)[*:1] COc1ccccc1NC(=O)[C@@H](C)[*:1]
COCCNC(=O)N1CCC[C@H](C)[C@H]1C COC[*:1] C[C@H]1CCCN(C(=O)NC[*:1])[C@@H]1C
COCCNC(=O)N1CCC[C@H](C)[C@H]1C COCC[*:1] C[C@H]1CCCN(C(=O)N[*:1])[C@@H]1C
CC[NH2+][C@@H](C)[C@H](C)c1nc(CCC(F)(F)F)no1 FC(F)(F)CC[*:1] CC[NH2+][C@@H](C)[C@H](C)c1nc(no1)[*:1]
CC[NH2+][C@@H](C)[C@H](C)c1nc(CCC(F)(F)F)no1 FC(F)(F)C[*:1] CC[NH2+][C@@H](C)[C@H](C)c1nc(C[*:1])no1
CC[NH2+][C@@H](C)[C@H](C)c1nc(CCC(F)(F)F)no1 FC(F)(F)[*:1] CC[NH2+][C@@H](C)[C@H](C)c1nc(CC[*:1])no1
Cc1cc(NC(=O)NCc2cn(C)nc2C(F)(F)F)c2ncccc2c1 FC(F)(F)[*:1] Cc1cc(NC(=O)NCc2cn(C)nc2[*:1])c2ncccc2c1
CCC[C@@H](C)[NH2+][C@H](c1cccc(C)c1)c1ccccn1 c1ccc(nc1)[*:1] CCC[C@@H](C)[NH2+][C@H](c1cccc(C)c1)[*:1]
CCC[C@@H](C)[NH2+][C@H](c1cccc(C)c1)c1ccccn1 CCC[*:1] Cc1cccc(c1)[C@@H]([NH2+][C@H](C)[*:1])c1ccccn1
C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(C1)[*:1]
Cc1nc2cc(NC(=O)[C@H]3CCCN(c4ccc(-n5ccnc5)nn4)C3)ccc2s1 c1cn(cn1)[*:1] Cc1nc2cc(ccc2s1)NC(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
Cc1nc2cc(NC(=O)[C@H]3CCCN(c4ccc(-n5ccnc5)nn4)C3)ccc2s1 Cc1nc2cc(ccc2s1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1ccnc1
Cn1ncc2c(=O)n(Cc3cnc(N)s3)nnc21 Nc1ncc(s1)[*:1] Cn1ncc2c(=O)n(C[*:1])nnc21
C[C@@](O)(CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCO2 c1ccc(cc1)O[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)[*:1])c1ccc2OCOc2c1
C[C@@](O)(CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)Oc1ccccc1)[*:1]
C[C@@](O)(CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)O[*:1])c1ccc2OCOc2c1
CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 CN(C)[*:1] CN(C)S(=O)(=O)N1CCC[C@H]1c1nc(ncc1-c1ccccc1)[*:1]
CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 c1ccc(cc1)[*:1] CN(C)c1ncc(c(n1)[C@@H]1CCCN1S(=O)(=O)N(C)C)[*:1]
COc1ccc(-n2c(=O)[nH]c3cc(C(=O)[O-])ccc3c2=O)cc1 O=C([O-])[*:1] COc1ccc(cc1)-n1c(=O)[nH]c2cc(ccc2c1=O)[*:1]
CSc1nnc([C@@H]2CCCN(C(=O)Nc3cccc(C(C)=O)c3)C2)n1C CSc1nnc(n1C)[*:1] CC(=O)c1cccc(c1)NC(=O)N1CCC[C@H](C1)[*:1]
CSc1nnc([C@@H]2CCCN(C(=O)Nc3cccc(C(C)=O)c3)C2)n1C CC(=O)[*:1] CSc1nnc([C@@H]2CCCN(C2)C(=O)Nc2cccc(c2)[*:1])n1C
CNC(=O)COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)N(C)C)o2)n1 CNC(=O)C[*:1] CN(C)S(=O)(=O)c1ccc(o1)-c1nc(no1)-c1ccccc1O[*:1]
CNC(=O)COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)N(C)C)o2)n1 CNC(=O)[*:1] CN(C)S(=O)(=O)c1ccc(o1)-c1nc(no1)-c1ccccc1OC[*:1]
CNC(=O)COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)N(C)C)o2)n1 CN(C)S(=O)(=O)[*:1] CNC(=O)COc1ccccc1-c1noc(n1)-c1ccc(o1)[*:1]
CNC(=O)COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)N(C)C)o2)n1 CNC(=O)CO[*:1] CN(C)S(=O)(=O)c1ccc(o1)-c1nc(no1)-c1ccccc1[*:1]
O=C1NCCN1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 FC(F)(F)[*:1] O=C1NCCN1[C@H]1CCCN(C1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
O=C1NCCN1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 O=[N+]([O-])[*:1] O=C1NCCN1[C@H]1CCCN(C1)c1ccc(c(c1)C(F)(F)F)[*:1]
O=C1NCCN1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 O=C1NCCN1[*:1] O=[N+]([O-])c1ccc(cc1C(F)(F)F)N1CCC[C@@H](C1)[*:1]
C#CCn1/c(=N/C(=O)CCC)sc2cc(OC)c(OC)cc21 CCC[*:1] C#CCn1/c(=N/C(=O)[*:1])sc2cc(OC)c(cc21)OC
C#CCn1/c(=N/C(=O)CCC)sc2cc(OC)c(OC)cc21 C#CC[*:1] CCCC(=O)/N=c1\sc2cc(OC)c(cc2n1[*:1])OC
CC(C)(C)C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 CC(C)(C)[*:1] O=C1Nc2ccccc2[C@]12CCN(C2)C(=O)[*:1]
Cn1c(CSCCOc2cc(Cl)cc(Cl)c2)nnc1C1CC1 C1CC1[*:1] Cn1c(CSCCOc2cc(Cl)cc(Cl)c2)nnc1[*:1]
CCc1ccc([C@H](CO)NC(=O)[C@H](C)NC(=O)c2ccccc2)cc1 CCc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CO)[*:1]
CCc1ccc([C@H](CO)NC(=O)[C@H](C)NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)[C@H](CO)NC(=O)[C@H](C)NC(=O)[*:1]
COCCN1C(N)=[NH+]C[C@@]1(C)c1ccc(O)c(OC)c1 COCC[*:1] COc1cc(ccc1O)[C@]1(C)C[NH+]=C(N)N1[*:1]
COCCN1C(N)=[NH+]C[C@@]1(C)c1ccc(O)c(OC)c1 COC[*:1] COc1cc(ccc1O)[C@]1(C)C[NH+]=C(N)N1C[*:1]
CCOc1ccccc1OCCSc1nnc2n1CCCCC2 CCO[*:1] c1ccc(c(c1)OCCSc1nnc2CCCCCn21)[*:1]
CC(=O)C1=C(C)C(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)COC(=O)c1ccc(cc1)-n1cnnn1
CC(=O)C1=C(C)C(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)=N[C@H]1C c1nnnn1[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)COC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(OC(F)F)cc2)c(C)c1 FC(F)[*:1] Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(cc2)O[*:1])c(C)c1
Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(OC(F)F)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1ccc(cc1)OC(F)F
Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(OC(F)F)cc2)c(C)c1 FC(F)O[*:1] Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(cc2)[*:1])c(C)c1
CC(C)[NH2+]Cc1ccc(-c2ccc(F)c(F)c2)s1 CC(C)[*:1] Fc1ccc(cc1F)-c1ccc(C[NH2+][*:1])s1
CCOc1ccc(-c2noc(CCC(=O)NC3[C@@H](C)CCC[C@@H]3C)n2)cc1 CCO[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)CCc1nc(no1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2noc(CCC(=O)NC3[C@@H](C)CCC[C@@H]3C)n2)cc1 CCOc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)CCc1nc(no1)[*:1]
Cc1cc(S(=O)(=O)NCCc2ncn[nH]2)sc1Br c1n[nH]c(C[*:1])n1 Cc1cc(sc1Br)S(=O)(=O)NC[*:1]
Cc1cc(S(=O)(=O)NCCc2ncn[nH]2)sc1Br c1n[nH]c(n1)[*:1] Cc1cc(sc1Br)S(=O)(=O)NCC[*:1]
O=C(CCn1cnc2sccc2c1=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(CCn1cnc2sccc2c1=O)Nc1ccccc1[*:1]
O=C(CCn1cnc2sccc2c1=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1cnc2sccc2c1=O)Nc1ccccc1O[*:1]
Cc1ccc(/C=C/S(=O)(=O)N[C@@H](C)c2cn(C)nc2C)cc1 Cc1nn(C)cc1[*:1] Cc1ccc(/C=C/S(=O)(=O)N[C@@H](C)[*:1])cc1
Cc1ccc(/C=C/S(=O)(=O)N[C@@H](C)c2cn(C)nc2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)cc1[C@H](C)NS(=O)(=O)C=C[*:1]
COc1cccc(-n2c(N3CCC[C@@H](C(=O)NCc4cccs4)C3)nc3ccsc3c2=O)c1 O=C(NCc1cccs1)[*:1] COc1cccc(c1)-n1c(nc2ccsc2c1=O)N1CCC[C@@H](C1)[*:1]
COc1cccc(-n2c(N3CCC[C@@H](C(=O)NCc4cccs4)C3)nc3ccsc3c2=O)c1 c1csc(c1)C[*:1] COc1cccc(c1)-n1c(nc2ccsc2c1=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1cccc(-n2c(N3CCC[C@@H](C(=O)NCc4cccs4)C3)nc3ccsc3c2=O)c1 c1csc(c1)[*:1] COc1cccc(c1)-n1c(nc2ccsc2c1=O)N1CCC[C@H](C1)C(=O)NC[*:1]
COc1cccc(-n2c(N3CCC[C@@H](C(=O)NCc4cccs4)C3)nc3ccsc3c2=O)c1 COc1cccc(c1)[*:1] O=C(NCc1cccs1)[C@@H]1CCCN(C1)c1nc2ccsc2c(=O)n1[*:1]
Cc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1F Cc1ccc(cc1F)[*:1] O=C1c2ccccc2[C@H](N[*:1])N1Cc1ccc2OCOc2c1
Cc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1F c1cc2OCOc2cc1[*:1] Cc1ccc(cc1F)N[C@H]1c2ccccc2C(=O)N1C[*:1]
Cc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1F Cc1ccc(cc1F)N[*:1] O=C1c2ccccc2[C@@H](N1Cc1ccc2OCOc2c1)[*:1]
COC(=O)c1ccc(C[NH2+]Cc2cccnc2OC)nc1 COC(=O)[*:1] COc1ncccc1C[NH2+]Cc1ccc(cn1)[*:1]
O=C([O-])Cn1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc2ccccc21 O=C([O-])C[*:1] FC(F)(F)c1ccc(cc1)-c1noc(n1)-c1cc2ccccc2n1[*:1]
O=C([O-])Cn1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc2ccccc21 FC(F)(F)[*:1] O=C([O-])Cn1c(cc2ccccc21)-c1nc(no1)-c1ccc(cc1)[*:1]
O=C([O-])Cn1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc2ccccc21 O=C([O-])[*:1] FC(F)(F)c1ccc(cc1)-c1noc(n1)-c1cc2ccccc2n1C[*:1]
COc1ccc(OCC(C)(C)C(=O)[O-])c(CC[NH3+])c1 [NH3+]CC[*:1] COc1ccc(OCC(C)(C)C(=O)[O-])c(c1)[*:1]
COc1ccc(OCC(C)(C)C(=O)[O-])c(CC[NH3+])c1 CC(C)(C(=O)[O-])[*:1] COc1ccc(OC[*:1])c(c1)CC[NH3+]
COc1ccc(OCC(C)(C)C(=O)[O-])c(CC[NH3+])c1 O=C([O-])[*:1] COc1ccc(OCC(C)(C)[*:1])c(c1)CC[NH3+]
Cc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CNC(=O)NCc1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)[N+](=O)[O-])NC[*:1]
CC[C@H]1CCc2sc(C(=O)NC3COC3)cc2C1 C1OCC1[*:1] CC[C@H]1CCc2sc(cc2C1)C(=O)N[*:1]
CC1(C)SC(=S)N(c2ccccc2)[C@H]1/[N+]([O-])=C/c1ccccc1 c1ccc(cc1)[*:1] CC1(C)SC(=S)N([C@H]1/[N+]([O-])=C/c1ccccc1)[*:1]
CC1(C)SC(=S)N(c2ccccc2)[C@H]1/[N+]([O-])=C/c1ccccc1 c1ccc(cc1)[*:1] CC1(C)SC(=S)N(c2ccccc2)[C@H]1[N+]([O-])=C[*:1]
O=C(OC1CCC1)[C@@H]1C[C@H]1c1ccccc1F C1CC(C1)[*:1] O=C(O[*:1])[C@@H]1C[C@H]1c1ccccc1F
O=C(Nc1ccccc1N1CCCCC1)c1cnc(Cl)c(Cl)c1 C1CCN(CC1)[*:1] O=C(Nc1ccccc1[*:1])c1cnc(Cl)c(Cl)c1
C[C@@H]1Sc2c(Br)cccc2[C@H]([NH2+]C2CC2)[C@@H]1C C1CC1[*:1] C[C@@H]1Sc2c(Br)cccc2[C@H]([NH2+][*:1])[C@@H]1C
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3\N=C(c4ccccc4)OC3=O)c2)cc1 Cc1ccc(cc1)[*:1] O=C1OC(=N/C1=C\c1cccc(c1)OS(=O)(=O)[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3\N=C(c4ccccc4)OC3=O)c2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)Oc1cccc(/C=C2\N=C(OC2=O)[*:1])c1
Fc1ccc(OCC2=NN3[C@@H]([C@H]4C=c5ccccc5=[NH+]4)NN[C@H]3S2)cc1 Fc1ccc(cc1)[*:1] C1=c2ccccc2=[NH+][C@H]1[C@H]1NN[C@H]2SC(CO[*:1])=NN12
Fc1ccc(OCC2=NN3[C@@H]([C@H]4C=c5ccccc5=[NH+]4)NN[C@H]3S2)cc1 Fc1ccc(cc1)O[*:1] C1=c2ccccc2=[NH+][C@H]1[C@H]1NN[C@H]2SC(C[*:1])=NN12
O=C(COc1ccc(C(=O)[O-])nc1)Nc1ccccc1F O=C([O-])[*:1] O=C(COc1ccc(nc1)[*:1])Nc1ccccc1F
O=C(COc1ccc(C(=O)[O-])nc1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(COc1ccc(nc1)C(=O)[O-])N[*:1]
CNC(=O)[C@H](C)CN(C)CC1=NS(=O)(=O)c2ccccc2N1 CNC(=O)[C@H](C)[*:1] CN(CC1=NS(=O)(=O)c2ccccc2N1)C[*:1]
CNC(=O)[C@H](C)CN(C)CC1=NS(=O)(=O)c2ccccc2N1 CNC(=O)[*:1] C[C@H](CN(C)CC1=NS(=O)(=O)c2ccccc2N1)[*:1]
CNC(=O)[C@H](C)CN(C)CC1=NS(=O)(=O)c2ccccc2N1 CNC(=O)[C@H](C)C[*:1] CN(CC1=NS(=O)(=O)c2ccccc2N1)[*:1]
COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] COc1cc(=O)n(nc1C(=O)Nc1ccc(Cl)cc1)[*:1]
COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1cc(=O)n(nc1C(=O)N[*:1])-c1ccccc1
Cc1cc(C)cc(CCNC(=O)CNC(=O)NCc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)CCNC(=O)CNC(=O)NC[*:1]
Cc1cc(C)cc(CCNC(=O)CNC(=O)NCc2ccc(F)cc2)c1 Fc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)CCNC(=O)CNC(=O)N[*:1]
Cc1cc(C)cc(CCNC(=O)CNC(=O)NCc2ccc(F)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CNC(=O)NCc1ccc(F)cc1)NCC[*:1]
CC(C)=CC[C@H](C(=O)[O-])c1ccccc1 CC(C)=C[*:1] O=C([O-])[C@@H](C[*:1])c1ccccc1
CC(C)=CC[C@H](C(=O)[O-])c1ccccc1 CC(C)=CC[*:1] O=C([O-])[C@H](c1ccccc1)[*:1]
CC(C)=CC[C@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CC(C)=CC[C@H](c1ccccc1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H](C(=O)NC4CC4)C3)cc2)cc1 O=C(NC1CC1)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H](C(=O)NC4CC4)C3)cc2)cc1 CC(C)(C)[*:1] O=C(NC1CC1)[C@H]1CCCN(C1)C(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H](C(=O)NC4CC4)C3)cc2)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H](C(=O)NC4CC4)C3)cc2)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C(NC1CC1)[C@H]1CCCN(C1)C(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 C1CO[C@@H](C1)C[*:1] C[C@@H](O[*:1])C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 C1CO[C@@H](C1)[*:1] C[C@@H](OC[*:1])C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H](C)[C@H](C)[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 C1CO[C@@H](C1)CO[*:1] C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@H](C)[*:1]
CCc1ccc(C(=O)Nc2nc3c(cc2C#N)CCC3)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])C(=O)Nc1nc2CCCc2cc1C#N
COC(=O)CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 C1CC1[*:1] COC(=O)CNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COC(=O)CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 COC(=O)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)C1CC1
COC(=O)CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 COC(=O)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)C1CC1
CO[C@@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)NNC(=O)Cc1c[nH]c2ccccc12)[*:1]
C=CCN1C(N)=[NH+]C[C@H]1c1cccc(F)c1 C=CC[*:1] NC1=[NH+]C[C@@H](c2cccc(F)c2)N1[*:1]
O=C1NCCN(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C1NCCN(Cc2ccccc2)[C@H]1c1ccc(cc1)OC[*:1]
O=C1NCCN(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C1NCCN([C@H]1c1ccc(cc1)OCc1ccccc1)[*:1]
O=C1NCCN(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C1NCCN(C[*:1])[C@H]1c1ccc(cc1)OCc1ccccc1
O=C1NCCN(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C1NCCN(Cc2ccccc2)[C@H]1c1ccc(cc1)O[*:1]
O=C1NCCN(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] O=C1NCCN(Cc2ccccc2)[C@H]1c1ccc(cc1)[*:1]
Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 Cc1noc(C)c1[*:1] O=C(CC[*:1])N1CCC[C@H](C1)c1nc2ccccc2[nH]1
Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 Cc1noc(C)c1C[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1nc2ccccc2[nH]1
CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 c1ncn(n1)[*:1] CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(c(c1)C(F)(F)F)[*:1]
CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 FC(F)(F)[*:1] CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(c(c1)[*:1])-n1cncn1
C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)C2=O Fc1ccc(cc1)[*:1] C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(CC1)C(c1ccc(F)cc1)[*:1])C2=O
CC(C)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCc3sccc3C2)CC1 CC(C)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)C(=O)C[NH+]1CCc2sccc2C1
Nc1nc2ccccc2nc1N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] Nc1nc2ccccc2nc1N1CCC(CC1)[*:1]
Cc1ccc([O-])c(CN(Cc2ccccc2)Cc2nccs2)[nH+]1 c1csc(C[*:1])n1 Cc1ccc([O-])c(CN(Cc2ccccc2)[*:1])[nH+]1
Cc1ccc([O-])c(CN(Cc2ccccc2)Cc2nccs2)[nH+]1 c1ccc(cc1)C[*:1] Cc1ccc([O-])c(CN(Cc2nccs2)[*:1])[nH+]1
Cc1ccc([O-])c(CN(Cc2ccccc2)Cc2nccs2)[nH+]1 c1csc(n1)[*:1] Cc1ccc([O-])c(CN(Cc2ccccc2)C[*:1])[nH+]1
Cc1ccc([O-])c(CN(Cc2ccccc2)Cc2nccs2)[nH+]1 c1ccc(cc1)[*:1] Cc1ccc([O-])c(CN(Cc2nccs2)C[*:1])[nH+]1
CC(C)[C@@H](C(=O)N1CCCN(CC(F)(F)F)CC1)c1ccccc1 CC(C)[*:1] O=C([C@@H](c1ccccc1)[*:1])N1CCCN(CC1)CC(F)(F)F
CC(C)[C@@H](C(=O)N1CCCN(CC(F)(F)F)CC1)c1ccccc1 FC(F)(F)[*:1] CC(C)[C@@H](C(=O)N1CCCN(CC1)C[*:1])c1ccccc1
CC(C)[C@@H](C(=O)N1CCCN(CC(F)(F)F)CC1)c1ccccc1 FC(F)(F)C[*:1] CC(C)[C@@H](C(=O)N1CCCN(CC1)[*:1])c1ccccc1
CC(C)[C@@H](C(=O)N1CCCN(CC(F)(F)F)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)N1CCCN(CC1)CC(F)(F)F)[*:1]
CC(C)(NC(=O)c1ccc(Br)nc1)C(N)=O NC(=O)[*:1] CC(C)(NC(=O)c1ccc(Br)nc1)[*:1]
Cc1nc(C2(NC(=O)NC3[C@H](C)CCC[C@H]3C)CCCC2)no1 Cc1nc(no1)[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)NC1(CCCC1)[*:1]
CC(C)[C@H](C)n1c(SCC(=O)[O-])nc2cc(Br)cnc21 O=C([O-])[*:1] CC(C)[C@H](C)n1c(nc2cc(Br)cnc21)SC[*:1]
CC(C)[C@H](C)n1c(SCC(=O)[O-])nc2cc(Br)cnc21 CC(C)[*:1] C[C@H](n1c(nc2cc(Br)cnc21)SCC(=O)[O-])[*:1]
CC(C)[C@H](C)n1c(SCC(=O)[O-])nc2cc(Br)cnc21 CC(C)[C@H](C)[*:1] O=C([O-])CSc1nc2cc(Br)cnc2n1[*:1]
CC(C)[C@H](C)n1c(SCC(=O)[O-])nc2cc(Br)cnc21 O=C([O-])C[*:1] CC(C)[C@H](C)n1c(nc2cc(Br)cnc21)S[*:1]
CC(C)[C@H](C)n1c(SCC(=O)[O-])nc2cc(Br)cnc21 O=C([O-])CS[*:1] CC(C)[C@H](C)n1c(nc2cc(Br)cnc21)[*:1]
CCOC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)N[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)N[C@@H]1[*:1]
CCOC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)N[C@H]1c1ccc(Cl)cc1 c1ccc2c(c1)CCCN2[*:1] CCOC(=O)C1=C(C[*:1])NC(=O)N[C@H]1c1ccc(Cl)cc1
CCOC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)N[C@H]1c1ccc(Cl)cc1 CCOC(=O)[*:1] O=C1NC(CN2CCCc3ccccc32)=C([C@@H](N1)c1ccc(Cl)cc1)[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cc(Cl)ccc2F)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cc(Cl)ccc1F)[C@@H]1CCC(=O)N1C[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cc(Cl)ccc2F)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1cc(Cl)ccc1F)[C@@H]1CCC(=O)N1[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cc(Cl)ccc2F)cc1 Fc1ccc(Cl)cc1[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)N[*:1]
CCCC[C@@H]1CN(c2cccc(C)c2)C(=O)CN1C(=O)CN1CCOC1=O CCCC[*:1] Cc1cccc(c1)N1C[C@H](N(CC1=O)C(=O)CN1CCOC1=O)[*:1]
CCCC[C@@H]1CN(c2cccc(C)c2)C(=O)CN1C(=O)CN1CCOC1=O CCC[*:1] Cc1cccc(c1)N1C[C@@H](C[*:1])N(CC1=O)C(=O)CN1CCOC1=O
CCCC[C@@H]1CN(c2cccc(C)c2)C(=O)CN1C(=O)CN1CCOC1=O O=C1OCCN1[*:1] CCCC[C@@H]1CN(C(=O)CN1C(=O)C[*:1])c1cccc(C)c1
CCCC[C@@H]1CN(c2cccc(C)c2)C(=O)CN1C(=O)CN1CCOC1=O O=C1OCCN1C[*:1] CCCC[C@@H]1CN(C(=O)CN1C(=O)[*:1])c1cccc(C)c1
CCCC[C@@H]1CN(c2cccc(C)c2)C(=O)CN1C(=O)CN1CCOC1=O Cc1cccc(c1)[*:1] CCCC[C@@H]1CN(C(=O)CN1C(=O)CN1CCOC1=O)[*:1]
CCC[C@@H](C[NH3+])C(=O)N[C@@H](CO)C(C)C CC(C)[*:1] CCC[C@@H](C[NH3+])C(=O)N[C@@H](CO)[*:1]
CCC[C@@H](C[NH3+])C(=O)N[C@@H](CO)C(C)C CCC[*:1] CC(C)[C@H](CO)NC(=O)[C@H](C[NH3+])[*:1]
COC(=O)c1c(CC(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)[nH]c(C(C)=O)c1C CC(=O)[*:1] COC(=O)c1c(CC(=O)Nc2ccc3[nH]c(nc3c2)-c2ccccc2Cl)[nH]c(c1C)[*:1]
COC(=O)c1c(CC(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)[nH]c(C(C)=O)c1C COC(=O)[*:1] CC(=O)c1[nH]c(CC(=O)Nc2ccc3[nH]c(nc3c2)-c2ccccc2Cl)c(c1C)[*:1]
COC(=O)c1c(CC(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)[nH]c(C(C)=O)c1C Clc1ccccc1[*:1] COC(=O)c1c(CC(=O)Nc2ccc3[nH]c(nc3c2)[*:1])[nH]c(C(C)=O)c1C
O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)[*:1]
O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(Nc1ncc(s1)C(O)(C(F)(F)F)[*:1])c1ccc(F)cc1
CC/C=C(/C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C CCC=C(C)[*:1] Cc1ccc(NC(=O)[*:1])c(C)c1S(=O)(=O)NC1CC1
CC/C=C(/C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C C1CC1[*:1] CC/C=C(/C)C(=O)Nc1ccc(C)c(c1C)S(=O)(=O)N[*:1]
CC/C=C(/C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C O=S(=O)(NC1CC1)[*:1] CC/C=C(/C)C(=O)Nc1ccc(C)c(c1C)[*:1]
CC(C)COc1ncc(CNC(=O)c2cnc3sccn3c2=O)cc1Cl CC(C)CO[*:1] O=C(NCc1cnc(c(Cl)c1)[*:1])c1cnc2sccn2c1=O
CC(C)COc1ncc(CNC(=O)c2cnc3sccn3c2=O)cc1Cl CC(C)[*:1] O=C(NCc1cnc(OC[*:1])c(Cl)c1)c1cnc2sccn2c1=O
CC(C)COc1ncc(CNC(=O)c2cnc3sccn3c2=O)cc1Cl CC(C)C[*:1] O=C(NCc1cnc(O[*:1])c(Cl)c1)c1cnc2sccn2c1=O
Cn1ncc2c1CCC[C@@H]2NC(=O)NCC1(c2ccccc2F)CC1 Fc1ccccc1[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)NCC1(CC1)[*:1]
Cc1ccc2c(c1)=[NH+][C@@H](S[C@H](C(=O)N1CCOCC1)c1ccccc1)[NH+]=2 O=C(N1CCOCC1)[*:1] Cc1ccc2=[NH+][C@@H]([NH+]=c2c1)S[C@H](c1ccccc1)[*:1]
Cc1ccc2c(c1)=[NH+][C@@H](S[C@H](C(=O)N1CCOCC1)c1ccccc1)[NH+]=2 c1ccc(cc1)[*:1] Cc1ccc2=[NH+][C@@H]([NH+]=c2c1)S[C@H](C(=O)N1CCOCC1)[*:1]
CCN(C)c1ccc(C(=O)OCc2nnc(-c3cccc(C)c3)o2)cc1 Cc1cccc(c1)[*:1] CCN(C)c1ccc(cc1)C(=O)OCc1nnc(o1)[*:1]
CCN(C)c1ccc(C(=O)OCc2nnc(-c3cccc(C)c3)o2)cc1 CCN(C)[*:1] Cc1cccc(c1)-c1nnc(COC(=O)c2ccc(cc2)[*:1])o1
Cc1cn2c(=O)c(C(=O)N[C@@H](CCO)C3CC3)cnc2s1 C1CC1[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@@H](CCO)[*:1]
Cc1cn2c(=O)c(C(=O)N[C@@H](CCO)C3CC3)cnc2s1 OCC[C@@H](C1CC1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[*:1]
Cc1cn2c(=O)c(C(=O)N[C@@H](CCO)C3CC3)cnc2s1 OCC[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@@H](C1CC1)[*:1]
Cc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nn1 Clc1cccc(c1)[*:1] Cc1ccc(nn1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nn1 Cc1ccc(nn1)[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)[*:1]
O=C(COc1ccccc1)Oc1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(C[*:1])Oc1ccc(cc1)NC(=O)c1ccccc1
O=C(COc1ccccc1)Oc1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(COc1ccccc1)Oc1ccc(cc1)NC(=O)[*:1]
O=C(COc1ccccc1)Oc1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)OC[*:1] O=C(Nc1ccc(cc1)OC(=O)[*:1])c1ccccc1
O=C(COc1ccccc1)Oc1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CO[*:1])Oc1ccc(cc1)NC(=O)c1ccccc1
Cc1cccnc1NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 Cc1cccnc1[*:1] O=C(N[*:1])[C@H]1CC(=NO1)c1c(F)cccc1F
Cc1cc(NC(=O)CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)no1 Clc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)CSc1nc2c(cnn2[*:1])c(=O)[nH]1
Cc1cc(NC(=O)CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)no1 Cc1cc(no1)[*:1] O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)N[*:1]
Cc1cc(NC(=O)CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)no1 Cc1cc(no1)NC(=O)[*:1] O=c1[nH]c(nc2c1cnn2-c1cccc(Cl)c1)SC[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 CCCC[*:1] NC(=O)N[C@@H](C(=O)N1CCC[C@@H](C1)c1ccn[nH]1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 c1cc([nH]n1)[*:1] CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](C1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 CCC[*:1] NC(=O)N[C@H](C[*:1])C(=O)N1CCC[C@@H](C1)c1ccn[nH]1
CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 NC(=O)N[*:1] CCCC[C@@H](C(=O)N1CCC[C@@H](C1)c1ccn[nH]1)[*:1]
O=C(NC1CC1)c1ccc(NC(=O)c2nsc3ccccc23)cc1 O=C(NC1CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1nsc2ccccc12
O=C(NC1CC1)c1ccc(NC(=O)c2nsc3ccccc23)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1nsc2ccccc12
COc1ccc(C)cc1CNCCc1ncn(C)n1 Cn1cnc(n1)[*:1] COc1ccc(C)cc1CNCC[*:1]
CC[C@@H]1CCc2c(sc(=O)n2CN2CCN(Cc3ccncc3)CC2)C1 c1cc(ccn1)[*:1] CC[C@@H]1CCc2c(C1)sc(=O)n2CN1CCN(CC1)C[*:1]
CC[C@@H]1CCc2c(sc(=O)n2CN2CCN(Cc3ccncc3)CC2)C1 c1cc(ccn1)C[*:1] CC[C@@H]1CCc2c(C1)sc(=O)n2CN1CCN(CC1)[*:1]
Cc1cc(NC(=O)NC[C@@H](O)CN2CCOCC2)cnc1Cl C1CN(CCO1)C[*:1] Cc1cc(cnc1Cl)NC(=O)NC[C@@H](O)[*:1]
Cc1cc(NC(=O)NC[C@@H](O)CN2CCOCC2)cnc1Cl C1CN(CCO1)[*:1] Cc1cc(cnc1Cl)NC(=O)NC[C@@H](O)C[*:1]
C[C@@H]1C[NH+](CC2(C(=O)[O-])CCCC2)C[C@H]1C O=C([O-])[*:1] C[C@@H]1C[NH+](C[C@H]1C)CC1(CCCC1)[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1ccoc1 c1cc(co1)C[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1ccoc1 c1cc(co1)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)NC[*:1]
COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc2ncccc2c1)C(C)C CC(C)[*:1] COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc2ncccc2c1)[*:1]
COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc2ncccc2c1)C(C)C COc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1ccc2ncccc2c1
CC[C@H](Cc1ccc(C)cc1)NC(=O)NCC(=O)NC1CC1 O=C(C[*:1])NC1CC1 CC[C@H](Cc1ccc(C)cc1)NC(=O)N[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)NCC(=O)NC1CC1 Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)NCC(=O)NC1CC1
CC[C@H](Cc1ccc(C)cc1)NC(=O)NCC(=O)NC1CC1 C1CC1[*:1] CC[C@H](Cc1ccc(C)cc1)NC(=O)NCC(=O)N[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)NCC(=O)NC1CC1 O=C(NC1CC1)[*:1] CC[C@H](Cc1ccc(C)cc1)NC(=O)NC[*:1]
Cn1cc(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)c(-c2cccnc2)n1 Clc1ccc(cc1)S[*:1] Cn1cc(C[NH+]2CCC(CC2)[*:1])c(n1)-c1cccnc1
Cn1cc(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)c(-c2cccnc2)n1 Clc1ccc(cc1)[*:1] Cn1cc(C[NH+]2CCC(CC2)S[*:1])c(n1)-c1cccnc1
Cn1cc(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)c(-c2cccnc2)n1 c1cncc(c1)[*:1] Cn1cc(C[NH+]2CCC(CC2)Sc2ccc(Cl)cc2)c(n1)[*:1]
Cc1nc(-c2ccc(CNC(=O)c3ccccc3)o2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)-c1ccc(CNC(=O)[*:1])o1
Cc1nc(-c2ccc(CNC(=O)c3ccccc3)o2)cs1 Cc1nc(cs1)[*:1] O=C(NCc1ccc(o1)[*:1])c1ccccc1
CCOC(=O)C[C@@H](C)CNC(=O)Nc1ccc(F)c(C#N)c1 CCOC(=O)[*:1] C[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)C[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)Nc1ccc(F)c(C#N)c1 CCOC(=O)C[*:1] C[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccccc3F)c2)c1 Fc1ccccc1[*:1] COc1ccc(c(c1)C(=O)Nc1cnn(c1)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3ccccc3F)c2)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)Nc1cnn(c1)-c1ccccc1F)[*:1]
O=C(NCCCn1cc[nH+]c1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCCCn1cc[nH+]c1)N1CCC[NH+](CC1)C[*:1]
O=C(NCCCn1cc[nH+]c1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(NCCCn1cc[nH+]c1)N1CCC[NH+](CC1)[*:1]
CC(C)n1ncc2cc(C(=O)NCCNC(=O)c3ccco3)cnc21 O=C(N[*:1])c1ccco1 CC(C)n1ncc2cc(cnc21)C(=O)NCC[*:1]
CC(C)n1ncc2cc(C(=O)NCCNC(=O)c3ccco3)cnc21 CC(C)[*:1] O=C(NCCNC(=O)c1ccco1)c1cnc2c(cnn2[*:1])c1
CC(C)n1ncc2cc(C(=O)NCCNC(=O)c3ccco3)cnc21 c1coc(c1)[*:1] CC(C)n1ncc2cc(cnc21)C(=O)NCCNC(=O)[*:1]
CCc1cccc(C)c1NC(=O)CSc1nc(C)c(C)[nH]1 Cc1nc([nH]c1C)[*:1] CCc1cccc(C)c1NC(=O)CS[*:1]
Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NS(=O)(=O)N2CCCC2)cc1 Cc1ccc(cc1)[*:1] CC1(C)Cc2c(cnn2[*:1])[C@H](C1)NS(=O)(=O)N1CCCC1
Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NS(=O)(=O)N2CCCC2)cc1 O=S(=O)(N[*:1])N1CCCC1 Cc1ccc(cc1)-n1ncc2c1CC(C)(C)C[C@H]2[*:1]
Cc1nc(C)n([C@H]2CCC[C@@](CO)([NH2+]C3CC3)C2)n1 C1CC1[*:1] Cc1nc(C)n(n1)[C@H]1CCC[C@](CO)(C1)[NH2+][*:1]
CCc1ccc([C@H](CN[C@@H]2CCOC2)[NH+](C)C)cc1 C1C[C@H](CO1)[*:1] CCc1ccc(cc1)[C@H](CN[*:1])[NH+](C)C
CCc1ccc([C@H](CN[C@@H]2CCOC2)[NH+](C)C)cc1 C1C[C@H](CO1)N[*:1] CCc1ccc(cc1)[C@H](C[*:1])[NH+](C)C
C#CC[C@H](OC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1)c1ccccn1 C#CC[*:1] C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)O[C@H](c2ccccn2)[*:1])o1
C#CC[C@H](OC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1)c1ccccn1 c1ccc(nc1)[*:1] C#CC[C@H](OC(=O)/C=C/c1ccc(o1)[C@H]1C[C@@H]1C)[*:1]
C#CC[C@H](OC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1)c1ccccn1 C[C@H]1C[C@@H]1[*:1] C#CC[C@H](OC(=O)/C=C/c1ccc(o1)[*:1])c1ccccn1
Cn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cc3c(cc21)OCCO3 c1cc2OCOc2cc1[*:1] Cn1/c(=N/C(=O)C[*:1])sc2cc3OCCOc3cc21
CC(C)N1C(=O)NC(=N)[C@@]12CCC[C@@H](C)CC2 CC(C)[*:1] C[C@@H]1CCC[C@]2(CC1)C(=N)NC(=O)N2[*:1]
C[C@H]1CCC(=O)N(C[C@H](CS)C(C)(C)C)CC1 CC(C)(C)[*:1] C[C@H]1CCC(=O)N(CC1)C[C@H](CS)[*:1]
Cc1cccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1C Cc1cccc(c1C)[*:1] O=C(CO[*:1])NC[C@@H](c1ccco1)[NH+]1CCCC1
Cc1cccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1C c1coc(c1)[*:1] Cc1cccc(OCC(=O)NC[C@@H]([NH+]2CCCC2)[*:1])c1C
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccs2)N(CCN2CCOCC2)C3=O)cc1 Cc1ccc(cc1)[*:1] O=C1c2[nH]nc(c2[C@@H](c2cccs2)N1CCN1CCOCC1)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccs2)N(CCN2CCOCC2)C3=O)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[*:1])[C@H](c3cccs3)c12
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccs2)N(CCN2CCOCC2)C3=O)cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N([C@H](c3cccs3)c12)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccs2)N(CCN2CCOCC2)C3=O)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(CCN3CCOCC3)[C@H](c12)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccs2)N(CCN2CCOCC2)C3=O)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(CC[*:1])[C@H](c3cccs3)c12
NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 NC(=O)[*:1] O=C(Nc1c(oc2ccccc12)[*:1])[C@@H]1C[C@H]2CC[C@@H]1C2
Fc1cccc([C@@H]2CN(Cc3ccccc3N3CCOCC3)CCO2)c1 Fc1cccc(c1)[*:1] c1ccc(c(c1)CN1CCO[C@@H](C1)[*:1])N1CCOCC1
Fc1cccc([C@@H]2CN(Cc3ccccc3N3CCOCC3)CCO2)c1 C1CN(CCO1)[*:1] Fc1cccc(c1)[C@@H]1CN(CCO1)Cc1ccccc1[*:1]
Cc1cccc(C[S@](=O)Cc2ccc(C(=O)N3CCCC3)cc2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)C[S@](=O)Cc1ccc(cc1)[*:1]
Cc1cccc(C[S@](=O)Cc2ccc(C(=O)N3CCCC3)cc2)c1 Cc1cccc(c1)[*:1] O=C(c1ccc(cc1)C[S@@](=O)C[*:1])N1CCCC1
Cc1cccc(C[S@](=O)Cc2ccc(C(=O)N3CCCC3)cc2)c1 Cc1cccc(c1)C[*:1] O=C(c1ccc(cc1)C[S@@](=O)[*:1])N1CCCC1
COc1ccc(CCN2C(=O)CC[C@@H](C(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)CCN1C(=O)CC[C@@H]([C@@H]1c1ccc(Cl)cc1)[*:1]
COc1ccc(CCN2C(=O)CC[C@@H](C(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1[*:1]
C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCCN(c2cccnn2)C1 Clc1cccc(Cl)c1[*:1] C[C@H](C[*:1])[NH2+][C@@H]1CCCN(C1)c1cccnn1
C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCCN(c2cccnn2)C1 c1cnnc(c1)[*:1] C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCCN(C1)[*:1]
O=C(Nc1ccn(Cc2ccccn2)n1)N1CCCC[C@@H]1CO c1ccc(C[*:1])nc1 O=C(Nc1ccn(n1)[*:1])N1CCCC[C@@H]1CO
O=C(Nc1ccn(Cc2ccccn2)n1)N1CCCC[C@@H]1CO c1ccc(nc1)[*:1] O=C(Nc1ccn(C[*:1])n1)N1CCCC[C@@H]1CO
C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](CCCO)CC1)c1ccc2ccccc2c1 OCC[*:1] C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](CC1)C[*:1])c1ccc2ccccc2c1
C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cncc2ccccc12 Fc1ccccc1[*:1] C[C@@H](N(C)C(=O)Nc1cncc2ccccc12)[*:1]
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[*:1]
Cc1ccsc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccsc1[C@@H]1CC(=NN1C(=O)[*:1])c1cccc(F)c1
Cc1ccsc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)c1ccco1 Cc1ccsc1[*:1] O=C(c1ccco1)N1N=C(C[C@H]1[*:1])c1cccc(F)c1
Cc1ccsc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)c1ccco1 Fc1cccc(c1)[*:1] Cc1ccsc1[C@@H]1CC(=NN1C(=O)c1ccco1)[*:1]
Cn1cnn(-c2ccc(NC(=O)N3CCC[C@@H]4CCC[C@H]43)cc2)c1=O Cn1cnn(c1=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[C@@H]2CCC[C@H]21
C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)S(=O)(=O)NNC(=O)[*:1]
C[C@@](CO)([NH2+]Cc1ccn(-c2ccccc2)n1)C1CC1 c1ccc(cc1)[*:1] C[C@@](CO)([NH2+]Cc1ccn(n1)[*:1])C1CC1
C[C@@](CO)([NH2+]Cc1ccn(-c2ccccc2)n1)C1CC1 C1CC1[*:1] C[C@@](CO)([NH2+]Cc1ccn(n1)-c1ccccc1)[*:1]
C[C@H](O)CN(C)S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] C[C@H](O)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1nccn1Cc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cc1 Cc1nccn1C[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
Cc1nccn1Cc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cc1 Cc1nccn1[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
CNC(=O)c1ccc(NC(=O)CCCNC(=O)c2ccsc2)c(C)c1 CNC(=O)[*:1] Cc1cc(ccc1NC(=O)CCCNC(=O)c1ccsc1)[*:1]
CNC(=O)c1ccc(NC(=O)CCCNC(=O)c2ccsc2)c(C)c1 c1cc(cs1)[*:1] CNC(=O)c1ccc(NC(=O)CCCNC(=O)[*:1])c(C)c1
CNC(=O)c1ccc(NC(=O)CCCNC(=O)c2ccsc2)c(C)c1 O=C(N[*:1])c1ccsc1 CNC(=O)c1ccc(NC(=O)CCC[*:1])c(C)c1
CC[C@@H](NC(=O)[C@@H]1C[C@@H]1C)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NC(=O)[C@@H]1C[C@@H]1C)c1nc(cs1)[*:1]
CC[C@@H](NC(=O)[C@@H]1C[C@@H]1C)c1nc(C(F)(F)F)cs1 C[C@H]1C[C@H]1[*:1] CC[C@@H](NC(=O)[*:1])c1nc(cs1)C(F)(F)F
Cc1n[nH]c(SCC(=O)NC2(C)Cc3ccccc3C2)n1 Cc1n[nH]c(n1)S[*:1] CC1(Cc2ccccc2C1)NC(=O)C[*:1]
Cc1n[nH]c(SCC(=O)NC2(C)Cc3ccccc3C2)n1 Cc1n[nH]c(n1)[*:1] CC1(Cc2ccccc2C1)NC(=O)CS[*:1]
O=C(OC[C@@H]1CCCO1)c1nc2ccccc2nc1NCc1ccco1 c1coc(c1)C[*:1] O=C(OC[C@@H]1CCCO1)c1nc2ccccc2nc1N[*:1]
O=C(OC[C@@H]1CCCO1)c1nc2ccccc2nc1NCc1ccco1 c1coc(c1)CN[*:1] O=C(OC[C@@H]1CCCO1)c1nc2ccccc2nc1[*:1]
O=C(OC[C@@H]1CCCO1)c1nc2ccccc2nc1NCc1ccco1 c1coc(c1)[*:1] O=C(OC[C@@H]1CCCO1)c1nc2ccccc2nc1NC[*:1]
CC(C)c1nn(C)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 CC(C)[*:1] Cn1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(n1)[*:1]
COC[C@H](C)N(Cc1cccc(C)c1)C(=O)c1cc(-c2cnn(C)c2C)no1 Cc1cccc(c1)[*:1] COC[C@H](C)N(C[*:1])C(=O)c1cc(no1)-c1cnn(C)c1C
COC[C@H](C)N(Cc1cccc(C)c1)C(=O)c1cc(-c2cnn(C)c2C)no1 Cc1c(cnn1C)[*:1] COC[C@H](C)N(Cc1cccc(C)c1)C(=O)c1cc(no1)[*:1]
COC[C@H](C)N(Cc1cccc(C)c1)C(=O)c1cc(-c2cnn(C)c2C)no1 COC[*:1] Cc1cccc(c1)CN(C(=O)c1cc(no1)-c1cnn(C)c1C)[C@@H](C)[*:1]
COC[C@H](C)N(Cc1cccc(C)c1)C(=O)c1cc(-c2cnn(C)c2C)no1 Cc1cccc(c1)C[*:1] COC[C@H](C)N(C(=O)c1cc(no1)-c1cnn(C)c1C)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2c[nH]c3ccccc23)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1c[nH]c2ccccc12)[C@@H](O)[*:1]
CCCCOC(=O)[C@H](C)NC(=O)c1sc2ncn(C)c(=O)c2c1C CCCCOC(=O)[*:1] Cc1c(sc2ncn(C)c(=O)c12)C(=O)N[C@@H](C)[*:1]
CCCCOC(=O)[C@H](C)NC(=O)c1sc2ncn(C)c(=O)c2c1C CCCC[*:1] Cc1c(sc2ncn(C)c(=O)c12)C(=O)N[C@@H](C)C(=O)O[*:1]
CCCCOC(=O)[C@H](C)NC(=O)c1sc2ncn(C)c(=O)c2c1C CCC[*:1] Cc1c(sc2ncn(C)c(=O)c12)C(=O)N[C@@H](C)C(=O)OC[*:1]
C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)OC[*:1]
C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)O[*:1]
CCNC(=O)CN(C)c1nc(Cl)ncc1Br CCNC(=O)[*:1] CN(C[*:1])c1nc(Cl)ncc1Br
O=C(Nc1ccc[nH+]c1N1CCCC1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc[nH+]c1N1CCCC1)N1CCC(CC1)NS(=O)(=O)[*:1]
O=C(Nc1ccc[nH+]c1N1CCCC1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 C1CCN(C1)[*:1] O=C(Nc1ccc[nH+]c1[*:1])N1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc(-c4ccco4)o3)CC2)cc1 O=[N+]([O-])[*:1] c1coc(c1)-c1nnc(o1)C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc(-c4ccco4)o3)CC2)cc1 c1coc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)C[NH+]1CCC(CC1)c1nnc(o1)[*:1]
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1c(C)noc1C O=[N+]([O-])[*:1] CCc1ccc(cc1S(=O)(=O)N[C@H](C)c1c(C)noc1C)[*:1]
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] CCc1ccc(cc1S(=O)(=O)N[C@H](C)[*:1])[N+](=O)[O-]
COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc(Cl)c1OC(C)C CC(C)O[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)N1CCC[C@@H](C1)c1nc2ccccc2s1
COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc(Cl)c1OC(C)C CC(C)[*:1] COc1cc(cc(Cl)c1O[*:1])C(=O)N1CCC[C@@H](C1)c1nc2ccccc2s1
COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc(Cl)c1OC(C)C c1ccc2sc(nc2c1)[*:1] COc1cc(cc(Cl)c1OC(C)C)C(=O)N1CCC[C@H](C1)[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 c1coc(c1)[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)NC[C@@H]([NH+](C)C)[*:1]
CCc1c(C)sc(NC(=O)CC(c2ccccc2)c2ccccc2)c1C(N)=O NC(=O)[*:1] CCc1c(C)sc(NC(=O)CC(c2ccccc2)c2ccccc2)c1[*:1]
CCc1c(C)sc(NC(=O)CC(c2ccccc2)c2ccccc2)c1C(N)=O c1ccc(cc1)[*:1] CCc1c(C)sc(NC(=O)CC(c2ccccc2)[*:1])c1C(N)=O
COCC1CC[NH+](Cc2cc(C#N)cs2)CC1 COC[*:1] N#Cc1csc(c1)C[NH+]1CCC(CC1)[*:1]
COC(=O)CCCN(C)C(=O)c1ccc(Br)o1 COC(=O)C[*:1] CN(CC[*:1])C(=O)c1ccc(Br)o1
COC(=O)CCCN(C)C(=O)c1ccc(Br)o1 COC(=O)[*:1] CN(CCC[*:1])C(=O)c1ccc(Br)o1
COc1ccc(CNC(=O)c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(cc1)-c1ccc(nn1)N1CCOCC1
COc1ccc(CNC(=O)c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)CNC(=O)c1ccc(cc1)-c1ccc(nn1)[*:1]
COc1ccc(CNC(=O)c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(cc1)-c1ccc(nn1)N1CCOCC1
Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NCC(C1CC1)C1CC1 C1CC1[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NCC(C1CC1)[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NCC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NCC(C1CC1)C1CC1 Fc1ccc(c(F)c1)[*:1] Cc1nn(c(C)c1C(=O)NCC(C1CC1)C1CC1)[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NCC(C1CC1)C1CC1 C1CC1C(C[*:1])C1CC1 Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N[*:1]
CNC(=O)c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 CNC(=O)[*:1] FC(F)(F)c1ccnc(n1)Oc1ccc(cc1)[*:1]
CNC(=O)c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 FC(F)(F)[*:1] CNC(=O)c1ccc(cc1)Oc1nccc(n1)[*:1]
CC(=O)N[C@@H]1[C@H](c2ccccc2)Nc2ncnn2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@H](Nc2ncnn2[C@@H]1c1ccccc1)[*:1]
CC(=O)N[C@@H]1[C@H](c2ccccc2)Nc2ncnn2[C@@H]1c1ccccc1 CC(=O)N[*:1] c1ccc(cc1)[C@@H]1Nc2ncnn2[C@H](c2ccccc2)[C@@H]1[*:1]
CC(=O)N[C@@H]1[C@H](c2ccccc2)Nc2ncnn2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@@H](Nc2ncnn2[C@H]1[*:1])c1ccccc1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] Cc1nn(c(C)c1CN(C)C(=O)C=C[*:1])[C@@H]1CCS(=O)(=O)C1
C[C@@H]1CCCN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)c1cn(C)cc2-c1nn(c2=O)[*:1]
OCCN(Cc1ccccc1)c1cnc2ccccc2n1 OCC[*:1] c1ccc(cc1)CN(c1cnc2ccccc2n1)[*:1]
OCCN(Cc1ccccc1)c1cnc2ccccc2n1 c1ccc(cc1)[*:1] OCCN(C[*:1])c1cnc2ccccc2n1
OCCN(Cc1ccccc1)c1cnc2ccccc2n1 c1ccc(cc1)C[*:1] OCCN(c1cnc2ccccc2n1)[*:1]
CCON1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)CCc1ccc3c(c1)OCO3)CC2 COC(=O)[*:1] CCON1C(=O)C[C@H](C12CCN(CC2)C(=O)CCc1ccc2OCOc2c1)[*:1]
CCON1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)CCc1ccc3c(c1)OCO3)CC2 c1cc2OCOc2cc1C[*:1] CCON1C(=O)C[C@H](C(=O)OC)C12CCN(CC2)C(=O)C[*:1]
CCON1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)CCc1ccc3c(c1)OCO3)CC2 c1cc2OCOc2cc1[*:1] CCON1C(=O)C[C@H](C(=O)OC)C12CCN(CC2)C(=O)CC[*:1]
Cc1ccc(-c2nc(CNS(=O)(=O)N3CCOCC3)co2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NCc1coc(n1)[*:1])N1CCOCC1
CCO[C@H](C)c1noc(CNc2cccc(Cl)c2Cl)n1 CCO[C@H](C)[*:1] Clc1cccc(NCc2nc(no2)[*:1])c1Cl
CCO[C@H](C)c1noc(CNc2cccc(Cl)c2Cl)n1 CCO[*:1] C[C@H](c1noc(CNc2cccc(Cl)c2Cl)n1)[*:1]
Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C)cc1 Cc1ccccc1[*:1] Cc1ccc(/C=C/C(=O)OCC(=O)N[*:1])cc1
Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)COC(=O)C=C[*:1]
COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1 COc1ccc(cc1)[*:1] CN(C)c1ncc(c(n1)C1CCN(CC1)C(=O)C[C@H]1C=CCC1)[*:1]
COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1 CN(C)[*:1] COc1ccc(cc1)-c1cnc(nc1C1CCN(CC1)C(=O)C[C@H]1C=CCC1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(c2ccccc2)c2nc(C)cs2)cc1 CC(=O)N[*:1] Cc1csc(n1)N(C(=O)CN(C)S(=O)(=O)c1ccc(cc1)[*:1])c1ccccc1
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(c2ccccc2)c2nc(C)cs2)cc1 Cc1csc(n1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N(c1ccccc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(c2ccccc2)c2nc(C)cs2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N(c1nc(C)cs1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(c2ccccc2)c2nc(C)cs2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1csc(n1)N(C(=O)CN(C)S(=O)(=O)[*:1])c1ccccc1
CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H](C(N)=O)[*:1])C1
CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)C1 NC(=O)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H](c2ccccc2)[*:1])C1
CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)C1 CC(C)(C)[*:1] NC(=O)[C@@H]([NH2+]C[C@H]1CCCN(C1)C(=O)O[*:1])c1ccccc1
CCOc1cc(C=O)ccc1OC(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1cc(C=O)ccc1OC(=O)c1ccccc1[*:1]
CCOc1cc(C=O)ccc1OC(=O)c1ccccc1[N+](=O)[O-] CCO[*:1] O=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(c1)[*:1]
O=c1onc(-c2ccccc2)n1CCn1cccn1 c1ccc(cc1)[*:1] O=c1onc(n1CCn1cccn1)[*:1]
O=c1onc(-c2ccccc2)n1CCn1cccn1 c1cnn(c1)C[*:1] O=c1onc(-c2ccccc2)n1C[*:1]
O=c1onc(-c2ccccc2)n1CCn1cccn1 c1cnn(c1)[*:1] O=c1onc(-c2ccccc2)n1CC[*:1]
Cc1cc(NC(=O)C(=O)NCC(C)(C)c2ccccc2)ccc1-n1cnnn1 CC(C)(c1ccccc1)[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)C(=O)NC[*:1]
Cc1cc(NC(=O)C(=O)NCC(C)(C)c2ccccc2)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])NC(=O)C(=O)NCC(C)(C)c1ccccc1
Cc1cc(NC(=O)C(=O)NCC(C)(C)c2ccccc2)ccc1-n1cnnn1 c1ccc(cc1)[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)C(=O)NCC(C)(C)[*:1]
Cc1cncc(NC(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c1 CC(C)O[*:1] Cc1cncc(c1)NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1cncc(NC(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c1 CC(C)[*:1] Cc1cncc(c1)NC(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
Cc1cncc(NC(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c1 Cc1cncc(c1)[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)N[*:1]
CCCCCNC(=O)C(=O)N1CC[C@H](C)c2ccccc21 CCCC[*:1] C[C@H]1CCN(C(=O)C(=O)NC[*:1])c2ccccc21
CCCCCNC(=O)C(=O)N1CC[C@H](C)c2ccccc21 CCC[*:1] C[C@H]1CCN(C(=O)C(=O)NCC[*:1])c2ccccc21
CCCCCNC(=O)C(=O)N1CC[C@H](C)c2ccccc21 CCCCC[*:1] C[C@H]1CCN(C(=O)C(=O)N[*:1])c2ccccc21
CC[C@H](NC(=O)c1cc(CC(C)C)n[nH]1)c1c(C)nn(C)c1C CC(C)C[*:1] CC[C@H](NC(=O)c1cc(n[nH]1)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)c1cc(CC(C)C)n[nH]1)c1c(C)nn(C)c1C CC(C)[*:1] CC[C@H](NC(=O)c1cc(C[*:1])n[nH]1)c1c(C)nn(C)c1C
Cc1ccccc1-c1nnc(SCCCc2cnn(C)c2)n1C Cn1cc(cn1)C[*:1] Cc1ccccc1-c1nnc(SCC[*:1])n1C
Cc1ccccc1-c1nnc(SCCCc2cnn(C)c2)n1C Cc1ccccc1[*:1] Cn1cc(cn1)CCCSc1nnc(n1C)[*:1]
Cc1ccccc1-c1nnc(SCCCc2cnn(C)c2)n1C Cn1cc(cn1)[*:1] Cc1ccccc1-c1nnc(SCCC[*:1])n1C
CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1Br CCO[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCCCC1)c1ccc(c(Br)c1)[*:1]
CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1Br O=C(N1CCCCC1)[*:1] CCOc1ccc(cc1Br)C(=O)Nc1ccc(cc1)[*:1]
CS[C@@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 CS[C@@H](C)[*:1] O=C(N1CCC[C@@H](C1)n1cc[nH+]c1)[*:1]
O=C(O[C@H](c1ccccc1)c1nccs1)c1ccnc(Cl)c1 c1csc(n1)[*:1] O=C(O[C@H](c1ccccc1)[*:1])c1ccnc(Cl)c1
O=C(O[C@H](c1ccccc1)c1nccs1)c1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] O=C(O[C@H](c1ccccc1)c1nccs1)[*:1]
O=C(O[C@H](c1ccccc1)c1nccs1)c1ccnc(Cl)c1 c1ccc(cc1)[*:1] O=C(O[C@H](c1nccs1)[*:1])c1ccnc(Cl)c1
C[C@H](OC(=O)COc1ccc2c(c1)CCC(=O)N2)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)COc1ccc2NC(=O)CCc2c1)[*:1]
Cc1cc(-c2csc(NC(=O)c3cccnc3)n2)ccc1F c1cncc(c1)[*:1] Cc1cc(ccc1F)-c1csc(n1)NC(=O)[*:1]
O=C([O-])Cc1ccc(CBr)cc1 O=C([O-])[*:1] BrCc1ccc(cc1)C[*:1]
O=C([O-])Cc1ccc(CBr)cc1 O=C([O-])C[*:1] BrCc1ccc(cc1)[*:1]
CCN(C(=O)COc1ccc(C(C)=O)cc1OC)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)COc1ccc(cc1OC)C(C)=O)[*:1]
CCN(C(=O)COc1ccc(C(C)=O)cc1OC)c1ccccc1 CC(=O)[*:1] CCN(C(=O)COc1ccc(cc1OC)[*:1])c1ccccc1
COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CN(C(=O)[C@H](C)O[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 Fc1ccc(cc1)O[*:1] COc1ccc(cc1)CN(C(=O)[C@H](C)[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)C[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC[NH+]1CCN(Cc2ccc(CNS(N)(=O)=O)cc2)CC1 NS(=O)(=O)N[*:1] CC[NH+]1CCN(CC1)Cc1ccc(cc1)C[*:1]
CC[NH+]1CCN(Cc2ccc(CNS(N)(=O)=O)cc2)CC1 NS(=O)(=O)NC[*:1] CC[NH+]1CCN(CC1)Cc1ccc(cc1)[*:1]
C[C@@]1(c2ccccc2)Nc2ncc(Br)cc2NC1=O c1ccc(cc1)[*:1] C[C@]1(Nc2ncc(Br)cc2NC1=O)[*:1]
O=C(NCCNC(=O)c1cccc2ncccc12)c1cccnc1 c1cncc(c1)[*:1] O=C(NCCNC(=O)[*:1])c1cccc2ncccc12
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] CCN(CC)S(=O)(=O)c1ccc(OC)c(c1)C(=O)N(C)[*:1]
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)c2cccc(C)c2)c1 CCN(CC)S(=O)(=O)[*:1] COc1ccc(cc1C(=O)N(C)c1cccc(C)c1)[*:1]
Cc1c(C(=O)NC[C@H](C)C[NH+]2CCCC2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@H](C)C[NH+]1CCCC1
Cc1cscc1C(=O)Nc1cc2c(cc1N)OCO2 Cc1cscc1[*:1] Nc1cc2OCOc2cc1NC(=O)[*:1]
CC[C@@H](CCO)CNC(=O)Cc1ccc(Cl)cc1 OCC[*:1] CC[C@@H](CNC(=O)Cc1ccc(Cl)cc1)[*:1]
CC[C@@H](CCO)CNC(=O)Cc1ccc(Cl)cc1 CC[C@@H](CCO)[*:1] O=C(Cc1ccc(Cl)cc1)NC[*:1]
COc1ccc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 COc1ccc(cc1)[*:1] O=C(CCCN1C(=O)c2ccccc2C1=O)NC[*:1]
CCOc1ccc(CNC(=O)C2CCN(c3nccc(C)n3)CC2)cc1 Cc1ccnc(n1)[*:1] CCOc1ccc(cc1)CNC(=O)C1CCN(CC1)[*:1]
CCOc1ccc(CNC(=O)C2CCN(c3nccc(C)n3)CC2)cc1 CCO[*:1] Cc1ccnc(n1)N1CCC(CC1)C(=O)NCc1ccc(cc1)[*:1]
CCN(CC)c1ccc(C(=O)N[C@H](C(N)=O)c2ccccc2)cn1 CCN(CC)[*:1] NC(=O)[C@@H](NC(=O)c1ccc(nc1)[*:1])c1ccccc1
CCN(CC)c1ccc(C(=O)N[C@H](C(N)=O)c2ccccc2)cn1 c1ccc(cc1)[*:1] CCN(CC)c1ccc(cn1)C(=O)N[C@H](C(N)=O)[*:1]
CCN(CC)c1ccc(C(=O)N[C@H](C(N)=O)c2ccccc2)cn1 NC(=O)[*:1] CCN(CC)c1ccc(cn1)C(=O)N[C@H](c1ccccc1)[*:1]
Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCCN2CC[NH+](C)CC2)C3=O)o1 C1CCC(CC1)[*:1] Cc1cc2c(cc3C(=O)N(CCCN4CC[NH+](C)CC4)[C@@](C)(Cn32)C(=O)N[*:1])o1
Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCCN2CC[NH+](C)CC2)C3=O)o1 O=C(NC1CCCCC1)[*:1] Cc1cc2c(cc3C(=O)N(CCCN4CC[NH+](C)CC4)[C@](C)(Cn32)[*:1])o1
O=C([O-])Cn1c(SCCOc2ccccc2Cl)nc2ccccc21 Clc1ccccc1O[*:1] O=C([O-])Cn1c(nc2ccccc21)SCC[*:1]
O=C([O-])Cn1c(SCCOc2ccccc2Cl)nc2ccccc21 O=C([O-])C[*:1] Clc1ccccc1OCCSc1nc2ccccc2n1[*:1]
O=C([O-])Cn1c(SCCOc2ccccc2Cl)nc2ccccc21 Clc1ccccc1[*:1] O=C([O-])Cn1c(nc2ccccc21)SCCO[*:1]
O=C([O-])Cn1c(SCCOc2ccccc2Cl)nc2ccccc21 O=C([O-])[*:1] Clc1ccccc1OCCSc1nc2ccccc2n1C[*:1]
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] C#Cc1cccc(c1)NC(=S)NNC(=O)[C@@H](C)O[*:1]
C#Cc1cccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c1 C#Cc1cccc(c1)[*:1] C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NNC(=S)N[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)NCCc2nc3ccccc3[nH]2)cc1 CC(C)[*:1] C[C@H](NC(=O)NCCc1nc2ccccc2[nH]1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)NCCc2nc3ccccc3[nH]2)cc1 CC(C)O[*:1] C[C@H](NC(=O)NCCc1nc2ccccc2[nH]1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)NCCc2nc3ccccc3[nH]2)cc1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)NCC[*:1]
Cc1ccc(CNC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] Cc1ccc(CNC(=O)NNC(=O)[C@H](C)O[*:1])s1
Cc1ccc(CNC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)s1 Cc1ccc(s1)[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC[*:1]
Cc1ccc(CNC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)s1 Cc1ccc(C[*:1])s1 C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)N[*:1]
Cc1ccc(CNC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)s1 Fc1ccc(cc1)O[*:1] Cc1ccc(CNC(=O)NNC(=O)[C@H](C)[*:1])s1
COc1ccc(CC[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CC[NH+]1CCC(CC1)NC(=O)[*:1]
COc1ccc(CC[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)CC[*:1])c1ccc(F)cc1
CCc1cccc(C)c1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC O=C1CCS(=O)(=O)N1[*:1] CCc1cccc(C)c1NS(=O)(=O)c1cc(ccc1OC)[*:1]
CCc1cccc(C)c1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC CCc1cccc(C)c1[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])N1C(=O)CCS1(=O)=O
Cc1cc(C(=O)Nn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)ccc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nn1c(nc2ccccc2c1=O)[*:1]
Cc1cc(C(=O)Nn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)Nn1c(nc2ccccc2c1=O)-c1ccc(Cl)cc1
Cc1cc(C(=O)Nn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)ccc1[N+](=O)[O-] Cc1cc(ccc1[N+](=O)[O-])[*:1] O=C(Nn1c(nc2ccccc2c1=O)-c1ccc(Cl)cc1)[*:1]
CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@@H]1C CC(=O)N[*:1] C[C@H]1C[C@H]1NC(=O)CNC(=O)C[*:1]
CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@@H]1C CC(=O)NC[*:1] C[C@H]1C[C@H]1NC(=O)CNC(=O)[*:1]
CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@@H]1C C[C@H]1C[C@H]1[*:1] CC(=O)NCC(=O)NCC(=O)N[*:1]
COCC[C@H](C)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 COCC[*:1] C[C@H](C(=O)N1CCCN(CC1)C(=O)C(C)(C)C)[*:1]
COCC[C@H](C)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] COCC[C@H](C)C(=O)N1CCCN(CC1)C(=O)[*:1]
COCC[C@H](C)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 COC[*:1] C[C@@H](C[*:1])C(=O)N1CCCN(CC1)C(=O)C(C)(C)C
COCC[C@H](C)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 COCC[C@H](C)[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)[*:1]
O=C(COc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)NC1CC[NH+](CC1)C[*:1]
O=C(COc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])NC1CC[NH+](CC1)Cc1ccccc1
O=C(COc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(COc1ccc(Cl)cc1)NC1CC[NH+](CC1)[*:1]
O=C(COc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])NC1CC[NH+](CC1)Cc1ccccc1
CCn1nc(C)c(NC(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)NC(C)(C)C[NH+](C)C[*:1])c1C
CCn1nc(C)c(NC(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)c1C c1ccc(cc1)C[*:1] CCn1nc(C)c(NC(=O)NC(C)(C)C[NH+](C)[*:1])c1C
CC[C@H](NC(=O)NCCc1c[nH]c2cccc(C)c12)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)NCCc1c[nH]c2cccc(C)c12)[*:1]
CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2cc(OC)ccc2OC)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(OC)c(/C=N/n2c(n[nH]c2=S)[*:1])c1
CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2cc(OC)ccc2OC)cc1 CCO[*:1] COc1ccc(OC)c(/C=N/n2c(n[nH]c2=S)-c2ccc(cc2)[*:1])c1
Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=c1cc(CN2CCN(CC2)S(=O)(=O)[*:1])nc2sccn12
N#Cc1ccc(OC[C@H](O)CN2CCOCC2)cc1 C1CN(CCO1)[*:1] N#Cc1ccc(cc1)OC[C@H](O)C[*:1]
Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 Cc1ccc(cc1)O[*:1] O=C(NCc1ccc2OCOc2c1)[C@@H]1CCCN(C1)c1nccnc1[*:1]
Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)[C@@H]1CCCN(C1)c1nccnc1O[*:1]
Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)Oc1nccnc1N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 c1cc2OCOc2cc1C[*:1] Cc1ccc(cc1)Oc1nccnc1N1CCC[C@H](C1)C(=O)N[*:1]
CC(C)CC[NH+]1CCSC(C)(C)C1 CC(C)[*:1] CC1(C)C[NH+](CCS1)CC[*:1]
CC(C)CC[NH+]1CCSC(C)(C)C1 CC(C)C[*:1] CC1(C)C[NH+](CCS1)C[*:1]
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](N2CC[NH+](C)CC2)C1 O=C([O-])[*:1] C[NH2+][C@]1(CC[C@@H](C1)N1CC[NH+](C)CC1)[*:1]
CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O c1ccc(cc1)[*:1] CC1(C)C[C@](C)(c2ccccc2N1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[*:1]
O=C(NC[C@H](O)c1cccc(OC(F)F)c1)c1cnns1 FC(F)O[*:1] O=C(NC[C@H](O)c1cccc(c1)[*:1])c1cnns1
O=C(NC[C@H](O)c1cccc(OC(F)F)c1)c1cnns1 c1nnsc1[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)[*:1]
O=C(NC[C@H](O)c1cccc(OC(F)F)c1)c1cnns1 FC(F)[*:1] O=C(NC[C@H](O)c1cccc(c1)O[*:1])c1cnns1
CCOC(=O)c1ccc(NC(=S)N2CCC[C@@H](C#N)C2)cc1 CCOC(=O)[*:1] N#C[C@@H]1CCCN(C1)C(=S)Nc1ccc(cc1)[*:1]
COc1ccccc1CNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 C1CC1[*:1] COc1ccccc1CNC(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
COc1ccccc1CNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] COc1ccccc1CNC(=O)N1CCN(CC1)[C@H](C)[*:1]
COc1ccccc1CNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 C[C@H](C(=O)NC1CC1)[*:1] COc1ccccc1CNC(=O)N1CCN(CC1)[*:1]
COc1ccccc1CNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 COc1ccccc1[*:1] C[C@H](C(=O)NC1CC1)N1CCN(CC1)C(=O)NC[*:1]
CC(C)C[NH+]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)CC1 CC(C)C[*:1] O=C(c1ccc(cc1)Cn1cnnn1)N1CCC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)CC1 c1nnnn1C[*:1] CC(C)C[NH+]1CCCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC(C)C[NH+]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)CC1 CC(C)[*:1] O=C(c1ccc(cc1)Cn1cnnn1)N1CCC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)CC1 c1nnnn1[*:1] CC(C)C[NH+]1CCCN(CC1)C(=O)c1ccc(cc1)C[*:1]
CCOC[C@H]1CCN(C(=O)COc2cc(F)ccc2F)C1 CCO[*:1] O=C(COc1cc(F)ccc1F)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)COc2cc(F)ccc2F)C1 CCOC[*:1] O=C(COc1cc(F)ccc1F)N1CC[C@@H](C1)[*:1]
CCOc1cc(CNC(=O)/C=C/c2ccc(F)cc2)ccc1OC Fc1ccc(cc1)[*:1] CCOc1cc(ccc1OC)CNC(=O)C=C[*:1]
CCOc1cc(CNC(=O)/C=C/c2ccc(F)cc2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])CNC(=O)/C=C/c1ccc(F)cc1
O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[*:1]
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] O=C(c1ccc(cc1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)C2CC2)CC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)C1CC1
CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O N#Cc1cccc(c1)[*:1] CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CC(C)Cn1c(=O)c2c(nc3n2CCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O c1ccc(cc1)O[*:1] CC(C)Cn1c(=O)c2c(nc3N(CCn32)c2ccc(cc2)[*:1])n(C)c1=O
CC(C)Cn1c(=O)c2c(nc3n2CCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O CC(C)C[*:1] Cn1c(=O)n(c(=O)c2c1nc1N(CCn12)c1ccc(cc1)Oc1ccccc1)[*:1]
CC(C)Cn1c(=O)c2c(nc3n2CCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O CC(C)[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc1N(CCn12)c1ccc(cc1)Oc1ccccc1
CC(C)Cn1c(=O)c2c(nc3n2CCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O c1ccc(cc1)[*:1] CC(C)Cn1c(=O)c2c(nc3N(CCn32)c2ccc(cc2)O[*:1])n(C)c1=O
Cc1ccc(-n2cnnc2SCc2nc(N)nc(N(C)C)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN(C)c1nc(N)nc(CSc2nncn2[*:1])n1
Cc1ccc(-n2cnnc2SCc2nc(N)nc(N(C)C)n2)c(C)c1 CN(C)[*:1] Cc1ccc(c(C)c1)-n1cnnc1SCc1nc(N)nc(n1)[*:1]
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N1CCOC[C@@H]1C Clc1ccc(cc1)[*:1] CO[C@H]([C@H](C)NC(=O)N1CCOC[C@@H]1C)[*:1]
CCOc1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc32)cc1 CCO[*:1] O=C(Nc1nc2c(CC[C@@H]2C(=O)Nc2ccc(cc2)[*:1])s1)c1ccccc1
CCOc1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc32)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)[C@H]1CCc2sc(nc21)NC(=O)[*:1]
CCOc1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc32)cc1 O=C(N[*:1])c1ccccc1 CCOc1ccc(cc1)NC(=O)[C@H]1CCc2sc(nc21)[*:1]
CCOc1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc32)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1nc2c(CC[C@@H]2C(=O)N[*:1])s1)c1ccccc1
CCNC(=O)NC(=O)CN(Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] CCNC(=O)NC(=O)CN(c1ccccc1)[*:1]
CCNC(=O)NC(=O)CN(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)CN(C[*:1])c1ccccc1
CCNC(=O)NC(=O)CN(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)CN(Cc1ccccc1)[*:1]
CCCCc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC)CC2)cc1 CCCC[*:1] CC[NH+]1CCN(CC1)[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCCCc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC)CC2)cc1 CCC[*:1] CC[NH+]1CCN(CC1)[C@H](C)C(=O)Nc1ccc(cc1)C[*:1]
COc1cccc(OC[C@H](C)O)c1 C[C@H](O)[*:1] COc1cccc(c1)OC[*:1]
COc1cccc(OC[C@H](C)O)c1 C[C@H](O)C[*:1] COc1cccc(c1)O[*:1]
Cc1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=S(=O)([N-]c1ccc2ccccc2c1)[*:1]
[O-]C1=NC(=S)S/C1=C/c1ccccc1OCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] [O-]C1=NC(=S)S/C1=C/c1ccccc1OC[*:1]
COc1ccc([C@@H]([NH2+]CCN2CCN(C(C)=O)CC2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(=O)N1CCN(CC[NH2+][C@@H](C(C)C)[*:1])CC1
COc1ccc([C@@H]([NH2+]CCN2CCN(C(C)=O)CC2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H]([NH2+]CCN1CCN(CC1)C(C)=O)[*:1]
CC(C)N1CCO[C@H]([C@H](O)c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CC(C)N1CCO[C@@H](C1)[C@H](O)c1cccc(c1)[*:1]
CC(C)N1CCO[C@H]([C@H](O)c2cccc(C(F)(F)F)c2)C1 CC(C)[*:1] O[C@H](c1cccc(c1)C(F)(F)F)[C@@H]1CN(CCO1)[*:1]
O=C(NC[C@@H]1CC[C@H](C(=O)[O-])O1)c1ccc(CO)cc1 O=C([O-])[*:1] O=C(NC[C@@H]1CC[C@H](O1)[*:1])c1ccc(cc1)CO
CC(C)OCC[NH+]1CCN(c2ncnc3c2cnn3C)CC1 CC(C)OCC[*:1] Cn1ncc2c(ncnc21)N1CC[NH+](CC1)[*:1]
CC(C)OCC[NH+]1CCN(c2ncnc3c2cnn3C)CC1 CC(C)O[*:1] Cn1ncc2c(ncnc21)N1CC[NH+](CC1)CC[*:1]
CC(C)OCC[NH+]1CCN(c2ncnc3c2cnn3C)CC1 CC(C)[*:1] Cn1ncc2c(ncnc21)N1CC[NH+](CCO[*:1])CC1
CC(C)OCC[NH+]1CCN(c2ncnc3c2cnn3C)CC1 CC(C)OC[*:1] Cn1ncc2c(ncnc21)N1CC[NH+](CC1)C[*:1]
CCOC(=O)C1(C(=O)C2CC2)CC2(CCCCC2)C1 O=C(C1CC1)[*:1] CCOC(=O)C1(CC2(CCCCC2)C1)[*:1]
CCOC(=O)C1(C(=O)C2CC2)CC2(CCCCC2)C1 C1CC1[*:1] CCOC(=O)C1(CC2(CCCCC2)C1)C(=O)[*:1]
CCOC(=O)C1(C(=O)C2CC2)CC2(CCCCC2)C1 CCOC(=O)[*:1] O=C(C1CC1)C1(CC2(CCCCC2)C1)[*:1]
COCC[C@@H](C)C(=O)N(C)Cc1ccc(O)cc1 COCC[C@@H](C)[*:1] CN(Cc1ccc(O)cc1)C(=O)[*:1]
COCC[C@@H](C)C(=O)N(C)Cc1ccc(O)cc1 COC[*:1] C[C@H](C[*:1])C(=O)N(C)Cc1ccc(O)cc1
COCC[C@@H](C)C(=O)N(C)Cc1ccc(O)cc1 COCC[*:1] C[C@@H](C(=O)N(C)Cc1ccc(O)cc1)[*:1]
CC(C)C[NH+]1CCN(S(=O)(=O)c2cn(C)cn2)CC1 Cn1cnc(c1)[*:1] CC(C)C[NH+]1CCN(CC1)S(=O)(=O)[*:1]
CC(C)C[NH+]1CCN(S(=O)(=O)c2cn(C)cn2)CC1 CC(C)C[*:1] Cn1cnc(c1)S(=O)(=O)N1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCN(S(=O)(=O)c2cn(C)cn2)CC1 CC(C)[*:1] Cn1cnc(c1)S(=O)(=O)N1CC[NH+](CC1)C[*:1]
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] CCN(CC(=O)Nc1ccccc1[*:1])C(=O)c1ccccc1C(F)(F)F
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](c1ccccc1)C(C)C c1ccc(cc1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](C(C)C)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](c1ccccc1)C(C)C CC(C)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](c1ccccc1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](c1ccccc1)C(C)C Cc1noc(C)c1[*:1] CC(C)[C@@H](C(=O)N[C@H](C)[*:1])c1ccccc1
CC(=O)NNC(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C CN(C)S(=O)(=O)[*:1] CC(=O)NNC(=S)Nc1cc(ccc1C)[*:1]
CC(C)Oc1cncc(C(=O)NCC(C)(C)c2ccncc2)c1 CC(C)[*:1] CC(C)(CNC(=O)c1cncc(c1)O[*:1])c1ccncc1
CC(C)Oc1cncc(C(=O)NCC(C)(C)c2ccncc2)c1 c1cc(ccn1)[*:1] CC(C)Oc1cncc(c1)C(=O)NCC(C)(C)[*:1]
CC(C)Oc1cncc(C(=O)NCC(C)(C)c2ccncc2)c1 CC(C)O[*:1] CC(C)(CNC(=O)c1cncc(c1)[*:1])c1ccncc1
COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2ccccc2Br)c1 Brc1ccccc1C[*:1] COc1ccc(OC)c(/C=C/C(=O)N(C)[*:1])c1
COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2ccccc2Br)c1 Brc1ccccc1[*:1] COc1ccc(OC)c(/C=C/C(=O)N(C)C[*:1])c1
O=C(NCCC1=CCCCC1)C1CCN(C(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCCC1=CCCCC1)C1CCN(CC1)C(=O)C[*:1]
O=C(NCCC1=CCCCC1)C1CCN(C(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(NCCC1=CCCCC1)C1CCN(CC1)C(=O)[*:1]
C[C@@H](Sc1nnnn1C1CC1)c1nnc(-c2ccc(F)cc2)o1 C1CC1[*:1] C[C@@H](Sc1nnnn1[*:1])c1nnc(o1)-c1ccc(F)cc1
C[C@@H](Sc1nnnn1C1CC1)c1nnc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] C[C@@H](Sc1nnnn1C1CC1)c1nnc(o1)[*:1]
CS(=O)(=O)[C@@H](c1ccccc1)c1ccncc1 CS(=O)(=O)[*:1] c1ccc(cc1)[C@@H](c1ccncc1)[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@H](C)c2oc3ccc(F)cc3c2C)n1 Cc1csc(n1)[*:1] Cc1c(oc2ccc(F)cc12)[C@@H](C)NC(=O)N[C@H](C)[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@H](C)c2oc3ccc(F)cc3c2C)n1 Cc1csc(n1)[C@@H](C)[*:1] Cc1c(oc2ccc(F)cc12)[C@@H](C)NC(=O)N[*:1]
CCOc1cc2c(cc1OCC)C[NH+](Cc1nc(-c3ccsc3)no1)CC2 CCO[*:1] CCOc1cc2CC[NH+](Cc3nc(no3)-c3ccsc3)Cc2cc1[*:1]
CCOc1cc2c(cc1OCC)C[NH+](Cc1nc(-c3ccsc3)no1)CC2 c1cc(cs1)[*:1] CCOc1cc2CC[NH+](Cc3nc(no3)[*:1])Cc2cc1OCC
CCOc1cc2c(cc1OCC)C[NH+](Cc1nc(-c3ccsc3)no1)CC2 CCO[*:1] CCOc1cc2C[NH+](CCc2cc1[*:1])Cc1nc(no1)-c1ccsc1
COc1cc(CNc2ccncc2[N+](=O)[O-])cc(Br)c1OC O=[N+]([O-])[*:1] COc1cc(cc(Br)c1OC)CNc1ccncc1[*:1]
C[C@@H](Sc1ccccc1F)C(=O)NC(=O)NC1CC1 C1CC1[*:1] C[C@@H](Sc1ccccc1F)C(=O)NC(=O)N[*:1]
CC[C@@H](C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2)N1CCOCC1 CC[C@@H](N1CCOCC1)[*:1] CN(C)C(=O)N1CCn2nc(cc2C1)CNC(=O)[*:1]
CC[C@@H](C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@H](C(=O)NCc1cc2CN(CCn2n1)C(=O)N(C)C)[*:1]
C[NH+](C)CCOc1ccc(CN2CCOC[C@H]2C#N)cc1 C[NH+](C)CCO[*:1] N#C[C@@H]1COCCN1Cc1ccc(cc1)[*:1]
CC(C)(C(=O)N1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1 C1CC1[*:1] CC(C)(C(=O)N1CC[NH+](CC1)[*:1])c1cccc(C#N)c1
CCCN1C(=O)CCc2cc(NC(=O)NCC(=O)NC(C)C)ccc21 CC(C)NC(=O)C[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N[*:1]
CCCN1C(=O)CCc2cc(NC(=O)NCC(=O)NC(C)C)ccc21 CCC[*:1] CC(C)NC(=O)CNC(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NC(=O)NCC(=O)NC(C)C)ccc21 CC(C)NC(=O)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)NC[*:1]
CCCN1C(=O)CCc2cc(NC(=O)NCC(=O)NC(C)C)ccc21 CC(C)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)NCC(=O)N[*:1]
C=CCS/C(=N\c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] C=CCSC(=N[*:1])Nc1ccccc1
C=CCS/C(=N\c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] C=CCS/C(=N\c1ccccc1)N[*:1]
C=CCS/C(=N\c1ccccc1)Nc1ccccc1 C=CC[*:1] c1ccc(cc1)/N=C(/Nc1ccccc1)S[*:1]
O=S(=O)(NCC1CCN(c2nsc3ccccc23)CC1)c1ccccc1F c1ccc2c(nsc2c1)[*:1] O=S(=O)(NCC1CCN(CC1)[*:1])c1ccccc1F
O=S(=O)(NCC1CCN(c2nsc3ccccc23)CC1)c1ccccc1F Fc1ccccc1[*:1] O=S(=O)(NCC1CCN(CC1)c1nsc2ccccc12)[*:1]
CCC(=O)N(c1nnc(SCc2nc(CC)no2)s1)C1CC1 CCc1noc(n1)[*:1] CCC(=O)N(c1nnc(SC[*:1])s1)C1CC1
CCC(=O)N(c1nnc(SCc2nc(CC)no2)s1)C1CC1 C1CC1[*:1] CCC(=O)N(c1nnc(SCc2nc(CC)no2)s1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CCS[C@@H]1c1cccc(c1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 CCO[*:1] O=[N+]([O-])c1cccc(c1)[C@H]1SCCN1S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)N(CCC#N)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CC(C)N(CCC#N)C(=O)c1ccc(cc1)OC[*:1]
CC(C)N(CCC#N)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 N#CCC[*:1] CC(C)N(C(=O)c1ccc(cc1)OC[C@@H]1CCCO1)[*:1]
CC(C)N(CCC#N)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 N#CC[*:1] CC(C)N(C[*:1])C(=O)c1ccc(cc1)OC[C@@H]1CCCO1
CC(C)N(CCC#N)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] CC(C)N(CCC#N)C(=O)c1ccc(cc1)O[*:1]
CC(C)N(CCC#N)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 CC(C)[*:1] N#CCCN(C(=O)c1ccc(cc1)OC[C@@H]1CCCO1)[*:1]
CC(C)N(CCC#N)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)CO[*:1] CC(C)N(CCC#N)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(CCC(=O)NCc2ccc(Cn3ccnc3)cc2)o1 Cc1ccc(CC[*:1])o1 O=C(NCc1ccc(cc1)Cn1ccnc1)[*:1]
Cc1ccc(CCC(=O)NCc2ccc(Cn3ccnc3)cc2)o1 c1cn(cn1)[*:1] Cc1ccc(CCC(=O)NCc2ccc(cc2)C[*:1])o1
Cc1ccc(CCC(=O)NCc2ccc(Cn3ccnc3)cc2)o1 c1cn(cn1)C[*:1] Cc1ccc(CCC(=O)NCc2ccc(cc2)[*:1])o1
Cc1ccc(CCC(=O)NCc2ccc(Cn3ccnc3)cc2)o1 Cc1ccc(o1)[*:1] O=C(CC[*:1])NCc1ccc(cc1)Cn1ccnc1
Cc1ccc(CCC(=O)NCc2ccc(Cn3ccnc3)cc2)o1 Cc1ccc(C[*:1])o1 O=C(C[*:1])NCc1ccc(cc1)Cn1ccnc1
C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@@H]1CCO[C@@H]1C Clc1ccc(Cl)c(c1)[*:1] C[C@@H](n1nccc1NC(=O)[C@@H]1CCO[C@@H]1C)[*:1]
COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)on1 COc1cc(on1)[*:1] O=C(N1CCN(CC1)Cc1ccc2OCOc2c1)[*:1]
CC(C)NC(=O)CCNC(=O)N1CCOc2ccccc2C1 CC(C)NC(=O)[*:1] O=C(NCC[*:1])N1CCOc2ccccc2C1
CC(C)NC(=O)CCNC(=O)N1CCOc2ccccc2C1 CC(C)NC(=O)C[*:1] O=C(NC[*:1])N1CCOc2ccccc2C1
CC(C)NC(=O)CCNC(=O)N1CCOc2ccccc2C1 CC(C)[*:1] O=C(CCNC(=O)N1CCOc2ccccc2C1)N[*:1]
CC[NH2+][C@@H](C(OC)OC)[C@H]1CCOC2(CCC2)C1 COC(OC)[*:1] CC[NH2+][C@@H]([C@H]1CCOC2(CCC2)C1)[*:1]
O=C(NCc1nc(C2CC2)cs1)N1CCc2ccc(Cl)cc2C1 C1CC1[*:1] O=C(NCc1nc(cs1)[*:1])N1CCc2ccc(Cl)cc2C1
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]3(c3ccccc3)N3CCCN23)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](N3CCCN3[C@@]2(C1=O)c1ccccc1)[*:1]
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]3(c3ccccc3)N3CCCN23)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1[C@H]2C(=O)N(C(=O)[C@@]2(c2ccccc2)N2CCCN12)[*:1]
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]3(c3ccccc3)N3CCCN23)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1[C@H]2C(=O)N(C(=O)[C@]2(N2CCCN12)[*:1])c1ccc(cc1)OC
COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2ccc(OC)c(OC)c2)C1=O COc1ccc(cc1OC)[*:1] COc1ccc(cc1CN1C(=O)N[C@@](C)(C1=O)[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2ccc(OC)c(OC)c2)C1=O CC(=O)[*:1] COc1ccc(cc1CN1C(=O)N[C@](C)(C1=O)c1ccc(OC)c(c1)OC)[*:1]
CCn1cnnc1CNC(=O)c1cc(C2CC2)on1 C1CC1[*:1] CCn1cnnc1CNC(=O)c1cc(on1)[*:1]
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@H]1CCCO1 c1ccc(cc1)[*:1] Cc1nn(c(Oc2ccc(F)cc2)c1C[NH2+]C[C@H]1CCCO1)[*:1]
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@H]1CCCO1 Fc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(O[*:1])c1C[NH2+]C[C@H]1CCCO1
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]C[C@H]1CCCO1 Fc1ccc(cc1)O[*:1] Cc1nn(-c2ccccc2)c(c1C[NH2+]C[C@H]1CCCO1)[*:1]
O=C1OC(c2cccs2)=N/C1=C\c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C1OC(=N/C1=C\c1ccc(o1)[*:1])c1cccs1
O=C1OC(c2cccs2)=N/C1=C\c1ccc([N+](=O)[O-])o1 c1csc(c1)[*:1] O=C1OC(=N/C1=C\c1ccc(o1)[N+](=O)[O-])[*:1]
C=CCOc1ccc(C[NH+]2CCCN(c3cccnn3)CC2)cc1OC c1cnnc(c1)[*:1] C=CCOc1ccc(cc1OC)C[NH+]1CCCN(CC1)[*:1]
C=CCOc1ccc(C[NH+]2CCCN(c3cccnn3)CC2)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])C[NH+]1CCCN(CC1)c1cccnn1
C=CCOc1ccc(C[NH+]2CCCN(c3cccnn3)CC2)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])C[NH+]1CCCN(CC1)c1cccnn1
CS(=O)(=O)[C@H]1CC[C@@H](OC(=O)COc2ccc(F)c(Cl)c2)C1 CS(=O)(=O)[*:1] O=C(COc1ccc(F)c(Cl)c1)O[C@@H]1CC[C@@H](C1)[*:1]
Clc1ccc(OCc2nnnn2-c2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] Clc1ccc(OCc2nnnn2[*:1])c(Cl)c1
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C1CCCC2Nc3ccccc3N(C[*:1])[C@H](C=21)c1ccco1
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NC1CCCC1 c1coc(c1)[*:1] O=C(CN1c2ccccc2NC2CCCC(=O)C=2[C@H]1[*:1])NC1CCCC1
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CN1c2ccccc2NC2CCCC(=O)C=2[C@@H]1c1ccco1)N[*:1]
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NC1CCCC1 O=C(C[*:1])NC1CCCC1 O=C1CCCC2Nc3ccccc3N([C@H](C=21)c1ccco1)[*:1]
CC(C)(CCO)CNC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 OCC[*:1] CC(C)(CNC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1)[*:1]
CC(C)(CCO)CNC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 CC(C)(CCO)C[*:1] O=C(N[C@@H]1CCC[C@H]1c1ccc(F)cc1)N[*:1]
CC(C)(CCO)CNC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 CC(C)(CCO)[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@H]1c1ccc(F)cc1
CC(C)(CCO)CNC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(CCO)CNC(=O)N[C@@H]1CCC[C@@H]1[*:1]
CC[C@@H](NC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1)c1ccncc1 C[C@H]1C[C@@H]1[*:1] CC[C@@H](NC(=O)N(Cc1ccc(o1)[*:1])C1CC1)c1ccncc1
CC[C@@H](NC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1)c1ccncc1 C1CC1[*:1] CC[C@@H](NC(=O)N(Cc1ccc(o1)[C@H]1C[C@@H]1C)[*:1])c1ccncc1
CC[C@@H](NC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N(Cc1ccc(o1)[C@H]1C[C@@H]1C)C1CC1)[*:1]
Cc1ccc(-c2nc(SCC(=O)Nc3ccccc3C)nc([O-])c2C#N)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CSc1nc([O-])c(C#N)c(n1)[*:1]
Cc1ccc(-c2nc(SCC(=O)Nc3ccccc3C)nc([O-])c2C#N)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)-c1nc(nc([O-])c1C#N)SCC(=O)N[*:1]
Oc1ccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)cc1 Oc1ccc(cc1)[*:1] C(=C(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1)[*:1]
Oc1ccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Oc1ccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2[*:1])cc1
Cc1cccc(-n2ccn(CN3CC[NH+](C4CCCC4)CC3)c2=S)c1 Cc1cccc(c1)[*:1] S=c1n(ccn1[*:1])CN1CC[NH+](CC1)C1CCCC1
Cc1cccc(-n2ccn(CN3CC[NH+](C4CCCC4)CC3)c2=S)c1 C1CCC(C1)[*:1] Cc1cccc(c1)-n1ccn(CN2CC[NH+](CC2)[*:1])c1=S
CCN(CC(=O)Nc1ccc2c(c1)NC(=O)CO2)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC(=O)Nc1ccc2OCC(=O)Nc2c1)[*:1]
Cc1nc2ccc3nc(NC(=O)c4ccccc4F)sc3c2s1 Fc1ccccc1[*:1] Cc1nc2ccc3nc(NC(=O)[*:1])sc3c2s1
O=C([O-])c1cc(SCc2nc3ccccc3s2)ccn1 O=C([O-])[*:1] c1ccc2sc(CSc3ccnc(c3)[*:1])nc2c1
COc1ccc(CC(=O)N2CCN([C@H](C)C(N)=O)CC2)cc1 NC(=O)[*:1] COc1ccc(cc1)CC(=O)N1CCN(CC1)[C@H](C)[*:1]
COc1ccc(CC(=O)N2CCN([C@H](C)C(N)=O)CC2)cc1 C[C@H](C(N)=O)[*:1] COc1ccc(cc1)CC(=O)N1CCN(CC1)[*:1]
COc1ccccc1[C@@H](C)NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 COc1ccccc1[*:1] C[C@@H](NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CNC(=O)[C@H](NC(=O)COc1ccc(C)cc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CNC(=O)[C@H](NC(=O)COc1ccc(C)cc1)[*:1]
CNC(=O)[C@H](NC(=O)COc1ccc(C)cc1)c1ccc(F)c(F)c1 Cc1ccc(cc1)O[*:1] CNC(=O)[C@H](NC(=O)C[*:1])c1ccc(F)c(F)c1
CNC(=O)[C@H](NC(=O)COc1ccc(C)cc1)c1ccc(F)c(F)c1 CNC(=O)[*:1] Cc1ccc(cc1)OCC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
CNC(=O)[C@H](NC(=O)COc1ccc(C)cc1)c1ccc(F)c(F)c1 Cc1ccc(cc1)[*:1] CNC(=O)[C@H](NC(=O)CO[*:1])c1ccc(F)c(F)c1
CCOc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3Cl)c2=O)cc1 CCO[*:1] O=C(CSc1nccn(-c2ccc(cc2)[*:1])c1=O)Nc1ccccc1Cl
CCOc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3Cl)c2=O)cc1 Clc1ccccc1[*:1] CCOc1ccc(cc1)-n1ccnc(SCC(=O)N[*:1])c1=O
CCOc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3Cl)c2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(CSc1nccn(c1=O)[*:1])Nc1ccccc1Cl
O=C(NCCN1C(=O)CCC1=O)c1cc([N+](=O)[O-])ccc1Cl O=C1CCC(=O)N1[*:1] O=C(NCC[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
O=C(NCCN1C(=O)CCC1=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(NCCN1C(=O)CCC1=O)c1cc(ccc1Cl)[*:1]
C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1nc2ccccc2n1[*:1]
COc1ccc(C(=O)NNc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1 COc1ccc(cc1)[*:1] Cc1cc(cc(C)c1Cl)Oc1ncnc(NNC(=O)[*:1])c1N
COc1ccc(C(=O)NNc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1 Cc1cc(cc(C)c1Cl)[*:1] COc1ccc(cc1)C(=O)NNc1ncnc(O[*:1])c1N
CC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)C(=O)N[*:1]
CN(C)c1nc(N)nc(CN2CCC[C@@H]2C[NH+]2CCCC2)n1 CN(C)[*:1] Nc1nc(CN2CCC[C@@H]2C[NH+]2CCCC2)nc(n1)[*:1]
O=C(OCc1nnc(-c2ccccc2)o1)[C@@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(OCc1nnc(o1)[*:1])[C@@H]1CCCc2ccccc21
Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C1CCCC1)CCCO2 O[C@@H](C1CCCC1)[*:1] Cc1ccc2OCCC[C@@H]([NH2+]C[*:1])c2c1
Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C1CCCC1)CCCO2 C1CCC(C1)[*:1] Cc1ccc2OCCC[C@@H]([NH2+]C[C@@H](O)[*:1])c2c1
Cc1cccc([C@H](Cc2nc(C(C)(C)C)cs2)C(=O)[O-])c1 O=C([O-])[*:1] Cc1cccc(c1)[C@H](Cc1nc(cs1)C(C)(C)C)[*:1]
Cc1cccc([C@H](Cc2nc(C(C)(C)C)cs2)C(=O)[O-])c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@H](Cc1nc(cs1)[*:1])C(=O)[O-]
Cc1cccc([C@H](Cc2nc(C(C)(C)C)cs2)C(=O)[O-])c1 Cc1cccc(c1)[*:1] CC(C)(C)c1csc(C[C@H](C(=O)[O-])[*:1])n1
CCCCC(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1 CCC[*:1] CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)C[*:1]
CCCCC(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1 CCCC[*:1] CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)[*:1]
CCCCC(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1 CCCCC(=O)N[*:1] CN(Cc1ccccc1)C(=O)c1ccccc1[*:1]
CCCCC(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] CCCCC(=O)Nc1ccccc1C(=O)N(C)[*:1]
CCCCC(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] CCCCC(=O)Nc1ccccc1C(=O)N(C)C[*:1]
O=C(CSc1nc([O-])c2c(n1)CC[NH+](Cc1ccccc1)C2)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc([O-])c2C[NH+](CCc2n1)Cc1ccccc1)N[*:1]
O=C(CSc1nc([O-])c2c(n1)CC[NH+](Cc1ccccc1)C2)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc([O-])c2C[NH+](CCc2n1)C[*:1])Nc1ccccc1
O=C(CSc1nc([O-])c2c(n1)CC[NH+](Cc1ccccc1)C2)Nc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1nc([O-])c2C[NH+](CCc2n1)[*:1])Nc1ccccc1
O=C(CSc1nc([O-])c2c(n1)CC[NH+](Cc1ccccc1)C2)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] [O-]c1nc(nc2CC[NH+](Cc3ccccc3)Cc12)SC[*:1]
CC(C)CCN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CC(C)CCN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)N[*:1]
CC(C)CCN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)CCN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NC[*:1]
CC(C)CCN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccc(Cl)cc1 CC(C)CC[*:1] C[C@]1(Cn2c(cc3ccsc32)C(=O)N1[*:1])C(=O)NCc1ccc(Cl)cc1
CC(C)CCN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccc(Cl)cc1 CC(C)C[*:1] C[C@]1(Cn2c(cc3ccsc32)C(=O)N1C[*:1])C(=O)NCc1ccc(Cl)cc1
CC(C)CCN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccc(Cl)cc1 CC(C)[*:1] C[C@]1(Cn2c(cc3ccsc32)C(=O)N1CC[*:1])C(=O)NCc1ccc(Cl)cc1
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 Clc1ccc(cc1)O[*:1] CC(C)(C(=O)Nc1ccc2NC(=O)CCc2c1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)Nc1ccc2NC(=O)CCc2c1
CC(C)COc1ccccc1-c1cc(COc2cccc(N)c2)n[nH]1 Nc1cccc(c1)[*:1] CC(C)COc1ccccc1-c1cc(CO[*:1])n[nH]1
CC(C)COc1ccccc1-c1cc(COc2cccc(N)c2)n[nH]1 CC(C)C[*:1] Nc1cccc(c1)OCc1cc([nH]n1)-c1ccccc1O[*:1]
CC(C)COc1ccccc1-c1cc(COc2cccc(N)c2)n[nH]1 CC(C)[*:1] Nc1cccc(c1)OCc1cc([nH]n1)-c1ccccc1OC[*:1]
CC(C)COc1ccccc1-c1cc(COc2cccc(N)c2)n[nH]1 Nc1cccc(c1)O[*:1] CC(C)COc1ccccc1-c1cc(C[*:1])n[nH]1
CC(C)COc1ccccc1-c1cc(COc2cccc(N)c2)n[nH]1 CC(C)CO[*:1] Nc1cccc(c1)OCc1cc([nH]n1)-c1ccccc1[*:1]
CC[NH2+][C@@H](COC(C)C)C1CCCCC1 CC(C)OC[*:1] CC[NH2+][C@@H](C1CCCCC1)[*:1]
CC[NH2+][C@@H](COC(C)C)C1CCCCC1 CC(C)[*:1] CC[NH2+][C@@H](CO[*:1])C1CCCCC1
CC[NH2+][C@@H](COC(C)C)C1CCCCC1 CC(C)O[*:1] CC[NH2+][C@@H](C[*:1])C1CCCCC1
CCOC[C@@H]1CCCN(C(=O)c2sc3cccc(F)c3c2C)C1 CCOC[*:1] Cc1c(sc2cccc(F)c12)C(=O)N1CCC[C@H](C1)[*:1]
CCOC[C@@H]1CCCN(C(=O)c2sc3cccc(F)c3c2C)C1 CCO[*:1] Cc1c(sc2cccc(F)c12)C(=O)N1CCC[C@H](C1)C[*:1]
CC(C)(CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N1CCC[C@@H]1c1ccc2OCOc2c1)[*:1]
CC(C)(CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NC[*:1])N1CCC[C@@H]1c1ccc2OCOc2c1
CC(C)(CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)c1ccncc1 c1cc2OCOc2cc1[*:1] CC(C)(CNC(=O)N1CCC[C@H]1[*:1])c1ccncc1
C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@H](C)c1nc2ccccc2o1 Brc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N[C@H](C)c1nc2ccccc2o1
C[C@@H](Oc1cccc(Br)c1)C(=O)N[C@H](C)c1nc2ccccc2o1 Brc1cccc(c1)O[*:1] C[C@@H](NC(=O)[C@H](C)[*:1])c1nc2ccccc2o1
CC(C)[NH+](Cc1csc(-c2cnn(C)c2)n1)C1CCOCC1 CC(C)[*:1] Cn1cc(cn1)-c1nc(cs1)C[NH+](C1CCOCC1)[*:1]
CC(C)[NH+](Cc1csc(-c2cnn(C)c2)n1)C1CCOCC1 Cn1cc(cn1)[*:1] CC(C)[NH+](Cc1csc(n1)[*:1])C1CCOCC1
CC(C)[NH+](Cc1csc(-c2cnn(C)c2)n1)C1CCOCC1 C1CC(CCO1)[*:1] CC(C)[NH+](Cc1csc(n1)-c1cnn(C)c1)[*:1]
CCCc1ncc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)s1 CCC[*:1] NC(=O)[C@H]1CCN(C(=O)c2cnc(s2)[*:1])c2ccccc21
CCCc1ncc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)s1 NC(=O)[*:1] CCCc1ncc(s1)C(=O)N1CC[C@H](c2ccccc21)[*:1]
O=C(NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O)c1cccnc1 O=C1CCCN1[*:1] O=C(NC[C@@H](Cc1cccc(F)c1)[*:1])c1cccnc1
O=C(NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O)c1cccnc1 c1cncc(c1)[*:1] O=C1CCCN1[C@@H](CNC(=O)[*:1])Cc1cccc(F)c1
O=C(NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O)c1cccnc1 Fc1cccc(c1)[*:1] O=C(NC[C@@H](C[*:1])N1CCCC1=O)c1cccnc1
O=C(NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O)c1cccnc1 Fc1cccc(c1)C[*:1] O=C(NC[C@@H](N1CCCC1=O)[*:1])c1cccnc1
Cc1nnc2ccc(C(=O)N[C@@H](C)c3noc(Cc4ccccc4)n3)cn12 c1ccc(cc1)[*:1] Cc1nnc2ccc(cn12)C(=O)N[C@@H](C)c1noc(C[*:1])n1
Cc1nnc2ccc(C(=O)N[C@@H](C)c3noc(Cc4ccccc4)n3)cn12 c1ccc(cc1)C[*:1] Cc1nnc2ccc(cn12)C(=O)N[C@@H](C)c1noc(n1)[*:1]
C[C@@H](NC(=O)N[C@H](CO)Cc1ccccc1)c1ccc2c(c1)OCCO2 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)N[C@H](CO)[*:1])c1ccc2OCCOc2c1
C[C@@H](NC(=O)N[C@H](CO)Cc1ccccc1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@H](CO)C[*:1])c1ccc2OCCOc2c1
CN(C[C@H](O)c1c(F)cccc1F)OCc1ccccc1 c1ccc(cc1)[*:1] CN(C[C@H](O)c1c(F)cccc1F)OC[*:1]
CN(C[C@H](O)c1c(F)cccc1F)OCc1ccccc1 c1ccc(cc1)C[*:1] CN(C[C@H](O)c1c(F)cccc1F)O[*:1]
O=C(CCl)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 O=C(CCl)N[*:1] O=S1(=O)C[C@H]([C@@H](C1)[*:1])N1CCOCC1
O=C(CCl)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 C1CN(CCO1)[*:1] O=C(CCl)N[C@@H]1CS(=O)(=O)C[C@@H]1[*:1]
Cc1ccc(CN2CCC(N3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] C[C@@H]1CN(CCO1)[*:1] Cc1ccc(cc1[N+](=O)[O-])CN1CCC(CC1)[*:1]
Cc1ccc(CN2CCC(N3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])CN1CCC(CC1)N1CCO[C@H](C)C1
CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O
CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O)[*:1]
CC(C)c1nnc(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)o1 CC(C)[*:1] C[C@@H]1C[C@H](CN1Cc1nnc(o1)[*:1])c1ccc(F)cc1
CC(C)c1nnc(CN2C[C@H](c3ccc(F)cc3)C[C@H]2C)o1 Fc1ccc(cc1)[*:1] CC(C)c1nnc(CN2C[C@H](C[C@H]2C)[*:1])o1
CC[C@@H](C(=O)N[C@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N[C@H](C)c1cc(OC)c(cc1F)OC)[*:1]
Nc1c(-c2ccccn2)nsc1C(=O)N1CCc2ccccc2C1 c1ccc(nc1)[*:1] Nc1c(nsc1C(=O)N1CCc2ccccc2C1)[*:1]
O=C(Nc1cccc(F)c1)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] O=C(Nc1cccc(F)c1)c1csc(n1)[*:1]
CCSC[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)nc1 CCSC[*:1] C[C@H](N(C)C(=O)c1ccc(nc1)C(F)(F)F)[*:1]
CCSC[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)nc1 FC(F)(F)[*:1] CCSC[C@H](C)N(C)C(=O)c1ccc(nc1)[*:1]
CCSC[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)nc1 CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccc(nc1)C(F)(F)F
Cc1cc(OCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1Cl O=[N+]([O-])[*:1] Cc1cc(ccc1Cl)OCC(=O)N1CCN(CC1)c1ccccc1[*:1]
Cc1cc(OCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
Cc1cc(OCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1Cl O=[N+]([O-])c1ccccc1[*:1] Cc1cc(ccc1Cl)OCC(=O)N1CCN(CC1)[*:1]
Cc1cc(OCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1Cl Cc1cc(ccc1Cl)O[*:1] O=C(C[*:1])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
NC(=S)[C@H]1CCCN1C(=O)N[C@H]1CCOC1 NC(=S)[*:1] O=C(N[C@H]1CCOC1)N1CCC[C@@H]1[*:1]
NC(=S)[C@H]1CCCN1C(=O)N[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] NC(=S)[C@H]1CCCN1C(=O)N[*:1]
CCc1cc(C(=O)N2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)on1 C1CC(C1)[*:1] CCc1cc(on1)C(=O)N1CCN(C(=O)[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
CCc1cc(C(=O)N2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)on1 CCc1cc(on1)[*:1] O=C(C1CCC1)N1CCN(C(=O)[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CCCOc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 CCCO[*:1] O=C(NCc1ccc2OCOc2c1)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCCOc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 c1cc2OCOc2cc1[*:1] CCCOc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NC[*:1]
CCCOc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 CCC[*:1] O=C(NCc1ccc2OCOc2c1)[C@H]1CC(=O)N(C1)c1ccc(cc1)O[*:1]
O=C(Nc1nnn[n-]1)c1cc(-c2ccncc2)nc2ccccc12 c1cc(ccn1)[*:1] O=C(Nc1nnn[n-]1)c1cc(nc2ccccc12)[*:1]
CCn1cc(S(=O)(=O)N[C@H](C)c2ccc(Cl)s2)cn1 Clc1ccc(s1)[*:1] CCn1cc(cn1)S(=O)(=O)N[C@H](C)[*:1]
COc1ccccc1[C@@H](NC(=O)N(C)Cc1cnccn1)C(C)(C)C CC(C)(C)[*:1] COc1ccccc1[C@@H](NC(=O)N(C)Cc1cnccn1)[*:1]
COc1ccccc1[C@@H](NC(=O)N(C)Cc1cnccn1)C(C)(C)C c1cnc(cn1)[*:1] COc1ccccc1[C@@H](NC(=O)N(C)C[*:1])C(C)(C)C
COc1ccccc1[C@@H](NC(=O)N(C)Cc1cnccn1)C(C)(C)C c1cnc(cn1)C[*:1] COc1ccccc1[C@@H](NC(=O)N(C)[*:1])C(C)(C)C
COc1ccccc1[C@@H](NC(=O)N(C)Cc1cnccn1)C(C)(C)C COc1ccccc1[*:1] CN(Cc1cnccn1)C(=O)N[C@@H](C(C)(C)C)[*:1]
Cc1ccc([N+](=O)[O-])c(NCCCN2CCOCC2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)NCCCN1CCOCC1)[*:1]
Cc1ccc([N+](=O)[O-])c(NCCCN2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1ccc(c(c1)NCCC[*:1])[N+](=O)[O-]
O=C(NCCCOC[C@H]1CCCO1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 C1CO[C@H](C1)CO[*:1] O=C(NCCC[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
O=C(NCCCOC[C@H]1CCCO1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 C1CO[C@H](C1)C[*:1] O=C(NCCCO[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
O=C(NCCCOC[C@H]1CCCO1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(NCCCOC[C@H]1CCCO1)N1CCO[C@@H](C1)[*:1]
O=C(NCCCOC[C@H]1CCCO1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 C1CO[C@H](C1)[*:1] O=C(NCCCOC[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
O=C(NCCCOC[C@H]1CCCO1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 C1CO[C@H](C1)COC[*:1] O=C(NCC[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
O=C(C1=Cc2cc(F)ccc2OC1)N(C[C@H]1CCCO1)c1ccncc1 c1cc(ccn1)[*:1] O=C(C1=Cc2cc(F)ccc2OC1)N(C[C@H]1CCCO1)[*:1]
COc1cc(F)cc(CNC(=O)c2cc(C(C)C)on2)c1 CC(C)[*:1] COc1cc(F)cc(c1)CNC(=O)c1cc(on1)[*:1]
CCOc1cccc([C@@H](C)NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)[C@@H](C)NC(=O)Nc1c(C)n(C)n(c1=O)[*:1]
CCOc1cccc([C@@H](C)NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 CCO[*:1] Cc1c(NC(=O)N[C@H](C)c2cccc(c2)[*:1])c(=O)n(-c2ccccc2)n1C
CCOc1cccc([C@@H](C)NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 CCOc1cccc(c1)[*:1] Cc1c(NC(=O)N[C@H](C)[*:1])c(=O)n(-c2ccccc2)n1C
O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)[C@@H]1C[C@H]1c1ccccc1 Clc1ccc(cc1)C[*:1] O=C(Nc1ccn(n1)[*:1])[C@@H]1C[C@H]1c1ccccc1
O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)[C@@H]1C[C@@H]1[*:1]
O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)[C@@H]1C[C@H]1c1ccccc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccn(C[*:1])n1)[C@@H]1C[C@H]1c1ccccc1
C=CCOc1ccc(Br)cc1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C1=O C=CCO[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cc(Br)ccc1[*:1]
C=CCOc1ccc(Br)cc1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C1=O C=CC[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cc(Br)ccc1O[*:1]
CCn1cc([C@@H]2CC(=O)N[C@H]3C2=C(C)NN3C2[NH+]=c3ccccc3=[NH+]2)cn1 CCn1cc(cn1)[*:1] CC1NN(C2[NH+]=c3ccccc3=[NH+]2)[C@H]2NC(=O)C[C@H](C=12)[*:1]
CC[C@@H](C)n1c([C@@H]([NH3+])CCSC)nc2ccccc21 CC[C@@H](C)[*:1] CSCC[C@H]([NH3+])c1nc2ccccc2n1[*:1]
CC[C@@H](C)n1c([C@@H]([NH3+])CCSC)nc2ccccc21 CSC[*:1] CC[C@@H](C)n1c(nc2ccccc21)[C@@H]([NH3+])C[*:1]
CC[C@@H](C)n1c([C@@H]([NH3+])CCSC)nc2ccccc21 CSCC[*:1] CC[C@@H](C)n1c(nc2ccccc21)[C@@H]([NH3+])[*:1]
Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+](C)Cc1nnc(C2CC2)n1C CC(C)(C)[*:1] Cn1nc(cc1NC(=O)C[NH+](C)Cc1nnc(C2CC2)n1C)[*:1]
Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+](C)Cc1nnc(C2CC2)n1C C1CC1[*:1] Cn1nc(cc1NC(=O)C[NH+](C)Cc1nnc(n1C)[*:1])C(C)(C)C
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)NC1CCN(CC1)C(=O)O[*:1]
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)N[C@H]3CCCc4ccccc43)C(C)C)ccc21 c1ccc2c(c1)CCC[C@@H]2[*:1] CCC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[C@H](C(=O)N[*:1])C(C)C
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)N[C@H]3CCCc4ccccc43)C(C)C)ccc21 CC(C)[*:1] CCC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[C@H](C(=O)N[C@H]1CCCc2ccccc21)[*:1]
Cc1nc(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c(C)c(C)[nH+]1 C1CC1[*:1] Cc1nc(c(C)c(C)[nH+]1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
O=C(c1csnn1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 c1snnc1[*:1] O=C(N1CCO[C@H](C1)c1ccc(Cl)cc1)[*:1]
COc1ccc(-c2c(C)nn3c2nnc2c(=O)n(-c4ccc(OC)cc4OC)ccc23)cc1 COc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)-n1ccc2c(nnc3c(c(C)nn32)[*:1])c1=O
COc1ccc(-c2c(C)nn3c2nnc2c(=O)n(-c4ccc(OC)cc4OC)ccc23)cc1 COc1ccc(c(c1)OC)[*:1] COc1ccc(cc1)-c1c(C)nn2c1nnc1c(=O)n(ccc12)[*:1]
C[C@]12CC[C@@H]3[C@@H](CCC4=C/C(=N\OCC(=O)N5CCC[C@@H]5C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2O O=C([O-])[C@H]1CCCN1C(=O)[*:1] C[C@]12CC[C@@H]3[C@@H](CCC4=C/C(CC[C@@]43C)=N\OC[*:1])[C@@H]1CC[C@@H]2O
C[C@]12CC[C@@H]3[C@@H](CCC4=C/C(=N\OCC(=O)N5CCC[C@@H]5C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2O O=C([O-])[*:1] C[C@]12CC[C@@H]3[C@@H](CCC4=C/C(CC[C@@]43C)=N\OCC(=O)N3CCC[C@H]3[*:1])[C@@H]1CC[C@@H]2O
O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1ccc(N2CCOCC2)[nH+]c1 C1CN(CCO1)[*:1] O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1ccc([nH+]c1)[*:1]
CCOCCn1/c(=N/C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2cccc(F)c21 O=[N+]([O-])[*:1] CCOCCn1/c(=N/C(=O)c2cc(cc(c2)[*:1])[N+](=O)[O-])sc2cccc(F)c21
CCOCCn1/c(=N/C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2cccc(F)c21 CCOCC[*:1] O=C(/N=c1\sc2cccc(F)c2n1[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
CCOCCn1/c(=N/C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2cccc(F)c21 CCOC[*:1] O=C(/N=c1\sc2cccc(F)c2n1C[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
CCOCCn1/c(=N/C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2cccc(F)c21 CCO[*:1] O=C(/N=c1\sc2cccc(F)c2n1CC[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
CCOC(=O)c1cnc2c(Br)cnn2c1C CCOC(=O)[*:1] Cc1c(cnc2c(Br)cnn12)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC1)CC(=O)N[*:1]
COc1ccc(NC(=O)CNC(=O)Cc2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)CNC(=O)C[*:1])c(Cl)c1
COc1ccc(NC(=O)CNC(=O)Cc2ccccc2)c(Cl)c1 c1ccc(cc1)C[*:1] COc1ccc(NC(=O)CNC(=O)[*:1])c(Cl)c1
CC(=O)Nc1ccc(NCc2c(C)nn(C)c2Oc2cccnc2)cc1 c1cncc(c1)[*:1] CC(=O)Nc1ccc(cc1)NCc1c(C)nn(C)c1O[*:1]
CC(=O)Nc1ccc(NCc2c(C)nn(C)c2Oc2cccnc2)cc1 c1cncc(c1)O[*:1] CC(=O)Nc1ccc(cc1)NCc1c(C)nn(C)c1[*:1]
CC(=O)Nc1ccc(NCc2c(C)nn(C)c2Oc2cccnc2)cc1 CC(=O)N[*:1] Cc1nn(C)c(Oc2cccnc2)c1CNc1ccc(cc1)[*:1]
O=C([C@H]1COCCO1)N1CCc2sccc2[C@H]1c1cccs1 c1csc(c1)[*:1] O=C([C@H]1COCCO1)N1CCc2sccc2[C@@H]1[*:1]
O=C([C@H]1COCCO1)N1CCc2sccc2[C@H]1c1cccs1 C1CO[C@H](CO1)[*:1] O=C(N1CCc2sccc2[C@H]1c1cccs1)[*:1]
CC[C@@H](NC(=O)c1cscc1C)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](NC(=O)c1cscc1C)[*:1]
CC1=C(CC(=O)NCCCc2ccccc2)[C@@H](C)N=N1 c1ccc(cc1)[*:1] CC1N=N[C@H](C)C=1CC(=O)NCCC[*:1]
C[C@H](NC(=O)NCCn1cc[nH+]c1)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)NCCn1cc[nH+]c1)[*:1]
Cc1cc(NC(=O)N2CCC[NH+](CC3CCCCC3)CC2)no1 C1CCC(CC1)[*:1] Cc1cc(no1)NC(=O)N1CCC[NH+](CC1)C[*:1]
Cc1cc(NC(=O)N2CCC[NH+](CC3CCCCC3)CC2)no1 C1CCC(CC1)C[*:1] Cc1cc(no1)NC(=O)N1CCC[NH+](CC1)[*:1]
Cc1cc(NC(=O)N2CCC[NH+](CC3CCCCC3)CC2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])N1CCC[NH+](CC1)CC1CCCCC1
CCN(C(=O)C1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CCCC[C@@H]1C CC(C)(C)[*:1] CCN(C(=O)C1CCN(CC1)C(=O)[*:1])[C@@H]1CCCC[C@@H]1C
CSc1ccc(NC(=O)CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 CSc1ccc(cc1)[*:1] O=C(CN1CC[C@@H](C1)C[NH+]1CCCCC1)N[*:1]
CC(C)CN(CCC#N)C(=O)c1ccncc1C#CCO N#CC[*:1] CC(C)CN(C[*:1])C(=O)c1ccncc1C#CCO
CC(C)CN(CCC#N)C(=O)c1ccncc1C#CCO OCC#C[*:1] CC(C)CN(CCC#N)C(=O)c1ccncc1[*:1]
CC(C)CN(CCC#N)C(=O)c1ccncc1C#CCO N#CCC[*:1] CC(C)CN(C(=O)c1ccncc1C#CCO)[*:1]
CC(C)CN(CCC#N)C(=O)c1ccncc1C#CCO CC(C)C[*:1] N#CCCN(C(=O)c1ccncc1C#CCO)[*:1]
CC(C)CN(CCC#N)C(=O)c1ccncc1C#CCO CC(C)[*:1] N#CCCN(C[*:1])C(=O)c1ccncc1C#CCO
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1Oc1ccccc1 C1CN(CCO1)CC[*:1] O=[N+]([O-])c1c(ncnc1Oc1ccccc1)N[*:1]
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1Oc1ccccc1 C1CN(CCO1)C[*:1] O=[N+]([O-])c1c(ncnc1Oc1ccccc1)NC[*:1]
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1Oc1ccccc1 O=[N+]([O-])[*:1] c1ccc(cc1)Oc1ncnc(NCCN2CCOCC2)c1[*:1]
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NCCN1CCOCC1
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1Oc1ccccc1 C1CN(CCO1)[*:1] O=[N+]([O-])c1c(ncnc1Oc1ccccc1)NCC[*:1]
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1Oc1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1O[*:1])NCCN1CCOCC1
CNS(=O)(=O)Cc1cccc(CNC(=O)N2CCC[C@@H](C)C2)c1 CNS(=O)(=O)C[*:1] C[C@@H]1CCCN(C1)C(=O)NCc1cccc(c1)[*:1]
CNS(=O)(=O)Cc1cccc(CNC(=O)N2CCC[C@@H](C)C2)c1 CNS(=O)(=O)[*:1] C[C@@H]1CCCN(C1)C(=O)NCc1cccc(c1)C[*:1]
CCc1cc(C(=O)N2CCN([C@H](C(=O)OC)c3ccccc3Cl)CC2)sc1C COC(=O)[*:1] CCc1cc(sc1C)C(=O)N1CCN(CC1)[C@H](c1ccccc1Cl)[*:1]
CCc1cc(C(=O)N2CCN([C@H](C(=O)OC)c3ccccc3Cl)CC2)sc1C Clc1ccccc1[*:1] CCc1cc(sc1C)C(=O)N1CCN(CC1)[C@H](C(=O)OC)[*:1]
CCc1cc(C(=O)N2CCN([C@H](C(=O)OC)c3ccccc3Cl)CC2)sc1C CCc1cc(sc1C)[*:1] COC(=O)[C@H](c1ccccc1Cl)N1CCN(CC1)C(=O)[*:1]
CCC(CC)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 CCC(CC)[*:1] C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)[*:1]
CC(C)[NH+]1CCN(C(=O)[C@@H]2Cc3[nH+]c[nH]c3CN2)CC1 CC(C)[*:1] O=C([C@@H]1Cc2[nH+]c[nH]c2CN1)N1CC[NH+](CC1)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 CNC(=O)[*:1] CC(C)C[C@@H](NC(=O)N[C@H](C)c1cccc(c1)-n1cccn1)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NC(=O)N[C@H](C)c1cccc(c1)-n1cccn1
CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 CC(C)C[*:1] CNC(=O)[C@@H](NC(=O)N[C@H](C)c1cccc(c1)-n1cccn1)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H](C)c1cccc(c1)[*:1]
CCS(=O)(=O)c1cccc(NCc2ncc(-c3cccs3)o2)c1 c1csc(c1)[*:1] CCS(=O)(=O)c1cccc(c1)NCc1ncc(o1)[*:1]
CCS(=O)(=O)c1cccc(NCc2ncc(-c3cccs3)o2)c1 CCS(=O)(=O)[*:1] c1cc(cc(c1)[*:1])NCc1ncc(o1)-c1cccs1
Cc1ccccc1-n1c(SCc2ccccc2F)nnc1N1CCOCC1 Fc1ccccc1C[*:1] Cc1ccccc1-n1c(nnc1N1CCOCC1)S[*:1]
Cc1ccccc1-n1c(SCc2ccccc2F)nnc1N1CCOCC1 Fc1ccccc1CS[*:1] Cc1ccccc1-n1c(nnc1[*:1])N1CCOCC1
Cc1ccccc1-n1c(SCc2ccccc2F)nnc1N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])SCc1ccccc1F
Cc1ccccc1-n1c(SCc2ccccc2F)nnc1N1CCOCC1 Fc1ccccc1[*:1] Cc1ccccc1-n1c(nnc1N1CCOCC1)SC[*:1]
Cc1ccccc1-n1c(SCc2ccccc2F)nnc1N1CCOCC1 Cc1ccccc1[*:1] Fc1ccccc1CSc1nnc(N2CCOCC2)n1[*:1]
CC(=O)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(C)(C)C c1coc(c1)[*:1] CC(=O)N(CC(=O)N(C[C@H]1CCCO1)C[*:1])C(C)(C)C
CC(=O)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(C)(C)C c1coc(c1)C[*:1] CC(=O)N(CC(=O)N(C[C@H]1CCCO1)[*:1])C(C)(C)C
CC(=O)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(C)(C)C CC(C)(C)[*:1] CC(=O)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)[*:1]
CC(=O)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(C)(C)C CC(=O)N(C(C)(C)C)[*:1] O=C(C[*:1])N(Cc1ccco1)C[C@H]1CCCO1
CC(=O)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(C)(C)C C1CO[C@H](C1)C[*:1] CC(=O)N(CC(=O)N(Cc1ccco1)[*:1])C(C)(C)C
CC(=O)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(C)(C)C C1CO[C@H](C1)[*:1] CC(=O)N(CC(=O)N(Cc1ccco1)C[*:1])C(C)(C)C
CC(=O)N1CCC(CCC(=O)NCC2(c3ccccc3)CCCCCC2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CCC(=O)NCC2(CCCCCC2)[*:1])CC1
CC(=O)N1CCC(CCC(=O)NCC2(c3ccccc3)CCCCCC2)CC1 CC(=O)N1CCC(CC1)[*:1] O=C(CC[*:1])NCC1(CCCCCC1)c1ccccc1
O=C(NC1CC1)c1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1 O=C(NC1CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2cc(Br)ccc2[nH]1
O=C(NC1CC1)c1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1cc2cc(Br)ccc2[nH]1
N#C/C(=C\c1ccco1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 Fc1ccc(cc1)C[*:1] N#C/C(=C\c1ccco1)C(=O)Nc1ncc(s1)[*:1]
N#C/C(=C\c1ccco1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 c1coc(c1)[*:1] N#CC(=C[*:1])C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
N#C/C(=C\c1ccco1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] N#C/C(=C\c1ccco1)C(=O)Nc1ncc(C[*:1])s1
CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2ccncc2Cl)C1 CC(C)(C)[*:1] O=C(NCC[C@@H]1CCCN(C1)C(=O)O[*:1])c1ccncc1Cl
CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2ccncc2Cl)C1 Clc1cnccc1[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)[*:1])C1
Cc1cc2ncn(Cc3cc(C(=O)N[C@@H](C)c4cnn(C)c4)n[nH]3)c2cc1C Cn1cc(cn1)[*:1] Cc1cc2ncn(Cc3cc(n[nH]3)C(=O)N[C@@H](C)[*:1])c2cc1C
COC(=O)C1=C(C)NC(=O)N[C@H]1c1c(OC)ccc2ccccc12 COC(=O)[*:1] COc1ccc2ccccc2c1[C@@H]1NC(=O)NC(C)=C1[*:1]
CC[C@@H]1OCC[C@@H]1C[NH2+]C(C)C CC(C)[*:1] CC[C@@H]1OCC[C@@H]1C[NH2+][*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)OCCS(=O)(=O)N[C@@H]1COC[C@H]1[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CCO[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-] CC(C)O[*:1] O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-] CC(C)OCC[*:1] O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-] CC(C)OC[*:1] O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C[*:1]
COCC[C@@H](C)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 COCC[*:1] C[C@@H](C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1)[*:1]
COCC[C@@H](C)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 COCC[C@@H](C)[*:1] CC(C)(NC(=O)[*:1])c1ccc(Cl)c(Cl)c1
COCC[C@@H](C)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 COC[*:1] C[C@H](C[*:1])C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1
Cc1cc(C)c(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)c2nn(C[*:1])c(=O)c3ccccc23)c(C)c1
Cc1cc(C)c(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(C)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(NC(=O)c2nn(c(=O)c3ccccc23)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(N[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
Cn1ccc(N2CCC[NH2+][C@@H](C3CC3)C2)n1 C1CC1[*:1] Cn1ccc(n1)N1CCC[NH2+][C@@H](C1)[*:1]
COc1ccccc1[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)[NH+]1CCCC1 c1ccc2O[C@H](Cc2c1)[*:1] COc1ccccc1[C@H](CNC(=O)[*:1])[NH+]1CCCC1
COc1ccccc1[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)[NH+]1CCCC1 COc1ccccc1[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])[C@H]1Cc2ccccc2O1
Cc1noc(CN[C@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 Cc1noc(n1)[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@@H]1NC[*:1]
C[C@@H](NC(=O)CSc1nnnn1C)[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nnnn1C)[C@H](O)[*:1]
C[C@@H](NC(=O)CSc1nnnn1C)[C@H](O)c1ccc(Cl)cc1 Cn1nnnc1S[*:1] C[C@@H](NC(=O)C[*:1])[C@H](O)c1ccc(Cl)cc1
C[C@@H](NC(=O)CSc1nnnn1C)[C@H](O)c1ccc(Cl)cc1 Cn1nnnc1[*:1] C[C@@H](NC(=O)CS[*:1])[C@H](O)c1ccc(Cl)cc1
Cc1noc(C)c1C[C@H](C)N[C@H](C)c1nc2cc(Cl)ccc2n1C Cc1noc(C)c1C[*:1] C[C@H](N[C@H](C)c1nc2cc(Cl)ccc2n1C)[*:1]
Cc1noc(C)c1C[C@H](C)N[C@H](C)c1nc2cc(Cl)ccc2n1C Cc1noc(C)c1[*:1] C[C@@H](C[*:1])N[C@H](C)c1nc2cc(Cl)ccc2n1C
CC(C)[C@H](C)NC(=O)NCCCC[NH+]1CCCC1 CC(C)[C@H](C)[*:1] O=C(NCCCC[NH+]1CCCC1)N[*:1]
CC(C)[C@H](C)NC(=O)NCCCC[NH+]1CCCC1 CC(C)[*:1] C[C@H](NC(=O)NCCCC[NH+]1CCCC1)[*:1]
Cc1ccc(C2=NN(CC#N)C(=O)SC2)cc1 N#CC[*:1] Cc1ccc(cc1)C1CSC(=O)N(N=1)[*:1]
Cc1ccccc1-c1nnc(SCCc2ccccn2)o1 c1ccc(C[*:1])nc1 Cc1ccccc1-c1nnc(o1)SC[*:1]
Cc1ccccc1-c1nnc(SCCc2ccccn2)o1 Cc1ccccc1[*:1] c1ccc(CCSc2nnc(o2)[*:1])nc1
Cc1ccccc1-c1nnc(SCCc2ccccn2)o1 c1ccc(nc1)[*:1] Cc1ccccc1-c1nnc(o1)SCC[*:1]
Cc1cc(CN2CCN(C(=O)NC[C@H]3CCOC3)CC2)no1 C1C[C@@H](CO1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)NC[*:1])no1
Cc1cc(CN2CCN(C(=O)NC[C@H]3CCOC3)CC2)no1 Cc1cc(no1)[*:1] O=C(NC[C@H]1CCOC1)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)NC[C@H]3CCOC3)CC2)no1 C1C[C@@H](CO1)C[*:1] Cc1cc(CN2CCN(CC2)C(=O)N[*:1])no1
Cc1cc(CN2CCN(C(=O)NC[C@H]3CCOC3)CC2)no1 Cc1cc(C[*:1])no1 O=C(NC[C@H]1CCOC1)N1CCN(CC1)[*:1]
C[C@@H]1C[C@H]1c1ccc([C@H]2NC(=O)c3c(Cl)cccc3N2)o1 C[C@@H]1C[C@@H]1[*:1] O=C1N[C@@H](Nc2cccc(Cl)c21)c1ccc(o1)[*:1]
O=C(c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)[*:1] O=C(c1cnn2c1N[C@H](C[C@H]2C(F)F)c1ccccc1)N1N=C(C[C@]1(O)[*:1])C(F)F
O=C(c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F)N1N=C(C(F)F)C[C@@]1(O)C(F)F c1ccc(cc1)[*:1] O=C(c1cnn2c1N[C@@H](C[C@H]2C(F)F)[*:1])N1N=C(C[C@@]1(O)C(F)F)C(F)F
O=C(c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)[*:1] O=C(c1cnn2c1N[C@H](C[C@H]2C(F)F)c1ccccc1)N1N=C(C[C@@]1(O)C(F)F)[*:1]
O=C(c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)[*:1] O=C(c1cnn2c1N[C@H](C[C@@H]2[*:1])c1ccccc1)N1N=C(C[C@@]1(O)C(F)F)C(F)F
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C CN(C)C(=O)[*:1] CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C CC(C)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C CC(C)[C@@H](C)[*:1] CN(C)C(=O)c1ccccc1NC(=O)C(=O)N[*:1]
COc1cccc(NC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 COc1cccc(c1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CCC(CC1)N[*:1]
COc1cccc(NC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)NC1CCN(CC1)C(=O)c1cccc(c1)[*:1]
COC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 COC(=O)[*:1] O=C1c2ccccc2[C@@H]2SC[C@H](N12)[*:1]
Clc1nc(N[C@@H]2CC[NH2+]C2)c2scc(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] Clc1nc(N[C@@H]2CC[NH2+]C2)c2scc(c2n1)[*:1]
CO[C@@H]1CCC[C@H](OC(=O)c2csc(Cc3ccccc3)n2)C1 c1ccc(cc1)C[*:1] CO[C@@H]1CCC[C@@H](C1)OC(=O)c1csc(n1)[*:1]
CO[C@@H]1CCC[C@H](OC(=O)c2csc(Cc3ccccc3)n2)C1 c1ccc(cc1)[*:1] CO[C@@H]1CCC[C@@H](C1)OC(=O)c1csc(C[*:1])n1
Cc1nn(C)c(C)c1NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 Cc1nn(C)c(C)c1[*:1] O=C(Cn1cnc2sc3CCCc3c2c1=O)N[*:1]
CCOc1ccc2c(c1)CN(C(=O)C[C@H]1C=CCC1)CC2 CCO[*:1] O=C(C[C@H]1C=CCC1)N1CCc2ccc(cc2C1)[*:1]
COc1cc(/C=N/NC(=O)Cc2cccs2)cc(OC)c1OC c1csc(c1)C[*:1] COc1cc(/C=N/NC(=O)[*:1])cc(OC)c1OC
COc1cc(/C=N/NC(=O)Cc2cccs2)cc(OC)c1OC c1csc(c1)[*:1] COc1cc(/C=N/NC(=O)C[*:1])cc(OC)c1OC
COC(=O)Cn1cc(C[NH2+][C@H]2CCCc3cc(SC)ccc32)nn1 COC(=O)C[*:1] CSc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cn(nn1)[*:1]
COC(=O)Cn1cc(C[NH2+][C@H]2CCCc3cc(SC)ccc32)nn1 COC(=O)[*:1] CSc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cn(C[*:1])nn1
O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2[C@@]1(O)CC(=O)[*:1]
O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 Clc1ccc(cc1)C[*:1] O=C(C[C@@]1(O)C(=O)N(c2ccc(Cl)cc21)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccc(cc1)[*:1]
O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 Clc1ccc(cc1)[*:1] O=C(C[C@@]1(O)C(=O)N(C[*:1])c2ccc(Cl)cc21)c1ccc(cc1)[N+](=O)[O-]
CS(=O)(=O)c1ccc(NC(=O)c2cccnc2OCC(F)F)cc1 FC(F)CO[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)c1cccnc1[*:1]
CS(=O)(=O)c1ccc(NC(=O)c2cccnc2OCC(F)F)cc1 FC(F)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)c1cccnc1OC[*:1]
CS(=O)(=O)c1ccc(NC(=O)c2cccnc2OCC(F)F)cc1 FC(F)C[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)c1cccnc1O[*:1]
CS(=O)(=O)c1ccc(NC(=O)c2cccnc2OCC(F)F)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccnc1OCC(F)F
COC(=O)c1cccn1C1CCN(C(=O)c2cc(C)ccc2O)CC1 Cc1ccc(O)c(c1)[*:1] COC(=O)c1cccn1C1CCN(CC1)C(=O)[*:1]
COC(=O)c1cccn1C1CCN(C(=O)c2cc(C)ccc2O)CC1 COC(=O)[*:1] Cc1ccc(O)c(c1)C(=O)N1CCC(CC1)n1cccc1[*:1]
CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(O)cc2C)C1=O CCOC(=O)[*:1] Cc1cc(O)ccc1N1C(=O)C[C@H](SC[*:1])C1=O
CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(O)cc2C)C1=O CCOC(=O)CS[*:1] Cc1cc(O)ccc1N1C(=O)C[C@@H](C1=O)[*:1]
CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(O)cc2C)C1=O CCOC(=O)C[*:1] Cc1cc(O)ccc1N1C(=O)C[C@H](S[*:1])C1=O
CC[NH+](CC)[C@@H](C(=O)[O-])c1ccc(C2CC2)cc1 O=C([O-])[*:1] CC[NH+](CC)[C@@H](c1ccc(cc1)C1CC1)[*:1]
CC[NH+](CC)[C@@H](C(=O)[O-])c1ccc(C2CC2)cc1 C1CC1[*:1] CC[NH+](CC)[C@@H](C(=O)[O-])c1ccc(cc1)[*:1]
O=C(Nc1ccccc1Cl)N[C@H](CCCO)c1ccccc1 OCCC[*:1] O=C(Nc1ccccc1Cl)N[C@H](c1ccccc1)[*:1]
O=C(Nc1ccccc1Cl)N[C@H](CCCO)c1ccccc1 Clc1ccccc1[*:1] O=C(N[C@H](CCCO)c1ccccc1)N[*:1]
O=C(Nc1ccccc1Cl)N[C@H](CCCO)c1ccccc1 OCC[*:1] O=C(Nc1ccccc1Cl)N[C@H](C[*:1])c1ccccc1
O=C(Nc1ccccc1Cl)N[C@H](CCCO)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1Cl)N[C@H](CCCO)[*:1]
O=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 c1csc(c1)[*:1] O=C(c1ccc(cc1)-n1cccn1)N1CCN(CC1)Cc1nc(no1)[*:1]
O=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 c1cnn(c1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)Cc1nc(no1)-c1cccs1
O=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 c1csc(c1)-c1noc(n1)[*:1] O=C(c1ccc(cc1)-n1cccn1)N1CCN(CC1)C[*:1]
C[C@@H]([C@@H](C)[NH2+]Cc1ccc(C#N)cc1)n1cccn1 c1cnn(c1)[*:1] C[C@@H]([C@@H](C)[NH2+]Cc1ccc(C#N)cc1)[*:1]
COc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(COc2ccc(Cl)cc2)o1
COc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)c1ccc(CO[*:1])o1
COc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1 Clc1ccc(cc1)O[*:1] COc1ccc(cc1)NC(=O)c1ccc(C[*:1])o1
Cc1cccc(NC(=O)N2CCC(C(=O)NCC(=O)NCC(C)C)CC2)c1 CC(C)CNC(=O)C[*:1] Cc1cccc(c1)NC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCC(C(=O)NCC(=O)NCC(C)C)CC2)c1 CC(C)CNC(=O)[*:1] Cc1cccc(c1)NC(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1cccc(NC(=O)N2CCC(C(=O)NCC(=O)NCC(C)C)CC2)c1 CC(C)C[*:1] Cc1cccc(c1)NC(=O)N1CCC(CC1)C(=O)NCC(=O)N[*:1]
Cc1cccc(NC(=O)N2CCC(C(=O)NCC(=O)NCC(C)C)CC2)c1 Cc1cccc(c1)[*:1] CC(C)CNC(=O)CNC(=O)C1CCN(CC1)C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCC(C(=O)NCC(=O)NCC(C)C)CC2)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)N1CCC(CC1)C(=O)NCC(=O)NC[*:1]
CC(C)=CCSc1ccccc1C(=O)Nc1nc(CC(N)=O)cs1 NC(=O)[*:1] CC(C)=CCSc1ccccc1C(=O)Nc1nc(cs1)C[*:1]
CC(C)=CCSc1ccccc1C(=O)Nc1nc(CC(N)=O)cs1 CC(C)=C[*:1] NC(=O)Cc1csc(n1)NC(=O)c1ccccc1SC[*:1]
CC(C)=CCSc1ccccc1C(=O)Nc1nc(CC(N)=O)cs1 NC(=O)C[*:1] CC(C)=CCSc1ccccc1C(=O)Nc1nc(cs1)[*:1]
CC(C)=CCSc1ccccc1C(=O)Nc1nc(CC(N)=O)cs1 CC(C)=CC[*:1] NC(=O)Cc1csc(n1)NC(=O)c1ccccc1S[*:1]
CC(C)=CCSc1ccccc1C(=O)Nc1nc(CC(N)=O)cs1 CC(C)=CCS[*:1] NC(=O)Cc1csc(n1)NC(=O)c1ccccc1[*:1]
CC(C)N1C[C@H](C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1=O CC(C)[*:1] O=C(Nc1cccc(c1)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccc(F)cc1
CC(C)N1C[C@H](C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1=O Fc1ccc(cc1)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)NCc1cccc(c1)NC(=O)[*:1]
CN(Cc1ncn(-c2ccccc2)n1)Cc1nc2ccccc2o1 c1ccc(cc1)[*:1] CN(Cc1ncn(n1)[*:1])Cc1nc2ccccc2o1
O=C(CN1CCn2c(nnc2C2CC2)C1)N1CCC[C@@H]2CCCC[C@H]21 C1CC1[*:1] O=C(CN1CCn2c(C1)nnc2[*:1])N1CCC[C@@H]2CCCC[C@H]21
CC1(C)CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 c1cnn(c1)C[*:1] CC1(C)CCCC[C@H]1[NH2+]C[C@@H](O)[*:1]
CC1(C)CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 c1cnn(c1)[*:1] CC1(C)CCCC[C@H]1[NH2+]C[C@@H](O)C[*:1]
CC#CC(=O)N1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 Cc1ccccc1[*:1] CC#CC(=O)N1CCC[C@H](C1)N1CCN(CC1)[*:1]
CC#CC(=O)N1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 CC#C[*:1] Cc1ccccc1N1CCN(CC1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1c(/C=C(/C#N)C(=O)NCCc2ccc[nH]2)cc(C#N)n1C c1c[nH]c(c1)C[*:1] Cc1c(/C=C(/C#N)C(=O)NC[*:1])cc(C#N)n1C
Cc1c(/C=C(/C#N)C(=O)NCCc2ccc[nH]2)cc(C#N)n1C c1c[nH]c(c1)[*:1] Cc1c(/C=C(/C#N)C(=O)NCC[*:1])cc(C#N)n1C
Cc1c(/C=C(/C#N)C(=O)NCCc2ccc[nH]2)cc(C#N)n1C c1c[nH]c(c1)CC[*:1] Cc1c(/C=C(/C#N)C(=O)N[*:1])cc(C#N)n1C
CC1(COC(=O)c2ccc(-n3cccc3)nc2)COC1 CC1(COC1)C[*:1] O=C(O[*:1])c1ccc(nc1)-n1cccc1
CC1(COC(=O)c2ccc(-n3cccc3)nc2)COC1 CC1(COC1)[*:1] O=C(OC[*:1])c1ccc(nc1)-n1cccc1
CC1(COC(=O)c2ccc(-n3cccc3)nc2)COC1 c1ccn(c1)[*:1] CC1(COC1)COC(=O)c1ccc(nc1)[*:1]
CC(C)OC(=O)CCNC(=O)c1sc2cc(F)ccc2c1Cl CC(C)[*:1] O=C(CCNC(=O)c1sc2cc(F)ccc2c1Cl)O[*:1]
CC(C)OC(=O)CCNC(=O)c1sc2cc(F)ccc2c1Cl CC(C)OC(=O)[*:1] O=C(NCC[*:1])c1sc2cc(F)ccc2c1Cl
CC(C)OC(=O)CCNC(=O)c1sc2cc(F)ccc2c1Cl CC(C)OC(=O)C[*:1] O=C(NC[*:1])c1sc2cc(F)ccc2c1Cl
O=C([O-])[C@@H](Cc1ccc(F)cc1)C[C@H](O)C(F)(F)F O[C@H](C(F)(F)F)[*:1] O=C([O-])[C@@H](Cc1ccc(F)cc1)C[*:1]
O=C([O-])[C@@H](Cc1ccc(F)cc1)C[C@H](O)C(F)(F)F O=C([O-])[*:1] O[C@@H](C[C@H](Cc1ccc(F)cc1)[*:1])C(F)(F)F
O=C([O-])[C@@H](Cc1ccc(F)cc1)C[C@H](O)C(F)(F)F FC(F)(F)[*:1] O=C([O-])[C@@H](Cc1ccc(F)cc1)C[C@H](O)[*:1]
N#CCNC(=O)C[NH+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 N#CCNC(=O)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCC[NH+](CC1)C[*:1]
N#CCNC(=O)C[NH+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 N#CC[*:1] O=C(C[NH+]1CCCN(CC1)S(=O)(=O)c1ccc(F)cc1)N[*:1]
N#CCNC(=O)C[NH+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] N#CCNC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)[*:1]
COc1ccccc1/C=N/NC1=NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2C#N)N1 COc1ccccc1[*:1] N#Cc1cc(F)ccc1NC(=O)C[C@@H]1NC(=NC1=O)NN=C[*:1]
COc1ccccc1/C=N/NC1=NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2C#N)N1 N#Cc1cc(F)ccc1[*:1] COc1ccccc1/C=N/NC1=NC(=O)[C@H](CC(=O)N[*:1])N1
CCn1cc(Br)c(CNC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)n1 CCn1cc(Br)c(n1)[*:1] Cc1c(Cl)c(nn1CCC(=O)NC[*:1])C(F)(F)F
CCn1cc(Br)c(CNC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)n1 FC(F)(F)[*:1] CCn1cc(Br)c(CNC(=O)CCn2nc(c(Cl)c2C)[*:1])n1
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](Sc2nncn2C)C1 O=C([O-])[*:1] CC(C)[NH2+][C@]1(CCC[C@H](C1)Sc1nncn1C)[*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](Sc2nncn2C)C1 Cn1cnnc1[*:1] CC(C)[NH2+][C@]1(CCC[C@H](C1)S[*:1])C(=O)[O-]
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](Sc2nncn2C)C1 CC(C)[*:1] Cn1cnnc1S[C@@H]1CCC[C@@](C1)([NH2+][*:1])C(=O)[O-]
CC(C)[C@H](CNC(=O)NCc1nnc2ccccn12)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)NCc1nnc2ccccn12)[*:1]
CCC[C@H]1C[C@]2(CC[NH2+]C[C@@H]2c2ccccc2Br)CCO1 CCC[*:1] Brc1ccccc1[C@H]1C[NH2+]CC[C@@]12CCO[C@H](C2)[*:1]
CCC[C@H]1C[C@]2(CC[NH2+]C[C@@H]2c2ccccc2Br)CCO1 Brc1ccccc1[*:1] CCC[C@H]1C[C@]2(CC[NH2+]C[C@H]2[*:1])CCO1
CCOc1ccc(-c2n[nH]c3c2[C@H](c2cc(Br)c(O)c(OCC)c2)C(C#N)=C(N)O3)cc1 CCOc1ccc(cc1)[*:1] CCOc1cc(cc(Br)c1O)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(c21)[*:1]
CCOc1ccc(-c2n[nH]c3c2[C@H](c2cc(Br)c(O)c(OCC)c2)C(C#N)=C(N)O3)cc1 CCO[*:1] CCOc1ccc(cc1)-c1n[nH]c2OC(N)=C(C#N)[C@@H](c3cc(Br)c(O)c(c3)[*:1])c12
CCOc1ccc(-c2n[nH]c3c2[C@H](c2cc(Br)c(O)c(OCC)c2)C(C#N)=C(N)O3)cc1 CCO[*:1] CCOc1cc(cc(Br)c1O)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(cc3)[*:1])c21
CCN1C[C@@H](C(=O)N2CCOC[C@H]2C2CC2)CC1=O C1CC1[*:1] CCN1C[C@H](CC1=O)C(=O)N1CCOC[C@@H]1[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(CC1)[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2nccs2)CC1 Brc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)c1nccs1
C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCCO3)C(c1ccc(Cl)cc1)=N2 Clc1ccc(cc1)[*:1] C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc3OCCOc3c1)C(=N2)[*:1]
C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCCO3)C(c1ccc(Cl)cc1)=N2 c1cc2OCCOc2cc1[*:1] C[NH+]1CCC2(CC1)N=C(SCC(=O)N[*:1])C(=N2)c1ccc(Cl)cc1
COc1ccc(-c2cc(COC(=O)C[C@H]3CSc4ncc(C)c(=O)n43)no2)cc1 COc1ccc(cc1)[*:1] Cc1cnc2SC[C@H](CC(=O)OCc3cc(on3)[*:1])n2c1=O
N#Cc1c(Cl)nsc1N1CCCC[C@@H]1CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] N#Cc1c(Cl)nsc1N1CCCC[C@@H]1CNC(=O)[*:1]
O=C(NCc1cccc(CO)c1)C(=O)Nc1ccccc1C[NH+]1CCCC1 OCc1cccc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1C[NH+]1CCCC1
O=C(NCc1cccc(CO)c1)C(=O)Nc1ccccc1C[NH+]1CCCC1 OCc1cccc(c1)C[*:1] O=C(Nc1ccccc1C[NH+]1CCCC1)C(=O)N[*:1]
CC1(C)CCC[C@H]1NC(=O)NNc1ccc(-n2cccn2)nn1 c1cnn(c1)[*:1] CC1(C)CCC[C@H]1NC(=O)NNc1ccc(nn1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 Clc1ccc(cc1)O[*:1] CC(C)(C)n1nc2CS(=O)(=O)Cc2c1NC(=O)C(C)(C)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 CC(C)(C)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
O=C(C[NH+]1CCCCC1)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 Clc1cccc(c1)[*:1] O=C(C[NH+]1CCCCC1)N1CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
CN1C[C@H](c2cc(=O)[nH]c(N(C)CCc3ccccc3)n2)CC1=O c1ccc(cc1)[*:1] CN1C[C@@H](CC1=O)c1cc(=O)[nH]c(n1)N(C)CC[*:1]
CN1C[C@H](c2cc(=O)[nH]c(N(C)CCc3ccccc3)n2)CC1=O c1ccc(cc1)CC[*:1] CN1C[C@@H](CC1=O)c1cc(=O)[nH]c(n1)N(C)[*:1]
CN1C[C@H](c2cc(=O)[nH]c(N(C)CCc3ccccc3)n2)CC1=O c1ccc(cc1)C[*:1] CN1C[C@@H](CC1=O)c1cc(=O)[nH]c(n1)N(C)C[*:1]
Cc1cnc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cn1 Cc1cnc(cn1)[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)s1)[*:1]
Cc1cnc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cn1 Clc1ccc(s1)[*:1] Cc1cnc(cn1)C(=O)Nc1nc(cs1)[*:1]
CC(C)n1cnc2cc(C(=O)N3CCc4nn(C)c(=O)cc4C3)ccc21 CC(C)[*:1] Cn1nc2CCN(Cc2cc1=O)C(=O)c1ccc2c(c1)ncn2[*:1]
CCc1ccc(N2C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)[O-])C2=O)cc1 CCc1ccc(cc1)[*:1] CC(=O)N[C@H](CS[C@@H]1CC(=O)N(C1=O)[*:1])C(=O)[O-]
CCc1ccc(N2C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)[O-])C2=O)cc1 O=C([O-])[*:1] CCc1ccc(cc1)N1C(=O)C[C@@H](SC[C@@H](NC(C)=O)[*:1])C1=O
CCc1ccc(N2C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)[O-])C2=O)cc1 CC(=O)N[*:1] CCc1ccc(cc1)N1C(=O)C[C@@H](SC[C@@H](C(=O)[O-])[*:1])C1=O
COC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2Cl)CC1 COC[*:1] C[C@@H]([NH+]1CCN(CC1)CC(=O)Nc1ccc(F)cc1Cl)[*:1]
COc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(Br)cc4)n3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])-c1nsc(n1)NC(=O)c1ccc(Br)cc1
COc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(Br)cc4)n3)c2C)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)-n1nnc(-c2nsc(n2)NC(=O)[*:1])c1C
CCCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)[C@H](C)O[*:1]
CCCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 Cc1ccc(cc1)O[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)[C@H](C)[*:1]
CCCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 CCC[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)Nc1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 CCCC(=O)N[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(C[NH+]2CCC(n3cccn3)CC2)cc1O c1cnn(c1)[*:1] COc1ccc(cc1O)C[NH+]1CCC(CC1)[*:1]
COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCOc3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])NNC(=O)[C@@H]1CCOc2ccccc21
CCN1CCO[C@H](C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 CCN1CCO[C@H](C1)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)[*:1]
CCN1CCO[C@H](C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)C1 Cc1nccn1[*:1] CCN1CCO[C@@H](C1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
C=CCn1c(SCc2cccs2)nnc(-c2ccccc2)c1=O c1csc(c1)CS[*:1] C=CCn1c(nnc(-c2ccccc2)c1=O)[*:1]
C=CCn1c(SCc2cccs2)nnc(-c2ccccc2)c1=O c1csc(c1)C[*:1] C=CCn1c(nnc(-c2ccccc2)c1=O)S[*:1]
C=CCn1c(SCc2cccs2)nnc(-c2ccccc2)c1=O C=CC[*:1] O=c1c(nnc(SCc2cccs2)n1[*:1])-c1ccccc1
C=CCn1c(SCc2cccs2)nnc(-c2ccccc2)c1=O c1csc(c1)[*:1] C=CCn1c(nnc(-c2ccccc2)c1=O)SC[*:1]
C=CCn1c(SCc2cccs2)nnc(-c2ccccc2)c1=O c1ccc(cc1)[*:1] C=CCn1c(nnc(c1=O)[*:1])SCc1cccs1
O=C(NCCNC(=O)N1CCCN(c2nccs2)CC1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(NCC[*:1])N1CCCN(CC1)c1nccs1
O=C(NCCNC(=O)N1CCCN(c2nccs2)CC1)c1ccco1 c1coc(c1)[*:1] O=C(NCCNC(=O)[*:1])N1CCCN(CC1)c1nccs1
O=C(NCCNC(=O)N1CCCN(c2nccs2)CC1)c1ccco1 c1csc(n1)[*:1] O=C(NCCNC(=O)N1CCCN(CC1)[*:1])c1ccco1
C=CCNC(=O)[C@H](C)NC(=O)c1ccco1 C=CC[*:1] C[C@H](NC(=O)c1ccco1)C(=O)N[*:1]
C=CCNC(=O)[C@H](C)NC(=O)c1ccco1 c1coc(c1)[*:1] C=CCNC(=O)[C@H](C)NC(=O)[*:1]
Fc1cccc(C[C@H]2CCCN2Cc2nnc(-c3ccccc3F)o2)c1 Fc1cccc(c1)C[*:1] Fc1ccccc1-c1nnc(CN2CCC[C@@H]2[*:1])o1
Fc1cccc(C[C@H]2CCCN2Cc2nnc(-c3ccccc3F)o2)c1 Fc1ccccc1[*:1] Fc1cccc(c1)C[C@H]1CCCN1Cc1nnc(o1)[*:1]
Fc1cccc(C[C@H]2CCCN2Cc2nnc(-c3ccccc3F)o2)c1 Fc1cccc(c1)[*:1] Fc1ccccc1-c1nnc(CN2CCC[C@@H]2C[*:1])o1
COc1ncccc1C(=O)N1CCN(CCNC(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] COc1ncccc1C(=O)N1CCN(CCNC(=O)[*:1])CC1
COc1ncccc1C(=O)N1CCN(CCNC(=O)c2ccsc2)CC1 COc1ncccc1[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])c1ccsc1
COc1ncccc1C(=O)N1CCN(CCNC(=O)c2ccsc2)CC1 O=C(N[*:1])c1ccsc1 COc1ncccc1C(=O)N1CCN(CC1)CC[*:1]
CC(C)n1c(CNC(=O)c2ccn(-c3ccccc3F)n2)n[nH]c1=S CC(C)[*:1] O=C(NCc1n[nH]c(=S)n1[*:1])c1ccn(n1)-c1ccccc1F
CC(C)n1c(CNC(=O)c2ccn(-c3ccccc3F)n2)n[nH]c1=S Fc1ccccc1[*:1] CC(C)n1c(CNC(=O)c2ccn(n2)[*:1])n[nH]c1=S
N#C/C(=C\c1cccnc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 c1cncc(c1)[*:1] N#CC(=C[*:1])C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
N#C/C(=C\c1cccnc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] N#C/C(=C\c1cccnc1)C(=O)Nc1cccc(c1)[*:1]
CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@H](C)c2cccc3ccccc23)cc1 CCNS(=O)(=O)[*:1] C[C@@H](NC(=O)/C=C/c1ccc(cc1)[*:1])c1cccc2ccccc12
Cc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)Nc2nnc(C)s2)cc1 Cc1nnc(s1)[*:1] Cc1ccc(cc1)C(=O)Nc1nc2c(CCC[C@@H]2C(=O)N[*:1])s1
Cc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)Nc2nnc(C)s2)cc1 Cc1ccc(cc1)[*:1] Cc1nnc(NC(=O)[C@H]2CCCc3sc(nc32)NC(=O)[*:1])s1
Cc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)Nc2nnc(C)s2)cc1 Cc1nnc(NC(=O)[*:1])s1 Cc1ccc(cc1)C(=O)Nc1nc2c(CCC[C@H]2[*:1])s1
Cc1nn(-c2ccc([O-])nn2)c2c1[C@@H](c1ccccc1Br)CC(O)=N2 Brc1ccccc1[*:1] Cc1nn(-c2ccc([O-])nn2)c2N=C(O)C[C@H](c12)[*:1]
Cc1nn(-c2ccc([O-])nn2)c2c1[C@@H](c1ccccc1Br)CC(O)=N2 [O-]c1ccc(nn1)[*:1] Cc1nn(c2N=C(O)C[C@H](c3ccccc3Br)c12)[*:1]
CCCOc1ncccc1CNC(=O)Nc1nnc(C(C)(C)C)s1 CC(C)(C)[*:1] CCCOc1ncccc1CNC(=O)Nc1nnc(s1)[*:1]
CCCOc1ncccc1CNC(=O)Nc1nnc(C(C)(C)C)s1 CCC[*:1] CC(C)(C)c1nnc(NC(=O)NCc2cccnc2O[*:1])s1
CCCOc1ncccc1CNC(=O)Nc1nnc(C(C)(C)C)s1 CCCO[*:1] CC(C)(C)c1nnc(NC(=O)NCc2cccnc2[*:1])s1
CC(=O)c1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)/C=C/c3ccccc3)C2)s1 CC(=O)[*:1] Cc1ncc2CN(CCc2c1CNC(=O)/C=C/c1ccccc1)C(=O)c1ccc(s1)[*:1]
CC(=O)c1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)/C=C/c3ccccc3)C2)s1 O=C(/C=C/c1ccccc1)N[*:1] CC(=O)c1ccc(s1)C(=O)N1CCc2c(cnc(C)c2C[*:1])C1
CC(=O)c1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)/C=C/c3ccccc3)C2)s1 C(=C[*:1])c1ccccc1 CC(=O)c1ccc(s1)C(=O)N1CCc2c(cnc(C)c2CNC(=O)[*:1])C1
CC(=O)c1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)/C=C/c3ccccc3)C2)s1 CC(=O)c1ccc(s1)[*:1] Cc1ncc2CN(CCc2c1CNC(=O)/C=C/c1ccccc1)C(=O)[*:1]
CC(=O)c1ccc(C(=O)N2CCc3c(cnc(C)c3CNC(=O)/C=C/c3ccccc3)C2)s1 c1ccc(cc1)[*:1] CC(=O)c1ccc(s1)C(=O)N1CCc2c(cnc(C)c2CNC(=O)C=C[*:1])C1
Cc1csc(CN(C)C(=O)c2[nH]nc(C3CC3)c2Cl)n1 Cc1csc(n1)[*:1] CN(C[*:1])C(=O)c1[nH]nc(c1Cl)C1CC1
Cc1csc(CN(C)C(=O)c2[nH]nc(C3CC3)c2Cl)n1 C1CC1[*:1] Cc1csc(CN(C)C(=O)c2[nH]nc(c2Cl)[*:1])n1
COc1c(C)cnc(C[C@H](C[NH3+])c2ccccc2Cl)c1C Clc1ccccc1[*:1] COc1c(C)cnc(C[C@H](C[NH3+])[*:1])c1C
CN(C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)[C@@]1(CCN(Cc2ccccc2)C1)C(F)(F)F)[*:1]
CN(C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CCOCC1 FC(F)(F)[*:1] CN(C(=O)[C@@]1(CCN(Cc2ccccc2)C1)[*:1])C1CCOCC1
CN(C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CCOCC1 c1ccc(cc1)C[*:1] CN(C(=O)[C@@]1(CCN(C1)[*:1])C(F)(F)F)C1CCOCC1
CN(C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CCOCC1 c1ccc(cc1)[*:1] CN(C(=O)[C@@]1(CCN(C1)C[*:1])C(F)(F)F)C1CCOCC1
N[C@@H](c1ccc2c(c1)CCCO2)C(F)(F)C(F)F FC(F)[*:1] N[C@@H](c1ccc2OCCCc2c1)C(F)(F)[*:1]
N[C@@H](c1ccc2c(c1)CCCO2)C(F)(F)C(F)F FC(F)C(F)(F)[*:1] N[C@@H](c1ccc2OCCCc2c1)[*:1]
CCC(CC)N(C(=O)CN1CSCC1=O)c1ccc(C)c(C)c1 CCC(CC)[*:1] Cc1ccc(cc1C)N(C(=O)CN1CSCC1=O)[*:1]
CCC(CC)N(C(=O)CN1CSCC1=O)c1ccc(C)c(C)c1 O=C1CSCN1C[*:1] CCC(CC)N(C(=O)[*:1])c1ccc(C)c(C)c1
CCC(CC)N(C(=O)CN1CSCC1=O)c1ccc(C)c(C)c1 O=C1CSCN1[*:1] CCC(CC)N(C(=O)C[*:1])c1ccc(C)c(C)c1
O=C([O-])c1noc(-c2ccccc2C(F)(F)F)n1 O=C([O-])[*:1] FC(F)(F)c1ccccc1-c1nc(no1)[*:1]
O=C([O-])c1noc(-c2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] O=C([O-])c1noc(n1)-c1ccccc1[*:1]
O=C(c1cnn(-c2ccccc2)c1)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)[*:1] O=C(c1cnn(c1)-c1ccccc1)N(C[C@H]1CCCO1)C[*:1]
O=C(c1cnn(-c2ccccc2)c1)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)C[*:1] O=C(c1cnn(c1)-c1ccccc1)N(C[C@H]1CCCO1)[*:1]
O=C(c1cnn(-c2ccccc2)c1)N(Cc1cccs1)C[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(c1cnn(c1)[*:1])N(Cc1cccs1)C[C@H]1CCCO1
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(NC(C)=O)c2)cc1Cl CC(=O)N[*:1] COc1ccc(cc1Cl)S(=O)(=O)[N-]c1ccc(Cl)c(c1)[*:1]
Cc1ccc(C(C)C)cc1OCC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 CC(C)[*:1] Cc1ccc(cc1OCC(=O)N(C)[C@@H](C)c1ccc(cc1)-n1cncn1)[*:1]
Cc1ccc(C(C)C)cc1OCC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] Cc1ccc(cc1OCC(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1])C(C)C
COC(=O)c1c(NC(=O)c2ccccn2)sc(C)c1C c1ccc(nc1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C)c1C
COC(=O)c1c(NC(=O)c2ccccn2)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)c2ccccn2)c(c1C)[*:1]
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSc1ccc(F)c(F)c1 CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)CSc1ccc(F)c(F)c1)NC(=O)[*:1]
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSc1ccc(F)c(F)c1 CC(C)(C)C(=O)N[*:1] Cc1ccc(cc1NC(=O)CSc1ccc(F)c(F)c1)[*:1]
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] Cc1ccc(cc1NC(=O)CS[*:1])NC(=O)C(C)(C)C
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSc1ccc(F)c(F)c1 Fc1ccc(cc1F)S[*:1] Cc1ccc(cc1NC(=O)C[*:1])NC(=O)C(C)(C)C
COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCC(=O)N2CCOCC2)cc1 COC(=O)[*:1] CC1Nc2ncnn2[C@@H](C=1[*:1])c1ccc(cc1)OCC(=O)N1CCOCC1
COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCC(=O)N2CCOCC2)cc1 O=C(C[*:1])N1CCOCC1 COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(cc1)O[*:1]
COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCC(=O)N2CCOCC2)cc1 O=C(CO[*:1])N1CCOCC1 COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(cc1)[*:1]
COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCC(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(cc1)OC[*:1]
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1O C=CC[*:1] O=C(Cc1ccccc1O)N(Cc1ccc(Cl)s1)[*:1]
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1O Clc1ccc(s1)[*:1] C=CCN(C[*:1])C(=O)Cc1ccccc1O
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1O Oc1ccccc1[*:1] C=CCN(Cc1ccc(Cl)s1)C(=O)C[*:1]
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1O Clc1ccc(C[*:1])s1 C=CCN(C(=O)Cc1ccccc1O)[*:1]
CCOc1ccc([C@@H]([NH2+]C)[C@H]2C[C@@H]2C)c(Br)c1 CCO[*:1] C[NH2+][C@H](c1ccc(cc1Br)[*:1])[C@H]1C[C@@H]1C
CCC[C@H](O)CNC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 CCC[C@H](O)C[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(c1)N1CCCC1
CCC[C@H](O)CNC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 CCC[C@H](O)[*:1] C[C@@H](NC(=O)NC[*:1])c1cccc(c1)N1CCCC1
CCC[C@H](O)CNC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] CCC[C@H](O)CNC(=O)N[C@H](C)c1cccc(c1)[*:1]
CCC[C@H](O)CNC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 CCC[*:1] C[C@@H](NC(=O)NC[C@@H](O)[*:1])c1cccc(c1)N1CCCC1
O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC[C@H](c1c[nH]c2ccccc12)[*:1]
O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC[C@H](c1ccccc1)[*:1]
COc1cc(F)cc(CNC(=O)c2cc(NC(C)=O)ccc2F)c1 CC(=O)N[*:1] COc1cc(F)cc(c1)CNC(=O)c1cc(ccc1F)[*:1]
O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc(Br)cc1F C1CCC(C1)[*:1] O=C(COc1ccc(cc1)S(=O)(=O)N[*:1])Nc1ccc(Br)cc1F
O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc(Br)cc1F O=S(=O)(NC1CCCC1)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccc(Br)cc1F
O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] O=C(COc1ccc(cc1)S(=O)(=O)NC1CCCC1)N[*:1]
CSCC[C@@H](Nc1nc(C)nc2sc3c(c12)CCC3)C(=O)[O-] O=C([O-])[*:1] CSCC[C@@H](Nc1nc(C)nc2sc3CCCc3c12)[*:1]
CSCC[C@@H](Nc1nc(C)nc2sc3c(c12)CCC3)C(=O)[O-] CSC[*:1] Cc1nc(N[C@H](C[*:1])C(=O)[O-])c2c3CCCc3sc2n1
CSCC[C@@H](Nc1nc(C)nc2sc3c(c12)CCC3)C(=O)[O-] CSCC[*:1] Cc1nc(N[C@@H](C(=O)[O-])[*:1])c2c3CCCc3sc2n1
CS(=O)(=O)Nc1ccccc1CNC(=O)Nc1nccs1 CS(=O)(=O)N[*:1] O=C(NCc1ccccc1[*:1])Nc1nccs1
CS(=O)(=O)Nc1ccccc1CNC(=O)Nc1nccs1 c1csc(n1)[*:1] CS(=O)(=O)Nc1ccccc1CNC(=O)N[*:1]
Cc1csc(SCC(=O)NC2CCCCCCC2)n1 Cc1csc(n1)[*:1] O=C(CS[*:1])NC1CCCCCCC1
COc1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1Cl Brc1ccc(o1)[*:1] COc1ccc(cc1Cl)NC(=O)C=C[*:1]
C[C@H](CC(=O)[O-])NC(=O)[C@@H]1Cc2ccccc2O1 O=C([O-])C[*:1] C[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)[*:1]
C[C@H](CC(=O)[O-])NC(=O)[C@@H]1Cc2ccccc2O1 O=C([O-])[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1Cc2ccccc2O1
CN(C)C(=O)Nc1cccc(CNC(=O)/C=C/c2ccco2)c1 c1coc(c1)[*:1] CN(C)C(=O)Nc1cccc(c1)CNC(=O)C=C[*:1]
CN(C)C(=O)Nc1cccc(CNC(=O)/C=C/c2ccco2)c1 CN(C)C(=O)N[*:1] O=C(/C=C/c1ccco1)NCc1cccc(c1)[*:1]
CN(C)C(=O)Nc1cccc(CNC(=O)/C=C/c2ccco2)c1 C(=C[*:1])c1ccco1 CN(C)C(=O)Nc1cccc(c1)CNC(=O)[*:1]
CC(C)(O)CC[NH2+]C1(C)CCCC1 CC(C)(O)[*:1] CC1(CCCC1)[NH2+]CC[*:1]
O=C(Nc1ccnn1C1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1N[*:1] O=C(Nc1ccnn1C1CCCC1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(Nc1ccnn1C1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] O=C(Nc1ccnn1C1CCCC1)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
O=C(Nc1ccnn1C1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CCC(C1)[*:1] O=C(Nc1ccnn1[*:1])c1ccc(NC2CC2)c(c1)[N+](=O)[O-]
O=C(Nc1ccnn1C1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccnn1C1CCCC1)c1ccc(NC2CC2)c(c1)[*:1]
Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCCC[C@H]1[*:1]
Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 OCC[*:1] Cc1nn(c(C)c1C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)[*:1]
Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCCC[C@@H]1C[*:1]
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(c(C)c1)-n1nnnc1SCC(=O)Nc1ccccc1[*:1]
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C(C)C)c(C)c1 CC(C)c1ccccc1[*:1] Cc1ccc(c(C)c1)-n1nnnc1SCC(=O)N[*:1]
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C(C)C)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)c1ccccc1NC(=O)CSc1nnnn1[*:1]
CCC[NH2+]Cc1nnc([C@H]2Cc3ccccc3S2)s1 CCC[*:1] c1ccc2S[C@H](Cc2c1)c1nnc(C[NH2+][*:1])s1
COCc1ccccc1NC(=O)N[C@H]1CCC[C@H]1C(=O)OC COC(=O)[*:1] COCc1ccccc1NC(=O)N[C@H]1CCC[C@@H]1[*:1]
COCc1ccccc1NC(=O)N[C@H]1CCC[C@H]1C(=O)OC COC[*:1] COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1[*:1]
O=C(CSCc1ccccc1Cl)NCc1ccsc1 c1cc(cs1)C[*:1] O=C(CSCc1ccccc1Cl)N[*:1]
O=C(CSCc1ccccc1Cl)NCc1ccsc1 c1cc(cs1)[*:1] O=C(CSCc1ccccc1Cl)NC[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1 CC[C@H](C)NC(=O)[*:1] C[C@H](NC(=O)C(=O)Nc1nc(cs1)-c1ccccc1F)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1 CC[C@H](C)[*:1] C[C@H](NC(=O)C(=O)Nc1nc(cs1)-c1ccccc1F)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1nc(-c2ccccc2F)cs1 Fc1ccccc1[*:1] CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1nc(cs1)[*:1]
CCC(C)(C)N(C)S(=O)(=O)c1ccc(C#N)cc1C CCC(C)(C)[*:1] Cc1cc(C#N)ccc1S(=O)(=O)N(C)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2SCc2cc(=O)n3oc(C)cc3n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cc2nc(cc(=O)n2o1)CSc1ccccc1NS(=O)(=O)[*:1]
CCCN(CC(=O)N(C)C)C(=O)c1cnn(-c2ccccc2Cl)c1 CN(C)C(=O)C[*:1] CCCN(C(=O)c1cnn(c1)-c1ccccc1Cl)[*:1]
CCCN(CC(=O)N(C)C)C(=O)c1cnn(-c2ccccc2Cl)c1 CCC[*:1] CN(C)C(=O)CN(C(=O)c1cnn(c1)-c1ccccc1Cl)[*:1]
CCCN(CC(=O)N(C)C)C(=O)c1cnn(-c2ccccc2Cl)c1 Clc1ccccc1[*:1] CCCN(CC(=O)N(C)C)C(=O)c1cnn(c1)[*:1]
CCCN(CC(=O)N(C)C)C(=O)c1cnn(-c2ccccc2Cl)c1 CN(C)C(=O)[*:1] CCCN(C[*:1])C(=O)c1cnn(c1)-c1ccccc1Cl
CC(C)N(C[C@H]1CCCCO1)C(=O)CCCS(C)(=O)=O CC(C)[*:1] CS(=O)(=O)CCCC(=O)N(C[C@H]1CCCCO1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)CCCS(C)(=O)=O CS(=O)(=O)C[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)CC[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)CCCS(C)(=O)=O CS(=O)(=O)[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)CCC[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)CCCS(C)(=O)=O CS(=O)(=O)CC[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)C[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)CCCS(C)(=O)=O C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)CCCS(C)(=O)=O
CCCc1cc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)n(C)n1 Cc1cc(C)cc(c1)[*:1] CCCc1cc(NC(=O)CNC(=O)[*:1])n(C)n1
CCCc1cc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)n(C)n1 CCC[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)Nc1cc(nn1C)[*:1]
CCOc1ccc(NC(=O)NCC(C)C)c(C)c1 CC(C)[*:1] CCOc1ccc(NC(=O)NC[*:1])c(C)c1
CCOc1ccc(NC(=O)NCC(C)C)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)NCC(C)C)[*:1]
CCOc1ccc(NC(=O)NCC(C)C)c(C)c1 CC(C)C[*:1] CCOc1ccc(NC(=O)N[*:1])c(C)c1
[NH3+]CC(=O)N1CCCC[C@@H]1CNC(=O)OCc1ccccc1 c1ccc(cc1)[*:1] [NH3+]CC(=O)N1CCCC[C@@H]1CNC(=O)OC[*:1]
[NH3+]CC(=O)N1CCCC[C@@H]1CNC(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] [NH3+]CC(=O)N1CCCC[C@@H]1CNC(=O)O[*:1]
CC[C@H](CSC)N(C)C(=O)c1ccc(-n2ccnc2SC)cc1 CSc1nccn1[*:1] CC[C@H](CSC)N(C)C(=O)c1ccc(cc1)[*:1]
CC[C@H](CSC)N(C)C(=O)c1ccc(-n2ccnc2SC)cc1 CSC[*:1] CC[C@H](N(C)C(=O)c1ccc(cc1)-n1ccnc1SC)[*:1]
Cc1ccc(CNC(=O)[C@@H]2CN(C)CCO2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)[C@@H]2CN(C)CCO2)c(c1)[*:1]
CCC1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 O=C(N1CCCC1)[*:1] CCC1CCC(CC1)[NH+]1CCC(CC1)[*:1]
CC(C)Oc1ccccc1CN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 CC(C)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)Cc1ccccc1O[*:1]
CC(C)Oc1ccccc1CN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 CC(C)O[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)Cc1ccccc1[*:1]
O=C(COc1ccccc1Cc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(COc1ccccc1C[*:1])NNC(=O)Nc1ccc(Cl)cc1
O=C(COc1ccccc1Cc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(COc1ccccc1Cc1ccccc1)NNC(=O)N[*:1]
O=C(COc1ccccc1Cc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C(COc1ccccc1[*:1])NNC(=O)Nc1ccc(Cl)cc1
NC(=O)/C(=C\c1c(Cl)cccc1Cl)c1nc2ccccc2s1 NC(=O)[*:1] Clc1cccc(Cl)c1/C=C(/c1nc2ccccc2s1)[*:1]
CC(C)c1ncc(CNc2ccc(-c3nc(C4CC4)n[nH]3)cc2)s1 C1CC1c1n[nH]c(n1)[*:1] CC(C)c1ncc(CNc2ccc(cc2)[*:1])s1
CC(C)c1ncc(CNc2ccc(-c3nc(C4CC4)n[nH]3)cc2)s1 CC(C)c1ncc(s1)[*:1] c1cc(ccc1NC[*:1])-c1nc(n[nH]1)C1CC1
CC(C)c1ncc(CNc2ccc(-c3nc(C4CC4)n[nH]3)cc2)s1 CC(C)[*:1] c1cc(ccc1NCc1cnc(s1)[*:1])-c1nc(n[nH]1)C1CC1
CC(C)c1ncc(CNc2ccc(-c3nc(C4CC4)n[nH]3)cc2)s1 C1CC1[*:1] CC(C)c1ncc(CNc2ccc(cc2)-c2nc(n[nH]2)[*:1])s1
Cc1ccc(C(F)(F)F)cc1N1C[C@H](O)CC1=O FC(F)(F)[*:1] Cc1ccc(cc1N1C[C@H](O)CC1=O)[*:1]
COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)Cn1cncn1 c1ncn(C[*:1])n1 COC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])[*:1]
COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)Cn1cncn1 c1ncn(n1)[*:1] COC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])C[*:1]
COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)Cn1cncn1 COC(=O)[*:1] O=[N+]([O-])c1cccc(C=C(Cn2cncn2)[*:1])c1
COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)Cn1cncn1 O=[N+]([O-])[*:1] COC(=O)/C(=C/c1cccc(c1)[*:1])Cn1cncn1
CC(C)C(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 CC(C)C(=O)N[*:1] O=C1C[C@H](CN1CCc1cccc(Cl)c1)[*:1]
CC(C)C(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 CC(C)[*:1] O=C1C[C@H](CN1CCc1cccc(Cl)c1)NC(=O)[*:1]
CC(C)C(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC(C)C(=O)N[C@@H]1CC(=O)N(CC[*:1])C1
O=C(NCc1ccccc1)c1nc(-c2ccc(N3CCCC3)cc2)no1 C1CCN(C1)[*:1] O=C(NCc1ccccc1)c1nc(no1)-c1ccc(cc1)[*:1]
O=C(NCc1ccccc1)c1nc(-c2ccc(N3CCCC3)cc2)no1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1nc(no1)-c1ccc(cc1)N1CCCC1
O=C(NCc1ccccc1)c1nc(-c2ccc(N3CCCC3)cc2)no1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1nc(no1)-c1ccc(cc1)N1CCCC1
CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CSCN3C(=O)c3c[nH]c4ccccc34)ccc2o1 c1ccc2c(c[nH]c2c1)[*:1] CC(C)(C)c1nc2cc(ccc2o1)NC(=O)[C@@H]1CSCN1C(=O)[*:1]
CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CSCN3C(=O)c3c[nH]c4ccccc34)ccc2o1 CC(C)(C)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12
CCSC[C@H](C)N(C)C(=O)c1cc(C)nc2ccc(OC)cc12 CCSC[*:1] COc1ccc2nc(C)cc(C(=O)N(C)[C@@H](C)[*:1])c2c1
CCSC[C@H](C)N(C)C(=O)c1cc(C)nc2ccc(OC)cc12 CCS[*:1] COc1ccc2nc(C)cc(C(=O)N(C)[C@@H](C)C[*:1])c2c1
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21)NC1CCCCC1 Clc1ccccc1O[*:1] O=C(CN1C(=O)COc2ccc(cc21)C(=O)C[*:1])NC1CCCCC1
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)C(=O)COc1ccccc1Cl)N[*:1]
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21)NC1CCCCC1 O=C(C[*:1])NC1CCCCC1 O=C(COc1ccccc1Cl)c1ccc2OCC(=O)N(c2c1)[*:1]
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21)NC1CCCCC1 Clc1ccccc1[*:1] O=C(CN1C(=O)COc2ccc(cc21)C(=O)CO[*:1])NC1CCCCC1
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21)NC1CCCCC1 Clc1ccccc1OC[*:1] O=C(CN1C(=O)COc2ccc(cc21)C(=O)[*:1])NC1CCCCC1
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccccc3Cl)cc21)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(COc1ccccc1Cl)c1ccc2OCC(=O)N(C[*:1])c2c1
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1c[nH]c2ccccc12 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)Cc1c[nH]c2ccccc12)[*:1]
CC(C)COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 CC(C)C[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)O[*:1])c1ccccc1
CC(C)COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 C[C@H](c1ccccc1)[*:1] CC(C)COc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC(C)COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 CC(C)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)OC[*:1])c1ccccc1
CC(C)COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 CC(C)CO[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CC(C)COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)COc1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc2c(c1)NC(=O)CO2 c1csc(c1)[*:1] C[C@H](NC(=O)Cc1csc(n1)[*:1])c1ccc2OCC(=O)Nc2c1
c1ccc(-c2csc(SCc3nc4ccccc4o3)n2)cc1 c1ccc(cc1)[*:1] c1ccc2oc(CSc3nc(cs3)[*:1])nc2c1
CS[C@H]1CC[C@@H](NC(=O)[C@@H](C)CC2CCCC2)C1 C1CCC(C1)C[*:1] CS[C@H]1CC[C@H](C1)NC(=O)[C@@H](C)[*:1]
CS[C@H]1CC[C@@H](NC(=O)[C@@H](C)CC2CCCC2)C1 C1CCC(C1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)[C@@H](C)C[*:1]
CCC[C@@H]1CN(C(=O)CCC(=O)c2cc(C)ccc2C)CCO1 CCC[*:1] Cc1ccc(C)c(c1)C(=O)CCC(=O)N1CCO[C@@H](C1)[*:1]
COC(=O)c1sc(N)cc1O[C@H](C)c1ccccc1C(F)(F)F COC(=O)[*:1] C[C@@H](Oc1cc(N)sc1[*:1])c1ccccc1C(F)(F)F
COC(=O)c1sc(N)cc1O[C@H](C)c1ccccc1C(F)(F)F FC(F)(F)[*:1] COC(=O)c1sc(N)cc1O[C@H](C)c1ccccc1[*:1]
CCCCCn1nc(C(=O)NC2(C#N)CCCCC2)c2ccccc2c1=O CCC[*:1] N#CC1(CCCCC1)NC(=O)c1nn(CC[*:1])c(=O)c2ccccc12
CCCCCn1nc(C(=O)NC2(C#N)CCCCC2)c2ccccc2c1=O CCCC[*:1] N#CC1(CCCCC1)NC(=O)c1nn(C[*:1])c(=O)c2ccccc12
CCCCCn1nc(C(=O)NC2(C#N)CCCCC2)c2ccccc2c1=O CCCCC[*:1] N#CC1(CCCCC1)NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
CCCCCn1nc(C(=O)NC2(C#N)CCCCC2)c2ccccc2c1=O N#CC1(CCCCC1)[*:1] CCCCCn1nc(C(=O)N[*:1])c2ccccc2c1=O
CN(CCOc1ccccc1)C(=O)CCn1ccccc1=O c1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)CCn1ccccc1=O
CN(CCOc1ccccc1)C(=O)CCn1ccccc1=O c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)CCn1ccccc1=O
CN(CCOc1ccccc1)C(=O)CCn1ccccc1=O O=c1ccccn1[*:1] CN(CCOc1ccccc1)C(=O)CC[*:1]
CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(-c3ccoc3)c2)n1 CC(C)c1csc(n1)[*:1] N#C[C@@H](C(=O)c1cccc(c1)-c1ccoc1)[*:1]
CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(-c3ccoc3)c2)n1 c1cc(co1)[*:1] CC(C)c1csc(n1)[C@@H](C#N)C(=O)c1cccc(c1)[*:1]
CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(-c3ccoc3)c2)n1 CC(C)[*:1] N#C[C@@H](C(=O)c1cccc(c1)-c1ccoc1)c1nc(cs1)[*:1]
COC[C@@H](C)N1C(=O)c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2C1=O Cc1ccc(o1)[*:1] COC[C@@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)N(C)C[*:1]
COC[C@@H](C)N1C(=O)c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2C1=O Cc1ccc(C[*:1])o1 COC[C@@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)N(C)[*:1]
COC[C@@H](C)N1C(=O)c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2C1=O COC[*:1] Cc1ccc(CN(C)C(=O)c2ccc3C(=O)N(C(=O)c3c2)[C@H](C)[*:1])o1
CN(Cc1cccc(C#N)c1)C(=O)NCCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CN(Cc1cccc(C#N)c1)C(=O)NCC[*:1]
Cn1ncc2c1CCC[C@H]2NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)NCC(C)(C)[*:1]
Cn1ncc2c1CCC[C@H]2NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C CC(C)(C)[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)NCC(C)(C)NC(=O)O[*:1]
COc1ccc(-c2ccc(C(=O)N[C@H](C)c3cnn(-c4ccccn4)c3C)o2)cc1 COc1ccc(cc1)[*:1] Cc1c(cnn1-c1ccccn1)[C@@H](C)NC(=O)c1ccc(o1)[*:1]
COc1ccc(-c2ccc(C(=O)N[C@H](C)c3cnn(-c4ccccn4)c3C)o2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)-c1ccc(o1)C(=O)N[C@H](C)c1cnn(c1C)[*:1]
COC[C@@H](C)Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 COC[*:1] C[C@@H](Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCC1)[*:1]
COC[C@@H](C)Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 O=S(=O)(N1CCCC1)[*:1] COC[C@@H](C)Nc1nc(cs1)-c1ccc(cc1)[*:1]
N#C/C=C(\c1ccc(F)cc1)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 NC(=O)[*:1] N#C/C=C(\c1ccc(F)cc1)N1CCC(CC1)Oc1ccnc(c1)[*:1]
N#C/C=C(\c1ccc(F)cc1)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 Fc1ccc(cc1)[*:1] N#C/C=C(/N1CCC(CC1)Oc1ccnc(c1)C(N)=O)[*:1]
N#C/C=C(\c1ccc(F)cc1)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 NC(=O)c1cc(ccn1)[*:1] N#C/C=C(\c1ccc(F)cc1)N1CCC(CC1)O[*:1]
O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
O=C(N[C@@H]1C=C[C@@H](C(=O)[O-])C1)N[C@H]1CCCc2sccc21 O=C([O-])[*:1] O=C(N[C@@H]1C=C[C@@H](C1)[*:1])N[C@H]1CCCc2sccc21
COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)Cc1cscn1)CC2 c1ccc(nc1)[*:1] COC(=O)c1c(cc(=O)n2CCN(CCc12)C(=O)Cc1cscn1)OC[*:1]
COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)Cc1cscn1)CC2 COC(=O)[*:1] O=C(Cc1cscn1)N1CCc2c(c(cc(=O)n2CC1)OCc1ccccn1)[*:1]
COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)Cc1cscn1)CC2 c1ccc(C[*:1])nc1 COC(=O)c1c(cc(=O)n2CCN(CCc12)C(=O)Cc1cscn1)O[*:1]
COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)Cc1cscn1)CC2 c1nc(cs1)[*:1] COC(=O)c1c(cc(=O)n2CCN(CCc12)C(=O)C[*:1])OCc1ccccn1
COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)Cc1cscn1)CC2 c1ccc(CO[*:1])nc1 COC(=O)c1c(cc(=O)n2CCN(CCc12)C(=O)Cc1cscn1)[*:1]
COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)Cc1cscn1)CC2 c1nc(cs1)C[*:1] COC(=O)c1c(cc(=O)n2CCN(CCc12)C(=O)[*:1])OCc1ccccn1
O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)NCc1ccccc1)N[*:1]
O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)N[*:1]
O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC[*:1]
COc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N(C)C)c3)sc2C)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)-c1cc(sc1C)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N(C)C)c3)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(cc1[*:1])C(=O)Nc1cccc(c1)C(=O)N(C)C
COc1cc(C(=O)NC2CCC(C)CC2)cc(OC)c1OC CC1CCC(CC1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[*:1]
Cn1c(=O)/c(=C\c2ccc(Br)cc2)s/c1=C\C(=O)C(C)(C)C Brc1ccc(cc1)[*:1] Cn1c(=O)c(=C[*:1])s/c1=C\C(=O)C(C)(C)C
Cn1c(=O)/c(=C\c2ccc(Br)cc2)s/c1=C\C(=O)C(C)(C)C CC(C)(C)C(=O)[*:1] Cn1c(=O)/c(=C\c2ccc(Br)cc2)sc1=C[*:1]
Cn1c(=O)/c(=C\c2ccc(Br)cc2)s/c1=C\C(=O)C(C)(C)C CC(C)(C)[*:1] Cn1c(=O)/c(=C\c2ccc(Br)cc2)s/c1=C\C(=O)[*:1]
COC(=O)c1c(NC(=O)CN2CCN(c3ncccn3)CC2)sc(C)c1C c1cnc(nc1)[*:1] COC(=O)c1c(NC(=O)CN2CCN(CC2)[*:1])sc(C)c1C
COC(=O)c1c(NC(=O)CN2CCN(c3ncccn3)CC2)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)CN2CCN(CC2)c2ncccn2)c(c1C)[*:1]
CC[NH2+][C@@H](C(C)C)[C@@H](C)C1CCCCC1 CC(C)[*:1] CC[NH2+][C@@H]([C@@H](C)C1CCCCC1)[*:1]
Cc1ccc(NC(=O)/C=C/c2cc3cnn(C(C)C)c3[nH]c2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)/C=C/c1cc2cnn(c2[nH]c1=O)[*:1]
Cc1ccc(NC(=O)/C=C/c2cc3cnn(C(C)C)c3[nH]c2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)n1ncc2cc(/C=C/C(=O)N[*:1])c(=O)[nH]c21
CCS(=O)(=O)NCCSc1nnnn1-c1cccc(F)c1 Fc1cccc(c1)[*:1] CCS(=O)(=O)NCCSc1nnnn1[*:1]
CCS(=O)(=O)NCCSc1nnnn1-c1cccc(F)c1 CCS(=O)(=O)N[*:1] Fc1cccc(c1)-n1nnnc1SCC[*:1]
CCS(=O)(=O)NCCSc1nnnn1-c1cccc(F)c1 CCS(=O)(=O)NC[*:1] Fc1cccc(c1)-n1nnnc1SC[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)Cc2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1CC(=O)N[C@@H](C)[C@H](O)[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)Cc2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)NC(=O)C[*:1]
O=C([O-])Cn1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)nn1 O=C([O-])[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)/C(Cl)=C\c1cn(C[*:1])nn1
O=C([O-])Cn1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)nn1 Clc1ccc(cc1)[*:1] O=C([O-])Cn1cc(/C=C(/Cl)c2nnc(s2)C(=O)N[*:1])nn1
O=C([O-])Cn1cc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)nn1 O=C([O-])C[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)/C(Cl)=C\c1cn(nn1)[*:1]
N#Cc1ccc(O)cc1C(F)(F)F FC(F)(F)[*:1] N#Cc1ccc(O)cc1[*:1]
O=C(C[S@](=O)Cc1csc(C2CCCC2)n1)NC1CCCC1 C1CCC(C1)[*:1] O=C(C[S@](=O)Cc1csc(n1)C1CCCC1)N[*:1]
O=C(C[S@](=O)Cc1csc(C2CCCC2)n1)NC1CCCC1 C1CCC(C1)[*:1] O=C(C[S@](=O)Cc1csc(n1)[*:1])NC1CCCC1
CC(=O)NCc1ccc(S(=O)(=O)/N=C(\[O-])c2ccccc2C)cc1 CC(=O)NC[*:1] Cc1ccccc1/C([O-])=N/S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(S(=O)(=O)/N=C(\[O-])c2ccccc2C)cc1 CC(=O)N[*:1] Cc1ccccc1/C([O-])=N/S(=O)(=O)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(S(=O)(=O)/N=C(\[O-])c2ccccc2C)cc1 Cc1ccccc1[*:1] CC(=O)NCc1ccc(cc1)S(=O)(=O)/N=C(\[O-])[*:1]
C[NH+](C)[C@@H](CNc1nnnn1-c1ccccc1)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] C[NH+](C)[C@@H](CNc1nnnn1-c1ccccc1)[*:1]
C[NH+](C)[C@@H](CNc1nnnn1-c1ccccc1)c1c(F)cccc1Cl c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNc1nnnn1[*:1])c1c(F)cccc1Cl
Cc1c(CC(=O)Nc2cc(C(C)(C)C)sc2C#N)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])CC(=O)Nc1cc(sc1C#N)C(C)(C)C
Cc1c(CC(=O)Nc2cc(C(C)(C)C)sc2C#N)cccc1[N+](=O)[O-] CC(C)(C)[*:1] Cc1c(cccc1[N+](=O)[O-])CC(=O)Nc1cc(sc1C#N)[*:1]
CCc1ccc(C(=O)CSc2nnc3[nH]c4ccccc4n23)s1 CCc1ccc(s1)[*:1] O=C(CSc1nnc2[nH]c3ccccc3n12)[*:1]
COC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H]1COc2ccccc2C1 COC(=O)[*:1] O=C([C@H]1COc2ccccc2C1)N1c2ccccc2C[C@H]1[*:1]
CC(C)[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] CC(C)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
CC(C)[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H]([C@H]([NH3+])c2cccc(Cl)c2F)C1 CS(=O)(=O)[*:1] [NH3+][C@H](c1cccc(Cl)c1F)[C@H]1CCC[C@@H](C1)[*:1]
CCC[NH+]1CCC(NC(=O)CC)CC1 CCC[*:1] CCC(=O)NC1CC[NH+](CC1)[*:1]
O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1cccs1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1nnc(o1)[*:1])c1cccs1
O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1cccs1 O=C(N[*:1])c1cccs1 c1ccc(cc1)-c1nnc(o1)-c1cccc(c1)[*:1]
O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1cccs1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)-c1nnc(o1)-c1ccccc1)[*:1]
O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(C[C@H](O)c2cccs2)CC1 O=c1ccn(c(=O)[nH]1)[*:1] O=C(CC[*:1])N1CCN(CC1)C[C@H](O)c1cccs1
O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(C[C@H](O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(CC1)C[C@H](O)[*:1]
O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(C[C@H](O)c2cccs2)CC1 O[C@@H](C[*:1])c1cccs1 O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(CC1)[*:1]
Cc1nc2nc(C)c3c(=O)n(-c4cccc(C(F)(F)F)c4)ccc3n2n1 FC(F)(F)[*:1] Cc1nc2nc(C)c3c(=O)n(ccc3n2n1)-c1cccc(c1)[*:1]
COCCOc1ccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 COCC[*:1] O=C(Nc1ccc(cc1)O[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
COCCOc1ccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 FC(F)(F)[*:1] COCCOc1ccc(cc1)NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
COCCOc1ccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 COCCO[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
COCCOc1ccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 COC[*:1] O=C(Nc1ccc(cc1)OC[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)nn3C(C)C)CC2)cc1 Cc1cc(n(n1)C(C)C)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)nn3C(C)C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])n(n1)C(C)C
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)nn3C(C)C)CC2)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cc(C)nn1[*:1]
OC[C@@H](O)CSCc1cccc(F)c1Cl OC[C@@H](O)C[*:1] Fc1cccc(CS[*:1])c1Cl
OC[C@@H](O)CSCc1cccc(F)c1Cl OC[C@@H](O)[*:1] Fc1cccc(CSC[*:1])c1Cl
Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1c[nH]c2ccccc12)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccccc1)[*:1]
C[C@H]1CCCN(C(=O)N[C@@H](C)C/C(N)=N/O)C1 N/C(=N\O)[*:1] C[C@H]1CCCN(C1)C(=O)N[C@@H](C)C[*:1]
C[C@H]1CCCN(C(=O)N[C@@H](C)C/C(N)=N/O)C1 N/C(C[*:1])=N\O C[C@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
O=C(NNc1cccc(F)c1F)Nc1ccc(N2CCCC2)[nH+]c1 Fc1cccc(c1F)[*:1] O=C(NN[*:1])Nc1ccc([nH+]c1)N1CCCC1
O=C(NNc1cccc(F)c1F)Nc1ccc(N2CCCC2)[nH+]c1 C1CCN(C1)[*:1] O=C(NNc1cccc(F)c1F)Nc1ccc([nH+]c1)[*:1]
CCOCCN(C)C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 CCOC[*:1] CN(C[*:1])C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21
CCOCCN(C)C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 CCOCC[*:1] CN(C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21)[*:1]
CCOCCN(C)C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 CCO[*:1] CN(CC[*:1])C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21
CSC(C)(C)CNC(=O)c1oc(C)nc1C CSC(C)(C)[*:1] Cc1nc(C)c(o1)C(=O)NC[*:1]
COCCN(Cc1ccccc1)C(=O)c1cnc(C)cn1 c1ccc(cc1)C[*:1] COCCN(C(=O)c1cnc(C)cn1)[*:1]
COCCN(Cc1ccccc1)C(=O)c1cnc(C)cn1 COCC[*:1] Cc1cnc(cn1)C(=O)N(Cc1ccccc1)[*:1]
COCCN(Cc1ccccc1)C(=O)c1cnc(C)cn1 c1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)c1cnc(C)cn1
COCCN(Cc1ccccc1)C(=O)c1cnc(C)cn1 Cc1cnc(cn1)[*:1] COCCN(Cc1ccccc1)C(=O)[*:1]
COCCN(Cc1ccccc1)C(=O)c1cnc(C)cn1 COC[*:1] Cc1cnc(cn1)C(=O)N(Cc1ccccc1)C[*:1]
CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)CC1 C1CC1[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)CC1 C1CC1C[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCNC(=O)c1ccccc1NC(=O)C1=NO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CCNC(=O)c1ccccc1NC(=O)C1C[C@@H](ON=1)[*:1]
CCNC(=O)c1ccccc1NC(=O)C1=NO[C@H](c2ccccc2)C1 CCNC(=O)[*:1] O=C(Nc1ccccc1[*:1])C1C[C@H](ON=1)c1ccccc1
NC(=O)CCn1cnc2c(N)ncnc21 NC(=O)[*:1] Nc1ncnc2c1ncn2CC[*:1]
NC(=O)CCn1cnc2c(N)ncnc21 NC(=O)C[*:1] Nc1ncnc2c1ncn2C[*:1]
NC(=O)CCn1cnc2c(N)ncnc21 NC(=O)CC[*:1] Nc1ncnc2c1ncn2[*:1]
Cn1cccc1C(=O)Oc1ccc(C(F)(F)F)cc1 Cn1cccc1[*:1] O=C(Oc1ccc(cc1)C(F)(F)F)[*:1]
Cn1cccc1C(=O)Oc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cn1cccc1C(=O)Oc1ccc(cc1)[*:1]
Cc1nc(Cn2nnc(-c3ccc(C(N)=O)cc3)n2)nc2ccccc12 NC(=O)[*:1] Cc1nc(Cn2nnc(n2)-c2ccc(cc2)[*:1])nc2ccccc12
Cc1ccc(CSc2nnc(CCC(=O)[O-])c([O-])n2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)CSc1nnc(CC[*:1])c([O-])n1
Cc1ccc(CSc2nnc(CCC(=O)[O-])c([O-])n2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])CCc1nnc(nc1[O-])SC[*:1]
Cc1ccc(CSc2nnc(CCC(=O)[O-])c([O-])n2)cc1 O=C([O-])CC[*:1] Cc1ccc(cc1)CSc1nnc(c([O-])n1)[*:1]
Cc1ccc(CSc2nnc(CCC(=O)[O-])c([O-])n2)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)CSc1nnc(C[*:1])c([O-])n1
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OC(=O)N1CCOCC1 O=C(O[*:1])N1CCOCC1 CCOc1cc(ccc1[*:1])[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OC(=O)N1CCOCC1 CCO[*:1] N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(OC(=O)N2CCOCC2)c(c1)[*:1]
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OC(=O)N1CCOCC1 c1ccc(cc1)[*:1] CCOc1cc(ccc1OC(=O)N1CCOCC1)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(c21)[*:1]
N[C@H]1NN=C(SCC2=NC(=O)C3=C(c4ccccc4)CSC3=N2)S1 c1ccc(cc1)[*:1] N[C@H]1NN=C(SCC2=NC(=O)C3C(=N2)SCC=3[*:1])S1
Cc1cc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C(C)C)cc1Cl c1cc2OCOc2cc1[*:1] Cc1cc(OCC(=O)N2CCC(CC2)C(=O)N[*:1])c(cc1Cl)C(C)C
Cc1cc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C(C)C)cc1Cl Cc1cc(c(cc1Cl)C(C)C)[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)CO[*:1]
Cc1cc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C(C)C)cc1Cl CC(C)[*:1] Cc1cc(OCC(=O)N2CCC(CC2)C(=O)Nc2ccc3OCOc3c2)c(cc1Cl)[*:1]
CO[C@H]1CCC[C@@H]1NC(=O)c1ccc(SCc2cccnc2)cc1 c1cncc(c1)C[*:1] CO[C@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)S[*:1]
CO[C@H]1CCC[C@@H]1NC(=O)c1ccc(SCc2cccnc2)cc1 c1cncc(c1)CS[*:1] CO[C@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)[*:1]
CO[C@H]1CCC[C@@H]1NC(=O)c1ccc(SCc2cccnc2)cc1 c1cncc(c1)[*:1] CO[C@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)SC[*:1]
CO[C@@H]1CCCC[C@H]1NC(=O)N(C)CCN1CCOCC1 C1CN(CCO1)C[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)N(C)C[*:1]
CO[C@@H]1CCCC[C@H]1NC(=O)N(C)CCN1CCOCC1 C1CN(CCO1)[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)N(C)CC[*:1]
CC(=O)NCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 CC(=O)NC[*:1] O=C(Nc1ccccc1NC12CC3CC(CC(C3)C1)C2)[*:1]
CC(=O)NCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 CC(=O)N[*:1] O=C(C[*:1])Nc1ccccc1NC12CC3CC(CC(C3)C1)C2
CC(=O)NCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 CC(=O)NCC(=O)N[*:1] c1ccc(c(c1)NC12CC3CC(CC(C3)C1)C2)[*:1]
Cc1cc(Sc2ncccn2)ccc1NC(=O)C[C@@H](C)C(C)C CC(C)[*:1] Cc1cc(ccc1NC(=O)C[C@@H](C)[*:1])Sc1ncccn1
Cc1cc(Sc2ncccn2)ccc1NC(=O)C[C@@H](C)C(C)C c1cnc(nc1)[*:1] Cc1cc(ccc1NC(=O)C[C@@H](C)C(C)C)S[*:1]
Cc1cc(Sc2ncccn2)ccc1NC(=O)C[C@@H](C)C(C)C CC(C)[C@H](C)C[*:1] Cc1cc(ccc1NC(=O)[*:1])Sc1ncccn1
Cc1cc(Sc2ncccn2)ccc1NC(=O)C[C@@H](C)C(C)C c1cnc(nc1)S[*:1] Cc1cc(ccc1NC(=O)C[C@@H](C)C(C)C)[*:1]
CCCc1ccc([C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 CC(C)[*:1] CCCc1ccc(cc1)[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)[*:1]
CCCc1ccc([C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 CCC[*:1] CC(C)[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C)cc2)C1=O CCOC(=O)[*:1] Cc1ccc(/C=C2/SC(=O)N(C2=O)[C@@H](C)[*:1])cc1
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C)cc2)C1=O CCOC(=O)[C@H](C)[*:1] Cc1ccc(/C=C2/SC(=O)N(C2=O)[*:1])cc1
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C)cc2)C1=O Cc1ccc(cc1)[*:1] CCOC(=O)[C@H](C)N1C(=O)SC(=C[*:1])C1=O
O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C1CSC(=O)N1[C@H]1CCCC[C@H]1NC(=O)[*:1]
O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccc(Cl)s1 O=C1CSC(=O)N1[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])c1ccc(Cl)s1
C[C@H]1CCC[C@@H](C[NH2+]CC(C)(C)C[C@@H](C)O)C1 C[C@@H](O)C[*:1] C[C@H]1CCC[C@@H](C[NH2+]CC(C)(C)[*:1])C1
C[C@H]1CCC[C@@H](C[NH2+]CC(C)(C)C[C@@H](C)O)C1 C[C@@H](O)[*:1] C[C@H]1CCC[C@@H](C[NH2+]CC(C)(C)C[*:1])C1
Nc1ccc2c(c1)CC[C@H]2[NH2+]CCC1CCCC1 C1CCC(C1)[*:1] Nc1ccc2c(c1)CC[C@H]2[NH2+]CC[*:1]
Nc1ccc2c(c1)CC[C@H]2[NH2+]CCC1CCCC1 C1CCC(C1)C[*:1] Nc1ccc2c(c1)CC[C@H]2[NH2+]C[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 CC(=O)N[*:1] O=C(CSc1nc(C2CC2)n(n1)-c1ccccc1)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 C1CC1[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nc(n(n1)-c1ccccc1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nc(C2CC2)n(n1)[*:1]
Nc1ccccc1C(=O)NNC(=O)c1sc2ccccc2c1Cl Nc1ccccc1[*:1] O=C(NNC(=O)[*:1])c1sc2ccccc2c1Cl
O=C(NCCc1ccccc1)c1cccn1-c1nnc(N2CCCCC2)s1 c1ccc(cc1)CC[*:1] O=C(N[*:1])c1cccn1-c1nnc(s1)N1CCCCC1
O=C(NCCc1ccccc1)c1cccn1-c1nnc(N2CCCCC2)s1 C1CCN(CC1)[*:1] O=C(NCCc1ccccc1)c1cccn1-c1nnc(s1)[*:1]
O=C(NCCc1ccccc1)c1cccn1-c1nnc(N2CCCCC2)s1 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1cccn1-c1nnc(s1)N1CCCCC1
O=C(NCCc1ccccc1)c1cccn1-c1nnc(N2CCCCC2)s1 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1cccn1-c1nnc(s1)N1CCCCC1
CCOc1ccccc1CNC(=O)c1cc(=O)nc2sc(N3CCC[C@H](C)C3)nn12 CCOc1ccccc1[*:1] C[C@H]1CCCN(C1)c1nn2c(cc(=O)nc2s1)C(=O)NC[*:1]
CCOc1ccccc1CNC(=O)c1cc(=O)nc2sc(N3CCC[C@H](C)C3)nn12 CCO[*:1] C[C@H]1CCCN(C1)c1nn2c(cc(=O)nc2s1)C(=O)NCc1ccccc1[*:1]
CCOc1ccccc1CNC(=O)c1cc(=O)nc2sc(N3CCC[C@H](C)C3)nn12 CCOc1ccccc1C[*:1] C[C@H]1CCCN(C1)c1nn2c(cc(=O)nc2s1)C(=O)N[*:1]
CC(C)c1noc(C[S@@](=O)CC(=O)N2CCCc3ccccc32)n1 CC(C)[*:1] O=C(C[S@](=O)Cc1nc(no1)[*:1])N1CCCc2ccccc21
CC(C)c1noc(C[S@@](=O)CC(=O)N2CCCc3ccccc32)n1 CC(C)c1noc(n1)[*:1] O=C(C[S@](=O)C[*:1])N1CCCc2ccccc21
COc1ccc2c(ccc[n+]2CC(=O)NCC2CCCCC2)c1 C1CCC(CC1)[*:1] COc1ccc2c(ccc[n+]2CC(=O)NC[*:1])c1
COc1ccc2c(ccc[n+]2CC(=O)NCC2CCCCC2)c1 C1CCC(CC1)C[*:1] COc1ccc2c(ccc[n+]2CC(=O)N[*:1])c1
CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2ccccc21 CC(C)[*:1] O=C1N(C[*:1])c2ccccc2[C@]12CC(O)=Nc1c2cnn1-c1cccc(Cl)c1
CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2ccccc21 CC(C)C[*:1] O=C1N(c2ccccc2[C@]12CC(O)=Nc1c2cnn1-c1cccc(Cl)c1)[*:1]
CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2ccccc21 Clc1cccc(c1)[*:1] CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3[*:1])c2ccccc21
CC(=O)[C@@H](C)SCC(=O)NCC(C)(C)N1CCOCC1 CC(=O)[C@@H](C)[*:1] CC(C)(CNC(=O)CS[*:1])N1CCOCC1
CC(=O)[C@@H](C)SCC(=O)NCC(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] CC(=O)[C@@H](C)SCC(=O)NCC(C)(C)[*:1]
CC(=O)[C@@H](C)SCC(=O)NCC(C)(C)N1CCOCC1 CC(=O)[*:1] C[C@@H](SCC(=O)NCC(C)(C)N1CCOCC1)[*:1]
CC(=O)[C@@H](C)SCC(=O)NCC(C)(C)N1CCOCC1 CC(=O)[C@@H](C)S[*:1] CC(C)(CNC(=O)C[*:1])N1CCOCC1
Cc1ccc(C)c(CC(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1C)Cc1nnc(NC(=O)C[*:1])o1
Cc1ccc(C)c(CC(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)c1 Cc1ccc(cc1C)[*:1] Cc1ccc(C)c(c1)CC(=O)Nc1nnc(C[*:1])o1
NC(=O)C[C@H]1CCCCN1C(=O)Cc1ccc(Br)s1 NC(=O)[*:1] O=C(Cc1ccc(Br)s1)N1CCCC[C@@H]1C[*:1]
NC(=O)C[C@H]1CCCCN1C(=O)Cc1ccc(Br)s1 Brc1ccc(s1)[*:1] NC(=O)C[C@H]1CCCCN1C(=O)C[*:1]
NC(=O)C[C@H]1CCCCN1C(=O)Cc1ccc(Br)s1 NC(=O)C[*:1] O=C(Cc1ccc(Br)s1)N1CCCC[C@@H]1[*:1]
O=C1/C(=C/N[C@H]2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C1/C(=C/N[C@H]2CCS(=O)(=O)C2)c2ccccc2C(=O)N1[*:1]
CCc1ccc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1 CCc1ccc(cc1)[*:1] COc1cccc(C(=O)N2CCN(CC2)C[*:1])c1OC
CCc1ccc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1 CCc1ccc(cc1)C[*:1] COc1cccc(C(=O)N2CCN(CC2)[*:1])c1OC
COc1ccc2c(COc3ccc4c(=O)c(-c5ccc6c(c5)OCCO6)coc4c3)cc(=O)oc2c1 c1cc2OCCOc2cc1[*:1] COc1ccc2c(cc(=O)oc2c1)COc1ccc2c(=O)c(coc2c1)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(SC(F)F)c1 FC(F)S[*:1] Cc1ccc(cc1C(=O)Nc1cccc(c1)[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(SC(F)F)c1 FC(F)[*:1] Cc1ccc(cc1C(=O)Nc1cccc(c1)S[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(SC(F)F)c1 CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)Nc1cccc(c1)SC(F)F)[*:1]
CCCN[C@]1(C#N)CCC[C@@H](n2cc(I)cn2)C1 CCCN[*:1] N#C[C@@]1(CCC[C@H](C1)n1cc(I)cn1)[*:1]
CCCN[C@]1(C#N)CCC[C@@H](n2cc(I)cn2)C1 CCC[*:1] N#C[C@]1(CCC[C@H](C1)n1cc(I)cn1)N[*:1]
CCCN[C@]1(C#N)CCC[C@@H](n2cc(I)cn2)C1 Ic1cnn(c1)[*:1] CCCN[C@]1(C#N)CCC[C@@H](C1)[*:1]
Cc1cc2c(NC[C@@H](O)c3ccccc3)ncnc2s1 c1ccc(cc1)[*:1] Cc1cc2c(ncnc2s1)NC[C@@H](O)[*:1]
CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CC1(O)CCCC1 CC(C)CC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)CC1(O)CCCC1
CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CC1(O)CCCC1 OC1(CCCC1)[*:1] CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C[*:1]
CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CC1(O)CCCC1 CC(C)C[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1CSCN1C(=O)CC1(O)CCCC1
CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CC1(O)CCCC1 CC(C)CC[*:1] C[C@H](NC(=O)[C@H]1CSCN1C(=O)CC1(O)CCCC1)[*:1]
CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CC1(O)CCCC1 OC1(CCCC1)C[*:1] CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[*:1]
CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CC1(O)CCCC1 CC(C)[*:1] C[C@@H](CC[*:1])NC(=O)[C@H]1CSCN1C(=O)CC1(O)CCCC1
Cc1cc(C)c(NC(=O)CNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCC(=O)N[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c(C)c1 CC(C)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)[C@@H](NC(=O)c2ccco2)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c(C)c1 c1coc(c1)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)[C@@H](NC(=O)[*:1])C(C)C)c(C)c1
Cc1cc(C)c(NC(=O)CNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c(C)c1 O=C(N[*:1])c1ccco1 Cc1cc(C)c(NC(=O)CNC(=O)[C@@H](C(C)C)[*:1])c(C)c1
O=C1S[C@H](Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1 FC(F)(F)[*:1] O=C1S[C@H](Nc2cccc(c2)[*:1])C(=O)N1Cc1ccccc1
O=C1S[C@H](Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1S[C@H](Nc2cccc(c2)C(F)(F)F)C(=O)N1C[*:1]
O=C1S[C@H](Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1S[C@H](Nc2cccc(c2)C(F)(F)F)C(=O)N1[*:1]
C=CCC[C@H](C)[NH+]1CCN(c2ccccc2O)CC1 C=CC[*:1] C[C@@H](C[*:1])[NH+]1CCN(CC1)c1ccccc1O
C=CCC[C@H](C)[NH+]1CCN(c2ccccc2O)CC1 C=CCC[*:1] C[C@H]([NH+]1CCN(CC1)c1ccccc1O)[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1=O c1ccc(cc1)[*:1] COc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)NC[C@@H]([NH+](C)C)[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1=O COc1ccc(Cl)cc1[*:1] C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1
COc1cc(C[NH+]2CCC(Nc3ccccc3)CC2)ccc1F c1ccc(cc1)[*:1] COc1cc(ccc1F)C[NH+]1CCC(CC1)N[*:1]
COc1cc(C[NH+]2CCC(Nc3ccccc3)CC2)ccc1F c1ccc(cc1)N[*:1] COc1cc(ccc1F)C[NH+]1CCC(CC1)[*:1]
Cc1ccc(C(=O)CSc2nnnn2-c2ccc(O)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnnn1-c1ccc(O)cc1)[*:1]
Cc1ccc(C(=O)CSc2nnnn2-c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)CSc1nnnn1[*:1]
CCCS(=O)(=O)CC(=O)N1C[C@@H](C)NC(=O)c2ccc(F)cc21 CCC[*:1] C[C@@H]1CN(C(=O)CS(=O)(=O)[*:1])c2cc(F)ccc2C(=O)N1
CCCS(=O)(=O)CC(=O)N1C[C@@H](C)NC(=O)c2ccc(F)cc21 CCCS(=O)(=O)C[*:1] C[C@@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
CCCS(=O)(=O)CC(=O)N1C[C@@H](C)NC(=O)c2ccc(F)cc21 CCCS(=O)(=O)[*:1] C[C@@H]1CN(C(=O)C[*:1])c2cc(F)ccc2C(=O)N1
O=C(CN1C(=O)c2ccccc2Sc2ncccc21)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C1c2ccccc2Sc2ncccc2N1[*:1]
O=C(CN1C(=O)c2ccccc2Sc2ncccc21)N1CCCC1 O=C(N1CCCC1)[*:1] O=C1c2ccccc2Sc2ncccc2N1C[*:1]
Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)C1=C(O)C(=O)N([C@@H]1c1cccc(Br)c1)[*:1]
Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1 Cc1ccc(cc1)[*:1] O=C1C(O)=C([C@@H](c2cccc(Br)c2)N1Cc1cccnc1)[*:1]
Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)C1=C(O)C(=O)N(C[*:1])[C@@H]1c1cccc(Br)c1
Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1[*:1]
CC[C@H](C(=O)NNC(=O)NCC1(c2ccccc2F)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)NNC(=O)NCC1(CC1)c1ccccc1F)[*:1]
CC[C@H](C(=O)NNC(=O)NCC1(c2ccccc2F)CC1)c1ccccc1 CC[C@H](c1ccccc1)[*:1] O=C(NCC1(CC1)c1ccccc1F)NNC(=O)[*:1]
CC[C@H](C(=O)NNC(=O)NCC1(c2ccccc2F)CC1)c1ccccc1 Fc1ccccc1[*:1] CC[C@H](C(=O)NNC(=O)NCC1(CC1)[*:1])c1ccccc1
CC(C)OCCN1CCN(C(=O)c2c[nH]c3nccc(Cl)c23)CC1 CC(C)[*:1] O=C(c1c[nH]c2nccc(Cl)c12)N1CCN(CCO[*:1])CC1
CC(C)OCCN1CCN(C(=O)c2c[nH]c3nccc(Cl)c23)CC1 CC(C)OCC[*:1] O=C(c1c[nH]c2nccc(Cl)c12)N1CCN(CC1)[*:1]
CC(C)OCCN1CCN(C(=O)c2c[nH]c3nccc(Cl)c23)CC1 CC(C)O[*:1] O=C(c1c[nH]c2nccc(Cl)c12)N1CCN(CC1)CC[*:1]
CC(C)OCCN1CCN(C(=O)c2c[nH]c3nccc(Cl)c23)CC1 CC(C)OC[*:1] O=C(c1c[nH]c2nccc(Cl)c12)N1CCN(CC1)C[*:1]
CC[C@@H](SC1=NC(=O)CC(N)=N1)C(=O)Nc1ccc(C(C)=O)cc1 CC(=O)[*:1] CC[C@@H](SC1N=C(N)CC(=O)N=1)C(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1cccc(-n2cnnc2)c1)[C@@H]1Cc2cc(Cl)ccc2O1 c1nncn1[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1Cc2cc(Cl)ccc2O1
O=C(CCCc1ccccn1)Nc1cccc2cccnc12 c1ccc(C[*:1])nc1 O=C(CC[*:1])Nc1cccc2cccnc12
O=C(CCCc1ccccn1)Nc1cccc2cccnc12 c1ccc(nc1)[*:1] O=C(CCC[*:1])Nc1cccc2cccnc12
CCOc1ccc(-c2nc(C(=O)N3CCC[C@H](NC(C)=O)C3)cs2)cc1 CCO[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)c1csc(n1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(C(=O)N3CCC[C@H](NC(C)=O)C3)cs2)cc1 CC(=O)N[*:1] CCOc1ccc(cc1)-c1nc(cs1)C(=O)N1CCC[C@H](C1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(Nc1ccc2OCOc2c1)N[C@H]1C=C[C@@H](C1)[*:1]
CCc1cc2cc3c(cc2nc1SCC(=O)c1ccc(NC(C)=O)cc1)OCCO3 CC(=O)N[*:1] CCc1cc2cc3OCCOc3cc2nc1SCC(=O)c1ccc(cc1)[*:1]
CCc1cc2cc3c(cc2nc1SCC(=O)c1ccc(NC(C)=O)cc1)OCCO3 CC(=O)Nc1ccc(cc1)[*:1] CCc1cc2cc3OCCOc3cc2nc1SCC(=O)[*:1]
O=C(COc1ccc2ccccc2c1)NNC(=O)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(COc1ccc2ccccc2c1)NNC(=O)c1cc([nH]n1)[*:1]
O=C(COc1ccc2ccccc2c1)NNC(=O)c1cc(C2CC2)[nH]n1 c1c(n[nH]c1C1CC1)[*:1] O=C(COc1ccc2ccccc2c1)NNC(=O)[*:1]
C[C@H]1SCCC[C@]1(Nc1ccc(Cl)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H]1SCCC[C@@]1(Nc1ccc(Cl)cc1)[*:1]
CCC(=O)Nc1ccc(C(=O)N[C@H]2CCSC2=O)cc1 CCC(=O)N[*:1] O=C(N[C@H]1CCSC1=O)c1ccc(cc1)[*:1]
Cc1ccc(-n2cnnc2S[C@H](C)C(=O)c2ccccc2)cc1Cl O=C(c1ccccc1)[*:1] Cc1ccc(cc1Cl)-n1cnnc1S[C@H](C)[*:1]
Cc1ccc(-n2cnnc2S[C@H](C)C(=O)c2ccccc2)cc1Cl Cc1ccc(cc1Cl)[*:1] C[C@@H](Sc1nncn1[*:1])C(=O)c1ccccc1
Cc1ccc(-n2cnnc2S[C@H](C)C(=O)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)-n1cnnc1S[C@H](C)C(=O)[*:1]
O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(c1cc2ccccc2o1)N1CCC(CC1)C[*:1]
O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1cc2ccccc2o1)N1CCC(CC1)CNC(=O)[*:1]
O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccccc1 c1ccc2oc(cc2c1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1ccccc1
Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2cccc(Br)c2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])/C(=C\c1ccco1)NC(=O)c1cccc(Br)c1
Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)/C(=C\c1ccco1)NC(=O)[*:1]
Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2cccc(Br)c2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)NC(=O)C(=C[*:1])NC(=O)c1cccc(Br)c1
NC(=O)COc1cccc(NC(=O)C[C@@H]2C=CCC2)c1 NC(=O)[*:1] O=C(C[C@@H]1C=CCC1)Nc1cccc(c1)OC[*:1]
NC(=O)COc1cccc(NC(=O)C[C@@H]2C=CCC2)c1 NC(=O)CO[*:1] O=C(C[C@@H]1C=CCC1)Nc1cccc(c1)[*:1]
NC(=O)COc1cccc(NC(=O)C[C@@H]2C=CCC2)c1 NC(=O)C[*:1] O=C(C[C@@H]1C=CCC1)Nc1cccc(c1)O[*:1]
COC(=O)Nc1ccc(CNC(=O)[C@H]2CCCc3ccccc32)cc1 COC(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])[C@H]1CCCc2ccccc21
Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@]23C(=O)N(C)c2ccccc23)no1 Cc1cc(no1)[*:1] Cc1cc2oc3C(=O)N([C@@]4(C(=O)N(C)c5ccccc54)c3c(=O)c2cc1C)[*:1]
CCc1nc(C[NH2+]C2CC2)cs1 C1CC1[*:1] CCc1nc(cs1)C[NH2+][*:1]
CCC[NH+]1CCC(NC(=O)c2ccc(Br)nc2)CC1 CCC[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1ccc(Br)nc1
COc1nn(C)cc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 COc1nn(C)cc1[*:1] O=C1C[C@@H](CN1c1ccccc1)c1nnc(NC(=O)[*:1])o1
COc1nn(C)cc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 c1ccc(cc1)[*:1] COc1nn(C)cc1C(=O)Nc1nnc(o1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(NC(=S)N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)NC(=S)N[C@H](NC(=O)[*:1])C(Cl)(Cl)Cl
Cc1ccc(NC(=S)N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 ClC(Cl)(Cl)[*:1] Cc1ccc(cc1)NC(=S)N[C@H](NC(=O)c1cccs1)[*:1]
Cc1ccc(NC(=S)N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 O=C(N[*:1])c1cccs1 Cc1ccc(cc1)NC(=S)N[C@H](C(Cl)(Cl)Cl)[*:1]
Cc1ccc(NC(=S)N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@@H](NC(=S)N[*:1])C(Cl)(Cl)Cl)c1cccs1
CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cccs1 c1csc(c1)[*:1] CN1c2ccccc2-c2nc3ccccc3n2[C@H]1[*:1]
Cc1csc(NC(=O)/C=C/c2ccccc2Cl)n1 Cc1csc(n1)[*:1] O=C(/C=C/c1ccccc1Cl)N[*:1]
CC(C)CCC(=O)N1CCN(C(=O)NCc2ncn(C)n2)CC1 CC(C)C[*:1] Cn1cnc(CNC(=O)N2CCN(CC2)C(=O)C[*:1])n1
CC(C)CCC(=O)N1CCN(C(=O)NCc2ncn(C)n2)CC1 Cn1cnc(n1)[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)NC[*:1]
CC(C)CCC(=O)N1CCN(C(=O)NCc2ncn(C)n2)CC1 CC(C)[*:1] Cn1cnc(CNC(=O)N2CCN(CC2)C(=O)CC[*:1])n1
CC(C)CCC(=O)N1CCN(C(=O)NCc2ncn(C)n2)CC1 CC(C)CC[*:1] Cn1cnc(CNC(=O)N2CCN(CC2)C(=O)[*:1])n1
CC(C)CCC(=O)N1CCN(C(=O)NCc2ncn(C)n2)CC1 Cn1cnc(C[*:1])n1 CC(C)CCC(=O)N1CCN(CC1)C(=O)N[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cnnn2)cc1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)-n1cnnn1
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1ccc(cc1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 C[C@@H](C1CC1)[*:1] CN(C(=O)c1ccc(cc1)[N-]S(=O)(=O)c1cccs1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 C1CC1[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)[N-]S(=O)(=O)c1cccs1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 c1csc(c1)[*:1] C[C@@H](C1CC1)N(C)C(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)N[C@@H]1C=C[C@H](CO)C1 c1cnn(c1)[*:1] O=C(NC[C@@H](c1ccc(Cl)cc1)[*:1])N[C@@H]1C=C[C@H](CO)C1
O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)N[C@@H]1C=C[C@H](CO)C1 Clc1ccc(cc1)[*:1] O=C(NC[C@@H](n1cccn1)[*:1])N[C@@H]1C=C[C@H](CO)C1
O=C(CCc1ccccc1F)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 c1cc(ccn1)[*:1] O=C(CCc1ccccc1F)N1CC[C@H](C1)c1cc(=O)[nH]c(n1)[*:1]
O=C(CCc1ccccc1F)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 Fc1ccccc1C[*:1] O=C(C[*:1])N1CC[C@H](C1)c1cc(=O)[nH]c(n1)-c1ccncc1
O=C(CCc1ccccc1F)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 Fc1ccccc1CC[*:1] O=C(N1CC[C@H](C1)c1cc(=O)[nH]c(n1)-c1ccncc1)[*:1]
O=C(CCc1ccccc1F)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 Fc1ccccc1[*:1] O=C(CC[*:1])N1CC[C@H](C1)c1cc(=O)[nH]c(n1)-c1ccncc1
C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N(C)C[C@@H]3CCOC3)c2)C1 C1C[C@H](CO1)[*:1] C[C@H]1CCC[C@H](C1)OCc1cccc(c1)NC(=O)N(C)C[*:1]
C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N(C)C[C@@H]3CCOC3)c2)C1 C1C[C@H](CO1)C[*:1] C[C@H]1CCC[C@H](C1)OCc1cccc(c1)NC(=O)N(C)[*:1]
CC(=O)c1ccc(C(F)(F)C(=O)[O-])n1C CC(=O)[*:1] Cn1c(ccc1[*:1])C(F)(F)C(=O)[O-]
CC(=O)c1ccc(C(F)(F)C(=O)[O-])n1C O=C([O-])[*:1] CC(=O)c1ccc(n1C)C(F)(F)[*:1]
CC(=O)N[C@H](CC(=O)NCc1ccc[nH+]c1N(C)C)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@H](CC(=O)NCc1ccc[nH+]c1N(C)C)[*:1]
CC(=O)N[C@H](CC(=O)NCc1ccc[nH+]c1N(C)C)c1cccs1 CC(=O)N[*:1] CN(C)c1[nH+]cccc1CNC(=O)C[C@H](c1cccs1)[*:1]
CC(=O)N[C@H](CC(=O)NCc1ccc[nH+]c1N(C)C)c1cccs1 CN(C)[*:1] CC(=O)N[C@H](CC(=O)NCc1ccc[nH+]c1[*:1])c1cccs1
CC(C)n1nccc1NC(=O)CN1CC2(CC[NH+](C)CC2)Oc2ccccc2C1=O CC(C)n1nccc1[*:1] C[NH+]1CCC2(CC1)CN(CC(=O)N[*:1])C(=O)c1ccccc1O2
CC(C)n1nccc1NC(=O)CN1CC2(CC[NH+](C)CC2)Oc2ccccc2C1=O CC(C)[*:1] C[NH+]1CCC2(CC1)CN(CC(=O)Nc1ccnn1[*:1])C(=O)c1ccccc1O2
O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(c(Cl)c1)-n1ccnc1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 c1cn(cn1)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)cc1
COC[C@@H](O)CNC(=O)N[C@H](C)c1ncc(C)s1 COC[C@@H](O)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NC[*:1]
COC[C@@H](O)CNC(=O)N[C@H](C)c1ncc(C)s1 COC[C@@H](O)C[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N[*:1]
COC[C@@H](O)CNC(=O)N[C@H](C)c1ncc(C)s1 COC[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NC[C@H](O)[*:1]
COC[C@@H](O)CNC(=O)N[C@H](C)c1ncc(C)s1 Cc1cnc(s1)[*:1] COC[C@@H](O)CNC(=O)N[C@H](C)[*:1]
COc1ccc(-c2cc(C(=O)Nc3nnc(C4CC4)s3)sc2C)cc1 C1CC1[*:1] COc1ccc(cc1)-c1cc(sc1C)C(=O)Nc1nnc(s1)[*:1]
COc1ccc(-c2cc(C(=O)Nc3nnc(C4CC4)s3)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(cc1[*:1])C(=O)Nc1nnc(s1)C1CC1
COc1ccc(-c2cc(C(=O)Nc3nnc(C4CC4)s3)sc2C)cc1 C1CC1c1nnc(s1)[*:1] COc1ccc(cc1)-c1cc(sc1C)C(=O)N[*:1]
CCCN(CCC)c1nc(C(C)C)c(C[NH3+])s1 CCC[*:1] CCCN(c1nc(c(C[NH3+])s1)C(C)C)[*:1]
CCCN(CCC)c1nc(C(C)C)c(C[NH3+])s1 CC(C)[*:1] CCCN(CCC)c1nc(c(C[NH3+])s1)[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 Clc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1cccs1
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 c1csc(c1)[*:1] O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 Clc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1cccs1
C=CCC[C@H](C)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 C=CCC[*:1] C[C@H](N1CCN(CC1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1)[*:1]
C=CCC[C@H](C)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 C=CCC[C@H](C)[*:1] O=S1(=O)CC[C@@H](C1)S(=O)(=O)N1CCN(CC1)[*:1]
C=CCC[C@H](C)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 C=CC[*:1] C[C@@H](C[*:1])N1CCN(CC1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1
C=CCC[C@H](C)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 O=S1(=O)CC[C@@H](C1)[*:1] C=CCC[C@H](C)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCC(=O)N1CCCC1)c1cc2c(s1)-c1ccccc1CC2 O=C(C[*:1])N1CCCC1 O=C(N[*:1])c1cc2CCc3ccccc3-c2s1
O=C(NCC(=O)N1CCCC1)c1cc2c(s1)-c1ccccc1CC2 O=C(N1CCCC1)[*:1] O=C(NC[*:1])c1cc2CCc3ccccc3-c2s1
CN(Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] CN(Cc1nc2scc(c2c(=O)[nH]1)[*:1])[C@H]1CCS(=O)(=O)C1
Cn1cc(/C=C2/Cc3c(O)cccc3C2=O)cn1 Cn1cc(cn1)[*:1] O=C1C(=C[*:1])Cc2c(O)cccc21
O=C(Nc1c[nH]nc1-c1ccccn1)N1CCC(C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] O=C(Nc1c[nH]nc1-c1ccccn1)N1CCC(CC1)[*:1]
O=C(Nc1c[nH]nc1-c1ccccn1)N1CCC(C(=O)N2CCCC2)CC1 c1ccc(nc1)[*:1] O=C(Nc1c[nH]nc1[*:1])N1CCC(CC1)C(=O)N1CCCC1
CN(Cc1nccs1)C1=NS(=O)(=O)c2ccccc21 c1csc(C[*:1])n1 CN(C1=NS(=O)(=O)c2ccccc21)[*:1]
CN(Cc1nccs1)C1=NS(=O)(=O)c2ccccc21 c1csc(n1)[*:1] CN(C[*:1])C1=NS(=O)(=O)c2ccccc21
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(Br)c1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)[*:1])C(=O)Nc1cccc(Br)c1
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(Br)c1 CC[C@H](C)[*:1] O=C(N[C@H](C(=O)Nc1cccc(Br)c1)[*:1])c1ccccc1
CC/[NH+]=C(\NCc1ccc(C)cc1)NCc1cnc(C)s1 Cc1ncc(C[*:1])s1 CC/[NH+]=C(\NCc1ccc(C)cc1)N[*:1]
CC/[NH+]=C(\NCc1ccc(C)cc1)NCc1cnc(C)s1 Cc1ncc(s1)[*:1] CC/[NH+]=C(\NCc1ccc(C)cc1)NC[*:1]
CC/[NH+]=C(\NCc1ccc(C)cc1)NCc1cnc(C)s1 Cc1ccc(cc1)[*:1] CC/[NH+]=C(/NCc1cnc(C)s1)NC[*:1]
C[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 Clc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CCS(=O)(=O)[*:1]
CN1C(=O)C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)[C@@H]1c1cccs1 c1csc(c1)[*:1] CN1C(=O)C[C@@H](C(=O)Nc2ccc3OCOc3c2)[C@H]1[*:1]
CC(=O)[C@@H](C)SCC(=O)N1CCN(c2ncccn2)CC1 CC(=O)[*:1] C[C@@H](SCC(=O)N1CCN(CC1)c1ncccn1)[*:1]
CC(=O)[C@@H](C)SCC(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CC(=O)[C@@H](C)SCC(=O)N1CCN(CC1)[*:1]
Cc1ccccc1[C@@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(N)n2)C1 Cc1ccccc1[*:1] C[C@H]1C[C@H](CN1c1ncc(c(N)n1)[N+](=O)[O-])[*:1]
Cc1ccccc1[C@@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(N)n2)C1 O=[N+]([O-])[*:1] Cc1ccccc1[C@@H]1C[C@H](C)N(C1)c1ncc(c(N)n1)[*:1]
COCC[C@@H](C)/C([O-])=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F COC[*:1] C[C@H](C[*:1])/C([O-])=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F
COCC[C@@H](C)/C([O-])=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F FC(F)(F)[*:1] COCC[C@@H](C)/C([O-])=N/S(=O)(=O)c1ccc(C#N)cc1[*:1]
COCC[C@@H](C)/C([O-])=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F COCC[*:1] C[C@@H](/C([O-])=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[*:1]
CN(C)c1nc(CNS(=O)(=O)c2ccc3ccccc3c2)cs1 CN(C)[*:1] O=S(=O)(NCc1csc(n1)[*:1])c1ccc2ccccc2c1
Cn1cnc(CNC(=O)NCc2cccc(NC(=O)C3CCC3)c2)n1 Cn1cnc(C[*:1])n1 O=C(NCc1cccc(c1)NC(=O)C1CCC1)N[*:1]
Cn1cnc(CNC(=O)NCc2cccc(NC(=O)C3CCC3)c2)n1 Cn1cnc(n1)[*:1] O=C(NCc1cccc(c1)NC(=O)C1CCC1)NC[*:1]
Cn1cnc(CNC(=O)NCc2cccc(NC(=O)C3CCC3)c2)n1 C1CC(C1)[*:1] Cn1cnc(CNC(=O)NCc2cccc(c2)NC(=O)[*:1])n1
Cn1cnc(CNC(=O)NCc2cccc(NC(=O)C3CCC3)c2)n1 O=C(N[*:1])C1CCC1 Cn1cnc(CNC(=O)NCc2cccc(c2)[*:1])n1
CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CC1)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 CCC[*:1] C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(CC1)c1ccc(O)cc1)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 CCC[C@H](C)[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)c1ccc(O)cc1
Cc1cccc2c(C(=O)NC(C)C)cc(=O)[nH]c12 CC(C)NC(=O)[*:1] Cc1cccc2c(cc(=O)[nH]c12)[*:1]
Cc1cccc2c(C(=O)NC(C)C)cc(=O)[nH]c12 CC(C)[*:1] Cc1cccc2c(cc(=O)[nH]c12)C(=O)N[*:1]
Cc1ccc(NC(=O)C(C)C)c(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 NC(=O)[*:1] Cc1ccc(NC(=O)C(C)C)c(c1)C(=O)N[C@@H](Cc1ccccc1)[*:1]
Cc1ccc(NC(=O)C(C)C)c(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)C(C)C)c(c1)C(=O)N[C@@H](C(N)=O)[*:1]
Cc1ccc(NC(=O)C(C)C)c(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 CC(C)C(=O)N[*:1] Cc1ccc(c(c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[*:1]
Cc1ccc(NC(=O)C(C)C)c(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C(C)C)c(c1)C(=O)N[C@@H](C[*:1])C(N)=O
Cc1ccc(NC(=O)C(C)C)c(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 CC(C)[*:1] Cc1ccc(NC(=O)[*:1])c(c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
CC[C@@H](NC(=O)CC1CCSCC1)c1ccc(C)c(F)c1 C1CC(CCS1)C[*:1] CC[C@@H](NC(=O)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)CC1CCSCC1)c1ccc(C)c(F)c1 C1CC(CCS1)[*:1] CC[C@@H](NC(=O)C[*:1])c1ccc(C)c(F)c1
COc1ccc(Cl)cc1NC(=O)CNC(=O)COc1ccccc1 c1ccc(cc1)O[*:1] COc1ccc(Cl)cc1NC(=O)CNC(=O)C[*:1]
COc1ccc(Cl)cc1NC(=O)CNC(=O)COc1ccccc1 c1ccc(cc1)OC[*:1] COc1ccc(Cl)cc1NC(=O)CNC(=O)[*:1]
COc1ccc(Cl)cc1NC(=O)CNC(=O)COc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)CNC(=O)CO[*:1]
O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1c[nH]c2cccc(F)c12 c1c[nH]c(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1c[nH]c2cccc(F)c12
C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C[NH+](C)C O=[N+]([O-])[*:1] C[C@H](NC(=O)c1ccn(n1)-c1ccc(cc1)[*:1])C(C)(C)C[NH+](C)C
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)s2)c[nH+]c1N1CCCC1 O=C([O-])[*:1] O=S(=O)([N-]c1c[nH+]c(c(c1)[*:1])N1CCCC1)c1ccc(Br)s1
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)s2)c[nH+]c1N1CCCC1 C1CCN(C1)[*:1] O=C([O-])c1cc(c[nH+]c1[*:1])[N-]S(=O)(=O)c1ccc(Br)s1
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)s2)c[nH+]c1N1CCCC1 Brc1ccc(s1)[*:1] O=C([O-])c1cc(c[nH+]c1N1CCCC1)[N-]S(=O)(=O)[*:1]
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3[nH+]2)CC1 c1cc2OCOc2cc1[*:1] CC[NH+]1CCN(CC1)c1cc(C)c2cc(ccc2[nH+]1)NC(=O)[*:1]
Cc1cc(CC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)no1 Cc1cc(no1)[*:1] C[C@H]1C[C@H](C)CC[C@H]1NC(=O)C[*:1]
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cscn1 c1nc(cs1)C[*:1] C=CCN(Cc1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cscn1 C=CC[*:1] O=C(NCc1cscn1)N(Cc1cccc(c1)[N+](=O)[O-])[*:1]
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cscn1 c1nc(cs1)[*:1] C=CCN(Cc1cccc(c1)[N+](=O)[O-])C(=O)NC[*:1]
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cscn1 O=[N+]([O-])[*:1] C=CCN(Cc1cccc(c1)[*:1])C(=O)NCc1cscn1
Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F
Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1S(=O)(=O)N(C)C c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)c1cnn(c1C(F)(F)F)[*:1]
Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1S(=O)(=O)N(C)C FC(F)(F)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)c1cnn(-c2ccccc2)c1[*:1]
COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](CO)c3cnn(C)c3)s2)cc1 Cn1cc(cn1)[*:1] COc1ccc(cc1)-c1nc(C)c(s1)[C@H](C)[NH2+][C@@H](CO)[*:1]
COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](CO)c3cnn(C)c3)s2)cc1 COc1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@@H](CO)c1cnn(C)c1)[*:1]
COc1ccccc1C1(CNC(=O)c2cnc(C)cn2)CCCC1 Cc1cnc(cn1)[*:1] COc1ccccc1C1(CCCC1)CNC(=O)[*:1]
COc1ccccc1C1(CNC(=O)c2cnc(C)cn2)CCCC1 COc1ccccc1[*:1] Cc1cnc(cn1)C(=O)NCC1(CCCC1)[*:1]
CCOC(=O)C1(c2nc(Cc3nc(C)cs3)no2)CCC1 Cc1csc(C[*:1])n1 CCOC(=O)C1(CCC1)c1nc(no1)[*:1]
CCOC(=O)C1(c2nc(Cc3nc(C)cs3)no2)CCC1 Cc1csc(n1)[*:1] CCOC(=O)C1(CCC1)c1nc(C[*:1])no1
CCOC(=O)C1(c2nc(Cc3nc(C)cs3)no2)CCC1 CCOC(=O)[*:1] Cc1csc(Cc2noc(n2)C2(CCC2)[*:1])n1
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(s1)S(=O)(=O)N1CCCC1)[*:1]
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(Cl)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(NCc1ccc(s1)[*:1])c1ccc(Cl)cc1
Cc1cc(C(=O)O[C@@H](C)[C@H]2CCCO2)nn1-c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cc1cc(nn1[*:1])C(=O)O[C@@H](C)[C@H]1CCCO1
CCSc1ncc(Cl)c(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)n1 CC(C)c1ccc(cc1)[*:1] CCSc1ncc(Cl)c(n1)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCSc1ncc(Cl)c(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)n1 CCSc1ncc(Cl)c(n1)[*:1] CC(C)c1ccc(cc1)CN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
CCSc1ncc(Cl)c(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)n1 CC(C)[*:1] CCSc1ncc(Cl)c(n1)C(=O)N(Cc1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCSc1ncc(Cl)c(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)n1 CC(C)c1ccc(cc1)C[*:1] CCSc1ncc(Cl)c(n1)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCSc1ncc(Cl)c(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)n1 CCS[*:1] CC(C)c1ccc(cc1)CN(C(=O)c1nc(ncc1Cl)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C1CCc2cc(F)c([N+](=O)[O-])cc2N1 O=[N+]([O-])[*:1] O=C1CCc2cc(F)c(cc2N1)[*:1]
C[C@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)c1ccc(N2CCCC2=O)cc1 c1cnn(c1)[*:1] C[C@H](NC(=O)CN(C)C(=O)[C@H](C)[*:1])c1ccc(cc1)N1CCCC1=O
CCCCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 CCCCNC(=O)[*:1] FC(F)(F)c1nc(no1)-c1ccc(cc1)[*:1]
CCCCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 CCCC[*:1] O=C(N[*:1])c1ccc(cc1)-c1noc(n1)C(F)(F)F
CCCCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 CCC[*:1] O=C(NC[*:1])c1ccc(cc1)-c1noc(n1)C(F)(F)F
CCCCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 FC(F)(F)[*:1] CCCCNC(=O)c1ccc(cc1)-c1noc(n1)[*:1]
O=C(N[C@@H]1CCOC1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCOC1)N1CCc2ccccc2[C@@H]1C[*:1]
O=C(N[C@@H]1CCOC1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@@H]1CCOC1)N1CCc2ccccc2[C@H]1[*:1]
O=C(N[C@@H]1CCOC1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 C1C[C@H](CO1)[*:1] O=C(N[*:1])N1CCc2ccccc2[C@@H]1Cc1ccccc1
Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)C(C)(C)C CC(C)(C)[*:1] Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)[*:1]
Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)C(C)(C)C CC(C)(C)C(=O)CS[*:1] Cn1c(CSc2nc3ccccc3s2)nnc1[*:1]
Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)C(C)(C)C CC(C)(C)C(=O)C[*:1] Cn1c(CSc2nc3ccccc3s2)nnc1S[*:1]
Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)C(C)(C)C CC(C)(C)C(=O)[*:1] Cn1c(CSc2nc3ccccc3s2)nnc1SC[*:1]
CN(CC1CCN(C(=O)CC2CCCC2)CC1)C(=O)OC(C)(C)C C1CCC(C1)[*:1] CN(CC1CCN(CC1)C(=O)C[*:1])C(=O)OC(C)(C)C
CN(CC1CCN(C(=O)CC2CCCC2)CC1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(CC1CCN(CC1)C(=O)CC1CCCC1)C(=O)O[*:1]
CN(CC1CCN(C(=O)CC2CCCC2)CC1)C(=O)OC(C)(C)C C1CCC(C1)C[*:1] CN(CC1CCN(CC1)C(=O)[*:1])C(=O)OC(C)(C)C
Cn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCc1cn2cc(Cl)ccc2n1
CNC(=O)CC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 CNC(=O)C[*:1] O=C(N[C@@H]1C[C@H]1c1ccccc1F)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 CNC(=O)[*:1] O=C(N[C@@H]1C[C@H]1c1ccccc1F)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 Fc1ccccc1[*:1] CNC(=O)CC1CCN(CC1)C(=O)N[C@@H]1C[C@@H]1[*:1]
Cc1cc(Br)ccc1C[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 Cc1cc(Br)ccc1[*:1] Cn1cc(cn1)C(=O)NC1CC[NH+](CC1)C[*:1]
Cc1cc(Br)ccc1C[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] Cc1cc(Br)ccc1C[NH+]1CCC(CC1)NC(=O)[*:1]
CC[NH2+][C@H](C)C(C)(C)CN1CC[NH+](C2CC2)CC1 C1CC1[*:1] CC[NH2+][C@H](C)C(C)(C)CN1CC[NH+](CC1)[*:1]
C=CCN1C(=O)[C@@H]2[C@H](C(=O)NC)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C=CCN1C(=O)[C@@H]2[C@H](C(=O)NC)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[*:1]
C=CCN1C(=O)[C@@H]2[C@H](C(=O)NC)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 CNC(=O)[*:1] C=CCN1C(=O)[C@@H]2[C@H]([C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)[*:1]
C=CCN1C(=O)[C@@H]2[C@H](C(=O)NC)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] C=CCN1C(=O)[C@@H]2[C@H](C(=O)NC)[C@H]3C=C[C@@]2(O3)[C@@H]1[*:1]
C=CCN1C(=O)[C@@H]2[C@H](C(=O)NC)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 C=CC[*:1] CNC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C(=O)[C@H]13)[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)CC(C)(C)C CC(C)(C)[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)CC(C)(C)C CC(C)(C)C[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)[*:1]
CCc1nsc(N2CCN(C(=O)N[C@H]3CC=CCC3)CC2)n1 CCc1nsc(n1)[*:1] O=C(N[C@H]1CC=CCC1)N1CCN(CC1)[*:1]
COc1cc(C)ccc1OCC(=O)N[C@H](C)Cc1ccccc1C Cc1ccccc1C[*:1] COc1cc(C)ccc1OCC(=O)N[C@H](C)[*:1]
COc1cc(C)ccc1OCC(=O)N[C@H](C)Cc1ccccc1C Cc1ccccc1[*:1] COc1cc(C)ccc1OCC(=O)N[C@H](C)C[*:1]
COCCNC(=O)[C@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 COC[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nc2c(csc2c(=O)[nH]1)-c1ccccc1
COCCNC(=O)[C@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 c1ccc(cc1)[*:1] COCCNC(=O)[C@H]1CCCN(C1)c1nc2c(csc2c(=O)[nH]1)[*:1]
COCCNC(=O)[C@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 COCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2c(csc2c(=O)[nH]1)-c1ccccc1
COCCNC(=O)[C@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 COCCNC(=O)[*:1] O=c1[nH]c(nc2c(csc12)-c1ccccc1)N1CCC[C@@H](C1)[*:1]
COC(=O)CNC(=O)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1 COC(=O)[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2
COC(=O)CNC(=O)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1 COC(=O)C[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2
COC(=O)CNC(=O)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)cc1 COC(=O)CNC(=O)[*:1] O=C1CC[C@]2(Sc3ccc(Cl)cc3N12)C(=O)Nc1ccc(cc1)[*:1]
C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOC1CCCC1 NC(=O)[*:1] C[NH2+][C@]1(CCC[C@H]1CCOC1CCCC1)[*:1]
C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOC1CCCC1 C1CCC(C1)[*:1] C[NH2+][C@]1(CCC[C@H]1CCO[*:1])C(N)=O
C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOC1CCCC1 C1CCC(C1)O[*:1] C[NH2+][C@]1(CCC[C@H]1CC[*:1])C(N)=O
COC(=O)c1c(Br)cccc1Br COC(=O)[*:1] Brc1cccc(Br)c1[*:1]
CCN(c1ccc(-c2csc(Nc3ccccn3)n2)cc1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] c1ccc(nc1)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CCN(c1ccc(-c2csc(Nc3ccccn3)n2)cc1)S(C)(=O)=O c1ccc(nc1)N[*:1] CCN(c1ccc(cc1)-c1csc(n1)[*:1])S(C)(=O)=O
CCN(c1ccc(-c2csc(Nc3ccccn3)n2)cc1)S(C)(=O)=O c1ccc(nc1)[*:1] CCN(c1ccc(cc1)-c1csc(n1)N[*:1])S(C)(=O)=O
CCOc1ccc(S(=O)(=O)N[C@@H](C)CC)c2ccccc12 CCO[*:1] CC[C@H](C)NS(=O)(=O)c1ccc(c2ccccc12)[*:1]
CCOc1ccc(S(=O)(=O)N[C@@H](C)CC)c2ccccc12 CC[C@H](C)[*:1] CCOc1ccc(c2ccccc12)S(=O)(=O)N[*:1]
COc1ccccc1[C@@H](C)NC(=O)CSc1nccn1-c1ccccc1C COc1ccccc1[*:1] Cc1ccccc1-n1ccnc1SCC(=O)N[C@H](C)[*:1]
COc1ccccc1[C@@H](C)NC(=O)CSc1nccn1-c1ccccc1C Cc1ccccc1[*:1] COc1ccccc1[C@@H](C)NC(=O)CSc1nccn1[*:1]
CC(C)[C@](C)(C#N)NC(=O)COc1ccccc1C#N CC(C)[*:1] C[C@](C#N)(NC(=O)COc1ccccc1C#N)[*:1]
O=C1/C(=C/c2ccccc2)CCCc2ccccc21 c1ccc(cc1)[*:1] O=C1C(=C[*:1])CCCc2ccccc21
CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCC)=C1C CCOC(=O)[*:1] CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(=C1C)[*:1]
CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCC)=C1C CCOC(=O)[*:1] CCOC(=O)C1=C(C)N(C[*:1])C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12
CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCC)=C1C CCOC(=O)C[*:1] CCOC(=O)C1=C(C)N(C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12)[*:1]
CC[C@H](C(=O)N1CCCC[C@@H]1C[C@@H](C)O)c1ccccc1 C[C@@H](O)[*:1] CC[C@H](C(=O)N1CCCC[C@@H]1C[*:1])c1ccccc1
CC[C@H](C(=O)N1CCCC[C@@H]1C[C@@H](C)O)c1ccccc1 C[C@@H](O)C[*:1] CC[C@H](C(=O)N1CCCC[C@H]1[*:1])c1ccccc1
CC[C@H](C(=O)N1CCCC[C@@H]1C[C@@H](C)O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCCC[C@@H]1C[C@@H](C)O)[*:1]
[NH3+][C@@H]1CCN(c2ncccc2-c2nc(-c3ccccn3)no2)C1 c1ccc(nc1)[*:1] [NH3+][C@@H]1CCN(C1)c1ncccc1-c1nc(no1)[*:1]
COc1cc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc(OC)c1OC O=[N+]([O-])[*:1] COc1cc(cc(OC)c1OC)CNC(=O)c1ccc(o1)[*:1]
COc1cc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc(OC)c1OC O=[N+]([O-])c1ccc(o1)[*:1] COc1cc(cc(OC)c1OC)CNC(=O)[*:1]
COc1cccc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)c1OC COc1cccc(c1OC)[*:1] O=C(N1CCC(CC1)c1nnc(o1)-c1ccc(F)cc1)[*:1]
COc1cccc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)c1OC Fc1ccc(cc1)[*:1] COc1cccc(C(=O)N2CCC(CC2)c2nnc(o2)[*:1])c1OC
Cc1ccc(C)c(S(=O)(=O)NCc2nc(-c3ccccc3)no2)c1 Cc1ccc(C)c(c1)[*:1] O=S(=O)(NCc1nc(no1)-c1ccccc1)[*:1]
Cc1ccc(C)c(S(=O)(=O)NCc2nc(-c3ccccc3)no2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NCc1nc(no1)[*:1]
Cc1cc(C)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2n1 Clc1ccc(cc1)[*:1] Cc1cc(C)c2ccc(=O)n(C[*:1])c2n1
CC(=O)Nc1ccc(-c2nc3ccc(C)cc3c(=O)o2)cc1 CC(=O)N[*:1] Cc1ccc2nc(oc(=O)c2c1)-c1ccc(cc1)[*:1]
COc1ccc(OCC(=O)N2CCN(c3nc4c(C)cccc4s3)CC2)cc1 COc1ccc(cc1)[*:1] Cc1cccc2sc(nc12)N1CCN(CC1)C(=O)CO[*:1]
COc1ccc(OCC(=O)N2CCN(c3nc4c(C)cccc4s3)CC2)cc1 COc1ccc(cc1)O[*:1] Cc1cccc2sc(nc12)N1CCN(CC1)C(=O)C[*:1]
CCn1c(C[NH2+][C@@H](CO)C(C)C)nc2ccccc21 CC(C)[*:1] CCn1c(C[NH2+][C@@H](CO)[*:1])nc2ccccc21
CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCS(=O)CC1 FC(F)O[*:1] CN(Cc1cc(ccc1[*:1])[N+](=O)[O-])C1CCS(=O)CC1
CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCS(=O)CC1 O=S1CCC(CC1)[*:1] CN(Cc1cc(ccc1OC(F)F)[N+](=O)[O-])[*:1]
CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCS(=O)CC1 FC(F)[*:1] CN(Cc1cc(ccc1O[*:1])[N+](=O)[O-])C1CCS(=O)CC1
CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCS(=O)CC1 O=[N+]([O-])[*:1] CN(Cc1cc(ccc1OC(F)F)[*:1])C1CCS(=O)CC1
CCOc1cc(Br)c2c(c1)[C@H](O)CC(C)(C)CC2 CCO[*:1] CC1(C)CCc2c(Br)cc(cc2[C@H](O)C1)[*:1]
C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)c1nc(-c2cccnc2)no1 c1cncc(c1)[*:1] C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)c1nc(no1)[*:1]
C[C@H](CNC(=O)NC[C@H]1CCS(=O)(=O)C1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)NC[C@H]1CCS(=O)(=O)C1)N[*:1]
C[C@H](CNC(=O)NC[C@H]1CCS(=O)(=O)C1)Nc1ccccc1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@H](CNC(=O)NC[*:1])Nc1ccccc1
C[C@H](CNC(=O)NC[C@H]1CCS(=O)(=O)C1)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@H](CNC(=O)NC[C@H]1CCS(=O)(=O)C1)[*:1]
COC[C@@]1(C)NC(=O)N(Cc2ccc(Cl)c3cccnc23)C1=O COC[*:1] C[C@]1(NC(=O)N(Cc2ccc(Cl)c3cccnc23)C1=O)[*:1]
CCN(C(=O)Nc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)Nc1cccc(Cl)c1C)[*:1]
O=C(c1cccs1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1 c1ccc(cc1)[*:1] O=C(c1cccs1)N1CCC(CC1)Cc1nnc(o1)[*:1]
O=C(c1cccs1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1 c1csc(c1)[*:1] O=C(N1CCC(CC1)Cc1nnc(o1)-c1ccccc1)[*:1]
O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(NCCn1nc(ccc1=O)-c1ccccc1)[*:1]
O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccc(Br)o1 c1ccc(cc1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])c1ccc(Br)o1
COC[C@H](C)Nc1ncnc(Nc2cc(C)ccc2C)c1N COC[C@H](C)[*:1] Cc1ccc(C)c(c1)Nc1ncnc(N[*:1])c1N
COC[C@H](C)Nc1ncnc(Nc2cc(C)ccc2C)c1N COC[*:1] Cc1ccc(C)c(c1)Nc1ncnc(N[C@@H](C)[*:1])c1N
COC[C@H](C)Nc1ncnc(Nc2cc(C)ccc2C)c1N COC[C@H](C)N[*:1] Cc1ccc(C)c(c1)Nc1ncnc(c1N)[*:1]
Cc1ccc([C@@H](C)NC(=O)NCCCc2nc3ccccc3[nH]2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)NCCCc1nc2ccccc2[nH]1)[*:1]
O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)N[*:1]
O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)NC[*:1]
O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)NCc1ccccc1
CCN(Cc1ccccc1Cl)C(=O)CCc1ccc(C)o1 Cc1ccc(o1)[*:1] CCN(Cc1ccccc1Cl)C(=O)CC[*:1]
CCN(Cc1ccccc1Cl)C(=O)CCc1ccc(C)o1 Cc1ccc(C[*:1])o1 CCN(Cc1ccccc1Cl)C(=O)C[*:1]
CCN(Cc1ccccc1Cl)C(=O)CCc1ccc(C)o1 Clc1ccccc1[*:1] CCN(C[*:1])C(=O)CCc1ccc(C)o1
CC(C)(C)OC(=O)CCN1CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1[*:1] CC(C)(C)OC(=O)CCN1CCN(CC1)C(=O)C[*:1]
CC(C)(C)OC(=O)CCN1CCN(C(=O)Cc2ccccc2F)CC1 CC(C)(C)OC(=O)C[*:1] O=C(Cc1ccccc1F)N1CCN(CC1)C[*:1]
CC(C)(C)OC(=O)CCN1CCN(C(=O)Cc2ccccc2F)CC1 CC(C)(C)OC(=O)[*:1] O=C(Cc1ccccc1F)N1CCN(CC1)CC[*:1]
CC(C)(C)OC(=O)CCN1CCN(C(=O)Cc2ccccc2F)CC1 CC(C)(C)[*:1] O=C(CCN1CCN(CC1)C(=O)Cc1ccccc1F)O[*:1]
CC(C)(C)OC(=O)CCN1CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] CC(C)(C)OC(=O)CCN1CCN(CC1)C(=O)[*:1]
CCc1cc(C(=O)Nc2cc(C)nn2-c2ccc(C)nn2)sc1C Cc1ccc(nn1)[*:1] CCc1cc(sc1C)C(=O)Nc1cc(C)nn1[*:1]
CCc1cc(C(=O)Nc2cc(C)nn2-c2ccc(C)nn2)sc1C CCc1cc(sc1C)[*:1] Cc1ccc(nn1)-n1nc(C)cc1NC(=O)[*:1]
Cc1ccc(-n2c(SC(C)C)nnc2-c2ccccc2)cc1 CC(C)S[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])-c1ccccc1
Cc1ccc(-n2c(SC(C)C)nnc2-c2ccccc2)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccc1)S[*:1]
Cc1ccc(-n2c(SC(C)C)nnc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SC(C)C
Cc1ccc(-n2c(SC(C)C)nnc2-c2ccccc2)cc1 Cc1ccc(cc1)[*:1] CC(C)Sc1nnc(-c2ccccc2)n1[*:1]
Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc(Cl)s2)c(Cl)n1 Clc1ccc(s1)[*:1] Cc1cc(C)c(NC(=O)N[C@@H](C)[*:1])c(Cl)n1
CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nnc(C)o3)c2)C1 Cc1nnc(o1)[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)OCCO2 NC(=O)[*:1] O=C(c1ccc2OCCOc2c1)N1c2ccccc2C[C@H]1[*:1]
CCOc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)ccn1 CCO[*:1] O=C(NCc1ccnc(c1)[*:1])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
CCOc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)ccn1 FC(F)(F)[*:1] CCOc1cc(ccn1)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1[*:1]
Cc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc2[nH]ccc2c1)[*:1]
CC(C)N(Cc1nnc2n(C)c(=O)c3ccccc3n12)C[C@H]1CCCCO1 CC(C)[*:1] Cn1c(=O)c2ccccc2n2c(CN(C[C@H]3CCCCO3)[*:1])nnc12
CC(C)c1cc(C(=O)Nc2cc(F)ccc2F)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)Nc1cc(F)ccc1F
CN1C=C/C(=C\C=C/C=N\c2ccc(C(=O)[O-])cc2)c2ccccc21 O=C([O-])[*:1] CN1C=C/C(=C\C=C/C=N\c2ccc(cc2)[*:1])c2ccccc21
O=Cc1cc(-c2cc(O)cc(C(F)(F)F)c2)cs1 FC(F)(F)[*:1] O=Cc1cc(cs1)-c1cc(O)cc(c1)[*:1]
CCSCC[C@@H](C)N(C)C(=O)N[C@@H]1CCC[C@H](C)C1 CCS[*:1] C[C@H]1CCC[C@H](C1)NC(=O)N(C)[C@H](C)CC[*:1]
CCSCC[C@@H](C)N(C)C(=O)N[C@@H]1CCC[C@H](C)C1 CCSC[*:1] C[C@H]1CCC[C@H](C1)NC(=O)N(C)[C@H](C)C[*:1]
CCSCC[C@@H](C)N(C)C(=O)N[C@@H]1CCC[C@H](C)C1 CCSCC[*:1] C[C@H]1CCC[C@H](C1)NC(=O)N(C)[C@H](C)[*:1]
CSCCCCNC(=O)C(=O)Nc1ccccc1Cl CSC[*:1] O=C(NCCC[*:1])C(=O)Nc1ccccc1Cl
CSCCCCNC(=O)C(=O)Nc1ccccc1Cl CSCCC[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1Cl
CSCCCCNC(=O)C(=O)Nc1ccccc1Cl CSCC[*:1] O=C(NCC[*:1])C(=O)Nc1ccccc1Cl
CSCCCCNC(=O)C(=O)Nc1ccccc1Cl CSCCCC[*:1] O=C(Nc1ccccc1Cl)C(=O)N[*:1]
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(c2ccncc2)CC1 c1cc(ccn1)[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(CC1)[*:1]
CN(C)c1ccccc1NC(=O)NCCCc1nnc2n1CCCCC2 CN(C)[*:1] O=C(NCCCc1nnc2CCCCCn21)Nc1ccccc1[*:1]
Cc1cc(C)c2cc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)[nH]c2c1 c1cn(cn1)[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
O[C@H](CSC1CCCC1)[C@H]1CCOC2(CCCCC2)C1 C1CCC(C1)S[*:1] O[C@H](C[*:1])[C@H]1CCOC2(CCCCC2)C1
O[C@H](CSC1CCCC1)[C@H]1CCOC2(CCCCC2)C1 C1CCC(C1)[*:1] O[C@H](CS[*:1])[C@H]1CCOC2(CCCCC2)C1
COC[C@H](NC(=O)[C@H](C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 COC[*:1] COc1ccc(cc1)[C@@H](C)C(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
COC[C@H](NC(=O)[C@H](C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 COc1ccc(cc1)[*:1] COC[C@H](NC(=O)[C@H](C)[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)[C@H](C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)[C@H](C)c1ccc(cc1)OC)[*:1]
COc1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2nccs2)cc1OC c1csc(n1)[*:1] COc1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)N[*:1])cc1OC
COc1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2nccs2)cc1OC O=C(Nc1nccs1)[*:1] COc1ccc(/C=C(/NC(=O)C(C)(C)C)[*:1])cc1OC
COc1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2nccs2)cc1OC CC(C)(C)[*:1] COc1ccc(/C=C(/NC(=O)[*:1])C(=O)Nc2nccs2)cc1OC
COc1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2nccs2)cc1OC CC(C)(C)C(=O)N[*:1] COc1ccc(C=C(C(=O)Nc2nccs2)[*:1])cc1OC
CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(C)c1)S2 Cc1cccc(c1)NC(=O)[*:1] CCCc1nnc2S[C@@H]([C@H](Nn12)c1ccc(cc1)CC)[*:1]
CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(C)c1)S2 Cc1cccc(c1)[*:1] CCCc1nnc2S[C@@H](C(=O)N[*:1])[C@H](Nn12)c1ccc(cc1)CC
CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(C)c1)S2 CCc1ccc(cc1)[*:1] CCCc1nnc2S[C@@H](C(=O)Nc3cccc(C)c3)[C@@H](Nn12)[*:1]
CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(C)c1)S2 CCC[*:1] CCc1ccc(cc1)[C@H]1Nn2c(nnc2[*:1])S[C@H]1C(=O)Nc1cccc(C)c1
CCSc1nnc(N)n1[C@H](C)C(=O)NC1CCCCC1 CCS[*:1] C[C@H](C(=O)NC1CCCCC1)n1c(N)nnc1[*:1]
CCSc1nnc(N)n1[C@H](C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CCSc1nnc(N)n1[C@H](C)C(=O)N[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N[C@@H](C)CO)C1 CC[S@](=O)[*:1] C[C@@H](CO)NC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N[C@@H](C)CO)C1 C[C@@H](CO)[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)N[*:1]
O=C(CCCNC(=O)C1CC1)Nc1cnc(-c2ccccc2)s1 O=C(N[*:1])C1CC1 O=C(CCC[*:1])Nc1cnc(s1)-c1ccccc1
O=C(CCCNC(=O)C1CC1)Nc1cnc(-c2ccccc2)s1 C1CC1[*:1] O=C(CCCNC(=O)[*:1])Nc1cnc(s1)-c1ccccc1
O=C(CCCNC(=O)C1CC1)Nc1cnc(-c2ccccc2)s1 O=C(NC[*:1])C1CC1 O=C(CC[*:1])Nc1cnc(s1)-c1ccccc1
O=C(CCCNC(=O)C1CC1)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(CCCNC(=O)C1CC1)Nc1cnc(s1)[*:1]
Cc1cc(CC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)no1 Fc1ccc(cc1)[*:1] Cc1cc(CC(=O)N[C@H](C2CCC2)[*:1])no1
Cc1cc(CC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)no1 Cc1cc(no1)[*:1] O=C(C[*:1])N[C@H](c1ccc(F)cc1)C1CCC1
Cc1cc(CC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)no1 C1CC(C1)[*:1] Cc1cc(CC(=O)N[C@H](c2ccc(F)cc2)[*:1])no1
Cc1cc(CC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)no1 Cc1cc(C[*:1])no1 O=C(N[C@H](c1ccc(F)cc1)C1CCC1)[*:1]
Cc1ccsc1C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 Cc1ccsc1[*:1] Cn1cc(cn1)C(=O)NCC1CC[NH+](CC1)C[*:1]
Cc1ccsc1C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 Cc1ccsc1C[*:1] Cn1cc(cn1)C(=O)NCC1CC[NH+](CC1)[*:1]
Cc1ccsc1C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] Cc1ccsc1C[NH+]1CCC(CC1)CNC(=O)[*:1]
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 c1ccc(cc1)[*:1] C=C(C)[C@@H]1CC=C(C)/C(C1)=N/NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 C=C(C)[*:1] CC1=CC[C@H](C/C1=N\NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)[*:1]
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 c1ccc(cc1)C[*:1] C=C(C)[C@@H]1CC=C(C)/C(C1)=N/NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(CSc1nnnn1Cc1ccccc1)N1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nnnn1Cc1ccccc1)N1CC=C(CC1)[*:1]
O=C(CSc1nnnn1Cc1ccccc1)N1CC=C(c2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CSc1nnnn1[*:1])N1CC=C(CC1)c1ccccc1
O=C(CSc1nnnn1Cc1ccccc1)N1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nnnn1C[*:1])N1CC=C(CC1)c1ccccc1
O=S(=O)(c1cccs1)N1CCCSCC1 c1csc(c1)[*:1] O=S(=O)(N1CCCSCC1)[*:1]
CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)C[*:1] CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H](C1)[*:1]
CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H](Cc2cnn(C)c2)C1 CCOC(=O)[*:1] Cn1cc(cn1)C[C@H]1CCN(C1)c1c(c[nH+]c2ccccc12)[*:1]
CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)[*:1] CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H](C1)C[*:1]
CC[C@H](C)NC(=O)C[C@@H]1Sc2ncccc2N(C)C1=O CC[C@H](C)[*:1] CN1C(=O)[C@H](CC(=O)N[*:1])Sc2ncccc21
CCN1CCN(C(=O)C2CCC2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O C1CC(C1)[*:1] CCN1CCN(C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O)C(=O)[*:1]
CCN1CCN(C(=O)C2CCC2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O COc1ccccc1[*:1] CCN1CCN(C[C@H](Cc2ccccc2[*:1])C1=O)C(=O)C1CCC1
Cc1nc(CCCN2CCO[C@@H](c3cccs3)C2)cs1 Cc1nc(cs1)[*:1] c1csc(c1)[C@H]1CN(CCC[*:1])CCO1
Cc1nc(CCCN2CCO[C@@H](c3cccs3)C2)cs1 c1csc(c1)[*:1] Cc1nc(cs1)CCCN1CCO[C@@H](C1)[*:1]
CCc1nc(CC)n(C[C@@H](O)COc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCc1nc(CC)n(C[C@@H](O)CO[*:1])n1
O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1ccc[nH]1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(NC[C@@H](Cc1ccccc1)NC(=O)[*:1])c1ccc[nH]1
O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1ccc[nH]1)c1ccc[nH]1 c1ccc(cc1)C[*:1] O=C(NC[C@@H](NC(=O)c1ccc[nH]1)[*:1])c1ccc[nH]1
O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1ccc[nH]1)c1ccc[nH]1 c1ccc(cc1)[*:1] O=C(NC[C@@H](C[*:1])NC(=O)c1ccc[nH]1)c1ccc[nH]1
O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1ccc[nH]1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(N[C@@H](CNC(=O)[*:1])Cc1ccccc1)c1ccc[nH]1
O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1ccc[nH]1)c1ccc[nH]1 O=C(N[*:1])c1ccc[nH]1 O=C(NC[C@@H](Cc1ccccc1)[*:1])c1ccc[nH]1
O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1ccc[nH]1)c1ccc[nH]1 O=C(N[*:1])c1ccc[nH]1 O=C(N[C@H](Cc1ccccc1)C[*:1])c1ccc[nH]1
CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CS(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)C(c1ccccc1)[*:1]
CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 CS(=O)(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCN(CC1)C(c1ccccc1)c1ccccc1
CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 CS(=O)(=O)c1cccc(c1)[*:1] O=S(=O)(N1CCN(CC1)C(c1ccccc1)c1ccccc1)[*:1]
Cc1nc(N(C)CC[C@H](O)c2ccccc2)c2c(C)nn(C)c2n1 O[C@H](c1ccccc1)[*:1] Cc1nc(c2c(C)nn(C)c2n1)N(C)CC[*:1]
Cc1nc(N(C)CC[C@H](O)c2ccccc2)c2c(C)nn(C)c2n1 c1ccc(cc1)[*:1] Cc1nc(c2c(C)nn(C)c2n1)N(C)CC[C@H](O)[*:1]
Cc1ccccc1Nc1ncnc(Nc2nccs2)c1N Cc1ccccc1[*:1] Nc1c(ncnc1N[*:1])Nc1nccs1
Cc1ccccc1Nc1ncnc(Nc2nccs2)c1N c1csc(n1)[*:1] Cc1ccccc1Nc1ncnc(N[*:1])c1N
Cc1ccccc1Nc1ncnc(Nc2nccs2)c1N c1csc(n1)N[*:1] Cc1ccccc1Nc1ncnc(c1N)[*:1]
CC(C)(C)NS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)[O-])c1 CC(C)(C)[*:1] O=C(Nc1ccccc1C(=O)[O-])c1cc(cs1)S(=O)(=O)N[*:1]
CC(C)(C)NS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)[O-])c1 O=C([O-])[*:1] CC(C)(C)NS(=O)(=O)c1csc(c1)C(=O)Nc1ccccc1[*:1]
CC(C)(C)NS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)[O-])c1 CC(C)(C)NS(=O)(=O)[*:1] O=C(Nc1ccccc1C(=O)[O-])c1cc(cs1)[*:1]
COc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)c3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1n[nH]c(n1)SCC(=O)N[C@@H](C)[*:1]
COc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)c3ccc(F)cc3)n2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nc(n[nH]1)[*:1])c1ccc(F)cc1
COc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)c3ccc(F)cc3)n2)cc1 C[C@@H](c1ccc(F)cc1)[*:1] COc1ccc(cc1)-c1n[nH]c(n1)SCC(=O)N[*:1]
COCc1nc(C)cc(N2CC[C@@H](c3cc(OC)cc(OC)c3)C2)n1 COC[*:1] COc1cc(cc(c1)[C@@H]1CCN(C1)c1cc(C)nc(n1)[*:1])OC
O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@H](SC[C@H](O)CO)C1 OC[C@@H](O)C[*:1] O=C([O-])[C@@]1(CCC[C@@H](C1)S[*:1])[NH2+]C1CC1
O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@H](SC[C@H](O)CO)C1 O=C([O-])[*:1] OC[C@@H](O)CS[C@H]1CCC[C@](C1)([NH2+]C1CC1)[*:1]
O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@H](SC[C@H](O)CO)C1 OC[C@@H](O)[*:1] O=C([O-])[C@@]1(CCC[C@@H](C1)SC[*:1])[NH2+]C1CC1
O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@H](SC[C@H](O)CO)C1 OC[C@@H](O)CS[*:1] O=C([O-])[C@@]1(CCC[C@H](C1)[*:1])[NH2+]C1CC1
O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@H](SC[C@H](O)CO)C1 C1CC1[*:1] O=C([O-])[C@@]1(CCC[C@@H](C1)SC[C@H](O)CO)[NH2+][*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)c(Cl)n1 Cc1ccc(c(Cl)n1)[*:1] O=C(NC[C@@H](O)Cc1ccccc1)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)c(Cl)n1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[*:1])c(Cl)n1
Cc1ccc(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)c(Cl)n1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)C(=O)NC[C@@H](O)[*:1])c(Cl)n1
COc1ccc(OCCN(C)C(=O)N[C@@H](C)c2nnc3ccccn23)cc1 c1ccn2c(nnc2c1)[*:1] COc1ccc(cc1)OCCN(C)C(=O)N[C@@H](C)[*:1]
COc1ccc(OCCN(C)C(=O)N[C@@H](C)c2nnc3ccccn23)cc1 COc1ccc(cc1)O[*:1] C[C@H](NC(=O)N(C)CC[*:1])c1nnc2ccccn12
COc1ccc(OCCN(C)C(=O)N[C@@H](C)c2nnc3ccccn23)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)N(C)CCO[*:1])c1nnc2ccccn12
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 O=[N+]([O-])[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12
CC(C)[C@H]1OCCC[C@H]1CNC(=O)CSc1nnnn1C Cn1nnnc1S[*:1] CC(C)[C@H]1OCCC[C@H]1CNC(=O)C[*:1]
CC(C)[C@H]1OCCC[C@H]1CNC(=O)CSc1nnnn1C CC(C)[*:1] Cn1nnnc1SCC(=O)NC[C@@H]1CCCO[C@@H]1[*:1]
CC(C)[C@H]1OCCC[C@H]1CNC(=O)CSc1nnnn1C Cn1nnnc1[*:1] CC(C)[C@H]1OCCC[C@H]1CNC(=O)CS[*:1]
CCOc1ccc(CNC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1F CCO[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCc1ccc(c(F)c1)[*:1]
CCOc1ccc(CNC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1F Cc1n[nH]c(C)c1[*:1] CCOc1ccc(cc1F)CNC(=O)N1CCC[C@H]1[*:1]
Cc1cnc(CNC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)s1 c1ccc(cc1)[*:1] Cc1cnc(CNC(=O)N2C[C@H](C)O[C@H](C2)[*:1])s1
Cc1cnc(CNC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)s1 Cc1cnc(C[*:1])s1 C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)N[*:1]
Cc1cnc(CNC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)s1 Cc1cnc(s1)[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)NC[*:1]
Cc1ccc(-c2n[nH]c(/N=C(\[O-])Cn3nnnc3C(C)C)n2)s1 CC(C)[*:1] Cc1ccc(s1)-c1n[nH]c(/N=C(\[O-])Cn2nnnc2[*:1])n1
Cc1ccc(-c2n[nH]c(/N=C(\[O-])Cn3nnnc3C(C)C)n2)s1 Cc1ccc(s1)[*:1] CC(C)c1nnnn1C/C([O-])=N/c1nc(n[nH]1)[*:1]
COC(=O)C1=C(C)C(C(=O)O[C@H](C)C(=O)N2CCCCCC2)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)O[C@H](C)C(=O)N1CCCCCC1
O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 O=C([O-])C=C[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1COc2ccccc2C1
O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(C=C[*:1])cc1)[C@@H]1COc2ccccc2C1
CCC(=O)N1CC[C@@H]([NH2+]Cc2cscn2)[C@H](C)C1 c1nc(cs1)[*:1] CCC(=O)N1CC[C@@H]([NH2+]C[*:1])[C@H](C)C1
CCC(=O)N1CC[C@@H]([NH2+]Cc2cscn2)[C@H](C)C1 c1nc(cs1)C[*:1] CCC(=O)N1CC[C@@H]([NH2+][*:1])[C@H](C)C1
Cc1c(C(=O)NC(C)(C)C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 CC(C)(C)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(Cl)cc3Cl)c21)C(=O)N[*:1]
Cc1c(C(=O)NC(C)(C)C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 CC(C)(C)NC(=O)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(Cl)cc3Cl)c21)[*:1]
Cc1c(C(=O)NC(C)(C)C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 Clc1ccc(c(Cl)c1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)NC(C)(C)C
CC(C)(C(N)=O)N1CC[NH2+]CC1 NC(=O)[*:1] CC(C)(N1CC[NH2+]CC1)[*:1]
CC(C)CC1=C[C@H]([C@H]2NN[C@H]3SC(c4ccc5c(c4)OCCO5)=NN23)N=N1 CC(C)C[*:1] C1=C(N=N[C@H]1[C@H]1NN[C@H]2SC(=NN12)c1ccc2OCCOc2c1)[*:1]
CC(C)CC1=C[C@H]([C@H]2NN[C@H]3SC(c4ccc5c(c4)OCCO5)=NN23)N=N1 CC(C)[*:1] C1=C(C[*:1])N=N[C@H]1[C@H]1NN[C@H]2SC(=NN12)c1ccc2OCCOc2c1
O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)N[*:1]
O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(NCC[C@H]1CCCCN1S(=O)(=O)[*:1])C(=O)Nc1ccccc1F
Cc1cc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)ncn1 Cc1cc(ncn1)[*:1] FC(F)(F)c1ccc(nc1)O[C@H]1CCN(C1)[*:1]
Cc1cc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)ncn1 FC(F)(F)[*:1] Cc1cc(ncn1)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1Oc1cccnc1 c1cncc(c1)O[*:1] Cc1cc(ccc1[*:1])NC(=O)Cn1nnc(n1)-c1ccccc1
Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1Oc1cccnc1 c1cncc(c1)[*:1] Cc1cc(ccc1O[*:1])NC(=O)Cn1nnc(n1)-c1ccccc1
Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1Oc1cccnc1 c1ccc(cc1)[*:1] Cc1cc(ccc1Oc1cccnc1)NC(=O)Cn1nnc(n1)[*:1]
COC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 COC(=O)N[*:1] Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(cc2)[*:1])c(C)c1
NC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCC2)c(F)c1 c1ccc(cc1)[*:1] NC(=O)c1ccc(NC(=O)C2(CCC2)[*:1])c(F)c1
NC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCC2)c(F)c1 NC(=O)[*:1] O=C(Nc1ccc(cc1F)[*:1])C1(CCC1)c1ccccc1
N#Cc1csc(C(=O)NNC(=O)CCc2ccccc2)c1 N#Cc1csc(c1)[*:1] O=C(CCc1ccccc1)NNC(=O)[*:1]
N#Cc1csc(C(=O)NNC(=O)CCc2ccccc2)c1 c1ccc(cc1)C[*:1] N#Cc1csc(c1)C(=O)NNC(=O)C[*:1]
N#Cc1csc(C(=O)NNC(=O)CCc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1csc(c1)C(=O)NNC(=O)CC[*:1]
CN(C)C(=O)Sc1ccc(COc2cccc(C(=O)N(C)C)c2)cc1 CN(C)C(=O)S[*:1] CN(C)C(=O)c1cccc(c1)OCc1ccc(cc1)[*:1]
CN(C)C(=O)Sc1ccc(COc2cccc(C(=O)N(C)C)c2)cc1 CN(C)C(=O)[*:1] CN(C)C(=O)Sc1ccc(cc1)COc1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)C)CC2)c(C)c1 CC(C)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)N[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)COc2ccccc2C)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)CO[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)COc2ccccc2C)cc1 Cc1ccccc1O[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)C[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)COc2ccccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1OCC(=O)N[C@H](C)[C@H](O)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CSC)N(C)C(=O)N[C@@H](C)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@@H](C)c1ccccc1 CSC[*:1] CC[C@@H](N(C)C(=O)N[C@@H](C)c1ccccc1)[*:1]
CC[C@@H](CNC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1 Fc1cccc(c1)[*:1] CC[C@@H](CNC(=O)CNC(=O)[*:1])c1ccccc1
CC[C@@H](CNC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)CNC(=O)c1cccc(F)c1)[*:1]
O=CO[C@H]1CC[C@@H]2CCCC[C@@H]2C1 O=CO[*:1] C1CC[C@@H]2C[C@H](CC[C@@H]2C1)[*:1]
O=C(CSC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CSC1=NC(=O)C2C(=N1)S[C@H]1CCCCC=21)NCC[*:1]
O=C(CSC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1)NCCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(CSC1=NC(=O)C2C(=N1)S[C@H]1CCCCC=21)NCCC[*:1]
O=C(CSC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1)NCCCN1CCOCC1 C(CN1CCOCC1)C[*:1] O=C(CSC1=NC(=O)C2C(=N1)S[C@H]1CCCCC=21)N[*:1]
O=C(CSC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1)NCCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C(CSC1=NC(=O)C2C(=N1)S[C@H]1CCCCC=21)NC[*:1]
CCCCCC[C@H](C)NC(=O)Nc1ccc(C#N)cc1 CCCC[*:1] C[C@@H](CC[*:1])NC(=O)Nc1ccc(C#N)cc1
CCCCCC[C@H](C)NC(=O)Nc1ccc(C#N)cc1 CCCCCC[*:1] C[C@H](NC(=O)Nc1ccc(C#N)cc1)[*:1]
CCCCCC[C@H](C)NC(=O)Nc1ccc(C#N)cc1 CCC[*:1] C[C@@H](CCC[*:1])NC(=O)Nc1ccc(C#N)cc1
CCCCCC[C@H](C)NC(=O)Nc1ccc(C#N)cc1 CCCCC[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccc(C#N)cc1
Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@H](C1)NC(=O)O[*:1]
Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 Cc1n[nH]cc1[*:1] CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+]C[*:1]
CC(C)(C)[NH2+]Cc1ncoc1-c1cc(Cl)cc(Cl)c1 CC(C)(C)[*:1] Clc1cc(Cl)cc(c1)-c1ocnc1C[NH2+][*:1]
COC(=O)CC1(NC(=O)C[C@@H](O)c2cccc(F)c2)CCCCC1 COC(=O)[*:1] O=C(C[C@@H](O)c1cccc(F)c1)NC1(CCCCC1)C[*:1]
COC(=O)CC1(NC(=O)C[C@@H](O)c2cccc(F)c2)CCCCC1 COC(=O)C[*:1] O=C(C[C@@H](O)c1cccc(F)c1)NC1(CCCCC1)[*:1]
COC(=O)CC1(NC(=O)C[C@@H](O)c2cccc(F)c2)CCCCC1 Fc1cccc(c1)[*:1] COC(=O)CC1(CCCCC1)NC(=O)C[C@@H](O)[*:1]
COc1ccc([C@@H](C)CC[NH2+][C@H](C)c2ccc(F)cn2)cc1 Fc1ccc(nc1)[*:1] COc1ccc(cc1)[C@@H](C)CC[NH2+][C@H](C)[*:1]
CSc1nnnn1-c1cccc(NC(=O)c2cc(Cl)c[nH]2)c1 Clc1c[nH]c(c1)[*:1] CSc1nnnn1-c1cccc(c1)NC(=O)[*:1]
CSc1nnnn1-c1cccc(NC(=O)c2cc(Cl)c[nH]2)c1 CSc1nnnn1[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(Cl)c[nH]1
CCCCCNC(=O)N1CC[NH+](CCC(C)C)CC1 CCCCC[*:1] CC(C)CC[NH+]1CCN(CC1)C(=O)N[*:1]
CCCCCNC(=O)N1CC[NH+](CCC(C)C)CC1 CC(C)[*:1] CCCCCNC(=O)N1CC[NH+](CC1)CC[*:1]
CCCCCNC(=O)N1CC[NH+](CCC(C)C)CC1 CC(C)CC[*:1] CCCCCNC(=O)N1CC[NH+](CC1)[*:1]
CCCCCNC(=O)N1CC[NH+](CCC(C)C)CC1 CC(C)C[*:1] CCCCCNC(=O)N1CC[NH+](CC1)C[*:1]
CCCCCNC(=O)N1CC[NH+](CCC(C)C)CC1 CCC[*:1] CC(C)CC[NH+]1CCN(CC1)C(=O)NCC[*:1]
CCCCCNC(=O)N1CC[NH+](CCC(C)C)CC1 CCCC[*:1] CC(C)CC[NH+]1CCN(CC1)C(=O)NC[*:1]
CC(C)CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C[NH3+])O2)CC1 CC(C)CC[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)N1CC[NH+](CC1)[*:1]
CC(C)CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C[NH3+])O2)CC1 CC(C)[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)N1CC[NH+](CC1)CC[*:1]
CC(C)CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C[NH3+])O2)CC1 CC(C)C[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)N1CC[NH+](CC1)C[*:1]
COCCCN1C(=O)[C@@H]2[C@@H](CCSC)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O COC[*:1] CSCC[C@H]1N[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CC[*:1])C(=O)[C@H]12
COCCCN1C(=O)[C@@H]2[C@@H](CCSC)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O CSC[*:1] COCCCN1C(=O)[C@@H]2[C@@H](C[*:1])N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O
COCCCN1C(=O)[C@@H]2[C@@H](CCSC)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O COCC[*:1] CSCC[C@H]1N[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
COCCCN1C(=O)[C@@H]2[C@@H](CCSC)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O COCCC[*:1] CSCC[C@H]1N[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
COCCCN1C(=O)[C@@H]2[C@@H](CCSC)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O CSCC[*:1] COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@H]2[*:1])C(=O)Nc2ccc(Br)cc21
C[C@@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)CCC(=O)N2 c1cnn(c1)C[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccc2NC(=O)CCc2c1
C[C@@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)CCC(=O)N2 c1cnn(c1)CC[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc2NC(=O)CCc2c1
C[C@@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)CCC(=O)N2 c1cnn(c1)CCC[*:1] C[C@@H](NC(=O)N[*:1])c1ccc2NC(=O)CCc2c1
C[C@@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)CCC(=O)N2 c1cnn(c1)[*:1] C[C@@H](NC(=O)NCCC[*:1])c1ccc2NC(=O)CCc2c1
O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1cc(F)ccc1O Oc1ccc(F)cc1[*:1] O=C(Nc1ccc(cc1)Cc1nnc2ccccn12)[*:1]
O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)c1cc(F)ccc1O c1ccn2c(nnc2c1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cc(F)ccc1O
CCCn1cc(NC(=O)Cc2ccc3c(c2)CCCC3)cn1 CCC[*:1] O=C(Cc1ccc2CCCCc2c1)Nc1cnn(c1)[*:1]
CC(C)OCCS(=O)(=O)Nc1cccc2c1N[C@H](C)CC2 CC(C)OC[*:1] C[C@@H]1CCc2cccc(NS(=O)(=O)C[*:1])c2N1
CC(C)OCCS(=O)(=O)Nc1cccc2c1N[C@H](C)CC2 CC(C)OCC[*:1] C[C@@H]1CCc2cccc(NS(=O)(=O)[*:1])c2N1
CC(C)OCCS(=O)(=O)Nc1cccc2c1N[C@H](C)CC2 CC(C)O[*:1] C[C@@H]1CCc2cccc(NS(=O)(=O)CC[*:1])c2N1
CC(C)OCCS(=O)(=O)Nc1cccc2c1N[C@H](C)CC2 CC(C)[*:1] C[C@@H]1CCc2cccc(NS(=O)(=O)CCO[*:1])c2N1
Cc1csc(NC(=O)c2csc3c2CC[C@@H](C)C3)n1 Cc1csc(n1)[*:1] C[C@@H]1CCc2c(csc2C1)C(=O)N[*:1]
COc1cccc([C@@H](C)CC(=O)N[C@H](c2ccccc2)c2ccco2)c1 c1coc(c1)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)N[C@H](c1ccccc1)[*:1]
COc1cccc([C@@H](C)CC(=O)N[C@H](c2ccccc2)c2ccco2)c1 COc1cccc(c1)[*:1] C[C@@H](CC(=O)N[C@H](c1ccccc1)c1ccco1)[*:1]
COc1cccc([C@@H](C)CC(=O)N[C@H](c2ccccc2)c2ccco2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)N[C@H](c1ccco1)[*:1]
CC[NH2+]C[C@H](Cc1cccc(F)c1F)c1cccc(C)c1 Cc1cccc(c1)[*:1] CC[NH2+]C[C@H](Cc1cccc(F)c1F)[*:1]
Brc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)s1 Brc1ccc(C[*:1])s1 c1cc2OCCOc2cc1Nc1ncc2CN(CCc2n1)[*:1]
Brc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)s1 Brc1ccc(s1)[*:1] c1cc2OCCOc2cc1Nc1ncc2CN(CCc2n1)C[*:1]
CC(C)c1nc(CC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cs1 O=[N+]([O-])[*:1] CC(C)c1nc(cs1)CC(=O)Nc1cc(c(F)cc1F)[*:1]
CC(C)c1nc(CC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cs1 CC(C)[*:1] O=C(Cc1csc(n1)[*:1])Nc1cc(c(F)cc1F)[N+](=O)[O-]
Cc1ccc(C(=O)C2CCN(C(=O)NCCc3ncnn3C)CC2)cc1 Cn1ncnc1CC[*:1] Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)N[*:1]
Cc1ccc(C(=O)C2CCN(C(=O)NCCc3ncnn3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cn1ncnc1CCNC(=O)N1CCC(CC1)C(=O)[*:1]
Cc1ccc(C(=O)C2CCN(C(=O)NCCc3ncnn3C)CC2)cc1 Cn1ncnc1C[*:1] Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)NC[*:1]
Cc1ccc(C(=O)C2CCN(C(=O)NCCc3ncnn3C)CC2)cc1 Cn1ncnc1[*:1] Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)NCC[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1cccc(NC(=O)N(C)C)c1 CN(C)C(=O)N[*:1] C[C@H](Cc1cccs1)N(C)C(=O)c1cccc(c1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1cccc(NC(=O)N(C)C)c1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1cccc(c1)NC(=O)N(C)C
C[C@H](Cc1cccs1)N(C)C(=O)c1cccc(NC(=O)N(C)C)c1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)c1cccc(c1)NC(=O)N(C)C)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1nnc(s1)-c1ccco1)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccccc1)[*:1])Nc1nnc(s1)-c1ccco1
CC(=O)N[C@@H](CC(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1 c1coc(c1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1nnc(s1)[*:1])c1ccccc1
Cc1cc(S(=O)(=O)NCC2CCN(C(=O)Cc3cccs3)CC2)ccc1F c1csc(c1)[*:1] Cc1cc(ccc1F)S(=O)(=O)NCC1CCN(CC1)C(=O)C[*:1]
Cc1cc(S(=O)(=O)NCC2CCN(C(=O)Cc3cccs3)CC2)ccc1F Cc1cc(ccc1F)[*:1] O=C(Cc1cccs1)N1CCC(CC1)CNS(=O)(=O)[*:1]
Cc1cc(S(=O)(=O)NCC2CCN(C(=O)Cc3cccs3)CC2)ccc1F c1csc(c1)C[*:1] Cc1cc(ccc1F)S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc(Br)ccc1Cl Clc1ccc(Br)cc1[*:1] O=C(Nc1ccc2nn(nc2c1)-c1ccccc1)[*:1]
O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc(Br)ccc1Cl c1ccc(cc1)[*:1] O=C(Nc1ccc2nn(nc2c1)[*:1])c1cc(Br)ccc1Cl
C[C@@H](CO)CSCc1cnc(NN)s1 C[C@@H](CO)[*:1] NNc1ncc(CSC[*:1])s1
CC/[NH+]=C(/NCCc1ccccc1)N[C@@H]1C[C@@H]1C c1ccc(cc1)[*:1] CC/[NH+]=C(/NCC[*:1])N[C@@H]1C[C@@H]1C
C#CCOCCC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 C#CC[*:1] O=C(CCO[*:1])NC1CC[NH+](CC1)CC1(O)CCCCC1
C#CCOCCC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 C#CCOC[*:1] O=C(C[*:1])NC1CC[NH+](CC1)CC1(O)CCCCC1
C#CCOCCC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 C#CCO[*:1] O=C(CC[*:1])NC1CC[NH+](CC1)CC1(O)CCCCC1
C#CCOCCC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 OC1(CCCCC1)[*:1] C#CCOCCC(=O)NC1CC[NH+](CC1)C[*:1]
C#CCOCCC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 C#CCOCC[*:1] O=C(NC1CC[NH+](CC1)CC1(O)CCCCC1)[*:1]
CC1=C(C(=O)N(C)C)[C@@H](c2cc(F)ccc2F)NC(=S)N1 CN(C)C(=O)[*:1] CC1NC(=S)N[C@@H](C=1[*:1])c1cc(F)ccc1F
O=C([O-])CN1C(=O)c2ccccc2[C@@H]1O O=C([O-])[*:1] O=C1c2ccccc2[C@H](O)N1C[*:1]
O=C([O-])CN1C(=O)c2ccccc2[C@@H]1O O=C([O-])C[*:1] O=C1c2ccccc2[C@H](O)N1[*:1]
N#Cc1ccc(OCCNC(=O)c2cccc(-c3ccoc3)c2)cc1 c1cc(co1)[*:1] N#Cc1ccc(cc1)OCCNC(=O)c1cccc(c1)[*:1]
N#Cc1ccc(OCCNC(=O)c2cccc(-c3ccoc3)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])c1cccc(c1)-c1ccoc1
CC1(C)CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)C1 c1ccc(cc1)[*:1] CC1(C)CCN(C1)C(=O)[C@H]1C[C@@H]1[*:1]
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1 CN1CCC/C1=N\S(=O)(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(s1)-c1nc2ccccc2s1
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1 c1ccc2sc(nc2c1)[*:1] CN1CCC/C1=N\S(=O)(=O)c1cccc(c1)NC(=O)c1ccc(s1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)CNC(=O)OCC(F)(F)F)C1 FC(F)(F)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)CNC(=O)O[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)CNC(=O)OCC(F)(F)F)C1 FC(F)(F)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)CNC(=O)OC[*:1]
C[C@@H]([NH2+]Cc1ccc(F)cc1)C1(C)CC1 CC1(CC1)[*:1] C[C@@H]([NH2+]Cc1ccc(F)cc1)[*:1]
Cc1ccc(N(C)[C@@](C)(C[NH3+])C2(C)CC2)c(C)c1 CC1(CC1)[*:1] Cc1ccc(c(C)c1)N(C)[C@@](C)(C[NH3+])[*:1]
CC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N(C)C2CCCCC2)c1 C1CCC(CC1)[*:1] CC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(c1)C(=O)N(C)[*:1]
CC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N(C)C2CCCCC2)c1 CC(C)[*:1] CN(C(=O)c1cn(cc(C(=O)NC(C)(C)C)c1=O)[*:1])C1CCCCC1
CC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N(C)C2CCCCC2)c1 CC(C)(C)NC(=O)[*:1] CC(C)n1cc(C(=O)N(C)C2CCCCC2)c(=O)c(c1)[*:1]
CC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N(C)C2CCCCC2)c1 CC(C)(C)[*:1] CC(C)n1cc(C(=O)N[*:1])c(=O)c(c1)C(=O)N(C)C1CCCCC1
CCNS(=O)(=O)[C@H]1CCN(Cc2cc(=O)oc3c(C)c(C)ccc23)C1 CCNS(=O)(=O)[*:1] Cc1ccc2c(cc(=O)oc2c1C)CN1CC[C@@H](C1)[*:1]
COc1cccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)c1 FC(F)(F)[*:1] COc1cccc(c1)-c1nc2cc(ccc2o1)NC(=O)[*:1]
COc1cccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)c1 O=C(N[*:1])C(F)(F)F COc1cccc(c1)-c1nc2cc(ccc2o1)[*:1]
COc1cccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])C(F)(F)F
CC(C)NC(=O)c1ccc(N)c(Br)c1 CC(C)[*:1] Nc1ccc(cc1Br)C(=O)N[*:1]
C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[*:1]
C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[*:1]
Cc1csc(=O)n1CCC(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 Cc1csc(=O)n1C[*:1] C[C@H]1CN(C[C@@H](C)O1)C(C)(C)CNC(=O)C[*:1]
Cc1csc(=O)n1CCC(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 Cc1csc(=O)n1[*:1] C[C@H]1CN(C[C@@H](C)O1)C(C)(C)CNC(=O)CC[*:1]
COc1ccc(S(=O)(=O)N2CCC(Cn3cc[nH+]c3C)CC2)cc1C(C)(C)C CC(C)(C)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1CCC(CC1)Cn1cc[nH+]c1C
COc1ccc(C2=C3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 COc1ccc(cc1)[*:1] O=C1C2=C(NN(c3ccccc3)[C@@H]2C(=O)N1c1cccc(F)c1)[*:1]
COc1ccc(C2=C3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)C1NN(c2ccccc2)[C@@H]2C(=O)N(C(=O)C=12)[*:1]
COc1ccc(C2=C3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1NN([C@@H]2C(=O)N(C(=O)C=12)c1cccc(F)c1)[*:1]
COc1ccc2sc(N(Cc3ccccn3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc2c1 c1ccc(nc1)[*:1] COc1ccc2sc(nc2c1)N(C[*:1])C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
COc1ccc2sc(N(Cc3ccccn3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc2c1 c1ccc(C[*:1])nc1 COc1ccc2sc(nc2c1)N(C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ccc2sc(N(Cc3ccccn3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc2c1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc2sc(nc2c1)N(Cc1ccccn1)C(=O)C=C[*:1]
COc1ccc2sc(N(Cc3ccccn3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc2c1 O=[N+]([O-])[*:1] COc1ccc2sc(nc2c1)N(Cc1ccccn1)C(=O)/C=C/c1ccc(cc1)[*:1]
CC(C)CCO[C@H]1CCN(CN2C(=O)C(C)(C)C2(C)C)C1 CC(C)CCO[*:1] CC1(C)C(=O)N(CN2CC[C@@H](C2)[*:1])C1(C)C
CC(C)CCO[C@H]1CCN(CN2C(=O)C(C)(C)C2(C)C)C1 CC(C)CC[*:1] CC1(C)C(=O)N(CN2CC[C@@H](C2)O[*:1])C1(C)C
CC(C)CCO[C@H]1CCN(CN2C(=O)C(C)(C)C2(C)C)C1 CC(C)C[*:1] CC1(C)C(=O)N(CN2CC[C@@H](C2)OC[*:1])C1(C)C
CC(C)CCO[C@H]1CCN(CN2C(=O)C(C)(C)C2(C)C)C1 CC(C)[*:1] CC1(C)C(=O)N(CN2CC[C@@H](C2)OCC[*:1])C1(C)C
C[C@@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccc(S(C)(=O)=O)cc1 O[C@H]1CCCC[C@@H]1[*:1] C[C@@H]([NH2+]CCC[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@]1(O)CCc2ccccc21 Fc1ccc(cc1)[*:1] C[C@@H](CC(=O)N[*:1])[NH2+]C[C@@]1(O)CCc2ccccc21
CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCN(C)C[C@@H]1C CCC[*:1] C[C@H]1CN(C)CC[C@H]1[NH2+][C@@H]1C[C@H]1[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)CNc2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)CN[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)CNc2ccc(C)c(C)c2)c1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1C)NCC(=O)Nc1cccc(c1)[*:1]
C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3[nH]2)c1C C=CC[*:1] Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1[*:1]
CC[C@](C)([C@H](O)Cc1nc(C)cs1)[NH+]1CCCC1 Cc1csc(n1)[*:1] CC[C@](C)([C@H](O)C[*:1])[NH+]1CCCC1
O=C(Nc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3nncs3)C2)s1)c1ccco1 c1nnc(s1)[*:1] O=C(Nc1ccc(s1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1])c1ccco1
O=C(Nc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3nncs3)C2)s1)c1ccco1 O=C(Nc1nncs1)[*:1] O=C(Nc1ccc(s1)C(=O)N1CCC[C@@H](C1)[*:1])c1ccco1
O=C(Nc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3nncs3)C2)s1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1nncs1)[C@@H]1CCCN(C1)C(=O)c1ccc(NC(=O)[*:1])s1
O=C(Nc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3nncs3)C2)s1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(Nc1nncs1)[C@@H]1CCCN(C1)C(=O)c1ccc(s1)[*:1]
O=C(Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)[C@H]1Cc2ccccc2O1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCN(CC1)[*:1])[C@H]1Cc2ccccc2O1
C/[NH+]=C(/NCC[S@](=O)C(C)(C)C)N1CCN(c2ccccc2F)CC1 CC(C)(C)[*:1] C/[NH+]=C(/NCC[S@](=O)[*:1])N1CCN(CC1)c1ccccc1F
C/[NH+]=C(/NCC[S@](=O)C(C)(C)C)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] C/[NH+]=C(/NCC[S@](=O)C(C)(C)C)N1CCN(CC1)[*:1]
Cc1cc(C(=O)NC2CC(C)C2)c2cnn(C(C)C)c2n1 CC1CC(C1)[*:1] Cc1cc(C(=O)N[*:1])c2cnn(c2n1)C(C)C
Cc1cc(C(=O)NC2CC(C)C2)c2cnn(C(C)C)c2n1 CC(C)[*:1] Cc1cc(C(=O)NC2CC(C)C2)c2cnn(c2n1)[*:1]
C=CCN(CC1CCCCC1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O C=CC[*:1] O=C(Nc1cc(c[nH]c1=O)C(F)(F)F)N(CC1CCCCC1)[*:1]
C=CCN(CC1CCCCC1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O FC(F)(F)[*:1] C=CCN(CC1CCCCC1)C(=O)Nc1cc(c[nH]c1=O)[*:1]
C=CCN(CC1CCCCC1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O C1CCC(CC1)C[*:1] C=CCN(C(=O)Nc1cc(c[nH]c1=O)C(F)(F)F)[*:1]
C=CCN(CC1CCCCC1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O C1CCC(CC1)[*:1] C=CCN(C[*:1])C(=O)Nc1cc(c[nH]c1=O)C(F)(F)F
Cc1cccc2c(CC(=O)Nc3ccc(CN4CCCC4=O)cc3)c[nH]c12 O=C1CCCN1C[*:1] Cc1cccc2c(c[nH]c12)CC(=O)Nc1ccc(cc1)[*:1]
Cc1cccc2c(CC(=O)Nc3ccc(CN4CCCC4=O)cc3)c[nH]c12 O=C1CCCN1[*:1] Cc1cccc2c(c[nH]c12)CC(=O)Nc1ccc(cc1)C[*:1]
O=S(=O)(c1ccc(C2CC([O-])C2)cc1)C(F)F FC(F)[*:1] O=S(=O)(c1ccc(cc1)C1CC([O-])C1)[*:1]
O=S(=O)(c1ccc(C2CC([O-])C2)cc1)C(F)F [O-]C1CC(C1)[*:1] O=S(=O)(c1ccc(cc1)[*:1])C(F)F
CSC[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CSC[C@@H](C)NC(=O)N1CCC(CC1)[C@H](O)[*:1]
CSC[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 CSC[*:1] C[C@@H](NC(=O)N1CCC(CC1)[C@H](O)c1ccc(F)cc1)[*:1]
CSC[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 CSC[C@@H](C)[*:1] O=C(N[*:1])N1CCC(CC1)[C@H](O)c1ccc(F)cc1
Cc1nnc2n1CCC[C@@H]2NC(=O)COC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)C[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)COC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)COC[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)COC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)CO[*:1]
Cc1ccc([N+](=O)[O-])c(OCC[NH2+]C[C@H]2CCCO2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)OCC[NH2+]C[C@H]1CCCO1)[*:1]
COCCCn1c(CCCl)nc2c(C)nn(C)c21 COCCC[*:1] Cc1nn(C)c2c1nc(CCCl)n2[*:1]
COCCCn1c(CCCl)nc2c(C)nn(C)c21 ClCC[*:1] COCCCn1c(nc2c(C)nn(C)c21)[*:1]
COCCCn1c(CCCl)nc2c(C)nn(C)c21 COC[*:1] Cc1nn(C)c2c1nc(CCCl)n2CC[*:1]
COCCCn1c(CCCl)nc2c(C)nn(C)c21 COCC[*:1] Cc1nn(C)c2c1nc(CCCl)n2C[*:1]
Cc1ccc(-c2cc(-c3cccc(Br)c3)nc(N)n2)cc1 Cc1ccc(cc1)[*:1] Nc1nc(cc(n1)[*:1])-c1cccc(Br)c1
Cc1ccc(-c2cc(-c3cccc(Br)c3)nc(N)n2)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)-c1cc(nc(N)n1)[*:1]
COCCCNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 COC[*:1] O=C(NCC[*:1])c1ccc(cc1)-c1nc(no1)C1CC1
COCCCNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 COCC[*:1] O=C(NC[*:1])c1ccc(cc1)-c1nc(no1)C1CC1
COCCCNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 C1CC1[*:1] COCCCNC(=O)c1ccc(cc1)-c1nc(no1)[*:1]
COCCCNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 COCCC[*:1] O=C(N[*:1])c1ccc(cc1)-c1nc(no1)C1CC1
CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2C=CCCC2)C1 CCNS(=O)(=O)[*:1] O=C(N[C@H]1C=CCCC1)N1CC[C@@H](C1)[*:1]
O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 Fc1cccc(c1)N[*:1] O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc(cc(n1)[*:1])-c1ccncc1
O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 Fc1cccc(c1)[*:1] O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc(cc(n1)-c1ccncc1)N[*:1]
O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 c1cc(ccn1)[*:1] O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc(cc(n1)[*:1])Nc1cccc(F)c1
CC(C)[C@@H](CNC(=O)NC1CCCC1)[NH+]1CCCC1 CC(C)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])NC1CCCC1
CC(C)[C@@H](CNC(=O)NC1CCCC1)[NH+]1CCCC1 C1CCC(C1)[*:1] CC(C)[C@@H](CNC(=O)N[*:1])[NH+]1CCCC1
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccccn1 c1ccc(nc1)[*:1] O=C(NCc1ccc(s1)S(=O)(=O)N1CCCC1)[*:1]
O=C(Cc1c[nH]c2ccccc12)OCCOc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1c[nH]c2ccccc12)OCCO[*:1]
O=C(Cc1c[nH]c2ccccc12)OCCOc1ccccc1 c1ccc(cc1)O[*:1] O=C(Cc1c[nH]c2ccccc12)OCC[*:1]
CSCc1nc2ccccc2n1CC(=O)N[C@@H](C)C(N)=O C[C@@H](C(N)=O)[*:1] CSCc1nc2ccccc2n1CC(=O)N[*:1]
CSCc1nc2ccccc2n1CC(=O)N[C@@H](C)C(N)=O CSC[*:1] C[C@H](NC(=O)Cn1c(nc2ccccc21)[*:1])C(N)=O
CSCc1nc2ccccc2n1CC(=O)N[C@@H](C)C(N)=O NC(=O)[*:1] CSCc1nc2ccccc2n1CC(=O)N[C@@H](C)[*:1]
Cc1cccc(CN2C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1Cl)N1C(=O)N(C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
Cc1cccc(CN2C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1Cl)N1C(=O)N([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
Cc1cccc(CN2C(=O)N(c3ccc(C)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 Cc1ccc(cc1Cl)[*:1] Cc1cccc(c1)CN1C(=O)N([C@H]2CS(=O)(=O)C[C@H]21)[*:1]
COc1cc(NCc2cc(OC)c([O-])c([N+](=O)[O-])c2)cc(OC)c1 O=[N+]([O-])[*:1] COc1cc(cc(c1)OC)NCc1cc(OC)c([O-])c(c1)[*:1]
O=C(NCC[NH+]1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCC[NH+]1CCOCC1)c1ccc(Cl)c(c1)[*:1]
CC[C@H]([NH3+])[C@@]([O-])(c1sccc1C)C(F)(F)F FC(F)(F)[*:1] CC[C@H]([NH3+])[C@@]([O-])(c1sccc1C)[*:1]
CC[C@H](C)[C@@H](C)NC1=[NH+]CCCC1 CC[C@H](C)[*:1] C[C@@H](NC1CCCC[NH+]=1)[*:1]
COc1cccc(/C(C)=C/C(=O)N[C@H](C)c2cccc(-n3cncn3)c2)c1 c1ncn(n1)[*:1] COc1cccc(c1)/C(C)=C/C(=O)N[C@H](C)c1cccc(c1)[*:1]
COc1cccc(/C(C)=C/C(=O)N[C@H](C)c2cccc(-n3cncn3)c2)c1 COc1cccc(c1)[*:1] CC(=CC(=O)N[C@H](C)c1cccc(c1)-n1cncn1)[*:1]
C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(o1)[*:1]
CSc1ccc(CNC(=O)[C@@H](C)CC(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] CSc1ccc(cc1)CNC(=O)[C@@H](C)CC(=O)[*:1]
CSc1ccc(CNC(=O)[C@@H](C)CC(=O)c2ccccc2F)cc1 CSc1ccc(cc1)[*:1] C[C@@H](CC(=O)c1ccccc1F)C(=O)NC[*:1]
CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccccc1F)C3 Fc1ccccc1[*:1] CCCc1cc(=O)oc2c3CN(COc3ccc12)[*:1]
CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccccc1F)C3 CCC[*:1] O=c1cc(c2ccc3OCN(Cc3c2o1)c1ccccc1F)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)[C@H]2COc3ccccc3C2)C1 CS(=O)(=O)[*:1] O=C(N[C@H]1CCC[C@@H](C1)[*:1])[C@H]1COc2ccccc2C1
CN1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1OC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CN1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1O[*:1]
CN1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CN1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1OC[*:1]
CN1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1OC[C@H]1CCCO1 C1CO[C@H](C1)CO[*:1] CN1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1[*:1]
Cc1cc(NCCNC(=O)c2nc(C)ncc2Cl)n2ncnc2n1 Cc1ncc(Cl)c(n1)[*:1] Cc1cc(NCCNC(=O)[*:1])n2ncnc2n1
CS[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)C1 c1cncc(c1)[*:1] CS[C@H]1CC[C@H](C1)Nc1cc(nc(n1)[*:1])C(F)(F)F
CS[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)C1 FC(F)(F)[*:1] CS[C@H]1CC[C@H](C1)Nc1cc(nc(n1)-c1cccnc1)[*:1]
CC(=O)c1ccc(OCC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1sc(c(C)c1C(=O)N1CCOCC1)[*:1]
CC(=O)c1ccc(OCC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)cc1 CC(=O)[*:1] Cc1c(sc(NC(=O)COc2ccc(cc2)[*:1])c1C(=O)N1CCOCC1)-c1ccccc1
CC(=O)c1ccc(OCC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)cc1 CC(=O)c1ccc(cc1)O[*:1] Cc1c(sc(NC(=O)C[*:1])c1C(=O)N1CCOCC1)-c1ccccc1
CC(=O)c1ccc(OCC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1sc(-c2ccccc2)c(C)c1[*:1]
CC(=O)c1ccc(OCC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1c(sc(NC(=O)CO[*:1])c1C(=O)N1CCOCC1)-c1ccccc1
CC(=O)c1ccc(OCC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)cc1 CC(=O)c1ccc(cc1)OC[*:1] Cc1c(sc(NC(=O)[*:1])c1C(=O)N1CCOCC1)-c1ccccc1
C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)NN[*:1])C1=O)c1ccc(F)cc1
C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNc2ccccc2)C1=O Fc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)NNc2ccccc2)C1=O)[*:1]
C[C@H]1OCC[C@H]1c1nnnn1CCC(=O)[O-] O=C([O-])[*:1] C[C@H]1OCC[C@H]1c1nnnn1CC[*:1]
C[C@H]1OCC[C@H]1c1nnnn1CCC(=O)[O-] O=C([O-])C[*:1] C[C@H]1OCC[C@H]1c1nnnn1C[*:1]
C[C@H]1OCC[C@H]1c1nnnn1CCC(=O)[O-] O=C([O-])CC[*:1] C[C@H]1OCC[C@H]1c1nnnn1[*:1]
CC(C)(C)CCC(=O)Nc1ccn(-c2ncccc2Cl)n1 CC(C)(C)CC[*:1] O=C(Nc1ccn(n1)-c1ncccc1Cl)[*:1]
CC(C)(C)CCC(=O)Nc1ccn(-c2ncccc2Cl)n1 CC(C)(C)C[*:1] O=C(C[*:1])Nc1ccn(n1)-c1ncccc1Cl
CC(C)(C)CCC(=O)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] CC(C)(C)CCC(=O)Nc1ccn(n1)[*:1]
CC(C)(C)CCC(=O)Nc1ccn(-c2ncccc2Cl)n1 CC(C)(C)[*:1] O=C(CC[*:1])Nc1ccn(n1)-c1ncccc1Cl
O=C1NC2(CCN(C(=O)c3ccccc3F)CC2)N=C1c1ccc(Cl)cc1 Fc1ccccc1[*:1] O=C1NC2(CCN(CC2)C(=O)[*:1])N=C1c1ccc(Cl)cc1
O=C1NC2(CCN(C(=O)c3ccccc3F)CC2)N=C1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1NC2(CCN(CC2)C(=O)c2ccccc2F)N=C1[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)COc1ccc(I)cc1 Ic1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)CO[*:1])-c1nnco1
Cc1ccc(-c2nnco2)cc1NC(=O)COc1ccc(I)cc1 c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)COc1ccc(I)cc1)[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)COc1ccc(I)cc1 Ic1ccc(cc1)O[*:1] Cc1ccc(cc1NC(=O)C[*:1])-c1nnco1
NC(=O)c1cccc(CNS(=O)(=O)c2ccccc2C(F)(F)F)c1 NC(=O)[*:1] O=S(=O)(NCc1cccc(c1)[*:1])c1ccccc1C(F)(F)F
NC(=O)c1cccc(CNS(=O)(=O)c2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] NC(=O)c1cccc(c1)CNS(=O)(=O)c1ccccc1[*:1]
CCOc1cccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C[C@H]2CCCO2)c1 CCO[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[C@H]3CCCO3)[C@H](c3cccc(c3)[*:1])c12
CCOc1cccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C[C@H]2CCCO2)c1 CCOc1cccc(c1)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[C@H]3CCCO3)[C@@H](c12)[*:1]
CCOc1cccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] CCOc1cccc(c1)[C@@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccc(C)cc1
CCOc1cccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CCOc1cccc(c1)[C@@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1ccc(C)cc1
CCOc1cccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C[C@H]2CCCO2)c1 Cc1ccc(cc1)[*:1] CCOc1cccc(c1)[C@@H]1c2c(n[nH]c2C(=O)N1C[C@H]1CCCO1)[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)CCOC2CCOCC2)o1 Cc1ccc(o1)[*:1] O=C(CCOC1CCOCC1)N1CCSC[C@H]1[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)CCOC2CCOCC2)o1 C1CC(CCO1)O[*:1] Cc1ccc(o1)[C@@H]1CSCCN1C(=O)CC[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)CCOC2CCOCC2)o1 C1CC(CCO1)[*:1] Cc1ccc(o1)[C@@H]1CSCCN1C(=O)CCO[*:1]
CCc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 O=C([O-])[*:1] CCc1ccc(cc1)C(=O)NCc1ccc(cc1)[*:1]
C=CCc1ccccc1OC[C@H](O)Cn1cnc2ccccc21 C=CC[*:1] O[C@@H](COc1ccccc1[*:1])Cn1cnc2ccccc21
Fc1ccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 c1cc(ccn1)[*:1] Fc1ccc(cc1)Cc1cccc(n1)[C@@H]1CCCN(C1)C[*:1]
Fc1ccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 Fc1ccc(cc1)[*:1] c1cc(C[*:1])nc(c1)[C@@H]1CCCN(Cc2ccncc2)C1
Fc1ccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 Fc1ccc(cc1)C[*:1] c1cc(nc(c1)[*:1])[C@@H]1CCCN(Cc2ccncc2)C1
Fc1ccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 c1cc(ccn1)C[*:1] Fc1ccc(cc1)Cc1cccc(n1)[C@@H]1CCCN(C1)[*:1]
CSc1ccc(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)cc1 CC(C)(C)[*:1] CSc1ccc(cc1)CNC(=O)C(=O)Nc1ccc(cc1)O[*:1]
CSc1ccc(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)cc1 CSc1ccc(cc1)[*:1] CC(C)(C)Oc1ccc(cc1)NC(=O)C(=O)NC[*:1]
CSc1ccc(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)cc1 CC(C)(C)O[*:1] CSc1ccc(cc1)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCOCCN1CC[NH+](CC=C(C)C)CC1 CC(C)=C[*:1] CCOCCN1CC[NH+](CC1)C[*:1]
CCOCCN1CC[NH+](CC=C(C)C)CC1 CC(C)=CC[*:1] CCOCCN1CC[NH+](CC1)[*:1]
CCOCCN1CC[NH+](CC=C(C)C)CC1 CCO[*:1] CC(C)=CC[NH+]1CCN(CC1)CC[*:1]
CCOCCN1CC[NH+](CC=C(C)C)CC1 CCOC[*:1] CC(C)=CC[NH+]1CCN(CC1)C[*:1]
CCOCCN1CC[NH+](CC=C(C)C)CC1 CCOCC[*:1] CC(C)=CC[NH+]1CCN(CC1)[*:1]
Cc1ccc(CNC(=O)c2ccc(C[S@](=O)c3ccccc3Cl)o2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(C[S@](=O)c2ccccc2Cl)o1
Cc1ccc(CNC(=O)c2ccc(C[S@](=O)c3ccccc3Cl)o2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)CNC(=O)c1ccc(C[S@](=O)[*:1])o1
Cc1ccc(CNC(=O)c2ccc(C[S@](=O)c3ccccc3Cl)o2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(C[S@](=O)c2ccccc2Cl)o1
Cc1csc(Sc2ccc(C(=O)Nc3cccc(C#N)c3)cc2[N+](=O)[O-])n1 Cc1csc(n1)S[*:1] N#Cc1cccc(c1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1csc(Sc2ccc(C(=O)Nc3cccc(C#N)c3)cc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1csc(n1)Sc1ccc(cc1[*:1])C(=O)Nc1cccc(C#N)c1
Cc1csc(Sc2ccc(C(=O)Nc3cccc(C#N)c3)cc2[N+](=O)[O-])n1 N#Cc1cccc(c1)[*:1] Cc1csc(n1)Sc1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
Cc1csc(Sc2ccc(C(=O)Nc3cccc(C#N)c3)cc2[N+](=O)[O-])n1 Cc1csc(n1)[*:1] N#Cc1cccc(c1)NC(=O)c1ccc(S[*:1])c(c1)[N+](=O)[O-]
Cc1nc2c(C)cccc2c2c1C[C@H]([C@](C)(Cl)Br)O2 C[C@](Cl)(Br)[*:1] Cc1nc2c(C)cccc2c2O[C@@H](Cc12)[*:1]
COc1ccc2c(c1)CCc1c(C(=O)Nc3cccc(CCc4nc5ccccc5n4C)c3)n[nH]c1-2 Cn1c(nc2ccccc21)[*:1] COc1ccc2c(c1)CCc1c(n[nH]c1-2)C(=O)Nc1cccc(c1)CC[*:1]
COc1ccc2c(c1)CCc1c(C(=O)Nc3cccc(CCc4nc5ccccc5n4C)c3)n[nH]c1-2 Cn1c(C[*:1])nc2ccccc21 COc1ccc2c(c1)CCc1c(n[nH]c1-2)C(=O)Nc1cccc(c1)C[*:1]
COc1ccc2c(c1)CCc1c(C(=O)Nc3cccc(CCc4nc5ccccc5n4C)c3)n[nH]c1-2 Cn1c(CC[*:1])nc2ccccc21 COc1ccc2c(c1)CCc1c(n[nH]c1-2)C(=O)Nc1cccc(c1)[*:1]
CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@]23C(=O)N(CC)c2ccccc23)cc1 CCOc1ccc(cc1)[*:1] CCN1C(=O)[C@]2(C(C(=O)[*:1])=C(O)C(=O)N2C[C@H]2CCCO2)c2ccccc21
CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@]23C(=O)N(CC)c2ccccc23)cc1 CCO[*:1] CCN1C(=O)[C@]2(C(C(=O)c3ccc(cc3)[*:1])=C(O)C(=O)N2C[C@H]2CCCO2)c2ccccc21
CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@]23C(=O)N(CC)c2ccccc23)cc1 CCOc1ccc(cc1)C(=O)[*:1] CCN1C(=O)[C@]2(C(=C(O)C(=O)N2C[C@H]2CCCO2)[*:1])c2ccccc21
O=S(=O)(Cc1coc(-c2ccccc2)n1)c1ncc[n-]1 c1ccc(cc1)[*:1] O=S(=O)(Cc1coc(n1)[*:1])c1ncc[n-]1
CC(C)N(Cc1cccnc1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 CC(C)[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N(Cc1cccnc1)[*:1]
CC(C)N(Cc1cccnc1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 c1cncc(c1)C[*:1] CC(C)N(S(=O)(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CC(C)N(Cc1cccnc1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 c1cncc(c1)[*:1] CC(C)N(C[*:1])S(=O)(=O)c1c[nH]c2nccc(Cl)c12
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N/N=C/c1ccccn1)OC2=O c1ccc(nc1)[*:1] CC1(C)[C@]2(C)CC[C@]1(OC2=O)C(=O)NN=C[*:1]
CCOCCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCOCCNC(=O)N1CCN(CC1)C(=O)[*:1]
CCOCCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 CCO[*:1] O=C(NCC[*:1])N1CCN(CC1)C(=O)c1ccc(Cl)cc1
CCOCCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 CCOC[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)c1ccc(Cl)cc1
CCOCCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 CCOCC[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1ccc(Cl)cc1
COc1ccccc1CN1C[C@H](C(=O)NC2CCCCC2)CC1=O COc1ccccc1[*:1] O=C(NC1CCCCC1)[C@@H]1CC(=O)N(C1)C[*:1]
COc1ccccc1CN1C[C@H](C(=O)NC2CCCCC2)CC1=O C1CCC(CC1)[*:1] COc1ccccc1CN1C[C@@H](CC1=O)C(=O)N[*:1]
CC(C)(C)OC[C@@H](O)CN1CCN(c2nccs2)CC1 c1csc(n1)[*:1] CC(C)(C)OC[C@@H](O)CN1CCN(CC1)[*:1]
CC(C)(C)OC[C@@H](O)CN1CCN(c2nccs2)CC1 CC(C)(C)[*:1] O[C@H](CO[*:1])CN1CCN(CC1)c1nccs1
CC(C)(C)OC[C@@H](O)CN1CCN(c2nccs2)CC1 CC(C)(C)O[*:1] O[C@@H](CN1CCN(CC1)c1nccs1)C[*:1]
CC(C)(C)OC[C@@H](O)CN1CCN(c2nccs2)CC1 CC(C)(C)OC[*:1] O[C@@H](CN1CCN(CC1)c1nccs1)[*:1]
COc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1OC(C)C C1CC1[*:1] COc1cccc(c1OC(C)C)[C@H]1Nc2ccccc2C(=O)N1[*:1]
COc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1OC(C)C CC(C)O[*:1] COc1cccc(c1[*:1])[C@H]1Nc2ccccc2C(=O)N1C1CC1
COc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1OC(C)C CC(C)[*:1] COc1cccc(c1O[*:1])[C@H]1Nc2ccccc2C(=O)N1C1CC1
Cc1cc(Cl)c(S(=O)(=O)NCCS(N)(=O)=O)cc1N NS(=O)(=O)C[*:1] Cc1cc(Cl)c(cc1N)S(=O)(=O)NC[*:1]
Cc1cc(Cl)c(S(=O)(=O)NCCS(N)(=O)=O)cc1N NS(=O)(=O)[*:1] Cc1cc(Cl)c(cc1N)S(=O)(=O)NCC[*:1]
Cc1cc(Cl)c(S(=O)(=O)NCCS(N)(=O)=O)cc1N NS(=O)(=O)CC[*:1] Cc1cc(Cl)c(cc1N)S(=O)(=O)N[*:1]
O=C(NCCCO)Nc1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] O=C(NCCCO)Nc1cc(ccc1Cl)[*:1]
O=C(NCCCO)Nc1cc(N2CCCC2=O)ccc1Cl OCCC[*:1] O=C(Nc1cc(ccc1Cl)N1CCCC1=O)N[*:1]
O=C(NCCCO)Nc1cc(N2CCCC2=O)ccc1Cl OCC[*:1] O=C(NC[*:1])Nc1cc(ccc1Cl)N1CCCC1=O
CC[C@@H](NS(=O)(=O)N1CCOCC1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NS(=O)(=O)N1CCOCC1)c1nc(cs1)[*:1]
O=C(NCCC(=O)N1CCCC1)NCC1(c2ccc(F)cc2)CCCC1 O=C(C[*:1])N1CCCC1 O=C(NCC1(CCCC1)c1ccc(F)cc1)NC[*:1]
O=C(NCCC(=O)N1CCCC1)NCC1(c2ccc(F)cc2)CCCC1 O=C(N1CCCC1)[*:1] O=C(NCC[*:1])NCC1(CCCC1)c1ccc(F)cc1
O=C(NCCC(=O)N1CCCC1)NCC1(c2ccc(F)cc2)CCCC1 Fc1ccc(cc1)[*:1] O=C(NCCC(=O)N1CCCC1)NCC1(CCCC1)[*:1]
[NH3+][C@@H](Cc1cccnc1)Cc1cc(F)cc(Br)c1 c1cncc(c1)[*:1] [NH3+][C@H](Cc1cc(F)cc(Br)c1)C[*:1]
COc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3ccc(F)cc3)cc2c1 OCC[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(S(=O)(=O)c1ccc(F)cc1)[*:1]
COc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3ccc(F)cc3)cc2c1 Fc1ccc(cc1)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(CCO)S(=O)(=O)[*:1]
Cc1cc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)sc1C O=C(N1CCCCC1)[*:1] Cc1cc(sc1C)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1cc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)sc1C Cc1cc(sc1C)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCCCC1
O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 FC(F)(F)c1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nccnc1Sc1ccccc1
O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 c1ccc(cc1)S[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)[C@@H]1CCCN(C1)c1nccnc1[*:1]
O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)[C@@H]1CCCN(C1)c1nccnc1S[*:1]
O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 FC(F)(F)c1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nccnc1Sc1ccccc1
O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1CCCN(C1)c1nccnc1Sc1ccccc1
COc1ccc(-c2csc(NC(=O)c3cc4cc(OC)cc(OC)c4[nH]3)n2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] COc1cc(OC)c2[nH]c(cc2c1)C(=O)Nc1nc(cs1)[*:1]
COC(=O)/C=C/Sc1ccc(C(F)(F)F)cc1N COC(=O)[*:1] Nc1cc(ccc1SC=C[*:1])C(F)(F)F
COC(=O)/C=C/Sc1ccc(C(F)(F)F)cc1N FC(F)(F)[*:1] COC(=O)/C=C/Sc1ccc(cc1N)[*:1]
COC(=O)/C=C/Sc1ccc(C(F)(F)F)cc1N COC(=O)C=C[*:1] Nc1cc(ccc1S[*:1])C(F)(F)F
CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ncccc1C Cc1ccc(cc1)[*:1] CC[C@@H](O[*:1])C(=O)Nc1ncccc1C
CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ncccc1C Cc1cccnc1[*:1] CC[C@@H](Oc1ccc(C)cc1)C(=O)N[*:1]
Nc1c(C(=O)c2ccc(Br)cc2)cnn1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Nc1c(cnn1-c1ccc(Br)cc1)C(=O)[*:1]
Nc1c(C(=O)c2ccc(Br)cc2)cnn1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Nc1c(cnn1[*:1])C(=O)c1ccc(Br)cc1
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(C#N)cs1 Clc1ccc(cc1)[*:1] C[C@@H]([C@H](C)[*:1])N(C)C(=O)c1cc(C#N)cs1
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(C#N)cs1 N#Cc1csc(c1)[*:1] C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[*:1]
C=CC(=O)N1CCC[C@H](c2nc(CCNC(C)=O)cs2)C1 CC(=O)N[*:1] C=CC(=O)N1CCC[C@@H](C1)c1nc(cs1)CC[*:1]
C=CC(=O)N1CCC[C@H](c2nc(CCNC(C)=O)cs2)C1 CC(=O)NCC[*:1] C=CC(=O)N1CCC[C@@H](C1)c1nc(cs1)[*:1]
C=CC(=O)N1CCC[C@H](c2nc(CCNC(C)=O)cs2)C1 CC(=O)NC[*:1] C=CC(=O)N1CCC[C@@H](C1)c1nc(cs1)C[*:1]
CCc1nsc(N(CC[NH+](C)C)Cc2ccc(C)o2)n1 Cc1ccc(o1)[*:1] CCc1nsc(n1)N(CC[NH+](C)C)C[*:1]
C[NH+](CC(N)=O)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 NC(=O)C[*:1] C[NH+](CC(=O)NCC1(CCCC1)c1ccc(F)cc1)[*:1]
C[NH+](CC(N)=O)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 NC(=O)[*:1] C[NH+](CC(=O)NCC1(CCCC1)c1ccc(F)cc1)C[*:1]
C[NH+](CC(N)=O)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 Fc1ccc(cc1)[*:1] C[NH+](CC(N)=O)CC(=O)NCC1(CCCC1)[*:1]
C[C@@H](c1cccc(Cl)c1)N(C)CC1=NC(=O)[C@H]2SC=CC2=N1 Clc1cccc(c1)[*:1] C[C@@H](N(C)CC1=NC(=O)[C@H]2SC=CC2=N1)[*:1]
Cn1ncc2c1CCCN(C(=O)CCCOc1ccccc1F)C2 Fc1ccccc1O[*:1] Cn1ncc2CN(CCCc21)C(=O)CCC[*:1]
Cn1ncc2c1CCCN(C(=O)CCCOc1ccccc1F)C2 Fc1ccccc1[*:1] Cn1ncc2CN(CCCc21)C(=O)CCCO[*:1]
COc1ccc(C2=NN(c3nc(-c4ccc(CNC(C)=O)cc4)cs3)[C@@H](c3ccco3)C2)cc1 CC(=O)NCc1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)c1nc(cs1)[*:1]
COc1ccc(C2=NN(c3nc(-c4ccc(CNC(C)=O)cc4)cs3)[C@@H](c3ccco3)C2)cc1 COc1ccc(cc1)[*:1] CC(=O)NCc1ccc(cc1)-c1csc(n1)N1N=C(C[C@@H]1c1ccco1)[*:1]
COc1ccc(C2=NN(c3nc(-c4ccc(CNC(C)=O)cc4)cs3)[C@@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C1C[C@H](N(N=1)c1nc(cs1)-c1ccc(cc1)CNC(C)=O)[*:1]
COc1ccc(C2=NN(c3nc(-c4ccc(CNC(C)=O)cc4)cs3)[C@@H](c3ccco3)C2)cc1 CC(=O)NC[*:1] COc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)c1nc(cs1)-c1ccc(cc1)[*:1]
COc1ccc(C2=NN(c3nc(-c4ccc(CNC(C)=O)cc4)cs3)[C@@H](c3ccco3)C2)cc1 CC(=O)N[*:1] COc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)c1nc(cs1)-c1ccc(cc1)C[*:1]
O=C(Nc1nnc(-c2ccc(F)cc2F)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 Fc1ccc(c(F)c1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCCC1
O=C(Nc1nnc(-c2ccc(F)cc2F)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 O=S(=O)(N1CCCCCC1)[*:1] O=C(Nc1nnc(o1)-c1ccc(F)cc1F)c1ccc(cc1)[*:1]
CCc1ccsc1-c1nc(C[NH2+]C2CC2)no1 C1CC1[*:1] CCc1ccsc1-c1nc(C[NH2+][*:1])no1
Cc1ccc(CNC(=O)[C@H](C)SCc2nnnn2-c2c(C)cccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(C)c1-n1nnnc1CS[C@@H](C)C(=O)NC[*:1]
Cc1ccc(CNC(=O)[C@H](C)SCc2nnnn2-c2c(C)cccc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1cccc(C)c1-n1nnnc1CS[C@@H](C)C(=O)N[*:1]
Cc1ccc(CNC(=O)[C@H](C)SCc2nnnn2-c2c(C)cccc2C)cc1 Cc1cccc(C)c1[*:1] Cc1ccc(cc1)CNC(=O)[C@H](C)SCc1nnnn1[*:1]
CNc1scc(-c2ccc(Cl)c(Cl)c2)[n+]1/N=C/c1ccc(SC)cc1 Clc1ccc(cc1Cl)[*:1] CNc1scc([n+]1/N=C/c1ccc(cc1)SC)[*:1]
CNc1scc(-c2ccc(Cl)c(Cl)c2)[n+]1/N=C/c1ccc(SC)cc1 CSc1ccc(cc1)[*:1] CNc1scc(-c2ccc(Cl)c(Cl)c2)[n+]1N=C[*:1]
CCCCOc1ccc(/C=C(\C#N)C(=O)NC)cc1OC CCCCO[*:1] CNC(=O)/C(C#N)=C/c1ccc(c(c1)OC)[*:1]
CCCCOc1ccc(/C=C(\C#N)C(=O)NC)cc1OC CCC[*:1] CNC(=O)/C(C#N)=C/c1ccc(OC[*:1])c(c1)OC
CCCCOc1ccc(/C=C(\C#N)C(=O)NC)cc1OC CCCC[*:1] CNC(=O)/C(C#N)=C/c1ccc(O[*:1])c(c1)OC
CCCCOc1ccc(/C=C(\C#N)C(=O)NC)cc1OC CNC(=O)[*:1] CCCCOc1ccc(C=C(C#N)[*:1])cc1OC
Cn1cnnc1SCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 Cn1cnnc1[*:1] O=C(CS[*:1])Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-]
Cn1cnnc1SCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 Cn1cnnc1S[*:1] O=C(C[*:1])Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-]
Cn1cnnc1SCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 O=C([O-])[*:1] Cn1cnnc1SCC(=O)Nc1cc(cc(c1)[*:1])C(=O)[O-]
CC(=O)NCCc1ccccc1 CC(=O)N[*:1] c1ccc(cc1)CC[*:1]
CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 CC(C)(C)[*:1] c1ccc2CN(CCc2c1)c1ccc(cn1)C[NH2+]Cc1c[nH]nc1[*:1]
CN(CCSCc1nc(N)c2ccccc2n1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCSCc1nc(N)c2ccccc2n1)[*:1]
CN(Cc1ccccc1)C(=O)CSc1ncn[nH]1 c1n[nH]c(n1)S[*:1] CN(Cc1ccccc1)C(=O)C[*:1]
CN(Cc1ccccc1)C(=O)CSc1ncn[nH]1 c1n[nH]c(n1)[*:1] CN(Cc1ccccc1)C(=O)CS[*:1]
CN(Cc1ccccc1)C(=O)CSc1ncn[nH]1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CSc1ncn[nH]1
CCC[C@@H](O)CNC(=O)Nc1cccc(F)c1C CCC[*:1] Cc1c(F)cccc1NC(=O)NC[C@H](O)[*:1]
CCC[C@@H](O)CNC(=O)Nc1cccc(F)c1C CCC[C@@H](O)[*:1] Cc1c(F)cccc1NC(=O)NC[*:1]
CCC[C@@H](O)CNC(=O)Nc1cccc(F)c1C CCC[C@@H](O)C[*:1] Cc1c(F)cccc1NC(=O)N[*:1]
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN1S(=O)(=O)[*:1]
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
CCOC(=O)C[C@H](c1oc(CO)cc(=O)c1O)c1c(Cl)cccc1Cl CCOC(=O)C[*:1] O=c1cc(CO)oc(c1O)[C@H](c1c(Cl)cccc1Cl)[*:1]
CCOC(=O)C[C@H](c1oc(CO)cc(=O)c1O)c1c(Cl)cccc1Cl CCOC(=O)[*:1] O=c1cc(CO)oc(c1O)[C@@H](C[*:1])c1c(Cl)cccc1Cl
CCOC(=O)C[C@H](c1oc(CO)cc(=O)c1O)c1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] CCOC(=O)C[C@H](c1oc(cc(=O)c1O)CO)[*:1]
COc1ccc(NC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc1F FC(F)O[*:1] COc1ccc(cc1F)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc1F FC(F)[*:1] COc1ccc(cc1F)NC(=O)N[C@H](C)c1ccc(cc1)O[*:1]
C[C@@H](NC(=O)c1ccc(CSc2ncn[nH]2)cc1)c1cccc(Cl)c1 c1n[nH]c(n1)S[*:1] C[C@@H](NC(=O)c1ccc(cc1)C[*:1])c1cccc(Cl)c1
C[C@@H](NC(=O)c1ccc(CSc2ncn[nH]2)cc1)c1cccc(Cl)c1 c1n[nH]c(n1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)CS[*:1])c1cccc(Cl)c1
C[C@@H](NC(=O)c1ccc(CSc2ncn[nH]2)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)CSc1ncn[nH]1)[*:1]
C[C@@H](NC(=O)c1ccc(CSc2ncn[nH]2)cc1)c1cccc(Cl)c1 c1n[nH]c(n1)SC[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1cccc(Cl)c1
O=S(=O)(c1ccc(S(=O)(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC[NH+](CC1)Cc1ccc(F)cc1
O=S(=O)(c1ccc(S(=O)(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1)N1CCCC1 Fc1ccc(cc1)[*:1] O=S(=O)(c1ccc(cc1)S(=O)(=O)N1CCC[NH+](CC1)C[*:1])N1CCCC1
O=S(=O)(c1ccc(S(=O)(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1)N1CCCC1 Fc1ccc(cc1)C[*:1] O=S(=O)(c1ccc(cc1)S(=O)(=O)N1CCC[NH+](CC1)[*:1])N1CCCC1
CC(=O)N1CCN(Cc2cc(NCCOc3cccc(C)c3)cc[nH+]2)CC1 CC(=O)N1CCN(CC1)[*:1] Cc1cccc(c1)OCCNc1cc[nH+]c(c1)C[*:1]
CC(=O)N1CCN(Cc2cc(NCCOc3cccc(C)c3)cc[nH+]2)CC1 Cc1cccc(c1)OC[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)NC[*:1]
CC(=O)N1CCN(Cc2cc(NCCOc3cccc(C)c3)cc[nH+]2)CC1 Cc1cccc(c1)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)NCCO[*:1]
CC(=O)N1CCN(Cc2cc(NCCOc3cccc(C)c3)cc[nH+]2)CC1 Cc1cccc(c1)O[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)NCC[*:1]
C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)[C@@H]1C FC(F)(F)[*:1] C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc(c2)[*:1])[C@@H]1C
CC(C)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)on1 CC(C)[*:1] C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(no1)[*:1]
COC(=O)c1cc(F)c(C)c(NCc2cc(=O)n3ccsc3[nH+]2)c1 COC(=O)[*:1] Cc1c(F)cc(cc1NCc1cc(=O)n2ccsc2[nH+]1)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 CC(C)C[*:1] C[C@@H](N(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 CC(C)C[C@@H](C)[*:1] CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 CC(C)[*:1] C[C@H](C[*:1])N(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
CCS(=O)(=O)CCN(C)Cc1cc(OC)ccc1Br CCS(=O)(=O)[*:1] COc1ccc(Br)c(c1)CN(C)CC[*:1]
CCS(=O)(=O)CCN(C)Cc1cc(OC)ccc1Br CCS(=O)(=O)C[*:1] COc1ccc(Br)c(c1)CN(C)C[*:1]
COC(=O)[C@H](Sc1nnc2cc(C)c3ccccc3n12)c1ccccc1 COC(=O)[*:1] Cc1cc2nnc(S[C@H](c3ccccc3)[*:1])n2c2ccccc12
COC(=O)[C@H](Sc1nnc2cc(C)c3ccccc3n12)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](Sc1nnc2cc(C)c3ccccc3n12)[*:1]
Cc1nc(CN(C)C(=O)N[C@H](C)c2ccc(F)cc2)cs1 Cc1nc(cs1)[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1ccc(F)cc1
Cc1nc(CN(C)C(=O)N[C@H](C)c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)CN(C)C(=O)N[C@H](C)[*:1]
Cc1nc(CN(C)C(=O)N[C@H](C)c2ccc(F)cc2)cs1 Cc1nc(cs1)C[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccc(F)cc1
CC(C)Oc1ccc(NC(=O)[C@@H]2CCCNC2=O)cc1 CC(C)O[*:1] O=C1NCCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CC(C)Oc1ccc(NC(=O)[C@@H]2CCCNC2=O)cc1 CC(C)[*:1] O=C1NCCC[C@H]1C(=O)Nc1ccc(cc1)O[*:1]
COc1cc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc(OC)c1OC c1coc(c1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)c1sc(nc1-c1ccccc1)[*:1]
COc1cc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)c1sc(nc1[*:1])-c1ccco1
C=CCN1/C(=N/C(=O)Cc2ccc(F)cc2)S[C@H]2CS(=O)(=O)C[C@H]21 Fc1ccc(cc1)[*:1] C=CCN1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
C=CCN1/C(=N/C(=O)Cc2ccc(F)cc2)S[C@H]2CS(=O)(=O)C[C@H]21 C=CC[*:1] O=C(Cc1ccc(F)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
C=CCN1/C(=N/C(=O)Cc2ccc(F)cc2)S[C@H]2CS(=O)(=O)C[C@H]21 Fc1ccc(cc1)C[*:1] C=CCN1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)[*:1])C(=O)NCC(C)C
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(Cl)c1 CC(C)C[*:1] Cc1cc(ccc1NC(=O)c1cccc(Cl)c1)C(=O)N[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(Cl)c1 CC(C)[*:1] Cc1cc(ccc1NC(=O)c1cccc(Cl)c1)C(=O)NC[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(Cl)c1 CC(C)CNC(=O)[*:1] Cc1cc(ccc1NC(=O)c1cccc(Cl)c1)[*:1]
C#CC[NH2+]CC(=O)Nc1ccccc1-c1nc(C)no1 Cc1noc(n1)[*:1] C#CC[NH2+]CC(=O)Nc1ccccc1[*:1]
O=C(NNc1cccc(F)c1F)c1ccc(CN2C(=O)CCC2=O)cc1 Fc1cccc(c1F)[*:1] O=C(NN[*:1])c1ccc(cc1)CN1C(=O)CCC1=O
O=C(NNc1cccc(F)c1F)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] O=C(NNc1cccc(F)c1F)c1ccc(cc1)C[*:1]
O=C(NNc1cccc(F)c1F)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1C[*:1] O=C(NNc1cccc(F)c1F)c1ccc(cc1)[*:1]
CCN1CC(=O)N(CCCC(N)=S)CC1=O NC(=S)[*:1] CCN1CC(=O)N(CCC[*:1])CC1=O
CCN1CC(=O)N(CCCC(N)=S)CC1=O NC(=S)C[*:1] CCN1CC(=O)N(CC[*:1])CC1=O
CCN1CC(=O)N(CCCC(N)=S)CC1=O NC(=S)CC[*:1] CCN1CC(=O)N(CC1=O)C[*:1]
Cc1noc([C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)n1 Cc1noc(n1)[*:1] O=C1C[C@H](CN1c1ccc2CCCc2c1)[*:1]
CCCn1nc(C)cc1-c1nn2c(C(C)C)nnc2s1 CCC[*:1] Cc1cc(-c2nn3c(nnc3s2)C(C)C)n(n1)[*:1]
CCCn1nc(C)cc1-c1nn2c(C(C)C)nnc2s1 CC(C)[*:1] CCCn1nc(C)cc1-c1nn2c(nnc2s1)[*:1]
CSc1ccc(-c2n[nH]c(N)c2-c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CSc1ccc(cc1)-c1n[nH]c(N)c1[*:1]
COc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(=O)Nc2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1CC(=O)N[*:1]
COc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(=O)Nc2ccccn2)cc1 COc1ccc(cc1)[*:1] O=C(CN1C(=O)c2ccccc2N[C@@H]1[*:1])Nc1ccccn1
COc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(=O)Nc2ccccn2)cc1 O=C(Nc1ccccn1)[*:1] COc1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc(NC(=O)C3CC3)cc2Cl)cc1 C1CC1[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1c(Cl)cc(cc1Cl)NC(=O)[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc(NC(=O)C3CC3)cc2Cl)cc1 CS(=O)(=O)[*:1] O=C(Nc1c(Cl)cc(cc1Cl)NC(=O)C1CC1)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc(NC(=O)C3CC3)cc2Cl)cc1 O=C(N[*:1])C1CC1 CS(=O)(=O)c1ccc(cc1)C(=O)Nc1c(Cl)cc(cc1Cl)[*:1]
COc1ccc(S(=O)(=O)CC(=O)N(C[C@H]2CCCO2)c2nc3ccc(C)cc3s2)cc1 Cc1ccc2nc(sc2c1)[*:1] COc1ccc(cc1)S(=O)(=O)CC(=O)N(C[C@H]1CCCO1)[*:1]
COc1ccc(S(=O)(=O)CC(=O)N(C[C@H]2CCCO2)c2nc3ccc(C)cc3s2)cc1 COc1ccc(cc1)[*:1] Cc1ccc2nc(sc2c1)N(C[C@H]1CCCO1)C(=O)CS(=O)(=O)[*:1]
CCN1C[C@H](C(=O)NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)CC1=O CCN1C[C@H](CC1=O)[*:1] CN(C)C(=O)N1CCn2nc(cc2C1)CNC(=O)[*:1]
CCC[NH2+][C@@H]1[C@H](Sc2nc(C)n[nH]2)CCC1(C)C Cc1n[nH]c(n1)[*:1] CCC[NH2+][C@@H]1[C@@H](CCC1(C)C)S[*:1]
CCC[NH2+][C@@H]1[C@H](Sc2nc(C)n[nH]2)CCC1(C)C CCC[*:1] Cc1n[nH]c(n1)S[C@@H]1CCC(C)(C)[C@@H]1[NH2+][*:1]
CCC(=O)Nc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 CCC(=O)N[*:1] [NH3+][C@H]1C=C[C@@H](C1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)N1CCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)CC1 C1CN(CCO1)C[*:1] CC(=O)N1CCN(CC1)c1nc(nc2sc3CCCc3c12)[*:1]
CC(=O)N1CCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)CC1 CC(=O)N1CCN(CC1)[*:1] C1Cc2sc3nc(CN4CCOCC4)nc(c3c2C1)[*:1]
CC(=O)N1CCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)CC1 C1CN(CCO1)[*:1] CC(=O)N1CCN(CC1)c1nc(C[*:1])nc2sc3CCCc3c12
CC[C@H](NC(=O)c1cc(C(C)C)n(C)n1)C(=O)N1CCOCC1 CC(C)[*:1] CC[C@H](NC(=O)c1cc(n(C)n1)[*:1])C(=O)N1CCOCC1
O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)Nc1ccc2[nH]c(=O)[nH]c2c1 O=c1[nH]c2ccc(cc2[nH]1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N[*:1]
CCOc1cccc([C@@H](C)NC(=O)Nc2cc(C)nn2C)c1 CCO[*:1] Cc1cc(NC(=O)N[C@H](C)c2cccc(c2)[*:1])n(C)n1
CCOc1cccc([C@@H](C)NC(=O)Nc2cc(C)nn2C)c1 Cc1cc(n(C)n1)[*:1] CCOc1cccc(c1)[C@@H](C)NC(=O)N[*:1]
CCCCNS(=O)(=O)c1ccc(Br)cc1 CCC[*:1] O=S(=O)(NC[*:1])c1ccc(Br)cc1
CCCCNS(=O)(=O)c1ccc(Br)cc1 CCCC[*:1] O=S(=O)(N[*:1])c1ccc(Br)cc1
CCc1ccccc1[C@H](C[NH3+])N(CC(C)C)C1CCCC1 C1CCC(C1)[*:1] CCc1ccccc1[C@H](C[NH3+])N(CC(C)C)[*:1]
CCc1ccccc1[C@H](C[NH3+])N(CC(C)C)C1CCCC1 CC(C)C[*:1] CCc1ccccc1[C@H](C[NH3+])N(C1CCCC1)[*:1]
CCc1ccccc1[C@H](C[NH3+])N(CC(C)C)C1CCCC1 CC(C)[*:1] CCc1ccccc1[C@H](C[NH3+])N(C[*:1])C1CCCC1
Cc1nc(/C=C/C([O-])=N/S(=O)(=O)c2ccc(Cl)cc2)cs1 Clc1ccc(cc1)[*:1] Cc1nc(/C=C/C([O-])=N/S(=O)(=O)[*:1])cs1
Cc1nc(/C=C/C([O-])=N/S(=O)(=O)c2ccc(Cl)cc2)cs1 Cc1nc(cs1)[*:1] O=S(=O)(/N=C(\[O-])C=C[*:1])c1ccc(Cl)cc1
Cc1ccc(NC(=O)[C@H](C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)NC(=O)[C@H](C)[*:1]
CCCCn1c([S@@](=O)[C@@H](CC)c2ccccc2)n[nH]c1=O c1ccc(cc1)[*:1] CCCCn1c(n[nH]c1=O)[S@@](=O)[C@@H](CC)[*:1]
CCCCn1c([S@@](=O)[C@@H](CC)c2ccccc2)n[nH]c1=O CCC[*:1] CC[C@@H](c1ccccc1)[S@](=O)c1n[nH]c(=O)n1C[*:1]
CCCCn1c([S@@](=O)[C@@H](CC)c2ccccc2)n[nH]c1=O CCCC[*:1] CC[C@@H](c1ccccc1)[S@](=O)c1n[nH]c(=O)n1[*:1]
Cc1ccnc(NNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 O=C(N[*:1])[C@H]1CCCO1 Cc1ccnc(c1)NNC(=O)c1cccc(c1)[*:1]
Cc1ccnc(NNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 Cc1ccnc(c1)[*:1] O=C(NN[*:1])c1cccc(c1)NC(=O)[C@H]1CCCO1
C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)n1cccc1 C[C@H](n1cccc1)[*:1] CN(C(=O)C[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)n1cccc1 c1ccn(c1)[*:1] C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)[*:1]
C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)n1cccc1 CS(=O)(=O)[*:1] C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[*:1])n1cccc1
COc1ccc(-c2nc3n(n2)[C@H](c2ccncc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 O=C(Nc1cccnc1)[*:1] COc1ccc(cc1)-c1nc2NC(C)=C([C@@H](c3ccncc3)n2n1)[*:1]
COc1ccc(-c2nc3n(n2)[C@H](c2ccncc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-c1nc2NC(C)=C(C(=O)Nc3cccnc3)[C@@H](n2n1)[*:1]
COc1ccc(-c2nc3n(n2)[C@H](c2ccncc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 COc1ccc(cc1)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)Nc1cccnc1)c1ccncc1)[*:1]
COc1ccc(-c2nc3n(n2)[C@H](c2ccncc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)-c1nc2NC(C)=C(C(=O)N[*:1])[C@@H](c3ccncc3)n2n1
CC[C@@H](Nc1nc(-c2ccco2)nc2c1CC[NH2+]CC2)c1cccnc1 c1coc(c1)[*:1] CC[C@@H](Nc1nc(nc2CC[NH2+]CCc21)[*:1])c1cccnc1
CC[C@@H](Nc1nc(-c2ccco2)nc2c1CC[NH2+]CC2)c1cccnc1 c1cncc(c1)[*:1] CC[C@@H](Nc1nc(nc2CC[NH2+]CCc21)-c1ccco1)[*:1]
CCOc1ncccc1C(=O)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1 CCOc1ncccc1[*:1] O=C(N(Cc1nnc(o1)-c1ccccc1Br)C1CC1)[*:1]
CCOc1ncccc1C(=O)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1 C1CC1[*:1] CCOc1ncccc1C(=O)N(Cc1nnc(o1)-c1ccccc1Br)[*:1]
CCOc1ncccc1C(=O)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1 CCO[*:1] O=C(c1cccnc1[*:1])N(Cc1nnc(o1)-c1ccccc1Br)C1CC1
CCOc1ncccc1C(=O)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1 Brc1ccccc1[*:1] CCOc1ncccc1C(=O)N(Cc1nnc(o1)[*:1])C1CC1
O=C1N[C@]2(CCc3ccccc32)C(=O)N1CCOc1cccc(Cl)c1 Clc1cccc(c1)O[*:1] O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC[*:1]
O=C1N[C@]2(CCc3ccccc32)C(=O)N1CCOc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1N[C@]2(CCc3ccccc32)C(=O)N1CCO[*:1]
Cc1cc(C)cc(C(=O)Nc2cccc(-c3cn4c(C(=O)N5CCCCC5)csc4n3)c2)c1 Cc1cc(C)cc(c1)C(=O)N[*:1] O=C(c1csc2nc(cn12)-c1cccc(c1)[*:1])N1CCCCC1
Cc1cc(C)cc(C(=O)Nc2cccc(-c3cn4c(C(=O)N5CCCCC5)csc4n3)c2)c1 Cc1cc(C)cc(c1)[*:1] O=C(c1csc2nc(cn12)-c1cccc(c1)NC(=O)[*:1])N1CCCCC1
Cc1cc(C)cc(C(=O)Nc2cccc(-c3cn4c(C(=O)N5CCCCC5)csc4n3)c2)c1 O=C(N1CCCCC1)[*:1] Cc1cc(C)cc(c1)C(=O)Nc1cccc(c1)-c1cn2c(csc2n1)[*:1]
CCOc1cccc2c1OCC(C(=O)Nc1cncc(C)c1)=C2 Cc1cncc(c1)[*:1] CCOc1cccc2C=C(COc21)C(=O)N[*:1]
CCOc1cccc2c1OCC(C(=O)Nc1cncc(C)c1)=C2 CCO[*:1] Cc1cncc(c1)NC(=O)C1=Cc2cccc(c2OC1)[*:1]
c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 c1ccc(cc1)[*:1] c1[nH]nc2CC[C@H](Cc12)[NH2+][C@H]1CCC[C@H]1C[*:1]
c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 c1ccc(cc1)C[*:1] c1[nH]nc2CC[C@H](Cc12)[NH2+][C@H]1CCC[C@H]1[*:1]
CC(C)(CNC(=O)N1CCc2cc(F)ccc2C1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N1CCc2cc(F)ccc2C1)[*:1]
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CCn1cc[nH+]c1C(C)C CC(C)[*:1] CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CCn1cc[nH+]c1[*:1]
COCOc1ccc(OC)cc1C[NH+]1CCN(C(=O)c2ccc(C)o2)CC1 COCO[*:1] COc1ccc(c(c1)C[NH+]1CCN(CC1)C(=O)c1ccc(C)o1)[*:1]
COCOc1ccc(OC)cc1C[NH+]1CCN(C(=O)c2ccc(C)o2)CC1 Cc1ccc(o1)[*:1] COCOc1ccc(cc1C[NH+]1CCN(CC1)C(=O)[*:1])OC
COCOc1ccc(OC)cc1C[NH+]1CCN(C(=O)c2ccc(C)o2)CC1 COC[*:1] COc1ccc(O[*:1])c(c1)C[NH+]1CCN(CC1)C(=O)c1ccc(C)o1
CC[C@H](Sc1nc2ccccc2c2nc(C)nn12)C(=O)Nc1cc(OC)ccc1OC COc1ccc(OC)c(c1)[*:1] CC[C@H](Sc1nc2ccccc2c2nc(C)nn12)C(=O)N[*:1]
CC/C=C/CC(=O)N(Cc1ccncc1)[C@@H](C)CC CC[C@H](C)[*:1] CC/C=C/CC(=O)N(Cc1ccncc1)[*:1]
CC/C=C/CC(=O)N(Cc1ccncc1)[C@@H](C)CC CC/C=C/C[*:1] CC[C@H](C)N(Cc1ccncc1)C(=O)[*:1]
CC/C=C/CC(=O)N(Cc1ccncc1)[C@@H](C)CC c1cc(ccn1)[*:1] CC/C=C/CC(=O)N(C[*:1])[C@@H](C)CC
CC/C=C/CC(=O)N(Cc1ccncc1)[C@@H](C)CC CCC=C[*:1] CC[C@H](C)N(Cc1ccncc1)C(=O)C[*:1]
CCc1ccccc1OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 O=[N+]([O-])[*:1] CCc1ccccc1OC(=O)c1cc(cc(c1)[*:1])S(C)(=O)=O
CCc1ccccc1OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 CCc1ccccc1[*:1] CS(=O)(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O[*:1]
CCc1ccccc1OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCc1ccccc1OC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
Cc1cc(C)cc(C(=O)N2CCN(c3[nH+]ncc4ccccc34)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N1CCN(CC1)c1[nH+]ncc2ccccc12)[*:1]
CCOc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C2CCCCC2)c(C)c1 C1CCC(CC1)[*:1] CCOc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2[*:1])c(C)c1
CCOc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C2CCCCC2)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)C(=O)N[C@H]1C[C@H]1C1CCCCC1)[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1 c1ccc2c(c1)ncn2[*:1] CC[C@@H](C)NS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)Cc1cccc(Cl)c1)c1noc(Cc2ccccc2)n1 Clc1cccc(c1)C[*:1] C[C@H](NC(=O)[*:1])c1noc(Cc2ccccc2)n1
C[C@H](NC(=O)Cc1cccc(Cl)c1)c1noc(Cc2ccccc2)n1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)C[*:1])c1noc(Cc2ccccc2)n1
C[C@H](NC(=O)Cc1cccc(Cl)c1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)Cc1cccc(Cl)c1)c1noc(n1)[*:1]
C[C@H](NC(=O)Cc1cccc(Cl)c1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cc1cccc(Cl)c1)c1noc(C[*:1])n1
CN1/C(=C\C=N\NC(=O)COc2ccc(Cl)cc2)C(C)(C)c2ccccc21 Clc1ccc(cc1)O[*:1] CN1/C(=C\C=N\NC(=O)C[*:1])C(C)(C)c2ccccc21
CN1/C(=C\C=N\NC(=O)COc2ccc(Cl)cc2)C(C)(C)c2ccccc21 Clc1ccc(cc1)OC[*:1] CN1/C(=C\C=N\NC(=O)[*:1])C(C)(C)c2ccccc21
CN1/C(=C\C=N\NC(=O)COc2ccc(Cl)cc2)C(C)(C)c2ccccc21 Clc1ccc(cc1)[*:1] CN1/C(=C\C=N\NC(=O)CO[*:1])C(C)(C)c2ccccc21
COCC1(C)CCN(c2c(C#N)cnc3c(C)cc(C)cc23)CC1 COC[*:1] Cc1cc(C)c2ncc(C#N)c(c2c1)N1CCC(C)(CC1)[*:1]
C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)n1cncn1 Clc1ccc(cc1)[*:1] C[C@H](C(=O)N[C@@H](C1CC1)[*:1])n1cncn1
C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)[*:1]
C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)n1cncn1 C[C@H](n1cncn1)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)[*:1]
C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)n1cncn1 C1CC1[*:1] C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1])n1cncn1
CC(C)c1nnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1 c1nnnn1C[*:1] CC(C)c1nnc(NC(=O)CC2(CCCCC2)[*:1])s1
CC(C)c1nnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1 CC(C)c1nnc(s1)[*:1] O=C(CC1(CCCCC1)Cn1cnnn1)N[*:1]
CC(C)c1nnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1 CC(C)[*:1] O=C(CC1(CCCCC1)Cn1cnnn1)Nc1nnc(s1)[*:1]
CC(C)c1nnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1 c1nnnn1[*:1] CC(C)c1nnc(NC(=O)CC2(CCCCC2)C[*:1])s1
CC(C)Oc1ccc(-c2nonc2NC(=O)c2ccccc2)cc1 CC(C)O[*:1] O=C(Nc1nonc1-c1ccc(cc1)[*:1])c1ccccc1
CC(C)Oc1ccc(-c2nonc2NC(=O)c2ccccc2)cc1 CC(C)[*:1] O=C(Nc1nonc1-c1ccc(cc1)O[*:1])c1ccccc1
CC(C)Oc1ccc(-c2nonc2NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)-c1nonc1NC(=O)[*:1]
O=C(CSC(c1ccccc1)c1ccccc1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(CSC(c1ccccc1)[*:1])N1CCCCC1
Cc1cc(-c2noc([C@H](C)S(=O)(=O)C3CCCC3)n2)ccc1F C1CCC(C1)[*:1] Cc1cc(ccc1F)-c1noc(n1)[C@H](C)S(=O)(=O)[*:1]
Cc1ccccc1N1C(=O)/C(=C/c2cccs2)NC1=S c1csc(c1)[*:1] Cc1ccccc1N1C(=O)C(=C[*:1])NC1=S
CCc1cnc(CN(C)C(=O)NCc2ccc(SC)cc2)s1 CCc1cnc(s1)[*:1] CSc1ccc(cc1)CNC(=O)N(C)C[*:1]
COCc1cccc(NC(=O)N(Cc2ccc(C)o2)C(C)C)c1 CC(C)[*:1] COCc1cccc(c1)NC(=O)N(Cc1ccc(C)o1)[*:1]
COCc1cccc(NC(=O)N(Cc2ccc(C)o2)C(C)C)c1 Cc1ccc(C[*:1])o1 COCc1cccc(c1)NC(=O)N(C(C)C)[*:1]
COCc1cccc(NC(=O)N(Cc2ccc(C)o2)C(C)C)c1 COC[*:1] Cc1ccc(CN(C(=O)Nc2cccc(c2)[*:1])C(C)C)o1
COCc1cccc(NC(=O)N(Cc2ccc(C)o2)C(C)C)c1 Cc1ccc(o1)[*:1] COCc1cccc(c1)NC(=O)N(C[*:1])C(C)C
CCC[NH+]1CCCN(C(=O)NCc2ccccc2C)CC1 CCC[*:1] Cc1ccccc1CNC(=O)N1CCC[NH+](CC1)[*:1]
CCC[NH+]1CCCN(C(=O)NCc2ccccc2C)CC1 Cc1ccccc1[*:1] CCC[NH+]1CCCN(CC1)C(=O)NC[*:1]
CN(CC(C)(C)C[NH3+])C(=O)CSc1ccccc1 c1ccc(cc1)[*:1] CN(CC(C)(C)C[NH3+])C(=O)CS[*:1]
Cc1ccc(C(C)(C)C)c(OCCN2CC[NH2+]CC2)c1 CC(C)(C)[*:1] Cc1ccc(c(c1)OCCN1CC[NH2+]CC1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](Oc2cccc(Br)n2)C1 Brc1cccc(n1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](Oc2cccc(Br)n2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)Oc1cccc(Br)n1
CCOC(=O)c1csc(CN(C(=O)c2cccc(Cl)c2)C(C)(C)C)n1 CCOC(=O)[*:1] CC(C)(C)N(Cc1nc(cs1)[*:1])C(=O)c1cccc(Cl)c1
CCOC(=O)c1csc(CN(C(=O)c2cccc(Cl)c2)C(C)(C)C)n1 Clc1cccc(c1)[*:1] CCOC(=O)c1csc(CN(C(=O)[*:1])C(C)(C)C)n1
CCOC(=O)c1csc(CN(C(=O)c2cccc(Cl)c2)C(C)(C)C)n1 CC(C)(C)[*:1] CCOC(=O)c1csc(CN(C(=O)c2cccc(Cl)c2)[*:1])n1
CS[C@H]1CC[C@@H](NC(=O)c2cnn(-c3ccccc3C)c2C)C1 Cc1ccccc1[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1cnn(c1C)[*:1]
COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC1CCN(CC1)C(=O)CCNS(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CCC[NH2+][C@@H](C)c1ccnc(Oc2ccccc2SC)c1 CCC[*:1] CSc1ccccc1Oc1cc(ccn1)[C@H](C)[NH2+][*:1]
CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2c[nH]nc2C2CCCCC2)C1 CC(C)C[*:1] CC(=O)N[C@H]1C[C@H](O[C@@H](C1)[*:1])c1c[nH]nc1C1CCCCC1
CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2c[nH]nc2C2CCCCC2)C1 CC(=O)N[*:1] CC(C)C[C@H]1C[C@H](C[C@H](O1)c1c[nH]nc1C1CCCCC1)[*:1]
CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2c[nH]nc2C2CCCCC2)C1 CC(C)[*:1] CC(=O)N[C@@H]1C[C@H](C[*:1])O[C@@H](C1)c1c[nH]nc1C1CCCCC1
CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2c[nH]nc2C2CCCCC2)C1 C1CCC(CC1)[*:1] CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@@H](C1)c1c[nH]nc1[*:1]
CCn1cc(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)cn1 C1CCN(C1)[*:1] CCn1cc(cn1)C(=O)N[C@H](C)c1cccc(c1)[*:1]
CCn1cc(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)cn1 CCn1cc(cn1)[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)N1CCCC1
CCn1nc(C)c(NC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c1C CCn1nc(C)c(c1C)[*:1] COc1ccc(cc1OC)[C@@H]1CCCN1C(=O)N[*:1]
O=C(NC[C@@H](Cc1cccc(F)c1)n1cccc1)c1ccc([O-])nn1 Fc1cccc(c1)C[*:1] O=C(NC[C@@H](n1cccc1)[*:1])c1ccc([O-])nn1
O=C(NC[C@@H](Cc1cccc(F)c1)n1cccc1)c1ccc([O-])nn1 [O-]c1ccc(nn1)[*:1] O=C(NC[C@@H](Cc1cccc(F)c1)n1cccc1)[*:1]
O=C(NC[C@@H](Cc1cccc(F)c1)n1cccc1)c1ccc([O-])nn1 Fc1cccc(c1)[*:1] O=C(NC[C@@H](C[*:1])n1cccc1)c1ccc([O-])nn1
O=C(NC[C@@H](Cc1cccc(F)c1)n1cccc1)c1ccc([O-])nn1 c1ccn(c1)[*:1] O=C(NC[C@@H](Cc1cccc(F)c1)[*:1])c1ccc([O-])nn1
CC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 CC(=O)C[*:1] O=c1oc2cc(O[*:1])c(Cl)cc2c2CCCCc21
CC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 CC(=O)[*:1] O=c1oc2cc(OC[*:1])c(Cl)cc2c2CCCCc21
CC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 CC(=O)CO[*:1] O=c1oc2cc(c(Cl)cc2c2CCCCc21)[*:1]
CNS(=O)(=O)c1cc(C(=O)NCc2ccccn2)n(C)c1 c1ccc(C[*:1])nc1 CNS(=O)(=O)c1cc(C(=O)N[*:1])n(C)c1
CNS(=O)(=O)c1cc(C(=O)NCc2ccccn2)n(C)c1 CNS(=O)(=O)[*:1] Cn1cc(cc1C(=O)NCc1ccccn1)[*:1]
CNS(=O)(=O)c1cc(C(=O)NCc2ccccn2)n(C)c1 c1ccc(nc1)[*:1] CNS(=O)(=O)c1cc(C(=O)NC[*:1])n(C)c1
COc1cccc(/C=C2\N=C(c3cc(C)ccc3[N+](=O)[O-])OC2=O)c1OC O=[N+]([O-])[*:1] COc1cccc(/C=C2\N=C(OC2=O)c2cc(C)ccc2[*:1])c1OC
CCOc1ccccc1/C=C/C(=O)N1CCc2sccc2C1 CCO[*:1] O=C(/C=C/c1ccccc1[*:1])N1CCc2sccc2C1
CC(C)Oc1cccc([C@@H](O)CSc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CC(C)Oc1cccc(c1)[C@@H](O)CS[*:1]
CC(C)Oc1cccc([C@@H](O)CSc2cccc(F)c2)c1 CC(C)[*:1] O[C@@H](CSc1cccc(F)c1)c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@@H](O)CSc2cccc(F)c2)c1 CC(C)O[*:1] O[C@@H](CSc1cccc(F)c1)c1cccc(c1)[*:1]
O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1cccnc1Cl c1ccc(cc1)C[*:1] O=C(CN1C(=O)N[C@H](C[*:1])C1=O)Nc1cccnc1Cl
O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)N[*:1]
O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1cccnc1Cl c1ccc(cc1)CC[*:1] O=C(CN1C(=O)N[C@H](C1=O)[*:1])Nc1cccnc1Cl
O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1cccnc1Cl c1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@H](CC[*:1])C1=O)Nc1cccnc1Cl
Cc1cccc(CNS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2C)c1 Cc1cccc(c1)C[*:1] Cc1cc(ccc1S(=O)(=O)N[*:1])N1C(=O)[C@H](C)CS1(=O)=O
Cc1cccc(CNS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2C)c1 Cc1cccc(c1)[*:1] Cc1cc(ccc1S(=O)(=O)NC[*:1])N1C(=O)[C@H](C)CS1(=O)=O
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(C(=O)[O-])cc3)nn1-c1ccc(F)cc1)C2 O=C([O-])c1ccc(cc1)[*:1] COc1cc2Cc3c(nn(-c4ccc(F)cc4)c3-c2cc1OC)C(=O)N[*:1]
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(C(=O)[O-])cc3)nn1-c1ccc(F)cc1)C2 Fc1ccc(cc1)[*:1] COc1cc2Cc3c(nn(c3-c2cc1OC)[*:1])C(=O)Nc1ccc(cc1)C(=O)[O-]
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(C(=O)[O-])cc3)nn1-c1ccc(F)cc1)C2 O=C([O-])[*:1] COc1cc2Cc3c(nn(-c4ccc(F)cc4)c3-c2cc1OC)C(=O)Nc1ccc(cc1)[*:1]
COC[C@@H](C)CNC(=O)c1ccc(C)c(Br)c1 COC[*:1] Cc1ccc(cc1Br)C(=O)NC[C@H](C)[*:1]
COC[C@@H](C)CNC(=O)c1ccc(C)c(Br)c1 COC[C@@H](C)[*:1] Cc1ccc(cc1Br)C(=O)NC[*:1]
O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)C(=O)N1CCC[C@@H](CO)C1 FC(F)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)[*:1])C(=O)N1CCC[C@@H](CO)C1
COC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@@H]1O[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] COC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@@H]1O[*:1]
COC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@@H]1O[C@H]1CCCCO1 C1CC[C@@H](OC1)O[*:1] COC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@H]1[*:1]
COC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@@H]1O[C@H]1CCCCO1 COC(=O)[*:1] CC1CCC[C@@](C)(CCC2=CCC[C@@H]2O[C@H]2CCCCO2)C=1[*:1]
CCCCO[C@@H]1C[C@@H](N(C)C(=O)C2=NN(C)C(=O)CC2)C1(C)C CCC[*:1] CN1N=C(CCC1=O)C(=O)N(C)[C@@H]1C[C@@H](OC[*:1])C1(C)C
CCCCO[C@@H]1C[C@@H](N(C)C(=O)C2=NN(C)C(=O)CC2)C1(C)C CCCCO[*:1] CN1N=C(CCC1=O)C(=O)N(C)[C@@H]1C[C@H](C1(C)C)[*:1]
CCCCO[C@@H]1C[C@@H](N(C)C(=O)C2=NN(C)C(=O)CC2)C1(C)C CCCC[*:1] CN1N=C(CCC1=O)C(=O)N(C)[C@@H]1C[C@@H](O[*:1])C1(C)C
CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 c1ccc(cc1)C[*:1] CN(C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)[*:1]
CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21
Cc1cc(C(=O)N[C@H](C)c2cccnc2)sc1C#CCO OCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N[C@H](C)c1cccnc1
Cc1cc(C(=O)N[C@H](C)c2cccnc2)sc1C#CCO c1cncc(c1)[*:1] Cc1cc(sc1C#CCO)C(=O)N[C@H](C)[*:1]
COc1ccc(NS(=O)(=O)Cc2ccccc2F)c(OC)c1 Fc1ccccc1[*:1] COc1ccc(NS(=O)(=O)C[*:1])c(c1)OC
CC(=O)Nc1cccc(NC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)[C@H](NC(=O)[*:1])C(C)C
CC(=O)Nc1cccc(NC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)NC(=O)[C@H](NC(=O)c1cccc(C)c1)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)c1 CC(=O)N[*:1] Cc1cccc(c1)C(=O)N[C@@H](C(=O)Nc1cccc(c1)[*:1])C(C)C
C[NH+]1CCN([C@H](C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@H](C(=O)NCC1CCN(CC1)C(=O)C(F)(F)F)[*:1]
C[NH+]1CCN([C@H](C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c2ccccc2)CC1 FC(F)(F)[*:1] C[NH+]1CCN(CC1)[C@H](C(=O)NCC1CCN(CC1)C(=O)[*:1])c1ccccc1
CCc1noc(CN(C)CCc2cccs2)n1 c1csc(c1)[*:1] CCc1noc(CN(C)CC[*:1])n1
CC(C)c1nnc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CC(C)c1nnc([N-]S(=O)(=O)C=C[*:1])s1
CC(C)c1nnc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)s1 CC(C)[*:1] O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1nnc(s1)[*:1]
O=C(Nc1ccc2c(c1)COC2)c1[nH]ncc1Br Brc1cn[nH]c1[*:1] O=C(Nc1ccc2COCc2c1)[*:1]
C[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 Fc1ccc(cc1)[*:1] C[NH2+]Cc1cc(Cl)c(OC[*:1])c(c1)OC
O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 c1coc(c1)[*:1] O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1nc(c(s1)-c1ccco1)[*:1]
O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 c1coc(c1)[*:1] O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1nc(-c2ccco2)c(s1)[*:1]
CCCCNC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 CCCC[*:1] O=C(N[*:1])c1cccc(c1)Nc1cc(ncn1)-c1ccc(F)cc1
CCCCNC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 CCCCNC(=O)[*:1] Fc1ccc(cc1)-c1cc(ncn1)Nc1cccc(c1)[*:1]
CCCCNC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 Fc1ccc(cc1)[*:1] CCCCNC(=O)c1cccc(c1)Nc1cc(ncn1)[*:1]
CCCCNC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 CCC[*:1] O=C(NC[*:1])c1cccc(c1)Nc1cc(ncn1)-c1ccc(F)cc1
CC(=O)c1ccc(COC(=O)c2cc3ccccc3oc2=O)cc1 CC(=O)[*:1] O=C(OCc1ccc(cc1)[*:1])c1cc2ccccc2oc1=O
CC(C)(C)[C@H](NC(=O)[C@@H]1CCOC1)c1cccc(F)c1 C1C[C@H](CO1)[*:1] CC(C)(C)[C@H](NC(=O)[*:1])c1cccc(F)c1
CC(C)(C)[C@H](NC(=O)[C@@H]1CCOC1)c1cccc(F)c1 CC(C)(C)[*:1] O=C(N[C@H](c1cccc(F)c1)[*:1])[C@@H]1CCOC1
CC(=O)O[C@H]1C[C@@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@@H](OC(C)=O)[C@H]2[C@@]2(C)CCC(=O)C[C@H]12 CC(=O)O[*:1] CC(=O)O[C@H]1C[C@@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@@H]([C@H]2[C@@]2(C)CCC(=O)C[C@H]12)[*:1]
CC(=O)O[C@H]1C[C@@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@@H](OC(C)=O)[C@H]2[C@@]2(C)CCC(=O)C[C@H]12 CC(=O)[*:1] CC(=O)O[C@H]1C[C@@H]2[C@@H]3CC[C@H]([C@@]3(C)C[C@@H](OC(C)=O)[C@H]2[C@@]2(C)CCC(=O)C[C@H]12)[*:1]
CC(=O)O[C@H]1C[C@@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@@H](OC(C)=O)[C@H]2[C@@]2(C)CCC(=O)C[C@H]12 CC(=O)O[*:1] CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@H]2[C@H]2C[C@@H]([C@H]3CC(=O)CC[C@]3(C)[C@H]12)[*:1])C(C)=O
COc1ccc(CN(C(=O)CSc2ccccn2)C2CC2)cc1 c1ccc(nc1)S[*:1] COc1ccc(cc1)CN(C(=O)C[*:1])C1CC1
COc1ccc(CN(C(=O)CSc2ccccn2)C2CC2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)CN(C(=O)CS[*:1])C1CC1
COc1ccc(CN(C(=O)CSc2ccccn2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)CSc1ccccn1)[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(C)C)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)[C@H](C)[NH2+][C@H](C)c1nc2ccccc2n1[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(C)C)c1 CC(=O)N[*:1] CC(C)n1c(nc2ccccc21)[C@@H](C)[NH2+][C@@H](C)c1cccc(c1)[*:1]
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)CCS(=O)(=O)c3ccccc3)sc2c1 O=S(=O)(C[*:1])c1ccccc1 Cc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)C[*:1]
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)CCS(=O)(=O)c3ccccc3)sc2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)CCS(=O)(=O)[*:1]
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)CCS(=O)(=O)c3ccccc3)sc2c1 O=S(=O)(c1ccccc1)[*:1] Cc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)CC[*:1]
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)CCS(=O)(=O)c3ccccc3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] O=C(CCS(=O)(=O)c1ccccc1)N(C[C@@H]1CCCO1)[*:1]
CC[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 Clc1ccccc1[*:1] CC[NH2+]Cc1cc(Br)c(OC[*:1])c(c1)OC
Oc1cccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 C1CC1[*:1] Oc1cccc(c1)C[NH2+][C@H](c1ccc2OCCOc2c1)[*:1]
Oc1cccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 Oc1cccc(c1)[*:1] c1cc2OCCOc2cc1[C@@H]([NH2+]C[*:1])C1CC1
CC(=O)Nc1ccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 CC(=O)N[*:1] c1cc(ccc1CN1CCO[C@H](C1)[C@@H]1CCCO1)[*:1]
CC(=O)Nc1ccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 C1CO[C@@H](C1)[*:1] CC(=O)Nc1ccc(cc1)CN1CCO[C@@H](C1)[*:1]
Cc1noc(CCCNC(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)n1 C1CCC(C1)[*:1] Cc1noc(CCCNC(=O)N[C@@H]2CCCC[C@H]2O[*:1])n1
Cc1noc(CCCNC(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)n1 Cc1noc(CC[*:1])n1 O=C(NC[*:1])N[C@@H]1CCCC[C@H]1OC1CCCC1
Cc1noc(CCCNC(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)n1 Cc1noc(C[*:1])n1 O=C(NCC[*:1])N[C@@H]1CCCC[C@H]1OC1CCCC1
Cc1noc(CCCNC(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)n1 C1CCC(C1)O[*:1] Cc1noc(CCCNC(=O)N[C@@H]2CCCC[C@@H]2[*:1])n1
Cc1noc(CCCNC(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)n1 Cc1noc(n1)[*:1] O=C(NCCC[*:1])N[C@@H]1CCCC[C@H]1OC1CCCC1
O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccccc1I Ic1ccccc1[*:1] O=C(Nc1ccc(Cl)c(c1)-c1ccc(CO)o1)[*:1]
O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccccc1I OCc1ccc(o1)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1ccccc1I
Nc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[nH]1)C(=O)CCC3 Clc1ccc(cc1)[*:1] Nc1nc2nc3CCCC(=O)c3c(c2c(=O)[nH]1)[*:1]
O=C(Cc1cccc(F)c1F)NCCOCC1CC1 C1CC1COC[*:1] O=C(Cc1cccc(F)c1F)NC[*:1]
O=C(Cc1cccc(F)c1F)NCCOCC1CC1 C1CC1CO[*:1] O=C(Cc1cccc(F)c1F)NCC[*:1]
O=C(Cc1cccc(F)c1F)NCCOCC1CC1 C1CC1C[*:1] O=C(Cc1cccc(F)c1F)NCCO[*:1]
O=C(Cc1cccc(F)c1F)NCCOCC1CC1 C1CC1[*:1] O=C(Cc1cccc(F)c1F)NCCOC[*:1]
C[C@@H](OC(=O)CCn1nnc2ccccc2c1=O)c1ccccc1N(C)C CN(C)c1ccccc1[*:1] C[C@@H](OC(=O)CCn1nnc2ccccc2c1=O)[*:1]
C[C@@H](OC(=O)CCn1nnc2ccccc2c1=O)c1ccccc1N(C)C CN(C)[*:1] C[C@@H](OC(=O)CCn1nnc2ccccc2c1=O)c1ccccc1[*:1]
C[C@H](OC(=O)CN(C)S(=O)(=O)c1cccnc1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](OC(=O)CN(C)S(=O)(=O)c1cccnc1)[*:1]
C[C@H](OC(=O)CN(C)S(=O)(=O)c1cccnc1)C1CCCCC1 c1cncc(c1)[*:1] C[C@H](OC(=O)CN(C)S(=O)(=O)[*:1])C1CCCCC1
Cc1cnn(C[C@@H](C)NCc2nc3ccccc3s2)c1 Cc1cnn(c1)[*:1] C[C@H](C[*:1])NCc1nc2ccccc2s1
[NH3+]CCCOC(=O)N[C@H]1CCOC1 [NH3+]CCC[*:1] O=C(N[C@H]1CCOC1)O[*:1]
[NH3+]CCCOC(=O)N[C@H]1CCOC1 [NH3+]CC[*:1] O=C(N[C@H]1CCOC1)OC[*:1]
COCc1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)no1 c1ccc(cc1)C[*:1] COCc1cc(no1)C(=O)N1CCC[C@@H]1C[*:1]
COCc1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)no1 COC[*:1] O=C(c1cc(on1)[*:1])N1CCC[C@@H]1CCc1ccccc1
COCc1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)no1 c1ccc(cc1)[*:1] COCc1cc(no1)C(=O)N1CCC[C@@H]1CC[*:1]
COC[C@H](C)NC(=O)Nc1cccc(SC(F)F)c1 FC(F)S[*:1] COC[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
COC[C@H](C)NC(=O)Nc1cccc(SC(F)F)c1 FC(F)[*:1] COC[C@H](C)NC(=O)Nc1cccc(c1)S[*:1]
COC[C@H](C)NC(=O)Nc1cccc(SC(F)F)c1 COC[C@H](C)[*:1] O=C(Nc1cccc(c1)SC(F)F)N[*:1]
COC[C@H](C)NC(=O)Nc1cccc(SC(F)F)c1 COC[*:1] C[C@H](NC(=O)Nc1cccc(c1)SC(F)F)[*:1]
C[C@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccc(S(C)(=O)=O)cc1 Fc1ccc(cc1F)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccc(cc1)[*:1]
CO[C@@H](CNC(=O)[C@@H](C)NC(=O)c1cccs1)c1cccc(Cl)c1 c1csc(c1)[*:1] CO[C@@H](CNC(=O)[C@@H](C)NC(=O)[*:1])c1cccc(Cl)c1
CO[C@@H](CNC(=O)[C@@H](C)NC(=O)c1cccs1)c1cccc(Cl)c1 O=C(N[*:1])c1cccs1 CO[C@@H](CNC(=O)[C@@H](C)[*:1])c1cccc(Cl)c1
CO[C@@H](CNC(=O)[C@@H](C)NC(=O)c1cccs1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@@H](CNC(=O)[C@@H](C)NC(=O)c1cccs1)[*:1]
Cn1cc([C@H](O)CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)[C@H](O)CNc1ccc(c(n1)[*:1])[N+](=O)[O-]
Cn1cc([C@H](O)CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cn1 Cn1cc(cn1)[*:1] O=[N+]([O-])c1ccc(nc1-c1ccccc1)NC[C@@H](O)[*:1]
Cn1cc([C@H](O)CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)[C@H](O)CNc1ccc(c(n1)-c1ccccc1)[*:1]
COc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(/C=C/c2ncc(cc2[*:1])[N+](=O)[O-])cc1
COc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(/C=C/c2ncc(cc2C(=O)[O-])[*:1])cc1
Cc1ccc2nc(S[C@@H](C)C(=O)Nc3nccs3)[nH]c2c1 c1csc(n1)[*:1] Cc1ccc2nc([nH]c2c1)S[C@@H](C)C(=O)N[*:1]
C[C@@H](CCCO)[NH2+]C[C@@H]1COc2ccccc21 OCCC[*:1] C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)[*:1]
C[C@@H](CCCO)[NH2+]C[C@@H]1COc2ccccc21 OCC[*:1] C[C@@H](C[*:1])[NH2+]C[C@@H]1COc2ccccc21
N[C@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F N[C@H](C(F)(F)F)[*:1] Clc1ccc(cc1Cl)COc1ccc(cc1)[*:1]
N[C@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F FC(F)(F)[*:1] N[C@H](c1ccc(cc1)OCc1ccc(Cl)c(Cl)c1)[*:1]
COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1CCN(C(=O)c2cc(C)on2)CC1 Cc1cc(no1)[*:1] COc1ccc(cc1N1CCN(CC1)C(=O)[*:1])S(=O)(=O)NC[C@@H]1CCCO1
O=C(NCc1cccnc1-n1cccn1)N[C@@H](CCO)c1cccs1 c1cnn(c1)[*:1] O=C(NCc1cccnc1[*:1])N[C@@H](CCO)c1cccs1
O=C(NCc1cccnc1-n1cccn1)N[C@@H](CCO)c1cccs1 OCC[*:1] O=C(NCc1cccnc1-n1cccn1)N[C@@H](c1cccs1)[*:1]
O=C(NCc1cccnc1-n1cccn1)N[C@@H](CCO)c1cccs1 c1csc(c1)[*:1] O=C(NCc1cccnc1-n1cccn1)N[C@@H](CCO)[*:1]
Cc1ccc(C[NH2+]C(C)(C)CO)c(C)c1 CC(C)(CO)[*:1] Cc1ccc(C[NH2+][*:1])c(C)c1
O=C(COc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccc2ccccc2n1 Clc1ccc(O[*:1])c(Cl)c1 O=C(C[*:1])NCCNC(=O)c1ccc2ccccc2n1
O=C(COc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccc2ccccc2n1 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])NCCNC(=O)c1ccc2ccccc2n1
Cc1cc(F)c([C@@](C)(CO)[NH2+]C2CCCCC2)cc1F C1CCC(CC1)[*:1] Cc1cc(F)c(cc1F)[C@@](C)(CO)[NH2+][*:1]
N#CC(C#N)=CNc1cccc(-c2ccc3c(c2)CCO3)c1 N#CC(C#N)=CN[*:1] c1cc(cc(c1)[*:1])-c1ccc2OCCc2c1
N#CC(C#N)=CNc1cccc(-c2ccc3c(c2)CCO3)c1 N#CC(C#N)=C[*:1] c1cc(cc(c1)-c1ccc2OCCc2c1)N[*:1]
CCC(CC)(CNC(=O)N1CCC(NC(C)=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)(CNC(=O)N1CCC(CC1)NC(C)=O)[*:1]
CCC(CC)(CNC(=O)N1CCC(NC(C)=O)CC1)c1ccccc1 CC(=O)N[*:1] CCC(CC)(CNC(=O)N1CCC(CC1)[*:1])c1ccccc1
O=C(CCC(F)(F)F)Nc1ccc(Cn2cccn2)cc1 FC(F)(F)C[*:1] O=C(C[*:1])Nc1ccc(cc1)Cn1cccn1
O=C(CCC(F)(F)F)Nc1ccc(Cn2cccn2)cc1 FC(F)(F)CC[*:1] O=C(Nc1ccc(cc1)Cn1cccn1)[*:1]
O=C(CCC(F)(F)F)Nc1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] O=C(CCC(F)(F)F)Nc1ccc(cc1)C[*:1]
O=C(CCC(F)(F)F)Nc1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] O=C(CCC(F)(F)F)Nc1ccc(cc1)[*:1]
O=C(CCC(F)(F)F)Nc1ccc(Cn2cccn2)cc1 FC(F)(F)[*:1] O=C(CC[*:1])Nc1ccc(cc1)Cn1cccn1
Cc1c(-c2ccnc(Nc3cccc(Cl)c3)n2)nnc2nc(-c3ccco3)nn12 Clc1cccc(c1)N[*:1] Cc1c(nnc2nc(nn12)-c1ccco1)-c1ccnc(n1)[*:1]
Cc1c(-c2ccnc(Nc3cccc(Cl)c3)n2)nnc2nc(-c3ccco3)nn12 c1coc(c1)[*:1] Cc1c(nnc2nc(nn12)[*:1])-c1ccnc(n1)Nc1cccc(Cl)c1
Cc1c(-c2ccnc(Nc3cccc(Cl)c3)n2)nnc2nc(-c3ccco3)nn12 Clc1cccc(c1)[*:1] Cc1c(nnc2nc(nn12)-c1ccco1)-c1ccnc(n1)N[*:1]
C/C(=C/c1cc(Br)ccc1O)[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=Cc1cc(Br)ccc1O)[*:1]
O=C(c1c[nH]nc1C1CCCCC1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 OCc1ccc(cc1)[*:1] O=C(c1c[nH]nc1C1CCCCC1)N1CC[C@H](C1)C[*:1]
O=C(c1c[nH]nc1C1CCCCC1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 OCc1ccc(cc1)C[*:1] O=C(c1c[nH]nc1C1CCCCC1)N1CC[C@@H](C1)[*:1]
O=C(c1c[nH]nc1C1CCCCC1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 C1CCC(CC1)[*:1] O=C(c1c[nH]nc1[*:1])N1CC[C@@H](Cc2ccc(cc2)CO)C1
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)CCCCl ClCC[*:1] Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C[*:1]
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)CCCCl ClCCC[*:1] Cc1noc(C)c1S(=O)(=O)N[C@@H](C)[*:1]
O=C(NNc1cccnc1Cl)c1nc(C2CC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NNc1cccnc1Cl)c1nc(C2CC2)n(n1)[*:1]
O=C(NNc1cccnc1Cl)c1nc(C2CC2)n(-c2ccccc2)n1 C1CC1[*:1] O=C(NNc1cccnc1Cl)c1nc(n(n1)-c1ccccc1)[*:1]
O=C(NNc1cccnc1Cl)c1nc(C2CC2)n(-c2ccccc2)n1 Clc1ncccc1[*:1] O=C(NN[*:1])c1nc(C2CC2)n(n1)-c1ccccc1
Cc1cccc(NC(=O)NCc2ccc([N+]3=CCCC3)cc2)c1Cl Cc1cccc(c1Cl)[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)N[*:1]
Cc1cnc2c(c1)nc(CCCl)n2Cc1cnc(C)cn1 Cc1cnc(cn1)[*:1] Cc1cnc2c(c1)nc(CCCl)n2C[*:1]
Cc1cnc2c(c1)nc(CCCl)n2Cc1cnc(C)cn1 ClCC[*:1] Cc1cnc2c(c1)nc(n2Cc1cnc(C)cn1)[*:1]
O=C(COc1ccccc1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 c1ccc(cc1)OC[*:1] O=C(NC(=S)N1CCN(CC1)c1c(Cl)cccc1[N+](=O)[O-])[*:1]
O=C(COc1ccccc1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(COc1ccccc1)NC(=S)N1CCN(CC1)c1c(Cl)cccc1[*:1]
O=C(COc1ccccc1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])NC(=S)N1CCN(CC1)c1c(Cl)cccc1[N+](=O)[O-]
O=C(COc1ccccc1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])NC(=S)N1CCN(CC1)c1c(Cl)cccc1[N+](=O)[O-]
C[C@H](CNC(=O)N1CCCCC[C@H]1c1ccncc1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)N1CCCCC[C@H]1c1ccncc1)[*:1]
C[C@H](CNC(=O)N1CCCCC[C@H]1c1ccncc1)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] O=C(NC[*:1])N1CCCCC[C@H]1c1ccncc1
C[C@H](CNC(=O)N1CCCCC[C@H]1c1ccncc1)N1CCOCC1 c1cc(ccn1)[*:1] C[C@H](CNC(=O)N1CCCCC[C@@H]1[*:1])N1CCOCC1
Cc1ccsc1[C@@]1(C(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)CC1(C)C Cc1ccsc1[*:1] CC1(C)C[C@@]1(C(=O)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1)[*:1]
COC(=O)c1c(NC(=O)CS(=O)(=O)c2ccccc2)sc2c1CCCCC2 COC(=O)[*:1] O=C(CS(=O)(=O)c1ccccc1)Nc1sc2CCCCCc2c1[*:1]
COC(=O)c1c(NC(=O)CS(=O)(=O)c2ccccc2)sc2c1CCCCC2 O=S(=O)(c1ccccc1)[*:1] COC(=O)c1c(NC(=O)C[*:1])sc2CCCCCc21
COC(=O)c1c(NC(=O)CS(=O)(=O)c2ccccc2)sc2c1CCCCC2 c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)CS(=O)(=O)[*:1])sc2CCCCCc21
CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(NC2CC2)s1 C1CC1[*:1] CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(N[*:1])s1
CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(NC2CC2)s1 CCC(C)(C)[*:1] C[C@H](Sc1nnc(NC2CC2)s1)C(=O)N[*:1]
CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(NC2CC2)s1 C1CC1N[*:1] CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(s1)[*:1]
Cc1ccccc1[C@@H]1CCCN1C(=O)/C=C/c1ccc([N-]S(C)(=O)=O)cc1 Cc1ccccc1[*:1] CS(=O)(=O)[N-]c1ccc(/C=C/C(=O)N2CCC[C@H]2[*:1])cc1
O=C([O-])CCCCc1nc(C[C@H]2CCCO2)no1 O=C([O-])C[*:1] C1CO[C@H](C1)Cc1noc(CCC[*:1])n1
O=C([O-])CCCCc1nc(C[C@H]2CCCO2)no1 C1CO[C@H](C1)C[*:1] O=C([O-])CCCCc1nc(no1)[*:1]
O=C([O-])CCCCc1nc(C[C@H]2CCCO2)no1 O=C([O-])[*:1] C(CC[*:1])Cc1nc(C[C@H]2CCCO2)no1
O=C([O-])CCCCc1nc(C[C@H]2CCCO2)no1 C1CO[C@H](C1)[*:1] O=C([O-])CCCCc1nc(C[*:1])no1
O=C([O-])CCCCc1nc(C[C@H]2CCCO2)no1 O=C([O-])CC[*:1] C1CO[C@H](C1)Cc1noc(CC[*:1])n1
O=C([O-])CCCCc1nc(C[C@H]2CCCO2)no1 O=C([O-])CCC[*:1] C1CO[C@H](C1)Cc1noc(C[*:1])n1
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CCOC2CCOCC2)CC1 C1CC(CCO1)O[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)CC[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CCOC2CCOCC2)CC1 C1CC(CCO1)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)CCO[*:1]
CC(C)[C@@H](CO)Nc1ncnc(Cl)c1N CC(C)[*:1] Nc1c(Cl)ncnc1N[C@H](CO)[*:1]
COc1ccc(C(=O)N[C@@H](C)c2cc(C)oc2C)c(OC)c1OC Cc1cc(c(C)o1)[*:1] COc1ccc(C(=O)N[C@@H](C)[*:1])c(OC)c1OC
COCc1ccccc1S(=O)(=O)N(C)Cc1nc2ccccc2n1C COC[*:1] CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccccc1[*:1]
COc1cc(Cl)c(C)cc1N1C(=O)C2=C(c3ccc(Cl)cc3)NO[C@H]2C1=O Clc1ccc(cc1)[*:1] COc1cc(Cl)c(C)cc1N1C(=O)C2=C(NO[C@H]2C1=O)[*:1]
O=C1/C(=C\c2ccncc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 c1ccc(cc1)C[*:1] O=C1/C(=C\c2ccncc2)N(S(=O)(=O)c2ccccc21)[*:1]
O=C1/C(=C\c2ccncc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 c1ccc(cc1)[*:1] O=C1/C(=C\c2ccncc2)N(C[*:1])S(=O)(=O)c2ccccc21
O=C1/C(=C\c2ccncc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 c1cc(ccn1)[*:1] O=C1C(=C[*:1])N(Cc2ccccc2)S(=O)(=O)c2ccccc21
CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1csc(n1)[*:1]
CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1csc(-c2ccccc2)n1 CC(=O)N[*:1] Cc1sc(c(C(=O)OCc2csc(n2)-c2ccccc2)c1C)[*:1]
COC(=O)c1c(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)CSc2nnc(o2)-c2ccc3OCOc3c2)c(c1C)[*:1]
COC(=O)c1c(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)sc(C)c1C c1cc2OCOc2cc1[*:1] COC(=O)c1c(NC(=O)CSc2nnc(o2)[*:1])sc(C)c1C
CCC[C@H]1C[C@@]2(CC[NH2+]C[C@@H]2CCC)CCO1 CCC[*:1] CCC[C@H]1C[C@@]2(CC[NH2+]C[C@H]2[*:1])CCO1
CCC[C@H]1C[C@@]2(CC[NH2+]C[C@@H]2CCC)CCO1 CCC[*:1] CCC[C@H]1C[NH2+]CC[C@]12CCO[C@H](C2)[*:1]
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1=O Clc1ccccc1C[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccnn2[*:1])C1=O)c1ccccc1
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1=O Clc1ccccc1[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccnn2C[*:1])C1=O)c1ccccc1
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1=O)[*:1]
O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCCO1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)Sc1ccc(cc1)[*:1])[C@H]1CCCO1
O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCCO1 O=C(N[*:1])[C@H]1CCCO1 O=[N+]([O-])c1ccc(cc1)Sc1ccc(cc1)[*:1]
CC(=O)N1CCCN(Cc2ccc(C)cc2)c2ccccc21 Cc1ccc(cc1)[*:1] CC(=O)N1CCCN(C[*:1])c2ccccc21
CCSCC[C@@H](C)NC(=O)N1CCN(Cc2cc(C)on2)CC1 CCSC[*:1] Cc1cc(CN2CCN(CC2)C(=O)N[C@H](C)C[*:1])no1
CCSCC[C@@H](C)NC(=O)N1CCN(Cc2cc(C)on2)CC1 CCS[*:1] Cc1cc(CN2CCN(CC2)C(=O)N[C@H](C)CC[*:1])no1
CCSCC[C@@H](C)NC(=O)N1CCN(Cc2cc(C)on2)CC1 Cc1cc(C[*:1])no1 CCSCC[C@@H](C)NC(=O)N1CCN(CC1)[*:1]
CCSCC[C@@H](C)NC(=O)N1CCN(Cc2cc(C)on2)CC1 CCSCC[*:1] Cc1cc(CN2CCN(CC2)C(=O)N[C@H](C)[*:1])no1
CCSCC[C@@H](C)NC(=O)N1CCN(Cc2cc(C)on2)CC1 Cc1cc(no1)[*:1] CCSCC[C@@H](C)NC(=O)N1CCN(CC1)C[*:1]
CC(=O)c1cccc(S(=O)(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)c1 CS(=O)(=O)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)[N-]c1nc2ccc(cc2s1)[*:1]
CC(=O)c1cccc(S(=O)(=O)[N-]c2nc3ccc(S(C)(=O)=O)cc3s2)c1 CC(=O)[*:1] CS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)c3cccc(c3)[*:1])sc2c1
CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)CC(C)(C)O CC(C)(O)[*:1] CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)C[*:1]
CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)CC(C)(C)O c1csc(c1)[*:1] CC[C@@H]([NH3+])[C@@H](N(C)CC(C)(C)O)[*:1]
CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)CC(C)(C)O CC(C)(O)C[*:1] CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)[*:1]
CC[C@@H](NC(=O)C(=O)Nc1ccc(C)c(NC(C)=O)c1)c1cccc(Cl)c1 CC(=O)N[*:1] CC[C@@H](NC(=O)C(=O)Nc1ccc(C)c(c1)[*:1])c1cccc(Cl)c1
CC[C@@H](NC(=O)C(=O)Nc1ccc(C)c(NC(C)=O)c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)C(=O)Nc1ccc(C)c(c1)NC(C)=O)[*:1]
O=C(c1cc(Br)ccc1Cl)N1CCC[NH+](CC2CC2)CC1 C1CC1[*:1] O=C(c1cc(Br)ccc1Cl)N1CCC[NH+](CC1)C[*:1]
O=C(c1cc(Br)ccc1Cl)N1CCC[NH+](CC2CC2)CC1 C1CC1C[*:1] O=C(c1cc(Br)ccc1Cl)N1CCC[NH+](CC1)[*:1]
CC(=O)Nc1c(C)cc(Nc2ncnc3ccc(C)cc23)cc1C CC(=O)N[*:1] Cc1ccc2ncnc(Nc3cc(C)c(c(C)c3)[*:1])c2c1
CCNC(=O)c1cccc2c1CCN2C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCNC(=O)c1cccc2c1CCN2C(=O)[*:1]
CCNC(=O)c1cccc2c1CCN2C(=O)c1ccc(F)cc1 CCNC(=O)[*:1] O=C(c1ccc(F)cc1)N1CCc2c1cccc2[*:1]
O=C(OCc1nnsc1Cl)[C@@H]1COc2ccc(Cl)cc2C1 Clc1snnc1C[*:1] O=C(O[*:1])[C@@H]1COc2ccc(Cl)cc2C1
O=C(OCc1nnsc1Cl)[C@@H]1COc2ccc(Cl)cc2C1 Clc1snnc1[*:1] O=C(OC[*:1])[C@@H]1COc2ccc(Cl)cc2C1
CC[C@@H](Br)[C@H](C)c1ccc(C)cc1C CC[C@@H](Br)[*:1] Cc1ccc(c(C)c1)[C@@H](C)[*:1]
CC(C)n1cc(NCc2cc(F)ccc2Br)cn1 CC(C)[*:1] Fc1ccc(Br)c(c1)CNc1cnn(c1)[*:1]
C=CCN(CC=C)C(=O)CN1CCN(c2ccc3c(c2)OCO3)C1=O C=CC[*:1] C=CCN(C(=O)CN1CCN(C1=O)c1ccc2OCOc2c1)[*:1]
CSC[C@H](C)/C([O-])=N/S(=O)(=O)Cc1ccccc1 CSC[*:1] C[C@H](/C([O-])=N/S(=O)(=O)Cc1ccccc1)[*:1]
CSC[C@H](C)/C([O-])=N/S(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CSC[C@H](C)/C([O-])=N/S(=O)(=O)C[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC COc1ccc(cc1OC)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1[*:1])OC(=O)c1cccc(Cl)c1
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC O=C(O[*:1])c1cccc(Cl)c1 COc1ccc(cc1OC)[C@@H]1C(C#N)=C(N)Oc2cc(ccc21)[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC Clc1cccc(c1)[*:1] COc1ccc(cc1OC)[C@@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)[*:1]
Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1nc2ccccc2c(=O)[nH]1
CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1 c1ccc(cc1)C[*:1] CS(=O)(=O)N(CC(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)N(CC(=O)Nc1cccc(c1)C(F)(F)F)C[*:1]
CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1 FC(F)(F)[*:1] CS(=O)(=O)N(CC(=O)Nc1cccc(c1)[*:1])Cc1ccccc1
Cn1ncc(C(=O)N[C@@H](CC[NH+](C)C)c2ccc(F)cc2)c1Cl Fc1ccc(cc1)[*:1] Cn1ncc(C(=O)N[C@@H](CC[NH+](C)C)[*:1])c1Cl
Cn1ncc(C(=O)N[C@@H](CC[NH+](C)C)c2ccc(F)cc2)c1Cl Cn1ncc(c1Cl)[*:1] C[NH+](C)CC[C@H](NC(=O)[*:1])c1ccc(F)cc1
COc1ccc(S(=O)(=O)NC[C@](C)(O)C2CC2)cc1F C1CC1[*:1] COc1ccc(cc1F)S(=O)(=O)NC[C@](C)(O)[*:1]
CC[C@H](NC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)c1c(C)nn(C)c1C CC(C)[*:1] CC[C@H](NC(=O)N[C@@H](c1ccc(cc1)OC)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)N[C@@H](c1ccc(cc1)OC)C(C)C)[*:1]
CC[C@H](NC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)c1c(C)nn(C)c1C COc1ccc(cc1)[*:1] CC[C@H](NC(=O)N[C@@H](C(C)C)[*:1])c1c(C)nn(C)c1C
O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)C1 c1cncc(c1)C[*:1] O=C(c1cccc2ccccc12)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)[*:1]
O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)C1 c1ccc2c(cccc2c1)[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N1CCN(CC1)Cc1cccnc1
O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)C1 c1cncc(c1)[*:1] O=C(c1cccc2ccccc12)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)C[*:1]
CC(C)(C)[S@](=O)CCNC(=O)N[C@@H]1CC=CCC1 CC(C)(C)[S@](=O)[*:1] O=C(NCC[*:1])N[C@@H]1CC=CCC1
CC(C)(C)[S@](=O)CCNC(=O)N[C@@H]1CC=CCC1 CC(C)(C)[*:1] O=C(NCC[S@@](=O)[*:1])N[C@@H]1CC=CCC1
O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCOCC1 O=C(N1CCOCC1)[*:1] FC(F)(F)[C@H]1C[C@H](Nc2c(Cl)c(nn21)[*:1])c1ccc(Br)cc1
O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCOCC1 FC(F)(F)[*:1] O=C(c1nn2c(N[C@@H](C[C@H]2[*:1])c2ccc(Br)cc2)c1Cl)N1CCOCC1
O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCOCC1 Brc1ccc(cc1)[*:1] O=C(c1nn2c(N[C@H](C[C@@H]2C(F)(F)F)[*:1])c1Cl)N1CCOCC1
NC(=O)[C@H]1COCCN1CC(=O)NC(C1CC1)C1CC1 NC(=O)[*:1] O=C(CN1CCOC[C@@H]1[*:1])NC(C1CC1)C1CC1
NC(=O)[C@H]1COCCN1CC(=O)NC(C1CC1)C1CC1 C1CC1[*:1] NC(=O)[C@H]1COCCN1CC(=O)NC(C1CC1)[*:1]
CO[C@H](CNC(=O)Nc1cnn(C(C)(C)C)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)Nc1cnn(c1)C(C)(C)C)[*:1]
CO[C@H](CNC(=O)Nc1cnn(C(C)(C)C)c1)c1ccc(F)cc1 CC(C)(C)[*:1] CO[C@H](CNC(=O)Nc1cnn(c1)[*:1])c1ccc(F)cc1
CCOc1ccc([C@H](C)NC(=O)[C@H](NC(C)=O)C(C)C)cc1 CCO[*:1] CC(=O)N[C@@H](C(=O)N[C@@H](C)c1ccc(cc1)[*:1])C(C)C
CCOc1ccc([C@H](C)NC(=O)[C@H](NC(C)=O)C(C)C)cc1 CC(C)[*:1] CCOc1ccc(cc1)[C@H](C)NC(=O)[C@H](NC(C)=O)[*:1]
CCOc1ccc([C@H](C)NC(=O)[C@H](NC(C)=O)C(C)C)cc1 CC(=O)N[*:1] CCOc1ccc(cc1)[C@H](C)NC(=O)[C@H](C(C)C)[*:1]
CC(C)(C#N)CCCNc1ccccc1OC1CCCC1 CC(C)(C#N)CC[*:1] c1ccc(OC2CCCC2)c(c1)NC[*:1]
CC(C)(C#N)CCCNc1ccccc1OC1CCCC1 C1CCC(C1)O[*:1] CC(C)(C#N)CCCNc1ccccc1[*:1]
CC(C)(C#N)CCCNc1ccccc1OC1CCCC1 CC(C)(C#N)C[*:1] c1ccc(OC2CCCC2)c(c1)NCC[*:1]
CC(C)(C#N)CCCNc1ccccc1OC1CCCC1 CC(C)(C#N)[*:1] c1ccc(OC2CCCC2)c(c1)NCCC[*:1]
CC(C)(C#N)CCCNc1ccccc1OC1CCCC1 C1CCC(C1)[*:1] CC(C)(C#N)CCCNc1ccccc1O[*:1]
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccncc1 N#Cc1ccccc1[*:1] C[C@H](NC(=O)Nc1ccc(cc1)O[*:1])c1ccncc1
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccncc1 N#Cc1ccccc1O[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccncc1
C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)Oc1ccccc1C#N)[*:1]
O=C([O-])[C@]1(CCc2cccnc2)CCC[NH2+]C1 O=C([O-])[*:1] c1cncc(c1)CC[C@@]1(CCC[NH2+]C1)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccncc1 c1ccc(cc1)C[*:1] CCC[C@@H](NC(=O)/C=C/c1ccncc1)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccncc1 c1ccc(cc1)[*:1] CCC[C@@H](C[*:1])NC(=O)/C=C/c1ccncc1
CCC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccncc1 c1cc(ccn1)[*:1] CCC[C@@H](Cc1ccccc1)NC(=O)C=C[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccncc1 CCC[*:1] O=C(/C=C/c1ccncc1)N[C@H](Cc1ccccc1)[*:1]
O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] O=C(Nc1ccc2c(c1)CCCN2C(=O)[*:1])c1cc(n[nH]1)-c1ccccc1
O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1cc(n[nH]1)[*:1]
Cc1ccc(C)c(OC[C@@H](O)CNn2cccc2)c1 c1ccn(c1)N[*:1] Cc1ccc(C)c(c1)OC[C@@H](O)C[*:1]
CC[NH2+][C@H](Cc1nccn1C)[C@]1(N(C)C)CCC[C@H](C)C1 Cn1ccnc1[*:1] CC[NH2+][C@H](C[*:1])[C@@]1(CCC[C@H](C)C1)N(C)C
CC[NH2+][C@H](Cc1nccn1C)[C@]1(N(C)C)CCC[C@H](C)C1 CN(C)[*:1] CC[NH2+][C@H](Cc1nccn1C)[C@@]1(CCC[C@H](C)C1)[*:1]
CC[NH2+][C@H](Cc1nccn1C)[C@]1(N(C)C)CCC[C@H](C)C1 Cn1ccnc1C[*:1] CC[NH2+][C@H]([C@@]1(CCC[C@H](C)C1)N(C)C)[*:1]
Cc1cc(NCCCc2c(C)n[nH]c2C)n2nc(C)cc2n1 Cc1n[nH]c(C)c1[*:1] Cc1cc(NCCC[*:1])n2nc(C)cc2n1
C[C@@H](CCCO)NC(=O)c1cccc(Cl)n1 OCCC[*:1] C[C@@H](NC(=O)c1cccc(Cl)n1)[*:1]
C[C@@H](CCCO)NC(=O)c1cccc(Cl)n1 OCC[*:1] C[C@@H](C[*:1])NC(=O)c1cccc(Cl)n1
CCCN[C@]1(C#N)CC[C@@H](Sc2nc(C)c(C)c(C)n2)C1 CCC[*:1] Cc1nc(nc(C)c1C)S[C@@H]1CC[C@](C#N)(C1)N[*:1]
CCCN[C@]1(C#N)CC[C@@H](Sc2nc(C)c(C)c(C)n2)C1 CCCN[*:1] Cc1nc(nc(C)c1C)S[C@@H]1CC[C@@](C#N)(C1)[*:1]
CN1[C@@H](Cc2ccc(-c3cccc(Cl)c3)o2)[C@H](O)c2ccccc2S1(=O)=O Clc1cccc(c1)[*:1] CN1[C@@H](Cc2ccc(o2)[*:1])[C@H](O)c2ccccc2S1(=O)=O
CC(C)n1cc(NC(=O)[C@@H]2CCO[C@H]2C)cn1 CC(C)[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1cnn(c1)[*:1]
O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 c1cc2OCCOc2cc1[*:1] O=C(c1ccc(F)cc1)N1CCC(CC1)C(=O)N1CCC[C@@H]1[*:1]
O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 Fc1ccc(cc1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
Cc1ccc(CNC(=O)c2n[nH]c3c2COc2ccccc2-3)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1n[nH]c2-c3ccccc3OCc12
Cc1ccc(CNC(=O)c2n[nH]c3c2COc2ccccc2-3)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])c1n[nH]c2-c3ccccc3OCc12
Cc1ccc2nc(CSCC(=O)NCCc3cccc(F)c3)cn2c1 Fc1cccc(c1)C[*:1] Cc1ccc2nc(cn2c1)CSCC(=O)NC[*:1]
Cc1ccc2nc(CSCC(=O)NCCc3cccc(F)c3)cn2c1 Fc1cccc(c1)[*:1] Cc1ccc2nc(cn2c1)CSCC(=O)NCC[*:1]
COc1cc(C)cc2c1[C@@H](C)[C@@H](CC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)[O-])C(=O)O2 O=C([O-])[*:1] COc1cc(C)cc2OC(=O)[C@H](CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)[*:1])[C@H](C)c12
COc1cc(C)cc2c1[C@@H](C)[C@@H](CC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)[O-])C(=O)O2 c1ccc2c(c[nH]c2c1)[*:1] COc1cc(C)cc2OC(=O)[C@H](CC(=O)N[C@@H](C[*:1])C(=O)[O-])[C@H](C)c12
COc1cc(C)cc2c1[C@@H](C)[C@@H](CC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)[O-])C(=O)O2 c1ccc2c(c[nH]c2c1)C[*:1] COc1cc(C)cc2OC(=O)[C@H](CC(=O)N[C@@H](C(=O)[O-])[*:1])[C@H](C)c12
CCCn1c(NC(=O)c2cc(-c3cccs3)on2)nc2ccccc21 CCC[*:1] O=C(Nc1nc2ccccc2n1[*:1])c1cc(on1)-c1cccs1
CCCn1c(NC(=O)c2cc(-c3cccs3)on2)nc2ccccc21 c1csc(c1)[*:1] CCCn1c(nc2ccccc21)NC(=O)c1cc(on1)[*:1]
S=c1nc(C2CCCCC2)[nH]c2sc3c(c12)CCCC3 C1CCC(CC1)[*:1] S=c1nc([nH]c2sc3CCCCc3c12)[*:1]
CCc1n[nH]c(SCC(=O)N2CCC[C@H](NC(C)=O)C2)n1 CC(=O)N[*:1] CCc1n[nH]c(n1)SCC(=O)N1CCC[C@H](C1)[*:1]
CCc1n[nH]c(SCC(=O)N2CCC[C@H](NC(C)=O)C2)n1 CCc1n[nH]c(n1)[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)CS[*:1]
CN(CC1CCN(C(=O)C[C@H]2C=CCC2)CC1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(CC1CCN(CC1)C(=O)C[C@H]1C=CCC1)C(=O)O[*:1]
COC(=O)[C@H](NC(=O)c1c[nH]c(=O)c(Cl)c1)c1ccc(F)cc1F COC(=O)[*:1] O=C(N[C@H](c1ccc(F)cc1F)[*:1])c1c[nH]c(=O)c(Cl)c1
COC(=O)[C@H](NC(=O)c1c[nH]c(=O)c(Cl)c1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)[C@H](NC(=O)c1c[nH]c(=O)c(Cl)c1)[*:1]
COC(=O)[C@H](NC(=O)c1c[nH]c(=O)c(Cl)c1)c1ccc(F)cc1F O=c1[nH]cc(cc1Cl)[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(F)cc1F
C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O c1cncc(c1)[*:1] C/C(NC[*:1])=C1/C(=O)NC(=O)N(C1=O)C1CCCCC1
C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O c1cncc(c1)CN[*:1] CC(=C1C(=O)NC(=O)N(C1=O)C1CCCCC1)[*:1]
C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O c1cncc(c1)C[*:1] C/C(N[*:1])=C1/C(=O)NC(=O)N(C1=O)C1CCCCC1
C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O C1CCC(CC1)[*:1] C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(C1=O)[*:1]
CC[C@@H](C)n1ccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)n1 CC[C@@H](C)[*:1] c1cn(nc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1)[*:1]
CC(C)[NH+]1CCc2c(cc(C(=O)[O-])n2C)C1 CC(C)[*:1] Cn1c(cc2C[NH+](CCc21)[*:1])C(=O)[O-]
CC(C)[NH+]1CCc2c(cc(C(=O)[O-])n2C)C1 O=C([O-])[*:1] CC(C)[NH+]1CCc2c(cc(n2C)[*:1])C1
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1[*:1]
Cc1ccccc1NC(=O)c1cc2cn(C3CC3)cc2s1 C1CC1[*:1] Cc1ccccc1NC(=O)c1cc2cn(cc2s1)[*:1]
Cc1ccccc1NC(=O)c1cc2cn(C3CC3)cc2s1 Cc1ccccc1[*:1] O=C(N[*:1])c1cc2cn(cc2s1)C1CC1
COc1ccc(CS[C@@H](C)C(C)=O)c(Cl)c1 CC(=O)[C@H](C)[*:1] COc1ccc(CS[*:1])c(Cl)c1
COc1ccc(CS[C@@H](C)C(C)=O)c(Cl)c1 CC(=O)[*:1] COc1ccc(CS[C@@H](C)[*:1])c(Cl)c1
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CSc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)CS[*:1]
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CSc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)S[*:1] C[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)C[*:1]
CC[C@H]1CCCCN1C(=O)CNc1cccc(NC(=O)OC)c1 COC(=O)N[*:1] CC[C@H]1CCCCN1C(=O)CNc1cccc(c1)[*:1]
CCOC(COc1ccc(Cl)c(Cl)c1)OCC CCO[*:1] CCOC(COc1ccc(Cl)c(Cl)c1)[*:1]
CC[NH2+][C@@]1(CO)CCC[C@H]1CCN(C)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC[NH2+][C@@]1(CO)CCC[C@H]1CCN(C)[*:1]
COc1ccc(CNC(=O)NCCc2ncc(C)s2)cc1NC(C)=O Cc1cnc(CC[*:1])s1 COc1ccc(cc1NC(C)=O)CNC(=O)N[*:1]
COc1ccc(CNC(=O)NCCc2ncc(C)s2)cc1NC(C)=O Cc1cnc(s1)[*:1] COc1ccc(cc1NC(C)=O)CNC(=O)NCC[*:1]
COc1ccc(CNC(=O)NCCc2ncc(C)s2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])CNC(=O)NCCc1ncc(C)s1
COc1ccc(CNC(=O)NCCc2ncc(C)s2)cc1NC(C)=O Cc1cnc(C[*:1])s1 COc1ccc(cc1NC(C)=O)CNC(=O)NC[*:1]
C[NH+](C)[C@H]1CC[C@H](NS(=O)(=O)CCS(C)(=O)=O)C1 CS(=O)(=O)CC[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NS(=O)(=O)[*:1]
C[NH+](C)[C@H]1CC[C@H](NS(=O)(=O)CCS(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NS(=O)(=O)CC[*:1]
C[NH+](C)[C@H]1CC[C@H](NS(=O)(=O)CCS(C)(=O)=O)C1 CS(=O)(=O)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NS(=O)(=O)C[*:1]
COc1ccc(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1cnc2sc3CCCCc3n2c1=O
COc1ccc2oc(C(=O)Nc3ncccc3O)c(C)c2c1 Oc1cccnc1[*:1] COc1ccc2oc(C(=O)N[*:1])c(C)c2c1
N#CCNC(=O)COc1ccc(C[NH2+]C2CC2)nc1 C1CC1[*:1] N#CCNC(=O)COc1ccc(C[NH2+][*:1])nc1
N#CCNC(=O)COc1ccc(C[NH2+]C2CC2)nc1 N#CCNC(=O)[*:1] c1cc(C[NH2+]C2CC2)ncc1OC[*:1]
N#CCNC(=O)COc1ccc(C[NH2+]C2CC2)nc1 N#CC[*:1] O=C(COc1ccc(C[NH2+]C2CC2)nc1)N[*:1]
O=C1OCCN1CCNc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 O=C1OCCN1CC[*:1] Fc1ccc(cc1)Cc1noc(n1)-c1ccc(nc1)N[*:1]
O=C1OCCN1CCNc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 O=C1OCCN1CCN[*:1] Fc1ccc(cc1)Cc1noc(n1)-c1ccc(nc1)[*:1]
O=C1OCCN1CCNc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 Fc1ccc(cc1)C[*:1] O=C1OCCN1CCNc1ccc(cn1)-c1nc(no1)[*:1]
O=C1OCCN1CCNc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 Fc1ccc(cc1)[*:1] O=C1OCCN1CCNc1ccc(cn1)-c1nc(C[*:1])no1
O=C1OCCN1CCNc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 O=C1OCCN1[*:1] Fc1ccc(cc1)Cc1noc(n1)-c1ccc(nc1)NCC[*:1]
O=C1OCCN1CCNc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 O=C1OCCN1C[*:1] Fc1ccc(cc1)Cc1noc(n1)-c1ccc(nc1)NC[*:1]
Cc1cccc(Oc2ccc3[nH]c(C(=O)NC[C@H]4CCCO4)cc3c2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@H]1CCCO1)c1cc2cc(ccc2[nH]1)O[*:1]
Cc1cccc(Oc2ccc3[nH]c(C(=O)NC[C@H]4CCCO4)cc3c2)c1 Cc1cccc(c1)O[*:1] O=C(NC[C@H]1CCCO1)c1cc2cc(ccc2[nH]1)[*:1]
CC[C@@H](NC(=O)NC[C@@](C)(O)c1ccsc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)NC[C@@](C)(O)c1ccsc1)[*:1]
CC[C@@H](NC(=O)NC[C@@](C)(O)c1ccsc1)c1cccc(Cl)c1 c1cc(cs1)[*:1] CC[C@@H](NC(=O)NC[C@@](C)(O)[*:1])c1cccc(Cl)c1
CSCc1ccnc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CSCc1ccnc(c1)N[C@H]1CCO[C@@H]1[*:1]
CSCc1ccnc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 CSC[*:1] Clc1ccc(cc1)[C@@H]1OCC[C@@H]1Nc1cc(ccn1)[*:1]
C#Cc1cccc(NC(=O)C[NH+](C)CC(=O)Nc2cccc(OC)c2)c1 COc1cccc(c1)[*:1] C#Cc1cccc(c1)NC(=O)C[NH+](C)CC(=O)N[*:1]
C#Cc1cccc(NC(=O)C[NH+](C)CC(=O)Nc2cccc(OC)c2)c1 C#Cc1cccc(c1)[*:1] COc1cccc(c1)NC(=O)C[NH+](C)CC(=O)N[*:1]
Fc1cccc(NC(=S)NCc2cccnc2)c1 c1cncc(c1)[*:1] Fc1cccc(c1)NC(=S)NC[*:1]
CCO[C@H](CCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C1CCCC1 C1CCC(C1)[*:1] CCO[C@H](CCNC(=O)c1ccc2C(=O)N(C)C(=O)c2c1)[*:1]
CCO[C@H](CCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C1CCCC1 CCO[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)NCC[C@H](C1CCCC1)[*:1]
COC(=O)c1ccc(-n2ncc(-c3ccc(C)cc3)c2N)cc1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)-n1ncc(c1N)[*:1]
COC(=O)c1ccc(-n2ncc(-c3ccc(C)cc3)c2N)cc1 COC(=O)[*:1] Cc1ccc(cc1)-c1cnn(-c2ccc(cc2)[*:1])c1N
Cc1c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)NCCc1nc2ccc(F)cc2[nH]1
CNc1nc(N2CCC(C(=O)[O-])(n3cccn3)CC2)ncc1F O=C([O-])[*:1] CNc1nc(ncc1F)N1CCC(CC1)(n1cccn1)[*:1]
CNc1nc(N2CCC(C(=O)[O-])(n3cccn3)CC2)ncc1F c1cnn(c1)[*:1] CNc1nc(ncc1F)N1CCC(CC1)(C(=O)[O-])[*:1]
COc1cccc(O[C@H](C)CNC(=O)N2CCOC[C@H]2C2CC2)c1 C1CC1[*:1] COc1cccc(c1)O[C@H](C)CNC(=O)N1CCOC[C@@H]1[*:1]
COc1cccc(O[C@H](C)CNC(=O)N2CCOC[C@H]2C2CC2)c1 COc1cccc(c1)[*:1] C[C@H](CNC(=O)N1CCOC[C@H]1C1CC1)O[*:1]
CCN(c1ccc(C(=O)Nc2cc(C)c(NC(C)=O)c(C)c2)cc1)C(C)C CC(C)[*:1] CCN(c1ccc(cc1)C(=O)Nc1cc(C)c(NC(C)=O)c(C)c1)[*:1]
CCN(c1ccc(C(=O)Nc2cc(C)c(NC(C)=O)c(C)c2)cc1)C(C)C CCN(C(C)C)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)c1ccc(cc1)[*:1]
CCN(c1ccc(C(=O)Nc2cc(C)c(NC(C)=O)c(C)c2)cc1)C(C)C CC(=O)N[*:1] CCN(c1ccc(cc1)C(=O)Nc1cc(C)c(c(C)c1)[*:1])C(C)C
O=C(NCC[C@H](O)c1ccccc1)c1cccc(Cl)c1Cl c1ccc(cc1)[*:1] O=C(NCC[C@H](O)[*:1])c1cccc(Cl)c1Cl
COc1ccc([C@H]2CC(c3ccco3)=Nc3ncnn32)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@H]1CC(=Nc2ncnn21)[*:1]
O=C(/C=C/c1cccs1)N1CCC(COCc2ccccc2)CC1 c1csc(c1)[*:1] O=C(C=C[*:1])N1CCC(CC1)COCc1ccccc1
O=C(/C=C/c1cccs1)N1CCC(COCc2ccccc2)CC1 C(=C[*:1])c1cccs1 O=C(N1CCC(CC1)COCc1ccccc1)[*:1]
O=C(/C=C/c1cccs1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(/C=C/c1cccs1)N1CCC(CC1)COC[*:1]
O=C(/C=C/c1cccs1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)CO[*:1] O=C(/C=C/c1cccs1)N1CCC(CC1)C[*:1]
O=C(/C=C/c1cccs1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(/C=C/c1cccs1)N1CCC(CC1)CO[*:1]
Cc1cccc(NC(=O)Cn2ncc3c(N4CCC(C)CC4)ncnc32)c1 Cc1cccc(c1)[*:1] CC1CCN(CC1)c1ncnc2c1cnn2CC(=O)N[*:1]
Cc1cccc(NC(=O)Cn2ncc3c(N4CCC(C)CC4)ncnc32)c1 CC1CCN(CC1)[*:1] Cc1cccc(c1)NC(=O)Cn1ncc2c(ncnc21)[*:1]
CCC(=O)Nc1ccc(NC(=O)NCCc2cccs2)cc1C CCC(=O)N[*:1] Cc1cc(ccc1[*:1])NC(=O)NCCc1cccs1
CCC(=O)Nc1ccc(NC(=O)NCCc2cccs2)cc1C c1csc(c1)[*:1] CCC(=O)Nc1ccc(cc1C)NC(=O)NCC[*:1]
CCC(=O)Nc1ccc(NC(=O)NCCc2cccs2)cc1C c1csc(c1)CC[*:1] CCC(=O)Nc1ccc(cc1C)NC(=O)N[*:1]
CCC(=O)Nc1ccc(NC(=O)NCCc2cccs2)cc1C c1csc(c1)C[*:1] CCC(=O)Nc1ccc(cc1C)NC(=O)NC[*:1]
Cc1cc(C)n(CC(=O)N[C@H](c2ccccc2)C2CC2)n1 C1CC1[*:1] Cc1cc(C)n(CC(=O)N[C@H](c2ccccc2)[*:1])n1
Cc1cc(C)n(CC(=O)N[C@H](c2ccccc2)C2CC2)n1 Cc1cc(C)n(n1)[*:1] O=C(C[*:1])N[C@H](c1ccccc1)C1CC1
Cc1cc(C)n(CC(=O)N[C@H](c2ccccc2)C2CC2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)N[C@H](C2CC2)[*:1])n1
CNc1ncnc(NNC(=O)COc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CNc1ncnc(NNC(=O)CO[*:1])c1[N+](=O)[O-]
CNc1ncnc(NNC(=O)COc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)O[*:1] CNc1ncnc(NNC(=O)C[*:1])c1[N+](=O)[O-]
CNc1ncnc(NNC(=O)COc2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ncnc(NNC(=O)COc2ccccc2)c1[*:1]
CCNC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2C)cs1 CCNC(=O)[*:1] Cc1ccc(C)c(c1)NS(=O)(=O)c1csc(c1)[*:1]
COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1cc2c(cc1Br)OCO2 COc1ccc(C)cc1[*:1] O=C(N/N=C\c1cc2OCOc2cc1Br)C(=O)N[*:1]
O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1)NNC(=O)[*:1]
O=C(COc1ccc(Br)cc1)NNC(=O)c1ccc(F)cc1 Brc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=O)c1ccc(F)cc1
COc1ccc(OC)c([C@H]2CCN(S(=O)(=O)c3ccc4c(c3)N(C(C)=O)CCS4)C2)c1 COc1ccc(OC)c(c1)[*:1] CC(=O)N1CCSc2ccc(cc21)S(=O)(=O)N1CC[C@@H](C1)[*:1]
O=C(NNc1ccccc1[N+](=O)[O-])c1ccccc1N1CCCC1=O O=[N+]([O-])[*:1] O=C(NNc1ccccc1[*:1])c1ccccc1N1CCCC1=O
O=C(NNc1ccccc1[N+](=O)[O-])c1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(NNc1ccccc1[N+](=O)[O-])c1ccccc1[*:1]
Cc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(CN2C(=O)c3cc(nn3C[C@]2(C)C(=O)NCc2ccccc2)[*:1])o1
Cc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2)o1 c1ccc(cc1)C[*:1] Cc1ccc(CN2C(=O)c3cc(nn3C[C@]2(C)C(=O)N[*:1])-c2ccccc2)o1
Cc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(CN2C(=O)c3cc(nn3C[C@]2(C)C(=O)NC[*:1])-c2ccccc2)o1
Cc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2)o1 Cc1ccc(C[*:1])o1 C[C@@]1(Cn2nc(cc2C(=O)N1[*:1])-c1ccccc1)C(=O)NCc1ccccc1
Cc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2)o1 Cc1ccc(o1)[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1C[*:1])-c1ccccc1)C(=O)NCc1ccccc1
Cc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@]2(C)C(=O)NCc2ccccc2)o1 O=C(NCc1ccccc1)[*:1] Cc1ccc(CN2C(=O)c3cc(nn3C[C@@]2(C)[*:1])-c2ccccc2)o1
Cc1cc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc(C)c1Cl OCc1ccc(o1)[*:1] Cc1cc(cc(C)c1Cl)OCC(=O)Nc1cccc(c1)[*:1]
Cc1cc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] O=C(CO[*:1])Nc1cccc(c1)-c1ccc(CO)o1
COc1ccc(C(=O)OCc2nc(C)no2)c(OC)c1 Cc1noc(n1)[*:1] COc1ccc(C(=O)OC[*:1])c(c1)OC
O=[N+]([O-])c1ccccc1N1CCc2ccccc21 O=[N+]([O-])[*:1] c1ccc2c(c1)CCN2c1ccccc1[*:1]
Cc1ccc(CNC(=O)N2CC[C@H](C)C[C@@H]2C)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)CO[*:1] Cc1ccc(CNC(=O)N2CC[C@H](C)C[C@@H]2C)c(c1)[*:1]
Cc1ccc(CNC(=O)N2CC[C@H](C)C[C@@H]2C)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] Cc1ccc(CNC(=O)N2CC[C@H](C)C[C@@H]2C)c(c1)OC[*:1]
Cc1ccc(CNC(=O)N2CC[C@H](C)C[C@@H]2C)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)C[*:1] Cc1ccc(CNC(=O)N2CC[C@H](C)C[C@@H]2C)c(c1)O[*:1]
CC(C)(CO)NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl CC(C)(CO)[*:1] O=C(/C=C/c1cc(ccc1Cl)C(F)(F)F)N[*:1]
CC(C)(CO)NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] CC(C)(CO)NC(=O)/C=C/c1cc(ccc1Cl)[*:1]
COc1cccc(-c2cnc(CNc3cc(NC(C)=O)ccc3F)o2)c1 CC(=O)N[*:1] COc1cccc(c1)-c1cnc(CNc2cc(ccc2F)[*:1])o1
COc1cccc(-c2cnc(CNc3cc(NC(C)=O)ccc3F)o2)c1 COc1cccc(c1)[*:1] CC(=O)Nc1ccc(F)c(c1)NCc1ncc(o1)[*:1]
COC(=O)CC1(CS(=O)(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 COC(=O)CC1(CC1)[*:1] O=S(=O)(C[*:1])N1CCN(CC1)[C@@H]1C[C@H]2CC[C@@H]1C2
COC(=O)CC1(CS(=O)(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 COC(=O)[*:1] O=S(=O)(CC1(CC1)C[*:1])N1CCN(CC1)[C@@H]1C[C@H]2CC[C@@H]1C2
COC(=O)CC1(CS(=O)(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 COC(=O)C[*:1] O=S(=O)(CC1(CC1)[*:1])N1CCN(CC1)[C@@H]1C[C@H]2CC[C@@H]1C2
COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(C(=O)/C=C/c2ccc(cc2)[*:1])c(c1)OC
COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c[nH]c2ccccc12 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)CCc1c[nH]c2ccccc12)[*:1]
COc1ccc(CCCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)CCCC(=O)N1CCc2ccc(cc2C1)[*:1]
COc1ccc(CCCC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 COc1ccc(cc1)[*:1] O=C(CCC[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
COCC[NH2+]C[C@@H]1CCCCN1c1ccc(C(N)=O)nn1 NC(=O)[*:1] COCC[NH2+]C[C@@H]1CCCCN1c1ccc(nn1)[*:1]
COCC[NH2+]C[C@@H]1CCCCN1c1ccc(C(N)=O)nn1 COC[*:1] NC(=O)c1ccc(nn1)N1CCCC[C@H]1C[NH2+]C[*:1]
COCC[NH2+]C[C@@H]1CCCCN1c1ccc(C(N)=O)nn1 COCC[*:1] NC(=O)c1ccc(nn1)N1CCCC[C@H]1C[NH2+][*:1]
CN(CCc1ccccn1)C(=O)CNC(=O)N(C)[C@@H]1CCc2ccccc21 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)CNC(=O)N(C)[C@@H]1CCc2ccccc21
CN(CCc1ccccn1)C(=O)CNC(=O)N(C)[C@@H]1CCc2ccccc21 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)CNC(=O)N(C)[C@@H]1CCc2ccccc21
CN(CCc1ccccn1)C(=O)CNC(=O)N(C)[C@@H]1CCc2ccccc21 c1ccc(CC[*:1])nc1 CN(C(=O)NCC(=O)N(C)[*:1])[C@@H]1CCc2ccccc21
CC(C)COCCC(=O)NC1(C(N)=O)CCCCC1 NC(=O)[*:1] CC(C)COCCC(=O)NC1(CCCCC1)[*:1]
CC(C)COCCC(=O)NC1(C(N)=O)CCCCC1 CC(C)C[*:1] NC(=O)C1(CCCCC1)NC(=O)CCO[*:1]
CC(C)COCCC(=O)NC1(C(N)=O)CCCCC1 CC(C)COC[*:1] NC(=O)C1(CCCCC1)NC(=O)C[*:1]
CC(C)COCCC(=O)NC1(C(N)=O)CCCCC1 CC(C)CO[*:1] NC(=O)C1(CCCCC1)NC(=O)CC[*:1]
CC(C)COCCC(=O)NC1(C(N)=O)CCCCC1 CC(C)[*:1] NC(=O)C1(CCCCC1)NC(=O)CCOC[*:1]
CCO[C@H](CC)C(=O)NCCc1ccc2c(c1)CCO2 CCO[C@H](CC)[*:1] O=C(NCCc1ccc2OCCc2c1)[*:1]
CCO[C@H](CC)C(=O)NCCc1ccc2c(c1)CCO2 CCO[*:1] CC[C@H](C(=O)NCCc1ccc2OCCc2c1)[*:1]
O=S(=O)(c1ccc(Oc2ccc(-c3nnco3)cc2)nc1)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] c1nnc(o1)-c1ccc(cc1)Oc1ccc(cn1)[*:1]
O=S(=O)(c1ccc(Oc2ccc(-c3nnco3)cc2)nc1)N1CCOCC1 c1nnc(o1)[*:1] O=S(=O)(c1ccc(nc1)Oc1ccc(cc1)[*:1])N1CCOCC1
O=C(NC[C@@H]1Cc2ccccc21)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(NC[C@@H]1Cc2ccccc21)c1ncccc1[*:1]
Cn1ncc(N2CCC(CNC(=O)CCn3cncn3)CC2)cc1=O c1ncn(CC[*:1])n1 Cn1ncc(cc1=O)N1CCC(CC1)CNC(=O)[*:1]
Cn1ncc(N2CCC(CNC(=O)CCn3cncn3)CC2)cc1=O c1ncn(n1)[*:1] Cn1ncc(cc1=O)N1CCC(CC1)CNC(=O)CC[*:1]
Cn1ncc(N2CCC(CNC(=O)CCn3cncn3)CC2)cc1=O Cn1ncc(cc1=O)[*:1] O=C(CCn1cncn1)NCC1CCN(CC1)[*:1]
Cn1ncc(N2CCC(CNC(=O)CCn3cncn3)CC2)cc1=O c1ncn(C[*:1])n1 Cn1ncc(cc1=O)N1CCC(CC1)CNC(=O)C[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc(-c3cccs3)n[nH]2)c1 c1csc(c1)[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)CSc1nc(n[nH]1)[*:1]
C[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1N(C)C CN(C)[*:1] C[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1[*:1]
Cc1cnc(NC(=O)c2c(-c3ccccc3)noc2C)s1 Cc1cnc(s1)[*:1] Cc1onc(-c2ccccc2)c1C(=O)N[*:1]
Cc1cnc(NC(=O)c2c(-c3ccccc3)noc2C)s1 c1ccc(cc1)[*:1] Cc1cnc(NC(=O)c2c(noc2C)[*:1])s1
C[C@@H]1CCCN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 C1CC1[*:1] C[C@@H]1CCCN(C1)C(=O)Nc1ccc2nc(oc2c1)[*:1]
CS(=O)(=O)c1ccc(C(=O)NC2(c3ccccc3)CCCC2)o1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(o1)C(=O)NC1(CCCC1)[*:1]
CS(=O)(=O)c1ccc(C(=O)NC2(c3ccccc3)CCCC2)o1 CS(=O)(=O)[*:1] O=C(NC1(CCCC1)c1ccccc1)c1ccc(o1)[*:1]
COCCN1C(=O)N=C(N)[C@@H]1c1ccc(O)c(Cl)c1 COC[*:1] NC1=NC(=O)N(C[*:1])[C@H]1c1ccc(O)c(Cl)c1
COCCN1C(=O)N=C(N)[C@@H]1c1ccc(O)c(Cl)c1 COCC[*:1] NC1=NC(=O)N([C@H]1c1ccc(O)c(Cl)c1)[*:1]
O=C(c1cc(-c2ccccc2)on1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1[*:1] O=C(c1cc(on1)-c1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1cc(-c2ccccc2)on1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 c1ccc(cc1)[*:1] O=C(c1cc(on1)[*:1])N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl
CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 Cc1ccc(cc1)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)Nc1cccc(F)c1)[*:1]
CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 Fc1cccc(c1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)N[*:1])c1ccc(C)cc1
CCOc1cccc(NC(=O)C(=O)N[C@@H](C)CO)c1 C[C@@H](CO)[*:1] CCOc1cccc(c1)NC(=O)C(=O)N[*:1]
CCOc1cccc(NC(=O)C(=O)N[C@@H](C)CO)c1 CCO[*:1] C[C@@H](CO)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)[C@]2(C)CC2(Br)Br)cc1 Cc1ccc(cc1)[*:1] C[C@]1(CC1(Br)Br)C(=O)N/N=C/c1c[nH]nc1[*:1]
C[NH+](C)[C@@H](CNC(=O)c1cn(Cc2cccnc2)nn1)c1cccs1 c1cncc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cn(C[*:1])nn1)c1cccs1
C[NH+](C)[C@@H](CNC(=O)c1cn(Cc2cccnc2)nn1)c1cccs1 c1cncc(c1)C[*:1] C[NH+](C)[C@@H](CNC(=O)c1cn(nn1)[*:1])c1cccs1
C[NH+](C)[C@@H](CNC(=O)c1cn(Cc2cccnc2)nn1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cn(Cc2cccnc2)nn1)[*:1]
[NH3+]CCCN(C(=O)N[C@H]1CCOC1)C1CCCCCC1 C1C[C@@H](CO1)[*:1] [NH3+]CCCN(C(=O)N[*:1])C1CCCCCC1
[NH3+]CCCN(C(=O)N[C@H]1CCOC1)C1CCCCCC1 [NH3+]CCC[*:1] O=C(N[C@H]1CCOC1)N(C1CCCCCC1)[*:1]
CNC(=O)c1ccccc1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl CNC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1[nH]c2ccc(Cl)cc2c1Cl
CCOC(=O)C[C@H](C)CNC(=O)c1cn2cccnc2n1 CCOC(=O)C[*:1] C[C@H](CNC(=O)c1cn2cccnc2n1)[*:1]
CCOC(=O)C[C@H](C)CNC(=O)c1cn2cccnc2n1 CCOC(=O)[*:1] C[C@H](CNC(=O)c1cn2cccnc2n1)C[*:1]
O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)C2CCCCCC2)CC1 C1CCCC(CC1)[*:1] O=C(c1ccc2OCOc2c1)N1CCN(CC1)C(=O)[*:1]
O=C(c1cnc2ccc(F)cc2c1N1CC[NH+](C2CCCCC2)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] Fc1ccc2ncc(c(c2c1)N1CC[NH+](CC1)C1CCCCC1)[*:1]
CC(C)N[C@]1(C#N)CC[C@@H](O[C@@H]2CCC[C@H](C)C2)C1 CC(C)N[*:1] C[C@H]1CCC[C@H](C1)O[C@@H]1CC[C@@](C#N)(C1)[*:1]
CC(C)N[C@]1(C#N)CC[C@@H](O[C@@H]2CCC[C@H](C)C2)C1 CC(C)[*:1] C[C@H]1CCC[C@H](C1)O[C@@H]1CC[C@](C#N)(C1)N[*:1]
Cc1cnc([C@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2Cl)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)[*:1]
CC1(C)Cc2c(ccn2CCC(=O)NC2CC2)[C@@H](O)C1 O=C(NC1CC1)[*:1] CC1(C)Cc2c(ccn2CC[*:1])[C@@H](O)C1
CC1(C)Cc2c(ccn2CCC(=O)NC2CC2)[C@@H](O)C1 C1CC1[*:1] CC1(C)Cc2c(ccn2CCC(=O)N[*:1])[C@@H](O)C1
Cc1cc(C)c2cc(C(=O)NC[C@@H](C)C[C@@H](C)O)[nH]c2c1 C[C@@H](O)[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)NC[C@@H](C)C[*:1]
Cc1cc(C)c2cc(C(=O)NC[C@@H](C)C[C@@H](C)O)[nH]c2c1 C[C@@H](O)C[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)NC[C@@H](C)[*:1]
COCCn1nc(C)c(NC(=O)c2sc3cccc(F)c3c2C)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)c1sc2cccc(F)c2c1C
COCCn1nc(C)c(NC(=O)c2sc3cccc(F)c3c2C)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)c1sc2cccc(F)c2c1C)[*:1]
Cc1c(NC(=O)[C@H]2CCCS2)cccc1N1CCOC1=O O=C1OCCN1[*:1] Cc1c(cccc1[*:1])NC(=O)[C@H]1CCCS1
CCOC[C@H](O)CN1CCN(C(=O)c2ccc(C#N)cc2)CC1 CCOC[*:1] N#Cc1ccc(cc1)C(=O)N1CCN(CC1)C[C@@H](O)[*:1]
CCOC[C@H](O)CN1CCN(C(=O)c2ccc(C#N)cc2)CC1 CCOC[C@H](O)C[*:1] N#Cc1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
CCOC[C@H](O)CN1CCN(C(=O)c2ccc(C#N)cc2)CC1 CCO[*:1] N#Cc1ccc(cc1)C(=O)N1CCN(CC1)C[C@@H](O)C[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)N(CC)CC)c2)C1 CCN(CC)C(=O)[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(NNC(=O)c2ccc(Cl)o2)cc1Cl Clc1ccc(o1)[*:1] Cc1ccc(cc1Cl)NNC(=O)[*:1]
O=C(NCCCCl)C12CC3CC(CC(C3)C1)C2 ClCC[*:1] O=C(NC[*:1])C12CC3CC(CC(C3)C1)C2
O=C(NCCCCl)C12CC3CC(CC(C3)C1)C2 ClCCC[*:1] O=C(N[*:1])C12CC3CC(CC(C3)C1)C2
COc1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 CC(C)[*:1] COc1ncnc2c1oc1nc(c3COC(C)(C)Cc3c12)[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)OCC CCCC[*:1] CCO[C@H](C)C(=O)N[C@H]1CCC[C@H]1[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)OCC CCC[*:1] CCO[C@H](C)C(=O)N[C@H]1CCC[C@H]1C[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)OCC CCO[C@H](C)[*:1] CCCC[C@@H]1CCC[C@@H]1NC(=O)[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)OCC CCO[*:1] CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)[*:1]
CCOCCn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C Cc1cccc(c1)C[*:1] CCOCCn1c(nc2c1c(=O)[nH]c(=O)n2C)S[*:1]
CCOCCn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C CCO[*:1] Cc1cccc(c1)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC[*:1]
CCOCCn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C Cc1cccc(c1)[*:1] CCOCCn1c(nc2c1c(=O)[nH]c(=O)n2C)SC[*:1]
CCOCCn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C CCOCC[*:1] Cc1cccc(c1)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
CCOCCn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C CCOC[*:1] Cc1cccc(c1)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
COC(=O)[C@](O)(C(C)C)[C@H]1CCC[C@@H](C)CC1 CC(C)[*:1] COC(=O)[C@](O)([C@H]1CCC[C@@H](C)CC1)[*:1]
COC(=O)[C@](O)(C(C)C)[C@H]1CCC[C@@H](C)CC1 COC(=O)[*:1] CC(C)[C@@](O)([C@H]1CCC[C@@H](C)CC1)[*:1]
CC[NH2+][C@]1(CO)CCC[C@H](N2CC[NH+]([C@@H](C)CC)CC2)C1 CC[C@H](C)[*:1] CC[NH2+][C@]1(CO)CCC[C@@H](C1)N1CC[NH+](CC1)[*:1]
CNC(=O)c1cc(COc2ccc(NC(=O)c3cccc(C)c3)cc2)on1 CNC(=O)[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)OCc1cc(no1)[*:1]
CNC(=O)c1cc(COc2ccc(NC(=O)c3cccc(C)c3)cc2)on1 CNC(=O)c1cc(on1)[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)OC[*:1]
CNC(=O)c1cc(COc2ccc(NC(=O)c3cccc(C)c3)cc2)on1 Cc1cccc(c1)[*:1] CNC(=O)c1cc(COc2ccc(cc2)NC(=O)[*:1])on1
CCN(CC)C(=O)CCSc1nnc(-c2ccc3ccccc3c2)o1 CCN(CC)C(=O)[*:1] c1ccc2cc(ccc2c1)-c1nnc(o1)SCC[*:1]
CCN(CC)C(=O)CCSc1nnc(-c2ccc3ccccc3c2)o1 CCN(CC)C(=O)C[*:1] c1ccc2cc(ccc2c1)-c1nnc(o1)SC[*:1]
Cc1c(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cnn1-c1ccc([O-])nn1 c1ccc(cc1)[*:1] Cc1c(cnn1-c1ccc([O-])nn1)C(=O)N1CCC[C@@H](CC1)[*:1]
O=C1CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2N1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2N1C[*:1]
O=C1CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2N1Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C1CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2N1[*:1]
O=C1CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2N1Cc1ccc(Cl)cc1 Clc1ccccc1[*:1] O=C1CN(C[*:1])S(=O)(=O)c2ccccc2N1Cc1ccc(Cl)cc1
O=C1CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2N1Cc1ccc(Cl)cc1 Clc1ccccc1C[*:1] O=C1CN(S(=O)(=O)c2ccccc2N1Cc1ccc(Cl)cc1)[*:1]
CC(C)(C)[C@H](NC(=O)Nc1cccc(N2CCOCC2)c1)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NC(=O)Nc1cccc(c1)N1CCOCC1)[*:1]
CC(C)(C)[C@H](NC(=O)Nc1cccc(N2CCOCC2)c1)C(N)=O C1CN(CCO1)[*:1] CC(C)(C)[C@H](NC(=O)Nc1cccc(c1)[*:1])C(N)=O
CC(C)(C)[C@H](NC(=O)Nc1cccc(N2CCOCC2)c1)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NC(=O)Nc1cccc(c1)N1CCOCC1)[*:1]
Cc1cccc(Cl)c1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21 Cc1cccc(Cl)c1[*:1] Cn1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
CC(C)[C@H](C(=O)NCC(=O)Nc1cccnc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C(=O)NCC(=O)Nc1cccnc1)[*:1]
CC(C)[C@H](C(=O)NCC(=O)Nc1cccnc1)c1ccccc1 CC(C)[*:1] O=C(CNC(=O)[C@H](c1ccccc1)[*:1])Nc1cccnc1
CC(C)[C@H](C(=O)NCC(=O)Nc1cccnc1)c1ccccc1 c1cncc(c1)[*:1] CC(C)[C@H](C(=O)NCC(=O)N[*:1])c1ccccc1
COc1cccc(C[C@@H](C)NC(=O)c2ccccc2C(C)=O)c1 CC(=O)[*:1] COc1cccc(c1)C[C@@H](C)NC(=O)c1ccccc1[*:1]
CC(C)[C@H](C(=O)NCCc1nc[nH]n1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C(=O)NCCc1nc[nH]n1)[*:1]
CC(C)[C@H](C(=O)NCCc1nc[nH]n1)c1ccccc1 CC(C)[*:1] O=C(NCCc1nc[nH]n1)[C@H](c1ccccc1)[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] CN(C)C(=O)C[*:1] O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)Cc1ccccc1[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] CN(C)C(=O)[*:1] O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C[*:1]
CC[C@@H](Oc1c(C)cc(Br)cc1[N+](=O)[O-])C(=O)NN NNC(=O)[*:1] CC[C@@H](Oc1c(C)cc(Br)cc1[N+](=O)[O-])[*:1]
CC[C@@H](Oc1c(C)cc(Br)cc1[N+](=O)[O-])C(=O)NN O=[N+]([O-])[*:1] CC[C@@H](Oc1c(C)cc(Br)cc1[*:1])C(=O)NN
COc1cccc(CC(=O)Nc2nnc(Cc3ccccc3)o2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)Nc1nnc(C[*:1])o1
COc1cccc(CC(=O)Nc2nnc(Cc3ccccc3)o2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])Nc1nnc(Cc2ccccc2)o1
COc1cccc(CC(=O)Nc2nnc(Cc3ccccc3)o2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)CC(=O)Nc1nnc(o1)[*:1]
O=C(COCC1CC1)N1CCC[C@H](n2cncn2)C1 C1CC1COC[*:1] O=C(N1CCC[C@@H](C1)n1cncn1)[*:1]
O=C(COCC1CC1)N1CCC[C@H](n2cncn2)C1 C1CC1C[*:1] O=C(CO[*:1])N1CCC[C@@H](C1)n1cncn1
O=C(COCC1CC1)N1CCC[C@H](n2cncn2)C1 C1CC1[*:1] O=C(COC[*:1])N1CCC[C@@H](C1)n1cncn1
O=C(COCC1CC1)N1CCC[C@H](n2cncn2)C1 C1CC1CO[*:1] O=C(C[*:1])N1CCC[C@@H](C1)n1cncn1
O=C(COCC1CC1)N1CCC[C@H](n2cncn2)C1 c1ncn(n1)[*:1] O=C(COCC1CC1)N1CCC[C@H](C1)[*:1]
Cn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)c1ccc2OCCOc2c1
CCC1=NN(C(=O)OC)[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CCC1C[C@@](O)(N(N=1)C(=O)OC)[*:1]
COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCC(C)CC4)c3N2)c1 FC(F)(F)[*:1] COc1cccc(c1)[C@@H]1C[C@H](n2ncc(C(=O)N3CCC(C)CC3)c2N1)[*:1]
COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCC(C)CC4)c3N2)c1 COc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)[*:1]
COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCC(C)CC4)c3N2)c1 CC1CCN(CC1)C(=O)[*:1] COc1cccc(c1)[C@@H]1C[C@@H](n2ncc(c2N1)[*:1])C(F)(F)F
COCCOc1ccccc1NC(=O)Nc1cccc(Cl)c1 COCCO[*:1] O=C(Nc1cccc(Cl)c1)Nc1ccccc1[*:1]
COCCOc1ccccc1NC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] COCCOc1ccccc1NC(=O)N[*:1]
COCCOc1ccccc1NC(=O)Nc1cccc(Cl)c1 COCC[*:1] O=C(Nc1cccc(Cl)c1)Nc1ccccc1O[*:1]
COCCOc1ccccc1NC(=O)Nc1cccc(Cl)c1 COC[*:1] O=C(Nc1cccc(Cl)c1)Nc1ccccc1OC[*:1]
O=C([O-])CCCCN1C(=O)N[C@@H]2NC(=O)N[C@@H]21 O=C([O-])[*:1] O=C1N[C@H]2NC(=O)N(CCCC[*:1])[C@H]2N1
O=C([O-])CCCCN1C(=O)N[C@@H]2NC(=O)N[C@@H]21 O=C([O-])CC[*:1] O=C1N[C@H]2NC(=O)N(CC[*:1])[C@H]2N1
O=C([O-])CCCCN1C(=O)N[C@@H]2NC(=O)N[C@@H]21 O=C([O-])C[*:1] O=C1N[C@H]2NC(=O)N(CCC[*:1])[C@H]2N1
CCc1onc(C)c1NC(=O)CCCOc1ccccc1Cl Clc1ccccc1[*:1] CCc1onc(C)c1NC(=O)CCCO[*:1]
COc1ccc(/C=C(/C(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)C(=C[*:1])c1ccccc1
COc1ccc(/C=C(/C(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(/C=C(/C(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)[*:1])cc1
CCc1ccc(C2=CCN(C(=O)[C@H]3CC34CCOCC4)CC2)cc1 CCc1ccc(cc1)[*:1] O=C([C@H]1CC12CCOCC2)N1CC=C(CC1)[*:1]
CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C)no2)C1 CCS[*:1] Cc1cc(on1)C(=O)N(C)[C@@H]1CC[C@H](C1)[*:1]
CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C)no2)C1 Cc1cc(on1)[*:1] CCS[C@@H]1CC[C@H](C1)N(C)C(=O)[*:1]
C#CCN1CCC(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 O=C(Nc1ccccc1)[*:1] C#CCN1CCC(CC1)C(=O)N[C@H](c1ccccc1)[*:1]
C#CCN1CCC(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 C#CCN1CCC(CC1)[*:1] O=C(Nc1ccccc1)[C@@H](NC(=O)[*:1])c1ccccc1
C#CCN1CCC(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C#CCN1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccccc1)[*:1]
C#CCN1CCC(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 C#CC[*:1] O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)C1CCN(CC1)[*:1]
C#CCN1CCC(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C#CCN1CCC(CC1)C(=O)N[C@H](C(=O)N[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)/C=C/c4ccco4)cc3C2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCc2ccc(cc2C1)NC(=O)C=C[*:1]
Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)/C=C/c4ccco4)cc3C2)cc1 C(=C[*:1])c1ccco1 Cc1ccc(cc1)S(=O)(=O)N1CCc2ccc(cc2C1)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)/C=C/c4ccco4)cc3C2)cc1 O=C(/C=C/c1ccco1)N[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCc2ccc(cc2C1)[*:1]
Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)/C=C/c4ccco4)cc3C2)cc1 Cc1ccc(cc1)[*:1] O=C(/C=C/c1ccco1)Nc1ccc2CCN(Cc2c1)S(=O)(=O)[*:1]
Cc1ccc(C[C@@H](NC(=O)[C@H]2CCCOC2)c2ccccn2)cc1 C1COC[C@H](C1)[*:1] Cc1ccc(cc1)C[C@@H](NC(=O)[*:1])c1ccccn1
Cc1ccc(C[C@@H](NC(=O)[C@H]2CCCOC2)c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)C[C@@H](NC(=O)[C@H]1CCCOC1)[*:1]
Cc1ccc(C[C@@H](NC(=O)[C@H]2CCCOC2)c2ccccn2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[C@@H](c1ccccn1)[*:1])[C@H]1CCCOC1
Cc1ccc(C[C@@H](NC(=O)[C@H]2CCCOC2)c2ccccn2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])c1ccccn1)[C@H]1CCCOC1
CCSCc1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 CCS[*:1] O=C(NCc1ccc(cc1)N1CCCC1=O)c1ccc(cc1)C[*:1]
CCSCc1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 O=C1CCCN1[*:1] CCSCc1ccc(cc1)C(=O)NCc1ccc(cc1)[*:1]
CCSCc1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 CCSC[*:1] O=C(NCc1ccc(cc1)N1CCCC1=O)c1ccc(cc1)[*:1]
CN(Cc1ccc(Br)cc1)C(=O)CNC(=O)c1cccc(Cl)c1 Brc1ccc(cc1)[*:1] CN(C[*:1])C(=O)CNC(=O)c1cccc(Cl)c1
CN(Cc1ccc(Br)cc1)C(=O)CNC(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN(Cc1ccc(Br)cc1)C(=O)CNC(=O)[*:1]
C[NH+](C)C(C)(C)CNC(=O)c1ccoc1 c1cc(co1)[*:1] C[NH+](C)C(C)(C)CNC(=O)[*:1]
CCC[C@@]1(C)CCCN(C(=O)C(=O)Nc2cc(C)c(NC(C)=O)c(C)c2)C1 CCC[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)C(=O)N1CCC[C@](C)(C1)[*:1]
CCC[C@@]1(C)CCCN(C(=O)C(=O)Nc2cc(C)c(NC(C)=O)c(C)c2)C1 CC(=O)N[*:1] CCC[C@@]1(C)CCCN(C1)C(=O)C(=O)Nc1cc(C)c(c(C)c1)[*:1]
CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 CCC[*:1] O=C(Nc1nonc1-c1ccc(Br)cc1)c1ccc(cc1)O[*:1]
CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CCCOc1ccc(cc1)C(=O)Nc1nonc1[*:1]
CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 CCCO[*:1] O=C(Nc1nonc1-c1ccc(Br)cc1)c1ccc(cc1)[*:1]
CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CN(Cc1ccccc1[*:1])C(=O)c1ccc(cc1)C(F)(F)F
CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(cc1)[*:1]
NC(=O)[C@H]1COCCN1Cc1nccc(N)n1 NC(=O)[*:1] Nc1ccnc(CN2CCOC[C@@H]2[*:1])n1
CCNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 CCNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])C(=O)Nc1ccc(F)c(F)c1
CCNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] CCNC(=O)c1ccc(cc1)CNC(=O)C(=O)N[*:1]
COc1ncncc1NC(=O)N[C@@H](C)c1ccc(C)o1 Cc1ccc(o1)[*:1] COc1ncncc1NC(=O)N[C@@H](C)[*:1]
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)c([O-])n2)c1 Cc1cc(C)cc(c1)NC(=O)[*:1] O=C(Nc1ccccc1-c1nnc(nc1[O-])SC[*:1])c1ccccc1
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)c([O-])n2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)c([O-])n1)N[*:1]
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)c([O-])n2)c1 O=C(N[*:1])c1ccccc1 Cc1cc(C)cc(c1)NC(=O)CSc1nnc(-c2ccccc2[*:1])c([O-])n1
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)c([O-])n2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nnc(-c2ccccc2NC(=O)[*:1])c([O-])n1
Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]Cc1cnn(C)c1C Cc1c(cnn1C)[*:1] Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[*:1]
Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]Cc1cnn(C)c1C c1ccc(cc1)C[*:1] Cc1nc(sc1[C@H](C)[NH2+]Cc1cnn(C)c1C)[*:1]
Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]Cc1cnn(C)c1C c1ccc(cc1)[*:1] Cc1nc(C[*:1])sc1[C@H](C)[NH2+]Cc1cnn(C)c1C
CC[C@@](C)(NC(=O)N1CCCC[C@@H]1C)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)N1CCCC[C@@H]1C)[*:1]
O=C(NCCc1ccc2c(c1)CCO2)C1CCN(C(=O)c2ccoc2)CC1 c1cc2OCCc2cc1[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)c1ccoc1
O=C(NCCc1ccc2c(c1)CCO2)C1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] O=C(NCCc1ccc2OCCc2c1)C1CCN(CC1)C(=O)[*:1]
O=C(c1cc(Cl)c[nH]1)N1CCO[C@H](c2ccc(F)cc2)C1 Clc1c[nH]c(c1)[*:1] O=C(N1CCO[C@@H](C1)c1ccc(F)cc1)[*:1]
O=C(c1cc(Cl)c[nH]1)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(c1cc(Cl)c[nH]1)N1CCO[C@H](C1)[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)Nc1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)Nc1ccccc1[*:1]
Cc1nc(CC(=O)NC[C@H]2CCS(=O)(=O)C2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])NC[C@H]1CCS(=O)(=O)C1
Cc1cccnc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O Fc1ccc(cc1)[*:1] Cc1cccnc1Cn1cnc2scc(c2c1=O)[*:1]
Cc1cccnc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O Cc1cccnc1C[*:1] O=c1c2c(csc2ncn1[*:1])-c1ccc(F)cc1
Cc1cccnc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O Cc1cccnc1[*:1] O=c1c2c(csc2ncn1C[*:1])-c1ccc(F)cc1
COC(=O)[C@H](C)CS[C@@H]1CCOC2(CCCC2)C1 COC(=O)[*:1] C[C@H](CS[C@@H]1CCOC2(CCCC2)C1)[*:1]
COC(=O)[C@H](C)CS[C@@H]1CCOC2(CCCC2)C1 COC(=O)[C@H](C)[*:1] C1CCC2(C1)C[C@@H](CCO2)SC[*:1]
CC(C)COc1nc(O[C@@H](C)CC(C)C)ccc1N CC(C)C[*:1] CC(C)COc1nc(ccc1N)O[C@@H](C)[*:1]
CC(C)COc1nc(O[C@@H](C)CC(C)C)ccc1N CC(C)C[C@H](C)[*:1] CC(C)COc1nc(ccc1N)O[*:1]
CC(C)COc1nc(O[C@@H](C)CC(C)C)ccc1N CC(C)[*:1] CC(C)C[C@H](C)Oc1ccc(N)c(n1)OC[*:1]
CC(C)COc1nc(O[C@@H](C)CC(C)C)ccc1N CC(C)[*:1] CC(C)COc1nc(ccc1N)O[C@@H](C)C[*:1]
CC(C)COc1nc(O[C@@H](C)CC(C)C)ccc1N CC(C)C[*:1] CC(C)C[C@H](C)Oc1ccc(N)c(n1)O[*:1]
CC(C)COc1nc(O[C@@H](C)CC(C)C)ccc1N CC(C)CO[*:1] CC(C)C[C@H](C)Oc1ccc(N)c(n1)[*:1]
COC(C)(C)c1noc(-c2cc(C(C)C)nn2C)n1 CC(C)[*:1] COC(C)(C)c1noc(n1)-c1cc(nn1C)[*:1]
COC(C)(C)c1noc(-c2cc(C(C)C)nn2C)n1 COC(C)(C)[*:1] CC(C)c1cc(-c2nc(no2)[*:1])n(C)n1
COc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1OCc1cccnc1 c1cncc(c1)CO[*:1] COc1ccc(cc1[*:1])NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl
COc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1OCc1cccnc1 c1cncc(c1)C[*:1] COc1ccc(cc1O[*:1])NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl
COc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)cc1OCc1cccnc1 c1cncc(c1)[*:1] COc1ccc(cc1OC[*:1])NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl
CCCCS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C CCC[*:1] CC(C)c1cccc(c1NS(=O)(=O)C[*:1])C(C)C
CCCCS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C CC(C)[*:1] CCCCS(=O)(=O)Nc1c(cccc1[*:1])C(C)C
CCCCS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C CCCC[*:1] CC(C)c1cccc(c1NS(=O)(=O)[*:1])C(C)C
C[NH2+]C1CCC(Nc2nc3c([N+](=O)[O-])cccc3o2)CC1 O=[N+]([O-])[*:1] C[NH2+]C1CCC(CC1)Nc1nc2c(cccc2o1)[*:1]
CC(=O)N[C@@H](CCC(=O)[O-])Cc1[nH+]c(C)ccc1[O-] O=C([O-])CC[*:1] CC(=O)N[C@@H](Cc1[nH+]c(C)ccc1[O-])[*:1]
CC(=O)N[C@@H](CCC(=O)[O-])Cc1[nH+]c(C)ccc1[O-] O=C([O-])[*:1] CC(=O)N[C@@H](CC[*:1])Cc1[nH+]c(C)ccc1[O-]
CC(=O)N[C@@H](CCC(=O)[O-])Cc1[nH+]c(C)ccc1[O-] CC(=O)N[*:1] Cc1ccc([O-])c(C[C@H](CCC(=O)[O-])[*:1])[nH+]1
CC(=O)N[C@@H](CCC(=O)[O-])Cc1[nH+]c(C)ccc1[O-] O=C([O-])C[*:1] CC(=O)N[C@H](Cc1[nH+]c(C)ccc1[O-])C[*:1]
C[C@H](NC(=O)C(C)(C)c1ccccc1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@H](NC(=O)C(C)(C)[*:1])c1ccc2OCCOc2c1
O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)OCC[*:1] O=C(c1nc(-c2ccccc2)n(n1)-c1ccccc1)N1CCN(CC1)[*:1]
O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1nc(-c2ccccc2)n(n1)-c1ccccc1)N1CCN(CCO[*:1])CC1
O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1nc(n(n1)-c1ccccc1)[*:1])N1CCN(CCOc2ccccc2)CC1
O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1nc(-c2ccccc2)n(n1)[*:1])N1CCN(CCOc2ccccc2)CC1
O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=C(c1nc(-c2ccccc2)n(n1)-c1ccccc1)N1CCN(CC1)C[*:1]
O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(c1nc(-c2ccccc2)n(n1)-c1ccccc1)N1CCN(CC1)CC[*:1]
COc1ccccc1NC1CCN(C(=O)N[C@@H]2CCC[C@@H]2C)CC1 COc1ccccc1[*:1] C[C@H]1CCC[C@H]1NC(=O)N1CCC(CC1)N[*:1]
C[C@H](NC(=O)Cc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C Fc1ccccc1[*:1] C[C@H](NC(=O)C[*:1])C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C
C[C@H](NC(=O)Cc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C Fc1ccccc1C[*:1] C[C@H](NC(=O)[*:1])C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C
Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H](C(N)=O)c2ccccc21 C1CCC(C1)[*:1] Cc1nc(sc1C(=O)N1CC[C@H](C(N)=O)c2ccccc21)[*:1]
Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H](C(N)=O)c2ccccc21 NC(=O)[*:1] Cc1nc(sc1C(=O)N1CC[C@H](c2ccccc21)[*:1])C1CCCC1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC(c2ccc(F)cc2)CC1 Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)N1CCC(CC1)c1ccc(F)cc1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC(c2ccc(F)cc2)CC1 Cc1n[nH]c(C)c1C[*:1] C[C@@H](C(=O)N1CCC(CC1)c1ccc(F)cc1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(S(=O)(=O)CC(=O)N2CCC(C(=O)[O-])CC2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])C1CCN(CC1)C(=O)CS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)CC(=O)N2CCC(C(=O)[O-])CC2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)N1CCC(CC1)[*:1]
COC[C@@H](O)CC[NH2+][C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 c1ccc(cc1)[*:1] COC[C@@H](O)CC[NH2+][C@H]1C[C@@H](C[C@@H](C)C1)[*:1]
COC[C@@H](O)CC[NH2+][C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 COC[*:1] C[C@@H]1C[C@@H](C[C@@H](C1)[NH2+]CC[C@H](O)[*:1])c1ccccc1
COC[C@@H](O)CC[NH2+][C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 COC[C@@H](O)C[*:1] C[C@@H]1C[C@@H](C[C@@H](C1)[NH2+]C[*:1])c1ccccc1
COC[C@@H](O)CC[NH2+][C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 COC[C@@H](O)[*:1] C[C@@H]1C[C@@H](C[C@@H](C1)[NH2+]CC[*:1])c1ccccc1
CN(C(=O)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 Fc1ccccc1[*:1] CN(C(=O)C[*:1])c1ccc(cc1)[N+](=O)[O-]
CN(C(=O)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(C(=O)Cc1ccccc1F)c1ccc(cc1)[*:1]
O=S1(=O)N=C(CN2CCC[NH+](Cc3ccccn3)CC2)Nc2ccc(Cl)cc21 c1ccc(C[*:1])nc1 O=S1(=O)N=C(CN2CCC[NH+](CC2)[*:1])Nc2ccc(Cl)cc21
O=S1(=O)N=C(CN2CCC[NH+](Cc3ccccn3)CC2)Nc2ccc(Cl)cc21 c1ccc(nc1)[*:1] O=S1(=O)N=C(CN2CCC[NH+](CC2)C[*:1])Nc2ccc(Cl)cc21
Cc1c(Cl)ccc2c(C(=O)N3CCCC3)cc(-c3ccccc3)nc12 O=C(N1CCCC1)[*:1] Cc1c(Cl)ccc2c(cc(nc12)-c1ccccc1)[*:1]
Cc1c(Cl)ccc2c(C(=O)N3CCCC3)cc(-c3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1c(Cl)ccc2c(cc(nc12)[*:1])C(=O)N1CCCC1
CCN1CCN(C(=O)Cn2nc(C)nc2C)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O Cc1nc(C)n(n1)[*:1] CCN1CCN(C[C@H](Cc2cccc(c2)-c2ccccc2)C1=O)C(=O)C[*:1]
CCN1CCN(C(=O)Cn2nc(C)nc2C)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O c1ccc(cc1)[*:1] CCN1CCN(C[C@H](Cc2cccc(c2)[*:1])C1=O)C(=O)Cn1nc(C)nc1C
CCN1CCN(C(=O)Cn2nc(C)nc2C)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O Cc1nc(C)n(C[*:1])n1 CCN1CCN(C[C@H](Cc2cccc(c2)-c2ccccc2)C1=O)C(=O)[*:1]
O=C(CC[S@](=O)c1ccc(F)cc1)NC(=O)NCC(F)(F)F Fc1ccc(cc1)[*:1] O=C(CC[S@](=O)[*:1])NC(=O)NCC(F)(F)F
O=C(CC[S@](=O)c1ccc(F)cc1)NC(=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(CC[S@](=O)c1ccc(F)cc1)NC(=O)NC[*:1]
O=C(CC[S@](=O)c1ccc(F)cc1)NC(=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CC[S@](=O)c1ccc(F)cc1)NC(=O)N[*:1]
CN(CC1CC1)C(=O)c1nnn(-c2cccc(F)c2)c1C1CC1 Fc1cccc(c1)[*:1] CN(CC1CC1)C(=O)c1nnn(c1C1CC1)[*:1]
CN(CC1CC1)C(=O)c1nnn(-c2cccc(F)c2)c1C1CC1 C1CC1C[*:1] CN(C(=O)c1nnn(-c2cccc(F)c2)c1C1CC1)[*:1]
CN(CC1CC1)C(=O)c1nnn(-c2cccc(F)c2)c1C1CC1 C1CC1[*:1] CN(CC1CC1)C(=O)c1nnn(-c2cccc(F)c2)c1[*:1]
CN(CC1CC1)C(=O)c1nnn(-c2cccc(F)c2)c1C1CC1 C1CC1[*:1] CN(C[*:1])C(=O)c1nnn(-c2cccc(F)c2)c1C1CC1
CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CCC1 NC(=O)N[*:1] CC[C@H](C)[C@@H](C(=O)NCC1(CCC1)c1ccccc1)[*:1]
CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CCC1 CC[C@H](C)[*:1] NC(=O)N[C@@H](C(=O)NCC1(CCC1)c1ccccc1)[*:1]
CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCC1(CCC1)[*:1]
COc1ccc(NC(=O)c2c(-c3ccc(Br)s3)noc2C)c(OC)c1 Brc1ccc(s1)[*:1] COc1ccc(NC(=O)c2c(noc2C)[*:1])c(c1)OC
CCc1cccc(NC(=O)NCCCCSC)c1 CSCCC[*:1] CCc1cccc(c1)NC(=O)NC[*:1]
CCc1cccc(NC(=O)NCCCCSC)c1 CSC[*:1] CCc1cccc(c1)NC(=O)NCCC[*:1]
CCc1cccc(NC(=O)NCCCCSC)c1 CSCC[*:1] CCc1cccc(c1)NC(=O)NCC[*:1]
CCc1cccc(NC(=O)NCCCCSC)c1 CSCCCC[*:1] CCc1cccc(c1)NC(=O)N[*:1]
CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(O)c(OC)c1 CCCC[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)O[*:1])=C(C)Nc2nnnn21
CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(O)c(OC)c1 CCCCOC(=O)[*:1] COc1cc(ccc1O)[C@H]1C(=C(C)Nc2nnnn21)[*:1]
CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(O)c(OC)c1 CCC[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)OC[*:1])=C(C)Nc2nnnn21
O=C1N/C(=C\c2cccn2-c2ccccc2)C(=O)N1c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C1N/C(=C\c2cccn2[*:1])C(=O)N1c1cccc(Cl)c1
O=C1N/C(=C\c2cccn2-c2ccccc2)C(=O)N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1N/C(=C\c2cccn2-c2ccccc2)C(=O)N1[*:1]
COc1cc2c(cc1OC)C1=C[C@@](O)(C(F)(F)F)C(=O)N1C(C)(C)C2 FC(F)(F)[*:1] COc1cc2CC(C)(C)N3C(=O)[C@](O)(C=C3c2cc1OC)[*:1]
Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] Cc1cc2ncc3c(C[C@H]4CC[C@@H]3N4C[*:1])n2n1
C[C@H](CCCO)NC(=O)NCCc1cccc(O)c1 C[C@H](CCCO)[*:1] O=C(NCCc1cccc(O)c1)N[*:1]
C[C@H](CCCO)NC(=O)NCCc1cccc(O)c1 OCC[*:1] C[C@H](C[*:1])NC(=O)NCCc1cccc(O)c1
C[C@H](CCCO)NC(=O)NCCc1cccc(O)c1 OCCC[*:1] C[C@H](NC(=O)NCCc1cccc(O)c1)[*:1]
COc1cccc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1Cl O=[N+]([O-])[*:1] COc1cccc(CCC(=O)N2c3ccc(cc3C[C@@H]2C)[*:1])c1Cl
CCCC(=O)Nc1cccc(N[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2)c1C CCC[*:1] Cc1ccc(cc1)NC(=O)NC(=O)[C@H](C)Nc1cccc(NC(=O)[*:1])c1C
CCCC(=O)Nc1cccc(N[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2)c1C CCCC(=O)N[*:1] Cc1ccc(cc1)NC(=O)NC(=O)[C@H](C)Nc1cccc(c1C)[*:1]
CCCC(=O)Nc1cccc(N[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2)c1C Cc1ccc(cc1)[*:1] CCCC(=O)Nc1cccc(N[C@@H](C)C(=O)NC(=O)N[*:1])c1C
COc1ccc(N/C([O-])=C(\C#N)C(=O)c2cccs2)cc1 O=C(c1cccs1)[*:1] COc1ccc(cc1)NC([O-])=C(C#N)[*:1]
COc1ccc(N/C([O-])=C(\C#N)C(=O)c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)N/C([O-])=C(\C#N)C(=O)[*:1]
O=C(NNC(=O)C(c1ccccc1)c1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NNC(=O)[*:1])C(c1ccccc1)c1ccccc1
O=C(NNC(=O)C(c1ccccc1)c1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] O=C(NNC(=O)C(c1ccccc1)[*:1])C1CCCCC1
CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(C)c(F)c1 CC[C@@H](C)[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+]CCC(=O)N[*:1]
OCCC#Cc1cc(F)cc(C[NH+]2CCCCCCC2)c1 OCCC#C[*:1] Fc1cc(cc(c1)[*:1])C[NH+]1CCCCCCC1
OCCC#Cc1cc(F)cc(C[NH+]2CCCCCCC2)c1 OCC[*:1] Fc1cc(C#C[*:1])cc(c1)C[NH+]1CCCCCCC1
O=C(Nc1ccc(N2CCOCC2)[nH+]c1)N(Cc1ccco1)C1CC1 C1CC1[*:1] O=C(Nc1ccc([nH+]c1)N1CCOCC1)N(Cc1ccco1)[*:1]
O=C(Nc1ccc(N2CCOCC2)[nH+]c1)N(Cc1ccco1)C1CC1 c1coc(c1)[*:1] O=C(Nc1ccc([nH+]c1)N1CCOCC1)N(C[*:1])C1CC1
O=C(Nc1ccc(N2CCOCC2)[nH+]c1)N(Cc1ccco1)C1CC1 c1coc(c1)C[*:1] O=C(Nc1ccc([nH+]c1)N1CCOCC1)N(C1CC1)[*:1]
O=C(Nc1ccc(N2CCOCC2)[nH+]c1)N(Cc1ccco1)C1CC1 C1CN(CCO1)[*:1] O=C(Nc1ccc([nH+]c1)[*:1])N(Cc1ccco1)C1CC1
Cc1nc(CSCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cs1 Clc1ccc(cc1)[*:1] Cc1nc(cs1)CSCC(=O)N[C@@H](C)[*:1]
Cc1nc(CSCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cs1 Cc1nc(cs1)C[*:1] C[C@H](NC(=O)CS[*:1])c1ccc(Cl)cc1
Cc1nc(CSCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cs1 Cc1nc(cs1)[*:1] C[C@H](NC(=O)CSC[*:1])c1ccc(Cl)cc1
COc1cccc(-c2ccc(SCC(=O)Nc3cc(C)on3)nn2)c1 COc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)CSc1ccc(nn1)[*:1]
COc1cccc(-c2ccc(SCC(=O)Nc3cc(C)on3)nn2)c1 Cc1cc(no1)[*:1] COc1cccc(c1)-c1ccc(nn1)SCC(=O)N[*:1]
CN(Cc1nc2ccccc2o1)c1nc2nonc2nc1N1CCSCC1 C1CN(CCS1)[*:1] CN(Cc1nc2ccccc2o1)c1nc2nonc2nc1[*:1]
CN(Cc1nc2ccccc2o1)c1nc2nonc2nc1N1CCSCC1 c1ccc2oc(nc2c1)[*:1] CN(C[*:1])c1nc2nonc2nc1N1CCSCC1
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nnc(C2CC2)n1C Cn1c(nnc1[*:1])C1CC1 CC(C)c1cccc(c1NC(=O)[C@H](C)S[*:1])C(C)C
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nnc(C2CC2)n1C C1CC1[*:1] CC(C)c1cccc(c1NC(=O)[C@H](C)Sc1nnc(n1C)[*:1])C(C)C
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nnc(C2CC2)n1C CC(C)[*:1] CC(C)c1cccc(c1NC(=O)[C@H](C)Sc1nnc(C2CC2)n1C)[*:1]
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] C[C@H](S[*:1])C(=O)N/N=C/c1ccc2OCOc2c1
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 c1ccc(cc1)CS[*:1] C[C@H](C(=O)N/N=C/c1ccc2OCOc2c1)[*:1]
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] C[C@H](SC[*:1])C(=O)N/N=C/c1ccc2OCOc2c1
CC[C@H](NC(=O)c1cnc2c(C)cccn2c1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1cnc2c(C)cccn2c1=O)[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Nc1cnc(Cl)cc1C COC(=O)[*:1] Cc1cc(Cl)ncc1NC(=O)N[C@H]1CCCCC[C@@H]1[*:1]
O=C1N[C@]2(COC3(CCN(C(=O)Cc4ccccc4Cl)CC3)C2)Nc2ccccc21 Clc1ccccc1[*:1] O=C1N[C@]2(COC3(CCN(CC3)C(=O)C[*:1])C2)Nc2ccccc21
O=C1N[C@]2(COC3(CCN(C(=O)Cc4ccccc4Cl)CC3)C2)Nc2ccccc21 Clc1ccccc1C[*:1] O=C1N[C@]2(COC3(CCN(CC3)C(=O)[*:1])C2)Nc2ccccc21
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CSc2cccs2)C1 c1csc(c1)S[*:1] CO[C@H]1C[C@@H](C(=O)[O-])N(C1)C(=O)C[*:1]
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CSc2cccs2)C1 c1csc(c1)[*:1] CO[C@H]1C[C@@H](C(=O)[O-])N(C1)C(=O)CS[*:1]
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CSc2cccs2)C1 O=C([O-])[*:1] CO[C@H]1C[C@@H](N(C1)C(=O)CSc1cccs1)[*:1]
O[C@H](CCc1ccccc1)C1(N2CCOCC2)CCCC1 c1ccc(cc1)[*:1] O[C@H](CC[*:1])C1(CCCC1)N1CCOCC1
O[C@H](CCc1ccccc1)C1(N2CCOCC2)CCCC1 c1ccc(cc1)C[*:1] O[C@H](C[*:1])C1(CCCC1)N1CCOCC1
O[C@H](CCc1ccccc1)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] O[C@H](CCc1ccccc1)C1(CCCC1)[*:1]
CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 CC(C)(C)[*:1] NC(=O)c1cc(ccc1F)NC(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 NC(=O)[*:1] CC(C)(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(c1)[*:1]
O=C([O-])c1ccc2c(c1)C(=O)O[C@H]2c1ccc(F)cc1 O=C([O-])[*:1] O=C1O[C@@H](c2ccc(F)cc2)c2ccc(cc21)[*:1]
CC(C)CCCNC(=O)N[C@H](CO)c1ccc(Cl)cc1 CC(C)C[*:1] O=C(NCC[*:1])N[C@H](CO)c1ccc(Cl)cc1
CC(C)CCCNC(=O)N[C@H](CO)c1ccc(Cl)cc1 CC(C)CCC[*:1] O=C(N[C@H](CO)c1ccc(Cl)cc1)N[*:1]
CC(C)CCCNC(=O)N[C@H](CO)c1ccc(Cl)cc1 CC(C)[*:1] O=C(NCCC[*:1])N[C@H](CO)c1ccc(Cl)cc1
CC(C)CCCNC(=O)N[C@H](CO)c1ccc(Cl)cc1 CC(C)CC[*:1] O=C(NC[*:1])N[C@H](CO)c1ccc(Cl)cc1
CC(C)(C)N1C[C@@H](NC(=O)Nc2cccnc2Cl)CC1=O CC(C)(C)[*:1] O=C(Nc1cccnc1Cl)N[C@H]1CC(=O)N(C1)[*:1]
CC(C)(C)N1C[C@@H](NC(=O)Nc2cccnc2Cl)CC1=O Clc1ncccc1[*:1] CC(C)(C)N1C[C@H](CC1=O)NC(=O)N[*:1]
CCCN[C@]1(C#N)CCC[C@@H](Sc2ncccn2)C1 CCCN[*:1] N#C[C@@]1(CCC[C@H](C1)Sc1ncccn1)[*:1]
CCCN[C@]1(C#N)CCC[C@@H](Sc2ncccn2)C1 CCC[*:1] N#C[C@]1(CCC[C@H](C1)Sc1ncccn1)N[*:1]
CCCN[C@]1(C#N)CCC[C@@H](Sc2ncccn2)C1 c1cnc(nc1)[*:1] CCCN[C@]1(C#N)CCC[C@H](C1)S[*:1]
O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCCSCC1 Fc1ccc(cc1)[*:1] O=C(c1nn(cc1[O-])[*:1])N1CCCSCC1
O=C(C1CCN(c2ccc(-c3ccco3)nn2)CC1)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)c1ccc(nn1)-c1ccco1)N(C[*:1])c1ccccc1
O=C(C1CCN(c2ccc(-c3ccco3)nn2)CC1)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(C1CCN(CC1)c1ccc(nn1)-c1ccco1)N(c1ccccc1)[*:1]
O=C(C1CCN(c2ccc(-c3ccco3)nn2)CC1)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)c1ccc(nn1)-c1ccco1)N(Cc1ccccc1)[*:1]
O=C(C1CCN(c2ccc(-c3ccco3)nn2)CC1)N(Cc1ccccc1)c1ccccc1 c1coc(c1)[*:1] O=C(C1CCN(CC1)c1ccc(nn1)[*:1])N(Cc1ccccc1)c1ccccc1
O=C(C1CCN(c2ccc(-c3ccco3)nn2)CC1)N(Cc1ccccc1)c1ccccc1 c1coc(c1)-c1ccc(nn1)[*:1] O=C(C1CCN(CC1)[*:1])N(Cc1ccccc1)c1ccccc1
CCCCOC(=O)c1cccc(NC(=O)C(C)(C)C)c1 CCC[*:1] CC(C)(C)C(=O)Nc1cccc(c1)C(=O)OC[*:1]
CCCCOC(=O)c1cccc(NC(=O)C(C)(C)C)c1 CC(C)(C)[*:1] CCCCOC(=O)c1cccc(c1)NC(=O)[*:1]
CCCCOC(=O)c1cccc(NC(=O)C(C)(C)C)c1 CCCC[*:1] CC(C)(C)C(=O)Nc1cccc(c1)C(=O)O[*:1]
CN1CCO[C@H](CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1 O=C([O-])[*:1] CN1CCO[C@H](CNC(=O)N2CC[C@@](C)(C2)[*:1])C1
O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)N[C@H](CCO)[*:1]
O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@H](CCO)c1ccccc1 OCC[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)N[C@H](c1ccccc1)[*:1]
O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@H](CCO)c1ccccc1 C1CCN(C1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])N[C@H](CCO)c1ccccc1
O=C(/C=C/c1cccs1)OCC(=O)N1CCc2ccccc2C1 c1csc(c1)[*:1] O=C(C=C[*:1])OCC(=O)N1CCc2ccccc2C1
O=C(/C=C/c1cccs1)OCC(=O)N1CCc2ccccc2C1 C(=C[*:1])c1cccs1 O=C(COC(=O)[*:1])N1CCc2ccccc2C1
Cc1nc(CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)no1 Cc1nc(no1)[*:1] O=C(c1ccc(F)c(F)c1)N1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)no1 Cc1nc(C[*:1])no1 O=C(c1ccc(F)c(F)c1)N1CCN(CC1)[*:1]
Cc1nn2c(=O)c(NC(=O)c3ccc(Cl)cc3)cnc2s1 Clc1ccc(cc1)[*:1] Cc1nn2c(=O)c(cnc2s1)NC(=O)[*:1]
COC(=O)COc1cccc(NC(=O)C(C)C)c1 CC(C)[*:1] COC(=O)COc1cccc(c1)NC(=O)[*:1]
COC(=O)COc1cccc(NC(=O)C(C)C)c1 CC(C)C(=O)N[*:1] COC(=O)COc1cccc(c1)[*:1]
COC(=O)COc1cccc(NC(=O)C(C)C)c1 COC(=O)CO[*:1] CC(C)C(=O)Nc1cccc(c1)[*:1]
COC(=O)COc1cccc(NC(=O)C(C)C)c1 COC(=O)C[*:1] CC(C)C(=O)Nc1cccc(c1)O[*:1]
COC(=O)COc1cccc(NC(=O)C(C)C)c1 COC(=O)[*:1] CC(C)C(=O)Nc1cccc(c1)OC[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](S(N)(=O)=O)C1 CS(=O)(=O)[*:1] NS(=O)(=O)[C@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](S(N)(=O)=O)C1 NS(=O)(=O)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[*:1]
CCc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)[C@H]3COc4ccccc4O3)nc12 C1CO[C@@H](C1)[*:1] CCc1cccc2sc(nc12)N(C[*:1])C(=O)[C@H]1COc2ccccc2O1
CCc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)[C@H]3COc4ccccc4O3)nc12 c1ccc2O[C@H](COc2c1)[*:1] CCc1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)[*:1]
CCc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)[C@H]3COc4ccccc4O3)nc12 C1CO[C@@H](C1)C[*:1] CCc1cccc2sc(nc12)N(C(=O)[C@H]1COc2ccccc2O1)[*:1]
C[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)NC2)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)Nc1ccc2CNC(=O)c2c1)C[*:1]
C[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)NC2)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@@H](CC(=O)Nc1ccc2CNC(=O)c2c1)[*:1]
Cc1cc(C)n(CC[C@H]2CCC[C@]2([NH2+]C(C)C)C(N)=O)n1 Cc1cc(C)n(n1)[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H]1CC[*:1])C(N)=O
Cc1cc(C)n(CC[C@H]2CCC[C@]2([NH2+]C(C)C)C(N)=O)n1 NC(=O)[*:1] Cc1cc(C)n(CC[C@H]2CCC[C@@]2([NH2+]C(C)C)[*:1])n1
Cc1cc(C)n(CC[C@H]2CCC[C@]2([NH2+]C(C)C)C(N)=O)n1 CC(C)[*:1] Cc1cc(C)n(CC[C@H]2CCC[C@]2([NH2+][*:1])C(N)=O)n1
CC[NH+](CC)CC(=O)N1CCN(Cc2ccoc2)CC1 c1cc(co1)C[*:1] CC[NH+](CC)CC(=O)N1CCN(CC1)[*:1]
CC[NH+](CC)CC(=O)N1CCN(Cc2ccoc2)CC1 c1cc(co1)[*:1] CC[NH+](CC)CC(=O)N1CCN(CC1)C[*:1]
CN1C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Oc2ccccc21 Clc1ccc(cc1)[*:1] CN1C(=O)c2cc(ccc2Oc2ccccc21)NS(=O)(=O)[*:1]
COCc1cc(C(=O)NCCc2nc3ccccc3n2C(C)C)no1 CC(C)[*:1] COCc1cc(no1)C(=O)NCCc1nc2ccccc2n1[*:1]
COCc1cc(C(=O)NCCc2nc3ccccc3n2C(C)C)no1 COC[*:1] CC(C)n1c(CCNC(=O)c2cc(on2)[*:1])nc2ccccc21
COCc1cc(C(=O)NCCc2nc3ccccc3n2C(C)C)no1 COCc1cc(no1)[*:1] CC(C)n1c(CCNC(=O)[*:1])nc2ccccc21
CSc1nc(C2CC2)nc(C)c1C(=O)NCCCc1ccc(O)cc1 C1CC1[*:1] CSc1nc(nc(C)c1C(=O)NCCCc1ccc(O)cc1)[*:1]
CSc1nc(C2CC2)nc(C)c1C(=O)NCCCc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] CSc1nc(nc(C)c1C(=O)NCC[*:1])C1CC1
CSc1nc(C2CC2)nc(C)c1C(=O)NCCCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] CSc1nc(nc(C)c1C(=O)NCCC[*:1])C1CC1
CCCc1cc(C(=O)N[C@@H](C)Cn2cccn2)sc1C CCC[*:1] Cc1sc(cc1[*:1])C(=O)N[C@@H](C)Cn1cccn1
CCCc1cc(C(=O)N[C@@H](C)Cn2cccn2)sc1C c1cnn(c1)C[*:1] CCCc1cc(sc1C)C(=O)N[C@@H](C)[*:1]
CCCc1cc(C(=O)N[C@@H](C)Cn2cccn2)sc1C c1cnn(c1)[*:1] CCCc1cc(sc1C)C(=O)N[C@@H](C)C[*:1]
CC(=O)c1sc(NC(=O)c2sc3cc(F)ccc3c2Cl)nc1C CC(=O)[*:1] Cc1nc(NC(=O)c2sc3cc(F)ccc3c2Cl)sc1[*:1]
COCC1CCN(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1 COC[*:1] C[C@@H]1C[C@@H](NC(=O)N2CCC(CC2)[*:1])C(=O)N1c1ccccc1
COCC1CCN(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] COCC1CCN(CC1)C(=O)N[C@@H]1C[C@@H](C)N(C1=O)[*:1]
Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C c1csc(c1)[*:1] Cc1cc(ccc1NC(=O)c1cc(nc2c1cnn2C(C)C)[*:1])C[NH+]1CCSCC1
Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C CC(C)[*:1] Cc1cc(ccc1NC(=O)c1cc(nc2c1cnn2[*:1])-c1cccs1)C[NH+]1CCSCC1
Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)c3cccc4ccccc34)CC2)c1C Fc1cccc(c1)[*:1] Cc1nc(nc(c1C)N1CCN(CC1)C(=O)c1cccc2ccccc12)[*:1]
Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)c3cccc4ccccc34)CC2)c1C c1ccc2c(cccc2c1)[*:1] Cc1nc(nc(c1C)N1CCN(CC1)C(=O)[*:1])-c1cccc(F)c1
C[C@H](C(=O)N[C@@H](C)C1CCCCC1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])C1CCCCC1
C[C@H](C(=O)N[C@@H](C)C1CCCCC1)c1ccsc1 C1CCC(CC1)[*:1] C[C@H](C(=O)N[C@@H](C)[*:1])c1ccsc1
O=[N+]([O-])c1ccc(CNc2ccc(Br)cn2)cc1 O=[N+]([O-])[*:1] Brc1ccc(nc1)NCc1ccc(cc1)[*:1]
CCN(C(=O)CS(=O)(=O)C(C)C)[C@H](C)c1ccc(F)cc1 CC(C)[*:1] CCN(C(=O)CS(=O)(=O)[*:1])[C@H](C)c1ccc(F)cc1
CCN(C(=O)CS(=O)(=O)C(C)C)[C@H](C)c1ccc(F)cc1 CC(C)S(=O)(=O)C[*:1] CCN(C(=O)[*:1])[C@H](C)c1ccc(F)cc1
CCN(C(=O)CS(=O)(=O)C(C)C)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)CS(=O)(=O)C(C)C)[C@H](C)[*:1]
CCN(C(=O)CS(=O)(=O)C(C)C)[C@H](C)c1ccc(F)cc1 CC(C)S(=O)(=O)[*:1] CCN(C(=O)C[*:1])[C@H](C)c1ccc(F)cc1
CCc1nn(C)cc1CNC(=O)N[C@@H](C)CCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)N[C@@H](C)CC[*:1]
CCc1nn(C)cc1CNC(=O)N[C@@H](C)CCc1ccc(O)cc1 CCc1nn(C)cc1[*:1] C[C@@H](CCc1ccc(O)cc1)NC(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)N[C@@H](C)CCc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] CCc1nn(C)cc1CNC(=O)N[C@@H](C)C[*:1]
Cc1nccn1-c1ncccc1NC(=O)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] Cc1nccn1-c1ncccc1NC(=O)c1ccc(nc1)[*:1]
Cc1nccn1-c1ncccc1NC(=O)c1ccc(-n2cccc2)nc1 Cc1nccn1[*:1] O=C(Nc1cccnc1[*:1])c1ccc(nc1)-n1cccc1
C[C@@]1(c2c(F)cccc2F)NC(=O)N(CCOc2ccccc2)C1=O c1ccc(cc1)O[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1c(F)cccc1F
C[C@@]1(c2c(F)cccc2F)NC(=O)N(CCOc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CCO[*:1])C1=O)c1c(F)cccc1F
C[C@@]1(c2c(F)cccc2F)NC(=O)N(CCOc2ccccc2)C1=O c1ccc(cc1)OC[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1c(F)cccc1F
C[C@@]1(c2c(F)cccc2F)NC(=O)N(CCOc2ccccc2)C1=O Fc1cccc(F)c1[*:1] C[C@]1(NC(=O)N(CCOc2ccccc2)C1=O)[*:1]
Cc1cnc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)s1 CC(C)[*:1] Cc1cnc(NC(=O)c2nn(C[*:1])c(=O)c3ccccc23)s1
Cc1cnc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)s1 CC(C)C[*:1] Cc1cnc(NC(=O)c2nn(c(=O)c3ccccc23)[*:1])s1
Cc1cnc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)s1 Cc1cnc(s1)[*:1] CC(C)Cn1nc(C(=O)N[*:1])c2ccccc2c1=O
CC(C)n1c([C@H](C)NC(=O)CCN2CCCC2=O)nc2ccccc21 CC(C)[*:1] C[C@H](NC(=O)CCN1CCCC1=O)c1nc2ccccc2n1[*:1]
CC(C)n1c([C@H](C)NC(=O)CCN2CCCC2=O)nc2ccccc21 O=C1CCCN1[*:1] CC(C)n1c(nc2ccccc21)[C@H](C)NC(=O)CC[*:1]
CC(C)n1c([C@H](C)NC(=O)CCN2CCCC2=O)nc2ccccc21 O=C1CCCN1C[*:1] CC(C)n1c(nc2ccccc21)[C@H](C)NC(=O)C[*:1]
CC(C)n1c([C@H](C)NC(=O)CCN2CCCC2=O)nc2ccccc21 O=C1CCCN1CC[*:1] CC(C)n1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
CCOc1ccc(C[NH+](Cc2ccc(C#N)cc2)C(C)C)nc1 CCO[*:1] CC(C)[NH+](Cc1ccc(C#N)cc1)Cc1ccc(cn1)[*:1]
CCOc1ccc(C[NH+](Cc2ccc(C#N)cc2)C(C)C)nc1 CC(C)[*:1] CCOc1ccc(C[NH+](Cc2ccc(C#N)cc2)[*:1])nc1
COc1ccc2c(c1)[C@H]([NH3+])[C@H](SC(C)C)CC2 CC(C)[*:1] COc1ccc2CC[C@@H](S[*:1])[C@@H]([NH3+])c2c1
COc1ccc2c(c1)[C@H]([NH3+])[C@H](SC(C)C)CC2 CC(C)S[*:1] COc1ccc2CC[C@@H]([C@@H]([NH3+])c2c1)[*:1]
Cc1cc(-c2ccccc2)nc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1 c1ccc(cc1)[*:1] Cc1cc(nc(n1)SCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(-c2ccccc2)nc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1 C1CCC(C1)[*:1] Cc1cc(nc(n1)SCC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1])-c1ccccc1
CC(C)CN1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)[C@H](C)C1=O CC(C)[*:1] C[C@@H]1C(=O)N(CCN1C(=O)Cc1c[nH]c(=O)n(C)c1=O)C[*:1]
CC(C)CN1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)[C@H](C)C1=O CC(C)C[*:1] C[C@@H]1C(=O)N(CCN1C(=O)Cc1c[nH]c(=O)n(C)c1=O)[*:1]
N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC[C@@H]1c1ccc(O)cc1
N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] N#Cc1ccc(cc1)OCC(=O)N1CCC[C@H]1[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)Nc2nnc(C(C)(C)C)s2)C1 CC(C)(C)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Nc1nnc(s1)[*:1]
COCCNC(=O)C(=O)NCC(F)(F)F COC[*:1] O=C(NCC(F)(F)F)C(=O)NC[*:1]
COCCNC(=O)C(=O)NCC(F)(F)F COCC[*:1] O=C(NCC(F)(F)F)C(=O)N[*:1]
COCCNC(=O)C(=O)NCC(F)(F)F FC(F)(F)[*:1] COCCNC(=O)C(=O)NC[*:1]
COCCNC(=O)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] COCCNC(=O)C(=O)N[*:1]
Cc1nc2ccccc2n1C[C@H](C)C(=O)NCCSc1nccn1C Cn1ccnc1SC[*:1] Cc1nc2ccccc2n1C[C@H](C)C(=O)NC[*:1]
Cc1nc2ccccc2n1C[C@H](C)C(=O)NCCSc1nccn1C Cn1ccnc1S[*:1] Cc1nc2ccccc2n1C[C@H](C)C(=O)NCC[*:1]
Cc1nc2ccccc2n1C[C@H](C)C(=O)NCCSc1nccn1C Cn1ccnc1[*:1] Cc1nc2ccccc2n1C[C@H](C)C(=O)NCCS[*:1]
Cc1ccc(NC(=O)NCc2ncccc2C)cc1-n1nnnc1C Cc1cccnc1[*:1] Cc1ccc(cc1-n1nnnc1C)NC(=O)NC[*:1]
Cc1ccc(NC(=O)NCc2ncccc2C)cc1-n1nnnc1C Cc1nnnn1[*:1] Cc1ccc(cc1[*:1])NC(=O)NCc1ncccc1C
Cc1ccc(NC(=O)NCc2ncccc2C)cc1-n1nnnc1C Cc1cccnc1C[*:1] Cc1ccc(cc1-n1nnnc1C)NC(=O)N[*:1]
O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1cccc(Cl)n1 Clc1cccc(n1)[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N[*:1]
CC(C)c1n[nH]c(C(=O)NCC2(O)CCSCC2)c1Br CC(C)[*:1] O=C(NCC1(O)CCSCC1)c1[nH]nc(c1Br)[*:1]
CCOc1c(F)cccc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CCO[*:1] Cn1c(nc2cc(ccc21)NC(=O)c1cccc(F)c1[*:1])C1CC1
CCOc1c(F)cccc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] CCOc1c(F)cccc1C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)OCC[C@H]1CCCC[NH2+]1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])OCC[C@H]1CCCC[NH2+]1
CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)N(C)c1ccccc1 c1ccc(cc1)[*:1] CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)N(C)[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)N(C)c1ccccc1 CCC[*:1] C[C@@H](CNC(=O)[C@H]1CSCN1C(=O)[*:1])N(C)c1ccccc1
CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)N(C)c1ccccc1 CN(c1ccccc1)[*:1] CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)c1cccc(Br)n1 CNC(=O)[*:1] Cc1ccc(NC(=O)c2cccc(Br)n2)c(c1)[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)c1cccc(Br)n1 Brc1cccc(n1)[*:1] CNC(=O)c1cc(C)ccc1NC(=O)[*:1]
CCC[NH+](CC(=O)Nc1cc(Cl)ccc1F)Cc1nc2ccsc2c(=O)[nH]1 Fc1ccc(Cl)cc1[*:1] CCC[NH+](CC(=O)N[*:1])Cc1nc2ccsc2c(=O)[nH]1
CCC[NH+](CC(=O)Nc1cc(Cl)ccc1F)Cc1nc2ccsc2c(=O)[nH]1 CCC[*:1] O=C(C[NH+](Cc1nc2ccsc2c(=O)[nH]1)[*:1])Nc1cc(Cl)ccc1F
CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 CCc1cn[nH]c1[*:1] O=C(c1csc(n1)-c1cccs1)N1CCC[C@@H](C1)[*:1]
CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 c1csc(c1)[*:1] CCc1cn[nH]c1[C@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4)CC3)n2)cc1 Cc1ccc(cc1)[*:1] Nc1nc(CN2CCN(CC2)c2ccccc2)nc(n1)N[*:1]
Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4)CC3)n2)cc1 Cc1ccc(cc1)N[*:1] Nc1nc(CN2CCN(CC2)c2ccccc2)nc(n1)[*:1]
Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4)CC3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Nc1nc(N)nc(CN2CCN(CC2)[*:1])n1
O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1I c1csc(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1I
O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1I Ic1ccccc1[*:1] O=C(Nc1ccc(cc1)-c1nccs1)[*:1]
O=C1/C(=C/Nc2cccc([N+](=O)[O-])c2)CCc2ccccc21 O=[N+]([O-])[*:1] O=C1/C(=C/Nc2cccc(c2)[*:1])CCc2ccccc21
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCn1cccn1 FC(F)(F)[*:1] O=C(NCC#Cc1cccc(c1)[*:1])NCCCn1cccn1
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCn1cccn1 c1cnn(c1)C[*:1] O=C(NCC#Cc1cccc(c1)C(F)(F)F)NCC[*:1]
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCn1cccn1 c1cnn(c1)CCC[*:1] O=C(NCC#Cc1cccc(c1)C(F)(F)F)N[*:1]
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCn1cccn1 c1cnn(c1)[*:1] O=C(NCC#Cc1cccc(c1)C(F)(F)F)NCCC[*:1]
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCn1cccn1 c1cnn(c1)CC[*:1] O=C(NCC#Cc1cccc(c1)C(F)(F)F)NC[*:1]
O=C(CCN1C(=O)CCC1=O)O[C@H](c1ccccc1)c1cccnc1 O=C1CCC(=O)N1[*:1] O=C(CC[*:1])O[C@H](c1ccccc1)c1cccnc1
O=C(CCN1C(=O)CCC1=O)O[C@H](c1ccccc1)c1cccnc1 O=C1CCC(=O)N1C[*:1] O=C(C[*:1])O[C@H](c1ccccc1)c1cccnc1
O=C(CCN1C(=O)CCC1=O)O[C@H](c1ccccc1)c1cccnc1 c1cncc(c1)[*:1] O=C(CCN1C(=O)CCC1=O)O[C@H](c1ccccc1)[*:1]
O=C(CCN1C(=O)CCC1=O)O[C@H](c1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] O=C(CCN1C(=O)CCC1=O)O[C@H](c1cccnc1)[*:1]
CCCn1c(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)nc2ccccc21 c1coc(c1)[*:1] CCCn1c(nc2ccccc21)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CCCn1c(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)nc2ccccc21 CCC[*:1] O=C(Nc1nc2ccccc2n1[*:1])c1ccc(cc1)NC(=O)c1ccco1
CCCn1c(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)nc2ccccc21 O=C(N[*:1])c1ccco1 CCCn1c(nc2ccccc21)NC(=O)c1ccc(cc1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(F)cc2C(=O)OC)C1 COC(=O)[*:1] CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(F)cc2[*:1])C1
CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(F)cc2C(=O)OC)C1 CCNS(=O)(=O)[*:1] COC(=O)c1cc(F)ccc1CN1CC[C@H](C1)[*:1]
O=C([C@H]1COc2ccc(F)cc2C1)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] O=C([C@H]1COc2ccc(F)cc2C1)N1CC[NH+](CC1)[*:1]
Cc1nc2ccccc2c(C)c1CC(=O)NNc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2ccccc2c(C)c1CC(=O)NN[*:1]
COC(=O)C[C@@H](C)C(=O)NCC1(C)Cc2ccccc2C1 COC(=O)C[C@@H](C)[*:1] CC1(CNC(=O)[*:1])Cc2ccccc2C1
COC(=O)C[C@@H](C)C(=O)NCC1(C)Cc2ccccc2C1 COC(=O)C[*:1] C[C@@H](C(=O)NCC1(C)Cc2ccccc2C1)[*:1]
COC(=O)C[C@@H](C)C(=O)NCC1(C)Cc2ccccc2C1 COC(=O)[*:1] C[C@H](C[*:1])C(=O)NCC1(C)Cc2ccccc2C1
C=CCCC(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 C=CCC[*:1] O=C(N1CCC[C@H](C1)c1[nH+]ccn1CC1CCC1)[*:1]
C=CCCC(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 C1CC(C1)[*:1] C=CCCC(=O)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
C=CCCC(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 C1CC(C1)C[*:1] C=CCCC(=O)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
C=CCCC(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 C=CC[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1[nH+]ccn1CC1CCC1
O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)[*:1]
O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1Cl c1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](N1CCOCC1)[*:1])c1ccc(F)cc1Cl
O=S(=O)(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1Cl C1CN(CCO1)[*:1] O=S(=O)(NC[C@@H](c1ccccc1)[*:1])c1ccc(F)cc1Cl
CNC(=O)[C@H](CC(C)C)NC(=O)c1ccnc(OC2CCCCC2)c1 CC(C)[*:1] CNC(=O)[C@H](C[*:1])NC(=O)c1ccnc(c1)OC1CCCCC1
CNC(=O)[C@H](CC(C)C)NC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] CNC(=O)[C@H](CC(C)C)NC(=O)c1ccnc(c1)[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)c1ccnc(OC2CCCCC2)c1 CC(C)C[*:1] CNC(=O)[C@H](NC(=O)c1ccnc(c1)OC1CCCCC1)[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] CNC(=O)[C@H](CC(C)C)NC(=O)c1ccnc(c1)O[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)c1ccnc(OC2CCCCC2)c1 CNC(=O)[*:1] CC(C)C[C@H](NC(=O)c1ccnc(c1)OC1CCCCC1)[*:1]
Cc1ccc(N2CC[C@@H](NC(=O)NCc3nc(C)c(C)o3)C2=O)cc1 Cc1nc(oc1C)[*:1] Cc1ccc(cc1)N1CC[C@@H](NC(=O)NC[*:1])C1=O
Cc1ccc(N2CC[C@@H](NC(=O)NCc3nc(C)c(C)o3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1nc(CNC(=O)N[C@@H]2CCN(C2=O)[*:1])oc1C
Cc1ccc(N2CC[C@@H](NC(=O)NCc3nc(C)c(C)o3)C2=O)cc1 Cc1nc(C[*:1])oc1C Cc1ccc(cc1)N1CC[C@@H](NC(=O)N[*:1])C1=O
Cc1c(Br)cccc1C[S@](=O)CC(=O)N(C)CC1CC1 C1CC1C[*:1] Cc1c(Br)cccc1C[S@](=O)CC(=O)N(C)[*:1]
Cc1c(Br)cccc1C[S@](=O)CC(=O)N(C)CC1CC1 C1CC1[*:1] Cc1c(Br)cccc1C[S@](=O)CC(=O)N(C)C[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(N3CC[NH+](C)CC3)c3c2CCCC3)c1 CC(=O)N[*:1] C[NH+]1CCN(CC1)n1c2CCCCc2c(nc1=O)SCC(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(N3CC[NH+](C)CC3)c3c2CCCC3)c1 CC(=O)Nc1cccc(c1)[*:1] C[NH+]1CCN(CC1)n1c2CCCCc2c(nc1=O)SCC(=O)N[*:1]
Fc1ccc(Cn2nnnc2[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 Fc1ccc(cc1)[*:1] Fc1cccc(c1)[C@H](c1nnnn1C[*:1])N1CCOCC1
Fc1ccc(Cn2nnnc2[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Fc1ccc(cc1)Cn1nnnc1[C@@H](c1cccc(F)c1)[*:1]
Fc1ccc(Cn2nnnc2[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 Fc1cccc(c1)[*:1] Fc1ccc(cc1)Cn1nnnc1[C@@H](N1CCOCC1)[*:1]
Fc1ccc(Cn2nnnc2[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 Fc1ccc(cc1)C[*:1] Fc1cccc(c1)[C@H](c1nnnn1[*:1])N1CCOCC1
C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)NCCC1=CCCCC1 O=C1CCCN1[*:1] C[C@H](Nc1ccc(cc1)[*:1])C(=O)NCCC1=CCCCC1
C[C@@](O)(CNC(=O)/C=C/c1ccccc1OC(F)F)c1cccs1 FC(F)O[*:1] C[C@@](O)(CNC(=O)/C=C/c1ccccc1[*:1])c1cccs1
C[C@@](O)(CNC(=O)/C=C/c1ccccc1OC(F)F)c1cccs1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)/C=C/c1ccccc1OC(F)F)[*:1]
C[C@@](O)(CNC(=O)/C=C/c1ccccc1OC(F)F)c1cccs1 FC(F)[*:1] C[C@@](O)(CNC(=O)/C=C/c1ccccc1O[*:1])c1cccs1
COC(=O)[C@@H]1CN(C(=O)Cc2ccccc2)C[C@@H]1C c1ccc(cc1)[*:1] COC(=O)[C@@H]1CN(C[C@@H]1C)C(=O)C[*:1]
COC(=O)[C@@H]1CN(C(=O)Cc2ccccc2)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@H]1[*:1])C(=O)Cc1ccccc1
O=C(/C=C/c1ccccc1)N[C@H](Cl)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=C(/C=C/c1ccccc1)N[C@H](Cl)[*:1]
Cc1csc(NC(=O)CN2CCN(CCn3cc[nH+]c3-c3ccccc3)CC2)n1 Cc1csc(n1)NC(=O)[*:1] c1ccc(cc1)-c1[nH+]ccn1CCN1CCN(CC1)C[*:1]
Cc1csc(NC(=O)CN2CCN(CCn3cc[nH+]c3-c3ccccc3)CC2)n1 Cc1csc(n1)[*:1] O=C(CN1CCN(CC1)CCn1cc[nH+]c1-c1ccccc1)N[*:1]
Cc1csc(NC(=O)CN2CCN(CCn3cc[nH+]c3-c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)CN1CCN(CC1)CCn1cc[nH+]c1[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(CC1)[*:1]
COc1cccc(OC)c1C(=O)NCC1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] COc1cccc(OC)c1C(=O)NCC1(CCOCC1)[*:1]
COC(=O)CCCCNC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C COC(=O)[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCCCC[*:1]
COC(=O)CCCCNC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C COC(=O)CC[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCC[*:1]
COC(=O)CCCCNC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C COC(=O)CCC[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NC[*:1]
COC(=O)CCCCNC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C COC(=O)C[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCCC[*:1]
COC(=O)CCCCNC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C COC(=O)CCCC[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[*:1]
CCOCCN(C)S(=O)(=O)/C=C/c1ccccc1Cl CCO[*:1] CN(CC[*:1])S(=O)(=O)/C=C/c1ccccc1Cl
CCOCCN(C)S(=O)(=O)/C=C/c1ccccc1Cl CCOCC[*:1] CN(S(=O)(=O)/C=C/c1ccccc1Cl)[*:1]
CCOCCN(C)S(=O)(=O)/C=C/c1ccccc1Cl CCOC[*:1] CN(C[*:1])S(=O)(=O)/C=C/c1ccccc1Cl
Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH]c(nc1[*:1])S[C@@H](C)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]
Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(nc1C[*:1])S[C@@H](C)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]
Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc1Cc1ccccc1 O=[N+]([O-])[*:1] Cc1[nH]c(nc1Cc1ccccc1)S[C@@H](C)C(=O)Nc1ccc(cc1Cl)[*:1]
COC(=O)N1CCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 O=[N+]([O-])[*:1] COC(=O)N1CCN(CCNC(=O)c2ccc(o2)[*:1])CC1
O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 Clc1ccc(cc1)[*:1] O=c1cc(nc([nH]1)N1CCN(CC1)Cc1ccccc1)[*:1]
O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 c1ccc(cc1)C[*:1] O=c1cc(nc([nH]1)N1CCN(CC1)[*:1])-c1ccc(Cl)cc1
O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 c1ccc(cc1)[*:1] O=c1cc(nc([nH]1)N1CCN(CC1)C[*:1])-c1ccc(Cl)cc1
CC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 Clc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCO[C@@H](C1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 CC(=O)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
O=C(CC[NH2+]CCn1cccn1)N1CCc2ccccc21 c1cnn(c1)[*:1] O=C(CC[NH2+]CC[*:1])N1CCc2ccccc21
O=C(CC[NH2+]CCn1cccn1)N1CCc2ccccc21 c1cnn(c1)CC[*:1] O=C(CC[NH2+][*:1])N1CCc2ccccc21
O=C(CC[NH2+]CCn1cccn1)N1CCc2ccccc21 c1cnn(c1)C[*:1] O=C(CC[NH2+]C[*:1])N1CCc2ccccc21
O=C(CSC(=S)N1C(=O)CCC1=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSC(=S)N1C(=O)CCC1=O)N[*:1]
CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl Clc1ccccc1[*:1] CC[C@H](C)NC(=O)c1ccccc1NC(=O)C=C[*:1]
CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl CC[C@H](C)[*:1] O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(=O)N[*:1]
CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl CC[C@H](C)NC(=O)[*:1] O=C(/C=C/c1ccccc1Cl)Nc1ccccc1[*:1]
CCc1ccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)CC)cc1 CC[C@H](C)C[*:1] CCc1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
CCc1ccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)CC)cc1 CC[C@H](C)[*:1] CCc1ccc(cc1)NC(=O)C(=O)N[C@H](C)C[*:1]
CCNc1nc(S[C@@H](C)C(=O)NC(C)(C)CC)nc2ccccc12 CCN[*:1] CCC(C)(C)NC(=O)[C@H](C)Sc1nc(c2ccccc2n1)[*:1]
CCNc1nc(S[C@@H](C)C(=O)NC(C)(C)CC)nc2ccccc12 CCC(C)(C)[*:1] CCNc1nc(nc2ccccc12)S[C@@H](C)C(=O)N[*:1]
CCNc1nc(S[C@@H](C)C(=O)NC(C)(C)CC)nc2ccccc12 CCC(C)(C)NC(=O)[*:1] CCNc1nc(nc2ccccc12)S[C@@H](C)[*:1]
O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)[*:1]
Cc1cc(NC(=O)C(C)(C)C#N)n(-c2cc(C(F)(F)F)ccc2Cl)n1 CC(C)(C#N)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1cc(ccc1Cl)C(F)(F)F
Cc1cc(NC(=O)C(C)(C)C#N)n(-c2cc(C(F)(F)F)ccc2Cl)n1 CC(C)(C#N)C(=O)N[*:1] Cc1cc(n(n1)-c1cc(ccc1Cl)C(F)(F)F)[*:1]
Cc1cc(NC(=O)C(C)(C)C#N)n(-c2cc(C(F)(F)F)ccc2Cl)n1 FC(F)(F)[*:1] Cc1cc(NC(=O)C(C)(C)C#N)n(n1)-c1cc(ccc1Cl)[*:1]
CCC[NH+]1CCN(C(=O)[C@@H]2C=C(c3ccc(Cl)cc3)N=N2)CC1 Clc1ccc(cc1)[*:1] CCC[NH+]1CCN(CC1)C(=O)[C@@H]1C=C(N=N1)[*:1]
CCC[NH+]1CCN(C(=O)[C@@H]2C=C(c3ccc(Cl)cc3)N=N2)CC1 CCC[*:1] O=C([C@@H]1C=C(N=N1)c1ccc(Cl)cc1)N1CC[NH+](CC1)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1I Cc1ccc(cc1I)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1I NS(=O)(=O)[*:1] Cc1ccc(cc1I)C(=O)NC(=S)Nc1ccc(cc1)[*:1]
Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)ncn2)n1 Cc1cc(C)n(n1)[*:1] O=C(c1ccc2ccccc2c1)N1CCN(CC1)c1cc(ncn1)[*:1]
Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)ncn2)n1 c1ccc2cc(ccc2c1)[*:1] Cc1cc(C)n(n1)-c1cc(ncn1)N1CCN(CC1)C(=O)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(C)n1N CCC[*:1] Cc1nnc(S[C@@H](C)C(=O)N[C@H](C)[*:1])n1N
CCC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(C)n1N CCC[C@@H](C)[*:1] Cc1nnc(S[C@@H](C)C(=O)N[*:1])n1N
CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@H]1CC13CCC3)CC2 O=C(N1CCCC1)[*:1] CNc1nc2CCN(Cc2c(n1)[*:1])C(=O)[C@H]1CC12CCC2
CCOCCNC(=O)c1cc(C)cc(F)c1 CCOC[*:1] Cc1cc(F)cc(c1)C(=O)NC[*:1]
CCOCCNC(=O)c1cc(C)cc(F)c1 CCOCC[*:1] Cc1cc(F)cc(c1)C(=O)N[*:1]
CCOCCNC(=O)c1cc(C)cc(F)c1 CCO[*:1] Cc1cc(F)cc(c1)C(=O)NCC[*:1]
COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)s1 COCC[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)[*:1]
COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)s1 COC[*:1] Cc1nc(C[*:1])sc1[C@H](C)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21
O=C(CN1CCN(C[C@H](O)c2cccs2)CC1)N1CCCCCC1 O[C@@H](C[*:1])c1cccs1 O=C(CN1CCN(CC1)[*:1])N1CCCCCC1
O=C(CN1CCN(C[C@H](O)c2cccs2)CC1)N1CCCCCC1 c1csc(c1)[*:1] O=C(CN1CCN(CC1)C[C@H](O)[*:1])N1CCCCCC1
Cc1cc2occ(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2cc1C(C)C c1ccc(cc1)[*:1] Cc1cc2occ(CC(=O)Nc3c(C)n(C)n(c3=O)[*:1])c2cc1C(C)C
Cc1cc2occ(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2cc1C(C)C CC(C)[*:1] Cc1cc2occ(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2cc1[*:1]
Cc1c(C(=O)N[C@H](C)[C@H]2CCCO2)cnn1-c1ccc([O-])nn1 C1CO[C@H](C1)[*:1] Cc1c(cnn1-c1ccc([O-])nn1)C(=O)N[C@H](C)[*:1]
Cc1c(C(=O)N[C@H](C)[C@H]2CCCO2)cnn1-c1ccc([O-])nn1 [O-]c1ccc(nn1)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H](C)[C@H]1CCCO1
CC[NH+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[NH+](CC(=O)Nc1c(C)cccc1C)C[*:1]
CCOCCS(=O)(=O)[C@H](C)c1ccccc1 CCOCC[*:1] C[C@H](c1ccccc1)S(=O)(=O)[*:1]
CCOCCS(=O)(=O)[C@H](C)c1ccccc1 CCO[*:1] C[C@H](c1ccccc1)S(=O)(=O)CC[*:1]
CCOCCS(=O)(=O)[C@H](C)c1ccccc1 CCOC[*:1] C[C@H](c1ccccc1)S(=O)(=O)C[*:1]
CC(C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)N1CCOCC1 CC(C)[*:1] O=S(=O)(NC[C@@H](N1CCOCC1)[*:1])c1ccc(Br)cc1Cl
CC(C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)[*:1]
CC[C@@H](NC(=O)c1c(C(C)C)nn(C)c1Cl)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H](NC(=O)c1c(nn(C)c1Cl)C(C)C)[*:1]
CC[C@@H](NC(=O)c1c(C(C)C)nn(C)c1Cl)C(=O)N1CCOCC1 CC(C)[*:1] CC[C@@H](NC(=O)c1c(nn(C)c1Cl)[*:1])C(=O)N1CCOCC1
O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc(=O)n(Cc2ccncc2)c2CCCc12)N1CCN(CC1)[*:1]
O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)N1CCN(c2ccccc2)CC1 c1cc(ccn1)[*:1] O=C(CSc1nc(=O)n(C[*:1])c2CCCc12)N1CCN(CC1)c1ccccc1
O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)N1CCN(c2ccccc2)CC1 c1cc(ccn1)C[*:1] O=C(CSc1nc(=O)n(c2CCCc12)[*:1])N1CCN(CC1)c1ccccc1
COc1cc2nc3n(c(=O)c2cc1OC)CCCC/C3=C\c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COc1cc2nc3/C(=C/c4ccc(cc4)[*:1])CCCCn3c(=O)c2cc1OC
COc1cc2nc3n(c(=O)c2cc1OC)CCCC/C3=C\c1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] COc1cc2nc3C(=C[*:1])CCCCn3c(=O)c2cc1OC
CCOC(=O)C1(C)CCN(C(=O)c2[nH]nc(C3CC3)c2Cl)CC1 C1CC1[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)c1[nH]nc(c1Cl)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2[nH]nc(C3CC3)c2Cl)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)c1[nH]nc(c1Cl)C1CC1)[*:1]
Cc1nc([C@H]2CCCN2C(=O)CN2CCCC2=O)nc2c1CC(=O)N2CCc1ccccc1 O=C1CCCN1C[*:1] Cc1nc(nc2c1CC(=O)N2CCc1ccccc1)[C@H]1CCCN1C(=O)[*:1]
Cc1nc([C@H]2CCCN2C(=O)CN2CCCC2=O)nc2c1CC(=O)N2CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1nc(nc2c1CC(=O)N2[*:1])[C@H]1CCCN1C(=O)CN1CCCC1=O
Cc1nc([C@H]2CCCN2C(=O)CN2CCCC2=O)nc2c1CC(=O)N2CCc1ccccc1 O=C1CCCN1[*:1] Cc1nc(nc2c1CC(=O)N2CCc1ccccc1)[C@H]1CCCN1C(=O)C[*:1]
Cc1nc([C@H]2CCCN2C(=O)CN2CCCC2=O)nc2c1CC(=O)N2CCc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(nc2c1CC(=O)N2CC[*:1])[C@H]1CCCN1C(=O)CN1CCCC1=O
Cc1nc([C@H]2CCCN2C(=O)CN2CCCC2=O)nc2c1CC(=O)N2CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(nc2c1CC(=O)N2C[*:1])[C@H]1CCCN1C(=O)CN1CCCC1=O
CS(=O)(=O)C[C@@H](NC(=O)N1CCC[C@@H](O)C1)c1ccccc1 CS(=O)(=O)[*:1] O=C(N[C@H](C[*:1])c1ccccc1)N1CCC[C@@H](O)C1
CS(=O)(=O)C[C@@H](NC(=O)N1CCC[C@@H](O)C1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)C[C@@H](NC(=O)N1CCC[C@@H](O)C1)[*:1]
CS(=O)(=O)C[C@@H](NC(=O)N1CCC[C@@H](O)C1)c1ccccc1 CS(=O)(=O)C[*:1] O=C(N[C@@H](c1ccccc1)[*:1])N1CCC[C@@H](O)C1
CCC[C@H]([NH2+][C@@H]1CCCS[C@@H]1C)c1cccs1 CCC[*:1] C[C@H]1SCCC[C@H]1[NH2+][C@H](c1cccs1)[*:1]
CCC[C@H]([NH2+][C@@H]1CCCS[C@@H]1C)c1cccs1 c1csc(c1)[*:1] CCC[C@H]([NH2+][C@@H]1CCCS[C@@H]1C)[*:1]
CC(=O)c1ccn(CC(=O)Nc2cccc(Br)c2)c1 CC(=O)[*:1] O=C(Cn1ccc(c1)[*:1])Nc1cccc(Br)c1
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O Clc1ccc(cc1)[*:1] C[C@@H]([C@H](C)[*:1])N(C)C(=O)Cn1ccc(=O)[nH]c1=O
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O O=c1ccn(c(=O)[nH]1)[*:1] C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)C[*:1]
Cc1cc(NC(=O)Cc2noc(C(=O)NCc3cccc(Cl)c3)n2)no1 Clc1cccc(c1)C[*:1] Cc1cc(no1)NC(=O)Cc1noc(n1)C(=O)N[*:1]
Cc1cc(NC(=O)Cc2noc(C(=O)NCc3cccc(Cl)c3)n2)no1 Cc1cc(no1)[*:1] O=C(Cc1noc(n1)C(=O)NCc1cccc(Cl)c1)N[*:1]
Cc1cc(NC(=O)Cc2noc(C(=O)NCc3cccc(Cl)c3)n2)no1 Clc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)Cc1noc(n1)C(=O)NC[*:1]
OCC[C@H](CNc1ncnc2cccc(F)c12)c1ccccc1 c1ccc(cc1)[*:1] OCC[C@H](CNc1ncnc2cccc(F)c12)[*:1]
OCC[C@H](CNc1ncnc2cccc(F)c12)c1ccccc1 OCC[*:1] Fc1cccc2ncnc(NC[C@H](c3ccccc3)[*:1])c12
Cc1ccc(-c2nnc(CSCc3nc(C)cs3)o2)cc1 Cc1csc(n1)[*:1] Cc1ccc(cc1)-c1nnc(CSC[*:1])o1
Cc1ccc(-c2nnc(CSCc3nc(C)cs3)o2)cc1 Cc1csc(C[*:1])n1 Cc1ccc(cc1)-c1nnc(CS[*:1])o1
Cc1ccc(-c2nnc(CSCc3nc(C)cs3)o2)cc1 Cc1ccc(cc1)[*:1] Cc1csc(CSCc2nnc(o2)[*:1])n1
COc1cc(C(C)=O)ccc1OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C CC(=O)[*:1] COc1cc(ccc1OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C)[*:1]
O=C(Cn1cccn1)NCCOc1cccc(Cl)c1Cl c1cnn(c1)[*:1] O=C(C[*:1])NCCOc1cccc(Cl)c1Cl
O=C(Cn1cccn1)NCCOc1cccc(Cl)c1Cl c1cnn(c1)C[*:1] O=C(NCCOc1cccc(Cl)c1Cl)[*:1]
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nn(cc1/C=C/C(=O)N[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] O=C(/C=C/c1cn(nc1[*:1])-c1ccccc1)N[C@H]1CCS(=O)(=O)C1
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
Cc1nn(CC(=O)OCCc2cccs2)c(=O)c2ccccc12 c1csc(c1)[*:1] Cc1nn(CC(=O)OCC[*:1])c(=O)c2ccccc12
Cc1nn(CC(=O)OCCc2cccs2)c(=O)c2ccccc12 c1csc(c1)CC[*:1] Cc1nn(CC(=O)O[*:1])c(=O)c2ccccc12
Cc1nn(CC(=O)OCCc2cccs2)c(=O)c2ccccc12 c1csc(c1)C[*:1] Cc1nn(CC(=O)OC[*:1])c(=O)c2ccccc12
C=CCN(CC=C)C(=O)/C(C)=C\c1ccccc1 C=CC[*:1] C=CCN(C(=O)/C(C)=C\c1ccccc1)[*:1]
C=CCN(CC=C)C(=O)/C(C)=C\c1ccccc1 c1ccc(cc1)[*:1] C=CCN(CC=C)C(=O)C(C)=C[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C Clc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C
O=C(Nc1ccc(-c2cn3c(C(=O)N4CCCC4)csc3n2)cc1)c1ccccc1 O=C(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)-c1cn2c(csc2n1)[*:1])c1ccccc1
O=C(Nc1ccc(-c2cn3c(C(=O)N4CCCC4)csc3n2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1csc2nc(cn12)-c1ccc(cc1)NC(=O)[*:1])N1CCCC1
O=C(Nc1ccc(-c2cn3c(C(=O)N4CCCC4)csc3n2)cc1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(c1csc2nc(cn12)-c1ccc(cc1)[*:1])N1CCCC1
CC(=O)Nc1cc(NC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C
CC(=O)Nc1cc(NC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)ccc1C CC(C)(C)[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC(=O)Nc1cc(NC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)ccc1C Fc1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)N[C@H](C(C)(C)C)[*:1]
COC(=O)c1ccc(C[NH2+]CC[C@H]2CCCO2)[nH]1 COC(=O)[*:1] c1cc([nH]c1C[NH2+]CC[C@H]1CCCO1)[*:1]
COC(=O)c1ccc(C[NH2+]CC[C@H]2CCCO2)[nH]1 C1CO[C@H](C1)[*:1] COC(=O)c1ccc(C[NH2+]CC[*:1])[nH]1
COC(=O)c1ccc(C[NH2+]CC[C@H]2CCCO2)[nH]1 C1CO[C@H](C1)C[*:1] COC(=O)c1ccc(C[NH2+]C[*:1])[nH]1
CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(c1)[N+](=O)[O-])[*:1]
CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 CC(=O)N[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)C[C@@H](c1ccccc1)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 O=[N+]([O-])[*:1] CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(c1)[*:1])c1ccccc1
O=C(c1ccc(Cl)cc1Cl)N1CC(=O)N(CCc2ccccc2)C(=O)C1 Clc1ccc(c(Cl)c1)[*:1] O=C1CN(CC(=O)N1CCc1ccccc1)C(=O)[*:1]
O=C(c1ccc(Cl)cc1Cl)N1CC(=O)N(CCc2ccccc2)C(=O)C1 c1ccc(cc1)CC[*:1] O=C(c1ccc(Cl)cc1Cl)N1CC(=O)N(C(=O)C1)[*:1]
O=C(c1ccc(Cl)cc1Cl)N1CC(=O)N(CCc2ccccc2)C(=O)C1 c1ccc(cc1)C[*:1] O=C(c1ccc(Cl)cc1Cl)N1CC(=O)N(C[*:1])C(=O)C1
O=C(c1ccc(Cl)cc1Cl)N1CC(=O)N(CCc2ccccc2)C(=O)C1 c1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1Cl)N1CC(=O)N(CC[*:1])C(=O)C1
COc1ccc(Cl)cc1NC(=O)NC[C@@H](O)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(Cl)cc1NC(=O)NC[C@@H](O)[*:1]
COc1ccc(Cl)cc1NC(=O)NC[C@@H](O)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)NC[C@@H](O)C[*:1]
Cc1c(-c2cccs2)n[nH]c1C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 c1csc(c1)[*:1] Cc1c(n[nH]c1C(=O)Nc1ccc(cc1)-c1csc(n1)N1CCOCC1)[*:1]
Cc1c(-c2cccs2)n[nH]c1C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 C1CN(CCO1)[*:1] Cc1c(n[nH]c1C(=O)Nc1ccc(cc1)-c1csc(n1)[*:1])-c1cccs1
Cc1ccc2nnc(C#N)c(Nc3ccn(C)n3)c2c1 Cn1ccc(n1)[*:1] Cc1ccc2nnc(C#N)c(N[*:1])c2c1
C[C@@H](CCCO)NC(=O)N[C@H]1CC[C@@H](C)C[C@H]1C OCCC[*:1] C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)C[C@H]1C)[*:1]
C[C@@H](CCCO)NC(=O)N[C@H]1CC[C@@H](C)C[C@H]1C C[C@@H](CCCO)[*:1] C[C@@H]1CC[C@H](NC(=O)N[*:1])[C@H](C)C1
C[C@@H](CCCO)NC(=O)N[C@H]1CC[C@@H](C)C[C@H]1C OCC[*:1] C[C@@H](C[*:1])NC(=O)N[C@H]1CC[C@@H](C)C[C@H]1C
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[*:1]
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NC1CCCCC1 ClC(Cl)=C[*:1] CC1(C)[C@@H](C(=O)NC2CCCCC2)[C@@H]1[*:1]
C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 C1CN(CCO1)C[*:1] C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[*:1]
C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 C1CN(CCO1)[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1ccc(C#N)c(Cl)c1
Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Nc1ccccc1N1CCCC1
Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] C1CCN(C1)[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc1ccccc1[*:1]
C[C@H](O)C(=O)N1CCN(Cc2cnc3ccc(Br)cn23)CC1 C[C@H](O)[*:1] O=C(N1CCN(CC1)Cc1cnc2ccc(Br)cn12)[*:1]
Cc1noc(C)c1CN1CCN(Cc2cnc3cnccn23)CC1 Cc1noc(C)c1[*:1] c1cn2c(cnc2cn1)CN1CCN(CC1)C[*:1]
Cc1noc(C)c1CN1CCN(Cc2cnc3cnccn23)CC1 Cc1noc(C)c1C[*:1] c1cn2c(cnc2cn1)CN1CCN(CC1)[*:1]
Cc1ccsc1CNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 Cc1ccsc1[*:1] O=C(NC[*:1])[C@H]1CCCN1C(=O)Nc1ccccc1
Cc1ccsc1CNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 Cc1ccsc1C[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)Nc1ccccc1
Cc1ccsc1CNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1ccsc1CNC(=O)[C@H]1CCCN1C(=O)N[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C Cc1noc(C)c1[*:1] C[C@H]1[C@H](CCN1C(=O)N[C@@H](C)[*:1])C(=O)[O-]
Cc1noc(C)c1[C@H](C)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N1CC[C@H]([C@@H]1C)[*:1]
CCC(CC)[C@]1(CC(C)C)CCC[NH2+]1 CC(C)C[*:1] CCC(CC)[C@@]1(CCC[NH2+]1)[*:1]
CCC(CC)[C@]1(CC(C)C)CCC[NH2+]1 CC(C)[*:1] CCC(CC)[C@@]1(CCC[NH2+]1)C[*:1]
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC[C@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn(cc1[C@@H](C)NC[C@](C)(O)[*:1])C(C)(C)C
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC[C@](C)(O)c1ccc(F)cc1 CC(C)(C)[*:1] Cc1nn(cc1[C@@H](C)NC[C@](C)(O)c1ccc(F)cc1)[*:1]
CCCCC[C@H]1C[NH+]=C(N)N1c1cccc(Cl)c1 CCCC[*:1] NC1=[NH+]C[C@H](C[*:1])N1c1cccc(Cl)c1
CCCCC[C@H]1C[NH+]=C(N)N1c1cccc(Cl)c1 CCC[*:1] NC1=[NH+]C[C@H](CC[*:1])N1c1cccc(Cl)c1
CCCCC[C@H]1C[NH+]=C(N)N1c1cccc(Cl)c1 CCCCC[*:1] NC1=[NH+]C[C@@H](N1c1cccc(Cl)c1)[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc3c(c2=O)SCC3)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nc2CCSc2c1=O)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc3c(c2=O)SCC3)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nc2CCSc2c(=O)n1[*:1])Nc1ccc(Cl)cc1
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CCCCO1 C1CC[C@@H](C[*:1])OC1 Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[*:1]
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OC[*:1]
COc1ccc(C(=O)NC[C@@H](O)C2CCCCC2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)C(=O)NC[C@@H](O)[*:1]
Cc1cccc(NC(=O)C(=O)NCc2ccc(C)s2)c1 Cc1ccc(s1)[*:1] Cc1cccc(c1)NC(=O)C(=O)NC[*:1]
CCC[C@@H](C)C(=O)Nc1ccnc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCC[C@@H](C)C(=O)Nc1ccnc(c1)[*:1]
CCC[C@@H](C)C(=O)Nc1ccnc(C(=O)N(C)C)c1 CCC[*:1] C[C@@H](C(=O)Nc1ccnc(c1)C(=O)N(C)C)[*:1]
CCC[C@@H](C)C(=O)Nc1ccnc(C(=O)N(C)C)c1 CCC[C@@H](C)[*:1] CN(C)C(=O)c1cc(ccn1)NC(=O)[*:1]
Cc1cc2c(c(=O)n1CCO)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 OCC[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccccc3Cl)c2c(=O)n1[*:1]
Cc1cc2c(c(=O)n1CCO)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 Clc1ccccc1[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c2c(=O)n1CCO)[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O c1coc(c1)C[*:1] C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O c1coc(c1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
Cc1ccc2nc(SCC(=O)NNC(=O)C3CC3)[nH]c2c1 C1CC1[*:1] Cc1ccc2nc([nH]c2c1)SCC(=O)NNC(=O)[*:1]
CN(C(=O)NC1CC[NH+](C2CC2)CC1)C1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C(=O)NC1CC[NH+](CC1)C1CC1)C1CCC(CC1)[*:1]
O=C(N[C@@H]1CCS(=O)(=O)C1)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 Fc1ccc(cc1F)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)C1(CCOCC1)Cc1ccccc1[*:1]
CC(C)(C)N(Cc1ccccc1)C(=O)Cn1cc(Cl)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CC(C)(C)N(C(=O)Cn1cc(Cl)c(=O)[nH]c1=O)[*:1]
CC(C)(C)N(Cc1ccccc1)C(=O)Cn1cc(Cl)c(=O)[nH]c1=O CC(C)(C)[*:1] O=C(Cn1cc(Cl)c(=O)[nH]c1=O)N(Cc1ccccc1)[*:1]
CC(C)(C)N(Cc1ccccc1)C(=O)Cn1cc(Cl)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CC(C)(C)N(C[*:1])C(=O)Cn1cc(Cl)c(=O)[nH]c1=O
COc1ccc([C@@H]2CCCN2C(=O)c2cncc(Br)c2)cc1 Brc1cncc(c1)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)[*:1]
CC[C@H](C)[C@@H](NCc1ccc([O-])c[nH+]1)C(=O)OC CC[C@H](C)[*:1] COC(=O)[C@H](NCc1ccc([O-])c[nH+]1)[*:1]
CC[C@H](C)[C@@H](NCc1ccc([O-])c[nH+]1)C(=O)OC COC(=O)[*:1] CC[C@H](C)[C@@H](NCc1ccc([O-])c[nH+]1)[*:1]
CCOc1ccccc1NC(=O)c1sccc1-c1ccccc1 CCO[*:1] O=C(Nc1ccccc1[*:1])c1sccc1-c1ccccc1
CCOc1ccccc1NC(=O)c1sccc1-c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)c1sccc1[*:1]
CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C)n3)cs2)CC1 Cc1nc(no1)[*:1] CCOc1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)c1cc(cs1)[*:1]
CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C)n3)cs2)CC1 CCO[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C)n3)cs2)CC1 CCOc1ccccc1[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)/C=C\c2cc(C)ccc2OC)cc1 CNS(=O)(=O)[*:1] COc1ccc(C)cc1/C=C\C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)/C=C\c2cc(C)ccc2OC)cc1 COc1ccc(C)cc1[*:1] CNS(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)C=C[*:1]
CC(=O)c1ccc[n+](CC(=O)c2ccc(Cl)cc2)c1 CC(=O)[*:1] O=C(C[n+]1cccc(c1)[*:1])c1ccc(Cl)cc1
COc1ccc(C)cc1NC(=O)Cn1nc(N(C)C)c2ccccc2c1=O COc1ccc(C)cc1[*:1] CN(C)c1nn(CC(=O)N[*:1])c(=O)c2ccccc12
COc1ccc(C)cc1NC(=O)Cn1nc(N(C)C)c2ccccc2c1=O CN(C)[*:1] COc1ccc(C)cc1NC(=O)Cn1nc(c2ccccc2c1=O)[*:1]
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 CC(=O)[*:1] CC1OC(N)=C(C#N)[C@@H](C=1[*:1])c1ccc(Cl)cc1
COc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 c1coc(c1)[*:1] COc1cc(ccc1OCC(=O)N1N=C(C[C@@H]1[*:1])c1ccc(Cl)cc1)[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 O=[N+]([O-])[*:1] COc1cc(ccc1OCC(=O)N1N=C(C[C@H]1c1ccco1)c1ccc(Cl)cc1)[*:1]
COc1cc([N+](=O)[O-])ccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 Clc1ccc(cc1)[*:1] COc1cc(ccc1OCC(=O)N1N=C(C[C@H]1c1ccco1)[*:1])[N+](=O)[O-]
CC(=O)N[C@H]1CCCN(C(=O)Nc2ncc(C)s2)C1 Cc1cnc(s1)[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)N[*:1]
CC(=O)N[C@H]1CCCN(C(=O)Nc2ncc(C)s2)C1 CC(=O)N[*:1] Cc1cnc(NC(=O)N2CCC[C@@H](C2)[*:1])s1
FC(F)c1nnc2ccc(Nc3cnn(-c4ncccn4)c3)nn12 FC(F)[*:1] c1cnc(nc1)-n1cc(cn1)Nc1ccc2nnc(n2n1)[*:1]
FC(F)c1nnc2ccc(Nc3cnn(-c4ncccn4)c3)nn12 c1cnc(nc1)[*:1] FC(F)c1nnc2ccc(nn12)Nc1cnn(c1)[*:1]
Cc1cccc(NC(=O)[C@@H](C)Sc2nc3ncccc3o2)c1 Cc1cccc(c1)[*:1] C[C@@H](Sc1nc2ncccc2o1)C(=O)N[*:1]
CCOc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCOC)ccc1O CCO[*:1] COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(O)c(c1)[*:1]
CCOc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCOC)ccc1O COCC[*:1] CCOc1cc(ccc1O)[C@@H]1c2c(oc3c(C)cc(C)cc3c2=O)C(=O)N1C[*:1]
CCOc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCOC)ccc1O COCCC[*:1] CCOc1cc(ccc1O)[C@@H]1c2c(oc3c(C)cc(C)cc3c2=O)C(=O)N1[*:1]
CCOc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCOC)ccc1O CCOc1cc(ccc1O)[*:1] COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1[*:1]
CCOc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCCOC)ccc1O COC[*:1] CCOc1cc(ccc1O)[C@@H]1c2c(oc3c(C)cc(C)cc3c2=O)C(=O)N1CC[*:1]
Cc1ncc([C@H](C)NC[C@H](O)c2ccc(OC(C)C)cc2)s1 Cc1ncc(s1)[*:1] CC(C)Oc1ccc(cc1)[C@@H](O)CN[C@@H](C)[*:1]
Cc1ncc([C@H](C)NC[C@H](O)c2ccc(OC(C)C)cc2)s1 CC(C)[*:1] Cc1ncc(s1)[C@H](C)NC[C@H](O)c1ccc(cc1)O[*:1]
Cc1ncc([C@H](C)NC[C@H](O)c2ccc(OC(C)C)cc2)s1 CC(C)O[*:1] Cc1ncc(s1)[C@H](C)NC[C@H](O)c1ccc(cc1)[*:1]
CCCCSCC(=O)N1CCC[C@H](O)C1 CCCCS[*:1] O=C(C[*:1])N1CCC[C@H](O)C1
CCCCSCC(=O)N1CCC[C@H](O)C1 CCCC[*:1] O=C(CS[*:1])N1CCC[C@H](O)C1
CCCCSCC(=O)N1CCC[C@H](O)C1 CCC[*:1] O=C(CSC[*:1])N1CCC[C@H](O)C1
COC(=O)[C@H](C)Nc1ccc(F)cc1I COC(=O)[*:1] C[C@H](Nc1ccc(F)cc1I)[*:1]
C=CCN(C(=O)Cc1csc(-c2ccco2)n1)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C=CCN(C(=O)Cc1csc(n1)-c1ccco1)c1nc(cs1)[*:1]
C=CCN(C(=O)Cc1csc(-c2ccco2)n1)c1nc(-c2ccccc2)cs1 c1coc(c1)[*:1] C=CCN(C(=O)Cc1csc(n1)[*:1])c1nc(cs1)-c1ccccc1
C=CCN(C(=O)Cc1csc(-c2ccco2)n1)c1nc(-c2ccccc2)cs1 C=CC[*:1] O=C(Cc1csc(n1)-c1ccco1)N(c1nc(cs1)-c1ccccc1)[*:1]
CC(=O)Nc1ccccc1OCC(=O)N(CCC#N)c1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] CC(=O)Nc1ccccc1OCC(=O)N(CCC#N)[*:1]
CC(=O)Nc1ccccc1OCC(=O)N(CCC#N)c1cc(C)cc(C)c1 N#CCC[*:1] CC(=O)Nc1ccccc1OCC(=O)N(c1cc(C)cc(C)c1)[*:1]
CC(=O)Nc1ccccc1OCC(=O)N(CCC#N)c1cc(C)cc(C)c1 CC(=O)N[*:1] Cc1cc(C)cc(c1)N(CCC#N)C(=O)COc1ccccc1[*:1]
CC(=O)Nc1ccccc1OCC(=O)N(CCC#N)c1cc(C)cc(C)c1 N#CC[*:1] CC(=O)Nc1ccccc1OCC(=O)N(C[*:1])c1cc(C)cc(C)c1
CO[C@H](C)[C@H](O)CC1CCOCC1 CO[C@H](C)[*:1] O[C@H](CC1CCOCC1)[*:1]
CC(=O)N[C@H]1[C@H](OC2=C[C@H]3OC(=O)C=C(C)[C@H]3C=C2)O[C@H](CO)[C@@H](O)[C@@H]1O CC(=O)N[*:1] CC1=CC(=O)O[C@@H]2C=C(C=C[C@H]12)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1[*:1]
CNC(=O)CC1CCN(C(=O)NCc2ccccc2COC)CC1 CNC(=O)[*:1] COCc1ccccc1CNC(=O)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)NCc2ccccc2COC)CC1 CNC(=O)C[*:1] COCc1ccccc1CNC(=O)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)NCc2ccccc2COC)CC1 COC[*:1] CNC(=O)CC1CCN(CC1)C(=O)NCc1ccccc1[*:1]
COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCCCCC1 COCCn1nnnc1[*:1] Cc1cccc2cc(c(=O)[nH]c12)[C@@H]([NH+]1CCCCCC1)[*:1]
COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCCCCC1 COCC[*:1] Cc1cccc2cc(c(=O)[nH]c12)[C@H](c1nnnn1[*:1])[NH+]1CCCCCC1
COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCCCCC1 COC[*:1] Cc1cccc2cc(c(=O)[nH]c12)[C@H](c1nnnn1C[*:1])[NH+]1CCCCCC1
O=C(C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)c1cc(nc2ncnn12)[*:1])N1CCCCC1
O=C(C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1ccc(cc1)-c1cc(N2CCC(CC2)[*:1])n2ncnc2n1
Cc1nnc2ccc(N(C)[C@@H](C)c3cccnc3)nn12 c1cncc(c1)[*:1] Cc1nnc2ccc(nn12)N(C)[C@@H](C)[*:1]
Cc1cccc(OCC(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)c1 Cc1cccc(c1)O[*:1] O=C(Cc1ccccc1)Nc1cccc(c1)NC(=O)C[*:1]
Cc1cccc(OCC(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)c1 Cc1cccc(c1)OC[*:1] O=C(Cc1ccccc1)Nc1cccc(c1)NC(=O)[*:1]
Cc1cccc(OCC(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)OCC(=O)Nc1cccc(c1)NC(=O)[*:1]
Cc1cccc(OCC(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])Nc1cccc(c1)NC(=O)Cc1ccccc1
Cc1cccc(OCC(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)Nc1cccc(c1)NC(=O)C[*:1]
COC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 NC(=O)[*:1] COC(=O)Nc1sc2CCCCCc2c1[*:1]
COC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 COC(=O)N[*:1] NC(=O)c1c(sc2CCCCCc21)[*:1]
CC(C)(CNC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 C1CC1[*:1] CC(C)(CNC(=O)Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1
CC(C)(CNC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 O=C(NC1CC1)[*:1] CC(C)(CNC(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CC(C)(CNC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)Nc1ccc(cc1)C(=O)NC1CC1)[*:1]
N#Cc1c(F)cccc1NCCNC(=O)c1cc[n+]([O-])cc1 [O-][n+]1ccc(cc1)[*:1] N#Cc1c(F)cccc1NCCNC(=O)[*:1]
COc1cc(OC)c(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1Cl c1cncc(c1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)c1cc(nc2ccccc12)[*:1]
COC[C@H](C)NC(=O)Nc1ccccc1OC COC[*:1] COc1ccccc1NC(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)Nc1ccccc1OC COC[C@H](C)[*:1] COc1ccccc1NC(=O)N[*:1]
Clc1cccnc1N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] Clc1cccnc1N1CCO[C@H](C1)[*:1]
NC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc3ccccc3n2)C1 NC(=O)[*:1] c1ccc2nc(ccc2c1)CN1CC[C@H](C1)c1c(sc2ncccc12)[*:1]
COc1cccc(O[C@H](C)CNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)c1 COc1cccc(c1)[*:1] C[C@H](CNC(=O)N1C[C@H]2CC=CC[C@@H]2C1)O[*:1]
COC(=O)c1ccccc1C(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1 COC(=O)[*:1] CC(C)c1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)c1ccccc1[*:1]
COC(=O)c1ccccc1C(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1 CC(C)c1nc(no1)[*:1] COC(=O)c1ccccc1C(=O)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
COC(=O)c1ccccc1C(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1 COC(=O)c1ccccc1[*:1] CC(C)c1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
COC(=O)c1ccccc1C(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1 CC(C)[*:1] COC(=O)c1ccccc1C(=O)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2ccc(Oc3nccs3)cc2)C1 CC(C)(C)C[*:1] O=C(c1ccc(cc1)Oc1nccs1)N1CC[C@@H](C1)NC(=O)[*:1]
CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2ccc(Oc3nccs3)cc2)C1 CC(C)(C)[*:1] O=C(C[*:1])N[C@H]1CCN(C1)C(=O)c1ccc(cc1)Oc1nccs1
CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2ccc(Oc3nccs3)cc2)C1 CC(C)(C)CC(=O)N[*:1] O=C(c1ccc(cc1)Oc1nccs1)N1CC[C@@H](C1)[*:1]
CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2ccc(Oc3nccs3)cc2)C1 c1csc(n1)[*:1] CC(C)(C)CC(=O)N[C@H]1CCN(C1)C(=O)c1ccc(cc1)O[*:1]
CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2ccc(Oc3nccs3)cc2)C1 c1csc(n1)O[*:1] CC(C)(C)CC(=O)N[C@H]1CCN(C1)C(=O)c1ccc(cc1)[*:1]
CCc1c(C(=O)N(C)CCCS(C)(=O)=O)[nH]c(C)c1C(C)=O CS(=O)(=O)CC[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)N(C)C[*:1]
CCc1c(C(=O)N(C)CCCS(C)(=O)=O)[nH]c(C)c1C(C)=O CS(=O)(=O)C[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)N(C)CC[*:1]
CCc1c(C(=O)N(C)CCCS(C)(=O)=O)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)N(C)CCCS(C)(=O)=O
CCc1c(C(=O)N(C)CCCS(C)(=O)=O)[nH]c(C)c1C(C)=O CS(=O)(=O)[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)N(C)CCC[*:1]
CCc1c(C(=O)N(C)CCCS(C)(=O)=O)[nH]c(C)c1C(C)=O CS(=O)(=O)CCC[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)N(C)[*:1]
CS[C@@H](C)c1cccc(NC(=O)NCCc2nc(C)no2)c1 Cc1noc(n1)[*:1] CS[C@@H](C)c1cccc(c1)NC(=O)NCC[*:1]
CS[C@@H](C)c1cccc(NC(=O)NCCc2nc(C)no2)c1 Cc1noc(C[*:1])n1 CS[C@@H](C)c1cccc(c1)NC(=O)NC[*:1]
Cc1ccc(CN2C[C@H](C(=O)NCCC[NH+]3CCCCCC3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2C[C@H](C(=O)NCCC[NH+]3CCCCCC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(CC[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1 Cc1ccc(cc1)C[*:1] FC(F)n1ccnc1CN1CC[NH+](CC1)C[*:1]
Cc1ccc(CC[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1 FC(F)n1ccnc1[*:1] Cc1ccc(cc1)CC[NH+]1CCN(CC1)C[*:1]
Cc1ccc(CC[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1 FC(F)[*:1] Cc1ccc(cc1)CC[NH+]1CCN(CC1)Cc1nccn1[*:1]
Cc1ccc(CC[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1 Cc1ccc(cc1)[*:1] FC(F)n1ccnc1CN1CC[NH+](CC1)CC[*:1]
O=C(COc1ccc2ccccc2c1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(COc1ccc2ccccc2c1)N[*:1]
O=C(COc1ccc2ccccc2c1)NCC(F)(F)F FC(F)(F)[*:1] O=C(COc1ccc2ccccc2c1)NC[*:1]
COC(C)(C)c1noc(-c2ccc3c(c2)NC(=O)CO3)n1 COC(C)(C)[*:1] O=C1COc2ccc(cc2N1)-c1nc(no1)[*:1]
O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 O=S(=O)(N[*:1])c1ccccc1 O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C(c1ccc(cc1)NS(=O)(=O)c1ccccc1)N1CCN(CC1)[*:1]
O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)NS(=O)(=O)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)NS(=O)(=O)c1ccccc1)N1CCN(CC1)c1cccc(c1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Cn2c(C)c(C)sc2=O)C1 Cc1sc(=O)n(c1C)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)C[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Cn2c(C)c(C)sc2=O)C1 COC(=O)[*:1] Cc1sc(=O)n(CC(=O)N2CCC[C@H](C2)C(C)(C)[*:1])c1C
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Cn2c(C)c(C)sc2=O)C1 COC(=O)C(C)(C)[*:1] Cc1sc(=O)n(CC(=O)N2CCC[C@H](C2)[*:1])c1C
C#CCNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F FC(F)(F)[*:1] C#CCNC(=O)c1nnn(-c2ccccc2F)c1[*:1]
C#CCNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F C#CC[*:1] O=C(N[*:1])c1nnn(-c2ccccc2F)c1C(F)(F)F
C#CCNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F C#CCNC(=O)[*:1] Fc1ccccc1-n1nnc(c1C(F)(F)F)[*:1]
C#CCNC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F Fc1ccccc1[*:1] C#CCNC(=O)c1nnn(c1C(F)(F)F)[*:1]
COc1ccc(/C=C(\C#N)C(=O)NCc2ccc(C)s2)cc1 Cc1ccc(s1)[*:1] COc1ccc(/C=C(\C#N)C(=O)NC[*:1])cc1
COc1ccc(/C=C(\C#N)C(=O)NCc2ccc(C)s2)cc1 Cc1ccc(C[*:1])s1 COc1ccc(/C=C(\C#N)C(=O)N[*:1])cc1
Cc1nn(Cc2ccccc2)c(C)c1CNc1cncc(C(N)=O)n1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CNc1cncc(n1)C(N)=O
Cc1nn(Cc2ccccc2)c(C)c1CNc1cncc(C(N)=O)n1 NC(=O)[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNc1cncc(n1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNc1cncc(C(N)=O)n1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CNc1cncc(n1)C(N)=O)[*:1]
CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[C@@H]1c1ccccc1F FC(F)(F)[*:1] CN(Cc1ccccc1[*:1])C(=O)[C@@H]1C[C@@H]1c1ccccc1F
CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[C@H]1[*:1]
Cc1oc(-c2cccs2)nc1CC(=O)NCC1([C@@H](O)C(C)C)CC1 c1csc(c1)[*:1] Cc1oc(nc1CC(=O)NCC1(CC1)[C@@H](O)C(C)C)[*:1]
Cc1oc(-c2cccs2)nc1CC(=O)NCC1([C@@H](O)C(C)C)CC1 CC(C)[*:1] Cc1oc(nc1CC(=O)NCC1(CC1)[C@@H](O)[*:1])-c1cccs1
O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/C=C/c1ccccc1 Clc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])N/N=C/C=C/c1ccccc1
O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/C=C/c1ccccc1 Clc1ccc(cc1)C[*:1] O=C(C[NH+]1CCN(CC1)[*:1])N/N=C/C=C/c1ccccc1
O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 O=C(C[NH+]1CCN(CC1)Cc1ccc(Cl)cc1)NN=C[*:1]
O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/C=C/c1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1ccc(Cl)cc1)N/N=C/C=C[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)N[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)NC[*:1]
CS(=O)(=O)c1ccc(OCCc2ccc(OC(F)(F)F)cc2)cc1 FC(F)(F)O[*:1] CS(=O)(=O)c1ccc(cc1)OCCc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(OCCc2ccc(OC(F)(F)F)cc2)cc1 FC(F)(F)[*:1] CS(=O)(=O)c1ccc(cc1)OCCc1ccc(cc1)O[*:1]
CS(=O)(=O)c1ccc(OCCc2ccc(OC(F)(F)F)cc2)cc1 CS(=O)(=O)[*:1] FC(F)(F)Oc1ccc(cc1)CCOc1ccc(cc1)[*:1]
Cc1noc(C)c1CNS(=O)(=O)c1ccc(Cl)c(C[NH3+])c1 Cc1noc(C)c1[*:1] [NH3+]Cc1cc(ccc1Cl)S(=O)(=O)NC[*:1]
Cn1ncnc1CNC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1Cl Cn1ncnc1[*:1] O=C(NC[*:1])N[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
Cn1ncnc1CNC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1Cl Cn1ncnc1C[*:1] O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N[*:1]
Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(=O)[nH]1 Cc1ccc(c(=O)[nH]1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])[C@@H]1CCCO1
Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(=O)[nH]1 O=C(N[*:1])[C@@H]1CCCO1 Cc1ccc(C(=O)Nc2ccc(cc2)[*:1])c(=O)[nH]1
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cnn(C(C)(C)C)c2)C1 CC(C)(C)[*:1] C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cnn(c2)[*:1])C1
Cc1cc2occ(CC(=O)N(C)Cc3cccc(C#N)c3)c2cc1C N#Cc1cccc(c1)[*:1] Cc1cc2occ(CC(=O)N(C)C[*:1])c2cc1C
CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc3[nH]c(C)cc(=O)c3c2)c1 CC(=O)N[*:1] Cc1cc(=O)c2cc(ccc2[nH]1)C(=O)Nc1cc(ccc1Cl)[*:1]
CCNC1=NN=C(c2ccc(NC(=O)CC)cc2)CS1 CCC(=O)N[*:1] CCNC1=NN=C(CS1)c1ccc(cc1)[*:1]
O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NC[C@@H]1CCCO1 Brc1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])NC[C@@H]1CCCO1
O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(Cn1nnc(n1)-c1ccc(Br)cc1)NC[*:1]
O=C(Cn1nnc(-c2ccc(Br)cc2)n1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(Cn1nnc(n1)-c1ccc(Br)cc1)N[*:1]
CSc1cccc(NC(=O)C[NH2+]C2(c3nccs3)CCCC2)c1 c1csc(n1)[*:1] CSc1cccc(c1)NC(=O)C[NH2+]C1(CCCC1)[*:1]
CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 CCO[*:1] Cc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(c1)[*:1]
CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 O=C(c1ccc(Cl)cc1)[*:1] CCOc1cccc(c1)[C@@H]1C(=C([O-])C(=O)N1c1nnc(C)s1)[*:1]
CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 CCOc1cccc(c1)[*:1] Cc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1[*:1]
CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 Cc1nnc(s1)[*:1] CCOc1cccc(c1)[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1[*:1]
CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 Clc1ccc(cc1)[*:1] CCOc1cccc(c1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nnc(C)s1
CCOc1cccc2sc(N(C[C@H]3CCCO3)C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)nc12 C1CO[C@H](C1)[*:1] CCOc1cccc2sc(nc12)N(C[*:1])C(=O)[C@@H]1Oc2ccccc2O[C@H]1C
CCOc1cccc2sc(N(C[C@H]3CCCO3)C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)nc12 C1CO[C@H](C1)C[*:1] CCOc1cccc2sc(nc12)N(C(=O)[C@@H]1Oc2ccccc2O[C@H]1C)[*:1]
CCOc1cccc2sc(N(C[C@H]3CCCO3)C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)nc12 CCO[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C[C@H]1CCCO1)c1nc2c(cccc2s1)[*:1]
Cc1ccccc1C(=O)Nc1ccccc1OCC1CC1 Cc1ccccc1[*:1] O=C(Nc1ccccc1OCC1CC1)[*:1]
Cc1ccccc1C(=O)Nc1ccccc1OCC1CC1 C1CC1C[*:1] Cc1ccccc1C(=O)Nc1ccccc1O[*:1]
Cc1ccccc1C(=O)Nc1ccccc1OCC1CC1 C1CC1CO[*:1] Cc1ccccc1C(=O)Nc1ccccc1[*:1]
Cc1ccccc1C(=O)Nc1ccccc1OCC1CC1 C1CC1[*:1] Cc1ccccc1C(=O)Nc1ccccc1OC[*:1]
O=C(NCc1nnc(-c2ccccc2)o1)c1cc(-n2cccn2)ccc1Cl c1cnn(c1)[*:1] O=C(NCc1nnc(o1)-c1ccccc1)c1cc(ccc1Cl)[*:1]
O=C(NCc1nnc(-c2ccccc2)o1)c1cc(-n2cccn2)ccc1Cl c1ccc(cc1)[*:1] O=C(NCc1nnc(o1)[*:1])c1cc(ccc1Cl)-n1cccn1
[NH3+][C@H]1CCCCC[C@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1 O=C([O-])[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)N1CCO[C@H](C1)[*:1]
CC[C@H]1CC[C@@H]([NH+]2CCN(C3CCCCC3)CC2)C1 C1CCC(CC1)[*:1] CC[C@H]1CC[C@H](C1)[NH+]1CCN(CC1)[*:1]
C[C@@H](OC(=O)c1ccnc(Cl)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H](OC(=O)c1ccnc(Cl)c1)c1ccc(cc1)[*:1]
C[C@@H](OC(=O)c1ccnc(Cl)c1)c1ccc([N+](=O)[O-])cc1 Clc1cc(ccn1)[*:1] C[C@@H](OC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
CCCCO[C@@H](C)C(=O)Nc1c(F)cccc1Br CCC[*:1] C[C@H](OC[*:1])C(=O)Nc1c(F)cccc1Br
CCCCO[C@@H](C)C(=O)Nc1c(F)cccc1Br CCCC[*:1] C[C@H](O[*:1])C(=O)Nc1c(F)cccc1Br
CCCCO[C@@H](C)C(=O)Nc1c(F)cccc1Br CCCCO[*:1] C[C@@H](C(=O)Nc1c(F)cccc1Br)[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@@]12C(=N)NC(=O)N2C1CC1 C1CC1[*:1] CC(C)[C@@H]1CC[C@@H](C)C[C@@]12C(=N)NC(=O)N2[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@@]12C(=N)NC(=O)N2C1CC1 CC(C)[*:1] C[C@@H]1CC[C@H]([C@@]2(C1)C(=N)NC(=O)N2C1CC1)[*:1]
COc1cc(/C=C(/C#N)C(=O)N(C)c2ccccc2)c(SC)cc1OC c1ccc(cc1)[*:1] COc1cc(/C=C(/C#N)C(=O)N(C)[*:1])c(cc1OC)SC
CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1ccc3[nH]c(C)nc3c1)c1ccccc1O2 Cc1nc2cc(ccc2[nH]1)[*:1] CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)[*:1])c1ccccc1O2
CCOc1cc(C[NH+]2CCc3nn(C)c(=O)cc3C2)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(cc1[*:1])C[NH+]1CCc2nn(C)c(=O)cc2C1
C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](NC(=O)CCCc1nc2ccccc2s1)[*:1]
COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC=C[*:1])CC1
COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 C(=C[*:1])c1ccccc1 COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1]
COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N1CCN(C/C=C/c2ccccc2)CC1)[*:1]
O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)C(=O)NC1CC1 Fc1cccc(c1)[*:1] O=C(NNC(=O)C1(CCC1)[*:1])C(=O)NC1CC1
O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)C(=O)NC1CC1 C1CC1[*:1] O=C(NNC(=O)C1(CCC1)c1cccc(F)c1)C(=O)N[*:1]
Cc1ccc(NC(=O)NNC(=O)NCc2ncnn2C)c(Cl)c1 Cn1ncnc1C[*:1] Cc1ccc(NC(=O)NNC(=O)N[*:1])c(Cl)c1
Cc1ccc(NC(=O)NNC(=O)NCc2ncnn2C)c(Cl)c1 Cn1ncnc1[*:1] Cc1ccc(NC(=O)NNC(=O)NC[*:1])c(Cl)c1
COC(=O)/C(C#N)=C\Nc1cccc(C(=O)Nc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] COC(=O)/C(C#N)=C\Nc1cccc(c1)C(=O)N[*:1]
COC(=O)/C(C#N)=C\Nc1cccc(C(=O)Nc2cccc(C)c2)c1 COC(=O)[*:1] Cc1cccc(c1)NC(=O)c1cccc(c1)NC=C(C#N)[*:1]
COC(=O)/C(C#N)=C\Nc1cccc(C(=O)Nc2cccc(C)c2)c1 COC(=O)C(C#N)=C[*:1] Cc1cccc(c1)NC(=O)c1cccc(c1)N[*:1]
CC(C)N1CCO[C@@H](COc2ccc(F)cc2[C@H](C)[NH3+])C1 CC(C)[*:1] C[C@H]([NH3+])c1cc(F)ccc1OC[C@H]1CN(CCO1)[*:1]
CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)C(N)=O CC[C@@H](C)[*:1] NC(=O)c1ccc(/C=C/C(=O)N[C@@H](C(N)=O)[*:1])cc1
CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccc(cc1)[*:1])C(N)=O
CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccc(cc1)C(N)=O)[*:1]
COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1 COc1cc(F)ccc1[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)Cn1nc(ccc1=O)[*:1]
O=C(Nc1cccc(OCc2cccc(F)c2)c1)N(CCO)C1CC1 Fc1cccc(c1)C[*:1] O=C(Nc1cccc(c1)O[*:1])N(CCO)C1CC1
O=C(Nc1cccc(OCc2cccc(F)c2)c1)N(CCO)C1CC1 OCC[*:1] O=C(Nc1cccc(c1)OCc1cccc(F)c1)N(C1CC1)[*:1]
O=C(Nc1cccc(OCc2cccc(F)c2)c1)N(CCO)C1CC1 Fc1cccc(c1)[*:1] O=C(Nc1cccc(c1)OC[*:1])N(CCO)C1CC1
O=C(Nc1cccc(OCc2cccc(F)c2)c1)N(CCO)C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)OCc1cccc(F)c1)N(CCO)[*:1]
COC(=O)c1cc(C)ccc1NC(=O)c1cccc(Nc2cnn(C)c2)c1 COC(=O)[*:1] Cc1ccc(NC(=O)c2cccc(c2)Nc2cnn(C)c2)c(c1)[*:1]
COC(=O)c1cc(C)ccc1NC(=O)c1cccc(Nc2cnn(C)c2)c1 Cn1cc(cn1)N[*:1] COC(=O)c1cc(C)ccc1NC(=O)c1cccc(c1)[*:1]
COC(=O)c1cc(C)ccc1NC(=O)c1cccc(Nc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] COC(=O)c1cc(C)ccc1NC(=O)c1cccc(c1)N[*:1]
COc1ccc(Nc2nnc(SCC(=O)c3ccc[nH]3)s2)cc1 c1c[nH]c(c1)[*:1] COc1ccc(cc1)Nc1nnc(SCC(=O)[*:1])s1
COc1ccc(Nc2nnc(SCC(=O)c3ccc[nH]3)s2)cc1 O=C(c1ccc[nH]1)[*:1] COc1ccc(cc1)Nc1nnc(SC[*:1])s1
C#CC(C)(C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C#CC(C)(C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)[*:1]
C#CC(C)(C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 C#CC(C)(C)[*:1] O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N[*:1]
C#CC(C)(C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 Brc1ccc(cc1)[*:1] C#CC(C)(C)NC(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
C#CC(C)(C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 C#CC(C)(C)NC(=O)[*:1] O=S(=O)(c1ccccc1)N(C[*:1])c1ccc(Br)cc1
COC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(OC3CCC3)c2)c1 C1CC(C1)O[*:1] COC(=O)c1ccc(Cl)c(c1)NC(=O)c1ccnc(c1)[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(OC3CCC3)c2)c1 C1CC(C1)[*:1] COC(=O)c1ccc(Cl)c(c1)NC(=O)c1ccnc(c1)O[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(OC3CCC3)c2)c1 COC(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1ccnc(c1)OC1CCC1
COc1ccc(CN2CCN(C(=O)Cn3cncn3)CC2)cc1F c1ncn(n1)[*:1] COc1ccc(cc1F)CN1CCN(CC1)C(=O)C[*:1]
COc1ccc(CN2CCN(C(=O)Cn3cncn3)CC2)cc1F c1ncn(C[*:1])n1 COc1ccc(cc1F)CN1CCN(CC1)C(=O)[*:1]
C[C@@H]1CN(C2CCN(c3c(C#N)cnc4ccc(Cl)cc34)CC2)CCO1 C[C@@H]1CN(CCO1)[*:1] N#Cc1cnc2ccc(Cl)cc2c1N1CCC(CC1)[*:1]
CC1(C)C(=O)N([C@H]2COC[C@@H]2C(=O)[O-])S1(=O)=O O=C([O-])[*:1] CC1(C)C(=O)N([C@H]2COC[C@H]2[*:1])S1(=O)=O
C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)c1n[nH]c(=O)c2ccccc12 CC(C)(C)[*:1] C[C@H](COc1ccc(cc1)[*:1])NC(=O)c1n[nH]c(=O)c2ccccc12
Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@H](C)C(=O)[O-])ccc12 c1ccc(cc1)C[*:1] Cc1c(c(=O)oc2c(C)c(ccc12)O[C@H](C)C(=O)[O-])[*:1]
Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@H](C)C(=O)[O-])ccc12 c1ccc(cc1)[*:1] Cc1c(C[*:1])c(=O)oc2c(C)c(ccc12)O[C@H](C)C(=O)[O-]
Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@H](C)C(=O)[O-])ccc12 O=C([O-])[*:1] Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(ccc12)O[C@H](C)[*:1]
CC(C)[C@H](C#N)OC(=O)c1cccc2cn[nH]c12 CC(C)[*:1] N#C[C@H](OC(=O)c1cccc2cn[nH]c12)[*:1]
COC[C@@H]1CCN(C(=O)c2sc(C)c(Br)c2OC)C1 COC[*:1] COc1c(sc(C)c1Br)C(=O)N1CC[C@H](C1)[*:1]
CC1(C)Cc2c(c(N3CCOCC3)[nH+]c3sc(C(=O)Nc4ccccc4Cl)c(N)c23)CO1 Clc1ccccc1[*:1] CC1(C)Cc2c(CO1)c([nH+]c1sc(C(=O)N[*:1])c(N)c21)N1CCOCC1
CC1(C)Cc2c(c(N3CCOCC3)[nH+]c3sc(C(=O)Nc4ccccc4Cl)c(N)c23)CO1 C1CN(CCO1)[*:1] CC1(C)Cc2c(CO1)c([nH+]c1sc(C(=O)Nc3ccccc3Cl)c(N)c21)[*:1]
CC1(C)Cc2c(c(N3CCOCC3)[nH+]c3sc(C(=O)Nc4ccccc4Cl)c(N)c23)CO1 O=C(Nc1ccccc1Cl)[*:1] CC1(C)Cc2c(CO1)c([nH+]c1sc(c(N)c21)[*:1])N1CCOCC1
CC(C)=CCCc1cc(C(=O)NC2=NCCS2)c2ccccc2n1 CC(C)=C[*:1] O=C(NC1=NCCS1)c1cc(CC[*:1])nc2ccccc12
CC(C)=CCCc1cc(C(=O)NC2=NCCS2)c2ccccc2n1 CC(C)=CC[*:1] O=C(NC1=NCCS1)c1cc(C[*:1])nc2ccccc12
CC(C)=CCCc1cc(C(=O)NC2=NCCS2)c2ccccc2n1 CC(C)=CCC[*:1] O=C(NC1=NCCS1)c1cc(nc2ccccc12)[*:1]
CCC[NH+](Cc1cccc(C#N)c1)Cc1nnc(-c2ccccc2Cl)o1 N#Cc1cccc(c1)[*:1] CCC[NH+](Cc1nnc(o1)-c1ccccc1Cl)C[*:1]
CCC[NH+](Cc1cccc(C#N)c1)Cc1nnc(-c2ccccc2Cl)o1 Clc1ccccc1[*:1] CCC[NH+](Cc1cccc(C#N)c1)Cc1nnc(o1)[*:1]
CC(C)Nc1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 CC(C)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)c1csc(n1)N[*:1]
CC(C)Nc1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 O=S(=O)(N1CCCC1)[*:1] CC(C)Nc1nc(cs1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)Nc1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 CC(C)N[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)c1csc(n1)[*:1]
CCO[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 CCO[*:1] O=C(c1cnn(-c2ccccc2)c1C1CC1)N1CCC[C@@H](C1)[*:1]
CCO[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 C1CC1[*:1] CCO[C@H]1CCCN(C1)C(=O)c1cnn(-c2ccccc2)c1[*:1]
CCO[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 c1ccc(cc1)[*:1] CCO[C@H]1CCCN(C1)C(=O)c1cnn(c1C1CC1)[*:1]
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CNc2ccccc2C#N)cc1OC N#Cc1ccccc1N[*:1] COc1ccc(cc1OC)[C@H]1CC(=NN1C(=O)C[*:1])c1cccs1
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CNc2ccccc2C#N)cc1OC COc1ccc(cc1OC)[*:1] N#Cc1ccccc1NCC(=O)N1N=C(C[C@@H]1[*:1])c1cccs1
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CNc2ccccc2C#N)cc1OC N#Cc1ccccc1[*:1] COc1ccc(cc1OC)[C@H]1CC(=NN1C(=O)CN[*:1])c1cccs1
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CNc2ccccc2C#N)cc1OC N#Cc1ccccc1NC[*:1] COc1ccc(cc1OC)[C@H]1CC(=NN1C(=O)[*:1])c1cccs1
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CNc2ccccc2C#N)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)[C@H]1CC(=NN1C(=O)CNc1ccccc1C#N)[*:1]
Cc1noc(NC(=O)Cc2nc(-c3ccccc3)oc2C)n1 Cc1noc(n1)[*:1] Cc1oc(nc1CC(=O)N[*:1])-c1ccccc1
Cc1noc(NC(=O)Cc2nc(-c3ccccc3)oc2C)n1 c1ccc(cc1)[*:1] Cc1noc(n1)NC(=O)Cc1nc(oc1C)[*:1]
C#CCOc1ccc(N(C)C(=O)c2cn(C)nc2C(C)(C)C)cc1 CC(C)(C)[*:1] C#CCOc1ccc(cc1)N(C)C(=O)c1cn(C)nc1[*:1]
C#CCOc1ccc(N(C)C(=O)c2cn(C)nc2C(C)(C)C)cc1 C#CCO[*:1] CN(C(=O)c1cn(C)nc1C(C)(C)C)c1ccc(cc1)[*:1]
C#CCOc1ccc(N(C)C(=O)c2cn(C)nc2C(C)(C)C)cc1 C#CC[*:1] CN(C(=O)c1cn(C)nc1C(C)(C)C)c1ccc(cc1)O[*:1]
CC(C)Oc1cccc(/C=C/C(=O)NCc2ccc[nH]2)c1 CC(C)[*:1] O=C(/C=C/c1cccc(c1)O[*:1])NCc1ccc[nH]1
CC(C)Oc1cccc(/C=C/C(=O)NCc2ccc[nH]2)c1 c1c[nH]c(c1)C[*:1] CC(C)Oc1cccc(/C=C/C(=O)N[*:1])c1
CC(C)Oc1cccc(/C=C/C(=O)NCc2ccc[nH]2)c1 CC(C)O[*:1] O=C(/C=C/c1cccc(c1)[*:1])NCc1ccc[nH]1
CC(C)Oc1cccc(/C=C/C(=O)NCc2ccc[nH]2)c1 c1c[nH]c(c1)[*:1] CC(C)Oc1cccc(/C=C/C(=O)NC[*:1])c1
CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccnc(Cl)c2)cc1 CC[C@H](C)NC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccnc(Cl)c1
CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccnc(Cl)c2)cc1 Clc1cc(ccn1)[*:1] CC[C@H](C)NC(=O)c1ccc(cc1)CNC(=O)[*:1]
CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccnc(Cl)c2)cc1 CC[C@H](C)[*:1] O=C(NCc1ccc(cc1)C(=O)N[*:1])c1ccnc(Cl)c1
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1ccccc1
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O Cc1cccc(C)c1OC[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)[*:1])C1=O)c1ccc2OCCOc2c1
Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O c1cc2OCCOc2cc1[*:1] Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O Cc1cccc(C)c1O[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)C[*:1])C1=O)c1ccc2OCCOc2c1
Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O Cc1cccc(C)c1[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)CO[*:1])C1=O)c1ccc2OCCOc2c1
C[C@](O)(CNC(=O)Cc1ccccc1F)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@](O)(CNC(=O)Cc1ccccc1F)[*:1]
C[C@](O)(CNC(=O)Cc1ccccc1F)CN1CCOCC1 Fc1ccccc1[*:1] C[C@](O)(CNC(=O)C[*:1])CN1CCOCC1
C[C@](O)(CNC(=O)Cc1ccccc1F)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@](O)(CNC(=O)Cc1ccccc1F)C[*:1]
Cc1cc(C)nc(-n2nc(C)c3c2N(Cc2ccccc2Cl)C(=O)C[C@H]3c2ccccc2)n1 Cc1cc(C)nc(n1)[*:1] Cc1nn(c2c1[C@@H](CC(=O)N2Cc1ccccc1Cl)c1ccccc1)[*:1]
Cc1cc(C)nc(-n2nc(C)c3c2N(Cc2ccccc2Cl)C(=O)C[C@H]3c2ccccc2)n1 Clc1ccccc1C[*:1] Cc1cc(C)nc(n1)-n1nc(C)c2c1N(C(=O)C[C@H]2c1ccccc1)[*:1]
Cc1cc(C)nc(-n2nc(C)c3c2N(Cc2ccccc2Cl)C(=O)C[C@H]3c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)-n1nc(C)c2c1N(Cc1ccccc1Cl)C(=O)C[C@@H]2[*:1]
Cc1cc(C)nc(-n2nc(C)c3c2N(Cc2ccccc2Cl)C(=O)C[C@H]3c2ccccc2)n1 Clc1ccccc1[*:1] Cc1cc(C)nc(n1)-n1nc(C)c2c1N(C[*:1])C(=O)C[C@H]2c1ccccc1
COC(=O)c1ccc(C)c(NC(=O)c2c(C)nn(C)c2C)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)c1c(C)nn(C)c1C)[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 c1cn(cn1)[*:1] COc1ccccc1[C@H](C)N(C)C(=O)NCc1ccc(c(F)c1)[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 COc1ccccc1[*:1] C[C@H](N(C)C(=O)NCc1ccc(c(F)c1)-n1ccnc1)[*:1]
COc1ccc(Br)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 COc1ccc(Br)c(c1)[*:1] O=C(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
COc1ccc(Br)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 FC(F)(F)[*:1] COc1ccc(Br)c(c1)C(=O)N1CCN(CC1)c1ccc(cn1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccccc1C
COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1[N+](=O)[O-] Cc1ccccc1[*:1] COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N[*:1]
Cc1ccc(F)c(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 Fc1cc(ccc1Cl)[*:1] Cc1ccc(F)c(c1)NC(=O)N[C@@H]1CCO[C@H]1[*:1]
Cc1ccc(F)c(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 Cc1ccc(F)c(c1)[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
[NH2+]=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] [NH2+]=c1oc2ccc3ccccc3c2cc1C(=O)N[*:1]
C[C@H]1C[C@H](C)CN(C(=O)[C@@H](C)N2CCN(c3ccccc3F)CC2)C1 Fc1ccccc1[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)[C@@H](C)N1CCN(CC1)[*:1]
CN(C[C@@H]1CCCOC1)C(=O)c1csc(C#CCN)c1 NCC#C[*:1] CN(C[C@@H]1CCCOC1)C(=O)c1csc(c1)[*:1]
CN(C[C@@H]1CCCOC1)C(=O)c1csc(C#CCN)c1 C1COC[C@@H](C1)[*:1] CN(C[*:1])C(=O)c1csc(C#CCN)c1
O=C(C[S@](=O)c1cccc(F)c1)Nc1cccc(C(F)(F)F)c1 Fc1cccc(c1)[*:1] O=C(C[S@](=O)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(C[S@](=O)c1cccc(F)c1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(C[S@](=O)c1cccc(F)c1)Nc1cccc(c1)[*:1]
CC1(C)CC(=O)c2sc(NC(=O)CCCCNC(N)=O)nc2C1 NC(=O)NCCC[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)C[*:1]
CC1(C)CC(=O)c2sc(NC(=O)CCCCNC(N)=O)nc2C1 NC(=O)NC[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)CCC[*:1]
CC1(C)CC(=O)c2sc(NC(=O)CCCCNC(N)=O)nc2C1 NC(=O)N[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)CCCC[*:1]
CC1(C)CC(=O)c2sc(NC(=O)CCCCNC(N)=O)nc2C1 NC(=O)NCC[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)CC[*:1]
CCOC(=O)C1=C(C)N(C)c2sc(-c3ccccc3)c([O-])[n+]2[C@@H]1c1ccccc1F c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N(C)c2sc(c([O-])[n+]2[C@@H]1c1ccccc1F)[*:1]
CCOC(=O)C1=C(C)N(C)c2sc(-c3ccccc3)c([O-])[n+]2[C@@H]1c1ccccc1F CCOC(=O)[*:1] CC1=C([C@@H](c2ccccc2F)[n+]2c(sc(-c3ccccc3)c2[O-])N1C)[*:1]
CCOC(=O)C1=C(C)N(C)c2sc(-c3ccccc3)c([O-])[n+]2[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CCOC(=O)C1=C(C)N(C)c2sc(-c3ccccc3)c([O-])[n+]2[C@H]1[*:1]
COCSc1cc(Br)ccc1N COC[*:1] Nc1ccc(Br)cc1S[*:1]
COCSc1cc(Br)ccc1N COCS[*:1] Nc1ccc(Br)cc1[*:1]
Fc1ccccc1[C@H]1Oc2ccccc2C2=Nc3nnnn3[C@H](c3cccnc3)[C@H]21 Fc1ccccc1[*:1] c1cncc(c1)[C@@H]1[C@@H]2C(=Nc3nnnn31)c1ccccc1O[C@@H]2[*:1]
Fc1ccccc1[C@H]1Oc2ccccc2C2=Nc3nnnn3[C@H](c3cccnc3)[C@H]21 c1cncc(c1)[*:1] Fc1ccccc1[C@H]1Oc2ccccc2C2=Nc3nnnn3[C@H]([C@H]21)[*:1]
O=C(CCc1nc(-c2ccncc2)no1)N[C@@H]1CCS(=O)(=O)C1 c1cc(ccn1)[*:1] O=C(CCc1nc(no1)[*:1])N[C@@H]1CCS(=O)(=O)C1
C[C@@H](Sc1nc2ccccc2n1C)C(=O)c1ccc(NS(C)(=O)=O)cc1 CS(=O)(=O)N[*:1] C[C@@H](Sc1nc2ccccc2n1C)C(=O)c1ccc(cc1)[*:1]
O=C(c1ccccc1Oc1ccccc1)N1CCO[C@@]2(C[NH2+]CCOC2)C1 c1ccc(cc1)[*:1] O=C(c1ccccc1O[*:1])N1CCO[C@@]2(C[NH2+]CCOC2)C1
O=C(c1ccccc1Oc1ccccc1)N1CCO[C@@]2(C[NH2+]CCOC2)C1 c1ccc(cc1)O[*:1] O=C(c1ccccc1[*:1])N1CCO[C@@]2(C[NH2+]CCOC2)C1
Cc1nc(C)c(C(=O)Nc2cccc3c2C[NH+](CCC(C)C)C3)o1 CC(C)C[*:1] Cc1nc(C)c(o1)C(=O)Nc1cccc2C[NH+](Cc21)C[*:1]
Cc1nc(C)c(C(=O)Nc2cccc3c2C[NH+](CCC(C)C)C3)o1 Cc1nc(C)c(o1)[*:1] CC(C)CC[NH+]1Cc2cccc(NC(=O)[*:1])c2C1
Cc1nc(C)c(C(=O)Nc2cccc3c2C[NH+](CCC(C)C)C3)o1 CC(C)[*:1] Cc1nc(C)c(o1)C(=O)Nc1cccc2C[NH+](CC[*:1])Cc21
Cc1nc(C)c(C(=O)Nc2cccc3c2C[NH+](CCC(C)C)C3)o1 CC(C)CC[*:1] Cc1nc(C)c(o1)C(=O)Nc1cccc2C[NH+](Cc21)[*:1]
CCCC(=O)Nc1cccc(NC(=O)C2=CCCCO2)c1 CCC[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])C1=CCCCO1
CCCC(=O)Nc1cccc(NC(=O)C2=CCCCO2)c1 CCCC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])C1=CCCCO1
CC(C)(C)C1C[NH+](CCCOC2CC[NH2+]CC2)C1 CC(C)(C)[*:1] C(COC1CC[NH2+]CC1)C[NH+]1CC(C1)[*:1]
CC(C)(C)C1C[NH+](CCCOC2CC[NH2+]CC2)C1 C1CC(CC[NH2+]1)[*:1] CC(C)(C)C1C[NH+](CCCO[*:1])C1
Cc1n[nH]c(C(=O)[O-])c1Br O=C([O-])[*:1] Cc1n[nH]c(c1Br)[*:1]
O=C(NCC(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1)c1ccccc1 O=C(NC[*:1])c1ccccc1 O=C(N1CCN(CC1)c1ccnc(n1)N1CCOCC1)[*:1]
O=C(NCC(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(C[*:1])N1CCN(CC1)c1ccnc(n1)N1CCOCC1
O=C(NCC(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1ccnc(n1)N1CCOCC1
O=C(NCC(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1)c1ccccc1 C1CN(CCO1)[*:1] O=C(NCC(=O)N1CCN(CC1)c1ccnc(n1)[*:1])c1ccccc1
CCN(Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1)C(C)=O CCN(C(C)=O)[*:1] O=C(Nc1cccc(c1)C[*:1])C(=O)N1C[C@@H]2CCCC[C@H]2C1
CCN(Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1)C(C)=O CCN(C[*:1])C(C)=O O=C(Nc1cccc(c1)[*:1])C(=O)N1C[C@@H]2CCCC[C@H]2C1
C[C@H](NC(=O)C(=O)Nc1cccc([S@](C)=O)c1)c1ccccc1Cl C[S@](=O)[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)[*:1])c1ccccc1Cl
C[C@H](NC(=O)C(=O)Nc1cccc([S@](C)=O)c1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)[S@](C)=O)[*:1]
CCCCc1nnc(NC(=O)N(C)Cc2ncnn2C)s1 Cn1ncnc1[*:1] CCCCc1nnc(NC(=O)N(C)C[*:1])s1
CCCCc1nnc(NC(=O)N(C)Cc2ncnn2C)s1 CCCC[*:1] CN(Cc1ncnn1C)C(=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)N(C)Cc2ncnn2C)s1 CCC[*:1] CN(Cc1ncnn1C)C(=O)Nc1nnc(C[*:1])s1
CCCCc1nnc(NC(=O)N(C)Cc2ncnn2C)s1 Cn1ncnc1C[*:1] CCCCc1nnc(NC(=O)N(C)[*:1])s1
CCC[C@@H]1C[C@@H]1NC(=O)c1cc(S(N)(=O)=O)c(C)o1 NS(=O)(=O)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)c1cc(c(C)o1)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1cc(S(N)(=O)=O)c(C)o1 CCC[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)N[C@H]1C[C@H]1[*:1]
O=C1C[C@H](C(=O)Nc2ccc(I)cc2)c2ccccc2N1 Ic1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])c2ccccc2N1
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1cccc(C)c1 CCOC(=O)[*:1] Cc1cccc(c1)[C@@H]1NC(=NC(=O)[C@@H]1[*:1])N1CCN(CC1)c1ccccc1F
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1cccc(C)c1 Cc1cccc(c1)[*:1] CCOC(=O)[C@H]1C(=O)N=C(N[C@@H]1[*:1])N1CCN(CC1)c1ccccc1F
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1cccc(C)c1 Fc1ccccc1[*:1] CCOC(=O)[C@H]1C(=O)N=C(N[C@H]1c1cccc(C)c1)N1CCN(CC1)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC(C)(C)[NH+](C)C Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NNC(=O)NCC(C)(C)[NH+](C)C
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC(C)(C)[NH+](C)C Fc1ccccc1O[*:1] C[C@H](C(=O)NNC(=O)NCC(C)(C)[NH+](C)C)[*:1]
COc1cccc(N(CC(=O)Nc2cc(C)n[nH]2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 COc1cccc(c1)[*:1] Cc1cc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)[*:1])[nH]n1
COc1cccc(N(CC(=O)Nc2cc(C)n[nH]2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 Cc1cc([nH]n1)[*:1] COc1cccc(c1)N(CC(=O)N[*:1])C1=N[C@H]2CS(=O)(=O)C[C@@H]2S1
COc1cccc(N(CC(=O)Nc2cc(C)n[nH]2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 Cc1cc(NC(=O)[*:1])[nH]n1 COc1cccc(c1)N(C[*:1])C1=N[C@H]2CS(=O)(=O)C[C@@H]2S1
CN1CCO[C@H]2CN(Cc3ccc([N+](=O)[O-])c(O)c3)C[C@@H]21 O=[N+]([O-])[*:1] CN1CCO[C@H]2CN(Cc3ccc(c(O)c3)[*:1])C[C@@H]21
Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(C)c(C)c2)CC3)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(C)c(C)c2)CC3)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
CCS(=O)(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 FC(F)O[*:1] CCS(=O)(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCS(=O)(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 CCS(=O)(=O)N[*:1] C[C@@H](c1ccc(cc1)OC(F)F)[*:1]
CCS(=O)(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 FC(F)[*:1] CCS(=O)(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
CCCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 CCCCNC(=O)[*:1] O=C([C@@H]1CCCC[C@H]1[*:1])N1CCc2ccccc21
CCCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 CCC[*:1] O=C(NC[*:1])[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21
CCCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 CCCC[*:1] O=C(N[*:1])[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21
N#C/C(=C\c1cccs1)c1nc(=O)c2ccccc2s1 c1csc(c1)[*:1] N#CC(=C[*:1])c1nc(=O)c2ccccc2s1
Cc1c(-c2ccccc2)oc2c(C(=O)NCCO)cccc2c1=O c1ccc(cc1)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)NCCO)[*:1]
Cc1c(-c2ccccc2)oc2c(C(=O)NCCO)cccc2c1=O OCC[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)N[*:1])-c1ccccc1
Cc1c(-c2ccccc2)oc2c(C(=O)NCCO)cccc2c1=O O=C(NCCO)[*:1] Cc1c(oc2c(cccc2c1=O)[*:1])-c1ccccc1
COCCNc1ncnc(Oc2cccc3ccccc23)c1N COC[*:1] Nc1c(ncnc1Oc1cccc2ccccc12)NC[*:1]
COCCNc1ncnc(Oc2cccc3ccccc23)c1N COCC[*:1] Nc1c(ncnc1Oc1cccc2ccccc12)N[*:1]
COCCNc1ncnc(Oc2cccc3ccccc23)c1N COCCN[*:1] Nc1c(ncnc1[*:1])Oc1cccc2ccccc12
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)C(C)(C)C)sc2c1 C1CO[C@@H](C1)C[*:1] Cc1ccc2nc(sc2c1)N(C(=O)C(C)(C)C)[*:1]
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)C(C)(C)C)sc2c1 CC(C)(C)[*:1] Cc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)[*:1]
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)C(C)(C)C)sc2c1 C1CO[C@@H](C1)[*:1] Cc1ccc2nc(sc2c1)N(C[*:1])C(=O)C(C)(C)C
Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 Cc1cccc(c1)[*:1] Nc1cc(=O)nc(SCC(=O)Nc2ccc(cc2)C(F)(F)F)n1[*:1]
Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 FC(F)(F)c1ccc(cc1)[*:1] Cc1cccc(c1)-n1c(N)cc(=O)nc1SCC(=O)N[*:1]
Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] Cc1cccc(c1)-n1c(N)cc(=O)nc1SCC(=O)Nc1ccc(cc1)[*:1]
Cc1c(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)noc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)noc1[*:1]
Cc1c(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)noc1-c1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1c(CN2C(=O)NC(C2=O)(c2ccccc2)[*:1])noc1-c1ccc(F)cc1
CC(C)(CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)[*:1]
CC(C)(CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)c1ccccc1 NC(=O)[*:1] CC(C)(CC(=O)N1Cc2ccccc2C[C@@H]1[*:1])c1ccccc1
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(cc1)NS(=O)(=O)[*:1]
CC(=O)N1CC[C@@H](C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)C1 CC(C)[*:1] CC(=O)N1CC[C@H](C1)C(=O)NCc1cnc(OC[*:1])c(Cl)c1
CC(=O)N1CC[C@@H](C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)C1 CC(=O)N1CC[C@@H](C1)[*:1] CC(C)COc1ncc(cc1Cl)CNC(=O)[*:1]
CC(=O)N1CC[C@@H](C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)C1 CC(C)CO[*:1] CC(=O)N1CC[C@H](C1)C(=O)NCc1cnc(c(Cl)c1)[*:1]
CC(=O)N1CC[C@@H](C(=O)NCc2cnc(OCC(C)C)c(Cl)c2)C1 CC(C)C[*:1] CC(=O)N1CC[C@H](C1)C(=O)NCc1cnc(O[*:1])c(Cl)c1
O=C(NCCn1nc(-n2cccn2)ccc1=O)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(NCCn1nc(ccc1=O)-n1cccn1)[*:1]
O=C(NCCn1nc(-n2cccn2)ccc1=O)c1cc(Cl)ccc1Cl c1cnn(c1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])c1cc(Cl)ccc1Cl
O=C(NCc1cn2ccccc2n1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 c1ccn2cc(C[*:1])nc2c1 O=C(N[*:1])C1CCN(CC1)c1ccc2nnc(n2n1)C(F)(F)F
O=C(NCc1cn2ccccc2n1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 FC(F)(F)[*:1] O=C(NCc1cn2ccccc2n1)C1CCN(CC1)c1ccc2nnc(n2n1)[*:1]
O=C(NCc1cn2ccccc2n1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 c1ccn2cc(nc2c1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1ccc2nnc(n2n1)C(F)(F)F
COc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C4CC4)C(=O)C3)c2)cc1 C1CC1[*:1] COc1ccc(cc1)C(=O)Nc1cccc(c1)C[NH+]1CCN(C(=O)C1)[*:1]
COc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C4CC4)C(=O)C3)c2)cc1 COc1ccc(cc1)[*:1] O=C1C[NH+](CCN1C1CC1)Cc1cccc(c1)NC(=O)[*:1]
Cc1ccc(/C=N/OCC(=O)Nc2cc(F)cc(F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CON=C[*:1])Nc1cc(F)cc(F)c1
COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccnc1Cl Clc1ncccc1[*:1] COc1ccc(cc1NC(=O)[*:1])-c1nc2ccccc2s1
COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccnc1Cl c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1NC(=O)c1cccnc1Cl)[*:1]
CC(C)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 CC(C)[C@H](C)NC(=O)[*:1] O=S(=O)(NCC[*:1])c1ccc2CCCCc2c1
CC(C)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 CC(C)[C@H](C)[*:1] O=C(CCNS(=O)(=O)c1ccc2CCCCc2c1)N[*:1]
CC(C)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 CC(C)[*:1] C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2CCCCc2c1)[*:1]
C[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)C1CC1 C1CC1[*:1] C[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)[*:1]
C[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)C1CC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cn1nnn(c1=O)[*:1])C1CC1
C[C@H](NC(=O)Cn1nnn(-c2ccccc2)c1=O)C1CC1 C[C@H](C1CC1)[*:1] O=C(Cn1nnn(-c2ccccc2)c1=O)N[*:1]
COc1ccc(OC)c(C[NH+]2CCN(Cc3noc(C4CC4)n3)CC2)c1 C1CC1c1nc(no1)[*:1] COc1ccc(OC)c(c1)C[NH+]1CCN(CC1)C[*:1]
COc1ccc(OC)c(C[NH+]2CCN(Cc3noc(C4CC4)n3)CC2)c1 C1CC1[*:1] COc1ccc(OC)c(c1)C[NH+]1CCN(CC1)Cc1noc(n1)[*:1]
COc1ccccc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 COc1ccccc1[*:1] COc1cc2C(=O)N3CCc4ccccc4[C@@H]3[C@@H](C(=O)N[*:1])c2cc1OC
COc1ccccc1NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 COc1ccccc1NC(=O)[*:1] COc1cc2C(=O)N3CCc4ccccc4[C@@H]3[C@H](c2cc1OC)[*:1]
O=C(NC[C@H](O)c1ccc2ccccc2c1)N[C@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(NC[C@H](O)c1ccc2ccccc2c1)N[C@H](c1ccco1)[*:1]
O=C(NC[C@H](O)c1ccc2ccccc2c1)N[C@H](c1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(NC[C@H](O)c1ccc2ccccc2c1)N[C@H](c1ccccc1)[*:1]
Cc1c(C(=O)[O-])cccc1N1[C@@H](C)C=C(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)[C@@H]1C O=C([O-])[*:1] Cc1c(cccc1[*:1])N1[C@@H](C)C=C(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)[C@@H]1C
Cc1c(C(=O)[O-])cccc1N1[C@@H](C)C=C(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)[C@@H]1C c1ccc2c(c[nH]c2c1)[*:1] Cc1c(cccc1N1[C@@H](C)C=C(/C=C(\C#N)C(=O)NCC[*:1])[C@@H]1C)C(=O)[O-]
Cc1c(C(=O)[O-])cccc1N1[C@@H](C)C=C(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)[C@@H]1C c1ccc2c(c[nH]c2c1)C[*:1] Cc1c(cccc1N1[C@@H](C)C=C(/C=C(\C#N)C(=O)NC[*:1])[C@@H]1C)C(=O)[O-]
Cc1c(C(=O)[O-])cccc1N1[C@@H](C)C=C(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)[C@@H]1C c1ccc2c(c[nH]c2c1)CC[*:1] Cc1c(cccc1N1[C@@H](C)C=C(/C=C(\C#N)C(=O)N[*:1])[C@@H]1C)C(=O)[O-]
COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] COc1cc(C#N)ccc1O[C@@H](C)C(=O)N[*:1]
CS(=O)(=O)CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CS(=O)(=O)[*:1] O=C(CC[*:1])Nc1ccc(F)c(c1)[N+](=O)[O-]
CS(=O)(=O)CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CS(=O)(=O)CCC(=O)Nc1ccc(F)c(c1)[*:1]
CS(=O)(=O)CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CS(=O)(=O)CC[*:1] O=C(Nc1ccc(F)c(c1)[N+](=O)[O-])[*:1]
CS(=O)(=O)CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CS(=O)(=O)C[*:1] O=C(C[*:1])Nc1ccc(F)c(c1)[N+](=O)[O-]
CC(C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 CC(C)[*:1] CC(C)(C)OC(=O)N1CC(C1)[NH2+][*:1]
CC(C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC(C)[NH2+]C1CN(C1)C(=O)O[*:1]
COCCn1ccc(NC(=O)c2c[nH]nc2-c2ccccc2)n1 COC[*:1] O=C(Nc1ccn(C[*:1])n1)c1c[nH]nc1-c1ccccc1
COCCn1ccc(NC(=O)c2c[nH]nc2-c2ccccc2)n1 COCC[*:1] O=C(Nc1ccn(n1)[*:1])c1c[nH]nc1-c1ccccc1
COCCn1ccc(NC(=O)c2c[nH]nc2-c2ccccc2)n1 c1ccc(cc1)[*:1] COCCn1ccc(n1)NC(=O)c1c[nH]nc1[*:1]
COc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)-c1cccnc1
COc1cccc(N2CCN(C(=O)C[C@@H](C)CC3=NS(=O)(=O)c4ccccc4N3)CC2)c1 COc1cccc(c1)[*:1] C[C@H](CC(=O)N1CCN(CC1)[*:1])CC1=NS(=O)(=O)c2ccccc2N1
CC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 c1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)NC(=O)c1cn(nc1-c1cccs1)[*:1]
CC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cn(Cc2ccccc2)nc1-c1cccs1
CC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])c1cn(Cc2ccccc2)nc1-c1cccs1
CC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1cn(C[*:1])nc1-c1cccs1
CC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 c1csc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1cn(Cc2ccccc2)nc1[*:1]
CC(=O)NCCc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1 CC(=O)NC[*:1] O=C(c1ccc(cc1)C[*:1])c1cc2cc(Cl)ccc2o1
CC(=O)NCCc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1 CC(=O)N[*:1] O=C(c1ccc(cc1)CC[*:1])c1cc2cc(Cl)ccc2o1
CC(=O)NCCc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1 CC(=O)NCC[*:1] O=C(c1ccc(cc1)[*:1])c1cc2cc(Cl)ccc2o1
CCO[C@@H]1[C@@H](OCC)N([N+](=O)[O-])CCN1[N+](=O)[O-] CCO[*:1] CCO[C@@H]1[C@H](N(CCN1[N+](=O)[O-])[N+](=O)[O-])[*:1]
CC(=O)NCCNC(=O)c1ccc(-c2ccccc2F)o1 CC(=O)N[*:1] O=C(NCC[*:1])c1ccc(o1)-c1ccccc1F
CC(=O)NCCNC(=O)c1ccc(-c2ccccc2F)o1 CC(=O)NC[*:1] O=C(NC[*:1])c1ccc(o1)-c1ccccc1F
CC(=O)NCCNC(=O)c1ccc(-c2ccccc2F)o1 CC(=O)NCC[*:1] O=C(N[*:1])c1ccc(o1)-c1ccccc1F
CC(=O)NCCNC(=O)c1ccc(-c2ccccc2F)o1 Fc1ccccc1[*:1] CC(=O)NCCNC(=O)c1ccc(o1)[*:1]
CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 c1cc(co1)[*:1] CC(C)c1ccc(cc1)N[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 CC(C)[*:1] O=C(c1ccoc1)N1CCC[C@H](C1)Nc1ccc(cc1)[*:1]
COc1cccc2cc(C(=O)NCC3(c4cccs4)CC3)oc12 c1csc(c1)[*:1] COc1cccc2cc(oc12)C(=O)NCC1(CC1)[*:1]
COCCN1C[C@@H](C(=O)N2CCN(Cc3ccc(C)cc3)C(=O)C2)CC1=O Cc1ccc(cc1)[*:1] COCCN1C[C@H](CC1=O)C(=O)N1CCN(C[*:1])C(=O)C1
COCCN1C[C@@H](C(=O)N2CCN(Cc3ccc(C)cc3)C(=O)C2)CC1=O COCC[*:1] Cc1ccc(cc1)CN1CCN(CC1=O)C(=O)[C@H]1CC(=O)N(C1)[*:1]
COCCN1C[C@@H](C(=O)N2CCN(Cc3ccc(C)cc3)C(=O)C2)CC1=O COC[*:1] Cc1ccc(cc1)CN1CCN(CC1=O)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@@H](C(=O)N2CCN(Cc3ccc(C)cc3)C(=O)C2)CC1=O Cc1ccc(cc1)C[*:1] COCCN1C[C@H](CC1=O)C(=O)N1CCN(C(=O)C1)[*:1]
CCNc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1cc(ccc1[*:1])N1CCN(CC1)C(=O)c1ccc(C)c(C)c1
CCNc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)ccc1[N+](=O)[O-] CCN[*:1] Cc1ccc(cc1C)C(=O)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
CCNc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)ccc1[N+](=O)[O-] Cc1ccc(cc1C)[*:1] CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
O=C(N[C@H]1CC=CC[C@@H]1CO)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CC=CC[C@@H]1CO)OC[*:1]
O=C(CS(=O)(=O)C(c1ccccc1)c1ccccc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)(C[*:1])C(c1ccccc1)c1ccccc1
O=C(CS(=O)(=O)C(c1ccccc1)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)C(c1ccccc1)[*:1])N1CCOCC1
COCCCOc1ccccc1NC(=O)C(=O)N1C[C@H]2CCCC[C@H]2C1 COCC[*:1] O=C(Nc1ccccc1OC[*:1])C(=O)N1C[C@H]2CCCC[C@H]2C1
COCCCOc1ccccc1NC(=O)C(=O)N1C[C@H]2CCCC[C@H]2C1 COC[*:1] O=C(Nc1ccccc1OCC[*:1])C(=O)N1C[C@H]2CCCC[C@H]2C1
COCCCOc1ccccc1NC(=O)C(=O)N1C[C@H]2CCCC[C@H]2C1 COCCC[*:1] O=C(Nc1ccccc1O[*:1])C(=O)N1C[C@H]2CCCC[C@H]2C1
COCCCOc1ccccc1NC(=O)C(=O)N1C[C@H]2CCCC[C@H]2C1 COCCCO[*:1] O=C(Nc1ccccc1[*:1])C(=O)N1C[C@H]2CCCC[C@H]2C1
CN(C)[C@H](C(=O)NCc1cc(-c2ccccc2)no1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)[C@H](C(=O)NCc1cc(no1)-c1ccccc1)[*:1]
CN(C)[C@H](C(=O)NCc1cc(-c2ccccc2)no1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)[C@H](C(=O)NCc1cc(no1)[*:1])c1ccccc1
CN(C)[C@H](C(=O)NCc1cc(-c2ccccc2)no1)c1ccccc1 CN(C)[*:1] O=C(NCc1cc(no1)-c1ccccc1)[C@H](c1ccccc1)[*:1]
Cc1cc(C)c(C(=O)[O-])c(NC[C@@H]2CN(C)CCO2)[nH+]1 O=C([O-])[*:1] Cc1cc(C)c(c(NC[C@@H]2CN(C)CCO2)[nH+]1)[*:1]
C=CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 C=CCNC(=O)[*:1] CN1C(=O)CO[C@H]([C@@H]1c1ccccc1)[*:1]
C=CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 C=CC[*:1] CN1C(=O)CO[C@@H](C(=O)N[*:1])[C@@H]1c1ccccc1
C=CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C=CCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1[*:1]
Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCCC3)o2)cccc1[N+](=O)[O-] O=C(N1CCCC1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NCc1nnc(o1)SC[*:1]
Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCCC3)o2)cccc1[N+](=O)[O-] O=C(CS[*:1])N1CCCC1 Cc1c(cccc1[N+](=O)[O-])C(=O)NCc1nnc(o1)[*:1]
Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCCC3)o2)cccc1[N+](=O)[O-] O=C(C[*:1])N1CCCC1 Cc1c(cccc1[N+](=O)[O-])C(=O)NCc1nnc(o1)S[*:1]
Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCCC3)o2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NCc1nnc(o1)SCC(=O)N1CCCC1
Cc1nc(Cn2ccc([C@H](C)O)c2)cs1 C[C@H](O)[*:1] Cc1nc(cs1)Cn1ccc(c1)[*:1]
O=C(NC1CCCC1)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O c1ccc(cc1)[*:1] O=C(NC1CCCC1)c1ccc([nH]c1=O)-c1ccc(cc1)[*:1]
O=C(NC1CCCC1)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O O=C(NC1CCCC1)[*:1] O=c1[nH]c(ccc1[*:1])-c1ccc(cc1)-c1ccccc1
O=C(NC1CCCC1)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O C1CCC(C1)[*:1] O=C(N[*:1])c1ccc([nH]c1=O)-c1ccc(cc1)-c1ccccc1
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+]4CCOCC4)[C@H]3c3ccncc3)ccc2O1 C[C@@H]1Cc2cc(ccc2O1)[*:1] O=C1C(O)=C(C(=O)[*:1])[C@H](c2ccncc2)N1CC[NH+]1CCOCC1
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+]4CCOCC4)[C@H]3c3ccncc3)ccc2O1 c1cc(ccn1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@@H]1[*:1]
CC[C@@H](C)n1ncc(C(=O)NCC(=O)Nc2cccc(F)c2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NCC(=O)Nc2cccc(F)c2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)NCC(=O)Nc2cccc(F)c2)c1C1CC1 Fc1cccc(c1)[*:1] CC[C@@H](C)n1ncc(C(=O)NCC(=O)N[*:1])c1C1CC1
Cc1ccc(OCCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCCO[*:1]
Cc1ccc(OCCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)OCCNC(=O)[C@H]1CC=CC[C@H]1[*:1]
COc1cccc(/C=C(/C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n2nnnc2C)c1 Cc1nnnn1[*:1] COc1cccc(C=C(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)[*:1])c1
COc1cccc(/C=C(/C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n2nnnc2C)c1 COc1cccc(c1)[*:1] Cc1nnnn1C(=C[*:1])C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C
Cc1ccc(S(=O)(=O)O[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 Cc1ccc(cc1)[*:1] CC1(C)OC[C@H](O1)[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]1OS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)O[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 CC1(C)OC[C@H](O1)[*:1] Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@H]2OC(C)(C)O[C@@H]2O[C@H]1[*:1]
Cc1cccc(NC(=O)C[NH+]2CCN(C(=O)c3cccc4c3O[C@H](C)[C@@H]4C)CC2)c1C Cc1cccc(c1C)[*:1] C[C@H]1Oc2c(cccc2[C@H]1C)C(=O)N1CC[NH+](CC1)CC(=O)N[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(Cl)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)/C=C/c1ccc(Cl)cc1)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)C=C[*:1])[N+](=O)[O-]
CN(CCS(C)(=O)=O)C(=O)c1ccc2ccccc2n1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)c1ccc2ccccc2n1
CN(CCS(C)(=O)=O)C(=O)c1ccc2ccccc2n1 CS(=O)(=O)CC[*:1] CN(C(=O)c1ccc2ccccc2n1)[*:1]
CN(CCS(C)(=O)=O)C(=O)c1ccc2ccccc2n1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)c1ccc2ccccc2n1
CCOc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(C)c1 Fc1ccc(cc1)[*:1] CCOc1ccc(NC(=O)N[C@@H]([C@@H]2CCCO2)[*:1])c(C)c1
CCOc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)[*:1]
C[C@@H]1C[C@H]1Nc1nc(Br)cn2ccnc12 C[C@@H]1C[C@@H]1[*:1] Brc1cn2ccnc2c(n1)N[*:1]
C[C@@H]1C[C@H]1Nc1nc(Br)cn2ccnc12 C[C@@H]1C[C@H]1N[*:1] Brc1cn2ccnc2c(n1)[*:1]
O=S(=O)(NCCCn1cncn1)c1ccc2c(c1)CCCC2 c1ncn(C[*:1])n1 O=S(=O)(NCC[*:1])c1ccc2CCCCc2c1
O=S(=O)(NCCCn1cncn1)c1ccc2c(c1)CCCC2 c1ncn(CC[*:1])n1 O=S(=O)(NC[*:1])c1ccc2CCCCc2c1
O=S(=O)(NCCCn1cncn1)c1ccc2c(c1)CCCC2 c1ncn(n1)[*:1] O=S(=O)(NCCC[*:1])c1ccc2CCCCc2c1
CCCNC(=O)N1CCN(c2ccccc2OC)C(=O)[C@@H]1C CCC[*:1] COc1ccccc1N1CCN(C(=O)N[*:1])[C@@H](C)C1=O
Cn1nccc1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 Cn1nccc1[*:1] O=[N+]([O-])c1ccc(NC[*:1])c(c1)S(=O)(=O)N1CCCC1
Cn1nccc1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 Cn1nccc1CN[*:1] O=[N+]([O-])c1ccc(c(c1)S(=O)(=O)N1CCCC1)[*:1]
Cn1nccc1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 Cn1nccc1C[*:1] O=[N+]([O-])c1ccc(N[*:1])c(c1)S(=O)(=O)N1CCCC1
Cn1nccc1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] Cn1nccc1CNc1ccc(cc1[*:1])[N+](=O)[O-]
Cn1nccc1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 O=[N+]([O-])[*:1] Cn1nccc1CNc1ccc(cc1S(=O)(=O)N1CCCC1)[*:1]
CN(C)c1ncccc1N(C)C(=O)c1cccc(C(=O)N2CCCC2)n1 O=C(N1CCCC1)[*:1] CN(C)c1ncccc1N(C)C(=O)c1cccc(n1)[*:1]
CN(C)c1ncccc1N(C)C(=O)c1cccc(C(=O)N2CCCC2)n1 CN(C)[*:1] CN(C(=O)c1cccc(n1)C(=O)N1CCCC1)c1cccnc1[*:1]
C#CCNC(=O)c1ccc(N[C@H]2CCC[C@]2(C)CO)nc1 C#CC[*:1] C[C@]1(CO)CCC[C@@H]1Nc1ccc(cn1)C(=O)N[*:1]
C#CCNC(=O)c1ccc(N[C@H]2CCC[C@]2(C)CO)nc1 C#CCNC(=O)[*:1] C[C@]1(CO)CCC[C@@H]1Nc1ccc(cn1)[*:1]
COC(=O)C[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1ccccc1 COC(=O)[*:1] O=S(=O)(N[C@@H](C[*:1])c1ccccc1)c1c[nH]c2nccc(Cl)c12
COC(=O)C[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
COC(=O)C[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1ccccc1 COC(=O)C[*:1] O=S(=O)(N[C@H](c1ccccc1)[*:1])c1c[nH]c2nccc(Cl)c12
C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC(=O)C(C)(C)O CC(C)(O)C(=O)C[*:1] C/C(=C\COc1ccc2ccc(=O)oc2c1)C[*:1]
C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC(=O)C(C)(C)O CC(C)(O)C(=O)CC[*:1] CC(=CCOc1ccc2ccc(=O)oc2c1)[*:1]
C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC(=O)C(C)(C)O CC(C)(O)C(=O)[*:1] C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[*:1]
C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC(=O)C(C)(C)O CC(C)(O)[*:1] C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC(=O)[*:1]
CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ncccn1 c1cnc(nc1)[*:1] CC[C@@H](Oc1ccc2CCCc2c1)C(=O)N[*:1]
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)C(C)C)c2)cc1 COc1ccc(cc1)[*:1] CC(C)N(C)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)C(C)C)c2)cc1 CC(C)[*:1] COc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)C(C)C)c2)cc1 CC(C)N(C)C(=O)[*:1] COc1ccc(cc1)NS(=O)(=O)c1cccc(c1)[*:1]
O=C(OCCCC(F)(F)F)c1ncn(-c2ccccc2)n1 FC(F)(F)CC[*:1] O=C(OC[*:1])c1ncn(n1)-c1ccccc1
O=C(OCCCC(F)(F)F)c1ncn(-c2ccccc2)n1 FC(F)(F)[*:1] O=C(OCCC[*:1])c1ncn(n1)-c1ccccc1
O=C(OCCCC(F)(F)F)c1ncn(-c2ccccc2)n1 FC(F)(F)CCC[*:1] O=C(O[*:1])c1ncn(n1)-c1ccccc1
O=C(OCCCC(F)(F)F)c1ncn(-c2ccccc2)n1 FC(F)(F)C[*:1] O=C(OCC[*:1])c1ncn(n1)-c1ccccc1
O=C(OCCCC(F)(F)F)c1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(OCCCC(F)(F)F)c1ncn(n1)[*:1]
O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)N[C@H]1CC=CCC1 c1ccc(cc1)[*:1] O=C(NCCC(=O)N1CCN(CC1)[*:1])N[C@H]1CC=CCC1
CS[C@@H]1CC[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 O=[N+]([O-])[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)/C=C/c1ccc(cc1)[*:1]
COc1cccc(/C=C/C(=O)c2ccccc2C)c1OC Cc1ccccc1[*:1] COc1cccc(/C=C/C(=O)[*:1])c1OC
O=C(Nc1ccc2c(c1)COC2)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(Nc1ccc2COCc2c1)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc2c(c1)COC2)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1ccc2COCc2c1)[C@H]1CC(=O)N(C1)C[*:1]
CN1CN=C2SC3(COC(c4cccc(Br)c4)OC3)C(=O)N2C1 Brc1cccc(c1)[*:1] CN1CN=C2SC3(COC(OC3)[*:1])C(=O)N2C1
CCOc1ccccc1[C@H](CC)NC(=O)C(=O)Nc1cccnc1Cl CCO[*:1] CC[C@H](NC(=O)C(=O)Nc1cccnc1Cl)c1ccccc1[*:1]
CCOc1ccccc1[C@H](CC)NC(=O)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] CCOc1ccccc1[C@H](CC)NC(=O)C(=O)N[*:1]
O=C(Nc1ccccc1)C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 O=C(N1CCCC1)[*:1] O=C(Nc1ccccc1)C1CCN(CC1)[C@@H](c1ccccc1)[*:1]
O=C(Nc1ccccc1)C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)[C@@H](C(=O)N1CCCC1)c1ccccc1
O=C(Nc1ccccc1)C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)C1CCN(CC1)[C@@H](C(=O)N1CCCC1)[*:1]
O=C(Nc1ccccc1)C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 O=C(Nc1ccccc1)[*:1] O=C([C@@H](c1ccccc1)N1CCC(CC1)[*:1])N1CCCC1
C[C@H](OC(=O)[C@H]1CCC[C@@H](C)C1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](OC(=O)[C@H]1CCC[C@@H](C)C1)[*:1]
CC/C(=C/C(=O)N(C)Cc1ccccn1)c1ccccc1 c1ccc(C[*:1])nc1 CC/C(=C/C(=O)N(C)[*:1])c1ccccc1
CC/C(=C/C(=O)N(C)Cc1ccccn1)c1ccccc1 c1ccc(nc1)[*:1] CC/C(=C/C(=O)N(C)C[*:1])c1ccccc1
CC/C(=C/C(=O)N(C)Cc1ccccn1)c1ccccc1 c1ccc(cc1)[*:1] CCC(=CC(=O)N(C)Cc1ccccn1)[*:1]
CC[C@@H](C)C(=O)Nc1ccccc1O CC[C@@H](C)[*:1] O=C(Nc1ccccc1O)[*:1]
C[C@H](Cc1ccccc1)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 c1ccc(cc1)[*:1] C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)C[*:1]
S=C(NCCc1ccccc1)N/N=C1/CCCCc2ccccc21 c1ccc(cc1)[*:1] S=C(NCC[*:1])N/N=C1/CCCCc2ccccc21
S=C(NCCc1ccccc1)N/N=C1/CCCCc2ccccc21 c1ccc(cc1)CC[*:1] S=C(N/N=C1/CCCCc2ccccc21)N[*:1]
S=C(NCCc1ccccc1)N/N=C1/CCCCc2ccccc21 c1ccc(cc1)C[*:1] S=C(NC[*:1])N/N=C1/CCCCc2ccccc21
Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](CNC(=O)[*:1])CN1c1ccc2OCOc2c1
CC(C)(C)c1noc(CCc2nc(-c3cc4ccccc4o3)no2)n1 CC(C)(C)[*:1] c1ccc2oc(cc2c1)-c1noc(CCc2nc(no2)[*:1])n1
CCN(Cc1cn2c(C)cc(C)nc2n1)C[C@@H](O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(Cc1cn2c(C)cc(C)nc2n1)C[C@@H](O)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)C[*:1]
CCCn1nccc1C(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 CCC[*:1] O=C(N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1ccnn1[*:1]
CCCn1nccc1C(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 CCCn1nccc1[*:1] O=C1C[C@H](CN1Cc1cccc2ccccc12)NC(=O)[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)c1ccc(o1)[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(o1)-c1nc2ccccc2s1
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 O=C(Nc1ccccc1)[*:1] O=C(c1ccc(o1)-c1nc2ccccc2s1)N1CCC(CC1)[*:1]
C[C@H](CCOc1ccccc1)C(=O)Nc1c(F)cccc1F c1ccc(cc1)[*:1] C[C@H](CCO[*:1])C(=O)Nc1c(F)cccc1F
C[C@H](CCOc1ccccc1)C(=O)Nc1c(F)cccc1F c1ccc(cc1)O[*:1] C[C@H](CC[*:1])C(=O)Nc1c(F)cccc1F
C[NH+]1CCN(C(=O)Nc2cccc(-c3nnco3)c2)CC1 c1nnc(o1)[*:1] C[NH+]1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
CC1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@](O)(C(F)(F)F)C1 c1ccc(cc1)[*:1] CC1C[C@@](O)(N(N=1)C(=O)c1ccc(cc1)[*:1])C(F)(F)F
CC1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CC1C[C@](O)(N(N=1)C(=O)c1ccc(cc1)-c1ccccc1)[*:1]
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)N2CCN(Cc3ccccc3)CC2)o1 c1ccc(cc1)[*:1] Cc1ccc(cc1-c1ccc(/C=C(\C#N)C(=O)N2CCN(CC2)C[*:1])o1)C(=O)[O-]
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)N2CCN(Cc3ccccc3)CC2)o1 Cc1ccc(cc1[*:1])C(=O)[O-] N#C/C(=C\c1ccc(o1)[*:1])C(=O)N1CCN(CC1)Cc1ccccc1
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)N2CCN(Cc3ccccc3)CC2)o1 O=C([O-])[*:1] Cc1ccc(cc1-c1ccc(/C=C(\C#N)C(=O)N2CCN(CC2)Cc2ccccc2)o1)[*:1]
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)N2CCN(Cc3ccccc3)CC2)o1 c1ccc(cc1)C[*:1] Cc1ccc(cc1-c1ccc(/C=C(\C#N)C(=O)N2CCN(CC2)[*:1])o1)C(=O)[O-]
COc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C)Oc2ccc(C)cc2)cc1 Cc1ccc(cc1)O[*:1] COc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C)[*:1])cc1
COc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C)Oc2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)C(C#N)=C[*:1]
COc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C)Oc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C)O[*:1])cc1
COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc4ccccc4oc3=O)nc2c1 C(CN1CCOCC1)C[*:1] COc1ccc2sc(nc2c1)N(C(=O)c1cc2ccccc2oc1=O)[*:1]
COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc4ccccc4oc3=O)nc2c1 C1CN(CCO1)CC[*:1] COc1ccc2sc(nc2c1)N(C[*:1])C(=O)c1cc2ccccc2oc1=O
COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc4ccccc4oc3=O)nc2c1 C1CN(CCO1)[*:1] COc1ccc2sc(nc2c1)N(CCC[*:1])C(=O)c1cc2ccccc2oc1=O
COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc4ccccc4oc3=O)nc2c1 COc1ccc2sc(nc2c1)[*:1] O=C(c1cc2ccccc2oc1=O)N(CCCN1CCOCC1)[*:1]
COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc4ccccc4oc3=O)nc2c1 C1CN(CCO1)C[*:1] COc1ccc2sc(nc2c1)N(CC[*:1])C(=O)c1cc2ccccc2oc1=O
COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc4ccccc4oc3=O)nc2c1 O=c1oc2ccccc2cc1[*:1] COc1ccc2sc(nc2c1)N(CCCN1CCOCC1)C(=O)[*:1]
C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1C(F)(F)F O=C(NC1CC1)[*:1] C[C@H](N[C@H](c1ccccc1)[*:1])c1ccccc1C(F)(F)F
C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1C(F)(F)F C1CC1[*:1] C[C@H](N[C@H](C(=O)N[*:1])c1ccccc1)c1ccccc1C(F)(F)F
C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1[*:1]
C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1C(F)(F)F c1ccc(cc1)[*:1] C[C@H](N[C@H](C(=O)NC1CC1)[*:1])c1ccccc1C(F)(F)F
CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(OC)ccc1Cl Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)Nc1cc(ccc1Cl)OC
CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(OC)ccc1Cl Clc1ccc(C[*:1])s1 CCN(C(=O)Nc1cc(ccc1Cl)OC)[*:1]
CC(C)(C)OC(=O)Oc1ccc(I)nc1Br CC(C)(C)[*:1] O=C(Oc1ccc(I)nc1Br)O[*:1]
CCCCCn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21 c1ccc(cc1)[*:1] CCCCCn1c(=O)n(c(=O)c2ccccc21)[*:1]
CCCCCn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21 CCCC[*:1] O=c1c2ccccc2n(C[*:1])c(=O)n1-c1ccccc1
CCCCCn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21 CCCCC[*:1] O=c1c2ccccc2n(c(=O)n1-c1ccccc1)[*:1]
CCCCCn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21 CCC[*:1] O=c1c2ccccc2n(CC[*:1])c(=O)n1-c1ccccc1
CSCCn1c(=O)[nH+]cn1-c1cc(C)ccc1C CSC[*:1] Cc1ccc(C)c(c1)-n1c[nH+]c(=O)n1C[*:1]
CSCCn1c(=O)[nH+]cn1-c1cc(C)ccc1C CSCC[*:1] Cc1ccc(C)c(c1)-n1c[nH+]c(=O)n1[*:1]
CC(C)C(=O)/C(C#N)=c1/s/c(=C/c2cccc(F)c2)c(=O)n1-c1ccccc1 CC(C)C(=O)[*:1] N#CC(=c1s/c(=C/c2cccc(F)c2)c(=O)n1-c1ccccc1)[*:1]
CC(C)C(=O)/C(C#N)=c1/s/c(=C/c2cccc(F)c2)c(=O)n1-c1ccccc1 CC(C)[*:1] N#C/C(C(=O)[*:1])=c1\s/c(=C/c2cccc(F)c2)c(=O)n1-c1ccccc1
CC(C)C(=O)/C(C#N)=c1/s/c(=C/c2cccc(F)c2)c(=O)n1-c1ccccc1 Fc1cccc(c1)[*:1] CC(C)C(=O)/C(C#N)=c1/sc(=C[*:1])c(=O)n1-c1ccccc1
CC(C)C(=O)/C(C#N)=c1/s/c(=C/c2cccc(F)c2)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)C(=O)/C(C#N)=c1/s/c(=C/c2cccc(F)c2)c(=O)n1[*:1]
Cc1ccc2nc(SCC(=O)[O-])n(CCCC(C)C)c2c1 O=C([O-])C[*:1] Cc1ccc2nc(S[*:1])n(CCCC(C)C)c2c1
Cc1ccc2nc(SCC(=O)[O-])n(CCCC(C)C)c2c1 CC(C)CC[*:1] Cc1ccc2nc(SCC(=O)[O-])n(C[*:1])c2c1
Cc1ccc2nc(SCC(=O)[O-])n(CCCC(C)C)c2c1 CC(C)C[*:1] Cc1ccc2nc(SCC(=O)[O-])n(CC[*:1])c2c1
Cc1ccc2nc(SCC(=O)[O-])n(CCCC(C)C)c2c1 O=C([O-])CS[*:1] Cc1ccc2nc(n(CCCC(C)C)c2c1)[*:1]
Cc1ccc2nc(SCC(=O)[O-])n(CCCC(C)C)c2c1 O=C([O-])[*:1] Cc1ccc2nc(SC[*:1])n(CCCC(C)C)c2c1
Cc1ccc2nc(SCC(=O)[O-])n(CCCC(C)C)c2c1 CC(C)CCC[*:1] Cc1ccc2nc(SCC(=O)[O-])n(c2c1)[*:1]
Cc1ccc2nc(SCC(=O)[O-])n(CCCC(C)C)c2c1 CC(C)[*:1] Cc1ccc2nc(SCC(=O)[O-])n(CCC[*:1])c2c1
Cc1c([C@H](C)NC(=O)c2c[nH]c(=O)c(Cl)c2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])[C@H](C)NC(=O)c1c[nH]c(=O)c(Cl)c1
Cc1c([C@H](C)NC(=O)c2c[nH]c(=O)c(Cl)c2)cnn1-c1ccccn1 O=c1[nH]cc(cc1Cl)[*:1] Cc1c(cnn1-c1ccccn1)[C@H](C)NC(=O)[*:1]
C[C@H](NCC(=O)NCC(=O)N1CCCC1)c1ccc(Cl)cc1 O=C(N1CCCC1)[*:1] C[C@H](NCC(=O)NC[*:1])c1ccc(Cl)cc1
C[C@H](NCC(=O)NCC(=O)N1CCCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NCC(=O)NCC(=O)N1CCCC1)[*:1]
O=C(CNC(=O)c1ccc(NC(=O)C2CC2)s1)OC1CCCCC1 C1CC1[*:1] O=C(CNC(=O)c1ccc(NC(=O)[*:1])s1)OC1CCCCC1
O=C(CNC(=O)c1ccc(NC(=O)C2CC2)s1)OC1CCCCC1 O=C(N[*:1])C1CC1 O=C(CNC(=O)c1ccc(s1)[*:1])OC1CCCCC1
O=C(CNC(=O)c1ccc(NC(=O)C2CC2)s1)OC1CCCCC1 C1CCC(CC1)[*:1] O=C(CNC(=O)c1ccc(NC(=O)C2CC2)s1)O[*:1]
CC(=O)c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 CC(=O)[*:1] FC(F)(F)c1ccnc(n1)Oc1ccc(cc1)[*:1]
CC(=O)c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 FC(F)(F)[*:1] CC(=O)c1ccc(cc1)Oc1nccc(n1)[*:1]
Cc1cc(C(=O)OC[C@@H]2CCCO2)c(C)s1 C1CO[C@@H](C1)[*:1] Cc1cc(C(=O)OC[*:1])c(C)s1
CC(=O)N[C@H](CC(=O)Nc1ccc(C)c(F)c1)c1ccc(Br)cc1 Cc1ccc(cc1F)[*:1] CC(=O)N[C@H](CC(=O)N[*:1])c1ccc(Br)cc1
CC(=O)N[C@H](CC(=O)Nc1ccc(C)c(F)c1)c1ccc(Br)cc1 CC(=O)N[*:1] Cc1ccc(cc1F)NC(=O)C[C@H](c1ccc(Br)cc1)[*:1]
CC(=O)N[C@H](CC(=O)Nc1ccc(C)c(F)c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Nc1ccc(C)c(F)c1)[*:1]
C[C@H](NC(=O)NC[C@@H]1CCC[C@H](O)C1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)NC[C@@H]1CCC[C@H](O)C1)c1noc(n1)[*:1]
C[C@H](NC(=O)NC[C@@H]1CCC[C@H](O)C1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NC[C@@H]1CCC[C@H](O)C1)c1noc(C[*:1])n1
CSC[C@@H](CCO)NC(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CSC[C@@H](CCO)NC(=O)Nc1cnc(s1)[*:1]
CSC[C@@H](CCO)NC(=O)Nc1cnc(-c2ccccc2)s1 OCC[*:1] CSC[C@@H](NC(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
CSC[C@@H](CCO)NC(=O)Nc1cnc(-c2ccccc2)s1 CSC[*:1] O=C(Nc1cnc(s1)-c1ccccc1)N[C@H](CCO)[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cccc2c1ccn2C C[S@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)c1cccc2c1ccn2C
O=C(NCc1ccc(OC2CCCCC2)nc1)c1ncncc1Cl Clc1cncnc1[*:1] O=C(NCc1ccc(nc1)OC1CCCCC1)[*:1]
O=C(NCc1ccc(OC2CCCCC2)nc1)c1ncncc1Cl C1CCC(CC1)O[*:1] O=C(NCc1ccc(nc1)[*:1])c1ncncc1Cl
O=C(NCc1ccc(OC2CCCCC2)nc1)c1ncncc1Cl C1CCC(CC1)[*:1] O=C(NCc1ccc(nc1)O[*:1])c1ncncc1Cl
CCN(CC)c1ccc(C(=O)N(C)Cc2ccc(C(=O)NC)cc2)cc1 CCN(CC)[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)c1ccc(cc1)[*:1]
CCN(CC)c1ccc(C(=O)N(C)Cc2ccc(C(=O)NC)cc2)cc1 CNC(=O)[*:1] CCN(CC)c1ccc(cc1)C(=O)N(C)Cc1ccc(cc1)[*:1]
COc1cc(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)ccc1C O=C([O-])C[*:1] COc1cc(ccc1C)CC(=O)N[C@@H](c1cccs1)[*:1]
COc1cc(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)ccc1C c1csc(c1)[*:1] COc1cc(ccc1C)CC(=O)N[C@@H](CC(=O)[O-])[*:1]
COc1cc(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)ccc1C O=C([O-])[*:1] COc1cc(ccc1C)CC(=O)N[C@@H](C[*:1])c1cccs1
CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 CCC[*:1] O=[N+]([O-])c1ccc(cc1)NC1CC[NH+](CC1)[*:1]
CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] CCC[NH+]1CCC(CC1)Nc1ccc(cc1)[*:1]
Cn1cc(/C=C/C(=O)OCC#Cc2ccccc2)c(=O)n(C)c1=O C(#C[*:1])c1ccccc1 Cn1cc(/C=C/C(=O)OC[*:1])c(=O)n(C)c1=O
Cn1cc(/C=C/C(=O)OCC#Cc2ccccc2)c(=O)n(C)c1=O c1ccc(cc1)[*:1] Cn1cc(/C=C/C(=O)OCC#C[*:1])c(=O)n(C)c1=O
COc1ccc2oc(C(=O)N3CCC(C(=O)N(C)C)CC3)c(C)c2c1 CN(C)C(=O)[*:1] COc1ccc2oc(C(=O)N3CCC(CC3)[*:1])c(C)c2c1
C[C@@H](CCCO)NC(=O)NCC1(c2ccccc2Cl)CCOCC1 OCCC[*:1] C[C@@H](NC(=O)NCC1(CCOCC1)c1ccccc1Cl)[*:1]
C[C@@H](CCCO)NC(=O)NCC1(c2ccccc2Cl)CCOCC1 Clc1ccccc1[*:1] C[C@@H](CCCO)NC(=O)NCC1(CCOCC1)[*:1]
C[C@@H](CCCO)NC(=O)NCC1(c2ccccc2Cl)CCOCC1 OCC[*:1] C[C@@H](C[*:1])NC(=O)NCC1(CCOCC1)c1ccccc1Cl
C[C@@H](CCCO)NC(=O)NCC1(c2ccccc2Cl)CCOCC1 C[C@@H](CCCO)[*:1] O=C(NCC1(CCOCC1)c1ccccc1Cl)N[*:1]
CCn1nc(C)c([C@H](C)NCCc2nc(-c3cccc(Cl)c3)no2)c1C Clc1cccc(c1)[*:1] CCn1nc(C)c(c1C)[C@H](C)NCCc1nc(no1)[*:1]
Cn1cc(CCC(=O)NC[C@H]2C[C@]23CCc2ccccc23)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])NC[C@H]1C[C@]12CCc1ccccc12
Cn1cc(CCC(=O)NC[C@H]2C[C@]23CCc2ccccc23)cn1 Cn1cc(cn1)C[*:1] O=C(C[*:1])NC[C@H]1C[C@]12CCc1ccccc12
COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccncc1F c1ccc(cc1)[*:1] COC(=O)[C@H](C)CN(C[*:1])C(=O)c1ccncc1F
COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccncc1F COC(=O)[C@H](C)C[*:1] O=C(c1ccncc1F)N(Cc1ccccc1)[*:1]
COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccncc1F Fc1cnccc1[*:1] COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)[*:1]
COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccncc1F COC(=O)[*:1] C[C@H](CN(Cc1ccccc1)C(=O)c1ccncc1F)[*:1]
COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccncc1F c1ccc(cc1)C[*:1] COC(=O)[C@H](C)CN(C(=O)c1ccncc1F)[*:1]
O=[N+]([O-])c1cnn(Cc2ccccc2C(F)(F)F)c1 O=[N+]([O-])[*:1] FC(F)(F)c1ccccc1Cn1cc(cn1)[*:1]
O=[N+]([O-])c1cnn(Cc2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] O=[N+]([O-])c1cnn(c1)Cc1ccccc1[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc(N)nn2[C@H]3c2ccccc2F)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1nc(N)nn1[C@@H]2[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc(N)nn2[C@H]3c2ccccc2F)cc1OC COc1ccc(cc1OC)[*:1] Nc1nc2NC3C[C@@H](CC(=O)C=3[C@H](c3ccccc3F)n2n1)[*:1]
Cc1ccc(Cn2nc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1nc(ccc1=O)C(=O)NC(c1ccccc1)[*:1]
Cc1ccc(Cn2nc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(NC(c1ccccc1)c1ccccc1)c1ccc(=O)n(n1)[*:1]
Cc1ccc(Cn2nc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NC(c1ccccc1)c1ccccc1)c1ccc(=O)n(C[*:1])n1
Cc1cccc(OCc2cc(F)cc(C#CCO)c2)c1C OCC#C[*:1] Cc1cccc(OCc2cc(F)cc(c2)[*:1])c1C
Cc1cc([C@@H]2CN(Cc3cnc(-c4ccccn4)s3)CCO2)ccc1F c1ccc(nc1)[*:1] Cc1cc(ccc1F)[C@@H]1CN(CCO1)Cc1cnc(s1)[*:1]
Cc1cc([C@@H]2CN(Cc3cnc(-c4ccccn4)s3)CCO2)ccc1F Cc1cc(ccc1F)[*:1] c1ccc(nc1)-c1ncc(CN2CCO[C@@H](C2)[*:1])s1
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(Br)cc3)[nH]c2=O)cc1 Brc1ccc(cc1)C[*:1] CCOc1ccc(cc1)C(=O)Nc1c(N)nc([nH]c1=O)S[*:1]
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(Br)cc3)[nH]c2=O)cc1 CCO[*:1] Nc1nc([nH]c(=O)c1NC(=O)c1ccc(cc1)[*:1])SCc1ccc(Br)cc1
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(Br)cc3)[nH]c2=O)cc1 CCOc1ccc(cc1)[*:1] Nc1nc([nH]c(=O)c1NC(=O)[*:1])SCc1ccc(Br)cc1
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(Br)cc3)[nH]c2=O)cc1 Brc1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)Nc1c(N)nc([nH]c1=O)SC[*:1]
CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(Br)cc3)[nH]c2=O)cc1 Brc1ccc(cc1)CS[*:1] CCOc1ccc(cc1)C(=O)Nc1c(N)nc([nH]c1=O)[*:1]
NNC(=O)c1ccc(CSc2ccc(N)c(Cl)c2)o1 NNC(=O)[*:1] Nc1ccc(cc1Cl)SCc1ccc(o1)[*:1]
Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)[*:1]
Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)c1ccc(Cl)cc1 Cc1noc(C)c1[*:1] C[C@H](CNC(=O)C(=O)c1ccc(Cl)cc1)[*:1]
Cc1ccccc1Nc1nc(N)nc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1 Cc1ccccc1[*:1] Nc1nc(CN2CCC[C@H]2c2ccc3OCCCOc3c2)nc(n1)N[*:1]
Cc1ccccc1Nc1nc(N)nc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1 Cc1ccccc1N[*:1] Nc1nc(CN2CCC[C@H]2c2ccc3OCCCOc3c2)nc(n1)[*:1]
COc1ccc([C@H](NC(=O)N[C@H]2CCc3c(O)cccc32)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N[C@H]1CCc2c(O)cccc21)[*:1]
COc1ccc([C@H](NC(=O)N[C@H]2CCc3c(O)cccc32)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](NC(=O)N[C@H]1CCc2c(O)cccc21)[*:1]
COc1ccc(OC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)cc1 C(=C[*:1])c1ccccc1 COc1ccc(cc1)OC(=O)[C@@H](C)NC(=O)[*:1]
COc1ccc(OC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)O[*:1]
COc1ccc(OC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)OC(=O)[C@@H](C)NC(=O)C=C[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1nnn(-c2ccc(F)cc2)c1CSc1ncccn1 c1cc2OCCOc2cc1[*:1] O=C(N[*:1])c1nnn(-c2ccc(F)cc2)c1CSc1ncccn1
O=C(Nc1ccc2c(c1)OCCO2)c1nnn(-c2ccc(F)cc2)c1CSc1ncccn1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)c1nnn(c1CSc1ncccn1)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1nnn(-c2ccc(F)cc2)c1CSc1ncccn1 c1cnc(nc1)[*:1] O=C(Nc1ccc2OCCOc2c1)c1nnn(-c2ccc(F)cc2)c1CS[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1nnn(-c2ccc(F)cc2)c1CSc1ncccn1 c1cnc(nc1)SC[*:1] O=C(Nc1ccc2OCCOc2c1)c1nnn(-c2ccc(F)cc2)c1[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1nnn(-c2ccc(F)cc2)c1CSc1ncccn1 c1cnc(nc1)S[*:1] O=C(Nc1ccc2OCCOc2c1)c1nnn(-c2ccc(F)cc2)c1C[*:1]
CCc1ccc(-c2nnc([C@@H](Br)CC)o2)o1 CC[C@H](Br)[*:1] CCc1ccc(o1)-c1nnc(o1)[*:1]
COc1ccc(Cn2c(Oc3cc(C)cc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
COc1ccc(Cn2c(Oc3cc(C)cc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 COc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)Oc1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
COc1ccc(Cn2c(Oc3cc(C)cc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1cc(C)cc(c1)O[*:1] COc1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
COc1ccc(Cn2c(Oc3cc(C)cc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)O[*:1]
CN(CCS(C)(=O)=O)C(=O)c1cccc(F)c1F CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)c1cccc(F)c1F
CN(CCS(C)(=O)=O)C(=O)c1cccc(F)c1F CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)c1cccc(F)c1F
CN(CCS(C)(=O)=O)C(=O)c1cccc(F)c1F CS(=O)(=O)CC[*:1] CN(C(=O)c1cccc(F)c1F)[*:1]
Cc1ccc(OCC(=O)N(C)C(C)C)c(C[NH3+])n1 CC(C)[*:1] Cc1ccc(OCC(=O)N(C)[*:1])c(C[NH3+])n1
CCOC(=O)c1cccc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1 CCOC(=O)[*:1] Cn1cc(cn1)[C@@]1(C)CN(CCO1)c1cccc(n1)[*:1]
CCOC(=O)c1cccc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1 Cn1cc(cn1)[*:1] CCOC(=O)c1cccc(n1)N1CCO[C@@](C)(C1)[*:1]
COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)CC2CCCC2)nn1 C1CCC(C1)C[*:1] COC(=O)c1cn(nn1)[C@@H]1CCCC[C@@H]1OC(=O)[*:1]
COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)CC2CCCC2)nn1 C1CCC(C1)[*:1] COC(=O)c1cn(nn1)[C@@H]1CCCC[C@@H]1OC(=O)C[*:1]
COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)CC2CCCC2)nn1 COC(=O)[*:1] O=C(CC1CCCC1)O[C@H]1CCCC[C@H]1n1cc(nn1)[*:1]
CCn1c([O-])c2ccc(C(=O)NCc3ccccc3F)cc2nc1=S Fc1ccccc1C[*:1] CCn1c([O-])c2ccc(cc2nc1=S)C(=O)N[*:1]
CCn1c([O-])c2ccc(C(=O)NCc3ccccc3F)cc2nc1=S Fc1ccccc1[*:1] CCn1c([O-])c2ccc(cc2nc1=S)C(=O)NC[*:1]
Cc1ccc(N2CC[C@H](C(=O)Nc3cccc(N4CCNC4=O)c3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)N1CCNC1=O)[C@H]1CCN(C1=O)[*:1]
Cc1ccc(N2CC[C@H](C(=O)Nc3cccc(N4CCNC4=O)c3)C2=O)cc1 O=C1NCCN1[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)Nc2cccc(c2)[*:1])C1=O
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)NC[C@H](C)c3cccs3)C2)c1 C[C@H](c1cccs1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)NC[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)NC[C@H](C)c3cccs3)C2)c1 C[C@@H](C[*:1])c1cccs1 CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)N[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)NC[C@H](C)c3cccs3)C2)c1 CCOC(=O)[*:1] C[C@@H](CNC(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1])c1cccs1
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)NC[C@H](C)c3cccs3)C2)c1 c1csc(c1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)NC[C@H](C)[*:1]
O=C1C[C@H](C(=O)N2CCCSC[C@H]2C[NH+]2CCCC2)CN1c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCCSC[C@H]1C[NH+]1CCCC1
CCc1noc(CN(C)C(=O)NC2CCN(c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] CCc1noc(CN(C)C(=O)NC2CCN(CC2)[*:1])n1
CCc1noc(CN(C)C(=O)NC2CCN(c3ccccc3)CC2)n1 CCc1noc(n1)[*:1] CN(C[*:1])C(=O)NC1CCN(CC1)c1ccccc1
CCc1noc(CN(C)C(=O)NC2CCN(c3ccccc3)CC2)n1 CCc1noc(C[*:1])n1 CN(C(=O)NC1CCN(CC1)c1ccccc1)[*:1]
O=C(c1ccc2[nH]ccc2c1)N1CCn2c(nnc2C(F)(F)F)C1 FC(F)(F)[*:1] O=C(c1ccc2[nH]ccc2c1)N1CCn2c(C1)nnc2[*:1]
O=C(Cn1ccc(C(F)(F)F)n1)Oc1ccc(Br)cc1 FC(F)(F)[*:1] O=C(Cn1ccc(n1)[*:1])Oc1ccc(Br)cc1
Cn1ccc(NC(=O)NCC2(Sc3ccccc3)CC2)n1 c1ccc(cc1)S[*:1] Cn1ccc(n1)NC(=O)NCC1(CC1)[*:1]
Cn1ccc(NC(=O)NCC2(Sc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cn1ccc(n1)NC(=O)NCC1(CC1)S[*:1]
Cn1ccc(NC(=O)NCC2(Sc3ccccc3)CC2)n1 Cn1ccc(n1)[*:1] O=C(NCC1(CC1)Sc1ccccc1)N[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)c2cccc3ccc(C)nc23)C1 COC(=O)[*:1] Cc1ccc2cccc(C(=O)N3CC[C@](F)(C3)[*:1])c2n1
O=S(=O)(c1cc(F)ccc1F)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 c1ccc(cc1)[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCN(CC1)c1cc(ncn1)[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 Fc1ccc(F)c(c1)[*:1] O=S(=O)(N1CCN(CC1)c1cc(ncn1)-c1ccccc1)[*:1]
COc1ccc(Cl)cc1Nc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] COc1ccc(Cl)cc1[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)c1ccccc1)N[*:1]
COc1ccc(Cl)cc1Nc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] COc1ccc(Cl)cc1N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1ccccc1
COc1ccc(Cl)cc1Nc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] COc1ccc(Cl)cc1Nc1ncnc(c1[N+](=O)[O-])N1CCN(CC1)[*:1]
COc1ccc(Cl)cc1Nc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(Cl)cc1Nc1ncnc(c1[*:1])N1CCN(CC1)c1ccccc1
NC(=O)c1cccc(N2CC(n3cc(C(=O)[O-])nn3)C2)n1 NC(=O)[*:1] O=C([O-])c1cn(nn1)C1CN(C1)c1cccc(n1)[*:1]
NC(=O)c1cccc(N2CC(n3cc(C(=O)[O-])nn3)C2)n1 O=C([O-])[*:1] NC(=O)c1cccc(n1)N1CC(C1)n1cc(nn1)[*:1]
CC[C@@H](C)[C@H]1NC(=O)CN(c2ccc(Cl)c(Br)c2)C1=O CC[C@@H](C)[*:1] O=C1CN(C(=O)[C@H](N1)[*:1])c1ccc(Cl)c(Br)c1
COCC[C@@H](C)C(=O)Nc1ccc(C)c(C(N)=O)c1 NC(=O)[*:1] COCC[C@@H](C)C(=O)Nc1ccc(C)c(c1)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(C)c(C(N)=O)c1 COCC[C@@H](C)[*:1] Cc1ccc(cc1C(N)=O)NC(=O)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(C)c(C(N)=O)c1 COCC[*:1] Cc1ccc(cc1C(N)=O)NC(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(C)c(C(N)=O)c1 COC[*:1] Cc1ccc(cc1C(N)=O)NC(=O)[C@H](C)C[*:1]
CC(C)(O)CCc1cccc(C(=O)NC[C@@H](O)c2ccccc2Cl)c1 CC(C)(O)C[*:1] O=C(NC[C@@H](O)c1ccccc1Cl)c1cccc(c1)C[*:1]
CC(C)(O)CCc1cccc(C(=O)NC[C@@H](O)c2ccccc2Cl)c1 CC(C)(O)CC[*:1] O=C(NC[C@@H](O)c1ccccc1Cl)c1cccc(c1)[*:1]
CC(C)(O)CCc1cccc(C(=O)NC[C@@H](O)c2ccccc2Cl)c1 Clc1ccccc1[*:1] CC(C)(O)CCc1cccc(c1)C(=O)NC[C@@H](O)[*:1]
CC(C)(O)CCc1cccc(C(=O)NC[C@@H](O)c2ccccc2Cl)c1 CC(C)(O)[*:1] O=C(NC[C@@H](O)c1ccccc1Cl)c1cccc(c1)CC[*:1]
C=CCn1c(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)nnc1-c1ccco1 C=CC[*:1] c1ccc(cc1)-c1nnc2SC[C@@H](CSc3nnc(-c4ccco4)n3[*:1])n21
C=CCn1c(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)nnc1-c1ccco1 c1coc(c1)[*:1] C=CCn1c(nnc1[*:1])SC[C@@H]1CSc2nnc(-c3ccccc3)n21
C=CCn1c(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)nnc1-c1ccco1 c1ccc(cc1)[*:1] C=CCn1c(nnc1-c1ccco1)SC[C@@H]1CSc2nnc(n21)[*:1]
COc1ccc(C(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C(=O)O[C@H](c1nc(C)cs1)[*:1]
COc1ccc(C(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)cc1 Cc1csc(n1)[*:1] COc1ccc(cc1)C(=O)O[C@H](C(F)(F)F)[*:1]
COc1ccc(OCCCn2cc(C(F)(F)F)ccc2=O)cc1 FC(F)(F)[*:1] COc1ccc(cc1)OCCCn1cc(ccc1=O)[*:1]
CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@H]1[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@@H]1[*:1]
CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@H]1[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@H]1[C@@H](O)[*:1]
Cc1nc(CCNC(=O)c2ccc(OC(F)F)cc2)cs1 FC(F)O[*:1] Cc1nc(cs1)CCNC(=O)c1ccc(cc1)[*:1]
Cc1nc(CCNC(=O)c2ccc(OC(F)F)cc2)cs1 Cc1nc(cs1)C[*:1] O=C(NC[*:1])c1ccc(cc1)OC(F)F
Cc1nc(CCNC(=O)c2ccc(OC(F)F)cc2)cs1 Cc1nc(cs1)[*:1] O=C(NCC[*:1])c1ccc(cc1)OC(F)F
Cc1nc(CCNC(=O)c2ccc(OC(F)F)cc2)cs1 FC(F)[*:1] Cc1nc(cs1)CCNC(=O)c1ccc(cc1)O[*:1]
CCn1cnnc1[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] CCn1cnnc1[C@H]1CCCN(C1)c1ccc(cn1)[*:1]
CCn1cnnc1[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 CCn1cnnc1[*:1] FC(F)(F)c1ccc(nc1)N1CCC[C@@H](C1)[*:1]
CC(C)CCO[C@H]1CCN(S(=O)(=O)CC2CCC2)C1 C1CC(C1)[*:1] CC(C)CCO[C@H]1CCN(C1)S(=O)(=O)C[*:1]
CC(C)CCO[C@H]1CCN(S(=O)(=O)CC2CCC2)C1 CC(C)[*:1] O=S(=O)(CC1CCC1)N1CC[C@@H](C1)OCC[*:1]
CC(C)CCO[C@H]1CCN(S(=O)(=O)CC2CCC2)C1 CC(C)C[*:1] O=S(=O)(CC1CCC1)N1CC[C@@H](C1)OC[*:1]
CC(C)CCO[C@H]1CCN(S(=O)(=O)CC2CCC2)C1 C1CC(C1)C[*:1] CC(C)CCO[C@H]1CCN(C1)S(=O)(=O)[*:1]
CC(C)CCO[C@H]1CCN(S(=O)(=O)CC2CCC2)C1 CC(C)CC[*:1] O=S(=O)(CC1CCC1)N1CC[C@@H](C1)O[*:1]
CC(C)CCO[C@H]1CCN(S(=O)(=O)CC2CCC2)C1 CC(C)CCO[*:1] O=S(=O)(CC1CCC1)N1CC[C@@H](C1)[*:1]
CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CCC(N)=O)C2)cc1 NC(=O)CC[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CCC(N)=O)C2)cc1 NC(=O)[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](CC[*:1])C1
CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CCC(N)=O)C2)cc1 CC(C)[*:1] NC(=O)CC[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CCC(N)=O)C2)cc1 CC(C)C[*:1] NC(=O)CC[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CCC(N)=O)C2)cc1 NC(=O)C[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C[*:1]
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1ccco1)c1ccco1 c1coc(c1)[*:1] O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1[*:1])c1ccco1
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1ccco1)c1ccco1 c1coc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccco2)N1CC[NH+]1CCCC1
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1ccco1)c1ccco1 O=C(c1ccco1)[*:1] O=C1C([O-])=C([C@@H](c2ccco2)N1CC[NH+]1CCCC1)[*:1]
CCOC(=O)c1coc(N2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)n1 CCOC(=O)[*:1] CN1C(=O)[C@@]2(CCCN(C2)c2nc(co2)[*:1])c2ccccc21
[NH3+][C@@H](CSc1ccccc1F)[C@H]1CCOC2(CCCC2)C1 Fc1ccccc1[*:1] [NH3+][C@@H](CS[*:1])[C@H]1CCOC2(CCCC2)C1
Cc1cc(S(=O)(=O)NC[C@](C)(O)C(C)C)sc1C CC(C)[*:1] Cc1cc(sc1C)S(=O)(=O)NC[C@](C)(O)[*:1]
Cc1cc(S(=O)(=O)NC[C@](C)(O)C(C)C)sc1C CC(C)[C@](C)(O)[*:1] Cc1cc(sc1C)S(=O)(=O)NC[*:1]
O=C(Nc1c[nH]nc1-c1ccccn1)N1CCc2ccccc2CC1 c1ccc(nc1)[*:1] O=C(Nc1c[nH]nc1[*:1])N1CCc2ccccc2CC1
COc1ccc([C@@H](O)CNCc2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@@H](O)CNCc1ccc(cc1)[*:1]
CC[C@@H](O)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O CC[C@@H](O)C[*:1] O=C(NC[*:1])N[C@@H]1CCCN(Cc2ccccc2)C1=O
CC[C@@H](O)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O CC[C@@H](O)[*:1] O=C(NCC[*:1])N[C@@H]1CCCN(Cc2ccccc2)C1=O
CC[C@@H](O)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CC[C@@H](O)CCNC(=O)N[C@@H]1CCCN(C1=O)[*:1]
CC[C@@H](O)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O CC[C@@H](O)CC[*:1] O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)N[*:1]
CC[C@@H](O)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CC[C@@H](O)CCNC(=O)N[C@@H]1CCCN(C[*:1])C1=O
O=C(Nc1ccc2c(c1)CCCO2)N(C[C@@H]1CCCO1)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1ccc2OCCCc2c1)N(C[C@@H]1CCCO1)[*:1]
CCN(CC)C(=O)CN(C)C(=O)c1ccsc1 c1cc(cs1)[*:1] CCN(CC)C(=O)CN(C)C(=O)[*:1]
C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[*:1]
CCC[C@@H]1CN(c2ncnc3ccsc23)C[C@H]1NS(C)(=O)=O CS(=O)(=O)N[*:1] CCC[C@@H]1CN(C[C@@H]1[*:1])c1ncnc2ccsc12
CCC[C@@H]1CN(c2ncnc3ccsc23)C[C@H]1NS(C)(=O)=O CCC[*:1] CS(=O)(=O)N[C@@H]1CN(C[C@H]1[*:1])c1ncnc2ccsc12
COc1ccc(C(=O)Oc2cccc(/C=N\NC(N)=S)c2)cc1 NC(=S)NN=C[*:1] COc1ccc(cc1)C(=O)Oc1cccc(c1)[*:1]
CCS(=O)(=O)N(C)C1CCN(C(=O)NCCCc2cn[nH]c2C)CC1 Cc1[nH]ncc1CC[*:1] CCS(=O)(=O)N(C)C1CCN(CC1)C(=O)NC[*:1]
CCS(=O)(=O)N(C)C1CCN(C(=O)NCCCc2cn[nH]c2C)CC1 CCS(=O)(=O)N(C)[*:1] Cc1[nH]ncc1CCCNC(=O)N1CCC(CC1)[*:1]
CCS(=O)(=O)N(C)C1CCN(C(=O)NCCCc2cn[nH]c2C)CC1 Cc1[nH]ncc1[*:1] CCS(=O)(=O)N(C)C1CCN(CC1)C(=O)NCCC[*:1]
CCS(=O)(=O)N(C)C1CCN(C(=O)NCCCc2cn[nH]c2C)CC1 Cc1[nH]ncc1C[*:1] CCS(=O)(=O)N(C)C1CCN(CC1)C(=O)NCC[*:1]
COc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1OC COc1cccc(c1OC)[*:1] O=C(N1CCC[C@@H](C1)c1nc(no1)-c1ccc(F)cc1)[*:1]
COc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1OC Fc1ccc(cc1)[*:1] COc1cccc(C(=O)N2CCC[C@@H](C2)c2nc(no2)[*:1])c1OC
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(=O)NCC(C)C CC(C)C[*:1] Cc1onc(c1C(=O)OCC(=O)NC(=O)N[*:1])-c1c(F)cccc1Cl
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(=O)NCC(C)C Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)OCC(=O)NC(=O)NCC(C)C)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(=O)NCC(C)C CC(C)[*:1] Cc1onc(c1C(=O)OCC(=O)NC(=O)NC[*:1])-c1c(F)cccc1Cl
O=c1oc2ccc([N+](=O)[O-])cc2n1CCCOc1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] O=c1oc2ccc(cc2n1CCCO[*:1])[N+](=O)[O-]
O=c1oc2ccc([N+](=O)[O-])cc2n1CCCOc1cccc[n+]1[O-] [O-][n+]1ccccc1O[*:1] O=c1oc2ccc(cc2n1CCC[*:1])[N+](=O)[O-]
O=c1oc2ccc([N+](=O)[O-])cc2n1CCCOc1cccc[n+]1[O-] O=[N+]([O-])[*:1] O=c1oc2ccc(cc2n1CCCOc1cccc[n+]1[O-])[*:1]
O=C(CC[C@@H]1CCCN(C(=O)N2CCCC2)C1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)N1CCCC1)NC[*:1]
O=C(CC[C@@H]1CCCN(C(=O)N2CCCC2)C1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)N1CCCC1)N[*:1]
Cc1nc(-c2ccc(NC(=O)C(=O)N[C@H](C)c3cn(C)nc3C)cc2)cs1 Cc1nc(cs1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(-c2ccc(NC(=O)C(=O)N[C@H](C)c3cn(C)nc3C)cc2)cs1 Cc1nn(C)cc1[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC1 O=C(N1CCC1)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)N1CCC1
CC(C)OC(=O)[C@H](C)Oc1ccccc1C#N CC(C)[*:1] C[C@H](Oc1ccccc1C#N)C(=O)O[*:1]
O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)Nc1ccccc1O Oc1ccccc1[*:1] O=C(Nc1ccc(cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N[*:1]
Cc1ccsc1CN1C[C@](C)(c2ccccc2)[NH2+]C[C@@H]1C Cc1ccsc1[*:1] C[C@H]1C[NH2+][C@](C)(CN1C[*:1])c1ccccc1
Cc1ccsc1CN1C[C@](C)(c2ccccc2)[NH2+]C[C@@H]1C c1ccc(cc1)[*:1] Cc1ccsc1CN1C[C@](C)([NH2+]C[C@@H]1C)[*:1]
Cc1ccsc1CN1C[C@](C)(c2ccccc2)[NH2+]C[C@@H]1C Cc1ccsc1C[*:1] C[C@H]1C[NH2+][C@](C)(CN1[*:1])c1ccccc1
COc1cc2c(c(CN3CCC(N4CCO[C@H](C)C4)CC3)c1)O[C@H](C)C2 C[C@@H]1CN(CCO1)[*:1] COc1cc2C[C@@H](C)Oc2c(c1)CN1CCC(CC1)[*:1]
CCOCCO[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 CCOCCO[*:1] C[C@H](C(=O)Nc1sc2CCCc2c1C#N)[*:1]
CCOCCO[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 CCOC[*:1] C[C@@H](OC[*:1])C(=O)Nc1sc2CCCc2c1C#N
CCOCCO[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 CCOCC[*:1] C[C@@H](O[*:1])C(=O)Nc1sc2CCCc2c1C#N
CCOCCO[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 CCO[*:1] C[C@@H](OCC[*:1])C(=O)Nc1sc2CCCc2c1C#N
C[C@H]1CCC[C@H](NC(=O)CS(=O)(=O)c2ccccc2F)[C@@H]1C Fc1ccccc1[*:1] C[C@H]1CCC[C@H](NC(=O)CS(=O)(=O)[*:1])[C@@H]1C
CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc(NNC(=O)c3ccncc3)c2N)C1 c1cc(ccn1)[*:1] CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc(NNC(=O)[*:1])c2N)C1
COC(=O)[C@@H]1CN(Cc2cnc(C3CC3)s2)C[C@@H](C)O1 C1CC1[*:1] COC(=O)[C@@H]1CN(Cc2cnc(s2)[*:1])C[C@@H](C)O1
COC(=O)[C@@H]1CN(Cc2cnc(C3CC3)s2)C[C@@H](C)O1 COC(=O)[*:1] C[C@@H]1CN(Cc2cnc(s2)C2CC2)C[C@H](O1)[*:1]
COc1cccc(C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)c1 COc1cccc(c1)[*:1] CC1=CC(C)(C)N2C(=O)C(=O)c3cc(cc1c32)OC(=O)[*:1]
CC(C)N1C[C@@H](C(=O)O[C@H](c2ccccc2)c2nccs2)CC1=O c1ccc(cc1)[*:1] CC(C)N1C[C@H](CC1=O)C(=O)O[C@H](c1nccs1)[*:1]
CC(C)N1C[C@@H](C(=O)O[C@H](c2ccccc2)c2nccs2)CC1=O CC(C)[*:1] O=C(O[C@H](c1ccccc1)c1nccs1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)N1C[C@@H](C(=O)O[C@H](c2ccccc2)c2nccs2)CC1=O c1csc(n1)[*:1] CC(C)N1C[C@H](CC1=O)C(=O)O[C@H](c1ccccc1)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N1C[C@H](C)C[C@@H](C)C1 CC(C)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)NC[C@@H](C)C(=O)O[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N1C[C@H](C)C[C@@H](C)C1 CC(C)OC(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)NC[C@@H](C)[*:1]
Cc1ccc2cc3cc(C(=O)Nc4nccs4)oc3nc2c1 c1csc(n1)[*:1] Cc1ccc2cc3cc(oc3nc2c1)C(=O)N[*:1]
C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)N(C)C FC(F)(F)[*:1] C[C@@H](Sc1nnc2ccc(cn12)[*:1])C(=O)N(C)C
C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)N(C)C C[C@@H](C(=O)N(C)C)[*:1] FC(F)(F)c1ccc2nnc(S[*:1])n2c1
C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](Sc1nnc2ccc(cn12)C(F)(F)F)[*:1]
COc1cc(C2=NO[C@@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc(OC)c1OC c1cc2OCOc2cc1[*:1] COc1cc(cc(OC)c1OC)C1C[C@@H](ON=1)C(=O)N[*:1]
CC(C)(C)[C@H](OC(=O)C1CCN(CC(F)(F)F)CC1)C(F)(F)F FC(F)(F)[*:1] CC(C)(C)[C@H](OC(=O)C1CCN(CC1)CC(F)(F)F)[*:1]
CC(C)(C)[C@H](OC(=O)C1CCN(CC(F)(F)F)CC1)C(F)(F)F FC(F)(F)[*:1] CC(C)(C)[C@H](OC(=O)C1CCN(CC1)C[*:1])C(F)(F)F
CC(C)(C)[C@H](OC(=O)C1CCN(CC(F)(F)F)CC1)C(F)(F)F FC(F)(F)C[*:1] CC(C)(C)[C@H](OC(=O)C1CCN(CC1)[*:1])C(F)(F)F
CC(C)(C)[C@H](OC(=O)C1CCN(CC(F)(F)F)CC1)C(F)(F)F CC(C)(C)[*:1] O=C(O[C@H](C(F)(F)F)[*:1])C1CCN(CC1)CC(F)(F)F
Cc1ccc([C@H](NS(=O)(=O)c2cccc(C#N)c2)C2CC2)cc1 Cc1ccc(cc1)[*:1] N#Cc1cccc(c1)S(=O)(=O)N[C@H](C1CC1)[*:1]
Cc1ccc([C@H](NS(=O)(=O)c2cccc(C#N)c2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](NS(=O)(=O)c1cccc(C#N)c1)[*:1]
Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H]([NH2+]CC1(CCCCC1)N1CCOCC1)C(=O)NC(=O)N[*:1]
Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)c(C)c1 C1CN(CCO1)[*:1] Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+]CC2(CCCCC2)[*:1])c(C)c1
CNc1nc(-c2cccc(C3CC3)c2)nc(C)c1C C1CC1[*:1] CNc1nc(nc(C)c1C)-c1cccc(c1)[*:1]
CS[C@H](C)CNC(=O)CCCn1ccnn1 c1cn(nn1)[*:1] CS[C@H](C)CNC(=O)CCC[*:1]
CS[C@H](C)CNC(=O)CCCn1ccnn1 CS[C@H](C)C[*:1] O=C(CCCn1ccnn1)N[*:1]
CS[C@H](C)CNC(=O)CCCn1ccnn1 CS[C@H](C)[*:1] O=C(CCCn1ccnn1)NC[*:1]
CCC(C)(C)NC(=O)CSc1nnc(-c2cccs2)n1N c1csc(c1)[*:1] CCC(C)(C)NC(=O)CSc1nnc(n1N)[*:1]
CCC(C)(C)NC(=O)CSc1nnc(-c2cccs2)n1N CCC(C)(C)[*:1] Nn1c(nnc1-c1cccs1)SCC(=O)N[*:1]
c1csc(N2CCN(c3ccc4nccnc4n3)CC2)n1 c1csc(n1)[*:1] c1cnc2nc(ccc2n1)N1CCN(CC1)[*:1]
C[C@H](OC(=O)c1cc(N2CCCC2=O)ccc1Cl)[C@H]1CCCO1 O=C1CCCN1[*:1] C[C@H](OC(=O)c1cc(ccc1Cl)[*:1])[C@H]1CCCO1
CNC(=O)[C@@H](CC(C)C)NC1=NS(=O)(=O)c2ccccc21 CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NC1=NS(=O)(=O)c2ccccc21
CNC(=O)[C@@H](CC(C)C)NC1=NS(=O)(=O)c2ccccc21 CC(C)C[*:1] CNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)[*:1]
CNC(=O)[C@@H](CC(C)C)NC1=NS(=O)(=O)c2ccccc21 CNC(=O)[*:1] CC(C)C[C@@H](NC1=NS(=O)(=O)c2ccccc21)[*:1]
CC(C)(CNc1nccnc1C#N)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(CNc1nccnc1C#N)NC(=O)O[*:1]
COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N3CCC[C@@H](O)C3)c21 C1CCC(CC1)[*:1] COCCn1cnc2cc(cc(C(=O)N3CCC[C@@H](O)C3)c21)NC(=O)[*:1]
COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N3CCC[C@@H](O)C3)c21 COCC[*:1] O=C(Nc1cc(C(=O)N2CCC[C@@H](O)C2)c2c(c1)ncn2[*:1])C1CCCCC1
COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N3CCC[C@@H](O)C3)c21 COC[*:1] O=C(Nc1cc(C(=O)N2CCC[C@@H](O)C2)c2c(c1)ncn2C[*:1])C1CCCCC1
COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N3CCC[C@@H](O)C3)c21 O=C(N[*:1])C1CCCCC1 COCCn1cnc2cc(cc(C(=O)N3CCC[C@@H](O)C3)c21)[*:1]
CC(C)OCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 CC(C)[*:1] O=C([O-])[C@H]1CCCN(C1)S(=O)(=O)CCO[*:1]
CC(C)OCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 CC(C)OC[*:1] O=C([O-])[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
CC(C)OCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 CC(C)O[*:1] O=C([O-])[C@H]1CCCN(C1)S(=O)(=O)CC[*:1]
CC(C)OCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC(C)OCCS(=O)(=O)N1CCC[C@H](C1)[*:1]
CC(C)OCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 CC(C)OCC[*:1] O=C([O-])[C@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(C[NH2+]C1(c2nccs2)CCCC1)Nc1ccc(F)c(F)c1 c1csc(n1)[*:1] O=C(C[NH2+]C1(CCCC1)[*:1])Nc1ccc(F)c(F)c1
CCOC(=O)C1=NN(c2ccccc2)[C@@H](C#N)C1 c1ccc(cc1)[*:1] CCOC(=O)C1C[C@H](C#N)N(N=1)[*:1]
COc1cccc([C@@H](CO)NC(=O)c2cnn(C(C)(C)C)c2)c1 CC(C)(C)[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)c1cnn(c1)[*:1]
CCN(C(=O)CCC1=C(C)[C@H](C#N)C(=O)N=C1C)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)CCC1C(C)=NC(=O)[C@@H](C#N)C=1C)[*:1]
CC(C)C(=O)N1CCC(C(=O)Nc2cnc(-c3ccccc3)s2)CC1 CC(C)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)C1CCN(CC1)C(=O)[*:1]
CC(C)C(=O)N1CCC(C(=O)Nc2cnc(-c3ccccc3)s2)CC1 c1ccc(cc1)[*:1] CC(C)C(=O)N1CCC(CC1)C(=O)Nc1cnc(s1)[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 c1cn(cn1)[*:1] Cc1ccc(c(c1)C(=O)NCCOc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(c(c1)C(=O)NCCO[*:1])-n1ccnc1
Cc1ccc(-n2ccnc2)c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)C(=O)NCCOc1ccc(cc1)[*:1])-n1ccnc1
CCOC(=O)c1nc(-c2cc(Br)ccc2O)n[n-]1 CCOC(=O)[*:1] Oc1ccc(Br)cc1-c1n[n-]c(n1)[*:1]
CC1(C)C(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1(C)C O=C([O-])[*:1] CC1(C)C(CNC(=O)[C@H]2C[C@@H]2[*:1])C1(C)C
CCCc1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NC)C2)n(C)n1 CNC(=O)[*:1] CCCc1cc(NC(=O)C(=O)N2CCC[C@@H](C2)[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NC)C2)n(C)n1 CCC[*:1] CNC(=O)[C@@H]1CCCN(C1)C(=O)C(=O)Nc1cc(nn1C)[*:1]
CC(C)[NH2+]C[C@@H]1CCCN(c2nc3ccc(Br)cn3n2)C1 CC(C)[*:1] Brc1ccc2nc(nn2c1)N1CCC[C@@H](C[NH2+][*:1])C1
O=C(NCCc1nnc2n1CCC2)NC[C@@H]1CCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1nnc2CCCn21)NC[C@@H]1CCO[C@H]1[*:1]
O=C(NCCc1nnc2n1CCC2)NC[C@@H]1CCO[C@@H]1c1ccccc1 C1Cc2nnc(n2C1)[*:1] O=C(NCC[*:1])NC[C@@H]1CCO[C@@H]1c1ccccc1
O=C(CCc1ccncc1)NCc1cccnc1Oc1ccc(F)c(F)c1 c1cc(ccn1)[*:1] O=C(CC[*:1])NCc1cccnc1Oc1ccc(F)c(F)c1
O=C(CCc1ccncc1)NCc1cccnc1Oc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CCc1ccncc1)NCc1cccnc1O[*:1]
O=C(CCc1ccncc1)NCc1cccnc1Oc1ccc(F)c(F)c1 c1cc(ccn1)C[*:1] O=C(C[*:1])NCc1cccnc1Oc1ccc(F)c(F)c1
O=C(CCc1ccncc1)NCc1cccnc1Oc1ccc(F)c(F)c1 Fc1ccc(cc1F)O[*:1] O=C(CCc1ccncc1)NCc1cccnc1[*:1]
O=C(CCc1ccncc1)NCc1cccnc1Oc1ccc(F)c(F)c1 c1cc(ccn1)CC[*:1] O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)[*:1]
CO[C@@H](CNc1cc(-n2cccn2)nc(N)n1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNc1cc(nc(N)n1)-n1cccn1)[*:1]
CO[C@@H](CNc1cc(-n2cccn2)nc(N)n1)c1ccc(F)cc1 c1cnn(c1)[*:1] CO[C@@H](CNc1cc(nc(N)n1)[*:1])c1ccc(F)cc1
O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)N1CC[NH+](CC1)C[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](CCc2ccccc2)CC1 FC(F)(F)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])N1CC[NH+](CCc2ccccc2)CC1
O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)N1CC[NH+](CC1)CC[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)N1CC[NH+](CC1)[*:1]
Cc1ccc2nc(C3CC[NH+](Cc4cccc(C(F)(F)F)c4)CC3)[nH]c2c1 FC(F)(F)[*:1] Cc1ccc2nc([nH]c2c1)C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
NC(=S)c1cn[nH]c1NC(=O)c1cccc(O)c1 NC(=S)[*:1] O=C(Nc1[nH]ncc1[*:1])c1cccc(O)c1
COC(=O)[C@H](C)C[NH2+][C@H]1CCCC1(C)C COC(=O)[*:1] C[C@H](C[NH2+][C@H]1CCCC1(C)C)[*:1]
CCOc1ccccc1C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)[C@@H](C)[*:1]
CCOc1ccccc1C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 CCO[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)c1ccccc1[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NCC[C@@H]1CCCCN1S(=O)(=O)[*:1])c1cc(Cl)ccc1Cl
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 Clc1ccc(Cl)c(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CCNS(=O)(=O)[*:1]
CC(C)[C@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1cc2ccccc2oc1=O C1CC1[*:1] CC(C)[C@H](Cn1nc(ccc1=O)[*:1])NC(=O)c1cc2ccccc2oc1=O
CC(C)[C@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1cc2ccccc2oc1=O CC(C)[*:1] O=C(N[C@@H](Cn1nc(ccc1=O)C1CC1)[*:1])c1cc2ccccc2oc1=O
CCOC(=O)C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C(C)C)cc(=O)[nH]1 CCOC(=O)C(=O)N[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1[*:1])-c1cccs1
CCOC(=O)C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C(C)C)cc(=O)[nH]1 CC(C)[*:1] CCOC(=O)C(=O)Nc1cc(nn1-c1nc(cc(=O)[nH]1)[*:1])-c1cccs1
CCOC(=O)C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C(C)C)cc(=O)[nH]1 c1csc(c1)[*:1] CCOC(=O)C(=O)Nc1cc(nn1-c1nc(cc(=O)[nH]1)C(C)C)[*:1]
C[C@]1(C(=O)NC2CCCCCC2)Cn2c(nc3ccccc32)C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@]1(Cn2c(nc3ccccc32)C(=O)N1[*:1])C(=O)NC1CCCCCC1
C[C@]1(C(=O)NC2CCCCCC2)Cn2c(nc3ccccc32)C(=O)N1c1ccc(F)cc1 O=C(NC1CCCCCC1)[*:1] C[C@@]1(Cn2c(nc3ccccc32)C(=O)N1c1ccc(F)cc1)[*:1]
C[C@]1(C(=O)NC2CCCCCC2)Cn2c(nc3ccccc32)C(=O)N1c1ccc(F)cc1 C1CCCC(CC1)[*:1] C[C@@]1(Cn2c(nc3ccccc32)C(=O)N1c1ccc(F)cc1)C(=O)N[*:1]
C[C@@H](CCNC(=O)c1cccn1-c1cccnc1)[NH+]1CCCCCC1 c1cncc(c1)[*:1] C[C@@H](CCNC(=O)c1cccn1[*:1])[NH+]1CCCCCC1
COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccn1)c1ccccc1NC(=O)[*:1]
O=[N+]([O-])c1cnc2nc(SCc3ccc(F)cc3)nn2c1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1cnc2nc(nn2c1)SC[*:1]
O=[N+]([O-])c1cnc2nc(SCc3ccc(F)cc3)nn2c1 O=[N+]([O-])[*:1] Fc1ccc(cc1)CSc1nc2ncc(cn2n1)[*:1]
C[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] C[C@@H]1CCCN(CC1)C(=O)Nc1cc(Cl)ccc1[*:1]
CCCCCC(C)(C)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 CCCC[*:1] CC(C)(C[*:1])C(=O)N1CCC[C@H](C1)N1CCCC1=O
CCCCCC(C)(C)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 CCC[*:1] CC(C)(CC[*:1])C(=O)N1CCC[C@H](C1)N1CCCC1=O
CCCCCC(C)(C)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 O=C1CCCN1[*:1] CCCCCC(C)(C)C(=O)N1CCC[C@@H](C1)[*:1]
CCCCCC(C)(C)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 CCCCC[*:1] CC(C)(C(=O)N1CCC[C@H](C1)N1CCCC1=O)[*:1]
CCC(=O)NCCN1CN=C(c2ccccc2)[C@H]1c1[nH]c(C)c[nH+]1 CCC(=O)NC[*:1] Cc1c[nH+]c([nH]1)[C@@H]1C(=NCN1C[*:1])c1ccccc1
CCC(=O)NCCN1CN=C(c2ccccc2)[C@H]1c1[nH]c(C)c[nH+]1 CCC(=O)N[*:1] Cc1c[nH+]c([nH]1)[C@@H]1C(=NCN1CC[*:1])c1ccccc1
CCC(=O)NCCN1CN=C(c2ccccc2)[C@H]1c1[nH]c(C)c[nH+]1 CCC(=O)NCC[*:1] Cc1c[nH+]c([nH]1)[C@@H]1C(=NCN1[*:1])c1ccccc1
CCC(=O)NCCN1CN=C(c2ccccc2)[C@H]1c1[nH]c(C)c[nH+]1 c1ccc(cc1)[*:1] CCC(=O)NCCN1CN=C([C@H]1c1[nH]c(C)c[nH+]1)[*:1]
O=C(Nc1ccc(N2CCCC2=O)cc1)N1CCOc2ccccc2C1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCOc2ccccc2C1
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C(=O)c1ccc(Cl)cc1 Cc1n[nH]c(C)c1[*:1] O=C(C(=O)N1CCCCC[C@H]1[*:1])c1ccc(Cl)cc1
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C(=O)[*:1]
Cc1ccccc1-c1cc(NC(=O)[C@@H]2CCO[C@@H]2C)n(C)n1 Cc1ccccc1[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1cc(nn1C)[*:1]
Cn1c(=O)c2c(ncn2CC(=O)N2CC[NH+](C3CCCC3)CC2)n(C)c1=O C1CCC(C1)[*:1] Cn1c(=O)c2c(ncn2CC(=O)N2CC[NH+](CC2)[*:1])n(C)c1=O
CC[C@H](CC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)C(C)C O=S1(=O)CC[C@@H](C1)[*:1] CC[C@H](CC(=O)Nc1cc(nn1[*:1])C1CC1)C(C)C
CC[C@H](CC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)C(C)C CC[C@H](C[*:1])C(C)C O=C(Nc1cc(nn1[C@H]1CCS(=O)(=O)C1)C1CC1)[*:1]
CC[C@H](CC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)C(C)C C1CC1[*:1] CC[C@H](CC(=O)Nc1cc(nn1[C@H]1CCS(=O)(=O)C1)[*:1])C(C)C
CC[C@H](CC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)C(C)C CC(C)[*:1] CC[C@H](CC(=O)Nc1cc(nn1[C@H]1CCS(=O)(=O)C1)C1CC1)[*:1]
CC[C@H](CC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)C(C)C CC[C@H](C(C)C)[*:1] O=C(C[*:1])Nc1cc(nn1[C@H]1CCS(=O)(=O)C1)C1CC1
CCc1ccc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C
CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)[N-]c1ccccc1F)[*:1]
CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccc2c(c1)OCCO2 CC(C)[*:1] O=C(N[C@H](c1ccc2OCCOc2c1)[*:1])c1ccc(cc1)S(=O)(=O)[N-]c1ccccc1F
COc1cc(OC)cc([C@@H]2CCN(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)[C@@H]1CCN(C1)C(=O)N[C@@H]1C[C@H]1[*:1])OC
CCC[C@H]([NH3+])c1ccn(Cc2ccc(C#N)cc2F)c1 CCC[*:1] N#Cc1ccc(Cn2ccc(c2)[C@@H]([NH3+])[*:1])c(F)c1
CC1CCN(C(=O)NCc2ccccc2Cn2cccn2)CC1 c1cnn(c1)[*:1] CC1CCN(CC1)C(=O)NCc1ccccc1C[*:1]
CC1CCN(C(=O)NCc2ccccc2Cn2cccn2)CC1 c1cnn(c1)C[*:1] CC1CCN(CC1)C(=O)NCc1ccccc1[*:1]
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(cc1)[*:1]
COC(=O)COc1cccc(CNc2cc(C#N)nc3ccccc23)c1 COC(=O)CO[*:1] N#Cc1cc(NCc2cccc(c2)[*:1])c2ccccc2n1
COC(=O)COc1cccc(CNc2cc(C#N)nc3ccccc23)c1 COC(=O)C[*:1] N#Cc1cc(NCc2cccc(c2)O[*:1])c2ccccc2n1
COC(=O)COc1cccc(CNc2cc(C#N)nc3ccccc23)c1 COC(=O)[*:1] N#Cc1cc(NCc2cccc(c2)OC[*:1])c2ccccc2n1
O=C1N=C(NCCCO)[NH+]=C2c3ccccc3CC3(CCCC3)[C@@H]12 OCCC[*:1] O=C1N=C(N[*:1])[NH+]=C2c3ccccc3CC3(CCCC3)[C@@H]12
O=C1N=C(NCCCO)[NH+]=C2c3ccccc3CC3(CCCC3)[C@@H]12 OCC[*:1] O=C1N=C(NC[*:1])[NH+]=C2c3ccccc3CC3(CCCC3)[C@@H]12
CC(C)(CNC(=O)c1ccncc1Cl)c1ccc2c(c1)OCO2 Clc1cnccc1[*:1] CC(C)(CNC(=O)[*:1])c1ccc2OCOc2c1
CCOC(=O)c1csc(N(C)C(=O)c2cccc(Cl)c2Cl)n1 CCOC(=O)[*:1] CN(C(=O)c1cccc(Cl)c1Cl)c1nc(cs1)[*:1]
NC(=S)c1ccccc1OCCOc1ccc(F)cc1 NC(=S)[*:1] Fc1ccc(cc1)OCCOc1ccccc1[*:1]
O=C1CN(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)c2cc(Br)ccc2N1 c1ccc(cc1)[*:1] O=C1CN([C@@H](c2cc(Br)ccc2N1)[*:1])S(=O)(=O)c1ccccc1
O=C1CN(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)c2cc(Br)ccc2N1 c1ccc(cc1)[*:1] O=C1CN([C@@H](c2ccccc2)c2cc(Br)ccc2N1)S(=O)(=O)[*:1]
CCOc1ccc(SCC(=O)N2CSC[C@@H]2C(=O)[O-])cc1 CCO[*:1] O=C([O-])[C@H]1CSCN1C(=O)CSc1ccc(cc1)[*:1]
CCOc1ccc(SCC(=O)N2CSC[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] CCOc1ccc(cc1)SCC(=O)N1CSC[C@H]1[*:1]
CO[C@]1(C)C[C@@H](NC(=O)NCC(C)(C)c2ccncc2)C1(C)C c1cc(ccn1)[*:1] CO[C@]1(C)C[C@@H](NC(=O)NCC(C)(C)[*:1])C1(C)C
O=C([O-])COc1ccnc(NCc2ccc(Br)cc2)n1 O=C([O-])[*:1] Brc1ccc(cc1)CNc1nccc(n1)OC[*:1]
O=C([O-])COc1ccnc(NCc2ccc(Br)cc2)n1 O=C([O-])C[*:1] Brc1ccc(cc1)CNc1nccc(n1)O[*:1]
O=C([O-])COc1ccnc(NCc2ccc(Br)cc2)n1 O=C([O-])CO[*:1] Brc1ccc(cc1)CNc1nccc(n1)[*:1]
CCc1nncn1CCNC(=O)[C@H](C)[NH+]1CCCCCC1 CCc1nncn1[*:1] C[C@@H](C(=O)NCC[*:1])[NH+]1CCCCCC1
Cc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2[O-])c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(OCC(=O)N/N=C/c2cccc(c2[O-])[*:1])c(C)c1
Cc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2[O-])c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CO[*:1])N/N=C/c1cccc(c1[O-])[N+](=O)[O-]
Cc1cc(C)cc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(C)C2)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)C2)n(n1)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
COc1cccc(C(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)c1 C1CC1[*:1] COc1cccc(c1)C(=O)Cn1c(=O)c(C#N)cn(c1=O)[*:1]
COc1cccc(C(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)c1 COc1cccc(c1)[*:1] N#Cc1cn(c(=O)n(CC(=O)[*:1])c1=O)C1CC1
CCCOc1cccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CCCOc1cccc(c1)NC(=O)C(=O)N1CCN(CC1)[*:1]
CCCOc1cccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)c1 CCCO[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1CCN(CC1)c1ccccc1
CCCOc1cccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)c1 CCC[*:1] O=C(Nc1cccc(c1)O[*:1])C(=O)N1CCN(CC1)c1ccccc1
O=C([O-])c1nn(Cc2ccc(F)cc2)c2c1CN(C(=O)[C@H]1CC1(F)F)CC2 O=C([O-])[*:1] O=C([C@H]1CC1(F)F)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1)[*:1]
O=C([O-])c1nn(Cc2ccc(F)cc2)c2c1CN(C(=O)[C@H]1CC1(F)F)CC2 Fc1ccc(cc1)C[*:1] O=C([O-])c1nn(c2CCN(Cc12)C(=O)[C@H]1CC1(F)F)[*:1]
O=C([O-])c1nn(Cc2ccc(F)cc2)c2c1CN(C(=O)[C@H]1CC1(F)F)CC2 Fc1ccc(cc1)[*:1] O=C([O-])c1nn(C[*:1])c2CCN(Cc12)C(=O)[C@H]1CC1(F)F
NC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 NC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(F)cc1
NC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] NC(=O)Nc1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
O=[N+]([O-])c1cn(C[C@@H](O)COCc2ccc(Cl)cc2)cn1 O=[N+]([O-])[*:1] O[C@@H](COCc1ccc(Cl)cc1)Cn1cnc(c1)[*:1]
O=[N+]([O-])c1cn(C[C@@H](O)COCc2ccc(Cl)cc2)cn1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1cn(cn1)C[C@@H](O)COC[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(-c3cnco3)cc2)c1 c1ncc(o1)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(-c3cnco3)cc2)c1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1cccc(c1)NC(=O)c1ccc(cc1)-c1cnco1)[*:1]
CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 CCC[*:1] O=C([C@H]1CCCN(C1)c1nc2ccccc2nc1O[*:1])N1CCN(CC1)c1ccccc1F
CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 Fc1ccccc1[*:1] CCCOc1nc2ccccc2nc1N1CCC[C@@H](C1)C(=O)N1CCN(CC1)[*:1]
CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 CCCO[*:1] O=C([C@H]1CCCN(C1)c1nc2ccccc2nc1[*:1])N1CCN(CC1)c1ccccc1F
CCOC(=O)c1ccc(NC(=O)c2ccc(/C=N/OC)cc2)cc1 CON=C[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(NC(=O)c2ccc(/C=N/OC)cc2)cc1 CCOC(=O)[*:1] CO/N=C/c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
O=C1C[C@@H](Nc2ccc(F)cc2)C(=O)N1c1ccccc1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](N[*:1])C(=O)N1c1ccccc1
O=C1C[C@@H](Nc2ccc(F)cc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](Nc2ccc(F)cc2)C(=O)N1[*:1]
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(NC(=O)C2CC2)nc1 CC[C@@H](C)[*:1] O=C(Nc1ccc(cn1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1])C1CC1
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(NC(=O)C2CC2)nc1 O=C(N[*:1])C1CC1 CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(nc1)[*:1]
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(NC(=O)C2CC2)nc1 C1CC1[*:1] CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(nc1)NC(=O)[*:1]
Cc1ccc(N2CC[C@H](C(=O)NCc3nc(C)c(C)s3)C2=O)cc1 Cc1nc(C[*:1])sc1C Cc1ccc(cc1)N1CC[C@H](C(=O)N[*:1])C1=O
Cc1ccc(N2CC[C@H](C(=O)NCc3nc(C)c(C)s3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1nc(CNC(=O)[C@H]2CCN(C2=O)[*:1])sc1C
Cc1ccc(N2CC[C@H](C(=O)NCc3nc(C)c(C)s3)C2=O)cc1 Cc1nc(sc1C)[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)NC[*:1])C1=O
CC(=O)N1CCN([C@H](C)C(=O)NCCC(C)C)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)[C@H](C)C(=O)NCC[*:1]
CC(=O)N1CCN([C@H](C)C(=O)NCCC(C)C)CC1 CC(C)CC[*:1] CC(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
CC(=O)N1CCN([C@H](C)C(=O)NCCC(C)C)CC1 CC(C)C[*:1] CC(=O)N1CCN(CC1)[C@H](C)C(=O)NC[*:1]
O=C(NCC1(c2ccc(F)cc2)CCC1)c1sccc1OC(F)F FC(F)[*:1] O=C(NCC1(CCC1)c1ccc(F)cc1)c1sccc1O[*:1]
O=C(NCC1(c2ccc(F)cc2)CCC1)c1sccc1OC(F)F Fc1ccc(cc1)[*:1] O=C(NCC1(CCC1)[*:1])c1sccc1OC(F)F
O=C(NCC1(c2ccc(F)cc2)CCC1)c1sccc1OC(F)F FC(F)O[*:1] O=C(NCC1(CCC1)c1ccc(F)cc1)c1sccc1[*:1]
CCCCCCN1CC2(CCN(C(=O)c3ccnc(CC)c3)CC2)OC1=O CCCC[*:1] CCc1cc(ccn1)C(=O)N1CCC2(CC1)CN(CC[*:1])C(=O)O2
CCCCCCN1CC2(CCN(C(=O)c3ccnc(CC)c3)CC2)OC1=O CCC[*:1] CCc1cc(ccn1)C(=O)N1CCC2(CC1)CN(CCC[*:1])C(=O)O2
CCCCCCN1CC2(CCN(C(=O)c3ccnc(CC)c3)CC2)OC1=O CCCCCC[*:1] CCc1cc(ccn1)C(=O)N1CCC2(CC1)CN(C(=O)O2)[*:1]
CCCCCCN1CC2(CCN(C(=O)c3ccnc(CC)c3)CC2)OC1=O CCc1cc(ccn1)[*:1] CCCCCCN1CC2(CCN(CC2)C(=O)[*:1])OC1=O
CCCCCCN1CC2(CCN(C(=O)c3ccnc(CC)c3)CC2)OC1=O CCCCC[*:1] CCc1cc(ccn1)C(=O)N1CCC2(CC1)CN(C[*:1])C(=O)O2
COC(=O)c1ccc(NC(=O)[C@H]2CS[C@]3(c4ccccc4)CCC(=O)N23)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CS[C@@]2(CCC(=O)N12)c1ccccc1
COC(=O)c1ccc(NC(=O)[C@H]2CS[C@]3(c4ccccc4)CCC(=O)N23)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@H]1CS[C@@]2(CCC(=O)N12)[*:1]
O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc2c([nH]c1=O)CCCC2 Clc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cc2CCCCc2[nH]c1=O
Cc1ccsc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 Cc1ccsc1[*:1] C[C@H](NC(=O)[*:1])c1ccc(F)c(F)c1
CC[NH+]1CCN(c2c(Br)cc(C)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)c1c(Br)cc(C)cc1[*:1]
Cc1ccccc1-n1ccnc1SCC(=O)N1CC[C@H](C)[C@@H](O)C1 Cc1ccccc1[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)CSc1nccn1[*:1]
CCn1ncc([C@H](C)[NH2+]Cc2sccc2C)c1C Cc1ccsc1[*:1] CCn1ncc(c1C)[C@H](C)[NH2+]C[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 CC[C@H](C)[*:1] C[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)[*:1])c1cccc(C#N)c1
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 O=C(N[*:1])c1ccccc1 CC[C@H](C)[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)[*:1])C(=O)N[C@@H](C)c1cccc(C#N)c1
CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NCC2CCC2)cc1 CCC(C)(C)NC(=O)[*:1] O=C(NCC1CCC1)C(=O)Nc1ccc(cc1)[*:1]
CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NCC2CCC2)cc1 C1CC(C1)[*:1] CCC(C)(C)NC(=O)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NCC2CCC2)cc1 CCC(C)(C)[*:1] O=C(NCC1CCC1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NCC2CCC2)cc1 C1CC(C1)C[*:1] CCC(C)(C)NC(=O)c1ccc(cc1)NC(=O)C(=O)N[*:1]
CC[C@H](NC(=O)c1ccc(C)cc1N)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)c1ccc(C)cc1N)[*:1]
CCOc1ccc(CCC(=O)NC2(C(N)=O)CCCC2)cc1 CCO[*:1] NC(=O)C1(CCCC1)NC(=O)CCc1ccc(cc1)[*:1]
CCOc1ccc(CCC(=O)NC2(C(N)=O)CCCC2)cc1 NC(=O)[*:1] CCOc1ccc(cc1)CCC(=O)NC1(CCCC1)[*:1]
NC1=[NH+]C[C@H](c2cccs2)N1c1ccc(Br)cc1 c1csc(c1)[*:1] NC1=[NH+]C[C@H](N1c1ccc(Br)cc1)[*:1]
COc1ccc(OC[C@H](C)NS(C)(=O)=O)cc1 CS(=O)(=O)N[*:1] COc1ccc(cc1)OC[C@H](C)[*:1]
Cc1nn(C)c(Cl)c1COC(=O)C[C@H]1Sc2ccccc2NC1=O Cc1nn(C)c(Cl)c1[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)OC[*:1]
Cc1ccc(C[C@H]2NN3C(=NC2=O)N=N[C@H]3SCc2ccccc2C)cc1 Cc1ccccc1CS[*:1] Cc1ccc(cc1)C[C@H]1NN2C(N=N[C@@H]2[*:1])=NC1=O
Cc1ccc(C[C@H]2NN3C(=NC2=O)N=N[C@H]3SCc2ccccc2C)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)C[C@H]1NN2C(N=N[C@H]2SC[*:1])=NC1=O
Cc1ccc(C[C@H]2NN3C(=NC2=O)N=N[C@H]3SCc2ccccc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1ccccc1CS[C@@H]1N=NC2=NC(=O)[C@H](NN21)[*:1]
Cc1ccc(C[C@H]2NN3C(=NC2=O)N=N[C@H]3SCc2ccccc2C)cc1 Cc1ccccc1C[*:1] Cc1ccc(cc1)C[C@H]1NN2C(N=N[C@H]2S[*:1])=NC1=O
Cc1ccc(C[C@H]2NN3C(=NC2=O)N=N[C@H]3SCc2ccccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1CS[C@@H]1N=NC2=NC(=O)[C@@H](C[*:1])NN21
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CC1CC1)c1ccccc1 C1CC1[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)N(C[*:1])c1ccccc1
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CC1CC1)c1ccccc1 C1CC1C[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)N(c1ccccc1)[*:1]
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CC1CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)N(CC1CC1)[*:1]
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CC1CC1)c1ccccc1 C1CCN(C1)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])[*:1])N(CC1CC1)c1ccccc1
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CC1CC1)c1ccccc1 O=[N+]([O-])[*:1] O=C(c1ccc(c(c1)[*:1])N1CCCC1)N(CC1CC1)c1ccccc1
Cn1ncc(C(=O)NCc2ccc(F)cc2)c1C(=O)[O-] O=C([O-])[*:1] Cn1ncc(C(=O)NCc2ccc(F)cc2)c1[*:1]
Cc1cccc(Nc2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)c1 CC(C)[*:1] Cc1cccc(c1)Nc1ccc(cn1)S(=O)(=O)N(C(C)C)[*:1]
Cc1cccc(Nc2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)c1 Cc1cccc(c1)N[*:1] CC(C)N(C(C)C)S(=O)(=O)c1ccc(nc1)[*:1]
Cc1cccc(Nc2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)c1 Cc1cccc(c1)[*:1] CC(C)N(C(C)C)S(=O)(=O)c1ccc(nc1)N[*:1]
O=C(NN1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(NN1CCOCC1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(NN1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 O=C(NN1CCOCC1)[C@@H]1CC(=O)N(C1)[*:1]
COc1cccc2c1OC[C@H](NC(=O)CNC(=O)CC(C)(C)C)C2 CC(C)(C)[*:1] COc1cccc2C[C@H](COc21)NC(=O)CNC(=O)C[*:1]
COc1cccc2c1OC[C@H](NC(=O)CNC(=O)CC(C)(C)C)C2 CC(C)(C)C[*:1] COc1cccc2C[C@H](COc21)NC(=O)CNC(=O)[*:1]
COc1cccc2c1OC[C@H](NC(=O)CNC(=O)CC(C)(C)C)C2 CC(C)(C)CC(=O)N[*:1] COc1cccc2C[C@H](COc21)NC(=O)C[*:1]
COC(=O)c1cccc(C)c1NCCOc1cccc(Cl)c1Cl COC(=O)[*:1] Cc1cccc(c1NCCOc1cccc(Cl)c1Cl)[*:1]
Cn1cncc1CN1C(=O)C(=O)c2ccccc21 Cn1cncc1[*:1] O=C1C(=O)N(C[*:1])c2ccccc21
Cc1nnc(NC(=O)c2cc3c(s2)CCCCCC3)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])c1cc2CCCCCCc2s1
O=C(c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(c1csc(n1)-c1ccc(cc1)OC[*:1])N1CCCC1
O=C(c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1)N1CCCC1 Fc1ccc(cc1)CO[*:1] O=C(c1csc(n1)-c1ccc(cc1)[*:1])N1CCCC1
O=C(c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1)N1CCCC1 O=C(N1CCCC1)[*:1] Fc1ccc(cc1)COc1ccc(cc1)-c1nc(cs1)[*:1]
O=C(c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1)N1CCCC1 Fc1ccc(cc1)C[*:1] O=C(c1csc(n1)-c1ccc(cc1)O[*:1])N1CCCC1
O=C(Oc1ccc2ccc(=O)oc2c1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Oc1ccc2ccc(=O)oc2c1)[*:1]
COc1cc(C)ccc1NC(=O)C1CCC1 C1CC(C1)[*:1] COc1cc(C)ccc1NC(=O)[*:1]
Cc1ncc(CC(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)c(=O)[nH]1 Cc1ncc(C[*:1])c(=O)[nH]1 C[C@@]1(CCCN(C1)C(=O)[*:1])Cc1ccc2OCOc2c1
Cc1ncc(CC(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)c(=O)[nH]1 Cc1ncc(c(=O)[nH]1)[*:1] C[C@@]1(CCCN(C1)C(=O)C[*:1])Cc1ccc2OCOc2c1
Cc1ncc(CC(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)c(=O)[nH]1 c1cc2OCOc2cc1[*:1] Cc1ncc(CC(=O)N2CCC[C@@](C)(C2)C[*:1])c(=O)[nH]1
CC1(C)SC[C@H](C(=O)N2CCC(OCc3cccnc3)CC2)NC1=O c1cncc(c1)C[*:1] CC1(C)SC[C@@H](NC1=O)C(=O)N1CCC(CC1)O[*:1]
CC1(C)SC[C@H](C(=O)N2CCC(OCc3cccnc3)CC2)NC1=O c1cncc(c1)CO[*:1] CC1(C)SC[C@@H](NC1=O)C(=O)N1CCC(CC1)[*:1]
CC1(C)SC[C@H](C(=O)N2CCC(OCc3cccnc3)CC2)NC1=O c1cncc(c1)[*:1] CC1(C)SC[C@@H](NC1=O)C(=O)N1CCC(CC1)OC[*:1]
COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)c1 CC(C)[*:1] COc1cc(cc(c1)[C@@H]1CCN(C1)C(=O)c1cc(no1)[*:1])OC
COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)c1 CC(C)c1cc(on1)[*:1] COc1cc(cc(c1)[C@@H]1CCN(C1)C(=O)[*:1])OC
CCc1nn(C)cc1C[NH2+]Cc1ccc(F)cc1CSC CSC[*:1] CCc1nn(C)cc1C[NH2+]Cc1ccc(F)cc1[*:1]
CN(C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1F c1ccc(cc1)[*:1] CN(C(=O)c1cn(nc1[*:1])-c1ccccc1)c1ccccc1F
CN(C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1F c1ccc(cc1)[*:1] CN(C(=O)c1cn(nc1-c1ccccc1)[*:1])c1ccccc1F
CN(C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1F Fc1ccccc1[*:1] CN(C(=O)c1cn(nc1-c1ccccc1)-c1ccccc1)[*:1]
C#CCN1CCN(CC(=O)Nc2nc3ccc(F)cc3s2)CC1 C#CC[*:1] O=C(CN1CCN(CC1)[*:1])Nc1nc2ccc(F)cc2s1
CC1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCCC1 CC1(CCCC1)C[*:1] O=C(Nc1ccc(cc1)CC[NH+]1CCSCC1)C(=O)N[*:1]
CC1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCCC1 CC1(CCCC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)CC[NH+]1CCSCC1
CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)[C@H]1CNC(=O)C1 COC(=O)[*:1] CC[C@H](c1ccccc1)N(C[*:1])C(=O)[C@H]1CNC(=O)C1
CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)[C@H]1CNC(=O)C1 c1ccc(cc1)[*:1] CC[C@H](N(CC(=O)OC)C(=O)[C@H]1CNC(=O)C1)[*:1]
CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)[C@H]1CNC(=O)C1 COC(=O)C[*:1] CC[C@H](c1ccccc1)N(C(=O)[C@H]1CNC(=O)C1)[*:1]
Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)C1(NC(=O)N(CC(=O)NCC[*:1])C1=O)c1ccc(C)cc1
Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C1(NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O)[*:1]
Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)cc1 Fc1ccc(cc1)CC[*:1] Cc1ccc(cc1)C1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(C)cc1
Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)C1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1ccc(C)cc1
O=C(C(=O)N1CC[C@H](c2ccccc2)C1)c1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(C(=O)N1CC[C@H](C1)[*:1])c1ccc(Br)cc1
O=C(C(=O)N1CC[C@H](c2ccccc2)C1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(C(=O)[*:1])N1CC[C@@H](C1)c1ccccc1
C[C@H]1C[C@@H]([C@H](O)c2c[nH]nc2-c2ccccc2)CC[C@H]1C c1ccc(cc1)[*:1] C[C@H]1C[C@H](CC[C@H]1C)[C@H](O)c1c[nH]nc1[*:1]
C[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 C[C@H](c1ccncc1)[*:1] CN(C(=O)N[C@@H]1CCN(C1)c1cccc(Cl)c1)[*:1]
C[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 c1cc(ccn1)[*:1] C[C@H](N(C)C(=O)N[C@@H]1CCN(C1)c1cccc(Cl)c1)[*:1]
C[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] C[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CCN(C1)[*:1]
CCCN(CC(C)(C)C[NH3+])[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] CCCN(CC(C)(C)C[NH3+])[*:1]
CCCN(CC(C)(C)C[NH3+])[C@@H]1CCSC1 CCC[*:1] CC(C)(C[NH3+])CN([C@@H]1CCSC1)[*:1]
CCCN(CC(C)(C)C[NH3+])[C@@H]1CCSC1 CC(C)(C[NH3+])[*:1] CCCN(C[*:1])[C@@H]1CCSC1
C[C@@H]1Oc2ccccc2C=C1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H]1Oc2ccccc2C=C1/C=C(\C#N)S(=O)(=O)[*:1]
CCOc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 c1cc(ccn1)C[*:1] CCOc1ccccc1N1CC[NH+](CC1)C[*:1]
CCOc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 c1cc(ccn1)[*:1] CCOc1ccccc1N1CC[NH+](CC1)CC[*:1]
CCOc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 CCO[*:1] c1ccc(c(c1)N1CC[NH+](CCc2ccncc2)CC1)[*:1]
Cc1nn(Cc2ccc(C(=O)NC(C)(C)C)o2)c(C)c1Br CC(C)(C)[*:1] Cc1nn(Cc2ccc(o2)C(=O)N[*:1])c(C)c1Br
Cc1nn(Cc2ccc(C(=O)NC(C)(C)C)o2)c(C)c1Br CC(C)(C)NC(=O)[*:1] Cc1nn(Cc2ccc(o2)[*:1])c(C)c1Br
Cc1cc(NC(=O)c2ccc(C)s2)n(Cc2ccccc2)n1 Cc1ccc(s1)[*:1] Cc1cc(NC(=O)[*:1])n(Cc2ccccc2)n1
Cc1cc(NC(=O)c2ccc(C)s2)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)c2ccc(C)s2)n(C[*:1])n1
Cc1cc(NC(=O)c2ccc(C)s2)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)c2ccc(C)s2)n(n1)[*:1]
C[C@@H]1C[C@](Nc2ccccc2F)(C(=O)[O-])CS1 O=C([O-])[*:1] C[C@@H]1C[C@@](CS1)(Nc1ccccc1F)[*:1]
C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(CCO)C1CCCC1 OCC[*:1] C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C1CCCC1)[*:1]
C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(CCO)C1CCCC1 C1CCC(C1)[*:1] C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(CCO)[*:1]
COc1cccc(OC)c1OCc1cccc(C(N)=O)c1 NC(=O)[*:1] COc1cccc(OC)c1OCc1cccc(c1)[*:1]
COC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CCCCCC2 COC(=O)[*:1] O=C(Nc1sc2CCCCCCc2c1[*:1])c1cc2ccccc2oc1=O
C[C@@H](O)CN(C)C(=O)NCC1(c2c(F)cccc2F)CCCC1 C[C@@H](O)[*:1] CN(C[*:1])C(=O)NCC1(CCCC1)c1c(F)cccc1F
C[C@@H](O)CN(C)C(=O)NCC1(c2c(F)cccc2F)CCCC1 C[C@@H](O)C[*:1] CN(C(=O)NCC1(CCCC1)c1c(F)cccc1F)[*:1]
COC[C@@H](C)NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 COC[C@@H](C)[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)N[*:1]
COC[C@@H](C)NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 COC[*:1] C[C@@H](NC(=O)Cn1c(nc2ccccc21)C(F)(F)F)[*:1]
COC[C@@H](C)NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] COC[C@@H](C)NC(=O)Cn1c(nc2ccccc21)[*:1]
O=C(Nc1c(F)cccc1F)N1CCC2(CCc3ccccc3O2)CC1 Fc1cccc(F)c1[*:1] O=C(N[*:1])N1CCC2(CCc3ccccc3O2)CC1
CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 CC[C@H](C)NC(=O)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)[*:1]
CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 CC[C@H](C)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
CCc1noc(CC)c1CNC(=O)[C@@H](C(C)C)N1CCCC1=O CC(C)[*:1] CCc1noc(CC)c1CNC(=O)[C@@H](N1CCCC1=O)[*:1]
CCc1noc(CC)c1CNC(=O)[C@@H](C(C)C)N1CCCC1=O O=C1CCCN1[*:1] CCc1noc(CC)c1CNC(=O)[C@@H](C(C)C)[*:1]
CC[C@H]1CCC[C@H](NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)c1n[nH]c(C)c1[*:1]
CCCc1nc(C)c(C(=O)N2C[C@H](C)CC[C@@H]2C)s1 CCC[*:1] Cc1nc(sc1C(=O)N1C[C@H](C)CC[C@@H]1C)[*:1]
C[NH+](C)CCNC(=O)[C@@H]1[N-]C(C2=CC=C[C@@H]3N=CC=C23)=NO1 C[NH+](C)CC[*:1] O=C(N[*:1])[C@@H]1[N-]C(=NO1)C1=CC=C[C@@H]2N=CC=C12
CON(C)C(=O)CN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 CON(C)C(=O)C[*:1] C[C@@H](c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
CON(C)C(=O)CN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CON(C)C(=O)CN1CCN(CC1)[C@@H](C)[*:1]
CON(C)C(=O)CN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 CON(C)C(=O)[*:1] C[C@@H](c1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
Cc1ccn(-c2ccc(N3CCN(C(=O)C(=O)NC4CC4)CC3)nn2)n1 C1CC1[*:1] Cc1ccn(n1)-c1ccc(nn1)N1CCN(CC1)C(=O)C(=O)N[*:1]
Cc1ccn(-c2ccc(N3CCN(C(=O)C(=O)NC4CC4)CC3)nn2)n1 Cc1ccn(n1)[*:1] O=C(NC1CC1)C(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OCC c1cc2OCOc2cc1C[*:1] CCOc1ccc(cc1OCC)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1Cc1ccc2OCOc2c1
CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1Cc1ccc2OCOc2c1
CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OCC CCOc1ccc(cc1OCC)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1Cc1ccc2OCOc2c1)[*:1]
CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OCC c1cc2OCOc2cc1[*:1] CCOc1ccc(cc1OCC)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1C[*:1]
O=C(NCC[NH2+]C1CCCCC1)c1ccc(Br)cc1 C1CCC(CC1)[*:1] O=C(NCC[NH2+][*:1])c1ccc(Br)cc1
C[C@]([NH3+])(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@]([NH3+])(C[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
CCCOc1ccc(C[NH2+]C2CCC(O)CC2)cc1OC CCCO[*:1] COc1cc(ccc1[*:1])C[NH2+]C1CCC(O)CC1
CCCOc1ccc(C[NH2+]C2CCC(O)CC2)cc1OC CCC[*:1] COc1cc(ccc1O[*:1])C[NH2+]C1CCC(O)CC1
NCC#Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)O3)cs1 NCC#C[*:1] O=C(c1csc(c1)[*:1])N1C[C@@H]2CC[C@H](C1)O2
Cn1c(CNC(=O)Nc2cc(F)ccc2N2CCCCC2)n[nH]c1=S C1CCN(CC1)[*:1] Cn1c(CNC(=O)Nc2cc(F)ccc2[*:1])n[nH]c1=S
Cn1c(CNC(=O)Nc2cc(F)ccc2N2CCCCC2)n[nH]c1=S Cn1c(n[nH]c1=S)[*:1] O=C(NC[*:1])Nc1cc(F)ccc1N1CCCCC1
Cn1c(CNC(=O)Nc2cc(F)ccc2N2CCCCC2)n[nH]c1=S Cn1c(C[*:1])n[nH]c1=S O=C(Nc1cc(F)ccc1N1CCCCC1)N[*:1]
CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)ncn3n2)cc1 CCOc1ccc(cc1)[*:1] O=C(Cn1ncn2nc(cc2c1=O)[*:1])Nc1ccc2OCOc2c1
CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)ncn3n2)cc1 CCO[*:1] O=C(Cn1ncn2nc(cc2c1=O)-c1ccc(cc1)[*:1])Nc1ccc2OCOc2c1
CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)ncn3n2)cc1 c1cc2OCOc2cc1[*:1] CCOc1ccc(cc1)-c1cc2c(=O)n(CC(=O)N[*:1])ncn2n1
CCCOC[C@@H](O)c1ccc2nccnc2c1 CCCO[*:1] O[C@H](C[*:1])c1ccc2nccnc2c1
CCCOC[C@@H](O)c1ccc2nccnc2c1 CCCOC[*:1] O[C@@H](c1ccc2nccnc2c1)[*:1]
CCCOC[C@@H](O)c1ccc2nccnc2c1 CCC[*:1] O[C@H](CO[*:1])c1ccc2nccnc2c1
C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=C[*:1])NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)[O-]
C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] CC(C)(C)[*:1] C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(cc1)[*:1])C(=O)[O-]
C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] CC(C)(C)c1ccc(cc1)[*:1] C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)[*:1])C(=O)[O-]
C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(cc1)C(C)(C)C)[*:1]
Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)[C@H]2N=[NH+]C(=S)N2)cc1 Cc1ccc(cc1)[*:1] O=C(N/C(=C/c1ccccc1Cl)[C@H]1N=[NH+]C(=S)N1)[*:1]
Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)[C@H]2N=[NH+]C(=S)N2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)C(=O)NC(=C[*:1])[C@H]1N=[NH+]C(=S)N1
COC(=O)c1ccc([C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)o1 COC(=O)[*:1] C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)c1ccc(o1)[*:1]
COC(=O)c1ccc([C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)o1 c1ccc(cc1)[*:1] COC(=O)c1ccc(o1)[C@H](C)Sc1nn(c(=S)s1)[*:1]
Clc1ccccc1COC[C@@H]1CO1 C1O[C@@H]1[*:1] Clc1ccccc1COC[*:1]
Clc1ccccc1COC[C@@H]1CO1 C1O[C@@H]1C[*:1] Clc1ccccc1CO[*:1]
O=C(Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C CCCS(=O)(=O)[*:1] Cc1ccc(c(C)c1NC(=O)[C@H](C)[*:1])[N+](=O)[O-]
CCCS(=O)(=O)[C@@H](C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CCCS(=O)(=O)[C@@H](C)C(=O)Nc1c(C)ccc(c1C)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C CCC[*:1] Cc1ccc(c(C)c1NC(=O)[C@H](C)S(=O)(=O)[*:1])[N+](=O)[O-]
CCc1nn(C)cc1NC(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1 CCc1nn(C)cc1[*:1] O=C(N[C@H](CO)c1cc(F)c(F)c(F)c1)N[*:1]
CC(=O)N(c1cccc(C)c1)[C@@H]1N=C(CSc2nc(N)n[nH]2)CS1 Nc1n[nH]c(n1)SC[*:1] CC(=O)N(c1cccc(C)c1)[C@@H]1N=C(CS1)[*:1]
CC(=O)N(c1cccc(C)c1)[C@@H]1N=C(CSc2nc(N)n[nH]2)CS1 Cc1cccc(c1)[*:1] CC(=O)N([C@@H]1N=C(CSc2nc(N)n[nH]2)CS1)[*:1]
CC(=O)N(c1cccc(C)c1)[C@@H]1N=C(CSc2nc(N)n[nH]2)CS1 Nc1n[nH]c(n1)[*:1] CC(=O)N(c1cccc(C)c1)[C@@H]1N=C(CS1)CS[*:1]
CC(=O)N(c1cccc(C)c1)[C@@H]1N=C(CSc2nc(N)n[nH]2)CS1 Nc1n[nH]c(n1)S[*:1] CC(=O)N(c1cccc(C)c1)[C@@H]1N=C(CS1)C[*:1]
C#CCOCOCC#C[C@H](C)CCC=C C#CCOC[*:1] C=CCC[C@@H](C)C#CCO[*:1]
C#CCOCOCC#C[C@H](C)CCC=C C#CCO[*:1] C=CCC[C@@H](C)C#CCOC[*:1]
C#CCOCOCC#C[C@H](C)CCC=C C=CC[*:1] C#CCOCOCC#C[C@H](C)C[*:1]
C#CCOCOCC#C[C@H](C)CCC=C C#CC[*:1] C=CCC[C@@H](C)C#CCOCO[*:1]
C#CCOCOCC#C[C@H](C)CCC=C C=CCC[*:1] C#CCOCOCC#C[C@H](C)[*:1]
C[C@@H](C(=O)Nc1cccc(Cl)c1)n1c(=O)oc2ccccc21 Clc1cccc(c1)[*:1] C[C@@H](C(=O)N[*:1])n1c(=O)oc2ccccc21
CCNC(=S)N(Cc1cccnc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O c1cncc(c1)C[*:1] CCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)[*:1]
CCNC(=S)N(Cc1cccnc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O c1cncc(c1)[*:1] CCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[*:1]
CC(C)(CNC(=O)CCC(=O)c1ccc(Cl)s1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)CCC(=O)c1ccc(Cl)s1)[*:1]
CC(C)(CNC(=O)CCC(=O)c1ccc(Cl)s1)c1ccncc1 Clc1ccc(s1)[*:1] CC(C)(CNC(=O)CCC(=O)[*:1])c1ccncc1
Fc1ccccc1CN1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 Fc1ccccc1[*:1] c1ccc2c(c[nH]c2c1)Cc1nnc(o1)[C@H]1CCN(C1)C[*:1]
Fc1ccccc1CN1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 c1ccc2c(c[nH]c2c1)[*:1] Fc1ccccc1CN1CC[C@@H](C1)c1nnc(C[*:1])o1
Fc1ccccc1CN1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 Fc1ccccc1C[*:1] c1ccc2c(c[nH]c2c1)Cc1nnc(o1)[C@H]1CCN(C1)[*:1]
Cc1ccc(N2C[C@H](NS(=O)(=O)c3cccnc3)CC2=O)cc1C c1cncc(c1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)NS(=O)(=O)[*:1]
Cc1ccc(N2C[C@H](NS(=O)(=O)c3cccnc3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C1C[C@H](CN1[*:1])NS(=O)(=O)c1cccnc1
CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)NCc1ccccn1)C2 CN(C)C(=O)[*:1] O=C(NCc1ccccn1)[C@@H]1CCc2sc(cc2C1)[*:1]
CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)NCc1ccccn1)C2 c1ccc(C[*:1])nc1 CN(C)C(=O)c1cc2C[C@@H](CCc2s1)C(=O)N[*:1]
CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)NCc1ccccn1)C2 c1ccc(nc1)[*:1] CN(C)C(=O)c1cc2C[C@@H](CCc2s1)C(=O)NC[*:1]
C/C(=C\CC[NH2+]C(C)(C)C)CC1CCC1 CC(C)(C)[*:1] C/C(=C\CC[NH2+][*:1])CC1CCC1
C/C(=C\CC[NH2+]C(C)(C)C)CC1CCC1 C1CC(C1)C[*:1] CC(=CCC[NH2+]C(C)(C)C)[*:1]
C/C(=C\CC[NH2+]C(C)(C)C)CC1CCC1 C1CC(C1)[*:1] C/C(=C\CC[NH2+]C(C)(C)C)C[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@@H](C)C2CCOCC2)C1 C1CC(CCO1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)[C@@H](C)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@@H](C)C2CCOCC2)C1 COC(=O)[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)C(C)(C)[*:1])C1CCOCC1
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@@H](C)C2CCOCC2)C1 COC(=O)C(C)(C)[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)[*:1])C1CCOCC1
Cc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)Cc1ccc(cc1)OC(F)F
Cc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1C(=O)N(C)C FC(F)O[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)Cc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1C(=O)N(C)C FC(F)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)Cc1ccc(cc1)O[*:1]
N/C(=N\OC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 c1ccc(cc1)CC[*:1] N/C(=N\OC(=O)c1ccccc1[*:1])c1ccccc1
N/C(=N\OC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] N/C(=N\OC(=O)c1ccccc1C[*:1])c1ccccc1
N/C(=N\OC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] N/C(=N\OC(=O)c1ccccc1CCc1ccccc1)[*:1]
N/C(=N\OC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] N/C(=N\OC(=O)c1ccccc1CC[*:1])c1ccccc1
CC(=O)Nc1ccc(F)c(C(=O)N2CC[C@H](Cc3ccccc3)C2)c1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)N1CC[C@H](C1)[*:1]
CC(=O)Nc1ccc(F)c(C(=O)N2CC[C@H](Cc3ccccc3)C2)c1 CC(=O)N[*:1] O=C(c1cc(ccc1F)[*:1])N1CC[C@H](Cc2ccccc2)C1
CC(=O)Nc1ccc(F)c(C(=O)N2CC[C@H](Cc3ccccc3)C2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)N1CC[C@@H](C1)C[*:1]
O=C(CC1CCCC1)Nc1nnc(SCc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] O=C(CC1CCCC1)Nc1nnc(SC[*:1])s1
O=C(CC1CCCC1)Nc1nnc(SCc2ccc(F)cc2)s1 C1CCC(C1)C[*:1] O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[*:1]
O=C(CC1CCCC1)Nc1nnc(SCc2ccc(F)cc2)s1 C1CCC(C1)[*:1] O=C(C[*:1])Nc1nnc(SCc2ccc(F)cc2)s1
CCc1nn(C)c(OC)c1CNc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCc1nn(C)c(OC)c1CNc1ccc(cc1)[*:1]
Cc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(OC[C@H]2CO2)cc1 FC(F)(F)[*:1] Cc1nc(ccc1C(=O)N/N=C/c1ccc(cc1)OC[C@H]1CO1)[*:1]
Cc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(OC[C@H]2CO2)cc1 C1O[C@H]1CO[*:1] Cc1nc(ccc1C(=O)N/N=C/c1ccc(cc1)[*:1])C(F)(F)F
CC(C)(CN1C[C@@H]2C[NH2+]C[C@H]2C1(C)C)C(=O)[O-] O=C([O-])[*:1] CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1CC(C)(C)[*:1]
CCOc1ccc(C(=O)CSc2ccccc2)cc1 CCO[*:1] O=C(CSc1ccccc1)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)CSc2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)CS[*:1]
COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(OC)c(OC)c(OC)c3)sc2c1 COc1ccc2nc(sc2c1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CC(=O)Nc2c1c(C)nn2[*:1]
C[C@H](OC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(F)c1 C1CC1C[*:1] C[C@H](OC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1cccc(F)c1
C[C@H](OC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(F)c1 C1CC1[*:1] C[C@H](OC(=O)[C@@H]1CC(=O)N(C1)C[*:1])c1cccc(F)c1
C[C@H](OC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](OC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)[*:1]
C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)c1cccs1 c1csc(c1)[*:1] C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[*:1]
O=C(Nc1cc(C#CCO)ccc1Cl)N[C@@H]1CCOC1 OCC#C[*:1] O=C(Nc1cc(ccc1Cl)[*:1])N[C@@H]1CCOC1
O=C(Nc1cc(C#CCO)ccc1Cl)N[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C(Nc1cc(C#CCO)ccc1Cl)N[*:1]
COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 C1CN(CCO1)[*:1] COC(=O)c1ccc(c(c1)NC(=S)NC(=O)c1cc(Cl)ccc1Cl)[*:1]
COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 Clc1ccc(Cl)c(c1)[*:1] COC(=O)c1ccc(c(c1)NC(=S)NC(=O)[*:1])N1CCOCC1
COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 COC(=O)[*:1] O=C(NC(=S)Nc1cc(ccc1N1CCOCC1)[*:1])c1cc(Cl)ccc1Cl
CC[C@H](C)[C@H]([NH3+])[C@H](O)C(F)(F)F FC(F)(F)[*:1] CC[C@H](C)[C@H]([NH3+])[C@H](O)[*:1]
CC[C@H](C)[C@H]([NH3+])[C@H](O)C(F)(F)F CC[C@H](C)[*:1] [NH3+][C@H]([C@H](O)C(F)(F)F)[*:1]
CC[C@H]([NH2+]Cc1ccccn1)c1ccc(OC)cc1 c1ccc(nc1)[*:1] CC[C@H]([NH2+]C[*:1])c1ccc(cc1)OC
Cc1ccc(C)c(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)c1 CC(C)(C)NC(=O)[*:1] Cc1ccc(C)c(c1)N(C[*:1])S(C)(=O)=O
Cc1ccc(C)c(N(CC(=O)NC(C)(C)C)S(C)(=O)=O)c1 CC(C)(C)[*:1] Cc1ccc(C)c(c1)N(CC(=O)N[*:1])S(C)(=O)=O
Cc1ccc(C[C@H](C)NC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](C[*:1])NC(=O)C=C1CN(C1)C(=O)OC(C)(C)C
Cc1ccc(C[C@H](C)NC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)c(C)c1 CC(C)(C)[*:1] Cc1ccc(C[C@H](C)NC(=O)C=C2CN(C2)C(=O)O[*:1])c(C)c1
O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 c1coc(c1)[*:1] O=C1N/C(=N\N=C[*:1])S[C@H]1Cc1ccc(Cl)c(Cl)c1
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1ccccn1 FC(F)(F)[*:1] C[C@@H](Cc1cccc(c1)[*:1])C(=O)N(C)c1ccccn1
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N(C)[*:1]
C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2S(C)(=O)=O)o1 CS(=O)(=O)[*:1] C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2[*:1])o1
O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CCC(c2nc3ccccc3s2)CC1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(CN1C(=O)N[C@H](C1=O)[*:1])N1CCC(CC1)c1nc2ccccc2s1
O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CCC(c2nc3ccccc3s2)CC1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CN1C(=O)N[C@H](C[*:1])C1=O)N1CCC(CC1)c1nc2ccccc2s1
O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CCC(c2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CCC(CC1)[*:1]
Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] Cn1nc(cc1NC(=O)CSc1nnc(C2CC2)n1[*:1])-c1ccc(Cl)cc1
Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(C2CC2)n1C1CC1 Clc1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)CSc1nnc(C2CC2)n1C1CC1)[*:1]
Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] Cn1nc(cc1NC(=O)CSc1nnc(n1C1CC1)[*:1])-c1ccc(Cl)cc1
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccccc1Cl c1ccc(cc1)[*:1] O=C(CNC(=O)C(c1ccccc1)[*:1])N/N=C/c1ccccc1Cl
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccccc1Cl Clc1ccccc1[*:1] O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NN=C[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([C@H](O)c2cnccn2)C1 CS(=O)(=O)[*:1] O[C@H](c1cnccn1)[C@@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([C@H](O)c2cnccn2)C1 c1cnc(cn1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[C@H](O)[*:1]
CCc1ccccc1NC(=O)CCCCNC(N)=O NC(=O)NC[*:1] CCc1ccccc1NC(=O)CCC[*:1]
CCc1ccccc1NC(=O)CCCCNC(N)=O NC(=O)NCC[*:1] CCc1ccccc1NC(=O)CC[*:1]
CCc1ccccc1NC(=O)CCCCNC(N)=O NC(=O)N[*:1] CCc1ccccc1NC(=O)CCCC[*:1]
O=C([O-])[C@H]1C=C[C@H](N2C(=O)[C@H]3C[C@H]3C2=O)C1 O=C([O-])[*:1] O=C1[C@H]2C[C@H]2C(=O)N1[C@H]1C=C[C@@H](C1)[*:1]
CCOCCN(C)C(=O)c1ccc2c(c1)CCN2C(C)=O CCOCC[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N(C)[*:1]
CCOCCN(C)C(=O)c1ccc2c(c1)CCN2C(C)=O CCO[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)c1ccc2c(c1)CCN2C(C)=O CCOC[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N(C)C[*:1]
Cc1ccc(C(=O)N[C@@H](N2CCOCC2)C(Cl)(Cl)Cl)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(Cl)(Cl)Cl)[*:1]
Cc1ccc(C(=O)N[C@@H](N2CCOCC2)C(Cl)(Cl)Cl)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)[*:1]
Cc1ccc(C(=O)N[C@@H](N2CCOCC2)C(Cl)(Cl)Cl)cc1 ClC(Cl)(Cl)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](N1CCOCC1)[*:1]
Cc1cc(C(=O)N(CCC#N)Cc2ccccn2)c(C)cc1Br N#CCC[*:1] Cc1cc(C(=O)N(Cc2ccccn2)[*:1])c(C)cc1Br
Cc1cc(C(=O)N(CCC#N)Cc2ccccn2)c(C)cc1Br N#CC[*:1] Cc1cc(C(=O)N(Cc2ccccn2)C[*:1])c(C)cc1Br
Cc1cc(C(=O)N(CCC#N)Cc2ccccn2)c(C)cc1Br c1ccc(C[*:1])nc1 Cc1cc(C(=O)N(CCC#N)[*:1])c(C)cc1Br
Cc1cc(C(=O)N(CCC#N)Cc2ccccn2)c(C)cc1Br c1ccc(nc1)[*:1] Cc1cc(C(=O)N(CCC#N)C[*:1])c(C)cc1Br
C[C@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)C1 C[C@@H]1CCCCN1C(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CCC[NH+]1CCC(Nc2nc3ccc(N)cc3o2)CC1 CCC[*:1] Nc1ccc2nc(NC3CC[NH+](CC3)[*:1])oc2c1
CC1=c2cc(Cl)ccc2=[NH+][C@@H]1C(=O)NC[C@H]1Cc2cc(-c3nc(C)cnc3C)ccc2O1 Cc1cnc(C)c(n1)[*:1] CC1=c2cc(Cl)ccc2=[NH+][C@@H]1C(=O)NC[C@H]1Cc2cc(ccc2O1)[*:1]
Cc1ccc([C@@H](C)[NH2+]CCOc2ncccc2Cl)s1 Cc1ccc(s1)[*:1] C[C@@H]([NH2+]CCOc1ncccc1Cl)[*:1]
CCC[C@](O)(c1ccccc1)c1cc(C)cc(F)c1 c1ccc(cc1)[*:1] CCC[C@](O)(c1cc(C)cc(F)c1)[*:1]
CCC[C@](O)(c1ccccc1)c1cc(C)cc(F)c1 CCC[*:1] Cc1cc(F)cc(c1)[C@](O)(c1ccccc1)[*:1]
CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)CC1 CCC(C)(C)[*:1] O=C1Cc2cc(ccc2N1)NC(=O)C(=O)NC1CCC(CC1)[*:1]
C/[NH+]=C(/NCc1nc(C)c(C)s1)N[C@H](C)c1ccc(F)cc1F Cc1nc(sc1C)[*:1] C/[NH+]=C(/NC[*:1])N[C@H](C)c1ccc(F)cc1F
Cc1ccoc1CN1CCC[C@H](c2nnc3n2CCC3)C1 Cc1ccoc1C[*:1] C1C[C@@H](CN(C1)[*:1])c1nnc2CCCn21
Cc1ccoc1CN1CCC[C@H](c2nnc3n2CCC3)C1 Cc1ccoc1[*:1] C1C[C@@H](CN(C1)C[*:1])c1nnc2CCCn21
Cc1ccc(N2C(=S)S[C@H]3C(=O)N=C(SCC(=O)Nc4ccccc4)N=C32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=S)S[C@H]2C(=O)N=C(N=C21)SCC(=O)N[*:1]
Cc1ccc(N2C(=S)S[C@H]3C(=O)N=C(SCC(=O)Nc4ccccc4)N=C32)cc1 Cc1ccc(cc1)[*:1] O=C(CSC1=NC(=O)[C@@H]2SC(=S)N(C2=N1)[*:1])Nc1ccccc1
Cc1ccc(N2C(=S)S[C@H]3C(=O)N=C(SCC(=O)Nc4ccccc4)N=C32)cc1 O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1)N1C(=S)S[C@H]2C(=O)N=C(N=C21)SC[*:1]
CSc1nccc(N2CCC([NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)CC2)n1 CSc1nccc(n1)[*:1] CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(CC1)[*:1]
CSc1nccc(N2CCC([NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)CC2)n1 CC(C)(C)[*:1] CSc1nccc(n1)N1CCC(CC1)[NH2+][C@H](Cn1cc[nH+]c1)[*:1]
Cc1cccc2c1C(=O)N(C)[C@H](c1nc(-c3ccccc3)cs1)N2 c1ccc(cc1)[*:1] Cc1cccc2N[C@@H](c3nc(cs3)[*:1])N(C)C(=O)c12
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C)cc1 COc1ccc(cc1)[*:1] CN(C)C(=O)c1cn(nc1[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1C(=O)N(C)C)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
CCCCNC(=O)CCn1nc(-c2ccccc2)ccc1=O CCCCNC(=O)[*:1] O=c1ccc(nn1CC[*:1])-c1ccccc1
CCCCNC(=O)CCn1nc(-c2ccccc2)ccc1=O CCCC[*:1] O=C(CCn1nc(ccc1=O)-c1ccccc1)N[*:1]
CCCCNC(=O)CCn1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] CCCCNC(=O)CCn1nc(ccc1=O)[*:1]
CCCCNC(=O)CCn1nc(-c2ccccc2)ccc1=O CCC[*:1] O=C(CCn1nc(ccc1=O)-c1ccccc1)NC[*:1]
O=C(CSc1nc(-c2cccs2)n[nH]1)c1ccc2c(c1)OCCCO2 c1csc(c1)[*:1] O=C(CSc1nc(n[nH]1)[*:1])c1ccc2OCCCOc2c1
Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nnn3C2CCCC2)c1C Cc1cccc(c1C)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc2c(c1)nnn2C1CCCC1
Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nnn3C2CCCC2)c1C C1CCC(C1)[*:1] Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nnn3[*:1])c1C
CC[NH+](c1ccc(NC(=O)Cn2nnc3ccccc32)cc1)C(C)C CC(C)[*:1] CC[NH+](c1ccc(cc1)NC(=O)Cn1nnc2ccccc21)[*:1]
COc1cccc(Cn2ccn(-c3ccccc3)c(=O)c2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)Cn1ccn(c(=O)c1=O)[*:1]
O=C(Cc1ccc(Cl)cc1)NCc1cccc(CN2CCCC2=O)c1 Clc1ccc(cc1)[*:1] O=C(C[*:1])NCc1cccc(c1)CN1CCCC1=O
O=C(Cc1ccc(Cl)cc1)NCc1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] O=C(Cc1ccc(Cl)cc1)NCc1cccc(c1)[*:1]
O=C(Cc1ccc(Cl)cc1)NCc1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(Cc1ccc(Cl)cc1)NCc1cccc(c1)C[*:1]
O=C(Cc1ccc(Cl)cc1)NCc1cccc(CN2CCCC2=O)c1 Clc1ccc(cc1)C[*:1] O=C1CCCN1Cc1cccc(c1)CNC(=O)[*:1]
COc1c(F)cc(NC(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc1F CC(C)[*:1] COc1c(F)cc(cc1F)NC(=O)NCc1cccc(c1)NC(=O)C[*:1]
COc1c(F)cc(NC(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc1F CC(C)C[*:1] COc1c(F)cc(cc1F)NC(=O)NCc1cccc(c1)NC(=O)[*:1]
COc1c(F)cc(NC(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc1F CC(C)CC(=O)N[*:1] COc1c(F)cc(cc1F)NC(=O)NCc1cccc(c1)[*:1]
Cc1ncc([C@@H](C)N[C@@H]2CCOC2)c(C)n1 C1C[C@H](CO1)[*:1] Cc1ncc(c(C)n1)[C@@H](C)N[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)NC(=O)[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C c1cc(cs1)[*:1] Cc1ccc(cc1NC(=O)NC[C@@H]([NH+](C)C)[*:1])NC(=O)C(C)C
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C CC(C)C(=O)N[*:1] Cc1ccc(cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[*:1]
Cc1cc(C)c(C(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1C c1coc(c1)C[*:1] Cc1cc(C)c(cc1C)C(=O)CSc1nnc(-c2cnccn2)n1[*:1]
Cc1cc(C)c(C(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1C c1coc(c1)[*:1] Cc1cc(C)c(cc1C)C(=O)CSc1nnc(-c2cnccn2)n1C[*:1]
Cc1cc(C)c(C(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1C c1cnc(cn1)[*:1] Cc1cc(C)c(cc1C)C(=O)CSc1nnc(n1Cc1ccco1)[*:1]
Cc1cc(C)c(C(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1C Cc1cc(C)c(cc1C)[*:1] O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)[*:1]
C[C@@H](O)C[C@H]1CCCN1C(=O)N1CCC[C@@H](C)C1 C[C@@H](O)[*:1] C[C@@H]1CCCN(C1)C(=O)N1CCC[C@@H]1C[*:1]
C[C@@H](O)C[C@H]1CCCN1C(=O)N1CCC[C@@H](C)C1 C[C@@H](O)C[*:1] C[C@@H]1CCCN(C1)C(=O)N1CCC[C@@H]1[*:1]
CC(C)(C)n1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 CC(C)(C)[*:1] c1cc(ccc1C[NH2+]Cc1cnn(c1)[*:1])C[NH+]1CCCCC1
CCOC(=O)c1c(NC(=S)NC)sc(C)c1C CNC(=S)N[*:1] CCOC(=O)c1c(sc(C)c1C)[*:1]
CCOC(=O)c1c(NC(=S)NC)sc(C)c1C CCOC(=O)[*:1] CNC(=S)Nc1sc(C)c(C)c1[*:1]
Cc1ncc(CC#N)c2c1OC(C)(C)OC2 N#CC[*:1] Cc1ncc(c2COC(C)(C)Oc12)[*:1]
O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(F)cc1Br Oc1cccc(c1)[*:1] O=C(Nc1cnc(nc1)[*:1])c1ccc(F)cc1Br
O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(F)cc1Br Fc1ccc(c(Br)c1)[*:1] O=C(Nc1cnc(nc1)-c1cccc(O)c1)[*:1]
COc1cccc2c1OC[C@H](C(=O)NCCCOC1CCCCC1)C2 C1CCC(CC1)OC[*:1] COc1cccc2C[C@H](COc21)C(=O)NCC[*:1]
COc1cccc2c1OC[C@H](C(=O)NCCCOC1CCCCC1)C2 C1CCC(CC1)O[*:1] COc1cccc2C[C@H](COc21)C(=O)NCCC[*:1]
COc1cccc2c1OC[C@H](C(=O)NCCCOC1CCCCC1)C2 C1CCC(CC1)[*:1] COc1cccc2C[C@H](COc21)C(=O)NCCCO[*:1]
Cc1cc(Br)ccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O c1csc(c1)[*:1] Cc1cc(Br)ccc1NC(=O)CN1C(=O)C(=O)N(C[*:1])C1=O
Cc1cc(Br)ccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O c1csc(c1)C[*:1] Cc1cc(Br)ccc1NC(=O)CN1C(=O)C(=O)N(C1=O)[*:1]
Cc1cc(Br)ccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O Cc1cc(Br)ccc1[*:1] O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)N[*:1]
Cc1cnc(CNC(=O)NNc2ccc(F)cc2Br)s1 Cc1cnc(s1)[*:1] O=C(NC[*:1])NNc1ccc(F)cc1Br
O=C([C@H]1C=C(c2ccc(F)cc2)N=N1)N1CCCCCC1 Fc1ccc(cc1)[*:1] O=C([C@H]1C=C(N=N1)[*:1])N1CCCCCC1
Cc1cc(C)cc([C@H](C)NC(=O)N[C@@H](C)[C@@H](C)CO)c1 C[C@@H](CO)[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)N[C@@H](C)[*:1]
CC[NH2+][C@@H](c1ccc(F)cc1Cl)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] CC[NH2+][C@@H](c1ccc(F)cc1Cl)[C@H](C)[*:1]
CCC[C@@H]1CN(C(=O)Cc2cccc(C)c2)CCO1 CCC[*:1] Cc1cccc(c1)CC(=O)N1CCO[C@@H](C1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 C1CC1[*:1] C[C@@H](c1ccncc1)N(C)C(=O)N[C@H](c1cc(F)ccc1F)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 Fc1ccc(F)c(c1)[*:1] C[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C1CC1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 c1cc(ccn1)[*:1] C[C@@H](N(C)C(=O)N[C@H](c1cc(F)ccc1F)C1CC1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 C[C@@H](c1ccncc1)[*:1] CN(C(=O)N[C@H](c1cc(F)ccc1F)C1CC1)[*:1]
CO[C@@H](C)[C@@H]([NH3+])CCc1ccccc1 CO[C@@H](C)[*:1] [NH3+][C@@H](CCc1ccccc1)[*:1]
CN1CCN(C(=O)N2CCC[C@H]2CC(=O)[O-])C(C)(C)C1=O O=C([O-])C[*:1] CN1CCN(C(=O)N2CCC[C@@H]2[*:1])C(C)(C)C1=O
CN1CCN(C(=O)N2CCC[C@H]2CC(=O)[O-])C(C)(C)C1=O O=C([O-])[*:1] CN1CCN(C(=O)N2CCC[C@H]2C[*:1])C(C)(C)C1=O
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C)o1 C[C@H]1Cc2cc(ccc2O1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(C)o1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C)o1 COCC[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2ccc3O[C@@H](C)Cc3c2)=C([O-])C(=O)N1C[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C)o1 COCCC[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2ccc3O[C@@H](C)Cc3c2)=C([O-])C(=O)N1[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3O[C@@H](C)Cc3c2)[C@H]1[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C)o1 COC[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2ccc3O[C@@H](C)Cc3c2)=C([O-])C(=O)N1CC[*:1]
CC(C)c1nc2cc(NC(=O)[C@H](C)OC[C@H]3CCCO3)ccc2o1 C1CO[C@H](C1)CO[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)[C@H](C)[*:1]
CC(C)c1nc2cc(NC(=O)[C@H](C)OC[C@H]3CCCO3)ccc2o1 C1CO[C@H](C1)C[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)[C@H](C)O[*:1]
CC(C)c1nc2cc(NC(=O)[C@H](C)OC[C@H]3CCCO3)ccc2o1 C1CO[C@H](C1)[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)[C@H](C)OC[*:1]
CC(C)c1nc2cc(NC(=O)[C@H](C)OC[C@H]3CCCO3)ccc2o1 CC(C)[*:1] C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2oc(nc2c1)[*:1]
C[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1ccncn1 c1ccc(cc1)O[*:1] C[C@H](NC(=O)c1cc(C[*:1])[nH]n1)c1ccncn1
C[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1ccncn1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cc(CO[*:1])[nH]n1)c1ccncn1
C[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1ccncn1 c1ccc(cc1)OC[*:1] C[C@H](NC(=O)c1cc([nH]n1)[*:1])c1ccncn1
C[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1ccncn1 c1cc(ncn1)[*:1] C[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)[*:1]
C[NH2+][C@@H]1[C@@H](OCCOC(C)C)CCC1(C)C CC(C)O[*:1] C[NH2+][C@@H]1[C@H](CCC1(C)C)OCC[*:1]
C[NH2+][C@@H]1[C@@H](OCCOC(C)C)CCC1(C)C CC(C)[*:1] C[NH2+][C@@H]1[C@H](CCC1(C)C)OCCO[*:1]
C[NH2+][C@@H]1[C@@H](OCCOC(C)C)CCC1(C)C CC(C)OC[*:1] C[NH2+][C@@H]1[C@H](CCC1(C)C)OC[*:1]
C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1[C@H]1COc2ccccc2O1 c1ccc2c(c[nH]c2c1)[*:1] C=CCn1c(nnc1[C@H]1COc2ccccc2O1)SCC(=O)[*:1]
C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1[C@H]1COc2ccccc2O1 C=CC[*:1] O=C(CSc1nnc([C@H]2COc3ccccc3O2)n1[*:1])c1c[nH]c2ccccc12
C#CC[C@H](C)OC(=O)[C@H]1COc2cc(OC)ccc2C1 C#CC[*:1] COc1ccc2C[C@H](COc2c1)C(=O)O[C@@H](C)[*:1]
O=C(NCc1ccsc1)c1cc(Br)ccc1Cl c1cc(cs1)[*:1] O=C(NC[*:1])c1cc(Br)ccc1Cl
COCCn1nc(C)c(NC(=O)NC[C@@H](O)c2ccc(F)cc2)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)NC[C@@H](O)c1ccc(F)cc1)[*:1]
COCCn1nc(C)c(NC(=O)NC[C@@H](O)c2ccc(F)cc2)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)NC[C@@H](O)c1ccc(F)cc1
COCCn1nc(C)c(NC(=O)NC[C@@H](O)c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] COCCn1nc(C)c(NC(=O)NC[C@@H](O)[*:1])c1C
O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc2nc3n(c(=O)c2c1)CCCC3 Clc1ccc(cc1Cl)[*:1] O=C(C[*:1])Nc1ccc2nc3CCCCn3c(=O)c2c1
O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc2nc3n(c(=O)c2c1)CCCC3 Clc1ccc(cc1Cl)C[*:1] O=C(Nc1ccc2nc3CCCCn3c(=O)c2c1)[*:1]
COC(=O)[C@@H]1CCc2ccccc2N1 COC(=O)[*:1] c1ccc2N[C@@H](CCc2c1)[*:1]
Clc1ccccc1CCn1cc[nH+]c1-c1cc2n(n1)CCC[NH2+]C2 Clc1ccccc1C[*:1] c1cn(C[*:1])c([nH+]1)-c1cc2C[NH2+]CCCn2n1
Clc1ccccc1CCn1cc[nH+]c1-c1cc2n(n1)CCC[NH2+]C2 Clc1ccccc1[*:1] c1cn(CC[*:1])c([nH+]1)-c1cc2C[NH2+]CCCn2n1
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2nc(C)sc2C)cc1 CNS(=O)(=O)[*:1] Cc1nc(C[NH2+][C@@H](C)c2ccc(cc2)[*:1])c(C)s1
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2nc(C)sc2C)cc1 Cc1nc(c(C)s1)[*:1] CNS(=O)(=O)c1ccc(cc1)[C@H](C)[NH2+]C[*:1]
O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CCc1nc(no1)-c1ccc(F)cc1)N[*:1]
O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])NCc1ccc(Cl)cc1
O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCc1nc(no1)-c1ccc(F)cc1)NC[*:1]
CCOC(=O)[C@H](Sc1cc(C)c(C#N)c2nc3ccccc3n12)C(C)=O CC(=O)[*:1] CCOC(=O)[C@H](Sc1cc(C)c(C#N)c2nc3ccccc3n12)[*:1]
CCOC(=O)[C@H](Sc1cc(C)c(C#N)c2nc3ccccc3n12)C(C)=O CCOC(=O)[*:1] CC(=O)[C@@H](Sc1cc(C)c(C#N)c2nc3ccccc3n12)[*:1]
COc1cc(CNCCc2cnn(C)c2)ccc1[N+](=O)[O-] Cn1cc(cn1)[*:1] COc1cc(ccc1[N+](=O)[O-])CNCC[*:1]
COc1cc(CNCCc2cnn(C)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])CNCCc1cnn(C)c1
COc1cc(CNCCc2cnn(C)c2)ccc1[N+](=O)[O-] Cn1cc(cn1)C[*:1] COc1cc(ccc1[N+](=O)[O-])CNC[*:1]
CC(C)CC[C@@H](C)NC(=O)Nc1ccccn1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)Nc1ccccn1
CC(C)CC[C@@H](C)NC(=O)Nc1ccccn1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)Nc1ccccn1
CC(C)CC[C@@H](C)NC(=O)Nc1ccccn1 CC(C)CC[*:1] C[C@@H](NC(=O)Nc1ccccn1)[*:1]
COc1cccc(/C=C/C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 COc1cccc(c1)[*:1] O=C(C=C[*:1])NNC(=O)c1cc(n[nH]1)-c1ccccc1
COc1cccc(/C=C/C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 c1ccc(cc1)[*:1] COc1cccc(/C=C/C(=O)NNC(=O)c2cc(n[nH]2)[*:1])c1
Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCCc3ccc(Cl)cc3)n2)n1 Clc1ccc(cc1)C[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CC(=O)NC[*:1])n1
Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCCc3ccc(Cl)cc3)n2)n1 Cc1cc(C)n(n1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])NCCc1ccc(Cl)cc1
Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCCc3ccc(Cl)cc3)n2)n1 Clc1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CC(=O)NCC[*:1])n1
Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCCc3ccc(Cl)cc3)n2)n1 Clc1ccc(cc1)CC[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CC(=O)N[*:1])n1
COc1cccc(C(=O)N2CC[C@@H](c3nn(CC[NH+](C)C)c4nccnc34)C2)c1 COc1cccc(c1)[*:1] C[NH+](C)CCn1nc(c2nccnc21)[C@@H]1CCN(C1)C(=O)[*:1]
O=C(Nc1ccn(-c2ncccc2Cl)n1)c1ccc(Cl)nc1 Clc1cccnc1[*:1] O=C(Nc1ccn(n1)[*:1])c1ccc(Cl)nc1
O=C(Nc1ccn(-c2ncccc2Cl)n1)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(Nc1ccn(n1)-c1ncccc1Cl)[*:1]
CNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccsc2)cc1 c1cc(cs1)[*:1] CNS(=O)(=O)c1ccc(cc1)C(=O)C=C[*:1]
CNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccsc2)cc1 CNS(=O)(=O)[*:1] O=C(/C=C/c1ccsc1)c1ccc(cc1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc([S@](C)=O)c(F)c1 C[C@H]1OCC[C@H]1[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc([S@](C)=O)c(F)c1 C[S@](=O)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(c(F)c1)[*:1]
O=C(NC[C@@H](O)c1c(F)cccc1F)c1cccc(C(F)(F)F)c1 Fc1cccc(F)c1[*:1] O=C(NC[C@@H](O)[*:1])c1cccc(c1)C(F)(F)F
O=C(NC[C@@H](O)c1c(F)cccc1F)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NC[C@@H](O)c1c(F)cccc1F)c1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)Nc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] CCCC(=O)Nc1cccc(c1)CNC(=O)N[*:1]
CCCC(=O)Nc1cccc(CNC(=O)Nc2cccc(C)c2)c1 CCCC(=O)N[*:1] Cc1cccc(c1)NC(=O)NCc1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)Nc2cccc(C)c2)c1 CCC[*:1] Cc1cccc(c1)NC(=O)NCc1cccc(c1)NC(=O)[*:1]
N#Cc1cccc(CNC(=O)NCc2cccc(C(N)=O)c2)c1 NC(=O)[*:1] N#Cc1cccc(c1)CNC(=O)NCc1cccc(c1)[*:1]
CCN(CC(C)(C)CS)c1ccccc1 CC(C)(CS)[*:1] CCN(C[*:1])c1ccccc1
Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(F)ccc3NC(=O)[C@@H]3C[C@H]3C)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC1CCN(CC1)C(=O)[*:1]
CS(=O)(=O)Cc1ccccc1NCC(=O)N1CCc2sccc2C1 CS(=O)(=O)C[*:1] O=C(CNc1ccccc1[*:1])N1CCc2sccc2C1
CS(=O)(=O)Cc1ccccc1NCC(=O)N1CCc2sccc2C1 CS(=O)(=O)[*:1] O=C(CNc1ccccc1C[*:1])N1CCc2sccc2C1
Cc1c([C@@H](C)[NH2+][C@H](CO)CC(C)(C)C)cccc1[N+](=O)[O-] CC(C)(C)C[*:1] Cc1c(cccc1[N+](=O)[O-])[C@@H](C)[NH2+][C@H](CO)[*:1]
Cc1c([C@@H](C)[NH2+][C@H](CO)CC(C)(C)C)cccc1[N+](=O)[O-] CC(C)(C)[*:1] Cc1c(cccc1[N+](=O)[O-])[C@@H](C)[NH2+][C@H](CO)C[*:1]
Cc1c([C@@H](C)[NH2+][C@H](CO)CC(C)(C)C)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])[C@@H](C)[NH2+][C@H](CO)CC(C)(C)C
O=C(/C=C/c1nc2ccccc2s1)OCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(/C=C/c1nc2ccccc2s1)OC[*:1]
COc1ccc2c(c1)OCC(C(=O)NC[C@H](OC)c1ccccc1)=C2 c1ccc(cc1)[*:1] COc1ccc2C=C(COc2c1)C(=O)NC[C@H](OC)[*:1]
CC(=O)Nc1cc(NC(=O)c2cnccn2)c(F)cc1F CC(=O)N[*:1] O=C(Nc1cc(c(F)cc1F)[*:1])c1cnccn1
CC(=O)Nc1cc(NC(=O)c2cnccn2)c(F)cc1F c1cnc(cn1)[*:1] CC(=O)Nc1cc(NC(=O)[*:1])c(F)cc1F
COc1ccc(C(=O)NCCc2ccsc2)c(OC)c1OC c1cc(cs1)CC[*:1] COc1ccc(C(=O)N[*:1])c(OC)c1OC
COc1ccc(C(=O)NCCc2ccsc2)c(OC)c1OC c1cc(cs1)C[*:1] COc1ccc(C(=O)NC[*:1])c(OC)c1OC
COc1ccc(C(=O)NCCc2ccsc2)c(OC)c1OC c1cc(cs1)[*:1] COc1ccc(C(=O)NCC[*:1])c(OC)c1OC
Cc1ccc(C(=O)N(C)C)cc1NC(=O)CCC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)CCC(=O)[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)CCC(=O)c1ccccc1 O=C(c1ccccc1)[*:1] Cc1ccc(cc1NC(=O)CC[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)CCC(=O)c1ccccc1 CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)CCC(=O)c1ccccc1)[*:1]
C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC(=O)N(C)[C@H]1[*:1]
CN(C)C(=O)COc1cccc(NC(=O)Cc2ccc(F)cc2)c1 CN(C)C(=O)CO[*:1] O=C(Cc1ccc(F)cc1)Nc1cccc(c1)[*:1]
CN(C)C(=O)COc1cccc(NC(=O)Cc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CN(C)C(=O)COc1cccc(c1)NC(=O)C[*:1]
CN(C)C(=O)COc1cccc(NC(=O)Cc2ccc(F)cc2)c1 CN(C)C(=O)C[*:1] O=C(Cc1ccc(F)cc1)Nc1cccc(c1)O[*:1]
CN(C)C(=O)COc1cccc(NC(=O)Cc2ccc(F)cc2)c1 CN(C)C(=O)[*:1] O=C(Cc1ccc(F)cc1)Nc1cccc(c1)OC[*:1]
CN(C)C(=O)COc1cccc(NC(=O)Cc2ccc(F)cc2)c1 Fc1ccc(cc1)C[*:1] CN(C)C(=O)COc1cccc(c1)NC(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)CSCC(F)(F)F)CC2)o1 FC(F)(F)[*:1] Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)CSC[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)CSCC(F)(F)F)CC2)o1 FC(F)(F)CS[*:1] Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)CSCC(F)(F)F)CC2)o1 FC(F)(F)CSC[*:1] Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)CSCC(F)(F)F)CC2)o1 Cc1ccc(o1)[*:1] O=C(CSCC(F)(F)F)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)CSCC(F)(F)F)CC2)o1 FC(F)(F)C[*:1] Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)CS[*:1]
CC[NH2+]Cc1ccc(OCCO)c(OC)c1 OCCO[*:1] CC[NH2+]Cc1ccc(c(c1)OC)[*:1]
CC[NH2+]Cc1ccc(OCCO)c(OC)c1 OCC[*:1] CC[NH2+]Cc1ccc(O[*:1])c(c1)OC
COCCN(C(=O)N[C@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 COC[*:1] O=C(N[C@H]1CCc2ccccc21)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COCCN(C(=O)N[C@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] COCCN(C(=O)N[C@H]1CCc2ccccc21)[*:1]
COCCN(C(=O)N[C@H]1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 COCC[*:1] O=C(N[C@H]1CCc2ccccc21)N([C@H]1CCS(=O)(=O)C1)[*:1]
C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Oc1ccccc1 O=[N+]([O-])[*:1] C[C@H](CNC(=O)c1cc(Cl)ccc1[*:1])Oc1ccccc1
C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])O[*:1]
C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[*:1]
Cc1cc(F)cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(F)cc(C(=O)Nc2cccc(c2)CC[NH+]2CCCC2)c1[*:1]
Cc1ccc(-c2cc(C(=O)NCCc3ccc4c(c3)OCO4)n[nH]2)s1 Cc1ccc(s1)[*:1] O=C(NCCc1ccc2OCOc2c1)c1cc([nH]n1)[*:1]
CCOC1CC[NH+](Cn2ncn(-c3ccccc3OC)c2=S)CC1 COc1ccccc1[*:1] CCOC1CC[NH+](CC1)Cn1ncn(c1=S)[*:1]
CCOC1CC[NH+](Cn2ncn(-c3ccccc3OC)c2=S)CC1 CCO[*:1] COc1ccccc1-n1cnn(C[NH+]2CCC(CC2)[*:1])c1=S
CCN(CC)c1ccccc1-c1ccccc1 CCN(CC)[*:1] c1ccc(cc1)-c1ccccc1[*:1]
Cc1ccccc1CN1CC[NH+](C2CCC2)CCC1=O C1CC(C1)[*:1] Cc1ccccc1CN1CC[NH+](CCC1=O)[*:1]
C[C@H]1CCCN(c2nc3ncn(CC(=O)N(C)c4ccccc4)c(=O)c3s2)C1 c1ccc(cc1)[*:1] C[C@H]1CCCN(C1)c1nc2ncn(CC(=O)N(C)[*:1])c(=O)c2s1
C[C@H]1CCCN(c2nc3ncn(CC(=O)N(C)c4ccccc4)c(=O)c3s2)C1 C[C@H]1CCCN(C1)[*:1] CN(C(=O)Cn1cnc2nc(sc2c1=O)[*:1])c1ccccc1
COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 CC(C)O[*:1] COc1ccc(cc1)[C@H]1CC(=O)NC2C[C@H](CC(=O)C=21)c1ccc(cc1)[*:1]
COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H]1CC(=O)NC2C[C@H](CC(=O)C=21)c1ccc(cc1)O[*:1]
COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 COc1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)cc1 CC(C)Oc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)[*:1]
Cc1cc(C(=O)N2CC(C(=O)N3[C@H](C)CCC[C@H]3C)C2)no1 Cc1cc(no1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)C1CN(C1)C(=O)[*:1]
CNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)CC(C)(C)C)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)N[C@@H](CO)CC(C)(C)C)[*:1]
CNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)CC(C)(C)C)c(C)o1 CC(C)(C)C[*:1] CNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)[*:1])c(C)o1
CNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)CC(C)(C)C)c(C)o1 CC(C)(C)[*:1] CNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)C[*:1])c(C)o1
CS[C@H]1CCC[C@@H]1N(C)C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] CS[C@H]1CCC[C@@H]1N(C)C(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CN(c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1)S(=O)(=O)c1cccs1 Brc1cccc(c1)[*:1] CN(c1ccc(cc1)OCC(=O)N[*:1])S(=O)(=O)c1cccs1
CN(c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CN(c1ccc(cc1)OCC(=O)Nc1cccc(Br)c1)S(=O)(=O)[*:1]
Cc1ccccc1NC(=O)[C@@H]1[C@H](C)Nc2ncnn2[C@@H]1c1ccc(O)cc1 Cc1ccccc1[*:1] C[C@@H]1Nc2ncnn2[C@H](c2ccc(O)cc2)[C@@H]1C(=O)N[*:1]
Cc1ccccc1NC(=O)[C@@H]1[C@H](C)Nc2ncnn2[C@@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)[C@@H]1[C@H](C)Nc2ncnn2[C@H]1[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H](C)c1noc(C[*:1])n1
CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H](C)c1noc(n1)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 CCC[*:1] C[C@H](NC(=O)N[C@H]1C[C@H]1[*:1])c1noc(Cc2ccccc2)n1
O=S(=O)([N-]c1c(F)cc(Cl)cc1F)c1cccs1 c1csc(c1)[*:1] O=S(=O)([N-]c1c(F)cc(Cl)cc1F)[*:1]
O=C(NCCc1cccs1)N1CCN(C[C@@H]2CCCO2)CC1 c1csc(c1)C[*:1] O=C(NC[*:1])N1CCN(CC1)C[C@@H]1CCCO1
O=C(NCCc1cccs1)N1CCN(C[C@@H]2CCCO2)CC1 c1csc(c1)CC[*:1] O=C(N[*:1])N1CCN(CC1)C[C@@H]1CCCO1
O=C(NCCc1cccs1)N1CCN(C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] O=C(NCCc1cccs1)N1CCN(CC1)C[*:1]
O=C(NCCc1cccs1)N1CCN(C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] O=C(NCCc1cccs1)N1CCN(CC1)[*:1]
O=C(NCCc1cccs1)N1CCN(C[C@@H]2CCCO2)CC1 c1csc(c1)[*:1] O=C(NCC[*:1])N1CCN(CC1)C[C@@H]1CCCO1
CC(C)Cn1c[nH+]cc1CN1C(=O)COc2ccccc21 CC(C)[*:1] O=C1COc2ccccc2N1Cc1c[nH+]cn1C[*:1]
CC(C)Cn1c[nH+]cc1CN1C(=O)COc2ccccc21 CC(C)C[*:1] O=C1COc2ccccc2N1Cc1c[nH+]cn1[*:1]
COc1cc(/C=N/O)ccc1OCc1ccc(F)cc1 ON=C[*:1] COc1cc(ccc1OCc1ccc(F)cc1)[*:1]
C[NH2+][C@@H](C1CC1)C(C)(C)[NH+]1CCCC1 C1CC1[*:1] C[NH2+][C@@H](C(C)(C)[NH+]1CCCC1)[*:1]
O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 Clc1ccccc1[*:1] O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cn(C[*:1])c2ccccc12
O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 Clc1ccccc1C[*:1] O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cn(c2ccccc12)[*:1]
COC(=O)C[C@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC Fc1ccc(c(F)c1F)[*:1] COC(=O)C[C@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1[*:1])C(=O)OC
COC(=O)C[C@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC COC(=O)[*:1] COC(=O)[C@H](C[*:1])NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1c1ccc(F)c(F)c1F
COC(=O)C[C@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC COC(=O)[*:1] COC(=O)C[C@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1c1ccc(F)c(F)c1F)[*:1]
COC(=O)C[C@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC COC(=O)C[*:1] COC(=O)[C@@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1c1ccc(F)c(F)c1F)[*:1]
COC(=O)C[C@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC COC(=O)C[C@H](C(=O)OC)[*:1] O=C(N[*:1])N1CCc2[nH]c[nH+]c2[C@H]1c1ccc(F)c(F)c1F
CC[C@H]([NH3+])Cc1cc(C)nc(CCC(F)(F)F)n1 FC(F)(F)C[*:1] CC[C@H]([NH3+])Cc1cc(C)nc(C[*:1])n1
CC[C@H]([NH3+])Cc1cc(C)nc(CCC(F)(F)F)n1 FC(F)(F)[*:1] CC[C@H]([NH3+])Cc1cc(C)nc(CC[*:1])n1
CC[C@H]([NH3+])Cc1cc(C)nc(CCC(F)(F)F)n1 FC(F)(F)CC[*:1] CC[C@H]([NH3+])Cc1cc(C)nc(n1)[*:1]
Cc1cccc(C2=CCN(C(=O)c3noc4c3CCCC4)CC2)c1 Cc1cccc(c1)[*:1] O=C(c1noc2CCCCc12)N1CC=C(CC1)[*:1]
O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc2ccccc2[nH]1 O=C1NCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2ccccc2[nH]1
O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCCC1=CCCCC1)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(F)c(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)NC[C@@H]1CCO[C@@H]1[*:1]
CC1(C)C[C@H]2C[C@](C)(CN2c2cncc(/C(N)=[NH+]/N=C/c3ccc(Br)cc3)n2)C1 Brc1ccc(cc1)[*:1] CC1(C)C[C@H]2C[C@](C)(CN2c2cncc(n2)/C(N)=[NH+]/N=C[*:1])C1
COc1ccc(-c2noc(-c3ccc(Nc4ccccc4)[nH+]n3)n2)cc1 COc1ccc(cc1)[*:1] c1ccc(cc1)Nc1ccc(n[nH+]1)-c1nc(no1)[*:1]
COc1ccc(-c2noc(-c3ccc(Nc4ccccc4)[nH+]n3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc(n1)-c1ccc(N[*:1])[nH+]n1
COc1ccc(-c2noc(-c3ccc(Nc4ccccc4)[nH+]n3)n2)cc1 c1ccc(cc1)N[*:1] COc1ccc(cc1)-c1noc(n1)-c1ccc([nH+]n1)[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccccc1Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccccc1[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccccc1Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccccc1O[*:1]
CNC(=O)c1ccc(CN(C)C(=O)CCC(=O)OC)cc1 COC(=O)C[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)C[*:1]
CNC(=O)c1ccc(CN(C)C(=O)CCC(=O)OC)cc1 CNC(=O)[*:1] COC(=O)CCC(=O)N(C)Cc1ccc(cc1)[*:1]
CNC(=O)c1ccc(CN(C)C(=O)CCC(=O)OC)cc1 COC(=O)[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)CC[*:1]
CNC(=O)c1ccc(CN(C)C(=O)CCC(=O)OC)cc1 COC(=O)CC[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)[*:1]
CC[C@H]1CN(C(=O)c2cccc(-c3nnc(C)o3)c2)C[C@H](C)O1 Cc1nnc(o1)[*:1] CC[C@H]1CN(C[C@H](C)O1)C(=O)c1cccc(c1)[*:1]
Cc1ccc(CSc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc2nc([nH]c2c1)SC[*:1]
Cc1ccc(CSc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CSc1nc2ccc(cc2[nH]1)[*:1]
CC[C@@H](C)N(CC)S(=O)(=O)c1cc(C)c(C)c(N)c1 CC[C@@H](C)[*:1] CCN(S(=O)(=O)c1cc(C)c(C)c(N)c1)[*:1]
N#CN(CCN1CCCS1(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] N#CN(CCN1CCCS1(=O)=O)[*:1]
CSc1nnc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)s1 FC(F)(F)[*:1] CSc1nnc(SCC(=O)Nc2c(Cl)cccc2[*:1])s1
CSc1nnc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)s1 CSc1nnc(s1)[*:1] O=C(CS[*:1])Nc1c(Cl)cccc1C(F)(F)F
O=C(Cc1c(F)cccc1F)NC[C@@H](O)C1CCCC1 C1CCC(C1)[*:1] O=C(Cc1c(F)cccc1F)NC[C@@H](O)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)sc2Cl)c1 Clc1cc(c(Cl)s1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)sc2Cl)c1 CNC(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1cc(Cl)sc1Cl
CCCCn1c(SCc2n[nH]c(=O)[nH]2)n[nH]c1=O O=c1[nH]nc([nH]1)[*:1] CCCCn1c(n[nH]c1=O)SC[*:1]
CCCCn1c(SCc2n[nH]c(=O)[nH]2)n[nH]c1=O CCCC[*:1] O=c1[nH]nc(CSc2n[nH]c(=O)n2[*:1])[nH]1
CCCCn1c(SCc2n[nH]c(=O)[nH]2)n[nH]c1=O CCC[*:1] O=c1[nH]nc(CSc2n[nH]c(=O)n2C[*:1])[nH]1
Cc1cccc([C@H]2CCCN(Cc3ccncc3)C2)n1 c1cc(ccn1)[*:1] Cc1cccc(n1)[C@H]1CCCN(C1)C[*:1]
O=C(NCc1ccc([C@@H](O)c2cccs2)s1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(NCc1ccc(s1)[C@@H](O)c1cccs1)C1(CCOCC1)[*:1]
O=C(NCc1ccc([C@@H](O)c2cccs2)s1)C1(c2ccccc2)CCOCC1 c1csc(c1)[*:1] O=C(NCc1ccc(s1)[C@@H](O)[*:1])C1(CCOCC1)c1ccccc1
CC(C)CC1(CNC(=O)NCc2ncn(C)n2)CC1 CC(C)[*:1] Cn1cnc(CNC(=O)NCC2(CC2)C[*:1])n1
CC(C)CC1(CNC(=O)NCc2ncn(C)n2)CC1 CC(C)C[*:1] Cn1cnc(CNC(=O)NCC2(CC2)[*:1])n1
CC(C)CC1(CNC(=O)NCc2ncn(C)n2)CC1 Cn1cnc(n1)[*:1] CC(C)CC1(CC1)CNC(=O)NC[*:1]
O=C(/C=C1\Nc2ccccc2C(=O)N1c1ccc(Cl)cc1)c1ccncc1 O=C(c1ccncc1)[*:1] O=C1c2ccccc2NC(=C[*:1])N1c1ccc(Cl)cc1
O=C(/C=C1\Nc2ccccc2C(=O)N1c1ccc(Cl)cc1)c1ccncc1 Clc1ccc(cc1)[*:1] O=C(/C=C1\Nc2ccccc2C(=O)N1[*:1])c1ccncc1
O=C(/C=C1\Nc2ccccc2C(=O)N1c1ccc(Cl)cc1)c1ccncc1 c1cc(ccn1)[*:1] O=C1c2ccccc2N/C(=C\C(=O)[*:1])N1c1ccc(Cl)cc1
CCCCNC(=O)C[NH2+][C@@H](C)C(N)=O CCC[*:1] C[C@H]([NH2+]CC(=O)NC[*:1])C(N)=O
CCCCNC(=O)C[NH2+][C@@H](C)C(N)=O NC(=O)[*:1] CCCCNC(=O)C[NH2+][C@@H](C)[*:1]
CCCCNC(=O)C[NH2+][C@@H](C)C(N)=O CCCC[*:1] C[C@H]([NH2+]CC(=O)N[*:1])C(N)=O
CCN(CC#N)C(=O)N1CCCC1 N#CC[*:1] CCN(C(=O)N1CCCC1)[*:1]
O=C(Cn1cccn1)NCc1ccc(C[NH+]2CCCCCC2)cc1 c1cnn(c1)C[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCCC1)[*:1]
O=C(Cn1cccn1)NCc1ccc(C[NH+]2CCCCCC2)cc1 c1cnn(c1)[*:1] O=C(C[*:1])NCc1ccc(cc1)C[NH+]1CCCCCC1
COc1cccc([C@@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)[NH+]2CCCC2)c1 Fc1ccc(cc1Cl)[*:1] COc1cccc(c1)[C@@H](CNS(=O)(=O)[*:1])[NH+]1CCCC1
COc1cccc([C@@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] O=S(=O)(NC[C@@H]([NH+]1CCCC1)[*:1])c1ccc(F)c(Cl)c1
Cc1cscc1[C@H](Cl)c1ccc2c(c1)C(=O)NCC2 Cc1cscc1[*:1] O=C1NCCc2ccc(cc21)[C@@H](Cl)[*:1]
COc1ccc(C(=O)N(C)C)cc1NCc1ncc(-c2cccc(F)c2)o1 CN(C)C(=O)[*:1] COc1ccc(cc1NCc1ncc(o1)-c1cccc(F)c1)[*:1]
COc1ccc(C(=O)N(C)C)cc1NCc1ncc(-c2cccc(F)c2)o1 Fc1cccc(c1)[*:1] COc1ccc(cc1NCc1ncc(o1)[*:1])C(=O)N(C)C
CCc1ccccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 O=[N+]([O-])c1cnn(c1)[*:1] CCc1ccccc1NC(=O)c1ccc(cc1)C[*:1]
CCc1ccccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 O=[N+]([O-])[*:1] CCc1ccccc1NC(=O)c1ccc(cc1)Cn1cc(cn1)[*:1]
CCc1ccccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 CCc1ccccc1[*:1] O=C(N[*:1])c1ccc(cc1)Cn1cc(cn1)[N+](=O)[O-]
CC(C)[C@H](OC(=O)[C@H](C)C1CCOCC1)c1ccc(F)c(F)c1 C1CC(CCO1)[*:1] CC(C)[C@H](OC(=O)[C@H](C)[*:1])c1ccc(F)c(F)c1
CC(C)[C@H](OC(=O)[C@H](C)C1CCOCC1)c1ccc(F)c(F)c1 CC(C)[*:1] C[C@@H](C(=O)O[C@H](c1ccc(F)c(F)c1)[*:1])C1CCOCC1
CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 CCN(CC)C(=O)[*:1] CC(C)CN1C(=O)c2ccccc2[C@@H]([C@@H]1c1cccs1)[*:1]
CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 CC(C)C[*:1] CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N([C@H]1c1cccs1)[*:1]
CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 c1csc(c1)[*:1] CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1[*:1]
CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 CC(C)[*:1] CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(C[*:1])[C@H]1c1cccs1
CC(=O)Nc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CCc1cnn(c1)[*:1]
CC(=O)Nc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1 CC(=O)N[*:1] O=C(CCc1cnn(c1)-c1ccccc1)Nc1ccc(cc1)[*:1]
O=C(NCc1ccncc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] c1cc(ccn1)[*:1] O=C(NC[*:1])[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]
O=C(NCc1ccncc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(NCc1ccncc1)[C@@H]1[C@H]2C=C[C@H](O2)[C@H]1[*:1]
Cc1cccc(-c2c(C(=O)[O-])nnn2Cc2cc(F)cc(F)c2)c1 Cc1cccc(c1)[*:1] O=C([O-])c1nnn(Cc2cc(F)cc(F)c2)c1[*:1]
Cc1cccc(-c2c(C(=O)[O-])nnn2Cc2cc(F)cc(F)c2)c1 O=C([O-])[*:1] Cc1cccc(c1)-c1c(nnn1Cc1cc(F)cc(F)c1)[*:1]
Cc1cccc(-c2c(C(=O)[O-])nnn2Cc2cc(F)cc(F)c2)c1 Fc1cc(F)cc(c1)[*:1] Cc1cccc(c1)-c1c(nnn1C[*:1])C(=O)[O-]
COc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1OC(C)C c1ccc(cc1)[*:1] COc1cc(ccc1OC(C)C)C(=O)N1CCC[C@H]1[*:1]
COc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C(=O)N1CCC[C@@H]1c1ccccc1
COc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C(=O)N1CCC[C@@H]1c1ccccc1
CC(=O)N1CCC(CCC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)CC1 CC(C)(C)[*:1] CC(=O)N1CCC(CCC(=O)N[C@H](C)c2nc(cs2)[*:1])CC1
O=C(CCCNC(=O)c1ccccc1)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCCNC(=O)c1ccccc1)NNC(=O)[*:1]
O=C(CCCNC(=O)c1ccccc1)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCCNC(=O)[*:1])NNC(=O)c1ccccc1
COCCN1C[C@H]2CC[C@@H]1CN(Cc1[nH+]ccn1-c1ccc(OC)cc1)C2 COc1ccc(cc1)[*:1] COCCN1C[C@H]2CC[C@@H]1CN(Cc1[nH+]ccn1[*:1])C2
COCCN1C[C@H]2CC[C@@H]1CN(Cc1[nH+]ccn1-c1ccc(OC)cc1)C2 COCC[*:1] COc1ccc(cc1)-n1cc[nH+]c1CN1C[C@@H]2CC[C@H](C1)N(C2)[*:1]
COCCN1C[C@H]2CC[C@@H]1CN(Cc1[nH+]ccn1-c1ccc(OC)cc1)C2 COC[*:1] COc1ccc(cc1)-n1cc[nH+]c1CN1C[C@@H]2CC[C@H](C1)N(C2)C[*:1]
C[C@@H]1CCCCN1C(=O)NCCNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H]1CCCCN1C(=O)NCCNC(=O)[*:1]
COc1ccc(C)c2c1N(C(=O)CCOc1ccc([N+](=O)[O-])cc1)CCC2 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(C)c2CCCN(C(=O)CCO[*:1])c12
COc1ccc(C)c2c1N(C(=O)CCOc1ccc([N+](=O)[O-])cc1)CCC2 O=[N+]([O-])[*:1] COc1ccc(C)c2CCCN(C(=O)CCOc3ccc(cc3)[*:1])c12
CCc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)cc1 CCc1ccc(cc1)[*:1] COc1cc2CCN3C(=O)c4ccccc4[C@@H](C(=O)NC[*:1])[C@H]3c2cc1OC
CCc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)cc1 CCc1ccc(cc1)C[*:1] COc1cc2CCN3C(=O)c4ccccc4[C@@H](C(=O)N[*:1])[C@H]3c2cc1OC
COc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N/N=C\c3ccc(C)cc3)S2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N=C(NN=C[*:1])S1
COc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N/N=C\c3ccc(C)cc3)S2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(/C=N\NC2=NC(=O)C[C@H](S2)C(=O)N[*:1])cc1
C[C@H](NC(=O)Nc1cccc(-c2nccs2)c1)c1ccc(Cl)cc1 c1csc(n1)[*:1] C[C@H](NC(=O)Nc1cccc(c1)[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)Nc1cccc(-c2nccs2)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1cccc(c1)-c1nccs1)[*:1]
C[C@H]1CCN(C(=O)Nc2ccccc2OC2CCCC2)C[C@H]1O C1CCC(C1)O[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)Nc1ccccc1[*:1]
C[C@H]1CCN(C(=O)Nc2ccccc2OC2CCCC2)C[C@H]1O C1CCC(C1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)Nc1ccccc1O[*:1]
Cc1oc(-c2cccs2)nc1CN1C(=O)[C@H]2C[C@H]2C1=O c1csc(c1)[*:1] Cc1oc(nc1CN1C(=O)[C@H]2C[C@H]2C1=O)[*:1]
Cc1cc(S(=O)(=O)/N=C(\[O-])CCC(F)(F)F)cc([N+](=O)[O-])c1C FC(F)(F)[*:1] Cc1cc(cc(c1C)[N+](=O)[O-])S(=O)(=O)/N=C(\[O-])CC[*:1]
Cc1cc(S(=O)(=O)/N=C(\[O-])CCC(F)(F)F)cc([N+](=O)[O-])c1C FC(F)(F)CC[*:1] Cc1cc(cc(c1C)[N+](=O)[O-])S(=O)(=O)/N=C(\[O-])[*:1]
Cc1cc(S(=O)(=O)/N=C(\[O-])CCC(F)(F)F)cc([N+](=O)[O-])c1C FC(F)(F)C[*:1] Cc1cc(cc(c1C)[N+](=O)[O-])S(=O)(=O)/N=C(\[O-])C[*:1]
Cc1cc(S(=O)(=O)/N=C(\[O-])CCC(F)(F)F)cc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cc(cc(c1C)[*:1])S(=O)(=O)/N=C(\[O-])CCC(F)(F)F
CNC(=O)Cc1nc(CN2CCN(c3ccccc3OC)CC2)cs1 CNC(=O)C[*:1] COc1ccccc1N1CCN(CC1)Cc1csc(n1)[*:1]
CNC(=O)Cc1nc(CN2CCN(c3ccccc3OC)CC2)cs1 COc1ccccc1[*:1] CNC(=O)Cc1nc(cs1)CN1CCN(CC1)[*:1]
CNC(=O)Cc1nc(CN2CCN(c3ccccc3OC)CC2)cs1 CNC(=O)[*:1] COc1ccccc1N1CCN(CC1)Cc1csc(C[*:1])n1
CN(C)C(=O)c1cc(NC(=O)C(=O)NCC2CCC2)ccc1Cl C1CC(C1)C[*:1] CN(C)C(=O)c1cc(ccc1Cl)NC(=O)C(=O)N[*:1]
CN(C)C(=O)c1cc(NC(=O)C(=O)NCC2CCC2)ccc1Cl C1CC(C1)[*:1] CN(C)C(=O)c1cc(ccc1Cl)NC(=O)C(=O)NC[*:1]
CN(C)C(=O)c1cc(NC(=O)C(=O)NCC2CCC2)ccc1Cl CN(C)C(=O)[*:1] O=C(NCC1CCC1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1cc(-c2nnc(CSc3nnc4ccccn34)o2)cc(OC)c1OC c1ccn2c(nnc2c1)[*:1] COc1cc(cc(OC)c1OC)-c1nnc(CS[*:1])o1
CCCC1(CCC)C[NH+]([C@H]2C=C[C@@H](C(=O)[O-])C2)C1 CCC[*:1] CCCC1(C[NH+](C1)[C@H]1C=C[C@H](C1)C(=O)[O-])[*:1]
CCCC1(CCC)C[NH+]([C@H]2C=C[C@@H](C(=O)[O-])C2)C1 O=C([O-])[*:1] CCCC1(CCC)C[NH+](C1)[C@H]1C=C[C@@H](C1)[*:1]
COc1cc(Cl)cc(N(O)C(C)=O)c1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(Cl)cc(c1O[*:1])N(O)C(C)=O
COc1cc(Cl)cc(N(O)C(C)=O)c1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(Cl)cc(c1OC[*:1])N(O)C(C)=O
COc1cc(Cl)cc(N(O)C(C)=O)c1OCc1ccccc1 CC(=O)N(O)[*:1] COc1cc(Cl)cc(c1OCc1ccccc1)[*:1]
CC[C@@]1(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CC[C@]1(CCCN1C(=O)O[*:1])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1
COc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] COc1ccccc1O[C@@H](C)C(=O)NNC(=O)[*:1]
COc1ccccc1O[C@@H](C)C(=O)NNC(=O)c1cccc(C)c1 COc1ccccc1[*:1] Cc1cccc(c1)C(=O)NNC(=O)[C@H](C)O[*:1]
Cc1ccc(/C=C/Cc2nc(CNC(=O)c3ccccc3)no2)cc1 c1ccc(cc1)[*:1] Cc1ccc(/C=C/Cc2nc(CNC(=O)[*:1])no2)cc1
Cc1ccc(/C=C/Cc2nc(CNC(=O)c3ccccc3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1noc(CC=C[*:1])n1)c1ccccc1
Fc1ccc(CNc2c3c([nH+]c4ccccc24)CCCC3)cc1 Fc1ccc(cc1)[*:1] c1ccc2c(NC[*:1])c3CCCCc3[nH+]c2c1
COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccc(Br)cc1 Brc1ccc(cc1)C[*:1] COc1cc(/C=C2\SC(=N)NC2=O)ccc1O[*:1]
COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1cc(/C=C2\SC(=N)NC2=O)ccc1OC[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC(C(=O)NCCc3cccs3)CC2)C1 c1csc(c1)C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N1CCC(CC1)C(=O)NC[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC(C(=O)NCCc3cccs3)CC2)C1 c1csc(c1)CC[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N1CCC(CC1)C(=O)N[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC(C(=O)NCCc3cccs3)CC2)C1 c1csc(c1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N1CCC(CC1)C(=O)NCC[*:1]
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(F)nc1 c1ccc(cc1)C[*:1] C[C@@H]1CN(CCN1C(=O)c1ccc(F)nc1)[*:1]
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(F)nc1 Fc1ccc(cn1)[*:1] C[C@@H]1CN(CCN1C(=O)[*:1])Cc1ccccc1
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(F)nc1 c1ccc(cc1)[*:1] C[C@@H]1CN(CCN1C(=O)c1ccc(F)nc1)C[*:1]
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc(OC)cc1 CC(C)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)O[*:1])[C@@H]2c1ccc(cc1)OC
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@H]1C(C(=O)OC(C)C)=C(C)NC2C[C@@H](C)[C@@H](C(=O)C=21)[*:1]
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc(OC)cc1 CC(C)OC(=O)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C([C@@H]2c1ccc(cc1)OC)[*:1]
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC(C)C)[C@H]2[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1 C1CCC(CC1)C[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)NNC(=O)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1 C1CCC(CC1)[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)NNC(=O)C[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1 CCC[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)NNC(=O)CC1CCCCC1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1 CCC[C@@H](C)[*:1] O=C(CC1CCCCC1)NNC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1 CCC[C@@H](C)NC(=O)[*:1] O=C(CC1CCCCC1)NNC(=O)N1CCC[C@H](C1)[*:1]
CO[C@]1(C)C[C@H](NC(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)C1(C)C Cc1ccc(cc1F)[*:1] CO[C@]1(C)C[C@H](NC(=O)CCc2nc(no2)[*:1])C1(C)C
Cc1cc(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)COc1ccc(c(C)c1)[*:1]
Cc1cc(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[N+](=O)[O-])OCC(=O)Nc1ccc(C)c(c1)[*:1]
CCn1nc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c2ccccc2c1=O Fc1ccc(c(F)c1)[*:1] CCn1nc(C(=O)OCC(=O)N[*:1])c2ccccc2c1=O
CCN(C(=O)[C@H](C)c1cccc(F)c1)c1ccc(C#N)c(Cl)c1 Fc1cccc(c1)[*:1] CCN(C(=O)[C@H](C)[*:1])c1ccc(C#N)c(Cl)c1
Cc1ccc(Cl)cc1NC(=O)Cn1cc(-c2ccccc2)[n+]2c1CCC2 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)Cn1cc([n+]2CCCc12)[*:1]
Cc1ccc(Cl)cc1NC(=O)Cn1cc(-c2ccccc2)[n+]2c1CCC2 Cc1ccc(Cl)cc1[*:1] O=C(Cn1cc(-c2ccccc2)[n+]2CCCc12)N[*:1]
O=C([O-])Cc1csc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)n1 O=C([O-])C[*:1] O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1nc(cs1)[*:1]
O=C([O-])Cc1csc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)n1 O=C([O-])[*:1] O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1nc(cs1)C[*:1]
O=C([O-])Cc1csc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)n1 O=S1(=O)CC[C@H](C1)[*:1] O=C([O-])Cc1csc(n1)NC(=O)CS[*:1]
C[C@@H](NC(=O)CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(CCCc1nnc2c(=O)n(ccn12)-c1cccc(F)c1)N[*:1]
C[C@@H](NC(=O)CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCCc1nnc2c(=O)n(ccn12)-c1cccc(F)c1)[*:1]
C[C@@H](NC(=O)CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)c1ccccc1 Fc1cccc(c1)[*:1] C[C@@H](NC(=O)CCCc1nnc2c(=O)n(ccn12)[*:1])c1ccccc1
CC(C)c1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c(C(C)C)c1 CC(C)[*:1] CC(C)c1ccc(C(=O)CN2C(=O)N[C@](C)(C2=O)c2ccc(F)cc2)c(c1)[*:1]
CC(C)c1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c(C(C)C)c1 Fc1ccc(cc1)[*:1] CC(C)c1ccc(C(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])c(c1)C(C)C
CC(C)c1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c(C(C)C)c1 CC(C)[*:1] CC(C)c1cc(ccc1C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(F)cc1)[*:1]
C[NH+](CCOCCS)Cc1cccc(F)c1 SCCO[*:1] C[NH+](CC[*:1])Cc1cccc(F)c1
C[NH+](CCOCCS)Cc1cccc(F)c1 SCC[*:1] C[NH+](CCO[*:1])Cc1cccc(F)c1
C[NH+](CCOCCS)Cc1cccc(F)c1 SCCOC[*:1] C[NH+](Cc1cccc(F)c1)C[*:1]
CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)cc1 CNC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N[C@H]1CCCc2ccccc21
CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])C(=O)N[C@H]1CCCc2ccccc21
O=C(NCC1(c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCC1(CC1)c1ccccc1)N1CCN(CC1)[*:1]
O=C(NCC1(c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(NCC1(CC1)[*:1])N1CCN(CC1)c1ccc(F)cc1
CC(=O)c1ccc(CNC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)nc1C CC(C)(C)[*:1] CC(=O)c1ccc(CNC(=O)c2ccc(cc2)C(=O)O[*:1])nc1C
CC(=O)c1ccc(CNC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)nc1C CC(=O)[*:1] Cc1nc(ccc1[*:1])CNC(=O)c1ccc(cc1)C(=O)OC(C)(C)C
CC(=O)c1ccc(CNC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)nc1C CC(C)(C)OC(=O)[*:1] CC(=O)c1ccc(CNC(=O)c2ccc(cc2)[*:1])nc1C
Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)c1C FC(F)(F)C[*:1] Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(C2)[*:1])c1C
Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)c1C Cc1cccc(c1C)[*:1] O=C(N[C@H]1CCN(C1)CC(F)(F)F)C(=O)N[*:1]
Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)c1C FC(F)(F)[*:1] Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(C2)C[*:1])c1C
COc1ccc([C@@H](CNC(=O)c2oc3ccc(C)cc3c2C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1oc2ccc(C)cc2c1C)[*:1]
COc1ccc([C@@H](CNC(=O)c2oc3ccc(C)cc3c2C)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc2oc(C(=O)NC[C@@H](N3CCOCC3)[*:1])c(C)c2c1
C[NH+](CC(=O)[O-])Cc1nc(-c2ccsc2)no1 O=C([O-])[*:1] C[NH+](Cc1nc(no1)-c1ccsc1)C[*:1]
C[NH+](CC(=O)[O-])Cc1nc(-c2ccsc2)no1 c1cc(cs1)[*:1] C[NH+](CC(=O)[O-])Cc1nc(no1)[*:1]
COc1ccc([C@H](C(=O)[O-])[NH+]2CCCCC2)cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@H]([NH+]1CCCCC1)[*:1]
COc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])C[NH2+]Cc1ccc2ccccc2c1
COc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])C[NH2+]Cc1ccc2ccccc2c1
COc1ccc(OC)c(CNC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CNC(=O)C1CCN(CC1)c1ncc(cn1)[*:1]
COc1ccc(OC)c(CNC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)c1 COc1ccc(OC)c(c1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1ncc(cn1)-c1ccccc1
Cc1ccccc1Nc1nc(N)nc(CSc2nnc3n2CCCCC3)n1 Cc1ccccc1[*:1] Nc1nc(CSc2nnc3CCCCCn32)nc(n1)N[*:1]
Cc1ccccc1Nc1nc(N)nc(CSc2nnc3n2CCCCC3)n1 Cc1ccccc1N[*:1] Nc1nc(CSc2nnc3CCCCCn32)nc(n1)[*:1]
CCC(CC)[C@H](NC(=O)NCc1ncn(C)n1)c1cccs1 Cn1cnc(C[*:1])n1 CCC(CC)[C@H](NC(=O)N[*:1])c1cccs1
CCC(CC)[C@H](NC(=O)NCc1ncn(C)n1)c1cccs1 c1csc(c1)[*:1] CCC(CC)[C@H](NC(=O)NCc1ncn(C)n1)[*:1]
CCC(CC)[C@H](NC(=O)NCc1ncn(C)n1)c1cccs1 Cn1cnc(n1)[*:1] CCC(CC)[C@H](NC(=O)NC[*:1])c1cccs1
CCC(CC)[C@H](NC(=O)NCc1ncn(C)n1)c1cccs1 CCC(CC)[*:1] Cn1cnc(CNC(=O)N[C@H](c2cccs2)[*:1])n1
Cc1ccc(NCc2cc([O-])n3nc(-c4ccccc4)nc3n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] [O-]c1cc(CN[*:1])nc2nc(nn12)-c1ccccc1
Cc1ccc(NCc2cc([O-])n3nc(-c4ccccc4)nc3n2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NCc2cc([O-])n3nc(nc3n2)[*:1])c(C)c1
O=C(C[C@@H](C(=O)[O-])c1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 FC(F)(F)[*:1] O=C(C[C@@H](C(=O)[O-])c1ccccc1)Nc1cc(ccc1-n1cncn1)[*:1]
O=C(C[C@@H](C(=O)[O-])c1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 c1ncn(n1)[*:1] O=C(C[C@@H](C(=O)[O-])c1ccccc1)Nc1cc(ccc1[*:1])C(F)(F)F
O=C(C[C@@H](C(=O)[O-])c1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 c1ccc(cc1)[*:1] O=C(C[C@@H](C(=O)[O-])[*:1])Nc1cc(ccc1-n1cncn1)C(F)(F)F
O=C(C[C@@H](C(=O)[O-])c1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 O=C([O-])[*:1] O=C(C[C@@H](c1ccccc1)[*:1])Nc1cc(ccc1-n1cncn1)C(F)(F)F
CCOc1ncccc1CNC(=O)Nc1ccnn1C(C)C CC(C)[*:1] CCOc1ncccc1CNC(=O)Nc1ccnn1[*:1]
CCOc1ncccc1CNC(=O)Nc1ccnn1C(C)C CCO[*:1] CC(C)n1nccc1NC(=O)NCc1cccnc1[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCCN1C(=O)CCC1=O Clc1ccc(cc1)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)NCCN1C(=O)CCC1=O)[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCCN1C(=O)CCC1=O O=C1CCC(=O)N1[*:1] C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCC[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCCN1C(=O)CCC1=O O=C1CCC(=O)N1C[*:1] C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NC[*:1]
COc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1[*:1])NS(=O)(=O)c1ccccc1C#N
COc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1C[*:1])NS(=O)(=O)c1ccccc1C#N
COc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1Cc1ccccc1 N#Cc1ccccc1[*:1] COc1ccc(cc1Cc1ccccc1)NS(=O)(=O)[*:1]
COc1cccc(C(=O)/N=C(/[N-]Cc2cccnc2)Nc2ccc(Cl)cc2C)c1 Cc1cc(Cl)ccc1[*:1] COc1cccc(c1)C(=O)/N=C(/[N-]Cc1cccnc1)N[*:1]
COc1cccc(C(=O)/N=C(/[N-]Cc2cccnc2)Nc2ccc(Cl)cc2C)c1 c1cncc(c1)C[*:1] COc1cccc(c1)C(=O)/N=C(/[N-][*:1])Nc1ccc(Cl)cc1C
COc1cccc(C(=O)/N=C(/[N-]Cc2cccnc2)Nc2ccc(Cl)cc2C)c1 c1cncc(c1)[*:1] COc1cccc(c1)C(=O)/N=C(/[N-]C[*:1])Nc1ccc(Cl)cc1C
COc1cccc(C(=O)/N=C(/[N-]Cc2cccnc2)Nc2ccc(Cl)cc2C)c1 COc1cccc(c1)[*:1] Cc1cc(Cl)ccc1N/C(=N\C(=O)[*:1])[N-]Cc1cccnc1
Cn1nc2n(c1=O)CCN(CCN1CCCC1=O)C2 O=C1CCCN1[*:1] Cn1nc2CN(CCn2c1=O)CC[*:1]
Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3N3C(=O)CSC3=O)CC2=O)cc1 O=C1CSC(=O)N1[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3N3C(=O)CSC3=O)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)CC[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 CC(C)CC[*:1] C[C@H](NS(=O)(=O)c1cccc(C#N)c1)[*:1]
CC(C)CC[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 CC(C)C[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1cccc(C#N)c1
CC(C)CC[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 CC(C)[*:1] C[C@@H](CC[*:1])NS(=O)(=O)c1cccc(C#N)c1
CCc1ccc([C@@H](NC(=O)CC[C@@H](C)O)C(C)C)cc1 C[C@@H](O)CC[*:1] CCc1ccc(cc1)[C@@H](NC(=O)[*:1])C(C)C
CCc1ccc([C@@H](NC(=O)CC[C@@H](C)O)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@@H](NC(=O)CC[C@@H](C)O)[*:1]
CCc1ccc([C@@H](NC(=O)CC[C@@H](C)O)C(C)C)cc1 C[C@@H](O)C[*:1] CCc1ccc(cc1)[C@@H](NC(=O)C[*:1])C(C)C
CCc1ccc([C@@H](NC(=O)CC[C@@H](C)O)C(C)C)cc1 C[C@@H](O)[*:1] CCc1ccc(cc1)[C@@H](NC(=O)CC[*:1])C(C)C
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CCOCC1 CCC[*:1] O=C(C1CCOCC1)N(Cc1nnc(o1)-c1ccccc1Cl)[*:1]
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CCOCC1 C1CC(CCO1)[*:1] CCCN(Cc1nnc(o1)-c1ccccc1Cl)C(=O)[*:1]
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CCOCC1 Clc1ccccc1[*:1] CCCN(Cc1nnc(o1)[*:1])C(=O)C1CCOCC1
CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@H](c1ccc(F)cc1Cl)N(C)C2=O CCO[*:1] CCOc1cc2C(=O)N(C)[C@@H](c3ccc(F)cc3Cl)[C@H](C(=O)[O-])c2cc1[*:1]
CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@H](c1ccc(F)cc1Cl)N(C)C2=O O=C([O-])[*:1] CCOc1cc2C(=O)N(C)[C@@H](c3ccc(F)cc3Cl)[C@H](c2cc1OCC)[*:1]
CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@H](c1ccc(F)cc1Cl)N(C)C2=O Fc1ccc(c(Cl)c1)[*:1] CCOc1cc2C(=O)N(C)[C@@H]([C@H](C(=O)[O-])c2cc1OCC)[*:1]
CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@H](c1ccc(F)cc1Cl)N(C)C2=O CCO[*:1] CCOc1cc2c(cc1[*:1])C(=O)N(C)[C@@H](c1ccc(F)cc1Cl)[C@@H]2C(=O)[O-]
C[C@](O)(CNC(=O)c1cc2ccccc2oc1=O)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNC(=O)c1cc2ccccc2oc1=O)[*:1]
CCOC(=O)C1(c2nnc3n2CCC3)CCC1 CCOC(=O)[*:1] C1Cc2nnc(n2C1)C1(CCC1)[*:1]
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)ccc1O COc1cc(ccc1O)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1c(cnn1[C@H]2[*:1])C(=O)Nc1ccccc1
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)ccc1O O=C(Nc1ccccc1)[*:1] COc1cc(ccc1O)[C@H]1C2C(=O)CC(C)(C)CC=2Nc2c(cnn21)[*:1]
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1C2C(=O)CC(C)(C)CC=2Nc2c(cnn21)C(=O)N[*:1]
Cn1c(-c2ccccc2F)nn(C[NH+](C)Cc2ccc(F)cc2)c1=S Fc1ccccc1[*:1] Cn1c(nn(C[NH+](C)Cc2ccc(F)cc2)c1=S)[*:1]
Cn1c(-c2ccccc2F)nn(C[NH+](C)Cc2ccc(F)cc2)c1=S Fc1ccc(cc1)[*:1] Cn1c(nn(C[NH+](C)C[*:1])c1=S)-c1ccccc1F
Cn1c(-c2ccccc2F)nn(C[NH+](C)Cc2ccc(F)cc2)c1=S Fc1ccc(cc1)C[*:1] Cn1c(nn(C[NH+](C)[*:1])c1=S)-c1ccccc1F
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](Oc2ccccc2F)C1 NC(=O)[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)Oc1ccccc1F)[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](Oc2ccccc2F)C1 CC(C)[*:1] NC(=O)[C@@]1(CC[C@@H](C1)Oc1ccccc1F)[NH2+][*:1]
C[C@H](NC(=O)N1C[C@H](C)c2ccccc21)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] C[C@H](NC(=O)N1C[C@H](C)c2ccccc21)c1cccc(c1)[*:1]
Cc1nc(-c2nnc(NC(=O)Cc3ccc(C(C)C)cc3)o2)cs1 Cc1nc(cs1)[*:1] CC(C)c1ccc(cc1)CC(=O)Nc1nnc(o1)[*:1]
Cc1nc(-c2nnc(NC(=O)Cc3ccc(C(C)C)cc3)o2)cs1 CC(C)[*:1] Cc1nc(cs1)-c1nnc(NC(=O)Cc2ccc(cc2)[*:1])o1
O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)NC1(c2noc(C3CC3)n2)CCCC1 C1CC1[*:1] O=C(N[C@@H](c1ccc2OCCOc2c1)C1CC1)NC1(CCCC1)c1noc(n1)[*:1]
O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)NC1(c2noc(C3CC3)n2)CCCC1 C1CC1[*:1] O=C(N[C@@H](c1ccc2OCCOc2c1)[*:1])NC1(CCCC1)c1noc(n1)C1CC1
O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)NC1(c2noc(C3CC3)n2)CCCC1 C1CC1c1nc(no1)[*:1] O=C(N[C@@H](c1ccc2OCCOc2c1)C1CC1)NC1(CCCC1)[*:1]
O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)NC1(c2noc(C3CC3)n2)CCCC1 c1cc2OCCOc2cc1[*:1] O=C(N[C@@H](C1CC1)[*:1])NC1(CCCC1)c1noc(n1)C1CC1
C[C@@H](NC(=O)CCn1nnnc1CN1CCOCC1)c1ccccc1Cl C1CN(CCO1)[*:1] C[C@@H](NC(=O)CCn1nnnc1C[*:1])c1ccccc1Cl
C[C@@H](NC(=O)CCn1nnnc1CN1CCOCC1)c1ccccc1Cl C1CN(CCO1)C[*:1] C[C@@H](NC(=O)CCn1nnnc1[*:1])c1ccccc1Cl
C[C@@H](NC(=O)CCn1nnnc1CN1CCOCC1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)CCn1nnnc1CN1CCOCC1)[*:1]
Cc1cc(N2CC[C@@H](N3CCOCC3)[C@H](O)C2)c2cc3c(cc2[nH+]1)OCO3 C1CN(CCO1)[*:1] Cc1cc(c2cc3OCOc3cc2[nH+]1)N1CC[C@@H]([C@H](O)C1)[*:1]
CC(C)C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 CC(C)C[*:1] C[C@H]1C[C@H](CC[NH2+]1)[NH2+][*:1]
CC(C)C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 CC(C)[*:1] C[C@H]1C[C@H](CC[NH2+]1)[NH2+]C[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)C/C=C/c2ccc(F)cc2)CC1 CC[C@H](C)[*:1] O=C(CN1CCN(CC1)C(=O)C/C=C/c1ccc(F)cc1)N[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)C/C=C/c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)CN1CCN(CC1)C(=O)CC=C[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)C/C=C/c2ccc(F)cc2)CC1 CC[C@H](C)NC(=O)C[*:1] O=C(C/C=C/c1ccc(F)cc1)N1CCN(CC1)[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)C/C=C/c2ccc(F)cc2)CC1 CC[C@H](C)NC(=O)[*:1] O=C(C/C=C/c1ccc(F)cc1)N1CCN(CC1)C[*:1]
O=C(Nc1cccnc1)c1ccc2c(n1)NCCS2 c1cncc(c1)[*:1] O=C(N[*:1])c1ccc2SCCNc2n1
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC1(CCCC1)[*:1]
C=CCn1/c(=N\C(=O)c2ccc(SC(C)C)cc2)sc2cc(S(N)(=O)=O)ccc21 CC(C)[*:1] C=CCn1/c(=N\C(=O)c2ccc(cc2)S[*:1])sc2cc(ccc21)S(N)(=O)=O
C=CCn1/c(=N\C(=O)c2ccc(SC(C)C)cc2)sc2cc(S(N)(=O)=O)ccc21 C=CC[*:1] CC(C)Sc1ccc(cc1)C(=O)/N=c1/sc2cc(ccc2n1[*:1])S(N)(=O)=O
C=CCn1/c(=N\C(=O)c2ccc(SC(C)C)cc2)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] C=CCn1/c(=N\C(=O)c2ccc(cc2)SC(C)C)sc2cc(ccc21)[*:1]
C=CCn1/c(=N\C(=O)c2ccc(SC(C)C)cc2)sc2cc(S(N)(=O)=O)ccc21 CC(C)S[*:1] C=CCn1/c(=N\C(=O)c2ccc(cc2)[*:1])sc2cc(ccc21)S(N)(=O)=O
Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1csc(n1)Sc1ccc(cc1[*:1])C(=O)N[C@@H]1CCOc2ccccc21
Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2[N+](=O)[O-])n1 Cc1csc(n1)[*:1] O=C(N[C@@H]1CCOc2ccccc21)c1ccc(S[*:1])c(c1)[N+](=O)[O-]
Cc1csc(Sc2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2[N+](=O)[O-])n1 Cc1csc(n1)S[*:1] O=C(N[C@@H]1CCOc2ccccc21)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[C@@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)[*:1]
C[C@@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)c1ccsc1 Clc1ccc(cc1)[*:1] C[C@@H](CNC(=O)NNC(=O)C[*:1])c1ccsc1
Nc1c(-c2nc(-c3cccs3)no2)nnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nc1c(nnn1[*:1])-c1nc(no1)-c1cccs1
Nc1c(-c2nc(-c3cccs3)no2)nnn1-c1ccc(Cl)cc1 c1csc(c1)[*:1] Nc1c(nnn1-c1ccc(Cl)cc1)-c1nc(no1)[*:1]
CSCC[C@@H]([NH3+])C(=O)Nc1ccc2oc(=O)[nH]c2c1 CSCC[*:1] [NH3+][C@@H](C(=O)Nc1ccc2oc(=O)[nH]c2c1)[*:1]
CSCC[C@@H]([NH3+])C(=O)Nc1ccc2oc(=O)[nH]c2c1 CSC[*:1] [NH3+][C@H](C[*:1])C(=O)Nc1ccc2oc(=O)[nH]c2c1
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)/N=C1/c2ccccc2CN1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] N#C/C(=C\c1ccc2OCOc2c1)C(=O)/N=C1/c2ccccc2CN1[*:1]
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)/N=C1/c2ccccc2CN1c1cccc([N+](=O)[O-])c1 c1cc2OCOc2cc1[*:1] N#CC(=C[*:1])C(=O)/N=C1/c2ccccc2CN1c1cccc(c1)[N+](=O)[O-]
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)/N=C1/c2ccccc2CN1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#C/C(=C\c1ccc2OCOc2c1)C(=O)/N=C1/c2ccccc2CN1c1cccc(c1)[*:1]
Cc1sc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n(C)c(=O)c2c1C c1cc2OCOc2cc1[*:1] Cc1sc2nc(SCC(=O)NC[*:1])n(C)c(=O)c2c1C
CCc1sc(-c2nnc(CSc3nnc(C4CC4)n3-c3ccccc3)o2)cc1C C1CC1[*:1] CCc1sc(cc1C)-c1nnc(CSc2nnc(n2-c2ccccc2)[*:1])o1
CCc1sc(-c2nnc(CSc3nnc(C4CC4)n3-c3ccccc3)o2)cc1C c1ccc(cc1)[*:1] CCc1sc(cc1C)-c1nnc(CSc2nnc(C3CC3)n2[*:1])o1
CCc1sc(-c2nnc(CSc3nnc(C4CC4)n3-c3ccccc3)o2)cc1C CCc1sc(cc1C)[*:1] c1ccc(cc1)-n1c(nnc1C1CC1)SCc1nnc(o1)[*:1]
COc1ccc(C[C@H](C)[NH2+]Cc2nncn2C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C[C@H](C)[NH2+]Cc1nncn1[*:1]
Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 Cc1ccccc1[*:1] C[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCC(=O)N[*:1])CC1
CCc1nc([C@H](C)NC(=O)C(C)(C)c2cccc(C#N)c2)cs1 CCc1nc(cs1)[*:1] C[C@H](NC(=O)C(C)(C)c1cccc(C#N)c1)[*:1]
CCCCN1C(=O)[C@@H](C(=O)Nc2nc3ccccc3[nH]2)[C@H](O)c2ccccc21 c1ccc2[nH]c(nc2c1)[*:1] CCCCN1C(=O)[C@@H](C(=O)N[*:1])[C@H](O)c2ccccc21
CCCCN1C(=O)[C@@H](C(=O)Nc2nc3ccccc3[nH]2)[C@H](O)c2ccccc21 CCC[*:1] O=C(Nc1nc2ccccc2[nH]1)[C@@H]1C(=O)N(C[*:1])c2ccccc2[C@H]1O
CCCCN1C(=O)[C@@H](C(=O)Nc2nc3ccccc3[nH]2)[C@H](O)c2ccccc21 CCCC[*:1] O=C(Nc1nc2ccccc2[nH]1)[C@@H]1C(=O)N(c2ccccc2[C@H]1O)[*:1]
CCOCCN(C)C(=O)c1nc(-c2ccccc2)oc1C1CC1 CCOCC[*:1] CN(C(=O)c1nc(oc1C1CC1)-c1ccccc1)[*:1]
CCOCCN(C)C(=O)c1nc(-c2ccccc2)oc1C1CC1 CCO[*:1] CN(CC[*:1])C(=O)c1nc(oc1C1CC1)-c1ccccc1
CCOCCN(C)C(=O)c1nc(-c2ccccc2)oc1C1CC1 C1CC1[*:1] CCOCCN(C)C(=O)c1nc(oc1[*:1])-c1ccccc1
CCOCCN(C)C(=O)c1nc(-c2ccccc2)oc1C1CC1 c1ccc(cc1)[*:1] CCOCCN(C)C(=O)c1nc(oc1C1CC1)[*:1]
CCOCCN(C)C(=O)c1nc(-c2ccccc2)oc1C1CC1 CCOC[*:1] CN(C[*:1])C(=O)c1nc(oc1C1CC1)-c1ccccc1
CC(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]1c1ccccc1Cl CC(=O)[*:1] C[NH+](C)CCN1C(=O)C([O-])=C([C@H]1c1ccccc1Cl)[*:1]
CC(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] CC(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@H]1[*:1]
COc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2ccncc2)cc1 O=C(Nc1ccncc1)[*:1] COc1ccc(cc1)C(=O)N/C(=C/c1ccco1)[*:1]
COc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2ccncc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccncc1)/C(=C\c1ccco1)NC(=O)[*:1]
COc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2ccncc2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C(=O)NC(=C[*:1])C(=O)Nc1ccncc1
COc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)C(=O)N/C(=C/c1ccco1)C(=O)N[*:1]
C[C@@H](CCCO)Nc1ccc(S(N)(=O)=O)cc1 OCCC[*:1] C[C@@H](Nc1ccc(cc1)S(N)(=O)=O)[*:1]
C[C@@H](CCCO)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](CCCO)Nc1ccc(cc1)[*:1]
C[C@@H](CCCO)Nc1ccc(S(N)(=O)=O)cc1 OCC[*:1] C[C@@H](C[*:1])Nc1ccc(cc1)S(N)(=O)=O
Cc1cc(CCNC(=O)Cc2noc3ccccc23)on1 Cc1cc(on1)[*:1] O=C(Cc1noc2ccccc12)NCC[*:1]
Cc1cc(CCNC(=O)Cc2noc3ccccc23)on1 Cc1cc(C[*:1])on1 O=C(Cc1noc2ccccc12)NC[*:1]
CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(C)cc2Cl)c2ccccc2O1 CNC(=O)[*:1] Cc1ccc(NC(=O)CN2C[C@@H](Oc3ccccc32)[*:1])c(Cl)c1
CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(C)cc2Cl)c2ccccc2O1 Cc1ccc(c(Cl)c1)[*:1] CNC(=O)[C@H]1CN(CC(=O)N[*:1])c2ccccc2O1
Cc1cnc(N(C)CC2CCCC2)c([N+](=O)[O-])c1 C1CCC(C1)[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N(C)C[*:1]
Cc1cnc(N(C)CC2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(c(c1)[*:1])N(C)CC1CCCC1
Cc1cnc(N(C)CC2CCCC2)c([N+](=O)[O-])c1 C1CCC(C1)C[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N(C)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C(C)C)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)N1CCN(CC1)[*:1])C(C)C
Cc1cccc(C(=O)N[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCN(CC1)c1cccc(Cl)c1
CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H]1CCCc2ccc(F)cc21 CC(C)[*:1] Cn1nc(c(C(=O)N[C@H]2CCCc3ccc(F)cc32)c1Cl)[*:1]
C[C@H](CNC(=O)NCCO)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)NCCO)N(C)[*:1]
C[C@H](CNC(=O)NCCO)N(C)c1ccccc1 OCC[*:1] C[C@H](CNC(=O)N[*:1])N(C)c1ccccc1
CCc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccccc3C)n2)cc1 Cc1ccccc1[C@H](C)[*:1] CCc1ccc(cc1)-c1noc(CCC(=O)N[*:1])n1
CCc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccccc3C)n2)cc1 Cc1ccccc1[*:1] CCc1ccc(cc1)-c1noc(CCC(=O)N[C@@H](C)[*:1])n1
CCc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccccc3C)n2)cc1 CCc1ccc(cc1)[*:1] Cc1ccccc1[C@H](C)NC(=O)CCc1nc(no1)[*:1]
O=C(NC1COC1)c1ccc(NC(=O)C2CC2)s1 C1OCC1[*:1] O=C(N[*:1])c1ccc(NC(=O)C2CC2)s1
O=C(NC1COC1)c1ccc(NC(=O)C2CC2)s1 O=C(N[*:1])C1CC1 O=C(NC1COC1)c1ccc(s1)[*:1]
O=C(NC1COC1)c1ccc(NC(=O)C2CC2)s1 C1CC1[*:1] O=C(NC1COC1)c1ccc(NC(=O)[*:1])s1
Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H]1CCC[C@@]1(C)CO c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H]1CCC[C@@]1(C)CO)[*:1]
COc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 c1ccc2c(c[nH]c2c1)C[*:1] COc1cccc(c1)NC(=O)[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)[*:1]
COc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 COc1cccc(c1)NC(=O)[*:1] O=C(N[C@@H](Cc1c[nH]c2ccccc12)[*:1])[C@H]1Cc2ccccc2C[NH2+]1
COc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1
COc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 c1ccc2c(c[nH]c2c1)[*:1] COc1cccc(c1)NC(=O)[C@H](C[*:1])NC(=O)[C@H]1Cc2ccccc2C[NH2+]1
Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc[nH]3)CC2=O)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(NCCc1ccc[nH]1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc[nH]3)CC2=O)c(F)c1 c1c[nH]c(c1)CC[*:1] Cc1ccc(c(F)c1)N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc[nH]3)CC2=O)c(F)c1 c1c[nH]c(c1)C[*:1] Cc1ccc(c(F)c1)N1C[C@H](CC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc[nH]3)CC2=O)c(F)c1 c1c[nH]c(c1)[*:1] Cc1ccc(c(F)c1)N1C[C@H](CC1=O)C(=O)NCC[*:1]
CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccc(F)c1 Fc1cccc(c1)[*:1] CCSc1nc(=O)c2c(NC3CC(C)(C)CC(=O)C=3[C@H]2[*:1])[nH]1
CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccc(F)c1 CCS[*:1] CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(nc(=O)c1[C@H]2c1cccc(F)c1)[*:1]
CCS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1C CCS(=O)(=O)[*:1] C[C@H]1CCCCN1C(=O)NCC[*:1]
Cc1n[nH]c(-c2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3CCCO3)cc2)n1 C1CO[C@@H](C1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NC(=O)C(=O)N[C@@H](C)[*:1]
Cc1n[nH]c(-c2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3CCCO3)cc2)n1 Cc1n[nH]c(n1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])[C@@H]1CCCO1
Cc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccn1 Cc1ccccc1[*:1] NC(=O)CSc1nnc(-c2ccccn2)n1[*:1]
Cc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccn1 c1ccc(nc1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])SCC(N)=O
Cc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccn1 NC(=O)CS[*:1] Cc1ccccc1-n1c(nnc1[*:1])-c1ccccn1
Cc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccn1 NC(=O)[*:1] Cc1ccccc1-n1c(nnc1-c1ccccn1)SC[*:1]
Cc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccn1 NC(=O)C[*:1] Cc1ccccc1-n1c(nnc1-c1ccccn1)S[*:1]
COc1ccc2cc(CNc3ccc(C(N)=O)c(Cl)c3)c(Cl)nc2c1 NC(=O)[*:1] COc1ccc2cc(CNc3ccc(c(Cl)c3)[*:1])c(Cl)nc2c1
CCc1cc(N2CCC([NH2+][C@@H]3CCNC3)CC2)nc(N2CCCC2)n1 C1CCN(C1)[*:1] CCc1cc(nc(n1)[*:1])N1CCC(CC1)[NH2+][C@@H]1CCNC1
CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CO)C(C)C CC(C)[*:1] CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CO)[*:1]
Cc1cccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c1 c1cc2OCOc2cc1[*:1] Cc1cccc(c1)NC(=O)CN1N=C(CCC1=O)c1nc(no1)[*:1]
Cc1cccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c1 Cc1cccc(c1)NC(=O)[*:1] O=C1CCC(=NN1C[*:1])c1nc(no1)-c1ccc2OCOc2c1
Cc1cccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c1 Cc1cccc(c1)[*:1] O=C(CN1N=C(CCC1=O)c1nc(no1)-c1ccc2OCOc2c1)N[*:1]
COc1ccc2c(c1)=[NH+]C(=O)[C@@H](CN(C)C(=O)CC(C)C)C=2 CC(C)C[*:1] COc1ccc2=C[C@H](CN(C)C(=O)[*:1])C(=O)[NH+]=c2c1
COc1ccc2c(c1)=[NH+]C(=O)[C@@H](CN(C)C(=O)CC(C)C)C=2 CC(C)[*:1] COc1ccc2=C[C@H](CN(C)C(=O)C[*:1])C(=O)[NH+]=c2c1
[NH3+]CCc1cc(F)ccc1F [NH3+]CC[*:1] Fc1ccc(F)c(c1)[*:1]
C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 C=CCOc1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1[*:1])OC(=O)[C@H]1COc2ccccc2O1
C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 C=CC[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1c1ccc(cc1)O[*:1])OC(=O)[C@H]1COc2ccccc2O1
C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 C=CCO[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1c1ccc(cc1)[*:1])OC(=O)[C@H]1COc2ccccc2O1
O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)[C@@H]1COc2ccccc21 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C(=O)NC1CC1)[C@@H]1COc2ccccc21
O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)[C@@H]1COc2ccccc21 C1CC1[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N[*:1])[C@@H]1COc2ccccc21
O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)[C@@H]1COc2ccccc21 c1ccc(cc1)C[*:1] O=C(N[C@H](C(=O)NC1CC1)[*:1])[C@@H]1COc2ccccc21
O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)[C@@H]1COc2ccccc21 O=C(NC1CC1)[*:1] O=C(N[C@H](Cc1ccccc1)[*:1])[C@@H]1COc2ccccc21
CC(C)=C[C@@]1(O)CCCC[C@@H]1c1ccccc1 CC(C)=C[*:1] O[C@]1(CCCC[C@@H]1c1ccccc1)[*:1]
CN(CC(=O)NCc1ccco1)C(=O)CN1CCO[C@@H](c2ccccc2)C1 c1coc(c1)C[*:1] CN(CC(=O)N[*:1])C(=O)CN1CCO[C@H](C1)c1ccccc1
CN(CC(=O)NCc1ccco1)C(=O)CN1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN(CC(=O)NCc1ccco1)C(=O)CN1CCO[C@@H](C1)[*:1]
CN(CC(=O)NCc1ccco1)C(=O)CN1CCO[C@@H](c2ccccc2)C1 O=C(NCc1ccco1)[*:1] CN(C[*:1])C(=O)CN1CCO[C@H](C1)c1ccccc1
CN(CC(=O)NCc1ccco1)C(=O)CN1CCO[C@@H](c2ccccc2)C1 c1coc(c1)[*:1] CN(CC(=O)NC[*:1])C(=O)CN1CCO[C@H](C1)c1ccccc1
[NH3+][C@@H](CNC(=O)NC1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@@H](CNC(=O)NC1CCCC1)[*:1]
[NH3+][C@@H](CNC(=O)NC1CCCC1)c1ccccc1 C1CCC(C1)[*:1] [NH3+][C@@H](CNC(=O)N[*:1])c1ccccc1
C[C@H](CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 CN(C)S(=O)(=O)[*:1] C[C@H](CN[C@H](C)c1ccc(cc1)[*:1])c1ccccc1
C[C@H](CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](NC[*:1])c1ccc(cc1)S(=O)(=O)N(C)C
C[C@H](CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CN[C@H](C)c1ccc(cc1)S(=O)(=O)N(C)C)[*:1]
Cc1ccc([C@@H](C)Nc2nc3ccc([N+](=O)[O-])cc3o2)o1 Cc1ccc(o1)[*:1] C[C@@H](Nc1nc2ccc(cc2o1)[N+](=O)[O-])[*:1]
Cc1ccc([C@@H](C)Nc2nc3ccc([N+](=O)[O-])cc3o2)o1 O=[N+]([O-])[*:1] Cc1ccc(o1)[C@@H](C)Nc1nc2ccc(cc2o1)[*:1]
CN(C)c1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c[nH+]1 CN(C)[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)Nc1ccc([nH+]c1)[*:1]
CCOc1ccc(-n2c(CN[C@H](C)c3ccc4c(c3)OCCO4)nc3ccccc3c2=O)cc1 CCOc1ccc(cc1)[*:1] C[C@@H](NCc1nc2ccccc2c(=O)n1[*:1])c1ccc2OCCOc2c1
CCOc1ccc(-n2c(CN[C@H](C)c3ccc4c(c3)OCCO4)nc3ccccc3c2=O)cc1 CCO[*:1] C[C@@H](NCc1nc2ccccc2c(=O)n1-c1ccc(cc1)[*:1])c1ccc2OCCOc2c1
CCOc1ccc(-n2c(CN[C@H](C)c3ccc4c(c3)OCCO4)nc3ccccc3c2=O)cc1 c1cc2OCCOc2cc1[*:1] CCOc1ccc(cc1)-n1c(CN[C@H](C)[*:1])nc2ccccc2c1=O
Cc1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nnc(S[C@H](C)C(=O)Nc2ccc3OCOc3c2)n1[*:1]
Cc1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1Cc1ccccc1 c1cc2OCOc2cc1[*:1] Cc1nnc(S[C@H](C)C(=O)N[*:1])n1Cc1ccccc1
Cc1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(S[C@H](C)C(=O)Nc2ccc3OCOc3c2)n1C[*:1]
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 C[C@H](c1ccncc1)[*:1] Cc1nn(cc1[C@@H](C)[NH2+]C1CCN(CC1)[*:1])C(C)(C)C
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 CC(C)(C)[*:1] Cc1nn(cc1[C@@H](C)[NH2+]C1CCN(CC1)[C@H](C)c1ccncc1)[*:1]
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 c1cc(ccn1)[*:1] Cc1nn(cc1[C@@H](C)[NH2+]C1CCN(CC1)[C@H](C)[*:1])C(C)(C)C
COc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Br)cc3s2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N(Cc1cccnc1)c1nc2ccc(Br)cc2s1)[*:1]
COc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Br)cc3s2)cc1OC Brc1ccc2nc(sc2c1)[*:1] COc1ccc(cc1OC)C(=O)N(Cc1cccnc1)[*:1]
COc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Br)cc3s2)cc1OC c1cncc(c1)C[*:1] COc1ccc(cc1OC)C(=O)N(c1nc2ccc(Br)cc2s1)[*:1]
COc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Br)cc3s2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)C(=O)N(C[*:1])c1nc2ccc(Br)cc2s1
CCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)ccc21 CCC[*:1] Cc1ccc(cc1F)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N[*:1]
CCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)ccc21 Cc1ccc(cc1F)[*:1] CCCNC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[*:1]
C#CCN(CC(=O)[O-])C(=O)N1CCC(OCC)CC1 O=C([O-])C[*:1] C#CCN(C(=O)N1CCC(CC1)OCC)[*:1]
C#CCN(CC(=O)[O-])C(=O)N1CCC(OCC)CC1 C#CC[*:1] CCOC1CCN(CC1)C(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)N1CCC(OCC)CC1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)N1CCC(CC1)OCC
C#CCN(CC(=O)[O-])C(=O)N1CCC(OCC)CC1 CCO[*:1] C#CCN(CC(=O)[O-])C(=O)N1CCC(CC1)[*:1]
CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 CC(C)[C@H](C)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 CC(C)[C@H](C)NC(=O)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](C)[*:1]
C[C@@H](/C([O-])=C(\C#N)C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@@H](/C([O-])=C(\C#N)C(=O)N[*:1])c1ccc2OCCOc2c1
C[NH+](CC(=O)NCCc1cnn(-c2ccccc2)c1)C1CCC1 C1CC(C1)[*:1] C[NH+](CC(=O)NCCc1cnn(c1)-c1ccccc1)[*:1]
C[NH+](CC(=O)NCCc1cnn(-c2ccccc2)c1)C1CCC1 c1ccc(cc1)[*:1] C[NH+](CC(=O)NCCc1cnn(c1)[*:1])C1CCC1
N#Cc1ccccc1S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] N#Cc1ccccc1S(=O)(=O)N1CCc2ccc(cc2C1)[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 N#Cc1ccccc1[*:1] O=[N+]([O-])c1ccc2CCN(Cc2c1)S(=O)(=O)[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1ccc(N2CCCC2)nc1 NC(=O)[*:1] CC(C)(C)[NH+](Cc1ccc(nc1)N1CCCC1)C[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1ccc(N2CCCC2)nc1 CC(C)(C)[*:1] NC(=O)C[NH+](Cc1ccc(nc1)N1CCCC1)[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1ccc(N2CCCC2)nc1 NC(=O)C[*:1] CC(C)(C)[NH+](Cc1ccc(nc1)N1CCCC1)[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] CC(C)(C)[NH+](CC(N)=O)Cc1ccc(nc1)[*:1]
CC(C)(C)c1ccc(CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 CC(C)(C)[*:1] O=C(NCc1ccc(cc1)[*:1])N1CC[C@](O)(C1)C(F)(F)F
CC(C)(C)c1ccc(CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 FC(F)(F)[*:1] CC(C)(C)c1ccc(cc1)CNC(=O)N1CC[C@@](O)(C1)[*:1]
O=C(CN1CCc2cc(Br)cc(F)c21)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(CN1CCc2cc(Br)cc(F)c21)N[*:1]
CCS(=O)(=O)CCNC(=O)NC[C@H]1CCC[C@H](C)C1 CCS(=O)(=O)[*:1] C[C@H]1CCC[C@H](CNC(=O)NCC[*:1])C1
CCS(=O)(=O)CCNC(=O)NC[C@H]1CCC[C@H](C)C1 CCS(=O)(=O)C[*:1] C[C@H]1CCC[C@H](CNC(=O)NC[*:1])C1
C[C@@H](Sc1nnnn1C1CC1)C(=O)OCc1nccn1C Cn1ccnc1[*:1] C[C@@H](Sc1nnnn1C1CC1)C(=O)OC[*:1]
C[C@@H](Sc1nnnn1C1CC1)C(=O)OCc1nccn1C C1CC1[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)OCc1nccn1C
C[C@@H](Sc1nnnn1C1CC1)C(=O)OCc1nccn1C Cn1ccnc1C[*:1] C[C@@H](Sc1nnnn1C1CC1)C(=O)O[*:1]
Cc1ccccc1CC(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 O=S(=O)(NC1CC1)[*:1] Cc1ccccc1CC(=O)NCc1ccc(cc1)[*:1]
Cc1ccccc1CC(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 C1CC1[*:1] Cc1ccccc1CC(=O)NCc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccccc1CC(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 Cc1ccccc1[*:1] O=C(C[*:1])NCc1ccc(cc1)S(=O)(=O)NC1CC1
Cc1ccccc1CC(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 Cc1ccccc1C[*:1] O=C(NCc1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
CC1(C)Cc2cccc(OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2O1 O=[N+]([O-])[*:1] CC1(C)Cc2cccc(OCC(=O)Nc3ccc(Cl)c(c3)[*:1])c2O1
CC(C)OCC(=O)N1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 CC(C)OC[*:1] Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)OCC(=O)N1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 CC(C)O[*:1] Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C1)C(=O)C[*:1]
CC(C)OCC(=O)N1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 CC(C)[*:1] Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C1)C(=O)CO[*:1]
C[C@H](C(=O)NC(=O)NC1CC1)N1CCn2c(nn(C)c2=O)C1 C1CC1[*:1] C[C@H](C(=O)NC(=O)N[*:1])N1CCn2c(C1)nn(C)c2=O
O=[N+]([O-])C[C@@H](O)c1ccc([C@H](O)C[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=[N+]([O-])C[C@@H](O)c1ccc(cc1)[C@H](O)C[*:1]
O=[N+]([O-])C[C@@H](O)c1ccc([C@H](O)C[N+](=O)[O-])cc1 O=[N+]([O-])C[C@@H](O)[*:1] O=[N+]([O-])C[C@@H](O)c1ccc(cc1)[*:1]
O=[N+]([O-])C[C@@H](O)c1ccc([C@H](O)C[N+](=O)[O-])cc1 O=[N+]([O-])C[*:1] O=[N+]([O-])C[C@@H](O)c1ccc(cc1)[C@H](O)[*:1]
Cc1c(Cl)cccc1Nc1c(-c2cccc(O)c2)nc2cnccn12 Cc1c(Cl)cccc1[*:1] Oc1cccc(c1)-c1nc2cnccn2c1N[*:1]
Cc1c(Cl)cccc1Nc1c(-c2cccc(O)c2)nc2cnccn12 Oc1cccc(c1)[*:1] Cc1c(Cl)cccc1Nc1c(nc2cnccn12)[*:1]
Cc1ccc(Cl)cc1N1CC[NH+](Cc2nnnn2C(C)(C)C)CC1 Cc1ccc(Cl)cc1[*:1] CC(C)(C)n1nnnc1C[NH+]1CCN(CC1)[*:1]
Cc1ccc(Cl)cc1N1CC[NH+](Cc2nnnn2C(C)(C)C)CC1 CC(C)(C)[*:1] Cc1ccc(Cl)cc1N1CC[NH+](CC1)Cc1nnnn1[*:1]
Cn1c(=O)c2[nH]c(NCCCCl)nc2n(C)c1=O ClCC[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)NC[*:1]
Cn1c(=O)c2[nH]c(NCCCCl)nc2n(C)c1=O ClCCCN[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)[*:1]
Cn1c(=O)c2[nH]c(NCCCCl)nc2n(C)c1=O ClCCC[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)N[*:1]
Cc1c(CN2CC[NH2+]C[C@@H]2C#N)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])CN1CC[NH2+]C[C@@H]1C#N
Cc1cc(C)n(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NCC[*:1]
Cc1cc(C)n(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 O=[N+]([O-])[*:1] Cc1cc(C)n(CCNC(=O)c2ccc(c(C)c2)[*:1])n1
CCN(CC)C(=O)c1cc(NC[C@@]2(C)CCCO2)ccn1 CCN(CC)C(=O)[*:1] C[C@@]1(CCCO1)CNc1ccnc(c1)[*:1]
CC(C)c1cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)nn1C C1CC1[*:1] CC(C)c1cc(nn1C)C(=O)N(Cc1ccccc1C(F)(F)F)[*:1]
CC(C)c1cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)nn1C FC(F)(F)[*:1] CC(C)c1cc(nn1C)C(=O)N(Cc1ccccc1[*:1])C1CC1
CC(C)c1cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1
C[C@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1 c1ccc(cc1)C[*:1] C[C@]12CC[C@H]3O[C@H](OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1)[*:1]
C[C@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1 O=C(NCc1cccs1)[*:1] C[C@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2C[*:1]
C[C@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1 c1ccc(cc1)[*:1] C[C@]12CC[C@H]3O[C@H](C[*:1])OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1
C[C@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1 c1csc(c1)[*:1] C[C@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NC[*:1]
C[C@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1 O=C(C[*:1])NCc1cccs1 C[C@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@@H]2[*:1]
C[C@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1cccs1 c1csc(c1)C[*:1] C[C@]12CC[C@H]3O[C@H](Cc4ccccc4)OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)N[*:1]
Cn1cnnc1[C@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 Cn1cnnc1[*:1] N#Cc1ccc2nc(ccc2c1)N1CCC[C@@H](C1)[*:1]
CC[C@H](CC(=O)Nc1ccc(N2CCOCC2)cc1C(N)=O)C(C)C NC(=O)[*:1] CC[C@H](CC(=O)Nc1ccc(cc1[*:1])N1CCOCC1)C(C)C
CC[C@H](CC(=O)Nc1ccc(N2CCOCC2)cc1C(N)=O)C(C)C C1CN(CCO1)[*:1] CC[C@H](CC(=O)Nc1ccc(cc1C(N)=O)[*:1])C(C)C
CC[C@H](CC(=O)Nc1ccc(N2CCOCC2)cc1C(N)=O)C(C)C CC(C)[*:1] CC[C@H](CC(=O)Nc1ccc(cc1C(N)=O)N1CCOCC1)[*:1]
CC[C@H](C)NC(=O)Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1 CC[C@H](C)NC(=O)[*:1] O=C1CC[C@@H](N1)C(=O)Nc1nc(cs1)C[*:1]
CC[C@H](C)NC(=O)Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1 O=C1CC[C@@H](N1)[*:1] CC[C@H](C)NC(=O)Cc1csc(n1)NC(=O)[*:1]
CC[C@H](C)NC(=O)Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1 CC[C@H](C)[*:1] O=C1CC[C@@H](N1)C(=O)Nc1nc(cs1)CC(=O)N[*:1]
CCN(Cc1ccc(Cl)c(Cl)c1)CC(C)(C)C[NH3+] CC(C)(C[NH3+])C[*:1] CCN(Cc1ccc(Cl)c(Cl)c1)[*:1]
Cc1n[nH]c(C)c1N1CCN(CC(=O)NC[C@H]2CCCO2)CC1 Cc1n[nH]c(C)c1[*:1] O=C(CN1CCN(CC1)[*:1])NC[C@H]1CCCO1
Cc1n[nH]c(C)c1N1CCN(CC(=O)NC[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] Cc1n[nH]c(C)c1N1CCN(CC1)CC(=O)N[*:1]
Cc1n[nH]c(C)c1N1CCN(CC(=O)NC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] Cc1n[nH]c(C)c1N1CCN(CC1)CC(=O)NC[*:1]
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)c12 Fc1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)c12)[*:1]
CCOc1ccc([C@@H](N)C(C)(C)[NH+]2CCCCCC2)cc1 CCO[*:1] CC(C)([C@H](N)c1ccc(cc1)[*:1])[NH+]1CCCCCC1
Cc1cc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc(C)c1Cl NC(=O)[*:1] Cc1cc(/C=C/C(=O)Nc2sc3CCCCc3c2[*:1])cc(C)c1Cl
CCOc1ccc(CCN2CNc3c(C(=O)OC)cnn3C2)cc1 CCO[*:1] COC(=O)c1cnn2CN(CCc3ccc(cc3)[*:1])CNc12
CCOc1ccc(CCN2CNc3c(C(=O)OC)cnn3C2)cc1 COC(=O)[*:1] CCOc1ccc(cc1)CCN1CNc2c(cnn2C1)[*:1]
C[C@H](CNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)c1cccc(c1)NC(=O)c1ccco1)[*:1]
C[C@H](CNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1cccs1 O=C(N[*:1])c1ccco1 C[C@H](CNC(=O)c1cccc(c1)[*:1])c1cccs1
C[C@H](CNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1cccs1 c1coc(c1)[*:1] C[C@H](CNC(=O)c1cccc(c1)NC(=O)[*:1])c1cccs1
CN(C[C@@H]1CCOC1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1C[C@H](CO1)[*:1] CN(C[*:1])C(=O)Nc1cnn(c1)C[C@H]1CCCO1
CN(C[C@@H]1CCOC1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1C[C@H](CO1)C[*:1] CN(C(=O)Nc1cnn(c1)C[C@H]1CCCO1)[*:1]
CN(C[C@@H]1CCOC1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CN(C[C@@H]1CCOC1)C(=O)Nc1cnn(c1)C[*:1]
CN(C[C@@H]1CCOC1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] CN(C[C@@H]1CCOC1)C(=O)Nc1cnn(c1)[*:1]
CC(C)n1cnnc1[S@](=O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 CC(C)[*:1] C[C@H](NC(=O)[C@@H](C)[S@@](=O)c1nncn1[*:1])c1ccccc1
CC(C)n1cnnc1[S@](=O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)n1cnnc1[S@](=O)[C@H](C)C(=O)N[C@@H](C)[*:1]
C[C@H](NC(=O)CCN1CCCC1=O)c1ccc2c(c1)CCC(=O)N2 O=C1CCCN1[*:1] C[C@H](NC(=O)CC[*:1])c1ccc2NC(=O)CCc2c1
C[C@H](NC(=O)CCN1CCCC1=O)c1ccc2c(c1)CCC(=O)N2 O=C1CCCN1CC[*:1] C[C@H](NC(=O)[*:1])c1ccc2NC(=O)CCc2c1
C[C@H](NC(=O)CCN1CCCC1=O)c1ccc2c(c1)CCC(=O)N2 O=C1CCCN1C[*:1] C[C@H](NC(=O)C[*:1])c1ccc2NC(=O)CCc2c1
Cc1ccc([C@H](C(=O)N2CCC(O)CC2)N(C)C)cc1 CN(C)[*:1] Cc1ccc(cc1)[C@H](C(=O)N1CCC(O)CC1)[*:1]
Cc1cc(F)cc([C@@H]([NH3+])[C@@H]2C[C@@H]2C)c1 C[C@H]1C[C@H]1[*:1] Cc1cc(F)cc(c1)[C@@H]([NH3+])[*:1]
COc1ccccc1Cn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 c1ccc(cc1)[*:1] COc1ccccc1Cn1c(N)c(c2nc3ccccc3nc21)S(=O)(=O)[*:1]
COc1ccccc1Cn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 COc1ccccc1[*:1] Nc1c(c2nc3ccccc3nc2n1C[*:1])S(=O)(=O)c1ccccc1
COc1ccccc1Cn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 COc1ccccc1C[*:1] Nc1c(c2nc3ccccc3nc2n1[*:1])S(=O)(=O)c1ccccc1
COc1ccccc1Cn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 O=S(=O)(c1ccccc1)[*:1] COc1ccccc1Cn1c(N)c(c2nc3ccccc3nc21)[*:1]
CCCN(C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(/C=C/c1ccc(s1)-c1ccccc1Cl)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCN(C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)[C@@H]1CCS(=O)(=O)C1 Clc1ccccc1[*:1] CCCN(C(=O)/C=C/c1ccc(s1)[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(NC(C)=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] COc1ccc(cc1C(=O)N[*:1])S(=O)(=O)N1CCCCC1
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(NC(C)=O)cc1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(cc1C(=O)Nc1ccc(cc1)NC(C)=O)[*:1]
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1C(=O)Nc1ccc(cc1)[*:1])S(=O)(=O)N1CCCCC1
COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1c(F)cccc1F Fc1cccc(F)c1[*:1] COC(=O)C1=C(C)N(C(=S)N[C@H]1[*:1])c1ccc2OCCOc2c1
COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1c(F)cccc1F COC(=O)[*:1] CC1=C([C@H](NC(=S)N1c1ccc2OCCOc2c1)c1c(F)cccc1F)[*:1]
COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1c(F)cccc1F c1cc2OCCOc2cc1[*:1] COC(=O)C1=C(C)N(C(=S)N[C@@H]1c1c(F)cccc1F)[*:1]
CCCc1nc(C(=O)N2C[C@H](C)Cc3ccccc32)n[nH]1 CCC[*:1] C[C@@H]1Cc2ccccc2N(C1)C(=O)c1n[nH]c(n1)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 O=C1CCCN1C[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 Cc1ccc(cc1)[C@H](C)[*:1] CN(C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)N[C@@H](CN1CCCC1=O)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 O=C1CCCN1[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)N[C@@H](C[*:1])c1ccccc1
Cc1ccc([C@H](C)N(C)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)[*:1]
Cc1cc(=O)c(C(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] O=C(N[C@@H]1CCCN(C1)c1nc2ccccc2s1)[*:1]
COc1ccccc1NC(=O)c1ccc(C(N)=O)cc1 NC(=O)[*:1] COc1ccccc1NC(=O)c1ccc(cc1)[*:1]
Cn1ncc2c1CCC[C@H]2CCO OCC[*:1] Cn1ncc2c1CCC[C@@H]2[*:1]
COCCOc1ncccc1NC(=O)N[C@H]1C[C@H]1C COCC[*:1] C[C@@H]1C[C@@H]1NC(=O)Nc1cccnc1O[*:1]
COCCOc1ncccc1NC(=O)N[C@H]1C[C@H]1C COCCO[*:1] C[C@@H]1C[C@@H]1NC(=O)Nc1cccnc1[*:1]
COCCOc1ncccc1NC(=O)N[C@H]1C[C@H]1C COC[*:1] C[C@@H]1C[C@@H]1NC(=O)Nc1cccnc1OC[*:1]
[NH3+][C@H](CCC(=O)[O-])c1[nH+]ccc2[nH]ccc12 O=C([O-])CC[*:1] [NH3+][C@H](c1[nH+]ccc2[nH]ccc12)[*:1]
[NH3+][C@H](CCC(=O)[O-])c1[nH+]ccc2[nH]ccc12 O=C([O-])[*:1] [NH3+][C@H](CC[*:1])c1[nH+]ccc2[nH]ccc12
[NH3+][C@H](CCC(=O)[O-])c1[nH+]ccc2[nH]ccc12 O=C([O-])C[*:1] [NH3+][C@H](C[*:1])c1[nH+]ccc2[nH]ccc12
Cc1cc(C)n2nc(C(=O)NC[C@@H](C)Oc3ccccc3Cl)nc2n1 Clc1ccccc1O[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)NC[C@@H](C)[*:1]
Cc1cc(C)n2nc(C(=O)NC[C@@H](C)Oc3ccccc3Cl)nc2n1 Clc1ccccc1[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)NC[C@@H](C)O[*:1]
CCC(CC)c1cc(CNc2ccc([N+](=O)[O-])cc2C#N)on1 O=[N+]([O-])[*:1] CCC(CC)c1cc(CNc2ccc(cc2C#N)[*:1])on1
CCC(CC)c1cc(CNc2ccc([N+](=O)[O-])cc2C#N)on1 CCC(CC)[*:1] N#Cc1cc(ccc1NCc1cc(no1)[*:1])[N+](=O)[O-]
O=C(Nc1ccnc2ccnn12)c1ccc(-c2ccccc2F)s1 Fc1ccccc1[*:1] O=C(Nc1ccnc2ccnn12)c1ccc(s1)[*:1]
Cc1ccc(CC(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cn1 NC(=O)[*:1] Cc1ccc(cn1)CC(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1]
Cc1ccc(CC(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cn1 Cc1ccc(cn1)C[*:1] NC(=O)c1ccc(cc1)CN1CCN(CC1)C(=O)[*:1]
Cc1ccc(CC(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cn1 Cc1ccc(cn1)[*:1] NC(=O)c1ccc(cc1)CN1CCN(CC1)C(=O)C[*:1]
COc1c(C)cnc(CSc2[nH+]c(C)c(C)n2CC(C)C)c1C CC(C)[*:1] COc1c(C)cnc(CSc2[nH+]c(C)c(C)n2C[*:1])c1C
COc1c(C)cnc(CSc2[nH+]c(C)c(C)n2CC(C)C)c1C CC(C)C[*:1] COc1c(C)cnc(CSc2[nH+]c(C)c(C)n2[*:1])c1C
O=C([O-])C=CC(=O)NNC(=O)CSc1ccc2ccccc2n1 O=C([O-])[*:1] O=C(C=C[*:1])NNC(=O)CSc1ccc2ccccc2n1
CCCNc1cc(C)ccc1C(=O)N(C)C[C@@H](C)CC CC[C@H](C)C[*:1] CCCNc1cc(C)ccc1C(=O)N(C)[*:1]
CCCNc1cc(C)ccc1C(=O)N(C)C[C@@H](C)CC CC[C@H](C)[*:1] CCCNc1cc(C)ccc1C(=O)N(C)C[*:1]
CCCNc1cc(C)ccc1C(=O)N(C)C[C@@H](C)CC CCC[*:1] CC[C@H](C)CN(C)C(=O)c1ccc(C)cc1N[*:1]
CCCNc1cc(C)ccc1C(=O)N(C)C[C@@H](C)CC CCCN[*:1] CC[C@H](C)CN(C)C(=O)c1ccc(C)cc1[*:1]
CCOC(=O)[C@@](C)(NC(=O)Cc1ccc[nH]1)C(C)C CC(C)[*:1] CCOC(=O)[C@@](C)(NC(=O)Cc1ccc[nH]1)[*:1]
CCOC(=O)[C@@](C)(NC(=O)Cc1ccc[nH]1)C(C)C c1c[nH]c(c1)C[*:1] CCOC(=O)[C@@](C)(NC(=O)[*:1])C(C)C
CCOC(=O)[C@@](C)(NC(=O)Cc1ccc[nH]1)C(C)C CCOC(=O)[*:1] CC(C)[C@@](C)(NC(=O)Cc1ccc[nH]1)[*:1]
CCOC(=O)[C@@](C)(NC(=O)Cc1ccc[nH]1)C(C)C c1c[nH]c(c1)[*:1] CCOC(=O)[C@@](C)(NC(=O)C[*:1])C(C)C
CSCCC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 CSC[*:1] Cc1ccc(cc1)[C@H]([NH2+]CC[*:1])C1CC1
CSCCC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 CSCCC[*:1] Cc1ccc(cc1)[C@H]([NH2+][*:1])C1CC1
CSCCC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 CSCC[*:1] Cc1ccc(cc1)[C@H]([NH2+]C[*:1])C1CC1
CSCCC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 C1CC1[*:1] CSCCC[NH2+][C@@H](c1ccc(C)cc1)[*:1]
CC[NH+](CC)C[C@H]1CCN(Cc2csc(-c3ccc(C)cc3)n2)C1 Cc1ccc(cc1)[*:1] CC[NH+](CC)C[C@H]1CCN(Cc2csc(n2)[*:1])C1
Cc1cc(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1c(oc2ccccc12)[C@H](C)NC(=O)N[*:1]
COCc1c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)sc2cccc(F)c12 C1CC1[*:1] COCc1c(sc2cccc(F)c12)C(=O)NC[C@@H]([NH+](C)C)[*:1]
COCc1c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)sc2cccc(F)c12 COC[*:1] C[NH+](C)[C@@H](CNC(=O)c1sc2cccc(F)c2c1[*:1])C1CC1
CC[C@@H](C#N)NC(=O)c1cccc(OC)c1 CC[C@@H](C#N)[*:1] COc1cccc(c1)C(=O)N[*:1]
Cn1c(Cl)cnc1CN1CCc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] Cn1c(Cl)cnc1CN1CCc2cc(ccc21)[*:1]
Cn1c(Cl)cnc1CN1CCc2cc(S(N)(=O)=O)ccc21 Cn1c(Cl)cnc1[*:1] NS(=O)(=O)c1ccc2c(c1)CCN2C[*:1]
CCC[C@@]1(C)CC(=O)NC(=O)[C@@H]1C(C)C CCC[*:1] CC(C)[C@H]1C(=O)NC(=O)C[C@@]1(C)[*:1]
CCC[C@@]1(C)CC(=O)NC(=O)[C@@H]1C(C)C CC(C)[*:1] CCC[C@@]1(C)CC(=O)NC(=O)[C@H]1[*:1]
CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCN(C(=O)c2ccnn2C)CC1 CCOC(=O)[*:1] Cn1nccc1C(=O)N1CCC(CC1)(C[C@@H]1CC(=NO1)c1ccc(F)cc1)[*:1]
CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCN(C(=O)c2ccnn2C)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)C1(CCN(CC1)C(=O)c1ccnn1C)C[C@@H]1CC(=NO1)[*:1]
CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCN(C(=O)c2ccnn2C)CC1 Cn1nccc1[*:1] CCOC(=O)C1(CCN(CC1)C(=O)[*:1])C[C@@H]1CC(=NO1)c1ccc(F)cc1
C[C@@H]1CN(CC(=O)Nc2sccc2C#N)c2ccccc2NC1=O N#Cc1ccsc1[*:1] C[C@@H]1CN(CC(=O)N[*:1])c2ccccc2NC1=O
C[C@@H](CC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 FC(F)(F)C[*:1] C[C@@H]([NH2+]C1CCN(CC1)S(=O)(=O)N1CCOCC1)[*:1]
C[C@@H](CC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 FC(F)(F)[*:1] C[C@@H](C[*:1])[NH2+]C1CCN(CC1)S(=O)(=O)N1CCOCC1
COCC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 COCC[*:1] CC(=O)N[C@H](C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1)[*:1]
COCC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 CC(=O)N[*:1] COCC[C@H](C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1)[*:1]
COCC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 COC[*:1] CC(=O)N[C@@H](C[*:1])C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1
COCC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 Cc1cnn(c1)C[*:1] COCC[C@H](NC(C)=O)C(=O)N1CCCC[C@H]1[*:1]
COCC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 Cc1cnn(c1)[*:1] COCC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1C[*:1]
CN1CC[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1=O CN1CC[C@H](N[*:1])C1=O Cn1ccnc1C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN1CC[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1=O O=[N+]([O-])[*:1] CN1CC[C@H](Nc2ccc(cc2[*:1])C(=O)c2nccn2C)C1=O
CN1CC[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1=O Cn1ccnc1C(=O)[*:1] CN1CC[C@H](Nc2ccc(cc2[N+](=O)[O-])[*:1])C1=O
CN1CC[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1=O Cn1ccnc1[*:1] CN1CC[C@H](Nc2ccc(cc2[N+](=O)[O-])C(=O)[*:1])C1=O
COC(=O)c1c(C2CC2)csc1NC(=O)[C@@H](C)c1cccs1 C[C@@H](c1cccs1)[*:1] COC(=O)c1c(csc1NC(=O)[*:1])C1CC1
COC(=O)c1c(C2CC2)csc1NC(=O)[C@@H](C)c1cccs1 c1csc(c1)[*:1] COC(=O)c1c(csc1NC(=O)[C@@H](C)[*:1])C1CC1
COC(=O)c1c(C2CC2)csc1NC(=O)[C@@H](C)c1cccs1 C1CC1[*:1] COC(=O)c1c(csc1NC(=O)[C@@H](C)c1cccs1)[*:1]
COC(=O)c1c(C2CC2)csc1NC(=O)[C@@H](C)c1cccs1 COC(=O)[*:1] C[C@H](C(=O)Nc1scc(c1[*:1])C1CC1)c1cccs1
C[C@](O)(Cc1ccccc1)[C@H]1CCOC2(CCOCC2)C1 c1ccc(cc1)C[*:1] C[C@](O)([C@H]1CCOC2(CCOCC2)C1)[*:1]
C[C@](O)(Cc1ccccc1)[C@H]1CCOC2(CCOCC2)C1 c1ccc(cc1)[*:1] C[C@](O)(C[*:1])[C@H]1CCOC2(CCOCC2)C1
CC[C@H](COC)NC(=O)COc1ccc(Cl)cc1 COC[*:1] CC[C@H](NC(=O)COc1ccc(Cl)cc1)[*:1]
CC[C@H](COC)NC(=O)COc1ccc(Cl)cc1 CC[C@H](COC)[*:1] O=C(COc1ccc(Cl)cc1)N[*:1]
CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+][C@@H](C)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+][C@@H](C)[*:1]
Cc1noc(C2CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC2)n1 Cc1noc(n1)[*:1] C[C@H](CC[NH+](C)C)NC(=O)N1CCC(CC1)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)c2ccccc2)ccc1N1CCCCC1 O=[N+]([O-])[*:1] O=S(=O)(c1ccccc1)c1ccc(c(c1)[*:1])N1CCCCC1
O=[N+]([O-])c1cc(S(=O)(=O)c2ccccc2)ccc1N1CCCCC1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1N1CCCCC1)S(=O)(=O)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)c2ccccc2)ccc1N1CCCCC1 C1CCN(CC1)[*:1] O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)c1ccccc1
O=C([C@@H]1CC(Cc2ccccc2)=NO1)N1CCC(Oc2ccccc2F)CC1 c1ccc(cc1)C[*:1] O=C([C@@H]1CC(=NO1)[*:1])N1CCC(CC1)Oc1ccccc1F
O=C([C@@H]1CC(Cc2ccccc2)=NO1)N1CCC(Oc2ccccc2F)CC1 Fc1ccccc1O[*:1] O=C([C@@H]1CC(Cc2ccccc2)=NO1)N1CCC(CC1)[*:1]
O=C([C@@H]1CC(Cc2ccccc2)=NO1)N1CCC(Oc2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1CC(C[*:1])=NO1)N1CCC(CC1)Oc1ccccc1F
O=C([C@@H]1CC(Cc2ccccc2)=NO1)N1CCC(Oc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C([C@@H]1CC(Cc2ccccc2)=NO1)N1CCC(CC1)O[*:1]
CCC[C@H](C)N(C)c1cc(C)c(F)cc1[C@H](C)[NH3+] CCC[*:1] Cc1cc(c(cc1F)[C@H](C)[NH3+])N(C)[C@@H](C)[*:1]
CCC[C@H](C)N(C)c1cc(C)c(F)cc1[C@H](C)[NH3+] CCC[C@H](C)[*:1] Cc1cc(c(cc1F)[C@H](C)[NH3+])N(C)[*:1]
C=CCN(C)S(=O)(=O)c1ccc(NCc2ccccc2F)cc1 C=CC[*:1] CN(S(=O)(=O)c1ccc(cc1)NCc1ccccc1F)[*:1]
C=CCN(C)S(=O)(=O)c1ccc(NCc2ccccc2F)cc1 Fc1ccccc1[*:1] C=CCN(C)S(=O)(=O)c1ccc(cc1)NC[*:1]
Cc1ncccc1NC(=O)N1CC[C@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ncccc1NC(=O)N1CC[C@@H](C1)C[*:1]
Cc1ncccc1NC(=O)N1CC[C@H](Cc2ccccc2)C1 Cc1ncccc1[*:1] O=C(N[*:1])N1CC[C@H](Cc2ccccc2)C1
Cc1ncccc1NC(=O)N1CC[C@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] Cc1ncccc1NC(=O)N1CC[C@H](C1)[*:1]
C[C@H]1CCCN(C(=O)C2CCN(C(=O)NCCCC3CCCC3)CC2)C1 C1CCC(C1)CC[*:1] C[C@H]1CCCN(C1)C(=O)C1CCN(CC1)C(=O)NC[*:1]
C[C@H]1CCCN(C(=O)C2CCN(C(=O)NCCCC3CCCC3)CC2)C1 C1CCC(C1)C[*:1] C[C@H]1CCCN(C1)C(=O)C1CCN(CC1)C(=O)NCC[*:1]
C[C@H]1CCCN(C(=O)C2CCN(C(=O)NCCCC3CCCC3)CC2)C1 C1CCC(C1)[*:1] C[C@H]1CCCN(C1)C(=O)C1CCN(CC1)C(=O)NCCC[*:1]
C[C@H]1CCCN(C(=O)C2CCN(C(=O)NCCCC3CCCC3)CC2)C1 C1CCC(C1)CCC[*:1] C[C@H]1CCCN(C1)C(=O)C1CCN(CC1)C(=O)N[*:1]
COc1ccc2c(c1)[C@]1(Nc3ccccc3C(=O)N1CCc1ccccc1)C(=O)N2 c1ccc(cc1)[*:1] COc1ccc2NC(=O)[C@@]3(Nc4ccccc4C(=O)N3CC[*:1])c2c1
COc1ccc2c(c1)[C@]1(Nc3ccccc3C(=O)N1CCc1ccccc1)C(=O)N2 c1ccc(cc1)CC[*:1] COc1ccc2NC(=O)[C@@]3(Nc4ccccc4C(=O)N3[*:1])c2c1
COc1ccc2c(c1)[C@]1(Nc3ccccc3C(=O)N1CCc1ccccc1)C(=O)N2 c1ccc(cc1)C[*:1] COc1ccc2NC(=O)[C@@]3(Nc4ccccc4C(=O)N3C[*:1])c2c1
O=C(Cn1nnc2ccccc21)NC1(c2ccc(Br)cc2)CCCC1 Brc1ccc(cc1)[*:1] O=C(Cn1nnc2ccccc21)NC1(CCCC1)[*:1]
Cc1cccc(CNC(=O)C2CCN([C@@H]3[NH+]=c4ccc(Br)cc4=[NH+]3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])C1CCN(CC1)[C@@H]1[NH+]=c2ccc(Br)cc2=[NH+]1
Cc1cccc(CNC(=O)C2CCN([C@@H]3[NH+]=c4ccc(Br)cc4=[NH+]3)CC2)c1 Cc1cccc(c1)C[*:1] O=C(N[*:1])C1CCN(CC1)[C@@H]1[NH+]=c2ccc(Br)cc2=[NH+]1
C[C@@H](CC#N)N(C)C(=O)c1occc1Br C[C@@H](CC#N)[*:1] CN(C(=O)c1occc1Br)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1occc1Br N#CC[*:1] C[C@@H](N(C)C(=O)c1occc1Br)[*:1]
CCn1cc(S(=O)(=O)NCc2[nH+]cc(C)c(OC)c2C)cn1 CCn1cc(cn1)[*:1] COc1c(C)c[nH+]c(CNS(=O)(=O)[*:1])c1C
C[C@@H](N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1cc(F)ccc1F c1csc(c1)[*:1] C[C@@H](N[C@H](c1ccc(F)cc1)[*:1])C(=O)Nc1cc(F)ccc1F
C[C@@H](N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1cc(F)ccc1F Fc1ccc(cc1)[*:1] C[C@@H](N[C@H](c1cccs1)[*:1])C(=O)Nc1cc(F)ccc1F
C[C@@H](N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] C[C@@H](N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)N[*:1]
CCOCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H](O)C1 CCOC[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)C(=O)Nc1ccccc1[*:1]
CCOCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H](O)C1 CCO[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)C(=O)Nc1ccccc1C[*:1]
CS(=O)(=O)CCN1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 CS(=O)(=O)C[*:1] Clc1cc(cc2OCCOc12)C[NH2+]C1CCN(CC1)C[*:1]
CS(=O)(=O)CCN1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 CS(=O)(=O)CC[*:1] Clc1cc(cc2OCCOc12)C[NH2+]C1CCN(CC1)[*:1]
CS(=O)(=O)CCN1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 CS(=O)(=O)[*:1] Clc1cc(cc2OCCOc12)C[NH2+]C1CCN(CC1)CC[*:1]
C[C@@H](O)CN(C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H](O)CN(C)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
C[C@@H](O)CN(C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 C[C@@H](O)C[*:1] CN(C(=O)N[C@@H]1CCC[C@@H](C1)C(F)(F)F)[*:1]
C[C@@H](O)CN(C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 C[C@@H](O)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)C(F)(F)F
Cc1ccc([N+](=O)[O-])c(OCc2ncccc2C)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)OCc1ncccc1C)[*:1]
Cc1ccn(-c2ccc(N(C)Cc3ccc(F)cc3Cl)nn2)n1 Cc1ccn(n1)[*:1] CN(Cc1ccc(F)cc1Cl)c1ccc(nn1)[*:1]
C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC2(C)C)c2ccccc21 CC1(C)CCC[C@@H]1[*:1] C[C@H]1CN(C(=O)C(=O)N[*:1])c2ccccc21
COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1OC)NS(=O)(=O)c1ccc(OC)c(c1)[*:1]
CC(C)c1ccc(Sc2ccc(NC(=O)NCCC(N)=O)cc2)cc1 NC(=O)C[*:1] CC(C)c1ccc(cc1)Sc1ccc(cc1)NC(=O)NC[*:1]
CC(C)c1ccc(Sc2ccc(NC(=O)NCCC(N)=O)cc2)cc1 CC(C)[*:1] NC(=O)CCNC(=O)Nc1ccc(cc1)Sc1ccc(cc1)[*:1]
CC(C)c1ccc(Sc2ccc(NC(=O)NCCC(N)=O)cc2)cc1 NC(=O)CC[*:1] CC(C)c1ccc(cc1)Sc1ccc(cc1)NC(=O)N[*:1]
CC(C)c1ccc(Sc2ccc(NC(=O)NCCC(N)=O)cc2)cc1 NC(=O)[*:1] CC(C)c1ccc(cc1)Sc1ccc(cc1)NC(=O)NCC[*:1]
CC(C)[C@H](CN(C)C)[NH2+][C@@H]1CC[C@H]([NH3+])C1 CN(C)[*:1] CC(C)[C@H](C[*:1])[NH2+][C@@H]1CC[C@H]([NH3+])C1
CC(C)[C@H](CN(C)C)[NH2+][C@@H]1CC[C@H]([NH3+])C1 CN(C)C[*:1] CC(C)[C@H]([NH2+][C@@H]1CC[C@H]([NH3+])C1)[*:1]
CC(C)[C@H](CN(C)C)[NH2+][C@@H]1CC[C@H]([NH3+])C1 CC(C)[*:1] CN(C)C[C@H]([NH2+][C@@H]1CC[C@H]([NH3+])C1)[*:1]
COc1ccc(CN2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)CC2)cc1 COc1ccc(cc1)C[*:1] Cc1cc(c(C)cc1Cl)S(=O)(=O)N1CCN(CC1)[*:1]
COc1ccc(CN2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(c(C)cc1Cl)S(=O)(=O)N1CCN(CC1)C[*:1]
COc1ccc(CN2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)CC2)cc1 Cc1cc(c(C)cc1Cl)[*:1] COc1ccc(cc1)CN1CCN(CC1)S(=O)(=O)[*:1]
CC(C)[C@H](C)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)[C@H](C)NC(=O)CSc1ccc(cc1[*:1])C(F)(F)F
CC(C)[C@H](C)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] CC(C)[C@H](C)NC(=O)CSc1ccc(cc1[N+](=O)[O-])[*:1]
CC(C)[C@H](C)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] CC(C)[*:1] C[C@H](NC(=O)CSc1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
CC(C)[C@H](C)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] CC(C)[C@H](C)[*:1] O=C(CSc1ccc(cc1[N+](=O)[O-])C(F)(F)F)N[*:1]
O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(Cc2ccsc2)CC1 c1ccc(cc1)[*:1] O=C(c1nn(c(=O)c2ccccc12)[*:1])N1CCN(CC1)Cc1ccsc1
O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)C[*:1] O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(CC1)[*:1]
O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)[*:1] O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(CC1)C[*:1]
CC(=O)Nc1ccccc1NC(=O)/C=C(\C)NNC(=O)c1ccco1 c1coc(c1)[*:1] CC(=O)Nc1ccccc1NC(=O)/C=C(\C)NNC(=O)[*:1]
CC(=O)Nc1ccccc1NC(=O)/C=C(\C)NNC(=O)c1ccco1 CC(=O)N[*:1] C/C(=C\C(=O)Nc1ccccc1[*:1])NNC(=O)c1ccco1
COc1ccc(Nc2nc(C(=O)Nc3ccc(Cl)cc3)cs2)c(OC)c1 Clc1ccc(cc1)[*:1] COc1ccc(Nc2nc(cs2)C(=O)N[*:1])c(c1)OC
Cc1cccc(C(=O)NCC(C)(C)N2CCS(=O)CC2)c1 Cc1cccc(c1)[*:1] CC(C)(CNC(=O)[*:1])N1CCS(=O)CC1
N#Cc1cc(NC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccccc3)CC2)ccc1F c1ccc(cc1)[*:1] N#Cc1cc(ccc1F)NC(=O)C1CCN(CC1)c1nc2ccsc2c(=O)n1C[*:1]
N#Cc1cc(NC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccccc3)CC2)ccc1F c1ccc(cc1)C[*:1] N#Cc1cc(ccc1F)NC(=O)C1CCN(CC1)c1nc2ccsc2c(=O)n1[*:1]
N#Cc1cc(NC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccccc3)CC2)ccc1F N#Cc1cc(ccc1F)[*:1] O=C(N[*:1])C1CCN(CC1)c1nc2ccsc2c(=O)n1Cc1ccccc1
Cc1occc1CN(C)Cc1cnc(N2CC[NH+](C)CC2)nc1 Cc1occc1[*:1] CN(Cc1cnc(nc1)N1CC[NH+](C)CC1)C[*:1]
Cc1occc1CN(C)Cc1cnc(N2CC[NH+](C)CC2)nc1 Cc1occc1C[*:1] CN(Cc1cnc(nc1)N1CC[NH+](C)CC1)[*:1]
COc1ccc(CCNC(=O)C2(c3cccc(F)c3)CCCC2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)CCNC(=O)C1(CCCC1)[*:1]
COc1ccc(CCNC(=O)C2(c3cccc(F)c3)CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])C1(CCCC1)c1cccc(F)c1
CC[C@@H](Sc1cccc(N)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](Sc1cccc(N)c1)[*:1]
COCCC(=O)NC(C)(C)c1ccccc1OC COC[*:1] COc1ccccc1C(C)(C)NC(=O)C[*:1]
COCCC(=O)NC(C)(C)c1ccccc1OC COCC[*:1] COc1ccccc1C(C)(C)NC(=O)[*:1]
O=C(C1CCCC1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 C1CCC(C1)[*:1] O=C1Nc2ccccc2[C@]12CCN(C2)C(=O)[*:1]
C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 Fc1cc(Cl)ccc1[*:1] C[C@H]1CCCCN1C(=O)CN1CCN(CC1)C(=O)[*:1]
CC1(C)[C@@H](NC(=O)CCc2ccco2)[C@H]2CCO[C@@H]21 c1coc(c1)[*:1] CC1(C)[C@@H](NC(=O)CC[*:1])[C@H]2CCO[C@@H]21
CC1(C)[C@@H](NC(=O)CCc2ccco2)[C@H]2CCO[C@@H]21 c1coc(c1)C[*:1] CC1(C)[C@@H](NC(=O)C[*:1])[C@H]2CCO[C@@H]21
COCCCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 COC[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)CC[*:1]
COCCCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 COCCC[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)[*:1]
COCCCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 COCC[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)C[*:1]
CC1=C([C@@H](NS(=O)(=O)c2ccc(Cl)s2)C(=O)[O-])[C@@H](C)N=N1 Clc1ccc(s1)[*:1] CC1N=N[C@H](C)C=1[C@@H](NS(=O)(=O)[*:1])C(=O)[O-]
CC1=C([C@@H](NS(=O)(=O)c2ccc(Cl)s2)C(=O)[O-])[C@@H](C)N=N1 O=C([O-])[*:1] CC1N=N[C@H](C)C=1[C@@H](NS(=O)(=O)c1ccc(Cl)s1)[*:1]
CCN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N(C)C1=S O=[N+]([O-])c1ccc(cc1)[*:1] CCN1C(=O)/C(=C/c2ccc(OC[*:1])c(Cl)c2)N(C)C1=S
CCN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N(C)C1=S O=[N+]([O-])[*:1] CCN1C(=O)/C(=C/c2ccc(OCc3ccc(cc3)[*:1])c(Cl)c2)N(C)C1=S
COCc1cc(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)no1 COCc1cc(no1)[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)[*:1])C[C@H](C)O1
COCc1cc(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)no1 COC[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)c2cc(on2)[*:1])C[C@H](C)O1
CC[NH2+][C@@H]([C@@H]1CCc2cccnc21)[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] CC[NH2+][C@@H]([C@@H]1CCc2cccnc21)[*:1]
O=C1[C@H](NS(=O)(=O)CC2CCC2)CCN1c1cccc(Cl)c1 C1CC(C1)C[*:1] O=C1[C@@H](CCN1c1cccc(Cl)c1)NS(=O)(=O)[*:1]
O=C1[C@H](NS(=O)(=O)CC2CCC2)CCN1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1[C@@H](CCN1[*:1])NS(=O)(=O)CC1CCC1
O=C1[C@H](NS(=O)(=O)CC2CCC2)CCN1c1cccc(Cl)c1 C1CC(C1)[*:1] O=C1[C@@H](CCN1c1cccc(Cl)c1)NS(=O)(=O)C[*:1]
CCOC(=O)COc1cccc(NC(C)C)c1 CC(C)[*:1] CCOC(=O)COc1cccc(c1)N[*:1]
CCOC(=O)COc1cccc(NC(C)C)c1 CCOC(=O)[*:1] CC(C)Nc1cccc(c1)OC[*:1]
CCOC(=O)COc1cccc(NC(C)C)c1 CC(C)N[*:1] CCOC(=O)COc1cccc(c1)[*:1]
C[C@H]1C[C@@H](Nc2cccc(Cn3cccn3)c2)CS1 c1cnn(c1)[*:1] C[C@H]1C[C@H](CS1)Nc1cccc(c1)C[*:1]
C[C@H]1C[C@@H](Nc2cccc(Cn3cccn3)c2)CS1 c1cnn(c1)C[*:1] C[C@H]1C[C@H](CS1)Nc1cccc(c1)[*:1]
COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)S(=O)(=O)/C(C#N)=C/N[*:1]
Cn1cc(-c2nc(C(=O)NCC3(c4cccc(F)c4)CCCCC3)cs2)cn1 Fc1cccc(c1)[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)NCC1(CCCCC1)[*:1]
Cn1cc(-c2nc(C(=O)NCC3(c4cccc(F)c4)CCCCC3)cs2)cn1 Cn1cc(cn1)[*:1] O=C(NCC1(CCCCC1)c1cccc(F)c1)c1csc(n1)[*:1]
COc1cc(OC)cc(-n2nnc(-c3nc(-c4cccnc4)no3)c2N)c1 c1cncc(c1)[*:1] COc1cc(cc(c1)-n1nnc(-c2nc(no2)[*:1])c1N)OC
COc1ccccc1C(=O)OCC(=O)NCC(F)(F)F FC(F)(F)[*:1] COc1ccccc1C(=O)OCC(=O)NC[*:1]
COc1ccccc1C(=O)OCC(=O)NCC(F)(F)F FC(F)(F)C[*:1] COc1ccccc1C(=O)OCC(=O)N[*:1]
O=C(NC1CCCCC1)c1cccnc1Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(NC1CCCCC1)c1cccnc1N[*:1]
O=C(NC1CCCCC1)c1cccnc1Nc1cccc(Br)c1 C1CCC(CC1)[*:1] O=C(N[*:1])c1cccnc1Nc1cccc(Br)c1
CN(C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-])C1CC1 O=C([O-])[*:1] CN(C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1[*:1])C1CC1
CN(C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-])C1CC1 C1CC1[*:1] CN(C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-])[*:1]
CC1CCN(C(=O)COc2cccc(-n3cnnn3)c2)CC1 c1nnnn1[*:1] CC1CCN(CC1)C(=O)COc1cccc(c1)[*:1]
CNc1cncc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1 c1n[nH]cc1[*:1] CNc1cncc(n1)[C@@H]1CCCN1S(=O)(=O)[*:1]
CC1(C)[C@@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1 O=C([O-])[*:1] CC1(C)[C@@H]([C@H]1C(=O)Nc1ccc(cc1)NC(=O)C[NH+]1CCCCC1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)C(=O)N[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2F)C1 CC(=O)NC[*:1] O=C(Nc1ccc(F)cc1F)C(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2F)C1 CC(=O)N[*:1] O=C(Nc1ccc(F)cc1F)C(=O)N1CCC[C@@H](C1)C[*:1]
Cc1cc[nH+]c(NC[C@H](O)COc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc[nH+]c(c1)NC[C@H](O)CO[*:1]
CC(C)N1C[C@@H](C(=O)OCc2nccn2Cc2ccccc2)CC1=O c1ccc(cc1)[*:1] CC(C)N1C[C@H](CC1=O)C(=O)OCc1nccn1C[*:1]
CC(C)N1C[C@@H](C(=O)OCc2nccn2Cc2ccccc2)CC1=O c1ccc(cc1)C[*:1] CC(C)N1C[C@H](CC1=O)C(=O)OCc1nccn1[*:1]
CC(C)N1C[C@@H](C(=O)OCc2nccn2Cc2ccccc2)CC1=O CC(C)[*:1] O=C(OCc1nccn1Cc1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
CCOC(=O)c1ccc2c(c1)CCCN2C(=O)CC1CCC(OC)CC1 CCOC(=O)[*:1] COC1CCC(CC1)CC(=O)N1CCCc2cc(ccc21)[*:1]
CCOC(=O)c1ccc2c(c1)CCCN2C(=O)CC1CCC(OC)CC1 COC1CCC(CC1)[*:1] CCOC(=O)c1ccc2c(c1)CCCN2C(=O)C[*:1]
O=C(NC[C@H](O)CN1CCOCC1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(NC[C@H](O)CN1CCOCC1)c1nc(n2ccccc12)[*:1]
O=C(NC[C@H](O)CN1CCOCC1)c1nc(C2CC2)n2ccccc12 C1CN(CCO1)[*:1] O=C(NC[C@H](O)C[*:1])c1nc(C2CC2)n2ccccc12
O=C(NC[C@H](O)CN1CCOCC1)c1nc(C2CC2)n2ccccc12 C1CN(CCO1)C[*:1] O=C(NC[C@H](O)[*:1])c1nc(C2CC2)n2ccccc12
CCc1cnc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)o1 CCc1cnc(C[*:1])o1 Fc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)[*:1]
CCc1cnc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)o1 Fc1cccc(c1)[*:1] CCc1cnc(CN2CCC[C@@H](C2)c2nc(no2)[*:1])o1
CCc1cnc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)o1 CCc1cnc(o1)[*:1] Fc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C[*:1]
Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)cc(C)[nH+]1 c1cncc(c1)C[*:1] Cc1cc(cc(C)[nH+]1)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)cc(C)[nH+]1 c1cncc(c1)[*:1] Cc1cc(cc(C)[nH+]1)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)cc(C)[nH+]1 Cc1cc(cc(C)[nH+]1)[*:1] c1cncc(c1)Cn1cc[nH+]c1[C@H]1CCCN(C1)[*:1]
C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1cccc(F)c1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H](Sc1nnc(C[*:1])n1C)c1cccc(F)c1
C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)[*:1]
C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1cccc(F)c1 O=S1(=O)CC[C@H](C1)C[*:1] C[C@H](Sc1nnc(n1C)[*:1])c1cccc(F)c1
N#CCC(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#CCC(=O)NNC(=O)Nc1cccc(c1)[*:1]
N#CCC(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 N#CC[*:1] O=C(NNC(=O)[*:1])Nc1cccc(c1)[N+](=O)[O-]
N#CCCCOc1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 N#CCC[*:1] O=C(Nc1cccc(c1)OC[*:1])c1ccc(cc1)N1CCCCC1
N#CCCCOc1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 N#CCCCO[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)N1CCCCC1
N#CCCCOc1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 N#CCCC[*:1] O=C(Nc1cccc(c1)O[*:1])c1ccc(cc1)N1CCCCC1
N#CCCCOc1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 N#CC[*:1] O=C(Nc1cccc(c1)OCC[*:1])c1ccc(cc1)N1CCCCC1
N#CCCCOc1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 C1CCN(CC1)[*:1] N#CCCCOc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)ccc21 c1ccc(cc1)[*:1] CN1C(=O)C(C)(C)c2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)NCC[*:1]
CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)ccc21 c1ccc(cc1)C[*:1] CN1C(=O)C(C)(C)c2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)ccc21 O=C(NCCc1ccccc1)[*:1] CN1C(=O)C(C)(C)c2cc(ccc21)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4ccccc4)C3)ccc21 c1ccc(cc1)CC[*:1] CN1C(=O)C(C)(C)c2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC1(COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)COC1 C1CC1[*:1] CC1(COC1)COC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC1(COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)COC1 CC1(COC1)[*:1] O=C(OC[*:1])[C@H]1CCCN(C1)C(=O)C1CC1
CC1(COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)COC1 CC1(COC1)C[*:1] O=C(O[*:1])[C@H]1CCCN(C1)C(=O)C1CC1
O=C1CN(C(=O)CN(CCO)c2ccccc2)c2ccccc2N1 OCC[*:1] O=C1CN(C(=O)CN(c2ccccc2)[*:1])c2ccccc2N1
O=C1CN(C(=O)CN(CCO)c2ccccc2)c2ccccc2N1 c1ccc(cc1)[*:1] O=C1CN(C(=O)CN(CCO)[*:1])c2ccccc2N1
COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1C(C)C COC(=O)[*:1] CC(C)c1ccccc1-n1c(nc2ccccc2c1=O)S[C@H](C)[*:1]
COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1C(C)C CC(C)c1ccccc1[*:1] COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1[*:1]
COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1C(C)C CC(C)[*:1] COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1[*:1]
CC[C@@H](C(=O)NNC(=O)CC(C)C)c1ccccc1 CC(C)C[*:1] CC[C@@H](C(=O)NNC(=O)[*:1])c1ccccc1
CC[C@@H](C(=O)NNC(=O)CC(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)NNC(=O)CC(C)C)[*:1]
CC[C@@H](C(=O)NNC(=O)CC(C)C)c1ccccc1 CC(C)[*:1] CC[C@@H](C(=O)NNC(=O)C[*:1])c1ccccc1
CCOc1cccc([C@@H](O)[C@@H]2CC[C@H](CC)C2)c1 CCO[*:1] CC[C@H]1CC[C@H](C1)[C@H](O)c1cccc(c1)[*:1]
CC[C@H](CSC)N(C)Cc1nnc(C)n1CC CSC[*:1] CC[C@H](N(C)Cc1nnc(C)n1CC)[*:1]
CCOC(=O)N1CCC(OCCC[NH3+])CC1 [NH3+]CC[*:1] CCOC(=O)N1CCC(CC1)OC[*:1]
CCOC(=O)N1CCC(OCCC[NH3+])CC1 [NH3+]CCC[*:1] CCOC(=O)N1CCC(CC1)O[*:1]
CCOC(=O)N1CCC(OCCC[NH3+])CC1 [NH3+]CCCO[*:1] CCOC(=O)N1CCC(CC1)[*:1]
Cc1nc2cc(N)ccc2n1[C@H](C)CCCO OCCC[*:1] Cc1nc2cc(N)ccc2n1[C@H](C)[*:1]
Cc1nc2cc(N)ccc2n1[C@H](C)CCCO OCC[*:1] Cc1nc2cc(N)ccc2n1[C@H](C)C[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1=O COCCC[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1=O COC[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1ccc2C(=O)N(CC[*:1])C(=O)c2c1
COCCCN1C(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1=O O=[N+]([O-])c1cccc(c1)[*:1] COCCCN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1=O COCC[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1ccc2C(=O)N(C[*:1])C(=O)c2c1
COCCCN1C(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1=O O=[N+]([O-])[*:1] COCCCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1cccc(c1)[*:1]
C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CNC(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CNC(=O)[*:1]
CC1(C)C[C@H]([NH2+]CCc2n[nH]c(-c3ccco3)n2)c2ccc(F)cc2O1 c1coc(c1)[*:1] CC1(C)C[C@H]([NH2+]CCc2n[nH]c(n2)[*:1])c2ccc(F)cc2O1
CC(C)[C@@H](OC(=O)c1ccncc1)C(=O)NC(N)=O CC(C)[*:1] NC(=O)NC(=O)[C@H](OC(=O)c1ccncc1)[*:1]
CC(C)[C@@H](OC(=O)c1ccncc1)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] CC(C)[C@@H](OC(=O)c1ccncc1)[*:1]
CC(C)[C@@H](OC(=O)c1ccncc1)C(=O)NC(N)=O c1cc(ccn1)[*:1] CC(C)[C@@H](OC(=O)[*:1])C(=O)NC(N)=O
CN(CCS(C)(=O)=O)C[C@@H]1CC[C@H](C[NH3+])O1 CS(=O)(=O)C[*:1] CN(C[C@@H]1CC[C@H](C[NH3+])O1)C[*:1]
CN(CCS(C)(=O)=O)C[C@@H]1CC[C@H](C[NH3+])O1 CS(=O)(=O)[*:1] CN(CC[*:1])C[C@@H]1CC[C@H](C[NH3+])O1
Cc1nc(COc2ccccc2C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)cs1 CC1CCN(CC1)C(=O)[*:1] Cc1nc(cs1)COc1ccccc1C(=O)O[C@H](C)[*:1]
Cc1nc(COc2ccccc2C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)cs1 Cc1nc(cs1)CO[*:1] CC1CCN(CC1)C(=O)[C@@H](C)OC(=O)c1ccccc1[*:1]
Cc1nc(COc2ccccc2C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)cs1 Cc1nc(cs1)[*:1] CC1CCN(CC1)C(=O)[C@@H](C)OC(=O)c1ccccc1OC[*:1]
Cc1nc(COc2ccccc2C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)cs1 Cc1nc(cs1)C[*:1] CC1CCN(CC1)C(=O)[C@@H](C)OC(=O)c1ccccc1O[*:1]
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(CC(=O)N(C)C)cc2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](Nc1ccc(cc1)CC(=O)N(C)C)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(CC(=O)N(C)C)cc2)cc1C CN(C)C(=O)[*:1] Cc1ccc(cc1C)NC(=O)[C@H](C)Nc1ccc(cc1)C[*:1]
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(CC(=O)N(C)C)cc2)cc1C CN(C)C(=O)C[*:1] Cc1ccc(cc1C)NC(=O)[C@H](C)Nc1ccc(cc1)[*:1]
C[C@](O)(CNC(=O)c1nccnc1N)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNC(=O)c1nccnc1N)[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccc(cc1)C[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccc(cc1)[*:1]
C[C@H](SCCS(C)(=O)=O)c1nc(Cc2ccc(F)cc2)no1 CS(=O)(=O)C[*:1] C[C@H](SC[*:1])c1nc(Cc2ccc(F)cc2)no1
C[C@H](SCCS(C)(=O)=O)c1nc(Cc2ccc(F)cc2)no1 CS(=O)(=O)CCS[*:1] C[C@H](c1nc(Cc2ccc(F)cc2)no1)[*:1]
C[C@H](SCCS(C)(=O)=O)c1nc(Cc2ccc(F)cc2)no1 CS(=O)(=O)CC[*:1] C[C@H](S[*:1])c1nc(Cc2ccc(F)cc2)no1
C[C@H](SCCS(C)(=O)=O)c1nc(Cc2ccc(F)cc2)no1 CS(=O)(=O)[*:1] C[C@H](SCC[*:1])c1nc(Cc2ccc(F)cc2)no1
C[C@H](SCCS(C)(=O)=O)c1nc(Cc2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] C[C@H](SCCS(C)(=O)=O)c1nc(C[*:1])no1
CCc1cc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)[nH]n1 CCc1cc([nH]n1)[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)[*:1]
CCc1cc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)[nH]n1 FC(F)O[*:1] CCc1cc([nH]n1)C(=O)NC[C@H](O)c1cccc(c1)[*:1]
CCc1cc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)[nH]n1 FC(F)[*:1] CCc1cc([nH]n1)C(=O)NC[C@H](O)c1cccc(c1)O[*:1]
CCn1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCOC(C)(C)C2)c(C)n1 CCn1cc(c(C)n1)[*:1] CC1(C)C[C@@H](CCO1)N(Cc1ccccc1)S(=O)(=O)[*:1]
CCn1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCOC(C)(C)C2)c(C)n1 c1ccc(cc1)[*:1] CCn1cc(c(C)n1)S(=O)(=O)N(C[*:1])[C@@H]1CCOC(C)(C)C1
CCn1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCOC(C)(C)C2)c(C)n1 c1ccc(cc1)C[*:1] CCn1cc(c(C)n1)S(=O)(=O)N([C@@H]1CCOC(C)(C)C1)[*:1]
Nc1c(Nc2cccc(Cl)c2)ncnc1N1CCCCCC1 Clc1cccc(c1)[*:1] Nc1c(ncnc1N1CCCCCC1)N[*:1]
Nc1c(Nc2cccc(Cl)c2)ncnc1N1CCCCCC1 C1CCCN(CC1)[*:1] Nc1c(ncnc1[*:1])Nc1cccc(Cl)c1
C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H]([NH2+]CCn1cc(cn1)[N+](=O)[O-])[*:1]
C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccn1 O=[N+]([O-])[*:1] C[C@H]([NH2+]CCn1cc(cn1)[*:1])c1ccccn1
CCC[NH+](C)Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S CCC[*:1] CC(=O)Nc1cccc(c1)-n1cnn(C[NH+](C)[*:1])c1=S
CCC[NH+](C)Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S CC(=O)N[*:1] CCC[NH+](C)Cn1ncn(-c2cccc(c2)[*:1])c1=S
CSc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2CCCn2cc[nH+]c2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)[C@@H]1c2c(n[nH]c2[*:1])C(=O)N1CCCn1cc[nH+]c1
CSc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2CCCn2cc[nH+]c2)cc1 CSc1ccc(cc1)[*:1] O=C1c2n[nH]c(-c3ccccc3)c2[C@H](N1CCCn1cc[nH+]c1)[*:1]
Cc1ccc(CC(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(N1CCN(CC1)c1ncnc2[nH]cnc12)[*:1]
Cc1ccc(CC(=O)N2CCN(c3ncnc4[nH]cnc34)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])N1CCN(CC1)c1ncnc2[nH]cnc12
Cc1cccc(NC(=O)CN2C(=O)[C@@H]3CCCN3c3ncc(Cl)cc32)c1C Cc1cccc(c1C)[*:1] O=C(CN1C(=O)[C@@H]2CCCN2c2ncc(Cl)cc21)N[*:1]
CCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCO2 CCC[*:1] O=C(CNS(=O)(=O)c1ccc2OCCc2c1)N[*:1]
CCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)CCO2 CCCNC(=O)[*:1] O=S(=O)(NC[*:1])c1ccc2OCCc2c1
Cc1ccc([C@H](C)OC(=O)CNC(=O)CC(C)(C)C)cc1 Cc1ccc(cc1)[*:1] C[C@H](OC(=O)CNC(=O)CC(C)(C)C)[*:1]
Cc1ccc([C@H](C)OC(=O)CNC(=O)CC(C)(C)C)cc1 CC(C)(C)C[*:1] Cc1ccc(cc1)[C@H](C)OC(=O)CNC(=O)[*:1]
Cc1ccc([C@H](C)OC(=O)CNC(=O)CC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)[C@H](C)OC(=O)CNC(=O)C[*:1]
CCOc1ccc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2
O=C1CCCC(=O)N1c1ccc(NCc2nc3c(s2)CCC3)cc1 C1Cc2nc(sc2C1)[*:1] O=C1CCCC(=O)N1c1ccc(cc1)NC[*:1]
O=C1CCCC(=O)N1c1ccc(NCc2nc3c(s2)CCC3)cc1 O=C1CCCC(=O)N1[*:1] c1cc(ccc1NCc1nc2CCCc2s1)[*:1]
CC(C)[C@@H](CNc1ncc(C(N)=O)cc1Cl)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNc1ncc(cc1Cl)C(N)=O)[*:1]
CC(C)[C@@H](CNc1ncc(C(N)=O)cc1Cl)N1CC[NH+](C)CC1 NC(=O)[*:1] CC(C)[C@@H](CNc1ncc(cc1Cl)[*:1])N1CC[NH+](C)CC1
CCSc1ccc(C(=O)Oc2ccc3ccc(=O)oc3c2)cn1 CCS[*:1] O=C(Oc1ccc2ccc(=O)oc2c1)c1ccc(nc1)[*:1]
CC(C)[NH+](Cc1cccnc1)Cc1nc2ccc(F)cc2o1 CC(C)[*:1] Fc1ccc2nc(C[NH+](Cc3cccnc3)[*:1])oc2c1
CC(C)[NH+](Cc1cccnc1)Cc1nc2ccc(F)cc2o1 c1cncc(c1)[*:1] CC(C)[NH+](Cc1nc2ccc(F)cc2o1)C[*:1]
CC(C)[NH+](Cc1cccnc1)Cc1nc2ccc(F)cc2o1 c1cncc(c1)C[*:1] CC(C)[NH+](Cc1nc2ccc(F)cc2o1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)[*:1]
CCNC(=O)c1ccc(CNC(=O)N(Cc2ccccc2)C2CC2)cc1 CCNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])N(Cc1ccccc1)C1CC1
CCNC(=O)c1ccc(CNC(=O)N(Cc2ccccc2)C2CC2)cc1 C1CC1[*:1] CCNC(=O)c1ccc(cc1)CNC(=O)N(Cc1ccccc1)[*:1]
CCNC(=O)c1ccc(CNC(=O)N(Cc2ccccc2)C2CC2)cc1 c1ccc(cc1)C[*:1] CCNC(=O)c1ccc(cc1)CNC(=O)N(C1CC1)[*:1]
CCNC(=O)c1ccc(CNC(=O)N(Cc2ccccc2)C2CC2)cc1 c1ccc(cc1)[*:1] CCNC(=O)c1ccc(cc1)CNC(=O)N(C[*:1])C1CC1
CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)c2ccc3ccccc3c2)c1 CCNC(=O)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(c1)[*:1])c1ccc2ccccc2c1
CC(C)(CNC(=O)C(=O)Nc1ccccc1F)c1ccccc1 Fc1ccccc1[*:1] CC(C)(CNC(=O)C(=O)N[*:1])c1ccccc1
CC(C)(CNC(=O)C(=O)Nc1ccccc1F)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccccc1F)[*:1]
COCCNc1nnnc2c1sc1[nH+]c(N3CCOCC3)c3c(c12)CC(C)(C)OC3 C1CN(CCO1)[*:1] COCCNc1nnnc2c1sc1[nH+]c(c3COC(C)(C)Cc3c12)[*:1]
COCCNc1nnnc2c1sc1[nH+]c(N3CCOCC3)c3c(c12)CC(C)(C)OC3 COCC[*:1] CC1(C)Cc2c(CO1)c([nH+]c1sc3c(nnnc3c21)N[*:1])N1CCOCC1
COCCNc1nnnc2c1sc1[nH+]c(N3CCOCC3)c3c(c12)CC(C)(C)OC3 COCCN[*:1] CC1(C)Cc2c(CO1)c([nH+]c1sc3c(nnnc3c21)[*:1])N1CCOCC1
COCCNc1nnnc2c1sc1[nH+]c(N3CCOCC3)c3c(c12)CC(C)(C)OC3 COC[*:1] CC1(C)Cc2c(CO1)c([nH+]c1sc3c(nnnc3c21)NC[*:1])N1CCOCC1
O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NC(=S)Nc1cccc(Cl)c1Cl)[*:1]
CCN1C[C@H](C(=O)NC2(C(N)=O)CCCCC2)CC1=O NC(=O)[*:1] CCN1C[C@@H](CC1=O)C(=O)NC1(CCCCC1)[*:1]
Cc1nc2ncnn2c([O-])c1[N-]S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc2ncnn2c([O-])c1[N-]S(=O)(=O)[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)C[C@@H](O)c2cccc(F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@@H](O)c1cccc(F)c1)N1CCSC[C@@H]1[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)C[C@@H](O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)[C@H]1CSCCN1C(=O)C[C@@H](O)[*:1]
CCc1c(C(=O)[O-])nnn1-c1ccc(OC)cc1 O=C([O-])[*:1] CCc1c(nnn1-c1ccc(cc1)OC)[*:1]
CC(C)NC(=O)NC(=O)COC(=O)c1cccnc1Nc1ccccc1F Fc1ccccc1[*:1] CC(C)NC(=O)NC(=O)COC(=O)c1cccnc1N[*:1]
CC(C)NC(=O)NC(=O)COC(=O)c1cccnc1Nc1ccccc1F CC(C)[*:1] O=C(COC(=O)c1cccnc1Nc1ccccc1F)NC(=O)N[*:1]
CC(C)NC(=O)NC(=O)COC(=O)c1cccnc1Nc1ccccc1F Fc1ccccc1N[*:1] CC(C)NC(=O)NC(=O)COC(=O)c1cccnc1[*:1]
CC(C)NC(=O)NC(=O)COC(=O)c1cccnc1Nc1ccccc1F CC(C)NC(=O)NC(=O)[*:1] O=C(OC[*:1])c1cccnc1Nc1ccccc1F
COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1)CCC(=O)Nc1cc(ccc1Cl)[*:1]
COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])Nc1cc(ccc1Cl)S(=O)(=O)N1CCOCC1
COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 COc1ccc(cc1)C[*:1] O=C(C[*:1])Nc1cc(ccc1Cl)S(=O)(=O)N1CCOCC1
COc1ccccc1NC(=O)CSc1nc2c(c(=O)n1C)SCC2 COc1ccccc1[*:1] Cn1c(nc2CCSc2c1=O)SCC(=O)N[*:1]
CN(C(=O)COc1cccc2c1NC(=O)CO2)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)COc1cccc2OCC(=O)Nc21)[*:1]
COCCCNC(=O)NNC(=O)c1ccc2c(c1)CCCC2 COC[*:1] O=C(NCC[*:1])NNC(=O)c1ccc2CCCCc2c1
COCCCNC(=O)NNC(=O)c1ccc2c(c1)CCCC2 COCCC[*:1] O=C(NNC(=O)c1ccc2CCCCc2c1)N[*:1]
COCCCNC(=O)NNC(=O)c1ccc2c(c1)CCCC2 COCC[*:1] O=C(NC[*:1])NNC(=O)c1ccc2CCCCc2c1
CCc1cccc(C)c1NC(=O)[C@@H](C)SCc1cccc(OC)c1 COc1cccc(c1)[*:1] CCc1cccc(C)c1NC(=O)[C@@H](C)SC[*:1]
CCCc1nc(C)c(CNC(=O)C2CC[NH+](CC(N)=O)CC2)s1 NC(=O)C[*:1] CCCc1nc(C)c(CNC(=O)C2CC[NH+](CC2)[*:1])s1
CCCc1nc(C)c(CNC(=O)C2CC[NH+](CC(N)=O)CC2)s1 CCC[*:1] Cc1nc(sc1CNC(=O)C1CC[NH+](CC1)CC(N)=O)[*:1]
CCCc1nc(C)c(CNC(=O)C2CC[NH+](CC(N)=O)CC2)s1 NC(=O)[*:1] CCCc1nc(C)c(CNC(=O)C2CC[NH+](CC2)C[*:1])s1
O=C(NCC[NH2+]Cc1cccc(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[NH2+]Cc1cccc(Cl)c1)[*:1]
COc1cc(/C=C\C(=O)N2CCN(C(C)C)CC2)cc(OC)c1OC CC(C)[*:1] COc1cc(/C=C\C(=O)N2CCN(CC2)[*:1])cc(OC)c1OC
CC[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)C(C)C)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)[C@H](c1nnnn1C[*:1])C(C)C
CC[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)C(C)C)CC1 c1ccc(cc1)C[*:1] CC[NH+]1CCN(CC1)[C@H](c1nnnn1[*:1])C(C)C
CC[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)C(C)C)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)[C@H](c1nnnn1Cc1ccccc1)[*:1]
O=C(NCC1(c2cccs2)CCCCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCC1(CCCCC1)c1cccs1)C(=O)Nc1ccc(F)c(c1)[*:1]
O=C(NCC1(c2cccs2)CCCCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 c1csc(c1)[*:1] O=C(NCC1(CCCCC1)[*:1])C(=O)Nc1ccc(F)c(c1)[N+](=O)[O-]
CC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(C)cc1C CC(=O)N[*:1] Cc1ccc(c(C)c1)-n1ncc2c(ncnc21)-n1nc(C)cc1[*:1]
CC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2[*:1]
COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)C1CCCCC1 O=C(N[*:1])C1CCCCC1 COc1cc(c(cc1NS(=O)(=O)c1ccc(Cl)cc1)OC)[*:1]
COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)C1CCCCC1 Clc1ccc(cc1)[*:1] COc1cc(NS(=O)(=O)[*:1])c(cc1NC(=O)C1CCCCC1)OC
COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(cc1NC(=O)[*:1])OC
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1coc(n1)[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1coc(-c2ccccc2)n1 Cc1n[nH]c(C)c1[*:1] C[C@@H](C[*:1])C(=O)NCc1coc(n1)-c1ccccc1
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1coc(-c2ccccc2)n1 Cc1n[nH]c(C)c1C[*:1] C[C@H](C(=O)NCc1coc(n1)-c1ccccc1)[*:1]
CCSc1nc(N2CCCC2)c2cnn(CCNC(=O)C(C)(C)C)c2n1 CCS[*:1] CC(C)(C)C(=O)NCCn1ncc2c(nc(nc21)[*:1])N1CCCC1
CCSc1nc(N2CCCC2)c2cnn(CCNC(=O)C(C)(C)C)c2n1 CC(C)(C)[*:1] CCSc1nc(c2cnn(CCNC(=O)[*:1])c2n1)N1CCCC1
CCSc1nc(N2CCCC2)c2cnn(CCNC(=O)C(C)(C)C)c2n1 C1CCN(C1)[*:1] CCSc1nc(c2cnn(CCNC(=O)C(C)(C)C)c2n1)[*:1]
CCSc1nc(N2CCCC2)c2cnn(CCNC(=O)C(C)(C)C)c2n1 CC(C)(C)C(=O)NC[*:1] CCSc1nc(c2cnn(C[*:1])c2n1)N1CCCC1
CCSc1nc(N2CCCC2)c2cnn(CCNC(=O)C(C)(C)C)c2n1 CC(C)(C)C(=O)N[*:1] CCSc1nc(c2cnn(CC[*:1])c2n1)N1CCCC1
NC(=O)c1cn(Cc2ccccc2)c2ncc(Br)cc12 c1ccc(cc1)[*:1] NC(=O)c1cn(C[*:1])c2ncc(Br)cc12
NC(=O)c1cn(Cc2ccccc2)c2ncc(Br)cc12 NC(=O)[*:1] Brc1cnc2c(c1)c(cn2Cc1ccccc1)[*:1]
Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])c1ccc(cc1)[*:1] Cc1oc(cc1C(=O)N[*:1])-c1ccc(Cl)cc1[N+](=O)[O-]
Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cc1oc(cc1C(=O)Nc1ccc(cc1)[*:1])-c1ccc(Cl)cc1[N+](=O)[O-]
Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1oc(cc1C(=O)Nc1ccc(cc1)C(=O)[O-])-c1ccc(Cl)cc1[*:1]
NC(=O)NCc1ccc(C(=O)Oc2ccc3nccnc3c2)cc1 NC(=O)NC[*:1] O=C(Oc1ccc2nccnc2c1)c1ccc(cc1)[*:1]
NC(=O)NCc1ccc(C(=O)Oc2ccc3nccnc3c2)cc1 NC(=O)N[*:1] O=C(Oc1ccc2nccnc2c1)c1ccc(cc1)C[*:1]
Cc1c(CNC(=O)Nc2cc(F)c(Br)cc2F)cnn1C Cc1c(cnn1C)[*:1] O=C(NC[*:1])Nc1cc(F)c(Br)cc1F
CCOC(=O)c1c(Cc2cccc(Cl)c2Cl)c[nH]c1C CCOC(=O)[*:1] Cc1[nH]cc(Cc2cccc(Cl)c2Cl)c1[*:1]
CCOc1ccc([C@H](C)NC(=O)c2ccc(-n3cncn3)nc2)cc1 CCO[*:1] C[C@H](NC(=O)c1ccc(nc1)-n1cncn1)c1ccc(cc1)[*:1]
CCOc1ccc([C@H](C)NC(=O)c2ccc(-n3cncn3)nc2)cc1 c1ncn(n1)[*:1] CCOc1ccc(cc1)[C@H](C)NC(=O)c1ccc(nc1)[*:1]
Cc1ccc2oc([C@H]([NH3+])c3ccccc3)cc2c1 c1ccc(cc1)[*:1] Cc1ccc2oc(cc2c1)[C@H]([NH3+])[*:1]
CC[C@@](C)(O)C[NH2+][C@H]1CCCCC1(C)C CC[C@@](C)(O)[*:1] CC1(C)CCCC[C@@H]1[NH2+]C[*:1]
C#CC[C@@H](OC(=O)[C@H]1C[C@@H]1c1ccccc1F)C1CC1 C1CC1[*:1] C#CC[C@@H](OC(=O)[C@H]1C[C@@H]1c1ccccc1F)[*:1]
C#CC[C@@H](OC(=O)[C@H]1C[C@@H]1c1ccccc1F)C1CC1 C#CC[*:1] O=C(O[C@@H](C1CC1)[*:1])[C@H]1C[C@@H]1c1ccccc1F
O=C(Cc1nc(-c2ccccc2)n[nH]1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cc1nc(n[nH]1)-c1ccccc1)N[*:1]
O=C(Cc1nc(-c2ccccc2)n[nH]1)NC1CCCC1 c1ccc(cc1)[*:1] O=C(Cc1nc(n[nH]1)[*:1])NC1CCCC1
COc1cc(C)ccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] COc1cc(C)ccc1OCC(=O)Nc1ccc(cc1)[*:1]
COc1cc(C)ccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] COc1cc(C)ccc1OCC(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)o1 Cc1ccc(o1)[*:1] O=C(NNC(=O)[*:1])N[C@@H]1CCc2cc(Cl)ccc21
O=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] O=C(NCc1ccc2OCOc2c1)c1ccccc1[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCc1ccc2OCOc2c1)c1ccccc1O[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccccc1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1ccccc1OCc1ccccc1
O=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)c1ccccc1OC[*:1]
COC(=O)[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)c2ccccc21 N#Cc1ccccc1O[*:1] COC(=O)[C@H]1CCN(C(=O)[C@H](C)[*:1])c2ccccc21
COC(=O)[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)c2ccccc21 N#Cc1ccccc1[*:1] COC(=O)[C@H]1CCN(C(=O)[C@H](C)O[*:1])c2ccccc21
COC(=O)[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)c2ccccc21 COC(=O)[*:1] C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](c2ccccc21)[*:1]
N#C/C(C1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1)=C(/[O-])c1ccoc1 c1cc(co1)[*:1] N#C/C(C1N=C2S[C@H]3CCCCC3=C2C(=O)N=1)=C(/[O-])[*:1]
C[NH+](CCCNC(=O)c1ccc(N2CCCC2=O)cc1)C1CCCCC1 O=C1CCCN1[*:1] C[NH+](CCCNC(=O)c1ccc(cc1)[*:1])C1CCCCC1
O=C(NCC1CC1)[C@@H]1CCCN1C(=O)c1ccccn1 C1CC1C[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
O=C(NCC1CC1)[C@@H]1CCCN1C(=O)c1ccccn1 c1ccc(nc1)[*:1] O=C(NCC1CC1)[C@@H]1CCCN1C(=O)[*:1]
O=C(NCC1CC1)[C@@H]1CCCN1C(=O)c1ccccn1 C1CC1[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
C[C@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1c(F)cccc1F C1C[C@@H](CO1)O[*:1] C[C@H](NCc1ccnc(c1)[*:1])c1c(F)cccc1F
C[C@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1c(F)cccc1F C1C[C@@H](CO1)[*:1] C[C@H](NCc1ccnc(c1)O[*:1])c1c(F)cccc1F
C[C@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@H](NCc1ccnc(c1)O[C@H]1CCOC1)[*:1]
Cc1ccc([C@@]2(C)NC(=O)N(CC#N)C2=O)cc1 N#CC[*:1] Cc1ccc(cc1)[C@@]1(C)NC(=O)N(C1=O)[*:1]
CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cc2C1=O CC(C)CC[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cc2C1=O CC(C)C[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cc2C1=O CC(C)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)c1ccc2C(=O)N(CC[*:1])C(=O)c2c1
C=CCN(CCO)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C C=CC[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(CCO)[*:1]
C=CCN(CCO)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C OCC[*:1] C=CCN(C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C)[*:1]
Cc1cc(C)nc(Nc2nc(C(=O)Nc3cccc(C)c3C)cs2)n1 Cc1cccc(c1C)[*:1] Cc1cc(C)nc(n1)Nc1nc(cs1)C(=O)N[*:1]
Cc1cc(C)nc(Nc2nc(C(=O)Nc3cccc(C)c3C)cs2)n1 Cc1cc(C)nc(n1)[*:1] Cc1cccc(NC(=O)c2csc(n2)N[*:1])c1C
O=C1N[C@H](c2cccc(-c3ccccc3)c2)N2CCOC[C@H]12 c1ccc(cc1)[*:1] O=C1N[C@H](c2cccc(c2)[*:1])N2CCOC[C@H]12
C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCCCC1 O=[N+]([O-])[*:1] C[C@H](NC(=O)CN1C(=O)c2cccc(c2C1=O)[*:1])C1CCCCC1
C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCCCC1 C[C@H](C1CCCCC1)[*:1] O=C(CN1C(=O)c2cccc(c2C1=O)[N+](=O)[O-])N[*:1]
C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)CN1C(=O)c2cccc(c2C1=O)[N+](=O)[O-])[*:1]
Cc1cc2c(cc1C)N(CC(=O)NCc1ccco1)C(=O)C1=C(CCC1)N2 c1coc(c1)[*:1] Cc1cc2NC3CCCC=3C(=O)N(CC(=O)NC[*:1])c2cc1C
Cc1cc2c(cc1C)N(CC(=O)NCc1ccco1)C(=O)C1=C(CCC1)N2 c1coc(c1)C[*:1] Cc1cc2NC3CCCC=3C(=O)N(CC(=O)N[*:1])c2cc1C
Cc1cc2c(cc1C)N(CC(=O)NCc1ccco1)C(=O)C1=C(CCC1)N2 O=C(NCc1ccco1)[*:1] Cc1cc2NC3CCCC=3C(=O)N(C[*:1])c2cc1C
CC(C)c1noc(CCCC(=O)NC[C@@H]2CCCO2)n1 CC(C)[*:1] O=C(CCCc1nc(no1)[*:1])NC[C@@H]1CCCO1
CC(C)c1noc(CCCC(=O)NC[C@@H]2CCCO2)n1 C1CO[C@@H](C1)C[*:1] CC(C)c1noc(CCCC(=O)N[*:1])n1
CC(C)c1noc(CCCC(=O)NC[C@@H]2CCCO2)n1 C1CO[C@@H](C1)[*:1] CC(C)c1noc(CCCC(=O)NC[*:1])n1
Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(ccc1/N=C/c1ccc(Cl)c(c1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(ccc1/N=C/c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)c1c(N)n(C)c(=O)n(C)c1=O Clc1ccc(Cl)c(c1)[*:1] C[C@@H](S[*:1])C(=O)c1c(N)n(C)c(=O)n(C)c1=O
COC(=O)CCCS(=O)(=O)c1ccccc1F COC(=O)[*:1] O=S(=O)(CCC[*:1])c1ccccc1F
COC(=O)CCCS(=O)(=O)c1ccccc1F COC(=O)C[*:1] O=S(=O)(CC[*:1])c1ccccc1F
Cc1ccccc1-c1csc2c(=O)[nH]c(N3CCC[C@H](C(=O)[O-])C3)nc12 O=C([O-])[*:1] Cc1ccccc1-c1csc2c(=O)[nH]c(nc12)N1CCC[C@H](C1)[*:1]
Cc1ccccc1-c1csc2c(=O)[nH]c(N3CCC[C@H](C(=O)[O-])C3)nc12 Cc1ccccc1[*:1] O=C([O-])[C@H]1CCCN(C1)c1nc2c(csc2c(=O)[nH]1)[*:1]
N#CCc1ccc(NC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)cc1 N#CCc1ccc(cc1)[*:1] O=C(CCc1nc2ccccc2c(=O)n1C1CC1)N[*:1]
N#CCc1ccc(NC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)cc1 C1CC1[*:1] N#CCc1ccc(cc1)NC(=O)CCc1nc2ccccc2c(=O)n1[*:1]
N#CCc1ccc(NC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)cc1 N#CC[*:1] O=C(CCc1nc2ccccc2c(=O)n1C1CC1)Nc1ccc(cc1)[*:1]
O=[N+]([O-])c1cc(N[C@@H]2COc3cc(O)ccc32)ccc1Br O=[N+]([O-])[*:1] Oc1ccc2c(c1)OC[C@H]2Nc1ccc(Br)c(c1)[*:1]
COc1ncc(C)cc1NC(=O)c1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] COc1ncc(C)cc1NC(=O)c1cn(C)nc1[*:1]
CC(C)Sc1ccccc1C(=O)N(C)C1CCOCC1 CC(C)S[*:1] CN(C(=O)c1ccccc1[*:1])C1CCOCC1
CC(C)Sc1ccccc1C(=O)N(C)C1CCOCC1 C1CC(CCO1)[*:1] CC(C)Sc1ccccc1C(=O)N(C)[*:1]
CC(C)Sc1ccccc1C(=O)N(C)C1CCOCC1 CC(C)[*:1] CN(C(=O)c1ccccc1S[*:1])C1CCOCC1
O=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)c1c[nH]c(=O)n(-c2ccccc2F)c1=O Fc1ccc(cc1)[*:1] O=C(NCCn1cnc(cc1=O)[*:1])c1c[nH]c(=O)n(-c2ccccc2F)c1=O
O=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)c1c[nH]c(=O)n(-c2ccccc2F)c1=O Fc1ccccc1[*:1] O=C(NCCn1cnc(cc1=O)-c1ccc(F)cc1)c1c[nH]c(=O)n(c1=O)[*:1]
CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 Clc1cccc(c1)[*:1] CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(C(=O)[C@@H]12)[*:1]
CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 CC(C)[*:1] C[C@@]12C=C[C@](CC1)([C@H]1C(=O)N(C(=O)[C@@H]12)c1cccc(Cl)c1)[*:1]
Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)N1c2ccccc2C[C@@H]1C O=C1CCS(=O)(=O)N1[*:1] Cc1cc(ccc1S(=O)(=O)N1c2ccccc2C[C@@H]1C)[*:1]
CC(C)c1cc(NC(=O)c2ccccc2SC[C@H]2CCCO2)[nH]n1 C1CO[C@H](C1)C[*:1] CC(C)c1cc(NC(=O)c2ccccc2S[*:1])[nH]n1
CC(C)c1cc(NC(=O)c2ccccc2SC[C@H]2CCCO2)[nH]n1 C1CO[C@H](C1)CS[*:1] CC(C)c1cc(NC(=O)c2ccccc2[*:1])[nH]n1
CC(C)c1cc(NC(=O)c2ccccc2SC[C@H]2CCCO2)[nH]n1 C1CO[C@H](C1)[*:1] CC(C)c1cc(NC(=O)c2ccccc2SC[*:1])[nH]n1
CC(C)c1cc(NC(=O)c2ccccc2SC[C@H]2CCCO2)[nH]n1 CC(C)[*:1] O=C(Nc1cc(n[nH]1)[*:1])c1ccccc1SC[C@H]1CCCO1
CC(C)c1cc(NC(=O)c2ccccc2SC[C@H]2CCCO2)[nH]n1 CC(C)c1cc([nH]n1)[*:1] O=C(N[*:1])c1ccccc1SC[C@H]1CCCO1
Cc1nnnn1-c1cccc(NC(=O)c2cc(F)cc3[nH]cnc23)c1 Cc1nnnn1[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(F)cc2[nH]cnc12
CSc1ccccc1[C@@H](O)Cc1cccs1 c1csc(c1)[*:1] CSc1ccccc1[C@@H](O)C[*:1]
CCc1cnc(CN(C)C(=O)c2ccnc(OC3CCC3)c2)s1 CCc1cnc(s1)[*:1] CN(C[*:1])C(=O)c1ccnc(c1)OC1CCC1
CCc1cnc(CN(C)C(=O)c2ccnc(OC3CCC3)c2)s1 C1CC(C1)O[*:1] CCc1cnc(CN(C)C(=O)c2ccnc(c2)[*:1])s1
CCc1cnc(CN(C)C(=O)c2ccnc(OC3CCC3)c2)s1 C1CC(C1)[*:1] CCc1cnc(CN(C)C(=O)c2ccnc(c2)O[*:1])s1
O=C(Cc1ccc2c(c1)CCCC2)Nc1nc(CN2CCOCC2)cs1 C1CN(CCO1)[*:1] O=C(Cc1ccc2CCCCc2c1)Nc1nc(cs1)C[*:1]
O=C(Cc1ccc2c(c1)CCCC2)Nc1nc(CN2CCOCC2)cs1 C1CN(CCO1)C[*:1] O=C(Cc1ccc2CCCCc2c1)Nc1nc(cs1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCCC2=CCCCC2)CC1 Cc1noc(C)c1[*:1] O=C(CC1CCN(CC1)S(=O)(=O)[*:1])NCCC1=CCCCC1
Cc1noc(-c2cc[nH+]c(N(C)[C@H]3CCC[C@H](C)C3)c2)n1 Cc1noc(n1)[*:1] C[C@H]1CCC[C@@H](C1)N(C)c1cc(cc[nH+]1)[*:1]
Cc1noc(-c2cc[nH+]c(N(C)[C@H]3CCC[C@H](C)C3)c2)n1 C[C@H]1CCC[C@@H](C1)[*:1] Cc1noc(n1)-c1cc[nH+]c(c1)N(C)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ccc(C(N)=O)cn3)CC2)cc1 CCO[*:1] NC(=O)c1ccc(nc1)C(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ccc(C(N)=O)cn3)CC2)cc1 NC(=O)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)c1ccc(cn1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(Cn3cc[nH+]c3-c3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CCC(CC1)Cn1cc[nH+]c1-c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(Cn3cc[nH+]c3-c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Cn1cc[nH+]c1[*:1]
CC(C)[C@H](Sc1nc2ncccn2n1)C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] CC(C)[C@H](Sc1nc2ncccn2n1)C(=O)N[*:1]
CC(C)[C@H](Sc1nc2ncccn2n1)C(=O)NCc1cccnc1 CC(C)[*:1] O=C(NCc1cccnc1)[C@@H](Sc1nc2ncccn2n1)[*:1]
CC(C)[C@H](Sc1nc2ncccn2n1)C(=O)NCc1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H](Sc1nc2ncccn2n1)C(=O)NC[*:1]
Cc1ccccc1NC(=O)C[C@H]1C(=O)Nc2c(-c3ccc(Cl)cc3)c(C)nn21 Cc1ccccc1[*:1] Cc1nn2c(NC(=O)[C@@H]2CC(=O)N[*:1])c1-c1ccc(Cl)cc1
Cc1ccccc1NC(=O)C[C@H]1C(=O)Nc2c(-c3ccc(Cl)cc3)c(C)nn21 Clc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C[C@H]1C(=O)Nc2c(c(C)nn21)[*:1]
Cc1nc2n(n1)C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2 FC(F)(F)[*:1] Cc1nc2NC(=O)[C@@H](CC(=O)Nc3cccc(c3)[*:1])Cn2n1
CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(=O)N2 CC(C)C[*:1] O=C(N[C@@]1(C(=O)Nc2c1c(=O)[nH]c(=O)n2[*:1])C(F)(F)F)c1ccc(Cl)cc1Cl
CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(=O)N2 Clc1ccc(c(Cl)c1)[*:1] CC(C)Cn1c2NC(=O)[C@@](NC(=O)[*:1])(c2c(=O)[nH]c1=O)C(F)(F)F
CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(=O)N2 CC(C)[*:1] O=C(N[C@@]1(C(=O)Nc2c1c(=O)[nH]c(=O)n2C[*:1])C(F)(F)F)c1ccc(Cl)cc1Cl
CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(=O)N2 FC(F)(F)[*:1] CC(C)Cn1c2NC(=O)[C@](NC(=O)c3ccc(Cl)cc3Cl)(c2c(=O)[nH]c1=O)[*:1]
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(-c2ccccc2)cc1 O=S(=O)(Nc1ccccn1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)-c1ccccc1
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)c1ccc(cc1)[*:1]
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(-c2ccccc2)cc1 c1ccc(nc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccc(cc1)-c1ccccc1
O=C(NCC1(c2ccccc2)CC1)N[C@H]1CCC[C@@H]1CO c1ccc(cc1)[*:1] O=C(NCC1(CC1)[*:1])N[C@H]1CCC[C@@H]1CO
CCN(CCOC)c1cccc(F)c1C[NH3+] COCC[*:1] CCN(c1cccc(F)c1C[NH3+])[*:1]
CCN(CCOC)c1cccc(F)c1C[NH3+] COC[*:1] CCN(C[*:1])c1cccc(F)c1C[NH3+]
COc1ccc(NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](CNC(=O)N[*:1])N1CC[NH+](C)CC1
COc1ccc(NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1]
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cn(C(C)C)c4ccccc34)C2=O)c1 Cc1cccc(c1)NC(=O)[*:1] CC(C)n1cc(/C=C2\SC(=O)N(C[*:1])C2=O)c2ccccc21
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cn(C(C)C)c4ccccc34)C2=O)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)S/C(=C\c2cn(c3ccccc23)[*:1])C1=O
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cn(C(C)C)c4ccccc34)C2=O)c1 Cc1cccc(c1)[*:1] CC(C)n1cc(/C=C2\SC(=O)N(CC(=O)N[*:1])C2=O)c2ccccc21
CCN(CCCNC(=O)N1CCC[C@@H](CO)C1)c1ccccc1 c1ccc(cc1)[*:1] CCN(CCCNC(=O)N1CCC[C@@H](CO)C1)[*:1]
Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2c(C)cnn2-c2ccccc2)s1 Cc1ccc(s1)[*:1] Cc1cnn(-c2ccccc2)c1NC(=O)[C@H]1C[C@H]1[*:1]
Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2c(C)cnn2-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)[C@@H]1C[C@@H]1C(=O)Nc1c(C)cnn1[*:1]
O=C(COc1ccc2nccnc2c1)Nc1ccccc1OC(F)F FC(F)O[*:1] O=C(COc1ccc2nccnc2c1)Nc1ccccc1[*:1]
O=C(COc1ccc2nccnc2c1)Nc1ccccc1OC(F)F FC(F)[*:1] O=C(COc1ccc2nccnc2c1)Nc1ccccc1O[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c(C)c1 c1ccn2c(nnc2c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=S(=O)(N1CCC[C@@H](C1)c1nnc2ccccn12)[*:1]
Cc1nc(C2CCCC2)sc1C(=O)Nc1cnn(CC(=O)N(C)C)c1 C1CCC(C1)[*:1] Cc1nc(sc1C(=O)Nc1cnn(c1)CC(=O)N(C)C)[*:1]
Cc1nc(C2CCCC2)sc1C(=O)Nc1cnn(CC(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1nc(sc1C(=O)Nc1cnn(c1)C[*:1])C1CCCC1
Cc1nc(C2CCCC2)sc1C(=O)Nc1cnn(CC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] Cc1nc(sc1C(=O)Nc1cnn(c1)[*:1])C1CCCC1
C=CCSc1ccccc1C(=O)NCc1ccccn1 C=CCS[*:1] O=C(NCc1ccccn1)c1ccccc1[*:1]
C=CCSc1ccccc1C(=O)NCc1ccccn1 c1ccc(nc1)[*:1] C=CCSc1ccccc1C(=O)NC[*:1]
C=CCSc1ccccc1C(=O)NCc1ccccn1 C=CC[*:1] O=C(NCc1ccccn1)c1ccccc1S[*:1]
C[NH+](C)C1(CNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)CCOCC1 c1cn(cn1)[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)NCc1ccc(c(F)c1)[*:1]
Cc1ccsc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccco2)cc1 Cc1ccsc1[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)NC(=O)c1ccco1
Cc1ccsc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] Cc1ccsc1C(=O)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccsc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 Cc1ccsc1C(=O)NNC(=O)c1ccc(cc1)[*:1]
C=CCN1C(=O)/C(=C\c2ccc(C)o2)S/C1=N/c1cccc(C)n1 Cc1cccc(n1)[*:1] C=CCN1C(=O)/C(=C\c2ccc(C)o2)SC1=N[*:1]
C=CCN1C(=O)/C(=C\c2ccc(C)o2)S/C1=N/c1cccc(C)n1 C=CC[*:1] Cc1cccc(/N=C2/S/C(=C/c3ccc(C)o3)C(=O)N2[*:1])n1
C=CCN1C(=O)/C(=C\c2ccc(C)o2)S/C1=N/c1cccc(C)n1 Cc1ccc(o1)[*:1] C=CCN1C(=O)C(=C[*:1])S/C1=N/c1cccc(C)n1
CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)o1 CNS(=O)(=O)[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(o1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)o1 CC(C)[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)N[C@@H]1C[C@H](C)CC[C@H]1[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CCc2nc(-c3cccnc3)no2)C1 c1cncc(c1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)CCc1nc(no1)[*:1]
Cc1c(-c2noc(-c3cccnc3)n2)nnn1-c1ccccc1 c1cncc(c1)[*:1] Cc1c(nnn1-c1ccccc1)-c1noc(n1)[*:1]
Cc1c(-c2noc(-c3cccnc3)n2)nnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(nnn1[*:1])-c1noc(n1)-c1cccnc1
CCOc1ccc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1OC Cc1cc(C)c(c(C)c1)[*:1] CCOc1ccc(cc1OC)C(=O)NCC(=O)N[*:1]
CCOc1ccc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)NCC(=O)Nc1c(C)cc(C)cc1C
CCCCn1c(=O)c2sccc2n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc12 CCCC[*:1] O=C(CSc1nnc2n(c(=O)c3sccc3n12)[*:1])Nc1ccc2OCCOc2c1
CCCCn1c(=O)c2sccc2n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc12 c1cc2OCCOc2cc1[*:1] CCCCn1c(=O)c2sccc2n2c(nnc12)SCC(=O)N[*:1]
CCCCn1c(=O)c2sccc2n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc12 CCC[*:1] O=C(CSc1nnc2n(C[*:1])c(=O)c3sccc3n12)Nc1ccc2OCCOc2c1
CCn1nc(C(C)C)cc1C(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1 OCc1ccc(cc1)[*:1] CCn1nc(cc1C(=O)N1CC[C@@H](C1)C[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1 CC(C)[*:1] CCn1nc(cc1C(=O)N1CC[C@H](Cc2ccc(cc2)CO)C1)[*:1]
COCCCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 COCCC[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCCC[C@H]1[NH2+]C[*:1]
COCCCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 COCC[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCCC[C@H]1[NH2+]CC[*:1]
COCCCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 COCCCC[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCCC[C@H]1[NH2+][*:1]
COCCCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 COC[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCCC[C@H]1[NH2+]CCC[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])Cc2csc(-c3cccs3)n2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])Cc1csc(n1)-c1cccs1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])Cc2csc(-c3cccs3)n2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])Cc1csc(n1)[*:1]
CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2CN(CCc21)[*:1]
CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCN(Cc1ccccc1)C2 CCOC(=O)[*:1] O=C(Nc1sc2CN(CCc2c1[*:1])Cc1ccccc1)C1CCCCC1
CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCN(Cc1ccccc1)C2 C1CCC(CC1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)Cc1ccccc1
CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2CN(CCc21)C[*:1]
CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCN(Cc1ccccc1)C2 O=C(N[*:1])C1CCCCC1 CCOC(=O)c1c(sc2CN(CCc21)Cc1ccccc1)[*:1]
CCn1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cn1 CCn1cc(cn1)[*:1] O=C1c2ccccc2N[C@H](N1CCc1ccccc1)[*:1]
CCn1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cn1 c1ccc(cc1)CC[*:1] CCn1cc(cn1)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
CCn1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cn1 c1ccc(cc1)C[*:1] CCn1cc(cn1)[C@@H]1Nc2ccccc2C(=O)N1C[*:1]
CCn1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)[C@@H]1Nc2ccccc2C(=O)N1CC[*:1]
Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(C)c3)cc2)cs1 Cc1nc(cs1)[*:1] Cc1ccc(cc1C)C(=O)NCc1ccc(cc1)[*:1]
Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(C)c3)cc2)cs1 Cc1ccc(cc1C)[*:1] Cc1nc(cs1)-c1ccc(cc1)CNC(=O)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 c1csc(c1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N1CCN(CC1)C(=O)[*:1]
O=C(CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)NCc1ccc(F)cc1 Brc1ccc(s1)[*:1] O=C(CC1CCN(CC1)S(=O)(=O)[*:1])NCc1ccc(F)cc1
O=C(CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CC1CCN(CC1)S(=O)(=O)c1ccc(Br)s1)NC[*:1]
O=C(CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CC1CCN(CC1)S(=O)(=O)c1ccc(Br)s1)N[*:1]
CCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2cnccn2)n1 c1cnc(cn1)[*:1] CCc1cc(nc(n1)[*:1])NC[C@@H]1CCC[NH2+]C1
CC(C)(C)S(=O)(=O)CCNC(=O)N[C@@H]1CCCC[C@@H]1O CC(C)(C)[*:1] O=C(NCCS(=O)(=O)[*:1])N[C@@H]1CCCC[C@@H]1O
CCOC(=O)N1CCC(NC(=O)N[C@@H](CC)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)N[C@@H](CC)[*:1]
CC(=O)c1c(C)nsc1N[C@@H](C)Cc1ccsc1 c1cc(cs1)C[*:1] CC(=O)c1c(C)nsc1N[C@@H](C)[*:1]
CC(=O)c1c(C)nsc1N[C@@H](C)Cc1ccsc1 c1cc(cs1)[*:1] CC(=O)c1c(C)nsc1N[C@@H](C)C[*:1]
CC(=O)c1c(C)nsc1N[C@@H](C)Cc1ccsc1 CC(=O)[*:1] Cc1nsc(N[C@@H](C)Cc2ccsc2)c1[*:1]
CCOC(=O)N[C@H]1SC(c2ccccc2)=N[C@@]1(O)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)N[C@H]1SC(=N[C@]1(O)[*:1])c1ccccc1
CCOC(=O)N[C@H]1SC(c2ccccc2)=N[C@@]1(O)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)N[C@H]1SC(=N[C@@]1(O)c1ccccc1)[*:1]
CCOC(=O)N[C@H]1SC(c2ccccc2)=N[C@@]1(O)c1ccccc1 CCOC(=O)N[*:1] O[C@]1(N=C(S[C@@H]1[*:1])c1ccccc1)c1ccccc1
CC[NH+](CC)[C@@](C)(CC)C(=O)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] CC[NH+](CC)[C@@](C)(CC)C(=O)C[*:1]
CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 CCO[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)NS(=O)(=O)c1ccccc1
CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(N1CCC(CC1)NS(=O)(=O)c1ccccc1)[*:1]
CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
COCCNC(=O)[C@@H](Oc1ccc(Br)cc1)C(C)C COC[*:1] CC(C)[C@H](Oc1ccc(Br)cc1)C(=O)NC[*:1]
COCCNC(=O)[C@@H](Oc1ccc(Br)cc1)C(C)C COCC[*:1] CC(C)[C@H](Oc1ccc(Br)cc1)C(=O)N[*:1]
COCCNC(=O)[C@@H](Oc1ccc(Br)cc1)C(C)C CC(C)[*:1] COCCNC(=O)[C@@H](Oc1ccc(Br)cc1)[*:1]
Cc1nnc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)s1 Cc1nnc(s1)[*:1] C[C@H](S[*:1])C(=O)N1N=C(C[C@H]1c1ccco1)c1ccc(Cl)cc1
Cc1nnc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)s1 Cc1nnc(S[*:1])s1 C[C@@H](C(=O)N1N=C(C[C@H]1c1ccco1)c1ccc(Cl)cc1)[*:1]
Cc1nnc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)s1 c1coc(c1)[*:1] Cc1nnc(S[C@@H](C)C(=O)N2N=C(C[C@@H]2[*:1])c2ccc(Cl)cc2)s1
Cc1nnc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)s1 Clc1ccc(cc1)[*:1] Cc1nnc(S[C@@H](C)C(=O)N2N=C(C[C@H]2c2ccco2)[*:1])s1
C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)NC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)NC(=O)O[*:1]
C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)NC(=O)OC(C)(C)C C[C@H]1CCC[C@H]1[*:1] CC(C)(C)OC(=O)NC(C)(C)C(=O)N[*:1]
CC(=O)Nc1ccc(CCNc2ncccc2F)cc1 CC(=O)N[*:1] Fc1cccnc1NCCc1ccc(cc1)[*:1]
N#Cc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 N#Cc1ccccc1[*:1] O=C(CO[*:1])N(Cc1ccc(F)cc1)C1CCCCC1
N#Cc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 Fc1ccc(cc1)[*:1] N#Cc1ccccc1OCC(=O)N(C[*:1])C1CCCCC1
N#Cc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 Fc1ccc(cc1)C[*:1] N#Cc1ccccc1OCC(=O)N(C1CCCCC1)[*:1]
N#Cc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 C1CCC(CC1)[*:1] N#Cc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)[*:1]
N#Cc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 N#Cc1ccccc1O[*:1] O=C(C[*:1])N(Cc1ccc(F)cc1)C1CCCCC1
C[C@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)Sc1ccccc1 c1ccc(cc1)S[*:1] C[C@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)[*:1]
C[C@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)Sc1ccccc1 CC(C)(C)C[*:1] C[C@H](CNC(=O)[C@H]1CCCN1C(=O)[*:1])Sc1ccccc1
C[C@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)S[*:1]
C[C@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)Sc1ccccc1 CC(C)(C)[*:1] C[C@H](CNC(=O)[C@H]1CCCN1C(=O)C[*:1])Sc1ccccc1
CO[C@@]1(C)C[C@@H](NC(=O)NC[C@H](O)c2ccco2)C1(C)C O[C@H](c1ccco1)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)NC[*:1])C1(C)C
CO[C@@]1(C)C[C@@H](NC(=O)NC[C@H](O)c2ccco2)C1(C)C c1coc(c1)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)NC[C@H](O)[*:1])C1(C)C
O=C(Nc1ccc(Oc2cccnc2)nc1)[C@@H]1CCCN(C(=O)C2CC2)C1 c1cncc(c1)[*:1] O=C(Nc1ccc(nc1)O[*:1])[C@@H]1CCCN(C1)C(=O)C1CC1
O=C(Nc1ccc(Oc2cccnc2)nc1)[C@@H]1CCCN(C(=O)C2CC2)C1 C1CC1[*:1] O=C(Nc1ccc(nc1)Oc1cccnc1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1ccc(Oc2cccnc2)nc1)[C@@H]1CCCN(C(=O)C2CC2)C1 c1cncc(c1)O[*:1] O=C(Nc1ccc(nc1)[*:1])[C@@H]1CCCN(C1)C(=O)C1CC1
CN(CC(C)(C)O)C(=O)c1nn(-c2ccccc2)c2c1CCCCC2 c1ccc(cc1)[*:1] CN(CC(C)(C)O)C(=O)c1nn(c2CCCCCc12)[*:1]
CN(CC(C)(C)O)C(=O)c1nn(-c2ccccc2)c2c1CCCCC2 CC(C)(O)[*:1] CN(C[*:1])C(=O)c1nn(-c2ccccc2)c2CCCCCc12
CN(CC(C)(C)O)C(=O)c1nn(-c2ccccc2)c2c1CCCCC2 CC(C)(O)C[*:1] CN(C(=O)c1nn(-c2ccccc2)c2CCCCCc12)[*:1]
Cc1c(C(=O)[O-])sc2ncn(N3CCCCCC3)c(=O)c12 O=C([O-])[*:1] Cc1c(sc2ncn(c(=O)c12)N1CCCCCC1)[*:1]
CSCc1cc(F)ccc1CNC(=O)C[C@@H](O)c1ccccc1 CSC[*:1] O=C(C[C@@H](O)c1ccccc1)NCc1ccc(F)cc1[*:1]
CSCc1cc(F)ccc1CNC(=O)C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CSCc1cc(F)ccc1CNC(=O)C[C@@H](O)[*:1]
Cc1cc(CN(C)Cc2nccs2)cc(C)c1OCc1ccccn1 c1ccc(nc1)[*:1] Cc1cc(cc(C)c1OC[*:1])CN(C)Cc1nccs1
Cc1cc(CN(C)Cc2nccs2)cc(C)c1OCc1ccccn1 CN(Cc1nccs1)[*:1] Cc1cc(cc(C)c1OCc1ccccn1)C[*:1]
Cc1cc(CN(C)Cc2nccs2)cc(C)c1OCc1ccccn1 c1ccc(CO[*:1])nc1 Cc1cc(cc(C)c1[*:1])CN(C)Cc1nccs1
Cc1cc(CN(C)Cc2nccs2)cc(C)c1OCc1ccccn1 c1ccc(C[*:1])nc1 Cc1cc(cc(C)c1O[*:1])CN(C)Cc1nccs1
Cc1cc(CN(C)Cc2nccs2)cc(C)c1OCc1ccccn1 c1csc(n1)[*:1] Cc1cc(cc(C)c1OCc1ccccn1)CN(C)C[*:1]
Cc1cc(CN(C)Cc2nccs2)cc(C)c1OCc1ccccn1 c1csc(C[*:1])n1 Cc1cc(cc(C)c1OCc1ccccn1)CN(C)[*:1]
CNC(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CNC(=S)NC(=O)/C=C/c1ccc(cc1)[*:1]
C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1cn(C)nc1C C=CCCO[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](C)[*:1]
C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1cn(C)nc1C C=CCC[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](C)O[*:1]
C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1cn(C)nc1C C=CC[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](C)OC[*:1]
Nc1cccc2oc(-n3cc(-c4ccccc4)cn3)nc12 c1ccc(cc1)[*:1] Nc1cccc2oc(nc12)-n1cc(cn1)[*:1]
Cc1cc(C)nc(-n2nc(C)c(CC(=O)N[C@H](c3ccccc3)C3CCCC3)c2C)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(CC(=O)N[C@H](C2CCCC2)[*:1])c1C
Cc1cc(C)nc(-n2nc(C)c(CC(=O)N[C@H](c3ccccc3)C3CCCC3)c2C)n1 Cc1cc(C)nc(n1)[*:1] Cc1nn(c(C)c1CC(=O)N[C@H](c1ccccc1)C1CCCC1)[*:1]
Cc1cc(C)nc(-n2nc(C)c(CC(=O)N[C@H](c3ccccc3)C3CCCC3)c2C)n1 C1CCC(C1)[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(CC(=O)N[C@H](c2ccccc2)[*:1])c1C
C[C@H]1CC(C(=O)NCc2cccnc2OCc2ccccc2)C[C@H](C)O1 c1ccc(cc1)CO[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1cccnc1[*:1]
C[C@H]1CC(C(=O)NCc2cccnc2OCc2ccccc2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1cccnc1OC[*:1]
C[C@H]1CC(C(=O)NCc2cccnc2OCc2ccccc2)C[C@H](C)O1 c1ccc(cc1)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1cccnc1O[*:1]
CC[C@H](C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O CC[C@H](C)[*:1] O=C1[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1[*:1]
CCC[C@@H]([NH3+])C(=O)NC1COC1 CCC[*:1] [NH3+][C@@H](C(=O)NC1COC1)[*:1]
CCC[C@@H]([NH3+])C(=O)NC1COC1 C1OCC1[*:1] CCC[C@@H]([NH3+])C(=O)N[*:1]
COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccccc3Cl)C[C@H]21 Clc1ccccc1[*:1] COc1cccc2c1OC1(CCN(CC1)C(C)=O)N1N=C(C[C@H]21)[*:1]
CC[C@H](C)CN(CC)c1c(N)c[nH+]c2ccc(Br)cc12 CC[C@H](C)[*:1] CCN(C[*:1])c1c(N)c[nH+]c2ccc(Br)cc12
CC[C@H](C)CN(CC)c1c(N)c[nH+]c2ccc(Br)cc12 CC[C@H](C)C[*:1] CCN(c1c(N)c[nH+]c2ccc(Br)cc12)[*:1]
Cc1cc(C)n2c(C[NH+]3CCC(Nc4ccccc4F)CC3)cnc2n1 Fc1ccccc1N[*:1] Cc1cc(C)n2c(cnc2n1)C[NH+]1CCC(CC1)[*:1]
Cc1cc(C)n2c(C[NH+]3CCC(Nc4ccccc4F)CC3)cnc2n1 Fc1ccccc1[*:1] Cc1cc(C)n2c(cnc2n1)C[NH+]1CCC(CC1)N[*:1]
O=C(CSC1=NN[C@@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(F)cc1)N1CCCc2ccccc21 Fc1ccc(cc1)[*:1] O=C(CSC1=NN[C@@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1[*:1])N1CCCc2ccccc21
N#Cc1cc(NC(=O)CSCC(F)(F)F)ccc1F FC(F)(F)CS[*:1] N#Cc1cc(ccc1F)NC(=O)C[*:1]
N#Cc1cc(NC(=O)CSCC(F)(F)F)ccc1F FC(F)(F)[*:1] N#Cc1cc(ccc1F)NC(=O)CSC[*:1]
N#Cc1cc(NC(=O)CSCC(F)(F)F)ccc1F FC(F)(F)C[*:1] N#Cc1cc(ccc1F)NC(=O)CS[*:1]
Cc1cnc(CCNC(=O)COc2ccccc2F)s1 Cc1cnc(s1)[*:1] O=C(COc1ccccc1F)NCC[*:1]
CCCCn1nnnc1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 O=[N+]([O-])[*:1] CCCCn1nnnc1Cn1cc(cn1)-c1ccc(cc1)[*:1]
CCCCn1nnnc1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 CCC[*:1] O=[N+]([O-])c1ccc(cc1)-c1cnn(c1)Cc1nnnn1C[*:1]
CCCCn1nnnc1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 CCCC[*:1] O=[N+]([O-])c1ccc(cc1)-c1cnn(c1)Cc1nnnn1[*:1]
CCCn1ncnc1C[C@@H]([NH2+]C)c1ncc(Cl)cc1Cl CCC[*:1] C[NH2+][C@H](Cc1ncnn1[*:1])c1ncc(Cl)cc1Cl
CNC(=O)[C@@H](C)CN(C)C(=O)c1oc2ccccc2c1C[NH+](C)C CNC(=O)[C@@H](C)[*:1] CN(C[*:1])C(=O)c1oc2ccccc2c1C[NH+](C)C
CNC(=O)[C@@H](C)CN(C)C(=O)c1oc2ccccc2c1C[NH+](C)C CNC(=O)[C@@H](C)C[*:1] CN(C(=O)c1oc2ccccc2c1C[NH+](C)C)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1oc2ccccc2c1C[NH+](C)C CNC(=O)[*:1] C[C@@H](CN(C)C(=O)c1oc2ccccc2c1C[NH+](C)C)[*:1]
O=C([O-])[C@@H]1CSCN1C(=O)CN1C(=O)CNC1=O O=C([O-])[*:1] O=C1CNC(=O)N1CC(=O)N1CSC[C@H]1[*:1]
COc1ccc(F)c(NC(=O)C(=O)Nc2cn[nH]c2)c1 c1n[nH]cc1[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)N[*:1]
CCC(=O)Cn1nnnc1Cc1ccc(Br)cc1 CCC(=O)[*:1] Brc1ccc(cc1)Cc1nnnn1C[*:1]
CCC(=O)Cn1nnnc1Cc1ccc(Br)cc1 CCC(=O)C[*:1] Brc1ccc(cc1)Cc1nnnn1[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)Nc2cccc3ncccc23)n1 c1cc(c2cccnc2c1)[*:1] COc1ccc(Cl)cc1-c1n[nH]c(n1)S[C@H](C)C(=O)N[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)Nc2cccc3ncccc23)n1 COc1ccc(Cl)cc1[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)Nc1cccc2ncccc12
COC[C@H](C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CC[NH2+]CC1 COC[C@H](C)NC(=O)[*:1] c1c(noc1CC1(CC[NH2+]CC1)[*:1])[C@@H]1CCOC1
COC[C@H](C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CC[NH2+]CC1 C1C[C@H](CO1)[*:1] COC[C@H](C)NC(=O)C1(CC[NH2+]CC1)Cc1cc(no1)[*:1]
COC[C@H](C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CC[NH2+]CC1 COC[C@H](C)[*:1] O=C(N[*:1])C1(CC[NH2+]CC1)Cc1cc(no1)[C@@H]1CCOC1
COC[C@H](C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CC[NH2+]CC1 COC[*:1] C[C@H](NC(=O)C1(CC[NH2+]CC1)Cc1cc(no1)[C@@H]1CCOC1)[*:1]
Cc1ccc(Cl)c(OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)c1 C1CCC(CC1)[*:1] Cc1ccc(Cl)c(c1)OCC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(Cl)c(OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)c1 Cc1ccc(Cl)c(c1)[*:1] O=C(CO[*:1])N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1
CC(C)c1nnnn1CC(=O)NCc1ccccc1F CC(C)[*:1] O=C(Cn1nnnc1[*:1])NCc1ccccc1F
CCc1cc(C(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)on1 CN(C)[*:1] CCc1cc(on1)C(=O)N1CC[C@@H](C1)c1cc(O)nc(n1)[*:1]
CCc1cc(C(=O)N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)on1 CCc1cc(on1)[*:1] CN(C)c1nc(O)cc(n1)[C@H]1CCN(C1)C(=O)[*:1]
Cc1ccc(CNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 Cc1ccc(cc1)C[*:1] O=C(COc1ccccc1-c1nnc(o1)-c1ccccc1)N[*:1]
Cc1ccc(CNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccccc1-c1nnc(o1)-c1ccccc1)NC[*:1]
Cc1ccc(CNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)COc1ccccc1-c1nnc(o1)[*:1]
CN(CC1=NC(=O)C2=C(c3ccc(Cl)cc3)CSC2=N1)Cc1ccccc1Cl Clc1ccccc1C[*:1] CN(CC1=NC(=O)C2C(=N1)SCC=2c1ccc(Cl)cc1)[*:1]
CN(CC1=NC(=O)C2=C(c3ccc(Cl)cc3)CSC2=N1)Cc1ccccc1Cl Clc1ccc(cc1)[*:1] CN(CC1=NC(=O)C2C(=N1)SCC=2[*:1])Cc1ccccc1Cl
CN(CC1=NC(=O)C2=C(c3ccc(Cl)cc3)CSC2=N1)Cc1ccccc1Cl Clc1ccccc1[*:1] CN(CC1=NC(=O)C2C(=N1)SCC=2c1ccc(Cl)cc1)C[*:1]
O=C(COc1ccc2nccnc2c1)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(COc1ccc2nccnc2c1)N[C@@H](c1ccccc1)[*:1]
O=C(COc1ccc2nccnc2c1)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(COc1ccc2nccnc2c1)N[C@@H](C1CC1)[*:1]
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 COc1ccc(F)cc1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccs2)N1CCN1CCOCC1
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 c1csc(c1)[*:1] COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1[*:1]
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 C1CN(CCO1)CC[*:1] COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccs1)[*:1]
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 C1CN(CCO1)[*:1] COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1cccs1
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 C1CN(CCO1)C[*:1] COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccs1
COCCS[C@@H](C)[C@H](C)C(=O)NN COCC[*:1] C[C@H](S[*:1])[C@H](C)C(=O)NN
COCCS[C@@H](C)[C@H](C)C(=O)NN COC[*:1] C[C@H](SC[*:1])[C@H](C)C(=O)NN
COCCS[C@@H](C)[C@H](C)C(=O)NN NNC(=O)[*:1] COCCS[C@@H](C)[C@H](C)[*:1]
CCCn1nc(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)ccc1=O C[C@H]1CCCN(C1)C(=O)[*:1] CCCn1nc(ccc1=O)C(=O)N1CCC(CC1)[*:1]
CCCn1nc(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)ccc1=O CCC[*:1] C[C@H]1CCCN(C1)C(=O)C1CCN(CC1)C(=O)c1ccc(=O)n(n1)[*:1]
CC[C@@H](NC(=O)N1CC[C@H]([NH+](CC)CC)C1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H](NC(=O)N1CC[C@@H](C1)[NH+](CC)CC)[*:1]
CC(C)C[C@H](O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC(C)C[C@H](O)[C@H]1CCC[C@H](C1)[*:1]
CC(C)C[C@H](O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[C@@H](O)C[*:1]
CC(C)C[C@H](O)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)C[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[C@@H](O)[*:1]
CC(C)N(C(=O)C[NH+]1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1)C(C)C CC(C)N(C(=O)[*:1])C(C)C Cn1nc(C2CC[NH+](CC2)C[*:1])n(c1=O)C1CCCC1
CC(C)N(C(=O)C[NH+]1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1)C(C)C C1CCC(C1)[*:1] CC(C)N(C(=O)C[NH+]1CCC(CC1)c1nn(C)c(=O)n1[*:1])C(C)C
CC(C)N(C(=O)C[NH+]1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1)C(C)C CC(C)[*:1] CC(C)N(C(=O)C[NH+]1CCC(CC1)c1nn(C)c(=O)n1C1CCCC1)[*:1]
O=C(c1cncc(Br)c1)N1CCN(c2cccc[nH+]2)CC1 Brc1cncc(c1)[*:1] O=C(N1CCN(CC1)c1cccc[nH+]1)[*:1]
O=C(Cn1cnc2ccccc21)N1CCN(C[C@H](O)C2CC2)CC1 O[C@@H](C[*:1])C1CC1 O=C(Cn1cnc2ccccc21)N1CCN(CC1)[*:1]
O=C(Cn1cnc2ccccc21)N1CCN(C[C@H](O)C2CC2)CC1 C1CC1[*:1] O=C(Cn1cnc2ccccc21)N1CCN(CC1)C[C@H](O)[*:1]
Cn1c(CSCc2csc(-c3ccccc3F)n2)nnc1C1CC1 C1CC1[*:1] Cn1c(CSCc2csc(n2)-c2ccccc2F)nnc1[*:1]
Cn1c(CSCc2csc(-c3ccccc3F)n2)nnc1C1CC1 Fc1ccccc1[*:1] Cn1c(CSCc2csc(n2)[*:1])nnc1C1CC1
O=C(NCc1ccc2c(c1)OCCCO2)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(C[*:1])n1 O=C(NCc1ccc2OCCCOc2c1)N[C@@H](c1ccccc1)[*:1]
O=C(NCc1ccc2c(c1)OCCCO2)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(n1)[*:1] O=C(NCc1ccc2OCCCOc2c1)N[C@@H](C[*:1])c1ccccc1
O=C(NCc1ccc2c(c1)OCCCO2)N[C@@H](Cn1cncn1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc2OCCCOc2c1)N[C@@H](Cn1cncn1)[*:1]
CCC[NH2+]Cc1ccnn1C[C@@H]1C[C@H]2CC[C@@H]1C2 CCC[*:1] c1cc(C[NH2+][*:1])n(C[C@@H]2C[C@H]3CC[C@@H]2C3)n1
Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c(C)cccc2C)s1 Cc1ccc(s1)[*:1] Cc1cccc(C)c1C[NH2+]CCNS(=O)(=O)[*:1]
O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc(Cl)c2c(c1)OCCCO2 Clc1ccccc1[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1cc(Cl)c2OCCCOc2c1
O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cc(Cl)c2c(c1)OCCCO2 C1CN(CCO1)[*:1] O=C(NC[C@H](c1ccccc1Cl)[*:1])c1cc(Cl)c2OCCCOc2c1
CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 CCOc1ccccc1[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)N1CCOCC1
CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 CCO[*:1] O=C(NCc1ccccc1[*:1])[C@@H]1CCCN(C1)S(=O)(=O)N1CCOCC1
Cc1nc(NC(=O)c2cnc3ccccc3n2)sc1-c1nccn1C Cn1ccnc1[*:1] Cc1nc(NC(=O)c2cnc3ccccc3n2)sc1[*:1]
Cc1cccc(C)c1N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O Cc1cccc(C)c1[*:1] CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)[*:1]
Cc1cccc(C)c1N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O Clc1cccc(c1)[*:1] Cc1cccc(C)c1N(CC(=O)N[*:1])S(C)(=O)=O
CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H](C)c1cccc(c1)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 CNC(=O)[*:1] CC(C)C[C@@H](NC(=O)N[C@H](C)c1cccc(c1)-n1ccnc1)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NC(=O)N[C@H](C)c1cccc(c1)-n1ccnc1
CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 CC(C)C[*:1] CNC(=O)[C@@H](NC(=O)N[C@H](C)c1cccc(c1)-n1ccnc1)[*:1]
CCOC(=O)C1CCN(C(=O)c2ccc(-c3ccsc3)nc2)CC1 c1cc(cs1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)c1ccc(nc1)[*:1]
CCOC(=O)C1CCN(C(=O)c2ccc(-c3ccsc3)nc2)CC1 CCOC(=O)[*:1] O=C(c1ccc(nc1)-c1ccsc1)N1CCC(CC1)[*:1]
C[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)C(C)(C)C CC(C)(C)[*:1] C[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)[*:1]
C[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)C(C)(C)C CC(C)(C)[*:1] C[C@H](CC(=O)N[C@H](C#N)[*:1])C(C)(C)C
COc1c2c(cc3c1[C@H](CC(=O)Cc1ccccc1)N(C)CC3)OCO2 c1ccc(cc1)[*:1] COc1c2OCOc2cc2CCN(C)[C@@H](CC(=O)C[*:1])c21
COc1c2c(cc3c1[C@H](CC(=O)Cc1ccccc1)N(C)CC3)OCO2 c1ccc(cc1)C[*:1] COc1c2OCOc2cc2CCN(C)[C@@H](CC(=O)[*:1])c21
CS(=O)(=O)[N-]c1ccc(O)c(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1 Clc1ccc(cc1)[*:1] CS(=O)(=O)[N-]c1ccc(O)c(c1)C(=O)N(C[*:1])C1CC1
CS(=O)(=O)[N-]c1ccc(O)c(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1 C1CC1[*:1] CS(=O)(=O)[N-]c1ccc(O)c(c1)C(=O)N(Cc1ccc(Cl)cc1)[*:1]
CS(=O)(=O)[N-]c1ccc(O)c(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1 Clc1ccc(cc1)C[*:1] CS(=O)(=O)[N-]c1ccc(O)c(c1)C(=O)N(C1CC1)[*:1]
Cc1ccc(SC2=C(Nc3ccc(C)c(C)c3)C(=O)NC2=O)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)SC1C(=O)NC(=O)C=1N[*:1]
Cc1ccc(SC2=C(Nc3ccc(C)c(C)c3)C(=O)NC2=O)cc1 Cc1ccc(cc1)S[*:1] Cc1ccc(cc1C)NC1C(=O)NC(=O)C=1[*:1]
Cc1ccc(SC2=C(Nc3ccc(C)c(C)c3)C(=O)NC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC1C(=O)NC(=O)C=1S[*:1]
O=C(CCCSc1ncnc2sccc12)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCCSc1ncnc2sccc12)[*:1]
CCC[C@@H]1C[C@](O)([C@@H]2CCOC3(CCC3)C2)CCO1 CCC[*:1] O[C@]1(CCO[C@@H](C1)[*:1])[C@@H]1CCOC2(CCC2)C1
C[C@@H](O)C[C@@H](C)CNC(=O)N[C@@H]1CCc2c(O)cccc21 C[C@@H](O)[*:1] C[C@@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)C[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)N[C@@H]1CCc2c(O)cccc21 C[C@@H](O)C[C@@H](C)C[*:1] O=C(N[C@@H]1CCc2c(O)cccc21)N[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)N[C@@H]1CCc2c(O)cccc21 C[C@@H](O)C[C@@H](C)[*:1] O=C(NC[*:1])N[C@@H]1CCc2c(O)cccc21
C[C@@H](O)C[C@@H](C)CNC(=O)N[C@@H]1CCc2c(O)cccc21 C[C@@H](O)C[*:1] C[C@@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)[*:1]
CCOc1ccc(-n2nnnc2CNC(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1nnnc1CNC(=O)[*:1]
CCOc1ccc(-n2nnnc2CNC(=O)c2ccc(F)cc2)cc1 CCO[*:1] O=C(NCc1nnnn1-c1ccc(cc1)[*:1])c1ccc(F)cc1
CCCCc1cc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)[nH]n1 C1CC1[*:1] CCCCc1cc(NC(=O)c2ccc(cc2)-c2nc(no2)[*:1])[nH]n1
CCCCc1cc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)[nH]n1 C1CC1c1noc(n1)[*:1] CCCCc1cc(NC(=O)c2ccc(cc2)[*:1])[nH]n1
CCCCc1cc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)[nH]n1 CCCC[*:1] O=C(Nc1cc(n[nH]1)[*:1])c1ccc(cc1)-c1nc(no1)C1CC1
CCCCc1cc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)[nH]n1 CCC[*:1] O=C(Nc1cc(C[*:1])n[nH]1)c1ccc(cc1)-c1nc(no1)C1CC1
CC[NH+]1CCN(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1 C[C@H]1CN(CCO1)[*:1] CC[NH+]1CCN(CC1)C(=O)NCc1ccc([nH+]c1)[*:1]
C[C@H](CO)NC(=O)Nc1cccc(NC(=O)c2cccs2)c1 C[C@H](CO)[*:1] O=C(Nc1cccc(c1)NC(=O)c1cccs1)N[*:1]
C[C@H](CO)NC(=O)Nc1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] C[C@H](CO)NC(=O)Nc1cccc(c1)NC(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(CC1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C([C@H]1CCCN1S(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1
COc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)c(F)c2)cc1 COc1ccc(cc1)[*:1] NC(=O)[C@@H]1CCCN1C(=O)c1ccc(cc1F)[*:1]
COc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)c(F)c2)cc1 NC(=O)[*:1] COc1ccc(cc1)-c1ccc(C(=O)N2CCC[C@@H]2[*:1])c(F)c1
CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1nnc2n1CCC2 CC(C)[*:1] O=C(NCc1nnc2CCCn21)[C@H]1CCCN1C(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)[C@H]1CCC(=O)N1)[*:1]
Cn1nnnc1SCC(=O)O[C@H]1CC[C@@H]2CCCC[C@@H]2C1 Cn1nnnc1S[*:1] O=C(C[*:1])O[C@H]1CC[C@@H]2CCCC[C@@H]2C1
Cn1nnnc1SCC(=O)O[C@H]1CC[C@@H]2CCCC[C@@H]2C1 Cn1nnnc1[*:1] O=C(CS[*:1])O[C@H]1CC[C@@H]2CCCC[C@@H]2C1
Cc1cccc([S@@](=O)CCC(=O)Nc2cc(F)cc(F)c2)c1 Cc1cccc(c1)[*:1] O=C(CC[S@](=O)[*:1])Nc1cc(F)cc(F)c1
C[NH+](C)CCN1C(=O)C[C@](CC(=O)N2CCCCCCC2)(c2cccc(F)c2)C1=O O=C(N1CCCCCCC1)[*:1] C[NH+](C)CCN1C(=O)C[C@@](C[*:1])(C1=O)c1cccc(F)c1
C[NH+](C)CCN1C(=O)C[C@](CC(=O)N2CCCCCCC2)(c2cccc(F)c2)C1=O Fc1cccc(c1)[*:1] C[NH+](C)CCN1C(=O)C[C@](CC(=O)N2CCCCCCC2)(C1=O)[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)N(CCO)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)N(CCO)[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)N(CCO)C[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)N(CCO)Cc1ccccc1 OCC[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)N(Cc1ccccc1)[*:1]
CSc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 CSc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(cc1)-c1cc[nH]n1
CSc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 c1cc(n[nH]1)[*:1] CSc1ccc(cc1)O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
COC[C@@H]1OC[C@@]2(C)[C@H]3CC[C@@H](O)[C@@H](CC(=O)N4CCOCC4)[C@@]3(C)CC[C@H]2O1 O=C(C[*:1])N1CCOCC1 COC[C@@H]1OC[C@@]2(C)[C@H]3CC[C@@H](O)[C@@H]([C@@]3(C)CC[C@H]2O1)[*:1]
COC[C@@H]1OC[C@@]2(C)[C@H]3CC[C@@H](O)[C@@H](CC(=O)N4CCOCC4)[C@@]3(C)CC[C@H]2O1 O=C(N1CCOCC1)[*:1] COC[C@@H]1OC[C@@]2(C)[C@H]3CC[C@@H](O)[C@@H](C[*:1])[C@@]3(C)CC[C@H]2O1
COC[C@@H]1OC[C@@]2(C)[C@H]3CC[C@@H](O)[C@@H](CC(=O)N4CCOCC4)[C@@]3(C)CC[C@H]2O1 COC[*:1] C[C@]12CC[C@H]3O[C@@H](OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)N1CCOCC1)[*:1]
COc1ccc2c(CC(=O)N(C)CCOc3ccc(F)cc3)coc2c1 Fc1ccc(cc1)O[*:1] COc1ccc2c(coc2c1)CC(=O)N(C)CC[*:1]
COc1ccc2c(CC(=O)N(C)CCOc3ccc(F)cc3)coc2c1 Fc1ccc(cc1)[*:1] COc1ccc2c(coc2c1)CC(=O)N(C)CCO[*:1]
COc1ccc(NC(=O)[C@H]([NH2+]Cc2cccs2)c2ccccc2)cc1Cl c1csc(c1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@H]([NH2+]C[*:1])c1ccccc1
COc1ccc(NC(=O)[C@H]([NH2+]Cc2cccs2)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@H]([NH2+]Cc1cccs1)[*:1]
O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1n[nH]c2ccccc12 C1CO[C@@H](C1)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1n[nH]c2ccccc12
COc1ccccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 O=C([O-])[*:1] COc1ccccc1C(=O)Nc1sc2CCCCc2c1[*:1]
Cc1csc2c(C3CCN(C(=O)c4ccnn4C)CC3)[nH+]c(C)n12 Cn1nccc1[*:1] Cc1csc2c([nH+]c(C)n12)C1CCN(CC1)C(=O)[*:1]
[NH3+]CCn1ccc(-c2cccc([N+](=O)[O-])c2)n1 [NH3+]CC[*:1] O=[N+]([O-])c1cccc(c1)-c1ccn(n1)[*:1]
[NH3+]CCn1ccc(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] [NH3+]CCn1ccc(n1)-c1cccc(c1)[*:1]
CCOc1ccc(CC(=O)Nc2cc(C)nn2-c2ccc(C)nn2)cc1 CCO[*:1] Cc1ccc(nn1)-n1nc(C)cc1NC(=O)Cc1ccc(cc1)[*:1]
CCOc1ccc(CC(=O)Nc2cc(C)nn2-c2ccc(C)nn2)cc1 Cc1ccc(nn1)[*:1] CCOc1ccc(cc1)CC(=O)Nc1cc(C)nn1[*:1]
CCC(O)(CC)CNC(=O)c1cccc(-c2nnc(C)o2)c1 CCC(O)(CC)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NC[*:1]
CCC(O)(CC)CNC(=O)c1cccc(-c2nnc(C)o2)c1 CCC(O)(CC)C[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)N[*:1]
CCC(O)(CC)CNC(=O)c1cccc(-c2nnc(C)o2)c1 Cc1nnc(o1)[*:1] CCC(O)(CC)CNC(=O)c1cccc(c1)[*:1]
Cc1ccc(C)c(C(=O)CSc2nnnn2C2CC2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)C(=O)CSc1nnnn1[*:1]
Cc1cc(CS[C@H](C)C(=O)Nc2cc(F)ccc2C)on1 Cc1cc(on1)[*:1] Cc1ccc(F)cc1NC(=O)[C@@H](C)SC[*:1]
Cc1cc(CS[C@H](C)C(=O)Nc2cc(F)ccc2C)on1 Cc1cc(C[*:1])on1 Cc1ccc(F)cc1NC(=O)[C@@H](C)S[*:1]
COc1ccc(OC)c(CN2C(=O)CC[C@]2(C)C(=O)NC2CCCCCC2)c1 C1CCCC(CC1)[*:1] COc1ccc(OC)c(c1)CN1C(=O)CC[C@]1(C)C(=O)N[*:1]
Cc1cc(C)n2ncc(C(=O)Nc3ccccc3OC(F)F)c2n1 FC(F)O[*:1] Cc1cc(C)n2ncc(C(=O)Nc3ccccc3[*:1])c2n1
Cc1cc(C)n2ncc(C(=O)Nc3ccccc3OC(F)F)c2n1 FC(F)[*:1] Cc1cc(C)n2ncc(C(=O)Nc3ccccc3O[*:1])c2n1
Cn1c(CNC(=O)c2ncccc2C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] Cn1c(CNC(=O)c2ncccc2[*:1])nc2ccccc21
CC(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1ccc(cc1)[*:1]
CC(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1ccc(C(C)(C)C)cc1 CC(=O)[*:1] CC(C)(C)c1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1CC[NH+]1CCCC1)[*:1]
Cc1ccccc1C(=O)NCCC(=O)N(C)[C@H](C)Cc1cccs1 Cc1ccccc1[*:1] C[C@H](Cc1cccs1)N(C)C(=O)CCNC(=O)[*:1]
Cc1ccccc1C(=O)NCCC(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] Cc1ccccc1C(=O)NCCC(=O)N(C)[C@H](C)C[*:1]
Cc1ccccc1C(=O)NCCC(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] Cc1ccccc1C(=O)NCCC(=O)N(C)[C@H](C)[*:1]
O=C(Cc1ccon1)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(Cc1ccon1)N[C@H]1CCCC[C@@H]1O[*:1]
O=C(Cc1ccon1)N[C@H]1CCCC[C@@H]1OC1CCCC1 c1cc(C[*:1])no1 O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
O=C(Cc1ccon1)N[C@H]1CCCC[C@@H]1OC1CCCC1 c1cc(no1)[*:1] O=C(C[*:1])N[C@H]1CCCC[C@@H]1OC1CCCC1
O=C(Cc1ccon1)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(Cc1ccon1)N[C@H]1CCCC[C@H]1[*:1]
O=[N+]([O-])c1cc(F)ccc1Sc1nc(-c2ccccc2)c[nH]1 O=[N+]([O-])[*:1] Fc1ccc(Sc2nc(c[nH]2)-c2ccccc2)c(c1)[*:1]
O=[N+]([O-])c1cc(F)ccc1Sc1nc(-c2ccccc2)c[nH]1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(F)ccc1Sc1nc(c[nH]1)[*:1]
N#CCNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 N#CCNC(=O)C[*:1] O=S(=O)(NCC[*:1])c1ccc2CCCCc2c1
N#CCNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 N#CCNC(=O)[*:1] O=S(=O)(NCCC[*:1])c1ccc2CCCCc2c1
N#CCNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 N#CC[*:1] O=C(CCCNS(=O)(=O)c1ccc2CCCCc2c1)N[*:1]
O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 Clc1cccc(c1)[*:1] O=C(Nc1cccc(c1)-c1nnc2CCCCCn21)N[*:1]
C[C@H](CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1F Fc1ccccc1[*:1] C[C@H](CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[*:1]
C[C@H](CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1F c1ccc(cc1)[*:1] C[C@H](CC(=O)N1CCC[C@H]1[C@@H](C#N)[*:1])c1ccccc1F
CC(C)NC(=O)c1cccc2c1CCCN2Cc1nc(-c2ccc(Cl)cc2)no1 CC(C)NC(=O)[*:1] Clc1ccc(cc1)-c1noc(CN2CCCc3c2cccc3[*:1])n1
CC(C)NC(=O)c1cccc2c1CCCN2Cc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CC(C)NC(=O)c1cccc2c1CCCN2Cc1nc(no1)[*:1]
CC(C)NC(=O)c1cccc2c1CCCN2Cc1nc(-c2ccc(Cl)cc2)no1 CC(C)[*:1] O=C(N[*:1])c1cccc2c1CCCN2Cc1nc(no1)-c1ccc(Cl)cc1
Cc1csc(NC(=O)C2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)n1 Cc1csc(n1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)Cc1n[nH]c(=O)c2ccccc12
Cc1csc(NC(=O)C2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)n1 Cc1csc(n1)NC(=O)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC(CC1)[*:1]
CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 CCO[*:1] O=C(Nc1ccc(F)cc1F)c1ccc(cc1)[*:1]
Cn1c(SCCOc2ccc(S(N)(=O)=O)cc2)nc2sccc2c1=O NS(=O)(=O)[*:1] Cn1c(nc2sccc2c1=O)SCCOc1ccc(cc1)[*:1]
CS(=O)(=O)[N-]c1cccc(C(=O)N(CC2CC2)c2ccccc2)c1 C1CC1C[*:1] CS(=O)(=O)[N-]c1cccc(c1)C(=O)N(c1ccccc1)[*:1]
CS(=O)(=O)[N-]c1cccc(C(=O)N(CC2CC2)c2ccccc2)c1 c1ccc(cc1)[*:1] CS(=O)(=O)[N-]c1cccc(c1)C(=O)N(CC1CC1)[*:1]
CS(=O)(=O)[N-]c1cccc(C(=O)N(CC2CC2)c2ccccc2)c1 C1CC1[*:1] CS(=O)(=O)[N-]c1cccc(c1)C(=O)N(C[*:1])c1ccccc1
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCC#N)cc3)n2)cc1 N#CCO[*:1] COc1ccc(cc1)-c1csc(n1)/C(C#N)=C\c1ccc(cc1)[*:1]
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCC#N)cc3)n2)cc1 N#CC[*:1] COc1ccc(cc1)-c1csc(n1)/C(C#N)=C\c1ccc(cc1)O[*:1]
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCC#N)cc3)n2)cc1 COc1ccc(cc1)[*:1] N#CCOc1ccc(/C=C(/C#N)c2nc(cs2)[*:1])cc1
CC(=O)Nc1ccc(C)c(NC(=O)N2CCCSCC2)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)N1CCCSCC1)[*:1]
CCc1c([N+](=O)[O-])cc(C(=O)[O-])n1C O=C([O-])[*:1] CCc1c(cc(n1C)[*:1])[N+](=O)[O-]
CCc1c([N+](=O)[O-])cc(C(=O)[O-])n1C O=[N+]([O-])[*:1] CCc1c(cc(C(=O)[O-])n1C)[*:1]
O=C(NCc1ccco1)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 c1coc(c1)[*:1] O=C(NC[*:1])c1ccc(cc1)CN1CC(=O)N2CCC[C@H]2C1=O
O=C(NCc1ccco1)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 c1coc(c1)C[*:1] O=C(N[*:1])c1ccc(cc1)CN1CC(=O)N2CCC[C@H]2C1=O
O=C(NCc1ccco1)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 O=C(NCc1ccco1)[*:1] O=C1[C@@H]2CCCN2C(=O)CN1Cc1ccc(cc1)[*:1]
O=C1CCCCCN1CC(=O)N(Cc1cccnc1)Cc1ccco1 c1coc(c1)C[*:1] O=C1CCCCCN1CC(=O)N(Cc1cccnc1)[*:1]
O=C1CCCCCN1CC(=O)N(Cc1cccnc1)Cc1ccco1 c1cncc(c1)[*:1] O=C1CCCCCN1CC(=O)N(Cc1ccco1)C[*:1]
O=C1CCCCCN1CC(=O)N(Cc1cccnc1)Cc1ccco1 c1coc(c1)[*:1] O=C1CCCCCN1CC(=O)N(Cc1cccnc1)C[*:1]
O=C1CCCCCN1CC(=O)N(Cc1cccnc1)Cc1ccco1 c1cncc(c1)C[*:1] O=C1CCCCCN1CC(=O)N(Cc1ccco1)[*:1]
O=C1CCCCCN1CC(=O)N(Cc1cccnc1)Cc1ccco1 O=C1CCCCCN1[*:1] O=C(C[*:1])N(Cc1cccnc1)Cc1ccco1
CN(CCNc1ncc(-c2cccc(F)c2)c(-c2[nH+]ccn2C)n1)c1ccccc1 Fc1cccc(c1)[*:1] CN(CCNc1ncc(c(n1)-c1[nH+]ccn1C)[*:1])c1ccccc1
CN(CCNc1ncc(-c2cccc(F)c2)c(-c2[nH+]ccn2C)n1)c1ccccc1 CN(c1ccccc1)[*:1] Cn1cc[nH+]c1-c1nc(ncc1-c1cccc(F)c1)NCC[*:1]
CN(CCNc1ncc(-c2cccc(F)c2)c(-c2[nH+]ccn2C)n1)c1ccccc1 CN(CC[*:1])c1ccccc1 Cn1cc[nH+]c1-c1nc(ncc1-c1cccc(F)c1)N[*:1]
CN(CCNc1ncc(-c2cccc(F)c2)c(-c2[nH+]ccn2C)n1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCNc1ncc(-c2cccc(F)c2)c(n1)-c1[nH+]ccn1C)[*:1]
CN(CCNc1ncc(-c2cccc(F)c2)c(-c2[nH+]ccn2C)n1)c1ccccc1 CN(C[*:1])c1ccccc1 Cn1cc[nH+]c1-c1nc(ncc1-c1cccc(F)c1)NC[*:1]
C[C@H](O)CCC(=O)NCc1nc[nH]n1 C[C@H](O)C[*:1] O=C(C[*:1])NCc1nc[nH]n1
C[C@H](O)CCC(=O)NCc1nc[nH]n1 C[C@H](O)[*:1] O=C(CC[*:1])NCc1nc[nH]n1
Cc1ccc(N)cc1NC(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1ccc(N)cc1NC(=O)c1ccc(cc1)[*:1]
O=C(c1cn[nH]c1-c1cccc(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 Clc1cccc(c1)[*:1] O=C(c1cn[nH]c1[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(c1cn[nH]c1-c1cccc(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cn[nH]c1-c1cccc(Cl)c1)N1CCN(CC1)[*:1]
COc1ccccc1C(=O)N(CCc1cccs1)C1CC1 c1csc(c1)C[*:1] COc1ccccc1C(=O)N(C[*:1])C1CC1
COc1ccccc1C(=O)N(CCc1cccs1)C1CC1 c1csc(c1)CC[*:1] COc1ccccc1C(=O)N(C1CC1)[*:1]
COc1ccccc1C(=O)N(CCc1cccs1)C1CC1 C1CC1[*:1] COc1ccccc1C(=O)N(CCc1cccs1)[*:1]
COc1ccccc1C(=O)N(CCc1cccs1)C1CC1 c1csc(c1)[*:1] COc1ccccc1C(=O)N(CC[*:1])C1CC1
COc1cc2c(cc1OC)C[NH+](Cn1nc(-c3ccc(Cl)cc3)n(C)c1=S)CC2 Clc1ccc(cc1)[*:1] COc1cc2CC[NH+](Cc2cc1OC)Cn1nc(n(C)c1=S)[*:1]
COc1ccc(CC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1 Fc1cc(ccc1Cl)[*:1] COc1ccc(cc1)CC(=O)N[C@@H]1CCO[C@H]1[*:1]
COc1ccc(CC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2scnc2C)CC1 Cc1ncsc1[*:1] CCn1c(C[NH+](C)C)nnc1C1CCN(CC1)C(=O)[*:1]
NC(=O)C[C@H](NS(=O)(=O)c1cccnc1)C1CCCCC1 NC(=O)[*:1] O=S(=O)(N[C@@H](C[*:1])C1CCCCC1)c1cccnc1
NC(=O)C[C@H](NS(=O)(=O)c1cccnc1)C1CCCCC1 NC(=O)C[*:1] O=S(=O)(N[C@H](C1CCCCC1)[*:1])c1cccnc1
NC(=O)C[C@H](NS(=O)(=O)c1cccnc1)C1CCCCC1 C1CCC(CC1)[*:1] NC(=O)C[C@H](NS(=O)(=O)c1cccnc1)[*:1]
NC(=O)C[C@H](NS(=O)(=O)c1cccnc1)C1CCCCC1 c1cncc(c1)[*:1] NC(=O)C[C@H](NS(=O)(=O)[*:1])C1CCCCC1
C[NH+](C)[C@@H](CNc1ncnc2sc3c(c12)CCCC3)c1ccccc1Cl Clc1ccccc1[*:1] C[NH+](C)[C@@H](CNc1ncnc2sc3CCCCc3c12)[*:1]
CCCCN(CC)C(=O)Cn1cnc2cccc(Br)c2c1=O CCC[*:1] CCN(C[*:1])C(=O)Cn1cnc2cccc(Br)c2c1=O
CCCCN(CC)C(=O)Cn1cnc2cccc(Br)c2c1=O CCCC[*:1] CCN(C(=O)Cn1cnc2cccc(Br)c2c1=O)[*:1]
Cc1c(C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)cnn1-c1ccccc1 Cn1ccnc1[*:1] Cc1c(cnn1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1S[*:1]
Cc1c(C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)cnn1-c1ccccc1 Cn1ccnc1S[*:1] Cc1c(cnn1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1[*:1]
Cc1c(C(=O)Nc2cc(Cl)ccc2Sc2nccn2C)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cc(Cl)ccc1Sc1nccn1C
C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1nncn1C c1ccc(cc1)C[*:1] C[C@H](NC(=O)N[C@@H](C[NH+](C)C)[*:1])c1nncn1C
C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1nncn1C c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H](C[NH+](C)C)C[*:1])c1nncn1C
C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1nncn1C C[C@H](c1nncn1C)[*:1] C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[*:1]
C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[*:1]
Cc1ccc(/C=C/CC(=O)Nc2cc(-n3nnnc3C)ccc2F)cc1 Cc1ccc(cc1)[*:1] Cc1nnnn1-c1ccc(F)c(c1)NC(=O)CC=C[*:1]
Cc1ccc(/C=C/CC(=O)Nc2cc(-n3nnnc3C)ccc2F)cc1 Cc1nnnn1[*:1] Cc1ccc(/C=C/CC(=O)Nc2cc(ccc2F)[*:1])cc1
CCC(CC)c1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)s1 c1ccc(cc1)[*:1] CCC(CC)c1nnc(NC(=O)[C@@H]2C[C@H]2[*:1])s1
CCC(CC)c1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)s1 CCC(CC)[*:1] O=C(Nc1nnc(s1)[*:1])[C@@H]1C[C@@H]1c1ccccc1
NC(=O)c1ccccc1C[NH2+]CC1CCCCC1 C1CCC(CC1)[*:1] NC(=O)c1ccccc1C[NH2+]C[*:1]
NC(=O)c1ccccc1C[NH2+]CC1CCCCC1 NC(=O)[*:1] c1ccc(c(c1)C[NH2+]CC1CCCCC1)[*:1]
CC(C)C(=O)N1CCC(NC(=O)N[C@H](C)CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CC(C)C(=O)N1CCC(CC1)NC(=O)N[C@H](C)[*:1]
CC(C)C(=O)N1CCC(NC(=O)N[C@H](C)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)C(=O)N1CCC(CC1)NC(=O)N[C@H](C)CC[*:1]
CC(C)C(=O)N1CCC(NC(=O)N[C@H](C)CCc2ccccc2)CC1 CC(C)[*:1] C[C@H](CCc1ccccc1)NC(=O)NC1CCN(CC1)C(=O)[*:1]
CC(C)C(=O)N1CCC(NC(=O)N[C@H](C)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)C(=O)N1CCC(CC1)NC(=O)N[C@H](C)C[*:1]
Cc1cccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)c1 Cc1cccc(c1)[*:1] O=C(COC(=O)[*:1])NCCc1ccc(Cl)cc1
Cc1cccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)OCC(=O)NCC[*:1]
CC(C)[C@@H](C)N(C(=O)N[C@H]1CCOc2ccccc21)C1CC1 C1CC1[*:1] CC(C)[C@@H](C)N(C(=O)N[C@H]1CCOc2ccccc21)[*:1]
CC(C)[C@@H](C)N(C(=O)N[C@H]1CCOc2ccccc21)C1CC1 CC(C)[C@@H](C)[*:1] O=C(N[C@H]1CCOc2ccccc21)N(C1CC1)[*:1]
CC(C)[C@@H](C)N(C(=O)N[C@H]1CCOc2ccccc21)C1CC1 CC(C)[*:1] C[C@@H](N(C(=O)N[C@H]1CCOc2ccccc21)C1CC1)[*:1]
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 Cc1ccc(cc1)[*:1] CC[C@@H](C[*:1])N(C)C(=O)Nc1cnn(c1)C[C@@H]1CCCO1
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cnn(c1)C[*:1]
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cnn(c1)[*:1]
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 Cc1ccc(cc1)C[*:1] CC[C@@H](N(C)C(=O)Nc1cnn(c1)C[C@@H]1CCCO1)[*:1]
CC(C)(C)[NH2+]CC(=O)NCCc1ccc(F)cc1 CC(C)(C)[*:1] O=C(C[NH2+][*:1])NCCc1ccc(F)cc1
COc1c(C)cnc(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1C O=[N+]([O-])[*:1] COc1c(C)cnc(CNC(=O)Nc2ccc(c(Cl)c2)[*:1])c1C
Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)on1 Cc1cc(on1)[*:1] CC(C)c1ccc(cc1S(=O)(=O)N1CCC2(CC1)OCCO2)[*:1]
Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)on1 CC(C)[*:1] Cc1cc(on1)-c1ccc(c(c1)S(=O)(=O)N1CCC2(CC1)OCCO2)[*:1]
CCOc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1 CCOc1ccc(cc1)[*:1] CC(C)(C)C(=O)Oc1ccc2C(=O)C(=C[*:1])Oc2c1
CCOc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1 CCO[*:1] CC(C)(C)C(=O)Oc1ccc2C(=O)/C(=C/c3ccc(cc3)[*:1])Oc2c1
CCOc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1 CC(C)(C)C(=O)O[*:1] CCOc1ccc(/C=C2\Oc3cc(ccc3C2=O)[*:1])cc1
CCOc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1 CC(C)(C)[*:1] CCOc1ccc(/C=C2\Oc3cc(ccc3C2=O)OC(=O)[*:1])cc1
CCN(CC)C(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)[O-])cc1 CCN(CC)C(=O)[*:1] C[C@@H](Oc1ccc(C=C(C#N)[*:1])cc1)C(=O)[O-]
CCN(CC)C(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)[O-])cc1 O=C([O-])[*:1] CCN(CC)C(=O)/C(C#N)=C\c1ccc(cc1)O[C@H](C)[*:1]
O=C(CCSCc1ccccc1)Nc1nc[nH]n1 c1ccc(cc1)[*:1] O=C(CCSC[*:1])Nc1nc[nH]n1
COc1cccc(C[NH+]2CCCN(c3nccs3)CC2)c1OC(F)F FC(F)O[*:1] COc1cccc(C[NH+]2CCCN(CC2)c2nccs2)c1[*:1]
COc1cccc(C[NH+]2CCCN(c3nccs3)CC2)c1OC(F)F FC(F)[*:1] COc1cccc(C[NH+]2CCCN(CC2)c2nccs2)c1O[*:1]
COc1cccc(C[NH+]2CCCN(c3nccs3)CC2)c1OC(F)F c1csc(n1)[*:1] COc1cccc(C[NH+]2CCCN(CC2)[*:1])c1OC(F)F
CCOC(=O)[C@]1(NCC2CC2)CC(C)(C)OC1(C)C C1CC1C[*:1] CCOC(=O)[C@@]1(CC(C)(C)OC1(C)C)N[*:1]
CCOC(=O)[C@]1(NCC2CC2)CC(C)(C)OC1(C)C C1CC1CN[*:1] CCOC(=O)[C@@]1(CC(C)(C)OC1(C)C)[*:1]
CCOC(=O)[C@]1(NCC2CC2)CC(C)(C)OC1(C)C C1CC1[*:1] CCOC(=O)[C@@]1(CC(C)(C)OC1(C)C)NC[*:1]
CCOC(=O)[C@]1(NCC2CC2)CC(C)(C)OC1(C)C CCOC(=O)[*:1] CC1(C)C[C@@](NCC2CC2)(C(C)(C)O1)[*:1]
Cc1ccsc1CN(C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 Cc1ccsc1C[*:1] CN(C(=O)Nc1ccc2nc(oc2c1)C1CC1)[*:1]
Cc1ccsc1CN(C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] Cc1ccsc1CN(C)C(=O)Nc1ccc2nc(oc2c1)[*:1]
Cc1ccsc1CN(C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 Cc1ccsc1[*:1] CN(C[*:1])C(=O)Nc1ccc2nc(oc2c1)C1CC1
CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2CCCCC2)cc1C C1CCC(CC1)[*:1] CCS(=O)(=O)[N-]c1ccc(cc1C)NC(=O)N[*:1]
C[C@@H](NCCc1nnc2n1CCC2)c1nc2ccc(Cl)cc2n1C C1Cc2nnc(n2C1)[*:1] C[C@@H](NCC[*:1])c1nc2ccc(Cl)cc2n1C
Cc1ccc(C(=O)CCC(=O)NC[C@@H](O)c2c(F)cccc2F)cc1 Fc1cccc(F)c1[*:1] Cc1ccc(cc1)C(=O)CCC(=O)NC[C@@H](O)[*:1]
Cc1ccc(C(=O)CCC(=O)NC[C@@H](O)c2c(F)cccc2F)cc1 Cc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])NC[C@@H](O)c1c(F)cccc1F
Cc1cc(NC(=O)CC2=CCCCC2)n([C@H]2CCS(=O)(=O)C2)n1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1cc(NC(=O)CC2=CCCCC2)n(n1)[*:1]
CCO[C@H](C)c1noc(CNC(=O)C(=O)N2C[C@@H](C)c3ccccc32)n1 CCO[*:1] C[C@@H]1CN(C(=O)C(=O)NCc2nc(no2)[C@@H](C)[*:1])c2ccccc21
CCO[C@H](C)c1noc(CNC(=O)C(=O)N2C[C@@H](C)c3ccccc32)n1 CCO[C@H](C)[*:1] C[C@@H]1CN(C(=O)C(=O)NCc2nc(no2)[*:1])c2ccccc21
C#CC[C@H](C)OC(=O)c1cccc(NC(=O)OC)c1 COC(=O)N[*:1] C#CC[C@H](C)OC(=O)c1cccc(c1)[*:1]
C#CC[C@H](C)OC(=O)c1cccc(NC(=O)OC)c1 C#CC[*:1] COC(=O)Nc1cccc(c1)C(=O)O[C@@H](C)[*:1]
Cc1nnc(CN(C)C(=O)NCCCN(C)c2ccccc2F)n1C Cc1nnc(C[*:1])n1C CN(CCCNC(=O)N(C)[*:1])c1ccccc1F
Cc1nnc(CN(C)C(=O)NCCCN(C)c2ccccc2F)n1C Cc1nnc(n1C)[*:1] CN(C[*:1])C(=O)NCCCN(C)c1ccccc1F
Cc1nnc(CN(C)C(=O)NCCCN(C)c2ccccc2F)n1C Fc1ccccc1[*:1] Cc1nnc(CN(C)C(=O)NCCCN(C)[*:1])n1C
COc1ccc2cc([C@@H](C)[NH2+][C@@H](C)CCN3CCOCC3)ccc2c1 C1CN(CCO1)[*:1] COc1ccc2cc(ccc2c1)[C@@H](C)[NH2+][C@@H](C)CC[*:1]
COc1ccc2cc([C@@H](C)[NH2+][C@@H](C)CCN3CCOCC3)ccc2c1 C1CN(CCO1)CC[*:1] COc1ccc2cc(ccc2c1)[C@@H](C)[NH2+][C@@H](C)[*:1]
COc1ccc2cc([C@@H](C)[NH2+][C@@H](C)CCN3CCOCC3)ccc2c1 C1CN(CCO1)C[*:1] COc1ccc2cc(ccc2c1)[C@@H](C)[NH2+][C@@H](C)C[*:1]
O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1CCCO1)[C@H](N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)[*:1]
O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)[C@H](C[*:1])N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 O=C(NC[C@@H]1CCCO1)[*:1] O=C1[C@@H]2[C@H](C(=O)N1[C@@H](Cc1ccccc1)[*:1])[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
CCN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)CC1 CCN1CCN(CC1)C(=O)[*:1] Cc1cccc(c1C)-n1c(nc2ccccc2c1=O)S[C@@H](C)[*:1]
CCN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)CC1 Cc1cccc(c1C)[*:1] CCN1CCN(CC1)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[*:1]
Cc1c(C(=O)Nc2ccccc2)sc2ncn([C@@H](C)C(=O)c3ccccc3)c(=O)c12 c1ccc(cc1)[*:1] Cc1c(sc2ncn(c(=O)c12)[C@@H](C)C(=O)c1ccccc1)C(=O)N[*:1]
Cc1c(C(=O)Nc2ccccc2)sc2ncn([C@@H](C)C(=O)c3ccccc3)c(=O)c12 O=C(Nc1ccccc1)[*:1] Cc1c(sc2ncn(c(=O)c12)[C@@H](C)C(=O)c1ccccc1)[*:1]
Cc1c(C(=O)Nc2ccccc2)sc2ncn([C@@H](C)C(=O)c3ccccc3)c(=O)c12 c1ccc(cc1)[*:1] Cc1c(sc2ncn(c(=O)c12)[C@@H](C)C(=O)[*:1])C(=O)Nc1ccccc1
Cc1c(C(=O)Nc2ccccc2)sc2ncn([C@@H](C)C(=O)c3ccccc3)c(=O)c12 O=C(c1ccccc1)[*:1] Cc1c(sc2ncn(c(=O)c12)[C@@H](C)[*:1])C(=O)Nc1ccccc1
C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@H](OC(=O)c1cc(ccc1Cl)S(N)(=O)=O)c1nnc(o1)[*:1]
C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1nnc(-c2ccccc2)o1 NS(=O)(=O)[*:1] C[C@H](OC(=O)c1cc(ccc1Cl)[*:1])c1nnc(o1)-c1ccccc1
[NH3+][C@@H](c1ccccc1)c1n[nH]c(-c2ccccc2)n1 c1ccc(cc1)[*:1] [NH3+][C@@H](c1ccccc1)c1n[nH]c(n1)[*:1]
[NH3+][C@@H](c1ccccc1)c1n[nH]c(-c2ccccc2)n1 c1ccc(cc1)[*:1] [NH3+][C@@H](c1n[nH]c(n1)-c1ccccc1)[*:1]
C[C@H]1CN(CCCCNC(=O)C(C)(C)c2ccccc2F)C[C@H](C)O1 Fc1ccccc1[*:1] C[C@H]1CN(CCCCNC(=O)C(C)(C)[*:1])C[C@H](C)O1
N#Cc1ccnc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c1 c1c(sc2CCCc12)[*:1] N#Cc1ccnc(c1)N1CCN(CC1)C(=O)[*:1]
N#Cc1ccnc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c1 N#Cc1ccnc(c1)[*:1] O=C(c1cc2CCCc2s1)N1CCN(CC1)[*:1]
CCC(=O)Nc1ccc(Cl)c(NCc2csc(COC)n2)c1 COC[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NCc1csc(n1)[*:1]
CCC(=O)Nc1ccc(Cl)c(NCc2csc(COC)n2)c1 CCC(=O)N[*:1] COCc1nc(cs1)CNc1cc(ccc1Cl)[*:1]
Cc1nn(C)c2c1nc(CCCl)n2CCCS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1nn(C)c2c1nc(CCCl)n2CC[*:1]
Cc1nn(C)c2c1nc(CCCl)n2CCCS(C)(=O)=O ClCC[*:1] Cc1nn(C)c2c1nc(n2CCCS(C)(=O)=O)[*:1]
Cc1nn(C)c2c1nc(CCCl)n2CCCS(C)(=O)=O CS(=O)(=O)CC[*:1] Cc1nn(C)c2c1nc(CCCl)n2C[*:1]
Cc1nn(C)c2c1nc(CCCl)n2CCCS(C)(=O)=O CS(=O)(=O)[*:1] Cc1nn(C)c2c1nc(CCCl)n2CCC[*:1]
CCCCCS(=O)(=O)CC(=O)N1CCNC(=O)C1 CCC[*:1] O=C1CN(CCN1)C(=O)CS(=O)(=O)CC[*:1]
CCCCCS(=O)(=O)CC(=O)N1CCNC(=O)C1 CCCC[*:1] O=C1CN(CCN1)C(=O)CS(=O)(=O)C[*:1]
CCCCCS(=O)(=O)CC(=O)N1CCNC(=O)C1 CCCCC[*:1] O=C1CN(CCN1)C(=O)CS(=O)(=O)[*:1]
Cc1c(CNc2ccc(OC(F)F)cn2)cnn1C FC(F)O[*:1] Cc1c(cnn1C)CNc1ccc(cn1)[*:1]
Cc1c(CNc2ccc(OC(F)F)cn2)cnn1C FC(F)[*:1] Cc1c(cnn1C)CNc1ccc(cn1)O[*:1]
CCCCCOc1ccccc1[C@@H]1NC(=O)c2ccccc2N1 CCCCC[*:1] O=C1N[C@H](Nc2ccccc21)c1ccccc1O[*:1]
CCCCCOc1ccccc1[C@@H]1NC(=O)c2ccccc2N1 CCCCCO[*:1] O=C1N[C@H](Nc2ccccc21)c1ccccc1[*:1]
CCCCCOc1ccccc1[C@@H]1NC(=O)c2ccccc2N1 CCCC[*:1] O=C1N[C@H](Nc2ccccc21)c1ccccc1OC[*:1]
CCCCCOc1ccccc1[C@@H]1NC(=O)c2ccccc2N1 CCC[*:1] O=C1N[C@H](Nc2ccccc21)c1ccccc1OCC[*:1]
CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)COC)cc21 CCC[*:1] COCC(=O)Nc1ccc2OCC(C)(C)C(=O)N(c2c1)[*:1]
CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)COC)cc21 COCC(=O)N[*:1] CCCN1C(=O)C(C)(C)COc2ccc(cc21)[*:1]
CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)COC)cc21 COC[*:1] CCCN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)[*:1]
NC(=O)c1cc(NC(=O)[C@H]2SCCc3ccccc32)c(F)cc1F NC(=O)[*:1] O=C(Nc1cc(c(F)cc1F)[*:1])[C@H]1SCCc2ccccc21
CC[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)c1cccc(C)n1 Cc1cccc(n1)[*:1] CC[NH2+][C@H](Cc1nc(cs1)C(C)(C)C)[*:1]
CC[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)c1cccc(C)n1 CC(C)(C)[*:1] CC[NH2+][C@H](Cc1nc(cs1)[*:1])c1cccc(C)n1
O=C(CSc1nnnn1Cc1cccs1)c1c[nH]c(C(=O)N2CCCC2)c1 c1csc(c1)C[*:1] O=C(CSc1nnnn1[*:1])c1c[nH]c(c1)C(=O)N1CCCC1
O=C(CSc1nnnn1Cc1cccs1)c1c[nH]c(C(=O)N2CCCC2)c1 c1csc(c1)[*:1] O=C(CSc1nnnn1C[*:1])c1c[nH]c(c1)C(=O)N1CCCC1
O=C(CSc1nnnn1Cc1cccs1)c1c[nH]c(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] O=C(CSc1nnnn1Cc1cccs1)c1c[nH]c(c1)[*:1]
Cc1ccc(/C(=N\CCc2cnc[nH]2)C2C(=O)NC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1 c1ncc([nH]1)[*:1] Cc1ccc(cc1)/C(=N\CC[*:1])C1C(=O)NC(=O)N(C1=O)c1ccccc1C(F)(F)F
Cc1ccc(/C(=N\CCc2cnc[nH]2)C2C(=O)NC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1 FC(F)(F)c1ccccc1[*:1] Cc1ccc(cc1)/C(=N\CCc1cnc[nH]1)C1C(=O)NC(=O)N(C1=O)[*:1]
Cc1ccc(/C(=N\CCc2cnc[nH]2)C2C(=O)NC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1 c1ncc(CC[*:1])[nH]1 Cc1ccc(cc1)C(=N[*:1])C1C(=O)NC(=O)N(C1=O)c1ccccc1C(F)(F)F
Cc1ccc(/C(=N\CCc2cnc[nH]2)C2C(=O)NC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1NC(=O)N(C(=O)C1C(=NCCc1cnc[nH]1)[*:1])c1ccccc1C(F)(F)F
Cc1ccc(/C(=N\CCc2cnc[nH]2)C2C(=O)NC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)/C(=N\CCc1cnc[nH]1)C1C(=O)NC(=O)N(C1=O)c1ccccc1[*:1]
Cc1ccc(/C(=N\CCc2cnc[nH]2)C2C(=O)NC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1 c1ncc(C[*:1])[nH]1 Cc1ccc(cc1)/C(=N\C[*:1])C1C(=O)NC(=O)N(C1=O)c1ccccc1C(F)(F)F
Cc1noc(C)c1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 CC(C)[*:1] Cc1noc(C)c1C[NH2+][C@@H]1CCO[C@@H](C1)[*:1]
C[C@H]1CCC[C@H](Oc2nc(C(F)(F)F)ccc2C[NH3+])C1 FC(F)(F)[*:1] C[C@H]1CCC[C@@H](C1)Oc1nc(ccc1C[NH3+])[*:1]
CNC(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)COC)CCO1 COC[*:1] CNC(=O)[C@]1(Cc2ccc(cc2)-c2ccc(F)cc2)CN(CCO1)C(=O)[*:1]
CNC(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)COC)CCO1 CNC(=O)[*:1] COCC(=O)N1CCO[C@](Cc2ccc(cc2)-c2ccc(F)cc2)(C1)[*:1]
CNC(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)COC)CCO1 Fc1ccc(cc1)[*:1] CNC(=O)[C@]1(Cc2ccc(cc2)[*:1])CN(CCO1)C(=O)COC
C=C(C)CCC[C@H]([NH3+])CCC C=C(C)[*:1] CCC[C@@H]([NH3+])CCC[*:1]
C=C(C)CCC[C@H]([NH3+])CCC CCC[*:1] C=C(C)CCC[C@H]([NH3+])[*:1]
Nc1ncnc(SCc2nc(-c3ccccc3)cs2)n1 c1ccc(cc1)[*:1] Nc1ncnc(n1)SCc1nc(cs1)[*:1]
COc1c(C(C)C)cc(NC(=O)c2ccccc2C(=O)[O-])cc1C(C)C CC(C)[*:1] COc1c(cc(cc1[*:1])NC(=O)c1ccccc1C(=O)[O-])C(C)C
COc1c(C(C)C)cc(NC(=O)c2ccccc2C(=O)[O-])cc1C(C)C O=C([O-])[*:1] COc1c(cc(cc1C(C)C)NC(=O)c1ccccc1[*:1])C(C)C
O=C(NCCn1cccc1)Nc1ncc(Cc2ccc(F)cc2F)s1 Fc1ccc(c(F)c1)[*:1] O=C(NCCn1cccc1)Nc1ncc(C[*:1])s1
O=C(NCCn1cccc1)Nc1ncc(Cc2ccc(F)cc2F)s1 c1ccn(c1)CC[*:1] O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)N[*:1]
O=C(NCCn1cccc1)Nc1ncc(Cc2ccc(F)cc2F)s1 c1ccn(c1)C[*:1] O=C(NC[*:1])Nc1ncc(Cc2ccc(F)cc2F)s1
O=C(NCCn1cccc1)Nc1ncc(Cc2ccc(F)cc2F)s1 c1ccn(c1)[*:1] O=C(NCC[*:1])Nc1ncc(Cc2ccc(F)cc2F)s1
C[C@H](O)c1ccc(-c2ccc(CNn3c(-c4ccccc4)n[nH]c3=S)o2)cc1 C[C@H](O)[*:1] S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(o1)-c1ccc(cc1)[*:1]
C[C@H](O)c1ccc(-c2ccc(CNn3c(-c4ccccc4)n[nH]c3=S)o2)cc1 C[C@H](O)c1ccc(cc1)[*:1] S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(o1)[*:1]
C[C@H](O)c1ccc(-c2ccc(CNn3c(-c4ccccc4)n[nH]c3=S)o2)cc1 c1ccc(cc1)[*:1] C[C@H](O)c1ccc(cc1)-c1ccc(CNn2c(n[nH]c2=S)[*:1])o1
Cc1oc(-c2cccs2)nc1CC(=O)N1CCNC(=O)[C@H]1C c1csc(c1)[*:1] Cc1oc(nc1CC(=O)N1CCNC(=O)[C@H]1C)[*:1]
COc1ccc(F)cc1C(=O)COC(=O)c1csc(-c2ccc(C)cc2)n1 COc1ccc(F)cc1[*:1] Cc1ccc(cc1)-c1nc(cs1)C(=O)OCC(=O)[*:1]
COc1ccc(F)cc1C(=O)COC(=O)c1csc(-c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] COc1ccc(F)cc1C(=O)COC(=O)c1csc(n1)[*:1]
C[C@H](Oc1ccccc1)C(=O)Nc1nn(C)c2c1[C@@H](c1cccs1)CC(=O)N2 c1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1nn(C)c2NC(=O)C[C@H](c3cccs3)c12)[*:1]
C[C@H](Oc1ccccc1)C(=O)Nc1nn(C)c2c1[C@@H](c1cccs1)CC(=O)N2 C[C@H](Oc1ccccc1)[*:1] Cn1nc(NC(=O)[*:1])c2c1NC(=O)C[C@@H]2c1cccs1
C[C@H](Oc1ccccc1)C(=O)Nc1nn(C)c2c1[C@@H](c1cccs1)CC(=O)N2 c1csc(c1)[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1nn(C)c2NC(=O)C[C@H](c12)[*:1]
C[C@H](Oc1ccccc1)C(=O)Nc1nn(C)c2c1[C@@H](c1cccs1)CC(=O)N2 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1nn(C)c2NC(=O)C[C@H](c3cccs3)c12
C#CCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] C#CCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cc(ccc21)[*:1]
C#CCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cc(S(N)(=O)=O)ccc21 C#CC[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)c1cccc3ccccc13)n2[*:1]
O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 Clc1ccc(cc1)[*:1] O=C(NC1CCCC1)[C@@H](N1CCCCC1)[*:1]
O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 C1CCC(C1)[*:1] O=C(N[*:1])[C@@H](c1ccc(Cl)cc1)N1CCCCC1
O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 C1CCN(CC1)[*:1] O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(-c2cccc(Cl)c2)n1 Cc1cccc(c1C)[*:1] Cc1cc(=O)n(CC(=O)N[*:1])c(n1)-c1cccc(Cl)c1
Cc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] Cc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(n1)[*:1]
CCC(=O)c1ccn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 CCC(=O)[*:1] CS(=O)(=O)N1CCC[C@H](C1)Cn1ccc(c1)[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)C(C)C CC(C)[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)[*:1]
CSC[C@@](C)(O)CNC(=O)c1cc2cc(C(F)(F)F)ccc2n1C FC(F)(F)[*:1] CSC[C@@](C)(O)CNC(=O)c1cc2cc(ccc2n1C)[*:1]
CSC[C@@](C)(O)CNC(=O)c1cc2cc(C(F)(F)F)ccc2n1C CSC[*:1] Cn1c(cc2cc(ccc21)C(F)(F)F)C(=O)NC[C@@](C)(O)[*:1]
CC(=O)Nc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)CNC(=O)C1CCN(CC1)C(=O)N[*:1]
CC(=O)Nc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 CC(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])C1CCN(CC1)C(=O)Nc1ccccc1
CCCc1nc2nc(C)c([N-]S(=O)(=O)c3cccs3)c([O-])n2n1 CCC[*:1] Cc1nc2nc(nn2c([O-])c1[N-]S(=O)(=O)c1cccs1)[*:1]
CCCc1nc2nc(C)c([N-]S(=O)(=O)c3cccs3)c([O-])n2n1 c1csc(c1)[*:1] CCCc1nc2nc(C)c([N-]S(=O)(=O)[*:1])c([O-])n2n1
CC(C)n1nccc1NC(=O)c1ccn(-c2ccccc2F)n1 CC(C)[*:1] O=C(Nc1ccnn1[*:1])c1ccn(n1)-c1ccccc1F
CC(C)n1nccc1NC(=O)c1ccn(-c2ccccc2F)n1 Fc1ccccc1[*:1] CC(C)n1nccc1NC(=O)c1ccn(n1)[*:1]
O=C(NCC1CCN(C(=O)c2cnccn2)CC1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)c1cnccn1)O[*:1]
O=C(NCC1CCN(C(=O)c2cnccn2)CC1)Oc1ccccc1 c1cnc(cn1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])Oc1ccccc1
CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cccnc1 c1ccc(cc1)[*:1] CCn1c(nnc1-c1cccnc1)SCC(=O)N1CCN(CC1)[*:1]
CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cccnc1 c1cncc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N1CCN(CC1)c1ccccc1
O=C(c1ccccc1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C(c1ccccc1)N1C[C@H]2[C@@H](C1)OC(=O)N2C[*:1]
O=C(c1ccccc1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(c1ccccc1)N1C[C@H]2[C@@H](C1)OC(=O)N2CC[*:1]
O=C(c1ccccc1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C1O[C@@H]2CN(C[C@@H]2N1CCc1cccc(Cl)c1)C(=O)[*:1]
C[C@H](C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21)N1C(=O)CSC1=O O=C1CSC(=O)N1[*:1] C[C@H](C(=O)N[C@@H]1CC(C)(C)Cc2nc(ncc21)-c1ccncc1)[*:1]
C[C@H](C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21)N1C(=O)CSC1=O c1cc(ccn1)[*:1] C[C@H](C(=O)N[C@@H]1CC(C)(C)Cc2nc(ncc21)[*:1])N1C(=O)CSC1=O
O=C(Nc1ccc(CC(=O)N2CCCCC2)cc1)c1ccc(N2CCCOC2=O)cc1 O=C1OCCCN1[*:1] O=C(Nc1ccc(cc1)CC(=O)N1CCCCC1)c1ccc(cc1)[*:1]
O=C(Nc1ccc(CC(=O)N2CCCCC2)cc1)c1ccc(N2CCCOC2=O)cc1 O=C(N1CCCCC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc(cc1)N1CCCOC1=O
O=C(Nc1ccc(CC(=O)N2CCCCC2)cc1)c1ccc(N2CCCOC2=O)cc1 O=C(C[*:1])N1CCCCC1 O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)N1CCCOC1=O
C[NH+]1CCN(Cc2noc(-c3c[nH]nc3C3CCCCC3)n2)CC1 C1CCC(CC1)[*:1] C[NH+]1CCN(CC1)Cc1noc(n1)-c1c[nH]nc1[*:1]
C[C@H]1CC[C@@H]([C@@H](Cc2ccccc2)C(=O)[O-])C[C@@H]1C c1ccc(cc1)[*:1] C[C@H]1CC[C@H](C[C@@H]1C)[C@@H](C[*:1])C(=O)[O-]
C[C@H]1CC[C@@H]([C@@H](Cc2ccccc2)C(=O)[O-])C[C@@H]1C O=C([O-])[*:1] C[C@H]1CC[C@H](C[C@@H]1C)[C@@H](Cc1ccccc1)[*:1]
C[C@H]1Cc2ccccc2N1CCNC(=O)N1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] C[C@H]1Cc2ccccc2N1CCNC(=O)N1CC[C@](O)(C1)[*:1]
NC(=S)[C@@H]1CN(c2snc3ccccc23)CCO1 NC(=S)[*:1] c1ccc2c(snc2c1)N1CCO[C@@H](C1)[*:1]
Cc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CCCC1 C1CCCC(CC1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)N[*:1]
Cc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)NC1CCCCCC1
COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cc(C)sc1C COC(=O)[C@@H](C)[*:1] Cc1cc(C(=O)Nc2cc(F)ccc2C(=O)N[*:1])c(C)s1
COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cc(C)sc1C COC(=O)[*:1] Cc1cc(C(=O)Nc2cc(F)ccc2C(=O)N[C@H](C)[*:1])c(C)s1
COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cc(C)sc1C Cc1cc(c(C)s1)[*:1] COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)[*:1]
CCOC(=O)C1(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CCCCC1 CCOC(=O)[*:1] O=C(NC1(CCCCC1)[*:1])c1nn(-c2ccc(F)c(F)c2)c2CCCc12
CCOC(=O)C1(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CCCCC1 Fc1ccc(cc1F)[*:1] CCOC(=O)C1(CCCCC1)NC(=O)c1nn(c2CCCc12)[*:1]
C[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)C[C@@H]1O Fc1ccccc1[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCCC[NH+]1CCN(CC1)[*:1]
O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccccc1Cl Clc1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)Nc2nc(nn21)[*:1])Nc1ccccc1Cl
O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(C[C@@H]1C(=O)Nc2nc(nn21)-c1ccc(Cl)cc1)N[*:1]
Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c(Cl)c1 c1cc(ccn1)[*:1] Cc1ccc(C(=O)Nc2ccc(cc2)C[*:1])c(Cl)c1
Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(Nc1ccc(cc1)Cc1ccncc1)[*:1]
Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c(Cl)c1 c1cc(ccn1)C[*:1] Cc1ccc(C(=O)Nc2ccc(cc2)[*:1])c(Cl)c1
O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(Nc1cc(Cl)ccc1O[*:1])[C@H]1CCCO1
O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCCO1 c1ccc(cc1)O[*:1] O=C(Nc1cc(Cl)ccc1[*:1])[C@H]1CCCO1
O=C(Cc1ccccc1)NCCNc1ccc(-n2cccn2)nn1 c1cnn(c1)[*:1] O=C(Cc1ccccc1)NCCNc1ccc(nn1)[*:1]
O=C(Cc1ccccc1)NCCNc1ccc(-n2cccn2)nn1 c1ccc(cc1)C[*:1] O=C(NCCNc1ccc(nn1)-n1cccn1)[*:1]
O=C(Cc1ccccc1)NCCNc1ccc(-n2cccn2)nn1 c1ccc(cc1)[*:1] O=C(C[*:1])NCCNc1ccc(nn1)-n1cccn1
CC[C@@H]([NH2+]Cc1scnc1C)c1cc(C)ccc1OC Cc1ncsc1[*:1] CC[C@@H]([NH2+]C[*:1])c1cc(C)ccc1OC
COCCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 COCC[*:1] O=C(Nc1ccc(Cl)cc1)c1cn(cc2-c1nn(-c1ccccc1)c2=O)C[*:1]
COCCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 Clc1ccc(cc1)[*:1] COCCCn1cc(C(=O)N[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
COCCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 COCCC[*:1] O=C(Nc1ccc(Cl)cc1)c1cn(cc2-c1nn(-c1ccccc1)c2=O)[*:1]
COCCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] COCCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2nn(c(=O)c-2c1)[*:1]
COCCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 COC[*:1] O=C(Nc1ccc(Cl)cc1)c1cn(cc2-c1nn(-c1ccccc1)c2=O)CC[*:1]
COCCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 O=C(Nc1ccc(Cl)cc1)[*:1] COCCCn1cc(c2nn(-c3ccccc3)c(=O)c-2c1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)c1cc[nH+]cc1[O-] c1csc(c1)C[*:1] C[C@@H](NC(=O)c1cc[nH+]cc1[O-])[*:1]
C[C@@H](Cc1cccs1)NC(=O)c1cc[nH+]cc1[O-] c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)c1cc[nH+]cc1[O-]
Cc1ccc(/C=C/CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(CC=C[*:1])NCc1nc(no1)-c1ccc(Cl)cc1
Cc1ccc(/C=C/CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(/C=C/CC(=O)NCc2nc(no2)[*:1])cc1
Cc1cccc(NC(=O)NCC(=O)N(C)CC[NH+](C)C)c1 Cc1cccc(c1)[*:1] CN(CC[NH+](C)C)C(=O)CNC(=O)N[*:1]
COC[C@H](Nc1cncc(Br)c1)c1ccc(C)o1 Cc1ccc(o1)[*:1] COC[C@H](Nc1cncc(Br)c1)[*:1]
COC[C@H](Nc1cncc(Br)c1)c1ccc(C)o1 COC[*:1] Cc1ccc(o1)[C@@H](Nc1cncc(Br)c1)[*:1]
CC(C)[C@H](C(=O)[O-])n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O O=C([O-])[*:1] CC(C)[C@H](n1ccc2c(cnc3c(cnn32)-c2ccc(Cl)cc2)c1=O)[*:1]
CC(C)[C@H](C(=O)[O-])n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O Clc1ccc(cc1)[*:1] CC(C)[C@H](C(=O)[O-])n1ccc2c(cnc3c(cnn32)[*:1])c1=O
CC(C)[C@H](C(=O)[O-])n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O CC(C)[*:1] O=C([O-])[C@H](n1ccc2c(cnc3c(cnn32)-c2ccc(Cl)cc2)c1=O)[*:1]
COc1ccc([C@@H]2CC([O-])=C/C(=N\C3Cc4ccccc4C3)C2)cc1OC c1ccc2CC(Cc2c1)[*:1] COc1ccc(cc1OC)[C@@H]1CC([O-])=CC(C1)=N[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)Cc1cccs1)CC2)c1ccccn1 c1csc(c1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)C[*:1])c1ccccn1
O=C(Nc1nc2c(s1)CN(C(=O)Cc1cccs1)CC2)c1ccccn1 c1ccc(nc1)[*:1] O=C(Cc1cccs1)N1CCc2nc(NC(=O)[*:1])sc2C1
O=C(Nc1nc2c(s1)CN(C(=O)Cc1cccs1)CC2)c1ccccn1 c1csc(c1)C[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])c1ccccn1
CN(C)c1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1 C1CCC(C1)[*:1] CN(C)c1ccc(cc1)C(=O)NCc1cc(-c2ccncc2)n(n1)[*:1]
CN(C)c1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1 c1cc(ccn1)[*:1] CN(C)c1ccc(cc1)C(=O)NCc1cc(n(n1)C1CCCC1)[*:1]
CN(C)c1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1 CN(C)[*:1] O=C(NCc1cc(-c2ccncc2)n(n1)C1CCCC1)c1ccc(cc1)[*:1]
CN(C)c1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1 CN(C)c1ccc(cc1)[*:1] O=C(NCc1cc(-c2ccncc2)n(n1)C1CCCC1)[*:1]
N#Cc1cc(Cl)nc(NNC(=O)CCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)CC[*:1]
COc1ccc([C@@H](C)CCNC(=O)c2cccc(-c3nnc(C)o3)c2)cc1 COc1ccc(cc1)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NCC[C@H](C)[*:1]
COc1ccc([C@@H](C)CCNC(=O)c2cccc(-c3nnc(C)o3)c2)cc1 Cc1nnc(o1)[*:1] COc1ccc(cc1)[C@@H](C)CCNC(=O)c1cccc(c1)[*:1]
CCC(C)(C)NC(=O)c1ccc(NCC(=O)N2[C@H](C)CCC[C@H]2C)cc1Cl CCC(C)(C)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)CNc1ccc(C(=O)N[*:1])c(Cl)c1
CCC(C)(C)NC(=O)c1ccc(NCC(=O)N2[C@H](C)CCC[C@H]2C)cc1Cl CCC(C)(C)NC(=O)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)CNc1ccc(c(Cl)c1)[*:1]
CCCN(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[C@@H]1CCc2ccccc2C1 CCC[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)N([C@@H]1CCc2ccccc2C1)[*:1]
COC[C@H](NC(=O)N1CCCc2ccccc2C1)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)[*:1])N1CCCc2ccccc2C1
COC[C@H](NC(=O)N1CCCc2ccccc2C1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)N1CCCc2ccccc2C1)[*:1]
CO[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)N1CCC[C@H](C1)[NH+](C)C)[*:1]
Cc1oc(-c2ccsc2)nc1CN(C)[C@@H](C)c1cccnc1 c1cc(cs1)[*:1] Cc1oc(nc1CN(C)[C@@H](C)c1cccnc1)[*:1]
Cc1oc(-c2ccsc2)nc1CN(C)[C@@H](C)c1cccnc1 c1cncc(c1)[*:1] Cc1oc(nc1CN(C)[C@@H](C)[*:1])-c1ccsc1
Cc1cccc(/C=N\NC(=O)c2cc(Br)ccc2OC(C)C)n1 Cc1cccc(n1)[*:1] CC(C)Oc1ccc(Br)cc1C(=O)NN=C[*:1]
Cc1cccc(/C=N\NC(=O)c2cc(Br)ccc2OC(C)C)n1 CC(C)[*:1] Cc1cccc(/C=N\NC(=O)c2cc(Br)ccc2O[*:1])n1
Cc1cccc(/C=N\NC(=O)c2cc(Br)ccc2OC(C)C)n1 CC(C)O[*:1] Cc1cccc(/C=N\NC(=O)c2cc(Br)ccc2[*:1])n1
O=C(C[NH+]1CCN(c2ncnc3sccc23)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] c1nc(c2ccsc2n1)N1CC[NH+](CC1)C[*:1]
Cc1cc(CN(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)NCc1ccc(cc1)C[NH+]1CCCCC1
Cc1cc(CN(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)no1 Cc1cc(C[*:1])no1 CN(C(=O)NCc1ccc(cc1)C[NH+]1CCCCC1)[*:1]
Cc1[nH]ncc1C(=O)N1CCCN(c2nccs2)CC1 Cc1[nH]ncc1[*:1] O=C(N1CCCN(CC1)c1nccs1)[*:1]
Cc1[nH]ncc1C(=O)N1CCCN(c2nccs2)CC1 c1csc(n1)[*:1] Cc1[nH]ncc1C(=O)N1CCCN(CC1)[*:1]
CN(CCc1ccccc1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)Nc1ccc(cc1)OCC1CCOCC1
CN(CCc1ccccc1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)CO[*:1] CN(CCc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CN(CCc1ccccc1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 c1ccc(cc1)C[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)OCC1CCOCC1
CN(CCc1ccccc1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)[*:1] CN(CCc1ccccc1)C(=O)Nc1ccc(cc1)OC[*:1]
CN(CCc1ccccc1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)C[*:1] CN(CCc1ccccc1)C(=O)Nc1ccc(cc1)O[*:1]
CN(CCc1ccccc1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 c1ccc(cc1)CC[*:1] CN(C(=O)Nc1ccc(cc1)OCC1CCOCC1)[*:1]
O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCC[C@H](COc2ccccc2F)C1 Fc1ccccc1OC[*:1] O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCC[C@H](C1)[*:1]
O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCC[C@H](COc2ccccc2F)C1 c1cncc(c1)[*:1] O=C(CSc1ccc2nnc(n2n1)[*:1])N1CCC[C@H](COc2ccccc2F)C1
O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCC[C@H](COc2ccccc2F)C1 Fc1ccccc1[*:1] O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCC[C@H](CO[*:1])C1
O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCC[C@H](COc2ccccc2F)C1 Fc1ccccc1O[*:1] O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCC[C@@H](C1)C[*:1]
CC(C)CCO[C@@H]1CCN(CN2C(=O)C(C)(C)C2(C)C)C1 CC(C)C[*:1] CC1(C)C(=O)N(CN2CC[C@H](C2)OC[*:1])C1(C)C
CC(C)CCO[C@@H]1CCN(CN2C(=O)C(C)(C)C2(C)C)C1 CC(C)CC[*:1] CC1(C)C(=O)N(CN2CC[C@H](C2)O[*:1])C1(C)C
CC(C)CCO[C@@H]1CCN(CN2C(=O)C(C)(C)C2(C)C)C1 CC(C)[*:1] CC1(C)C(=O)N(CN2CC[C@H](C2)OCC[*:1])C1(C)C
CC(C)CCO[C@@H]1CCN(CN2C(=O)C(C)(C)C2(C)C)C1 CC(C)CCO[*:1] CC1(C)C(=O)N(CN2CC[C@H](C2)[*:1])C1(C)C
COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(N)=O O=[N+]([O-])[*:1] COC[C@H](NC(=O)c1ccc(cc1C)[*:1])C(N)=O
COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)c1ccc(cc1C)[N+](=O)[O-])[*:1]
COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(N)=O COC[*:1] Cc1cc(ccc1C(=O)N[C@H](C(N)=O)[*:1])[N+](=O)[O-]
CCOc1ccc(Cl)cc1NC(=O)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] CCOc1ccc(Cl)cc1NC(=O)c1ccc(cc1)[*:1]
CCOc1ccc(Cl)cc1NC(=O)c1ccc(-n2cnnn2)cc1 CCO[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1ccc(cc1)-n1cnnn1
COCCNC(=O)NC(=O)CN1CCCc2c(C(=O)NC(C)C)cccc21 COCC[*:1] CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)NC(=O)N[*:1]
COCCNC(=O)NC(=O)CN1CCCc2c(C(=O)NC(C)C)cccc21 COC[*:1] CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)NC(=O)NC[*:1]
COCCNC(=O)NC(=O)CN1CCCc2c(C(=O)NC(C)C)cccc21 CC(C)[*:1] COCCNC(=O)NC(=O)CN1CCCc2c(cccc21)C(=O)N[*:1]
COCCNC(=O)NC(=O)CN1CCCc2c(C(=O)NC(C)C)cccc21 CC(C)NC(=O)[*:1] COCCNC(=O)NC(=O)CN1CCCc2c1cccc2[*:1]
O=C(N/N=C/C1=c2ccccc2=[NH+]C1)[C@H]1C[C@@H](c2cccc(OCc3ccccc3)c2)[NH+]=N1 c1ccc(cc1)CO[*:1] O=C(N/N=C/C1C[NH+]=c2ccccc2=1)[C@H]1C[C@H]([NH+]=N1)c1cccc(c1)[*:1]
O=C(N/N=C/C1=c2ccccc2=[NH+]C1)[C@H]1C[C@@H](c2cccc(OCc3ccccc3)c2)[NH+]=N1 c1ccc(cc1)[*:1] O=C(N/N=C/C1C[NH+]=c2ccccc2=1)[C@H]1C[C@H]([NH+]=N1)c1cccc(c1)OC[*:1]
O=C(N/N=C/C1=c2ccccc2=[NH+]C1)[C@H]1C[C@@H](c2cccc(OCc3ccccc3)c2)[NH+]=N1 c1ccc(cc1)C[*:1] O=C(N/N=C/C1C[NH+]=c2ccccc2=1)[C@H]1C[C@H]([NH+]=N1)c1cccc(c1)O[*:1]
CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(N)=O c1ccc(cc1)[*:1] CCOc1cc(ccc1OCC(N)=O)-c1noc(n1)[*:1]
CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(N)=O CCO[*:1] NC(=O)COc1ccc(cc1[*:1])-c1noc(n1)-c1ccccc1
CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(N)=O NC(=O)CO[*:1] CCOc1cc(ccc1[*:1])-c1noc(n1)-c1ccccc1
CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(N)=O NC(=O)C[*:1] CCOc1cc(ccc1O[*:1])-c1noc(n1)-c1ccccc1
CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(N)=O NC(=O)[*:1] CCOc1cc(ccc1OC[*:1])-c1noc(n1)-c1ccccc1
O=C(Nc1nccs1)[C@H]1CCCN1C(=O)CCCc1cccs1 c1csc(n1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)CCCc1cccs1
O=C(Nc1nccs1)[C@H]1CCCN1C(=O)CCCc1cccs1 c1csc(c1)CC[*:1] O=C(Nc1nccs1)[C@H]1CCCN1C(=O)C[*:1]
O=C(Nc1nccs1)[C@H]1CCCN1C(=O)CCCc1cccs1 c1csc(c1)C[*:1] O=C(Nc1nccs1)[C@H]1CCCN1C(=O)CC[*:1]
O=C(Nc1nccs1)[C@H]1CCCN1C(=O)CCCc1cccs1 c1csc(c1)[*:1] O=C(Nc1nccs1)[C@H]1CCCN1C(=O)CCC[*:1]
O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)[C@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)[C@H]1C[C@@H]1[*:1]
CC(C)C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 CC(C)[*:1] O=C(Nc1cc(ccc1F)NC(=O)[*:1])C1CC1
CC(C)C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 CC(C)C(=O)N[*:1] O=C(Nc1cc(ccc1F)[*:1])C1CC1
CC(C)C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 CC(C)C(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 C1CC1[*:1] CC(C)C(=O)Nc1ccc(F)c(c1)NC(=O)[*:1]
COc1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cc(nc(n1)N1CCN(CC1)C(=O)[*:1])N1CCOCC1
COc1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c(OC)c1 C1CN(CCO1)[*:1] COc1ccc(C(=O)N2CCN(CC2)c2nc(C)cc(n2)[*:1])c(c1)OC
CC1(C)CCSC[C@H]1[NH2+]Cc1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CC1(C)CCSC[C@H]1[NH2+]Cc1cccc(c1)[*:1]
CC(=O)N1CCN(c2cnccn2)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1CCN(C[C@H]1[*:1])c1cnccn1
CC(=O)N1CCN(c2cnccn2)C[C@@H]1c1ccccc1 c1cnc(cn1)[*:1] CC(=O)N1CCN(C[C@@H]1c1ccccc1)[*:1]
CCS[C@@H]1CC[C@H](N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CCS[C@@H]1CC[C@@H](C1)N(C)c1nc2ccccn2c(=O)c1[*:1]
CCS[C@@H]1CC[C@H](N(C)c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 CCS[*:1] CN(c1nc2ccccn2c(=O)c1[N+](=O)[O-])[C@H]1CC[C@H](C1)[*:1]
COC(=O)C1(NC(=O)Cc2c(C)noc2C)CCCCCC1 COC(=O)[*:1] Cc1noc(C)c1CC(=O)NC1(CCCCCC1)[*:1]
COC(=O)C1(NC(=O)Cc2c(C)noc2C)CCCCCC1 Cc1noc(C)c1[*:1] COC(=O)C1(CCCCCC1)NC(=O)C[*:1]
C[C@H](c1ccccn1)[C@@H](Br)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](c1ccccn1)[C@@H](Br)[*:1]
O=C(CS(=O)(=O)Cc1ccccc1F)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(CS(=O)(=O)Cc1ccccc1F)N1CCC[C@H]1[*:1]
O=C(CS(=O)(=O)Cc1ccccc1F)N1CCC[C@@H]1c1cccs1 Fc1ccccc1C[*:1] O=C(CS(=O)(=O)[*:1])N1CCC[C@@H]1c1cccs1
O=C(CS(=O)(=O)Cc1ccccc1F)N1CCC[C@@H]1c1cccs1 Fc1ccccc1[*:1] O=C(CS(=O)(=O)C[*:1])N1CCC[C@@H]1c1cccs1
CCc1nc2n(n1)CCC[C@H]2NC(=O)c1oc(C)nc1C Cc1nc(C)c(o1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)[*:1]
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)C(F)(F)F O=C([O-])[*:1] O=S(=O)([N-]c1cccc(F)c1[*:1])C(F)(F)F
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)C(F)(F)F FC(F)(F)[*:1] O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)[*:1]
COc1ccccc1-n1cc(-c2ccnc(N(C)Cc3cc(C)[nH]n3)n2)cn1 Cc1cc(C[*:1])n[nH]1 COc1ccccc1-n1cc(cn1)-c1ccnc(n1)N(C)[*:1]
COc1ccccc1-n1cc(-c2ccnc(N(C)Cc3cc(C)[nH]n3)n2)cn1 Cc1cc(n[nH]1)[*:1] COc1ccccc1-n1cc(cn1)-c1ccnc(n1)N(C)C[*:1]
COc1ccccc1-n1cc(-c2ccnc(N(C)Cc3cc(C)[nH]n3)n2)cn1 COc1ccccc1[*:1] Cc1cc(CN(C)c2nccc(n2)-c2cnn(c2)[*:1])n[nH]1
COc1ccccc1-n1cc(-c2ccnc(N(C)Cc3cc(C)[nH]n3)n2)cn1 Cc1cc(CN(C)[*:1])n[nH]1 COc1ccccc1-n1cc(cn1)-c1ccnc(n1)[*:1]
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1Cc2ccccc2O1 O=[N+]([O-])[*:1] O=C(Cn1ccc(n1)[*:1])NC[C@H]1Cc2ccccc2O1
O=C(/C=C/c1cc(Br)ccc1F)NC1COC1 C1OCC1[*:1] O=C(/C=C/c1cc(Br)ccc1F)N[*:1]
C[C@@H](CS(C)(=O)=O)N[C@H](C)C[C@@H]1CCC[NH2+]1 CS(=O)(=O)C[*:1] C[C@@H](N[C@H](C)C[C@@H]1CCC[NH2+]1)[*:1]
C[C@@H](CS(C)(=O)=O)N[C@H](C)C[C@@H]1CCC[NH2+]1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])N[C@H](C)C[C@@H]1CCC[NH2+]1
O=C(NCc1nncn1CCc1ccccc1)c1cccc(-n2cnnc2)c1 c1ccc(cc1)[*:1] O=C(NCc1nncn1CC[*:1])c1cccc(c1)-n1cnnc1
O=C(NCc1nncn1CCc1ccccc1)c1cccc(-n2cnnc2)c1 c1nncn1[*:1] O=C(NCc1nncn1CCc1ccccc1)c1cccc(c1)[*:1]
O=C(NCc1nncn1CCc1ccccc1)c1cccc(-n2cnnc2)c1 c1ccc(cc1)C[*:1] O=C(NCc1nncn1C[*:1])c1cccc(c1)-n1cnnc1
O=C(NCc1nncn1CCc1ccccc1)c1cccc(-n2cnnc2)c1 c1ccc(cc1)CC[*:1] O=C(NCc1nncn1[*:1])c1cccc(c1)-n1cnnc1
C[C@@H]1CCc2c(sc3nc(CCN(C)CCC#N)nc(N)c23)C1 N#CC[*:1] C[C@@H]1CCc2c(C1)sc1nc(CCN(C)C[*:1])nc(N)c21
C[C@@H]1CCc2c(sc3nc(CCN(C)CCC#N)nc(N)c23)C1 CN(CCC#N)[*:1] C[C@@H]1CCc2c(C1)sc1nc(CC[*:1])nc(N)c21
C[C@@H]1CCc2c(sc3nc(CCN(C)CCC#N)nc(N)c23)C1 CN(CCC#N)C[*:1] C[C@@H]1CCc2c(C1)sc1nc(C[*:1])nc(N)c21
C[C@@H]1CCc2c(sc3nc(CCN(C)CCC#N)nc(N)c23)C1 N#CCC[*:1] C[C@@H]1CCc2c(C1)sc1nc(CCN(C)[*:1])nc(N)c21
C[C@](O)(c1cccs1)[C@]1(C[NH3+])CCOC1 c1csc(c1)[*:1] C[C@](O)([C@]1(C[NH3+])CCOC1)[*:1]
[NH3+][C@H](Cc1cccc(F)c1)c1ccc(Cl)c2ccccc12 Fc1cccc(c1)[*:1] [NH3+][C@H](C[*:1])c1ccc(Cl)c2ccccc12
C=CCOc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
C=CCOc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
COc1ccc2oc([C@@H](C)NC(=O)C[C@@H](O)c3ccccc3)c(C)c2c1 O[C@@H](c1ccccc1)[*:1] COc1ccc2oc(c(C)c2c1)[C@@H](C)NC(=O)C[*:1]
COc1ccc2oc([C@@H](C)NC(=O)C[C@@H](O)c3ccccc3)c(C)c2c1 c1ccc(cc1)[*:1] COc1ccc2oc(c(C)c2c1)[C@@H](C)NC(=O)C[C@@H](O)[*:1]
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C(F)(F)F)nc1[O-] FC(F)(F)[*:1] CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(nc1[O-])[*:1]
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C(F)(F)F)nc1[O-] CNC(=O)[*:1] [NH3+][C@H]1C[C@H](N(C1)C(=O)c1ccc(nc1[O-])C(F)(F)F)[*:1]
NC1=[NH+]C[C@@H]([C@@H]2CCCOC2)N1c1cccc(Cl)c1 C1COC[C@@H](C1)[*:1] NC1=[NH+]C[C@@H](N1c1cccc(Cl)c1)[*:1]
CC[C@H]([NH2+][C@@H](C)c1ccccc1C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@H]([NH2+][C@@H](C)c1ccccc1C)[*:1]
O=C(NC1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@@H]1CCCN1S(=O)(=O)[*:1]
O=C(NC1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 C[C@@H]1C[C@@H]1[*:1] O=C(CCc1ccc(o1)[*:1])NNC(=O)[C@@H]1CCS(=O)(=O)C1
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 O=S1(=O)CC[C@H](C1)[*:1] C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)[*:1])o1
O=C([O-])c1nc2cc3c(cc2[nH]1)OCO3 O=C([O-])[*:1] c1c2OCOc2cc2[nH]c(nc12)[*:1]
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)o1 Cc1occc1[*:1] C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(o1)[*:1]
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)o1 C=C(C)C[*:1] CCN(C(=O)[C@@H](C)Sc1nnc(o1)-c1ccoc1C)[*:1]
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)o1 C=C(C)[*:1] CCN(C[*:1])C(=O)[C@@H](C)Sc1nnc(o1)-c1ccoc1C
CC[C@@H](O)c1ccn(CC(=O)NCC2CC2)c1 C1CC1C[*:1] CC[C@@H](O)c1ccn(c1)CC(=O)N[*:1]
CC[C@@H](O)c1ccn(CC(=O)NCC2CC2)c1 CC[C@@H](O)[*:1] O=C(Cn1ccc(c1)[*:1])NCC1CC1
CC[C@@H](O)c1ccn(CC(=O)NCC2CC2)c1 C1CC1[*:1] CC[C@@H](O)c1ccn(c1)CC(=O)NC[*:1]
CCOC(=O)c1c(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)n[nH]c1CC CCOC(=O)[*:1] CCc1[nH]nc(c1[*:1])S(=O)(=O)N1CC[NH+](CC1)C1CCCCC1
CCOC(=O)c1c(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)n[nH]c1CC C1CCC(CC1)[*:1] CCOC(=O)c1c(n[nH]c1CC)S(=O)(=O)N1CC[NH+](CC1)[*:1]
CCCCS(=O)(=O)Nc1cccc(C(=O)OC)c1 CCC[*:1] COC(=O)c1cccc(c1)NS(=O)(=O)C[*:1]
CCCCS(=O)(=O)Nc1cccc(C(=O)OC)c1 COC(=O)[*:1] CCCCS(=O)(=O)Nc1cccc(c1)[*:1]
CCCCS(=O)(=O)Nc1cccc(C(=O)OC)c1 CCCC[*:1] COC(=O)c1cccc(c1)NS(=O)(=O)[*:1]
O=C([O-])c1c(F)cccc1Oc1cccc(Cl)c1 O=C([O-])[*:1] Fc1cccc(Oc2cccc(Cl)c2)c1[*:1]
Cc1c(C(=O)Nc2ccc(OC3CCCC3)cc2)cnn1C(C)C C1CCC(C1)[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccc(cc1)O[*:1]
Cc1c(C(=O)Nc2ccc(OC3CCCC3)cc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc(cc1)OC1CCCC1
Cc1c(C(=O)Nc2ccc(OC3CCCC3)cc2)cnn1C(C)C C1CCC(C1)O[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc2oc(C(=O)N3CCOC[C@H]3CC(C)C)cc2c1 CC(C)[*:1] Cc1ccc2oc(cc2c1)C(=O)N1CCOC[C@H]1C[*:1]
Cc1ccc2oc(C(=O)N3CCOC[C@H]3CC(C)C)cc2c1 CC(C)C[*:1] Cc1ccc2oc(cc2c1)C(=O)N1CCOC[C@@H]1[*:1]
CCOc1ccc(NC(=O)CSCc2cc(O)n[nH]2)cc1 CCO[*:1] O=C(CSCc1cc(O)n[nH]1)Nc1ccc(cc1)[*:1]
COc1ccc(Br)c(C[C@]2(C(C)C)CCC[NH2+]2)c1 CC(C)[*:1] COc1ccc(Br)c(c1)C[C@@]1(CCC[NH2+]1)[*:1]
COc1cc(OC)c2cc(CCC[NH3+])[nH]c2c1 [NH3+]CCC[*:1] COc1cc(OC)c2cc([nH]c2c1)[*:1]
CSc1nc(/N=C/C(C(=O)C(F)(F)F)=C(/[O-])c2cccs2)nc(N(C)C)n1 O=C(C(F)(F)F)[*:1] CSc1nc(/N=C/C(=C([O-])c2cccs2)/[*:1])nc(n1)N(C)C
CSc1nc(/N=C/C(C(=O)C(F)(F)F)=C(/[O-])c2cccs2)nc(N(C)C)n1 CN(C)[*:1] CSc1nc(/N=C/C(C(=O)C(F)(F)F)=C(/[O-])c2cccs2)nc(n1)[*:1]
CSc1nc(/N=C/C(C(=O)C(F)(F)F)=C(/[O-])c2cccs2)nc(N(C)C)n1 FC(F)(F)[*:1] CSc1nc(/N=C/C(C(=O)[*:1])=C(/[O-])c2cccs2)nc(n1)N(C)C
CSc1nc(/N=C/C(C(=O)C(F)(F)F)=C(/[O-])c2cccs2)nc(N(C)C)n1 c1csc(c1)[*:1] CSc1nc(/N=C/C(C(=O)C(F)(F)F)=C(/[O-])[*:1])nc(n1)N(C)C
COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(OC)c1 COC(=O)[*:1] COc1cccc(c1)[N-]S(=O)(=O)c1cccc(C)c1[*:1]
C[C@@H](C(=O)OCc1nccn1C)c1cccc(F)c1 Cn1ccnc1[*:1] C[C@@H](C(=O)OC[*:1])c1cccc(F)c1
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C1CC1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2)c(n1)[*:1])C1CC1
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C1CC1 O=C(CS[*:1])C1CC1 c1ccc(cc1)-c1nnc(nc1-c1ccccc1)[*:1]
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C1CC1 C1CC1[*:1] O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)[*:1]
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C1CC1 c1ccc(cc1)[*:1] O=C(CSc1nnc(c(n1)-c1ccccc1)[*:1])C1CC1
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C1CC1 O=C(C1CC1)[*:1] c1ccc(cc1)-c1nnc(nc1-c1ccccc1)SC[*:1]
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C1CC1 O=C(C[*:1])C1CC1 c1ccc(cc1)-c1nnc(nc1-c1ccccc1)S[*:1]
C[C@@H](c1cccnc1)N1CCN(Cc2ccc(Br)s2)CC1 c1cncc(c1)[*:1] C[C@@H](N1CCN(CC1)Cc1ccc(Br)s1)[*:1]
C[C@@H](c1cccnc1)N1CCN(Cc2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] C[C@@H](c1cccnc1)N1CCN(CC1)C[*:1]
C[C@@H](c1cccnc1)N1CCN(Cc2ccc(Br)s2)CC1 Brc1ccc(C[*:1])s1 C[C@@H](c1cccnc1)N1CCN(CC1)[*:1]
O=C([O-])[C@H]1CCCN1C(=S)Nc1ccccc1 O=C([O-])[*:1] S=C(Nc1ccccc1)N1CCC[C@@H]1[*:1]
C[NH2+]C[C@H](C)C(=O)N1[C@H](C(C)C)SC[C@H]1C(=O)[O-] CC(C)[*:1] C[NH2+]C[C@H](C)C(=O)N1[C@H](SC[C@H]1C(=O)[O-])[*:1]
C[NH2+]C[C@H](C)C(=O)N1[C@H](C(C)C)SC[C@H]1C(=O)[O-] O=C([O-])[*:1] C[NH2+]C[C@H](C)C(=O)N1[C@@H](SC[C@@H]1[*:1])C(C)C
CCOc1ccc(Br)cc1S(=O)(=O)n1c(C)nc2ccccc21 CCO[*:1] Cc1nc2ccccc2n1S(=O)(=O)c1cc(Br)ccc1[*:1]
[NH3+][C@@H]1CC[C@@]2(CCN(C(=O)OCc3ccccc3)C2)C1 c1ccc(cc1)[*:1] [NH3+][C@@H]1CC[C@@]2(CCN(C2)C(=O)OC[*:1])C1
O=C(CS(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)Cc1ccc(cc1)C(=O)N1CCCC1)N[*:1]
O=C(CS(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1)Nc1ccccc1 O=C(N1CCCC1)[*:1] O=C(CS(=O)(=O)Cc1ccc(cc1)[*:1])Nc1ccccc1
O=C(CS(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(c1ccc(cc1)CS(=O)(=O)C[*:1])N1CCCC1
CC[C@@H](C)Oc1cccc(NC(=O)C[NH+](C)C)c1 CC[C@@H](C)[*:1] C[NH+](C)CC(=O)Nc1cccc(c1)O[*:1]
CC[C@@H](C)Oc1cccc(NC(=O)C[NH+](C)C)c1 CC[C@@H](C)O[*:1] C[NH+](C)CC(=O)Nc1cccc(c1)[*:1]
CCN(CC)C(=O)CCC(=O)N[C@H]1CCc2cc(Cl)ccc21 CCN(CC)C(=O)[*:1] O=C(CC[*:1])N[C@H]1CCc2cc(Cl)ccc21
COC(=O)c1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)s1 COC(=O)[*:1] O=C(c1ccc(s1)[*:1])N1CCC[C@H]2CCCC[C@H]21
Cc1nn(Cc2ccc(Br)cc2)c(C)c1N=C=S S=C=N[*:1] Cc1nn(Cc2ccc(Br)cc2)c(C)c1[*:1]
C#CCNC(=O)NCc1ccccc1CC C#CC[*:1] CCc1ccccc1CNC(=O)N[*:1]
COc1ccc(-c2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1O CC(C)(C)[*:1] COc1ccc(cc1O)-c1cccc(c1)S(=O)(=O)N[*:1]
Cc1ccc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](NC(=O)NCc1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)NCc1cccc(c1)[*:1]
C[C@@H](OC(=O)CCN1CCCC1=O)c1cccc(C#N)c1 O=C1CCCN1[*:1] C[C@@H](OC(=O)CC[*:1])c1cccc(C#N)c1
C[C@@H](OC(=O)CCN1CCCC1=O)c1cccc(C#N)c1 O=C1CCCN1C[*:1] C[C@@H](OC(=O)C[*:1])c1cccc(C#N)c1
COc1ccc(-c2cc(C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)n(C)n2)cc1 COc1ccc(cc1)[*:1] Cn1nc(cc1C(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2)[*:1]
Cc1nccn1-c1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](O)C2)cn1 Cc1nccn1[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCc1ccc(nc1)[*:1]
C[C@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1c(F)cccc1Cl O=C1OCCN1[*:1] C[C@H](N[C@H](C)c1ccc(cc1)[*:1])c1c(F)cccc1Cl
C[C@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] C[C@H](N[C@H](C)c1ccc(cc1)N1CCOC1=O)[*:1]
C#CC[C@@H](OC(=O)c1cnc(OCC)c(Cl)c1)C1CC1 C#CC[*:1] CCOc1ncc(cc1Cl)C(=O)O[C@@H](C1CC1)[*:1]
C#CC[C@@H](OC(=O)c1cnc(OCC)c(Cl)c1)C1CC1 C1CC1[*:1] C#CC[C@@H](OC(=O)c1cnc(OCC)c(Cl)c1)[*:1]
C#CC[C@@H](OC(=O)c1cnc(OCC)c(Cl)c1)C1CC1 CCO[*:1] C#CC[C@@H](OC(=O)c1cnc(c(Cl)c1)[*:1])C1CC1
Cc1nn(C)cc1NCc1ccnn1C1CCCC1 C1CCC(C1)[*:1] Cc1nn(C)cc1NCc1ccnn1[*:1]
COC(CN(C)c1c[nH]c(=O)[nH]c1=O)OC COC(OC)[*:1] CN(C[*:1])c1c[nH]c(=O)[nH]c1=O
CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O O=[N+]([O-])c1cccc(c1)[*:1] CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H]([C@@H]2C1=O)[*:1]
CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O Clc1ccc(cc1)[*:1] CCCCN1C(=O)[C@H]2ON([C@H](c3cccc(c3)[N+](=O)[O-])[C@@H]2C1=O)[*:1]
CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O CCC[*:1] O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc(c3)[N+](=O)[O-])[C@@H]2C(=O)N1C[*:1]
CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O CCCC[*:1] O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc(c3)[N+](=O)[O-])[C@@H]2C(=O)N1[*:1]
CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O O=[N+]([O-])[*:1] CCCCN1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc(c3)[*:1])[C@@H]2C1=O
Cc1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n(C)n1 Cc1cc(n(C)n1)[*:1] CN(CC(=O)N[*:1])c1ccccc1[N+](=O)[O-]
Cc1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n(C)n1 O=[N+]([O-])[*:1] Cc1cc(NC(=O)CN(C)c2ccccc2[*:1])n(C)n1
Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1I Clc1ccc(nc1)[*:1] Cc1ccc(cc1I)N[C@@H](C)C(=O)N[*:1]
CCCc1nc(C)c(C(=O)N[C@H](C(N)=O)[C@H](C)CC)s1 NC(=O)[*:1] CCCc1nc(C)c(s1)C(=O)N[C@H]([C@H](C)CC)[*:1]
CCCc1nc(C)c(C(=O)N[C@H](C(N)=O)[C@H](C)CC)s1 CC[C@@H](C)[*:1] CCCc1nc(C)c(s1)C(=O)N[C@H](C(N)=O)[*:1]
CCCc1nc(C)c(C(=O)N[C@H](C(N)=O)[C@H](C)CC)s1 CCC[*:1] CC[C@@H](C)[C@H](NC(=O)c1sc(nc1C)[*:1])C(N)=O
COC(=O)[C@@H](NC[C@H]1CCCO1)c1ccccc1Cl C1CO[C@H](C1)C[*:1] COC(=O)[C@@H](N[*:1])c1ccccc1Cl
COC(=O)[C@@H](NC[C@H]1CCCO1)c1ccccc1Cl C1CO[C@H](C1)[*:1] COC(=O)[C@@H](NC[*:1])c1ccccc1Cl
COC(=O)[C@@H](NC[C@H]1CCCO1)c1ccccc1Cl COC(=O)[*:1] Clc1ccccc1[C@H](NC[C@H]1CCCO1)[*:1]
O=C([O-])c1cc(Br)cn(Cc2cccc(F)c2)c1=O O=C([O-])[*:1] O=c1c(cc(Br)cn1Cc1cccc(F)c1)[*:1]
COc1ccc(Cl)cc1C(=O)NNC(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(Cl)cc1C(=O)NNC(=O)NC[*:1]
COc1ccc(Cl)cc1C(=O)NNC(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(Cl)cc1C(=O)NNC(=O)N[*:1]
Cn1nnc2c(N3CCN(CC(=O)NCc4ccccc4Cl)CC3)ncnc21 Clc1ccccc1[*:1] Cn1nnc2c(ncnc21)N1CCN(CC1)CC(=O)NC[*:1]
Cn1nnc2c(N3CCN(CC(=O)NCc4ccccc4Cl)CC3)ncnc21 Clc1ccccc1C[*:1] Cn1nnc2c(ncnc21)N1CCN(CC1)CC(=O)N[*:1]
Cc1nc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c2cc[nH]c2n1 C1CN(CCO1)[*:1] Cc1nc(NC[C@H]([C@@H]2CCOC2)[*:1])c2cc[nH]c2n1
Cc1nc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c2cc[nH]c2n1 C1C[C@H](CO1)[*:1] Cc1nc(NC[C@H](N2CCOCC2)[*:1])c2cc[nH]c2n1
Cc1ccc(C)c(-n2ccnc2SCC(=O)NCc2ccccn2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nccn1[*:1])NCc1ccccn1
Cc1ccc(C)c(-n2ccnc2SCC(=O)NCc2ccccn2)c1 c1ccc(nc1)[*:1] Cc1ccc(C)c(c1)-n1ccnc1SCC(=O)NC[*:1]
Cc1ccc(C)c(-n2ccnc2SCC(=O)NCc2ccccn2)c1 c1ccc(C[*:1])nc1 Cc1ccc(C)c(c1)-n1ccnc1SCC(=O)N[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 CC(C)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1ccc(cc1)[*:1])C1CC1
Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 C1CC1[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1ccc(cc1)C(C)C)[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 CC(C)c1ccc(cc1)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)N(C[*:1])C1CC1
CN(C(=O)CN1CCCS1(=O)=O)[C@H]1CCc2ccccc21 O=S1(=O)CCCN1[*:1] CN(C(=O)C[*:1])[C@H]1CCc2ccccc21
CC(C)(C)c1nc(C[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)cs1 CC(C)(C)c1nc(cs1)[*:1] c1ccc(cc1)-n1nnnc1N1CC[NH+](CC1)C[*:1]
CC(C)(C)c1nc(C[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)cs1 c1ccc(cc1)[*:1] CC(C)(C)c1nc(cs1)C[NH+]1CCN(CC1)c1nnnn1[*:1]
CC(C)(C)c1nc(C[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)cs1 CC(C)(C)[*:1] c1ccc(cc1)-n1nnnc1N1CC[NH+](CC1)Cc1csc(n1)[*:1]
CCCc1cc(NC(=O)NCCc2sc(C)nc2C)n(C)n1 CCC[*:1] Cc1nc(C)c(CCNC(=O)Nc2cc(nn2C)[*:1])s1
CCCc1cc(NC(=O)NCCc2sc(C)nc2C)n(C)n1 Cc1nc(C)c(s1)[*:1] CCCc1cc(NC(=O)NCC[*:1])n(C)n1
CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1C CCOC(=O)[*:1] Cc1[nH]c(c(C)c1C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1)[*:1]
CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1C Brc1ccc(cc1)[*:1] CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c1C
CC(C)N1C[C@H](CC[NH3+])C(c2ccccc2)(c2ccccc2)C1=O CC(C)[*:1] [NH3+]CC[C@H]1CN(C(=O)C1(c1ccccc1)c1ccccc1)[*:1]
CC(C)N1C[C@H](CC[NH3+])C(c2ccccc2)(c2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)N1C[C@H](CC[NH3+])C(C1=O)(c1ccccc1)[*:1]
C=CCN1CCN(C2=[NH+]C[C@@H](C)S2)CC1 C=CC[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)[*:1]
COc1ccc(-n2nc(-c3ccccc3)n(CC(=O)N(C)CC(C)C)c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-n1nc(n(CC(=O)N(C)CC(C)C)c1=O)[*:1]
COc1ccc(-n2nc(-c3ccccc3)n(CC(=O)N(C)CC(C)C)c2=O)cc1 COc1ccc(cc1)[*:1] CC(C)CN(C)C(=O)Cn1c(nn(c1=O)[*:1])-c1ccccc1
COc1ccc(-n2nc(-c3ccccc3)n(CC(=O)N(C)CC(C)C)c2=O)cc1 CC(C)C[*:1] COc1ccc(cc1)-n1nc(-c2ccccc2)n(CC(=O)N(C)[*:1])c1=O
COc1ccc(-n2nc(-c3ccccc3)n(CC(=O)N(C)CC(C)C)c2=O)cc1 CC(C)CN(C)C(=O)C[*:1] COc1ccc(cc1)-n1nc(-c2ccccc2)n(c1=O)[*:1]
COc1ccc(-n2nc(-c3ccccc3)n(CC(=O)N(C)CC(C)C)c2=O)cc1 CC(C)CN(C)C(=O)[*:1] COc1ccc(cc1)-n1nc(-c2ccccc2)n(C[*:1])c1=O
COc1ccc(-n2nc(-c3ccccc3)n(CC(=O)N(C)CC(C)C)c2=O)cc1 CC(C)[*:1] COc1ccc(cc1)-n1nc(-c2ccccc2)n(CC(=O)N(C)C[*:1])c1=O
COc1ccc(Cn2c(NC3CCN(C(=O)OC(C)(C)C)CC3)[nH+]c3ccccc32)cc1 CC(C)(C)[*:1] COc1ccc(cc1)Cn1c(NC2CCN(CC2)C(=O)O[*:1])[nH+]c2ccccc21
COc1ccc(Cn2c(NC3CCN(C(=O)OC(C)(C)C)CC3)[nH+]c3ccccc32)cc1 COc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)Nc1[nH+]c2ccccc2n1C[*:1]
COc1ccc(Cn2c(NC3CCN(C(=O)OC(C)(C)C)CC3)[nH+]c3ccccc32)cc1 COc1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CCC(CC1)Nc1[nH+]c2ccccc2n1[*:1]
CS[C@@H](C)c1cccc(NC(=O)c2cc(C#N)cn2C)c1 CS[C@@H](C)[*:1] Cn1cc(C#N)cc1C(=O)Nc1cccc(c1)[*:1]
CC(C)(C)c1nnc(SCC(=O)N2CCCC2)n1N CC(C)(C)[*:1] Nn1c(nnc1[*:1])SCC(=O)N1CCCC1
Cc1cc(C)cc(C(=O)NCC(=O)N[C@H](C)[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)N[C@H](C)[*:1]
O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC(CC1)COC[*:1]
O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC(CC1)CO[*:1]
O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC(COCc2ccccc2)CC1 c1csc(c1)[*:1] O=C([C@@H]1CCCN1S(=O)(=O)[*:1])N1CCC(CC1)COCc1ccccc1
O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)COC[*:1] O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC(CC1)[*:1]
O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)CO[*:1] O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC(CC1)C[*:1]
COC[C@@H](C)N1CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC1 COC[C@@H](C)[*:1] O=C(Cc1c[nH]c2cc(F)ccc12)N1CCN(CC1)[*:1]
COC[C@@H](C)N1CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC1 COC[*:1] C[C@@H](N1CCN(CC1)C(=O)Cc1c[nH]c2cc(F)ccc12)[*:1]
CCOc1cc2c(cc1CN1CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C1)OCO2 CCO[*:1] Cc1nc([nH]c(=O)c1C)[C@@H]1CCCN(Cc2cc3OCOc3cc2[*:1])C1
CCOc1cc2c(cc1CN1CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C1)OCO2 Cc1nc([nH]c(=O)c1C)[*:1] CCOc1cc2OCOc2cc1CN1CCC[C@@H](C1)[*:1]
CCc1nn(C)cc1CNC(=O)c1cc2ccc(C)cc2nc1C CCc1nn(C)cc1[*:1] Cc1ccc2cc(C(=O)NC[*:1])c(C)nc2c1
O=C(NCc1ccccc1)c1ccccc1OS(=O)(=O)c1ccccc1C(F)(F)F c1ccc(cc1)[*:1] O=C(NC[*:1])c1ccccc1OS(=O)(=O)c1ccccc1C(F)(F)F
O=C(NCc1ccccc1)c1ccccc1OS(=O)(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCc1ccccc1)c1ccccc1OS(=O)(=O)c1ccccc1[*:1]
O=C(NCc1ccccc1)c1ccccc1OS(=O)(=O)c1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] O=C(NCc1ccccc1)c1ccccc1OS(=O)(=O)[*:1]
O=C(NCc1ccccc1)c1ccccc1OS(=O)(=O)c1ccccc1C(F)(F)F O=C(NCc1ccccc1)[*:1] O=S(=O)(Oc1ccccc1[*:1])c1ccccc1C(F)(F)F
O=C(NCc1ccccc1)c1ccccc1OS(=O)(=O)c1ccccc1C(F)(F)F c1ccc(cc1)C[*:1] O=C(N[*:1])c1ccccc1OS(=O)(=O)c1ccccc1C(F)(F)F
O=C1[C@@H]2CS[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H]2CS[C@@H](c3cccc(c3)[N+](=O)[O-])N2C(=O)N1[*:1]
O=C1[C@@H]2CS[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)N1c1ccccc1 O=[N+]([O-])[*:1] O=C1[C@@H]2CS[C@@H](c3cccc(c3)[*:1])N2C(=O)N1c1ccccc1
COc1ccc(C(=O)N(C)Cc2ccc(Br)o2)cc1OC Brc1ccc(o1)[*:1] COc1ccc(cc1OC)C(=O)N(C)C[*:1]
COc1ccc(C(=O)N(C)Cc2ccc(Br)o2)cc1OC Brc1ccc(C[*:1])o1 COc1ccc(cc1OC)C(=O)N(C)[*:1]
Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]([C@@H]1C)[*:1]
Cc1cc(C)c(NC(=O)CS(=O)(=O)Cc2ccc(OC(F)F)cc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CS(=O)(=O)Cc1ccc(cc1)OC(F)F)N[*:1]
Cc1cc(C)c(NC(=O)CS(=O)(=O)Cc2ccc(OC(F)F)cc2)c(C)c1 FC(F)O[*:1] Cc1cc(C)c(NC(=O)CS(=O)(=O)Cc2ccc(cc2)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CS(=O)(=O)Cc2ccc(OC(F)F)cc2)c(C)c1 FC(F)[*:1] Cc1cc(C)c(NC(=O)CS(=O)(=O)Cc2ccc(cc2)O[*:1])c(C)c1
CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(N)nc1 CC[C@H](C)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(N)nc1
CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(N)nc1 CC[C@H](C)C[*:1] CCN(S(=O)(=O)c1ccc(N)nc1)[*:1]
COc1ccccc1/C=C/C(=O)NCCc1c[nH]c2ccc(Cl)cc12 COc1ccccc1[*:1] O=C(C=C[*:1])NCCc1c[nH]c2ccc(Cl)cc12
COc1cccc(CCNc2ncnc3c2oc2ccccc23)c1 COc1cccc(c1)[*:1] c1ccc2c(c1)oc1c(ncnc12)NCC[*:1]
COC[C@@H]1CCCN1C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 COC[*:1] COc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCC[C@H]1[*:1]
CCCC(=O)Nc1nn2c(-c3ccc(OC)cc3)nnc2s1 CCCC(=O)N[*:1] COc1ccc(cc1)-c1nnc2sc(nn12)[*:1]
CCCC(=O)Nc1nn2c(-c3ccc(OC)cc3)nnc2s1 CCC[*:1] COc1ccc(cc1)-c1nnc2sc(nn12)NC(=O)[*:1]
CCCCn1nc(C)c(CN2CCNC(=O)[C@@H]2CC)c1Cl CCCC[*:1] CC[C@H]1C(=O)NCCN1Cc1c(C)nn(c1Cl)[*:1]
CCCCn1nc(C)c(CN2CCNC(=O)[C@@H]2CC)c1Cl CCC[*:1] CC[C@H]1C(=O)NCCN1Cc1c(C)nn(C[*:1])c1Cl
O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1O Oc1ccc(cc1)[*:1] O=C1c2c(O)cc(O)cc2O[C@@H]([C@@H]1O)[*:1]
O=C(NCCOc1ccccc1-c1ccccc1)c1ccc2[nH]nnc2c1 c1cc2[nH]nnc2cc1[*:1] O=C(NCCOc1ccccc1-c1ccccc1)[*:1]
O=C(NCCOc1ccccc1-c1ccccc1)c1ccc2[nH]nnc2c1 c1ccc(cc1)[*:1] O=C(NCCOc1ccccc1[*:1])c1ccc2[nH]nnc2c1
Cc1nc(CC[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cs1 Clc1ccc(cc1)[*:1] Cc1nc(cs1)CC[NH+]1CCC(CC1)O[*:1]
Cc1nc(CC[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cs1 Cc1nc(cs1)[*:1] Clc1ccc(cc1)OC1CC[NH+](CC1)CC[*:1]
Cc1nc(CC[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cs1 Cc1nc(cs1)C[*:1] Clc1ccc(cc1)OC1CC[NH+](CC1)C[*:1]
C[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H](C)CO O=[N+]([O-])[*:1] C[C@H](Nc1ccccc1[*:1])[C@@H](C)CO
C[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H](C)CO C[C@@H](CO)[*:1] C[C@H](Nc1ccccc1[N+](=O)[O-])[*:1]
C[C@H](NC(=O)NCc1ccnc(OC2CCC2)c1)c1nnc2ccccn12 C1CC(C1)O[*:1] C[C@H](NC(=O)NCc1ccnc(c1)[*:1])c1nnc2ccccn12
C[C@H](NC(=O)NCc1ccnc(OC2CCC2)c1)c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] C[C@H](NC(=O)NCc1ccnc(c1)OC1CCC1)[*:1]
C[C@H](NC(=O)NCc1ccnc(OC2CCC2)c1)c1nnc2ccccn12 C1CC(C1)[*:1] C[C@H](NC(=O)NCc1ccnc(c1)O[*:1])c1nnc2ccccn12
NC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)CSc1nc(C2CC2)n(n1)[*:1]
NC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 NC(=O)[*:1] O=C(CSc1nc(C2CC2)n(n1)-c1ccccc1)Nc1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 C1CC1[*:1] NC(=O)c1ccc(cc1)NC(=O)CSc1nc(n(n1)-c1ccccc1)[*:1]
NC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(CSc1nc(C2CC2)n(n1)-c1ccccc1)N[*:1]
Cc1ccccc1C(=O)NCC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccccc1C(=O)NCC(=O)Nc1ccc(C)c(c1)[*:1]
Cc1ccccc1C(=O)NCC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 Cc1ccccc1[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)CNC(=O)[*:1]
Cc1nc(CNC(=O)NCC(C2CC2)C2CC2)oc1C C1CC1[*:1] Cc1nc(CNC(=O)NCC(C2CC2)[*:1])oc1C
Cc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)n1 c1cncc(c1)O[*:1] Cc1n[nH]c(n1)[C@H]1CN(CCO1)C(=O)[C@@H](C)[*:1]
Cc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)n1 c1cncc(c1)[*:1] Cc1n[nH]c(n1)[C@H]1CN(CCO1)C(=O)[C@@H](C)O[*:1]
Cc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)n1 Cc1n[nH]c(n1)[*:1] C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@H](C1)[*:1]
O=C(CCc1cccc(Cl)c1)Nc1c(F)cc(F)cc1F Clc1cccc(c1)[*:1] O=C(CC[*:1])Nc1c(F)cc(F)cc1F
C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C)C[C@H]1n1cc[nH+]c1 C[C@H]1OCC[C@H]1[*:1] C[C@@H]1CCN(C[C@H]1n1cc[nH+]c1)C(=O)[*:1]
Cc1cc(S(=O)(=O)N(C)CCC(C)C)sc1Br CC(C)[*:1] Cc1cc(sc1Br)S(=O)(=O)N(C)CC[*:1]
Cc1cc(S(=O)(=O)N(C)CCC(C)C)sc1Br CC(C)C[*:1] Cc1cc(sc1Br)S(=O)(=O)N(C)C[*:1]
Cc1cc(S(=O)(=O)N(C)CCC(C)C)sc1Br CC(C)CC[*:1] Cc1cc(sc1Br)S(=O)(=O)N(C)[*:1]
CCC(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1C CCC(=O)N[*:1] Cc1ccc2oc(nc2c1)-c1cccc(c1C)[*:1]
CCCC1=C2[C@@H](N=N1)OC(N)=C(C#N)[C@@H]2c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCCC1N=N[C@H]2OC(N)=C(C#N)[C@@H](C=12)c1ccc(cc1)[*:1]
CCCC1=C2[C@@H](N=N1)OC(N)=C(C#N)[C@@H]2c1ccc(C(F)(F)F)cc1 CCC[*:1] N#CC1=C(N)O[C@@H]2N=NC(=C2[C@H]1c1ccc(cc1)C(F)(F)F)[*:1]
CCc1nc(CNC(=O)[C@H]2C[C@H]2C)cs1 C[C@@H]1C[C@@H]1[*:1] CCc1nc(cs1)CNC(=O)[*:1]
CCCn1nc(C)c2c(C(=O)[O-])cc(C)nc21 CCC[*:1] Cc1cc(C(=O)[O-])c2c(C)nn(c2n1)[*:1]
CCCn1nc(C)c2c(C(=O)[O-])cc(C)nc21 O=C([O-])[*:1] CCCn1nc(C)c2c(cc(C)nc21)[*:1]
CC(C)C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1nc2ccccc2[nH]1 CC(C)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](C[*:1])c1nc2ccccc2[nH]1
CC(C)C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1nc2ccccc2[nH]1 CS(=O)(=O)[*:1] CC(C)C[C@H](NC(=O)c1cccc(c1)[*:1])c1nc2ccccc2[nH]1
CC(C)C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)C[C@H](NC(=O)c1cccc(c1)S(C)(=O)=O)[*:1]
CC(C)C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1nc2ccccc2[nH]1 CC(C)C[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CCC(=O)N1CCN(C(=O)c2cc(C(C)C)no2)CC1 CC(C)[*:1] CCC(=O)N1CCN(CC1)C(=O)c1cc(no1)[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C(=O)NC3CCCCC3)C(C)C)ccc21 O=C(NC1CCCCC1)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C(=O)NC3CCCCC3)C(C)C)ccc21 C1CCC(CC1)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N[C@@H](C(=O)N[*:1])C(C)C
CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C(=O)NC3CCCCC3)C(C)C)ccc21 CC(C)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N[C@@H](C(=O)NC1CCCCC1)[*:1]
C[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 C1CC1[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1
C[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 NC(=O)[*:1] C[C@H](NC(=O)C1CC1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(n(C)c1)[*:1]
C[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 Cn1cc(cc1C(N)=O)[*:1] C[C@H](NC(=O)C1CC1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 O=C(N[*:1])C1CC1 C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1)[*:1]
C[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 C[C@H](NC(=O)C1CC1)[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1nn(C)c2c1[nH]c(=S)n2CCCOc1ccccc1 c1ccc(cc1)O[*:1] Cc1nn(C)c2c1[nH]c(=S)n2CCC[*:1]
Cc1nn(C)c2c1[nH]c(=S)n2CCCOc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)c2c1[nH]c(=S)n2CCCO[*:1]
CC(=O)Nc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 CC(=O)N[*:1] Cc1c(-c2ccccc2)c(=O)oc2ccc(cc12)[*:1]
CC(=O)Nc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc2oc(=O)c(c(C)c2c1)[*:1]
CCCN(c1ccccc1C(N)=S)C1CC1 CCC[*:1] NC(=S)c1ccccc1N(C1CC1)[*:1]
CCCN(c1ccccc1C(N)=S)C1CC1 C1CC1[*:1] CCCN(c1ccccc1C(N)=S)[*:1]
CCCN(c1ccccc1C(N)=S)C1CC1 NC(=S)[*:1] CCCN(c1ccccc1[*:1])C1CC1
COc1cccc(O[C@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)c1 COc1cccc(c1)[*:1] CC(=O)N[C@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@@H]1O[*:1]
COc1cccc(O[C@H]2O[C@@H]3COC(C)(C)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)c1 CC(=O)N[*:1] COc1cccc(c1)O[C@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](O)[C@H]1[*:1]
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 COc1cccc(c1)[*:1] COC(=O)c1ccc(/C=C(/C#N)c2nc(cs2)[*:1])cc1
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 COC(=O)[*:1] COc1cccc(c1)-c1csc(n1)/C(C#N)=C\c1ccc(cc1)[*:1]
COC(=O)CC(=O)c1cc(Cl)cc(Cl)c1 COC(=O)[*:1] O=C(C[*:1])c1cc(Cl)cc(Cl)c1
COC(=O)CC(=O)c1cc(Cl)cc(Cl)c1 COC(=O)C[*:1] O=C(c1cc(Cl)cc(Cl)c1)[*:1]
CC[C@H](c1ccc(F)cc1F)S(=O)(=O)c1ncc[nH]1 c1c[nH]c(n1)[*:1] CC[C@H](c1ccc(F)cc1F)S(=O)(=O)[*:1]
Fc1ccc(-c2nnc(CN3CCc4c(F)ccc(F)c4C3)o2)cc1 Fc1ccc(cc1)[*:1] Fc1ccc(F)c2CN(CCc12)Cc1nnc(o1)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)c1cnc2ccccn2c1=O N#CC[*:1] O=C(c1cnc2ccccn2c1=O)N(CCC(F)(F)F)C[*:1]
N#CCCN(CCC(F)(F)F)C(=O)c1cnc2ccccn2c1=O FC(F)(F)C[*:1] N#CCCN(C[*:1])C(=O)c1cnc2ccccn2c1=O
N#CCCN(CCC(F)(F)F)C(=O)c1cnc2ccccn2c1=O FC(F)(F)CC[*:1] N#CCCN(C(=O)c1cnc2ccccn2c1=O)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)c1cnc2ccccn2c1=O FC(F)(F)[*:1] N#CCCN(CC[*:1])C(=O)c1cnc2ccccn2c1=O
N#CCCN(CCC(F)(F)F)C(=O)c1cnc2ccccn2c1=O N#CCC[*:1] O=C(c1cnc2ccccn2c1=O)N(CCC(F)(F)F)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]1c1cccn1C Cn1cccc1[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]1[*:1]
CCC(CC)[NH2+]CCc1csc(C(C)(C)C)n1 CC(C)(C)[*:1] CCC(CC)[NH2+]CCc1csc(n1)[*:1]
CCC(CC)[NH2+]CCc1csc(C(C)(C)C)n1 CCC(CC)[*:1] CC(C)(C)c1nc(cs1)CC[NH2+][*:1]
N#C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCCO)cc2)C1 OCC[*:1] N#C[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
N#C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCCO)cc2)C1 OCCC[*:1] N#C[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
N#C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCCO)cc2)C1 O=S(=O)(NCCCO)[*:1] N#C[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ccc(NC(N)=O)cn2)n1 NC(=O)N[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)[*:1]
CCCO[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCCCO3)C1 CCC[*:1] O=C(Nc1ccc2OCCCOc2c1)N1CCC[C@H](C1)O[*:1]
CCCO[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCCCO3)C1 CCCO[*:1] O=C(Nc1ccc2OCCCOc2c1)N1CCC[C@H](C1)[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2)s1 CCc1nnc(s1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2)N1[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2)s1 c1ccc(cc1)[*:1] CCc1nnc(s1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
C/C(=C\C(=O)N1CCOC[C@@H]1C1CC1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)N1CCOC[C@@H]1C1CC1)[*:1]
C/C(=C\C(=O)N1CCOC[C@@H]1C1CC1)C(C)(C)C C1CC1[*:1] C/C(=C\C(=O)N1CCOC[C@H]1[*:1])C(C)(C)C
CCOC(=O)C1=C[C@@H](S(=O)(=O)N2CCC(C(N)=O)CC2)N=N1 NC(=O)[*:1] CCOC(=O)C1=C[C@H](N=N1)S(=O)(=O)N1CCC(CC1)[*:1]
CCOC(=O)C1=C[C@@H](S(=O)(=O)N2CCC(C(N)=O)CC2)N=N1 CCOC(=O)[*:1] NC(=O)C1CCN(CC1)S(=O)(=O)[C@@H]1C=C(N=N1)[*:1]
OC[C@H](O)CSCc1ncon1 OC[C@H](O)[*:1] c1nc(CSC[*:1])no1
CS(=O)(=O)N1CCN(C(=O)CCOc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)CCO[*:1]
COc1ccc(NC(=O)[C@@H]2C=C(c3ccccn3)N=N2)cc1Cl c1ccc(nc1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@@H]1C=C(N=N1)[*:1]
C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1cccs1 c1csc(c1)[*:1] C[C@@H]([NH2+][C@H]1CCCc2cccnc21)[*:1]
CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21 Fc1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21)[*:1]
CCOc1ccc2nc(SCc3ncoc3C(C)C)[nH]c2c1 CC(C)[*:1] CCOc1ccc2nc([nH]c2c1)SCc1ncoc1[*:1]
CCOc1ccc2nc(SCc3ncoc3C(C)C)[nH]c2c1 CCO[*:1] CC(C)c1ocnc1CSc1nc2ccc(cc2[nH]1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 O=C([O-])[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)S(=O)(=O)CC1(CC1)C[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 O=C([O-])CC1(CC1)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)S(=O)(=O)C[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 O=C([O-])C[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)S(=O)(=O)CC1(CC1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](S(=O)(=O)CC2(CC(=O)[O-])CC2)C1 CS(=O)(=O)[*:1] O=C([O-])CC1(CC1)CS(=O)(=O)[C@@H]1CCC[C@@H](C1)[*:1]
C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] C[C@H](NC(=O)C[C@H](O)[*:1])c1ccc(Cl)cc1Cl
Cc1nn(C(C)C)c(C)c1CN1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 CC(C)[*:1] Cc1nn(c(C)c1CN1C[C@@H]2c3ccccc3OC[C@@]2(C1)C(=O)[O-])[*:1]
Cc1nn(C(C)C)c(C)c1CN1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 O=C([O-])[*:1] Cc1nn(c(C)c1CN1C[C@@H]2c3ccccc3OC[C@@]2(C1)[*:1])C(C)C
Cc1nc([C@@]2(C)CCCO2)nc(C)c1C[NH2+]C(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[NH2+][*:1])[C@@]1(C)CCCO1
Cc1nc([C@@]2(C)CCCO2)nc(C)c1C[NH2+]C(C)C CC(C)[NH2+]C[*:1] Cc1nc(nc(C)c1[*:1])[C@@]1(C)CCCO1
Cc1nc([C@@]2(C)CCCO2)nc(C)c1C[NH2+]C(C)C C[C@]1(CCCO1)[*:1] Cc1nc(nc(C)c1C[NH2+]C(C)C)[*:1]
CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C)C1 CC[C@H](C)[*:1] C[C@H]1CCCN(C1)C(=O)[C@H](NC(=O)c1ccc(Cl)cc1)[*:1]
CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C)C1 Clc1ccc(cc1)[*:1] CC[C@H](C)[C@@H](NC(=O)[*:1])C(=O)N1CCC[C@H](C)C1
O=C(CS(=O)(=O)c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])Nc1c(Cl)cc(Cl)cc1Cl
O=c1ccc(-c2nc(Cc3cccs3)nn2[C@H]2CCS(=O)(=O)C2)c[nH]1 O=c1ccc(c[nH]1)[*:1] O=S1(=O)CC[C@@H](C1)n1nc(Cc2cccs2)nc1[*:1]
O=c1ccc(-c2nc(Cc3cccs3)nn2[C@H]2CCS(=O)(=O)C2)c[nH]1 c1csc(c1)C[*:1] O=c1ccc(c[nH]1)-c1nc(nn1[C@H]1CCS(=O)(=O)C1)[*:1]
O=c1ccc(-c2nc(Cc3cccs3)nn2[C@H]2CCS(=O)(=O)C2)c[nH]1 c1csc(c1)[*:1] O=c1ccc(c[nH]1)-c1nc(C[*:1])nn1[C@H]1CCS(=O)(=O)C1
CCOC(=O)C(C)(C)N(C)Cc1ccc(OC)s1 CCOC(=O)[*:1] COc1ccc(CN(C)C(C)(C)[*:1])s1
CCO[C@@H](C)c1noc(CN/C(=[NH+]/C)N2CCC[C@H](C)C2)n1 CCO[C@@H](C)[*:1] C/[NH+]=C(/NCc1nc(no1)[*:1])N1CCC[C@H](C)C1
CCO[C@@H](C)c1noc(CN/C(=[NH+]/C)N2CCC[C@H](C)C2)n1 CCO[*:1] C/[NH+]=C(/NCc1nc(no1)[C@H](C)[*:1])N1CCC[C@H](C)C1
CN(C(=O)NCC(=O)N1CCCC1)[C@@H](c1ccccc1)c1ccc(F)cc1 O=C(C[*:1])N1CCCC1 CN(C(=O)N[*:1])[C@@H](c1ccccc1)c1ccc(F)cc1
CN(C(=O)NCC(=O)N1CCCC1)[C@@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)NCC(=O)N1CCCC1)[C@@H](c1ccccc1)[*:1]
CN(C(=O)NCC(=O)N1CCCC1)[C@@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CN(C(=O)NCC(=O)N1CCCC1)[C@@H](c1ccc(F)cc1)[*:1]
CN(C(=O)NCC(=O)N1CCCC1)[C@@H](c1ccccc1)c1ccc(F)cc1 O=C(N1CCCC1)[*:1] CN(C(=O)NC[*:1])[C@@H](c1ccccc1)c1ccc(F)cc1
O=C(CNC(=O)c1ccoc1)Nc1cccc(Oc2ccccn2)c1 c1ccc(nc1)[*:1] O=C(CNC(=O)c1ccoc1)Nc1cccc(c1)O[*:1]
O=C(CNC(=O)c1ccoc1)Nc1cccc(Oc2ccccn2)c1 c1ccc(nc1)O[*:1] O=C(CNC(=O)c1ccoc1)Nc1cccc(c1)[*:1]
O=C(CNC(=O)c1ccoc1)Nc1cccc(Oc2ccccn2)c1 c1cc(co1)[*:1] O=C(CNC(=O)[*:1])Nc1cccc(c1)Oc1ccccn1
O=C(CNC(=O)c1ccoc1)Nc1cccc(Oc2ccccn2)c1 O=C(N[*:1])c1ccoc1 O=C(C[*:1])Nc1cccc(c1)Oc1ccccn1
Cc1nnc2n1CCC[C@@H]2[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] Cc1nnc2[C@H](CCCn12)[NH2+]Cc1ccc(o1)[*:1]
COC1(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)CCOCC1 FC(F)[*:1] COC1(CCOCC1)C[NH2+][C@H](C)c1cccc(c1)O[*:1]
COC1(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)CCOCC1 FC(F)O[*:1] COC1(CCOCC1)C[NH2+][C@H](C)c1cccc(c1)[*:1]
COC(=O)CCN(C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 COC(=O)C[*:1] CN(C[*:1])C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1
COC(=O)CCN(C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 COC(=O)CC[*:1] CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1)[*:1]
COC(=O)CCN(C)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 COC(=O)[*:1] CN(CC[*:1])C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1
Cc1nc(-c2ccc(-c3noc(-c4ccccc4C)n3)cc2)cs1 Cc1ccccc1[*:1] Cc1nc(cs1)-c1ccc(cc1)-c1noc(n1)[*:1]
Cc1nc(-c2ccc(-c3noc(-c4ccccc4C)n3)cc2)cs1 Cc1nc(cs1)[*:1] Cc1ccccc1-c1nc(no1)-c1ccc(cc1)[*:1]
CCCCn1nc2n(Cc3ccccc3)c(=O)c3sccc3n2c1=O CCC[*:1] O=c1c2sccc2n2c(=O)n(C[*:1])nc2n1Cc1ccccc1
CCCCn1nc2n(Cc3ccccc3)c(=O)c3sccc3n2c1=O CCCC[*:1] O=c1c2sccc2n2c(=O)n(nc2n1Cc1ccccc1)[*:1]
CCCCn1nc2n(Cc3ccccc3)c(=O)c3sccc3n2c1=O c1ccc(cc1)[*:1] CCCCn1nc2n(C[*:1])c(=O)c3sccc3n2c1=O
CCCCn1nc2n(Cc3ccccc3)c(=O)c3sccc3n2c1=O c1ccc(cc1)C[*:1] CCCCn1nc2n(c(=O)c3sccc3n2c1=O)[*:1]
O=C(c1cc[nH]n1)N1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCCCC1)[C@@H]2O c1cc(n[nH]1)[*:1] O=C(N1CCC2(CC1)c1ccccc1[C@H]([C@@H]2O)[NH+]1CCCCC1)[*:1]
COc1ccc(F)cc1NC(=O)NCCCCn1cnnc1 c1nncn1[*:1] COc1ccc(F)cc1NC(=O)NCCCC[*:1]
COc1ccc(F)cc1NC(=O)NCCCCn1cnnc1 c1nncn1CC[*:1] COc1ccc(F)cc1NC(=O)NCC[*:1]
COc1ccc(F)cc1NC(=O)NCCCCn1cnnc1 c1nncn1C[*:1] COc1ccc(F)cc1NC(=O)NCCC[*:1]
O=C1C[C@H](c2ccccc2)N(C(=O)c2ccc3c(c2)OCC(=O)N3)CCN1 c1ccc(cc1)[*:1] O=C1C[C@H](N(CCN1)C(=O)c1ccc2NC(=O)COc2c1)[*:1]
CNc1nc(CNC(=O)Nc2ccc(F)c(C(N)=O)c2)cs1 NC(=O)[*:1] CNc1nc(cs1)CNC(=O)Nc1ccc(F)c(c1)[*:1]
CNc1nc(CNC(=O)Nc2ccc(F)c(C(N)=O)c2)cs1 CNc1nc(cs1)[*:1] NC(=O)c1cc(ccc1F)NC(=O)NC[*:1]
C[C@@H](C/C([O-])=N/S(=O)(=O)Cc1ccccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C/C([O-])=N/S(=O)(=O)Cc1ccccc1Cl)[*:1]
C[C@@H](C/C([O-])=N/S(=O)(=O)Cc1ccccc1Cl)c1ccccc1 Clc1ccccc1[*:1] C[C@@H](C/C([O-])=N/S(=O)(=O)C[*:1])c1ccccc1
COc1cccc([C@H](NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c2nccn2C)c1 COc1cccc(c1)[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)N[C@H](c1nccn1C)[*:1]
COc1cccc([C@H](NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@H](NC(=O)c1cc2C[C@H](C)CCc2s1)[*:1]
C[C@H]1C[C@@H]([NH3+])CN(Cc2nc(N)nc(N(C)C)n2)C1 CN(C)[*:1] C[C@H]1C[C@@H]([NH3+])CN(Cc2nc(N)nc(n2)[*:1])C1
CSc1ccccc1-c1noc(N)c1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CSc1ccccc1-c1noc(N)c1[*:1]
Cc1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(C)n1 c1cncc(c1)C[*:1] Cc1cc(C(=O)N(CC2CC[NH+](CC2)C2CCCC2)[*:1])n(C)n1
Cc1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(C)n1 c1cncc(c1)[*:1] Cc1cc(C(=O)N(CC2CC[NH+](CC2)C2CCCC2)C[*:1])n(C)n1
Cc1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N(Cc1cccnc1)CC1CC[NH+](CC1)C1CCCC1)[*:1]
COC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2OC)nc1 COC(=O)[*:1] CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(cn1)[*:1]
N#Cc1ccc(-c2ccc(OCc3cc(=O)n4ccsc4n3)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=c1cc(COc2ccc(cc2)[*:1])nc2sccn12
CC[C@H](NC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)N1C[C@@H](OC[C@@H]1C)c1ccccc1C)[*:1]
CC[C@H](NC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C)c1nc(C)cs1 Cc1ccccc1[*:1] CC[C@H](NC(=O)N1C[C@H](OC[C@@H]1C)[*:1])c1nc(C)cs1
CCC[C@@H](C)C(=O)Nc1cc(C(=O)NC)ccc1Cl CCC[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)[C@H](C)[*:1]
CCC[C@@H](C)C(=O)Nc1cc(C(=O)NC)ccc1Cl CCC[C@@H](C)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
CCC[C@@H](C)C(=O)Nc1cc(C(=O)NC)ccc1Cl CNC(=O)[*:1] CCC[C@@H](C)C(=O)Nc1cc(ccc1Cl)[*:1]
CCc1nc(N2CCN(C[C@H](O)c3cccs3)CC2)cc(C)[nH+]1 O[C@H](c1cccs1)[*:1] CCc1nc(cc(C)[nH+]1)N1CCN(CC1)C[*:1]
CCc1nc(N2CCN(C[C@H](O)c3cccs3)CC2)cc(C)[nH+]1 c1csc(c1)[*:1] CCc1nc(cc(C)[nH+]1)N1CCN(CC1)C[C@H](O)[*:1]
Cc1ccc(CC(=O)N(Cc2ccco2)Cc2ccco2)cc1O c1coc(c1)[*:1] Cc1ccc(cc1O)CC(=O)N(Cc1ccco1)C[*:1]
Cc1ccc(CC(=O)N(Cc2ccco2)Cc2ccco2)cc1O c1coc(c1)C[*:1] Cc1ccc(cc1O)CC(=O)N(Cc1ccco1)[*:1]
Cc1ccc(CC(=O)N(Cc2ccco2)Cc2ccco2)cc1O Cc1ccc(cc1O)[*:1] O=C(C[*:1])N(Cc1ccco1)Cc1ccco1
COc1ccc(C)cc1NC(=O)[C@H](C)S(=O)(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COc1ccc(C)cc1NC(=O)[C@H](C)S(=O)(=O)[*:1]
COc1ccc([C@H](C)NC(=O)c2cnc(C)cn2)cc1OC Cc1cnc(cn1)[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)[*:1]
CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2Cc3ccccc3O2)n(C)c1 CNS(=O)(=O)[*:1] Cn1cc(cc1C(=O)NC[C@@H]1Cc2ccccc2O1)[*:1]
CC(=O)N[C@H](C)C(=O)N(C(C)C)C1CC1 CC(=O)N[*:1] CC(C)N(C(=O)[C@@H](C)[*:1])C1CC1
CC(=O)N[C@H](C)C(=O)N(C(C)C)C1CC1 C1CC1[*:1] CC(=O)N[C@H](C)C(=O)N(C(C)C)[*:1]
CC(=O)N[C@H](C)C(=O)N(C(C)C)C1CC1 CC(C)[*:1] CC(=O)N[C@H](C)C(=O)N(C1CC1)[*:1]
CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)N[*:1]
CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)nc1 CC[C@@H](C)[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1ccc(Cl)nc1)[*:1]
COc1ccc2c(Cn3ccnc3)cc(=O)oc2c1 c1cn(cn1)C[*:1] COc1ccc2c(cc(=O)oc2c1)[*:1]
COc1ccc2c(Cn3ccnc3)cc(=O)oc2c1 c1cn(cn1)[*:1] COc1ccc2c(cc(=O)oc2c1)C[*:1]
CCCNc1nc(-c2ncc[nH]2)nc(CC)c1Br CCC[*:1] CCc1nc(nc(N[*:1])c1Br)-c1ncc[nH]1
CCCNc1nc(-c2ncc[nH]2)nc(CC)c1Br c1c[nH]c(n1)[*:1] CCCNc1nc(nc(CC)c1Br)[*:1]
CCCNc1nc(-c2ncc[nH]2)nc(CC)c1Br CCCN[*:1] CCc1nc(nc(c1Br)[*:1])-c1ncc[nH]1
CC[C@@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1ccc(OC)cc1 Cc1cccc(c1)[*:1] CC[C@@H]([NH2+]C[C@@H](O)[*:1])c1ccc(cc1)OC
C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 Brc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)C(=O)[C@H]1CCCO1
C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 Brc1ccc(cc1)O[*:1] C[C@H](C(=O)N1CCN(CC1)C(=O)[C@H]1CCCO1)[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1cc(-c2nnc(NC(=O)CN3C(=O)CCC3=O)o2)nn1C Cc1cc(nn1C)[*:1] O=C(CN1C(=O)CCC1=O)Nc1nnc(o1)[*:1]
Cc1cc(-c2nnc(NC(=O)CN3C(=O)CCC3=O)o2)nn1C O=C1CCC(=O)N1[*:1] Cc1cc(nn1C)-c1nnc(NC(=O)C[*:1])o1
COc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(NCC(=O)N1CCC(CC1)C[*:1])c1ccccc1Cl
COc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC(=O)N1CCC(CC1)CC[*:1])c1ccccc1Cl
COc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)CCC1CCN(CC1)C(=O)CNC(=O)[*:1]
CO[C@](C(=O)N(C)Cc1cnccn1)(c1ccccc1)C(F)(F)F c1cnc(cn1)[*:1] CO[C@](C(=O)N(C)C[*:1])(c1ccccc1)C(F)(F)F
CO[C@](C(=O)N(C)Cc1cnccn1)(c1ccccc1)C(F)(F)F c1cnc(cn1)C[*:1] CO[C@](C(=O)N(C)[*:1])(c1ccccc1)C(F)(F)F
CO[C@](C(=O)N(C)Cc1cnccn1)(c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] CO[C@](C(=O)N(C)Cc1cnccn1)(C(F)(F)F)[*:1]
CO[C@](C(=O)N(C)Cc1cnccn1)(c1ccccc1)C(F)(F)F FC(F)(F)[*:1] CO[C@](C(=O)N(C)Cc1cnccn1)(c1ccccc1)[*:1]
COc1ccc(-c2ccccc2CC2(C(=O)N3CCCC3)CCOCC2)cc1 O=C(N1CCCC1)[*:1] COc1ccc(cc1)-c1ccccc1CC1(CCOCC1)[*:1]
COc1ccc(-c2ccccc2CC2(C(=O)N3CCCC3)CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N1CCCC1)C1(CCOCC1)Cc1ccccc1[*:1]
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCNCc1nc2c(s1)CCC2 C1Cc2nc(sc2C1)[*:1] O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCNC[*:1]
O=C(Oc1cccc(Oc2ncccn2)c1)c1scnc1C1CC1 c1cnc(nc1)[*:1] O=C(Oc1cccc(c1)O[*:1])c1scnc1C1CC1
O=C(Oc1cccc(Oc2ncccn2)c1)c1scnc1C1CC1 c1cnc(nc1)O[*:1] O=C(Oc1cccc(c1)[*:1])c1scnc1C1CC1
O=C(Oc1cccc(Oc2ncccn2)c1)c1scnc1C1CC1 C1CC1[*:1] O=C(Oc1cccc(c1)Oc1ncccn1)c1scnc1[*:1]
O=C(Oc1cccc(Oc2ncccn2)c1)c1scnc1C1CC1 c1nc(c(s1)[*:1])C1CC1 O=C(Oc1cccc(c1)Oc1ncccn1)[*:1]
COc1ccc([C@@H]2C[C@H](NC(C)=O)C[C@H](c3ccc(Cl)cc3)O2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1C[C@@H](C[C@H](O1)[*:1])NC(C)=O
COc1ccc([C@@H]2C[C@H](NC(C)=O)C[C@H](c3ccc(Cl)cc3)O2)cc1OC CC(=O)N[*:1] COc1ccc(cc1OC)[C@@H]1C[C@H](C[C@@H](O1)c1ccc(Cl)cc1)[*:1]
O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CC=C(c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CC=C(CC1)c1ccccc1
O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)C=C[*:1])N1CC=C(CC1)c1ccccc1
O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1)N1CC=C(CC1)[*:1]
O=C(NCCn1ncc2c(NCc3ccc(F)cc3)ncnc21)c1cc(=O)c2ccccc2o1 Fc1ccc(cc1)C[*:1] O=C(NCCn1ncc2c(ncnc21)N[*:1])c1cc(=O)c2ccccc2o1
O=C(NCCn1ncc2c(NCc3ccc(F)cc3)ncnc21)c1cc(=O)c2ccccc2o1 O=c1cc(oc2ccccc12)[*:1] O=C(NCCn1ncc2c(ncnc21)NCc1ccc(F)cc1)[*:1]
O=C(NCCn1ncc2c(NCc3ccc(F)cc3)ncnc21)c1cc(=O)c2ccccc2o1 Fc1ccc(cc1)CN[*:1] O=C(NCCn1ncc2c(ncnc21)[*:1])c1cc(=O)c2ccccc2o1
O=C(NCCn1ncc2c(NCc3ccc(F)cc3)ncnc21)c1cc(=O)c2ccccc2o1 Fc1ccc(cc1)[*:1] O=C(NCCn1ncc2c(ncnc21)NC[*:1])c1cc(=O)c2ccccc2o1
O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])C1CC1
O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccncc1 C1CC1[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccncc1
O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccncc1 O=C(N[*:1])C1CC1 O=C(Nc1ccc(cc1)[*:1])c1ccncc1
Cc1csc(NC(=O)CS(=O)(=O)c2ccc(Br)c3ccccc23)n1 Cc1csc(n1)[*:1] O=C(CS(=O)(=O)c1ccc(Br)c2ccccc12)N[*:1]
C#CCOC[C@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 C#CCO[*:1] O=C(c1cc(n[nH]1)-c1cccs1)N1CCC[C@@H](C1)C[*:1]
C#CCOC[C@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 c1csc(c1)[*:1] C#CCOC[C@H]1CCCN(C1)C(=O)c1cc(n[nH]1)[*:1]
C#CCOC[C@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 C#CC[*:1] O=C(c1cc(n[nH]1)-c1cccs1)N1CCC[C@H](CO[*:1])C1
C#CCOC[C@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 C#CCOC[*:1] O=C(c1cc(n[nH]1)-c1cccs1)N1CCC[C@@H](C1)[*:1]
CCOC(OCC)[C@H](O)Cc1ccc(Cl)cc1Cl CCO[*:1] CCOC([C@H](O)Cc1ccc(Cl)cc1Cl)[*:1]
NC(=S)[C@H]1CN(CCOc2ccccc2)CCO1 c1ccc(cc1)[*:1] NC(=S)[C@H]1CN(CCO1)CCO[*:1]
NC(=S)[C@H]1CN(CCOc2ccccc2)CCO1 NC(=S)[*:1] c1ccc(cc1)OCCN1CCO[C@H](C1)[*:1]
CCNC(=O)CN1CCN(C(=O)Nc2ccccc2OCC2CC2)CC1 CCNC(=O)C[*:1] O=C(Nc1ccccc1OCC1CC1)N1CCN(CC1)[*:1]
CCNC(=O)CN1CCN(C(=O)Nc2ccccc2OCC2CC2)CC1 C1CC1CO[*:1] CCNC(=O)CN1CCN(CC1)C(=O)Nc1ccccc1[*:1]
CCNC(=O)CN1CCN(C(=O)Nc2ccccc2OCC2CC2)CC1 C1CC1C[*:1] CCNC(=O)CN1CCN(CC1)C(=O)Nc1ccccc1O[*:1]
CCNC(=O)CN1CCN(C(=O)Nc2ccccc2OCC2CC2)CC1 C1CC1[*:1] CCNC(=O)CN1CCN(CC1)C(=O)Nc1ccccc1OC[*:1]
CCNC(=O)CN1CCN(C(=O)Nc2ccccc2OCC2CC2)CC1 CCNC(=O)[*:1] O=C(Nc1ccccc1OCC1CC1)N1CCN(CC1)C[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H]1C[C@@H]1[*:1])-c1ncco1
N#Cc1ccsc1NC(=O)CN1CCN(C(=O)c2ccoc2)CC1 N#Cc1ccsc1[*:1] O=C(CN1CCN(CC1)C(=O)c1ccoc1)N[*:1]
N#Cc1ccsc1NC(=O)CN1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] N#Cc1ccsc1NC(=O)CN1CCN(CC1)C(=O)[*:1]
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cncn3)cc2)CC1 CCC[*:1] O=C(Nc1ccc(cc1)-n1cncn1)C(=O)NC1CC[NH+](CC1)C[*:1]
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cncn3)cc2)CC1 c1ncn(n1)[*:1] CCCC[NH+]1CCC(CC1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cncn3)cc2)CC1 CCCC[*:1] O=C(Nc1ccc(cc1)-n1cncn1)C(=O)NC1CC[NH+](CC1)[*:1]
Cc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cn1 c1cc(ccn1)[*:1] Cc1ccc(cn1)C(=O)N1CCC[C@H]1[*:1]
Cc1ccc(CN2C[C@H](C(=O)N(C)Cc3ccccc3Br)CC2=O)cc1 Cc1ccc(cc1)C[*:1] CN(Cc1ccccc1Br)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2C[C@H](C(=O)N(C)Cc3ccccc3Br)CC2=O)cc1 Cc1ccc(cc1)[*:1] CN(Cc1ccccc1Br)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(CN2C[C@H](C(=O)N(C)Cc3ccccc3Br)CC2=O)cc1 Brc1ccccc1C[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)N(C)[*:1]
Cc1ccc(CN2C[C@H](C(=O)N(C)Cc3ccccc3Br)CC2=O)cc1 Brc1ccccc1[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)N(C)C[*:1]
Cc1nc(C[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)c(C)s1 Fc1ccc(cc1)[*:1] Cc1nc(C[NH2+][C@@H](C)c2nnn(c2C)[*:1])c(C)s1
Cc1nc(C[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)c(C)s1 Cc1nc(c(C)s1)[*:1] Cc1c(nnn1-c1ccc(F)cc1)[C@H](C)[NH2+]C[*:1]
O=C([O-])c1cc(SCC(=O)N2CCOCC2)ccn1 O=C([O-])[*:1] O=C(CSc1ccnc(c1)[*:1])N1CCOCC1
C=CC(=O)NCCCc1nc2ccccc2n1CC(=O)N1CCCC[C@H]1C C=CC(=O)NCCC[*:1] C[C@@H]1CCCCN1C(=O)Cn1c(nc2ccccc21)[*:1]
C=CC(=O)NCCCc1nc2ccccc2n1CC(=O)N1CCCC[C@H]1C C=CC(=O)N[*:1] C[C@@H]1CCCCN1C(=O)Cn1c(CCC[*:1])nc2ccccc21
C=CC(=O)NCCCc1nc2ccccc2n1CC(=O)N1CCCC[C@H]1C C=CC(=O)NC[*:1] C[C@@H]1CCCCN1C(=O)Cn1c(CC[*:1])nc2ccccc21
C=CC(=O)NCCCc1nc2ccccc2n1CC(=O)N1CCCC[C@H]1C C=CC(=O)NCC[*:1] C[C@@H]1CCCCN1C(=O)Cn1c(C[*:1])nc2ccccc21
c1ccc(N2CCN(Cc3cccnc3)CC2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)N1CCN(CC1)C[*:1]
c1ccc(N2CCN(Cc3cccnc3)CC2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)CN1CCN(CC1)[*:1]
Cc1cc2c(cc1[N+](=O)[O-])OCO2 O=[N+]([O-])[*:1] Cc1cc2OCOc2cc1[*:1]
O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(Cn1c(=O)n(c(=O)c2sccc21)[*:1])Nc1ccc2OCCOc2c1
O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N[*:1]
COc1ccc(OC)c2sc(NC(=O)c3ccccc3Br)nc12 Brc1ccccc1[*:1] COc1ccc(OC)c2sc(nc12)NC(=O)[*:1]
COC(=O)CNC(=O)[C@@H](C)N1CCN(Cc2cccnc2)CC1 COC(=O)[*:1] C[C@H](C(=O)NC[*:1])N1CCN(CC1)Cc1cccnc1
COC(=O)CNC(=O)[C@@H](C)N1CCN(Cc2cccnc2)CC1 c1cncc(c1)C[*:1] COC(=O)CNC(=O)[C@@H](C)N1CCN(CC1)[*:1]
COC(=O)CNC(=O)[C@@H](C)N1CCN(Cc2cccnc2)CC1 COC(=O)C[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)Cc1cccnc1
COC(=O)CNC(=O)[C@@H](C)N1CCN(Cc2cccnc2)CC1 c1cncc(c1)[*:1] COC(=O)CNC(=O)[C@@H](C)N1CCN(CC1)C[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2cccc(CCC(F)(F)F)c2)C1 FC(F)(F)CC[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1cccc(c1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2cccc(CCC(F)(F)F)c2)C1 FC(F)(F)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1cccc(c1)CC[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2cccc(CCC(F)(F)F)c2)C1 FC(F)(F)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1cccc(c1)C[*:1]
CCc1nn(C)cc1CNC(=O)NCCc1c(C)cc(C)cc1C CCc1nn(C)cc1[*:1] Cc1cc(C)c(CCNC(=O)NC[*:1])c(C)c1
COc1ccccc1C(=O)O[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 Cc1cc(no1)[*:1] COc1ccccc1C(=O)O[C@@H](C(=O)N[*:1])c1ccccc1
COc1ccccc1C(=O)O[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1C(=O)O[C@@H](C(=O)Nc1cc(C)on1)[*:1]
COc1ccccc1C(=O)O[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 Cc1cc(no1)NC(=O)[*:1] COc1ccccc1C(=O)O[C@@H](c1ccccc1)[*:1]
COc1ccccc1C(=O)O[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 COc1ccccc1[*:1] Cc1cc(no1)NC(=O)[C@H](OC(=O)[*:1])c1ccccc1
Cc1ccc(-c2cc(C(=O)N/N=C\C=C\c3ccccc3)[nH]n2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)-c1cc([nH]n1)C(=O)N/N=C\C=C[*:1]
Cc1ccc(-c2cc(C(=O)N/N=C\C=C\c3ccccc3)[nH]n2)s1 Cc1ccc(s1)[*:1] O=C(N/N=C\C=C\c1ccccc1)c1cc(n[nH]1)[*:1]
Cc1ccc(-c2cc(C(=O)N/N=C\C=C\c3ccccc3)[nH]n2)s1 C(=C[*:1])c1ccccc1 Cc1ccc(s1)-c1cc([nH]n1)C(=O)NN=C[*:1]
Cc1ccc(N2C(=O)N=C([O-])[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@H]43)C2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H]1CN2c3ccc(cc3C[C@]3(C(=O)N(C(=O)N=C3[O-])[*:1])[C@@H]2[C@@H](C)O1)[N+](=O)[O-]
Cc1ccc(N2C(=O)N=C([O-])[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@H]43)C2=O)c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1)N1C(=O)N=C([O-])[C@@]2(Cc3cc(ccc3N3C[C@@H](C)O[C@H](C)[C@H]32)[*:1])C1=O
C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(C(C)(C)C)cc1 N#CC1(CCCC1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)C(C)(C)C
C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(cc1)[*:1]
Cc1cc(C(=O)NNC(=O)c2cn(C)nc2-c2ccccc2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cn1cc(C(=O)NNC(=O)[*:1])c(n1)-c1ccccc1
Cc1cc(C(=O)NNC(=O)c2cn(C)nc2-c2ccccc2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NNC(=O)c2cn(C)nc2[*:1])c(C)o1
CCn1/c(=N/C(=O)CC(F)(F)F)[nH]c2ccc(Br)cc21 FC(F)(F)[*:1] CCn1/c(=N/C(=O)C[*:1])[nH]c2ccc(Br)cc21
CCn1/c(=N/C(=O)CC(F)(F)F)[nH]c2ccc(Br)cc21 FC(F)(F)C[*:1] CCn1/c(=N/C(=O)[*:1])[nH]c2ccc(Br)cc21
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)C3CCOCC3)s2)cc1 COc1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)NC(=O)C1CCOCC1)[*:1]
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)C3CCOCC3)s2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)-c1nc(C)c(s1)[C@H](C)NC(=O)[*:1]
Cc1ccc(-c2nn(CN(C)[C@H]3CCS(=O)(=O)C3)c(=S)n2-c2ccccc2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)c1ccccc1-n1c(nn(CN(C)[C@H]2CCS(=O)(=O)C2)c1=S)[*:1]
Cc1ccc(-c2nn(CN(C)[C@H]3CCS(=O)(=O)C3)c(=S)n2-c2ccccc2C(C)C)cc1 CC(C)c1ccccc1[*:1] Cc1ccc(cc1)-c1nn(CN(C)[C@H]2CCS(=O)(=O)C2)c(=S)n1[*:1]
Cc1ccc(-c2nn(CN(C)[C@H]3CCS(=O)(=O)C3)c(=S)n2-c2ccccc2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1nn(CN(C)[C@H]2CCS(=O)(=O)C2)c(=S)n1-c1ccccc1[*:1]
O=C(Cc1c[nH]c2ccccc12)Nc1c(F)cccc1N1CCCC1 C1CCN(C1)[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1c(F)cccc1[*:1]
COc1ccccc1CCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 COc1ccccc1C[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc2c(c1)CCN2C(=O)C1CC1
COc1ccccc1CCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 COc1ccccc1[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1ccc2c(c1)CCN2C(=O)C1CC1
COc1ccccc1CCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 COc1ccccc1CC[*:1] O=C(C1CC1)N1CCc2cc(ccc21)-c1csc(n1)NC(=O)[*:1]
COc1ccccc1CCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 C1CC1[*:1] COc1ccccc1CCC(=O)Nc1nc(cs1)-c1ccc2c(c1)CCN2C(=O)[*:1]
C[C@@H]1C[C@@H]1c1noc(CCCO)n1 OCCC[*:1] C[C@@H]1C[C@@H]1c1noc(n1)[*:1]
C[C@@H]1C[C@@H]1c1noc(CCCO)n1 C[C@@H]1C[C@H]1[*:1] OCCCc1nc(no1)[*:1]
C[C@@H]1C[C@@H]1c1noc(CCCO)n1 OCC[*:1] C[C@@H]1C[C@@H]1c1noc(C[*:1])n1
N#C[C@@H](c1ccccc1)c1cnn(-c2ccccc2)c(=O)c1Cl c1ccc(cc1)[*:1] N#C[C@@H](c1ccccc1)c1cnn(c(=O)c1Cl)[*:1]
N#C[C@@H](c1ccccc1)c1cnn(-c2ccccc2)c(=O)c1Cl c1ccc(cc1)[*:1] N#C[C@@H](c1cnn(-c2ccccc2)c(=O)c1Cl)[*:1]
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccc(F)cc1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1NC(=O)/C=C/c1ccc(F)cc1)[*:1]
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)C=C[*:1])S(=O)(=O)N1CCOCC1
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccc(F)cc1 Fc1ccc(C=C[*:1])cc1 COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCOCC1
O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)C(=O)N(C[*:1])C1=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(cc1)[*:1]
O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)C(=O)N(C1=O)[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Cc1ccc(CN2N=CC3=N[C@H](c4ccc5c(c4)OCCO5)N[C@@H]32)o1 Cc1ccc(C[*:1])o1 C1=NN([C@H]2N[C@H](N=C12)c1ccc2OCCOc2c1)[*:1]
Cc1ccc(CN2N=CC3=N[C@H](c4ccc5c(c4)OCCO5)N[C@@H]32)o1 Cc1ccc(o1)[*:1] C1=NN(C[*:1])[C@H]2N[C@H](N=C12)c1ccc2OCCOc2c1
Cc1noc(C)c1CC(=O)N1CCN(c2ccccc2Cl)CC1 Cc1noc(C)c1[*:1] O=C(C[*:1])N1CCN(CC1)c1ccccc1Cl
Cc1noc(C)c1CC(=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1noc(C)c1CC(=O)N1CCN(CC1)[*:1]
CCS(=O)(=O)CCC[C@H](CBr)c1cccc(Cl)c1 CCS(=O)(=O)C[*:1] Clc1cccc(c1)[C@@H](CBr)CC[*:1]
CCS(=O)(=O)CCC[C@H](CBr)c1cccc(Cl)c1 CCS(=O)(=O)[*:1] Clc1cccc(c1)[C@@H](CBr)CCC[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H](CO)C1 C[C@H](O)[*:1] CC(C)(CNC(=O)N1CCC[C@@H](CO)C1)C[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H](CO)C1 C[C@H](O)C[*:1] CC(C)(CNC(=O)N1CCC[C@@H](CO)C1)[*:1]
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)S/C1=N\c1ccc(OC)cc1 Fc1ccc(cc1Cl)[*:1] CCN1C(=O)C[C@H](S/C1=N\c1ccc(cc1)OC)C(=O)N[*:1]
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)S/C1=N\c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1ccc(F)c(Cl)c1
O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(cc1)OC[*:1]
O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(cc1)O[*:1]
O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(cc1)[*:1]
C=CCn1c(C)nnc1S[C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C CC(C)[*:1] C=CCn1c(C)nnc1S[C@H](C(=O)Nc1cc(C)cc(C)c1)[*:1]
C=CCn1c(C)nnc1S[C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C Cc1cc(C)cc(c1)[*:1] C=CCn1c(C)nnc1S[C@H](C(=O)N[*:1])C(C)C
C=CCn1c(C)nnc1S[C@H](C(=O)Nc1cc(C)cc(C)c1)C(C)C C=CC[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H](Sc1nnc(C)n1[*:1])C(C)C
Cc1noc(C)c1C(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 Cc1noc(C)c1C(=O)N[*:1] c1ccc(cc1)-c1[nH]c2ccccc2c1[C@@H](C[*:1])c1ccccc1
Cc1noc(C)c1C(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 c1ccc(cc1)[*:1] Cc1noc(C)c1C(=O)NC[C@@H](c1c([nH]c2ccccc12)-c1ccccc1)[*:1]
Cc1noc(C)c1C(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 c1ccc(cc1)[*:1] Cc1noc(C)c1C(=O)NC[C@@H](c1ccccc1)c1c([nH]c2ccccc12)[*:1]
Cc1noc(C)c1C(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 Cc1noc(C)c1[*:1] O=C(NC[C@@H](c1ccccc1)c1c([nH]c2ccccc12)-c1ccccc1)[*:1]
C[NH+]1CCN(C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)c2ccccc2)CC1 c1cncc(c1)[*:1] C[NH+]1CCN(CC1)C[C@@H]([NH2+]Cc1c[nH]nc1[*:1])c1ccccc1
C[NH+]1CCN(C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C[C@@H]([NH2+]Cc1c[nH]nc1-c1cccnc1)[*:1]
Cc1cc(C)cc(NC(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCc1cc(-c2ccccn2)n(n1)C1CCCC1)N[*:1]
Cc1cc(C)cc(NC(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)c1 c1ccc(nc1)[*:1] Cc1cc(C)cc(c1)NC(=O)NCc1cc(n(n1)C1CCCC1)[*:1]
Cc1cc(C)cc(NC(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)c1 C1CCC(C1)[*:1] Cc1cc(C)cc(c1)NC(=O)NCc1cc(-c2ccccn2)n(n1)[*:1]
C=C(C)C[C@@H]([NH3+])Cc1ccccc1OC C=C(C)C[*:1] COc1ccccc1C[C@H]([NH3+])[*:1]
C=C(C)C[C@@H]([NH3+])Cc1ccccc1OC C=C(C)[*:1] COc1ccccc1C[C@H]([NH3+])C[*:1]
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1F c1ccc2CN(CCc2c1)[*:1] O=C(NC[C@@H](c1cccnc1)[*:1])C(=O)Nc1ccc(F)cc1F
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)N[*:1]
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1F c1cncc(c1)[*:1] O=C(NC[C@@H](N1CCc2ccccc2C1)[*:1])C(=O)Nc1ccc(F)cc1F
O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1Cl c1csc(c1)[*:1] O=C(CN1C(=O)C(=O)N(C[*:1])C1=O)Nc1ccc(F)cc1Cl
O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)N[*:1]
O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1ccc(F)cc1Cl c1csc(c1)C[*:1] O=C(CN1C(=O)C(=O)N(C1=O)[*:1])Nc1ccc(F)cc1Cl
Cc1noc(C2CC[NH+](C3CCCCCCC3)CC2)n1 Cc1noc(n1)[*:1] C1CCCC(CCC1)[NH+]1CCC(CC1)[*:1]
CCCc1nn(C)c2c1nc(N)n2C(CC)CC CCC(CC)[*:1] CCCc1nn(C)c2c1nc(N)n2[*:1]
CCCc1nn(C)c2c1nc(N)n2C(CC)CC CCC[*:1] CCC(CC)n1c(N)nc2c(nn(C)c21)[*:1]
C[C@@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)[C@@H]1CN(CCO1)C[*:1]
C[C@@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C[C@@H]1O c1ccc(cc1)C[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)[C@@H]1CN(CCO1)[*:1]
CCOc1ccccc1C(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCOc1ccccc1C(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
CCOc1ccccc1C(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 CCO[*:1] O=C(c1ccccc1[*:1])N1CCC(CC1)NS(=O)(=O)c1ccc(Cl)cc1
CCOc1ccccc1C(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 CCOc1ccccc1[*:1] O=C(N1CCC(CC1)NS(=O)(=O)c1ccc(Cl)cc1)[*:1]
COc1ccc(-n2/c(=N/C(=O)c3oc(C)nc3C)[nH]c3ccccc32)cc1 COc1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)/N=c1\[nH]c2ccccc2n1[*:1]
O=C(Nc1ccc2c(c1)CCCN2)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2NCCCc2c1)[*:1]
NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 FC(F)(F)C[*:1] NS(=O)(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)O[*:1]
NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 NS(=O)(=O)[*:1] O=S(=O)(Nc1ccc(cc1)OCC(F)(F)F)c1cccc(c1)[*:1]
NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 FC(F)(F)CO[*:1] NS(=O)(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 FC(F)(F)[*:1] NS(=O)(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)OC[*:1]
COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1 Clc1ccc(nc1)[*:1] COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)[*:1]
CC(C)c1ccc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(Br)c1 CC(C)[*:1] O=C(COc1ccc(cc1Br)[*:1])N1CCN(CC1)c1cccc[nH+]1
C[C@@H](Cc1ccccc1F)NC(=O)C(=O)Nc1ccc(F)cc1F Fc1ccccc1C[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1F)[*:1]
C[C@@H](Cc1ccccc1F)NC(=O)C(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N[*:1]
C[C@@H](Cc1ccccc1F)NC(=O)C(=O)Nc1ccc(F)cc1F Fc1ccccc1[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc(F)cc1F
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(Oc3cnccn3)c2)o1 c1cnc(cn1)O[*:1] Cc1ccc(o1)[C@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(Oc3cnccn3)c2)o1 c1cnc(cn1)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)C(=O)Nc1cccc(c1)O[*:1]
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(Oc3cnccn3)c2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)Oc1cnccn1)[*:1]
CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] CN(C(=O)[C@H]1CCCN(C1)S(=O)(=O)c1cccc(c1)[*:1])[C@@H]1CCS(=O)(=O)C1
CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCS(=O)(=O)C1 O=[N+]([O-])c1cccc(c1)[*:1] CN(C(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
CCS(=O)(=O)CCOS(=O)(=O)c1ccc(C)cc1 CCS(=O)(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)OCC[*:1]
CCS(=O)(=O)CCOS(=O)(=O)c1ccc(C)cc1 CCS(=O)(=O)C[*:1] Cc1ccc(cc1)S(=O)(=O)OC[*:1]
COc1ccc2c(CSc3nnc(-c4ccc(OC(F)F)cc4)o3)cc(=O)oc2c1 FC(F)Oc1ccc(cc1)[*:1] COc1ccc2c(cc(=O)oc2c1)CSc1nnc(o1)[*:1]
COc1ccc2c(CSc3nnc(-c4ccc(OC(F)F)cc4)o3)cc(=O)oc2c1 FC(F)O[*:1] COc1ccc2c(cc(=O)oc2c1)CSc1nnc(o1)-c1ccc(cc1)[*:1]
COc1ccc2c(CSc3nnc(-c4ccc(OC(F)F)cc4)o3)cc(=O)oc2c1 FC(F)[*:1] COc1ccc2c(cc(=O)oc2c1)CSc1nnc(o1)-c1ccc(cc1)O[*:1]
C=C(C(=O)OCC(F)(F)F)C(F)(F)F FC(F)(F)[*:1] C=C(C(=O)OC[*:1])C(F)(F)F
C=C(C(=O)OCC(F)(F)F)C(F)(F)F FC(F)(F)[*:1] C=C(C(=O)OCC(F)(F)F)[*:1]
COc1ccccc1CNC(=O)C[NH2+]C(C)(C)C CC(C)(C)[*:1] COc1ccccc1CNC(=O)C[NH2+][*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCBr BrCCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCBr BrCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[*:1]
NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(F)c1 NC(=O)[*:1] Fc1cccc(c1)/N=c1\oc2c(Cl)cc(Cl)cc2cc1[*:1]
NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(F)c1 Fc1cccc(c1)[*:1] NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=N[*:1]
C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1-c1ccccc1 C=CC[*:1] C[C@H](Sc1nnc(-c2ccccc2)n1[*:1])C(=O)NC1CCCCC1
C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])S[C@@H](C)C(=O)NC1CCCCC1
C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1-c1ccccc1 C1CCC(CC1)[*:1] C=CCn1c(nnc1-c1ccccc1)S[C@@H](C)C(=O)N[*:1]
Cc1cc(C)c(C(=O)NC[C@H](C)N2CCOC[C@@H]2C)c(=O)[nH]1 C[C@H]1COCCN1[*:1] Cc1cc(C)c(C(=O)NC[C@H](C)[*:1])c(=O)[nH]1
CN(C(=O)c1cccc(-n2cnnn2)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O c1nnnn1[*:1] CN(C(=O)c1cccc(c1)[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
CN(C(=O)c1cccc(-n2cnnn2)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)c1cccc(c1)-n1cnnn1)[C@H]1CCCC[C@H]1[*:1]
C[C@@H]1CCCc2sc3nc(NCCN4CCOCC4)n4ncnc4c3c21 C1CN(CCO1)[*:1] C[C@@H]1CCCc2sc3nc(NCC[*:1])n4ncnc4c3c21
C[C@@H]1CCCc2sc3nc(NCCN4CCOCC4)n4ncnc4c3c21 C1CN(CCO1)CC[*:1] C[C@@H]1CCCc2sc3nc(N[*:1])n4ncnc4c3c21
C[C@@H]1CCCc2sc3nc(NCCN4CCOCC4)n4ncnc4c3c21 C1CN(CCO1)C[*:1] C[C@@H]1CCCc2sc3nc(NC[*:1])n4ncnc4c3c21
CCC[C@@]1(C)CCCN(C(=O)C(=O)Nc2cccc(C(=O)NC)c2C)C1 CNC(=O)[*:1] CCC[C@@]1(C)CCCN(C1)C(=O)C(=O)Nc1cccc(c1C)[*:1]
CCC[C@@]1(C)CCCN(C(=O)C(=O)Nc2cccc(C(=O)NC)c2C)C1 CCC[*:1] CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@](C)(C2)[*:1])c1C
CC(C)c1ccc(O[C@H](C)C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1
CC(C)c1ccc(O[C@H](C)C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)c1ccc(cc1)O[*:1] C[C@H](C(=O)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1)[*:1]
CC(C)c1ccc(O[C@H](C)C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 Fc1ccc(cc1)C[*:1] CC(C)c1ccc(cc1)O[C@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CC(C)c1ccc(O[C@H](C)C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1
CC(C)c1ccc(O[C@H](C)C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 Fc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)O[C@H](C)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(NN1C(=O)c2ccccc2C1=O)c1cnccn1 c1cnc(cn1)[*:1] O=C1c2ccccc2C(=O)N1NC(=O)[*:1]
CCc1ccsc1CNC(=O)Nc1ccc(-c2ncon2)cc1 CCc1ccsc1[*:1] O=C(NC[*:1])Nc1ccc(cc1)-c1ncon1
CCc1ccsc1CNC(=O)Nc1ccc(-c2ncon2)cc1 c1nc(no1)[*:1] CCc1ccsc1CNC(=O)Nc1ccc(cc1)[*:1]
C/[NH+]=C(/NCCc1cc(F)cc2c1OCOC2)NCc1ccnn1C Cn1nccc1C[*:1] C/[NH+]=C(/NCCc1cc(F)cc2COCOc12)N[*:1]
C/[NH+]=C(/NCCc1cc(F)cc2c1OCOC2)NCc1ccnn1C Cn1nccc1[*:1] C/[NH+]=C(/NCCc1cc(F)cc2COCOc12)NC[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1N(C)C)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccccc1N(C)C)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1N(C)C)c1ccccn1 CN(C)[*:1] CC(C)[C@@H](NC(=O)Nc1ccccc1[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)Nc1ccccc1N(C)C)c1ccccn1 CC(C)[*:1] CN(C)c1ccccc1NC(=O)N[C@@H](c1ccccn1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] CN1C(=O)N(CC(=O)N2c3ccccc3CC[C@@H]2[*:1])C(=O)C12CCCCC2
Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)N(CC(=O)N2c3ccccc3CC[C@@H]2C(=O)N[*:1])C(=O)C12CCCCC2
Cc1nc2ccc(C(=O)OCC(=O)NC(=O)NC(C)C)cc2nc1C CC(C)[*:1] Cc1nc2ccc(cc2nc1C)C(=O)OCC(=O)NC(=O)N[*:1]
O=C1CC[C@@H]2CN(c3nc(C4CC4)ns3)CC[C@H]2N1C1CC1 C1CC1[*:1] O=C1CC[C@@H]2CN(CC[C@H]2N1C1CC1)c1nc(ns1)[*:1]
O=C1CC[C@@H]2CN(c3nc(C4CC4)ns3)CC[C@H]2N1C1CC1 C1CC1[*:1] O=C1CC[C@@H]2CN(CC[C@H]2N1[*:1])c1nc(ns1)C1CC1
Cc1cccc(NC(=O)C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)C[C@H]1SC(=O)N(C[*:1])C1=O
Cc1cccc(NC(=O)C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)C[C@H]1SC(=O)N(C1=O)[*:1]
Cc1cccc(NC(=O)C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)c1 Cc1cccc(c1)[*:1] O=C(C[C@H]1SC(=O)N(Cc2ccccc2)C1=O)N[*:1]
COc1ccc(NC(=O)[C@H]2CC(O)=Nc3nnc(-c4cccs4)n32)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)NC(=O)[C@H]1CC(O)=Nc2nnc(n21)[*:1]
O=C(C[C@@H](O)c1ccccc1)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(C[C@@H](O)c1ccccc1)N[C@H]1CC(=O)N(C1)[*:1]
O=C(C[C@@H](O)c1ccccc1)N[C@H]1CC(=O)N(C2CC2)C1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N[C@H]1CC(=O)N(C1)C1CC1
O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCOc2ccc(C(F)(F)F)cc21 O=S(=O)(NC1CC1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCOc2ccc(cc21)C(F)(F)F
O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCOc2ccc(C(F)(F)F)cc21 FC(F)(F)[*:1] O=C(c1ccc(cc1)S(=O)(=O)NC1CC1)N1CCOc2ccc(cc21)[*:1]
O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCOc2ccc(C(F)(F)F)cc21 C1CC1[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCOc2ccc(cc21)C(F)(F)F
COCCOc1ccc(NC(=O)c2cnn(C)c2C)cn1 COCC[*:1] Cc1c(cnn1C)C(=O)Nc1ccc(nc1)O[*:1]
COCCOc1ccc(NC(=O)c2cnn(C)c2C)cn1 COC[*:1] Cc1c(cnn1C)C(=O)Nc1ccc(nc1)OC[*:1]
COCCOc1ccc(NC(=O)c2cnn(C)c2C)cn1 COCCO[*:1] Cc1c(cnn1C)C(=O)Nc1ccc(nc1)[*:1]
COCCOc1ccc(NC(=O)c2cnn(C)c2C)cn1 Cc1c(cnn1C)[*:1] COCCOc1ccc(cn1)NC(=O)[*:1]
Nc1cc(Br)ccc1C(=O)Nc1cccc(OC(F)F)c1 FC(F)[*:1] Nc1cc(Br)ccc1C(=O)Nc1cccc(c1)O[*:1]
Nc1cc(Br)ccc1C(=O)Nc1cccc(OC(F)F)c1 FC(F)O[*:1] Nc1cc(Br)ccc1C(=O)Nc1cccc(c1)[*:1]
CC[C@@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@@H](OC(=O)c1ccc(cc1)C(N)=O)[*:1]
CC[C@@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccc(F)cc1 NC(=O)[*:1] CC[C@@H](OC(=O)c1ccc(cc1)[*:1])c1ccc(F)cc1
Nn1c(SCCCc2nc(-c3ccccc3)no2)nnc1-c1cccs1 c1csc(c1)[*:1] Nn1c(nnc1[*:1])SCCCc1nc(no1)-c1ccccc1
Nn1c(SCCCc2nc(-c3ccccc3)no2)nnc1-c1cccs1 c1ccc(cc1)[*:1] Nn1c(nnc1-c1cccs1)SCCCc1nc(no1)[*:1]
CCCn1c(=O)c2ccc(Cl)cc2n2c(SCc3cccc(OC)c3)nnc12 COc1cccc(c1)[*:1] CCCn1c(=O)c2ccc(Cl)cc2n2c(nnc12)SC[*:1]
CCCn1c(=O)c2ccc(Cl)cc2n2c(SCc3cccc(OC)c3)nnc12 COc1cccc(c1)C[*:1] CCCn1c(=O)c2ccc(Cl)cc2n2c(nnc12)S[*:1]
CCCn1c(=O)c2ccc(Cl)cc2n2c(SCc3cccc(OC)c3)nnc12 CCC[*:1] COc1cccc(c1)CSc1nnc2n(c(=O)c3ccc(Cl)cc3n12)[*:1]
CC(=O)c1ccc(S(=O)(=O)/N=C(\[O-])CCc2cccc(C)c2)cc1 Cc1cccc(c1)C[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)/N=C(\[O-])C[*:1]
CC(=O)c1ccc(S(=O)(=O)/N=C(\[O-])CCc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)/N=C(\[O-])CC[*:1]
CC(=O)c1ccc(S(=O)(=O)/N=C(\[O-])CCc2cccc(C)c2)cc1 CC(=O)[*:1] Cc1cccc(c1)CC/C([O-])=N/S(=O)(=O)c1ccc(cc1)[*:1]
CC1=NC2=N/C(=N/c3ccc(F)cc3)N[C@H](c3cccnc3)N2C([O-])=C1 c1cncc(c1)[*:1] CC1C=C([O-])N2C(N=1)=N/C(=N/c1ccc(F)cc1)N[C@H]2[*:1]
CC1=NC2=N/C(=N/c3ccc(F)cc3)N[C@H](c3cccnc3)N2C([O-])=C1 Fc1ccc(cc1)[*:1] CC1C=C([O-])N2C(N=1)=NC(=N[*:1])N[C@@H]2c1cccnc1
O=C(Nc1cnn(-c2ncccn2)c1)N[C@H]1CCC[C@H](C2CC2)C1 c1cnc(nc1)[*:1] O=C(Nc1cnn(c1)[*:1])N[C@H]1CCC[C@@H](C1)C1CC1
O=C(Nc1cnn(-c2ncccn2)c1)N[C@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] O=C(Nc1cnn(c1)-c1ncccn1)N[C@H]1CCC[C@H](C1)[*:1]
CC(C)c1noc(-c2ccc(NC(=O)C3C[C@H](C)O[C@@H](C)C3)cc2)n1 CC(C)c1noc(n1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1noc(-c2ccc(NC(=O)C3C[C@H](C)O[C@@H](C)C3)cc2)n1 CC(C)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccc(cc1)-c1nc(no1)[*:1]
Cc1ccoc1C(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 c1cnc(nc1)[*:1] Cc1ccoc1C(=O)NC[C@H]1Cc2cccc(c2O1)[*:1]
Cc1ccoc1C(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 Cc1ccoc1[*:1] O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)[*:1]
COCCN1C[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1=O COCC[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)[C@@H]1CC(=O)N(C1)[*:1]
COCCN1C[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1=O COC[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)[C@@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1=O c1cc(n[nH]1)[*:1] COCCN1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc2[nH]c(=O)[nH]c2c1 Fc1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H]([C@@H]1CCCO1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CC(C)(C)c1nc(CNCc2cccnc2-n2cncn2)cs1 c1ncn(n1)[*:1] CC(C)(C)c1nc(cs1)CNCc1cccnc1[*:1]
CC(C)(C)c1nc(CNCc2cccnc2-n2cncn2)cs1 CC(C)(C)[*:1] c1cnc(c(c1)CNCc1csc(n1)[*:1])-n1cncn1
CCC[C@@H]1CCCN(C(=O)[C@@H](C)C[NH2+]C)CC1 CCC[*:1] C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](CC1)[*:1]
Cc1nn(C)cc1-n1c(S)nnc1-c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 C1CC1[*:1] Cc1nn(C)cc1-n1c(S)nnc1-c1cc(nc2c1c(nn2-c1ccccc1)[*:1])C1CC1
Cc1nn(C)cc1-n1c(S)nnc1-c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 Cc1nn(C)cc1[*:1] Sc1nnc(-c2cc(nc3c2c(nn3-c2ccccc2)C2CC2)C2CC2)n1[*:1]
Cc1nn(C)cc1-n1c(S)nnc1-c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 C1CC1[*:1] Cc1nn(C)cc1-n1c(S)nnc1-c1cc(nc2c1c(nn2-c1ccccc1)C1CC1)[*:1]
Cc1nn(C)cc1-n1c(S)nnc1-c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)cc1-n1c(S)nnc1-c1cc(nc2c1c(nn2[*:1])C1CC1)C1CC1
CCCC(=O)N1CCC[C@H](C(=O)OCc2ccc(OC)cc2)C1 CCC[*:1] COc1ccc(cc1)COC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(CCNC(=O)NC[C@H](C)c2ccsc2)cn1 c1cc(cs1)[*:1] Cc1ccc(cn1)CCNC(=O)NC[C@H](C)[*:1]
Cc1ccc(CCNC(=O)NC[C@H](C)c2ccsc2)cn1 C[C@H](c1ccsc1)[*:1] Cc1ccc(cn1)CCNC(=O)NC[*:1]
Cc1ccc(CCNC(=O)NC[C@H](C)c2ccsc2)cn1 Cc1ccc(cn1)[*:1] C[C@@H](CNC(=O)NCC[*:1])c1ccsc1
COc1cc(NC(=S)NC(=O)c2cc(C)cc(C)c2)ccc1-c1cc2ccccc2oc1=O O=c1oc2ccccc2cc1[*:1] COc1cc(ccc1[*:1])NC(=S)NC(=O)c1cc(C)cc(C)c1
COc1cc(NC(=S)NC(=O)c2cc(C)cc(C)c2)ccc1-c1cc2ccccc2oc1=O Cc1cc(C)cc(c1)[*:1] COc1cc(ccc1-c1cc2ccccc2oc1=O)NC(=S)NC(=O)[*:1]
O=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 c1ccc(cc1)CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cccc(Cl)c1
O=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 c1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1cccc(Cl)c1
O=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 c1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)C(=O)c1cccc(Cl)c1
O=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(NCCc1ccccc1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(NC(=S)NNC(=O)CN2CCN(c3ccccc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CN1CCN(CC1)c1ccccc1)NNC(=S)N[*:1]
Cc1ccc(NC(=S)NNC(=O)CN2CCN(c3ccccc3)CC2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=S)NNC(=O)CN2CCN(CC2)[*:1])c(C)c1
COc1ccc2[nH]cc(C3=CCN(C(=O)C[C@@H](C)C(C)C)CC3)c2c1 CC(C)[*:1] COc1ccc2[nH]cc(C3=CCN(CC3)C(=O)C[C@@H](C)[*:1])c2c1
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]CCO CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]CCO
CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCC2 CCOC(=O)[*:1] COc1ccc(cc1OC)C(=O)Nc1sc2CCCc2c1[*:1]
O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC[C@H](c1ccccc1)[*:1]
O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC[C@H](c1c[nH]c2ccccc12)[*:1]
COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1OC COc1ccc(cc1OC)C[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)c2c(=O)n1C[*:1]
COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)c2c(=O)n1CC[*:1]
COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCn1c(C)cc2OC(N)=C(C#N)[C@@H](c2c1=O)[*:1]
Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C2CCCC2)C2CC2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)[*:1])C1CC1
Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C2CCCC2)C2CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(C1CCCC1)N(CC(=O)N1CCc2sccc2[C@@H]1C[*:1])C1CC1
Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C2CCCC2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)C1CCCC1)[*:1]
Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C2CCCC2)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C1CCCC1)N(CC(=O)N1CCc2sccc2[C@@H]1CO[*:1])C1CC1
Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C2CCCC2)C2CC2)cc1 Cc1ccc(cc1)OC[*:1] O=C(C1CCCC1)N(CC(=O)N1CCc2sccc2[C@@H]1[*:1])C1CC1
C[C@@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[*:1]
CCOC[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2F)C1 CCOC[*:1] C[C@@H](CC(=O)N1CC[C@H](C1)[*:1])c1ccccc1F
CCOC[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2F)C1 CCO[*:1] C[C@@H](CC(=O)N1CC[C@H](C1)C[*:1])c1ccccc1F
CCOC[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2F)C1 Fc1ccccc1[*:1] CCOC[C@@H]1CCN(C1)C(=O)C[C@H](C)[*:1]
CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@H](C)C1 CC[C@H](C)[*:1] C[C@H]1CCC[C@H](C1)[NH2+]CCC(=O)N[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)c1 CC(C)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](C)Oc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)c1 CC(=O)[*:1] CC(C)c1cccc(c1)O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1cccc(COc2cccc(C(=O)Nc3ncccc3O)c2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ncccc1O)c1cccc(c1)OC[*:1]
Cc1cccc(COc2cccc(C(=O)Nc3ncccc3O)c2)c1 Oc1cccnc1[*:1] Cc1cccc(c1)COc1cccc(c1)C(=O)N[*:1]
Cc1cccc(COc2cccc(C(=O)Nc3ncccc3O)c2)c1 Cc1cccc(c1)C[*:1] O=C(Nc1ncccc1O)c1cccc(c1)O[*:1]
CCN(C)S(=O)(=O)N(Cc1c(F)cccc1Cl)C1CC1 C1CC1[*:1] CCN(C)S(=O)(=O)N(Cc1c(F)cccc1Cl)[*:1]
Cn1ncnc1NC(=O)N[C@H](c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] Cn1ncnc1NC(=O)N[C@H](c1ccncc1)[*:1]
Cn1ncnc1NC(=O)N[C@H](c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] Cn1ncnc1NC(=O)N[C@H](c1ccccc1)[*:1]
Cn1ncnc1NC(=O)N[C@H](c1ccccc1)c1ccncc1 Cn1ncnc1[*:1] O=C(N[C@H](c1ccccc1)c1ccncc1)N[*:1]
CC(=O)c1cccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c1 CC(=O)[*:1] O=C(COC(=O)c1cccc(c1)[*:1])Nc1cc(F)ccc1F
CC(=O)c1cccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c1 Fc1ccc(F)c(c1)[*:1] CC(=O)c1cccc(c1)C(=O)OCC(=O)N[*:1]
Cc1nc(NCc2ccc(Cl)cc2Cl)sc1C(=O)[O-] O=C([O-])[*:1] Cc1nc(NCc2ccc(Cl)cc2Cl)sc1[*:1]
Cc1cc(NC(=O)c2oc3ccccc3c2CSc2cccs2)n(C)n1 c1csc(c1)SC[*:1] Cc1cc(NC(=O)c2oc3ccccc3c2[*:1])n(C)n1
Cc1cc(NC(=O)c2oc3ccccc3c2CSc2cccs2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[*:1])c1oc2ccccc2c1CSc1cccs1
Cc1cc(NC(=O)c2oc3ccccc3c2CSc2cccs2)n(C)n1 c1csc(c1)S[*:1] Cc1cc(NC(=O)c2oc3ccccc3c2C[*:1])n(C)n1
Cc1cc(NC(=O)c2oc3ccccc3c2CSc2cccs2)n(C)n1 c1csc(c1)[*:1] Cc1cc(NC(=O)c2oc3ccccc3c2CS[*:1])n(C)n1
CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CCOCC1)CCCC2 C1CN(CCO1)[*:1] CC(=O)Nc1sc2CCCCc2c1[C@@H](c1ccccn1)[*:1]
CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CCOCC1)CCCC2 CC(=O)N[*:1] c1ccc(nc1)[C@H](c1c(sc2CCCCc21)[*:1])N1CCOCC1
CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CCOCC1)CCCC2 c1ccc(nc1)[*:1] CC(=O)Nc1sc2CCCCc2c1[C@@H](N1CCOCC1)[*:1]
NC(=O)[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1 NC(=O)[*:1] O=C1[C@H](CCN1c1ccccc1)N[C@@H](c1ccc(Br)cc1)[*:1]
NC(=O)[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] NC(=O)[C@@H](N[C@H]1CCN(C1=O)c1ccccc1)[*:1]
NC(=O)[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)cc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](N[C@H]1CCN(C1=O)[*:1])c1ccc(Br)cc1
COCCn1cc[nH+]c1C1CCN(C(=O)[C@@H](C)n2cncn2)CC1 C[C@@H](n1cncn1)[*:1] COCCn1cc[nH+]c1C1CCN(CC1)C(=O)[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)[C@@H](C)n2cncn2)CC1 c1ncn(n1)[*:1] COCCn1cc[nH+]c1C1CCN(CC1)C(=O)[C@@H](C)[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)[C@@H](C)n2cncn2)CC1 COC[*:1] C[C@H](C(=O)N1CCC(CC1)c1[nH+]ccn1C[*:1])n1cncn1
COCCn1cc[nH+]c1C1CCN(C(=O)[C@@H](C)n2cncn2)CC1 COCC[*:1] C[C@H](C(=O)N1CCC(CC1)c1[nH+]ccn1[*:1])n1cncn1
CC(C)[C@@H](Cc1nc2ccccc2n1C)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](Cc1nc2ccccc2n1C)[*:1]
CC(C)[C@@H](Cc1nc2ccccc2n1C)C(=O)[O-] CC(C)[*:1] Cn1c(C[C@@H](C(=O)[O-])[*:1])nc2ccccc21
COc1ccc(C[C@H]([NH3+])CCC[C@H]2CCCO2)cn1 C1CO[C@H](C1)[*:1] COc1ccc(cn1)C[C@H]([NH3+])CCC[*:1]
COc1ccc(C[C@H]([NH3+])CCC[C@H]2CCCO2)cn1 C1CO[C@H](C1)C[*:1] COc1ccc(cn1)C[C@H]([NH3+])CC[*:1]
O=C(c1cc2ccccc2s1)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1 C1CC1c1nc(no1)[*:1] O=C(c1cc2ccccc2s1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
O=C(c1cc2ccccc2s1)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1 c1ccc2sc(cc2c1)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C1CC1)[*:1]
O=C(c1cc2ccccc2s1)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1 C1CC1[*:1] O=C(c1cc2ccccc2s1)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
CCOC(=O)CCCNc1nc(Cl)ncc1F CCOC(=O)[*:1] Fc1cnc(Cl)nc1NCCC[*:1]
CC1CCN(C(=O)CN(CC#N)c2ccccc2)CC1 N#CC[*:1] CC1CCN(CC1)C(=O)CN(c1ccccc1)[*:1]
CC1CCN(C(=O)CN(CC#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)CN(CC#N)[*:1]
O=C(Cc1ccc(Cl)c(Cl)c1)NCCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)NCCC(=O)N[*:1]
CCCCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 CCCC[*:1] O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1ccc(cc1)O[*:1]
CCCCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 CCC[*:1] O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1ccc(cc1)OC[*:1]
CCCCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 CCCCO[*:1] O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1ccc(cc1)[*:1]
Cc1nn(C)c(C)c1CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCCO1 Cc1nn(C)c(C)c1C[*:1] CN(C(=O)[C@]1(CCCO1)Cc1cc(no1)C1CCCCC1)[*:1]
Cc1nn(C)c(C)c1CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCCO1 C1CCC(CC1)[*:1] Cc1nn(C)c(C)c1CN(C)C(=O)[C@]1(CCCO1)Cc1cc(no1)[*:1]
Cc1nn(C)c(C)c1CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCCO1 Cc1nn(C)c(C)c1[*:1] CN(C[*:1])C(=O)[C@]1(CCCO1)Cc1cc(no1)C1CCCCC1
O=C(Cn1nc(-c2ccccc2)ccc1=O)Oc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1)O[*:1]
O=C(Cn1nc(-c2ccccc2)ccc1=O)Oc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Oc1cccc(Cl)c1
C[C@@H]1CCC[C@H](NC(=O)COc2csc(C(=O)[O-])c2)[C@@H]1C O=C([O-])[*:1] C[C@@H]1CCC[C@H](NC(=O)COc2csc(c2)[*:1])[C@@H]1C
Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc(CC(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc(cc1)C[*:1]
Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc(CC(=O)NC(C)C)cc1 CC(C)[*:1] Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc(cc1)CC(=O)N[*:1]
Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc(CC(=O)NC(C)C)cc1 Cc1ccc(F)cc1[*:1] CC(C)NC(=O)Cc1ccc(cc1)N[C@@H](C)C(=O)N[*:1]
Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc(CC(=O)NC(C)C)cc1 CC(C)NC(=O)C[*:1] Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc(cc1)[*:1]
CC(C)c1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)on1 c1ccc(nc1)[*:1] CC(C)c1cc(on1)C(=O)Nc1cccc(C#C[*:1])c1
CC(C)c1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)on1 CC(C)c1cc(on1)[*:1] O=C(Nc1cccc(C#Cc2ccccn2)c1)[*:1]
CC(C)c1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)on1 CC(C)[*:1] O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)on1 C(#C[*:1])c1ccccn1 CC(C)c1cc(on1)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2SCCc3ccccc32)c1 CC[C@H](C#N)O[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1SCCc2ccccc21
CCCN(C[C@@H]1COc2ccccc2O1)c1ncnc2nc(N)ccc12 CCC[*:1] Nc1ccc2c(ncnc2n1)N(C[C@@H]1COc2ccccc2O1)[*:1]
Cc1cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c([O-])n2)no1 Cc1cc(no1)[*:1] O=C(CSc1ncc(c([O-])n1)S(=O)(=O)c1ccc(Br)cc1)N[*:1]
Cc1cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c([O-])n2)no1 Cc1cc(no1)NC(=O)[*:1] O=S(=O)(c1ccc(Br)cc1)c1cnc(nc1[O-])SC[*:1]
Cc1cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c([O-])n2)no1 Brc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CSc1ncc(c([O-])n1)S(=O)(=O)[*:1]
O=C(COc1cccc(Br)c1)/N=C1\N=C2C=CC=CN2Cc2ccccc21 Brc1cccc(c1)O[*:1] O=C(C[*:1])/N=C1\N=C2C=CC=CN2Cc2ccccc21
O=C(COc1cccc(Br)c1)/N=C1\N=C2C=CC=CN2Cc2ccccc21 Brc1cccc(c1)[*:1] O=C(CO[*:1])/N=C1\N=C2C=CC=CN2Cc2ccccc21
O=C(COc1cccc(Br)c1)/N=C1\N=C2C=CC=CN2Cc2ccccc21 Brc1cccc(c1)OC[*:1] O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)[*:1]
CCc1cc2c(COC(=O)c3nc(-c4ccccc4)oc3C)cc(=O)oc2cc1O c1ccc(cc1)[*:1] CCc1cc2c(cc(=O)oc2cc1O)COC(=O)c1nc(oc1C)[*:1]
C[C@@H](NC(=O)N(C)C1CCC1)C(C)(C)C[NH+](C)C C1CC(C1)[*:1] C[C@@H](NC(=O)N(C)[*:1])C(C)(C)C[NH+](C)C
O=C(CCCC1CCCC1)NC[C@@H]1CCCN(c2ncccn2)C1 C1CCC(C1)C[*:1] O=C(CC[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
O=C(CCCC1CCCC1)NC[C@@H]1CCCN(c2ncccn2)C1 C1CCC(C1)[*:1] O=C(CCC[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
O=C(CCCC1CCCC1)NC[C@@H]1CCCN(c2ncccn2)C1 C1CCC(C1)CC[*:1] O=C(C[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
O=C(CCCC1CCCC1)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(CCCC1CCCC1)NC[C@@H]1CCCN(C1)[*:1]
O=C(CCCC1CCCC1)NC[C@@H]1CCCN(c2ncccn2)C1 C1CCC(C1)CCC[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1c(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)cnn1C(C)C c1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@@H](C)c1noc(n1)[*:1]
Cc1c(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H](C)c1noc(n1)-c1ccccc1
O=C([O-])C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 O=C([O-])[*:1] FC(F)(F)c1cnc(c(Cl)c1)N1CC[NH+](CC1)C[*:1]
O=C([O-])C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] O=C([O-])C[NH+]1CCN(CC1)c1ncc(cc1Cl)[*:1]
N#CCNC(=O)c1ccc(C[NH3+])o1 N#CC[*:1] [NH3+]Cc1ccc(o1)C(=O)N[*:1]
Cc1ccc(NC(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)cc1C(N)=O Fc1cc(ccc1Cl)[*:1] Cc1ccc(cc1C(N)=O)NC(=O)N[C@H](CO)[*:1]
Cc1ccc(NC(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1
CCOC(=O)N1CCC([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 Clc1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)[NH2+]CC1(CC1)[*:1]
NC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CC=CC[C@H]1c1nc2ccccc2s1
NC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC=CC[C@H]1c1nc2ccccc2s1
NC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] NC(=O)c1ccc(cc1)NC(=O)[C@H]1CC=CC[C@@H]1[*:1]
C#CCN(C(=O)N[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 C[C@H]1CCC[C@H]1[*:1] C#CCN(C(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(C(=O)N[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] C[C@H]1CCC[C@H]1NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CNC(=O)C[NH2+]C[C@@H]1CCCO1 CNC(=O)[*:1] C1CO[C@@H](C1)C[NH2+]C[*:1]
O=C(Nc1ccnn1Cc1ccsc1)c1ccc(F)nc1 c1cc(cs1)[*:1] O=C(Nc1ccnn1C[*:1])c1ccc(F)nc1
O=C(Nc1ccnn1Cc1ccsc1)c1ccc(F)nc1 Fc1ccc(cn1)[*:1] O=C(Nc1ccnn1Cc1ccsc1)[*:1]
O=C(Nc1ccnn1Cc1ccsc1)c1ccc(F)nc1 c1cc(cs1)C[*:1] O=C(Nc1ccnn1[*:1])c1ccc(F)nc1
Cc1nc(C2(NC(=O)CSc3nccn3-c3ccccc3C)CCCC2)no1 Cc1ccccc1[*:1] Cc1nc(no1)C1(CCCC1)NC(=O)CSc1nccn1[*:1]
Cc1nc(C2(NC(=O)CSc3nccn3-c3ccccc3C)CCCC2)no1 Cc1nc(no1)[*:1] Cc1ccccc1-n1ccnc1SCC(=O)NC1(CCCC1)[*:1]
CC(C)C[NH+](Cc1nnnn1-c1ccccc1)C1CC1 CC(C)C[*:1] c1ccc(cc1)-n1nnnc1C[NH+](C1CC1)[*:1]
CC(C)C[NH+](Cc1nnnn1-c1ccccc1)C1CC1 C1CC1[*:1] CC(C)C[NH+](Cc1nnnn1-c1ccccc1)[*:1]
CC(C)C[NH+](Cc1nnnn1-c1ccccc1)C1CC1 c1ccc(cc1)[*:1] CC(C)C[NH+](Cc1nnnn1[*:1])C1CC1
CC(C)C[NH+](Cc1nnnn1-c1ccccc1)C1CC1 CC(C)[*:1] c1ccc(cc1)-n1nnnc1C[NH+](C[*:1])C1CC1
Cc1cccc(C)c1NC(=O)CNC(=O)c1n[nH]c(=O)c2ccccc12 Cc1cccc(C)c1[*:1] O=C(CNC(=O)c1n[nH]c(=O)c2ccccc12)N[*:1]
CC[C@@H](C)n1ncc(C(=O)N[C@H](C)c2nc(C)cs2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N[C@H](C)c2nc(C)cs2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)N[C@H](C)c2nc(C)cs2)c1C1CC1 CC[C@@H](C)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)c1cnn(c1C1CC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)N[C@H](C)c2nc(C)cs2)c1C1CC1 Cc1csc(n1)[*:1] CC[C@@H](C)n1ncc(C(=O)N[C@H](C)[*:1])c1C1CC1
COc1ccc(Cl)c(NNC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1 Cc1ccccc1[*:1] COc1ccc(Cl)c(c1)NNC(=O)[C@@H]1C[C@@H]1[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)C[C@@H]2C=CCC2)CC1 CC(C)[*:1] N#C[C@H](N1CCN(CC1)C(=O)C[C@@H]1C=CCC1)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)C[C@@H]2C=CCC2)CC1 CC(C)[C@H](C#N)[*:1] O=C(C[C@@H]1C=CCC1)N1CCN(CC1)[*:1]
Cc1ccc2[nH]c3c(=O)n(CC(=O)N(C)c4ccc(C)c(C)c4)ncc3c2c1 Cc1ccc(cc1C)[*:1] Cc1ccc2[nH]c3c(=O)n(CC(=O)N(C)[*:1])ncc3c2c1
COc1ccccc1C1(CNC(=O)C2(c3cccs3)CCCCC2)CCOCC1 c1csc(c1)[*:1] COc1ccccc1C1(CCOCC1)CNC(=O)C1(CCCCC1)[*:1]
COc1ccccc1C1(CNC(=O)C2(c3cccs3)CCCCC2)CCOCC1 COc1ccccc1[*:1] O=C(NCC1(CCOCC1)[*:1])C1(CCCCC1)c1cccs1
COc1cccc(NC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 O=S1(=O)CCCN1[*:1] COc1cccc(c1)NC(=O)Nc1ccc(cc1)[*:1]
COc1cccc(NC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)N1CCCS1(=O)=O)N[*:1]
CC[C@H]([NH2+][C@H](CO)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 Clc1ccc(cc1)[*:1] CC[C@H]([NH2+][C@H](CO)[*:1])c1ccc2OCCOc2c1
COC(=O)[C@@H](NCC(C)(C)SC)c1cccc(C#N)c1 COC(=O)[*:1] CSC(C)(C)CN[C@@H](c1cccc(C#N)c1)[*:1]
COC(=O)[C@@H](NCC(C)(C)SC)c1cccc(C#N)c1 CSC(C)(C)[*:1] COC(=O)[C@@H](NC[*:1])c1cccc(C#N)c1
COC(=O)[C@@H](NCC(C)(C)SC)c1cccc(C#N)c1 CSC(C)(C)C[*:1] COC(=O)[C@@H](N[*:1])c1cccc(C#N)c1
COc1ccc(S[C@H](C)C(=O)NC[C@@H]2CN(C)CCO2)cc1 CN1CCO[C@@H](C1)[*:1] COc1ccc(cc1)S[C@H](C)C(=O)NC[*:1]
CC[NH2+][C@H]([C@H](C)c1ccccn1)C(C)(C)C CC(C)(C)[*:1] CC[NH2+][C@H]([C@H](C)c1ccccn1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3cccnc3)n2)C1 c1cncc(c1)N[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3cccnc3)n2)C1 c1cncc(c1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1csc(n1)N[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3cccnc3)n2)C1 CCOC(=O)[*:1] O=C(c1csc(n1)Nc1cccnc1)N1CCC[C@H](C1)[*:1]
Cc1cncc(NC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)c1 Cc1cncc(c1)[*:1] NC(=O)C[C@@H]1CCCN(C1)C(=O)C(=O)N[*:1]
Cc1cncc(NC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)c1 NC(=O)C[*:1] Cc1cncc(c1)NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1cncc(NC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)c1 NC(=O)[*:1] Cc1cncc(c1)NC(=O)C(=O)N1CCC[C@H](C1)C[*:1]
COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccco2)c(O)c1 COC(=O)[*:1] O=C(Nc1ccc(cc1O)[*:1])[C@H]1C[C@H]1c1ccco1
COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccco2)c(O)c1 c1coc(c1)[*:1] COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2[*:1])c(O)c1
CCN(Cc1ccccn1)C(=O)c1cccc2cccnc12 c1ccc(C[*:1])nc1 CCN(C(=O)c1cccc2cccnc12)[*:1]
CCN(Cc1ccccn1)C(=O)c1cccc2cccnc12 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1cccc2cccnc12
CC(C)(C)CC(C)(C)NC(=O)CCSc1ccccn1 CC(C)(C)C[*:1] CC(C)(NC(=O)CCSc1ccccn1)[*:1]
CC(C)(C)CC(C)(C)NC(=O)CCSc1ccccn1 c1ccc(nc1)[*:1] CC(C)(C)CC(C)(C)NC(=O)CCS[*:1]
CC(C)(C)CC(C)(C)NC(=O)CCSc1ccccn1 CC(C)(C)[*:1] CC(C)(C[*:1])NC(=O)CCSc1ccccn1
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 O=[N+]([O-])[*:1] O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(CC1)C(=O)c1sc2cc(ccc2c1Cl)[*:1]
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 O=C([O-])[*:1] O=C(c1sc2cc(ccc2c1Cl)[N+](=O)[O-])N1CCN(CC1)C(=O)[C@H]1CCCC[C@H]1[*:1]
Cc1nc(SCc2nnc(-c3cccc(Cl)c3)o2)oc1C Clc1cccc(c1)[*:1] Cc1nc(oc1C)SCc1nnc(o1)[*:1]
Cc1nc(SCc2nnc(-c3cccc(Cl)c3)o2)oc1C Cc1nc(oc1C)[*:1] Clc1cccc(c1)-c1nnc(CS[*:1])o1
Cc1nc(C(=O)OC[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cs1 Clc1cccc(c1)[*:1] Cc1nc(cs1)C(=O)OC[C@@H]1CC(=O)N(C)[C@@H]1[*:1]
Cc1nc(C(=O)OC[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cs1 Cc1nc(cs1)[*:1] CN1C(=O)C[C@@H](COC(=O)[*:1])[C@@H]1c1cccc(Cl)c1
Cc1nc(CN(C)S(=O)(=O)c2ccc(F)cc2Br)no1 Cc1nc(no1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(F)cc1Br
CC(C)CCOc1cccc(NC(=O)NNc2ccc(Cl)nn2)c1 CC(C)C[*:1] O=C(NNc1ccc(Cl)nn1)Nc1cccc(c1)OC[*:1]
CC(C)CCOc1cccc(NC(=O)NNc2ccc(Cl)nn2)c1 Clc1ccc(nn1)[*:1] CC(C)CCOc1cccc(c1)NC(=O)NN[*:1]
CC(C)CCOc1cccc(NC(=O)NNc2ccc(Cl)nn2)c1 CC(C)CCO[*:1] O=C(NNc1ccc(Cl)nn1)Nc1cccc(c1)[*:1]
CC(C)CCOc1cccc(NC(=O)NNc2ccc(Cl)nn2)c1 CC(C)[*:1] O=C(NNc1ccc(Cl)nn1)Nc1cccc(c1)OCC[*:1]
CC(C)CCOc1cccc(NC(=O)NNc2ccc(Cl)nn2)c1 CC(C)CC[*:1] O=C(NNc1ccc(Cl)nn1)Nc1cccc(c1)O[*:1]
CN(C(=O)Nc1cccc(N2CCCS2(=O)=O)c1)C1CCCCCC1 C1CCCC(CC1)[*:1] CN(C(=O)Nc1cccc(c1)N1CCCS1(=O)=O)[*:1]
CN(C(=O)Nc1cccc(N2CCCS2(=O)=O)c1)C1CCCCCC1 O=S1(=O)CCCN1[*:1] CN(C(=O)Nc1cccc(c1)[*:1])C1CCCCCC1
Cc1sc(NC(=O)c2ccc(Br)nc2)c(C(=O)[O-])c1C O=C([O-])[*:1] Cc1sc(NC(=O)c2ccc(Br)nc2)c(c1C)[*:1]
Cc1noc([C@@H]2CCCN(C(=O)c3cncnc3C(C)C)C2)n1 CC(C)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C(=O)c1cncnc1[*:1]
Cc1noc([C@@H]2CCCN(C(=O)c3cncnc3C(C)C)C2)n1 Cc1noc(n1)[*:1] CC(C)c1ncncc1C(=O)N1CCC[C@H](C1)[*:1]
CCn1c(=O)c2nscc2n(CC(=O)NCc2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] CCn1c(=O)c2nscc2n(CC(=O)NC[*:1])c1=O
CCn1c(=O)c2nscc2n(CC(=O)NCc2ccc(F)cc2)c1=O Fc1ccc(cc1)C[*:1] CCn1c(=O)c2nscc2n(CC(=O)N[*:1])c1=O
O=C(NCCCn1cccn1)NCC1CCCCCCC1 c1cnn(c1)CC[*:1] O=C(NCC1CCCCCCC1)NC[*:1]
O=C(NCCCn1cccn1)NCC1CCCCCCC1 c1cnn(c1)C[*:1] O=C(NCC[*:1])NCC1CCCCCCC1
O=C(NCCCn1cccn1)NCC1CCCCCCC1 c1cnn(c1)[*:1] O=C(NCCC[*:1])NCC1CCCCCCC1
CN(C(=O)c1n[nH]c(C2CC2)n1)[C@H]1CCC[C@H]1C[NH3+] C1CC1[*:1] CN(C(=O)c1n[nH]c(n1)[*:1])[C@H]1CCC[C@H]1C[NH3+]
C[C@H]1CSc2ccc(S(=O)(=O)Nc3cccc(Br)c3)cc2NC1=O Brc1cccc(c1)[*:1] C[C@H]1CSc2ccc(cc2NC1=O)S(=O)(=O)N[*:1]
CCOC(=O)c1sc(N(C(=O)[C@@H]2CCCS2)C2CC2)nc1C C1CC1[*:1] CCOC(=O)c1sc(nc1C)N(C(=O)[C@@H]1CCCS1)[*:1]
CCOC(=O)c1sc(N(C(=O)[C@@H]2CCCS2)C2CC2)nc1C CCOC(=O)[*:1] Cc1nc(sc1[*:1])N(C(=O)[C@@H]1CCCS1)C1CC1
CCc1nn(C)cc1CNC(=O)[C@@H](C)NC(=O)c1ccco1 c1coc(c1)[*:1] CCc1nn(C)cc1CNC(=O)[C@@H](C)NC(=O)[*:1]
N#CC1=C(N)O[C@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccccc1Cl FC(F)(F)[*:1] N#CC1=C(N)O[C@H]2[C@H](C(=NN2c2ccccc2)[*:1])[C@@H]1c1ccccc1Cl
N#CC1=C(N)O[C@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccccc1Cl c1ccc(cc1)[*:1] N#CC1=C(N)O[C@H]2[C@H](C(=NN2[*:1])C(F)(F)F)[C@@H]1c1ccccc1Cl
N#CC1=C(N)O[C@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] N#CC1=C(N)O[C@H]2[C@H](C(=NN2c2ccccc2)C(F)(F)F)[C@H]1[*:1]
O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCc1cccs1 c1csc(c1)C[*:1] O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)N[*:1]
O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCc1cccs1 Fc1ccc(c(Cl)c1)[*:1] O=C(CN1CCN(C[*:1])C1=O)NCc1cccs1
O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCc1cccs1 c1csc(c1)[*:1] O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NC[*:1]
COCC(=O)N1CCN(C(=O)c2cc(C)c(Br)s2)CC1 COC[*:1] Cc1cc(sc1Br)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccccc1CCNC(=O)CSc1nc2ncc(Cl)cc2[n-]1 Cc1ccccc1C[*:1] O=C(CSc1nc2ncc(Cl)cc2[n-]1)NC[*:1]
Cc1ccccc1CCNC(=O)CSc1nc2ncc(Cl)cc2[n-]1 Cc1ccccc1[*:1] O=C(CSc1nc2ncc(Cl)cc2[n-]1)NCC[*:1]
COc1ccc([C@@H](CNCc2ccco2)[NH+](C)C)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)[C@@H](CN[*:1])[NH+](C)C
COc1ccc([C@@H](CNCc2ccco2)[NH+](C)C)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@@H](CNC[*:1])[NH+](C)C
CNS(=O)(=O)c1ccc(NC(=O)c2ccc([S@](C)=O)cc2)cc1 CNS(=O)(=O)[*:1] C[S@](=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CCOCCN(C)c1cc(N2CCCCC2)ncn1 CCOCC[*:1] CN(c1cc(ncn1)N1CCCCC1)[*:1]
CCOCCN(C)c1cc(N2CCCCC2)ncn1 C1CCN(CC1)[*:1] CCOCCN(C)c1cc(ncn1)[*:1]
CCOCCN(C)c1cc(N2CCCCC2)ncn1 CCOC[*:1] CN(C[*:1])c1cc(ncn1)N1CCCCC1
CCOCCN(C)c1cc(N2CCCCC2)ncn1 CCO[*:1] CN(CC[*:1])c1cc(ncn1)N1CCCCC1
CC[C@H](NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1ccc(C)cc1 CC(C)(C)[*:1] CC[C@H](NC(=O)C=C1CN(C1)C(=O)O[*:1])c1ccc(C)cc1
CC[C@H](NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)C=C1CN(C1)C(=O)OC(C)(C)C)[*:1]
CCOC(=O)c1cccc(NC(=O)NC[C@](C)(O)c2ccsc2)c1 CCOC(=O)[*:1] C[C@](O)(CNC(=O)Nc1cccc(c1)[*:1])c1ccsc1
CCOC(=O)c1cccc(NC(=O)NC[C@](C)(O)c2ccsc2)c1 c1cc(cs1)[*:1] CCOC(=O)c1cccc(c1)NC(=O)NC[C@](C)(O)[*:1]
C/C(=C/CCCl)c1cnccc1C ClCC[*:1] CC(=C[*:1])c1cnccc1C
Cc1cccc(OCCN(C)C(=O)Nc2cnn(Cc3ccccc3)c2)c1 Cc1cccc(c1)[*:1] CN(CCO[*:1])C(=O)Nc1cnn(c1)Cc1ccccc1
Cc1cccc(OCCN(C)C(=O)Nc2cnn(Cc3ccccc3)c2)c1 Cc1cccc(c1)O[*:1] CN(CC[*:1])C(=O)Nc1cnn(c1)Cc1ccccc1
Cc1cccc(OCCN(C)C(=O)Nc2cnn(Cc3ccccc3)c2)c1 Cc1cccc(c1)OC[*:1] CN(C[*:1])C(=O)Nc1cnn(c1)Cc1ccccc1
Cc1cccc(OCCN(C)C(=O)Nc2cnn(Cc3ccccc3)c2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)OCCN(C)C(=O)Nc1cnn(c1)[*:1]
Cc1cccc(OCCN(C)C(=O)Nc2cnn(Cc3ccccc3)c2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCCN(C)C(=O)Nc1cnn(c1)C[*:1]
CCCc1ccc([C@H](O)C(CC)(CC)[NH+](C)C)cc1 CCC[*:1] CCC(CC)([C@@H](O)c1ccc(cc1)[*:1])[NH+](C)C
OCC#Cc1cc(F)cc(COC[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] OCC#Cc1cc(F)cc(c1)COC[*:1]
OCC#Cc1cc(F)cc(COC[C@@H]2CCOC2)c1 OCC#C[*:1] Fc1cc(cc(c1)[*:1])COC[C@@H]1CCOC1
OCC#Cc1cc(F)cc(COC[C@@H]2CCOC2)c1 C1C[C@H](CO1)C[*:1] OCC#Cc1cc(F)cc(c1)CO[*:1]
O=C([O-])CN(CC(F)(F)F)C(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 FC(F)(F)[*:1] O=C([O-])CN(C[*:1])C(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2
O=C([O-])CN(CC(F)(F)F)C(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 O=C([O-])C[*:1] O=C([C@H]1C[C@H]2CC[C@@H]1[NH2+]2)N(CC(F)(F)F)[*:1]
O=C([O-])CN(CC(F)(F)F)C(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 O=C([O-])[*:1] O=C([C@H]1C[C@H]2CC[C@@H]1[NH2+]2)N(CC(F)(F)F)C[*:1]
O=C([O-])CN(CC(F)(F)F)C(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 FC(F)(F)C[*:1] O=C([O-])CN(C(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)[*:1]
O=C(NCCCNC(=O)c1cccc(-c2ccoc2)c1)c1cccc(F)c1 c1cc(co1)[*:1] O=C(NCCCNC(=O)c1cccc(c1)[*:1])c1cccc(F)c1
O=C(NCCCNC(=O)c1cccc(-c2ccoc2)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCCNC(=O)[*:1])c1cccc(c1)-c1ccoc1
COc1ccc(OC(=O)c2cccc3ncccc23)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OC(=O)c2cccc3ncccc23)c(c1)[*:1]
CC(C)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)N1CC[NH+](C)CC1 O=C(N1CCCCC1)[*:1] CC(C)[C@@H](CNC(=O)Nc1cccc(c1)[*:1])N1CC[NH+](C)CC1
CC(C)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)Nc1cccc(c1)C(=O)N1CCCCC1)[*:1]
COc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)OCCNC(=O)C[*:1]
CCn1c(=O)c2ccccc2n2c(C[NH+]3CCC(CC(N)=O)CC3)nnc12 NC(=O)[*:1] CCn1c(=O)c2ccccc2n2c(C[NH+]3CCC(CC3)C[*:1])nnc12
CCn1c(=O)c2ccccc2n2c(C[NH+]3CCC(CC(N)=O)CC3)nnc12 NC(=O)C[*:1] CCn1c(=O)c2ccccc2n2c(C[NH+]3CCC(CC3)[*:1])nnc12
COc1cc(C2=NC(=O)C3=C4CCCC[C@@H]4SC3=N2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C1N=C2S[C@H]3CCCCC3=C2C(=O)N=1
COc1cc(C2=NC(=O)C3=C4CCCC[C@@H]4SC3=N2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C1N=C2S[C@H]3CCCCC3=C2C(=O)N=1
COCC[C@@H](C)C(=O)Nc1ccccc1S(=O)(=O)C(F)F COCC[C@@H](C)[*:1] O=C(Nc1ccccc1S(=O)(=O)C(F)F)[*:1]
COCC[C@@H](C)C(=O)Nc1ccccc1S(=O)(=O)C(F)F COCC[*:1] C[C@@H](C(=O)Nc1ccccc1S(=O)(=O)C(F)F)[*:1]
COCC[C@@H](C)C(=O)Nc1ccccc1S(=O)(=O)C(F)F FC(F)[*:1] COCC[C@@H](C)C(=O)Nc1ccccc1S(=O)(=O)[*:1]
COCC[C@@H](C)C(=O)Nc1ccccc1S(=O)(=O)C(F)F COC[*:1] C[C@H](C[*:1])C(=O)Nc1ccccc1S(=O)(=O)C(F)F
COCC[C@@H](C)C(=O)Nc1ccccc1S(=O)(=O)C(F)F O=S(=O)(C(F)F)[*:1] COCC[C@@H](C)C(=O)Nc1ccccc1[*:1]
COc1ccnc(N2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)n1 COc1ccnc(n1)[*:1] O=C1NC(=O)[C@@H](CC(=O)N2CCN(CC2)[*:1])N1
COc1ccccc1N1CCC[C@H](N[C@H](C)c2nc3ccccc3n2C)C1 COc1ccccc1[*:1] C[C@@H](N[C@H]1CCCN(C1)[*:1])c1nc2ccccc2n1C
Cc1noc(C)c1CC(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1noc(C)c1CC(=O)N[*:1]
Nc1cc(C(=O)c2ccc(Br)cc2)ccc1N1CCOCC1 Brc1ccc(cc1)[*:1] Nc1cc(ccc1N1CCOCC1)C(=O)[*:1]
Nc1cc(C(=O)c2ccc(Br)cc2)ccc1N1CCOCC1 C1CN(CCO1)[*:1] Nc1cc(ccc1[*:1])C(=O)c1ccc(Br)cc1
CC[C@@H](NC(=O)C(C)(C)C)c1ccc(OC)c(OC)c1 CC(C)(C)[*:1] CC[C@@H](NC(=O)[*:1])c1ccc(OC)c(c1)OC
Cc1cccc(OC[C@@H](O)CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 Cc1cccc(c1)O[*:1] O=C(NC[C@H](O)C[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
Cc1cccc(OC[C@@H](O)CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@H](O)CO[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
Cc1cccc(OC[C@@H](O)CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 FC(F)(F)[*:1] Cc1cccc(c1)OC[C@@H](O)CNC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CCC1CCC(NC(=O)NCc2cccc(Cn3cncn3)c2)CC1 CCC1CCC(CC1)[*:1] O=C(NCc1cccc(c1)Cn1cncn1)N[*:1]
CCC1CCC(NC(=O)NCc2cccc(Cn3cncn3)c2)CC1 c1ncn(n1)[*:1] CCC1CCC(CC1)NC(=O)NCc1cccc(c1)C[*:1]
CCC1CCC(NC(=O)NCc2cccc(Cn3cncn3)c2)CC1 c1ncn(C[*:1])n1 CCC1CCC(CC1)NC(=O)NCc1cccc(c1)[*:1]
COC(=O)c1ccc(OCCO)c(OC)c1 COC(=O)[*:1] COc1cc(ccc1OCCO)[*:1]
COC(=O)c1ccc(OCCO)c(OC)c1 OCC[*:1] COC(=O)c1ccc(O[*:1])c(c1)OC
COC(=O)c1ccc(OCCO)c(OC)c1 OCCO[*:1] COC(=O)c1ccc(c(c1)OC)[*:1]
Cn1cccc1[C@@H]1CCCN1C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 Cn1cccc1[*:1] O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCC[C@H]1[*:1]
Cn1cccc1[C@@H]1CCCN1C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cn1cccc1[C@@H]1CCCN1C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
Cn1cccc1[C@@H]1CCCN1C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] Cn1cccc1[C@@H]1CCCN1C(=O)N[C@@H]([C@@H]1CCCO1)[*:1]
CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C1)[*:1]
CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 O=[N+]([O-])[*:1] CN1CCN(C(=O)c2ccc(Cl)cc2[*:1])[C@@H](C1)c1ccccc1
CC(C)CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2cccc(C(F)(F)F)c2)C1 CC(C)[*:1] O=C(NC[*:1])[C@H]1C[NH2+]C[C@@H](COc2cccc(c2)C(F)(F)F)C1
CC(C)CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CC(C)CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2cccc(c2)[*:1])C1
CC(C)CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2cccc(C(F)(F)F)c2)C1 CC(C)CNC(=O)[*:1] FC(F)(F)c1cccc(c1)OC[C@@H]1C[NH2+]C[C@@H](C1)[*:1]
CC(C)CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2cccc(C(F)(F)F)c2)C1 CC(C)C[*:1] O=C(N[*:1])[C@H]1C[NH2+]C[C@@H](COc2cccc(c2)C(F)(F)F)C1
CCN1CCn2cc(S(=O)(=O)NCc3ccccc3F)cc2C1=O Fc1ccccc1C[*:1] CCN1CCn2cc(cc2C1=O)S(=O)(=O)N[*:1]
CCN1CCn2cc(S(=O)(=O)NCc3ccccc3F)cc2C1=O Fc1ccccc1[*:1] CCN1CCn2cc(cc2C1=O)S(=O)(=O)NC[*:1]
COC[C@@H](NC(=O)Nc1cncc2ccccc12)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)Nc1cncc2ccccc12)[*:1]
COC[C@@H](NC(=O)Nc1cncc2ccccc12)c1ccc(F)c(F)c1 COC[*:1] O=C(Nc1cncc2ccccc12)N[C@@H](c1ccc(F)c(F)c1)[*:1]
C[C@H](C(=O)Nc1cccc(F)c1)[S@@](=O)Cc1ccc(F)cc1Cl Fc1cccc(c1)[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1ccc(F)cc1Cl
CC(C)CS(=O)(=O)CCC(=O)Nc1ccccn1 c1ccc(nc1)[*:1] CC(C)CS(=O)(=O)CCC(=O)N[*:1]
CC(C)CS(=O)(=O)CCC(=O)Nc1ccccn1 CC(C)[*:1] O=C(CCS(=O)(=O)C[*:1])Nc1ccccn1
CC(C)CS(=O)(=O)CCC(=O)Nc1ccccn1 CC(C)C[*:1] O=C(CCS(=O)(=O)[*:1])Nc1ccccn1
COc1cc(CNc2cnn(CC(F)(F)F)c2)cc(OC)c1 FC(F)(F)[*:1] COc1cc(cc(c1)OC)CNc1cnn(c1)C[*:1]
COc1cc(CNc2cnn(CC(F)(F)F)c2)cc(OC)c1 FC(F)(F)C[*:1] COc1cc(cc(c1)OC)CNc1cnn(c1)[*:1]
CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)CC1 CC(C)CC[*:1] CC[NH+]1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CC[*:1]
CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)CC1 CC(C)C[*:1] CC[NH+]1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C Clc1ccccc1[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(n1C)[*:1]
CNC(=O)NCC(=O)NC1(c2ccc(Cl)cc2)CC1 CNC(=O)N[*:1] O=C(C[*:1])NC1(CC1)c1ccc(Cl)cc1
CNC(=O)NCC(=O)NC1(c2ccc(Cl)cc2)CC1 CNC(=O)NC[*:1] O=C(NC1(CC1)c1ccc(Cl)cc1)[*:1]
Cc1ccccc1CNC(=O)Nc1cccc(C(=O)NC2CC2)c1 Cc1ccccc1[*:1] O=C(NC[*:1])Nc1cccc(c1)C(=O)NC1CC1
Cc1ccccc1CNC(=O)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] Cc1ccccc1CNC(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1ccccc1CNC(=O)Nc1cccc(C(=O)NC2CC2)c1 Cc1ccccc1C[*:1] O=C(Nc1cccc(c1)C(=O)NC1CC1)N[*:1]
Cc1ccccc1CNC(=O)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] Cc1ccccc1CNC(=O)Nc1cccc(c1)[*:1]
O=C(NCCc1c(F)cccc1F)NCc1ccc(-n2ccnc2)c(F)c1 c1cn(cn1)[*:1] O=C(NCCc1c(F)cccc1F)NCc1ccc(c(F)c1)[*:1]
O=C(NCCc1c(F)cccc1F)NCc1ccc(-n2ccnc2)c(F)c1 Fc1cccc(F)c1[*:1] O=C(NCC[*:1])NCc1ccc(c(F)c1)-n1ccnc1
O=C(NCCc1c(F)cccc1F)NCc1ccc(-n2ccnc2)c(F)c1 Fc1cccc(F)c1C[*:1] O=C(NCc1ccc(c(F)c1)-n1ccnc1)NC[*:1]
CCSc1ccccc1N[C@@H](C)C[C@@H]1CCCC[NH2+]1 CCS[*:1] C[C@@H](C[C@@H]1CCCC[NH2+]1)Nc1ccccc1[*:1]
Cn1cc[nH+]c1CN1CCN(CC2(O)CCCCC2)CC1 OC1(CCCCC1)[*:1] Cn1cc[nH+]c1CN1CCN(CC1)C[*:1]
C=C[C@]1(C)CC(=O)N1C(=O)OC(C)(C)C CC(C)(C)[*:1] C=C[C@]1(C)CC(=O)N1C(=O)O[*:1]
O=C(CSc1nnc(-c2cccnc2)o1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(CSc1nnc(o1)-c1cccnc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CSc1nnc(-c2cccnc2)o1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1cncc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
O=C(CSc1nnc(-c2cccnc2)o1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1cccnc1)N1CCN(CC1)S(=O)(=O)C=C[*:1]
COCc1csc(NC(=O)c2c(O)cccc2O)n1 COC[*:1] O=C(Nc1nc(cs1)[*:1])c1c(O)cccc1O
COc1ccc(N2C(=O)C(=O)/C(=C([O-])/C=C/c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C(=O)/C(=C(\[O-])C=C[*:1])[C@H]1c1ccc(cc1)[N+](=O)[O-]
COc1ccc(N2C(=O)C(=O)/C(=C([O-])/C=C/c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C(=O)/C(=C([O-])/C=C/c2ccccc2)[C@@H]1[*:1]
COc1ccc(N2C(=O)C(=O)/C(=C([O-])/C=C/c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)N1C(=O)C(=O)/C(=C([O-])/C=C/c2ccccc2)[C@H]1c1ccc(cc1)[*:1]
COc1ccc(N2C(=O)C(=O)/C(=C([O-])/C=C/c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 COc1ccc(cc1)[*:1] O=C1C(=O)N([C@@H](/C1=C([O-])\C=C\c1ccccc1)c1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ccc(N2C(=O)C(=O)/C(=C([O-])/C=C/c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 C(=C[*:1])c1ccccc1 COc1ccc(cc1)N1C(=O)C(=O)/C(=C(\[O-])[*:1])[C@H]1c1ccc(cc1)[N+](=O)[O-]
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])Cn2ccc3ccccc32)s1 Cc1nc(C)c(s1)[*:1] O=S(=O)(/N=C(\[O-])Cn1ccc2ccccc21)[*:1]
C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)COc1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)COc1ccc(cc1)[*:1])c1cccc(Cl)c1
CC[C@H](CSC)N(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 CSC[*:1] CC[C@H](N(C)C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] CC[C@H](CSC)N(C)C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 Cc1cc(C)n(n1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CNC(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 CNC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc2c(c1)OCCO2 Ic1ccc(cc1)[*:1] CC[C@@H](NC(=O)CO[*:1])c1ccc2OCCOc2c1
CC[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc2c(c1)OCCO2 Ic1ccc(cc1)O[*:1] CC[C@@H](NC(=O)C[*:1])c1ccc2OCCOc2c1
COc1cc(C)c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1OC Clc1ccc(cc1Cl)[*:1] COc1cc(C)c(cc1OC)NC(=O)C=C[*:1]
N#Cc1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cn1 N#Cc1ccc(cn1)[*:1] O=C(N1CCN(CC1)c1nc2ccccc2s1)[*:1]
Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC3=NCCS3)c12 c1csc(c1)[*:1] Cc1nn(C)c2nc(cc(C(=O)NC3=NCCS3)c12)[*:1]
Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] Cc1cccc(c1NS(=O)(=O)[*:1])C(C)C
Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(Cl)nc1 CC(C)[*:1] Cc1cccc(c1NS(=O)(=O)c1ccc(Cl)nc1)[*:1]
C[C@@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)N[*:1]
C[C@@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] C[C@@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)[*:1]
Cc1ccccc1[C@@H]1CCCN1CN1C(=O)C[C@]2(CCSC2)C1=O Cc1ccccc1[*:1] O=C1C[C@]2(CCSC2)C(=O)N1CN1CCC[C@H]1[*:1]
CCCN1CCO[C@@H](c2nc(C)c(C)c(=O)[nH]2)C1 CCC[*:1] Cc1nc([nH]c(=O)c1C)[C@H]1CN(CCO1)[*:1]
Cc1cccc(N2CCC(NC(=O)c3ncccc3C(F)(F)F)CC2)[nH+]1 FC(F)(F)[*:1] Cc1cccc([nH+]1)N1CCC(CC1)NC(=O)c1ncccc1[*:1]
Cc1c(O[C@@H](C)C(=O)NCCCN2CCCC2=O)ccc2c3c(c(=O)oc12)CCCC3 O=C1CCCN1C[*:1] Cc1c(ccc2c3CCCCc3c(=O)oc12)O[C@@H](C)C(=O)NCC[*:1]
Cc1c(O[C@@H](C)C(=O)NCCCN2CCCC2=O)ccc2c3c(c(=O)oc12)CCCC3 O=C1CCCN1CC[*:1] Cc1c(ccc2c3CCCCc3c(=O)oc12)O[C@@H](C)C(=O)NC[*:1]
Cc1c(O[C@@H](C)C(=O)NCCCN2CCCC2=O)ccc2c3c(c(=O)oc12)CCCC3 O=C1CCCN1[*:1] Cc1c(ccc2c3CCCCc3c(=O)oc12)O[C@@H](C)C(=O)NCCC[*:1]
Cc1c(O[C@@H](C)C(=O)NCCCN2CCCC2=O)ccc2c3c(c(=O)oc12)CCCC3 O=C1CCCN1CCC[*:1] Cc1c(ccc2c3CCCCc3c(=O)oc12)O[C@@H](C)C(=O)N[*:1]
CC(C)(C)c1cc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)n(-c2ccccc2)n1 CC(C)(C)[*:1] O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1cc(nn1-c1ccccc1)[*:1]
CC(C)(C)c1cc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)(C)c1cc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)n(n1)[*:1]
CCCn1c(SCc2c(C)cccc2C)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCCn1c(nnc1[*:1])SCc1c(C)cccc1C
CCCn1c(SCc2c(C)cccc2C)nnc1-c1ccncc1 Cc1cccc(C)c1[*:1] CCCn1c(nnc1-c1ccncc1)SC[*:1]
CCCn1c(SCc2c(C)cccc2C)nnc1-c1ccncc1 CCC[*:1] Cc1cccc(C)c1CSc1nnc(-c2ccncc2)n1[*:1]
CC(C)NC(=O)NCC1CCN(C(=O)c2cccnc2)CC1 CC(C)NC(=O)N[*:1] O=C(c1cccnc1)N1CCC(CC1)C[*:1]
CC(C)NC(=O)NCC1CCN(C(=O)c2cccnc2)CC1 CC(C)[*:1] O=C(NCC1CCN(CC1)C(=O)c1cccnc1)N[*:1]
CC(C)NC(=O)NCC1CCN(C(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] CC(C)NC(=O)NCC1CCN(CC1)C(=O)[*:1]
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1F CC(C)(C)[*:1] C[C@H](NC(=O)O[*:1])C(=O)Nc1cc(F)ccc1F
Cc1ccc(Nc2ncnc(Nc3cccc4ncccc34)c2N)c(C)c1 Cc1ccc(N[*:1])c(C)c1 Nc1c(ncnc1[*:1])Nc1cccc2ncccc12
Cc1ccc(Nc2ncnc(Nc3cccc4ncccc34)c2N)c(C)c1 Cc1ccc(c(C)c1)[*:1] Nc1c(ncnc1N[*:1])Nc1cccc2ncccc12
COc1cc(F)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2-n2cc(C)cn2)cc1OC Cc1cnn(c1)[*:1] COc1cc(F)c(cc1OC)S(=O)(=O)[N-]c1cc(ccc1[*:1])C(N)=O
COc1cc(F)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2-n2cc(C)cn2)cc1OC NC(=O)[*:1] COc1cc(F)c(cc1OC)S(=O)(=O)[N-]c1cc(ccc1-n1cc(C)cn1)[*:1]
O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(CCO)CC1 OCC[*:1] O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(CC1)[*:1]
Cc1cccc(C)c1OCCNC(=O)Nc1ccc([S@](C)=O)cc1 Cc1cccc(C)c1[*:1] C[S@](=O)c1ccc(cc1)NC(=O)NCCO[*:1]
CCCOCC(=O)Nc1cc(C(N)=O)ccc1C NC(=O)[*:1] CCCOCC(=O)Nc1cc(ccc1C)[*:1]
CCCOCC(=O)Nc1cc(C(N)=O)ccc1C CCCO[*:1] Cc1ccc(cc1NC(=O)C[*:1])C(N)=O
CCCOCC(=O)Nc1cc(C(N)=O)ccc1C CCCOC[*:1] Cc1ccc(cc1NC(=O)[*:1])C(N)=O
CCCOCC(=O)Nc1cc(C(N)=O)ccc1C CCC[*:1] Cc1ccc(cc1NC(=O)CO[*:1])C(N)=O
N#Cc1ccc(N2CCC(C(=O)NCc3ccccc3F)CC2)nc1 Fc1ccccc1[*:1] N#Cc1ccc(nc1)N1CCC(CC1)C(=O)NC[*:1]
N#Cc1ccc(N2CCC(C(=O)NCc3ccccc3F)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(NCc1ccccc1F)C1CCN(CC1)[*:1]
N#Cc1ccc(N2CCC(C(=O)NCc3ccccc3F)CC2)nc1 Fc1ccccc1C[*:1] N#Cc1ccc(nc1)N1CCC(CC1)C(=O)N[*:1]
O=C(NC[C@H]1CCCO1)c1cn2c(n1)CSCC2 C1CO[C@H](C1)C[*:1] O=C(N[*:1])c1cn2CCSCc2n1
O=C(NC[C@H]1CCCO1)c1cn2c(n1)CSCC2 C1CO[C@H](C1)[*:1] O=C(NC[*:1])c1cn2CCSCc2n1
CC[C@H](NC(=O)CC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 C1COC[C@H](C1)C[*:1] CC[C@H](NC(=O)C[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)CC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 C1COC[C@H](C1)[*:1] CC[C@H](NC(=O)CC[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)CC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)CC[C@H]1CCCOC1)c1cccc(c1)[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)N[C@@H]3CCC[C@H](C4CC4)C3)C2)CC1 C1CC1[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc3c(c2)CCO3)n1 CCOC(=O)[*:1] O=S(=O)(Nc1nc(cs1)C[*:1])c1ccc2OCCc2c1
CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc3c(c2)CCO3)n1 CCOC(=O)C[*:1] O=S(=O)(Nc1nc(cs1)[*:1])c1ccc2OCCc2c1
CC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl CC(=O)C[*:1] Clc1c(Cl)c(Cl)c(O[*:1])c(Cl)c1Cl
CC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl CC(=O)CO[*:1] Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)[*:1]
CC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl CC(=O)[*:1] Clc1c(Cl)c(Cl)c(OC[*:1])c(Cl)c1Cl
O=C(CCl)c1c[nH]c2cc(F)ccc12 O=C(CCl)[*:1] Fc1ccc2c(c[nH]c2c1)[*:1]
O=C1CSC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N1c1ccc(F)cc1 FC(F)(F)c1cccc(c1)[*:1] O=C1CSC2(CCN(CC2)S(=O)(=O)[*:1])N1c1ccc(F)cc1
O=C1CSC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N1c1ccc(F)cc1 FC(F)(F)[*:1] O=C1CSC2(CCN(CC2)S(=O)(=O)c2cccc(c2)[*:1])N1c1ccc(F)cc1
O=C1CSC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1CSC2(CCN(CC2)S(=O)(=O)c2cccc(c2)C(F)(F)F)N1[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)CN(C)c1ccccc1 CN(C)[*:1] CN(CC(=O)Nc1cc(Cl)ccc1[*:1])c1ccccc1
CN(C)c1ccc(Cl)cc1NC(=O)CN(C)c1ccccc1 c1ccc(cc1)[*:1] CN(C)c1ccc(Cl)cc1NC(=O)CN(C)[*:1]
[NH3+]CCOCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 [NH3+]CCOC[*:1] O=C(N1CC[C@@H]2CCCC[C@@H]2C1)[*:1]
CC[C@H](C)C(=O)N1CCCC[C@H]1CC CC[C@H](C)[*:1] CC[C@@H]1CCCCN1C(=O)[*:1]
O=C(CCSc1cc(-c2ccccc2)ncn1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CCSc1cc(ncn1)-c1ccccc1)N[*:1]
O=C(CCSc1cc(-c2ccccc2)ncn1)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(CCSc1cc(ncn1)[*:1])Nc1cccc(Cl)c1
Cc1[nH+]ccn1CCCCNC(=O)N1CCCC[C@@H]1C1OCCO1 C1COC(O1)[*:1] Cc1[nH+]ccn1CCCCNC(=O)N1CCCC[C@H]1[*:1]
CC(=O)Nc1ccc(/C=C/C(=O)c2cccc(OCC(=O)N(C)C)c2)cc1 CN(C)C(=O)CO[*:1] CC(=O)Nc1ccc(/C=C/C(=O)c2cccc(c2)[*:1])cc1
CC(=O)Nc1ccc(/C=C/C(=O)c2cccc(OCC(=O)N(C)C)c2)cc1 CC(=O)N[*:1] CN(C)C(=O)COc1cccc(c1)C(=O)/C=C/c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(/C=C/C(=O)c2cccc(OCC(=O)N(C)C)c2)cc1 CN(C)C(=O)[*:1] CC(=O)Nc1ccc(/C=C/C(=O)c2cccc(c2)OC[*:1])cc1
CC(=O)Nc1ccc(/C=C/C(=O)c2cccc(OCC(=O)N(C)C)c2)cc1 CN(C)C(=O)C[*:1] CC(=O)Nc1ccc(/C=C/C(=O)c2cccc(c2)O[*:1])cc1
Cc1c(C(=O)N2C[C@@H](C)S[C@H](C)C2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])C(=O)N1C[C@@H](C)S[C@H](C)C1
Cc1noc(CCN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1 Fc1ccc(cc1)[*:1] Cc1noc(CCN[C@@H](C)c2cnn(c2C)[*:1])n1
Cc1noc(CCN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1 Cc1noc(n1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@H](C)NCC[*:1]
Cc1noc(CCN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1 Cc1noc(CC[*:1])n1 Cc1c(cnn1-c1ccc(F)cc1)[C@H](C)N[*:1]
Cc1noc(CCN[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1 Cc1noc(C[*:1])n1 Cc1c(cnn1-c1ccc(F)cc1)[C@H](C)NC[*:1]
CN(Cc1csc(Br)c1)C(=O)c1cc(C#N)cs1 Brc1cc(cs1)[*:1] CN(C[*:1])C(=O)c1cc(C#N)cs1
COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(F)c(F)c3F)[C@H]2c2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)N1C(=O)CC[C@H](C(=O)Nc2ccc(F)c(F)c2F)[C@@H]1[*:1]
COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(F)c(F)c3F)[C@H]2c2ccccc2OC)cc1 Fc1ccc(c(F)c1F)[*:1] COc1ccc(cc1)N1C(=O)CC[C@H](C(=O)N[*:1])[C@H]1c1ccccc1OC
COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(F)c(F)c3F)[C@H]2c2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1[C@H](CCC(=O)N1[*:1])C(=O)Nc1ccc(F)c(F)c1F
CO[C@H]1CCCC[C@H]1NC(=O)N1CC[C@H](CSC)C1 CSC[*:1] CO[C@H]1CCCC[C@H]1NC(=O)N1CC[C@H](C1)[*:1]
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1cccnc1 Clc1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)NNC(=O)c1cccnc1
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1cccnc1 c1cncc(c1)[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)[*:1]
CCc1nn(C)c(CC)c1CNC(=O)Nc1cc(C(C)C)on1 CC(C)[*:1] CCc1nn(C)c(CC)c1CNC(=O)Nc1cc(on1)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCSC(C)(C)C2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)[C@H](C)N2CCSC(C)(C)C2)c(C)c1[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 C1CCN(C1)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)NCc1cc[nH+]c(c1)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 O=C(Nc1ccccc1)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)N1CCC[C@@H](C1)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)NCc1cc[nH+]c(c1)N1CCCC1
C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccnc1 c1cn(cn1)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1cccnc1
C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)-n1ccnc1)[*:1]
CC[C@H](C(=O)NCc1cc(Br)ccc1OC)n1nc(C)n2c(cc3occc32)c1=O COc1ccc(Br)cc1C[*:1] CC[C@H](C(=O)N[*:1])n1nc(C)n2c(cc3occc32)c1=O
CC[C@H](C(=O)NCc1cc(Br)ccc1OC)n1nc(C)n2c(cc3occc32)c1=O COc1ccc(Br)cc1[*:1] CC[C@H](C(=O)NC[*:1])n1nc(C)n2c(cc3occc32)c1=O
CCCCCc1nnc(NC(=O)c2cnc3c(C)cccn3c2=O)s1 CCC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)Nc1nnc(CC[*:1])s1
CCCCCc1nnc(NC(=O)c2cnc3c(C)cccn3c2=O)s1 CCCCC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)Nc1nnc(s1)[*:1]
CCCCCc1nnc(NC(=O)c2cnc3c(C)cccn3c2=O)s1 CCCC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)Nc1nnc(C[*:1])s1
O=C(Nc1nccs1)C1CCN(C(=O)CN2CCc3ccccc32)CC1 O=C(Nc1nccs1)[*:1] O=C(CN1CCc2ccccc21)N1CCC(CC1)[*:1]
O=C(Nc1nccs1)C1CCN(C(=O)CN2CCc3ccccc32)CC1 c1csc(n1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)CN1CCc2ccccc21
Cc1nc2n(n1)[C@H](c1ccccc1F)C1=C(C[C@H](c3ccco3)CC1=O)N2 c1coc(c1)[*:1] Cc1nc2NC3C[C@H](CC(=O)C=3[C@@H](c3ccccc3F)n2n1)[*:1]
Cc1nc2n(n1)[C@H](c1ccccc1F)C1=C(C[C@H](c3ccco3)CC1=O)N2 Fc1ccccc1[*:1] Cc1nc2NC3C[C@@H](CC(=O)C=3[C@@H](n2n1)[*:1])c1ccco1
Cc1ccc(/C=C/C(=O)NCc2cccnc2)cc1Cl c1cncc(c1)[*:1] Cc1ccc(/C=C/C(=O)NC[*:1])cc1Cl
O=C(Nc1ccc2c(c1)CN(C(=O)Cc1ccsc1)CC2)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Cc1ccsc1)N1CCc2ccc(cc2C1)NC(=O)[*:1]
O=C(Nc1ccc2c(c1)CN(C(=O)Cc1ccsc1)CC2)c1ccccc1Cl c1cc(cs1)[*:1] O=C(Nc1ccc2CCN(Cc2c1)C(=O)C[*:1])c1ccccc1Cl
O=C(Nc1ccc2c(c1)CN(C(=O)Cc1ccsc1)CC2)c1ccccc1Cl c1cc(cs1)C[*:1] O=C(Nc1ccc2CCN(Cc2c1)C(=O)[*:1])c1ccccc1Cl
NC(=S)[C@@H]1CCCCN1Cc1nccs1 c1csc(n1)[*:1] NC(=S)[C@@H]1CCCCN1C[*:1]
NC(=S)[C@@H]1CCCCN1Cc1nccs1 NC(=S)[*:1] c1csc(CN2CCCC[C@H]2[*:1])n1
CCN(CC(C)(C)O)C(=O)c1cccc(Cl)c1 CC(C)(O)C[*:1] CCN(C(=O)c1cccc(Cl)c1)[*:1]
CCN(CC(C)(C)O)C(=O)c1cccc(Cl)c1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)c1cccc(Cl)c1
Cc1ccc(C(=O)NCCNC(=O)N2c3ccccc3C[C@H]2C)cc1F Cc1ccc(cc1F)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)NCCNC(=O)[*:1]
COC1CC[NH+](Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] COC1CC[NH+](CC1)Cc1cn(nc1[*:1])-c1cc(C)ccc1C
COC1CC[NH+](Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1 Cc1ccc(C)c(c1)[*:1] COC1CC[NH+](CC1)Cc1cn(nc1-c1ccccc1)[*:1]
Cc1ncc([C@H](C)NC[C@@H](O)c2ccc(F)cc2)s1 Cc1ncc(s1)[*:1] C[C@H](NC[C@@H](O)c1ccc(F)cc1)[*:1]
CC/[NH+]=C(/NCC[C@@H]1CCC[C@H](C)C1)NC1CCN(C(N)=O)CC1 C[C@H]1CCC[C@H](C1)[*:1] CC/[NH+]=C(/NCC[*:1])NC1CCN(CC1)C(N)=O
CC/[NH+]=C(/NCC[C@@H]1CCC[C@H](C)C1)NC1CCN(C(N)=O)CC1 C[C@H]1CCC[C@H](C1)C[*:1] CC/[NH+]=C(/NC[*:1])NC1CCN(CC1)C(N)=O
O=C(NCc1cc(=O)[nH]c2ccccc12)N1CCC[C@@H]1C1CCCC1 C1CCC(C1)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)N1CCC[C@H]1[*:1]
CCSc1ccc(Cl)cc1C(=O)N[C@H]1CCC[C@H]([S@@](=O)CC)C1 CCS[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)c1cc(Cl)ccc1[*:1]
C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)Cc1ccc[nH]1 Clc1ccccc1[*:1] C[C@H]1CO[C@@H](CN1C(=O)Cc1ccc[nH]1)[*:1]
C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] C[C@H]1CO[C@H](CN1C(=O)[*:1])c1ccccc1Cl
C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] C[C@H]1CO[C@H](CN1C(=O)C[*:1])c1ccccc1Cl
Cc1cc(C)c(NC(=O)C(=O)NC(C)C)c(C)c1 CC(C)[*:1] Cc1cc(C)c(NC(=O)C(=O)N[*:1])c(C)c1
COc1cc(CNC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OC Cc1cc(ccc1Br)[*:1] COc1cc(cc(OC)c1OC)CNC(=O)N[*:1]
C#CCNCC(=O)N[C@@H](C)c1nc(C)cs1 C#CCN[*:1] Cc1csc(n1)[C@H](C)NC(=O)C[*:1]
C#CCNCC(=O)N[C@@H](C)c1nc(C)cs1 C#CC[*:1] Cc1csc(n1)[C@H](C)NC(=O)CN[*:1]
C#CCNCC(=O)N[C@@H](C)c1nc(C)cs1 C#CCNC[*:1] Cc1csc(n1)[C@H](C)NC(=O)[*:1]
CC[C@H](C)[C@H]([NH3+])c1nc2ncc(C)cc2[nH]1 CC[C@H](C)[*:1] Cc1cnc2nc([nH]c2c1)[C@@H]([NH3+])[*:1]
CCOC[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2)C1 CCO[*:1] N#Cc1ccc(cc1)CNC(=O)N1CCC[C@H](C1)C[*:1]
CCOC[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2)C1 CCOC[*:1] N#Cc1ccc(cc1)CNC(=O)N1CCC[C@H](C1)[*:1]
CCC[NH2+][C@H](C[NH+](C)C)[C@@H]1CCOC2(CCC2)C1 CCC[*:1] C[NH+](C)C[C@@H]([NH2+][*:1])[C@@H]1CCOC2(CCC2)C1
CC[C@@H]1CCCN(c2cc([C@@H](C)O)cc[nH+]2)C1 C[C@@H](O)[*:1] CC[C@@H]1CCCN(C1)c1cc(cc[nH+]1)[*:1]
Cc1ccc(Oc2ccc(N)c(C(F)(F)F)c2)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)Oc1ccc(N)c(c1)[*:1]
CC[C@@H]([NH2+]C[C@H](C)SC)c1cccs1 CS[C@@H](C)[*:1] CC[C@@H]([NH2+]C[*:1])c1cccs1
Cc1ccc2nc(NC(=O)c3cc(-c4ccccc4)on3)sc2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(NC(=O)c3cc(on3)[*:1])sc2c1
CC(C)Oc1ccc2nnc(CCC(=O)Nc3ccc4cc[nH]c4c3)n2n1 CC(C)[*:1] O=C(CCc1nnc2ccc(nn12)O[*:1])Nc1ccc2cc[nH]c2c1
CC(C)Oc1ccc2nnc(CCC(=O)Nc3ccc4cc[nH]c4c3)n2n1 c1cc2ccc(cc2[nH]1)[*:1] CC(C)Oc1ccc2nnc(CCC(=O)N[*:1])n2n1
CC(C)Oc1ccc2nnc(CCC(=O)Nc3ccc4cc[nH]c4c3)n2n1 CC(C)O[*:1] O=C(CCc1nnc2ccc(nn12)[*:1])Nc1ccc2cc[nH]c2c1
CCN(C(=O)[C@H](C)NC(C)=O)[C@@H](C)c1cccc(OC)c1 CC(=O)N[*:1] CCN(C(=O)[C@H](C)[*:1])[C@@H](C)c1cccc(c1)OC
CCN(C(=O)[C@H](C)NC(C)=O)[C@@H](C)c1cccc(OC)c1 CC(=O)N[C@@H](C)[*:1] CCN(C(=O)[*:1])[C@@H](C)c1cccc(c1)OC
Cc1cc(CN(C)C(=O)c2cccc(OCC(F)F)n2)no1 Cc1cc(C[*:1])no1 CN(C(=O)c1cccc(n1)OCC(F)F)[*:1]
Cc1cc(CN(C)C(=O)c2cccc(OCC(F)F)n2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)c1cccc(n1)OCC(F)F
Cc1cc(CN(C)C(=O)c2cccc(OCC(F)F)n2)no1 FC(F)[*:1] Cc1cc(CN(C)C(=O)c2cccc(n2)OC[*:1])no1
Cc1cc(CN(C)C(=O)c2cccc(OCC(F)F)n2)no1 FC(F)CO[*:1] Cc1cc(CN(C)C(=O)c2cccc(n2)[*:1])no1
Cc1cc(CN(C)C(=O)c2cccc(OCC(F)F)n2)no1 FC(F)C[*:1] Cc1cc(CN(C)C(=O)c2cccc(n2)O[*:1])no1
N#C/C(=C\c1ccco1)c1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 c1coc(c1)[*:1] N#CC(=C[*:1])c1nc(cs1)-c1ccc2OCC(=O)Nc2c1
O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H](Cc1ccccc1)n1cnnn1 C1CC(CCO1)[*:1] O=C(Nc1cc([nH]n1)[*:1])[C@H](Cc1ccccc1)n1cnnn1
O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H](Cc1ccccc1)n1cnnn1 c1nnnn1[*:1] O=C(Nc1cc([nH]n1)C1CCOCC1)[C@H](Cc1ccccc1)[*:1]
O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)[*:1] O=C(Nc1cc([nH]n1)C1CCOCC1)[C@H](C[*:1])n1cnnn1
O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)C[*:1] O=C(Nc1cc([nH]n1)C1CCOCC1)[C@H](n1cnnn1)[*:1]
COc1ccc(C(C)=O)cc1CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 COc1ccc(cc1[*:1])C(C)=O O=c1c2-c(nc(SC[*:1])n3CCCCCc23)nn1-c1ccccc1
COc1ccc(C(C)=O)cc1CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 c1ccc(cc1)[*:1] COc1ccc(cc1CSc1nc2nn(c(=O)c-2c2CCCCCn12)[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 CC(=O)[*:1] COc1ccc(cc1CSc1nc2nn(-c3ccccc3)c(=O)c-2c2CCCCCn12)[*:1]
CC(=O)c1cccc(Oc2cccc(C)c2[N+](=O)[O-])c1 CC(=O)[*:1] Cc1cccc(Oc2cccc(c2)[*:1])c1[N+](=O)[O-]
CC(=O)c1cccc(Oc2cccc(C)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1cccc(c1)Oc1cccc(C)c1[*:1]
CC(C)COc1ccc(C(C)(C)NC(=O)[C@H]2CCC(=O)N2)cc1 CC(C)CO[*:1] CC(C)(NC(=O)[C@H]1CCC(=O)N1)c1ccc(cc1)[*:1]
CC(C)COc1ccc(C(C)(C)NC(=O)[C@H]2CCC(=O)N2)cc1 CC(C)C[*:1] CC(C)(NC(=O)[C@H]1CCC(=O)N1)c1ccc(cc1)O[*:1]
CC(C)COc1ccc(C(C)(C)NC(=O)[C@H]2CCC(=O)N2)cc1 CC(C)[*:1] CC(C)(NC(=O)[C@H]1CCC(=O)N1)c1ccc(cc1)OC[*:1]
C[C@H]1c2ccsc2CCN1c1cc([C@@H](C)O)cc[nH+]1 C[C@@H](O)[*:1] C[C@H]1c2ccsc2CCN1c1cc(cc[nH+]1)[*:1]
C[C@@H](c1ccncc1)N1C[C@@H](C(=O)[O-])CC1=O O=C([O-])[*:1] C[C@@H](c1ccncc1)N1C[C@@H](CC1=O)[*:1]
COc1ccc(N2C[C@@H](C(=O)N3CC4(COC(C)(C)OC4)C3)CC2=O)cc1 COc1ccc(cc1)[*:1] CC1(C)OCC2(CO1)CN(C2)C(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(N[C@@H](CO)c1ccco1)c1ccccc1OC1CCC1 C1CC(C1)O[*:1] O=C(N[C@@H](CO)c1ccco1)c1ccccc1[*:1]
O=C(N[C@@H](CO)c1ccco1)c1ccccc1OC1CCC1 c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1ccccc1OC1CCC1
O=C(N[C@@H](CO)c1ccco1)c1ccccc1OC1CCC1 C1CC(C1)[*:1] O=C(N[C@@H](CO)c1ccco1)c1ccccc1O[*:1]
CC(C)c1nc(-c2ccc(N3CCN(C(=O)Cc4noc5ccccc45)CC3)[nH+]c2)no1 CC(C)c1nc(no1)[*:1] O=C(Cc1noc2ccccc12)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CC(C)c1nc(-c2ccc(N3CCN(C(=O)Cc4noc5ccccc45)CC3)[nH+]c2)no1 c1ccc2c(noc2c1)[*:1] CC(C)c1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)C[*:1]
CC(C)c1nc(-c2ccc(N3CCN(C(=O)Cc4noc5ccccc45)CC3)[nH+]c2)no1 CC(C)[*:1] O=C(Cc1noc2ccccc12)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
CC(C)c1nc(-c2ccc(N3CCN(C(=O)Cc4noc5ccccc45)CC3)[nH+]c2)no1 c1ccc2c(C[*:1])noc2c1 CC(C)c1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
CCn1nc(C)c(NC(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)N[C@H]2C[C@@H](C)N(C2)[*:1])c1C
CCN(C(=O)CCCn1cc[nH+]c1C)[C@@H](C)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCN(C(=O)CCCn1cc[nH+]c1C)[C@@H](C)[*:1]
COC(=O)[C@H](c1ccc(F)cc1)N1CC[C@@H](C)[C@@H](O)C1 COC(=O)[*:1] C[C@@H]1CCN(C[C@@H]1O)[C@@H](c1ccc(F)cc1)[*:1]
CC[C@@H](NC(=O)NCC1(O)CCCCC1)c1c(C)nn(C)c1C OC1(CCCCC1)[*:1] CC[C@@H](NC(=O)NC[*:1])c1c(C)nn(C)c1C
CCCS(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c1 c1c[nH]c(c1)[*:1] CCCS(=O)(=O)[N-]c1cccc(c1)C(=O)N1CCC[C@H]1[*:1]
CCCS(=O)(=O)[N-]c1cccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c1 CCC[*:1] O=C(c1cccc(c1)[N-]S(=O)(=O)[*:1])N1CCC[C@@H]1c1ccc[nH]1
COc1cccc(CS(=O)(=O)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 COc1cccc(c1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)CS(=O)(=O)C[*:1])[C@@H]1C
Cc1ccccc1C(=O)N1CCC([C@H](NC(=O)c2cccs2)C(=O)N2CCCCC2)CC1 Cc1ccccc1[*:1] O=C(N[C@H](C(=O)N1CCCCC1)C1CCN(CC1)C(=O)[*:1])c1cccs1
Cc1ccccc1C(=O)N1CCC([C@H](NC(=O)c2cccs2)C(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] Cc1ccccc1C(=O)N1CCC(CC1)[C@H](NC(=O)c1cccs1)[*:1]
Cc1ccccc1C(=O)N1CCC([C@H](NC(=O)c2cccs2)C(=O)N2CCCCC2)CC1 O=C(N[*:1])c1cccs1 Cc1ccccc1C(=O)N1CCC(CC1)[C@H](C(=O)N1CCCCC1)[*:1]
Cc1ccccc1C(=O)N1CCC([C@H](NC(=O)c2cccs2)C(=O)N2CCCCC2)CC1 c1csc(c1)[*:1] Cc1ccccc1C(=O)N1CCC(CC1)[C@H](NC(=O)[*:1])C(=O)N1CCCCC1
C[C@@H](NC(=O)COc1ccccc1C#N)c1nc2ccccc2[nH]1 N#Cc1ccccc1[*:1] C[C@@H](NC(=O)CO[*:1])c1nc2ccccc2[nH]1
O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC[C@H]1[*:1]
O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC[C@@H]1c1cccs1 Fc1ccc(c(Cl)c1)[*:1] O=C(c1coc(CO[*:1])n1)N1CC[C@@H]1c1cccs1
CN(C)S(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)N(CC(=O)Nc1cccnc1)[*:1]
CN(C)S(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccccc1 c1cncc(c1)[*:1] CN(C)S(=O)(=O)N(CC(=O)N[*:1])c1ccccc1
C[C@@H](NC(=O)C[NH2+]C1(C(N)=O)CCCC1)c1ccco1 NC(=O)[*:1] C[C@@H](NC(=O)C[NH2+]C1(CCCC1)[*:1])c1ccco1
C[C@@H](NC(=O)C[NH2+]C1(C(N)=O)CCCC1)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)C[NH2+]C1(CCCC1)C(N)=O)[*:1]
COC[C@H](C)OC(=O)c1cc(S(N)(=O)=O)c(C)cc1F NS(=O)(=O)[*:1] COC[C@H](C)OC(=O)c1cc(c(C)cc1F)[*:1]
COC[C@H](C)OC(=O)c1cc(S(N)(=O)=O)c(C)cc1F COC[C@H](C)[*:1] Cc1cc(F)c(cc1S(N)(=O)=O)C(=O)O[*:1]
COC[C@H](C)OC(=O)c1cc(S(N)(=O)=O)c(C)cc1F COC[*:1] Cc1cc(F)c(cc1S(N)(=O)=O)C(=O)O[C@@H](C)[*:1]
CCOC(=O)C1=NN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@](C)(C(=O)[O-])C1 O=[N+]([O-])[*:1] CCOC(=O)C1C[C@](C)(C(=O)[O-])N(N=1)c1ccc(Cl)cc1[*:1]
CCOC(=O)C1=NN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@](C)(C(=O)[O-])C1 O=C([O-])[*:1] CCOC(=O)C1C[C@](C)(N(N=1)c1ccc(Cl)cc1[N+](=O)[O-])[*:1]
CCOc1ccc(NC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)cc1 CCO[*:1] Cc1noc(CNC(=O)C2CCN(CC2)C(=O)Nc2ccc(cc2)[*:1])n1
CCOc1ccc(NC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)cc1 Cc1noc(n1)[*:1] CCOc1ccc(cc1)NC(=O)N1CCC(CC1)C(=O)NC[*:1]
CCOc1ccc(NC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1noc(CNC(=O)C2CCN(CC2)C(=O)N[*:1])n1
CCOc1ccc(NC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)cc1 Cc1noc(C[*:1])n1 CCOc1ccc(cc1)NC(=O)N1CCC(CC1)C(=O)N[*:1]
COc1cccc(CN(C(=O)c2cc(=O)[nH]c3ccccc23)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)CN(C(=O)c1cc(=O)[nH]c2ccccc12)[*:1]
COc1cccc(CN(C(=O)c2cc(=O)[nH]c3ccccc23)C2CC2)c1 COc1cccc(c1)[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N(C[*:1])C1CC1
Cc1ccc2c(c1)N(C(=O)COC(=O)c1ccc(Cl)cc1)CCO2 Clc1ccc(cc1)[*:1] Cc1ccc2OCCN(C(=O)COC(=O)[*:1])c2c1
Cc1cc(F)ccc1CCNC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C Cc1cc(F)ccc1[*:1] CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)NCC[*:1]
Cc1cc(F)ccc1CCNC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C CC(C)(C)[*:1] Cc1cc(F)ccc1CCNC(=O)NC[C@H]1CCO[C@H]1[*:1]
Cc1cccc(N2C[C@H](c3nnc(NC(=O)COc4ccccc4)s3)CC2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N1C[C@@H](CC1=O)c1nnc(NC(=O)CO[*:1])s1
Cc1cccc(N2C[C@H](c3nnc(NC(=O)COc4ccccc4)s3)CC2=O)c1 c1ccc(cc1)O[*:1] Cc1cccc(c1)N1C[C@@H](CC1=O)c1nnc(NC(=O)C[*:1])s1
Cc1cccc(N2C[C@H](c3nnc(NC(=O)COc4ccccc4)s3)CC2=O)c1 Cc1cccc(c1)[*:1] O=C(COc1ccccc1)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(N2C[C@H](c3nnc(NC(=O)COc4ccccc4)s3)CC2=O)c1 c1ccc(cc1)OC[*:1] Cc1cccc(c1)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])s1
C#CCN(CC(=O)[O-])C(=O)CSc1nncn1C(C)C C#CC[*:1] CC(C)n1cnnc1SCC(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)CSc1nncn1C(C)C O=C([O-])C[*:1] C#CCN(C(=O)CSc1nncn1C(C)C)[*:1]
C#CCN(CC(=O)[O-])C(=O)CSc1nncn1C(C)C O=C([O-])[*:1] C#CCN(C[*:1])C(=O)CSc1nncn1C(C)C
C#CCN(CC(=O)[O-])C(=O)CSc1nncn1C(C)C CC(C)[*:1] C#CCN(CC(=O)[O-])C(=O)CSc1nncn1[*:1]
CC(C)(C)CCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC(C)(C)CCC(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)(C)CCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 CC(C)(C)[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)c1ccc(Cl)cc1
CC(C)(C)CCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 CC(C)(C)CC[*:1] O=C(c1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
CC(C)(C)CCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 CC(C)(C)C[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccc(Cl)cc1
COCc1ccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1 COC[*:1] C[C@@H](N1CC[NH+](CC1)Cc1ccc(cc1)[*:1])C(F)(F)F
COCc1ccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1 FC(F)(F)[*:1] COCc1ccc(cc1)C[NH+]1CCN(CC1)[C@H](C)[*:1]
COCc1ccc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cc1 C[C@H](C(F)(F)F)[*:1] COCc1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OC[NH+](CCC(C)C)C1 CC(C)C[*:1] CC(=O)c1c(C)oc2c1c1C[NH+](COc1c1ccccc12)C[*:1]
CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OC[NH+](CCC(C)C)C1 CC(C)[*:1] CC(=O)c1c(C)oc2c1c1C[NH+](CC[*:1])COc1c1ccccc12
CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OC[NH+](CCC(C)C)C1 CC(C)CC[*:1] CC(=O)c1c(C)oc2c1c1C[NH+](COc1c1ccccc12)[*:1]
CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OC[NH+](CCC(C)C)C1 CC(=O)[*:1] Cc1oc2c(c3C[NH+](CCC(C)C)COc3c3ccccc32)c1[*:1]
CCCc1nc(COc2c(F)cc(C=O)cc2F)cs1 CCC[*:1] O=Cc1cc(F)c(OCc2csc(n2)[*:1])c(F)c1
COC(=O)c1cccc(Nc2nc(N)c(C(=O)CC(C)C)s2)c1 CC(C)C[*:1] COC(=O)c1cccc(c1)Nc1nc(N)c(s1)C(=O)[*:1]
COC(=O)c1cccc(Nc2nc(N)c(C(=O)CC(C)C)s2)c1 COC(=O)[*:1] CC(C)CC(=O)c1sc(nc1N)Nc1cccc(c1)[*:1]
COC(=O)c1cccc(Nc2nc(N)c(C(=O)CC(C)C)s2)c1 CC(C)[*:1] COC(=O)c1cccc(c1)Nc1nc(N)c(s1)C(=O)C[*:1]
COC(=O)c1cccc(Nc2nc(N)c(C(=O)CC(C)C)s2)c1 CC(C)CC(=O)[*:1] COC(=O)c1cccc(c1)Nc1nc(N)c(s1)[*:1]
[O-]c1cc(C(F)(F)F)nc2n[nH]c(-c3cccs3)c12 FC(F)(F)[*:1] [O-]c1cc(nc2n[nH]c(-c3cccs3)c12)[*:1]
[O-]c1cc(C(F)(F)F)nc2n[nH]c(-c3cccs3)c12 c1csc(c1)[*:1] [O-]c1cc(nc2n[nH]c(c12)[*:1])C(F)(F)F
O=C(c1ccc(-n2cccn2)cc1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccccn1 c1cnn(c1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccccn1
O=C(c1ccc(-n2cccn2)cc1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccccn1 c1ccc(nc1)[*:1] O=C(c1ccc(cc1)-n1cccn1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1[*:1]
CCCc1cc(=O)n(CC(=O)N(C)c2ccccc2)cn1 c1ccc(cc1)[*:1] CCCc1cc(=O)n(cn1)CC(=O)N(C)[*:1]
CCCc1cc(=O)n(CC(=O)N(C)c2ccccc2)cn1 CCC[*:1] CN(C(=O)Cn1cnc(cc1=O)[*:1])c1ccccc1
COc1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc(OC)c1 O=C([O-])[*:1] COc1cc(cc(c1)OC)[N-]S(=O)(=O)c1cc(C)c(s1)[*:1]
OCCCN1CCCc2cc(F)cc(F)c21 OCCC[*:1] Fc1cc(F)c2c(c1)CCCN2[*:1]
OCCCN1CCCc2cc(F)cc(F)c21 OCC[*:1] Fc1cc(F)c2c(c1)CCCN2C[*:1]
CCc1c(C[NH2+]CC(C)C)cnn1-c1ccccc1Br CC(C)[*:1] CCc1c(cnn1-c1ccccc1Br)C[NH2+]C[*:1]
CCc1c(C[NH2+]CC(C)C)cnn1-c1ccccc1Br CC(C)C[*:1] CCc1c(cnn1-c1ccccc1Br)C[NH2+][*:1]
Cc1csc(NC(=O)N(C)CCCOc2ccc(F)cc2)n1 Cc1csc(n1)[*:1] CN(CCCOc1ccc(F)cc1)C(=O)N[*:1]
Cc1csc(NC(=O)N(C)CCCOc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)N(C)CCCO[*:1]
CCSCCC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 CCS[*:1] O=C(CC[*:1])NC1CCN(CC1)S(=O)(=O)C(F)(F)F
CCSCCC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 CCSCC[*:1] O=C(NC1CCN(CC1)S(=O)(=O)C(F)(F)F)[*:1]
CCSCCC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 CCSC[*:1] O=C(C[*:1])NC1CCN(CC1)S(=O)(=O)C(F)(F)F
CCSCCC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 FC(F)(F)[*:1] CCSCCC(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
CN(C)c1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C)c1ncnc(NCc2ccc(Cl)cc2)c1[*:1]
CN(C)c1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] Clc1ccc(cc1)[*:1] CN(C)c1ncnc(NC[*:1])c1[N+](=O)[O-]
CN(C)c1ncnc(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] CN(C)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NCc1ccc(Cl)cc1
Cc1ccc([C@@H](CNC(=O)C[C@@H]2C=CCC2)[NH+]2CCCC2)o1 Cc1ccc(o1)[*:1] O=C(C[C@@H]1C=CCC1)NC[C@@H]([NH+]1CCCC1)[*:1]
CCc1nncn1CCNC(=O)NC[C@@H](O)c1ccccc1F CCc1nncn1[*:1] O=C(NCC[*:1])NC[C@@H](O)c1ccccc1F
CCc1nncn1CCNC(=O)NC[C@@H](O)c1ccccc1F Fc1ccccc1[*:1] CCc1nncn1CCNC(=O)NC[C@@H](O)[*:1]
Cc1cnc(CCNC(=O)c2[nH]nc(C3CC3)c2Cl)s1 C1CC1[*:1] Cc1cnc(CCNC(=O)c2[nH]nc(c2Cl)[*:1])s1
Cc1cnc(CCNC(=O)c2[nH]nc(C3CC3)c2Cl)s1 Cc1cnc(s1)[*:1] O=C(NCC[*:1])c1[nH]nc(c1Cl)C1CC1
CC(C)/C(=C\c1cccc(C2CC2)c1)CO C1CC1[*:1] CC(C)/C(=C\c1cccc(c1)[*:1])CO
CC(C)/C(=C\c1cccc(C2CC2)c1)CO CC(C)[*:1] OC/C(=C/c1cccc(c1)C1CC1)[*:1]
CC(=O)c1ccc(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1c(C)n(-c2ccc(F)c(F)c2)c2ncnc(N[*:1])c12
CC(=O)c1ccc(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] CC(=O)c1ccc(cc1)Nc1ncnc2c1c(C)c(C)n2[*:1]
CC(=O)c1ccc(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)cc1 CC(=O)[*:1] Cc1c(C)n(-c2ccc(F)c(F)c2)c2ncnc(Nc3ccc(cc3)[*:1])c12
Cc1ccc(C(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)cc1F Cc1ccc(cc1F)[*:1] CC(C)CS(=O)(=O)c1nc2ccc(cc2s1)NC(=O)[*:1]
Cc1ccc(C(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)cc1F CC(C)CS(=O)(=O)[*:1] Cc1ccc(cc1F)C(=O)Nc1ccc2nc(sc2c1)[*:1]
Cc1ccc(C(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)cc1F CC(C)[*:1] Cc1ccc(cc1F)C(=O)Nc1ccc2nc(sc2c1)S(=O)(=O)C[*:1]
Cc1ccc(C(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)cc1F CC(C)C[*:1] Cc1ccc(cc1F)C(=O)Nc1ccc2nc(sc2c1)S(=O)(=O)[*:1]
COC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 COC(=O)N(C)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc2CCCCc2c1
CN(C(=O)CN1CCO[C@H](CO)C1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CN1CCO[C@H](CO)C1)[*:1]
O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CCCN(c2nc3ccc(F)cc3s2)C1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nc2ccc(F)cc2s1
COc1cccc(N2C(=O)N=C(O)[C@@H](/C=[NH+]/Cc3ccc4c(c3)OCO4)C2=O)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)N1C(=O)N=C(O)[C@@H](/C=[NH+]/C[*:1])C1=O
COc1cccc(N2C(=O)N=C(O)[C@@H](/C=[NH+]/Cc3ccc4c(c3)OCO4)C2=O)c1 COc1cccc(c1)[*:1] O=C1N=C(O)[C@@H](/C=[NH+]/Cc2ccc3OCOc3c2)C(=O)N1[*:1]
CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(OCC(C)C)c1 CCC[*:1] CC(C)COc1cccc(c1)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(OCC(C)C)c1 CC(C)CO[*:1] CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(c1)[*:1]
CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(OCC(C)C)c1 CC(C)[*:1] CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(c1)OC[*:1]
CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(OCC(C)C)c1 CC(C)C[*:1] CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(c1)O[*:1]
CC(C)n1c(Sc2ccc(S(N)(=O)=O)c(N)c2)n[nH]c1=O CC(C)[*:1] Nc1cc(ccc1S(N)(=O)=O)Sc1n[nH]c(=O)n1[*:1]
CC(C)n1c(Sc2ccc(S(N)(=O)=O)c(N)c2)n[nH]c1=O NS(=O)(=O)[*:1] CC(C)n1c(n[nH]c1=O)Sc1ccc(c(N)c1)[*:1]
Cc1nsc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)n1 Cc1nsc(n1)[*:1] O=C(N[*:1])N1CCC[C@@H](C1)c1nc2ccccc2o1
Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N(C)Cc1ccc(Cl)cc1
Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2)cnn1-c1ccncc1 Clc1ccc(cc1)C[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N(C)[*:1]
Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2)cnn1-c1ccncc1 Clc1ccc(cc1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N(C)C[*:1]
CCCc1cc(NCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)n(C)n1 CCC[*:1] Cn1nc(cc1NCc1cccc2CCN(C(=O)OC(C)(C)C)c21)[*:1]
CCCc1cc(NCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)n(C)n1 CC(C)(C)[*:1] CCCc1cc(NCc2cccc3CCN(C(=O)O[*:1])c32)n(C)n1
CCCc1cc(NCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)n(C)n1 CCCc1cc(n(C)n1)[*:1] CC(C)(C)OC(=O)N1CCc2cccc(CN[*:1])c21
CCN(C)S(=O)(=O)N(CC(N)=O)Cc1ccccc1 NC(=O)[*:1] CCN(C)S(=O)(=O)N(Cc1ccccc1)C[*:1]
CCN(C)S(=O)(=O)N(CC(N)=O)Cc1ccccc1 NC(=O)C[*:1] CCN(C)S(=O)(=O)N(Cc1ccccc1)[*:1]
CCN(C)S(=O)(=O)N(CC(N)=O)Cc1ccccc1 c1ccc(cc1)[*:1] CCN(C)S(=O)(=O)N(CC(N)=O)C[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(SCC(C)(C)O)n1 CC(C)(O)[*:1] COc1ccc(Cl)cc1-c1n[nH]c(n1)SC[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(SCC(C)(C)O)n1 CC(C)(O)CS[*:1] COc1ccc(Cl)cc1-c1n[nH]c(n1)[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(SCC(C)(C)O)n1 CC(C)(O)C[*:1] COc1ccc(Cl)cc1-c1n[nH]c(n1)S[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(c3nncn3C(C)C)CC2)c1 C=CC[*:1] CC(C)n1cnnc1C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(c3nncn3C(C)C)CC2)c1 CC(C)[*:1] C=CCNC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)c1nncn1[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(c3nncn3C(C)C)CC2)c1 C=CCNC(=O)[*:1] CC(C)n1cnnc1C1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(c3nncn3C(C)C)CC2)c1 CC(C)n1cnnc1[*:1] C=CCNC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccc2ncc(C(=O)NC[C@H](C)N3CCOCC3)n2c1 C1CN(CCO1)[*:1] Cc1ccc2ncc(C(=O)NC[C@H](C)[*:1])n2c1
CCc1nc(-c2cc(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)ccc2OC)no1 Clc1ccc(cc1)[*:1] CCc1nc(no1)-c1cc(ccc1OC)S(=O)(=O)N(C)C[*:1]
CCc1nc(-c2cc(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)ccc2OC)no1 CCc1nc(no1)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N(C)Cc1ccc(Cl)cc1
CCc1nc(-c2cc(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)ccc2OC)no1 Clc1ccc(cc1)C[*:1] CCc1nc(no1)-c1cc(ccc1OC)S(=O)(=O)N(C)[*:1]
CCCCc1noc([C@H]2NCCc3ccccc32)n1 CCC[*:1] c1ccc2c(c1)CCN[C@@H]2c1nc(C[*:1])no1
CCCCc1noc([C@H]2NCCc3ccccc32)n1 CCCC[*:1] c1ccc2c(c1)CCN[C@@H]2c1nc(no1)[*:1]
Cc1nn(C)c(=O)c(C(=O)NCCCOCC2CCOCC2)c1C C1CC(CCO1)C[*:1] Cc1nn(C)c(=O)c(C(=O)NCCCO[*:1])c1C
Cc1nn(C)c(=O)c(C(=O)NCCCOCC2CCOCC2)c1C C1CC(CCO1)[*:1] Cc1nn(C)c(=O)c(C(=O)NCCCOC[*:1])c1C
Cc1nn(C)c(=O)c(C(=O)NCCCOCC2CCOCC2)c1C C1CC(CCO1)CO[*:1] Cc1nn(C)c(=O)c(C(=O)NCCC[*:1])c1C
COc1ccc(-c2cc(N3CCN(C(=O)[C@H](C)Oc4ccccc4F)CC3)ncn2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-c1cc(ncn1)N1CCN(CC1)C(=O)[C@H](C)O[*:1]
COc1ccc(-c2cc(N3CCN(C(=O)[C@H](C)Oc4ccccc4F)CC3)ncn2)cc1 COc1ccc(cc1)[*:1] C[C@H](Oc1ccccc1F)C(=O)N1CCN(CC1)c1cc(ncn1)[*:1]
COc1ccc(-c2cc(N3CCN(C(=O)[C@H](C)Oc4ccccc4F)CC3)ncn2)cc1 Fc1ccccc1O[*:1] COc1ccc(cc1)-c1cc(ncn1)N1CCN(CC1)C(=O)[C@H](C)[*:1]
Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)c1 Cc1ccc(F)c(c1)[*:1] O=C(N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)C(=O)N[*:1]
COc1cccc(-c2cc(C3(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)no2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1cc(no1)C1(CC1)C(=O)NC1CC[NH+](CC1)C[*:1]
COc1cccc(-c2cc(C3(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)no2)c1 COc1cccc(c1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)C1(CC1)c1cc(on1)[*:1]
COc1cccc(-c2cc(C3(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)no2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)-c1cc(no1)C1(CC1)C(=O)NC1CC[NH+](CC1)[*:1]
C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@H](O)c4ccc5c(c4)CCO5)cc1c32 c1cc2OCCc2cc1[*:1] C[C@@H]1C(=O)N2CCCc3cc(cc1c32)NC(=O)C(=O)NC[C@H](O)[*:1]
CCCCN(c1nc2nc(C)c(Cl)c(C)n2n1)S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCCN(c1nc2nc(C)c(Cl)c(C)n2n1)S(=O)(=O)[*:1]
CCCCN(c1nc2nc(C)c(Cl)c(C)n2n1)S(=O)(=O)c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1nc2nc(C)c(Cl)c(C)n2n1
CCCCN(c1nc2nc(C)c(Cl)c(C)n2n1)S(=O)(=O)c1ccc(C)cc1 CCCC[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1nc2nc(C)c(Cl)c(C)n2n1)[*:1]
CC[NH+](CC)C[C@@H]1CCN(c2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)C1 O=[N+]([O-])c1cccc(c1)[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)c1cc(C)nc(n1)[*:1]
CC[NH+](CC)C[C@@H]1CCN(c2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)C1 O=[N+]([O-])[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)c1cc(C)nc(n1)-c1cccc(c1)[*:1]
C[S@](=O)c1ccc(CN2CCN(C3=[NH+]CC(C)(C)S3)CC2)cc1 C[S@](=O)[*:1] CC1(C)C[NH+]=C(S1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)N1CCC1 O=C(N1CCC1)[*:1] C(=C[*:1])c1cn(nc1-c1cc2ccccc2o1)-c1ccccc1
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)N1CCC1 c1ccc(cc1)[*:1] O=C(/C=C/c1cn(nc1-c1cc2ccccc2o1)[*:1])N1CCC1
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)N1CCC1 c1ccc2oc(cc2c1)[*:1] O=C(/C=C/c1cn(nc1[*:1])-c1ccccc1)N1CCC1
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)N1CCC1 O=C(C=C[*:1])N1CCC1 c1ccc(cc1)-n1cc(c(n1)-c1cc2ccccc2o1)[*:1]
C[C@@H]([NH2+]Cc1ccsc1)c1ccc2c(c1)OCO2 c1cc(cs1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc2OCOc2c1
C[C@@H]([NH2+]Cc1ccsc1)c1ccc2c(c1)OCO2 c1cc(cs1)C[*:1] C[C@@H]([NH2+][*:1])c1ccc2OCOc2c1
COCCNC(=O)CN(C)c1nc2ccccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] COCCNC(=O)CN(C)c1nc2ccccn2c1[*:1]
COCCNC(=O)CN(C)c1nc2ccccn2c1[N+](=O)[O-] COC[*:1] CN(CC(=O)NC[*:1])c1nc2ccccn2c1[N+](=O)[O-]
COCCNC(=O)CN(C)c1nc2ccccn2c1[N+](=O)[O-] COCCNC(=O)[*:1] CN(C[*:1])c1nc2ccccn2c1[N+](=O)[O-]
COCCNC(=O)CN(C)c1nc2ccccn2c1[N+](=O)[O-] COCC[*:1] CN(CC(=O)N[*:1])c1nc2ccccn2c1[N+](=O)[O-]
C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 Clc1cccc(c1)O[*:1] C[C@H](C(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)NC[C@H]1CCCN(C1)c1ncccn1
C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCCN(C1)[*:1]
C[C@H](NC(=O)Nc1ccc(Oc2cccnc2)nc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)Nc1ccc(nc1)Oc1cccnc1)[*:1]
C[C@H](NC(=O)Nc1ccc(Oc2cccnc2)nc1)[C@H]1CCCO1 c1cncc(c1)O[*:1] C[C@H](NC(=O)Nc1ccc(nc1)[*:1])[C@H]1CCCO1
C[C@H](NC(=O)Nc1ccc(Oc2cccnc2)nc1)[C@H]1CCCO1 c1cncc(c1)[*:1] C[C@H](NC(=O)Nc1ccc(nc1)O[*:1])[C@H]1CCCO1
CC[C@@H](NC(=O)[C@H](C)CC1CCCC1)c1nc(C)cs1 C1CCC(C1)C[*:1] CC[C@@H](NC(=O)[C@H](C)[*:1])c1nc(C)cs1
CC[C@@H](NC(=O)[C@H](C)CC1CCCC1)c1nc(C)cs1 C1CCC(C1)[*:1] CC[C@@H](NC(=O)[C@H](C)C[*:1])c1nc(C)cs1
CC[C@@H](NC(=O)[C@H](C)CC1CCCC1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)[C@H](C)CC1CCCC1)[*:1]
O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1cccc(C(F)(F)F)c1 c1c(nc2SCCn12)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)C(F)(F)F
O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)-c1cn2CCSc2n1)c1cccc(c1)[*:1]
C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1S(=O)(=O)[*:1]
C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1S(=O)(=O)c1ccccc1 NC(=O)[*:1] C[C@@H]1C[C@@H](c2ccccc2N1S(=O)(=O)c1ccccc1)[*:1]
CCN[C@]1(C#N)CCC[C@H](OCCC(C)(C)C)C1 CC(C)(C)CC[*:1] CCN[C@]1(C#N)CCC[C@@H](C1)O[*:1]
CCN[C@]1(C#N)CCC[C@H](OCCC(C)(C)C)C1 CC(C)(C)C[*:1] CCN[C@]1(C#N)CCC[C@@H](C1)OC[*:1]
CCN[C@]1(C#N)CCC[C@H](OCCC(C)(C)C)C1 CCN[*:1] CC(C)(C)CCO[C@H]1CCC[C@@](C#N)(C1)[*:1]
CCN[C@]1(C#N)CCC[C@H](OCCC(C)(C)C)C1 CC(C)(C)[*:1] CCN[C@]1(C#N)CCC[C@@H](C1)OCC[*:1]
Cc1ccccc1C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 Cc1ccccc1[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccccc1C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 O=C(Nc1ccc(Cl)cc1)[*:1] Cc1ccccc1C(=O)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
Cc1ccccc1C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 Clc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N1CCC[C@@H](C1)c1nnc(s1)C(=O)N[*:1]
O=C(Nc1cccc(Cl)c1)N(Cc1cccnc1)C[C@H]1CC=CCC1 Clc1cccc(c1)[*:1] O=C(N[*:1])N(Cc1cccnc1)C[C@H]1CC=CCC1
O=C(Nc1cccc(Cl)c1)N(Cc1cccnc1)C[C@H]1CC=CCC1 c1cncc(c1)C[*:1] O=C(Nc1cccc(Cl)c1)N(C[C@H]1CC=CCC1)[*:1]
O=C(Nc1cccc(Cl)c1)N(Cc1cccnc1)C[C@H]1CC=CCC1 c1cncc(c1)[*:1] O=C(Nc1cccc(Cl)c1)N(C[C@H]1CC=CCC1)C[*:1]
N#Cc1cnc(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nc1N c1ccc(cc1)[*:1] N#Cc1cnc(nc1N)S[C@@H](C(=O)N[*:1])c1ccccc1
N#Cc1cnc(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nc1N c1ccc(cc1)[*:1] N#Cc1cnc(nc1N)S[C@@H](C(=O)Nc1ccccc1)[*:1]
CCOc1ccc2[nH]c(C)c/c(=N\c3cccc(C(=O)[O-])c3)c2c1 O=C([O-])[*:1] CCOc1ccc2[nH]c(C)c/c(=N\c3cccc(c3)[*:1])c2c1
CCOc1ccc2[nH]c(C)c/c(=N\c3cccc(C(=O)[O-])c3)c2c1 CCO[*:1] Cc1c/c(=N\c2cccc(c2)C(=O)[O-])c2cc(ccc2[nH]1)[*:1]
Cc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 Cc1ccccc1[*:1] O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)N[*:1]
Cc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)[*:1]
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCC(F)(F)F)c12 c1ccc(cc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)OCC(F)(F)F)c12)[*:1]
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCC(F)(F)F)c12 O=C(OCC(F)(F)F)[*:1] Cc1nn(C)c2nc(cc(c12)[*:1])-c1ccccc1
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCC(F)(F)F)c12 FC(F)(F)[*:1] Cc1nn(C)c2nc(cc(C(=O)OC[*:1])c12)-c1ccccc1
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCC(F)(F)F)c12 FC(F)(F)C[*:1] Cc1nn(C)c2nc(cc(C(=O)O[*:1])c12)-c1ccccc1
Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1cc(no1)-c1ccccc1
Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OCC(=O)Nc1cc(no1)[*:1]
COc1ccccc1[C@@H]1c2cccn2CCN1C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1[C@@H]1c2cccn2CCN1C(=O)[*:1]
COc1ccccc1[C@@H]1c2cccn2CCN1C(=O)c1cccc(F)c1 COc1ccccc1[*:1] O=C(c1cccc(F)c1)N1CCn2cccc2[C@H]1[*:1]
Cc1ccccc1CN1CCN(CC(=O)N2CCOCC2)C(=O)C1=O O=C(N1CCOCC1)[*:1] Cc1ccccc1CN1CCN(C[*:1])C(=O)C1=O
Cc1ccccc1CN1CCN(CC(=O)N2CCOCC2)C(=O)C1=O Cc1ccccc1C[*:1] O=C(CN1CCN(C(=O)C1=O)[*:1])N1CCOCC1
Cc1ccccc1CN1CCN(CC(=O)N2CCOCC2)C(=O)C1=O Cc1ccccc1[*:1] O=C(CN1CCN(C[*:1])C(=O)C1=O)N1CCOCC1
Cc1ccc(CCNc2ccc(C(=O)Nc3nncs3)cn2)cn1 c1nnc(s1)[*:1] Cc1ccc(cn1)CCNc1ccc(cn1)C(=O)N[*:1]
Cc1ccc(CCNc2ccc(C(=O)Nc3nncs3)cn2)cn1 O=C(Nc1nncs1)[*:1] Cc1ccc(cn1)CCNc1ccc(cn1)[*:1]
Cc1ccc(CCNc2ccc(C(=O)Nc3nncs3)cn2)cn1 Cc1ccc(cn1)C[*:1] O=C(Nc1nncs1)c1ccc(nc1)NC[*:1]
Cc1ccc(CCNc2ccc(C(=O)Nc3nncs3)cn2)cn1 Cc1ccc(cn1)[*:1] O=C(Nc1nncs1)c1ccc(nc1)NCC[*:1]
C[C@H](Nc1ccc(CO)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 OCc1ccc(cc1)[*:1] C[C@H](N[*:1])C(=O)NCCc1ccc2OCCOc2c1
O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2n[nH]c(-c3ccc(-c4ccccc4)cc3)c2C1 c1ccc(cc1)[*:1] O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2n[nH]c(-c3ccc(cc3)[*:1])c2C1
CC1(C)C(=O)N(CC(=O)Nc2cccc(C#N)c2)c2ccccc21 N#Cc1cccc(c1)[*:1] CC1(C)C(=O)N(CC(=O)N[*:1])c2ccccc21
COc1ccc(-c2noc(Cn3nc(-c4ccc(F)cc4)ccc3=O)n2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=c1ccc(nn1Cc1nc(no1)[*:1])-c1ccc(F)cc1
COc1ccc(-c2noc(Cn3nc(-c4ccc(F)cc4)ccc3=O)n2)c(OC)c1 Fc1ccc(cc1)[*:1] COc1ccc(-c2noc(Cn3nc(ccc3=O)[*:1])n2)c(c1)OC
C[C@@H](CNC(=O)Nc1c(F)cccc1Br)Cn1cccn1 c1cnn(c1)[*:1] C[C@@H](CNC(=O)Nc1c(F)cccc1Br)C[*:1]
C[C@@H](CNC(=O)Nc1c(F)cccc1Br)Cn1cccn1 c1cnn(c1)C[*:1] C[C@@H](CNC(=O)Nc1c(F)cccc1Br)[*:1]
CCc1cc(=O)n(CC(=O)NCCc2ccccc2)c(-n2nc(C)cc2C)n1 c1ccc(cc1)C[*:1] CCc1cc(=O)n(CC(=O)NC[*:1])c(n1)-n1nc(C)cc1C
CCc1cc(=O)n(CC(=O)NCCc2ccccc2)c(-n2nc(C)cc2C)n1 c1ccc(cc1)CC[*:1] CCc1cc(=O)n(CC(=O)N[*:1])c(n1)-n1nc(C)cc1C
CCc1cc(=O)n(CC(=O)NCCc2ccccc2)c(-n2nc(C)cc2C)n1 c1ccc(cc1)[*:1] CCc1cc(=O)n(CC(=O)NCC[*:1])c(n1)-n1nc(C)cc1C
CCc1cc(=O)n(CC(=O)NCCc2ccccc2)c(-n2nc(C)cc2C)n1 Cc1cc(C)n(n1)[*:1] CCc1cc(=O)n(CC(=O)NCCc2ccccc2)c(n1)[*:1]
Cn1cc(CCOc2ccc3c(c2)OC2(CCCCC2)CC3=O)cn1 Cn1cc(cn1)[*:1] O=C1CC2(CCCCC2)Oc2cc(ccc21)OCC[*:1]
Cn1cc(CCOc2ccc3c(c2)OC2(CCCCC2)CC3=O)cn1 Cn1cc(cn1)C[*:1] O=C1CC2(CCCCC2)Oc2cc(ccc21)OC[*:1]
Cn1cc(CCOc2ccc3c(c2)OC2(CCCCC2)CC3=O)cn1 Cn1cc(cn1)CC[*:1] O=C1CC2(CCCCC2)Oc2cc(ccc21)O[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 c1cnc2nc(cn2c1)[*:1] CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 CCO[*:1] O=S(=O)(Nc1ccc(cc1)-c1cn2cccnc2n1)c1cc(Br)ccc1[*:1]
FC(F)c1nnc2ccc(Nc3cccc(N4CCCCC4)c3)nn12 C1CCN(CC1)[*:1] FC(F)c1nnc2ccc(nn12)Nc1cccc(c1)[*:1]
FC(F)c1nnc2ccc(Nc3cccc(N4CCCCC4)c3)nn12 FC(F)[*:1] c1cc(cc(c1)N1CCCCC1)Nc1ccc2nnc(n2n1)[*:1]
C[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)N[*:1]
C[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)[*:1]
CSc1nc(C)c(CCC(=O)Oc2ccc(F)cc2)c(=O)[nH]1 Fc1ccc(cc1)[*:1] CSc1nc(C)c(CCC(=O)O[*:1])c(=O)[nH]1
Cc1nn(-c2ccccc2)c(Cl)c1CSCc1ccon1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1CSCc1ccon1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1CSCc1ccon1 c1cc(no1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1CSC[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1CSCc1ccon1 c1cc(CS[*:1])no1 Cc1nn(-c2ccccc2)c(Cl)c1C[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1CSCc1ccon1 c1cc(C[*:1])no1 Cc1nn(-c2ccccc2)c(Cl)c1CS[*:1]
O=C1c2cc(S(=O)(=O)[O-])ccc2CC[C@@H]1S(=O)(=O)[O-] O=S(=O)([O-])[*:1] O=C1c2cc(ccc2CC[C@H]1[*:1])S(=O)(=O)[O-]
O=C1c2cc(S(=O)(=O)[O-])ccc2CC[C@@H]1S(=O)(=O)[O-] O=S(=O)([O-])[*:1] O=C1c2cc(ccc2CC[C@@H]1S(=O)(=O)[O-])[*:1]
CCN(C(=O)CS(=O)(=O)c1nnc(-c2ccccc2)n1C)C1CC1 CCN(C(=O)[*:1])C1CC1 Cn1c(nnc1S(=O)(=O)C[*:1])-c1ccccc1
CCN(C(=O)CS(=O)(=O)c1nnc(-c2ccccc2)n1C)C1CC1 c1ccc(cc1)[*:1] CCN(C(=O)CS(=O)(=O)c1nnc(n1C)[*:1])C1CC1
CCN(C(=O)CS(=O)(=O)c1nnc(-c2ccccc2)n1C)C1CC1 C1CC1[*:1] CCN(C(=O)CS(=O)(=O)c1nnc(-c2ccccc2)n1C)[*:1]
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C(=O)NC)cc2)C1=O CCC[*:1] CNC(=O)c1ccc(cc1)CN1C(=O)N[C@](C[*:1])(C1=O)c1ccc(F)cc1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C(=O)NC)cc2)C1=O CNC(=O)[*:1] CCCC[C@]1(NC(=O)N(Cc2ccc(cc2)[*:1])C1=O)c1ccc(F)cc1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C(=O)NC)cc2)C1=O Fc1ccc(cc1)[*:1] CCCC[C@]1(NC(=O)N(Cc2ccc(cc2)C(=O)NC)C1=O)[*:1]
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C(=O)NC)cc2)C1=O CCCC[*:1] CNC(=O)c1ccc(cc1)CN1C(=O)N[C@@](C1=O)(c1ccc(F)cc1)[*:1]
COCCOC1CCN(C(=O)N[C@H](C)c2ncc(C)s2)CC1 COCC[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N1CCC(CC1)O[*:1]
COCCOC1CCN(C(=O)N[C@H](C)c2ncc(C)s2)CC1 COC[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N1CCC(CC1)OC[*:1]
COCCOC1CCN(C(=O)N[C@H](C)c2ncc(C)s2)CC1 COCCO[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N1CCC(CC1)[*:1]
COCCOC1CCN(C(=O)N[C@H](C)c2ncc(C)s2)CC1 Cc1cnc(s1)[*:1] COCCOC1CCN(CC1)C(=O)N[C@H](C)[*:1]
COc1ccc(F)cc1NC(=O)N1CCC[C@@H](Cn2ccnn2)C1 c1cn(C[*:1])nn1 COc1ccc(F)cc1NC(=O)N1CCC[C@@H](C1)[*:1]
COc1ccc(F)cc1NC(=O)N1CCC[C@@H](Cn2ccnn2)C1 c1cn(nn1)[*:1] COc1ccc(F)cc1NC(=O)N1CCC[C@H](C1)C[*:1]
C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H]([NH2+]CC1(CC1)[C@H](O)c1ccccc1)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(S(N)(=O)=O)cc1 O[C@H](c1ccccc1)[*:1] C[C@@H]([NH2+]CC1(CC1)[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(S(N)(=O)=O)cc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]CC1(CC1)[C@H](O)[*:1])c1ccc(cc1)S(N)(=O)=O
Cc1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2c(C(F)(F)F)cc(=O)oc12 O=[N+]([O-])[*:1] Cc1c(ccc2c(cc(=O)oc12)C(F)(F)F)Oc1ccc(cc1[*:1])[N+](=O)[O-]
Cc1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2c(C(F)(F)F)cc(=O)oc12 FC(F)(F)[*:1] Cc1c(ccc2c(cc(=O)oc12)[*:1])Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Cc1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2c(C(F)(F)F)cc(=O)oc12 O=[N+]([O-])[*:1] Cc1c(ccc2c(cc(=O)oc12)C(F)(F)F)Oc1ccc(cc1[N+](=O)[O-])[*:1]
CCCCc1noc(C[C@@H](C)O)n1 C[C@@H](O)C[*:1] CCCCc1noc(n1)[*:1]
CCCCc1noc(C[C@@H](C)O)n1 CCC[*:1] C[C@@H](O)Cc1nc(C[*:1])no1
CCCCc1noc(C[C@@H](C)O)n1 C[C@@H](O)[*:1] CCCCc1noc(C[*:1])n1
CCCCc1noc(C[C@@H](C)O)n1 CCCC[*:1] C[C@@H](O)Cc1nc(no1)[*:1]
Nc1cc(C(F)(F)F)ccc1CS FC(F)(F)[*:1] Nc1cc(ccc1CS)[*:1]
Cn1c(C(=O)N(CCC(N)=O)c2ccccc2)cc(Cl)c1Cl NC(=O)CC[*:1] Cn1c(cc(Cl)c1Cl)C(=O)N(c1ccccc1)[*:1]
Cn1c(C(=O)N(CCC(N)=O)c2ccccc2)cc(Cl)c1Cl c1ccc(cc1)[*:1] Cn1c(cc(Cl)c1Cl)C(=O)N(CCC(N)=O)[*:1]
Cn1c(C(=O)N(CCC(N)=O)c2ccccc2)cc(Cl)c1Cl NC(=O)C[*:1] Cn1c(cc(Cl)c1Cl)C(=O)N(C[*:1])c1ccccc1
Cn1c(C(=O)N(CCC(N)=O)c2ccccc2)cc(Cl)c1Cl NC(=O)[*:1] Cn1c(cc(Cl)c1Cl)C(=O)N(CC[*:1])c1ccccc1
COc1ccc(CCNC(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)cc1OC c1nc(c2nc[nH]c2n1)[*:1] COc1ccc(cc1OC)CCNC(=O)C1CCN(CC1)[*:1]
COc1ccc(CCNC(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(NCC[*:1])C1CCN(CC1)c1ncnc2[nH]cnc12
Cc1nonc1C[NH+](C)Cc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] Cc1nonc1C[NH+](C)Cc1ccccc1O[*:1]
Cc1nonc1C[NH+](C)Cc1ccccc1Oc1ccccc1 Cc1nonc1[*:1] C[NH+](Cc1ccccc1Oc1ccccc1)C[*:1]
Cc1nonc1C[NH+](C)Cc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] Cc1nonc1C[NH+](C)Cc1ccccc1[*:1]
C[C@H](CNC(=O)[C@H]1CCOC1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@H]1CCOC1)c1nc(no1)[*:1]
C[C@H](CNC(=O)[C@H]1CCOC1)c1nc(-c2ccccc2)no1 C1C[C@@H](CO1)[*:1] C[C@H](CNC(=O)[*:1])c1nc(no1)-c1ccccc1
C[C@@H]1CCc2c(sc3nc(SCC(=O)N4CCOCC4)n(Cc4ccccc4)c(=O)c23)C1 O=C(CS[*:1])N1CCOCC1 C[C@@H]1CCc2c(C1)sc1nc(n(Cc3ccccc3)c(=O)c21)[*:1]
C[C@@H]1CCc2c(sc3nc(SCC(=O)N4CCOCC4)n(Cc4ccccc4)c(=O)c23)C1 c1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(SCC(=O)N3CCOCC3)n(C[*:1])c(=O)c21
C[C@@H]1CCc2c(sc3nc(SCC(=O)N4CCOCC4)n(Cc4ccccc4)c(=O)c23)C1 c1ccc(cc1)C[*:1] C[C@@H]1CCc2c(C1)sc1nc(SCC(=O)N3CCOCC3)n(c(=O)c21)[*:1]
C[C@@H]1CCc2c(sc3nc(SCC(=O)N4CCOCC4)n(Cc4ccccc4)c(=O)c23)C1 O=C(C[*:1])N1CCOCC1 C[C@@H]1CCc2c(C1)sc1nc(S[*:1])n(Cc3ccccc3)c(=O)c21
C[C@@H]1CCc2c(sc3nc(SCC(=O)N4CCOCC4)n(Cc4ccccc4)c(=O)c23)C1 O=C(N1CCOCC1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(SC[*:1])n(Cc3ccccc3)c(=O)c21
CCO[C@H]1C[C@H](N(C)C(=O)C(=O)c2c(C)nn(C)c2C)C1(CC)CC CCO[*:1] CCC1(CC)[C@H](C[C@@H]1[*:1])N(C)C(=O)C(=O)c1c(C)nn(C)c1C
CCO[C@H]1C[C@H](N(C)C(=O)C(=O)c2c(C)nn(C)c2C)C1(CC)CC Cc1nn(C)c(C)c1[*:1] CCO[C@H]1C[C@H](N(C)C(=O)C(=O)[*:1])C1(CC)CC
Cc1nonc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 Cc1nonc1[*:1] O=C(Nc1ccc(F)c(c1)S(=O)(=O)N1CCOCC1)[*:1]
CNC(=O)NCC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNC(=O)NCC(=O)N1CCC[C@H]1C[*:1]
CNC(=O)NCC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 CNC(=O)NC[*:1] Cc1ccc(cc1)C[C@@H]1CCCN1C(=O)[*:1]
CNC(=O)NCC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 CNC(=O)N[*:1] Cc1ccc(cc1)C[C@@H]1CCCN1C(=O)C[*:1]
CN1C(=O)Cc2cc(C(=O)CSc3nc(C4CC4)n(-c4ccccc4)n3)ccc21 C1CC1[*:1] CN1C(=O)Cc2cc(ccc21)C(=O)CSc1nc(n(n1)-c1ccccc1)[*:1]
CN1C(=O)Cc2cc(C(=O)CSc3nc(C4CC4)n(-c4ccccc4)n3)ccc21 c1ccc(cc1)[*:1] CN1C(=O)Cc2cc(ccc21)C(=O)CSc1nc(C2CC2)n(n1)[*:1]
C[NH2+]Cc1cn(C[C@H]2O[C@@H](CC(=O)NC3CC3)[C@H](O)[C@@H]2O)nn1 O=C(NC1CC1)[*:1] C[NH2+]Cc1cn(C[C@H]2O[C@@H](C[*:1])[C@H](O)[C@@H]2O)nn1
C[NH2+]Cc1cn(C[C@H]2O[C@@H](CC(=O)NC3CC3)[C@H](O)[C@@H]2O)nn1 C1CC1[*:1] C[NH2+]Cc1cn(C[C@H]2O[C@@H](CC(=O)N[*:1])[C@H](O)[C@@H]2O)nn1
C[NH2+]Cc1cn(C[C@H]2O[C@@H](CC(=O)NC3CC3)[C@H](O)[C@@H]2O)nn1 O=C(C[*:1])NC1CC1 C[NH2+]Cc1cn(C[C@H]2O[C@@H]([C@H](O)[C@@H]2O)[*:1])nn1
CNC(=O)c1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 CNC(=O)[*:1] O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(cc1)[*:1]
CNC(=O)c1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 O=C(N[*:1])c1ccccc1 CNC(=O)c1ccc(cc1)NC(=O)C[C@H](c1ccccc1)[*:1]
CNC(=O)c1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)C[C@H](NC(=O)c1ccccc1)[*:1]
CNC(=O)c1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)C[C@H](NC(=O)[*:1])c1ccccc1
CNC(=O)c1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 CNC(=O)c1ccc(cc1)[*:1] O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[*:1]
C=CCOC(=O)c1sc2nc(-c3ccccc3)c(NC(=O)c3ccco3)n2c1C C=CC[*:1] Cc1c(sc2nc(-c3ccccc3)c(NC(=O)c3ccco3)n12)C(=O)O[*:1]
C=CCOC(=O)c1sc2nc(-c3ccccc3)c(NC(=O)c3ccco3)n2c1C c1coc(c1)[*:1] C=CCOC(=O)c1sc2nc(-c3ccccc3)c(NC(=O)[*:1])n2c1C
C=CCOC(=O)c1sc2nc(-c3ccccc3)c(NC(=O)c3ccco3)n2c1C O=C(N[*:1])c1ccco1 C=CCOC(=O)c1sc2nc(-c3ccccc3)c(n2c1C)[*:1]
C=CCOC(=O)c1sc2nc(-c3ccccc3)c(NC(=O)c3ccco3)n2c1C c1ccc(cc1)[*:1] C=CCOC(=O)c1sc2nc(c(NC(=O)c3ccco3)n2c1C)[*:1]
C=CCOC(=O)c1sc2nc(-c3ccccc3)c(NC(=O)c3ccco3)n2c1C C=CCOC(=O)[*:1] Cc1c(sc2nc(-c3ccccc3)c(NC(=O)c3ccco3)n12)[*:1]
O=C(N[C@@H](CO)c1ccco1)c1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(N[C@@H](CO)c1ccco1)c1coc(n1)[*:1]
O=C(N[C@@H](CO)c1ccco1)c1coc(-c2ccccc2)n1 c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1coc(n1)-c1ccccc1
CC(C)Cc1ccc(CC(=O)OC[C@H]2CCC(=O)N2)cc1 CC(C)[*:1] O=C1CC[C@H](COC(=O)Cc2ccc(cc2)C[*:1])N1
CC(C)Cc1ccc(CC(=O)OC[C@H]2CCC(=O)N2)cc1 CC(C)C[*:1] O=C1CC[C@H](COC(=O)Cc2ccc(cc2)[*:1])N1
COCc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2C)no1 COC[*:1] Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(on1)[*:1]
COCc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2C)no1 Cc1ccccc1[*:1] COCc1cc(no1)C(=O)N[C@H](CC(C)C)[*:1]
COCc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2C)no1 CC(C)C[*:1] COCc1cc(no1)C(=O)N[C@H](c1ccccc1C)[*:1]
COCc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2C)no1 CC(C)[*:1] COCc1cc(no1)C(=O)N[C@H](C[*:1])c1ccccc1C
Cc1c(C(=O)NC(C(N)=O)C(N)=O)cnn1-c1ccccc1 NC(=O)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)NC(C(N)=O)[*:1]
Cc1c(C(=O)NC(C(N)=O)C(N)=O)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)NC(C(N)=O)C(N)=O
Cc1c(C(=O)NC(C(N)=O)C(N)=O)cnn1-c1ccccc1 NC(=O)C(C(N)=O)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N[*:1]
Nc1nc(NCc2ccco2)nc(N(c2ccccc2)c2ccccc2)n1 c1coc(c1)C[*:1] Nc1nc(nc(n1)N(c1ccccc1)c1ccccc1)N[*:1]
Nc1nc(NCc2ccco2)nc(N(c2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Nc1nc(nc(n1)N(c1ccccc1)[*:1])NCc1ccco1
Nc1nc(NCc2ccco2)nc(N(c2ccccc2)c2ccccc2)n1 c1coc(c1)CN[*:1] Nc1nc(nc(n1)[*:1])N(c1ccccc1)c1ccccc1
Nc1nc(NCc2ccco2)nc(N(c2ccccc2)c2ccccc2)n1 c1coc(c1)[*:1] Nc1nc(nc(n1)N(c1ccccc1)c1ccccc1)NC[*:1]
CC(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C CC(C)C[*:1] C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][*:1]
CC(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C CC(C)[*:1] C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C[*:1]
CC1(C)CCCN(S(=O)(=O)c2ccc(CC#N)cc2)C1 N#CC[*:1] CC1(C)CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc2nc(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4C)ccc3C)sc2c1 Cc1ccccc1[*:1] COc1ccc2nc(NC(=O)c3cc(ccc3C)S(=O)(=O)N[*:1])sc2c1
CC[C@@H](C(=O)NCc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 O=S(=O)(N1CCCCC1)[*:1] CC[C@@H](C(=O)NCc1ccccc1)n1ccc2cc(ccc21)[*:1]
CC[C@@H](C(=O)NCc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 O=C(NCc1ccccc1)[*:1] CC[C@@H](n1ccc2cc(ccc21)S(=O)(=O)N1CCCCC1)[*:1]
CC[C@@H](C(=O)NCc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 c1ccc(cc1)[*:1] CC[C@@H](C(=O)NC[*:1])n1ccc2cc(ccc21)S(=O)(=O)N1CCCCC1
CC[C@@H](C(=O)NCc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 c1ccc(cc1)C[*:1] CC[C@@H](C(=O)N[*:1])n1ccc2cc(ccc21)S(=O)(=O)N1CCCCC1
CC1(NC(=O)[C@@](C)(N)C(F)(F)F)CCCC1 FC(F)(F)[*:1] CC1(CCCC1)NC(=O)[C@@](C)(N)[*:1]
Cc1c(F)cccc1NC(=O)C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 CC(C)[*:1] Cc1c(F)cccc1NC(=O)C(=O)N1CCC[C@H](C1)NC(=O)[*:1]
Cc1c(F)cccc1NC(=O)C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 CC(C)C(=O)N[*:1] Cc1c(F)cccc1NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1c(F)cccc1NC(=O)C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 Cc1c(F)cccc1[*:1] CC(C)C(=O)N[C@@H]1CCCN(C1)C(=O)C(=O)N[*:1]
Cc1ccc(-n2ncc3c(NCCc4ccccc4)ncnc32)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1ncc2c(ncnc21)NCC[*:1]
Cc1ccc(-n2ncc3c(NCCc4ccccc4)ncnc32)cc1C Cc1ccc(cc1C)[*:1] c1ccc(cc1)CCNc1ncnc2c1cnn2[*:1]
Cc1ccc(-n2ncc3c(NCCc4ccccc4)ncnc32)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)-n1ncc2c(ncnc21)NC[*:1]
Cc1ccc(-n2ncc3c(NCCc4ccccc4)ncnc32)cc1C c1ccc(cc1)CC[*:1] Cc1ccc(cc1C)-n1ncc2c(ncnc21)N[*:1]
O=C([O-])COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 O=[N+]([O-])[*:1] O=C([O-])COc1ccc(/C=N/NC(=O)c2cc3cc(ccc3o2)[*:1])cc1
O=C([O-])COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 O=C([O-])CO[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])c1cc2cc(ccc2o1)[N+](=O)[O-]
O=C([O-])COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 O=C([O-])[*:1] O=C(N/N=C/c1ccc(cc1)OC[*:1])c1cc2cc(ccc2o1)[N+](=O)[O-]
O=C([O-])COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 O=C([O-])C[*:1] O=C(N/N=C/c1ccc(cc1)O[*:1])c1cc2cc(ccc2o1)[N+](=O)[O-]
O=C(N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1cc([nH]n1)[*:1]
O=C(N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1cc(C2CC2)[nH]n1 c1c(n[nH]c1C1CC1)[*:1] O=C(N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[*:1]
Cc1ccccc1-n1cc(C(=O)NCCc2ncnn2C)cn1 Cc1ccccc1[*:1] Cn1ncnc1CCNC(=O)c1cnn(c1)[*:1]
Cc1ccccc1-n1cc(C(=O)NCCc2ncnn2C)cn1 Cn1ncnc1[*:1] Cc1ccccc1-n1cc(cn1)C(=O)NCC[*:1]
Cc1ccccc1-n1cc(C(=O)NCCc2ncnn2C)cn1 Cn1ncnc1C[*:1] Cc1ccccc1-n1cc(cn1)C(=O)NC[*:1]
OC[C@@H]1CCO[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)[*:1] OC[C@@H]1CCO[C@H]1c1ccccc1O[*:1]
OC[C@@H]1CCO[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] OC[C@@H]1CCO[C@H]1c1ccccc1[*:1]
Cn1cccc1C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 Cn1cccc1[*:1] O=C(NNC(=O)[*:1])c1ccc(Cl)c(Cl)c1
CC[C@@H](C(=O)NCc1cccnc1)n1cc(C(C)=O)c2ccccc21 c1cncc(c1)[*:1] CC[C@@H](C(=O)NC[*:1])n1cc(C(C)=O)c2ccccc21
CC[C@@H](C(=O)NCc1cccnc1)n1cc(C(C)=O)c2ccccc21 c1cncc(c1)C[*:1] CC[C@@H](C(=O)N[*:1])n1cc(C(C)=O)c2ccccc21
CC[C@@H](C(=O)NCc1cccnc1)n1cc(C(C)=O)c2ccccc21 CC(=O)[*:1] CC[C@@H](C(=O)NCc1cccnc1)n1cc(c2ccccc21)[*:1]
Cc1ccccc1C(=O)NCC(=O)N1CCOC[C@H]1C1CC1 Cc1ccccc1[*:1] O=C(CNC(=O)[*:1])N1CCOC[C@H]1C1CC1
Cc1ccccc1C(=O)NCC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] Cc1ccccc1C(=O)NCC(=O)N1CCOC[C@@H]1[*:1]
CC[C@@H](C)CN(CC)C(=O)N1CC[C@@](CC)(C(=O)[O-])C1 CC[C@@H](C)C[*:1] CCN(C(=O)N1CC[C@](CC)(C1)C(=O)[O-])[*:1]
CC[C@@H](C)CN(CC)C(=O)N1CC[C@@](CC)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H](C)CN(CC)C(=O)N1CC[C@@](CC)(C1)[*:1]
CC[C@@H](C)CN(CC)C(=O)N1CC[C@@](CC)(C(=O)[O-])C1 CC[C@@H](C)[*:1] CCN(C[*:1])C(=O)N1CC[C@](CC)(C1)C(=O)[O-]
CCC[NH+]1CCCn2nc(CNC3CC[NH+](Cc4ccccn4)CC3)cc2C1 CCC[*:1] c1ccc(C[NH+]2CCC(CC2)NCc2cc3C[NH+](CCCn3n2)[*:1])nc1
CCC[NH+]1CCCn2nc(CNC3CC[NH+](Cc4ccccn4)CC3)cc2C1 c1ccc(C[*:1])nc1 CCC[NH+]1CCCn2nc(cc2C1)CNC1CC[NH+](CC1)[*:1]
CCC[NH+]1CCCn2nc(CNC3CC[NH+](Cc4ccccn4)CC3)cc2C1 c1ccc(nc1)[*:1] CCC[NH+]1CCCn2nc(cc2C1)CNC1CC[NH+](CC1)C[*:1]
O=C(NCc1ccnc(OCC(F)F)c1)NC1CCCCCC1 FC(F)[*:1] O=C(NCc1ccnc(c1)OC[*:1])NC1CCCCCC1
O=C(NCc1ccnc(OCC(F)F)c1)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(NCc1ccnc(c1)OCC(F)F)N[*:1]
O=C(NCc1ccnc(OCC(F)F)c1)NC1CCCCCC1 FC(F)C[*:1] O=C(NCc1ccnc(c1)O[*:1])NC1CCCCCC1
O=C(NCc1ccnc(OCC(F)F)c1)NC1CCCCCC1 FC(F)CO[*:1] O=C(NCc1ccnc(c1)[*:1])NC1CCCCCC1
CN(C)C(=O)C[NH+]1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(C)(=O)=O)c2)CC1 CN(C)C(=O)[*:1] CS(=O)(=O)Nc1cc(ccc1N1CC[NH2+]CC1)C(=O)N1CC[NH+](CC1)C[*:1]
CN(C)C(=O)C[NH+]1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(C)(=O)=O)c2)CC1 CN(C)C(=O)C[*:1] CS(=O)(=O)Nc1cc(ccc1N1CC[NH2+]CC1)C(=O)N1CC[NH+](CC1)[*:1]
CN(C)C(=O)C[NH+]1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(C)(=O)=O)c2)CC1 CS(=O)(=O)N[*:1] CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)c1ccc(c(c1)[*:1])N1CC[NH2+]CC1
CCCO[C@@H]1CCCN(C(=O)Cc2ccccc2F)CC1 CCCO[*:1] O=C(Cc1ccccc1F)N1CCC[C@H](CC1)[*:1]
CCCO[C@@H]1CCCN(C(=O)Cc2ccccc2F)CC1 CCC[*:1] O=C(Cc1ccccc1F)N1CCC[C@H](CC1)O[*:1]
CCCO[C@@H]1CCCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1[*:1] CCCO[C@@H]1CCCN(CC1)C(=O)C[*:1]
CC(C)(CO)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 CC(C)(CO)[*:1] CS(=O)(=O)N1CCC[C@@H](C[NH2+][*:1])C1
CCOC(=O)N[C@H](C(=O)Nc1cccc(Cl)c1O)C(C)C CC(C)[*:1] CCOC(=O)N[C@H](C(=O)Nc1cccc(Cl)c1O)[*:1]
CCOC(=O)N[C@H](C(=O)Nc1cccc(Cl)c1O)C(C)C CCOC(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1cccc(Cl)c1O)[*:1]
CON(C)C(=O)CNC1(c2ccc(F)cc2)CCOCC1 CON(C)C(=O)C[*:1] Fc1ccc(cc1)C1(CCOCC1)N[*:1]
CON(C)C(=O)CNC1(c2ccc(F)cc2)CCOCC1 Fc1ccc(cc1)[*:1] CON(C)C(=O)CNC1(CCOCC1)[*:1]
CON(C)C(=O)CNC1(c2ccc(F)cc2)CCOCC1 CON(C)C(=O)[*:1] Fc1ccc(cc1)C1(CCOCC1)NC[*:1]
Cc1sc(NC(=O)[C@@H](C)n2c(=O)cc(C)c3ccccc32)c(C(N)=O)c1C NC(=O)[*:1] Cc1sc(NC(=O)[C@@H](C)n2c(=O)cc(C)c3ccccc32)c(c1C)[*:1]
COc1ccc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])cc1O O=C([O-])[*:1] COc1ccc(cc1O)C(=O)N[C@@H]1CCC[C@@H]1[*:1]
O=[N+]([O-])c1ccc(/C=N/c2ccc(Cl)cc2Cl)o1 O=[N+]([O-])[*:1] Clc1ccc(/N=C/c2ccc(o2)[*:1])c(Cl)c1
COCc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2F)cc1 COC[*:1] O=S(=O)([N-]c1ccc(I)cc1F)c1ccc(cc1)[*:1]
COc1cc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc(OC)c1OC c1coc(c1)C[*:1] COc1cc(cc(OC)c1OC)[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1[*:1]
COc1cc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc(OC)c1OC c1coc(c1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1C[*:1]
Cn1ncc2c(N3CCN(C(=O)CCCn4c(=O)oc5ccccc54)CC3)ncnc21 O=c1oc2ccccc2n1[*:1] Cn1ncc2c(ncnc21)N1CCN(CC1)C(=O)CCC[*:1]
Cn1ncc2c(N3CCN(C(=O)CCCn4c(=O)oc5ccccc54)CC3)ncnc21 Cn1ncc2c(ncnc21)[*:1] O=C(CCCn1c(=O)oc2ccccc21)N1CCN(CC1)[*:1]
COCCN(CCC#N)c1cc(N)cc(S(N)(=O)=O)c1C N#CCC[*:1] COCCN(c1cc(N)cc(c1C)S(N)(=O)=O)[*:1]
COCCN(CCC#N)c1cc(N)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] COCCN(CCC#N)c1cc(N)cc(c1C)[*:1]
COCCN(CCC#N)c1cc(N)cc(S(N)(=O)=O)c1C COC[*:1] Cc1c(cc(N)cc1S(N)(=O)=O)N(CCC#N)C[*:1]
COCCN(CCC#N)c1cc(N)cc(S(N)(=O)=O)c1C N#CC[*:1] COCCN(C[*:1])c1cc(N)cc(c1C)S(N)(=O)=O
COCCN(CCC#N)c1cc(N)cc(S(N)(=O)=O)c1C COCC[*:1] Cc1c(cc(N)cc1S(N)(=O)=O)N(CCC#N)[*:1]
CCC[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)OC COC(=O)[*:1] CCC[C@H](NS(=O)(=O)c1cccc(F)c1C#N)[*:1]
CCC[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)OC CCC[*:1] COC(=O)[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)[*:1]
C=CCc1c(Cl)nc(Cl)nc1Cl C=CC[*:1] Clc1nc(Cl)c(c(Cl)n1)[*:1]
CCCN[C@]1(C#N)CC[C@@H](N2C[C@H](C)OC[C@@H]2CC)C1 CCC[*:1] CC[C@H]1CO[C@@H](C)CN1[C@@H]1CC[C@](C#N)(C1)N[*:1]
CCCN[C@]1(C#N)CC[C@@H](N2C[C@H](C)OC[C@@H]2CC)C1 CCCN[*:1] CC[C@H]1CO[C@@H](C)CN1[C@@H]1CC[C@@](C#N)(C1)[*:1]
C[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(=O)n(C)c1)[*:1]
COc1ccc(N2C[C@H](NC(=O)NCCCO)CC2=O)cc1 OCCC[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)NC(=O)N[*:1]
COc1ccc(N2C[C@H](NC(=O)NCCCO)CC2=O)cc1 OCC[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)NC(=O)NC[*:1]
CCC[NH2+]Cc1ncoc1-c1c(F)cccc1F CCC[*:1] Fc1cccc(F)c1-c1ocnc1C[NH2+][*:1]
COc1cccc(C[C@H](C2CCN(C(=O)[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)N(C)C(=O)c2cccnc2)c1 COc1cccc(c1)[*:1] CN(C(=O)c1cccnc1)[C@H](C[*:1])C1CCN(CC1)C(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2
COc1cccc(C[C@H](C2CCN(C(=O)[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)N(C)C(=O)c2cccnc2)c1 COc1cccc(c1)C[*:1] CN(C(=O)c1cccnc1)[C@@H](C1CCN(CC1)C(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2)[*:1]
COc1cccc(C[C@H](C2CCN(C(=O)[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)N(C)C(=O)c2cccnc2)c1 c1cncc(c1)[*:1] COc1cccc(c1)C[C@H](C1CCN(CC1)C(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2)N(C)C(=O)[*:1]
COc1cccc(C[C@H](C2CCN(C(=O)[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)N(C)C(=O)c2cccnc2)c1 CN(C(=O)c1cccnc1)[*:1] COc1cccc(c1)C[C@H](C1CCN(CC1)C(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2)[*:1]
Cc1ccncc1NC(=O)NCC(C)(C)[C@H](O)C(C)C CC(C)[*:1] Cc1ccncc1NC(=O)NCC(C)(C)[C@H](O)[*:1]
C[C@@H](CO)NC(=O)c1ccc(NCc2cnc(Cl)s2)cc1 Clc1ncc(s1)[*:1] C[C@@H](CO)NC(=O)c1ccc(cc1)NC[*:1]
C[C@@H](CO)NC(=O)c1ccc(NCc2cnc(Cl)s2)cc1 C[C@@H](CO)NC(=O)[*:1] Clc1ncc(CNc2ccc(cc2)[*:1])s1
C[C@@H](CO)NC(=O)c1ccc(NCc2cnc(Cl)s2)cc1 Clc1ncc(C[*:1])s1 C[C@@H](CO)NC(=O)c1ccc(cc1)N[*:1]
C[C@@H](CO)NC(=O)c1ccc(NCc2cnc(Cl)s2)cc1 C[C@@H](CO)[*:1] O=C(N[*:1])c1ccc(cc1)NCc1cnc(Cl)s1
O=C(N[C@H]1CCCc2ccccc21)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 C1CCC(C1)[*:1] O=C(N[C@H]1CCCc2ccccc21)[C@H](N1CCN(CC1)C(=O)c1ccc(Cl)cc1)[*:1]
O=C(N[C@H]1CCCc2ccccc21)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(N[C@H]1CCCc2ccccc21)[C@H](C1CCCC1)N1CCN(CC1)C(=O)[*:1]
CCOC(=O)c1ncoc1-c1ccccc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCOC(=O)c1ncoc1-c1ccccc1C(=O)NC[*:1]
CCOC(=O)c1ncoc1-c1ccccc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CCOC(=O)c1ncoc1-c1ccccc1C(=O)N[*:1]
CCOC(=O)c1ncoc1-c1ccccc1C(=O)NC[C@H]1CCCO1 CCOC(=O)[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1-c1ocnc1[*:1]
Cc1cccc(N/C([O-])=C(\C#N)C(=O)Cc2c(C)nn(CC(C)C)c2C)c1 Cc1cccc(c1)N[*:1] Cc1nn(CC(C)C)c(C)c1CC(=O)/C(C#N)=C(\[O-])[*:1]
Cc1cccc(N/C([O-])=C(\C#N)C(=O)Cc2c(C)nn(CC(C)C)c2C)c1 CC(C)C[*:1] Cc1cccc(c1)N/C([O-])=C(\C#N)C(=O)Cc1c(C)nn(c1C)[*:1]
Cc1cccc(N/C([O-])=C(\C#N)C(=O)Cc2c(C)nn(CC(C)C)c2C)c1 CC(C)[*:1] Cc1cccc(c1)N/C([O-])=C(\C#N)C(=O)Cc1c(C)nn(C[*:1])c1C
Cc1cccc(N/C([O-])=C(\C#N)C(=O)Cc2c(C)nn(CC(C)C)c2C)c1 Cc1cccc(c1)[*:1] Cc1nn(CC(C)C)c(C)c1CC(=O)/C(C#N)=C(\[O-])N[*:1]
C[C@@H](OC(=O)c1cccc(F)c1)C(=O)NCc1ccc2c(c1)OCO2 Fc1cccc(c1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)NCc1ccc2OCOc2c1
O=C(NCCc1cccs1)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 c1csc(c1)C[*:1] O=C(NC[*:1])C1CCN(CC1)c1ccc(F)cc1[N+](=O)[O-]
O=C(NCCc1cccs1)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 c1csc(c1)CC[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(F)cc1[N+](=O)[O-]
O=C(NCCc1cccs1)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(NCCc1cccs1)C1CCN(CC1)c1ccc(F)cc1[*:1]
O=C(NCCc1cccs1)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 c1csc(c1)[*:1] O=C(NCC[*:1])C1CCN(CC1)c1ccc(F)cc1[N+](=O)[O-]
CN(C)c1ccc(F)c(C#N)c1 CN(C)[*:1] N#Cc1cc(ccc1F)[*:1]
COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccccc3c2=O)cc1 O=C(Nc1ccccc1)[*:1] COc1ccc(cc1)S(=O)(=O)c1cn(C[*:1])c2ccccc2c1=O
COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccccc3c2=O)cc1 O=C(C[*:1])Nc1ccccc1 COc1ccc(cc1)S(=O)(=O)c1cn(c2ccccc2c1=O)[*:1]
COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] O=C(Cn1cc(c(=O)c2ccccc21)S(=O)(=O)[*:1])Nc1ccccc1
COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccccc3c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)c1cn(CC(=O)N[*:1])c2ccccc2c1=O
CC[C@@H]([NH2+][C@H](C)CCN1CCOCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@@H]([NH2+][C@H](C)CCN1CCOCC1)[*:1]
CC[C@@H]([NH2+][C@H](C)CCN1CCOCC1)c1ccc(Cl)cc1 C1CN(CCO1)[*:1] CC[C@@H]([NH2+][C@H](C)CC[*:1])c1ccc(Cl)cc1
CC[C@@H]([NH2+][C@H](C)CCN1CCOCC1)c1ccc(Cl)cc1 C1CN(CCO1)C[*:1] CC[C@@H]([NH2+][C@H](C)C[*:1])c1ccc(Cl)cc1
COC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)C1 c1ncn(n1)[*:1] COC(=O)N1CC[C@@H](C1)[NH2+][C@H](C)c1ccc(cc1Cl)[*:1]
Clc1ccc([C@H]2OCC[C@@H]2Nc2ccc3nnc(C4CC4)n3n2)cc1 C1CC1[*:1] Clc1ccc(cc1)[C@H]1OCC[C@@H]1Nc1ccc2nnc(n2n1)[*:1]
Clc1ccc([C@H]2OCC[C@@H]2Nc2ccc3nnc(C4CC4)n3n2)cc1 Clc1ccc(cc1)[*:1] c1cc2nnc(C3CC3)n2nc1N[C@H]1CCO[C@@H]1[*:1]
Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NC(C)C)s1 CC(C)[*:1] Cc1ccccc1NC(=O)c1nnc(CSCC(=O)N[*:1])s1
Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NC(C)C)s1 CC(C)NC(=O)C[*:1] Cc1ccccc1NC(=O)c1nnc(CS[*:1])s1
Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NC(C)C)s1 CC(C)NC(=O)CS[*:1] Cc1ccccc1NC(=O)c1nnc(C[*:1])s1
Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NC(C)C)s1 Cc1ccccc1[*:1] CC(C)NC(=O)CSCc1nnc(s1)C(=O)N[*:1]
Cc1ccccc1NC(=O)c1nnc(CSCC(=O)NC(C)C)s1 CC(C)NC(=O)[*:1] Cc1ccccc1NC(=O)c1nnc(CSC[*:1])s1
COCCc1ncc(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)cn1 COc1ccc(cc1)[*:1] COCCc1ncc(cn1)CN1CCN(CC1)C(=O)[*:1]
COCCc1ncc(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)cn1 COC[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)Cc1cnc(C[*:1])nc1
COCCc1ncc(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)cn1 COCC[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)Cc1cnc(nc1)[*:1]
CC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)C(=O)N[C@H](C)CC[*:1]
CC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] CC(=O)c1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
CC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1 CC(=O)[*:1] C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)NC(=O)C(=O)N[C@H](C)C[*:1]
O=C(CCN1CCCC1=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 O=C1CCCN1C[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)NCc1ccccc1F
O=C(CCN1CCCC1=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 Fc1ccccc1[*:1] O=C(CCN1CCCC1=O)Nc1ccc(cc1)C(=O)NC[*:1]
O=C(CCN1CCCC1=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 Fc1ccccc1C[*:1] O=C(CCN1CCCC1=O)Nc1ccc(cc1)C(=O)N[*:1]
O=C(CCN1CCCC1=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 O=C1CCCN1CC[*:1] O=C(NCc1ccccc1F)c1ccc(cc1)NC(=O)[*:1]
O=C(CCN1CCCC1=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 O=C1CCCN1[*:1] O=C(CC[*:1])Nc1ccc(cc1)C(=O)NCc1ccccc1F
Cc1c[nH+]ccc1N1CCCN(C(=O)COCc2ccccc2)CC1 c1ccc(cc1)CO[*:1] Cc1c[nH+]ccc1N1CCCN(CC1)C(=O)C[*:1]
Cc1c[nH+]ccc1N1CCCN(C(=O)COCc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1c[nH+]ccc1N1CCCN(CC1)C(=O)CO[*:1]
Cc1c[nH+]ccc1N1CCCN(C(=O)COCc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1c[nH+]ccc1N1CCCN(CC1)C(=O)COC[*:1]
O=C(NNC(=O)c1ccc(Cn2cccn2)o1)NC12CC3CC(CC(C3)C1)C2 c1cnn(c1)[*:1] O=C(NNC(=O)c1ccc(C[*:1])o1)NC12CC3CC(CC(C3)C1)C2
O=C(NNC(=O)c1ccc(Cn2cccn2)o1)NC12CC3CC(CC(C3)C1)C2 c1cnn(c1)C[*:1] O=C(NNC(=O)c1ccc(o1)[*:1])NC12CC3CC(CC(C3)C1)C2
COCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1 COCC[*:1] N#C[C@H](C(=O)N[*:1])c1nc2ccccc2nc1N1CCN(CC1)c1ccc(F)cc1
COCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1 COC[*:1] N#C[C@H](C(=O)NC[*:1])c1nc2ccccc2nc1N1CCN(CC1)c1ccc(F)cc1
COCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(CC1)[*:1]
COCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1 COCCNC(=O)[*:1] N#C[C@@H](c1nc2ccccc2nc1N1CCN(CC1)c1ccc(F)cc1)[*:1]
CCC[NH+]1CCN([C@@H](CC)CC(N)=S)CC1 NC(=S)[*:1] CCC[NH+]1CCN(CC1)[C@@H](CC)C[*:1]
CCC[NH+]1CCN([C@@H](CC)CC(N)=S)CC1 CCC[*:1] CC[C@@H](CC(N)=S)N1CC[NH+](CC1)[*:1]
CCC[NH+]1CCN([C@@H](CC)CC(N)=S)CC1 NC(=S)C[*:1] CCC[NH+]1CCN(CC1)[C@@H](CC)[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)c1ccco1 Cc1ccccc1[*:1] O=C(N[C@@H](CO)c1ccco1)[C@H]1C[C@H]1[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)[*:1]
CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)Cc1ccccn1 CC(C)[*:1] O=C(Cc1ccccn1)NNC(=O)N1CCOC[C@H]1C[*:1]
CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)Cc1ccccn1 CC(C)C[*:1] O=C(Cc1ccccn1)NNC(=O)N1CCOC[C@H]1[*:1]
CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)Cc1ccccn1 c1ccc(nc1)[*:1] CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)C[*:1]
CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)Cc1ccccn1 c1ccc(C[*:1])nc1 CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)[*:1]
C[C@@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2CCS(=O)(=O)C2)c1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2CCS(=O)(=O)C2)c1 Cc1cnn(c1)C[*:1] O=C([C@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2CCS(=O)(=O)C2)c1 Cc1cnn(c1)[*:1] O=C([C@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1C[*:1]
Cc1nnsc1C(=O)N(CCC[NH+](C)C)c1nc2c(C)c(Cl)ccc2s1 Cc1nnsc1[*:1] Cc1c(Cl)ccc2sc(nc12)N(CCC[NH+](C)C)C(=O)[*:1]
CC(C)CC[C@@H](C)NC(=O)c1nccnc1N CC(C)C[*:1] C[C@H](C[*:1])NC(=O)c1nccnc1N
CC(C)CC[C@@H](C)NC(=O)c1nccnc1N CC(C)CC[*:1] C[C@@H](NC(=O)c1nccnc1N)[*:1]
CC(C)CC[C@@H](C)NC(=O)c1nccnc1N CC(C)[*:1] C[C@H](CC[*:1])NC(=O)c1nccnc1N
C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H](O)C1CCOCC1 Fc1cccc(c1)[*:1] C[C@H](CC(=O)N[*:1])[NH2+]C[C@H](O)C1CCOCC1
C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H](O)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H](O)[*:1]
CCCC[C@H](COC)NC(=O)c1n[nH]c(=O)[nH]1 CCCC[*:1] COC[C@H](NC(=O)c1n[nH]c(=O)[nH]1)[*:1]
CCCC[C@H](COC)NC(=O)c1n[nH]c(=O)[nH]1 COC[*:1] CCCC[C@H](NC(=O)c1n[nH]c(=O)[nH]1)[*:1]
CCCC[C@H](COC)NC(=O)c1n[nH]c(=O)[nH]1 CCC[*:1] COC[C@@H](C[*:1])NC(=O)c1n[nH]c(=O)[nH]1
Cc1nnc(-c2ccc(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc2)o1 Cc1nnc(o1)[*:1] C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc(cc1)[*:1]
Cc1nnc(-c2ccc(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc2)o1 CC(C)(C)OC(=O)N[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)N(C)[C@@H](C)C[*:1]
Cc1nnc(-c2ccc(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc2)o1 CC(C)(C)[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)N(C)[C@@H](C)CNC(=O)O[*:1]
Cc1nnc(-c2ccc(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc2)o1 CC(C)(C)OC(=O)NC[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)N(C)[C@@H](C)[*:1]
COC(=O)c1ccc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)nn1 COC(=O)[*:1] Clc1ccc(cc1)[C@H]1OCC[C@@H]1Nc1ccc(nn1)[*:1]
COC(=O)c1ccc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)nn1 Clc1ccc(cc1)[*:1] COC(=O)c1ccc(nn1)N[C@H]1CCO[C@H]1[*:1]
C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nc2sc(CC)cc2c1=O C=CC[*:1] CCc1cc2c(=O)n(c(nc2s1)SCc1cc(=O)n2cc(C)ccc2n1)[*:1]
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1cccs1 Fc1ccc(cc1)[*:1] N#C/C(=C\c1cn(C[*:1])c2ccccc12)C(=O)NCc1cccs1
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1cccs1 O=C(NCc1cccs1)[*:1] N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)[*:1]
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1cccs1 c1csc(c1)[*:1] N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NC[*:1]
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1cccs1 Fc1ccc(cc1)C[*:1] N#C/C(=C\c1cn(c2ccccc12)[*:1])C(=O)NCc1cccs1
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1cccs1 c1csc(c1)C[*:1] N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)N[*:1]
O=C(Nc1nnc(C(F)F)s1)N[C@@H](CCO)c1cccs1 FC(F)[*:1] O=C(Nc1nnc(s1)[*:1])N[C@@H](CCO)c1cccs1
O=C(Nc1nnc(C(F)F)s1)N[C@@H](CCO)c1cccs1 c1csc(c1)[*:1] O=C(Nc1nnc(s1)C(F)F)N[C@@H](CCO)[*:1]
O=C(Nc1nnc(C(F)F)s1)N[C@@H](CCO)c1cccs1 OCC[*:1] O=C(Nc1nnc(s1)C(F)F)N[C@@H](c1cccs1)[*:1]
CCc1nnc(CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)o1 CCc1nnc(o1)[*:1] CC(C)C1CCC(CC1)[NH+]1CCN(CC1)C[*:1]
CCc1nnc(CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)o1 CC(C)[*:1] CCc1nnc(CN2CC[NH+](CC2)C2CCC(CC2)[*:1])o1
CC[C@](C)([NH3+])C(=O)N(CCC#N)CCN1CCOCC1 N#CCC[*:1] CC[C@](C)([NH3+])C(=O)N(CCN1CCOCC1)[*:1]
CC[C@](C)([NH3+])C(=O)N(CCC#N)CCN1CCOCC1 C1CN(CCO1)[*:1] CC[C@](C)([NH3+])C(=O)N(CCC#N)CC[*:1]
CC[C@](C)([NH3+])C(=O)N(CCC#N)CCN1CCOCC1 N#CC[*:1] CC[C@](C)([NH3+])C(=O)N(CCN1CCOCC1)C[*:1]
C[C@@H]1CCC[C@@H](CCNC(=O)c2ncccc2C(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H]1CCC[C@@H](CCNC(=O)c2ncccc2[*:1])C1
CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1ccccc1Cl Clc1ccccc1SC[*:1] CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[*:1]
CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1ccccc1Cl Clc1ccccc1[*:1] CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CS[*:1]
CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1ccccc1Cl Clc1ccccc1S[*:1] CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[*:1]
CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1ccccc1Cl CCC[*:1] O=C(CSc1ccccc1Cl)N(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[*:1]
O=C(CCNC(=O)c1ccncc1Cl)NC1CCCC1 C1CCC(C1)[*:1] O=C(CCNC(=O)c1ccncc1Cl)N[*:1]
CCCCCC[C@@H](C)N1CCC(=O)N2CCC[C@@H]2C1=O CCCC[*:1] C[C@H](CC[*:1])N1CCC(=O)N2CCC[C@@H]2C1=O
CCCCCC[C@@H](C)N1CCC(=O)N2CCC[C@@H]2C1=O CCCCCC[*:1] C[C@@H](N1CCC(=O)N2CCC[C@@H]2C1=O)[*:1]
CCCCCC[C@@H](C)N1CCC(=O)N2CCC[C@@H]2C1=O CCCCC[*:1] C[C@H](C[*:1])N1CCC(=O)N2CCC[C@@H]2C1=O
CCCCCC[C@@H](C)N1CCC(=O)N2CCC[C@@H]2C1=O CCC[*:1] C[C@H](CCC[*:1])N1CCC(=O)N2CCC[C@@H]2C1=O
O=C(CSc1nc2ccccc2o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2o1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CSc1nc2ccccc2o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc2oc(nc2c1)[*:1] O=C(CS[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
CCc1cccc(NC(=O)c2cc(C)c(C#CCO)s2)c1 OCC#C[*:1] CCc1cccc(c1)NC(=O)c1cc(C)c(s1)[*:1]
O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccccc1[*:1]
CC(C)c1ccc(-n2ccnc2SCC(=O)NCC2([O-])CCC2)cc1 CC(C)[*:1] O=C(CSc1nccn1-c1ccc(cc1)[*:1])NCC1([O-])CCC1
CC(C)(CS(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] O=C([O-])c1cc(ccc1Cl)NS(=O)(=O)C[*:1]
CC(C)(CS(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] CC(C)(C[*:1])C(=O)[O-] O=C([O-])c1cc(ccc1Cl)NS(=O)(=O)[*:1]
CC(C)(CS(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] O=C([O-])[*:1] CC(C)(CS(=O)(=O)Nc1ccc(Cl)c(c1)C(=O)[O-])[*:1]
CC(C)(CS(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] O=C([O-])[*:1] CC(C)(CS(=O)(=O)Nc1ccc(Cl)c(c1)[*:1])C(=O)[O-]
COc1ccc(C2(CNC(=O)[C@H](C)c3ccsc3)CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@@H](C(=O)NCC1(CCOCC1)[*:1])c1ccsc1
COc1ccc(C2(CNC(=O)[C@H](C)c3ccsc3)CCOCC2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)[C@H](C)[*:1]
COCCNC(=O)NCc1ccc(-n2cnc3ccccc32)cc1 COCCNC(=O)N[*:1] c1ccc2c(c1)ncn2-c1ccc(cc1)C[*:1]
COCCNC(=O)NCc1ccc(-n2cnc3ccccc32)cc1 COCC[*:1] O=C(NCc1ccc(cc1)-n1cnc2ccccc21)N[*:1]
COCCNC(=O)NCc1ccc(-n2cnc3ccccc32)cc1 COC[*:1] O=C(NCc1ccc(cc1)-n1cnc2ccccc21)NC[*:1]
Nc1ccc2c(N[C@H]3CCN(c4ncccc4F)C3)ncnc2n1 Fc1cccnc1[*:1] Nc1ccc2c(ncnc2n1)N[C@H]1CCN(C1)[*:1]
COC[C@H](Nc1nc(Cl)c(C(=O)OC)s1)c1ccco1 COC[*:1] COC(=O)c1sc(nc1Cl)N[C@H](c1ccco1)[*:1]
COC[C@H](Nc1nc(Cl)c(C(=O)OC)s1)c1ccco1 c1coc(c1)[*:1] COC[C@H](Nc1nc(Cl)c(s1)C(=O)OC)[*:1]
COC[C@H](Nc1nc(Cl)c(C(=O)OC)s1)c1ccco1 COC(=O)[*:1] COC[C@H](Nc1nc(Cl)c(s1)[*:1])c1ccco1
O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCCC(F)(F)F FC(F)(F)[*:1] O=C(CNC(=O)c1ccc(cc1)N1CCCC1=O)NCC[*:1]
O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCCC(F)(F)F FC(F)(F)C[*:1] O=C(CNC(=O)c1ccc(cc1)N1CCCC1=O)NC[*:1]
O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCCC(F)(F)F FC(F)(F)CC[*:1] O=C(CNC(=O)c1ccc(cc1)N1CCCC1=O)N[*:1]
O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCCC(F)(F)F O=C1CCCN1[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])NCCC(F)(F)F
COc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 COc1ccccc1[*:1] C[C@H](N[C@H](C)[*:1])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
COc1ccc([C@H](O)CNCc2cnc(N(C)C)s2)cc1 CN(C)[*:1] COc1ccc(cc1)[C@H](O)CNCc1cnc(s1)[*:1]
CSC(C)(C)CNC(=O)c1ccc(C)c(F)c1 CSC(C)(C)[*:1] Cc1ccc(cc1F)C(=O)NC[*:1]
O=S(=O)([O-])C[C@H]1CSSC[C@@H](CS(=O)(=O)[O-])SS1 O=S(=O)([O-])C[*:1] O=S(=O)([O-])C[C@@H]1CSSC[C@@H](SS1)[*:1]
O=S(=O)([O-])C[C@H]1CSSC[C@@H](CS(=O)(=O)[O-])SS1 O=S(=O)([O-])[*:1] O=S(=O)([O-])C[C@@H]1CSSC[C@H](C[*:1])SS1
Cc1ccc(N2C(=O)N(CC(=O)Nc3cccc(C)c3C)C(=O)[C@@H]2C)cc1 Cc1cccc(c1C)[*:1] Cc1ccc(cc1)N1C(=O)N(CC(=O)N[*:1])C(=O)[C@@H]1C
Cc1ccc(N2C(=O)N(CC(=O)Nc3cccc(C)c3C)C(=O)[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(NC(=O)CN2C(=O)[C@H](C)N(C2=O)[*:1])c1C
c1cc(-c2nc(CN3CCCC4(C3)OCCO4)no2)cs1 c1cc(cs1)[*:1] C1CN(Cc2noc(n2)[*:1])CC2(C1)OCCO2
O=[N+]([O-])c1cccnc1Sc1ncn(-c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)n1 O=[N+]([O-])c1cccnc1S[*:1] FC(F)(F)c1cc(c2ccc(nc2n1)-n1cnc(n1)[*:1])C(F)(F)F
O=[N+]([O-])c1cccnc1Sc1ncn(-c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)n1 O=[N+]([O-])c1cccnc1[*:1] FC(F)(F)c1cc(c2ccc(nc2n1)-n1cnc(n1)S[*:1])C(F)(F)F
O=[N+]([O-])c1cccnc1Sc1ncn(-c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)n1 O=[N+]([O-])[*:1] FC(F)(F)c1cc(c2ccc(nc2n1)-n1cnc(n1)Sc1ncccc1[*:1])C(F)(F)F
O=[N+]([O-])c1cccnc1Sc1ncn(-c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)n1 FC(F)(F)[*:1] O=[N+]([O-])c1cccnc1Sc1ncn(n1)-c1ccc2c(cc(nc2n1)C(F)(F)F)[*:1]
O=[N+]([O-])c1cccnc1Sc1ncn(-c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)n1 FC(F)(F)[*:1] O=[N+]([O-])c1cccnc1Sc1ncn(n1)-c1ccc2c(cc(nc2n1)[*:1])C(F)(F)F
COC(=O)[C@H](C)CNC(=O)Nc1cc(F)c(F)cc1Cl COC(=O)[C@H](C)[*:1] O=C(NC[*:1])Nc1cc(F)c(F)cc1Cl
COC(=O)[C@H](C)CNC(=O)Nc1cc(F)c(F)cc1Cl COC(=O)[*:1] C[C@H](CNC(=O)Nc1cc(F)c(F)cc1Cl)[*:1]
O=C(Cc1ccccc1)Nc1cc(NCc2cc(=O)n3cc(Cl)ccc3n2)ccc1F c1ccc(cc1)C[*:1] O=C(Nc1cc(ccc1F)NCc1cc(=O)n2cc(Cl)ccc2n1)[*:1]
O=C(Cc1ccccc1)Nc1cc(NCc2cc(=O)n3cc(Cl)ccc3n2)ccc1F O=C(Cc1ccccc1)N[*:1] O=c1cc(CNc2ccc(F)c(c2)[*:1])nc2ccc(Cl)cn12
O=C(Cc1ccccc1)Nc1cc(NCc2cc(=O)n3cc(Cl)ccc3n2)ccc1F c1ccc(cc1)[*:1] O=C(C[*:1])Nc1cc(ccc1F)NCc1cc(=O)n2cc(Cl)ccc2n1
CCOCCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 CCOCCC(=O)N[*:1] c1ccc(cc1)-c1nc(oc1-c1ccccc1)[*:1]
CCOCCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 CCO[*:1] O=C(CC[*:1])Nc1nc(-c2ccccc2)c(o1)-c1ccccc1
CCOCCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 CCOCC[*:1] O=C(Nc1nc(-c2ccccc2)c(o1)-c1ccccc1)[*:1]
CCOCCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 c1ccc(cc1)[*:1] CCOCCC(=O)Nc1nc(-c2ccccc2)c(o1)[*:1]
CCOCCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 CCOC[*:1] O=C(C[*:1])Nc1nc(-c2ccccc2)c(o1)-c1ccccc1
CCOCCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 c1ccc(cc1)[*:1] CCOCCC(=O)Nc1nc(c(o1)-c1ccccc1)[*:1]
C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H](NC(=O)CCC(=O)c1ccc2OCCCOc2c1)c1ccc(cc1)[*:1]
CCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)C3CCCC3)ccc2n1C O=C(N[*:1])C1CCCC1 CCOc1c(cn(C)c1-c1nc2cc(ccc2n1C)[*:1])C(N)=O
CCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)C3CCCC3)ccc2n1C NC(=O)[*:1] CCOc1c(cn(C)c1-c1nc2cc(ccc2n1C)NC(=O)C1CCCC1)[*:1]
CCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)C3CCCC3)ccc2n1C CCO[*:1] Cn1cc(C(N)=O)c(c1-c1nc2cc(ccc2n1C)NC(=O)C1CCCC1)[*:1]
CCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)C3CCCC3)ccc2n1C C1CCC(C1)[*:1] CCOc1c(cn(C)c1-c1nc2cc(ccc2n1C)NC(=O)[*:1])C(N)=O
CCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(c3ncccn3)CC2)c1=S Clc1ccc(cc1)[*:1] CCn1c(nn(CN2CCN(CC2)c2ncccn2)c1=S)[*:1]
CCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(c3ncccn3)CC2)c1=S c1cnc(nc1)[*:1] CCn1c(nn(CN2CCN(CC2)[*:1])c1=S)-c1ccc(Cl)cc1
COCc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 COC[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccccc1[*:1]
COCc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COCc1ccccc1NC(=O)N(C)[C@H](C)[*:1]
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1C Clc1ccc(cc1)[*:1] Cc1cccc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])c1C
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1
COC(=O)[C@H]1C=c2ccc(C)cc2=[NH+]1 COC(=O)[*:1] Cc1ccc2=C[C@@H]([NH+]=c2c1)[*:1]
CCN(C(=O)CCN1C(=O)CCC1=O)C12CC3CC(CC(C3)C1)C2 O=C1CCC(=O)N1[*:1] CCN(C(=O)CC[*:1])C12CC3CC(CC(C3)C1)C2
CCN(C(=O)CCN1C(=O)CCC1=O)C12CC3CC(CC(C3)C1)C2 O=C1CCC(=O)N1C[*:1] CCN(C(=O)C[*:1])C12CC3CC(CC(C3)C1)C2
CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 O=[N+]([O-])[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)C(=O)c1cc(C)cc(c1N)[*:1]
CCc1nc(CNc2cccc(Cl)c2-n2cccn2)no1 CCc1nc(no1)[*:1] Clc1cccc(NC[*:1])c1-n1cccn1
CCc1nc(CNc2cccc(Cl)c2-n2cccn2)no1 c1cnn(c1)[*:1] CCc1nc(CNc2cccc(Cl)c2[*:1])no1
O=C(Nc1cnccn1)C1CC[NH+](Cn2nc(-c3ccc(Cl)cc3)oc2=S)CC1 O=C(Nc1cnccn1)[*:1] S=c1oc(nn1C[NH+]1CCC(CC1)[*:1])-c1ccc(Cl)cc1
O=C(Nc1cnccn1)C1CC[NH+](Cn2nc(-c3ccc(Cl)cc3)oc2=S)CC1 c1cnc(cn1)[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cn1nc(oc1=S)-c1ccc(Cl)cc1
O=C(Nc1cnccn1)C1CC[NH+](Cn2nc(-c3ccc(Cl)cc3)oc2=S)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1cnccn1)C1CC[NH+](CC1)Cn1nc(oc1=S)[*:1]
CCOc1c(C[NH+]2CCC(n3cccn3)CC2)c(C)nn1CC(C)C CCO[*:1] Cc1nn(CC(C)C)c(c1C[NH+]1CCC(CC1)n1cccn1)[*:1]
CCOc1c(C[NH+]2CCC(n3cccn3)CC2)c(C)nn1CC(C)C CC(C)C[*:1] CCOc1c(C[NH+]2CCC(CC2)n2cccn2)c(C)nn1[*:1]
CCOc1c(C[NH+]2CCC(n3cccn3)CC2)c(C)nn1CC(C)C c1cnn(c1)[*:1] CCOc1c(C[NH+]2CCC(CC2)[*:1])c(C)nn1CC(C)C
CCOc1c(C[NH+]2CCC(n3cccn3)CC2)c(C)nn1CC(C)C CC(C)[*:1] CCOc1c(C[NH+]2CCC(CC2)n2cccn2)c(C)nn1C[*:1]
Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(c2cc(N)nc(N)n2)C1 Nc1cc(nc(N)n1)[*:1] Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(C1)[*:1]
CC1(C)C[C@H](NC(=O)Cc2ccccc2)C[C@](C)(CNC(=O)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CC1(C)C[C@@H](C[C@](C)(CNC(=O)Cc2ccccc2)C1)NC(=O)[*:1]
CC1(C)C[C@H](NC(=O)Cc2ccccc2)C[C@](C)(CNC(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] CC1(C)C[C@@H](C[C@](C)(CNC(=O)C[*:1])C1)NC(=O)Cc1ccccc1
CC1(C)C[C@H](NC(=O)Cc2ccccc2)C[C@](C)(CNC(=O)Cc2ccccc2)C1 O=C(Cc1ccccc1)N[*:1] CC1(C)C[C@H](C[C@](C)(CNC(=O)Cc2ccccc2)C1)[*:1]
CC1(C)C[C@H](NC(=O)Cc2ccccc2)C[C@](C)(CNC(=O)Cc2ccccc2)C1 O=C(Cc1ccccc1)N[*:1] CC1(C)C[C@@H](C[C@@](C)(C1)C[*:1])NC(=O)Cc1ccccc1
CC1(C)C[C@H](NC(=O)Cc2ccccc2)C[C@](C)(CNC(=O)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CC1(C)C[C@@H](C[C@](C)(CNC(=O)[*:1])C1)NC(=O)Cc1ccccc1
CC1(C)C[C@H](NC(=O)Cc2ccccc2)C[C@](C)(CNC(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] CC1(C)C[C@@H](C[C@](C)(CNC(=O)Cc2ccccc2)C1)NC(=O)C[*:1]
COC(=O)[C@](C)([NH3+])Cc1ccc(Br)cc1 COC(=O)[*:1] C[C@]([NH3+])(Cc1ccc(Br)cc1)[*:1]
O=C([O-])c1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1 O=C([O-])[*:1] Oc1cccc2ccc(/C=C/c3ccc(cc3)[*:1])nc12
CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] CCN(C(=O)c1ccc(o1)[*:1])[C@H]1CCS(=O)(=O)C1
CNC(=O)[C@@H]1CN(C(=O)c2nc(N3CCCC3)nc3c2CCCC3)CCO1 C1CCN(C1)[*:1] CNC(=O)[C@@H]1CN(CCO1)C(=O)c1nc(nc2CCCCc21)[*:1]
CNC(=O)[C@@H]1CN(C(=O)c2nc(N3CCCC3)nc3c2CCCC3)CCO1 CNC(=O)[*:1] O=C(c1nc(nc2CCCCc21)N1CCCC1)N1CCO[C@@H](C1)[*:1]
O=C(NCc1cccc([N+]2=CCCC2)c1)NC[C@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)NC[C@H](O)[*:1]
COCCCNC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COCCCNC(=O)c1ccc(cc1)NC(=O)[*:1]
COCCCNC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 COCCCNC(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
COCCCNC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 COCCC[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
COCCCNC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 COCC[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
COCCCNC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 COC[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NCC[*:1]
C[C@@H](Sc1nncn1C)C(=O)Oc1ccc2ccccc2c1 Cn1cnnc1S[*:1] C[C@@H](C(=O)Oc1ccc2ccccc2c1)[*:1]
C[C@@H](Sc1nncn1C)C(=O)Oc1ccc2ccccc2c1 Cn1cnnc1[*:1] C[C@@H](S[*:1])C(=O)Oc1ccc2ccccc2c1
CCS(=O)(=O)NCCSc1nnc(-c2ccc(C)cc2C)o1 CCS(=O)(=O)NC[*:1] Cc1ccc(-c2nnc(o2)SC[*:1])c(C)c1
CCS(=O)(=O)NCCSc1nnc(-c2ccc(C)cc2C)o1 CCS(=O)(=O)N[*:1] Cc1ccc(-c2nnc(o2)SCC[*:1])c(C)c1
COc1ccccc1NC(=O)/C(C#N)=C(/[O-])C[C@H](C)CC(C)C CC(C)C[*:1] COc1ccccc1NC(=O)/C(C#N)=C(/[O-])C[C@H](C)[*:1]
COc1ccccc1NC(=O)/C(C#N)=C(/[O-])C[C@H](C)CC(C)C CC(C)[*:1] COc1ccccc1NC(=O)/C(C#N)=C(/[O-])C[C@H](C)C[*:1]
Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1 CS(=O)(=O)C[*:1] Cc1nn(C[*:1])c(C)c1[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)C1CC1
Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1]
Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1 CS(=O)(=O)[*:1] Cc1nn(CC[*:1])c(C)c1[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)C1CC1
Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1 CS(=O)(=O)CC[*:1] Cc1nn(c(C)c1[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)C1CC1)[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)[C@H]2CCCn3ccnc32)CC1 Cc1cccc(C)c1[*:1] O=C([C@H]1CCCn2ccnc21)N1CCC(CC1)O[*:1]
CC[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)c1c(C)noc1C c1ccc(cc1)[*:1] CC[C@@H]([NH2+][C@H]1CCCc2nc(sc21)[*:1])c1c(C)noc1C
CC[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H]([NH2+][C@H]1CCCc2nc(sc21)-c1ccccc1)[*:1]
O=C(NN1CCCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] O=C(NN1CCCCC1)[C@@H]1CN(CCO1)[*:1]
O=C(NN1CCCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] O=C(NN1CCCCC1)[C@@H]1CN(CCO1)C[*:1]
Cc1ccc([C@](C)(O)CNc2c(C#N)c(=O)n(C)c(=O)n2C)o1 Cc1ccc(o1)[*:1] Cn1c(NC[C@](C)(O)[*:1])c(C#N)c(=O)n(C)c1=O
CC[C@@H](NC(=O)N(C)Cc1ccc(OC)c(F)c1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@@H](NC(=O)N(C)Cc1ccc(OC)c(F)c1)[*:1]
O=C(/C=C/c1ccccc1)OCC(=O)C1=c2ccccc2=[NH+]C1 c1ccc(cc1)[*:1] O=C(C=C[*:1])OCC(=O)C1C[NH+]=c2ccccc2=1
CN(C(=O)Nc1cnc(-c2ccccc2)s1)[C@@H]1CCCc2c1cnn2C c1ccc(cc1)[*:1] CN(C(=O)Nc1cnc(s1)[*:1])[C@@H]1CCCc2c1cnn2C
C[C@@H](C(=O)NCc1ccc(F)cc1)[S@@](=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NCc1ccc(F)cc1)[S@@](=O)C[*:1]
C[C@@H](C(=O)NCc1ccc(F)cc1)[S@@](=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])[S@@](=O)Cc1ccc(F)cc1
COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)c1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 c1cc2OCCOc2cc1[*:1] COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1ccc(CCNC(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NCC[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@@H](C)Cc3cccs3)cc12 c1csc(c1)C[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@@H](C)[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@@H](C)Cc3cccs3)cc12 c1csc(c1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@@H](C)C[*:1]
C[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)CN1CC[NH+](C)CC1 CC(C)(C)C[*:1] C[C@H](C[NH2+]C1CCN(CC1)C(=O)[*:1])CN1CC[NH+](C)CC1
C[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)CN1CC[NH+](C)CC1 CC(C)(C)[*:1] C[C@H](C[NH2+]C1CCN(CC1)C(=O)C[*:1])CN1CC[NH+](C)CC1
Cc1nc(-c2nc[nH]n2)sc1C(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 c1cc(n[nH]1)[*:1] Cc1nc(sc1C(=O)N[C@H](C(=O)N[*:1])c1ccccc1)-c1nc[nH]n1
Cc1nc(-c2nc[nH]n2)sc1C(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N[C@H](C(=O)Nc1cc[nH]n1)[*:1])-c1nc[nH]n1
Cc1nc(-c2nc[nH]n2)sc1C(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 O=C(Nc1cc[nH]n1)[*:1] Cc1nc(sc1C(=O)N[C@H](c1ccccc1)[*:1])-c1nc[nH]n1
CCC(C)(C)NC(=O)c1c(Br)c(C)nn1C CCC(C)(C)[*:1] Cc1nn(C)c(C(=O)N[*:1])c1Br
CCCC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cc(C)oc1C CCCC[*:1] Cc1cc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2[*:1])c(C)o1
CCCC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cc(C)oc1C CCC[*:1] Cc1cc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2C[*:1])c(C)o1
CCCC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] CCCC[C@H]1CCC[C@H]1NC(=O)NNC(=O)[*:1]
CCc1ccccc1N1C[C@@H](C(=O)NNc2ccccc2C(F)(F)F)CC1=O FC(F)(F)[*:1] CCc1ccccc1N1C[C@H](CC1=O)C(=O)NNc1ccccc1[*:1]
CCc1ccccc1N1C[C@@H](C(=O)NNc2ccccc2C(F)(F)F)CC1=O CCc1ccccc1[*:1] O=C(NNc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(C1)[*:1]
COCC[C@H](C)C(=O)N[C@H]1COc2c(cccc2OC)C1 COCC[C@H](C)[*:1] COc1cccc2C[C@H](COc21)NC(=O)[*:1]
COCC[C@H](C)C(=O)N[C@H]1COc2c(cccc2OC)C1 COC[*:1] COc1cccc2C[C@H](COc21)NC(=O)[C@@H](C)C[*:1]
COCC[C@H](C)C(=O)N[C@H]1COc2c(cccc2OC)C1 COCC[*:1] COc1cccc2C[C@H](COc21)NC(=O)[C@@H](C)[*:1]
COCc1nnc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)s1 COC[*:1] CN(C)C(=O)N1CCC[C@H](C1)C(=O)Nc1nnc(s1)[*:1]
CCc1cc(CN2CCC[C@@H]2c2nc(-c3ccccc3)no2)on1 c1ccc(cc1)[*:1] CCc1cc(CN2CCC[C@@H]2c2nc(no2)[*:1])on1
CCc1cc(CN2CCC[C@@H]2c2nc(-c3ccccc3)no2)on1 CCc1cc(on1)[*:1] c1ccc(cc1)-c1noc(n1)[C@H]1CCCN1C[*:1]
CCc1cc(CN2CCC[C@@H]2c2nc(-c3ccccc3)no2)on1 CCc1cc(C[*:1])on1 c1ccc(cc1)-c1noc(n1)[C@H]1CCCN1[*:1]
COc1ccc(F)cc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] COc1ccc(F)cc1NC(=O)NC[C@@H]1CN(CCO1)[*:1]
COc1ccc(F)cc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)NC[C@@H]1CN(CCO1)C[*:1]
COc1ccc(F)cc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 COc1ccc(F)cc1[*:1] O=C(NC[C@@H]1CN(CCO1)Cc1ccccc1)N[*:1]
C[NH2+][C@H](CC(C)C)c1cc(OC)cc(OC)c1 CC(C)[*:1] C[NH2+][C@H](C[*:1])c1cc(cc(c1)OC)OC
C[NH2+][C@H](CC(C)C)c1cc(OC)cc(OC)c1 CC(C)C[*:1] C[NH2+][C@H](c1cc(cc(c1)OC)OC)[*:1]
Cc1noc(C)c1S(=O)(=O)[N-]c1nccs1 c1csc(n1)[*:1] Cc1noc(C)c1S(=O)(=O)[N-][*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 Oc1ccc(cc1)C[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)Oc1ccccc1)[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 Oc1ccc(cc1)[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc(cc1)Oc1ccccc1
O=C(CNC(=O)c1ccccc1F)Nc1ccc(-n2cncn2)nc1 Fc1ccccc1[*:1] O=C(CNC(=O)[*:1])Nc1ccc(nc1)-n1cncn1
O=C(CNC(=O)c1ccccc1F)Nc1ccc(-n2cncn2)nc1 c1ncn(n1)[*:1] O=C(CNC(=O)c1ccccc1F)Nc1ccc(nc1)[*:1]
COC(C)(C)CNc1cncc(-n2ccnc2C)n1 COC(C)(C)C[*:1] Cc1nccn1-c1cncc(n1)N[*:1]
COC(C)(C)CNc1cncc(-n2ccnc2C)n1 Cc1nccn1[*:1] COC(C)(C)CNc1cncc(n1)[*:1]
COC(C)(C)CNc1cncc(-n2ccnc2C)n1 COC(C)(C)[*:1] Cc1nccn1-c1cncc(n1)NC[*:1]
COC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] COC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)C[*:1]
COC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc(F)c1 COC(=O)[*:1] O=S(=O)(Cc1cccc(F)c1)N[C@@H]1CCCC[C@@H]1[*:1]
COc1cc(C#N)ccc1OCCOc1ccc(Cl)cc1C(N)=O NC(=O)[*:1] COc1cc(C#N)ccc1OCCOc1ccc(Cl)cc1[*:1]
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)COc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN(C)C(=O)COc1ccccc1[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)[C@@H](O)[C@H]1CSCCO1 CC(C)[*:1] O[C@@H]([C@H]1CSCCO1)[*:1]
CC(C)(CNC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccncc1 O=C(c1ccccc1)[*:1] CC(C)(CNC(=O)N1CCC(CC1)[*:1])c1ccncc1
CC(C)(CNC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(c1ccccc1)C1CCN(CC1)C(=O)NC[*:1]
CC(C)(CNC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccncc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)N1CCC(CC1)C(=O)[*:1])c1ccncc1
CC(C)(CNC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N1CCC(CC1)C(=O)c1ccccc1)[*:1]
CSCc1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cc1 NC(=O)[*:1] CSCc1ccc(cc1)C(=O)NCC1(CCOCC1)[*:1]
CSCc1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cc1 CSC[*:1] NC(=O)C1(CCOCC1)CNC(=O)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(CNC(F)(F)F)cc1 FC(F)(F)N[*:1] O=[N+]([O-])c1ccc(cc1)C[*:1]
O=[N+]([O-])c1ccc(CNC(F)(F)F)cc1 FC(F)(F)[*:1] O=[N+]([O-])c1ccc(cc1)CN[*:1]
O=[N+]([O-])c1ccc(CNC(F)(F)F)cc1 O=[N+]([O-])[*:1] FC(F)(F)NCc1ccc(cc1)[*:1]
COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1C Cc1ccccc1[*:1] COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)N[*:1]
COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1C COc1ccccc1[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccccc1C)[*:1]
CSCc1ccnc(N2CCN(C(=O)Cc3ccccc3F)CC2)c1 Fc1ccccc1[*:1] CSCc1ccnc(c1)N1CCN(CC1)C(=O)C[*:1]
CSCc1ccnc(N2CCN(C(=O)Cc3ccccc3F)CC2)c1 Fc1ccccc1C[*:1] CSCc1ccnc(c1)N1CCN(CC1)C(=O)[*:1]
CSCc1ccnc(N2CCN(C(=O)Cc3ccccc3F)CC2)c1 CSC[*:1] O=C(Cc1ccccc1F)N1CCN(CC1)c1cc(ccn1)[*:1]
CC1(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)Cc2ccccc2C1 O=[N+]([O-])[*:1] CC1(Cc2ccccc2C1)NC(=O)CCCn1c(=O)oc2cc(ccc21)[*:1]
C/C(=C\c1cc(Cl)ccc1OC(F)F)CO CC(=C[*:1])CO FC(F)Oc1ccc(Cl)cc1[*:1]
C/C(=C\c1cc(Cl)ccc1OC(F)F)CO FC(F)[*:1] C/C(=C\c1cc(Cl)ccc1O[*:1])CO
C/C(=C\c1cc(Cl)ccc1OC(F)F)CO FC(F)O[*:1] C/C(=C\c1cc(Cl)ccc1[*:1])CO
COc1cc(C)ccc1NC(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)n1 COc1cc(C)ccc1[*:1] O=C(Nc1ccc(Cl)cc1)Nc1nc(cs1)C(=O)N[*:1]
COc1cc(C)ccc1NC(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] COc1cc(C)ccc1NC(=O)c1csc(n1)NC(=O)N[*:1]
CCOC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 CCOC(=O)[*:1] Cc1ccc(cc1C)Nc1nnc(SC[*:1])s1
CCOC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 CCOC(=O)CS[*:1] Cc1ccc(cc1C)Nc1nnc(s1)[*:1]
CCOC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 CCOC(=O)C[*:1] Cc1ccc(cc1C)Nc1nnc(S[*:1])s1
COc1ccccc1[C@@H](C)CC(=O)NC[C@@H](C)c1cccc(C)c1 COc1ccccc1[*:1] Cc1cccc(c1)[C@H](C)CNC(=O)C[C@H](C)[*:1]
COc1ccccc1[C@@H](C)CC(=O)NC[C@@H](C)c1cccc(C)c1 Cc1cccc(c1)[*:1] COc1ccccc1[C@@H](C)CC(=O)NC[C@@H](C)[*:1]
COc1ccc(CNC(=O)c2cccc(C(=O)N(C)C)c2)cc1OC CN(C)C(=O)[*:1] COc1ccc(cc1OC)CNC(=O)c1cccc(c1)[*:1]
O=C(NCc1ccco1)c1cc2cnsc2s1 c1coc(c1)[*:1] O=C(NC[*:1])c1cc2cnsc2s1
Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)O3)n1 Cc1cnc(C)c(n1)[*:1] O=C(Cc1cccc(c1)C(F)(F)F)NC[C@H]1Cc2cc(ccc2O1)[*:1]
Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)O3)n1 FC(F)(F)[*:1] Cc1cnc(C)c(n1)-c1ccc2O[C@@H](CNC(=O)Cc3cccc(c3)[*:1])Cc2c1
Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)O3)n1 FC(F)(F)c1cccc(c1)[*:1] Cc1cnc(C)c(n1)-c1ccc2O[C@@H](CNC(=O)C[*:1])Cc2c1
CCc1ccc(C2=CCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)CC2)cc1 C1CO[C@@H](C1)C[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)[C@@H](C)O[*:1]
CCc1ccc(C2=CCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)CC2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CC=C(CC1)[*:1]
CCc1ccc(C2=CCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)CC2)cc1 C1CO[C@@H](C1)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)[C@@H](C)OC[*:1]
CCc1ccc(C2=CCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)CC2)cc1 C1CO[C@@H](C1)CO[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)[C@@H](C)[*:1]
Cc1cc(C(=O)N(CC(C)C)CC(C)C)sc1Br CC(C)C[*:1] Cc1cc(sc1Br)C(=O)N(CC(C)C)[*:1]
Cc1cc(C(=O)N(CC(C)C)CC(C)C)sc1Br CC(C)[*:1] Cc1cc(sc1Br)C(=O)N(CC(C)C)C[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(C=O)[nH]2)cc1 O=Cc1ccc([nH]1)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(C=O)[nH]2)cc1 Cc1nccn1[*:1] C[C@H](NC(=O)c1ccc(C=O)[nH]1)c1ccc(cc1)[*:1]
CN(C/C([O-])=N/S(=O)(=O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] CN(C/C([O-])=N/S(=O)(=O)C[*:1])c1ccccc1[N+](=O)[O-]
CN(C/C([O-])=N/S(=O)(=O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C/C([O-])=N/S(=O)(=O)Cc1ccccc1)c1ccccc1[*:1]
CN(C/C([O-])=N/S(=O)(=O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] c1ccc(cc1)C[*:1] CN(C/C([O-])=N/S(=O)(=O)[*:1])c1ccccc1[N+](=O)[O-]
C[C@@H](Sc1nncn1C)C(=O)N1CC[C@@H](Cc2ccccc2)C1 Cn1cnnc1[*:1] C[C@@H](S[*:1])C(=O)N1CC[C@@H](Cc2ccccc2)C1
C[C@@H](Sc1nncn1C)C(=O)N1CC[C@@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@@H](Sc1nncn1C)C(=O)N1CC[C@@H](C1)[*:1]
C[C@@H](Sc1nncn1C)C(=O)N1CC[C@@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H](Sc1nncn1C)C(=O)N1CC[C@H](C1)C[*:1]
C[C@@H](Sc1nncn1C)C(=O)N1CC[C@@H](Cc2ccccc2)C1 Cn1cnnc1S[*:1] C[C@@H](C(=O)N1CC[C@@H](Cc2ccccc2)C1)[*:1]
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(N3CCCCC3=O)cc2)c1 O=C1CCCCN1[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)c1ccc(cc1)[*:1]
C[C@@H](NC(N)=O)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 NC(=O)N[*:1] C[C@@H](C(=O)NNC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1)[*:1]
C[C@@H](NC(N)=O)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(N)=O)C(=O)NNC(=O)c1cn(nc1-c1ccccc1)[*:1]
C[C@@H](NC(N)=O)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(N)=O)C(=O)NNC(=O)c1cn(nc1[*:1])-c1ccccc1
CC(C)c1nn(C)cc1CN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)c1nn(C)cc1CN(C)Cc1ccc(Br)c(c1)[*:1]
CC(C)c1nn(C)cc1CN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 CC(C)[*:1] CN(Cc1ccc(Br)c(c1)[N+](=O)[O-])Cc1cn(C)nc1[*:1]
CCCC[NH+](C)C1c2ccccc2-c2ccccc21 CCC[*:1] C[NH+](C[*:1])C1c2ccccc2-c2ccccc21
CCCC[NH+](C)C1c2ccccc2-c2ccccc21 CCCC[*:1] C[NH+](C1c2ccccc2-c2ccccc21)[*:1]
O=C(NC1CCCC1)[C@@H]1C=C(c2ccc(F)cc2)N=N1 C1CCC(C1)[*:1] O=C(N[*:1])[C@@H]1C=C(N=N1)c1ccc(F)cc1
CCOC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 N#CC[*:1] CCOC1CC[NH+](CC1)Cc1cn(C[*:1])nc1-c1ccccc1
CCOC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC1CC[NH+](CC1)Cc1cn(CCC#N)nc1[*:1]
CCOC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 N#CCC[*:1] CCOC1CC[NH+](CC1)Cc1cn(nc1-c1ccccc1)[*:1]
CCOC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 CCO[*:1] N#CCCn1cc(C[NH+]2CCC(CC2)[*:1])c(n1)-c1ccccc1
Cc1cc(S(=O)(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)sc1C CC(C)(C)[*:1] Cc1cc(sc1C)S(=O)(=O)NC[C@H]1CCCO[C@@H]1[*:1]
Cc1cc(S(=O)(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)sc1C Cc1cc(sc1C)[*:1] CC(C)(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)[*:1]
O=C(Oc1ccc(N2CCOC2=O)cc1)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(Oc1ccc(cc1)N1CCOC1=O)c1cc([nH]n1)[*:1]
O=C(Oc1ccc(N2CCOC2=O)cc1)c1cc(C2CC2)[nH]n1 O=C1OCCN1[*:1] O=C(Oc1ccc(cc1)[*:1])c1cc([nH]n1)C1CC1
Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/c2ccco2)c(C)c1 C(=C[*:1])c1ccco1 Cc1cc(C)c(NC(=O)CN(C)C(=O)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/c2ccco2)c(C)c1 c1coc(c1)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)C=C[*:1])c(C)c1
CC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3cc(C)sc32)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)Cn1c(=O)n(c(=O)c2cc(C)sc21)[*:1]
CC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3cc(C)sc32)cc1 CC(=O)[*:1] Cc1cc2c(=O)n(-c3ccccc3)c(=O)n(CC(=O)Nc3ccc(cc3)[*:1])c2s1
CC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3cc(C)sc32)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1cc2c(=O)n(-c3ccccc3)c(=O)n(CC(=O)N[*:1])c2s1
CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(C)cc(F)c2)C1 CCOC(=O)N[*:1] Cc1cc(F)cc(c1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
CC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](NS(=O)(=O)c2ccccc2)C1 CC(C)(C)[*:1] CC1(C)Cc2nc(ncc2[C@H](C1)NS(=O)(=O)c1ccccc1)[*:1]
CC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](NS(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CC1(C)Cc2nc(ncc2[C@H](C1)NS(=O)(=O)[*:1])C(C)(C)C
CCOCCN(C)C(=O)N[C@@H](C)C(=O)N1CCc2ccccc21 CCOC[*:1] C[C@H](NC(=O)N(C)C[*:1])C(=O)N1CCc2ccccc21
CCOCCN(C)C(=O)N[C@@H](C)C(=O)N1CCc2ccccc21 CCO[*:1] C[C@H](NC(=O)N(C)CC[*:1])C(=O)N1CCc2ccccc21
CCOCCN(C)C(=O)N[C@@H](C)C(=O)N1CCc2ccccc21 CCOCC[*:1] C[C@H](NC(=O)N(C)[*:1])C(=O)N1CCc2ccccc21
CCc1ccc(C(C)(C)CNC(=O)/C=C/c2cncc(C(=O)NC)c2)cc1 CCc1ccc(cc1)[*:1] CNC(=O)c1cncc(/C=C/C(=O)NCC(C)(C)[*:1])c1
CCc1ccc(C(C)(C)CNC(=O)/C=C/c2cncc(C(=O)NC)c2)cc1 CNC(=O)[*:1] CCc1ccc(cc1)C(C)(C)CNC(=O)/C=C/c1cncc(c1)[*:1]
Cc1cc(C)cc(OCC(=O)NCc2cc[nH]n2)c1 c1cc(C[*:1])n[nH]1 Cc1cc(C)cc(c1)OCC(=O)N[*:1]
Cc1cc(C)cc(OCC(=O)NCc2cc[nH]n2)c1 c1cc(n[nH]1)[*:1] Cc1cc(C)cc(c1)OCC(=O)NC[*:1]
Cc1cccc(CN[C@@H]2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)n1 Cc1cccc(C[*:1])n1 Cn1nc(C(=O)N2CCc3ccccc3C2)c2C[C@@H](CCc21)N[*:1]
Cc1cccc(CN[C@@H]2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)n1 Cc1cccc(CN[*:1])n1 Cn1nc(C(=O)N2CCc3ccccc3C2)c2C[C@@H](CCc21)[*:1]
Cc1cccc(CN[C@@H]2CCc3c(c(C(=O)N4CCc5ccccc5C4)nn3C)C2)n1 Cc1cccc(n1)[*:1] Cn1nc(C(=O)N2CCc3ccccc3C2)c2C[C@@H](CCc21)NC[*:1]
COCCC[NH2+][C@H]1CCOC2(CCSCC2)C1 COC[*:1] C(C[*:1])[NH2+][C@H]1CCOC2(CCSCC2)C1
COCCC[NH2+][C@H]1CCOC2(CCSCC2)C1 COCC[*:1] C1C[C@@H](CC2(CCSCC2)O1)[NH2+]C[*:1]
COCCC[NH2+][C@H]1CCOC2(CCSCC2)C1 COCCC[*:1] C1C[C@@H](CC2(CCSCC2)O1)[NH2+][*:1]
C[C@@H](CN(C)C(=O)N[C@@H]1CC=CCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CN(C)C(=O)N[C@@H]1CC=CCC1)[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)Cc1ccccc1Cl Clc1ccccc1[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)C[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)Cc1ccccc1Cl CC(C)(C)[*:1] O=C(NC[C@@H]1CCCN1C(=O)Cc1ccccc1Cl)O[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)Cc1ccccc1Cl CC(C)(C)OC(=O)N[*:1] O=C(Cc1ccccc1Cl)N1CCC[C@H]1C[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)Cc1ccccc1Cl Clc1ccccc1C[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OCCCC(N)=O NC(=O)CCC[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)O[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OCCCC(N)=O NC(=O)CC[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OC[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OCCCC(N)=O NC(=O)C[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OCC[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OCCCC(N)=O NC(=O)[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OCCC[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)OCCCC(N)=O Fc1ccc(c(F)c1)[*:1] Cc1nn(c(C)c1C(=O)OCCCC(N)=O)[*:1]
CCOC(=O)c1sc(NC(=O)CSc2cc(C)ccc2C)cc1C CCOC(=O)[*:1] Cc1ccc(C)c(c1)SCC(=O)Nc1cc(C)c(s1)[*:1]
CCOC(=O)c1sc(NC(=O)CSc2cc(C)ccc2C)cc1C Cc1ccc(C)c(c1)[*:1] CCOC(=O)c1sc(cc1C)NC(=O)CS[*:1]
CC(=O)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 c1csc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CCc1nc(no1)[*:1]
CC(=O)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 CC(=O)[*:1] O=C(CCc1nc(no1)-c1cccs1)Nc1ccc(cc1)[*:1]
CC(C)c1noc(CCC(=O)N(C)[C@@H]2CCC[C@H](C)C2)n1 CC(C)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)CCc1nc(no1)[*:1]
CCOC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3c(C)nn(CC)c3C)c(=O)n12 CCOC(=O)[*:1] CCn1nc(C)c(/C=c2/sc3=N[C@]4(C)Oc5ccccc5[C@@H]([C@@H]4[*:1])n3c2=O)c1C
CCOC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3c(C)nn(CC)c3C)c(=O)n12 CCn1nc(C)c(c1C)[*:1] CCOC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1sc(=C[*:1])c(=O)n12
Cc1cc(C)cc(-n2ccn(CC(N)=O)c(=O)c2=O)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)-n1ccn(C[*:1])c(=O)c1=O
Cc1cc(C)cc(-n2ccn(CC(N)=O)c(=O)c2=O)c1 NC(=O)C[*:1] Cc1cc(C)cc(c1)-n1ccn(c(=O)c1=O)[*:1]
Cc1cc(N2CCN(C(=O)CCn3nnc4ccccc43)CC2)cc(C)[nH+]1 c1ccc2c(c1)nnn2[*:1] Cc1cc(cc(C)[nH+]1)N1CCN(CC1)C(=O)CC[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)OCCCO3)cc1 CC(=O)c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1ccc2OCCCOc2c1)C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)OCCCO3)cc1 CC(=O)[*:1] C[C@@H](OC(=O)c1ccc2OCCCOc2c1)C(=O)Nc1ccc(cc1)[*:1]
COc1cccc(CN(C)C(=O)c2ccc3cc(OC)ccc3n2)c1 COc1cccc(c1)[*:1] COc1ccc2nc(ccc2c1)C(=O)N(C)C[*:1]
COCc1cc(N)nc(-c2cc(C)nc3ccccc23)n1 COC[*:1] Cc1cc(-c2nc(N)cc(n2)[*:1])c2ccccc2n1
O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCC(O)CC1 O=C1CCCN1[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCC(O)CC1
COCCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] COCC[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc2C1)N[*:1]
COCCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] COCCN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCc2ccccc2C1
COCCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] COC[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc2C1)NC[*:1]
COCCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COCCNc1ncnc(c1[*:1])N1CCc2ccccc2C1
CN1C(=O)N(CC(=O)c2ccccc2F)C(=O)C12CCCCC2 Fc1ccccc1[*:1] CN1C(=O)N(CC(=O)[*:1])C(=O)C12CCCCC2
CC[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@H]1[*:1])C(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)C
CC[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC[C@@H]1c1ccccc1 CC(C)(C)[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc([C@@H](NC(=O)C[C@H](NC(N)=O)c2ccccc2)c2ccccc2)cc1C NC(=O)N[*:1] Cc1ccc(cc1C)[C@@H](NC(=O)C[C@H](c1ccccc1)[*:1])c1ccccc1
Cc1ccc([C@@H](NC(=O)C[C@H](NC(N)=O)c2ccccc2)c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1)[*:1]
Cc1ccc([C@@H](NC(=O)C[C@H](NC(N)=O)c2ccccc2)c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)[C@@H](NC(=O)C[C@H](NC(N)=O)[*:1])c1ccccc1
Cc1ccc([C@@H](NC(=O)C[C@H](NC(N)=O)c2ccccc2)c2ccccc2)cc1C Cc1ccc(cc1C)[*:1] NC(=O)N[C@@H](CC(=O)N[C@@H](c1ccccc1)[*:1])c1ccccc1
Cc1ccc(C[C@@H](C)NC(=O)/C=C/c2ccc(C(N)=O)cc2)c(C)c1 NC(=O)[*:1] Cc1ccc(C[C@@H](C)NC(=O)/C=C/c2ccc(cc2)[*:1])c(C)c1
Cc1ccc(C[C@@H](C)NC(=O)/C=C/c2ccc(C(N)=O)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H](C[*:1])NC(=O)/C=C/c1ccc(cc1)C(N)=O
Cc1cccc(S(N)(=O)=O)c1Cl NS(=O)(=O)[*:1] Cc1cccc(c1Cl)[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)N2C[C@H](CO)OC[C@H]2C)n1 Cc1cc(C)n(n1)[*:1] C[C@@H]1CO[C@@H](CO)CN1C(=O)Nc1ccccc1[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=C/C(=O)Nc1ccc(F)c(c1)S(=O)(=O)N1CCOCC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1ccc(F)c(c1)[*:1]
COc1ccc(Cl)c(NNC(=O)N[C@H](C)CC(=O)NC(C)C)c1 CC(C)[*:1] COc1ccc(Cl)c(c1)NNC(=O)N[C@H](C)CC(=O)N[*:1]
COc1ccc(Cl)c(NNC(=O)N[C@H](C)CC(=O)NC(C)C)c1 CC(C)NC(=O)[*:1] COc1ccc(Cl)c(c1)NNC(=O)N[C@H](C)C[*:1]
COc1ccc(Cl)c(NNC(=O)N[C@H](C)CC(=O)NC(C)C)c1 CC(C)NC(=O)C[*:1] COc1ccc(Cl)c(c1)NNC(=O)N[C@H](C)[*:1]
Cc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)c(-c2nc(C3CC3)no2)c1 C1CC1[*:1] Cc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)c(c1)-c1nc(no1)[*:1]
Cc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)c(-c2nc(C3CC3)no2)c1 C1CC1c1noc(n1)[*:1] Cc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)c(c1)[*:1]
Cc1cc(C)n(CCCNc2nc(C3CC3)nc3c(C)nn(C)c23)n1 Cc1cc(C)n(n1)[*:1] Cc1nn(C)c2c(nc(nc12)C1CC1)NCCC[*:1]
Cc1cc(C)n(CCCNc2nc(C3CC3)nc3c(C)nn(C)c23)n1 C1CC1[*:1] Cc1cc(C)n(CCCNc2nc(nc3c(C)nn(C)c23)[*:1])n1
Cc1cc(C)n(CCCNc2nc(C3CC3)nc3c(C)nn(C)c23)n1 Cc1cc(C)n(C[*:1])n1 Cc1nn(C)c2c(nc(nc12)C1CC1)NCC[*:1]
O=[N+]([O-])c1ccc(-c2cs/c(=N\N=C\c3cccs3)[nH]2)cc1 c1csc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1cs/c(=N\N=C[*:1])[nH]1
O=[N+]([O-])c1ccc(-c2cs/c(=N\N=C\c3cccs3)[nH]2)cc1 O=[N+]([O-])[*:1] C(=N/N=c1/[nH]c(cs1)-c1ccc(cc1)[*:1])\c1cccs1
Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@H](C)CC2)ccc1F Cc1occc1C(=O)N[*:1] C[C@H]1CCCN(CC1)C(=O)Nc1ccc(F)c(c1)[*:1]
Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@H](C)CC2)ccc1F Cc1occc1[*:1] C[C@H]1CCCN(CC1)C(=O)Nc1ccc(F)c(c1)NC(=O)[*:1]
O=C(Nc1ccc(F)cc1F)c1c[nH]c2cc(F)cc(F)c2c1=O Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])c1c[nH]c2cc(F)cc(F)c2c1=O
CC[C@@H]1CCCCN1C(=O)CN1C[C@H](C)OC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)CN1C[C@H](C)OC[C@H]1[*:1]
Cc1ccc(NC(=O)C[NH+](C)Cc2cc(C)on2)c([N+](=O)[O-])c1 Cc1cc(no1)[*:1] Cc1ccc(NC(=O)C[NH+](C)C[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)C[NH+](C)Cc2cc(C)on2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)C[NH+](C)Cc2cc(C)on2)c(c1)[*:1]
Cc1ccc(NC(=O)C[NH+](C)Cc2cc(C)on2)c([N+](=O)[O-])c1 Cc1cc(C[*:1])no1 Cc1ccc(NC(=O)C[NH+](C)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(-c2nc(CC(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)cs2)cc1 Cc1cccc(c1C)[*:1] COc1ccc(cc1)-c1nc(cs1)CC(=O)N1CCN(CC1)CC(=O)N[*:1]
COc1ccc(-c2nc(CC(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)cs2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)C(=O)Cc2csc(n2)[*:1])c1C
COc1ccc(-c2nc(CC(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)cs2)cc1 Cc1cccc(NC(=O)[*:1])c1C COc1ccc(cc1)-c1nc(cs1)CC(=O)N1CCN(CC1)C[*:1]
Cc1csc(N(C(=O)/C=C/c2ccccc2)c2ccccc2)n1 Cc1csc(n1)[*:1] O=C(/C=C/c1ccccc1)N(c1ccccc1)[*:1]
Cc1csc(N(C(=O)/C=C/c2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N(C(=O)C=C[*:1])c1ccccc1
Cc1csc(N(C(=O)/C=C/c2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N(C(=O)/C=C/c1ccccc1)[*:1]
C=CCn1c(SC2CCCC2)nnc1-c1ccco1 C=CC[*:1] c1coc(c1)-c1nnc(SC2CCCC2)n1[*:1]
C=CCn1c(SC2CCCC2)nnc1-c1ccco1 C1CCC(C1)S[*:1] C=CCn1c(nnc1[*:1])-c1ccco1
C=CCn1c(SC2CCCC2)nnc1-c1ccco1 c1coc(c1)[*:1] C=CCn1c(nnc1[*:1])SC1CCCC1
C=CCn1c(SC2CCCC2)nnc1-c1ccco1 C1CCC(C1)[*:1] C=CCn1c(nnc1-c1ccco1)S[*:1]
CN(C)C(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CN(C)C(=O)CCC[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[*:1]
CN(C)C(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CN(C)C(=O)C[*:1] O=C(CC[*:1])N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
CN(C)C(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CN(C)C(=O)CC[*:1] O=C(C[*:1])N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
CN(C)C(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CN(C)C(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1[*:1]
CN(C)C(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CN(C)C(=O)[*:1] O=C(CCC[*:1])N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
C#CC[C@H](OC(=O)c1ccc(CC)c([N+](=O)[O-])c1)c1ccccn1 O=[N+]([O-])[*:1] C#CC[C@H](OC(=O)c1ccc(CC)c(c1)[*:1])c1ccccn1
C#CC[C@H](OC(=O)c1ccc(CC)c([N+](=O)[O-])c1)c1ccccn1 c1ccc(nc1)[*:1] C#CC[C@H](OC(=O)c1ccc(CC)c(c1)[N+](=O)[O-])[*:1]
C#CC[C@H](OC(=O)c1ccc(CC)c([N+](=O)[O-])c1)c1ccccn1 C#CC[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)O[C@H](c1ccccn1)[*:1]
CC(C)(C)c1ccc(C[C@H](N)C(C)(C)[NH+]2CCCC2)cc1 CC(C)(C)[*:1] CC(C)([C@@H](N)Cc1ccc(cc1)[*:1])[NH+]1CCCC1
CCc1ocnc1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 CCc1ocnc1[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)[*:1]
Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(NCC[NH+]1CCCCC1)C(=O)N[*:1]
O=C(NCC1CCN(c2nsc3ccccc23)CC1)c1cc(-c2ccco2)on1 c1ccc2c(nsc2c1)[*:1] O=C(NCC1CCN(CC1)[*:1])c1cc(on1)-c1ccco1
O=C(NCC1CCN(c2nsc3ccccc23)CC1)c1cc(-c2ccco2)on1 c1coc(c1)[*:1] O=C(NCC1CCN(CC1)c1nsc2ccccc12)c1cc(on1)[*:1]
C[C@H]1CCCCN1C(=O)[C@@H](Cc1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)[C@@H](C[*:1])[NH+](C)C
CC(C)(C)c1ccc(OCCNC(=O)Cn2ccc(=O)[nH]c2=O)cc1 CC(C)(C)[*:1] O=C(Cn1ccc(=O)[nH]c1=O)NCCOc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(OCCNC(=O)Cn2ccc(=O)[nH]c2=O)cc1 O=c1ccn(c(=O)[nH]1)[*:1] CC(C)(C)c1ccc(cc1)OCCNC(=O)C[*:1]
Cc1ccc(NC(=O)CSc2nnc(/C=C/c3ccccc3)c([O-])n2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(C=C[*:1])c([O-])n1
Cc1ccc(NC(=O)CSc2nnc(/C=C/c3ccccc3)c([O-])n2)cc1C Cc1ccc(cc1C)[*:1] O=C(CSc1nnc(/C=C/c2ccccc2)c([O-])n1)N[*:1]
Cc1ccc(NC(=O)CSc2nnc(/C=C/c3ccccc3)c([O-])n2)cc1C C(=C[*:1])c1ccccc1 Cc1ccc(cc1C)NC(=O)CSc1nnc(c([O-])n1)[*:1]
Cc1nccn1-c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1F Cc1nccn1[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(c(F)c1)[*:1]
CCOC(=O)/C=C/C(=O)Nc1ccc(NC(C)=O)cc1 CCOC(=O)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C=C[*:1]
CCOC(=O)/C=C/C(=O)Nc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCOC(=O)/C=C/C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C)c1C O=C([O-])[*:1] Cc1ccc(cc1S(=O)(=O)Nc1cccc(C)c1C)[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3ccc4oc(=O)ccc4c3)cc2C1=O COCCC[*:1] O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3ccc4oc(=O)ccc4c3)cc2C1=O COC[*:1] O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc2C(=O)N(CC[*:1])C(=O)c2c1
COCCCN1C(=O)c2ccc(C(=O)Nc3ccc4oc(=O)ccc4c3)cc2C1=O COCC[*:1] O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1Br COC(=O)[*:1] CC1NC(=O)C[C@@H](C=1[*:1])c1ccccc1Br
CCOC(=O)c1cc(CCC(F)(F)F)ccc1N FC(F)(F)CC[*:1] CCOC(=O)c1cc(ccc1N)[*:1]
CCOC(=O)c1cc(CCC(F)(F)F)ccc1N FC(F)(F)[*:1] CCOC(=O)c1cc(ccc1N)CC[*:1]
CCOC(=O)c1cc(CCC(F)(F)F)ccc1N FC(F)(F)C[*:1] CCOC(=O)c1cc(ccc1N)C[*:1]
CCOC(=O)c1cc(CCC(F)(F)F)ccc1N CCOC(=O)[*:1] Nc1ccc(cc1[*:1])CCC(F)(F)F
CC(C)(C)S(=O)(=O)CCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 CC(C)(C)S(=O)(=O)[*:1] O=C(NCC[*:1])N[C@@H]1C[C@@H]1c1cccc(Cl)c1
CC(C)(C)S(=O)(=O)CCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)(C)S(=O)(=O)CCNC(=O)N[C@@H]1C[C@H]1[*:1]
CC(C)(C)S(=O)(=O)CCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 CC(C)(C)[*:1] O=C(NCCS(=O)(=O)[*:1])N[C@@H]1C[C@@H]1c1cccc(Cl)c1
COc1ccccc1NC(=O)CNC(c1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccccc1NC(=O)CNC(c1ccc(F)cc1)[*:1]
COc1ccccc1NC(=O)CNC(c1ccc(F)cc1)c1ccc(F)cc1 COc1ccccc1[*:1] O=C(CNC(c1ccc(F)cc1)c1ccc(F)cc1)N[*:1]
O=C(C[S@@](=O)C1CCCCC1)Nc1cccc(F)c1 C1CCC(CC1)[*:1] O=C(C[S@@](=O)[*:1])Nc1cccc(F)c1
O=C(c1n[nH]c2ccccc12)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 c1ccc2c(n[nH]c2c1)[*:1] O=C(N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1)[*:1]
O=C(COc1ccc(Cl)cc1Br)Nc1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(COc1ccc(Cl)cc1Br)Nc1cc(ccc1Cl)[*:1]
C#CCNC(=O)c1ccc(N2CCC[C@H](CO)C2)nc1 C#CCNC(=O)[*:1] OC[C@H]1CCCN(C1)c1ccc(cn1)[*:1]
C#CCNC(=O)c1ccc(N2CCC[C@H](CO)C2)nc1 C#CC[*:1] O=C(N[*:1])c1ccc(nc1)N1CCC[C@H](CO)C1
C[C@@]1(C(=O)NCc2ccco2)Sc2ccccc2NC1=O c1coc(c1)[*:1] C[C@]1(Sc2ccccc2NC1=O)C(=O)NC[*:1]
C[C@@]1(C(=O)NCc2ccco2)Sc2ccccc2NC1=O c1coc(c1)C[*:1] C[C@]1(Sc2ccccc2NC1=O)C(=O)N[*:1]
CSc1nc(-c2ccco2)nc(C)c1C(=O)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] CSc1nc(nc(C)c1C(=O)N[*:1])-c1ccco1
CSc1nc(-c2ccco2)nc(C)c1C(=O)NC1CCC(O)CC1 c1coc(c1)[*:1] CSc1nc(nc(C)c1C(=O)NC1CCC(O)CC1)[*:1]
O=C(NCCc1ccc(F)cc1F)c1n[nH]c2ccc([N+](=O)[O-])cc12 Fc1ccc(c(F)c1)[*:1] O=C(NCC[*:1])c1n[nH]c2ccc(cc12)[N+](=O)[O-]
O=C(NCCc1ccc(F)cc1F)c1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(NCCc1ccc(F)cc1F)c1n[nH]c2ccc(cc12)[*:1]
CCCn1ncc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)c1C CCC[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C
CCCn1ncc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)c1C Fc1ccc(cc1)[*:1] CCCn1ncc(C(=O)N[C@H](c2nccn2C)[*:1])c1C
CCCn1ncc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)c1C Cn1ccnc1[*:1] CCCn1ncc(C(=O)N[C@H](c2ccc(F)cc2)[*:1])c1C
CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(-c2cnco2)c1 C1CO[C@H](C1)[*:1] CCN(C[*:1])C(=O)Nc1cccc(c1)-c1cnco1
CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(-c2cnco2)c1 c1ncc(o1)[*:1] CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(c1)[*:1]
CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(-c2cnco2)c1 C1CO[C@H](C1)C[*:1] CCN(C(=O)Nc1cccc(c1)-c1cnco1)[*:1]
O=C(c1ccc(-n2cccc2)nc1)N(Cc1cccnc1)Cc1ccco1 c1cncc(c1)C[*:1] O=C(c1ccc(nc1)-n1cccc1)N(Cc1ccco1)[*:1]
O=C(c1ccc(-n2cccc2)nc1)N(Cc1cccnc1)Cc1ccco1 c1coc(c1)[*:1] O=C(c1ccc(nc1)-n1cccc1)N(Cc1cccnc1)C[*:1]
O=C(c1ccc(-n2cccc2)nc1)N(Cc1cccnc1)Cc1ccco1 c1ccn(c1)[*:1] O=C(c1ccc(nc1)[*:1])N(Cc1cccnc1)Cc1ccco1
O=C(c1ccc(-n2cccc2)nc1)N(Cc1cccnc1)Cc1ccco1 c1coc(c1)C[*:1] O=C(c1ccc(nc1)-n1cccc1)N(Cc1cccnc1)[*:1]
O=C(c1ccc(-n2cccc2)nc1)N(Cc1cccnc1)Cc1ccco1 c1cncc(c1)[*:1] O=C(c1ccc(nc1)-n1cccc1)N(Cc1ccco1)C[*:1]
CC(=O)N(CCC1=c2ccccc2=[NH+][C@@H]1C)[C@@H](C(=O)Nc1c(C)cccc1C)c1ccc(Cl)cc1 Cc1cccc(C)c1NC(=O)[*:1] CC(=O)N(CCC1=c2ccccc2=[NH+][C@@H]1C)[C@@H](c1ccc(Cl)cc1)[*:1]
CC(=O)N(CCC1=c2ccccc2=[NH+][C@@H]1C)[C@@H](C(=O)Nc1c(C)cccc1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N(CCC1=c2ccccc2=[NH+][C@@H]1C)[C@@H](C(=O)Nc1c(C)cccc1C)[*:1]
CC(=O)N(CCC1=c2ccccc2=[NH+][C@@H]1C)[C@@H](C(=O)Nc1c(C)cccc1C)c1ccc(Cl)cc1 Cc1cccc(C)c1[*:1] CC(=O)N(CCC1=c2ccccc2=[NH+][C@@H]1C)[C@@H](C(=O)N[*:1])c1ccc(Cl)cc1
COc1cccc(C(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)c1F Clc1cccc(c1)[*:1] COc1cccc(C(=O)N[C@](C)(C(N)=O)[*:1])c1F
COc1cccc(C(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)c1F NC(=O)[*:1] COc1cccc(C(=O)N[C@](C)(c2cccc(Cl)c2)[*:1])c1F
COc1ccc(-n2c3c(c(=O)n(-c4ccc(OC)cc4)c2=S)C(C)=CC(C)(C)O3)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)-n1c2OC(C)(C)C=C(C)c2c(=O)n(c1=S)[*:1]
COc1ccc(-n2c3c(c(=O)n(-c4ccc(OC)cc4)c2=S)C(C)=CC(C)(C)O3)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)-n1c(=O)c2C(C)=CC(C)(C)Oc2n(c1=S)[*:1]
CC(C)C[NH+](CC(C)C)[C@@H]1CCC[C@](C#N)(NC(C)C)C1 CC(C)[*:1] CC(C)C[NH+](C[*:1])[C@@H]1CCC[C@@](C#N)(C1)NC(C)C
CC(C)C[NH+](CC(C)C)[C@@H]1CCC[C@](C#N)(NC(C)C)C1 CC(C)C[*:1] CC(C)C[NH+]([C@@H]1CCC[C@@](C#N)(C1)NC(C)C)[*:1]
CC(C)C[NH+](CC(C)C)[C@@H]1CCC[C@](C#N)(NC(C)C)C1 CC(C)[*:1] CC(C)C[NH+](CC(C)C)[C@@H]1CCC[C@@](C#N)(C1)N[*:1]
CC(C)C[NH+](CC(C)C)[C@@H]1CCC[C@](C#N)(NC(C)C)C1 CC(C)N[*:1] CC(C)C[NH+](CC(C)C)[C@@H]1CCC[C@](C#N)(C1)[*:1]
COCCOc1ccc([C@@H](C)NC(=O)N2CCC(C)CC2)cc1OC COCC[*:1] COc1cc(ccc1O[*:1])[C@@H](C)NC(=O)N1CCC(C)CC1
COCCOc1ccc([C@@H](C)NC(=O)N2CCC(C)CC2)cc1OC COCCO[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)N1CCC(C)CC1
COCCOc1ccc([C@@H](C)NC(=O)N2CCC(C)CC2)cc1OC COC[*:1] COc1cc(ccc1OC[*:1])[C@@H](C)NC(=O)N1CCC(C)CC1
O=C([O-])C1=CC2=c3ccccc3=[NH+][C@@H]2C(c2ccccc2)=N1 O=C([O-])[*:1] C1=C(N=C(c2ccccc2)[C@H]2[NH+]=c3ccccc3=C12)[*:1]
O=C([O-])C1=CC2=c3ccccc3=[NH+][C@@H]2C(c2ccccc2)=N1 c1ccc(cc1)[*:1] O=C([O-])C1=CC2=c3ccccc3=[NH+][C@@H]2C(=N1)[*:1]
CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)NC(=O)Nc1ccccc1C(=O)N[*:1]
CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 CC(C)[*:1] O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)N[*:1]
CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 CC(C)NC(=O)N[*:1] O=C(Nc1ccc(F)cc1)c1ccccc1[*:1]
O=C(CCc1ccc2c(c1)OCO2)N/N=C/c1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] O=C(CCc1ccc2OCOc2c1)NN=C[*:1]
O=C(Cc1ccsc1)Nc1nc(-c2cccs2)cs1 c1cc(cs1)C[*:1] O=C(Nc1nc(cs1)-c1cccs1)[*:1]
O=C(Cc1ccsc1)Nc1nc(-c2cccs2)cs1 c1csc(c1)[*:1] O=C(Cc1ccsc1)Nc1nc(cs1)[*:1]
O=C(Cc1ccsc1)Nc1nc(-c2cccs2)cs1 c1cc(cs1)[*:1] O=C(C[*:1])Nc1nc(cs1)-c1cccs1
CCOc1cc(C)ccc1NC(=O)c1ccc2c(c1)NC(=O)CS2 CCO[*:1] Cc1ccc(NC(=O)c2ccc3SCC(=O)Nc3c2)c(c1)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)C1=C(CC(C)(C)CC1=O)N2 Cc1cccc(c1)[*:1] C=CCSc1nc2NC3CC(C)(C)CC(=O)C=3[C@@H](c2c(=O)[nH]1)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)C1=C(CC(C)(C)CC1=O)N2 C=CCS[*:1] Cc1cccc(c1)[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2nc([nH]c(=O)c21)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)C1=C(CC(C)(C)CC1=O)N2 C=CC[*:1] Cc1cccc(c1)[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2nc([nH]c(=O)c21)S[*:1]
COc1ccc([C@H](C)C(=O)N(CCC(F)(F)F)C2CCC2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H](C)C(=O)N(CC[*:1])C1CCC1
COc1ccc([C@H](C)C(=O)N(CCC(F)(F)F)C2CCC2)cc1 FC(F)(F)C[*:1] COc1ccc(cc1)[C@H](C)C(=O)N(C[*:1])C1CCC1
COc1ccc([C@H](C)C(=O)N(CCC(F)(F)F)C2CCC2)cc1 C1CC(C1)[*:1] COc1ccc(cc1)[C@H](C)C(=O)N(CCC(F)(F)F)[*:1]
COc1ccc([C@H](C)C(=O)N(CCC(F)(F)F)C2CCC2)cc1 FC(F)(F)CC[*:1] COc1ccc(cc1)[C@H](C)C(=O)N(C1CCC1)[*:1]
O=C(Cc1cccs1)NCCCC[NH+]1CCCC1 c1csc(c1)[*:1] O=C(C[*:1])NCCCC[NH+]1CCCC1
O=C(Cc1cccs1)NCCCC[NH+]1CCCC1 c1csc(c1)C[*:1] O=C(NCCCC[NH+]1CCCC1)[*:1]
c1ccc(CN(Cc2ccc[nH+]c2N2CCOCC2)C[C@@H]2CCCO2)nc1 c1ccc(nc1)[*:1] c1c[nH+]c(c(c1)CN(C[C@@H]1CCCO1)C[*:1])N1CCOCC1
c1ccc(CN(Cc2ccc[nH+]c2N2CCOCC2)C[C@@H]2CCCO2)nc1 C1CO[C@@H](C1)C[*:1] c1ccc(CN(Cc2ccc[nH+]c2N2CCOCC2)[*:1])nc1
c1ccc(CN(Cc2ccc[nH+]c2N2CCOCC2)C[C@@H]2CCCO2)nc1 C1CO[C@@H](C1)[*:1] c1ccc(CN(Cc2ccc[nH+]c2N2CCOCC2)C[*:1])nc1
c1ccc(CN(Cc2ccc[nH+]c2N2CCOCC2)C[C@@H]2CCCO2)nc1 C1CN(CCO1)[*:1] c1ccc(CN(Cc2ccc[nH+]c2[*:1])C[C@@H]2CCCO2)nc1
c1ccc(CN(Cc2ccc[nH+]c2N2CCOCC2)C[C@@H]2CCCO2)nc1 c1ccc(C[*:1])nc1 c1c[nH+]c(c(c1)CN(C[C@@H]1CCCO1)[*:1])N1CCOCC1
C[NH+](C)[C@@H](CNC(=O)NC[C@H](O)c1ccco1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[C@H](O)c1ccco1)[*:1]
C[NH+](C)[C@@H](CNC(=O)NC[C@H](O)c1ccco1)c1ccco1 O[C@H](c1ccco1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[*:1])c1ccco1
C[NH+](C)[C@@H](CNC(=O)NC[C@H](O)c1ccco1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[C@H](O)[*:1])c1ccco1
COc1ccc(N(C(=O)COc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)N(C(=O)CO[*:1])[C@@H]1C=CS(=O)(=O)C1
COc1ccc(N(C(=O)COc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 c1ccc(cc1)OC[*:1] COc1ccc(c(c1)OC)N(C(=O)[*:1])[C@@H]1C=CS(=O)(=O)C1
COc1ccc(N(C(=O)COc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 c1ccc(cc1)O[*:1] COc1ccc(c(c1)OC)N(C(=O)C[*:1])[C@@H]1C=CS(=O)(=O)C1
CCN(CC)C(=O)C1CCN(C(=O)C(=O)Nc2cc(C)cc3cccnc23)CC1 CCN(CC)C(=O)[*:1] Cc1cc(NC(=O)C(=O)N2CCC(CC2)[*:1])c2ncccc2c1
CC[C@H]([NH3+])C[C@@H](Cc1ccccc1)C(N)=O NC(=O)[*:1] CC[C@H]([NH3+])C[C@@H](Cc1ccccc1)[*:1]
C=CCN(CC=C)C(=O)NCC(=O)Nc1ccc(Cl)cc1 C=CC[*:1] C=CCN(C(=O)NCC(=O)Nc1ccc(Cl)cc1)[*:1]
C=CCN(CC=C)C(=O)NCC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C=CCN(CC=C)C(=O)NCC(=O)N[*:1]
Cc1ccc(=O)n([C@H](C)C(=O)N(Cc2ccccc2)c2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1ccc(=O)n(n1)[C@H](C)C(=O)N(c1ccccc1)[*:1]
Cc1ccc(=O)n([C@H](C)C(=O)N(Cc2ccccc2)c2ccccc2)n1 Cc1ccc(=O)n(n1)[*:1] C[C@H](C(=O)N(Cc1ccccc1)c1ccccc1)[*:1]
Cc1ccc(=O)n([C@H](C)C(=O)N(Cc2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccc(=O)n(n1)[C@H](C)C(=O)N(C[*:1])c1ccccc1
Cc1ccc(=O)n([C@H](C)C(=O)N(Cc2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccc(=O)n(n1)[C@H](C)C(=O)N(Cc1ccccc1)[*:1]
Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C[NH+]3CCCC3)C2)c1 Cc1cccc(c1)[*:1] O=C([O-])c1ccc(c(c1)NS(=O)(=O)[*:1])N1CCC[C@@H](C1)C[NH+]1CCCC1
Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C[NH+]3CCCC3)C2)c1 O=C([O-])[*:1] Cc1cccc(c1)S(=O)(=O)Nc1cc(ccc1N1CCC[C@@H](C1)C[NH+]1CCCC1)[*:1]
CC[C@H]1CCCN(C(=O)[C@H](NC(=O)c2cccs2)C(C)C)C1 CC(C)[*:1] CC[C@H]1CCCN(C1)C(=O)[C@H](NC(=O)c1cccs1)[*:1]
CC[C@H]1CCCN(C(=O)[C@H](NC(=O)c2cccs2)C(C)C)C1 c1csc(c1)[*:1] CC[C@H]1CCCN(C1)C(=O)[C@H](NC(=O)[*:1])C(C)C
O=c1ccc(-c2ccc3c(c2)OCO3)nn1CCC1OCCO1 C1COC(O1)[*:1] O=c1ccc(nn1CC[*:1])-c1ccc2OCOc2c1
O=c1ccc(-c2ccc3c(c2)OCO3)nn1CCC1OCCO1 C1COC(CC[*:1])O1 O=c1ccc(nn1[*:1])-c1ccc2OCOc2c1
O=c1ccc(-c2ccc3c(c2)OCO3)nn1CCC1OCCO1 C1COC(C[*:1])O1 O=c1ccc(nn1C[*:1])-c1ccc2OCOc2c1
CCc1cc2c(=O)c(-c3ccccc3)c(C)oc2cc1OC(C)=O CC(=O)O[*:1] CCc1cc2c(=O)c(-c3ccccc3)c(C)oc2cc1[*:1]
CCc1cc2c(=O)c(-c3ccccc3)c(C)oc2cc1OC(C)=O c1ccc(cc1)[*:1] CCc1cc2c(=O)c(c(C)oc2cc1OC(C)=O)[*:1]
C[C@H](OC(=O)Cc1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@H](OC(=O)Cc1ccccc1F)c1nnc(o1)[*:1]
C[C@H](OC(=O)Cc1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 Fc1ccccc1C[*:1] C[C@H](OC(=O)[*:1])c1nnc(o1)-c1ccc(cc1)[N+](=O)[O-]
C[C@H](OC(=O)Cc1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 Fc1ccccc1[*:1] C[C@H](OC(=O)C[*:1])c1nnc(o1)-c1ccc(cc1)[N+](=O)[O-]
C[C@H](OC(=O)Cc1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] C[C@H](OC(=O)Cc1ccccc1F)c1nnc(o1)-c1ccc(cc1)[*:1]
C[C@@H]1CCC[C@@H](C)C1NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)N[C@@H](C[*:1])c1ccccc1
C[C@@H]1CCC[C@@H](C)C1NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)C[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)N[C@@H](c1ccccc1)[*:1]
C[C@@H]1CCC[C@@H](C)C1NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)N[C@@H](CS(C)(=O)=O)[*:1]
C[C@H]1CN(Cc2ccnn2C)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(Cc2ccnn2C)C[C@H](O1)[*:1]
C[C@H]1CN(Cc2ccnn2C)C[C@H](c2ccccc2)O1 Cn1nccc1[*:1] C[C@H]1CN(C[C@@H](O1)c1ccccc1)C[*:1]
O=S(=O)(Cc1cc(Cl)ccc1F)N(Cc1ccccn1)c1ccncc1 c1cc(ccn1)[*:1] O=S(=O)(Cc1cc(Cl)ccc1F)N(Cc1ccccn1)[*:1]
O=S(=O)(Cc1cc(Cl)ccc1F)N(Cc1ccccn1)c1ccncc1 Fc1ccc(Cl)cc1[*:1] O=S(=O)(C[*:1])N(Cc1ccccn1)c1ccncc1
O=S(=O)(Cc1cc(Cl)ccc1F)N(Cc1ccccn1)c1ccncc1 c1ccc(C[*:1])nc1 O=S(=O)(Cc1cc(Cl)ccc1F)N(c1ccncc1)[*:1]
O=S(=O)(Cc1cc(Cl)ccc1F)N(Cc1ccccn1)c1ccncc1 c1ccc(nc1)[*:1] O=S(=O)(Cc1cc(Cl)ccc1F)N(C[*:1])c1ccncc1
C/C(=N/O)c1cc(F)ccc1OCc1c(Cl)cccc1Cl CC(=NO)[*:1] Fc1ccc(OCc2c(Cl)cccc2Cl)c(c1)[*:1]
CCc1ccccc1NCc1c(C(C)C)nn(C)c1N1CCOCC1 CCc1ccccc1[*:1] CC(C)c1nn(C)c(c1CN[*:1])N1CCOCC1
CCc1ccccc1NCc1c(C(C)C)nn(C)c1N1CCOCC1 C1CN(CCO1)[*:1] CCc1ccccc1NCc1c(nn(C)c1[*:1])C(C)C
CCc1ccccc1NCc1c(C(C)C)nn(C)c1N1CCOCC1 CC(C)[*:1] CCc1ccccc1NCc1c(nn(C)c1N1CCOCC1)[*:1]
CNC(=O)c1ccc(NC(=O)Nc2cccc(SC)c2)cc1 CNC(=O)[*:1] CSc1cccc(c1)NC(=O)Nc1ccc(cc1)[*:1]
COC(=O)[C@@H]1CN(C(=O)[C@@H]2CSc3ccccc32)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)[C@@H]1CSc2ccccc21
COc1ccc2nc(NCc3cc(C)on3)sc2c1 Cc1cc(no1)[*:1] COc1ccc2nc(NC[*:1])sc2c1
C[NH+](C1CCCC1)C(C)(C)C(=O)NNc1cc(C#N)cc(Cl)n1 C1CCC(C1)[*:1] C[NH+](C(C)(C)C(=O)NNc1cc(C#N)cc(Cl)n1)[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N(C)CC(C)(C)C)n1 CC(C)(C)C[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N(C)[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N(C)CC(C)(C)C)n1 CC(C)(C)[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N(C)C[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N(C)CC(C)(C)C)n1 Cc1nc(C)n(n1)[*:1] CN(CC(C)(C)C)C(=O)Nc1ccccc1[*:1]
C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 C[NH+](C)CC[*:1] C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(CC1)[*:1]
C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(CC[NH+](C)C)CC1 Clc1ccc(cc1)[*:1] C[C@H](C[*:1])[NH2+]C1CCN(CC1)CC[NH+](C)C
N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)OC[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1c1ccc(F)cc1)OC(=O)[*:1]
N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)O[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1c1ccc(F)cc1)OC(=O)C[*:1]
N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1[*:1])OC(=O)COc1ccc(F)cc1
N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1c1ccc(F)cc1)OC(=O)CO[*:1]
FC(F)(F)c1ccc(N[C@@H]2N=NC(=S)S2)cc1 FC(F)(F)[*:1] S=C1N=N[C@@H](Nc2ccc(cc2)[*:1])S1
COc1cccc(C2=NN(Cc3ccccc3)c3nc4c(c(=O)n(C)c(=O)n4C)n3C2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)C1Cn2c(nc3c2c(=O)n(C)c(=O)n3C)N(N=1)[*:1]
COc1cccc(C2=NN(Cc3ccccc3)c3nc4c(c(=O)n(C)c(=O)n4C)n3C2)c1 COc1cccc(c1)[*:1] Cn1c(=O)c2c(nc3N(Cc4ccccc4)N=C(Cn32)[*:1])n(C)c1=O
COc1cccc(C2=NN(Cc3ccccc3)c3nc4c(c(=O)n(C)c(=O)n4C)n3C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C1Cn2c(nc3c2c(=O)n(C)c(=O)n3C)N(C[*:1])N=1
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2cccc(O)c2)c1 CC(=O)N[*:1] C/C(=N\NC(=O)c1cccc(O)c1)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2cccc(O)c2)c1 Oc1cccc(c1)[*:1] CC(=O)Nc1cccc(c1)/C(C)=N/NC(=O)[*:1]
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H](O)C1 CCC[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)C(=O)Nc1cc(Cl)ccc1O[*:1]
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H](O)C1 CCCO[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)C(=O)Nc1cc(Cl)ccc1[*:1]
CCOc1ccc2sc(NC(=O)c3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@H]5C4=O)cc3)nc2c1 CCO[*:1] O=C(Nc1nc2cc(ccc2s1)[*:1])c1ccc(cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O
C[C@@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O c1ncn(C[*:1])n1 C[C@@H](CO)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)[*:1]
C[C@@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O c1ncn(n1)[*:1] C[C@@H](CO)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)C[*:1]
C[C@@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O C[C@@H](CO)NC(=O)[*:1] O=C1c2ccc(cc2C(=O)N1c1ccc(cc1)Cn1cncn1)[*:1]
O=[N+]([O-])c1ccc(CN2CCN(CCn3cc[nH+]c3)CC2)cc1 O=[N+]([O-])[*:1] c1cn(c[nH+]1)CCN1CCN(CC1)Cc1ccc(cc1)[*:1]
O=C(Nc1ccc(C[NH2+]Cc2ccccn2)cc1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)C[NH2+]Cc1ccccn1)[*:1]
O=C(Nc1ccc(C[NH2+]Cc2ccccn2)cc1)c1ccco1 c1ccc(nc1)[*:1] O=C(Nc1ccc(cc1)C[NH2+]C[*:1])c1ccco1
O=C(Nc1ccc(C[NH2+]Cc2ccccn2)cc1)c1ccco1 c1ccc(C[*:1])nc1 O=C(Nc1ccc(cc1)C[NH2+][*:1])c1ccco1
CC1CCC(C)(NC(=O)NCc2nccn2Cc2ccccc2)CC1 CC1CCC(C)(CC1)[*:1] O=C(NCc1nccn1Cc1ccccc1)N[*:1]
CC1CCC(C)(NC(=O)NCc2nccn2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC1CCC(C)(CC1)NC(=O)NCc1nccn1[*:1]
CC1CCC(C)(NC(=O)NCc2nccn2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC1CCC(C)(CC1)NC(=O)NCc1nccn1C[*:1]
CCC(CC)[C@@H](O)CNC(=O)c1nc2ccccc2c(=O)[nH]1 CCC(CC)[*:1] O=C(NC[C@H](O)[*:1])c1nc2ccccc2c(=O)[nH]1
CCCCC[C@@H](C)NC(=O)Cn1cc(Cl)c(=O)[nH]c1=O CCC[*:1] C[C@H](CC[*:1])NC(=O)Cn1cc(Cl)c(=O)[nH]c1=O
CCCCC[C@@H](C)NC(=O)Cn1cc(Cl)c(=O)[nH]c1=O CCCC[*:1] C[C@H](C[*:1])NC(=O)Cn1cc(Cl)c(=O)[nH]c1=O
CCCCC[C@@H](C)NC(=O)Cn1cc(Cl)c(=O)[nH]c1=O CCCCC[*:1] C[C@@H](NC(=O)Cn1cc(Cl)c(=O)[nH]c1=O)[*:1]
Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@H](c1cccs1)C2 c1ccc(cc1)N[*:1] Cc1nc(nc2C[C@H](CC(=O)c12)c1cccs1)[*:1]
Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@H](c1cccs1)C2 c1ccc(cc1)[*:1] Cc1nc(nc2C[C@H](CC(=O)c12)c1cccs1)N[*:1]
Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@H](c1cccs1)C2 c1csc(c1)[*:1] Cc1nc(nc2C[C@@H](CC(=O)c12)[*:1])Nc1ccccc1
CCOc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1Br CCO[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(c(Br)c1)[*:1]
NC1=[NH+]C[C@H](c2ccc(Cl)cc2)N1Cc1cccs1 c1csc(c1)C[*:1] NC1=[NH+]C[C@H](c2ccc(Cl)cc2)N1[*:1]
NC1=[NH+]C[C@H](c2ccc(Cl)cc2)N1Cc1cccs1 c1csc(c1)[*:1] NC1=[NH+]C[C@H](c2ccc(Cl)cc2)N1C[*:1]
CCCC(=O)NCCc1n[nH]c(Cc2ccc(C)cc2)n1 CCC[*:1] Cc1ccc(cc1)Cc1nc(CCNC(=O)[*:1])n[nH]1
CCCC(=O)NCCc1n[nH]c(Cc2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCCC(=O)NCCc1n[nH]c(C[*:1])n1
CCCC(=O)NCCc1n[nH]c(Cc2ccc(C)cc2)n1 CCCC(=O)N[*:1] Cc1ccc(cc1)Cc1nc(CC[*:1])n[nH]1
CCCC(=O)NCCc1n[nH]c(Cc2ccc(C)cc2)n1 CCCC(=O)NC[*:1] Cc1ccc(cc1)Cc1nc(C[*:1])n[nH]1
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(C)(C)C[NH3+] CC(C)[*:1] C[C@@H]1CC[C@H]([C@@H](C1)OCC(C)(C)C[NH3+])[*:1]
Cc1ccc(NC(=O)C(=O)N2CC[C@H]([N+]3=CCCC3)C2)cc1-n1cnnn1 c1nnnn1[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)N1CC[C@@H](C1)[N+]1=CCCC1
CCNc1nnc(S[C@@H](C)C(=O)NC[C@H]2CCCO2)s1 C1CO[C@H](C1)C[*:1] CCNc1nnc(S[C@@H](C)C(=O)N[*:1])s1
CCNc1nnc(S[C@@H](C)C(=O)NC[C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] CCNc1nnc(S[C@@H](C)C(=O)NC[*:1])s1
CCNc1nnc(S[C@@H](C)C(=O)NC[C@H]2CCCO2)s1 CCN[*:1] C[C@H](Sc1nnc(s1)[*:1])C(=O)NC[C@H]1CCCO1
O=C([O-])CCCOc1ccccc1 O=C([O-])[*:1] c1ccc(cc1)OCCC[*:1]
O=C([O-])CCCOc1ccccc1 O=C([O-])C[*:1] c1ccc(cc1)OCC[*:1]
CC[C@@H](O)CC[NH2+][C@H](c1ccccc1)C(C)C CC[C@@H](O)[*:1] CC(C)[C@H]([NH2+]CC[*:1])c1ccccc1
CC[C@@H](O)CC[NH2+][C@H](c1ccccc1)C(C)C CC[C@@H](O)C[*:1] CC(C)[C@H]([NH2+]C[*:1])c1ccccc1
CC[C@@H](O)CC[NH2+][C@H](c1ccccc1)C(C)C CC(C)[*:1] CC[C@@H](O)CC[NH2+][C@H](c1ccccc1)[*:1]
Oc1cccc2ccc(CN(Cc3ccccn3)C[C@H]3CCCO3)nc12 c1ccc(C[*:1])nc1 Oc1cccc2ccc(CN(C[C@H]3CCCO3)[*:1])nc12
Oc1cccc2ccc(CN(Cc3ccccn3)C[C@H]3CCCO3)nc12 c1ccc(nc1)[*:1] Oc1cccc2ccc(CN(C[C@H]3CCCO3)C[*:1])nc12
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1cccc(OCc2cscn2)c1 c1nc(cs1)CO[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1cccc(OCc2cscn2)c1 c1nc(cs1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1cccc(c1)OC[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1cccc(OCc2cscn2)c1 Cc1n[nH]c(C)c1C[*:1] C[C@@H](C(=O)Nc1cccc(c1)OCc1cscn1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1cccc(OCc2cscn2)c1 c1nc(cs1)C[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1cccc(c1)O[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1cccc(OCc2cscn2)c1 Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)Nc1cccc(c1)OCc1cscn1
Cc1csc(/C(C#N)=N/OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)n1 Cc1csc(n1)[*:1] CC1(C)[C@]2(C)CC[C@]1(OC2=O)C(=O)ON=C(C#N)[*:1]
COc1ccc(/C=C/C(=O)Nc2cc(C)nn2-c2nc(-c3ccco3)cs2)cc1OC c1coc(c1)-c1csc(n1)[*:1] COc1ccc(/C=C/C(=O)Nc2cc(C)nn2[*:1])cc1OC
COc1ccc(/C=C/C(=O)Nc2cc(C)nn2-c2nc(-c3ccco3)cs2)cc1OC c1coc(c1)[*:1] COc1ccc(/C=C/C(=O)Nc2cc(C)nn2-c2nc(cs2)[*:1])cc1OC
COc1ccc(/C=C/C(=O)Nc2cc(C)nn2-c2nc(-c3ccco3)cs2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(NC(=O)C=C[*:1])n(n1)-c1nc(cs1)-c1ccco1
CCOc1cccc(C(=N)NC(=O)c2cccc(CC#N)c2)c1 N#CC[*:1] CCOc1cccc(c1)C(=N)NC(=O)c1cccc(c1)[*:1]
CCOc1cccc(C(=N)NC(=O)c2cccc(CC#N)c2)c1 CCO[*:1] N#CCc1cccc(c1)C(=O)NC(=N)c1cccc(c1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cccc2)CC1 Clc1ccc(cc1)[*:1] O=S(=O)(N1CCC(CC1)n1cccc1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cccc2)CC1 c1ccn(c1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC(CC1)[*:1]
Cc1cccc(SCC(=O)NC2CCCC2)c1N C1CCC(C1)[*:1] Cc1cccc(SCC(=O)N[*:1])c1N
CC(C)n1ncnc1Cn1ccc([C@@H](O)C2CC2)c1 O[C@@H](C1CC1)[*:1] CC(C)n1ncnc1Cn1ccc(c1)[*:1]
CC(C)n1ncnc1Cn1ccc([C@@H](O)C2CC2)c1 C1CC1[*:1] CC(C)n1ncnc1Cn1ccc(c1)[C@@H](O)[*:1]
CC(C)n1ncnc1Cn1ccc([C@@H](O)C2CC2)c1 CC(C)[*:1] O[C@H](c1ccn(c1)Cc1ncnn1[*:1])C1CC1
Cc1ccc(O)c(NC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)c1 c1ccc(cc1)OC[*:1] Cc1ccc(O)c(c1)NC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccc(O)c(NC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)c1 c1ccc(cc1)O[*:1] Cc1ccc(O)c(c1)NC(=O)[C@H]1CCCN(C1)C(=O)CC[*:1]
Cc1ccc(O)c(NC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)c1 c1ccc(cc1)OCC[*:1] Cc1ccc(O)c(c1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(O)c(NC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cc1ccc(O)c(c1)NC(=O)[C@H]1CCCN(C1)C(=O)CCO[*:1]
Cc1ccc(O)c(NC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)c1 Cc1ccc(O)c(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)CCOc1ccccc1
C[C@@H]1CN(CCC/[NH+]=C(/N)Nc2ccccc2Cl)C[C@@H](C)O1 Clc1ccccc1[*:1] C[C@@H]1CN(CCC/[NH+]=C(/N)N[*:1])C[C@@H](C)O1
Cn1cc(C#N)cc1C(=O)OC[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] Cn1cc(C#N)cc1C(=O)OC[C@@H]1CC(=O)N(C1)[*:1]
Cn1cc(C#N)cc1C(=O)OC[C@@H]1CC(=O)N(CCc2ccccc2)C1 Cn1cc(C#N)cc1[*:1] O=C1C[C@@H](COC(=O)[*:1])CN1CCc1ccccc1
Cn1cc(C#N)cc1C(=O)OC[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] Cn1cc(C#N)cc1C(=O)OC[C@@H]1CC(=O)N(CC[*:1])C1
Cn1cc(C#N)cc1C(=O)OC[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] Cn1cc(C#N)cc1C(=O)OC[C@@H]1CC(=O)N(C1)C[*:1]
Cc1cccc(C)c1OCC(=O)n1nc(C)c(CC(C)C)c1C CC(C)C[*:1] Cc1cccc(C)c1OCC(=O)n1nc(C)c(c1C)[*:1]
Cc1cccc(C)c1OCC(=O)n1nc(C)c(CC(C)C)c1C CC(C)[*:1] Cc1cccc(C)c1OCC(=O)n1nc(C)c(C[*:1])c1C
NC(=O)c1ccnc(N2CCC(Oc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] NC(=O)c1ccnc(c1)N1CCC(CC1)O[*:1]
NC(=O)c1ccnc(N2CCC(Oc3ccc(F)cc3)CC2)c1 NC(=O)[*:1] Fc1ccc(cc1)OC1CCN(CC1)c1cc(ccn1)[*:1]
CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O Cc1ccc(cc1)[*:1] CC[C@H](C(=O)NC[*:1])N(c1ccc(C)cc1)S(C)(=O)=O
CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O Cc1ccc(cc1)[*:1] CC[C@H](C(=O)NCc1ccc(C)cc1)N(S(C)(=O)=O)[*:1]
CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O Cc1ccc(cc1)C[*:1] CC[C@H](C(=O)N[*:1])N(c1ccc(C)cc1)S(C)(=O)=O
CCn1ccnc(N2CCC[C@@H](C(=O)NC)C2)c1=O CNC(=O)[*:1] CCn1ccnc(c1=O)N1CCC[C@@H](C1)[*:1]
CC[C@H](CC1CCCC1)C(=O)Nc1cc(C(=O)N(C)C)ccc1C C1CCC(C1)C[*:1] CC[C@H](C(=O)Nc1cc(ccc1C)C(=O)N(C)C)[*:1]
CC[C@H](CC1CCCC1)C(=O)Nc1cc(C(=O)N(C)C)ccc1C CN(C)C(=O)[*:1] CC[C@H](CC1CCCC1)C(=O)Nc1cc(ccc1C)[*:1]
CC[C@H](CC1CCCC1)C(=O)Nc1cc(C(=O)N(C)C)ccc1C C1CCC(C1)[*:1] CC[C@H](C[*:1])C(=O)Nc1cc(ccc1C)C(=O)N(C)C
CC(C)C(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1 CC(C)C(=O)N[*:1] c1ccc2c(c[nH]c2c1)Cc1nnc(s1)[*:1]
CC(C)C(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1 CC(C)[*:1] O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)[*:1]
COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccc(OC)c3OC(C)=O)cc2C1=O COc1ccccc1[*:1] COc1cccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)[*:1])c1OC(C)=O
COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccc(OC)c3OC(C)=O)cc2C1=O CC(=O)O[*:1] COc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1cccc(OC)c1[*:1]
Cc1ccc(NC(=O)N2CCC(c3nnc(-c4ccco4)o3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])N1CCC(CC1)c1nnc(o1)-c1ccco1
Cc1ccc(NC(=O)N2CCC(c3nnc(-c4ccco4)o3)CC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)NC(=O)N1CCC(CC1)c1nnc(o1)[*:1]
CCNC(=O)c1ccc(OC(=O)c2cc(COC)on2)cc1 COC[*:1] CCNC(=O)c1ccc(cc1)OC(=O)c1cc(on1)[*:1]
CCNC(=O)c1ccc(OC(=O)c2cc(COC)on2)cc1 CCNC(=O)[*:1] COCc1cc(no1)C(=O)Oc1ccc(cc1)[*:1]
CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(C(N)=O)CC1 Clc1ccc(cc1Cl)[*:1] CC(C)N(C[*:1])C(=O)C1CCN(CC1)C(N)=O
CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(C(N)=O)CC1 CC(C)[*:1] NC(=O)N1CCC(CC1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)[*:1]
Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1=O O=S(=O)(NC1CC1)[*:1] Cn1ccc(cc1=O)C(=O)Nc1ccc(cc1)[*:1]
Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1=O C1CC1[*:1] Cn1ccc(cc1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1=O Cn1ccc(cc1=O)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
CC(C)c1nn(C)c(Cl)c1CNCC(C)(C)[NH+]1CCCCC1 CC(C)[*:1] Cn1nc(c(CNCC(C)(C)[NH+]2CCCCC2)c1Cl)[*:1]
CC(=O)NN/C(C)=C/C(=O)Nc1cccc(C)c1C CC(=O)NN[*:1] CC(=CC(=O)Nc1cccc(C)c1C)[*:1]
CCOC(=O)C1(C)CCN(CN2C(=O)C[C@@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)CN1C(=O)C[C@H]1[*:1]
CCOC(=O)C1(C)CCN(CN2C(=O)C[C@@H]2c2ccccc2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)CN1C(=O)C[C@@H]1c1ccccc1)[*:1]
C[C@@H](C(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)[NH+](C)C CC(C)(C)O[*:1] C[C@@H](C(=O)NCc1ccc(cc1C(F)(F)F)[*:1])[NH+](C)C
C[C@@H](C(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)[NH+](C)C FC(F)(F)[*:1] C[C@@H](C(=O)NCc1ccc(cc1[*:1])OC(C)(C)C)[NH+](C)C
C[C@@H](C(=O)NCc1ccc(OC(C)(C)C)cc1C(F)(F)F)[NH+](C)C CC(C)(C)[*:1] C[C@@H](C(=O)NCc1ccc(cc1C(F)(F)F)O[*:1])[NH+](C)C
COCCn1c(C)cc(CN2CCC[C@H](c3nncn3C)C2)c1C COC[*:1] Cc1cc(CN2CCC[C@@H](C2)c2nncn2C)c(C)n1C[*:1]
COCCn1c(C)cc(CN2CCC[C@H](c3nncn3C)C2)c1C Cn1cnnc1[*:1] COCCn1c(C)cc(CN2CCC[C@H](C2)[*:1])c1C
COCCn1c(C)cc(CN2CCC[C@H](c3nncn3C)C2)c1C COCC[*:1] Cc1cc(CN2CCC[C@@H](C2)c2nncn2C)c(C)n1[*:1]
C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)n1nc(-n2cccn2)ccc1=O c1ccc(cc1)[*:1] C[C@H](C(=O)NC(c1ccccc1)[*:1])n1nc(ccc1=O)-n1cccn1
C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)n1nc(-n2cccn2)ccc1=O c1cnn(c1)[*:1] C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)n1nc(ccc1=O)[*:1]
O=C(Nc1cccc2cn[nH]c12)c1ccc(-n2cncn2)nc1 c1ncn(n1)[*:1] O=C(Nc1cccc2cn[nH]c12)c1ccc(nc1)[*:1]
CCOc1ccc([C@@H]2[C@H](C(N)=O)C(C)=Nc3nnnn32)cc1 CCO[*:1] CC1=Nc2nnnn2[C@H](c2ccc(cc2)[*:1])[C@@H]1C(N)=O
CCOc1ccc([C@@H]2[C@H](C(N)=O)C(C)=Nc3nnnn32)cc1 NC(=O)[*:1] CCOc1ccc(cc1)[C@@H]1[C@H](C(C)=Nc2nnnn21)[*:1]
Clc1ccc(C2=NN=C(NC[C@H]3CCCO3)SC2)cc1Cl C1CO[C@H](C1)[*:1] Clc1ccc(cc1Cl)C1CSC(=NN=1)NC[*:1]
Clc1ccc(C2=NN=C(NC[C@H]3CCCO3)SC2)cc1Cl C1CO[C@H](C1)C[*:1] Clc1ccc(cc1Cl)C1CSC(=NN=1)N[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)c3[nH]nc4c3CCCC4)c2)n1 CCc1noc(n1)[*:1] Cc1ccc(cc1NC(=O)c1[nH]nc2CCCCc21)[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N(Cc2ccccc2F)C2CC2)c1 CO[C@H](C)C(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])N(Cc1ccccc1F)C1CC1
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N(Cc2ccccc2F)C2CC2)c1 Fc1ccccc1C[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)NC(=O)N(C1CC1)[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N(Cc2ccccc2F)C2CC2)c1 C1CC1[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)NC(=O)N(Cc1ccccc1F)[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N(Cc2ccccc2F)C2CC2)c1 Fc1ccccc1[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)NC(=O)N(C[*:1])C1CC1
CC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 FC(F)(F)C[*:1] CC[NH2+][C@@H](C[*:1])[C@@H]1CCC[C@@H](C1)S(C)(=O)=O
CC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 FC(F)(F)[*:1] CC[NH2+][C@@H](CC[*:1])[C@@H]1CCC[C@@H](C1)S(C)(=O)=O
CC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1CCC[C@H](C1)[*:1]
CC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 FC(F)(F)CC[*:1] CC[NH2+][C@@H]([C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
C[C@H](CC(=O)[O-])NC(=O)Cn1nc2ccccn2c1=O O=C([O-])C[*:1] C[C@H](NC(=O)Cn1nc2ccccn2c1=O)[*:1]
C[C@H](CC(=O)[O-])NC(=O)Cn1nc2ccccn2c1=O O=C([O-])[*:1] C[C@H](C[*:1])NC(=O)Cn1nc2ccccn2c1=O
COCc1nc2cc(Cl)ccc2[nH]1 COC[*:1] Clc1ccc2[nH]c(nc2c1)[*:1]
Cc1ccc(C(C)C)cc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] Cc1ccc(cc1OCC(=O)N[C@H]1CCS(=O)(=O)C1)[*:1]
C[C@H]1CN(C[C@H](O)COCc2ccccc2F)C[C@H](C)O1 Fc1ccccc1[*:1] C[C@H]1CN(C[C@H](O)COC[*:1])C[C@H](C)O1
C[C@H]1CCC[C@]2(C[NH+]=C(N)N2C2CC2)C1 C1CC1[*:1] C[C@H]1CCC[C@]2(C[NH+]=C(N)N2[*:1])C1
O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)Nc1cccc(F)c1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)Nc1cccc(F)c1
O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccc2OCOc2c1)[C@H]1CCCN1C(=O)N[*:1]
COCc1cc(=O)[nH]c(Nc2ccc(F)c(C)c2)n1 COC[*:1] Cc1cc(ccc1F)Nc1nc(cc(=O)[nH]1)[*:1]
CN(CC(=O)N1CCc2ccccc21)Cc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CN(CC(=O)N1CCc2ccccc21)C[*:1]
CCCOc1ccc(CNC(=O)c2cnn(C(C)C)c2C)cn1 CCC[*:1] Cc1c(cnn1C(C)C)C(=O)NCc1ccc(nc1)O[*:1]
CCCOc1ccc(CNC(=O)c2cnn(C(C)C)c2C)cn1 CCCO[*:1] Cc1c(cnn1C(C)C)C(=O)NCc1ccc(nc1)[*:1]
CCCOc1ccc(CNC(=O)c2cnn(C(C)C)c2C)cn1 CC(C)[*:1] CCCOc1ccc(cn1)CNC(=O)c1cnn(c1C)[*:1]
CCOC(=O)c1cccnc1N1CC[NH+](C)CC1 CCOC(=O)[*:1] C[NH+]1CCN(CC1)c1ncccc1[*:1]
O=C1NCCN(C(=O)C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C1NCCN(C(=O)C2CC2)[C@H]1c1ccc(cc1)[*:1]
O=C1NCCN(C(=O)C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 C1CC1[*:1] O=C1NCCN(C(=O)[*:1])[C@H]1c1ccc(cc1)C(F)(F)F
CC(C)[NH+](CCCNC(=O)N1CCN(c2nccs2)CC1)C(C)C c1csc(n1)[*:1] CC(C)[NH+](CCCNC(=O)N1CCN(CC1)[*:1])C(C)C
CC(C)[NH+](CCCNC(=O)N1CCN(c2nccs2)CC1)C(C)C CC(C)[*:1] CC(C)[NH+](CCCNC(=O)N1CCN(CC1)c1nccs1)[*:1]
COc1ccc2nc(SCC(=O)C(C)(C)C)[nH]c2c1 CC(C)(C)[*:1] COc1ccc2nc([nH]c2c1)SCC(=O)[*:1]
COc1ccc2nc(SCC(=O)C(C)(C)C)[nH]c2c1 CC(C)(C)C(=O)[*:1] COc1ccc2nc([nH]c2c1)SC[*:1]
CCOC(=O)c1sc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)[nH]c(=O)c2c1C CCOC(=O)[*:1] Cc1c(sc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)[nH]c(=O)c12)[*:1]
C#CCN(CC(=O)[O-])C(=O)[C@H](c1ccc(Cl)cc1)C(C)C O=C([O-])[*:1] C#CCN(C[*:1])C(=O)[C@H](c1ccc(Cl)cc1)C(C)C
C#CCN(CC(=O)[O-])C(=O)[C@H](c1ccc(Cl)cc1)C(C)C Clc1ccc(cc1)[*:1] C#CCN(CC(=O)[O-])C(=O)[C@H](C(C)C)[*:1]
C#CCN(CC(=O)[O-])C(=O)[C@H](c1ccc(Cl)cc1)C(C)C CC(C)[*:1] C#CCN(CC(=O)[O-])C(=O)[C@H](c1ccc(Cl)cc1)[*:1]
C#CCN(CC(=O)[O-])C(=O)[C@H](c1ccc(Cl)cc1)C(C)C O=C([O-])C[*:1] C#CCN(C(=O)[C@H](c1ccc(Cl)cc1)C(C)C)[*:1]
C#CCN(CC(=O)[O-])C(=O)[C@H](c1ccc(Cl)cc1)C(C)C C#CC[*:1] CC(C)[C@H](C(=O)N(CC(=O)[O-])[*:1])c1ccc(Cl)cc1
Cc1sc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(cc1[*:1])C(=O)N1CCC[C@@H](C1)[NH+](C)C
O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1cnc2sccn2c1=O c1cnc(nc1)[*:1] O=C(NC[C@H]1CCCN(C1)[*:1])c1cnc2sccn2c1=O
Cc1cc(C)cc(OCC[NH2+]C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1cc(C)cc(c1)OCC[NH2+]C[*:1]
CCOC(=O)[C@H](C)c1nc2c(F)cccc2n1C(C)C CC(C)[*:1] CCOC(=O)[C@H](C)c1nc2c(F)cccc2n1[*:1]
CCOC(=O)[C@H](C)c1nc2c(F)cccc2n1C(C)C CCOC(=O)[*:1] CC(C)n1c(nc2c(F)cccc21)[C@@H](C)[*:1]
CCN(CC(C)(C)O)C(=O)[C@H]1C[NH2+]CCO1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)[C@H]1C[NH2+]CCO1
CCN(CC(C)(C)O)C(=O)[C@H]1C[NH2+]CCO1 CC(C)(O)C[*:1] CCN(C(=O)[C@H]1C[NH2+]CCO1)[*:1]
CCO[C@]1(C[NH3+])CCCCC1(C)C CCO[*:1] CC1(C)CCCC[C@]1(C[NH3+])[*:1]
COc1ccccc1NC(=O)c1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] COc1ccccc1NC(=O)c1csc(n1)[*:1]
CC[C@@H]([NH2+][C@@H](COC)c1ccc(F)c(F)c1)c1cnn(C)c1 COC[*:1] CC[C@@H]([NH2+][C@@H](c1ccc(F)c(F)c1)[*:1])c1cnn(C)c1
CC[C@@H]([NH2+][C@@H](COC)c1ccc(F)c(F)c1)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@@H]([NH2+][C@@H](COC)c1ccc(F)c(F)c1)[*:1]
CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(CC)nn2c1C CCOC(=O)[*:1] CCc1nn2c(C)c(nnc2c1-c1ccc(Br)cc1)[*:1]
CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(CC)nn2c1C Brc1ccc(cc1)[*:1] CCOC(=O)c1nnc2c(c(CC)nn2c1C)[*:1]
Cc1ccc(C)c(CS(=O)(=O)[C@@H](C)C(=O)NCc2ccccc2C)c1 Cc1ccccc1[*:1] Cc1ccc(C)c(c1)CS(=O)(=O)[C@@H](C)C(=O)NC[*:1]
Cc1ccc(C)c(CS(=O)(=O)[C@@H](C)C(=O)NCc2ccccc2C)c1 Cc1ccccc1C[*:1] Cc1ccc(C)c(c1)CS(=O)(=O)[C@@H](C)C(=O)N[*:1]
Cc1ccc(C)c(CS(=O)(=O)[C@@H](C)C(=O)NCc2ccccc2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccccc1CNC(=O)[C@H](C)S(=O)(=O)C[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)CC1(C(=O)[O-])CCCC1 O=C([O-])[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)CC1(CCCC1)[*:1]
Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)ccn1 Cc1cc(ccn1)[*:1] Cn1cc(cc1C(=O)N[*:1])S(=O)(=O)N1CCCCC1
CCc1nsc(N2CCC[NH+](Cc3ccc(F)c(OC)c3)CC2)n1 CCc1nsc(n1)[*:1] COc1cc(ccc1F)C[NH+]1CCCN(CC1)[*:1]
CCOc1cc(C=O)cc(I)c1OCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CCOc1cc(C=O)cc(I)c1OC[*:1]
CCOc1cc(C=O)cc(I)c1OCC(=O)N1CCCC1 CCO[*:1] O=Cc1cc(I)c(OCC(=O)N2CCCC2)c(c1)[*:1]
CSC[C@@H](C)N(C)S(=O)(=O)c1cc(Cl)ccc1C CSC[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H](C)[*:1]
CCN(CCn1c(=O)oc2cccnc21)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(CCn1c(=O)oc2cccnc21)[*:1]
CCC(=O)N1CSC[C@@H]1C(=O)NCc1c(F)cccc1OC(F)F FC(F)[*:1] CCC(=O)N1CSC[C@@H]1C(=O)NCc1c(F)cccc1O[*:1]
CCC(=O)N1CSC[C@@H]1C(=O)NCc1c(F)cccc1OC(F)F FC(F)O[*:1] CCC(=O)N1CSC[C@@H]1C(=O)NCc1c(F)cccc1[*:1]
C[C@H]1CCC[C@@H](NC(=O)[C@@H]2CC([O-])=Nc3nc4ccccc4n32)[C@@H]1C C[C@H]1CCC[C@@H]([C@@H]1C)[*:1] O=C(N[*:1])[C@@H]1CC([O-])=Nc2nc3ccccc3n21
COc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(C)cc3)CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)CC(=O)N[*:1]
COc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(C)cc3)CC2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CN1CCN(CC1)C(=O)[*:1]
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3cn[nH]c3)s2)cc1 c1n[nH]cc1[*:1] COc1ccc(cc1)-c1nc(C)c(s1)[C@@H](C)NC(=O)N[*:1]
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Nc3cn[nH]c3)s2)cc1 COc1ccc(cc1)[*:1] Cc1nc(sc1[C@@H](C)NC(=O)Nc1cn[nH]c1)[*:1]
Cc1csc2c(N3CC(c4cccnc4)C3)ncnc12 c1cncc(c1)[*:1] Cc1csc2c(ncnc12)N1CC(C1)[*:1]
O=C1NCCN1CCNc1nc(-c2ccccc2)nc2c1CC[NH2+]CC2 O=C1NCCN1CC[*:1] c1ccc(cc1)-c1nc2CC[NH2+]CCc2c(n1)N[*:1]
O=C1NCCN1CCNc1nc(-c2ccccc2)nc2c1CC[NH2+]CC2 O=C1NCCN1C[*:1] c1ccc(cc1)-c1nc2CC[NH2+]CCc2c(n1)NC[*:1]
O=C1NCCN1CCNc1nc(-c2ccccc2)nc2c1CC[NH2+]CC2 O=C1NCCN1[*:1] c1ccc(cc1)-c1nc2CC[NH2+]CCc2c(n1)NCC[*:1]
O=C1NCCN1CCNc1nc(-c2ccccc2)nc2c1CC[NH2+]CC2 c1ccc(cc1)[*:1] O=C1NCCN1CCNc1nc(nc2CC[NH2+]CCc21)[*:1]
CC(C)Cn1cc(NC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cn1 c1cnn(c1)[*:1] CC(C)Cn1cc(cn1)NC(=O)N[C@H](C)c1cccc(c1)[*:1]
CC(C)Cn1cc(NC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cn1 CC(C)[*:1] C[C@@H](NC(=O)Nc1cnn(c1)C[*:1])c1cccc(c1)-n1cccn1
CC(C)Cn1cc(NC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cn1 CC(C)C[*:1] C[C@@H](NC(=O)Nc1cnn(c1)[*:1])c1cccc(c1)-n1cccn1
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cnc(C[*:1])s1
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cnc(s1)[*:1]
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cnc(Cc2ccccc2)s1 NC(=O)[*:1] O=C(N[C@H]1CCC[C@H]1[*:1])c1cnc(Cc2ccccc2)s1
Cc1nc(CC(=O)N2CCN(C(=O)N(C)C)CC2)cs1 Cc1nc(cs1)[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)C[*:1]
COc1cc(CN2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2cccc(O)c2)ccc1F COc1cc(ccc1F)[*:1] Oc1cccc(c1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C[*:1]
COc1cc(CN2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2cccc(O)c2)ccc1F COc1cc(ccc1F)C[*:1] Oc1cccc(c1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1[*:1]
COc1cc(CN2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2cccc(O)c2)ccc1F Oc1cccc(c1)[*:1] COc1cc(ccc1F)CN1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1[*:1]
CCC[NH+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccccc2n1 Clc1ccc(cc1)[*:1] CCC[NH+](Cc1cc(=O)n2ccccc2n1)C[*:1]
CCC[NH+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccccc2n1 Clc1ccc(cc1)C[*:1] CCC[NH+](Cc1cc(=O)n2ccccc2n1)[*:1]
Cc1ccc(N(C)S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)N(C)S(=O)(=O)c1cc(n(C)c1)[*:1]
Cc1ccc(N(C)S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1 Cc1ccc(cc1)[*:1] CN(C)C(=O)c1cc(cn1C)S(=O)(=O)N(C)[*:1]
O=C(c1csc(-c2ccccc2)n1)N1CCC(Cn2cc[nH+]c2)CC1 c1ccc(cc1)[*:1] O=C(c1csc(n1)[*:1])N1CCC(CC1)Cn1cc[nH+]c1
COc1cc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2cccc(C)c2)cc(OC)c1OC Cc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[C@@H]1C(=O)Nc2c(c(C)nn2C)[C@@H]1[*:1]
Cn1c(NC(=O)Cc2ccccc2)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 c1ccc(cc1)C[*:1] Cn1c(NC(=O)[*:1])c(-c2cccc(c2)C(F)(F)F)c(=O)c2ccccc21
Cn1c(NC(=O)Cc2ccccc2)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 c1ccc(cc1)[*:1] Cn1c(NC(=O)C[*:1])c(-c2cccc(c2)C(F)(F)F)c(=O)c2ccccc21
Cn1c(NC(=O)Cc2ccccc2)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 O=C(Cc1ccccc1)N[*:1] Cn1c(c(-c2cccc(c2)C(F)(F)F)c(=O)c2ccccc21)[*:1]
Cn1c(NC(=O)Cc2ccccc2)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 FC(F)(F)c1cccc(c1)[*:1] Cn1c(NC(=O)Cc2ccccc2)c(c(=O)c2ccccc21)[*:1]
Cn1c(NC(=O)Cc2ccccc2)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 FC(F)(F)[*:1] Cn1c(NC(=O)Cc2ccccc2)c(-c2cccc(c2)[*:1])c(=O)c2ccccc21
C[C@H]([NH3+])c1ccc(S[C@H](C)CCO)cc1 OCC[*:1] C[C@H]([NH3+])c1ccc(cc1)S[C@H](C)[*:1]
C[C@H]([NH3+])c1ccc(S[C@H](C)CCO)cc1 C[C@H]([NH3+])[*:1] C[C@H](CCO)Sc1ccc(cc1)[*:1]
C[C@H]([NH3+])c1ccc(S[C@H](C)CCO)cc1 C[C@H](CCO)[*:1] C[C@H]([NH3+])c1ccc(cc1)S[*:1]
COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccccc1F Fc1ccccc1[*:1] COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccco1)C(=O)N2C[*:1]
COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccccc1F c1coc(c1)[*:1] COc1ccc2c(c1)[C@]1(SCCN1C(=O)[*:1])C(=O)N2Cc1ccccc1F
COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccccc1F Fc1ccccc1C[*:1] COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccco1)C(=O)N2[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2cccnc2)n1[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2cccnc2)n1C[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 c1cncc(c1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(n1Cc1ccccc1)[*:1]
CCN(C)c1ccccc1NC(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] CCN(C)c1ccccc1NC(=O)N(C)C[*:1]
CCN(C)c1ccccc1NC(=O)N(C)CC(C)(C)O CCN(C)[*:1] CN(CC(C)(C)O)C(=O)Nc1ccccc1[*:1]
CCN(C)c1ccccc1NC(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] CCN(C)c1ccccc1NC(=O)N(C)[*:1]
Cc1c2c(=O)n(-c3ccccc3)n(Cc3ccc(F)cc3)c2cc(=O)n1CCC1=c2ccccc2=[NH+]C1 Fc1ccc(cc1)C[*:1] Cc1c2c(=O)n(-c3ccccc3)n(c2cc(=O)n1CCC1C[NH+]=c2ccccc2=1)[*:1]
Cc1c2c(=O)n(-c3ccccc3)n(Cc3ccc(F)cc3)c2cc(=O)n1CCC1=c2ccccc2=[NH+]C1 c1ccc(cc1)[*:1] Cc1c2c(=O)n(n(Cc3ccc(F)cc3)c2cc(=O)n1CCC1C[NH+]=c2ccccc2=1)[*:1]
Cc1c2c(=O)n(-c3ccccc3)n(Cc3ccc(F)cc3)c2cc(=O)n1CCC1=c2ccccc2=[NH+]C1 Fc1ccc(cc1)[*:1] Cc1c2c(=O)n(-c3ccccc3)n(C[*:1])c2cc(=O)n1CCC1C[NH+]=c2ccccc2=1
Cc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(F)c3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1cc(on1)[*:1])Nc1ccc(F)c(F)c1
Cc1ccc(-c2cc(CC(=O)Nc3ccc(F)c(F)c3)no2)cc1 Fc1ccc(cc1F)[*:1] Cc1ccc(cc1)-c1cc(CC(=O)N[*:1])no1
CC1CCN(C(=O)Cc2csc(NC(=O)Cc3ccccc3)n2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)Cc1csc(n1)NC(=O)C[*:1]
CC1CCN(C(=O)Cc2csc(NC(=O)Cc3ccccc3)n2)CC1 c1ccc(cc1)C[*:1] CC1CCN(CC1)C(=O)Cc1csc(n1)NC(=O)[*:1]
C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C CC(C)[*:1] C[NH2+][C@@H](c1ccc(cc1)OC)[*:1]
c1ccc(-c2nnc3n2CC[NH+](Cc2cc[nH]c2)C3)cc1 c1ccc(cc1)[*:1] c1cc(c[nH]1)C[NH+]1CCn2c(C1)nnc2[*:1]
c1ccc(-c2nnc3n2CC[NH+](Cc2cc[nH]c2)C3)cc1 c1cc(c[nH]1)[*:1] c1ccc(cc1)-c1nnc2C[NH+](CCn21)C[*:1]
CCCOc1ncccc1CNC(=O)N1CCC[C@H](OC)C1 CCC[*:1] CO[C@H]1CCCN(C1)C(=O)NCc1cccnc1O[*:1]
CCCOc1ncccc1CNC(=O)N1CCC[C@H](OC)C1 CCCO[*:1] CO[C@H]1CCCN(C1)C(=O)NCc1cccnc1[*:1]
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1csc(-c2cnccn2)n1 c1cnc(cn1)[*:1] O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1csc(n1)[*:1]
Cc1ccc(-c2onc(N)c2Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])-c1onc(N)c1Br
Cc1cc(NC(=O)CCc2cccc(Cl)c2Cl)no1 Cc1cc(no1)[*:1] O=C(CCc1cccc(Cl)c1Cl)N[*:1]
CCc1n[nH]c(=O)c(CNC(=O)c2cccc(C)n2)c1CC Cc1cccc(n1)[*:1] CCc1n[nH]c(=O)c(CNC(=O)[*:1])c1CC
Cc1c(F)cccc1NCc1noc(C(C)C)n1 CC(C)[*:1] Cc1c(F)cccc1NCc1noc(n1)[*:1]
COc1cc(OC)cc([C@H]2CCN(C(=O)NCCc3cccs3)C2)c1 c1csc(c1)C[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)C(=O)NC[*:1])OC
COc1cc(OC)cc([C@H]2CCN(C(=O)NCCc3cccs3)C2)c1 c1csc(c1)[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)C(=O)NCC[*:1])OC
COc1cc(OC)cc([C@H]2CCN(C(=O)NCCc3cccs3)C2)c1 c1csc(c1)CC[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)C(=O)N[*:1])OC
CCC(=O)[C@@H](C)Cc1cnoc1 CCC(=O)[*:1] C[C@@H](Cc1cnoc1)[*:1]
C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 Fc1ccccc1O[*:1] C[C@@H](C(=O)Nc1ccc(cc1)CN1C(=O)NC(C)(C)C1=O)[*:1]
C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 CC1(C)NC(=O)N(C1=O)[*:1] C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(cc1)C[*:1]
C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1 Fc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(cc1)CN1C(=O)NC(C)(C)C1=O
O=[N+]([O-])c1cc2c(cc1/C=N/Nc1nc3ccccc3s1)OCO2 O=[N+]([O-])[*:1] C(=N/Nc1nc2ccccc2s1)\c1cc2OCOc2cc1[*:1]
CCC/C=C/c1ncccc1C(=O)N1CCCC1 CCC[*:1] O=C(c1cccnc1C=C[*:1])N1CCCC1
CCC/C=C/c1ncccc1C(=O)N1CCCC1 CCCC=C[*:1] O=C(c1cccnc1[*:1])N1CCCC1
CCNC(=O)c1ccc(C[NH2+][C@@H](c2cc(C)sc2C)C(C)C)cc1 Cc1cc(c(C)s1)[*:1] CCNC(=O)c1ccc(cc1)C[NH2+][C@@H](C(C)C)[*:1]
CCNC(=O)c1ccc(C[NH2+][C@@H](c2cc(C)sc2C)C(C)C)cc1 CC(C)[*:1] CCNC(=O)c1ccc(cc1)C[NH2+][C@@H](c1cc(C)sc1C)[*:1]
CCNC(=O)c1ccc(C[NH2+][C@@H](c2cc(C)sc2C)C(C)C)cc1 CCNC(=O)[*:1] Cc1cc(c(C)s1)[C@H]([NH2+]Cc1ccc(cc1)[*:1])C(C)C
Cn1cc[nH+]c1-c1ccc(NC[C@@H](c2ccccn2)N2CCOCC2)nn1 C1CN(CCO1)[*:1] Cn1cc[nH+]c1-c1ccc(nn1)NC[C@@H](c1ccccn1)[*:1]
Cn1cc[nH+]c1-c1ccc(NC[C@@H](c2ccccn2)N2CCOCC2)nn1 c1ccc(nc1)[*:1] Cn1cc[nH+]c1-c1ccc(nn1)NC[C@@H](N1CCOCC1)[*:1]
O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccccn1 O=C(Nc1ccccn1)[*:1] O=S(=O)(Nc1ccc(cc1)C[*:1])c1ccc(F)cc1
O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(Cc1ccc(cc1)NS(=O)(=O)c1ccc(F)cc1)N[*:1]
O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccccn1 Fc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)NS(=O)(=O)[*:1])Nc1ccccn1
Cc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)o1 Cc1ccc(o1)[*:1] O=C(N1CCC[C@H]1c1ccncc1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)o1 c1cc(ccn1)[*:1] Cc1ccc(o1)C(=O)N1CCC[C@@H]1[*:1]
Cc1cccc(C)c1NC(=O)C[S@](=O)Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)C[S@](=O)C[*:1]
COCCn1ccc2ccc(NC(=O)[C@H]3CCOC3)cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)[C@H]1CCOC1
COCCn1ccc2ccc(NC(=O)[C@H]3CCOC3)cc21 C1C[C@@H](CO1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)[*:1]
COCCn1ccc2ccc(NC(=O)[C@H]3CCOC3)cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])[C@H]1CCOC1
CC(C)c1ocnc1CS(=O)(=O)[C@@H](C)c1nc(-c2ccccc2)no1 CC(C)[*:1] C[C@@H](c1nc(no1)-c1ccccc1)S(=O)(=O)Cc1ncoc1[*:1]
CC(C)c1ocnc1CS(=O)(=O)[C@@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)c1ocnc1CS(=O)(=O)[C@@H](C)c1nc(no1)[*:1]
Cc1ccc(CN(C)C(=O)CNc2ccccc2C)o1 Cc1ccc(o1)[*:1] Cc1ccccc1NCC(=O)N(C)C[*:1]
Cc1ccc(/C=C/C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] Cc1ccc(/C=C/C(=O)NCc2ccc(cc2)[*:1])cc1
Cc1ccc(/C=C/C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 Cc1ccc(cc1)[*:1] O=C(C=C[*:1])NCc1ccc(cc1)[N+](=O)[O-]
O=C(NCCCn1ccnc1)C(=O)Nc1ccc(F)c(F)c1 c1cn(cn1)CC[*:1] O=C(NC[*:1])C(=O)Nc1ccc(F)c(F)c1
O=C(NCCCn1ccnc1)C(=O)Nc1ccc(F)c(F)c1 c1cn(cn1)C[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(F)c(F)c1
O=C(NCCCn1ccnc1)C(=O)Nc1ccc(F)c(F)c1 c1cn(cn1)[*:1] O=C(NCCC[*:1])C(=O)Nc1ccc(F)c(F)c1
COc1ccc(NC(C)=O)cc1NC(=O)N(C)Cc1ccccc1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)N(C)Cc1ccccc1)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)N(C)C[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1NC(=O)N(C)[*:1])NC(C)=O
O=C(NCCCCn1ccccc1=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 O=c1ccccn1[*:1] O=C(NCCCC[*:1])N[C@H]1C[C@H]1c1cccc(Cl)c1
O=C(NCCCCn1ccccc1=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCCCCn1ccccc1=O)N[C@H]1C[C@@H]1[*:1]
O=C(NCCCCn1ccccc1=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 O=c1ccccn1C[*:1] O=C(NCCC[*:1])N[C@H]1C[C@H]1c1cccc(Cl)c1
C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@@H](C(N)=O)C1 NC(=O)[*:1] C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@@H](C1)[*:1]
Fc1cccc([C@@H](NCc2cccnc2)c2ccccc2)c1 c1cncc(c1)[*:1] Fc1cccc(c1)[C@@H](NC[*:1])c1ccccc1
Fc1cccc([C@@H](NCc2cccnc2)c2ccccc2)c1 c1cncc(c1)C[*:1] Fc1cccc(c1)[C@@H](N[*:1])c1ccccc1
Fc1cccc([C@@H](NCc2cccnc2)c2ccccc2)c1 Fc1cccc(c1)[*:1] c1ccc(cc1)[C@H](NCc1cccnc1)[*:1]
Fc1cccc([C@@H](NCc2cccnc2)c2ccccc2)c1 c1ccc(cc1)[*:1] Fc1cccc(c1)[C@@H](NCc1cccnc1)[*:1]
CCN(CC)C(=O)[C@H]1CC(=O)O[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@H]1CC(=O)O[C@@H]1[*:1]
CC(C)(C)[C@H](O)CCNC(=O)Cc1ccc(-c2ccccc2)cc1 CC(C)(C)[*:1] O=C(Cc1ccc(cc1)-c1ccccc1)NCC[C@@H](O)[*:1]
CC(C)(C)[C@H](O)CCNC(=O)Cc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)(C)[C@H](O)CCNC(=O)Cc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2)c(O)c1 Clc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CSC[*:1])c(O)c1
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)COc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)CO[*:1]
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)COc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)C[*:1]
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)COc1ccccc1 c1ccc(cc1)OC[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)[*:1]
NC(=S)c1[nH+]ccn1CCc1ccsc1 c1cc(cs1)[*:1] NC(=S)c1[nH+]ccn1CC[*:1]
NC(=S)c1[nH+]ccn1CCc1ccsc1 NC(=S)[*:1] c1cn(CCc2ccsc2)c([nH+]1)[*:1]
CCCC[NH+](CC(N)=O)C1CCC(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] CCCC[NH+](CC(N)=O)C1CCC(CC1)[*:1]
CCCC[NH+](CC(N)=O)C1CCC(c2ccc(O)cc2)CC1 CCC[*:1] NC(=O)C[NH+](C[*:1])C1CCC(CC1)c1ccc(O)cc1
CCCC[NH+](CC(N)=O)C1CCC(c2ccc(O)cc2)CC1 CCCC[*:1] NC(=O)C[NH+](C1CCC(CC1)c1ccc(O)cc1)[*:1]
CCCC[NH+](CC(N)=O)C1CCC(c2ccc(O)cc2)CC1 NC(=O)[*:1] CCCC[NH+](C[*:1])C1CCC(CC1)c1ccc(O)cc1
CCCC[NH+](CC(N)=O)C1CCC(c2ccc(O)cc2)CC1 NC(=O)C[*:1] CCCC[NH+](C1CCC(CC1)c1ccc(O)cc1)[*:1]
C[C@H](CC#N)[NH2+][C@@H]1CCCCC1(C)C N#CC[*:1] C[C@H]([NH2+][C@@H]1CCCCC1(C)C)[*:1]
Cc1ccc(C(=O)N2CCO[C@H](COc3ccccc3F)C2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)C(=O)N1CCO[C@H](CO[*:1])C1
Cc1ccc(C(=O)N2CCO[C@H](COc3ccccc3F)C2)cc1 Fc1ccccc1O[*:1] Cc1ccc(cc1)C(=O)N1CCO[C@@H](C1)C[*:1]
Cc1ccc(C(=O)N2CCO[C@H](COc3ccccc3F)C2)cc1 Cc1ccc(cc1)[*:1] O=C(N1CCO[C@H](COc2ccccc2F)C1)[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 c1cn(cn1)[*:1] Cc1ccc(c(c1)C(=O)NCCc1cn2CCCCc2[nH+]1)[*:1]
Cc1ccc(S(=O)(=O)[C@H](C)C(=O)Nc2c(C)cccc2C)cc1C Cc1ccc(cc1C)[*:1] Cc1cccc(C)c1NC(=O)[C@@H](C)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)[C@H](C)C(=O)Nc2c(C)cccc2C)cc1C Cc1cccc(C)c1[*:1] Cc1ccc(cc1C)S(=O)(=O)[C@H](C)C(=O)N[*:1]
CC(C)(C)C[C@H](CO)NC(=O)c1cccnc1Cl CC(C)(C)C[*:1] O=C(N[C@@H](CO)[*:1])c1cccnc1Cl
CC(C)(C)C[C@H](CO)NC(=O)c1cccnc1Cl CC(C)(C)[*:1] O=C(N[C@@H](CO)C[*:1])c1cccnc1Cl
C[C@H](NC(=O)C1CCCCC1)C(=O)O[C@@H](c1ccccc1)c1nccs1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C1CCCCC1)C(=O)O[C@@H](c1nccs1)[*:1]
C[C@H](NC(=O)C1CCCCC1)C(=O)O[C@@H](c1ccccc1)c1nccs1 C1CCC(CC1)[*:1] C[C@H](NC(=O)[*:1])C(=O)O[C@@H](c1ccccc1)c1nccs1
C[C@H](NC(=O)C1CCCCC1)C(=O)O[C@@H](c1ccccc1)c1nccs1 c1csc(n1)[*:1] C[C@H](NC(=O)C1CCCCC1)C(=O)O[C@@H](c1ccccc1)[*:1]
Cc1ccc2nc(Cn3c(-c4ccccn4)noc3=O)cc(=O)n2c1 c1ccc(nc1)[*:1] Cc1ccc2nc(cc(=O)n2c1)Cn1c(noc1=O)[*:1]
CC[C@H](C)C(=O)N1CCCN(c2nccc(OC)n2)CC1 CC[C@H](C)[*:1] COc1ccnc(n1)N1CCCN(CC1)C(=O)[*:1]
CCOc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)[*:1]
CCOc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(c1)[*:1]
CCOc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 CCO[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
CC(CO)(CO)NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] CC(CO)(CO)NC(=O)Nc1cc(Cl)ccc1[*:1]
CC(CO)(CO)NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F FC(F)(F)[*:1] CC(CO)(CO)NC(=O)Nc1cc(Cl)ccc1OC[*:1]
CC(CO)(CO)NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F FC(F)(F)C[*:1] CC(CO)(CO)NC(=O)Nc1cc(Cl)ccc1O[*:1]
CC(CO)(CO)NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F CC(CO)(CO)[*:1] O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)N[*:1]
COc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(C)cc1 COc1ccccc1[*:1] Cc1ccc(cc1)-n1c(nnc1-c1cccs1)SCC(=O)N[*:1]
COc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(C)cc1 c1csc(c1)[*:1] COc1ccccc1NC(=O)CSc1nnc(n1-c1ccc(C)cc1)[*:1]
COc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1[*:1]
Cc1c(F)cccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 N#CCC[*:1] Cc1c(F)cccc1NC(=O)c1ccc(cc1)S(=O)(=O)C[*:1]
Cc1c(F)cccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 N#CCCCS(=O)(=O)[*:1] Cc1c(F)cccc1NC(=O)c1ccc(cc1)[*:1]
Cc1c(F)cccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 N#CC[*:1] Cc1c(F)cccc1NC(=O)c1ccc(cc1)S(=O)(=O)CC[*:1]
Cc1c(F)cccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 Cc1c(F)cccc1[*:1] N#CCCCS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1c(F)cccc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 N#CCCC[*:1] Cc1c(F)cccc1NC(=O)c1ccc(cc1)S(=O)(=O)[*:1]
Cc1ccc(-c2nnc(C[S@](=O)c3cc(C(C)(C)C)ccc3C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1[S@@](=O)Cc1nnc(o1)[*:1])C(C)(C)C
Cc1ccc(-c2nnc(C[S@](=O)c3cc(C(C)(C)C)ccc3C)o2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)-c1nnc(C[S@](=O)c2cc(ccc2C)[*:1])o1
Cc1c(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)sc2ccccc12 CC(C)(C)[*:1] Cc1c(sc2ccccc12)C(=O)Nc1nc2CCN(Cc2s1)C(=O)O[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CC[C@@H](C)Oc1ccc(cc1)NC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CC[C@@H](C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 CC[C@@H](C)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
CC[NH+]1CCN(C(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1 Clc1ccc(Cl)c(c1)[*:1] CC[NH+]1CCN(CC1)C(=O)CN(S(C)(=O)=O)[*:1]
O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[NH+]1CCCCC1)[*:1]
CCOC(=O)C1=C(N)OC(C)=C(C(C)=O)[C@@H]1c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCOC(=O)C1=C(N)OC(C)=C(C(C)=O)[C@H]1[*:1]
CCOC(=O)C1=C(N)OC(C)=C(C(C)=O)[C@@H]1c1ccc(C#N)cc1 CC(=O)[*:1] CCOC(=O)C1=C(N)OC(C)=C([C@@H]1c1ccc(C#N)cc1)[*:1]
CCOC(=O)C1=C(N)OC(C)=C(C(C)=O)[C@@H]1c1ccc(C#N)cc1 CCOC(=O)[*:1] CC(=O)C1=C(C)OC(N)=C([C@H]1c1ccc(C#N)cc1)[*:1]
Cc1cc2ncc([C@H](C)[NH2+]C[C@H](C(C)C)N3CCOCC3)c(C)n2n1 CC(C)[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)[NH2+]C[C@H](N1CCOCC1)[*:1]
Cc1cc2ncc([C@H](C)[NH2+]C[C@H](C(C)C)N3CCOCC3)c(C)n2n1 C1CN(CCO1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)[NH2+]C[C@H](C(C)C)[*:1]
O=S(=O)(c1cccnc1)N(Cc1cccc(Br)c1)C1CC1 c1cncc(c1)[*:1] O=S(=O)(N(Cc1cccc(Br)c1)C1CC1)[*:1]
O=S(=O)(c1cccnc1)N(Cc1cccc(Br)c1)C1CC1 Brc1cccc(c1)[*:1] O=S(=O)(c1cccnc1)N(C[*:1])C1CC1
O=S(=O)(c1cccnc1)N(Cc1cccc(Br)c1)C1CC1 C1CC1[*:1] O=S(=O)(c1cccnc1)N(Cc1cccc(Br)c1)[*:1]
COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccc(C)cc4)nn32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=Nc2nc(nn21)NC(=O)c1ccc(C)cc1)[*:1]
COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccc(C)cc4)nn32)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=Nc2nc(nn21)NC(=O)[*:1])c1ccccc1
COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccc(C)cc4)nn32)cc1 Cc1ccc(cc1)C(=O)N[*:1] COc1ccc(cc1)[C@H]1CC(=Nc2nc(nn21)[*:1])c1ccccc1
COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccc(C)cc4)nn32)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)Nc1nc2N=C(C[C@@H](n2n1)[*:1])c1ccccc1
C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C#N)C(=O)N3)C1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H]1C[C@H](C)CN(C1)c1nc2NC(=O)[C@H](C#N)[C@H](c2c(=O)[nH]1)[*:1]
C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C#N)C(=O)N3)C1 O=[N+]([O-])[*:1] C[C@H]1C[C@H](C)CN(C1)c1nc2NC(=O)[C@H](C#N)[C@H](c3cccc(c3)[*:1])c2c(=O)[nH]1
Cc1cc2c(cc1C)/C(=C/C(=O)[O-])CO2 O=C([O-])[*:1] Cc1cc2OCC(=C[*:1])c2cc1C
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)N1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)N1CCN(CC1)C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)[C@@H](C(=O)N[C@@H](CO)c1ccco1)N1C(=O)c2ccccc2C1=O c1coc(c1)[*:1] CC(C)[C@@H](C(=O)N[C@@H](CO)[*:1])N1C(=O)c2ccccc2C1=O
CC(C)[C@@H](C(=O)N[C@@H](CO)c1ccco1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(N[C@@H](CO)c1ccco1)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CCCN[C@@]1(C#N)CC[C@@H](OCC2CCCCC2)C1 CCCN[*:1] N#C[C@]1(CC[C@H](C1)OCC1CCCCC1)[*:1]
CCCN[C@@]1(C#N)CC[C@@H](OCC2CCCCC2)C1 C1CCC(CC1)[*:1] CCCN[C@@]1(C#N)CC[C@H](C1)OC[*:1]
CCCN[C@@]1(C#N)CC[C@@H](OCC2CCCCC2)C1 CCC[*:1] N#C[C@@]1(CC[C@H](C1)OCC1CCCCC1)N[*:1]
N[C@@H](c1ccccc1)c1nc(COc2ccccc2)n[nH]1 c1ccc(cc1)[*:1] N[C@@H](c1nc(COc2ccccc2)n[nH]1)[*:1]
N[C@@H](c1ccccc1)c1nc(COc2ccccc2)n[nH]1 c1ccc(cc1)[*:1] N[C@@H](c1ccccc1)c1nc(CO[*:1])n[nH]1
N[C@@H](c1ccccc1)c1nc(COc2ccccc2)n[nH]1 c1ccc(cc1)O[*:1] N[C@@H](c1ccccc1)c1nc(C[*:1])n[nH]1
Cc1ccc2nc(-c3ccc(NC(=O)c4cnc5cc(C)ccn5c4=O)cc3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc2ccccn2c1C(=O)N1CCO[C@H](CCCc2ccccc2)C1 c1ccc(cc1)CC[*:1] Cc1nc2ccccn2c1C(=O)N1CCO[C@@H](C1)C[*:1]
Cc1nc2ccccn2c1C(=O)N1CCO[C@H](CCCc2ccccc2)C1 c1ccc(cc1)CCC[*:1] Cc1nc2ccccn2c1C(=O)N1CCO[C@H](C1)[*:1]
Cc1nc2ccccn2c1C(=O)N1CCO[C@H](CCCc2ccccc2)C1 c1ccc(cc1)C[*:1] Cc1nc2ccccn2c1C(=O)N1CCO[C@H](CC[*:1])C1
Cc1nc2ccccn2c1C(=O)N1CCO[C@H](CCCc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1nc2ccccn2c1C(=O)N1CCO[C@H](CCC[*:1])C1
Cc1c(-c2nc(-c3ccccc3Cl)no2)nnn1-c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1c(nnn1[*:1])-c1nc(no1)-c1ccccc1Cl
Cc1c(-c2nc(-c3ccccc3Cl)no2)nnn1-c1cccc(F)c1 Clc1ccccc1[*:1] Cc1c(nnn1-c1cccc(F)c1)-c1nc(no1)[*:1]
C[NH2+]Cc1ccc(OC)c(O[C@@H](C)C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[NH2+]Cc1ccc(OC)c(c1)O[C@@H](C)[*:1]
Cc1nnc(CN(C)C(=O)N[C@@H](C)C(C)C)n1C CC(C)[C@H](C)[*:1] Cc1nnc(CN(C)C(=O)N[*:1])n1C
Cc1nnc(CN(C)C(=O)N[C@@H](C)C(C)C)n1C CC(C)[*:1] Cc1nnc(CN(C)C(=O)N[C@@H](C)[*:1])n1C
COc1ccccc1NC(=O)N1CCC(CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)CC1 Cc1cc(C)c(c(C)c1)[*:1] COc1ccccc1NC(=O)N1CCC(CC1)CNC(=O)C(=O)N[*:1]
COc1ccccc1NC(=O)N1CCC(CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)CC1 COc1ccccc1[*:1] Cc1cc(C)c(NC(=O)C(=O)NCC2CCN(CC2)C(=O)N[*:1])c(C)c1
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3N3C[C@H](C)O[C@@H](C)C3)CC2)o1 Cc1ccc(o1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1C[NH+]1CCN(CC1)C(=O)[*:1]
C=CCOc1ccccc1CN(C(=O)c1cc(C)on1)c1ccc2c(c1)OCCO2 Cc1cc(no1)[*:1] C=CCOc1ccccc1CN(C(=O)[*:1])c1ccc2OCCOc2c1
C=CCOc1ccccc1CN(C(=O)c1cc(C)on1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C=CCOc1ccccc1CN(C(=O)c1cc(C)on1)[*:1]
C=CCOc1ccccc1CN(C(=O)c1cc(C)on1)c1ccc2c(c1)OCCO2 C=CCOc1ccccc1[*:1] Cc1cc(no1)C(=O)N(C[*:1])c1ccc2OCCOc2c1
C=CCOc1ccccc1CN(C(=O)c1cc(C)on1)c1ccc2c(c1)OCCO2 C=CC[*:1] Cc1cc(no1)C(=O)N(Cc1ccccc1O[*:1])c1ccc2OCCOc2c1
C=CCOc1ccccc1CN(C(=O)c1cc(C)on1)c1ccc2c(c1)OCCO2 C=CCO[*:1] Cc1cc(no1)C(=O)N(Cc1ccccc1[*:1])c1ccc2OCCOc2c1
CC(=O)N(Cc1ccc(NC(=O)NC[C@@H](C)c2ccsc2)cc1)C1CC1 CC(=O)N(C1CC1)[*:1] C[C@H](CNC(=O)Nc1ccc(cc1)C[*:1])c1ccsc1
CC(=O)N(Cc1ccc(NC(=O)NC[C@@H](C)c2ccsc2)cc1)C1CC1 CC(=O)N(C[*:1])C1CC1 C[C@H](CNC(=O)Nc1ccc(cc1)[*:1])c1ccsc1
CC(=O)N(Cc1ccc(NC(=O)NC[C@@H](C)c2ccsc2)cc1)C1CC1 C1CC1[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)NC[C@@H](C)c1ccsc1)[*:1]
CC(=O)N(Cc1ccc(NC(=O)NC[C@@H](C)c2ccsc2)cc1)C1CC1 c1cc(cs1)[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)NC[C@@H](C)[*:1])C1CC1
O=C(Nc1ccc(F)cc1)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=C(Nc1ccc(F)cc1)C(=O)N1CCO[C@@H](C1)[*:1]
O=C(Nc1ccc(F)cc1)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 Fc1ccc(cc1)[*:1] O=C(N[*:1])C(=O)N1CCO[C@H](C1)c1ccc(F)c(F)c1
O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cc(=O)c2ccccc2o1 c1ccc(cc1)C[*:1] O=C(N[C@@H]1CCC[C@H]1[*:1])c1cc(=O)c2ccccc2o1
O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cc(=O)c2ccccc2o1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCC[C@@H]1C[*:1])c1cc(=O)c2ccccc2o1
C/[NH+]=C(/NCc1ccc(C(=O)N(C)C)cc1)N[C@@H]1C[C@@H]1c1ccccc1F CN(C)C(=O)[*:1] C/[NH+]=C(/NCc1ccc(cc1)[*:1])N[C@@H]1C[C@@H]1c1ccccc1F
C/[NH+]=C(/NCc1ccc(C(=O)N(C)C)cc1)N[C@@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] C/[NH+]=C(/NCc1ccc(cc1)C(=O)N(C)C)N[C@@H]1C[C@H]1[*:1]
COCc1cc(OCC(=O)[O-])nc(Nc2cccc(C)c2C)n1 O=C([O-])C[*:1] COCc1cc(nc(n1)Nc1cccc(C)c1C)O[*:1]
COCc1cc(OCC(=O)[O-])nc(Nc2cccc(C)c2C)n1 COC[*:1] Cc1cccc(Nc2nc(cc(n2)[*:1])OCC(=O)[O-])c1C
COCc1cc(OCC(=O)[O-])nc(Nc2cccc(C)c2C)n1 O=C([O-])CO[*:1] COCc1cc(nc(n1)Nc1cccc(C)c1C)[*:1]
COCc1cc(OCC(=O)[O-])nc(Nc2cccc(C)c2C)n1 O=C([O-])[*:1] COCc1cc(nc(n1)Nc1cccc(C)c1C)OC[*:1]
CC(C)(C)OC(=O)N1CCC2(CCNC(=O)O2)CC1 CC(C)(C)[*:1] O=C1NCCC2(CCN(CC2)C(=O)O[*:1])O1
O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] O=C(COC(=O)Cc1cccc(c1)C(F)(F)F)N[*:1]
O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1c(Cl)cccc1Cl FC(F)(F)[*:1] O=C(COC(=O)Cc1cccc(c1)[*:1])Nc1c(Cl)cccc1Cl
C[C@@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)c1nc(-c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)[NH+](C)C)c1nc(no1)[*:1]
C[NH+]1CCN([C@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)C1CCN(CC1)S(C)(=O)=O)[*:1]
O=C(N/N=C/c1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(Cl)cc1)C(=O)NN=C[*:1]
Cn1c(-c2ccncc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 O=S(=O)(N1CCCC1)[*:1] Cn1c(nc2cc(ccc21)[*:1])-c1ccncc1
Cn1c(-c2ccncc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 c1cc(ccn1)[*:1] Cn1c(nc2cc(ccc21)S(=O)(=O)N1CCCC1)[*:1]
O[C@@H](C[C@H]1CCCCCN1c1ncnc2[nH]ncc12)c1ccco1 O[C@@H](C[*:1])c1ccco1 c1nc(c2cn[nH]c2n1)N1CCCCC[C@@H]1[*:1]
O[C@@H](C[C@H]1CCCCCN1c1ncnc2[nH]ncc12)c1ccco1 O[C@@H](c1ccco1)[*:1] c1nc(c2cn[nH]c2n1)N1CCCCC[C@@H]1C[*:1]
O[C@@H](C[C@H]1CCCCCN1c1ncnc2[nH]ncc12)c1ccco1 c1coc(c1)[*:1] O[C@@H](C[C@H]1CCCCCN1c1ncnc2[nH]ncc12)[*:1]
COc1nc(NCC[C@@H](O)C(C)C)nc(N2CCCCCC2)n1 CC(C)[*:1] COc1nc(nc(n1)N1CCCCCC1)NCC[C@@H](O)[*:1]
COc1nc(NCC[C@@H](O)C(C)C)nc(N2CCCCCC2)n1 C1CCCN(CC1)[*:1] COc1nc(nc(n1)[*:1])NCC[C@@H](O)C(C)C
CCOc1ncnc(NCc2cccs2)c1N CCO[*:1] Nc1c(ncnc1[*:1])NCc1cccs1
CCOc1ncnc(NCc2cccs2)c1N c1csc(c1)[*:1] CCOc1ncnc(NC[*:1])c1N
CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccco2)c1 CCO[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1cccc(c1)[*:1]
CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccco2)c1 c1coc(c1)C[*:1] CCOc1cccc(c1)[C@@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1[*:1]
CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccco2)c1 CCOc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1[*:1]
CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccco2)c1 Cc1ccc(cc1)C(=O)[*:1] CCOc1cccc(c1)[C@@H]1C(=C([O-])C(=O)N1Cc1ccco1)[*:1]
CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccco2)c1 Cc1ccc(cc1)[*:1] CCOc1cccc(c1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccco1
CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccco2)c1 c1coc(c1)[*:1] CCOc1cccc(c1)[C@@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1C[*:1]
O=C1/C(=C\c2ccc3c(c2)OCO3)S/C(=N/c2ccccc2)N1Cc1cccnc1 c1cncc(c1)C[*:1] O=C1/C(=C\c2ccc3OCOc3c2)S/C(=N/c2ccccc2)N1[*:1]
O=C1/C(=C\c2ccc3c(c2)OCO3)S/C(=N/c2ccccc2)N1Cc1cccnc1 c1cncc(c1)[*:1] O=C1/C(=C\c2ccc3OCOc3c2)S/C(=N/c2ccccc2)N1C[*:1]
O=C1/C(=C\c2ccc3c(c2)OCO3)S/C(=N/c2ccccc2)N1Cc1cccnc1 c1cc2OCOc2cc1[*:1] O=C1C(=C[*:1])S/C(=N/c2ccccc2)N1Cc1cccnc1
O=C1/C(=C\c2ccc3c(c2)OCO3)S/C(=N/c2ccccc2)N1Cc1cccnc1 c1ccc(cc1)[*:1] O=C1/C(=C\c2ccc3OCOc3c2)SC(=N[*:1])N1Cc1cccnc1
COC(=O)CN(CC(=O)N1CCCC1)C1CC1 C1CC1[*:1] COC(=O)CN(CC(=O)N1CCCC1)[*:1]
COC(=O)CN(CC(=O)N1CCCC1)C1CC1 COC(=O)C[*:1] O=C(CN(C1CC1)[*:1])N1CCCC1
COC(=O)CN(CC(=O)N1CCCC1)C1CC1 COC(=O)[*:1] O=C(CN(C[*:1])C1CC1)N1CCCC1
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/SC(=N)NC2=O)cc1 Cc1ccc(cc1)[*:1] N=C1NC(=O)/C(=C\c2ccccc2OS(=O)(=O)[*:1])S1
O=C(NCCC1CC1)c1ccc(Br)nc1 C1CC1CC[*:1] O=C(N[*:1])c1ccc(Br)nc1
O=C(NCCC1CC1)c1ccc(Br)nc1 C1CC1[*:1] O=C(NCC[*:1])c1ccc(Br)nc1
O=C(NCCC1CC1)c1ccc(Br)nc1 C1CC1C[*:1] O=C(NC[*:1])c1ccc(Br)nc1
C[C@@H](OC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCOC1 FC(F)(F)[*:1] C[C@@H](OC(=O)/C=C/c1ccc(Cl)c(c1)[*:1])[C@@H]1CCOC1
Cc1ccc(NCc2ccc(Cl)s2)cc1-n1cnnn1 Clc1ccc(s1)[*:1] Cc1ccc(cc1-n1cnnn1)NC[*:1]
Cc1ccc(NCc2ccc(Cl)s2)cc1-n1cnnn1 c1nnnn1[*:1] Cc1ccc(cc1[*:1])NCc1ccc(Cl)s1
CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccccc1C#N)C2 c1cc(ccn1)[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)c1ccccc1C#N)[*:1]
CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccccc1C#N)C2 CN(C)[*:1] N#Cc1ccccc1C(=O)N1CCc2c(C1)nc(nc2[*:1])-c1ccncc1
CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccccc1C#N)C2 N#Cc1ccccc1[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)[*:1])-c1ccncc1
CN(CCC#N)C(=O)CN1C(=O)CCc2ccc(F)cc21 N#CC[*:1] CN(C[*:1])C(=O)CN1C(=O)CCc2ccc(F)cc21
CN(CCC#N)C(=O)CN1C(=O)CCc2ccc(F)cc21 N#CCC[*:1] CN(C(=O)CN1C(=O)CCc2ccc(F)cc21)[*:1]
CC[C@H](NC(=O)N1C[C@@H](C)c2ccccc21)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)N1C[C@@H](C)c2ccccc21)[*:1]
CN(C)S(=O)(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1 CN(C)S(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCCc2ccccc21
CCc1ccc([C@@H](CO)NC(=O)/C=C/C(C)(C)C)cc1 CC(C)(C)C=C[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)[*:1]
CCc1ccc([C@@H](CO)NC(=O)/C=C/C(C)(C)C)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)C=C[*:1]
CCCOc1ccc(CNC(=O)N2CCCN(C(C)=O)CC2)cc1 CCC[*:1] CC(=O)N1CCCN(CC1)C(=O)NCc1ccc(cc1)O[*:1]
CCCOc1ccc(CNC(=O)N2CCCN(C(C)=O)CC2)cc1 CCCO[*:1] CC(=O)N1CCCN(CC1)C(=O)NCc1ccc(cc1)[*:1]
CC(C)(C)c1csc(C[C@H](O)c2cc(F)cc(F)c2)n1 CC(C)(C)[*:1] O[C@@H](Cc1nc(cs1)[*:1])c1cc(F)cc(F)c1
O=C1N[C@H](c2ccc(F)cc2)C(C(=O)c2cccs2)=C1O O=C(c1cccs1)[*:1] O=C1N[C@@H](C(=C1O)[*:1])c1ccc(F)cc1
O=C1N[C@H](c2ccc(F)cc2)C(C(=O)c2cccs2)=C1O c1csc(c1)[*:1] O=C1N[C@@H](C(C(=O)[*:1])=C1O)c1ccc(F)cc1
O=C1N[C@H](c2ccc(F)cc2)C(C(=O)c2cccs2)=C1O Fc1ccc(cc1)[*:1] O=C1N[C@H](C(C(=O)c2cccs2)=C1O)[*:1]
O=C(c1ccccc1)N1CCc2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 c1ccc(cc1)[*:1] O=C(N1CCc2ccc(cc21)CNS(=O)(=O)c1ccc(F)c(Cl)c1)[*:1]
O=C(c1ccccc1)N1CCc2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 Fc1ccc(cc1Cl)[*:1] O=C(c1ccccc1)N1CCc2ccc(cc21)CNS(=O)(=O)[*:1]
COc1ccc([C@H](C)Nc2nc(C(F)F)nc3ccccc23)cc1OC FC(F)[*:1] COc1ccc(cc1OC)[C@H](C)Nc1nc(nc2ccccc12)[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)Cc2ccc[nH]2)c1C c1c[nH]c(c1)[*:1] Cc1cccc(c1C)[C@@H]1CCCCN1C(=O)C[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)Cc2ccc[nH]2)c1C c1c[nH]c(c1)C[*:1] Cc1cccc(c1C)[C@@H]1CCCCN1C(=O)[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1cccs1)C1CC1 c1csc(c1)C[*:1] O=C(/C=C/c1ccc2OCOc2c1)N(C1CC1)[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1cccs1)C1CC1 C1CC1[*:1] O=C(/C=C/c1ccc2OCOc2c1)N(Cc1cccs1)[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1cccs1)C1CC1 c1csc(c1)[*:1] O=C(/C=C/c1ccc2OCOc2c1)N(C[*:1])C1CC1
C[C@@H](Sc1nc(C[NH+]2CCCC2)nc2ccccc12)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Sc1nc(C[NH+]2CCCC2)nc2ccccc12)[*:1]
O=C(NCC1(O)CCSCC1)c1ccccc1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC1(O)CCSCC1)c1ccccc1CC[*:1]
O=C(NCC1(O)CCSCC1)c1ccccc1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCC1(O)CCSCC1)c1ccccc1C[*:1]
O=C(NCC1(O)CCSCC1)c1ccccc1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(NCC1(O)CCSCC1)c1ccccc1[*:1]
O=C([C@@H]1CCCO1)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 C1CO[C@@H](C1)[*:1] O=C(N1CCC[C@@H](C1)c1ncncc1-c1ccncc1)[*:1]
O=C([C@@H]1CCCO1)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 c1cc(ccn1)[*:1] O=C([C@@H]1CCCO1)N1CCC[C@@H](C1)c1ncncc1[*:1]
C=CCC[C@@H](C)OC(=O)c1ccc2c(c1)OCC(=O)N2 C=CCC[C@@H](C)[*:1] O=C1COc2cc(ccc2N1)C(=O)O[*:1]
C=CCC[C@@H](C)OC(=O)c1ccc2c(c1)OCC(=O)N2 C=CC[*:1] C[C@H](C[*:1])OC(=O)c1ccc2NC(=O)COc2c1
C=CCC[C@@H](C)OC(=O)c1ccc2c(c1)OCC(=O)N2 C=CCC[*:1] C[C@@H](OC(=O)c1ccc2NC(=O)COc2c1)[*:1]
C[C@@H]1C[C@H]1NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 C1CN(CCO1)[*:1] C[C@@H]1C[C@H]1NC(=O)Nc1ccc2nc(sc2c1)[*:1]
Cc1cccc(NC(=O)NNC(=O)Cc2cn3ccccc3n2)c1 Cc1cccc(c1)[*:1] O=C(Cc1cn2ccccc2n1)NNC(=O)N[*:1]
Cc1cccc(CSc2nc([O-])c(C#N)c(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CSc1nc([O-])c(C#N)c(n1)[*:1]
Cc1cccc(CSc2nc([O-])c(C#N)c(-c3ccccc3)n2)c1 Cc1cccc(c1)[*:1] N#Cc1c([O-])nc(nc1-c1ccccc1)SC[*:1]
Cc1cccc(CSc2nc([O-])c(C#N)c(-c3ccccc3)n2)c1 Cc1cccc(c1)C[*:1] N#Cc1c([O-])nc(nc1-c1ccccc1)S[*:1]
Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)O[*:1]
Cc1cnc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)o2)cn1 Fc1ccc(cc1F)[*:1] Cc1cnc(cn1)-c1nnc(o1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cnc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)o2)cn1 Cc1cnc(cn1)[*:1] O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H](C1)c1nnc(o1)[*:1]
C[C@H]1CCc2c(cnc3c(C(=O)NCc4ccc5c(c4)OCO5)cnn23)C1 c1cc2OCOc2cc1[*:1] C[C@H]1CCc2c(cnc3c(cnn23)C(=O)NC[*:1])C1
C=CCN1C[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c4ncccc34)C2)CC1=O C=CC[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC[C@H](C1)c1n[nH]c2ncccc12
COc1ccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1 COc1ccc(cc1)[*:1] c1ccc2c(nc(nc2c1)[*:1])NC[C@H]1CCCO1
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(N2CCC(O)CC2)cc1 Cc1nn(C)c(C)c1[*:1] C[C@H](C[*:1])NC(=O)c1ccc(cc1)N1CCC(O)CC1
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(N2CCC(O)CC2)cc1 Cc1nn(C)c(C)c1C[*:1] C[C@@H](NC(=O)c1ccc(cc1)N1CCC(O)CC1)[*:1]
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(N2CCC(O)CC2)cc1 OC1CCN(CC1)[*:1] Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
C[C@H]1CN(c2nccc(C[NH+]3CCN(Cc4ccccc4F)CC3)n2)C[C@H](C)O1 Fc1ccccc1[*:1] C[C@H]1CN(C[C@H](C)O1)c1nccc(C[NH+]2CCN(CC2)C[*:1])n1
C[C@H]1CN(c2nccc(C[NH+]3CCN(Cc4ccccc4F)CC3)n2)C[C@H](C)O1 Fc1ccccc1C[*:1] C[C@H]1CN(C[C@H](C)O1)c1nccc(C[NH+]2CCN(CC2)[*:1])n1
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2C)c1C COCC[*:1] Cc1cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2C)c(C)n1[*:1]
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2C)c1C COC[*:1] Cc1cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2C)c(C)n1C[*:1]
CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2SC)cc1C CCO[*:1] CS[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(c(C)c1)[*:1]
Cn1cc(NC(=O)c2cc3ccccc3cc2OC(F)F)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])c1cc2ccccc2cc1OC(F)F
Cn1cc(NC(=O)c2cc3ccccc3cc2OC(F)F)cn1 FC(F)[*:1] Cn1cc(cn1)NC(=O)c1cc2ccccc2cc1O[*:1]
Cn1cc(NC(=O)c2cc3ccccc3cc2OC(F)F)cn1 FC(F)O[*:1] Cn1cc(cn1)NC(=O)c1cc2ccccc2cc1[*:1]
CSc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 C1CN(CCO1)C[*:1] CSc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1ccc(cc1)S(C)(=O)=O
CSc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 CS(=O)(=O)[*:1] CSc1ccc2nc(sc2c1)N(CCN1CCOCC1)C(=O)c1ccc(cc1)[*:1]
CSc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 C1CN(CCO1)CC[*:1] CSc1ccc2nc(sc2c1)N(C(=O)c1ccc(cc1)S(C)(=O)=O)[*:1]
CSc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 C1CN(CCO1)[*:1] CSc1ccc2nc(sc2c1)N(CC[*:1])C(=O)c1ccc(cc1)S(C)(=O)=O
CSc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 CS(=O)(=O)c1ccc(cc1)[*:1] CSc1ccc2nc(sc2c1)N(CCN1CCOCC1)C(=O)[*:1]
O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 O=[N+]([O-])[*:1] O=C(N[C@@H](CO)[C@H](O)c1ccc(cc1)[*:1])c1ccc2CCCc2c1
Cn1ncnc1NC(=O)NC[C@@](C)(O)c1ccccc1 c1ccc(cc1)[*:1] Cn1ncnc1NC(=O)NC[C@@](C)(O)[*:1]
Cn1ncnc1NC(=O)NC[C@@](C)(O)c1ccccc1 Cn1ncnc1[*:1] C[C@@](O)(CNC(=O)N[*:1])c1ccccc1
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C2=O c1coc(c1)[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@H](C)C(=O)NC[C@@H]([NH+]1CCCCC1)[*:1]
O=C(NN[C@H](c1ccccc1)c1cccs1)C(O)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NN[C@H](c1cccs1)[*:1])C(O)(c1ccccc1)c1ccccc1
O=C(NN[C@H](c1ccccc1)c1cccs1)C(O)(c1ccccc1)c1ccccc1 c1csc(c1)[*:1] O=C(NN[C@H](c1ccccc1)[*:1])C(O)(c1ccccc1)c1ccccc1
O=C(NN[C@H](c1ccccc1)c1cccs1)C(O)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NN[C@H](c1ccccc1)c1cccs1)C(O)(c1ccccc1)[*:1]
O=C(c1cccnc1)N1CCC(Oc2cnc3ccccc3n2)CC1 c1cncc(c1)[*:1] O=C(N1CCC(CC1)Oc1cnc2ccccc2n1)[*:1]
CCC(=O)[C@@H](C)c1ccc(Br)cc1 CCC(=O)[*:1] C[C@@H](c1ccc(Br)cc1)[*:1]
Cc1ccc2c(c1)C(C)(C)[C@H](C)N2CCC(N)=O NC(=O)[*:1] Cc1ccc2c(c1)C(C)(C)[C@H](C)N2CC[*:1]
Cc1ccc2c(c1)C(C)(C)[C@H](C)N2CCC(N)=O NC(=O)C[*:1] Cc1ccc2c(c1)C(C)(C)[C@H](C)N2C[*:1]
Cc1ccc2c(c1)C(C)(C)[C@H](C)N2CCC(N)=O NC(=O)CC[*:1] Cc1ccc2c(c1)C(C)(C)[C@H](C)N2[*:1]
C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCCc1nc2ccccc2[nH]1 Brc1ccc(s1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NCCc1nc2ccccc2[nH]1
CCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 CCO[*:1] C[C@]1(Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(cc1)[*:1])C(=O)NCc1ccccc1
CCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 O=C(NCc1ccccc1)[*:1] CCOc1ccc(cc1)CN1C(=O)c2cc3ccccc3n2C[C@]1(C)[*:1]
CCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 CCOc1ccc(cc1)C[*:1] C[C@]1(Cn2c(cc3ccccc32)C(=O)N1[*:1])C(=O)NCc1ccccc1
CCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC[*:1]
CCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 CCOc1ccc(cc1)[*:1] C[C@]1(Cn2c(cc3ccccc32)C(=O)N1C[*:1])C(=O)NCc1ccccc1
CCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)N[*:1]
CCCCCn1nnc(-c2cccc(OC)c2)n1 CCCC[*:1] COc1cccc(c1)-c1nnn(C[*:1])n1
CCCCCn1nnc(-c2cccc(OC)c2)n1 CCCCC[*:1] COc1cccc(c1)-c1nnn(n1)[*:1]
CCCCCn1nnc(-c2cccc(OC)c2)n1 CCC[*:1] COc1cccc(c1)-c1nnn(CC[*:1])n1
CC[C@H](C)NC(=O)CCOc1cccc(C(N)=O)c1 CC[C@H](C)[*:1] NC(=O)c1cccc(c1)OCCC(=O)N[*:1]
CC[C@H](C)NC(=O)CCOc1cccc(C(N)=O)c1 NC(=O)[*:1] CC[C@H](C)NC(=O)CCOc1cccc(c1)[*:1]
CCSc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2CCC2)s1 O=C(N[*:1])C1CCC1 CCSc1ccc(s1)C(=O)N1C[C@@H](F)C[C@H]1C[*:1]
CCSc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2CCC2)s1 CCS[*:1] O=C(NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc(s1)[*:1])C1CCC1
CCSc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2CCC2)s1 O=C(NC[*:1])C1CCC1 CCSc1ccc(s1)C(=O)N1C[C@@H](F)C[C@@H]1[*:1]
CCSc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2CCC2)s1 C1CC(C1)[*:1] CCSc1ccc(s1)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)[*:1]
CCSc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2CCC2)s1 CCSc1ccc(s1)[*:1] O=C(NC[C@@H]1C[C@H](F)CN1C(=O)[*:1])C1CCC1
C[C@@H](NC[C@@H](C)[S@](C)=O)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C[C@@H](NC[C@@H](C)[S@](C)=O)c1nc(cs1)[*:1]
Cc1nc(C)n(Cc2cccc(NC(=O)Nc3ccc(F)c(F)c3)c2)n1 Fc1ccc(cc1F)[*:1] Cc1nc(C)n(Cc2cccc(c2)NC(=O)N[*:1])n1
Cc1nc(C)n(Cc2cccc(NC(=O)Nc3ccc(F)c(F)c3)c2)n1 Cc1nc(C)n(C[*:1])n1 O=C(Nc1cccc(c1)[*:1])Nc1ccc(F)c(F)c1
Cc1nc(C)n(Cc2cccc(NC(=O)Nc3ccc(F)c(F)c3)c2)n1 Cc1nc(C)n(n1)[*:1] O=C(Nc1cccc(c1)C[*:1])Nc1ccc(F)c(F)c1
C#CCCOc1ccc(CN2[C@@H](C)COC[C@H]2C)cc1 C#CCCO[*:1] C[C@H]1COC[C@@H](C)N1Cc1ccc(cc1)[*:1]
C#CCCOc1ccc(CN2[C@@H](C)COC[C@H]2C)cc1 C#CC[*:1] C[C@H]1COC[C@@H](C)N1Cc1ccc(cc1)OC[*:1]
C#CCCOc1ccc(CN2[C@@H](C)COC[C@H]2C)cc1 C#CCC[*:1] C[C@H]1COC[C@@H](C)N1Cc1ccc(cc1)O[*:1]
CCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c12)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c12)[*:1]
COC(=O)CCCN(C)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 Cc1ccc(Cl)cc1[*:1] COC(=O)CCCN(C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)CCCN(C)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 COC(=O)CC[*:1] Cc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)N(C)C[*:1]
COC(=O)CCCN(C)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 COC(=O)C[*:1] Cc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)N(C)CC[*:1]
COC(=O)CCCN(C)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 COC(=O)[*:1] Cc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)N(C)CCC[*:1]
COC(=O)CCCN(C)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 COC(=O)CCC[*:1] Cc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)N(C)[*:1]
C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)CN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)CN1CCN(CC1)[*:1]
O=C(Nc1ccc(F)cc1)N1CCC(Cn2cnc3ccccc32)CC1 Fc1ccc(cc1)[*:1] O=C(N[*:1])N1CCC(CC1)Cn1cnc2ccccc21
N#CCCN(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccn1 N#CC[*:1] O=C(c1ccc(cc1)CN(Cc1ccccn1)C[*:1])N1CCCC1
N#CCCN(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccn1 O=C(N1CCCC1)[*:1] N#CCCN(Cc1ccc(cc1)[*:1])Cc1ccccn1
N#CCCN(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccn1 N#CCC[*:1] O=C(c1ccc(cc1)CN(Cc1ccccn1)[*:1])N1CCCC1
N#CCCN(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccn1 c1ccc(C[*:1])nc1 N#CCCN(Cc1ccc(cc1)C(=O)N1CCCC1)[*:1]
N#CCCN(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccn1 c1ccc(nc1)[*:1] N#CCCN(Cc1ccc(cc1)C(=O)N1CCCC1)C[*:1]
Cc1c([C@H](C)NC(=O)c2ccccc2-n2cncn2)cnn1-c1ccccc1 c1ncn(n1)[*:1] Cc1c(cnn1-c1ccccc1)[C@H](C)NC(=O)c1ccccc1[*:1]
Cc1c([C@H](C)NC(=O)c2ccccc2-n2cncn2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@H](C)NC(=O)c1ccccc1-n1cncn1
COc1ccc(CNC(=O)C[S@](=O)Cc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1)CNC(=O)C[S@](=O)C[*:1]
COc1ccc(CNC(=O)C[S@](=O)Cc2cc(C)cc(C)c2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C[S@@](=O)CC(=O)NC[*:1]
Cc1cnn(CCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 Cc1cnn(c1)[*:1] O=C(CC[*:1])NNC(=O)c1cc(n[nH]1)-c1ccccc1
Cc1cnn(CCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 Cc1cnn(c1)CC[*:1] O=C(NNC(=O)[*:1])c1cc(n[nH]1)-c1ccccc1
Cc1cnn(CCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 Cc1cnn(c1)C[*:1] O=C(C[*:1])NNC(=O)c1cc(n[nH]1)-c1ccccc1
Cc1cnn(CCC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c1 c1ccc(cc1)[*:1] Cc1cnn(c1)CCC(=O)NNC(=O)c1cc(n[nH]1)[*:1]
C[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)[S@](C)=O C[S@](=O)[*:1] C[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)[*:1]
CS(=O)(=O)c1c(F)cc(Cl)cc1F CS(=O)(=O)[*:1] Fc1cc(Cl)cc(F)c1[*:1]
CCC(=O)N1CCC[C@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 Cc1cc(C)nc(n1)[*:1] CCC(=O)N1CCC[C@H]1c1cccc(n1)N[*:1]
CNc1snc(C)c1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 c1cc([nH]n1)[*:1] CNc1snc(C)c1C(=O)N1CCC[C@H](C1)[*:1]
N#Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(F)cccc3s2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N(C[C@@H]1CCCO1)c1nc2c(F)cccc2s1)[*:1]
COc1ccc2[nH]cc(C(=O)NCCC(=O)Nc3cccc(Cl)c3)c2n1 Clc1cccc(c1)[*:1] COc1ccc2[nH]cc(C(=O)NCCC(=O)N[*:1])c2n1
COC(=O)c1cc([N+](=O)[O-])ccc1NCCO OCCN[*:1] COC(=O)c1cc(ccc1[*:1])[N+](=O)[O-]
COC(=O)c1cc([N+](=O)[O-])ccc1NCCO COC(=O)[*:1] O=[N+]([O-])c1ccc(NCCO)c(c1)[*:1]
COC(=O)c1cc([N+](=O)[O-])ccc1NCCO OCC[*:1] COC(=O)c1cc(ccc1N[*:1])[N+](=O)[O-]
COC(=O)c1cc([N+](=O)[O-])ccc1NCCO O=[N+]([O-])[*:1] COC(=O)c1cc(ccc1NCCO)[*:1]
CNC(=O)CN1CCC([NH2+]Cc2ccc(F)cc2F)CC1 CNC(=O)C[*:1] Fc1ccc(C[NH2+]C2CCN(CC2)[*:1])c(F)c1
CNC(=O)CN1CCC([NH2+]Cc2ccc(F)cc2F)CC1 CNC(=O)[*:1] Fc1ccc(C[NH2+]C2CCN(CC2)C[*:1])c(F)c1
O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 c1ccc(cc1)[*:1] O=C(NCCN1CC[NH+](CC1)C[*:1])c1ccc(Cl)nc1
O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 c1ccc(cc1)C[*:1] O=C(NCCN1CC[NH+](CC1)[*:1])c1ccc(Cl)nc1
O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(NCCN1CC[NH+](CC1)Cc1ccccc1)[*:1]
C[C@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1cc(F)cc(F)c1 Fc1cccc(c1)[*:1] C[C@H](N[C@H](c1ccccn1)[*:1])c1cc(F)cc(F)c1
C[C@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1cc(F)cc(F)c1 c1ccc(nc1)[*:1] C[C@H](N[C@H](c1cccc(F)c1)[*:1])c1cc(F)cc(F)c1
C[C@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] C[C@H](N[C@H](c1cccc(F)c1)c1ccccn1)[*:1]
CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)c1ccccc1OCCNS(=O)(=O)[*:1]
CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc(F)cc1 CC(C)[*:1] O=S(=O)(NCCOc1ccccc1[*:1])c1ccc(F)cc1
C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)cc2NC1=O c1cc2OCOc2cc1[*:1] C[C@H]1Oc2ccc(cc2NC1=O)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
C[C@H]([NH3+])c1ccn(Cc2ccc([N+](=O)[O-])c(F)c2)c1 O=[N+]([O-])[*:1] C[C@H]([NH3+])c1ccn(c1)Cc1ccc(c(F)c1)[*:1]
CC1(C)[C@@H](NC(=O)CCSc2ccccn2)[C@@H]2CCO[C@@H]21 c1ccc(nc1)S[*:1] CC1(C)[C@@H](NC(=O)CC[*:1])[C@@H]2CCO[C@@H]21
CC1(C)[C@@H](NC(=O)CCSc2ccccn2)[C@@H]2CCO[C@@H]21 c1ccc(nc1)[*:1] CC1(C)[C@@H](NC(=O)CCS[*:1])[C@@H]2CCO[C@@H]21
NC(=O)CCN(C(=O)CC[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)[*:1] NC(=O)CCN(C(=O)CC[*:1])c1ccccc1
NC(=O)CCN(C(=O)CC[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)CC[*:1] NC(=O)CCN(C(=O)[*:1])c1ccccc1
NC(=O)CCN(C(=O)CC[C@@H]1CCCO1)c1ccccc1 NC(=O)CC[*:1] O=C(CC[C@@H]1CCCO1)N(c1ccccc1)[*:1]
NC(=O)CCN(C(=O)CC[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)C[*:1] NC(=O)CCN(C(=O)C[*:1])c1ccccc1
NC(=O)CCN(C(=O)CC[C@@H]1CCCO1)c1ccccc1 NC(=O)[*:1] O=C(CC[C@@H]1CCCO1)N(CC[*:1])c1ccccc1
NC(=O)CCN(C(=O)CC[C@@H]1CCCO1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)CCN(C(=O)CC[C@@H]1CCCO1)[*:1]
NC(=O)CCN(C(=O)CC[C@@H]1CCCO1)c1ccccc1 NC(=O)C[*:1] O=C(CC[C@@H]1CCCO1)N(C[*:1])c1ccccc1
CCCNS(=O)(=O)c1ccc(/C(C)=N/OCC)cc1 CCC[*:1] CCO/N=C(\C)c1ccc(cc1)S(=O)(=O)N[*:1]
CCCNS(=O)(=O)c1ccc(/C(C)=N/OCC)cc1 CCON=C(C)[*:1] CCCNS(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCNC(=O)c1ccsc1 c1cc(cs1)[*:1] C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCNC(=O)[*:1]
C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCNC(=O)c1ccsc1 O=C(N[*:1])c1ccsc1 C[C@@H]1CN(C)c2ccccc2CN1C(=O)CC[*:1]
CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C)c(NC(C)=O)c1 CCC[*:1] CC(=O)Nc1cc(ccc1C)C(=O)N1CCC[C@@H](C)[C@H]1[*:1]
CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C)c(NC(C)=O)c1 CC(=O)N[*:1] CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C)c(c1)[*:1]
Cc1csc(CNC(=O)NCC2CCC(C(=O)[O-])CC2)n1 O=C([O-])[*:1] Cc1csc(CNC(=O)NCC2CCC(CC2)[*:1])n1
Cc1csc(CNC(=O)NCC2CCC(C(=O)[O-])CC2)n1 Cc1csc(n1)[*:1] O=C(NCC1CCC(CC1)C(=O)[O-])NC[*:1]
Cc1csc(CNC(=O)NCC2CCC(C(=O)[O-])CC2)n1 Cc1csc(C[*:1])n1 O=C(NCC1CCC(CC1)C(=O)[O-])N[*:1]
CCC(CC)[C@H]([NH3+])c1cc(F)c(F)c(F)c1 CCC(CC)[*:1] [NH3+][C@H](c1cc(F)c(F)c(F)c1)[*:1]
CC(C)Cn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)[*:1] CC(C)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)C[*:1]
CC(C)Cn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 CC(C)[*:1] O=C1C[C@H](CN1Cc1ccccc1)c1nc2ccccc2n1C[*:1]
CC(C)Cn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 CC(C)C[*:1] O=C1C[C@H](CN1Cc1ccccc1)c1nc2ccccc2n1[*:1]
CC(C)Cn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)C[*:1] CC(C)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
CO[C@H](CNC(=O)N1CCN(CC(F)F)CC1)c1ccc(F)cc1 FC(F)[*:1] CO[C@H](CNC(=O)N1CCN(CC1)C[*:1])c1ccc(F)cc1
CO[C@H](CNC(=O)N1CCN(CC(F)F)CC1)c1ccc(F)cc1 FC(F)C[*:1] CO[C@H](CNC(=O)N1CCN(CC1)[*:1])c1ccc(F)cc1
CO[C@H](CNC(=O)N1CCN(CC(F)F)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)N1CCN(CC1)CC(F)F)[*:1]
CCC[NH2+][C@H](c1cnccn1)[C@@H]1CCOC2(CCCC2)C1 c1cnc(cn1)[*:1] CCC[NH2+][C@H]([C@@H]1CCOC2(CCCC2)C1)[*:1]
CCC[NH2+][C@H](c1cnccn1)[C@@H]1CCOC2(CCCC2)C1 CCC[*:1] c1cnc(cn1)[C@@H]([NH2+][*:1])[C@@H]1CCOC2(CCCC2)C1
COc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)c(O)c1 CC(C)[*:1] COc1ccc(C(=O)NCC[NH+](C(C)C)[*:1])c(O)c1
O=C(NNc1nc(-c2ccccc2)no1)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NNc1nc(no1)[*:1])c1cnn(c1)-c1ccccc1
O=C(NNc1nc(-c2ccccc2)no1)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NNc1nc(no1)-c1ccccc1)c1cnn(c1)[*:1]
Cc1cc(=O)n(C(=O)C[NH+](CC2CC[NH2+]CC2)C2CC2)o1 C1CC1[*:1] Cc1cc(=O)n(o1)C(=O)C[NH+](CC1CC[NH2+]CC1)[*:1]
C[C@@H](C(=O)NCc1ccc(F)cc1)n1cc(C(=O)[O-])cn1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])n1cc(cn1)C(=O)[O-]
C[C@@H](C(=O)NCc1ccc(F)cc1)n1cc(C(=O)[O-])cn1 O=C([O-])[*:1] C[C@@H](C(=O)NCc1ccc(F)cc1)n1cc(cn1)[*:1]
CC(C)CC1(C[NH2+][C@@H]2CCCNC(=O)C2)CCCC1 CC(C)C[*:1] O=C1C[C@@H](CCCN1)[NH2+]CC1(CCCC1)[*:1]
CC(C)CC1(C[NH2+][C@@H]2CCCNC(=O)C2)CCCC1 CC(C)[*:1] O=C1C[C@@H](CCCN1)[NH2+]CC1(CCCC1)C[*:1]
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccsc2)cc1 c1cc(cs1)[*:1] CC(C)(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)NN=C[*:1]
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccsc2)cc1 CC(C)(C)[*:1] O=C(N/N=C/c1ccsc1)[C@H]1C[C@@H]1c1ccc(cc1)[*:1]
Cc1cccc(NC(=O)COC(=O)c2ccc(Br)cc2)c1 Cc1cccc(c1)[*:1] O=C(COC(=O)c1ccc(Br)cc1)N[*:1]
Cc1cccc(NC(=O)COC(=O)c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)COC(=O)[*:1]
CC(C)(C)[NH2+]Cc1cncc(-n2cncn2)n1 CC(C)(C)[*:1] c1ncn(n1)-c1cncc(C[NH2+][*:1])n1
CC(C)(C)[NH2+]Cc1cncc(-n2cncn2)n1 c1ncn(n1)[*:1] CC(C)(C)[NH2+]Cc1cncc(n1)[*:1]
CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 CCO[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1cccc(C#N)c1
CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 N#Cc1cccc(c1)[*:1] CCOc1ccc(cc1)NC(=O)C(=O)N[C@@H](C)[*:1]
COC(=O)c1cc(NCCn2c(=O)oc3ccccc32)ccc1C COC(=O)[*:1] Cc1ccc(cc1[*:1])NCCn1c(=O)oc2ccccc21
O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccnc(c1)[*:1]
O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccnc(c1)O[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)NNc2ccc(F)c(F)c2F)cc1 CC(C)C(=O)N[*:1] O=C(NNc1ccc(F)c(F)c1F)Nc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)NNc2ccc(F)c(F)c2F)cc1 CC(C)[*:1] O=C(NNc1ccc(F)c(F)c1F)Nc1ccc(cc1)NC(=O)[*:1]
C[NH2+][C@H](Cc1ncnn1C)[C@H]1C[NH+]2CCN1CC2 Cn1ncnc1[*:1] C[NH2+][C@H](C[*:1])[C@H]1C[NH+]2CCN1CC2
CCC[NH+]1CCC(NC(=O)c2oc3ccccc3c2C)CC1 CCC[*:1] Cc1c(oc2ccccc12)C(=O)NC1CC[NH+](CC1)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](C[*:1])NC(=O)N[C@@H](c1ccccc1)c1ccco1
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](c1ccco1)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](c1ccccc1)c1ccco1 CN(C)C(=O)[*:1] O=C(N[C@@H](c1ccccc1)c1ccco1)N[C@@H](Cc1ccccc1)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](c1ccccc1)c1ccco1 c1coc(c1)[*:1] CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](c1ccccc1)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H](c1ccccc1)c1ccco1 c1ccc(cc1)C[*:1] CN(C)C(=O)[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccco1)[*:1]
CC(C)(C)NC(=O)N1CCC[C@@H]1c1nc(C2CC2)no1 C1CC1[*:1] CC(C)(C)NC(=O)N1CCC[C@@H]1c1nc(no1)[*:1]
CC(C)(C)NC(=O)N1CCC[C@@H]1c1nc(C2CC2)no1 CC(C)(C)[*:1] O=C(N[*:1])N1CCC[C@@H]1c1nc(no1)C1CC1
C=CCOC(=O)c1cnc2nc(SCc3ccc(Cl)cc3)nn2c1C Clc1ccc(cc1)C[*:1] C=CCOC(=O)c1cnc2nc(nn2c1C)S[*:1]
C=CCOC(=O)c1cnc2nc(SCc3ccc(Cl)cc3)nn2c1C C=CCOC(=O)[*:1] Cc1c(cnc2nc(nn12)SCc1ccc(Cl)cc1)[*:1]
C=CCOC(=O)c1cnc2nc(SCc3ccc(Cl)cc3)nn2c1C C=CC[*:1] Cc1c(cnc2nc(nn12)SCc1ccc(Cl)cc1)C(=O)O[*:1]
C=CCOC(=O)c1cnc2nc(SCc3ccc(Cl)cc3)nn2c1C Clc1ccc(cc1)[*:1] C=CCOC(=O)c1cnc2nc(nn2c1C)SC[*:1]
Cc1nc(N[C@H](C)C(=O)NC(C)(C)C)nc(C)c1CC(C)C CC(C)(C)[*:1] Cc1nc(nc(C)c1CC(C)C)N[C@H](C)C(=O)N[*:1]
Cc1nc(N[C@H](C)C(=O)NC(C)(C)C)nc(C)c1CC(C)C CC(C)(C)NC(=O)[*:1] Cc1nc(nc(C)c1CC(C)C)N[C@H](C)[*:1]
Cc1nc(N[C@H](C)C(=O)NC(C)(C)C)nc(C)c1CC(C)C CC(C)C[*:1] Cc1nc(nc(C)c1[*:1])N[C@H](C)C(=O)NC(C)(C)C
Cc1nc(N[C@H](C)C(=O)NC(C)(C)C)nc(C)c1CC(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[*:1])N[C@H](C)C(=O)NC(C)(C)C
COC(=O)[C@@H]1[NH+]=c2ccccc2=C1NC(=O)c1ccc(F)cc1 COC(=O)[*:1] O=C(NC1=c2ccccc2=[NH+][C@H]1[*:1])c1ccc(F)cc1
COC(=O)[C@@H]1[NH+]=c2ccccc2=C1NC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H]1[NH+]=c2ccccc2=C1NC(=O)[*:1]
CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)cc1C C[C@H]1CCCCN1S(=O)(=O)[*:1] CCOC(=O)c1sc(cc1C)NC(=O)c1cccc(c1)[*:1]
CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)cc1C CCOC(=O)[*:1] Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCC[C@@H]2C)sc1[*:1]
CSCC[C@@H](NC(=O)C1CC1)C(N)=O NC(=O)[*:1] CSCC[C@@H](NC(=O)C1CC1)[*:1]
CSCC[C@@H](NC(=O)C1CC1)C(N)=O C1CC1[*:1] CSCC[C@@H](NC(=O)[*:1])C(N)=O
CSCC[C@@H](NC(=O)C1CC1)C(N)=O CSC[*:1] NC(=O)[C@@H](C[*:1])NC(=O)C1CC1
CSCC[C@@H](NC(=O)C1CC1)C(N)=O CSCC[*:1] NC(=O)[C@H](NC(=O)C1CC1)[*:1]
COc1cccc([C@@H](O)c2cccnc2-n2nnc3ccccc32)c1 COc1cccc(c1)[*:1] O[C@@H](c1cccnc1-n1nnc2ccccc21)[*:1]
Cc1ccc([C@@H](N[C@@H](C(N)=O)c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](N[C@@H](C(N)=O)[*:1])c1ccccc1
Cc1ccc([C@@H](N[C@@H](C(N)=O)c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](N[C@@H](C(N)=O)c1ccccc1)[*:1]
Cc1ccc([C@@H](N[C@@H](C(N)=O)c2ccccc2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@H](N[C@@H](c1ccccc1)[*:1])c1ccccc1
Cc1ccc([C@@H](N[C@@H](C(N)=O)c2ccccc2)c2ccccc2)cc1 NC(=O)[*:1] Cc1ccc(cc1)[C@@H](N[C@@H](c1ccccc1)[*:1])c1ccccc1
Cc1nnc(NC(=O)CN2CCN(CCn3ccnc3)CC2)s1 Cc1nnc(s1)[*:1] O=C(CN1CCN(CC1)CCn1ccnc1)N[*:1]
Cc1nnc(NC(=O)CN2CCN(CCn3ccnc3)CC2)s1 c1cn(cn1)CC[*:1] Cc1nnc(NC(=O)CN2CCN(CC2)[*:1])s1
Cc1nnc(NC(=O)CN2CCN(CCn3ccnc3)CC2)s1 c1cn(cn1)C[*:1] Cc1nnc(NC(=O)CN2CCN(CC2)C[*:1])s1
Cc1nnc(NC(=O)CN2CCN(CCn3ccnc3)CC2)s1 c1cn(cn1)[*:1] Cc1nnc(NC(=O)CN2CCN(CC2)CC[*:1])s1
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ncnn1C c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](C[*:1])NC(=O)Nc1ncnn1C
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ncnn1C Cn1ncnc1[*:1] CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)N[*:1]
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ncnn1C CN(C)C(=O)[*:1] Cn1ncnc1NC(=O)N[C@H](Cc1ccccc1)[*:1]
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ncnn1C c1ccc(cc1)C[*:1] CN(C)C(=O)[C@@H](NC(=O)Nc1ncnn1C)[*:1]
Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)Nc1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] Cc1cc(=O)c(cn1CC(=O)Nc1ccc2OCOc2c1)OC[*:1]
Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)Nc1ccc2c(c1)OCO2 Fc1ccc(cc1)CO[*:1] Cc1cc(=O)c(cn1CC(=O)Nc1ccc2OCOc2c1)[*:1]
Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1cc(=O)c(cn1CC(=O)N[*:1])OCc1ccc(F)cc1
Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)Nc1ccc2c(c1)OCO2 Fc1ccc(cc1)C[*:1] Cc1cc(=O)c(cn1CC(=O)Nc1ccc2OCOc2c1)O[*:1]
COc1cccc(C(=O)[C@H](C#N)c2nc(C)cs2)c1OC(F)F FC(F)O[*:1] COc1cccc(C(=O)[C@H](C#N)c2nc(C)cs2)c1[*:1]
COc1cccc(C(=O)[C@H](C#N)c2nc(C)cs2)c1OC(F)F FC(F)[*:1] COc1cccc(C(=O)[C@H](C#N)c2nc(C)cs2)c1O[*:1]
COc1cccc(C(=O)[C@H](C#N)c2nc(C)cs2)c1OC(F)F Cc1csc(n1)[*:1] COc1cccc(C(=O)[C@H](C#N)[*:1])c1OC(F)F
CCC1CN(c2cc(F)ccc2C(=O)[O-])C1 O=C([O-])[*:1] CCC1CN(C1)c1cc(F)ccc1[*:1]
CCCn1c(C)nn(CN2CCO[C@H]3CC[C@@H](OC)C[C@@H]32)c1=S CCC[*:1] CO[C@@H]1CC[C@@H]2OCCN(Cn3nc(C)n(c3=S)[*:1])[C@H]2C1
O=C(CN1C(=O)C[C@H](c2ccccc2)S(=O)(=O)c2ccccc21)Nc1cccc2ccccc12 c1ccc(cc1)[*:1] O=C(CN1C(=O)C[C@H](S(=O)(=O)c2ccccc21)[*:1])Nc1cccc2ccccc12
O=C(CN1C(=O)C[C@H](c2ccccc2)S(=O)(=O)c2ccccc21)Nc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] O=C(CN1C(=O)C[C@H](c2ccccc2)S(=O)(=O)c2ccccc21)N[*:1]
Cc1cccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])c1cccs1
Cc1cccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)c1 O=C(N[*:1])c1cccs1 Cc1cccc(c1)-c1nc2cc(ccc2o1)[*:1]
Cc1cccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)c1 c1csc(c1)[*:1] Cc1cccc(c1)-c1nc2cc(ccc2o1)NC(=O)[*:1]
O=C(NCCOCCO)[C@H]1CCCN(C2=NC=NC3=NC=N[C@H]32)C1 OCC[*:1] O=C(NCCO[*:1])[C@H]1CCCN(C1)C1=NC=NC2=NC=N[C@H]21
O=C(NCCOCCO)[C@H]1CCCN(C2=NC=NC3=NC=N[C@H]32)C1 OCCOCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C1=NC=NC2=NC=N[C@H]21
O=C(NCCOCCO)[C@H]1CCCN(C2=NC=NC3=NC=N[C@H]32)C1 OCCO[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)C1=NC=NC2=NC=N[C@H]21
O=C(NCCOCCO)[C@H]1CCCN(C2=NC=NC3=NC=N[C@H]32)C1 OCCOC[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C1=NC=NC2=NC=N[C@H]21
CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 Clc1cccc(Cl)c1C[*:1] CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 CC(C)(C)[*:1] CN(C(=O)O[*:1])[C@H]1CCCN(C1)S(=O)(=O)Cc1c(Cl)cccc1Cl
CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 CN(C(=O)OC(C)(C)C)[*:1] O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCC[C@@H](C1)[*:1]
CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 Clc1cccc(Cl)c1[*:1] CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
Oc1cc2cc(-c3ccccc3)[nH]c2c2ccccc12 c1ccc(cc1)[*:1] Oc1cc2cc([nH]c2c2ccccc12)[*:1]
CCc1nnsc1C(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 C1CCC(CC1)[*:1] CCc1nnsc1C(=O)N1CC[C@]2(CCCN(C2=O)[*:1])C1
CCc1nnsc1C(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 CCc1nnsc1[*:1] O=C1N(CCC[C@]12CCN(C2)C(=O)[*:1])C1CCCCC1
CC[C@H](O)CN1CCN(C(=O)c2ccccc2F)CC1 CC[C@H](O)[*:1] O=C(c1ccccc1F)N1CCN(CC1)C[*:1]
CC[C@H](O)CN1CCN(C(=O)c2ccccc2F)CC1 CC[C@H](O)C[*:1] O=C(c1ccccc1F)N1CCN(CC1)[*:1]
N#Cc1c(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cn2ccccc12 c1ccc(cc1)C[*:1] N#Cc1c(cn2ccccc12)CN1C(=O)N[C@H](C1=O)[*:1]
N#Cc1c(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cn2ccccc12 c1ccc(cc1)[*:1] N#Cc1c(cn2ccccc12)CN1C(=O)N[C@H](C[*:1])C1=O
COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N[C@@H](C)C(=O)[O-])ccc23)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)COc1ccc2c(cc(=O)oc2c1)[*:1])C(=O)[O-]
COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N[C@@H](C)C(=O)[O-])ccc23)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1cc(=O)oc2cc(ccc12)OCC(=O)N[C@@H](C)[*:1]
Cc1cc(C)n(-c2ccc(N3CCC(C(=O)NCc4nc5ccccc5[nH]4)CC3)nn2)n1 c1ccc2[nH]c(nc2c1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC(CC1)C(=O)NC[*:1]
Cc1cc(C)n(-c2ccc(N3CCC(C(=O)NCc4nc5ccccc5[nH]4)CC3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCc1nc2ccccc2[nH]1)C1CCN(CC1)c1ccc(nn1)[*:1]
Cc1cc(C)n(-c2ccc(N3CCC(C(=O)NCc4nc5ccccc5[nH]4)CC3)nn2)n1 c1ccc2[nH]c(C[*:1])nc2c1 Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC(CC1)C(=O)N[*:1]
O=C(OCCCl)OCn1c(=O)sc2ccccc21 ClCC[*:1] O=C(OCn1c(=O)sc2ccccc21)O[*:1]
CC(C)c1nc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)no1 CC(C)c1nc(no1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCC(CC1)[*:1]
CC(C)c1nc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)no1 CC(C)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCC(CC1)c1noc(n1)[*:1]
CC(C)c1nc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)no1 Fc1ccc(cc1)[*:1] CC(C)c1nc(no1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 Clc1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCCCC1)[*:1]
O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 Clc1ccc(cc1)[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCCC1
Cc1cc(C)cc(C(=O)NCC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 Cc1cc(C)cc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)CNC(=O)[*:1])c1ccco1
Cc1cc(C)cc(C(=O)NCC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 c1coc(c1)[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)NC[C@@H]([NH+](C)C)[*:1]
C#Cc1cccc(NC(=O)C[NH+](C)CC2CCCC2)c1 C1CCC(C1)C[*:1] C#Cc1cccc(c1)NC(=O)C[NH+](C)[*:1]
C#Cc1cccc(NC(=O)C[NH+](C)CC2CCCC2)c1 C1CCC(C1)[*:1] C#Cc1cccc(c1)NC(=O)C[NH+](C)C[*:1]
CC[C@@H]1Cn2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc3cccc(c32)O1 c1cc2OCOc2cc1[*:1] CC[C@@H]1Cn2c(cc3cccc(O1)c32)C(=O)N1CCN(CC1)C[*:1]
CC[C@@H]1Cn2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc3cccc(c32)O1 c1cc2OCOc2cc1C[*:1] CC[C@@H]1Cn2c(cc3cccc(O1)c32)C(=O)N1CCN(CC1)[*:1]
C[C@@H]1CCOCCN1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CCOCCN1C(=O)N[C@@H](C[NH+]1CCCC1)[*:1]
CCCCc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 CCCC[*:1] O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)[*:1]
CCCCc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] CCCCc1ccc(cc1)NC(=O)C(=O)N[*:1]
CCCCc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCCCc1ccc(cc1)NC(=O)C(=O)NC[*:1]
CCCCc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 CCC[*:1] O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)C[*:1]
O=S(=O)(c1cncc(F)c1)N1CCC[C@H]1c1cccc(F)c1 Fc1cncc(c1)[*:1] O=S(=O)(N1CCC[C@H]1c1cccc(F)c1)[*:1]
O=S(=O)(c1cncc(F)c1)N1CCC[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=S(=O)(c1cncc(F)c1)N1CCC[C@@H]1[*:1]
C[NH+]1CCC(Nc2nc(Cl)ccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[NH+]1CCC(CC1)Nc1nc(Cl)ccc1[*:1]
COc1ccc(NC(=O)[C@H](C)[S@](=O)C2CCCCC2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)NC(=O)[C@H](C)[S@](=O)[*:1]
CC[NH+]1CCN(CCNC(=O)[C@@H](C)SC)CC1 CS[C@H](C)[*:1] CC[NH+]1CCN(CCNC(=O)[*:1])CC1
Cc1ccc([C@@H](C)NC(=O)NCCNC(=O)C2CC2)cc1F O=C(N[*:1])C1CC1 Cc1ccc(cc1F)[C@@H](C)NC(=O)NCC[*:1]
Cc1ccc([C@@H](C)NC(=O)NCCNC(=O)C2CC2)cc1F O=C(NC[*:1])C1CC1 Cc1ccc(cc1F)[C@@H](C)NC(=O)NC[*:1]
Cc1ccc([C@@H](C)NC(=O)NCCNC(=O)C2CC2)cc1F C1CC1[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)NCCNC(=O)[*:1]
CC1=C(/C=N/NC(=O)C2=c3ccccc3=[NH+]C2)[C@H](Cl)N(c2ccccc2)N1 c1ccc(cc1)[*:1] CC1NN([C@@H](Cl)C=1/C=N/NC(=O)C1C[NH+]=c2ccccc2=1)[*:1]
Cc1nn(C)c(C)c1NC(=O)C[NH+](Cc1ccc(Cl)c(Cl)c1)C1CC1 Cc1nn(C)c(C)c1[*:1] O=C(C[NH+](Cc1ccc(Cl)c(Cl)c1)C1CC1)N[*:1]
Cc1nn(C)c(C)c1NC(=O)C[NH+](Cc1ccc(Cl)c(Cl)c1)C1CC1 C1CC1[*:1] Cc1nn(C)c(C)c1NC(=O)C[NH+](Cc1ccc(Cl)c(Cl)c1)[*:1]
Cc1nn(C)c(C)c1NC(=O)C[NH+](Cc1ccc(Cl)c(Cl)c1)C1CC1 Clc1ccc(cc1Cl)[*:1] Cc1nn(C)c(C)c1NC(=O)C[NH+](C[*:1])C1CC1
O=C(c1ccc(-c2cnco2)cc1)N(CC1CCC1)c1ccccc1 C1CC(C1)C[*:1] O=C(c1ccc(cc1)-c1cnco1)N(c1ccccc1)[*:1]
O=C(c1ccc(-c2cnco2)cc1)N(CC1CCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)-c1cnco1)N(CC1CCC1)[*:1]
O=C(c1ccc(-c2cnco2)cc1)N(CC1CCC1)c1ccccc1 c1ncc(o1)[*:1] O=C(c1ccc(cc1)[*:1])N(CC1CCC1)c1ccccc1
O=C(c1ccc(-c2cnco2)cc1)N(CC1CCC1)c1ccccc1 C1CC(C1)[*:1] O=C(c1ccc(cc1)-c1cnco1)N(C[*:1])c1ccccc1
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1[*:1]
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 c1cnc(nc1)[*:1] CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 CCOc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2cccc(c2)[N+](=O)[O-])N1c1ncccn1)[*:1]
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccc(c1)[*:1]
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 CCOc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(c2)[N+](=O)[O-])N1c1ncccn1
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 CCO[*:1] O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)c2)c1 FC(F)(F)[*:1] Cc1cccc(c1)NC(=O)Nc1cccc(c1)CNC(=O)[C@H]1CC(=O)N(C1)C[*:1]
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)c2)c1 FC(F)(F)C[*:1] Cc1cccc(c1)NC(=O)Nc1cccc(c1)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)c2)c1 Cc1cccc(c1)[*:1] O=C(Nc1cccc(c1)CNC(=O)[C@H]1CC(=O)N(C1)CC(F)(F)F)N[*:1]
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCCc2ccccc21 O=[N+]([O-])[*:1] O=C(CNC(=O)c1cccc(c1)[*:1])OCC(=O)N1CCCc2ccccc21
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCCc2ccccc21 O=[N+]([O-])c1cccc(c1)[*:1] O=C(CNC(=O)[*:1])OCC(=O)N1CCCc2ccccc21
CCOCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] CCOC[*:1] Cc1cc(c(cc1C)S(=O)(=O)[N-]c1ccccc1[*:1])[N+](=O)[O-]
CCOCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[*:1]
CCOCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] CCO[*:1] Cc1cc(c(cc1C)S(=O)(=O)[N-]c1ccccc1C[*:1])[N+](=O)[O-]
COCc1ccccc1CNC(=O)N[C@H](C)[C@@H](C)CO C[C@@H](CO)[*:1] COCc1ccccc1CNC(=O)N[C@H](C)[*:1]
COCc1ccccc1CNC(=O)N[C@H](C)[C@@H](C)CO COC[*:1] C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccccc1[*:1]
CCc1cnc(CCNC(=O)NCC(C)C)s1 CC(C)C[*:1] CCc1cnc(CCNC(=O)N[*:1])s1
CCc1cnc(CCNC(=O)NCC(C)C)s1 CC(C)[*:1] CCc1cnc(CCNC(=O)NC[*:1])s1
O=C(Nc1ccc(F)c(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 c1cn(cn1)[*:1] O=C(Nc1ccc(F)c(F)c1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(Nc1ccc(F)c(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(F)c(F)c1)c1ccc(c(c1)[*:1])-n1ccnc1
O=C(Nc1ccc(F)c(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 Fc1ccc(cc1F)[*:1] O=C(N[*:1])c1ccc(c(c1)[N+](=O)[O-])-n1ccnc1
CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCCC(C)(C)CC1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCNC(=O)N1CCCC(C)(C)CC1
CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCCC(C)(C)CC1 c1ccc(cc1)C[*:1] CN(C(=O)CCNC(=O)N1CCCC(C)(C)CC1)[*:1]
COc1ccccc1NC1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccccc1NC1CCN(CC1)C(=O)C=C[*:1]
COc1ccccc1NC1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 COc1ccccc1[*:1] O=C(/C=C/c1ccc(F)cc1)N1CCC(CC1)N[*:1]
Cc1ccccc1CC(=O)N1CCN(Cc2ccn(C(C)C)n2)CC1 Cc1ccccc1C[*:1] CC(C)n1ccc(CN2CCN(CC2)C(=O)[*:1])n1
Cc1ccccc1CC(=O)N1CCN(Cc2ccn(C(C)C)n2)CC1 CC(C)[*:1] Cc1ccccc1CC(=O)N1CCN(CC1)Cc1ccn(n1)[*:1]
Cc1ccccc1CC(=O)N1CCN(Cc2ccn(C(C)C)n2)CC1 CC(C)n1ccc(n1)[*:1] Cc1ccccc1CC(=O)N1CCN(CC1)C[*:1]
Cc1ccccc1CC(=O)N1CCN(Cc2ccn(C(C)C)n2)CC1 Cc1ccccc1[*:1] CC(C)n1ccc(CN2CCN(CC2)C(=O)C[*:1])n1
CC1(C)C(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1(C)C O=C([O-])[*:1] CC1(C)C(NC(=O)[C@@H]2CCC[C@@H](C2)[*:1])C1(C)C
CC1=c2cc(F)ccc2=[NH+][C@@H]1c1c(-c2ccccc2)ncn1Cc1ncn[nH]1 c1ccc(cc1)[*:1] CC1=c2cc(F)ccc2=[NH+][C@@H]1c1c(ncn1Cc1ncn[nH]1)[*:1]
CC1=c2cc(F)ccc2=[NH+][C@@H]1c1c(-c2ccccc2)ncn1Cc1ncn[nH]1 c1n[nH]c(n1)[*:1] CC1=c2cc(F)ccc2=[NH+][C@@H]1c1c(ncn1C[*:1])-c1ccccc1
CC1=c2cc(F)ccc2=[NH+][C@@H]1c1c(-c2ccccc2)ncn1Cc1ncn[nH]1 c1n[nH]c(C[*:1])n1 CC1=c2cc(F)ccc2=[NH+][C@@H]1c1c(ncn1[*:1])-c1ccccc1
COc1ccc(Cc2nc3ccccc3n2CC(=O)N2CCCC[C@@H]2C)cc1OC COc1ccc(cc1OC)[*:1] C[C@H]1CCCCN1C(=O)Cn1c(C[*:1])nc2ccccc21
CS(=O)(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CS(=O)(=O)N1CCO[C@H](C1)c1cccc(c1)[*:1]
Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](O)C3CCCC3)c(C)n2n1 O[C@@H](C1CCCC1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)[NH2+]C[*:1]
Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](O)C3CCCC3)c(C)n2n1 C1CCC(C1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)[NH2+]C[C@@H](O)[*:1]
Cc1ccccc1-c1cnc(NC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)s1 Cc1ccccc1[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Nc1ncc(s1)[*:1]
COc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1[N+](=O)[O-] CC(C)[*:1] COc1ccc(cc1[N+](=O)[O-])NC(=O)c1cccc(c1)O[*:1]
COc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1[N+](=O)[O-] CC(C)O[*:1] COc1ccc(cc1[N+](=O)[O-])NC(=O)c1cccc(c1)[*:1]
COc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])NC(=O)c1cccc(c1)OC(C)C
CC[C@H](CCO)CNC(=O)/C=C/c1cccc(Cl)c1Cl OCC[*:1] CC[C@H](CNC(=O)/C=C/c1cccc(Cl)c1Cl)[*:1]
CC[C@H](CCO)CNC(=O)/C=C/c1cccc(Cl)c1Cl CC[C@H](CCO)[*:1] O=C(/C=C/c1cccc(Cl)c1Cl)NC[*:1]
O=C(Nc1cccs1)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(Nc1cccs1)N[C@@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1cccs1)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 c1csc(c1)[*:1] O=C(N[C@@H]1CC(=O)N(CCCc2ccccc2)C1)N[*:1]
O=C(Nc1cccs1)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Nc1cccs1)N[C@@H]1CC(=O)N(CC[*:1])C1
O=C(Nc1cccs1)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1cccs1)N[C@@H]1CC(=O)N(CCC[*:1])C1
O=C(Nc1sc2c(c1[C@H](c1ccc3c(c1)OCO3)N1CCOCC1)CCCC2)c1ccco1 C1CN(CCO1)[*:1] O=C(Nc1sc2CCCCc2c1[C@H](c1ccc2OCOc2c1)[*:1])c1ccco1
O=C(Nc1sc2c(c1[C@H](c1ccc3c(c1)OCO3)N1CCOCC1)CCCC2)c1ccco1 c1coc(c1)[*:1] O=C(Nc1sc2CCCCc2c1[C@H](c1ccc2OCOc2c1)N1CCOCC1)[*:1]
O=C(Nc1sc2c(c1[C@H](c1ccc3c(c1)OCO3)N1CCOCC1)CCCC2)c1ccco1 O=C(N[*:1])c1ccco1 c1cc2OCOc2cc1[C@@H](c1c(sc2CCCCc21)[*:1])N1CCOCC1
O=C(Nc1sc2c(c1[C@H](c1ccc3c(c1)OCO3)N1CCOCC1)CCCC2)c1ccco1 c1cc2OCOc2cc1[*:1] O=C(Nc1sc2CCCCc2c1[C@H](N1CCOCC1)[*:1])c1ccco1
COc1ccccc1C(=O)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 COc1ccccc1[*:1] O=C(N1CC[NH+](CC1)Cc1c[nH]c2ccccc12)[*:1]
COc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])NC(=O)NCCc1cccc(Cl)c1
COc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1NC(C)=O Clc1cccc(c1)C[*:1] COc1ccc(cc1NC(C)=O)NC(=O)NC[*:1]
COc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1NC(C)=O Clc1cccc(c1)[*:1] COc1ccc(cc1NC(C)=O)NC(=O)NCC[*:1]
CC[C@@H]1CO[C@@H](C)CN1/C=C/C(=O)OC COC(=O)[*:1] CC[C@@H]1CO[C@@H](C)CN1C=C[*:1]
COc1ccccc1OCC[NH2+]C1CC1 C1CC1[*:1] COc1ccccc1OCC[NH2+][*:1]
COc1cccc([C@H](C)N2CC[NH+](CCCc3nnc(C)o3)CC2)c1 Cc1nnc(o1)[*:1] COc1cccc(c1)[C@H](C)N1CC[NH+](CCC[*:1])CC1
COc1cccc([C@H](C)N2CC[NH+](CCCc3nnc(C)o3)CC2)c1 COc1cccc(c1)[*:1] Cc1nnc(CCC[NH+]2CCN(CC2)[C@@H](C)[*:1])o1
COc1cccc([C@H](C)N2CC[NH+](CCCc3nnc(C)o3)CC2)c1 Cc1nnc(C[*:1])o1 COc1cccc(c1)[C@H](C)N1CC[NH+](CC1)CC[*:1]
COc1cccc([C@H](C)N2CC[NH+](CCCc3nnc(C)o3)CC2)c1 Cc1nnc(CC[*:1])o1 COc1cccc(c1)[C@H](C)N1CC[NH+](CC1)C[*:1]
CN(C)C(=O)c1cc(NC(=O)NCCn2cccc2)ccc1F c1ccn(c1)CC[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)N[*:1]
CN(C)C(=O)c1cc(NC(=O)NCCn2cccc2)ccc1F CN(C)C(=O)[*:1] O=C(NCCn1cccc1)Nc1ccc(F)c(c1)[*:1]
CN(C)C(=O)c1cc(NC(=O)NCCn2cccc2)ccc1F c1ccn(c1)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)NCC[*:1]
CN(C)C(=O)c1cc(NC(=O)NCCn2cccc2)ccc1F c1ccn(c1)C[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)NC[*:1]
COc1ccc(CN2CCOC[C@H]2c2ccc(C)o2)c(Cl)c1OC Cc1ccc(o1)[*:1] COc1ccc(CN2CCOC[C@@H]2[*:1])c(Cl)c1OC
Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3cccc[nH+]3)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(CC1)c1cccc[nH+]1)[*:1]
Cn1cc(-c2ccccc2NC(=O)Nc2ccc(Cl)cc2)cn1 Cn1cc(cn1)[*:1] O=C(Nc1ccc(Cl)cc1)Nc1ccccc1[*:1]
Cn1cc(-c2ccccc2NC(=O)Nc2ccc(Cl)cc2)cn1 Clc1ccc(cc1)[*:1] Cn1cc(cn1)-c1ccccc1NC(=O)N[*:1]
COc1ccc(Cc2nnc(CCc3ccccc3)s2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)Cc1nnc(C[*:1])s1
COc1ccc(Cc2nnc(CCc3ccccc3)s2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)Cc1nnc(CC[*:1])s1
COCC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 COCC(=O)N[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1[*:1]
COCC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 COC[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1NC(=O)[*:1]
COCC(=O)Nc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] COCC(=O)Nc1ccccc1NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(F)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] Cc1ccc(F)c(c1)NC(=O)[C@@H](C)O[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)C(=O)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)c2ccc(Cl)cc2)C1 CCNS(=O)(=O)[*:1] O=C(C(=O)N1CC[C@H](C1)[*:1])c1ccc(Cl)cc1
CCS(=O)(=O)CCn1cc(NC(=O)c2ccc(C)c(F)c2)cn1 CCS(=O)(=O)CC[*:1] Cc1ccc(cc1F)C(=O)Nc1cnn(c1)[*:1]
CCS(=O)(=O)CCn1cc(NC(=O)c2ccc(C)c(F)c2)cn1 CCS(=O)(=O)[*:1] Cc1ccc(cc1F)C(=O)Nc1cnn(c1)CC[*:1]
CCS(=O)(=O)CCn1cc(NC(=O)c2ccc(C)c(F)c2)cn1 CCS(=O)(=O)C[*:1] Cc1ccc(cc1F)C(=O)Nc1cnn(c1)C[*:1]
CC(C)(C)NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)[C@H]1CC(=O)N(CC[*:1])C1
CC(C)(C)NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 CC(C)(C)NC(=O)[*:1] O=C1C[C@@H](CN1CCc1ccccc1)[*:1]
CC(C)(C)NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CC(C)(C)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
CC(C)(C)NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 CC(C)(C)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCc2ccccc2)C1
CC[C@@H]1CO/C(=C(\C=C(/Cl)[N+](=O)[O-])[N+](=O)[O-])N1Cc1ccc(Cl)nc1 O=[N+]([O-])[*:1] CC[C@@H]1CO/C(=C(\C=C(/Cl)[*:1])[N+](=O)[O-])N1Cc1ccc(Cl)nc1
CC[C@@H]1CO/C(=C(\C=C(/Cl)[N+](=O)[O-])[N+](=O)[O-])N1Cc1ccc(Cl)nc1 O=[N+]([O-])[*:1] CC[C@@H]1COC(=C(/C=C(\Cl)[N+](=O)[O-])[*:1])N1Cc1ccc(Cl)nc1
CC[C@@H]1CO/C(=C(\C=C(/Cl)[N+](=O)[O-])[N+](=O)[O-])N1Cc1ccc(Cl)nc1 Clc1ccc(cn1)C[*:1] CC[C@@H]1CO/C(=C(\C=C(/Cl)[N+](=O)[O-])[N+](=O)[O-])N1[*:1]
CC[C@@H]1CO/C(=C(\C=C(/Cl)[N+](=O)[O-])[N+](=O)[O-])N1Cc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CC[C@@H]1CO/C(=C(\C=C(/Cl)[N+](=O)[O-])[N+](=O)[O-])N1C[*:1]
Cc1ccc(Oc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nn1 Cc1ccc(nn1)[*:1] C[C@H](NC(=O)c1ccc(cc1)O[*:1])c1ccccc1
Cc1ccc(Oc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nn1 Cc1ccc(nn1)O[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1
Cc1ccc(Oc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nn1 C[C@@H](c1ccccc1)[*:1] Cc1ccc(nn1)Oc1ccc(cc1)C(=O)N[*:1]
Cc1ccc(Oc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nn1 c1ccc(cc1)[*:1] Cc1ccc(nn1)Oc1ccc(cc1)C(=O)N[C@@H](C)[*:1]
CCCCOc1cccc(C(=O)Nc2nnc(-c3cccc(F)c3)o2)c1 CCCC[*:1] O=C(Nc1nnc(o1)-c1cccc(F)c1)c1cccc(c1)O[*:1]
CCCCOc1cccc(C(=O)Nc2nnc(-c3cccc(F)c3)o2)c1 CCC[*:1] O=C(Nc1nnc(o1)-c1cccc(F)c1)c1cccc(c1)OC[*:1]
CCCCOc1cccc(C(=O)Nc2nnc(-c3cccc(F)c3)o2)c1 CCCCO[*:1] O=C(Nc1nnc(o1)-c1cccc(F)c1)c1cccc(c1)[*:1]
CCCCOc1cccc(C(=O)Nc2nnc(-c3cccc(F)c3)o2)c1 Fc1cccc(c1)[*:1] CCCCOc1cccc(c1)C(=O)Nc1nnc(o1)[*:1]
O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 c1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])[C@@H]1CC(Cc2ccc3OCOc3c2)=NO1
O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 c1cc2OCOc2cc1C[*:1] O=C(NCC1(CCOCC1)c1ccccc1)[C@@H]1CC(=NO1)[*:1]
O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 c1cc2OCOc2cc1[*:1] O=C(NCC1(CCOCC1)c1ccccc1)[C@@H]1CC(C[*:1])=NO1
OC[C@]1([NH2+]C2CC2)CCC[C@H](n2cc(C(F)(F)F)cn2)C1 C1CC1[*:1] OC[C@@]1(CCC[C@@H](C1)n1cc(cn1)C(F)(F)F)[NH2+][*:1]
OC[C@]1([NH2+]C2CC2)CCC[C@H](n2cc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] OC[C@@]1(CCC[C@@H](C1)n1cc(cn1)[*:1])[NH2+]C1CC1
COCc1nc([C@@H]2CSCCO2)nc([O-])c1Br COC[*:1] [O-]c1nc(nc(c1Br)[*:1])[C@@H]1CSCCO1
COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OC O=C1CCCN1[*:1] COc1ccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])cc1OC
O=C(CC[C@H]1CCCO1)N[C@H]1CCCOc2ccccc21 C1CO[C@H](C1)CC[*:1] O=C(N[C@H]1CCCOc2ccccc21)[*:1]
O=C(CC[C@H]1CCCO1)N[C@H]1CCCOc2ccccc21 C1CO[C@H](C1)[*:1] O=C(CC[*:1])N[C@H]1CCCOc2ccccc21
O=C(CC[C@H]1CCCO1)N[C@H]1CCCOc2ccccc21 C1CO[C@H](C1)C[*:1] O=C(C[*:1])N[C@H]1CCCOc2ccccc21
CC(C)[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1cccs1 CC(C)[*:1] CS(=O)(=O)Cc1cccc(c1)C(=O)N[C@H](c1cccs1)[*:1]
CC(C)[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1cccs1 CS(=O)(=O)[*:1] CC(C)[C@H](NC(=O)c1cccc(c1)C[*:1])c1cccs1
CC(C)[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1cccs1 c1csc(c1)[*:1] CC(C)[C@H](NC(=O)c1cccc(c1)CS(C)(=O)=O)[*:1]
CC(C)[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1cccs1 CS(=O)(=O)C[*:1] CC(C)[C@H](NC(=O)c1cccc(c1)[*:1])c1cccs1
Cc1cccc(-c2cnc(Nc3cccc(C(=O)N4CCC(C)CC4)c3)nc2)c1 Cc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)c1cccc(c1)Nc1ncc(cn1)[*:1]
Cc1cccc(-c2cnc(Nc3cccc(C(=O)N4CCC(C)CC4)c3)nc2)c1 CC1CCN(CC1)C(=O)[*:1] Cc1cccc(c1)-c1cnc(nc1)Nc1cccc(c1)[*:1]
Nc1ccc(SCCn2cc(C(=O)[O-])nn2)cc1Cl O=C([O-])[*:1] Nc1ccc(cc1Cl)SCCn1cc(nn1)[*:1]
CCN(Cc1ccccc1)C(=O)Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21 C1CC1c1noc(n1)[*:1] CCN(Cc1ccccc1)C(=O)Cn1c(=O)cc(c2ccccc21)[*:1]
CCN(Cc1ccccc1)C(=O)Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21 c1ccc(cc1)C[*:1] CCN(C(=O)Cn1c(=O)cc(-c2nc(no2)C2CC2)c2ccccc21)[*:1]
CCN(Cc1ccccc1)C(=O)Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21 C1CC1[*:1] CCN(Cc1ccccc1)C(=O)Cn1c(=O)cc(-c2nc(no2)[*:1])c2ccccc21
CCN(Cc1ccccc1)C(=O)Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)Cn1c(=O)cc(-c2nc(no2)C2CC2)c2ccccc21
C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O FC(F)(F)[*:1] C[C@H](C(=O)Nc1cccc(c1)[*:1])N1C(=O)[C@H]2CCCC[C@H]2C1=O
C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccn(n1)[*:1]
O=C(CC1(O)CCCC1)N1CCC[C@@H]1COc1ccccc1 c1ccc(cc1)O[*:1] O=C(CC1(O)CCCC1)N1CCC[C@@H]1C[*:1]
O=C(CC1(O)CCCC1)N1CCC[C@@H]1COc1ccccc1 OC1(CCCC1)[*:1] O=C(C[*:1])N1CCC[C@@H]1COc1ccccc1
O=C(CC1(O)CCCC1)N1CCC[C@@H]1COc1ccccc1 OC1(CCCC1)C[*:1] O=C(N1CCC[C@@H]1COc1ccccc1)[*:1]
O=C(CC1(O)CCCC1)N1CCC[C@@H]1COc1ccccc1 c1ccc(cc1)[*:1] O=C(CC1(O)CCCC1)N1CCC[C@@H]1CO[*:1]
C[C@H]1C[C@@H]1NC(=O)c1ccccc1OCC(N)=O NC(=O)CO[*:1] C[C@H]1C[C@@H]1NC(=O)c1ccccc1[*:1]
C[C@H]1C[C@@H]1NC(=O)c1ccccc1OCC(N)=O NC(=O)C[*:1] C[C@H]1C[C@@H]1NC(=O)c1ccccc1O[*:1]
C[C@H]1C[C@@H]1NC(=O)c1ccccc1OCC(N)=O NC(=O)[*:1] C[C@H]1C[C@@H]1NC(=O)c1ccccc1OC[*:1]
C#CCCCC[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C C#CC[*:1] C[C@H]1[C@@H](CC(=O)N1Cc1ccccc1)[NH2+]CCC[*:1]
C#CCCCC[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C C#CCC[*:1] C[C@H]1[C@@H](CC(=O)N1Cc1ccccc1)[NH2+]CC[*:1]
C#CCCCC[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C c1ccc(cc1)[*:1] C#CCCCC[NH2+][C@@H]1CC(=O)N(C[*:1])[C@H]1C
C#CCCCC[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C c1ccc(cc1)C[*:1] C#CCCCC[NH2+][C@@H]1CC(=O)N([C@H]1C)[*:1]
C#CCCCC[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C C#CCCC[*:1] C[C@H]1[C@@H](CC(=O)N1Cc1ccccc1)[NH2+]C[*:1]
C[NH+](C)[C@H](CNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)c1cccc(c1)CN1C(=O)c2ccccc2C1=O)[*:1]
C[NH+](C)[C@H](CNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1cccc(F)c1 O=C1c2ccccc2C(=O)N1[*:1] C[NH+](C)[C@H](CNC(=O)c1cccc(c1)C[*:1])c1cccc(F)c1
N#C/C(=N/Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] N#C/C(=N/Nc1cccc(c1)[N+](=O)[O-])c1nc(cs1)[*:1]
N#C/C(=N/Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 O=[N+]([O-])[*:1] N#C/C(=N/Nc1cccc(c1)[*:1])c1nc(cs1)-c1ccccc1
CC[C@H](Cc1ccccc1)NC(=O)NCc1ccccn1 c1ccc(C[*:1])nc1 CC[C@H](Cc1ccccc1)NC(=O)N[*:1]
CC[C@H](Cc1ccccc1)NC(=O)NCc1ccccn1 c1ccc(cc1)C[*:1] CC[C@H](NC(=O)NCc1ccccn1)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)NCc1ccccn1 c1ccc(nc1)[*:1] CC[C@H](Cc1ccccc1)NC(=O)NC[*:1]
CC[C@H](Cc1ccccc1)NC(=O)NCc1ccccn1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)NCc1ccccn1
O=C(Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1)NC1CC1 O=C(NC1CC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc(F)c(F)c1
O=C(Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1)NC1CC1 Fc1ccc(cc1F)[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])NC1CC1
O=C(Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Nc1ccc(cc1)[*:1])c1ccc(F)c(F)c1
O=C(Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1)NC1CC1 C1CC1[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccc(F)c(F)c1)N[*:1]
CCCNC(=O)c1cccc(C(=O)N2CCO[C@@H](C)C2)c1 CCCNC(=O)[*:1] C[C@H]1CN(CCO1)C(=O)c1cccc(c1)[*:1]
CCCNC(=O)c1cccc(C(=O)N2CCO[C@@H](C)C2)c1 CCC[*:1] C[C@H]1CN(CCO1)C(=O)c1cccc(c1)C(=O)N[*:1]
O=C(Nc1ccc(F)c(F)c1)c1ccc(CNC(=O)c2nccc3nc[n-]c23)cc1 Fc1ccc(cc1F)[*:1] O=C(N[*:1])c1ccc(cc1)CNC(=O)c1nccc2nc[n-]c12
CC/C(=N/O)c1ccc(OC[C@@H]2CN(C)CCO2)cc1 CCC(=NO)[*:1] CN1CCO[C@H](COc2ccc(cc2)[*:1])C1
O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 Clc1cccc(c1)[*:1] O=C(c1ccc(F)cc1Cl)N1CCN(CC1)C(=O)[*:1]
O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 Fc1ccc(c(Cl)c1)[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)C(=O)[*:1]
CCOC(=O)c1[nH]c2ccccc2c1NC(=S)N1CCCC1 CCOC(=O)[*:1] S=C(Nc1c([nH]c2ccccc12)[*:1])N1CCCC1
COc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)N1C[C@@H](C)C[C@@H](C)C1
Cc1cc(CN2CCCN(c3ncccn3)CC2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(CN2CCCN(CC2)c2ncccn2)c(C)n1[*:1]
Cc1cc(CN2CCCN(c3ncccn3)CC2)c(C)n1C1CC1 c1cnc(nc1)[*:1] Cc1cc(CN2CCCN(CC2)[*:1])c(C)n1C1CC1
C#CCN1C=[NH+][C@@H](c2ccc(C3CC3)cc2)C1=[NH2+] C1CC1[*:1] C#CCN1C=[NH+][C@H](C1=[NH2+])c1ccc(cc1)[*:1]
C#CCN1C=[NH+][C@@H](c2ccc(C3CC3)cc2)C1=[NH2+] C#CC[*:1] [NH2+]=C1[C@@H]([NH+]=CN1[*:1])c1ccc(cc1)C1CC1
CC(C)[C@H](NC(=O)COc1ccccc1F)c1ccc2c(c1)OCCO2 Fc1ccccc1O[*:1] CC(C)[C@H](NC(=O)C[*:1])c1ccc2OCCOc2c1
CC(C)[C@H](NC(=O)COc1ccccc1F)c1ccc2c(c1)OCCO2 Fc1ccccc1[*:1] CC(C)[C@H](NC(=O)CO[*:1])c1ccc2OCCOc2c1
CC(C)[C@H](NC(=O)COc1ccccc1F)c1ccc2c(c1)OCCO2 CC(C)[*:1] O=C(COc1ccccc1F)N[C@H](c1ccc2OCCOc2c1)[*:1]
C#CCN(CC#C)C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1 CCOC(=O)[*:1] C#CCN(CC#C)C(=O)c1ccc(cc1)-n1ncc(c1C)[*:1]
C#CCN(CC#C)C(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1 C#CC[*:1] C#CCN(C(=O)c1ccc(cc1)-n1ncc(C(=O)OCC)c1C)[*:1]
CN(CC(=O)OC(C)(C)C)C(=O)c1cn(C)c2ccccc12 CC(C)(C)OC(=O)[*:1] CN(C[*:1])C(=O)c1cn(C)c2ccccc12
CN(CC(=O)OC(C)(C)C)C(=O)c1cn(C)c2ccccc12 CC(C)(C)[*:1] CN(CC(=O)O[*:1])C(=O)c1cn(C)c2ccccc12
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1nnc2ccccn12 Clc1ccc(cc1)[*:1] CO[C@H]([C@H](C)NC(=O)Nc1nnc2ccccn12)[*:1]
Nc1[nH+]c(-c2ccccc2)cn1/N=C\c1ccc(Cl)cc1 c1ccc(cc1)[*:1] Nc1[nH+]c(cn1/N=C\c1ccc(Cl)cc1)[*:1]
Nc1[nH+]c(-c2ccccc2)cn1/N=C\c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nc1[nH+]c(cn1N=C[*:1])-c1ccccc1
CC(C)[C@@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)c1ccccn1 CC(C)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])N1CCC[C@H]1c1ccc2OCOc2c1
CC(C)[C@@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)c1ccccn1 c1cc2OCOc2cc1[*:1] CC(C)[C@@H](NC(=O)N1CCC[C@@H]1[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)N1CCC[C@H]1c1ccc2OCOc2c1)[*:1]
CC(=O)c1c[nH]c(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)c1 CC(=O)[*:1] O=C(c1cc(c[nH]1)[*:1])N1CCc2cc(Cl)cc(Cl)c2C1
O=C(NCc1cccc(Cl)c1)c1cc(-c2ccccc2)[nH]n1 Clc1cccc(c1)[*:1] O=C(NC[*:1])c1cc([nH]n1)-c1ccccc1
O=C(NCc1cccc(Cl)c1)c1cc(-c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] O=C(NCc1cccc(Cl)c1)c1cc([nH]n1)[*:1]
O=C(CCCn1cncn1)N[C@H]1CCc2[nH+]ccn2C1 c1ncn(n1)[*:1] O=C(CCC[*:1])N[C@H]1CCc2[nH+]ccn2C1
O=C(CCCn1cncn1)N[C@H]1CCc2[nH+]ccn2C1 c1ncn(C[*:1])n1 O=C(CC[*:1])N[C@H]1CCc2[nH+]ccn2C1
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccccc1F O=C1NCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1F
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccccc1F Fc1ccccc1[*:1] O=C1NCCN1c1ccc(cc1)NC(=O)[*:1]
CC(C)(C)c1csc(CN2CC(=O)N[C@@H](C3CC3)C2=O)n1 C1CC1[*:1] CC(C)(C)c1csc(CN2CC(=O)N[C@@H](C2=O)[*:1])n1
CC(C)(C)c1csc(CN2CC(=O)N[C@@H](C3CC3)C2=O)n1 CC(C)(C)[*:1] O=C1CN(Cc2nc(cs2)[*:1])C(=O)[C@@H](N1)C1CC1
Cc1cccc([C@H]2CCCCN2C(=O)[C@H](C)n2cccn2)c1C C[C@H](n1cccn1)[*:1] Cc1cccc(c1C)[C@H]1CCCCN1C(=O)[*:1]
Cc1cccc([C@H]2CCCCN2C(=O)[C@H](C)n2cccn2)c1C c1cnn(c1)[*:1] Cc1cccc(c1C)[C@H]1CCCCN1C(=O)[C@H](C)[*:1]
O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 Fc1ccc(F)c(c1)[*:1] O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 Fc1ccc(cc1)[*:1] O=C(NC1CC1)[C@H](N1CCN(CC1)S(=O)(=O)c1cc(F)ccc1F)[*:1]
O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 C1CC1[*:1] O=C(N[*:1])[C@H](c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)c1cc(F)ccc1F
O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 O=C(NC1CC1)[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCN(CC1)[C@@H](c1ccc(F)cc1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)c1cc(C)on1 C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)c1cc(C)on1
CCOc1ccc(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 CCO[*:1] O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 O=C([O-])[*:1] CCOc1ccc(cc1)C(=O)NNC(=O)[C@H]1CC=CC[C@@H]1[*:1]
Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(Cc2ccccc2)CC1)C(F)(F)F Cn1ccnc1[*:1] O=C(NCC[C@](O)(C(F)(F)F)[*:1])N1CCN(CC1)Cc1ccccc1
Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(Cc2ccccc2)CC1)C(F)(F)F c1ccc(cc1)C[*:1] Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(CC1)[*:1])C(F)(F)F
Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(Cc2ccccc2)CC1)C(F)(F)F c1ccc(cc1)[*:1] Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(CC1)C[*:1])C(F)(F)F
Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(Cc2ccccc2)CC1)C(F)(F)F FC(F)(F)[*:1] Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(CC1)Cc1ccccc1)[*:1]
O=C(CCSc1ccccc1)Nc1nc2c(F)cccc2s1 c1ccc(cc1)S[*:1] O=C(CC[*:1])Nc1nc2c(F)cccc2s1
O=C(CCSc1ccccc1)Nc1nc2c(F)cccc2s1 c1ccc(cc1)[*:1] O=C(CCS[*:1])Nc1nc2c(F)cccc2s1
Cc1cccc(O[C@H](C)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N1CCC[C@H](C1)C(=O)[O-]
Cc1cccc(O[C@H](C)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 O=C([O-])[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N1CCC[C@@H](C1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2csnn2)C1 CC(C)C[*:1] O=C(c1csnn1)N1CC[C@@H](C1)OC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2csnn2)C1 c1snnc1[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2csnn2)C1 CC(C)CC[*:1] O=C(c1csnn1)N1CC[C@@H](C1)O[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2csnn2)C1 CC(C)[*:1] O=C(c1csnn1)N1CC[C@@H](C1)OCC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2csnn2)C1 CC(C)CCO[*:1] O=C(c1csnn1)N1CC[C@@H](C1)[*:1]
CC(C)Cc1cn([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)nn1 CC(C)[*:1] O[C@H]1[C@@H](c2ccccc2C12CC[NH2+]CC2)n1cc(C[*:1])nn1
CC(C)Cc1cn([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)nn1 CC(C)C[*:1] O[C@H]1[C@@H](c2ccccc2C12CC[NH2+]CC2)n1cc(nn1)[*:1]
Cc1cc(C)cc(N(Cc2ccccc2C)C2=[NH+][C@H]3CS(=O)(=O)C[C@H]3S2)c1 Cc1ccccc1C[*:1] Cc1cc(C)cc(c1)N(C1=[NH+][C@H]2CS(=O)(=O)C[C@H]2S1)[*:1]
Cc1cc(C)cc(N(Cc2ccccc2C)C2=[NH+][C@H]3CS(=O)(=O)C[C@H]3S2)c1 Cc1cc(C)cc(c1)[*:1] Cc1ccccc1CN(C1=[NH+][C@H]2CS(=O)(=O)C[C@H]2S1)[*:1]
Cc1cc(C)cc(N(Cc2ccccc2C)C2=[NH+][C@H]3CS(=O)(=O)C[C@H]3S2)c1 Cc1ccccc1[*:1] Cc1cc(C)cc(c1)N(C[*:1])C1=[NH+][C@H]2CS(=O)(=O)C[C@H]2S1
C[C@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1nc2ccccc2n1C(F)F Fc1ccc(cc1)[*:1] C[C@H](OC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1])c1nc2ccccc2n1C(F)F
C[C@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@H](OC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1)c1nc2ccccc2n1[*:1]
CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)N2Cc3ccccc3-c3ccccc3C2)cc1 CN(C)S(=O)(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1Cc2ccccc2-c2ccccc2C1
O=C(c1c(F)c(F)c(F)c(F)c1F)N1CC[NH+](CCO)CC1 OCC[*:1] O=C(c1c(F)c(F)c(F)c(F)c1F)N1CC[NH+](CC1)[*:1]
CCCNC(=O)Nc1ccc(SCC)nc1 CCC[*:1] CCSc1ccc(cn1)NC(=O)N[*:1]
CCCNC(=O)Nc1ccc(SCC)nc1 CCS[*:1] CCCNC(=O)Nc1ccc(nc1)[*:1]
COCc1nc(C)c(C(=O)N(CCO)Cc2ccccc2)s1 OCC[*:1] COCc1nc(C)c(s1)C(=O)N(Cc1ccccc1)[*:1]
COCc1nc(C)c(C(=O)N(CCO)Cc2ccccc2)s1 COC[*:1] Cc1nc(sc1C(=O)N(CCO)Cc1ccccc1)[*:1]
COCc1nc(C)c(C(=O)N(CCO)Cc2ccccc2)s1 c1ccc(cc1)C[*:1] COCc1nc(C)c(s1)C(=O)N(CCO)[*:1]
COCc1nc(C)c(C(=O)N(CCO)Cc2ccccc2)s1 c1ccc(cc1)[*:1] COCc1nc(C)c(s1)C(=O)N(CCO)C[*:1]
CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2CC(C)C)cn1 CC(C)[*:1] CCn1cc(cn1)S(=O)(=O)N1CCCCC[C@@H]1C[*:1]
CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2CC(C)C)cn1 CCn1cc(cn1)[*:1] CC(C)C[C@H]1CCCCCN1S(=O)(=O)[*:1]
CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2CC(C)C)cn1 CC(C)C[*:1] CCn1cc(cn1)S(=O)(=O)N1CCCCC[C@H]1[*:1]
CCOCCN(C)C(=O)c1cn(Cc2cccnc2)nn1 CCO[*:1] CN(CC[*:1])C(=O)c1cn(Cc2cccnc2)nn1
CCOCCN(C)C(=O)c1cn(Cc2cccnc2)nn1 CCOCC[*:1] CN(C(=O)c1cn(Cc2cccnc2)nn1)[*:1]
CCOCCN(C)C(=O)c1cn(Cc2cccnc2)nn1 CCOC[*:1] CN(C[*:1])C(=O)c1cn(Cc2cccnc2)nn1
CCOCCN(C)C(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)C[*:1] CCOCCN(C)C(=O)c1cn(nn1)[*:1]
CCOCCN(C)C(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)[*:1] CCOCCN(C)C(=O)c1cn(C[*:1])nn1
CCOc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CCOc1ccc(cc1)CNC(=O)c1cn[nH]c1[*:1]
CCOc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1 CCO[*:1] O=C(NCc1ccc(cc1)[*:1])c1cn[nH]c1-c1cccc(Cl)c1
Cc1sc2[nH]c(SCC(=O)[O-])nc(=O)c2c1C O=C([O-])[*:1] Cc1sc2[nH]c(nc(=O)c2c1C)SC[*:1]
Cc1sc2[nH]c(SCC(=O)[O-])nc(=O)c2c1C O=C([O-])CS[*:1] Cc1sc2[nH]c(nc(=O)c2c1C)[*:1]
Cc1sc2[nH]c(SCC(=O)[O-])nc(=O)c2c1C O=C([O-])C[*:1] Cc1sc2[nH]c(nc(=O)c2c1C)S[*:1]
CN1CC(=O)N(Cc2ccc(C(=O)NN)cn2)CC1=O NNC(=O)[*:1] CN1CC(=O)N(CC1=O)Cc1ccc(cn1)[*:1]
CNS(=O)(=O)[C@H]1CCOC[C@@H]1Cc1ccccc1C CNS(=O)(=O)[*:1] Cc1ccccc1C[C@H]1COCC[C@@H]1[*:1]
O=C1CCCCC1(C(=O)c1ccccc1Cl)C(=O)c1ccccc1Cl Clc1ccccc1[*:1] O=C1CCCCC1(C(=O)c1ccccc1Cl)C(=O)[*:1]
CC[N+](CC)(CC)c1ccsc1NC(C)=O CC(=O)N[*:1] CC[N+](CC)(CC)c1ccsc1[*:1]
Cc1ncc(Cn2cccc2[C@H](C)O)s1 C[C@H](O)[*:1] Cc1ncc(Cn2cccc2[*:1])s1
CCNc1cc(C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1cc(ccc1[*:1])C[NH+]1CCC(C)CC1
CCNc1cc(C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] CCN[*:1] CC1CC[NH+](CC1)Cc1ccc(c(c1)[*:1])[N+](=O)[O-]
CC(C)(F)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)(F)C(=O)Nc1ccc(cc1)S(=O)(=O)NC[*:1]
CC(C)(F)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 CC(C)(F)C(=O)N[*:1] O=S(=O)(NCC(F)(F)F)c1ccc(cc1)[*:1]
CC(C)(F)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 FC(F)(F)C[*:1] CC(C)(F)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)(F)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 CC(C)(F)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NCC(F)(F)F)[*:1]
CCOc1ccc(N(Cc2ccccc2C#N)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 N#Cc1ccccc1[*:1] CCOc1ccc(cc1)N(C[*:1])C1=N[C@H]2CS(=O)(=O)C[C@H]2S1
CCOc1ccc(N(Cc2ccccc2C#N)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 CCOc1ccc(cc1)[*:1] N#Cc1ccccc1CN(C1=N[C@H]2CS(=O)(=O)C[C@H]2S1)[*:1]
CCOc1ccc(N(Cc2ccccc2C#N)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 N#Cc1ccccc1C[*:1] CCOc1ccc(cc1)N(C1=N[C@H]2CS(=O)(=O)C[C@H]2S1)[*:1]
CCOc1ccc(N(Cc2ccccc2C#N)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 CCO[*:1] N#Cc1ccccc1CN(C1=N[C@H]2CS(=O)(=O)C[C@H]2S1)c1ccc(cc1)[*:1]
O=C(NC[C@@H]1CCCO1)c1cccc(CNCc2cccs2)c1 c1csc(c1)CN[*:1] O=C(NC[C@@H]1CCCO1)c1cccc(c1)C[*:1]
O=C(NC[C@@H]1CCCO1)c1cccc(CNCc2cccs2)c1 c1csc(c1)[*:1] O=C(NC[C@@H]1CCCO1)c1cccc(c1)CNC[*:1]
O=C(NC[C@@H]1CCCO1)c1cccc(CNCc2cccs2)c1 c1csc(c1)C[*:1] O=C(NC[C@@H]1CCCO1)c1cccc(c1)CN[*:1]
O=C(NC[C@@H]1CCCO1)c1cccc(CNCc2cccs2)c1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])c1cccc(c1)CNCc1cccs1
O=C(NC[C@@H]1CCCO1)c1cccc(CNCc2cccs2)c1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])c1cccc(c1)CNCc1cccs1
Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2c(C)nn(C)c2C)n1 Cc1nn(C)c(C)c1[*:1] Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c(n1)NN=C[*:1]
Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2c(C)nn(C)c2C)n1 Cc1cc(Br)ccc1[*:1] Cc1nn(C)c(C)c1/C=N/Nc1nc(n[nH]1)SCC(=O)N[*:1]
C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C)[*:1]
Cc1cccc([C@H](O)c2cccc(C3CC3)c2)c1C C1CC1[*:1] Cc1cccc(c1C)[C@H](O)c1cccc(c1)[*:1]
Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)s1 FC(F)(F)O[*:1] Cc1nc(C)c(s1)-c1ccc(=O)n(CCNC(=O)Nc2ccc(cc2)[*:1])n1
Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)s1 FC(F)(F)[*:1] Cc1nc(C)c(s1)-c1ccc(=O)n(CCNC(=O)Nc2ccc(cc2)O[*:1])n1
Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)s1 Cc1nc(C)c(s1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])Nc1ccc(cc1)OC(F)(F)F
CCN(C(=O)C[C@H]1CCS(=O)(=O)C1)[C@H](C)Cc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(C(=O)C[C@H]1CCS(=O)(=O)C1)[C@H](C)C[*:1]
CC(C)CC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 CC(C)C[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
CC(C)CC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CC(C)CC(=O)N1CCC(CC1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)CC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 CC(C)[*:1] O=C(NC1CCN(CC1)C(=O)C[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
N#Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)OCC(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
N#Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 N#Cc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
N#Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 FC(F)(F)c1cccc(c1)[*:1] N#Cc1ccc(cc1)OCC(=O)Nc1cccc(c1)C(=O)N[*:1]
N#Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
N#Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 N#Cc1ccc(cc1)OC[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1cccc(c1)NC(=O)[*:1]
Cc1ccc2ncc(C(=O)OCc3ncc(Cl)n3C)n2c1 Cn1c(Cl)cnc1[*:1] Cc1ccc2ncc(C(=O)OC[*:1])n2c1
CN(CC1CC1)C(=O)C1CCC1 C1CC1C[*:1] CN(C(=O)C1CCC1)[*:1]
CN(CC1CC1)C(=O)C1CCC1 C1CC(C1)[*:1] CN(CC1CC1)C(=O)[*:1]
CN(CC1CC1)C(=O)C1CCC1 C1CC1[*:1] CN(C[*:1])C(=O)C1CCC1
CCCOC[C@H]([NH3+])C1(N(C)C)CCCCC1 CN(C)[*:1] CCCOC[C@H]([NH3+])C1(CCCCC1)[*:1]
CCCOC[C@H]([NH3+])C1(N(C)C)CCCCC1 CCC[*:1] CN(C)C1(CCCCC1)[C@@H]([NH3+])CO[*:1]
CCCOC[C@H]([NH3+])C1(N(C)C)CCCCC1 CCCO[*:1] CN(C)C1(CCCCC1)[C@@H]([NH3+])C[*:1]
CCCOC[C@H]([NH3+])C1(N(C)C)CCCCC1 CCCOC[*:1] CN(C)C1(CCCCC1)[C@@H]([NH3+])[*:1]
C[C@H](CNC(=O)N(C)C[C@H]1CCCO1)c1ccc(F)c(F)c1 C1CO[C@H](C1)C[*:1] C[C@H](CNC(=O)N(C)[*:1])c1ccc(F)c(F)c1
C[C@H](CNC(=O)N(C)C[C@H]1CCCO1)c1ccc(F)c(F)c1 C1CO[C@H](C1)[*:1] C[C@H](CNC(=O)N(C)C[*:1])c1ccc(F)c(F)c1
CC(=O)Nc1ccc(NC(=O)C[NH+]2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc(cs1)-c1ccco1)N[*:1]
CC(=O)Nc1ccc(NC(=O)C[NH+]2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1 c1coc(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C[NH+]1CCN(CC1)Cc1nc(cs1)[*:1]
CC(=O)Nc1ccc(NC(=O)C[NH+]2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1 CC(=O)N[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc(cs1)-c1ccco1)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)C[NH+]2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1 c1coc(c1)-c1csc(n1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C[NH+]1CCN(CC1)C[*:1]
COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)c1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[*:1]
COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)c1cccc[n+]1[O-] CC(C)[*:1] COc1ccc(Cl)cc1[C@H](C[*:1])NC(=O)c1cccc[n+]1[O-]
COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)c1cccc[n+]1[O-] CC(C)C[*:1] COc1ccc(Cl)cc1[C@H](NC(=O)c1cccc[n+]1[O-])[*:1]
CC1CCN(C(=O)C2CC[NH+](CCCSCc3ccccc3)CC2)CC1 c1ccc(cc1)C[*:1] CC1CCN(CC1)C(=O)C1CC[NH+](CCCS[*:1])CC1
CC1CCN(C(=O)C2CC[NH+](CCCSCc3ccccc3)CC2)CC1 c1ccc(cc1)CS[*:1] CC1CCN(CC1)C(=O)C1CC[NH+](CCC[*:1])CC1
CC1CCN(C(=O)C2CC[NH+](CCCSCc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)C1CC[NH+](CCCSC[*:1])CC1
COCc1nc(C)cc(Nc2cccc(OC[C@@H]3CCCO3)c2)n1 C1CO[C@@H](C1)CO[*:1] COCc1nc(C)cc(n1)Nc1cccc(c1)[*:1]
COCc1nc(C)cc(Nc2cccc(OC[C@@H]3CCCO3)c2)n1 C1CO[C@@H](C1)C[*:1] COCc1nc(C)cc(n1)Nc1cccc(c1)O[*:1]
COCc1nc(C)cc(Nc2cccc(OC[C@@H]3CCCO3)c2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])Nc1cccc(c1)OC[C@@H]1CCCO1
COCc1nc(C)cc(Nc2cccc(OC[C@@H]3CCCO3)c2)n1 C1CO[C@@H](C1)[*:1] COCc1nc(C)cc(n1)Nc1cccc(c1)OC[*:1]
O=C(Cn1c(-c2ccccc2)nc2ccccc2c1=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=c1c2ccccc2nc(-c2ccccc2)n1C[*:1]
O=C(Cn1c(-c2ccccc2)nc2ccccc2c1=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cn1c(nc2ccccc2c1=O)-c1ccccc1)N[*:1]
O=C(Cn1c(-c2ccccc2)nc2ccccc2c1=O)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(Cn1c(nc2ccccc2c1=O)[*:1])NC1CCCCC1
COc1cccc([C@H](CO)NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-c1cc([nH]n1)C(=O)N[C@@H](CO)[*:1]
COc1cccc([C@H](CO)NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)[C@H](CO)NC(=O)c1cc(n[nH]1)[*:1]
C[C@@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)NC1CCN(CC1)c1cccc[nH+]1)[*:1]
C[C@@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NC1CCN(CC1)c1cccc[nH+]1)O[*:1]
C[C@@H](c1cccnc1)N(C)Cc1nnc(-c2ccccc2)n1C c1cncc(c1)[*:1] C[C@@H](N(C)Cc1nnc(-c2ccccc2)n1C)[*:1]
C[C@@H](c1cccnc1)N(C)Cc1nnc(-c2ccccc2)n1C c1ccc(cc1)[*:1] C[C@@H](c1cccnc1)N(C)Cc1nnc(n1C)[*:1]
COc1ccc2nc(N(Cc3ccccn3)C(=O)COc3ccccc3)sc2c1 c1ccc(C[*:1])nc1 COc1ccc2nc(sc2c1)N(C(=O)COc1ccccc1)[*:1]
COc1ccc2nc(N(Cc3ccccn3)C(=O)COc3ccccc3)sc2c1 c1ccc(cc1)[*:1] COc1ccc2nc(sc2c1)N(Cc1ccccn1)C(=O)CO[*:1]
COc1ccc2nc(N(Cc3ccccn3)C(=O)COc3ccccc3)sc2c1 c1ccc(cc1)OC[*:1] COc1ccc2nc(sc2c1)N(Cc1ccccn1)C(=O)[*:1]
COc1ccc2nc(N(Cc3ccccn3)C(=O)COc3ccccc3)sc2c1 c1ccc(cc1)O[*:1] COc1ccc2nc(sc2c1)N(Cc1ccccn1)C(=O)C[*:1]
COc1ccc2nc(N(Cc3ccccn3)C(=O)COc3ccccc3)sc2c1 c1ccc(nc1)[*:1] COc1ccc2nc(sc2c1)N(C[*:1])C(=O)COc1ccccc1
O=C(Cn1nc2ccccn2c1=O)N1CCC[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cn1nc2ccccn2c1=O)N1CCC[C@H]1[*:1]
O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 O=C([O-])[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N1CCC[C@@H]1[*:1]
O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc(c1)[*:1]
O=C(N[C@@H](c1ccccc1F)C1CCCC1)C1CCOCC1 C1CC(CCO1)[*:1] O=C(N[C@@H](c1ccccc1F)C1CCCC1)[*:1]
O=C(N[C@@H](c1ccccc1F)C1CCCC1)C1CCOCC1 Fc1ccccc1[*:1] O=C(N[C@@H](C1CCCC1)[*:1])C1CCOCC1
O=C(N[C@@H](c1ccccc1F)C1CCCC1)C1CCOCC1 C1CCC(C1)[*:1] O=C(N[C@@H](c1ccccc1F)[*:1])C1CCOCC1
Cc1ccccc1C1(C(=O)NC[C@H]2CCC[C@H]2O)CCCCC1 Cc1ccccc1[*:1] O=C(NC[C@H]1CCC[C@H]1O)C1(CCCCC1)[*:1]
Cc1ccccc1OCCCN(C)C(=O)c1cccc2ccccc12 Cc1ccccc1O[*:1] CN(CCC[*:1])C(=O)c1cccc2ccccc12
Cc1ccccc1OCCCN(C)C(=O)c1cccc2ccccc12 Cc1ccccc1[*:1] CN(CCCO[*:1])C(=O)c1cccc2ccccc12
CCOC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 CCOC(=O)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1C[C@@H]1c1ccccc1
CCOC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1[*:1]
CC(C)[C@H]1CCCCN1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 CC(C)[*:1] CN1CCC(CC1)(CNC(=O)N1CCCC[C@@H]1[*:1])[NH+]1CCCCC1
CC[C@@H](NC(=O)Nc1ccc2ccn(CCOC)c2c1)[C@@H]1CCCO1 COCC[*:1] CC[C@@H](NC(=O)Nc1ccc2ccn(c2c1)[*:1])[C@@H]1CCCO1
CC[C@@H](NC(=O)Nc1ccc2ccn(CCOC)c2c1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@@H](NC(=O)Nc1ccc2ccn(CCOC)c2c1)[*:1]
CC[C@@H](NC(=O)Nc1ccc2ccn(CCOC)c2c1)[C@@H]1CCCO1 COC[*:1] CC[C@@H](NC(=O)Nc1ccc2ccn(C[*:1])c2c1)[C@@H]1CCCO1
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)N[C@H]3CCC[C@H](C)C3)C2)c1 CCOC(=O)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)N[C@H]3CCC[C@H](C)C3)C2)c1 C[C@H]1CCC[C@@H](C1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)N[*:1]
CNC(=O)c1ccc(I)c(C)c1 CNC(=O)[*:1] Cc1cc(ccc1I)[*:1]
CCOC(=O)CCNC(=O)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 C1CCN(CC1)[*:1] CCOC(=O)CCNC(=O)Nc1cc(F)c2nc(ccc2c1)[*:1]
CCOC(=O)CCNC(=O)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 CCOC(=O)C[*:1] O=C(NC[*:1])Nc1cc(F)c2nc(ccc2c1)N1CCCCC1
CCOC(=O)CCNC(=O)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 CCOC(=O)CC[*:1] O=C(Nc1cc(F)c2nc(ccc2c1)N1CCCCC1)N[*:1]
CCOC(=O)CCNC(=O)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 CCOC(=O)[*:1] O=C(NCC[*:1])Nc1cc(F)c2nc(ccc2c1)N1CCCCC1
O=C(Cc1ccc(NC(=O)c2cc3nc([O-])[nH]c(=O)n3c2)cc1)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cc2nc([O-])[nH]c(=O)n2c1
O=C(Cc1ccc(NC(=O)c2cc3nc([O-])[nH]c(=O)n3c2)cc1)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cc2nc([O-])[nH]c(=O)n2c1)N[*:1]
O=C(Cc1ccc(NC(=O)c2cc3nc([O-])[nH]c(=O)n3c2)cc1)NCc1ccco1 c1coc(c1)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cc2nc([O-])[nH]c(=O)n2c1)NC[*:1]
O=C(Cc1ccc(NC(=O)c2cc3nc([O-])[nH]c(=O)n3c2)cc1)NCc1ccco1 O=C(C[*:1])NCc1ccco1 O=C(Nc1ccc(cc1)[*:1])c1cc2nc([O-])[nH]c(=O)n2c1
C[C@H]1CCN(C(=O)NCc2csc(CCc3ccccc3)n2)C[C@H]1O c1ccc(cc1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCc1csc(CC[*:1])n1
C[C@H]1CCN(C(=O)NCc2csc(CCc3ccccc3)n2)C[C@H]1O c1ccc(cc1)CC[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCc1csc(n1)[*:1]
C[C@H]1CCN(C(=O)NCc2csc(CCc3ccccc3)n2)C[C@H]1O c1ccc(cc1)C[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCc1csc(C[*:1])n1
COc1ccc(CC(=O)N2CCC[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N1CCC[C@](Cc2ccccc2[*:1])(C1)C(N)=O
COc1ccc(CC(=O)N2CCC[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)cc1 NC(=O)[*:1] COc1ccc(cc1)CC(=O)N1CCC[C@@](Cc2ccccc2-c2ccccc2)(C1)[*:1]
COc1ccc(CC(=O)N2CCC[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)cc1 COc1ccc(cc1)C[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)[*:1])Cc1ccccc1-c1ccccc1
COc1ccc(CC(=O)N2CCC[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)cc1 COc1ccc(cc1)[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)C[*:1])Cc1ccccc1-c1ccccc1
Cn1c(SCC(=O)Nc2cccc(I)c2)nc2sc3c(c2c1=O)CCC3 Ic1cccc(c1)[*:1] Cn1c(nc2sc3CCCc3c2c1=O)SCC(=O)N[*:1]
CCCCOCCOc1nc(Cl)ncc1C CCC[*:1] Cc1cnc(Cl)nc1OCCOC[*:1]
CCCCOCCOc1nc(Cl)ncc1C CCCC[*:1] Cc1cnc(Cl)nc1OCCO[*:1]
CCCCOCCOc1nc(Cl)ncc1C CCCCO[*:1] Cc1cnc(Cl)nc1OCC[*:1]
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccccc2O)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(c(c1)[*:1])N1CCCC1)N1CCN(CC1)c1ccccc1O
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccccc2O)CC1 C1CCN(C1)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])[*:1])N1CCN(CC1)c1ccccc1O
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)N1CCN(CC1)[*:1]
CCN[C@@H](C#N)CS[C@H](C)CCO OCC[*:1] CCN[C@@H](C#N)CS[C@H](C)[*:1]
CCN[C@@H](C#N)CS[C@H](C)CCO CCN[*:1] C[C@H](CCO)SC[C@H](C#N)[*:1]
CC[NH2+][C@H]1CCCC[C@H]1COC(C)C CC(C)[*:1] CC[NH2+][C@H]1CCCC[C@H]1CO[*:1]
CC[NH2+][C@H]1CCCC[C@H]1COC(C)C CC(C)O[*:1] CC[NH2+][C@H]1CCCC[C@H]1C[*:1]
CCCNC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O CCCNC(=O)[*:1] CC[C@@H](N(c1ccccc1)S(C)(=O)=O)[*:1]
CCCNC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O CCC[*:1] CC[C@H](C(=O)N[*:1])N(c1ccccc1)S(C)(=O)=O
CCCNC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] CCCNC(=O)[C@@H](CC)N(S(C)(=O)=O)[*:1]
CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 CC(C)[*:1] C[C@H]([NH2+][C@@H]1CCC[C@@H](C1)C(=O)N[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 O=[N+]([O-])[*:1] CC(C)NC(=O)[C@H]1CCC[C@H](C1)[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 CC(C)NC(=O)[*:1] C[C@H]([NH2+][C@@H]1CCC[C@@H](C1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CCCc1ncc(C(=O)NNc2cc(C)ccn2)s1 CCC[*:1] Cc1ccnc(c1)NNC(=O)c1cnc(s1)[*:1]
O=C(NC1CC1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@H]1CCCN(C1)C(=O)Cc1ccc(F)cc1
O=C(NC1CC1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] O=C(NC1CC1)c1ccc(cc1)NC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(NC1CC1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 O=C(NC1CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN(C1)C(=O)Cc1ccc(F)cc1
O=C(NC1CC1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)C[*:1] O=C(NC1CC1)c1ccc(cc1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccco1)N1CCOCC1 Cn1cccc1[*:1] O=C(NCc1ccco1)C(=O)NC[C@@H](N1CCOCC1)[*:1]
Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccco1)N1CCOCC1 C1CN(CCO1)[*:1] Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccco1)[*:1]
Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccco1)N1CCOCC1 c1coc(c1)C[*:1] Cn1cccc1[C@@H](CNC(=O)C(=O)N[*:1])N1CCOCC1
Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccco1)N1CCOCC1 c1coc(c1)[*:1] Cn1cccc1[C@@H](CNC(=O)C(=O)NC[*:1])N1CCOCC1
CC(=O)c1c(C)[nH]c(C(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1C CN(C(=O)OC(C)(C)C)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)C[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N2CCC(CC2)CN(C)C(=O)OC(C)(C)C)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1C CC(C)(C)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)CN(C)C(=O)O[*:1])c1C
CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 Fc1ccc(cc1)C[*:1] CN(C(=O)c1ccc(Cl)c(c1)NC(=O)c1cccs1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c(c1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc(Cl)c(c1)NC(=O)c1cccs1
CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@H](Sc1ccccc1)/C2=N\O c1ccc(cc1)S[*:1] CCOC(=O)c1c(NC(C)=O)sc2/C(=N/O)[C@@H](CCc21)[*:1]
CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@H](Sc1ccccc1)/C2=N\O CCOC(=O)[*:1] CC(=O)Nc1sc2/C(=N/O)[C@H](CCc2c1[*:1])Sc1ccccc1
CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@H](Sc1ccccc1)/C2=N\O c1ccc(cc1)[*:1] CCOC(=O)c1c(NC(C)=O)sc2/C(=N/O)[C@H](CCc21)S[*:1]
CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@H](Sc1ccccc1)/C2=N\O CC(=O)N[*:1] CCOC(=O)c1c(sc2/C(=N/O)[C@H](CCc21)Sc1ccccc1)[*:1]
Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)c(F)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)N(C[C@@H](O)c2ccco2)[*:1])c(F)c1
Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(N[*:1])N(Cc1ccccc1)C[C@@H](O)c1ccco1
Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)c(F)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)N(C[C@@H](O)c2ccco2)C[*:1])c(F)c1
Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)c(F)c1 c1coc(c1)[*:1] Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](O)[*:1])c(F)c1
CC(C)C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(=O)N(C)C CC(C)[*:1] CN(C)C(=O)[C@@H](C[*:1])NC(=O)C[C@@H]1C[NH2+]CCO1
CC(C)C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(=O)N(C)C CN(C)C(=O)[*:1] CC(C)C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[*:1]
CC(C)C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(=O)N(C)C CC(C)C[*:1] CN(C)C(=O)[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[*:1]
C[C@H]1CCC[C@@H](C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)C1 O=C(N1CCCC1)[*:1] C[C@H]1CCC[C@H](C1)C(=O)N(C[C@@H]1CCCO1)C[*:1]
C[C@H]1CCC[C@@H](C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)C1 C1CO[C@@H](C1)C[*:1] C[C@H]1CCC[C@H](C1)C(=O)N(CC(=O)N1CCCC1)[*:1]
C[C@H]1CCC[C@@H](C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)C1 O=C(C[*:1])N1CCCC1 C[C@H]1CCC[C@H](C1)C(=O)N(C[C@@H]1CCCO1)[*:1]
C[C@H]1CCC[C@@H](C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] C[C@H]1CCC[C@H](C1)C(=O)N(CC(=O)N1CCCC1)C[*:1]
Cc1cccc(NC(=O)NCC(=O)N2C[C@@H](C)OC[C@@H]2C)c1 Cc1cccc(c1)[*:1] C[C@H]1CO[C@H](C)CN1C(=O)CNC(=O)N[*:1]
O=C(CCc1cc[nH+]c(N2CCOCC2)c1)NCc1ccco1 c1coc(c1)[*:1] O=C(CCc1cc[nH+]c(c1)N1CCOCC1)NC[*:1]
O=C(CCc1cc[nH+]c(N2CCOCC2)c1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CCc1cc[nH+]c(c1)N1CCOCC1)N[*:1]
O=C(CCc1cc[nH+]c(N2CCOCC2)c1)NCc1ccco1 C1CN(CCO1)[*:1] O=C(CCc1cc[nH+]c(c1)[*:1])NCc1ccco1
Clc1cccc(-n2nnnc2[C@H](c2ccccc2Cl)N2CCOCC2)c1 Clc1ccccc1[*:1] Clc1cccc(c1)-n1nnnc1[C@H](N1CCOCC1)[*:1]
Clc1cccc(-n2nnnc2[C@H](c2ccccc2Cl)N2CCOCC2)c1 Clc1cccc(c1)[*:1] Clc1ccccc1[C@@H](c1nnnn1[*:1])N1CCOCC1
Clc1cccc(-n2nnnc2[C@H](c2ccccc2Cl)N2CCOCC2)c1 C1CN(CCO1)[*:1] Clc1cccc(c1)-n1nnnc1[C@H](c1ccccc1Cl)[*:1]
COCc1nc(CNc2cnc3c(c2)COCC3)cs1 COC[*:1] c1nc2CCOCc2cc1NCc1csc(n1)[*:1]
Cc1ncsc1C(=O)NNC(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)CCO[*:1] Cc1ncsc1C(=O)NNC(=O)N1CC[C@@H](C1)[*:1]
Cc1ncsc1C(=O)NNC(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)[*:1] Cc1ncsc1C(=O)NNC(=O)N1CC[C@H](C1)OCC[*:1]
Cc1ncsc1C(=O)NNC(=O)N1CC[C@@H](OCCC(C)C)C1 Cc1ncsc1[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)NNC(=O)[*:1]
Cc1ncsc1C(=O)NNC(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)C[*:1] Cc1ncsc1C(=O)NNC(=O)N1CC[C@H](C1)OC[*:1]
Cc1ncsc1C(=O)NNC(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)CC[*:1] Cc1ncsc1C(=O)NNC(=O)N1CC[C@H](C1)O[*:1]
CC[C@H](N[C@@H](c1ccccn1)c1ccccc1OC)c1ccc(Cl)cc1 c1ccc(nc1)[*:1] CC[C@H](N[C@@H](c1ccccc1OC)[*:1])c1ccc(Cl)cc1
CC[C@H](N[C@@H](c1ccccn1)c1ccccc1OC)c1ccc(Cl)cc1 COc1ccccc1[*:1] CC[C@H](N[C@@H](c1ccccn1)[*:1])c1ccc(Cl)cc1
CC[C@H](N[C@@H](c1ccccn1)c1ccccc1OC)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](N[C@@H](c1ccccn1)c1ccccc1OC)[*:1]
Cc1ccc(CN2CCCn3nc(C(=O)NCc4ccccc4Br)cc3C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccccc1Br)c1cc2C(=O)N(CCCn2n1)C[*:1]
Cc1ccc(CN2CCCn3nc(C(=O)NCc4ccccc4Br)cc3C2=O)cc1 Brc1ccccc1[*:1] Cc1ccc(cc1)CN1CCCn2nc(cc2C1=O)C(=O)NC[*:1]
Cc1ccc(CN2CCCn3nc(C(=O)NCc4ccccc4Br)cc3C2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(NCc1ccccc1Br)c1cc2C(=O)N(CCCn2n1)[*:1]
Cc1ccc(CN2CCCn3nc(C(=O)NCc4ccccc4Br)cc3C2=O)cc1 Brc1ccccc1C[*:1] Cc1ccc(cc1)CN1CCCn2nc(cc2C1=O)C(=O)N[*:1]
Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 FC(F)[*:1] Cc1ccc(O[*:1])c(c1)[C@@H](C)[NH2+][C@@H]1CCN(C1)c1ccccn1
Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 c1ccc(nc1)[*:1] Cc1ccc(OC(F)F)c(c1)[C@@H](C)[NH2+][C@@H]1CCN(C1)[*:1]
Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 FC(F)O[*:1] Cc1ccc(c(c1)[C@@H](C)[NH2+][C@@H]1CCN(C1)c1ccccn1)[*:1]
CCCOc1ccc(/C=C(/C#N)c2ccccn2)cc1OCC c1ccc(nc1)[*:1] CCCOc1ccc(/C=C(/C#N)[*:1])cc1OCC
CCCOc1ccc(/C=C(/C#N)c2ccccn2)cc1OCC CCO[*:1] CCCOc1ccc(/C=C(/C#N)c2ccccn2)cc1[*:1]
CCCOc1ccc(/C=C(/C#N)c2ccccn2)cc1OCC CCCO[*:1] CCOc1cc(/C=C(/C#N)c2ccccn2)ccc1[*:1]
CCCOc1ccc(/C=C(/C#N)c2ccccn2)cc1OCC CCC[*:1] CCOc1cc(/C=C(/C#N)c2ccccn2)ccc1O[*:1]
CCO[C@@H](C)C(=O)N(C)[C@@H](C)Cc1ccsc1 CCO[C@@H](C)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)[*:1]
CCO[C@@H](C)C(=O)N(C)[C@@H](C)Cc1ccsc1 c1cc(cs1)[*:1] CCO[C@@H](C)C(=O)N(C)[C@@H](C)C[*:1]
CCO[C@@H](C)C(=O)N(C)[C@@H](C)Cc1ccsc1 CCO[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)[C@H](C)[*:1]
CCOCCn1/c(=N/C(C)=O)sc2cc(F)ccc21 CCO[*:1] CC(=O)/N=c1\sc2cc(F)ccc2n1CC[*:1]
CCOCCn1/c(=N/C(C)=O)sc2cc(F)ccc21 CCOCC[*:1] CC(=O)/N=c1\sc2cc(F)ccc2n1[*:1]
CCOCCn1/c(=N/C(C)=O)sc2cc(F)ccc21 CCOC[*:1] CC(=O)/N=c1\sc2cc(F)ccc2n1C[*:1]
Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)c2ccccc2)cc1 Cc1ccccc1[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cc1)C(=O)N(C)c1ccccc1
Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)c2ccccc2)cc1 Cc1ccccc1O[*:1] C[C@@H](C(=O)Nc1ccc(cc1)C(=O)N(C)c1ccccc1)[*:1]
Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(cc1)C(=O)N(C)[*:1]
COC(=O)C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccccc1Cl COC(=O)[*:1] O=C(N[C@H](C[*:1])c1ccccc1Cl)c1ccc(nc1)N1CCOCC1
COC(=O)C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccccc1Cl COC(=O)C[*:1] O=C(N[C@@H](c1ccccc1Cl)[*:1])c1ccc(nc1)N1CCOCC1
COC(=O)C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccccc1Cl C1CN(CCO1)[*:1] COC(=O)C[C@@H](NC(=O)c1ccc(nc1)[*:1])c1ccccc1Cl
COC(=O)C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)C[C@@H](NC(=O)c1ccc(nc1)N1CCOCC1)[*:1]
C[C@@H]1CSCCN1C(=O)COCC[NH3+] [NH3+]CCO[*:1] C[C@@H]1CSCCN1C(=O)C[*:1]
C[C@@H]1CSCCN1C(=O)COCC[NH3+] [NH3+]CC[*:1] C[C@@H]1CSCCN1C(=O)CO[*:1]
CC(C)c1cc(CNC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)on1 c1ccc(cc1)[*:1] CC(C)c1cc(CNC(=O)N[C@H](C)c2nc(C[*:1])no2)on1
CC(C)c1cc(CNC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)on1 CC(C)c1cc(C[*:1])on1 C[C@@H](NC(=O)N[*:1])c1nc(Cc2ccccc2)no1
CC(C)c1cc(CNC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)on1 CC(C)c1cc(on1)[*:1] C[C@@H](NC(=O)NC[*:1])c1nc(Cc2ccccc2)no1
CC(C)c1cc(CNC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)on1 c1ccc(cc1)C[*:1] CC(C)c1cc(CNC(=O)N[C@H](C)c2nc(no2)[*:1])on1
CC(C)c1cc(CNC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)on1 CC(C)[*:1] C[C@@H](NC(=O)NCc1cc(no1)[*:1])c1nc(Cc2ccccc2)no1
Cn1nc2c(cc1=O)C[NH+](CCSc1ccccc1)CC2 c1ccc(cc1)S[*:1] Cn1nc2CC[NH+](CC[*:1])Cc2cc1=O
Cn1nc2c(cc1=O)C[NH+](CCSc1ccccc1)CC2 c1ccc(cc1)[*:1] Cn1nc2CC[NH+](CCS[*:1])Cc2cc1=O
C[C@@H](CO)NC(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 C[C@@H](CO)[*:1] O=C(NCC1(CCC1)c1ccc(Cl)cc1Cl)N[*:1]
O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1ccc2c(c1)OCO2 c1cncc(c1)C[*:1] O=C(CSc1nc(=O)n(c2CCCc12)[*:1])Nc1ccc2OCOc2c1
O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1ccc2c(c1)OCO2 c1cncc(c1)[*:1] O=C(CSc1nc(=O)n(C[*:1])c2CCCc12)Nc1ccc2OCOc2c1
O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CSc1nc(=O)n(Cc2cccnc2)c2CCCc12)N[*:1]
O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccc(Cl)c1 Fc1ccccc1[*:1] O=C(NC(=S)Nc1ccc2oc(nc2c1)[*:1])c1cccc(Cl)c1
O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NC(=S)Nc1ccc2oc(nc2c1)-c1ccccc1F)[*:1]
CNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)N1CCCC[C@H]1C[NH+](C)C)[*:1]
CCOC(=O)c1c(NC(=O)c2noc3c2C[C@@H](C)CC3)sc2c1CCCC2 CCOC(=O)[*:1] C[C@H]1CCc2onc(C(=O)Nc3sc4CCCCc4c3[*:1])c2C1
Cc1cc(NC(=O)C=C(C2CC2)C2CC2)n(C)n1 C1CC1[*:1] Cc1cc(NC(=O)C=C(C2CC2)[*:1])n(C)n1
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](CC3CC3)CC2)c1 C1CC1C[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)N1CC[NH+](CC1)[*:1]
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](CC3CC3)CC2)c1 C1CC1[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)N1CC[NH+](CC1)C[*:1]
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](CC3CC3)CC2)c1 CC[C@@H](C#N)O[*:1] O=C(NCc1cccc(c1)[*:1])N1CC[NH+](CC1)CC1CC1
CCCCCOc1ccc(N)c(OCC)n1 CCCC[*:1] CCOc1nc(ccc1N)OC[*:1]
CCCCCOc1ccc(N)c(OCC)n1 CCCCC[*:1] CCOc1nc(ccc1N)O[*:1]
CCCCCOc1ccc(N)c(OCC)n1 CCO[*:1] CCCCCOc1ccc(N)c(n1)[*:1]
CCCCCOc1ccc(N)c(OCC)n1 CCC[*:1] CCOc1nc(ccc1N)OCC[*:1]
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccsc2)CC1 O=[N+]([O-])[*:1] Cc1ccc(cc1C(=O)N1CCCN(CC1)C(=O)c1ccsc1)[*:1]
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] Cc1ccc(cc1C(=O)N1CCCN(CC1)C(=O)[*:1])[N+](=O)[O-]
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2[*:1]
CC(C)CCN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CC(C)[*:1] C[C@H](NC(=O)N(C)CC[*:1])c1ccc(c(F)c1)S(C)(=O)=O
CC(C)CCN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] CC(C)CCN(C)C(=O)N[C@@H](C)c1ccc(c(F)c1)[*:1]
CC(C)CCN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CC(C)CC[*:1] C[C@H](NC(=O)N(C)[*:1])c1ccc(c(F)c1)S(C)(=O)=O
CC(C)CCN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CC(C)C[*:1] C[C@H](NC(=O)N(C)C[*:1])c1ccc(c(F)c1)S(C)(=O)=O
COC(=O)c1ccc(C[NH+](C)Cc2ccccc2)o1 c1ccc(cc1)[*:1] COC(=O)c1ccc(C[NH+](C)C[*:1])o1
COC(=O)c1ccc(C[NH+](C)Cc2ccccc2)o1 COC(=O)[*:1] C[NH+](Cc1ccccc1)Cc1ccc(o1)[*:1]
COc1ccc(C(C)=O)c(OCC(=O)N2[C@@H](C)CCC[C@H]2C)c1 CC(=O)[*:1] COc1ccc(c(c1)OCC(=O)N1[C@@H](C)CCC[C@H]1C)[*:1]
CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[*:1]
CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[*:1])c(C)c1
CCC1(CNC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CCC1 CCC1(CCC1)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(c(F)c1)S(C)(=O)=O
CCC1(CNC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CCC1 CS(=O)(=O)[*:1] CCC1(CCC1)CNC(=O)N[C@@H](C)c1ccc(c(F)c1)[*:1]
CCC1(CNC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CCC1 CCC1(CCC1)C[*:1] C[C@H](NC(=O)N[*:1])c1ccc(c(F)c1)S(C)(=O)=O
CC(C)[C@H](C)Nn1cccc1 CC(C)[*:1] C[C@H](Nn1cccc1)[*:1]
CCOC(=O)c1cc2c(N)c(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)sc2nc1C CCOC(=O)[*:1] Cc1nc2sc(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)c(N)c2cc1[*:1]
CCOC(=O)c1cc2c(N)c(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)sc2nc1C c1coc(c1)C[*:1] CCOC(=O)c1cc2c(N)c(sc2nc1C)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCOC(=O)c1cc2c(N)c(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)sc2nc1C c1coc(c1)[*:1] CCOC(=O)c1cc2c(N)c(sc2nc1C)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc3c(cc21)OCO3 COc1ccc(cc1)[*:1] C#CCn1/c(=N/C(=O)[*:1])sc2cc3OCOc3cc21
C#CCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc3c(cc21)OCO3 C#CC[*:1] COc1ccc(cc1)C(=O)/N=c1\sc2cc3OCOc3cc2n1[*:1]
CCOc1ccc(C(=O)Nc2cccc(O[C@@H](C)CC)c2)cc1 CC[C@H](C)O[*:1] CCOc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
CCOc1ccc(C(=O)Nc2cccc(O[C@@H](C)CC)c2)cc1 CCO[*:1] CC[C@H](C)Oc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CCC(=O)N1CCC[C@H](C(=O)Oc2cccc(C(=O)N(C)C)c2)C1 CN(C)C(=O)[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)Oc1cccc(c1)[*:1]
COc1ccc(OCn2ccc(C(=O)NN)n2)cc1 NNC(=O)[*:1] COc1ccc(cc1)OCn1ccc(n1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C(N)=O)C(C)C)cn2)n1 Cc1cc(C)n(n1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(nc1)[*:1])C(N)=O
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C(N)=O)C(C)C)cn2)n1 CC(C)[C@H](C(N)=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C(N)=O)C(C)C)cn2)n1 NC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N[C@@H](C(C)C)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C(N)=O)C(C)C)cn2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N[C@@H](C(N)=O)[*:1]
N#C[C@@H](NC(=O)CC1CCC1)c1ccccc1F C1CC(C1)C[*:1] N#C[C@@H](NC(=O)[*:1])c1ccccc1F
N#C[C@@H](NC(=O)CC1CCC1)c1ccccc1F C1CC(C1)[*:1] N#C[C@@H](NC(=O)C[*:1])c1ccccc1F
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)N[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])C(=O)N[C@H]1CCS(=O)(=O)C1
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)N[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=C(N[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)c2scnc2C)n1 CCc1nccn1[*:1] Cc1ncsc1C(=O)N1CCC[C@@H]1c1cncc(n1)[*:1]
CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)c2scnc2C)n1 Cc1ncsc1[*:1] CCc1nccn1-c1cncc(n1)[C@H]1CCCN1C(=O)[*:1]
Cc1nonc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1nonc1NC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1nonc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 Cc1nonc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)Cc1ccccc1
Cc1nonc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] Cc1nonc1NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(NCc1ccc(F)cc1)[C@H]1C=C[C@@H]([C@@H]2CCCN2Cc2[nH]cc[nH+]2)S1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1C=C[C@H](S1)[C@@H]1CCCN1Cc1[nH]cc[nH+]1
O=C(NCc1ccc(F)cc1)[C@H]1C=C[C@@H]([C@@H]2CCCN2Cc2[nH]cc[nH+]2)S1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1C=C[C@H](S1)[C@@H]1CCCN1Cc1[nH]cc[nH+]1
O=[N+]([O-])c1nc(Br)nn1C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1nc(Br)nn1C(c1ccccc1)[*:1]
O=[N+]([O-])c1nc(Br)nn1C(c1ccccc1)c1ccccc1 O=[N+]([O-])[*:1] Brc1nc(n(n1)C(c1ccccc1)c1ccccc1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)OCc2nc3ccccc3nc2C)c1C CC(=O)[*:1] Cc1nc2ccccc2nc1COC(=O)c1[nH]c(C)c(c1C)[*:1]
Cc1ccc(C2=C3C(=O)N=C(CN(C)CCOc4ccccc4)N=C3SC2)s1 c1ccc(cc1)OCC[*:1] Cc1ccc(s1)C1CSC2=NC(CN(C)[*:1])=NC(=O)C=12
Cc1ccc(C2=C3C(=O)N=C(CN(C)CCOc4ccccc4)N=C3SC2)s1 c1ccc(cc1)O[*:1] Cc1ccc(s1)C1CSC2=NC(CN(C)CC[*:1])=NC(=O)C=12
Cc1ccc(C2=C3C(=O)N=C(CN(C)CCOc4ccccc4)N=C3SC2)s1 c1ccc(cc1)OC[*:1] Cc1ccc(s1)C1CSC2=NC(CN(C)C[*:1])=NC(=O)C=12
Cc1ccc(C2=C3C(=O)N=C(CN(C)CCOc4ccccc4)N=C3SC2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)C1CSC2=NC(CN(C)CCO[*:1])=NC(=O)C=12
Cc1ccc(C2=C3C(=O)N=C(CN(C)CCOc4ccccc4)N=C3SC2)s1 Cc1ccc(s1)[*:1] CN(CCOc1ccccc1)CC1=NC(=O)C2C(=N1)SCC=2[*:1]
COc1ccccc1N1CCN(C(=O)N[C@@H]2CCc3c(O)cccc32)CC1 COc1ccccc1[*:1] O=C(N[C@@H]1CCc2c(O)cccc21)N1CCN(CC1)[*:1]
CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cn1 CCC[*:1] O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN1S(=O)(=O)[*:1]
CC[C@@H](C)N(C)C(=O)Nc1ccc(CC(=O)NC)cc1 CNC(=O)[*:1] CC[C@@H](C)N(C)C(=O)Nc1ccc(cc1)C[*:1]
CC[C@@H](C)N(C)C(=O)Nc1ccc(CC(=O)NC)cc1 CC[C@@H](C)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)N(C)[*:1]
CC[C@@H](C)N(C)C(=O)Nc1ccc(CC(=O)NC)cc1 CNC(=O)C[*:1] CC[C@@H](C)N(C)C(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1cc(F)ccc1F)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(Nc1cc(F)ccc1F)C(=O)N1CCO[C@@H](C1)[*:1]
O=C(Nc1cc(F)ccc1F)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 Fc1ccc(F)c(c1)[*:1] O=C(N[*:1])C(=O)N1CCO[C@H](C1)c1cccc(F)c1
C=CCc1ccccc1OC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 C=CC[*:1] O=C(Oc1ccccc1[*:1])[C@H]1CCCN(C1)C(=O)c1cccs1
C=CCc1ccccc1OC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] C=CCc1ccccc1OC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Br)cc2)o1 C1CO[C@H](C1)[*:1] Cc1ccc(o1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(Br)cc1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Br)cc2)o1 Cc1ccc(o1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2ccc(Br)cc2)N1C[C@H]1CCCO1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Br)cc2)o1 Cc1ccc(o1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(Br)cc2)N1C[C@H]1CCCO1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Br)cc2)o1 C1CO[C@H](C1)C[*:1] Cc1ccc(o1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(Br)cc1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@@H]1[*:1]
Cc1nc(S(=O)(=O)CC(=O)NCc2ccccc2F)n(CC(C)C)c1C CC(C)C[*:1] Cc1nc(n(c1C)[*:1])S(=O)(=O)CC(=O)NCc1ccccc1F
Cc1nc(S(=O)(=O)CC(=O)NCc2ccccc2F)n(CC(C)C)c1C Fc1ccccc1C[*:1] Cc1nc(n(CC(C)C)c1C)S(=O)(=O)CC(=O)N[*:1]
Cc1nc(S(=O)(=O)CC(=O)NCc2ccccc2F)n(CC(C)C)c1C Fc1ccccc1[*:1] Cc1nc(n(CC(C)C)c1C)S(=O)(=O)CC(=O)NC[*:1]
Cc1nc(S(=O)(=O)CC(=O)NCc2ccccc2F)n(CC(C)C)c1C CC(C)[*:1] Cc1nc(n(C[*:1])c1C)S(=O)(=O)CC(=O)NCc1ccccc1F
Nc1cc(F)c(S(=O)(=O)Cc2nccs2)c(F)c1 c1csc(n1)[*:1] Nc1cc(F)c(c(F)c1)S(=O)(=O)C[*:1]
Nc1cc(F)c(S(=O)(=O)Cc2nccs2)c(F)c1 c1csc(C[*:1])n1 Nc1cc(F)c(c(F)c1)S(=O)(=O)[*:1]
CC[C@H](C)NC(=O)N1CCc2c(cccc2NC(C)=O)C1 CC(=O)N[*:1] CC[C@H](C)NC(=O)N1CCc2c(cccc2[*:1])C1
CC[C@H](C)NC(=O)N1CCc2c(cccc2NC(C)=O)C1 CC[C@H](C)[*:1] CC(=O)Nc1cccc2CN(CCc21)C(=O)N[*:1]
COc1ccc(-c2cc(N(C)C(=O)[C@@H]3C[C@@H]3c3ccccc3)n[nH]2)cc1 COc1ccc(cc1)[*:1] CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cc([nH]n1)[*:1]
COc1ccc(-c2cc(N(C)C(=O)[C@@H]3C[C@@H]3c3ccccc3)n[nH]2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(n[nH]1)N(C)C(=O)[C@@H]1C[C@H]1[*:1]
CC(C)Oc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 CC(C)[*:1] O=C(c1cccc(c1)O[*:1])N1CC[NH+](CC1)Cc1ccccc1
CC(C)Oc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] CC(C)Oc1cccc(c1)C(=O)N1CC[NH+](CC1)[*:1]
CC(C)Oc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CC(C)Oc1cccc(c1)C(=O)N1CC[NH+](CC1)C[*:1]
CC(C)Oc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 CC(C)O[*:1] O=C(c1cccc(c1)[*:1])N1CC[NH+](CC1)Cc1ccccc1
N#C[C@@H](C(=O)Cc1coc(-c2ccc(F)cc2)n1)c1ccc(F)cn1 Fc1ccc(cc1)[*:1] N#C[C@@H](C(=O)Cc1coc(n1)[*:1])c1ccc(F)cn1
N#C[C@@H](C(=O)Cc1coc(-c2ccc(F)cc2)n1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@@H](C(=O)Cc1coc(n1)-c1ccc(F)cc1)[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1cc(C(C)C)on1 CC(C)[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1cc(on1)[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1cc(C(C)C)on1 COC(=O)[*:1] CC(C)c1cc(no1)NC(=O)N[C@@H]1CCCCC[C@H]1[*:1]
COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1OCCO OCC[*:1] COc1ccc(cc1O[*:1])NS(=O)(=O)c1ccc2CCCc2c1
COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1OCCO OCCO[*:1] COc1ccc(cc1[*:1])NS(=O)(=O)c1ccc2CCCc2c1
O=C(c1cccnc1)N1CCc2nc(C3CCN(C(=O)C4CCCCC4)CC3)[nH]c(=O)c2C1 C1CCC(CC1)[*:1] O=C(c1cccnc1)N1CCc2nc([nH]c(=O)c2C1)C1CCN(CC1)C(=O)[*:1]
O=C(c1cccnc1)N1CCc2nc(C3CCN(C(=O)C4CCCCC4)CC3)[nH]c(=O)c2C1 c1cncc(c1)[*:1] O=C(C1CCCCC1)N1CCC(CC1)c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
CCC[C@@H](C)N1CC2(CCN(C(=O)CCN3CCCCC3=O)CC2)OC1=O O=C1CCCCN1C[*:1] CCC[C@@H](C)N1CC2(CCN(CC2)C(=O)C[*:1])OC1=O
CCC[C@@H](C)N1CC2(CCN(C(=O)CCN3CCCCC3=O)CC2)OC1=O O=C1CCCCN1CC[*:1] CCC[C@@H](C)N1CC2(CCN(CC2)C(=O)[*:1])OC1=O
CCC[C@@H](C)N1CC2(CCN(C(=O)CCN3CCCCC3=O)CC2)OC1=O CCC[*:1] C[C@@H](N1CC2(CCN(CC2)C(=O)CCN2CCCCC2=O)OC1=O)[*:1]
CCC[C@@H](C)N1CC2(CCN(C(=O)CCN3CCCCC3=O)CC2)OC1=O O=C1CCCCN1[*:1] CCC[C@@H](C)N1CC2(CCN(CC2)C(=O)CC[*:1])OC1=O
CNC(=O)c1ccc(OCC(=O)N2CCC[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] CNC(=O)c1ccc(cc1)OCC(=O)N1CCC[C@@H]1[*:1]
CNC(=O)c1ccc(OCC(=O)N2CCC[C@H]2c2cccs2)cc1 CNC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])N1CCC[C@H]1c1cccs1
CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)[C@@H]1CCCS1 CC(C)(C)[*:1] O=C(Nc1ccc(F)cc1NC(=O)[C@@H]1CCCS1)O[*:1]
CC(C)SCc1cccc(NC(=O)C(=O)N[C@H]2CCc3ccccc32)c1 CC(C)SC[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N[C@H]1CCc2ccccc21
CC(C)SCc1cccc(NC(=O)C(=O)N[C@H]2CCc3ccccc32)c1 CC(C)[*:1] O=C(Nc1cccc(c1)CS[*:1])C(=O)N[C@H]1CCc2ccccc21
CC(C)SCc1cccc(NC(=O)C(=O)N[C@H]2CCc3ccccc32)c1 CC(C)S[*:1] O=C(Nc1cccc(c1)C[*:1])C(=O)N[C@H]1CCc2ccccc21
CCCS(=O)(=O)N1CCC[C@H]1C(=O)OC[C@H]1CC=CCC1 CCC[*:1] O=C(OC[C@H]1CC=CCC1)[C@@H]1CCCN1S(=O)(=O)[*:1]
CSCC[C@@H](C)N(C)C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] CSCC[C@@H](C)N(C)C(=O)c1cnc(cn1)[*:1]
CSCC[C@@H](C)N(C)C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CSCC[C@@H](C)N(C)C(=O)c1cnc(cn1)O[*:1]
CSCC[C@@H](C)N(C)C(=O)c1cnc(Oc2ccccc2)cn1 CSCC[*:1] C[C@@H](N(C)C(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
CSCC[C@@H](C)N(C)C(=O)c1cnc(Oc2ccccc2)cn1 CSC[*:1] C[C@H](C[*:1])N(C)C(=O)c1cnc(cn1)Oc1ccccc1
COc1ccc(C[NH+](C)CC(=O)NC2CCC3(CC2)OCCO3)cc1 COc1ccc(cc1)[*:1] C[NH+](CC(=O)NC1CCC2(CC1)OCCO2)C[*:1]
C[C@@H]1C[C@@H](NC(=O)CSCC(F)(F)F)C(=O)N1c1ccccc1 FC(F)(F)CSC[*:1] C[C@@H]1C[C@@H](NC(=O)[*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@@H](NC(=O)CSCC(F)(F)F)C(=O)N1c1ccccc1 FC(F)(F)CS[*:1] C[C@@H]1C[C@@H](NC(=O)C[*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@@H](NC(=O)CSCC(F)(F)F)C(=O)N1c1ccccc1 FC(F)(F)C[*:1] C[C@@H]1C[C@@H](NC(=O)CS[*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@@H](NC(=O)CSCC(F)(F)F)C(=O)N1c1ccccc1 FC(F)(F)[*:1] C[C@@H]1C[C@@H](NC(=O)CSC[*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@@H](NC(=O)CSCC(F)(F)F)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](NC(=O)CSCC(F)(F)F)C(=O)N1[*:1]
C#Cc1cccc(NC(=O)CCCn2ccnn2)c1 c1cn(nn1)[*:1] C#Cc1cccc(c1)NC(=O)CCC[*:1]
C#Cc1cccc(NC(=O)CCCn2ccnn2)c1 c1cn(C[*:1])nn1 C#Cc1cccc(c1)NC(=O)CC[*:1]
C[C@@H](NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1cccc(F)c1F CC(C)(C)[*:1] C[C@@H](NC(=O)N(C)CCN(C)C(=O)O[*:1])c1cccc(F)c1F
C[C@@H](NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1cccc(F)c1F Fc1cccc(c1F)[*:1] C[C@@H](NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)[*:1]
Cc1cc(C)c2cc(C(=O)N(C[C@H]3CCCO3)c3ccncc3)[nH]c2c1 c1cc(ccn1)[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)N(C[C@H]1CCCO1)[*:1]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCc4ccccc4)[C@H]3c3cccnc3)ccc2O1 c1ccc(cc1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1cccnc1
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCc4ccccc4)[C@H]3c3cccnc3)ccc2O1 c1cncc(c1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1[*:1]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCc4ccccc4)[C@H]3c3cccnc3)ccc2O1 c1ccc(cc1)C[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccnc1
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCc4ccccc4)[C@H]3c3cccnc3)ccc2O1 c1ccc(cc1)CC[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccnc1)[*:1]
C[C@@H]1CCC[C@@H](NC(=O)Cn2ccnc2)C1 c1cn(cn1)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)C[*:1]
CCC(=O)Nc1ccc2c(c1)ncn2C CCC(=O)N[*:1] Cn1cnc2cc(ccc21)[*:1]
CN(C(=O)C[C@@H]1CSCC[NH2+]1)C1(CC(=O)[O-])CCCCC1 O=C([O-])[*:1] CN(C(=O)C[C@@H]1CSCC[NH2+]1)C1(CCCCC1)C[*:1]
CN(C(=O)C[C@@H]1CSCC[NH2+]1)C1(CC(=O)[O-])CCCCC1 O=C([O-])C[*:1] CN(C(=O)C[C@@H]1CSCC[NH2+]1)C1(CCCCC1)[*:1]
CCc1cc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)sc1C CCN(CC)S(=O)(=O)[*:1] CCc1cc(sc1C)C(=O)Nc1ccc(cc1)[*:1]
CCc1cc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)sc1C CCc1cc(sc1C)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(OC2CCN(CN3C(=O)[C@@H]4CC[C@H]3C4)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C1[C@@H]2CC[C@@H](C2)N1CN1CCC(CC1)O[*:1]
CC(=O)N[C@H]1[C@@H](Oc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O CC(=O)N[*:1] OC[C@H]1O[C@H](Oc2ccccc2)[C@@H]([C@@H](O)[C@H]1O)[*:1]
CC(=O)N[C@H]1[C@@H](Oc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O c1ccc(cc1)[*:1] CC(=O)N[C@H]1[C@H](O[C@H](CO)[C@H](O)[C@@H]1O)O[*:1]
CC(=O)N[C@H]1[C@@H](Oc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O c1ccc(cc1)O[*:1] CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1[*:1]
Cc1ccc(NS(=O)(=O)CC2CCC2)c(O)c1 C1CC(C1)[*:1] Cc1ccc(NS(=O)(=O)C[*:1])c(O)c1
Cc1ccc(NS(=O)(=O)CC2CCC2)c(O)c1 C1CC(C1)C[*:1] Cc1ccc(NS(=O)(=O)[*:1])c(O)c1
CC[C@@H]([NH2+]C[C@@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@@H]([NH2+]C[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CC[C@@H]([NH2+]C[C@@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1F c1cnc(nc1)[*:1] CC[C@@H]([NH2+]C[C@@H]1CCCN(C1)[*:1])c1cc(F)ccc1F
O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc[nH]c1=O c1cc(n[nH]1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc[nH]c1=O
O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc[nH]c1=O O=c1[nH]cccc1[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)[*:1]
C[C@H](O)CN1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] C[C@H](O)CN1CCN(CC1)C(=O)CCO[*:1]
C[C@H](O)CN1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 C[C@H](O)[*:1] O=C(CCOc1cccc(Cl)c1)N1CCN(CC1)C[*:1]
C[C@H](O)CN1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 C[C@H](O)C[*:1] O=C(CCOc1cccc(Cl)c1)N1CCN(CC1)[*:1]
Cc1cc(NC(=O)[C@H](C)SCCn2c(=O)oc3cccnc32)no1 Cc1cc(no1)[*:1] C[C@H](SCCn1c(=O)oc2cccnc21)C(=O)N[*:1]
CC(C)CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)CN1C(=O)c2[nH]nc(c2[C@H]1c1ccccc1)[*:1]
CC(C)CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1[*:1]
CC(C)CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1 CC(C)C[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2)N1[*:1]
CC(C)CN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1 CC(C)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2)N1C[*:1]
CCCCCC(C)(C)CNC(=O)c1cc(C)ccc1N CCCCC[*:1] Cc1ccc(N)c(c1)C(=O)NCC(C)(C)[*:1]
CCCCCC(C)(C)CNC(=O)c1cc(C)ccc1N CCCC[*:1] Cc1ccc(N)c(c1)C(=O)NCC(C)(C)C[*:1]
CCCCCC(C)(C)CNC(=O)c1cc(C)ccc1N CCC[*:1] Cc1ccc(N)c(c1)C(=O)NCC(C)(C)CC[*:1]
N#Cc1cccc(OCCCBr)c1 BrCCC[*:1] N#Cc1cccc(c1)O[*:1]
N#Cc1cccc(OCCCBr)c1 BrCC[*:1] N#Cc1cccc(c1)OC[*:1]
CC[C@@H](CSC)N(C)C(=O)C[C@@H]1OCCc2ccccc21 CSC[*:1] CC[C@@H](N(C)C(=O)C[C@@H]1OCCc2ccccc21)[*:1]
COc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])-c1cc(on1)C(F)(F)F
COc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] COc1ccc(cc1S(=O)(=O)NC[*:1])-c1cc(on1)C(F)(F)F
COc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccccc1Cl FC(F)(F)[*:1] COc1ccc(cc1S(=O)(=O)NCc1ccccc1Cl)-c1cc(on1)[*:1]
COc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccccc1Cl FC(F)(F)c1cc(no1)[*:1] COc1ccc(cc1S(=O)(=O)NCc1ccccc1Cl)[*:1]
CCCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C CCC[*:1] Cc1cc(ccc1O[*:1])S(=O)(=O)N1CCC(C)CC1
CCCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C CCCO[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)N1CCC(C)CC1
O=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1c(F)cccc1F FC(F)(F)O[*:1] O=C(Nc1ccc(Cl)cc1[*:1])c1c(F)cccc1F
O=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1c(F)cccc1F FC(F)(F)[*:1] O=C(Nc1ccc(Cl)cc1O[*:1])c1c(F)cccc1F
CCc1ccc(N)cc1S(=O)(=O)NCC(=O)N(C)C CN(C)C(=O)C[*:1] CCc1ccc(N)cc1S(=O)(=O)N[*:1]
CCc1ccc(N)cc1S(=O)(=O)NCC(=O)N(C)C CN(C)C(=O)[*:1] CCc1ccc(N)cc1S(=O)(=O)NC[*:1]
C[C@@H]([NH2+]CC(=O)NCCc1c[nH]c2ccccc12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]([NH2+]CC(=O)NCCc1c[nH]c2ccccc12)[*:1]
COc1ccccc1O[C@H](C)CNC(=O)c1ccon1 c1cc(no1)[*:1] COc1ccccc1O[C@H](C)CNC(=O)[*:1]
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCSC[C@@H]1C[NH+]1CCCCC1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1)[*:1])N1CCCSC[C@@H]1C[NH+]1CCCCC1
COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@@]12C(=O)N(C)c1ccccc12 COC(=O)[*:1] CC1OC(N)=C([C@]2(C(=O)N(C)c3ccccc32)C=1C(=O)OC(C)(C)C)[*:1]
COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@@]12C(=O)N(C)c1ccccc12 CC(C)(C)[*:1] COC(=O)C1=C(N)OC(C)=C(C(=O)O[*:1])[C@@]12C(=O)N(C)c1ccccc12
COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@@]12C(=O)N(C)c1ccccc12 CC(C)(C)OC(=O)[*:1] COC(=O)C1=C(N)OC(C)=C([C@@]12C(=O)N(C)c1ccccc12)[*:1]
COc1ccccc1-n1cnnc1SCC(=O)N[C@H]1CCC[C@H](C)[C@H]1C COc1ccccc1[*:1] C[C@H]1CCC[C@H](NC(=O)CSc2nncn2[*:1])[C@@H]1C
O=C1CC[C@@]2(CCCO2)CCN1Cc1cc(F)ccc1C(F)(F)F FC(F)(F)[*:1] O=C1CC[C@@]2(CCCO2)CCN1Cc1cc(F)ccc1[*:1]
Cc1ccc(C2=N/C(=C\c3cnn(-c4ccccc4)n3)C(=O)O2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C1=N/C(=C\c2cnn(n2)[*:1])C(=O)O1
Cc1ccc(C2=N/C(=C\c3cnn(-c4ccccc4)n3)C(=O)O2)cc1 Cc1ccc(cc1)[*:1] O=C1OC(=N/C1=C\c1cnn(n1)-c1ccccc1)[*:1]
CCN(CCC#N)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 N#CCC[*:1] CCN(C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)[*:1]
CCN(CCC#N)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCN(CCC#N)C(=O)C1CCN(CC1)C(=O)[*:1]
CCN(CCC#N)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 N#CC[*:1] CCN(C[*:1])C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1
COCC1CC[NH+](Cc2c[nH]c(C(=O)OC)c2)CC1 COC(=O)[*:1] COCC1CC[NH+](CC1)Cc1c[nH]c(c1)[*:1]
COCC1CC[NH+](Cc2c[nH]c(C(=O)OC)c2)CC1 COC[*:1] COC(=O)c1cc(c[nH]1)C[NH+]1CCC(CC1)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)N1CCCCCC1 CCC[*:1] O=C(N[C@@H]1C[C@H]1[*:1])N1CCCCCC1
COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3s/c(=C\[C@@H]4C=CC=N4)c(=O)n32)c(OC)c1 CC(=O)[*:1] COc1ccc(c(c1)OC)[C@@H]1C(=C(C)N=c2s/c(=C\[C@@H]3C=CC=N3)c(=O)n21)[*:1]
COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3s/c(=C\[C@@H]4C=CC=N4)c(=O)n32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] CC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C=CC=N3)c(=O)n2[C@@H]1[*:1]
Cn1cc(C(=O)Nc2cccc(OC(F)F)c2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2cccc(c2)OC(F)F)c(n1)[*:1]
Cn1cc(C(=O)Nc2cccc(OC(F)F)c2)c(C(C)(C)C)n1 FC(F)O[*:1] Cn1cc(C(=O)Nc2cccc(c2)[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2cccc(OC(F)F)c2)c(C(C)(C)C)n1 FC(F)[*:1] Cn1cc(C(=O)Nc2cccc(c2)O[*:1])c(n1)C(C)(C)C
C=C(C)C[C@H]([NH2+]CCC)[C@H]1CN(C)CCO1 CCC[*:1] C=C(C)C[C@H]([NH2+][*:1])[C@H]1CN(C)CCO1
C=C(C)C[C@H]([NH2+]CCC)[C@H]1CN(C)CCO1 C=C(C)[*:1] CCC[NH2+][C@@H](C[*:1])[C@H]1CN(C)CCO1
C=C(C)C[C@H]([NH2+]CCC)[C@H]1CN(C)CCO1 C=C(C)C[*:1] CCC[NH2+][C@H]([C@H]1CN(C)CCO1)[*:1]
O=C(NCCCn1nc2ccccn2c1=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(NCCCn1nc2ccccn2c1=O)N[*:1]
O[C@@H](C[C@@H]1CCCCCN1c1nc(C(F)F)nc2ccccc12)c1ccco1 c1coc(c1)[*:1] O[C@@H](C[C@@H]1CCCCCN1c1nc(nc2ccccc12)C(F)F)[*:1]
O[C@@H](C[C@@H]1CCCCCN1c1nc(C(F)F)nc2ccccc12)c1ccco1 FC(F)[*:1] O[C@@H](C[C@@H]1CCCCCN1c1nc(nc2ccccc12)[*:1])c1ccco1
CN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc12)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc12)[*:1]
Cc1noc(CO/N=C(/N)[C@H]2CCOC2)n1 C1C[C@@H](CO1)[*:1] Cc1noc(CO/N=C(/N)[*:1])n1
CC(C)c1n[nH]c(C(=O)Nc2ccccn2)c1Br CC(C)[*:1] O=C(Nc1ccccn1)c1[nH]nc(c1Br)[*:1]
CC(C)c1n[nH]c(C(=O)Nc2ccccn2)c1Br c1ccc(nc1)[*:1] CC(C)c1n[nH]c(C(=O)N[*:1])c1Br
COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CCN(Cc2ccccc2Cl)C3)c1 Clc1ccccc1C[*:1] COc1cccc(c1)Cn1nc(C(=O)N2CCC[C@@H](O)C2)c2CN(CCc21)[*:1]
COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CCN(Cc2ccccc2Cl)C3)c1 Clc1ccccc1[*:1] COc1cccc(c1)Cn1nc(C(=O)N2CCC[C@@H](O)C2)c2CN(CCc21)C[*:1]
COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CCN(Cc2ccccc2Cl)C3)c1 COc1cccc(c1)[*:1] O=C(c1nn(C[*:1])c2CCN(Cc3ccccc3Cl)Cc12)N1CCC[C@@H](O)C1
COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CCN(Cc2ccccc2Cl)C3)c1 COc1cccc(c1)C[*:1] O=C(c1nn(c2CCN(Cc3ccccc3Cl)Cc12)[*:1])N1CCC[C@@H](O)C1
c1cnc2ncc(CN3CCO[C@@H](c4nccs4)C3)n2c1 c1csc(n1)[*:1] c1cnc2ncc(CN3CCO[C@@H](C3)[*:1])n2c1
O=C(NCc1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2)[C@@H]1CCOC1 c1ccc(cc1)[*:1] O=C(NCc1nnc2CCN(CCn21)CC(Cl)=C[*:1])[C@@H]1CCOC1
O=C(NCc1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2)[C@@H]1CCOC1 Cl/C(=C\c1ccccc1)[*:1] O=C(NCc1nnc2CCN(CCn21)C[*:1])[C@@H]1CCOC1
Cc1sc2ccccc2c1S(=O)(=O)N(CCC#N)CC1CC1 C1CC1C[*:1] Cc1sc2ccccc2c1S(=O)(=O)N(CCC#N)[*:1]
Cc1sc2ccccc2c1S(=O)(=O)N(CCC#N)CC1CC1 C1CC1[*:1] Cc1sc2ccccc2c1S(=O)(=O)N(CCC#N)C[*:1]
Cc1sc2ccccc2c1S(=O)(=O)N(CCC#N)CC1CC1 N#CCC[*:1] Cc1sc2ccccc2c1S(=O)(=O)N(CC1CC1)[*:1]
Cc1sc2ccccc2c1S(=O)(=O)N(CCC#N)CC1CC1 N#CC[*:1] Cc1sc2ccccc2c1S(=O)(=O)N(CC1CC1)C[*:1]
CC[C@H](OC(=O)c1cc(C)nn1C)c1cc(C)ccc1OC Cc1cc(n(C)n1)[*:1] CC[C@H](OC(=O)[*:1])c1cc(C)ccc1OC
CCN1C[C@@H](CN(C)Cc2ccc(C(=O)OC)cc2)Oc2ccccc21 COC(=O)[*:1] CCN1C[C@@H](CN(C)Cc2ccc(cc2)[*:1])Oc2ccccc21
O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CC(=O)[*:1]
COc1ccc(-c2onc(C)c2C(=O)NCCc2cccc(Cl)c2)cc1 Clc1cccc(c1)C[*:1] COc1ccc(cc1)-c1onc(C)c1C(=O)NC[*:1]
COc1ccc(-c2onc(C)c2C(=O)NCCc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)-c1onc(C)c1C(=O)NCC[*:1]
COc1ccc(-c2onc(C)c2C(=O)NCCc2cccc(Cl)c2)cc1 COc1ccc(cc1)[*:1] Cc1noc(c1C(=O)NCCc1cccc(Cl)c1)[*:1]
O=C(NCc1cc(F)cc(Br)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(NCc1cc(F)cc(Br)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cccnc1N1CCCC1 C1CCN(C1)[*:1] O=C(NCC1(CCOCC1)c1ccc(Cl)cc1)c1cccnc1[*:1]
O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cccnc1N1CCCC1 Clc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])c1cccnc1N1CCCC1
O=C(CSc1nnc(Nc2cccc(F)c2)s1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 Fc1cccc(c1)[*:1] O=C(CSc1nnc(N[*:1])s1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1
O=C(CSc1nnc(Nc2cccc(F)c2)s1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CSc1nnc(Nc2cccc(F)c2)s1)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(CSc1nnc(Nc2cccc(F)c2)s1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 Fc1cccc(c1)N[*:1] O=C(CSc1nnc(s1)[*:1])N(c1ccccc1)[C@H]1CCS(=O)(=O)C1
O=C(CCc1nc(C2CCCC2)no1)c1ccc(F)c(F)c1 C1CCC(C1)[*:1] O=C(CCc1nc(no1)[*:1])c1ccc(F)c(F)c1
CN(C)c1ncc(-c2nccn2Cc2ccc(S(N)(=O)=O)cc2)cn1 CN(C)[*:1] NS(=O)(=O)c1ccc(cc1)Cn1ccnc1-c1cnc(nc1)[*:1]
CN(C)c1ncc(-c2nccn2Cc2ccc(S(N)(=O)=O)cc2)cn1 NS(=O)(=O)[*:1] CN(C)c1ncc(cn1)-c1nccn1Cc1ccc(cc1)[*:1]
CCc1nsc(NC[C@H](CC(C)C)C(=O)[O-])n1 O=C([O-])[*:1] CCc1nsc(n1)NC[C@H](CC(C)C)[*:1]
CCc1nsc(NC[C@H](CC(C)C)C(=O)[O-])n1 CC(C)C[*:1] CCc1nsc(n1)NC[C@H](C(=O)[O-])[*:1]
CCc1nsc(NC[C@H](CC(C)C)C(=O)[O-])n1 CC(C)[*:1] CCc1nsc(n1)NC[C@H](C[*:1])C(=O)[O-]
CC(C)(CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1 CC(C)(c1ccccc1)[*:1] O=C(NC[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
CC(C)(CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)(CNC(=O)N1CCC[C@@H]1[*:1])c1ccccc1
CC(C)(CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)[*:1]
CCN(C(=O)[C@@H](C)[S@](=O)c1ccc(OC)c(OC)c1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)[C@@H](C)[S@](=O)c1ccc(OC)c(c1)OC)[*:1]
CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C)nc2onc(C)c12 CCC[*:1] Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2[*:1])c2c(C)noc2n1
C[C@H](NC(=O)N[C@H](C)[C@@H](C)CO)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H](NC(=O)N[C@H](C)[C@@H](C)CO)c1cccc(c1)[*:1]
C[C@H](NC(=O)N[C@H](C)[C@@H](C)CO)c1cccc(N2CCCC2)c1 C[C@@H](CO)[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])c1cccc(c1)N1CCCC1
CNC(=O)c1cccc(CCNCc2ccc(OC)c(F)c2)c1 CNC(=O)[*:1] COc1ccc(cc1F)CNCCc1cccc(c1)[*:1]
OC[C@]1([NH2+]C2CC2)CC[C@H](Oc2cc(F)cc(F)c2)C1 C1CC1[*:1] OC[C@@]1(CC[C@@H](C1)Oc1cc(F)cc(F)c1)[NH2+][*:1]
C[C@H](SCCn1cc[nH+]c1)c1nc(-c2cccs2)no1 c1csc(c1)[*:1] C[C@H](SCCn1cc[nH+]c1)c1nc(no1)[*:1]
O=C(CCOc1ccc(F)cc1)NCc1csc(C2CC2)n1 C1CC1[*:1] O=C(CCOc1ccc(F)cc1)NCc1csc(n1)[*:1]
O=C(CCOc1ccc(F)cc1)NCc1csc(C2CC2)n1 Fc1ccc(cc1)[*:1] O=C(CCO[*:1])NCc1csc(n1)C1CC1
CCOc1ccc(C2=CCN(C(=O)c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ccccc3F)CC2)cc1 CCO[*:1] O=C(c1ccccc1F)N1CC=C(CC1)c1ccc(cc1)[*:1]
CC(C)c1ccc(COc2ccc(C(=O)N3CCOCC3)cc2)cc1 O=C(N1CCOCC1)[*:1] CC(C)c1ccc(cc1)COc1ccc(cc1)[*:1]
CC(C)c1ccc(COc2ccc(C(=O)N3CCOCC3)cc2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)OCc1ccc(cc1)[*:1])N1CCOCC1
CC(C)C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1Cc2ccccc2O1 CC(C)[*:1] CS(=O)(=O)N[C@@H](C[*:1])C(=O)NC[C@H]1Cc2ccccc2O1
CC(C)C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1Cc2ccccc2O1 CC(C)C[*:1] CS(=O)(=O)N[C@H](C(=O)NC[C@H]1Cc2ccccc2O1)[*:1]
CC(C)C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1Cc2ccccc2O1 CS(=O)(=O)N[*:1] CC(C)C[C@H](C(=O)NC[C@H]1Cc2ccccc2O1)[*:1]
CC(=O)C[C@@H](C)C(=O)c1ccc(C2CC2)cc1 CC(=O)C[*:1] C[C@@H](C(=O)c1ccc(cc1)C1CC1)[*:1]
CC(=O)C[C@@H](C)C(=O)c1ccc(C2CC2)cc1 C1CC1[*:1] CC(=O)C[C@@H](C)C(=O)c1ccc(cc1)[*:1]
CC(=O)C[C@@H](C)C(=O)c1ccc(C2CC2)cc1 CC(=O)[*:1] C[C@H](C[*:1])C(=O)c1ccc(cc1)C1CC1
COC(=O)c1ccccc1S(=O)(=O)/N=C(\[O-])[C@H]1CCN(c2ccccc2Br)C1=O Brc1ccccc1[*:1] COC(=O)c1ccccc1S(=O)(=O)/N=C(\[O-])[C@H]1CCN(C1=O)[*:1]
COC(=O)c1ccccc1S(=O)(=O)/N=C(\[O-])[C@H]1CCN(c2ccccc2Br)C1=O COC(=O)[*:1] O=C1[C@H](CCN1c1ccccc1Br)/C([O-])=N/S(=O)(=O)c1ccccc1[*:1]
O=C(CCc1nc(-c2ccccc2F)no1)N1CCC(c2cc(=O)[nH]cn2)CC1 O=c1cc(nc[nH]1)[*:1] O=C(CCc1nc(no1)-c1ccccc1F)N1CCC(CC1)[*:1]
O=C(CCc1nc(-c2ccccc2F)no1)N1CCC(c2cc(=O)[nH]cn2)CC1 Fc1ccccc1[*:1] O=C(CCc1nc(no1)[*:1])N1CCC(CC1)c1cc(=O)[nH]cn1
COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2c1 O=[N+]([O-])[*:1] COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(cc3)[*:1])c2c1
CC(C)Cn1cc(NC(=O)c2sc3ccccc3c2Cl)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)C[*:1])c1sc2ccccc2c1Cl
CC(C)Cn1cc(NC(=O)c2sc3ccccc3c2Cl)cn1 CC(C)C[*:1] O=C(Nc1cnn(c1)[*:1])c1sc2ccccc2c1Cl
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCNC(=O)C(C)(C)C CC(C)(C)[*:1] CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCNC(=O)[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCNC(=O)C(C)(C)C CC(C)[*:1] C[C@@H]1CC[C@H]([C@@H](C1)NC(=O)CCCNC(=O)C(C)(C)C)[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCNC(=O)C(C)(C)C CC(C)(C)C(=O)N[*:1] CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCC[*:1]
Cc1ccc(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(F)c(F)c1
Cc1ccc(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)cc1C Fc1ccc(cc1F)[*:1] Cc1ccc(cc1C)-c1csc(n1)NC(=O)[*:1]
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCCCO4)C2=O)cc1 COc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccc3OCCCOc3c2)C1=O)[*:1]
Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)cc1 CC(C)C[*:1] Cc1ccc(cc1)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[*:1]
Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)cc1 Cc1ccc(cc1)C[*:1] CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[*:1]
Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[*:1]
Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[*:1]
CCCOc1ncnc(O[C@H]2C[C@H](C)CC(C)(C)C2)c1N CCC[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)Oc1ncnc(O[*:1])c1N
CCCOc1ncnc(O[C@H]2C[C@H](C)CC(C)(C)C2)c1N CCCO[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)Oc1ncnc(c1N)[*:1]
O=C(c1cccc(OC(F)(F)F)c1)[C@H]1C[NH+]2CCN1CC2 FC(F)(F)[*:1] O=C(c1cccc(c1)O[*:1])[C@H]1C[NH+]2CCN1CC2
O=C(c1cccc(OC(F)(F)F)c1)[C@H]1C[NH+]2CCN1CC2 FC(F)(F)O[*:1] O=C(c1cccc(c1)[*:1])[C@H]1C[NH+]2CCN1CC2
CN(Cc1cccc(Br)c1)C[C@@H]1[C@H]([NH3+])C(C)(C)OC1(C)C Brc1cccc(c1)[*:1] CN(C[C@@H]1[C@H]([NH3+])C(C)(C)OC1(C)C)C[*:1]
O=C(N(Cc1ccccc1)C1CC1)C1(c2cccc(F)c2)CC1 C1CC1[*:1] O=C(N(Cc1ccccc1)[*:1])C1(CC1)c1cccc(F)c1
O=C(N(Cc1ccccc1)C1CC1)C1(c2cccc(F)c2)CC1 c1ccc(cc1)[*:1] O=C(N(C[*:1])C1CC1)C1(CC1)c1cccc(F)c1
O=C(N(Cc1ccccc1)C1CC1)C1(c2cccc(F)c2)CC1 c1ccc(cc1)C[*:1] O=C(N(C1CC1)[*:1])C1(CC1)c1cccc(F)c1
O=C(N(Cc1ccccc1)C1CC1)C1(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(N(Cc1ccccc1)C1CC1)C1(CC1)[*:1]
Cc1cc(=O)n2c(n1)NC(Nc1ccccc1Cl)=[NH+][C@H]2c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1cc(=O)n2c(n1)NC(Nc1ccccc1Cl)=[NH+][C@@H]2[*:1]
Cc1cc(=O)n2c(n1)NC(Nc1ccccc1Cl)=[NH+][C@H]2c1ccc(Cl)cc1 Clc1ccccc1[*:1] Cc1cc(=O)n2c(n1)NC(N[*:1])=[NH+][C@H]2c1ccc(Cl)cc1
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(C)sc2C)cc1 Cc1cc(c(C)s1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(C)sc2C)cc1 CC(=O)N[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)C(C)(C)NC(=O)c1cc(F)cc2[nH]cnc12 CCOC(=O)[*:1] CC(C)(NC(=O)c1cc(F)cc2[nH]cnc12)[*:1]
CCC[C@H](C)N1C[C@H](c2nc(-c3cnccn3)no2)CC1=O CCC[*:1] C[C@H](N1C[C@@H](CC1=O)c1nc(no1)-c1cnccn1)[*:1]
CCC[C@H](C)N1C[C@H](c2nc(-c3cnccn3)no2)CC1=O CCC[C@H](C)[*:1] O=C1C[C@H](CN1[*:1])c1nc(no1)-c1cnccn1
CCC[C@H](C)N1C[C@H](c2nc(-c3cnccn3)no2)CC1=O c1cnc(cn1)[*:1] CCC[C@H](C)N1C[C@@H](CC1=O)c1nc(no1)[*:1]
COC(=O)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 COC(=O)[*:1] NC(=O)c1c(NC(=O)CC[*:1])sc2CCCCc21
COC(=O)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 NC(=O)[*:1] COC(=O)CCC(=O)Nc1sc2CCCCc2c1[*:1]
COC(=O)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 COC(=O)C[*:1] NC(=O)c1c(NC(=O)C[*:1])sc2CCCCc21
COC(=O)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 COC(=O)CC[*:1] NC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
CC(C)(C)OC(=O)[C@@H]1c2nc3ccccc3nc2N(CCC2=c3ccccc3=[NH+]C2)[C@@H]1[NH3+] CC(C)(C)OC(=O)[*:1] [NH3+][C@@H]1[C@@H](c2nc3ccccc3nc2N1CCC1C[NH+]=c2ccccc2=1)[*:1]
CC(C)(C)OC(=O)[C@@H]1c2nc3ccccc3nc2N(CCC2=c3ccccc3=[NH+]C2)[C@@H]1[NH3+] CC(C)(C)[*:1] [NH3+][C@@H]1[C@H](C(=O)O[*:1])c2nc3ccccc3nc2N1CCC1C[NH+]=c2ccccc2=1
C[C@H](SC1CCCC1)C(=O)N[C@@H](C)c1ccc(F)cc1 C1CCC(C1)S[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])c1ccc(F)cc1
C[C@H](SC1CCCC1)C(=O)N[C@@H](C)c1ccc(F)cc1 C1CCC(C1)[*:1] C[C@H](S[*:1])C(=O)N[C@@H](C)c1ccc(F)cc1
Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)Cn3cnccc3=O)n2)n1 O=c1ccncn1C[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CCNC(=O)[*:1])n1
Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)Cn3cnccc3=O)n2)n1 O=c1ccncn1[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CCNC(=O)C[*:1])n1
Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)Cn3cnccc3=O)n2)n1 Cc1cc(C)n(n1)[*:1] O=C(Cn1cnccc1=O)NCCn1nc(ccc1=O)[*:1]
Cc1cc(C)c(C(=O)N(CCC(F)(F)F)CC2CC2)o1 FC(F)(F)CC[*:1] Cc1cc(C)c(o1)C(=O)N(CC1CC1)[*:1]
Cc1cc(C)c(C(=O)N(CCC(F)(F)F)CC2CC2)o1 FC(F)(F)C[*:1] Cc1cc(C)c(o1)C(=O)N(CC1CC1)C[*:1]
Cc1cc(C)c(C(=O)N(CCC(F)(F)F)CC2CC2)o1 C1CC1C[*:1] Cc1cc(C)c(o1)C(=O)N(CCC(F)(F)F)[*:1]
Cc1cc(C)c(C(=O)N(CCC(F)(F)F)CC2CC2)o1 FC(F)(F)[*:1] Cc1cc(C)c(o1)C(=O)N(CC[*:1])CC1CC1
Cc1cc(C)c(C(=O)N(CCC(F)(F)F)CC2CC2)o1 C1CC1[*:1] Cc1cc(C)c(o1)C(=O)N(CCC(F)(F)F)C[*:1]
CC(=O)N(C)c1cccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 CC(=O)N(C)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NC(=S)Nc1cccc(c1)[*:1]
CC(=O)N(C)c1cccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CC(=O)N(C)c1cccc(c1)NC(=S)NC(=O)/C=C/c1cccc(c1)[*:1]
CC(=O)N(C)c1cccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])c1cccc(c1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=S)NC(=O)C=C[*:1]
Cc1nn(-c2ccc(F)cc2)c2[nH]nc(NC(=O)Cn3ccnc3)c12 Fc1ccc(cc1)[*:1] Cc1nn(c2[nH]nc(NC(=O)Cn3ccnc3)c12)[*:1]
Cc1nn(-c2ccc(F)cc2)c2[nH]nc(NC(=O)Cn3ccnc3)c12 c1cn(cn1)C[*:1] Cc1nn(-c2ccc(F)cc2)c2[nH]nc(NC(=O)[*:1])c12
Cc1nn(-c2ccc(F)cc2)c2[nH]nc(NC(=O)Cn3ccnc3)c12 c1cn(cn1)[*:1] Cc1nn(-c2ccc(F)cc2)c2[nH]nc(NC(=O)C[*:1])c12
Cc1ccc(C(=O)NCc2ncc[nH]2)cc1S(=O)(=O)NC1CCCC1 c1c[nH]c(n1)[*:1] Cc1ccc(cc1S(=O)(=O)NC1CCCC1)C(=O)NC[*:1]
Cc1ccc(C(=O)NCc2ncc[nH]2)cc1S(=O)(=O)NC1CCCC1 c1c[nH]c(C[*:1])n1 Cc1ccc(cc1S(=O)(=O)NC1CCCC1)C(=O)N[*:1]
Cc1ccc(C(=O)NCc2ncc[nH]2)cc1S(=O)(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])C(=O)NCc1ncc[nH]1
O=C(CS[C@@H]1NN=C(c2ccccc2)N1c1ccccc1)C1=NC=CC1 c1ccc(cc1)[*:1] O=C(CS[C@@H]1NN=C(N1c1ccccc1)[*:1])C1CC=CN=1
O=C(CS[C@@H]1NN=C(c2ccccc2)N1c1ccccc1)C1=NC=CC1 c1ccc(cc1)[*:1] O=C(CS[C@@H]1NN=C(c2ccccc2)N1[*:1])C1CC=CN=1
NS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCOC2)c1 NS(=O)(=O)[*:1] O=C(NC[C@H]1CCCOC1)c1cccc(c1)[*:1]
NS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCOC2)c1 C1COC[C@H](C1)[*:1] NS(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
Cc1ccc(F)c(NC(=S)NNC(=O)Cc2nc3nc(C)cc(C)n3n2)c1 Cc1ccc(F)c(c1)[*:1] Cc1cc(C)n2nc(CC(=O)NNC(=S)N[*:1])nc2n1
COC(=O)C1=C(C)C(C(=O)NCCC(=O)Nc2cccc(C)n2)=N[C@@H]1C COC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)NCCC(=O)Nc1cccc(C)n1
COC(=O)C1=C(C)C(C(=O)NCCC(=O)Nc2cccc(C)n2)=N[C@@H]1C Cc1cccc(n1)[*:1] COC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)NCCC(=O)N[*:1]
O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCC[C@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCC[C@@H]1[*:1]
O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCC[C@H]1c1ccc(O)cc1 c1ccc(cc1)[*:1] O=C(c1nn(C[*:1])c(=O)c2ccccc12)N1CCC[C@H]1c1ccc(O)cc1
O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCC[C@H]1c1ccc(O)cc1 c1ccc(cc1)C[*:1] O=C(c1nn(c(=O)c2ccccc12)[*:1])N1CCC[C@H]1c1ccc(O)cc1
CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(OCC(F)F)c1 FC(F)[*:1] CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(c1)OC[*:1]
CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(OCC(F)F)c1 CC(C)[*:1] O=C(NCc1ccnc(c1)OCC(F)F)[C@@H]1CCCN1C(=O)N[*:1]
CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(OCC(F)F)c1 FC(F)CO[*:1] CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(c1)[*:1]
CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(OCC(F)F)c1 FC(F)C[*:1] CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(c1)O[*:1]
C#CCN(C(=O)NCCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(C(=O)NCCCn1cccn1)[*:1]
C#CCN(C(=O)NCCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(NCCCn1cccn1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(C(=O)NCCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 c1cnn(c1)[*:1] C#CCN(C(=O)NCCC[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(C(=O)NCCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 c1cnn(c1)C[*:1] C#CCN(C(=O)NCC[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(C(=O)NCCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 c1cnn(c1)CC[*:1] C#CCN(C(=O)NC[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccccc1C[C@H](C)[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 Cc1ccccc1C[*:1] C[C@@H](C[NH2+][C@@H](C)[*:1])c1nc(no1)-c1ccccc1
Cc1ccccc1C[C@H](C)[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1ccccc1C[C@H](C)[NH2+]C[C@H](C)c1nc(no1)[*:1]
Cc1ccccc1C[C@H](C)[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 Cc1ccccc1[*:1] C[C@@H](C[*:1])[NH2+]C[C@H](C)c1nc(no1)-c1ccccc1
COC(=O)c1sc2nc(C)nc(N[C@H](C)c3ccc(C#N)cc3)c2c1C COC(=O)[*:1] Cc1nc(N[C@H](C)c2ccc(C#N)cc2)c2c(C)c(sc2n1)[*:1]
COC(=O)c1sc2nc(C)nc(N[C@H](C)c3ccc(C#N)cc3)c2c1C N#Cc1ccc(cc1)[*:1] COC(=O)c1sc2nc(C)nc(N[C@H](C)[*:1])c2c1C
C=CCn1c(=O)c2c(nc3n2CCCN3c2ccccc2)n(C)c1=O C=CC[*:1] Cn1c(=O)n(c(=O)c2c1nc1N(CCCn12)c1ccccc1)[*:1]
C=CCn1c(=O)c2c(nc3n2CCCN3c2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] C=CCn1c(=O)c2c(nc3N(CCCn32)[*:1])n(C)c1=O
Nc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)n[nH]1 Nc1cc(n[nH]1)[*:1] O=C(N1CCC[C@H](C1)N1CCN(CC1)c1ccccc1)[*:1]
Nc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)n[nH]1 c1ccc(cc1)[*:1] Nc1cc(n[nH]1)C(=O)N1CCC[C@H](C1)N1CCN(CC1)[*:1]
CCCCN(C(=O)N[C@H](C)c1cn(C)nc1C)[C@@H](C)c1ccccc1 CCC[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)N(C[*:1])[C@@H](C)c1ccccc1
CCCCN(C(=O)N[C@H](C)c1cn(C)nc1C)[C@@H](C)c1ccccc1 Cc1nn(C)cc1[*:1] CCCCN(C(=O)N[C@H](C)[*:1])[C@@H](C)c1ccccc1
CCCCN(C(=O)N[C@H](C)c1cn(C)nc1C)[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CCCCN(C(=O)N[C@H](C)c1cn(C)nc1C)[*:1]
CCCCN(C(=O)N[C@H](C)c1cn(C)nc1C)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCCCN(C(=O)N[C@H](C)c1cn(C)nc1C)[C@@H](C)[*:1]
CCCCN(C(=O)N[C@H](C)c1cn(C)nc1C)[C@@H](C)c1ccccc1 CCCC[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)N([C@@H](C)c1ccccc1)[*:1]
c1ccc(-n2cc(CNc3ccc4nnc(C5CC5)n4n3)nn2)cc1 c1ccc(cc1)[*:1] c1cc2nnc(C3CC3)n2nc1NCc1cn(nn1)[*:1]
c1ccc(-n2cc(CNc3ccc4nnc(C5CC5)n4n3)nn2)cc1 C1CC1[*:1] c1ccc(cc1)-n1cc(CNc2ccc3nnc(n3n2)[*:1])nn1
COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(OC)c1 Oc1ccc(cc1)[*:1] COc1cc(OC)c(C(=O)C=C[*:1])c(c1)OC
CNC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(nc1)N1CCOCC1
CNC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1 C1CN(CCO1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)c1ccc(nc1)[*:1]
Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc(Cl)cc4Cl)C3=O)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C2=O)c2ccc(Cl)cc2Cl)c(C)n1[*:1]
Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc(Cl)cc4Cl)C3=O)c2C)no1 Clc1ccc(c(Cl)c1)[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(C2=O)[*:1])c1C
Cc1cccc(C)c1NC(=S)N(Cc1cccc(Cl)c1)Cc1ccco1 c1coc(c1)C[*:1] Cc1cccc(C)c1NC(=S)N(Cc1cccc(Cl)c1)[*:1]
Cc1cccc(C)c1NC(=S)N(Cc1cccc(Cl)c1)Cc1ccco1 Clc1cccc(c1)[*:1] Cc1cccc(C)c1NC(=S)N(Cc1ccco1)C[*:1]
Cc1cccc(C)c1NC(=S)N(Cc1cccc(Cl)c1)Cc1ccco1 c1coc(c1)[*:1] Cc1cccc(C)c1NC(=S)N(Cc1cccc(Cl)c1)C[*:1]
Cc1cccc(C)c1NC(=S)N(Cc1cccc(Cl)c1)Cc1ccco1 Cc1cccc(C)c1[*:1] S=C(N[*:1])N(Cc1cccc(Cl)c1)Cc1ccco1
Cc1cccc(C)c1NC(=S)N(Cc1cccc(Cl)c1)Cc1ccco1 Clc1cccc(c1)C[*:1] Cc1cccc(C)c1NC(=S)N(Cc1ccco1)[*:1]
CC(=O)N1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)CC1 CC(C)C[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H]1Cc2ccccc2CN1C(=O)[*:1]
CC(=O)N1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H]1Cc2ccccc2CN1C(=O)C[*:1]
CC(C)(NC(=O)CN1CCCCCCC1=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(NC(=O)CN1CCCCCCC1=O)[*:1]
Cc1nc2cc(NC(=O)CSc3nncn3-c3ccc(C)c(Cl)c3)ccc2o1 Cc1ccc(cc1Cl)[*:1] Cc1nc2cc(ccc2o1)NC(=O)CSc1nncn1[*:1]
CCCc1cc(C(=O)Nc2ccc(Br)cn2)cs1 CCC[*:1] O=C(Nc1ccc(Br)cn1)c1csc(c1)[*:1]
O=C(Nc1ccccc1)N[C@@H](CO)[C@@H](O)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(N[C@@H](CO)[C@@H](O)c1cccc(c1)[N+](=O)[O-])N[*:1]
O=C(Nc1ccccc1)N[C@@H](CO)[C@@H](O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1)N[C@@H](CO)[C@@H](O)c1cccc(c1)[*:1]
CCCCNC(=O)c1ccc(N(CC)CC)cc1 CCC[*:1] CCN(CC)c1ccc(cc1)C(=O)NC[*:1]
CCCCNC(=O)c1ccc(N(CC)CC)cc1 CCN(CC)[*:1] CCCCNC(=O)c1ccc(cc1)[*:1]
CCCCNC(=O)c1ccc(N(CC)CC)cc1 CCCC[*:1] CCN(CC)c1ccc(cc1)C(=O)N[*:1]
Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)c2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1
COC(=O)c1cccc(S(=O)(=O)N[C@H](CO)C(C)C)c1 CC(C)[*:1] COC(=O)c1cccc(c1)S(=O)(=O)N[C@H](CO)[*:1]
COC(=O)c1cccc(S(=O)(=O)N[C@H](CO)C(C)C)c1 COC(=O)[*:1] CC(C)[C@@H](CO)NS(=O)(=O)c1cccc(c1)[*:1]
Cc1sc(Br)cc1S(=O)(=O)NCC(=O)C(C)C CC(C)C(=O)[*:1] Cc1sc(Br)cc1S(=O)(=O)NC[*:1]
Cc1sc(Br)cc1S(=O)(=O)NCC(=O)C(C)C CC(C)[*:1] Cc1sc(Br)cc1S(=O)(=O)NCC(=O)[*:1]
C#CCCOC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] C#CCCOC(=O)c1ccnc(c1)[*:1]
C#CCCOC(=O)c1ccnc(OC(C)(C)C)c1 C#CCC[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)O[*:1]
C#CCCOC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] C#CCCOC(=O)c1ccnc(c1)O[*:1]
C#CCCOC(=O)c1ccnc(OC(C)(C)C)c1 C#CC[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)OC[*:1]
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br FC(F)(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(ccc1Br)S(=O)(=O)N1CCCC1
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br FC(F)(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cc(ccc1Br)S(=O)(=O)N1CCCC1
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)c1cc(ccc1Br)[*:1]
CC(=O)c1ccccc1NC(=O)CCNC(=O)c1ccsc1 CC(=O)[*:1] O=C(CCNC(=O)c1ccsc1)Nc1ccccc1[*:1]
CC(=O)c1ccccc1NC(=O)CCNC(=O)c1ccsc1 c1cc(cs1)[*:1] CC(=O)c1ccccc1NC(=O)CCNC(=O)[*:1]
O=C(Oc1ccc(N2CCOC2=O)cc1)[C@@H]1C[C@H]1c1cccc(Cl)c1 O=C1OCCN1[*:1] O=C(Oc1ccc(cc1)[*:1])[C@@H]1C[C@H]1c1cccc(Cl)c1
O=C(Oc1ccc(N2CCOC2=O)cc1)[C@@H]1C[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Oc1ccc(cc1)N1CCOC1=O)[C@@H]1C[C@@H]1[*:1]
C[C@@H](CNC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)[*:1]
C[C@@H](CNC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)N1CCOCC1 C1CO[C@@H](C1)[*:1] C[C@@H](CNC(=O)N(Cc1cccc(F)c1)C[*:1])N1CCOCC1
C[C@@H](CNC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)N1CCOCC1 C1CO[C@@H](C1)C[*:1] C[C@@H](CNC(=O)N(Cc1cccc(F)c1)[*:1])N1CCOCC1
C[C@@H](CNC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)N1CCOCC1 C[C@@H](N1CCOCC1)[*:1] O=C(NC[*:1])N(Cc1cccc(F)c1)C[C@@H]1CCCO1
C[C@@H](CNC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)N1CCOCC1 Fc1cccc(c1)C[*:1] C[C@@H](CNC(=O)N(C[C@@H]1CCCO1)[*:1])N1CCOCC1
C[C@@H](CNC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)N1CCOCC1 Fc1cccc(c1)[*:1] C[C@@H](CNC(=O)N(C[C@@H]1CCCO1)C[*:1])N1CCOCC1
C[C@@H](CNC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)N1CCOCC1 C[C@@H](C[*:1])N1CCOCC1 O=C(N[*:1])N(Cc1cccc(F)c1)C[C@@H]1CCCO1
COCc1ccccc1NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCc1ccccc1NC(=O)C[C@@H](C)C[*:1]
COCc1ccccc1NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 COC[*:1] C[C@H](CC(=O)Nc1ccccc1[*:1])Cc1ccc(Cl)cc1
CCOc1ccc(-c2ccc(C(=O)NCc3ccc(OC)cc3)s2)cc1 CCO[*:1] COc1ccc(cc1)CNC(=O)c1ccc(s1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2ccc(C(=O)NCc3ccc(OC)cc3)s2)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1ccc(s1)C(=O)NC[*:1]
Cc1ccc[nH+]c1N1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 Cc1ccc[nH+]c1[*:1] O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(CC1)[*:1]
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)C(=O)C2 FC(F)(F)c1cccc(c1)[*:1] CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)[*:1])C(=O)C2
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)C(=O)C2 FC(F)(F)[*:1] CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1cccc(c1)[*:1])C(=O)C2
CC(C)c1ccc([C@@H](C(=O)OC(C)(C)C)[C@@H]([NH3+])C(=O)[O-])cc1 CC(C)(C)OC(=O)[*:1] CC(C)c1ccc(cc1)[C@@H]([C@@H]([NH3+])C(=O)[O-])[*:1]
CC(C)c1ccc([C@@H](C(=O)OC(C)(C)C)[C@@H]([NH3+])C(=O)[O-])cc1 CC(C)[*:1] CC(C)(C)OC(=O)[C@H](c1ccc(cc1)[*:1])[C@@H]([NH3+])C(=O)[O-]
CC(C)c1ccc([C@@H](C(=O)OC(C)(C)C)[C@@H]([NH3+])C(=O)[O-])cc1 CC(C)(C)[*:1] CC(C)c1ccc(cc1)[C@@H](C(=O)O[*:1])[C@@H]([NH3+])C(=O)[O-]
CSCC[C@H]1NC(=S)N(c2ccc(SC)cc2)C1=O CSC[*:1] CSc1ccc(cc1)N1C(=O)[C@@H](C[*:1])NC1=S
CSCC[C@H]1NC(=S)N(c2ccc(SC)cc2)C1=O CSCC[*:1] CSc1ccc(cc1)N1C(=O)[C@H](NC1=S)[*:1]
C[C@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)OC(C)(C)C Fc1ccccc1[*:1] C[C@H](Sc1nnc(C[*:1])o1)C(=O)OC(C)(C)C
C[C@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)O[*:1]
C[C@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)OC(C)(C)C CC(C)(C)OC(=O)[*:1] C[C@H](Sc1nnc(Cc2ccccc2F)o1)[*:1]
C[C@H](SCc1ccco1)c1nc(N)nc(N(C)C)n1 CN(C)[*:1] C[C@H](SCc1ccco1)c1nc(N)nc(n1)[*:1]
C[C@H](SCc1ccco1)c1nc(N)nc(N(C)C)n1 c1coc(c1)[*:1] C[C@H](SC[*:1])c1nc(N)nc(n1)N(C)C
C[C@H](SCc1ccco1)c1nc(N)nc(N(C)C)n1 c1coc(c1)C[*:1] C[C@H](S[*:1])c1nc(N)nc(n1)N(C)C
CCn1nc(C)cc1-c1nnc(CCC(=O)Nc2cccc(C(N)=O)c2)o1 NC(=O)[*:1] CCn1nc(C)cc1-c1nnc(CCC(=O)Nc2cccc(c2)[*:1])o1
CCn1nc(C)cc1-c1nnc(CCC(=O)Nc2cccc(C(N)=O)c2)o1 CCn1nc(C)cc1[*:1] NC(=O)c1cccc(c1)NC(=O)CCc1nnc(o1)[*:1]
CCn1nc(C)cc1-c1nnc(CCC(=O)Nc2cccc(C(N)=O)c2)o1 NC(=O)c1cccc(c1)[*:1] CCn1nc(C)cc1-c1nnc(CCC(=O)N[*:1])o1
CCc1nn(C)cc1C(=O)NC[C@@H](C)Cn1nc(C)cc1C Cc1cc(C)n(n1)[*:1] CCc1nn(C)cc1C(=O)NC[C@@H](C)C[*:1]
Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)ccc1F Cc1cc(ccc1F)[*:1] Cc1ccc(cc1F)NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)ccc1F Cc1ccc(cc1F)[*:1] Cc1cc(ccc1F)-n1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
CCOC(=O)c1csc(N(C)C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCOC(=O)c1csc(n1)N(C)C(=O)[C@@H]1C[C@H]1[*:1]
CCOC(=O)c1csc(N(C)C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)n1 CCOC(=O)[*:1] CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)c1nc(cs1)[*:1]
Cc1ccc(C(=O)N2CCN(Cc3csc(C(C)C)n3)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1nc(cs1)CN1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(Cc3csc(C(C)C)n3)CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)Cc1csc(n1)[*:1]
Cc1ccc(C(=O)N2CCN(Cc3csc(C(C)C)n3)CC2)cc1 CC(C)c1nc(cs1)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C[*:1]
CCn1c([C@H](C)[NH2+][C@H](COC)C(C)C)nc2ccccc21 CC(C)[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+][C@H](COC)[*:1]
CCn1c([C@H](C)[NH2+][C@H](COC)C(C)C)nc2ccccc21 COC[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+][C@H](C(C)C)[*:1]
COCCOCCNC(=O)c1nc(Cl)ccc1Cl COCCO[*:1] O=C(NCC[*:1])c1nc(Cl)ccc1Cl
COCCOCCNC(=O)c1nc(Cl)ccc1Cl COC[*:1] O=C(NCCOC[*:1])c1nc(Cl)ccc1Cl
COCCOCCNC(=O)c1nc(Cl)ccc1Cl COCC[*:1] O=C(NCCO[*:1])c1nc(Cl)ccc1Cl
COCCOCCNC(=O)c1nc(Cl)ccc1Cl COCCOC[*:1] O=C(NC[*:1])c1nc(Cl)ccc1Cl
CC1(C)CN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CCS1 C1CN(CCO1)[*:1] CC1(C)CN(CCS1)C(=O)c1ccc(c(F)c1)[*:1]
CCN(CC)C(=O)CN1CCN(CC(=O)N(C)OC)CC1 CON(C)C(=O)[*:1] CCN(CC)C(=O)CN1CCN(CC1)C[*:1]
CCN(CC)C(=O)CN1CCN(CC(=O)N(C)OC)CC1 CON(C)C(=O)C[*:1] CCN(CC)C(=O)CN1CCN(CC1)[*:1]
CCN(CC)C(=O)CN1CCN(CC(=O)N(C)OC)CC1 CCN(CC)C(=O)[*:1] CON(C)C(=O)CN1CCN(CC1)C[*:1]
CCOc1ccc(NC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)cc1 CCOc1ccc(cc1)[*:1] O=C(CN1C(=O)C2(OCCCO2)c2ccccc21)N[*:1]
CCOc1ccc(NC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)cc1 CCO[*:1] O=C(CN1C(=O)C2(OCCCO2)c2ccccc21)Nc1ccc(cc1)[*:1]
CCO[C@H](CC)C(=O)Nc1cccc(-c2ncc(C)o2)c1 CCO[C@H](CC)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)[*:1]
CCO[C@H](CC)C(=O)Nc1cccc(-c2ncc(C)o2)c1 CCO[*:1] CC[C@H](C(=O)Nc1cccc(c1)-c1ncc(C)o1)[*:1]
CCO[C@H](CC)C(=O)Nc1cccc(-c2ncc(C)o2)c1 Cc1cnc(o1)[*:1] CCO[C@H](CC)C(=O)Nc1cccc(c1)[*:1]
CC(C)CS(=O)(=O)/N=C([O-])/C=C/c1ccc2c(c1)OCO2 CC(C)[*:1] O=S(=O)(C[*:1])/N=C([O-])/C=C/c1ccc2OCOc2c1
CC(C)CS(=O)(=O)/N=C([O-])/C=C/c1ccc2c(c1)OCO2 CC(C)C[*:1] O=S(=O)(/N=C([O-])/C=C/c1ccc2OCOc2c1)[*:1]
COC(=O)[C@H]1C[C@H]([NH3+])CN(C(=O)OCc2ccccc2)C1 c1ccc(cc1)C[*:1] COC(=O)[C@H]1C[C@H]([NH3+])CN(C1)C(=O)O[*:1]
COC(=O)[C@H]1C[C@H]([NH3+])CN(C(=O)OCc2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)[C@H]1C[C@H]([NH3+])CN(C1)C(=O)OC[*:1]
COC(=O)[C@H]1C[C@H]([NH3+])CN(C(=O)OCc2ccccc2)C1 COC(=O)[*:1] [NH3+][C@H]1C[C@@H](CN(C1)C(=O)OCc1ccccc1)[*:1]
CCN(CC)C(=O)[C@H]1CCCN1C(=O)COc1ccc(C(N)=O)cc1 NC(=O)[*:1] CCN(CC)C(=O)[C@H]1CCCN1C(=O)COc1ccc(cc1)[*:1]
CCN(CC)C(=O)[C@H]1CCCN1C(=O)COc1ccc(C(N)=O)cc1 CCN(CC)C(=O)[*:1] NC(=O)c1ccc(cc1)OCC(=O)N1CCC[C@@H]1[*:1]
C[C@H]1C[C@H](C)CN(c2cccc(F)c2C(N)=S)C1 NC(=S)[*:1] C[C@H]1C[C@H](C)CN(C1)c1cccc(F)c1[*:1]
COc1ccc(NC(C)=O)cc1NCc1ccccc1 CC(=O)N[*:1] COc1ccc(cc1NCc1ccccc1)[*:1]
COc1ccc(NC(C)=O)cc1NCc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1NC[*:1])NC(C)=O
O=C1C[C@H](C(=O)N(C2CCCC2)C2CCCC2)CN1c1ccc2c(c1)OCCO2 C1CCC(C1)[*:1] O=C1C[C@@H](CN1c1ccc2OCCOc2c1)C(=O)N(C1CCCC1)[*:1]
O=S(=O)(NNc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)OCCO2 FC(F)(F)[*:1] O=S(=O)(NNc1ccc(cn1)[*:1])c1ccc2OCCOc2c1
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)c(C)o1 NC(=O)[*:1] Cc1cc(C(=O)O[C@H](C)C(=O)Nc2sccc2[*:1])c(C)o1
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1sccc1C(N)=O
CN(Cc1nccs1)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1nccs1)C(=O)N[C@@H]1CCC[C@H]1C[*:1]
CN(Cc1nccs1)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 c1csc(C[*:1])n1 CN(C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1)[*:1]
CN(Cc1nccs1)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CN(Cc1nccs1)C(=O)N[C@@H]1CCC[C@@H]1[*:1]
CN(Cc1nccs1)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 c1csc(n1)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1
Cc1cc(C)cc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cc(C)cc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)CNC(=O)[*:1]
Cc1cc(C)cc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 O=C(Nc1ccccc1)[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)N1CCC(CC1)[*:1]
CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(O)nn2[C@H](C)CCC CCC[*:1] CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(O)nn2[C@H](C)[*:1]
CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(O)nn2[C@H](C)CCC CCC[C@@H](C)[*:1] CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(O)nn2[*:1]
CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(O)nn2[C@H](C)CCC CCCO[*:1] CCC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccccc1[*:1]
CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(O)nn2[C@H](C)CCC CCC[*:1] CCC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccccc1O[*:1]
C[C@@H](CC(=O)N(C)c1c(Cl)cccc1Cl)n1cccc1 c1ccn(c1)[*:1] C[C@@H](CC(=O)N(C)c1c(Cl)cccc1Cl)[*:1]
CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O Fc1ccc(cc1F)[*:1] CCCCCn1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O CCCCC[*:1] O=C(Cn1c(=O)n(c(=O)c2ccccc21)[*:1])Nc1ccc(F)c(F)c1
CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O CCC[*:1] O=C(Cn1c(=O)n(CC[*:1])c(=O)c2ccccc21)Nc1ccc(F)c(F)c1
CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O CCCC[*:1] O=C(Cn1c(=O)n(C[*:1])c(=O)c2ccccc21)Nc1ccc(F)c(F)c1
C[C@]1(CNC(=O)N2CCOC[C@H]2C(=O)[O-])CCCO1 O=C([O-])[*:1] C[C@@]1(CCCO1)CNC(=O)N1CCOC[C@@H]1[*:1]
C[C@]1(CNC(=O)N2CCOC[C@H]2C(=O)[O-])CCCO1 C[C@@]1(CCCO1)[*:1] O=C([O-])[C@@H]1COCCN1C(=O)NC[*:1]
CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(c1F)[*:1]
O=C(C[NH+]1CCCCC1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 c1ccc2oc(cc2c1)[*:1] O=C(C[NH+]1CCCCC1)N1N=C(C[C@@H]1c1ccco1)[*:1]
O=C(C[NH+]1CCCCC1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(C[NH+]1CCCCC1)N1N=C(C[C@H]1[*:1])c1cc2ccccc2o1
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)Cc3sc(Nc4cccnc4)nc3[C@@H](C)[C@H]21 c1cncc(c1)[*:1] C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)Cc3sc(nc3[C@@H](C)[C@H]21)N[*:1]
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)Cc3sc(Nc4cccnc4)nc3[C@@H](C)[C@H]21 c1cncc(c1)N[*:1] C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)Cc3sc(nc3[C@@H](C)[C@H]21)[*:1]
Cc1ccccc1OCCCN(C)C(=O)N[C@H]1CCc2c(O)cccc21 Cc1ccccc1O[*:1] CN(CCC[*:1])C(=O)N[C@H]1CCc2c(O)cccc21
Cc1ccccc1OCCCN(C)C(=O)N[C@H]1CCc2c(O)cccc21 Cc1ccccc1[*:1] CN(CCCO[*:1])C(=O)N[C@H]1CCc2c(O)cccc21
O=C1CC[C@@H]2CN(c3cc[nH+]c4cc(F)ccc34)CC[C@@H]2N1C1CC1 C1CC1[*:1] O=C1CC[C@@H]2CN(CC[C@@H]2N1[*:1])c1cc[nH+]c2cc(F)ccc12
C=CCn1nnnc1S[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C=CCn1nnnc1S[C@H](C)C(=O)N(C)C[*:1]
C=CCn1nnnc1S[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 C=CC[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)N(C)Cc1ccc(Br)cc1
CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C CCO[*:1] CC1=NN(CC[*:1])c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2[C@H]1C
CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C CCOCC[*:1] CC1=NN(c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2[C@H]1C)[*:1]
CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C Clc1cccc(c1)C[*:1] CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C Clc1cccc(c1)[*:1] CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C CCOC[*:1] CC1=NN(C[*:1])c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2[C@H]1C
CCCC[NH2+][C@@H](C)c1ccccc1N(C)C CCCC[*:1] C[C@H]([NH2+][*:1])c1ccccc1N(C)C
CCCC[NH2+][C@@H](C)c1ccccc1N(C)C CCC[*:1] C[C@H]([NH2+]C[*:1])c1ccccc1N(C)C
CCCC[NH2+][C@@H](C)c1ccccc1N(C)C CN(C)[*:1] CCCC[NH2+][C@@H](C)c1ccccc1[*:1]
C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)[*:1]
C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1ccccc1 OCCN[*:1] C[C@@H](Nc1nc(c2ccccc2[nH+]1)[*:1])c1ccccc1
C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1ccccc1 OCC[*:1] C[C@@H](Nc1nc(N[*:1])c2ccccc2[nH+]1)c1ccccc1
O=C(NCCN1CCNC1=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] O=C(NCCN1CCNC1=O)Nc1ccc(cc1)[*:1]
O=C(NCCN1CCNC1=O)Nc1ccc(OCc2ccccc2)cc1 O=C1NCCN1C[*:1] O=C(NC[*:1])Nc1ccc(cc1)OCc1ccccc1
O=C(NCCN1CCNC1=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCCN1CCNC1=O)Nc1ccc(cc1)OC[*:1]
O=C(NCCN1CCNC1=O)Nc1ccc(OCc2ccccc2)cc1 O=C1NCCN1[*:1] O=C(NCC[*:1])Nc1ccc(cc1)OCc1ccccc1
O=C(NCCN1CCNC1=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(NCCN1CCNC1=O)Nc1ccc(cc1)O[*:1]
O=C(NCCN1CCNC1=O)Nc1ccc(OCc2ccccc2)cc1 O=C1NCCN1CC[*:1] O=C(Nc1ccc(cc1)OCc1ccccc1)N[*:1]
CCn1cc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)cn1 CCn1cc(cn1)[*:1] C[C@@H](Oc1cccc(/C=C/C(=O)[*:1])c1)C(=O)[O-]
CCn1cc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)cn1 O=C([O-])[*:1] CCn1cc(cn1)C(=O)/C=C/c1cccc(c1)O[C@H](C)[*:1]
CS(=O)(=O)[N-]c1cccc(-c2nc(Cc3ccc(Cl)cc3)no2)c1 Clc1ccc(cc1)C[*:1] CS(=O)(=O)[N-]c1cccc(c1)-c1nc(no1)[*:1]
CS(=O)(=O)[N-]c1cccc(-c2nc(Cc3ccc(Cl)cc3)no2)c1 Clc1ccc(cc1)[*:1] CS(=O)(=O)[N-]c1cccc(c1)-c1nc(C[*:1])no1
C[C@@H](OC[C@H]1CCCCO1)/C([O-])=N/S(=O)(=O)c1ccc(F)c2ncccc12 C1CC[C@H](CO[*:1])OC1 C[C@@H](/C([O-])=N/S(=O)(=O)c1ccc(F)c2ncccc12)[*:1]
C[C@@H](OC[C@H]1CCCCO1)/C([O-])=N/S(=O)(=O)c1ccc(F)c2ncccc12 C1CC[C@@H](OC1)[*:1] C[C@@H](OC[*:1])/C([O-])=N/S(=O)(=O)c1ccc(F)c2ncccc12
C[C@@H](OC[C@H]1CCCCO1)/C([O-])=N/S(=O)(=O)c1ccc(F)c2ncccc12 C1CC[C@H](C[*:1])OC1 C[C@@H](O[*:1])/C([O-])=N/S(=O)(=O)c1ccc(F)c2ncccc12
C[C@H]1CN(C2CCN(C(=O)Cc3cccc(O)c3)CC2)C[C@@H](C)O1 Oc1cccc(c1)C[*:1] C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)[*:1]
C[C@H]1CN(C2CCN(C(=O)Cc3cccc(O)c3)CC2)C[C@@H](C)O1 Oc1cccc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)C[*:1]
O=C(OCc1ccco1)/C(=C\c1ccccc1)NC(=O)c1ccco1 c1coc(c1)C[*:1] O=C(O[*:1])/C(=C\c1ccccc1)NC(=O)c1ccco1
O=C(OCc1ccco1)/C(=C\c1ccccc1)NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 O=C(OCc1ccco1)C(=Cc1ccccc1)[*:1]
O=C(OCc1ccco1)/C(=C\c1ccccc1)NC(=O)c1ccco1 c1ccc(cc1)[*:1] O=C(OCc1ccco1)C(=C[*:1])NC(=O)c1ccco1
O=C(OCc1ccco1)/C(=C\c1ccccc1)NC(=O)c1ccco1 c1coc(c1)[*:1] O=C(OC[*:1])/C(=C\c1ccccc1)NC(=O)c1ccco1
O=C(OCc1ccco1)/C(=C\c1ccccc1)NC(=O)c1ccco1 c1coc(c1)[*:1] O=C(OCc1ccco1)/C(=C\c1ccccc1)NC(=O)[*:1]
Cc1cc(NC(=O)C(=O)NCC(C2CC2)C2CC2)ccc1C(=O)N(C)C C1CC1C(C[*:1])C1CC1 Cc1cc(ccc1C(=O)N(C)C)NC(=O)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)NCC(C2CC2)C2CC2)ccc1C(=O)N(C)C C1CC1[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)C(=O)NCC(C1CC1)[*:1]
Cc1cc(NC(=O)C(=O)NCC(C2CC2)C2CC2)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)C(=O)NCC(C1CC1)C1CC1
Cc1cc(NC(=O)C(=O)NCC(C2CC2)C2CC2)ccc1C(=O)N(C)C C1CC1C(C1CC1)[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)C(=O)NC[*:1]
Cc1nsc(N[C@@H](C)C2CCCC2)c1C(=O)[O-] C1CCC(C1)[*:1] Cc1nsc(N[C@@H](C)[*:1])c1C(=O)[O-]
Cc1nsc(N[C@@H](C)C2CCCC2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(N[C@@H](C)C2CCCC2)c1[*:1]
O=C1c2ccccc2C(=O)N1CCSc1nc(CCC2CCCC2)n[nH]1 C1CCC(C1)C[*:1] O=C1c2ccccc2C(=O)N1CCSc1nc(C[*:1])n[nH]1
O=C1c2ccccc2C(=O)N1CCSc1nc(CCC2CCCC2)n[nH]1 C1CCC(C1)CC[*:1] O=C1c2ccccc2C(=O)N1CCSc1nc(n[nH]1)[*:1]
O=C1c2ccccc2C(=O)N1CCSc1nc(CCC2CCCC2)n[nH]1 C1CCC(C1)[*:1] O=C1c2ccccc2C(=O)N1CCSc1nc(CC[*:1])n[nH]1
Cc1ncsc1C(=O)N[C@H](C)c1ccc(F)cc1 Cc1ncsc1[*:1] C[C@@H](NC(=O)[*:1])c1ccc(F)cc1
C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1n1cc[nH+]c1 O=[N+]([O-])[*:1] C[C@@H]1CCN(C[C@H]1n1cc[nH+]c1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CC[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[*:1]
CC[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[C@H]1CCCO1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)[*:1])[C@H]1CCCO1
CC[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[C@H]1CCCO1 CS(=O)(=O)C[*:1] CC[C@@H](NC(=O)N[C@@H](c1ccccc1)[*:1])[C@H]1CCCO1
CC[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[C@H]1CCCO1 CS(=O)(=O)[*:1] CC[C@@H](NC(=O)N[C@@H](C[*:1])c1ccccc1)[C@H]1CCCO1
CCOC(OCC)[C@@H]([NH2+]C)c1ccc2c(c1)OCCCO2 CCO[*:1] CCOC([C@@H]([NH2+]C)c1ccc2OCCCOc2c1)[*:1]
CCOC(OCC)[C@@H]([NH2+]C)c1ccc2c(c1)OCCCO2 CCOC(OCC)[*:1] C[NH2+][C@@H](c1ccc2OCCCOc2c1)[*:1]
COCCNC(=O)COc1ccc(F)cc1F COCC[*:1] O=C(COc1ccc(F)cc1F)N[*:1]
COCCNC(=O)COc1ccc(F)cc1F COC[*:1] O=C(COc1ccc(F)cc1F)NC[*:1]
COc1cccc2c1OC[C@H](NC(=O)CCC(=O)c1cccs1)C2 c1csc(c1)[*:1] COc1cccc2C[C@H](COc21)NC(=O)CCC(=O)[*:1]
COc1cccc2c1OC[C@H](NC(=O)CCC(=O)c1cccs1)C2 O=C(C[*:1])c1cccs1 COc1cccc2C[C@H](COc21)NC(=O)C[*:1]
COc1cccc2c1OC[C@H](NC(=O)CCC(=O)c1cccs1)C2 O=C(c1cccs1)[*:1] COc1cccc2C[C@H](COc21)NC(=O)CC[*:1]
C[C@@H](C(=O)NCCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 c1ccc(cc1)CC[*:1] C[C@@H](C(=O)N[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
C[C@@H](C(=O)NCCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] C[C@@H](C(=O)NCCc1ccccc1)N1CCc2ccc(cc2C1)[*:1]
C[C@@H](C(=O)NCCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)NC[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
C[C@@H](C(=O)NCCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NCC[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
COc1ccc(CN(C)C(=O)NCCc2nc(C(C)C)no2)cc1O CC(C)c1noc(n1)[*:1] COc1ccc(cc1O)CN(C)C(=O)NCC[*:1]
COc1ccc(CN(C)C(=O)NCCc2nc(C(C)C)no2)cc1O CC(C)[*:1] COc1ccc(cc1O)CN(C)C(=O)NCCc1nc(no1)[*:1]
COc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2C)cc1Br O=[N+]([O-])[*:1] COc1ccc(cc1Br)C(=O)NC(=S)Nc1cccc(c1C)[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 O=[N+]([O-])[*:1] O=S(=O)(Nc1cccc2ccccc12)c1ccc(cc1)NS(=O)(=O)c1ccccc1[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 O=[N+]([O-])c1ccccc1[*:1] O=S(=O)(Nc1cccc2ccccc12)c1ccc(cc1)NS(=O)(=O)[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 c1ccc2c(cccc2c1)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CCCCn1nc(C(=O)NC2CCC(CC)CC2)ccc1=O CCC[*:1] CCC1CCC(CC1)NC(=O)c1ccc(=O)n(C[*:1])n1
CCCCn1nc(C(=O)NC2CCC(CC)CC2)ccc1=O CCCC[*:1] CCC1CCC(CC1)NC(=O)c1ccc(=O)n(n1)[*:1]
Cc1ccc(CNC(=O)N[C@H]2CCc3ccc(F)cc32)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])N[C@H]1CCc2ccc(F)cc21
O=C(Nc1cccc(C(=O)N2CCCc3cc(F)ccc32)c1)[C@H]1CCCO1 O=C(N[*:1])[C@H]1CCCO1 O=C(c1cccc(c1)[*:1])N1CCCc2cc(F)ccc21
C#Cc1cccc(NC(=O)c2ccc(-n3ccnc3)nc2)c1 c1cn(cn1)[*:1] C#Cc1cccc(c1)NC(=O)c1ccc(nc1)[*:1]
CC(C)(CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)N1CCOCC1 CC(C)(N1CCOCC1)[*:1] CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NC[*:1]
CC(C)(CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)[*:1]
Cn1cc(N2CC[C@H](NC(=O)c3ccncc3Cl)C2=O)cn1 Cn1cc(cn1)[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])c1ccncc1Cl
Cn1cc(N2CC[C@H](NC(=O)c3ccncc3Cl)C2=O)cn1 Clc1cnccc1[*:1] Cn1cc(cn1)N1CC[C@H](NC(=O)[*:1])C1=O
Cc1ccc(NC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)s1 Cc1ccc(s1)[*:1] O=C(NNC(=O)c1ccc(cc1)[N+](=O)[O-])N[*:1]
Cc1ccc(NC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)s1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)NNC(=O)c2ccc(cc2)[*:1])s1
C#CC[C@@H](NC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1)c1ccccc1 CC(C)c1nccn1[*:1] C#CC[C@@H](NC(=O)Nc1cccc(c1)C[*:1])c1ccccc1
C#CC[C@@H](NC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1)c1ccccc1 CC(C)[*:1] C#CC[C@@H](NC(=O)Nc1cccc(c1)Cn1ccnc1[*:1])c1ccccc1
C#CC[C@@H](NC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1)c1ccccc1 c1ccc(cc1)[*:1] C#CC[C@@H](NC(=O)Nc1cccc(c1)Cn1ccnc1C(C)C)[*:1]
C#CC[C@@H](NC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1)c1ccccc1 CC(C)c1nccn1C[*:1] C#CC[C@@H](NC(=O)Nc1cccc(c1)[*:1])c1ccccc1
C#CC[C@@H](NC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1)c1ccccc1 C#CC[*:1] CC(C)c1nccn1Cc1cccc(c1)NC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(NC2(C(=O)N3CCn4c[nH+]cc4C3)CCCCC2)cc1C Cc1ccc(cc1C)[*:1] O=C(N1CCn2c[nH+]cc2C1)C1(CCCCC1)N[*:1]
Cc1noc(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C Clc1ccc(cc1)[*:1] Cc1noc(C)c1CCC(=O)N[C@H](c1nccn1C)[*:1]
Cc1noc(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C Cn1ccnc1[*:1] Cc1noc(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
Cc1noc(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C Cc1noc(C)c1[*:1] Cn1ccnc1[C@H](NC(=O)CC[*:1])c1ccc(Cl)cc1
Cc1noc(C)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C Cc1noc(C)c1C[*:1] Cn1ccnc1[C@H](NC(=O)C[*:1])c1ccc(Cl)cc1
COc1ccccc1[N-]S(=O)(=O)CN1C(=O)c2ccccc2S1(=O)=O COc1ccccc1[*:1] O=C1c2ccccc2S(=O)(=O)N1CS(=O)(=O)[N-][*:1]
C[C@H](c1ccccc1Cl)N(C)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 Clc1ccccc1[*:1] C[C@H](N(C)C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
O=S1(=O)C[C@H](Cl)[C@H](NC(=S)NC2CCCCC2)C1 C1CCC(CC1)[*:1] O=S1(=O)C[C@H](Cl)[C@@H](C1)NC(=S)N[*:1]
C[C@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)C[*:1]
C[C@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[*:1])C(=O)NNC(=O)Cc1ccc(Cl)cc1
C[C@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cccc(F)c2OCC)C1 CCOC[*:1] CCOc1c(F)cccc1C(=O)N1CCC[C@H](C1)[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cccc(F)c2OCC)C1 CCO[*:1] CCOC[C@@H]1CCCN(C1)C(=O)c1cccc(F)c1[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cccc(F)c2OCC)C1 CCO[*:1] CCOc1c(F)cccc1C(=O)N1CCC[C@H](C1)C[*:1]
CNC(=O)CCC[NH+](C)Cc1ccsc1 CNC(=O)C[*:1] C[NH+](CC[*:1])Cc1ccsc1
CNC(=O)CCC[NH+](C)Cc1ccsc1 c1cc(cs1)[*:1] CNC(=O)CCC[NH+](C)C[*:1]
CNC(=O)CCC[NH+](C)Cc1ccsc1 CNC(=O)[*:1] C[NH+](CCC[*:1])Cc1ccsc1
COCCNC(=O)NCc1cc[nH+]c(N2CC[NH+](C)CC2)c1 COCC[*:1] C[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)N[*:1]
COCCNC(=O)NCc1cc[nH+]c(N2CC[NH+](C)CC2)c1 COC[*:1] C[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)NC[*:1]
Cc1sc(NC(=O)C[S@](=O)Cc2ccc(Cl)s2)c(C)c1C Clc1ccc(C[*:1])s1 Cc1sc(NC(=O)C[S@](=O)[*:1])c(C)c1C
Cc1sc(NC(=O)C[S@](=O)Cc2ccc(Cl)s2)c(C)c1C Clc1ccc(s1)[*:1] Cc1sc(NC(=O)C[S@](=O)C[*:1])c(C)c1C
O=C(Nc1ccc(CCO)cc1)[C@H]1Cc2[nH+]c[nH]c2CN1 OCC[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1Cc2[nH+]c[nH]c2CN1
Cn1ccnc1SCCNC(=O)c1nc(N2CCCC2)nc2c1CCCC2 Cn1ccnc1[*:1] O=C(NCCS[*:1])c1nc(nc2CCCCc21)N1CCCC1
Cn1ccnc1SCCNC(=O)c1nc(N2CCCC2)nc2c1CCCC2 Cn1ccnc1SC[*:1] O=C(NC[*:1])c1nc(nc2CCCCc21)N1CCCC1
Cn1ccnc1SCCNC(=O)c1nc(N2CCCC2)nc2c1CCCC2 Cn1ccnc1S[*:1] O=C(NCC[*:1])c1nc(nc2CCCCc21)N1CCCC1
Cn1ccnc1SCCNC(=O)c1nc(N2CCCC2)nc2c1CCCC2 Cn1ccnc1SCC[*:1] O=C(N[*:1])c1nc(nc2CCCCc21)N1CCCC1
Cn1ccnc1SCCNC(=O)c1nc(N2CCCC2)nc2c1CCCC2 C1CCN(C1)[*:1] Cn1ccnc1SCCNC(=O)c1nc(nc2CCCCc21)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](C)Sc3ccc(C(F)(F)F)cc32)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N2CC[C@@H](C)Sc3ccc(cc32)C(F)(F)F)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](C)Sc3ccc(C(F)(F)F)cc32)c1C FC(F)(F)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](C)Sc3ccc(cc32)[*:1])c1C
COc1ccccc1NC(=O)NC1(C(=O)N2CCCCCC2)CCCCC1 COc1ccccc1[*:1] O=C(NC1(CCCCC1)C(=O)N1CCCCCC1)N[*:1]
COc1ccccc1NC(=O)NC1(C(=O)N2CCCCCC2)CCCCC1 O=C(N1CCCCCC1)[*:1] COc1ccccc1NC(=O)NC1(CCCCC1)[*:1]
CC(C)N(C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C1CCCC1 CC(C)[*:1] C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N(C1CCCC1)[*:1]
CC(C)N(C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C1CCCC1 C1CCC(C1)[*:1] CC(C)N(C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)[*:1]
COc1ccc(Nc2nc(C(=O)NCC(N)=O)cs2)cc1OC NC(=O)C[*:1] COc1ccc(cc1OC)Nc1nc(cs1)C(=O)N[*:1]
COc1ccc(Nc2nc(C(=O)NCC(N)=O)cs2)cc1OC NC(=O)CNC(=O)[*:1] COc1ccc(cc1OC)Nc1nc(cs1)[*:1]
COc1ccc(Nc2nc(C(=O)NCC(N)=O)cs2)cc1OC NC(=O)[*:1] COc1ccc(cc1OC)Nc1nc(cs1)C(=O)NC[*:1]
O=C(Nc1ccc(F)cc1F)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1ccc(F)cc1F)N[C@H](c1ccccc1)[*:1]
O=C(Nc1ccc(F)cc1F)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1F)N[C@H](c1ccccn1)[*:1]
O=C(Nc1ccc(F)cc1F)N[C@H](c1ccccc1)c1ccccn1 Fc1ccc(c(F)c1)[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)N[*:1]
CC(C)C[C@@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)[*:1]
CC(C)C[C@@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C(=O)[O-] Clc1ccc(cc1)[*:1] CC(C)C[C@@H](NS(=O)(=O)C=C[*:1])C(=O)[O-]
CC(C)C[C@@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C(=O)[O-] CC(C)C[*:1] O=C([O-])[C@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)[*:1]
CC(C)C[C@@H](NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H](C[*:1])NS(=O)(=O)/C=C/c1ccc(Cl)cc1
Nn1c(CCc2ccccc2)nnc1SCc1ccccc1Cl c1ccc(cc1)C[*:1] Nn1c(C[*:1])nnc1SCc1ccccc1Cl
Nn1c(CCc2ccccc2)nnc1SCc1ccccc1Cl c1ccc(cc1)[*:1] Nn1c(CC[*:1])nnc1SCc1ccccc1Cl
Nn1c(CCc2ccccc2)nnc1SCc1ccccc1Cl Clc1ccccc1[*:1] Nn1c(CCc2ccccc2)nnc1SC[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H](C)c1cccc(Cl)c1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])c1cccc(Cl)c1
Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H](C)[*:1]
C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 CC(C)(C)[*:1] C[C@@H]1CCC[C@@](C#N)(C1)NC(=O)[C@@H]1CC[C@@H](C1)NC(=O)O[*:1]
C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 CC(C)(C)OC(=O)N[*:1] C[C@@H]1CCC[C@@](C#N)(C1)NC(=O)[C@@H]1CC[C@H](C1)[*:1]
O=C([O-])c1ccc2c(=O)n3cc(C(=O)c4cc(F)ccc4O)cc(Cl)c3nc2c1 Oc1ccc(F)cc1[*:1] O=C([O-])c1ccc2c(=O)n3cc(cc(Cl)c3nc2c1)C(=O)[*:1]
O=C([O-])c1ccc2c(=O)n3cc(C(=O)c4cc(F)ccc4O)cc(Cl)c3nc2c1 O=C([O-])[*:1] O=C(c1cc(Cl)c2nc3cc(ccc3c(=O)n2c1)[*:1])c1cc(F)ccc1O
CCC(=O)N1CCC([NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)CC1 Cc1ccc(nc1)[*:1] CCC(=O)N1CCC(CC1)[NH+]1CCC(CC1)C(=O)N[*:1]
C[C@H](Br)[C@@H](C)c1ncnc2c1CCCC2 C[C@H](Br)[*:1] C[C@@H](c1ncnc2CCCCc21)[*:1]
Cc1cc(-c2nnn(CC(=O)N(C)Cc3ccc(Cl)s3)n2)ccc1F Clc1ccc(s1)[*:1] Cc1cc(ccc1F)-c1nnn(CC(=O)N(C)C[*:1])n1
Cc1cc(-c2nnn(CC(=O)N(C)Cc3ccc(Cl)s3)n2)ccc1F Clc1ccc(C[*:1])s1 Cc1cc(ccc1F)-c1nnn(CC(=O)N(C)[*:1])n1
Cc1cc(-c2nnn(CC(=O)N(C)Cc3ccc(Cl)s3)n2)ccc1F Cc1cc(ccc1F)[*:1] CN(Cc1ccc(Cl)s1)C(=O)Cn1nnc(n1)[*:1]
COC(=O)N1CCC[C@@H](NC(=O)NC(C)(C)c2ccc(F)cc2Cl)C1 Fc1ccc(c(Cl)c1)[*:1] COC(=O)N1CCC[C@H](C1)NC(=O)NC(C)(C)[*:1]
C[C@@H](NC(=O)c1cccc(OCC(N)=O)c1)C1CCCCC1 NC(=O)CO[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])C1CCCCC1
C[C@@H](NC(=O)c1cccc(OCC(N)=O)c1)C1CCCCC1 NC(=O)C[*:1] C[C@@H](NC(=O)c1cccc(c1)O[*:1])C1CCCCC1
C[C@@H](NC(=O)c1cccc(OCC(N)=O)c1)C1CCCCC1 NC(=O)[*:1] C[C@@H](NC(=O)c1cccc(c1)OC[*:1])C1CCCCC1
C[C@@H](NC(=O)c1cccc(OCC(N)=O)c1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)c1cccc(c1)OCC(N)=O)[*:1]
Cc1cc(NC(=O)c2nc(C)sc2-c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)c1nc(C)sc1[*:1]
Cc1cc(NC(=O)c2nc(C)sc2-c2ccccc2)no1 Cc1cc(no1)[*:1] Cc1nc(C(=O)N[*:1])c(s1)-c1ccccc1
Cn1cc(CCN2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cn1 Cn1cc(cn1)CC[*:1] FC(F)(F)c1ccc(cc1)[C@@H]1CCCCN1[*:1]
Cn1cc(CCN2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cn1 Cn1cc(cn1)C[*:1] FC(F)(F)c1ccc(cc1)[C@@H]1CCCCN1C[*:1]
Cn1cc(CCN2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cn1 Cn1cc(cn1)[*:1] FC(F)(F)c1ccc(cc1)[C@@H]1CCCCN1CC[*:1]
Cn1cc(CCN2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cn1 FC(F)(F)[*:1] Cn1cc(cn1)CCN1CCCC[C@H]1c1ccc(cc1)[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)ccc1[*:1]
C[C@@H](NC(=O)CCS(C)(=O)=O)C1CCCCC1 CS(=O)(=O)C[*:1] C[C@@H](NC(=O)C[*:1])C1CCCCC1
C[C@@H](NC(=O)CCS(C)(=O)=O)C1CCCCC1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)CC[*:1])C1CCCCC1
C[C@H]1CN(c2ccc(CNc3nc4cc(C(F)(F)F)ccc4s3)c[nH+]2)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNc1nc2cc(ccc2s1)[*:1]
O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(CCCn1ccnn1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1
O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1
O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 c1cn(CCC[*:1])nn1 O=C(N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1)[*:1]
O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1
CCS(=O)(=O)NCC(=O)NC[C@@](C)(O)c1ccc(F)cc1 CCS(=O)(=O)NC[*:1] C[C@@](O)(CNC(=O)[*:1])c1ccc(F)cc1
CCS(=O)(=O)NCC(=O)NC[C@@](C)(O)c1ccc(F)cc1 CCS(=O)(=O)N[*:1] C[C@@](O)(CNC(=O)C[*:1])c1ccc(F)cc1
CCS(=O)(=O)NCC(=O)NC[C@@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCS(=O)(=O)NCC(=O)NC[C@@](C)(O)[*:1]
CC[NH2+]C[C@@H](C)C(=O)NCC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] CC[NH2+]C[C@@H](C)C(=O)NCC(C)(C)[*:1]
C[C@H](O)CCC(=O)NC[C@@H]1CCS(=O)(=O)C1 C[C@H](O)CC[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@H](O)CCC(=O)NC[C@@H]1CCS(=O)(=O)C1 C[C@H](O)[*:1] O=C(CC[*:1])NC[C@@H]1CCS(=O)(=O)C1
C[C@H](O)CCC(=O)NC[C@@H]1CCS(=O)(=O)C1 C[C@H](O)C[*:1] O=C(C[*:1])NC[C@@H]1CCS(=O)(=O)C1
CCC[C@@H]1[C@@H](C)CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 NC(=O)[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)/C=C/c1ccc(cc1)[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 CCC[*:1] C[C@H]1CCCN(C(=O)/C=C/c2ccc(cc2)C(N)=O)[C@@H]1[*:1]
COc1c(C(=O)N[C@H](CO)CC(C)(C)C)c(C)nn1C CC(C)(C)C[*:1] COc1c(C(=O)N[C@H](CO)[*:1])c(C)nn1C
COc1c(C(=O)N[C@H](CO)CC(C)(C)C)c(C)nn1C CC(C)(C)[*:1] COc1c(C(=O)N[C@H](CO)C[*:1])c(C)nn1C
C[C@H](Sc1nc([O-])c2cnn(-c3ccccc3)c2n1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@H](Sc1nc([O-])c2cnn(c2n1)[*:1])c1nnc(o1)-c1ccccc1
C[C@H](Sc1nc([O-])c2cnn(-c3ccccc3)c2n1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@H](Sc1nc([O-])c2cnn(-c3ccccc3)c2n1)c1nnc(o1)[*:1]
CN(C)S(=O)(=O)[NH+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] CN(C)S(=O)(=O)[NH+](C)CC(=O)Nc1ccc(Cl)c(c1)[*:1]
Cc1ccc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)Cn1ccc(=O)n(C)c1=O
CCC[C@@H](NC(=O)COc1ccccc1C#N)c1ccccc1 CCC[*:1] N#Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)[*:1]
CCC[C@@H](NC(=O)COc1ccccc1C#N)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](NC(=O)COc1ccccc1C#N)[*:1]
Cc1cc(=O)[nH]cc1NC(=O)CC(c1ccccc1)c1ccccc1 Cc1cc(=O)[nH]cc1[*:1] O=C(CC(c1ccccc1)c1ccccc1)N[*:1]
Cc1cc(=O)[nH]cc1NC(=O)CC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)[nH]cc1NC(=O)CC(c1ccccc1)[*:1]
CC[C@H](C)n1ncc(C(=O)Nc2nnc(C3CC3)s2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)Nc2nnc(s2)C2CC2)c1[*:1]
CC[C@H](C)n1ncc(C(=O)Nc2nnc(C3CC3)s2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)Nc2nnc(s2)[*:1])c1C1CC1
C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O c1cc2OCOc2cc1[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(Cl)cc1Cl
C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O Clc1ccc(c(Cl)c1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccc3OCOc3c2)C1=O)[*:1]
CCCNC(=O)C[NH+](CC(F)(F)F)C(C)C FC(F)(F)[*:1] CCCNC(=O)C[NH+](C[*:1])C(C)C
CCCNC(=O)C[NH+](CC(F)(F)F)C(C)C CCC[*:1] CC(C)[NH+](CC(=O)N[*:1])CC(F)(F)F
CCCNC(=O)C[NH+](CC(F)(F)F)C(C)C FC(F)(F)C[*:1] CCCNC(=O)C[NH+](C(C)C)[*:1]
CCCNC(=O)C[NH+](CC(F)(F)F)C(C)C CC(C)[*:1] CCCNC(=O)C[NH+](CC(F)(F)F)[*:1]
O=C(NCc1nc2ccccc2s1)c1ccccc1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1nc2ccccc2s1)c1ccccc1CC[*:1]
O=C(NCc1nc2ccccc2s1)c1ccccc1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCc1nc2ccccc2s1)c1ccccc1C[*:1]
O=C(NCc1nc2ccccc2s1)c1ccccc1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(NCc1nc2ccccc2s1)c1ccccc1[*:1]
O=C(NCc1nc2ccccc2s1)c1ccccc1CCc1ccccc1 c1ccc2sc(nc2c1)[*:1] O=C(NC[*:1])c1ccccc1CCc1ccccc1
CC(C)[NH2+]Cc1ccnc([C@@H]2CSCCO2)n1 CC(C)[NH2+]C[*:1] c1cc(nc(n1)[C@@H]1CSCCO1)[*:1]
CC(C)[NH2+]Cc1ccnc([C@@H]2CSCCO2)n1 CC(C)[*:1] c1cc(C[NH2+][*:1])nc(n1)[C@@H]1CSCCO1
COc1ccc(/C=C2\Sc3ccc(C(=O)NCc4cccs4)cc3N(C)C2=O)cc1OC COc1ccc(cc1OC)[*:1] CN1C(=O)C(=C[*:1])Sc2ccc(cc21)C(=O)NCc1cccs1
COc1ccc(/C=C2\Sc3ccc(C(=O)NCc4cccs4)cc3N(C)C2=O)cc1OC c1csc(c1)C[*:1] COc1ccc(/C=C2\Sc3ccc(cc3N(C)C2=O)C(=O)N[*:1])cc1OC
COc1ccc(/C=C2\Sc3ccc(C(=O)NCc4cccs4)cc3N(C)C2=O)cc1OC c1csc(c1)[*:1] COc1ccc(/C=C2\Sc3ccc(cc3N(C)C2=O)C(=O)NC[*:1])cc1OC
COc1ccc(/C=C2\Sc3ccc(C(=O)NCc4cccs4)cc3N(C)C2=O)cc1OC O=C(NCc1cccs1)[*:1] COc1ccc(/C=C2\Sc3ccc(cc3N(C)C2=O)[*:1])cc1OC
Cc1cnn(CCc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)c1 Cc1cnn(c1)CC[*:1] O=c1[nH]c(nc2scc(-c3ccc(Cl)cc3)c12)[*:1]
Cc1cnn(CCc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)c1 Clc1ccc(cc1)[*:1] Cc1cnn(c1)CCc1nc2scc(c2c(=O)[nH]1)[*:1]
Cc1cnn(CCc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)c1 Cc1cnn(c1)[*:1] O=c1[nH]c(CC[*:1])nc2scc(-c3ccc(Cl)cc3)c12
Cc1cnn(CCc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)c1 Cc1cnn(c1)C[*:1] O=c1[nH]c(C[*:1])nc2scc(-c3ccc(Cl)cc3)c12
COc1ccc(OCC(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)OCC(=O)Oc1cc(F)ccc1[*:1]
Cc1cc(N2CC[NH+](CCC(C)C)CC2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CC[NH+](CCC(C)C)CC1
Cc1cc(N2CC[NH+](CCC(C)C)CC2)ncc1[N+](=O)[O-] CC(C)C[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CC[NH+](CC1)C[*:1]
Cc1cc(N2CC[NH+](CCC(C)C)CC2)ncc1[N+](=O)[O-] CC(C)CC[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CC[NH+](CC1)[*:1]
Cc1cc(N2CC[NH+](CCC(C)C)CC2)ncc1[N+](=O)[O-] CC(C)[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CC[NH+](CC1)CC[*:1]
Cc1cnc(CNC(=O)NCc2cc(=O)[nH]c3ccccc23)s1 Cc1cnc(C[*:1])s1 O=C(NCc1cc(=O)[nH]c2ccccc12)N[*:1]
Cc1cnc(CNC(=O)NCc2cc(=O)[nH]c3ccccc23)s1 Cc1cnc(s1)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)NC[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc([O-])c3ccccc3n2)c(C)c1 COc1ccc(c(C)c1)[*:1] N#C/C(=C\c1cn(nc1[*:1])-c1ccccc1)c1nc([O-])c2ccccc2n1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc([O-])c3ccccc3n2)c(C)c1 c1ccc(cc1)[*:1] COc1ccc(c(C)c1)-c1nn(cc1/C=C(\C#N)c1nc([O-])c2ccccc2n1)[*:1]
c1ccc(CN2CNC3=NC4(CCCCC4)n4c(nc5ccccc54)N3C2)nc1 c1ccc(nc1)[*:1] c1ccc2c(c1)nc1N3CN(CNC3=NC3(CCCCC3)n12)C[*:1]
c1ccc(CN2CNC3=NC4(CCCCC4)n4c(nc5ccccc54)N3C2)nc1 c1ccc(C[*:1])nc1 c1ccc2c(c1)nc1N3CN(CNC3=NC3(CCCCC3)n12)[*:1]
CCc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CCc1ccc(cc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1])-c1cnc2ccccc2n1
CCc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc2nc(cnc2c1)[*:1] CCc1ccc(cc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1)[*:1]
C[C@H](NC(=O)CSc1ncnc2sccc12)c1ccc(-n2cncn2)cc1 c1nc(c2ccsc2n1)[*:1] C[C@H](NC(=O)CS[*:1])c1ccc(cc1)-n1cncn1
C[C@H](NC(=O)CSc1ncnc2sccc12)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)CSc1ncnc2sccc12)c1ccc(cc1)[*:1]
Brc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1 Brc1ccc(cc1)[*:1] C1CCC(CC1)c1nnc2sc(nn12)[*:1]
Brc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1 C1CCC(CC1)[*:1] Brc1ccc(cc1)-c1nn2c(nnc2s1)[*:1]
CC(C)CCNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] CC(C)C[*:1] O=[N+]([O-])c1c(ncnc1Nc1ccc(Br)cc1)NC[*:1]
CC(C)CCNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] Brc1ccc(cc1)[*:1] CC(C)CCNc1ncnc(N[*:1])c1[N+](=O)[O-]
CC(C)CCNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] CC(C)CC[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1ccc(Br)cc1
CC(C)CCNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] CC(C)[*:1] O=[N+]([O-])c1c(ncnc1Nc1ccc(Br)cc1)NCC[*:1]
CC(C)CCNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)CCNc1ncnc(Nc2ccc(Br)cc2)c1[*:1]
CC(C)CCNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] CC(C)CCN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccc(Br)cc1
CCOc1cccc2c1Oc1nc(-c3cccc(OC)c3)nc([O-])c1C2 COc1cccc(c1)[*:1] CCOc1cccc2Cc3c([O-])nc(nc3Oc21)[*:1]
CCOc1cccc2c1Oc1nc(-c3cccc(OC)c3)nc([O-])c1C2 CCO[*:1] COc1cccc(c1)-c1nc([O-])c2Cc3cccc(c3Oc2n1)[*:1]
CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1C#N CCO[*:1] N#Cc1ccccc1NC(=O)c1nn(cc1[*:1])-c1ccccc1
CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1C#N N#Cc1ccccc1[*:1] CCOc1cn(nc1C(=O)N[*:1])-c1ccccc1
CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1C#N c1ccc(cc1)[*:1] CCOc1cn(nc1C(=O)Nc1ccccc1C#N)[*:1]
NC(=O)[C@@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CCO1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)c1nc(-c2cccs2)n(n1)[*:1]
NC(=O)[C@@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CCO1 c1csc(c1)[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)c1nc(n(n1)-c1ccccc1)[*:1]
NC(=O)[C@@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CCO1 NC(=O)[*:1] O=C(c1nc(-c2cccs2)n(n1)-c1ccccc1)N1CCO[C@@H](C1)[*:1]
COc1cccc([C@@H](C)NC(=O)COC(=O)c2cccc(F)c2)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)COC(=O)c1cccc(F)c1)[*:1]
COc1cccc([C@@H](C)NC(=O)COC(=O)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)[C@@H](C)NC(=O)COC(=O)[*:1]
C[C@@H](NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1)[*:1]
CCCOc1ccc(/C=N/NC(=O)c2ccc(C)c(C)c2)cc1 CCC[*:1] Cc1ccc(cc1C)C(=O)N/N=C/c1ccc(cc1)O[*:1]
CCCOc1ccc(/C=N/NC(=O)c2ccc(C)c(C)c2)cc1 CCCO[*:1] Cc1ccc(cc1C)C(=O)N/N=C/c1ccc(cc1)[*:1]
CCC[NH2+][C@H]1CCC[C@@H]1CCN1CCOC[C@@H]1C CCC[*:1] C[C@H]1COCCN1CC[C@H]1CCC[C@@H]1[NH2+][*:1]
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc2ccccc2c1 CCOC(=O)[*:1] CC1OC(N)=C(C#N)[C@H](C=1[*:1])c1ccc2ccccc2c1
Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])C(=O)N1CCC[C@H](C1)C(F)(F)F
Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1-n1cnnn1 FC(F)(F)[*:1] Cc1cc(ccc1-n1cnnn1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1cc(CN2CCN(C(=O)CCCOc3ccccc3C)CC2)no1 Cc1ccccc1[*:1] Cc1cc(CN2CCN(CC2)C(=O)CCCO[*:1])no1
Cc1cc(CN2CCN(C(=O)CCCOc3ccccc3C)CC2)no1 Cc1cc(C[*:1])no1 Cc1ccccc1OCCCC(=O)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)CCCOc3ccccc3C)CC2)no1 Cc1cc(no1)[*:1] Cc1ccccc1OCCCC(=O)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)CCCOc3ccccc3C)CC2)no1 Cc1ccccc1O[*:1] Cc1cc(CN2CCN(CC2)C(=O)CCC[*:1])no1
Cc1cnc(NC(=O)/C=C/c2ccccc2F)s1 Cc1cnc(s1)[*:1] O=C(/C=C/c1ccccc1F)N[*:1]
C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)c1ccco1 C=CC[*:1] Cc1c(c(NC(=O)c2ccco2)n(c1C)[*:1])S(=O)(=O)c1ccc(F)cc1
C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)c1ccco1 c1coc(c1)[*:1] C=CCn1c(C)c(C)c(c1NC(=O)[*:1])S(=O)(=O)c1ccc(F)cc1
C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)c1ccco1 Fc1ccc(cc1)[*:1] C=CCn1c(C)c(C)c(c1NC(=O)c1ccco1)S(=O)(=O)[*:1]
C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 C=CCn1c(C)c(C)c(c1[*:1])S(=O)(=O)c1ccc(F)cc1
COc1ccc(-c2nc(SCC(=O)[O-])cc(-c3ccncc3)n2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-c1nc(cc(n1)[*:1])SCC(=O)[O-]
COc1ccc(-c2nc(SCC(=O)[O-])cc(-c3ccncc3)n2)cc1 COc1ccc(cc1)[*:1] O=C([O-])CSc1cc(nc(n1)[*:1])-c1ccncc1
COc1ccc(-c2nc(SCC(=O)[O-])cc(-c3ccncc3)n2)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1nc(cc(n1)-c1ccncc1)SC[*:1]
COc1ccc(-c2nc(SCC(=O)[O-])cc(-c3ccncc3)n2)cc1 O=C([O-])C[*:1] COc1ccc(cc1)-c1nc(cc(n1)-c1ccncc1)S[*:1]
COCC[NH2+]CC(=O)N1CCC(C[NH+]2CCCC2)CC1 COC[*:1] O=C(C[NH2+]C[*:1])N1CCC(CC1)C[NH+]1CCCC1
COCC[NH2+]CC(=O)N1CCC(C[NH+]2CCCC2)CC1 COCC[*:1] O=C(C[NH2+][*:1])N1CCC(CC1)C[NH+]1CCCC1
COCC[NH2+]CC(=O)N1CCC(C[NH+]2CCCC2)CC1 COCC[NH2+]C[*:1] O=C(N1CCC(CC1)C[NH+]1CCCC1)[*:1]
Cc1ccc2c(c1)=[NH+][C@H](SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[NH+]=2 O=[N+]([O-])[*:1] Cc1ccc2=[NH+][C@H]([NH+]=c2c1)SCC(=O)Nc1ccc(Cl)cc1[*:1]
CCC(=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 CCC(=O)N[*:1] c1cncc(c1)-c1ncc2c(CCC[C@H]2[*:1])n1
CCC(=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 c1cncc(c1)[*:1] CCC(=O)N[C@@H]1CCCc2nc(ncc21)[*:1]
O=C(CCOc1ccccc1Cl)NCCc1nnc2n1CCC2 Clc1ccccc1[*:1] O=C(CCO[*:1])NCCc1nnc2CCCn21
CC(C)Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)[nH]n1 C1CN(CCO1)C[*:1] CC(C)Cc1cc([nH]n1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)[nH]n1 CC(C)[*:1] O=C(Nc1ccc(cc1)CN1CCOCC1)c1cc(C[*:1])n[nH]1
CC(C)Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)[nH]n1 CC(C)C[*:1] O=C(Nc1ccc(cc1)CN1CCOCC1)c1cc(n[nH]1)[*:1]
CC(C)Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)[nH]n1 C1CN(CCO1)[*:1] CC(C)Cc1cc([nH]n1)C(=O)Nc1ccc(cc1)C[*:1]
CCOc1ncccc1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 c1ccc(cc1)[*:1] CCOc1ncccc1C(=O)Nc1nc(c(s1)C(C)=O)[*:1]
CCOc1ncccc1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 CC(=O)[*:1] CCOc1ncccc1C(=O)Nc1nc(-c2ccccc2)c(s1)[*:1]
CCOc1ncccc1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 CCO[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)c1cccnc1[*:1]
C[C@H](Oc1ccccc1NC(=O)NCCO)c1ccccc1 O=C(NCCO)N[*:1] C[C@H](Oc1ccccc1[*:1])c1ccccc1
C[C@H](Oc1ccccc1NC(=O)NCCO)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1NC(=O)NCCO)[*:1]
C[C@H](Oc1ccccc1NC(=O)NCCO)c1ccccc1 OCC[*:1] C[C@H](Oc1ccccc1NC(=O)N[*:1])c1ccccc1
C[C@H]([NH2+][C@@H]1C[C@@H]2CCCc3cccc1c32)c1cccs1 c1csc(c1)[*:1] C[C@H]([NH2+][C@@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
Cn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1-c1ccco1 c1coc(c1)[*:1] Cn1nc(cc1[*:1])CNC(=O)C1CCN(CC1)S(C)(=O)=O
Cc1csc([C@H](C)Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1 FC(F)(F)[*:1] Cc1csc(n1)[C@H](C)Nc1c(cc(cc1[N+](=O)[O-])[*:1])[N+](=O)[O-]
Cc1csc([C@H](C)Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1 Cc1csc(n1)[*:1] C[C@H](Nc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])[*:1]
Cc1csc([C@H](C)Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1csc(n1)[C@H](C)Nc1c(cc(cc1[*:1])C(F)(F)F)[N+](=O)[O-]
O=[N+]([O-])c1cnc(NCCCn2cc[nH+]c2)c(Br)c1 O=[N+]([O-])[*:1] Brc1cc(cnc1NCCCn1cc[nH+]c1)[*:1]
Cc1ccccc1-c1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])n(C)n1 O=[N+]([O-])[*:1] Cc1ccccc1-c1cc(NC(=O)[C@@H]2C[C@H]2[*:1])n(C)n1
Cc1ccccc1-c1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])n(C)n1 Cc1ccccc1[*:1] Cn1nc(cc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[*:1]
CCn1c(=O)n(-c2ccc(F)cc2)c2nc(-c3ccc(OC)c(Br)c3)nc(C(N)=O)c21 NC(=O)[*:1] CCn1c(=O)n(-c2ccc(F)cc2)c2nc(nc(c21)[*:1])-c1ccc(OC)c(Br)c1
CCn1c(=O)n(-c2ccc(F)cc2)c2nc(-c3ccc(OC)c(Br)c3)nc(C(N)=O)c21 COc1ccc(cc1Br)[*:1] CCn1c(=O)n(-c2ccc(F)cc2)c2nc(nc(C(N)=O)c21)[*:1]
CCn1c(=O)n(-c2ccc(F)cc2)c2nc(-c3ccc(OC)c(Br)c3)nc(C(N)=O)c21 Fc1ccc(cc1)[*:1] CCn1c(=O)n(c2nc(nc(C(N)=O)c21)-c1ccc(OC)c(Br)c1)[*:1]
Cc1ccc(NC(=O)[C@H]2[C@@H](c3ccccn3)n3ncnc3N[C@@H]2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H]1Nc2ncnn2[C@H](c2ccccn2)[C@@H]1C(=O)N[*:1]
Cc1ccc(NC(=O)[C@H]2[C@@H](c3ccccn3)n3ncnc3N[C@@H]2C)c(C)c1 c1ccc(nc1)[*:1] Cc1ccc(NC(=O)[C@H]2[C@@H](n3ncnc3N[C@@H]2C)[*:1])c(C)c1
Cc1ccc([C@@H](CNC(=O)C(=O)NCc2cccs2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)NCc1cccs1)[*:1]
Cc1ccc([C@@H](CNC(=O)C(=O)NCc2cccs2)[NH+](C)C)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)C(=O)N[*:1])[NH+](C)C
Cc1ccc([C@@H](CNC(=O)C(=O)NCc2cccs2)[NH+](C)C)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)C(=O)NC[*:1])[NH+](C)C
NC(=O)CS(=O)(=O)Cc1csc(-c2ccsc2)n1 NC(=O)[*:1] O=S(=O)(Cc1csc(n1)-c1ccsc1)C[*:1]
NC(=O)CS(=O)(=O)Cc1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] NC(=O)CS(=O)(=O)Cc1csc(n1)[*:1]
NC(=O)CS(=O)(=O)Cc1csc(-c2ccsc2)n1 NC(=O)C[*:1] O=S(=O)(Cc1csc(n1)-c1ccsc1)[*:1]
COCc1ccccc1NC(=O)c1cn[nH]c1C Cc1[nH]ncc1[*:1] COCc1ccccc1NC(=O)[*:1]
COCc1ccccc1NC(=O)c1cn[nH]c1C COC[*:1] Cc1[nH]ncc1C(=O)Nc1ccccc1[*:1]
CCOC(=O)/C(C#N)=C\Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CCOC(=O)/C(C#N)=C\Nc1ccc(cc1)[*:1]
CCOC(=O)/C(C#N)=C\Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CCOC(=O)/C(C#N)=C\Nc1ccc(cc1)O[*:1]
CCOC(=O)/C(C#N)=C\Nc1ccc(Oc2ccccc2)cc1 CCOC(=O)[*:1] N#CC(=CNc1ccc(cc1)Oc1ccccc1)[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)CCn2ccccc2=O)n1 O=c1ccccn1[*:1] Cc1cc(C)n(CC(=O)NNC(=O)CC[*:1])n1
Cc1cc(C)n(CC(=O)NNC(=O)CCn2ccccc2=O)n1 Cc1cc(C)n(n1)[*:1] O=C(CCn1ccccc1=O)NNC(=O)C[*:1]
Cn1nccc1C(=O)OC1CN(c2nc3ccccc3s2)C1 Cn1nccc1[*:1] O=C(OC1CN(C1)c1nc2ccccc2s1)[*:1]
CCOc1cccc(NC(=O)NCCn2c(C)n[nH]c2=S)c1 CCO[*:1] Cc1n[nH]c(=S)n1CCNC(=O)Nc1cccc(c1)[*:1]
CCOc1cccc(NC(=O)NCCn2c(C)n[nH]c2=S)c1 Cc1n[nH]c(=S)n1[*:1] CCOc1cccc(c1)NC(=O)NCC[*:1]
COc1ccc(NC(=O)NCc2cccn2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)NCc1cccn1C[*:1]
COc1ccc(NC(=O)NCc2cccn2Cc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1cccn1Cc1ccccc1)N[*:1]
COc1ccc(NC(=O)NCc2cccn2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)NC(=O)NCc1cccn1[*:1]
CCOc1ccc(F)c(C(=O)NCc2ccc(OC)c(Cl)c2)c1F CCO[*:1] COc1ccc(cc1Cl)CNC(=O)c1c(F)ccc(c1F)[*:1]
CS(=O)(=O)N1CCN(C(=O)CCCSc2ccccc2)CC1 c1ccc(cc1)S[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)CCC[*:1]
CS(=O)(=O)N1CCN(C(=O)CCCSc2ccccc2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)CCCS[*:1]
CCCCC1CCC(C(=O)NCc2ncn(C)n2)CC1 CCCC[*:1] Cn1cnc(CNC(=O)C2CCC(CC2)[*:1])n1
CCCCC1CCC(C(=O)NCc2ncn(C)n2)CC1 Cn1cnc(n1)[*:1] CCCCC1CCC(CC1)C(=O)NC[*:1]
CCCCC1CCC(C(=O)NCc2ncn(C)n2)CC1 CCC[*:1] Cn1cnc(CNC(=O)C2CCC(CC2)C[*:1])n1
[NH3+][C@H]1CCCCC[C@H]1C(=O)NOCc1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)NOC[*:1]
C[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2ccc3c(c2)CC(=O)N3)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ccc3NC(=O)Cc3c2)c1[*:1]
C[C@H](OC(=O)c1cccc(OCc2cccnc2)c1)[C@H]1CCOC1 c1cncc(c1)[*:1] C[C@H](OC(=O)c1cccc(c1)OC[*:1])[C@H]1CCOC1
C[C@H](OC(=O)c1cccc(OCc2cccnc2)c1)[C@H]1CCOC1 c1cncc(c1)CO[*:1] C[C@H](OC(=O)c1cccc(c1)[*:1])[C@H]1CCOC1
C[C@H](OC(=O)c1cccc(OCc2cccnc2)c1)[C@H]1CCOC1 c1cncc(c1)C[*:1] C[C@H](OC(=O)c1cccc(c1)O[*:1])[C@H]1CCOC1
CC(C)C[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccs1 c1csc(c1)[*:1] CC(C)C[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)[*:1]
CC(C)C[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccs1 CC(C)[*:1] C[C@@H]([NH2+][C@H](C[*:1])c1cccs1)c1ccc2[nH]c(=O)[nH]c2c1
CC(C)C[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccs1 CC(C)C[*:1] C[C@@H]([NH2+][C@@H](c1cccs1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
O=C(CNC(=O)N1CCc2ccccc2C1)N1CCN(CCO)CC1 OCC[*:1] O=C(CNC(=O)N1CCc2ccccc2C1)N1CCN(CC1)[*:1]
O=c1[nH]c(=O)n(CC2(CS)CCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=c1[nH]c(=O)n(cc1[*:1])CC1(CS)CCCC1
O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCCCC[C@@H]1c1ccncc1 Fc1ccccc1[*:1] O=C([C@@H]1C[C@H]1[*:1])N1CCCCC[C@@H]1c1ccncc1
O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCCCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCCCC[C@H]1[*:1]
CC[C@H](C)[C@@H]([NH2+]C)C(C)(C)[NH+]1CCCCCC1 CC[C@H](C)[*:1] C[NH2+][C@@H](C(C)(C)[NH+]1CCCCCC1)[*:1]
O=C1N=C(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)N=C2S[C@@H]3CCCCC3=C12 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1N=C(CN2CCN(CC2)C(=O)[*:1])N=C2S[C@@H]3CCCCC3=C12
O=C1N=C(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)N=C2S[C@@H]3CCCCC3=C12 O=[N+]([O-])[*:1] O=C1N=C(CN2CCN(CC2)C(=O)c2ccc(cc2)[*:1])N=C2S[C@@H]3CCCCC3=C12
CCc1cnc(CCNC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)s1 CCc1cnc(s1)[*:1] C[C@@H]1CN(CCO1)C1CCN(CC1)C(=O)NCC[*:1]
CCc1cnc(CCNC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)s1 C[C@@H]1CN(CCO1)[*:1] CCc1cnc(CCNC(=O)N2CCC(CC2)[*:1])s1
CCc1cnc(CCNC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)s1 CCc1cnc(C[*:1])s1 C[C@@H]1CN(CCO1)C1CCN(CC1)C(=O)NC[*:1]
CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 CC(C)(C)[C@@H]1CCCN(CC1)C(=O)Nc1ccnn1[*:1]
CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CC(C)(C)[C@@H]1CCCN(CC1)C(=O)Nc1ccnn1C[*:1]
CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 CC(C)(C)[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CCC[C@H](CC1)[*:1]
CN(C(=O)CCC1CC1)c1ccc(Cl)cn1 C1CC1C[*:1] CN(C(=O)C[*:1])c1ccc(Cl)cn1
CN(C(=O)CCC1CC1)c1ccc(Cl)cn1 C1CC1[*:1] CN(C(=O)CC[*:1])c1ccc(Cl)cn1
CN(C(=O)CCC1CC1)c1ccc(Cl)cn1 C1CC1CC[*:1] CN(C(=O)[*:1])c1ccc(Cl)cn1
CNC(=O)CN1CCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)CC1 CNC(=O)[*:1] Cc1cc(C(=O)N2CCN(CC2)C[*:1])c(C)n1C1CCCCC1
CNC(=O)CN1CCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)CC1 CNC(=O)C[*:1] Cc1cc(C(=O)N2CCN(CC2)[*:1])c(C)n1C1CCCCC1
CNC(=O)CN1CCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)CC1 C1CCC(CC1)[*:1] CNC(=O)CN1CCN(CC1)C(=O)c1cc(C)n(c1C)[*:1]
CCOC(=O)C1(O)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 CCOC(=O)[*:1] O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(O)(CC2)[*:1])s1
CCOC(=O)C1(O)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 O=[N+]([O-])[*:1] CCOC(=O)C1(O)CCN(CC1)Cc1ccc(s1)-c1ccccc1[*:1]
CCOC(=O)C1(O)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 O=[N+]([O-])c1ccccc1[*:1] CCOC(=O)C1(O)CCN(CC1)Cc1ccc(s1)[*:1]
O=C(c1cc2ccccc2c(=O)[nH]1)N(C1CCCCC1)C1CC1 C1CCC(CC1)[*:1] O=C(c1cc2ccccc2c(=O)[nH]1)N(C1CC1)[*:1]
O=C(c1cc2ccccc2c(=O)[nH]1)N(C1CCCCC1)C1CC1 C1CC1[*:1] O=C(c1cc2ccccc2c(=O)[nH]1)N(C1CCCCC1)[*:1]
CC[C@@H](C[C@H](O)COC(C)C)C(C)=O CC(C)O[*:1] CC[C@@H](C[C@H](O)C[*:1])C(C)=O
CC[C@@H](C[C@H](O)COC(C)C)C(C)=O CC(=O)[*:1] CC[C@@H](C[C@H](O)COC(C)C)[*:1]
CC[C@@H](C[C@H](O)COC(C)C)C(C)=O CC(C)[*:1] CC[C@@H](C[C@H](O)CO[*:1])C(C)=O
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CC1CCCCC1)CC2 c1ccc(nc1)[*:1] CC(C)CN1C(=O)N(C[*:1])C(=O)C12CC[NH+](CC2)CC1CCCCC1
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CC1CCCCC1)CC2 C1CCC(CC1)[*:1] CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CC2)C[*:1]
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CC1CCCCC1)CC2 c1ccc(C[*:1])nc1 CC(C)CN1C(=O)N(C(=O)C12CC[NH+](CC2)CC1CCCCC1)[*:1]
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CC1CCCCC1)CC2 CC(C)C[*:1] O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](CC2)CC2CCCCC2)N1[*:1]
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CC1CCCCC1)CC2 C1CCC(CC1)C[*:1] CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CC2)[*:1]
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CC1CCCCC1)CC2 CC(C)[*:1] O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](CC2)CC2CCCCC2)N1C[*:1]
CCc1ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])s1 O=C([O-])[*:1] CCc1ccc(s1)C(=O)NC[C@@H](CC(C)C)[*:1]
CCc1ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])s1 CC(C)C[*:1] CCc1ccc(s1)C(=O)NC[C@@H](C(=O)[O-])[*:1]
CCc1ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])s1 CC(C)[*:1] CCc1ccc(s1)C(=O)NC[C@@H](C[*:1])C(=O)[O-]
CC(C)c1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)cc1 CC(C)[*:1] O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] CC(C)c1ccc(cc1)NC(=O)CS(=O)(=O)[*:1]
CC(C)c1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)CS(=O)(=O)C[*:1]
C[C@@H](NC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1)[*:1]
C[C@@H](NC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc(Cl)s1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@@H]1CCO[C@H]1[*:1])c1ccc(Cl)s1
COCC[C@H](C)C(=O)Nc1ccncc1C COC[*:1] Cc1cnccc1NC(=O)[C@@H](C)C[*:1]
COCC[C@H](C)C(=O)Nc1ccncc1C COCC[*:1] Cc1cnccc1NC(=O)[C@@H](C)[*:1]
CSc1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] CSc1ccc(Cl)c(c1)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc([O-])nn1 FC(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1ccc([O-])nn1
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc([O-])nn1 FC(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)c1ccc([O-])nn1
CCc1nn(C)cc1CNC(=O)Nc1ccc(OC)c(OC(F)F)c1 CCc1nn(C)cc1[*:1] COc1ccc(cc1OC(F)F)NC(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)Nc1ccc(OC)c(OC(F)F)c1 FC(F)[*:1] CCc1nn(C)cc1CNC(=O)Nc1ccc(OC)c(c1)O[*:1]
CCc1nn(C)cc1CNC(=O)Nc1ccc(OC)c(OC(F)F)c1 FC(F)O[*:1] CCc1nn(C)cc1CNC(=O)Nc1ccc(OC)c(c1)[*:1]
CC[C@@H](C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1nccs1 c1csc(n1)[*:1] CC[C@@H](C)[C@@H]1C[NH2+][C@](C)(CN1C[*:1])C1CC1
CC[C@@H](C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1nccs1 CC[C@@H](C)[*:1] C[C@@]1(CN(Cc2nccs2)[C@@H](C[NH2+]1)[*:1])C1CC1
CC[C@@H](C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1nccs1 C1CC1[*:1] CC[C@@H](C)[C@@H]1C[NH2+][C@@](C)(CN1Cc1nccs1)[*:1]
CC[C@@H](C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1nccs1 c1csc(C[*:1])n1 CC[C@@H](C)[C@@H]1C[NH2+][C@](C)(CN1[*:1])C1CC1
CN1N=C(c2ccccc2)CC(c2nc3ccccc3n2C)=C1c1ccccc1 c1ccc(cc1)[*:1] CN1N=C(CC(=C1c1ccccc1)c1nc2ccccc2n1C)[*:1]
CN1N=C(c2ccccc2)CC(c2nc3ccccc3n2C)=C1c1ccccc1 c1ccc(cc1)[*:1] CN1N=C(CC(=C1[*:1])c1nc2ccccc2n1C)c1ccccc1
CCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 CCN(Cc1ccccc1)C(=O)c1ccccc1[*:1]
CCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)c1ccccc1NC(=O)c1ccccc1
CCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)[*:1]
CCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccccc1 c1ccc(cc1)C[*:1] CCN(C(=O)c1ccccc1NC(=O)c1ccccc1)[*:1]
Cc1ccc(CNC(=O)Cn2nc(-n3cccn3)ccc2=O)cc1 c1cnn(c1)[*:1] Cc1ccc(cc1)CNC(=O)Cn1nc(ccc1=O)[*:1]
Cc1ccc(CNC(=O)Cn2nc(-n3cccn3)ccc2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)-n1cccn1)NC[*:1]
Cc1ccc(CNC(=O)Cn2nc(-n3cccn3)ccc2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(Cn1nc(ccc1=O)-n1cccn1)N[*:1]
CCOC(=O)c1ccc(NC[C@H](O)C(C)(C)C)nc1 CC(C)(C)[C@@H](O)[*:1] CCOC(=O)c1ccc(nc1)NC[*:1]
CCOC(=O)c1ccc(NC[C@H](O)C(C)(C)C)nc1 CC(C)(C)[*:1] CCOC(=O)c1ccc(nc1)NC[C@H](O)[*:1]
CCOC(=O)c1ccc(NC[C@H](O)C(C)(C)C)nc1 CCOC(=O)[*:1] CC(C)(C)[C@@H](O)CNc1ccc(cn1)[*:1]
CCc1cc(N(C)CC[C@H](C)O)nc(-c2ccccn2)n1 C[C@H](O)C[*:1] CCc1cc(nc(n1)-c1ccccn1)N(C)C[*:1]
CCc1cc(N(C)CC[C@H](C)O)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CCc1cc(nc(n1)[*:1])N(C)CC[C@H](C)O
CCc1cc(N(C)CC[C@H](C)O)nc(-c2ccccn2)n1 C[C@H](O)[*:1] CCc1cc(nc(n1)-c1ccccn1)N(C)CC[*:1]
CCc1cc(N(C)CC[C@H](C)O)nc(-c2ccccn2)n1 C[C@H](O)CCN(C)[*:1] CCc1cc(nc(n1)-c1ccccn1)[*:1]
CN(CC[C@H]1CCCC[NH2+]1)C(=O)[C@@]1(C)CCCO1 C[C@]1(CCCO1)[*:1] CN(CC[C@H]1CCCC[NH2+]1)C(=O)[*:1]
CCCN(C)S(=O)(=O)/N=C(\[O-])c1cc(N2CCCC2=O)ccc1F CCC[*:1] CN(S(=O)(=O)/N=C(\[O-])c1cc(ccc1F)N1CCCC1=O)[*:1]
CCCN(C)S(=O)(=O)/N=C(\[O-])c1cc(N2CCCC2=O)ccc1F O=C1CCCN1[*:1] CCCN(C)S(=O)(=O)/N=C(\[O-])c1cc(ccc1F)[*:1]
COc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] COc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccc(cc21)[*:1]
COc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21 COc1ccccc1[*:1] O=C1Nc2ccc(cc2[C@@]1(O)CC(=O)[*:1])[N+](=O)[O-]
C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)c1ccc(CNC(=O)O[*:1])o1
C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)C1 CC(C)(C)OC(=O)N[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)c1ccc(C[*:1])o1
N#CCSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 N#CC[*:1] O=c1[nH]c(nc2sc3CCCCc3c12)S[*:1]
N#CCSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 N#CCS[*:1] O=c1[nH]c(nc2sc3CCCCc3c12)[*:1]
O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 c1cc2OCCOc2cc1[*:1] O=C(C=C[*:1])N1CCC[C@@H]1c1ccc2OCCCOc2c1
CC(C)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 CC(C)[*:1] CC(C)(C)NC(=O)C[NH+]1CCC(CC1)CNC(=O)N[*:1]
CC(C)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)NC(=O)NCC1CC[NH+](CC1)CC(=O)N[*:1]
CC(C)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 CC(C)(C)NC(=O)[*:1] CC(C)NC(=O)NCC1CC[NH+](CC1)C[*:1]
CC(C)NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 CC(C)NC(=O)N[*:1] CC(C)(C)NC(=O)C[NH+]1CCC(CC1)C[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Cl)s1 Fc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)c1ccc(Cl)s1
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[*:1]
CC(C)[C@@H](NC(=O)CSc1nc2ccccc2o1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(CSc1nc2ccccc2o1)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)[C@@H](NC(=O)CSc1nc2ccccc2o1)c1nc2ccccc2[nH]1 c1ccc2oc(nc2c1)[*:1] CC(C)[C@@H](NC(=O)CS[*:1])c1nc2ccccc2[nH]1
CC(C)[C@@H](NC(=O)CSc1nc2ccccc2o1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)[C@@H](NC(=O)CSc1nc2ccccc2o1)[*:1]
N#Cc1ccccc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 N#Cc1ccccc1[*:1] O=C(COc1cccc(c1)NC(=O)c1ccco1)N[*:1]
N#Cc1ccccc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] N#Cc1ccccc1NC(=O)COc1cccc(c1)NC(=O)[*:1]
N#Cc1ccccc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 N#Cc1ccccc1NC(=O)COc1cccc(c1)[*:1]
Cc1cc(Br)cnc1NC[C@@H](O)C1CC1 C1CC1[*:1] Cc1cc(Br)cnc1NC[C@@H](O)[*:1]
Cc1cc(Br)cnc1NC[C@@H](O)C1CC1 O[C@@H](C1CC1)[*:1] Cc1cc(Br)cnc1NC[*:1]
NC(=O)c1ccccc1Oc1ccccc1C[NH2+]C1CC1 NC(=O)[*:1] c1ccc(Oc2ccccc2[*:1])c(c1)C[NH2+]C1CC1
O=C(CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)N[*:1]
O=C(CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] O=C(CCNC(=O)[C@H]1C[C@H]1[*:1])N[C@@H]1CCS(=O)(=O)C1
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCCS(=O)(=O)C(C)(C)C)C2)c1 CC(C)(C)S(=O)(=O)CC[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCCS(=O)(=O)C(C)(C)C)C2)c1 Cc1cc(C)cc(c1)[*:1] CC(C)(C)S(=O)(=O)CCNC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCCS(=O)(=O)C(C)(C)C)C2)c1 CC(C)(C)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@@H](C1)C(=O)NCCS(=O)(=O)[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCCS(=O)(=O)C(C)(C)C)C2)c1 CC(C)(C)S(=O)(=O)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@@H](C1)C(=O)NCC[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCCS(=O)(=O)C(C)(C)C)C2)c1 CC(C)(C)S(=O)(=O)C[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
O=C(CCC(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(CC[*:1])N1CCC(CC1)c1ccc(F)cc1
O=C(CCC(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(CC1)[*:1])c1ccccc1
O=C(CCC(=O)N1CCC(c2ccc(F)cc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N1CCC(CC1)c1ccc(F)cc1
COc1ccccc1-c1nc(CSC[C@H](C)CO)cs1 C[C@H](CO)[*:1] COc1ccccc1-c1nc(cs1)CSC[*:1]
CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc21 COc1ccc(cc1Cl)[*:1] CCNC(=O)N1CCc2ccc(cc21)NS(=O)(=O)[*:1]
Cc1cc(C)c(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(N[*:1])c1ccc2nc(sc2c1)N1CCCCC1
Cc1cc(C)c(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)c(C)c1 C1CCN(CC1)[*:1] Cc1cc(C)c(NC(=O)c2ccc3nc(sc3c2)[*:1])c(C)c1
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cn1ncn(C)c1=S CC(C)[*:1] Cn1cnn(CN(Cc2ccc(cc2)[N+](=O)[O-])[*:1])c1=S
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cn1ncn(C)c1=S O=[N+]([O-])[*:1] CC(C)N(Cc1ccc(cc1)[*:1])Cn1ncn(C)c1=S
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cn1ncn(C)c1=S Cn1cnn(c1=S)[*:1] CC(C)N(Cc1ccc(cc1)[N+](=O)[O-])C[*:1]
Cc1csc([C@@H](C#N)C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 Cc1csc(n1)[*:1] N#C[C@@H](C(=O)COC(=O)C1(CCCC1)c1ccc(Cl)cc1)[*:1]
Cc1csc([C@@H](C#N)C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 Clc1ccc(cc1)[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)COC(=O)C1(CCCC1)[*:1]
C[C@@H](C(=O)N1CCC(c2nnsc2S(C)(=O)=O)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CS(=O)(=O)c1snnc1C1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)N1CCC(c2nnsc2S(C)(=O)=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCC(CC1)c1nnsc1S(C)(=O)=O)[*:1]
C[C@@H](C(=O)N1CCC(c2nnsc2S(C)(=O)=O)CC1)c1ccccc1 CS(=O)(=O)[*:1] C[C@@H](C(=O)N1CCC(CC1)c1nnsc1[*:1])c1ccccc1
Cc1ccc([C@@H](C)NC[C@@H](c2ccco2)N(C)C)cc1F c1coc(c1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC[C@@H](N(C)C)[*:1]
Cc1ccc([C@@H](C)NC[C@@H](c2ccco2)N(C)C)cc1F CN(C)[*:1] Cc1ccc(cc1F)[C@@H](C)NC[C@@H](c1ccco1)[*:1]
C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1c2ccccc2CC[C@H]1C c1ccc(nc1)[*:1] C[C@H]1CN(CC[C@H]1[NH2+][C@@H]1c2ccccc2CC[C@H]1C)C[*:1]
C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1c2ccccc2CC[C@H]1C c1ccc(C[*:1])nc1 C[C@H]1CN(CC[C@H]1[NH2+][C@@H]1c2ccccc2CC[C@H]1C)[*:1]
CCCCS[C@H](C)C(=O)N1CCCc2cccc(C)c21 CCCC[*:1] Cc1cccc2CCCN(C(=O)[C@@H](C)S[*:1])c12
CCCCS[C@H](C)C(=O)N1CCCc2cccc(C)c21 CCCCS[*:1] Cc1cccc2CCCN(C(=O)[C@@H](C)[*:1])c12
CCCCS[C@H](C)C(=O)N1CCCc2cccc(C)c21 CCC[*:1] Cc1cccc2CCCN(C(=O)[C@@H](C)SC[*:1])c12
Cc1ccccc1C[NH+]1CCN(C(=O)c2nn3cccnc3c2Cl)CC1 Cc1ccccc1[*:1] O=C(c1nn2cccnc2c1Cl)N1CC[NH+](CC1)C[*:1]
Cc1ccccc1C[NH+]1CCN(C(=O)c2nn3cccnc3c2Cl)CC1 Cc1ccccc1C[*:1] O=C(c1nn2cccnc2c1Cl)N1CC[NH+](CC1)[*:1]
Cc1c(C(=O)N[C@@H](C)C[C@@H](O)c2ccco2)cnn1C(C)C c1coc(c1)[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@@H](C)C[C@@H](O)[*:1]
Cc1c(C(=O)N[C@@H](C)C[C@@H](O)c2ccco2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H](C)C[C@@H](O)c1ccco1
Cc1c(C(=O)N[C@@H](C)C[C@@H](O)c2ccco2)cnn1C(C)C O[C@@H](c1ccco1)[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@@H](C)C[*:1]
CC(=O)Nc1cc(S(=O)(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1
CC(=O)Nc1cc(S(=O)(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)ccc1C c1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1C)S(=O)(=O)N1C[C@H]2CCCC[C@@]21[*:1]
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc2cc(Br)ccc2o1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccccc1[*:1])c1cc2cc(Br)ccc2o1
COC(=O)C1CCN(C(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] COC(=O)C1CCN(CC1)C(=O)C[C@@H](c1ccccc1)[*:1]
COC(=O)C1CCN(C(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)CC1 c1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)C[C@@H](c1ccccc1Cl)[*:1]
COC(=O)C1CCN(C(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)CC1 COC(=O)[*:1] O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)N1CCC(CC1)[*:1]
CS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 O=[N+]([O-])[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)C(=O)Nc1cccc(c1C)[*:1]
COCc1ccc(C[NH2+][C@@H](C)c2cnc(N3CCCCCCC3)nc2C)o1 COC[*:1] Cc1nc(ncc1[C@H](C)[NH2+]Cc1ccc(o1)[*:1])N1CCCCCCC1
COCc1ccc(C[NH2+][C@@H](C)c2cnc(N3CCCCCCC3)nc2C)o1 COCc1ccc(o1)[*:1] Cc1nc(ncc1[C@H](C)[NH2+]C[*:1])N1CCCCCCC1
COCc1ccc(C[NH2+][C@@H](C)c2cnc(N3CCCCCCC3)nc2C)o1 C1CCCN(CCC1)[*:1] COCc1ccc(C[NH2+][C@@H](C)c2cnc(nc2C)[*:1])o1
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccc2c(c1)OCO2 O=[N+]([O-])[*:1] O=C(NC(=S)Nc1cc(ccc1F)[*:1])c1ccc2OCOc2c1
CN(Cc1ccccc1)C(=O)c1cc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)ccc1Cl c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cc(ccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O
CN(Cc1ccccc1)C(=O)c1cc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)ccc1Cl c1ccc(cc1)C[*:1] CN(C(=O)c1cc(ccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)c2ccc(-n3cccc3)nc2)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)C[*:1])c1ccc(nc1)-n1cccc1
CC(=O)N(C)Cc1cccc(NC(=O)c2ccc(-n3cccc3)nc2)c1 CC(=O)N(C)C[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(nc1)-n1cccc1
CC(=O)N(C)Cc1cccc(NC(=O)c2ccc(-n3cccc3)nc2)c1 c1ccn(c1)[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)c1ccc(nc1)[*:1]
Cc1ccnc(N2CCC(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccnc(c1[*:1])N1CCC(CC1)c1ccc(F)cc1
Cc1ccnc(N2CCC(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1ccnc(c1[N+](=O)[O-])N1CCC(CC1)[*:1]
CC[C@@H](NC(=O)C[C@H]1C=CCC1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NC(=O)C[C@H]1C=CCC1)c1nc(cs1)[*:1]
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Nc2ncccn2)c1 c1ccc2sc(nc2c1)[*:1] C[C@@H](N(C)C(=O)c1cccc(c1)Nc1ncccn1)[*:1]
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Nc2ncccn2)c1 c1cnc(nc1)N[*:1] C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(c1)[*:1]
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Nc2ncccn2)c1 c1cnc(nc1)[*:1] C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(c1)N[*:1]
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] C[C@@H]1CC[C@H](CN1C(=O)c1ccc(nc1)[*:1])C(N)=O
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N2CCOCC2)nc1 NC(=O)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)c1ccc(nc1)N1CCOCC1)[*:1]
C[C@H]1C[C@H]1NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1NC(=O)Nc1cccc(c1)NC(=O)[*:1]
COCCOc1cccc(C(=O)Nc2cc(C)nn2C)c1 COCC[*:1] Cc1cc(NC(=O)c2cccc(c2)O[*:1])n(C)n1
COCCOc1cccc(C(=O)Nc2cc(C)nn2C)c1 COCCO[*:1] Cc1cc(NC(=O)c2cccc(c2)[*:1])n(C)n1
COCCOc1cccc(C(=O)Nc2cc(C)nn2C)c1 Cc1cc(n(C)n1)[*:1] COCCOc1cccc(c1)C(=O)N[*:1]
COCCOc1cccc(C(=O)Nc2cc(C)nn2C)c1 COC[*:1] Cc1cc(NC(=O)c2cccc(c2)OC[*:1])n(C)n1
Cn1ccnc1[C@@](O)(CCNc1ncc(Cl)cc1F)C(F)(F)F FC(F)(F)[*:1] Cn1ccnc1[C@@](O)(CCNc1ncc(Cl)cc1F)[*:1]
Cn1ccnc1[C@@](O)(CCNc1ncc(Cl)cc1F)C(F)(F)F Cn1ccnc1[*:1] O[C@@](CCNc1ncc(Cl)cc1F)(C(F)(F)F)[*:1]
CNC(=O)[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3n2C)C1 CNC(=O)[*:1] Cc1ccc2c(c1)cc(C(=O)N1CC[C@H](C1)[*:1])n2C
O=C(Cn1ccc2ccccc21)N1CCN(c2cc(Cl)ncn2)CC1 Clc1cc(ncn1)[*:1] O=C(Cn1ccc2ccccc21)N1CCN(CC1)[*:1]
CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCCO OCCC[*:1] CCC[C@@H]([NH3+])C(=O)N[C@@H](C)[*:1]
CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCCO OCC[*:1] CCC[C@@H]([NH3+])C(=O)N[C@@H](C)C[*:1]
CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCCO CCC[*:1] C[C@@H](CCCO)NC(=O)[C@H]([NH3+])[*:1]
CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1 NC(=O)[*:1] CC(=O)N1CCN([C@@H](C1)C(=O)N[C@@H](CC1CCCCC1)[*:1])S(=O)(=O)c1ccccc1
CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1 C1CCC(CC1)C[*:1] CC(=O)N1CCN([C@@H](C1)C(=O)N[C@@H](C(N)=O)[*:1])S(=O)(=O)c1ccccc1
CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1 c1ccc(cc1)[*:1] CC(=O)N1CCN([C@@H](C1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)S(=O)(=O)[*:1]
CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1 C1CCC(CC1)[*:1] CC(=O)N1CCN([C@@H](C1)C(=O)N[C@@H](C[*:1])C(N)=O)S(=O)(=O)c1ccccc1
CC(C)c1nc(N(C)Cc2cccs2)sc1C[NH2+]C1CC1 C1CC1[*:1] CC(C)c1nc(sc1C[NH2+][*:1])N(C)Cc1cccs1
CC(C)c1nc(N(C)Cc2cccs2)sc1C[NH2+]C1CC1 c1csc(c1)[*:1] CC(C)c1nc(sc1C[NH2+]C1CC1)N(C)C[*:1]
CC(C)c1nc(N(C)Cc2cccs2)sc1C[NH2+]C1CC1 c1csc(c1)C[*:1] CC(C)c1nc(sc1C[NH2+]C1CC1)N(C)[*:1]
CC(C)c1nc(N(C)Cc2cccs2)sc1C[NH2+]C1CC1 CC(C)[*:1] CN(Cc1cccs1)c1nc(c(C[NH2+]C2CC2)s1)[*:1]
CC(C)N(Cc1cccc(Cl)c1)CN1C(=O)N[C@@]2(CCSC2)C1=O Clc1cccc(c1)C[*:1] CC(C)N(CN1C(=O)N[C@@]2(CCSC2)C1=O)[*:1]
CC(C)N(Cc1cccc(Cl)c1)CN1C(=O)N[C@@]2(CCSC2)C1=O CC(C)[*:1] O=C1N[C@@]2(CCSC2)C(=O)N1CN(Cc1cccc(Cl)c1)[*:1]
CC(C)N(Cc1cccc(Cl)c1)CN1C(=O)N[C@@]2(CCSC2)C1=O Clc1cccc(c1)[*:1] CC(C)N(CN1C(=O)N[C@@]2(CCSC2)C1=O)C[*:1]
Cc1noc(Cl)c1CCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C Cc1noc(Cl)c1C[*:1] Cn1c(nc2cc(ccc21)NC(=O)C[*:1])C1CC1
Cc1noc(Cl)c1CCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] Cc1noc(Cl)c1CCC(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
Cc1noc(Cl)c1CCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C Cc1noc(Cl)c1[*:1] Cn1c(nc2cc(ccc21)NC(=O)CC[*:1])C1CC1
C[C@@H](C(=O)Nc1ccc(Cl)cn1)n1c(C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] C[C@@H](C(=O)Nc1ccc(Cl)cn1)n1c(nc2ccccc21)[*:1]
C[C@@H](C(=O)Nc1ccc(Cl)cn1)n1c(C(F)(F)F)nc2ccccc21 Clc1ccc(nc1)[*:1] C[C@@H](C(=O)N[*:1])n1c(nc2ccccc21)C(F)(F)F
CCC[C@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 CN(S(C)(=O)=O)[*:1] CCC[C@H](C)NC(=O)c1cccc(c1)[*:1]
CCC[C@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 CCC[C@H](C)[*:1] CN(c1cccc(c1)C(=O)N[*:1])S(C)(=O)=O
CCC[C@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 CCC[*:1] C[C@H](NC(=O)c1cccc(c1)N(C)S(C)(=O)=O)[*:1]
CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 Clc1ccc(c(Cl)c1)[*:1] CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(=NN12)[*:1]
CSC[C@H](C)NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 CSC[*:1] C[C@H](NC(=O)N[C@H]1CCN(C1)c1cccc(Cl)c1)[*:1]
CSC[C@H](C)NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CSC[C@H](C)NC(=O)N[C@H]1CCN(C1)[*:1]
CSC[C@H](C)NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 CSC[C@H](C)[*:1] O=C(N[C@H]1CCN(C1)c1cccc(Cl)c1)N[*:1]
CC(=O)N[C@H]1CCCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(=O)N[C@H]1CCCN(CC(=O)N[C@H](C)[*:1])C1
CC(=O)N[C@H]1CCCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2)C1 CC(=O)N[*:1] C[C@@H](NC(=O)CN1CCC[C@@H](C1)[*:1])c1ccc(Cl)cc1
Cc1ccc(NC(=O)CSCc2nc(CC(C)C)no2)c(Cl)c1 CC(C)C[*:1] Cc1ccc(NC(=O)CSCc2nc(no2)[*:1])c(Cl)c1
Cc1ccc(NC(=O)CSCc2nc(CC(C)C)no2)c(Cl)c1 CC(C)[*:1] Cc1ccc(NC(=O)CSCc2nc(C[*:1])no2)c(Cl)c1
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc2ccccc2n1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)OC(=O)c1ccc2ccccc2n1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc2ccccc2n1 c1ccc2nc(ccc2c1)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)OC(=O)[*:1])S(=O)(=O)N(C)C
COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n12 O=[N+]([O-])c1ccc([O-])c(c1)[*:1] COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1sc(=C[*:1])c(=O)n12
COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n12 O=[N+]([O-])[*:1] COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cc(ccc3[O-])[*:1])c(=O)n12
COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n12 COC(=O)[*:1] C[C@@]12N=c3s/c(=C\c4cc(ccc4[O-])[N+](=O)[O-])c(=O)n3[C@@H](c3ccccc3O1)[C@H]2[*:1]
COc1cc(OC)cc(-c2nc3c4ccccc4n(CC(=O)c4ccccc4)c(=O)n3n2)c1 O=C(C[*:1])c1ccccc1 COc1cc(cc(c1)-c1nc2c3ccccc3n(c(=O)n2n1)[*:1])OC
COc1cc(OC)cc(-c2nc3c4ccccc4n(CC(=O)c4ccccc4)c(=O)n3n2)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)-c1nc2c3ccccc3n(CC(=O)[*:1])c(=O)n2n1)OC
COc1cc(OC)cc(-c2nc3c4ccccc4n(CC(=O)c4ccccc4)c(=O)n3n2)c1 COc1cc(cc(c1)[*:1])OC O=C(Cn1c(=O)n2nc(nc2c2ccccc21)[*:1])c1ccccc1
COc1cc(OC)cc(-c2nc3c4ccccc4n(CC(=O)c4ccccc4)c(=O)n3n2)c1 O=C(c1ccccc1)[*:1] COc1cc(cc(c1)-c1nc2c3ccccc3n(C[*:1])c(=O)n2n1)OC
CC(C)c1nc(C[NH+](C)Cc2ncnn2C)cs1 CC(C)[*:1] Cn1ncnc1C[NH+](C)Cc1csc(n1)[*:1]
CC(C)c1nc(C[NH+](C)Cc2ncnn2C)cs1 Cn1ncnc1[*:1] CC(C)c1nc(cs1)C[NH+](C)C[*:1]
NC(=S)N1N=C(c2ccccc2)C[C@H]1c1cccs1 c1ccc(cc1)[*:1] NC(=S)N1N=C(C[C@H]1c1cccs1)[*:1]
NC(=S)N1N=C(c2ccccc2)C[C@H]1c1cccs1 c1csc(c1)[*:1] NC(=S)N1N=C(C[C@@H]1[*:1])c1ccccc1
CN(C)c1ncnc(Nc2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C)c1ncnc(Nc2ccccc2)c1[*:1]
CN(C)c1ncnc(Nc2ccccc2)c1[N+](=O)[O-] CN(C)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccccc1
CN(C)c1ncnc(Nc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CN(C)c1ncnc(N[*:1])c1[N+](=O)[O-]
Cc1nc(-c2cccc(C(=O)NCc3ccc[nH]3)c2)no1 c1c[nH]c(c1)C[*:1] Cc1nc(no1)-c1cccc(c1)C(=O)N[*:1]
Cc1nc(-c2cccc(C(=O)NCc3ccc[nH]3)c2)no1 Cc1nc(no1)[*:1] O=C(NCc1ccc[nH]1)c1cccc(c1)[*:1]
Cc1nc(-c2cccc(C(=O)NCc3ccc[nH]3)c2)no1 c1c[nH]c(c1)[*:1] Cc1nc(no1)-c1cccc(c1)C(=O)NC[*:1]
Cc1ccccc1CCNC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] Cc1ccccc1CCNC(=O)NC1CCN(CC1)C(=O)[*:1]
Cc1ccccc1CCNC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 Cc1ccccc1CC[*:1] O=C(NC1CCN(CC1)C(=O)C1CCCCC1)N[*:1]
Cc1ccccc1CCNC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 Cc1ccccc1C[*:1] O=C(NC[*:1])NC1CCN(CC1)C(=O)C1CCCCC1
Cc1ccccc1CCNC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 Cc1ccccc1[*:1] O=C(NCC[*:1])NC1CCN(CC1)C(=O)C1CCCCC1
COc1ccc(Nc2ncnc(NCc3ccc(F)cc3)c2N)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)Nc1ncnc(N[*:1])c1N
COc1ccc(Nc2ncnc(NCc3ccc(F)cc3)c2N)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)Nc1ncnc(NC[*:1])c1N
COc1ccc(Nc2ncnc(NCc3ccc(F)cc3)c2N)cc1 COc1ccc(cc1)[*:1] Nc1c(ncnc1N[*:1])NCc1ccc(F)cc1
O=C1[C@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2[C@H]3C[C@H](C[C@H]3[*:1])[C@H]2C(=O)N1Cc1ccccc1
O=C1[C@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C(=O)N1C[*:1]
O=C1[C@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C(=O)N1[*:1]
C[C@H](NC(=O)NC(C)(C)C)[C@H]1CCCN(C(=O)c2cnns2)C1 c1nnsc1[*:1] C[C@H](NC(=O)NC(C)(C)C)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@H](NC(=O)NC(C)(C)C)[C@H]1CCCN(C(=O)c2cnns2)C1 CC(C)(C)[*:1] C[C@H](NC(=O)N[*:1])[C@H]1CCCN(C1)C(=O)c1cnns1
Cc1cccc(OCCN(C)C(=O)Nc2ccc(C)cc2C)c1 Cc1cccc(c1)[*:1] Cc1ccc(NC(=O)N(C)CCO[*:1])c(C)c1
COc1ccc(CNC(=O)NCc2ccnc(-n3cccn3)c2)cc1O c1cnn(c1)[*:1] COc1ccc(cc1O)CNC(=O)NCc1ccnc(c1)[*:1]
CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc(F)c2)c1 CC[C@H](C)[*:1] O=C(NC(=S)Nc1cccc(F)c1)c1cccc(c1)O[*:1]
CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CC[C@H](C)Oc1cccc(c1)C(=O)NC(=S)N[*:1]
CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc(F)c2)c1 CC[C@H](C)O[*:1] O=C(NC(=S)Nc1cccc(F)c1)c1cccc(c1)[*:1]
CC[C@H](C)N1C(N)=[NH+]C[C@H]1c1cccc(COC)c1 CC[C@H](C)[*:1] COCc1cccc(c1)[C@@H]1C[NH+]=C(N)N1[*:1]
CC[C@H](C)N1C(N)=[NH+]C[C@H]1c1cccc(COC)c1 COC[*:1] CC[C@H](C)N1C(N)=[NH+]C[C@H]1c1cccc(c1)[*:1]
CC[NH2+][C@H]1CCN([C@@H](CC)c2cccs2)[C@@H](C)[C@H]1C c1csc(c1)[*:1] CC[NH2+][C@H]1CCN([C@@H](C)[C@H]1C)[C@@H](CC)[*:1]
CC(C)CCN(C(=O)[C@@H]1CC1(Cl)Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O CC(C)[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(CC[*:1])C(=O)[C@@H]1CC1(Cl)Cl
CC(C)CCN(C(=O)[C@@H]1CC1(Cl)Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CC(C)CCN(C(=O)[C@@H]1CC1(Cl)Cl)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CC(C)CCN(C(=O)[C@@H]1CC1(Cl)Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O CC(C)C[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(C[*:1])C(=O)[C@@H]1CC1(Cl)Cl
CC(C)CCN(C(=O)[C@@H]1CC1(Cl)Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O CC(C)CC[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(C(=O)[C@@H]1CC1(Cl)Cl)[*:1]
CC(C)CCN(C(=O)[C@@H]1CC1(Cl)Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CC(C)CCN(C(=O)[C@@H]1CC1(Cl)Cl)c1c(N)n(C[*:1])c(=O)[nH]c1=O
Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)sc1C Cc1nc(sc1C)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1[*:1]
Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)sc1C Clc1ccc(cc1)[*:1] Cc1nc(sc1C)N1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)C=C1CCSCC1 Fc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CSCN1C(=O)C=C1CCSCC1
C[NH+](C)C1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CC1 c1ccc(cc1)[*:1] C[NH+](C)C1CCN(CC1)C(=O)c1cc(nc2c1cnn2Cc1ccco1)[*:1]
C[NH+](C)C1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CC1 c1coc(c1)C[*:1] C[NH+](C)C1CCN(CC1)C(=O)c1cc(nc2c1cnn2[*:1])-c1ccccc1
C[NH+](C)C1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CC1 c1coc(c1)[*:1] C[NH+](C)C1CCN(CC1)C(=O)c1cc(nc2c1cnn2C[*:1])-c1ccccc1
CCc1nsc(N2CCN(Cc3ccc(C)s3)CC2)n1 Cc1ccc(s1)[*:1] CCc1nsc(n1)N1CCN(CC1)C[*:1]
CC(=O)[C@@H](C)Sc1nnnn1-c1ccc(C)cc1 CC(=O)[C@@H](C)S[*:1] Cc1ccc(cc1)-n1nnnc1[*:1]
CC(=O)[C@@H](C)Sc1nnnn1-c1ccc(C)cc1 CC(=O)[*:1] Cc1ccc(cc1)-n1nnnc1S[C@H](C)[*:1]
CC(=O)[C@@H](C)Sc1nnnn1-c1ccc(C)cc1 CC(=O)[C@@H](C)[*:1] Cc1ccc(cc1)-n1nnnc1S[*:1]
CCc1cnc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)s1 Cc1ccc(cc1)C[*:1] CCc1cnc(CN(C)C(=O)[C@H]2CC(=O)N(C2)[*:1])s1
CCc1cnc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)s1 Cc1ccc(cc1)[*:1] CCc1cnc(CN(C)C(=O)[C@H]2CC(=O)N(C2)C[*:1])s1
CCc1cnc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)s1 CCc1cnc(s1)[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)N(C)C[*:1]
CCc1cnc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)s1 CCc1cnc(C[*:1])s1 Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)N(C)[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1N c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CSc1nnc(C[*:1])n1N
Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1N c1ccc(cc1)C[*:1] Cc1cccc(C)c1NC(=O)CSc1nnc(n1N)[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1N Cc1cccc(C)c1[*:1] Nn1c(Cc2ccccc2)nnc1SCC(=O)N[*:1]
Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](c1ccccc1)N1CCOCC1 Cc1n[nH]c(C)c1[*:1] O=C(CC[*:1])NC[C@@H](c1ccccc1)N1CCOCC1
Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](c1ccccc1)N1CCOCC1 Cc1n[nH]c(C)c1C[*:1] O=C(C[*:1])NC[C@@H](c1ccccc1)N1CCOCC1
Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](c1ccccc1)[*:1]
O=C(C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccc2c(c1)OCO2 Fc1cccc(Cl)c1[*:1] O=C(C[C@@]1(O)C(=O)N(C[*:1])c2ccccc21)c1ccc2OCOc2c1
O=C(C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccc2c(c1)OCO2 Fc1cccc(Cl)c1C[*:1] O=C(C[C@@]1(O)C(=O)N(c2ccccc21)[*:1])c1ccc2OCOc2c1
O=C(C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1N(Cc2c(F)cccc2Cl)c2ccccc2[C@@]1(O)CC(=O)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 Clc1cnn(c1)[*:1] Cc1cc(ccc1NC(=O)c1ccc(C[*:1])o1)[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 Clc1cnn(c1)C[*:1] Cc1cc(ccc1NC(=O)c1ccc(o1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1)[*:1]
O=c1c(=O)n(-c2cccc(Cl)c2)ccn1Cc1ccc2c(c1)OCO2 Clc1cccc(c1)[*:1] O=c1c(=O)n(ccn1Cc1ccc2OCOc2c1)[*:1]
CCO/C(=N/C(=O)c1ccccc1F)NCc1ccccc1 Fc1ccccc1[*:1] CCO/C(=N/C(=O)[*:1])NCc1ccccc1
CCO/C(=N/C(=O)c1ccccc1F)NCc1ccccc1 c1ccc(cc1)C[*:1] CCO/C(=N/C(=O)c1ccccc1F)N[*:1]
CCO/C(=N/C(=O)c1ccccc1F)NCc1ccccc1 c1ccc(cc1)[*:1] CCO/C(=N/C(=O)c1ccccc1F)NC[*:1]
C#Cc1cccc(NC(=O)C[NH+](C)CC(=O)NCc2cccs2)c1 c1csc(c1)[*:1] C#Cc1cccc(c1)NC(=O)C[NH+](C)CC(=O)NC[*:1]
C#Cc1cccc(NC(=O)C[NH+](C)CC(=O)NCc2cccs2)c1 c1csc(c1)C[*:1] C#Cc1cccc(c1)NC(=O)C[NH+](C)CC(=O)N[*:1]
C#Cc1cccc(NC(=O)C[NH+](C)CC(=O)NCc2cccs2)c1 C#Cc1cccc(c1)[*:1] C[NH+](CC(=O)NCc1cccs1)CC(=O)N[*:1]
COC(=O)c1ccc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc1 COC(=O)[*:1] O=C(Cn1c(nc2ccccc21)-c1cncs1)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc1 c1ncc(s1)[*:1] COC(=O)c1ccc(cc1)NC(=O)Cn1c(nc2ccccc21)[*:1]
Brc1cc(CNCCc2nnc3n2CCC3)cs1 Brc1cc(cs1)[*:1] C1Cc2nnc(CCNC[*:1])n2C1
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccn1)C(C)C c1ccc(nc1)[*:1] COc1ccc(cc1C(=O)N[C@H](C(C)C)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccn1)C(C)C O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)N[C@H](c1ccccn1)C(C)C)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccn1)C(C)C CC(C)[*:1] COc1ccc(cc1C(=O)N[C@H](c1ccccn1)[*:1])[N+](=O)[O-]
COC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1 COC(=O)[*:1] COc1ccc(-c2nnc(o2)SC[*:1])c(c1)OC
COC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1 COC(=O)C[*:1] COc1ccc(-c2nnc(o2)S[*:1])c(c1)OC
COC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1 COC(=O)CS[*:1] COc1ccc(-c2nnc(o2)[*:1])c(c1)OC
C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C1CC1 C[C@@H](N[*:1])C1CC1 CS(=O)(=O)c1ccc(c(c1)S(C)(=O)=O)[*:1]
C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C1CC1 CS(=O)(=O)[*:1] C[C@@H](Nc1ccc(cc1[*:1])S(C)(=O)=O)C1CC1
C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C1CC1 C[C@@H](C1CC1)[*:1] CS(=O)(=O)c1ccc(N[*:1])c(c1)S(C)(=O)=O
C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C1CC1 CS(=O)(=O)[*:1] C[C@@H](Nc1ccc(cc1S(C)(=O)=O)[*:1])C1CC1
C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C1CC1 C1CC1[*:1] C[C@@H](Nc1ccc(cc1S(C)(=O)=O)S(C)(=O)=O)[*:1]
CNC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1 Fc1cccc(c1)[*:1] CNC(=O)N1CCc2c(C1)c(COC[*:1])nn2C
CNC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1 Fc1cccc(c1)C[*:1] CNC(=O)N1CCc2c(C1)c(CO[*:1])nn2C
CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1 O=C(Nc1cccc(F)c1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1 Fc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)c1nnc(s1)C(=O)N[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1 CC(=O)[*:1] O=C(Nc1cccc(F)c1)c1nnc(s1)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)c1nnc(s1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccc([N+](=O)[O-])c(C(=O)OC2CCC2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)C(=O)OC1CCC1)[*:1]
Cc1ccc([N+](=O)[O-])c(C(=O)OC2CCC2)c1 C1CC(C1)[*:1] Cc1ccc(c(c1)C(=O)O[*:1])[N+](=O)[O-]
O=C(NCc1ccccn1)N1CCC[C@H]1c1ccc2c(c1)OCO2 c1ccc(C[*:1])nc1 O=C(N[*:1])N1CCC[C@H]1c1ccc2OCOc2c1
O=C(NCc1ccccn1)N1CCC[C@H]1c1ccc2c(c1)OCO2 c1ccc(nc1)[*:1] O=C(NC[*:1])N1CCC[C@H]1c1ccc2OCOc2c1
COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2ncoc2-c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccc(C)cc1S(=O)(=O)N1CCN(CC1)C(=O)c1ncoc1[*:1]
COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2ncoc2-c2ccc(F)cc2)CC1 COc1ccc(C)cc1[*:1] O=C(c1ncoc1-c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(C[NH+]1CCC(COc2ccc(Cl)cc2)CC1)Nc1ccnn1C1CCCC1 Clc1ccc(cc1)O[*:1] O=C(C[NH+]1CCC(CC1)C[*:1])Nc1ccnn1C1CCCC1
O=C(C[NH+]1CCC(COc2ccc(Cl)cc2)CC1)Nc1ccnn1C1CCCC1 C1CCC(C1)[*:1] O=C(C[NH+]1CCC(CC1)COc1ccc(Cl)cc1)Nc1ccnn1[*:1]
O=C(C[NH+]1CCC(COc2ccc(Cl)cc2)CC1)Nc1ccnn1C1CCCC1 Clc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)CO[*:1])Nc1ccnn1C1CCCC1
O=C(C[NH+]1CCC(COc2ccc(Cl)cc2)CC1)Nc1ccnn1C1CCCC1 Clc1ccc(cc1)OC[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1ccnn1C1CCCC1
NS(=O)(=O)Cc1ccc(F)c(F)c1 NS(=O)(=O)[*:1] Fc1ccc(cc1F)C[*:1]
Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 Clc1ccccc1[*:1] Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)N[*:1])c(=O)[nH]c12
COc1cccc(-c2c(C(=O)[O-])nnn2-c2ccc(OC(F)(F)F)cc2)c1 COc1cccc(c1)[*:1] O=C([O-])c1nnn(-c2ccc(cc2)OC(F)(F)F)c1[*:1]
COc1cccc(-c2c(C(=O)[O-])nnn2-c2ccc(OC(F)(F)F)cc2)c1 FC(F)(F)[*:1] COc1cccc(c1)-c1c(nnn1-c1ccc(cc1)O[*:1])C(=O)[O-]
COc1cccc(-c2c(C(=O)[O-])nnn2-c2ccc(OC(F)(F)F)cc2)c1 FC(F)(F)O[*:1] COc1cccc(c1)-c1c(nnn1-c1ccc(cc1)[*:1])C(=O)[O-]
COc1cccc(-c2c(C(=O)[O-])nnn2-c2ccc(OC(F)(F)F)cc2)c1 O=C([O-])[*:1] COc1cccc(c1)-c1c(nnn1-c1ccc(cc1)OC(F)(F)F)[*:1]
CCOC(=O)c1sc(-c2cscc2C)c(CC)c1N Cc1cscc1[*:1] CCOC(=O)c1sc(c(CC)c1N)[*:1]
CCOC(=O)c1sc(-c2cscc2C)c(CC)c1N CCOC(=O)[*:1] CCc1c(sc(c1N)[*:1])-c1cscc1C
CCCc1nnc2sc(/C=C/c3ccco3)nn12 c1coc(c1)[*:1] CCCc1nnc2sc(C=C[*:1])nn12
CCCc1nnc2sc(/C=C/c3ccco3)nn12 CCC[*:1] C(=C/c1nn2c(nnc2s1)[*:1])\c1ccco1
CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cccc(OC)c21 CC(=O)[*:1] CCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cccc(OC)c21
Cc1nc(CNC(=O)N(Cc2cccs2)C2CC2)no1 Cc1nc(no1)[*:1] O=C(NC[*:1])N(Cc1cccs1)C1CC1
Cc1nc(CNC(=O)N(Cc2cccs2)C2CC2)no1 c1csc(c1)[*:1] Cc1nc(CNC(=O)N(C[*:1])C2CC2)no1
Cc1nc(CNC(=O)N(Cc2cccs2)C2CC2)no1 C1CC1[*:1] Cc1nc(CNC(=O)N(Cc2cccs2)[*:1])no1
Cc1nc(CNC(=O)N(Cc2cccs2)C2CC2)no1 c1csc(c1)C[*:1] Cc1nc(CNC(=O)N(C2CC2)[*:1])no1
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)c(C)c1 Cc1ccc(cc1)[*:1] COc1ccc(C(=O)N2CCN(C(=O)C2)[*:1])c(C)c1
Cc1cccc(NC(=O)NCc2ccc(Br)s2)c1C Brc1ccc(s1)[*:1] Cc1cccc(NC(=O)NC[*:1])c1C
Cn1c(=O)c2cc(S(=O)(=O)NC[C@@H](O)COc3ccccc3)ccc2n(C)c1=O c1ccc(cc1)OC[*:1] Cn1c(=O)c2cc(ccc2n(C)c1=O)S(=O)(=O)NC[C@@H](O)[*:1]
Cn1c(=O)c2cc(S(=O)(=O)NC[C@@H](O)COc3ccccc3)ccc2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2cc(ccc2n(C)c1=O)S(=O)(=O)NC[C@@H](O)CO[*:1]
Cn1c(=O)c2cc(S(=O)(=O)NC[C@@H](O)COc3ccccc3)ccc2n(C)c1=O c1ccc(cc1)O[*:1] Cn1c(=O)c2cc(ccc2n(C)c1=O)S(=O)(=O)NC[C@@H](O)C[*:1]
CCCNC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)CC1 CCC[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N1CCC(CC1)C(=O)N[*:1]
CCCNC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)CC1 CCCNC(=O)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N1CCC(CC1)[*:1]
CCCNC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)CC1 Cc1ccc(cc1F)[*:1] CCCNC(=O)C1CCN(CC1)C(=O)N[C@@H](C)[*:1]
CSCc1ccnc(N2CCN(CC(F)F)CC2)c1 FC(F)C[*:1] CSCc1ccnc(c1)N1CCN(CC1)[*:1]
CSCc1ccnc(N2CCN(CC(F)F)CC2)c1 FC(F)[*:1] CSCc1ccnc(c1)N1CCN(CC1)C[*:1]
CSCc1ccnc(N2CCN(CC(F)F)CC2)c1 CSC[*:1] FC(F)CN1CCN(CC1)c1cc(ccn1)[*:1]
C[C@H](Sc1ccccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H](Sc1ccccc1F)C(=O)Nc1nc(cs1)[*:1]
C[C@H](Sc1ccccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 Fc1ccccc1[*:1] C[C@H](S[*:1])C(=O)Nc1nc(cs1)-c1cccc(c1)[N+](=O)[O-]
C[C@H](Sc1ccccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 Fc1ccccc1S[*:1] C[C@H](C(=O)Nc1nc(cs1)-c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@H](Sc1ccccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=[N+]([O-])[*:1] C[C@H](Sc1ccccc1F)C(=O)Nc1nc(cs1)-c1cccc(c1)[*:1]
C[C@@H](CNC(=O)NC[C@@H]1CCCO1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NC[C@@H]1CCCO1)N[*:1]
C[C@@H](CNC(=O)NC[C@@H]1CCCO1)Nc1ccccc1 C1CO[C@@H](C1)C[*:1] C[C@@H](CNC(=O)N[*:1])Nc1ccccc1
C[C@@H](CNC(=O)NC[C@@H]1CCCO1)Nc1ccccc1 C1CO[C@@H](C1)[*:1] C[C@@H](CNC(=O)NC[*:1])Nc1ccccc1
Cn1c(NC(=O)CCC2CCCC2)cc(=O)n(C)c1=O C1CCC(C1)[*:1] Cn1c(cc(=O)n(C)c1=O)NC(=O)CC[*:1]
Cn1c(NC(=O)CCC2CCCC2)cc(=O)n(C)c1=O C1CCC(C1)C[*:1] Cn1c(cc(=O)n(C)c1=O)NC(=O)C[*:1]
Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)CC2)c1 Cc1ccc(C)c(c1)[*:1] CC1(C)[C@@H](C(=O)[O-])[C@H]1C(=O)N1CCN(CC1)[*:1]
O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 c1ccc(cc1)C[*:1] O=C(CCNC(=O)[*:1])Nc1ccc(Br)c(c1)C(F)(F)F
O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(C[*:1])NCCC(=O)Nc1ccc(Br)c(c1)C(F)(F)F
O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(Br)c(c1)[*:1]
Cc1nnc(CN(C)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)n1C Cc1nnc(n1C)[*:1] CN(C[*:1])C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1
Cc1nnc(CN(C)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)n1C C1CC(C1)[*:1] Cc1nnc(CN(C)C(=O)N[C@@H](c2ccc(Cl)cc2)[*:1])n1C
Cc1nnc(CN(C)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)n1C Clc1ccc(cc1)[*:1] Cc1nnc(CN(C)C(=O)N[C@@H](C2CCC2)[*:1])n1C
Cc1nnc(CN(C)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)n1C Cc1nnc(C[*:1])n1C CN(C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)[*:1]
O=C(COCc1cc(-c2ccc(F)cc2)on1)NC1CCCC1 C1CCC(C1)[*:1] O=C(COCc1cc(on1)-c1ccc(F)cc1)N[*:1]
O=C(COCc1cc(-c2ccc(F)cc2)on1)NC1CCCC1 Fc1ccc(cc1)[*:1] O=C(COCc1cc(on1)[*:1])NC1CCCC1
CS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCCC1 C1CCC(C1)[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)N[*:1]
Cc1cccc(CNC(=O)CN2CCc3c(F)ccc(F)c3C2)c1 Cc1cccc(c1)[*:1] O=C(CN1CCc2c(F)ccc(F)c2C1)NC[*:1]
Cc1cccc(CNC(=O)CN2CCc3c(F)ccc(F)c3C2)c1 Cc1cccc(c1)C[*:1] O=C(CN1CCc2c(F)ccc(F)c2C1)N[*:1]
COCc1cccc(NCc2cccc(C#N)c2)c1 COC[*:1] N#Cc1cccc(c1)CNc1cccc(c1)[*:1]
Cc1nc(NCCN2CCCC2=O)cc(C2C[NH2+]C2)n1 O=C1CCCN1[*:1] Cc1nc(cc(n1)C1C[NH2+]C1)NCC[*:1]
N#CC[C@@H](O)c1ccccc1C1CC1 N#CC[*:1] O[C@@H](c1ccccc1C1CC1)[*:1]
N#CC[C@@H](O)c1ccccc1C1CC1 C1CC1[*:1] N#CC[C@@H](O)c1ccccc1[*:1]
CC(C)c1sc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)c1sc(nc1[*:1])NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12
CC(C)c1sc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)nc1-c1ccccc1 CC(C)[*:1] O=C(Nc1nc(-c2ccccc2)c(s1)[*:1])C1=CC=CN2CCS(=O)(=O)N=C12
COc1ccc(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)cc1F C1CN(CCO1)[*:1] COc1ccc(cc1F)CN1CC[C@@H]([C@H](O)C1)[*:1]
COCC[C@@H](C)/C([O-])=N/S(C)(=O)=O COCC[*:1] C[C@@H](/C([O-])=N/S(C)(=O)=O)[*:1]
COCC[C@@H](C)/C([O-])=N/S(C)(=O)=O COC[*:1] C[C@H](C[*:1])/C([O-])=N/S(C)(=O)=O
O=C(NCc1ccccc1OCc1ccccc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] c1ccc(cc1)[*:1] O=C(NCc1ccccc1OC[*:1])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]
O=C(NCc1ccccc1OCc1ccccc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(NCc1ccccc1OCc1ccccc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
O=C(NCc1ccccc1OCc1ccccc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] c1ccc(cc1)C[*:1] O=C(NCc1ccccc1O[*:1])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]
O=C(NCc1ccccc1OCc1ccccc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] c1ccc(cc1)CO[*:1] O=C(NCc1ccccc1[*:1])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccncc1Cl CC(C)NC(=O)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1ccncc1Cl
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccncc1Cl CC(C)[*:1] O=C(Nc1cc(Cl)ccc1C(=O)N[*:1])c1ccncc1Cl
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccncc1Cl Clc1cnccc1[*:1] CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)[*:1]
CCCOc1ccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)c(C)c1 CCCO[*:1] Cc1cc(ccc1NC(=O)c1ccc(cc1)S(N)(=O)=O)[*:1]
CCCOc1ccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)c(C)c1 NS(=O)(=O)[*:1] CCCOc1ccc(NC(=O)c2ccc(cc2)[*:1])c(C)c1
CCCOc1ccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)c(C)c1 CCC[*:1] Cc1cc(ccc1NC(=O)c1ccc(cc1)S(N)(=O)=O)O[*:1]
CCc1ccc(C(=O)NNC(=O)NCc2nc3ccccc3s2)cc1 CCc1ccc(cc1)[*:1] O=C(NCc1nc2ccccc2s1)NNC(=O)[*:1]
CCc1ccc([C@H](COC)[NH2+][C@H](C)c2cccnc2)o1 COC[*:1] CCc1ccc(o1)[C@H]([NH2+][C@H](C)c1cccnc1)[*:1]
CCc1ccc([C@H](COC)[NH2+][C@H](C)c2cccnc2)o1 c1cncc(c1)[*:1] CCc1ccc(o1)[C@H](COC)[NH2+][C@H](C)[*:1]
C[C@@H]1C[C@H](c2ccccc2F)N(CCc2nc3ccccc3c(=O)[nH]2)C1 Fc1ccccc1[*:1] C[C@@H]1C[C@H](N(CCc2nc3ccccc3c(=O)[nH]2)C1)[*:1]
CC[C@@H](CSC)N(C)C(=O)Nc1ccn(-c2ccccc2)n1 CSC[*:1] CC[C@@H](N(C)C(=O)Nc1ccn(n1)-c1ccccc1)[*:1]
CC[C@@H](CSC)N(C)C(=O)Nc1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@@H](CSC)N(C)C(=O)Nc1ccn(n1)[*:1]
COCC[NH2+]C[C@](C)(O)[C@H]1CCOC2(CCC2)C1 COCC[*:1] C[C@](O)(C[NH2+][*:1])[C@H]1CCOC2(CCC2)C1
COCC[NH2+]C[C@](C)(O)[C@H]1CCOC2(CCC2)C1 COC[*:1] C[C@](O)(C[NH2+]C[*:1])[C@H]1CCOC2(CCC2)C1
CCC[NH2+][C@H](c1cc(C)sc1C)C1C(C)(C)C1(C)C CCC[*:1] Cc1cc(c(C)s1)[C@@H]([NH2+][*:1])C1C(C)(C)C1(C)C
[NH2+]=C1c2ccccc2CN1NCc1ccco1 c1coc(c1)[*:1] [NH2+]=C1c2ccccc2CN1NC[*:1]
Cc1ncc([C@@H](C)[NH2+]CCCCC(F)(F)F)s1 FC(F)(F)C[*:1] Cc1ncc(s1)[C@@H](C)[NH2+]CCC[*:1]
Cc1ncc([C@@H](C)[NH2+]CCCCC(F)(F)F)s1 FC(F)(F)[*:1] Cc1ncc(s1)[C@@H](C)[NH2+]CCCC[*:1]
O=C(/C=C/NNC(=O)c1ccccc1O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NN/C=C/C(=O)[*:1])c1ccccc1O
O=C(/C=C/NNC(=O)c1ccccc1O)c1ccccc1 Oc1ccccc1[*:1] O=C(/C=C/NNC(=O)[*:1])c1ccccc1
Cc1ccc2c(c1)c(=O)c(C(=O)N(C)Cc1ccco1)nn2C c1coc(c1)C[*:1] Cc1ccc2c(c1)c(=O)c(nn2C)C(=O)N(C)[*:1]
Cc1ccc2c(c1)c(=O)c(C(=O)N(C)Cc1ccco1)nn2C c1coc(c1)[*:1] Cc1ccc2c(c1)c(=O)c(nn2C)C(=O)N(C)C[*:1]
Fc1ccccc1-c1noc(N2CCN(c3ccccc3F)CC2)n1 Fc1ccccc1[*:1] Fc1ccccc1-c1noc(n1)N1CCN(CC1)[*:1]
Fc1ccccc1-c1noc(N2CCN(c3ccccc3F)CC2)n1 Fc1ccccc1[*:1] Fc1ccccc1N1CCN(CC1)c1nc(no1)[*:1]
Cc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)CN2C[C@H](c4ccccc4)CC2=O)O3)nc1 Cc1ccc(nc1)[*:1] O=C(CN1C[C@@H](CC1=O)c1ccccc1)NC[C@H]1Cc2cc(ccc2O1)[*:1]
Cc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)CN2C[C@H](c4ccccc4)CC2=O)O3)nc1 c1ccc(cc1)[*:1] Cc1ccc(nc1)-c1ccc2O[C@@H](CNC(=O)CN3C[C@H](CC3=O)[*:1])Cc2c1
CCC(=O)Nc1cccc(NC(=O)c2sccc2NC(=O)c2ccncc2)c1 O=C(N[*:1])c1ccncc1 CCC(=O)Nc1cccc(c1)NC(=O)c1sccc1[*:1]
CCC(=O)Nc1cccc(NC(=O)c2sccc2NC(=O)c2ccncc2)c1 c1cc(ccn1)[*:1] CCC(=O)Nc1cccc(c1)NC(=O)c1sccc1NC(=O)[*:1]
CCC(=O)Nc1cccc(NC(=O)c2sccc2NC(=O)c2ccncc2)c1 CCC(=O)N[*:1] O=C(Nc1ccsc1C(=O)Nc1cccc(c1)[*:1])c1ccncc1
Cc1ccc(NC(=O)N2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c(Cl)c1 Fc1ccc(cc1)[*:1] Cc1ccc(NC(=O)N2CCCN(CC2)c2ccc(=O)n(n2)[*:1])c(Cl)c1
Cc1ccc(NC(=O)N2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])N1CCCN(CC1)c1ccc(=O)n(n1)-c1ccc(F)cc1
C[NH2+][C@H](c1cc(F)c(F)c(F)c1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] C[NH2+][C@H](c1cc(F)c(F)c(F)c1)[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3c(c2=O)S[C@H](C)C3)cc1 c1cc2OCCOc2cc1[*:1] COc1ccc(cc1)-n1c(nc2C[C@@H](C)Sc2c1=O)SCC(=O)N[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3c(c2=O)S[C@H](C)C3)cc1 COc1ccc(cc1)[*:1] C[C@@H]1Cc2nc(SCC(=O)Nc3ccc4OCCOc4c3)n(c(=O)c2S1)[*:1]
CCc1ccc(C(=O)N(C)CC2CC([NH3+])C2)o1 [NH3+]C1CC(C1)[*:1] CCc1ccc(o1)C(=O)N(C)C[*:1]
Cc1ccc(C)c(OCc2cc(C(=O)NC[C@@H](C)O)no2)c1 C[C@@H](O)[*:1] Cc1ccc(C)c(c1)OCc1cc(no1)C(=O)NC[*:1]
Cc1ccc(C)c(OCc2cc(C(=O)NC[C@@H](C)O)no2)c1 C[C@@H](O)C[*:1] Cc1ccc(C)c(c1)OCc1cc(no1)C(=O)N[*:1]
Cc1ccc(C)c(OCc2cc(C(=O)NC[C@@H](C)O)no2)c1 C[C@@H](O)CNC(=O)[*:1] Cc1ccc(C)c(c1)OCc1cc(no1)[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)COC)CC3)[nH+]c2)no1 CCc1nc(no1)[*:1] COCC(=O)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)COC)CC3)[nH+]c2)no1 COC[*:1] CCc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
CCc1cccc(CC)c1NC(=O)NCc1ccc(-n2ccnc2)c(F)c1 c1cn(cn1)[*:1] CCc1cccc(CC)c1NC(=O)NCc1ccc(c(F)c1)[*:1]
C[NH2+][C@H](COC(C)C)CSc1ccccc1C CC(C)[*:1] C[NH2+][C@H](CO[*:1])CSc1ccccc1C
C[NH2+][C@H](COC(C)C)CSc1ccccc1C CC(C)OC[*:1] C[NH2+][C@H](CSc1ccccc1C)[*:1]
C[NH2+][C@H](COC(C)C)CSc1ccccc1C CC(C)O[*:1] C[NH2+][C@@H](CSc1ccccc1C)C[*:1]
COc1ccccc1N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 COc1ccccc1[*:1] Clc1ccc(cc1)-c1noc(CN2CCN(CC2)[*:1])n1
COc1ccccc1N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 Clc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)Cc1nc(no1)[*:1]
CCOCCC(=O)NCC(C)(C)C(N)=O NC(=O)[*:1] CCOCCC(=O)NCC(C)(C)[*:1]
CCOCCC(=O)NCC(C)(C)C(N)=O CCO[*:1] CC(C)(CNC(=O)CC[*:1])C(N)=O
CCOCCC(=O)NCC(C)(C)C(N)=O CCOCC[*:1] CC(C)(CNC(=O)[*:1])C(N)=O
CCOCCC(=O)NCC(C)(C)C(N)=O CCOC[*:1] CC(C)(CNC(=O)C[*:1])C(N)=O
COC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 COC(=O)CS[*:1] Clc1ccc(cc1)-n1c(nnc1[*:1])-c1cccs1
COC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 COC(=O)C[*:1] Clc1ccc(cc1)-n1c(nnc1-c1cccs1)S[*:1]
COC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 c1csc(c1)[*:1] COC(=O)CSc1nnc(n1-c1ccc(Cl)cc1)[*:1]
COC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 COC(=O)[*:1] Clc1ccc(cc1)-n1c(nnc1-c1cccs1)SC[*:1]
COC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)CSc1nnc(-c2cccs2)n1[*:1]
CCC[C@@](C)(CO)NC(=O)Nc1ccc(Sc2ncccn2)cc1C CCC[*:1] Cc1cc(ccc1NC(=O)N[C@@](C)(CO)[*:1])Sc1ncccn1
CCC[C@@](C)(CO)NC(=O)Nc1ccc(Sc2ncccn2)cc1C c1cnc(nc1)S[*:1] CCC[C@@](C)(CO)NC(=O)Nc1ccc(cc1C)[*:1]
CCC[C@@](C)(CO)NC(=O)Nc1ccc(Sc2ncccn2)cc1C c1cnc(nc1)[*:1] CCC[C@@](C)(CO)NC(=O)Nc1ccc(cc1C)S[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(o1)[*:1]
CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 CCO[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 CCOc1cccc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 O=S(=O)(N1CCCCC1)[*:1] CCOc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccccc1S(=O)(=O)/N=C(\[O-])CCOc1cccc(C)c1C Cc1cccc(c1C)[*:1] Cc1ccccc1S(=O)(=O)/N=C(\[O-])CCO[*:1]
Cc1ccccc1S(=O)(=O)/N=C(\[O-])CCOc1cccc(C)c1C Cc1ccccc1[*:1] Cc1cccc(OCC/C([O-])=N/S(=O)(=O)[*:1])c1C
CC1(C)CN(C(=O)NCc2cccc(-n3cccn3)c2)CCS1 c1cnn(c1)[*:1] CC1(C)CN(CCS1)C(=O)NCc1cccc(c1)[*:1]
O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cncs1 Fc1ccc(cc1)C[*:1] O=C1N[C@@](C(=O)N1Cc1cncs1)(C1CC[NH2+]CC1)[*:1]
O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cncs1 Fc1ccc(cc1)[*:1] O=C1N[C@@](C[*:1])(C(=O)N1Cc1cncs1)C1CC[NH2+]CC1
O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cncs1 c1ncc(s1)[*:1] O=C1N[C@@](Cc2ccc(F)cc2)(C(=O)N1C[*:1])C1CC[NH2+]CC1
O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cncs1 c1ncc(C[*:1])s1 O=C1N[C@@](Cc2ccc(F)cc2)(C(=O)N1[*:1])C1CC[NH2+]CC1
O=C(NCC(c1ccccc1)c1ccccc1)c1cn(C[C@H]2CCCO2)nn1 c1ccc(cc1)[*:1] O=C(NCC(c1ccccc1)[*:1])c1cn(C[C@H]2CCCO2)nn1
O=C1c2ccccc2N[C@H](c2cc3ccccc3[nH]c2=O)N1Cc1ccco1 c1coc(c1)C[*:1] O=C1c2ccccc2N[C@H](c2cc3ccccc3[nH]c2=O)N1[*:1]
O=C1c2ccccc2N[C@H](c2cc3ccccc3[nH]c2=O)N1Cc1ccco1 c1coc(c1)[*:1] O=C1c2ccccc2N[C@H](c2cc3ccccc3[nH]c2=O)N1C[*:1]
CCC(=O)[C@H](Cc1cccc(C)c1)n1nnc2ccccc21 CCC(=O)[*:1] Cc1cccc(c1)C[C@H](n1nnc2ccccc21)[*:1]
CCC(=O)[C@H](Cc1cccc(C)c1)n1nnc2ccccc21 Cc1cccc(c1)[*:1] CCC(=O)[C@H](C[*:1])n1nnc2ccccc21
Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1O2 CC(C)(C)CC(=O)N[*:1] Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)[*:1]
Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1O2 CC(C)(C)C[*:1] Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)NC(=O)[*:1]
Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1O2 CC(C)(C)[*:1] Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)NC(=O)C[*:1]
COC(=O)NCCCC(=O)N(C)Cc1nccs1 COC(=O)NC[*:1] CN(Cc1nccs1)C(=O)CC[*:1]
COC(=O)NCCCC(=O)N(C)Cc1nccs1 c1csc(C[*:1])n1 COC(=O)NCCCC(=O)N(C)[*:1]
COC(=O)NCCCC(=O)N(C)Cc1nccs1 COC(=O)N[*:1] CN(Cc1nccs1)C(=O)CCC[*:1]
COC(=O)NCCCC(=O)N(C)Cc1nccs1 c1csc(n1)[*:1] COC(=O)NCCCC(=O)N(C)C[*:1]
COC(=O)N1CCC[C@H](C(=O)NC[C@@](C)(O)c2ccsc2)C1 c1cc(cs1)[*:1] COC(=O)N1CCC[C@@H](C1)C(=O)NC[C@@](C)(O)[*:1]
O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(Nc1nc(cs1)-c1cccnc1)c1ccccc1[*:1]
O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1N1CCCC1=O c1cncc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1N1CCCC1=O
O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(-c2ccccc2F)o1 Fc1ccccc1[*:1] O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(o1)[*:1]
O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(-c2ccccc2F)o1 C1CO[C@@H](C1)[*:1] O=C(NNC(=S)NC[*:1])c1ccc(o1)-c1ccccc1F
CC(C)n1cc[nH+]c1C1CCN(C(=O)c2cc[nH]n2)CC1 CC(C)[*:1] O=C(c1cc[nH]n1)N1CCC(CC1)c1[nH+]ccn1[*:1]
CC(C)n1cc[nH+]c1C1CCN(C(=O)c2cc[nH]n2)CC1 c1cc(n[nH]1)[*:1] CC(C)n1cc[nH+]c1C1CCN(CC1)C(=O)[*:1]
O=C1C[C@H](C(=O)Nc2cccc(CC(F)(F)F)c2)c2ccccc2N1 FC(F)(F)[*:1] O=C1C[C@H](C(=O)Nc2cccc(c2)C[*:1])c2ccccc2N1
O=C1C[C@H](C(=O)Nc2cccc(CC(F)(F)F)c2)c2ccccc2N1 FC(F)(F)C[*:1] O=C1C[C@H](C(=O)Nc2cccc(c2)[*:1])c2ccccc2N1
CC(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 c1coc(c1)[*:1] CC(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
CC(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 CC(C)NC(=O)[*:1] O=C(c1ccco1)N1Cc2ccccc2C[C@H]1[*:1]
CC(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 CC(C)[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccc([N+](=O)[O-])cc1 C1CCC(C1)[*:1] O=C(CCc1cccc(c1)O[*:1])Nc1ccc(cc1)[N+](=O)[O-]
O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(CCc1cccc(c1)OC1CCCC1)Nc1ccc(cc1)[*:1]
O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccc([N+](=O)[O-])cc1 C1CCC(C1)O[*:1] O=C(CCc1cccc(c1)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
CC(C)C[C@H](C[NH+](C)C)n1c(=S)[nH]c2cnccc21 CC(C)[*:1] C[NH+](C)C[C@@H](C[*:1])n1c(=S)[nH]c2cnccc21
CC(C)C[C@H](C[NH+](C)C)n1c(=S)[nH]c2cnccc21 CC(C)C[*:1] C[NH+](C)C[C@H](n1c(=S)[nH]c2cnccc21)[*:1]
CCc1c(N)nnn1-c1ccc(Br)cc1C(F)(F)F FC(F)(F)[*:1] CCc1c(N)nnn1-c1ccc(Br)cc1[*:1]
CCCN[C@H](Cc1ccc(C(C)(C)C)cc1)c1[nH]cc[nH+]1 CCCN[*:1] CC(C)(C)c1ccc(cc1)C[C@H](c1[nH]cc[nH+]1)[*:1]
CCCN[C@H](Cc1ccc(C(C)(C)C)cc1)c1[nH]cc[nH+]1 CC(C)(C)[*:1] CCCN[C@H](Cc1ccc(cc1)[*:1])c1[nH]cc[nH+]1
CCCN[C@H](Cc1ccc(C(C)(C)C)cc1)c1[nH]cc[nH+]1 CCC[*:1] CC(C)(C)c1ccc(cc1)C[C@@H](N[*:1])c1[nH]cc[nH+]1
Cc1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)Nc1ccc2nnc(n2n1)[*:1]
CC[C@@H](C(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2C)CC1)c1ccccc1 C[C@H]1C[C@@H]1C(=O)N[*:1] CC[C@@H](C(=O)N1CCC(CC1)[*:1])c1ccccc1
CC[C@@H](C(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2C)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCC(CC1)NC(=O)[C@H]1C[C@@H]1C)[*:1]
COc1ccccc1-c1csc(NC(=O)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] COc1ccccc1-c1csc(n1)NC(=O)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C3[NH+]=c4ccccc4=[NH+]3)CC2)cc1 CN(C)S(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)C1[NH+]=c2ccccc2=[NH+]1
CCN(CC)C(=O)c1sc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C#N)c1C CCN(CC)C(=O)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1sc(c(C)c1C#N)[*:1]
CCN(CC)C(=O)c1sc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C#N)c1C O=[N+]([O-])[*:1] CCN(CC)C(=O)c1sc(NC(=O)c2ccc(OC)c(c2)[*:1])c(C#N)c1C
NCC#Cc1cnc(NC(=O)C[C@H]2CCCCO2)s1 C1CC[C@@H](OC1)[*:1] NCC#Cc1cnc(NC(=O)C[*:1])s1
NCC#Cc1cnc(NC(=O)C[C@H]2CCCCO2)s1 NCC#C[*:1] O=C(C[C@H]1CCCCO1)Nc1ncc(s1)[*:1]
CCN(CC)C(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O CCN(CC)C(=O)C[*:1] CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2[*:1]
CCN(CC)C(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O CC(C)[*:1] CCN(CC)C(=O)CN1c2ccc(cc2-c2ccccc2S1(=O)=O)[*:1]
CCN(CC)C(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O CCN(CC)C(=O)[*:1] CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C[*:1]
Cc1ccccc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 Cc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)[*:1])NCc1ccccc1
Cc1ccccc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1ccccc1N1CC[NH+](CC1)CC(=O)N[*:1]
Cc1ccccc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1N1CC[NH+](CC1)CC(=O)NC[*:1]
Cc1c(CCC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc2cc3oc4c(c3cc12)CCCC4 O=C([O-])[*:1] Cc1c(CCC(=O)N[C@@H](C)[*:1])c(=O)oc2cc3oc4CCCCc4c3cc12
CC(C)n1nccc1NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 CC(C)n1nccc1[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(Cl)nn1
CC(C)n1nccc1NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 CC(C)[*:1] O=C(Nc1ccnn1[*:1])C1CCN(CC1)c1ccc(Cl)nn1
CC(C)n1nccc1NC(=O)C1CCN(c2ccc(Cl)nn2)CC1 Clc1ccc(nn1)[*:1] CC(C)n1nccc1NC(=O)C1CCN(CC1)[*:1]
[O-]c1nc(-c2ccccn2)nc2c1CC[NH+](Cc1ccnc(N3CCOCC3)n1)C2 C1CN(CCO1)[*:1] [O-]c1nc(nc2C[NH+](CCc12)Cc1ccnc(n1)[*:1])-c1ccccn1
[O-]c1nc(-c2ccccn2)nc2c1CC[NH+](Cc1ccnc(N3CCOCC3)n1)C2 c1ccc(nc1)[*:1] [O-]c1nc(nc2C[NH+](CCc12)Cc1ccnc(n1)N1CCOCC1)[*:1]
CCc1ccc(C2=CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1 Clc1ccc(cn1)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)[*:1]
O=C(NC(CO)CO)NC1CC[NH+](Cc2ccccc2)CC1 OCC(CO)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)N[*:1]
O=C(NC(CO)CO)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NC(CO)CO)NC1CC[NH+](CC1)C[*:1]
O=C(NC(CO)CO)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(NC(CO)CO)NC1CC[NH+](CC1)[*:1]
Cc1ccccc1S(=O)(=O)/N=C(\[O-])c1occc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1S(=O)(=O)/N=C(\[O-])c1occc1[*:1]
Cc1ccccc1S(=O)(=O)/N=C(\[O-])c1occc1-c1ccccc1 Cc1ccccc1[*:1] O=S(=O)(/N=C(\[O-])c1occc1-c1ccccc1)[*:1]
COc1cc2[nH+]c(N[C@@H](C)c3ccccn3)nc(N)c2cc1OC C[C@@H](c1ccccn1)[*:1] COc1cc2[nH+]c(nc(N)c2cc1OC)N[*:1]
COc1cc2[nH+]c(N[C@@H](C)c3ccccn3)nc(N)c2cc1OC c1ccc(nc1)[*:1] COc1cc2[nH+]c(nc(N)c2cc1OC)N[C@@H](C)[*:1]
O=C(c1noc2c1CCCC2)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(c1noc2CCCCc12)N1CCC(CC1)C[*:1]
O=C(c1noc2c1CCCC2)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] O=C(c1noc2CCCCc12)N1CCC(CC1)[*:1]
Cc1ccc(NC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)s1 C1CO[C@@H](C1)C[*:1] Cc1ccc(NC(=O)Nc2cccc(c2)O[*:1])s1
Cc1ccc(NC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)s1 C1CO[C@@H](C1)[*:1] Cc1ccc(NC(=O)Nc2cccc(c2)OC[*:1])s1
Cc1ccc(NC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)s1 C1CO[C@@H](C1)CO[*:1] Cc1ccc(NC(=O)Nc2cccc(c2)[*:1])s1
Cc1ccc(NC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)s1 Cc1ccc(s1)[*:1] O=C(Nc1cccc(c1)OC[C@@H]1CCCO1)N[*:1]
CN(Cn1c(-c2ccccn2)csc1=O)[C@@H]1CCc2ccccc21 c1ccc(nc1)[*:1] CN(Cn1c(csc1=O)[*:1])[C@@H]1CCc2ccccc21
C[C@H]1Oc2ccc(C(=O)C3CCN(c4cnccc4C#N)CC3)cc2NC1=O N#Cc1ccncc1[*:1] C[C@H]1Oc2ccc(cc2NC1=O)C(=O)C1CCN(CC1)[*:1]
CCOc1ccc(CN(C)C(=O)c2cc(Cl)ccc2O)cc1 CCO[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1cc(Cl)ccc1O
C[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C(C)(C)CO1 NC(=O)[*:1] C[C@@H]1CN(C(=O)C2C[C@@H](N(N=2)c2ccc(F)cc2)[*:1])C(C)(C)CO1
C[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C(C)(C)CO1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)C2C[C@@H](C(N)=O)N(N=2)[*:1])C(C)(C)CO1
C=CCN(Cc1ccc(Br)s1)C(=O)CSc1nnc2ccccn12 Brc1ccc(s1)[*:1] C=CCN(C[*:1])C(=O)CSc1nnc2ccccn12
C=CCN(Cc1ccc(Br)s1)C(=O)CSc1nnc2ccccn12 Brc1ccc(C[*:1])s1 C=CCN(C(=O)CSc1nnc2ccccn12)[*:1]
C=CCN(Cc1ccc(Br)s1)C(=O)CSc1nnc2ccccn12 C=CC[*:1] O=C(CSc1nnc2ccccn12)N(Cc1ccc(Br)s1)[*:1]
CCn1c(SCC(F)(F)F)nnc1-c1ccccc1OC FC(F)(F)C[*:1] CCn1c(nnc1-c1ccccc1OC)S[*:1]
CCn1c(SCC(F)(F)F)nnc1-c1ccccc1OC FC(F)(F)CS[*:1] CCn1c(nnc1[*:1])-c1ccccc1OC
CCn1c(SCC(F)(F)F)nnc1-c1ccccc1OC FC(F)(F)[*:1] CCn1c(nnc1-c1ccccc1OC)SC[*:1]
CCOc1ccccc1NC(=O)N1CCC(c2nnc(C3CC3)o2)CC1 C1CC1c1nnc(o1)[*:1] CCOc1ccccc1NC(=O)N1CCC(CC1)[*:1]
CCOc1ccccc1NC(=O)N1CCC(c2nnc(C3CC3)o2)CC1 C1CC1[*:1] CCOc1ccccc1NC(=O)N1CCC(CC1)c1nnc(o1)[*:1]
CCOc1ccccc1NC(=O)N1CCC(c2nnc(C3CC3)o2)CC1 CCO[*:1] O=C(Nc1ccccc1[*:1])N1CCC(CC1)c1nnc(o1)C1CC1
COc1ccc(-c2nc(C(C)C)cc3nn(CC(=O)[O-])c(=O)n23)cc1 COc1ccc(cc1)[*:1] CC(C)c1cc2nn(CC(=O)[O-])c(=O)n2c(n1)[*:1]
COc1ccc(-c2nc(C(C)C)cc3nn(CC(=O)[O-])c(=O)n23)cc1 O=C([O-])C[*:1] COc1ccc(cc1)-c1nc(cc2nn(c(=O)n12)[*:1])C(C)C
COc1ccc(-c2nc(C(C)C)cc3nn(CC(=O)[O-])c(=O)n23)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nc(cc2nn(CC(=O)[O-])c(=O)n12)[*:1]
COc1ccc(-c2nc(C(C)C)cc3nn(CC(=O)[O-])c(=O)n23)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1nc(cc2nn(C[*:1])c(=O)n12)C(C)C
COC(=O)c1ccc(CN(C)C(=O)c2oc3ccc(F)cc3c2C)cc1 COC(=O)[*:1] Cc1c(oc2ccc(F)cc12)C(=O)N(C)Cc1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C1(CCCC1)S(=O)(=O)[*:1]
Cc1ccccc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1 Cc1ccccc1[*:1] O=C(N[*:1])C1(CCCC1)S(=O)(=O)c1ccccc1
COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(F)c(F)c2)c1 COc1cccc(c1)C[*:1] O=C(CCN(C(=O)c1ccc(F)c(F)c1)[*:1])N1CC[NH2+]CC1
COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(F)c(F)c2)c1 COc1cccc(c1)[*:1] O=C(CCN(C[*:1])C(=O)c1ccc(F)c(F)c1)N1CC[NH2+]CC1
COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] COc1cccc(c1)CN(CCC(=O)N1CC[NH2+]CC1)C(=O)[*:1]
COc1ccc(N)c(SCc2ccn(C(C)C)n2)c1 CC(C)[*:1] COc1ccc(N)c(c1)SCc1ccn(n1)[*:1]
COc1cc([C@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)ccc1O Fc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1c1ccc(C)cc1)[*:1]
COc1cc([C@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)ccc1O Cc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccc(F)cc1
COc1cc([C@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)ccc1O COc1cc(ccc1O)[*:1] Cc1ccc(cc1)N1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1[*:1]
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)N/N=C/c1ccc(o1)[*:1]
Cc1ccccc1CNC(=O)C1(C)CCN(S(=O)(=O)c2ccc(Br)s2)CC1 Cc1ccccc1C[*:1] CC1(CCN(CC1)S(=O)(=O)c1ccc(Br)s1)C(=O)N[*:1]
Cc1ccccc1CNC(=O)C1(C)CCN(S(=O)(=O)c2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] Cc1ccccc1CNC(=O)C1(C)CCN(CC1)S(=O)(=O)[*:1]
Cc1ccccc1CNC(=O)C1(C)CCN(S(=O)(=O)c2ccc(Br)s2)CC1 Cc1ccccc1[*:1] CC1(CCN(CC1)S(=O)(=O)c1ccc(Br)s1)C(=O)NC[*:1]
COc1cc2[nH]c([O-])c(C(=O)NCCc3ccc(Cl)cc3)c(=O)c2cc1OC Clc1ccc(cc1)C[*:1] COc1cc2[nH]c([O-])c(C(=O)NC[*:1])c(=O)c2cc1OC
COc1cc2[nH]c([O-])c(C(=O)NCCc3ccc(Cl)cc3)c(=O)c2cc1OC Clc1ccc(cc1)[*:1] COc1cc2[nH]c([O-])c(C(=O)NCC[*:1])c(=O)c2cc1OC
COc1cc2[nH]c([O-])c(C(=O)NCCc3ccc(Cl)cc3)c(=O)c2cc1OC Clc1ccc(cc1)CC[*:1] COc1cc2[nH]c([O-])c(C(=O)N[*:1])c(=O)c2cc1OC
CCOc1ccc(CNC(=O)[C@H](C)C2=C(C)N=N[C@@H]2C)cc1 CCO[*:1] CC1N=N[C@H](C)C=1[C@@H](C)C(=O)NCc1ccc(cc1)[*:1]
C[C@@H](O)CN(C)c1ncnc2c1cnn2C C[C@@H](O)C[*:1] CN(c1ncnc2c1cnn2C)[*:1]
C[C@@H](O)CN(C)c1ncnc2c1cnn2C C[C@@H](O)[*:1] CN(C[*:1])c1ncnc2c1cnn2C
CO[C@]1(C)C[C@@H](NC(=O)N2CCC[C@@H](c3nc(C)no3)C2)C1(C)C Cc1noc(n1)[*:1] CO[C@]1(C)C[C@@H](NC(=O)N2CCC[C@@H](C2)[*:1])C1(C)C
CN(CC(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1)C(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)N[C@H]1C=C[C@@H](C1)C(=O)[O-])C(=O)[*:1]
CN(CC(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1)C(=O)c1cccs1 O=C([O-])[*:1] CN(CC(=O)N[C@H]1C=C[C@H](C1)[*:1])C(=O)c1cccs1
O=C([O-])CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 O=C([O-])[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)S(=O)(=O)CC[*:1]
O=C([O-])CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 O=C([O-])C[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)S(=O)(=O)C[*:1]
O=C([O-])CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] O=C([O-])CCS(=O)(=O)N1CCN(CC1)C(=O)[*:1]
O=C([O-])CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 O=C([O-])CC[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)S(=O)(=O)[*:1]
CCc1c(C(=O)N[C@H](C)Cc2ccc(Cl)cc2)cnn1-c1ccc(OC)nn1 Clc1ccc(cc1)C[*:1] CCc1c(cnn1-c1ccc(nn1)OC)C(=O)N[C@H](C)[*:1]
CCc1c(C(=O)N[C@H](C)Cc2ccc(Cl)cc2)cnn1-c1ccc(OC)nn1 Clc1ccc(cc1)[*:1] CCc1c(cnn1-c1ccc(nn1)OC)C(=O)N[C@H](C)C[*:1]
CCc1c(C(=O)N[C@H](C)Cc2ccc(Cl)cc2)cnn1-c1ccc(OC)nn1 COc1ccc(nn1)[*:1] CCc1c(cnn1[*:1])C(=O)N[C@H](C)Cc1ccc(Cl)cc1
O=[S@@](Cc1c(F)cccc1Cl)Cc1nnnn1C1CC1 C1CC1[*:1] O=[S@@](Cc1c(F)cccc1Cl)Cc1nnnn1[*:1]
COCCc1nnc(SC2CCCCC2)n1N COC[*:1] Nn1c(C[*:1])nnc1SC1CCCCC1
COCCc1nnc(SC2CCCCC2)n1N COCC[*:1] Nn1c(nnc1[*:1])SC1CCCCC1
CCn1c(=O)c(CCC(=O)Nc2cccc(C)c2C)nc2c(C)nn(-c3ccccc3)c21 c1ccc(cc1)[*:1] CCn1c(=O)c(CCC(=O)Nc2cccc(C)c2C)nc2c(C)nn(c21)[*:1]
CCn1c(=O)c(CCC(=O)Nc2cccc(C)c2C)nc2c(C)nn(-c3ccccc3)c21 Cc1cccc(c1C)[*:1] CCn1c(=O)c(CCC(=O)N[*:1])nc2c(C)nn(-c3ccccc3)c21
COC(=O)[C@@H](NC(=O)c1cc(OC)cs1)c1ccc(F)c(F)c1 COC(=O)[*:1] COc1csc(c1)C(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COC(=O)[C@@H](NC(=O)c1cc(OC)cs1)c1ccc(F)c(F)c1 COc1csc(c1)[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(F)c(F)c1
Cc1ccc2[nH]c3c(=O)n(Cc4nc(C)no4)cnc3c2c1 Cc1noc(n1)[*:1] Cc1ccc2[nH]c3c(=O)n(cnc3c2c1)C[*:1]
Cc1ccc2[nH]c3c(=O)n(Cc4nc(C)no4)cnc3c2c1 Cc1noc(C[*:1])n1 Cc1ccc2[nH]c3c(=O)n(cnc3c2c1)[*:1]
COC(=O)c1nc(C)cc(N[C@@H]2CCCCC2(C)C)n1 COC(=O)[*:1] Cc1cc(nc(n1)[*:1])N[C@@H]1CCCCC1(C)C
Cc1cc(C)nc(N2CCO[C@@H](/C(N)=N/O)C2)n1 N/C(=N\O)[*:1] Cc1cc(C)nc(n1)N1CCO[C@@H](C1)[*:1]
C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(=O)n2nc(C(C)(C)C)cc2[nH]1 O=S1(=O)CC[C@H](C1)[*:1] C[C@@H](NC(=O)[*:1])c1cc(=O)n2nc(cc2[nH]1)C(C)(C)C
C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(=O)n2nc(C(C)(C)C)cc2[nH]1 CC(C)(C)[*:1] C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(=O)n2nc(cc2[nH]1)[*:1]
CC[NH2+]C[C@@H](CCC(C)C)c1ccccc1C CC(C)C[*:1] CC[NH2+]C[C@@H](C[*:1])c1ccccc1C
CC[NH2+]C[C@@H](CCC(C)C)c1ccccc1C CC(C)CC[*:1] CC[NH2+]C[C@@H](c1ccccc1C)[*:1]
CC[NH2+]C[C@@H](CCC(C)C)c1ccccc1C CC(C)[*:1] CC[NH2+]C[C@@H](CC[*:1])c1ccccc1C
Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 Cc1ccc(F)cc1[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1ccc(cc1)NC(=O)C1CC1
Cc1ccc(C)c(Cn2cc(S(=O)(=O)N3CCCCCC3)ccc2=O)c1 Cc1ccc(C)c(c1)[*:1] O=c1ccc(cn1C[*:1])S(=O)(=O)N1CCCCCC1
COc1ccccc1CNC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C CC(C)[*:1] COc1ccccc1CNC(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
COc1ccccc1CNC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C COc1ccccc1[*:1] CC(C)[C@@H](NC(=O)NC[*:1])c1nc2ccccc2[nH]1
CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(C)s2)C1 CCCC(=O)N[*:1] Cc1cc(sc1C)S(=O)(=O)N1CCC[C@H](C1)[*:1]
CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(C)s2)C1 Cc1cc(sc1C)[*:1] CCCC(=O)N[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(C)s2)C1 CCC[*:1] Cc1cc(sc1C)S(=O)(=O)N1CCC[C@H](C1)NC(=O)[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)N1CCC(CC1)NC(=O)O[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)N[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)N1CCC(CC1)[*:1]
O=C(CCSc1ccccc1)N(Cc1ccco1)c1nc2ccccc2s1 c1ccc(cc1)S[*:1] O=C(CC[*:1])N(Cc1ccco1)c1nc2ccccc2s1
O=C(CCSc1ccccc1)N(Cc1ccco1)c1nc2ccccc2s1 c1coc(c1)[*:1] O=C(CCSc1ccccc1)N(C[*:1])c1nc2ccccc2s1
O=C(CCSc1ccccc1)N(Cc1ccco1)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(CCSc1ccccc1)N(Cc1ccco1)[*:1]
O=C(CCSc1ccccc1)N(Cc1ccco1)c1nc2ccccc2s1 c1ccc(cc1)[*:1] O=C(CCS[*:1])N(Cc1ccco1)c1nc2ccccc2s1
O=C(CCSc1ccccc1)N(Cc1ccco1)c1nc2ccccc2s1 c1coc(c1)C[*:1] O=C(CCSc1ccccc1)N(c1nc2ccccc2s1)[*:1]
O=C(CCSc1ccccc1)N(Cc1ccco1)c1nc2ccccc2s1 c1ccc(cc1)SCC[*:1] O=C(N(Cc1ccco1)c1nc2ccccc2s1)[*:1]
O=C(CCSc1ccccc1)N(Cc1ccco1)c1nc2ccccc2s1 c1ccc(cc1)SC[*:1] O=C(C[*:1])N(Cc1ccco1)c1nc2ccccc2s1
Cc1ccc(C)c(-c2csc(NC(=O)C[NH+](C)CC(=O)Nc3ccccc3Cl)n2)c1 Clc1ccccc1[*:1] Cc1ccc(C)c(c1)-c1csc(n1)NC(=O)C[NH+](C)CC(=O)N[*:1]
Cc1ccc(C)c(-c2csc(NC(=O)C[NH+](C)CC(=O)Nc3ccccc3Cl)n2)c1 Cc1ccc(C)c(c1)[*:1] C[NH+](CC(=O)Nc1nc(cs1)[*:1])CC(=O)Nc1ccccc1Cl
Cc1ccc(C)c(-c2csc(NC(=O)C[NH+](C)CC(=O)Nc3ccccc3Cl)n2)c1 O=C(Nc1ccccc1Cl)[*:1] Cc1ccc(C)c(c1)-c1csc(n1)NC(=O)C[NH+](C)C[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(C)nc2)C1 CCOC(=O)[*:1] Cc1ccc(cn1)C(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CC(=O)N1CCN(C[C@@H]1C(=O)NCc1ccccc1)[*:1]
CC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(=O)NC[*:1]
CC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1CCN(C[C@@H]1C(=O)NCc1ccccc1)C[*:1]
CC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(=O)N[*:1]
CC(C)[NH2+]CC/C=C/[C@H]1CCC[C@H](C)C1 CC(C)[*:1] C[C@H]1CCC[C@H](/C=C/CC[NH2+][*:1])C1
COc1ccc(NC(=O)N[C@H](C)c2ccncc2)c(OC)c1 c1cc(ccn1)[*:1] COc1ccc(NC(=O)N[C@H](C)[*:1])c(c1)OC
O=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)c1ccccc1)[*:1]
O=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)[*:1])c1ccc(F)cc1
CC(C)(C)OC(=O)N1CC(=CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)C1 CC(C)(C)[*:1] O=C(C=C1CN(C1)C(=O)O[*:1])N[C@H]1CCC[C@@H](C1)C(F)(F)F
CC(C)(C)OC(=O)N1CC(=CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)C1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CC(=CC(=O)N[C@H]2CCC[C@H](C2)[*:1])C1
CCOC(=O)c1c(NC(=O)[C@]2(C)Sc3ccccc3N(C)C2=O)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)[C@]2(C)Sc3ccccc3N(C)C2=O)c(c1C)[*:1]
Fc1ccc(-c2n[nH]cc2CN2CCOC3(CCC3)C2)cc1 Fc1ccc(cc1)[*:1] c1[nH]nc(c1CN1CCOC2(CCC2)C1)[*:1]
NC(=O)N1CCC[C@@H](C(=O)N2CCC(OCc3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N1CCC(CC1)OC[*:1]
NC(=O)N1CCC[C@@H](C(=O)N2CCC(OCc3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)C[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N1CCC(CC1)O[*:1]
Cc1noc(-c2ccc(N3CC[C@H](NC(=O)C4(c5ccccc5)CC4)C3)nc2)n1 Cc1noc(n1)[*:1] O=C(N[C@H]1CCN(C1)c1ccc(cn1)[*:1])C1(CC1)c1ccccc1
Cc1noc(-c2ccc(N3CC[C@H](NC(=O)C4(c5ccccc5)CC4)C3)nc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)-c1ccc(nc1)N1CC[C@@H](C1)NC(=O)C1(CC1)[*:1]
Cc1noc(-c2ccc(N3CC[C@H](NC(=O)C4(c5ccccc5)CC4)C3)nc2)n1 c1ccc(cc1)C1(CC1)[*:1] Cc1noc(n1)-c1ccc(nc1)N1CC[C@@H](C1)NC(=O)[*:1]
Cc1ccccc1[C@@H](CC(=O)N1CCC(C)(C)C1)NC(N)=O NC(=O)N[*:1] Cc1ccccc1[C@@H](CC(=O)N1CCC(C)(C)C1)[*:1]
Cc1ccccc1[C@@H](CC(=O)N1CCC(C)(C)C1)NC(N)=O Cc1ccccc1[*:1] CC1(C)CCN(C1)C(=O)C[C@@H](NC(N)=O)[*:1]
CC1(C)CSC[C@H]([NH2+][C@H](C(=O)[O-])c2ccccc2)C1 O=C([O-])[*:1] CC1(C)CSC[C@@H](C1)[NH2+][C@H](c1ccccc1)[*:1]
CC1(C)CSC[C@H]([NH2+][C@H](C(=O)[O-])c2ccccc2)C1 c1ccc(cc1)[*:1] CC1(C)CSC[C@@H](C1)[NH2+][C@H](C(=O)[O-])[*:1]
CCN(Cc1ccco1)C(=O)[C@@H](C[NH3+])CC(C)C c1coc(c1)[*:1] CCN(C[*:1])C(=O)[C@@H](C[NH3+])CC(C)C
CCN(Cc1ccco1)C(=O)[C@@H](C[NH3+])CC(C)C CC(C)[*:1] CCN(Cc1ccco1)C(=O)[C@@H](C[NH3+])C[*:1]
CCN(Cc1ccco1)C(=O)[C@@H](C[NH3+])CC(C)C CC(C)C[*:1] CCN(Cc1ccco1)C(=O)[C@@H](C[NH3+])[*:1]
CCN(Cc1ccco1)C(=O)[C@@H](C[NH3+])CC(C)C c1coc(c1)C[*:1] CCN(C(=O)[C@@H](C[NH3+])CC(C)C)[*:1]
COc1ccc(/C=C\C(=O)Nc2nn(C)c3c2[C@H](c2cccs2)CC(=O)N3)cc1OC COc1ccc(cc1OC)[*:1] Cn1nc(NC(=O)C=C[*:1])c2c1NC(=O)C[C@H]2c1cccs1
COc1ccc(/C=C\C(=O)Nc2nn(C)c3c2[C@H](c2cccs2)CC(=O)N3)cc1OC c1csc(c1)[*:1] COc1ccc(/C=C\C(=O)Nc2nn(C)c3NC(=O)C[C@@H](c23)[*:1])cc1OC
Cc1ccccc1COC1CCN(S(=O)(=O)c2cccs2)CC1 Cc1ccccc1[*:1] O=S(=O)(c1cccs1)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cc1ccccc1COC1CCN(CC1)S(=O)(=O)[*:1]
COCCCC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 COCCC[*:1] C[C@H](NC(=O)[*:1])c1ccc2NC(=O)CCc2c1
COCCCC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 COCC[*:1] C[C@H](NC(=O)C[*:1])c1ccc2NC(=O)CCc2c1
COCCCC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 COC[*:1] C[C@H](NC(=O)CC[*:1])c1ccc2NC(=O)CCc2c1
CC(=O)c1ccc(/N=C/c2cc(C)c(C)c(Br)c2O)cc1 CC(=O)[*:1] Cc1cc(/C=N/c2ccc(cc2)[*:1])c(O)c(Br)c1C
CCOc1cccc([C@@H](C[NH3+])N2CCN(c3ccccc3)CC2)c1 CCO[*:1] [NH3+]C[C@H](c1cccc(c1)[*:1])N1CCN(CC1)c1ccccc1
CCOc1cccc([C@@H](C[NH3+])N2CCN(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)[C@@H](C[NH3+])N1CCN(CC1)[*:1]
C[C@H](CCOc1ccccc1)C(=O)Nc1nccs1 c1ccc(cc1)[*:1] C[C@H](CCO[*:1])C(=O)Nc1nccs1
C[C@H](CCOc1ccccc1)C(=O)Nc1nccs1 c1csc(n1)[*:1] C[C@H](CCOc1ccccc1)C(=O)N[*:1]
Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(C)s3)C2=O)cc1 Cc1ccc(s1)[*:1] Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[*:1])C2=O)cc1
Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(C)s3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)NCCN1C(=O)SC(=C[*:1])C1=O
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)CSCC(F)(F)F FC(F)(F)C[*:1] Cc1cc(ccc1NC(=O)CS[*:1])C(=O)NC(C)C
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)CSCC(F)(F)F FC(F)(F)[*:1] Cc1cc(ccc1NC(=O)CSC[*:1])C(=O)NC(C)C
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)CSCC(F)(F)F FC(F)(F)CS[*:1] Cc1cc(ccc1NC(=O)C[*:1])C(=O)NC(C)C
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)CSCC(F)(F)F CC(C)[*:1] Cc1cc(ccc1NC(=O)CSCC(F)(F)F)C(=O)N[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)CSCC(F)(F)F FC(F)(F)CSC[*:1] Cc1cc(ccc1NC(=O)[*:1])C(=O)NC(C)C
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)CSCC(F)(F)F CC(C)NC(=O)[*:1] Cc1cc(ccc1NC(=O)CSCC(F)(F)F)[*:1]
Cc1ccc([N+](=O)[O-])c2c1[C@@H]([NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)O2 O=[N+]([O-])[*:1] Cc1ccc(c2OC(C)(C)[C@@H](c12)[NH+]1C[C@@H](C)O[C@H](C)C1)[*:1]
CCCC[C@@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C CCCC[*:1] C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)[*:1]
CCCC[C@@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C CCC[*:1] C[C@H](C[*:1])[NH2+][C@H]1CC(C)(C)OC1(C)C
CCCCn1nnnc1Cn1cnc2sc(-c3ccccc3)cc2c1=O c1ccc(cc1)[*:1] CCCCn1nnnc1Cn1cnc2sc(cc2c1=O)[*:1]
CCCCn1nnnc1Cn1cnc2sc(-c3ccccc3)cc2c1=O CCC[*:1] O=c1c2cc(sc2ncn1Cc1nnnn1C[*:1])-c1ccccc1
CCCCn1nnnc1Cn1cnc2sc(-c3ccccc3)cc2c1=O CCCC[*:1] O=c1c2cc(sc2ncn1Cc1nnnn1[*:1])-c1ccccc1
[NH3+][C@H]1CCCO[C@@H]1c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] [NH3+][C@H]1CCCO[C@@H]1c1ccc(cc1)[*:1]
O=C(CSc1n[nH]c(N/N=C/c2ccc(F)cc2)n1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])Nc1ccc(F)cc1
O=C(CSc1n[nH]c(N/N=C/c2ccc(F)cc2)n1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1ccc(F)cc1)N[*:1]
CCc1cnc(NC(=O)C(C)(C)CC)s1 CCC(C)(C)[*:1] CCc1cnc(NC(=O)[*:1])s1
C=CCN(CC(=O)[O-])C(=O)c1ccc(C[NH3+])cc1 O=C([O-])C[*:1] C=CCN(C(=O)c1ccc(cc1)C[NH3+])[*:1]
C=CCN(CC(=O)[O-])C(=O)c1ccc(C[NH3+])cc1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)c1ccc(cc1)C[NH3+]
C=CCN(CC(=O)[O-])C(=O)c1ccc(C[NH3+])cc1 C=CC[*:1] [NH3+]Cc1ccc(cc1)C(=O)N(CC(=O)[O-])[*:1]
COc1ccc(-c2cc(C(=O)N(C)CCc3ccccn3)c3ccccc3n2)cc1 c1ccc(CC[*:1])nc1 COc1ccc(cc1)-c1cc(C(=O)N(C)[*:1])c2ccccc2n1
COc1ccc(-c2cc(C(=O)N(C)CCc3ccccn3)c3ccccc3n2)cc1 c1ccc(C[*:1])nc1 COc1ccc(cc1)-c1cc(C(=O)N(C)C[*:1])c2ccccc2n1
COc1ccc(-c2cc(C(=O)N(C)CCc3ccccn3)c3ccccc3n2)cc1 COc1ccc(cc1)[*:1] CN(CCc1ccccn1)C(=O)c1cc(nc2ccccc12)[*:1]
COc1ccc(-c2cc(C(=O)N(C)CCc3ccccn3)c3ccccc3n2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)-c1cc(C(=O)N(C)CC[*:1])c2ccccc2n1
CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NCc2ccccc2OC(C)(C)C)C1 CC(C)(C)[*:1] CC[S@@](=O)[C@H]1CCC[C@@H](C1)NC(=O)NCc1ccccc1O[*:1]
CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NCc2ccccc2OC(C)(C)C)C1 CC(C)(C)O[*:1] CC[S@@](=O)[C@H]1CCC[C@@H](C1)NC(=O)NCc1ccccc1[*:1]
CC(=O)c1c(C)cc(C)c(C[S@@](=O)[C@@H](C)C(=O)N2CCCCCC2)c1C CC(=O)[*:1] Cc1cc(C)c(c(C)c1C[S@@](=O)[C@@H](C)C(=O)N1CCCCCC1)[*:1]
CN1C(=O)CN(Cc2noc(C3CCCC3)n2)C(=O)c2ccccc21 C1CCC(C1)[*:1] CN1C(=O)CN(Cc2noc(n2)[*:1])C(=O)c2ccccc21
CC(=O)Nc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)c1 CC(=O)N[*:1] C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N[C@H](C)CCCO)c1 C[C@H](CCCO)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N[*:1]
Cc1ccc(C)c(S(=O)(=O)N[C@H](C)CCCO)c1 OCC[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N[C@H](C)C[*:1]
Cc1ccc(C)c(S(=O)(=O)N[C@H](C)CCCO)c1 OCCC[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N[C@H](C)[*:1]
C/C(=N\NS(=O)(=O)c1ccc(C)cc1)[C@H]1Cc2ccccc2C(=O)O1 Cc1ccc(cc1)[*:1] C/C(=N\NS(=O)(=O)[*:1])[C@H]1Cc2ccccc2C(=O)O1
C[C@](NC(=O)NCC1CCOCC1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](NC(=O)NCC1CCOCC1)(C(=O)[O-])[*:1]
C[C@](NC(=O)NCC1CCOCC1)(C(=O)[O-])C(F)(F)F C1CC(CCO1)[*:1] C[C@](NC(=O)NC[*:1])(C(=O)[O-])C(F)(F)F
C[C@](NC(=O)NCC1CCOCC1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@](NC(=O)NCC1CCOCC1)(C(F)(F)F)[*:1]
COCCOC(=O)c1cc(C(C)C)n(C)n1 COC[*:1] CC(C)c1cc(nn1C)C(=O)OC[*:1]
COCCOC(=O)c1cc(C(C)C)n(C)n1 CC(C)[*:1] COCCOC(=O)c1cc(n(C)n1)[*:1]
COCCOC(=O)c1cc(C(C)C)n(C)n1 COCC[*:1] CC(C)c1cc(nn1C)C(=O)O[*:1]
Cc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 Cc1ccccc1C[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)[*:1]
Cc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] Cc1ccccc1CC(=O)Nc1ccc(C)c(c1)[*:1]
Cc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 Cc1ccccc1[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)C[*:1]
Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2c(cnn21)C(=O)N[*:1]
Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 Cc1ccccc1NC(=O)[*:1] Cc1ccc(cc1)[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2c(cnn21)[*:1]
Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)c1cnn2c1NC1CC(C)(C)CC(=O)C=1[C@H]2[*:1]
COCCC[C@@H]1CCCCN1C(=O)c1cnc(N2CCCCC2)nc1C C1CCN(CC1)[*:1] COCCC[C@@H]1CCCCN1C(=O)c1cnc(nc1C)[*:1]
COCCC[C@@H]1CCCCN1C(=O)c1cnc(N2CCCCC2)nc1C COCC[*:1] Cc1nc(ncc1C(=O)N1CCCC[C@H]1C[*:1])N1CCCCC1
COCCC[C@@H]1CCCCN1C(=O)c1cnc(N2CCCCC2)nc1C COC[*:1] Cc1nc(ncc1C(=O)N1CCCC[C@H]1CC[*:1])N1CCCCC1
COCCC[C@@H]1CCCCN1C(=O)c1cnc(N2CCCCC2)nc1C COCCC[*:1] Cc1nc(ncc1C(=O)N1CCCC[C@H]1[*:1])N1CCCCC1
C=CCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccc(F)cc3)c2[O-])cc1 C=CCO[*:1] Cc1c(C(=O)c2ccc(cc2)[*:1])c([O-])n(Cc2ccc(F)cc2)c(=O)c1C#N
C=CCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccc(F)cc3)c2[O-])cc1 Fc1ccc(cc1)C[*:1] C=CCOc1ccc(cc1)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
C=CCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccc(F)cc3)c2[O-])cc1 Fc1ccc(cc1)[*:1] C=CCOc1ccc(cc1)C(=O)c1c(C)c(C#N)c(=O)n(C[*:1])c1[O-]
C=CCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccc(F)cc3)c2[O-])cc1 C=CC[*:1] Cc1c(C(=O)c2ccc(cc2)O[*:1])c([O-])n(Cc2ccc(F)cc2)c(=O)c1C#N
C=CCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(Cc3ccc(F)cc3)c2[O-])cc1 C=CCOc1ccc(cc1)[*:1] Cc1c(C(=O)[*:1])c([O-])n(Cc2ccc(F)cc2)c(=O)c1C#N
CCC[NH+](CC1CCCCC1)Cn1nc(C(C)(C)C)ccc1=O CCC[*:1] CC(C)(C)c1ccc(=O)n(C[NH+](CC2CCCCC2)[*:1])n1
CCC[NH+](CC1CCCCC1)Cn1nc(C(C)(C)C)ccc1=O C1CCC(CC1)[*:1] CCC[NH+](Cn1nc(ccc1=O)C(C)(C)C)C[*:1]
CCC[NH+](CC1CCCCC1)Cn1nc(C(C)(C)C)ccc1=O CC(C)(C)[*:1] CCC[NH+](CC1CCCCC1)Cn1nc(ccc1=O)[*:1]
CCC[NH+](CC1CCCCC1)Cn1nc(C(C)(C)C)ccc1=O C1CCC(CC1)C[*:1] CCC[NH+](Cn1nc(ccc1=O)C(C)(C)C)[*:1]
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1Cl Clc1ccc(cc1)[*:1] COc1ccccc1[N-]S(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
Cc1nonc1-c1noc(CCC(=O)[O-])n1 O=C([O-])CC[*:1] Cc1nonc1-c1noc(n1)[*:1]
Cc1nonc1-c1noc(CCC(=O)[O-])n1 O=C([O-])C[*:1] Cc1nonc1-c1noc(C[*:1])n1
Cc1nonc1-c1noc(CCC(=O)[O-])n1 O=C([O-])[*:1] Cc1nonc1-c1noc(CC[*:1])n1
O=C(CSc1ccncc1)Oc1ccc(Br)cc1 c1cc(ccn1)[*:1] O=C(CS[*:1])Oc1ccc(Br)cc1
CC1(C)CCSC[C@@]1(Nc1ccccc1Br)C(=O)[O-] O=C([O-])[*:1] CC1(C)CCSC[C@]1(Nc1ccccc1Br)[*:1]
COc1ccc2nc(/N=C(\N)NC(=S)Nc3ccc(Cl)cc3)nc(C)c2c1 Clc1ccc(cc1)[*:1] COc1ccc2nc(/N=C(\N)NC(=S)N[*:1])nc(C)c2c1
COc1ccc(C(=O)NCC(N)=S)cc1O NC(=S)[*:1] COc1ccc(cc1O)C(=O)NC[*:1]
COc1ccc(C(=O)NCC(N)=S)cc1O NC(=S)C[*:1] COc1ccc(cc1O)C(=O)N[*:1]
Cc1[nH+]ccn1CCCC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C c1ccc(cc1)[*:1] Cc1[nH+]ccn1CCCC(=O)N[C@H](c1nc2ccccc2n1C)[*:1]
COc1ccccc1OCC1=C[C@@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)N=N1 COc1ccccc1[*:1] CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1C=C(CO[*:1])N=N1
COc1ccccc1OCC1=C[C@@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)N=N1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccccc1OCC1=C[C@H](N=N1)C(=O)N(C)C[*:1]
COc1ccccc1OCC1=C[C@@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)N=N1 COc1ccccc1O[*:1] CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1C=C(C[*:1])N=N1
COc1ccccc1N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCC#N)cc23)CC1 COc1ccccc1[*:1] N#CCOc1ccc2[nH]cc(c2c1)[C@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
COc1ccccc1N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCC#N)cc23)CC1 N#CC[*:1] COc1ccccc1N1CC[NH+](CC1)[C@@H](C(=O)[O-])c1c[nH]c2ccc(cc12)O[*:1]
COc1ccccc1N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCC#N)cc23)CC1 N#CCO[*:1] COc1ccccc1N1CC[NH+](CC1)[C@@H](C(=O)[O-])c1c[nH]c2ccc(cc12)[*:1]
Cc1cc2ncn(C[C@H](O)COc3cc(Cl)ccc3Cl)c2cc1C Clc1ccc(Cl)c(c1)[*:1] Cc1cc2ncn(C[C@H](O)CO[*:1])c2cc1C
COc1cccc([C@H](C#N)NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1OC c1ccc(cc1)[*:1] COc1cccc(c1OC)[C@H](C#N)NC(=O)[C@@H]1C[C@H]1[*:1]
CC[NH2+]C[C@@H](CCC(C)C)c1ccccc1F CC(C)C[*:1] CC[NH2+]C[C@@H](C[*:1])c1ccccc1F
CC[NH2+]C[C@@H](CCC(C)C)c1ccccc1F CC(C)CC[*:1] CC[NH2+]C[C@@H](c1ccccc1F)[*:1]
CC[NH2+]C[C@@H](CCC(C)C)c1ccccc1F CC(C)[*:1] CC[NH2+]C[C@@H](CC[*:1])c1ccccc1F
CC[C@@H]1C(=O)NCCN1S(=O)(=O)C[C@@H](C)CCl C[C@@H](CCl)C[*:1] CC[C@@H]1C(=O)NCCN1S(=O)(=O)[*:1]
CC[C@@H]1C(=O)NCCN1S(=O)(=O)C[C@@H](C)CCl C[C@@H](CCl)[*:1] CC[C@@H]1C(=O)NCCN1S(=O)(=O)C[*:1]
Cc1ccccc1NC(=S)Nc1ccc(-c2ccccc2)cc1 Cc1ccccc1[*:1] S=C(Nc1ccc(cc1)-c1ccccc1)N[*:1]
Cc1ccccc1NC(=S)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=S)Nc1ccc(cc1)[*:1]
COc1cccc(C[NH+]2CCc3c(C(=O)NCc4ccsc4)c(OC)cc(=O)n3CC2)c1 c1cc(cs1)C[*:1] COc1cccc(c1)C[NH+]1CCc2c(C(=O)N[*:1])c(cc(=O)n2CC1)OC
COc1cccc(C[NH+]2CCc3c(C(=O)NCc4ccsc4)c(OC)cc(=O)n3CC2)c1 c1cc(cs1)[*:1] COc1cccc(c1)C[NH+]1CCc2c(C(=O)NC[*:1])c(cc(=O)n2CC1)OC
COc1cccc(C[NH+]2CCc3c(C(=O)NCc4ccsc4)c(OC)cc(=O)n3CC2)c1 COc1cccc(c1)C[*:1] COc1cc(=O)n2CC[NH+](CCc2c1C(=O)NCc1ccsc1)[*:1]
COc1cccc(C[NH+]2CCc3c(C(=O)NCc4ccsc4)c(OC)cc(=O)n3CC2)c1 O=C(NCc1ccsc1)[*:1] COc1cccc(c1)C[NH+]1CCc2c(c(cc(=O)n2CC1)OC)[*:1]
COc1cccc(C[NH+]2CCc3c(C(=O)NCc4ccsc4)c(OC)cc(=O)n3CC2)c1 COc1cccc(c1)[*:1] COc1cc(=O)n2CC[NH+](CCc2c1C(=O)NCc1ccsc1)C[*:1]
Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)S(=O)(=O)NCCc1csc2nc(nn12)[*:1]
Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1C Cc1ccc(cc1C)[*:1] O=S(=O)(NCCc1csc2nc(nn12)-c1cccs1)[*:1]
CC1(C)CC(=O)c2cc(C(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)c(=O)[nH]c2C1 Fc1cccc(c1)[*:1] CC1(C)CC(=O)c2cc(C(=O)N(C[C@@H]3CCCO3)C[*:1])c(=O)[nH]c2C1
CC1(C)CC(=O)c2cc(C(=O)N(Cc3cccc(F)c3)C[C@@H]3CCCO3)c(=O)[nH]c2C1 Fc1cccc(c1)C[*:1] CC1(C)CC(=O)c2cc(C(=O)N(C[C@@H]3CCCO3)[*:1])c(=O)[nH]c2C1
O=S(=O)(/N=C(\[O-])CCc1nc(-c2cccnc2)no1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=S(=O)(/N=C(\[O-])CCc1nc(no1)-c1cccnc1)[*:1]
O=S(=O)(/N=C(\[O-])CCc1nc(-c2cccnc2)no1)c1ccc(F)cc1F c1cncc(c1)[*:1] O=S(=O)(/N=C(\[O-])CCc1nc(no1)[*:1])c1ccc(F)cc1F
Cc1cc(Cl)cc2c1OCCC[C@@H]2NCCc1cccc(C(N)=O)c1 NC(=O)[*:1] Cc1cc(Cl)cc2c1OCCC[C@@H]2NCCc1cccc(c1)[*:1]
N#CCOc1cccc(CNC(=O)c2cnc(Cc3ccccc3)s2)c1 N#CC[*:1] O=C(NCc1cccc(c1)O[*:1])c1cnc(Cc2ccccc2)s1
N#CCOc1cccc(CNC(=O)c2cnc(Cc3ccccc3)s2)c1 c1ccc(cc1)C[*:1] N#CCOc1cccc(c1)CNC(=O)c1cnc(s1)[*:1]
N#CCOc1cccc(CNC(=O)c2cnc(Cc3ccccc3)s2)c1 N#CCO[*:1] O=C(NCc1cccc(c1)[*:1])c1cnc(Cc2ccccc2)s1
N#CCOc1cccc(CNC(=O)c2cnc(Cc3ccccc3)s2)c1 c1ccc(cc1)[*:1] N#CCOc1cccc(c1)CNC(=O)c1cnc(C[*:1])s1
COc1ccc(CC(=O)N2CCc3nc(NC(C)=O)sc3C2)cc1 CC(=O)N[*:1] COc1ccc(cc1)CC(=O)N1CCc2nc(sc2C1)[*:1]
COc1ccc(CC(=O)N2CCc3nc(NC(C)=O)sc3C2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1nc2CCN(Cc2s1)C(=O)C[*:1]
Cc1cc(C)nc(-n2nc(C)c(CC(=O)OC[C@@H]3CC=CC[C@@H]3C)c2C)n1 Cc1cc(C)nc(n1)[*:1] Cc1nn(c(C)c1CC(=O)OC[C@@H]1CC=CC[C@@H]1C)[*:1]
CCOc1cccc(N[C@H]2CC(C)(C)OC2(C)C)c1 CCO[*:1] CC1(C)C[C@H](Nc2cccc(c2)[*:1])C(C)(C)O1
CCCC(=O)N(CC(=O)Nc1ccc(F)cc1)C(C)C CCC[*:1] CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)[*:1]
CCCC(=O)N(CC(=O)Nc1ccc(F)cc1)C(C)C CC(C)[*:1] CCCC(=O)N(CC(=O)Nc1ccc(F)cc1)[*:1]
CC(C)(C)OC(=O)CSc1ccnc(C(=O)[O-])c1 CC(C)(C)[*:1] O=C(CSc1ccnc(c1)C(=O)[O-])O[*:1]
CC(C)(C)OC(=O)CSc1ccnc(C(=O)[O-])c1 O=C([O-])[*:1] CC(C)(C)OC(=O)CSc1ccnc(c1)[*:1]
CCN1CCc2c(sc(NC(=O)c3ccnn3CC)c2-c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] CCN1CCc2c(C1)sc(NC(=O)c1ccnn1CC)c2[*:1]
CCN1CCc2c(sc(NC(=O)c3ccnn3CC)c2-c2nc3ccccc3s2)C1 CCn1nccc1C(=O)N[*:1] CCN1CCc2c(C1)sc(c2-c1nc2ccccc2s1)[*:1]
CCN1CCc2c(sc(NC(=O)c3ccnn3CC)c2-c2nc3ccccc3s2)C1 CCn1nccc1[*:1] CCN1CCc2c(C1)sc(NC(=O)[*:1])c2-c1nc2ccccc2s1
COc1ccccc1N1CCN(CCNC(=O)c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] COc1ccccc1N1CCN(CCNC(=O)[*:1])CC1
COc1ccccc1N1CCN(CCNC(=O)c2cccc(C)c2)CC1 COc1ccccc1[*:1] Cc1cccc(c1)C(=O)NCCN1CCN(CC1)[*:1]
CC(C)C[C@](C)(NS(=O)(=O)N1CCC(C(C)(C)C)CC1)C(N)=O CC(C)C[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N[C@@](C)(C(N)=O)[*:1]
CC(C)C[C@](C)(NS(=O)(=O)N1CCC(C(C)(C)C)CC1)C(N)=O CC(C)[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N[C@@](C)(C[*:1])C(N)=O
CC(C)C[C@](C)(NS(=O)(=O)N1CCC(C(C)(C)C)CC1)C(N)=O CC(C)(C)[*:1] CC(C)C[C@](C)(NS(=O)(=O)N1CCC(CC1)[*:1])C(N)=O
CC(C)C[C@](C)(NS(=O)(=O)N1CCC(C(C)(C)C)CC1)C(N)=O NC(=O)[*:1] CC(C)C[C@](C)(NS(=O)(=O)N1CCC(CC1)C(C)(C)C)[*:1]
CCOc1ccc2c(c1)CN(C(=O)N[C@H]1CCCn3c(C)nnc31)CC2 CCO[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N1CCc2ccc(cc2C1)[*:1]
Cc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)NC2CC2)CC1 Cc1ccccc1[*:1] O=C(N[C@@H](C(=O)NC1CC1)C1CCN(CC1)C(=O)[*:1])c1cccs1
Cc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)NC2CC2)CC1 c1csc(c1)[*:1] Cc1ccccc1C(=O)N1CCC(CC1)[C@@H](NC(=O)[*:1])C(=O)NC1CC1
Cc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] Cc1ccccc1C(=O)N1CCC(CC1)[C@@H](NC(=O)c1cccs1)[*:1]
Cc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)NC2CC2)CC1 O=C(N[*:1])c1cccs1 Cc1ccccc1C(=O)N1CCC(CC1)[C@@H](C(=O)NC1CC1)[*:1]
Cc1ccccc1C(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)NC2CC2)CC1 C1CC1[*:1] Cc1ccccc1C(=O)N1CCC(CC1)[C@@H](NC(=O)c1cccs1)C(=O)N[*:1]
CCc1ccc(CC)c(NC(=O)NCc2n[nH]c(=S)n2C2CC2)c1 C1CC1[*:1] CCc1ccc(CC)c(c1)NC(=O)NCc1n[nH]c(=S)n1[*:1]
COC(=O)c1ccc(CSc2ccncc2)cc1 COC(=O)[*:1] c1cc(ccn1)SCc1ccc(cc1)[*:1]
COC(=O)c1ccc(CSc2ccncc2)cc1 c1cc(ccn1)[*:1] COC(=O)c1ccc(cc1)CS[*:1]
COCCCn1c(SCC(F)(F)F)nc2ccccc2c1=O COC[*:1] O=c1c2ccccc2nc(SCC(F)(F)F)n1CC[*:1]
COCCCn1c(SCC(F)(F)F)nc2ccccc2c1=O FC(F)(F)C[*:1] COCCCn1c(nc2ccccc2c1=O)S[*:1]
COCCCn1c(SCC(F)(F)F)nc2ccccc2c1=O COCCC[*:1] O=c1c2ccccc2nc(SCC(F)(F)F)n1[*:1]
COCCCn1c(SCC(F)(F)F)nc2ccccc2c1=O COCC[*:1] O=c1c2ccccc2nc(SCC(F)(F)F)n1C[*:1]
COCCCn1c(SCC(F)(F)F)nc2ccccc2c1=O FC(F)(F)[*:1] COCCCn1c(nc2ccccc2c1=O)SC[*:1]
COCCCn1c(SCC(F)(F)F)nc2ccccc2c1=O FC(F)(F)CS[*:1] COCCCn1c(nc2ccccc2c1=O)[*:1]
Cc1c(NC(=O)C2=Cc3cc(F)ccc3OC2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])NC(=O)C1=Cc2cc(F)ccc2OC1
Cn1cc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)cn1 Cn1cc(cn1)[*:1] O=C(CCc1ccccc1)[C@H]1CCCN(C1)C(=O)[*:1]
Cn1cc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)cn1 c1ccc(cc1)CC[*:1] Cn1cc(cn1)C(=O)N1CCC[C@@H](C1)C(=O)[*:1]
Cn1cc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)C(=O)N1CCC[C@@H](C1)C(=O)CC[*:1]
Cn1cc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)C(=O)N1CCC[C@@H](C1)C(=O)C[*:1]
Cc1cc(N2CCC3(CC2)OCCO3)n2nc(-c3ccco3)nc2n1 c1coc(c1)[*:1] Cc1cc(N2CCC3(CC2)OCCO3)n2nc(nc2n1)[*:1]
CCO[C@@H](C)[C@@H]([NH2+]C)[C@@H]1CCOC2(CCCC2)C1 CCO[*:1] C[NH2+][C@H]([C@H](C)[*:1])[C@@H]1CCOC2(CCCC2)C1
CCO[C@@H](C)[C@@H]([NH2+]C)[C@@H]1CCOC2(CCCC2)C1 CCO[C@@H](C)[*:1] C[NH2+][C@@H]([C@@H]1CCOC2(CCCC2)C1)[*:1]
O=C([O-])[C@@H]1CN(c2nccc(N3CCC(O)CC3)n2)CC[NH2+]1 O=C([O-])[*:1] OC1CCN(CC1)c1ccnc(n1)N1CC[NH2+][C@@H](C1)[*:1]
O=C([O-])[C@@H]1CN(c2nccc(N3CCC(O)CC3)n2)CC[NH2+]1 OC1CCN(CC1)[*:1] O=C([O-])[C@@H]1CN(CC[NH2+]1)c1nccc(n1)[*:1]
COc1cccc(NC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nncn1C1CC1
COc1cccc(NC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c1 C1CC1[*:1] COc1cccc(c1)NC(=O)N1CCC[C@H](C1)c1nncn1[*:1]
COc1cccc(NC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c1 c1nnc(n1C1CC1)[*:1] COc1cccc(c1)NC(=O)N1CCC[C@@H](C1)[*:1]
N#CCN(C(=O)COc1ccc(C(F)(F)F)cc1)C1CCCC1 C1CCC(C1)[*:1] N#CCN(C(=O)COc1ccc(cc1)C(F)(F)F)[*:1]
N#CCN(C(=O)COc1ccc(C(F)(F)F)cc1)C1CCCC1 FC(F)(F)[*:1] N#CCN(C(=O)COc1ccc(cc1)[*:1])C1CCCC1
N#CCN(C(=O)COc1ccc(C(F)(F)F)cc1)C1CCCC1 N#CC[*:1] O=C(COc1ccc(cc1)C(F)(F)F)N(C1CCCC1)[*:1]
Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1C Cc1cccc(c1C)[*:1] C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[*:1]
Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(NC(=O)N(CC[NH+](C)C)C[*:1])c1C
Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1C Fc1ccc(cc1)C[*:1] Cc1cccc(NC(=O)N(CC[NH+](C)C)[*:1])c1C
CCn1c(S[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)nc2ccccc21 Cc1cccc(C)c1[*:1] CCn1c(nc2ccccc21)S[C@H](C)C(=O)NCC(=O)N[*:1]
COc1cccc(NC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN1c1nnc(s1)N1CCCC1=O
COc1cccc(NC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)c1 O=C1CCCN1[*:1] COc1cccc(c1)NC(=O)[C@H]1CCCN1c1nnc(s1)[*:1]
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CSc2ccc(F)cc2)c1C Cc1cccc(c1C)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)CSc1ccc(F)cc1
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CSc2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(O[C@H](C)C(=O)NNC(=O)CS[*:1])c1C
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CSc2ccc(F)cc2)c1C Fc1ccc(cc1)S[*:1] Cc1cccc(O[C@H](C)C(=O)NNC(=O)C[*:1])c1C
CN(C)c1cc(C(F)(F)F)cc(-c2cccc(-c3ccn(C)n3)c2)n1 CN(C)[*:1] Cn1ccc(n1)-c1cccc(c1)-c1cc(cc(n1)[*:1])C(F)(F)F
CN(C)c1cc(C(F)(F)F)cc(-c2cccc(-c3ccn(C)n3)c2)n1 Cn1ccc(n1)[*:1] CN(C)c1cc(cc(n1)-c1cccc(c1)[*:1])C(F)(F)F
CN(C)c1cc(C(F)(F)F)cc(-c2cccc(-c3ccn(C)n3)c2)n1 FC(F)(F)[*:1] CN(C)c1cc(cc(n1)-c1cccc(c1)-c1ccn(C)n1)[*:1]
CC(C)[C@@H](C)CC(=O)N(C)c1cccc2ncccc12 CC(C)[*:1] C[C@@H](CC(=O)N(C)c1cccc2ncccc12)[*:1]
CC(C)[C@@H](C)CC(=O)N(C)c1cccc2ncccc12 CC(C)[C@@H](C)[*:1] CN(C(=O)C[*:1])c1cccc2ncccc12
CC1CCC(CN(C)C(=O)CC2(O)CCCC2)CC1 OC1(CCCC1)[*:1] CC1CCC(CC1)CN(C)C(=O)C[*:1]
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 Fc1ccc(cc1)[*:1] Cc1nnnn1C(=C[*:1])C(=O)N1CCC[C@H](C1)C(N)=O
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 Cc1nnnn1[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)C(=Cc1ccc(F)cc1)[*:1]
Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 NC(=O)[*:1] Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)Nc1cc(S(=O)(=O)Oc2cc(C)ccc2Cl)ccc1F CC(=O)N[*:1] Cc1ccc(Cl)c(c1)OS(=O)(=O)c1ccc(F)c(c1)[*:1]
O=[N+]([O-])c1ccc(Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1 C1CC1[*:1] O=[N+]([O-])c1ccc(cc1)Nc1ccc(cc1)OCc1noc(n1)[*:1]
O=[N+]([O-])c1ccc(Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1 O=[N+]([O-])[*:1] c1cc(ccc1Nc1ccc(cc1)[*:1])OCc1noc(n1)C1CC1
O=[N+]([O-])c1ccc(Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1 C1CC1c1nc(no1)[*:1] O=[N+]([O-])c1ccc(cc1)Nc1ccc(cc1)OC[*:1]
CC(C)S(=O)(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O CC(C)[*:1] O=C1CCCN1[C@@H](CNS(=O)(=O)[*:1])Cc1cccc(F)c1
CC(C)S(=O)(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O Fc1cccc(c1)[*:1] CC(C)S(=O)(=O)NC[C@@H](C[*:1])N1CCCC1=O
CC(C)S(=O)(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O O=C1CCCN1[*:1] CC(C)S(=O)(=O)NC[C@@H](Cc1cccc(F)c1)[*:1]
CC(C)S(=O)(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O CC(C)S(=O)(=O)N[*:1] O=C1CCCN1[C@H](Cc1cccc(F)c1)C[*:1]
FC(F)(F)c1ccnc(NCCNc2[nH+]cccc2C(F)(F)F)n1 FC(F)(F)[*:1] FC(F)(F)c1ccc[nH+]c1NCCNc1nccc(n1)[*:1]
FC(F)(F)c1ccnc(NCCNc2[nH+]cccc2C(F)(F)F)n1 FC(F)(F)[*:1] FC(F)(F)c1ccnc(n1)NCCNc1[nH+]cccc1[*:1]
Cc1cc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)c(C)n1C1CCCCC1 NC(=O)[*:1] Cc1cc(CN2C[C@@H](O[C@H](C)C2)[*:1])c(C)n1C1CCCCC1
Cc1cc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)c(C)n1C1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(CN2C[C@H](O[C@H](C)C2)C(N)=O)c(C)n1[*:1]
CNC(=O)C1CC[NH+](Cc2ccc(N)c(F)c2)CC1 CNC(=O)[*:1] Nc1ccc(cc1F)C[NH+]1CCC(CC1)[*:1]
C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CN1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C[*:1]
C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CN1CCOCC1 O=[N+]([O-])[*:1] C[C@H](CNc1ccc(cc1[N+](=O)[O-])[*:1])CN1CCOCC1
C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@H](CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[*:1]
C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CN1CCOCC1 O=[N+]([O-])[*:1] C[C@H](CNc1ccc(cc1[*:1])[N+](=O)[O-])CN1CCOCC1
COc1ccccc1Cn1c([C@H](C)NC(=O)c2ccccn2)nc2ccccc21 COc1ccccc1C[*:1] C[C@H](NC(=O)c1ccccn1)c1nc2ccccc2n1[*:1]
COc1ccccc1Cn1c([C@H](C)NC(=O)c2ccccn2)nc2ccccc21 O=C(N[*:1])c1ccccn1 COc1ccccc1Cn1c(nc2ccccc21)[C@H](C)[*:1]
COc1ccccc1Cn1c([C@H](C)NC(=O)c2ccccn2)nc2ccccc21 COc1ccccc1[*:1] C[C@H](NC(=O)c1ccccn1)c1nc2ccccc2n1C[*:1]
COc1ccccc1Cn1c([C@H](C)NC(=O)c2ccccn2)nc2ccccc21 c1ccc(nc1)[*:1] COc1ccccc1Cn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
COc1ccc(CNC(=O)c2ccc3c([O-])nc4c(-c5cccc(C)c5)nnn4c3c2)c(OC)c1 Cc1cccc(c1)[*:1] COc1ccc(CNC(=O)c2ccc3c([O-])nc4c(nnn4c3c2)[*:1])c(c1)OC
COc1ccc(CNC(=O)c2ccc3c([O-])nc4c(-c5cccc(C)c5)nnn4c3c2)c(OC)c1 COc1ccc(C[*:1])c(c1)OC Cc1cccc(c1)-c1nnn2c1nc([O-])c1ccc(cc12)C(=O)N[*:1]
COc1ccc(CNC(=O)c2ccc3c([O-])nc4c(-c5cccc(C)c5)nnn4c3c2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cccc(c1)-c1nnn2c1nc([O-])c1ccc(cc12)C(=O)NC[*:1]
C[C@@H](CCC(C)(C)C)NC(=O)N1CCO[C@H](C#N)C1 CC(C)(C)[*:1] C[C@@H](CC[*:1])NC(=O)N1CCO[C@H](C#N)C1
C[C@@H](CCC(C)(C)C)NC(=O)N1CCO[C@H](C#N)C1 CC(C)(C)C[*:1] C[C@@H](C[*:1])NC(=O)N1CCO[C@H](C#N)C1
C[C@@H](CCC(C)(C)C)NC(=O)N1CCO[C@H](C#N)C1 CC(C)(C)CC[*:1] C[C@@H](NC(=O)N1CCO[C@H](C#N)C1)[*:1]
Cc1cccc(C2=CCN(C(=O)C[C@H]3CCOc4ccccc43)CC2)c1 Cc1cccc(c1)[*:1] O=C(C[C@H]1CCOc2ccccc21)N1CC=C(CC1)[*:1]
OCc1ccc(-c2c(-c3ccccc3)[nH+]cn2[C@@H]2COC3(CCCC3)C2)o1 c1ccc(cc1)[*:1] OCc1ccc(o1)-c1c([nH+]cn1[C@@H]1COC2(CCCC2)C1)[*:1]
OCc1ccc(-c2c(-c3ccccc3)[nH+]cn2[C@@H]2COC3(CCCC3)C2)o1 OCc1ccc(o1)[*:1] c1ccc(cc1)-c1[nH+]cn(c1[*:1])[C@@H]1COC2(CCCC2)C1
N#Cc1c(NC(=O)c2cccs2)sc2c1CCCCC2 c1csc(c1)[*:1] N#Cc1c(NC(=O)[*:1])sc2CCCCCc21
Cc1ccc(C)c(OCc2nc(CC(=O)Nc3ccccc3C)cs2)c1 Cc1ccccc1[*:1] Cc1ccc(C)c(c1)OCc1nc(cs1)CC(=O)N[*:1]
Cc1ccc(C)c(OCc2nc(CC(=O)Nc3ccccc3C)cs2)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccccc1NC(=O)Cc1csc(CO[*:1])n1
CCCn1/c(=N/C(=O)CCc2cccnc2)[nH]c2ccccc21 c1cncc(c1)C[*:1] CCCn1/c(=N/C(=O)C[*:1])[nH]c2ccccc21
CCCn1/c(=N/C(=O)CCc2cccnc2)[nH]c2ccccc21 CCC[*:1] O=C(CCc1cccnc1)/N=c1\[nH]c2ccccc2n1[*:1]
CCCn1/c(=N/C(=O)CCc2cccnc2)[nH]c2ccccc21 c1cncc(c1)[*:1] CCCn1/c(=N/C(=O)CC[*:1])[nH]c2ccccc21
COC(=O)Cn1/c(=N/C(=O)C2=COCCO2)sc2ccccc21 COC(=O)[*:1] O=C(/N=c1\sc2ccccc2n1C[*:1])C1=COCCO1
COC(=O)Cn1/c(=N/C(=O)C2=COCCO2)sc2ccccc21 COC(=O)C[*:1] O=C(/N=c1\sc2ccccc2n1[*:1])C1=COCCO1
CN(C)C(=O)Cn1ccc2cc(NC(=O)[C@H]3C[C@@H]3c3ccco3)ccc21 CN(C)C(=O)C[*:1] O=C(Nc1ccc2c(ccn2[*:1])c1)[C@H]1C[C@@H]1c1ccco1
CN(C)C(=O)Cn1ccc2cc(NC(=O)[C@H]3C[C@@H]3c3ccco3)ccc21 CN(C)C(=O)[*:1] O=C(Nc1ccc2c(ccn2C[*:1])c1)[C@H]1C[C@@H]1c1ccco1
CN(C)C(=O)Cn1ccc2cc(NC(=O)[C@H]3C[C@@H]3c3ccco3)ccc21 c1coc(c1)[*:1] CN(C)C(=O)Cn1ccc2cc(ccc21)NC(=O)[C@H]1C[C@H]1[*:1]
CC[C@@H]1COCCN1C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O c1ccc(cc1)C[*:1] CC[C@@H]1COCCN1C(=O)N[C@@H]1CCN(CC[*:1])C1=O
CC[C@@H]1COCCN1C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O c1ccc(cc1)[*:1] CC[C@@H]1COCCN1C(=O)N[C@@H]1CCN(CCC[*:1])C1=O
CC[C@@H]1COCCN1C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O c1ccc(cc1)CC[*:1] CC[C@@H]1COCCN1C(=O)N[C@@H]1CCN(C[*:1])C1=O
Cc1cnc(CCNC(=O)N2CC[NH+](CC(C)C)CC2)s1 CC(C)C[*:1] Cc1cnc(CCNC(=O)N2CC[NH+](CC2)[*:1])s1
Cc1cnc(CCNC(=O)N2CC[NH+](CC(C)C)CC2)s1 CC(C)[*:1] Cc1cnc(CCNC(=O)N2CC[NH+](CC2)C[*:1])s1
Cc1cnc(CCNC(=O)N2CC[NH+](CC(C)C)CC2)s1 Cc1cnc(C[*:1])s1 CC(C)C[NH+]1CCN(CC1)C(=O)NC[*:1]
Cc1cnc(CCNC(=O)N2CC[NH+](CC(C)C)CC2)s1 Cc1cnc(s1)[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)NCC[*:1]
SCCCCCCSc1ncccn1 SCCC[*:1] c1cnc(nc1)SCCC[*:1]
SCCCCCCSc1ncccn1 SCC[*:1] c1cnc(nc1)SCCCC[*:1]
COc1cccc(N2CCN(C(=O)c3cccc(OC)c3OC(F)F)CC2)c1 FC(F)O[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)c1cccc(OC)c1[*:1]
COc1cccc(N2CCN(C(=O)c3cccc(OC)c3OC(F)F)CC2)c1 FC(F)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)c1cccc(OC)c1O[*:1]
COc1cccc(N2CCN(C(=O)c3cccc(OC)c3OC(F)F)CC2)c1 COc1cccc(c1)[*:1] COc1cccc(C(=O)N2CCN(CC2)[*:1])c1OC(F)F
C[C@H]([NH3+])c1cc(F)ccc1OCCCC#N N#CC[*:1] C[C@H]([NH3+])c1cc(F)ccc1OCC[*:1]
C[C@H]([NH3+])c1cc(F)ccc1OCCCC#N N#CCCC[*:1] C[C@H]([NH3+])c1cc(F)ccc1O[*:1]
C[C@H]([NH3+])c1cc(F)ccc1OCCCC#N N#CCC[*:1] C[C@H]([NH3+])c1cc(F)ccc1OC[*:1]
O=C(CSc1nnc2n1CCCCC2)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 C1CCC(CC1)[*:1] O=C(CSc1nnc2CCCCCn21)N([C@H]1CCS(=O)(=O)C1)[*:1]
C=C(C)COc1ccccc1NC(=O)c1ccc(Cl)cc1 C=C(C)C[*:1] O=C(Nc1ccccc1O[*:1])c1ccc(Cl)cc1
C=C(C)COc1ccccc1NC(=O)c1ccc(Cl)cc1 C=C(C)CO[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Cl)cc1
C=C(C)COc1ccccc1NC(=O)c1ccc(Cl)cc1 C=C(C)[*:1] O=C(Nc1ccccc1OC[*:1])c1ccc(Cl)cc1
C=C(C)COc1ccccc1NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C=C(C)COc1ccccc1NC(=O)[*:1]
CC(C)C[C@@H](CO)NC(=O)Nc1ccc2c(c1)COC2 CC(C)C[*:1] O=C(Nc1ccc2COCc2c1)N[C@H](CO)[*:1]
CC(C)C[C@@H](CO)NC(=O)Nc1ccc2c(c1)COC2 CC(C)[*:1] O=C(Nc1ccc2COCc2c1)N[C@H](CO)C[*:1]
CSC[C@H](C)N(C)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 CSC[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=O)N(C)[C@@H](C)[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)c1ccsc1 C[C@@H](C[*:1])c1ccsc1 C[C@@H](CC#N)Sc1ccccc1NC(=O)N[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)c1ccsc1 C[C@H](c1ccsc1)[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)c1ccsc1 N#CC[*:1] C[C@@H](Sc1ccccc1NC(=O)NC[C@H](C)c1ccsc1)[*:1]
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCCCC2)cc1 CC(C)[*:1] O=C(NC(=S)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCCCC2)cc1 CC(C)O[*:1] O=C(NC(=S)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCCCC2)cc1 CC(C)Oc1ccc(cc1)[*:1] O=C(c1ccccc1NC(=S)NC(=O)[*:1])N1CCCCC1
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] CC(C)Oc1ccc(cc1)C(=O)NC(=S)Nc1ccccc1[*:1]
Cc1cc(Oc2ccc(F)cc2Cl)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1cc(ccc1[*:1])Oc1ccc(F)cc1Cl
COc1ccc(OC)c(N2C[C@H](C(=O)N(C)C)CC2=O)c1 CN(C)C(=O)[*:1] COc1ccc(OC)c(c1)N1C[C@H](CC1=O)[*:1]
CCn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)ccc21 c1cc2OCOc2cc1[*:1] CCn1nnc2cc(ccc21)C(=O)N1CCC(CC1)C(=O)N[*:1]
[NH3+]C1(CC(=O)N2CCCSCC2)CCC1 [NH3+]C1(CCC1)[*:1] O=C(C[*:1])N1CCCSCC1
CCOC(=O)[C@@H](NC)c1c[nH+]cn1C(C)C CCOC(=O)[*:1] CN[C@@H](c1c[nH+]cn1C(C)C)[*:1]
CCOC(=O)[C@@H](NC)c1c[nH+]cn1C(C)C CC(C)[*:1] CCOC(=O)[C@@H](NC)c1c[nH+]cn1[*:1]
Cc1cnn(-c2ccc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2)c1 Cc1cnn(c1)[*:1] CS(=O)(=O)c1ccc(cc1)CNC(=O)c1ccc(cc1)[*:1]
Cc1cnn(-c2ccc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2)c1 CS(=O)(=O)[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)NCc1ccc(cc1)[*:1]
C[C@@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)C(=O)NC[*:1])c1ccc2OCOc2c1
C[C@@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccc2c(c1)OCO2 Fc1ccc(cc1)C[*:1] C[C@@](O)(CNC(=O)C(=O)N[*:1])c1ccc2OCOc2c1
C[C@@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)c1 Cc1cccc(c1)O[*:1] C[C@@H](CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)O[*:1]
O=c1cnc2ccccc2n1Cc1noc(C2CCCC2)n1 C1CCC(C1)[*:1] O=c1cnc2ccccc2n1Cc1noc(n1)[*:1]
Cc1nc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nc(nn1[*:1])C(=O)N[C@@H](C)c1ccc(cc1)S(C)(=O)=O
Cc1nc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nn1-c1ccc(Cl)cc1 CS(=O)(=O)[*:1] Cc1nc(nn1-c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC(=O)Nc1cccc(CNC(=O)c2cccc(OCC(F)F)n2)c1 FC(F)C[*:1] CC(=O)Nc1cccc(c1)CNC(=O)c1cccc(n1)O[*:1]
CC(=O)Nc1cccc(CNC(=O)c2cccc(OCC(F)F)n2)c1 FC(F)[*:1] CC(=O)Nc1cccc(c1)CNC(=O)c1cccc(n1)OC[*:1]
CC(=O)Nc1cccc(CNC(=O)c2cccc(OCC(F)F)n2)c1 CC(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])c1cccc(n1)OCC(F)F
CC(=O)Nc1cccc(CNC(=O)c2cccc(OCC(F)F)n2)c1 FC(F)CO[*:1] CC(=O)Nc1cccc(c1)CNC(=O)c1cccc(n1)[*:1]
Cc1ccc(CC(=O)Nc2cccc(SC(F)F)c2)cc1O FC(F)S[*:1] Cc1ccc(cc1O)CC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(CC(=O)Nc2cccc(SC(F)F)c2)cc1O FC(F)[*:1] Cc1ccc(cc1O)CC(=O)Nc1cccc(c1)S[*:1]
COc1ccc(C(=O)NC[C@@](C)(O)CSC)cc1OC CSC[*:1] COc1ccc(cc1OC)C(=O)NC[C@@](C)(O)[*:1]
CN(C(=O)c1ccncc1)C1CCN(c2ncnc3ccccc23)CC1 c1cc(ccn1)[*:1] CN(C(=O)[*:1])C1CCN(CC1)c1ncnc2ccccc12
CC(C)(C)[S@](=O)CCNC(=O)c1cc(=O)c2ccccc2o1 CC(C)(C)[*:1] O=C(NCC[S@@](=O)[*:1])c1cc(=O)c2ccccc2o1
O=S(=O)(c1cccc2cccnc12)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=S(=O)(c1cccc2cccnc12)N1CCN(CC1)C[*:1]
O=S(=O)(c1cccc2cccnc12)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(c1cccc2cccnc12)N1CCN(CC1)CC[*:1]
O=S(=O)(c1cccc2cccnc12)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=S(=O)(c1cccc2cccnc12)N1CCN(CC1)[*:1]
C#CCn1/c(=N\C(=O)c2ccn(C(C)C)n2)sc2cc(C)ccc21 C#CC[*:1] Cc1ccc2c(c1)s/c(=N/C(=O)c1ccn(n1)C(C)C)n2[*:1]
C#CCn1/c(=N\C(=O)c2ccn(C(C)C)n2)sc2cc(C)ccc21 CC(C)[*:1] C#CCn1/c(=N\C(=O)c2ccn(n2)[*:1])sc2cc(C)ccc21
C#CCn1/c(=N\C(=O)c2ccn(C(C)C)n2)sc2cc(C)ccc21 CC(C)n1ccc(n1)[*:1] C#CCn1/c(=N\C(=O)[*:1])sc2cc(C)ccc21
Cn1cc(CCNC(=O)[C@@H]2CCCO2)c2cccnc21 C1CO[C@@H](C1)[*:1] Cn1cc(CCNC(=O)[*:1])c2cccnc21
COC(=O)[C@H](CC(C)C)N[C@@H]1CCO[C@]2(CCOC2)C1 CC(C)[*:1] COC(=O)[C@H](C[*:1])N[C@@H]1CCO[C@]2(CCOC2)C1
COC(=O)[C@H](CC(C)C)N[C@@H]1CCO[C@]2(CCOC2)C1 COC(=O)[*:1] CC(C)C[C@H](N[C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
COC(=O)[C@H](CC(C)C)N[C@@H]1CCO[C@]2(CCOC2)C1 CC(C)C[*:1] COC(=O)[C@H](N[C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
O=C(C1CCCCC1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O C1CCC(CC1)[*:1] O=C(N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1c(C)nn(CCOC)c1C COCC[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1c(C)nn(c1C)[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1c(C)nn(CCOC)c1C COC[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1c(C)nn(C[*:1])c1C
CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1c(C)nn(CCOC)c1C CCC[*:1] COCCn1nc(C)c(NC(=O)N2CCC[C@H](C)[C@H]2[*:1])c1C
O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(cc1)[*:1]
O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[*:1]
CC(=O)Oc1ccccc1/C=C\C(=O)[O-] CC(=O)O[*:1] O=C([O-])/C=C\c1ccccc1[*:1]
CC(=O)Oc1ccccc1/C=C\C(=O)[O-] O=C([O-])C=C[*:1] CC(=O)Oc1ccccc1[*:1]
CC(=O)Oc1ccccc1/C=C\C(=O)[O-] O=C([O-])[*:1] CC(=O)Oc1ccccc1C=C[*:1]
O=C(NC[C@H](O)CN1CCOCC1)C(=O)Nc1cccc(O)c1 C1CN(CCO1)[*:1] O=C(NC[C@H](O)C[*:1])C(=O)Nc1cccc(O)c1
O=C(NC[C@H](O)CN1CCOCC1)C(=O)Nc1cccc(O)c1 Oc1cccc(c1)[*:1] O=C(NC[C@H](O)CN1CCOCC1)C(=O)N[*:1]
O=C(NC[C@H](O)CN1CCOCC1)C(=O)Nc1cccc(O)c1 C1CN(CCO1)C[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1cccc(O)c1
[NH3+]CC#Cc1cc(F)cc(CSC[C@H](O)CO)c1 OC[C@@H](O)CS[*:1] [NH3+]CC#Cc1cc(F)cc(c1)C[*:1]
[NH3+]CC#Cc1cc(F)cc(CSC[C@H](O)CO)c1 OC[C@@H](O)[*:1] [NH3+]CC#Cc1cc(F)cc(c1)CSC[*:1]
[NH3+]CC#Cc1cc(F)cc(CSC[C@H](O)CO)c1 OC[C@@H](O)C[*:1] [NH3+]CC#Cc1cc(F)cc(c1)CS[*:1]
[NH3+]CC#Cc1cc(F)cc(CSC[C@H](O)CO)c1 [NH3+]CC#C[*:1] OC[C@@H](O)CSCc1cc(F)cc(c1)[*:1]
CC1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 CC1CCC(CC1)[*:1] C[NH+](C)CCN(Cc1ccco1)C(=O)N[*:1]
CC1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 c1coc(c1)[*:1] CC1CCC(CC1)NC(=O)N(CC[NH+](C)C)C[*:1]
CC1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 c1coc(c1)C[*:1] CC1CCC(CC1)NC(=O)N(CC[NH+](C)C)[*:1]
C=CCNC(=O)N1CCCSC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] C=CCNC(=O)N1CCCSC[C@@H]1C[*:1]
C=CCNC(=O)N1CCCSC[C@@H]1CN1CCOCC1 C=CC[*:1] O=C(N[*:1])N1CCCSC[C@@H]1CN1CCOCC1
O=C(c1cccc(CN2C(=O)c3ccccc3C2=O)c1)N1CCC[C@@H](O)C1 O=C(N1CCC[C@@H](O)C1)[*:1] O=C1c2ccccc2C(=O)N1Cc1cccc(c1)[*:1]
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2c(Br)cccc21)c1cccnc1 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C(=O)N[C@@H]1CCc2c(Br)cccc21)c1cccnc1
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2c(Br)cccc21)c1cccnc1 c1ccc(cc1)C[*:1] O=C(N[C@H](C(=O)N[C@@H]1CCc2c(Br)cccc21)[*:1])c1cccnc1
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2c(Br)cccc21)c1cccnc1 c1cncc(c1)[*:1] O=C(N[C@@H]1CCc2c(Br)cccc21)[C@@H](Cc1ccccc1)NC(=O)[*:1]
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2c(Br)cccc21)c1cccnc1 O=C(N[*:1])c1cccnc1 O=C(N[C@@H]1CCc2c(Br)cccc21)[C@@H](Cc1ccccc1)[*:1]
CC(C)[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)[C@@H]([NH2+]CCCc1nnc2CCCCCn21)[*:1]
CC(C)[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1Cl CC(C)[*:1] Clc1ccccc1[C@H]([NH2+]CCCc1nnc2CCCCCn21)[*:1]
C[C@H](Cc1ccco1)[NH2+]C[C@H]1C=C[C@@H]([NH3+])C1 c1coc(c1)[*:1] C[C@H](C[*:1])[NH2+]C[C@H]1C=C[C@@H]([NH3+])C1
CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2CSC(=O)N2)cc1 CC(C)(C)[*:1] N#C[C@H](NC(=O)[C@H]1CSC(=O)N1)c1ccc(cc1)[*:1]
Cc1cc2cc(C(=O)Nc3cccc(-c4ncon4)c3)oc2cc1C c1nc(no1)[*:1] Cc1cc2cc(oc2cc1C)C(=O)Nc1cccc(c1)[*:1]
Cn1cc([C@H](O)CNC(=O)Nc2ccc(F)cc2OCC(F)F)cn1 Cn1cc(cn1)[*:1] O=C(NC[C@@H](O)[*:1])Nc1ccc(F)cc1OCC(F)F
Cn1cc([C@H](O)CNC(=O)Nc2ccc(F)cc2OCC(F)F)cn1 FC(F)C[*:1] Cn1cc(cn1)[C@H](O)CNC(=O)Nc1ccc(F)cc1O[*:1]
Cn1cc([C@H](O)CNC(=O)Nc2ccc(F)cc2OCC(F)F)cn1 FC(F)CO[*:1] Cn1cc(cn1)[C@H](O)CNC(=O)Nc1ccc(F)cc1[*:1]
Cn1cc([C@H](O)CNC(=O)Nc2ccc(F)cc2OCC(F)F)cn1 FC(F)[*:1] Cn1cc(cn1)[C@H](O)CNC(=O)Nc1ccc(F)cc1OC[*:1]
CCn1ccnc(N2CCC(Oc3ccc(C)cc3)CC2)c1=O Cc1ccc(cc1)[*:1] CCn1ccnc(c1=O)N1CCC(CC1)O[*:1]
COc1cc(/C=C/C(=O)Nc2ccc(N(C)C)nc2)ccc1OCC#N CN(C)[*:1] COc1cc(/C=C/C(=O)Nc2ccc(nc2)[*:1])ccc1OCC#N
COc1cc(/C=C/C(=O)Nc2ccc(N(C)C)nc2)ccc1OCC#N N#CCO[*:1] COc1cc(/C=C/C(=O)Nc2ccc(nc2)N(C)C)ccc1[*:1]
COc1cc(/C=C/C(=O)Nc2ccc(N(C)C)nc2)ccc1OCC#N N#CC[*:1] COc1cc(/C=C/C(=O)Nc2ccc(nc2)N(C)C)ccc1O[*:1]
COc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccc2ccccc2c1Br)N[*:1]
O=C(OC[C@@H]1OC(=O)C(F)(F)[C@H]1OC(=O)c1ccccc1)c1ccccc1 O=C(O[*:1])c1ccccc1 O=C(O[C@H]1[C@H](C[*:1])OC(=O)C1(F)F)c1ccccc1
O=C(OC[C@@H]1OC(=O)C(F)(F)[C@H]1OC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(O[C@H]1[C@H](COC(=O)[*:1])OC(=O)C1(F)F)c1ccccc1
O=C(OC[C@@H]1OC(=O)C(F)(F)[C@H]1OC(=O)c1ccccc1)c1ccccc1 O=C(O[*:1])c1ccccc1 O=C(OC[C@@H]1OC(=O)C(F)(F)[C@@H]1[*:1])c1ccccc1
O=C(OC[C@@H]1OC(=O)C(F)(F)[C@H]1OC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(OC[C@@H]1OC(=O)C(F)(F)[C@H]1OC(=O)[*:1])c1ccccc1
CCOC(=O)Nc1ccc(OC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)cc1 CCOC(=O)N[*:1] O=C(Oc1ccc(cc1)[*:1])[C@@]12CC[C@@H](C[C@@H]1Br)C2
Cc1cccc(-n2cc(-c3ccnc(N[C@@H](C)Cc4ccncc4)n3)cn2)c1 c1cc(ccn1)[*:1] Cc1cccc(c1)-n1cc(cn1)-c1ccnc(n1)N[C@@H](C)C[*:1]
Cc1cccc(-n2cc(-c3ccnc(N[C@@H](C)Cc4ccncc4)n3)cn2)c1 c1cc(ccn1)C[*:1] Cc1cccc(c1)-n1cc(cn1)-c1ccnc(n1)N[C@@H](C)[*:1]
Cc1cccc(-n2cc(-c3ccnc(N[C@@H](C)Cc4ccncc4)n3)cn2)c1 Cc1cccc(c1)[*:1] C[C@@H](Cc1ccncc1)Nc1nccc(n1)-c1cnn(c1)[*:1]
Cc1ccc(NC(=O)C(=O)N2CCC(OCc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)NC(=O)C(=O)N1CCC(CC1)O[*:1]
Cc1ccc(NC(=O)C(=O)N2CCC(OCc3ccccc3)CC2)cc1 c1ccc(cc1)CO[*:1] Cc1ccc(cc1)NC(=O)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(NC(=O)C(=O)N2CCC(OCc3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])C(=O)N1CCC(CC1)OCc1ccccc1
Cc1ccc(NC(=O)C(=O)N2CCC(OCc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N1CCC(CC1)OC[*:1]
COc1cc([C@H](C)Nc2nccc(C(F)(F)F)n2)cc(OC)c1OC FC(F)(F)[*:1] COc1cc(cc(OC)c1OC)[C@H](C)Nc1nccc(n1)[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1ccccc1[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1ccccc1C(=O)N[*:1]
C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC[C@@](C)(O)[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(cc1)[*:1]
Cc1cccc(NC(=O)Nc2cn(C)nc2C(N)=O)c1 NC(=O)[*:1] Cc1cccc(c1)NC(=O)Nc1cn(C)nc1[*:1]
C[C@@H]1CCCC[C@H]1N(C)C(=O)CCc1nc(-c2cccnc2)no1 c1cncc(c1)[*:1] C[C@@H]1CCCC[C@H]1N(C)C(=O)CCc1nc(no1)[*:1]
Cc1nn([C@H]2CC[C@](C#N)(NC(C)C)C2)c(C)c1C CC(C)N[*:1] Cc1nn(c(C)c1C)[C@H]1CC[C@](C#N)(C1)[*:1]
Cc1nn([C@H]2CC[C@](C#N)(NC(C)C)C2)c(C)c1C CC(C)[*:1] Cc1nn(c(C)c1C)[C@H]1CC[C@@](C#N)(C1)N[*:1]
O=C(NCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 O=C(NCc1ccccc1)[*:1] O=C(N/C(=C/c1cccc(c1)[N+](=O)[O-])[*:1])c1ccccc1
O=C(NCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 c1ccc(cc1)C[*:1] O=C(N[*:1])/C(=C\c1cccc(c1)[N+](=O)[O-])NC(=O)c1ccccc1
O=C(NCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1)/C(=C\c1cccc(c1)[N+](=O)[O-])NC(=O)[*:1]
O=C(NCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NCc1ccccc1)C(=C[*:1])NC(=O)c1ccccc1
O=C(NCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 O=[N+]([O-])[*:1] O=C(NCc1ccccc1)/C(=C\c1cccc(c1)[*:1])NC(=O)c1ccccc1
O=C(NCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[*:1])/C(=C\c1cccc(c1)[N+](=O)[O-])NC(=O)c1ccccc1
O=C(NCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(NCc1ccccc1)C(=Cc1cccc(c1)[N+](=O)[O-])[*:1]
Cc1cc(OCC(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] O=C(CO[*:1])N1CC[C@H](C1)c1cc(=O)[nH]c(n1)-c1ccncc1
Cc1cc(OCC(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc(C)c1Cl c1cc(ccn1)[*:1] Cc1cc(cc(C)c1Cl)OCC(=O)N1CC[C@H](C1)c1cc(=O)[nH]c(n1)[*:1]
Cc1cc(OCC(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc(C)c1Cl Cc1cc(cc(C)c1Cl)O[*:1] O=C(C[*:1])N1CC[C@H](C1)c1cc(=O)[nH]c(n1)-c1ccncc1
O=C(c1ccccc1)N1CCN([C@H]2CCc3ccc(F)cc32)CC1 c1ccc(cc1)[*:1] O=C(N1CCN(CC1)[C@H]1CCc2ccc(F)cc21)[*:1]
O=C(OC1(C2CC2)CC1)c1cc(Br)ccc1F C1CC1[*:1] O=C(OC1(CC1)[*:1])c1cc(Br)ccc1F
O=C(NCc1ccc(Cn2ccccc2=O)cc1)[C@@H]1C[C@H]2CC[C@@H]1O2 O=c1ccccn1[*:1] O=C(NCc1ccc(cc1)C[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
O=C(NCc1ccc(Cn2ccccc2=O)cc1)[C@@H]1C[C@H]2CC[C@@H]1O2 O=c1ccccn1C[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
O=C(c1ccn(COc2cccc(C(F)(F)F)c2)n1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(c1ccn(COc2cccc(c2)C(F)(F)F)n1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccn(COc2cccc(C(F)(F)F)c2)n1)N1CCN(C(=O)c2ccco2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C(c1ccn(CO[*:1])n1)N1CCN(CC1)C(=O)c1ccco1
O=C(c1ccn(COc2cccc(C(F)(F)F)c2)n1)N1CCN(C(=O)c2ccco2)CC1 FC(F)(F)[*:1] O=C(c1ccn(COc2cccc(c2)[*:1])n1)N1CCN(CC1)C(=O)c1ccco1
CC(C)(C)C1CCN(S(=O)(=O)N(CCC#N)Cc2cccnc2)CC1 N#CCC[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N(Cc1cccnc1)[*:1]
CC(C)(C)C1CCN(S(=O)(=O)N(CCC#N)Cc2cccnc2)CC1 N#CC[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N(Cc1cccnc1)C[*:1]
CC(C)(C)C1CCN(S(=O)(=O)N(CCC#N)Cc2cccnc2)CC1 CC(C)(C)[*:1] N#CCCN(Cc1cccnc1)S(=O)(=O)N1CCC(CC1)[*:1]
CC(C)(C)C1CCN(S(=O)(=O)N(CCC#N)Cc2cccnc2)CC1 c1cncc(c1)[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N(CCC#N)C[*:1]
CC(C)(C)C1CCN(S(=O)(=O)N(CCC#N)Cc2cccnc2)CC1 c1cncc(c1)C[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N(CCC#N)[*:1]
O=C(c1ccc[nH]1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 c1ccc(cc1)[*:1] O=C(c1ccc[nH]1)N1CC[C@@](O)([C@H]2CCCC[C@@H]21)[*:1]
O=C(c1ccc[nH]1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 c1c[nH]c(c1)[*:1] O=C(N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21)[*:1]
COc1ccc(C(=O)N(C)c2ccccc2-c2ccccc2)nn1 COc1ccc(nn1)[*:1] CN(C(=O)[*:1])c1ccccc1-c1ccccc1
COc1ccc(C(=O)N(C)c2ccccc2-c2ccccc2)nn1 c1ccc(cc1)[*:1] COc1ccc(nn1)C(=O)N(C)c1ccccc1[*:1]
Cc1cn2c(=O)c(C(=O)NC[C@@H](C)O)cnc2s1 C[C@@H](O)C[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[*:1]
Cc1cn2c(=O)c(C(=O)NC[C@@H](C)O)cnc2s1 C[C@@H](O)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NC[*:1]
CCCN(C[C@H]1CCCO1)C(=O)c1ccc(-n2cccc2)cc1 CCC[*:1] O=C(c1ccc(cc1)-n1cccc1)N(C[C@H]1CCCO1)[*:1]
CCCN(C[C@H]1CCCO1)C(=O)c1ccc(-n2cccc2)cc1 C1CO[C@H](C1)[*:1] CCCN(C[*:1])C(=O)c1ccc(cc1)-n1cccc1
CCCN(C[C@H]1CCCO1)C(=O)c1ccc(-n2cccc2)cc1 C1CO[C@H](C1)C[*:1] CCCN(C(=O)c1ccc(cc1)-n1cccc1)[*:1]
CCCN(C[C@H]1CCCO1)C(=O)c1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] CCCN(C[C@H]1CCCO1)C(=O)c1ccc(cc1)[*:1]
O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NC[C@@H]1CCC[C@H]1O c1cncc(c1)[*:1] O=C(NCc1ccc(O[*:1])c(F)c1)NC[C@@H]1CCC[C@H]1O
O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NC[C@@H]1CCC[C@H]1O c1cncc(c1)O[*:1] O=C(NCc1ccc(c(F)c1)[*:1])NC[C@@H]1CCC[C@H]1O
CC[C@@H](CO)[NH+]1CCN(CC(=O)NCc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CC[C@@H](CO)[NH+]1CCN(CC1)CC(=O)NC[*:1]
Cc1cc(C)cc(NC(=O)CSC[C@H](C)CO)c1 C[C@H](CO)CS[*:1] Cc1cc(C)cc(c1)NC(=O)C[*:1]
Cc1cc(C)cc(NC(=O)CSC[C@H](C)CO)c1 C[C@H](CO)[*:1] Cc1cc(C)cc(c1)NC(=O)CSC[*:1]
Cc1cc(C)cc(NC(=O)CSC[C@H](C)CO)c1 C[C@H](CO)C[*:1] Cc1cc(C)cc(c1)NC(=O)CS[*:1]
Cc1[nH+]n(C)c(N(C)C)c1CNC[C@H](c1ccc(F)cc1)N(C)C CN(C)[*:1] Cc1[nH+]n(C)c(c1CNC[C@H](c1ccc(F)cc1)N(C)C)[*:1]
Cc1[nH+]n(C)c(N(C)C)c1CNC[C@H](c1ccc(F)cc1)N(C)C CN(C)[*:1] Cc1[nH+]n(C)c(c1CNC[C@H](c1ccc(F)cc1)[*:1])N(C)C
Cc1[nH+]n(C)c(N(C)C)c1CNC[C@H](c1ccc(F)cc1)N(C)C Fc1ccc(cc1)[*:1] Cc1[nH+]n(C)c(c1CNC[C@H](N(C)C)[*:1])N(C)C
COc1ccc(S[C@@H](C)C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S[C@@H](C)C(=O)N1CCC(CC1)C(=O)[*:1]
COc1ccc(S[C@@H](C)C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 COc1ccc(cc1)S[*:1] C[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccccc1)[*:1]
COc1ccc(S[C@@H](C)C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)N1CCC(CC1)C(=O)c1ccccc1
COc1ccc(S[C@@H](C)C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 O=C(c1ccccc1)[*:1] COc1ccc(cc1)S[C@@H](C)C(=O)N1CCC(CC1)[*:1]
CC1(C)CC(NC(=O)CSc2n[nH]c(N/N=C/c3ccco3)n2)CC(C)(C)[NH2+]1 c1coc(c1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)CSc1n[nH]c(n1)NN=C[*:1]
CC1(C)CC(NC(=O)CSc2n[nH]c(N/N=C/c3ccco3)n2)CC(C)(C)[NH2+]1 C(=N/N[*:1])\c1ccco1 CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)CSc1n[nH]c(n1)[*:1]
Cc1ccc(F)cc1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O CC(C)[*:1] Cc1ccc(F)cc1NC(=O)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
Cc1ccc(F)cc1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O Cc1ccc(F)cc1[*:1] CC(C)[C@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
C[C@@H]1CCCN(c2ncnc(N(CC#N)CC#N)c2N)C1 N#CC[*:1] C[C@@H]1CCCN(C1)c1ncnc(c1N)N(CC#N)[*:1]
C[C@@H]1CCCN(c2ncnc(N(CC#N)CC#N)c2N)C1 N#CCN(CC#N)[*:1] C[C@@H]1CCCN(C1)c1ncnc(c1N)[*:1]
C[C@@H]1CCCN(c2ncnc(N(CC#N)CC#N)c2N)C1 C[C@@H]1CCCN(C1)[*:1] N#CCN(CC#N)c1ncnc(c1N)[*:1]
CN(C(=O)[C@H]1C[C@@H]1c1ccco1)S(C)(=O)=O c1coc(c1)[*:1] CN(C(=O)[C@H]1C[C@H]1[*:1])S(C)(=O)=O
O=C(NC[C@H]1CC=CCC1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(NC[C@H]1CC=CCC1)N1CCOC[C@@H]1[*:1]
c1ccc(-c2ncn(Cc3ccc4c(c3)OCCCO4)c2[C@H]2CCOC2)cc1 c1ccc(cc1)[*:1] c1cc2OCCCOc2cc1Cn1cnc(c1[C@H]1CCOC1)[*:1]
Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCCC1 CC(C)(C)S[*:1] Cc1cc(ccc1NC(=O)N1CCCC1)[*:1]
Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCCC1 CC(C)(C)[*:1] Cc1cc(ccc1NC(=O)N1CCCC1)S[*:1]
CCSc1ccc(C(=O)Nc2nnc(-c3ccc(S(=O)(=O)CC)cc3)o2)cc1 CCS(=O)(=O)[*:1] CCSc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(cc1)[*:1]
CCSc1ccc(C(=O)Nc2nnc(-c3ccc(S(=O)(=O)CC)cc3)o2)cc1 CCS[*:1] CCS(=O)(=O)c1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
CCSc1ccc(C(=O)Nc2nnc(-c3ccc(S(=O)(=O)CC)cc3)o2)cc1 CCSc1ccc(cc1)[*:1] CCS(=O)(=O)c1ccc(cc1)-c1nnc(NC(=O)[*:1])o1
O=C1C(/C=C(\[O-])c2ccccc2)=NC(=S)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1C(/C=C(\[O-])c2ccccc2)=NC(=S)N1[*:1]
O=C1C(/C=C(\[O-])c2ccccc2)=NC(=S)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1C(/C=C(\[O-])[*:1])=NC(=S)N1c1ccccc1
CC(C)[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)CO C[C@@H](CO)[*:1] CC(C)[C@H](C)NC(=O)N[C@@H](C)[*:1]
CC(C)[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)CO CC(C)[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])[C@@H](C)CO
CC(C)[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)CO CC(C)[C@H](C)[*:1] C[C@H](NC(=O)N[*:1])[C@@H](C)CO
Cc1cccc(-n2nnnc2SCC(=O)c2ccc(F)cc2)c1C Cc1cccc(c1C)[*:1] O=C(CSc1nnnn1[*:1])c1ccc(F)cc1
Cc1cccc(-n2nnnc2SCC(=O)c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(c1C)-n1nnnc1SCC(=O)[*:1]
C[C@@H](CC1CC1)N1CCC(=O)NC1=O C1CC1C[*:1] C[C@@H](N1CCC(=O)NC1=O)[*:1]
C[C@@H](CC1CC1)N1CCC(=O)NC1=O C1CC1[*:1] C[C@@H](C[*:1])N1CCC(=O)NC1=O
Cn1ccnc1SCCNc1cc(N2CCOCC2)ncn1 C1CN(CCO1)[*:1] Cn1ccnc1SCCNc1cc(ncn1)[*:1]
Cn1ccnc1SCCNc1cc(N2CCOCC2)ncn1 Cn1ccnc1S[*:1] c1nc(cc(n1)N1CCOCC1)NCC[*:1]
Cn1ccnc1SCCNc1cc(N2CCOCC2)ncn1 Cn1ccnc1[*:1] c1nc(cc(n1)N1CCOCC1)NCCS[*:1]
CC[C@H](C)C[NH2+]CC[C@H]1CSCCN1 CC[C@H](C)[*:1] C1CSC[C@H](CC[NH2+]C[*:1])N1
Cc1ccc(F)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] Cc1ccc(F)cc1NC(=O)c1n[nH]c2ccc(cc12)[*:1]
COc1ccc(CC(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(C)cc1[*:1]
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC(=O)Nc2ccccc21 Clc1cccc(c1)[*:1] Cc1nc(sc1C(=O)N1CC(=O)Nc2ccccc21)[*:1]
COc1ccc([C@H](C)N(C)C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)N[C@@H]1C[C@@H](C)N(C1)c1ccccc1)[*:1]
COc1ccc([C@H](C)N(C)C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)N[C@@H]1C[C@@H](C)N(C1)[*:1]
Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cc(C)n(C)n2)c(C(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cc(C)n(C)n2)c(c1)C(=O)[*:1]
Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cc(C)n(C)n2)c(C(=O)c2ccccc2)c1 O=C(c1ccccc1)[*:1] Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cc(C)n(C)n2)c(c1)[*:1]
Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cc(C)n(C)n2)c(C(=O)c2ccccc2)c1 Cc1cc(nn1C)C(=O)N[*:1] Cc1ccc(NC(=O)c2ccccc2[*:1])c(c1)C(=O)c1ccccc1
Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cc(C)n(C)n2)c(C(=O)c2ccccc2)c1 Cc1cc(nn1C)[*:1] Cc1ccc(NC(=O)c2ccccc2NC(=O)[*:1])c(c1)C(=O)c1ccccc1
C(=C/c1ccccc1)\CN1CCC2=NN=C(c3ccc4c(c3)OCO4)[C@@H]2C1 c1ccc(cc1)[*:1] C(=C[*:1])CN1CCC2=NN=C(c3ccc4OCOc4c3)[C@@H]2C1
C(=C/c1ccccc1)\CN1CCC2=NN=C(c3ccc4c(c3)OCO4)[C@@H]2C1 c1cc2OCOc2cc1[*:1] C(=C/c1ccccc1)\CN1CCC2=NN=C([C@@H]2C1)[*:1]
C(=C/c1ccccc1)\CN1CCC2=NN=C(c3ccc4c(c3)OCO4)[C@@H]2C1 C(=C[*:1])c1ccccc1 c1cc2OCOc2cc1C1=NN=C2CCN(C[C@H]21)C[*:1]
C(=C/c1ccccc1)\CN1CCC2=NN=C(c3ccc4c(c3)OCO4)[C@@H]2C1 C(=C/c1ccccc1)\C[*:1] c1cc2OCOc2cc1C1=NN=C2CCN(C[C@H]21)[*:1]
C[C@@H](C#N)CNC(=O)Nc1ccn(C)n1 C[C@@H](C#N)C[*:1] Cn1ccc(n1)NC(=O)N[*:1]
C[C@@H](C#N)CNC(=O)Nc1ccn(C)n1 C[C@@H](C#N)[*:1] Cn1ccc(n1)NC(=O)NC[*:1]
COC[C@@H](C)NC(=O)C(=O)Nc1cccc(C)c1 COC[C@@H](C)[*:1] Cc1cccc(c1)NC(=O)C(=O)N[*:1]
COC[C@@H](C)NC(=O)C(=O)Nc1cccc(C)c1 COC[*:1] Cc1cccc(c1)NC(=O)C(=O)N[C@H](C)[*:1]
Cc1cccc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1 Cc1cccc(n1)[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)[*:1]
Cc1cccc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1 C[S@](=O)[*:1] Cc1cccc(n1)C(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccnn2C(C)C)c2ccccc12 CC(C)[*:1] CCOc1ccc(c2ccccc12)S(=O)(=O)Nc1ccnn1[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccnn2C(C)C)c2ccccc12 CC(C)n1nccc1[*:1] CCOc1ccc(c2ccccc12)S(=O)(=O)N[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccnn2C(C)C)c2ccccc12 CCO[*:1] CC(C)n1nccc1NS(=O)(=O)c1ccc(c2ccccc12)[*:1]
CCC(=O)N1CCN(C(=O)c2ccc(N3CCCOC3=O)cc2)CC1 O=C1OCCCN1[*:1] CCC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 CC(=O)N[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])Nc1c(F)cccc1F
CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 Fc1cccc(F)c1[*:1] CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N[*:1]
CCc1nn(C)c(OC)c1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 O=[N+]([O-])[*:1] CCc1nn(C)c(OC)c1CNC(=O)c1ccc(c(O)c1)[*:1]
CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCCO1 CC(C)[*:1] CCOc1ccccc1[C@H](C[*:1])NC(=O)[C@H]1CCCO1
CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCCO1 CCO[*:1] CC(C)C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1[*:1]
CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCOc1ccccc1[C@H](CC(C)C)NC(=O)[*:1]
CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCCO1 CC(C)C[*:1] CCOc1ccccc1[C@H](NC(=O)[C@H]1CCCO1)[*:1]
O=C(NCCn1c(=O)[nH]c2ccccc21)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(NCCn1c(=O)[nH]c2ccccc21)c1nc(n2ccccc12)[*:1]
Cc1csc(Nc2ccc(NC(=O)CN3CSCC3=O)cc2)n1 Cc1csc(n1)[*:1] O=C(CN1CSCC1=O)Nc1ccc(cc1)N[*:1]
Cc1csc(Nc2ccc(NC(=O)CN3CSCC3=O)cc2)n1 O=C1CSCN1C[*:1] Cc1csc(n1)Nc1ccc(cc1)NC(=O)[*:1]
Cc1csc(Nc2ccc(NC(=O)CN3CSCC3=O)cc2)n1 Cc1csc(n1)N[*:1] O=C(CN1CSCC1=O)Nc1ccc(cc1)[*:1]
Cc1csc(Nc2ccc(NC(=O)CN3CSCC3=O)cc2)n1 O=C1CSCN1[*:1] Cc1csc(n1)Nc1ccc(cc1)NC(=O)C[*:1]
COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1F Fc1ccc(cc1)[*:1] COc1ccc(cc1F)NC(=O)c1cc([nH]n1)[*:1]
Cc1ccccc1OCCCC(=O)N1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] Cc1ccccc1OCCCC(=O)N1CCN(CC1)[*:1]
Cc1ccccc1OCCCC(=O)N1CCN(c2ccc(Cl)cn2)CC1 Cc1ccccc1O[*:1] O=C(CCC[*:1])N1CCN(CC1)c1ccc(Cl)cn1
Cc1ccccc1OCCCC(=O)N1CCN(c2ccc(Cl)cn2)CC1 Cc1ccccc1[*:1] O=C(CCCO[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=C1CNC[C@@H](C(=O)N2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)N1 c1ccc(cc1)[*:1] O=C1CNC[C@H](N1)C(=O)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
O=C1CNC[C@@H](C(=O)N2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)N1 c1ccc(cc1)C[*:1] O=C1CNC[C@H](N1)C(=O)N1CCC2(CCC(=O)N(C2)[*:1])CC1
O=C(NCCn1nc(-c2ccccc2)ccc1=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])NCc1ccccc1
O=C(NCCn1nc(-c2ccccc2)ccc1=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCn1nc(ccc1=O)-c1ccccc1)NC[*:1]
O=C(NCCn1nc(-c2ccccc2)ccc1=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCCn1nc(ccc1=O)-c1ccccc1)N[*:1]
CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)[C@H]2C[C@H]2C1=O Clc1ccc(s1)[*:1] CN(C[*:1])C(=O)CN1C(=O)[C@H]2C[C@H]2C1=O
O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1 Brc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(c1)[*:1]
COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(SC)c2)cn1C CSc1cccc(c1)[*:1] COC(=O)c1cc(cn1C)S(=O)(=O)N1CCC[C@@H]1C(=O)N[*:1]
COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(SC)c2)cn1C COC(=O)[*:1] CSc1cccc(c1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(n(C)c1)[*:1]
CCCNC(=O)c1cccc(C(=O)O[C@@H](C)[C@H]2CCCO2)c1 CCC[*:1] C[C@H](OC(=O)c1cccc(c1)C(=O)N[*:1])[C@H]1CCCO1
CCCNC(=O)c1cccc(C(=O)O[C@@H](C)[C@H]2CCCO2)c1 CCCNC(=O)[*:1] C[C@H](OC(=O)c1cccc(c1)[*:1])[C@H]1CCCO1
CCc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 CCc1ccccc1[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)NC(=O)N[*:1]
CCc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 COc1cccc(c1)[*:1] CCc1ccccc1NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H]1CN(C(=O)[C@@H]2CSc3ccccc32)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)[C@@H]1CSc2ccccc21
Cc1cc2nc(COC(=O)c3cccs3)cc(=O)n2o1 c1csc(c1)[*:1] Cc1cc2nc(cc(=O)n2o1)COC(=O)[*:1]
COc1ccc(OC)c(CN2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CN1CC[NH+](CC1)[C@@H](C)[*:1]
N#Cc1nc(/C=C/c2ccccc2)oc1NCCCn1ccnc1 c1cn(cn1)[*:1] N#Cc1nc(/C=C/c2ccccc2)oc1NCCC[*:1]
N#Cc1nc(/C=C/c2ccccc2)oc1NCCCn1ccnc1 C(=C[*:1])c1ccccc1 N#Cc1nc(oc1NCCCn1ccnc1)[*:1]
N#Cc1nc(/C=C/c2ccccc2)oc1NCCCn1ccnc1 c1ccc(cc1)[*:1] N#Cc1nc(C=C[*:1])oc1NCCCn1ccnc1
N#Cc1nc(/C=C/c2ccccc2)oc1NCCCn1ccnc1 c1cn(cn1)C[*:1] N#Cc1nc(/C=C/c2ccccc2)oc1NCC[*:1]
N#Cc1nc(/C=C/c2ccccc2)oc1NCCCn1ccnc1 c1cn(cn1)CC[*:1] N#Cc1nc(/C=C/c2ccccc2)oc1NC[*:1]
N#Cc1nc(/C=C/c2ccccc2)oc1NCCCn1ccnc1 c1cn(cn1)CCC[*:1] N#Cc1nc(/C=C/c2ccccc2)oc1N[*:1]
O=C(N[C@H](c1cccs1)C1CCCCC1)c1cc2n(n1)CC[NH2+]C2 C1CCC(CC1)[*:1] O=C(N[C@H](c1cccs1)[*:1])c1cc2C[NH2+]CCn2n1
O=C(N[C@H](c1cccs1)C1CCCCC1)c1cc2n(n1)CC[NH2+]C2 c1csc(c1)[*:1] O=C(N[C@H](C1CCCCC1)[*:1])c1cc2C[NH2+]CCn2n1
Cc1cc(NC(=O)Cc2ccc(Cl)cc2)c(C(N)=O)cc1F Clc1ccc(cc1)[*:1] Cc1cc(NC(=O)C[*:1])c(cc1F)C(N)=O
Cc1cc(NC(=O)Cc2ccc(Cl)cc2)c(C(N)=O)cc1F NC(=O)[*:1] Cc1cc(NC(=O)Cc2ccc(Cl)cc2)c(cc1F)[*:1]
CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2[O-])C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@]2(CC[C@@H]2[O-])C1
CC[C@H]1CN(C(=O)c2cnc3sccn3c2=O)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@H]1[*:1])C(=O)c1cnc2sccn2c1=O
CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(C)sc2C)c1 Cc1nc(c(C)s1)[*:1] CSc1ccc(c(c1)C(=O)NC[*:1])[N+](=O)[O-]
CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(C)sc2C)c1 O=[N+]([O-])[*:1] CSc1ccc(c(c1)C(=O)NCc1nc(C)sc1C)[*:1]
C/C=C/CCNC(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] C/C=C/CCNC(=O)C(=O)Nc1cccn(C[*:1])c1=O
C/C=C/CCNC(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O C/C=C/CC[*:1] O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)C(=O)N[*:1]
C/C=C/CCNC(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Fc1ccc(cc1)C[*:1] C/C=C/CCNC(=O)C(=O)Nc1cccn(c1=O)[*:1]
C/C=C/CCNC(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O C/C=C/C[*:1] O=C(NC[*:1])C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O
C/C=C/CCNC(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O CC=C[*:1] O=C(NCC[*:1])C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O
Cc1noc([C@@H]2CCCN2C(=O)c2cccc(N(C)C)c2)n1 CN(C)[*:1] Cc1noc(n1)[C@@H]1CCCN1C(=O)c1cccc(c1)[*:1]
Cc1noc([C@@H]2CCCN2C(=O)c2cccc(N(C)C)c2)n1 Cc1noc(n1)[*:1] CN(C)c1cccc(c1)C(=O)N1CCC[C@H]1[*:1]
CCN(Cc1ccccn1)C(=O)NCc1ccccc1C[NH+](C)C c1ccc(C[*:1])nc1 CCN(C(=O)NCc1ccccc1C[NH+](C)C)[*:1]
CCN(Cc1ccccn1)C(=O)NCc1ccccc1C[NH+](C)C c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)NCc1ccccc1C[NH+](C)C
CC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@@H](C)C3)cc1 c1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nc2C[C@H](C)Sc2c(=O)n1[*:1]
CC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@@H](C)C3)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nc2C[C@H](C)Sc2c(=O)n1C[*:1]
CC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@@H](C)C3)cc1 CC(=O)[*:1] C[C@H]1Cc2nc(SCC(=O)Nc3ccc(cc3)[*:1])n(Cc3ccccc3)c(=O)c2S1
CC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@@H](C)C3)cc1 CC(=O)c1ccc(cc1)[*:1] C[C@H]1Cc2nc(SCC(=O)N[*:1])n(Cc3ccccc3)c(=O)c2S1
CC[C@@H](C)[C@H]1N=NC2=C1CN(C(=O)[C@@H]1CN3CCc4cccc(c43)C1=O)CC2 CC[C@@H](C)[*:1] O=C1c2cccc3CCN(C[C@H]1C(=O)N1CCC4N=N[C@@H](C=4C1)[*:1])c32
CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccccc2Cl)c1 Clc1ccccc1[*:1] CCCC(=O)Nc1ccc(Cl)c(c1)NC(=O)CO[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccccc2Cl)c1 Clc1ccccc1O[*:1] CCCC(=O)Nc1ccc(Cl)c(c1)NC(=O)C[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccccc2Cl)c1 CCC[*:1] O=C(COc1ccccc1Cl)Nc1cc(ccc1Cl)NC(=O)[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccccc2Cl)c1 CCCC(=O)N[*:1] O=C(COc1ccccc1Cl)Nc1cc(ccc1Cl)[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)N(C[C@@H](O)c2ccccc2)C2CC2)CC1=O O[C@H](C[*:1])c1ccccc1 COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)N(C1CC1)[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)N(C[C@@H](O)c2ccccc2)C2CC2)CC1=O O[C@@H](c1ccccc1)[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)N(C[*:1])C1CC1
COc1ccc(C)cc1N1C[C@@H](C(=O)N(C[C@@H](O)c2ccccc2)C2CC2)CC1=O COc1ccc(C)cc1[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N(C[C@@H](O)c1ccccc1)C1CC1
COc1ccc(C)cc1N1C[C@@H](C(=O)N(C[C@@H](O)c2ccccc2)C2CC2)CC1=O c1ccc(cc1)[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)N(C[C@@H](O)[*:1])C1CC1
COc1ccc(C)cc1N1C[C@@H](C(=O)N(C[C@@H](O)c2ccccc2)C2CC2)CC1=O C1CC1[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)N(C[C@@H](O)c1ccccc1)[*:1]
CN(C[C@H](O)CN1CCOCC1)c1ccc(F)cc1[N+](=O)[O-] C1CN(CCO1)C[*:1] CN(C[C@H](O)[*:1])c1ccc(F)cc1[N+](=O)[O-]
CN(C[C@H](O)CN1CCOCC1)c1ccc(F)cc1[N+](=O)[O-] C1CN(CCO1)[*:1] CN(C[C@H](O)C[*:1])c1ccc(F)cc1[N+](=O)[O-]
CN(C[C@H](O)CN1CCOCC1)c1ccc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C[C@H](O)CN1CCOCC1)c1ccc(F)cc1[*:1]
O=C([O-])c1ncccc1-c1cc(Cl)cc(Cl)c1 O=C([O-])[*:1] Clc1cc(Cl)cc(c1)-c1cccnc1[*:1]
CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccccc1Cl Clc1ccccc1[*:1] CN(Cc1nc(cs1)C(F)(F)F)C(=O)[*:1]
CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccccc1Cl FC(F)(F)[*:1] CN(Cc1nc(cs1)[*:1])C(=O)c1ccccc1Cl
CCCn1ccc2c(cnc3nc(C4CCCCC4)nn32)c1=O CCC[*:1] O=c1c2cnc3nc(nn3c2ccn1[*:1])C1CCCCC1
CCCn1ccc2c(cnc3nc(C4CCCCC4)nn32)c1=O C1CCC(CC1)[*:1] CCCn1ccc2c(cnc3nc(nn32)[*:1])c1=O
O=C(NCC1=CCC[NH+](Cc2cc(F)ccc2Cl)C1)c1ccco1 O=C(N[*:1])c1ccco1 Fc1ccc(Cl)c(c1)C[NH+]1CCC=C(C1)C[*:1]
O=C(NCC1=CCC[NH+](Cc2cc(F)ccc2Cl)C1)c1ccco1 Fc1ccc(Cl)c(c1)[*:1] O=C(NCC1=CCC[NH+](C1)C[*:1])c1ccco1
O=C(NCC1=CCC[NH+](Cc2cc(F)ccc2Cl)C1)c1ccco1 c1coc(c1)[*:1] O=C(NCC1=CCC[NH+](C1)Cc1cc(F)ccc1Cl)[*:1]
COc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)cc1O Clc1cccc(c1)[*:1] COc1ccc(cc1O)[C@@H]1CC(=O)Nc2c1cnn2[*:1]
CCC(CC)N(CCOC)C(=O)C1C[C@@H](C)O[C@H](C)C1 CCC(CC)[*:1] COCCN(C(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
CCC(CC)N(CCOC)C(=O)C1C[C@@H](C)O[C@H](C)C1 COC[*:1] CCC(CC)N(C[*:1])C(=O)C1C[C@@H](C)O[C@H](C)C1
CCC(CC)N(CCOC)C(=O)C1C[C@@H](C)O[C@H](C)C1 COCC[*:1] CCC(CC)N(C(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
COCCCOc1ccc(Br)cc1N COC[*:1] Nc1cc(Br)ccc1OCC[*:1]
COCCCOc1ccc(Br)cc1N COCC[*:1] Nc1cc(Br)ccc1OC[*:1]
Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cc1cc(O)c(cc1NC(=O)[C@H]1C[C@@H]1[*:1])C(C)C
Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F CC(C)[*:1] Cc1cc(O)c(cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)[*:1]
CCNc1ncc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)cn1 C1CC(C1)C[*:1] CCNc1ncc(cn1)C(=O)N(C[C@H]1CCCO1)[*:1]
CCNc1ncc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)cn1 C1CC(C1)[*:1] CCNc1ncc(cn1)C(=O)N(C[C@H]1CCCO1)C[*:1]
CCNc1ncc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)cn1 C1CO[C@H](C1)C[*:1] CCNc1ncc(cn1)C(=O)N(CC1CCC1)[*:1]
CCNc1ncc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)cn1 C1CO[C@H](C1)[*:1] CCNc1ncc(cn1)C(=O)N(CC1CCC1)C[*:1]
CCNc1ncc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)cn1 CCN[*:1] O=C(c1cnc(nc1)[*:1])N(CC1CCC1)C[C@H]1CCCO1
CC1(C)CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1F Fc1ccccc1[*:1] CC1(C)CCCC[C@H]1[NH2+]C[C@H](O)CO[*:1]
Cc1ccc(/C=N\NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)o1 Cc1ccc(o1)[*:1] O=C(NN=C[*:1])c1ccn(Cc2ccc(Cl)cc2Cl)n1
Cc1ccc(/C=N\NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)o1 Clc1ccc(c(Cl)c1)[*:1] Cc1ccc(/C=N\NC(=O)c2ccn(C[*:1])n2)o1
Cc1cc2cc(C(=O)Nc3cn(C)nc3-c3ccccc3)oc2cc1C c1ccc(cc1)[*:1] Cc1cc2cc(oc2cc1C)C(=O)Nc1cn(C)nc1[*:1]
CCCCOCc1cc(F)cc(Br)c1 CCC[*:1] Fc1cc(Br)cc(c1)COC[*:1]
CCCCOCc1cc(F)cc(Br)c1 CCCC[*:1] Fc1cc(Br)cc(c1)CO[*:1]
Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@H]3CCC(C)(C)C[C@@H]3C)cc2)o1 Cc1nnc(o1)[*:1] C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
COCC/N=c1\scc(C)n1/N=C/c1ccco1 COCC[*:1] Cc1csc(=N[*:1])n1/N=C/c1ccco1
COCC/N=c1\scc(C)n1/N=C/c1ccco1 c1coc(c1)[*:1] COCC/N=c1\scc(C)n1N=C[*:1]
COCC/N=c1\scc(C)n1/N=C/c1ccco1 COC[*:1] Cc1cs/c(=N\C[*:1])n1/N=C/c1ccco1
Cc1nn(C)c(C)c1CNC(=O)c1ccc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] Cc1nn(C)c(C)c1CNC(=O)c1ccc(nc1)[*:1]
Cc1nn(C)c(C)c1CNC(=O)c1ccc(N2CCOCC2)nc1 Cc1nn(C)c(C)c1[*:1] O=C(NC[*:1])c1ccc(nc1)N1CCOCC1
Cc1cc(C)cc(NC(=O)[C@H](C)Nc2ccn(C)n2)c1 Cn1ccc(n1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](C)N[*:1]
O=S(=O)(NCCCn1ccnc1)c1cccc(Cl)c1F c1cn(cn1)[*:1] O=S(=O)(NCCC[*:1])c1cccc(Cl)c1F
O=S(=O)(NCCCn1ccnc1)c1cccc(Cl)c1F c1cn(cn1)C[*:1] O=S(=O)(NCC[*:1])c1cccc(Cl)c1F
CO[C@]1(C)C[C@H](NC(=O)C(=O)Nc2cccc(N(C)C(C)C)c2)C1(C)C CC(C)[*:1] CO[C@]1(C)C[C@H](NC(=O)C(=O)Nc2cccc(c2)N(C)[*:1])C1(C)C
CO[C@]1(C)C[C@H](NC(=O)C(=O)Nc2cccc(N(C)C(C)C)c2)C1(C)C CC(C)N(C)[*:1] CO[C@]1(C)C[C@H](NC(=O)C(=O)Nc2cccc(c2)[*:1])C1(C)C
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NCC(C)(C)C[C@@H](C)O c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)NCC(C)(C)C[C@@H](C)O)[*:1]
CN(Cc1ccc([S@](C)=O)cc1)C(=O)Cc1ccc[nH]1 C[S@](=O)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)Cc1ccc[nH]1
CN(Cc1ccc([S@](C)=O)cc1)C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] CN(Cc1ccc(cc1)[S@](C)=O)C(=O)[*:1]
CN(Cc1ccc([S@](C)=O)cc1)C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] CN(Cc1ccc(cc1)[S@](C)=O)C(=O)C[*:1]
CCc1ccc(N/C([O-])=C(\C#N)C(=O)[C@@H](C)Cc2cccs2)cc1 c1csc(c1)[*:1] CCc1ccc(cc1)N/C([O-])=C(\C#N)C(=O)[C@@H](C)C[*:1]
CCc1ccc(N/C([O-])=C(\C#N)C(=O)[C@@H](C)Cc2cccs2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](Cc1cccs1)C(=O)/C(C#N)=C(\[O-])N[*:1]
CCc1ccc(N/C([O-])=C(\C#N)C(=O)[C@@H](C)Cc2cccs2)cc1 c1csc(c1)C[*:1] CCc1ccc(cc1)N/C([O-])=C(\C#N)C(=O)[C@@H](C)[*:1]
CC(=O)NNc1cc(N(C)C)nc(N(C)C)n1 CN(C)[*:1] CC(=O)NNc1cc(nc(n1)N(C)C)[*:1]
CC(=O)NNc1cc(N(C)C)nc(N(C)C)n1 CC(=O)NN[*:1] CN(C)c1cc(nc(n1)N(C)C)[*:1]
CC(=O)NNc1cc(N(C)C)nc(N(C)C)n1 CN(C)[*:1] CC(=O)NNc1cc(nc(n1)[*:1])N(C)C
O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)N1CCCc2ccccc21 Clc1cccc(c1)[*:1] O=C(Cn1cnc2c(nnn2[*:1])c1=O)N1CCCc2ccccc21
C=CCN1C(=[NH2+])[C@@H](c2ccc(Br)c(C)c2)[NH+]=C1C1CC1 C1CC1[*:1] C=CCN1C(=[NH2+])[C@H]([NH+]=C1[*:1])c1ccc(Br)c(C)c1
C=CCN1C(=[NH2+])[C@@H](c2ccc(Br)c(C)c2)[NH+]=C1C1CC1 C=CC[*:1] Cc1cc(ccc1Br)[C@H]1[NH+]=C(C2CC2)N(C1=[NH2+])[*:1]
CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC[*:1]
CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 Cc1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 CC(=O)N[*:1] Cc1ccc(cc1)CNC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)c1ccccc1NC(=O)[*:1]
O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCN(c2ccc(Cl)cn2)CC1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCN(C1)[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)N1CCN(CC1)[*:1]
C[C@@H](NC(=O)CSc1nnc(C2CC2)o1)c1ccc2ccccc2c1 C1CC1[*:1] C[C@@H](NC(=O)CSc1nnc(o1)[*:1])c1ccc2ccccc2c1
C[C@@H](NC(=O)CSc1nnc(C2CC2)o1)c1ccc2ccccc2c1 C1CC1c1nnc(o1)[*:1] C[C@@H](NC(=O)CS[*:1])c1ccc2ccccc2c1
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N[C@H]3C[C@@H]3C)C2)nc1 Cc1ccc(nc1)[*:1] C[C@H]1C[C@@H]1NC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 CNC(=O)NC(=O)[*:1] C[C@H]([NH2+]CC1(CCOCC1)c1ccc2OCOc2c1)[*:1]
CC[NH+]1CCC(n2nccc2NC(=O)c2cccc(C)n2)CC1 Cc1cccc(n1)[*:1] CC[NH+]1CCC(CC1)n1nccc1NC(=O)[*:1]
Cc1cccc2c(N3CCCC3)[nH+]c(CNC(=O)CC[C@H]3[NH+]=c4ccc(F)cc4=[NH+]3)nc12 C1CCN(C1)[*:1] Cc1cccc2c([nH+]c(CNC(=O)CC[C@H]3[NH+]=c4ccc(F)cc4=[NH+]3)nc12)[*:1]
CCCNC(=O)[C@H]1C=C[C@@H]([NH3+])C1 CCC[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N[*:1]
O=C(O[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-n2ccnn2)cc1 FC(F)(F)[*:1] O=C(O[C@H]1CCC[C@@H](C1)[*:1])c1ccc(cc1)-n1ccnn1
O=C(O[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(O[C@H]1CCC[C@H](C1)C(F)(F)F)c1ccc(cc1)[*:1]
O=C(COC1CCCCC1)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 C1CCC(CC1)OC[*:1] O=C1C[C@H](CNC(=O)[*:1])CN1Cc1ccccc1
O=C(COC1CCCCC1)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 C1CCC(CC1)O[*:1] O=C(C[*:1])NC[C@H]1CC(=O)N(Cc2ccccc2)C1
O=C(COC1CCCCC1)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 C1CCC(CC1)[*:1] O=C(CO[*:1])NC[C@H]1CC(=O)N(Cc2ccccc2)C1
O=C(COC1CCCCC1)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(COC1CCCCC1)NC[C@H]1CC(=O)N(C1)[*:1]
O=C(COC1CCCCC1)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(COC1CCCCC1)NC[C@H]1CC(=O)N(C1)C[*:1]
COc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1[N-]S(=O)(=O)C=C[*:1])C(=O)N(C)C
COc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1)[*:1]
COC(=O)c1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 COC(=O)[*:1] Cc1cc(C)c(NS(=O)(=O)c2ccc(cc2)[*:1])c(C)c1
C#CC[C@@H](OC(=O)c1cccc(Br)c1)c1ccccn1 c1ccc(nc1)[*:1] C#CC[C@@H](OC(=O)c1cccc(Br)c1)[*:1]
C#CC[C@@H](OC(=O)c1cccc(Br)c1)c1ccccn1 C#CC[*:1] O=C(O[C@@H](c1ccccn1)[*:1])c1cccc(Br)c1
CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1 CC(C)C[*:1] C[C@H]([NH2+]CC1(CCCCC1)N1CCSCC1)C(=O)NC(=O)N[*:1]
CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1 C1CN(CCS1)[*:1] CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(CCCCC1)[*:1]
CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1 CC(C)[*:1] C[C@H]([NH2+]CC1(CCCCC1)N1CCSCC1)C(=O)NC(=O)NC[*:1]
c1ccc(-c2cc(-c3nc(C4CC4)no3)[nH]n2)cc1 c1ccc(cc1)[*:1] c1c(n[nH]c1-c1nc(no1)C1CC1)[*:1]
c1ccc(-c2cc(-c3nc(C4CC4)no3)[nH]n2)cc1 C1CC1[*:1] c1ccc(cc1)-c1cc([nH]n1)-c1nc(no1)[*:1]
Cc1ccc(OCC(=O)N/N=C/c2ccccc2C(F)(F)F)c(C)c1 FC(F)(F)[*:1] Cc1ccc(OCC(=O)N/N=C/c2ccccc2[*:1])c(C)c1
Cc1ccc(OCC(=O)N/N=C/c2ccccc2C(F)(F)F)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CO[*:1])N/N=C/c1ccccc1C(F)(F)F
CCN(C[C@@H](C)C#N)C(=O)COc1cccnc1[N+](=O)[O-] C[C@@H](C#N)C[*:1] CCN(C(=O)COc1cccnc1[N+](=O)[O-])[*:1]
CCN(C[C@@H](C)C#N)C(=O)COc1cccnc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(C[C@@H](C)C#N)C(=O)COc1cccnc1[*:1]
O=C(NNc1ccccc1C(F)(F)F)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(NNc1ccccc1C(F)(F)F)c1nc(n2ccccc12)[*:1]
O=C(NNc1ccccc1C(F)(F)F)c1nc(C2CC2)n2ccccc12 FC(F)(F)[*:1] O=C(NNc1ccccc1[*:1])c1nc(C2CC2)n2ccccc12
CCc1[nH]nc(-c2ccccc2OC)c1NC(=O)C1CCCCC1 COc1ccccc1[*:1] CCc1[nH]nc(c1NC(=O)C1CCCCC1)[*:1]
CCc1[nH]nc(-c2ccccc2OC)c1NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] CCc1[nH]nc(-c2ccccc2OC)c1NC(=O)[*:1]
O=C(CCOCc1ccccc1)NCc1cc2ccccc2o1 c1ccc(cc1)C[*:1] O=C(CCO[*:1])NCc1cc2ccccc2o1
O=C(CCOCc1ccccc1)NCc1cc2ccccc2o1 c1ccc(cc1)[*:1] O=C(CCOC[*:1])NCc1cc2ccccc2o1
CC(=O)Oc1ccc2c(c1)CCCC2=O CC(=O)O[*:1] O=C1CCCc2cc(ccc21)[*:1]
CN(Cc1ncnn1C)C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 Cn1ncnc1[*:1] CN(C[*:1])C(=O)c1ncoc1-c1ccc2OCCOc2c1
CN(Cc1ncnn1C)C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 Cn1ncnc1C[*:1] CN(C(=O)c1ncoc1-c1ccc2OCCOc2c1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)CC2CCCC2)C1 C1CCC(C1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)[C@H](C)C[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)CC2CCCC2)C1 CCNS(=O)(=O)[*:1] C[C@H](CC1CCCC1)C(=O)N1CC[C@H](C1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)CC2CCCC2)C1 C1CCC(C1)C[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)[C@H](C)[*:1]
C[C@H](NC(=O)[C@]1(C)Sc2ccccc2NC1=O)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)[C@]1(C)Sc2ccccc2NC1=O)[*:1]
CCC[C@H](C)NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 CCC[C@H](C)[*:1] O=C(CSCc1nc2sc3CCCCc3c2c(=O)[nH]1)N[*:1]
CCC[C@H](C)NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 CCC[*:1] C[C@H](NC(=O)CSCc1nc2sc3CCCCc3c2c(=O)[nH]1)[*:1]
CCC[C@H](C)NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 CCC[C@H](C)NC(=O)[*:1] O=c1[nH]c(CSC[*:1])nc2sc3CCCCc3c12
COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3ccco3)C2)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)[*:1]
COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3ccco3)C2)cc1 COc1ccc(cc1)[*:1] O=C(CN1CCOCC1)N1N=C(C[C@@H]1c1ccco1)[*:1]
COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C1C[C@H](N(N=1)C(=O)CN1CCOCC1)[*:1]
COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3ccco3)C2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)C[*:1]
Cc1cc(NC(=O)CS(=O)(=O)c2nnc(C)n2CCc2cccs2)no1 Cc1cc(no1)[*:1] Cc1nnc(n1CCc1cccs1)S(=O)(=O)CC(=O)N[*:1]
Cc1cc(NC(=O)CS(=O)(=O)c2nnc(C)n2CCc2cccs2)no1 c1csc(c1)CC[*:1] Cc1cc(no1)NC(=O)CS(=O)(=O)c1nnc(C)n1[*:1]
Cc1cc(NC(=O)CS(=O)(=O)c2nnc(C)n2CCc2cccs2)no1 c1csc(c1)C[*:1] Cc1cc(no1)NC(=O)CS(=O)(=O)c1nnc(C)n1C[*:1]
Cc1cc(NC(=O)CS(=O)(=O)c2nnc(C)n2CCc2cccs2)no1 c1csc(c1)[*:1] Cc1cc(no1)NC(=O)CS(=O)(=O)c1nnc(C)n1CC[*:1]
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] N#C/C(=C\c1ccc(o1)-c1ccccc1)C(=O)[*:1]
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)c1cccc(C#N)c1 c1ccc(cc1)[*:1] N#C/C(=C\c1ccc(o1)[*:1])C(=O)c1cccc(C#N)c1
Cc1cc(C[S@@](=O)CC(=O)Nc2cccc(Cl)c2Cl)on1 Cc1cc(C[*:1])on1 O=C(C[S@](=O)[*:1])Nc1cccc(Cl)c1Cl
Cc1cc(C[S@@](=O)CC(=O)Nc2cccc(Cl)c2Cl)on1 Cc1cc(on1)[*:1] O=C(C[S@](=O)C[*:1])Nc1cccc(Cl)c1Cl
O=C(COc1ccc(Cl)cc1)NCc1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(COc1ccc(Cl)cc1)NC[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(O)ccc1Br COC(=O)[*:1] Oc1ccc(Br)c(c1)CN1C[C@H](O)C[C@H]1[*:1]
CC[C@H]([NH3+])[C@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 O=C([O-])[*:1] CC[C@H]([NH3+])[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)[*:1]
Cc1occc1C(=O)NCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 Cc1occc1[*:1] C[C@@H](NC(=O)CNC(=O)[*:1])c1nc2ccccc2[nH]1
O=[S@](CCSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=[S@](CCSc1nnc(o1)-c1ccc(Cl)cc1)[*:1]
O=[S@](CCSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 Clc1ccc(cc1)[*:1] O=[S@](CCSc1nnc(o1)[*:1])c1ccccc1
CC(=O)N1CCN(C)[C@@H](C(=O)N2CCC(c3nncn3C)CC2)C1 Cn1cnnc1[*:1] CC(=O)N1CCN(C)[C@H](C1)C(=O)N1CCC(CC1)[*:1]
CCOc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)c(C(F)(F)F)c1 FC(F)(F)[*:1] CCOc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)c(c1)[*:1]
CCOc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)c(C(F)(F)F)c1 CCO[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
COc1ccc2nc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cn(C(C)C)cn4)C3)sc2c1 CC(C)[*:1] COc1ccc2nc(NC(=O)[C@H]3CCCN(C3)S(=O)(=O)c3cn(cn3)[*:1])sc2c1
CC(C)[C@H]1C(=N)NC(=O)N1C CC(C)[*:1] CN1C(=O)NC(=N)[C@@H]1[*:1]
O=C(CC1(O)CCCCC1)NCCNC(=O)c1ccco1 OC1(CCCCC1)[*:1] O=C(C[*:1])NCCNC(=O)c1ccco1
O=C(CC1(O)CCCCC1)NCCNC(=O)c1ccco1 c1coc(c1)[*:1] O=C(CC1(O)CCCCC1)NCCNC(=O)[*:1]
COc1ccc(-c2nc(CC(=O)N(C)CCC#N)cs2)cc1OC N#CCC[*:1] COc1ccc(cc1OC)-c1nc(cs1)CC(=O)N(C)[*:1]
COc1ccc(-c2nc(CC(=O)N(C)CCC#N)cs2)cc1OC N#CC[*:1] COc1ccc(cc1OC)-c1nc(cs1)CC(=O)N(C)C[*:1]
COc1ccc(-c2nc(CC(=O)N(C)CCC#N)cs2)cc1OC CN(CCC#N)C(=O)[*:1] COc1ccc(cc1OC)-c1nc(cs1)C[*:1]
Cn1nc(C(=O)NCCCN2CCCC2=O)c2c1-c1ccccc1SC2 O=C1CCCN1C[*:1] Cn1nc(C(=O)NCC[*:1])c2CSc3ccccc3-c21
Cn1nc(C(=O)NCCCN2CCCC2=O)c2c1-c1ccccc1SC2 O=C1CCCN1[*:1] Cn1nc(C(=O)NCCC[*:1])c2CSc3ccccc3-c21
Cn1nc(C(=O)NCCCN2CCCC2=O)c2c1-c1ccccc1SC2 O=C1CCCN1CC[*:1] Cn1nc(C(=O)NC[*:1])c2CSc3ccccc3-c21
C[C@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCC1 c1ccc(cc1)[*:1] C[C@H]([NH2+]CC1CCN(CC1)S(=O)(=O)[*:1])C1CCC1
C[C@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCC1 C1CC(C1)[*:1] C[C@H]([NH2+]CC1CCN(CC1)S(=O)(=O)c1ccccc1)[*:1]
CCSCC[C@H](C)NC(=O)N[C@H]1CCC[C@@]1(C)CO CCSC[*:1] C[C@@H](C[*:1])NC(=O)N[C@H]1CCC[C@@]1(C)CO
CCSCC[C@H](C)NC(=O)N[C@H]1CCC[C@@]1(C)CO CCSCC[*:1] C[C@H](NC(=O)N[C@H]1CCC[C@@]1(C)CO)[*:1]
CCSCC[C@H](C)NC(=O)N[C@H]1CCC[C@@]1(C)CO CCS[*:1] C[C@@H](CC[*:1])NC(=O)N[C@H]1CCC[C@@]1(C)CO
CCCC(C)(C)NC(=O)c1cc2c(cc1Br)n(C)c(=O)n2C CCCC(C)(C)[*:1] Cn1c(=O)n(C)c2cc(C(=O)N[*:1])c(Br)cc21
CCCC(C)(C)NC(=O)c1cc2c(cc1Br)n(C)c(=O)n2C CCC[*:1] Cn1c(=O)n(C)c2cc(C(=O)NC(C)(C)[*:1])c(Br)cc21
C[C@H](C#N)CNC(=O)C(=O)Nc1ccccc1N1CCCCCC1 C1CCCN(CC1)[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccccc1[*:1]
O=C(NNc1ccccc1F)Nc1ccc(CC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NNc1ccccc1F)Nc1ccc(cc1)C[*:1]
O=C(NNc1ccccc1F)Nc1ccc(CC(F)(F)F)cc1 FC(F)(F)C[*:1] O=C(NNc1ccccc1F)Nc1ccc(cc1)[*:1]
O=C(NNc1ccccc1F)Nc1ccc(CC(F)(F)F)cc1 Fc1ccccc1[*:1] O=C(NN[*:1])Nc1ccc(cc1)CC(F)(F)F
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C(Cn1cc(ccc1=O)S(=O)(=O)N1CCCC1)N[*:1]
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1cc(F)cc(F)c1 O=S(=O)(N1CCCC1)[*:1] O=C(Cn1cc(ccc1=O)[*:1])Nc1cc(F)cc(F)c1
O=C([O-])CCC(=O)Nc1ncc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C([O-])CCC(=O)Nc1ncc(s1)[*:1]
O=C([O-])CCC(=O)Nc1ncc([N+](=O)[O-])s1 O=C([O-])[*:1] O=C(CC[*:1])Nc1ncc(s1)[N+](=O)[O-]
O=C([O-])CCC(=O)Nc1ncc([N+](=O)[O-])s1 O=C([O-])CC[*:1] O=C(Nc1ncc(s1)[N+](=O)[O-])[*:1]
O=C([O-])CCC(=O)Nc1ncc([N+](=O)[O-])s1 O=C([O-])C[*:1] O=C(C[*:1])Nc1ncc(s1)[N+](=O)[O-]
COc1ccc(NC(=O)c2scnc2C2CC2)cc1C C1CC1[*:1] COc1ccc(cc1C)NC(=O)c1scnc1[*:1]
Cc1ccc(-n2nnc(C(=O)Nc3ccccc3C)c2C2CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)c1nnn(c1C1CC1)[*:1]
Cc1ccc(-n2nnc(C(=O)Nc3ccccc3C)c2C2CC2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N[*:1])c1C1CC1
Cc1ccc(-n2nnc(C(=O)Nc3ccccc3C)c2C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)-n1nnc(C(=O)Nc2ccccc2C)c1[*:1]
CC[C@H](NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C)C(C)(C)c1ccccc1 Cc1nn(C)c(C)c1C[*:1] CC[C@H](NC(=O)N[C@H](C)[*:1])C(C)(C)c1ccccc1
CC[C@H](NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C)C(C)(C)c1ccccc1 CC(C)(c1ccccc1)[*:1] CC[C@H](NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C)[*:1]
CC[C@H](NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C)C(C)(C)[*:1]
CC[C@H](NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C)C(C)(C)c1ccccc1 Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)N[C@H](C)C[*:1])C(C)(C)c1ccccc1
O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cnc(-c2cccs2)s1 c1csc(c1)[*:1] O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cnc(s1)[*:1]
O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cnc(-c2cccs2)s1 c1ccc(cc1)[*:1] O=C(N[C@H](C(=O)Nc1cc[nH]n1)[*:1])c1cnc(s1)-c1cccs1
CN(C)c1nc(-c2ccccc2)c(CN2CCO[C@H](c3ccsc3)C2)s1 CN(C)[*:1] c1ccc(cc1)-c1nc(sc1CN1CCO[C@@H](C1)c1ccsc1)[*:1]
CN(C)c1nc(-c2ccccc2)c(CN2CCO[C@H](c3ccsc3)C2)s1 c1ccc(cc1)[*:1] CN(C)c1nc(c(CN2CCO[C@@H](C2)c2ccsc2)s1)[*:1]
CN(C)c1nc(-c2ccccc2)c(CN2CCO[C@H](c3ccsc3)C2)s1 c1cc(cs1)[*:1] CN(C)c1nc(-c2ccccc2)c(CN2CCO[C@H](C2)[*:1])s1
O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccc(Cl)cn1 O=c1[nH]nc([nH]1)[*:1] O=C(NCCC[*:1])c1ccc(Cl)cn1
C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1OC(F)(F)F FC(F)(F)[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1O[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1OC(F)(F)F c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NCc1ccccc1OC(F)(F)F
C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1OC(F)(F)F FC(F)(F)O[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1[*:1]
Cc1cncc(NC(=O)C(=O)NCCC(=O)Nc2ccccc2)c1 Cc1cncc(c1)[*:1] O=C(CCNC(=O)C(=O)N[*:1])Nc1ccccc1
Cc1cncc(NC(=O)C(=O)NCCC(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)C(=O)NCCC(=O)N[*:1]
O=C(NCCC1=c2ccccc2=[NH+]C1)C1=CNN(c2ccc(F)cc2)[C@@H]1n1cccc1 Fc1ccc(cc1)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)C1=CNN([C@@H]1n1cccc1)[*:1]
O=C(NCCC1=c2ccccc2=[NH+]C1)C1=CNN(c2ccc(F)cc2)[C@@H]1n1cccc1 c1ccn(c1)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)C1=CNN(c2ccc(F)cc2)[C@H]1[*:1]
CCCOc1cccc([C@H]([NH3+])c2cc(F)c(C)cc2F)c1 CCCO[*:1] Cc1cc(F)c(cc1F)[C@@H]([NH3+])c1cccc(c1)[*:1]
CCCOc1cccc([C@H]([NH3+])c2cc(F)c(C)cc2F)c1 CCC[*:1] Cc1cc(F)c(cc1F)[C@@H]([NH3+])c1cccc(c1)O[*:1]
Cn1nnc(-c2ccc(NC(=O)C(=O)NCCC3=CCCCC3)cc2)n1 Cn1nnc(n1)[*:1] O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(-c2n[nH]cc2/C=C2\SC(=O)N=C2[N-]c2cccc(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)[N-]C1=NC(=O)S/C1=C\c1c[nH]nc1[*:1]
COc1ccc(-c2n[nH]cc2/C=C2\SC(=O)N=C2[N-]c2cccc(OC)c2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)-c1n[nH]cc1/C=C1\SC(=O)N=C1[N-][*:1]
O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1n[nH]c2ccccc12 c1ccc2c(n[nH]c2c1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)[N-]c1ccccc1Cl)[*:1]
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)[*:1]
C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1 C=CC[*:1] Cc1ccc(cc1)[C@H](C)N[C@H](C)C(=O)NC(=O)N[*:1]
CSc1nc(C)c(CCC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C)n1 c1ccc2[nH]c(nc2c1)[*:1] CSc1nc(C)c(CCC(=O)N2CCC[C@@H](C2)[*:1])c(C)n1
Fc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccccn3)n2)cc1 c1ccc(nc1)[*:1] Fc1ccc(cc1)-c1nc(cc(n1)[*:1])NCC1CC[NH2+]CC1
Fc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccccn3)n2)cc1 Fc1ccc(cc1)[*:1] c1ccc(nc1)-c1cc(nc(n1)[*:1])NCC1CC[NH2+]CC1
CC(C)COc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 CC(C)CO[*:1] O=C1CCCCN1c1cccc(c1)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)COc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 CC(C)[*:1] O=C1CCCCN1c1cccc(c1)NS(=O)(=O)c1ccc(cc1)OC[*:1]
CC(C)COc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 O=C1CCCCN1[*:1] CC(C)COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[*:1]
CC(C)COc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 CC(C)C[*:1] O=C1CCCCN1c1cccc(c1)NS(=O)(=O)c1ccc(cc1)O[*:1]
CC(C)C[C@@H](C[NH3+])CC(=O)N1CCN(C)C(=O)C1(C)C CC(C)C[*:1] CN1CCN(C(=O)C[C@H](C[NH3+])[*:1])C(C)(C)C1=O
CC(C)C[C@@H](C[NH3+])CC(=O)N1CCN(C)C(=O)C1(C)C CC(C)[*:1] CN1CCN(C(=O)C[C@H](C[NH3+])C[*:1])C(C)(C)C1=O
CCOc1c(Br)cc(C(=O)Nc2nnn[n-]2)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])C(=O)Nc1nnn[n-]1
Cc1cccc(CN2C(=O)N/C(=C\c3c(-c4ccccc4)nn(-c4ccccc4)c3O)C2=O)c1 Cc1cccc(c1)[*:1] O=C1N/C(=C\c2c(nn(-c3ccccc3)c2O)-c2ccccc2)C(=O)N1C[*:1]
Cc1cccc(CN2C(=O)N/C(=C\c3c(-c4ccccc4)nn(-c4ccccc4)c3O)C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CN1C(=O)N/C(=C\c2c(nn(-c3ccccc3)c2O)[*:1])C1=O
Cc1cccc(CN2C(=O)N/C(=C\c3c(-c4ccccc4)nn(-c4ccccc4)c3O)C2=O)c1 Cc1cccc(c1)C[*:1] O=C1N/C(=C\c2c(nn(-c3ccccc3)c2O)-c2ccccc2)C(=O)N1[*:1]
Cc1cccc(CN2C(=O)N/C(=C\c3c(-c4ccccc4)nn(-c4ccccc4)c3O)C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CN1C(=O)N/C(=C\c2c(nn(c2O)[*:1])-c2ccccc2)C1=O
CCN(C(=O)Cn1cnc2sccc2c1=O)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)Cn1cnc2sccc2c1=O)[*:1]
CC(C)c1ocnc1COc1ccc(N(C)C(=O)OC(C)(C)C)cc1 CC(C)c1ocnc1[*:1] CN(C(=O)OC(C)(C)C)c1ccc(cc1)OC[*:1]
CC(C)c1ocnc1COc1ccc(N(C)C(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)c1ocnc1COc1ccc(cc1)N(C)C(=O)O[*:1]
CC(C)c1ocnc1COc1ccc(N(C)C(=O)OC(C)(C)C)cc1 CC(C)[*:1] CN(C(=O)OC(C)(C)C)c1ccc(cc1)OCc1ncoc1[*:1]
CCNC(=O)NNC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 Cc1ccc(cc1C)[*:1] CCNC(=O)NNC(=O)[C@H]1CCC(=O)N(C1)[*:1]
O=C(CCCNC(=O)c1ccc(F)cc1)Nc1nccs1 Fc1ccc(cc1)[*:1] O=C(CCCNC(=O)[*:1])Nc1nccs1
O=C(CCCNC(=O)c1ccc(F)cc1)Nc1nccs1 c1csc(n1)[*:1] O=C(CCCNC(=O)c1ccc(F)cc1)N[*:1]
Cc1ccc([C@@H](C#N)NS(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@H](C#N)[*:1]
Cc1ccc([C@@H](C#N)NS(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](C#N)NS(=O)(=O)[*:1]
COC(=O)[C@@H](NCCc1ccc(Cl)cc1)c1cccc(C#N)c1 Clc1ccc(cc1)[*:1] COC(=O)[C@@H](NCC[*:1])c1cccc(C#N)c1
COC(=O)[C@@H](NCCc1ccc(Cl)cc1)c1cccc(C#N)c1 COC(=O)[*:1] N#Cc1cccc(c1)[C@H](NCCc1ccc(Cl)cc1)[*:1]
N#C[C@]1(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)CCSC1 FC(F)(F)[*:1] N#C[C@@]1(CCSC1)NC(=O)Cn1cc(ccc1=O)[*:1]
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccncc1 c1cc(ccn1)[*:1] CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2[*:1]
COc1ccc(OC)c(-c2cc(C(=O)O[C@H](C)c3nccs3)no2)c1 c1csc(n1)[*:1] COc1ccc(OC)c(c1)-c1cc(no1)C(=O)O[C@H](C)[*:1]
Nc1cccc(COc2cc(F)c([N+](=O)[O-])cc2F)n1 O=[N+]([O-])[*:1] Nc1cccc(COc2cc(F)c(cc2F)[*:1])n1
CCOc1ccc2ccccc2c1C(=O)Nc1ncc(C#N)s1 N#Cc1cnc(s1)[*:1] CCOc1ccc2ccccc2c1C(=O)N[*:1]
CCOc1ccc2ccccc2c1C(=O)Nc1ncc(C#N)s1 CCO[*:1] N#Cc1cnc(NC(=O)c2c(ccc3ccccc23)[*:1])s1
C[C@](N)(C(=O)N1[C@H]2CCCC[C@@H]2C[C@@H]1C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@](N)(C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1[*:1])C(F)(F)F
C[C@](N)(C(=O)N1[C@H]2CCCC[C@@H]2C[C@@H]1C(=O)[O-])C(F)(F)F C[C@](N)(C(F)(F)F)[*:1] O=C([O-])[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[*:1]
C[C@](N)(C(=O)N1[C@H]2CCCC[C@@H]2C[C@@H]1C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](N)(C(=O)N1[C@H]2CCCC[C@@H]2C[C@@H]1C(=O)[O-])[*:1]
O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccccc1 c1cncc(c1)[*:1] O=C(Nc1ccc(OC[*:1])c(Cl)c1)c1ccccc1
O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[*:1]
O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccccc1 c1cncc(c1)CO[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1ccccc1
O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccccc1 c1cncc(c1)C[*:1] O=C(Nc1ccc(O[*:1])c(Cl)c1)c1ccccc1
CNC(=O)[C@H](C)CN(C)C(=O)C[C@H](C)C(C)C CC(C)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)C[C@H](C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)C[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)C[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)C[C@H](C)C(C)C CNC(=O)[*:1] CC(C)[C@@H](C)CC(=O)N(C)C[C@@H](C)[*:1]
CSc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)c1 CSc1cccc(c1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
CSc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)c1 CN(C)S(=O)(=O)[*:1] CSc1cccc(c1)-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
Cc1cc(C(=O)N(CC2CC[NH2+]CC2)C2CC2)no1 C1CC1[*:1] Cc1cc(no1)C(=O)N(CC1CC[NH2+]CC1)[*:1]
Cc1cc(C(=O)N(CC2CC[NH2+]CC2)C2CC2)no1 Cc1cc(no1)[*:1] O=C(N(CC1CC[NH2+]CC1)C1CC1)[*:1]
CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C(Cl)Cl ClC(Cl)[*:1] CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)[*:1]
CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C(Cl)Cl O=C(N[*:1])C(Cl)Cl CCOC(=O)c1sc2nc(C)cc(C)c2c1[*:1]
CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)C(Cl)Cl CCOC(=O)[*:1] Cc1cc(C)c2c(NC(=O)C(Cl)Cl)c(sc2n1)[*:1]
Cc1cc(N2CCN(C(=O)c3cc(C)on3)CC2)nc(C(C)C)[nH+]1 Cc1cc(no1)[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)C(=O)[*:1]
Cc1cc(N2CCN(C(=O)c3cc(C)on3)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCN(CC1)C(=O)c1cc(C)on1
CCCCc1cn(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1 C1CO[C@@H](C1)[*:1] CCCCc1cn(nn1)C1CCN(CC1)C(=O)[*:1]
CCCCc1cn(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1 CCC[*:1] O=C([C@@H]1CCCO1)N1CCC(CC1)n1cc(C[*:1])nn1
CCCCc1cn(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1 CCCC[*:1] O=C([C@@H]1CCCO1)N1CCC(CC1)n1cc(nn1)[*:1]
COc1cc(N)ccc1S[C@H](C)CC(=O)NN NNC(=O)C[*:1] COc1cc(N)ccc1S[C@H](C)[*:1]
COc1cc(N)ccc1S[C@H](C)CC(=O)NN NNC(=O)[*:1] COc1cc(N)ccc1S[C@H](C)C[*:1]
O=C([O-])C1CCN(S(=O)(=O)c2ccc3nc([O-])sc3c2)CC1 O=C([O-])[*:1] O=S(=O)(c1ccc2nc([O-])sc2c1)N1CCC(CC1)[*:1]
Cc1ccccc1C(=O)NNC(=O)c1ccc(COc2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] Cc1ccccc1C(=O)NNC(=O)c1ccc(CO[*:1])o1
Cc1ccccc1C(=O)NNC(=O)c1ccc(COc2ccc(Br)cc2)o1 Brc1ccc(cc1)O[*:1] Cc1ccccc1C(=O)NNC(=O)c1ccc(C[*:1])o1
Cc1ccccc1C(=O)NNC(=O)c1ccc(COc2ccc(Br)cc2)o1 Brc1ccc(cc1)OC[*:1] Cc1ccccc1C(=O)NNC(=O)c1ccc(o1)[*:1]
Cc1ccccc1C(=O)NNC(=O)c1ccc(COc2ccc(Br)cc2)o1 Cc1ccccc1[*:1] O=C(NNC(=O)[*:1])c1ccc(COc2ccc(Br)cc2)o1
CNC(=O)c1cc(NC(=O)C=C2CCSCC2)ccc1Cl CNC(=O)[*:1] O=C(C=C1CCSCC1)Nc1ccc(Cl)c(c1)[*:1]
COc1cccc2c1OC[C@@H](NC(=O)C1(O)CCCC1)C2 OC1(CCCC1)[*:1] COc1cccc2C[C@@H](COc21)NC(=O)[*:1]
O=C(CN(Cc1cccnc1)C[C@H]1CCCO1)NC1CCOCC1 c1cncc(c1)C[*:1] O=C(CN(C[C@H]1CCCO1)[*:1])NC1CCOCC1
O=C(CN(Cc1cccnc1)C[C@H]1CCCO1)NC1CCOCC1 c1cncc(c1)[*:1] O=C(CN(C[C@H]1CCCO1)C[*:1])NC1CCOCC1
O=C(CN(Cc1cccnc1)C[C@H]1CCCO1)NC1CCOCC1 C1CO[C@H](C1)C[*:1] O=C(CN(Cc1cccnc1)[*:1])NC1CCOCC1
O=C(CN(Cc1cccnc1)C[C@H]1CCCO1)NC1CCOCC1 C1CC(CCO1)[*:1] O=C(CN(Cc1cccnc1)C[C@H]1CCCO1)N[*:1]
Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1C[*:1]
Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](N1C[C@H]1CCCO1)[*:1]
Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] Cc1ccc(cc1)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
CN(Cc1nccs1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1csc(C[*:1])n1 CN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
CN(Cc1nccs1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CN(Cc1nccs1)C(=O)N[C@H]1CCCN(C1=O)[*:1]
CN(Cc1nccs1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CN(Cc1nccs1)C(=O)N[C@H]1CCCN(C[*:1])C1=O
CN(Cc1nccs1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1csc(n1)[*:1] CN(C[*:1])C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O
COc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)on2)c1 COc1cccc(c1)[*:1] O=C(c1cc(no1)[*:1])N1CCC[C@@H]1c1ccc2OCCCOc2c1
C[C@@H](NC(=O)NC1CCCC1)c1ccccn1 C1CCC(C1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccccn1
CC(=O)c1cccc(OCC2=C[C@@H](C(=O)NCc3ccco3)N=N2)c1 c1coc(c1)[*:1] CC(=O)c1cccc(c1)OCC1=C[C@H](N=N1)C(=O)NC[*:1]
CC(=O)c1cccc(OCC2=C[C@@H](C(=O)NCc3ccco3)N=N2)c1 CC(=O)[*:1] O=C(NCc1ccco1)[C@@H]1C=C(COc2cccc(c2)[*:1])N=N1
CC(=O)c1cccc(OCC2=C[C@@H](C(=O)NCc3ccco3)N=N2)c1 c1coc(c1)C[*:1] CC(=O)c1cccc(c1)OCC1=C[C@H](N=N1)C(=O)N[*:1]
Cc1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cs1 CN(C)[*:1] Cc1nc(cs1)CC(=O)Nc1cc(ccc1[*:1])C(F)(F)F
Cc1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cs1 Cc1nc(cs1)C[*:1] CN(C)c1ccc(cc1NC(=O)[*:1])C(F)(F)F
Cc1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cs1 Cc1nc(cs1)[*:1] CN(C)c1ccc(cc1NC(=O)C[*:1])C(F)(F)F
Cc1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cs1 FC(F)(F)[*:1] Cc1nc(cs1)CC(=O)Nc1cc(ccc1N(C)C)[*:1]
O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc(F)nc1 Clc1cccc(c1)[*:1] O=C(Nc1ncc(C[*:1])s1)c1ccc(F)nc1
O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc(F)nc1 Fc1ccc(cn1)[*:1] O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)[*:1]
Cc1nnc(NC(=O)c2c(C)nn3cccnc23)s1 Cc1nnc(s1)[*:1] Cc1nn2cccnc2c1C(=O)N[*:1]
COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccccc2SC(F)F)c1 FC(F)[*:1] COc1ccc(OC)c(c1)[C@@H](C)NC(=O)Nc1ccccc1S[*:1]
COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccccc2SC(F)F)c1 FC(F)S[*:1] COc1ccc(OC)c(c1)[C@@H](C)NC(=O)Nc1ccccc1[*:1]
CC1(C)C[C@@H]1C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F CC1(C)C[C@H]1[*:1] O=C(N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)[*:1]
CC(C)(C)c1ccc(O)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 CC(C)(C)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1cc(ccc1O)[*:1]
CCOCCN(C)C(=O)[C@@H]1Oc2ccccc2[C@H]1C CCO[*:1] C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)[C@@H]1Oc2ccccc2[C@H]1C CCOC[*:1] C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)[C@@H]1Oc2ccccc2[C@H]1C CCOCC[*:1] C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)[*:1]
O=C(NCCCC(=O)N1Cc2ccccc2C1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(CCCNC(=O)[*:1])N1Cc2ccccc2C1
COCCNC(=O)Cn1ccc(C(=O)[O-])c1 COCC[*:1] O=C(Cn1ccc(c1)C(=O)[O-])N[*:1]
COCCNC(=O)Cn1ccc(C(=O)[O-])c1 COC[*:1] O=C(Cn1ccc(c1)C(=O)[O-])NC[*:1]
COCCNC(=O)Cn1ccc(C(=O)[O-])c1 O=C([O-])[*:1] COCCNC(=O)Cn1ccc(c1)[*:1]
O=C(N1CCC(Cc2ccccc2)CC1)C1(c2cc(-c3cccs3)on2)CC1 c1ccc(cc1)C[*:1] O=C(N1CCC(CC1)[*:1])C1(CC1)c1cc(on1)-c1cccs1
O=C(N1CCC(Cc2ccccc2)CC1)C1(c2cc(-c3cccs3)on2)CC1 c1csc(c1)[*:1] O=C(N1CCC(CC1)Cc1ccccc1)C1(CC1)c1cc(on1)[*:1]
O=C(N1CCC(Cc2ccccc2)CC1)C1(c2cc(-c3cccs3)on2)CC1 c1ccc(cc1)[*:1] O=C(N1CCC(CC1)C[*:1])C1(CC1)c1cc(on1)-c1cccs1
CCc1ccsc1CNC(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1 CCc1ccsc1C[*:1] C[C@H](CC(=O)N[*:1])S(=O)(=O)c1ccc(F)cc1
CCc1ccsc1CNC(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1ccsc1CNC(=O)C[C@@H](C)S(=O)(=O)[*:1]
CCc1ccsc1CNC(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1 CCc1ccsc1[*:1] C[C@H](CC(=O)NC[*:1])S(=O)(=O)c1ccc(F)cc1
COc1ccc(OC)c(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)C(=O)N1CCC[C@H](C1)N1CCN(CC1)[*:1]
COc1ccc(OC)c(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 COc1ccc(OC)c(c1)[*:1] O=C(N1CCC[C@H](C1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
COCCOc1cccc(NC(=O)N[C@@H](C)c2c(C)noc2C)c1 COCCO[*:1] Cc1noc(C)c1[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
COCCOc1cccc(NC(=O)N[C@@H](C)c2c(C)noc2C)c1 COC[*:1] Cc1noc(C)c1[C@H](C)NC(=O)Nc1cccc(c1)OC[*:1]
COCCOc1cccc(NC(=O)N[C@@H](C)c2c(C)noc2C)c1 Cc1noc(C)c1[*:1] COCCOc1cccc(c1)NC(=O)N[C@@H](C)[*:1]
COCCOc1cccc(NC(=O)N[C@@H](C)c2c(C)noc2C)c1 COCC[*:1] Cc1noc(C)c1[C@H](C)NC(=O)Nc1cccc(c1)O[*:1]
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)NC(=O)[C@H]1CCCN1C(=O)[*:1]
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1ccc2OCOc2c1
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)Nc1ccccc1CC(=O)N(C)C CN(C)C(=O)C[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)Nc1ccccc1[*:1]
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)Nc1ccccc1CC(=O)N(C)C CN(C)C(=O)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)Nc1ccccc1C[*:1]
COc1ccccc1N1CCN(c2noc(-c3ccccc3)n2)[C@H](C)C1 c1ccc(cc1)[*:1] COc1ccccc1N1CCN(c2noc(n2)[*:1])[C@H](C)C1
COc1ccccc1N1CCN(c2noc(-c3ccccc3)n2)[C@H](C)C1 COc1ccccc1[*:1] C[C@@H]1CN(CCN1c1noc(n1)-c1ccccc1)[*:1]
Cc1ccnc([C@@]2(C)CCCN2C(=O)Cc2ccccc2)n1 Cc1ccnc(n1)[*:1] C[C@]1(CCCN1C(=O)Cc1ccccc1)[*:1]
Cc1ccnc([C@@]2(C)CCCN2C(=O)Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1ccnc(n1)[C@@]1(C)CCCN1C(=O)[*:1]
Cc1ccnc([C@@]2(C)CCCN2C(=O)Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccnc(n1)[C@@]1(C)CCCN1C(=O)C[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(F)c1F Cc1nn(C)cc1[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1F)[*:1]
C[C@@H](CNC(=O)N[C@H]1CCCc2c1cnn2C)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@H]1CCCc2c1cnn2C)N(C)[*:1]
C[C@@H](CNC(=O)N[C@H]1CCCc2c1cnn2C)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@H](CNC(=O)N[C@H]1CCCc2c1cnn2C)[*:1]
O=C(Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1c(oc2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(cc1)[*:1]
O=C(Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)c1oc2ccccc2c1NC(=O)[*:1]
O=C(Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 Fc1ccc(cc1Cl)[*:1] O=C(Nc1c(oc2ccccc12)C(=O)N[*:1])c1ccc(cc1)[N+](=O)[O-]
CSC[C@](C)(O)CNC(=O)c1ccc(Oc2ccccc2)cc1 CSC[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)Oc1ccccc1)[*:1]
CSC[C@](C)(O)CNC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CSC[C@](C)(O)CNC(=O)c1ccc(cc1)O[*:1]
CSC[C@](C)(O)CNC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CSC[C@](C)(O)CNC(=O)c1ccc(cc1)[*:1]
O=C(CSc1nnc2n1CCCCC2)NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1nnc2CCCCCn21)NC(=O)[*:1]
O=C(CSc1nnc2n1CCCCC2)NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc2CCCCCn21)NC(=O)C[*:1]
CCc1cc(=O)[nH]c(SCC(=O)OC)n1 COC(=O)C[*:1] CCc1cc(=O)[nH]c(n1)S[*:1]
CCc1cc(=O)[nH]c(SCC(=O)OC)n1 COC(=O)[*:1] CCc1cc(=O)[nH]c(n1)SC[*:1]
Cc1c(N2CCC[C@H]2C2CCC2)cc(C#N)cc1[N+](=O)[O-] C1CC(C1)[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N1CCC[C@@H]1[*:1]
Cc1c(N2CCC[C@H]2C2CCC2)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])N1CCC[C@H]1C1CCC1
CN(C)c1nc2cc3c(cc2cc1CN(CC[NH+](C)C)C(=O)C1CCCCC1)OCO3 CN(C)[*:1] C[NH+](C)CCN(Cc1cc2cc3OCOc3cc2nc1[*:1])C(=O)C1CCCCC1
CN(C)c1nc2cc3c(cc2cc1CN(CC[NH+](C)C)C(=O)C1CCCCC1)OCO3 C1CCC(CC1)[*:1] CN(C)c1nc2cc3OCOc3cc2cc1CN(CC[NH+](C)C)C(=O)[*:1]
Cn1cccc1C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 Cn1cccc1[*:1] O=C(Nc1cccc(c1)-n1cccn1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cn1cccc1C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 c1cnn(c1)[*:1] Cn1cccc1C(=O)N1CCC[C@H](C1)C(=O)Nc1cccc(c1)[*:1]
Fc1cc(Br)ccc1Cn1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Fc1cc(Br)ccc1Cn1nnc(n1)[*:1]
Cc1cc([C@@H](C)NC(=O)CS(=O)(=O)C2CCCC2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)[*:1]
Cc1cc([C@@H](C)NC(=O)CS(=O)(=O)C2CCCC2)c(C)s1 C1CCC(C1)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)CS(=O)(=O)[*:1]
CC(=O)N(C)c1nc(/C=C(\Cl)c2nc([O-])c3ccccc3n2)cs1 CC(=O)N(C)[*:1] [O-]c1nc(nc2ccccc12)/C(Cl)=C/c1csc(n1)[*:1]
CC(C)[C@H]1C[C@@](O)([C@H](F)C(=O)[O-])CCO1 O=C([O-])[*:1] CC(C)[C@H]1C[C@](O)(CCO1)[C@H](F)[*:1]
CC(C)[C@H]1C[C@@](O)([C@H](F)C(=O)[O-])CCO1 CC(C)[*:1] O=C([O-])[C@@H](F)[C@@]1(O)CCO[C@H](C1)[*:1]
Cc1ccccc1CNc1ccc(-c2nc(-c3ccc(F)cc3)no2)nn1 Cc1ccccc1CN[*:1] Fc1ccc(cc1)-c1noc(n1)-c1ccc(nn1)[*:1]
Cc1ccccc1CNc1ccc(-c2nc(-c3ccc(F)cc3)no2)nn1 Cc1ccccc1[*:1] Fc1ccc(cc1)-c1noc(n1)-c1ccc(nn1)NC[*:1]
Cc1ccccc1CNc1ccc(-c2nc(-c3ccc(F)cc3)no2)nn1 Cc1ccccc1C[*:1] Fc1ccc(cc1)-c1noc(n1)-c1ccc(nn1)N[*:1]
Cc1ccccc1CNc1ccc(-c2nc(-c3ccc(F)cc3)no2)nn1 Fc1ccc(cc1)[*:1] Cc1ccccc1CNc1ccc(nn1)-c1nc(no1)[*:1]
CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1[S@](=O)[C@H](C)CC CC[C@@H](C)[*:1] CC[NH2+][C@H]1c2cc(ccc2CC[C@H]1[S@](=O)[*:1])OC
COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ncccc1Cl Clc1cccnc1[*:1] COc1ccc(C)cc1NC(=O)[C@H](C)S[*:1]
Cc1c(C(=O)Nc2cc(N3CCC(C)CC3)ncn2)cccc1[N+](=O)[O-] CC1CCN(CC1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1cc(ncn1)[*:1]
Cc1c(C(=O)Nc2cc(N3CCC(C)CC3)ncn2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1cc(ncn1)N1CCC(C)CC1
CC[C@@](C)([C@H]([NH3+])C(C)(C)C)[NH+]1CCCC1 CC(C)(C)[*:1] CC[C@@](C)([C@H]([NH3+])[*:1])[NH+]1CCCC1
CCC(=O)OCc1cn(C)nc1C(F)(F)F CCC(=O)O[*:1] Cn1cc(C[*:1])c(n1)C(F)(F)F
CCC(=O)OCc1cn(C)nc1C(F)(F)F FC(F)(F)[*:1] CCC(=O)OCc1cn(C)nc1[*:1]
O=C(NCc1ccc2c(c1)OCCO2)N[C@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCc1ccc2OCCOc2c1)N[C@H]1C[C@H]1[*:1]
CCCOCCC(=O)N[C@H]1CC[NH2+]C[C@H]1C CCCO[*:1] C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC[*:1]
CCCOCCC(=O)N[C@H]1CC[NH2+]C[C@H]1C CCC[*:1] C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCO[*:1]
CCCOCCC(=O)N[C@H]1CC[NH2+]C[C@H]1C CCCOC[*:1] C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C[*:1]
CCCn1c(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nc2ccccc2c1=O Clc1cccc(c1)[*:1] CCCn1c(nc2ccccc2c1=O)SCC(=O)N1CCN(CC1)[*:1]
CCCn1c(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nc2ccccc2c1=O CCC[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])N1CCN(CC1)c1cccc(Cl)c1
C[C@H](CC1CCCCC1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C C1CCC(CC1)[*:1] C[C@H](C[*:1])C(=O)NCc1ccccc1S(=O)(=O)N(C)C
C[C@H](CC1CCCCC1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] C[C@H](CC1CCCCC1)C(=O)NCc1ccccc1[*:1]
C[C@H](CC1CCCCC1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C C1CCC(CC1)C[*:1] C[C@H](C(=O)NCc1ccccc1S(=O)(=O)N(C)C)[*:1]
C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccs1 c1ccc(cc1)O[*:1] C[C@@H](NC(=O)Cn1c(C[*:1])nc2ccccc21)c1cccs1
C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccs1 c1ccc(cc1)OC[*:1] C[C@@H](NC(=O)Cn1c(nc2ccccc21)[*:1])c1cccs1
C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccs1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1c(CO[*:1])nc2ccccc21)c1cccs1
C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)[*:1]
C[C@H]1CN(C[C@@H]2CCCN2Cc2cncs2)C[C@@H](C)O1 c1ncc(C[*:1])s1 C[C@H]1CN(C[C@@H]2CCCN2[*:1])C[C@@H](C)O1
C[C@H]1CN(C[C@@H]2CCCN2Cc2cncs2)C[C@@H](C)O1 c1ncc(s1)[*:1] C[C@H]1CN(C[C@@H]2CCCN2C[*:1])C[C@@H](C)O1
CCN(CC(C)(C)O)C(=O)CNC(=O)Cc1cccc2ccccc12 CC(C)(O)[*:1] CCN(C[*:1])C(=O)CNC(=O)Cc1cccc2ccccc12
CCN(CC(C)(C)O)C(=O)CNC(=O)Cc1cccc2ccccc12 CC(C)(O)C[*:1] CCN(C(=O)CNC(=O)Cc1cccc2ccccc12)[*:1]
COc1ccccc1CNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O COc1ccccc1[*:1] O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)NC[*:1]
COc1ccccc1CNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O COc1ccccc1C[*:1] O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)N[*:1]
Cc1ccc(CNC(=O)N(Cc2ccccc2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)CNC(=O)N(Cc1ccccc1)[*:1]
Cc1ccc(CNC(=O)N(Cc2ccccc2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)N(Cc1ccccc1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)N(Cc2ccccc2)C(C)C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)N(C[*:1])C(C)C
Cc1ccc(CNC(=O)N(Cc2ccccc2)C(C)C)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)CNC(=O)N(C(C)C)[*:1]
CC[C@@H](C)S(=O)(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 Cc1nc(cs1)[*:1] CC[C@@H](C)S(=O)(=O)N1CCc2sc(cc2C1)[*:1]
CC[C@@H](C)[C@H]([NH3+])Cc1ccc(O)cc1 CC[C@@H](C)[*:1] [NH3+][C@H](Cc1ccc(O)cc1)[*:1]
COC1=CC(=O)O[C@@]1(Sc1ccccc1)[C@@H](/C=C\c1ccccc1)OC c1ccc(cc1)[*:1] COC1=CC(=O)O[C@@]1(Sc1ccccc1)[C@@H](C=C[*:1])OC
COC1=CC(=O)O[C@@]1(Sc1ccccc1)[C@@H](/C=C\c1ccccc1)OC C(=C[*:1])c1ccccc1 COC1=CC(=O)O[C@@]1(Sc1ccccc1)[C@@H](OC)[*:1]
COC1=CC(=O)O[C@@]1(Sc1ccccc1)[C@@H](/C=C\c1ccccc1)OC c1ccc(cc1)S[*:1] COC1=CC(=O)O[C@]1([C@@H](/C=C\c1ccccc1)OC)[*:1]
COC1=CC(=O)O[C@@]1(Sc1ccccc1)[C@@H](/C=C\c1ccccc1)OC c1ccc(cc1)[*:1] COC1=CC(=O)O[C@@]1(S[*:1])[C@@H](/C=C\c1ccccc1)OC
C1CN(c2nnc(C3CC3)s2)CC2(C1)OCCO2 C1CC1[*:1] C1CN(CC2(C1)OCCO2)c1nnc(s1)[*:1]
CCOC(=O)[C@H]1C(Cc2ccccc2)=CN=C1C CCOC(=O)[*:1] CC1=NC=C(Cc2ccccc2)[C@@H]1[*:1]
CCOC(=O)[C@H]1C(Cc2ccccc2)=CN=C1C c1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(=CN=C1C)C[*:1]
CN1C(=O)CC[C@H](c2nc(C3CC3)no2)[C@H]1c1cccc(Cl)c1 C1CC1[*:1] CN1C(=O)CC[C@H](c2nc(no2)[*:1])[C@H]1c1cccc(Cl)c1
CN1C(=O)CC[C@H](c2nc(C3CC3)no2)[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN1C(=O)CC[C@H](c2nc(no2)C2CC2)[C@@H]1[*:1]
Cc1nccnc1N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 Cc1nccnc1[*:1] O=C1CC2(CCN(CC2)[*:1])CN1Cc1ccc(Cl)cc1
Cc1nccnc1N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 Clc1ccc(cc1)[*:1] Cc1nccnc1N1CCC2(CC1)CC(=O)N(C2)C[*:1]
Cc1nccnc1N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 Clc1ccc(cc1)C[*:1] Cc1nccnc1N1CCC2(CC1)CC(=O)N(C2)[*:1]
Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1C[C@H]1COc2ccccc2O1 Nc1nccnc1C(=O)O[*:1] Cc1cc(C(=O)C[*:1])c(C)n1C[C@H]1COc2ccccc2O1
Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1C[C@H]1COc2ccccc2O1 Nc1nccnc1[*:1] Cc1cc(C(=O)COC(=O)[*:1])c(C)n1C[C@H]1COc2ccccc2O1
O=C1CCc2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc2N1 O=C(NC1CC1)[*:1] O=C1CCc2cc(ccc2N1)C(=O)Nc1cccc(c1)[*:1]
O=C1CCc2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc2N1 C1CC1[*:1] O=C1CCc2cc(ccc2N1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CC[C@](O)(C1CC1)[C@]1(C#N)CCC[C@H](C)C1 C1CC1[*:1] CC[C@](O)([C@]1(C#N)CCC[C@H](C)C1)[*:1]
Cn1c(SC(c2ccccc2)c2ccccc2)nnc1[C@H]1COc2ccccc2O1 c1ccc(cc1)[*:1] Cn1c(nnc1[C@H]1COc2ccccc2O1)SC(c1ccccc1)[*:1]
Cc1ccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1C(N)=O c1ccc(cc1)C[*:1] Cc1ccc(cc1C(N)=O)NC(=O)NC[C@@H]1CN(CCO1)[*:1]
Cc1ccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1C(N)=O c1ccc(cc1)[*:1] Cc1ccc(cc1C(N)=O)NC(=O)NC[C@@H]1CN(CCO1)C[*:1]
Cc1ccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NC[C@@H]1CN(CCO1)Cc1ccccc1
CCc1cc(NCc2ncc(C(C)(C)C)o2)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CCc1cc(nc(n1)[*:1])NCc1ncc(o1)C(C)(C)C
CCc1cc(NCc2ncc(C(C)(C)C)o2)nc(-c2ccccn2)n1 CC(C)(C)[*:1] CCc1cc(nc(n1)-c1ccccn1)NCc1ncc(o1)[*:1]
CCOc1nc(Cl)nc(OCC(C)(C)[NH+](C)C)n1 CCO[*:1] C[NH+](C)C(C)(C)COc1nc(Cl)nc(n1)[*:1]
CN(CC(C)(C)O)S(=O)(=O)C1CC1 CC(C)(O)[*:1] CN(C[*:1])S(=O)(=O)C1CC1
CN(CC(C)(C)O)S(=O)(=O)C1CC1 C1CC1[*:1] CN(CC(C)(C)O)S(=O)(=O)[*:1]
Cc1nc(C)c(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)o1 Cc1nc(C)c(o1)[*:1] O=C(N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
Cc1nc(C)c(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)o1 FC(F)(F)[*:1] Cc1nc(C)c(o1)C(=O)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2cc(OC)c(OC)cc21 CC(C)[*:1] CCn1/c(=N/C(=O)c2ccc(cc2)S(=O)(=O)[*:1])sc2cc(OC)c(cc21)OC
CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2cc(OC)c(OC)cc21 CC(C)S(=O)(=O)[*:1] CCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cc(OC)c(cc21)OC
O=c1cc(-c2cccnc2)nc(-c2ccccc2)[nH]1 c1cncc(c1)[*:1] O=c1cc(nc([nH]1)-c1ccccc1)[*:1]
O=c1cc(-c2cccnc2)nc(-c2ccccc2)[nH]1 c1ccc(cc1)[*:1] O=c1cc(nc([nH]1)[*:1])-c1cccnc1
COc1ccc(NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c(Cl)c1 COc1ccc(c(Cl)c1)[*:1] C[C@H]1CN(Cc2ccc(cc2)C(=O)N[*:1])C[C@H](C)O1
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCc1cscn1 c1nc(cs1)[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCc1cscn1 Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NNC(=O)NCc1cscn1
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCc1cscn1 c1nc(cs1)C[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)N[*:1]
CCC[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1nnc2ccccn12 CCC[*:1] c1ccc(cc1)-n1ccc(C[NH2+][C@@H](c2nnc3ccccn23)[*:1])n1
CCC[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1nnc2ccccn12 c1ccc(cc1)[*:1] CCC[C@@H]([NH2+]Cc1ccn(n1)[*:1])c1nnc2ccccn12
CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1 CCCC(=O)NC[*:1] COc1cccc(C(=O)N2CCC[C@H](C2)[*:1])c1OC
CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1 CCCC(=O)N[*:1] COc1cccc(C(=O)N2CCC[C@H](C2)C[*:1])c1OC
CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1 CCC[*:1] COc1cccc(C(=O)N2CCC[C@@H](CNC(=O)[*:1])C2)c1OC
CCN(CC1CC[NH2+]CC1)C(=O)[C@H]1CCCS1 C1CS[C@H](C1)[*:1] CCN(CC1CC[NH2+]CC1)C(=O)[*:1]
Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2C)c1 NC(=O)C[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)Sc1nnc(C[*:1])n1C
Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2C)c1 NC(=O)CC[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)Sc1nnc(n1C)[*:1]
Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2C)c1 Cc1cccc(c1)[*:1] C[C@@H](Sc1nnc(CCC(N)=O)n1C)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2C)c1 NC(=O)[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)Sc1nnc(CC[*:1])n1C
COc1cc(NC(=O)C2=C(C)[C@H](S(=O)(=O)N3CCC(C)CC3)C(C)=N2)cc(OC)c1OC CC1CCN(CC1)S(=O)(=O)[*:1] COc1cc(cc(OC)c1OC)NC(=O)C1N=C(C)[C@@H](C=1C)[*:1]
CC(C)c1cccc(C(C)C)c1NC(=S)NC1CCCCC1 CC(C)[*:1] CC(C)c1cccc(c1NC(=S)NC1CCCCC1)[*:1]
CC(C)c1cccc(C(C)C)c1NC(=S)NC1CCCCC1 C1CCC(CC1)[*:1] CC(C)c1cccc(c1NC(=S)N[*:1])C(C)C
CCN(C)S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 Clc1ccccc1[*:1] CCN(C)S(=O)(=O)NCC1CC[NH+](CC1)C[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)C1 c1ccc(cc1)O[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[NH2+]Cc1cccc(c1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)C1 CS(=O)(=O)[*:1] c1ccc(cc1)Oc1cccc(c1)C[NH2+][C@@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)C1 c1ccc(cc1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[NH2+]Cc1cccc(c1)O[*:1]
O=C(NCC1CCCCC1)c1cnn2c1CN(C(=O)c1ccccc1)CC2 C1CCC(CC1)[*:1] O=C(NC[*:1])c1cnn2CCN(Cc12)C(=O)c1ccccc1
O=C(NCC1CCCCC1)c1cnn2c1CN(C(=O)c1ccccc1)CC2 c1ccc(cc1)[*:1] O=C(NCC1CCCCC1)c1cnn2CCN(Cc12)C(=O)[*:1]
O=C(NCC1CCCCC1)c1cnn2c1CN(C(=O)c1ccccc1)CC2 C1CCC(CC1)C[*:1] O=C(N[*:1])c1cnn2CCN(Cc12)C(=O)c1ccccc1
O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=c1c2cc(ccc2ncn1C[*:1])[N+](=O)[O-]
O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1cccc(Cl)c1 O=[N+]([O-])[*:1] O=c1c2cc(ccc2ncn1Cc1cccc(Cl)c1)[*:1]
CCOc1ccccc1[C@H](CC)NC(=O)N[C@@H]1CCCC[C@@H]1CO CCO[*:1] CC[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)c1ccccc1[*:1]
O=[N+]([O-])c1ccc(-[n+]2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(c(c1)[*:1])-[n+]1ccc(cc1)-c1ccncc1
O=[N+]([O-])c1ccc(-[n+]2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1-[n+]1ccc(cc1)-c1ccncc1)[*:1]
O=[N+]([O-])c1ccc(-[n+]2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 c1cc(ccn1)[*:1] O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])-[n+]1ccc(cc1)[*:1]
C=CCOc1cccc(NC(=O)CN2CCCOC2=O)c1 C=CC[*:1] O=C(CN1CCCOC1=O)Nc1cccc(c1)O[*:1]
C=CCOc1cccc(NC(=O)CN2CCCOC2=O)c1 C=CCO[*:1] O=C(CN1CCCOC1=O)Nc1cccc(c1)[*:1]
C=CCOc1cccc(NC(=O)CN2CCCOC2=O)c1 O=C1OCCCN1[*:1] C=CCOc1cccc(c1)NC(=O)C[*:1]
CCOC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 CCOC(=O)[*:1] C[C@H](Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1)[*:1]
CCOC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 Brc1cccc(c1)C[*:1] CCOC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
CCOC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 Brc1cccc(c1)[*:1] CCOC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C Clc1cccc(c1)[*:1] Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H](O[*:1])C(C)C
Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C Cc1noc(C)c1C[*:1] CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C CC(C)[*:1] Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H](Oc1cccc(Cl)c1)[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C Cc1noc(C)c1[*:1] CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)C[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C Clc1cccc(c1)O[*:1] Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H](C(C)C)[*:1]
C[C@H]1C[C@H]1C(=O)N(C)[C@@H](C)c1ccco1 C[C@H]1C[C@@H]1[*:1] C[C@@H](c1ccco1)N(C)C(=O)[*:1]
C[C@H]1C[C@H]1C(=O)N(C)[C@@H](C)c1ccco1 c1coc(c1)[*:1] C[C@H]1C[C@H]1C(=O)N(C)[C@@H](C)[*:1]
C[C@H]([NH2+][C@H](CO)c1ccccc1F)c1ccc2c(c1)CCC2 Fc1ccccc1[*:1] C[C@H]([NH2+][C@H](CO)[*:1])c1ccc2CCCc2c1
Cc1cccc(NNC(=O)c2sc(Cc3ccccc3)nc2C)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NNC(=O)c1sc(nc1C)[*:1]
Cc1cccc(NNC(=O)c2sc(Cc3ccccc3)nc2C)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NNC(=O)c1sc(C[*:1])nc1C
Cc1cccc(NNC(=O)c2sc(Cc3ccccc3)nc2C)c1 Cc1cccc(c1)[*:1] Cc1nc(Cc2ccccc2)sc1C(=O)NN[*:1]
Cc1cc(C)n2nc(SCc3nnc(-c4cccs4)o3)nc2n1 c1csc(c1)[*:1] Cc1cc(C)n2nc(nc2n1)SCc1nnc(o1)[*:1]
COc1cc(C(=O)N[C@@H]2CCCNC2=O)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)N[C@@H]1CCCNC1=O
COc1cc(C(=O)N[C@@H]2CCCNC2=O)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)N[C@@H]1CCCNC1=O
CCc1cnc(CCNC(=O)N[C@H](C)[C@@H](C)c2ccccc2)s1 c1ccc(cc1)[*:1] CCc1cnc(CCNC(=O)N[C@H](C)[C@@H](C)[*:1])s1
CCc1cnc(CCNC(=O)N[C@H](C)[C@@H](C)c2ccccc2)s1 CCc1cnc(s1)[*:1] C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NCC[*:1]
Cc1cc(C)n2nc(SCc3nnc(-c4ccc(Br)cc4)o3)nc2n1 Brc1ccc(cc1)[*:1] Cc1cc(C)n2nc(nc2n1)SCc1nnc(o1)[*:1]
COc1cccc(C(=O)N[C@@H](C#N)c2ccccc2C)c1 Cc1ccccc1[*:1] COc1cccc(c1)C(=O)N[C@@H](C#N)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1F O=C([O-])[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1F)[*:1]
CCCNC(=O)c1cnn2c(=O)c3c(n(CC)c12)CCN(C)C3 CCCNC(=O)[*:1] CCn1c2CCN(C)Cc2c(=O)n2ncc(c12)[*:1]
CCCNC(=O)c1cnn2c(=O)c3c(n(CC)c12)CCN(C)C3 CCC[*:1] CCn1c2CCN(C)Cc2c(=O)n2ncc(C(=O)N[*:1])c12
CC(C)c1nc(COc2cccc(C(=O)NC[C@@H](C)O)c2)cs1 CC(C)[*:1] C[C@@H](O)CNC(=O)c1cccc(c1)OCc1csc(n1)[*:1]
CC(C)c1nc(COc2cccc(C(=O)NC[C@@H](C)O)c2)cs1 C[C@@H](O)C[*:1] CC(C)c1nc(cs1)COc1cccc(c1)C(=O)N[*:1]
CC(C)c1nc(COc2cccc(C(=O)NC[C@@H](C)O)c2)cs1 C[C@@H](O)[*:1] CC(C)c1nc(cs1)COc1cccc(c1)C(=O)NC[*:1]
CC(C)c1nc(COc2cccc(C(=O)NC[C@@H](C)O)c2)cs1 C[C@@H](O)CNC(=O)[*:1] CC(C)c1nc(cs1)COc1cccc(c1)[*:1]
Cc1cccc(NC(=O)CCC2CCN(C(=O)C3CCCC3)CC2)c1 C1CCC(C1)[*:1] Cc1cccc(c1)NC(=O)CCC1CCN(CC1)C(=O)[*:1]
Cc1cccc(NC(=O)CCC2CCN(C(=O)C3CCCC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CCC1CCN(CC1)C(=O)C1CCCC1)N[*:1]
Cc1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)c(=O)[nH]1 Clc1ccccc1[*:1] Cc1ccc(C(=O)NCCNC(=O)[*:1])c(=O)[nH]1
CCc1sc(C(=O)N(c2ccc(C#N)cc2)C2CC2)cc1C C1CC1[*:1] CCc1sc(cc1C)C(=O)N(c1ccc(C#N)cc1)[*:1]
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2F)c1 Cc1cccc(c1)[*:1] O=C(N/N=C/c1ccccc1F)C(=O)N[*:1]
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1cccc(c1)NC(=O)C(=O)NN=C[*:1]
CC[C@H](C)NC(=O)[C@H](C)Sc1nc(-c2ccc(OC)cc2)n[nH]1 CC[C@H](C)NC(=O)[*:1] COc1ccc(cc1)-c1n[nH]c(n1)S[C@@H](C)[*:1]
CC[C@H](C)NC(=O)[C@H](C)Sc1nc(-c2ccc(OC)cc2)n[nH]1 CC[C@H](C)[*:1] COc1ccc(cc1)-c1n[nH]c(n1)S[C@@H](C)C(=O)N[*:1]
O=C(COc1ccc(Br)cc1Cl)NNC(=O)Cc1ccc(Cl)cc1 Clc1cc(Br)ccc1[*:1] O=C(CO[*:1])NNC(=O)Cc1ccc(Cl)cc1
O=C(COc1ccc(Br)cc1Cl)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1Cl)NNC(=O)C[*:1]
O=C(COc1ccc(Br)cc1Cl)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(COc1ccc(Br)cc1Cl)NNC(=O)[*:1]
COc1cccc(Oc2ccc(CNC(=O)/C=C/c3ccc(C)o3)cn2)c1 COc1cccc(c1)O[*:1] Cc1ccc(/C=C/C(=O)NCc2ccc(nc2)[*:1])o1
COc1cccc(Oc2ccc(CNC(=O)/C=C/c3ccc(C)o3)cn2)c1 Cc1ccc(o1)[*:1] COc1cccc(c1)Oc1ccc(cn1)CNC(=O)C=C[*:1]
COc1cccc(Oc2ccc(CNC(=O)/C=C/c3ccc(C)o3)cn2)c1 COc1cccc(c1)[*:1] Cc1ccc(/C=C/C(=O)NCc2ccc(nc2)O[*:1])o1
COc1cccc(Oc2ccc(CNC(=O)/C=C/c3ccc(C)o3)cn2)c1 Cc1ccc(C=C[*:1])o1 COc1cccc(c1)Oc1ccc(cn1)CNC(=O)[*:1]
C[C@H](NC(=O)C[S@@](=O)Cc1cc(-c2ccccc2)on1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(C[S@@](=O)Cc1cc(on1)-c1ccccc1)N[*:1]
C[C@H](NC(=O)C[S@@](=O)Cc1cc(-c2ccccc2)on1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C[S@@](=O)Cc1cc(on1)[*:1])c1ccccc1
C[C@H](NC(=O)C[S@@](=O)Cc1cc(-c2ccccc2)on1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C[S@@](=O)Cc1cc(on1)-c1ccccc1)[*:1]
CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@@H](C)NS(=O)(=O)[*:1]
Cc1ccc(NC(=O)C(=O)NCc2ccnn2C)cc1Br Cn1nccc1[*:1] Cc1ccc(cc1Br)NC(=O)C(=O)NC[*:1]
Cc1ccc(NC(=O)C(=O)NCc2ccnn2C)cc1Br Cn1nccc1C[*:1] Cc1ccc(cc1Br)NC(=O)C(=O)N[*:1]
C[C@@H]1Oc2ccccc2N(CCC(=O)O[C@@H](C)c2nccs2)C1=O c1csc(n1)[*:1] C[C@@H]1Oc2ccccc2N(CCC(=O)O[C@@H](C)[*:1])C1=O
C[C@@H]1Oc2ccccc2N(CCC(=O)O[C@@H](C)c2nccs2)C1=O C[C@@H](c1nccs1)[*:1] C[C@@H]1Oc2ccccc2N(CCC(=O)O[*:1])C1=O
COc1ccc(Br)cc1N[C@@H](C)c1nc(C(C)C)no1 CC(C)[*:1] COc1ccc(Br)cc1N[C@@H](C)c1nc(no1)[*:1]
CO[C@]1(C)C[C@@H](NC(=O)CCCNC(=O)c2ccsc2)C1(C)C c1cc(cs1)[*:1] CO[C@]1(C)C[C@@H](NC(=O)CCCNC(=O)[*:1])C1(C)C
CC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O O=[N+]([O-])[*:1] CC(=O)CN1C(=O)c2ccc(cc2C1=O)[*:1]
CC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O CC(=O)C[*:1] O=C1c2ccc(cc2C(=O)N1[*:1])[N+](=O)[O-]
CC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O CC(=O)[*:1] O=C1c2ccc(cc2C(=O)N1C[*:1])[N+](=O)[O-]
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(C(N)=O)c1 NC(=O)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(c1)[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(C(N)=O)c1 C[C@@H]1C[C@H]1[*:1] NC(=O)c1cc(ccc1F)NC(=O)[*:1]
CCCCCNC(=O)C[NH+]1CCOc2ccccc2C1 CCCCC[*:1] O=C(C[NH+]1CCOc2ccccc2C1)N[*:1]
CCCCCNC(=O)C[NH+]1CCOc2ccccc2C1 CCC[*:1] O=C(C[NH+]1CCOc2ccccc2C1)NCC[*:1]
CCCCCNC(=O)C[NH+]1CCOc2ccccc2C1 CCCC[*:1] O=C(C[NH+]1CCOc2ccccc2C1)NC[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@@H](C)Sc1ccccc1 c1ccc(cc1)S[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@@H](C)[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@@H](C)Sc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@@H](C)S[*:1]
Cc1cc(NC(=O)CC[NH+]2CCN([C@@H](C)c3cccnc3)CC2)no1 c1cncc(c1)[*:1] Cc1cc(no1)NC(=O)CC[NH+]1CCN(CC1)[C@@H](C)[*:1]
Cc1cc(NC(=O)CC[NH+]2CCN([C@@H](C)c3cccnc3)CC2)no1 C[C@@H](c1cccnc1)[*:1] Cc1cc(no1)NC(=O)CC[NH+]1CCN(CC1)[*:1]
Cc1cc(NC(=O)CC[NH+]2CCN([C@@H](C)c3cccnc3)CC2)no1 Cc1cc(no1)[*:1] C[C@@H](c1cccnc1)N1CC[NH+](CCC(=O)N[*:1])CC1
CCN(C(=O)c1cc(C)nc2c1nc1n2CCCCC1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(C(=O)c1cc(C)nc2c1nc1CCCCCn12)[C@H](C)[*:1]
CCN(C(=O)c1cc(C)nc2c1nc1n2CCCCC1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(C(=O)c1cc(C)nc2c1nc1CCCCCn12)[C@H](C)C[*:1]
CC(C)OCCS(=O)(=O)[N-]c1nccnc1C(=O)[O-] CC(C)O[*:1] O=C([O-])c1nccnc1[N-]S(=O)(=O)CC[*:1]
CC(C)OCCS(=O)(=O)[N-]c1nccnc1C(=O)[O-] CC(C)OCC[*:1] O=C([O-])c1nccnc1[N-]S(=O)(=O)[*:1]
CC(C)OCCS(=O)(=O)[N-]c1nccnc1C(=O)[O-] O=C([O-])[*:1] CC(C)OCCS(=O)(=O)[N-]c1nccnc1[*:1]
CC(C)OCCS(=O)(=O)[N-]c1nccnc1C(=O)[O-] CC(C)OC[*:1] O=C([O-])c1nccnc1[N-]S(=O)(=O)C[*:1]
CC(C)OCCS(=O)(=O)[N-]c1nccnc1C(=O)[O-] CC(C)[*:1] O=C([O-])c1nccnc1[N-]S(=O)(=O)CCO[*:1]
COC[C@]1(Br)C=CC=CC1 COC[*:1] Br[C@@]1(C=CC=CC1)[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc[n+]([O-])c1 [O-][n+]1cccc(c1)[*:1] COc1ccc(cc1NC(=O)[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc[n+]([O-])c1 CC(C)(C)[*:1] COc1ccc(cc1NC(=O)c1ccc[n+]([O-])c1)[*:1]
Cn1c(COc2ccc([N+](=O)[O-])cc2)c(Br)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(COc2ccc(cc2)[N+](=O)[O-])c(Br)c(=O)n1[*:1]
Cn1c(COc2ccc([N+](=O)[O-])cc2)c(Br)c(=O)n1-c1ccccc1 O=[N+]([O-])[*:1] Cn1c(COc2ccc(cc2)[*:1])c(Br)c(=O)n1-c1ccccc1
C=C(C)COC(=O)c1cc(N2CCCC2=O)ccc1Cl C=C(C)C[*:1] O=C(O[*:1])c1cc(ccc1Cl)N1CCCC1=O
C=C(C)COC(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] C=C(C)COC(=O)c1cc(ccc1Cl)[*:1]
C=C(C)COC(=O)c1cc(N2CCCC2=O)ccc1Cl C=C(C)[*:1] O=C(OC[*:1])c1cc(ccc1Cl)N1CCCC1=O
Cc1noc([C@@H](OC(=O)c2cn(C)nc2C)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@@H](OC(=O)c1cn(C)nc1C)[*:1]
Cc1noc([C@@H](OC(=O)c2cn(C)nc2C)c2ccccc2)n1 Cc1noc(n1)[*:1] Cc1nn(C)cc1C(=O)O[C@@H](c1ccccc1)[*:1]
Cc1noc([C@@H](OC(=O)c2cn(C)nc2C)c2ccccc2)n1 Cc1nn(C)cc1[*:1] Cc1noc(n1)[C@@H](OC(=O)[*:1])c1ccccc1
CCc1onc(C)c1NC(=O)N1C[C@H](C)N(CCOC)[C@H](C)C1 COCC[*:1] CCc1onc(C)c1NC(=O)N1C[C@H](C)N([C@H](C)C1)[*:1]
CCc1onc(C)c1NC(=O)N1C[C@H](C)N(CCOC)[C@H](C)C1 COC[*:1] CCc1onc(C)c1NC(=O)N1C[C@H](C)N(C[*:1])[C@H](C)C1
CCN(CC)S(=O)(=O)c1ccc(/N=C/c2c[nH]c3ccccc23)cc1 CCN(CC)S(=O)(=O)[*:1] C(=N/c1ccc(cc1)[*:1])\c1c[nH]c2ccccc12
O=C(Nc1ccc(F)cc1)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(Nc1ccc(F)cc1)c1cc([nH]n1)[*:1]
C[C@H](NC(=O)NCc1ccnc(OC(C)(C)C)c1)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@H](NC(=O)NCc1ccnc(c1)OC(C)(C)C)[*:1]
C[C@H](NC(=O)NCc1ccnc(OC(C)(C)C)c1)[C@@H]1CCOC1 CC(C)(C)O[*:1] C[C@H](NC(=O)NCc1ccnc(c1)[*:1])[C@@H]1CCOC1
C[C@H](NC(=O)NCc1ccnc(OC(C)(C)C)c1)[C@@H]1CCOC1 CC(C)(C)[*:1] C[C@H](NC(=O)NCc1ccnc(c1)O[*:1])[C@@H]1CCOC1
O=C(NCc1ccncc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 c1cc(ccn1)C[*:1] O=C(N[*:1])[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2
O=C(NCc1ccncc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 O=C(NCc1ccncc1)[*:1] O=C1c2ccccc2[C@@H](C2(CCCCC2)N1Cc1ccccc1)[*:1]
O=C(NCc1ccncc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 c1ccc(cc1)C[*:1] O=C(NCc1ccncc1)[C@H]1c2ccccc2C(=O)N(C12CCCCC2)[*:1]
O=C(NCc1ccncc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 c1cc(ccn1)[*:1] O=C(NC[*:1])[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2
O=C(NCc1ccncc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 c1ccc(cc1)[*:1] O=C(NCc1ccncc1)[C@H]1c2ccccc2C(=O)N(C[*:1])C12CCCCC2
CC[NH+](CC)Cc1cccc(NC(=O)CNC(C)=O)c1 CC(=O)N[*:1] CC[NH+](CC)Cc1cccc(c1)NC(=O)C[*:1]
CC[NH+](CC)Cc1cccc(NC(=O)CNC(C)=O)c1 CC(=O)NC[*:1] CC[NH+](CC)Cc1cccc(c1)NC(=O)[*:1]
COCC(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 COCC(=O)N[*:1] C[C@H](c1ccc(cc1)NC(=O)Nc1ccccc1)[*:1]
COCC(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 COC[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)NC(=O)Nc1ccccc1
COCC(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 COCC(=O)N[C@H](C)[*:1] O=C(Nc1ccccc1)Nc1ccc(cc1)[*:1]
COCC(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] COCC(=O)N[C@H](C)c1ccc(cc1)NC(=O)N[*:1]
Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@H]2c1cnc(-c2ccccn2)nc1 c1ccc(nc1)[*:1] Cn1nc(c2c1NC(=O)C[C@H]2c1cnc(nc1)[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@H]2c1cnc(-c2ccccn2)nc1 CC(C)(C)[*:1] Cn1nc(c2c1NC(=O)C[C@H]2c1cnc(nc1)-c1ccccn1)[*:1]
Cc1ccc([C@H](O)CN2CCC[C@H](CN3CCOCC3)C2)c(C)c1 C1CN(CCO1)C[*:1] Cc1ccc(c(C)c1)[C@H](O)CN1CCC[C@H](C1)[*:1]
Cc1ccc([C@H](O)CN2CCC[C@H](CN3CCOCC3)C2)c(C)c1 C1CN(CCO1)[*:1] Cc1ccc(c(C)c1)[C@H](O)CN1CCC[C@@H](C1)C[*:1]
Cc1ccc([C@H](O)CN2CCC[C@H](CN3CCOCC3)C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O[C@H](CN1CCC[C@H](CN2CCOCC2)C1)[*:1]
COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] COc1cc(c(Cl)cc1C(=O)N(C)[C@@H](c1ccccn1)[*:1])-n1cccc1
COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] COc1cc(c(Cl)cc1C(=O)N(C)[C@@H](c1ccccc1)[*:1])-n1cccc1
COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 c1ccn(c1)[*:1] COc1cc(c(Cl)cc1C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cncc2ccccc12 CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)Nc1cncc2ccccc12)[*:1]
O=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1nc(-c2ccccc2)cs1 Fc1cccc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1nc(cs1)-c1ccccc1
O=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1cccc(F)c1)Nc1nc(cs1)[*:1]
O=C(CCn1nnc(-c2ccsc2)n1)Nc1ccc2c(c1)OCO2 c1cc(cs1)[*:1] O=C(CCn1nnc(n1)[*:1])Nc1ccc2OCOc2c1
CCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 CCCC[*:1] O=C(C[*:1])Oc1cccc(c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O
CCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 CCCCCC(=O)O[*:1] O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cccc(c1)[*:1]
CCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 CCCCC[*:1] O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cccc(c1)OC(=O)[*:1]
CCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 CCC[*:1] O=C(CC[*:1])Oc1cccc(c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O
Cn1cc[nH+]c1CN1CCC[C@@](O)(CNS(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cn1cc[nH+]c1CN1CCC[C@](O)(CC1)CNS(=O)(=O)[*:1]
CCCCN(CCO)C(=O)N[C@H](C)c1ccccc1Cl CCC[*:1] C[C@@H](NC(=O)N(CCO)C[*:1])c1ccccc1Cl
CCCCN(CCO)C(=O)N[C@H](C)c1ccccc1Cl OCC[*:1] CCCCN(C(=O)N[C@H](C)c1ccccc1Cl)[*:1]
CCCCN(CCO)C(=O)N[C@H](C)c1ccccc1Cl CCCC[*:1] C[C@@H](NC(=O)N(CCO)[*:1])c1ccccc1Cl
Cc1ccc(N2CC[C@@H](NC(=O)c3ncccc3OC(C)C)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)Oc1cccnc1C(=O)N[C@@H]1CCN(C1=O)[*:1]
Cc1ccc(N2CC[C@@H](NC(=O)c3ncccc3OC(C)C)C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)N1CC[C@@H](NC(=O)c2ncccc2O[*:1])C1=O
Cc1ccc(N2CC[C@@H](NC(=O)c3ncccc3OC(C)C)C2=O)cc1 CC(C)O[*:1] Cc1ccc(cc1)N1CC[C@@H](NC(=O)c2ncccc2[*:1])C1=O
C[C@@H]([NH2+]CCN1C(=O)CCC1=O)c1cccc(-c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]CCN1C(=O)CCC1=O)c1cccc(c1)[*:1]
C[C@@H]([NH2+]CCN1C(=O)CCC1=O)c1cccc(-c2ccccc2)c1 O=C1CCC(=O)N1[*:1] C[C@@H]([NH2+]CC[*:1])c1cccc(c1)-c1ccccc1
C[C@@H]([NH2+]CCN1C(=O)CCC1=O)c1cccc(-c2ccccc2)c1 O=C1CCC(=O)N1C[*:1] C[C@@H]([NH2+]C[*:1])c1cccc(c1)-c1ccccc1
CN1CCC(CNC(=O)CCCC2CCCC2)([NH+]2CCCCC2)CC1 C1CCC(C1)CC[*:1] CN1CCC(CC1)(CNC(=O)C[*:1])[NH+]1CCCCC1
CN1CCC(CNC(=O)CCCC2CCCC2)([NH+]2CCCCC2)CC1 C1CCC(C1)[*:1] CN1CCC(CC1)(CNC(=O)CCC[*:1])[NH+]1CCCCC1
CN1CCC(CNC(=O)CCCC2CCCC2)([NH+]2CCCCC2)CC1 C1CCC(C1)CCC[*:1] CN1CCC(CC1)(CNC(=O)[*:1])[NH+]1CCCCC1
CN1CCC(CNC(=O)CCCC2CCCC2)([NH+]2CCCCC2)CC1 C1CCC(C1)C[*:1] CN1CCC(CC1)(CNC(=O)CC[*:1])[NH+]1CCCCC1
Cc1cc(C)n2c(SCC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)nnc2n1 c1ccc2sc(nc2c1)[*:1] Cc1cc(C)n2c(nnc2n1)SCC(=O)N1CCC[C@H](C1)[*:1]
C[C@H](Cc1ccccn1)NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 c1ccc(C[*:1])nc1 C[C@H](NC(=O)c1ccc2nc(cn2c1)-c1ccc(F)cc1)[*:1]
C[C@H](Cc1ccccn1)NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 Fc1ccc(cc1)[*:1] C[C@H](Cc1ccccn1)NC(=O)c1ccc2nc(cn2c1)[*:1]
C[C@H](Cc1ccccn1)NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 c1ccc(nc1)[*:1] C[C@H](C[*:1])NC(=O)c1ccc2nc(cn2c1)-c1ccc(F)cc1
CSc1ccc(C)c(NC(=O)[C@H]2C[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] CSc1ccc(C)c(c1)NC(=O)[C@H]1C[C@@H]1[*:1]
Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1Cc1ccc2c(c1)OCO2 Nc1cc(=O)[nH]c(n1)S[*:1] Cc1cc(C(=O)C[*:1])c(C)n1Cc1ccc2OCOc2c1
Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1Cc1ccc2c(c1)OCO2 Nc1cc(=O)[nH]c(n1)[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1Cc1ccc2OCOc2c1
Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1C[*:1]
CCOc1ncc(Cl)cc1[C@@H]1OC(=O)NC1=O CCO[*:1] O=C1NC(=O)[C@@H](O1)c1cc(Cl)cnc1[*:1]
Cc1ccc(Cc2cnc(NC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)s2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ncc(C[*:1])s1
Cc1ccc(Cc2cnc(NC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)s2)cc1 Cc1ccc(cc1)C[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ncc(s1)[*:1]
CNc1ncc(C(=O)Nc2nnc([C@H](C)Oc3ccccc3)s2)cn1 c1ccc(cc1)[*:1] CNc1ncc(cn1)C(=O)Nc1nnc(s1)[C@H](C)O[*:1]
CNc1ncc(C(=O)Nc2nnc([C@H](C)Oc3ccccc3)s2)cn1 c1ccc(cc1)O[*:1] CNc1ncc(cn1)C(=O)Nc1nnc(s1)[C@H](C)[*:1]
CNc1ncc(C(=O)Nc2nnc([C@H](C)Oc3ccccc3)s2)cn1 CNc1ncc(cn1)[*:1] C[C@H](Oc1ccccc1)c1nnc(NC(=O)[*:1])s1
COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1ccc(OC)c(c1)[C@@H]1NC(=S)NC(C)=C1C(=O)N[*:1]
O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(Cl)cc1 c1cnn(c1)[*:1] O=S(=O)(Nc1ccc(cc1)Nc1ccc(nn1)[*:1])c1ccc(Cl)cc1
O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)Nc1ccc(nn1)-n1cccn1)[*:1]
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CC1=c2ccccc2=[NH+]C1 CC(C)O[*:1] O=C(CC1C[NH+]=c2ccccc2=1)Nc1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CC1=c2ccccc2=[NH+]C1 CC(C)[*:1] O=C(CC1C[NH+]=c2ccccc2=1)Nc1cc(ccc1O[*:1])S(=O)(=O)N1CCCCC1
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CC1=c2ccccc2=[NH+]C1 O=S(=O)(N1CCCCC1)[*:1] CC(C)Oc1ccc(cc1NC(=O)CC1C[NH+]=c2ccccc2=1)[*:1]
CC(=O)N1CCC[C@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 c1ccc(cc1)C[*:1] CC(=O)N1CCC[C@@H](C1)C(=O)N1CCC(CC1)O[*:1]
CC(=O)N1CCC[C@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 c1ccc(cc1)[*:1] CC(=O)N1CCC[C@@H](C1)C(=O)N1CCC(CC1)OC[*:1]
CC(=O)N1CCC[C@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 c1ccc(cc1)CO[*:1] CC(=O)N1CCC[C@@H](C1)C(=O)N1CCC(CC1)[*:1]
CC(=O)Nc1cccc(NC(=O)CCNC(=O)c2ccco2)c1 CC(=O)N[*:1] O=C(CCNC(=O)c1ccco1)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)CCNC(=O)c2ccco2)c1 c1coc(c1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CCNC(=O)[*:1]
CCOc1ccc(F)c(C(=O)Nc2nnc(C(C)(C)C)s2)c1F CC(C)(C)[*:1] CCOc1ccc(F)c(C(=O)Nc2nnc(s2)[*:1])c1F
CCOc1ccc(F)c(C(=O)Nc2nnc(C(C)(C)C)s2)c1F CCO[*:1] CC(C)(C)c1nnc(NC(=O)c2c(F)ccc(c2F)[*:1])s1
CCOc1ccccc1[C@H](CC(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC(C)=O CC(=O)N[*:1] CCOc1ccccc1[C@H](CC(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[*:1]
CCOc1ccccc1[C@H](CC(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC(C)=O CCO[*:1] CC(=O)N[C@@H](CC(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1[*:1]
CCOc1ccccc1[C@H](CC(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC(C)=O CCOc1ccccc1[*:1] CC(=O)N[C@@H](CC(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[*:1]
c1ccc(C[NH+](Cc2cnc3cnccn23)C2CCCCC2)cc1 C1CCC(CC1)[*:1] c1ccc(cc1)C[NH+](Cc1cnc2cnccn12)[*:1]
c1ccc(C[NH+](Cc2cnc3cnccn23)C2CCCCC2)cc1 c1ccc(cc1)C[*:1] c1cn2c(cnc2cn1)C[NH+](C1CCCCC1)[*:1]
c1ccc(C[NH+](Cc2cnc3cnccn23)C2CCCCC2)cc1 c1ccc(cc1)[*:1] c1cn2c(cnc2cn1)C[NH+](C[*:1])C1CCCCC1
C[C@@H](c1ccccn1)S(=O)(=O)N1CC[NH2+]C[C@@H]1C(=O)[O-] c1ccc(nc1)[*:1] C[C@@H](S(=O)(=O)N1CC[NH2+]C[C@@H]1C(=O)[O-])[*:1]
C[C@@H](c1ccccn1)S(=O)(=O)N1CC[NH2+]C[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@@H](c1ccccn1)S(=O)(=O)N1CC[NH2+]C[C@H]1[*:1]
CCn1nc(C)cc1/C(N)=N/OC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCn1nc(C)cc1/C(N)=N/OC(=O)c1ccc(cc1)[*:1]
CCn1nc(C)cc1/C(N)=N/OC(=O)c1ccc(C(C)(C)C)cc1 CCn1nc(C)cc1[*:1] CC(C)(C)c1ccc(cc1)C(=O)O/N=C(\N)[*:1]
O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cccnc1 O=[N+]([O-])[*:1] O=C(Nc1n[nH]c2ccc(cc12)[*:1])c1cccnc1
O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Cl)c(cc1NC(=O)[C@H](O)[*:1])[N+](=O)[O-]
Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)[C@H](O)c1ccccc1 O=[N+]([O-])[*:1] Cc1cc(Cl)c(cc1NC(=O)[C@H](O)c1ccccc1)[*:1]
CCN(CC)c1nc(Cl)nc(N[C@H]2CCCC2(C)C)n1 CCN(CC)[*:1] CC1(C)CCC[C@@H]1Nc1nc(Cl)nc(n1)[*:1]
N#CCN1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 N#CC[*:1] c1nc(c2c3CCCCc3sc2n1)N1CCN(CC1)[*:1]
O=C(NCCCN1CCCC1=O)c1cn(-c2ccc(Cl)cc2)nn1 O=C1CCCN1C[*:1] O=C(NCC[*:1])c1cn(nn1)-c1ccc(Cl)cc1
O=C(NCCCN1CCCC1=O)c1cn(-c2ccc(Cl)cc2)nn1 Clc1ccc(cc1)[*:1] O=C(NCCCN1CCCC1=O)c1cn(nn1)[*:1]
O=C(NCCCN1CCCC1=O)c1cn(-c2ccc(Cl)cc2)nn1 O=C1CCCN1CC[*:1] O=C(NC[*:1])c1cn(nn1)-c1ccc(Cl)cc1
O=C(NCCCN1CCCC1=O)c1cn(-c2ccc(Cl)cc2)nn1 O=C1CCCN1[*:1] O=C(NCCC[*:1])c1cn(nn1)-c1ccc(Cl)cc1
Cc1nc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)c(=O)[nH]c1C CC(C)(C)[*:1] Cc1nc(C(=O)NC2CCC(CC2)C(=O)O[*:1])c(=O)[nH]c1C
Cc1nc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)c(=O)[nH]c1C CC(C)(C)OC(=O)[*:1] Cc1nc(C(=O)NC2CCC(CC2)[*:1])c(=O)[nH]c1C
COCC[NH2+]CC(=O)N(C)Cc1c(C)noc1C COC[*:1] Cc1noc(C)c1CN(C)C(=O)C[NH2+]C[*:1]
COCC[NH2+]CC(=O)N(C)Cc1c(C)noc1C COCC[*:1] Cc1noc(C)c1CN(C)C(=O)C[NH2+][*:1]
O=S(=O)(/N=C([O-])/C=C/c1ccc2c(c1)OCCO2)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=S(=O)(/N=C([O-])/C=C/c1ccc2OCCOc2c1)[*:1]
Cc1ncc(Cl)c(C(=O)NN)n1 NNC(=O)[*:1] Cc1ncc(Cl)c(n1)[*:1]
C[C@H](CSc1nnc(N)n1C1CC1)c1ccccc1 C1CC1[*:1] C[C@H](CSc1nnc(N)n1[*:1])c1ccccc1
C[C@H](CSc1nnc(N)n1C1CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CSc1nnc(N)n1C1CC1)[*:1]
CCOc1ccc(CC(=O)N[C@@H](CC)c2c(C)nn(C)c2C)cc1 CCO[*:1] CC[C@H](NC(=O)Cc1ccc(cc1)[*:1])c1c(C)nn(C)c1C
CCOc1ccc(CC(=O)N[C@@H](CC)c2c(C)nn(C)c2C)cc1 Cc1nn(C)c(C)c1[*:1] CCOc1ccc(cc1)CC(=O)N[C@@H](CC)[*:1]
CC(=O)N1CCN(C(=O)CCN[C@@H](Cc2ccccc2)C(F)(F)F)CC1 c1ccc(cc1)C[*:1] CC(=O)N1CCN(CC1)C(=O)CCN[C@@H](C(F)(F)F)[*:1]
CC(=O)N1CCN(C(=O)CCN[C@@H](Cc2ccccc2)C(F)(F)F)CC1 FC(F)(F)[*:1] CC(=O)N1CCN(CC1)C(=O)CCN[C@@H](Cc1ccccc1)[*:1]
CC(=O)N1CCN(C(=O)CCN[C@@H](Cc2ccccc2)C(F)(F)F)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)CCN[C@@H](C[*:1])C(F)(F)F
C[NH2+][C@H](COC)[C@@]1(N(C)C)CCC[C@H](C)C1 CN(C)[*:1] C[NH2+][C@H](COC)[C@]1(CCC[C@H](C)C1)[*:1]
C[NH2+][C@H](COC)[C@@]1(N(C)C)CCC[C@H](C)C1 COC[*:1] C[NH2+][C@H]([C@]1(CCC[C@H](C)C1)N(C)C)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nncn2C2CC2)cc1 CC(=O)[*:1] C[C@H](Sc1nncn1C1CC1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nncn2C2CC2)cc1 C1CC1[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](C)Sc1nncn1[*:1]
CCO[C@H](C)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C CCO[C@H](C)OC[*:1] C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)[*:1]
CCO[C@H](C)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C CCO[C@H](C)[*:1] C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO[*:1]
CCO[C@H](C)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C CCO[C@H](C)O[*:1] C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)C[*:1]
CCO[C@H](C)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C CCO[C@H](C)OCC(=O)[*:1] C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@]1(O)[*:1]
CCO[C@H](C)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C CCO[*:1] C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)[C@@]1(O)C(=O)CO[C@@H](C)[*:1]
COC(=O)CNC(=O)[C@H](C)N1CCO[C@H](c2cccc(F)c2)C1 COC(=O)[*:1] C[C@@H](C(=O)NC[*:1])N1CCO[C@@H](C1)c1cccc(F)c1
COC(=O)CNC(=O)[C@H](C)N1CCO[C@H](c2cccc(F)c2)C1 COC(=O)C[*:1] C[C@@H](C(=O)N[*:1])N1CCO[C@@H](C1)c1cccc(F)c1
COC(=O)CNC(=O)[C@H](C)N1CCO[C@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] COC(=O)CNC(=O)[C@H](C)N1CCO[C@H](C1)[*:1]
Cc1csc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)n1 Cc1csc(n1)[*:1] O[C@H]1Cc2ccccc2[C@H]1[NH2+]C[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(cc1[*:1])S(=O)(=O)NC
CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] CC[C@@H]([C@@H]1CCCN1c1ccc(cc1[N+](=O)[O-])S(=O)(=O)NC)[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] CC[C@@H](c1ccccc1)[*:1] CNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCC[C@H]1[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] CNS(=O)(=O)[*:1] CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(cc1[N+](=O)[O-])[*:1]
CC(C)(C)c1csc(SCC(=O)c2cc3ccccc3oc2=O)n1 CC(C)(C)[*:1] O=C(CSc1nc(cs1)[*:1])c1cc2ccccc2oc1=O
NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 NC(=O)[*:1] c1ccc(cc1)[C@H]([C@H]1CCCC[NH2+]1)[*:1]
Cc1ccc([C@H]([NH2+]Cc2ccccc2Cn2cccn2)C2CC2)cc1 c1cnn(c1)[*:1] Cc1ccc(cc1)[C@H]([NH2+]Cc1ccccc1C[*:1])C1CC1
Cc1ccc([C@H]([NH2+]Cc2ccccc2Cn2cccn2)C2CC2)cc1 Cc1ccc(cc1)[*:1] c1ccc(Cn2cccn2)c(c1)C[NH2+][C@H](C1CC1)[*:1]
Cc1ccc([C@H]([NH2+]Cc2ccccc2Cn2cccn2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H]([NH2+]Cc1ccccc1Cn1cccn1)[*:1]
Cc1ccc([C@H]([NH2+]Cc2ccccc2Cn2cccn2)C2CC2)cc1 c1cnn(c1)C[*:1] Cc1ccc(cc1)[C@H]([NH2+]Cc1ccccc1[*:1])C1CC1
C[C@H]1CCCC[C@H]1NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)CCNS(=O)(=O)[*:1]
CC(=O)c1cc(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)oc1C c1cn2cc(nc2s1)[*:1] CC(=O)c1cc(CCC(=O)Nc2ccc(cc2)[*:1])oc1C
CC(=O)c1cc(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)oc1C CC(=O)c1cc(oc1C)[*:1] O=C(CC[*:1])Nc1ccc(cc1)-c1cn2ccsc2n1
CC(=O)c1cc(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)oc1C CC(=O)[*:1] Cc1oc(cc1[*:1])CCC(=O)Nc1ccc(cc1)-c1cn2ccsc2n1
COC(=O)[C@H](N[C@H](C)c1cccc(-n2cccn2)c1)c1ccccc1F Fc1ccccc1[*:1] COC(=O)[C@H](N[C@H](C)c1cccc(c1)-n1cccn1)[*:1]
COC(=O)[C@H](N[C@H](C)c1cccc(-n2cccn2)c1)c1ccccc1F COC(=O)[*:1] C[C@@H](N[C@H](c1ccccc1F)[*:1])c1cccc(c1)-n1cccn1
COC(=O)[C@H](N[C@H](C)c1cccc(-n2cccn2)c1)c1ccccc1F c1cnn(c1)[*:1] COC(=O)[C@H](N[C@H](C)c1cccc(c1)[*:1])c1ccccc1F
Cc1nc(C)c(C(=O)N[C@@H](C)c2ccncc2)s1 c1cc(ccn1)[*:1] Cc1nc(C)c(s1)C(=O)N[C@@H](C)[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CCC(CC)C(=O)Nc1ccc(cc1)[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)N(C)C)cc1 CCC(CC)[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1nnc(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)s1 Cc1nnc(s1)[*:1] Cc1nc(NC(=O)[C@H](C)S[*:1])sc1C
CCCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1nnc(C)s1 O=C([O-])[*:1] CCCN1C(=O)/C(=C\c2ccc(cc2)[*:1])S/C1=N\c1nnc(C)s1
CCCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1nnc(C)s1 CCC[*:1] Cc1nnc(/N=C2\S/C(=C/c3ccc(cc3)C(=O)[O-])C(=O)N2[*:1])s1
CCCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1nnc(C)s1 Cc1nnc(s1)[*:1] CCCN1C(=O)/C(=C\c2ccc(cc2)C(=O)[O-])SC1=N[*:1]
Cc1ccc(NC(=O)[C@@H]2Nc3cc(F)ccc3S(=O)(=O)N2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])[C@@H]1Nc2cc(F)ccc2S(=O)(=O)N1
CCCOC(=O)CCNC(=O)[C@@H]1SCCc2sccc21 CCCOC(=O)[*:1] O=C(NCC[*:1])[C@@H]1SCCc2sccc21
CCCOC(=O)CCNC(=O)[C@@H]1SCCc2sccc21 CCC[*:1] O=C(CCNC(=O)[C@@H]1SCCc2sccc21)O[*:1]
N#Cc1ccccc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl N#Cc1ccccc1N[*:1] O=C1c2ccccc2[C@H](N1Cc1ccccc1Cl)[*:1]
N#Cc1ccccc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl Clc1ccccc1C[*:1] N#Cc1ccccc1N[C@@H]1c2ccccc2C(=O)N1[*:1]
N#Cc1ccccc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl N#Cc1ccccc1[*:1] O=C1c2ccccc2[C@@H](N[*:1])N1Cc1ccccc1Cl
N#Cc1ccccc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl Clc1ccccc1[*:1] N#Cc1ccccc1N[C@@H]1c2ccccc2C(=O)N1C[*:1]
Cc1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1C Cc1ccc(cc1C)[*:1] O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)C(=O)NNC(=O)COc1ccccc1[*:1]
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)c(Cl)c1 FC(F)(F)[*:1] Cc1c(Cl)c(nn1CC(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCN(C1)[*:1])c1coc(n1)-c1ccccc1
O=C(N[C@@H]1CCN(c2ccccc2)C1)c1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCN(C1)c1ccccc1)c1coc(n1)[*:1]
Cc1c[nH]c(=O)n1-c1cccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c1 Cc1c[nH]c(=O)n1[*:1] CN1C(=O)C[C@H](C(=O)Nc2cccc(c2)[*:1])[C@H]1c1cccnc1
Cc1c[nH]c(=O)n1-c1cccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)c1 c1cncc(c1)[*:1] Cc1c[nH]c(=O)n1-c1cccc(c1)NC(=O)[C@H]1CC(=O)N(C)[C@H]1[*:1]
CC(C)[C@@]1(Cc2csc3ccccc23)CCC[NH2+]1 CC(C)[*:1] c1ccc2c(csc2c1)C[C@]1(CCC[NH2+]1)[*:1]
CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cc(C)ccc1F CNC(=O)[*:1] Cc1ccc(F)c(c1)S(=O)(=O)N[C@H](CC(C)C)[*:1]
CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cc(C)ccc1F CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NS(=O)(=O)c1cc(C)ccc1F
CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cc(C)ccc1F CC(C)C[*:1] CNC(=O)[C@@H](NS(=O)(=O)c1cc(C)ccc1F)[*:1]
O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1COCC(=O)N1Cc1ccccc1 c1ccc(nc1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1COCC(=O)N1Cc1ccccc1
O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1COCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccccn1)[C@H]1COCC(=O)N1C[*:1]
O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1COCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1nc(cs1)-c1ccccn1)[C@H]1COCC(=O)N1[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1ccnn1C Cn1nccc1[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)NC[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1ccnn1C CCC[*:1] C[C@@H]1CCCN(C(=O)NCc2ccnn2C)[C@H]1[*:1]
CN(CC(F)F)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] CN(CC(F)F)C(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1
CN(CC(F)F)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)[*:1] CN(C[*:1])C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1
CN(CC(F)F)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] CN(CC(F)F)C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CN(CC(F)F)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)C[*:1] CN(C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
Cc1cccc(C)c1NC(=S)N/N=C1\C[C@@H]([C@@H](C)c2cccnc2)Oc2ccc(O)cc21 Cc1cccc(C)c1[*:1] C[C@@H](c1cccnc1)[C@@H]1C/C(=N\NC(=S)N[*:1])c2cc(O)ccc2O1
Cc1cccc(C)c1NC(=S)N/N=C1\C[C@@H]([C@@H](C)c2cccnc2)Oc2ccc(O)cc21 c1cncc(c1)[*:1] Cc1cccc(C)c1NC(=S)N/N=C1\C[C@H](Oc2ccc(O)cc21)[C@@H](C)[*:1]
Cn1ncnc1NC(=O)NCCOc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cn1ncnc1NC(=O)NCCOc1ccc(cc1)[*:1]
Cn1ncnc1NC(=O)NCCOc1ccc(C(F)(F)F)cc1 Cn1ncnc1[*:1] O=C(NCCOc1ccc(cc1)C(F)(F)F)N[*:1]
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccs1 c1csc(c1)[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)[*:1]
O=C(c1ccsc1)N1CCCN(c2nccc(C(F)(F)F)n2)CC1 c1cc(cs1)[*:1] O=C(N1CCCN(CC1)c1nccc(n1)C(F)(F)F)[*:1]
O=C(c1ccsc1)N1CCCN(c2nccc(C(F)(F)F)n2)CC1 FC(F)(F)[*:1] O=C(c1ccsc1)N1CCCN(CC1)c1nccc(n1)[*:1]
COc1ccccc1[C@H](CNc1ccc2nnnn2n1)[NH+]1CCCC1 COc1ccccc1[*:1] c1cc2nnnn2nc1NC[C@H]([NH+]1CCCC1)[*:1]
Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1cccnc1 c1cncc(c1)[*:1] Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[*:1]
Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1cccnc1 Fc1ccc(c(F)c1)[*:1] Cc1nn(CO[*:1])c(C)c1NC(=O)c1cccnc1
CC(=O)Nc1cccc([C@@H](C)OC(=O)[C@@H](C)c2ccc(Cl)s2)c1 Clc1ccc(s1)[*:1] CC(=O)Nc1cccc(c1)[C@@H](C)OC(=O)[C@@H](C)[*:1]
CC(=O)Nc1cccc([C@@H](C)OC(=O)[C@@H](C)c2ccc(Cl)s2)c1 CC(=O)N[*:1] C[C@@H](OC(=O)[C@@H](C)c1ccc(Cl)s1)c1cccc(c1)[*:1]
CCCN(C(=O)c1cccc(S(C)(=O)=O)c1)[C@H]1CCc2ccccc2C1 CS(=O)(=O)[*:1] CCCN(C(=O)c1cccc(c1)[*:1])[C@H]1CCc2ccccc2C1
CCCN(C(=O)c1cccc(S(C)(=O)=O)c1)[C@H]1CCc2ccccc2C1 CCC[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N([C@H]1CCc2ccccc2C1)[*:1]
COc1c(F)c(F)cc2c(=O)c(C(=O)NCc3ccc4c(c3)OCO4)cn(C3CC3)c12 c1cc2OCOc2cc1[*:1] COc1c(F)c(F)cc2c(=O)c(cn(c12)C1CC1)C(=O)NC[*:1]
COc1c(F)c(F)cc2c(=O)c(C(=O)NCc3ccc4c(c3)OCO4)cn(C3CC3)c12 C1CC1[*:1] COc1c(F)c(F)cc2c(=O)c(cn(c12)[*:1])C(=O)NCc1ccc2OCOc2c1
COc1c(F)c(F)cc2c(=O)c(C(=O)NCc3ccc4c(c3)OCO4)cn(C3CC3)c12 c1cc2OCOc2cc1C[*:1] COc1c(F)c(F)cc2c(=O)c(cn(c12)C1CC1)C(=O)N[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 COC(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 CC(C)(C)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1ccc(cc1)[*:1]
CN[C@]1(C(=O)[O-])CC[C@H]([NH+](CC2CC2)CC2CC2)C1 C1CC1[*:1] CN[C@@]1(CC[C@@H](C1)[NH+](CC1CC1)C[*:1])C(=O)[O-]
CN[C@]1(C(=O)[O-])CC[C@H]([NH+](CC2CC2)CC2CC2)C1 O=C([O-])[*:1] CN[C@@]1(CC[C@@H](C1)[NH+](CC1CC1)CC1CC1)[*:1]
CN[C@]1(C(=O)[O-])CC[C@H]([NH+](CC2CC2)CC2CC2)C1 C1CC1C[*:1] CN[C@@]1(CC[C@@H](C1)[NH+](CC1CC1)[*:1])C(=O)[O-]
Cn1ccnc1SCCC(C)(C)O CC(C)(O)[*:1] Cn1ccnc1SCC[*:1]
Cc1cc(C(=O)N2CCN(C(=O)CCc3c(C)n[nH]c3C)CC2)c(C)o1 Cc1n[nH]c(C)c1C[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)C[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(C(=O)CCc3c(C)n[nH]c3C)CC2)c(C)o1 Cc1n[nH]c(C)c1[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)CC[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(C(=O)CCc3c(C)n[nH]c3C)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1n[nH]c(C)c1CCC(=O)N1CCN(CC1)C(=O)[*:1]
NC(=O)c1cccc(COc2ccc3c(c2)OCCO3)c1 NC(=O)[*:1] c1cc(cc(c1)[*:1])COc1ccc2OCCOc2c1
CC(C)N[C@@]1(C#N)CCC[C@@H](Sc2ccc(F)c(F)c2)C1 CC(C)N[*:1] N#C[C@]1(CCC[C@H](C1)Sc1ccc(F)c(F)c1)[*:1]
CC(C)N[C@@]1(C#N)CCC[C@@H](Sc2ccc(F)c(F)c2)C1 CC(C)[*:1] N#C[C@@]1(CCC[C@H](C1)Sc1ccc(F)c(F)c1)N[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)CSC CNC(=O)[*:1] CSCC(=O)N(C)C[C@@H](C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)CSC CSC[*:1] CNC(=O)[C@H](C)CN(C)C(=O)[*:1]
O=C(N[C@@H]1C=C[C@H](CO)C1)c1c[nH]nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(N[C@@H]1C=C[C@H](CO)C1)c1c[nH]nc1[*:1]
CCn1c([C@H](C)[NH2+]C[C@@H](C)CO)nc2ccccc21 C[C@@H](CO)[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+]C[*:1]
O=C(Nc1nnc(C2CC2)s1)N[C@@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1nnc(s1)C1CC1)N[C@@H]1C[C@H]1[*:1]
O=C(Nc1nnc(C2CC2)s1)N[C@@H]1C[C@@H]1c1cccc(F)c1 C1CC1[*:1] O=C(Nc1nnc(s1)[*:1])N[C@@H]1C[C@@H]1c1cccc(F)c1
Cn1c2nc(SCC(=O)c3ccc(Cl)s3)nc-2c([O-])n(C)c1=O Clc1ccc(s1)[*:1] Cn1c2nc(nc-2c([O-])n(C)c1=O)SCC(=O)[*:1]
COCc1c(/C([O-])=N/S(=O)(=O)C2CCOCC2)oc2ccccc12 C1CC(CCO1)[*:1] COCc1c(oc2ccccc12)/C([O-])=N/S(=O)(=O)[*:1]
COCc1c(/C([O-])=N/S(=O)(=O)C2CCOCC2)oc2ccccc12 COC[*:1] O=S(=O)(/N=C(\[O-])c1oc2ccccc2c1[*:1])C1CCOCC1
CCc1ocnc1C(=O)NC[C@H](C)Sc1ccccc1 c1ccc(cc1)[*:1] CCc1ocnc1C(=O)NC[C@H](C)S[*:1]
CCCN(C(=O)c1ccc(OC)c(N)c1)C(C)C CC(C)[*:1] CCCN(C(=O)c1ccc(OC)c(N)c1)[*:1]
CCCN(C(=O)c1ccc(OC)c(N)c1)C(C)C CCC[*:1] COc1ccc(cc1N)C(=O)N(C(C)C)[*:1]
CCOC(=O)[C@@H](C)Sc1nc(C)c(C(C)=O)cc1C#N CCOC(=O)[*:1] CC(=O)c1cc(C#N)c(nc1C)S[C@H](C)[*:1]
CCOC(=O)[C@@H](C)Sc1nc(C)c(C(C)=O)cc1C#N CC(=O)[*:1] CCOC(=O)[C@@H](C)Sc1nc(C)c(cc1C#N)[*:1]
Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3c(Cl)cnn3C)C2)cnn1C Cn1ncc(Cl)c1C[*:1] Cc1c(cnn1C)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3c(Cl)cnn3C)C2)cnn1C Cn1ncc(Cl)c1[*:1] Cc1c(cnn1C)S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3c(Cl)cnn3C)C2)cnn1C Cc1c(cnn1C)[*:1] Cn1ncc(Cl)c1CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CC[C@@H](C)c1ccc(NC(=S)N2C[C@H](C)O[C@@H](C)C2)cc1 CC[C@@H](C)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=S)Nc1ccc(cc1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc3cccnc23)C1 CS(=O)(=O)[*:1] O=S(=O)(N[C@H]1CCC[C@H](C1)[*:1])c1cccc2cccnc12
CC[C@H](C)n1ncc2c(C(=O)/N=c3\[nH]nc4cc(C)ccn34)cc(C)nc21 CC[C@H](C)[*:1] Cc1ccn2/c(=N/C(=O)c3cc(C)nc4c3cnn4[*:1])[nH]nc2c1
COc1ccc(N/C([O-])=C(\C#N)C(=O)C=C2CCCCC2)cc1OC C(=C1CCCCC1)[*:1] COc1ccc(cc1OC)N/C([O-])=C(\C#N)C(=O)[*:1]
COc1ccc(CN2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)CC2)cc1F COc1ccc(cc1F)C[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
COc1ccc(CN2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)CC2)cc1F COc1ccc(cc1F)[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)C[*:1]
COc1ccc(CN2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)CC2)cc1F Clc1ccc(cc1)[*:1] COc1ccc(cc1F)CN1CCN(CC1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-] CCC[*:1] O=C([O-])[C@H](C[*:1])NS(=O)(=O)c1cccc(F)c1
CCCC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-] CCCC[*:1] O=C([O-])[C@@H](NS(=O)(=O)c1cccc(F)c1)[*:1]
CCCC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-] O=C([O-])[*:1] CCCC[C@H](NS(=O)(=O)c1cccc(F)c1)[*:1]
CC[C@H](NC(=O)NCc1ccncc1)c1ccccc1OC(F)F FC(F)O[*:1] CC[C@H](NC(=O)NCc1ccncc1)c1ccccc1[*:1]
CC[C@H](NC(=O)NCc1ccncc1)c1ccccc1OC(F)F FC(F)[*:1] CC[C@H](NC(=O)NCc1ccncc1)c1ccccc1O[*:1]
CC[C@H](NC(=O)NCc1ccncc1)c1ccccc1OC(F)F c1cc(ccn1)C[*:1] CC[C@H](NC(=O)N[*:1])c1ccccc1OC(F)F
CC[C@H](NC(=O)NCc1ccncc1)c1ccccc1OC(F)F c1cc(ccn1)[*:1] CC[C@H](NC(=O)NC[*:1])c1ccccc1OC(F)F
CCN(Cc1noc(C)n1)C(=O)COc1c(C)ccc(C)c1C Cc1nc(no1)[*:1] CCN(C[*:1])C(=O)COc1c(C)ccc(C)c1C
CCN(Cc1noc(C)n1)C(=O)COc1c(C)ccc(C)c1C Cc1nc(C[*:1])no1 CCN(C(=O)COc1c(C)ccc(C)c1C)[*:1]
CCc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1
CCc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)O[*:1] C[C@H](C(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1)[*:1]
CCc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 Clc1ccccc1C[*:1] CCc1ccc(cc1)O[C@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 Clc1ccccc1[*:1] CCc1ccc(cc1)O[C@H](C)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccccc1Br C1CN(CCO1)[*:1] Cc1nc(sc1C(=O)NNS(=O)(=O)c1ccccc1Br)[*:1]
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccccc1Br Brc1ccccc1[*:1] Cc1nc(sc1C(=O)NNS(=O)(=O)[*:1])N1CCOCC1
Cc1cccc(OCC(=O)NCCCN2CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])NCCCN1CCOCC1
Cc1cccc(OCC(=O)NCCCN2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)OCC(=O)NCCC[*:1]
Cc1cccc(OCC(=O)NCCCN2CCOCC2)c1 C1CN(CCO1)C[*:1] Cc1cccc(c1)OCC(=O)NCC[*:1]
CCC[NH2+]Cc1nc2c(s1)Cc1ccc(OC)cc1-2 CCC[*:1] COc1ccc2Cc3sc(C[NH2+][*:1])nc3-c2c1
COCCn1nc(C)c(NC(=O)NCC[C@H]2CCCO2)c1C C1CO[C@H](C1)[*:1] COCCn1nc(C)c(NC(=O)NCC[*:1])c1C
COCCn1nc(C)c(NC(=O)NCC[C@H]2CCCO2)c1C C1CO[C@H](C1)C[*:1] COCCn1nc(C)c(NC(=O)NC[*:1])c1C
COCCn1nc(C)c(NC(=O)NCC[C@H]2CCCO2)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)NCC[C@H]1CCCO1)[*:1]
COCCn1nc(C)c(NC(=O)NCC[C@H]2CCCO2)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)NCC[C@H]1CCCO1
COCCn1nc(C)c(NC(=O)NCC[C@H]2CCCO2)c1C C1CO[C@H](C1)CC[*:1] COCCn1nc(C)c(NC(=O)N[*:1])c1C
COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(C)ccc1OC CC(=O)[*:1] COc1ccc(cc1CC(=O)Nc1cc(C)ccc1OC)[*:1]
CC(=O)NCCC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 CC(=O)NC[*:1] Cc1ccc(cc1C)-c1csc(n1)NC(=O)C[*:1]
CC(=O)NCCC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 CC(=O)NCC[*:1] Cc1ccc(cc1C)-c1csc(n1)NC(=O)[*:1]
CC(=O)NCCC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 CC(=O)N[*:1] Cc1ccc(cc1C)-c1csc(n1)NC(=O)CC[*:1]
COc1cccc([C@H]2CCCN2C[C@H](O)c2ccccc2F)c1 Fc1ccccc1[*:1] COc1cccc(c1)[C@H]1CCCN1C[C@H](O)[*:1]
Cn1cc(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
Cn1cc(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)cn1 Fc1ccc(cc1)C[*:1] Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)O[*:1]
Cn1cc(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)cn1 Fc1ccc(cc1)[*:1] Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)OC[*:1]
CCC(CC)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 CCC(CC)[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2OCOc2c1)[*:1]
CCC(CC)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CCC(CC)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1csc(Sc2ccc(NC(=O)c3cccnc3Cl)cc2)n1 Clc1ncccc1[*:1] Cc1csc(n1)Sc1ccc(cc1)NC(=O)[*:1]
Cc1csc(Sc2ccc(NC(=O)c3cccnc3Cl)cc2)n1 Cc1csc(n1)[*:1] O=C(Nc1ccc(cc1)S[*:1])c1cccnc1Cl
Cc1csc(Sc2ccc(NC(=O)c3cccnc3Cl)cc2)n1 Cc1csc(n1)S[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccnc1Cl
CN(C)CN1C(=O)S/C(=C\c2ccccc2F)C1=O CN(C)[*:1] O=C1S/C(=C\c2ccccc2F)C(=O)N1C[*:1]
CN(C)CN1C(=O)S/C(=C\c2ccccc2F)C1=O CN(C)C[*:1] O=C1S/C(=C\c2ccccc2F)C(=O)N1[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)C1 COC(=O)[*:1] C[C@H](N(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)C1)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)C1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)N(C[*:1])C(=O)[C@@H]1CC(=O)N(C)C1
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)C1 COC(=O)[C@H](C)[*:1] CN1C[C@@H](CC1=O)C(=O)N(Cc1ccccc1)[*:1]
COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)C1 c1ccc(cc1)C[*:1] COC(=O)[C@H](C)N(C(=O)[C@@H]1CC(=O)N(C)C1)[*:1]
CCOc1cccc([C@@H](C)NC(=O)CN(C)c2ncnc3[nH]cnc23)c1 CCO[*:1] C[C@@H](NC(=O)CN(C)c1ncnc2[nH]cnc12)c1cccc(c1)[*:1]
CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCC3(CCC3)C2)c1 CC(C)(C)OC(=O)N[*:1] O=C(Cc1cccc(c1)[*:1])N1CCC2(CCC2)C1
CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCC3(CCC3)C2)c1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)CC(=O)N1CCC2(CCC2)C1)O[*:1]
O=C(NCCc1ccc(O)cc1)c1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCCc1ccc(O)cc1)c1csc(n1)[*:1]
O=C(NCCc1ccc(O)cc1)c1csc(-c2ccccc2)n1 Oc1ccc(cc1)[*:1] O=C(NCC[*:1])c1csc(n1)-c1ccccc1
Cc1cc(NC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)ccc1C(=O)NC(C)C Fc1cccc(c1)[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)[C@@H](C[*:1])n1nnnc1C
Cc1cc(NC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)ccc1C(=O)NC(C)C Cc1nnnn1[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)[C@@H](Cc1cccc(F)c1)[*:1]
Cc1cc(NC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)ccc1C(=O)NC(C)C CC(C)[*:1] Cc1cc(ccc1C(=O)N[*:1])NC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C
Cc1cc(NC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)ccc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C
Cc1cc(NC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)ccc1C(=O)NC(C)C Fc1cccc(c1)C[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)[C@@H](n1nnnc1C)[*:1]
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 CC(=O)NS(=O)(=O)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)Nc1ccncc1)c1ccc(-n2ccnc2)cc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)-n1ccnc1
C[C@H](NC(=O)Nc1ccncc1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NC(=O)Nc1ccncc1)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)N[C@@H]2CCC(=O)NC2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@@H]1CCC(=O)NC1
Cc1cccnc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] CC(C)[*:1] Cc1cccnc1C(=O)NC[C@@H](C[*:1])C(=O)[O-]
Cc1cccnc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] CC(C)C[*:1] Cc1cccnc1C(=O)NC[C@@H](C(=O)[O-])[*:1]
Cc1cccnc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] O=C([O-])[*:1] Cc1cccnc1C(=O)NC[C@@H](CC(C)C)[*:1]
C[C@H]1CCN(C(=O)CCc2nc(-c3ncccn3)no2)[C@H](C)C1 c1cnc(nc1)[*:1] C[C@H]1CCN(C(=O)CCc2nc(no2)[*:1])[C@H](C)C1
O=C(Nc1ccc2c(c1)COC2)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 c1cc2COCc2cc1[*:1] O=C(N[*:1])C(=O)N1CCO[C@@H](C1)c1ccc(F)cc1
O=C(Nc1ccc2c(c1)COC2)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc2COCc2c1)C(=O)N1CCO[C@H](C1)[*:1]
CCc1cnc(CN(C)C(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)s1 CCc1cnc(C[*:1])s1 CN(C(=O)N[C@@H]1CC(=O)N(C1)CC(F)(F)F)[*:1]
CCc1cnc(CN(C)C(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)s1 FC(F)(F)C[*:1] CCc1cnc(CN(C)C(=O)N[C@@H]2CC(=O)N(C2)[*:1])s1
CCc1cnc(CN(C)C(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)s1 FC(F)(F)[*:1] CCc1cnc(CN(C)C(=O)N[C@@H]2CC(=O)N(C2)C[*:1])s1
CCc1cnc(CN(C)C(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)s1 CCc1cnc(s1)[*:1] CN(C[*:1])C(=O)N[C@@H]1CC(=O)N(C1)CC(F)(F)F
CCOC(=O)CN(C)C(=O)CN1C[C@H](c2ccccc2)OCC1(C)C CCOC(=O)C[*:1] CN(C(=O)CN1C[C@@H](OCC1(C)C)c1ccccc1)[*:1]
CCOC(=O)CN(C)C(=O)CN1C[C@H](c2ccccc2)OCC1(C)C c1ccc(cc1)[*:1] CCOC(=O)CN(C)C(=O)CN1C[C@H](OCC1(C)C)[*:1]
CCOC(=O)CN(C)C(=O)CN1C[C@H](c2ccccc2)OCC1(C)C CCOC(=O)[*:1] CN(C[*:1])C(=O)CN1C[C@@H](OCC1(C)C)c1ccccc1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc4ccccc4c3)CC2)cc1 c1ccc2cc(ccc2c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N(C)C[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc4ccccc4c3)CC2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1ccc2ccccc2c1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCCc1cc2ccccc2o1)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCCc1cc2ccccc2o1)N[C@H](CO)[*:1]
CC(C)c1ccc(Oc2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2N)cc1 CC(C)c1ccc(cc1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)Nc1ncnc(O[*:1])c1N
CC(C)c1ccc(Oc2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2N)cc1 CC(C)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)Nc1ncnc(Oc2ccc(cc2)[*:1])c1N
CC(C)(C)SCC(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] CC(C)(C)SCC(=O)OCc1nnc(o1)[*:1]
CC(C)(C)SCC(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 CC(C)(C)S[*:1] O=C(C[*:1])OCc1nnc(o1)-c1ccc(Cl)cc1
CC(C)(C)SCC(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 CC(C)(C)[*:1] O=C(CS[*:1])OCc1nnc(o1)-c1ccc(Cl)cc1
CC(C)(C)SCC(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 CC(C)(C)SC[*:1] O=C(OCc1nnc(o1)-c1ccc(Cl)cc1)[*:1]
C[C@@H]1CCCN(C(=O)Nc2cccc(OCc3ccccn3)c2)C1 c1ccc(C[*:1])nc1 C[C@@H]1CCCN(C1)C(=O)Nc1cccc(c1)O[*:1]
C[C@@H]1CCCN(C(=O)Nc2cccc(OCc3ccccn3)c2)C1 c1ccc(CO[*:1])nc1 C[C@@H]1CCCN(C1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H]1CCCN(C(=O)Nc2cccc(OCc3ccccn3)c2)C1 c1ccc(nc1)[*:1] C[C@@H]1CCCN(C1)C(=O)Nc1cccc(c1)OC[*:1]
CCc1ccc(C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1 CCc1ccc(cc1)[*:1] O=C(NCCc1csc2nc(nn12)-c1cccs1)[*:1]
CCc1ccc(C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1 c1csc(c1)[*:1] CCc1ccc(cc1)C(=O)NCCc1csc2nc(nn12)[*:1]
Cc1ccc(C2(O)CCN(C(=O)[C@H](Cc3c[nH]cn3)n3cccc3)CC2)nc1 Cc1ccc(nc1)[*:1] O=C([C@H](Cc1c[nH]cn1)n1cccc1)N1CCC(O)(CC1)[*:1]
Cc1ccc(C2(O)CCN(C(=O)[C@H](Cc3c[nH]cn3)n3cccc3)CC2)nc1 c1ccn(c1)[*:1] Cc1ccc(nc1)C1(O)CCN(CC1)C(=O)[C@H](Cc1c[nH]cn1)[*:1]
Cc1ccc(C2(O)CCN(C(=O)[C@H](Cc3c[nH]cn3)n3cccc3)CC2)nc1 c1nc(c[nH]1)[*:1] Cc1ccc(nc1)C1(O)CCN(CC1)C(=O)[C@H](C[*:1])n1cccc1
Cc1ccc(C2(O)CCN(C(=O)[C@H](Cc3c[nH]cn3)n3cccc3)CC2)nc1 c1nc(c[nH]1)C[*:1] Cc1ccc(nc1)C1(O)CCN(CC1)C(=O)[C@H](n1cccc1)[*:1]
O=C(c1cccc(O)c1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 Oc1cccc(c1)[*:1] O=C(C1CCC1)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
O=C(c1cccc(O)c1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 C1CC(C1)[*:1] O=C(c1cccc(O)c1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 CN(C)C(=O)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N1CCC[C@H]1[*:1]
Cc1cc(NC(=O)c2c[nH]c3nccc(Cl)c23)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1c[nH]c2nccc(Cl)c12
C=CCOC(=O)c1csc(-c2ccc(C)cc2)n1 C=CC[*:1] Cc1ccc(cc1)-c1nc(cs1)C(=O)O[*:1]
C=CCOC(=O)c1csc(-c2ccc(C)cc2)n1 C=CCOC(=O)[*:1] Cc1ccc(cc1)-c1nc(cs1)[*:1]
C=CCc1cc(C[NH3+])cc(OC)c1OC(C)C C=CC[*:1] COc1cc(cc(c1OC(C)C)[*:1])C[NH3+]
C=CCc1cc(C[NH3+])cc(OC)c1OC(C)C CC(C)O[*:1] C=CCc1cc(cc(OC)c1[*:1])C[NH3+]
C=CCc1cc(C[NH3+])cc(OC)c1OC(C)C CC(C)[*:1] C=CCc1cc(cc(OC)c1O[*:1])C[NH3+]
CCONC(=O)Cc1c(C)nc2ccccc2c1C CCONC(=O)[*:1] Cc1nc2ccccc2c(C)c1C[*:1]
CC(C)(C)n1cc(NCc2cnn(-c3ccccc3)c2)cn1 CC(C)(C)[*:1] c1ccc(cc1)-n1cc(cn1)CNc1cnn(c1)[*:1]
CC(C)(C)n1cc(NCc2cnn(-c3ccccc3)c2)cn1 c1ccc(cc1)[*:1] CC(C)(C)n1cc(cn1)NCc1cnn(c1)[*:1]
CCCOc1ccc([C@H](C)[C@@H](C)[NH2+]C)cc1 CCC[*:1] C[NH2+][C@H](C)[C@@H](C)c1ccc(cc1)O[*:1]
CCCOc1ccc([C@H](C)[C@@H](C)[NH2+]C)cc1 CCCO[*:1] C[NH2+][C@H](C)[C@@H](C)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(N2CCOC2=O)c1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)N1CCOC1=O
C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(c1)[*:1]
Cc1ccn2c(CN3CCN(S(=O)(=O)CC4CCC4)CC3)c(C)[nH+]c2c1 C1CC(C1)[*:1] Cc1ccn2c(CN3CCN(CC3)S(=O)(=O)C[*:1])c(C)[nH+]c2c1
Cc1ccn2c(CN3CCN(S(=O)(=O)CC4CCC4)CC3)c(C)[nH+]c2c1 C1CC(C1)C[*:1] Cc1ccn2c(CN3CCN(CC3)S(=O)(=O)[*:1])c(C)[nH+]c2c1
Cc1ccc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)CCCO[*:1])sc2CCCc21
Cc1ccc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 Cc1ccc(cc1)O[*:1] NC(=O)c1c(NC(=O)CCC[*:1])sc2CCCc21
Cc1ccc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 NC(=O)[*:1] Cc1ccc(cc1)OCCCC(=O)Nc1sc2CCCc2c1[*:1]
Cc1cnn(Cc2cccc(F)c2)c1NC(=O)c1cc2ccccn2n1 Fc1cccc(c1)C[*:1] Cc1cnn(c1NC(=O)c1cc2ccccn2n1)[*:1]
Cc1cnn(Cc2cccc(F)c2)c1NC(=O)c1cc2ccccn2n1 Fc1cccc(c1)[*:1] Cc1cnn(C[*:1])c1NC(=O)c1cc2ccccn2n1
O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(cs1)[*:1]
O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 Clc1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])Nc1nc(cs1)-c1ccccc1
C=CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nc2scc(C3CC3)c2c1=O C1CC1[*:1] C=CCn1c(nc2scc(c2c1=O)[*:1])S[C@H](C)C(=O)N1CCc2ccccc21
C=CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nc2scc(C3CC3)c2c1=O C=CC[*:1] C[C@@H](Sc1nc2scc(c2c(=O)n1[*:1])C1CC1)C(=O)N1CCc2ccccc21
O=C1C[C@H](NS(=O)(=O)c2ccccc2)CN1c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)NS(=O)(=O)[*:1]
O=C1C[C@H](NS(=O)(=O)c2ccccc2)CN1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](CN1[*:1])NS(=O)(=O)c1ccccc1
CCc1ccc([C@H](C)[NH2+]Cc2cccc(C(N)=O)c2)cc1 NC(=O)[*:1] CCc1ccc(cc1)[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
C[C@H](Nc1cc(C#N)c2cc(Cl)ccc2n1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](Nc1cc(C#N)c2cc(Cl)ccc2n1)[*:1]
CC(C)c1ccc(NC(=O)CCc2nc(C3=CC[NH+](C)CC3)no2)cc1 CC(C)[*:1] C[NH+]1CC=C(CC1)c1noc(CCC(=O)Nc2ccc(cc2)[*:1])n1
CC1(C)Cc2c(C#N)c(OCCc3ccccc3)nc(N3CCOCC3)c2CO1 c1ccc(cc1)CC[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)N1CCOCC1)O[*:1]
CC1(C)Cc2c(C#N)c(OCCc3ccccc3)nc(N3CCOCC3)c2CO1 C1CN(CCO1)[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)[*:1])OCCc1ccccc1
CC1(C)Cc2c(C#N)c(OCCc3ccccc3)nc(N3CCOCC3)c2CO1 c1ccc(cc1)C[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)N1CCOCC1)OC[*:1]
CC1(C)Cc2c(C#N)c(OCCc3ccccc3)nc(N3CCOCC3)c2CO1 c1ccc(cc1)[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)N1CCOCC1)OCC[*:1]
CC1(C)Cc2c(C#N)c(OCCc3ccccc3)nc(N3CCOCC3)c2CO1 c1ccc(cc1)CCO[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)N1CCOCC1)[*:1]
COc1cccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 COc1cccc(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[*:1]
COc1cccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)NCc1c(C)nn(c1C)[*:1]
CCOc1ccccc1-c1nc(CC#N)no1 CCO[*:1] N#CCc1noc(n1)-c1ccccc1[*:1]
CCOc1ccccc1-c1nc(CC#N)no1 N#CC[*:1] CCOc1ccccc1-c1nc(no1)[*:1]
COc1cc(-c2ccno2)ccc1S(=O)(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COc1cc(ccc1S(=O)(=O)NC[*:1])-c1ccno1
COc1cc(-c2ccno2)ccc1S(=O)(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] COc1cc(ccc1S(=O)(=O)N[*:1])-c1ccno1
COc1cc(-c2ccno2)ccc1S(=O)(=O)NC[C@H]1CCCO1 c1cc(on1)[*:1] COc1cc(ccc1S(=O)(=O)NC[C@H]1CCCO1)[*:1]
CCC(CC)C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(N)=O)C1 NC(=O)[*:1] CCC(CC)C(=O)N1CC[C@](Cc2ccc(cc2)-c2ccsc2)(C1)[*:1]
CCC(CC)C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(N)=O)C1 CCC(CC)[*:1] NC(=O)[C@]1(CCN(C1)C(=O)[*:1])Cc1ccc(cc1)-c1ccsc1
CCC(CC)C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(N)=O)C1 c1cc(cs1)[*:1] CCC(CC)C(=O)N1CC[C@@](Cc2ccc(cc2)[*:1])(C1)C(N)=O
CCOc1ccc(Cc2nc3ccc(OC)cc3c(=O)[nH]2)cc1 CCO[*:1] COc1ccc2nc(Cc3ccc(cc3)[*:1])[nH]c(=O)c2c1
Cc1nc([C@@H]2CCCN2Cc2nc(CC(C)C)no2)no1 CC(C)C[*:1] Cc1nc(no1)[C@@H]1CCCN1Cc1nc(no1)[*:1]
Cc1nc([C@@H]2CCCN2Cc2nc(CC(C)C)no2)no1 Cc1nc(no1)[*:1] CC(C)Cc1noc(CN2CCC[C@H]2[*:1])n1
Cc1nc([C@@H]2CCCN2Cc2nc(CC(C)C)no2)no1 CC(C)[*:1] Cc1nc(no1)[C@@H]1CCCN1Cc1nc(C[*:1])no1
O=C(NCc1ccccc1OC1CCC1)[C@@H]1SCCc2sccc21 C1CC(C1)O[*:1] O=C(NCc1ccccc1[*:1])[C@@H]1SCCc2sccc21
O=C(NCc1ccccc1OC1CCC1)[C@@H]1SCCc2sccc21 C1CC(C1)[*:1] O=C(NCc1ccccc1O[*:1])[C@@H]1SCCc2sccc21
O=C(NCC1(c2ccccc2)CCOCC1)N1CC[C@@](O)(C(F)(F)F)C1 c1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])N1CC[C@](O)(C1)C(F)(F)F
O=C(NCC1(c2ccccc2)CCOCC1)N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCC1(CCOCC1)c1ccccc1)N1CC[C@@](O)(C1)[*:1]
CCSCCOCn1cc(F)c(=O)[nH]c1=O CCSC[*:1] O=c1[nH]c(=O)n(cc1F)COC[*:1]
CCSCCOCn1cc(F)c(=O)[nH]c1=O CCSCC[*:1] O=c1[nH]c(=O)n(cc1F)CO[*:1]
CCSCCOCn1cc(F)c(=O)[nH]c1=O CCS[*:1] O=c1[nH]c(=O)n(cc1F)COCC[*:1]
C#CCN(CC(=O)[O-])CC(=O)NC(=O)NC O=C([O-])C[*:1] C#CCN(CC(=O)NC(=O)NC)[*:1]
C#CCN(CC(=O)[O-])CC(=O)NC(=O)NC O=C([O-])[*:1] C#CCN(CC(=O)NC(=O)NC)C[*:1]
C#CCN(CC(=O)[O-])CC(=O)NC(=O)NC C#CC[*:1] CNC(=O)NC(=O)CN(CC(=O)[O-])[*:1]
CN(C(=O)CC1CCCCC1)[C@@H]1CCN(c2ccccc2)C1=O C1CCC(CC1)[*:1] CN(C(=O)C[*:1])[C@@H]1CCN(C1=O)c1ccccc1
CN(C(=O)CC1CCCCC1)[C@@H]1CCN(c2ccccc2)C1=O C1CCC(CC1)C[*:1] CN(C(=O)[*:1])[C@@H]1CCN(C1=O)c1ccccc1
CN(C(=O)CC1CCCCC1)[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(C(=O)CC1CCCCC1)[C@@H]1CCN(C1=O)[*:1]
CC[C@@H]1c2ccsc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC O=[N+]([O-])[*:1] CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(ccc1OC)[*:1]
COc1cccc(-c2nc3cnccn3c2NCCC(=O)Nc2ccc(F)c(F)c2)c1 COc1cccc(c1)[*:1] O=C(CCNc1c(nc2cnccn12)[*:1])Nc1ccc(F)c(F)c1
COc1cccc(-c2nc3cnccn3c2NCCC(=O)Nc2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] COc1cccc(c1)-c1nc2cnccn2c1NCCC(=O)N[*:1]
CCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc21 c1ccc(cc1)[*:1] CCCNC(=O)N1CCc2cc(ccc21)S(=O)(=O)N1CCC(CC1)C[*:1]
CCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc21 c1ccc(cc1)C[*:1] CCCNC(=O)N1CCc2cc(ccc21)S(=O)(=O)N1CCC(CC1)[*:1]
CCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc21 CCC[*:1] O=C(N[*:1])N1CCc2cc(ccc21)S(=O)(=O)N1CCC(CC1)Cc1ccccc1
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCn2nc(C)cc2C)n3C)c1 Cc1cc(C)n(C[*:1])n1 Cc1cccc(c1)OCC(=O)Nc1ccc2c(c1)nc(C[*:1])n2C
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCn2nc(C)cc2C)n3C)c1 Cc1cccc(c1)O[*:1] Cc1cc(C)n(CCc2nc3cc(ccc3n2C)NC(=O)C[*:1])n1
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCn2nc(C)cc2C)n3C)c1 Cc1cc(C)n(n1)[*:1] Cc1cccc(c1)OCC(=O)Nc1ccc2c(c1)nc(CC[*:1])n2C
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCn2nc(C)cc2C)n3C)c1 Cc1cccc(c1)OC[*:1] Cc1cc(C)n(CCc2nc3cc(ccc3n2C)NC(=O)[*:1])n1
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCn2nc(C)cc2C)n3C)c1 Cc1cccc(c1)[*:1] Cc1cc(C)n(CCc2nc3cc(ccc3n2C)NC(=O)CO[*:1])n1
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCn2nc(C)cc2C)n3C)c1 Cc1cc(C)n(CC[*:1])n1 Cc1cccc(c1)OCC(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
Cc1nc2ccccn2c(=O)c1NC(=O)C1CCCC1 C1CCC(C1)[*:1] Cc1nc2ccccn2c(=O)c1NC(=O)[*:1]
C[C@H]([NH2+][C@@H]1CC[C@H]([NH3+])C1)C1CC1 C1CC1[*:1] C[C@H]([NH2+][C@@H]1CC[C@H]([NH3+])C1)[*:1]
COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)Nc2cc(F)ccc2F)cc1 Fc1ccc(F)c(c1)[*:1] COc1ccc(cc1)C[C@@](C)(O)CNC(=O)C(=O)N[*:1]
COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)Nc2cc(F)ccc2F)cc1 COc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)C(=O)Nc1cc(F)ccc1F)C[*:1]
COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)Nc2cc(F)ccc2F)cc1 COc1ccc(cc1)C[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1cc(F)ccc1F)[*:1]
O=C1/C(=C/c2ccccc2OC(F)F)N=C(S)N1Cc1ccco1 FC(F)[*:1] O=C1/C(=C/c2ccccc2O[*:1])N=C(S)N1Cc1ccco1
O=C1/C(=C/c2ccccc2OC(F)F)N=C(S)N1Cc1ccco1 c1coc(c1)C[*:1] O=C1/C(=C/c2ccccc2OC(F)F)N=C(S)N1[*:1]
O=C1/C(=C/c2ccccc2OC(F)F)N=C(S)N1Cc1ccco1 FC(F)O[*:1] O=C1/C(=C/c2ccccc2[*:1])N=C(S)N1Cc1ccco1
O=C1/C(=C/c2ccccc2OC(F)F)N=C(S)N1Cc1ccco1 c1coc(c1)[*:1] O=C1/C(=C/c2ccccc2OC(F)F)N=C(S)N1C[*:1]
CC(C)(C)N1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(Cl)cc1 CC(C)(C)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(Cl)cc2)N1[*:1]
CC(C)(C)N1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CC(C)(C)N1C(=O)c2[nH]nc(c2[C@H]1c1ccc(Cl)cc1)[*:1]
CC(C)(C)N1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C)N1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1[*:1]
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@H](c2ccccc2F)C1 CC[C@@H](C)[*:1] O=C([C@H]1Cc2ccccc2CN1C(=O)[*:1])N1CCO[C@@H](C1)c1ccccc1F
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@H](C1)[*:1]
Cc1ccccc1[C@H](C)N[C@@H](C)C1=NC(=O)C2=C(c3ccco3)CSC2=N1 Cc1ccccc1[C@H](C)[*:1] C[C@H](N[*:1])C1N=C2SCC(=C2C(=O)N=1)c1ccco1
Cc1ccccc1[C@H](C)N[C@@H](C)C1=NC(=O)C2=C(c3ccco3)CSC2=N1 c1coc(c1)[*:1] Cc1ccccc1[C@H](C)N[C@@H](C)C1N=C2SCC(=C2C(=O)N=1)[*:1]
Cc1ccccc1[C@H](C)N[C@@H](C)C1=NC(=O)C2=C(c3ccco3)CSC2=N1 Cc1ccccc1[*:1] C[C@H](N[C@@H](C)[*:1])C1N=C2SCC(=C2C(=O)N=1)c1ccco1
O=C(Cc1ccccc1Cl)NCCc1nnc2n1CCC2 Clc1ccccc1[*:1] O=C(C[*:1])NCCc1nnc2CCCn21
CCC[C@@H](Oc1ccccc1C)C(=O)NN NNC(=O)[*:1] CCC[C@@H](Oc1ccccc1C)[*:1]
CCC[C@@H](Oc1ccccc1C)C(=O)NN CCC[*:1] Cc1ccccc1O[C@@H](C(=O)NN)[*:1]
C[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1cccnc1 c1cncc(c1)[*:1] C[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)[*:1]
CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl Clc1ccccc1C[*:1] CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl Clc1ccccc1[*:1] CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1C[*:1]
CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl CC(C)[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl)[*:1]
N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 c1ccc(cc1)[*:1] N#Cc1nc(C=C[*:1])oc1N1CCN(CC1)C(=O)c1cccc(Cl)c1
N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(CC1)C(=O)[*:1]
N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 C(=C[*:1])c1ccccc1 N#Cc1nc(oc1N1CCN(CC1)C(=O)c1cccc(Cl)c1)[*:1]
O=C1CSC2=NC3=C(CCCC3=C3SCCS3)[C@@H](c3ccccc3)N12 c1ccc(cc1)[*:1] O=C1CSC2=NC3C(CCCC=3[C@@H](N12)[*:1])=C1SCCS1
O=C(C[C@@H]([NH2+]Cc1ccccc1)C(=O)[O-])Nc1cccc(Cl)c1Cl c1ccc(cc1)[*:1] O=C(C[C@@H]([NH2+]C[*:1])C(=O)[O-])Nc1cccc(Cl)c1Cl
O=C(C[C@@H]([NH2+]Cc1ccccc1)C(=O)[O-])Nc1cccc(Cl)c1Cl c1ccc(cc1)C[*:1] O=C(C[C@@H]([NH2+][*:1])C(=O)[O-])Nc1cccc(Cl)c1Cl
O=C(C[C@@H]([NH2+]Cc1ccccc1)C(=O)[O-])Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(C[C@@H]([NH2+]Cc1ccccc1)C(=O)[O-])N[*:1]
CCSC[C@H](C)N(C)C(=O)N[C@H]1CCC[C@H](C)C1 CCS[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)N(C)[C@@H](C)C[*:1]
CCSC[C@H](C)N(C)C(=O)N[C@H]1CCC[C@H](C)C1 CCSC[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)N(C)[C@@H](C)[*:1]
CCSC[C@H](C)N(C)C(=O)N[C@H]1CCC[C@H](C)C1 CCSC[C@H](C)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)N(C)[*:1]
CC(C)c1cc(Br)ccc1NC(=O)N(C)Cc1cnn(C)c1 Cn1cc(cn1)C[*:1] CC(C)c1cc(Br)ccc1NC(=O)N(C)[*:1]
CC(C)c1cc(Br)ccc1NC(=O)N(C)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] CC(C)c1cc(Br)ccc1NC(=O)N(C)C[*:1]
CC(C)c1cc(Br)ccc1NC(=O)N(C)Cc1cnn(C)c1 CC(C)[*:1] CN(Cc1cnn(C)c1)C(=O)Nc1ccc(Br)cc1[*:1]
COc1cccc(N2CCN(Cc3nc(-c4cccs4)oc3C)CC2=O)c1 c1csc(c1)[*:1] COc1cccc(c1)N1CCN(CC1=O)Cc1nc(oc1C)[*:1]
COc1cccc(N2CCN(Cc3nc(-c4cccs4)oc3C)CC2=O)c1 COc1cccc(c1)[*:1] Cc1oc(nc1CN1CCN(C(=O)C1)[*:1])-c1cccs1
CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 CCC(C)(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 CCC(C)(C)NC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
C[C@H](/N=C(/Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)[O-] O=C([O-])[*:1] C[C@H](/N=C(/Cc1ccccc1)C(=O)OC(C)(C)C)[*:1]
C[C@H](/N=C(/Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)[O-] c1ccc(cc1)[*:1] C[C@H](/N=C(/C[*:1])C(=O)OC(C)(C)C)C(=O)[O-]
C[C@H](/N=C(/Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)[O-] CC(C)(C)[*:1] C[C@H](/N=C(/Cc1ccccc1)C(=O)O[*:1])C(=O)[O-]
C[C@H](/N=C(/Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)[O-] c1ccc(cc1)C[*:1] C[C@H](/N=C(\C(=O)OC(C)(C)C)[*:1])C(=O)[O-]
C/C(=C\C(=O)NCCCNC(=O)c1cccc(F)c1)C(C)(C)C CC(=C[*:1])C(C)(C)C O=C(NCCCNC(=O)[*:1])c1cccc(F)c1
C/C(=C\C(=O)NCCCNC(=O)c1cccc(F)c1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)NCCCNC(=O)c1cccc(F)c1)[*:1]
C/C(=C\C(=O)NCCCNC(=O)c1cccc(F)c1)C(C)(C)C Fc1cccc(c1)[*:1] C/C(=C\C(=O)NCCCNC(=O)[*:1])C(C)(C)C
COc1ccc(CCn2cc(C(=O)[O-])c(=O)[nH]c2=O)cc1 O=C([O-])[*:1] COc1ccc(cc1)CCn1cc(c(=O)[nH]c1=O)[*:1]
Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)N[*:1]
CS[C@@H](C)C[NH2+][C@H]1CCSc2ccc(Cl)cc21 CS[C@@H](C)[*:1] Clc1ccc2SCC[C@H]([NH2+]C[*:1])c2c1
Cc1nc(N2CCO[C@@H](c3cccc(O)c3)C2)c(C)c(C)[nH+]1 Oc1cccc(c1)[*:1] Cc1nc(c(C)c(C)[nH+]1)N1CCO[C@@H](C1)[*:1]
CCCCCNc1cc(-n2cnnn2)ccc1F CCCC[*:1] Fc1ccc(cc1NC[*:1])-n1cnnn1
CCCCCNc1cc(-n2cnnn2)ccc1F CCCCCN[*:1] Fc1ccc(cc1[*:1])-n1cnnn1
CCCCCNc1cc(-n2cnnn2)ccc1F c1nnnn1[*:1] CCCCCNc1cc(ccc1F)[*:1]
CCCCCNc1cc(-n2cnnn2)ccc1F CCC[*:1] Fc1ccc(cc1NCC[*:1])-n1cnnn1
CCCCCNc1cc(-n2cnnn2)ccc1F CCCCC[*:1] Fc1ccc(cc1N[*:1])-n1cnnn1
CO[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(N(C)C(C)=O)c1 CC(=O)N(C)[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1)[*:1]
Nc1c(NNC(=O)c2ccccc2Cl)ncnc1Sc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nc1c(ncnc1S[*:1])NNC(=O)c1ccccc1Cl
Nc1c(NNC(=O)c2ccccc2Cl)ncnc1Sc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1ccccc1Cl
Nc1c(NNC(=O)c2ccccc2Cl)ncnc1Sc1ccc(Cl)cc1 Clc1ccccc1[*:1] Nc1c(ncnc1Sc1ccc(Cl)cc1)NNC(=O)[*:1]
CC(C)(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1 FC(F)(F)[*:1] CC(C)(C)c1ccc(cc1)[C@@H]1C[C@H](n2ncc(C#N)c2N1)[*:1]
CC(C)(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C#N)c3N2)cc1 CC(C)(C)[*:1] N#Cc1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)c1ccc(cc1)[*:1]
O=C(Nn1cnc2ccccc21)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(Nn1cnc2ccccc21)N1CCCN(CC1)C(=O)[*:1]
C[NH2+][C@@H](C)c1cc(F)c(C)cc1SC(C)C CC(C)S[*:1] C[NH2+][C@@H](C)c1cc(F)c(C)cc1[*:1]
C[NH2+][C@@H](C)c1cc(F)c(C)cc1SC(C)C CC(C)[*:1] C[NH2+][C@@H](C)c1cc(F)c(C)cc1S[*:1]
Cc1cc([N+](=O)[O-])cnc1N1CCO[C@H](C(N)=O)C1 NC(=O)[*:1] Cc1cc(cnc1N1CCO[C@H](C1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1N1CCO[C@H](C(N)=O)C1 O=[N+]([O-])[*:1] Cc1cc(cnc1N1CCO[C@@H](C1)C(N)=O)[*:1]
Cc1cc(C(=O)N2CC[NH+](C)CC2)nn1CC(=O)NCCCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1cc(nn1CC(=O)NC[*:1])C(=O)N1CC[NH+](C)CC1
Cc1cc(C(=O)N2CC[NH+](C)CC2)nn1CC(=O)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1cc(nn1CC(=O)NCC[*:1])C(=O)N1CC[NH+](C)CC1
Cc1cc(C(=O)N2CC[NH+](C)CC2)nn1CC(=O)NCCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1cc(nn1CC(=O)NCCC[*:1])C(=O)N1CC[NH+](C)CC1
Cc1cc(C(=O)N2CC[NH+](C)CC2)nn1CC(=O)NCCCN1CCOCC1 C(CN1CCOCC1)C[*:1] Cc1cc(nn1CC(=O)N[*:1])C(=O)N1CC[NH+](C)CC1
O=C(Nc1ccccc1I)c1cccc(NC(=O)[C@@H]2CCCO2)c1 Ic1ccccc1[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)[C@@H]1CCCO1
O=C(Nc1ccccc1I)c1cccc(NC(=O)[C@@H]2CCCO2)c1 O=C(N[*:1])[C@@H]1CCCO1 O=C(Nc1ccccc1I)c1cccc(c1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 CC(C)[*:1] O=C([O-])Cc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 O=C([O-])C[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 CC(C)C(=O)N[*:1] O=C([O-])Cc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 O=C([O-])[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C[*:1]
Cc1c(CNC(=O)Nc2ccc3c(c2)oc(=O)n3C)cnn1C Cc1c(cnn1C)[*:1] Cn1c(=O)oc2cc(ccc21)NC(=O)NC[*:1]
C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1nc2c(s1)C(=O)CCC2 C1CCC(CC1)C[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1nc2CCCC(=O)c2s1
C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1nc2c(s1)C(=O)CCC2 C1CCC(CC1)[*:1] C[C@H](NC(=O)C[*:1])C(=O)Nc1nc2CCCC(=O)c2s1
O=S1(=O)CCCN1Cc1nc(-c2ccoc2)no1 c1cc(co1)[*:1] O=S1(=O)CCCN1Cc1nc(no1)[*:1]
CCN1CCn2c(nc3cc(C(=O)NCc4cccc(C)c4)ccc32)C1=O Cc1cccc(c1)C[*:1] CCN1CCn2c(nc3cc(ccc32)C(=O)N[*:1])C1=O
CCN1CCn2c(nc3cc(C(=O)NCc4cccc(C)c4)ccc32)C1=O Cc1cccc(c1)[*:1] CCN1CCn2c(nc3cc(ccc32)C(=O)NC[*:1])C1=O
CC(C)C(=O)N1CCC(c2c(S(C)(=O)=O)cnc3ncnn23)CC1 CC(C)[*:1] CS(=O)(=O)c1cnc2ncnn2c1C1CCN(CC1)C(=O)[*:1]
CC(C)C(=O)N1CCC(c2c(S(C)(=O)=O)cnc3ncnn23)CC1 CS(=O)(=O)[*:1] CC(C)C(=O)N1CCC(CC1)c1c(cnc2ncnn12)[*:1]
O[C@@H](c1ccccc1)c1nc2cc(Br)ccc2[nH]1 c1ccc(cc1)[*:1] O[C@@H](c1nc2cc(Br)ccc2[nH]1)[*:1]
COc1cc(NC(=O)NCC#CCOc2ccc3c(c2)OCO3)cc(OC)c1OC c1cc2OCOc2cc1O[*:1] COc1cc(cc(OC)c1OC)NC(=O)NCC#CC[*:1]
COc1cc(NC(=O)NCC#CCOc2ccc3c(c2)OCO3)cc(OC)c1OC c1cc2OCOc2cc1[*:1] COc1cc(cc(OC)c1OC)NC(=O)NCC#CCO[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2C)ccc1C CCN(CC)S(=O)(=O)[*:1] Cc1ccc(C)c(c1)NC(=O)c1ccc(C)c(c1)[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2C)ccc1C Cc1ccc(C)c(c1)[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1C)C(=O)N[*:1]
CCCc1cc(NC(=O)c2nonc2C)n(C)n1 Cc1nonc1[*:1] CCCc1cc(NC(=O)[*:1])n(C)n1
CCCc1cc(NC(=O)c2nonc2C)n(C)n1 CCC[*:1] Cc1nonc1C(=O)Nc1cc(nn1C)[*:1]
O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 FC(F)(F)c1ccccc1[*:1] O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 Fc1ccc(cc1)[*:1] O=C(NC1CC1)[C@H](N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F)[*:1]
O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 C1CC1[*:1] O=C(N[*:1])[C@H](c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F
O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 O=C(NC1CC1)[*:1] O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(CC1)[C@@H](c1ccc(F)cc1)[*:1]
Cc1c(F)cc(C(N)=O)cc1NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 NC(=O)[*:1] Cc1c(F)cc(cc1NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)[*:1]
O=C(NCc1ccc(C(=O)N2CCC[C@@H](O)C2)cc1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)C(=O)N1CCC[C@@H](O)C1)OC[*:1]
O=C(NCc1ccc(C(=O)N2CCC[C@@H](O)C2)cc1)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCc1ccc(cc1)C(=O)N1CCC[C@@H](O)C1)O[*:1]
O=C(NCc1ccc(C(=O)N2CCC[C@@H](O)C2)cc1)OCc1ccccc1 O=C(N1CCC[C@@H](O)C1)[*:1] O=C(NCc1ccc(cc1)[*:1])OCc1ccccc1
Cc1nsc(NC[C@@H]2C[C@H]3CC[C@@H]2C3)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NC[C@@H]2C[C@H]3CC[C@@H]2C3)c1[*:1]
O=C1CCc2c(OCc3ncc(-c4ccccc4)o3)cccc21 c1ccc(cc1)[*:1] O=C1CCc2c(cccc21)OCc1ncc(o1)[*:1]
C[C@@H]1C(=O)Nc2cc(S(C)(=O)=O)ccc2N1C(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@@H]1C(=O)Nc2cc(ccc2N1C(=O)c1ccc(cc1)[*:1])S(C)(=O)=O
C[C@@H]1C(=O)Nc2cc(S(C)(=O)=O)ccc2N1C(=O)c1ccc(C(C)(C)C)cc1 CS(=O)(=O)[*:1] C[C@@H]1C(=O)Nc2cc(ccc2N1C(=O)c1ccc(cc1)C(C)(C)C)[*:1]
COCC1CCN(c2nc(C)c(CC(C)C)c(C)n2)CC1 CC(C)[*:1] COCC1CCN(CC1)c1nc(C)c(C[*:1])c(C)n1
COCC1CCN(c2nc(C)c(CC(C)C)c(C)n2)CC1 CC(C)C[*:1] COCC1CCN(CC1)c1nc(C)c(c(C)n1)[*:1]
COCC1CCN(c2nc(C)c(CC(C)C)c(C)n2)CC1 COC[*:1] Cc1nc(nc(C)c1CC(C)C)N1CCC(CC1)[*:1]
CCOC(=O)[C@H](CO)N(c1ccc(C)cc1)[S@@](=O)O CCOC(=O)[*:1] Cc1ccc(cc1)N([C@@H](CO)[*:1])[S@@](=O)O
COC(=O)c1ccc(Cn2nc(-c3ccc(C)cc3C)ccc2=O)o1 COC(=O)[*:1] Cc1ccc(-c2ccc(=O)n(Cc3ccc(o3)[*:1])n2)c(C)c1
COC(=O)c1ccc(Cn2nc(-c3ccc(C)cc3C)ccc2=O)o1 Cc1ccc(c(C)c1)[*:1] COC(=O)c1ccc(Cn2nc(ccc2=O)[*:1])o1
C=CCNC(=O)C(=O)Nc1cccc(Cl)c1C C=CC[*:1] Cc1c(Cl)cccc1NC(=O)C(=O)N[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 O=C1CCCN1C[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCc1ccc(cc1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 O=C1CCCN1[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCc1ccc(cc1)C[*:1]
Cc1cc(=O)[nH]c(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1 C1CCC(CC1)[*:1] Cc1cc(=O)[nH]c(n1)SCC(=O)N(C1CCCCC1)[*:1]
Cc1cc(=O)[nH]c(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1 Cc1cc(=O)[nH]c(n1)[*:1] O=C(CS[*:1])N(C1CCCCC1)C1CCCCC1
C[C@@H](NC(=O)Nc1ncnn1C)[C@@H](C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)Nc1ncnn1C)[C@@H](C)[*:1]
C[C@@H](NC(=O)Nc1ncnn1C)[C@@H](C)N1CCOCC1 Cn1ncnc1[*:1] C[C@@H](NC(=O)N[*:1])[C@@H](C)N1CCOCC1
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCS(C)(=O)=O Clc1ccc(cc1)[*:1] Cc1nn(cc1C(=O)NCCS(C)(=O)=O)[*:1]
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCS(C)(=O)=O CS(=O)(=O)CC[*:1] Cc1nn(cc1C(=O)N[*:1])-c1ccc(Cl)cc1
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1nn(cc1C(=O)NC[*:1])-c1ccc(Cl)cc1
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCCS(C)(=O)=O CS(=O)(=O)[*:1] Cc1nn(cc1C(=O)NCC[*:1])-c1ccc(Cl)cc1
CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCc1ccco1 c1coc(c1)CC[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)N[*:1]
CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCc1ccco1 c1coc(c1)[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC[*:1]
CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCc1ccco1 c1coc(c1)C[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[*:1]
Cc1cnc([C@H](NC(=O)N2CCOC(C)(C)C2)C2CC2)s1 Cc1cnc(s1)[*:1] CC1(C)CN(CCO1)C(=O)N[C@H](C1CC1)[*:1]
Cc1cnc([C@H](NC(=O)N2CCOC(C)(C)C2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H](NC(=O)N1CCOC(C)(C)C1)[*:1]
Clc1cccc([C@H]2CCN(c3ncnc4c3CC[NH2+]C4)C2)c1 Clc1cccc(c1)[*:1] c1nc2C[NH2+]CCc2c(n1)N1CC[C@@H](C1)[*:1]
CC[C@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H]([NH2+][C@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
CC[C@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1c(C)nn(C)c1C C1CC1[*:1] CC[C@H]([NH2+][C@H](c1cccc(c1)C(F)(F)F)[*:1])c1c(C)nn(C)c1C
CC[C@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1c(C)nn(C)c1C FC(F)(F)[*:1] CC[C@H]([NH2+][C@H](c1cccc(c1)[*:1])C1CC1)c1c(C)nn(C)c1C
CC(C)(CNc1cc(OC(F)F)c(F)cc1N)S(C)(=O)=O FC(F)[*:1] CC(C)(CNc1cc(O[*:1])c(F)cc1N)S(C)(=O)=O
CC(C)(CNc1cc(OC(F)F)c(F)cc1N)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNc1cc(OC(F)F)c(F)cc1N)[*:1]
CC(C)(CNc1cc(OC(F)F)c(F)cc1N)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] Nc1cc(F)c(cc1NC[*:1])OC(F)F
CC(C)(CNc1cc(OC(F)F)c(F)cc1N)S(C)(=O)=O FC(F)O[*:1] CC(C)(CNc1cc(c(F)cc1N)[*:1])S(C)(=O)=O
CCO[C@H](CCNC(=O)Nn1cnc2ccccc21)C1CCCC1 CCO[*:1] O=C(NCC[C@H](C1CCCC1)[*:1])Nn1cnc2ccccc21
CCO[C@H](CCNC(=O)Nn1cnc2ccccc21)C1CCCC1 C1CCC(C1)[*:1] CCO[C@H](CCNC(=O)Nn1cnc2ccccc21)[*:1]
Cc1c(C(=O)N(C)Cc2c(F)cccc2Cl)cnn1-c1ccncc1 Fc1cccc(Cl)c1[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N(C)C[*:1]
Cc1c(C(=O)N(C)Cc2c(F)cccc2Cl)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N(C)Cc1c(F)cccc1Cl
Clc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 C1CO[C@H](C1)[*:1] Clc1ccc(cc1)[C@@H](c1nnnn1C[*:1])N1CC[NH+](CC1)C1CCCC1
Clc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 Clc1ccc(cc1)[*:1] C1CCC(C1)[NH+]1CCN(CC1)[C@H](c1nnnn1C[C@H]1CCCO1)[*:1]
Clc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 C1CO[C@H](C1)C[*:1] Clc1ccc(cc1)[C@@H](c1nnnn1[*:1])N1CC[NH+](CC1)C1CCCC1
COC(=O)c1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 COC(=O)[*:1] COc1ccc(cc1NC(=O)[C@H]1CCCN(C1)S(=O)(=O)N(C)C)[*:1]
CSC[C@@H](C)N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 C1CCN(CC1)[*:1] CSC[C@@H](C)N(C)C(=O)NCc1cc[nH+]c(c1)[*:1]
CSC[C@@H](C)N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 CSC[*:1] C[C@@H](N(C)C(=O)NCc1cc[nH+]c(c1)N1CCCCC1)[*:1]
CC[C@H](C(=O)N1CCc2cc(F)ccc2C1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCc2cc(F)ccc2C1)[*:1]
O=C1CCC(=O)N1c1c(Cl)c(F)nc2c1Oc1ccccc1O2 O=C1CCC(=O)N1[*:1] Fc1nc2Oc3ccccc3Oc2c(c1Cl)[*:1]
Cc1nnc(NC(=O)c2oc3ccccc3c2C)s1 Cc1nnc(s1)[*:1] Cc1c(oc2ccccc12)C(=O)N[*:1]
N#Cc1ccc(OCC(=O)NCc2ccon2)cc1 c1cc(C[*:1])no1 N#Cc1ccc(cc1)OCC(=O)N[*:1]
N#Cc1ccc(OCC(=O)NCc2ccon2)cc1 c1cc(no1)[*:1] N#Cc1ccc(cc1)OCC(=O)NC[*:1]
C[C@H](NC(=O)Nc1cccnc1)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)Nc1cccnc1)[*:1]
C[NH+](C)CCn1cnc(CC[NH3+])c1 [NH3+]CC[*:1] C[NH+](C)CCn1cnc(c1)[*:1]
Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@@H]1CCC(=O)O1 C1CCC(CC1)[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCC(=O)O1)C(=O)N[*:1]
Cn1c(=O)n(C)c2cc(NC(=O)c3cc4ccc(C(C)(C)C)cc4[nH]3)ccc21 CC(C)(C)[*:1] Cn1c(=O)n(C)c2cc(ccc21)NC(=O)c1cc2ccc(cc2[nH]1)[*:1]
CCc1cccc(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)c1 CC(=O)N[*:1] CCc1cccc(c1)NC(=O)C[C@H](c1ccc(cc1)OC)[*:1]
CCc1cccc(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)c1 COc1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)C[C@H](NC(C)=O)[*:1]
CCc1cccc(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)c1 CCc1cccc(c1)[*:1] COc1ccc(cc1)[C@H](CC(=O)N[*:1])NC(C)=O
O=C(CCNC(=O)Nc1ccccc1)NCC1([NH+]2CCCCC2)CCCCC1 c1ccc(cc1)[*:1] O=C(CCNC(=O)N[*:1])NCC1(CCCCC1)[NH+]1CCCCC1
CC(C)(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] CC(C)(C)c1ccccc1NC(=O)c1ccc(o1)[*:1]
CC(C)(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 CC(C)(C)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(o1)[N+](=O)[O-]
C#Cc1cc(F)c(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)c(F)c1 c1ccc(cc1)[*:1] C#Cc1cc(F)c(NC(=O)N2CCNC(=O)[C@H]2[*:1])c(F)c1
Cc1cc2c(N(C)CCC(F)(F)F)ncnc2s1 FC(F)(F)[*:1] Cc1cc2c(ncnc2s1)N(C)CC[*:1]
Cc1cc2c(N(C)CCC(F)(F)F)ncnc2s1 FC(F)(F)C[*:1] Cc1cc2c(ncnc2s1)N(C)C[*:1]
Cc1cc2c(N(C)CCC(F)(F)F)ncnc2s1 FC(F)(F)CC[*:1] Cc1cc2c(ncnc2s1)N(C)[*:1]
CSc1n[nH]c2ncnc(NC3CCSCC3)c12 C1CC(CCS1)[*:1] CSc1n[nH]c2ncnc(N[*:1])c12
O=C(Nc1ccc2c(c1)OCCCO2)c1cn(Cc2ccccc2)nc1-c1cccs1 c1csc(c1)[*:1] O=C(Nc1ccc2OCCCOc2c1)c1cn(Cc2ccccc2)nc1[*:1]
O=C(Nc1ccc2c(c1)OCCCO2)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)[*:1] O=C(Nc1ccc2OCCCOc2c1)c1cn(C[*:1])nc1-c1cccs1
O=C(Nc1ccc2c(c1)OCCCO2)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)C[*:1] O=C(Nc1ccc2OCCCOc2c1)c1cn(nc1-c1cccs1)[*:1]
CCCC[C@@H](C(=O)[O-])[C@]1(O)CCC[C@H](C(C)(C)C)CC1 CCCC[*:1] CC(C)(C)[C@H]1CCC[C@](O)(CC1)[C@H](C(=O)[O-])[*:1]
CCCC[C@@H](C(=O)[O-])[C@]1(O)CCC[C@H](C(C)(C)C)CC1 CCC[*:1] CC(C)(C)[C@H]1CCC[C@](O)(CC1)[C@@H](C[*:1])C(=O)[O-]
CCCC[C@@H](C(=O)[O-])[C@]1(O)CCC[C@H](C(C)(C)C)CC1 O=C([O-])[*:1] CCCC[C@@H]([C@]1(O)CCC[C@@H](CC1)C(C)(C)C)[*:1]
CCCC[C@@H](C(=O)[O-])[C@]1(O)CCC[C@H](C(C)(C)C)CC1 CC(C)(C)[*:1] CCCC[C@@H](C(=O)[O-])[C@]1(O)CCC[C@H](CC1)[*:1]
COc1ccc(F)cc1NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] COc1ccc(F)cc1NC(=O)N[C@H]1CCN(C1=O)[*:1]
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 Cc1cccc(c1)[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H](C)O[*:1]
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 Fc1ccc(cc1)O[*:1] Cc1cccc(c1)O[C@H](C)C(=O)NNC(=O)[C@H](C)[*:1]
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 Cc1cccc(c1)O[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H](C)[*:1]
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)NNC(=O)[C@H](C)O[*:1]
CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 CC(C)S(=O)(=O)[*:1] C[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)[*:1]
CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 CC(C)[*:1] C[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)S(=O)(=O)[*:1]
C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)c1cccc(C#N)c1 FC(F)O[*:1] C[C@@H]([NH2+]Cc1ccc(c(Br)c1)[*:1])c1cccc(C#N)c1
C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)c1cccc(C#N)c1 FC(F)[*:1] C[C@@H]([NH2+]Cc1ccc(O[*:1])c(Br)c1)c1cccc(C#N)c1
Cc1cc(=O)[nH]c(-c2ccc(N3CCN(C(=O)[C@H]4C[C@H]4C)CC3)[nH+]c2)n1 Cc1cc(=O)[nH]c(n1)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CC(C)(C)SCCCC(=O)N1CCO[C@H](c2nccs2)C1 CC(C)(C)S[*:1] O=C(CCC[*:1])N1CCO[C@@H](C1)c1nccs1
CC(C)(C)SCCCC(=O)N1CCO[C@H](c2nccs2)C1 CC(C)(C)SCC[*:1] O=C(C[*:1])N1CCO[C@@H](C1)c1nccs1
CC(C)(C)SCCCC(=O)N1CCO[C@H](c2nccs2)C1 CC(C)(C)SC[*:1] O=C(CC[*:1])N1CCO[C@@H](C1)c1nccs1
CC(C)(C)SCCCC(=O)N1CCO[C@H](c2nccs2)C1 CC(C)(C)[*:1] O=C(CCCS[*:1])N1CCO[C@@H](C1)c1nccs1
CC(C)(C)SCCCC(=O)N1CCO[C@H](c2nccs2)C1 c1csc(n1)[*:1] CC(C)(C)SCCCC(=O)N1CCO[C@H](C1)[*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCOC1CCOCC1 O=C([O-])[*:1] CC(C)[NH2+][C@]1(CCC[C@@H]1CCOC1CCOCC1)[*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCOC1CCOCC1 C1CC(CCO1)O[*:1] CC(C)[NH2+][C@]1(CCC[C@@H]1CC[*:1])C(=O)[O-]
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCOC1CCOCC1 C1CC(CCO1)[*:1] CC(C)[NH2+][C@]1(CCC[C@@H]1CCO[*:1])C(=O)[O-]
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCOC1CCOCC1 CC(C)[*:1] O=C([O-])[C@@]1(CCC[C@@H]1CCOC1CCOCC1)[NH2+][*:1]
Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)s1 c1coc(c1)[*:1] Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(C2)C[*:1])s1
Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)s1 c1coc(c1)C[*:1] Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)s1 Cc1ccc(s1)[*:1] O=C(NN=C[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
Cc1cc(Br)ccc1NC(=O)CSc1cccs1 c1csc(c1)[*:1] Cc1cc(Br)ccc1NC(=O)CS[*:1]
Cc1cc(Br)ccc1NC(=O)CSc1cccs1 c1csc(c1)S[*:1] Cc1cc(Br)ccc1NC(=O)C[*:1]
c1ccc([C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)C2CC2)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)[C@H]([NH2+]C[C@H](c1cccs1)[*:1])C1CC1
c1ccc([C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)C2CC2)cc1 c1csc(c1)[*:1] c1ccc(cc1)[C@H]([NH2+]C[C@H](N1CCOCC1)[*:1])C1CC1
c1ccc([C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)C2CC2)cc1 c1ccc(cc1)[*:1] c1csc(c1)[C@@H](C[NH2+][C@H](C1CC1)[*:1])N1CCOCC1
c1ccc([C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)C2CC2)cc1 C1CC1[*:1] c1ccc(cc1)[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)[*:1]
CO[C@H]1CCC[C@H](OC(=O)C2CCN(C(=O)C(C)C)CC2)C1 CC(C)[*:1] CO[C@H]1CCC[C@@H](C1)OC(=O)C1CCN(CC1)C(=O)[*:1]
O=C(CSc1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(CS[*:1])Nc1ccccc1C(=O)Nc1ccc2OCOc2c1
O=C(CSc1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)SC[*:1] O=C(Nc1ccc2OCOc2c1)c1ccccc1NC(=O)[*:1]
O=C(CSc1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)S[*:1] O=C(C[*:1])Nc1ccccc1C(=O)Nc1ccc2OCOc2c1
O=C(CSc1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CSc1ccccc1)Nc1ccccc1C(=O)N[*:1]
O=C([C@H]1CCOc2ccccc2C1)N1CCN(Cc2ccccc2CO)CC1 OCc1ccccc1C[*:1] O=C([C@H]1CCOc2ccccc2C1)N1CCN(CC1)[*:1]
O=C([C@H]1CCOc2ccccc2C1)N1CCN(Cc2ccccc2CO)CC1 OCc1ccccc1[*:1] O=C([C@H]1CCOc2ccccc2C1)N1CCN(CC1)C[*:1]
CCOc1ccc2ccccc2c1C(=O)N1CCN(Cc2nc(C)cs2)CC1 CCO[*:1] Cc1csc(CN2CCN(CC2)C(=O)c2c(ccc3ccccc23)[*:1])n1
CCOc1ccc2ccccc2c1C(=O)N1CCN(Cc2nc(C)cs2)CC1 Cc1csc(C[*:1])n1 CCOc1ccc2ccccc2c1C(=O)N1CCN(CC1)[*:1]
CCOc1ccc2ccccc2c1C(=O)N1CCN(Cc2nc(C)cs2)CC1 Cc1csc(n1)[*:1] CCOc1ccc2ccccc2c1C(=O)N1CCN(CC1)C[*:1]
CCOc1ncccc1CNC(=O)N1CC[C@@H]([N+]2=CCCC2)C1 CCO[*:1] O=C(NCc1cccnc1[*:1])N1CC[C@H](C1)[N+]1=CCCC1
CCOc1ccccc1NC(=O)C[S@](=O)Cc1ncc(Cl)n1C Cn1c(Cl)cnc1[*:1] CCOc1ccccc1NC(=O)C[S@](=O)C[*:1]
CCOc1ccccc1NC(=O)C[S@](=O)Cc1ncc(Cl)n1C CCO[*:1] Cn1c(Cl)cnc1C[S@@](=O)CC(=O)Nc1ccccc1[*:1]
NC(=O)[C@@H]1CN(CC(=O)Nc2cccc(F)c2)CCO1 NC(=O)[*:1] O=C(CN1CCO[C@@H](C1)[*:1])Nc1cccc(F)c1
O=C1[C@@H]2[C@H](c3ccc(O)cc3)NN(Cc3ccccc3)[C@H]2C(=O)N1C1CCCCC1 c1ccc(cc1)C[*:1] O=C1[C@@H]2[C@@H](NN([C@H]2C(=O)N1C1CCCCC1)[*:1])c1ccc(O)cc1
O=C1[C@@H]2[C@H](c3ccc(O)cc3)NN(Cc3ccccc3)[C@H]2C(=O)N1C1CCCCC1 c1ccc(cc1)[*:1] O=C1[C@@H]2[C@@H](NN(C[*:1])[C@H]2C(=O)N1C1CCCCC1)c1ccc(O)cc1
O=C1[C@@H]2[C@H](c3ccc(O)cc3)NN(Cc3ccccc3)[C@H]2C(=O)N1C1CCCCC1 Oc1ccc(cc1)[*:1] O=C1[C@H]2[C@H](C(=O)N1C1CCCCC1)N(Cc1ccccc1)N[C@@H]2[*:1]
O=C1[C@@H]2[C@H](c3ccc(O)cc3)NN(Cc3ccccc3)[C@H]2C(=O)N1C1CCCCC1 C1CCC(CC1)[*:1] O=C1[C@@H]2[C@@H](NN(Cc3ccccc3)[C@H]2C(=O)N1[*:1])c1ccc(O)cc1
Cc1csc([C@@H](C#N)C(=O)c2cc3c(C(C)C)nn(C)c3s2)n1 CC(C)[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)c1cc2c(nn(C)c2s1)[*:1]
Cc1csc([C@@H](C#N)C(=O)c2cc3c(C(C)C)nn(C)c3s2)n1 Cc1csc(n1)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)[C@H](C#N)[*:1]
CC(=O)c1ccc(NC(=O)[C@H]2CCO[C@@H]2C)cc1 CC(=O)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
Nc1ccc(SCCCc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] Nc1ccc(SCCC[*:1])c(F)c1
CS(=O)(=O)N1CCCc2cc(-c3csc(-c4ccsc4)n3)ccc21 c1cc(cs1)[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)-c1csc(n1)[*:1]
COc1ccc(-c2nnc(S[C@@H](C)c3nnnn3-c3ccccc3)n2N)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nnc(S[C@@H](C)c2nnnn2[*:1])n1N
COc1ccc(-c2nnc(S[C@@H](C)c3nnnn3-c3ccccc3)n2N)cc1 COc1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1N)[*:1])c1nnnn1-c1ccccc1
O=C(Nc1c(F)cccc1Br)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] O=C(Nc1c(F)cccc1Br)c1cccc(c1)[*:1]
COc1ccc2c(c1)[C@H]([NH2+]CCNc1ncccc1C(F)(F)F)CCO2 FC(F)(F)[*:1] COc1ccc2OCC[C@@H]([NH2+]CCNc3ncccc3[*:1])c2c1
O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(Oc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(CC1)[*:1]
O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(Oc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(CC1)O[*:1]
C[C@H](NC(=O)Nc1cc(Br)cn(C)c1=O)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)Nc1cc(Br)cn(C)c1=O)[*:1]
O=C(NCC#CCOc1ccccc1F)c1c[nH]c2ccccc12 Fc1ccccc1[*:1] O=C(NCC#CCO[*:1])c1c[nH]c2ccccc12
O=C(NCC#CCOc1ccccc1F)c1c[nH]c2ccccc12 Fc1ccccc1O[*:1] O=C(NCC#CC[*:1])c1c[nH]c2ccccc12
CCc1nsc(N2CCN(CCS(N)(=O)=O)CC2)n1 NS(=O)(=O)[*:1] CCc1nsc(n1)N1CCN(CC1)CC[*:1]
CCc1nsc(N2CCN(CCS(N)(=O)=O)CC2)n1 NS(=O)(=O)C[*:1] CCc1nsc(n1)N1CCN(CC1)C[*:1]
CCc1nsc(N2CCN(CCS(N)(=O)=O)CC2)n1 NS(=O)(=O)CC[*:1] CCc1nsc(n1)N1CCN(CC1)[*:1]
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2ccccc2C)c1 Cc1ccccc1[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N1CCC[C@@H]1[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 CC(C)(C)[*:1] O=C([O-])CN(C(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
CC(C)(C)N(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(C)N(CC(=O)[O-])C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1]
COc1cc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)cc(OC)c1 COc1cccc(c1)[*:1] COc1cc(cc(c1)OC)NC(=O)c1cc(n[nH]1)[*:1]
CCc1cccc(C(=O)Nc2ccc(N3CCOCC3)cn2)c1O C1CN(CCO1)[*:1] CCc1cccc(C(=O)Nc2ccc(cn2)[*:1])c1O
Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] c1cncc(c1)C[*:1] Cc1ccccc1CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[*:1]
Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] Cc1ccccc1C[*:1] O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(Cc1cccnc1)[*:1]
Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] c1cncc(c1)[*:1] Cc1ccccc1CN(C[*:1])C(=O)c1cc(F)c(F)cc1[N+](=O)[O-]
Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] Cc1ccccc1[*:1] O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(Cc1cccnc1)C[*:1]
Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(F)c(F)cc1[*:1]
C[C@@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCc2ccccc21 C1CC1[*:1] C[C@@H](NC(=O)N[C@H]1CC(=O)N(C1)[*:1])C(=O)N1CCc2ccccc21
COC(=O)C(C)(C)[C@H]1CCCN(Cn2ccc(-c3ccccc3)n2)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)Cn1ccc(n1)-c1ccccc1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(Cn2ccc(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)Cn1ccc(n1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(Cn2ccc(-c3ccccc3)n2)C1 COC(=O)C(C)(C)[*:1] c1ccc(cc1)-c1ccn(CN2CCC[C@@H](C2)[*:1])n1
Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)c1 c1csc(c1)C[*:1] Cc1ccc(C(=O)CSc2nnc(n2C2CC2)[*:1])c(C)c1
Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)c1 C1CC1[*:1] Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2[*:1])c(C)c1
Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CSc1nnc(Cc2cccs2)n1C1CC1)[*:1]
Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)c1 c1csc(c1)[*:1] Cc1ccc(C(=O)CSc2nnc(C[*:1])n2C2CC2)c(C)c1
CS(=O)(=O)CCCNC(=O)c1cc2cccc(Cl)c2o1 CS(=O)(=O)[*:1] O=C(NCCC[*:1])c1cc2cccc(Cl)c2o1
CS(=O)(=O)CCCNC(=O)c1cc2cccc(Cl)c2o1 CS(=O)(=O)CC[*:1] O=C(NC[*:1])c1cc2cccc(Cl)c2o1
CS(=O)(=O)CCCNC(=O)c1cc2cccc(Cl)c2o1 CS(=O)(=O)C[*:1] O=C(NCC[*:1])c1cc2cccc(Cl)c2o1
COc1cccc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)c1 Fc1cccc(F)c1[*:1] COc1cccc(c1)NC(=O)[C@H](NC(=O)[*:1])C(C)C
COc1cccc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)c1 COc1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[*:1]
COc1cccc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)c1 CC(C)[*:1] COc1cccc(c1)NC(=O)[C@H](NC(=O)c1c(F)cccc1F)[*:1]
C[C@H]1C[C@@H](Nc2ccc(CN3CCOCC3)cc2)CS1 C1CN(CCO1)[*:1] C[C@H]1C[C@H](CS1)Nc1ccc(cc1)C[*:1]
Cn1cc2cc(C(=O)[O-])ccc2n1 O=C([O-])[*:1] Cn1cc2cc(ccc2n1)[*:1]
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C1/S[C@@H](CC(=O)N[*:1])C(=O)N1C1CCCCC1
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C1/S[C@@H](C[*:1])C(=O)N1C1CCCCC1
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)NC(=O)C[C@@H]1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(C1=O)[*:1]
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 Cc1ccc(cc1)NC(=O)C[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C1/S[C@H](C(=O)N1C1CCCCC1)[*:1]
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/S(=O)(=O)c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C[C@@H]1S/C(=N/S(=O)(=O)[*:1])N(C1=O)C1CCCCC1
Nc1nnc(SC(F)F)s1 FC(F)[*:1] Nc1nnc(S[*:1])s1
O=C(Cc1ccc(F)cc1)NCCCCn1cnnc1 c1nncn1C[*:1] O=C(Cc1ccc(F)cc1)NCCC[*:1]
O=C(Cc1ccc(F)cc1)NCCCCn1cnnc1 c1nncn1[*:1] O=C(Cc1ccc(F)cc1)NCCCC[*:1]
CS[C@@]1(NC#N)NCCC2=c3ccccc3=[NH+][C@H]21 N#CN[*:1] CS[C@]1(NCCC2=c3ccccc3=[NH+][C@H]21)[*:1]
Cc1csc(=O)n1CCN1C(=O)N[C@](C)(c2ccco2)C1=O Cc1csc(=O)n1[*:1] C[C@@]1(NC(=O)N(CC[*:1])C1=O)c1ccco1
Cc1csc(=O)n1CCN1C(=O)N[C@](C)(c2ccco2)C1=O c1coc(c1)[*:1] Cc1csc(=O)n1CCN1C(=O)N[C@](C)(C1=O)[*:1]
CCOC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 COc1cccc(c1)[*:1] CCOC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1]
CCOC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 c1csc(c1)[*:1] CCOC(=O)[C@@]1(C)N[C@@H]([C@H]2C(=O)N(C(=O)[C@@H]21)c1cccc(c1)OC)[*:1]
CCOC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 CCOC(=O)[*:1] COc1cccc(c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@](C)(N[C@H]2c1cccs1)[*:1]
C[C@@H](Cl)c1nc2cccc(Cl)c2n1C[C@@H]1CN(C)CCO1 C[C@@H](Cl)[*:1] CN1CCO[C@@H](C1)Cn1c(nc2cccc(Cl)c21)[*:1]
C[C@@H](Cl)c1nc2cccc(Cl)c2n1C[C@@H]1CN(C)CCO1 CN1CCO[C@@H](C1)[*:1] C[C@@H](Cl)c1nc2cccc(Cl)c2n1C[*:1]
O=C(/C=C/c1ccccc1)Nc1c(Cl)cccc1Cl c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1c(Cl)cccc1Cl
Cc1ccnc(NC(=O)CSc2nnnn2C)c1 Cn1nnnc1[*:1] Cc1ccnc(c1)NC(=O)CS[*:1]
C[NH2+][C@@H](C)c1cccc(OC[C@@H](C)C(N)=O)c1 NC(=O)[*:1] C[NH2+][C@@H](C)c1cccc(c1)OC[C@@H](C)[*:1]
C[NH2+][C@@H](C)c1cccc(OC[C@@H](C)C(N)=O)c1 C[C@@H](C(N)=O)[*:1] C[NH2+][C@@H](C)c1cccc(c1)OC[*:1]
Cc1ccccc1OC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 Cc1ccccc1[*:1] O=C1N[C@@H]2CS[C@H](CCCCC(=O)O[*:1])[C@@H]2N1
Cc1cc(N/C(=N\c2ccc(Cl)cc2)n2sc(C)cc2=N)no1 Clc1ccc(cc1)[*:1] Cc1cc(no1)NC(=N[*:1])n1sc(C)cc1=N
Cc1cc(N/C(=N\c2ccc(Cl)cc2)n2sc(C)cc2=N)no1 Cc1cc(no1)[*:1] Cc1cc(=N)n(s1)/C(=N/c1ccc(Cl)cc1)N[*:1]
Cn1cc(COC(=O)CCc2cccs2)cn1 c1csc(c1)[*:1] Cn1cc(cn1)COC(=O)CC[*:1]
CC[NH2+][C@H](Cc1nc(C)c(C)s1)c1cscc1C Cc1cscc1[*:1] CC[NH2+][C@H](Cc1nc(C)c(C)s1)[*:1]
CCCCNC(=O)Cn1nc2cc(C)nc(Nc3cccc(C)c3)n2c1=O CCC[*:1] Cc1cccc(c1)Nc1nc(C)cc2nn(CC(=O)NC[*:1])c(=O)n12
CCCCNC(=O)Cn1nc2cc(C)nc(Nc3cccc(C)c3)n2c1=O CCCC[*:1] Cc1cccc(c1)Nc1nc(C)cc2nn(CC(=O)N[*:1])c(=O)n12
CCCCNC(=O)Cn1nc2cc(C)nc(Nc3cccc(C)c3)n2c1=O Cc1cccc(c1)[*:1] CCCCNC(=O)Cn1nc2cc(C)nc(N[*:1])n2c1=O
CCCCNC(=O)Cn1nc2cc(C)nc(Nc3cccc(C)c3)n2c1=O CCCCNC(=O)C[*:1] Cc1cccc(c1)Nc1nc(C)cc2nn(c(=O)n12)[*:1]
CCCCNC(=O)Cn1nc2cc(C)nc(Nc3cccc(C)c3)n2c1=O Cc1cccc(c1)N[*:1] CCCCNC(=O)Cn1nc2cc(C)nc(n2c1=O)[*:1]
CCCCNC(=O)Cn1nc2cc(C)nc(Nc3cccc(C)c3)n2c1=O CCCCNC(=O)[*:1] Cc1cccc(c1)Nc1nc(C)cc2nn(C[*:1])c(=O)n12
[NH3+][C@H](CSc1ccccc1Cl)[C@@H]1CCO[C@]2(CCOC2)C1 Clc1ccccc1[*:1] [NH3+][C@H](CS[*:1])[C@@H]1CCO[C@]2(CCOC2)C1
CC[C@@H](CSC)N(C)c1cc(N2CCCCC2)ncn1 C1CCN(CC1)[*:1] CC[C@@H](CSC)N(C)c1cc(ncn1)[*:1]
CC[C@@H](CSC)N(C)c1cc(N2CCCCC2)ncn1 CSC[*:1] CC[C@@H](N(C)c1cc(ncn1)N1CCCCC1)[*:1]
CCC(=O)N1CCN(Cc2cncs2)CC1 c1ncc(s1)[*:1] CCC(=O)N1CCN(CC1)C[*:1]
N#CCN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 c1ccc(cc1)[*:1] N#CCN1CCN(CC1)Cc1cn(nc1-c1ccncc1)[*:1]
N#CCN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 N#CC[*:1] c1ccc(cc1)-n1cc(CN2CCN(CC2)[*:1])c(n1)-c1ccncc1
N#CCN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 N#CCN1CCN(CC1)[*:1] c1ccc(cc1)-n1cc(C[*:1])c(n1)-c1ccncc1
N#CCN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 c1cc(ccn1)[*:1] N#CCN1CCN(CC1)Cc1cn(nc1[*:1])-c1ccccc1
CCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c(c1)[*:1]
CCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c([N+](=O)[O-])c1 CCO[*:1] Cc1cc2oc(cc(=O)c2cc1Cl)C(=O)Nc1ccc(cc1[N+](=O)[O-])[*:1]
O=C(NCCOCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 FC(F)(F)CO[*:1] O=C(NCC[*:1])N1CCC(CC1)Cc1ccccc1
O=C(NCCOCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(NCCOCC(F)(F)F)N1CCC(CC1)[*:1]
O=C(NCCOCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 FC(F)(F)COCC[*:1] O=C(N[*:1])N1CCC(CC1)Cc1ccccc1
O=C(NCCOCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 FC(F)(F)COC[*:1] O=C(NC[*:1])N1CCC(CC1)Cc1ccccc1
O=C(NCCOCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCCOCC(F)(F)F)N1CCC(CC1)C[*:1]
O=C(NCCOCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 FC(F)(F)[*:1] O=C(NCCOC[*:1])N1CCC(CC1)Cc1ccccc1
O=C(NCCOCC(F)(F)F)N1CCC(Cc2ccccc2)CC1 FC(F)(F)C[*:1] O=C(NCCO[*:1])N1CCC(CC1)Cc1ccccc1
O=C(NC[C@@](O)(c1cccs1)C1CC1)C(=O)Nc1ccc(F)cc1 c1csc(c1)[*:1] O=C(NC[C@@](O)(C1CC1)[*:1])C(=O)Nc1ccc(F)cc1
O=C(NC[C@@](O)(c1cccs1)C1CC1)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@@](O)(c1cccs1)C1CC1)C(=O)N[*:1]
O=C(NC[C@@](O)(c1cccs1)C1CC1)C(=O)Nc1ccc(F)cc1 C1CC1[*:1] O=C(NC[C@@](O)(c1cccs1)[*:1])C(=O)Nc1ccc(F)cc1
COC(=O)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 COC(=O)[*:1] O=C1C[C@@H](CN1c1nc2ccccc2s1)[*:1]
CCn1nc(C)c(NCc2cccc(-c3ccccn3)c2)c1C c1ccc(nc1)[*:1] CCn1nc(C)c(NCc2cccc(c2)[*:1])c1C
COc1ccc(F)c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 Fc1ccc(cc1)O[*:1] COc1ccc(F)c(c1)NC(=O)c1ccc(C[*:1])o1
COc1ccc(F)c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1 Fc1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)c1ccc(CO[*:1])o1
FC(F)(F)/C(Br)=C(/Br)C(F)(F)F FC(F)(F)[*:1] FC(F)(F)/C(Br)=C(/Br)[*:1]
COc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)cc1C C1CCC(CC1)[*:1] COc1ccc(cc1C)NC(=O)Cc1csc(n1)NC(=O)N[*:1]
COc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)cc1C COc1ccc(cc1C)[*:1] O=C(Cc1csc(n1)NC(=O)NC1CCCCC1)N[*:1]
CCS(=O)(=O)N(C)CC(=O)O[C@@H]1CCc2ccccc2C1 CCS(=O)(=O)N(C)[*:1] O=C(C[*:1])O[C@@H]1CCc2ccccc2C1
O=C(/N=C(/[N-]C[C@H]1CCCO1)Nc1cccc(F)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(/N=C(/[N-]C[C@H]1CCCO1)Nc1cccc(F)c1)[*:1]
O=C(/N=C(/[N-]C[C@H]1CCCO1)Nc1cccc(F)c1)c1ccc(Cl)cc1 Fc1cccc(c1)[*:1] O=C(/N=C(/[N-]C[C@H]1CCCO1)N[*:1])c1ccc(Cl)cc1
CC(=O)N1CCC[NH+](C2CCC(C(C)(C)C)CC2)CC1 CC(C)(C)[*:1] CC(=O)N1CCC[NH+](CC1)C1CCC(CC1)[*:1]
O=C(NCCc1ccccc1)[C@H](c1ccccc1)n1cccc1 c1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H](c1ccccc1)n1cccc1
O=C(NCCc1ccccc1)[C@H](c1ccccc1)n1cccc1 c1ccc(cc1)[*:1] O=C(NCCc1ccccc1)[C@H](n1cccc1)[*:1]
O=C(NCCc1ccccc1)[C@H](c1ccccc1)n1cccc1 c1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H](c1ccccc1)n1cccc1
O=C(NCCc1ccccc1)[C@H](c1ccccc1)n1cccc1 c1ccn(c1)[*:1] O=C(NCCc1ccccc1)[C@H](c1ccccc1)[*:1]
COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] COc1ccc(/C=N/NC(=O)C(=O)N[*:1])cc1
NNC(=O)c1ccc(CSc2cc(F)ccc2N)o1 NNC(=O)[*:1] Nc1ccc(F)cc1SCc1ccc(o1)[*:1]
CCCC(=O)Oc1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1 CCC[*:1] COc1ccc(cc1)-c1cc(=O)c2cc(ccc2o1)OC(=O)[*:1]
CCCC(=O)Oc1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1 COc1ccc(cc1)[*:1] CCCC(=O)Oc1ccc2oc(cc(=O)c2c1)[*:1]
CCCC(=O)Oc1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1 CCCC(=O)O[*:1] COc1ccc(cc1)-c1cc(=O)c2cc(ccc2o1)[*:1]
NC(=O)C1=C(N)Oc2nc([O-])[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] NC(=O)C1=C(N)Oc2nc([O-])[nH]c(=O)c2[C@@H]1[*:1]
NC(=O)C1=C(N)Oc2nc([O-])[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1 NC(=O)[*:1] NC1Oc2nc([O-])[nH]c(=O)c2[C@H](C=1[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)Nc1ccc(F)cc1F)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C)s2)C(C)C)c1 Cc1ccc(s1)[*:1] COc1ccc(c(c1)C(=O)N(C[*:1])C(C)C)[N+](=O)[O-]
COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C)s2)C(C)C)c1 Cc1ccc(C[*:1])s1 COc1ccc(c(c1)C(=O)N(C(C)C)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C)s2)C(C)C)c1 CC(C)[*:1] COc1ccc(c(c1)C(=O)N(Cc1ccc(C)s1)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccc(C)s2)C(C)C)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)N(Cc1ccc(C)s1)C(C)C)[*:1]
O=C(Cc1cccc2ccccc12)NC[C@@H](O)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1cccc2ccccc12)NC[C@@H](O)[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1c(C)nn(CC(C)C)c1C CC(C)C[*:1] CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1c(C)nn(c1C)[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1c(C)nn(CC(C)C)c1C CCC[*:1] Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC[C@H](C)[C@@H]1[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1c(C)nn(CC(C)C)c1C CC(C)[*:1] CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1c(C)nn(C[*:1])c1C
Cc1cccc(S[C@H](C(N)=O)c2ccccc2)c1 NC(=O)[*:1] Cc1cccc(c1)S[C@H](c1ccccc1)[*:1]
Cc1cccc(S[C@H](C(N)=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)S[C@H](C(N)=O)[*:1]
O=C(Oc1ccc(OCC2CC2)cc1)[C@H]1CCCS1 C1CC1[*:1] O=C(Oc1ccc(cc1)OC[*:1])[C@H]1CCCS1
O=C(Oc1ccc(OCC2CC2)cc1)[C@H]1CCCS1 C1CC1C[*:1] O=C(Oc1ccc(cc1)O[*:1])[C@H]1CCCS1
O=C(Oc1ccc(OCC2CC2)cc1)[C@H]1CCCS1 C1CC1CO[*:1] O=C(Oc1ccc(cc1)[*:1])[C@H]1CCCS1
CCCN(C)C(=O)c1ccc(Br)cc1F CCC[*:1] CN(C(=O)c1ccc(Br)cc1F)[*:1]
Cc1ccc(-c2csc3ncnc(SCC(=O)c4c(N)n(C5CC5)c(=O)[nH]c4=O)c23)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1csc2ncnc(SCC(=O)c3c(N)n(c(=O)[nH]c3=O)[*:1])c12
Cc1ccc(-c2csc3ncnc(SCC(=O)c4c(N)n(C5CC5)c(=O)[nH]c4=O)c23)cc1 Cc1ccc(cc1)[*:1] Nc1c(C(=O)CSc2ncnc3scc(c23)[*:1])c(=O)[nH]c(=O)n1C1CC1
CCCN(CCC[NH3+])c1ccc(C(N)=O)cn1 NC(=O)[*:1] CCCN(CCC[NH3+])c1ccc(cn1)[*:1]
CCCN(CCC[NH3+])c1ccc(C(N)=O)cn1 CCC[*:1] NC(=O)c1ccc(nc1)N(CCC[NH3+])[*:1]
CCCN(CCC[NH3+])c1ccc(C(N)=O)cn1 [NH3+]CCC[*:1] CCCN(c1ccc(cn1)C(N)=O)[*:1]
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccoc2)CC1 c1cc(co1)C[*:1] O=C(c1ccc(F)cc1F)N1CCN(CC1)[*:1]
O=C(c1ccc(F)cc1F)N1CCN(Cc2ccoc2)CC1 c1cc(co1)[*:1] O=C(c1ccc(F)cc1F)N1CCN(CC1)C[*:1]
Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C)c3ccccc3)c12 c1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)N[C@H](C)c3ccccc3)c12)[*:1]
Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C)c3ccccc3)c12 C[C@H](c1ccccc1)[*:1] Cc1noc2nc(cc(C(=O)N[*:1])c12)-c1ccccc1
Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C)c3ccccc3)c12 c1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)N[C@H](C)[*:1])c12)-c1ccccc1
CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 CC(C)(C)C(=O)N[*:1] O=C(Nc1ccc(cn1)[*:1])c1ccccc1
CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 CC(C)(C)[*:1] O=C(Nc1ccc(cn1)NC(=O)[*:1])c1ccccc1
CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)Nc1ccc(nc1)NC(=O)[*:1]
CCn1nc(C)c(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1C Clc1cc(Cl)cc(c1)[*:1] CCn1nc(C)c(/C=C(/C#N)C(=O)N[*:1])c1C
CNC(=O)c1cccc(-c2ccc(C(=O)[O-])cc2O)c1 O=C([O-])[*:1] CNC(=O)c1cccc(c1)-c1ccc(cc1O)[*:1]
CNC(=O)c1cccc(-c2ccc(C(=O)[O-])cc2O)c1 CNC(=O)[*:1] O=C([O-])c1ccc(-c2cccc(c2)[*:1])c(O)c1
Cc1noc2nc(C(C)C)cc(C(=O)OCc3nc(C4CC4)cs3)c12 CC(C)[*:1] Cc1noc2nc(cc(C(=O)OCc3nc(cs3)C3CC3)c12)[*:1]
Cc1noc2nc(C(C)C)cc(C(=O)OCc3nc(C4CC4)cs3)c12 C1CC1[*:1] Cc1noc2nc(cc(C(=O)OCc3nc(cs3)[*:1])c12)C(C)C
Cc1noc2nc(C(C)C)cc(C(=O)OCc3nc(C4CC4)cs3)c12 c1sc(nc1C1CC1)[*:1] Cc1noc2nc(cc(C(=O)OC[*:1])c12)C(C)C
CN(C)C(=O)c1ccc(F)c(NC(=O)c2cc(-c3ccccc3)on2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)c1cc(on1)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)c2cc(-c3ccccc3)on2)c1 CN(C)C(=O)[*:1] O=C(Nc1cc(ccc1F)[*:1])c1cc(on1)-c1ccccc1
CCN(C)C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] CCN(C)C(=O)[C@H](C)[C@H](NC(=O)O[*:1])c1ccccc1
CCN(C)C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] CCN(C)C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)[*:1]
CCN(C)C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 CCN(C)C(=O)[*:1] C[C@H]([C@H](NC(=O)OC(C)(C)C)c1ccccc1)[*:1]
CN(CC[NH+](C)Cc1cc([O-])n2nccc2n1)c1ccccc1 c1ccc(cc1)[*:1] CN(CC[NH+](C)Cc1cc([O-])n2nccc2n1)[*:1]
CCO[C@@H]1CCCN(C(=O)c2nc(C(C)(C)C)n[nH]2)C1 CCO[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)N1CCC[C@H](C1)[*:1]
CCO[C@@H]1CCCN(C(=O)c2nc(C(C)(C)C)n[nH]2)C1 CC(C)(C)[*:1] CCO[C@@H]1CCCN(C1)C(=O)c1nc(n[nH]1)[*:1]
C#CCNC(=O)Cn1cnc2ccsc2c1=O C#CC[*:1] O=C(Cn1cnc2ccsc2c1=O)N[*:1]
CCN(CC#N)C(=O)C1(c2cccc(Cl)c2)CCC1 N#CC[*:1] CCN(C(=O)C1(CCC1)c1cccc(Cl)c1)[*:1]
Cc1csc([C@@H](C#N)C(=O)[C@H](C)SCc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)[C@H](C)S[*:1]
Cc1csc([C@@H](C#N)C(=O)[C@H](C)SCc2ccccc2)n1 Cc1csc(n1)[*:1] C[C@H](SCc1ccccc1)C(=O)[C@H](C#N)[*:1]
Cc1csc([C@@H](C#N)C(=O)[C@H](C)SCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)[C@H](C)SC[*:1]
CS(=O)(=O)NC1CCN(C(=O)C=C2CCCCC2)CC1 CS(=O)(=O)N[*:1] O=C(C=C1CCCCC1)N1CCC(CC1)[*:1]
CC(C)C[C@H](O)C1CCN(c2ccc3cccc(Cl)c3n2)CC1 CC(C)[*:1] O[C@@H](C[*:1])C1CCN(CC1)c1ccc2cccc(Cl)c2n1
CC(C)C[C@H](O)C1CCN(c2ccc3cccc(Cl)c3n2)CC1 CC(C)C[*:1] O[C@H](C1CCN(CC1)c1ccc2cccc(Cl)c2n1)[*:1]
CC(C)C[C@H](O)C1CCN(c2ccc3cccc(Cl)c3n2)CC1 CC(C)C[C@H](O)[*:1] Clc1cccc2ccc(nc12)N1CCC(CC1)[*:1]
CCOC(=O)Cc1csc(-n2nc(C)c(Cl)c2C)n1 CCOC(=O)C[*:1] Cc1nn(-c2nc(cs2)[*:1])c(C)c1Cl
CCOC(=O)Cc1csc(-n2nc(C)c(Cl)c2C)n1 CCOC(=O)[*:1] Cc1nn(-c2nc(cs2)C[*:1])c(C)c1Cl
CCCC[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CCO1 CCCC[*:1] CN1CCO[C@@H](CNC(=O)[C@@H]([NH3+])[*:1])C1
CCCC[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CCO1 CCC[*:1] CN1CCO[C@@H](CNC(=O)[C@@H]([NH3+])C[*:1])C1
COC(C)(C)CNC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 COC(C)(C)C[*:1] O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N[*:1]
COC(C)(C)CNC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 COC(C)(C)[*:1] O=C(NC[*:1])N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
O=S(=O)(/N=C(\[O-])COC1CCCCC1)c1ccc2c(c1)OCCCO2 C1CCC(CC1)[*:1] O=S(=O)(/N=C(\[O-])CO[*:1])c1ccc2OCCCOc2c1
O=S(=O)(/N=C(\[O-])COC1CCCCC1)c1ccc2c(c1)OCCCO2 C1CCC(CC1)O[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1ccc2OCCCOc2c1
O=S(=O)(/N=C(\[O-])COC1CCCCC1)c1ccc2c(c1)OCCCO2 C1CCC(CC1)OC[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1ccc2OCCCOc2c1
CC(C)[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)N1CCC[C@H]1[*:1])c1nc2ccccc2[nH]1
CC(C)[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(N[C@H](c1nc2ccccc2[nH]1)[*:1])N1CCC[C@@H]1c1ccccc1
CC(C)[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1)[*:1]
CCCC[C@H]1CCC[C@H]1NC(=O)N[C@@H]1C=C[C@H](CO)C1 CCC[*:1] O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H]1CCC[C@@H]1C[*:1]
CCCC[C@H]1CCC[C@H]1NC(=O)N[C@@H]1C=C[C@H](CO)C1 CCCC[*:1] O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H]1CCC[C@@H]1[*:1]
Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)[*:1]
CC(C)(O)[C@@]1(C)c2ccccc2CCN1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)(O)[C@@]1(C)c2ccccc2CCN1C[*:1]
CC(C)(O)[C@@]1(C)c2ccccc2CCN1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(O)[C@@]1(C)c2ccccc2CCN1[*:1]
CC(C)(O)[C@@]1(C)c2ccccc2CCN1Cc1ccccc1 CC(C)(O)[*:1] C[C@]1(c2ccccc2CCN1Cc1ccccc1)[*:1]
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCCC[NH+]1CCN(CC1)c1ccccc1)Nc1cccc(c1)[*:1]
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCN(CC1)[*:1])Nc1cccc(c1)C(F)(F)F
Cc1cccc2c(=O)[nH]c(/C(Cl)=C/c3ccc(Br)s3)nc12 Brc1ccc(s1)[*:1] Cc1cccc2c(=O)[nH]c(nc12)C(Cl)=C[*:1]
CCOC(=O)[C@H]1CCCN(Cc2cnc(C(C)(C)C)s2)C1 CCOC(=O)[*:1] CC(C)(C)c1ncc(CN2CCC[C@@H](C2)[*:1])s1
CCOC(=O)[C@H]1CCCN(Cc2cnc(C(C)(C)C)s2)C1 CC(C)(C)[*:1] CCOC(=O)[C@H]1CCCN(Cc2cnc(s2)[*:1])C1
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1Cl c1cc2OCOc2cc1[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)NC[*:1])c1ccccc1Cl
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1Cl Clc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc2OCOc2c1)[*:1]
COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3cnc4ccccc4n3)nc12 C1CN(CCO1)C[*:1] COc1ccc(C)c2sc(nc12)N(CC[*:1])C(=O)c1cnc2ccccc2n1
COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3cnc4ccccc4n3)nc12 C1CN(CCO1)CC[*:1] COc1ccc(C)c2sc(nc12)N(C[*:1])C(=O)c1cnc2ccccc2n1
COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3cnc4ccccc4n3)nc12 C(CN1CCOCC1)C[*:1] COc1ccc(C)c2sc(nc12)N(C(=O)c1cnc2ccccc2n1)[*:1]
COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3cnc4ccccc4n3)nc12 C1CN(CCO1)[*:1] COc1ccc(C)c2sc(nc12)N(CCC[*:1])C(=O)c1cnc2ccccc2n1
COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3cnc4ccccc4n3)nc12 c1ccc2nc(cnc2c1)[*:1] COc1ccc(C)c2sc(nc12)N(CCCN1CCOCC1)C(=O)[*:1]
CCOc1ccc(-c2noc(-c3nnn(-c4ccccc4)c3N)n2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1noc(n1)-c1nnn(c1N)[*:1]
CCOc1ccc(-c2noc(-c3nnn(-c4ccccc4)c3N)n2)cc1 CCO[*:1] Nc1c(nnn1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)[*:1]
CC[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)Cc1nc2cc(ccc2o1)[*:1]
Cc1ccc2cccc(Oc3ncnc(NN(c4ccccc4)c4ccccc4)c3N)c2n1 Cc1ccc2cccc(c2n1)[*:1] Nc1c(ncnc1O[*:1])NN(c1ccccc1)c1ccccc1
Cc1ccc2cccc(Oc3ncnc(NN(c4ccccc4)c4ccccc4)c3N)c2n1 c1ccc(cc1)[*:1] Cc1ccc2cccc(Oc3ncnc(NN(c4ccccc4)[*:1])c3N)c2n1
Cc1ccc([C@@H]2CC(c3ccccc3)=NN2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1CC(=NN1)[*:1]
O=C1N/C(=N/N=C/c2cccc([N+](=O)[O-])c2)S[C@@H]1Cc1cccc2ccccc12 O=[N+]([O-])c1cccc(c1)[*:1] O=C1N/C(=N/N=C[*:1])S[C@@H]1Cc1cccc2ccccc12
O=C1N/C(=N/N=C/c2cccc([N+](=O)[O-])c2)S[C@@H]1Cc1cccc2ccccc12 O=[N+]([O-])[*:1] O=C1N/C(=N/N=C/c2cccc(c2)[*:1])S[C@@H]1Cc1cccc2ccccc12
C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)C2=NC=CC2)C1=O Fc1ccc(F)c(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)C2CC=CN=2)C1=O)[*:1]
CC[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)[*:1]
CC[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)C(=O)N1CCOCC1 Fc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1c[nH]nc1[*:1])C(=O)N1CCOCC1
COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccnc(Cl)c2)c1 Clc1cc(ccn1)[*:1] COC(=O)c1ccc(OC(C)C)c(c1)NC(=O)[*:1]
COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccnc(Cl)c2)c1 CC(C)[*:1] COC(=O)c1ccc(O[*:1])c(c1)NC(=O)c1ccnc(Cl)c1
COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccnc(Cl)c2)c1 CC(C)O[*:1] COC(=O)c1ccc(c(c1)NC(=O)c1ccnc(Cl)c1)[*:1]
COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccnc(Cl)c2)c1 COC(=O)[*:1] CC(C)Oc1ccc(cc1NC(=O)c1ccnc(Cl)c1)[*:1]
O=C1CCCC2=C1[C@H](c1ccc(-c3cccc(Cl)c3)o1)c1c([nH]c(=O)[nH]c1=O)N2 Clc1cccc(c1)[*:1] O=C1CCCC2Nc3[nH]c(=O)[nH]c(=O)c3[C@H](C=21)c1ccc(o1)[*:1]
C[C@H](CO)[C@H](C)NC(=O)NCCc1nnc2n1CCCCC2 C[C@H](CO)[*:1] C[C@H](NC(=O)NCCc1nnc2CCCCCn21)[*:1]
NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)cc1 NC(=O)[*:1] O=S(=O)(N[C@H]1CCCC[C@H]1OC1CCCC1)c1ccc(cc1)[*:1]
NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)cc1 C1CCC(C1)[*:1] NC(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CCCC[C@H]1O[*:1]
NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)cc1 C1CCC(C1)O[*:1] NC(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CCCC[C@@H]1[*:1]
COc1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)c(OC)c1 Fc1ccc(cc1)[*:1] COc1ccc(Nc2cc(N)nc(n2)[*:1])c(c1)OC
Cc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)N[*:1] Cc1ccc(cc1)C(=O)[C@H](NC(=O)c1ccco1)[*:1]
Cc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)[C@H](NC(=O)c1ccco1)N[*:1]
Cc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N[C@@H](NC(=O)c1ccco1)C(=O)[*:1]
Cc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N[C@@H](NC(=O)[*:1])C(=O)c1ccc(C)cc1
Cc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)N[C@@H](C(=O)c1ccc(C)cc1)[*:1]
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(O)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CNc1cccc2ccccc12)N/N=C/c1cc(O)ccc1[*:1]
CC(C)c1cc(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)on1 CC(C)c1cc(on1)[*:1] CN(C[C@@H]1CCCN(C1)C(=O)[*:1])C(=O)OC(C)(C)C
CC(C)c1cc(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)on1 CC(C)(C)[*:1] CC(C)c1cc(on1)C(=O)N1CCC[C@@H](CN(C)C(=O)O[*:1])C1
CC(C)c1cc(C(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)on1 CC(C)[*:1] CN(C[C@@H]1CCCN(C1)C(=O)c1cc(no1)[*:1])C(=O)OC(C)(C)C
COc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1cccc(c1)-c1cc(ncn1)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)cc1Cl Cc1cccc(c1)[*:1] COc1ccc(cc1Cl)NC(=O)C1CCN(CC1)c1cc(ncn1)[*:1]
CCCNC(=O)CCNC(=O)NCc1nccc2ccccc12 CCC[*:1] O=C(CCNC(=O)NCc1nccc2ccccc12)N[*:1]
CCCNC(=O)CCNC(=O)NCc1nccc2ccccc12 CCCNC(=O)[*:1] O=C(NCC[*:1])NCc1nccc2ccccc12
CCCNC(=O)CCNC(=O)NCc1nccc2ccccc12 CCCNC(=O)C[*:1] O=C(NCc1nccc2ccccc12)NC[*:1]
O=C(Nc1ccc2c(c1)COC2)N1CC[C@H](Oc2ccccc2Cl)C1 Clc1ccccc1O[*:1] O=C(Nc1ccc2COCc2c1)N1CC[C@H](C1)[*:1]
O=C(Nc1ccc2c(c1)COC2)N1CC[C@H](Oc2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(Nc1ccc2COCc2c1)N1CC[C@@H](C1)O[*:1]
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c1 C=C(C)[*:1] O=C(Nc1cccc(c1)OC[*:1])C(=O)N[C@H]1CCCC[C@@H]1CO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c1 C=C(C)C[*:1] O=C(Nc1cccc(c1)O[*:1])C(=O)N[C@H]1CCCC[C@@H]1CO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c1 C=C(C)CO[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N[C@H]1CCCC[C@@H]1CO
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C(=O)OC)o1)n2CC CCCC[*:1] CCn1c(nc2c1c(=O)[nH]c(=O)n2[*:1])-c1ccc(o1)C(=O)OC
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C(=O)OC)o1)n2CC COC(=O)[*:1] CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(o1)[*:1])n2CC
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C(=O)OC)o1)n2CC CCC[*:1] CCn1c(nc2c1c(=O)[nH]c(=O)n2C[*:1])-c1ccc(o1)C(=O)OC
CC[C@H](NC(=O)Cn1ccnc1)c1ccc(F)cc1F c1cn(cn1)[*:1] CC[C@H](NC(=O)C[*:1])c1ccc(F)cc1F
CC[C@H](NC(=O)Cn1ccnc1)c1ccc(F)cc1F c1cn(cn1)C[*:1] CC[C@H](NC(=O)[*:1])c1ccc(F)cc1F
CCN(CCOC)S(=O)(=O)c1cc(C)cc(N)c1C COCC[*:1] CCN(S(=O)(=O)c1cc(C)cc(N)c1C)[*:1]
CCN(CCOC)S(=O)(=O)c1cc(C)cc(N)c1C COC[*:1] CCN(C[*:1])S(=O)(=O)c1cc(C)cc(N)c1C
Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NCc1ccccc1C[NH+]1CCCC1)[*:1]
NC(=O)c1ccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)N1CCC(CC1)[*:1]
NC(=O)c1ccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC(CC1)c1ccc(F)cc1
CNc1nc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cs1 CC(C)NC(=O)[*:1] CNc1nc(cs1)CNc1ccc(cc1[N+](=O)[O-])[*:1]
CNc1nc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cs1 CNc1nc(cs1)[*:1] CC(C)NC(=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
CNc1nc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cs1 O=[N+]([O-])[*:1] CNc1nc(cs1)CNc1ccc(cc1[*:1])C(=O)NC(C)C
CNc1nc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cs1 CNc1nc(cs1)C[*:1] CC(C)NC(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
CNc1nc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cs1 CC(C)[*:1] CNc1nc(cs1)CNc1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
CC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 C1CC1[*:1] CC(=O)N1CC[C@H](C1)[NH2+][*:1]
CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccnc(C)c2)cc1 Cc1cc(ccn1)[*:1] CC(=O)Nc1ccc(cc1)S[C@@H](C)C(=O)N[*:1]
CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccnc(C)c2)cc1 CC(=O)N[*:1] Cc1cc(ccn1)NC(=O)[C@H](C)Sc1ccc(cc1)[*:1]
C[S@@](=O)c1ccc(C(=O)Nc2ccc(COC(C)(C)C)cc2)cc1 CC(C)(C)OC[*:1] C[S@@](=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
C[S@@](=O)c1ccc(C(=O)Nc2ccc(COC(C)(C)C)cc2)cc1 CC(C)(C)O[*:1] C[S@@](=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C[*:1]
C[S@@](=O)c1ccc(C(=O)Nc2ccc(COC(C)(C)C)cc2)cc1 CC(C)(C)[*:1] C[S@@](=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)CO[*:1]
COC(=O)[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)C(C)C COC(=O)[*:1] Cc1cc(ncc1[N+](=O)[O-])N[C@H](C(C)C)[*:1]
COC(=O)[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)C(C)C CC(C)[*:1] COC(=O)[C@H](Nc1cc(C)c(cn1)[N+](=O)[O-])[*:1]
COC(=O)[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)C(C)C O=[N+]([O-])[*:1] COC(=O)[C@H](Nc1cc(C)c(cn1)[*:1])C(C)C
CCOC(=O)CC[NH2+][C@H](C)c1c(C)noc1C CCOC(=O)[*:1] Cc1noc(C)c1[C@@H](C)[NH2+]CC[*:1]
CCOc1c(Br)cc(C(=O)OCN2C(=O)c3ccccc3C2=O)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])C(=O)OCN1C(=O)c2ccccc2C1=O
COc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(F)cc2)cc1OC COc1ccc(cc1OC)C[*:1] Cc1ccc2[nH]c(C(=O)N[*:1])c(NC(=O)c3ccc(F)cc3)c2c1
COc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(F)cc2)cc1OC O=C(N[*:1])c1ccc(F)cc1 COc1ccc(cc1OC)CNC(=O)c1[nH]c2ccc(C)cc2c1[*:1]
COc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(F)cc2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc2[nH]c(C(=O)NC[*:1])c(NC(=O)c3ccc(F)cc3)c2c1
COc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)CNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CS(=O)(=O)Cc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)CS(=O)(=O)C[*:1]
COc1ccc(C(=O)/N=C2\S[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(OC)c(OC)c2)cc1 COc1ccc(cc1OC)[*:1] COc1ccc(cc1)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1C[*:1]
COc1ccc(C(=O)/N=C2\S[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(OC)c(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)CN1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
C[C@@H](c1ccc(F)cc1)N(C)C(=O)COc1cccc(-n2ccnc2)c1 Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)COc1cccc(c1)-n1ccnc1)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)COc1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)COc1cccc(c1)[*:1]
CN1CCO[C@H](C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])C1 O=C([O-])[*:1] CN1CCO[C@H](C[C@@H](NC(=O)OC(C)(C)C)[*:1])C1
CN1CCO[C@H](C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])C1 CC(C)(C)[*:1] CN1CCO[C@H](C[C@@H](NC(=O)O[*:1])C(=O)[O-])C1
Cc1n[nH]c(-c2ccc(C(=O)NCC(=O)N3CCCC3)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(NCC(=O)N1CCCC1)c1ccc(cc1)[*:1]
Cc1n[nH]c(-c2ccc(C(=O)NCC(=O)N3CCCC3)cc2)n1 O=C(N1CCCC1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)NC[*:1]
COc1ccc(OC)c(-c2c(-c3ccccc3)ncn2[C@H]2CCN(C)C2=O)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)-c1c(ncn1[C@H]1CCN(C)C1=O)[*:1]
O=C(COc1ccccc1)OCc1cn(-c2ccc(Cl)cc2)nn1 c1ccc(cc1)[*:1] O=C(CO[*:1])OCc1cn(nn1)-c1ccc(Cl)cc1
O=C(COc1ccccc1)OCc1cn(-c2ccc(Cl)cc2)nn1 Clc1ccc(cc1)[*:1] O=C(COc1ccccc1)OCc1cn(nn1)[*:1]
O=C(COc1ccccc1)OCc1cn(-c2ccc(Cl)cc2)nn1 c1ccc(cc1)OC[*:1] O=C(OCc1cn(nn1)-c1ccc(Cl)cc1)[*:1]
O=C(COc1ccccc1)OCc1cn(-c2ccc(Cl)cc2)nn1 c1ccc(cc1)O[*:1] O=C(C[*:1])OCc1cn(nn1)-c1ccc(Cl)cc1
O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc2ccccc2c1 C1CCC(C1)[*:1] O=C(CN1C(=O)C(=O)N(C1=O)[*:1])c1ccc2ccccc2c1
CCOc1c(Br)cc(C[NH2+][C@@H](C)Cn2ccnc2)cc1Br c1cn(cn1)C[*:1] CCOc1c(Br)cc(cc1Br)C[NH2+][C@@H](C)[*:1]
CCOc1c(Br)cc(C[NH2+][C@@H](C)Cn2ccnc2)cc1Br CCO[*:1] C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(Br)c(c(Br)c1)[*:1]
CCOc1c(Br)cc(C[NH2+][C@@H](C)Cn2ccnc2)cc1Br c1cn(cn1)[*:1] CCOc1c(Br)cc(cc1Br)C[NH2+][C@@H](C)C[*:1]
CCOc1ccc(OCC(=O)N2CCC(Cn3cc[nH+]c3C)CC2)cc1 CCO[*:1] Cc1[nH+]ccn1CC1CCN(CC1)C(=O)COc1ccc(cc1)[*:1]
COCCCNC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1Cl COCC[*:1] Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NC[*:1]
COCCCNC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1Cl COCCC[*:1] Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N[*:1]
COCCCNC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1Cl c1ccc(cc1)[*:1] COCCCNC(=O)/C=C/c1c(C)nn(c1Cl)[*:1]
COCCCNC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1Cl COC[*:1] Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NCC[*:1]
CC(=O)Nc1ccc(OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 CC(=O)N[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(cc1)[*:1]
O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])[C@@H]1CC(=O)N(C1)c1cccc2ccccc12
O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(Br)cc1 O=C(c1ccc(Br)cc1)[*:1] O=C(OC[*:1])[C@@H]1CC(=O)N(C1)c1cccc2ccccc12
C[NH2+][C@H](CC1CCCC1)[C@H]1CN(C)CCO1 C1CCC(C1)[*:1] C[NH2+][C@H](C[*:1])[C@H]1CN(C)CCO1
S=C(Nc1ccccc1Cc1ccccc1)NC1CC1 c1ccc(cc1)[*:1] S=C(Nc1ccccc1C[*:1])NC1CC1
S=C(Nc1ccccc1Cc1ccccc1)NC1CC1 C1CC1[*:1] S=C(Nc1ccccc1Cc1ccccc1)N[*:1]
Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 Clc1cccc(c1)[*:1] Cc1n[nH]cc1C(=O)N1CCC[C@@H](C1)c1cccc(n1)[*:1]
O=C(NCC(c1ccccc1)c1ccccc1)c1cc([O-])n2ncnc2n1 c1ccc(cc1)[*:1] O=C(NCC(c1ccccc1)[*:1])c1cc([O-])n2ncnc2n1
COc1ccc(CCC(=O)Nc2ccc(OC(F)F)cc2)cc1 FC(F)[*:1] COc1ccc(cc1)CCC(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(CCC(=O)Nc2ccc(OC(F)F)cc2)cc1 FC(F)O[*:1] COc1ccc(cc1)CCC(=O)Nc1ccc(cc1)[*:1]
Cc1c(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cnn1C(C)C C1CN(CCO1)C[*:1] Cc1c(cnn1C(C)C)C(=O)N1CCC[C@H](C1)[*:1]
Cc1c(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cnn1C(C)C C1CN(CCO1)[*:1] Cc1c(cnn1C(C)C)C(=O)N1CCC[C@@H](C1)C[*:1]
Cc1c(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC[C@H](CN2CCOCC2)C1
O=C(NCC1CCC1)c1ncn[nH]1 C1CC(C1)[*:1] O=C(NC[*:1])c1ncn[nH]1
CCC[C@H]1C[C@](O)([C@]2(C#N)CC[C@H](CC)C2)CCO1 CCC[*:1] CC[C@H]1CC[C@](C#N)(C1)[C@]1(O)CCO[C@H](C1)[*:1]
COC(=O)c1cccnc1N1CCCN(c2cc[nH+]c(C)c2)CC1 COC(=O)[*:1] Cc1cc(cc[nH+]1)N1CCCN(CC1)c1ncccc1[*:1]
COc1ccc2[nH]c(=O)c([C@H]3CC(O)=Nc4c3c(=O)[nH]n4C(C)C)cc2c1 CC(C)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)[C@H]1CC(O)=Nc2c1c(=O)[nH]n2[*:1]
COc1ccc([C@@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C1CSc2sc3c(=O)n(cnc3c2N1)C[C@@H]([NH+]1CCCC1)[*:1]
C[C@@H](Cc1ccsc1)NC(=O)c1ccc(C(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H](Cc1ccsc1)NC(=O)c1ccc(cc1)C(=O)N[*:1]
C[C@@H](Cc1ccsc1)NC(=O)c1ccc(C(=O)NC2CC2)cc1 c1cc(cs1)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(cc1)C(=O)NC1CC1
C[C@@H](Cc1ccsc1)NC(=O)c1ccc(C(=O)NC2CC2)cc1 c1cc(cs1)C[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(=O)NC1CC1)[*:1]
C[C@@H](Cc1ccsc1)NC(=O)c1ccc(C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] C[C@@H](Cc1ccsc1)NC(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccnn1C CCOC(=O)[*:1] Cn1nccc1C(=O)Nc1c(oc2ccccc12)[*:1]
CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccnn1C Cn1nccc1[*:1] CCOC(=O)c1oc2ccccc2c1NC(=O)[*:1]
COc1ccccc1COC1CCN(c2nccc(C)n2)CC1 Cc1ccnc(n1)[*:1] COc1ccccc1COC1CCN(CC1)[*:1]
N#Cc1ccccc1NC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 N#Cc1ccccc1[*:1] O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)N[*:1]
N#Cc1ccccc1NC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 c1csc(c1)[*:1] N#Cc1ccccc1NC(=O)COC(=O)[C@@H]1CCCN1C(=O)[*:1]
C[C@H](Oc1cccc(F)c1)C(=O)N1CCOC[C@@H]1C1CC1 Fc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N1CCOC[C@@H]1C1CC1
C[C@H](Oc1cccc(F)c1)C(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] C[C@H](Oc1cccc(F)c1)C(=O)N1CCOC[C@H]1[*:1]
CC(C)[C@H]1CO[C@H](c2ccccc2)C[NH2+]1 CC(C)[*:1] c1ccc(cc1)[C@@H]1C[NH2+][C@H](CO1)[*:1]
CC(C)CCc1noc(C[S@](=O)Cc2ccccc2Cl)n1 CC(C)CC[*:1] O=[S@@](Cc1nc(no1)[*:1])Cc1ccccc1Cl
CC(C)CCc1noc(C[S@](=O)Cc2ccccc2Cl)n1 CC(C)[*:1] O=[S@@](Cc1nc(CC[*:1])no1)Cc1ccccc1Cl
CC(C)CCc1noc(C[S@](=O)Cc2ccccc2Cl)n1 CC(C)C[*:1] O=[S@@](Cc1nc(C[*:1])no1)Cc1ccccc1Cl
CC(C)CCc1noc(C[S@](=O)Cc2ccccc2Cl)n1 Clc1ccccc1[*:1] CC(C)CCc1noc(C[S@](=O)C[*:1])n1
CCc1nnc(-c2cc(NC(=O)C3CCN(C(C)=O)CC3)c(C)s2)o1 CCc1nnc(o1)[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1cc(sc1C)[*:1]
Cc1ccccc1[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H]([NH2+][C@@H]1CC(=O)N(C1)C1CC1)[*:1]
Cc1ccccc1[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)C(C)C C1CC1[*:1] Cc1ccccc1[C@@H]([NH2+][C@@H]1CC(=O)N(C1)[*:1])C(C)C
Cc1ccccc1[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H]([NH2+][C@@H]1CC(=O)N(C1)C1CC1)[*:1]
CC(C)C[C@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)N1CCc2ccccc2C1 CC(C)C[*:1] O=C1COc2ncc(cc2N1)C(=O)N[C@H](C(=O)N1CCc2ccccc2C1)[*:1]
CC(C)C[C@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)C(=O)N1CCc2ccccc2C1 CC(C)[*:1] O=C1COc2ncc(cc2N1)C(=O)N[C@@H](C[*:1])C(=O)N1CCc2ccccc2C1
CCCC[C@@H](CC)C(=O)Nc1nc(C)cc(C)n1 CCC[*:1] CC[C@H](C[*:1])C(=O)Nc1nc(C)cc(C)n1
CCCC[C@@H](CC)C(=O)Nc1nc(C)cc(C)n1 CCCC[*:1] CC[C@@H](C(=O)Nc1nc(C)cc(C)n1)[*:1]
CCc1cc(CNC(=O)c2sc(Cc3ccccc3)nc2C)on1 c1ccc(cc1)C[*:1] CCc1cc(CNC(=O)c2sc(nc2C)[*:1])on1
CCc1cc(CNC(=O)c2sc(Cc3ccccc3)nc2C)on1 CCc1cc(on1)[*:1] Cc1nc(Cc2ccccc2)sc1C(=O)NC[*:1]
CCc1cc(CNC(=O)c2sc(Cc3ccccc3)nc2C)on1 CCc1cc(C[*:1])on1 Cc1nc(Cc2ccccc2)sc1C(=O)N[*:1]
CCc1cc(CNC(=O)c2sc(Cc3ccccc3)nc2C)on1 c1ccc(cc1)[*:1] CCc1cc(CNC(=O)c2sc(C[*:1])nc2C)on1
COC1CCC(CC(=O)Nc2c(SC)cnn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] COC1CCC(CC1)CC(=O)Nc1c(cnn1[*:1])SC
COC1CCC(CC(=O)Nc2c(SC)cnn2-c2ccccc2)CC1 COC1CCC(CC1)[*:1] CSc1cnn(-c2ccccc2)c1NC(=O)C[*:1]
CCC[NH2+]Cc1cncn1C[C@@]1(C)CCCO1 CCC[*:1] C[C@@]1(CCCO1)Cn1cncc1C[NH2+][*:1]
Cc1ccc(NC(=O)COC(=O)CSc2ccc3ccccc3c2)cc1 Cc1ccc(cc1)[*:1] O=C(COC(=O)CSc1ccc2ccccc2c1)N[*:1]
Cc1cccc(NC(=S)NNC(=O)c2cnc(-c3cnn(C)c3)s2)c1C Cn1cc(cn1)[*:1] Cc1cccc(NC(=S)NNC(=O)c2cnc(s2)[*:1])c1C
Cc1cccc(NC(=S)NNC(=O)c2cnc(-c3cnn(C)c3)s2)c1C Cc1cccc(c1C)[*:1] Cn1cc(cn1)-c1ncc(s1)C(=O)NNC(=S)N[*:1]
CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)CC[C@H]2C)c1 CCN(CC)S(=O)(=O)[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(c1)[*:1]
NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2I)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1I
C[C@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)NCC(C)(C)[*:1]
CCOC(=O)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCOC(=O)C(=O)N1CCc2cc(OC)c(cc2[C@H]1[*:1])OC
COc1cc(C)c(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1OC c1ccc(cc1)C[*:1] COc1cc(C)c(cc1OC)C(=O)N1CCC[C@@H]1[*:1]
COc1cc(C)c(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1cc(C)c(cc1OC)C(=O)N1CCC[C@H]1C[*:1]
CCOc1ccc(NC(=O)[C@H](C)n2c(N)nnc2SC)cc1 CCO[*:1] CSc1nnc(N)n1[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H]([NH2+][C@H](C)c1ccc(F)cn1)c1ccc2c(c1)OCO2 Fc1ccc(nc1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1ccc2OCOc2c1
O=C1NCCN1[C@@H]1CCCN(c2cncc(Cl)n2)C1 O=C1NCCN1[*:1] Clc1cncc(n1)N1CCC[C@H](C1)[*:1]
Cc1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1C c1cncc(c1)[*:1] Cc1ccc(cc1C)C(=O)NCCNC(=O)[*:1]
COC(=O)C1=C(C)N=C2SCCCN2[C@H]1c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COC(=O)C1=C(C)N=C2SCCCN2[C@H]1c1ccc(cc1)NS(=O)(=O)[*:1]
COC(=O)C1=C(C)N=C2SCCCN2[C@H]1c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 COC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[C@H]1C(=C(C)N=C2SCCCN21)[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)N1CCn2cnnc2C1 O=C([O-])[*:1] C[C@H]1[C@@H](CCN1C(=O)N1CCn2cnnc2C1)[*:1]
Cc1csc(NC(=O)c2ccn(COc3ccc(Cl)cc3)n2)n1 Cc1csc(n1)[*:1] O=C(N[*:1])c1ccn(COc2ccc(Cl)cc2)n1
Cc1csc(NC(=O)c2ccn(COc3ccc(Cl)cc3)n2)n1 Clc1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)c1ccn(CO[*:1])n1
CC(C)NC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O CC(C)[*:1] O=C(C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O)N[*:1]
CC(C)NC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O CC(C)NC(=O)[*:1] O[C@@H]1[C@@H](C[NH2+]Cc2ccccn2)O[C@@H](C[*:1])[C@@H]1O
CC(C)NC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O c1ccc(C[*:1])nc1 CC(C)NC(=O)C[C@@H]1O[C@H](C[NH2+][*:1])[C@@H](O)[C@H]1O
CC(C)NC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O c1ccc(nc1)[*:1] CC(C)NC(=O)C[C@@H]1O[C@H](C[NH2+]C[*:1])[C@@H](O)[C@H]1O
CC(C)NC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O CC(C)NC(=O)C[*:1] O[C@@H]1[C@@H](C[NH2+]Cc2ccccn2)O[C@H]([C@@H]1O)[*:1]
CCOC(=O)C1=C(C)C(C(=O)N(C)C[C@@H]2COc3ccccc3O2)=N[C@H]1C CCOC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)N(C)C[C@@H]1COc2ccccc2O1
CCOC(=O)CNC(=O)c1ccccc1O CCOC(=O)[*:1] O=C(NC[*:1])c1ccccc1O
C[C@H]1CN(C(=O)c2ncccc2OCC(F)(F)F)C[C@@H](C)S1 FC(F)(F)C[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)c1ncccc1O[*:1]
C[C@H]1CN(C(=O)c2ncccc2OCC(F)(F)F)C[C@@H](C)S1 FC(F)(F)[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)c1ncccc1OC[*:1]
C[C@H]1CN(C(=O)c2ncccc2OCC(F)(F)F)C[C@@H](C)S1 FC(F)(F)CO[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)c1ncccc1[*:1]
CC[C@@H](COC)NC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 COC[*:1] CC[C@@H](NC(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1C)[*:1]
CC[C@@H](COC)NC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 CC[C@@H](COC)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[*:1]
CC[C@@H](COC)NC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 C[C@H]1C[C@H]1[*:1] CC[C@@H](COC)NC(=O)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccc2nnnn2c1)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1ccc2nnnn2c1)N1CCCC[C@@H]1C[*:1]
O=C(c1ccc2nnnn2c1)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc2nnnn2c1)N1CCCC[C@@H]1CC[*:1]
O=C(c1ccc2nnnn2c1)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(c1ccc2nnnn2c1)N1CCCC[C@H]1[*:1]
O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(Cc2ccccc2Cl)CO1 Clc1ccccc1[*:1] O=C1/C(=C/c2cccs2)Oc2c1ccc1OCN(Cc12)C[*:1]
O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(Cc2ccccc2Cl)CO1 Clc1ccccc1C[*:1] O=C1/C(=C/c2cccs2)Oc2c1ccc1OCN(Cc12)[*:1]
O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(Cc2ccccc2Cl)CO1 c1csc(c1)[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(Cc3ccccc3Cl)Cc12
O=C1c2ccccc2C(=O)N1c1nc(-c2ccc(Cl)cc2)cs1 Clc1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1c1nc(cs1)[*:1]
Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(-c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1c(nc(N)c(C#N)c1-c1ccc(cc1)[*:1])-c1cnn(C)c1
Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(-c2ccccn2)cc1 Cn1cc(cn1)[*:1] Cc1c(nc(N)c(C#N)c1-c1ccc(cc1)-c1ccccn1)[*:1]
Cc1csc(Cn2ccc([C@@H](O)C(C)C)c2)n1 CC(C)[C@H](O)[*:1] Cc1csc(Cn2ccc(c2)[*:1])n1
Cc1csc(Cn2ccc([C@@H](O)C(C)C)c2)n1 CC(C)[*:1] Cc1csc(Cn2ccc(c2)[C@@H](O)[*:1])n1
C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 c1csc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C
C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 c1csc(c1)C[*:1] C[NH+](C)CCN(C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
CSCCCNc1ncnc(OC(C)C)c1N CSCCC[*:1] CC(C)Oc1ncnc(N[*:1])c1N
CSCCCNc1ncnc(OC(C)C)c1N CSCC[*:1] CC(C)Oc1ncnc(NC[*:1])c1N
CSCCCNc1ncnc(OC(C)C)c1N CSC[*:1] CC(C)Oc1ncnc(NCC[*:1])c1N
CSCCCNc1ncnc(OC(C)C)c1N CC(C)O[*:1] CSCCCNc1ncnc(c1N)[*:1]
CSCCCNc1ncnc(OC(C)C)c1N CC(C)[*:1] CSCCCNc1ncnc(O[*:1])c1N
Cc1ccccc1[C@H](C)[NH2+][C@H](CO)C(C)C CC(C)[*:1] Cc1ccccc1[C@H](C)[NH2+][C@H](CO)[*:1]
COc1ccc(CC(=O)N2CCC[C@H]2c2c(C)noc2C)cc1OC Cc1noc(C)c1[*:1] COc1ccc(cc1OC)CC(=O)N1CCC[C@@H]1[*:1]
CC(C)Oc1ncccc1CNC(=O)Cn1ccc2ccccc21 CC(C)O[*:1] O=C(Cn1ccc2ccccc21)NCc1cccnc1[*:1]
CC(C)Oc1ncccc1CNC(=O)Cn1ccc2ccccc21 CC(C)[*:1] O=C(Cn1ccc2ccccc21)NCc1cccnc1O[*:1]
O=C(OCC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl C1CCC(CC1)C[*:1] O=C(O[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1
O=C(OCC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl O=S(=O)(N1CCOCC1)[*:1] O=C(OCC1CCCCC1)c1cc(c(Cl)cc1Cl)[*:1]
O=C(OCC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl C1CCC(CC1)[*:1] O=C(OC[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1
O=C(COc1ccc(-n2cnnn2)cc1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(COc1ccc(cc1)-n1cnnn1)N1CCN(CC1)[*:1]
O=C(COc1ccc(-n2cnnn2)cc1)N1CCN(c2ccccc2F)CC1 c1nnnn1[*:1] O=C(COc1ccc(cc1)[*:1])N1CCN(CC1)c1ccccc1F
COC[C@](C)(NC(=O)Nc1ccccc1CC(N)=O)c1ccccc1 COC[*:1] C[C@](NC(=O)Nc1ccccc1CC(N)=O)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)Nc1ccccc1CC(N)=O)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)Nc1ccccc1CC(N)=O)[*:1]
COC[C@](C)(NC(=O)Nc1ccccc1CC(N)=O)c1ccccc1 NC(=O)C[*:1] COC[C@](C)(NC(=O)Nc1ccccc1[*:1])c1ccccc1
COC[C@](C)(NC(=O)Nc1ccccc1CC(N)=O)c1ccccc1 NC(=O)[*:1] COC[C@](C)(NC(=O)Nc1ccccc1C[*:1])c1ccccc1
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)c1ccc(Br)cc1)C2 Brc1ccc(cc1)[*:1] CC(C)(C)n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)c1ccc(Br)cc1)C2 c1ccn(c1)[*:1] CC(C)(C)n1nc2CN(Cc2c1[*:1])C(=O)c1ccc(Br)cc1
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)c1ccc(Br)cc1)C2 CC(C)(C)[*:1] O=C(c1ccc(Br)cc1)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
COCc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)no1 COC[*:1] C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(on2)[*:1])C2CC2)o1
COCc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)no1 C1CC1[*:1] COCc1cc(no1)C(=O)N(Cc1ccc(o1)[C@@H]1C[C@H]1C)[*:1]
COCc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)no1 COCc1cc(no1)[*:1] C[C@@H]1C[C@H]1c1ccc(CN(C(=O)[*:1])C2CC2)o1
Cc1occc1-c1nnc(Sc2ccc3nnc(C(F)F)n3n2)o1 FC(F)[*:1] Cc1occc1-c1nnc(o1)Sc1ccc2nnc(n2n1)[*:1]
Cc1occc1-c1nnc(Sc2ccc3nnc(C(F)F)n3n2)o1 Cc1occc1[*:1] FC(F)c1nnc2ccc(nn12)Sc1nnc(o1)[*:1]
CSCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 CSC[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
CSCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 CSCC(=O)NC[*:1] O=C(N1CCN(CC1)c1ccc(Cl)cc1)[*:1]
CSCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 CSCC(=O)N[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(Cl)cc1
CSCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CSCC(=O)NCC(=O)N1CCN(CC1)[*:1]
CC(C)(C)[C@H](CCC(=O)[O-])CCN1CCOCC1 O=C([O-])C[*:1] CC(C)(C)[C@@H](CCN1CCOCC1)C[*:1]
CC(C)(C)[C@H](CCC(=O)[O-])CCN1CCOCC1 CC(C)(C)[*:1] O=C([O-])CC[C@H](CCN1CCOCC1)[*:1]
CC(C)(C)[C@H](CCC(=O)[O-])CCN1CCOCC1 C1CN(CCO1)[*:1] CC(C)(C)[C@H](CCC(=O)[O-])CC[*:1]
CC(C)(C)[C@H](CCC(=O)[O-])CCN1CCOCC1 O=C([O-])[*:1] CC(C)(C)[C@@H](CCN1CCOCC1)CC[*:1]
CC(C)(C)[C@H](CCC(=O)[O-])CCN1CCOCC1 O=C([O-])CC[*:1] CC(C)(C)[C@H](CCN1CCOCC1)[*:1]
CN(CCCOc1ccc(F)cc1)C(=O)c1ccc([O-])nn1 Fc1ccc(cc1)[*:1] CN(CCCO[*:1])C(=O)c1ccc([O-])nn1
Cc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1Cl O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1Cl)NC(=O)N1CCC(CC1)c1nnc(s1)[*:1]
Cc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(Nc1ccccc1)c1nnc(s1)C1CCN(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)N1CCC(CC1)c1nnc(s1)C(=O)N[*:1]
CSc1ccc(CNc2ccc(N3CCCC3=O)cc2)cc1 O=C1CCCN1[*:1] CSc1ccc(cc1)CNc1ccc(cc1)[*:1]
CCOc1cc(N2CCC[C@@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] c1coc(c1)C[*:1] CCOc1cc(ccc1[N+](=O)[O-])N1CCC[C@@H]1C(=O)N[*:1]
CCOc1cc(N2CCC[C@@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1cc(ccc1[*:1])N1CCC[C@@H]1C(=O)NCc1ccco1
CCOc1cc(N2CCC[C@@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] CCO[*:1] O=C(NCc1ccco1)[C@H]1CCCN1c1ccc(c(c1)[*:1])[N+](=O)[O-]
CCOc1cc(N2CCC[C@@H]2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] c1coc(c1)[*:1] CCOc1cc(ccc1[N+](=O)[O-])N1CCC[C@@H]1C(=O)NC[*:1]
O=C(N[C@H]1CC(=O)N(C2CCCCCC2)C1)c1cnn2cc(CCO)cnc12 OCC[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CCCCCC1)c1cnn2cc(cnc12)[*:1]
O=C(N[C@H]1CC(=O)N(C2CCCCCC2)C1)c1cnn2cc(CCO)cnc12 C1CCCC(CC1)[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])c1cnn2cc(cnc12)CCO
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=N)O)c2)cc1F N=C(O)[*:1] Cc1ccc(cc1F)S(=O)(=O)[N-]c1cccc(c1)[*:1]
CC(C)(C)n1cc(NCc2ccccc2C(F)(F)F)cn1 FC(F)(F)[*:1] CC(C)(C)n1cc(cn1)NCc1ccccc1[*:1]
CC(C)(C)n1cc(NCc2ccccc2C(F)(F)F)cn1 CC(C)(C)[*:1] FC(F)(F)c1ccccc1CNc1cnn(c1)[*:1]
CCN(CC(=O)NCc1cccs1)C(=O)c1oc2ccc(F)cc2c1C c1csc(c1)C[*:1] CCN(CC(=O)N[*:1])C(=O)c1oc2ccc(F)cc2c1C
CCN(CC(=O)NCc1cccs1)C(=O)c1oc2ccc(F)cc2c1C c1csc(c1)[*:1] CCN(CC(=O)NC[*:1])C(=O)c1oc2ccc(F)cc2c1C
COc1ccc2c(c1)=[NH+][C@H](C(=O)N1CCC(CC(=O)NCc3ccc(C)cc3)CC1)C=2 Cc1ccc(cc1)C[*:1] COc1ccc2=C[C@H]([NH+]=c2c1)C(=O)N1CCC(CC1)CC(=O)N[*:1]
COc1ccc2c(c1)=[NH+][C@H](C(=O)N1CCC(CC(=O)NCc3ccc(C)cc3)CC1)C=2 Cc1ccc(cc1)[*:1] COc1ccc2=C[C@H]([NH+]=c2c1)C(=O)N1CCC(CC1)CC(=O)NC[*:1]
O=C(Nc1cccc(NC(=O)c2ccncc2)c1)C(=O)N[C@H]1CC=CCC1 O=C(N[*:1])c1ccncc1 O=C(Nc1cccc(c1)[*:1])C(=O)N[C@H]1CC=CCC1
O=C(Nc1cccc(NC(=O)c2ccncc2)c1)C(=O)N[C@H]1CC=CCC1 c1cc(ccn1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])C(=O)N[C@H]1CC=CCC1
Cc1c(Br)cccc1CSCC(=O)NC1CC1 C1CC1[*:1] Cc1c(Br)cccc1CSCC(=O)N[*:1]
Cc1cccc([C@H](O)C[NH2+][C@H](c2ccccn2)C2CCCC2)c1 Cc1cccc(c1)[*:1] O[C@H](C[NH2+][C@H](c1ccccn1)C1CCCC1)[*:1]
Cc1cccc([C@H](O)C[NH2+][C@H](c2ccccn2)C2CCCC2)c1 C1CCC(C1)[*:1] Cc1cccc(c1)[C@H](O)C[NH2+][C@H](c1ccccn1)[*:1]
Cc1cccc([C@H](O)C[NH2+][C@H](c2ccccn2)C2CCCC2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)[C@H](O)C[NH2+][C@H](C1CCCC1)[*:1]
CCN(Cc1ccccc1)C(=O)c1ccc2cc[nH]c2n1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)c1ccc2cc[nH]c2n1
CCN(Cc1ccccc1)C(=O)c1ccc2cc[nH]c2n1 c1ccc(cc1)C[*:1] CCN(C(=O)c1ccc2cc[nH]c2n1)[*:1]
CC(C)(C)c1ccc(NC(=O)NCCC(=O)N2CCCC2)cc1 CC(C)(C)[*:1] O=C(NCCC(=O)N1CCCC1)Nc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(NC(=O)NCCC(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)NCC[*:1]
Cc1ccc(-c2csc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc34)n2)s1 O=[N+]([O-])[*:1] Cc1ccc(s1)-c1csc(n1)NC(=O)c1cc(=O)[nH]c2ccc(cc12)[*:1]
Cc1ccc(-c2csc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc34)n2)s1 Cc1ccc(s1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cc(=O)[nH]c2ccc(cc12)[N+](=O)[O-]
CC[C@@H](C)NC(=O)c1scnc1C CC[C@@H](C)[*:1] Cc1ncsc1C(=O)N[*:1]
NC1=Nc2nc3cc4c(cc3n2[C@H](c2cccs2)N1)OCCCO4 c1csc(c1)[*:1] NC1=Nc2nc3cc4OCCCOc4cc3n2[C@H](N1)[*:1]
O=C1N=C(CSc2nnc(C3CC3)n2C2CC2)N=C2SCC(c3ccccc3Cl)=C12 Clc1ccccc1[*:1] O=C1N=C(CSc2nnc(C3CC3)n2C2CC2)N=C2SCC(=C12)[*:1]
O=C1N=C(CSc2nnc(C3CC3)n2C2CC2)N=C2SCC(c3ccccc3Cl)=C12 C1CC1[*:1] O=C1N=C(CSc2nnc(C3CC3)n2[*:1])N=C2SCC(=C12)c1ccccc1Cl
O=C1N=C(CSc2nnc(C3CC3)n2C2CC2)N=C2SCC(c3ccccc3Cl)=C12 C1CC1[*:1] O=C1N=C(CSc2nnc(n2C2CC2)[*:1])N=C2SCC(=C12)c1ccccc1Cl
CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1])c1cccc(Cl)c1
CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)cc1 Clc1cccc(c1)[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)[*:1])s1
CN(Cc1ccccc1F)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)[C@H]1CN(CCO1)Cc1ccccc1
CN(Cc1ccccc1F)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] CN(Cc1ccccc1F)C(=O)[C@H]1CN(CCO1)[*:1]
CN(Cc1ccccc1F)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] CN(Cc1ccccc1F)C(=O)[C@H]1CN(CCO1)C[*:1]
CN(Cc1ccccc1F)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 Fc1ccccc1C[*:1] CN(C(=O)[C@H]1CN(CCO1)Cc1ccccc1)[*:1]
CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 CC(C)(C)[*:1] O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@H](C(=O)[*:1])N1N=CC=C[C@H]21
CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 Brc1ccc(cc1)[*:1] CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@@H]2[C@H]2C=CC=NN21)[*:1]
CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 CC(C)(C)C(=O)[*:1] O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@@H](N1N=CC=C[C@H]21)[*:1]
CCN(CC(C)(C)O)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1
CCN(CC(C)(C)O)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 CC(C)(O)C[*:1] CCN(C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1)[*:1]
COCc1cc(C(=O)N2CCC(OCc3ccccc3)CC2)no1 COCc1cc(no1)[*:1] O=C(N1CCC(CC1)OCc1ccccc1)[*:1]
COCc1cc(C(=O)N2CCC(OCc3ccccc3)CC2)no1 c1ccc(cc1)[*:1] COCc1cc(no1)C(=O)N1CCC(CC1)OC[*:1]
COCc1cc(C(=O)N2CCC(OCc3ccccc3)CC2)no1 c1ccc(cc1)C[*:1] COCc1cc(no1)C(=O)N1CCC(CC1)O[*:1]
COCc1cc(C(=O)N2CCC(OCc3ccccc3)CC2)no1 COC[*:1] O=C(c1cc(on1)[*:1])N1CCC(CC1)OCc1ccccc1
COCc1cc(C(=O)N2CCC(OCc3ccccc3)CC2)no1 c1ccc(cc1)CO[*:1] COCc1cc(no1)C(=O)N1CCC(CC1)[*:1]
O=C(CCCOc1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CCCO[*:1])N1CCOCC1
COc1ccc2c(c1)C=C(C(=O)Nc1cnn(-c3ncccn3)c1)CO2 c1cnc(nc1)[*:1] COc1ccc2OCC(=Cc2c1)C(=O)Nc1cnn(c1)[*:1]
FC(F)Oc1cccc(C[NH2+]Cc2cc[nH]c2)c1 c1cc(c[nH]1)[*:1] FC(F)Oc1cccc(c1)C[NH2+]C[*:1]
FC(F)Oc1cccc(C[NH2+]Cc2cc[nH]c2)c1 FC(F)[*:1] c1cc(cc(c1)O[*:1])C[NH2+]Cc1cc[nH]c1
FC(F)Oc1cccc(C[NH2+]Cc2cc[nH]c2)c1 FC(F)O[*:1] c1cc(cc(c1)[*:1])C[NH2+]Cc1cc[nH]c1
CS(=O)(=O)CCN1CCN(c2ccc3nccn3n2)CC1 CS(=O)(=O)[*:1] c1cn2nc(ccc2n1)N1CCN(CC1)CC[*:1]
CS(=O)(=O)CCN1CCN(c2ccc3nccn3n2)CC1 CS(=O)(=O)CC[*:1] c1cn2nc(ccc2n1)N1CCN(CC1)[*:1]
CS(=O)(=O)CCN1CCN(c2ccc3nccn3n2)CC1 CS(=O)(=O)C[*:1] c1cn2nc(ccc2n1)N1CCN(CC1)C[*:1]
COc1ccc([C@H](NC(=O)c2ccc3c(c2)nc(C)n3C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[*:1]
COc1ccc([C@H](NC(=O)c2ccc3c(c2)nc(C)n3C)C2CC2)cc1 COc1ccc(cc1)[*:1] Cc1nc2cc(ccc2n1C)C(=O)N[C@H](C1CC1)[*:1]
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)c1C O=[N+]([O-])[*:1] Cc1cc(cc(c1C)S(=O)(=O)N1CCC[C@H]1c1ccccc1)[*:1]
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cc(cc(c1C)S(=O)(=O)N1CCC[C@@H]1[*:1])[N+](=O)[O-]
C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1)N1CCc2ccccc21 c1coc(c1)[*:1] C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)[*:1])N1CCc2ccccc21
C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1)N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1)[*:1]
COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)C(=O)N[C@@H](CC(=O)[O-])[*:1]
COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 O=C([O-])[*:1] COc1ccc(cc1)C(=O)N[C@@H](C[*:1])c1cccs1
COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 O=C([O-])C[*:1] COc1ccc(cc1)C(=O)N[C@@H](c1cccs1)[*:1]
CNC(=S)NCCCOC COC[*:1] CNC(=S)NCC[*:1]
O=C(CNc1cccc(Oc2ccccn2)c1)N1CCC[C@H]2CCCC[C@H]21 c1ccc(nc1)[*:1] O=C(CNc1cccc(c1)O[*:1])N1CCC[C@H]2CCCC[C@H]21
O=C(CNc1cccc(Oc2ccccn2)c1)N1CCC[C@H]2CCCC[C@H]21 c1ccc(nc1)O[*:1] O=C(CNc1cccc(c1)[*:1])N1CCC[C@H]2CCCC[C@H]21
COC(=O)[C@H](C)S[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C COC(=O)[C@H](C)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[*:1])c1C
COC(=O)[C@H](C)S[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C COC(=O)[C@H](C)S[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[*:1])c1C
COC(=O)[C@H](C)S[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C CC(=O)[*:1] COC(=O)[C@H](C)S[C@@H](C)C(=O)c1[nH]c(C)c(c1C)[*:1]
COC(=O)[C@H](C)S[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C COC(=O)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@@H](C)[*:1])c1C
O=C(NCc1ccc2c(c1)OCO2)c1cn(CCC2CCCCC2)nn1 C1CCC(CC1)C[*:1] O=C(NCc1ccc2OCOc2c1)c1cn(C[*:1])nn1
O=C(NCc1ccc2c(c1)OCO2)c1cn(CCC2CCCCC2)nn1 C1CCC(CC1)[*:1] O=C(NCc1ccc2OCOc2c1)c1cn(CC[*:1])nn1
O=C(NCc1ccc2c(c1)OCO2)c1cn(CCC2CCCCC2)nn1 C1CCC(CC1)CC[*:1] O=C(NCc1ccc2OCOc2c1)c1cn(nn1)[*:1]
CCc1nc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)cs1 CCc1nc(cs1)C[*:1] C[NH+]1CCC(CC1)C(=O)NCC1CC[NH+](CC1)[*:1]
CCc1nc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)cs1 CCc1nc(cs1)[*:1] C[NH+]1CCC(CC1)C(=O)NCC1CC[NH+](CC1)C[*:1]
CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nnc2ccnn2c1[O-] c1ccc(cc1)C[*:1] CC(C)CNC(=O)[C@H](NC(=O)c1nnc2ccnn2c1[O-])[*:1]
CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nnc2ccnn2c1[O-] CC(C)CNC(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1nnc2ccnn2c1[O-]
CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nnc2ccnn2c1[O-] c1ccc(cc1)[*:1] CC(C)CNC(=O)[C@H](C[*:1])NC(=O)c1nnc2ccnn2c1[O-]
CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nnc2ccnn2c1[O-] CC(C)C[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1nnc2ccnn2c1[O-]
CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nnc2ccnn2c1[O-] CC(C)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)NC[*:1])c1nnc2ccnn2c1[O-]
C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CS[*:1]
CCC(=O)Nc1cc2c(cc1Br)n(C)c(=O)n2C CCC(=O)N[*:1] Cn1c(=O)n(C)c2cc(c(Br)cc21)[*:1]
O=C(CCc1ccco1)Nc1cccc(/C=C/c2ccccn2)c1 c1coc(c1)C[*:1] O=C(C[*:1])Nc1cccc(/C=C/c2ccccn2)c1
O=C(CCc1ccco1)Nc1cccc(/C=C/c2ccccn2)c1 C(=C[*:1])c1ccccn1 O=C(CCc1ccco1)Nc1cccc(c1)[*:1]
O=C(CCc1ccco1)Nc1cccc(/C=C/c2ccccn2)c1 c1coc(c1)[*:1] O=C(CC[*:1])Nc1cccc(/C=C/c2ccccn2)c1
O=C(CCc1ccco1)Nc1cccc(/C=C/c2ccccn2)c1 c1ccc(nc1)[*:1] O=C(CCc1ccco1)Nc1cccc(C=C[*:1])c1
O=C(CCc1ccco1)Nc1cccc(/C=C/c2ccccn2)c1 c1coc(c1)CC[*:1] O=C(Nc1cccc(/C=C/c2ccccn2)c1)[*:1]
O=C1C[C@H](C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)c2ccccc2N1 c1ccc(cc1)C[*:1] O=C1C[C@H](C(=O)Nc2cccc(c2)C(=O)O[*:1])c2ccccc2N1
O=C1C[C@H](C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)c2ccccc2N1 c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)Nc2cccc(c2)C(=O)OC[*:1])c2ccccc2N1
O=C1C[C@H](C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)c2ccccc2N1 O=C(OCc1ccccc1)[*:1] O=C1C[C@H](C(=O)Nc2cccc(c2)[*:1])c2ccccc2N1
CNC(=O)CN(C)C(=O)c1cccnc1SCc1cc(C)on1 Cc1cc(C[*:1])no1 CNC(=O)CN(C)C(=O)c1cccnc1S[*:1]
CNC(=O)CN(C)C(=O)c1cccnc1SCc1cc(C)on1 CNC(=O)C[*:1] Cc1cc(CSc2ncccc2C(=O)N(C)[*:1])no1
CNC(=O)CN(C)C(=O)c1cccnc1SCc1cc(C)on1 Cc1cc(no1)[*:1] CNC(=O)CN(C)C(=O)c1cccnc1SC[*:1]
CNC(=O)CN(C)C(=O)c1cccnc1SCc1cc(C)on1 CNC(=O)[*:1] Cc1cc(CSc2ncccc2C(=O)N(C)C[*:1])no1
CCC[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](NC(=O)Nc1cnn(c1)CC(N)=O)[*:1]
CCC[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1 NC(=O)C[*:1] CCC[C@H](NC(=O)Nc1cnn(c1)[*:1])c1ccccc1
CCC[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1 NC(=O)[*:1] CCC[C@H](NC(=O)Nc1cnn(c1)C[*:1])c1ccccc1
CCC[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1 CCC[*:1] NC(=O)Cn1cc(cn1)NC(=O)N[C@H](c1ccccc1)[*:1]
C[C@@H](Cn1ccnc1)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] C[C@@H](Cn1ccnc1)NC(=O)C1CCC(=O)N(C[*:1])N=1
C[C@@H](Cn1ccnc1)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 c1cn(cn1)C[*:1] C[C@@H](NC(=O)C1CCC(=O)N(Cc2ccccc2)N=1)[*:1]
C[C@@H](Cn1ccnc1)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 c1ccc(cc1)C[*:1] C[C@@H](Cn1ccnc1)NC(=O)C1CCC(=O)N(N=1)[*:1]
C[C@@H](Cn1ccnc1)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 c1cn(cn1)[*:1] C[C@@H](C[*:1])NC(=O)C1CCC(=O)N(Cc2ccccc2)N=1
COc1cc(N[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc(OC)c1 FC(F)O[*:1] COc1cc(cc(c1)OC)N[C@@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
COc1cc(N[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc(OC)c1 FC(F)[*:1] COc1cc(cc(c1)OC)N[C@@H]1CCCN(C1)C(=O)c1ccccc1O[*:1]
O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)NC[C@H]2CCCO2)c(Cl)cc1Cl Clc1ccc(cc1)[*:1] O=C(N[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)NC[C@H]1CCCO1
CCC[C@]1(c2ccccc2)NC(=O)N(Cc2nccn2C(F)F)C1=O FC(F)n1ccnc1[*:1] CCC[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
CCC[C@]1(c2ccccc2)NC(=O)N(Cc2nccn2C(F)F)C1=O CCC[*:1] O=C1N[C@](C(=O)N1Cc1nccn1C(F)F)(c1ccccc1)[*:1]
CCC[C@]1(c2ccccc2)NC(=O)N(Cc2nccn2C(F)F)C1=O FC(F)[*:1] CCC[C@@]1(NC(=O)N(Cc2nccn2[*:1])C1=O)c1ccccc1
CCC[C@]1(c2ccccc2)NC(=O)N(Cc2nccn2C(F)F)C1=O c1ccc(cc1)[*:1] CCC[C@@]1(NC(=O)N(Cc2nccn2C(F)F)C1=O)[*:1]
O=C(C1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1)N1CCOCC1 C1CCC(CC1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1])N1CCOCC1
O=C(C1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)(c1ccc(cc1)C1CCCCC1)N1CCC(CC1)[*:1]
Cc1cnn(C[C@@H]2CN(CC(=O)NC3CCOCC3)CCO2)c1 C1CC(CCO1)[*:1] Cc1cnn(c1)C[C@@H]1CN(CCO1)CC(=O)N[*:1]
Cc1cnn(C[C@@H]2CN(CC(=O)NC3CCOCC3)CCO2)c1 Cc1cnn(c1)[*:1] O=C(CN1CCO[C@@H](C1)C[*:1])NC1CCOCC1
Cc1cnn(C[C@@H]2CN(CC(=O)NC3CCOCC3)CCO2)c1 Cc1cnn(c1)C[*:1] O=C(CN1CCO[C@@H](C1)[*:1])NC1CCOCC1
COC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 COC(=O)[*:1] Cc1cc(ccc1Cl)O[C@@H](C)[*:1]
CCCCSc1cc(C(N)=O)c2ccccc2n1 CCC[*:1] NC(=O)c1cc(nc2ccccc12)SC[*:1]
CCCCSc1cc(C(N)=O)c2ccccc2n1 NC(=O)[*:1] CCCCSc1cc(c2ccccc2n1)[*:1]
CCCCSc1cc(C(N)=O)c2ccccc2n1 CCCC[*:1] NC(=O)c1cc(nc2ccccc12)S[*:1]
CCCCSc1cc(C(N)=O)c2ccccc2n1 CCCCS[*:1] NC(=O)c1cc(nc2ccccc12)[*:1]
Cn1cc(C(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] Cn1cc(C(=O)C(O)(c2ccccc2)[*:1])c2ccccc21
CC(C)CO[C@H](C)c1noc(CN2CCN(C)c3ccccc32)n1 CC(C)CO[*:1] C[C@H](c1noc(CN2CCN(C)c3ccccc32)n1)[*:1]
CC(C)CO[C@H](C)c1noc(CN2CCN(C)c3ccccc32)n1 CC(C)[*:1] C[C@@H](OC[*:1])c1noc(CN2CCN(C)c3ccccc32)n1
CC(C)CO[C@H](C)c1noc(CN2CCN(C)c3ccccc32)n1 CC(C)C[*:1] C[C@@H](O[*:1])c1noc(CN2CCN(C)c3ccccc32)n1
CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CN(C)C(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1cc(no1)-c1ccccc1
CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccc(F)c2)C1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@]1(CCCN(C1)C(=O)c1cccc(F)c1)Cc1cc(no1)[*:1]
CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccc(F)c2)C1 CN(C)C(=O)[*:1] O=C(c1cccc(F)c1)N1CCC[C@](Cc2cc(no2)-c2ccccc2)(C1)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)n2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1nc(cs1)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)n2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)c1c(C)nn(C[*:1])c1Cl
CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)n2)cc1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)c1c(C)nn(c1Cl)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)n2)cc1 CC(=O)N[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CCn1ccc(C(=O)NCCCn2ncc3ccccc32)n1 CCn1ccc(n1)[*:1] O=C(NCCCn1ncc2ccccc21)[*:1]
Cc1cccnc1CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 Cc1cccnc1C[*:1] O=C(N[*:1])c1cc(nc2ccc(F)cc12)C1CC1
Cc1cccnc1CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 Cc1cccnc1[*:1] O=C(NC[*:1])c1cc(nc2ccc(F)cc12)C1CC1
Cc1cccnc1CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 C1CC1[*:1] Cc1cccnc1CNC(=O)c1cc(nc2ccc(F)cc12)[*:1]
CCOC(=O)c1ccc2nc(NC(=O)[C@H](C)n3c(=O)cc(C)c4cccc(C)c43)sc2c1 CCOC(=O)[*:1] Cc1cc(=O)n(c2c(C)cccc12)[C@@H](C)C(=O)Nc1nc2ccc(cc2s1)[*:1]
Cc1ccc(CN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)C(C)C)s1 CC(C)[*:1] Cc1ccc(CN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)[*:1])s1
Cc1ccc(CN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)C(C)C)s1 Cc1ccc(s1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C[*:1])C(C)C
Cc1ccc(CN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)C(C)C)s1 Cc1n[nH]c(C)c1[*:1] Cc1ccc(CN(C(=O)[C@H](C)C[*:1])C(C)C)s1
Cc1ccc(CN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)C(C)C)s1 Cc1ccc(C[*:1])s1 Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C(C)C)[*:1]
C[C@@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccccc1-n1cccn1 Cn1cccc1C[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccccc1-n1cccn1
C[C@@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] C[C@@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccccc1[*:1]
C[C@@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccccc1-n1cccn1 Cn1cccc1CC[*:1] C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cccn1)[*:1]
C[C@@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccccc1-n1cccn1 Cn1cccc1[*:1] C[C@@H](CC[*:1])NC(=O)C(=O)Nc1ccccc1-n1cccn1
C/C(=N/N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(OC(C)C)cc1 CC(C)O[*:1] C/C(=N/N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(cc1)[*:1]
C/C(=N/N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(OC(C)C)cc1 O=C([O-])[*:1] C/C(=N/N=C1\NC(=O)[C@H](C[*:1])S1)c1ccc(cc1)OC(C)C
C/C(=N/N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(OC(C)C)cc1 O=C([O-])C[*:1] C/C(=N/N=C1\NC(=O)[C@H](S1)[*:1])c1ccc(cc1)OC(C)C
C/C(=N/N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(OC(C)C)cc1 CC(C)[*:1] C/C(=N/N=C1\NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(cc1)O[*:1]
CC(=O)c1ccc(N2CCN(C(=S)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 Clc1ccc(cc1Cl)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C(=S)N[*:1]
CC(=O)c1ccc(N2CCN(C(=S)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 CC(=O)[*:1] S=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC1)c1ccc(cc1)[*:1]
O[C@H](CSc1nnc(NC[C@H]2CCCO2)s1)c1ccccc1F Fc1ccccc1[*:1] O[C@H](CSc1nnc(NC[C@H]2CCCO2)s1)[*:1]
O[C@H](CSc1nnc(NC[C@H]2CCCO2)s1)c1ccccc1F C1CO[C@H](C1)CN[*:1] O[C@H](CSc1nnc(s1)[*:1])c1ccccc1F
O[C@H](CSc1nnc(NC[C@H]2CCCO2)s1)c1ccccc1F C1CO[C@H](C1)[*:1] O[C@H](CSc1nnc(NC[*:1])s1)c1ccccc1F
O[C@H](CSc1nnc(NC[C@H]2CCCO2)s1)c1ccccc1F C1CO[C@H](C1)C[*:1] O[C@H](CSc1nnc(N[*:1])s1)c1ccccc1F
CCc1cccc2sc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)nc12 CC(C)S(=O)(=O)[*:1] CCc1cccc2sc(nc12)NC(=O)Cc1ccc(cc1)[*:1]
CCc1cccc2sc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)nc12 CC(C)[*:1] CCc1cccc2sc(nc12)NC(=O)Cc1ccc(cc1)S(=O)(=O)[*:1]
CC(C)[C@H](C)NC(=O)CO/N=C(\N)C(F)(F)F FC(F)(F)[*:1] CC(C)[C@H](C)NC(=O)CO/N=C(\N)[*:1]
CC(C)[C@H](C)NC(=O)CO/N=C(\N)C(F)(F)F CC(C)[*:1] C[C@H](NC(=O)CO/N=C(\N)C(F)(F)F)[*:1]
CC(C)[C@H](C)NC(=O)CO/N=C(\N)C(F)(F)F CC(C)[C@H](C)[*:1] N/C(=N\OCC(=O)N[*:1])C(F)(F)F
CCCc1cc(NC(=O)NCc2csc(C(C)C)n2)n(C)n1 CC(C)[*:1] CCCc1cc(NC(=O)NCc2csc(n2)[*:1])n(C)n1
CCCc1cc(NC(=O)NCc2csc(C(C)C)n2)n(C)n1 CCC[*:1] CC(C)c1nc(cs1)CNC(=O)Nc1cc(nn1C)[*:1]
COCCNC(=O)CN1CCN(C(=O)Nc2cccc(F)c2C)CC1 COCCNC(=O)C[*:1] Cc1c(F)cccc1NC(=O)N1CCN(CC1)[*:1]
COCCNC(=O)CN1CCN(C(=O)Nc2cccc(F)c2C)CC1 COCCNC(=O)[*:1] Cc1c(F)cccc1NC(=O)N1CCN(CC1)C[*:1]
COCCNC(=O)CN1CCN(C(=O)Nc2cccc(F)c2C)CC1 COC[*:1] Cc1c(F)cccc1NC(=O)N1CCN(CC1)CC(=O)NC[*:1]
COCCNC(=O)CN1CCN(C(=O)Nc2cccc(F)c2C)CC1 COCC[*:1] Cc1c(F)cccc1NC(=O)N1CCN(CC1)CC(=O)N[*:1]
COCCNC(=O)CN1CCN(C(=O)Nc2cccc(F)c2C)CC1 Cc1c(F)cccc1[*:1] COCCNC(=O)CN1CCN(CC1)C(=O)N[*:1]
O=C(Oc1cccc(F)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Oc1cccc(F)c1)C1CCN(CC1)C(=O)[*:1]
O=C(Oc1cccc(F)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1cccc(c1)[*:1] O=C(O[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1
O=c1c2cnc3nc(-c4ccc5c(c4)OCCO5)nn3c2ccn1C[C@H]1CCCO1 c1cc2OCCOc2cc1[*:1] O=c1c2cnc3nc(nn3c2ccn1C[C@H]1CCCO1)[*:1]
CC(C)c1ccc(NC(=O)c2nn([C@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1nn(c2CCCCc12)[C@H]1CCS(=O)(=O)C1
CC(C)c1ccc(NC(=O)c2nn([C@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 CC(C)c1ccc(cc1)[*:1] O=C(N[*:1])c1nn(c2CCCCc12)[C@H]1CCS(=O)(=O)C1
CCOC(=O)C1(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 CCOC(=O)[*:1] O=C(NC1(CCCCC1)[*:1])[C@H]1CCC[C@@H](C1)C(F)(F)F
CCOC(=O)C1(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 FC(F)(F)[*:1] CCOC(=O)C1(CCCCC1)NC(=O)[C@H]1CCC[C@H](C1)[*:1]
COC[C@@H](C)NC(=O)Nc1ccc(F)cc1F COC[*:1] C[C@@H](NC(=O)Nc1ccc(F)cc1F)[*:1]
COC[C@@H](C)NC(=O)Nc1ccc(F)cc1F COC[C@@H](C)[*:1] O=C(Nc1ccc(F)cc1F)N[*:1]
Cc1ccc(C[NH+]2CCC(n3nnc4c(=O)nc(C5CC5)[nH]c43)CC2)o1 C1CC1[*:1] Cc1ccc(C[NH+]2CCC(CC2)n2nnc3c(=O)nc([nH]c32)[*:1])o1
Cc1ccc(C[NH+]2CCC(n3nnc4c(=O)nc(C5CC5)[nH]c43)CC2)o1 Cc1ccc(o1)[*:1] O=c1nc([nH]c2c1nnn2C1CC[NH+](CC1)C[*:1])C1CC1
Cc1ccc(C[NH+]2CCC(n3nnc4c(=O)nc(C5CC5)[nH]c43)CC2)o1 Cc1ccc(C[*:1])o1 O=c1nc([nH]c2c1nnn2C1CC[NH+](CC1)[*:1])C1CC1
CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 CC(=O)N(C)[*:1] O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(cc1)[*:1]
COc1ccc(C[NH+]2CCCN(C(=O)c3ccccn3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccn1)N1CCC[NH+](CC1)C[*:1]
COc1ccc(C[NH+]2CCCN(C(=O)c3ccccn3)CC2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)C[NH+]1CCCN(CC1)C(=O)[*:1]
COc1ccc(Cl)cc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 O=C([O-])C[*:1] COc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(Cl)cc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 O=C([O-])CO[*:1] COc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(Cl)cc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)OC[*:1]
CCC[C@@H](CNC(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)C(=O)[O-] COC(=O)[*:1] CCC[C@@H](CNC(=O)N1C[C@@H](C)[C@H](C1)[*:1])C(=O)[O-]
CCC[C@@H](CNC(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)C(=O)[O-] O=C([O-])[*:1] CCC[C@@H](CNC(=O)N1C[C@@H](C)[C@@H](C1)C(=O)OC)[*:1]
CCC[C@@H](CNC(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)C(=O)[O-] CCC[C@@H](C(=O)[O-])[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)NC[*:1]
CCC[C@@H](CNC(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)C(=O)[O-] CCC[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)NC[C@@H](C(=O)[O-])[*:1]
COc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1OC O=C([O-])[*:1] COc1cc(C)c(cc1OC)S(=O)(=O)Nc1cc(ccc1F)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4cccnc4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 O=[N+]([O-])[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(c1)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4cccnc4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 c1cncc(c1)C[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4cccnc4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4cccnc4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 c1cncc(c1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccc(c1)[N+](=O)[O-]
Cc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CCC(C)C)C2)cc1 CC(C)CC[*:1] Cc1ccc(cc1)CCNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CCC(C)C)C2)cc1 CC(C)C[*:1] Cc1ccc(cc1)CCNC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CCC(C)C)C2)cc1 CC(C)[*:1] Cc1ccc(cc1)CCNC(=O)[C@@H]1CC(=O)N(CC[*:1])C1
Cc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CCC(C)C)C2)cc1 Cc1ccc(cc1)[*:1] CC(C)CCN1C[C@@H](CC1=O)C(=O)NCC[*:1]
CC(C)c1ccc([C@@H]([NH3+])[C@H]2CCc3cccnc32)cc1 CC(C)[*:1] [NH3+][C@H](c1ccc(cc1)[*:1])[C@H]1CCc2cccnc21
[NH3+][C@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)[*:1]
[NH3+][C@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)C(=O)[O-] FC(F)(Cl)[*:1] [NH3+][C@H](CC(F)(F)C(F)(F)C(F)(F)[*:1])C(=O)[O-]
Clc1ccc(Cc2noc(-c3cnc([C@H]4CCCO4)s3)n2)cc1 Clc1ccc(cc1)[*:1] c1nc(sc1-c1nc(C[*:1])no1)[C@H]1CCCO1
O=c1ccc([N-]S(=O)(=O)CC2CCC2)cn1Cc1ccccc1Cl C1CC(C1)[*:1] O=c1ccc(cn1Cc1ccccc1Cl)[N-]S(=O)(=O)C[*:1]
O=c1ccc([N-]S(=O)(=O)CC2CCC2)cn1Cc1ccccc1Cl Clc1ccccc1C[*:1] O=c1ccc(cn1[*:1])[N-]S(=O)(=O)CC1CCC1
O=c1ccc([N-]S(=O)(=O)CC2CCC2)cn1Cc1ccccc1Cl C1CC(C1)C[*:1] O=c1ccc(cn1Cc1ccccc1Cl)[N-]S(=O)(=O)[*:1]
O=c1ccc([N-]S(=O)(=O)CC2CCC2)cn1Cc1ccccc1Cl Clc1ccccc1[*:1] O=c1ccc(cn1C[*:1])[N-]S(=O)(=O)CC1CCC1
Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)n2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1C)[*:1])C(=O)Nc1ccc(cc1)C(N)=O
Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)n2C)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1nnc(S[C@H](C)C(=O)Nc2ccc(cc2)[*:1])n1C
Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)n2C)cc1 NC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(S[C@H](C)C(=O)N[*:1])n1C
COc1ccc(-c2csc(NC(=O)[C@H](CC(=O)[O-])[NH+]3CCCCC3)n2)cc1 COc1ccc(cc1)[*:1] O=C([O-])C[C@@H](C(=O)Nc1nc(cs1)[*:1])[NH+]1CCCCC1
COc1ccc(-c2csc(NC(=O)[C@H](CC(=O)[O-])[NH+]3CCCCC3)n2)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)[C@H](C[*:1])[NH+]1CCCCC1
CC(C)(CNc1ccc(C#N)c(N)c1)NS(C)(=O)=O CS(=O)(=O)N[*:1] CC(C)(CNc1ccc(C#N)c(N)c1)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)c1cc2CCCN3C(=O)Cc(c1)c23
CN(Cc1ccccc1)S(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 c1ccc(cc1)C[*:1] CN(S(=O)(=O)c1cc2CCCN3C(=O)Cc(c1)c23)[*:1]
COc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2C)c1 COc1cccc(c1)[*:1] Cn1c(nnc1-c1cccs1)SCC(=O)N[*:1]
COc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2C)c1 c1csc(c1)[*:1] COc1cccc(c1)NC(=O)CSc1nnc(n1C)[*:1]
CCOC(=O)Nc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)s1 CCOC(=O)N[*:1] COc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(nc1C)[*:1]
CCOC(=O)Nc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)s1 COc1ccc(cc1)[*:1] CCOC(=O)Nc1nc(C)c(s1)-c1nc2ccccc2c(=O)n1[*:1]
N#CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 N#CC[*:1] N#Cc1ccc(cc1Cl)NC(=O)CN(c1ccccc1)[*:1]
N#CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] N#CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[*:1]
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 c1csc(c1)[*:1] C[C@@H](C[C@@H](O)[*:1])NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 O[C@H](C[*:1])c1cccs1 C[C@@H](NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 O[C@@H](c1cccs1)[*:1] C[C@@H](C[*:1])NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(Br)c1 O=S1(=O)CC[C@@H](C1)[*:1] COC(=O)C1=C(C)N(C(=O)N[C@@H]1c1cccc(Br)c1)[*:1]
COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(Br)c1 COC(=O)[*:1] CC1=C([C@H](NC(=O)N1[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1)[*:1]
COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] COC(=O)C1=C(C)N(C(=O)N[C@H]1[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)C[C@H](C[NH3+])c1nc2ccc(F)cc2s1 CC(C)[*:1] [NH3+]C[C@@H](C[*:1])c1nc2ccc(F)cc2s1
CC(C)C[C@H](C[NH3+])c1nc2ccc(F)cc2s1 CC(C)C[*:1] [NH3+]C[C@H](c1nc2ccc(F)cc2s1)[*:1]
O=C(NCc1ccc([N+]2=CCCC2)cc1)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)c1cccc(c1)[*:1]
Cc1ccc(C(c2ccc(C)o2)c2cccc([N+](=O)[O-])c2O)o1 O=[N+]([O-])[*:1] Cc1ccc(o1)C(c1ccc(C)o1)c1cccc(c1O)[*:1]
Cc1ccc(C(c2ccc(C)o2)c2cccc([N+](=O)[O-])c2O)o1 Cc1ccc(o1)[*:1] Cc1ccc(o1)C(c1cccc(c1O)[N+](=O)[O-])[*:1]
C[C@@H]1CN(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C)C[C@@H](C)O1 c1coc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)[C@@H](C)Sc1nnc(n1C)[*:1]
C/C=C/CN(NC(=O)OC)C(=O)OC CC=C[*:1] COC(=O)NN(C[*:1])C(=O)OC
C/C=C/CN(NC(=O)OC)C(=O)OC C/C=C/C[*:1] COC(=O)NN(C(=O)OC)[*:1]
CC(=O)Nc1cccc(O[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 CC(=O)N[*:1] O=C(N[C@@H](Oc1cccc(c1)[*:1])C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-]
CC(=O)Nc1cccc(O[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 ClC(Cl)(Cl)[*:1] CC(=O)Nc1cccc(c1)O[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[*:1]
CC(=O)Nc1cccc(O[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 O=[N+]([O-])c1ccccc1[*:1] CC(=O)Nc1cccc(c1)O[C@H](NC(=O)[*:1])C(Cl)(Cl)Cl
CC(=O)Nc1cccc(O[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 O=[N+]([O-])[*:1] CC(=O)Nc1cccc(c1)O[C@H](NC(=O)c1ccccc1[*:1])C(Cl)(Cl)Cl
COc1cncc(N2CCN(Cc3cnc(C(C)C)s3)CC2)n1 CC(C)[*:1] COc1cncc(n1)N1CCN(CC1)Cc1cnc(s1)[*:1]
c1ccc(Cn2cc[nH+]c2CN2CC[C@@H](Nc3ccccc3)C2)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)N[C@@H]1CCN(Cc2[nH+]ccn2[*:1])C1
c1ccc(Cn2cc[nH+]c2CN2CC[C@@H](Nc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)N[C@@H]1CCN(Cc2[nH+]ccn2C[*:1])C1
c1ccc(Cn2cc[nH+]c2CN2CC[C@@H](Nc3ccccc3)C2)cc1 c1ccc(cc1)N[*:1] c1ccc(cc1)Cn1cc[nH+]c1CN1CC[C@@H](C1)[*:1]
c1ccc(Cn2cc[nH+]c2CN2CC[C@@H](Nc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)Cn1cc[nH+]c1CN1CC[C@H](C1)N[*:1]
CCc1nc(NC(=O)Cc2ccc(-n3cccn3)cc2)sc1C(=O)OC COC(=O)[*:1] CCc1nc(NC(=O)Cc2ccc(cc2)-n2cccn2)sc1[*:1]
CCc1nc(NC(=O)Cc2ccc(-n3cccn3)cc2)sc1C(=O)OC c1cnn(c1)[*:1] CCc1nc(NC(=O)Cc2ccc(cc2)[*:1])sc1C(=O)OC
COC[C@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccc(C)o1 COC[*:1] Cc1ccc(o1)[C@@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)[*:1]
COC[C@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccc(C)o1 Cc1ccc(o1)[*:1] COC[C@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)[*:1]
Cc1ccc([C@@H]2C(=O)NC(=O)C[C@]2(C)CCC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@@H]1C(=O)NC(=O)C[C@]1(C)CC[*:1]
Cc1ccc([C@@H]2C(=O)NC(=O)C[C@]2(C)CCC(C)C)cc1 CC(C)C[*:1] Cc1ccc(cc1)[C@@H]1C(=O)NC(=O)C[C@]1(C)C[*:1]
Cc1ccc([C@@H]2C(=O)NC(=O)C[C@]2(C)CCC(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)CC[C@@]1(C)CC(=O)NC(=O)[C@H]1[*:1]
Cc1ccc([C@@H]2C(=O)NC(=O)C[C@]2(C)CCC(C)C)cc1 CC(C)CC[*:1] Cc1ccc(cc1)[C@@H]1C(=O)NC(=O)C[C@@]1(C)[*:1]
CCn1cc([C@@H]2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)N(C)S(=O)(=O)N2)c(C)n1 CCn1cc(c(C)n1)[*:1] CN1[C@H](C[C@H](NS1(=O)=O)[*:1])C(=O)NCc1ccc2OCOc2c1
CCn1cc([C@@H]2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)N(C)S(=O)(=O)N2)c(C)n1 c1cc2OCOc2cc1[*:1] CCn1cc(c(C)n1)[C@@H]1C[C@H](C(=O)NC[*:1])N(C)S(=O)(=O)N1
CCn1cc([C@@H]2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)N(C)S(=O)(=O)N2)c(C)n1 c1cc2OCOc2cc1C[*:1] CCn1cc(c(C)n1)[C@@H]1C[C@H](C(=O)N[*:1])N(C)S(=O)(=O)N1
CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccccc1C Cc1ccccc1[*:1] CCOC(=O)[C@H](C)CNC(=O)C(=O)N[*:1]
CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccccc1C CCOC(=O)[*:1] Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)[*:1]
CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccccc1C CCOC(=O)[C@H](C)[*:1] Cc1ccccc1NC(=O)C(=O)NC[*:1]
O=C(COc1ccc(N2CCN(c3cccc[nH+]3)CC2)nn1)N[C@@H]1CCCc2ccccc21 c1ccc2c(c1)CCC[C@H]2[*:1] O=C(COc1ccc(nn1)N1CCN(CC1)c1cccc[nH+]1)N[*:1]
CCC1(CC)CCN(S(=O)(=O)CCCCl)C1 ClCCC[*:1] CCC1(CC)CCN(C1)S(=O)(=O)[*:1]
CCC1(CC)CCN(S(=O)(=O)CCCCl)C1 ClCC[*:1] CCC1(CC)CCN(C1)S(=O)(=O)C[*:1]
O=C(Nc1cccnc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1 O=C(N[*:1])c1cccc(Br)c1 O=C(Nc1cccnc1)C(=Cc1cccc(c1)[N+](=O)[O-])[*:1]
O=C(Nc1cccnc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1 O=[N+]([O-])[*:1] O=C(Nc1cccnc1)/C(=C\c1cccc(c1)[*:1])NC(=O)c1cccc(Br)c1
O=C(Nc1cccnc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1cccnc1)C(=C[*:1])NC(=O)c1cccc(Br)c1
O=C(Nc1cccnc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1 O=C(Nc1cccnc1)[*:1] O=C(N/C(=C/c1cccc(c1)[N+](=O)[O-])[*:1])c1cccc(Br)c1
O=C(Nc1cccnc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(Nc1cccnc1)/C(=C\c1cccc(c1)[N+](=O)[O-])NC(=O)[*:1]
O=C(Nc1cccnc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1 c1cncc(c1)[*:1] O=C(N[*:1])/C(=C\c1cccc(c1)[N+](=O)[O-])NC(=O)c1cccc(Br)c1
CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)Cn2cccn2)C1 Fc1ccc(c(F)c1)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)Cn1cccn1)C[*:1]
CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)Cn2cccn2)C1 Fc1ccc(C[*:1])c(F)c1 CCOC(=O)[C@]1(CCCN(C1)C(=O)Cn1cccn1)[*:1]
CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)Cn2cccn2)C1 c1cnn(c1)C[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1ccc(F)cc1F
CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)Cn2cccn2)C1 c1cnn(c1)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)C[*:1])Cc1ccc(F)cc1F
CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)Cn2cccn2)C1 CCOC(=O)[*:1] O=C(Cn1cccn1)N1CCC[C@](Cc2ccc(F)cc2F)(C1)[*:1]
Nn1c(N/N=C/c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] Nn1c(nnc1SCC(=O)N[*:1])N/N=C/c1ccc(Cl)cc1Cl
Nn1c(N/N=C/c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nc2ccccc2s1 Clc1ccc(c(Cl)c1)[*:1] Nn1c(nnc1SCC(=O)Nc1nc2ccccc2s1)NN=C[*:1]
O=C(c1cscn1)N1C[C@H]2CCCC[C@@H]2C1 c1nc(cs1)[*:1] O=C(N1C[C@H]2CCCC[C@@H]2C1)[*:1]
CCOc1ccccc1S(=O)(=O)NCc1sc2nc(-c3cccs3)cn2c1C CCO[*:1] Cc1c(CNS(=O)(=O)c2ccccc2[*:1])sc2nc(cn12)-c1cccs1
CCOc1ccccc1S(=O)(=O)NCc1sc2nc(-c3cccs3)cn2c1C c1csc(c1)[*:1] CCOc1ccccc1S(=O)(=O)NCc1sc2nc(cn2c1C)[*:1]
CCOc1ccccc1S(=O)(=O)NCc1sc2nc(-c3cccs3)cn2c1C CCOc1ccccc1[*:1] Cc1c(CNS(=O)(=O)[*:1])sc2nc(cn12)-c1cccs1
CCc1nn(C)cc1CNc1ccnn1Cc1ccccc1F Fc1ccccc1[*:1] CCc1nn(C)cc1CNc1ccnn1C[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 Cc1cc(C)n(n1)[*:1] CC(=O)Nc1ccc(NC(=O)[C@@H](C)[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 CC(=O)N[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)Nc1ccc(cc1Cl)[*:1]
CCN(CC)C(=O)CCCNC(=O)Nc1nc2ccccc2s1 CCN(CC)C(=O)[*:1] O=C(NCCC[*:1])Nc1nc2ccccc2s1
CCSc1nnc(SCC(=O)N(CC)CC)s1 CCS[*:1] CCN(CC)C(=O)CSc1nnc(s1)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)CC1(O)CCCCC1 C[C@@H](O)[*:1] CC(C)(CNC(=O)CC1(O)CCCCC1)C[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)CC1(O)CCCCC1 C[C@@H](O)C[*:1] CC(C)(CNC(=O)CC1(O)CCCCC1)[*:1]
CC(C)C(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1 O=C(N[*:1])c1ccccc1 CC(C)C(=O)N1CCC(CC1)[C@H](C(=O)NCc1ccccc1)[*:1]
CC(C)C(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)C(=O)N1CCC(CC1)[C@H](NC(=O)c1ccccc1)C(=O)NC[*:1]
CC(C)C(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1 O=C(NCc1ccccc1)[*:1] CC(C)C(=O)N1CCC(CC1)[C@H](NC(=O)c1ccccc1)[*:1]
CC(C)C(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1 CC(C)[*:1] O=C(N[C@H](C(=O)NCc1ccccc1)C1CCN(CC1)C(=O)[*:1])c1ccccc1
CC(C)C(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)C(=O)N1CCC(CC1)[C@H](NC(=O)[*:1])C(=O)NCc1ccccc1
CC(C)C(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)C(=O)N1CCC(CC1)[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@@H](O)c1c(F)cccc1F CCS(=O)(=O)C[*:1] C[C@H](NC(=O)NC[C@@H](O)c1c(F)cccc1F)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@@H](O)c1c(F)cccc1F CCS(=O)(=O)[*:1] C[C@@H](C[*:1])NC(=O)NC[C@@H](O)c1c(F)cccc1F
CSCc1ccc(NC(=O)NC[C@H](O)C2CCOCC2)cc1 CSC[*:1] O=C(NC[C@H](O)C1CCOCC1)Nc1ccc(cc1)[*:1]
CSCc1ccc(NC(=O)NC[C@H](O)C2CCOCC2)cc1 C1CC(CCO1)[*:1] CSCc1ccc(cc1)NC(=O)NC[C@H](O)[*:1]
C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])CS2 O=C([O-])[*:1] C[C@]12CCC(=O)N1[C@@H](CS2)C(=O)N1CCC[C@H]1[*:1]
CC[C@H](C)Oc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 O=C([O-])[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)C=C[*:1]
CC[C@H](C)Oc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 CC[C@H](C)[*:1] O=C([O-])/C=C/C(=O)Nc1ccc(cc1)O[*:1]
CC[C@H](C)Oc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 O=C([O-])C=C[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)[*:1]
CC[C@H](C)Oc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 CC[C@H](C)O[*:1] O=C([O-])/C=C/C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccc6c(c5)OCO6)no4)ccc3c2=O)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)-n1c(=O)[nH]c2cc(ccc2c1=O)-c1nc(no1)[*:1]
COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccc6c(c5)OCO6)no4)ccc3c2=O)cc1 COc1ccc(cc1)[*:1] O=c1[nH]c2cc(ccc2c(=O)n1[*:1])-c1nc(no1)-c1ccc2OCOc2c1
COc1ccc(C(=O)Oc2ccc(C(F)(F)F)cc2)nn1 FC(F)(F)[*:1] COc1ccc(nn1)C(=O)Oc1ccc(cc1)[*:1]
CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc([S@](C)=O)cc1 CC(C)[*:1] C[S@](=O)c1ccc(cc1)C[NH2+]C[C@@H]1CCO[C@H]1[*:1]
CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(cc1)[*:1]
CCCc1c(C(=O)N2CC[C@@H](C)[C@H](O)C2)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCCc1c(nnn1[*:1])C(=O)N1CC[C@@H](C)[C@H](O)C1
CCCc1c(C(=O)N2CC[C@@H](C)[C@H](O)C2)nnn1-c1cccc(Cl)c1 CCC[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1nnn(-c2cccc(Cl)c2)c1[*:1]
C[NH+](CCO)Cc1nccc2ccccc12 OCC[*:1] C[NH+](Cc1nccc2ccccc12)[*:1]
C=C(Br)CN(C[C@H]1CCCO1)C[C@H]1CCCO1 C=C(Br)C[*:1] C1CO[C@H](C1)CN(C[C@H]1CCCO1)[*:1]
C=C(Br)CN(C[C@H]1CCCO1)C[C@H]1CCCO1 C=C(Br)[*:1] C1CO[C@H](C1)CN(C[C@H]1CCCO1)C[*:1]
C=C(Br)CN(C[C@H]1CCCO1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C=C(Br)CN(C[C@H]1CCCO1)C[*:1]
NC(=O)[C@H](Nc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](Nc1cccc(c1)N1CCCS1(=O)=O)[*:1]
NC(=O)[C@H](Nc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 O=S1(=O)CCCN1[*:1] NC(=O)[C@H](Nc1cccc(c1)[*:1])c1ccccc1
NC(=O)[C@H](Nc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 NC(=O)[*:1] O=S1(=O)CCCN1c1cccc(c1)N[C@H](c1ccccc1)[*:1]
C[C@@H]1CC[C@](C#N)(c2c([O-])n(-c3ccccc3)n(-c3ccccc3)c2=O)C1 c1ccc(cc1)[*:1] C[C@@H]1CC[C@@](C#N)(C1)c1c([O-])n(-c2ccccc2)n(c1=O)[*:1]
C[C@@H]1CC[C@](C#N)(c2c([O-])n(-c3ccccc3)n(-c3ccccc3)c2=O)C1 c1ccc(cc1)[*:1] C[C@@H]1CC[C@@](C#N)(C1)c1c([O-])n(n(-c2ccccc2)c1=O)[*:1]
Cc1ccc(-c2nnc([S@@](=O)[C@H](C)C(=O)N3CCCCC3)n2C)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)-c1nnc(n1C)[S@@](=O)[C@H](C)[*:1]
Cc1ccc(-c2nnc([S@@](=O)[C@H](C)C(=O)N3CCCCC3)n2C)cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCCCC1)[S@](=O)c1nnc(n1C)[*:1]
CCOC[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 CCO[*:1] Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H](C1)C[*:1]
CCOC[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 CCOC[*:1] Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@H](C1)[*:1]
C=CC[NH+]1CCC(NC(=O)N2CCN(CCOC(C)C)CC2)CC1 CC(C)O[*:1] C=CC[NH+]1CCC(CC1)NC(=O)N1CCN(CC1)CC[*:1]
C=CC[NH+]1CCC(NC(=O)N2CCN(CCOC(C)C)CC2)CC1 CC(C)[*:1] C=CC[NH+]1CCC(CC1)NC(=O)N1CCN(CCO[*:1])CC1
C=CC[NH+]1CCC(NC(=O)N2CCN(CCOC(C)C)CC2)CC1 CC(C)OC[*:1] C=CC[NH+]1CCC(CC1)NC(=O)N1CCN(CC1)C[*:1]
C=CC[NH+]1CCC(NC(=O)N2CCN(CCOC(C)C)CC2)CC1 CC(C)OCC[*:1] C=CC[NH+]1CCC(CC1)NC(=O)N1CCN(CC1)[*:1]
C[C@H]1CCC[C@@H](OC(=O)c2cccc(C(F)(F)F)c2F)C1 FC(F)(F)[*:1] C[C@H]1CCC[C@H](C1)OC(=O)c1cccc(c1F)[*:1]
CCc1cccc(NC(=O)COC(=O)Cc2c(F)cccc2Cl)c1 Fc1cccc(Cl)c1[*:1] CCc1cccc(c1)NC(=O)COC(=O)C[*:1]
CCc1cccc(NC(=O)COC(=O)Cc2c(F)cccc2Cl)c1 CCc1cccc(c1)[*:1] O=C(COC(=O)Cc1c(F)cccc1Cl)N[*:1]
Nn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1F Fc1ccccc1[*:1] Nn1c(nnc1[*:1])SCC(=O)N1CCCc2ccccc21
COc1ccc(OC)c(NC(=O)CSc2nc(N)c(-c3ccccc3)c(=O)[nH]2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)CSc1nc(N)c(c(=O)[nH]1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 N#Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc2OC(F)(F)Oc2c1
CC[C@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@H](O/N=C/c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
CC[C@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)on1 O=[N+]([O-])[*:1] CC[C@H](O/N=C/c1cccc(c1)[*:1])C(=O)Nc1cc(C)on1
CCCc1cc(C(=O)N(Cc2ccccn2)Cc2ccco2)[nH]n1 c1ccc(C[*:1])nc1 CCCc1cc([nH]n1)C(=O)N(Cc1ccco1)[*:1]
CCCc1cc(C(=O)N(Cc2ccccn2)Cc2ccco2)[nH]n1 CCCc1cc([nH]n1)[*:1] O=C(N(Cc1ccccn1)Cc1ccco1)[*:1]
CCCc1cc(C(=O)N(Cc2ccccn2)Cc2ccco2)[nH]n1 c1ccc(nc1)[*:1] CCCc1cc([nH]n1)C(=O)N(Cc1ccco1)C[*:1]
CCCc1cc(C(=O)N(Cc2ccccn2)Cc2ccco2)[nH]n1 c1coc(c1)C[*:1] CCCc1cc([nH]n1)C(=O)N(Cc1ccccn1)[*:1]
CCCc1cc(C(=O)N(Cc2ccccn2)Cc2ccco2)[nH]n1 CCC[*:1] O=C(c1cc(n[nH]1)[*:1])N(Cc1ccccn1)Cc1ccco1
CCCc1cc(C(=O)N(Cc2ccccn2)Cc2ccco2)[nH]n1 c1coc(c1)[*:1] CCCc1cc([nH]n1)C(=O)N(Cc1ccccn1)C[*:1]
Cc1cccc(-n2ncc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2-n2cccc2)c1 Cc1cccc(c1)[*:1] O=C(c1cnn(c1-n1cccc1)[*:1])N1CCC(CC1)[NH+]1CCCCC1
Cc1cccc(-n2ncc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2-n2cccc2)c1 c1ccn(c1)[*:1] Cc1cccc(c1)-n1ncc(C(=O)N2CCC(CC2)[NH+]2CCCCC2)c1[*:1]
COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cn(C)c4ccccc34)CC2)c1 O=C(N1CCCC1)[*:1] COc1ccc(c(c1)OC1CC[NH+](CC1)Cc1cn(C)c2ccccc12)[*:1]
COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cn(C)c4ccccc34)CC2)c1 Cn1cc(C[*:1])c2ccccc21 COc1ccc(C(=O)N2CCCC2)c(c1)OC1CC[NH+](CC1)[*:1]
COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cn(C)c4ccccc34)CC2)c1 Cn1cc(c2ccccc21)[*:1] COc1ccc(C(=O)N2CCCC2)c(c1)OC1CC[NH+](CC1)C[*:1]
C=CCNC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 C=CC[*:1] O=C(Nc1ccc(F)c(Cl)c1)C1CCN(CC1)C(=O)N[*:1]
C#Cc1cc(F)c(NC(=O)N(C)C[C@H](O)CN2CCOCC2)c(F)c1 C1CN(CCO1)C[*:1] C#Cc1cc(F)c(NC(=O)N(C)C[C@H](O)[*:1])c(F)c1
C#Cc1cc(F)c(NC(=O)N(C)C[C@H](O)CN2CCOCC2)c(F)c1 C1CN(CCO1)[*:1] C#Cc1cc(F)c(NC(=O)N(C)C[C@H](O)C[*:1])c(F)c1
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(c1NC(=O)[C@H](C)Oc1cccnc1[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-] CC(C)[*:1] Cc1cccc(c1NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-])[*:1]
C[C@H](CCc1cccn1C)NC(=O)COc1ccc(Br)cc1 Cn1cccc1C[*:1] C[C@H](C[*:1])NC(=O)COc1ccc(Br)cc1
C[C@H](CCc1cccn1C)NC(=O)COc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](CCc1cccn1C)NC(=O)CO[*:1]
C[C@H](CCc1cccn1C)NC(=O)COc1ccc(Br)cc1 Cn1cccc1[*:1] C[C@H](CC[*:1])NC(=O)COc1ccc(Br)cc1
CCCc1nc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] CCCc1nc(n[nH]1)C(=O)N[C@@H]1C[C@H]1[*:1]
CCCc1nc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)n[nH]1 CCC[*:1] O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1n[nH]c(n1)[*:1]
Cc1ccn2c(NC(=O)c3ccccc3F)c(-c3ccc(F)cc3)nc2c1 Fc1ccccc1[*:1] Cc1ccn2c(NC(=O)[*:1])c(nc2c1)-c1ccc(F)cc1
Cc1ccn2c(NC(=O)c3ccccc3F)c(-c3ccc(F)cc3)nc2c1 Fc1ccc(cc1)[*:1] Cc1ccn2c(NC(=O)c3ccccc3F)c(nc2c1)[*:1]
CC(C)CC(C)(C)C(=O)N1CC[S@](=O)C(C)(C)C1 CC(C)[*:1] CC(C)(C[*:1])C(=O)N1CC[S@](=O)C(C)(C)C1
CC(C)CC(C)(C)C(=O)N1CC[S@](=O)C(C)(C)C1 CC(C)C[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)C(C)(C)[*:1]
CCc1cnc(CN(C)C(=O)[C@H](C)n2c(=O)oc3ccccc32)s1 CCc1cnc(C[*:1])s1 C[C@@H](C(=O)N(C)[*:1])n1c(=O)oc2ccccc21
CCc1cnc(CN(C)C(=O)[C@H](C)n2c(=O)oc3ccccc32)s1 CCc1cnc(s1)[*:1] C[C@@H](C(=O)N(C)C[*:1])n1c(=O)oc2ccccc21
O=C1CCSC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)N1 c1ccc(cc1)C[*:1] O=C1CCSC[C@H](N1)C(=O)N1CCN(CC1)[*:1]
O=C1CCSC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)N1 c1ccc(cc1)[*:1] O=C1CCSC[C@H](N1)C(=O)N1CCN(CC1)C[*:1]
C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccoc3)CC2)C[C@H](C)O1 c1cc(co1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)C1CCN(CC1)C(=O)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)COc1ccccc1F Fc1ccccc1[*:1] CN(Cc1c(F)cccc1Cl)C(=O)CO[*:1]
Brc1ccc(-c2nnc3sc(C[NH+]4CCC5(CC4)OCCO5)cn23)cc1 Brc1ccc(cc1)[*:1] c1c(C[NH+]2CCC3(CC2)OCCO3)sc2nnc(n12)[*:1]
CC[C@H](CSC)NC(=O)Nc1ccc(=O)n(C)c1 CSC[*:1] CC[C@H](NC(=O)Nc1ccc(=O)n(C)c1)[*:1]
CC[C@H](CSC)NC(=O)Nc1ccc(=O)n(C)c1 CC[C@H](CSC)[*:1] Cn1cc(ccc1=O)NC(=O)N[*:1]
CCN(CC)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC NS(=O)(=O)[*:1] CCN(CC)C(=O)Nc1cc(ccc1OC)[*:1]
CC[NH2+][C@@H]1CC[C@@H](SC[C@@H](C)CO)[C@@H]1C C[C@@H](CO)C[*:1] CC[NH2+][C@@H]1CC[C@@H](S[*:1])[C@@H]1C
CC[NH2+][C@@H]1CC[C@@H](SC[C@@H](C)CO)[C@@H]1C C[C@@H](CO)[*:1] CC[NH2+][C@@H]1CC[C@@H](SC[*:1])[C@@H]1C
CO[C@]1(C)C[C@@H](N(C)C(=O)NCCC(=O)N(C)C)C1(C)C CN(C)C(=O)[*:1] CO[C@]1(C)C[C@@H](N(C)C(=O)NCC[*:1])C1(C)C
CO[C@]1(C)C[C@@H](N(C)C(=O)NCCC(=O)N(C)C)C1(C)C CN(C)C(=O)C[*:1] CO[C@]1(C)C[C@@H](N(C)C(=O)NC[*:1])C1(C)C
CO[C@]1(C)C[C@@H](N(C)C(=O)NCCC(=O)N(C)C)C1(C)C CN(C)C(=O)CC[*:1] CO[C@]1(C)C[C@@H](N(C)C(=O)N[*:1])C1(C)C
Cc1cc([C@H]2OCCC[C@H]2C[NH2+]C2CC2)ccc1Br C1CC1[*:1] Cc1cc(ccc1Br)[C@H]1OCCC[C@H]1C[NH2+][*:1]
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1NC(=O)C12CC3CC(CC(C3)C1)C2)[*:1]
C=CC[NH+](CC(=O)[O-])C1CCSCC1 C=CC[*:1] O=C([O-])C[NH+](C1CCSCC1)[*:1]
C=CC[NH+](CC(=O)[O-])C1CCSCC1 O=C([O-])[*:1] C=CC[NH+](C[*:1])C1CCSCC1
C=CC[NH+](CC(=O)[O-])C1CCSCC1 O=C([O-])C[*:1] C=CC[NH+](C1CCSCC1)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNC(=O)Cc1ccsc1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)NNC(=O)Cc1ccsc1)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNC(=O)Cc1ccsc1 c1cc(cs1)C[*:1] Cc1cc(C)c(c(C)c1C(=O)NNC(=O)[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNC(=O)Cc1ccsc1 c1cc(cs1)[*:1] Cc1cc(C)c(c(C)c1C(=O)NNC(=O)C[*:1])[N+](=O)[O-]
O=C(Nc1cccnc1N1CCOCC1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 C1CN(CCO1)[*:1] O=C(Nc1cccnc1[*:1])[C@@]12CC[C@@H](C[C@@H]1Br)C2
Cc1cn(-c2ccccc2)nc1NC(=O)N[C@H]1CCCC[C@H]1CO c1ccc(cc1)[*:1] Cc1cn(nc1NC(=O)N[C@H]1CCCC[C@H]1CO)[*:1]
CCCc1nc2c(o1)NC(N)=C(C#N)[C@@H]2c1ccccc1OCC CCC[*:1] CCOc1ccccc1[C@H]1C(C#N)=C(N)Nc2oc(nc21)[*:1]
CCCc1nc2c(o1)NC(N)=C(C#N)[C@@H]2c1ccccc1OCC CCO[*:1] CCCc1nc2c(NC(N)=C(C#N)[C@@H]2c2ccccc2[*:1])o1
Cc1nc(CNC(=O)c2ccc(C(C)(C)C)cc2)n[nH]1 Cc1nc(n[nH]1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NC[*:1]
Cc1nc(CNC(=O)c2ccc(C(C)(C)C)cc2)n[nH]1 CC(C)(C)[*:1] Cc1nc(CNC(=O)c2ccc(cc2)[*:1])n[nH]1
Cc1ccc(C)c([C@H](C)NC(=O)[C@@](C)(N)C(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(C)c(c1)[C@H](C)NC(=O)[C@@](C)(N)[*:1]
COCCCNC(=O)c1c(C)c2cc(Br)ccc2oc1=O COC[*:1] Cc1c(C(=O)NCC[*:1])c(=O)oc2ccc(Br)cc12
COCCCNC(=O)c1c(C)c2cc(Br)ccc2oc1=O COCCC[*:1] Cc1c(C(=O)N[*:1])c(=O)oc2ccc(Br)cc12
COCCCNC(=O)c1c(C)c2cc(Br)ccc2oc1=O COCC[*:1] Cc1c(C(=O)NC[*:1])c(=O)oc2ccc(Br)cc12
CC[NH+]1CCN(C2(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)CCCCC2)CC1 Cc1cc(ccc1Cl)O[*:1] CC[NH+]1CCN(CC1)C1(CCCCC1)CNC(=O)[C@H](C)[*:1]
CC[NH+]1CCN(C2(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)CCCCC2)CC1 Cc1cc(ccc1Cl)[*:1] CC[NH+]1CCN(CC1)C1(CCCCC1)CNC(=O)[C@H](C)O[*:1]
CCOc1cccc(CNc2nc3ccccc3cc2CO)c1 CCO[*:1] OCc1cc2ccccc2nc1NCc1cccc(c1)[*:1]
COc1cccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)cs2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)-c1nc(cs1)CS(=O)(=O)[*:1]
COc1cccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)cs2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)Cc1csc(n1)[*:1]
[NH3+][C@H](Cc1ccc2ccccc2n1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] [NH3+][C@H](Cc1ccc2ccccc2n1)[*:1]
COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1O COc1cccc(c1O)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)Nc1ccccc1F
COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1O Fc1ccccc1[*:1] COc1cccc(/C=C2/SC(=O)N(CC(=O)N[*:1])C2=O)c1O
CN(Cc1nccs1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 c1csc(n1)[*:1] CN(C[*:1])C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
CN(Cc1nccs1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 c1csc(C[*:1])n1 CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)[*:1]
C[C@H](NC(=O)C(=O)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](NC(=O)C(=O)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1)c1ccc(cc1)[*:1]
COc1ccc(C=O)cc1Oc1ccc([N+](=O)[O-])c(OC(F)F)c1 O=[N+]([O-])[*:1] COc1ccc(C=O)cc1Oc1ccc(c(c1)OC(F)F)[*:1]
COc1ccc(C=O)cc1Oc1ccc([N+](=O)[O-])c(OC(F)F)c1 FC(F)O[*:1] COc1ccc(C=O)cc1Oc1ccc(c(c1)[*:1])[N+](=O)[O-]
COc1ccc(C=O)cc1Oc1ccc([N+](=O)[O-])c(OC(F)F)c1 FC(F)[*:1] COc1ccc(C=O)cc1Oc1ccc(c(c1)O[*:1])[N+](=O)[O-]
O=C([O-])CCC(=O)NCCCO O=C([O-])C[*:1] O=C(C[*:1])NCCCO
O=C([O-])CCC(=O)NCCCO O=C([O-])[*:1] O=C(CC[*:1])NCCCO
O=C([O-])CCC(=O)NCCCO OCC[*:1] O=C([O-])CCC(=O)NC[*:1]
O=C([O-])CCC(=O)NCCCO OCCC[*:1] O=C([O-])CCC(=O)N[*:1]
COc1ccccc1N1CCN(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)CC1 Cc1cccc(C)c1[*:1] COc1ccccc1N1CCN(CC1)C(=O)CN(S(C)(=O)=O)[*:1]
COc1ccccc1N1CCN(C(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)CC1 COc1ccccc1[*:1] Cc1cccc(C)c1N(CC(=O)N1CCN(CC1)[*:1])S(C)(=O)=O
CC[C@@H](O)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 CC[C@@H](O)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccc(cc1)C(F)(F)F
CC[C@@H](O)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] CC[C@@H](O)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1ccc(Cl)cc1C(=O)[O-])c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O O=C([O-])[*:1] O=C(Nc1ccc(Cl)cc1[*:1])c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
O=C(Nc1ccc(Cl)cc1C(=O)[O-])c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O c1coc(c1)C[*:1] O=C(Nc1ccc(Cl)cc1C(=O)[O-])c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C(Nc1ccc(Cl)cc1C(=O)[O-])c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O O=C([O-])c1cc(Cl)ccc1[*:1] O=C(N[*:1])c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
O=C(Nc1ccc(Cl)cc1C(=O)[O-])c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O c1coc(c1)[*:1] O=C(Nc1ccc(Cl)cc1C(=O)[O-])c1ccc2C(=O)N(C[*:1])C(=O)c2c1
O=C(N[C@@H](CO)c1ccco1)c1cccc(Cl)c1 c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1cccc(Cl)c1
COc1ccccc1NC(=O)C1CCN(C(=O)c2ccnc3[nH]ccc23)CC1 c1cc(c2cc[nH]c2n1)[*:1] COc1ccccc1NC(=O)C1CCN(CC1)C(=O)[*:1]
COc1ccccc1NC(=O)C1CCN(C(=O)c2ccnc3[nH]ccc23)CC1 COc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccnc2[nH]ccc12
OCCOCCN1CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)[*:1] OCCOCCN1CC[NH+](CC1)C[*:1]
OCCOCCN1CC[NH+](CC2CCCCC2)CC1 OCCOCC[*:1] C1CCC(CC1)C[NH+]1CCN(CC1)[*:1]
OCCOCCN1CC[NH+](CC2CCCCC2)CC1 OCCO[*:1] C1CCC(CC1)C[NH+]1CCN(CC1)CC[*:1]
OCCOCCN1CC[NH+](CC2CCCCC2)CC1 OCC[*:1] C1CCC(CC1)C[NH+]1CCN(CCO[*:1])CC1
OCCOCCN1CC[NH+](CC2CCCCC2)CC1 OCCOC[*:1] C1CCC(CC1)C[NH+]1CCN(CC1)C[*:1]
CC[C@@H]([NH2+][C@H](C)C1CCC1)c1cnn(C)c1 C1CC(C1)[*:1] CC[C@@H]([NH2+][C@H](C)[*:1])c1cnn(C)c1
BrC#Cc1ccccc1 BrC#C[*:1] c1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)N(C)C2CCCCCC2)s1 Cc1ccc(s1)[*:1] CN(C(=O)NC[*:1])C1CCCCCC1
COc1ccc(/C=C(\NC(=O)/C=C/c2ccccc2)C(=O)Nc2nccs2)cc1 O=C(Nc1nccs1)[*:1] COc1ccc(/C=C(\NC(=O)/C=C/c2ccccc2)[*:1])cc1
COc1ccc(/C=C(\NC(=O)/C=C/c2ccccc2)C(=O)Nc2nccs2)cc1 COc1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1)NC(=C[*:1])C(=O)Nc1nccs1
COc1ccc(/C=C(\NC(=O)/C=C/c2ccccc2)C(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] COc1ccc(/C=C(\NC(=O)/C=C/c2ccccc2)C(=O)N[*:1])cc1
COc1ccc(/C=C(\NC(=O)/C=C/c2ccccc2)C(=O)Nc2nccs2)cc1 C(=C[*:1])c1ccccc1 COc1ccc(/C=C(\NC(=O)[*:1])C(=O)Nc2nccs2)cc1
COc1ccc(/C=C(\NC(=O)/C=C/c2ccccc2)C(=O)Nc2nccs2)cc1 c1ccc(cc1)[*:1] COc1ccc(/C=C(\NC(=O)C=C[*:1])C(=O)Nc2nccs2)cc1
CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Nc2ccc3c(c2)CC(=O)N3)cc1 CCc1ccc(cc1)[*:1] C[C@@H](Nc1ccc2NC(=O)Cc2c1)C(=O)N[C@H](C)[*:1]
CCC(=O)N1CCC([NH2+]C[C@H](C)c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)[NH2+]C[C@H](C)[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 Clc1ccc(cc1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccc1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 COC[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccccc1)c1ccc(Cl)cc1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 O=C(c1ccc(Cl)cc1)[*:1] COCCCN1C(=O)C([O-])=C([C@@H]1c1ccccc1)[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 COCC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1)c1ccc(Cl)cc1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 COCCC[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccccc1)[*:1])c1ccc(Cl)cc1
CN[C@@]1(C#N)CC[C@H](Oc2cc(C)c([N+](=O)[O-])cc2C)C1 O=[N+]([O-])[*:1] CN[C@@]1(C#N)CC[C@@H](C1)Oc1cc(C)c(cc1C)[*:1]
Cc1ccc(O[C@H](C)C(=O)NC2CCCC2)c(Br)c1 C1CCC(C1)[*:1] Cc1ccc(O[C@H](C)C(=O)N[*:1])c(Br)c1
O=C([O-])CNC(=O)c1ccc(Cl)cc1Cl O=C([O-])[*:1] O=C(NC[*:1])c1ccc(Cl)cc1Cl
O=C([O-])CNC(=O)c1ccc(Cl)cc1Cl O=C([O-])C[*:1] O=C(N[*:1])c1ccc(Cl)cc1Cl
Cc1c([C@H](C)[NH2+]CCC(=O)NC2CC2)oc2ccccc12 O=C(NC1CC1)[*:1] Cc1c(oc2ccccc12)[C@H](C)[NH2+]CC[*:1]
Cc1c([C@H](C)[NH2+]CCC(=O)NC2CC2)oc2ccccc12 C1CC1[*:1] Cc1c(oc2ccccc12)[C@H](C)[NH2+]CCC(=O)N[*:1]
Cc1c([C@H](C)[NH2+]CCC(=O)NC2CC2)oc2ccccc12 O=C(C[*:1])NC1CC1 Cc1c(oc2ccccc12)[C@H](C)[NH2+]C[*:1]
C[C@H]1CC=C(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)S1 Fc1ccccc1[*:1] C[C@H]1CC=C(S1)C(=O)CSc1nc(n[nH]1)[*:1]
Cc1cc(=O)c(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c[nH]1 FC(F)(F)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
Cc1cc(Cl)ccc1OCc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] Cc1cc(Cl)ccc1OCc1ccc(cc1)[*:1]
CCOC(=O)CN(C)C(=O)Cc1ccc(-n2cnnn2)cc1 CCOC(=O)[*:1] CN(C[*:1])C(=O)Cc1ccc(cc1)-n1cnnn1
CCOC(=O)CN(C)C(=O)Cc1ccc(-n2cnnn2)cc1 CCOC(=O)C[*:1] CN(C(=O)Cc1ccc(cc1)-n1cnnn1)[*:1]
CCOC(=O)CN(C)C(=O)Cc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] CCOC(=O)CN(C)C(=O)Cc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)NNc2ccccc2Cl)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NNc1ccccc1Cl
CC(=O)c1ccc(NC(=O)NNc2ccccc2Cl)cc1C Clc1ccccc1[*:1] CC(=O)c1ccc(cc1C)NC(=O)NN[*:1]
O=C(NNC(=O)Nc1cccc(F)c1)Nc1ccc(OC(F)F)cc1 Fc1cccc(c1)[*:1] O=C(NNC(=O)N[*:1])Nc1ccc(cc1)OC(F)F
O=C(NNC(=O)Nc1cccc(F)c1)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(NNC(=O)Nc1cccc(F)c1)Nc1ccc(cc1)O[*:1]
O=C(NNC(=O)Nc1cccc(F)c1)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(NNC(=O)Nc1cccc(F)c1)Nc1ccc(cc1)[*:1]
COC(=O)c1cccc(NC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 COC(=O)[*:1] O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1cccc(c1)[*:1]
COC(=O)c1cccc(NC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 Fc1ccc(cc1)[*:1] COC(=O)c1cccc(c1)NC(=O)Cn1cnc2scc(c2c1=O)[*:1]
COC(=O)c1cccc(NC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 COC(=O)c1cccc(c1)[*:1] O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N[*:1]
COCCS(=O)(=O)Oc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] COCCS(=O)(=O)Oc1ccc(cc1)[*:1]
COCCS(=O)(=O)Oc1ccc(-n2cncn2)cc1 COCC[*:1] O=S(=O)(Oc1ccc(cc1)-n1cncn1)[*:1]
COCCS(=O)(=O)Oc1ccc(-n2cncn2)cc1 COC[*:1] O=S(=O)(C[*:1])Oc1ccc(cc1)-n1cncn1
C[C@H]1CCN(C(=O)CCC2CCCCC2)C[C@@H]1O C1CCC(CC1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)CC[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)ccn1 CC(C)(C)[*:1] CC(C)(C)c1cc(NC(=O)c2ccnc(c2)O[*:1])n(n1)-c1ncccn1
CC(C)(C)Oc1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)ccn1 CC(C)(C)O[*:1] CC(C)(C)c1cc(NC(=O)c2ccnc(c2)[*:1])n(n1)-c1ncccn1
CC(C)(C)Oc1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)ccn1 CC(C)(C)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)Nc1cc(nn1-c1ncccn1)[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)ccn1 c1cnc(nc1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)Nc1cc(nn1[*:1])C(C)(C)C
CCCC(=O)Nc1ccc(CNC(=O)c2cc3c(nc4sccn43)s2)cc1 CCCC(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc2c(nc3sccn32)s1
CCCC(=O)Nc1ccc(CNC(=O)c2cc3c(nc4sccn43)s2)cc1 CCC[*:1] O=C(NCc1ccc(cc1)NC(=O)[*:1])c1cc2c(nc3sccn32)s1
COC(=O)CCN(C)C(=O)c1ccc(-n2nc(C)cc2C)nc1 COC(=O)C[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N(C)C[*:1]
COC(=O)CCN(C)C(=O)c1ccc(-n2nc(C)cc2C)nc1 COC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N(C)CC[*:1]
COC(=O)CCN(C)C(=O)c1ccc(-n2nc(C)cc2C)nc1 COC(=O)CC[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N(C)[*:1]
COC(=O)CCN(C)C(=O)c1ccc(-n2nc(C)cc2C)nc1 Cc1cc(C)n(n1)[*:1] COC(=O)CCN(C)C(=O)c1ccc(nc1)[*:1]
O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(Cl)cc1 O=C(N[*:1])c1ccco1 O=C(NC(=S)Nc1ccc(c(Cl)c1)[*:1])c1ccc(Cl)cc1
O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1Cl)NC(=S)NC(=O)[*:1])c1ccco1
O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(Cl)cc1 c1coc(c1)[*:1] O=C(NC(=S)Nc1ccc(NC(=O)[*:1])c(Cl)c1)c1ccc(Cl)cc1
NC(=O)CSc1nnc(Sc2ncnc3sc4c(c23)CCCC4)s1 NC(=O)CS[*:1] c1nc(Sc2nnc(s2)[*:1])c2c3CCCCc3sc2n1
NC(=O)CSc1nnc(Sc2ncnc3sc4c(c23)CCCC4)s1 NC(=O)[*:1] c1nc(Sc2nnc(SC[*:1])s2)c2c3CCCCc3sc2n1
NC(=O)CSc1nnc(Sc2ncnc3sc4c(c23)CCCC4)s1 NC(=O)C[*:1] c1nc(Sc2nnc(S[*:1])s2)c2c3CCCCc3sc2n1
CCN(Cc1ccc(OC)c(OC)c1)C(=O)NCc1cc(C#N)ccc1F N#Cc1ccc(F)c(c1)[*:1] CCN(Cc1ccc(OC)c(c1)OC)C(=O)NC[*:1]
C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1cccs1 NC(=O)[*:1] C[C@@H]([NH2+]C[C@H]1CC[C@H](O1)[*:1])c1cccs1
C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1cccs1 c1csc(c1)[*:1] C[C@@H]([NH2+]C[C@H]1CC[C@@H](O1)C(N)=O)[*:1]
C[C@H](NCCc1cccc2cccnc12)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] C[C@H](NCCc1cccc2cccnc12)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCc3ccccc3C2)cc1 CCO[*:1] CCN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCc3ccccc3C2)cc1 CCOc1ccc(cc1)[*:1] CCN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)[*:1]
CCOc1cccc(CNC(=O)Nc2ccc(Br)nc2C)c1 CCO[*:1] Cc1nc(Br)ccc1NC(=O)NCc1cccc(c1)[*:1]
COc1ccccc1NC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1NC(=O)N[C@@H](Cc1ccc(C)cc1)[*:1]
COc1ccccc1NC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)N[C@@H](C[*:1])c1ccccn1
COc1ccccc1NC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 COc1ccccc1[*:1] Cc1ccc(cc1)C[C@H](NC(=O)N[*:1])c1ccccn1
COc1ccccc1NC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 Cc1ccc(cc1)C[*:1] COc1ccccc1NC(=O)N[C@@H](c1ccccn1)[*:1]
COC(=O)/C(C#N)=C\c1cnc(-c2ccsc2)s1 COC(=O)[*:1] N#CC(=Cc1cnc(s1)-c1ccsc1)[*:1]
COC(=O)/C(C#N)=C\c1cnc(-c2ccsc2)s1 c1cc(cs1)[*:1] COC(=O)/C(C#N)=C\c1cnc(s1)[*:1]
Cc1c(CN2CC[S@](=O)C(C)(C)C2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(CN2CC[S@](=O)C(C)(C)C2)c(=O)n(n1C)[*:1]
CCc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)sc1C CCc1cc(sc1C)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCCC1)[*:1]
CCCNC(=O)c1nnn(-c2ccc(C)cc2)c1COC CCCNC(=O)[*:1] COCc1c(nnn1-c1ccc(C)cc1)[*:1]
CCCNC(=O)c1nnn(-c2ccc(C)cc2)c1COC Cc1ccc(cc1)[*:1] CCCNC(=O)c1nnn(c1COC)[*:1]
CCCNC(=O)c1nnn(-c2ccc(C)cc2)c1COC CCC[*:1] COCc1c(nnn1-c1ccc(C)cc1)C(=O)N[*:1]
CCCNC(=O)c1nnn(-c2ccc(C)cc2)c1COC COC[*:1] CCCNC(=O)c1nnn(-c2ccc(C)cc2)c1[*:1]
Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCc2ccccc2)C1
Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)[C@H]1CC(=O)N(CC[*:1])C1
Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 c1ccc(cc1)CC[*:1] Cc1cccc(c1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)Nc3ccccc3C)cc21 Cc1ccccc1[*:1] CC(=O)N1C[C@H](C)Sc2ccc(cc21)S(=O)(=O)N[*:1]
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2C)cc1OCC C#CC[*:1] CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1O[*:1]
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2C)cc1OCC CCO[*:1] C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2C)cc1[*:1]
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2C)cc1OCC C#CCO[*:1] CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1[*:1]
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2C)cc1OCC Cc1ccccc1[*:1] C#CCOc1c(Br)cc(/C=N/NC(=O)[*:1])cc1OCC
CNC(=O)NC(=O)[C@H](Sc1nncs1)c1ccccc1 c1nnc(S[*:1])s1 CNC(=O)NC(=O)[C@H](c1ccccc1)[*:1]
CNC(=O)NC(=O)[C@H](Sc1nncs1)c1ccccc1 c1nnc(s1)[*:1] CNC(=O)NC(=O)[C@H](S[*:1])c1ccccc1
CNC(=O)NC(=O)[C@H](Sc1nncs1)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@H](Sc1nncs1)[*:1]
CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(C)c(F)c1 CC[C@@H](C)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N[*:1]
CC(=O)NCC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] CC(=O)N[*:1] O=C(COC(=O)C[*:1])Nc1ccccc1[N+](=O)[O-]
CC(=O)NCC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=O)NCC(=O)OCC(=O)Nc1ccccc1[*:1]
CC(=O)NCC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] CC(=O)NC[*:1] O=C(COC(=O)[*:1])Nc1ccccc1[N+](=O)[O-]
Cc1cc(CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)no1 Oc1cccc(c1)[*:1] Cc1cc(CC(=O)N2CCN(CC2)C(=O)[*:1])no1
Cc1cc(CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)no1 Cc1cc(no1)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1cccc(O)c1
Cc1cc(CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)no1 Cc1cc(C[*:1])no1 O=C(c1cccc(O)c1)N1CCN(CC1)C(=O)[*:1]
Cc1nc(-c2ccccc2)ccc1C(=O)N(C)C1CCS(=O)(=O)CC1 O=S1(=O)CCC(CC1)[*:1] Cc1nc(ccc1C(=O)N(C)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)ccc1C(=O)N(C)C1CCS(=O)(=O)CC1 c1ccc(cc1)[*:1] Cc1nc(ccc1C(=O)N(C)C1CCS(=O)(=O)CC1)[*:1]
C#CCN1CCN(CC#Cc2ccccc2Cl)CC1 C#CC[*:1] Clc1ccccc1C#CCN1CCN(CC1)[*:1]
O=S(=O)(c1ccc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1)C(F)F C1CN(CCO1)[*:1] O=S(=O)(c1ccc(cc1)NC[C@@H](c1ccccc1Cl)[*:1])C(F)F
O=S(=O)(c1ccc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1)C(F)F Clc1ccccc1[*:1] O=S(=O)(c1ccc(cc1)NC[C@@H](N1CCOCC1)[*:1])C(F)F
O=S(=O)(c1ccc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1)C(F)F FC(F)[*:1] O=S(=O)(c1ccc(cc1)NC[C@@H](c1ccccc1Cl)N1CCOCC1)[*:1]
O=S(=O)(c1ccc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1)C(F)F O=S(=O)(C(F)F)[*:1] Clc1ccccc1[C@H](CNc1ccc(cc1)[*:1])N1CCOCC1
Cc1ccc(NC(=O)N(C)CCC#N)c(OCC(F)(F)F)c1 N#CCC[*:1] Cc1ccc(NC(=O)N(C)[*:1])c(c1)OCC(F)(F)F
Cc1ccc(NC(=O)N(C)CCC#N)c(OCC(F)(F)F)c1 FC(F)(F)C[*:1] Cc1ccc(NC(=O)N(C)CCC#N)c(c1)O[*:1]
Cc1ccc(NC(=O)N(C)CCC#N)c(OCC(F)(F)F)c1 N#CC[*:1] Cc1ccc(NC(=O)N(C)C[*:1])c(c1)OCC(F)(F)F
Cc1ccc(NC(=O)N(C)CCC#N)c(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] Cc1ccc(NC(=O)N(C)CCC#N)c(c1)[*:1]
Cc1ccc(NC(=O)N(C)CCC#N)c(OCC(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(NC(=O)N(C)CCC#N)c(c1)OC[*:1]
COc1cc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])CN(C)C(=O)c1ccc2SCC(=O)Nc2c1
COc1cc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])CN(C)C(=O)c1ccc2SCC(=O)Nc2c1
C[C@H](NCc1cccc(N(C)C)[nH+]1)c1c(F)cccc1N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](NCc1cccc([nH+]1)N(C)C)c1c(F)cccc1[*:1]
C[C@H](NCc1cccc(N(C)C)[nH+]1)c1c(F)cccc1N1CCOCC1 CN(C)[*:1] C[C@H](NCc1cccc([nH+]1)[*:1])c1c(F)cccc1N1CCOCC1
C[C@H](CNCc1cccc(F)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNCc1cccc(F)c1)[*:1]
Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)nn12 N#Cc1ccccc1[*:1] Cc1ccnc2nc(nn12)C(=O)O[C@H](C)C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 CC(=O)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)N[*:1]
CC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 Cc1nccn1[*:1] CC(=O)c1ccc(cc1)NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1nccc(C2CC[NH+](CC(N)=O)CC2)n1 NC(=O)C[*:1] Cc1nccc(n1)C1CC[NH+](CC1)[*:1]
Cc1nccc(C2CC[NH+](CC(N)=O)CC2)n1 NC(=O)[*:1] Cc1nccc(n1)C1CC[NH+](CC1)C[*:1]
C#CCN1C(=O)c2ccccc2N[C@H]1C1=Cc2ccccc2OC1 C#CC[*:1] O=C1c2ccccc2N[C@@H](C2=Cc3ccccc3OC2)N1[*:1]
Nc1c(-c2nc(-c3ccc(Br)cc3)no2)nnn1-c1cccc(F)c1 Brc1ccc(cc1)[*:1] Nc1c(nnn1-c1cccc(F)c1)-c1nc(no1)[*:1]
Nc1c(-c2nc(-c3ccc(Br)cc3)no2)nnn1-c1cccc(F)c1 Fc1cccc(c1)[*:1] Nc1c(nnn1[*:1])-c1nc(no1)-c1ccc(Br)cc1
O=[N+]([O-])c1cccc(-c2nc(CN3CCOCC34CCCC4)cs2)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])-c1nc(cs1)CN1CCOCC12CCCC2
CCOCCN(C)C(=O)N[C@H](C)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CCOCCN(C)C(=O)N[C@H](C)C(C)(C)[*:1]
CCOCCN(C)C(=O)N[C@H](C)C(C)(C)c1ccccc1 CCO[*:1] C[C@@H](NC(=O)N(C)CC[*:1])C(C)(C)c1ccccc1
CCOCCN(C)C(=O)N[C@H](C)C(C)(C)c1ccccc1 CCOCC[*:1] C[C@@H](NC(=O)N(C)[*:1])C(C)(C)c1ccccc1
CCOCCN(C)C(=O)N[C@H](C)C(C)(C)c1ccccc1 CCOC[*:1] C[C@@H](NC(=O)N(C)C[*:1])C(C)(C)c1ccccc1
CC[C@H]([NH2+][C@@H](C)c1cnc2cc(C)nn2c1C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@H]([NH2+][C@@H](C)c1cnc2cc(C)nn2c1C)[*:1]
Cc1c(S(=O)(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)cnn1C FC(F)[*:1] Cc1c(cnn1C)S(=O)(=O)N1N=C(C[C@@]1(O)C(F)F)[*:1]
Cc1c(S(=O)(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)cnn1C FC(F)[*:1] Cc1c(cnn1C)S(=O)(=O)N1N=C(C[C@]1(O)[*:1])C(F)F
Cc1c(S(=O)(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)cnn1C Cc1c(cnn1C)[*:1] O=S(=O)(N1N=C(C[C@@]1(O)C(F)F)C(F)F)[*:1]
CCNC(=O)c1ccnc(C[C@H]2COc3c(cccc3OC)C2)c1 CCNC(=O)[*:1] COc1cccc2C[C@H](COc21)Cc1cc(ccn1)[*:1]
CCC[NH2+][C@@H](Cc1[nH+]ccn1CC)c1c(F)cccc1F CCC[*:1] CCn1cc[nH+]c1C[C@H]([NH2+][*:1])c1c(F)cccc1F
CC[C@H](C)C(=O)Nc1cccc(F)c1C#N CC[C@H](C)[*:1] N#Cc1c(F)cccc1NC(=O)[*:1]
CC(C)N(C[C@@H]1CCCCO1)S(=O)(=O)c1cccc2nsnc12 C1CC[C@H](OC1)[*:1] CC(C)N(C[*:1])S(=O)(=O)c1cccc2nsnc12
CC(C)N(C[C@@H]1CCCCO1)S(=O)(=O)c1cccc2nsnc12 CC(C)[*:1] O=S(=O)(c1cccc2nsnc12)N(C[C@@H]1CCCCO1)[*:1]
CC(C)N(C[C@@H]1CCCCO1)S(=O)(=O)c1cccc2nsnc12 C1CC[C@@H](C[*:1])OC1 CC(C)N(S(=O)(=O)c1cccc2nsnc12)[*:1]
COc1ccccc1N1C[C@@H](C(=O)N2CCNC(=O)CC2)CC1=O COc1ccccc1[*:1] O=C1CCN(CCN1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@H]1CC[NH2+][C@@H](C(C)(C)C)CN1Cc1nccs1 c1csc(C[*:1])n1 C[C@H]1CC[NH2+][C@H](CN1[*:1])C(C)(C)C
C[C@H]1CC[NH2+][C@@H](C(C)(C)C)CN1Cc1nccs1 c1csc(n1)[*:1] C[C@H]1CC[NH2+][C@H](CN1C[*:1])C(C)(C)C
C[C@H]1CC[NH2+][C@@H](C(C)(C)C)CN1Cc1nccs1 CC(C)(C)[*:1] C[C@H]1CC[NH2+][C@@H](CN1Cc1nccs1)[*:1]
Cc1ccc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1ccc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(n1)[*:1]
COC(=O)CN(CC#N)S(=O)(=O)c1cc(C)c(C)s1 N#CC[*:1] COC(=O)CN(S(=O)(=O)c1cc(C)c(C)s1)[*:1]
COC(=O)CN(CC#N)S(=O)(=O)c1cc(C)c(C)s1 COC(=O)[*:1] Cc1cc(sc1C)S(=O)(=O)N(CC#N)C[*:1]
COC(=O)CN(CC#N)S(=O)(=O)c1cc(C)c(C)s1 COC(=O)C[*:1] Cc1cc(sc1C)S(=O)(=O)N(CC#N)[*:1]
O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(N2CCNC2=O)cc1 FC(F)(F)[*:1] O=C(Nc1n[n-]c(n1)[*:1])c1ccc(cc1)N1CCNC1=O
O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(N2CCNC2=O)cc1 O=C1NCCN1[*:1] O=C(Nc1n[n-]c(n1)C(F)(F)F)c1ccc(cc1)[*:1]
CCCCNC(=O)NC(=O)CN1CCOc2ccc(F)cc21 CCC[*:1] O=C(CN1CCOc2ccc(F)cc21)NC(=O)NC[*:1]
CCCCNC(=O)NC(=O)CN1CCOc2ccc(F)cc21 CCCC[*:1] O=C(CN1CCOc2ccc(F)cc21)NC(=O)N[*:1]
Nc1ccc(S[C@@H](C(=O)[O-])C2CC2)cc1F O=C([O-])[*:1] Nc1ccc(cc1F)S[C@@H](C1CC1)[*:1]
Nc1ccc(S[C@@H](C(=O)[O-])C2CC2)cc1F C1CC1[*:1] Nc1ccc(cc1F)S[C@@H](C(=O)[O-])[*:1]
C[C@@H](CBr)Cn1ccnc1C#N C[C@@H](CBr)[*:1] N#Cc1nccn1C[*:1]
CCCNC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 CCC[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)N[*:1]
CCCNC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 CCO[*:1] CCCNC(=O)Nc1cc2O[C@H](C)Cc2cc1[*:1]
O=C(Nc1ccc(N2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1)c1cccc(F)c1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)N1CCCN(CC1)C(=O)CO[*:1])c1cccc(F)c1
O=C(Nc1ccc(N2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1)c1cccc(F)c1 Clc1ccc(cc1)O[*:1] O=C(Nc1ccc(nc1)N1CCCN(CC1)C(=O)C[*:1])c1cccc(F)c1
O=C(Nc1ccc(N2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1)c1cccc(F)c1 Clc1ccc(cc1)OC[*:1] O=C(Nc1ccc(nc1)N1CCCN(CC1)C(=O)[*:1])c1cccc(F)c1
O=C(Nc1ccc(N2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(COc1ccc(Cl)cc1)N1CCCN(CC1)c1ccc(cn1)NC(=O)[*:1]
O=C(Nc1ccc(N2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1)c1cccc(F)c1 O=C(N[*:1])c1cccc(F)c1 O=C(COc1ccc(Cl)cc1)N1CCCN(CC1)c1ccc(cn1)[*:1]
O=C(c1cccc(Br)c1)N1CCN(c2cccc[nH+]2)CC1 Brc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1cccc[nH+]1)[*:1]
Cn1ncnc1CSc1nc2cc(C(F)(F)F)ccc2[nH]1 FC(F)(F)[*:1] Cn1ncnc1CSc1nc2cc(ccc2[nH]1)[*:1]
Cn1ncnc1CSc1nc2cc(C(F)(F)F)ccc2[nH]1 Cn1ncnc1[*:1] FC(F)(F)c1ccc2[nH]c(nc2c1)SC[*:1]
Cn1ncnc1CSc1nc2cc(C(F)(F)F)ccc2[nH]1 Cn1ncnc1C[*:1] FC(F)(F)c1ccc2[nH]c(nc2c1)S[*:1]
CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])c2cnccc12 CN(C)C(=O)C[*:1] CN(c1ccc(c2cnccc12)[N+](=O)[O-])[*:1]
CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])c2cnccc12 CN(C)C(=O)[*:1] CN(C[*:1])c1ccc(c2cnccc12)[N+](=O)[O-]
CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])c2cnccc12 O=[N+]([O-])[*:1] CN(C)C(=O)CN(C)c1ccc(c2cnccc12)[*:1]
CC[C@@H](C(=O)Nc1sc(C)c(C)c1C(N)=O)n1c(=O)cc(C)c2cccc(OC)c21 Cc1sc(c(C(N)=O)c1C)[*:1] CC[C@@H](C(=O)N[*:1])n1c(=O)cc(C)c2cccc(OC)c21
CC[C@@H](C(=O)Nc1sc(C)c(C)c1C(N)=O)n1c(=O)cc(C)c2cccc(OC)c21 NC(=O)[*:1] CC[C@@H](C(=O)Nc1sc(C)c(C)c1[*:1])n1c(=O)cc(C)c2cccc(OC)c21
C[C@H]([NH3+])c1cccnc1Cl C[C@H]([NH3+])[*:1] Clc1ncccc1[*:1]
CCCCOc1ccccc1NCc1cnc(Cl)s1 Clc1ncc(s1)[*:1] CCCCOc1ccccc1NC[*:1]
CCCCOc1ccccc1NCc1cnc(Cl)s1 CCCC[*:1] Clc1ncc(CNc2ccccc2O[*:1])s1
CCCCOc1ccccc1NCc1cnc(Cl)s1 CCC[*:1] Clc1ncc(CNc2ccccc2OC[*:1])s1
CCCCOc1ccccc1NCc1cnc(Cl)s1 CCCCO[*:1] Clc1ncc(CNc2ccccc2[*:1])s1
C=CCNC(=O)N(C)[C@@H](C)c1ccccc1F C=CC[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)N[*:1]
Cc1ccccc1C(=O)NCCC(=O)OC1CCCC1 C1CCC(C1)[*:1] Cc1ccccc1C(=O)NCCC(=O)O[*:1]
CCCCn1c([S@@](=O)CC(=O)N2[C@@H](C)CCC[C@H]2C)n[nH]c1=O CCCC[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)C[S@](=O)c1n[nH]c(=O)n1[*:1]
CCCCn1c([S@@](=O)CC(=O)N2[C@@H](C)CCC[C@H]2C)n[nH]c1=O CCC[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)C[S@](=O)c1n[nH]c(=O)n1C[*:1]
COc1cc(NC(=O)C[S@](=O)Cc2c(C)nn(C)c2Cl)cc(OC)c1 Cc1nn(C)c(Cl)c1[*:1] COc1cc(cc(c1)OC)NC(=O)C[S@](=O)C[*:1]
CCC[C@H](C)[NH2+]C[C@H]1C[NH+]2CCN1CC2 CCC[C@H](C)[*:1] C([NH2+][*:1])[C@H]1C[NH+]2CCN1CC2
CCC[C@H](C)[NH2+]C[C@H]1C[NH+]2CCN1CC2 CCC[*:1] C[C@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)[*:1]
COc1ccccc1C(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)[*:1] COc1ccccc1C(=O)Nc1ccc(O[*:1])c(F)c1
COc1ccccc1C(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)O[*:1] COc1ccccc1C(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 CC(C)[*:1] CN1CCN(C(=O)[C@@H]2CC(=O)N(C2)CC(F)(F)F)[C@H](C1)[*:1]
CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
C[C@H]1CO[C@H](CO)CN1Cc1cnc(C(C)(C)C)s1 CC(C)(C)[*:1] C[C@H]1CO[C@H](CO)CN1Cc1cnc(s1)[*:1]
Cc1noc(C)c1C[S@@](=O)[C@H](C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1noc(C)c1C[S@@](=O)[C@H](C)C(=O)N[*:1]
CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1C(C)C CC(C)[*:1] CC(C)n1c(cc2c1ccn2-c1ccc(F)cc1)C(=O)O[*:1]
CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1C(C)C CC(C)[*:1] CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1[*:1]
CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1C(C)C CC(C)OC(=O)[*:1] CC(C)n1c(cc2c1ccn2-c1ccc(F)cc1)[*:1]
CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1C(C)C Fc1ccc(cc1)[*:1] CC(C)OC(=O)c1cc2c(ccn2[*:1])n1C(C)C
N#C[C@@H]1CN(c2ccccc2C(=O)[O-])CCO1 O=C([O-])[*:1] N#C[C@@H]1CN(CCO1)c1ccccc1[*:1]
COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1=O COc1ccc(Cl)cc1[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1=O c1coc(c1)[*:1] COc1ccc(Cl)cc1N1C[C@H](CC1=O)C(=O)NC[C@@H]([NH+]1CCCCC1)[*:1]
CC[C@H](O)[C@@H](C)c1ccc(-c2ccccc2)cc1 CC[C@H](O)[*:1] C[C@@H](c1ccc(cc1)-c1ccccc1)[*:1]
CC[C@H](O)[C@@H](C)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC[C@H](O)[C@@H](C)c1ccc(cc1)[*:1]
CC(=O)Nc1cccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 O=S(=O)(N1CCOCC1)[*:1] CC(=O)Nc1cccc(c1)NCC(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(CN[*:1])Nc1cccc(c1)S(=O)(=O)N1CCOCC1
CC(=O)Nc1cccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 CC(=O)N[*:1] O=C(CNc1cccc(c1)[*:1])Nc1cccc(c1)S(=O)(=O)N1CCOCC1
CCc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCCC4)cc(=O)c2c1 c1coc(c1)C[*:1] CCc1ccc2oc(cc(=O)c2c1)C(=O)Nc1sc2CCCCc2c1C(=O)N[*:1]
CCc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCCC4)cc(=O)c2c1 c1coc(c1)[*:1] CCc1ccc2oc(cc(=O)c2c1)C(=O)Nc1sc2CCCCc2c1C(=O)NC[*:1]
CCc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCCC4)cc(=O)c2c1 O=C(NCc1ccco1)[*:1] CCc1ccc2oc(cc(=O)c2c1)C(=O)Nc1sc2CCCCc2c1[*:1]
Fc1ccc(-n2c(C[NH+]3CCCCC3)nnc2SCc2ncc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)-n1c(C[NH+]2CCCCC2)nnc1SCc1ncc(o1)[*:1]
Fc1ccc(-n2c(C[NH+]3CCCCC3)nnc2SCc2ncc(-c3ccccc3)o2)cc1 Fc1ccc(cc1)[*:1] c1ccc(cc1)-c1cnc(CSc2nnc(C[NH+]3CCCCC3)n2[*:1])o1
CN(CC#N)C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 N#CC[*:1] CN(C(=O)c1sc(cc1OCC(=O)N1CCCCC1)-c1ccccc1)[*:1]
CN(CC#N)C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 c1ccc(cc1)[*:1] CN(CC#N)C(=O)c1sc(cc1OCC(=O)N1CCCCC1)[*:1]
CN(CC#N)C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CN(CC#N)C(=O)c1sc(cc1OC[*:1])-c1ccccc1
CN(CC#N)C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 CN(CC#N)C(=O)[*:1] O=C(COc1cc(sc1[*:1])-c1ccccc1)N1CCCCC1
CN(CC#N)C(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 O=C(C[*:1])N1CCCCC1 CN(CC#N)C(=O)c1sc(cc1O[*:1])-c1ccccc1
O=C([O-])c1cc(/N=C/c2ccc([N+](=O)[O-])cc2)ccc1O O=C([O-])[*:1] O=[N+]([O-])c1ccc(/C=N/c2ccc(O)c(c2)[*:1])cc1
O=C([O-])c1cc(/N=C/c2ccc([N+](=O)[O-])cc2)ccc1O O=[N+]([O-])[*:1] O=C([O-])c1cc(ccc1O)/N=C/c1ccc(cc1)[*:1]
COC(=O)[C@@H]1CN(Cc2c[nH]nc2-c2cccnc2)CCO1 c1cncc(c1)[*:1] COC(=O)[C@@H]1CN(CCO1)Cc1c[nH]nc1[*:1]
COC(=O)[C@@H]1CN(Cc2c[nH]nc2-c2cccnc2)CCO1 COC(=O)[*:1] c1cncc(c1)-c1n[nH]cc1CN1CCO[C@@H](C1)[*:1]
CC(C)CN(NC(=O)OC(C)(C)C)C(=O)[O-] CC(C)(C)[*:1] CC(C)CN(NC(=O)O[*:1])C(=O)[O-]
CC(C)CN(NC(=O)OC(C)(C)C)C(=O)[O-] CC(C)C[*:1] CC(C)(C)OC(=O)NN(C(=O)[O-])[*:1]
CC(C)CN(NC(=O)OC(C)(C)C)C(=O)[O-] CC(C)[*:1] CC(C)(C)OC(=O)NN(C[*:1])C(=O)[O-]
COc1ccc([C@H](CNC(=O)c2cc(Br)ccc2F)[NH+]2CCCC2)cc1 Fc1ccc(Br)cc1[*:1] COc1ccc(cc1)[C@H](CNC(=O)[*:1])[NH+]1CCCC1
COc1ccc([C@H](CNC(=O)c2cc(Br)ccc2F)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1cc(Br)ccc1F
COC(=O)c1cc2ccccc2cc1NC(=O)[C@H]1CCO[C@H]1C COC(=O)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cc2ccccc2cc1[*:1]
CCN(CC)S(=O)(=O)N1CCc2nc([C@H]3CCCN3C(C)=O)nc(NC)c2C1 CC(=O)N1CCC[C@@H]1[*:1] CCN(CC)S(=O)(=O)N1CCc2nc(nc(NC)c2C1)[*:1]
Fc1ccccc1C1(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)CCCC1 Fc1ccccc1[*:1] C1CCC(C1)(C[NH2+][C@@H]1CCOC2(CCOCC2)C1)[*:1]
CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 CCCC[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 O=S(=O)(N1CCCC1)[*:1] CCCCc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
Cc1ccc(NC(=O)[C@@H](C)S(C)(=O)=O)nc1 CS(=O)(=O)[*:1] Cc1ccc(nc1)NC(=O)[C@@H](C)[*:1]
C[C@H]1CN(C[C@H](O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O)Cn2nc(c3ccccc3c2=O)[*:1])C[C@@H](C)O1
CCN(C)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCN(C)S(=O)(=O)N1CCN(CC1)C[*:1]
O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C1c2ccccc2C(=O)N1CCOC(=O)[*:1]
Cc1ocnc1CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ocnc1CNC(=O)N1CCN(CC=C[*:1])CC1
Cc1ocnc1CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 Cc1ocnc1CNC(=O)N1CCN(CC1)C[*:1]
Cc1ocnc1CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 Cc1ocnc1[*:1] O=C(NC[*:1])N1CCN(C/C=C/c2ccccc2)CC1
Cc1ocnc1CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 Cc1ocnc1C[*:1] O=C(N[*:1])N1CCN(C/C=C/c2ccccc2)CC1
C[C@H]1CCc2c(sc3nc(S[C@@H](C)C(=O)Nc4ncccn4)n(-c4ccccc4F)c(=O)c23)C1 Fc1ccccc1[*:1] C[C@H]1CCc2c(C1)sc1nc(S[C@@H](C)C(=O)Nc3ncccn3)n(c(=O)c21)[*:1]
C[C@H]1CCc2c(sc3nc(S[C@@H](C)C(=O)Nc4ncccn4)n(-c4ccccc4F)c(=O)c23)C1 c1cnc(nc1)[*:1] C[C@H]1CCc2c(C1)sc1nc(S[C@@H](C)C(=O)N[*:1])n(-c3ccccc3F)c(=O)c21
C[C@H]1CCc2c(sc3nc(S[C@@H](C)C(=O)Nc4ncccn4)n(-c4ccccc4F)c(=O)c23)C1 O=C(Nc1ncccn1)[*:1] C[C@H]1CCc2c(C1)sc1nc(S[C@@H](C)[*:1])n(-c3ccccc3F)c(=O)c21
Cn1cc(Br)cc1C(=O)N1CCC(Nc2ccccc2)CC1 c1ccc(cc1)N[*:1] Cn1cc(Br)cc1C(=O)N1CCC(CC1)[*:1]
Cn1cc(Br)cc1C(=O)N1CCC(Nc2ccccc2)CC1 Cn1cc(Br)cc1[*:1] O=C(N1CCC(CC1)Nc1ccccc1)[*:1]
Cn1cc(Br)cc1C(=O)N1CCC(Nc2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1cc(Br)cc1C(=O)N1CCC(CC1)N[*:1]
CC(=O)c1ccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 O=C([O-])[*:1] CC(=O)c1ccc(cc1)N1/C(=N/C(=O)CC[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
CC(=O)c1ccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 CC(=O)c1ccc(cc1)[*:1] O=C([O-])CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CC(=O)c1ccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 O=C([O-])CC[*:1] CC(=O)c1ccc(cc1)N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
CC(=O)c1ccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 CC(=O)[*:1] O=C([O-])CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 O=C([O-])C[*:1] CC(=O)c1ccc(cc1)N1/C(=N/C(=O)C[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)NC(=O)c3cccs3)cc2)C1 c1csc(c1)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[C@@H](C)NC(=O)[*:1]
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)NC(=O)c3cccs3)cc2)C1 O=C(N[*:1])c1cccs1 C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[C@@H](C)[*:1]
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)NC(=O)c3cccs3)cc2)C1 C[C@@H](NC(=O)c1cccs1)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CCc1cnc(NC(=O)C#Cc2ccccc2)s1 c1ccc(cc1)[*:1] CCc1cnc(NC(=O)C#C[*:1])s1
Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NCc1ccccc1OC(F)(F)F FC(F)(F)[*:1] Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NCc1ccccc1O[*:1]
Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NCc1ccccc1OC(F)(F)F FC(F)(F)O[*:1] Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NCc1ccccc1[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)c1 CC(C)NC(=O)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1cnc(c(c1)[*:1])N1CC[NH2+]CC1
Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1cnc(c(c1)C(=O)N[*:1])N1CC[NH2+]CC1
Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)NC(=O)c1cc(cnc1N1CC[NH2+]CC1)NS(=O)(=O)[*:1]
O=C([C@@H]1CSCN1C(=O)c1cccc(F)c1)N1CCSCC1 Fc1cccc(c1)[*:1] O=C([C@@H]1CSCN1C(=O)[*:1])N1CCSCC1
Cc1cc(F)ccc1NC(=O)[C@H]1C=C(c2ccncc2)N=N1 c1cc(ccn1)[*:1] Cc1cc(F)ccc1NC(=O)[C@H]1C=C(N=N1)[*:1]
COC(=O)c1cc(F)c(C)c(NC(=O)c2ccccc2-c2cncnc2)c1 COC(=O)[*:1] Cc1c(F)cc(cc1NC(=O)c1ccccc1-c1cncnc1)[*:1]
COC(=O)c1cc(F)c(C)c(NC(=O)c2ccccc2-c2cncnc2)c1 c1ncc(cn1)[*:1] COC(=O)c1cc(F)c(C)c(c1)NC(=O)c1ccccc1[*:1]
CCS[C@H]1CC[C@@H](NC(=O)CNC(=O)NC)C1 CNC(=O)N[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)C[*:1]
CCS[C@H]1CC[C@@H](NC(=O)CNC(=O)NC)C1 CCS[*:1] CNC(=O)NCC(=O)N[C@@H]1CC[C@@H](C1)[*:1]
C[C@H]1CCCN(C(=O)Nc2cccc(SC(F)F)c2)[C@@H]1CO FC(F)[*:1] C[C@H]1CCCN(C(=O)Nc2cccc(c2)S[*:1])[C@@H]1CO
C[C@H]1CCCN(C(=O)Nc2cccc(SC(F)F)c2)[C@@H]1CO FC(F)S[*:1] C[C@H]1CCCN(C(=O)Nc2cccc(c2)[*:1])[C@@H]1CO
C[C@H](NC(=O)CCCO)c1ccc(S(C)(=O)=O)cc1 OCC[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](NC(=O)CCCO)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)CCCO)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CCCO)c1ccc(S(C)(=O)=O)cc1 OCCC[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)S(C)(=O)=O
COc1ccc2c(c1OC)C(=O)N(c1ccccc1Cl)C2 Clc1ccccc1[*:1] COc1ccc2CN(C(=O)c2c1OC)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 CN(S(C)(=O)=O)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC(CC1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)N1CCC(CC1)N(C)S(C)(=O)=O)[*:1]
CCCNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 CCC[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)N[*:1]
CCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 O=[N+]([O-])[*:1] CCNC(=O)c1cccc(c1)NC(=O)c1ccc(s1)[*:1]
CCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 CCNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(s1)[N+](=O)[O-]
CC(C)Oc1cncc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)c1 CC(C)[*:1] Cn1c(nc2cc(ccc21)NC(=O)c1cncc(c1)O[*:1])C1CC1
CC(C)Oc1cncc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)c1 C1CC1[*:1] CC(C)Oc1cncc(c1)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
CC(C)Oc1cncc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)c1 CC(C)O[*:1] Cn1c(nc2cc(ccc21)NC(=O)c1cncc(c1)[*:1])C1CC1
CS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CCCCCCC2)c1 CS(=O)(=O)[*:1] O=C(NCC1CCCCCCC1)c1cc(ccc1Cl)[*:1]
C[NH+](CCCNC(=O)N1CCC(C(=O)N2CCCC2)CC1)CC(F)(F)F O=C(N1CCCC1)[*:1] C[NH+](CCCNC(=O)N1CCC(CC1)[*:1])CC(F)(F)F
C[NH+](CCCNC(=O)N1CCC(C(=O)N2CCCC2)CC1)CC(F)(F)F FC(F)(F)[*:1] C[NH+](CCCNC(=O)N1CCC(CC1)C(=O)N1CCCC1)C[*:1]
CCc1csc(NC(=O)NCc2cc(=O)[nH]c3ccccc23)n1 CCc1csc(n1)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)N[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)CCSc1ccc2c(c1)OCCO2 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)CCSc1ccc2OCCOc2c1)[*:1]
CC(C)(C)[C@H]([NH3+])c1nc([O-])c(-c2ccccc2)c(=O)[nH]1 CC(C)(C)[*:1] [NH3+][C@H](c1nc([O-])c(-c2ccccc2)c(=O)[nH]1)[*:1]
CC(C)(C)[C@H]([NH3+])c1nc([O-])c(-c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] CC(C)(C)[C@H]([NH3+])c1nc([O-])c(c(=O)[nH]1)[*:1]
Cc1ccn(-c2ccccc2NC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)n1 Cc1ccn(n1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1ccccc1[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 CC(C)n1nccc1[*:1] C[C@H](OC(=O)c1nn(-c2ccccc2)c2CCCc12)C(=O)N[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 c1ccc(cc1)[*:1] CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1nn(c2CCCc12)[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 CC(C)[*:1] C[C@H](OC(=O)c1nn(-c2ccccc2)c2CCCc12)C(=O)Nc1ccnn1[*:1]
CCOc1ccc2nc(NC(=O)c3nc(SCC)ncc3Br)sc2c1 CCO[*:1] CCSc1ncc(Br)c(n1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(NC(=O)c3nc(SCC)ncc3Br)sc2c1 CCS[*:1] CCOc1ccc2nc(NC(=O)c3nc(ncc3Br)[*:1])sc2c1
O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C[C@]2(O)CCOC2)CC1 Clc1ccc(cc1)[*:1] O=C(N1CCC(CC1)[NH2+]C[C@]1(O)CCOC1)[*:1]
Cn1nc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n(C2CC2)c1=O Clc1ccc(cc1)[*:1] Cn1nc(C2CCN(CC2)C(=O)[*:1])n(c1=O)C1CC1
Cn1nc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n(C2CC2)c1=O C1CC1[*:1] Cn1nc(C2CCN(CC2)C(=O)c2ccc(Cl)cc2)n(c1=O)[*:1]
COc1cc(/C=C/C(=O)Nc2nnc(C(F)(F)F)s2)cc(OC)c1 FC(F)(F)[*:1] COc1cc(/C=C/C(=O)Nc2nnc(s2)[*:1])cc(c1)OC
CC(C)OCCS(=O)(=O)N(C)[C@@H](C)C#N CC(C)[*:1] C[C@@H](C#N)N(C)S(=O)(=O)CCO[*:1]
CC(C)OCCS(=O)(=O)N(C)[C@@H](C)C#N CC(C)O[*:1] C[C@@H](C#N)N(C)S(=O)(=O)CC[*:1]
CC(C)OCCS(=O)(=O)N(C)[C@@H](C)C#N CC(C)OC[*:1] C[C@@H](C#N)N(C)S(=O)(=O)C[*:1]
CC(C)OCCS(=O)(=O)N(C)[C@@H](C)C#N C[C@@H](C#N)[*:1] CC(C)OCCS(=O)(=O)N(C)[*:1]
Cc1ccc(NC(=O)N(C)Cc2nccn2C(F)F)c(F)c1 FC(F)[*:1] Cc1ccc(NC(=O)N(C)Cc2nccn2[*:1])c(F)c1
C[C@H](c1ccccn1)N(C)C(=O)c1cc2ccccc2cc1OC(F)F c1ccc(nc1)[*:1] C[C@H](N(C)C(=O)c1cc2ccccc2cc1OC(F)F)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)c1cc2ccccc2cc1OC(F)F FC(F)O[*:1] C[C@H](c1ccccn1)N(C)C(=O)c1cc2ccccc2cc1[*:1]
C[C@H](c1ccccn1)N(C)C(=O)c1cc2ccccc2cc1OC(F)F FC(F)[*:1] C[C@H](c1ccccn1)N(C)C(=O)c1cc2ccccc2cc1O[*:1]
CCC(=O)N1CCN(C(=O)N[C@H](C)CSC)CC1 CSC[C@@H](C)[*:1] CCC(=O)N1CCN(CC1)C(=O)N[*:1]
CCC(=O)N1CCN(C(=O)N[C@H](C)CSC)CC1 CSC[*:1] CCC(=O)N1CCN(CC1)C(=O)N[C@H](C)[*:1]
CC(C)c1cccc(-n2cc([O-])c(C(=O)NCc3nncn3C3CC3)n2)c1 c1nnc(n1C1CC1)[*:1] CC(C)c1cccc(c1)-n1cc([O-])c(n1)C(=O)NC[*:1]
CC(C)c1cccc(-n2cc([O-])c(C(=O)NCc3nncn3C3CC3)n2)c1 CC(C)[*:1] O=C(NCc1nncn1C1CC1)c1nn(cc1[O-])-c1cccc(c1)[*:1]
CC(C)c1cccc(-n2cc([O-])c(C(=O)NCc3nncn3C3CC3)n2)c1 CC(C)c1cccc(c1)[*:1] O=C(NCc1nncn1C1CC1)c1nn(cc1[O-])[*:1]
CC(C)c1cccc(-n2cc([O-])c(C(=O)NCc3nncn3C3CC3)n2)c1 C1CC1[*:1] CC(C)c1cccc(c1)-n1cc([O-])c(n1)C(=O)NCc1nncn1[*:1]
CC(C)c1cccc(-n2cc([O-])c(C(=O)NCc3nncn3C3CC3)n2)c1 c1nnc(C[*:1])n1C1CC1 CC(C)c1cccc(c1)-n1cc([O-])c(n1)C(=O)N[*:1]
CCCNC(=O)c1cnc(SC)n1-c1ccccc1 CCC[*:1] CSc1ncc(C(=O)N[*:1])n1-c1ccccc1
CCCNC(=O)c1cnc(SC)n1-c1ccccc1 c1ccc(cc1)[*:1] CCCNC(=O)c1cnc(SC)n1[*:1]
CCCNC(=O)c1cnc(SC)n1-c1ccccc1 CCCNC(=O)[*:1] CSc1ncc(n1-c1ccccc1)[*:1]
C[C@@](O)(CNS(=O)(=O)Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 Clc1ccccc1[*:1] C[C@@](O)(CNS(=O)(=O)C[*:1])c1ccc(cc1)-c1ccccc1
C[C@@](O)(CNS(=O)(=O)Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 Clc1ccccc1C[*:1] C[C@@](O)(CNS(=O)(=O)[*:1])c1ccc(cc1)-c1ccccc1
C[C@@](O)(CNS(=O)(=O)Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@](O)(CNS(=O)(=O)Cc1ccccc1Cl)c1ccc(cc1)[*:1]
CCc1ccc([C@@H](NC(=O)NC[C@H](C)N2CCOCC2)C(C)(C)C)o1 C1CN(CCO1)[*:1] CCc1ccc(o1)[C@@H](NC(=O)NC[C@H](C)[*:1])C(C)(C)C
CCc1ccc([C@@H](NC(=O)NC[C@H](C)N2CCOCC2)C(C)(C)C)o1 C[C@H](N1CCOCC1)[*:1] CCc1ccc(o1)[C@@H](NC(=O)NC[*:1])C(C)(C)C
CCc1ccc([C@@H](NC(=O)NC[C@H](C)N2CCOCC2)C(C)(C)C)o1 CCc1ccc(o1)[*:1] C[C@@H](CNC(=O)N[C@@H](C(C)(C)C)[*:1])N1CCOCC1
CCc1ccc([C@@H](NC(=O)NC[C@H](C)N2CCOCC2)C(C)(C)C)o1 CC(C)(C)[*:1] CCc1ccc(o1)[C@@H](NC(=O)NC[C@H](C)N1CCOCC1)[*:1]
CC(C)c1ccc(NC(=O)[C@H](C)[S@](=O)C/C=C/c2ccccc2)cc1 CC(C)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])[S@](=O)C/C=C/c1ccccc1
CC(C)c1ccc(NC(=O)[C@H](C)[S@](=O)C/C=C/c2ccccc2)cc1 C(=C[*:1])c1ccccc1 CC(C)c1ccc(cc1)NC(=O)[C@H](C)[S@](=O)C[*:1]
CC(C)c1ccc(NC(=O)[C@H](C)[S@](=O)C/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)[C@H](C)[S@](=O)CC=C[*:1]
Cc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)ccn1 O=C([O-])C[*:1] Cc1cc(ccn1)NC(=O)CC1(CCCC1)[*:1]
Cc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)ccn1 O=C([O-])[*:1] Cc1cc(ccn1)NC(=O)CC1(CCCC1)C[*:1]
CCN(CCc1ccccc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 c1ccc(cc1)[*:1] CCN(CC[*:1])C(=O)Nc1cnn(c1)C[C@@H]1CCCO1
CCN(CCc1ccccc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 c1ccc(cc1)CC[*:1] CCN(C(=O)Nc1cnn(c1)C[C@@H]1CCCO1)[*:1]
CCN(CCc1ccccc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 c1ccc(cc1)C[*:1] CCN(C[*:1])C(=O)Nc1cnn(c1)C[C@@H]1CCCO1
CC(=O)c1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 O=[N+]([O-])[*:1] CC(=O)c1cccc(c1)NC(=O)C1CCN(CC1)c1ccccc1[*:1]
CC(=O)c1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])C1CCN(CC1)c1ccccc1[N+](=O)[O-]
CC(=O)c1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 O=[N+]([O-])c1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=O)C1CCN(CC1)[*:1]
CC(=O)c1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 CC(=O)c1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccccc1[N+](=O)[O-]
CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C)cc2F)c1 CCSC[*:1] Cc1ccc(c(F)c1)S(=O)(=O)[N-]c1cc(ccn1)[*:1]
CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C)cc2F)c1 CCS[*:1] Cc1ccc(c(F)c1)S(=O)(=O)[N-]c1cc(ccn1)C[*:1]
CCN(C(=O)c1sc(NC(=O)c2ccco2)cc1C)[C@@H](C)C(C)C CC(C)[*:1] CCN(C(=O)c1sc(cc1C)NC(=O)c1ccco1)[C@@H](C)[*:1]
CCN(C(=O)c1sc(NC(=O)c2ccco2)cc1C)[C@@H](C)C(C)C O=C(N[*:1])c1ccco1 CCN(C(=O)c1sc(cc1C)[*:1])[C@@H](C)C(C)C
CCN(C(=O)c1sc(NC(=O)c2ccco2)cc1C)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCN(C(=O)c1sc(cc1C)NC(=O)c1ccco1)[*:1]
CCN(C(=O)c1sc(NC(=O)c2ccco2)cc1C)[C@@H](C)C(C)C c1coc(c1)[*:1] CCN(C(=O)c1sc(cc1C)NC(=O)[*:1])[C@@H](C)C(C)C
CC(=O)c1c[nH]c(C(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)c1 CC(=O)[*:1] O=C(N[C@H]1C=C[C@@H](C1)C(=O)[O-])c1cc(c[nH]1)[*:1]
CC(=O)c1c[nH]c(C(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)c1 O=C([O-])[*:1] CC(=O)c1c[nH]c(c1)C(=O)N[C@H]1C=C[C@H](C1)[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)NC[C@@H](C)C(C)C CC(C)[*:1] COc1cc(C)c(N)cc1S(=O)(=O)NC[C@@H](C)[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)NC[C@@H](C)C(C)C CC(C)[C@H](C)C[*:1] COc1cc(C)c(N)cc1S(=O)(=O)N[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)NC[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] COc1cc(C)c(N)cc1S(=O)(=O)NC[*:1]
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cc(C)oc2C)c1C COC(=O)[*:1] Cc1cc(C(=O)NNC(=O)c2[nH]c(C)c(c2C)[*:1])c(C)o1
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cc(C)oc2C)c1C Cc1cc(c(C)o1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[*:1])c1C
CC(C)Nc1ncc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cn1 O=C([O-])[*:1] CC(C)Nc1ncc(cn1)C(=O)N1CCC[C@@H](C1)c1cccc(c1)[*:1]
CC(C)Nc1ncc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cn1 CC(C)N[*:1] O=C([O-])c1cccc(c1)[C@H]1CCCN(C1)C(=O)c1cnc(nc1)[*:1]
CC(C)Nc1ncc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cn1 CC(C)[*:1] O=C([O-])c1cccc(c1)[C@H]1CCCN(C1)C(=O)c1cnc(nc1)N[*:1]
CC(C)Nc1ncc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cn1 O=C([O-])c1cccc(c1)[*:1] CC(C)Nc1ncc(cn1)C(=O)N1CCC[C@H](C1)[*:1]
CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 CCC[C@H](C)NC(=O)[*:1] O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](C1)[*:1]
CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 Clc1ccccc1[*:1] CCC[C@H](C)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 CCC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccccc1Cl
CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 CCC[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1ccccc1Cl)[*:1]
CCOc1ccc([C@@H]([NH2+]C)c2cccc(F)c2)c(Br)c1 CCO[*:1] C[NH2+][C@@H](c1cccc(F)c1)c1ccc(cc1Br)[*:1]
CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] CCc1nc2[C@H](CCCn2n1)[NH2+]Cc1ccc(o1)[*:1]
CC[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)c1ccn(n1)-c1cccc(Cl)c1)[*:1]
CC[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1c(C)nn(C)c1C Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)c1ccn(n1)[*:1])c1c(C)nn(C)c1C
C[C@H](NC(=O)N1CCSC[C@@H]1c1ccccc1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)N1CCSC[C@@H]1c1ccccc1)[*:1]
C[C@H](NC(=O)N1CCSC[C@@H]1c1ccccc1)c1cnn(C)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCSC[C@H]1[*:1])c1cnn(C)c1
CCc1ccccc1NC(=O)CN[C@H](C(=O)NC(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)CN[C@H](C(=O)NC(N)=O)[*:1]
CCc1ccccc1NC(=O)CN[C@H](C(=O)NC(N)=O)c1ccccc1 NC(=O)NC(=O)[*:1] CCc1ccccc1NC(=O)CN[C@H](c1ccccc1)[*:1]
CCc1ccccc1NC(=O)CN[C@H](C(=O)NC(N)=O)c1ccccc1 CCc1ccccc1[*:1] NC(=O)NC(=O)[C@@H](NCC(=O)N[*:1])c1ccccc1
COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cnn(C)c1 COC(=O)[*:1] CC1Nc2ncnn2[C@H](C=1[*:1])c1cnn(C)c1
COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cnn(C)c1 Cn1cc(cn1)[*:1] COC(=O)C1=C(C)Nc2ncnn2[C@@H]1[*:1]
O=C(NNc1ncccc1Cl)Nc1cc(-n2cnnn2)ccc1F Clc1cccnc1[*:1] O=C(NN[*:1])Nc1cc(ccc1F)-n1cnnn1
O=C(NNc1ncccc1Cl)Nc1cc(-n2cnnn2)ccc1F c1nnnn1[*:1] O=C(NNc1ncccc1Cl)Nc1cc(ccc1F)[*:1]
CC[C@H](C)CN(CC)C(=O)c1ccc(C(N)=S)cc1 CC[C@H](C)C[*:1] CCN(C(=O)c1ccc(cc1)C(N)=S)[*:1]
CC[C@H](C)CN(CC)C(=O)c1ccc(C(N)=S)cc1 NC(=S)[*:1] CC[C@H](C)CN(CC)C(=O)c1ccc(cc1)[*:1]
CC[C@H](C)CN(CC)C(=O)c1ccc(C(N)=S)cc1 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)C(N)=S
Cc1c(-c2ccncc2)n[nH]c1NC(=O)c1cc(CC(C)C)n[nH]1 CC(C)C[*:1] Cc1c(n[nH]c1NC(=O)c1cc(n[nH]1)[*:1])-c1ccncc1
Cc1c(-c2ccncc2)n[nH]c1NC(=O)c1cc(CC(C)C)n[nH]1 CC(C)[*:1] Cc1c(n[nH]c1NC(=O)c1cc(C[*:1])n[nH]1)-c1ccncc1
Cc1c(-c2ccncc2)n[nH]c1NC(=O)c1cc(CC(C)C)n[nH]1 c1cc(ccn1)[*:1] Cc1c(n[nH]c1NC(=O)c1cc(CC(C)C)n[nH]1)[*:1]
N#Cc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)C(=O)NCCOc1cccc(c1)[*:1]
N#Cc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCCOc1cccc(c1)C(F)(F)F)[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] C[C@@H]1[C@H](CCN1C(=O)[C@@H]1CCCN1C(=O)[*:1])C(=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCCN1C(=O)C1CC1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)[C@@H]1CCCN1C(=O)C1CC1)[*:1]
CC(=O)Nc1ccc(C(=O)NNc2cc(C)ccn2)cc1 CC(=O)N[*:1] Cc1ccnc(c1)NNC(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)NNc2cc(C)ccn2)cc1 Cc1ccnc(c1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)NN[*:1]
COCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1OCCO1 C1COC(O1)[*:1] COCC[C@@H](C)C(=O)N1CCCC[C@H]1[*:1]
COCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1OCCO1 COC[*:1] C[C@H](C[*:1])C(=O)N1CCCC[C@@H]1C1OCCO1
COCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1OCCO1 COCC[*:1] C[C@@H](C(=O)N1CCCC[C@@H]1C1OCCO1)[*:1]
COCC[C@@H](C)C(=O)N1CCCC[C@@H]1C1OCCO1 COCC[C@@H](C)[*:1] O=C(N1CCCC[C@@H]1C1OCCO1)[*:1]
CCOc1ccc(CN(C)C(=O)Cc2cccc(F)c2)cc1 CCO[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)Cc1cccc(F)c1
CCOc1ccc(CN(C)C(=O)Cc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CCOc1ccc(cc1)CN(C)C(=O)C[*:1]
COc1ccc(COc2cncc(C(=O)[O-])n2)cc1 O=C([O-])[*:1] COc1ccc(cc1)COc1cncc(n1)[*:1]
O=C(NCCCn1cccn1)C(=O)Nc1cccc(F)c1 c1cnn(c1)C[*:1] O=C(NCC[*:1])C(=O)Nc1cccc(F)c1
O=C(NCCCn1cccn1)C(=O)Nc1cccc(F)c1 c1cnn(c1)CC[*:1] O=C(NC[*:1])C(=O)Nc1cccc(F)c1
O=C(NCCCn1cccn1)C(=O)Nc1cccc(F)c1 c1cnn(c1)[*:1] O=C(NCCC[*:1])C(=O)Nc1cccc(F)c1
O=C(NCCCn1cccn1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCCn1cccn1)C(=O)N[*:1]
Cc1ccccc1NCC(=O)Nc1ncc(Cc2ccccc2)s1 Cc1ccccc1[*:1] O=C(CN[*:1])Nc1ncc(Cc2ccccc2)s1
Cc1ccccc1NCC(=O)Nc1ncc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] Cc1ccccc1NCC(=O)Nc1ncc(s1)[*:1]
Cc1ccccc1NCC(=O)Nc1ncc(Cc2ccccc2)s1 Cc1ccccc1N[*:1] O=C(C[*:1])Nc1ncc(Cc2ccccc2)s1
Cc1ccccc1NCC(=O)Nc1ncc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccccc1NCC(=O)Nc1ncc(C[*:1])s1
CCN1C(=O)c2cc(NC(=O)c3cccc(OC)c3OC)ccc2Oc2ccccc21 COc1cccc(c1OC)[*:1] CCN1C(=O)c2cc(ccc2Oc2ccccc21)NC(=O)[*:1]
O=C(CCC1CCCCC1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 C1CCC(CC1)[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1nnc(o1)-c1ccco1
O=C(CCC1CCCCC1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 C1CCC(CC1)C[*:1] O=C(C[*:1])N1CCN(CC1)Cc1nnc(o1)-c1ccco1
O=C(CCC1CCCCC1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 C1CCC(CC1)CC[*:1] O=C(N1CCN(CC1)Cc1nnc(o1)-c1ccco1)[*:1]
O=C(CCC1CCCCC1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 c1coc(c1)[*:1] O=C(CCC1CCCCC1)N1CCN(CC1)Cc1nnc(o1)[*:1]
C[NH+](Cc1ccc(-n2cccn2)cc1)Cc1cccc2c1OCO2 c1cnn(c1)[*:1] C[NH+](Cc1ccc(cc1)[*:1])Cc1cccc2OCOc12
O=C(Cc1ccc(-c2cccnc2)cc1)N1CCc2nocc2C1 c1cncc(c1)[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCc2nocc2C1
CC(C)NC(=O)C(=O)N1CCN(CC(=O)N(C)CC(F)(F)F)CC1 CC(C)[*:1] CN(CC(F)(F)F)C(=O)CN1CCN(CC1)C(=O)C(=O)N[*:1]
CC(C)NC(=O)C(=O)N1CCN(CC(=O)N(C)CC(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)NC(=O)C(=O)N1CCN(CC1)CC(=O)N(C)C[*:1]
CC(C)NC(=O)C(=O)N1CCN(CC(=O)N(C)CC(F)(F)F)CC1 FC(F)(F)C[*:1] CC(C)NC(=O)C(=O)N1CCN(CC1)CC(=O)N(C)[*:1]
COc1ccccc1-n1[nH]c(-c2ccccc2)cc1=O c1ccc(cc1)[*:1] COc1ccccc1-n1[nH]c(cc1=O)[*:1]
Cc1ccc(C(=O)NC2(/C(N)=N/O)CCCC2)c(F)c1 N/C(=N\O)[*:1] Cc1ccc(C(=O)NC2(CCCC2)[*:1])c(F)c1
CC(C)OC(=O)C1CCN(C(=O)N2CCCC2)CC1 CC(C)OC(=O)[*:1] O=C(N1CCCC1)N1CCC(CC1)[*:1]
CC(C)OC(=O)C1CCN(C(=O)N2CCCC2)CC1 CC(C)[*:1] O=C(O[*:1])C1CCN(CC1)C(=O)N1CCCC1
CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12 CCC[*:1] Cc1cc(O[C@@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c(cc(=O)oc2c1)[*:1]
CC(C)(C)OC(=O)[C@H]1[C@@H](c2cccc(O)c2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O CC(C)(C)OC(=O)[*:1] CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H]([C@H]1c1cccc(O)c1)[*:1]
CC(C)(C)OC(=O)[C@H]1[C@@H](c2cccc(O)c2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O CC(C)(C)OC(=O)[*:1] CC(C)(C)OC(=O)[C@H]1[C@@H](c2cccc(O)c2)[C@@H](C(=O)C[C@]1(C)O)[*:1]
CC(C)(C)OC(=O)[C@H]1[C@@H](c2cccc(O)c2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O CC(C)(C)[*:1] CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)O[*:1])[C@H]1c1cccc(O)c1
CC(C)(C)OC(=O)[C@H]1[C@@H](c2cccc(O)c2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O CC(C)(C)[*:1] CC(C)(C)OC(=O)[C@H]1[C@@H](c2cccc(O)c2)[C@H](C(=O)C[C@]1(C)O)C(=O)O[*:1]
CC(C)(C)OC(=O)[C@H]1[C@@H](c2cccc(O)c2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O Oc1cccc(c1)[*:1] CC(C)(C)OC(=O)[C@H]1[C@@H]([C@H](C(=O)C[C@]1(C)O)C(=O)OC(C)(C)C)[*:1]
COCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 COC[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NCc1ccccc1[*:1]
COCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 COCc1ccccc1C[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
COCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 COCc1ccccc1[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
C[NH+](C)CCC1CC[NH+](CCC#N)CC1 N#CCC[*:1] C[NH+](C)CCC1CC[NH+](CC1)[*:1]
C[NH+](C)CCC1CC[NH+](CCC#N)CC1 C[NH+](C)CC[*:1] N#CCC[NH+]1CCC(CC1)[*:1]
C[NH+](C)CCC1CC[NH+](CCC#N)CC1 N#CC[*:1] C[NH+](C)CCC1CC[NH+](CC1)C[*:1]
C[NH+](C)CCC1CC[NH+](CCC#N)CC1 C[NH+](C)C[*:1] N#CCC[NH+]1CCC(CC1)C[*:1]
O=C(C#Cc1ccccc1)NNC(=O)c1ccc(Br)s1 c1ccc(cc1)[*:1] O=C(C#C[*:1])NNC(=O)c1ccc(Br)s1
O=C(C#Cc1ccccc1)NNC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(C#Cc1ccccc1)NNC(=O)[*:1]
Cc1c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc(cc1)CC[NH+](C)C
CC(C)[C@H](C)NC(=O)c1cccc(SCC#N)c1 CC(C)[*:1] C[C@H](NC(=O)c1cccc(c1)SCC#N)[*:1]
CC(C)[C@H](C)NC(=O)c1cccc(SCC#N)c1 N#CC[*:1] CC(C)[C@H](C)NC(=O)c1cccc(c1)S[*:1]
CC(C)[C@H](C)NC(=O)c1cccc(SCC#N)c1 N#CCS[*:1] CC(C)[C@H](C)NC(=O)c1cccc(c1)[*:1]
CC(C)[C@H](C)NC(=O)c1cccc(SCC#N)c1 CC(C)[C@H](C)[*:1] N#CCSc1cccc(c1)C(=O)N[*:1]
Cc1cc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](CC(C)C)c3ccccc3)C2=O)c(C)o1 CC(C)C[*:1] Cc1cc(c(C)o1)[C@]1(C)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)[*:1])C1=O
Cc1cc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](CC(C)C)c3ccccc3)C2=O)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(c(C)o1)[C@]1(C)NC(=O)N(CC(=O)N[C@@H](CC(C)C)[*:1])C1=O
Cc1cc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](CC(C)C)c3ccccc3)C2=O)c(C)o1 CC(C)[*:1] Cc1cc(c(C)o1)[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C[*:1])c2ccccc2)C1=O
Cc1cc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](CC(C)C)c3ccccc3)C2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] CC(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1])c1ccccc1
Cc1ccc2nc(C)cc(C(=O)N(C)[C@H](C)c3cncs3)c2c1 c1ncc(s1)[*:1] Cc1ccc2nc(C)cc(C(=O)N(C)[C@H](C)[*:1])c2c1
O=C(CN1C(=O)/C(=C2\SC(=S)N=C2[O-])c2ccccc21)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CN1C(=O)/C(=C2\SC(=S)N=C2[O-])c2ccccc21)N[*:1]
CCC[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)CC1CC1 C1CC1C[*:1] CCC[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)[*:1]
CCC[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)CC1CC1 CN(CC1CC1)[*:1] CCC[NH2+][C@@H](C)c1cc(F)c(C)cc1[*:1]
CCC[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)CC1CC1 CCC[*:1] Cc1cc(c(cc1F)[C@H](C)[NH2+][*:1])N(C)CC1CC1
CCC[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)CC1CC1 C1CC1[*:1] CCC[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)C[*:1]
COC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)Cc2cccs2)c1 c1csc(c1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)N[C@@H](C)C[*:1]
COC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)Cc2cccs2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)Cc1cccs1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)Cc2cccs2)c1 c1csc(c1)C[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)N[C@@H](C)[*:1]
CSc1cccc(NC(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 CSc1cccc(c1)[*:1] O=C(N[*:1])N1C[C@@H]2CCCN2c2ccccc21
Cc1csc(=O)n1CCC(=O)N1CCN(C(C)C)CC1 CC(C)[*:1] Cc1csc(=O)n1CCC(=O)N1CCN(CC1)[*:1]
CCC1(CNC(=O)Nc2ccccc2SCCC#N)CCC1 N#CC[*:1] CCC1(CCC1)CNC(=O)Nc1ccccc1SC[*:1]
CCC1(CNC(=O)Nc2ccccc2SCCC#N)CCC1 N#CCC[*:1] CCC1(CCC1)CNC(=O)Nc1ccccc1S[*:1]
CCC1(CNC(=O)Nc2ccccc2SCCC#N)CCC1 CCC1(CCC1)[*:1] N#CCCSc1ccccc1NC(=O)NC[*:1]
CCC1(CNC(=O)Nc2ccccc2SCCC#N)CCC1 CCC1(CCC1)C[*:1] N#CCCSc1ccccc1NC(=O)N[*:1]
CCC1(CNC(=O)Nc2ccccc2SCCC#N)CCC1 N#CCCS[*:1] CCC1(CCC1)CNC(=O)Nc1ccccc1[*:1]
C=C(Cl)CN(C(=O)Cc1c(C)noc1C)[C@H]1CCc2ccccc21 Cc1noc(C)c1[*:1] C=C(Cl)CN(C(=O)C[*:1])[C@H]1CCc2ccccc21
C=C(Cl)CN(C(=O)Cc1c(C)noc1C)[C@H]1CCc2ccccc21 C=C(Cl)C[*:1] Cc1noc(C)c1CC(=O)N([C@H]1CCc2ccccc21)[*:1]
C=C(Cl)CN(C(=O)Cc1c(C)noc1C)[C@H]1CCc2ccccc21 Cc1noc(C)c1C[*:1] C=C(Cl)CN(C(=O)[*:1])[C@H]1CCc2ccccc21
C=C(Cl)CN(C(=O)Cc1c(C)noc1C)[C@H]1CCc2ccccc21 C=C(Cl)[*:1] Cc1noc(C)c1CC(=O)N(C[*:1])[C@H]1CCc2ccccc21
CCOC(=O)c1cc(N)c(N2CCOCC2)c(Cl)c1 C1CN(CCO1)[*:1] CCOC(=O)c1cc(N)c(c(Cl)c1)[*:1]
CCOC(=O)c1cc(N)c(N2CCOCC2)c(Cl)c1 CCOC(=O)[*:1] Nc1cc(cc(Cl)c1N1CCOCC1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)/C=C(/C)c3ccccc3F)C2)c1 CCOC(=O)[*:1] C/C(=C/C(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1])c1ccccc1F
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)/C=C(/C)c3ccccc3F)C2)c1 Fc1ccccc1[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)C=C(C)[*:1]
C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC1)C[NH+]1CCCC1 C1CC1[*:1] C[C@@H](CNC(=O)N(Cc1ccccc1)[*:1])C[NH+]1CCCC1
C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC1)C[NH+]1CCCC1 c1ccc(cc1)C[*:1] C[C@@H](CNC(=O)N(C1CC1)[*:1])C[NH+]1CCCC1
C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC1)C[NH+]1CCCC1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N(C[*:1])C1CC1)C[NH+]1CCCC1
CCCn1c([C@@H](O)c2cccc(OC)c2OC)nc2ccccc21 CCC[*:1] COc1cccc(c1OC)[C@H](O)c1nc2ccccc2n1[*:1]
O=C(Nc1ccc(-n2cccn2)c(Cl)c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 O=C(Nc1ccc(c(Cl)c1)-n1cccn1)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(-n2cccn2)c(Cl)c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 c1cnn(c1)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])[C@H]1CC(=O)N(Cc2ccccn2)C1
O=C(Nc1ccc(-n2cccn2)c(Cl)c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(Nc1ccc(c(Cl)c1)-n1cccn1)[C@H]1CC(=O)N(C1)C[*:1]
CCN[C@@H](Cc1nccn1CC)C(C)(C)[NH+]1CCCC1 CCN[*:1] CCn1ccnc1C[C@@H](C(C)(C)[NH+]1CCCC1)[*:1]
CCC(=O)CCCc1nc2ccccc2n1C CCC(=O)[*:1] Cn1c(CCC[*:1])nc2ccccc21
CCC(=O)CCCc1nc2ccccc2n1C CCC(=O)C[*:1] Cn1c(CC[*:1])nc2ccccc21
C[S@](=O)Cc1cccc(C(=O)Nc2cccc(I)c2)c1 C[S@](=O)C[*:1] O=C(Nc1cccc(I)c1)c1cccc(c1)[*:1]
COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)CC1CC1)CC2 C1CC1[*:1] COCc1nc2CC[C@@H](Cn2n1)[NH2+][C@H](C)C[*:1]
COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)CC1CC1)CC2 C[C@H](CC1CC1)[*:1] COCc1nc2CC[C@@H](Cn2n1)[NH2+][*:1]
COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)CC1CC1)CC2 COC[*:1] C[C@H](CC1CC1)[NH2+][C@H]1CCc2nc(nn2C1)[*:1]
COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)CC1CC1)CC2 C1CC1C[*:1] COCc1nc2CC[C@@H](Cn2n1)[NH2+][C@H](C)[*:1]
CC(C)=C[C@H]1[C@H](C(=O)NNC(=O)OC(C)(C)C)C1(C)C CC(C)(C)[*:1] CC(C)=C[C@H]1[C@H](C(=O)NNC(=O)O[*:1])C1(C)C
CC(C)=C[C@H]1[C@H](C(=O)NNC(=O)OC(C)(C)C)C1(C)C CC(C)=C[*:1] CC(C)(C)OC(=O)NNC(=O)[C@H]1[C@@H](C1(C)C)[*:1]
CSCCCNC(=O)Nc1cc2c(cc1Cl)OCCO2 CSCCC[*:1] O=C(Nc1cc2OCCOc2cc1Cl)N[*:1]
CSCCCNC(=O)Nc1cc2c(cc1Cl)OCCO2 CSC[*:1] O=C(NCC[*:1])Nc1cc2OCCOc2cc1Cl
CSCCCNC(=O)Nc1cc2c(cc1Cl)OCCO2 CSCC[*:1] O=C(NC[*:1])Nc1cc2OCCOc2cc1Cl
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C CCS(=O)(=O)N[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NS(=O)(=O)CC[*:1]
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C CCS(=O)(=O)NC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NS(=O)(=O)C[*:1]
CC1(C)CN(C(=O)C(=O)Nc2ccnn2C2CCCCC2)CC[S@@]1=O C1CCC(CC1)[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)C(=O)Nc1ccnn1[*:1]
Cn1ncc2c1CCC[C@H]2[NH2+]CCCO OCC[*:1] Cn1ncc2c1CCC[C@H]2[NH2+]C[*:1]
Cn1ncc2c1CCC[C@H]2[NH2+]CCCO OCCC[*:1] Cn1ncc2c1CCC[C@H]2[NH2+][*:1]
CCCN(C)C(=O)c1cnc(-c2ccc(OC)cc2)s1 CCC[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)N(C)[*:1]
C#CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@H]2CCCO2)C1 c1cncc(c1)[*:1] C#CCNC(=O)[C@@]1(CCN(C1)C(=O)[C@H]1CCCO1)Cc1ccccc1[*:1]
C#CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@H]2CCCO2)C1 C1CO[C@H](C1)[*:1] C#CCNC(=O)[C@@]1(CCN(C1)C(=O)[*:1])Cc1ccccc1-c1cccnc1
C#CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@H]2CCCO2)C1 C#CC[*:1] O=C([C@H]1CCCO1)N1CC[C@](Cc2ccccc2-c2cccnc2)(C1)C(=O)N[*:1]
C#CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@H]2CCCO2)C1 C#CCNC(=O)[*:1] O=C([C@H]1CCCO1)N1CC[C@@](Cc2ccccc2-c2cccnc2)(C1)[*:1]
CC[C@@H](C(=O)OCC(=O)Nc1ccccc1C#N)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)OCC(=O)Nc1ccccc1C#N)[*:1]
CC[C@@H](C(=O)OCC(=O)Nc1ccccc1C#N)c1ccccc1 N#Cc1ccccc1[*:1] CC[C@@H](C(=O)OCC(=O)N[*:1])c1ccccc1
C[C@H](Cl)[C@@H](C)c1ccoc1 C[C@H](Cl)[*:1] C[C@@H](c1ccoc1)[*:1]
CCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)cc1 C1CO[C@@H](C1)C[*:1] CCOc1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
CCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)cc1 CCO[*:1] c1cc(ccc1C[NH+]1CCN(CC1)C[C@@H]1CCCO1)[*:1]
CCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)cc1 C1CO[C@@H](C1)[*:1] CCOc1ccc(cc1)C[NH+]1CCN(CC1)C[*:1]
CN(c1cnc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCC[NH2+]C1 O=[N+]([O-])[*:1] CN(c1cnc2cc(ccc2n1)[*:1])[C@@H]1CCC[NH2+]C1
COc1ccc(/C=N/n2cncn2)cc1COc1ccc([N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] COc1ccc(/C=N/n2cncn2)cc1COc1ccc(c(C)c1)[*:1]
COc1ccc(/C=N/n2cncn2)cc1COc1ccc([N+](=O)[O-])c(C)c1 C(=Nn1cncn1)[*:1] COc1ccc(cc1COc1ccc(c(C)c1)[N+](=O)[O-])[*:1]
COc1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c(C)cc1C Fc1ccccc1[*:1] COc1cc(c(C)cc1C)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCCCC1
CC(C)Cn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc21 CC(C)[*:1] O=C(CSc1nc2ccccc2n1C[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
CC(C)Cn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc21 CC(C)C[*:1] O=C(CSc1nc2ccccc2n1[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
CC(C)(CO)N1COc2ccc3c(oc(=O)c4ccccc43)c2C1 CC(C)(CO)[*:1] O=c1oc2c3CN(COc3ccc2c2ccccc12)[*:1]
O=C(Nc1ccc(F)cc1Br)C(=O)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(Nc1ccc(F)cc1Br)C(=O)N[*:1]
C[C@H](C(=O)NNC(=O)C(C)(C)C)n1nnc(-c2ccccc2)n1 CC(C)(C)[*:1] C[C@H](C(=O)NNC(=O)[*:1])n1nnc(n1)-c1ccccc1
C[C@H](C(=O)NNC(=O)C(C)(C)C)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](C(=O)NNC(=O)C(C)(C)C)n1nnc(n1)[*:1]
O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(NC(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)N[*:1] O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(cc1)[*:1]
O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(NC(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(cc1)NC(=O)NC[*:1]
O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(NC(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(cc1)NC(=O)N[*:1]
O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(NC(=O)NCc2ccco2)cc1 O=c1oc2ccccc2n1[*:1] O=C(CC[*:1])Nc1ccc(cc1)NC(=O)NCc1ccco1
O=C(CN[C@H](C1CCCC1)C(F)(F)F)N1CCCC1 C1CCC(C1)[*:1] O=C(CN[C@H](C(F)(F)F)[*:1])N1CCCC1
O=C(CN[C@H](C1CCCC1)C(F)(F)F)N1CCCC1 FC(F)(F)[*:1] O=C(CN[C@H](C1CCCC1)[*:1])N1CCCC1
CCOc1ccc2c(c1)C=C(C(=O)Nc1ccnn1C1CCCCC1)CO2 C1CCC(CC1)[*:1] CCOc1ccc2OCC(=Cc2c1)C(=O)Nc1ccnn1[*:1]
CCOc1ccc2c(c1)C=C(C(=O)Nc1ccnn1C1CCCCC1)CO2 CCO[*:1] O=C(Nc1ccnn1C1CCCCC1)C1=Cc2cc(ccc2OC1)[*:1]
CCO[C@@H](C)c1noc(CN(C)Cc2c(F)cccc2Cl)n1 CCO[*:1] C[C@@H](c1noc(CN(C)Cc2c(F)cccc2Cl)n1)[*:1]
CCO[C@@H](C)c1noc(CN(C)Cc2c(F)cccc2Cl)n1 CCO[C@@H](C)[*:1] CN(Cc1nc(no1)[*:1])Cc1c(F)cccc1Cl
Cc1nc(-c2ccsc2)ccc1C(=O)N1CCOC[C@H]1CC(C)C c1cc(cs1)[*:1] Cc1nc(ccc1C(=O)N1CCOC[C@H]1CC(C)C)[*:1]
Cc1nc(-c2ccsc2)ccc1C(=O)N1CCOC[C@H]1CC(C)C CC(C)C[*:1] Cc1nc(ccc1C(=O)N1CCOC[C@@H]1[*:1])-c1ccsc1
Cc1nc(-c2ccsc2)ccc1C(=O)N1CCOC[C@H]1CC(C)C CC(C)[*:1] Cc1nc(ccc1C(=O)N1CCOC[C@H]1C[*:1])-c1ccsc1
CC[C@@H]1C(=O)NCCN1C(=O)c1cccc(COC)c1 COC[*:1] CC[C@@H]1C(=O)NCCN1C(=O)c1cccc(c1)[*:1]
Cc1ccccc1S(=O)(=O)N(CC(=O)N1CC[NH2+]CC1)C(C)C Cc1ccccc1[*:1] CC(C)N(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)[*:1]
Cc1ccccc1S(=O)(=O)N(CC(=O)N1CC[NH2+]CC1)C(C)C CC(C)[*:1] Cc1ccccc1S(=O)(=O)N(CC(=O)N1CC[NH2+]CC1)[*:1]
CC1(c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)SCCS1 Clc1ccc(cc1)[*:1] CC1(SCCS1)c1ccc(cc1)OS(=O)(=O)[*:1]
COc1cc(NC(=O)c2cc(C3CC3)nc3ccccc23)c(OC)cc1Cl C1CC1[*:1] COc1cc(NC(=O)c2cc(nc3ccccc23)[*:1])c(cc1Cl)OC
C[C@@H](c1ccco1)N(C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 C[C@@H](c1ccco1)[*:1] CN(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 c1coc(c1)[*:1] C[C@@H](N(C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](c1ccco1)N(C)C(=O)N[C@H](CC(F)(F)F)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] C[C@@H](c1ccco1)N(C)C(=O)N[C@H](C[*:1])c1ccc(F)cc1
C[C@@H](c1ccco1)N(C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] C[C@@H](c1ccco1)N(C)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC[C@](O)(c1ccccc1)C1(C[NH3+])CCOCC1 c1ccc(cc1)[*:1] CC[C@](O)(C1(C[NH3+])CCOCC1)[*:1]
COCCNS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 COCC[*:1] CN1CCc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N[*:1])sc2C1
COCCNS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 COCCNS(=O)(=O)[*:1] CN1CCc2nc(NC(=O)c3ccc(cc3)[*:1])sc2C1
COCCNS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 COC[*:1] CN1CCc2nc(NC(=O)c3ccc(cc3)S(=O)(=O)NC[*:1])sc2C1
C[C@H]1CCN(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)C[C@@H]1O Fc1cccc(c1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)N[C@@H](c1ccccn1)[*:1]
C[C@H]1CCN(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)C[C@@H]1O c1ccc(nc1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)N[C@@H](c1cccc(F)c1)[*:1]
O=c1c2c3c(sc2nc2n1CC=C(c1ccccc1)S2)CCCC3 c1ccc(cc1)[*:1] O=c1c2c3CCCCc3sc2nc2SC(=CCn21)[*:1]
Cc1cc(OCC(=O)NCc2ccccc2)nc(N2CCC[C@@H](C)C2)n1 c1ccc(cc1)[*:1] Cc1cc(nc(n1)N1CCC[C@@H](C)C1)OCC(=O)NC[*:1]
Cc1cc(OCC(=O)NCc2ccccc2)nc(N2CCC[C@@H](C)C2)n1 c1ccc(cc1)C[*:1] Cc1cc(nc(n1)N1CCC[C@@H](C)C1)OCC(=O)N[*:1]
O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 Clc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1
O=C(c1cccc(C2=NO[C@@H]([C@@H]3N=NC4=C3CCCC4)N2)c1)N1CCCC1 O=C(N1CCCC1)[*:1] c1cc(cc(c1)[*:1])C1=NO[C@H](N1)[C@@H]1N=NC2CCCCC=21
Cc1nc(CNC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c(C)s1 Cc1nc(c(C)s1)[*:1] Cc1ccc(cc1S(N)(=O)=O)NC(=O)NC[*:1]
Cc1nc(CNC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c(C)s1 NS(=O)(=O)[*:1] Cc1nc(CNC(=O)Nc2ccc(C)c(c2)[*:1])c(C)s1
COc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1OCc1cn2ccccc2n1 c1ccn2cc(C[*:1])nc2c1 COc1ccc(cc1O[*:1])[N-]S(=O)(=O)c1c(F)cccc1F
COc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1OCc1cn2ccccc2n1 c1ccn2cc(nc2c1)[*:1] COc1ccc(cc1OC[*:1])[N-]S(=O)(=O)c1c(F)cccc1F
COc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1OCc1cn2ccccc2n1 Fc1cccc(F)c1[*:1] COc1ccc(cc1OCc1cn2ccccc2n1)[N-]S(=O)(=O)[*:1]
CC(=O)Nc1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2CSc2ncccn2)c1 Clc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1nnn(c1CSc1ncccn1)[*:1]
CC(=O)Nc1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2CSc2ncccn2)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(N[*:1])c1nnn(-c2ccc(Cl)cc2)c1CSc1ncccn1
CC(=O)Nc1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2CSc2ncccn2)c1 c1cnc(nc1)S[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C[*:1]
CC(=O)Nc1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2CSc2ncccn2)c1 c1cnc(nc1)SC[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1nnn(-c2ccc(Cl)cc2)c1[*:1]
CC(=O)Nc1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2CSc2ncccn2)c1 c1cnc(nc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1nnn(-c2ccc(Cl)cc2)c1CS[*:1]
CC(=O)Nc1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2CSc2ncccn2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1nnn(-c2ccc(Cl)cc2)c1CSc1ncccn1
C/[NH+]=C(/NCCCSC)N1CCC[C@@H](C)C1 CSCC[*:1] C/[NH+]=C(/NC[*:1])N1CCC[C@@H](C)C1
C/[NH+]=C(/NCCCSC)N1CCC[C@@H](C)C1 CSCCC[*:1] C/[NH+]=C(/N[*:1])N1CCC[C@@H](C)C1
C/[NH+]=C(/NCCCSC)N1CCC[C@@H](C)C1 CSC[*:1] C/[NH+]=C(/NCC[*:1])N1CCC[C@@H](C)C1
CC(=O)N1CCc2nc([C@H]3CCN(C(=O)c4cc(C(C)(C)C)n[nH]4)C3)ncc2C1 CC(C)(C)c1cc([nH]n1)[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@H]1CCN(C1)C(=O)[*:1]
CC(=O)N1CCc2nc([C@H]3CCN(C(=O)c4cc(C(C)(C)C)n[nH]4)C3)ncc2C1 CC(C)(C)[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@H]1CCN(C1)C(=O)c1cc(n[nH]1)[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCCCn1cnnc1 c1nncn1CC[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCC[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCCCn1cnnc1 CCC[*:1] C[C@H]1CCCN(C(=O)NCCCCn2cnnc2)[C@@H]1[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCCCn1cnnc1 c1nncn1[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCCC[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCCCn1cnnc1 c1nncn1C[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCC[*:1]
Cc1cc(=O)c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nn1-c1ccccc1F Fc1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1
CCOC(=O)Cc1csc(NC(=O)c2cccc(-n3cccc3)c2)n1 CCOC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])c1cccc(c1)-n1cccc1
CCOC(=O)Cc1csc(NC(=O)c2cccc(-n3cccc3)c2)n1 c1ccn(c1)[*:1] CCOC(=O)Cc1csc(n1)NC(=O)c1cccc(c1)[*:1]
CCOC(=O)Cc1csc(NC(=O)c2cccc(-n3cccc3)c2)n1 CCOC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])c1cccc(c1)-n1cccc1
CCn1c(Cc2ccccc2)nnc1SCc1ccccc1C c1ccc(cc1)[*:1] CCn1c(C[*:1])nnc1SCc1ccccc1C
CCn1c(Cc2ccccc2)nnc1SCc1ccccc1C c1ccc(cc1)C[*:1] CCn1c(nnc1[*:1])SCc1ccccc1C
CCn1c(Cc2ccccc2)nnc1SCc1ccccc1C Cc1ccccc1[*:1] CCn1c(Cc2ccccc2)nnc1SC[*:1]
CC(C)c1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 CC(C)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)Nc1cccc(c1)C(=O)[O-]
CC(C)c1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(N2CCC([NH+](C)CCNS(C)(=O)=O)CC2)nc(C)[nH+]1 CS(=O)(=O)NC[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)C[*:1]
Cc1cc(N2CCC([NH+](C)CCNS(C)(=O)=O)CC2)nc(C)[nH+]1 CS(=O)(=O)N[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)CC[*:1]
Cc1cc(N2CCC([NH+](C)CCNS(C)(=O)=O)CC2)nc(C)[nH+]1 CS(=O)(=O)NCC[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)[*:1]
Cc1cnc(CNC(=O)NCCCC(C)(C)CO)s1 CC(C)(CO)[*:1] Cc1cnc(CNC(=O)NCCC[*:1])s1
Cc1cnc(CNC(=O)NCCCC(C)(C)CO)s1 CC(C)(CO)C[*:1] Cc1cnc(CNC(=O)NCC[*:1])s1
Cc1cnc(CNC(=O)NCCCC(C)(C)CO)s1 Cc1cnc(s1)[*:1] CC(C)(CO)CCCNC(=O)NC[*:1]
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(C)=O)[C@@]1(C)[C@@H]([C@@H](O)C[C@H]1O)[C@H](C)[C@H]2O CC(=O)O[*:1] C=C1C(=O)O[C@@H]2[C@@H]1[C@@H]([C@@]1(C)[C@@H]([C@@H](O)C[C@H]1O)[C@H](C)[C@H]2O)[*:1]
Cc1n[nH]c2ncc(C(=O)N(C)CCc3cccs3)cc12 c1csc(c1)C[*:1] Cc1n[nH]c2ncc(cc12)C(=O)N(C)C[*:1]
Cc1n[nH]c2ncc(C(=O)N(C)CCc3cccs3)cc12 c1csc(c1)CC[*:1] Cc1n[nH]c2ncc(cc12)C(=O)N(C)[*:1]
Cc1n[nH]c2ncc(C(=O)N(C)CCc3cccs3)cc12 c1csc(c1)[*:1] Cc1n[nH]c2ncc(cc12)C(=O)N(C)CC[*:1]
Cc1ncc(C(=O)N2CCCCC2)c([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 OC1(CCCCC1)C[*:1] Cc1ncc(C(=O)N2CCCCC2)c(n1)[C@@H]1CCCN1C(=O)[*:1]
Cc1ncc(C(=O)N2CCCCC2)c([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 OC1(CCCCC1)[*:1] Cc1ncc(C(=O)N2CCCCC2)c(n1)[C@@H]1CCCN1C(=O)C[*:1]
Cc1ncc(C(=O)N2CCCCC2)c([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 O=C(N1CCCCC1)[*:1] Cc1ncc(c(n1)[C@@H]1CCCN1C(=O)CC1(O)CCCCC1)[*:1]
CCOc1ccc([C@@H]([NH3+])c2n[nH]c(-c3cccc(C)c3)n2)cc1OC Cc1cccc(c1)[*:1] CCOc1ccc(cc1OC)[C@@H]([NH3+])c1n[nH]c(n1)[*:1]
CCOc1ccc([C@@H]([NH3+])c2n[nH]c(-c3cccc(C)c3)n2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H]([NH3+])c1n[nH]c(n1)-c1cccc(C)c1
O=[N+]([O-])c1ccc2c(c1)CN(Cc1cnc(N3CCOCC3)nc1)CC2 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccc2CCN(Cc3cnc(nc3)[*:1])Cc2c1
O=[N+]([O-])c1ccc2c(c1)CN(Cc1cnc(N3CCOCC3)nc1)CC2 O=[N+]([O-])[*:1] c1nc(ncc1CN1CCc2ccc(cc2C1)[*:1])N1CCOCC1
CCSC[C@H](C)N(C)C(=O)Cc1cn2ccsc2n1 CCSC[*:1] C[C@H](N(C)C(=O)Cc1cn2ccsc2n1)[*:1]
CCSC[C@H](C)N(C)C(=O)Cc1cn2ccsc2n1 CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)Cc1cn2ccsc2n1
CCCn1c2ccc([C@H](C)O)cc2c2cc([C@@H](C)O)ccc21 C[C@H](O)[*:1] CCCn1c2ccc(cc2c2cc(ccc21)[*:1])[C@@H](C)O
CCCn1c2ccc([C@H](C)O)cc2c2cc([C@@H](C)O)ccc21 CCC[*:1] C[C@H](O)c1ccc2c(c1)c1cc(ccc1n2[*:1])[C@@H](C)O
CCn1nnc2cc(C(=O)N(c3ccccc3)c3nc(C)cs3)ccc21 c1ccc(cc1)[*:1] CCn1nnc2cc(ccc21)C(=O)N(c1nc(C)cs1)[*:1]
CCn1nnc2cc(C(=O)N(c3ccccc3)c3nc(C)cs3)ccc21 Cc1csc(n1)[*:1] CCn1nnc2cc(ccc21)C(=O)N(c1ccccc1)[*:1]
COc1ccc(C(=O)NN/C(C)=C\C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NN/C(C)=C\C(=O)[*:1]
CCOc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)o2)cc1 CCOc1ccc(cc1)[*:1] N#Cc1nc(oc1N1CCN(CC1)C(=O)c1ccc(Cl)cc1)[*:1]
CCOc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)o2)cc1 CCO[*:1] N#Cc1nc(oc1N1CCN(CC1)C(=O)c1ccc(Cl)cc1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)o2)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1nc(C#N)c(o1)N1CCN(CC1)C(=O)[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Cl)C(=O)Nc1nnc(-c2ccccc2)s1 CC[C@@H](C)[*:1] C[C@@H](Cl)C(=O)N[C@H](C(=O)Nc1nnc(s1)-c1ccccc1)[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Cl)C(=O)Nc1nnc(-c2ccccc2)s1 C[C@@H](Cl)[*:1] CC[C@@H](C)[C@H](NC(=O)[*:1])C(=O)Nc1nnc(s1)-c1ccccc1
CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Cl)C(=O)Nc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Cl)C(=O)Nc1nnc(s1)[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Cl)C(=O)Nc1nnc(-c2ccccc2)s1 C[C@@H](Cl)C(=O)N[*:1] CC[C@@H](C)[C@H](C(=O)Nc1nnc(s1)-c1ccccc1)[*:1]
COCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C COC[*:1] Cc1ccc(cc1NC(=O)[C@H](C)C[*:1])S(=O)(=O)N(C)C
COCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C COCC[*:1] Cc1ccc(cc1NC(=O)[C@H](C)[*:1])S(=O)(=O)N(C)C
COCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C COCC[C@@H](C)[*:1] Cc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N(C)C
COCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C CN(C)S(=O)(=O)[*:1] COCC[C@@H](C)C(=O)Nc1cc(ccc1C)[*:1]
CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F CC(=O)[*:1] Cc1cc(F)c(cc1[N+](=O)[O-])S(=O)(=O)[N-]c1ccccc1[*:1]
CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F O=[N+]([O-])[*:1] CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(c(C)cc1F)[*:1]
COc1ccc(-c2ccc(=O)n(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)n2)c(F)c1 COc1ccc(c(F)c1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N1CC[C@@]2(O)CCCC[C@H]2C1
C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc2c(c1)NC(=O)CO2 c1ccc(cc1)[*:1] C[C@H](N[C@@H]1CCN(C1=O)[*:1])c1ccc2OCC(=O)Nc2c1
COC(=O)c1cc(F)c(C)c(NCc2nnc(Cc3ccccc3)o2)c1 COC(=O)[*:1] Cc1c(F)cc(cc1NCc1nnc(Cc2ccccc2)o1)[*:1]
COC(=O)c1cc(F)c(C)c(NCc2nnc(Cc3ccccc3)o2)c1 c1ccc(cc1)[*:1] COC(=O)c1cc(F)c(C)c(c1)NCc1nnc(C[*:1])o1
COC(=O)c1cc(F)c(C)c(NCc2nnc(Cc3ccccc3)o2)c1 c1ccc(cc1)C[*:1] COC(=O)c1cc(F)c(C)c(c1)NCc1nnc(o1)[*:1]
Cc1oc(-c2ccccc2NS(=O)(=O)N(C)C)nc1CNC(=O)[C@@H]1CC(=O)OC12CCCCC2 CN(C)S(=O)(=O)N[*:1] Cc1oc(nc1CNC(=O)[C@@H]1CC(=O)OC12CCCCC2)-c1ccccc1[*:1]
Cc1ccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc2OCOc2c1
Cc1ccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 Cc1ccc(cc1)C[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])c1ccc2OCOc2c1
Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccccc3Cl)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccccc1Cl)C1(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccccc3Cl)CC2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)C1(CC1)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccccc3Cl)CC2)cc1 Clc1ccccc1C[*:1] Cc1ccc(cc1)S(=O)(=O)C1(CC1)C(=O)N[*:1]
COC(=O)CCN(C(=O)[C@@H]1CCO[C@@H]1C)c1cccc(F)c1 Fc1cccc(c1)[*:1] COC(=O)CCN(C(=O)[C@@H]1CCO[C@@H]1C)[*:1]
COC(=O)CCN(C(=O)[C@@H]1CCO[C@@H]1C)c1cccc(F)c1 COC(=O)CC[*:1] C[C@H]1OCC[C@H]1C(=O)N(c1cccc(F)c1)[*:1]
COC(=O)CCN(C(=O)[C@@H]1CCO[C@@H]1C)c1cccc(F)c1 COC(=O)[*:1] C[C@H]1OCC[C@H]1C(=O)N(CC[*:1])c1cccc(F)c1
COC(=O)CCN(C(=O)[C@@H]1CCO[C@@H]1C)c1cccc(F)c1 COC(=O)C[*:1] C[C@H]1OCC[C@H]1C(=O)N(C[*:1])c1cccc(F)c1
COc1ccc(C(=O)/C=C(\Nc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 FC(F)(F)[*:1] COc1ccc(cc1)C(=O)/C=C(\Nc1cccc(c1)[*:1])C(=O)[O-]
COc1ccc(C(=O)/C=C(\Nc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)C(=O)/C=C(\Nc1cccc(c1)C(F)(F)F)[*:1]
COc1ccc(C(=O)/C=C(\Nc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 COc1ccc(cc1)[*:1] O=C([O-])/C(=C/C(=O)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCc2n[nH]cc2C1 c1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])N1CCc2n[nH]cc2C1
Cc1cc(C)n2nc(CC(=O)N[C@@H](c3ccc(Cl)cc3)C(C)C)nc2n1 Clc1ccc(cc1)[*:1] Cc1cc(C)n2nc(CC(=O)N[C@@H](C(C)C)[*:1])nc2n1
Cc1cc(C)n2nc(CC(=O)N[C@@H](c3ccc(Cl)cc3)C(C)C)nc2n1 CC(C)[*:1] Cc1cc(C)n2nc(CC(=O)N[C@@H](c3ccc(Cl)cc3)[*:1])nc2n1
COCc1ccc(C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)o1 COC[*:1] CO[C@]1(C)C[C@H](NC(=O)c2ccc(o2)[*:1])C1(C)C
CN(C)C(=O)CCNC(=O)NCC1CCC(C(=O)[O-])CC1 CN(C)C(=O)C[*:1] O=C(NCC1CCC(CC1)C(=O)[O-])NC[*:1]
CN(C)C(=O)CCNC(=O)NCC1CCC(C(=O)[O-])CC1 CN(C)C(=O)CC[*:1] O=C(NCC1CCC(CC1)C(=O)[O-])N[*:1]
CN(C)C(=O)CCNC(=O)NCC1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] CN(C)C(=O)CCNC(=O)NCC1CCC(CC1)[*:1]
CN(C)C(=O)CCNC(=O)NCC1CCC(C(=O)[O-])CC1 CN(C)C(=O)[*:1] O=C(NCC[*:1])NCC1CCC(CC1)C(=O)[O-]
Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] Cc1c(nnn1-c1cccc2CN(CCc21)[*:1])C(=O)N1CCOC[C@H]1C
Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] Cc1c(nnn1-c1cccc2CN(CCc21)C[*:1])C(=O)N1CCOC[C@H]1C
COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1nc(-c2ccccc2Cl)cs1 COC(=O)[*:1] C[C@@H](Sc1ccccc1C(=O)Nc1nc(cs1)-c1ccccc1Cl)[*:1]
COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1nc(-c2ccccc2Cl)cs1 Clc1ccccc1[*:1] COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1nc(cs1)[*:1]
O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(cc1)C[*:1]
O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(Cn2cncn2)cc1 O=C([O-])[*:1] O=S(=O)(Nc1ccc(cc1)Cn1cncn1)c1ccsc1[*:1]
O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(Cn2cncn2)cc1 O=C([O-])c1sccc1[*:1] O=S(=O)(Nc1ccc(cc1)Cn1cncn1)[*:1]
O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1cc(-c2c(C)nn(C)c2C)nc2c3c(C)cc(C(F)(F)F)nc3nn12 Cc1nn(C)c(C)c1[*:1] COC(=O)c1cc(nc2c3c(C)cc(nc3nn12)C(F)(F)F)[*:1]
COC(=O)c1cc(-c2c(C)nn(C)c2C)nc2c3c(C)cc(C(F)(F)F)nc3nn12 COC(=O)[*:1] Cc1nn(C)c(C)c1-c1cc(n2nc3nc(cc(C)c3c2n1)C(F)(F)F)[*:1]
COC(=O)c1cc(-c2c(C)nn(C)c2C)nc2c3c(C)cc(C(F)(F)F)nc3nn12 FC(F)(F)[*:1] COC(=O)c1cc(nc2c3c(C)cc(nc3nn12)[*:1])-c1c(C)nn(C)c1C
CCc1nc(N(C)C)c2c3c(sc2n1)CCC3 CN(C)[*:1] CCc1nc(c2c3CCCc3sc2n1)[*:1]
C[C@H]1CCC[C@@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 C[C@H]1CCC[C@H](C1)C[*:1] CC(C)(C)OC(=O)N1CCN(C(=O)[*:1])[C@@H](C#N)C1
C[C@H]1CCC[C@@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 C[C@H]1CCC[C@@H](C1)[*:1] CC(C)(C)OC(=O)N1CCN(C(=O)C[*:1])[C@@H](C#N)C1
C[C@H]1CCC[C@@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 CC(C)(C)[*:1] C[C@H]1CCC[C@@H](CC(=O)N2CCN(C[C@@H]2C#N)C(=O)O[*:1])C1
C[C@H](C1CC1)n1nccc1NC(=O)c1cccnc1Sc1ccccc1 c1ccc(cc1)[*:1] C[C@H](C1CC1)n1nccc1NC(=O)c1cccnc1S[*:1]
C[C@H](C1CC1)n1nccc1NC(=O)c1cccnc1Sc1ccccc1 C1CC1[*:1] C[C@H](n1nccc1NC(=O)c1cccnc1Sc1ccccc1)[*:1]
C[C@H](C1CC1)n1nccc1NC(=O)c1cccnc1Sc1ccccc1 c1ccc(cc1)S[*:1] C[C@H](C1CC1)n1nccc1NC(=O)c1cccnc1[*:1]
C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(CC)C1 Fc1ccccc1[*:1] C=CCN(C[*:1])C(=O)[C@H]1CC(=O)N(CC)C1
C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(CC)C1 C=CC[*:1] CCN1C[C@H](CC1=O)C(=O)N(Cc1ccccc1F)[*:1]
CCOc1ccc(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)CC2)cc1 CCO[*:1] Cc1ccc(cc1)Cn1c(=O)c(nc2cccnc21)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1c(=O)c(nc2cccnc21)N1CCC(CC1)C(=O)N[*:1]
CCOc1ccc(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)CC2)cc1 Cc1ccc(cc1)C[*:1] CCOc1ccc(cc1)NC(=O)C1CCN(CC1)c1nc2cccnc2n(c1=O)[*:1]
CCOc1ccc(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)CC2)cc1 CCOc1ccc(cc1)NC(=O)[*:1] Cc1ccc(cc1)Cn1c(=O)c(nc2cccnc21)N1CCC(CC1)[*:1]
CCOc1ccc(NC(=O)C2CCN(c3nc4cccnc4n(Cc4ccc(C)cc4)c3=O)CC2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)C1CCN(CC1)c1nc2cccnc2n(C[*:1])c1=O
OC[C@H](O)CSCc1noc(-c2ccc(Cl)cc2)n1 OC[C@H](O)[*:1] Clc1ccc(cc1)-c1nc(CSC[*:1])no1
Cc1c(CSC(C)C)cccc1NC(=O)N(C)Cc1ncnn1C CC(C)[*:1] Cc1c(cccc1NC(=O)N(C)Cc1ncnn1C)CS[*:1]
Cc1c(CSC(C)C)cccc1NC(=O)N(C)Cc1ncnn1C CC(C)SC[*:1] Cc1c(cccc1[*:1])NC(=O)N(C)Cc1ncnn1C
Cc1c(CSC(C)C)cccc1NC(=O)N(C)Cc1ncnn1C Cn1ncnc1[*:1] Cc1c(cccc1NC(=O)N(C)C[*:1])CSC(C)C
Cc1c(CSC(C)C)cccc1NC(=O)N(C)Cc1ncnn1C Cn1ncnc1C[*:1] Cc1c(cccc1NC(=O)N(C)[*:1])CSC(C)C
Cc1c(CSC(C)C)cccc1NC(=O)N(C)Cc1ncnn1C CC(C)S[*:1] Cc1c(cccc1NC(=O)N(C)Cc1ncnn1C)C[*:1]
C=CC[NH+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)NC)c1 N#Cc1cccc(c1)[*:1] C=CC[NH+](Cc1cccc(c1)C(=O)NC)C[*:1]
C=CC[NH+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)NC)c1 CNC(=O)[*:1] C=CC[NH+](Cc1cccc(C#N)c1)Cc1cccc(c1)[*:1]
N#CCSCCC[NH+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 N#CCS[*:1] N#Cc1ccc(cc1)CN1CC[NH+](CCC[*:1])CC1=O
N#CCSCCC[NH+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 N#CCSCC[*:1] N#Cc1ccc(cc1)CN1CC[NH+](CC1=O)C[*:1]
N#CCSCCC[NH+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 N#CCSC[*:1] N#Cc1ccc(cc1)CN1CC[NH+](CC[*:1])CC1=O
N#CCSCCC[NH+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 N#CC[*:1] N#Cc1ccc(cc1)CN1CC[NH+](CCCS[*:1])CC1=O
CCOC(=O)c1sc(NC(=O)N2CCSC(C)(C)C2)cc1C CCOC(=O)[*:1] Cc1cc(NC(=O)N2CCSC(C)(C)C2)sc1[*:1]
CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nn2cnnc2)cc1 O=C(Nn1cnnc1)[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1[*:1]
CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nn2cnnc2)cc1 CCO[*:1] O=C(Nn1cnnc1)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(SCC(=O)NNC(=O)Cc2ccc(C)c(O)c2)cc1 Cc1ccc(cc1)S[*:1] Cc1ccc(cc1O)CC(=O)NNC(=O)C[*:1]
Cc1ccc(SCC(=O)NNC(=O)Cc2ccc(C)c(O)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1O)CC(=O)NNC(=O)CS[*:1]
Cc1ccc(SCC(=O)NNC(=O)Cc2ccc(C)c(O)c2)cc1 Cc1ccc(cc1O)[*:1] Cc1ccc(cc1)SCC(=O)NNC(=O)C[*:1]
CCOc1ccccc1NC(=O)COC(=O)c1ccccc1F CCO[*:1] O=C(COC(=O)c1ccccc1F)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)COC(=O)c1ccccc1F Fc1ccccc1[*:1] CCOc1ccccc1NC(=O)COC(=O)[*:1]
COCCN1C(N)=[NH+]C[C@@]1(C)CCc1ccccc1 c1ccc(cc1)[*:1] COCCN1C(N)=[NH+]C[C@@]1(C)CC[*:1]
COCCN1C(N)=[NH+]C[C@@]1(C)CCc1ccccc1 COC[*:1] C[C@@]1(CCc2ccccc2)C[NH+]=C(N)N1C[*:1]
COCCN1C(N)=[NH+]C[C@@]1(C)CCc1ccccc1 COCC[*:1] C[C@@]1(CCc2ccccc2)C[NH+]=C(N)N1[*:1]
CC[C@H]1C[C@@](O)(c2cccc(OC(C)C)c2)CCO1 CC(C)O[*:1] CC[C@H]1C[C@](O)(CCO1)c1cccc(c1)[*:1]
CC[C@H]1C[C@@](O)(c2cccc(OC(C)C)c2)CCO1 CC(C)[*:1] CC[C@H]1C[C@](O)(CCO1)c1cccc(c1)O[*:1]
CN(C)S(=O)(=O)c1ccc(I)c(C(=O)Nc2cnn(C)c2)c1 CN(C)S(=O)(=O)[*:1] Cn1cc(cn1)NC(=O)c1cc(ccc1I)[*:1]
CN(C)S(=O)(=O)c1ccc(I)c(C(=O)Nc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] CN(C)S(=O)(=O)c1ccc(I)c(c1)C(=O)N[*:1]
N[C@H]1CCCn2c1nc1cc([N+](=O)[O-])ccc1c2=O O=[N+]([O-])[*:1] N[C@H]1CCCn2c1nc1cc(ccc1c2=O)[*:1]
C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)C1(C)CC1 CC1(CC1)[*:1] C[C@@H]([NH2+]Cc1nnc(s1)-c1ccccc1)[*:1]
C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)C1(C)CC1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]Cc1nnc(s1)[*:1])C1(C)CC1
O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@H]1[*:1]
COCCOc1cc(C)ccc1NC(=O)[C@H]1CCOc2ccccc21 COCCO[*:1] Cc1ccc(NC(=O)[C@H]2CCOc3ccccc32)c(c1)[*:1]
COCCOc1cc(C)ccc1NC(=O)[C@H]1CCOc2ccccc21 COC[*:1] Cc1ccc(NC(=O)[C@H]2CCOc3ccccc32)c(c1)OC[*:1]
COCCOc1cc(C)ccc1NC(=O)[C@H]1CCOc2ccccc21 COCC[*:1] Cc1ccc(NC(=O)[C@H]2CCOc3ccccc32)c(c1)O[*:1]
C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)NC[*:1]
C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)N[*:1]
CC1=c2cc(Br)ccc2=[NH+][C@H]1C(=O)NCc1ccccn1 c1ccc(C[*:1])nc1 CC1=c2cc(Br)ccc2=[NH+][C@H]1C(=O)N[*:1]
CC1=c2cc(Br)ccc2=[NH+][C@H]1C(=O)NCc1ccccn1 c1ccc(nc1)[*:1] CC1=c2cc(Br)ccc2=[NH+][C@H]1C(=O)NC[*:1]
C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](C)NC(=O)c1ccoc1 c1cc(co1)[*:1] C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](C)NC(=O)[*:1]
C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](C)NC(=O)c1ccoc1 Clc1cccc(c1)[*:1] C[C@H](C[*:1])NC(=O)[C@@H](C)NC(=O)c1ccoc1
CC(C)c1ccc(OCc2nnc(SCc3ccccc3F)n2N)cc1 Fc1ccccc1C[*:1] CC(C)c1ccc(cc1)OCc1nnc(S[*:1])n1N
CC(C)c1ccc(OCc2nnc(SCc3ccccc3F)n2N)cc1 CC(C)[*:1] Nn1c(COc2ccc(cc2)[*:1])nnc1SCc1ccccc1F
CC(C)c1ccc(OCc2nnc(SCc3ccccc3F)n2N)cc1 Fc1ccccc1[*:1] CC(C)c1ccc(cc1)OCc1nnc(SC[*:1])n1N
COc1ccc(C2(CNc3nnnn3-c3ccccc3)CCOCC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1(CCOCC1)CNc1nnnn1[*:1]
COc1ccc(C2(CNc3nnnn3-c3ccccc3)CCOCC2)cc1 COc1ccc(cc1)[*:1] c1ccc(cc1)-n1nnnc1NCC1(CCOCC1)[*:1]
O=C(C[C@H]1CCc2ccccc21)N1CCC(n2cnnc2)CC1 c1nncn1[*:1] O=C(C[C@H]1CCc2ccccc21)N1CCC(CC1)[*:1]
CN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C(=O)N1CCCCCC1)S2 c1coc(c1)C[*:1] CN(S(=O)(=O)c1ccc2S[C@@H](C(=O)Nc2c1)C(=O)N1CCCCCC1)[*:1]
CN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C(=O)N1CCCCCC1)S2 c1coc(c1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc2S[C@@H](C(=O)Nc2c1)C(=O)N1CCCCCC1
CN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C(=O)N1CCCCCC1)S2 O=C(N1CCCCCC1)[*:1] CN(Cc1ccco1)S(=O)(=O)c1ccc2S[C@H](C(=O)Nc2c1)[*:1]
COc1cc(C[NH2+]C[C@H](O)C2CCOCC2)cc(Br)c1O C1CC(CCO1)[*:1] COc1cc(cc(Br)c1O)C[NH2+]C[C@H](O)[*:1]
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)c1 Cc1ccc(o1)C(=O)[*:1] COc1cccc(c1)[C@H]1C(=C(O)C(=O)N1Cc1ccco1)[*:1]
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)c1 Cc1ccc(o1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)[*:1])=C(O)C(=O)N1Cc1ccco1
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)c1 COc1cccc(c1)[*:1] Cc1ccc(o1)C(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1[*:1]
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)c1 c1coc(c1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)c2ccc(C)o2)=C(O)C(=O)N1C[*:1]
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)c1 c1coc(c1)C[*:1] COc1cccc(c1)[C@H]1C(C(=O)c2ccc(C)o2)=C(O)C(=O)N1[*:1]
CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)nn12 Clc1ccccc1C[*:1] CC(C)c1nnc2ccc(nn12)N1CCC[C@@H](C1)C(=O)N[*:1]
CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)nn12 Clc1ccccc1[*:1] CC(C)c1nnc2ccc(nn12)N1CCC[C@@H](C1)C(=O)NC[*:1]
CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)nn12 CC(C)[*:1] O=C(NCc1ccccc1Cl)[C@H]1CCCN(C1)c1ccc2nnc(n2n1)[*:1]
Cc1ccc2c(c1)cc1c(=O)n(CC(=O)NCCC(C)C)nc(C)n12 CC(C)CC[*:1] Cc1ccc2c(c1)cc1c(=O)n(CC(=O)N[*:1])nc(C)n12
Cc1ccc2c(c1)cc1c(=O)n(CC(=O)NCCC(C)C)nc(C)n12 CC(C)[*:1] Cc1ccc2c(c1)cc1c(=O)n(CC(=O)NCC[*:1])nc(C)n12
Cc1ccc2c(c1)cc1c(=O)n(CC(=O)NCCC(C)C)nc(C)n12 CC(C)CCNC(=O)[*:1] Cc1ccc2c(c1)cc1c(=O)n(C[*:1])nc(C)n12
Cc1ccc2c(c1)cc1c(=O)n(CC(=O)NCCC(C)C)nc(C)n12 CC(C)C[*:1] Cc1ccc2c(c1)cc1c(=O)n(CC(=O)NC[*:1])nc(C)n12
CC(C)N1C[C@H](C(=O)N2CCC(N(C)c3ccccc3)CC2)CC1=O CN(c1ccccc1)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
CC(C)N1C[C@H](C(=O)N2CCC(N(C)c3ccccc3)CC2)CC1=O c1ccc(cc1)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)N(C)[*:1]
CC(C)N1C[C@H](C(=O)N2CCC(N(C)c3ccccc3)CC2)CC1=O CC(C)[*:1] CN(c1ccccc1)C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C1=NN=C(c2ccc(-c3ccccc3)cc2)[C@@H]1CN1CCCO1 C1CON(C1)[*:1] C1=NN=C(c2ccc(cc2)-c2ccccc2)[C@@H]1C[*:1]
C1=NN=C(c2ccc(-c3ccccc3)cc2)[C@@H]1CN1CCCO1 c1ccc(cc1)[*:1] C1=NN=C(c2ccc(cc2)[*:1])[C@@H]1CN1CCCO1
Cn1cnc(CCNC(=O)c2ccncc2Cl)n1 Cn1cnc(n1)[*:1] O=C(NCC[*:1])c1ccncc1Cl
Cc1cc(C)n([C@@H](C)C(=O)N[C@H]2CCCc3occc32)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C(=O)N[C@H]1CCCc2occc21)[*:1]
CCCn1cnc2c1CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H](C(=O)OC)C2 COC(=O)[*:1] CCCn1cnc2C[C@@H](N(Cc21)S(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
CCCn1cnc2c1CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H](C(=O)OC)C2 FC(F)(F)[*:1] CCCn1cnc2C[C@@H](C(=O)OC)N(Cc21)S(=O)(=O)c1cccc(c1)[*:1]
CCCn1cnc2c1CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H](C(=O)OC)C2 CCC[*:1] COC(=O)[C@@H]1Cc2ncn(c2CN1S(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
CC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1)[*:1]
CC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)C(=O)N[*:1])c1ccc(C)cc1
COc1ccccc1[C@H](CNC(=O)/C=C/c1ccco1)[NH+]1CCCCC1 C(=C[*:1])c1ccco1 COc1ccccc1[C@H](CNC(=O)[*:1])[NH+]1CCCCC1
COc1ccccc1[C@H](CNC(=O)/C=C/c1ccco1)[NH+]1CCCCC1 COc1ccccc1[*:1] O=C(/C=C/c1ccco1)NC[C@H]([NH+]1CCCCC1)[*:1]
COc1ccccc1[C@H](CNC(=O)/C=C/c1ccco1)[NH+]1CCCCC1 c1coc(c1)[*:1] COc1ccccc1[C@H](CNC(=O)C=C[*:1])[NH+]1CCCCC1
Cc1cccc(C(=O)O[C@H](C)c2ccccc2N(C)C)n1 CN(C)[*:1] Cc1cccc(n1)C(=O)O[C@H](C)c1ccccc1[*:1]
Cc1cccc(C(=O)O[C@H](C)c2ccccc2N(C)C)n1 Cc1cccc(n1)[*:1] C[C@@H](OC(=O)[*:1])c1ccccc1N(C)C
CC[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 c1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1ccc2OCC[C@H]3CCCCN3C(=O)c2c1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 C[C@@H](Oc1ccccc1)[*:1] O=C1c2cc(ccc2OCC[C@H]2CCCCN12)NC(=O)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc2OCC[C@H]3CCCCN3C(=O)c2c1
CCc1ccccc1OCC(=O)NC(C)(C)C CC(C)(C)[*:1] CCc1ccccc1OCC(=O)N[*:1]
COCCN(C)C(=O)/C=C/c1cccc2ccccc12 COCC[*:1] CN(C(=O)/C=C/c1cccc2ccccc12)[*:1]
COCCN(C)C(=O)/C=C/c1cccc2ccccc12 COC[*:1] CN(C[*:1])C(=O)/C=C/c1cccc2ccccc12
O=C(Cc1c[nH]c2ccccc12)N1CCC(Nc2cccnc2)CC1 c1cncc(c1)[*:1] O=C(Cc1c[nH]c2ccccc12)N1CCC(CC1)N[*:1]
O=C(Cc1c[nH]c2ccccc12)N1CCC(Nc2cccnc2)CC1 c1cncc(c1)N[*:1] O=C(Cc1c[nH]c2ccccc12)N1CCC(CC1)[*:1]
CC(=O)N1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 c1cc2OCCOc2cc1[*:1] CC(=O)N1CCN(CC1)c1nc2ccccc2nc1NS(=O)(=O)[*:1]
CC(=O)N1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 CC(=O)N1CCN(CC1)[*:1] O=S(=O)(Nc1nc2ccccc2nc1[*:1])c1ccc2OCCOc2c1
O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)C1CCCCC1 C1CCC(CC1)[*:1] O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CCNC(=O)[*:1]
O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)C1CCCCC1 Fc1ccc(cc1)[*:1] O=C(NCCN1C(=O)SC(=C[*:1])C1=O)C1CCCCC1
CCCN(C)C(=O)/C=C1/Sc2ccccc2N(C)C1=O CCC[*:1] CN1C(=O)/C(=C\C(=O)N(C)[*:1])Sc2ccccc21
COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C O=C(N1CCOCC1)[*:1] COc1cc(C=C(C#N)[*:1])ccc1OC(=O)c1cccc(c1C)[N+](=O)[O-]
COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C Cc1c(cccc1[*:1])[N+](=O)[O-] COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)[*:1]
COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cccc(c1C)[*:1]
C[C@@H](Cc1cccs1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O c1csc(c1)C[*:1] C[C@@H](C(=O)N[C@@H]1CCN(C1=O)c1c(F)cccc1F)[*:1]
C[C@@H](Cc1cccs1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O c1csc(c1)[*:1] C[C@@H](C[*:1])C(=O)N[C@@H]1CCN(C1=O)c1c(F)cccc1F
C[C@@H](Cc1cccs1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O C[C@@H](Cc1cccs1)[*:1] O=C1[C@@H](CCN1c1c(F)cccc1F)NC(=O)[*:1]
C[C@@H](Cc1cccs1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] C[C@@H](Cc1cccs1)C(=O)N[C@@H]1CCN(C1=O)[*:1]
O=C(Nc1nnc([C@H]2CCCO2)o1)c1ccc(N2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] O=C(Nc1nnc(o1)[C@H]1CCCO1)c1ccc(cc1)[*:1]
C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)N1c2ccccc2NC(=O)C1(C)C C1CO[C@@H](C1)C[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)N1c2ccccc2NC(=O)C1(C)C
C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)N1c2ccccc2NC(=O)C1(C)C C1CO[C@@H](C1)[*:1] C[C@@H](Sc1nnnn1C[*:1])C(=O)N1c2ccccc2NC(=O)C1(C)C
O=C(c1occc1Br)N1CCC[C@@H]1c1ccc(F)cc1 Brc1ccoc1[*:1] O=C(N1CCC[C@@H]1c1ccc(F)cc1)[*:1]
Cc1ccc(OCC(=O)N2CCCN(C(=O)COc3ccc(C)cc3C)CC2)c(C)c1 Cc1ccc(OC[*:1])c(C)c1 Cc1ccc(OCC(=O)N2CCCN(CC2)C(=O)[*:1])c(C)c1
Cc1ccc(OCC(=O)N2CCCN(C(=O)COc3ccc(C)cc3C)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(OCC(=O)N2CCCN(CC2)C(=O)CO[*:1])c(C)c1
Cc1ccc(OCC(=O)N2CCCN(C(=O)COc3ccc(C)cc3C)CC2)c(C)c1 Cc1ccc(O[*:1])c(C)c1 Cc1ccc(OCC(=O)N2CCCN(CC2)C(=O)C[*:1])c(C)c1
C/C(=N/NC(=O)CNc1ccccc1Cl)c1ccco1 c1coc(c1)[*:1] CC(=NNC(=O)CNc1ccccc1Cl)[*:1]
NC(=O)c1c(F)cc(Br)cc1NC[C@@H]1CN(C2CC2)CCO1 C1CC1[*:1] NC(=O)c1c(F)cc(Br)cc1NC[C@@H]1CN(CCO1)[*:1]
NC(=O)c1c(F)cc(Br)cc1NC[C@@H]1CN(C2CC2)CCO1 NC(=O)[*:1] Fc1cc(Br)cc(NC[C@@H]2CN(CCO2)C2CC2)c1[*:1]
CC[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](O)c1cc(cc(c1)[*:1])C(F)(F)F
CC[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 CC[C@H](O)[*:1] FC(F)(F)c1cc(cc(c1)[*:1])C(F)(F)F
Cc1cnc(C(=O)Nc2cc(-c3ccc(F)cc3F)no2)cn1 Cc1cnc(cn1)[*:1] O=C(Nc1cc(no1)-c1ccc(F)cc1F)[*:1]
COC(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H](C)C2)c(O)c1 COC(=O)[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)Nc1ccc(cc1O)[*:1]
CCOc1cc(NC(=O)C(=O)NCc2ccc(OC)c(C)c2)ccc1C CCO[*:1] COc1ccc(cc1C)CNC(=O)C(=O)Nc1ccc(C)c(c1)[*:1]
Cc1ccccc1CNC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] Cc1ccccc1CNC(=O)C[NH+]1CCC(CC1)[*:1]
Cc1ccccc1CNC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 Cc1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)c1nc2ccccc2s1)NC[*:1]
Cc1ccccc1CNC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 Cc1ccccc1C[*:1] O=C(C[NH+]1CCC(CC1)c1nc2ccccc2s1)N[*:1]
Cc1ccc(-n2cnnn2)cc1NC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)CC[*:1])-n1cnnn1
Cc1ccc(-n2cnnn2)cc1NC(=O)CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1NC(=O)C[*:1])-n1cnnn1
Cc1ccc(-n2cnnn2)cc1NC(=O)CCc1ccccc1 c1nnnn1[*:1] Cc1ccc(cc1NC(=O)CCc1ccccc1)[*:1]
COc1ccccc1[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1nccn1C COc1ccccc1[*:1] Cn1ccnc1[C@H](NC(=O)c1ccc2SCC(=O)Nc2c1)[*:1]
COc1ccccc1[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@@H](NC(=O)c1ccc2SCC(=O)Nc2c1)[*:1]
Cc1cc2c(n1CCC(=O)NC1CC1)CC(C)(C)CC2=O O=C(C[*:1])NC1CC1 Cc1cc2C(=O)CC(C)(C)Cc2n1C[*:1]
Cc1cc2c(n1CCC(=O)NC1CC1)CC(C)(C)CC2=O O=C(NC1CC1)[*:1] Cc1cc2C(=O)CC(C)(C)Cc2n1CC[*:1]
Cc1cc2c(n1CCC(=O)NC1CC1)CC(C)(C)CC2=O C1CC1[*:1] Cc1cc2C(=O)CC(C)(C)Cc2n1CCC(=O)N[*:1]
C[NH+]1CCN(c2ncnc3c2sc2nc(N4CCCC4)c4c(c23)CC(C)(C)OC4)CC1 C1CCN(C1)[*:1] C[NH+]1CCN(CC1)c1ncnc2c1sc1nc(c3COC(C)(C)Cc3c12)[*:1]
CN(Cc1nc(-c2cccnc2)no1)c1ccnc(C(C)(C)C)n1 CC(C)(C)[*:1] CN(Cc1nc(no1)-c1cccnc1)c1ccnc(n1)[*:1]
CN(Cc1nc(-c2cccnc2)no1)c1ccnc(C(C)(C)C)n1 c1cncc(c1)[*:1] CN(Cc1nc(no1)[*:1])c1ccnc(n1)C(C)(C)C
Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)N[*:1]
Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)Nc1cccc(F)c1 c1cncc(c1)[*:1] Cc1nc2ccn(C[*:1])c(=O)c2cc1C(=O)Nc1cccc(F)c1
Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)Nc1cccc(F)c1 c1cncc(c1)C[*:1] Cc1nc2ccn(c(=O)c2cc1C(=O)Nc1cccc(F)c1)[*:1]
CCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 Fc1ccc(cc1)[*:1] CCCNC(=O)c1nn(c2CCCCCc12)[*:1]
CCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 CCC[*:1] O=C(N[*:1])c1nn(-c2ccc(F)cc2)c2CCCCCc12
CCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 CCCNC(=O)[*:1] Fc1ccc(cc1)-n1nc(c2CCCCCc21)[*:1]
CN(C)c1ccc2[nH]c([C@H]3C[C@H]4CC[C@@H]3C4)nc2n1 CN(C)[*:1] c1cc2[nH]c(nc2nc1[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
Cc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)C1CCCCC1 Cc1ccccc1[*:1] CS(=O)(=O)Nc1cccc(c1)C1C[C@@H](N(N=1)C(=O)C1CCCCC1)[*:1]
Cc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)C1CCCCC1 CS(=O)(=O)N[*:1] Cc1ccccc1[C@H]1CC(=NN1C(=O)C1CCCCC1)c1cccc(c1)[*:1]
Cc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)C1CCCCC1 C1CCC(CC1)[*:1] Cc1ccccc1[C@H]1CC(=NN1C(=O)[*:1])c1cccc(c1)NS(C)(=O)=O
CC1(C)CSC[C@@H]([NH2+]C2CCN(c3ncccn3)CC2)C1 c1cnc(nc1)[*:1] CC1(C)CSC[C@H](C1)[NH2+]C1CCN(CC1)[*:1]
CC[C@@](O)(C(C)C)[C@]1(C#N)CCCc2ccccc21 CC(C)[*:1] CC[C@@](O)([C@]1(C#N)CCCc2ccccc21)[*:1]
O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] O=C(C[C@H]1Sc2ccc(cc2NC1=O)C(F)(F)F)Nc1ccc(cc1)S[*:1]
O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] O=C(C[C@H]1Sc2ccc(cc2NC1=O)C(F)(F)F)Nc1ccc(cc1)[*:1]
O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(SC(F)F)cc1 FC(F)(F)[*:1] O=C(C[C@H]1Sc2ccc(cc2NC1=O)[*:1])Nc1ccc(cc1)SC(F)F
Cc1cccc(C[NH+]2CCN(CCN3C(=O)CCC3=O)CC2)c1 O=C1CCC(=O)N1[*:1] Cc1cccc(c1)C[NH+]1CCN(CC1)CC[*:1]
Cc1cccc(C[NH+]2CCN(CCN3C(=O)CCC3=O)CC2)c1 Cc1cccc(c1)[*:1] O=C1CCC(=O)N1CCN1CC[NH+](CC1)C[*:1]
Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)cc1C(F)(F)F CN(C(=O)[*:1])C1CC1 Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CSC[C@@H]1[*:1]
Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C1CC1
Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)cc1C(F)(F)F C1CC1[*:1] Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CSC[C@H]1C(=O)N(C)[*:1]
O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cccc2cn[nH]c12 Fc1cc(ccc1Cl)[*:1] O=C(N[C@@H]1CCO[C@@H]1[*:1])c1cccc2cn[nH]c12
Clc1ccc(-n2c(SCC[NH+]3CCCCC3)nnc2-c2cccnc2)cc1 c1cncc(c1)[*:1] Clc1ccc(cc1)-n1c(nnc1[*:1])SCC[NH+]1CCCCC1
Clc1ccc(-n2c(SCC[NH+]3CCCCC3)nnc2-c2cccnc2)cc1 Clc1ccc(cc1)[*:1] c1cncc(c1)-c1nnc(SCC[NH+]2CCCCC2)n1[*:1]
CC(=O)c1cc2c(cc1NC(=O)Cc1n[nH]c(=O)c3ccccc13)OCO2 CC(=O)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc2OCOc2cc1[*:1]
O=C(Cc1ccc[nH]1)Nc1ccc(Cl)nc1 c1c[nH]c(c1)[*:1] O=C(C[*:1])Nc1ccc(Cl)nc1
CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)cs1 c1ncn(n1)[*:1] CC(C)(C)c1nc(cs1)CN1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)cs1 CC(C)(C)c1nc(cs1)[*:1] c1ncn(n1)-c1ccc(cc1)C[NH+]1CCN(CC1)C[*:1]
CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)cs1 CC(C)(C)[*:1] c1ncn(n1)-c1ccc(cc1)C[NH+]1CCN(CC1)Cc1csc(n1)[*:1]
COc1cc(/C=C/C(=O)N(C(C)C)C2CCC2)cc(OC)c1 CC(C)[*:1] COc1cc(/C=C/C(=O)N(C2CCC2)[*:1])cc(c1)OC
COc1cc(/C=C/C(=O)N(C(C)C)C2CCC2)cc(OC)c1 C1CC(C1)[*:1] COc1cc(/C=C/C(=O)N(C(C)C)[*:1])cc(c1)OC
C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] C[C@H](NC(=O)Cn1c(nc2ccccc21)-c1cscn1)[*:1]
C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(S(N)(=O)=O)cc1 c1nc(cs1)[*:1] C[C@H](NC(=O)Cn1c(nc2ccccc21)[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](NC(=O)Cn1c(nc2ccccc21)-c1cscn1)c1ccc(cc1)[*:1]
COc1cccc(OC)c1C(=O)CCCC(=O)[O-] O=C([O-])[*:1] COc1cccc(OC)c1C(=O)CCC[*:1]
COc1cccc(OC)c1C(=O)CCCC(=O)[O-] O=C([O-])CCC[*:1] COc1cccc(OC)c1C(=O)[*:1]
COc1cccc(OC)c1C(=O)CCCC(=O)[O-] O=C([O-])C[*:1] COc1cccc(OC)c1C(=O)CC[*:1]
COc1cccc(OC)c1C(=O)CCCC(=O)[O-] O=C([O-])CC[*:1] COc1cccc(OC)c1C(=O)C[*:1]
Cc1nnnn1-c1cccc(NCc2cc(=O)n3ccccc3n2)c1 Cc1nnnn1[*:1] O=c1cc(CNc2cccc(c2)[*:1])nc2ccccn12
COC(=O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)cc1 O=[N+]([O-])c1ccc(nc1)[*:1] COC(=O)c1ccc(cc1)-c1ccc(/C=N\N[*:1])o1
COC(=O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)-c1ccc(/C=N\Nc2ccc(cn2)[*:1])o1
COC(=O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)cc1 COC(=O)[*:1] O=[N+]([O-])c1ccc(nc1)N/N=C\c1ccc(o1)-c1ccc(cc1)[*:1]
O=C([O-])C[C@@H]1CN([C@@H]2CCOc3ccccc32)CCO1 O=C([O-])C[*:1] c1ccc2c(c1)OCC[C@H]2N1CCO[C@@H](C1)[*:1]
O=C([O-])C[C@@H]1CN([C@@H]2CCOc3ccccc32)CCO1 O=C([O-])[*:1] c1ccc2c(c1)OCC[C@H]2N1CCO[C@@H](C1)C[*:1]
O=C(c1occc1Br)N1CCS[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1occc1Br)N1CCS[C@H](C1)[*:1]
O=C(c1occc1Br)N1CCS[C@H](c2ccccc2)C1 Brc1ccoc1[*:1] O=C(N1CCS[C@@H](C1)c1ccccc1)[*:1]
CCOC(=O)[C@@H](C)NC(=O)c1cc(Cl)sc1Cl CCOC(=O)[*:1] C[C@@H](NC(=O)c1cc(Cl)sc1Cl)[*:1]
COCCn1c(SCc2cccc(C#N)c2)nc2cc(Cl)ccc2c1=O COCC[*:1] N#Cc1cccc(c1)CSc1nc2cc(Cl)ccc2c(=O)n1[*:1]
COCCn1c(SCc2cccc(C#N)c2)nc2cc(Cl)ccc2c1=O N#Cc1cccc(c1)[*:1] COCCn1c(nc2cc(Cl)ccc2c1=O)SC[*:1]
COCCn1c(SCc2cccc(C#N)c2)nc2cc(Cl)ccc2c1=O COC[*:1] N#Cc1cccc(c1)CSc1nc2cc(Cl)ccc2c(=O)n1C[*:1]
c1ccc(CC2(Cc3csc4ccccc34)C[NH2+]C2)cc1 c1ccc(cc1)[*:1] c1ccc2c(csc2c1)CC1(C[NH2+]C1)C[*:1]
c1ccc(CC2(Cc3csc4ccccc34)C[NH2+]C2)cc1 c1ccc(cc1)C[*:1] c1ccc2c(csc2c1)CC1(C[NH2+]C1)[*:1]
Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)O[C@@H](C)[C@@H]3CCOC3)cc12 C1C[C@H](CO1)[*:1] Cc1nn(C)c2sc(cc12)C(=O)N[C@H](C)C(=O)O[C@@H](C)[*:1]
Cn1cccc1[C@H](O)CNC(=O)c1cccc2ccccc12 Cn1cccc1[*:1] O=C(NC[C@@H](O)[*:1])c1cccc2ccccc12
Cc1c(/C=C/C(=O)C(F)(F)F)c2ccccn2c1CCC#N N#CCC[*:1] Cc1c(/C=C/C(=O)C(F)(F)F)c2ccccn2c1[*:1]
Cc1c(/C=C/C(=O)C(F)(F)F)c2ccccn2c1CCC#N N#CC[*:1] Cc1c(/C=C/C(=O)C(F)(F)F)c2ccccn2c1C[*:1]
Cc1c(/C=C/C(=O)C(F)(F)F)c2ccccn2c1CCC#N O=C(C(F)(F)F)[*:1] Cc1c(C=C[*:1])c2ccccn2c1CCC#N
Cc1c(/C=C/C(=O)C(F)(F)F)c2ccccn2c1CCC#N FC(F)(F)[*:1] Cc1c(/C=C/C(=O)[*:1])c2ccccn2c1CCC#N
CC(C)C[NH2+]Cc1ncnn1[C@H]1CCOC2(CCCC2)C1 CC(C)C[*:1] c1nc(C[NH2+][*:1])n(n1)[C@H]1CCOC2(CCCC2)C1
CC(C)C[NH2+]Cc1ncnn1[C@H]1CCOC2(CCCC2)C1 CC(C)[*:1] c1nc(C[NH2+]C[*:1])n(n1)[C@H]1CCOC2(CCCC2)C1
Cc1cc(C)cc(N2C(=O)C[C@H](c3ccc4c(c3)OCO4)C3=C2COC3=O)c1 Cc1cc(C)cc(c1)[*:1] O=C1OCC2=C1[C@H](CC(=O)N2[*:1])c1ccc2OCOc2c1
Cc1cc(C)cc(N2C(=O)C[C@H](c3ccc4c(c3)OCO4)C3=C2COC3=O)c1 c1cc2OCOc2cc1[*:1] Cc1cc(C)cc(c1)N1C(=O)C[C@H](C2C(=O)OCC=21)[*:1]
COCCN(Cc1ccsc1)C(=O)c1cc(Cl)ccc1OC COCC[*:1] COc1ccc(Cl)cc1C(=O)N(Cc1ccsc1)[*:1]
COCCN(Cc1ccsc1)C(=O)c1cc(Cl)ccc1OC c1cc(cs1)C[*:1] COCCN(C(=O)c1cc(Cl)ccc1OC)[*:1]
COCCN(Cc1ccsc1)C(=O)c1cc(Cl)ccc1OC COC[*:1] COc1ccc(Cl)cc1C(=O)N(Cc1ccsc1)C[*:1]
COCCN(Cc1ccsc1)C(=O)c1cc(Cl)ccc1OC c1cc(cs1)[*:1] COCCN(C[*:1])C(=O)c1cc(Cl)ccc1OC
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CC[NH+]3CCCC3)[C@@H]2c2cccnc2)s1 c1cncc(c1)[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CC[NH+]3CCCC3)[C@@H]2c2cccnc2)s1 Cc1nc(C)c(s1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2cccnc2)N1CC[NH+]1CCCC1)[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CC[NH+]3CCCC3)[C@@H]2c2cccnc2)s1 Cc1nc(C)c(s1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccnc2)N1CC[NH+]1CCCC1
O=C(CC1CCCCC1)N1CCN(C(=O)c2cnn3c2OCCC3)CC1 C1CCC(CC1)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1cnn2CCCOc12
O=C(CC1CCCCC1)N1CCN(C(=O)c2cnn3c2OCCC3)CC1 C1CCC(CC1)C[*:1] O=C(c1cnn2CCCOc12)N1CCN(CC1)C(=O)[*:1]
C[C@H]1CC(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC(CC1)NC(=O)N[*:1]
CCOC(=O)C[C@H](C)CNC(=O)Nc1ccc(F)c(F)c1 CCOC(=O)[*:1] C[C@H](CNC(=O)Nc1ccc(F)c(F)c1)C[*:1]
CCOC(=O)C[C@H](C)CNC(=O)Nc1ccc(F)c(F)c1 CCOC(=O)C[*:1] C[C@H](CNC(=O)Nc1ccc(F)c(F)c1)[*:1]
COc1cc(OC)c(OC)cc1CNC(=O)Cc1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] COc1cc(OC)c(cc1CNC(=O)C[*:1])OC
Cc1ccc2c(c1)CCCN2C(=O)[C@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)C[*:1] Cc1ccc2c(c1)CCCN2C(=O)[C@H](n1cnnn1)[*:1]
Cc1ccc2c(c1)CCCN2C(=O)[C@H](Cc1ccccc1)n1cnnn1 c1nnnn1[*:1] Cc1ccc2c(c1)CCCN2C(=O)[C@H](Cc1ccccc1)[*:1]
Cc1ccc2c(c1)CCCN2C(=O)[C@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)[*:1] Cc1ccc2c(c1)CCCN2C(=O)[C@H](C[*:1])n1cnnn1
O=C([O-])CN(c1ccccc1)[C@H]1CCOC2(CCCC2)C1 O=C([O-])C[*:1] c1ccc(cc1)N([C@H]1CCOC2(CCCC2)C1)[*:1]
O=C([O-])CN(c1ccccc1)[C@H]1CCOC2(CCCC2)C1 O=C([O-])[*:1] c1ccc(cc1)N(C[*:1])[C@H]1CCOC2(CCCC2)C1
O=C([O-])CN(c1ccccc1)[C@H]1CCOC2(CCCC2)C1 c1ccc(cc1)[*:1] O=C([O-])CN([C@H]1CCOC2(CCCC2)C1)[*:1]
CCc1noc(C)c1C(=O)NNC(=O)c1cc(OC)cc(OC)c1 CCc1noc(C)c1[*:1] COc1cc(cc(c1)C(=O)NNC(=O)[*:1])OC
CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)n1nnc(-c2ccc(Cl)cc2)n1 CC(=O)N[*:1] CC[C@@H](C(=O)Nc1ccc(cc1)[*:1])n1nnc(n1)-c1ccc(Cl)cc1
CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)n1nnc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccc(cc1)NC(C)=O)n1nnc(n1)[*:1]
CC(C)COC[C@H](O)CNn1cccc1 CC(C)CO[*:1] O[C@H](CNn1cccc1)C[*:1]
CC(C)COC[C@H](O)CNn1cccc1 CC(C)[*:1] O[C@H](CNn1cccc1)COC[*:1]
CC(C)COC[C@H](O)CNn1cccc1 CC(C)C[*:1] O[C@H](CNn1cccc1)CO[*:1]
O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1C[C@@H]2CCCC[C@H]2C1 O=C(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])N1C[C@@H]2CCCC[C@H]2C1
COc1cccc(C(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)c1 c1csc(c1)[*:1] COc1cccc(c1)C(=O)N1CCC[C@H](C1)c1nnc(o1)[*:1]
COc1cccc(C(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)c1 COc1cccc(c1)[*:1] O=C(N1CCC[C@H](C1)c1nnc(o1)-c1cccs1)[*:1]
FC(F)(F)COc1cccc(CSc2ncc[nH]2)c1 FC(F)(F)CO[*:1] c1cc(cc(c1)[*:1])CSc1ncc[nH]1
FC(F)(F)COc1cccc(CSc2ncc[nH]2)c1 FC(F)(F)[*:1] c1cc(cc(c1)OC[*:1])CSc1ncc[nH]1
FC(F)(F)COc1cccc(CSc2ncc[nH]2)c1 c1c[nH]c(n1)S[*:1] FC(F)(F)COc1cccc(c1)C[*:1]
FC(F)(F)COc1cccc(CSc2ncc[nH]2)c1 FC(F)(F)C[*:1] c1cc(cc(c1)O[*:1])CSc1ncc[nH]1
FC(F)(F)COc1cccc(CSc2ncc[nH]2)c1 c1c[nH]c(n1)[*:1] FC(F)(F)COc1cccc(c1)CS[*:1]
Cc1nc(C[NH2+]Cc2c(C)nn(C)c2Oc2cccnc2)sc1C c1cncc(c1)O[*:1] Cc1nc(C[NH2+]Cc2c(C)nn(C)c2[*:1])sc1C
Cc1nc(C[NH2+]Cc2c(C)nn(C)c2Oc2cccnc2)sc1C Cc1nc(sc1C)[*:1] Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[*:1]
Cc1nc(C[NH2+]Cc2c(C)nn(C)c2Oc2cccnc2)sc1C c1cncc(c1)[*:1] Cc1nc(C[NH2+]Cc2c(C)nn(C)c2O[*:1])sc1C
Cc1nc(C[NH2+]Cc2c(C)nn(C)c2Oc2cccnc2)sc1C Cc1nc(C[*:1])sc1C Cc1nn(C)c(Oc2cccnc2)c1C[NH2+][*:1]
Nc1ccc(S(=O)(=O)[N-][NH3+])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ccc(cc1[*:1])S(=O)(=O)[N-][NH3+]
CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 CCC[C@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)Cc1cccc(Cl)c1
CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] CCC[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CCC[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)C[*:1]
CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 CCC[C@H](C)NC(=O)[*:1] O=S(=O)(Cc1cccc(Cl)c1)N1CCC(CC1)[*:1]
CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 CCC[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)Cc1cccc(Cl)c1)[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccco2)C1 c1coc(c1)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)[*:1]
CCCc1nn(C)c2c1nc(N)n2-c1cc(Cl)ccc1F CCC[*:1] Cn1nc(c2nc(N)n(-c3cc(Cl)ccc3F)c21)[*:1]
CNC(=O)CN1CCC([NH2+][C@@H](c2c(Cl)cccc2Cl)C(C)C)CC1 Clc1cccc(Cl)c1[*:1] CNC(=O)CN1CCC(CC1)[NH2+][C@@H](C(C)C)[*:1]
CNC(=O)CN1CCC([NH2+][C@@H](c2c(Cl)cccc2Cl)C(C)C)CC1 CC(C)[*:1] CNC(=O)CN1CCC(CC1)[NH2+][C@@H](c1c(Cl)cccc1Cl)[*:1]
CNC(=O)CN1CCC([NH2+][C@@H](c2c(Cl)cccc2Cl)C(C)C)CC1 CNC(=O)C[*:1] CC(C)[C@@H]([NH2+]C1CCN(CC1)[*:1])c1c(Cl)cccc1Cl
CNC(=O)CN1CCC([NH2+][C@@H](c2c(Cl)cccc2Cl)C(C)C)CC1 CNC(=O)[*:1] CC(C)[C@@H]([NH2+]C1CCN(CC1)C[*:1])c1c(Cl)cccc1Cl
CC1(C)CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC1(C)CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1cccc(Cl)c1 C=CC[*:1] N#Cc1cccc(c1)CN(C(=O)NCCc1cccc(Cl)c1)[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1cccc(Cl)c1 N#Cc1cccc(c1)[*:1] C=CCN(C[*:1])C(=O)NCCc1cccc(Cl)c1
C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] C=CCN(Cc1cccc(C#N)c1)C(=O)NC[*:1]
COc1ccc(-c2nc3nc(C)c(CC(=O)Nc4ccccc4C)c(C)n3n2)cc1 Cc1ccccc1NC(=O)[*:1] COc1ccc(cc1)-c1nc2nc(C)c(C[*:1])c(C)n2n1
COc1ccc(-c2nc3nc(C)c(CC(=O)Nc4ccccc4C)c(C)n3n2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)Cc1c(C)nc2nc(nn2c1C)[*:1]
COc1ccc(-c2nc3nc(C)c(CC(=O)Nc4ccccc4C)c(C)n3n2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)-c1nc2nc(C)c(CC(=O)N[*:1])c(C)n2n1
C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(F)cc1F CN1CCN(CC1)S(=O)(=O)[*:1] C[C@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])c1ccc(F)cc1F
C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(F)cc1F O=[N+]([O-])[*:1] C[C@H](Nc1ccc(cc1[*:1])S(=O)(=O)N1CCN(C)CC1)c1ccc(F)cc1F
C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H](Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCN(C)CC1)[*:1]
[NH3+][C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1F O=C([O-])[*:1] [NH3+][C@H](c1cc(F)c(F)c(F)c1F)[*:1]
CCOc1ccc(C(=O)N/N=C\c2c(C)[nH]c(=O)[nH]c2=O)cc1 CCO[*:1] Cc1[nH]c(=O)[nH]c(=O)c1/C=N\NC(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(Cl)ccc1Cl
CCn1nc(C(=O)N2CCC(C(N)=O)CC2)ccc1=O NC(=O)[*:1] CCn1nc(ccc1=O)C(=O)N1CCC(CC1)[*:1]
CCOc1ccc(C(=O)Nc2ccnc(C(=O)N(C)C)c2)cc1 CCO[*:1] CN(C)C(=O)c1cc(ccn1)NC(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)Nc2ccnc(C(=O)N(C)C)c2)cc1 CN(C)C(=O)[*:1] CCOc1ccc(cc1)C(=O)Nc1ccnc(c1)[*:1]
CC(=O)c1ccc(NC(=O)N(C)C2CCS(=O)(=O)CC2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N(C)C1CCS(=O)(=O)CC1
CC(C)C[NH2+][C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)[O-] CC(C)C[*:1] O=C(C[C@H]([NH2+][*:1])C(=O)[O-])Nc1cccc(Cl)c1
CC(C)C[NH2+][C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)[O-] CC(C)[*:1] O=C(C[C@H]([NH2+]C[*:1])C(=O)[O-])Nc1cccc(Cl)c1
CC(C)NC(=O)CCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C CC(C)NC(=O)C[*:1] C[C@H]1C[C@@H](CN1C(=O)CC[*:1])c1ccc(F)cc1
CC(C)NC(=O)CCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C CC(C)NC(=O)CC[*:1] C[C@H]1C[C@@H](CN1C(=O)C[*:1])c1ccc(F)cc1
CC(C)NC(=O)CCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C CC(C)[*:1] C[C@H]1C[C@@H](CN1C(=O)CCCC(=O)N[*:1])c1ccc(F)cc1
CC(C)NC(=O)CCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C CC(C)NC(=O)[*:1] C[C@H]1C[C@@H](CN1C(=O)CCC[*:1])c1ccc(F)cc1
CC(C)NC(=O)CCCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C Fc1ccc(cc1)[*:1] CC(C)NC(=O)CCCC(=O)N1C[C@@H](C[C@@H]1C)[*:1]
C[C@@H](OC(=O)/C=C/c1ccncc1)C(=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] C[C@@H](OC(=O)/C=C/c1ccncc1)C(=O)N[*:1]
C[C@@H](OC(=O)/C=C/c1ccncc1)C(=O)Nc1ccc(F)cc1Cl c1cc(ccn1)[*:1] C[C@@H](OC(=O)C=C[*:1])C(=O)Nc1ccc(F)cc1Cl
C[C@@H](OC(=O)/C=C/c1ccncc1)C(=O)Nc1ccc(F)cc1Cl C(=C[*:1])c1ccncc1 C[C@@H](OC(=O)[*:1])C(=O)Nc1ccc(F)cc1Cl
COc1ccc(N2C[C@@H](C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C1CC2(CCN(CC2)C(=O)[C@H]2CC(=O)N(C2)[*:1])Oc2ccccc21
Nc1nnc(CCNC(=O)Cc2ccc(Cl)cc2)s1 Nc1nnc(s1)[*:1] O=C(Cc1ccc(Cl)cc1)NCC[*:1]
CCC[NH2+][C@@H](Cc1ccc(I)cc1)[C@]1(C)CCCO1 CCC[*:1] C[C@]1(CCCO1)[C@H](Cc1ccc(I)cc1)[NH2+][*:1]
CC(C)C1(C[NH2+][C@H]2C[C@@H](C)N(C)C2)CC1 CC(C)[*:1] C[C@@H]1C[C@@H](CN1C)[NH2+]CC1(CC1)[*:1]
CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(OCC#N)cc1 CCCC[*:1] N#CCOc1ccc(cc1)[C@@H]1NC2(CCCCC2)C(=O)N1[*:1]
CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(OCC#N)cc1 CCC[*:1] N#CCOc1ccc(cc1)[C@@H]1NC2(CCCCC2)C(=O)N1C[*:1]
CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(OCC#N)cc1 N#CC[*:1] CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(cc1)O[*:1]
CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(OCC#N)cc1 N#CCO[*:1] CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)Oc1c(F)cc(C[NH2+]C)cc1F CC[C@@H](C)[*:1] C[NH2+]Cc1cc(F)c(O[C@H](C)C(=O)N[*:1])c(F)c1
CC[C@@H](C)NC(=O)[C@@H](C)Oc1c(F)cc(C[NH2+]C)cc1F CC[C@@H](C)NC(=O)[*:1] C[NH2+]Cc1cc(F)c(O[C@H](C)[*:1])c(F)c1
COc1ccc(CCN2CCc3nc4nc(N)ccc4cc3C2)cc1 COc1ccc(cc1)[*:1] Nc1ccc2cc3CN(CCc3nc2n1)CC[*:1]
COCCn1nc([C@@H]2CCCN(C(=O)Nc3cccc4ccccc34)C2)n(C2CC2)c1=O COC[*:1] O=C(Nc1cccc2ccccc12)N1CCC[C@H](C1)c1nn(C[*:1])c(=O)n1C1CC1
COCCn1nc([C@@H]2CCCN(C(=O)Nc3cccc4ccccc34)C2)n(C2CC2)c1=O C1CC1[*:1] COCCn1nc([C@@H]2CCCN(C2)C(=O)Nc2cccc3ccccc23)n(c1=O)[*:1]
COCCn1nc([C@@H]2CCCN(C(=O)Nc3cccc4ccccc34)C2)n(C2CC2)c1=O COCC[*:1] O=C(Nc1cccc2ccccc12)N1CCC[C@H](C1)c1nn(c(=O)n1C1CC1)[*:1]
COCCn1nc([C@@H]2CCCN(C(=O)Nc3cccc4ccccc34)C2)n(C2CC2)c1=O c1ccc2c(cccc2c1)[*:1] COCCn1nc([C@@H]2CCCN(C2)C(=O)N[*:1])n(c1=O)C1CC1
CCO/C([O-])=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 CCO[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)C(=C([O-])[*:1])[C@@H]2c1ccc(O)c(c1)OC
CCO/C([O-])=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 COC(=O)[*:1] CCO/C([O-])=C1\C(C)=NC2C[C@H](C)[C@H](C(=O)C=2[C@H]1c1ccc(O)c(c1)OC)[*:1]
CCO/C([O-])=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 COc1cc(ccc1O)[*:1] CCO/C([O-])=C1\C(C)=NC2C[C@H](C)[C@H](C(=O)OC)C(=O)C=2[C@@H]1[*:1]
Cc1cc(C)c2cc(CNCc3cccs3)c3nn(C)c(=O)n3c2c1 c1csc(c1)CNC[*:1] Cc1cc(C)c2cc(c3nn(C)c(=O)n3c2c1)[*:1]
Cc1cc(C)c2cc(CNCc3cccs3)c3nn(C)c(=O)n3c2c1 c1csc(c1)[*:1] Cc1cc(C)c2cc(CNC[*:1])c3nn(C)c(=O)n3c2c1
Cc1cc(C)c2cc(CNCc3cccs3)c3nn(C)c(=O)n3c2c1 c1csc(c1)CN[*:1] Cc1cc(C)c2cc(C[*:1])c3nn(C)c(=O)n3c2c1
Cc1cc(C)c2cc(CNCc3cccs3)c3nn(C)c(=O)n3c2c1 c1csc(c1)C[*:1] Cc1cc(C)c2cc(CN[*:1])c3nn(C)c(=O)n3c2c1
Cc1cnn(C[C@H]2CCCN2c2nn3cc(C)nc3s2)c1 Cc1cnn(c1)C[*:1] Cc1cn2nc(sc2n1)N1CCC[C@@H]1[*:1]
Cc1cnn(C[C@H]2CCCN2c2nn3cc(C)nc3s2)c1 Cc1cnn(c1)[*:1] Cc1cn2nc(sc2n1)N1CCC[C@@H]1C[*:1]
CCCCn1c(=O)c2ccccc2n2c(S[C@H](C)CC)nnc12 CC[C@@H](C)S[*:1] CCCCn1c(=O)c2ccccc2n2c(nnc12)[*:1]
CCCCn1c(=O)c2ccccc2n2c(S[C@H](C)CC)nnc12 CCCC[*:1] CC[C@@H](C)Sc1nnc2n(c(=O)c3ccccc3n12)[*:1]
CCCCn1c(=O)c2ccccc2n2c(S[C@H](C)CC)nnc12 CCC[*:1] CC[C@@H](C)Sc1nnc2n(C[*:1])c(=O)c3ccccc3n12
O=C([O-])c1conc1-c1ccc(Cl)cc1 O=C([O-])[*:1] Clc1ccc(cc1)-c1nocc1[*:1]
C=CCNC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1OCC C=CC[*:1] CCO[C@H]1C[C@@H]1C(=O)Nc1ccccc1C(=O)N[*:1]
C=CCNC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1OCC C=CCNC(=O)[*:1] CCO[C@H]1C[C@@H]1C(=O)Nc1ccccc1[*:1]
C=CCNC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1OCC CCO[*:1] C=CCNC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1[*:1]
CC1(CNC(=O)C(C)(C)NS(C)(=O)=O)Cc2ccccc2C1 CS(=O)(=O)N[*:1] CC1(CNC(=O)C(C)(C)[*:1])Cc2ccccc2C1
CC(C)(C)SCC(=O)N(C[C@@H]1CCCO1)c1ccncc1 CC(C)(C)SC[*:1] O=C(N(C[C@@H]1CCCO1)c1ccncc1)[*:1]
CC(C)(C)SCC(=O)N(C[C@@H]1CCCO1)c1ccncc1 CC(C)(C)[*:1] O=C(CS[*:1])N(C[C@@H]1CCCO1)c1ccncc1
CC(C)(C)SCC(=O)N(C[C@@H]1CCCO1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(C)SCC(=O)N(C[C@@H]1CCCO1)[*:1]
CC(C)(C)SCC(=O)N(C[C@@H]1CCCO1)c1ccncc1 CC(C)(C)S[*:1] O=C(C[*:1])N(C[C@@H]1CCCO1)c1ccncc1
CC(C)(C)SCC(=O)N(C[C@@H]1CCCO1)c1ccncc1 C1CO[C@@H](C1)C[*:1] CC(C)(C)SCC(=O)N(c1ccncc1)[*:1]
CC(C)(C)SCC(=O)N(C[C@@H]1CCCO1)c1ccncc1 C1CO[C@@H](C1)[*:1] CC(C)(C)SCC(=O)N(C[*:1])c1ccncc1
C[C@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@H](OC(=O)c1cccc(c1)O[*:1])[C@H]1CCCO1
C[C@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](OC(=O)c1cccc(c1)OC[*:1])[C@H]1CCCO1
C[C@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] C[C@H](OC(=O)c1cccc(c1)[*:1])[C@H]1CCCO1
CC[C@@H](CO)N1CCN(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)CC1 Cc1nc(n[nH]1)[*:1] CC[C@@H](CO)N1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)nc(S[C@@H](C)C(=O)Nc2nnc(C(F)(F)F)s2)n1 FC(F)(F)[*:1] Cc1cc(C)nc(n1)S[C@@H](C)C(=O)Nc1nnc(s1)[*:1]
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CCc1c(C)nn(C)c1C Cc1nn(C)c(C)c1C[*:1] C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)C[*:1]
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CCc1c(C)nn(C)c1C C=CC[*:1] Cc1nn(C)c(C)c1CCC(=O)N1[C@@H](C=CC[C@H]1[*:1])c1ccccc1
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CCc1c(C)nn(C)c1C c1ccc(cc1)[*:1] C=CC[C@@H]1CC=C[C@@H](N1C(=O)CCc1c(C)nn(C)c1C)[*:1]
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CCc1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CC[*:1]
Cc1csc(CN(C)c2ccc3ccc(F)cc3n2)n1 Cc1csc(n1)[*:1] CN(C[*:1])c1ccc2ccc(F)cc2n1
CCOc1ccc(N2C(=O)[C@H](CCSC)NC2=S)cc1C CCO[*:1] CSCC[C@@H]1NC(=S)N(C1=O)c1ccc(c(C)c1)[*:1]
CCOc1ccc(N2C(=O)[C@H](CCSC)NC2=S)cc1C CSCC[*:1] CCOc1ccc(cc1C)N1C(=O)[C@H](NC1=S)[*:1]
CCOc1ccc(N2C(=O)[C@H](CCSC)NC2=S)cc1C CSC[*:1] CCOc1ccc(cc1C)N1C(=O)[C@H](C[*:1])NC1=S
CCOC(=O)[C@H]1Cc2c(OC)ccc(OC)c2CN1 CCOC(=O)[*:1] COc1ccc(OC)c2C[C@@H](NCc12)[*:1]
C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccc(OCc2cccnc2)cc1 C1CC1[*:1] C[C@H](NC(=O)N(C)[C@@H](C)[*:1])c1ccc(cc1)OCc1cccnc1
C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccc(cc1)O[*:1]
C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccc(cc1)OC[*:1]
C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)CO[*:1] C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccc(cc1)[*:1]
Cc1cc(Cl)ccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 c1ccc(cc1)C[*:1] Cc1cc(Cl)ccc1NC(=O)CSc1nnc(o1)[*:1]
Cc1cc(Cl)ccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 Cc1cc(Cl)ccc1[*:1] O=C(CSc1nnc(Cc2ccccc2)o1)N[*:1]
Cc1cc(Cl)ccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1NC(=O)CSc1nnc(C[*:1])o1
Cc1cc(S(C)(=O)=O)ccc1NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 C1CC1[*:1] Cc1cc(ccc1NC(=O)[C@H]1CCCN(C1)C(=O)[*:1])S(C)(=O)=O
Cc1cc(S(C)(=O)=O)ccc1NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 CS(=O)(=O)[*:1] Cc1cc(ccc1NC(=O)[C@H]1CCCN(C1)C(=O)C1CC1)[*:1]
O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccn1)C[C@H]1CCCO1 c1ccc(nc1)[*:1] O=C(c1cc(on1)-c1ccccc1)N(C[C@H]1CCCO1)C[*:1]
O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccn1)C[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(c1cc(on1)[*:1])N(Cc1ccccn1)C[C@H]1CCCO1
O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccn1)C[C@H]1CCCO1 c1ccc(C[*:1])nc1 O=C(c1cc(on1)-c1ccccc1)N(C[C@H]1CCCO1)[*:1]
CCNC(=O)COC(=O)c1nn(-c2ccccc2)c2c1CCC2 c1ccc(cc1)[*:1] CCNC(=O)COC(=O)c1nn(c2CCCc12)[*:1]
CCNC(=O)COC(=O)c1nn(-c2ccccc2)c2c1CCC2 CCNC(=O)[*:1] O=C(OC[*:1])c1nn(-c2ccccc2)c2CCCc12
CCNC(=O)COC(=O)c1nn(-c2ccccc2)c2c1CCC2 CCNC(=O)C[*:1] O=C(O[*:1])c1nn(-c2ccccc2)c2CCCc12
COc1ccc([C@@H](Cl)C2(C)CCCC2)cc1OC CC1(CCCC1)[*:1] COc1ccc(cc1OC)[C@@H](Cl)[*:1]
O[C@H]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccn3)s2)C1 c1ccc(nc1)[*:1] O[C@H]1CCC[C@H](C[NH2+]Cc2cnc(s2)[*:1])C1
C[C@@H]1CN(c2ncnc3cccc(F)c23)C[C@H](c2ccc(F)cc2)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)[*:1])c1ncnc2cccc(F)c12
COCC[C@@H](C)C(=O)NCc1ccc(F)c(Cl)c1 COCC[C@@H](C)[*:1] O=C(NCc1ccc(F)c(Cl)c1)[*:1]
COCC[C@@H](C)C(=O)NCc1ccc(F)c(Cl)c1 COCC[*:1] C[C@@H](C(=O)NCc1ccc(F)c(Cl)c1)[*:1]
COCC[C@@H](C)C(=O)NCc1ccc(F)c(Cl)c1 COC[*:1] C[C@H](C[*:1])C(=O)NCc1ccc(F)c(Cl)c1
S=C=NCCC[NH+]1CCOCC1 S=C=NC[*:1] C1C[NH+](CCO1)CC[*:1]
S=C=NCCC[NH+]1CCOCC1 S=C=N[*:1] C(C[NH+]1CCOCC1)C[*:1]
O=C(Cc1cccc(F)c1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 Fc1cccc(c1)[*:1] O=C(C[*:1])NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12
O=C(Cc1cccc(F)c1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 Fc1cccc(c1)C[*:1] O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
O=C(Cc1cccc(F)c1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(Cc1cccc(F)c1)NC[C@@H](c1c[nH]c2ccccc12)[*:1]
O=C(Cc1cccc(F)c1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(Cc1cccc(F)c1)NC[C@@H](c1ccccc1)[*:1]
C[C@H](OC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)c1nccs1 CC(C)(C)C[*:1] C[C@H](OC(=O)c1ccc(cc1)C(=O)N[*:1])c1nccs1
C[C@H](OC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)c1nccs1 CC(C)(C)[*:1] C[C@H](OC(=O)c1ccc(cc1)C(=O)NC[*:1])c1nccs1
C[C@H](OC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)c1ccc(cc1)C(=O)NCC(C)(C)C)[*:1]
C[C@H](OC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)c1nccs1 CC(C)(C)CNC(=O)[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])c1nccs1
CC[C@H](C)CN(C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C O=S(=O)(NC1CC1)[*:1] CC[C@H](C)CN(C)C(=O)Nc1ccc(C)c(c1C)[*:1]
CC[C@H](C)CN(C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C CC[C@H](C)[*:1] Cc1ccc(NC(=O)N(C)C[*:1])c(C)c1S(=O)(=O)NC1CC1
CC[C@H](C)CN(C)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C C1CC1[*:1] CC[C@H](C)CN(C)C(=O)Nc1ccc(C)c(c1C)S(=O)(=O)N[*:1]
COc1ccccc1C(=O)N1[C@H](C(=O)N[C@H]2C[C@H]2C)C[C@@H]2CCCC[C@@H]21 COc1ccccc1[*:1] C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[*:1]
COc1ccccc1C(=O)N1[C@H](C(=O)N[C@H]2C[C@H]2C)C[C@@H]2CCCC[C@@H]21 C[C@@H]1C[C@@H]1[*:1] COc1ccccc1C(=O)N1[C@@H](C[C@@H]2CCCC[C@@H]21)C(=O)N[*:1]
COc1ccccc1C(=O)N1[C@H](C(=O)N[C@H]2C[C@H]2C)C[C@@H]2CCCC[C@@H]21 C[C@@H]1C[C@@H]1NC(=O)[*:1] COc1ccccc1C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1[*:1]
Cn1nc(C(C)(C)C)cc1C(=O)NC1=NCCS1 CC(C)(C)[*:1] Cn1nc(cc1C(=O)NC1=NCCS1)[*:1]
C#CCCNC(=O)c1cncc(Br)c1 C#CC[*:1] O=C(NC[*:1])c1cncc(Br)c1
C#CCCNC(=O)c1cncc(Br)c1 C#CCC[*:1] O=C(N[*:1])c1cncc(Br)c1
CCNC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 Fc1ccc(c(F)c1)[*:1] CCNC(=O)N1CCC[C@H]1c1nc2cc(ccc2o1)[*:1]
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cccc4ccccc34)CC2)c1 c1ccc2c(cccc2c1)[*:1] COc1cc(cc(c1)C(=O)N1CCC(CC1)C(=O)NN=C[*:1])OC
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cccc4ccccc34)CC2)c1 COc1cc(cc(c1)[*:1])OC O=C(N/N=C/c1cccc2ccccc12)C1CCN(CC1)C(=O)[*:1]
O=C1CCC2(CC[NH2+]CC2)CN1CCNc1cccnc1 c1cncc(c1)N[*:1] O=C1CCC2(CC[NH2+]CC2)CN1CC[*:1]
O=C1CCC2(CC[NH2+]CC2)CN1CCNc1cccnc1 c1cncc(c1)[*:1] O=C1CCC2(CC[NH2+]CC2)CN1CCN[*:1]
Cc1noc([C@@H](C)SCc2csc(COc3ccc(F)cc3)n2)n1 Fc1ccc(cc1)O[*:1] Cc1noc(n1)[C@@H](C)SCc1csc(C[*:1])n1
Cc1noc([C@@H](C)SCc2csc(COc3ccc(F)cc3)n2)n1 Fc1ccc(cc1)[*:1] Cc1noc(n1)[C@@H](C)SCc1csc(CO[*:1])n1
Cc1noc([C@@H](C)SCc2csc(COc3ccc(F)cc3)n2)n1 Cc1noc(n1)[*:1] C[C@@H](SCc1csc(COc2ccc(F)cc2)n1)[*:1]
Clc1ccc([C@@H]2Nc3ccccc3-c3nc(C4CC4)nn32)cc1 Clc1ccc(cc1)[*:1] c1ccc2c(c1)N[C@H](n1nc(nc1-2)C1CC1)[*:1]
Clc1ccc([C@@H]2Nc3ccccc3-c3nc(C4CC4)nn32)cc1 C1CC1[*:1] Clc1ccc(cc1)[C@@H]1Nc2ccccc2-c2nc(nn21)[*:1]
CC(C)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 CC(C)C(=O)N[*:1] CN(Cc1cccc(c1)[*:1])C(=O)C(F)(F)F
CC(C)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)C(=O)Nc1cccc(c1)CN(C)C(=O)[*:1]
CC(C)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 CC(C)[*:1] CN(Cc1cccc(c1)NC(=O)[*:1])C(=O)C(F)(F)F
O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(Nc1nc2cc3OCOc3cc2s1)c1ccc(s1)[*:1]
CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC#N CCO[*:1] N#CCOc1cc(Br)c(/C=C/C(=O)[O-])cc1[*:1]
CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC#N N#CCO[*:1] CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1[*:1]
CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC#N N#CC[*:1] CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1O[*:1]
CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC#N O=C([O-])[*:1] CCOc1cc(C=C[*:1])c(Br)cc1OCC#N
CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC#N O=C([O-])C=C[*:1] CCOc1cc(c(Br)cc1OCC#N)[*:1]
Cc1cccc2c(=O)n(CC(=O)N(CCO)Cc3ccccc3)cnc12 OCC[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N(Cc1ccccc1)[*:1]
Cc1cccc2c(=O)n(CC(=O)N(CCO)Cc3ccccc3)cnc12 c1ccc(cc1)[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N(CCO)C[*:1]
Cc1cccc2c(=O)n(CC(=O)N(CCO)Cc3ccccc3)cnc12 c1ccc(cc1)C[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N(CCO)[*:1]
O=C(N[C@H](CCO)c1cccs1)c1ccc(F)cc1O OCC[*:1] O=C(N[C@H](c1cccs1)[*:1])c1ccc(F)cc1O
O=C(N[C@H](CCO)c1cccs1)c1ccc(F)cc1O c1csc(c1)[*:1] O=C(N[C@H](CCO)[*:1])c1ccc(F)cc1O
COc1ccc(C[C@H](C)CN(C)C(=O)NCc2ccc(O)cc2)cc1 Oc1ccc(cc1)C[*:1] COc1ccc(cc1)C[C@H](C)CN(C)C(=O)N[*:1]
COc1ccc(C[C@H](C)CN(C)C(=O)NCc2ccc(O)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H](CN(C)C(=O)NCc1ccc(O)cc1)C[*:1]
COc1ccc(C[C@H](C)CN(C)C(=O)NCc2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] COc1ccc(cc1)C[C@H](C)CN(C)C(=O)NC[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1 CCc1ccccc1[*:1] CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1 CCc1ccccc1[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)N(C)CC(=O)N[*:1]
Cc1cc(NC(=O)NNc2cccc(F)c2F)no1 Cc1cc(no1)[*:1] O=C(NNc1cccc(F)c1F)N[*:1]
O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1Cc1ccco1 c1coc(c1)[*:1] O=C1CS[C@H](c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)N1C[*:1]
O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1Cc1ccco1 c1coc(c1)C[*:1] O=C1CS[C@H](c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)N1[*:1]
O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1Cc1ccco1 Brc1ccc(cc1)[*:1] O=C1CS[C@H](c2cn(nc2[*:1])-c2ccccc2)N1Cc1ccco1
O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1Cc1ccco1 c1ccc(cc1)[*:1] O=C1CS[C@H](c2cn(nc2-c2ccc(Br)cc2)[*:1])N1Cc1ccco1
CC(C)CCNC(=O)c1ccc(C[S@@](=O)c2ccccc2Cl)o1 CC(C)CC[*:1] O=C(N[*:1])c1ccc(C[S@@](=O)c2ccccc2Cl)o1
CC(C)CCNC(=O)c1ccc(C[S@@](=O)c2ccccc2Cl)o1 CC(C)[*:1] O=C(NCC[*:1])c1ccc(C[S@@](=O)c2ccccc2Cl)o1
CC(C)CCNC(=O)c1ccc(C[S@@](=O)c2ccccc2Cl)o1 CC(C)C[*:1] O=C(NC[*:1])c1ccc(C[S@@](=O)c2ccccc2Cl)o1
CC(C)CCNC(=O)c1ccc(C[S@@](=O)c2ccccc2Cl)o1 Clc1ccccc1[*:1] CC(C)CCNC(=O)c1ccc(C[S@@](=O)[*:1])o1
C[C@H]1CCC[C@H](N(C)C(=O)NCc2cccs2)C1 c1csc(c1)[*:1] C[C@H]1CCC[C@@H](C1)N(C)C(=O)NC[*:1]
C[C@H]1CCC[C@H](N(C)C(=O)NCc2cccs2)C1 c1csc(c1)C[*:1] C[C@H]1CCC[C@@H](C1)N(C)C(=O)N[*:1]
CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)n1ccnc1C#N Cn1cc(cn1)[*:1] CC[C@@H]([NH3+])[C@@H](n1ccnc1C#N)[*:1]
O=C([O-])CCCCC(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C([O-])CCCCC(=O)c1ccc(cc1)[*:1]
O=C([O-])CCCCC(=O)c1ccc(-c2ccccc2)cc1 O=C([O-])C[*:1] O=C(CCC[*:1])c1ccc(cc1)-c1ccccc1
O=C([O-])CCCCC(=O)c1ccc(-c2ccccc2)cc1 O=C([O-])CCC[*:1] O=C(C[*:1])c1ccc(cc1)-c1ccccc1
O=C([O-])CCCCC(=O)c1ccc(-c2ccccc2)cc1 O=C([O-])CC[*:1] O=C(CC[*:1])c1ccc(cc1)-c1ccccc1
O=C([O-])CCCCC(=O)c1ccc(-c2ccccc2)cc1 O=C([O-])[*:1] O=C(CCCC[*:1])c1ccc(cc1)-c1ccccc1
CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCCO2)c1 CCNC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])NC[C@H]1CCCO1
CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] CCNC(=O)c1cccc(c1)CNC(=O)N[*:1]
CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CCNC(=O)c1cccc(c1)CNC(=O)NC[*:1]
CCc1nn(C)cc1NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] CCc1nn(C)cc1NC(=O)N1CCN(CC1)C(=O)[*:1]
CCc1nn(C)cc1NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 CCc1nn(C)cc1[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
O=C(CCc1cccc(Cl)c1)NC1CC[NH+](CC2(O)CCCCC2)CC1 Clc1cccc(c1)C[*:1] O=C(C[*:1])NC1CC[NH+](CC1)CC1(O)CCCCC1
O=C(CCc1cccc(Cl)c1)NC1CC[NH+](CC2(O)CCCCC2)CC1 OC1(CCCCC1)C[*:1] O=C(CCc1cccc(Cl)c1)NC1CC[NH+](CC1)[*:1]
O=C(CCc1cccc(Cl)c1)NC1CC[NH+](CC2(O)CCCCC2)CC1 Clc1cccc(c1)[*:1] O=C(CC[*:1])NC1CC[NH+](CC1)CC1(O)CCCCC1
O=C(CCc1cccc(Cl)c1)NC1CC[NH+](CC2(O)CCCCC2)CC1 OC1(CCCCC1)[*:1] O=C(CCc1cccc(Cl)c1)NC1CC[NH+](CC1)C[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3C)C2)cc1C Cc1ccccc1C[*:1] Cc1cc(C)c(cc1C)S(=O)(=O)N1CCC[C@@](C)(C1)C(=O)N[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3C)C2)cc1C Cc1cc(C)c(cc1C)[*:1] Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C1)S(=O)(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3C)C2)cc1C Cc1ccccc1[*:1] Cc1cc(C)c(cc1C)S(=O)(=O)N1CCC[C@@](C)(C1)C(=O)NC[*:1]
COCC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 COC[*:1] O=C(N1c2ncnn2[C@@H](C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1)[*:1]
COCC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] COCC(=O)N1c2ncnn2[C@H](C[C@H]1c1ccc(Cl)cc1)[*:1]
COCC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCC(=O)N1c2ncnn2[C@@H](C[C@@H]1[*:1])c1ccc(F)cc1
CN(Cc1cscn1)C(=O)[C@H]1Cc2[nH+]c[nH]c2CN1 c1nc(cs1)[*:1] CN(C[*:1])C(=O)[C@H]1Cc2[nH+]c[nH]c2CN1
CN(Cc1cscn1)C(=O)[C@H]1Cc2[nH+]c[nH]c2CN1 c1nc(cs1)C[*:1] CN(C(=O)[C@H]1Cc2[nH+]c[nH]c2CN1)[*:1]
O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc2c([nH]c1=O)CCC2 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCN(C1)[*:1])c1cc2CCCc2[nH]c1=O
COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1ccc(C)cc1)CC2 Cc1ccc(cc1)C[*:1] COc1cc2CCN([C@H](c2cc1OC)[C@@H](C)NC(=O)c1ccccc1)[*:1]
COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1ccc(C)cc1)CC2 Cc1ccc(cc1)[*:1] COc1cc2CCN(C[*:1])[C@H](c2cc1OC)[C@@H](C)NC(=O)c1ccccc1
COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1ccc(C)cc1)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(Cc3ccc(C)cc3)[C@H](c2cc1OC)[C@@H](C)NC(=O)[*:1]
COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1ccc(C)cc1)CC2 C[C@@H](NC(=O)c1ccccc1)[*:1] COc1cc2CCN(Cc3ccc(C)cc3)[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1ccc(C)cc1)CC2 O=C(N[*:1])c1ccccc1 COc1cc2CCN(Cc3ccc(C)cc3)[C@H](c2cc1OC)[C@@H](C)[*:1]
CC[NH+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] CC[NH+](CC(=O)NC(=O)Nc1ccc2OCCOc2c1)CC(=O)N[*:1]
CC[NH+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1c(Cl)cccc1Cl c1cc2OCCOc2cc1[*:1] CC[NH+](CC(=O)NC(=O)N[*:1])CC(=O)Nc1c(Cl)cccc1Cl
Cc1oc(-c2ccccc2)nc1CN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 c1ccc(cc1)[*:1] Cc1oc(nc1CN1CCN(CC1)C(=O)[C@H]1C[C@H]1C)[*:1]
C[C@H]1C[NH+]=C(N2CCN(C(=O)C/C=C/c3ccc(F)cc3)CC2)S1 Fc1ccc(cc1)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)CC=C[*:1]
O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2ccccc2[*:1])C1
O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 c1cnn(c1)C[*:1] O=C1C[C@@H](CN1Cc1ccccc1C(F)(F)F)NC(=O)[*:1]
O=C(Cn1cccn1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 c1cnn(c1)[*:1] O=C(C[*:1])N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1CCOC1CCCCC1 C1CCC(CC1)[*:1] C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1CCO[*:1]
C[C@@H](CNC(=O)c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] C[C@@H](CNC(=O)[*:1])[NH+]1CCCC1
C#CCN1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)CC1 CC(C)(C)[*:1] C#CCN1CCN(CC1)CC(=O)Nc1cc(no1)[*:1]
C#CCN1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)CC1 C#CC[*:1] CC(C)(C)c1cc(NC(=O)CN2CCN(CC2)[*:1])on1
N#Cc1ccc(F)c(CNC(=O)/C=C/c2ccc(C(N)=O)cc2)c1 NC(=O)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)/C=C/c1ccc(cc1)[*:1]
CC(C)NC(=O)CN(C)C(=O)c1cc2c(C(C)C)nn(C)c2s1 CC(C)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N(C)CC(=O)N[*:1]
CC(C)NC(=O)CN(C)C(=O)c1cc2c(C(C)C)nn(C)c2s1 CC(C)[*:1] CC(C)NC(=O)CN(C)C(=O)c1cc2c(nn(C)c2s1)[*:1]
CC(C)NC(=O)CN(C)C(=O)c1cc2c(C(C)C)nn(C)c2s1 CC(C)NC(=O)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N(C)C[*:1]
CC(C)NC(=O)CN(C)C(=O)c1cc2c(C(C)C)nn(C)c2s1 CC(C)NC(=O)C[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N(C)[*:1]
CC(C)(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1 CC(C)(C)[*:1] c1cc(ccn1)-c1noc(n1)-c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1 c1cc(ccn1)[*:1] CC(C)(C)c1ccc(cc1)-c1nc(no1)[*:1]
CCC[C@@H]1CN(C(=O)CSc2ccccc2)CCO1 c1ccc(cc1)[*:1] CCC[C@@H]1CN(CCO1)C(=O)CS[*:1]
CCC[C@@H]1CN(C(=O)CSc2ccccc2)CCO1 CCC[*:1] O=C(CSc1ccccc1)N1CCO[C@@H](C1)[*:1]
COc1ccc(CNC(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)C(=O)NC[*:1]
COc1ccc(CNC(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1 CC(=O)[*:1] COc1ccc(cc1)CNC(=O)C(=O)Nc1cccc(c1)[*:1]
N#C/C(=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] N#C/C(=C/c1ccc(o1)-c1cc(ccc1Cl)C(=O)[O-])C(=O)NCC[*:1]
N#C/C(=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 O=C([O-])c1ccc(Cl)c(c1)[*:1] N#C/C(=C/c1ccc(o1)[*:1])C(=O)NCCc1c[nH]c2ccccc12
N#C/C(=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)CC[*:1] N#C/C(=C/c1ccc(o1)-c1cc(ccc1Cl)C(=O)[O-])C(=O)N[*:1]
N#C/C(=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 O=C([O-])[*:1] N#C/C(=C/c1ccc(o1)-c1cc(ccc1Cl)[*:1])C(=O)NCCc1c[nH]c2ccccc12
N#C/C(=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)C[*:1] N#C/C(=C/c1ccc(o1)-c1cc(ccc1Cl)C(=O)[O-])C(=O)NC[*:1]
Cc1cc2cc(NC(=O)c3cnn(-c4ccccc4)n3)ccc2[nH]1 c1ccc(cc1)[*:1] Cc1cc2cc(ccc2[nH]1)NC(=O)c1cnn(n1)[*:1]
COC(=O)c1sc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1c(sc(c1C)[*:1])S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
COC(=O)c1sc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1sc(c(c1C)[*:1])S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
COC(=O)c1sc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c(C(=O)OC)c1C C1CC1[*:1] COC(=O)c1sc(c(C(=O)OC)c1C)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CCCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1cccc(OC)c1)C2 CCCC[*:1] COc1cccc(c1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccccc1O[*:1]
CCCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1cccc(OC)c1)C2 CCCCO[*:1] COc1cccc(c1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccccc1[*:1]
CCCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1cccc(OC)c1)C2 COc1cccc(c1)[*:1] CCCCOc1ccccc1[C@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)[*:1]
CCCCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1cccc(OC)c1)C2 CCC[*:1] COc1cccc(c1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccccc1OC[*:1]
Cc1cc(C)cc(OCCN(C)C(=O)CCn2nnc3ccccc32)c1 Cc1cc(C)cc(c1)[*:1] CN(CCO[*:1])C(=O)CCn1nnc2ccccc21
CC[C@H](CSC)N(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C C1CN(CCO1)[*:1] CC[C@H](CSC)N(C)C(=O)Nc1ccc([nH+]c1C)[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C CSC[*:1] CC[C@H](N(C)C(=O)Nc1ccc([nH+]c1C)N1CCOCC1)[*:1]
CCn1c(S[C@H](C)C(=O)NC2CC2)nc2ccccc21 C1CC1[*:1] CCn1c(nc2ccccc21)S[C@H](C)C(=O)N[*:1]
CCn1c(S[C@H](C)C(=O)NC2CC2)nc2ccccc21 O=C(NC1CC1)[*:1] CCn1c(nc2ccccc21)S[C@H](C)[*:1]
C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C c1csc(c1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]([NH+](C)C)[*:1]
Cn1ncc2c1CCC[C@H]2NC(=O)CN1CCCC1=O O=C1CCCN1[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)C[*:1]
CCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F)C(=O)CC(C)(C)C CC(C)(C)[*:1] CCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F)C(=O)C[*:1]
CCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F)C(=O)CC(C)(C)C Fc1ccccc1[*:1] CCN(CC(=O)N1CCn2cccc2[C@H]1[*:1])C(=O)CC(C)(C)C
CCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F)C(=O)CC(C)(C)C CC(C)(C)C[*:1] CCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F)C(=O)[*:1]
CC(C)(C)[C@H](COc1ccccc1F)NC(=O)[C@H]1CSC(=O)N1 CC(C)(C)[*:1] O=C1N[C@H](CS1)C(=O)N[C@@H](COc1ccccc1F)[*:1]
CC(C)(C)[C@H](COc1ccccc1F)NC(=O)[C@H]1CSC(=O)N1 Fc1ccccc1[*:1] CC(C)(C)[C@H](CO[*:1])NC(=O)[C@H]1CSC(=O)N1
CCN1C[C@H](CN(C)C(=O)c2cccnc2)Oc2ccccc21 c1cncc(c1)[*:1] CCN1C[C@H](CN(C)C(=O)[*:1])Oc2ccccc21
CNC(=O)[C@H](C)CN(C)C(=O)C[C@@H]1CCC[C@@H](C)C1 CNC(=O)[*:1] C[C@@H]1CCC[C@@H](CC(=O)N(C)C[C@@H](C)[*:1])C1
CNC(=O)[C@H](C)CN(C)C(=O)C[C@@H]1CCC[C@@H](C)C1 CNC(=O)[C@H](C)[*:1] C[C@@H]1CCC[C@@H](CC(=O)N(C)C[*:1])C1
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)N1CCN(CC1)S(=O)(=O)N1CCCCCC1)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)N(C)Cc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)N(C)C[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)N(C)Cc2c(C)noc2C)c1 Cc1noc(C)c1C[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)N(C)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)N(C)Cc2c(C)noc2C)c1 CC(=O)N[*:1] Cc1noc(C)c1CN(C)C(=O)Nc1cc(ccc1F)[*:1]
Cc1nc(C)n(-c2ccc(C(=O)N[C@H]3CCCc4ccc(F)cc43)cc2)n1 Cc1nc(C)n(n1)[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)c1ccc(cc1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C Fc1cccc(c1)[*:1] C[C@@H](C1CC1)N(C)C(=O)NC[C@H]([NH+](C)C)[*:1]
C[C@@H](C1CC1)N(C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C C[C@@H](C1CC1)[*:1] CN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[*:1]
C[C@@H](C1CC1)N(C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C C1CC1[*:1] C[C@@H](N(C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[*:1]
CC(C)CCN(C)C(=O)/C=C/c1ccccc1 CC(C)C[*:1] CN(C[*:1])C(=O)/C=C/c1ccccc1
CC(C)CCN(C)C(=O)/C=C/c1ccccc1 CC(C)[*:1] CN(CC[*:1])C(=O)/C=C/c1ccccc1
CC(C)CCN(C)C(=O)/C=C/c1ccccc1 CC(C)CC[*:1] CN(C(=O)/C=C/c1ccccc1)[*:1]
O=C(NCc1ccc(Cl)cc1)C(=O)NCC1CC[NH+](C2CCCC2)CC1 Clc1ccc(cc1)[*:1] O=C(NCC1CC[NH+](CC1)C1CCCC1)C(=O)NC[*:1]
O=C(NCc1ccc(Cl)cc1)C(=O)NCC1CC[NH+](C2CCCC2)CC1 Clc1ccc(cc1)C[*:1] O=C(NCC1CC[NH+](CC1)C1CCCC1)C(=O)N[*:1]
CNC(=O)Nc1ccc2c(c1)C(=O)Nc1ccc(C)cc1O2 CNC(=O)N[*:1] Cc1ccc2NC(=O)c3cc(ccc3Oc2c1)[*:1]
Cc1nc(-c2cccc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2)cs1 Cc1nc(cs1)[*:1] CC(C)(C)OC(=O)N1CC=C(CC1)c1cccc(c1)[*:1]
Cc1nc(-c2cccc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2)cs1 CC(C)(C)[*:1] Cc1nc(cs1)-c1cccc(c1)C1=CCN(CC1)C(=O)O[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H]2CCCc3ccccc32)cc1 CCOc1ccc(cc1)[*:1] O=C(N[C@H]1CCCc2ccccc21)c1ccccc1NS(=O)(=O)[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H]2CCCc3ccccc32)cc1 CCO[*:1] O=C(N[C@H]1CCCc2ccccc21)c1ccccc1NS(=O)(=O)c1ccc(cc1)[*:1]
CO[C@H](C)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 CO[C@H](C)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)NC(=O)c1ccncc1
CO[C@H](C)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 CO[C@H](C)C(=O)N[*:1] C[C@@H](c1ccc(cc1)NC(=O)c1ccncc1)[*:1]
CO[C@H](C)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] CO[C@H](C)C(=O)N[C@@H](C)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(CCCC(=O)N2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1C COc1ccc(cc1C)[*:1] O=C(CCC[*:1])N1CCc2nc(ncc2C1)[C@H]1CCC[NH2+]1
Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1COc2ccccc21 FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)[C@@H]1COc2ccccc21)[*:1]
CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(C)cc(N)c1C C[C@H](C#N)[*:1] CCN(C[*:1])S(=O)(=O)c1cc(C)cc(N)c1C
CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(C)cc(N)c1C C[C@H](C#N)C[*:1] CCN(S(=O)(=O)c1cc(C)cc(N)c1C)[*:1]
COc1ncccc1NC(=O)NCc1nc(C)cs1 Cc1csc(n1)[*:1] COc1ncccc1NC(=O)NC[*:1]
C[C@H](C[NH+]1CCCCC1)NC(=O)NCC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)NCC(=O)N[*:1]
CN(CCOCC1CC1)C(=O)C1(c2ccccc2)CCC1 C(C[*:1])OCC1CC1 CN(C(=O)C1(CCC1)c1ccccc1)[*:1]
CN(CCOCC1CC1)C(=O)C1(c2ccccc2)CCC1 C1CC1C[*:1] CN(CCO[*:1])C(=O)C1(CCC1)c1ccccc1
CN(CCOCC1CC1)C(=O)C1(c2ccccc2)CCC1 C1CC1CO[*:1] CN(CC[*:1])C(=O)C1(CCC1)c1ccccc1
CN(CCOCC1CC1)C(=O)C1(c2ccccc2)CCC1 C1CC1COC[*:1] CN(C[*:1])C(=O)C1(CCC1)c1ccccc1
CN(CCOCC1CC1)C(=O)C1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] CN(CCOCC1CC1)C(=O)C1(CCC1)[*:1]
CN(CCOCC1CC1)C(=O)C1(c2ccccc2)CCC1 C1CC1[*:1] CN(CCOC[*:1])C(=O)C1(CCC1)c1ccccc1
CCN(CC(=O)[O-])C(=O)[C@@H]1CC[NH2+][C@@H]1C O=C([O-])C[*:1] CCN(C(=O)[C@@H]1CC[NH2+][C@@H]1C)[*:1]
CCN(CC(=O)[O-])C(=O)[C@@H]1CC[NH2+][C@@H]1C O=C([O-])[*:1] CCN(C[*:1])C(=O)[C@@H]1CC[NH2+][C@@H]1C
CC[C@@H](CO)NC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] CC[C@@H](CO)NC(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC[C@@H](CO)NC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 Fc1ccc(cc1)[*:1] CC[C@@H](CO)NC(=O)N[C@H](C1CCCC1)[*:1]
CC[C@@H](CO)NC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 CC[C@@H](CO)[*:1] O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)N[*:1]
O=C(Nc1ccc2c(c1)CN(C(=O)CCN1CCCO1)CC2)[C@H]1CCCO1 O=C(N[*:1])[C@H]1CCCO1 O=C(CCN1CCCO1)N1CCc2ccc(cc2C1)[*:1]
O=C(Nc1ccc2c(c1)CN(C(=O)CCN1CCCO1)CC2)[C@H]1CCCO1 C1CON(C1)C[*:1] O=C(Nc1ccc2CCN(Cc2c1)C(=O)C[*:1])[C@H]1CCCO1
O=C(Nc1ccc2c(c1)CN(C(=O)CCN1CCCO1)CC2)[C@H]1CCCO1 C1CON(C1)[*:1] O=C(Nc1ccc2CCN(Cc2c1)C(=O)CC[*:1])[C@H]1CCCO1
O=C(Nc1ccc2c(c1)CN(C(=O)CCN1CCCO1)CC2)[C@H]1CCCO1 C1CON(C1)CC[*:1] O=C(Nc1ccc2CCN(Cc2c1)C(=O)[*:1])[C@H]1CCCO1
CCCCNC(=O)C1CCN(C(=O)Nc2c(C)cc(C)cc2C)CC1 CCCCNC(=O)[*:1] Cc1cc(C)c(NC(=O)N2CCC(CC2)[*:1])c(C)c1
CCCCNC(=O)C1CCN(C(=O)Nc2c(C)cc(C)cc2C)CC1 CCCC[*:1] Cc1cc(C)c(NC(=O)N2CCC(CC2)C(=O)N[*:1])c(C)c1
CCCCNC(=O)C1CCN(C(=O)Nc2c(C)cc(C)cc2C)CC1 CCC[*:1] Cc1cc(C)c(NC(=O)N2CCC(CC2)C(=O)NC[*:1])c(C)c1
CCCCN(CCOC)C(=O)C=C1CCSCC1 CCCC[*:1] COCCN(C(=O)C=C1CCSCC1)[*:1]
CCCCN(CCOC)C(=O)C=C1CCSCC1 COCC[*:1] CCCCN(C(=O)C=C1CCSCC1)[*:1]
CCCCN(CCOC)C(=O)C=C1CCSCC1 CCC[*:1] COCCN(C[*:1])C(=O)C=C1CCSCC1
CCCCN(CCOC)C(=O)C=C1CCSCC1 COC[*:1] CCCCN(C[*:1])C(=O)C=C1CCSCC1
N#Cc1ccccc1CN1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1 N#Cc1ccccc1[*:1] O=c1cc(CN2CCN(CC2)C[*:1])[nH]c2ccc(F)cc12
N#Cc1ccccc1CN1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1 N#Cc1ccccc1C[*:1] O=c1cc(CN2CCN(CC2)[*:1])[nH]c2ccc(F)cc12
C[C@H]1CO[C@@H](CO)CN1Cc1cnc[nH]1 c1ncc([nH]1)[*:1] C[C@H]1CO[C@@H](CO)CN1C[*:1]
CC(C)NC(=O)COC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CC(C)NC(=O)COC(=O)c1ccnc(c1)[*:1]
CC(C)NC(=O)COC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)NC(=O)C[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)O[*:1]
CC(C)NC(=O)COC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)NC(=O)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)OC[*:1]
CC(C)NC(=O)COC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)OCC(=O)N[*:1]
CC(C)NC(=O)COC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CC(C)NC(=O)COC(=O)c1ccnc(c1)O[*:1]
COc1ccccc1/C=N/OCC(=O)Nc1c(C)cc(C)cc1Cl COc1ccccc1[*:1] Cc1cc(C)c(NC(=O)CON=C[*:1])c(Cl)c1
CC(C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1)=C1CCCC1 c1coc(c1)[*:1] CC(C(=O)N1CCOC[C@@H]1CC(=O)[*:1])=C1CCCC1
CC(C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1)=C1CCCC1 O=C(c1ccco1)[*:1] CC(C(=O)N1CCOC[C@@H]1C[*:1])=C1CCCC1
CC(C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1)=C1CCCC1 CC(=C1CCCC1)[*:1] O=C(C[C@H]1COCCN1C(=O)[*:1])c1ccco1
C[NH+]1CCC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 O=[N+]([O-])[*:1] C[NH+]1CCC[NH+](CC1)Cc1ccc(o1)[*:1]
C[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 O=[N+]([O-])[*:1] C[C@@H](CS(=O)(=O)c1ccc(cc1)[*:1])[NH+]1CCCCCC1
CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccncc1 CCC[*:1] O=C(c1ccncc1)N(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[*:1]
CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccncc1 c1cc(ccn1)[*:1] CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[*:1]
Cn1c(CCC(N)=O)nnc1SCc1csc(-c2ccco2)n1 NC(=O)[*:1] Cn1c(CC[*:1])nnc1SCc1csc(n1)-c1ccco1
Cn1c(CCC(N)=O)nnc1SCc1csc(-c2ccco2)n1 NC(=O)C[*:1] Cn1c(C[*:1])nnc1SCc1csc(n1)-c1ccco1
Cn1c(CCC(N)=O)nnc1SCc1csc(-c2ccco2)n1 c1coc(c1)[*:1] Cn1c(CCC(N)=O)nnc1SCc1csc(n1)[*:1]
Cn1c(CCC(N)=O)nnc1SCc1csc(-c2ccco2)n1 NC(=O)CC[*:1] Cn1c(nnc1[*:1])SCc1csc(n1)-c1ccco1
O=C(CCc1cccnc1)Nc1cccc(C(=O)NCC(F)(F)F)c1 FC(F)(F)[*:1] O=C(CCc1cccnc1)Nc1cccc(c1)C(=O)NC[*:1]
O=C(CCc1cccnc1)Nc1cccc(C(=O)NCC(F)(F)F)c1 FC(F)(F)C[*:1] O=C(CCc1cccnc1)Nc1cccc(c1)C(=O)N[*:1]
O=C(CCc1cccnc1)Nc1cccc(C(=O)NCC(F)(F)F)c1 c1cncc(c1)[*:1] O=C(CC[*:1])Nc1cccc(c1)C(=O)NCC(F)(F)F
O=C(CCc1cccnc1)Nc1cccc(C(=O)NCC(F)(F)F)c1 O=C(NCC(F)(F)F)[*:1] O=C(CCc1cccnc1)Nc1cccc(c1)[*:1]
O=C(CCc1cccnc1)Nc1cccc(C(=O)NCC(F)(F)F)c1 c1cncc(c1)CC[*:1] O=C(NCC(F)(F)F)c1cccc(c1)NC(=O)[*:1]
O=C(CCc1cccnc1)Nc1cccc(C(=O)NCC(F)(F)F)c1 c1cncc(c1)C[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)NCC(F)(F)F
N#CCOc1cc(Cl)cc(Cl)c1 N#CC[*:1] Clc1cc(Cl)cc(c1)O[*:1]
N#CCOc1cc(Cl)cc(Cl)c1 N#CCO[*:1] Clc1cc(Cl)cc(c1)[*:1]
CC(=O)NCCNC(=O)c1ccncc1 CC(=O)N[*:1] O=C(NCC[*:1])c1ccncc1
CC(=O)NCCNC(=O)c1ccncc1 CC(=O)NC[*:1] O=C(NC[*:1])c1ccncc1
COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)cc1O NC(=O)[*:1] COc1ccc(cc1O)[C@@H]1C2C(=O)CCCC=2Nc2c(cnn21)[*:1]
Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)cn1 Cc1ccc(cn1)[*:1] O=C(NC1CCOCC1)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)cn1 C1CC(CCO1)[*:1] Cc1ccc(cn1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
COC[C@@H](C)N1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 COC[*:1] C[C@@H](N1CC[NH+](CC1)C[C@@H]1C[C@@H]1c1ccccc1)[*:1]
COC[C@@H](C)N1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] COC[C@@H](C)N1CC[NH+](CC1)C[C@@H]1C[C@H]1[*:1]
COC[C@@H](C)N1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 COC[C@@H](C)[*:1] c1ccc(cc1)[C@H]1C[C@H]1C[NH+]1CCN(CC1)[*:1]
Cc1cccc(-c2nnc(SCc3ccnn3C)n2N)c1 Cn1nccc1[*:1] Cc1cccc(c1)-c1nnc(SC[*:1])n1N
Cc1cccc(-c2nnc(SCc3ccnn3C)n2N)c1 Cn1nccc1C[*:1] Cc1cccc(c1)-c1nnc(S[*:1])n1N
Cc1cccc(-c2nnc(SCc3ccnn3C)n2N)c1 Cc1cccc(c1)[*:1] Cn1nccc1CSc1nnc(n1N)[*:1]
COCCCN1[C@H](NC(=O)c2ccccc2F)[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H](C)[C@H]1C COCCC[*:1] C[C@H]1[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](NC(=O)c2ccccc2F)N([C@@H]1C)[*:1]
COCCCN1[C@H](NC(=O)c2ccccc2F)[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H](C)[C@H]1C Fc1ccccc1[*:1] COCCCN1[C@H](NC(=O)[*:1])[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H](C)[C@H]1C
COCCCN1[C@H](NC(=O)c2ccccc2F)[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H](C)[C@H]1C COCC[*:1] C[C@H]1[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](NC(=O)c2ccccc2F)N(C[*:1])[C@@H]1C
COCCCN1[C@H](NC(=O)c2ccccc2F)[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H](C)[C@H]1C O=C(N[*:1])c1ccccc1F COCCCN1[C@H]([C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H](C)[C@H]1C)[*:1]
COCCCN1[C@H](NC(=O)c2ccccc2F)[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H](C)[C@H]1C COC[*:1] C[C@H]1[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](NC(=O)c2ccccc2F)N(CC[*:1])[C@@H]1C
Cc1cc(C(=O)OCc2cnn(C)c2)cc([N+](=O)[O-])c1 Cn1cc(cn1)[*:1] Cc1cc(cc(c1)[N+](=O)[O-])C(=O)OC[*:1]
Cc1cc(C(=O)OCc2cnn(C)c2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(cc(c1)[*:1])C(=O)OCc1cnn(C)c1
C[C@H](SCc1coc(-c2ccc(Br)cc2)n1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](SCc1coc(n1)-c1ccc(Br)cc1)[*:1]
C[C@H](SCc1coc(-c2ccc(Br)cc2)n1)C(=O)NC(C)(C)C Brc1ccc(cc1)[*:1] C[C@H](SCc1coc(n1)[*:1])C(=O)NC(C)(C)C
C[C@H](SCc1coc(-c2ccc(Br)cc2)n1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](SCc1coc(n1)-c1ccc(Br)cc1)C(=O)N[*:1]
N#C[C@H]1CN(C(=O)[C@H]([NH3+])CC(=O)[O-])CCO1 O=C([O-])C[*:1] N#C[C@H]1CN(CCO1)C(=O)[C@H]([NH3+])[*:1]
N#C[C@H]1CN(C(=O)[C@H]([NH3+])CC(=O)[O-])CCO1 O=C([O-])[*:1] N#C[C@H]1CN(CCO1)C(=O)[C@H]([NH3+])C[*:1]
CCN1C(=[NH2+])[C@@H](c2ccc(CC(C)C)cc2)[NH+]=C1C1CC1 CC(C)C[*:1] CCN1C(=[NH2+])[C@H]([NH+]=C1C1CC1)c1ccc(cc1)[*:1]
CCN1C(=[NH2+])[C@@H](c2ccc(CC(C)C)cc2)[NH+]=C1C1CC1 C1CC1[*:1] CCN1C(=[NH2+])[C@H]([NH+]=C1[*:1])c1ccc(cc1)CC(C)C
CCN1C(=[NH2+])[C@@H](c2ccc(CC(C)C)cc2)[NH+]=C1C1CC1 CC(C)[*:1] CCN1C(=[NH2+])[C@H]([NH+]=C1C1CC1)c1ccc(cc1)C[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccnc2-n2cccn2)o1 c1cnn(c1)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)C(=O)Nc1cccnc1[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccnc2-n2cccn2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccnc1-n1cccn1)[*:1]
Cn1nccc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 Cn1nccc1[*:1] O=C(N1CCC[C@H](C1)c1nc(cc(=O)[nH]1)-c1cccs1)[*:1]
Cn1nccc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 c1csc(c1)[*:1] Cn1nccc1C(=O)N1CCC[C@H](C1)c1nc(cc(=O)[nH]1)[*:1]
CCS(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(Cl)cccc3s2)cc1 CCS(=O)(=O)[*:1] Cc1cc(NC(=O)c2ccc(cc2)[*:1])n(n1)-c1nc2c(Cl)cccc2s1
CCS(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(Cl)cccc3s2)cc1 Clc1cccc2sc(nc12)[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)Nc1cc(C)nn1[*:1]
CCC[C@H]1CN(C(=O)c2cc(C)ccc2N2CCCC2)CCO1 C1CCN(C1)[*:1] CCC[C@H]1CN(CCO1)C(=O)c1cc(C)ccc1[*:1]
CCC[C@H]1CN(C(=O)c2cc(C)ccc2N2CCCC2)CCO1 CCC[*:1] Cc1ccc(c(c1)C(=O)N1CCO[C@H](C1)[*:1])N1CCCC1
Cc1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CSc1ccc2nnc(n2n1)[*:1]
Cc1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc2ccc(nn12)SCC(=O)N[*:1]
C=CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1CCOC C=CCO[*:1] COCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1[*:1]
C=CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1CCOC COCC[*:1] C=CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1[*:1]
C=CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1CCOC COC[*:1] C=CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1C[*:1]
C=CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1CCOC C=CC[*:1] COCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1O[*:1]
CCOCc1ccccc1C[NH2+]Cc1cccc2c1OCCO2 CCOC[*:1] c1ccc(c(c1)C[NH2+]Cc1cccc2OCCOc12)[*:1]
CCOCc1ccccc1C[NH2+]Cc1cccc2c1OCCO2 CCO[*:1] c1ccc(C[*:1])c(c1)C[NH2+]Cc1cccc2OCCOc12
COC(=O)[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 O=C([O-])[*:1] COC(=O)[C@H]1CCN(C1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
COC(=O)[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 COC(=O)[*:1] O=C([O-])[C@H]1CCCN(C1)S(=O)(=O)N1CC[C@@H](C1)[*:1]
Nc1ccc2c(c1)CC[C@@H]2Nc1cc(F)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Nc1ccc2c(c1)CC[C@@H]2Nc1cc(F)cc(c1)[*:1]
CC(C)(c1ccccc1)c1nnc(NC(=O)c2cc3c([nH]c2=O)CCCC3)s1 c1ccc(cc1)[*:1] CC(C)(c1nnc(NC(=O)c2cc3CCCCc3[nH]c2=O)s1)[*:1]
CC(C)(c1ccccc1)c1nnc(NC(=O)c2cc3c([nH]c2=O)CCCC3)s1 CC(C)(c1ccccc1)[*:1] O=C(Nc1nnc(s1)[*:1])c1cc2CCCCc2[nH]c1=O
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1C Fc1cccc(c1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(CC2)S(=O)(=O)[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)N2CCN(CC2)S(=O)(=O)c2cccc(F)c2)c(C)c1[*:1]
Cc1cnc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cn1 CC(C)(C)[*:1] Cc1cnc(cn1)C(=O)N[C@@H](C#N)c1ccc(cc1)[*:1]
Cc1cnc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)cn1 Cc1cnc(cn1)[*:1] CC(C)(C)c1ccc(cc1)[C@H](C#N)NC(=O)[*:1]
CCC[C@H]1CC[C@H](O)[C@H](Cc2cccc(O)c2)C1 CCC[*:1] Oc1cccc(c1)C[C@@H]1C[C@H](CC[C@@H]1O)[*:1]
O=C(CCN1C(=O)S/C(=C/c2ccccc2)C1=O)N[C@@H]1C=CS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CCN1C(=O)SC(=C[*:1])C1=O)N[C@@H]1C=CS(=O)(=O)C1
O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(CSc1nc2ccccc2o1)N1N=C(C[C@@H]1c1cccs1)[*:1]
O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(CSc1nc2ccccc2o1)N1N=C(C[C@H]1[*:1])c1cccs1
O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 c1ccc2oc(nc2c1)[*:1] O=C(CS[*:1])N1N=C(C[C@@H]1c1cccs1)c1cccs1
COC(=O)c1cccc(NC(=O)C(=O)NCCc2ccccc2F)c1C Fc1ccccc1C[*:1] COC(=O)c1cccc(NC(=O)C(=O)NC[*:1])c1C
COC(=O)c1cccc(NC(=O)C(=O)NCCc2ccccc2F)c1C Fc1ccccc1[*:1] COC(=O)c1cccc(NC(=O)C(=O)NCC[*:1])c1C
COC(=O)c1cccc(NC(=O)C(=O)NCCc2ccccc2F)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)NCCc1ccccc1F
CCCOc1cc(C)ccc1NC(=O)NC CCCO[*:1] CNC(=O)Nc1ccc(C)cc1[*:1]
CCCOc1cc(C)ccc1NC(=O)NC CCC[*:1] CNC(=O)Nc1ccc(C)cc1O[*:1]
CCCOc1cc(C)ccc1NC(=O)NC CNC(=O)N[*:1] CCCOc1cc(C)ccc1[*:1]
CC(C)COc1ncccc1C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 CC(C)CO[*:1] C[C@@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)c1cccnc1[*:1]
CC(C)COc1ncccc1C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CC(C)COc1ncccc1C(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
CC(C)COc1ncccc1C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 CC(C)[*:1] C[C@@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)c1cccnc1OC[*:1]
CC(C)COc1ncccc1C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 CC(C)C[*:1] C[C@@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)c1cccnc1O[*:1]
O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCCC1CCCC1 C1CCC(C1)C[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)NCCC[*:1]
O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCCC1CCCC1 C1CCC(C1)CC[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)NCC[*:1]
O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCCC1CCCC1 C1CCC(C1)CCC[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)NC[*:1]
O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCCC1CCCC1 C1CCC(C1)[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCC[*:1]
CCn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cn1 CCn1cc(cn1)[*:1] Cc1cccc(c1)CN(CC[NH+](C)C)C(=O)[*:1]
CCn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cn1 Cc1cccc(c1)[*:1] CCn1cc(cn1)C(=O)N(CC[NH+](C)C)C[*:1]
CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccccc1)NC(=O)N[C@@H]2c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](NC(=O)N[C@@H]2c1ccccc1)[*:1]
C[C@@H]1CC(C(=O)N(C)CCOc2ccccc2F)C[C@@H](C)O1 Fc1ccccc1[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N(C)CCO[*:1]
CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(F)cc1Cl c1coc(c1)[*:1] CSc1nc(nc(C)c1C(=O)Nc1ccc(F)cc1Cl)[*:1]
CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] CSc1nc(nc(C)c1C(=O)N[*:1])-c1ccco1
Cc1sc2nc(CS[C@H](C)C(=O)Oc3ccc(F)cc3)[nH]c(=O)c2c1C Fc1ccc(cc1)[*:1] Cc1sc2nc(CS[C@H](C)C(=O)O[*:1])[nH]c(=O)c2c1C
O=C(NC[C@@H]1CCCO1)C1=NCC(C(=O)c2cccc(C(F)(F)F)c2)=C1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])C1C=C(CN=1)C(=O)c1cccc(c1)C(F)(F)F
O=C(NC[C@@H]1CCCO1)C1=NCC(C(=O)c2cccc(C(F)(F)F)c2)=C1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])C1C=C(CN=1)C(=O)c1cccc(c1)C(F)(F)F
O=C(NC[C@@H]1CCCO1)C1=NCC(C(=O)c2cccc(C(F)(F)F)c2)=C1 FC(F)(F)[*:1] O=C(NC[C@@H]1CCCO1)C1C=C(CN=1)C(=O)c1cccc(c1)[*:1]
FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cccc3cccnc23)C1 FC(F)(F)[*:1] c1cnc2c(cccc2c1)C[NH2+][C@H]1CCC[C@H](C1)[*:1]
COc1c(Cl)cc(Cl)cc1CN1CCC[C@@H](c2nc(C)no2)C1 Cc1noc(n1)[*:1] COc1c(Cl)cc(Cl)cc1CN1CCC[C@@H](C1)[*:1]
O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(COC(=O)[C@H]1COc2ccccc2O1)N[*:1]
CC(=O)C[C@@H]1CCCCN1C(=O)Nc1ccc(C)cc1 CC(=O)C[*:1] Cc1ccc(cc1)NC(=O)N1CCCC[C@H]1[*:1]
CC(=O)C[C@@H]1CCCCN1C(=O)Nc1ccc(C)cc1 CC(=O)[*:1] Cc1ccc(cc1)NC(=O)N1CCCC[C@H]1C[*:1]
CCOc1ccc(F)c(C(=O)N(C)CCSC)c1F CCO[*:1] CSCCN(C)C(=O)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)N(C)CCSC)c1F CSCC[*:1] CCOc1ccc(F)c(C(=O)N(C)[*:1])c1F
CCOc1ccc(F)c(C(=O)N(C)CCSC)c1F CSC[*:1] CCOc1ccc(F)c(C(=O)N(C)C[*:1])c1F
O=C(NC(=S)NNC(=O)c1ccccc1Cl)c1ccco1 c1coc(c1)[*:1] O=C(NNC(=S)NC(=O)[*:1])c1ccccc1Cl
O=C(NC(=S)NNC(=O)c1ccccc1Cl)c1ccco1 Clc1ccccc1[*:1] O=C(NC(=S)NNC(=O)[*:1])c1ccco1
CCOC(=O)c1sc(NC(=O)CCC(=O)[O-])c(C#N)c1C O=C([O-])C[*:1] CCOC(=O)c1sc(NC(=O)C[*:1])c(C#N)c1C
CCOC(=O)c1sc(NC(=O)CCC(=O)[O-])c(C#N)c1C O=C([O-])[*:1] CCOC(=O)c1sc(NC(=O)CC[*:1])c(C#N)c1C
CCOC(=O)c1sc(NC(=O)CCC(=O)[O-])c(C#N)c1C O=C([O-])CC[*:1] CCOC(=O)c1sc(NC(=O)[*:1])c(C#N)c1C
CCOC(=O)c1sc(NC(=O)CCC(=O)[O-])c(C#N)c1C CCOC(=O)[*:1] Cc1c(sc(NC(=O)CCC(=O)[O-])c1C#N)[*:1]
COCC[S@](=O)CC(=O)Nc1ccc(Cl)cc1 COC[*:1] O=C(C[S@@](=O)C[*:1])Nc1ccc(Cl)cc1
COCC[S@](=O)CC(=O)Nc1ccc(Cl)cc1 COCC[*:1] O=C(C[S@@](=O)[*:1])Nc1ccc(Cl)cc1
Cc1ccccc1C(=O)N1CCc2sccc2[C@H]1c1ccccc1C Cc1ccccc1[*:1] Cc1ccccc1C(=O)N1CCc2sccc2[C@@H]1[*:1]
Cc1ccccc1C(=O)N1CCc2sccc2[C@H]1c1ccccc1C Cc1ccccc1[*:1] Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)[*:1]
CC(C)NC(=O)Nc1ccc(NC(=O)[C@@H]2COc3ccc(F)cc3C2)cc1 CC(C)NC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1COc2ccc(F)cc2C1
CC(C)NC(=O)Nc1ccc(NC(=O)[C@@H]2COc3ccc(F)cc3C2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)NC(=O)[C@@H]1COc2ccc(F)cc2C1)N[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H](CO)C1 FC(F)(F)[*:1] O=[N+]([O-])c1cc(ccc1N1CCC[C@@H](CO)C1)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H](CO)C1 O=[N+]([O-])[*:1] OC[C@@H]1CCCN(C1)c1ccc(cc1[*:1])C(F)(F)F
Cc1cccc(Nc2nnc(SCc3nnc([O-])[nH]3)s2)c1 Cc1cccc(c1)[*:1] [O-]c1nnc(CSc2nnc(N[*:1])s2)[nH]1
Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(o1)[C@H]1Nc2ccccc2C(=O)N1[*:1]
Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)N1C(=O)c2ccccc2N[C@H]1[*:1]
COCC(=O)N(C[C@@H]1C=c2cc(OC)ccc2=[NH+]C1=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCC(=O)N(C[C@@H]1C=c2cc(ccc2=[NH+]C1=O)OC)[*:1]
COCC(=O)N(C[C@@H]1C=c2cc(OC)ccc2=[NH+]C1=O)c1ccc(C)cc1 COC[*:1] COc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C(=O)[*:1])c1ccc(C)cc1
Cc1cc(NC(=O)CSCC(=O)N2C[C@@H](C)CC[C@H]2C)no1 Cc1cc(no1)[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)CSCC(=O)N[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)[*:1]
CC(C)(C)[NH+](CCS(C)(=O)=O)Cc1cc(F)c(F)cc1F CC(C)(C)[*:1] CS(=O)(=O)CC[NH+](Cc1cc(F)c(F)cc1F)[*:1]
CC(C)(C)[NH+](CCS(C)(=O)=O)Cc1cc(F)c(F)cc1F CS(=O)(=O)CC[*:1] CC(C)(C)[NH+](Cc1cc(F)c(F)cc1F)[*:1]
CC(C)(C)[NH+](CCS(C)(=O)=O)Cc1cc(F)c(F)cc1F CS(=O)(=O)C[*:1] CC(C)(C)[NH+](Cc1cc(F)c(F)cc1F)C[*:1]
CC(C)(C)[NH+](CCS(C)(=O)=O)Cc1cc(F)c(F)cc1F CS(=O)(=O)[*:1] CC(C)(C)[NH+](CC[*:1])Cc1cc(F)c(F)cc1F
COc1cccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)n1 COc1cccc(n1)[*:1] O=C(c1cccs1)N1CCCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)n1 c1csc(c1)[*:1] COc1cccc(n1)C(=O)N1CCCN(CC1)C(=O)[*:1]
CCOC(=O)CN(C)C(=O)c1csc(-c2cc(Br)cs2)n1 CCOC(=O)C[*:1] CN(C(=O)c1csc(n1)-c1cc(Br)cs1)[*:1]
CCOC(=O)CN(C)C(=O)c1csc(-c2cc(Br)cs2)n1 Brc1csc(c1)[*:1] CCOC(=O)CN(C)C(=O)c1csc(n1)[*:1]
CCOC(=O)CN(C)C(=O)c1csc(-c2cc(Br)cs2)n1 CCOC(=O)[*:1] CN(C[*:1])C(=O)c1csc(n1)-c1cc(Br)cs1
O=C(Nc1ccc(-n2ccnc2)cc1)[C@H]1Cc2ccccc2O1 c1cn(cn1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1Cc2ccccc2O1
O=C(NCC[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)c1ccco1 O=C(N[*:1])c1ccco1 O=[N+]([O-])c1ccc2nc(sc2c1)N1CC[NH+](CC1)CC[*:1]
O=C(NCC[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)c1ccco1 O=C(NC[*:1])c1ccco1 O=[N+]([O-])c1ccc2nc(sc2c1)N1CC[NH+](CC1)C[*:1]
O=C(NCC[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)c1ccco1 O=[N+]([O-])[*:1] O=C(NCC[NH+]1CCN(CC1)c1nc2ccc(cc2s1)[*:1])c1ccco1
O=C(NCC[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)c1ccco1 c1coc(c1)[*:1] O=C(NCC[NH+]1CCN(CC1)c1nc2ccc(cc2s1)[N+](=O)[O-])[*:1]
CN(Cc1nc(-c2ccccc2)cs1)[C@@H]1CCN(CC(F)(F)F)C1=O c1ccc(cc1)[*:1] CN(Cc1nc(cs1)[*:1])[C@@H]1CCN(CC(F)(F)F)C1=O
CN(Cc1nc(-c2ccccc2)cs1)[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] CN(Cc1nc(cs1)-c1ccccc1)[C@@H]1CCN(C1=O)[*:1]
CN(Cc1nc(-c2ccccc2)cs1)[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] CN(Cc1nc(cs1)-c1ccccc1)[C@@H]1CCN(C[*:1])C1=O
C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccn(CCS(C)(=O)=O)n1 CS(=O)(=O)[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccn(CC[*:1])n1
C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccn(CCS(C)(=O)=O)n1 CS(=O)(=O)C[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccn(C[*:1])n1
C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccn(CCS(C)(=O)=O)n1 CS(=O)(=O)CC[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccn(n1)[*:1]
Cc1cc(=O)c(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C)c[nH]1 CC(C)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)[*:1]
COCCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@@H]1[*:1] COCCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)N[*:1]
COCCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C COCCC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1[*:1]
COCCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C COC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1CC[*:1]
COCCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C COCC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1C[*:1]
Cc1ccccc1[C@@H](C)NC(=O)N(C)CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccccc1[C@@H](C)NC(=O)N(C)CC[*:1]
Cc1ccccc1[C@@H](C)NC(=O)N(C)CCc1ccc(F)cc1 Cc1ccccc1[*:1] C[C@@H](NC(=O)N(C)CCc1ccc(F)cc1)[*:1]
CC[NH+]1CCC(N(C)C(=O)c2ccc(S(=O)(=O)NC)o2)CC1 CNS(=O)(=O)[*:1] CC[NH+]1CCC(CC1)N(C)C(=O)c1ccc(o1)[*:1]
CO/C([O-])=C1/C(C)=NC(=S)N[C@H]1c1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] CO/C([O-])=C1/C(C)=NC(=S)N[C@H]1c1cnc(s1)[*:1]
COc1ccccc1CN(C)C(=O)[C@H]1C=C(Cn2nc(C)cc2C)N=N1 Cc1cc(C)n(n1)[*:1] COc1ccccc1CN(C)C(=O)[C@H]1C=C(C[*:1])N=N1
COc1ccccc1CN(C)C(=O)[C@H]1C=C(Cn2nc(C)cc2C)N=N1 Cc1cc(C)n(C[*:1])n1 COc1ccccc1CN(C)C(=O)[C@H]1C=C(N=N1)[*:1]
COc1ccccc1CN(C)C(=O)[C@H]1C=C(Cn2nc(C)cc2C)N=N1 COc1ccccc1[*:1] Cc1cc(C)n(CC2=C[C@@H](N=N2)C(=O)N(C)C[*:1])n1
Cc1nc2ccccc2c(=O)n1/N=C\c1cccs1 c1csc(c1)[*:1] Cc1nc2ccccc2c(=O)n1N=C[*:1]
CCS(=O)(=O)N[C@H](c1cccs1)C(C)(C)C CC(C)(C)[*:1] CCS(=O)(=O)N[C@H](c1cccs1)[*:1]
CCS(=O)(=O)N[C@H](c1cccs1)C(C)(C)C c1csc(c1)[*:1] CCS(=O)(=O)N[C@H](C(C)(C)C)[*:1]
C=CCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] C=CCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc(ccc21)[*:1]
C=CCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc(S(N)(=O)=O)ccc21 C=CC[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc3ncsc3c1)n2[*:1]
C=CCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc(S(N)(=O)=O)ccc21 c1nc2ccc(cc2s1)[*:1] C=CCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(N)(=O)=O
C[C@H](CCO)CNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 Brc1ccc(cc1)[*:1] C[C@H](CCO)CNC(=O)N[C@H](C1CCC1)[*:1]
C[C@H](CCO)CNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 C1CC(C1)[*:1] C[C@H](CCO)CNC(=O)N[C@H](c1ccc(Br)cc1)[*:1]
C[C@H](CCO)CNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 C[C@H](CCO)C[*:1] O=C(N[C@H](c1ccc(Br)cc1)C1CCC1)N[*:1]
C[C@H](CCO)CNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 C[C@H](CCO)[*:1] O=C(NC[*:1])N[C@H](c1ccc(Br)cc1)C1CCC1
C[C@H](CCO)CNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 OCC[*:1] C[C@H](CNC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)[*:1]
CN1CCN(C(=O)CCCN2CCCC2=O)C[C@]12CCNC(=O)CC2 O=C1CCCN1C[*:1] CN1CCN(C[C@]12CCNC(=O)CC2)C(=O)CC[*:1]
CN1CCN(C(=O)CCCN2CCCC2=O)C[C@]12CCNC(=O)CC2 O=C1CCCN1[*:1] CN1CCN(C[C@]12CCNC(=O)CC2)C(=O)CCC[*:1]
CN1CCN(C(=O)CCCN2CCCC2=O)C[C@]12CCNC(=O)CC2 O=C1CCCN1CC[*:1] CN1CCN(C[C@]12CCNC(=O)CC2)C(=O)C[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1 c1cc(ccn1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCC(O)(CC1)Cn1ccc2nc(ccc21)[*:1]
Cc1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)N[*:1]
O=C([O-])[C@H](Cc1cccc(F)c1)CC1CC1 C1CC1[*:1] O=C([O-])[C@H](Cc1cccc(F)c1)C[*:1]
O=C([O-])[C@H](Cc1cccc(F)c1)CC1CC1 C1CC1C[*:1] O=C([O-])[C@H](Cc1cccc(F)c1)[*:1]
O=C([O-])[C@H](Cc1cccc(F)c1)CC1CC1 O=C([O-])[*:1] Fc1cccc(c1)C[C@H](CC1CC1)[*:1]
CN(Cc1ccc(OC(F)F)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12 FC(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)Cc1nn(C)c(=O)c2ccccc12
CN(Cc1ccc(OC(F)F)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12 FC(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)Cc1nn(C)c(=O)c2ccccc12
O=C(CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)NCc1cccs1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(s1)C(=O)N[*:1])NCc1cccs1
O=C(CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)NCc1cccs1 c1csc(c1)[*:1] O=C(CSc1nnc(s1)C(=O)Nc1ccc(Cl)cc1)NC[*:1]
O=C(CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)NCc1cccs1 c1csc(c1)C[*:1] O=C(CSc1nnc(s1)C(=O)Nc1ccc(Cl)cc1)N[*:1]
CSc1oc(C2CC2)nc1C(=O)NC(C)(C)C C1CC1[*:1] CSc1oc(nc1C(=O)NC(C)(C)C)[*:1]
CSc1oc(C2CC2)nc1C(=O)NC(C)(C)C CC(C)(C)[*:1] CSc1oc(nc1C(=O)N[*:1])C1CC1
COC(=O)[C@@H](Nc1ncnc2sc(C)cc12)C(C)(C)C COC(=O)[*:1] Cc1cc2c(ncnc2s1)N[C@@H](C(C)(C)C)[*:1]
COC(=O)[C@@H](Nc1ncnc2sc(C)cc12)C(C)(C)C CC(C)(C)[*:1] COC(=O)[C@@H](Nc1ncnc2sc(C)cc12)[*:1]
Cc1ccc(C(=O)N2CCC[C@@H]2C(C)C)c(F)c1 CC(C)[*:1] Cc1ccc(C(=O)N2CCC[C@H]2[*:1])c(F)c1
O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NCC(F)(F)F FC(F)(F)[*:1] O=C(CSc1nnc2c(Cl)cc(cn12)C(F)(F)F)NC[*:1]
O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] FC(F)(F)c1cc(Cl)c2nnc(SC[*:1])n2c1
O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NCC(F)(F)F FC(F)(F)[*:1] O=C(CSc1nnc2c(Cl)cc(cn12)[*:1])NCC(F)(F)F
O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CSc1nnc2c(Cl)cc(cn12)C(F)(F)F)N[*:1]
CC(=O)c1ccccc1NC(=O)CNc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=O)c1ccccc1NC(=O)CN[*:1]
CC(=O)c1ccccc1NC(=O)CNc1ccc(Br)cc1 CC(=O)[*:1] O=C(CNc1ccc(Br)cc1)Nc1ccccc1[*:1]
CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(C)cc2)n2ncnc2N1 c1ccc(cc1)C[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)N[*:1])c1ccc(C)cc1
CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(C)cc2)n2ncnc2N1 Cc1ccc(cc1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)NCc1ccccc1)[*:1]
CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(C)cc2)n2ncnc2N1 c1ccc(cc1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)NC[*:1])c1ccc(C)cc1
CS(=O)(=O)/N=C(\[O-])c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CS(=O)(=O)/N=C(\[O-])c1ccc(=O)n(n1)[*:1]
CS(=O)(=O)/N=C(\[O-])c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CS(=O)(=O)/N=C(\[O-])c1ccc(=O)n(C[*:1])n1
Cc1ccc(Cl)cc1NC(=O)C[NH2+]C[C@@H](c1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)C[NH2+]C[C@@H]([NH+](C)C)[*:1]
Cc1ccc(Cl)cc1NC(=O)C[NH2+]C[C@@H](c1ccccc1)[NH+](C)C Cc1ccc(Cl)cc1[*:1] C[NH+](C)[C@@H](C[NH2+]CC(=O)N[*:1])c1ccccc1
COc1cc2c(cc1NC(=O)NCCNS(C)(=O)=O)oc1ccccc12 CS(=O)(=O)NCC[*:1] COc1cc2c(cc1NC(=O)N[*:1])oc1ccccc12
COc1cc2c(cc1NC(=O)NCCNS(C)(=O)=O)oc1ccccc12 CS(=O)(=O)N[*:1] COc1cc2c(cc1NC(=O)NCC[*:1])oc1ccccc12
COc1cc2c(cc1NC(=O)NCCNS(C)(=O)=O)oc1ccccc12 CS(=O)(=O)NC[*:1] COc1cc2c(cc1NC(=O)NC[*:1])oc1ccccc12
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@H]2C[C@H](C)OC2=O)CC1 COC(=O)[*:1] C[C@H]1C[C@H](OC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2[*:1])C(=O)O1
CCN(C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1)[C@H]1CCCC[C@H]1C Cc1cc(no1)[*:1] CCN(C(=O)CS[C@@H](C)C(=O)N[*:1])[C@H]1CCCC[C@H]1C
CCN(C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1)[C@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@@H]1[*:1] CCN(C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Br)C1 FC(F)(F)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1cc(ccc1Br)[*:1]
Cc1ccc([C@H](CNC(=O)C2CCN(c3ncccn3)CC2)[NH+](C)C)cc1 c1cnc(nc1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)C1CCN(CC1)[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)C2CCN(c3ncccn3)CC2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)C1CCN(CC1)c1ncccn1)[*:1]
CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H](C)NC(=O)c1ccco1 c1coc(c1)[*:1] CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H](C)NC(=O)[*:1]
CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H](C)NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H](C)[*:1]
CSCC[C@H](C)NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CSC[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccc2[nH]c(nc2c1)C(F)F
CSCC[C@H](C)NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] CSCC[C@H](C)NC(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CSCC[C@H](C)NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CSCC[C@H](C)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)N[*:1]
CSCC[C@H](C)NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CSCC[*:1] C[C@H](NC(=O)Nc1ccc2[nH]c(nc2c1)C(F)F)[*:1]
Cc1ccc(OCCCSc2nccn2C)cc1C Cn1ccnc1[*:1] Cc1ccc(cc1C)OCCCS[*:1]
CNC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 C1CN(CCO1)[*:1] CNC(=O)C(=O)Nc1cc(Br)ccc1[*:1]
CCn1cc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccn3)CO4)C2=O)c2cc(OC)ccc21 c1ccc(nc1)[*:1] CCn1cc(/C=C2\Oc3c(ccc4OCN(Cc43)C[*:1])C2=O)c2cc(ccc21)OC
CCn1cc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccn3)CO4)C2=O)c2cc(OC)ccc21 c1ccc(C[*:1])nc1 CCn1cc(/C=C2\Oc3c(ccc4OCN(Cc43)[*:1])C2=O)c2cc(ccc21)OC
C=CCN(CC(=O)[O-])C(=O)N1CC[C@@H](C(=O)OC)C1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)N1CC[C@H](C1)C(=O)OC
C=CCN(CC(=O)[O-])C(=O)N1CC[C@@H](C(=O)OC)C1 COC(=O)[*:1] C=CCN(CC(=O)[O-])C(=O)N1CC[C@@H](C1)[*:1]
C=CCN(CC(=O)[O-])C(=O)N1CC[C@@H](C(=O)OC)C1 O=C([O-])C[*:1] C=CCN(C(=O)N1CC[C@H](C1)C(=O)OC)[*:1]
C=CCN(CC(=O)[O-])C(=O)N1CC[C@@H](C(=O)OC)C1 C=CC[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)N(CC(=O)[O-])[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)c1 C=CCOc1cccc(c1)[*:1] Cc1cccc(n1)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)c1 Cc1cccc(n1)[*:1] C=CCOc1cccc(c1)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)c1 C=CCO[*:1] Cc1cccc(n1)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(c1)[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)c1 C=CC[*:1] Cc1cccc(n1)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(c1)O[*:1]
Cc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)c(C)o1 Cc1cc(c(C)o1)[*:1] CN(C(=O)[*:1])C(c1ccccc1)c1ccccc1
Cc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N(C)C(c2ccccc2)[*:1])c(C)o1
CSc1ncccc1C(=O)Nc1nc[nH]n1 c1nc(n[nH]1)[*:1] CSc1ncccc1C(=O)N[*:1]
COCCCNC(=O)C1CCN(C(=O)NCc2ccc(C)cc2)CC1 COC[*:1] Cc1ccc(cc1)CNC(=O)N1CCC(CC1)C(=O)NCC[*:1]
COCCCNC(=O)C1CCN(C(=O)NCc2ccc(C)cc2)CC1 COCCC[*:1] Cc1ccc(cc1)CNC(=O)N1CCC(CC1)C(=O)N[*:1]
COCCCNC(=O)C1CCN(C(=O)NCc2ccc(C)cc2)CC1 COCCCNC(=O)[*:1] Cc1ccc(cc1)CNC(=O)N1CCC(CC1)[*:1]
COCCCNC(=O)C1CCN(C(=O)NCc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] COCCCNC(=O)C1CCN(CC1)C(=O)NC[*:1]
COCCCNC(=O)C1CCN(C(=O)NCc2ccc(C)cc2)CC1 Cc1ccc(cc1)C[*:1] COCCCNC(=O)C1CCN(CC1)C(=O)N[*:1]
COCCCNC(=O)C1CCN(C(=O)NCc2ccc(C)cc2)CC1 COCC[*:1] Cc1ccc(cc1)CNC(=O)N1CCC(CC1)C(=O)NC[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](SCCCO)C1 OCCC[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)S[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](SCCCO)C1 OCCCS[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](SCCCO)C1 CS(=O)(=O)[*:1] OCCCS[C@H]1CCC[C@@H](C1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](SCCCO)C1 OCC[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)SC[*:1]
CCOC(=O)C1=C(CN2C[C@@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)C1=C(CN2C[C@@H](C)C[C@H](C)C2)NC(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(CN2C[C@@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 CCOC(=O)[*:1] C[C@H]1C[C@H](C)CN(CC2NC(=O)N[C@@H](C=2[*:1])c2ccc(Cl)cc2)C1
CC(C)c1ccc(O[C@H](C)C(=O)NCc2ccco2)cc1 CC(C)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)NCc1ccco1
CC(C)c1ccc(O[C@H](C)C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] CC(C)c1ccc(cc1)O[C@H](C)C(=O)N[*:1]
CC(C)c1ccc(O[C@H](C)C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] CC(C)c1ccc(cc1)O[C@H](C)C(=O)NC[*:1]
[NH3+]C[C@H]1CC[C@@H](C(=O)NCCC2CCCC2)O1 C1CCC(C1)[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)NCC[*:1]
C#CCN1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 C#CC[*:1] O=C(CN1CCN(CC1)[*:1])NCc1cccc(Cl)c1
C#CCN1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] C#CCN1CCN(CC1)CC(=O)NC[*:1]
COCc1cc(C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)no1 COC[*:1] C[C@H](NC(=O)c1cc(on1)[*:1])c1ccccc1Oc1ccccc1
COCc1cc(C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)no1 COCc1cc(no1)[*:1] C[C@H](NC(=O)[*:1])c1ccccc1Oc1ccccc1
COCc1cc(C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)no1 c1ccc(cc1)[*:1] COCc1cc(no1)C(=O)N[C@@H](C)c1ccccc1O[*:1]
COCc1cc(C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)no1 c1ccc(cc1)O[*:1] COCc1cc(no1)C(=O)N[C@@H](C)c1ccccc1[*:1]
Cc1nn(C)c(Sc2nc3cc(Cl)ccc3s2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)c(Sc2nc3cc(Cl)ccc3s2)c1[*:1]
Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 c1ccc(cc1)C[*:1] Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CN(C(C)(C)C1)[*:1]
Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 c1ccc(cc1)[*:1] Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CN(C[*:1])C(C)(C)C1
CCCn1nnnc1CNc1ccccc1OC CCC[*:1] COc1ccccc1NCc1nnnn1[*:1]
O=C([O-])CCc1cc(Cl)cs1 O=C([O-])[*:1] Clc1csc(c1)CC[*:1]
CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CC[C@H](Oc1ccccc1F)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 Fc1ccccc1O[*:1] CC[C@H](C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)[*:1]
CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] CC[C@H](Oc1ccccc1F)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1
CNC(=O)CCc1cc(C)nc(C2CCN(c3cnccn3)CC2)c1 c1cnc(cn1)[*:1] CNC(=O)CCc1cc(C)nc(c1)C1CCN(CC1)[*:1]
CNC(=O)CCc1cc(C)nc(C2CCN(c3cnccn3)CC2)c1 CNC(=O)CC[*:1] Cc1cc(cc(n1)C1CCN(CC1)c1cnccn1)[*:1]
CNC(=O)CCc1cc(C)nc(C2CCN(c3cnccn3)CC2)c1 CNC(=O)C[*:1] Cc1cc(cc(n1)C1CCN(CC1)c1cnccn1)C[*:1]
CNC(=O)CCc1cc(C)nc(C2CCN(c3cnccn3)CC2)c1 CNC(=O)[*:1] Cc1cc(cc(n1)C1CCN(CC1)c1cnccn1)CC[*:1]
CC(C)c1nc(C[NH2+][C@@H]2C[C@H]3CCCc4cccc2c43)cs1 CC(C)[*:1] c1cc2CCC[C@@H]3C[C@@H]([NH2+]Cc4csc(n4)[*:1])c(c1)c23
CC(C)[C@@H](NC(=O)[C@@H]1CCCCC[C@H]1[NH3+])C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](NC(=O)[C@@H]1CCCCC[C@H]1[NH3+])[*:1]
CC(C)[C@@H](NC(=O)[C@@H]1CCCCC[C@H]1[NH3+])C(=O)[O-] CC(C)[*:1] [NH3+][C@@H]1CCCCC[C@H]1C(=O)N[C@@H](C(=O)[O-])[*:1]
O=C(OCC(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 Clc1ccc(s1)[*:1] O=C(OCC(=O)[*:1])c1ccc2OCOc2c1
COCCOC(=O)Nc1cc([N+](=O)[O-])ccc1Cl COC[*:1] O=C(Nc1cc(ccc1Cl)[N+](=O)[O-])OC[*:1]
COCCOC(=O)Nc1cc([N+](=O)[O-])ccc1Cl COCC[*:1] O=C(Nc1cc(ccc1Cl)[N+](=O)[O-])O[*:1]
COCCOC(=O)Nc1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] COCCOC(=O)Nc1cc(ccc1Cl)[*:1]
Cc1nn(C[C@H](O)COc2ccc(C(C)(C)C)cc2)c(=O)c(C#N)c1C CC(C)(C)[*:1] Cc1nn(C[C@H](O)COc2ccc(cc2)[*:1])c(=O)c(C#N)c1C
O=C1N[C@H](c2ccccc2F)C(C(=O)c2cccs2)=C1O O=C(c1cccs1)[*:1] O=C1N[C@@H](C(=C1O)[*:1])c1ccccc1F
O=C1N[C@H](c2ccccc2F)C(C(=O)c2cccs2)=C1O c1csc(c1)[*:1] O=C1N[C@@H](C(C(=O)[*:1])=C1O)c1ccccc1F
O=C1N[C@H](c2ccccc2F)C(C(=O)c2cccs2)=C1O Fc1ccccc1[*:1] O=C1N[C@H](C(C(=O)c2cccs2)=C1O)[*:1]
C[C@@H](CCCl)S(=O)(=O)c1ccc(C#N)cc1 ClCC[*:1] C[C@@H](S(=O)(=O)c1ccc(C#N)cc1)[*:1]
C[C@@H](CCCl)S(=O)(=O)c1ccc(C#N)cc1 C[C@@H](CCCl)[*:1] N#Cc1ccc(cc1)S(=O)(=O)[*:1]
CCCC[C@@H](C(=O)[O-])[C@H](O)c1cncn1C(C)C O=C([O-])[*:1] CCCC[C@@H]([C@H](O)c1cncn1C(C)C)[*:1]
CCCC[C@@H](C(=O)[O-])[C@H](O)c1cncn1C(C)C CCCC[*:1] CC(C)n1cncc1[C@@H](O)[C@H](C(=O)[O-])[*:1]
CCCC[C@@H](C(=O)[O-])[C@H](O)c1cncn1C(C)C CC(C)[*:1] CCCC[C@@H](C(=O)[O-])[C@H](O)c1cncn1[*:1]
CCCC[C@@H](C(=O)[O-])[C@H](O)c1cncn1C(C)C CCC[*:1] CC(C)n1cncc1[C@@H](O)[C@@H](C[*:1])C(=O)[O-]
O=C(Nc1ccccc1SCc1ccsc1)c1cccc(F)c1 c1cc(cs1)CS[*:1] O=C(Nc1ccccc1[*:1])c1cccc(F)c1
O=C(Nc1ccccc1SCc1ccsc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccccc1SCc1ccsc1)[*:1]
O=C(Nc1ccccc1SCc1ccsc1)c1cccc(F)c1 c1cc(cs1)[*:1] O=C(Nc1ccccc1SC[*:1])c1cccc(F)c1
O=C(Nc1ccccc1SCc1ccsc1)c1cccc(F)c1 c1cc(cs1)C[*:1] O=C(Nc1ccccc1S[*:1])c1cccc(F)c1
O=C([O-])c1cc(Br)cnc1S O=C([O-])[*:1] Sc1ncc(Br)cc1[*:1]
Cc1cc(C)c(OC(=O)c2cccc(C#N)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C)c(OC(=O)c2cccc(C#N)c2)c(c1)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N\O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1/C=N\O)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N\O)cc1 ON=C[*:1] COc1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
COCc1nc(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)cs1 COCc1nc(cs1)[*:1] FC(F)(F)c1ccc(cc1)C1CC[NH+](CC1)C[*:1]
COCc1nc(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)cs1 COC[*:1] FC(F)(F)c1ccc(cc1)C1CC[NH+](CC1)Cc1csc(n1)[*:1]
COCc1nc(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)cs1 FC(F)(F)[*:1] COCc1nc(cs1)C[NH+]1CCC(CC1)c1ccc(cc1)[*:1]
CCN1CCO[C@H](c2noc([C@@H](C)C(=O)C(F)(F)F)n2)C1 FC(F)(F)[*:1] CCN1CCO[C@@H](C1)c1noc(n1)[C@@H](C)C(=O)[*:1]
CCN1CCO[C@H](c2noc([C@@H](C)C(=O)C(F)(F)F)n2)C1 O=C(C(F)(F)F)[*:1] CCN1CCO[C@@H](C1)c1noc(n1)[C@@H](C)[*:1]
CC[NH+](CC(=O)NCC#N)CC(=O)NC(C)(C)C N#CC[*:1] CC[NH+](CC(=O)NC(C)(C)C)CC(=O)N[*:1]
CC[NH+](CC(=O)NCC#N)CC(=O)NC(C)(C)C CC(C)(C)[*:1] CC[NH+](CC(=O)NCC#N)CC(=O)N[*:1]
CC[NH+](CC(=O)NCC#N)CC(=O)NC(C)(C)C N#CCNC(=O)[*:1] CC[NH+](CC(=O)NC(C)(C)C)C[*:1]
COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(SC)nc3)C2)c(OC)c1 CSc1ncc(cn1)C[*:1] COc1ccc(C(=O)[C@@H]2CCCN(C2)[*:1])c(c1)OC
COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(SC)nc3)C2)c(OC)c1 CSc1ncc(cn1)[*:1] COc1ccc(C(=O)[C@@H]2CCCN(C2)C[*:1])c(c1)OC
CC(C)Cn1ncc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c1C1CC1 CC(C)C[*:1] CN(C(=O)c1cnn(c1C1CC1)[*:1])[C@@H]1CCc2ccccc2C1
CC(C)Cn1ncc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c1C1CC1 C1CC1[*:1] CC(C)Cn1ncc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c1[*:1]
CC(C)Cn1ncc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c1C1CC1 CC(C)[*:1] CN(C(=O)c1cnn(C[*:1])c1C1CC1)[C@@H]1CCc2ccccc2C1
O=C(NC[C@@H](O)c1ccco1)c1cccc(F)c1 c1coc(c1)[*:1] O=C(NC[C@@H](O)[*:1])c1cccc(F)c1
CC(C)(O)CC[NH+]1CCc2n[nH]cc2C1 CC(C)(O)C[*:1] c1[nH]nc2CC[NH+](Cc12)C[*:1]
CC(C)(O)CC[NH+]1CCc2n[nH]cc2C1 CC(C)(O)[*:1] c1[nH]nc2CC[NH+](CC[*:1])Cc12
C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2csnn2)C2CC2)o1 C1CC1[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2csnn2)[*:1])o1
C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2csnn2)C2CC2)o1 c1snnc1[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)[*:1])C2CC2)o1
C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2sccc2c1=O CC(=O)[*:1] C=CCn1c(nc2sccc2c1=O)SCC(=O)c1[nH]c(C)c(c1C)[*:1]
C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2sccc2c1=O C=CC[*:1] CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3sccc3c(=O)n2[*:1])c1C
CC(C)COc1nc(Nc2ccccc2)ccc1N c1ccc(cc1)[*:1] CC(C)COc1nc(ccc1N)N[*:1]
CC(C)COc1nc(Nc2ccccc2)ccc1N CC(C)C[*:1] Nc1ccc(nc1O[*:1])Nc1ccccc1
CC(C)COc1nc(Nc2ccccc2)ccc1N CC(C)CO[*:1] Nc1ccc(nc1[*:1])Nc1ccccc1
CC(C)COc1nc(Nc2ccccc2)ccc1N CC(C)[*:1] Nc1ccc(nc1OC[*:1])Nc1ccccc1
CCn1cc(C(=O)N2CC=C(c3cccc(C)c3)CC2)cn1 Cc1cccc(c1)[*:1] CCn1cc(cn1)C(=O)N1CC=C(CC1)[*:1]
CCn1cc(C(=O)N2CC=C(c3cccc(C)c3)CC2)cn1 CCn1cc(cn1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)[*:1]
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3CCN(c4cnccn4)CC3)cc2)C1 c1cnc(cn1)[*:1] C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(cc2)CNC(=O)C2CCN(CC2)[*:1])C1
CC(C)Oc1cccnc1C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 CC(C)O[*:1] C[C@@H](CNC(=O)c1ncccc1[*:1])c1nc(no1)-c1ccccc1
CC(C)Oc1cccnc1C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)Oc1cccnc1C(=O)NC[C@H](C)c1nc(no1)[*:1]
CC(C)Oc1cccnc1C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 CC(C)[*:1] C[C@@H](CNC(=O)c1ncccc1O[*:1])c1nc(no1)-c1ccccc1
Cc1nc2cc(NC(=O)CCn3cc[nH+]c3C(C)C)ccc2n1C CC(C)[*:1] Cc1nc2cc(ccc2n1C)NC(=O)CCn1cc[nH+]c1[*:1]
N#CCSc1nnnn1-c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] N#CCSc1nnnn1-c1ccc(cc1)[*:1]
N#CCSc1nnnn1-c1ccc(C(=O)[O-])cc1 N#CCS[*:1] O=C([O-])c1ccc(cc1)-n1nnnc1[*:1]
N#CCSc1nnnn1-c1ccc(C(=O)[O-])cc1 N#CC[*:1] O=C([O-])c1ccc(cc1)-n1nnnc1S[*:1]
Cc1cc(=O)c(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c[nH]1 c1ccc(cc1)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)NCCCC[NH+]1CCN(CC1)[*:1]
Cc1cc(=O)c(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] O=C(NCCCC[NH+]1CCN(CC1)c1ccccc1)[*:1]
C[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1ccc(-n2cccn2)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)CN(C)C(=O)O[*:1])c1ccc(cc1)-n1cccn1
C[C@H](CNC(=O)N1Cc2ccccc2N(C)C[C@H]1C)Cn1cccn1 C[C@H](Cn1cccn1)[*:1] C[C@@H]1CN(C)c2ccccc2CN1C(=O)NC[*:1]
C[C@H](CNC(=O)N1Cc2ccccc2N(C)C[C@H]1C)Cn1cccn1 c1cnn(c1)[*:1] C[C@H](CNC(=O)N1Cc2ccccc2N(C)C[C@H]1C)C[*:1]
C[C@H](CNC(=O)N1Cc2ccccc2N(C)C[C@H]1C)Cn1cccn1 c1cnn(c1)C[*:1] C[C@@H]1CN(C)c2ccccc2CN1C(=O)NC[C@@H](C)[*:1]
CCc1cccc(NC(=O)[C@H](C)[S@](=O)Cc2ccccc2F)c1 Fc1ccccc1[*:1] CCc1cccc(c1)NC(=O)[C@H](C)[S@](=O)C[*:1]
COC[C@@H](C)NC(=O)Nc1ccccc1OC1CCCC1 C1CCC(C1)[*:1] COC[C@@H](C)NC(=O)Nc1ccccc1O[*:1]
COC[C@@H](C)NC(=O)Nc1ccccc1OC1CCCC1 COC[*:1] C[C@@H](NC(=O)Nc1ccccc1OC1CCCC1)[*:1]
COC[C@@H](C)NC(=O)Nc1ccccc1OC1CCCC1 C1CCC(C1)O[*:1] COC[C@@H](C)NC(=O)Nc1ccccc1[*:1]
COC[C@@H](C)NC(=O)Nc1ccccc1OC1CCCC1 COC[C@@H](C)[*:1] O=C(Nc1ccccc1OC1CCCC1)N[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cc1Cl CC(C)[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(NC(=O)[*:1])c(Cl)c1
CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cc1Cl CC(C)C(=O)N[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(c(Cl)c1)[*:1]
O=C(CNC(=O)N1CCN(c2ncccn2)CC1)Nc1cccc(C(F)(F)F)c1 c1cnc(nc1)[*:1] O=C(CNC(=O)N1CCN(CC1)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(CNC(=O)N1CCN(c2ncccn2)CC1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CNC(=O)N1CCN(CC1)c1ncccn1)Nc1cccc(c1)[*:1]
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)C1CCCC1 CCC[*:1] O=C(CN(C(=O)C1CCCC1)[*:1])N1CCc2sccc2[C@@H]1c1ccccc1
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)C1CCCC1 c1ccc(cc1)[*:1] CCCN(CC(=O)N1CCc2sccc2[C@H]1[*:1])C(=O)C1CCCC1
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)C1CCCC1 C1CCC(C1)[*:1] CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)[*:1]
COc1ccc(NC(=O)NNC(=O)[C@H]2CC(c3cccnc3)=NO2)cc1 COc1ccc(cc1)[*:1] O=C(NNC(=O)[C@H]1CC(=NO1)c1cccnc1)N[*:1]
COc1ccc(NC(=O)NNC(=O)[C@H]2CC(c3cccnc3)=NO2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)NC(=O)NNC(=O)[C@H]1CC(=NO1)[*:1]
CC(=O)N[C@H]1[C@@H](OCc2ccccc2Cl)O[C@H](CO)[C@H](O)[C@@H]1O CC(=O)N[*:1] OC[C@H]1O[C@H](OCc2ccccc2Cl)[C@@H]([C@@H](O)[C@H]1O)[*:1]
CC(=O)N[C@H]1[C@@H](OCc2ccccc2Cl)O[C@H](CO)[C@H](O)[C@@H]1O Clc1ccccc1[*:1] CC(=O)N[C@H]1[C@@H](OC[*:1])O[C@H](CO)[C@H](O)[C@@H]1O
Nc1c2c(nc[n+]1CCCO)Oc1c(ccc3ccccc13)[C@@H]2c1ccccc1Cl OCC[*:1] Nc1c2c(nc[n+]1C[*:1])Oc1c(ccc3ccccc13)[C@@H]2c1ccccc1Cl
Nc1c2c(nc[n+]1CCCO)Oc1c(ccc3ccccc13)[C@@H]2c1ccccc1Cl Clc1ccccc1[*:1] Nc1c2c(nc[n+]1CCCO)Oc1c(ccc3ccccc13)[C@H]2[*:1]
Nc1c2c(nc[n+]1CCCO)Oc1c(ccc3ccccc13)[C@@H]2c1ccccc1Cl OCCC[*:1] Nc1c2c(nc[n+]1[*:1])Oc1c(ccc3ccccc13)[C@@H]2c1ccccc1Cl
CC(=O)N(c1nc(COc2ccc(S(C)(=O)=O)cc2)cs1)c1c(C)cc(C)cc1C CS(=O)(=O)[*:1] CC(=O)N(c1nc(cs1)COc1ccc(cc1)[*:1])c1c(C)cc(C)cc1C
CC(=O)N(c1nc(COc2ccc(S(C)(=O)=O)cc2)cs1)c1c(C)cc(C)cc1C CS(=O)(=O)c1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)CO[*:1])c1c(C)cc(C)cc1C
CC(=O)N(c1nc(COc2ccc(S(C)(=O)=O)cc2)cs1)c1c(C)cc(C)cc1C Cc1cc(C)c(c(C)c1)[*:1] CC(=O)N(c1nc(cs1)COc1ccc(cc1)S(C)(=O)=O)[*:1]
Cc1nc(NCCNC(=O)c2ccccc2Cl)cc(N2CCOCC2)n1 Clc1ccccc1[*:1] Cc1nc(cc(n1)N1CCOCC1)NCCNC(=O)[*:1]
Cc1nc(NCCNC(=O)c2ccccc2Cl)cc(N2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1nc(cc(n1)[*:1])NCCNC(=O)c1ccccc1Cl
CCCc1nnc(NC(=O)/C=C/c2ccc(-n3ccnc3)cc2)s1 c1cn(cn1)[*:1] CCCc1nnc(NC(=O)/C=C/c2ccc(cc2)[*:1])s1
CCCc1nnc(NC(=O)/C=C/c2ccc(-n3ccnc3)cc2)s1 CCCc1nnc(s1)[*:1] O=C(/C=C/c1ccc(cc1)-n1ccnc1)N[*:1]
CCCc1nnc(NC(=O)/C=C/c2ccc(-n3ccnc3)cc2)s1 CCC[*:1] O=C(/C=C/c1ccc(cc1)-n1ccnc1)Nc1nnc(s1)[*:1]
O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2sc3ccccc3c21)Nc1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(Cn1c(=O)n(c(=O)c2sc3ccccc3c21)[*:1])Nc1ccc(F)cc1
O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2sc3ccccc3c21)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)n(C[*:1])c(=O)c2sc3ccccc3c21)Nc1ccc(F)cc1
O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2sc3ccccc3c21)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=c1c2sc3ccccc3c2n(C[*:1])c(=O)n1Cc1ccccc1
O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2sc3ccccc3c21)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2sc3ccccc3c21)N[*:1]
O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2sc3ccccc3c21)Nc1ccc(F)cc1 O=C(C[*:1])Nc1ccc(F)cc1 O=c1c2sc3ccccc3c2n(c(=O)n1Cc1ccccc1)[*:1]
COCC[C@@H]1CN(C(C)C)C(=O)C1(c1ccccc1)c1ccccc1 COC[*:1] CC(C)N1C[C@@H](C[*:1])C(C1=O)(c1ccccc1)c1ccccc1
COCC[C@@H]1CN(C(C)C)C(=O)C1(c1ccccc1)c1ccccc1 CC(C)[*:1] COCC[C@@H]1CN(C(=O)C1(c1ccccc1)c1ccccc1)[*:1]
COCC[C@@H]1CN(C(C)C)C(=O)C1(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COCC[C@@H]1CN(C(=O)C1(c1ccccc1)[*:1])C(C)C
COCC[C@@H]1CN(C(C)C)C(=O)C1(c1ccccc1)c1ccccc1 COCC[*:1] CC(C)N1C[C@H](C(C1=O)(c1ccccc1)c1ccccc1)[*:1]
CC(C)(C)c1csc(C[C@]2(CO)CCOC2)n1 CC(C)(C)[*:1] OC[C@]1(CCOC1)Cc1nc(cs1)[*:1]
Brc1ccc(OCc2nnc3n2N[C@H]([C@@H]2C=c4ccccc4=[NH+]2)S3)cc1 Brc1ccc(cc1)[*:1] C1=c2ccccc2=[NH+][C@@H]1[C@H]1Nn2c(CO[*:1])nnc2S1
Brc1ccc(OCc2nnc3n2N[C@H]([C@@H]2C=c4ccccc4=[NH+]2)S3)cc1 Brc1ccc(cc1)O[*:1] C1=c2ccccc2=[NH+][C@@H]1[C@H]1Nn2c(C[*:1])nnc2S1
Cn1cccc1/C([O-])=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1 Cn1cccc1[*:1] N#C/C(C(=O)Nc1ccc(cc1)SC(F)F)=C(/[O-])[*:1]
Cn1cccc1/C([O-])=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] Cn1cccc1/C([O-])=C(\C#N)C(=O)Nc1ccc(cc1)S[*:1]
Cn1cccc1/C([O-])=C(\C#N)C(=O)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] Cn1cccc1/C([O-])=C(\C#N)C(=O)Nc1ccc(cc1)[*:1]
COc1cccc(C2=C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4OC)CC3)N=N2)c1 COc1ccccc1[*:1] COc1cccc(c1)C1=C[C@H](N=N1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C2=C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4OC)CC3)N=N2)c1 COc1cccc(c1)[*:1] COc1ccccc1C(=O)N1CCN(CC1)C(=O)[C@@H]1C=C(N=N1)[*:1]
CCCC[C@H]1C=CCN1C(=O)c1c(O)cccc1O CCC[*:1] O=C(c1c(O)cccc1O)N1CC=C[C@@H]1C[*:1]
CCCC[C@H]1C=CCN1C(=O)c1c(O)cccc1O CCCC[*:1] O=C(c1c(O)cccc1O)N1CC=C[C@@H]1[*:1]
C=CCC[C@H](C)OC(=O)[C@@H]1CNC(=O)C1 C=CCC[*:1] C[C@H](OC(=O)[C@@H]1CNC(=O)C1)[*:1]
C=CCC[C@H](C)OC(=O)[C@@H]1CNC(=O)C1 C=CC[*:1] C[C@@H](C[*:1])OC(=O)[C@@H]1CNC(=O)C1
C[C@H]1C[C@@H](NC(=O)Cn2c(=O)cnc3ccccc32)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1[*:1])NC(=O)Cn1c(=O)cnc2ccccc21
CNC(=O)[C@@H](C)Nc1nc2ccc(Cl)cn2n1 CNC(=O)[*:1] C[C@@H](Nc1nc2ccc(Cl)cn2n1)[*:1]
CCc1nc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)c[nH]1 c1ccc(cc1)[*:1] CCc1nc(c[nH]1)C(=O)N1CCCC[C@@H]1CC[*:1]
CCc1nc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)c[nH]1 c1ccc(cc1)C[*:1] CCc1nc(c[nH]1)C(=O)N1CCCC[C@@H]1C[*:1]
COc1ccccc1N1CCN(C(=O)Cn2ncc3cccn3c2=O)CC1 COc1ccccc1[*:1] O=C(Cn1ncc2cccn2c1=O)N1CCN(CC1)[*:1]
O=C(N/N=C/c1ccncc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 c1cc(ccn1)[*:1] O=C(NN=C[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
O=C(N/N=C/c1ccncc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(N/N=C/c1ccncc1)C1CCN(CC1)S(=O)(=O)[*:1]
CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccccc1)=N2 c1ccc(cc1)[*:1] CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(=N2)[*:1]
CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccccc1)=N2 Clc1ccc(cc1)[*:1] CC[NH+]1CCC2(CC1)N=C(SCC(=O)N[*:1])C(=N2)c1ccccc1
CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccccc1)=N2 O=C(Nc1ccc(Cl)cc1)[*:1] CC[NH+]1CCC2(CC1)N=C(SC[*:1])C(=N2)c1ccccc1
O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Fc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Fc1ccc(cc1)CC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
COc1ccc(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(O)cc1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 Oc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 c1ccc(cc1)[*:1] NC(=O)[C@@H](N1CCN(CC1)C(=O)c1cc(F)cc(F)c1)[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 NC(=O)[*:1] O=C(c1cc(F)cc(F)c1)N1CCN(CC1)[C@H](c1ccccc1)[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 Fc1cc(F)cc(c1)[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
CCn1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cn1 Fc1ccc(cc1)[*:1] CCn1cc(cn1)C(=O)NC1CC[NH+](CC1)C[*:1]
CCn1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cn1 CCn1cc(cn1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(F)cc1)[*:1]
CCn1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cn1 Fc1ccc(cc1)C[*:1] CCn1cc(cn1)C(=O)NC1CC[NH+](CC1)[*:1]
CC[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cnn(C)c1 Fc1ccc(cc1)[*:1] CC[C@H]([NH2+]CCc1coc(n1)[*:1])c1cnn(C)c1
CC[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@H]([NH2+]CCc1coc(n1)-c1ccc(F)cc1)[*:1]
COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2ccc(OC)nc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cn1)C(=O)N1CCc2[nH]cnc2[C@@H]1[*:1]
COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2ccc(OC)nc2)cc1 COc1ccc(cn1)[*:1] COc1ccc(cc1)[C@H]1c2nc[nH]c2CCN1C(=O)[*:1]
Cc1cc(NCCc2cccc(C(=O)N(C)C)c2)ccc1[N+](=O)[O-] CN(C)C(=O)[*:1] Cc1cc(ccc1[N+](=O)[O-])NCCc1cccc(c1)[*:1]
Cc1cc(NCCc2cccc(C(=O)N(C)C)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])NCCc1cccc(c1)C(=O)N(C)C
C[C@@H](Oc1ccccc1-c1ccccc1)C(=O)N[C@@H]1CCCOC1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1[*:1])C(=O)N[C@@H]1CCCOC1
C[C@@H](Oc1ccccc1-c1ccccc1)C(=O)N[C@@H]1CCCOC1 C1COC[C@@H](C1)[*:1] C[C@@H](Oc1ccccc1-c1ccccc1)C(=O)N[*:1]
Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccc2c(c1)CCCN2C(=O)C[*:1]
COCC(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 COC[*:1] O=C(NCc1ccccn1)c1cccc(c1)NC(=O)[*:1]
COCC(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 c1ccc(C[*:1])nc1 COCC(=O)Nc1cccc(c1)C(=O)N[*:1]
COCC(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 c1ccc(nc1)[*:1] COCC(=O)Nc1cccc(c1)C(=O)NC[*:1]
COCC(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 COCC(=O)N[*:1] O=C(NCc1ccccn1)c1cccc(c1)[*:1]
C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 C1CO[C@H](C1)C[*:1] C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)[*:1]
C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 Clc1ccc(cc1)[*:1] C[C@H](C[C@H]1CCCO1)[NH2+][C@@H]([C@@H]1CN(C)CCO1)[*:1]
C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 C1CO[C@H](C1)[*:1] C[C@H](C[*:1])[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1
C/C(=C/C(=O)N[C@H](C)c1ccccc1)NNC(=O)c1ccccc1Br c1ccc(cc1)[*:1] C/C(=C/C(=O)N[C@H](C)[*:1])NNC(=O)c1ccccc1Br
C/C(=C/C(=O)N[C@H](C)c1ccccc1)NNC(=O)c1ccccc1Br Brc1ccccc1[*:1] C/C(=C/C(=O)N[C@H](C)c1ccccc1)NNC(=O)[*:1]
C/C(=C/C(=O)N[C@H](C)c1ccccc1)NNC(=O)c1ccccc1Br C[C@H](c1ccccc1)[*:1] C/C(=C/C(=O)N[*:1])NNC(=O)c1ccccc1Br
O=C(c1ccccc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCCC1 c1ccc(cc1)[*:1] O=C(N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCCC1)[*:1]
O=C(c1ccccc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(c1ccccc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)[*:1]
C[C@H](O)CCN(C)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] C[C@H](O)CCN(C)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
O=C(Cc1c2cccccc-2[nH]c1=O)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1c2cccccc-2[nH]c1=O)NC(c1ccccc1)[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1Br Fc1cc(Br)ccc1[*:1] CCOc1ccc(cc1Br)C(=O)NC(=S)N[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1Br CCO[*:1] O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(c(Br)c1)[*:1]
O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H](O)C1CC1 C1CC1[*:1] O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H](O)[*:1]
O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H](O)C1CC1 O[C@@H](C1CC1)[*:1] O=C(C[C@@H]1C[NH2+]CCO1)NC[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)N[C@@H]1CCCN(C1)[*:1]
COc1ccc(NC(=O)C(=O)NCc2cccc(Cn3cncn3)c2)c(Cl)c1 c1ncn(n1)[*:1] COc1ccc(NC(=O)C(=O)NCc2cccc(c2)C[*:1])c(Cl)c1
COc1ccc(NC(=O)C(=O)NCc2cccc(Cn3cncn3)c2)c(Cl)c1 c1ncn(C[*:1])n1 COc1ccc(NC(=O)C(=O)NCc2cccc(c2)[*:1])c(Cl)c1
COc1ccc(NC(=O)C(=O)NCc2cccc(Cn3cncn3)c2)c(Cl)c1 COc1ccc(c(Cl)c1)[*:1] O=C(NCc1cccc(c1)Cn1cncn1)C(=O)N[*:1]
CNC(=O)CC1CCN(C(=O)N[C@@H](C)CSC)CC1 CSC[C@H](C)[*:1] CNC(=O)CC1CCN(CC1)C(=O)N[*:1]
CNC(=O)CC1CCN(C(=O)N[C@@H](C)CSC)CC1 CSC[*:1] CNC(=O)CC1CCN(CC1)C(=O)N[C@@H](C)[*:1]
CNC(=O)CC1CCN(C(=O)N[C@@H](C)CSC)CC1 CNC(=O)[*:1] CSC[C@H](C)NC(=O)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)N[C@@H](C)CSC)CC1 CNC(=O)C[*:1] CSC[C@H](C)NC(=O)N1CCC(CC1)[*:1]
OCC[NH+](Cc1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] OCC[NH+](Cc1cccc(c1)C(F)(F)F)[*:1]
OCC[NH+](Cc1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] OCC[NH+](Cc1cccc(c1)[*:1])C1CC1
OCC[NH+](Cc1cccc(C(F)(F)F)c1)C1CC1 OCC[*:1] FC(F)(F)c1cccc(c1)C[NH+](C1CC1)[*:1]
CC(C)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N1CCC[C@@H](C)C1 C[C@@H]1CCCN(C1)C(=O)[*:1] CC(C)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)[*:1]
CC(C)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N1CCC[C@@H](C)C1 C1CC1[*:1] CC(C)[C@@H](Sc1nnc(n1-c1ccccc1)[*:1])C(=O)N1CCC[C@@H](C)C1
CC(C)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N1CCC[C@@H](C)C1 c1ccc(cc1)[*:1] CC(C)[C@@H](Sc1nnc(C2CC2)n1[*:1])C(=O)N1CCC[C@@H](C)C1
CC(C)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N1CCC[C@@H](C)C1 CC(C)[*:1] C[C@@H]1CCCN(C1)C(=O)[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)[*:1]
C=CCCCN(C)C(=O)C(=O)Nc1cccc([S@](C)=O)c1 C=CC[*:1] CN(CC[*:1])C(=O)C(=O)Nc1cccc(c1)[S@](C)=O
C=CCCCN(C)C(=O)C(=O)Nc1cccc([S@](C)=O)c1 C=CCCC[*:1] CN(C(=O)C(=O)Nc1cccc(c1)[S@](C)=O)[*:1]
C=CCCCN(C)C(=O)C(=O)Nc1cccc([S@](C)=O)c1 C=CCC[*:1] CN(C[*:1])C(=O)C(=O)Nc1cccc(c1)[S@](C)=O
CCN(CC)C(=O)CSc1nc2c(cc1C#N)CCCCC2 CCN(CC)C(=O)[*:1] N#Cc1cc2CCCCCc2nc1SC[*:1]
CCNC(=O)c1ccc2c([O-])n(Cc3ccco3)c(=S)nc2c1 c1coc(c1)C[*:1] CCNC(=O)c1ccc2c([O-])n(c(=S)nc2c1)[*:1]
CCNC(=O)c1ccc2c([O-])n(Cc3ccco3)c(=S)nc2c1 c1coc(c1)[*:1] CCNC(=O)c1ccc2c([O-])n(C[*:1])c(=S)nc2c1
CCNC(=O)c1ccc2c([O-])n(Cc3ccco3)c(=S)nc2c1 CCNC(=O)[*:1] [O-]c1c2ccc(cc2nc(=S)n1Cc1ccco1)[*:1]
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nnc(o1)SC[*:1]
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCCC1 O=[N+]([O-])[*:1] O=C(CSc1nnc(o1)-c1ccc(cc1)[*:1])N1CCCCC1
CS[C@@H](C)C(=O)Nc1[nH]nc(C2CC2)c1C C1CC1[*:1] CS[C@@H](C)C(=O)Nc1[nH]nc(c1C)[*:1]
CS[C@@H](C)C(=O)Nc1[nH]nc(C2CC2)c1C CS[C@@H](C)[*:1] Cc1c(n[nH]c1NC(=O)[*:1])C1CC1
Cc1noc(C)c1[C@H](C)CNCc1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(C)c1[C@H](C)CNCc1ccn(n1)[*:1]
Cc1noc(C)c1[C@H](C)CNCc1ccn(-c2ccccc2)n1 Cc1noc(C)c1[*:1] C[C@H](CNCc1ccn(n1)-c1ccccc1)[*:1]
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NNC(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NNC(=O)NC[*:1]
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NNC(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NNC(=O)N[*:1]
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NNC(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@H](Oc1ccccc1[*:1])C(=O)NNC(=O)NCC(F)(F)F
CCCn1cc([C@H](NC)C(C)(C)[NH+](C)C)cn1 CCC[*:1] CN[C@@H](c1cnn(c1)[*:1])C(C)(C)[NH+](C)C
N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1)c1ccc(F)cn1 Clc1ccc(cc1)[*:1] N#C[C@@H](C(=O)C=C[*:1])c1ccc(F)cn1
N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@@H](C(=O)/C=C/c1ccc(Cl)cc1)[*:1]
COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)cc1C Cc1ccc(cc1)[*:1] COc1ccc(/C=N/NC(=O)CO[*:1])cc1C
Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C#N)CC2=O)c1 N#Cc1ccccc1[*:1] Cc1cccc(c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C#N)CC2=O)c1 Cc1cccc(c1)[*:1] N#Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCN(C(=O)C1C[C@@H](C)O[C@H](C)C1)c1ccncc1 c1cc(ccn1)[*:1] CCN(C(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
Cc1cc(Br)ccc1N(C)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 Cc1cc(Br)ccc1[*:1] CN(C(=O)CCc1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
Cc1cc(Br)ccc1N(C)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] Cc1cc(Br)ccc1N(C)C(=O)CCc1ccc(cc1)[*:1]
CC[C@@H](c1ccccc1)[S@@](=O)CCOc1ccc2c(c1)CCC(=O)N2 c1ccc(cc1)[*:1] CC[C@@H]([S@@](=O)CCOc1ccc2NC(=O)CCc2c1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NC1CCN(CC1)c1ccc(cn1)[*:1]
O=C(COc1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 Brc1ccccc1[*:1] O=C(COc1cccc2ccccc12)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(COc1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 c1ccc2c(cccc2c1)[*:1] O=C(CO[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1Br
COc1ccc(-c2cc3c(N4CCC([NH+]5CCCCC5)CC4)nccn3n2)cc1OC COc1ccc(cc1OC)[*:1] c1cn2nc(cc2c(n1)N1CCC(CC1)[NH+]1CCCCC1)[*:1]
CCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C CC(C)C[*:1] CCCNC(=O)N[C@@H](C[NH+](C)C)[*:1]
CCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C CCC[*:1] CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[*:1]
CCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C CC(C)[*:1] CCCNC(=O)N[C@H](C[NH+](C)C)C[*:1]
CCOCc1ccc(C(=O)N2CCC[C@H]2c2nc(NC)c3c([nH+]2)CN(C(C)=O)CC3)cc1 CCO[*:1] CNc1nc([nH+]c2CN(CCc12)C(C)=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)C[*:1]
CCOCc1ccc(C(=O)N2CCC[C@H]2c2nc(NC)c3c([nH+]2)CN(C(C)=O)CC3)cc1 CCOCc1ccc(cc1)[*:1] CNc1nc([nH+]c2CN(CCc12)C(C)=O)[C@@H]1CCCN1C(=O)[*:1]
CCOCc1ccc(C(=O)N2CCC[C@H]2c2nc(NC)c3c([nH+]2)CN(C(C)=O)CC3)cc1 CCOC[*:1] CNc1nc([nH+]c2CN(CCc12)C(C)=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NC[*:1]
COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 C1CO[C@@H](C1)C[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1ccccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O Clc1cccc(c1)[*:1] Cc1ccccc1/C=C1/NC(=O)N(C1=O)[*:1]
Cc1ccccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O Cc1ccccc1[*:1] O=C1NC(=C[*:1])C(=O)N1c1cccc(Cl)c1
COc1cc(CN2CCOC[C@H]2C#N)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(CN2CCOC[C@H]2C#N)c(cc1OC)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1 CCC[C@H](C)[*:1] C[C@@H](Sc1nc(n[nH]1)-c1cccs1)C(=O)N[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] CCC[C@H](C)NC(=O)[C@@H](C)Sc1nc(n[nH]1)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1 CCC[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nc(n[nH]1)-c1cccs1)[*:1]
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] CC[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CC[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)CS(=O)(=O)[*:1]
Cc1cc(C)cc(OCC(=O)N/N=C\c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)OCC(=O)NN=C[*:1]
COC(=O)Cc1ccc(CNc2cccc([S@](C)=O)c2)s1 COC(=O)[*:1] C[S@](=O)c1cccc(c1)NCc1ccc(C[*:1])s1
COC(=O)Cc1ccc(CNc2cccc([S@](C)=O)c2)s1 COC(=O)C[*:1] C[S@](=O)c1cccc(c1)NCc1ccc(s1)[*:1]
CCC[C@H](CC)n1c(CCCl)nc2cccnc21 CCC[C@H](CC)[*:1] ClCCc1nc2cccnc2n1[*:1]
CCC[C@H](CC)n1c(CCCl)nc2cccnc21 ClCC[*:1] CCC[C@H](CC)n1c(nc2cccnc21)[*:1]
CCC[C@H](CC)n1c(CCCl)nc2cccnc21 CCC[*:1] CC[C@H](n1c(CCCl)nc2cccnc21)[*:1]
Cc1cc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)no1 Cc1cc(no1)[*:1] O=C(N1CC[C@@H](c2ccc3OCOc3c2)[C@H](O)C1)[*:1]
CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C CC(C)(C)[*:1] CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)[*:1]
[NH3+]CCOCC(=O)N1CCN(c2cccc[nH+]2)CC1 [NH3+]CCO[*:1] O=C(C[*:1])N1CCN(CC1)c1cccc[nH+]1
[NH3+]CCOCC(=O)N1CCN(c2cccc[nH+]2)CC1 [NH3+]CC[*:1] O=C(CO[*:1])N1CCN(CC1)c1cccc[nH+]1
[NH3+]CCOCC(=O)N1CCN(c2cccc[nH+]2)CC1 c1ccc([nH+]c1)[*:1] [NH3+]CCOCC(=O)N1CCN(CC1)[*:1]
[NH3+]CCOCC(=O)N1CCN(c2cccc[nH+]2)CC1 [NH3+]CCOC[*:1] O=C(N1CCN(CC1)c1cccc[nH+]1)[*:1]
C[C@H]1CN(c2ccc(N)c(OC(C)(C)C)n2)C[C@@H]1C CC(C)(C)[*:1] C[C@H]1CN(C[C@@H]1C)c1ccc(N)c(n1)O[*:1]
C[C@H]1CN(c2ccc(N)c(OC(C)(C)C)n2)C[C@@H]1C CC(C)(C)O[*:1] C[C@H]1CN(C[C@@H]1C)c1ccc(N)c(n1)[*:1]
[NH-]S(=O)(=O)c1ccc2nccnc2[nH+]1 [NH-]S(=O)(=O)[*:1] c1cnc2[nH+]c(ccc2n1)[*:1]
CCOc1ccc2nc3sc(C(C)=O)c(N)c3cc2c1 CCO[*:1] CC(=O)c1sc2nc3ccc(cc3cc2c1N)[*:1]
CCOc1ccc2nc3sc(C(C)=O)c(N)c3cc2c1 CC(=O)[*:1] CCOc1ccc2nc3sc(c(N)c3cc2c1)[*:1]
O=C(NCCOCC(F)(F)F)Nc1ccc(Cl)cc1 FC(F)(F)C[*:1] O=C(NCCO[*:1])Nc1ccc(Cl)cc1
O=C(NCCOCC(F)(F)F)Nc1ccc(Cl)cc1 FC(F)(F)[*:1] O=C(NCCOC[*:1])Nc1ccc(Cl)cc1
O=C(NCCOCC(F)(F)F)Nc1ccc(Cl)cc1 FC(F)(F)CO[*:1] O=C(NCC[*:1])Nc1ccc(Cl)cc1
Cc1ccc(NC(=O)CCCc2ccccc2)cc1O c1ccc(cc1)[*:1] Cc1ccc(cc1O)NC(=O)CCC[*:1]
Cc1nc([C@H](N[C@H](C)Cc2ccc(Cl)cc2)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@H](N[C@H](C)Cc1ccc(Cl)cc1)[*:1]
Cc1nc([C@H](N[C@H](C)Cc2ccc(Cl)cc2)c2ccccc2)n[nH]1 Clc1ccc(cc1)C[*:1] Cc1nc(n[nH]1)[C@H](N[C@H](C)[*:1])c1ccccc1
Cc1nc([C@H](N[C@H](C)Cc2ccc(Cl)cc2)c2ccccc2)n[nH]1 Clc1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@H](N[C@H](C)C[*:1])c1ccccc1
Cc1nc([C@H](N[C@H](C)Cc2ccc(Cl)cc2)c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@H](Cc1ccc(Cl)cc1)N[C@H](c1ccccc1)[*:1]
C/C=C/C=C/C(=O)NCc1cc(F)cc(Br)c1 CC=C[*:1] O=C(C=C[*:1])NCc1cc(F)cc(Br)c1
C/C=C/C=C/C(=O)NCc1cc(F)cc(Br)c1 C/C=C/C=C[*:1] O=C(NCc1cc(F)cc(Br)c1)[*:1]
C[C@H](NC(=O)NCc1ccccc1CO)[C@H](C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](NC(=O)NCc1ccccc1CO)[C@H](C)[*:1]
COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1cc(Cl)c(Cl)cc1Cl Clc1cc(Cl)c(cc1Cl)[*:1] COc1ccc2c(C(=O)O[C@H]2N2C(=O)CC[C@H]2C(=O)N[*:1])c1OC
Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C(C)(C)C)cc1 CC(C)C(=O)N(C(C)(C)C)[*:1] Cc1ccc(cc1)OC[C@H]1c2ccsc2CCN1C(=O)C[*:1]
Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C(C)(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1CO[*:1])C(C)(C)C
Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)C(C)C)[*:1]
Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C(C)(C)C)cc1 Cc1ccc(cc1)O[*:1] CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1C[*:1])C(C)(C)C
Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C(C)(C)C)cc1 Cc1ccc(cc1)OC[*:1] CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1[*:1])C(C)(C)C
Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C(C)(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)[*:1])C(C)(C)C
CCn1cc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cn1 O=C([O-])[*:1] CCn1cc(cn1)CNC(=O)[C@H]1CC=CC[C@@H]1[*:1]
CC(C)(C(=O)N1CCC(CC(N)=O)CC1)c1ccc(Cl)cc1 NC(=O)[*:1] CC(C)(C(=O)N1CCC(CC1)C[*:1])c1ccc(Cl)cc1
CC(C)(C(=O)N1CCC(CC(N)=O)CC1)c1ccc(Cl)cc1 NC(=O)C[*:1] CC(C)(C(=O)N1CCC(CC1)[*:1])c1ccc(Cl)cc1
CC(C)(C(=O)N1CCC(CC(N)=O)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C(=O)N1CCC(CC1)CC(N)=O)[*:1]
O=C([O-])[C@@H](Cc1cccc(F)c1)[C@H]1CCOC2(CCC2)C1 Fc1cccc(c1)[*:1] O=C([O-])[C@@H](C[*:1])[C@H]1CCOC2(CCC2)C1
O=C([O-])[C@@H](Cc1cccc(F)c1)[C@H]1CCOC2(CCC2)C1 O=C([O-])[*:1] Fc1cccc(c1)C[C@@H]([C@H]1CCOC2(CCC2)C1)[*:1]
O=C(Nc1ccc(Br)cc1O)[C@@H]1C[C@@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(Br)cc1O)[C@@H]1C[C@H]1[*:1]
Cc1nc(CNC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)oc1C Cc1nc(C[*:1])oc1C O=C(N[*:1])[C@H]1CC(=NO1)c1cc(F)ccc1F
Cc1nc(CNC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)oc1C Cc1nc(oc1C)[*:1] O=C(NC[*:1])[C@H]1CC(=NO1)c1cc(F)ccc1F
Cc1nc(CNC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)oc1C Fc1ccc(F)c(c1)[*:1] Cc1nc(CNC(=O)[C@H]2CC(=NO2)[*:1])oc1C
CCOC(C[NH2+][C@H]1CCCc2cc(O)ccc21)OCC CCO[*:1] CCOC(C[NH2+][C@H]1CCCc2cc(O)ccc21)[*:1]
COC(=O)C1(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCC1 O=[N+]([O-])[*:1] COC(=O)C1(CCCC1)NC(=O)c1cnn(c1)-c1ccc(cc1)[*:1]
COC(=O)C1(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCC1 COC(=O)[*:1] O=C(NC1(CCCC1)[*:1])c1cnn(c1)-c1ccc(cc1)[N+](=O)[O-]
Cc1csc(-c2cccc(NC(=O)C3C[C@H](C)O[C@@H](C)C3)c2)n1 Cc1csc(n1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1cccc(c1)[*:1]
CNS(=O)(=O)c1cc(C(=O)N(C)CC2=NC(=O)[C@H]3SC=CC3=N2)ccc1Cl CNS(=O)(=O)[*:1] CN(CC1=NC(=O)[C@H]2SC=CC2=N1)C(=O)c1ccc(Cl)c(c1)[*:1]
Cc1cc(-c2ccncc2)c(C#N)c(SCC(=O)n2nc(C)cc2C)n1 c1cc(ccn1)[*:1] Cc1cc(c(C#N)c(n1)SCC(=O)n1nc(C)cc1C)[*:1]
CCc1ccc(OCC(=O)Nc2nn3c(-c4ccc(C)c(F)c4)nnc3s2)cc1 CCc1ccc(cc1)O[*:1] Cc1ccc(cc1F)-c1nnc2sc(nn12)NC(=O)C[*:1]
CCc1ccc(OCC(=O)Nc2nn3c(-c4ccc(C)c(F)c4)nnc3s2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1F)-c1nnc2sc(nn12)NC(=O)CO[*:1]
CCc1ccc(OCC(=O)Nc2nn3c(-c4ccc(C)c(F)c4)nnc3s2)cc1 Cc1ccc(cc1F)[*:1] CCc1ccc(cc1)OCC(=O)Nc1nn2c(nnc2s1)[*:1]
CC(C)c1ocnc1C[NH+]1CCC(OC2CCCCC2)CC1 CC(C)[*:1] c1nc(C[NH+]2CCC(CC2)OC2CCCCC2)c(o1)[*:1]
CC(C)c1ocnc1C[NH+]1CCC(OC2CCCCC2)CC1 C1CCC(CC1)O[*:1] CC(C)c1ocnc1C[NH+]1CCC(CC1)[*:1]
CC(C)c1ocnc1C[NH+]1CCC(OC2CCCCC2)CC1 C1CCC(CC1)[*:1] CC(C)c1ocnc1C[NH+]1CCC(CC1)O[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN1CCN(C)C(=O)C1(C)C c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN1CCN(C)C(=O)C1(C)C)[*:1]
CCc1noc(CN(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 CCc1noc(C[*:1])n1 C[C@@H]1C[C@@H](C)C[NH+](C1)C(C)(C)CNC(=O)N(C)[*:1]
CCc1noc(CN(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 CCc1noc(n1)[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C(C)(C)CNC(=O)N(C)C[*:1]
Cc1ccc2nnc(C(=O)NCc3ccco3)nc2c1 c1coc(c1)C[*:1] Cc1ccc2nnc(nc2c1)C(=O)N[*:1]
Cc1ccc2nnc(C(=O)NCc3ccco3)nc2c1 c1coc(c1)[*:1] Cc1ccc2nnc(nc2c1)C(=O)NC[*:1]
Nc1ccc(F)cc1OCCSc1ccccc1 c1ccc(cc1)[*:1] Nc1ccc(F)cc1OCCS[*:1]
O=S(=O)(Cc1cccc(Cl)c1)N1CCCc2ccccc21 Clc1cccc(c1)[*:1] O=S(=O)(C[*:1])N1CCCc2ccccc21
Cn1ccc2c(/C([O-])=N/S(=O)(=O)c3ccc(F)cc3)cccc21 Fc1ccc(cc1)[*:1] Cn1ccc2c(cccc21)/C([O-])=N/S(=O)(=O)[*:1]
CCOc1ccc2c(Nc3ccc(C(=O)OC)cc3)cc[nH+]c2c1 COC(=O)[*:1] CCOc1ccc2c(cc[nH+]c2c1)Nc1ccc(cc1)[*:1]
CCOc1ccc2c(Nc3ccc(C(=O)OC)cc3)cc[nH+]c2c1 CCO[*:1] COC(=O)c1ccc(cc1)Nc1cc[nH+]c2cc(ccc12)[*:1]
O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 O=C([O-])C[*:1] c1ccc(cc1)-c1nc(C[*:1])oc1-c1ccccc1
O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C([O-])CCc1nc(-c2ccccc2)c(o1)[*:1]
O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C([O-])CCc1nc(c(o1)-c1ccccc1)[*:1]
O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 O=C([O-])CC[*:1] c1ccc(cc1)-c1nc(oc1-c1ccccc1)[*:1]
O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 O=C([O-])[*:1] c1ccc(cc1)-c1nc(CC[*:1])oc1-c1ccccc1
Cc1cccc(CNC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)CNC(=O)CSc1nnc(o1)[*:1]
Cc1cccc(CNC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nnc(o1)-c1ccc(F)cc1)NC[*:1]
Cc1cccc(CNC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1 Cc1cccc(c1)C[*:1] O=C(CSc1nnc(o1)-c1ccc(F)cc1)N[*:1]
C=CCCC[C@H](C)[NH+]1CCN(C(=O)Cc2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] C=CCCC[C@H](C)[NH+]1CCN(CC1)C(=O)C[*:1]
C=CCCC[C@H](C)[NH+]1CCN(C(=O)Cc2c(C)noc2C)CC1 C=CC[*:1] Cc1noc(C)c1CC(=O)N1CC[NH+](CC1)[C@@H](C)CC[*:1]
C=CCCC[C@H](C)[NH+]1CCN(C(=O)Cc2c(C)noc2C)CC1 C=CCC[*:1] Cc1noc(C)c1CC(=O)N1CC[NH+](CC1)[C@@H](C)C[*:1]
C=CCCC[C@H](C)[NH+]1CCN(C(=O)Cc2c(C)noc2C)CC1 C=CCCC[*:1] Cc1noc(C)c1CC(=O)N1CC[NH+](CC1)[C@@H](C)[*:1]
CC(C)[NH+]1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)CC1 C1CN(CCO1)[*:1] CC(C)[NH+]1CCC(CC1)C(=O)Nc1ccc(cc1C(N)=O)[*:1]
CC(C)[NH+]1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)CC1 CC(C)[*:1] NC(=O)c1cc(ccc1NC(=O)C1CC[NH+](CC1)[*:1])N1CCOCC1
CC(C)[NH+]1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)CC1 NC(=O)[*:1] CC(C)[NH+]1CCC(CC1)C(=O)Nc1ccc(cc1[*:1])N1CCOCC1
O=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccccc1F)C1CC1 C1CC1[*:1] O=C(Cn1nnc(n1)-c1ccccc1)N(Cc1ccccc1F)[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccccc1F)C1CC1 Fc1ccccc1C[*:1] O=C(Cn1nnc(n1)-c1ccccc1)N(C1CC1)[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccccc1F)C1CC1 Fc1ccccc1[*:1] O=C(Cn1nnc(n1)-c1ccccc1)N(C[*:1])C1CC1
O=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccccc1F)C1CC1 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])N(Cc1ccccc1F)C1CC1
CCc1nn(CC(=O)NCCCn2ccnc2)c(=O)c2cc3sc(C)cc3n12 c1cn(cn1)CC[*:1] CCc1nn(CC(=O)NC[*:1])c(=O)c2cc3sc(C)cc3n12
CCc1nn(CC(=O)NCCCn2ccnc2)c(=O)c2cc3sc(C)cc3n12 c1cn(cn1)[*:1] CCc1nn(CC(=O)NCCC[*:1])c(=O)c2cc3sc(C)cc3n12
CCc1nn(CC(=O)NCCCn2ccnc2)c(=O)c2cc3sc(C)cc3n12 c1cn(cn1)C[*:1] CCc1nn(CC(=O)NCC[*:1])c(=O)c2cc3sc(C)cc3n12
CCc1nn(CC(=O)NCCCn2ccnc2)c(=O)c2cc3sc(C)cc3n12 c1cn(cn1)CCC[*:1] CCc1nn(CC(=O)N[*:1])c(=O)c2cc3sc(C)cc3n12
CC[NH2+][C@@H](c1ccn(Cc2ccncc2Cl)c1)C(C)C CC(C)[*:1] CC[NH2+][C@@H](c1ccn(c1)Cc1ccncc1Cl)[*:1]
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)CCCC2=N1 Clc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CSC1N=C2CCCC(=O)[C@@H]2[C@H](C=1C#N)[*:1]
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)CCCC2=N1 Cc1cccc(C)c1NC(=O)[*:1] N#CC1=C(N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc(Cl)cc1)SC[*:1]
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)CCCC2=N1 Cc1cccc(C)c1[*:1] N#CC1=C(N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc(Cl)cc1)SCC(=O)N[*:1]
C[C@@H](c1cccs1)N(C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 C[C@@H](c1cccs1)[*:1] CN(C(=O)[C@H]1CC(=O)N(C1)c1ccccc1Br)[*:1]
C[C@@H](c1cccs1)N(C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 Brc1ccccc1[*:1] C[C@@H](c1cccs1)N(C)C(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H](c1cccs1)N(C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 c1csc(c1)[*:1] C[C@@H](N(C)C(=O)[C@H]1CC(=O)N(C1)c1ccccc1Br)[*:1]
CC(C)COc1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cn1 CC(C)C[*:1] NC(=O)C1(CCOCC1)CNC(=O)c1ccc(nc1)O[*:1]
CC(C)COc1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cn1 CC(C)[*:1] NC(=O)C1(CCOCC1)CNC(=O)c1ccc(nc1)OC[*:1]
CC(C)COc1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cn1 NC(=O)[*:1] CC(C)COc1ccc(cn1)C(=O)NCC1(CCOCC1)[*:1]
CC(C)COc1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cn1 CC(C)CO[*:1] NC(=O)C1(CCOCC1)CNC(=O)c1ccc(nc1)[*:1]
C[C@H](Sc1ccccc1Cl)C(=O)Nc1nccs1 c1csc(n1)[*:1] C[C@H](Sc1ccccc1Cl)C(=O)N[*:1]
ClCCc1ccc(Nc2ccncc2Cl)cc1 ClCC[*:1] Clc1cnccc1Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](NC(=O)c1cc(nc2c1cnn2Cc1ccco1)-c1cccnc1)[*:1]
C[C@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1ccc2c(c1)OCO2 c1cncc(c1)[*:1] C[C@H](NC(=O)c1cc(nc2c1cnn2Cc1ccco1)[*:1])c1ccc2OCOc2c1
C[C@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1ccc2c(c1)OCO2 c1coc(c1)C[*:1] C[C@H](NC(=O)c1cc(nc2c1cnn2[*:1])-c1cccnc1)c1ccc2OCOc2c1
C[C@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1ccc2c(c1)OCO2 c1coc(c1)[*:1] C[C@H](NC(=O)c1cc(nc2c1cnn2C[*:1])-c1cccnc1)c1ccc2OCOc2c1
CN(Cc1nc[nH]n1)C(=O)c1cn(C2C[NH2+]C2)nn1 c1nc(n[nH]1)[*:1] CN(C[*:1])C(=O)c1cn(nn1)C1C[NH2+]C1
CN(Cc1nc[nH]n1)C(=O)c1cn(C2C[NH2+]C2)nn1 c1nc(C[*:1])n[nH]1 CN(C(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
CC(=O)C1=C([O-])C(=O)N(CCN2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)C1=C([O-])C(=O)N(CCN2CC[NH2+]CC2)[C@@H]1[*:1]
CC(=O)C1=C([O-])C(=O)N(CCN2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 CC(=O)[*:1] O=C1C([O-])=C([C@H](c2ccc(Cl)cc2)N1CCN1CC[NH2+]CC1)[*:1]
CC(=O)N1c2ccccc2N(C(C)=O)[C@H]2C=C([N+](=O)[O-])C=C[C@@H]21 O=[N+]([O-])[*:1] CC(=O)N1c2ccccc2N(C(C)=O)[C@H]2C=C(C=C[C@@H]21)[*:1]
CC[C@H](CCO)C[NH2+][C@@H](C)c1cc(C)sc1C OCC[*:1] CC[C@H](C[NH2+][C@@H](C)c1cc(C)sc1C)[*:1]
CC(C)c1nncn1CCNC(=O)[C@@H](C)c1cccs1 c1csc(c1)[*:1] CC(C)c1nncn1CCNC(=O)[C@@H](C)[*:1]
CC(C)c1nncn1CCNC(=O)[C@@H](C)c1cccs1 CC(C)[*:1] C[C@H](C(=O)NCCn1cnnc1[*:1])c1cccs1
CCOC(=O)C1CCN(C(=O)CC[C@@H](C)O)CC1 C[C@@H](O)C[*:1] CCOC(=O)C1CCN(CC1)C(=O)C[*:1]
CCOC(=O)C1CCN(C(=O)CC[C@@H](C)O)CC1 C[C@@H](O)[*:1] CCOC(=O)C1CCN(CC1)C(=O)CC[*:1]
CCOC(=O)C1CCN(C(=O)CC[C@@H](C)O)CC1 C[C@@H](O)CC[*:1] CCOC(=O)C1CCN(CC1)C(=O)[*:1]
CCOC(=O)C1CCN(C(=O)CC[C@@H](C)O)CC1 CCOC(=O)[*:1] C[C@@H](O)CCC(=O)N1CCC(CC1)[*:1]
CC[C@@H]1CCCCN1C(=O)CN1CCN(c2ccccc2OC)C1=O COc1ccccc1[*:1] CC[C@@H]1CCCCN1C(=O)CN1CCN(C1=O)[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1C(=O)[O-])c1ccon1 FC(F)(F)[*:1] O=C(Nc1cc(ccc1C(=O)[O-])[*:1])c1ccon1
O=C(Nc1cc(C(F)(F)F)ccc1C(=O)[O-])c1ccon1 c1cc(no1)[*:1] O=C([O-])c1ccc(cc1NC(=O)[*:1])C(F)(F)F
O=C(Nc1cc(C(F)(F)F)ccc1C(=O)[O-])c1ccon1 O=C([O-])[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)c1ccon1
O=C(CCc1cccnc1)Nc1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] O=C(CCc1cccnc1)Nc1cccc(F)c1[*:1]
O=C(CCc1cccnc1)Nc1cccc(F)c1C(=O)[O-] c1cncc(c1)[*:1] O=C(CC[*:1])Nc1cccc(F)c1C(=O)[O-]
O=C(CCc1cccnc1)Nc1cccc(F)c1C(=O)[O-] c1cncc(c1)C[*:1] O=C(C[*:1])Nc1cccc(F)c1C(=O)[O-]
Cc1cc(O)c(C(C)C)cc1NC(=O)COc1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1cc(O)c(cc1NC(=O)COc1ccc(cc1)[*:1])C(C)C
Cc1cc(O)c(C(C)C)cc1NC(=O)COc1ccc(C(N)=O)cc1 CC(C)[*:1] Cc1cc(O)c(cc1NC(=O)COc1ccc(cc1)C(N)=O)[*:1]
C[C@H]1COCCN1C(=O)[C@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] C[C@H]1COCCN1C(=O)[C@H]1CCCN1C(=O)[*:1]
C[C@H](NC(=O)N1[C@H](C)CCC[C@H]1C)c1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)N1[C@H](C)CCC[C@H]1C)c1noc(n1)[*:1]
Cc1nc(C)c(C(=O)Nc2cn(C)nc2-c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)Nc1cn(C)nc1[*:1]
Cc1nc(C)c(C(=O)Nc2cn(C)nc2-c2ccccc2)o1 Cc1nc(C)c(o1)[*:1] Cn1cc(NC(=O)[*:1])c(n1)-c1ccccc1
Cc1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1N C1CCC(CC1)[*:1] Cc1ccc(cc1N)S(=O)(=O)/N=C(\O)N[*:1]
CSc1ccc(NC(=O)N(C[C@@H](C)O)C(C)C)cc1Cl C[C@@H](O)C[*:1] CSc1ccc(cc1Cl)NC(=O)N(C(C)C)[*:1]
CSc1ccc(NC(=O)N(C[C@@H](C)O)C(C)C)cc1Cl CC(C)[*:1] CSc1ccc(cc1Cl)NC(=O)N(C[C@@H](C)O)[*:1]
CSc1ccc(NC(=O)N(C[C@@H](C)O)C(C)C)cc1Cl C[C@@H](O)[*:1] CSc1ccc(cc1Cl)NC(=O)N(C[*:1])C(C)C
COc1ccccc1CNC(=O)[C@H](C)Sc1ccsc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1CNC(=O)[C@H](C)Sc1ccsc1[*:1]
Cc1ncccc1NC(=O)NC1(CC(=O)[O-])CCCCC1 O=C([O-])C[*:1] Cc1ncccc1NC(=O)NC1(CCCCC1)[*:1]
Cc1ncccc1NC(=O)NC1(CC(=O)[O-])CCCCC1 Cc1ncccc1[*:1] O=C([O-])CC1(CCCCC1)NC(=O)N[*:1]
Cc1ncccc1NC(=O)NC1(CC(=O)[O-])CCCCC1 O=C([O-])[*:1] Cc1ncccc1NC(=O)NC1(CCCCC1)C[*:1]
Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 Cc1nccn1[*:1] C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(cc1)[*:1]
CCCn1c(N)c([C@@H](c2ccc(OC)cc2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CCCn1c(N)c(c(=O)[nH]c1=O)[C@@H](c1ccc(cc1)OC)N1CCN(CC1)[*:1]
CCCn1c(N)c([C@@H](c2ccc(OC)cc2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O COc1ccc(cc1)[*:1] CCCn1c(N)c(c(=O)[nH]c1=O)[C@@H](N1CCN(CC1)c1ccccc1)[*:1]
CCCn1c(N)c([C@@H](c2ccc(OC)cc2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O CCC[*:1] COc1ccc(cc1)[C@H](c1c(N)n(c(=O)[nH]c1=O)[*:1])N1CCN(CC1)c1ccccc1
CC(=O)Nc1ccc(Cl)cc1NCc1noc(-c2ccsc2)n1 CC(=O)N[*:1] Clc1ccc(c(c1)NCc1noc(n1)-c1ccsc1)[*:1]
CC(=O)Nc1ccc(Cl)cc1NCc1noc(-c2ccsc2)n1 c1cc(cs1)[*:1] CC(=O)Nc1ccc(Cl)cc1NCc1noc(n1)[*:1]
C[C@H]1[C@H](c2ccccc2)CCN1Cc1cnc2ncccn12 c1ccc(cc1)[*:1] C[C@H]1[C@H](CCN1Cc1cnc2ncccn12)[*:1]
COc1ccc(C[C@@H](C)CNC(=O)[C@H]2CCCN(C(N)=O)C2)cc1 COc1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@H]1CCCN(C1)C(N)=O)C[*:1]
O=C(Nc1cccnc1N1CCSCC1)[C@H]1C[C@H]1[N+](=O)[O-] C1CN(CCS1)[*:1] O=C(Nc1cccnc1[*:1])[C@H]1C[C@H]1[N+](=O)[O-]
O=C(Nc1cccnc1N1CCSCC1)[C@H]1C[C@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1cccnc1N1CCSCC1)[C@H]1C[C@@H]1[*:1]
CC(C)C[NH+]1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 CC(C)[*:1] Nc1c(C(=O)CN2CC[NH+](CC2)C[*:1])c(=O)[nH]c(=O)n1C1CC1
CC(C)C[NH+]1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 C1CC1[*:1] CC(C)C[NH+]1CCN(CC1)CC(=O)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CC(C)C[NH+]1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 CC(C)C[*:1] Nc1c(C(=O)CN2CC[NH+](CC2)[*:1])c(=O)[nH]c(=O)n1C1CC1
O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 FC(F)(F)[*:1] O=C(C1=C([O-])C(=O)N(c2cccc(c2)[*:1])[C@@H]1c1cccc(c1)[N+](=O)[O-])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 FC(F)(F)c1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1cccc(c1)[N+](=O)[O-])[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 O=[N+]([O-])[*:1] O=C(C1=C([O-])C(=O)N(c2cccc(c2)C(F)(F)F)[C@@H]1c1cccc(c1)[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccc(c2)[N+](=O)[O-])N1c1cccc(c1)C(F)(F)F
O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@@H](c2cccc(c2)[N+](=O)[O-])N1c1cccc(c1)C(F)(F)F)[*:1]
O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(c2cccc(c2)C(F)(F)F)[C@H]1[*:1])c1ccccc1
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1nccs1 c1csc(n1)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1nccs1 CC[S@@](=O)[*:1] O=C(Nc1nccs1)N[C@H]1CCCC[C@@H]1[*:1]
CCCC(=O)NCc1c(F)cccc1OC(F)F FC(F)[*:1] CCCC(=O)NCc1c(F)cccc1O[*:1]
CCCC(=O)NCc1c(F)cccc1OC(F)F CCC[*:1] O=C(NCc1c(F)cccc1OC(F)F)[*:1]
CCCC(=O)NCc1c(F)cccc1OC(F)F CCCC(=O)N[*:1] Fc1cccc(OC(F)F)c1C[*:1]
CCCC(=O)NCc1c(F)cccc1OC(F)F FC(F)O[*:1] CCCC(=O)NCc1c(F)cccc1[*:1]
O=C1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 Fc1ccc(cc1Cl)[*:1] O=C1C[C@H](C(=O)N[*:1])c2c(nc(Nc3ccccc3)[nH]c2=O)N1
O=C1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)c2c(nc(N[*:1])[nH]c2=O)N1
O=C1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 c1ccc(cc1)N[*:1] O=C1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)c2c(nc([nH]c2=O)[*:1])N1
O=C(C=C1CCSCC1)NCc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 O=C(C=C1CCSCC1)NCc1ccc(cc1)[*:1]
O=C(C=C1CCSCC1)NCc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] O=C(C=C1CCSCC1)NCc1ccc(cc1)C[*:1]
CCNC(=O)Cn1c(-c2cccs2)noc1=O CCNC(=O)[*:1] O=c1onc(-c2cccs2)n1C[*:1]
CCNC(=O)Cn1c(-c2cccs2)noc1=O c1csc(c1)[*:1] CCNC(=O)Cn1c(noc1=O)[*:1]
CCOc1ccccc1-c1nnc(SCc2cc(=O)c(O)co2)o1 CCO[*:1] O=c1cc(CSc2nnc(o2)-c2ccccc2[*:1])occ1O
CCOc1ccccc1-c1nnc(SCc2cc(=O)c(O)co2)o1 O=c1cc(occ1O)[*:1] CCOc1ccccc1-c1nnc(o1)SC[*:1]
CCCn1cc(NC(=O)Nc2c(C)cccc2OC(F)F)cn1 CCC[*:1] Cc1cccc(OC(F)F)c1NC(=O)Nc1cnn(c1)[*:1]
CCCn1cc(NC(=O)Nc2c(C)cccc2OC(F)F)cn1 FC(F)O[*:1] CCCn1cc(cn1)NC(=O)Nc1c(C)cccc1[*:1]
CCCn1cc(NC(=O)Nc2c(C)cccc2OC(F)F)cn1 FC(F)[*:1] CCCn1cc(cn1)NC(=O)Nc1c(C)cccc1O[*:1]
N#Cc1ccccc1OCC(=O)c1ccc(-c2ccccc2)cc1 N#Cc1ccccc1[*:1] O=C(CO[*:1])c1ccc(cc1)-c1ccccc1
N#Cc1ccccc1OCC(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccccc1OCC(=O)c1ccc(cc1)[*:1]
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2CN2CCO[C@H](C#N)C2)c1 Cc1cccc(c1)[*:1] N#C[C@@H]1CN(CCO1)Cc1cn(nc1[*:1])-c1ccc(F)cc1
Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2CN2CCO[C@H](C#N)C2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)-c1nn(cc1CN1CCO[C@H](C#N)C1)[*:1]
CC(C)COC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 c1ccc(cc1)[*:1] CC(C)COC1CCN(CC1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CC(C)COC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 CC(C)CO[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC(CC1)[*:1])c1ccccc1
CC(C)COC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 CC(C)C[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC(CC1)O[*:1])c1ccccc1
CC(C)COC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 CC(C)[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC(CC1)OC[*:1])c1ccccc1
CC(C)(C)CC(C)(C)NC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 CC(C)(C)C[*:1] CC(C)(NC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
CC(C)(C)CC(C)(C)NC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 CC(C)(C)[*:1] CC(C)(C[*:1])NC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2
C[C@H](NC(=O)CNC(=O)c1ccsc1)c1cc2cc(Cl)ccc2o1 O=C(N[*:1])c1ccsc1 C[C@H](NC(=O)C[*:1])c1cc2cc(Cl)ccc2o1
C[C@H](NC(=O)CNC(=O)c1ccsc1)c1cc2cc(Cl)ccc2o1 c1cc(cs1)[*:1] C[C@H](NC(=O)CNC(=O)[*:1])c1cc2cc(Cl)ccc2o1
COc1ccc(CNC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)c1ccccc1-c1nc(no1)[*:1]
COc1ccc(CNC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccccc1-c1nc(no1)-c1ccc(F)cc1
COc1ccc(CNC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccccc1-c1nc(no1)-c1ccc(F)cc1
Cc1nnc(SCCn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1 Cc1nnc(s1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CCS[*:1]
Cc1nnc(SCCn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1 Cc1nnc(SCC[*:1])s1 Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2[*:1]
Cc1nnc(SCCn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1 C1CCCN(CC1)[*:1] Cc1nnc(SCCn2c(nc3c2c(=O)[nH]c(=O)n3C)[*:1])s1
Cc1nnc(SCCn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1 Cc1nnc(SC[*:1])s1 Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2C[*:1]
Cc1nnc(SCCn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1 Cc1nnc(S[*:1])s1 Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CC[*:1]
Cc1cc2n(n1)CCN(Cc1ncccc1C(=O)[O-])C2 O=C([O-])[*:1] Cc1cc2CN(CCn2n1)Cc1ncccc1[*:1]
CCOc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1 CCO[*:1] O=C1N[C@@H](Oc2ccccc21)c1ccc(cc1)[*:1]
C=C(Cl)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 C=C(Cl)CS[*:1] Cc1ccc(nc1)-n1c(nc2ccccc2c1=O)[*:1]
C=C(Cl)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 C=C(Cl)C[*:1] Cc1ccc(nc1)-n1c(nc2ccccc2c1=O)S[*:1]
C=C(Cl)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 C=C(Cl)[*:1] Cc1ccc(nc1)-n1c(nc2ccccc2c1=O)SC[*:1]
C=C(Cl)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 Cc1ccc(nc1)[*:1] C=C(Cl)CSc1nc2ccccc2c(=O)n1[*:1]
C[C@@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)Cn1ccc2ccccc21 c1ccc2c(c1)ccn2[*:1] C[C@@H]1CN(C(=O)CN1C(=O)C[*:1])c1ccccc1Cl
C[C@@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)Cn1ccc2ccccc21 Clc1ccccc1[*:1] C[C@@H]1CN(C(=O)CN1C(=O)Cn1ccc2ccccc21)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)N(C)C)c2)c1 CN(C)C(=O)[*:1] COc1ccc(c(c1)C(=O)Nc1cccc(c1)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)N(C)C)c2)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)Nc1cccc(c1)C(=O)N(C)C)[*:1]
COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)CCn2cccn2)[C@H]3C1=O c1cnn(c1)C[*:1] COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)C[*:1])[C@H]3C1=O
COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)CCn2cccn2)[C@H]3C1=O c1cnn(c1)CC[*:1] COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)[*:1])[C@H]3C1=O
COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)CCn2cccn2)[C@H]3C1=O COCC[*:1] CN(CCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2
COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)CCn2cccn2)[C@H]3C1=O c1cnn(c1)[*:1] COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)CC[*:1])[C@H]3C1=O
COCCN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)CCn2cccn2)[C@H]3C1=O COC[*:1] CN(CCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@H]13)O2
C[C@@H](NC(=O)Nc1nnc(C2CC2)s1)c1ccc(F)cc1Cl C1CC1[*:1] C[C@@H](NC(=O)Nc1nnc(s1)[*:1])c1ccc(F)cc1Cl
COc1ccc([C@H](C#N)N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCN(CC1)[C@@H](C#N)[*:1]
COc1ccc([C@H](C#N)N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)cc1 Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1)[C@H](C#N)N1CCN(CC1)C(=O)[*:1]
CC(C)CCNC(=O)C[C@H]1SC(N2CCCCC2)=NC1=O CC(C)[*:1] O=C(C[C@H]1SC(=NC1=O)N1CCCCC1)NCC[*:1]
CC(C)CCNC(=O)C[C@H]1SC(N2CCCCC2)=NC1=O CC(C)C[*:1] O=C(C[C@H]1SC(=NC1=O)N1CCCCC1)NC[*:1]
CC(C)CCNC(=O)C[C@H]1SC(N2CCCCC2)=NC1=O CC(C)CC[*:1] O=C(C[C@H]1SC(=NC1=O)N1CCCCC1)N[*:1]
CCCN(C/C=C/c1ccccc1)C(=O)Cc1nc(C)sc1C Cc1nc(c(C)s1)[*:1] CCCN(C/C=C/c1ccccc1)C(=O)C[*:1]
CCCN(C/C=C/c1ccccc1)C(=O)Cc1nc(C)sc1C c1ccc(cc1)[*:1] CCCN(CC=C[*:1])C(=O)Cc1nc(C)sc1C
CCCN(C/C=C/c1ccccc1)C(=O)Cc1nc(C)sc1C CCC[*:1] Cc1nc(CC(=O)N(C/C=C/c2ccccc2)[*:1])c(C)s1
Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 Cc1csc(n1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 CC(C)(C)[*:1] Cc1csc(n1)NC(=O)[C@@H]1CCCN(C1)C(=O)O[*:1]
CCC(CC)N(C)C(=O)c1cc(C)c(C#CCO)s1 CCC(CC)[*:1] Cc1cc(sc1C#CCO)C(=O)N(C)[*:1]
CCC(CC)N(C)C(=O)c1cc(C)c(C#CCO)s1 OCC#C[*:1] CCC(CC)N(C)C(=O)c1cc(C)c(s1)[*:1]
CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1Cl CCC[*:1] O=S1(=O)CC[C@@H](C1)N(S(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
O=C(c1cc(Br)ccc1F)N1CCC(c2cc3ccccc3[nH]2)CC1 Fc1ccc(Br)cc1[*:1] O=C(N1CCC(CC1)c1cc2ccccc2[nH]1)[*:1]
COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)cc3)sc2C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(NC(=O)CCC(=O)[*:1])sc1C
COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)cc3)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)CCC(=O)Nc1nc(c(C)s1)[*:1]
COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)cc3)sc2C)cc1 Cc1ccc(cc1)C(=O)[*:1] COc1ccc(cc1)-c1nc(NC(=O)CC[*:1])sc1C
COC(=O)c1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1 COC(=O)[*:1] CN(C(=O)c1ccc(cc1)[*:1])[C@@H]1CCc2ccccc2C1
CNC(=O)C1CCN(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)CC1 CNC(=O)[*:1] CC(C)n1nc(cc1NC(=O)N1CCC(CC1)[*:1])-c1ccccc1
CNC(=O)C1CCN(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)CC1 c1ccc(cc1)[*:1] CNC(=O)C1CCN(CC1)C(=O)Nc1cc(nn1C(C)C)[*:1]
CNC(=O)C1CCN(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)CC1 CC(C)[*:1] CNC(=O)C1CCN(CC1)C(=O)Nc1cc(nn1[*:1])-c1ccccc1
Cc1sc(-c2cnccn2)nc1-c1cccc(Cl)c1 c1cnc(cn1)[*:1] Cc1sc(nc1-c1cccc(Cl)c1)[*:1]
NC(=O)N1CCC[C@H]1COC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] NC(=O)N1CCC[C@H]1COC(=O)c1ccc(cc1)[*:1]
CCCN(C[C@@H]1CCCCO1)C(=O)NCc1cccc(NC(=O)N(C)C)c1 CCC[*:1] CN(C)C(=O)Nc1cccc(c1)CNC(=O)N(C[C@@H]1CCCCO1)[*:1]
CCCN(C[C@@H]1CCCCO1)C(=O)NCc1cccc(NC(=O)N(C)C)c1 CN(C)C(=O)N[*:1] CCCN(C[C@@H]1CCCCO1)C(=O)NCc1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](C)c3cccc(F)c3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H]([NH2+]CC(=O)N1CCN(CC1)S(=O)(=O)[*:1])c1cccc(F)c1
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](C)c3cccc(F)c3)CC2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C[NH2+][C@@H](C)[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(C)s1 Cc1ccc(s1)[*:1] COc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]1[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CNC(=O)[C@H](C)CN(C)C(=O)c1cc(ccc1Cl)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cc(N2CCCC2=O)ccc1Cl CNC(=O)[*:1] C[C@H](CN(C)C(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
CC(C)CC(C)(C)CNC(=O)c1cccc(-n2cnnn2)c1 CC(C)CC(C)(C)[*:1] O=C(NC[*:1])c1cccc(c1)-n1cnnn1
CC(C)CC(C)(C)CNC(=O)c1cccc(-n2cnnn2)c1 CC(C)[*:1] CC(C)(CNC(=O)c1cccc(c1)-n1cnnn1)C[*:1]
CC(C)CC(C)(C)CNC(=O)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] CC(C)CC(C)(C)CNC(=O)c1cccc(c1)[*:1]
CC(C)CC(C)(C)CNC(=O)c1cccc(-n2cnnn2)c1 CC(C)C[*:1] CC(C)(CNC(=O)c1cccc(c1)-n1cnnn1)[*:1]
CNS(=O)(=O)Cc1ccccc1CNC(=O)c1c(-c2ccccc2)noc1C c1ccc(cc1)[*:1] CNS(=O)(=O)Cc1ccccc1CNC(=O)c1c(noc1C)[*:1]
CNS(=O)(=O)Cc1ccccc1CNC(=O)c1c(-c2ccccc2)noc1C CNS(=O)(=O)C[*:1] Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1[*:1]
CNS(=O)(=O)Cc1ccccc1CNC(=O)c1c(-c2ccccc2)noc1C CNS(=O)(=O)[*:1] Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1C[*:1]
CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CC(C)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCN(C(C)(C)/C(N)=N/O)CC1 N/C(=N\O)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCN(CC1)C(C)(C)[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCN(C(C)(C)/C(N)=N/O)CC1 CC(C)(/C(N)=N/O)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCN(CC1)[*:1]
CCN(CC)C(=O)Nc1ccc(N)c(C(F)(F)F)c1 FC(F)(F)[*:1] CCN(CC)C(=O)Nc1ccc(N)c(c1)[*:1]
Cc1ncccc1NC(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] Cc1ncccc1NC(=O)[C@](C)(N)[*:1]
CCSc1nnc(S[C@H](C)C(=O)N(C)Cc2ccccc2C)s1 CCS[*:1] Cc1ccccc1CN(C)C(=O)[C@@H](C)Sc1nnc(s1)[*:1]
CCSc1nnc(S[C@H](C)C(=O)N(C)Cc2ccccc2C)s1 Cc1ccccc1[*:1] CCSc1nnc(S[C@H](C)C(=O)N(C)C[*:1])s1
O=C(CC1CCC1)Nc1c(F)cc(F)cc1-c1ccccc1 C1CC(C1)C[*:1] O=C(Nc1c(F)cc(F)cc1-c1ccccc1)[*:1]
O=C(CC1CCC1)Nc1c(F)cc(F)cc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(CC1CCC1)Nc1c(F)cc(F)cc1[*:1]
O=C(CC1CCC1)Nc1c(F)cc(F)cc1-c1ccccc1 C1CC(C1)[*:1] O=C(C[*:1])Nc1c(F)cc(F)cc1-c1ccccc1
Cc1sc(NC(=O)c2ccco2)c(C#N)c1C c1coc(c1)[*:1] Cc1sc(NC(=O)[*:1])c(C#N)c1C
Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C(=O)[O-])sc1Br O=C([O-])[*:1] Cc1cc(sc1Br)C(=O)N1CC[NH2+]C[C@@H]1[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(F)cc1Cl Clc1ccccc1C[*:1] Cc1nn(c(C)c1C(=O)Nc1ccc(F)cc1Cl)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(F)cc1Cl Clc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1C(=O)Nc1ccc(F)cc1Cl
Cc1ncccc1NC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] Cc1ncccc1NC(=O)N[C@H]1CCCC[C@H]1O[*:1]
Cc1ncccc1NC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] Cc1ncccc1NC(=O)N[C@H]1CCCC[C@@H]1[*:1]
Cc1ncccc1NC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 Cc1ncccc1[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)N[*:1]
COc1ccc(-n2nc(C(=O)NCc3ccc(C(N)=O)o3)cc2C)cc1 NC(=O)[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)NCc1ccc(o1)[*:1]
COc1ccc(-n2nc(C(=O)NCc3ccc(C(N)=O)o3)cc2C)cc1 NC(=O)c1ccc(o1)[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)NC[*:1]
COc1ccc(-n2nc(C(=O)NCc3ccc(C(N)=O)o3)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)NCc1ccc(o1)C(N)=O
Nc1c(N2CCCC2)ncnc1N1CCC(C(=O)[O-])CC1 C1CCN(C1)[*:1] Nc1c(ncnc1[*:1])N1CCC(CC1)C(=O)[O-]
Nc1c(N2CCCC2)ncnc1N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] Nc1c(ncnc1N1CCC(CC1)[*:1])N1CCCC1
CCOC(=O)c1c(C)nsc1N[C@@]1(C)CCS(=O)(=O)C1 CCOC(=O)[*:1] Cc1nsc(N[C@@]2(C)CCS(=O)(=O)C2)c1[*:1]
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)c(OC)c2)NC3=O)cc1 CCO[*:1] COc1ccc(cc1OC)[C@@H]1NC(=O)c2[nH]nc(-c3ccc(cc3)[*:1])c21
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)c(OC)c2)NC3=O)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1NC(=O)c2[nH]nc(c21)[*:1]
C[C@@H]1CCN(C(=O)c2c(-n3cccc3)sc3c2CCC3)C[C@H]1O c1ccn(c1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1c(sc2CCCc21)[*:1]
COC(=O)c1ccc(COCC[C@@H]2CCCC[NH2+]2)cc1 COC(=O)[*:1] c1cc(ccc1COCC[C@@H]1CCCC[NH2+]1)[*:1]
Cc1ccc2nc3c(cc2c1)c(NC(=O)c1cccc([N+](=O)[O-])c1)nn3CC(C)C CC(C)C[*:1] Cc1ccc2nc3c(cc2c1)c(nn3[*:1])NC(=O)c1cccc(c1)[N+](=O)[O-]
Cc1ccc2nc3c(cc2c1)c(NC(=O)c1cccc([N+](=O)[O-])c1)nn3CC(C)C CC(C)[*:1] Cc1ccc2nc3c(cc2c1)c(nn3C[*:1])NC(=O)c1cccc(c1)[N+](=O)[O-]
Cc1ccc2nc3c(cc2c1)c(NC(=O)c1cccc([N+](=O)[O-])c1)nn3CC(C)C O=[N+]([O-])[*:1] Cc1ccc2nc3c(cc2c1)c(nn3CC(C)C)NC(=O)c1cccc(c1)[*:1]
Cc1ccc2nc3c(cc2c1)c(NC(=O)c1cccc([N+](=O)[O-])c1)nn3CC(C)C O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc2nc3c(cc2c1)c(nn3CC(C)C)NC(=O)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)c3cnc(CC)s3)ccc21 CCC[*:1] CCc1ncc(s1)C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NC(=O)c3cnc(CC)s3)ccc21 CCc1ncc(s1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)[*:1]
CCCOc1nc(Sc2ccc(F)cc2F)ccc1N CCCO[*:1] Nc1ccc(nc1[*:1])Sc1ccc(F)cc1F
CCCOc1nc(Sc2ccc(F)cc2F)ccc1N CCC[*:1] Nc1ccc(nc1O[*:1])Sc1ccc(F)cc1F
Cc1ccc([S@](=O)Cc2nc(-c3ccco3)no2)nc1 c1coc(c1)[*:1] Cc1ccc(nc1)[S@](=O)Cc1nc(no1)[*:1]
C[C@@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)CCO1 C1CCC(CC1)[*:1] C[C@@H]1CN(CCO1)C(=O)Nc1ccc(C(=O)N(C)[*:1])c(Cl)c1
CCN(CC(=O)N(C)C)c1ncc(N)cc1Br CN(C)C(=O)[*:1] CCN(C[*:1])c1ncc(N)cc1Br
CC1(C)CCC[C@H](CN2CCSC[C@@H]2S(C)(=O)=O)C1=O CS(=O)(=O)[*:1] CC1(C)CCC[C@H](CN2CCSC[C@H]2[*:1])C1=O
CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCOc3cc4c(cc32)OCO4)cs1 CC(C)c1nc(cs1)[*:1] C[C@@H]([NH2+][C@@H]1CCOc2cc3OCOc3cc21)[*:1]
CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCOc3cc4c(cc32)OCO4)cs1 CC(C)[*:1] C[C@@H]([NH2+][C@@H]1CCOc2cc3OCOc3cc21)c1csc(n1)[*:1]
O=C(NCc1csc(C2CC2)n1)N1CCC[C@H]1c1ccccc1Cl c1sc(nc1[*:1])C1CC1 O=C(NC[*:1])N1CCC[C@H]1c1ccccc1Cl
O=C(NCc1csc(C2CC2)n1)N1CCC[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCc1csc(n1)C1CC1)N1CCC[C@@H]1[*:1]
O=C(NCc1csc(C2CC2)n1)N1CCC[C@H]1c1ccccc1Cl C1CC1[*:1] O=C(NCc1csc(n1)[*:1])N1CCC[C@H]1c1ccccc1Cl
Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c(N)c(c1)[*:1]
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1ccccn1 Clc1cccc(c1)[*:1] CC(C)[C@H](O[*:1])C(=O)[C@H](C#N)c1ccccn1
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)[*:1]
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[C@H](C#N)c1ccccn1 CC(C)[*:1] N#C[C@@H](C(=O)[C@@H](Oc1cccc(Cl)c1)[*:1])c1ccccn1
CCOc1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1Cl CCO[*:1] CC[NH+]1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
Cc1cc(-c2ccc(C(=O)[O-])nc2)c(F)cc1F O=C([O-])[*:1] Cc1cc(-c2ccc(nc2)[*:1])c(F)cc1F
CN(CCc1cccs1)S(=O)(=O)c1cccnc1NN c1csc(c1)C[*:1] CN(C[*:1])S(=O)(=O)c1cccnc1NN
CN(CCc1cccs1)S(=O)(=O)c1cccnc1NN c1csc(c1)[*:1] CN(CC[*:1])S(=O)(=O)c1cccnc1NN
O=C(Nc1ccc2c(c1)OCCO2)c1cccn(OCc2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)c1cccn(OC[*:1])c1=O
O=C(Nc1ccc2c(c1)OCCO2)c1cccn(OCc2ccccc2)c1=O c1ccc(cc1)C[*:1] O=C(Nc1ccc2OCCOc2c1)c1cccn(O[*:1])c1=O
CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 CCC[*:1] Cn1cc(C(=O)N2CCC[C@@H](C2)c2[nH+]ccn2C[*:1])c2ccccc21
CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 CCCC[*:1] Cn1cc(C(=O)N2CCC[C@@H](C2)c2[nH+]ccn2[*:1])c2ccccc21
O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=c1c2cc(nn2ccn1C[*:1])-c1ccc2OCOc2c1
O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1ccn2nc(cc2c1=O)-c1ccc2OCOc2c1)N[*:1]
O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)Nc1ccc(F)cc1 c1cc2OCOc2cc1[*:1] O=C(Cn1ccn2nc(cc2c1=O)[*:1])Nc1ccc(F)cc1
F/C=C/[C@H]1C=CC=CC1(F)F FC=C[*:1] FC1(F)C=CC=C[C@@H]1[*:1]
O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1cccs1 FC(F)(F)[*:1] O=C(NC[C@@H](O)COc1cccc(c1)[*:1])c1cccs1
O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1cccs1 c1csc(c1)[*:1] O=C(NC[C@@H](O)COc1cccc(c1)C(F)(F)F)[*:1]
COc1ccc([C@H](C[NH3+])S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](C[NH3+])S(=O)(=O)[*:1]
COc1cccc(CN2CCC[NH+](Cc3cccc(OC)c3)CC2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)C[NH+]1CCCN(CC1)C[*:1]
COc1cccc(CN2CCC[NH+](Cc3cccc(OC)c3)CC2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)CN1CCC[NH+](CC1)C[*:1]
CCc1nc(N[C@@H](C)CC)n2c(=O)[nH]nc2c1C CC[C@H](C)N[*:1] CCc1nc(n2c(=O)[nH]nc2c1C)[*:1]
CCc1nc(N[C@@H](C)CC)n2c(=O)[nH]nc2c1C CC[C@H](C)[*:1] CCc1nc(N[*:1])n2c(=O)[nH]nc2c1C
CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C/c3ccncc3)cc2)cc1 C(=C[*:1])c1ccncc1 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Oc1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C/c3ccncc3)cc2)cc1 CN(C)S(=O)(=O)[*:1] O=C(Oc1ccc(/C=C/c2ccncc2)cc1)c1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C/c3ccncc3)cc2)cc1 c1cc(ccn1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Oc1ccc(C=C[*:1])cc1
COc1ccc([C@H]2CC(c3c(-c4ccccc4)c4cc(C)ccc4[nH]c3=O)=NN2C(C)=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1CC(=NN1C(C)=O)c1c(c2cc(C)ccc2[nH]c1=O)[*:1]
COc1ccc([C@H]2CC(c3c(-c4ccccc4)c4cc(C)ccc4[nH]c3=O)=NN2C(C)=O)cc1OC COc1ccc(cc1OC)[*:1] CC(=O)N1N=C(C[C@@H]1[*:1])c1c(-c2ccccc2)c2cc(C)ccc2[nH]c1=O
COC(=O)c1nc(N2CCOCC2)sc1C(=O)c1ccco1 c1coc(c1)[*:1] COC(=O)c1nc(sc1C(=O)[*:1])N1CCOCC1
COC(=O)c1nc(N2CCOCC2)sc1C(=O)c1ccco1 C1CN(CCO1)[*:1] COC(=O)c1nc(sc1C(=O)c1ccco1)[*:1]
COC(=O)c1nc(N2CCOCC2)sc1C(=O)c1ccco1 O=C(c1ccco1)[*:1] COC(=O)c1nc(sc1[*:1])N1CCOCC1
COC(=O)c1nc(N2CCOCC2)sc1C(=O)c1ccco1 COC(=O)[*:1] O=C(c1ccco1)c1sc(nc1[*:1])N1CCOCC1
COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1Cl Clc1cnccc1[*:1] COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[*:1]
COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1Cl Fc1ccc(cc1)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)c1ccncc1Cl
COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1Cl COC(=O)[*:1] O=C(N[C@H](Cc1ccc(F)cc1)[*:1])c1ccncc1Cl
CC(=O)c1c(C)cc(C)c(CS(=O)(=O)CC(=O)NC2CC2)c1C CC(=O)[*:1] Cc1cc(C)c(c(C)c1CS(=O)(=O)CC(=O)NC1CC1)[*:1]
CC(=O)c1c(C)cc(C)c(CS(=O)(=O)CC(=O)NC2CC2)c1C O=C(C[*:1])NC1CC1 CC(=O)c1c(C)cc(C)c(CS(=O)(=O)[*:1])c1C
CC(=O)c1c(C)cc(C)c(CS(=O)(=O)CC(=O)NC2CC2)c1C C1CC1[*:1] CC(=O)c1c(C)cc(C)c(CS(=O)(=O)CC(=O)N[*:1])c1C
CC(=O)c1c(C)cc(C)c(CS(=O)(=O)CC(=O)NC2CC2)c1C O=C(NC1CC1)[*:1] CC(=O)c1c(C)cc(C)c(CS(=O)(=O)C[*:1])c1C
Cc1nc(C[n+]2c(C)n(-c3ccccc3)c3ccccc32)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)C[n+]1c(C)n(c2ccccc21)[*:1]
Cc1nc(C[n+]2c(C)n(-c3ccccc3)c3ccccc32)cs1 Cc1nc(cs1)[*:1] Cc1n(-c2ccccc2)c2ccccc2[n+]1C[*:1]
Cc1nc(C[n+]2c(C)n(-c3ccccc3)c3ccccc32)cs1 Cc1nc(cs1)C[*:1] Cc1n(-c2ccccc2)c2ccccc2[n+]1[*:1]
CC(=O)NC1CC[NH+](Cc2ccc(O)c([N+](=O)[O-])c2)CC1 CC(=O)N[*:1] O=[N+]([O-])c1cc(ccc1O)C[NH+]1CCC(CC1)[*:1]
CC(=O)NC1CC[NH+](Cc2ccc(O)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CC(=O)NC1CC[NH+](CC1)Cc1ccc(O)c(c1)[*:1]
CC(C)CCNC(=O)c1n[nH]c2cccc(Cl)c12 CC(C)C[*:1] O=C(NC[*:1])c1n[nH]c2cccc(Cl)c12
CC(C)CCNC(=O)c1n[nH]c2cccc(Cl)c12 CC(C)[*:1] O=C(NCC[*:1])c1n[nH]c2cccc(Cl)c12
CC(C)CCNC(=O)c1n[nH]c2cccc(Cl)c12 CC(C)CC[*:1] O=C(N[*:1])c1n[nH]c2cccc(Cl)c12
Cc1cccc(C(=O)N(CC(N)=O)CC(N)=O)c1 NC(=O)C[*:1] Cc1cccc(c1)C(=O)N(CC(N)=O)[*:1]
Cc1cccc(C(=O)N(CC(N)=O)CC(N)=O)c1 NC(=O)[*:1] Cc1cccc(c1)C(=O)N(CC(N)=O)C[*:1]
Cc1ccc(NC(=O)CSc2nnc3n(Cc4ccco4)c(=O)c4sccc4n23)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=c1c2sccc2n2c(nnc2n1Cc1ccco1)SC[*:1]
Cc1ccc(NC(=O)CSc2nnc3n(Cc4ccco4)c(=O)c4sccc4n23)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)NC(=O)CSc1nnc2n(c(=O)c3sccc3n12)[*:1]
Cc1ccc(NC(=O)CSc2nnc3n(Cc4ccco4)c(=O)c4sccc4n23)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)NC(=O)CSc1nnc2n(C[*:1])c(=O)c3sccc3n12
Cc1ccc(NC(=O)CSc2nnc3n(Cc4ccco4)c(=O)c4sccc4n23)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnc2n(Cc3ccco3)c(=O)c3sccc3n12)N[*:1]
CC(=O)C1=C(C)C(C(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)=N[C@@H]1C c1ccc(cc1)[*:1] CC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)COC(=O)c1c(C)nn(c1C)[*:1]
CC(=O)C1=C(C)C(C(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)=N[C@@H]1C CC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)COC(=O)c1c(C)nn(-c2ccccc2)c1C
O=C(CCNC(=O)c1c[nH]c2nccc(Cl)c12)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCNC(=O)c1c[nH]c2nccc(Cl)c12)N[*:1]
CC(C)c1ccc(NC(=O)COc2nnc3ccccn23)cc1 CC(C)[*:1] O=C(COc1nnc2ccccn12)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2ccco2)cc1 CC(=O)N[*:1] O=S(=O)(NCC[C@H](O)c1ccco1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2ccco2)cc1 c1coc(c1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC[C@H](O)[*:1]
Cc1ccc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N(C)Cc1[nH+]ccn1C
O=C(NCc1ccccn1)c1cc(C2CC2)nc2onc(-c3ccco3)c12 C1CC1[*:1] O=C(NCc1ccccn1)c1cc(nc2onc(-c3ccco3)c12)[*:1]
O=C(NCc1ccccn1)c1cc(C2CC2)nc2onc(-c3ccco3)c12 c1ccc(C[*:1])nc1 O=C(N[*:1])c1cc(nc2onc(-c3ccco3)c12)C1CC1
O=C(NCc1ccccn1)c1cc(C2CC2)nc2onc(-c3ccco3)c12 c1coc(c1)[*:1] O=C(NCc1ccccn1)c1cc(nc2onc(c12)[*:1])C1CC1
O=C(NCc1ccccn1)c1cc(C2CC2)nc2onc(-c3ccco3)c12 c1ccc(nc1)[*:1] O=C(NC[*:1])c1cc(nc2onc(-c3ccco3)c12)C1CC1
[O-]/C(=C\SCc1ccccc1)N1CCc2ccccc21 c1ccc(cc1)[*:1] [O-]/C(=C\SC[*:1])N1CCc2ccccc21
Cc1cc(C)cc(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)c1 Cc1nnc(s1)[*:1] Cc1cc(C)cc(c1)C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CS[C@H]12)CS[*:1]
Cc1cc(C)cc(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)c1 Cc1nnc(S[*:1])s1 Cc1cc(C)cc(c1)C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CS[C@H]12)C[*:1]
Cc1cc(C)cc(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)c1 Cc1nnc(SC[*:1])s1 Cc1cc(C)cc(c1)C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CS[C@H]12)[*:1]
Cc1cc(C)cc(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)c1 Cc1cc(C)cc(c1)[*:1] Cc1nnc(SCC2CS[C@@H]3[C@@H](NC(=O)[*:1])C(=O)N3C=2C(=O)[O-])s1
Cc1cc(C)cc(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)C(=O)N[C@H]1C(=O)N2C(=C(CSc3nnc(C)s3)CS[C@H]12)[*:1]
O=C(CCSc1ccccn1)N1CCC(OC2CCOCC2)CC1 c1ccc(nc1)[*:1] O=C(CCS[*:1])N1CCC(CC1)OC1CCOCC1
O=C(CCSc1ccccn1)N1CCC(OC2CCOCC2)CC1 C1CC(CCO1)O[*:1] O=C(CCSc1ccccn1)N1CCC(CC1)[*:1]
O=C(CCSc1ccccn1)N1CCC(OC2CCOCC2)CC1 C1CC(CCO1)[*:1] O=C(CCSc1ccccn1)N1CCC(CC1)O[*:1]
O=C(CCSc1ccccn1)N1CCC(OC2CCOCC2)CC1 c1ccc(nc1)SC[*:1] O=C(C[*:1])N1CCC(CC1)OC1CCOCC1
O=C(CCSc1ccccn1)N1CCC(OC2CCOCC2)CC1 c1ccc(nc1)S[*:1] O=C(CC[*:1])N1CCC(CC1)OC1CCOCC1
COc1ccc(NC(=O)c2csc(NC(=O)Nc3ccccc3)n2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)c1csc(n1)NC(=O)N[*:1]
CCc1cnc(CN(C)C(=O)NCc2ccccc2-n2cccn2)s1 CCc1cnc(s1)[*:1] CN(C[*:1])C(=O)NCc1ccccc1-n1cccn1
CCc1cnc(CN(C)C(=O)NCc2ccccc2-n2cccn2)s1 c1cnn(c1)[*:1] CCc1cnc(CN(C)C(=O)NCc2ccccc2[*:1])s1
CCc1cnc(CN(C)C(=O)NCc2ccccc2-n2cccn2)s1 CCc1cnc(C[*:1])s1 CN(C(=O)NCc1ccccc1-n1cccn1)[*:1]
CC[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CCSc1ccc(Cl)cc1 O=C([O-])[*:1] CC[NH2+][C@@]1(CCC[C@H]1CCSc1ccc(Cl)cc1)[*:1]
CC[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CCSc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[NH2+][C@@]1(CCC[C@H]1CCS[*:1])C(=O)[O-]
N#CC1(NC(=O)c2csc(-c3cnccn3)n2)CCCCC1 c1cnc(cn1)[*:1] N#CC1(CCCCC1)NC(=O)c1csc(n1)[*:1]
COC(=O)c1c(C2CC2)csc1NC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] COC(=O)c1c(csc1NC(=O)N1CCOC[C@@H]1[*:1])C1CC1
COC(=O)c1c(C2CC2)csc1NC(=O)N1CCOC[C@H]1C1CC1 COC(=O)[*:1] O=C(Nc1scc(c1[*:1])C1CC1)N1CCOC[C@H]1C1CC1
COC(=O)c1c(C2CC2)csc1NC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] COC(=O)c1c(csc1NC(=O)N1CCOC[C@H]1C1CC1)[*:1]
Cc1cccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)c1 CC(C)(C)[*:1] Cc1cccc(c1)NC(=O)Cn1nnc2sc3C[C@@H](CCc3c2c1=O)[*:1]
Cc1cccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)c1 Cc1cccc(c1)[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc1nnn(CC(=O)N[*:1])c(=O)c21
COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)c1 COC(=O)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1cccc(c1)[*:1]
O=C(c1ccccc1OCC1CC1)N1CCC[C@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C(c1ccccc1OCC1CC1)N1CCC[C@H]1C[*:1]
O=C(c1ccccc1OCC1CC1)N1CCC[C@H]1Cn1cccn1 C1CC1[*:1] O=C(c1ccccc1OC[*:1])N1CCC[C@H]1Cn1cccn1
O=C(c1ccccc1OCC1CC1)N1CCC[C@H]1Cn1cccn1 C1CC1CO[*:1] O=C(c1ccccc1[*:1])N1CCC[C@H]1Cn1cccn1
O=C(c1ccccc1OCC1CC1)N1CCC[C@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C(c1ccccc1OCC1CC1)N1CCC[C@@H]1[*:1]
O=C(c1ccccc1OCC1CC1)N1CCC[C@H]1Cn1cccn1 C1CC1C[*:1] O=C(c1ccccc1O[*:1])N1CCC[C@H]1Cn1cccn1
C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2cnn(-c3ncccn3)c2)C1 c1cnc(nc1)[*:1] C[C@H]1CC(C)(C)C[C@@](CO)(C1)NC(=O)Nc1cnn(c1)[*:1]
COc1cc(Cl)ccc1CNC(=O)NCc1cc(C(C)C)no1 CC(C)[*:1] COc1cc(Cl)ccc1CNC(=O)NCc1cc(no1)[*:1]
Cc1cc(C(=O)Nc2ccc(Cl)cc2)c2c(C)nn(-c3ccc(F)cc3)c2n1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)Nc2ccc(Cl)cc2)c2c(C)nn(c2n1)[*:1]
Cc1cc(C(=O)Nc2ccc(Cl)cc2)c2c(C)nn(-c3ccc(F)cc3)c2n1 Clc1ccc(cc1)[*:1] Cc1cc(C(=O)N[*:1])c2c(C)nn(-c3ccc(F)cc3)c2n1
C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H](Sc1nnnn1-c1cccc(F)c1)[*:1]
C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)N1CCCC1 Fc1cccc(c1)[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)N1CCCC1
O=C(Cc1c[nH]c2ccccc12)Nc1nnc(C2CCCCC2)s1 C1CCC(CC1)[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1nnc(s1)[*:1]
CCOC(=O)c1noc2nc(C)n(CC(=O)N(C)Cc3ccccc3)c(=O)c12 CCOC(=O)[*:1] Cc1nc2onc(c2c(=O)n1CC(=O)N(C)Cc1ccccc1)[*:1]
CCOC(=O)c1noc2nc(C)n(CC(=O)N(C)Cc3ccccc3)c(=O)c12 c1ccc(cc1)[*:1] CCOC(=O)c1noc2nc(C)n(CC(=O)N(C)C[*:1])c(=O)c12
CCOC(=O)c1noc2nc(C)n(CC(=O)N(C)Cc3ccccc3)c(=O)c12 c1ccc(cc1)C[*:1] CCOC(=O)c1noc2nc(C)n(CC(=O)N(C)[*:1])c(=O)c12
C#CCN(CC#C)C(=O)CCC(=O)c1ccc(Br)cc1 C#CC[*:1] C#CCN(C(=O)CCC(=O)c1ccc(Br)cc1)[*:1]
CC(C)[NH2+]CC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 CC(C)[*:1] Fc1cc(Br)cc(c1)C[NH+]1CCC(CC1)C[NH2+][*:1]
C[NH+](C)CCCNC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 FC(F)(F)[*:1] C[NH+](C)CCCNC(=O)N[C@]1(Oc2ccc(Cl)cc2O1)[*:1]
CCN(CCC#N)C(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCN(CCC#N)C(=O)[C@@H](C)Sc1ccc(cc1)[*:1]
CCN(CCC#N)C(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 N#CC[*:1] CCN(C[*:1])C(=O)[C@@H](C)Sc1ccc(cc1)NC(C)=O
CCN(CCC#N)C(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 N#CCC[*:1] CCN(C(=O)[C@@H](C)Sc1ccc(cc1)NC(C)=O)[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC[NH2+]C1CC1 C1CC1[*:1] Cc1nn(c(C)c1CCC[NH2+][*:1])[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC[NH2+]C1CC1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1nn(c(C)c1CCC[NH2+]C1CC1)[*:1]
CCN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N/c1cccc(Cl)c1 Fc1ccccc1[*:1] CCN1C(=O)C[C@@H](S/C1=N/c1cccc(Cl)c1)C(=O)N[*:1]
CCN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N/c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCN1C(=O)C[C@@H](SC1=N[*:1])C(=O)Nc1ccccc1F
CN(C)c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2[nH+]1 CN(C)[*:1] O=C(Nc1cc([nH+]c2ccccc12)[*:1])C12CC3CC(CC(C3)C1)C2
CCc1cnc(CCNC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)s1 CCc1cnc(s1)[*:1] O=C(NCC[*:1])N1CC[C@@H]1c1ccc(Cl)cc1
CCc1cnc(CCNC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCc1cnc(CCNC(=O)N2CC[C@H]2[*:1])s1
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 c1coc(c1)C[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc(O)cc1)[*:1])c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(O)cc2)N1Cc1ccco1
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Oc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1[*:1])c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 c1coc(c1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=C1C([O-])=C([C@@H](c2ccc(O)cc2)N1Cc1ccco1)[*:1]
CCOC[C@H]1CCN(C(=O)CSc2ccc(C)cc2)C1 CCOC[*:1] Cc1ccc(cc1)SCC(=O)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)CSc2ccc(C)cc2)C1 CCO[*:1] Cc1ccc(cc1)SCC(=O)N1CC[C@@H](C1)C[*:1]
O=C(NCCc1ccccc1)NCCn1c(-c2ccc(F)cc2)nc2cccnc21 Fc1ccc(cc1)[*:1] O=C(NCCc1ccccc1)NCCn1c(nc2cccnc21)[*:1]
O=C(NCCc1ccccc1)NCCn1c(-c2ccc(F)cc2)nc2cccnc21 c1ccc(cc1)[*:1] O=C(NCCn1c(nc2cccnc21)-c1ccc(F)cc1)NCC[*:1]
O=C(NCCc1ccccc1)NCCn1c(-c2ccc(F)cc2)nc2cccnc21 c1ccc(cc1)CC[*:1] O=C(NCCn1c(nc2cccnc21)-c1ccc(F)cc1)N[*:1]
O=C(NCCc1ccccc1)NCCn1c(-c2ccc(F)cc2)nc2cccnc21 c1ccc(cc1)C[*:1] O=C(NCCn1c(nc2cccnc21)-c1ccc(F)cc1)NC[*:1]
COCc1nnc(NC(=O)c2ccc(N3CNc4ccccc4C3=O)cc2)s1 COC[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(cc1)N1CNc2ccccc2C1=O
COCc1nnc(NC(=O)c2ccc(N3CNc4ccccc4C3=O)cc2)s1 COCc1nnc(s1)[*:1] O=C(N[*:1])c1ccc(cc1)N1CNc2ccccc2C1=O
O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1Cc2cc(F)ccc2O1 c1cc(n[nH]1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1Cc2cc(F)ccc2O1
COc1ccc([C@H](C)NC(=O)c2ccc3c(=O)n4c(nc3c2)SCCC4)cc1OC COc1ccc(cc1OC)[*:1] C[C@H](NC(=O)c1ccc2c(=O)n3CCCSc3nc2c1)[*:1]
C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1cc(Cl)ccc1Cl C1CCC(C1)[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)Nc1cc(Cl)ccc1Cl
C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] C[C@@H](Sc1nnnn1C1CCCC1)C(=O)N[*:1]
CC(=O)c1c(C)nn(CC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1C O=C([O-])c1cccc(c1)[*:1] CC(=O)c1c(C)nn(CC(=O)N2CCC[C@H](C2)[*:1])c1C
CC(=O)c1c(C)nn(CC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1C O=C([O-])[*:1] CC(=O)c1c(C)nn(CC(=O)N2CCC[C@@H](C2)c2cccc(c2)[*:1])c1C
CC(=O)c1c(C)nn(CC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1C CC(=O)[*:1] Cc1nn(CC(=O)N2CCC[C@@H](C2)c2cccc(c2)C(=O)[O-])c(C)c1[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)/C=C/c1cccc(OC(C)C)c1 CNC(=O)[*:1] CC(C)Oc1cccc(/C=C/C(=O)N(C)C[C@H](C)[*:1])c1
CNC(=O)[C@@H](C)CN(C)C(=O)/C=C/c1cccc(OC(C)C)c1 CC(C)O[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)/C=C/c1cccc(c1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)/C=C/c1cccc(OC(C)C)c1 CC(C)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)/C=C/c1cccc(c1)O[*:1]
CCCn1nc(C)c(C[NH2+][C@H]2C[C@H]3CCCc4cccc2c43)c1C CCC[*:1] Cc1nn(c(C)c1C[NH2+][C@H]1C[C@H]2CCCc3cccc1c32)[*:1]
COC(=O)c1cnn2c1ncc1c(=O)n(-c3ccc(Cl)cc3Cl)ccc12 Clc1ccc(c(Cl)c1)[*:1] COC(=O)c1cnn2c1ncc1c(=O)n(ccc12)[*:1]
COC(=O)c1cnn2c1ncc1c(=O)n(-c3ccc(Cl)cc3Cl)ccc12 COC(=O)[*:1] O=c1c2cnc3c(cnn3c2ccn1-c1ccc(Cl)cc1Cl)[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(N[C@@H](C1CC1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 C1CC1[*:1] O=C(N[C@@H](c1ccccc1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(CC1)[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(CC1)O[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(CC1)OC[*:1]
COc1ccccc1-c1cc(C(=O)Nc2ccc(C)cn2)no1 Cc1ccc(nc1)[*:1] COc1ccccc1-c1cc(no1)C(=O)N[*:1]
O=C1COc2ncc(C(=O)N[C@@H](C(=O)Nc3ccccc3)c3ccccc3)cc2N1 c1ccc(cc1)[*:1] O=C1COc2ncc(cc2N1)C(=O)N[C@@H](C(=O)Nc1ccccc1)[*:1]
O=C1COc2ncc(C(=O)N[C@@H](C(=O)Nc3ccccc3)c3ccccc3)cc2N1 O=C(Nc1ccccc1)[*:1] O=C1COc2ncc(cc2N1)C(=O)N[C@@H](c1ccccc1)[*:1]
O=C1COc2ncc(C(=O)N[C@@H](C(=O)Nc3ccccc3)c3ccccc3)cc2N1 c1ccc(cc1)[*:1] O=C1COc2ncc(cc2N1)C(=O)N[C@@H](C(=O)N[*:1])c1ccccc1
Cc1ccc(-n2nnc3c(N4CCN(S(=O)(=O)c5ccc(C)cc5C)CC4)ncnc32)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
Cc1ccc(-n2nnc3c(N4CCN(S(=O)(=O)c5ccc(C)cc5C)CC4)ncnc32)cc1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ncnc(NC[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ncnc(NC[C@@H]2CCCC[C@@H]2C)c1[*:1]
COc1ccccc1OCCN(C)C(=O)c1cc(C(C)C)no1 CC(C)[*:1] COc1ccccc1OCCN(C)C(=O)c1cc(no1)[*:1]
C/C=C(/C)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 C/C=C(/C)C(=O)N[*:1] O[C@H]1CCCC[C@@H]1Oc1ccc(cc1)[*:1]
C/C=C(/C)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 CC=C(C)[*:1] O=C(Nc1ccc(cc1)O[C@H]1CCCC[C@@H]1O)[*:1]
CN(C)C(=O)CCC[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 CN(C)C(=O)C[*:1] C1C[C@@H]2CO[C@@H](C[NH2+]CC[*:1])CN2C1
CN(C)C(=O)CCC[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 CN(C)C(=O)[*:1] C1C[C@@H]2CO[C@@H](C[NH2+]CCC[*:1])CN2C1
C[C@@H]1CCCN(C(=O)COc2ccccc2C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)COc1ccccc1C(=O)N[*:1]
CCn1c(=O)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc2ccccc21 Fc1ccc(cc1)[*:1] CCn1c(=O)c(nc2ccccc21)N1CCN(CC1)C(=O)[*:1]
CNC(=O)C1CCN(C(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 Cc1noc(C)c1C[*:1] CNC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)O[*:1]
CNC(=O)C1CCN(C(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 CNC(=O)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
CNC(=O)C1CCN(C(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 Cc1noc(C)c1[*:1] CNC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)OC[*:1]
CNC(=O)C1CCN(C(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 Cc1noc(C)c1CO[*:1] CNC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC(C)(C)C[NH+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 CC(C)(C)C[*:1] N#CCC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)[*:1]
CC(C)(C)C[NH+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 CC(C)(C)[*:1] N#CCC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[*:1]
CC(C)(C)C[NH+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 N#CC[*:1] CC(C)(C)C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[*:1]
CC(C)(C)C[NH+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)C[NH+](CCC#N)Cc1c[nH]nc1[*:1]
Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)CC1 Cc1ccc(Cl)cc1[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(CC4)[*:1])[C@H]3[C@@H]3O[C@@]132
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCCC1 CSCC[*:1] COc1ccccc1C(=O)N[C@@H](C(=O)N1CCCC1)[*:1]
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] COc1ccccc1C(=O)N[C@@H](CCSC)[*:1]
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCCC1 CSC[*:1] COc1ccccc1C(=O)N[C@@H](C[*:1])C(=O)N1CCCC1
C[C@@H]1CCCC[C@H]1CNC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] C[C@@H]1CCCC[C@H]1CNC[*:1]
CCc1ccc(N)cc1S(=O)(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] CCc1ccc(N)cc1S(=O)(=O)N(C)[*:1]
CCc1ccc(N)cc1S(=O)(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] CCc1ccc(N)cc1S(=O)(=O)N(C)C[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@@H](c2ccccn2)C1 c1ccc(nc1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CC[C@@H](C1)[*:1]
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C#N)C1 Fc1ccc(cc1)[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
CC[C@@H](CSC)NC(=O)Nc1cccc([N+](=O)[O-])c1 CSC[*:1] CC[C@@H](NC(=O)Nc1cccc(c1)[N+](=O)[O-])[*:1]
CC[C@@H](CSC)NC(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](CSC)NC(=O)Nc1cccc(c1)[*:1]
CCOC(=O)C(C)(C)N(C)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 CCOC(=O)[*:1] CN(C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)C(C)(C)[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)[*:1]
CC[C@H](C)Oc1ccccc1-c1ncc[nH]1 c1c[nH]c(n1)[*:1] CC[C@H](C)Oc1ccccc1[*:1]
CC[C@H](C)Oc1ccccc1-c1ncc[nH]1 CC[C@H](C)[*:1] c1ccc(-c2ncc[nH]2)c(c1)O[*:1]
CC[C@H](C)Oc1ccccc1-c1ncc[nH]1 CC[C@H](C)O[*:1] c1ccc(c(c1)-c1ncc[nH]1)[*:1]
O=C1N=C(SCC(=O)c2cc(F)ccc2F)N=C2SCC(c3cccs3)=C12 Fc1ccc(F)c(c1)[*:1] O=C1N=C(N=C2SCC(=C12)c1cccs1)SCC(=O)[*:1]
O=C1N=C(SCC(=O)c2cc(F)ccc2F)N=C2SCC(c3cccs3)=C12 c1csc(c1)[*:1] O=C1N=C(N=C2SCC(=C12)[*:1])SCC(=O)c1cc(F)ccc1F
CC(C)(C)OC(=O)[C@@H]1CCN(N)C1 CC(C)(C)[*:1] NN1CC[C@H](C1)C(=O)O[*:1]
CCOC(=O)C(C)(C)N(C)C(=O)c1c[nH]c2ccc(F)cc12 CCOC(=O)[*:1] CN(C(=O)c1c[nH]c2ccc(F)cc12)C(C)(C)[*:1]
O=C(C[C@@H]1C=CS(=O)(=O)C1)NN(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1C=CS(=O)(=O)C1)NN(c1ccccc1)[*:1]
COc1ccc(Br)cc1[C@@H]1C(C(=O)OCC(C)C)=C(C)N=C2S[C@H](C)C(=O)N21 CC(C)COC(=O)[*:1] COc1ccc(Br)cc1[C@@H]1C(=C(C)N=C2S[C@H](C)C(=O)N21)[*:1]
COc1ccc(Br)cc1[C@@H]1C(C(=O)OCC(C)C)=C(C)N=C2S[C@H](C)C(=O)N21 CC(C)[*:1] COc1ccc(Br)cc1[C@@H]1C(C(=O)OC[*:1])=C(C)N=C2S[C@H](C)C(=O)N21
COc1ccc(Br)cc1[C@@H]1C(C(=O)OCC(C)C)=C(C)N=C2S[C@H](C)C(=O)N21 CC(C)C[*:1] COc1ccc(Br)cc1[C@@H]1C(C(=O)O[*:1])=C(C)N=C2S[C@H](C)C(=O)N21
COc1ccc(Br)cc1[C@@H]1C(C(=O)OCC(C)C)=C(C)N=C2S[C@H](C)C(=O)N21 COc1ccc(Br)cc1[*:1] CC1N=C2S[C@H](C)C(=O)N2[C@@H](C=1C(=O)OCC(C)C)[*:1]
CCN(CCO)S(=O)(=O)c1c(C)cc(N)cc1C OCC[*:1] CCN(S(=O)(=O)c1c(C)cc(N)cc1C)[*:1]
CCc1ccc(OCC(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 C1CN(CCO1)[*:1] CCc1ccc(cc1)OCC(=O)N1CCC[C@@H]1C[*:1]
CCc1ccc(OCC(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CCc1ccc(cc1)OCC(=O)N1CCC[C@H]1[*:1]
CCc1ccc(OCC(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 CCc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC[C@@H]1CN1CCOCC1
CC[C@@H](C)NC(=O)[C@@H](C)NCc1cccc(C(N)=O)c1 NC(=O)[*:1] CC[C@@H](C)NC(=O)[C@@H](C)NCc1cccc(c1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NCc1cccc(C(N)=O)c1 CC[C@@H](C)[*:1] C[C@@H](NCc1cccc(c1)C(N)=O)C(=O)N[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)CCn1c(=S)[nH]c2ccccc2c1=O C[C@@H](c1ccccc1F)[*:1] CN(C(=O)CCn1c(=S)[nH]c2ccccc2c1=O)[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)CCn1c(=S)[nH]c2ccccc2c1=O Fc1ccccc1[*:1] C[C@@H](N(C)C(=O)CCn1c(=S)[nH]c2ccccc2c1=O)[*:1]
Brc1ccccc1[C@@H]1CN(Cc2ccon2)CCO1 c1cc(C[*:1])no1 Brc1ccccc1[C@@H]1CN(CCO1)[*:1]
Brc1ccccc1[C@@H]1CN(Cc2ccon2)CCO1 c1cc(no1)[*:1] Brc1ccccc1[C@@H]1CN(CCO1)C[*:1]
CC(C)(C)OC(=O)N1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)COc1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 CC(C)(C)[*:1] O=C(COc1cccc(c1)[N+](=O)[O-])NC1CCN(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)CO[*:1]
COc1cc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)ccc1O FC(F)(F)[*:1] COc1cc(ccc1O)CN1CCC[C@H](C1)c1n[nH]cc1-c1cccc(c1)[*:1]
COc1cc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)ccc1O COc1cc(ccc1O)C[*:1] FC(F)(F)c1cccc(c1)-c1c[nH]nc1[C@@H]1CCCN(C1)[*:1]
COc1cc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)ccc1O COc1cc(ccc1O)[*:1] FC(F)(F)c1cccc(c1)-c1c[nH]nc1[C@@H]1CCCN(C1)C[*:1]
COc1cc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)ccc1O FC(F)(F)c1cccc(c1)[*:1] COc1cc(ccc1O)CN1CCC[C@H](C1)c1n[nH]cc1[*:1]
COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2ccnn2C(C)C)cc1 CC(C)n1nccc1[*:1] COc1ccc(cc1)-c1coc2c3c(cc(O)c2c1=O)OC(=O)C[C@@H]3[*:1]
COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2ccnn2C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)n1nccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(coc3c21)[*:1]
COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2ccnn2C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)-c1coc2c3c(cc(O)c2c1=O)OC(=O)C[C@H]3c1ccnn1[*:1]
O=C(NCC[C@H](O)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 O[C@H](c1ccccc1)[*:1] O=C(NCC[*:1])c1ccc(cc1)NC(=O)C1CC1
O=C(NCC[C@H](O)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C(NCC[C@H](O)c1ccccc1)c1ccc(cc1)[*:1]
O=C(NCC[C@H](O)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 c1ccc(cc1)[*:1] O=C(NCC[C@H](O)[*:1])c1ccc(cc1)NC(=O)C1CC1
O=C(NCC[C@H](O)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] O=C(NCC[C@H](O)c1ccccc1)c1ccc(cc1)NC(=O)[*:1]
CC(C)c1nc(CC(=O)N2CCC[C@@H]2CN2CCOCC2)cs1 C1CN(CCO1)[*:1] CC(C)c1nc(cs1)CC(=O)N1CCC[C@@H]1C[*:1]
CC(C)c1nc(CC(=O)N2CCC[C@@H]2CN2CCOCC2)cs1 CC(C)[*:1] O=C(Cc1csc(n1)[*:1])N1CCC[C@@H]1CN1CCOCC1
CC(C)c1nc(CC(=O)N2CCC[C@@H]2CN2CCOCC2)cs1 C1CN(CCO1)C[*:1] CC(C)c1nc(cs1)CC(=O)N1CCC[C@H]1[*:1]
Cc1cc(C)c(C(=O)NCCSc2ccccc2)c(=O)[nH]1 c1ccc(cc1)S[*:1] Cc1cc(C)c(C(=O)NCC[*:1])c(=O)[nH]1
Cc1cc(C)c(C(=O)NCCSc2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)NCCS[*:1])c(=O)[nH]1
O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1)c1cccnc1 O=C(N[*:1])c1cccnc1 c1cc(cc(c1)-n1cccn1)C[NH+]1CCC(CC1)n1nccc1[*:1]
O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1)c1cccnc1 c1cnn(c1)[*:1] O=C(Nc1ccnn1C1CC[NH+](CC1)Cc1cccc(c1)[*:1])c1cccnc1
O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccnn1C1CC[NH+](CC1)Cc1cccc(c1)-n1cccn1)[*:1]
Cc1ccc(-c2nc(C)cc(SCC(=O)N3CCN(c4ccccc4F)CC3)n2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-c1nc(C)cc(n1)SCC(=O)N1CCN(CC1)[*:1]
Cc1ccc(-c2nc(C)cc(SCC(=O)N3CCN(c4ccccc4F)CC3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(nc(n1)[*:1])SCC(=O)N1CCN(CC1)c1ccccc1F
CNC(=O)NC(=O)[C@H](N[C@@H](C)c1cc(C)ccc1OC)c1ccccc1 CNC(=O)NC(=O)[*:1] COc1ccc(C)cc1[C@H](C)N[C@H](c1ccccc1)[*:1]
CNC(=O)NC(=O)[C@H](N[C@@H](C)c1cc(C)ccc1OC)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@H](N[C@@H](C)c1cc(C)ccc1OC)[*:1]
[NH3+]C[C@@H](CCC[C@H]1CCCO1)c1ccc(Br)cc1 C1CO[C@H](C1)C[*:1] [NH3+]C[C@@H](CC[*:1])c1ccc(Br)cc1
[NH3+]C[C@@H](CCC[C@H]1CCCO1)c1ccc(Br)cc1 C1CO[C@H](C1)[*:1] [NH3+]C[C@@H](CCC[*:1])c1ccc(Br)cc1
CNS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(F)cc2)s1 CNS(=O)(=O)[*:1] O=C(Cc1ccc(F)cc1)NCc1ccc(s1)[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(CNC(=O)C[*:1])s1
CC[C@@H]([NH3+])[C@H](N1CCN2C(=O)NC[C@@H]2C1)C(F)(F)F FC(F)(F)[*:1] CC[C@@H]([NH3+])[C@H](N1CCN2C(=O)NC[C@@H]2C1)[*:1]
Cc1cc(C)n([C@H]2CCN(C(=O)COCc3nc4ccc(F)cc4[nH]3)C2)n1 Cc1cc(C)n(n1)[*:1] O=C(COCc1nc2ccc(F)cc2[nH]1)N1CC[C@@H](C1)[*:1]
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 O=C([O-])[*:1] O=C(Nc1cnn(c1)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[*:1]
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 Clc1ccc(cc1Cl)[*:1] O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(c1)C[*:1]
CCOC(=O)[C@H]1C(=O)NC[C@H]1c1cc(OC)c2c(c1)OCO2 CCOC(=O)[*:1] COc1cc(cc2OCOc12)[C@@H]1CNC(=O)[C@@H]1[*:1]
CCCN(Cc1ccccc1)C(=O)C1CC(=O)NC(=O)C1 c1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)C1CC(=O)NC(=O)C1
CCCN(Cc1ccccc1)C(=O)C1CC(=O)NC(=O)C1 CCC[*:1] O=C1CC(CC(=O)N1)C(=O)N(Cc1ccccc1)[*:1]
CCCN(Cc1ccccc1)C(=O)C1CC(=O)NC(=O)C1 c1ccc(cc1)C[*:1] CCCN(C(=O)C1CC(=O)NC(=O)C1)[*:1]
Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCc1ccon1)C2 Fc1ccccc1[*:1] Cn1nc(C(=O)NC[*:1])c2C[C@@H](CCc21)NCc1ccon1
Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCc1ccon1)C2 Fc1ccccc1C[*:1] Cn1nc(C(=O)N[*:1])c2C[C@@H](CCc21)NCc1ccon1
Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCc1ccon1)C2 c1cc(no1)[*:1] Cn1nc(C(=O)NCc2ccccc2F)c2C[C@@H](CCc21)NC[*:1]
Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCc1ccon1)C2 c1cc(CN[*:1])no1 Cn1nc(C(=O)NCc2ccccc2F)c2C[C@H](CCc21)[*:1]
Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCc1ccon1)C2 c1cc(C[*:1])no1 Cn1nc(C(=O)NCc2ccccc2F)c2C[C@@H](CCc21)N[*:1]
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCC1 N#CC1(CCC1)[*:1] C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[*:1]
Cc1c(Cl)ccc2sc(NC(=O)c3ccncc3)nc12 c1cc(ccn1)[*:1] Cc1c(Cl)ccc2sc(nc12)NC(=O)[*:1]
O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 Clc1ccc(Cl)c(c1)[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1cccc(F)c1)N[*:1]
O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1CC(=O)N(C1)[*:1]
CCOC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CCOC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CCOC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 CCOC(=O)NC(=O)C[*:1] O=S(=O)(c1ccc(Cl)c(c1)C(F)(F)F)N1CCN(CC1)[*:1]
CCOC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 CCOC(=O)NC(=O)[*:1] O=S(=O)(c1ccc(Cl)c(c1)C(F)(F)F)N1CCN(CC1)C[*:1]
CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)CC2CCCC2)CC1 C1CCC(C1)[*:1] CCN1CC[NH+](CC1)C[C@H](C)CNC(=O)N(C)C[*:1]
CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)CC2CCCC2)CC1 C1CCC(C1)C[*:1] CCN1CC[NH+](CC1)C[C@H](C)CNC(=O)N(C)[*:1]
CCCC(C)(C)NC(=O)c1cc(OC)c(OC)c(OC)c1 CCC[*:1] COc1cc(cc(OC)c1OC)C(=O)NC(C)(C)[*:1]
CCCC(C)(C)NC(=O)c1cc(OC)c(OC)c(OC)c1 CCCC(C)(C)[*:1] COc1cc(cc(OC)c1OC)C(=O)N[*:1]
CSCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSCC(=O)Nc1c(C#N)c(C)c(C)n1C[*:1]
CSCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 CSC[*:1] Cc1c(C#N)c(NC(=O)[*:1])n(Cc2ccc(F)cc2)c1C
CSCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 CSCC(=O)N[*:1] Cc1c(C#N)c(n(Cc2ccc(F)cc2)c1C)[*:1]
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O c1cc2CCCc2cc1[*:1] CC[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc(F)cc1
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O Fc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)c2ccc3CCCc3c2)C1=O)[*:1]
CCc1nn(CC(=O)NCCCc2ccccc2)c(=O)c2cc3ccsc3n12 c1ccc(cc1)CCC[*:1] CCc1nn(CC(=O)N[*:1])c(=O)c2cc3ccsc3n12
CCc1nn(CC(=O)NCCCc2ccccc2)c(=O)c2cc3ccsc3n12 c1ccc(cc1)C[*:1] CCc1nn(CC(=O)NCC[*:1])c(=O)c2cc3ccsc3n12
CCc1nn(CC(=O)NCCCc2ccccc2)c(=O)c2cc3ccsc3n12 c1ccc(cc1)[*:1] CCc1nn(CC(=O)NCCC[*:1])c(=O)c2cc3ccsc3n12
CCc1nn(CC(=O)NCCCc2ccccc2)c(=O)c2cc3ccsc3n12 c1ccc(cc1)CC[*:1] CCc1nn(CC(=O)NC[*:1])c(=O)c2cc3ccsc3n12
CN(CCc1ccccn1)c1[nH+]cccc1CNc1ccc(Cl)cn1 c1ccc(CC[*:1])nc1 CN(c1[nH+]cccc1CNc1ccc(Cl)cn1)[*:1]
CN(CCc1ccccn1)c1[nH+]cccc1CNc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] CN(CCc1ccccn1)c1[nH+]cccc1CN[*:1]
CN(CCc1ccccn1)c1[nH+]cccc1CNc1ccc(Cl)cn1 Clc1ccc(nc1)N[*:1] CN(CCc1ccccn1)c1[nH+]cccc1C[*:1]
CN(CCc1ccccn1)c1[nH+]cccc1CNc1ccc(Cl)cn1 c1ccc(nc1)[*:1] CN(CC[*:1])c1[nH+]cccc1CNc1ccc(Cl)cn1
CN(CCc1ccccn1)c1[nH+]cccc1CNc1ccc(Cl)cn1 c1ccc(C[*:1])nc1 CN(C[*:1])c1[nH+]cccc1CNc1ccc(Cl)cn1
CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)[*:1]
CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)[N-]S(=O)(=O)C=C[*:1]
CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 CC(C)C(=O)N[*:1] O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1ccc(cc1)[*:1]
C[C@@H]1Cc2ccc(-c3cc(COC(=O)[C@@H]4CCC(=O)N4)no3)cc2O1 O=C1CC[C@H](N1)[*:1] C[C@@H]1Cc2ccc(cc2O1)-c1cc(COC(=O)[*:1])no1
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(OC)c1)CC(=O)N2 COc1cccc(c1)[*:1] C=CCSc1nc2NC(=O)C[C@@H](c2c(=O)[nH]1)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(OC)c1)CC(=O)N2 C=CC[*:1] COc1cccc(c1)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)S[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(OC)c1)CC(=O)N2 C=CCS[*:1] COc1cccc(c1)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(=O)[nH]1 C1CO[C@@H](C1)[*:1] Cc1ccc(C(=O)NC[*:1])c(=O)[nH]1
CN(C(=O)c1ccc2ccccc2n1)C1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN(C(=O)c1ccc2ccccc2n1)C1CCN(CC1)[*:1]
CC(C)=CC(=O)NCc1cc[nH+]c(N2CCO[C@@H](C)C2)c1 CC(C)=CC(=O)N[*:1] C[C@H]1CN(CCO1)c1cc(cc[nH+]1)C[*:1]
CC(C)=CC(=O)NCc1cc[nH+]c(N2CCO[C@@H](C)C2)c1 CC(C)=C[*:1] C[C@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)[*:1]
CC(C)=CC(=O)NCc1cc[nH+]c(N2CCO[C@@H](C)C2)c1 C[C@H]1CN(CCO1)[*:1] CC(C)=CC(=O)NCc1cc[nH+]c(c1)[*:1]
COCCC/N=c1\c(O)c(O)c1=[N+]1CCN(C(C)=O)CC1 COC[*:1] CC(=O)N1CC[N+](CC1)=c1c(O)c(O)/c1=N\CC[*:1]
COCCC/N=c1\c(O)c(O)c1=[N+]1CCN(C(C)=O)CC1 COCC[*:1] CC(=O)N1CC[N+](CC1)=c1c(O)c(O)/c1=N\C[*:1]
COCCC/N=c1\c(O)c(O)c1=[N+]1CCN(C(C)=O)CC1 COCCC[*:1] CC(=O)N1CC[N+](CC1)=c1c(O)c(O)c1=N[*:1]
Cc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1F Cn1cc(cn1)[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+][C@H](C)[*:1]
Cc1cc(C)c(CS(=O)(=O)CCC(=O)Nc2ccc(F)c(F)c2)c(C)c1 Fc1ccc(cc1F)[*:1] Cc1cc(C)c(CS(=O)(=O)CCC(=O)N[*:1])c(C)c1
C[C@H](SCc1ccccc1)C(=O)Nc1nc2c(s1)COCC2 c1ccc(cc1)C[*:1] C[C@H](S[*:1])C(=O)Nc1nc2CCOCc2s1
C[C@H](SCc1ccccc1)C(=O)Nc1nc2c(s1)COCC2 c1ccc(cc1)[*:1] C[C@H](SC[*:1])C(=O)Nc1nc2CCOCc2s1
Cc1oc(C(=O)NCCn2cccc2)cc1S(=O)(=O)N(C)C c1ccn(c1)C[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)NC[*:1]
Cc1oc(C(=O)NCCn2cccc2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)NCCn1cccc1
Cc1oc(C(=O)NCCn2cccc2)cc1S(=O)(=O)N(C)C c1ccn(c1)CC[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)N[*:1]
Cc1oc(C(=O)NCCn2cccc2)cc1S(=O)(=O)N(C)C c1ccn(c1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)NCC[*:1]
CC(C)[C@H](Br)C(=O)N[C@]1(C)CCS(=O)(=O)C1 CC(C)[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)[C@@H](Br)[*:1]
CC(C)[C@H](Br)C(=O)N[C@]1(C)CCS(=O)(=O)C1 CC(C)[C@H](Br)[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)[*:1]
CCN(Cc1ccccn1)C(=O)CCOc1cccc(Cl)c1Cl c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)CCOc1cccc(Cl)c1Cl
CCN(Cc1ccccn1)C(=O)CCOc1cccc(Cl)c1Cl c1ccc(C[*:1])nc1 CCN(C(=O)CCOc1cccc(Cl)c1Cl)[*:1]
COCCc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COCCc1ccc(cc1)OC(=O)c1ccccc1[*:1]
COCCc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 COC[*:1] O=C(Oc1ccc(cc1)C[*:1])c1ccccc1[N+](=O)[O-]
COCCc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 COCC[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccccc1[N+](=O)[O-]
CC(=O)Nc1ccc(C)c(NC(=O)N(C)CCCOc2ccc(F)cc2)c1 Fc1ccc(cc1)O[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)N(C)CCC[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)N(C)CCCOc2ccc(F)cc2)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)N(C)CCCOc1ccc(F)cc1)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)N(C)CCCOc2ccc(F)cc2)c1 Fc1ccc(cc1)OC[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)N(C)CC[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)N(C)CCCOc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)N(C)CCCO[*:1]
O=C(CC[NH+]1CCC(C(F)(F)F)CC1)NCc1ccccc1Cl FC(F)(F)[*:1] O=C(CC[NH+]1CCC(CC1)[*:1])NCc1ccccc1Cl
O=C(CC[NH+]1CCC(C(F)(F)F)CC1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CC[NH+]1CCC(CC1)C(F)(F)F)NC[*:1]
O=C(NC[C@H](O)C1CCOCC1)Nc1cc(Cl)ccc1F C1CC(CCO1)[*:1] O=C(NC[C@H](O)[*:1])Nc1cc(Cl)ccc1F
O=C(Nc1cnn(CC(F)F)c1)c1cc(Br)ccc1F FC(F)C[*:1] O=C(Nc1cnn(c1)[*:1])c1cc(Br)ccc1F
O=C(Nc1cnn(CC(F)F)c1)c1cc(Br)ccc1F FC(F)[*:1] O=C(Nc1cnn(c1)C[*:1])c1cc(Br)ccc1F
COC(=O)C(C(=O)CSc1nc2nc(C)cc(C)n2n1)=C1Nc2ccccc2N1 COC(=O)[*:1] Cc1cc(C)n2nc(nc2n1)SCC(=O)C(=C1Nc2ccccc2N1)[*:1]
C[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)N[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)NC3CCCC3)nc3ccccc32)C1 O=C(NC1CCCC1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Cn1c(nc2ccccc21)SC[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)NC3CCCC3)nc3ccccc32)C1 C1CCC(C1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Cn1c(nc2ccccc21)SCC(=O)N[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)NC3CCCC3)nc3ccccc32)C1 O=C(CS[*:1])NC1CCCC1 C[C@@H]1C[C@@H](C)CN(C1)C(=O)Cn1c(nc2ccccc21)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)NC3CCCC3)nc3ccccc32)C1 O=C(C[*:1])NC1CCCC1 C[C@@H]1C[C@@H](C)CN(C1)C(=O)Cn1c(nc2ccccc21)S[*:1]
CC[C@@H](C)n1ncc2c(C(=O)N3CC[C@](F)(C(=O)OC)C3)cc(C)nc21 CC[C@@H](C)[*:1] COC(=O)[C@@]1(F)CCN(C1)C(=O)c1cc(C)nc2c1cnn2[*:1]
CC[C@@H](C)n1ncc2c(C(=O)N3CC[C@](F)(C(=O)OC)C3)cc(C)nc21 COC(=O)[*:1] CC[C@@H](C)n1ncc2c(cc(C)nc21)C(=O)N1CC[C@](F)(C1)[*:1]
CCOCCN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CCOCCN(C)C(=O)[C@@H]1CCCCN1C(=O)[*:1]
CCOCCN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 CCOCC[*:1] CN(C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1)[*:1]
CCOCCN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 CCO[*:1] CN(CC[*:1])C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1
CCOCCN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 CCOC[*:1] CN(C[*:1])C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1
Fc1ccc(NCc2cc(-c3ccccc3)[nH]n2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)NCc1cc([nH]n1)[*:1]
Nc1nc(NC[C@H](O)c2ccc(Cl)c(F)c2)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Nc1nc(cc(n1)[*:1])NC[C@H](O)c1ccc(Cl)c(F)c1
Nc1nc(NC[C@H](O)c2ccc(Cl)c(F)c2)cc(-n2cccn2)n1 Fc1cc(ccc1Cl)[*:1] Nc1nc(cc(n1)-n1cccn1)NC[C@H](O)[*:1]
Cn1c(CCN[C@@H](C[C@@H]2CCOC2)c2ccccc2)nc2c(F)cccc21 c1ccc(cc1)[*:1] Cn1c(CCN[C@@H](C[C@@H]2CCOC2)[*:1])nc2c(F)cccc21
Cn1c(CCN[C@@H](C[C@@H]2CCOC2)c2ccccc2)nc2c(F)cccc21 C1C[C@H](CO1)C[*:1] Cn1c(CCN[C@@H](c2ccccc2)[*:1])nc2c(F)cccc21
COc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(Nc1cnn(c1)Cc1ccc(Cl)cc1Cl)[*:1]
COc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)cc1 Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1cnn(c1)C[*:1]
COc1ccc(Nc2cc(C)c([N+](=O)[O-])cn2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)Nc1cc(C)c(cn1)[*:1]
O=C(Cc1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(Cc1ccccc1)Nc1ccccc1[*:1]
O=C(Cc1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)N1CCOCC1
O=C(Cc1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 c1ccc(cc1)C[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCOCC1
Cn1cnnc1-c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 Cn1cnnc1[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
Cn1cnnc1-c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] Cn1cnnc1-c1ccc(cc1)NC(=O)COc1ccc(cc1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)c1 CC(C)S(=O)(=O)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)[C@@H](C)[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)c1 CC(C)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)[C@@H](C)S(=O)(=O)[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)c1 CC(=O)N(C)[*:1] CC(C)S(=O)(=O)[C@H](C)C(=O)Nc1cccc(c1)[*:1]
O=C(Nc1ccccc1-n1cccn1)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(Nc1ccccc1-n1cccn1)N1CC[NH+](CC1)[*:1]
O=C(Nc1ccccc1-n1cccn1)N1CC[NH+](C2CCCC2)CC1 c1cnn(c1)[*:1] O=C(Nc1ccccc1[*:1])N1CC[NH+](CC1)C1CCCC1
C=CCc1cc(-c2ccccc2)cc(C=O)c1OCC c1ccc(cc1)[*:1] C=CCc1cc(cc(C=O)c1OCC)[*:1]
C=CCc1cc(-c2ccccc2)cc(C=O)c1OCC C=CC[*:1] CCOc1c(C=O)cc(cc1[*:1])-c1ccccc1
C=CCc1cc(-c2ccccc2)cc(C=O)c1OCC CCO[*:1] C=CCc1cc(cc(C=O)c1[*:1])-c1ccccc1
CCc1c(C)nc(-c2cccc(Cl)c2)nc1NC1CC[NH2+]CC1 Clc1cccc(c1)[*:1] CCc1c(C)nc(nc1NC1CC[NH2+]CC1)[*:1]
COc1cccc(CC(=O)N(Cc2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)N(C[*:1])C(C)C
COc1cccc(CC(=O)N(Cc2ccccc2)C(C)C)c1 CC(C)[*:1] COc1cccc(c1)CC(=O)N(Cc1ccccc1)[*:1]
COc1cccc(CC(=O)N(Cc2ccccc2)C(C)C)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)CC(=O)N(C(C)C)[*:1]
Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[*:1]
Cc1cccc(OCC(=O)NCc2cc(=O)n3nc(-c4ccccc4)sc3n2)c1C c1ccc(cc1)[*:1] Cc1cccc(OCC(=O)NCc2cc(=O)n3nc(sc3n2)[*:1])c1C
Cc1cccc(OCC(=O)NCc2cc(=O)n3nc(-c4ccccc4)sc3n2)c1C Cc1cccc(O[*:1])c1C O=C(C[*:1])NCc1cc(=O)n2nc(sc2n1)-c1ccccc1
Cc1cccc(OCC(=O)NCc2cc(=O)n3nc(-c4ccccc4)sc3n2)c1C Cc1cccc(c1C)[*:1] O=C(CO[*:1])NCc1cc(=O)n2nc(sc2n1)-c1ccccc1
Cc1cccc(OCC(=O)NCc2cc(=O)n3nc(-c4ccccc4)sc3n2)c1C Cc1cccc(OC[*:1])c1C O=C(NCc1cc(=O)n2nc(sc2n1)-c1ccccc1)[*:1]
Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[NH+](CCC(C)C)CC1 CC(C)C[*:1] Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[NH+](CC1)C[*:1]
Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[NH+](CCC(C)C)CC1 Cc1ccccc1[*:1] CC(C)CC[NH+]1CCN(CC1)[C@@H](C)C(=O)N(C)C[*:1]
Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[NH+](CCC(C)C)CC1 Cc1ccccc1C[*:1] CC(C)CC[NH+]1CCN(CC1)[C@@H](C)C(=O)N(C)[*:1]
Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[NH+](CCC(C)C)CC1 CC(C)[*:1] Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[NH+](CC1)CC[*:1]
Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[NH+](CCC(C)C)CC1 CC(C)CC[*:1] Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[NH+](CC1)[*:1]
COC(C)(C)c1noc(-c2cnn(-c3cccc(Cl)c3)c2)n1 Clc1cccc(c1)[*:1] COC(C)(C)c1noc(n1)-c1cnn(c1)[*:1]
COC(C)(C)c1noc(-c2cnn(-c3cccc(Cl)c3)c2)n1 COC(C)(C)[*:1] Clc1cccc(c1)-n1cc(cn1)-c1nc(no1)[*:1]
CCCC(=O)N1CSC[C@H]1C(=O)NCC1(O)CCCCC1 OC1(CCCCC1)[*:1] CCCC(=O)N1CSC[C@H]1C(=O)NC[*:1]
CCCC(=O)N1CSC[C@H]1C(=O)NCC1(O)CCCCC1 CCC[*:1] O=C(NCC1(O)CCCCC1)[C@@H]1CSCN1C(=O)[*:1]
COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(OC)c1OC(C)=O c1ccc(cc1)[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)[*:1])cc(OC)c1OC(C)=O
COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(OC)c1OC(C)=O CC(=O)O[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)c2ccccc2)cc(OC)c1[*:1]
COC(=O)c1cc(CN(C)C(=O)N[C@H](c2ccccc2)C(C)C)oc1C c1ccc(cc1)[*:1] COC(=O)c1cc(CN(C)C(=O)N[C@H](C(C)C)[*:1])oc1C
COC(=O)c1cc(CN(C)C(=O)N[C@H](c2ccccc2)C(C)C)oc1C CC(C)[*:1] COC(=O)c1cc(CN(C)C(=O)N[C@H](c2ccccc2)[*:1])oc1C
COC(=O)c1cc(CN(C)C(=O)N[C@H](c2ccccc2)C(C)C)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CN(C)C(=O)N[C@H](c1ccccc1)C(C)C
O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 C1CCN(C1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
Cc1cccc2[nH]cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c12 CC(C)(C)[*:1] Cc1cccc2[nH]cc(C[C@H](NC(=O)O[*:1])C(=O)[O-])c12
Cc1cccc2[nH]cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c12 O=C([O-])[*:1] Cc1cccc2[nH]cc(C[C@H](NC(=O)OC(C)(C)C)[*:1])c12
CC(=O)Nc1ccc(NC(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c23)cc1 CC(=O)N[*:1] Cc1sc2nc(nc(SCC(=O)Nc3ccc(cc3)[*:1])c2c1C)C1CCCCC1
CC(=O)Nc1ccc(NC(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c23)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1sc2nc(nc(SCC(=O)N[*:1])c2c1C)C1CCCCC1
CC(=O)Nc1ccc(NC(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c23)cc1 C1CCC(CC1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CSc1nc(nc2sc(C)c(C)c12)[*:1]
C[C@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](Nc1ccc(cc1)NC(=O)C[NH+](C)C)C(=O)N[*:1]
COCc1ccccc1NC(=O)NCc1ccc(C)cc1N(C)C CN(C)[*:1] COCc1ccccc1NC(=O)NCc1ccc(C)cc1[*:1]
COCc1ccccc1NC(=O)NCc1ccc(C)cc1N(C)C COC[*:1] Cc1ccc(CNC(=O)Nc2ccccc2[*:1])c(c1)N(C)C
Cc1cc(C(=O)CCC(=O)N[C@@H](CO)c2ccco2)c(C)s1 c1coc(c1)[*:1] Cc1cc(C(=O)CCC(=O)N[C@@H](CO)[*:1])c(C)s1
Cc1cc(C(=O)CCC(=O)N[C@@H](CO)c2ccco2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CCC(=O)[*:1])N[C@@H](CO)c1ccco1
C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CCC(=O)O2)cc1 O=C1CC[C@@H](O1)[*:1] C[NH+](C)CCCOc1ccc(cc1)NC(=O)[*:1]
CN(CCc1cccs1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O c1csc(c1)C[*:1] CN(C[*:1])C(=O)N[C@H]1CCN(C1=O)c1cnn(C)c1
CN(CCc1cccs1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O Cn1cc(cn1)[*:1] CN(CCc1cccs1)C(=O)N[C@H]1CCN(C1=O)[*:1]
CN(CCc1cccs1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O c1csc(c1)[*:1] CN(CC[*:1])C(=O)N[C@H]1CCN(C1=O)c1cnn(C)c1
CN(CCc1cccs1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O c1csc(c1)CC[*:1] CN(C(=O)N[C@H]1CCN(C1=O)c1cnn(C)c1)[*:1]
CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)N(c1ccccc1)c1ccccc12 c1ccc(cc1)[*:1] CCOC(=O)[C@@]12C(=O)C(=O)N[C@@]1(N(c1ccccc1)c1ccccc12)[*:1]
CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)N(c1ccccc1)c1ccccc12 CCOC(=O)[*:1] O=C1N[C@]2(c3ccccc3)N(c3ccccc3)c3ccccc3[C@]2(C1=O)[*:1]
CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)N(c1ccccc1)c1ccccc12 c1ccc(cc1)[*:1] CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)N(c1ccccc12)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3cc[nH]c3c2)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc2cc[nH]c2c1
COc1cccc(CN(C)C(=O)c2cnc3nc([O-])[nH]c(=O)c3c2)c1 COc1cccc(c1)[*:1] CN(C[*:1])C(=O)c1cnc2nc([O-])[nH]c(=O)c2c1
C[C@H](NC(=O)NCc1ccsc1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)NCc1ccsc1)c1noc(n1)[*:1]
C[C@H](NC(=O)NCc1ccsc1)c1noc(Cc2ccccc2)n1 c1cc(cs1)[*:1] C[C@H](NC(=O)NC[*:1])c1noc(Cc2ccccc2)n1
C[C@H](NC(=O)NCc1ccsc1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCc1ccsc1)c1noc(C[*:1])n1
C[C@H](NC(=O)NCc1ccsc1)c1noc(Cc2ccccc2)n1 c1cc(cs1)C[*:1] C[C@H](NC(=O)N[*:1])c1noc(Cc2ccccc2)n1
C[C@@H](NC(=O)CCn1ccc2c(Br)cccc21)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCn1ccc2c(Br)cccc21)[*:1]
CN1C(=O)C[C@](CC(=O)N2CCC[C@@H]2c2nccs2)(c2ccc(-c3ccccc3)cc2)C1=O c1csc(n1)[*:1] CN1C(=O)C[C@@](CC(=O)N2CCC[C@H]2[*:1])(C1=O)c1ccc(cc1)-c1ccccc1
CN1C(=O)C[C@](CC(=O)N2CCC[C@@H]2c2nccs2)(c2ccc(-c3ccccc3)cc2)C1=O c1ccc(cc1)[*:1] CN1C(=O)C[C@@](CC(=O)N2CCC[C@@H]2c2nccs2)(C1=O)c1ccc(cc1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O c1csc(c1)C[*:1] C[C@H](N(C)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O
C[C@H](Cc1cccs1)N(C)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O C[C@H](Cc1cccs1)[*:1] CN(C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[*:1]
Cc1noc(CCC(=O)NCc2ccnc(OC3CCC3)c2)n1 C1CC(C1)[*:1] Cc1noc(CCC(=O)NCc2ccnc(c2)O[*:1])n1
Cc1noc(CCC(=O)NCc2ccnc(OC3CCC3)c2)n1 Cc1noc(C[*:1])n1 O=C(C[*:1])NCc1ccnc(c1)OC1CCC1
Cc1noc(CCC(=O)NCc2ccnc(OC3CCC3)c2)n1 Cc1noc(n1)[*:1] O=C(CC[*:1])NCc1ccnc(c1)OC1CCC1
Cc1noc(CCC(=O)NCc2ccnc(OC3CCC3)c2)n1 C1CC(C1)O[*:1] Cc1noc(CCC(=O)NCc2ccnc(c2)[*:1])n1
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] CC(C)OC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1Cl CC(C)[*:1] Cc1ccc(cc1Cl)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)C(=O)O[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1Cl CC(C)OC(=O)[*:1] Cc1ccc(cc1Cl)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1[N+](=O)[O-] FC(F)(F)C[*:1] Cc1ccc(cc1[N+](=O)[O-])CN[C@@H](c1ccc(F)cc1)[*:1]
Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1ccc(cc1[N+](=O)[O-])CN[C@@H](C[*:1])c1ccc(F)cc1
Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])CN[C@@H](CC(F)(F)F)[*:1]
Cc1ccc(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])CN[C@@H](CC(F)(F)F)c1ccc(F)cc1
Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1I Cc1cccc(c1I)[*:1] CN1CCC/C1=N\S(=O)(=O)c1cccc(c1)NC(=O)[*:1]
C[C@H](CNc1ncnc2nc(N)ccc12)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNc1ncnc2nc(N)ccc12)[*:1]
C[C@H](CNc1ncnc2nc(N)ccc12)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNc1ncnc2nc(N)ccc12)O[*:1]
COc1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)c1 COc1cccc(c1)[*:1] CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=N[*:1]
COc1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)/N=C1\S[C@@H](CC(=O)N[*:1])C(=O)N1C
C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 c1ccc(cc1)[*:1] C[NH+](C)C[C@@H]1CCN(C1)C(=O)c1cccc(c1)O[*:1]
C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 c1ccc(cc1)O[*:1] C[NH+](C)C[C@@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
CCCS(=O)(=O)N1CCC(=NOCC(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] CCCS(=O)(=O)N1CCC(CC1)=NOCC(=O)N[*:1]
CCCS(=O)(=O)N1CCC(=NOCC(=O)NC2CCCCC2)CC1 CCC[*:1] O=C(CON=C1CCN(CC1)S(=O)(=O)[*:1])NC1CCCCC1
Cc1nnc(CS[C@@H](C)c2cn(-c3ccccc3)nn2)n1C Cc1nnc(n1C)[*:1] C[C@H](SC[*:1])c1cn(nn1)-c1ccccc1
Cc1nnc(CS[C@@H](C)c2cn(-c3ccccc3)nn2)n1C c1ccc(cc1)[*:1] Cc1nnc(CS[C@@H](C)c2cn(nn2)[*:1])n1C
Cc1cccc(-c2cc(C(=O)NCCOC(C)C)no2)c1 Cc1cccc(c1)[*:1] CC(C)OCCNC(=O)c1cc(on1)[*:1]
Cc1cccc(-c2cc(C(=O)NCCOC(C)C)no2)c1 CC(C)OC[*:1] Cc1cccc(c1)-c1cc(no1)C(=O)NC[*:1]
Cc1cccc(-c2cc(C(=O)NCCOC(C)C)no2)c1 CC(C)[*:1] Cc1cccc(c1)-c1cc(no1)C(=O)NCCO[*:1]
Cc1cccc(-c2cc(C(=O)NCCOC(C)C)no2)c1 CC(C)O[*:1] Cc1cccc(c1)-c1cc(no1)C(=O)NCC[*:1]
Cc1cccc(-c2cc(C(=O)NCCOC(C)C)no2)c1 CC(C)OCC[*:1] Cc1cccc(c1)-c1cc(no1)C(=O)N[*:1]
C[C@H](C(=O)[O-])n1ccc(C(=O)N(C)Cc2cnn(C)c2)n1 Cn1cc(cn1)C[*:1] C[C@H](C(=O)[O-])n1ccc(n1)C(=O)N(C)[*:1]
C[C@H](C(=O)[O-])n1ccc(C(=O)N(C)Cc2cnn(C)c2)n1 Cn1cc(cn1)[*:1] C[C@H](C(=O)[O-])n1ccc(n1)C(=O)N(C)C[*:1]
C[C@H](C(=O)[O-])n1ccc(C(=O)N(C)Cc2cnn(C)c2)n1 O=C([O-])[*:1] C[C@H](n1ccc(n1)C(=O)N(C)Cc1cnn(C)c1)[*:1]
OCc1ccc(OC/C(Cl)=C/Cl)c(C(F)(F)F)c1 Cl/C=C(\Cl)C[*:1] OCc1ccc(O[*:1])c(c1)C(F)(F)F
OCc1ccc(OC/C(Cl)=C/Cl)c(C(F)(F)F)c1 Cl/C=C(\Cl)CO[*:1] OCc1ccc(c(c1)C(F)(F)F)[*:1]
OCc1ccc(OC/C(Cl)=C/Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] OCc1ccc(OC/C(Cl)=C/Cl)c(c1)[*:1]
OCc1ccc(OC/C(Cl)=C/Cl)c(C(F)(F)F)c1 Cl/C=C(\Cl)[*:1] OCc1ccc(OC[*:1])c(c1)C(F)(F)F
Cc1ccccc1/N=C1\NC(=O)S\C1=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1/N=C1\NC(=O)SC1=C[*:1]
Cc1ccccc1/N=C1\NC(=O)S\C1=C/c1ccc(Cl)cc1 Cc1ccccc1[*:1] O=C1NC(=N[*:1])/C(=C/c2ccc(Cl)cc2)S1
CC(=O)Nc1ccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)cc1 CC(=O)N[*:1] Cc1ccn2c(-c3csc(n3)Nc3ccc(cc3)[*:1])c(C)nc2c1
Cc1nc(C)c(C(=O)N/N=C/c2ccccc2)cc1C(=O)N/N=C/c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(C)c(cc1C(=O)N/N=C/c1ccccc1)C(=O)NN=C[*:1]
O=C1COc2cc(C(=O)Nc3ncc(Cc4ccc(Br)cc4)s3)ccc2N1 Brc1ccc(cc1)[*:1] O=C1COc2cc(ccc2N1)C(=O)Nc1ncc(C[*:1])s1
O=C1COc2cc(C(=O)Nc3ncc(Cc4ccc(Br)cc4)s3)ccc2N1 Brc1ccc(cc1)C[*:1] O=C1COc2cc(ccc2N1)C(=O)Nc1ncc(s1)[*:1]
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCC2(CC1)NC(=O)NC2=O CC(C)[*:1] Cc1ccc(cc1O[C@H](C)C(=O)N1CCC2(CC1)NC(=O)NC2=O)[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC(C)(C)[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC(C)(C)N1CCOCC1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCC(C)(C)N1CCOCC1
Cc1nn(CC(=O)NCC(F)(F)F)c(C)c1[N+](=O)[O-] FC(F)(F)C[*:1] Cc1nn(CC(=O)N[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CC(=O)NCC(F)(F)F)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)NCC(F)(F)F)c(C)c1[*:1]
Cc1nn(CC(=O)NCC(F)(F)F)c(C)c1[N+](=O)[O-] FC(F)(F)[*:1] Cc1nn(CC(=O)NC[*:1])c(C)c1[N+](=O)[O-]
COc1cccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c1 COc1cccc(c1)C[*:1] Cc1sc(cc1S(=O)(=O)N[*:1])-c1cc([nH]n1)C(F)(F)F
COc1cccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c1 COc1cccc(c1)[*:1] Cc1sc(cc1S(=O)(=O)NC[*:1])-c1cc([nH]n1)C(F)(F)F
COc1cccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c1 FC(F)(F)[*:1] COc1cccc(c1)CNS(=O)(=O)c1cc(sc1C)-c1cc([nH]n1)[*:1]
COc1cccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c1 FC(F)(F)c1cc(n[nH]1)[*:1] COc1cccc(c1)CNS(=O)(=O)c1cc(sc1C)[*:1]
Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2
CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1cnn(C)c1 CC(C)[*:1] Cn1cc(cn1)SCC[C@H]1CCC[C@]1([NH2+][*:1])C(N)=O
CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1cnn(C)c1 Cn1cc(cn1)S[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H]1CC[*:1])C(N)=O
CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1cnn(C)c1 NC(=O)[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H]1CCSc1cnn(C)c1)[*:1]
CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1cnn(C)c1 Cn1cc(cn1)[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H]1CCS[*:1])C(N)=O
Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(cc2)[*:1])o1
Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 Cc1ccc(C=C[*:1])o1 O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 Cc1ccc(o1)[*:1] O=C(C=C[*:1])NC(=S)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](C)c1ccsc1 NS(=O)(=O)[*:1] COc1ccc(cc1C(=O)NC[C@@H](C)c1ccsc1)[*:1]
COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](C)c1ccsc1 c1cc(cs1)[*:1] COc1ccc(cc1C(=O)NC[C@@H](C)[*:1])S(N)(=O)=O
CCOc1ccc(CC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 Cc1ccc(c(C)c1)[*:1] CCOc1ccc(cc1)CC(=O)Nc1nc(cs1)[*:1]
CCOc1ccc(CC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 CCO[*:1] Cc1ccc(-c2csc(n2)NC(=O)Cc2ccc(cc2)[*:1])c(C)c1
C[C@@](NCC[NH+]1CCCC1)(C(N)=O)c1cccc(Cl)c1 NC(=O)[*:1] C[C@@](NCC[NH+]1CCCC1)(c1cccc(Cl)c1)[*:1]
COCCn1cc(C(=O)NC(C)C)c(=O)c(C(=O)NC2CCCCCCC2)c1 CC(C)[*:1] COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(c1)C(=O)N[*:1]
COCCn1cc(C(=O)NC(C)C)c(=O)c(C(=O)NC2CCCCCCC2)c1 C1CCCC(CCC1)[*:1] COCCn1cc(C(=O)NC(C)C)c(=O)c(c1)C(=O)N[*:1]
COCCn1cc(C(=O)NC(C)C)c(=O)c(C(=O)NC2CCCCCCC2)c1 CC(C)NC(=O)[*:1] COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(c1)[*:1]
COCCn1cc(C(=O)NC(C)C)c(=O)c(C(=O)NC2CCCCCCC2)c1 COCC[*:1] CC(C)NC(=O)c1cn(cc(C(=O)NC2CCCCCCC2)c1=O)[*:1]
COCCn1cc(C(=O)NC(C)C)c(=O)c(C(=O)NC2CCCCCCC2)c1 COC[*:1] CC(C)NC(=O)c1cn(cc(C(=O)NC2CCCCCCC2)c1=O)C[*:1]
[NH3+][C@H](C(=O)[O-])c1cccc(CC(=O)[O-])c1 O=C([O-])[*:1] [NH3+][C@H](c1cccc(c1)CC(=O)[O-])[*:1]
[NH3+][C@H](C(=O)[O-])c1cccc(CC(=O)[O-])c1 O=C([O-])[*:1] [NH3+][C@H](C(=O)[O-])c1cccc(c1)C[*:1]
[NH3+][C@H](C(=O)[O-])c1cccc(CC(=O)[O-])c1 O=C([O-])C[*:1] [NH3+][C@H](C(=O)[O-])c1cccc(c1)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 CCC[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)N[C@H](Cc1ccccc1)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 c1ccc(cc1)[*:1] CCC[C@@H](C[*:1])NC(=O)N[C@H]1CC(=O)N(C1)C1CC1
CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 c1ccc(cc1)C[*:1] CCC[C@@H](NC(=O)N[C@H]1CC(=O)N(C1)C1CC1)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC(=O)N(C1)[*:1]
Cc1cc(NC(=O)Cc2ccc3c(c2)OCCO3)ccc1N1CCCC1=O O=C1CCCN1[*:1] Cc1cc(ccc1[*:1])NC(=O)Cc1ccc2OCCOc2c1
Cn1cc(N2CC[C@@H](NC(=O)N[C@H]3CC=CCC3)C2=O)cn1 Cn1cc(cn1)[*:1] O=C(N[C@H]1CC=CCC1)N[C@@H]1CCN(C1=O)[*:1]
CN(C(=O)C(C)(C)c1cccc(C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1=O N#Cc1cccc(c1)[*:1] CN(C(=O)C(C)(C)[*:1])[C@@H]1CCN(CC(F)(F)F)C1=O
CN(C(=O)C(C)(C)c1cccc(C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] CN(C(=O)C(C)(C)c1cccc(C#N)c1)[C@@H]1CCN(C1=O)[*:1]
CN(C(=O)C(C)(C)c1cccc(C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] CN(C(=O)C(C)(C)c1cccc(C#N)c1)[C@@H]1CCN(C[*:1])C1=O
O=C([O-])Cc1cc(=O)nc(SCc2cccc(Cl)c2)[nH]1 O=C([O-])C[*:1] O=c1cc([nH]c(n1)SCc1cccc(Cl)c1)[*:1]
O=C([O-])Cc1cc(=O)nc(SCc2cccc(Cl)c2)[nH]1 O=C([O-])[*:1] O=c1cc(C[*:1])[nH]c(n1)SCc1cccc(Cl)c1
O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1cccs1 c1csc(c1)[*:1] O=C(COc1ccc2nc3CCCCCn3c(=O)c2c1)NCC[*:1]
O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(COc1ccc2nc3CCCCCn3c(=O)c2c1)N[*:1]
O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1cccs1 c1csc(c1)C[*:1] O=C(COc1ccc2nc3CCCCCn3c(=O)c2c1)NC[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F CC(C)[*:1] NC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CC[*:1])c(F)c1
CC(C)CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F NC(=O)[*:1] CC(C)CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(cc1F)[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F CC(C)CC[*:1] NC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2[*:1])c(F)c1
CC(C)CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F CC(C)C[*:1] NC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[*:1])c(F)c1
CC(C)CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F)C(C)C CC(C)C[*:1] CC(C)N(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F)[*:1]
CC(C)CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F)C(C)C CC(C)[*:1] CC(C)CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F)[*:1]
CC(C)CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F)C(C)C Fc1ccccc1C[*:1] CC(C)CN(C(=O)C[C@@H]1C(=O)NCCN1[*:1])C(C)C
CC(C)CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F)C(C)C Fc1ccccc1[*:1] CC(C)CN(C(=O)C[C@@H]1C(=O)NCCN1C[*:1])C(C)C
CC(C)CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F)C(C)C CC(C)[*:1] CC(C)N(C[*:1])C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F
O=C([O-])[C@@]12Nc3ccccc3[C@@](C(=O)[O-])(Nc3ccccc31)O2 O=C([O-])[*:1] O=C([O-])[C@@]12Nc3ccccc3[C@](Nc3ccccc31)(O2)[*:1]
Nc1cc(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)ncn1 Nc1cc(ncn1)[*:1] c1cn(Cc2cscn2)c([nH+]1)C1CCN(CC1)[*:1]
Nc1cc(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)ncn1 c1nc(cs1)C[*:1] Nc1cc(ncn1)N1CCC(CC1)c1[nH+]ccn1[*:1]
Nc1cc(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)ncn1 c1nc(cs1)[*:1] Nc1cc(ncn1)N1CCC(CC1)c1[nH+]ccn1C[*:1]
COC[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)nn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)nn1[*:1]
COC[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)nn1-c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)C(=O)N1CCC[C@H]1[*:1]
O=C(NCCc1ccccn1)NCc1ccccc1CN1CCCC1=O c1ccc(nc1)[*:1] O=C(NCC[*:1])NCc1ccccc1CN1CCCC1=O
O=C(NCCc1ccccn1)NCc1ccccc1CN1CCCC1=O c1ccc(CC[*:1])nc1 O=C(NCc1ccccc1CN1CCCC1=O)N[*:1]
O=C(NCCc1ccccn1)NCc1ccccc1CN1CCCC1=O c1ccc(C[*:1])nc1 O=C(NCc1ccccc1CN1CCCC1=O)NC[*:1]
O=C(NCCc1ccccn1)NCc1ccccc1CN1CCCC1=O O=C1CCCN1[*:1] O=C(NCCc1ccccn1)NCc1ccccc1C[*:1]
O=C(NCCc1ccccn1)NCc1ccccc1CN1CCCC1=O O=C1CCCN1C[*:1] O=C(NCCc1ccccn1)NCc1ccccc1[*:1]
COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c(OC)c1 c1cc(c2nonc2c1)[*:1] COc1ccc(c(c1)OC)N(C)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] CN(C(=O)C1CCN(CC1)S(=O)(=O)c1cccc2nonc12)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NNC(=O)c1oc2ccccc2c1C Cc1c(oc2ccccc12)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NNC(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NNC(=O)c1oc2ccccc2c1C c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)NNC(=O)c1oc2ccccc2c1C)[*:1]
O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(Cc1cccc2ccccc12)Nc1nnc(s1)[*:1]
CCOCc1ccccc1CNC(=O)C(=O)Nc1ccc(C)cc1F Cc1ccc(c(F)c1)[*:1] CCOCc1ccccc1CNC(=O)C(=O)N[*:1]
CCOCc1ccccc1CNC(=O)C(=O)Nc1ccc(C)cc1F CCOC[*:1] Cc1ccc(NC(=O)C(=O)NCc2ccccc2[*:1])c(F)c1
CCOCc1ccccc1CNC(=O)C(=O)Nc1ccc(C)cc1F CCO[*:1] Cc1ccc(NC(=O)C(=O)NCc2ccccc2C[*:1])c(F)c1
C[C@H](NCc1nnc(-c2ccccc2)s1)c1ccc(F)cc1Cl c1ccc(cc1)[*:1] C[C@H](NCc1nnc(s1)[*:1])c1ccc(F)cc1Cl
Cc1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1 Fc1ccc(cc1)[*:1] Cc1nnc(SCC(=O)Nc2nc(cs2)[*:1])s1
Cc1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1 Cc1nnc(s1)[*:1] O=C(CS[*:1])Nc1nc(cs1)-c1ccc(F)cc1
Cc1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1 Cc1nnc(S[*:1])s1 O=C(C[*:1])Nc1nc(cs1)-c1ccc(F)cc1
COc1cccc2sc(N3CCN(C(=O)C4CCCCC4)CC3)nc12 C1CCC(CC1)[*:1] COc1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
CCN(Cc1ccccn1)C(=O)CCc1cscn1 c1nc(cs1)[*:1] CCN(Cc1ccccn1)C(=O)CC[*:1]
CCN(Cc1ccccn1)C(=O)CCc1cscn1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)CCc1cscn1
CCN(Cc1ccccn1)C(=O)CCc1cscn1 c1nc(cs1)C[*:1] CCN(Cc1ccccn1)C(=O)C[*:1]
CC(=O)c1cc(C(=O)Nc2cnc3n2CCCC3)c(=O)[nH]c1C CC(=O)[*:1] Cc1[nH]c(=O)c(cc1[*:1])C(=O)Nc1cnc2CCCCn12
CC(C)c1cc(C(=O)NCc2ccc(NC(N)=O)cc2)n[nH]1 NC(=O)N[*:1] CC(C)c1cc(n[nH]1)C(=O)NCc1ccc(cc1)[*:1]
CC(C)c1cc(C(=O)NCc2ccc(NC(N)=O)cc2)n[nH]1 CC(C)[*:1] NC(=O)Nc1ccc(cc1)CNC(=O)c1cc([nH]n1)[*:1]
COC(OC)[C@H](C)NC(=O)[C@](C)(N)C(F)(F)F COC(OC)[*:1] C[C@H](NC(=O)[C@](C)(N)C(F)(F)F)[*:1]
COC(OC)[C@H](C)NC(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] COC(OC)[C@H](C)NC(=O)[C@](C)(N)[*:1]
COC[C@@H](C)Cc1nc(C[NH2+]C(C)C)no1 CC(C)[*:1] COC[C@@H](C)Cc1nc(C[NH2+][*:1])no1
COC[C@@H](C)Cc1nc(C[NH2+]C(C)C)no1 CC(C)[NH2+]C[*:1] COC[C@@H](C)Cc1nc(no1)[*:1]
COC[C@@H](C)Cc1nc(C[NH2+]C(C)C)no1 COC[*:1] CC(C)[NH2+]Cc1noc(C[C@H](C)[*:1])n1
COC[C@@H](C)Cc1nc(C[NH2+]C(C)C)no1 COC[C@@H](C)[*:1] CC(C)[NH2+]Cc1noc(C[*:1])n1
CNC(=O)c1ccc(Nc2ncnc3sc(-c4ccccc4)c(C)c23)cc1 CNC(=O)[*:1] Cc1c(sc2ncnc(Nc3ccc(cc3)[*:1])c12)-c1ccccc1
CNC(=O)c1ccc(Nc2ncnc3sc(-c4ccccc4)c(C)c23)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)Nc1ncnc2sc(c(C)c12)[*:1]
Cc1ccc(CNC(=O)c2occc2-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(CNC(=O)c2occc2[*:1])s1
Cc1ccc(CNC(=O)c2occc2-c2ccccc2)s1 Cc1ccc(C[*:1])s1 O=C(N[*:1])c1occc1-c1ccccc1
Cc1ccc(CNC(=O)c2occc2-c2ccccc2)s1 Cc1ccc(s1)[*:1] O=C(NC[*:1])c1occc1-c1ccccc1
COc1ccc(C[NH+]2CCCN(C(=O)c3ccc(C)c(C)c3O)CC2)cc1 Cc1ccc(c(O)c1C)[*:1] COc1ccc(cc1)C[NH+]1CCCN(CC1)C(=O)[*:1]
COc1ccc(C[NH+]2CCCN(C(=O)c3ccc(C)c(C)c3O)CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C(=O)N2CCC[NH+](CC2)C[*:1])c(O)c1C
COc1ccc(C[NH+]2CCCN(C(=O)c3ccc(C)c(C)c3O)CC2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(C(=O)N2CCC[NH+](CC2)[*:1])c(O)c1C
N#Cc1ncn(CCCC(=O)c2cccs2)n1 c1csc(c1)[*:1] N#Cc1ncn(CCCC(=O)[*:1])n1
CN(C(=O)Cn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21)c1ccccc1 CN(C(=O)C[*:1])c1ccccc1 O=C1C[C@@H](CN1c1cccc(Cl)c1)c1nc2ccccc2n1[*:1]
CN(C(=O)Cn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21)c1ccccc1 Clc1cccc(c1)[*:1] CN(C(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1])c1ccccc1
CN(C(=O)Cn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)c1cccc(Cl)c1)[*:1]
CN(C(=O)Cn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21)c1ccccc1 CN(C(=O)[*:1])c1ccccc1 O=C1C[C@@H](CN1c1cccc(Cl)c1)c1nc2ccccc2n1C[*:1]
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 c1coc(c1)C[*:1] Cc1ccc(cc1C(=O)N1CCN(CC1)c1cccc[nH+]1)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 c1coc(c1)[*:1] Cc1ccc(cc1C(=O)N1CCN(CC1)c1cccc[nH+]1)S(=O)(=O)NC[*:1]
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 O=S(=O)(NCc1ccco1)[*:1] Cc1ccc(cc1C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
Cn1nc([C@H]2CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)n(-c2ccccc2)c1=O c1ccc2O[C@@H](COc2c1)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)[*:1])n(-c2ccccc2)c1=O
Cn1nc([C@H]2CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)[C@@H]2COc3ccccc3O2)n(c1=O)[*:1]
C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)N[*:1]
C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(I)cc1 O=[N+]([O-])[*:1] C[C@H](Oc1cc(F)ccc1[*:1])C(=O)Nc1ccc(I)cc1
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccn(Cc2ccccc2)n1 CC(C)(C)[*:1] C[C@H]1OC(C)(C)N(C(=O)O[*:1])[C@@H]1C(=O)Nc1ccn(Cc2ccccc2)n1
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccn(n1)[*:1]
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ccn(C[*:1])n1
C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccc(F)cc1OCC(F)F FC(F)[*:1] C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccc(F)cc1OC[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccc(F)cc1OCC(F)F CS(=O)(=O)C[*:1] C[C@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccc(F)cc1OCC(F)F FC(F)C[*:1] C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccc(F)cc1O[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccc(F)cc1OCC(F)F C[C@H](CS(C)(=O)=O)[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)N[*:1]
C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccc(F)cc1OCC(F)F CS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)Nc1ccc(F)cc1OCC(F)F
C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccc(F)cc1OCC(F)F FC(F)CO[*:1] C[C@H](CS(C)(=O)=O)NC(=O)Nc1ccc(F)cc1[*:1]
O=C(Cc1ccon1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 c1cc(C[*:1])no1 O=C(c1cc(Cl)ccc1F)N1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccon1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 c1cc(no1)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1cc(Cl)ccc1F
O=C(Cc1ccon1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 Fc1ccc(Cl)cc1[*:1] O=C(Cc1ccon1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)CCN1CCCCO1 C1CCN(OC1)[*:1] C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)CC[*:1]
C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)CCN1CCCCO1 C1CCN(C[*:1])OC1 C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)C[*:1]
C[NH+](C)CCNC(=O)c1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 c1ccn(c1)[*:1] C[NH+](C)CCNC(=O)c1cccc(c1)NC(=O)c1cccc(c1)[*:1]
COc1cc(OC)cc(C(=O)N(c2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)c1 Brc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)N([C@H]1C=CS(=O)(=O)C1)[*:1])OC
COc1ccc([C@H](C)CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(c(C)c1NC(=O)C[C@@H](C)[*:1])[N+](=O)[O-]
COc1ccc([C@H](C)CC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@H](C)CC(=O)Nc1c(C)ccc(c1C)[*:1]
Cc1nn(C)c(C)c1/C=C/C(=O)Oc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] Cc1nn(C)c(C)c1/C=C/C(=O)Oc1ccc(cc1)[*:1]
Cc1nn(C)c(C)c1/C=C/C(=O)Oc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1/C=C/C(=O)Oc1ccc(cc1)O[*:1]
Cc1nn(C)c(C)c1/C=C/C(=O)Oc1ccc(Oc2ccccc2)cc1 Cc1nn(C)c(C)c1[*:1] O=C(C=C[*:1])Oc1ccc(cc1)Oc1ccccc1
CO[C@H]1[C@H](NC(=O)c2cc(CC(C)C)no2)c2ccccc2C12CC[NH2+]CC2 CC(C)C[*:1] CO[C@H]1[C@H](NC(=O)c2cc(no2)[*:1])c2ccccc2C12CC[NH2+]CC2
CO[C@H]1[C@H](NC(=O)c2cc(CC(C)C)no2)c2ccccc2C12CC[NH2+]CC2 CC(C)Cc1cc(on1)[*:1] CO[C@H]1[C@H](NC(=O)[*:1])c2ccccc2C12CC[NH2+]CC2
CO[C@H]1[C@H](NC(=O)c2cc(CC(C)C)no2)c2ccccc2C12CC[NH2+]CC2 CC(C)[*:1] CO[C@H]1[C@H](NC(=O)c2cc(C[*:1])no2)c2ccccc2C12CC[NH2+]CC2
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccccc1C Cc1ccccc1[*:1] CC[C@H](C)OC(=O)C1=C(C)NC2C[C@H](C)[C@H](C(=O)OC)C(=O)C=2[C@@H]1[*:1]
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccccc1C CC[C@H](C)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)O[*:1])[C@@H]2c1ccccc1C
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccccc1C COC(=O)[*:1] CC[C@H](C)OC(=O)C1=C(C)NC2C[C@H](C)[C@H](C(=O)C=2[C@H]1c1ccccc1C)[*:1]
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccccc1C CC[C@H](C)OC(=O)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C([C@@H]2c1ccccc1C)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](c2ccccn2)C(C)C)C1 CCNS(=O)(=O)[*:1] CC(C)[C@@H](NC(=O)N1CC[C@H](C1)[*:1])c1ccccn1
CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](c2ccccn2)C(C)C)C1 c1ccc(nc1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)N[C@@H](C(C)C)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](c2ccccn2)C(C)C)C1 CC(C)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)N[C@@H](c1ccccn1)[*:1]
C[C@@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)C(=O)C(C)(C)C)[*:1]
C[C@@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 CC(C)(C)[*:1] C[C@@H](NC(=O)N1CCN(CC1)C(=O)[*:1])c1ccccc1
CC(=O)c1ccccc1C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)O[C@H]1CCCC[C@@H]1O)c1ccccc1[*:1]
O=C1c2ccccc2C(=O)N1CCCCCl ClCCC[*:1] O=C1c2ccccc2C(=O)N1C[*:1]
O=C1c2ccccc2C(=O)N1CCCCCl ClCCCC[*:1] O=C1c2ccccc2C(=O)N1[*:1]
O=C1c2ccccc2C(=O)N1CCCCCl ClCC[*:1] O=C1c2ccccc2C(=O)N1CC[*:1]
C[C@H]1CCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 Oc1cccc(c1)[*:1] C[C@H]1CCC[C@H]1NC(=O)Cc1csc(n1)NC(=O)[*:1]
O=C([O-])[C@H]1CC[NH2+][C@@H]1c1cccc(F)c1 O=C([O-])[*:1] Fc1cccc(c1)[C@H]1[NH2+]CC[C@@H]1[*:1]
Cc1oc(-c2ccccc2)nc1CS(=O)(=O)[C@@H](C)C(=O)NCc1cccs1 c1ccc(cc1)[*:1] Cc1oc(nc1CS(=O)(=O)[C@@H](C)C(=O)NCc1cccs1)[*:1]
Cc1oc(-c2ccccc2)nc1CS(=O)(=O)[C@@H](C)C(=O)NCc1cccs1 c1csc(c1)C[*:1] Cc1oc(nc1CS(=O)(=O)[C@@H](C)C(=O)N[*:1])-c1ccccc1
Cc1oc(-c2ccccc2)nc1CS(=O)(=O)[C@@H](C)C(=O)NCc1cccs1 c1csc(c1)[*:1] Cc1oc(nc1CS(=O)(=O)[C@@H](C)C(=O)NC[*:1])-c1ccccc1
Cc1oc(-c2ccccc2)nc1CS(=O)(=O)[C@@H](C)C(=O)NCc1cccs1 O=C(NCc1cccs1)[*:1] Cc1oc(nc1CS(=O)(=O)[C@@H](C)[*:1])-c1ccccc1
COCC[NH2+][C@@H](C)[C@H](C)Cc1ccc(Br)s1 COC[*:1] C[C@H]([NH2+]C[*:1])[C@H](C)Cc1ccc(Br)s1
COCC[NH2+][C@@H](C)[C@H](C)Cc1ccc(Br)s1 COCC[*:1] C[C@H]([NH2+][*:1])[C@H](C)Cc1ccc(Br)s1
C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1OC(F)F FC(F)O[*:1] C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1[*:1]
C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1OC(F)F c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)Nc1ccccc1OC(F)F
C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1OC(F)F FC(F)[*:1] C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1O[*:1]
C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1OC(F)F c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)Nc1ccccc1OC(F)F
C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1OC(F)F c1ccc(cc1)CC[*:1] C[C@H](NC(=O)Nc1ccccc1OC(F)F)[*:1]
Cc1ccc(N2CC[C@H](NC(=O)c3cc(F)ccc3F)C2=O)cc1C Fc1ccc(F)c(c1)[*:1] Cc1ccc(cc1C)N1CC[C@H](NC(=O)[*:1])C1=O
Cc1ccc(N2CC[C@H](NC(=O)c3cc(F)ccc3F)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])c1cc(F)ccc1F
CCS(=O)(=O)N1CCN(c2ncc(-c3cc(C)no3)c(-c3ccco3)n2)CC1 c1coc(c1)[*:1] CCS(=O)(=O)N1CCN(CC1)c1ncc(-c2cc(C)no2)c(n1)[*:1]
CCS(=O)(=O)N1CCN(c2ncc(-c3cc(C)no3)c(-c3ccco3)n2)CC1 Cc1cc(on1)[*:1] CCS(=O)(=O)N1CCN(CC1)c1ncc(c(n1)-c1ccco1)[*:1]
CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] CC1(C)N=C(C(=O)N1CC(=O)N[*:1])c1ccc(F)cc1
CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1ccc(Cl)cc1F Fc1ccc(cc1)[*:1] CC1(C)N=C(C(=O)N1CC(=O)Nc1ccc(Cl)cc1F)[*:1]
CCOC(=O)N1CCC[C@@H](C(=O)NCC(C)(C)c2ccncc2)C1 c1cc(ccn1)[*:1] CCOC(=O)N1CCC[C@H](C1)C(=O)NCC(C)(C)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2)C1 FC(F)(F)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)Nc1ccc(cc1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2)C1 CS(=O)(=O)[*:1] FC(F)(F)c1ccc(cc1)N[C@@H]1CCC[C@@H](C1)[*:1]
C=CCN1C(=O)[C@@H](NC(C)=O)c2ccccc21 CC(=O)N[*:1] C=CCN1C(=O)[C@@H](c2ccccc21)[*:1]
C=CCN1C(=O)[C@@H](NC(C)=O)c2ccccc21 C=CC[*:1] CC(=O)N[C@@H]1C(=O)N(c2ccccc21)[*:1]
C[C@H](NC(=O)CCOc1ccccc1)c1ccc(-c2ccncc2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CCO[*:1])c1ccc(cc1)-c1ccncc1
C[C@H](NC(=O)CCOc1ccccc1)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)CCOc1ccccc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CCOc1ccccc1)c1ccc(-c2ccncc2)cc1 c1ccc(cc1)OC[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccncc1
C[C@H](NC(=O)CCOc1ccccc1)c1ccc(-c2ccncc2)cc1 c1ccc(cc1)O[*:1] C[C@H](NC(=O)CC[*:1])c1ccc(cc1)-c1ccncc1
Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)C[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)C[C@@H](C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)C[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)C[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)N(C)C[C@@H](C)c1ccccc1)[*:1]
O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CC[NH+](C2CCCC2)CC1 FC(F)(F)[*:1] O=C(N[C@@H]1CCC[C@@H](C1)[*:1])N1CC[NH+](CC1)C1CCCC1
O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(N[C@@H]1CCC[C@H](C1)C(F)(F)F)N1CC[NH+](CC1)[*:1]
CCOCc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1 CCO[*:1] O=C(Nc1nnc(C[*:1])s1)C1CCN(CC1)C(=O)c1ccccc1
CCOCc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1 c1ccc(cc1)[*:1] CCOCc1nnc(NC(=O)C2CCN(CC2)C(=O)[*:1])s1
CCOCc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1 CCOC[*:1] O=C(Nc1nnc(s1)[*:1])C1CCN(CC1)C(=O)c1ccccc1
COc1cccc2c1OCC(C(=O)Nc1ccc(NC3CCOCC3)cc1)=C2 C1CC(CCO1)N[*:1] COc1cccc2C=C(COc21)C(=O)Nc1ccc(cc1)[*:1]
COc1cccc2c1OCC(C(=O)Nc1ccc(NC3CCOCC3)cc1)=C2 C1CC(CCO1)[*:1] COc1cccc2C=C(COc21)C(=O)Nc1ccc(cc1)N[*:1]
C[C@@H](CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)N1CCN(CC1)[*:1])c1ccccc1
C[C@@H](CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)N1CCN(CC1)c1ccccc1)[*:1]
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccccc1[N+](=O)[O-] CS(=O)(=O)[*:1] Cc1cc(ccc1NC(=O)c1ccccc1[N+](=O)[O-])[*:1]
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)c1ccccc1[*:1])S(C)(=O)=O
CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[*:1]
CCOc1ccc(NC(=O)CCCNC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3C2)cc1 CCOc1ccc(cc1)[*:1] O=C(CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)N[*:1]
CCOc1ccc(NC(=O)CCCNC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3C2)cc1 CCO[*:1] O=C(CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)Nc1ccc(cc1)[*:1]
COc1cccc([C@H](C)CC(=O)Nc2cnn(-c3ncccn3)c2)c1 COc1cccc(c1)[*:1] C[C@H](CC(=O)Nc1cnn(c1)-c1ncccn1)[*:1]
COc1cccc([C@H](C)CC(=O)Nc2cnn(-c3ncccn3)c2)c1 c1cnc(nc1)[*:1] COc1cccc(c1)[C@H](C)CC(=O)Nc1cnn(c1)[*:1]
COc1cccc(-c2noc(CSc3nc(-c4ccccc4)cn3N)n2)c1 COc1cccc(c1)[*:1] Nn1cc(nc1SCc1nc(no1)[*:1])-c1ccccc1
COc1cccc(-c2noc(CSc3nc(-c4ccccc4)cn3N)n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1noc(CSc2nc(cn2N)[*:1])n1
O=C(CON=C1CCC2(CC1)OCCO2)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(CON=C1CCC2(CC1)OCCO2)N[*:1]
C[C@@H](NC(=O)/C=C/c1ccccc1)c1ccccc1Br c1ccc(cc1)[*:1] C[C@@H](NC(=O)C=C[*:1])c1ccccc1Br
COc1ccc(NC(=O)[C@@H](C[NH3+])CC(C)C)cc1Br CC(C)[*:1] COc1ccc(cc1Br)NC(=O)[C@@H](C[NH3+])C[*:1]
COc1ccc(NC(=O)[C@@H](C[NH3+])CC(C)C)cc1Br CC(C)C[*:1] COc1ccc(cc1Br)NC(=O)[C@@H](C[NH3+])[*:1]
Fc1ccc([C@H](CC(F)(F)F)NCc2ccc3c(c2)OCCO3)cc1 Fc1ccc(cc1)[*:1] FC(F)(F)C[C@H](NCc1ccc2OCCOc2c1)[*:1]
Fc1ccc([C@H](CC(F)(F)F)NCc2ccc3c(c2)OCCO3)cc1 FC(F)(F)[*:1] Fc1ccc(cc1)[C@H](C[*:1])NCc1ccc2OCCOc2c1
Fc1ccc([C@H](CC(F)(F)F)NCc2ccc3c(c2)OCCO3)cc1 FC(F)(F)C[*:1] Fc1ccc(cc1)[C@H](NCc1ccc2OCCOc2c1)[*:1]
Cc1csc([C@H](C#N)C(=O)[C@H]2Cc3ccccc3S2)n1 Cc1csc(n1)[*:1] N#C[C@H](C(=O)[C@H]1Cc2ccccc2S1)[*:1]
CCCc1cc(NC(=O)CNC(=O)c2cc(F)cc(F)c2)n(C)n1 Fc1cc(F)cc(c1)[*:1] CCCc1cc(NC(=O)CNC(=O)[*:1])n(C)n1
CCCc1cc(NC(=O)CNC(=O)c2cc(F)cc(F)c2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)CNC(=O)c1cc(F)cc(F)c1)[*:1]
C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](C)NC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)C1 CC(C)(C)[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C[C@@H](C)NC(=O)C=C1CN(C1)C(=O)O[*:1]
CCOC(=O)c1cccc(NCC(=O)N2CCc3ccccc3C2)n1 CCOC(=O)[*:1] O=C(CNc1cccc(n1)[*:1])N1CCc2ccccc2C1
O=S(=O)(/C=C\c1ccccc1)/N=C(\[O-])c1ccc(Br)s1 c1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])/N=C(\[O-])c1ccc(Br)s1
O=S(=O)(/C=C\c1ccccc1)/N=C(\[O-])c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=S(=O)(/C=C\c1ccccc1)/N=C(\[O-])[*:1]
C[NH+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)CC1CCOCC1 C1CC(CCO1)[*:1] C[NH+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C[*:1]
C[NH+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)CC1CCOCC1 c1ccc(cc1)C[*:1] C[NH+](Cc1cn(nc1-c1cc2ccccc2o1)[*:1])CC1CCOCC1
C[NH+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)CC1CCOCC1 c1ccc2oc(cc2c1)[*:1] C[NH+](Cc1cn(Cc2ccccc2)nc1[*:1])CC1CCOCC1
C[NH+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)CC1CCOCC1 c1ccc(cc1)[*:1] C[NH+](Cc1cn(C[*:1])nc1-c1cc2ccccc2o1)CC1CCOCC1
C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@H](Sc1nc(n[nH]1)-c1ccccc1Br)C(=O)N[*:1]
C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(C#N)cc1 Brc1ccccc1[*:1] C[C@H](Sc1nc(n[nH]1)[*:1])C(=O)Nc1ccc(C#N)cc1
COC(=O)N[C@@H](C)C1=N[C@H](c2ccccc2)c2ccccc2NC1=O COC(=O)N[*:1] C[C@@H](C1=N[C@H](c2ccccc2)c2ccccc2NC1=O)[*:1]
COC(=O)N[C@@H](C)C1=N[C@H](c2ccccc2)c2ccccc2NC1=O c1ccc(cc1)[*:1] COC(=O)N[C@@H](C)C1=N[C@H](c2ccccc2NC1=O)[*:1]
Cn1cc(CN2CCO[C@H]([C@@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cn1cc(CN2CCO[C@@H](C2)[C@@H]2CCCO2)c(n1)-c1ccc(cc1)[*:1]
Cn1cc(CN2CCO[C@H]([C@@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])c1ccc(cc1)[*:1] Cn1cc(CN2CCO[C@@H](C2)[C@@H]2CCCO2)c(n1)[*:1]
Cn1cc(CN2CCO[C@H]([C@@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 C1CO[C@@H](C1)[*:1] Cn1cc(CN2CCO[C@H](C2)[*:1])c(n1)-c1ccc(cc1)[N+](=O)[O-]
CC(C)N(C)C(=O)NC[C@@H](CCO)c1ccccc1 CC(C)[*:1] CN(C(=O)NC[C@@H](CCO)c1ccccc1)[*:1]
CC(C)N(C)C(=O)NC[C@@H](CCO)c1ccccc1 OCC[*:1] CC(C)N(C)C(=O)NC[C@@H](c1ccccc1)[*:1]
CC(C)N(C)C(=O)NC[C@@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C)C(=O)NC[C@@H](CCO)[*:1]
CC(C)CCNC(=O)CNC(=O)c1c[nH]c2ccccc12 CC(C)C[*:1] O=C(CNC(=O)c1c[nH]c2ccccc12)NC[*:1]
CC(C)CCNC(=O)CNC(=O)c1c[nH]c2ccccc12 CC(C)[*:1] O=C(CNC(=O)c1c[nH]c2ccccc12)NCC[*:1]
CC(C)CCNC(=O)CNC(=O)c1c[nH]c2ccccc12 CC(C)CC[*:1] O=C(CNC(=O)c1c[nH]c2ccccc12)N[*:1]
Cc1ccc(C(=O)N(C[C@@H]2C[C@@H]2C)C(C)C)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)N(C[C@@H]1C[C@@H]1C)C(C)C
Cc1ccc(C(=O)N(C[C@@H]2C[C@@H]2C)C(C)C)cc1S(N)(=O)=O CC(C)[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)N(C[C@@H]1C[C@@H]1C)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc2ccccc12 CC[C@H](C)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc2ccccc12 CC[C@H](C)NC(=O)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc2ccccc12)[*:1]
COc1ccc(OC)c(CSc2nc3nn(-c4ccccc4)c(O)c3c3[n+]2CCCCC3)c1 COc1ccc(OC)c(c1)C[*:1] Oc1c2c3CCCCC[n+]3c(nc2nn1-c1ccccc1)S[*:1]
COc1ccc(OC)c(CSc2nc3nn(-c4ccccc4)c(O)c3c3[n+]2CCCCC3)c1 COc1ccc(OC)c(c1)[*:1] Oc1c2c3CCCCC[n+]3c(nc2nn1-c1ccccc1)SC[*:1]
COc1ccc(OC)c(CSc2nc3nn(-c4ccccc4)c(O)c3c3[n+]2CCCCC3)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CSc1nc2nn(c(O)c2c2CCCCC[n+]12)[*:1]
Cn1c(SCCC(F)(F)F)nnc1-c1ccncc1 FC(F)(F)CC[*:1] Cn1c(nnc1-c1ccncc1)S[*:1]
Cn1c(SCCC(F)(F)F)nnc1-c1ccncc1 c1cc(ccn1)[*:1] Cn1c(nnc1[*:1])SCCC(F)(F)F
Cn1c(SCCC(F)(F)F)nnc1-c1ccncc1 FC(F)(F)[*:1] Cn1c(nnc1-c1ccncc1)SCC[*:1]
Cn1c(SCCC(F)(F)F)nnc1-c1ccncc1 FC(F)(F)C[*:1] Cn1c(nnc1-c1ccncc1)SC[*:1]
CCC(=O)N(CCOC)c1nc(-c2ccc(OC)cc2)cs1 COCC[*:1] CCC(=O)N(c1nc(cs1)-c1ccc(cc1)OC)[*:1]
CCC(=O)N(CCOC)c1nc(-c2ccc(OC)cc2)cs1 COC[*:1] CCC(=O)N(C[*:1])c1nc(cs1)-c1ccc(cc1)OC
CC(C)c1ccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 CC(C)[*:1] C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccc(cc1)[*:1]
COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1ccc(C)c(Cl)c1 COc1ccccc1[*:1] Cc1ccc(cc1Cl)-n1nc(C)c2c1NC(=O)CS[C@H]2[*:1]
COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1ccc(C)c(Cl)c1 Cc1ccc(cc1Cl)[*:1] COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2[*:1]
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N[C@@H](C)c2ccccc2Cl)CCCC1 Clc1ccccc1[*:1] Cc1nn(C)c(C)c1C(=O)NC1(CCCC1)C(=O)N[C@@H](C)[*:1]
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N[C@@H](C)c2ccccc2Cl)CCCC1 Cc1nn(C)c(C)c1[*:1] C[C@H](NC(=O)C1(CCCC1)NC(=O)[*:1])c1ccccc1Cl
Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N[C@@H](C)c2ccccc2Cl)CCCC1 C[C@@H](c1ccccc1Cl)[*:1] Cc1nn(C)c(C)c1C(=O)NC1(CCCC1)C(=O)N[*:1]
COc1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)N(C[*:1])S(C)(=O)=O
CC(C)CCN(C)C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] CC(C)CCN(C)C(=O)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
CC(C)CCN(C)C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CC(C)C[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C
CC(C)CCN(C)C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CC(C)[*:1] CN(CC[*:1])C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C
CC(C)CCN(C)C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CC(C)CC[*:1] CN(C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)[*:1]
COc1ccccc1CNC(=O)CNC(=O)N1CC(=O)Nc2ccccc21 COc1ccccc1[*:1] O=C(CNC(=O)N1CC(=O)Nc2ccccc21)NC[*:1]
COc1ccccc1CNC(=O)CNC(=O)N1CC(=O)Nc2ccccc21 COc1ccccc1C[*:1] O=C1CN(C(=O)NCC(=O)N[*:1])c2ccccc2N1
O=C(NCc1nnc2n1CCC2)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 C1Cc2nnc(n2C1)[*:1] O=C(NC[*:1])c1cn(CC[C@@H]2CCCC[NH2+]2)nn1
C/C(=N/NC1[NH+]=c2ccccc2=[NH+]1)c1ccccc1 c1ccc(cc1)[*:1] CC(=NNC1[NH+]=c2ccccc2=[NH+]1)[*:1]
Cc1cccc(N(C)C(=O)C2CCN(C(=O)N(C)C)CC2)c1 Cc1cccc(c1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N(C)[*:1]
O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)S(=O)(=O)N1CCCCC1)N[*:1]
O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)NC1CCCCCCC1 O=S(=O)(N1CCCCC1)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)[*:1])NC1CCCCCCC1
CCc1ccc([C@@H](C)NC(=O)NNc2ccc(-n3cccn3)nn2)cc1 c1cnn(c1)[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)NNc1ccc(nn1)[*:1]
CCc1ccc([C@@H](C)NC(=O)NNc2ccc(-n3cccn3)nn2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](NC(=O)NNc1ccc(nn1)-n1cccn1)[*:1]
C[C@@H](SCc1ccnn1C)c1nc(-c2ccccc2)no1 Cn1nccc1C[*:1] C[C@@H](S[*:1])c1nc(no1)-c1ccccc1
C[C@@H](SCc1ccnn1C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](SCc1ccnn1C)c1nc(no1)[*:1]
C[C@@H](SCc1ccnn1C)c1nc(-c2ccccc2)no1 Cn1nccc1[*:1] C[C@@H](SC[*:1])c1nc(no1)-c1ccccc1
CC[C@@H]1S/C(=N\N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)NC1=O Clc1ccc(cc1Cl)[*:1] CC[C@@H]1S/C(=N\N=C\c2cccc(c2)OS(=O)(=O)[*:1])NC1=O
Cc1cc(=O)oc2cc(OCc3cc([N+](=O)[O-])ccc3OC(C)C)ccc12 CC(C)[*:1] Cc1cc(=O)oc2cc(ccc12)OCc1cc(ccc1O[*:1])[N+](=O)[O-]
Cc1cc(=O)oc2cc(OCc3cc([N+](=O)[O-])ccc3OC(C)C)ccc12 O=[N+]([O-])[*:1] Cc1cc(=O)oc2cc(ccc12)OCc1cc(ccc1OC(C)C)[*:1]
Cc1cc(=O)oc2cc(OCc3cc([N+](=O)[O-])ccc3OC(C)C)ccc12 CC(C)O[*:1] Cc1cc(=O)oc2cc(ccc12)OCc1cc(ccc1[*:1])[N+](=O)[O-]
O=C(c1csc(Nc2ccc(OC(F)F)cc2)n1)N1CCCC1 FC(F)[*:1] O=C(c1csc(n1)Nc1ccc(cc1)O[*:1])N1CCCC1
O=C(c1csc(Nc2ccc(OC(F)F)cc2)n1)N1CCCC1 FC(F)O[*:1] O=C(c1csc(n1)Nc1ccc(cc1)[*:1])N1CCCC1
O=C(c1csc(Nc2ccc(OC(F)F)cc2)n1)N1CCCC1 O=C(N1CCCC1)[*:1] FC(F)Oc1ccc(cc1)Nc1nc(cs1)[*:1]
CCC1(NC(=O)NCCc2cccc(C(=O)OC)c2)CCC1 COC(=O)[*:1] CCC1(CCC1)NC(=O)NCCc1cccc(c1)[*:1]
CCC1(NC(=O)NCCc2cccc(C(=O)OC)c2)CCC1 CCC1(CCC1)[*:1] COC(=O)c1cccc(c1)CCNC(=O)N[*:1]
O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 C1CCC(C1)C[*:1] O=C(N1CCc2nc(ncc2C1)[C@@H]1CCC[NH2+]C1)[*:1]
O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 C1CCC(C1)[*:1] O=C(C[*:1])N1CCc2nc(ncc2C1)[C@@H]1CCC[NH2+]C1
CN(NC(=O)c1ccc(I)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(NC(=O)c1ccc(I)cc1)[*:1]
COCCSc1ccccc1C(=O)N(C)C COCC[*:1] CN(C)C(=O)c1ccccc1S[*:1]
COCCSc1ccccc1C(=O)N(C)C CN(C)C(=O)[*:1] COCCSc1ccccc1[*:1]
COCCSc1ccccc1C(=O)N(C)C COC[*:1] CN(C)C(=O)c1ccccc1SC[*:1]
COCCSc1ccccc1C(=O)N(C)C COCCS[*:1] CN(C)C(=O)c1ccccc1[*:1]
Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc(N3CCCC3)c(F)c2)n1 C1CCN(C1)[*:1] Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc(c(F)c2)[*:1])n1
Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc(N3CCCC3)c(F)c2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](C[*:1])NC(=O)c1ccc(c(F)c1)N1CCCC1
Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc(N3CCCC3)c(F)c2)n1 Cc1cc(C)n(C[*:1])n1 C[C@@H](NC(=O)c1ccc(c(F)c1)N1CCCC1)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)Cn2cncn2)cc1 CC(=O)[*:1] C[C@H](Cn1cncn1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)Cn2cncn2)cc1 c1ncn(n1)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](C)C[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)Cn2cncn2)cc1 c1ncn(C[*:1])n1 CC(=O)c1ccc(cc1)NC(=O)[C@H](C)[*:1]
CSc1cccc(NC(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)c1 Cc1cccc(c1)[*:1] CSc1cccc(c1)NC(=O)Nc1c(C)nn(C[*:1])c1C
CSc1cccc(NC(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)c1 CSc1cccc(c1)[*:1] Cc1cccc(c1)Cn1nc(C)c(NC(=O)N[*:1])c1C
CSc1cccc(NC(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)c1 Cc1cccc(c1)C[*:1] CSc1cccc(c1)NC(=O)Nc1c(C)nn(c1C)[*:1]
C[C@H](CNC(=O)NCc1nnc2ccccn12)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](CNC(=O)NCc1nnc2ccccn12)[*:1]
C[C@H](CNC(=O)NCc1nnc2ccccn12)Cc1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)NCc1nnc2ccccn12)C[*:1]
Cc1ccc(CCCC(=O)N(C)[C@@H](C)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(CCCC(=O)N(C)[C@@H](C)[*:1])s1
Cc1ccc(CCCC(=O)N(C)[C@@H](C)c2ccccc2)s1 Cc1ccc(s1)[*:1] C[C@@H](c1ccccc1)N(C)C(=O)CCC[*:1]
Cc1ccc(CCCC(=O)N(C)[C@@H](C)c2ccccc2)s1 Cc1ccc(C[*:1])s1 C[C@@H](c1ccccc1)N(C)C(=O)CC[*:1]
C[NH+]1CCN(C(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)CC1 O=C([O-])[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc2OCC(=O)N(C[*:1])c2c1
C[NH+]1CCN(C(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)CC1 O=C([O-])C[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc2OCC(=O)N(c2c1)[*:1]
C[C@H](O)[C@H](C)S[C@@H]1CCN(c2ccccc2Cl)C1=O C[C@H](O)[*:1] C[C@H](S[C@@H]1CCN(C1=O)c1ccccc1Cl)[*:1]
CC1(C)Cc2c(sc(NC(=O)C(=O)NC[C@@H]3CCCO3)c2C(N)=O)CO1 NC(=O)[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)NC[C@@H]1CCCO1)c2[*:1]
CC1(C)Cc2c(sc(NC(=O)C(=O)NC[C@@H]3CCCO3)c2C(N)=O)CO1 C1CO[C@@H](C1)C[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N[*:1])c2C(N)=O
CC1(C)Cc2c(sc(NC(=O)C(=O)NC[C@@H]3CCCO3)c2C(N)=O)CO1 C1CO[C@@H](C1)[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)NC[*:1])c2C(N)=O
C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cn(C)nc2-c2cccs2)CC1 C[C@H](c1ccncc1)[*:1] Cn1cc(C[NH2+]C2CCN(CC2)[*:1])c(n1)-c1cccs1
C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cn(C)nc2-c2cccs2)CC1 c1csc(c1)[*:1] C[C@H](c1ccncc1)N1CCC(CC1)[NH2+]Cc1cn(C)nc1[*:1]
C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cn(C)nc2-c2cccs2)CC1 c1cc(ccn1)[*:1] C[C@H](N1CCC(CC1)[NH2+]Cc1cn(C)nc1-c1cccs1)[*:1]
O=C(CCC1CCCC1)N1CCC[C@H](c2n[nH]c3nccnc23)C1 C1CCC(C1)CC[*:1] O=C(N1CCC[C@@H](C1)c1n[nH]c2nccnc12)[*:1]
O=C(CCC1CCCC1)N1CCC[C@H](c2n[nH]c3nccnc23)C1 C1CCC(C1)[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)c1n[nH]c2nccnc12
O=C(CCC1CCCC1)N1CCC[C@H](c2n[nH]c3nccnc23)C1 C1CCC(C1)C[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1n[nH]c2nccnc12
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1ccccc1CO Fc1ccc(cc1)[*:1] CC(C)[C@@H](C[*:1])NC(=O)NCc1ccccc1CO
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1ccccc1CO CC(C)[*:1] O=C(NCc1ccccc1CO)N[C@H](Cc1ccc(F)cc1)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1ccccc1CO Fc1ccc(cc1)C[*:1] CC(C)[C@@H](NC(=O)NCc1ccccc1CO)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1ccccc1CO OCc1ccccc1[*:1] CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NC[*:1]
Cc1ccc(S(=O)(=O)NCCCC(=O)Nc2ccccc2O)cc1C Cc1ccc(cc1C)[*:1] O=C(CCCNS(=O)(=O)[*:1])Nc1ccccc1O
Cc1ccc(S(=O)(=O)NCCCC(=O)Nc2ccccc2O)cc1C Oc1ccccc1[*:1] Cc1ccc(cc1C)S(=O)(=O)NCCCC(=O)N[*:1]
CC(C)[NH2+][C@H]1CCOC[C@@H]1Cc1ccc(Cl)cc1Cl CC(C)[*:1] Clc1ccc(C[C@H]2COCC[C@@H]2[NH2+][*:1])c(Cl)c1
CCCc1ccc(-c2ccc(C#N)c(=O)[nH]2)cc1 CCC[*:1] N#Cc1ccc([nH]c1=O)-c1ccc(cc1)[*:1]
C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc[nH]n3)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1C[C@H](C)CN(C1)c1ccc(cc1[*:1])C(=O)Nc1nc[nH]n1
C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc[nH]n3)cc2[N+](=O)[O-])C1 O=C(Nc1nc[nH]n1)[*:1] C[C@H]1C[C@H](C)CN(C1)c1ccc(cc1[N+](=O)[O-])[*:1]
C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc[nH]n3)cc2[N+](=O)[O-])C1 C[C@H]1C[C@H](C)CN(C1)[*:1] O=C(Nc1nc[nH]n1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1c[nH]nc1[C@@H]1CCCN(c2cnccn2)C1 c1cnc(cn1)[*:1] Cc1c[nH]nc1[C@@H]1CCCN(C1)[*:1]
Cc1c[nH]nc1[C@@H]1CCCN(c2cnccn2)C1 Cc1c[nH]nc1[*:1] c1cnc(cn1)N1CCC[C@H](C1)[*:1]
O=C(CN1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=C(COc1ccc2CCCc2c1)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)COc1ccc2CCCc2c1)N[*:1]
O=C(CN1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1)Nc1ccc(F)cc1 c1cc2CCCc2cc1O[*:1] O=C(CN1CCN(CC1)C(=O)C[*:1])Nc1ccc(F)cc1
O=C(CN1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1)Nc1ccc(F)cc1 c1cc2CCCc2cc1[*:1] O=C(CN1CCN(CC1)C(=O)CO[*:1])Nc1ccc(F)cc1
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H](C)c2ccncc2)C1 c1cc(ccn1)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)N[C@@H](C)[*:1]
CCCCNC(=O)NCCc1ccc(-c2csc(C)n2)s1 CCCC[*:1] Cc1nc(cs1)-c1ccc(CCNC(=O)N[*:1])s1
CCCCNC(=O)NCCc1ccc(-c2csc(C)n2)s1 Cc1nc(cs1)[*:1] CCCCNC(=O)NCCc1ccc(s1)[*:1]
CCCCNC(=O)NCCc1ccc(-c2csc(C)n2)s1 CCC[*:1] Cc1nc(cs1)-c1ccc(CCNC(=O)NC[*:1])s1
O=[N+]([O-])c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1O O=[N+]([O-])[*:1] Oc1ccc(cc1[*:1])-c1ccc(/C=N/n2cnnc2)o1
O=[N+]([O-])c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1O C(=Nn1cnnc1)[*:1] O=[N+]([O-])c1cc(ccc1O)-c1ccc(o1)[*:1]
COCc1cc(OCc2cccc(F)c2)nc(N2CCOCC2)n1 Fc1cccc(c1)C[*:1] COCc1cc(nc(n1)N1CCOCC1)O[*:1]
COCc1cc(OCc2cccc(F)c2)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] COCc1cc(nc(n1)[*:1])OCc1cccc(F)c1
COCc1cc(OCc2cccc(F)c2)nc(N2CCOCC2)n1 Fc1cccc(c1)[*:1] COCc1cc(nc(n1)N1CCOCC1)OC[*:1]
COCc1cc(OCc2cccc(F)c2)nc(N2CCOCC2)n1 COC[*:1] Fc1cccc(c1)COc1cc(nc(n1)N1CCOCC1)[*:1]
CCc1ccc(C(=O)OCCc2c(C)n[nH]c2C)cc1[N+](=O)[O-] Cc1n[nH]c(C)c1[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)OCC[*:1]
CCc1ccc(C(=O)OCCc2c(C)n[nH]c2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])C(=O)OCCc1c(C)n[nH]c1C
O=C(NCCC[NH+]1CCC(c2ccc(F)cc2)CC1)C(F)(F)F O=C(N[*:1])C(F)(F)F Fc1ccc(cc1)C1CC[NH+](CCC[*:1])CC1
O=C(NCCC[NH+]1CCC(c2ccc(F)cc2)CC1)C(F)(F)F Fc1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCC(CC1)[*:1])C(F)(F)F
O=C(NCCC[NH+]1CCC(c2ccc(F)cc2)CC1)C(F)(F)F FC(F)(F)[*:1] O=C(NCCC[NH+]1CCC(CC1)c1ccc(F)cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)cc1 CC(C)C(=O)N[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CNc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)cc1 CC(=O)N[*:1] CC(C)C(=O)Nc1ccc(cc1)NCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CNc1ccc(cc1)NC(=O)[*:1]
Cc1nn(CC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCCCC4)cc1Br Cc1nn(cc1Br)C[*:1] Cc1nc2sc3CCCCCCc3c2c(=O)n1NC(=O)[*:1]
Cc1nn(CC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCCCC4)cc1Br Cc1nn(cc1Br)[*:1] Cc1nc2sc3CCCCCCc3c2c(=O)n1NC(=O)C[*:1]
Cc1cc(N)cc(C)c1S(=O)(=O)N[C@@H](C)c1ccco1 c1coc(c1)[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)N[C@@H](C)[*:1]
CCc1ccc([C@H](C)NC(=O)[C@H](C)[n+]2cc(CC)ccc2C)cc1 CCc1ccc(cc1)[*:1] CCc1ccc(C)[n+](c1)[C@@H](C)C(=O)N[C@@H](C)[*:1]
Cc1cc(N(CCC(F)(F)F)CC2CC2)nc(-c2ccccn2)n1 FC(F)(F)C[*:1] Cc1cc(nc(n1)-c1ccccn1)N(CC1CC1)C[*:1]
Cc1cc(N(CCC(F)(F)F)CC2CC2)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(nc(n1)[*:1])N(CCC(F)(F)F)CC1CC1
Cc1cc(N(CCC(F)(F)F)CC2CC2)nc(-c2ccccn2)n1 C1CC1C[*:1] Cc1cc(nc(n1)-c1ccccn1)N(CCC(F)(F)F)[*:1]
Cc1cc(N(CCC(F)(F)F)CC2CC2)nc(-c2ccccn2)n1 FC(F)(F)CC[*:1] Cc1cc(nc(n1)-c1ccccn1)N(CC1CC1)[*:1]
Cc1cc(N(CCC(F)(F)F)CC2CC2)nc(-c2ccccn2)n1 FC(F)(F)[*:1] Cc1cc(nc(n1)-c1ccccn1)N(CC[*:1])CC1CC1
Cc1cc(N(CCC(F)(F)F)CC2CC2)nc(-c2ccccn2)n1 C1CC1[*:1] Cc1cc(nc(n1)-c1ccccn1)N(CCC(F)(F)F)C[*:1]
CCn1ncnc1C[C@H](O)C(C)(C)OC COC(C)(C)[*:1] CCn1ncnc1C[C@H](O)[*:1]
COc1cccc(C(=O)n2ccn(S(=O)(=O)c3ccc(C)cc3)c2=O)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)n1ccn(c1=O)S(=O)(=O)[*:1]
COc1cccc(C(=O)n2ccn(S(=O)(=O)c3ccc(C)cc3)c2=O)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)n1ccn(C(=O)[*:1])c1=O
O=C(Cn1cnc([N+](=O)[O-])c1)c1cnc(N2CCCCC2)s1 C1CCN(CC1)[*:1] O=C(Cn1cnc(c1)[N+](=O)[O-])c1cnc(s1)[*:1]
O=C(Cn1cnc([N+](=O)[O-])c1)c1cnc(N2CCCCC2)s1 O=[N+]([O-])[*:1] O=C(Cn1cnc(c1)[*:1])c1cnc(s1)N1CCCCC1
Cc1ccc([C@@H]([NH2+]C(C)C)c2ccc(F)cn2)c(C)c1 CC(C)[*:1] Cc1ccc(c(C)c1)[C@@H]([NH2+][*:1])c1ccc(F)cn1
CC(C)Oc1cccc([C@@H]([NH3+])c2ccc(F)c(Cl)c2)c1 CC(C)[*:1] [NH3+][C@H](c1cccc(c1)O[*:1])c1ccc(F)c(Cl)c1
CC(C)Oc1cccc([C@@H]([NH3+])c2ccc(F)c(Cl)c2)c1 CC(C)O[*:1] [NH3+][C@H](c1cccc(c1)[*:1])c1ccc(F)c(Cl)c1
COc1ccc(-c2cc(NC(=O)c3ccc(F)cc3)ccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1[*:1])NC(=O)c1ccc(F)cc1
COc1ccc(-c2cc(NC(=O)c3ccc(F)cc3)ccc2OC)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(ccc1OC)NC(=O)[*:1]
CCC(CC)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 CCC(CC)[*:1] O=C(Nc1nc(cs1)-c1ccc(F)c(F)c1)[*:1]
CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C)c(C)c3)cn2)CC1 Cc1ccc(cc1C)[*:1] CC[NH+]1CCN(CC1)c1ccc(cn1)C[NH2+]C[*:1]
O=S(=O)(CC1CCC1)NC1(c2ccc(F)cc2F)CCOCC1 C1CC(C1)[*:1] O=S(=O)(C[*:1])NC1(CCOCC1)c1ccc(F)cc1F
O=S(=O)(CC1CCC1)NC1(c2ccc(F)cc2F)CCOCC1 C1CC(C1)C[*:1] O=S(=O)(NC1(CCOCC1)c1ccc(F)cc1F)[*:1]
O=C1CCC(c2ccccc2)(c2ccccc2)CN1CCc1noc(C2CC2)n1 C1CC1c1nc(no1)[*:1] O=C1CCC(CN1CC[*:1])(c1ccccc1)c1ccccc1
O=C1CCC(c2ccccc2)(c2ccccc2)CN1CCc1noc(C2CC2)n1 C1CC1[*:1] O=C1CCC(CN1CCc1noc(n1)[*:1])(c1ccccc1)c1ccccc1
O=C1CCC(c2ccccc2)(c2ccccc2)CN1CCc1noc(C2CC2)n1 c1ccc(cc1)[*:1] O=C1CCC(CN1CCc1noc(n1)C1CC1)(c1ccccc1)[*:1]
O=C1CCC(c2ccccc2)(c2ccccc2)CN1CCc1noc(C2CC2)n1 C1CC1c1nc(C[*:1])no1 O=C1CCC(CN1C[*:1])(c1ccccc1)c1ccccc1
CCS[C@H](C(=O)NCc1cc(F)cc(OC)c1)C(C)C CCS[*:1] COc1cc(F)cc(c1)CNC(=O)[C@H](C(C)C)[*:1]
CCS[C@H](C(=O)NCc1cc(F)cc(OC)c1)C(C)C CC(C)[*:1] CCS[C@H](C(=O)NCc1cc(F)cc(c1)OC)[*:1]
COc1ccc(C2(CNS(=O)(=O)c3cnn(C)c3)CCCCC2)cc1 COc1ccc(cc1)[*:1] Cn1cc(cn1)S(=O)(=O)NCC1(CCCCC1)[*:1]
COc1ccc(C2(CNS(=O)(=O)c3cnn(C)c3)CCCCC2)cc1 Cn1cc(cn1)[*:1] COc1ccc(cc1)C1(CCCCC1)CNS(=O)(=O)[*:1]
C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1F)C1CCCC1 C1CCC(C1)[*:1] C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1F)[*:1]
CCN(C)c1ccc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)cc1 CCN(C)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)c1ccc(cc1)[*:1]
CCN(C)c1ccc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)cc1 CC(C)(C)[*:1] CCN(C)c1ccc(cc1)C(=O)NC1CCC(CC1)C(=O)O[*:1]
CCN(C)c1ccc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)cc1 CC(C)(C)OC(=O)[*:1] CCN(C)c1ccc(cc1)C(=O)NC1CCC(CC1)[*:1]
COC(=O)c1ccccc1NC(=O)Cn1c(SC)nc2ccsc2c1=O COC(=O)[*:1] CSc1nc2ccsc2c(=O)n1CC(=O)Nc1ccccc1[*:1]
Cc1c(CC(=O)[O-])c(=O)oc2cc(OCc3c(F)cccc3Cl)ccc12 O=C([O-])C[*:1] Cc1c(c(=O)oc2cc(ccc12)OCc1c(F)cccc1Cl)[*:1]
Cc1c(CC(=O)[O-])c(=O)oc2cc(OCc3c(F)cccc3Cl)ccc12 Fc1cccc(Cl)c1[*:1] Cc1c(CC(=O)[O-])c(=O)oc2cc(ccc12)OC[*:1]
Cc1c(CC(=O)[O-])c(=O)oc2cc(OCc3c(F)cccc3Cl)ccc12 O=C([O-])[*:1] Cc1c(C[*:1])c(=O)oc2cc(ccc12)OCc1c(F)cccc1Cl
CCOc1ccccc1C(=O)N1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1 CCO[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)c1ccccc1[*:1])[C@@H]1CCS(=O)(=O)C1
CCOc1ccccc1C(=O)N1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1 CCOc1ccccc1[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)C[C@H](O)C(C)(C)[NH+]1CCCCCC1 CC(C)C[*:1] CC(C)([C@@H](O)[*:1])[NH+]1CCCCCC1
CC(C)C[C@H](O)C(C)(C)[NH+]1CCCCCC1 CC(C)[*:1] CC(C)([C@@H](O)C[*:1])[NH+]1CCCCCC1
C[C@H]([NH2+]Cc1cccnc1)c1ccc2c(c1)OCCO2 c1cncc(c1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc2OCCOc2c1
O=C(C1CC1)N1CC(c2nc(-c3ccccn3)no2)C1 C1CC1[*:1] O=C(N1CC(C1)c1nc(no1)-c1ccccn1)[*:1]
O=C(C1CC1)N1CC(c2nc(-c3ccccn3)no2)C1 c1ccc(nc1)[*:1] O=C(C1CC1)N1CC(C1)c1nc(no1)[*:1]
CC(C)OC(=O)Cn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21 c1cncc(c1)[*:1] CC(C)OC(=O)Cn1c(CN(C)C(=O)[*:1])nc2ccccc21
CC(C)OC(=O)Cn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21 CC(C)OC(=O)[*:1] CN(Cc1nc2ccccc2n1C[*:1])C(=O)c1cccnc1
CC(C)OC(=O)Cn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21 CC(C)[*:1] CN(Cc1nc2ccccc2n1CC(=O)O[*:1])C(=O)c1cccnc1
CC(C)OC(=O)Cn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21 CC(C)OC(=O)C[*:1] CN(Cc1nc2ccccc2n1[*:1])C(=O)c1cccnc1
Cc1cc(C)c(S(=O)(=O)NCC[NH+]2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCC[NH+]1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)NCC[NH+]2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CC[NH+](CCNS(=O)(=O)[*:1])CC1
Cc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1cc(ccc1[*:1])C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1
Cc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)ccc1S(N)(=O)=O Clc1cccc(c1)[*:1] Cc1cc(ccc1S(N)(=O)=O)C(=O)N[C@@H]1C[C@@H]1[*:1]
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nn(c(O)c21)[*:1]
Cc1ccc([C@H]2CN(C(=O)NCCc3cccc(O)c3)CCO2)c(C)c1 Oc1cccc(c1)C[*:1] Cc1ccc(c(C)c1)[C@H]1CN(CCO1)C(=O)NC[*:1]
Cc1ccc([C@H]2CN(C(=O)NCCc3cccc(O)c3)CCO2)c(C)c1 Oc1cccc(c1)[*:1] Cc1ccc(c(C)c1)[C@H]1CN(CCO1)C(=O)NCC[*:1]
Cc1ccc([C@H]2CN(C(=O)NCCc3cccc(O)c3)CCO2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NCCc1cccc(O)c1)N1CCO[C@H](C1)[*:1]
O=C1C[C@H](C(=O)N2CCCC2)CN1CCc1ccccc1 O=C(N1CCCC1)[*:1] O=C1C[C@H](CN1CCc1ccccc1)[*:1]
O=C1C[C@H](C(=O)N2CCCC2)CN1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](CN1CC[*:1])C(=O)N1CCCC1
O=C1C[C@H](C(=O)N2CCCC2)CN1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1CCCC1
CNS(=O)(=O)c1ccc(C)c(NC(=O)/C=C\c2cccc(OC)c2)c1 CNS(=O)(=O)[*:1] COc1cccc(/C=C\C(=O)Nc2cc(ccc2C)[*:1])c1
CNS(=O)(=O)c1ccc(C)c(NC(=O)/C=C\c2cccc(OC)c2)c1 COc1cccc(c1)[*:1] CNS(=O)(=O)c1ccc(C)c(c1)NC(=O)C=C[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC(C)(C)C3)c3c(C)noc3n2)cc1 Cc1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)N3CCC(C)(C)C3)c12)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ccc(F)cc4)n3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(c1csc(n1)-c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ccc(F)cc4)n3)CC2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)c1csc(n1)[*:1]
CC(C)COC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 CC(C)[*:1] O=C(CSc1nnc2c(n1)[nH]c1ccccc12)OC[*:1]
CC(C)COC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 CC(C)COC(=O)[*:1] c1ccc2c(c1)[nH]c1nc(nnc12)SC[*:1]
CC(C)COC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 CC(C)C[*:1] O=C(CSc1nnc2c(n1)[nH]c1ccccc12)O[*:1]
COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccsc2)c1 c1cc(cs1)[*:1] COc1ccc(OC)c(c1)-n1cnc2c1N=C(O)C[C@H]2[*:1]
CC[C@@H]1COCCN1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1COCCN1C(=O)NC[C@H]1CCO[C@H]1[*:1]
COCc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 COC[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(cc1)[*:1]
CCc1cc(C(=O)OC)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 COC(=O)[*:1] CCc1cc(c(s1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)[*:1]
O=c1c2cc(Cl)ccc2ncn1CN1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=c1c2cc(Cl)ccc2ncn1CN1CCN(CC1)[*:1]
C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1ccc2cc(ccc2c1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)Cc1ccc2OCOc2c1
C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(CC1)[*:1]
C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(CC1)C[*:1]
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ncc(C)s2)c[nH+]1 Cc1cnc(s1)[C@H](C)[*:1] CCN(CC)c1ccc(c[nH+]1)CNC(=O)N[*:1]
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ncc(C)s2)c[nH+]1 CCN(CC)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NCc1ccc([nH+]c1)[*:1]
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ncc(C)s2)c[nH+]1 Cc1cnc(s1)[*:1] CCN(CC)c1ccc(c[nH+]1)CNC(=O)N[C@@H](C)[*:1]
O=C(CNC(=O)c1cnc([C@H]2CCCO2)s1)OC1CCCCC1 C1CCC(CC1)[*:1] O=C(CNC(=O)c1cnc(s1)[C@H]1CCCO1)O[*:1]
COCCCOc1cccc(NC(=O)N2CCc3cc(F)ccc3[C@H]2C)c1 COCCC[*:1] C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(c1)O[*:1]
COCCCOc1cccc(NC(=O)N2CCc3cc(F)ccc3[C@H]2C)c1 COCCCO[*:1] C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(c1)[*:1]
COCCCOc1cccc(NC(=O)N2CCc3cc(F)ccc3[C@H]2C)c1 COC[*:1] C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(c1)OCC[*:1]
COCCCOc1cccc(NC(=O)N2CCc3cc(F)ccc3[C@H]2C)c1 COCC[*:1] C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(c1)OC[*:1]
C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1cccs1 c1csc(c1)[*:1] C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)[*:1]
O=[N+]([O-])c1cc(I)ccc1SC[C@H](O)CO OC[C@@H](O)C[*:1] O=[N+]([O-])c1cc(I)ccc1S[*:1]
O=[N+]([O-])c1cc(I)ccc1SC[C@H](O)CO OC[C@@H](O)[*:1] O=[N+]([O-])c1cc(I)ccc1SC[*:1]
O=[N+]([O-])c1cc(I)ccc1SC[C@H](O)CO O=[N+]([O-])[*:1] OC[C@@H](O)CSc1ccc(I)cc1[*:1]
C[C@@H]1C(=O)NC(=O)C[C@@H]1c1ccc(C2CC2)cc1 C1CC1[*:1] C[C@@H]1C(=O)NC(=O)C[C@@H]1c1ccc(cc1)[*:1]
CC[C@H](C#N)NC(=O)CN(CCc1ccccc1)C(C)=O c1ccc(cc1)C[*:1] CC[C@H](C#N)NC(=O)CN(C[*:1])C(C)=O
CC[C@H](C#N)NC(=O)CN(CCc1ccccc1)C(C)=O c1ccc(cc1)[*:1] CC[C@H](C#N)NC(=O)CN(CC[*:1])C(C)=O
O=C(C=C1CCSCC1)N(Cc1ccco1)CC(F)(F)F c1coc(c1)[*:1] O=C(C=C1CCSCC1)N(CC(F)(F)F)C[*:1]
O=C(C=C1CCSCC1)N(Cc1ccco1)CC(F)(F)F c1coc(c1)C[*:1] O=C(C=C1CCSCC1)N(CC(F)(F)F)[*:1]
O=C(C=C1CCSCC1)N(Cc1ccco1)CC(F)(F)F FC(F)(F)C[*:1] O=C(C=C1CCSCC1)N(Cc1ccco1)[*:1]
O=C(C=C1CCSCC1)N(Cc1ccco1)CC(F)(F)F FC(F)(F)[*:1] O=C(C=C1CCSCC1)N(Cc1ccco1)C[*:1]
Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NC[C@@H]1CCCO1
Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])Nc1ccccc1C(=O)NC[C@@H]1CCCO1
Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 Cc1cccc(c1)OC[*:1] O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[*:1]
C[C@H](NC(=S)NNC(=O)/C=C/c1cccc(C#N)c1)C1CC1 C1CC1[*:1] C[C@H](NC(=S)NNC(=O)/C=C/c1cccc(C#N)c1)[*:1]
C[C@H](NC(=S)NNC(=O)/C=C/c1cccc(C#N)c1)C1CC1 C[C@H](C1CC1)[*:1] N#Cc1cccc(/C=C/C(=O)NNC(=S)N[*:1])c1
Cn1c(CO)cnc1SCC(=O)Nc1ccccc1OC(F)F FC(F)O[*:1] Cn1c(cnc1SCC(=O)Nc1ccccc1[*:1])CO
Cn1c(CO)cnc1SCC(=O)Nc1ccccc1OC(F)F FC(F)[*:1] Cn1c(cnc1SCC(=O)Nc1ccccc1O[*:1])CO
Cc1noc(C2CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)n1 Cc1noc(n1)[*:1] C[C@H](Sc1ccccc1)C(=O)N1CCC(CC1)[*:1]
Cc1noc(C2CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)[C@H](C)S[*:1]
Cc1noc(C2CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)n1 c1ccc(cc1)S[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)[C@H](C)[*:1]
COc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1Br Clc1cccc(c1)[*:1] COc1ccc(cc1Br)NC(=S)NC(=O)[*:1]
C[C@@H](O)c1cnc([C@H]2CN(C)CCO2)s1 C[C@@H](O)[*:1] CN1CCO[C@H](C1)c1ncc(s1)[*:1]
O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCCCC1 Fc1cccc(c1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCCCC1
C[C@@H]1CCCC[C@H]1[NH2+]CCCOC1CCOCC1 C1CC(CCO1)[*:1] C[C@@H]1CCCC[C@H]1[NH2+]CCCO[*:1]
CCc1c(C)nn(CCNC(=O)c2cn[nH]n2)c1C c1n[nH]nc1[*:1] CCc1c(C)nn(CCNC(=O)[*:1])c1C
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CC)c1 C=CC[*:1] CC[C@H]1CCCCN1C(=O)c1cccc(c1)S(=O)(=O)N(c1ccccc1Cl)[*:1]
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CC)c1 CC[C@H]1CCCCN1C(=O)[*:1] C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(c1)[*:1]
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CC)c1 Clc1ccccc1[*:1] C=CCN(S(=O)(=O)c1cccc(c1)C(=O)N1CCCC[C@@H]1CC)[*:1]
COc1ccccc1NC(=O)[C@H](C)Sc1nc2sccc2c(=O)n1C COc1ccccc1[*:1] C[C@H](Sc1nc2sccc2c(=O)n1C)C(=O)N[*:1]
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](CC)c2ccncc2)cc1 c1cc(ccn1)[*:1] C#CCOc1ccc(cc1)NC(=O)C(=O)N[C@@H](CC)[*:1]
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](CC)c2ccncc2)cc1 C#CCO[*:1] CC[C@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccncc1
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](CC)c2ccncc2)cc1 C#CC[*:1] CC[C@H](NC(=O)C(=O)Nc1ccc(cc1)O[*:1])c1ccncc1
Cc1ccn2/c(=N/C(=O)C[C@H](C)C(C)C)[nH]nc2c1 CC(C)[C@@H](C)C[*:1] Cc1ccn2/c(=N/C(=O)[*:1])[nH]nc2c1
Cc1ccn2/c(=N/C(=O)C[C@H](C)C(C)C)[nH]nc2c1 CC(C)[C@@H](C)[*:1] Cc1ccn2/c(=N/C(=O)C[*:1])[nH]nc2c1
Cc1ccn2/c(=N/C(=O)C[C@H](C)C(C)C)[nH]nc2c1 CC(C)[*:1] Cc1ccn2/c(=N/C(=O)C[C@H](C)[*:1])[nH]nc2c1
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C[C@H]3CCCO3)s2)cc1 C1CO[C@H](C1)C[*:1] COc1ccc(cc1)-c1nc(C)c(s1)[C@@H](C)NC(=O)[*:1]
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C[C@H]3CCCO3)s2)cc1 COc1ccc(cc1)[*:1] Cc1nc(sc1[C@@H](C)NC(=O)C[C@H]1CCCO1)[*:1]
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)C[C@H]3CCCO3)s2)cc1 C1CO[C@H](C1)[*:1] COc1ccc(cc1)-c1nc(C)c(s1)[C@@H](C)NC(=O)C[*:1]
COCCNC(=O)c1ccc2c(c1)OCCCO2 COCC[*:1] O=C(N[*:1])c1ccc2OCCCOc2c1
COCCNC(=O)c1ccc2c(c1)OCCCO2 COC[*:1] O=C(NC[*:1])c1ccc2OCCCOc2c1
COc1ccc(NC(=O)NC2(CO)CCCC2)cc1OC1CCCC1 OCC1(CCCC1)[*:1] COc1ccc(cc1OC1CCCC1)NC(=O)N[*:1]
COc1ccc(NC(=O)NC2(CO)CCCC2)cc1OC1CCCC1 C1CCC(C1)[*:1] COc1ccc(cc1O[*:1])NC(=O)NC1(CO)CCCC1
COc1ccc(NC(=O)NC2(CO)CCCC2)cc1OC1CCCC1 C1CCC(C1)O[*:1] COc1ccc(cc1[*:1])NC(=O)NC1(CO)CCCC1
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@H](C)c1ccccc1 O=S1(=O)CC[C@H](C1)[*:1] CCN(CC(=O)N[*:1])C(=O)C[C@H](C)c1ccccc1
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[*:1]
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[C@H](C)[*:1]
CN(Cc1ccc(OC(F)F)cc1)C(=O)N[C@H]1CC=CCC1 FC(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)N[C@H]1CC=CCC1
CN(Cc1ccc(OC(F)F)cc1)C(=O)N[C@H]1CC=CCC1 FC(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)N[C@H]1CC=CCC1
CCO[C@H](CC)C(=O)N[C@H]1CCCc2ccc(F)cc21 CCO[*:1] CC[C@H](C(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
CCO[C@H](CC)C(=O)N[C@H]1CCCc2ccc(F)cc21 CCO[C@H](CC)[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)[*:1]
C[C@H]1CO[C@H](CO)CN1Cc1ccc(CSC(F)F)o1 FC(F)[*:1] C[C@H]1CO[C@H](CO)CN1Cc1ccc(CS[*:1])o1
C[C@H]1CO[C@H](CO)CN1Cc1ccc(CSC(F)F)o1 FC(F)S[*:1] C[C@H]1CO[C@H](CO)CN1Cc1ccc(C[*:1])o1
C[C@H]1CO[C@H](CO)CN1Cc1ccc(CSC(F)F)o1 FC(F)SC[*:1] C[C@H]1CO[C@H](CO)CN1Cc1ccc(o1)[*:1]
COCCc1ccc(OC(=O)c2nnn(-c3cccc4ncccc34)c2C)cc1 COC[*:1] Cc1c(nnn1-c1cccc2ncccc12)C(=O)Oc1ccc(cc1)C[*:1]
COCCc1ccc(OC(=O)c2nnn(-c3cccc4ncccc34)c2C)cc1 COCC[*:1] Cc1c(nnn1-c1cccc2ncccc12)C(=O)Oc1ccc(cc1)[*:1]
Cc1nc(C[NH+]2CCC(CNc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)oc1C Cc1nc(oc1C)[*:1] Cn1c(NCC2CC[NH+](CC2)C[*:1])c(C#N)c(=O)n(C)c1=O
Cc1nc(C[NH+]2CCC(CNc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)oc1C Cc1nc(C[*:1])oc1C Cn1c(NCC2CC[NH+](CC2)[*:1])c(C#N)c(=O)n(C)c1=O
CCn1cc(CN(C)C(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)c(C)n1 CCn1cc(c(C)n1)[*:1] Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(C)C[*:1]
CC(=O)c1cccc(OCC(=O)Nc2ccc3c(C)n[nH]c3c2)c1 CC(=O)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)COc1cccc(c1)[*:1]
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cnc(C2CC2)s1 C1CC1[*:1] C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cnc(s1)[*:1]
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cnc(C2CC2)s1 C[C@@H](S(C)(=O)=O)[*:1] C[C@@H](N(C)Cc1cnc(s1)C1CC1)[*:1]
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cnc(C2CC2)s1 CS(=O)(=O)[*:1] C[C@@H]([C@@H](C)[*:1])N(C)Cc1cnc(s1)C1CC1
CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1 CCN(CC)C(=O)[*:1] C[C@@H]1CN(C[C@@H](C)O1)[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1OCC[C@H]1C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C CC(C)(C)[*:1] C[C@H]1OCC[C@H]1C(=O)N[C@@H](c1ccc(F)cc1F)[*:1]
CCCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 CCCNC(=O)[*:1] c1ccc(cc1)-c1cc(sc1N1CCOCC1)[*:1]
CCCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 c1ccc(cc1)[*:1] CCCNC(=O)c1cc(c(s1)N1CCOCC1)[*:1]
CCCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 CCC[*:1] O=C(N[*:1])c1cc(-c2ccccc2)c(s1)N1CCOCC1
CCCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 C1CN(CCO1)[*:1] CCCNC(=O)c1cc(-c2ccccc2)c(s1)[*:1]
CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(C)c3)c2)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)c1cccc(C)c1)NC(=O)[*:1]
CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(C)c3)c2)cc1 Cc1cccc(c1)[*:1] CCOc1ccc(cc1)C(=O)Nc1ccc(OC)c(c1)NC(=O)[*:1]
CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(C)c3)c2)cc1 Cc1cccc(c1)C(=O)N[*:1] CCOc1ccc(cc1)C(=O)Nc1ccc(OC)c(c1)[*:1]
CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(C)c3)c2)cc1 CCO[*:1] COc1ccc(cc1NC(=O)c1cccc(C)c1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N1CC[C@@H](C)[C@H](O)C1
C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O Clc1ccc(c(Cl)c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O)[*:1]
C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O c1ccc2c(c[nH]c2c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc(Cl)cc1Cl
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc2c(c1)CCC(=O)N2 Clc1ccc(cc1)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)c1ccc2NC(=O)CCc2c1)[*:1]
O=c1[nH]nc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)[nH]1 O=c1[nH]nc(C[*:1])[nH]1 O[C@@H](C[C@H]1CCCN1[*:1])c1ccc(F)cc1
O=c1[nH]nc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)[nH]1 O=c1[nH]nc([nH]1)[*:1] O[C@@H](C[C@H]1CCCN1C[*:1])c1ccc(F)cc1
O=c1[nH]nc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)[nH]1 Fc1ccc(cc1)[*:1] O=c1[nH]nc(CN2CCC[C@@H]2C[C@H](O)[*:1])[nH]1
Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1ccco1 c1coc(c1)[*:1] Cc1ccc2c(OC[C@H]2[NH2+]C[*:1])c1C
Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1ccco1 c1coc(c1)C[*:1] Cc1ccc2c(OC[C@H]2[NH2+][*:1])c1C
COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc[nH]1 c1c[nH]c(c1)[*:1] COc1ccccc1[C@@H](C)N(C)C(=O)[*:1]
O=C(NCc1ccccn1)C(=O)Nc1cccc(Oc2ccncc2)c1 c1ccc(nc1)[*:1] O=C(NC[*:1])C(=O)Nc1cccc(c1)Oc1ccncc1
O=C(NCc1ccccn1)C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)[*:1] O=C(NCc1ccccn1)C(=O)Nc1cccc(c1)O[*:1]
O=C(NCc1ccccn1)C(=O)Nc1cccc(Oc2ccncc2)c1 c1ccc(C[*:1])nc1 O=C(Nc1cccc(c1)Oc1ccncc1)C(=O)N[*:1]
O=C(NCc1ccccn1)C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)O[*:1] O=C(NCc1ccccn1)C(=O)Nc1cccc(c1)[*:1]
CCc1ccc(OCC(=O)N[C@H](C)C2CC2)cc1 C1CC1[*:1] CCc1ccc(cc1)OCC(=O)N[C@H](C)[*:1]
CCc1ccc(OCC(=O)N[C@H](C)C2CC2)cc1 C[C@H](C1CC1)[*:1] CCc1ccc(cc1)OCC(=O)N[*:1]
C/C=C(/C)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 C/C=C(/C)C(=O)N[*:1] C[NH+](C)CCNC(=O)c1ccc(cc1)C[*:1]
C/C=C(/C)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 CC=C(C)[*:1] C[NH+](C)CCNC(=O)c1ccc(cc1)CNC(=O)[*:1]
O=C(NCc1cccc(OCC2CCC2)c1)c1ccc(-c2n[nH]c3ncccc23)[nH]1 C1CC(C1)C[*:1] O=C(NCc1cccc(c1)O[*:1])c1ccc([nH]1)-c1n[nH]c2ncccc12
O=C(NCc1cccc(OCC2CCC2)c1)c1ccc(-c2n[nH]c3ncccc23)[nH]1 c1cnc2[nH]nc(c2c1)[*:1] O=C(NCc1cccc(c1)OCC1CCC1)c1ccc([nH]1)[*:1]
O=C(NCc1cccc(OCC2CCC2)c1)c1ccc(-c2n[nH]c3ncccc23)[nH]1 C1CC(C1)CO[*:1] O=C(NCc1cccc(c1)[*:1])c1ccc([nH]1)-c1n[nH]c2ncccc12
O=C(NCc1cccc(OCC2CCC2)c1)c1ccc(-c2n[nH]c3ncccc23)[nH]1 C1CC(C1)[*:1] O=C(NCc1cccc(c1)OC[*:1])c1ccc([nH]1)-c1n[nH]c2ncccc12
CN1CCc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2C1 Clc1ccc(cc1)[*:1] CN1CCc2nc(NC(=O)[C@@H]3CCCN(C3)C(=O)[*:1])sc2C1
CCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C[C@H]2CSc3nc(C)cc(=O)n32)n1 CCc1cc(=O)[nH]c(n1)[*:1] Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1cc(nn1[*:1])-c1cccs1
CCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C[C@H]2CSc3nc(C)cc(=O)n32)n1 c1csc(c1)[*:1] CCc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)C[C@H]1CSc2nc(C)cc(=O)n21)[*:1]
COc1ccc(Cc2nnc(NC(=O)NCCc3ccccc3)o2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)Cc1nnc(NC(=O)NCC[*:1])o1
COc1ccc(Cc2nnc(NC(=O)NCCc3ccccc3)o2)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)Cc1nnc(NC(=O)N[*:1])o1
COc1ccc(Cc2nnc(NC(=O)NCCc3ccccc3)o2)cc1 COc1ccc(cc1)[*:1] O=C(NCCc1ccccc1)Nc1nnc(C[*:1])o1
COc1ccc(Cc2nnc(NC(=O)NCCc3ccccc3)o2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)Cc1nnc(NC(=O)NC[*:1])o1
CC(C)C1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 CC(C)[*:1] CN1CC[NH+](CCCCNC(=O)N2CCC(CC2)[*:1])CC1
Cc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)[nH]n2)cc1C Cc1ccc(cc1C)[*:1] Cc1cc(O)c(cc1C)-c1cc(n[nH]1)C(=O)N[*:1]
C=CCN1C(=O)S/C(=C\c2ccc(OC(C)C)c(Cl)c2)C1=O CC(C)O[*:1] C=CCN1C(=O)S/C(=C\c2ccc(c(Cl)c2)[*:1])C1=O
C=CCN1C(=O)S/C(=C\c2ccc(OC(C)C)c(Cl)c2)C1=O CC(C)[*:1] C=CCN1C(=O)S/C(=C\c2ccc(O[*:1])c(Cl)c2)C1=O
C=CCN1C(=O)S/C(=C\c2ccc(OC(C)C)c(Cl)c2)C1=O C=CC[*:1] CC(C)Oc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1Cl
Cc1nnc(C[NH+](Cc2c(F)cccc2N2CCCC2)C(C)(C)C)o1 CC(C)(C)[*:1] Cc1nnc(C[NH+](Cc2c(F)cccc2N2CCCC2)[*:1])o1
Cc1nnc(C[NH+](Cc2c(F)cccc2N2CCCC2)C(C)(C)C)o1 Cc1nnc(o1)[*:1] CC(C)(C)[NH+](Cc1c(F)cccc1N1CCCC1)C[*:1]
Cc1nnc(C[NH+](Cc2c(F)cccc2N2CCCC2)C(C)(C)C)o1 C1CCN(C1)[*:1] Cc1nnc(C[NH+](Cc2c(F)cccc2[*:1])C(C)(C)C)o1
O=C(NCc1nnc2ccccn12)Nc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NCc1nnc2ccccn12)Nc1cnn(c1)[*:1]
CN(Cc1ncn(-c2ccccc2)n1)CC(C)(C)CN1CCOCC1 c1ccc(cc1)[*:1] CN(Cc1ncn(n1)[*:1])CC(C)(C)CN1CCOCC1
CN(Cc1ncn(-c2ccccc2)n1)CC(C)(C)CN1CCOCC1 C1CN(CCO1)[*:1] CN(Cc1ncn(n1)-c1ccccc1)CC(C)(C)C[*:1]
CN(Cc1ncn(-c2ccccc2)n1)CC(C)(C)CN1CCOCC1 C1CN(CCO1)C[*:1] CN(Cc1ncn(n1)-c1ccccc1)CC(C)(C)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCCC2(C)C)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@@H]1CCCC1(C)C)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@H]2C[C@H]2C)c1 CC(=O)N[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@H]2C[C@H]2C)c1 C[C@@H]1C[C@@H]1[*:1] CC(=O)Nc1cccc(c1)NC(=O)[*:1]
Cc1nn(C)c(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)c(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1[*:1]
Cc1nn(C)c(N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] Clc1ccc(cc1)[*:1] Cc1nn(C)c(N[C@@H]2CCO[C@@H]2[*:1])c1[N+](=O)[O-]
C[C@H](Cn1cccn1)Nc1sccc1[N+](=O)[O-] c1cnn(c1)[*:1] C[C@H](C[*:1])Nc1sccc1[N+](=O)[O-]
C[C@H](Cn1cccn1)Nc1sccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](Cn1cccn1)Nc1sccc1[*:1]
C[C@@H](NC(=O)c1ccc(-n2cccc2)nc1)c1ccc(-n2cccn2)cc1 c1ccn(c1)[*:1] C[C@@H](NC(=O)c1ccc(nc1)[*:1])c1ccc(cc1)-n1cccn1
C[C@@H](NC(=O)c1ccc(-n2cccc2)nc1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@@H](NC(=O)c1ccc(nc1)-n1cccc1)c1ccc(cc1)[*:1]
CC[C@H]1CC[C@@H](N2CCO[C@H](c3nccs3)C2)C1 c1csc(n1)[*:1] CC[C@H]1CC[C@H](C1)N1CCO[C@H](C1)[*:1]
CN(Cc1ccccc1)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C
CN(Cc1ccccc1)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C c1ccc(cc1)C[*:1] CN(C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
CC(C)N1C[C@@H](C(=O)[O-])CC1=O O=C([O-])[*:1] CC(C)N1C[C@@H](CC1=O)[*:1]
CC(C)N1C[C@@H](C(=O)[O-])CC1=O CC(C)[*:1] O=C([O-])[C@H]1CC(=O)N(C1)[*:1]
CC(C)C[C@H](C)N1C(=O)c2ccc(N)cc2C1=O CC(C)C[C@H](C)[*:1] Nc1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC(C)C[C@H](C)N1C(=O)c2ccc(N)cc2C1=O CC(C)C[*:1] C[C@H](N1C(=O)c2ccc(N)cc2C1=O)[*:1]
CC(C)C[C@H](C)N1C(=O)c2ccc(N)cc2C1=O CC(C)[*:1] C[C@@H](C[*:1])N1C(=O)c2ccc(N)cc2C1=O
CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2nnc(C)c(=O)n2N)cc1 CCc1ccc(cc1)[*:1] Cc1nnc(S[C@H](C)C(=O)N[C@H](C)[*:1])n(N)c1=O
CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccccc1 CC(C)(C)[*:1] O=C(O[*:1])N1CCNC[C@@H]1c1ccccc1
CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCNC[C@H]1[*:1]
Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc12 Cc1cccc2sc(nc12)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)N(Cc1cccnc1)[*:1]
Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc12 c1cncc(c1)[*:1] Cc1cccc2sc(nc12)N(C[*:1])C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc12 O=[N+]([O-])[*:1] Cc1cccc2sc(nc12)N(Cc1cccnc1)C(=O)c1ccc(c(c1)[*:1])N1CCOCC1
Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc12 C1CN(CCO1)[*:1] Cc1cccc2sc(nc12)N(Cc1cccnc1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc12 c1cncc(c1)C[*:1] Cc1cccc2sc(nc12)N(C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)[*:1]
Cc1c(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1C[C@@H](C)O[C@@H](C1)c1ccc(F)cc1
Cc1c(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cnn1C(C)C Fc1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)N1C[C@@H](C)O[C@H](C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)[C@H](C)NC(=O)/C=C/c2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)[C@H](C)NC(=O)C=C[*:1]
COC(=O)[C@]1(F)CCN(C(=O)[C@H](C)NC(=O)/C=C/c2ccccc2)C1 COC(=O)[*:1] C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)[C@H](C)NC(=O)/C=C/c2ccccc2)C1 C(=C[*:1])c1ccccc1 COC(=O)[C@]1(F)CCN(C1)C(=O)[C@H](C)NC(=O)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)C=C2CCCCC2)C1 CS(=O)(=O)[*:1] O=C(C=C1CCCCC1)N[C@@H]1CCC[C@@H](C1)[*:1]
CCOc1nc(NCC(C)(C)S(C)(=O)=O)ccc1N CS(=O)(=O)[*:1] CCOc1nc(ccc1N)NCC(C)(C)[*:1]
CCOc1nc(NCC(C)(C)S(C)(=O)=O)ccc1N CCO[*:1] CC(C)(CNc1ccc(N)c(n1)[*:1])S(C)(=O)=O
Cc1nc2ccc(NC(=O)C(=O)NCCc3ccc(C(F)(F)F)cc3)cc2o1 FC(F)(F)[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)NCCc1ccc(cc1)[*:1]
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 c1cc2OCCOc2cc1[*:1] Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 c1coc(c1)[*:1] Cc1noc(C=C[*:1])c1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2OCCOc2c1
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 C(=C[*:1])c1ccco1 Cc1noc(c1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2OCCOc2c1)[*:1]
CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)COc2ccccc2)n1 c1ccc(cc1)O[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)C[*:1])-c1ccco1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)COc2ccccc2)n1 c1coc(c1)[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)COc1ccccc1)[*:1]
CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)COc2ccccc2)n1 c1ccc(cc1)OC[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)[*:1])-c1ccco1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)COc2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)CO[*:1])-c1ccco1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)COc2ccccc2)n1 CC(C)[*:1] O=C(COc1ccccc1)Nc1cc(nn1-c1nc(cc(=O)[nH]1)[*:1])-c1ccco1
Cc1nn(C(C)C)c(C)c1[C@H]1CC(=O)Nc2cc(N3CCNC3=O)ccc21 CC(C)[*:1] Cc1nn(c(C)c1[C@H]1CC(=O)Nc2cc(ccc21)N1CCNC1=O)[*:1]
Cc1nn(C(C)C)c(C)c1[C@H]1CC(=O)Nc2cc(N3CCNC3=O)ccc21 O=C1NCCN1[*:1] Cc1nn(c(C)c1[C@H]1CC(=O)Nc2cc(ccc21)[*:1])C(C)C
O=C(CN1C(=O)CC2(CCCCC2)C1=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1C(=O)CC2(CCCCC2)C1=O)NCC[*:1]
O=C(CN1C(=O)CC2(CCCCC2)C1=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CN1C(=O)CC2(CCCCC2)C1=O)NC[*:1]
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] Cc1nc([nH]c(=O)c1CCC(=O)N[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc2c(c1)CCC2 C1CN(CCO1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)Nc1ccc2CCCc2c1)[*:1]
O=C(Nc1cccc(F)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(Nc1cccc(F)c1)N1CC[NH+](CC1)C[*:1]
O=C(Nc1cccc(F)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 Fc1cccc(c1)[*:1] O=C(N[*:1])N1CC[NH+](C/C=C/c2ccccc2)CC1
O=C(Nc1cccc(F)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)N1CC[NH+](CC=C[*:1])CC1
C#Cc1cccc(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1 C#Cc1cccc(c1)[*:1] O=C(N[*:1])N1CCO[C@H](C1)c1ccc(Br)cc1
C#Cc1cccc(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1 Brc1ccc(cc1)[*:1] C#Cc1cccc(c1)NC(=O)N1CCO[C@@H](C1)[*:1]
CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[C@@H]2c2ccc[nH]2)CC1 c1c[nH]c(c1)[*:1] CCN1CC[NH+](CC1)C[C@@H](C)CNC(=O)N1CCC[C@H]1[*:1]
NC(=O)CCn1c(C2CC2)nnc1[S@](=O)Cc1ccc(F)c(F)c1 NC(=O)CC[*:1] O=[S@](Cc1ccc(F)c(F)c1)c1nnc(C2CC2)n1[*:1]
NC(=O)CCn1c(C2CC2)nnc1[S@](=O)Cc1ccc(F)c(F)c1 C1CC1[*:1] NC(=O)CCn1c(nnc1[*:1])[S@](=O)Cc1ccc(F)c(F)c1
NC(=O)CCn1c(C2CC2)nnc1[S@](=O)Cc1ccc(F)c(F)c1 NC(=O)[*:1] O=[S@](Cc1ccc(F)c(F)c1)c1nnc(C2CC2)n1CC[*:1]
NC(=O)CCn1c(C2CC2)nnc1[S@](=O)Cc1ccc(F)c(F)c1 NC(=O)C[*:1] O=[S@](Cc1ccc(F)c(F)c1)c1nnc(C2CC2)n1C[*:1]
NC(=O)CCn1c(C2CC2)nnc1[S@](=O)Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] NC(=O)CCn1c(nnc1[S@](=O)C[*:1])C1CC1
O=C(CCn1ccccc1=O)O[C@@H]1C=C(c2ccc(Cl)cc2)CC1 O=c1ccccn1C[*:1] O=C(C[*:1])O[C@@H]1C=C(CC1)c1ccc(Cl)cc1
O=C(CCn1ccccc1=O)O[C@@H]1C=C(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(CCn1ccccc1=O)O[C@@H]1C=C(CC1)[*:1]
O=C(CCn1ccccc1=O)O[C@@H]1C=C(c2ccc(Cl)cc2)CC1 O=c1ccccn1[*:1] O=C(CC[*:1])O[C@@H]1C=C(CC1)c1ccc(Cl)cc1
N=C1[C@H](CC(=O)Nc2ccccc2)SC(=O)[C@@H]1/N=C/c1ccccc1 c1ccc(cc1)[*:1] N=C1[C@H](CC(=O)N[*:1])SC(=O)[C@@H]1/N=C/c1ccccc1
N=C1[C@H](CC(=O)Nc2ccccc2)SC(=O)[C@@H]1/N=C/c1ccccc1 c1ccc(cc1)[*:1] N=C1[C@H](CC(=O)Nc2ccccc2)SC(=O)[C@@H]1N=C[*:1]
N=C1[C@H](CC(=O)Nc2ccccc2)SC(=O)[C@@H]1/N=C/c1ccccc1 C(=N[*:1])c1ccccc1 N=C1[C@H](CC(=O)Nc2ccccc2)SC(=O)[C@H]1[*:1]
C=CCNc1nnc(S[C@H](C)C(=O)OC)s1 C=CC[*:1] COC(=O)[C@@H](C)Sc1nnc(N[*:1])s1
C=CCNc1nnc(S[C@H](C)C(=O)OC)s1 C=CCN[*:1] COC(=O)[C@@H](C)Sc1nnc(s1)[*:1]
C=CCNc1nnc(S[C@H](C)C(=O)OC)s1 COC(=O)[*:1] C=CCNc1nnc(S[C@H](C)[*:1])s1
O=c1n(CCSCCOc2ccccc2F)nc2ccccn12 Fc1ccccc1[*:1] O=c1n(CCSCCO[*:1])nc2ccccn12
O=C(CSC1=NN[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccccc1)N1CCCCCC1 O=C(C[*:1])N1CCCCCC1 O=c1cc(C[C@H]2NN=C(S[*:1])N2c2ccccc2)[nH]c(=O)[nH]1
O=C(CSC1=NN[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccccc1)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(CSC1=NN[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1[*:1])N1CCCCCC1
O=C(CSC1=NN[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccccc1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=c1cc(C[C@H]2NN=C(SC[*:1])N2c2ccccc2)[nH]c(=O)[nH]1
O=C(CSC1=NN[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccccc1)N1CCCCCC1 O=c1cc([nH]c(=O)[nH]1)[*:1] O=C(CSC1=NN[C@H](C[*:1])N1c1ccccc1)N1CCCCCC1
O=C(c1ncoc1-c1cccs1)N1CCC[C@@H]1c1cccnc1 c1cncc(c1)[*:1] O=C(c1ncoc1-c1cccs1)N1CCC[C@H]1[*:1]
O=C(c1ncoc1-c1cccs1)N1CCC[C@@H]1c1cccnc1 c1csc(c1)[*:1] O=C(c1ncoc1[*:1])N1CCC[C@@H]1c1cccnc1
O=C(NC[C@@H](O)CO)Nc1ccc(-c2csnn2)cc1 OC[C@H](O)C[*:1] O=C(Nc1ccc(cc1)-c1csnn1)N[*:1]
O=C(NC[C@@H](O)CO)Nc1ccc(-c2csnn2)cc1 OC[C@H](O)[*:1] O=C(NC[*:1])Nc1ccc(cc1)-c1csnn1
O=C(NC[C@@H](O)CO)Nc1ccc(-c2csnn2)cc1 c1snnc1[*:1] O=C(NC[C@@H](O)CO)Nc1ccc(cc1)[*:1]
CCOC(=O)C1=C(CN2CCc3c(F)ccc(F)c3C2)NC(=O)NC1 CCOC(=O)[*:1] O=C1NCC(=C(CN2CCc3c(F)ccc(F)c3C2)N1)[*:1]
O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 FC(F)(F)[*:1] O=S(=O)(c1ccc(F)c(c1)[*:1])N1CCN(CC1)c1ccc(nn1)-n1ccnc1
O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 c1cn(cn1)[*:1] O=S(=O)(c1ccc(F)c(c1)C(F)(F)F)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1ccccc1OCCCC(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1OCCCC(=O)Nc1ccccc1[*:1]
Cc1ccccc1OCCCC(=O)Nc1ccccc1[N+](=O)[O-] Cc1ccccc1[*:1] O=C(CCCO[*:1])Nc1ccccc1[N+](=O)[O-]
CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1 CN(C)C(=O)C[*:1] CC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1 CN(C)C(=O)[*:1] CC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C[*:1]
CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1 CC(C)C(=O)N[*:1] CN(C)C(=O)Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1 CC(C)[*:1] CN(C)C(=O)Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccccc1C(=O)NC(=S)Nc1ccc(I)cn1 Ic1ccc(nc1)[*:1] COc1ccccc1C(=O)NC(=S)N[*:1]
COC(=O)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 COC(=O)[*:1] O=C(C[*:1])N1CCN(CC1)c1cccc(Cl)c1
COC(=O)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 COC(=O)C[*:1] O=C(N1CCN(CC1)c1cccc(Cl)c1)[*:1]
CCCc1nc(NCc2ccncc2)c2cnn(C)c2n1 c1cc(ccn1)C[*:1] CCCc1nc(N[*:1])c2cnn(C)c2n1
CCCc1nc(NCc2ccncc2)c2cnn(C)c2n1 c1cc(ccn1)[*:1] CCCc1nc(NC[*:1])c2cnn(C)c2n1
CCCc1nc(NCc2ccncc2)c2cnn(C)c2n1 CCC[*:1] Cn1ncc2c(nc(nc21)[*:1])NCc1ccncc1
CCCNC(=O)CNC(=O)Nc1ccc2nc(C(C)C)sc2c1 CCC[*:1] CC(C)c1nc2ccc(cc2s1)NC(=O)NCC(=O)N[*:1]
CCCNC(=O)CNC(=O)Nc1ccc2nc(C(C)C)sc2c1 CC(C)[*:1] CCCNC(=O)CNC(=O)Nc1ccc2nc(sc2c1)[*:1]
CCCNC(=O)CNC(=O)Nc1ccc2nc(C(C)C)sc2c1 CCCNC(=O)[*:1] CC(C)c1nc2ccc(cc2s1)NC(=O)NC[*:1]
CCCNC(=O)CNC(=O)Nc1ccc2nc(C(C)C)sc2c1 CCCNC(=O)C[*:1] CC(C)c1nc2ccc(cc2s1)NC(=O)N[*:1]
CCOC(=O)[C@@H](C)Nc1ncc(Br)cc1C CCOC(=O)[*:1] Cc1cc(Br)cnc1N[C@H](C)[*:1]
C[C@H]1C[C@H](C)CN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C1 Fc1ccccc1O[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)C1CN(C1)C(=O)C[*:1]
C[C@H]1C[C@H](C)CN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C1 Fc1ccccc1[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)C1CN(C1)C(=O)CO[*:1]
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc2ccccc12 COC[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)OC[*:1])c1cccc2ccccc12
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc2ccccc12 COCCOC(=O)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1[*:1])c1cccc2ccccc12
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] COCCOC(=O)C1=C(C)NC2CC(C)(C)CC(=O)C=2[C@@H]1[*:1]
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc2ccccc12 COCC[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)O[*:1])c1cccc2ccccc12
CCOc1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1ccccc1F Fc1ccccc1[*:1] CCOc1ccccc1NC(=O)[C@H](C)[S@](=O)C[*:1]
CCOc1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1ccccc1F Fc1ccccc1C[*:1] CCOc1ccccc1NC(=O)[C@H](C)[S@](=O)[*:1]
CCOc1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1ccccc1F CCO[*:1] C[C@@H](C(=O)Nc1ccccc1[*:1])[S@](=O)Cc1ccccc1F
CCCn1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)cn1 Clc1ccc(c(Cl)c1)[*:1] CCCn1cc(cn1)NC(=O)c1cnn(c1)[*:1]
CCCn1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)cn1 CCC[*:1] O=C(Nc1cnn(c1)[*:1])c1cnn(c1)-c1ccc(Cl)cc1Cl
CCCn1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)cn1 CCCn1cc(cn1)[*:1] O=C(N[*:1])c1cnn(c1)-c1ccc(Cl)cc1Cl
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cc(=O)n3c(C)csc3n1)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(Cc3cc(=O)n4c(C)csc4n3)[C@@H](c2cc1OC)[*:1]
CC[C@@H](C)[C@@H](C)n1c(N)nc2cccnc21 CC[C@@H](C)[*:1] C[C@@H](n1c(N)nc2cccnc21)[*:1]
C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C[C@H]1O N#Cc1ccc(nc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)Nc1cccc(c1)O[*:1]
Cc1ccc(-c2nn(CN3CC[C@@H]([NH+]4CCCC4)C3)c(=S)o2)cc1C Cc1ccc(cc1C)[*:1] S=c1oc(nn1CN1CC[C@H](C1)[NH+]1CCCC1)[*:1]
C[C@@H]1COC[C@@H](C)N1C(=O)CNC(=O)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] C[C@@H]1COC[C@@H](C)N1C(=O)CNC(=O)c1cc(on1)[*:1]
Cc1cc([O-])c([C@@H](c2ccccc2Cl)N2CCN(c3cccc[nH+]3)CC2)c(=O)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1cc([O-])c(c(=O)n1[*:1])[C@@H](c1ccccc1Cl)N1CCN(CC1)c1cccc[nH+]1
Cc1cc([O-])c([C@@H](c2ccccc2Cl)N2CCN(c3cccc[nH+]3)CC2)c(=O)n1Cc1ccco1 Clc1ccccc1[*:1] Cc1cc([O-])c(c(=O)n1Cc1ccco1)[C@@H](N1CCN(CC1)c1cccc[nH+]1)[*:1]
Cc1cc([O-])c([C@@H](c2ccccc2Cl)N2CCN(c3cccc[nH+]3)CC2)c(=O)n1Cc1ccco1 c1coc(c1)[*:1] Cc1cc([O-])c(c(=O)n1C[*:1])[C@@H](c1ccccc1Cl)N1CCN(CC1)c1cccc[nH+]1
CCCC(=O)Nc1ccc(CNC(=O)N2CCOCC[C@@H]2C)cc1 CCCC(=O)N[*:1] C[C@H]1CCOCCN1C(=O)NCc1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(CNC(=O)N2CCOCC[C@@H]2C)cc1 CCC[*:1] C[C@H]1CCOCCN1C(=O)NCc1ccc(cc1)NC(=O)[*:1]
CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2[*:1]
Cc1ccc(C(=O)NNC(=O)NCc2cccc(OCC(C)C)c2)o1 CC(C)C[*:1] Cc1ccc(o1)C(=O)NNC(=O)NCc1cccc(c1)O[*:1]
Cc1ccc(C(=O)NNC(=O)NCc2cccc(OCC(C)C)c2)o1 Cc1ccc(o1)[*:1] CC(C)COc1cccc(c1)CNC(=O)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)NCc2cccc(OCC(C)C)c2)o1 CC(C)CO[*:1] Cc1ccc(o1)C(=O)NNC(=O)NCc1cccc(c1)[*:1]
Cc1ccc(C(=O)NNC(=O)NCc2cccc(OCC(C)C)c2)o1 CC(C)[*:1] Cc1ccc(o1)C(=O)NNC(=O)NCc1cccc(c1)OC[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(-n2cnnn2)c1 c1nnnn1[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)nc1 Cc1cc(c(C)s1)[*:1] Cc1ccc(nc1)NC(=O)CCC(=O)[*:1]
Cc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)nc1 Cc1ccc(nc1)[*:1] Cc1cc(C(=O)CCC(=O)N[*:1])c(C)s1
CCOc1c(Cl)cc(C(=O)N(CC#N)C2CCCC2)cc1OC C1CCC(C1)[*:1] CCOc1c(Cl)cc(cc1OC)C(=O)N(CC#N)[*:1]
CCOc1c(Cl)cc(C(=O)N(CC#N)C2CCCC2)cc1OC N#CC[*:1] CCOc1c(Cl)cc(cc1OC)C(=O)N(C1CCCC1)[*:1]
CCOc1c(Cl)cc(C(=O)N(CC#N)C2CCCC2)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)N(CC#N)C1CCCC1
COC(=O)c1sccc1[N-]S(=O)(=O)c1ccccc1N COC(=O)[*:1] Nc1ccccc1S(=O)(=O)[N-]c1ccsc1[*:1]
NS(=O)(=O)c1ccc(OCCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 NS(=O)(=O)[*:1] c1cc(ccc1OCCN1CC[C@H](C1)C[NH+]1CCCCC1)[*:1]
Cc1ccc(C(=O)N(C)[C@@H](C)[C@H](O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)[*:1]
Cc1ccc(C(=O)N(C)[C@@H](C)[C@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N(C)[C@@H](C)[C@H](O)[*:1]
CC/C=C/C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 CCC=C[*:1] COc1cc2CCN(C(=O)[*:1])[C@H](c3cccs3)c2cc1OC
CC/C=C/C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 c1csc(c1)[*:1] CC/C=C/C(=O)N1CCc2cc(OC)c(cc2[C@@H]1[*:1])OC
CC(=O)C1=C(C)C(c2csc(-c3ccc(C)cc3)n2)=N[C@@H]1C CC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])c1csc(n1)-c1ccc(C)cc1
CC(=O)C1=C(C)C(c2csc(-c3ccc(C)cc3)n2)=N[C@@H]1C Cc1ccc(cc1)[*:1] CC(=O)C1=C(C)C(=N[C@@H]1C)c1csc(n1)[*:1]
CCn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccccc1C FC(F)(F)[*:1] CCn1c(nnc1-c1ccccc1C)SCC(=O)NC[*:1]
CCn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccccc1C O=C(NCC(F)(F)F)[*:1] CCn1c(nnc1-c1ccccc1C)SC[*:1]
CCn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccccc1C Cc1ccccc1[*:1] CCn1c(nnc1[*:1])SCC(=O)NCC(F)(F)F
CCn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccccc1C FC(F)(F)C[*:1] CCn1c(nnc1-c1ccccc1C)SCC(=O)N[*:1]
CC1(C)CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1C#N N#Cc1ccccc1[*:1] CC1(C)CCC[C@@H]1NC(=O)NNC(=O)CO[*:1]
CN1CCN(C(=O)CCSC#N)CC1 N#CS[*:1] CN1CCN(CC1)C(=O)CC[*:1]
CN1CCN(C(=O)CCSC#N)CC1 N#CSC[*:1] CN1CCN(CC1)C(=O)C[*:1]
C[C@@H](NCc1ccc(-n2ccnc2)nc1)C(C)(C)c1ccccc1 c1cn(cn1)[*:1] C[C@@H](NCc1ccc(nc1)[*:1])C(C)(C)c1ccccc1
C[C@@H](NCc1ccc(-n2ccnc2)nc1)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NCc1ccc(nc1)-n1ccnc1)C(C)(C)[*:1]
C[C@@H](CNC(=O)c1cccc(-n2cccn2)n1)N1CCOC[C@@H]1C c1cnn(c1)[*:1] C[C@@H](CNC(=O)c1cccc(n1)[*:1])N1CCOC[C@@H]1C
Cc1cc(CN[C@@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)on1 Cc1cc(C[*:1])on1 O=c1c2c3CC[C@H](Cc3sc2ncn1CCc1ccccc1)N[*:1]
Cc1cc(CN[C@@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)on1 Cc1cc(CN[*:1])on1 O=c1c2c3CC[C@H](Cc3sc2ncn1CCc1ccccc1)[*:1]
Cc1cc(CN[C@@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)on1 c1ccc(cc1)CC[*:1] Cc1cc(CN[C@@H]2CCc3c(C2)sc2ncn(c(=O)c32)[*:1])on1
Cc1cc(CN[C@@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)on1 c1ccc(cc1)C[*:1] Cc1cc(CN[C@@H]2CCc3c(C2)sc2ncn(C[*:1])c(=O)c32)on1
Cc1cc(CN[C@@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)on1 c1ccc(cc1)[*:1] Cc1cc(CN[C@@H]2CCc3c(C2)sc2ncn(CC[*:1])c(=O)c32)on1
Cc1cc(CN[C@@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)on1 Cc1cc(on1)[*:1] O=c1c2c3CC[C@H](Cc3sc2ncn1CCc1ccccc1)NC[*:1]
CC(C)CCN(C)C(=O)C1(C#N)CCCC1 CC(C)C[*:1] CN(C[*:1])C(=O)C1(C#N)CCCC1
CC(C)CCN(C)C(=O)C1(C#N)CCCC1 CC(C)[*:1] CN(CC[*:1])C(=O)C1(C#N)CCCC1
CC(C)CCN(C)C(=O)C1(C#N)CCCC1 CC(C)CC[*:1] CN(C(=O)C1(C#N)CCCC1)[*:1]
CC(=O)c1cccc(NC(=S)NC(=O)c2cccs2)c1 CC(=O)[*:1] O=C(NC(=S)Nc1cccc(c1)[*:1])c1cccs1
CC(=O)c1cccc(NC(=S)NC(=O)c2cccs2)c1 c1csc(c1)[*:1] CC(=O)c1cccc(c1)NC(=S)NC(=O)[*:1]
CCOc1ccc(C(=O)[C@]2(C)CCCO2)c(Br)c1 CCO[*:1] C[C@]1(CCCO1)C(=O)c1ccc(cc1Br)[*:1]
C[NH+](C)CCN1C[C@@H](C(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1=O c1ccc2c(c[nH]c2c1)[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)NNC(=O)C[*:1]
O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cnc2nc([O-])[nH]c(=O)c2c1 FC(F)(F)[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])c1cnc2nc([O-])[nH]c(=O)c2c1
COc1cccc([C@@H]2CC(c3cccs3)=NN2/C([O-])=C/Sc2nncn2C)c1OC Cn1cnnc1[*:1] COc1cccc(c1OC)[C@@H]1CC(=NN1/C([O-])=C/S[*:1])c1cccs1
COc1cccc([C@@H]2CC(c3cccs3)=NN2/C([O-])=C/Sc2nncn2C)c1OC COc1cccc(c1OC)[*:1] Cn1cnnc1S/C=C(\[O-])N1N=C(C[C@H]1[*:1])c1cccs1
COc1cccc([C@@H]2CC(c3cccs3)=NN2/C([O-])=C/Sc2nncn2C)c1OC c1csc(c1)[*:1] COc1cccc(c1OC)[C@@H]1CC(=NN1/C([O-])=C/Sc1nncn1C)[*:1]
COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 c1ccc(cc1)CC[*:1] COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C(=O)[C@H]12)[*:1]
COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 COC(OC)[*:1] O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)([C@@H]2C(=O)N1CCc1ccccc1)[*:1]
COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 c1ccc(cc1)[*:1] COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(CC[*:1])C(=O)[C@H]12
COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 c1ccc(cc1)C[*:1] COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C[*:1])C(=O)[C@H]12
Cc1cc(C)c(S(=O)(=O)NC[C@](C)(O)c2cccs2)cc1C c1csc(c1)[*:1] Cc1cc(C)c(cc1C)S(=O)(=O)NC[C@](C)(O)[*:1]
Cc1nnc2ccc(-c3noc(Cc4ccccc4Cl)n3)cn12 Clc1ccccc1[*:1] Cc1nnc2ccc(cn12)-c1noc(C[*:1])n1
CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccccc2[*:1])cc1
CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1 CC(=O)N[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1ccccc1C(F)(F)F
O=C(NCC(=O)N1CCCC1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O O=C(N1CCCC1)[*:1] O=C(NC[*:1])N[C@H]1CCN(C1=O)c1cccc(Cl)c1
O=C(NCC(=O)N1CCCC1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O Clc1cccc(c1)[*:1] O=C(NCC(=O)N1CCCC1)N[C@H]1CCN(C1=O)[*:1]
O=C(NCC(=O)N1CCCC1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O O=C(C[*:1])N1CCCC1 O=C(N[C@H]1CCN(C1=O)c1cccc(Cl)c1)N[*:1]
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N3CC(=O)Nc4ccccc43)n2n1 c1ccc(cc1)[*:1] Cc1cc(C)c2c(nc(SCC(=O)N3CC(=O)Nc4ccccc43)n2n1)[*:1]
C[C@@H](Cn1cncn1)NC(=O)C1C[C@H](C)O[C@@H](C)C1 c1ncn(n1)[*:1] C[C@@H](C[*:1])NC(=O)C1C[C@H](C)O[C@@H](C)C1
C[C@@H](Cn1cncn1)NC(=O)C1C[C@H](C)O[C@@H](C)C1 c1ncn(C[*:1])n1 C[C@H]1CC(C[C@H](C)O1)C(=O)N[C@H](C)[*:1]
NC(=O)C[NH2+]C1(c2nccs2)CCCC1 NC(=O)C[*:1] c1csc(n1)C1(CCCC1)[NH2+][*:1]
NC(=O)C[NH2+]C1(c2nccs2)CCCC1 c1csc(n1)[*:1] NC(=O)C[NH2+]C1(CCCC1)[*:1]
NC(=O)C[NH2+]C1(c2nccs2)CCCC1 NC(=O)[*:1] c1csc(n1)C1(CCCC1)[NH2+]C[*:1]
COC[C@@H](Nc1nc(Br)cs1)C(C)C CC(C)[*:1] COC[C@@H](Nc1nc(Br)cs1)[*:1]
COC[C@@H](Nc1nc(Br)cs1)C(C)C COC[*:1] CC(C)[C@H](Nc1nc(Br)cs1)[*:1]
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@H](CO)C1 C1CCN(CC1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])N1CCC[C@H](CO)C1
COc1ccc(NC(=O)c2cc(-c3cccnc3)[nH]n2)cc1Cl c1cncc(c1)[*:1] COc1ccc(cc1Cl)NC(=O)c1cc([nH]n1)[*:1]
C[C@@H]1C[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 O=S(=O)(NC1CC1)[*:1] C[C@@H]1C[C@H]1NC(=O)c1ccc(F)c(c1)[*:1]
C[C@@H]1C[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 C1CC1[*:1] C[C@@H]1C[C@H]1NC(=O)c1ccc(F)c(c1)S(=O)(=O)N[*:1]
C[C@@H]1C[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 C[C@@H]1C[C@H]1NC(=O)[*:1] O=S(=O)(NC1CC1)c1cc(ccc1F)[*:1]
Cc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N([C@@H](CC(C)C)C(=O)NCc2ccco2)C3)c1 O=C(NCc1ccco1)[*:1] Cc1cccc(c1)[C@@H]1NC(=O)N(C)C2CN(C(=O)C=21)[C@@H](CC(C)C)[*:1]
Cc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N([C@@H](CC(C)C)C(=O)NCc2ccco2)C3)c1 c1coc(c1)C[*:1] Cc1cccc(c1)[C@@H]1NC(=O)N(C)C2CN(C(=O)C=21)[C@@H](CC(C)C)C(=O)N[*:1]
Cc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N([C@@H](CC(C)C)C(=O)NCc2ccco2)C3)c1 CC(C)[*:1] Cc1cccc(c1)[C@@H]1NC(=O)N(C)C2CN(C(=O)C=21)[C@@H](C[*:1])C(=O)NCc1ccco1
Cc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N([C@@H](CC(C)C)C(=O)NCc2ccco2)C3)c1 c1coc(c1)[*:1] Cc1cccc(c1)[C@@H]1NC(=O)N(C)C2CN(C(=O)C=21)[C@@H](CC(C)C)C(=O)NC[*:1]
Cc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N([C@@H](CC(C)C)C(=O)NCc2ccco2)C3)c1 CC(C)C[*:1] Cc1cccc(c1)[C@@H]1NC(=O)N(C)C2CN(C(=O)C=21)[C@@H](C(=O)NCc1ccco1)[*:1]
Cc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N([C@@H](CC(C)C)C(=O)NCc2ccco2)C3)c1 Cc1cccc(c1)[*:1] CC(C)C[C@@H](C(=O)NCc1ccco1)N1CC2=C(C1=O)[C@@H](NC(=O)N2C)[*:1]
COc1cccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2N)c1 COc1cccc(c1)[*:1] Nc1c(nnn1[*:1])-c1nc(no1)-c1ccc(Cl)cc1
COc1cccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2N)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)-n1nnc(-c2nc(no2)[*:1])c1N
Cc1ccc(CCC2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)cc1 Cc1ccc(cc1)C[*:1] C[NH+]1CCC(CC1)NC(=O)N1CCC(CC1)C[*:1]
Cc1ccc(CCC2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)cc1 Cc1ccc(cc1)[*:1] C[NH+]1CCC(CC1)NC(=O)N1CCC(CC1)CC[*:1]
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2c1CCCCC2 COC(=O)[*:1] CC(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1[*:1]
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2c1CCCCC2 CC(C)S(=O)(=O)[*:1] COC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc2CCCCCc21
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2c1CCCCC2 CC(C)[*:1] COC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)[*:1])sc2CCCCCc21
C[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](Oc2cc(F)cc(F)c2)C1 O=C([O-])[*:1] C[NH2+][C@]1(CCC[C@H](C1)Oc1cc(F)cc(F)c1)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN1CCN(c3cccc(Cl)c3)CC1)C2 Clc1cccc(c1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)OC[C@H](O)CN1CCN(CC1)[*:1]
CCOC(=O)NNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 C1CC1[*:1] CCOC(=O)NNC(=O)c1cc(nc2ccc(Cl)cc12)[*:1]
O=C(NNc1ncccc1Cl)c1ccc(OC2CCC2)cc1Cl C1CC(C1)O[*:1] O=C(NNc1ncccc1Cl)c1ccc(cc1Cl)[*:1]
O=C(NNc1ncccc1Cl)c1ccc(OC2CCC2)cc1Cl C1CC(C1)[*:1] O=C(NNc1ncccc1Cl)c1ccc(cc1Cl)O[*:1]
O=C(NNc1ncccc1Cl)c1ccc(OC2CCC2)cc1Cl Clc1cccnc1[*:1] O=C(NN[*:1])c1ccc(cc1Cl)OC1CCC1
C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 O=S(=O)(N1CCOCC1)[*:1] C[C@@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])c1ccc(Cl)cc1
C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 O=[N+]([O-])[*:1] C[C@@H](Nc1ccc(cc1[*:1])S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1
C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 C[C@@H](c1ccc(Cl)cc1)[*:1] O=[N+]([O-])c1cc(ccc1N[*:1])S(=O)(=O)N1CCOCC1
C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCOCC1)[*:1]
CSc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 O=C([O-])[*:1] CSc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCc1ccc([C@H](C)C(=O)N2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 CCc1ccc(cc1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)[C@@H](C)[*:1]
COc1cc(OC)c(-c2cc(C(=O)[O-])c3c(-c4ccc(Cl)cc4)[nH]nc3n2)cc1OC O=C([O-])[*:1] COc1cc(OC)c(cc1OC)-c1cc(c2c([nH]nc2n1)-c1ccc(Cl)cc1)[*:1]
COc1cc(OC)c(-c2cc(C(=O)[O-])c3c(-c4ccc(Cl)cc4)[nH]nc3n2)cc1OC Clc1ccc(cc1)[*:1] COc1cc(OC)c(cc1OC)-c1cc(C(=O)[O-])c2c([nH]nc2n1)[*:1]
CCC(=O)Nc1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 CCC(=O)N[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)Nc1cccc(c1)[*:1]
CCC(=O)Nc1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)CCO[*:1] CCC(=O)Nc1cccc(c1)NC(=O)N1CC[C@H](C1)[*:1]
CCC(=O)Nc1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)C[*:1] CCC(=O)Nc1cccc(c1)NC(=O)N1CC[C@@H](C1)OC[*:1]
CCC(=O)Nc1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)[*:1] CCC(=O)Nc1cccc(c1)NC(=O)N1CC[C@@H](C1)OCC[*:1]
CCC(=O)Nc1cccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)CC[*:1] CCC(=O)Nc1cccc(c1)NC(=O)N1CC[C@@H](C1)O[*:1]
Cc1csc(C2(NC(=O)[C@H]3SCCc4ccccc43)CCCC2)n1 Cc1csc(n1)[*:1] O=C(NC1(CCCC1)[*:1])[C@H]1SCCc2ccccc21
O=C(CS[C@@H]1NN[C@H](c2ccncc2)N1C1CC1)Nc1nncs1 C1CC1[*:1] O=C(CS[C@@H]1NN[C@H](c2ccncc2)N1[*:1])Nc1nncs1
O=C(CS[C@@H]1NN[C@H](c2ccncc2)N1C1CC1)Nc1nncs1 c1nnc(s1)[*:1] O=C(CS[C@@H]1NN[C@H](c2ccncc2)N1C1CC1)N[*:1]
O=C(CS[C@@H]1NN[C@H](c2ccncc2)N1C1CC1)Nc1nncs1 c1cc(ccn1)[*:1] O=C(CS[C@@H]1NN[C@H](N1C1CC1)[*:1])Nc1nncs1
O=C(CS[C@@H]1NN[C@H](c2ccncc2)N1C1CC1)Nc1nncs1 O=C(Nc1nncs1)[*:1] c1cc(ccn1)[C@H]1NN[C@@H](SC[*:1])N1C1CC1
O=C(COc1ccccc1)NCC(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 c1ccc(cc1)[*:1] O=C(CO[*:1])NCC(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
O=C(COc1ccccc1)NCC(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 c1ccc(cc1)O[*:1] O=C(C[*:1])NCC(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
O=C(COc1ccccc1)NCC(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 c1ccc(cc1)OC[*:1] O=C(CNC(=O)[*:1])N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
CC(=O)c1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@H]1CCCc2sccc21
Cn1ccnc1[C@H](NC(=O)CCC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] Cn1ccnc1[C@H](NC(=O)C[*:1])c1ccc(F)cc1
Cn1ccnc1[C@H](NC(=O)CCC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)CCC(F)(F)F)[*:1]
Cn1ccnc1[C@H](NC(=O)CCC(F)(F)F)c1ccc(F)cc1 Cn1ccnc1[*:1] O=C(CCC(F)(F)F)N[C@H](c1ccc(F)cc1)[*:1]
Cn1ccnc1[C@H](NC(=O)CCC(F)(F)F)c1ccc(F)cc1 FC(F)(F)CC[*:1] Cn1ccnc1[C@H](NC(=O)[*:1])c1ccc(F)cc1
Cn1ccnc1[C@H](NC(=O)CCC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] Cn1ccnc1[C@H](NC(=O)CC[*:1])c1ccc(F)cc1
CC[NH2+][C@@H](C)c1ccc(SC[C@H](C)CO)cc1 C[C@H](CO)C[*:1] CC[NH2+][C@@H](C)c1ccc(cc1)S[*:1]
CC[NH2+][C@@H](C)c1ccc(SC[C@H](C)CO)cc1 C[C@H](CO)[*:1] CC[NH2+][C@@H](C)c1ccc(cc1)SC[*:1]
CC(C)N(CCCC(=O)[O-])C(=O)[C@H]1CCCCC[C@H]1[NH3+] O=C([O-])CCC[*:1] CC(C)N(C(=O)[C@H]1CCCCC[C@H]1[NH3+])[*:1]
CC(C)N(CCCC(=O)[O-])C(=O)[C@H]1CCCCC[C@H]1[NH3+] CC(C)[*:1] [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N(CCCC(=O)[O-])[*:1]
CC(C)N(CCCC(=O)[O-])C(=O)[C@H]1CCCCC[C@H]1[NH3+] O=C([O-])[*:1] CC(C)N(CCC[*:1])C(=O)[C@H]1CCCCC[C@H]1[NH3+]
CC(C)N(CCCC(=O)[O-])C(=O)[C@H]1CCCCC[C@H]1[NH3+] O=C([O-])C[*:1] CC(C)N(CC[*:1])C(=O)[C@H]1CCCCC[C@H]1[NH3+]
CC(C)N(CCCC(=O)[O-])C(=O)[C@H]1CCCCC[C@H]1[NH3+] O=C([O-])CC[*:1] CC(C)N(C[*:1])C(=O)[C@H]1CCCCC[C@H]1[NH3+]
O=[N+]([O-])[C@H]1CN=C[C@@H](Br)[C@@H]1O O=[N+]([O-])[*:1] O[C@@H]1[C@H](CN=C[C@H]1Br)[*:1]
O=C(c1ccc(Cl)cc1F)N1CCN(c2ccncc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1ccc(Cl)cc1F)N1CCN(CC1)c1ccncc1[*:1]
O=C(c1ccc(Cl)cc1F)N1CCN(c2ccncc2[N+](=O)[O-])CC1 Fc1cc(Cl)ccc1[*:1] O=C(N1CCN(CC1)c1ccncc1[N+](=O)[O-])[*:1]
CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[C@H](O)COc2cccc3ccccc23)C1=O Clc1cccc(c1)[*:1] CC[C@]1(NC(=O)N(C[C@H](O)COc2cccc3ccccc23)C1=O)[*:1]
CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[C@H](O)COc2cccc3ccccc23)C1=O c1ccc2c(cccc2c1)[*:1] CC[C@]1(NC(=O)N(C[C@H](O)CO[*:1])C1=O)c1cccc(Cl)c1
CCc1nn(C)cc1CNC(=O)CCC(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCc1nn(C)cc1CNC(=O)CCC(=O)[*:1]
CCc1nn(C)cc1CNC(=O)CCC(=O)c1ccc(F)c(F)c1 CCc1nn(C)cc1[*:1] O=C(CCC(=O)c1ccc(F)c(F)c1)NC[*:1]
O=C1CC[C@]2(CCCN(C(=O)c3cc[nH]c3)C2)CN1Cc1ccccn1 c1ccc(C[*:1])nc1 O=C(c1cc[nH]c1)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
O=C1CC[C@]2(CCCN(C(=O)c3cc[nH]c3)C2)CN1Cc1ccccn1 c1ccc(nc1)[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)c2cc[nH]c2)CN1C[*:1]
O=C1CC[C@]2(CCCN(C(=O)c3cc[nH]c3)C2)CN1Cc1ccccn1 c1cc(c[nH]1)[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)[*:1])CN1Cc1ccccn1
O=C(COC(=O)/C=C/c1cc(Br)ccc1F)Nc1ccc2c(c1)OCO2 Fc1ccc(Br)cc1[*:1] O=C(COC(=O)C=C[*:1])Nc1ccc2OCOc2c1
C[C@@H](O)CN(C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C C[C@@H](O)[*:1] CN(C[*:1])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
C[C@@H](O)CN(C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C C[C@@H](O)C[*:1] CN(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[*:1]
Cc1cc(C(=O)[O-])c(NC(=O)c2nc(C(C)(C)C)n[nH]2)s1 O=C([O-])[*:1] Cc1cc(c(NC(=O)c2nc(n[nH]2)C(C)(C)C)s1)[*:1]
Cc1cc(C(=O)[O-])c(NC(=O)c2nc(C(C)(C)C)n[nH]2)s1 CC(C)(C)[*:1] Cc1cc(C(=O)[O-])c(NC(=O)c2nc(n[nH]2)[*:1])s1
COc1ccccc1N1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 COc1ccccc1[*:1] CC1CCN(CC1)C(=O)[C@@H](C)N1CCN(CC1)[*:1]
CCC(CC)[C@@H](NC(=O)Cc1cc(C)on1)c1cccs1 CCC(CC)[*:1] Cc1cc(CC(=O)N[C@@H](c2cccs2)[*:1])no1
CCC(CC)[C@@H](NC(=O)Cc1cc(C)on1)c1cccs1 Cc1cc(no1)[*:1] CCC(CC)[C@@H](NC(=O)C[*:1])c1cccs1
CCC(CC)[C@@H](NC(=O)Cc1cc(C)on1)c1cccs1 Cc1cc(C[*:1])no1 CCC(CC)[C@@H](NC(=O)[*:1])c1cccs1
CCC(CC)[C@@H](NC(=O)Cc1cc(C)on1)c1cccs1 c1csc(c1)[*:1] CCC(CC)[C@@H](NC(=O)Cc1cc(C)on1)[*:1]
CS(=O)(=O)CCC(=O)NCC1CCC(c2ccccc2)CC1 CS(=O)(=O)[*:1] O=C(CC[*:1])NCC1CCC(CC1)c1ccccc1
CS(=O)(=O)CCC(=O)NCC1CCC(c2ccccc2)CC1 CS(=O)(=O)C[*:1] O=C(C[*:1])NCC1CCC(CC1)c1ccccc1
CS(=O)(=O)CCC(=O)NCC1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)CCC(=O)NCC1CCC(CC1)[*:1]
CS(=O)(=O)CCC(=O)NCC1CCC(c2ccccc2)CC1 CS(=O)(=O)CC[*:1] O=C(NCC1CCC(CC1)c1ccccc1)[*:1]
C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cnn(C)c1 C[C@@H](c1cnn(C)c1)[*:1] O=C(N[*:1])N1CCC[C@@H](C1)C[NH+]1CCCCCC1
C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)C[NH+]1CCCCCC1)[*:1]
C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc21 O=[N+]([O-])[*:1] C[C@H]1CCN(C(=O)c2ccc(c(c2)[*:1])N2CCCC2)c2ccccc21
C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc21 C1CCN(C1)[*:1] C[C@H]1CCN(C(=O)c2ccc(c(c2)[N+](=O)[O-])[*:1])c2ccccc21
Cc1nnc(NC(=O)[C@@H]2NN(c3ccc(F)cc3)C=CC2=O)s1 Fc1ccc(cc1)[*:1] Cc1nnc(NC(=O)[C@@H]2NN(C=CC2=O)[*:1])s1
Cc1nnc(NC(=O)[C@@H]2NN(c3ccc(F)cc3)C=CC2=O)s1 Cc1nnc(s1)[*:1] O=C1C=CN(N[C@H]1C(=O)N[*:1])c1ccc(F)cc1
Cc1[nH]ncc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 Cc1[nH]ncc1[*:1] O=C(c1ccc(Cl)cc1)C1CCN(CC1)C(=O)[*:1]
Cc1[nH]ncc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1[nH]ncc1C(=O)N1CCC(CC1)C(=O)[*:1]
CSC[C@H](C)N(C)C(=O)NCc1ccc(F)cc1 CSC[*:1] C[C@H](N(C)C(=O)NCc1ccc(F)cc1)[*:1]
Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](C)n3cnc4ccccc4c3=O)[nH]c2c1 Cc1ccc2nc([nH]c2c1)[*:1] C[C@H](C(=O)N1CCC[C@H]1[*:1])n1cnc2ccccc2c1=O
CNC(=O)CC1CCN(C(=O)c2cc(F)c(Cl)nc2Cl)CC1 CNC(=O)[*:1] O=C(c1cc(F)c(Cl)nc1Cl)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)c2cc(F)c(Cl)nc2Cl)CC1 CNC(=O)C[*:1] O=C(c1cc(F)c(Cl)nc1Cl)N1CCC(CC1)[*:1]
C=CCc1cc(OC)ccc1OCC[NH+]1CCCCC1 C=CC[*:1] COc1ccc(OCC[NH+]2CCCCC2)c(c1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1sc(C)cc1OC(F)F CC[C@@H](C)NC(=O)[*:1] Cc1cc(OC(F)F)c(s1)C(=O)N[C@H](C)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1sc(C)cc1OC(F)F FC(F)O[*:1] CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1sc(C)cc1[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1sc(C)cc1OC(F)F FC(F)[*:1] CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1sc(C)cc1O[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1sc(C)cc1OC(F)F CC[C@@H](C)[*:1] Cc1cc(OC(F)F)c(s1)C(=O)N[C@H](C)C(=O)N[*:1]
CCC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CCOC2)C1 O=C([O-])[*:1] CCC[C@@]1(CCCN(C1)C(=O)N[C@H]1CCOC1)[*:1]
CCC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CCOC2)C1 CCC[*:1] O=C(N[C@H]1CCOC1)N1CCC[C@](C1)(C(=O)[O-])[*:1]
CCC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CCOC2)C1 C1C[C@@H](CO1)[*:1] CCC[C@@]1(CCCN(C1)C(=O)N[*:1])C(=O)[O-]
Cc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 Cc1ccc(cc1)C(=O)C[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(nc2ccccc21)S[*:1]
Cc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 Cc1ccc(cc1)C(=O)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(nc2ccccc21)SC[*:1]
Cc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(nc2ccccc21)SCC(=O)[*:1]
CCc1nn(CC)c(C[NH2+]CC2(C)COC2)c1Cl CC1(COC1)C[*:1] CCc1nn(CC)c(C[NH2+][*:1])c1Cl
CCc1nn(CC)c(C[NH2+]CC2(C)COC2)c1Cl CC1(COC1)[*:1] CCc1nn(CC)c(C[NH2+]C[*:1])c1Cl
CCC[C@@H](C)NC(=O)CSc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C)NC(=O)CSc1nnnn1[*:1]
CCC[C@@H](C)NC(=O)CSc1nnnn1-c1ccccc1 CCC[*:1] C[C@@H](NC(=O)CSc1nnnn1-c1ccccc1)[*:1]
CCC[C@@H](C)NC(=O)CSc1nnnn1-c1ccccc1 CCC[C@@H](C)[*:1] O=C(CSc1nnnn1-c1ccccc1)N[*:1]
COC(=O)N1CC[C@@H](NC(=O)Nc2cnn(-c3ccccc3F)c2)C1 Fc1ccccc1[*:1] COC(=O)N1CC[C@H](C1)NC(=O)Nc1cnn(c1)[*:1]
C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccccc2F)C1=O Fc1ccccc1[*:1] C[C@]1(Cc2ccc3OCOc3c2)NC(=O)N(C[*:1])C1=O
C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccccc2F)C1=O Fc1ccccc1C[*:1] C[C@]1(Cc2ccc3OCOc3c2)NC(=O)N(C1=O)[*:1]
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCOCC1 O=S(=O)(N1CCCCCC1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)[*:1])N1CCOCC1
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=C1COc2ccc(cc2N1[*:1])S(=O)(=O)N1CCCCCC1
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C1COc2ccc(cc2N1C[*:1])S(=O)(=O)N1CCCCCC1
CC(C)[C@H](NC(=O)c1cnn2c1SCC2)C(=O)Nc1ccccc1 CC(C)[*:1] O=C(N[C@H](C(=O)Nc1ccccc1)[*:1])c1cnn2CCSc12
CC(C)[C@H](NC(=O)c1cnn2c1SCC2)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1cnn2CCSc12)C(=O)N[*:1]
COCCCn1ccc(NC(=O)c2cc(Br)cn2C(C)C)n1 COCC[*:1] CC(C)n1cc(Br)cc1C(=O)Nc1ccn(C[*:1])n1
COCCCn1ccc(NC(=O)c2cc(Br)cn2C(C)C)n1 COCCC[*:1] CC(C)n1cc(Br)cc1C(=O)Nc1ccn(n1)[*:1]
COCCCn1ccc(NC(=O)c2cc(Br)cn2C(C)C)n1 COC[*:1] CC(C)n1cc(Br)cc1C(=O)Nc1ccn(CC[*:1])n1
COCCCn1ccc(NC(=O)c2cc(Br)cn2C(C)C)n1 CC(C)[*:1] COCCCn1ccc(n1)NC(=O)c1cc(Br)cn1[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2OC(C)C)NC(=S)N1 CC(C)[*:1] CC1NC(=S)N[C@H](C=1C(=O)Nc1ccccc1)c1ccccc1O[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2OC(C)C)NC(=S)N1 CC(C)O[*:1] CC1NC(=S)N[C@H](C=1C(=O)Nc1ccccc1)c1ccccc1[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2OC(C)C)NC(=S)N1 O=C(Nc1ccccc1)[*:1] CC1NC(=S)N[C@H](C=1[*:1])c1ccccc1OC(C)C
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2OC(C)C)NC(=S)N1 c1ccc(cc1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1ccccc1OC(C)C
C[C@@H](CNC(=O)C[C@@H](O)c1ccccc1)Oc1ccccc1F Fc1ccccc1[*:1] C[C@@H](CNC(=O)C[C@@H](O)c1ccccc1)O[*:1]
C[C@@H](CNC(=O)C[C@@H](O)c1ccccc1)Oc1ccccc1F c1ccc(cc1)[*:1] C[C@@H](CNC(=O)C[C@@H](O)[*:1])Oc1ccccc1F
CN1C(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2C1=O c1csc(c1)[*:1] CN1C(=O)c2ccc(cc2C1=O)NC(=S)NC(=O)[*:1]
COC(=O)c1sc(NC(=O)c2cccc(Cl)c2)nc1C1CC1 Clc1cccc(c1)[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)[*:1]
COC(=O)c1sc(NC(=O)c2cccc(Cl)c2)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)c1cccc(Cl)c1
COC(=O)c1sc(NC(=O)c2cccc(Cl)c2)nc1C1CC1 COC(=O)[*:1] O=C(Nc1nc(c(s1)[*:1])C1CC1)c1cccc(Cl)c1
CCn1nc(C)c(NC(=O)N2CCC[C@@H]2c2ccccc2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)N2CCC[C@H]2[*:1])c1C
Cc1ccc(CCNC(=O)NCCC(=O)N2CCCCCC2)cn1 Cc1ccc(cn1)[*:1] O=C(NCCC(=O)N1CCCCCC1)NCC[*:1]
Cc1ccc(CCNC(=O)NCCC(=O)N2CCCCCC2)cn1 Cc1ccc(cn1)C[*:1] O=C(NCCC(=O)N1CCCCCC1)NC[*:1]
CC(=O)Nc1c(C)cc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1C CC(=O)N[*:1] CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(C)c(c(C)c2)[*:1])C1(C)C
CC(=O)Nc1c(C)cc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1C CC(C)=C[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)[C@H]1[C@H](C1(C)C)[*:1]
CC(C)[NH2+]CC/C=C/Cc1ccccc1Cl CC(C)[*:1] Clc1ccccc1C/C=C/CC[NH2+][*:1]
CC(C)CCN1C(=O)CCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 CC(C)C[*:1] O=C(Nc1ccc2c(c1)CCC(=O)N2C[*:1])c1cccc(Cl)c1
CC(C)CCN1C(=O)CCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 Clc1cccc(c1)[*:1] CC(C)CCN1C(=O)CCc2cc(ccc21)NC(=O)[*:1]
CC(C)CCN1C(=O)CCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 CC(C)[*:1] O=C(Nc1ccc2c(c1)CCC(=O)N2CC[*:1])c1cccc(Cl)c1
CC(C)CCN1C(=O)CCc2cc(NC(=O)c3cccc(Cl)c3)ccc21 CC(C)CC[*:1] O=C(Nc1ccc2c(c1)CCC(=O)N2[*:1])c1cccc(Cl)c1
Cc1[nH]nc(C(=O)Nc2ncccc2Br)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1[nH]nc(C(=O)Nc2ncccc2Br)c1[*:1]
CCCc1cc(NC(=O)N2CCC[C@H]2C[C@H](C)O)n(C)n1 C[C@H](O)C[*:1] CCCc1cc(NC(=O)N2CCC[C@@H]2[*:1])n(C)n1
CCCc1cc(NC(=O)N2CCC[C@H]2C[C@H](C)O)n(C)n1 CCC[*:1] C[C@H](O)C[C@@H]1CCCN1C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)N2CCC[C@H]2C[C@H](C)O)n(C)n1 C[C@H](O)[*:1] CCCc1cc(NC(=O)N2CCC[C@H]2C[*:1])n(C)n1
Cc1ccc(CN2CCN(C(=O)c3cnn(C)c3)CC2=O)cc1C Cn1cc(cn1)[*:1] Cc1ccc(cc1C)CN1CCN(CC1=O)C(=O)[*:1]
Cc1ccc(CN2CCN(C(=O)c3cnn(C)c3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] Cn1cc(cn1)C(=O)N1CCN(C[*:1])C(=O)C1
Cc1nc(N2CCCC[C@H]2C(=O)[O-])c2oc3ccccc3c2n1 O=C([O-])[*:1] Cc1nc(c2oc3ccccc3c2n1)N1CCCC[C@@H]1[*:1]
O=C1[C@H](NCc2cccc(O)c2)CCN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](CCN1C[*:1])NCc1cccc(O)c1
O=C1[C@H](NCc2cccc(O)c2)CCN1Cc1ccccc1 Oc1cccc(c1)[*:1] O=C1[C@@H](CCN1Cc1ccccc1)NC[*:1]
O=C1[C@H](NCc2cccc(O)c2)CCN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@@H](CCN1[*:1])NCc1cccc(O)c1
Cn1cc[nH+]c1CN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] Cn1cc[nH+]c1CN1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
COCCN1C(=O)c2ccc(C(=O)NC3=CC4=CC=N[C@H]4C=C3)cc2C1=O COC[*:1] O=C(NC1C=C[C@@H]2N=CC=C2C=1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
COCCN1C(=O)c2ccc(C(=O)NC3=CC4=CC=N[C@H]4C=C3)cc2C1=O COCC[*:1] O=C(NC1C=C[C@@H]2N=CC=C2C=1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
C[C@@H]([NH3+])c1ccc(SC2COC2)cc1 C[C@@H]([NH3+])[*:1] c1cc(ccc1SC1COC1)[*:1]
C[C@@H]([NH3+])c1ccc(SC2COC2)cc1 C1OCC1[*:1] C[C@@H]([NH3+])c1ccc(cc1)S[*:1]
COc1ccc([C@@H]2CC(c3cccnc3)=Nc3ncnn32)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)[C@@H]1CC(=Nc2ncnn21)[*:1]
CO[C@H](C)c1noc(CC[C@@H](C)CC[NH3+])n1 [NH3+]CC[*:1] CO[C@H](C)c1noc(CC[C@@H](C)[*:1])n1
CO[C@H](C)c1noc(CC[C@@H](C)CC[NH3+])n1 CO[C@H](C)[*:1] C[C@@H](CC[NH3+])CCc1nc(no1)[*:1]
O=C(NCCc1csc(-c2cccc(F)c2)n1)C(=O)Nc1ccc(Cl)cc1 Fc1cccc(c1)[*:1] O=C(NCCc1csc(n1)[*:1])C(=O)Nc1ccc(Cl)cc1
O=C(NCCc1csc(-c2cccc(F)c2)n1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCCc1csc(n1)-c1cccc(F)c1)C(=O)N[*:1]
O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(CC(F)(F)F)C1 O=[N+]([O-])[*:1] O=C(NCc1ccccc1[*:1])[C@@H]1CCCN(C1)CC(F)(F)F
O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C1)C[*:1]
O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C1)[*:1]
Clc1ccc(C/C=C/CC[NH2+]C2CC2)cc1Cl C1CC1[*:1] Clc1ccc(cc1Cl)C/C=C/CC[NH2+][*:1]
ClCCc1nc2cc(Cl)c(Cl)cc2n1CC[C@H]1CCCO1 ClCC[*:1] Clc1cc2nc(n(CC[C@H]3CCCO3)c2cc1Cl)[*:1]
ClCCc1nc2cc(Cl)c(Cl)cc2n1CC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] ClCCc1nc2cc(Cl)c(Cl)cc2n1CC[*:1]
ClCCc1nc2cc(Cl)c(Cl)cc2n1CC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] ClCCc1nc2cc(Cl)c(Cl)cc2n1C[*:1]
ClCCc1nc2cc(Cl)c(Cl)cc2n1CC[C@H]1CCCO1 C1CO[C@H](C1)CC[*:1] ClCCc1nc2cc(Cl)c(Cl)cc2n1[*:1]
CCOc1cccc(C(=O)N(C)Cc2nnc(C3CC3)n2C)c1 C1CC1[*:1] CCOc1cccc(c1)C(=O)N(C)Cc1nnc(n1C)[*:1]
CCOc1cccc(C(=O)N(C)Cc2nnc(C3CC3)n2C)c1 CCO[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccc(c1)[*:1]
O=C(Cc1c(F)cccc1Cl)Nc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(Cc1c(F)cccc1Cl)Nc1ccc(cc1)[*:1]
Cc1c(C#N)c(NC(=O)C[NH2+][C@H](C)c2cccs2)n(Cc2ccco2)c1C c1csc(c1)[*:1] Cc1c(C#N)c(NC(=O)C[NH2+][C@H](C)[*:1])n(Cc2ccco2)c1C
Cc1c(C#N)c(NC(=O)C[NH2+][C@H](C)c2cccs2)n(Cc2ccco2)c1C c1coc(c1)C[*:1] Cc1c(C#N)c(NC(=O)C[NH2+][C@H](C)c2cccs2)n(c1C)[*:1]
Cc1c(C#N)c(NC(=O)C[NH2+][C@H](C)c2cccs2)n(Cc2ccco2)c1C c1coc(c1)[*:1] Cc1c(C#N)c(NC(=O)C[NH2+][C@H](C)c2cccs2)n(C[*:1])c1C
C[C@H](Cn1cccn1)c1nn2c(C3CCCC3)nnc2s1 c1cnn(c1)[*:1] C[C@H](C[*:1])c1nn2c(nnc2s1)C1CCCC1
C[C@H](Cn1cccn1)c1nn2c(C3CCCC3)nnc2s1 C1CCC(C1)[*:1] C[C@H](Cn1cccn1)c1nn2c(nnc2s1)[*:1]
C[C@H](Cn1cccn1)c1nn2c(C3CCCC3)nnc2s1 c1cnn(c1)C[*:1] C[C@H](c1nn2c(nnc2s1)C1CCCC1)[*:1]
CCc1noc(CN(C)C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)n1 Clc1ccc(cc1)O[*:1] CCc1noc(CN(C)C(=O)NC[C@H](C)[*:1])n1
CCc1noc(CN(C)C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)n1 CCc1noc(n1)[*:1] C[C@@H](CNC(=O)N(C)C[*:1])Oc1ccc(Cl)cc1
CCc1noc(CN(C)C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)n1 CCc1noc(C[*:1])n1 C[C@@H](CNC(=O)N(C)[*:1])Oc1ccc(Cl)cc1
CCc1noc(CN(C)C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCc1noc(CN(C)C(=O)NC[C@H](C)O[*:1])n1
COc1cccc([C@H]2SC[C@@H](C(=O)[O-])N2C(C)=O)c1 O=C([O-])[*:1] COc1cccc(c1)[C@H]1SC[C@@H](N1C(C)=O)[*:1]
CCOc1ccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)NCCc1cc(F)cc2COCOc12
c1ccc2c(c1)SCCCN2Cc1nnc(C2CC2)o1 C1CC1[*:1] c1ccc2c(c1)SCCCN2Cc1nnc(o1)[*:1]
CCc1c(NC(=O)N2CC[C@@H](C)[C@H](O)C2)noc1-c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CCc1c(noc1[*:1])NC(=O)N1CC[C@@H](C)[C@H](O)C1
COc1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3cccc(O)c3)cc2)cc1 Oc1cccc(C=C[*:1])c1 COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)[*:1]
COc1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3cccc(O)c3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(/C=C/c1cccc(O)c1)c1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3cccc(O)c3)cc2)cc1 Oc1cccc(c1)[*:1] COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)C=C[*:1]
N#CC1(NC(=O)c2cc(-c3ccc(Cl)s3)on2)CCCCC1 Clc1ccc(s1)[*:1] N#CC1(CCCCC1)NC(=O)c1cc(on1)[*:1]
O=C(CS(=O)(=O)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 O=S(=O)(c1ccccc1)[*:1] O=C(C[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C(CS(=O)(=O)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(CS(=O)(=O)c1ccccc1)N1CCN(CC1)c1cccc(c1)[*:1]
O=C(CS(=O)(=O)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
COc1cccc(NC(=O)CSc2nnc3[nH]c(=O)c(C)nn23)c1 COc1cccc(c1)[*:1] Cc1nn2c(nnc2[nH]c1=O)SCC(=O)N[*:1]
CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1[*:1] CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
CC(C)c1sc(NC(=O)CN2C(=O)c3ccccc3C2=O)nc1-c1ccccc1 CC(C)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccccc2)c(s1)[*:1]
CC(C)c1sc(NC(=O)CN2C(=O)c3ccccc3C2=O)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)c1sc(nc1[*:1])NC(=O)CN1C(=O)c2ccccc2C1=O
COc1cccc([C@H](CNC(=O)Cc2coc3cc4c(cc23)CCC4)[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)Cc1coc2cc3CCCc3cc12)[*:1]
CNC(=O)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 CNC(=O)N[*:1] Cc1cc([nH+]c2ccc(cc12)[*:1])N1CCOCC1
CNC(=O)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 C1CN(CCO1)[*:1] CNC(=O)Nc1ccc2[nH+]c(cc(C)c2c1)[*:1]
C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H](C)c1nc2ccccc2o1 Brc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N[C@@H](C)c1nc2ccccc2o1
C[C@H](Oc1cccc(Br)c1)C(=O)N[C@@H](C)c1nc2ccccc2o1 Brc1cccc(c1)O[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])c1nc2ccccc2o1
Cn1ccnc1[C@@](O)(CCNc1ccc(C#N)cc1F)C(F)(F)F FC(F)(F)[*:1] Cn1ccnc1[C@@](O)(CCNc1ccc(C#N)cc1F)[*:1]
Cn1ccnc1[C@@](O)(CCNc1ccc(C#N)cc1F)C(F)(F)F Cn1ccnc1[*:1] N#Cc1ccc(NCC[C@](O)(C(F)(F)F)[*:1])c(F)c1
C[C@H](CNc1cccc(F)c1C(=O)[O-])C[NH+]1CCCC1 O=C([O-])[*:1] C[C@H](CNc1cccc(F)c1[*:1])C[NH+]1CCCC1
C[C@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@H]1CCCN(C1)C(=O)Nc1ccccc1[*:1]
C[C@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1CCCN(C1)C(=O)Nc1ccccc1C[*:1]
CCC[C@@H](C)[C@H]([NH2+]CC)[C@@H](C)c1ccncc1 CCC[*:1] CC[NH2+][C@H]([C@@H](C)c1ccncc1)[C@H](C)[*:1]
CCC[C@@H](C)[C@H]([NH2+]CC)[C@@H](C)c1ccncc1 CCC[C@@H](C)[*:1] CC[NH2+][C@H]([C@@H](C)c1ccncc1)[*:1]
Cc1[nH]nc(CCC(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1C Cc1[nH]nc(c1C)[*:1] C[C@@H]1CN(CC[C@@]1(O)C1CCOCC1)C(=O)CC[*:1]
Cc1[nH]nc(CCC(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1C C1CC(CCO1)[*:1] Cc1[nH]nc(CCC(=O)N2CC[C@@](O)([C@H](C)C2)[*:1])c1C
Cc1[nH]nc(CCC(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1C Cc1[nH]nc(C[*:1])c1C C[C@@H]1CN(CC[C@@]1(O)C1CCOCC1)C(=O)C[*:1]
COc1ccc(NC(=O)CC[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 C1CC1[*:1] COc1ccc(cc1)NC(=O)CC[NH+]1CCC(CC1)NC(=O)[*:1]
COc1ccc(NC(=O)CC[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 O=C(N[*:1])C1CC1 COc1ccc(cc1)NC(=O)CC[NH+]1CCC(CC1)[*:1]
COc1ccc(NC(=O)CC[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CC[NH+]1CCC(CC1)NC(=O)C1CC1)N[*:1]
COCCN1C(=O)NC(=N)[C@@]12CC[C@@H](C)[C@@H](C)C2 COC[*:1] C[C@H]1C[C@@]2(CC[C@H]1C)C(=N)NC(=O)N2C[*:1]
COCCN1C(=O)NC(=N)[C@@]12CC[C@@H](C)[C@@H](C)C2 COCC[*:1] C[C@H]1C[C@@]2(CC[C@H]1C)C(=N)NC(=O)N2[*:1]
Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3nnc4ccccn34)cs2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)c1csc(n1)[*:1])c1nnc2ccccn12
CCc1n[nH]c(NC(=O)c2ccc(-n3cccc3)nc2)c1Br c1ccn(c1)[*:1] CCc1n[nH]c(NC(=O)c2ccc(nc2)[*:1])c1Br
Cc1ccc(OCCNC(=O)Cc2c[nH]c3c(C)cccc23)cc1 Cc1ccc(cc1)[*:1] Cc1cccc2c(c[nH]c12)CC(=O)NCCO[*:1]
Cc1ccc(OCCNC(=O)Cc2c[nH]c3c(C)cccc23)cc1 Cc1ccc(cc1)O[*:1] Cc1cccc2c(c[nH]c12)CC(=O)NCC[*:1]
C[C@H]1CN(C(=O)Nc2ccc(F)cc2Cl)C[C@@H](c2ccccc2)O1 Fc1ccc(c(Cl)c1)[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)N[*:1]
C[C@H]1CN(C(=O)Nc2ccc(F)cc2Cl)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](O1)[*:1])C(=O)Nc1ccc(F)cc1Cl
CN(C[C@@H](O)CN1CCOCC1)C(=O)C1(c2ccc(F)cc2)CCC1 Fc1ccc(cc1)[*:1] CN(C[C@@H](O)CN1CCOCC1)C(=O)C1(CCC1)[*:1]
CN(C[C@@H](O)CN1CCOCC1)C(=O)C1(c2ccc(F)cc2)CCC1 C1CN(CCO1)C[*:1] CN(C[C@@H](O)[*:1])C(=O)C1(CCC1)c1ccc(F)cc1
CN(C[C@@H](O)CN1CCOCC1)C(=O)C1(c2ccc(F)cc2)CCC1 C1CN(CCO1)[*:1] CN(C[C@@H](O)C[*:1])C(=O)C1(CCC1)c1ccc(F)cc1
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C)c1 Cc1cccc(c1)[*:1] COc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[*:1]
CC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1S(=O)(=O)c1ccc(Cl)cc1 O=S(=O)(c1ccc(Cl)cc1)[*:1] CC(=O)Nc1cc(ccc1[*:1])C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C
CC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1S(=O)(=O)c1ccc(Cl)cc1 CC(=O)N[*:1] C[C@@H]1CCC[C@@H](NC(=O)c2ccc(c(c2)[*:1])S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1C
CC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1S(=O)(=O)[*:1])C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C
Cc1cc(C)cc(CN2C(=O)N[C@](C)(c3cccc(C(N)=O)c3)C2=O)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)CN1C(=O)N[C@@](C)(C1=O)c1cccc(c1)[*:1]
Cc1cc(C)cc(CN2C(=O)N[C@](C)(c3cccc(C(N)=O)c3)C2=O)c1 Cc1cc(C)cc(c1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1cccc(c1)C(N)=O
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=S)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=S)N[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=S)Nc1ccccc1 CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)NNC(=S)Nc1ccccc1
c1cc(-c2ccc(C3CCCCC3)cc2)[nH]n1 c1cc([nH]n1)[*:1] c1cc(ccc1C1CCCCC1)[*:1]
Cc1ccc(N2C(N)=[NH+]C[C@H]2c2ccc(C)s2)cc1 Cc1ccc(s1)[*:1] Cc1ccc(cc1)N1C(N)=[NH+]C[C@@H]1[*:1]
O=C([O-])COCCNC(=O)c1cc(Cl)c2c(c1)OCCO2 O=C([O-])CO[*:1] O=C(NCC[*:1])c1cc(Cl)c2OCCOc2c1
O=C([O-])COCCNC(=O)c1cc(Cl)c2c(c1)OCCO2 O=C([O-])COC[*:1] O=C(NC[*:1])c1cc(Cl)c2OCCOc2c1
O=C([O-])COCCNC(=O)c1cc(Cl)c2c(c1)OCCO2 O=C([O-])COCC[*:1] O=C(N[*:1])c1cc(Cl)c2OCCOc2c1
O=C([O-])COCCNC(=O)c1cc(Cl)c2c(c1)OCCO2 O=C([O-])C[*:1] O=C(NCCO[*:1])c1cc(Cl)c2OCCOc2c1
O=C([O-])COCCNC(=O)c1cc(Cl)c2c(c1)OCCO2 O=C([O-])[*:1] O=C(NCCOC[*:1])c1cc(Cl)c2OCCOc2c1
CO[C@@H]1CCCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 c1coc(c1)[*:1] CO[C@@H]1CCCN(C1)C(=O)c1ccc([nH]c1=O)[*:1]
COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC=NC2=N3)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@H]2[*:1]
COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC=NC2=N3)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1Oc2ccccc2C2N=C3N=CNN3[C@H](C=21)[*:1]
CCOCCN(C)C(=O)C(=O)Nc1ccc(Br)cc1F CCOCC[*:1] CN(C(=O)C(=O)Nc1ccc(Br)cc1F)[*:1]
CCOCCN(C)C(=O)C(=O)Nc1ccc(Br)cc1F CCOC[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc(Br)cc1F
CCOCCN(C)C(=O)C(=O)Nc1ccc(Br)cc1F CCO[*:1] CN(CC[*:1])C(=O)C(=O)Nc1ccc(Br)cc1F
Nn1c(COc2ccccc2F)nnc1SCC(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] Nn1c(COc2ccccc2F)nnc1SC[*:1]
Nn1c(COc2ccccc2F)nnc1SCC(=O)NC1CCCC1 C1CCC(C1)[*:1] Nn1c(COc2ccccc2F)nnc1SCC(=O)N[*:1]
Nn1c(COc2ccccc2F)nnc1SCC(=O)NC1CCCC1 Fc1ccccc1O[*:1] Nn1c(C[*:1])nnc1SCC(=O)NC1CCCC1
Nn1c(COc2ccccc2F)nnc1SCC(=O)NC1CCCC1 Fc1ccccc1[*:1] Nn1c(CO[*:1])nnc1SCC(=O)NC1CCCC1
Cc1cccc(NC(=O)C(=O)NC[C@@](C)(O)c2cccs2)c1 c1csc(c1)[*:1] Cc1cccc(c1)NC(=O)C(=O)NC[C@@](C)(O)[*:1]
Cc1cccc(NC(=O)C(=O)NC[C@@](C)(O)c2cccs2)c1 Cc1cccc(c1)[*:1] C[C@@](O)(CNC(=O)C(=O)N[*:1])c1cccs1
CCn1c[nH+]cc1Cn1cc(-c2cccc(-n3nc(C)cc3C)c2)nn1 Cc1cc(C)n(n1)[*:1] CCn1c[nH+]cc1Cn1cc(nn1)-c1cccc(c1)[*:1]
CC(C)(C)CCNC(=O)Cn1c(=O)oc2ccccc21 CC(C)(C)C[*:1] O=C(Cn1c(=O)oc2ccccc21)NC[*:1]
CC(C)(C)CCNC(=O)Cn1c(=O)oc2ccccc21 CC(C)(C)CC[*:1] O=C(Cn1c(=O)oc2ccccc21)N[*:1]
CC(C)(C)CCNC(=O)Cn1c(=O)oc2ccccc21 CC(C)(C)[*:1] O=C(Cn1c(=O)oc2ccccc21)NCC[*:1]
CCc1cc(C(F)(F)F)c2c(C3CCN(S(=O)(=O)[C@@H](C)CC)CC3)noc2n1 FC(F)(F)[*:1] CCc1cc(c2c(noc2n1)C1CCN(CC1)S(=O)(=O)[C@@H](C)CC)[*:1]
NC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 NC(=O)[*:1] O=C(OCC(=O)N1CCC(CC1)[*:1])c1cc(nc2ccccc12)-c1ccc(F)cc1
NC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 Fc1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)COC(=O)c1cc(nc2ccccc12)[*:1]
CSCc1ccc(NC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 Cc1cc(C)c(c(C)c1)[*:1] CSCc1ccc(cc1)NC(=O)N(C)CC(=O)N[*:1]
CSCc1ccc(NC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 CSCc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)N[*:1])c(C)c1
CSCc1ccc(NC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 CSC[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc(cc2)[*:1])c(C)c1
O=C(CN1CCN(C(=O)NCc2cccs2)CC1)NC1CC1 c1csc(c1)C[*:1] O=C(CN1CCN(CC1)C(=O)N[*:1])NC1CC1
O=C(CN1CCN(C(=O)NCc2cccs2)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)C(=O)NCc1cccs1)N[*:1]
O=C(CN1CCN(C(=O)NCc2cccs2)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(NCc1cccs1)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)NCc2cccs2)CC1)NC1CC1 c1csc(c1)[*:1] O=C(CN1CCN(CC1)C(=O)NC[*:1])NC1CC1
O=C(CN1CCN(C(=O)NCc2cccs2)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NCc1cccs1)N1CCN(CC1)C[*:1]
O=c1ccc([N+](=O)[O-])cn1Cc1ccccc1OCC(F)(F)F O=[N+]([O-])[*:1] O=c1ccc(cn1Cc1ccccc1OCC(F)(F)F)[*:1]
O=c1ccc([N+](=O)[O-])cn1Cc1ccccc1OCC(F)(F)F FC(F)(F)C[*:1] O=c1ccc(cn1Cc1ccccc1O[*:1])[N+](=O)[O-]
O=c1ccc([N+](=O)[O-])cn1Cc1ccccc1OCC(F)(F)F FC(F)(F)[*:1] O=c1ccc(cn1Cc1ccccc1OC[*:1])[N+](=O)[O-]
O=c1ccc([N+](=O)[O-])cn1Cc1ccccc1OCC(F)(F)F FC(F)(F)CO[*:1] O=c1ccc(cn1Cc1ccccc1[*:1])[N+](=O)[O-]
C[C@H](CC(=O)N1CCC(O)(C(F)(F)F)CC1)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CC(=O)N1CCC(O)(CC1)C(F)(F)F)C[*:1]
C[C@H](CC(=O)N1CCC(O)(C(F)(F)F)CC1)Cc1cccc(F)c1 FC(F)(F)[*:1] C[C@H](CC(=O)N1CCC(O)(CC1)[*:1])Cc1cccc(F)c1
C[C@H](CC(=O)N1CCC(O)(C(F)(F)F)CC1)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] C[C@H](CC(=O)N1CCC(O)(CC1)C(F)(F)F)[*:1]
CCCN(CCCl)c1ncnc2c1CCCC2 ClCC[*:1] CCCN(c1ncnc2CCCCc21)[*:1]
CCCN(CCCl)c1ncnc2c1CCCC2 CCC[*:1] ClCCN(c1ncnc2CCCCc21)[*:1]
COC(=O)c1sccc1CSc1nnc(-c2cc(C)cc(C)c2)o1 COC(=O)[*:1] Cc1cc(C)cc(c1)-c1nnc(o1)SCc1ccsc1[*:1]
COC(=O)c1sccc1CSc1nnc(-c2cc(C)cc(C)c2)o1 Cc1cc(C)cc(c1)[*:1] COC(=O)c1sccc1CSc1nnc(o1)[*:1]
COc1cccc(Sc2ccc(N)c(OCC3CC3)n2)c1 C1CC1[*:1] COc1cccc(c1)Sc1ccc(N)c(n1)OC[*:1]
COc1cccc(Sc2ccc(N)c(OCC3CC3)n2)c1 C1CC1C[*:1] COc1cccc(c1)Sc1ccc(N)c(n1)O[*:1]
COc1cccc(Sc2ccc(N)c(OCC3CC3)n2)c1 C1CC1CO[*:1] COc1cccc(c1)Sc1ccc(N)c(n1)[*:1]
Cc1cnc(CNc2cc(-c3ccc(F)cc3)nc(-c3cccnc3)n2)nc1 c1cncc(c1)[*:1] Cc1cnc(CNc2cc(nc(n2)[*:1])-c2ccc(F)cc2)nc1
Cc1cnc(CNc2cc(-c3ccc(F)cc3)nc(-c3cccnc3)n2)nc1 Cc1cnc(CN[*:1])nc1 Fc1ccc(cc1)-c1cc(nc(n1)-c1cccnc1)[*:1]
Cc1cnc(CNc2cc(-c3ccc(F)cc3)nc(-c3cccnc3)n2)nc1 Cc1cnc(nc1)[*:1] Fc1ccc(cc1)-c1cc(nc(n1)-c1cccnc1)NC[*:1]
Cc1cnc(CNc2cc(-c3ccc(F)cc3)nc(-c3cccnc3)n2)nc1 Cc1cnc(C[*:1])nc1 Fc1ccc(cc1)-c1cc(nc(n1)-c1cccnc1)N[*:1]
Cc1cnc(CNc2cc(-c3ccc(F)cc3)nc(-c3cccnc3)n2)nc1 Fc1ccc(cc1)[*:1] Cc1cnc(CNc2cc(nc(n2)-c2cccnc2)[*:1])nc1
CN1C[C@@H](C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccccc3)C2)CC1=O c1ccc(cc1)[*:1] CN1C[C@H](CC1=O)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2[*:1])C1
C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccnc3)nc2)C[C@@H]1O c1cncc(c1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1ccc(nc1)O[*:1]
C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccnc3)nc2)C[C@@H]1O c1cncc(c1)O[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1ccc(nc1)[*:1]
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1F Cc1cc(C)c(C)c(c1C)[*:1] COc1ccc(cc1F)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1F COc1ccc(cc1F)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)COC(=O)Nc1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 CC(C)C[*:1] O=C(Nc1ccn(c(=O)n1)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)O[*:1]
CC(C)COC(=O)Nc1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 CC(C)[*:1] O=C(Nc1ccn(c(=O)n1)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)OC[*:1]
CC(C)COC(=O)Nc1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 CC(C)COC(=O)N[*:1] O=c1nc(ccn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)[*:1]
O=C(c1ccc(Cl)cc1)N1CCCCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(c1ccc(Cl)cc1)N1CCCCC[C@H]1[*:1]
O=C(c1ccc(Cl)cc1)N1CCCCC[C@@H]1c1ccncc1 Clc1ccc(cc1)[*:1] O=C(N1CCCCC[C@@H]1c1ccncc1)[*:1]
O=C([O-])[C@@H]1C[C@@H](Br)C[NH2+]1 O=C([O-])[*:1] Br[C@H]1C[NH2+][C@@H](C1)[*:1]
O=C1CCCc2cc(OC(=O)c3scnc3C3CC3)ccc21 C1CC1[*:1] O=C1CCCc2cc(ccc21)OC(=O)c1scnc1[*:1]
COc1ccc(/C([O-])=C(\C#N)C(=O)Nc2ccccc2OC)c(C)c1 COc1ccccc1[*:1] COc1ccc(/C([O-])=C(\C#N)C(=O)N[*:1])c(C)c1
CCOc1cc2c(cc1OCC)CN(c1cccc(C(=O)OC)n1)CC2 CCO[*:1] CCOc1cc2CCN(Cc2cc1[*:1])c1cccc(n1)C(=O)OC
CCOc1cc2c(cc1OCC)CN(c1cccc(C(=O)OC)n1)CC2 COC(=O)[*:1] CCOc1cc2CCN(Cc2cc1OCC)c1cccc(n1)[*:1]
CCOc1cc2c(cc1OCC)CN(c1cccc(C(=O)OC)n1)CC2 CCO[*:1] CCOc1cc2CN(CCc2cc1[*:1])c1cccc(n1)C(=O)OC
CO[C@H](C)C(=O)N1CCCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] CO[C@H](C)C(=O)N1CCCN(CC1)C(=O)[*:1]
CO[C@H](C)C(=O)N1CCCN(C(=O)c2ccncc2)CC1 CO[C@H](C)[*:1] O=C(c1ccncc1)N1CCCN(CC1)C(=O)[*:1]
Cc1cc(Br)cc([N+](=O)[O-])c1OCCC(=O)[O-] O=[N+]([O-])[*:1] Cc1cc(Br)cc(c1OCCC(=O)[O-])[*:1]
Cc1cc(Br)cc([N+](=O)[O-])c1OCCC(=O)[O-] O=C([O-])C[*:1] Cc1cc(Br)cc(c1OC[*:1])[N+](=O)[O-]
Cc1cc(Br)cc([N+](=O)[O-])c1OCCC(=O)[O-] O=C([O-])[*:1] Cc1cc(Br)cc(c1OCC[*:1])[N+](=O)[O-]
Cc1cc(Br)cc([N+](=O)[O-])c1OCCC(=O)[O-] O=C([O-])CC[*:1] Cc1cc(Br)cc(c1O[*:1])[N+](=O)[O-]
COc1cccc(NC(=O)[C@H](OC(=O)c2cc(C)oc2C)c2ccccc2)c1 Cc1cc(c(C)o1)[*:1] COc1cccc(c1)NC(=O)[C@H](OC(=O)[*:1])c1ccccc1
COc1cccc(NC(=O)[C@H](OC(=O)c2cc(C)oc2C)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@H](OC(=O)c1cc(C)oc1C)[*:1]
COc1cccc(NC(=O)[C@H](OC(=O)c2cc(C)oc2C)c2ccccc2)c1 COc1cccc(c1)[*:1] Cc1cc(C(=O)O[C@@H](C(=O)N[*:1])c2ccccc2)c(C)o1
O=C(CCc1ccc(Cl)s1)O[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] O=C(CCc1ccc(Cl)s1)O[*:1]
N#C[C@@]1(NC2CC2)CCC[C@@H](Oc2ccc(F)cc2F)C1 C1CC1[*:1] N#C[C@]1(CCC[C@H](C1)Oc1ccc(F)cc1F)N[*:1]
N#C[C@@]1(NC2CC2)CCC[C@@H](Oc2ccc(F)cc2F)C1 C1CC1N[*:1] N#C[C@]1(CCC[C@H](C1)Oc1ccc(F)cc1F)[*:1]
C[C@@H]1CN(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)O1 O=[N+]([O-])[*:1] C[C@@H]1CN(CCNc2ccc(cc2[*:1])C(F)(F)F)C(=O)O1
C[C@@H]1CN(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)O1 FC(F)(F)[*:1] C[C@@H]1CN(CCNc2ccc(cc2[N+](=O)[O-])[*:1])C(=O)O1
COC(=O)CCc1cn(C)c(=O)n(C)c1=O COC(=O)[*:1] Cn1cc(CC[*:1])c(=O)n(C)c1=O
COC(=O)CCc1cn(C)c(=O)n(C)c1=O COC(=O)C[*:1] Cn1cc(C[*:1])c(=O)n(C)c1=O
Cc1cc([N+](=O)[O-])ccc1N[C@@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] Cc1cc(ccc1N[C@@H](c1ccccc1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1N[C@@H](c1ccccc1)c1ccccn1 O=[N+]([O-])[*:1] Cc1cc(ccc1N[C@@H](c1ccccc1)c1ccccn1)[*:1]
Cc1cc([N+](=O)[O-])ccc1N[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] Cc1cc(ccc1N[C@@H](c1ccccn1)[*:1])[N+](=O)[O-]
CC(C)c1ccccc1OC(=O)CSCC(F)(F)F FC(F)(F)CS[*:1] CC(C)c1ccccc1OC(=O)C[*:1]
CC(C)c1ccccc1OC(=O)CSCC(F)(F)F CC(C)[*:1] O=C(CSCC(F)(F)F)Oc1ccccc1[*:1]
CC(C)c1ccccc1OC(=O)CSCC(F)(F)F FC(F)(F)[*:1] CC(C)c1ccccc1OC(=O)CSC[*:1]
CC(C)c1ccccc1OC(=O)CSCC(F)(F)F FC(F)(F)C[*:1] CC(C)c1ccccc1OC(=O)CS[*:1]
C[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)[*:1]
CS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(c1)[*:1]
CCC[C@H](C)C(=O)N(C)Cc1ncnn1C CCC[*:1] C[C@H](C(=O)N(C)Cc1ncnn1C)[*:1]
CCC[C@H](C)C(=O)N(C)Cc1ncnn1C CCC[C@H](C)[*:1] CN(Cc1ncnn1C)C(=O)[*:1]
COCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cc(C)ccc1OC COCC[*:1] COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+][*:1]
COCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cc(C)ccc1OC COC[*:1] COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[*:1]
CC[C@H]1CCCN1c1nc(C(F)(F)F)ccc1C(N)=S FC(F)(F)[*:1] CC[C@H]1CCCN1c1nc(ccc1C(N)=S)[*:1]
CC[C@H]1CCCN1c1nc(C(F)(F)F)ccc1C(N)=S NC(=S)[*:1] CC[C@H]1CCCN1c1nc(ccc1[*:1])C(F)(F)F
CC(C)Cn1ncnc1C[C@H](CCl)c1cccc(F)c1 CC(C)C[*:1] Fc1cccc(c1)[C@@H](CCl)Cc1ncnn1[*:1]
CC(C)Cn1ncnc1C[C@H](CCl)c1cccc(F)c1 CC(C)[*:1] Fc1cccc(c1)[C@@H](CCl)Cc1ncnn1C[*:1]
Cc1ccc(Sc2nsc(NC(=O)c3ccc([O-])nn3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(ns1)S[*:1])c1ccc([O-])nn1
Cc1ccc(Sc2nsc(NC(=O)c3ccc([O-])nn3)n2)cc1 [O-]c1ccc(nn1)[*:1] Cc1ccc(cc1)Sc1nsc(n1)NC(=O)[*:1]
CCn1nc(C)c(NC(=O)N[C@H](C)[C@H](C)N2CCOCC2)c1C C1CN(CCO1)[*:1] CCn1nc(C)c(NC(=O)N[C@H](C)[C@H](C)[*:1])c1C
O=C(CCSc1ccccc1)NCC1CCN(C(=O)c2cccnc2)CC1 c1ccc(cc1)SCC[*:1] O=C(c1cccnc1)N1CCC(CC1)CNC(=O)[*:1]
O=C(CCSc1ccccc1)NCC1CCN(C(=O)c2cccnc2)CC1 c1ccc(cc1)[*:1] O=C(CCS[*:1])NCC1CCN(CC1)C(=O)c1cccnc1
O=C(CCSc1ccccc1)NCC1CCN(C(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] O=C(CCSc1ccccc1)NCC1CCN(CC1)C(=O)[*:1]
O=C(CCSc1ccccc1)NCC1CCN(C(=O)c2cccnc2)CC1 c1ccc(cc1)S[*:1] O=C(CC[*:1])NCC1CCN(CC1)C(=O)c1cccnc1
O=C(CCSc1ccccc1)NCC1CCN(C(=O)c2cccnc2)CC1 c1ccc(cc1)SC[*:1] O=C(C[*:1])NCC1CCN(CC1)C(=O)c1cccnc1
CCCOc1ccc2ccccc2c1C[NH2+]Cc1ccco1 c1coc(c1)[*:1] CCCOc1ccc2ccccc2c1C[NH2+]C[*:1]
CCCOc1ccc2ccccc2c1C[NH2+]Cc1ccco1 c1coc(c1)C[*:1] CCCOc1ccc2ccccc2c1C[NH2+][*:1]
CCCOc1ccc2ccccc2c1C[NH2+]Cc1ccco1 CCCO[*:1] c1coc(c1)C[NH2+]Cc1c(ccc2ccccc12)[*:1]
CCCOc1ccc2ccccc2c1C[NH2+]Cc1ccco1 CCC[*:1] c1coc(c1)C[NH2+]Cc1c(ccc2ccccc12)O[*:1]
O=C(NCc1cccnc1)NC[C@H]1CCCN(c2ncccn2)C1 c1cncc(c1)C[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)N[*:1]
O=C(NCc1cccnc1)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(NCc1cccnc1)NC[C@H]1CCCN(C1)[*:1]
O=C(NCc1cccnc1)NC[C@H]1CCCN(c2ncccn2)C1 c1cncc(c1)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)NC[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 COc1ccccc1[*:1] O=C(c1cn(nn1)C(c1ccccc1)c1ccccc1)N1CCC[C@@H]1[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 c1ccc(cc1)[*:1] COc1ccccc1[C@H]1CCCN1C(=O)c1cn(nn1)C(c1ccccc1)[*:1]
CC(C)(C)OC(=O)N1CCC(O)(CC#N)CC1 CC(C)(C)[*:1] N#CCC1(O)CCN(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC(O)(CC#N)CC1 N#CC[*:1] CC(C)(C)OC(=O)N1CCC(O)(CC1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Br FC(F)(F)[*:1] COc1ccc(cc1Br)S(=O)(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(=O)c1ccc(C(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)cc1 CC(=O)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)c1ccc(cc1)[*:1]
CC(C)[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1cccnc1 FC(F)(F)[*:1] CC(C)[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1cccnc1
CC(C)[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1cccnc1 CC(C)[*:1] FC(F)(F)c1cccc(c1)C[NH2+][C@@H](c1cccnc1)[*:1]
CC(C)[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H]([NH2+]Cc1cccc(c1)C(F)(F)F)[*:1]
O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccc(F)cc1
O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(Nc1ccccc1)c1ccc(cc1)NS(=O)(=O)[*:1]
CNC(=O)Cn1cc(N[C@H]2CCCC2(C)C)cn1 CNC(=O)C[*:1] CC1(C)CCC[C@@H]1Nc1cnn(c1)[*:1]
CNC(=O)Cn1cc(N[C@H]2CCCC2(C)C)cn1 CNC(=O)[*:1] CC1(C)CCC[C@@H]1Nc1cnn(c1)C[*:1]
COc1cccc2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(=O)oc12 c1ccc(cc1)[*:1] COc1cccc2cc(C(=O)Nc3c(C)n(C)n(c3=O)[*:1])c(=O)oc12
COc1ccc(-c2nnc(COC(=O)c3cccc4c3O[C@@H](C)[C@@H]4C)o2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1Oc2c(cccc2[C@H]1C)C(=O)OCc1nnc(o1)[*:1]
CC(C)OCCN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)OCCN1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
CC(C)OCCN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 CC(C)[*:1] O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCN(CCO[*:1])CC1
CC(C)OCCN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 CC(C)O[*:1] O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCN(CC1)CC[*:1]
CC(C)OCCN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 CC(C)OCC[*:1] O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCN(CC1)[*:1]
CC(C)OCCN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 CC(C)OC[*:1] O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCN(CC1)C[*:1]
C[C@@](O)(CNc1ccc2nnc(-c3ccccc3)n2n1)c1ccsc1 c1cc(cs1)[*:1] C[C@@](O)(CNc1ccc2nnc(-c3ccccc3)n2n1)[*:1]
C[C@@](O)(CNc1ccc2nnc(-c3ccccc3)n2n1)c1ccsc1 c1ccc(cc1)[*:1] C[C@@](O)(CNc1ccc2nnc(n2n1)[*:1])c1ccsc1
COC(=O)CCNC(=O)c1cc(Cl)cc(Br)c1O COC(=O)CC[*:1] O=C(N[*:1])c1cc(Cl)cc(Br)c1O
COC(=O)CCNC(=O)c1cc(Cl)cc(Br)c1O COC(=O)[*:1] O=C(NCC[*:1])c1cc(Cl)cc(Br)c1O
COC(=O)CCNC(=O)c1cc(Cl)cc(Br)c1O COC(=O)C[*:1] O=C(NC[*:1])c1cc(Cl)cc(Br)c1O
CC(C)Oc1cccc(/C=C/CCl)c1 ClCC=C[*:1] CC(C)Oc1cccc(c1)[*:1]
CC(C)Oc1cccc(/C=C/CCl)c1 CC(C)[*:1] ClC/C=C/c1cccc(c1)O[*:1]
CC(C)Oc1cccc(/C=C/CCl)c1 CC(C)O[*:1] ClC/C=C/c1cccc(c1)[*:1]
Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cc(C(C)C)no4)C3)cc2n1 CC(C)[*:1] Cc1cc(n2nc(cc2n1)[C@@H]1CCCN(C1)C(=O)c1cc(no1)[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cc(C(C)C)no4)C3)cc2n1 CC(C)c1cc(on1)[*:1] Cc1cc(n2nc(cc2n1)[C@@H]1CCCN(C1)C(=O)[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cc(C(C)C)no4)C3)cc2n1 FC(F)(F)[*:1] Cc1cc(n2nc(cc2n1)[C@@H]1CCCN(C1)C(=O)c1cc(no1)C(C)C)[*:1]
C[C@](O)(CNC(=O)c1ncccc1OCC(F)(F)F)c1cccs1 FC(F)(F)[*:1] C[C@](O)(CNC(=O)c1ncccc1OC[*:1])c1cccs1
C[C@](O)(CNC(=O)c1ncccc1OCC(F)(F)F)c1cccs1 FC(F)(F)CO[*:1] C[C@](O)(CNC(=O)c1ncccc1[*:1])c1cccs1
C[C@](O)(CNC(=O)c1ncccc1OCC(F)(F)F)c1cccs1 FC(F)(F)C[*:1] C[C@](O)(CNC(=O)c1ncccc1O[*:1])c1cccs1
C[C@](O)(CNC(=O)c1ncccc1OCC(F)(F)F)c1cccs1 c1csc(c1)[*:1] C[C@](O)(CNC(=O)c1ncccc1OCC(F)(F)F)[*:1]
C[C@@H]1CCC[C@@H]1Nc1ccc(C(=O)Nc2nncs2)cn1 c1nnc(s1)[*:1] C[C@@H]1CCC[C@@H]1Nc1ccc(cn1)C(=O)N[*:1]
C[C@@H]1CCC[C@@H]1Nc1ccc(C(=O)Nc2nncs2)cn1 C[C@@H]1CCC[C@@H]1N[*:1] O=C(Nc1nncs1)c1ccc(nc1)[*:1]
COCCN(Cc1cccs1)C(=O)c1csc(-c2ccc(C)cc2)n1 COC[*:1] Cc1ccc(cc1)-c1nc(cs1)C(=O)N(Cc1cccs1)C[*:1]
COCCN(Cc1cccs1)C(=O)c1csc(-c2ccc(C)cc2)n1 c1csc(c1)[*:1] COCCN(C[*:1])C(=O)c1csc(n1)-c1ccc(C)cc1
COCCN(Cc1cccs1)C(=O)c1csc(-c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] COCCN(Cc1cccs1)C(=O)c1csc(n1)[*:1]
COCCN(Cc1cccs1)C(=O)c1csc(-c2ccc(C)cc2)n1 c1csc(c1)C[*:1] COCCN(C(=O)c1csc(n1)-c1ccc(C)cc1)[*:1]
COCCN(Cc1cccs1)C(=O)c1csc(-c2ccc(C)cc2)n1 COCC[*:1] Cc1ccc(cc1)-c1nc(cs1)C(=O)N(Cc1cccs1)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)Nc1cccnc1Cl c1ccc(nc1)[*:1] C[C@H](N(C)C(=O)Nc1cccnc1Cl)[*:1]
O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)[*:1]
O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(N[C@H](c1ccccc1)c1cccs1)N[*:1]
O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)N[C@H](c1cccs1)[*:1]
Cc1ccc([C@H]2C[C@@H](c3cccc4ccccc34)n3ncnc3N2)cc1 Cc1ccc(cc1)[*:1] c1ccc2c(cccc2c1)[C@@H]1C[C@@H](Nc2ncnn21)[*:1]
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C Cc1ccccc1[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@@H]1c1ccncc1 C1CO[C@@H](C1)[*:1] O=C(c1cnc(s1)[*:1])N1CCC[C@@H]1c1ccncc1
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC[C@H]1[*:1]
COc1cccc(O[C@@H](F)C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)O[C@@H](F)[*:1]
CC(C)c1ccc(S(=O)(=O)N(C)CC(C)(C)O)cc1 CC(C)[*:1] CN(CC(C)(C)O)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)N(C)CC(C)(C)O)cc1 CC(C)(O)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N(C)C[*:1]
CC(C)c1ccc(S(=O)(=O)N(C)CC(C)(C)O)cc1 CC(C)(O)C[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N(C)[*:1]
CC(=O)N(C)C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 c1ccc(nc1)[*:1] CC(=O)N(C)C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
CC(=O)N(C)C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 CC(=O)N(C)[*:1] c1ccc(nc1)-c1cccc(c1)C[NH+]1CCC(CC1)[*:1]
CN(Cc1ccc(Br)cc1)C(=O)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(Br)cc1)C(=O)[C@@H](O)[*:1]
CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 O=[N+]([O-])[*:1] CC[C@H](C)Sc1nc(=O)c2c(NC3CC(C)(C)CC(=O)C=3[C@@H]2c2cc3OCOc3cc2[*:1])[nH]1
CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 CC[C@H](C)S[*:1] CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(nc(=O)c1[C@H]2c1cc2OCOc2cc1[N+](=O)[O-])[*:1]
CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 CC[C@H](C)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(nc(=O)c1[C@H]2c1cc2OCOc2cc1[N+](=O)[O-])S[*:1]
COC(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(OC)c1F COC(=O)[*:1] COc1cccc(C(=O)N[C@@H]2CCC[C@@H]2[*:1])c1F
CCCOc1ncnc(Sc2ccccc2Cl)c1N CCC[*:1] Nc1c(ncnc1Sc1ccccc1Cl)O[*:1]
CCCOc1ncnc(Sc2ccccc2Cl)c1N CCCO[*:1] Nc1c(ncnc1[*:1])Sc1ccccc1Cl
CCOc1cccc([C@H]([NH3+])[C@@H]2CN3CCC[C@@H]3CO2)c1 CCO[*:1] [NH3+][C@@H](c1cccc(c1)[*:1])[C@@H]1CN2CCC[C@@H]2CO1
CCN(C)[C@@H](C(=O)Nc1ccc(C)c(N2CCOC2=O)c1)c1ccccc1 O=C1OCCN1[*:1] CCN(C)[C@@H](C(=O)Nc1ccc(C)c(c1)[*:1])c1ccccc1
CCN(C)[C@@H](C(=O)Nc1ccc(C)c(N2CCOC2=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C)[C@@H](C(=O)Nc1ccc(C)c(c1)N1CCOC1=O)[*:1]
CCN(C)[C@@H](C(=O)Nc1ccc(C)c(N2CCOC2=O)c1)c1ccccc1 CCN(C)[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)[C@@H](c1ccccc1)[*:1]
COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN23)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)[C@@H]1Oc2c(cccc2[C@H]2CC(=NN12)[*:1])OC
COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN23)cc1OC COc1ccc(cc1OC)[*:1] COc1cccc2c1O[C@H](N1N=C(C[C@H]21)c1cccs1)[*:1]
CCCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 CCC[*:1] O=S(=O)(NC1CCN(CC1)S(=O)(=O)[*:1])c1ccc(F)cc1
CCCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
CCOC(=O)[C@H]1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1 C1CN(CCO1)[*:1] CCOC(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)C[*:1]
CCOC(=O)[C@H]1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1 C1CN(CCO1)C[*:1] CCOC(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCOC(=O)[C@H]1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1 CCOC(=O)[*:1] O=C1C[C@@H](CN1c1ccc(cc1)CN1CCOCC1)[*:1]
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)[*:1]
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc(C)cc1 c1cc(ccn1)[*:1] COc1cc(/C=N/NC(=O)[*:1])ccc1OC(=O)c1ccc(C)cc1
CN(C)C(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 C1CC1[*:1] CN(C)C(=O)N(Cc1ccc(cc1)OS(=O)(=O)c1ccc(F)cc1)[*:1]
CN(C)C(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 CN(C)C(=O)N(C1CC1)[*:1] O=S(=O)(Oc1ccc(cc1)C[*:1])c1ccc(F)cc1
CN(C)C(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 Fc1ccc(cc1)[*:1] CN(C)C(=O)N(Cc1ccc(cc1)OS(=O)(=O)[*:1])C1CC1
O=C([O-])c1c(/C=C2/SC(=S)N=C2[O-])cnc2ccccc12 O=C([O-])[*:1] [O-]C1=NC(=S)S/C1=C/c1cnc2ccccc2c1[*:1]
Cc1cc(OCCn2c([C@@H](C)NC(=O)c3cccnc3)nc3ccccc32)cc(C)c1Cl Cc1cc(cc(C)c1Cl)O[*:1] C[C@@H](NC(=O)c1cccnc1)c1nc2ccccc2n1CC[*:1]
Cc1cc(OCCn2c([C@@H](C)NC(=O)c3cccnc3)nc3ccccc32)cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] C[C@@H](NC(=O)c1cccnc1)c1nc2ccccc2n1CCO[*:1]
Cc1cc(OCCn2c([C@@H](C)NC(=O)c3cccnc3)nc3ccccc32)cc(C)c1Cl O=C(N[*:1])c1cccnc1 Cc1cc(cc(C)c1Cl)OCCn1c(nc2ccccc21)[C@@H](C)[*:1]
Cc1cc(OCCn2c([C@@H](C)NC(=O)c3cccnc3)nc3ccccc32)cc(C)c1Cl c1cncc(c1)[*:1] Cc1cc(cc(C)c1Cl)OCCn1c(nc2ccccc21)[C@@H](C)NC(=O)[*:1]
Cc1ccccc1[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)C(C)C CC(C)[*:1] Cc1ccccc1[C@H]([NH2+]Cc1ccc(nc1)N1CCO[C@H](C)C1)[*:1]
Cc1ccccc1[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)C(C)C C[C@@H]1CN(CCO1)[*:1] Cc1ccccc1[C@H]([NH2+]Cc1ccc(nc1)[*:1])C(C)C
Cc1ccccc1[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(nc1)N1CCO[C@H](C)C1)[*:1]
O=C(NC[C@H]1CCS(=O)(=O)C1)N(Cc1ccncc1)C1CC1 c1cc(ccn1)C[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)N(C1CC1)[*:1]
O=C(NC[C@H]1CCS(=O)(=O)C1)N(Cc1ccncc1)C1CC1 C1CC1[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)N(Cc1ccncc1)[*:1]
O=C(NC[C@H]1CCS(=O)(=O)C1)N(Cc1ccncc1)C1CC1 c1cc(ccn1)[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)N(C[*:1])C1CC1
COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)N[C@H]2CCCC[C@H]2C)N(Cc2cccs2)C1=O c1csc(c1)[*:1] COc1ccc(OC)c2c1cc1C(=O)N(C[*:1])[C@@](C)(Cn12)C(=O)N[C@H]1CCCC[C@H]1C
COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)N[C@H]2CCCC[C@H]2C)N(Cc2cccs2)C1=O c1csc(c1)C[*:1] COc1ccc(OC)c2c1cc1C(=O)N([C@@](C)(Cn12)C(=O)N[C@H]1CCCC[C@H]1C)[*:1]
Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)Cn3c[nH+]c(C)c3C)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1[nH+]cn(C[C@@H](C)[NH2+][C@@H]2CCCN(C2=O)[*:1])c1C
Cn1cc(S(=O)(=O)N2CCN(CC3CC3)c3ccccc32)cn1 C1CC1C[*:1] Cn1cc(cn1)S(=O)(=O)N1CCN(c2ccccc21)[*:1]
Cn1cc(S(=O)(=O)N2CCN(CC3CC3)c3ccccc32)cn1 C1CC1[*:1] Cn1cc(cn1)S(=O)(=O)N1CCN(C[*:1])c2ccccc21
Cn1cc(S(=O)(=O)N2CCN(CC3CC3)c3ccccc32)cn1 Cn1cc(cn1)[*:1] O=S(=O)(N1CCN(CC2CC2)c2ccccc21)[*:1]
CCN(CC)C(=O)CSc1nnc(N2CCCC2)n1-c1ccccc1Cl Clc1ccccc1[*:1] CCN(CC)C(=O)CSc1nnc(N2CCCC2)n1[*:1]
CCN(CC)C(=O)CSc1nnc(N2CCCC2)n1-c1ccccc1Cl CCN(CC)C(=O)[*:1] Clc1ccccc1-n1c(nnc1N1CCCC1)SC[*:1]
CCN(CC)C(=O)CSc1nnc(N2CCCC2)n1-c1ccccc1Cl CCN(CC)C(=O)C[*:1] Clc1ccccc1-n1c(nnc1N1CCCC1)S[*:1]
CCN(CC)C(=O)CSc1nnc(N2CCCC2)n1-c1ccccc1Cl C1CCN(C1)[*:1] CCN(CC)C(=O)CSc1nnc(n1-c1ccccc1Cl)[*:1]
Cn1cc(CN2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)c(-c2cccnc2)n1 CC(C)(C)[*:1] Cn1cc(CN2CCO[C@@H](C2)c2nc(cs2)[*:1])c(n1)-c1cccnc1
Cn1cc(CN2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)c(-c2cccnc2)n1 c1cncc(c1)[*:1] Cn1cc(CN2CCO[C@@H](C2)c2nc(cs2)C(C)(C)C)c(n1)[*:1]
Cn1cc(CN2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)c(-c2cccnc2)n1 CC(C)(C)c1csc(n1)[*:1] Cn1cc(CN2CCO[C@H](C2)[*:1])c(n1)-c1cccnc1
O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)NCCN1CCCC1=O O=C1CCCN1CC[*:1] O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)N[*:1]
O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)NCCN1CCCC1=O O=C1CCCN1C[*:1] O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)NC[*:1]
O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)NCCN1CCCC1=O O=C1CCCN1[*:1] O=C(CN1CC2(CCOCC2)Oc2ccccc2C1=O)NCC[*:1]
Fc1cc(Br)ccc1OCc1coc(-c2cccs2)n1 c1csc(c1)[*:1] Fc1cc(Br)ccc1OCc1coc(n1)[*:1]
Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(Cl)c(cc1[*:1])S(=O)(=O)N[C@H](C)CC[NH+](C)C
CCc1nn(C)c(CC)c1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCc1nn(C)c(CC)c1C[NH+]1CCC(CC1)C(=O)N[*:1]
O=[N+]([O-])c1cc(F)ccc1Sc1nnc(NCc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1cc(F)ccc1Sc1nnc(NC[*:1])s1
O=[N+]([O-])c1cc(F)ccc1Sc1nnc(NCc2ccc(F)cc2)s1 O=[N+]([O-])[*:1] Fc1ccc(cc1)CNc1nnc(Sc2ccc(F)cc2[*:1])s1
O=[N+]([O-])c1cc(F)ccc1Sc1nnc(NCc2ccc(F)cc2)s1 Fc1ccc(cc1)C[*:1] O=[N+]([O-])c1cc(F)ccc1Sc1nnc(N[*:1])s1
CCc1nc(C)c([C@H](C)OC(=O)[C@@H](C)SC)s1 CS[C@H](C)[*:1] CCc1nc(C)c(s1)[C@H](C)OC(=O)[*:1]
CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)NC4CC4)CC3)cc(C)c2c1 O=C(NC1CC1)[*:1] CC(=O)Nc1ccc2[nH+]c(cc(C)c2c1)N1CCC(CC1)[*:1]
CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)NC4CC4)CC3)cc(C)c2c1 C1CC1[*:1] CC(=O)Nc1ccc2[nH+]c(cc(C)c2c1)N1CCC(CC1)C(=O)N[*:1]
CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)NC4CC4)CC3)cc(C)c2c1 CC(=O)N[*:1] Cc1cc([nH+]c2ccc(cc12)[*:1])N1CCC(CC1)C(=O)NC1CC1
Cc1cccc(OCC(=O)O[C@H](C)c2nc(C)no2)c1 Cc1noc(n1)[*:1] Cc1cccc(c1)OCC(=O)O[C@H](C)[*:1]
CC/[NH+]=C(/NC[C@H]1C[C@@H]1c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 c1ccc(cc1)[*:1] CC/[NH+]=C(/NC[C@H]1C[C@H]1[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
C#CCCOC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl C#CC[*:1] CS(=O)(=O)c1cc(C(=O)OC[*:1])c(Cl)cc1Cl
C#CCCOC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl CS(=O)(=O)[*:1] C#CCCOC(=O)c1cc(c(Cl)cc1Cl)[*:1]
C#CCCOC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl C#CCC[*:1] CS(=O)(=O)c1cc(C(=O)O[*:1])c(Cl)cc1Cl
COC[C@H](Nc1ccc2nccnc2n1)c1ccc(F)c(F)c1 COC[*:1] Fc1ccc(cc1F)[C@@H](Nc1ccc2nccnc2n1)[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 Cc1noc(C)c1[*:1] C[C@H](C[*:1])C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12
Cc1noc(C)c1C[C@@H](C)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 Cc1noc(C)c1C[*:1] C[C@@H](C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12)[*:1]
[NH3+]C[C@@H](Cc1nccs1)c1cccc(Br)c1 c1csc(n1)[*:1] [NH3+]C[C@@H](C[*:1])c1cccc(Br)c1
C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 C1CC1[*:1] C[NH+]1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCC(CC1)N(C(=O)Nc1ccc(cc1)NC(=O)C1CC1)[*:1]
C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)N(C[*:1])C(=O)Nc1ccc(cc1)NC(=O)C1CC1
C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 O=C(N[*:1])C1CC1 C[NH+]1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ocnc1CNC(=O)c1c(F)cccc1Cl Cc1ocnc1[*:1] O=C(NC[*:1])c1c(F)cccc1Cl
C/[NH+]=C(/NC[C@H]1CCO[C@@H]1C(C)(C)C)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] C/[NH+]=C(/NC[C@H]1CCO[C@@H]1C(C)(C)C)N1CCN(CC1)[*:1]
C/[NH+]=C(/NC[C@H]1CCO[C@@H]1C(C)(C)C)N1CCN(c2ccccc2O)CC1 CC(C)(C)[*:1] C/[NH+]=C(/NC[C@H]1CCO[C@H]1[*:1])N1CCN(CC1)c1ccccc1O
OC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccco1 c1coc(c1)[*:1] OC[C@@H]([NH2+]Cc1ccc(cc1)-n1ccnc1)[*:1]
OC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccco1 c1cn(cn1)[*:1] OC[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccco1
Cc1ccc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 Cc1ccc(cc1)CC[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@H](C#N)C(=O)C[*:1]
Cc1ccc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 Cc1ccc(cc1)C[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@H](C#N)C(=O)CC[*:1]
Cc1ccc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CCCC(=O)[C@@H](C#N)c1nc(cs1)[*:1]
Cc1ccc(CCCC(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@H](C#N)C(=O)CCC[*:1]
O=C(Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=C(Nc1ccc(Cl)cc1Cl)[*:1]
COc1ccc(NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)cc1CO CC(C)[*:1] COc1ccc(cc1CO)NC(=O)[C@H](Oc1cccc(Cl)c1)[*:1]
COc1ccc(NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)cc1CO Clc1cccc(c1)[*:1] COc1ccc(cc1CO)NC(=O)[C@H](O[*:1])C(C)C
COc1ccc(NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)cc1CO Clc1cccc(c1)O[*:1] COc1ccc(cc1CO)NC(=O)[C@H](C(C)C)[*:1]
COCC(=O)N1CCC(C(=O)N(C)Cc2cc(-c3ccncc3)no2)CC1 COC[*:1] CN(Cc1cc(no1)-c1ccncc1)C(=O)C1CCN(CC1)C(=O)[*:1]
COCC(=O)N1CCC(C(=O)N(C)Cc2cc(-c3ccncc3)no2)CC1 c1cc(ccn1)[*:1] COCC(=O)N1CCC(CC1)C(=O)N(C)Cc1cc(no1)[*:1]
Cc1ccc(CNC(=O)C(=O)Nc2cc(C)nn2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)NC[*:1])n(C)n1
Cc1ccc(CNC(=O)C(=O)Nc2cc(C)nn2C)cc1 Cc1cc(n(C)n1)[*:1] Cc1ccc(cc1)CNC(=O)C(=O)N[*:1]
CCOCCN(C)C(=O)N[C@H]1CCCC[C@H]1C(C)C CCOC[*:1] CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[*:1]
CCOCCN(C)C(=O)N[C@H]1CCCC[C@H]1C(C)C CCOCC[*:1] CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)[*:1]
CCOCCN(C)C(=O)N[C@H]1CCCC[C@H]1C(C)C CC(C)[*:1] CCOCCN(C)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CCOCCN(C)C(=O)N[C@H]1CCCC[C@H]1C(C)C CCO[*:1] CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC[*:1]
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(=O)N=C(N[C@H]1[*:1])N1CCN(CC1)c1cccc(Cl)c1
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@@H]1c1ccc(C)cc1 Clc1cccc(c1)[*:1] CCOC(=O)[C@H]1C(=O)N=C(N[C@@H]1c1ccc(C)cc1)N1CCN(CC1)[*:1]
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@@H]1c1ccc(C)cc1 CCOC(=O)[*:1] Cc1ccc(cc1)[C@H]1NC(=NC(=O)[C@@H]1[*:1])N1CCN(CC1)c1cccc(Cl)c1
COC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C COC(=O)[*:1] Cc1cc(ccc1OC[*:1])S(=O)(=O)N1CCOCC1
COC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C COC(=O)CO[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1
COC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C COC(=O)C[*:1] Cc1cc(ccc1O[*:1])S(=O)(=O)N1CCOCC1
Cc1cc(C)cc([C@H](C)NC(=O)NNc2cccnn2)c1 c1cnnc(c1)[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)NN[*:1]
COC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c4c(ccc3c2=O)OCN(C2CC2)C4)cc1 C1CC1[*:1] COC(=O)c1ccc(cc1)Oc1c(oc2c3CN(COc3ccc2c1=O)[*:1])C(F)(F)F
COC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c4c(ccc3c2=O)OCN(C2CC2)C4)cc1 FC(F)(F)[*:1] COC(=O)c1ccc(cc1)Oc1c(oc2c3CN(COc3ccc2c1=O)C1CC1)[*:1]
COC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c4c(ccc3c2=O)OCN(C2CC2)C4)cc1 COC(=O)c1ccc(cc1)O[*:1] O=c1c(c(oc2c3CN(COc3ccc12)C1CC1)C(F)(F)F)[*:1]
COC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c4c(ccc3c2=O)OCN(C2CC2)C4)cc1 COC(=O)[*:1] O=c1c(Oc2ccc(cc2)[*:1])c(oc2c3CN(COc3ccc12)C1CC1)C(F)(F)F
COC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c4c(ccc3c2=O)OCN(C2CC2)C4)cc1 COC(=O)c1ccc(cc1)[*:1] O=c1c(O[*:1])c(oc2c3CN(COc3ccc12)C1CC1)C(F)(F)F
C[C@H]1CN(C(=O)CCC(=O)Nc2nccs2)CCO1 c1csc(n1)[*:1] C[C@H]1CN(CCO1)C(=O)CCC(=O)N[*:1]
CCc1cccc(NC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c1 CCc1cccc(c1)[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)N[*:1]
COCCN1C[C@H](C(=O)NCc2cccc3[nH]ccc23)CCC1=O COC[*:1] O=C(NCc1cccc2[nH]ccc12)[C@@H]1CCC(=O)N(C1)C[*:1]
COCCN1C[C@H](C(=O)NCc2cccc3[nH]ccc23)CCC1=O COCC[*:1] O=C(NCc1cccc2[nH]ccc12)[C@@H]1CCC(=O)N(C1)[*:1]
CN(Cc1nc(-c2ccncc2)no1)C(=O)CCCc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1nc(no1)-c1ccncc1)C(=O)CCC[*:1]
CN(Cc1nc(-c2ccncc2)no1)C(=O)CCCc1ccccc1 c1ccc(cc1)C[*:1] CN(Cc1nc(no1)-c1ccncc1)C(=O)CC[*:1]
CN(Cc1nc(-c2ccncc2)no1)C(=O)CCCc1ccccc1 c1cc(ccn1)[*:1] CN(Cc1nc(no1)[*:1])C(=O)CCCc1ccccc1
CN(Cc1nc(-c2ccncc2)no1)C(=O)CCCc1ccccc1 c1ccc(cc1)CC[*:1] CN(Cc1nc(no1)-c1ccncc1)C(=O)C[*:1]
C[NH+](C)[C@@H](CNC(=O)Cc1cnn(-c2ccccc2)c1)C1CC1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Cc1cnn(c1)[*:1])C1CC1
C[NH+](C)[C@@H](CNC(=O)Cc1cnn(-c2ccccc2)c1)C1CC1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)Cc1cnn(c1)-c1ccccc1)[*:1]
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)[*:1]
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CCCO2)c1 CN(C)[*:1] O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(c1)[*:1]
O=C([O-])c1ccc(Br)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 O=C([O-])[*:1] O=C(NC(=S)Nc1cc(ccc1Br)[*:1])c1ccc(F)cc1
O=C([O-])c1ccc(Br)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] O=C([O-])c1ccc(Br)c(c1)NC(=S)NC(=O)[*:1]
CCNC(=O)NNC(=O)c1ccccc1OCc1c(C)noc1C Cc1noc(C)c1C[*:1] CCNC(=O)NNC(=O)c1ccccc1O[*:1]
CCNC(=O)NNC(=O)c1ccccc1OCc1c(C)noc1C Cc1noc(C)c1[*:1] CCNC(=O)NNC(=O)c1ccccc1OC[*:1]
Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)C)o1 CC(C)C[*:1] Cc1ccc(o1)[C@@H](C)[NH2+][C@H](C)[*:1]
Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)C)o1 CC(C)[*:1] Cc1ccc(o1)[C@@H](C)[NH2+][C@H](C)C[*:1]
O=C(N[C@@H]1NN[C@@H](C(c2ccccc2)c2ccccc2)S1)c1ncn[n-]1 c1ccc(cc1)[*:1] O=C(N[C@@H]1NN[C@H](S1)C(c1ccccc1)[*:1])c1ncn[n-]1
COC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 COC[*:1] C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[NH+](CC1)[C@H](C)[*:1]
COC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] COC[C@@H](C)[NH+]1CCN(CC1)[C@@H](C)C(=O)NC(=O)N[*:1]
O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@H](O)c2ccccc2F)CC1 Brc1cccc(c1)[*:1] O=S(=O)(N1CCN(CC1)C[C@H](O)c1ccccc1F)[*:1]
O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@H](O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=S(=O)(c1cccc(Br)c1)N1CCN(CC1)C[C@H](O)[*:1]
Cc1cc(C)n2c(SCCC(=O)Nc3ccnn3C3CCCC3)nnc2n1 C1CCC(C1)[*:1] Cc1cc(C)n2c(nnc2n1)SCCC(=O)Nc1ccnn1[*:1]
COCc1nc(C(=O)Nc2ccc(NC(C)=O)cc2Cl)cs1 COC[*:1] CC(=O)Nc1ccc(NC(=O)c2csc(n2)[*:1])c(Cl)c1
COCc1nc(C(=O)Nc2ccc(NC(C)=O)cc2Cl)cs1 CC(=O)N[*:1] COCc1nc(cs1)C(=O)Nc1ccc(cc1Cl)[*:1]
O=C(c1ccccc1)[C@H]1N[C@@H]1c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] O=C([C@H]1N[C@@H]1c1ccccc1[N+](=O)[O-])[*:1]
O=C(c1ccccc1)[C@H]1N[C@@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(c1ccccc1)[C@H]1N[C@@H]1c1ccccc1[*:1]
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 CC[C@H](C)[*:1] O=C([C@H]1Cc2ccccc2CN1C(=O)[*:1])N1CCO[C@@H](C1)c1ccc(Br)cc1
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@H](C1)[*:1]
C=CCN(C(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1nc(-c2ccccc2)cs1 C=CC[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CC(=O)N(c1nc(cs1)-c1ccccc1)[*:1]
C=CCN(C(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C=CCN(C(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1nc(cs1)[*:1]
N#Cc1ccc(OC2CCC(NC(=O)c3cccnc3)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(NC1CCC(CC1)O[*:1])c1cccnc1
N#Cc1ccc(OC2CCC(NC(=O)c3cccnc3)CC2)nc1 c1cncc(c1)[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)[*:1]
O[C@](Cn1ccnc1)(c1ccccc1)c1ccccn1 c1cn(cn1)C[*:1] O[C@](c1ccccc1)(c1ccccn1)[*:1]
O[C@](Cn1ccnc1)(c1ccccc1)c1ccccn1 c1cn(cn1)[*:1] O[C@](C[*:1])(c1ccccc1)c1ccccn1
O[C@](Cn1ccnc1)(c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O[C@](Cn1ccnc1)(c1ccccc1)[*:1]
O[C@](Cn1ccnc1)(c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O[C@](Cn1ccnc1)(c1ccccn1)[*:1]
COc1ccc(Cc2cccc(C3CCN(C(=O)c4scnc4C)CC3)n2)cc1 Cc1ncsc1[*:1] COc1ccc(cc1)Cc1cccc(n1)C1CCN(CC1)C(=O)[*:1]
COc1ccc(Cc2cccc(C3CCN(C(=O)c4scnc4C)CC3)n2)cc1 COc1ccc(cc1)C[*:1] Cc1ncsc1C(=O)N1CCC(CC1)c1cccc(n1)[*:1]
COc1ccc(Cc2cccc(C3CCN(C(=O)c4scnc4C)CC3)n2)cc1 COc1ccc(cc1)[*:1] Cc1ncsc1C(=O)N1CCC(CC1)c1cccc(C[*:1])n1
CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2sc(N(C)C)nc2C)C1 CN(C)[*:1] CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2sc(nc2C)[*:1])C1
CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2sc(N(C)C)nc2C)C1 CCCCNC(=O)[*:1] Cc1nc(sc1CN1C[C@H](CC[C@H]1C)[*:1])N(C)C
CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2sc(N(C)C)nc2C)C1 CCC[*:1] Cc1nc(sc1CN1C[C@H](CC[C@H]1C)C(=O)NC[*:1])N(C)C
CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2sc(N(C)C)nc2C)C1 CCCC[*:1] Cc1nc(sc1CN1C[C@H](CC[C@H]1C)C(=O)N[*:1])N(C)C
O=C(CCCc1cc(F)ccc1F)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 Fc1ccc(F)c(c1)[*:1] O=C(CCC[*:1])N1CCC[C@H](C1)C[NH+]1CCCCCC1
O=C(CCCc1cc(F)ccc1F)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 Fc1ccc(F)c(c1)C[*:1] O=C(CC[*:1])N1CCC[C@H](C1)C[NH+]1CCCCCC1
COc1ccccc1OCc1ccc(C(=O)N(C)C2C3CC4CC(C3)CC2C4)o1 COc1ccccc1[*:1] CN(C(=O)c1ccc(CO[*:1])o1)C1C2CC3CC(C2)CC1C3
COc1ccccc1OCc1ccc(C(=O)N(C)C2C3CC4CC(C3)CC2C4)o1 COc1ccccc1O[*:1] CN(C(=O)c1ccc(C[*:1])o1)C1C2CC3CC(C2)CC1C3
CN(C)C(=O)C[C@H](NC(=O)Nc1ccncc1)c1ccccc1 CN(C)C(=O)[*:1] O=C(Nc1ccncc1)N[C@@H](C[*:1])c1ccccc1
CN(C)C(=O)C[C@H](NC(=O)Nc1ccncc1)c1ccccc1 CN(C)C(=O)C[*:1] O=C(Nc1ccncc1)N[C@H](c1ccccc1)[*:1]
CN(C)C(=O)C[C@H](NC(=O)Nc1ccncc1)c1ccccc1 c1cc(ccn1)[*:1] CN(C)C(=O)C[C@H](NC(=O)N[*:1])c1ccccc1
CN(C)C(=O)C[C@H](NC(=O)Nc1ccncc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)C[C@H](NC(=O)Nc1ccncc1)[*:1]
CC(=O)Nc1ccc([C@@H]2NC3(CCCC3)C(=O)N2CC(C)C)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)[C@@H]1NC2(CCCC2)C(=O)N1C[*:1]
CC(=O)Nc1ccc([C@@H]2NC3(CCCC3)C(=O)N2CC(C)C)cc1 CC(C)C[*:1] CC(=O)Nc1ccc(cc1)[C@@H]1NC2(CCCC2)C(=O)N1[*:1]
CC(=O)Nc1ccc([C@@H]2NC3(CCCC3)C(=O)N2CC(C)C)cc1 CC(=O)N[*:1] CC(C)CN1C(=O)C2(CCCC2)N[C@H]1c1ccc(cc1)[*:1]
C[C@H](CC(=O)NCc1n[nH]c(=S)n1C)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H](CC(=O)NCc1n[nH]c(=S)n1C)NC(=O)[*:1]
C[C@H](CC(=O)NCc1n[nH]c(=S)n1C)NC(=O)C1CCCC1 Cn1c(n[nH]c1=S)[*:1] C[C@H](CC(=O)NC[*:1])NC(=O)C1CCCC1
O=C(N/N=C/c1ccncc1)c1ccc(C[NH+]2CCOCC2)cc1 c1cc(ccn1)[*:1] O=C(NN=C[*:1])c1ccc(cc1)C[NH+]1CCOCC1
O=C(N[C@@H]1CCS(=O)(=O)C1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 OCCC[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(Cl)c(Cl)c1)[*:1]
O=C(N[C@@H]1CCS(=O)(=O)C1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 OCC[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(Cl)c(Cl)c1)C[*:1]
O=C(N[C@@H]1CCS(=O)(=O)C1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N(CCCO)C[*:1]
O=C(Nc1ccccc1)c1nc(-n2cnnc2)ccc1Br c1ccc(cc1)[*:1] O=C(N[*:1])c1nc(ccc1Br)-n1cnnc1
O=C(Nc1ccccc1)c1nc(-n2cnnc2)ccc1Br c1nncn1[*:1] O=C(Nc1ccccc1)c1nc(ccc1Br)[*:1]
CCOC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1 CCOC(=O)N[*:1] Cc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1 Cc1ccc(F)c(c1)[*:1] CCOC(=O)Nc1ccc(cc1)NS(=O)(=O)[*:1]
Cc1nscc1C(=O)N1CCN(C(=O)c2ccco2)CC1 Cc1nscc1[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)[*:1]
Cc1nscc1C(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] Cc1nscc1C(=O)N1CCN(CC1)C(=O)[*:1]
CS[C@@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 FC(F)(F)[*:1] CS[C@@H]1CCC[C@@H]1Nc1cc(nc(n1)-c1ccccn1)[*:1]
CS[C@@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CS[C@@H]1CCC[C@@H]1Nc1cc(nc(n1)[*:1])C(F)(F)F
[NH3+]CCOCc1nc([C@@H]2CCc3ccccc32)no1 [NH3+]CCOC[*:1] c1ccc2c(c1)CC[C@H]2c1noc(n1)[*:1]
CCOC(=O)[C@@H](NC(C)=O)[C@@H](O)c1ccc(C(C)C)cc1 CCOC(=O)[*:1] CC(=O)N[C@@H]([C@@H](O)c1ccc(cc1)C(C)C)[*:1]
CCOC(=O)[C@@H](NC(C)=O)[C@@H](O)c1ccc(C(C)C)cc1 CC(C)[*:1] CCOC(=O)[C@@H](NC(C)=O)[C@@H](O)c1ccc(cc1)[*:1]
CCOC(=O)[C@@H](NC(C)=O)[C@@H](O)c1ccc(C(C)C)cc1 CC(=O)N[*:1] CCOC(=O)[C@@H]([C@@H](O)c1ccc(cc1)C(C)C)[*:1]
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CCc2ccsc2)CC1 c1cc(cs1)CC[*:1] C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC1)C(=O)[*:1]
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CCc2ccsc2)CC1 Fc1cccc(c1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)CCc1ccsc1
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CCc2ccsc2)CC1 c1cc(cs1)[*:1] C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC1)C(=O)CC[*:1]
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CCc2ccsc2)CC1 c1cc(cs1)C[*:1] C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC1)C(=O)C[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] CC(C)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F CC(C)[C@H](CO)[*:1] O=S(=O)(N[*:1])c1ccc(Cl)cc1C(F)(F)F
CC(C)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F CC(C)[*:1] O=S(=O)(N[C@@H](CO)[*:1])c1ccc(Cl)cc1C(F)(F)F
CC(C)c1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1 CC(C)[*:1] O=C([O-])c1nccnc1C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)NC(=O)c1nccnc1[*:1]
Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)on1 Clc1ccc(s1)[*:1] Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)[*:1])on1
Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)on1 Cc1cc(on1)[*:1] O=C(N[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1
O=C(Oc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Oc1ccc(F)cc1)c1cccc(c1)[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1csc(-c2cccs2)n1 CC(C)[*:1] CCN(CC(=O)N[*:1])C(=O)c1csc(n1)-c1cccs1
CCN(CC(=O)NC(C)C)C(=O)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] CCN(CC(=O)NC(C)C)C(=O)c1csc(n1)[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1csc(-c2cccs2)n1 CC(C)NC(=O)[*:1] CCN(C[*:1])C(=O)c1csc(n1)-c1cccs1
CCN(CC(=O)NC(C)C)C(=O)c1csc(-c2cccs2)n1 CC(C)NC(=O)C[*:1] CCN(C(=O)c1csc(n1)-c1cccs1)[*:1]
COc1ccc2c(c1)=[NH+][C@@H](C(=O)N1CCCC[C@@H]1c1cccnc1)C=2 c1cncc(c1)[*:1] COc1ccc2=C[C@@H]([NH+]=c2c1)C(=O)N1CCCC[C@H]1[*:1]
CCS(=O)(=O)c1ccccc1S(=O)(=O)[C@@H](C)CCCl CCS(=O)(=O)[*:1] C[C@@H](CCCl)S(=O)(=O)c1ccccc1[*:1]
CCS(=O)(=O)c1ccccc1S(=O)(=O)[C@@H](C)CCCl ClCC[*:1] CCS(=O)(=O)c1ccccc1S(=O)(=O)[C@@H](C)[*:1]
COc1ccc(/C=N/NC(=O)[C@H]2[NH+]=c3ccc(C)cc3=C2c2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc2=[NH+][C@H](C(=O)NN=C[*:1])C(c3ccccc3)=c2c1
COc1ccc(/C=N/NC(=O)[C@H]2[NH+]=c3ccc(C)cc3=C2c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(/C=N/NC(=O)[C@H]2[NH+]=c3ccc(C)cc3=C2[*:1])cc1OC
COC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl COC(C)(C)[*:1] O=C(NC[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
COC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl COC(C)(C)C[*:1] O=C(N[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
COC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] COC(C)(C)CNC(=O)c1ccc(cc1Cl)[*:1]
COC(=O)CSc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)C3CCC3)C2)n1 Fc1ccc(cc1)[*:1] COC(=O)CSc1ncc(c(n1)[C@H]1CCCN(C1)C(=O)C1CCC1)[*:1]
COC(=O)CSc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)C3CCC3)C2)n1 COC(=O)[*:1] O=C(C1CCC1)N1CCC[C@@H](C1)c1nc(ncc1-c1ccc(F)cc1)SC[*:1]
COC(=O)CSc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)C3CCC3)C2)n1 C1CC(C1)[*:1] COC(=O)CSc1ncc(-c2ccc(F)cc2)c(n1)[C@H]1CCCN(C1)C(=O)[*:1]
COC(=O)CSc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)C3CCC3)C2)n1 COC(=O)C[*:1] O=C(C1CCC1)N1CCC[C@@H](C1)c1nc(ncc1-c1ccc(F)cc1)S[*:1]
COC(=O)CSc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)C3CCC3)C2)n1 COC(=O)CS[*:1] O=C(C1CCC1)N1CCC[C@@H](C1)c1nc(ncc1-c1ccc(F)cc1)[*:1]
Cc1nc2n(n1)[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](C)CC1=O)N2 Clc1ccc(cc1Cl)[*:1] Cc1nc2NC3C[C@@H](C)CC(=O)C=3[C@@H](n2n1)[*:1]
CCN(C(=O)Nc1cc(OC)ccc1F)[C@H](C)CC(=O)[O-] O=C([O-])C[*:1] CCN(C(=O)Nc1cc(ccc1F)OC)[C@H](C)[*:1]
CCN(C(=O)Nc1cc(OC)ccc1F)[C@H](C)CC(=O)[O-] O=C([O-])[*:1] CCN(C(=O)Nc1cc(ccc1F)OC)[C@H](C)C[*:1]
Cc1cc(Cl)ccc1NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 Cc1cc(Cl)ccc1[*:1] C[C@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
CS[C@H]1CC[C@@H](NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C1 CC(C)(C)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)CNC(=O)c1ccc(cc1)[*:1]
O=C(Cc1ccccc1CNC(=O)c1nc[nH]c1-c1cccnc1)Nc1ccccc1 c1cncc(c1)[*:1] O=C(Cc1ccccc1CNC(=O)c1nc[nH]c1[*:1])Nc1ccccc1
O=C(Cc1ccccc1CNC(=O)c1nc[nH]c1-c1cccnc1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(NCc1ccccc1C[*:1])c1nc[nH]c1-c1cccnc1
O=C(Cc1ccccc1CNC(=O)c1nc[nH]c1-c1cccnc1)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=C(NCc1ccccc1[*:1])c1nc[nH]c1-c1cccnc1
O=C(Cc1ccccc1CNC(=O)c1nc[nH]c1-c1cccnc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1CNC(=O)c1nc[nH]c1-c1cccnc1)N[*:1]
Cc1c(C[S@@](C)=O)cccc1NCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1NCc1ccccc1[*:1])C[S@@](C)=O
CCCS(=O)(=O)N[C@@H](CC)c1ccc2c(c1)OCCO2 CCC[*:1] CC[C@H](NS(=O)(=O)[*:1])c1ccc2OCCOc2c1
CC(C)n1nccc1C(=O)Nc1cccc2ncccc12 CC(C)[*:1] O=C(Nc1cccc2ncccc12)c1ccnn1[*:1]
CCC(=O)Nc1ccc(C(=O)COc2cccc(F)c2F)cc1 CCC(=O)N[*:1] O=C(COc1cccc(F)c1F)c1ccc(cc1)[*:1]
[NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(O)c(C(=O)[O-])c2)O1 O=C([O-])[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)Nc1ccc(O)c(c1)[*:1]
CC[C@H](NC(=O)Cc1nc(-c2cccs2)oc1C)c1c(C)nn(C)c1C c1csc(c1)[*:1] CC[C@H](NC(=O)Cc1nc(oc1C)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)Cc1nc(-c2cccs2)oc1C)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)Cc1nc(oc1C)-c1cccs1)[*:1]
O=C(NCc1cc(Cl)cc2c1OCOC2)c1cccnc1 c1cncc(c1)[*:1] O=C(NCc1cc(Cl)cc2COCOc12)[*:1]
COc1cc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)ccc1O COc1cc(ccc1O)[*:1] Cc1cc(C)c(c(O)c1)-c1n[nH]c2C(=O)N(C[C@@H]3CCCO3)[C@@H](c12)[*:1]
COc1cc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)ccc1O C1CO[C@@H](C1)C[*:1] COc1cc(ccc1O)[C@@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1c(C)cc(C)cc1O
COc1cc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)ccc1O C1CO[C@@H](C1)[*:1] COc1cc(ccc1O)[C@@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1c(C)cc(C)cc1O
COc1cc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)ccc1O Cc1cc(C)c(c(O)c1)[*:1] COc1cc(ccc1O)[C@@H]1c2c(n[nH]c2C(=O)N1C[C@@H]1CCCO1)[*:1]
CC(C)[C@@H](C)SCC(=O)NNC(=O)C1CCC1 CC(C)[C@@H](C)[*:1] O=C(CS[*:1])NNC(=O)C1CCC1
CC(C)[C@@H](C)SCC(=O)NNC(=O)C1CCC1 C1CC(C1)[*:1] CC(C)[C@@H](C)SCC(=O)NNC(=O)[*:1]
CC(C)[C@@H](C)SCC(=O)NNC(=O)C1CCC1 CC(C)[*:1] C[C@@H](SCC(=O)NNC(=O)C1CCC1)[*:1]
Cc1noc([C@H](OC(=O)CC(C)C)c2ccccc2)n1 Cc1noc(n1)[*:1] CC(C)CC(=O)O[C@H](c1ccccc1)[*:1]
Cc1noc([C@H](OC(=O)CC(C)C)c2ccccc2)n1 CC(C)C[*:1] Cc1noc(n1)[C@H](OC(=O)[*:1])c1ccccc1
Cc1noc([C@H](OC(=O)CC(C)C)c2ccccc2)n1 CC(C)[*:1] Cc1noc(n1)[C@H](OC(=O)C[*:1])c1ccccc1
Cc1noc([C@H](OC(=O)CC(C)C)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@H](OC(=O)CC(C)C)[*:1]
Cc1ccc(C[S@@](=O)Cc2nc(Cc3ccccc3C)no2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1Cc1noc(C[S@](=O)C[*:1])n1
Cc1ccc(C[S@@](=O)Cc2nc(Cc3ccccc3C)no2)cc1 Cc1ccccc1C[*:1] Cc1ccc(cc1)C[S@@](=O)Cc1nc(no1)[*:1]
Cc1ccc(C[S@@](=O)Cc2nc(Cc3ccccc3C)no2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccccc1Cc1noc(C[S@](=O)[*:1])n1
Cc1ccc(C[S@@](=O)Cc2nc(Cc3ccccc3C)no2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)C[S@@](=O)Cc1nc(C[*:1])no1
Cn1nc(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)ccc1=O Cn1nc(ccc1=O)[*:1] Nc1ncc(-c2ccc(F)cc2)c(n1)[C@H]1CCCCN1C(=O)[*:1]
Cn1nc(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)ccc1=O Fc1ccc(cc1)[*:1] Cn1nc(ccc1=O)C(=O)N1CCCC[C@@H]1c1nc(N)ncc1[*:1]
O=C(Nc1nnc(-c2ccccc2)s1)c1ccc([O-])nn1 c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc([O-])nn1
CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)COC)C2)n1 CCc1nccn1[*:1] COCC(=O)N1CCC[C@H](C1)c1cccc(n1)[*:1]
CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)COC)C2)n1 COC[*:1] CCc1nccn1-c1cccc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)[C@@H](C)NC(=O)c1ccc2c(c1)OCO2 CC(C)[C@@H](C)[*:1] O=C(N[*:1])c1ccc2OCOc2c1
CC(C)[C@@H](C)NC(=O)c1ccc2c(c1)OCO2 CC(C)[*:1] C[C@@H](NC(=O)c1ccc2OCOc2c1)[*:1]
C=CCN1C(=O)c2ccccc2[C@@]1(CC=C)C(=O)OCC C=CC[*:1] C=CCN1C(=O)c2ccccc2[C@]1(C(=O)OCC)[*:1]
C=CCN1C(=O)c2ccccc2[C@@]1(CC=C)C(=O)OCC C=CC[*:1] C=CC[C@@]1(C(=O)OCC)c2ccccc2C(=O)N1[*:1]
C=CCN1C(=O)c2ccccc2[C@@]1(CC=C)C(=O)OCC CCOC(=O)[*:1] C=CCN1C(=O)c2ccccc2[C@]1(CC=C)[*:1]
Cc1cc(/C=C(\C#N)C(=O)OCC#N)c(C)n1CC(C)C CC(C)[*:1] Cc1cc(/C=C(\C#N)C(=O)OCC#N)c(C)n1C[*:1]
Cc1cc(/C=C(\C#N)C(=O)OCC#N)c(C)n1CC(C)C N#CC[*:1] Cc1cc(/C=C(\C#N)C(=O)O[*:1])c(C)n1CC(C)C
Cc1cc(/C=C(\C#N)C(=O)OCC#N)c(C)n1CC(C)C CC(C)C[*:1] Cc1cc(/C=C(\C#N)C(=O)OCC#N)c(C)n1[*:1]
Cc1cc(/C=C(\C#N)C(=O)OCC#N)c(C)n1CC(C)C N#CCOC(=O)[*:1] Cc1cc(C=C(C#N)[*:1])c(C)n1CC(C)C
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 FC(F)(F)c1ccccc1[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)Nc1ccccn1)[*:1]
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 FC(F)(F)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)Nc1ccccn1)c1ccccc1[*:1]
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 c1ccc(nc1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)N[*:1])c1ccccc1C(F)(F)F
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 O=C(Nc1ccccn1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1[*:1])c1ccccc1C(F)(F)F
O=S1(=O)N=C(N/N=C\c2ccc(-c3ccc(Br)cc3)o2)c2ccccc21 Brc1ccc(cc1)[*:1] O=S1(=O)N=C(N/N=C\c2ccc(o2)[*:1])c2ccccc21
Cc1nccn1-c1ccc([C@@H](C)NS(=O)(=O)CCc2ccccc2)cc1 Cc1nccn1[*:1] C[C@@H](NS(=O)(=O)CCc1ccccc1)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@@H](C)NS(=O)(=O)CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)C[*:1]
Cc1nccn1-c1ccc([C@@H](C)NS(=O)(=O)CCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)CC[*:1]
Cc1nccn1-c1ccc([C@@H](C)NS(=O)(=O)CCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)[*:1]
COc1ccccc1CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 COc1ccccc1[*:1] O=C(C[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1
COc1ccccc1CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 COc1ccccc1C[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)[*:1]
COc1ccccc1CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
COc1ccc(OCc2oc3ccc(OC)cc3c2C(N)=O)cc1 COc1ccc(cc1)[*:1] COc1ccc2oc(CO[*:1])c(C(N)=O)c2c1
COc1ccc(OCc2oc3ccc(OC)cc3c2C(N)=O)cc1 NC(=O)[*:1] COc1ccc(cc1)OCc1oc2ccc(cc2c1[*:1])OC
CO[C@@H](C)C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 CO[C@@H](C)[*:1] Cc1cn2C[C@H](CCc2[nH+]1)NC(=O)[*:1]
C[C@H](O)CN(C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O C[C@H](O)C[*:1] CN(C(=O)N[C@@H]1CCCN(C1=O)c1ccn(C)n1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O C[C@H](O)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCCN(C1=O)c1ccn(C)n1
C[C@H](O)CN(C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O Cn1ccc(n1)[*:1] C[C@H](O)CN(C)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
CC(C)(C)Cc1nn([C@H]2CCS(=O)(=O)C2)c(N)c1[N+](=O)[O-] CC(C)(C)C[*:1] Nc1c(c(nn1[C@H]1CCS(=O)(=O)C1)[*:1])[N+](=O)[O-]
CC(C)(C)Cc1nn([C@H]2CCS(=O)(=O)C2)c(N)c1[N+](=O)[O-] O=S1(=O)CC[C@@H](C1)[*:1] CC(C)(C)Cc1nn(c(N)c1[N+](=O)[O-])[*:1]
CC(C)(C)Cc1nn([C@H]2CCS(=O)(=O)C2)c(N)c1[N+](=O)[O-] CC(C)(C)[*:1] Nc1c(c(C[*:1])nn1[C@H]1CCS(=O)(=O)C1)[N+](=O)[O-]
CC(C)(C)Cc1nn([C@H]2CCS(=O)(=O)C2)c(N)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)Cc1nn(c(N)c1[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccccc1NC(=O)Cn1cnc2nc3c(cc2c1=O)CCCC3 COc1ccccc1[*:1] O=C(Cn1cnc2nc3CCCCc3cc2c1=O)N[*:1]
C[C@H](CNC(=O)c1ccccc1F)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccccc1F)O[*:1]
O=c1[nH]c2ccccc2cc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=c1[nH]c2ccccc2cc1C[NH+]1CCC(CC1)O[*:1]
O=c1[nH]c2ccccc2cc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=c1[nH]c2ccccc2cc1C[NH+]1CCC(CC1)[*:1]
O=c1[nH]c2ccccc2cc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=c1[nH]c2ccccc2cc1C[NH+]1CCC(CC1)OC[*:1]
CCC[C@H]1CC[C@@H](C[NH3+])[C@H](n2c(C)nc3ccccc32)C1 CCC[*:1] Cc1nc2ccccc2n1[C@@H]1C[C@H](CC[C@H]1C[NH3+])[*:1]
CN1C(=O)C[C@@H](C(=O)N2CCc3ccc(F)cc32)[C@H]1c1cccnc1 c1cncc(c1)[*:1] CN1C(=O)C[C@@H](C(=O)N2CCc3ccc(F)cc32)[C@@H]1[*:1]
CC(C)Oc1nc(Oc2ccc(Br)cc2Cl)ccc1N CC(C)O[*:1] Nc1ccc(nc1[*:1])Oc1ccc(Br)cc1Cl
CC(C)Oc1nc(Oc2ccc(Br)cc2Cl)ccc1N CC(C)[*:1] Nc1ccc(nc1O[*:1])Oc1ccc(Br)cc1Cl
C[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C CN(C)[*:1] C[C@@H]1C[C@H]1C(=O)Nc1cc(ccc1[*:1])S(=O)(=O)N(C)C
C[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C CN(C)S(=O)(=O)[*:1] C[C@@H]1C[C@H]1C(=O)Nc1cc(ccc1N(C)C)[*:1]
C[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C C[C@@H]1C[C@H]1C(=O)N[*:1] CN(C)c1ccc(cc1[*:1])S(=O)(=O)N(C)C
C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O Clc1ccc(c(Cl)c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O)[*:1]
CCOC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2C)c1 CCOC(=O)N[*:1] Cc1cc(F)ccc1NC(=O)c1cccc(c1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)CCOCc2ccccc2)cc1 c1ccc(cc1)C[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CCO[*:1]
NS(=O)(=O)c1ccc(NC(=O)CCOCc2ccccc2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CCOC[*:1]
NS(=O)(=O)c1ccc(NC(=O)CCOCc2ccccc2)cc1 NS(=O)(=O)[*:1] O=C(CCOCc1ccccc1)Nc1ccc(cc1)[*:1]
C[C@H]1CC(=O)c2cc(C(=O)Nc3cccc(N4CCCC4)c3)c(=O)[nH]c2C1 C1CCN(C1)[*:1] C[C@H]1CC(=O)c2cc(C(=O)Nc3cccc(c3)[*:1])c(=O)[nH]c2C1
O=S(=O)(Cc1cc(-c2ccccc2Cl)no1)c1ccccc1 Clc1ccccc1[*:1] O=S(=O)(Cc1cc(no1)[*:1])c1ccccc1
O=S(=O)(Cc1cc(-c2ccccc2Cl)no1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Cc1cc(no1)-c1ccccc1Cl)[*:1]
CN(Cc1nc2c(s1)CCCC2)C(=O)CCOC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CN(Cc1nc2CCCCc2s1)C(=O)CCO[*:1]
CN(Cc1nc2c(s1)CCCC2)C(=O)CCOC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CN(Cc1nc2CCCCc2s1)C(=O)CCOC[*:1]
CN(Cc1nc2c(s1)CCCC2)C(=O)CCOC[C@H]1CCCO1 C1CO[C@H](C1)CO[*:1] CN(Cc1nc2CCCCc2s1)C(=O)CC[*:1]
Cc1ccccc1C1(CCc2scnc2C)C[NH2+]C1 Cc1ncsc1[*:1] Cc1ccccc1C1(CC[*:1])C[NH2+]C1
Cc1ccccc1N1CCN(c2ncccc2CNCc2[nH]cc[nH+]2)CC1 Cc1ccccc1[*:1] c1cnc(c(c1)CNCc1[nH]cc[nH+]1)N1CCN(CC1)[*:1]
CCc1ccc([C@@H]([NH3+])[C@H](C)SC2COC2)cc1 C1OCC1S[*:1] CCc1ccc(cc1)[C@@H]([NH3+])[C@H](C)[*:1]
CCc1ccc([C@@H]([NH3+])[C@H](C)SC2COC2)cc1 C1OCC1[*:1] CCc1ccc(cc1)[C@@H]([NH3+])[C@H](C)S[*:1]
CCOc1cccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)c1 O=[N+]([O-])[*:1] CCOc1cccc(/C=C/c2ccc3cccc(c3n2)[*:1])c1
CCOc1cccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)c1 CCO[*:1] O=[N+]([O-])c1cccc2ccc(/C=C/c3cccc(c3)[*:1])nc12
CC[C@H](C(=O)N1CCC(c2nnc3n2CCCCC3)CC1)c1ccccc1 CC[C@H](c1ccccc1)[*:1] O=C(N1CCC(CC1)c1nnc2CCCCCn21)[*:1]
CC[C@H](C(=O)N1CCC(c2nnc3n2CCCCC3)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCC(CC1)c1nnc2CCCCCn21)[*:1]
COc1ccccc1[C@@H](C)NC(=O)COc1ccccc1F Fc1ccccc1[*:1] COc1ccccc1[C@@H](C)NC(=O)CO[*:1]
O=S(=O)(NCCC1CC1)c1ccc(CO)cc1F C1CC1[*:1] O=S(=O)(NCC[*:1])c1ccc(cc1F)CO
O=S(=O)(NCCC1CC1)c1ccc(CO)cc1F C1CC1C[*:1] O=S(=O)(NC[*:1])c1ccc(cc1F)CO
O=S(=O)(NCCC1CC1)c1ccc(CO)cc1F C1CC1CC[*:1] O=S(=O)(N[*:1])c1ccc(cc1F)CO
CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCC[C@@H]1C(=O)OC c1ccc(cc1)[*:1] CCOc1cn(nc1C(=O)N[C@@H]1CCCC[C@@H]1C(=O)OC)[*:1]
CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCC[C@@H]1C(=O)OC CCO[*:1] COC(=O)[C@H]1CCCC[C@H]1NC(=O)c1nn(cc1[*:1])-c1ccccc1
CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCC[C@@H]1C(=O)OC COC(=O)[*:1] CCOc1cn(nc1C(=O)N[C@@H]1CCCC[C@H]1[*:1])-c1ccccc1
CO[C@H](C(=O)N1CCc2cc(C)ccc21)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)N1CCc2cc(C)ccc21)[*:1]
COc1ccc(NS(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1noc(/C=C/c2ccc(cc2)S(=O)(=O)N[*:1])c1[N+](=O)[O-]
COc1ccc(NS(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)cc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1Cl)NS(=O)(=O)c1ccc(/C=C/c2onc(C)c2[*:1])cc1
CCN(Cc1cccc(C)c1)C(=O)NCc1ccc([S@](C)=O)cc1 Cc1cccc(c1)C[*:1] CCN(C(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
CCN(Cc1cccc(C)c1)C(=O)NCc1ccc([S@](C)=O)cc1 Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)NCc1ccc(cc1)[S@](C)=O
Cc1c(C)c(C)c(S(=O)(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)c(C)c1C NC(=O)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc(cc1)[*:1])C1CC1
Cc1c(C)c(C)c(S(=O)(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)c(C)c1C C1CC1[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc(cc1)C(N)=O)[*:1]
Cc1c(C)c(C)c(S(=O)(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)c(C)c1C NC(=O)c1ccc(cc1)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N(C[*:1])C1CC1
C[C@@H](Sc1ncnc2ccccc12)C(=O)NCCc1cccs1 c1csc(c1)C[*:1] C[C@@H](Sc1ncnc2ccccc12)C(=O)NC[*:1]
C[C@@H](Sc1ncnc2ccccc12)C(=O)NCCc1cccs1 c1csc(c1)CC[*:1] C[C@@H](Sc1ncnc2ccccc12)C(=O)N[*:1]
C[C@@H](Sc1ncnc2ccccc12)C(=O)NCCc1cccs1 c1csc(c1)[*:1] C[C@@H](Sc1ncnc2ccccc12)C(=O)NCC[*:1]
CO[C@H]1CCC[C@@H](OC(=O)[C@H](C)Sc2ccccc2)C1 c1ccc(cc1)[*:1] CO[C@H]1CCC[C@H](C1)OC(=O)[C@H](C)S[*:1]
CCCN(CCC[NH3+])C(=O)N(CC)CC [NH3+]CC[*:1] CCCN(C[*:1])C(=O)N(CC)CC
CCCN(CCC[NH3+])C(=O)N(CC)CC CCC[*:1] CCN(CC)C(=O)N(CCC[NH3+])[*:1]
CCCN(CCC[NH3+])C(=O)N(CC)CC [NH3+]CCC[*:1] CCCN(C(=O)N(CC)CC)[*:1]
CCOc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 CCO[*:1] O=C(N[C@H]1CC[NH2+]C1)c1ccc(cc1)[*:1]
CCC[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 FC(F)(F)[*:1] CCC[NH2+][C@@H]1CCN(C1)c1cccc(c1)O[*:1]
CCC[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 CCC[*:1] FC(F)(F)Oc1cccc(c1)N1CC[C@H](C1)[NH2+][*:1]
CCC[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 FC(F)(F)O[*:1] CCC[NH2+][C@@H]1CCN(C1)c1cccc(c1)[*:1]
Cc1ccc(-n2c(=O)cc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1cc([nH]c(=O)n1[*:1])N1CCC(CC1)Cc1ccccc1
Cc1ccc(-n2c(=O)cc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(=O)cc([nH]c1=O)N1CCC(CC1)C[*:1]
Cc1ccc(-n2c(=O)cc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1c(=O)cc([nH]c1=O)N1CCC(CC1)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc(C)o2)C1 Cc1ccc(o1)[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)NNC(=O)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc(C)o2)C1 CCS[*:1] Cc1ccc(o1)C(=O)NNC(=O)N[C@@H]1CC[C@@H](C1)[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1 COc1ccc(OC)c(c1)[*:1] O=C1CCCN1c1cc(ccc1Cl)C(=O)N1CCC[C@H]1[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1 O=C1CCCN1[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(c1)[*:1]
CC(=O)N1CCc2cc(N[C@@H](C)C(=O)NCCc3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)N[C@@H](C)C(=O)NCC[*:1]
CC(=O)N1CCc2cc(N[C@@H](C)C(=O)NCCc3ccc(F)cc3)ccc21 Fc1ccc(cc1)C[*:1] CC(=O)N1CCc2cc(ccc21)N[C@@H](C)C(=O)NC[*:1]
CC(=O)N1CCc2cc(N[C@@H](C)C(=O)NCCc3ccc(F)cc3)ccc21 Fc1ccc(cc1)CC[*:1] CC(=O)N1CCc2cc(ccc21)N[C@@H](C)C(=O)N[*:1]
C=C(Nc1ccc(C(C)C)cc1)[C@H]1C(=O)NC(=O)N(CCCC)C1=O CC(C)[*:1] C=C(Nc1ccc(cc1)[*:1])[C@H]1C(=O)NC(=O)N(CCCC)C1=O
C=C(Nc1ccc(C(C)C)cc1)[C@H]1C(=O)NC(=O)N(CCCC)C1=O CCC[*:1] C=C(Nc1ccc(cc1)C(C)C)[C@H]1C(=O)NC(=O)N(C[*:1])C1=O
C=C(Nc1ccc(C(C)C)cc1)[C@H]1C(=O)NC(=O)N(CCCC)C1=O CCCC[*:1] C=C(Nc1ccc(cc1)C(C)C)[C@H]1C(=O)NC(=O)N(C1=O)[*:1]
COc1ccc(-c2n[nH]c(=S)n2CC(=O)NC2CCCCCCC2)cc1 C1CCCC(CCC1)[*:1] COc1ccc(cc1)-c1n[nH]c(=S)n1CC(=O)N[*:1]
COc1ccc(-c2n[nH]c(=S)n2CC(=O)NC2CCCCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1c(n[nH]c1=S)[*:1])NC1CCCCCCC1
CCCN/C(N[C@@H]1CC[C@@H](SC)C1)=[NH+]\C CCC[*:1] C/[NH+]=C(/N[C@@H]1CC[C@H](C1)SC)N[*:1]
CNC(=O)COc1ccccc1CN(C)Cc1cc(Br)cs1 Brc1csc(c1)C[*:1] CNC(=O)COc1ccccc1CN(C)[*:1]
CNC(=O)COc1ccccc1CN(C)Cc1cc(Br)cs1 CNC(=O)C[*:1] CN(Cc1cc(Br)cs1)Cc1ccccc1O[*:1]
CNC(=O)COc1ccccc1CN(C)Cc1cc(Br)cs1 CNC(=O)CO[*:1] CN(Cc1cc(Br)cs1)Cc1ccccc1[*:1]
CNC(=O)COc1ccccc1CN(C)Cc1cc(Br)cs1 CNC(=O)[*:1] CN(Cc1cc(Br)cs1)Cc1ccccc1OC[*:1]
CNC(=O)COc1ccccc1CN(C)Cc1cc(Br)cs1 Brc1csc(c1)[*:1] CNC(=O)COc1ccccc1CN(C)C[*:1]
CN(CCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 CC(C)(C)[*:1] CN(CCNC(=O)[C@@H]1CCN(C1)C(=O)O[*:1])c1ccccc1
CN(CCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCNC(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
CN(CCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 CN(c1ccccc1)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)C(=O)NCC[*:1]
Cc1sc(C(=O)N(C)[C@@H](C)CC#N)cc1-c1ccc(F)cc1 N#CC[*:1] Cc1sc(cc1-c1ccc(F)cc1)C(=O)N(C)[C@@H](C)[*:1]
Cc1sc(C(=O)N(C)[C@@H](C)CC#N)cc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(cc1[*:1])C(=O)N(C)[C@@H](C)CC#N
CC[C@@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 CS(=O)(=O)N1CCC(CC1)[*:1] CC[C@@H](NC(=O)c1ccccc1O[*:1])c1ccc(F)cc1
CC[C@@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 CC[C@@H](c1ccc(F)cc1)[*:1] CS(=O)(=O)N1CCC(CC1)Oc1ccccc1C(=O)N[*:1]
CC[C@@H](NC(=O)c1ccccc1OC1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ccccc1OC1CCN(CC1)S(C)(=O)=O)[*:1]
COc1ncccc1CNC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 COc1ncccc1[*:1] O=C(NC[C@@H]1C[C@]12CCc1ccccc12)NC[*:1]
COc1ccccc1CC(=O)N1CCC[C@H]1c1nc(C)c(Cc2ccccc2)c(=O)[nH]1 COc1ccccc1[*:1] Cc1nc([nH]c(=O)c1Cc1ccccc1)[C@@H]1CCCN1C(=O)C[*:1]
COc1ccccc1CC(=O)N1CCC[C@H]1c1nc(C)c(Cc2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] COc1ccccc1CC(=O)N1CCC[C@H]1c1nc(C)c(C[*:1])c(=O)[nH]1
COc1ccccc1CC(=O)N1CCC[C@H]1c1nc(C)c(Cc2ccccc2)c(=O)[nH]1 COc1ccccc1C[*:1] Cc1nc([nH]c(=O)c1Cc1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
COc1ccccc1CC(=O)N1CCC[C@H]1c1nc(C)c(Cc2ccccc2)c(=O)[nH]1 c1ccc(cc1)C[*:1] COc1ccccc1CC(=O)N1CCC[C@H]1c1nc(C)c(c(=O)[nH]1)[*:1]
CCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 CCC[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@@H]1CCCCN1C(=O)[*:1]
CCOC(=O)c1ccc(/C=C/C(=O)c2ccc(Br)s2)o1 Brc1ccc(s1)[*:1] CCOC(=O)c1ccc(/C=C/C(=O)[*:1])o1
CCOC(=O)c1ccc(/C=C/C(=O)c2ccc(Br)s2)o1 CCOC(=O)[*:1] O=C(/C=C/c1ccc(o1)[*:1])c1ccc(Br)s1
Cc1cccc(C(C)C)c1NC(=O)Cn1c(=O)c(N(C)C)c(N)n(C)c1=O CC(C)[*:1] Cc1cccc(c1NC(=O)Cn1c(=O)c(c(N)n(C)c1=O)N(C)C)[*:1]
Cc1cccc(C(C)C)c1NC(=O)Cn1c(=O)c(N(C)C)c(N)n(C)c1=O CN(C)[*:1] Cc1cccc(c1NC(=O)Cn1c(=O)c(c(N)n(C)c1=O)[*:1])C(C)C
C=C(C)CN1C(=O)[C@@]2(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c2ccccc21 c1ccc(cc1)[*:1] C=C(C)CN1C(=O)[C@@]2(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(C(=O)[C@@H]32)[*:1])c2ccccc21
C=C(C)CN1C(=O)[C@@]2(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c2ccccc21 c1ccc(cc1)[*:1] C=C(C)CN1C(=O)[C@@]2(N[C@H](C[*:1])[C@H]3C(=O)N(C(=O)[C@@H]32)c2ccccc2)c2ccccc21
C=C(C)CN1C(=O)[C@@]2(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c2ccccc21 C=C(C)C[*:1] O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@@]1(N[C@@H]2Cc2ccccc2)C(=O)N(c2ccccc21)[*:1]
C=C(C)CN1C(=O)[C@@]2(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c2ccccc21 c1ccc(cc1)C[*:1] C=C(C)CN1C(=O)[C@@]2(N[C@H]([C@H]3C(=O)N(C(=O)[C@@H]32)c2ccccc2)[*:1])c2ccccc21
C=C(C)CN1C(=O)[C@@]2(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c2ccccc21 C=C(C)[*:1] O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@@]1(N[C@@H]2Cc2ccccc2)C(=O)N(C[*:1])c2ccccc21
N#Cc1ccc2nc(N3CCO[C@@H](c4ccccc4)C3)ccc2c1 c1ccc(cc1)[*:1] N#Cc1ccc2nc(ccc2c1)N1CCO[C@@H](C1)[*:1]
C=CCNC(=O)CSc1ncnc2sc3c(c12)CCCC3 C=CCNC(=O)C[*:1] c1nc(S[*:1])c2c3CCCCc3sc2n1
C=CCNC(=O)CSc1ncnc2sc3c(c12)CCCC3 C=CC[*:1] O=C(CSc1ncnc2sc3CCCCc3c12)N[*:1]
C=CCNC(=O)CSc1ncnc2sc3c(c12)CCCC3 C=CCNC(=O)[*:1] c1nc(SC[*:1])c2c3CCCCc3sc2n1
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 CC(C)(C)[*:1] Cc1ccc(cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1)[*:1]
COc1cccc(-c2noc([C@H](C)NC(=O)N3CCC[C@H](O)C3)n2)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)N1CCC[C@H](O)C1)c1nc(no1)[*:1]
Cc1csc(Cn2cc(C[NH2+]C(C)(C)C)nn2)n1 CC(C)(C)[*:1] Cc1csc(Cn2cc(C[NH2+][*:1])nn2)n1
Cc1csc(Cn2cc(C[NH2+]C(C)(C)C)nn2)n1 Cc1csc(n1)[*:1] CC(C)(C)[NH2+]Cc1cn(C[*:1])nn1
COC[C@@H](C)OC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 COC[C@@H](C)[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)O[*:1]
COC[C@@H](C)OC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 COC[C@@H](C)OC(=O)[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)[*:1]
COC[C@@H](C)OC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 COC[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)O[C@H](C)[*:1]
CSC[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)C1 Cc1ccc(cc1)[*:1] CSC[C@H]1CCN(C1)C(=O)N[C@@H]1CCN(C1=O)[*:1]
CSC[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)C1 CSC[*:1] Cc1ccc(cc1)N1CC[C@@H](NC(=O)N2CC[C@@H](C2)[*:1])C1=O
C[C@H](SCc1csc(-c2ccco2)n1)C(=O)NCc1ccccc1Cl c1coc(c1)[*:1] C[C@H](SCc1csc(n1)[*:1])C(=O)NCc1ccccc1Cl
C[C@H](SCc1csc(-c2ccco2)n1)C(=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] C[C@H](SCc1csc(n1)-c1ccco1)C(=O)N[*:1]
C[C@H](SCc1csc(-c2ccco2)n1)C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] C[C@H](SCc1csc(n1)-c1ccco1)C(=O)NC[*:1]
CCNC(=O)C1(NC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)CCCCC1 CCNC(=O)[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)NC1(CCCCC1)[*:1]
CC(=O)N1CCc2cc(C(=O)N(C)c3ccc(S(C)(=O)=O)cc3)ccc21 CS(=O)(=O)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N(C)c1ccc(cc1)[*:1]
CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3)c2)n(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] CCOC(=O)c1cc(-c2cccc(c2)NC(=O)c2ccccc2)n(n1)[*:1]
CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3)c2)n(-c2cccc(F)c2)n1 O=C(N[*:1])c1ccccc1 CCOC(=O)c1cc(-c2cccc(c2)[*:1])n(n1)-c1cccc(F)c1
CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3)c2)n(-c2cccc(F)c2)n1 CCOC(=O)[*:1] O=C(Nc1cccc(c1)-c1cc(nn1-c1cccc(F)c1)[*:1])c1ccccc1
CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3)c2)n(-c2cccc(F)c2)n1 c1ccc(cc1)[*:1] CCOC(=O)c1cc(-c2cccc(c2)NC(=O)[*:1])n(n1)-c1cccc(F)c1
NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O NC(=O)CO[*:1] O=C1/C(=C/c2ccc(cc2)-c2ccccc2)Oc2cc(ccc21)[*:1]
NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O NC(=O)[*:1] O=C1/C(=C/c2ccc(cc2)-c2ccccc2)Oc2cc(ccc21)OC[*:1]
NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O NC(=O)C[*:1] O=C1/C(=C/c2ccc(cc2)-c2ccccc2)Oc2cc(ccc21)O[*:1]
NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O c1ccc(cc1)[*:1] NC(=O)COc1ccc2C(=O)/C(=C/c3ccc(cc3)[*:1])Oc2c1
CC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC5(CC(=O)[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)OCCO5 CC(=O)[*:1] C[C@]12C[C@H](O)[C@@H]3[C@H](CC[C@H]4CC5(CC(=O)[C@@]43C)OCCO5)[C@H]1CC[C@@H]2[*:1]
CCC[C@@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 CCC[*:1] [NH3+][C@@H]([C@@H]1CCOC2(CCSCC2)C1)[*:1]
CCC[C@@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 CCC[C@@H]([NH3+])[*:1] C1C[C@H](CC2(CCSCC2)O1)[*:1]
CCOc1ccc2[nH]c([C@H]3C[C@H](OC)C[NH2+]3)nc2n1 CCO[*:1] CO[C@@H]1C[NH2+][C@H](C1)c1nc2nc(ccc2[nH]1)[*:1]
Cc1cccc(NC(=O)Cc2csc(N3CCCC3=O)n2)c1 Cc1cccc(c1)[*:1] O=C(Cc1csc(n1)N1CCCC1=O)N[*:1]
Cc1cccc(NC(=O)Cc2csc(N3CCCC3=O)n2)c1 O=C1CCCN1[*:1] Cc1cccc(c1)NC(=O)Cc1csc(n1)[*:1]
Cc1ccc(C)c2sc(N(Cc3ccco3)C(=O)c3ccc4c(c3)OCO4)nc12 c1coc(c1)[*:1] Cc1ccc(C)c2sc(nc12)N(C[*:1])C(=O)c1ccc2OCOc2c1
Cc1ccc(C)c2sc(N(Cc3ccco3)C(=O)c3ccc4c(c3)OCO4)nc12 c1cc2OCOc2cc1[*:1] Cc1ccc(C)c2sc(nc12)N(Cc1ccco1)C(=O)[*:1]
Cc1ccc(C)c2sc(N(Cc3ccco3)C(=O)c3ccc4c(c3)OCO4)nc12 c1coc(c1)C[*:1] Cc1ccc(C)c2sc(nc12)N(C(=O)c1ccc2OCOc2c1)[*:1]
CCC[C@H](C)c1nc2nc(N(C)C)ccc2[nH]1 CCC[*:1] C[C@H](c1nc2nc(ccc2[nH]1)N(C)C)[*:1]
CCC[C@H](C)c1nc2nc(N(C)C)ccc2[nH]1 CN(C)[*:1] CCC[C@H](C)c1nc2nc(ccc2[nH]1)[*:1]
CCC[C@H](C)c1nc2nc(N(C)C)ccc2[nH]1 CCC[C@H](C)[*:1] CN(C)c1ccc2[nH]c(nc2n1)[*:1]
C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1OCCO OCCO[*:1] C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1[*:1]
C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1OCCO OCC[*:1] C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1O[*:1]
CCOC(=O)c1c(C)csc1NC(=O)C(=O)N[C@@H](C)CC CC[C@H](C)[*:1] CCOC(=O)c1c(C)csc1NC(=O)C(=O)N[*:1]
CCOC(=O)c1c(C)csc1NC(=O)C(=O)N[C@@H](C)CC CCOC(=O)[*:1] CC[C@H](C)NC(=O)C(=O)Nc1scc(C)c1[*:1]
COc1ccc(OCC[NH+]2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1 COc1ccc(cc1)O[*:1] C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CC1)CC[*:1]
COc1ccc(OCC[NH+]2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1 COc1ccc(cc1)[*:1] C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CCO[*:1])CC1
COc1ccc(OCC[NH+]2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1 c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1)OCC[NH+]1CCN(CC1)[C@@H](C)[*:1]
CC[C@H](C)NC(=O)C[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 CC[C@H](C)[*:1] O=C(C[NH+]1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F)N[*:1]
CC[C@H](C)NC(=O)C[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 FC(F)(F)[*:1] CC[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(Oc2ncccn2)c1 c1cnc(nc1)O[*:1] CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(c1)[*:1]
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(Oc2ncccn2)c1 c1cnc(nc1)[*:1] CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(c1)O[*:1]
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(Oc2ncccn2)c1 CCNC(=O)[*:1] [NH3+][C@@H]1C[C@H](N(C1)C(=O)c1cccc(c1)Oc1ncccn1)[*:1]
CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccc(Br)cc1F Clc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)CNc1ccc(Br)cc1F
CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] CN(CC(=O)Nc1ccccc1Cl)C(=O)CN[*:1]
C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 c1coc(c1)[*:1] C[C@H](NC(=O)NC[C@@H]([NH+](C)C)[*:1])c1ccc(cc1)C(F)(F)F
C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)NNC(=O)[*:1])c1cc2cc(Cl)ccc2o1
CC(=O)NCc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)s1 Clc1ccc(cc1)[*:1] CC(=O)NCc1ccc(s1)-c1csc(n1)N[*:1]
CC(=O)NCc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)s1 CC(=O)N[*:1] Clc1ccc(cc1)Nc1nc(cs1)-c1ccc(C[*:1])s1
CC(=O)NCc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)s1 CC(=O)NC[*:1] Clc1ccc(cc1)Nc1nc(cs1)-c1ccc(s1)[*:1]
CC[NH+]1CCN([C@H](c2ccccc2)c2sc3nc(C)nn3c2O)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)[C@H](c1sc2nc(C)nn2c1O)[*:1]
CCc1ccc(C(=O)NCCc2ncnn2C)o1 Cn1ncnc1[*:1] CCc1ccc(o1)C(=O)NCC[*:1]
COCCCN1C(=O)c2[nH]nc(-c3cccs3)c2[C@@H]1c1ccc(O)c(OC)c1 COCC[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1cccs1
COCCCN1C(=O)c2[nH]nc(-c3cccs3)c2[C@@H]1c1ccc(O)c(OC)c1 COCCC[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1cccs1
COCCCN1C(=O)c2[nH]nc(-c3cccs3)c2[C@@H]1c1ccc(O)c(OC)c1 COc1cc(ccc1O)[*:1] COCCCN1C(=O)c2[nH]nc(-c3cccs3)c2[C@H]1[*:1]
COCCCN1C(=O)c2[nH]nc(-c3cccs3)c2[C@@H]1c1ccc(O)c(OC)c1 COC[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1CC[*:1])-c1cccs1
COCCCN1C(=O)c2[nH]nc(-c3cccs3)c2[C@@H]1c1ccc(O)c(OC)c1 c1csc(c1)[*:1] COCCCN1C(=O)c2[nH]nc(c2[C@@H]1c1ccc(O)c(c1)OC)[*:1]
CCc1nn2c(c1-c1ccc(F)cc1)NC(=O)[C@@H]2CC(=O)Nc1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2cc(ccc2C)[*:1])c1-c1ccc(F)cc1
CCc1nn2c(c1-c1ccc(F)cc1)NC(=O)[C@@H]2CC(=O)Nc1cc([N+](=O)[O-])ccc1C Fc1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2cc(ccc2C)[N+](=O)[O-])c1[*:1]
CCc1nn2c(c1-c1ccc(F)cc1)NC(=O)[C@@H]2CC(=O)Nc1cc([N+](=O)[O-])ccc1C Cc1ccc(cc1[*:1])[N+](=O)[O-] CCc1nn2c(NC(=O)[C@@H]2CC(=O)N[*:1])c1-c1ccc(F)cc1
C[C@H]1CCCC[C@@H]1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C1CCC(=O)N(N=1)[*:1]
C[NH+](C)[C@@H](CNC(=O)[C@H]1COc2ccc(F)cc2C1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1COc2ccc(F)cc2C1)[*:1]
C[NH+](C)[C@@H](CNC(=O)[C@H]1COc2ccc(F)cc2C1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1COc2ccc(F)cc2C1)C[*:1]
C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@@H]1CCCN1C(=O)N[*:1]
CC(=O)CSc1ccc(Cl)cc1 CC(=O)[*:1] Clc1ccc(cc1)SC[*:1]
CC(=O)CSc1ccc(Cl)cc1 CC(=O)C[*:1] Clc1ccc(cc1)S[*:1]
CC[NH2+][C@@H](C1CCC1)[C@@H](C)c1ccncc1 C1CC(C1)[*:1] CC[NH2+][C@@H]([C@@H](C)c1ccncc1)[*:1]
Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c(C)c1 C1CCC(CC1)[*:1] Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])c(C)c1
CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O CC(C)[*:1] C[C@@](C#N)(NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O c1ccc(cc1)[*:1] CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc2c(cnn2[*:1])c1=O
Cc1ncc(C[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ncc(C[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)n1[*:1]
CN(Cc1cc(Cl)cn1C)C(=O)NC[C@H]1COc2ccccc2C1 Cn1cc(Cl)cc1[*:1] CN(C[*:1])C(=O)NC[C@H]1COc2ccccc2C1
CN(Cc1cc(Cl)cn1C)C(=O)NC[C@H]1COc2ccccc2C1 Cn1cc(Cl)cc1C[*:1] CN(C(=O)NC[C@H]1COc2ccccc2C1)[*:1]
CCc1ccc([C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
O=C(N[C@@H](CO)c1ccco1)[C@@H]1C[C@@H]1c1ccc(F)cc1 c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])[C@@H]1C[C@@H]1c1ccc(F)cc1
O=C(N[C@@H](CO)c1ccco1)[C@@H]1C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](CO)c1ccco1)[C@@H]1C[C@H]1[*:1]
CC(C)Oc1ccc(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)cc1 CC(C)[*:1] Fc1ccc(cc1)-n1cc(cn1)C[NH2+]Cc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)cc1 Fc1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)C[NH2+]Cc1cnn(c1)[*:1]
CC(C)Oc1ccc(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)cc1 CC(C)O[*:1] Fc1ccc(cc1)-n1cc(cn1)C[NH2+]Cc1ccc(cc1)[*:1]
Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n[nH]1 FC(F)(F)[*:1] Cc1ccccc1-c1cc(n[nH]1)[N-]S(=O)(=O)c1ccccc1[*:1]
Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n[nH]1 Cc1ccccc1[*:1] O=S(=O)([N-]c1cc([nH]n1)[*:1])c1ccccc1C(F)(F)F
O=S(=O)(N1CCOCC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=S(=O)(N1CCOCC1)N1CCO[C@H](C1)[*:1]
Cc1sc(NC(=O)CCc2ccccc2)c(C#N)c1C c1ccc(cc1)[*:1] Cc1sc(NC(=O)CC[*:1])c(C#N)c1C
CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)COc2ccccc2)cc1 c1ccc(cc1)OC[*:1] CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(cc1)NC(=O)[*:1]
CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)COc2ccccc2)cc1 c1ccc(cc1)O[*:1] CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(cc1)NC(=O)C[*:1]
CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)COc2ccccc2)cc1 c1ccc(cc1)[*:1] CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(cc1)NC(=O)CO[*:1]
C[C@]1(c2ccccc2OCc2ccccc2)Nc2ccccc2C(=O)N1C[C@H]1CCCO1 c1ccc(cc1)CO[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccccc1[*:1]
C[C@]1(c2ccccc2OCc2ccccc2)Nc2ccccc2C(=O)N1C[C@H]1CCCO1 c1ccc(cc1)[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccccc1OC[*:1]
C[C@]1(c2ccccc2OCc2ccccc2)Nc2ccccc2C(=O)N1C[C@H]1CCCO1 c1ccc(cc1)C[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccccc1O[*:1]
COCCNC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccccc1)CC2=O COC[*:1] O=C1C[C@H](Cc2[nH]c(=O)c(cc21)C(=O)NC[*:1])c1ccccc1
COCCNC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccccc1)CC2=O c1ccc(cc1)[*:1] COCCNC(=O)c1cc2C(=O)C[C@@H](Cc2[nH]c1=O)[*:1]
COCCNC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccccc1)CC2=O COCC[*:1] O=C1C[C@H](Cc2[nH]c(=O)c(cc21)C(=O)N[*:1])c1ccccc1
COCCNC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccccc1)CC2=O COCCNC(=O)[*:1] O=C1C[C@H](Cc2[nH]c(=O)c(cc21)[*:1])c1ccccc1
CC[NH+]1CCCN(C(=O)CSCC(=O)Nc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CC[NH+]1CCCN(CC1)C(=O)CSCC(=O)N[*:1]
COc1cccc(/C(C)=C/C(=O)NCCNC(=O)c2ccc(C)cc2)c1 COc1cccc(c1)[*:1] CC(=CC(=O)NCCNC(=O)c1ccc(C)cc1)[*:1]
COc1cccc(/C(C)=C/C(=O)NCCNC(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)/C(C)=C/C(=O)NCCNC(=O)[*:1]
O=[N+]([O-])c1cc(CN(CCO)CC(F)(F)F)cs1 OCC[*:1] O=[N+]([O-])c1cc(cs1)CN(CC(F)(F)F)[*:1]
O=[N+]([O-])c1cc(CN(CCO)CC(F)(F)F)cs1 FC(F)(F)C[*:1] O=[N+]([O-])c1cc(cs1)CN(CCO)[*:1]
O=[N+]([O-])c1cc(CN(CCO)CC(F)(F)F)cs1 O=[N+]([O-])[*:1] OCCN(Cc1csc(c1)[*:1])CC(F)(F)F
O=[N+]([O-])c1cc(CN(CCO)CC(F)(F)F)cs1 FC(F)(F)[*:1] O=[N+]([O-])c1cc(cs1)CN(CCO)C[*:1]
CC(C)OCc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)CO[*:1])N1CCN(CC1)c1ncccn1
CC(C)OCc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1 CC(C)OC[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCN(CC1)c1ncccn1
CC(C)OCc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1 CC(C)O[*:1] O=C(NCc1ccc(cc1)C[*:1])N1CCN(CC1)c1ncccn1
CC(C)OCc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1 c1cnc(nc1)[*:1] CC(C)OCc1ccc(cc1)CNC(=O)N1CCN(CC1)[*:1]
Cc1csc(CCn2c(N)nc3cc(Br)cnc32)n1 Cc1csc(n1)[*:1] Nc1nc2cc(Br)cnc2n1CC[*:1]
CCN1C(=O)C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)SC1=Nc1ccccc1 O=C([O-])[*:1] CCN1C(=O)C[C@H](SC1=Nc1ccccc1)C(=O)Nc1cccc(c1)[*:1]
CCN1C(=O)C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)SC1=Nc1ccccc1 c1ccc(cc1)[*:1] CCN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1cccc(c1)C(=O)[O-]
CCN1C(=O)C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)SC1=Nc1ccccc1 O=C([O-])c1cccc(c1)[*:1] CCN1C(=O)C[C@H](SC1=Nc1ccccc1)C(=O)N[*:1]
O[C@]1(c2cccc(C(F)(F)F)c2)CCSC1 FC(F)(F)[*:1] O[C@@]1(CCSC1)c1cccc(c1)[*:1]
CN(C)C(=O)[C@H]1CC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])O1 CN(C)C(=O)[*:1] O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CC[C@@H](O1)[*:1]
CN(C)C(=O)[C@H]1CC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])O1 O=[N+]([O-])[*:1] CN(C)C(=O)[C@H]1CC[C@H](CNc2ncc(Cl)cc2[*:1])O1
Nc1ccc(NC(=O)CCS(=O)(=O)c2cccs2)c(Cl)c1 c1csc(c1)[*:1] Nc1ccc(NC(=O)CCS(=O)(=O)[*:1])c(Cl)c1
Cn1nc2n(c1=O)CCN(Cc1cccc(OCc3ccccn3)c1)C2 c1ccc(nc1)[*:1] Cn1nc2CN(CCn2c1=O)Cc1cccc(c1)OC[*:1]
Cn1nc2n(c1=O)CCN(Cc1cccc(OCc3ccccn3)c1)C2 c1ccc(C[*:1])nc1 Cn1nc2CN(CCn2c1=O)Cc1cccc(c1)O[*:1]
Cn1nc2n(c1=O)CCN(Cc1cccc(OCc3ccccn3)c1)C2 c1ccc(CO[*:1])nc1 Cn1nc2CN(CCn2c1=O)Cc1cccc(c1)[*:1]
CC(C)Oc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 CC(C)[*:1] O=C(COc1ccc(Br)cc1)Nc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)NC(=O)CO[*:1]
CC(C)Oc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 CC(C)O[*:1] O=C(COc1ccc(Br)cc1)Nc1ccc(cc1)[*:1]
C[C@@H](COc1ccccc1)OC(=O)[C@H]1CCOc2ccccc21 c1ccc(cc1)[*:1] C[C@@H](CO[*:1])OC(=O)[C@H]1CCOc2ccccc21
C[C@@H](COc1ccccc1)OC(=O)[C@H]1CCOc2ccccc21 c1ccc(cc1)O[*:1] C[C@@H](C[*:1])OC(=O)[C@H]1CCOc2ccccc21
C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(-c2ccn[nH]2)cc1 c1cc([nH]n1)[*:1] C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(F)c(c1)[*:1]
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])[C@@H]1CSCN1C(=O)c1ccc(F)c(c1)C(F)(F)F
O=C(CSc1ccccn1)c1cc2ccccc2o1 c1ccc(nc1)[*:1] O=C(CS[*:1])c1cc2ccccc2o1
CC(C)[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)CCC2 CC(C)[*:1] O=S(=O)(N[C@H](CO)[*:1])c1ccc2CCCc2c1
CC(C)[C@@H](CO)NS(=O)(=O)c1ccc2c(c1)CCC2 CC(C)[C@@H](CO)[*:1] O=S(=O)(N[*:1])c1ccc2CCCc2c1
CC[NH2+][C@H](Cc1ncccc1C)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC[NH2+][C@H](Cc1ncccc1C)[*:1]
CC[NH2+][C@H](Cc1ncccc1C)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[NH2+][C@H](Cc1ncccc1C)C[*:1]
O=C(CN1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)C(=O)Cc1ccc(cc1)-c1ccccc1)N[*:1]
O=C(CN1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(Cc1ccc(cc1)-c1ccccc1)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1)NC1CC1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)Cc1ccc(cc1)[*:1])NC1CC1
O=C(CN1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Cc1ccc(cc1)-c1ccccc1)N1CCN(CC1)[*:1]
CCCC(=O)NCC(C)(C)c1ccncc1 CCC[*:1] CC(C)(CNC(=O)[*:1])c1ccncc1
O=S(=O)(CC1CCC1)N(CC1CC1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(CC1CCC1)N(CC1CC1)[*:1]
O=S(=O)(CC1CCC1)N(CC1CC1)c1ccccc1 C1CC1[*:1] O=S(=O)(CC1CCC1)N(C[*:1])c1ccccc1
O=S(=O)(CC1CCC1)N(CC1CC1)c1ccccc1 C1CC(C1)C[*:1] O=S(=O)(N(CC1CC1)c1ccccc1)[*:1]
O=S(=O)(CC1CCC1)N(CC1CC1)c1ccccc1 C1CC(C1)[*:1] O=S(=O)(C[*:1])N(CC1CC1)c1ccccc1
O=S(=O)(CC1CCC1)N(CC1CC1)c1ccccc1 C1CC1C[*:1] O=S(=O)(CC1CCC1)N(c1ccccc1)[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CC(C)(C)OC2 Brc1ccc(o1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2COC(C)(C)Cc21
CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CC(C)(C)OC2 CCOC(=O)[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)c1ccc(Br)o1)c2[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=S)NCCc1ccccc1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=S)NCCc1ccccc1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=S)NCCc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(ccc1NC(=S)NC[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=S)NCCc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=S)NCC[*:1])[N+](=O)[O-]
COc1ccc(Nc2c(Cc3ccccc3)c(C)nc3ncnn23)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(Nc2c(C[*:1])c(C)nc3ncnn23)c(c1)OC
COc1ccc(Nc2c(Cc3ccccc3)c(C)nc3ncnn23)c(OC)c1 c1ccc(cc1)C[*:1] COc1ccc(Nc2c(c(C)nc3ncnn23)[*:1])c(c1)OC
N#C[C@H]1CN(Cc2cc(C#CCO)cs2)CCO1 OCC#C[*:1] N#C[C@H]1CN(CCO1)Cc1cc(cs1)[*:1]
CCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cn1 CCn1cc(cn1)[*:1] O=C(Nc1ccc(cc1)Oc1cccnc1)C1CC[NH+](CC1)C[*:1]
CCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cn1 c1cncc(c1)[*:1] CCn1cc(cn1)C[NH+]1CCC(CC1)C(=O)Nc1ccc(cc1)O[*:1]
CCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cn1 c1cncc(c1)O[*:1] CCn1cc(cn1)C[NH+]1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccccc1CC CCc1ccccc1[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)C(=O)N[*:1]
Cc1cccc2[nH]cc(CCNC(=O)N[C@H](CCO)c3cccs3)c12 c1csc(c1)[*:1] Cc1cccc2[nH]cc(CCNC(=O)N[C@H](CCO)[*:1])c12
Cc1cccc2[nH]cc(CCNC(=O)N[C@H](CCO)c3cccs3)c12 OCC[*:1] Cc1cccc2[nH]cc(CCNC(=O)N[C@H](c3cccs3)[*:1])c12
Cc1nccn1-c1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1F Cc1nccn1[*:1] Cn1nc(ccc1=O)C(=O)Nc1ccc(c(F)c1)[*:1]
Cc1nccn1-c1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1F Cn1nc(ccc1=O)[*:1] Cc1nccn1-c1ccc(cc1F)NC(=O)[*:1]
CCNC(=O)COc1ccc(CN2CCOC[C@@H]2CC)cc1 CCNC(=O)C[*:1] CC[C@H]1COCCN1Cc1ccc(cc1)O[*:1]
CCNC(=O)COc1ccc(CN2CCOC[C@@H]2CC)cc1 CCNC(=O)[*:1] CC[C@H]1COCCN1Cc1ccc(cc1)OC[*:1]
CCNC(=O)COc1ccc(CN2CCOC[C@@H]2CC)cc1 CCNC(=O)CO[*:1] CC[C@H]1COCCN1Cc1ccc(cc1)[*:1]
CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccco2)[nH]n1 CCO[*:1] O=C(N/N=C/c1ccco1)c1cc(n[nH]1)-c1ccccc1[*:1]
CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccco2)[nH]n1 c1coc(c1)[*:1] CCOc1ccccc1-c1cc([nH]n1)C(=O)NN=C[*:1]
CCOc1ccccc1NC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)[C@H]1CCCN(C1)c1nc2cccnc2n(C[*:1])c1=O
CCOc1ccccc1NC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 CCO[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CCCN(C1)c1nc2cccnc2n(Cc2ccccc2)c1=O
CCOc1ccccc1NC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 c1ccc(cc1)C[*:1] CCOc1ccccc1NC(=O)[C@H]1CCCN(C1)c1nc2cccnc2n(c1=O)[*:1]
CCOc1ccccc1NC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 CCOc1ccccc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2cccnc2n(Cc2ccccc2)c1=O
CCOc1ccccc1NC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 CCOc1ccccc1NC(=O)[*:1] O=c1c(nc2cccnc2n1Cc1ccccc1)N1CCC[C@@H](C1)[*:1]
C[NH+](Cc1ccc(F)cc1)Cn1c(=O)oc2cc(Cl)ccc21 Fc1ccc(cc1)[*:1] C[NH+](Cn1c(=O)oc2cc(Cl)ccc21)C[*:1]
CCOc1nc(N[C@@H](CO)C(C)C)ccc1N CC(C)[*:1] CCOc1nc(ccc1N)N[C@@H](CO)[*:1]
CCOc1nc(N[C@@H](CO)C(C)C)ccc1N CCO[*:1] CC(C)[C@H](CO)Nc1ccc(N)c(n1)[*:1]
Cc1nn(C)c2sc(C(=O)Nc3cnc(-c4ccccc4)s3)cc12 c1ccc(cc1)[*:1] Cc1nn(C)c2sc(cc12)C(=O)Nc1cnc(s1)[*:1]
CC(=O)NCCNC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 CC(=O)NC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)NC[*:1]
CC(=O)NCCNC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 CC(=O)N[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)NCC[*:1]
CC(=O)NCCNC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 CC(=O)NCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)N[*:1]
O=C(NC[C@H]1CC=CCC1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] O=C(NC[C@H]1CC=CCC1)c1cccc(c1F)[*:1]
Cc1ccc(NC(=O)c2c(C)oc3c2C2=NCC[N+]2=CN3)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] Cc1oc2NC=[N+]3CCN=C3c2c1C(=O)N[*:1]
CS[C@H](CO)[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C c1ccc(cc1)[*:1] CS[C@H](CO)[C@H](C)[NH2+][C@H](C(C)C)[*:1]
CS[C@H](CO)[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C CC(C)[*:1] CS[C@H](CO)[C@H](C)[NH2+][C@H](c1ccccc1)[*:1]
C[C@@H](NC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(F)c(Cl)c1 C1CC1[*:1] C[C@@H](NC(=O)N1CCOC[C@H]1[*:1])c1ccc(F)c(Cl)c1
Cc1csc(CSCC(=O)N2CCC[C@H]3CCCC[C@@H]32)n1 Cc1csc(n1)[*:1] O=C(CSC[*:1])N1CCC[C@H]2CCCC[C@@H]21
Cc1csc(CSCC(=O)N2CCC[C@H]3CCCC[C@@H]32)n1 Cc1csc(C[*:1])n1 O=C(CS[*:1])N1CCC[C@H]2CCCC[C@@H]21
Cc1ccc(CNC(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)n1c(=O)oc2cc(ccc21)NC(=O)NC[*:1]
Cc1ccc(CNC(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)CNC(=O)Nc1ccc2c(c1)oc(=O)n2[*:1]
Cc1ccc(CNC(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1 Cc1ccc(cc1)C[*:1] CC(C)n1c(=O)oc2cc(ccc21)NC(=O)N[*:1]
Brc1ccc(C2=Nn3c(nnc3-c3cnccn3)SC2)cc1 c1cnc(cn1)[*:1] Brc1ccc(cc1)C1CSc2nnc(n2N=1)[*:1]
Brc1ccc(C2=Nn3c(nnc3-c3cnccn3)SC2)cc1 Brc1ccc(cc1)[*:1] c1cnc(cn1)-c1nnc2SCC(=Nn21)[*:1]
CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 c1ccc(cc1)[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C(=O)[C@@H]1CN(CCO1)C[*:1]
CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 c1ccc(cc1)C[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C(=O)[C@@H]1CN(CCO1)[*:1]
Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)cc1C Cc1ccc(cc1C)[*:1] C[C@@H]([NH2+][C@H](C)c1ccc2OCC(=O)Nc2c1)C(=O)N[*:1]
O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)[O-] FC(F)[*:1] O=C(Nc1ccc(O[*:1])c(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)[O-]
O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)[O-] FC(F)O[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)[O-]
O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1[*:1]
Cc1ccc(Cl)c(OC(=O)c2ncoc2-c2ccco2)c1 c1coc(c1)[*:1] Cc1ccc(Cl)c(c1)OC(=O)c1ncoc1[*:1]
CN(C)c1nc(C/[NH+]=C(/N)N2CCN(c3ccc(F)cc3)CC2)cs1 CN(C)[*:1] N/C(=[NH+]/Cc1csc(n1)[*:1])N1CCN(CC1)c1ccc(F)cc1
CN(C)c1nc(C/[NH+]=C(/N)N2CCN(c3ccc(F)cc3)CC2)cs1 Fc1ccc(cc1)[*:1] CN(C)c1nc(cs1)C/[NH+]=C(/N)N1CCN(CC1)[*:1]
CN(C)c1nc(C/[NH+]=C(/N)N2CCN(c3ccc(F)cc3)CC2)cs1 CN(C)c1nc(cs1)[*:1] N/C(=[NH+]/C[*:1])N1CCN(CC1)c1ccc(F)cc1
Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 Clc1ccc(cc1Cl)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N[C@H](C)C(=O)N[*:1]
NC(=O)c1cccnc1N1CCN(CC(=O)NC2CC2)CC1 NC(=O)[*:1] O=C(CN1CCN(CC1)c1ncccc1[*:1])NC1CC1
NC(=O)c1cccnc1N1CCN(CC(=O)NC2CC2)CC1 O=C(C[*:1])NC1CC1 NC(=O)c1cccnc1N1CCN(CC1)[*:1]
NC(=O)c1cccnc1N1CCN(CC(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] NC(=O)c1cccnc1N1CCN(CC1)C[*:1]
NC(=O)c1cccnc1N1CCN(CC(=O)NC2CC2)CC1 C1CC1[*:1] NC(=O)c1cccnc1N1CCN(CC1)CC(=O)N[*:1]
CCc1ncc(CN(C)C(=O)N[C@@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)s1 CCc1ncc(C[*:1])s1 C[C@H]1C[C@H](C)C[NH+](C1)C[C@H](C)NC(=O)N(C)[*:1]
CCc1ncc(CN(C)C(=O)N[C@@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)s1 CCc1ncc(s1)[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C[C@H](C)NC(=O)N(C)C[*:1]
CN(Cc1ccc(Br)cc1)[C@@H](C(=O)NC1CC1)c1ccccc1 O=C(NC1CC1)[*:1] CN(Cc1ccc(Br)cc1)[C@@H](c1ccccc1)[*:1]
CN(Cc1ccc(Br)cc1)[C@@H](C(=O)NC1CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(Br)cc1)[C@@H](C(=O)NC1CC1)[*:1]
CN(Cc1ccc(Br)cc1)[C@@H](C(=O)NC1CC1)c1ccccc1 Brc1ccc(cc1)[*:1] CN(C[*:1])[C@@H](C(=O)NC1CC1)c1ccccc1
CN(Cc1ccc(Br)cc1)[C@@H](C(=O)NC1CC1)c1ccccc1 C1CC1[*:1] CN(Cc1ccc(Br)cc1)[C@@H](C(=O)N[*:1])c1ccccc1
CC(C)(C(=O)Nc1cccc(CS(C)(=O)=O)c1)c1cccc(C#N)c1 CS(=O)(=O)[*:1] CC(C)(C(=O)Nc1cccc(c1)C[*:1])c1cccc(C#N)c1
CC(C)(C(=O)Nc1cccc(CS(C)(=O)=O)c1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)(C(=O)Nc1cccc(c1)CS(C)(=O)=O)[*:1]
CC(C)(C(=O)Nc1cccc(CS(C)(=O)=O)c1)c1cccc(C#N)c1 CS(=O)(=O)C[*:1] CC(C)(C(=O)Nc1cccc(c1)[*:1])c1cccc(C#N)c1
COc1ccc2c(C)c(C(=O)NCCSc3nncn3C)oc2c1 Cn1cnnc1S[*:1] COc1ccc2c(C)c(oc2c1)C(=O)NCC[*:1]
COc1ccc2c(C)c(C(=O)NCCSc3nncn3C)oc2c1 Cn1cnnc1[*:1] COc1ccc2c(C)c(oc2c1)C(=O)NCCS[*:1]
COc1ccc2c(C)c(C(=O)NCCSc3nncn3C)oc2c1 Cn1cnnc1SC[*:1] COc1ccc2c(C)c(oc2c1)C(=O)NC[*:1]
N#Cc1ccnc(SCC(=O)c2cnc(N3CCCCC3)s2)c1 C1CCN(CC1)[*:1] N#Cc1ccnc(c1)SCC(=O)c1cnc(s1)[*:1]
O=C(NCCc1ccccc1)c1cccnc1Nc1ccccc1 c1ccc(cc1)CC[*:1] O=C(N[*:1])c1cccnc1Nc1ccccc1
O=C(NCCc1ccccc1)c1cccnc1Nc1ccccc1 c1ccc(cc1)N[*:1] O=C(NCCc1ccccc1)c1cccnc1[*:1]
O=C(NCCc1ccccc1)c1cccnc1Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1ccccc1)c1cccnc1N[*:1]
O=C(NCCc1ccccc1)c1cccnc1Nc1ccccc1 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1cccnc1Nc1ccccc1
O=C(NCCc1ccccc1)c1cccnc1Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1cccnc1Nc1ccccc1
Cc1nc2sccc2c(=O)n1NC(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1nc2sccc2c(=O)n1NC(=O)c1cccc(c1)[*:1]
C[C@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2ccncc2)[C@@H]1C c1cc(ccn1)[*:1] C[C@H]1CCC[C@H]([C@@H]1C)N(Cc1ccc2OCOc2c1)C(=O)[*:1]
C[C@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2ccncc2)[C@@H]1C c1cc2OCOc2cc1[*:1] C[C@H]1CCC[C@H]([C@@H]1C)N(C[*:1])C(=O)c1ccncc1
Cc1cc(OC(C)(C)C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Cl Cc1cc(ccc1Cl)[*:1] CC(C)(O[*:1])C(=O)N1CCN(CC1)c1cccc[nH+]1
CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 CS(=O)(=O)[*:1] O=C(c1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)[*:1])N1CCOCC1
CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 O=C(N1CCOCC1)[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)[*:1]
C=CCn1c([C@@H]2S[C@@H]3N=C4CCCN4C(=O)C3=C2C)n[nH]c1=S C=CC[*:1] CC1=C2C(=O)N3CCCC3=N[C@H]2S[C@H]1c1n[nH]c(=S)n1[*:1]
COCC[C@@H](C)C(=O)N(Cc1cccnc1)c1ccc(F)cc1 COC[*:1] C[C@H](C[*:1])C(=O)N(Cc1cccnc1)c1ccc(F)cc1
COCC[C@@H](C)C(=O)N(Cc1cccnc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCC[C@@H](C)C(=O)N(Cc1cccnc1)[*:1]
COCC[C@@H](C)C(=O)N(Cc1cccnc1)c1ccc(F)cc1 COCC[*:1] C[C@@H](C(=O)N(Cc1cccnc1)c1ccc(F)cc1)[*:1]
COCC[C@@H](C)C(=O)N(Cc1cccnc1)c1ccc(F)cc1 c1cncc(c1)C[*:1] COCC[C@@H](C)C(=O)N(c1ccc(F)cc1)[*:1]
COCC[C@@H](C)C(=O)N(Cc1cccnc1)c1ccc(F)cc1 c1cncc(c1)[*:1] COCC[C@@H](C)C(=O)N(C[*:1])c1ccc(F)cc1
O=C(Nc1nc(CN2CCOCC2)cs1)C1(c2ccc(F)cc2)CCCC1 C1CN(CCO1)C[*:1] O=C(Nc1nc(cs1)[*:1])C1(CCCC1)c1ccc(F)cc1
O=C(Nc1nc(CN2CCOCC2)cs1)C1(c2ccc(F)cc2)CCCC1 Fc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)CN1CCOCC1)C1(CCCC1)[*:1]
O=C(Nc1nc(CN2CCOCC2)cs1)C1(c2ccc(F)cc2)CCCC1 C1CN(CCO1)[*:1] O=C(Nc1nc(cs1)C[*:1])C1(CCCC1)c1ccc(F)cc1
Cc1ccc(-c2cc(C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)[nH]n2)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1cc([nH]n1)C(=O)N1C[C@@H](CC[C@@H]1C)[*:1]
Cc1ccc(-c2cc(C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)[nH]n2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CC[C@@H](CN1C(=O)c1cc(n[nH]1)[*:1])C(N)=O
Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)on1 Fc1ccccc1[*:1] Cc1cc(NC(=O)N[C@@H]2CCCN(C2=O)[*:1])on1
Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)on1 Cc1cc(on1)[*:1] O=C(N[C@@H]1CCCN(C1=O)c1ccccc1F)N[*:1]
CC[C@@H](C)NC(=O)Nc1cccn(C)c1=O CC[C@@H](C)[*:1] Cn1cccc(NC(=O)N[*:1])c1=O
Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(-n3nc(C)nc3C)cc2)c1 Cc1cc(C)cc(c1)[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)N[C@@H](C)[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(-n3nc(C)nc3C)cc2)c1 Cc1nc(C)n(n1)[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
N#CCc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 N#CC[*:1] O=C(NCCCCn1cc[nH+]c1)Nc1ccc(cc1)[*:1]
CN(CCO)c1cc(Cl)c(Cl)cc1N OCC[*:1] CN(c1cc(Cl)c(Cl)cc1N)[*:1]
Cc1cccc(-c2nc(=S)c3c(n2CCC[NH+](C)C)CCCC3)c1 Cc1cccc(c1)[*:1] C[NH+](C)CCCn1c(nc(=S)c2CCCCc21)[*:1]
[NH3+][C@H](Cc1ccccc1)c1c(F)cc(Br)cc1F c1ccc(cc1)[*:1] [NH3+][C@H](C[*:1])c1c(F)cc(Br)cc1F
O=C(Nc1cccc(F)c1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 Fc1cccc(c1)[*:1] O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C(=O)N[*:1]
O=C(Nc1cccc(F)c1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cccc(F)c1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
O=C(Nc1cccc(F)c1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)C(=O)N[C@@H](C1CCCC1)[*:1]
NC(=O)[C@@H]1CC(C(=O)NN2Cc3ccccc3C2)=NN1c1ccccc1 NC(=O)[*:1] O=C(NN1Cc2ccccc2C1)C1C[C@H](N(N=1)c1ccccc1)[*:1]
NC(=O)[C@@H]1CC(C(=O)NN2Cc3ccccc3C2)=NN1c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CC(=NN1[*:1])C(=O)NN1Cc2ccccc2C1
Cc1csc(NC(=O)CC2=c3ccccc3=[NH+][C@H]2Sc2cccc(F)c2)n1 Cc1csc(n1)NC(=O)[*:1] Fc1cccc(c1)S[C@@H]1[NH+]=c2ccccc2=C1C[*:1]
Cc1csc(NC(=O)CC2=c3ccccc3=[NH+][C@H]2Sc2cccc(F)c2)n1 Fc1cccc(c1)S[*:1] Cc1csc(n1)NC(=O)CC1=c2ccccc2=[NH+][C@@H]1[*:1]
Cc1csc(NC(=O)CC2=c3ccccc3=[NH+][C@H]2Sc2cccc(F)c2)n1 Cc1csc(n1)[*:1] O=C(CC1=c2ccccc2=[NH+][C@H]1Sc1cccc(F)c1)N[*:1]
Cc1csc(NC(=O)CC2=c3ccccc3=[NH+][C@H]2Sc2cccc(F)c2)n1 Fc1cccc(c1)[*:1] Cc1csc(n1)NC(=O)CC1=c2ccccc2=[NH+][C@H]1S[*:1]
CC[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 CC[C@H](C)NC(=O)[*:1] c1ccc2CN(CCc2c1)Cc1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 CC[C@H](C)[*:1] O=C(N[*:1])c1ccc(cc1)CN1CCc2ccccc2C1
C[C@H](NC(=O)N[C@H]1CCCC1(C)C)c1nc(C(=O)[O-])cs1 O=C([O-])[*:1] C[C@H](NC(=O)N[C@H]1CCCC1(C)C)c1nc(cs1)[*:1]
C[C@H](NC(=O)N[C@H]1CCCC1(C)C)c1nc(C(=O)[O-])cs1 CC1(C)CCC[C@@H]1[*:1] C[C@H](NC(=O)N[*:1])c1nc(cs1)C(=O)[O-]
Cc1c(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)oc2c1C(=O)CCC2 NC(=O)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N1Cc2ccccc2C[C@@H]1[*:1]
CCCCNC(=O)[C@H]1CC[C@H](C)N(c2ncnc3sc(C)cc23)C1 CCCC[*:1] Cc1cc2c(ncnc2s1)N1C[C@H](CC[C@@H]1C)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CC[C@H](C)N(c2ncnc3sc(C)cc23)C1 CCC[*:1] Cc1cc2c(ncnc2s1)N1C[C@H](CC[C@@H]1C)C(=O)NC[*:1]
CCCCNC(=O)[C@H]1CC[C@H](C)N(c2ncnc3sc(C)cc23)C1 CCCCNC(=O)[*:1] Cc1cc2c(ncnc2s1)N1C[C@H](CC[C@@H]1C)[*:1]
CC[NH+](CCC(=O)Nc1cc(N)ccc1F)CC(C)(C)O CC(C)(O)C[*:1] CC[NH+](CCC(=O)Nc1cc(N)ccc1F)[*:1]
CC[NH+](CCC(=O)Nc1cc(N)ccc1F)CC(C)(C)O CC(C)(O)[*:1] CC[NH+](CCC(=O)Nc1cc(N)ccc1F)C[*:1]
Cc1ccc([N+](=O)[O-])c(NC(=O)c2nn(-c3ccccc3)nc2C)c1C O=[N+]([O-])[*:1] Cc1ccc(c(NC(=O)c2nn(nc2C)-c2ccccc2)c1C)[*:1]
Cc1ccc([N+](=O)[O-])c(NC(=O)c2nn(-c3ccccc3)nc2C)c1C c1ccc(cc1)[*:1] Cc1ccc(c(NC(=O)c2nn(nc2C)[*:1])c1C)[N+](=O)[O-]
CN(CC(=O)N[C@H]1CCCCc2ccccc21)c1cnccn1 c1cnc(cn1)[*:1] CN(CC(=O)N[C@H]1CCCCc2ccccc21)[*:1]
c1csc(Cn2ccnc2-c2ccnc3ccccc23)c1 c1csc(c1)[*:1] c1ccc2c(ccnc2c1)-c1nccn1C[*:1]
c1csc(Cn2ccnc2-c2ccnc3ccccc23)c1 c1csc(c1)C[*:1] c1ccc2c(ccnc2c1)-c1nccn1[*:1]
CN(C(=O)c1ccc2nc(-c3ccccc3)cn2c1)C1CC[NH+](C)CC1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc2nc(cn2c1)[*:1])C1CC[NH+](C)CC1
Cn1cnn(-c2ccc(NC(=O)NC3(c4ccccc4F)CC3)cc2)c1=O Fc1ccccc1[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)NC2(CC2)[*:1])c1=O
Cn1cnn(-c2ccc(NC(=O)NC3(c4ccccc4F)CC3)cc2)c1=O Cn1cnn(c1=O)[*:1] O=C(Nc1ccc(cc1)[*:1])NC1(CC1)c1ccccc1F
CNc1cc(COc2ccccc2OC)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1cc(ccc1[*:1])COc1ccccc1OC
COc1ccc(C(=O)NC(=S)Nc2ccc(C(N)=O)cc2)cc1Br NC(=O)[*:1] COc1ccc(cc1Br)C(=O)NC(=S)Nc1ccc(cc1)[*:1]
COc1cc2cc(C)c(SCC(=O)NCc3cccs3)nc2cc1OC c1csc(c1)C[*:1] COc1cc2cc(C)c(nc2cc1OC)SCC(=O)N[*:1]
COc1cc2cc(C)c(SCC(=O)NCc3cccs3)nc2cc1OC c1csc(c1)[*:1] COc1cc2cc(C)c(nc2cc1OC)SCC(=O)NC[*:1]
Clc1cccc(-c2cnc(CSc3nnc(Cc4ccccc4)o3)o2)c1 c1ccc(cc1)[*:1] Clc1cccc(c1)-c1cnc(CSc2nnc(C[*:1])o2)o1
Clc1cccc(-c2cnc(CSc3nnc(Cc4ccccc4)o3)o2)c1 Clc1cccc(c1)[*:1] c1ccc(cc1)Cc1nnc(o1)SCc1ncc(o1)[*:1]
Clc1cccc(-c2cnc(CSc3nnc(Cc4ccccc4)o3)o2)c1 c1ccc(cc1)C[*:1] Clc1cccc(c1)-c1cnc(CSc2nnc(o2)[*:1])o1
Cc1ccc(NC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1ccc(NC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NC1CCN(CC1)C(=O)N[*:1]
CC(C)C[C@H](C/[NH+]=C(/N)N[C@@H]1CCOc2ccccc21)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@H](C/[NH+]=C(/N)N[C@@H]1CCOc2ccccc21)[*:1]
CC(C)C[C@H](C/[NH+]=C(/N)N[C@@H]1CCOc2ccccc21)N1CCOCC1 CC(C)[*:1] N/C(N[C@@H]1CCOc2ccccc21)=[NH+]/C[C@@H](C[*:1])N1CCOCC1
CC(C)C[C@H](C/[NH+]=C(/N)N[C@@H]1CCOc2ccccc21)N1CCOCC1 CC(C)C[*:1] N/C(N[C@@H]1CCOc2ccccc21)=[NH+]/C[C@H](N1CCOCC1)[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1C COC(=O)C[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] COC(=O)C[C@H]1CCCCN1C(=O)c1cccc(c1C)[*:1]
COC(=O)C[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1C COC(=O)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C[*:1]
CCn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCc1ccccc1[N+](=O)[O-]
CCn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1ccco1 O=[N+]([O-])[*:1] CCn1c(nnc1-c1ccco1)SCc1ccccc1[*:1]
CC(=O)N[C@H](CC(=O)Nc1ccc(SC(F)F)cc1)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@H](CC(=O)Nc1ccc(cc1)SC(F)F)[*:1]
CC(=O)N[C@H](CC(=O)Nc1ccc(SC(F)F)cc1)c1cccs1 FC(F)S[*:1] CC(=O)N[C@H](CC(=O)Nc1ccc(cc1)[*:1])c1cccs1
CC(=O)N[C@H](CC(=O)Nc1ccc(SC(F)F)cc1)c1cccs1 CC(=O)N[*:1] O=C(C[C@H](c1cccs1)[*:1])Nc1ccc(cc1)SC(F)F
CC(=O)N[C@H](CC(=O)Nc1ccc(SC(F)F)cc1)c1cccs1 FC(F)[*:1] CC(=O)N[C@H](CC(=O)Nc1ccc(cc1)S[*:1])c1cccs1
Cc1nnc(Sc2c(N)cc(C(=O)OC(C)C)cc2Cl)n1N Cc1nnc(n1N)[*:1] CC(C)OC(=O)c1cc(N)c(S[*:1])c(Cl)c1
Cc1nnc(Sc2c(N)cc(C(=O)OC(C)C)cc2Cl)n1N CC(C)OC(=O)[*:1] Cc1nnc(Sc2c(N)cc(cc2Cl)[*:1])n1N
Cc1nnc(Sc2c(N)cc(C(=O)OC(C)C)cc2Cl)n1N CC(C)[*:1] Cc1nnc(Sc2c(N)cc(cc2Cl)C(=O)O[*:1])n1N
O=C(N[C@@H]1CCCNC1=O)c1csc(C#CCCO)c1 OCCC#C[*:1] O=C(N[C@@H]1CCCNC1=O)c1csc(c1)[*:1]
O=C(N[C@@H]1CCCNC1=O)c1csc(C#CCCO)c1 OCC[*:1] O=C(N[C@@H]1CCCNC1=O)c1csc(C#C[*:1])c1
CCOC[C@@H]1CCN(C(=O)[C@@H](C)Sc2nnnn2C2CC2)C1 C1CC1[*:1] CCOC[C@@H]1CCN(C1)C(=O)[C@@H](C)Sc1nnnn1[*:1]
CCOC[C@@H]1CCN(C(=O)[C@@H](C)Sc2nnnn2C2CC2)C1 CCO[*:1] C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)[C@@H](C)Sc2nnnn2C2CC2)C1 CCOC[*:1] C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@H](C1)[*:1]
CC[C@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)[*:1]
CC[C@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)c1c(C)nn(C)c1C Clc1ccc(cc1)C[*:1] CC[C@H](NC(=O)C[C@@H](C)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)c1c(C)nn(C)c1C Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)C[C@@H](C)C[*:1])c1c(C)nn(C)c1C
CCc1ccccc1NC(=O)[C@@H](C)CCOc1ccccc1 c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)[C@@H](C)CCO[*:1]
CCc1ccccc1NC(=O)[C@@H](C)CCOc1ccccc1 c1ccc(cc1)O[*:1] CCc1ccccc1NC(=O)[C@@H](C)CC[*:1]
CC(C)(C)n1cc(C[NH+]2CCCN(C(=O)c3cccs3)CC2)cn1 CC(C)(C)[*:1] O=C(c1cccs1)N1CCC[NH+](CC1)Cc1cnn(c1)[*:1]
CC(C)(C)n1cc(C[NH+]2CCCN(C(=O)c3cccs3)CC2)cn1 c1csc(c1)[*:1] CC(C)(C)n1cc(cn1)C[NH+]1CCCN(CC1)C(=O)[*:1]
CC(=O)Nc1cc(NCc2c(C)nn(C)c2Cl)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NCc1c(C)nn(C)c1Cl
CC(=O)N1CCc2cc(NC(=O)Cc3ccccc3C)ccc21 Cc1ccccc1[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)C[*:1]
CN(C)C(=O)c1ccc(CNC(=O)c2cn(C)nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)c1cn(C)nc1[*:1]
CN(C)C(=O)c1ccc(CNC(=O)c2cn(C)nc2-c2ccccc2)cc1 CN(C)C(=O)[*:1] Cn1cc(C(=O)NCc2ccc(cc2)[*:1])c(n1)-c1ccccc1
COc1ccc(CC[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)cc1 COc1ccc(cc1)C[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]C[*:1])[C@H]3[C@@H]3O[C@@]132
COc1ccc(CC[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)cc1 COc1ccc(cc1)[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CC[*:1])[C@H]3[C@@H]3O[C@@]132
O=C1CCCN1c1cccc(-c2csc(CCc3ccccc3)n2)c1 O=C1CCCN1[*:1] c1ccc(cc1)CCc1nc(cs1)-c1cccc(c1)[*:1]
O=C1CCCN1c1cccc(-c2csc(CCc3ccccc3)n2)c1 c1ccc(cc1)[*:1] O=C1CCCN1c1cccc(c1)-c1csc(CC[*:1])n1
O=C1CCCN1c1cccc(-c2csc(CCc3ccccc3)n2)c1 c1ccc(cc1)CC[*:1] O=C1CCCN1c1cccc(c1)-c1csc(n1)[*:1]
O=C1CCCN1c1cccc(-c2csc(CCc3ccccc3)n2)c1 c1ccc(cc1)C[*:1] O=C1CCCN1c1cccc(c1)-c1csc(C[*:1])n1
Cc1cc(C)c(OC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1 C1CN(CCO1)[*:1] Cc1cc(C)c(OC(=O)c2ccc(cc2)[*:1])c(C)c1
C[C@@H]1C(C(=O)OCCOc2ccccc2)=NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 c1ccc(cc1)OCC[*:1] C[C@@H]1C(=NC2C[C@H](CC(=O)C=21)c1ccc(F)cc1)C(=O)O[*:1]
C[C@@H]1C(C(=O)OCCOc2ccccc2)=NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 c1ccc(cc1)OC[*:1] C[C@@H]1C(=NC2C[C@H](CC(=O)C=21)c1ccc(F)cc1)C(=O)OC[*:1]
C[C@@H]1C(C(=O)OCCOc2ccccc2)=NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 Fc1ccc(cc1)[*:1] C[C@@H]1C(=NC2C[C@@H](CC(=O)C=21)[*:1])C(=O)OCCOc1ccccc1
C[C@@H]1C(C(=O)OCCOc2ccccc2)=NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 c1ccc(cc1)[*:1] C[C@@H]1C(=NC2C[C@H](CC(=O)C=21)c1ccc(F)cc1)C(=O)OCCO[*:1]
C[C@@H]1C(C(=O)OCCOc2ccccc2)=NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 c1ccc(cc1)O[*:1] C[C@@H]1C(=NC2C[C@H](CC(=O)C=21)c1ccc(F)cc1)C(=O)OCC[*:1]
CC(=O)c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 CC(=O)[*:1] O=S(=O)(NCc1ccccc1Cl)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
Cc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2c1 c1cc2OCOc2cc1[*:1] Cc1ccc2nc(cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2c1)[*:1]
Cc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(cc(C(=O)Nc3c(C)n(C)n(c3=O)[*:1])c2c1)-c1ccc2OCOc2c1
O=C([O-])C1CCN(c2ccnnc2)CC1 O=C([O-])[*:1] c1cc(cnn1)N1CCC(CC1)[*:1]
COc1cccc(CNC(=O)c2nc(C(C)(C)C)n[nH]2)c1 CC(C)(C)[*:1] COc1cccc(c1)CNC(=O)c1nc(n[nH]1)[*:1]
Cn1ncnc1CCNC(=O)c1ccc(C#N)cc1 Cn1ncnc1[*:1] N#Cc1ccc(cc1)C(=O)NCC[*:1]
CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC[NH+](C)C CCCC[*:1] Cc1c(c(NCC[NH+](C)C)n2c(nc3ccccc32)c1C#N)[*:1]
CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC[NH+](C)C CCC[*:1] Cc1c(C[*:1])c(NCC[NH+](C)C)n2c(nc3ccccc32)c1C#N
CC(=O)c1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1 Clc1ccc(s1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CC[NH+]1CCN(CC1)C[*:1]
CC(=O)c1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1 CC(=O)[*:1] O=C(CC[NH+]1CCN(CC1)Cc1ccc(Cl)s1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)Cc1ccc(Cl)s1)N[*:1]
CC(=O)c1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1 Clc1ccc(C[*:1])s1 CC(=O)c1ccc(cc1)NC(=O)CC[NH+]1CCN(CC1)[*:1]
COCCN(Cc1cnc(Cl)s1)C1CC1 COC[*:1] Clc1ncc(CN(C[*:1])C2CC2)s1
COCCN(Cc1cnc(Cl)s1)C1CC1 COCC[*:1] Clc1ncc(CN(C2CC2)[*:1])s1
COCCN(Cc1cnc(Cl)s1)C1CC1 C1CC1[*:1] COCCN(Cc1cnc(Cl)s1)[*:1]
COc1cc2nc(SCC(=O)[O-])nc([O-])c2cc1OC O=C([O-])CS[*:1] COc1cc2nc(nc([O-])c2cc1OC)[*:1]
COc1cc2nc(SCC(=O)[O-])nc([O-])c2cc1OC O=C([O-])C[*:1] COc1cc2nc(nc([O-])c2cc1OC)S[*:1]
COc1cc2nc(SCC(=O)[O-])nc([O-])c2cc1OC O=C([O-])[*:1] COc1cc2nc(nc([O-])c2cc1OC)SC[*:1]
CC(C)[C@@H](C)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 CC(C)[*:1] C[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)[*:1]
CC(C)[C@@H](C)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 CC(C)[C@@H](C)[*:1] O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[*:1]
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2occc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] N#C[C@@H](N1CCN(CC1)C(=O)c1occc1-c1ccccc1)[*:1]
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2occc2-c2ccccc2)CC1 N#C[C@@H](c1ccccc1)[*:1] O=C(c1occc1-c1ccccc1)N1CCN(CC1)[*:1]
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2occc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] N#C[C@@H](c1ccccc1)N1CCN(CC1)C(=O)c1occc1[*:1]
CCOC(=O)N1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)CC1 Cc1ccc(cc1)C[*:1] CCOC(=O)N1CCN(CC1)c1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
CCOC(=O)N1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
COc1cccc(CN2C(=O)[C@@]3(SCC(=O)N3c3ccc(C)cc3)c3ccccc32)c1 COc1cccc(c1)C[*:1] Cc1ccc(cc1)N1C(=O)CS[C@@]12C(=O)N(c1ccccc12)[*:1]
COc1cccc(CN2C(=O)[C@@]3(SCC(=O)N3c3ccc(C)cc3)c3ccccc32)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)N1C(=O)CS[C@@]12C(=O)N(C[*:1])c1ccccc12
COc1cccc(CN2C(=O)[C@@]3(SCC(=O)N3c3ccc(C)cc3)c3ccccc32)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)CN1C(=O)[C@@]2(SCC(=O)N2[*:1])c2ccccc21
O=C(NCCCOC1CCOCC1)NCc1cc(=O)[nH]c2ccccc12 C1CC(CCO1)[*:1] O=C(NCCCO[*:1])NCc1cc(=O)[nH]c2ccccc12
O=C(NCCCOC1CCOCC1)NCc1cc(=O)[nH]c2ccccc12 C1CC(CCO1)OC[*:1] O=C(NCC[*:1])NCc1cc(=O)[nH]c2ccccc12
O=C(NCCCOC1CCOCC1)NCc1cc(=O)[nH]c2ccccc12 C1CC(CCO1)O[*:1] O=C(NCCC[*:1])NCc1cc(=O)[nH]c2ccccc12
CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(NC(C)=O)cc2)C1 CC(=O)N[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)COCO3)N2CCOCC2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1ccc2OCOCc2c1
Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)COCO3)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)c1ccc2OCOCc2c1)[*:1]
C[NH+](CC(=O)N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1)C1CC1 C1CC1[*:1] C[NH+](CC(=O)N1CCCN(CC1)c1[nH]c2ccccc2[nH+]1)[*:1]
CCC(CC)c1cc(CNC(=O)N[C@H]2CCC[C@H]2CO)on1 CCC(CC)[*:1] O=C(NCc1cc(no1)[*:1])N[C@H]1CCC[C@H]1CO
Cc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccn2)n[nH]1 c1ccc(nc1)[*:1] Cc1ccccc1NC(=O)[C@H](C)Sc1nc(n[nH]1)[*:1]
Cc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccn2)n[nH]1 Cc1ccccc1[*:1] C[C@H](Sc1nc(n[nH]1)-c1ccccn1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c(OC)c1 O=C1CCCN1[*:1] COc1ccc(c(c1)OC)S(=O)(=O)Nc1ccc(cc1)[*:1]
C[C@@H](CCC[C@@H](C)[NH3+])c1nc([C@@H]2C[NH+]3CCN2CC3)no1 C[C@@H]([NH3+])[*:1] C[C@@H](CCC[*:1])c1nc(no1)[C@@H]1C[NH+]2CCN1CC2
C[C@@H](CCC[C@@H](C)[NH3+])c1nc([C@@H]2C[NH+]3CCN2CC3)no1 C[C@@H]([NH3+])C[*:1] C[C@@H](CC[*:1])c1nc(no1)[C@@H]1C[NH+]2CCN1CC2
C[C@@H](CCC[C@@H](C)[NH3+])c1nc([C@@H]2C[NH+]3CCN2CC3)no1 C[C@@H]([NH3+])CCC[*:1] C[C@@H](c1nc(no1)[C@@H]1C[NH+]2CCN1CC2)[*:1]
C[C@@H](CCC[C@@H](C)[NH3+])c1nc([C@@H]2C[NH+]3CCN2CC3)no1 C[C@@H]([NH3+])CC[*:1] C[C@@H](C[*:1])c1nc(no1)[C@@H]1C[NH+]2CCN1CC2
C[C@H](C[NH+]1CCCCC1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)CS(=O)(=O)C[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)NCC(=O)OC(C)C)c2)n1 CCc1noc(n1)[*:1] Cc1ccc(cc1NC(=O)NCC(=O)OC(C)C)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)NCC(=O)OC(C)C)c2)n1 CC(C)[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)NCC(=O)O[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)NCC(=O)OC(C)C)c2)n1 CC(C)OC(=O)C[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)N[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)NCC(=O)OC(C)C)c2)n1 CC(C)OC(=O)[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)NC[*:1]
CCCCCNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 CCCC[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)NC[*:1]
CCCCCNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCCCCNC(=O)c1nc(C)n(n1)[*:1]
CCCCCNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 CCC[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)NCC[*:1]
CCCCCNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 CCCCC[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)N[*:1]
Cc1cccc(C)c1OC1CN(C(=O)CN2CC(=O)NC2=O)C1 O=C1CN(C(=O)N1)[*:1] Cc1cccc(C)c1OC1CN(C1)C(=O)C[*:1]
CCCOc1ccccc1CN1C(=O)C(=O)c2cccc(C)c21 CCCO[*:1] Cc1cccc2C(=O)C(=O)N(Cc3ccccc3[*:1])c12
CCCOc1ccccc1CN1C(=O)C(=O)c2cccc(C)c21 CCC[*:1] Cc1cccc2C(=O)C(=O)N(Cc3ccccc3O[*:1])c12
Cc1cc(C)c(CC(=O)c2ncc[nH]2)c(C)c1 c1c[nH]c(n1)[*:1] Cc1cc(C)c(CC(=O)[*:1])c(C)c1
COC(C)(C)C[C@H](C)NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C COC(C)(C)C[*:1] Cc1nn(cc1C(=O)N[C@@H](C)[*:1])-c1ccc(Cl)cc1
COC(C)(C)C[C@H](C)NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C Clc1ccc(cc1)[*:1] COC(C)(C)C[C@H](C)NC(=O)c1cn(nc1C)[*:1]
COC(C)(C)C[C@H](C)NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C COC(C)(C)[*:1] Cc1nn(cc1C(=O)N[C@@H](C)C[*:1])-c1ccc(Cl)cc1
C=C(C)C[C@@H](O)c1cccc(C)c1 C=C(C)C[*:1] Cc1cccc(c1)[C@H](O)[*:1]
C=C(C)C[C@@H](O)c1cccc(C)c1 C=C(C)[*:1] Cc1cccc(c1)[C@H](O)C[*:1]
C[C@@H](NC(=O)NC[C@H]1CC=CCC1)[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)NC[C@H]1CC=CCC1)[C@@H](O)[*:1]
CCc1ccc([C@H](CC)[NH2+][C@H](C)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@H](CC)[NH2+][C@H](C)[*:1]
COCCOc1ncccc1C(=O)Nc1c(-c2ccccc2)nc2ccccn12 COC[*:1] O=C(Nc1c(nc2ccccn12)-c1ccccc1)c1cccnc1OC[*:1]
COCCOc1ncccc1C(=O)Nc1c(-c2ccccc2)nc2ccccn12 COCCO[*:1] O=C(Nc1c(nc2ccccn12)-c1ccccc1)c1cccnc1[*:1]
COCCOc1ncccc1C(=O)Nc1c(-c2ccccc2)nc2ccccn12 c1ccc(cc1)[*:1] COCCOc1ncccc1C(=O)Nc1c(nc2ccccn12)[*:1]
COCCOc1ncccc1C(=O)Nc1c(-c2ccccc2)nc2ccccn12 COCC[*:1] O=C(Nc1c(nc2ccccn12)-c1ccccc1)c1cccnc1O[*:1]
CC[NH+](CC(=O)N(C(C)C)C(C)C)CC1CC[NH2+]CC1 CC(C)[*:1] CC[NH+](CC(=O)N(C(C)C)[*:1])CC1CC[NH2+]CC1
C=CCONC(=C)C([O-])=C1C(=O)CCCC1=O C=CC[*:1] C=C(NO[*:1])C([O-])=C1C(=O)CCCC1=O
C=CCONC(=C)C([O-])=C1C(=O)CCCC1=O C=CCON[*:1] C=C(C([O-])=C1C(=O)CCCC1=O)[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N[C@@H]1CCS(=O)(=O)C1 C1CCN(C1)[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)N[C@@H]1CCS(=O)(=O)C1
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N[C@@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] O=C(Nc1cc(ccc1N1CCCC1)[*:1])N[C@@H]1CCS(=O)(=O)C1
CCC[C@H]1C[C@@H]1NC(=O)Cn1cnc2c(C)cccc2c1=O CCC[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N[C@H]1C[C@@H]1[*:1]
C[C@H]1CC(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C[C@H](C)O1 N#Cc1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(CC[NH+](C)C)C[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NCC[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NC[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NCCN1CCOCC1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)NCCN1CCOCC1)[*:1]
C[C@H](NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)C(N)=O O=C([O-])[*:1] C[C@H](NC(=O)N[C@](C)(C(F)(F)F)[*:1])C(N)=O
C[C@H](NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)C(N)=O FC(F)(F)[*:1] C[C@H](NC(=O)N[C@](C)(C(=O)[O-])[*:1])C(N)=O
C[C@H](NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)C(N)=O NC(=O)[*:1] C[C@H](NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)[*:1]
C[C@H](NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)C(N)=O C[C@H](C(N)=O)[*:1] C[C@@](NC(=O)N[*:1])(C(=O)[O-])C(F)(F)F
O=C1C[C@]2(CCSC2)C(=O)N1Cc1ncc(-c2cccc(F)c2)o1 Fc1cccc(c1)[*:1] O=C1C[C@]2(CCSC2)C(=O)N1Cc1ncc(o1)[*:1]
Nc1cc(NC(=O)[C@@H]2CCCO2)ccc1Br C1CO[C@@H](C1)[*:1] Nc1cc(ccc1Br)NC(=O)[*:1]
Cc1ccc(CC(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)cc1O Cc1ccc(cc1O)[*:1] C[C@H]1CN(Cc2cccc(c2)NC(=O)C[*:1])C[C@@H](C)O1
Cc1ccc(CC(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)cc1O Cc1ccc(cc1O)C[*:1] C[C@H]1CN(Cc2cccc(c2)NC(=O)[*:1])C[C@@H](C)O1
O=C(Nc1ccc(Br)cc1)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cc1)[C@H]1C[C@@H](O)CN1C(=O)O[*:1]
O=C(Nc1ccc(Br)cc1)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 Brc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1
O=C(Cn1cnnn1)Nc1sccc1C(=O)NC1CC1 c1nnnn1C[*:1] O=C(NC1CC1)c1ccsc1NC(=O)[*:1]
O=C(Cn1cnnn1)Nc1sccc1C(=O)NC1CC1 C1CC1[*:1] O=C(Cn1cnnn1)Nc1sccc1C(=O)N[*:1]
O=C(Cn1cnnn1)Nc1sccc1C(=O)NC1CC1 O=C(NC1CC1)[*:1] O=C(Cn1cnnn1)Nc1sccc1[*:1]
O=C(Cn1cnnn1)Nc1sccc1C(=O)NC1CC1 c1nnnn1[*:1] O=C(C[*:1])Nc1sccc1C(=O)NC1CC1
Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C(C)C)C1CC1 CC(C)[*:1] Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C1CC1)[*:1]
Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C(C)C)C1CC1 C1CC1[*:1] Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C(C)C)[*:1]
Nc1nccnc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 Nc1nccnc1[*:1] O=C(N1CC=C(CC1)c1ccc(O)cc1)[*:1]
Nc1nccnc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] Nc1nccnc1C(=O)N1CC=C(CC1)[*:1]
O=C(Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1)NCc1cccs1 c1csc(c1)C[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccc(F)cc1Cl)N[*:1]
O=C(Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1)NCc1cccs1 O=C(NCc1cccs1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc(F)cc1Cl
O=C(Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1)NCc1cccs1 Fc1ccc(c(Cl)c1)[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])NCc1cccs1
O=C(Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1)NCc1cccs1 c1csc(c1)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccc(F)cc1Cl)NC[*:1]
C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)NC[C@H]1CC(=O)N(C1)C[*:1]
C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 c1ccc(cc1)C[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)NC[C@H]1CC(=O)N(C1)[*:1]
NC(=O)Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCCS3 NC(=O)C[*:1] O=c1c2c(nc3SCCCn31)c1cc(F)ccc1n2[*:1]
NC(=O)Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCCS3 NC(=O)[*:1] O=c1c2c(nc3SCCCn31)c1cc(F)ccc1n2C[*:1]
C[NH2+][C@]1(C(=O)[O-])CCC[C@H](Sc2n[nH]c(=O)n2C)C1 O=C([O-])[*:1] C[NH2+][C@@]1(CCC[C@@H](C1)Sc1n[nH]c(=O)n1C)[*:1]
COc1ccc(-c2noc(C[NH2+]C3CCCCC3)n2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)-c1noc(C[NH2+][*:1])n1
COc1cccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)c1 O=[N+]([O-])[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)c1ccc(cc1F)[*:1]
COc1cccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)c1 COc1cccc(c1)[*:1] O=C(c1ccc(cc1F)[N+](=O)[O-])N1CCC[C@H]1[*:1]
N#CCN1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 O=C(N[*:1])C1CC1 N#CCN1CCN(CC1)C(=O)c1cc2ccccc2cc1[*:1]
N#CCN1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 C1CC1[*:1] N#CCN1CCN(CC1)C(=O)c1cc2ccccc2cc1NC(=O)[*:1]
N#CCN1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1 N#CC[*:1] O=C(Nc1cc2ccccc2cc1C(=O)N1CCN(CC1)[*:1])C1CC1
COCCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2ccccc21 COC[*:1] O=C(/N=c1\sc2ccccc2n1C[*:1])c1nc2ccccc2s1
COCCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2ccccc21 COCC[*:1] O=C(/N=c1\sc2ccccc2n1[*:1])c1nc2ccccc2s1
Cc1cc(C)n(-c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cn2)n1 O=[N+]([O-])[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)OCc1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cn2)n1 Cc1cc(C)n(n1)[*:1] O=C(OCc1ccc(cc1)[N+](=O)[O-])c1ccc(nc1)[*:1]
Cc1ccc([N-]S(=O)(=O)c2cn(CC(C)C)c3ncccc23)cc1F CC(C)[*:1] Cc1ccc(cc1F)[N-]S(=O)(=O)c1cn(C[*:1])c2ncccc12
Cc1ccc([N-]S(=O)(=O)c2cn(CC(C)C)c3ncccc23)cc1F Cc1ccc(cc1F)[*:1] CC(C)Cn1cc(c2cccnc21)S(=O)(=O)[N-][*:1]
Cc1ccc([N-]S(=O)(=O)c2cn(CC(C)C)c3ncccc23)cc1F CC(C)C[*:1] Cc1ccc(cc1F)[N-]S(=O)(=O)c1cn(c2ncccc12)[*:1]
CCc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccncc3)cs2)cc1 CCc1ccc(cc1)[*:1] C[C@H](NC(=O)Cc1csc(n1)[*:1])c1ccncc1
CCc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccncc3)cs2)cc1 C[C@@H](c1ccncc1)[*:1] CCc1ccc(cc1)-c1nc(cs1)CC(=O)N[*:1]
CCc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccncc3)cs2)cc1 c1cc(ccn1)[*:1] CCc1ccc(cc1)-c1nc(cs1)CC(=O)N[C@@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C3CC3)C[C@@H]2c2ccccc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=S(=O)(N1CCN(C[C@@H]1c1ccccc1)C1CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C3CC3)C[C@@H]2c2ccccc2)c(C)c1 C1CC1[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(C[C@@H]1c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C3CC3)C[C@@H]2c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(C[C@H]1[*:1])C1CC1
C[C@@H](NC1COC1)c1c(F)cccc1F C1OCC1N[*:1] C[C@@H](c1c(F)cccc1F)[*:1]
C[C@@H](NC1COC1)c1c(F)cccc1F C1OCC1[*:1] C[C@@H](N[*:1])c1c(F)cccc1F
CCCOc1ccccc1/C=C/C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 NC(=O)[*:1] CCCOc1ccccc1/C=C/C(=O)Nc1sc2C[C@H](C)CCc2c1[*:1]
CCCOc1ccccc1/C=C/C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 CCC[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)/C=C/c1ccccc1O[*:1])c2C(N)=O
CCCOc1ccccc1/C=C/C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 CCCO[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)/C=C/c1ccccc1[*:1])c2C(N)=O
C[NH+](CCn1c(=O)oc2cccnc21)Cc1cccs1 c1csc(c1)[*:1] C[NH+](CCn1c(=O)oc2cccnc21)C[*:1]
C[NH+](CCn1c(=O)oc2cccnc21)Cc1cccs1 c1csc(c1)C[*:1] C[NH+](CCn1c(=O)oc2cccnc21)[*:1]
Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)c1ccc(nc1)[*:1] Cc1cccc(c1NC(=O)C[NH+]1CCCN(CC1)[*:1])[N+](=O)[O-]
Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 Cc1cccc(c1[*:1])[N+](=O)[O-] O=C(C[NH+]1CCCN(CC1)c1ccc(cn1)C(F)(F)F)N[*:1]
Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 O=[N+]([O-])[*:1] Cc1cccc(c1NC(=O)C[NH+]1CCCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] Cc1cccc(c1NC(=O)C[NH+]1CCCN(CC1)c1ccc(cn1)[*:1])[N+](=O)[O-]
O=C(NCc1ccc2c(c1)OCO2)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 c1cc2OCOc2cc1C[*:1] O=C(N[*:1])c1cn(cc2-c1nn(-c1ccccc1)c2=O)C[C@H]1CCCO1
O=C(NCc1ccc2c(c1)OCO2)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1cn(cc2-c1nn(-c1ccccc1)c2=O)C[C@H]1CCCO1
O=C(NCc1ccc2c(c1)OCO2)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 c1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)c1cn(cc2-c1nn(c2=O)[*:1])C[C@H]1CCCO1
C[C@H]([NH2+]CC/N=C(\O)c1ncccc1O)c1cccc(-c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H]([NH2+]CC/N=C(\O)c1ncccc1O)c1cccc(c1)[*:1]
C[C@H]([NH2+]CC/N=C(\O)c1ncccc1O)c1cccc(-c2ccccc2)c1 Oc1cccnc1[*:1] C[C@H]([NH2+]CC/N=C(\O)[*:1])c1cccc(c1)-c1ccccc1
Cc1noc(COCC(=O)N2CCSC[C@@H]2c2ccc(C)o2)n1 Cc1noc(C[*:1])n1 Cc1ccc(o1)[C@H]1CSCCN1C(=O)CO[*:1]
Cc1noc(COCC(=O)N2CCSC[C@@H]2c2ccc(C)o2)n1 Cc1ccc(o1)[*:1] Cc1noc(COCC(=O)N2CCSC[C@H]2[*:1])n1
Cc1noc(COCC(=O)N2CCSC[C@@H]2c2ccc(C)o2)n1 Cc1noc(n1)[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)COC[*:1]
O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl C1CC1[*:1] O=C(CSc1nnc(C2CC2)n1[*:1])Nc1ccc(cc1Cl)[N+](=O)[O-]
O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc(cc1Cl)[*:1]
O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl C1CC1[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])Nc1ccc(cc1Cl)[N+](=O)[O-]
Cc1ccc([C@H]2CCCN2C(=O)CCOC2CCOCC2)cc1C C1CC(CCO1)O[*:1] Cc1ccc(cc1C)[C@H]1CCCN1C(=O)CC[*:1]
Cc1ccc([C@H]2CCCN2C(=O)CCOC2CCOCC2)cc1C C1CC(CCO1)OC[*:1] Cc1ccc(cc1C)[C@H]1CCCN1C(=O)C[*:1]
Cc1ccc([C@H]2CCCN2C(=O)CCOC2CCOCC2)cc1C Cc1ccc(cc1C)[*:1] O=C(CCOC1CCOCC1)N1CCC[C@@H]1[*:1]
Cc1ccc([C@H]2CCCN2C(=O)CCOC2CCOCC2)cc1C C1CC(CCO1)[*:1] Cc1ccc(cc1C)[C@H]1CCCN1C(=O)CCO[*:1]
CCCN1CCO[C@H](C(=N)OCC)C1 CCC[*:1] CCOC(=N)[C@@H]1CN(CCO1)[*:1]
COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)nc12 O=[N+]([O-])[*:1] COc1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)/C=C\c1ccc(cc1)[*:1]
COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)nc12 O=[N+]([O-])c1ccc(cc1)[*:1] COc1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)C=C[*:1]
O=C(c1nn(-c2cccc(Br)c2)c2c1CCCC2)N1CCC[C@@H]2COCC[C@H]21 Brc1cccc(c1)[*:1] O=C(c1nn(c2CCCCc12)[*:1])N1CCC[C@@H]2COCC[C@H]21
Cc1ccc(/C([O-])=C(\C#N)C(=O)c2ccc([N+](=O)[O-])cc2)s1 Cc1ccc(s1)[*:1] N#C/C(C(=O)c1ccc(cc1)[N+](=O)[O-])=C(/[O-])[*:1]
Cc1ccc(/C([O-])=C(\C#N)C(=O)c2ccc([N+](=O)[O-])cc2)s1 O=[N+]([O-])[*:1] Cc1ccc(s1)/C([O-])=C(\C#N)C(=O)c1ccc(cc1)[*:1]
C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)o2)c2ccccc21 NC(=O)[*:1] C[C@H]1CC[C@@H]([NH2+]Cc2ccc(o2)[*:1])c2ccccc21
CSc1ccc2cc(CN3C(=O)N[C@](C)(c4ccco4)C3=O)c(Cl)nc2c1 c1coc(c1)[*:1] CSc1ccc2cc(CN3C(=O)N[C@](C)(C3=O)[*:1])c(Cl)nc2c1
CC/[NH+]=C(/NCc1ccnc(-n2ccnc2)c1)N[C@H]1CCS(=O)(=O)C1 c1cn(cn1)[*:1] CC/[NH+]=C(/NCc1ccnc(c1)[*:1])N[C@H]1CCS(=O)(=O)C1
O=C(NCc1ccccn1)C1CN(c2nc3ccccc3s2)C1 c1ccc(C[*:1])nc1 O=C(N[*:1])C1CN(C1)c1nc2ccccc2s1
O=C(NCc1ccccn1)C1CN(c2nc3ccccc3s2)C1 c1ccc(nc1)[*:1] O=C(NC[*:1])C1CN(C1)c1nc2ccccc2s1
C[C@@H](c1ccco1)N(C(=O)c1nccn2ccnc12)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)c1nccn2ccnc12)C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)c1nccn2ccnc12)C1CC1 C[C@@H](c1ccco1)[*:1] O=C(c1nccn2ccnc12)N(C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)c1nccn2ccnc12)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)c1nccn2ccnc12)[*:1]
Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 FC(F)(F)[*:1] Nc1nc(cs1)-c1cccc(c1)[*:1]
O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@@H]1CC(=O)N(c2ccccc2F)C1 c1cc2OCCc2cc1[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1F
O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@@H]1CC(=O)N(c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(Nc1nc(cs1)-c1ccc2OCCc2c1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)n1 c1ccc(cc1)C[*:1] Cc1cccc(n1)NC(=O)[C@H](NC(=O)[*:1])C(C)C
Cc1cccc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)n1 c1ccc(cc1)[*:1] Cc1cccc(n1)NC(=O)[C@H](NC(=O)C[*:1])C(C)C
Cc1cccc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)n1 CC(C)[*:1] Cc1cccc(n1)NC(=O)[C@H](NC(=O)Cc1ccccc1)[*:1]
Cc1cccc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)n1 Cc1cccc(n1)[*:1] CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N[*:1]
CC(C)C[C@H](NC(=O)/C=C/C1CC1)c1cccs1 C1CC1[*:1] CC(C)C[C@H](NC(=O)C=C[*:1])c1cccs1
CC(C)C[C@H](NC(=O)/C=C/C1CC1)c1cccs1 c1csc(c1)[*:1] CC(C)C[C@H](NC(=O)/C=C/C1CC1)[*:1]
CC(C)C[C@H](NC(=O)/C=C/C1CC1)c1cccs1 C(=C[*:1])C1CC1 CC(C)C[C@H](NC(=O)[*:1])c1cccs1
CC(C)C[C@H](NC(=O)/C=C/C1CC1)c1cccs1 CC(C)[*:1] O=C(/C=C/C1CC1)N[C@@H](C[*:1])c1cccs1
CC(C)C[C@H](NC(=O)/C=C/C1CC1)c1cccs1 CC(C)C[*:1] O=C(/C=C/C1CC1)N[C@H](c1cccs1)[*:1]
Cc1ncc(CO)c(/C=N/NC(=S)Nc2ccc(C(C)C)cc2)c1O CC(C)[*:1] Cc1ncc(CO)c(/C=N/NC(=S)Nc2ccc(cc2)[*:1])c1O
CC(=O)Nc1cccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 CC(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])c1cc2cc(Cl)ccc2[nH]1
C[C@](CO)(NC(=O)Nc1cccnc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@](CO)(NC(=O)Nc1cccnc1)c1cccc(c1)[*:1]
C[C@](CO)(NC(=O)Nc1cccnc1)c1cccc(C(F)(F)F)c1 c1cncc(c1)[*:1] C[C@](CO)(NC(=O)N[*:1])c1cccc(c1)C(F)(F)F
COCCN1CCN(C(=O)NCCc2csc(C(C)(C)C)n2)CC1=O CC(C)(C)[*:1] COCCN1CCN(CC1=O)C(=O)NCCc1csc(n1)[*:1]
COCCN1CCN(C(=O)NCCc2csc(C(C)(C)C)n2)CC1=O COC[*:1] CC(C)(C)c1nc(cs1)CCNC(=O)N1CCN(C[*:1])C(=O)C1
COCCN1CCN(C(=O)NCCc2csc(C(C)(C)C)n2)CC1=O COCC[*:1] CC(C)(C)c1nc(cs1)CCNC(=O)N1CCN(C(=O)C1)[*:1]
COc1cccc(CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 COc1cccc(c1)[*:1] O=C(NCCC[*:1])c1c[nH]c2ccc(cc12)[N+](=O)[O-]
COc1cccc(CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 O=[N+]([O-])[*:1] COc1cccc(c1)CCCNC(=O)c1c[nH]c2ccc(cc12)[*:1]
C[NH2+][C@@H](Cc1ccccc1)c1ccc(C)cc1F c1ccc(cc1)[*:1] C[NH2+][C@@H](C[*:1])c1ccc(C)cc1F
COc1ccc([C@@H](O)CN[C@@H](C)c2sccc2C)cc1OC Cc1ccsc1[*:1] COc1ccc(cc1OC)[C@@H](O)CN[C@@H](C)[*:1]
O=C(NCCC(=O)N1CCCC1)NCc1ccc(Cn2cnc3ccccc32)cc1 c1ccc2c(c1)ncn2C[*:1] O=C(NCCC(=O)N1CCCC1)NCc1ccc(cc1)[*:1]
O=C(NCCC(=O)N1CCCC1)NCc1ccc(Cn2cnc3ccccc32)cc1 O=C(C[*:1])N1CCCC1 O=C(NCc1ccc(cc1)Cn1cnc2ccccc21)NC[*:1]
O=C(NCCC(=O)N1CCCC1)NCc1ccc(Cn2cnc3ccccc32)cc1 O=C(N1CCCC1)[*:1] O=C(NCC[*:1])NCc1ccc(cc1)Cn1cnc2ccccc21
O=C(NCCC(=O)N1CCCC1)NCc1ccc(Cn2cnc3ccccc32)cc1 c1ccc2c(c1)ncn2[*:1] O=C(NCCC(=O)N1CCCC1)NCc1ccc(cc1)C[*:1]
O=C(NCCC(=O)N1CCCC1)NCc1ccc(Cn2cnc3ccccc32)cc1 O=C(CC[*:1])N1CCCC1 O=C(NCc1ccc(cc1)Cn1cnc2ccccc21)N[*:1]
CCS(=O)(=O)c1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1 CCS(=O)(=O)[*:1] Cn1cc(CC(=O)Nc2ccc(cc2)[*:1])c2ccccc21
CCOCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O CCO[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccc(cc3)[N+](=O)[O-])N2C(=O)CN1CCC[*:1]
CCOCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])c1ccc(cc1)[*:1] CCOCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@H]2[*:1])C1=O
CCOCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O CCOC[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccc(cc3)[N+](=O)[O-])N2C(=O)CN1CC[*:1]
CCOCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O CCOCC[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccc(cc3)[N+](=O)[O-])N2C(=O)CN1C[*:1]
CCOCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O CCOCCC[*:1] O=C1CN(C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccc(cc3)[N+](=O)[O-])N12)[*:1]
CCOCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] CCOCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(cc2)[*:1])C1=O
CC[NH+]1CCN(CC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CC1 O=C(N[*:1])c1ccoc1 CC[NH+]1CCN(CC1)CC(=O)Nc1cccc(c1)[*:1]
CC[NH+]1CCN(CC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CC1 c1cc(co1)[*:1] CC[NH+]1CCN(CC1)CC(=O)Nc1cccc(c1)NC(=O)[*:1]
O=C(CNC(=O)c1ccccn1)N/N=C/c1cccc([N+](=O)[O-])c1 c1ccc(nc1)[*:1] O=C(CNC(=O)[*:1])N/N=C/c1cccc(c1)[N+](=O)[O-]
O=C(CNC(=O)c1ccccn1)N/N=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CNC(=O)c1ccccn1)N/N=C/c1cccc(c1)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nc3ccccc3s2)s1 Fc1ccccc1O[*:1] C[C@H](C(=O)NNC(=O)c1ccc(s1)-c1nc2ccccc2s1)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nc3ccccc3s2)s1 C[C@H](Oc1ccccc1F)[*:1] O=C(NNC(=O)[*:1])c1ccc(s1)-c1nc2ccccc2s1
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nc3ccccc3s2)s1 Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1ccc(s1)-c1nc2ccccc2s1
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nc3ccccc3s2)s1 c1ccc2sc(nc2c1)[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(s1)[*:1]
O=C([O-])[C@H]1C[NH2+]CCN1Cc1cccc(F)c1 O=C([O-])[*:1] Fc1cccc(c1)CN1CC[NH2+]C[C@@H]1[*:1]
O=C(COc1ccc(F)cc1)NNC(=O)c1cccs1 c1csc(c1)[*:1] O=C(COc1ccc(F)cc1)NNC(=O)[*:1]
CCNC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc12 CCNC(=O)[*:1] C[C@H](NC(=O)c1n[nH]c2ccccc12)[*:1]
O=C(C[C@H]1OCCc2ccsc21)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C(C[C@H]1OCCc2ccsc21)N1CCCC[C@@H]1C[*:1]
O=C(C[C@H]1OCCc2ccsc21)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C(C[C@H]1OCCc2ccsc21)N1CCCC[C@H]1[*:1]
COC(=O)[C@H](CO)NS(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](CO)NS(=O)(=O)C[*:1]
COC(=O)[C@H](CO)NS(=O)(=O)Cc1ccccc1 COC(=O)[*:1] O=S(=O)(Cc1ccccc1)N[C@@H](CO)[*:1]
Cc1cccc(Oc2ccc(NC(=O)NCC(=O)NCC(C)C)cc2)c1 Cc1cccc(c1)[*:1] CC(C)CNC(=O)CNC(=O)Nc1ccc(cc1)O[*:1]
Cc1cccc(Oc2ccc(NC(=O)NCC(=O)NCC(C)C)cc2)c1 CC(C)C[*:1] Cc1cccc(c1)Oc1ccc(cc1)NC(=O)NCC(=O)N[*:1]
Cc1cccc(Oc2ccc(NC(=O)NCC(=O)NCC(C)C)cc2)c1 CC(C)[*:1] Cc1cccc(c1)Oc1ccc(cc1)NC(=O)NCC(=O)NC[*:1]
Cc1cccc(Oc2ccc(NC(=O)NCC(=O)NCC(C)C)cc2)c1 CC(C)CNC(=O)C[*:1] Cc1cccc(c1)Oc1ccc(cc1)NC(=O)N[*:1]
Cc1cccc(Oc2ccc(NC(=O)NCC(=O)NCC(C)C)cc2)c1 Cc1cccc(c1)O[*:1] CC(C)CNC(=O)CNC(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(Oc2ccc(NC(=O)NCC(=O)NCC(C)C)cc2)c1 CC(C)CNC(=O)[*:1] Cc1cccc(c1)Oc1ccc(cc1)NC(=O)NC[*:1]
Cc1cccc(NC(=O)C(=O)N[C@H](C)CCCO)c1C C[C@H](CCCO)[*:1] Cc1cccc(NC(=O)C(=O)N[*:1])c1C
Cc1cccc(NC(=O)C(=O)N[C@H](C)CCCO)c1C OCCC[*:1] Cc1cccc(NC(=O)C(=O)N[C@H](C)[*:1])c1C
Cc1cccc(NC(=O)C(=O)N[C@H](C)CCCO)c1C OCC[*:1] Cc1cccc(NC(=O)C(=O)N[C@H](C)C[*:1])c1C
O=C(NCc1ccc2c(c1)OCCO2)c1cnccn1 c1cnc(cn1)[*:1] O=C(NCc1ccc2OCCOc2c1)[*:1]
O=C(CCn1cccn1)N1CCN(c2ncccn2)CC1 c1cnn(c1)CC[*:1] O=C(N1CCN(CC1)c1ncccn1)[*:1]
O=C(CCn1cccn1)N1CCN(c2ncccn2)CC1 c1cnn(c1)C[*:1] O=C(C[*:1])N1CCN(CC1)c1ncccn1
O=C(CCn1cccn1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(CCn1cccn1)N1CCN(CC1)[*:1]
O=C(CCn1cccn1)N1CCN(c2ncccn2)CC1 c1cnn(c1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ncccn1
CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@H]3C(N)=O)cc2C1 CC(C)(C)[*:1] NC(=O)[C@@H]1CCCN1C(=O)c1cc2C[C@@H](CCc2s1)[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@H]3C(N)=O)cc2C1 NC(=O)[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)N1CCC[C@@H]1[*:1]
C[C@H]1C[C@H](N2CCC(O)(C(F)(F)F)CC2)C(=O)O1 FC(F)(F)[*:1] C[C@H]1C[C@@H](C(=O)O1)N1CCC(O)(CC1)[*:1]
CCCNc1ccnc(-c2cnn(C)c2C)n1 CCCN[*:1] Cc1c(cnn1C)-c1nccc(n1)[*:1]
CCCNc1ccnc(-c2cnn(C)c2C)n1 CCC[*:1] Cc1c(cnn1C)-c1nccc(n1)N[*:1]
Cc1ccc(-n2cnc3cc(C(=O)N4CCCC4)ccc32)c(C)c1 O=C(N1CCCC1)[*:1] Cc1ccc(c(C)c1)-n1cnc2cc(ccc21)[*:1]
Cc1ccc(-n2cnc3cc(C(=O)N4CCCC4)ccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(c1ccc2c(c1)ncn2[*:1])N1CCCC1
CCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)CC1 CCCNC(=O)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc(cc1)C1(CC1)[*:1]
CCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)CC1 CCC[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc(cc1)C1(CC1)C(=O)N[*:1]
CCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)CC1 Cc1ccc(c(C)c1)[*:1] CCCNC(=O)C1(CC1)c1ccc(cc1)NS(=O)(=O)[*:1]
CCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)CC1 CCCNC(=O)C1(CC1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCOc1cc(C(=O)O[C@@H](C#N)CC)ccn1 CC[C@H](C#N)[*:1] CCOc1cc(ccn1)C(=O)O[*:1]
CCOc1cc(C(=O)O[C@@H](C#N)CC)ccn1 CCO[*:1] CC[C@H](C#N)OC(=O)c1ccnc(c1)[*:1]
CNC(=O)c1ccc(CN(C)C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)cc1 CNC(=O)[*:1] CO[C@]1(C)C[C@@H](NC(=O)N(C)Cc2ccc(cc2)[*:1])C1(C)C
O=C(NC(C1CC1)C1CC1)[C@@H]1CCOc2ccccc21 C1CC1[*:1] O=C(NC(C1CC1)[*:1])[C@@H]1CCOc2ccccc21
CCn1c([O-])c2ccc(C(=O)Nc3ccccc3-n3cncn3)cc2nc1=S c1ncn(n1)[*:1] CCn1c([O-])c2ccc(cc2nc1=S)C(=O)Nc1ccccc1[*:1]
CC(=O)CC(=O)N[C@@H]1CCC[C@H](C)C1 CC(=O)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C[*:1]
CC(=O)CC(=O)N[C@@H]1CCC[C@H](C)C1 CC(=O)C[*:1] C[C@H]1CCC[C@H](C1)NC(=O)[*:1]
Cc1nc2cc(C(=O)[O-])ccc2n1C O=C([O-])[*:1] Cc1nc2cc(ccc2n1C)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)N3c4ccccc4C[C@@H]3C)cs2)c1 CC(=O)Nc1cccc(c1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(n1)SCC(=O)N[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)N3c4ccccc4C[C@@H]3C)cs2)c1 CC(=O)N[*:1] C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(n1)SCC(=O)Nc1cccc(c1)[*:1]
C[C@H]1Oc2c(cccc2C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)NC1=O c1ccc2[nH]c(nc2c1)[*:1] C[C@H]1Oc2c(cccc2C(=O)Nc2ccccc2[*:1])NC1=O
CCn1cc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)cn1 CCn1cc(cn1)[*:1] Cc1ccc2nc([N-]S(=O)(=O)[*:1])sc2c1
CCCCCCC(=O)N1CCCC[C@H]1C(=O)[O-] CCCC[*:1] O=C([O-])[C@@H]1CCCCN1C(=O)CC[*:1]
CCCCCCC(=O)N1CCCC[C@H]1C(=O)[O-] CCCCC[*:1] O=C([O-])[C@@H]1CCCCN1C(=O)C[*:1]
CCCCCCC(=O)N1CCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] CCCCCCC(=O)N1CCCC[C@@H]1[*:1]
CCCCCCC(=O)N1CCCC[C@H]1C(=O)[O-] CCC[*:1] O=C([O-])[C@@H]1CCCCN1C(=O)CCC[*:1]
CC(C)=C1Oc2c(ccc(OC(=O)[C@H](Cl)c3ccccc3)c2C)C1=O c1ccc(cc1)[*:1] CC(C)=C1Oc2c(ccc(OC(=O)[C@H](Cl)[*:1])c2C)C1=O
CC(C)=C1Oc2c(ccc(OC(=O)[C@H](Cl)c3ccccc3)c2C)C1=O Cl[C@H](c1ccccc1)[*:1] CC(C)=C1Oc2c(ccc(OC(=O)[*:1])c2C)C1=O
CC[C@H](C)NC(=O)CCc1c(C)nn(C)c1C CC[C@H](C)[*:1] Cc1nn(C)c(C)c1CCC(=O)N[*:1]
O=C(Nc1nc(C(=O)N2CCn3c2nc2ccccc23)co1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(c1coc(n1)[*:1])N1CCn2c1nc1ccccc12
O=C(Nc1nc(C(=O)N2CCn3c2nc2ccccc23)co1)c1cccs1 c1csc(c1)[*:1] O=C(c1coc(n1)NC(=O)[*:1])N1CCn2c1nc1ccccc12
O=C([O-])CCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 O=C([O-])CC[*:1] O=C(Nc1ccc(Br)c(c1)[N+](=O)[O-])[*:1]
O=C([O-])CCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C([O-])CCC(=O)Nc1ccc(Br)c(c1)[*:1]
O=C([O-])CCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 O=C([O-])[*:1] O=C(CC[*:1])Nc1ccc(Br)c(c1)[N+](=O)[O-]
O=C([O-])CCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 O=C([O-])C[*:1] O=C(C[*:1])Nc1ccc(Br)c(c1)[N+](=O)[O-]
C[C@H](c1nncn1C1CCCC1)n1cc(-c2cnc(-c3ccccn3)nc2)nn1 C1CCC(C1)[*:1] C[C@H](c1nncn1[*:1])n1cc(nn1)-c1cnc(nc1)-c1ccccn1
C[C@H](c1nncn1C1CCCC1)n1cc(-c2cnc(-c3ccccn3)nc2)nn1 c1ccc(nc1)[*:1] C[C@H](c1nncn1C1CCCC1)n1cc(nn1)-c1cnc(nc1)[*:1]
Cc1cc(N)ccc1S(=O)(=O)Nc1ccc(C(C)C)cc1 CC(C)[*:1] Cc1cc(N)ccc1S(=O)(=O)Nc1ccc(cc1)[*:1]
O=C(NCC1CCOCC1)c1cc(-c2cccnc2)c2cnccc2n1 c1cncc(c1)[*:1] O=C(NCC1CCOCC1)c1cc(c2cnccc2n1)[*:1]
O=C(NCC1CCOCC1)c1cc(-c2cccnc2)c2cnccc2n1 C1CC(CCO1)[*:1] O=C(NC[*:1])c1cc(-c2cccnc2)c2cnccc2n1
O=C(NCC1CCOCC1)c1cc(-c2cccnc2)c2cnccc2n1 C1CC(CCO1)C[*:1] O=C(N[*:1])c1cc(-c2cccnc2)c2cnccc2n1
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(N)=O)cc3N2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)[C@H]1C[C@H](n2nc(cc2N1)C(N)=O)[*:1]
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(N)=O)cc3N2)cc1OC NC(=O)[*:1] COc1ccc(cc1OC)[C@H]1C[C@@H](n2nc(cc2N1)[*:1])C(F)(F)F
C[C@H](c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](c1ccc(cc1)NC(=O)N1CCN(CC1)Cc1ccccc1)[*:1]
C[C@H](c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1)N1CCOCC1 c1ccc(cc1)C[*:1] C[C@H](c1ccc(cc1)NC(=O)N1CCN(CC1)[*:1])N1CCOCC1
C[C@H](c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1)N1CCOCC1 c1ccc(cc1)[*:1] C[C@H](c1ccc(cc1)NC(=O)N1CCN(CC1)C[*:1])N1CCOCC1
COc1ccc2c(c1)NC1(CCN(C(=O)CCn3nccc3C)CC1)NS2(=O)=O Cc1ccnn1CC[*:1] COc1ccc2c(c1)NC1(CCN(CC1)C(=O)[*:1])NS2(=O)=O
COc1ccc2c(c1)NC1(CCN(C(=O)CCn3nccc3C)CC1)NS2(=O)=O Cc1ccnn1C[*:1] COc1ccc2c(c1)NC1(CCN(CC1)C(=O)C[*:1])NS2(=O)=O
COc1ccc2c(c1)NC1(CCN(C(=O)CCn3nccc3C)CC1)NS2(=O)=O Cc1ccnn1[*:1] COc1ccc2c(c1)NC1(CCN(CC1)C(=O)CC[*:1])NS2(=O)=O
Cc1nc2ccccn2c1C(=O)NNC(=O)CCc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nc2ccccn2c1C(=O)NNC(=O)CC[*:1]
Cc1nc2ccccn2c1C(=O)NNC(=O)CCc1cccc(F)c1 Fc1cccc(c1)C[*:1] Cc1nc2ccccn2c1C(=O)NNC(=O)C[*:1]
CCc1n[nH]c([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 CCc1n[nH]c(n1)[*:1] O=C(CCCn1cccn1)N1CCO[C@H](C1)[*:1]
CCc1n[nH]c([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 c1cnn(c1)C[*:1] CCc1n[nH]c(n1)[C@H]1CN(CCO1)C(=O)CC[*:1]
CCc1n[nH]c([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 c1cnn(c1)[*:1] CCc1n[nH]c(n1)[C@H]1CN(CCO1)C(=O)CCC[*:1]
CCc1n[nH]c([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 c1cnn(c1)CC[*:1] CCc1n[nH]c(n1)[C@H]1CN(CCO1)C(=O)C[*:1]
Cc1c(C(=O)O[C@@H]2CC[C@@H](S(C)(=O)=O)C2)oc2ccc(Cl)cc12 CS(=O)(=O)[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)O[C@@H]1CC[C@@H](C1)[*:1]
CCCn1c(C)nnc1S[C@H](C)C(=O)N1CCNC1=O CCC[*:1] Cc1nnc(S[C@H](C)C(=O)N2CCNC2=O)n1[*:1]
Cc1nc2ccc(NC(=O)C(=O)NCc3ccc(F)cc3)cc2o1 Fc1ccc(cc1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)NC[*:1]
Cc1nc2ccc(NC(=O)C(=O)NCc3ccc(F)cc3)cc2o1 Fc1ccc(cc1)C[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)N[*:1]
CCCNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] CCCNC(=O)[*:1] O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCCNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] CCC[*:1] O=C(N[*:1])c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
CCCNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCNC(=O)c1ccc(cc1[*:1])[N+](=O)[O-]
CCCNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCNC(=O)c1ccc(cc1[N+](=O)[O-])[*:1]
COc1ccc(OC)c(CN(C)S(=O)(=O)c2cc(C)c(C)s2)c1 Cc1cc(sc1C)[*:1] COc1ccc(OC)c(c1)CN(C)S(=O)(=O)[*:1]
Cc1c(CC(=O)N2CCN(CCO)CC2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 Fc1ccc(cc1)[*:1] Cc1c(CC(=O)N2CCN(CCO)CC2)c(=O)oc2cc3occ(c3cc12)[*:1]
Cc1c(CC(=O)N2CCN(CCO)CC2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 O=C(N1CCN(CCO)CC1)[*:1] Cc1c(C[*:1])c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12
Cc1c(CC(=O)N2CCN(CCO)CC2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 OCC[*:1] Cc1c(CC(=O)N2CCN(CC2)[*:1])c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12
COc1ccc(-c2nc(C[NH+](Cc3ccccn3)C(C)C)co2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)-c1nc(co1)C[NH+](C[*:1])C(C)C
COc1ccc(-c2nc(C[NH+](Cc3ccccn3)C(C)C)co2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nc(co1)C[NH+](Cc1ccccn1)[*:1]
COc1ccc(-c2nc(C[NH+](Cc3ccccn3)C(C)C)co2)cc1 COc1ccc(cc1)[*:1] CC(C)[NH+](Cc1ccccn1)Cc1coc(n1)[*:1]
COc1ccc(-c2nc(C[NH+](Cc3ccccn3)C(C)C)co2)cc1 c1ccc(C[*:1])nc1 COc1ccc(cc1)-c1nc(co1)C[NH+](C(C)C)[*:1]
Cc1ncc([C@@H](C)NCc2cccc(NC(=O)Cn3cccn3)c2)s1 c1cnn(c1)C[*:1] Cc1ncc(s1)[C@@H](C)NCc1cccc(c1)NC(=O)[*:1]
Cc1ncc([C@@H](C)NCc2cccc(NC(=O)Cn3cccn3)c2)s1 c1cnn(c1)[*:1] Cc1ncc(s1)[C@@H](C)NCc1cccc(c1)NC(=O)C[*:1]
Cc1ncc([C@@H](C)NCc2cccc(NC(=O)Cn3cccn3)c2)s1 Cc1ncc(s1)[*:1] C[C@@H](NCc1cccc(c1)NC(=O)Cn1cccn1)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)NCC#CCOc1ccc(F)cc1F Fc1ccc(O[*:1])c(F)c1 O=C(CN1C(=O)c2ccccc2C1=O)NCC#CC[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)NCC#CCOc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)NCC#CCO[*:1]
COc1ccc(CNC(=O)NCC2(c3ccc(OC)cc3)CCCC2)cc1 COc1ccc(cc1)C[*:1] COc1ccc(cc1)C1(CCCC1)CNC(=O)N[*:1]
COc1ccc(CNC(=O)NCC2(c3ccc(OC)cc3)CCCC2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C1(CCCC1)CNC(=O)NC[*:1]
COc1ccc(CNC(=O)NCC2(c3ccc(OC)cc3)CCCC2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)NCC1(CCCC1)[*:1]
Cc1nc(NC(=O)COC(=O)c2cc3c(cc2O)CCCC3)sc1C Cc1nc(sc1C)[*:1] O=C(COC(=O)c1cc2CCCCc2cc1O)N[*:1]
CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCC)cc1)CC(=O)N2 CCC[*:1] CCOc1ccc(cc1)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)S[*:1]
CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCC)cc1)CC(=O)N2 CCCS[*:1] CCOc1ccc(cc1)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCC)cc1)CC(=O)N2 CCO[*:1] CCCSc1nc2NC(=O)C[C@@H](c3ccc(cc3)[*:1])c2c(=O)[nH]1
O=C1CC[C@H](n2cc([N+](=O)[O-])cn2)C1 O=[N+]([O-])[*:1] O=C1CC[C@@H](C1)n1cc(cn1)[*:1]
Cc1csc2nc(CCNS(=O)(=O)c3cccs3)cn12 c1csc(c1)[*:1] Cc1csc2nc(cn12)CCNS(=O)(=O)[*:1]
CCC1CCN(C(=O)NC[C@@H]2CC[C@H](C(=O)[O-])O2)CC1 O=C([O-])[*:1] CCC1CCN(CC1)C(=O)NC[C@@H]1CC[C@H](O1)[*:1]
Cc1ccc(N(C)C[C@H](C)CS)c(C)c1 C[C@H](CS)[*:1] Cc1ccc(c(C)c1)N(C)C[*:1]
Cc1cc(C(=O)NCC[C@H](O)C(F)(F)F)on1 FC(F)(F)[*:1] Cc1cc(on1)C(=O)NCC[C@H](O)[*:1]
NC(=O)[C@H](CC(=O)NC1CC1)N1CC[NH2+]CC1 NC(=O)[*:1] O=C(C[C@H](N1CC[NH2+]CC1)[*:1])NC1CC1
NC(=O)[C@H](CC(=O)NC1CC1)N1CC[NH2+]CC1 C1CC1[*:1] NC(=O)[C@H](CC(=O)N[*:1])N1CC[NH2+]CC1
COCc1nc(-c2ccc(CCNS(C)(=O)=O)s2)cs1 CS(=O)(=O)NC[*:1] COCc1nc(cs1)-c1ccc(C[*:1])s1
COCc1nc(-c2ccc(CCNS(C)(=O)=O)s2)cs1 COC[*:1] CS(=O)(=O)NCCc1ccc(s1)-c1csc(n1)[*:1]
COCc1nc(-c2ccc(CCNS(C)(=O)=O)s2)cs1 CS(=O)(=O)N[*:1] COCc1nc(cs1)-c1ccc(CC[*:1])s1
C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)CCN1CCOC1=O O=C1OCCN1C[*:1] C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)C[*:1]
C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)CCN1CCOC1=O O=C1OCCN1[*:1] C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)CC[*:1]
CCCn1c([C@H]2CCN(C(=O)Cc3cccc(F)c3)C2)nc2cccnc21 Fc1cccc(c1)[*:1] CCCn1c(nc2cccnc21)[C@H]1CCN(C1)C(=O)C[*:1]
CCCn1c([C@H]2CCN(C(=O)Cc3cccc(F)c3)C2)nc2cccnc21 CCC[*:1] O=C(Cc1cccc(F)c1)N1CC[C@@H](C1)c1nc2cccnc2n1[*:1]
CCCn1c([C@H]2CCN(C(=O)Cc3cccc(F)c3)C2)nc2cccnc21 Fc1cccc(c1)C[*:1] CCCn1c(nc2cccnc21)[C@H]1CCN(C1)C(=O)[*:1]
CCCOc1ccccc1-c1cc(C[NH3+])n[nH]1 CCCO[*:1] [NH3+]Cc1cc([nH]n1)-c1ccccc1[*:1]
CCCOc1ccccc1-c1cc(C[NH3+])n[nH]1 CCC[*:1] [NH3+]Cc1cc([nH]n1)-c1ccccc1O[*:1]
CC(=O)Nc1ccc(OC[C@H](O)c2ccc(F)cc2)cc1 CC(=O)N[*:1] O[C@@H](COc1ccc(cc1)[*:1])c1ccc(F)cc1
CC(=O)Nc1ccc(OC[C@H](O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)OC[C@H](O)[*:1]
CC(C)NC(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1 CC(C)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)N[*:1])NC1CCCC1
CC(C)NC(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1 C1CCC(C1)[*:1] CC(C)NC(=O)N1CCc2nc(NC(=O)N[*:1])sc2C1
CC1(C)CCC[C@@H]1NC(=O)NNC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC1(C)CCC[C@@H]1NC(=O)NNC(=O)[*:1]
Cc1csc(-c2ccc(NC(=O)[C@@H](C)OC[C@H]3CCCO3)cc2)n1 C1CO[C@H](C1)C[*:1] Cc1csc(n1)-c1ccc(cc1)NC(=O)[C@@H](C)O[*:1]
Cc1csc(-c2ccc(NC(=O)[C@@H](C)OC[C@H]3CCCO3)cc2)n1 C1CO[C@H](C1)[*:1] Cc1csc(n1)-c1ccc(cc1)NC(=O)[C@@H](C)OC[*:1]
Cc1csc(-c2ccc(NC(=O)[C@@H](C)OC[C@H]3CCCO3)cc2)n1 Cc1csc(n1)[*:1] C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(cc1)[*:1]
Cc1csc(-c2ccc(NC(=O)[C@@H](C)OC[C@H]3CCCO3)cc2)n1 C1CO[C@H](C1)CO[*:1] Cc1csc(n1)-c1ccc(cc1)NC(=O)[C@@H](C)[*:1]
COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N\c2ccccn2)NC1=O c1ccc(nc1)[*:1] COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=N[*:1])NC1=O
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(N)=O)CC2)c1 Cc1ccc(C)c(c1)[*:1] NC(=O)c1sccc1S(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(N)=O)CC2)c1 NC(=O)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)S(=O)(=O)c1ccsc1[*:1]
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(N)=O)CC2)c1 NC(=O)c1sccc1[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1nnc(o1)[*:1]
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)o1 COc1ccccc1[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nnc(o1)-c1ccccc1)[*:1]
O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1cc(ccc1Cl)[*:1]
COc1ccccc1-n1ncnc1CSc1nncn1C Cn1cnnc1S[*:1] COc1ccccc1-n1ncnc1C[*:1]
COc1ccccc1-n1ncnc1CSc1nncn1C Cn1cnnc1[*:1] COc1ccccc1-n1ncnc1CS[*:1]
O=C(NC[C@H]1CC[C@@H](C(=O)[O-])O1)Nc1cccc(F)c1 O=C([O-])[*:1] O=C(NC[C@H]1CC[C@@H](O1)[*:1])Nc1cccc(F)c1
CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccncc2)cc1 CC[C@@H](C)NC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccncc1
CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccncc2)cc1 CC[C@@H](C)[*:1] O=C(NCc1ccc(cc1)C(=O)N[*:1])c1ccncc1
CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)CNC(=O)[*:1]
C[C@@H](Nc1ccc(CO)cc1)C(=O)Nc1ccccc1C(C)(C)C OCc1ccc(cc1)[*:1] C[C@@H](N[*:1])C(=O)Nc1ccccc1C(C)(C)C
C[C@@H](Nc1ccc(CO)cc1)C(=O)Nc1ccccc1C(C)(C)C CC(C)(C)[*:1] C[C@@H](Nc1ccc(cc1)CO)C(=O)Nc1ccccc1[*:1]
CCOC(=O)C1(C(=O)Nc2ccc(F)cn2)CC1 CCOC(=O)[*:1] O=C(Nc1ccc(F)cn1)C1(CC1)[*:1]
CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1OC(F)(F)F FC(F)(F)[*:1] CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1O[*:1]
CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1[*:1]
CCCc1sc(C(=O)Nc2ccccc2N2CCOCC2)cc1CC CCC[*:1] CCc1cc(sc1[*:1])C(=O)Nc1ccccc1N1CCOCC1
CCCc1sc(C(=O)Nc2ccccc2N2CCOCC2)cc1CC C1CN(CCO1)[*:1] CCCc1sc(cc1CC)C(=O)Nc1ccccc1[*:1]
CC[C@@H]1CN(C(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)CC[NH2+]1 c1ccc(cc1)C[*:1] CC[C@@H]1CN(CC[NH2+]1)C(=O)c1coc(CN2CC[NH+](CC2)[*:1])n1
CC[C@@H]1CN(C(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)CC[NH2+]1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[NH2+]1)C(=O)c1coc(CN2CC[NH+](CC2)C[*:1])n1
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1nc2ccccc2o1 Clc1ccc(c(Cl)c1)[*:1] C[C@@H](O[*:1])C(=O)N[C@H](C)c1nc2ccccc2o1
O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CNc1cccc(Br)c1 Brc1cccc(c1)N[*:1] O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1C[*:1]
O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CNc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CN[*:1]
O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CNc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C1SC(=C[*:1])C(=O)N1CNc1cccc(Br)c1
O=C(c1nc(C2CC2)n2ccccc12)N1CC[C@@H](O)C1 C1CC1[*:1] O=C(c1nc(n2ccccc12)[*:1])N1CC[C@@H](O)C1
CC(C)(C)c1nc(CN(Cc2ccsc2)c2ccccc2)no1 CC(C)(C)[*:1] c1ccc(cc1)N(Cc1ccsc1)Cc1noc(n1)[*:1]
CC(C)(C)c1nc(CN(Cc2ccsc2)c2ccccc2)no1 c1cc(cs1)[*:1] CC(C)(C)c1nc(CN(C[*:1])c2ccccc2)no1
CC(C)(C)c1nc(CN(Cc2ccsc2)c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)(C)c1nc(CN(Cc2ccsc2)[*:1])no1
CC(C)(C)c1nc(CN(Cc2ccsc2)c2ccccc2)no1 c1cc(cs1)C[*:1] CC(C)(C)c1nc(CN(c2ccccc2)[*:1])no1
CCC[C@@H](O)[C@H]1CCOC2(CCCC2)C1 CCC[*:1] O[C@@H]([C@H]1CCOC2(CCCC2)C1)[*:1]
CCC[C@@H](O)[C@H]1CCOC2(CCCC2)C1 CCC[C@@H](O)[*:1] C1CCC2(C1)C[C@H](CCO2)[*:1]
O=C(Nc1ccc(Cl)nn1)c1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)nn1)c1coc(n1)[*:1]
O=C(Nc1ccc(Cl)nn1)c1coc(-c2ccccc2)n1 Clc1ccc(nn1)[*:1] O=C(N[*:1])c1coc(n1)-c1ccccc1
COc1ccccc1[C@H](N[C@H](C)c1ccc(C)s1)c1ccccn1 COc1ccccc1[*:1] Cc1ccc(s1)[C@@H](C)N[C@H](c1ccccn1)[*:1]
COc1ccccc1[C@H](N[C@H](C)c1ccc(C)s1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](N[C@H](C)c1ccc(C)s1)[*:1]
COc1ccccc1[C@H](N[C@H](C)c1ccc(C)s1)c1ccccn1 Cc1ccc(s1)[*:1] COc1ccccc1[C@H](N[C@H](C)[*:1])c1ccccn1
CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NCc1cccs1)CS2 c1csc(c1)C[*:1] CCc1c(C)nc2SC[C@H](Cn2c1=O)C(=O)N[*:1]
CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NCc1cccs1)CS2 c1csc(c1)[*:1] CCc1c(C)nc2SC[C@H](Cn2c1=O)C(=O)NC[*:1]
CCCn1c(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)nc2ccccc21 CCC[*:1] C[C@@H](c1ccc(cc1)[S@](C)=O)N(C)Cc1nc2ccccc2n1[*:1]
CCCn1c(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)nc2ccccc21 C[S@](=O)[*:1] CCCn1c(CN(C)[C@@H](C)c2ccc(cc2)[*:1])nc2ccccc21
CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 CC[C@H](C)NC(=O)[*:1] C1CCC2(CC1)C[C@H](CCO2)[NH2+]CC[*:1]
CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 CC[C@H](C)[*:1] O=C(CC[NH2+][C@H]1CCOC2(CCCCC2)C1)N[*:1]
C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 C1CCN(C1)[*:1] C[C@H]1C[C@H]1C(=O)N1CCC[C@@H](C1)c1nn(C)cc1-c1ccnc(n1)[*:1]
C[C@H]1CN(Cn2ncn(-c3cccc(Cl)c3)c2=S)[C@H](C)CO1 Clc1cccc(c1)[*:1] C[C@H]1CN(Cn2ncn(c2=S)[*:1])[C@H](C)CO1
CCc1nnsc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 CCc1nnsc1[*:1] O=C(NC1CCN(CC1)c1cccc[nH+]1)[*:1]
O=C(Cc1cc(-c2ccc(F)cc2)on1)Nc1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] O=C(Cc1cc(on1)-c1ccc(F)cc1)N[*:1]
O=C(Cc1cc(-c2ccc(F)cc2)on1)Nc1ccc(Br)cc1F Fc1ccc(cc1)[*:1] O=C(Cc1cc(on1)[*:1])Nc1ccc(Br)cc1F
CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)CC)cc1 CCS(=O)(=O)[*:1] CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(cc1)[*:1]
CC(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 CC(=O)NC(=S)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ccco1
CC(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] CC(=O)NC(=S)Nc1cccc(c1)NC(=O)[*:1]
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCC1([O-])CCC1 c1ccc(cc1)C[*:1] Cc1nnnn1[C@@H](C(=O)NCC1([O-])CCC1)[*:1]
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCC1([O-])CCC1 Cc1nnnn1[*:1] O=C(NCC1([O-])CCC1)[C@H](Cc1ccccc1)[*:1]
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCC1([O-])CCC1 c1ccc(cc1)[*:1] Cc1nnnn1[C@@H](C[*:1])C(=O)NCC1([O-])CCC1
Cn1c(SCc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] Cn1c(nnc1-c1cccc(c1)[N+](=O)[O-])S[*:1]
Cn1c(SCc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cn1c(nnc1-c1cccc(c1)[N+](=O)[O-])SC[*:1]
Cn1c(SCc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cn1c(nnc1-c1cccc(c1)[*:1])SCc1ccccc1
CSc1cccc(NC(=O)N[C@H](C)CCc2ccccc2)c1 c1ccc(cc1)C[*:1] CSc1cccc(c1)NC(=O)N[C@H](C)C[*:1]
CSc1cccc(NC(=O)N[C@H](C)CCc2ccccc2)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)N[C@H](C)CC[*:1]
C[C@H](C[C@@H](O)c1ccccc1)Nc1ncnc2nc(N)ccc12 c1ccc(cc1)[*:1] C[C@H](C[C@@H](O)[*:1])Nc1ncnc2nc(N)ccc12
Cn1c(Sc2ccccc2[N+](=O)[O-])nnc1-c1cccs1 O=[N+]([O-])[*:1] Cn1c(nnc1-c1cccs1)Sc1ccccc1[*:1]
Cn1c(Sc2ccccc2[N+](=O)[O-])nnc1-c1cccs1 c1csc(c1)[*:1] Cn1c(nnc1[*:1])Sc1ccccc1[N+](=O)[O-]
COc1cccc2c1OC[C@H](NC(=O)CCCc1c[nH]c3ccccc13)C2 c1ccc2c(c[nH]c2c1)[*:1] COc1cccc2C[C@H](COc21)NC(=O)CCC[*:1]
CCc1ccccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2C)CC1=O Cc1c(Cl)cccc1[*:1] CCc1ccccc1N1C[C@H](CC1=O)C(=O)N[*:1]
CCc1ccccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2C)CC1=O CCc1ccccc1[*:1] Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CNC(=O)c1c(NC(=O)c2nnn(Cc3ccccc3)c2C)sc2c1CCCC2 c1ccc(cc1)C[*:1] CNC(=O)c1c(NC(=O)c2nnn(c2C)[*:1])sc2CCCCc21
CNC(=O)c1c(NC(=O)c2nnn(Cc3ccccc3)c2C)sc2c1CCCC2 c1ccc(cc1)[*:1] CNC(=O)c1c(NC(=O)c2nnn(C[*:1])c2C)sc2CCCCc21
CNC(=O)c1c(NC(=O)c2nnn(Cc3ccccc3)c2C)sc2c1CCCC2 CNC(=O)[*:1] Cc1c(nnn1Cc1ccccc1)C(=O)Nc1sc2CCCCc2c1[*:1]
CC(C)CC[S@@](=O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl CC(C)[*:1] C[C@H](NC(=O)C[S@](=O)CC[*:1])c1ccc(Cl)cc1Cl
CC(C)CC[S@@](=O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl CC(C)C[*:1] C[C@H](NC(=O)C[S@](=O)C[*:1])c1ccc(Cl)cc1Cl
CC(C)CC[S@@](=O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl CC(C)CC[*:1] C[C@H](NC(=O)C[S@](=O)[*:1])c1ccc(Cl)cc1Cl
C#CCOc1ccc(F)cc1NC(=O)CNC(=O)OC C#CC[*:1] COC(=O)NCC(=O)Nc1cc(F)ccc1O[*:1]
C#CCOc1ccc(F)cc1NC(=O)CNC(=O)OC COC(=O)N[*:1] C#CCOc1ccc(F)cc1NC(=O)C[*:1]
C#CCOc1ccc(F)cc1NC(=O)CNC(=O)OC COC(=O)NC[*:1] C#CCOc1ccc(F)cc1NC(=O)[*:1]
C#CCOc1ccc(F)cc1NC(=O)CNC(=O)OC C#CCO[*:1] COC(=O)NCC(=O)Nc1cc(F)ccc1[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)C1(c2ccc(F)cc2F)CCCC1 CNC(=O)[*:1] C[C@H](CN(C)C(=O)C1(CCCC1)c1ccc(F)cc1F)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)C1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)C1(CCCC1)[*:1]
CC(=O)O[C@@H]1c2c(C)c(C)cc3c2[C@@]2(CC(C)(C)C[C@@]1(C)C2)C(=O)O3 CC(=O)O[*:1] Cc1cc2OC(=O)[C@@]34CC(C)(C)C[C@@](C)(C3)[C@@H](c(c1C)c24)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] CC[C@]1(NC(=O)N(Cc2cccc(c2)[*:1])C1=O)c1ccccc1
CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(Cc2cccc(c2)[N+](=O)[O-])C1=O)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] COc1ccc(cc1NC(=O)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)s1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1ccc(Cl)s1)[*:1]
O=[N+]([O-])c1ccc(N/N=C/c2ccccc2Cl)c(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=[N+]([O-])c1ccc(N/N=C/c2ccccc2Cl)c(c1)[*:1]
O=[N+]([O-])c1ccc(N/N=C/c2ccccc2Cl)c(S(=O)(=O)N2CCOCC2)c1 O=[N+]([O-])[*:1] O=S(=O)(c1cc(ccc1N/N=C/c1ccccc1Cl)[*:1])N1CCOCC1
O=[N+]([O-])c1ccc(N/N=C/c2ccccc2Cl)c(S(=O)(=O)N2CCOCC2)c1 Clc1ccccc1[*:1] O=[N+]([O-])c1ccc(NN=C[*:1])c(c1)S(=O)(=O)N1CCOCC1
c1cncc(-c2cn(C3CC[NH+](C4CCCCCCC4)CC3)nn2)c1 c1cncc(c1)[*:1] c1c(nnn1C1CC[NH+](CC1)C1CCCCCCC1)[*:1]
c1cncc(-c2cn(C3CC[NH+](C4CCCCCCC4)CC3)nn2)c1 C1CCCC(CCC1)[*:1] c1cncc(c1)-c1cn(nn1)C1CC[NH+](CC1)[*:1]
CC(=O)N[C@@H](CSCc1ccnc2ccccc12)C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H](CSCc1ccnc2ccccc12)[*:1]
CC(=O)N[C@@H](CSCc1ccnc2ccccc12)C(=O)[O-] CC(=O)N[*:1] O=C([O-])[C@H](CSCc1ccnc2ccccc12)[*:1]
O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1csc(c1)[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](c1cccs1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
FC(F)n1ccnc1CSC[C@@H]1C[C@H]2CC[C@@H]1C2 FC(F)[*:1] c1cn(c(CSC[C@@H]2C[C@H]3CC[C@@H]2C3)n1)[*:1]
Cc1nc(C2CC[NH+](CC(C)(C)S(C)(=O)=O)CC2)no1 Cc1nc(no1)[*:1] CC(C)(C[NH+]1CCC(CC1)[*:1])S(C)(=O)=O
Cc1nc(C2CC[NH+](CC(C)(C)S(C)(=O)=O)CC2)no1 CS(=O)(=O)[*:1] Cc1nc(no1)C1CC[NH+](CC1)CC(C)(C)[*:1]
N/C(=[NH+]/Cc1ccco1)SC/C=C/c1ccccc1 c1ccc(cc1)[*:1] N/C(=[NH+]/Cc1ccco1)SCC=C[*:1]
N/C(=[NH+]/Cc1ccco1)SC/C=C/c1ccccc1 c1coc(c1)[*:1] N/C(=[NH+]/C[*:1])SC/C=C/c1ccccc1
N/C(=[NH+]/Cc1ccco1)SC/C=C/c1ccccc1 c1coc(c1)C[*:1] NC(=[NH+][*:1])SC/C=C/c1ccccc1
CO[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 CO[C@@H](C)C(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCCCCC1
CO[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 CO[C@@H](C)[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCCCCC1
CC(=O)Nc1ccc(C(=O)OCc2cc(-c3ccc4c(c3)OCCO4)on2)cc1 CC(=O)N[*:1] O=C(OCc1cc(on1)-c1ccc2OCCOc2c1)c1ccc(cc1)[*:1]
O=C(NCc1ccc(Cl)cc1)c1ccc(CNc2c(O)c(=O)c2=[N+]2CCCCC2)cc1 Clc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(cc1)CNc1c(O)c(=O)c1=[N+]1CCCCC1
O=C(NCc1ccc(Cl)cc1)c1ccc(CNc2c(O)c(=O)c2=[N+]2CCCCC2)cc1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(cc1)CNc1c(O)c(=O)c1=[N+]1CCCCC1
CC(C)[C@H]1C[NH2+]CC[C@@]12CCC[C@H]2C CC(C)[*:1] C[C@@H]1CCC[C@@]12CC[NH2+]C[C@@H]2[*:1]
O[C@H]1CCC[C@H]1CNc1cc[nH+]c2ccc(Cl)cc12 O[C@H]1CCC[C@@H]1[*:1] Clc1ccc2[nH+]ccc(NC[*:1])c2c1
COc1ccc(NC(=O)COc2ccccc2C)cc1NC(=O)c1ccco1 Cc1ccccc1O[*:1] COc1ccc(cc1NC(=O)c1ccco1)NC(=O)C[*:1]
COc1ccc(NC(=O)COc2ccccc2C)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 COc1ccc(cc1[*:1])NC(=O)COc1ccccc1C
COc1ccc(NC(=O)COc2ccccc2C)cc1NC(=O)c1ccco1 Cc1ccccc1OC[*:1] COc1ccc(cc1NC(=O)c1ccco1)NC(=O)[*:1]
COc1ccc(NC(=O)COc2ccccc2C)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] COc1ccc(cc1NC(=O)[*:1])NC(=O)COc1ccccc1C
COc1ccc(NC(=O)COc2ccccc2C)cc1NC(=O)c1ccco1 Cc1ccccc1[*:1] COc1ccc(cc1NC(=O)c1ccco1)NC(=O)CO[*:1]
CCOC(=O)[C@H](C)N1CC[C@@H]([NH+](CC)CC)C1 CCOC(=O)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)[C@@H](C)[*:1]
Cc1ccc(-c2nc(C)c([C@@H](C)NC[C@H](O)c3ccncc3)s2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)-c1nc(C)c(s1)[C@@H](C)NC[C@H](O)[*:1]
Cc1ccc(-c2nc(C)c([C@@H](C)NC[C@H](O)c3ccncc3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(sc1[C@@H](C)NC[C@H](O)c1ccncc1)[*:1]
Cc1ccc(-c2nc(C)c([C@@H](C)NC[C@H](O)c3ccncc3)s2)cc1 O[C@H](c1ccncc1)[*:1] Cc1ccc(cc1)-c1nc(C)c(s1)[C@@H](C)NC[*:1]
CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1ccc(C)c(F)c1
CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccco1 Cc1ccc(cc1F)[*:1] CCn1c(nnc1-c1ccco1)S[C@H](C)C(=O)N[*:1]
CC[C@@H](C)N(CC)C(=O)c1cccc(C#N)c1 CC[C@@H](C)[*:1] CCN(C(=O)c1cccc(C#N)c1)[*:1]
O=c1ccc(=O)n2n1C[NH+](Cc1ccco1)C2 c1coc(c1)[*:1] O=c1ccc(=O)n2C[NH+](Cn12)C[*:1]
COc1ccccc1Oc1ncccc1CNC(=O)[C@H]([O-])C(F)(F)F FC(F)(F)[*:1] COc1ccccc1Oc1ncccc1CNC(=O)[C@H]([O-])[*:1]
COc1ccccc1Oc1ncccc1CNC(=O)[C@H]([O-])C(F)(F)F COc1ccccc1[*:1] O=C(NCc1cccnc1O[*:1])[C@H]([O-])C(F)(F)F
Cn1nnnc1SCC(=O)Nc1cc(Cl)ccc1-n1cccn1 Cn1nnnc1[*:1] O=C(CS[*:1])Nc1cc(Cl)ccc1-n1cccn1
Cn1nnnc1SCC(=O)Nc1cc(Cl)ccc1-n1cccn1 Cn1nnnc1S[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1-n1cccn1
Cn1nnnc1SCC(=O)Nc1cc(Cl)ccc1-n1cccn1 c1cnn(c1)[*:1] Cn1nnnc1SCC(=O)Nc1cc(Cl)ccc1[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CN1CCOC(C)(C)C1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CN1CCOC(C)(C)C1
Cc1nn(Cc2ccccc2)c(C)c1CN1CCOC(C)(C)C1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CN1CCOC(C)(C)C1)[*:1]
NC(=O)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)Nc1ncnc2scc(c12)[*:1]
NC(=O)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1 NC(=O)[*:1] c1ccc(cc1)-c1csc2ncnc(Nc3ccc(cc3)[*:1])c12
CCN(C(=O)c1cnn(C(C)C)c1C)[C@H](C)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCN(C(=O)c1cnn(c1C)C(C)C)[C@H](C)[*:1]
CCN(C(=O)c1cnn(C(C)C)c1C)[C@H](C)c1ccc(C#N)cc1 CC(C)[*:1] CCN(C(=O)c1cnn(c1C)[*:1])[C@H](C)c1ccc(C#N)cc1
CC[C@H](C)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 CC[C@H](C)[*:1] O=C(COC(=O)[*:1])Nc1ccc(cc1)C(F)(F)F
CC[C@H](C)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@H](C)C(=O)OCC(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 CC[C@H](C)C(=O)O[*:1] O=C(C[*:1])Nc1ccc(cc1)C(F)(F)F
O=C1Cc2ccc(Cl)cc2N1CCCCCS SCCCC[*:1] O=C1Cc2ccc(Cl)cc2N1C[*:1]
O=C1Cc2ccc(Cl)cc2N1CCCCCS SCC[*:1] O=C1Cc2ccc(Cl)cc2N1CCC[*:1]
O=C1Cc2ccc(Cl)cc2N1CCCCCS SCCC[*:1] O=C1Cc2ccc(Cl)cc2N1CC[*:1]
C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1nc2ccc(Cl)cc2n1C C1C[C@@H](CO1)O[*:1] C[C@@H]([NH2+]CCC[*:1])c1nc2ccc(Cl)cc2n1C
C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1nc2ccc(Cl)cc2n1C C1C[C@@H](CO1)OC[*:1] C[C@@H]([NH2+]CC[*:1])c1nc2ccc(Cl)cc2n1C
C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1nc2ccc(Cl)cc2n1C C1C[C@@H](CO1)[*:1] C[C@@H]([NH2+]CCCO[*:1])c1nc2ccc(Cl)cc2n1C
C[NH+](CCCC(C)(C)C[NH3+])C1CCC(C)(C)CC1 CC(C)(C[NH3+])C[*:1] C[NH+](CC[*:1])C1CCC(C)(C)CC1
C[NH+](CCCC(C)(C)C[NH3+])C1CCC(C)(C)CC1 CC(C)(C[NH3+])[*:1] C[NH+](CCC[*:1])C1CCC(C)(C)CC1
C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)[*:1]
C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)C1CCCC1 CS(=O)(=O)[*:1] C[C@H]([NH2+]CC(C)(C)[*:1])C1CCCC1
C[C@H](C#N)CNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 C[C@H](C#N)C[*:1] C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)N[*:1]
C[C@H](C#N)CNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 C[C@H](C#N)[*:1] C[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[*:1]
C[C@H](C#N)CNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](C#N)CNC(=O)[C@H](C)Cc1ccc(cc1)[*:1]
CN(C(=O)c1ccc2c(c1)C(=O)NC2=O)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)c1ccc2C(=O)NC(=O)c2c1)[*:1]
CN(Cc1cccc(F)c1)C(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 CN(Cc1cccc(F)c1)C(=O)CC[*:1]
CN(Cc1cccc(F)c1)C(=O)CCCn1ccnn1 c1cn(nn1)[*:1] CN(Cc1cccc(F)c1)C(=O)CCC[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(C)Cc1ccsc1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)N(C)Cc1ccsc1)[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(C)Cc1ccsc1 c1cc(cs1)C[*:1] C[C@@H]1[C@H](CCN1C(=O)N(C)[*:1])C(=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(C)Cc1ccsc1 c1cc(cs1)[*:1] C[C@@H]1[C@H](CCN1C(=O)N(C)C[*:1])C(=O)[O-]
O=C(OC[C@@H]1CCN(c2ccccc2)C1)c1scnc1C1CC1 c1ccc(cc1)[*:1] O=C(OC[C@@H]1CCN(C1)[*:1])c1scnc1C1CC1
O=C(OC[C@@H]1CCN(c2ccccc2)C1)c1scnc1C1CC1 C1CC1[*:1] O=C(OC[C@@H]1CCN(C1)c1ccccc1)c1scnc1[*:1]
CN(Cc1cnn(C)c1)C(=O)c1cc(F)ccc1O Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)c1cc(F)ccc1O
CC[C@H]1CCCCN1c1nc(CN2CCOCC2)nc2sc(C)c(C)c12 C1CN(CCO1)C[*:1] CC[C@H]1CCCCN1c1nc(nc2sc(C)c(C)c12)[*:1]
CC[C@H]1CCCCN1c1nc(CN2CCOCC2)nc2sc(C)c(C)c12 C1CN(CCO1)[*:1] CC[C@H]1CCCCN1c1nc(C[*:1])nc2sc(C)c(C)c12
CC[C@H]1CCCCN1c1nc(CN2CCOCC2)nc2sc(C)c(C)c12 CC[C@H]1CCCCN1[*:1] Cc1sc2nc(CN3CCOCC3)nc(c2c1C)[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCOC1 C1C[C@@H](CO1)C[*:1] CCN(Cc1ccc(Cl)s1)C(=O)N[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCOC1 Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)NC[C@H]1CCOC1
CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] CCN(Cc1ccc(Cl)s1)C(=O)NC[*:1]
COc1ccc2c(c1)C[C@@H](C(=O)NCCCc1nnc3ccccn13)CO2 c1ccn2c(nnc2c1)[*:1] COc1ccc2OC[C@@H](Cc2c1)C(=O)NCCC[*:1]
CC(C)(C)C(=O)Nc1cccc(C(=O)NOCc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(C)(C)C(=O)Nc1cccc(c1)C(=O)NO[*:1]
CC(C)(C)C(=O)Nc1cccc(C(=O)NOCc2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)Nc1cccc(c1)C(=O)NOC[*:1]
CC(C)(C)C(=O)Nc1cccc(C(=O)NOCc2ccccc2)c1 CC(C)(C)C(=O)N[*:1] O=C(NOCc1ccccc1)c1cccc(c1)[*:1]
CC(C)(C)C(=O)Nc1cccc(C(=O)NOCc2ccccc2)c1 CC(C)(C)[*:1] O=C(NOCc1ccccc1)c1cccc(c1)NC(=O)[*:1]
CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(C)cc2)CC1 Cc1ccc(cc1)O[*:1] CC(=O)N1CCN(CC1)c1ccccc1NC(=O)C[*:1]
CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(C)cc2)CC1 CC(=O)N1CCN(CC1)[*:1] Cc1ccc(cc1)OCC(=O)Nc1ccccc1[*:1]
CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(C)cc2)CC1 Cc1ccc(cc1)OC[*:1] CC(=O)N1CCN(CC1)c1ccccc1NC(=O)[*:1]
CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)c1ccccc1NC(=O)CO[*:1]
CCOC(=O)/C(C#N)=C/c1cccc(F)c1 CCOC(=O)[*:1] N#CC(=Cc1cccc(F)c1)[*:1]
C[C@@H](C(=O)N[C@H](c1cccs1)C1CCCC1)n1ccnc1 c1csc(c1)[*:1] C[C@@H](C(=O)N[C@H](C1CCCC1)[*:1])n1ccnc1
C[C@@H](C(=O)N[C@H](c1cccs1)C1CCCC1)n1ccnc1 C[C@@H](n1ccnc1)[*:1] O=C(N[C@H](c1cccs1)C1CCCC1)[*:1]
C[C@@H](C(=O)N[C@H](c1cccs1)C1CCCC1)n1ccnc1 c1cn(cn1)[*:1] C[C@@H](C(=O)N[C@H](c1cccs1)C1CCCC1)[*:1]
C[C@@H](C(=O)N[C@H](c1cccs1)C1CCCC1)n1ccnc1 C1CCC(C1)[*:1] C[C@@H](C(=O)N[C@H](c1cccs1)[*:1])n1ccnc1
COc1cc(F)c(S(=O)(=O)N(C)Cc2nccs2)cc1OC c1csc(C[*:1])n1 COc1cc(F)c(cc1OC)S(=O)(=O)N(C)[*:1]
COc1cc(F)c(S(=O)(=O)N(C)Cc2nccs2)cc1OC c1csc(n1)[*:1] COc1cc(F)c(cc1OC)S(=O)(=O)N(C)C[*:1]
C[C@]12CN(Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@@H]2[NH3+] c1ccc(cc1)[*:1] C[C@]12CN(C[C@@H]1NC(=O)c1ccccc1[C@@H]2[NH3+])C[*:1]
C[C@]12CN(Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@@H]2[NH3+] c1ccc(cc1)C[*:1] C[C@]12CN(C[C@@H]1NC(=O)c1ccccc1[C@@H]2[NH3+])[*:1]
CC[C@H]1CC[C@@H](c2noc(-c3cn(C4C[NH2+]C4)nn3)n2)C1 CC[C@H]1CC[C@@H](C1)[*:1] c1c(nnn1C1C[NH2+]C1)-c1nc(no1)[*:1]
C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3cccc(F)c3)cc2)C[C@@H](C)O1 Fc1cccc(c1)C[*:1] C[C@@H]1CN(Cc2ccc(cc2)C[NH2+][*:1])C[C@@H](C)O1
C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3cccc(F)c3)cc2)C[C@@H](C)O1 Fc1cccc(c1)[*:1] C[C@@H]1CN(Cc2ccc(cc2)C[NH2+]C[*:1])C[C@@H](C)O1
CCn1c(SCc2cn3cccc(C)c3n2)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCc1cn2cccc(C)c2n1
CCCCn1nc(C)c(C[NH+](C)Cc2cc(C)on2)c1Cl CCCC[*:1] Cc1cc(C[NH+](C)Cc2c(C)nn(c2Cl)[*:1])no1
CCCCn1nc(C)c(C[NH+](C)Cc2cc(C)on2)c1Cl Cc1cc(no1)[*:1] CCCCn1nc(C)c(C[NH+](C)C[*:1])c1Cl
CCCCn1nc(C)c(C[NH+](C)Cc2cc(C)on2)c1Cl Cc1cc(C[*:1])no1 CCCCn1nc(C)c(C[NH+](C)[*:1])c1Cl
CCCCn1nc(C)c(C[NH+](C)Cc2cc(C)on2)c1Cl CCC[*:1] Cc1cc(C[NH+](C)Cc2c(C)nn(C[*:1])c2Cl)no1
CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc2c(c1)OCC(=O)N2 CC[C@@H](C)C[*:1] C[C@@H](NC(=O)c1ccc2NC(=O)COc2c1)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc2c(c1)OCC(=O)N2 CC[C@@H](C)[*:1] C[C@H](C[*:1])NC(=O)c1ccc2NC(=O)COc2c1
CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(Br)n1 CN(C)C(=O)[*:1] O=C(c1cccc(Br)n1)N1CSC[C@H]1[*:1]
CCOc1ccc(CC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)CC(=O)N([C@@H]1C=CS(=O)(=O)C1)[*:1]
CCOc1ccc(CC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 CCOc1ccc(cc1)[*:1] O=C(C[*:1])N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1
CCOc1ccc(CC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1
CC(C)(O)CCc1cccc(C(=O)N(Cc2ccc(O)cc2)C2CC2)c1 CC(C)(O)[*:1] O=C(c1cccc(c1)CC[*:1])N(Cc1ccc(O)cc1)C1CC1
CC(C)(O)CCc1cccc(C(=O)N(Cc2ccc(O)cc2)C2CC2)c1 C1CC1[*:1] CC(C)(O)CCc1cccc(c1)C(=O)N(Cc1ccc(O)cc1)[*:1]
CC(C)(O)CCc1cccc(C(=O)N(Cc2ccc(O)cc2)C2CC2)c1 Oc1ccc(cc1)[*:1] CC(C)(O)CCc1cccc(c1)C(=O)N(C[*:1])C1CC1
CC(C)(O)CCc1cccc(C(=O)N(Cc2ccc(O)cc2)C2CC2)c1 Oc1ccc(cc1)C[*:1] CC(C)(O)CCc1cccc(c1)C(=O)N(C1CC1)[*:1]
CC(C)(O)CCc1cccc(C(=O)N(Cc2ccc(O)cc2)C2CC2)c1 CC(C)(O)CC[*:1] O=C(c1cccc(c1)[*:1])N(Cc1ccc(O)cc1)C1CC1
CC(C)(O)CCc1cccc(C(=O)N(Cc2ccc(O)cc2)C2CC2)c1 CC(C)(O)C[*:1] O=C(c1cccc(c1)C[*:1])N(Cc1ccc(O)cc1)C1CC1
Cc1cc(Cl)ccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] Cc1cc(Cl)ccc1NC(=O)c1cc(nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(Cl)ccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 Cc1cc(Cl)ccc1[*:1] Cc1nn(c2nc(cc(C(=O)N[*:1])c12)C1CC1)[C@H]1CCS(=O)(=O)C1
C=CCN1C(N)=[NH+]CC12CC[NH+](C)CC2 C=CC[*:1] C[NH+]1CCC2(CC1)C[NH+]=C(N)N2[*:1]
Cc1cc(C)cc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)c1 Cc1cc(C)cc(c1)[*:1] Cc1ccccc1Cn1cccc(C(=O)N[*:1])c1=O
Cc1cc(C)cc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)c1 Cc1ccccc1C[*:1] Cc1cc(C)cc(c1)NC(=O)c1cccn(c1=O)[*:1]
Cc1cc(C)cc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)c1 Cc1ccccc1[*:1] Cc1cc(C)cc(c1)NC(=O)c1cccn(C[*:1])c1=O
Cn1nc(-c2cccs2)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cn1nc(cc1C(=O)NCc1ccc(cc1)[*:1])-c1cccs1
Cn1nc(-c2cccs2)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 c1csc(c1)[*:1] Cn1nc(cc1C(=O)NCc1ccc(cc1)S(N)(=O)=O)[*:1]
Cn1nnnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 Cn1nnnc1[*:1] O=C(CS[*:1])Nc1ccc(Cl)c(Cl)c1
CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC CCNC(=O)CS[*:1] COc1ccc(OC)c(c1)-n1c(nc2ccccc2c1=O)[*:1]
CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC CCNC(=O)[*:1] COc1ccc(OC)c(c1)-n1c(nc2ccccc2c1=O)SC[*:1]
CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC CCNC(=O)C[*:1] COc1ccc(OC)c(c1)-n1c(nc2ccccc2c1=O)S[*:1]
COc1ccc(-c2noc(CCC(=O)Nc3ccccn3)n2)cc1OC c1ccc(nc1)[*:1] COc1ccc(cc1OC)-c1noc(CCC(=O)N[*:1])n1
CC(C)Oc1ccc(C(=O)NCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 CC(C)O[*:1] C[C@@H](NC(=O)CNC(=O)c1ccc(cc1)[*:1])c1nc2ccccc2[nH]1
CC(C)Oc1ccc(C(=O)NCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 CC(C)[*:1] C[C@@H](NC(=O)CNC(=O)c1ccc(cc1)O[*:1])c1nc2ccccc2[nH]1
CC(C)Oc1ccc(C(=O)NCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)Oc1ccc(cc1)C(=O)NCC(=O)N[C@H](C)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)Oc1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)Oc1cccc(c1)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)Oc1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)Oc1cccc(c1)O[*:1]
Cc1cccc(NC(=O)CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1C Cc1cccc(c1C)[*:1] O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCC(=O)N[*:1]
CC(C)[C@H](CO)NC(=O)c1ccc2nccnc2c1 CC(C)[C@H](CO)[*:1] O=C(N[*:1])c1ccc2nccnc2c1
CC(C)[C@H](CO)NC(=O)c1ccc2nccnc2c1 CC(C)[*:1] O=C(N[C@@H](CO)[*:1])c1ccc2nccnc2c1
O=C(NC[C@@H](O)C1CCOCC1)Nc1cc(F)ccc1F C1CC(CCO1)[*:1] O=C(NC[C@@H](O)[*:1])Nc1cc(F)ccc1F
CC[C@H](CCO)[NH2+][C@@H](c1ccccc1)C1CC1 OCC[*:1] CC[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)[*:1]
CC[C@H](CCO)[NH2+][C@@H](c1ccccc1)C1CC1 C1CC1[*:1] CC[C@H](CCO)[NH2+][C@@H](c1ccccc1)[*:1]
C=CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@H]1C=c2cc(F)ccc2=[NH+]1 C=CC[*:1] COc1ccc(cc1OC)CN(C(=O)[C@H]1C=c2cc(F)ccc2=[NH+]1)[*:1]
N#Cc1ccccc1N1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 N#Cc1ccccc1[*:1] O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCN(CC1)[*:1]
CO/N=C1\CCCc2c(C(=O)NN)sc(SC)c21 NNC(=O)[*:1] CO/N=C1\CCCc2c(sc(SC)c21)[*:1]
C[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)c1cccc(c1)Oc1ccccc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(-n2cncn2)cc1 c1ccc(cc1)O[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])c1ccc(cc1)-n1cncn1
C[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(-n2cncn2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccc(c1)O[*:1])c1ccc(cc1)-n1cncn1
O=C([O-])c1[nH]nc2c1CCC2 O=C([O-])[*:1] C1Cc2n[nH]c(c2C1)[*:1]
CC(C)(C)OC(=O)N[C@H](CCO)c1ccc(Cl)cc1 OCC[*:1] CC(C)(C)OC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CC(C)(C)OC(=O)N[C@H](CCO)c1ccc(Cl)cc1 CC(C)(C)[*:1] O=C(N[C@H](CCO)c1ccc(Cl)cc1)O[*:1]
CCn1ncnc1C[C@H](C[NH2+]C1CC1)c1ccccc1C C1CC1[*:1] CCn1ncnc1C[C@H](C[NH2+][*:1])c1ccccc1C
CCn1ncnc1C[C@H](C[NH2+]C1CC1)c1ccccc1C Cc1ccccc1[*:1] CCn1ncnc1C[C@H](C[NH2+]C1CC1)[*:1]
CCn1ncnc1C[C@H](C[NH2+]C1CC1)c1ccccc1C CCn1ncnc1[*:1] Cc1ccccc1[C@@H](C[NH2+]C1CC1)C[*:1]
O=C(N1CCC(Nc2nc3c(c(=O)[nH]2)CCC3)CC1)N1c2ccccc2Sc2ccccc21 O=c1[nH]c(nc2CCCc21)N[*:1] O=C(N1CCC(CC1)[*:1])N1c2ccccc2Sc2ccccc21
CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccn(C)c(=O)c1 Clc1ccccc1[*:1] CC(C)[C@@H](N(C)C(=O)c1ccn(C)c(=O)c1)[*:1]
CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccn(C)c(=O)c1 CC(C)[*:1] CN(C(=O)c1ccn(C)c(=O)c1)[C@H](c1ccccc1Cl)[*:1]
C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)c1ccc2SCC(=O)Nc2c1)[*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@H](SC2CCCCC2)C1 CC(C)[*:1] O=C([O-])[C@@]1(CCC[C@@H](C1)SC1CCCCC1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@H](SC2CCCCC2)C1 O=C([O-])[*:1] CC(C)[NH2+][C@]1(CCC[C@@H](C1)SC1CCCCC1)[*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@H](SC2CCCCC2)C1 C1CCC(CC1)[*:1] CC(C)[NH2+][C@]1(CCC[C@@H](C1)S[*:1])C(=O)[O-]
COC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C1 C1CC1c1noc(n1)[*:1] COC(=O)N1CCC[C@@H](C1)NC(=O)c1ccc(cc1)[*:1]
COC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C1 C1CC1[*:1] COC(=O)N1CCC[C@@H](C1)NC(=O)c1ccc(cc1)-c1nc(no1)[*:1]
CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1cccc(F)c1 CNS(=O)(=O)[*:1] O=C(Cc1cccc(F)c1)N1CCc2cc(ccc21)[*:1]
CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[*:1]
CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 CC(C)[*:1] N#C[C@@H](N1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)C[*:1]
CC[C@H](Oc1ccccc1F)C(=O)Nc1cncc(C)c1 Fc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)Nc1cncc(C)c1
CC[C@H](Oc1ccccc1F)C(=O)Nc1cncc(C)c1 Cc1cncc(c1)[*:1] CC[C@H](Oc1ccccc1F)C(=O)N[*:1]
CS(=O)(=O)c1cccc(NC(=O)CNc2ccccc2C(N)=O)c1 CS(=O)(=O)[*:1] NC(=O)c1ccccc1NCC(=O)Nc1cccc(c1)[*:1]
CS(=O)(=O)c1cccc(NC(=O)CNc2ccccc2C(N)=O)c1 NC(=O)[*:1] CS(=O)(=O)c1cccc(c1)NC(=O)CNc1ccccc1[*:1]
C[C@H](Nc1cc(Br)ccc1Br)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](Nc1cc(Br)ccc1Br)[*:1]
CC(=O)N1CCc2cc(C(=O)NC[C@@H]3CCOC3)ccc21 C1C[C@H](CO1)C[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N[*:1]
CC(=O)N1CCc2cc(C(=O)NC[C@@H]3CCOC3)ccc21 C1C[C@H](CO1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)NC[*:1]
O=C(CSCc1c(Cl)cccc1Cl)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CSCc1c(Cl)cccc1Cl)N[*:1]
CCOCCCC(=O)Nc1cc(NC(C)=O)ccc1F CC(=O)N[*:1] CCOCCCC(=O)Nc1cc(ccc1F)[*:1]
CCOCCCC(=O)Nc1cc(NC(C)=O)ccc1F CCOCC[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)C[*:1]
CCOCCCC(=O)Nc1cc(NC(C)=O)ccc1F CCOC[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)CC[*:1]
CCOCCCC(=O)Nc1cc(NC(C)=O)ccc1F CCO[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)CCC[*:1]
CCOCCCC(=O)Nc1cc(NC(C)=O)ccc1F CCOCCC[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)[*:1]
Cn1cccc(C(=O)N2CCC(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)c1=O Fc1ccc(cc1)[*:1] Cn1cccc(C(=O)N2CCC(CC2)CNC(=O)[C@@H]2CC(=O)N(C2)[*:1])c1=O
Cn1cccc(C(=O)N2CCC(CNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)c1=O Cn1cccc(c1=O)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
Cc1cc(C)cc(-n2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)c1 Cc1cc(C)cc(c1)[*:1] O=c1c2cnc3nc(nn3c2ccn1[*:1])C(F)(F)F
Cc1cc(C)cc(-n2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)c1 FC(F)(F)[*:1] Cc1cc(C)cc(c1)-n1ccc2c(cnc3nc(nn32)[*:1])c1=O
C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl
C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)N[*:1]
C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl O=C(Nc1ccccc1Cl)[*:1] C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1C[*:1]
C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl O=C(N[*:1])c1ccccc1 C[C@@H](c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl)[*:1]
CCCn1c(=O)c2sccc2n2c(SCc3ccc(Br)cc3)nnc12 Brc1ccc(cc1)[*:1] CCCn1c(=O)c2sccc2n2c(nnc12)SC[*:1]
CCCn1c(=O)c2sccc2n2c(SCc3ccc(Br)cc3)nnc12 CCC[*:1] O=c1c2sccc2n2c(nnc2n1[*:1])SCc1ccc(Br)cc1
CCCn1c(=O)c2sccc2n2c(SCc3ccc(Br)cc3)nnc12 Brc1ccc(cc1)C[*:1] CCCn1c(=O)c2sccc2n2c(nnc12)S[*:1]
Cc1c(C=O)cnc2c1NC(=O)c1cccnc1N2C1CC1 C1CC1[*:1] Cc1c(C=O)cnc2c1NC(=O)c1cccnc1N2[*:1]
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc2ccc(F)cn2n1 CCC[*:1] O=C(Cc1ccccc1)N[C@@H](C(=O)Nc1nc2ccc(F)cn2n1)[*:1]
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc2ccc(F)cn2n1 c1ccc(cc1)C[*:1] CCC[C@@H](NC(=O)[*:1])C(=O)Nc1nc2ccc(F)cn2n1
CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc2ccc(F)cn2n1 c1ccc(cc1)[*:1] CCC[C@@H](NC(=O)C[*:1])C(=O)Nc1nc2ccc(F)cn2n1
O=C(Nc1nc[nH]n1)c1ccccc1OCc1cscn1 c1nc(cs1)[*:1] O=C(Nc1nc[nH]n1)c1ccccc1OC[*:1]
O=C(Nc1nc[nH]n1)c1ccccc1OCc1cscn1 c1nc(cs1)CO[*:1] O=C(Nc1nc[nH]n1)c1ccccc1[*:1]
O=C(Nc1nc[nH]n1)c1ccccc1OCc1cscn1 c1nc(cs1)C[*:1] O=C(Nc1nc[nH]n1)c1ccccc1O[*:1]
C[C@H]1COC[C@@H](C)N1Cc1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H]1COC[C@@H](C)N1Cc1noc(C[*:1])n1
C[C@H]1COC[C@@H](C)N1Cc1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H]1COC[C@@H](C)N1Cc1noc(n1)[*:1]
O[C@H](CNCc1cc(Br)ccc1F)c1cccs1 c1csc(c1)[*:1] O[C@H](CNCc1cc(Br)ccc1F)[*:1]
C[C@@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccccn1 C[S@](=O)[*:1] C[C@@H]([NH2+]C[C@@H](C)[*:1])c1ccccn1
COC(=O)C[C@H](NC(=O)N[C@H]1CCCC1(C)C)C(=O)[O-] COC(=O)C[*:1] CC1(C)CCC[C@@H]1NC(=O)N[C@H](C(=O)[O-])[*:1]
COC(=O)C[C@H](NC(=O)N[C@H]1CCCC1(C)C)C(=O)[O-] O=C([O-])[*:1] COC(=O)C[C@H](NC(=O)N[C@H]1CCCC1(C)C)[*:1]
COC(=O)C[C@H](NC(=O)N[C@H]1CCCC1(C)C)C(=O)[O-] COC(=O)[*:1] CC1(C)CCC[C@@H]1NC(=O)N[C@@H](C[*:1])C(=O)[O-]
O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C([C@@H]1CC(=O)N(C1)[C@H]1CCS(=O)(=O)C1)N1CCN(CC1)[*:1]
O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(Cc2cccs2)CC1 O=S1(=O)CC[C@@H](C1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)Cc1cccs1
O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)[C@H]1CCS(=O)(=O)C1)N1CCN(CC1)C[*:1]
Cc1nc(Br)ccc1NC(=O)/C=C/C1CC1 C1CC1[*:1] Cc1nc(Br)ccc1NC(=O)C=C[*:1]
Cc1nc(Br)ccc1NC(=O)/C=C/C1CC1 C(=C[*:1])C1CC1 Cc1nc(Br)ccc1NC(=O)[*:1]
COc1ccc([C@@H](CNC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)[*:1])N1CC[NH+](C)CC1
COc1ccc([C@@H](CNC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 COc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)c1ccccc1)[*:1]
Cn1cc(/C=C(/C#N)C(=O)Nc2nccs2)c(-c2cc3ccccc3o2)n1 O=C(Nc1nccs1)[*:1] Cn1cc(C=C(C#N)[*:1])c(n1)-c1cc2ccccc2o1
Cn1cc(/C=C(/C#N)C(=O)Nc2nccs2)c(-c2cc3ccccc3o2)n1 c1csc(n1)[*:1] Cn1cc(/C=C(/C#N)C(=O)N[*:1])c(n1)-c1cc2ccccc2o1
Cn1cc(/C=C(/C#N)C(=O)Nc2nccs2)c(-c2cc3ccccc3o2)n1 c1ccc2oc(cc2c1)[*:1] Cn1cc(/C=C(/C#N)C(=O)Nc2nccs2)c(n1)[*:1]
C[C@@H]1C[C@@H]1n1c(CCCl)nc2cc(Br)cnc21 ClCC[*:1] C[C@@H]1C[C@@H]1n1c(nc2cc(Br)cnc21)[*:1]
O=S(=O)(NCc1ccccc1Cl)c1cccc2nsnc12 Clc1ccccc1[*:1] O=S(=O)(NC[*:1])c1cccc2nsnc12
O=C(Nc1nc(C2CC2)cs1)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 C1CC1[*:1] O=C(Nc1nc(cs1)[*:1])N[C@@H]1C=C[C@H](C1)C(=O)[O-]
O=C(Nc1nc(C2CC2)cs1)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(Nc1nc(cs1)C1CC1)N[C@@H]1C=C[C@@H](C1)[*:1]
COc1cc(C[NH2+]CCn2ccnc2)cc2c1OCO2 c1cn(cn1)C[*:1] COc1cc(cc2OCOc12)C[NH2+]C[*:1]
COc1cc(C[NH2+]CCn2ccnc2)cc2c1OCO2 c1cn(cn1)[*:1] COc1cc(cc2OCOc12)C[NH2+]CC[*:1]
O=[N+]([O-])c1cc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)ccc1N1CCOCC1 Oc1ccc(cc1)N[*:1] O=[N+]([O-])c1cc(ccc1N1CCOCC1)-c1nnc(c2ccccc12)[*:1]
O=[N+]([O-])c1cc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)ccc1N1CCOCC1 O=[N+]([O-])[*:1] Oc1ccc(cc1)Nc1nnc(-c2ccc(c(c2)[*:1])N2CCOCC2)c2ccccc12
O=[N+]([O-])c1cc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)ccc1N1CCOCC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1cc(ccc1[*:1])-c1nnc(Nc2ccc(O)cc2)c2ccccc12
O=[N+]([O-])c1cc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)ccc1N1CCOCC1 Oc1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1N1CCOCC1)-c1nnc(N[*:1])c2ccccc12
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(=O)[O-])c2)cc1 O=C([O-])c1cccc(c1)[*:1] COc1ccc(cc1)[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(=O)[O-])c2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C(C(=O)[*:1])=C(O)C(=O)N1c1cccc(c1)C(=O)[O-]
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(=O)[O-])c2)cc1 O=C(c1ccc(Cl)cc1)[*:1] COc1ccc(cc1)[C@H]1C(=C(O)C(=O)N1c1cccc(c1)C(=O)[O-])[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(=O)[O-])c2)cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cccc(c1)[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(=O)[O-])c2)cc1 COc1ccc(cc1)[*:1] O=C([O-])c1cccc(c1)N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1[*:1]
CN(CC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1)C(=O)OC(C)(C)C CN(C(=O)OC(C)(C)C)[*:1] c1cc(ncc1C[NH+]1CCC(CC1)C[*:1])N1CCCC1
CN(CC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1)C(=O)OC(C)(C)C C1CCN(C1)[*:1] CN(CC1CC[NH+](CC1)Cc1ccc(nc1)[*:1])C(=O)OC(C)(C)C
CN(CC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(CC1CC[NH+](CC1)Cc1ccc(nc1)N1CCCC1)C(=O)O[*:1]
Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cccs2)c1C Cc1cccc(c1C)[*:1] O=C(CO[*:1])NNC(=S)NC(=O)c1cccs1
Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2cccs2)c1C c1csc(c1)[*:1] Cc1cccc(OCC(=O)NNC(=S)NC(=O)[*:1])c1C
CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 CC(C)[*:1] C[C@H](C[*:1])[NH2+][C@H](C)c1ccc(cc1)-n1cnnn1
CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(cc1)[*:1]
CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 CC(C)C[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1ccc(cc1)-n1cnnn1
Cc1ccccc1O[C@H](C)C(=O)Nc1sc(C)c(C)c1C(N)=O NC(=O)[*:1] Cc1ccccc1O[C@H](C)C(=O)Nc1sc(C)c(C)c1[*:1]
Cc1ccccc1O[C@H](C)C(=O)Nc1sc(C)c(C)c1C(N)=O Cc1ccccc1[*:1] Cc1sc(NC(=O)[C@@H](C)O[*:1])c(C(N)=O)c1C
COc1ccc(CN(C)C(=O)c2cccnc2)c(OC)c1 c1cncc(c1)[*:1] COc1ccc(CN(C)C(=O)[*:1])c(c1)OC
Cc1cc(N2CCC(O)CC2)nc([C@H]2CCCN2C)[nH+]1 CN1CCC[C@@H]1[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCC(O)CC1
CCOC(=O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O O=[N+]([O-])[*:1] CCOC(=O)CNC(=O)c1cc2cc(ccc2oc1=O)[*:1]
CCOC(=O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O CCOC(=O)C[*:1] O=C(N[*:1])c1cc2cc(ccc2oc1=O)[N+](=O)[O-]
CCOC(=O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O CCOC(=O)[*:1] O=C(NC[*:1])c1cc2cc(ccc2oc1=O)[N+](=O)[O-]
C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H](C)O1 N#Cc1ccccc1[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)OC[*:1]
Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccc5nonc45)C3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)c1cccc2nonc12)N1CCN(CC1)[*:1]
Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccc5nonc45)C3)CC2)c1 c1cc(c2nonc2c1)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CC[C@H](C)[C@](C)(O)CNc1ccc(-c2nc(C)cc(=O)[nH]2)c[nH+]1 CC[C@H](C)[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(NC[C@](C)(O)[*:1])[nH+]c1
Cc1cc(C)n(-c2ccc(NCC(C)(C)NC(=O)OC(C)(C)C)nn2)n1 CC(C)(C)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)NCC(C)(C)NC(=O)O[*:1]
Cc1cc(C)n(-c2ccc(NCC(C)(C)NC(=O)OC(C)(C)C)nn2)n1 CC(C)(C)OC(=O)N[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)NCC(C)(C)[*:1]
Cc1cc(C)n(-c2ccc(NCC(C)(C)NC(=O)OC(C)(C)C)nn2)n1 Cc1cc(C)n(n1)[*:1] CC(C)(CNc1ccc(nn1)[*:1])NC(=O)OC(C)(C)C
Cc1occc1C(=O)NCC(=O)NC[C@H]1C[C@]12CCc1ccccc12 Cc1occc1[*:1] O=C(CNC(=O)[*:1])NC[C@H]1C[C@]12CCc1ccccc12
COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OC FC(F)(F)[*:1] COc1ccc(/C=N/Nc2ccc(cn2)[*:1])cc1OC
C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccnc(OCc3ccccc3)c2)C1 c1ccc(cc1)CO[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1ccnc(c1)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccnc(OCc3ccccc3)c2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1ccnc(c1)O[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccnc(OCc3ccccc3)c2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1ccnc(c1)OC[*:1]
CC[C@H](NC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)N1C[C@@H](OC[C@@H]1C)c1ccccc1C)[*:1]
CC[C@H](NC(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C)c1ccncc1 Cc1ccccc1[*:1] CC[C@H](NC(=O)N1C[C@H](OC[C@@H]1C)[*:1])c1ccncc1
CN(Cc1ccc(Br)o1)C[C@@H](O)c1ccc(F)cc1F Brc1ccc(o1)[*:1] CN(C[C@@H](O)c1ccc(F)cc1F)C[*:1]
C=CCn1c(COc2ccc(Cl)cc2)nc2ccccc21 C=CC[*:1] Clc1ccc(cc1)OCc1nc2ccccc2n1[*:1]
C=CCn1c(COc2ccc(Cl)cc2)nc2ccccc21 Clc1ccc(cc1)[*:1] C=CCn1c(CO[*:1])nc2ccccc21
Cc1ccc(CNC(=O)c2cncc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 Cc1ccc(cc1)C[*:1] CN(c1cncc(c1)C(=O)N[*:1])S(=O)(=O)c1ccccc1
Cc1ccc(CNC(=O)c2cncc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 Cc1ccc(cc1)[*:1] CN(c1cncc(c1)C(=O)NC[*:1])S(=O)(=O)c1ccccc1
Cc1ccc(CNC(=O)c2cncc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)c1cncc(c1)N(C)S(=O)(=O)[*:1]
CCn1cc(NC(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)cn1 CCn1cc(cn1)[*:1] CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N[*:1]
CCOc1ncccc1C(=O)Nc1ccc(C)cc1C CCO[*:1] Cc1ccc(NC(=O)c2cccnc2[*:1])c(C)c1
CCCOCC(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] CCCOCC(=O)Nc1ccccc1[*:1]
CCCOCC(=O)Nc1ccccc1-c1ccccc1 CCCO[*:1] O=C(C[*:1])Nc1ccccc1-c1ccccc1
CCCOCC(=O)Nc1ccccc1-c1ccccc1 CCCOC[*:1] O=C(Nc1ccccc1-c1ccccc1)[*:1]
CCCOCC(=O)Nc1ccccc1-c1ccccc1 CCC[*:1] O=C(CO[*:1])Nc1ccccc1-c1ccccc1
NC(=O)CONC(=O)c1cc(-c2ccc(F)cc2)on1 NC(=O)[*:1] O=C(NOC[*:1])c1cc(on1)-c1ccc(F)cc1
NC(=O)CONC(=O)c1cc(-c2ccc(F)cc2)on1 NC(=O)C[*:1] O=C(NO[*:1])c1cc(on1)-c1ccc(F)cc1
CCc1ccc([C@@H](CO)NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 c1coc(c1)C[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCc1ccc([C@@H](CO)NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCc1ccc([C@@H](CO)NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 CCc1ccc(cc1)[*:1] O=C(N[C@H](CO)[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)c1ccccc1NC(=S)NC(=O)[*:1]
NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(F)cc1 NC(=O)[*:1] O=C(NC(=S)Nc1ccccc1[*:1])c1ccc(F)cc1
CC(C)c1cccc(NC(=O)Cn2cc(C#N)c3ccccc32)c1 CC(C)[*:1] N#Cc1cn(CC(=O)Nc2cccc(c2)[*:1])c2ccccc12
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)[*:1]
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1[N+](=O)[O-] c1ccc2[nH]c(nc2c1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1[N+](=O)[O-]
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)c1ccccc1[*:1]
CCS[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCS[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)C[*:1]
CCS[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCS[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)[*:1]
CCS[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1 CCS[*:1] O=C(Cc1ccc(F)cc1)NNC(=O)N[C@H]1CCCC[C@H]1[*:1]
COc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)C(=O)Nc1nnc(s1)[*:1]
C[C@](Nc1ccccc1)(C(=O)N1CCn2c[nH+]cc2C1)c1ccccc1 c1ccc(cc1)N[*:1] C[C@](C(=O)N1CCn2c[nH+]cc2C1)(c1ccccc1)[*:1]
C[C@](Nc1ccccc1)(C(=O)N1CCn2c[nH+]cc2C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@](N[*:1])(C(=O)N1CCn2c[nH+]cc2C1)c1ccccc1
C[C@](Nc1ccccc1)(C(=O)N1CCn2c[nH+]cc2C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@](Nc1ccccc1)(C(=O)N1CCn2c[nH+]cc2C1)[*:1]
COc1ccc(CCNC(=O)NC[C@H](O)c2cccn2C)cc1 Cn1cccc1[*:1] COc1ccc(cc1)CCNC(=O)NC[C@H](O)[*:1]
CNC(=O)Nc1ccc(NC(=O)c2nc(SC)n3ccccc23)cc1 CNC(=O)N[*:1] CSc1nc(C(=O)Nc2ccc(cc2)[*:1])c2ccccn12
N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccc(Oc3ccccc3)cc2)c1=O c1ccc(cc1)[*:1] N#Cc1cc(cn(-c2ccc(cc2)O[*:1])c1=O)C(=O)c1cc(Cl)ccc1O
N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccc(Oc3ccccc3)cc2)c1=O Oc1ccc(Cl)cc1[*:1] N#Cc1cc(cn(-c2ccc(cc2)Oc2ccccc2)c1=O)C(=O)[*:1]
N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccc(Oc3ccccc3)cc2)c1=O c1ccc(cc1)O[*:1] N#Cc1cc(cn(-c2ccc(cc2)[*:1])c1=O)C(=O)c1cc(Cl)ccc1O
N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccc(Oc3ccccc3)cc2)c1=O O=C(c1cc(Cl)ccc1O)[*:1] N#Cc1cc(cn(-c2ccc(cc2)Oc2ccccc2)c1=O)[*:1]
CC(C)CCNC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 CC(C)[*:1] O=C(NCC[*:1])NCc1ccc2CCN(C(=O)c3ccccc3)c2c1
CC(C)CCNC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 CC(C)CC[*:1] O=C(NCc1ccc2CCN(C(=O)c3ccccc3)c2c1)N[*:1]
CC(C)CCNC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 c1ccc(cc1)[*:1] CC(C)CCNC(=O)NCc1ccc2CCN(C(=O)[*:1])c2c1
CC(C)CCNC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 CC(C)C[*:1] O=C(NCc1ccc2CCN(C(=O)c3ccccc3)c2c1)NC[*:1]
CC(C)CCNC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 CC(C)CCNC(=O)N[*:1] O=C(c1ccccc1)N1CCc2ccc(cc21)C[*:1]
O=C(c1cc(-c2ccccc2)on1)N1CC(c2nc(-c3ccncc3)no2)C1 c1ccc(cc1)[*:1] O=C(c1cc(on1)[*:1])N1CC(C1)c1nc(no1)-c1ccncc1
O=C(c1cc(-c2ccccc2)on1)N1CC(c2nc(-c3ccncc3)no2)C1 c1cc(ccn1)[*:1] O=C(c1cc(on1)-c1ccccc1)N1CC(C1)c1nc(no1)[*:1]
CN(C)c1ccc(-c2nnc3sc(-c4cccnc4)nn23)cc1 c1cncc(c1)[*:1] CN(C)c1ccc(cc1)-c1nnc2sc(nn12)[*:1]
CN(C)c1ccc(-c2nnc3sc(-c4cccnc4)nn23)cc1 CN(C)[*:1] c1cncc(c1)-c1nn2c(nnc2s1)-c1ccc(cc1)[*:1]
CC(C)c1nccc(Sc2nc(-c3ccncc3)n[nH]2)n1 CC(C)[*:1] c1cc(ccn1)-c1n[nH]c(n1)Sc1ccnc(n1)[*:1]
CC(C)c1nccc(Sc2nc(-c3ccncc3)n[nH]2)n1 c1cc(ccn1)[*:1] CC(C)c1nccc(n1)Sc1nc(n[nH]1)[*:1]
Cc1ccc(NC(=O)c2ccc(CO)cc2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccc(cc1)CO
Cc1ccc(NC(=O)c2ccc(CO)cc2)cc1S(=O)(=O)N(C)C OCc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)[*:1]
CCCNC(=O)CN1CCC[NH+](CC(=O)N2CCCC2)CC1 CCCNC(=O)C[*:1] O=C(C[NH+]1CCCN(CC1)[*:1])N1CCCC1
CCCNC(=O)CN1CCC[NH+](CC(=O)N2CCCC2)CC1 CCCNC(=O)[*:1] O=C(C[NH+]1CCCN(CC1)C[*:1])N1CCCC1
CCCNC(=O)CN1CCC[NH+](CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CCCNC(=O)CN1CCC[NH+](CC1)C[*:1]
CCCNC(=O)CN1CCC[NH+](CC(=O)N2CCCC2)CC1 CCC[*:1] O=C(CN1CCC[NH+](CC1)CC(=O)N1CCCC1)N[*:1]
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccs2)NC(=O)N1C Fc1ccc(cc1)[*:1] CC1=C(C(=O)N[*:1])[C@H](NC(=O)N1C)c1cccs1
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccs2)NC(=O)N1C c1csc(c1)[*:1] CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](NC(=O)N1C)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)NCCNC(=O)c1cccnc1 Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)NCCNC(=O)c1cccnc1
CN(Cc1cccc(Cl)c1)C(=O)NCCNC(=O)c1cccnc1 Clc1cccc(c1)C[*:1] CN(C(=O)NCCNC(=O)c1cccnc1)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)NCCNC(=O)c1cccnc1 c1cncc(c1)[*:1] CN(Cc1cccc(Cl)c1)C(=O)NCCNC(=O)[*:1]
CCC[C@H]1C[NH2+]CC[C@H]1c1c[nH+]cn1C CCC[*:1] Cn1c[nH+]cc1[C@@H]1CC[NH2+]C[C@@H]1[*:1]
CC(C)[C@H]([NH2+]Cc1cccc(CO)c1)c1ccccc1Cl CC(C)[*:1] OCc1cccc(c1)C[NH2+][C@H](c1ccccc1Cl)[*:1]
CC(C)[C@H]([NH2+]Cc1cccc(CO)c1)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)[C@H]([NH2+]Cc1cccc(c1)CO)[*:1]
CC(=O)c1sc(-c2ccc(Br)c(C)c2)nc1C CC(=O)[*:1] Cc1cc(ccc1Br)-c1nc(C)c(s1)[*:1]
CC(C)OC[C@H](O)CC1(C(=O)[O-])CCCCC1 CC(C)[*:1] O=C([O-])C1(CCCCC1)C[C@@H](O)CO[*:1]
CC(C)OC[C@H](O)CC1(C(=O)[O-])CCCCC1 CC(C)O[*:1] O=C([O-])C1(CCCCC1)C[C@@H](O)C[*:1]
CC(C)OC[C@H](O)CC1(C(=O)[O-])CCCCC1 CC(C)OC[*:1] O=C([O-])C1(CCCCC1)C[C@@H](O)[*:1]
CC(C)OC[C@H](O)CC1(C(=O)[O-])CCCCC1 O=C([O-])[*:1] CC(C)OC[C@H](O)CC1(CCCCC1)[*:1]
CN(Cc1cccc(O)c1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] CN(Cc1cccc(O)c1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CN(Cc1cccc(O)c1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] CN(Cc1cccc(O)c1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CN(Cc1cccc(O)c1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 Oc1cccc(c1)C[*:1] CN(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[*:1]
CN(Cc1cccc(O)c1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 Oc1cccc(c1)[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
CC(C)[NH+]1[C@H](c2ccccc2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)[NH+]1[C@H](c2ccccc2)[C@@H]1[*:1]
CC(C)[NH+]1[C@H](c2ccccc2)[C@H]1c1ccccc1 CC(C)[*:1] c1ccc(cc1)[C@@H]1[C@@H](c2ccccc2)[NH+]1[*:1]
CCOCc1ccccc1NC(=O)NCc1cccc([N+](=O)[O-])c1 CCO[*:1] O=C(NCc1cccc(c1)[N+](=O)[O-])Nc1ccccc1C[*:1]
CCOCc1ccccc1NC(=O)NCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOCc1ccccc1NC(=O)NCc1cccc(c1)[*:1]
CCOCc1ccccc1NC(=O)NCc1cccc([N+](=O)[O-])c1 CCOC[*:1] O=C(NCc1cccc(c1)[N+](=O)[O-])Nc1ccccc1[*:1]
CCc1ccsc1CNC(=O)Cn1cnc2c(C)cccc2c1=O CCc1ccsc1C[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N[*:1]
CCc1ccsc1CNC(=O)Cn1cnc2c(C)cccc2c1=O CCc1ccsc1[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)NC[*:1]
O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc(=O)[nH]n1 O=c1ccc(n[nH]1)[*:1] O=C(Nc1ccc(cc1)Cc1nc2ccccc2s1)[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1O[C@H](n2cc(F)c(N)nc2=O)CS1 CC(C)[*:1] C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]1O[C@@H](CS1)n1cc(F)c(N)nc1=O)[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1O[C@H](n2cc(F)c(N)nc2=O)CS1 Nc1nc(=O)n(cc1F)[*:1] CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1O[C@H](CS1)[*:1]
CC(=O)N1CCCN(C(=O)c2nc(C3CC3)nc3c2OCCO3)CC1 C1CC1[*:1] CC(=O)N1CCCN(CC1)C(=O)c1nc(nc2OCCOc21)[*:1]
COc1ccc(CNC(=O)[C@@H]2C=C(c3ccc(Cl)cc3)N=N2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)[C@@H]1C=C(N=N1)[*:1]
COc1ccc(CNC(=O)[C@@H]2C=C(c3ccc(Cl)cc3)N=N2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1C=C(N=N1)c1ccc(Cl)cc1
O=C(/C=C/c1ccc2ccccc2n1)N1CCCC[C@H]1c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(/C=C/c1ccc2ccccc2n1)N1CCCC[C@@H]1[*:1]
CC(C)(C)OC(=O)N1CCN(N[C@@H](C(=O)[O-])c2ccccc2Cl)CC1 CC(C)(C)[*:1] O=C([O-])[C@H](NN1CCN(CC1)C(=O)O[*:1])c1ccccc1Cl
CC(C)(C)OC(=O)N1CCN(N[C@@H](C(=O)[O-])c2ccccc2Cl)CC1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCN(CC1)N[C@@H](c1ccccc1Cl)[*:1]
CC(C)(C)OC(=O)N1CCN(N[C@@H](C(=O)[O-])c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC(C)(C)OC(=O)N1CCN(CC1)N[C@@H](C(=O)[O-])[*:1]
Cc1cnn(CC(=O)N2CCC[C@@]2(C)C(=O)N2CCOCC2)c1 Cc1cnn(c1)[*:1] C[C@]1(CCCN1C(=O)C[*:1])C(=O)N1CCOCC1
Cc1cnn(CC(=O)N2CCC[C@@]2(C)C(=O)N2CCOCC2)c1 Cc1cnn(c1)C[*:1] C[C@]1(CCCN1C(=O)[*:1])C(=O)N1CCOCC1
C[C@@H](CCCO)n1c([C@@H](C)O)nc2cc(N)ccc21 OCCC[*:1] C[C@@H](n1c(nc2cc(N)ccc21)[C@@H](C)O)[*:1]
C[C@@H](CCCO)n1c([C@@H](C)O)nc2cc(N)ccc21 C[C@@H](CCCO)[*:1] C[C@@H](O)c1nc2cc(N)ccc2n1[*:1]
C[C@@H](CCCO)n1c([C@@H](C)O)nc2cc(N)ccc21 C[C@@H](O)[*:1] C[C@@H](CCCO)n1c(nc2cc(N)ccc21)[*:1]
C[C@@H](CCCO)n1c([C@@H](C)O)nc2cc(N)ccc21 OCC[*:1] C[C@@H](C[*:1])n1c(nc2cc(N)ccc21)[C@@H](C)O
COc1cccc(-c2cc(C(=O)Nc3cc(F)ccc3F)n[nH]2)c1 COc1cccc(c1)[*:1] O=C(Nc1cc(F)ccc1F)c1cc([nH]n1)[*:1]
COc1cccc(-c2cc(C(=O)Nc3cc(F)ccc3F)n[nH]2)c1 Fc1ccc(F)c(c1)[*:1] COc1cccc(c1)-c1cc(n[nH]1)C(=O)N[*:1]
BrCC/C=C/[C@H]1CCOC2(CCC2)C1 BrCC[*:1] C(=C[*:1])[C@H]1CCOC2(CCC2)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NCCCc3ccccc3)c12 c1ccc(cc1)[*:1] Cc1nn(c2nc(cc(C(=O)NCCC[*:1])c12)-c1cccs1)[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NCCCc3ccccc3)c12 c1ccc(cc1)CCC[*:1] Cc1nn(c2nc(cc(C(=O)N[*:1])c12)-c1cccs1)[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NCCCc3ccccc3)c12 c1csc(c1)[*:1] Cc1nn(c2nc(cc(C(=O)NCCCc3ccccc3)c12)[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NCCCc3ccccc3)c12 c1ccc(cc1)CC[*:1] Cc1nn(c2nc(cc(C(=O)NC[*:1])c12)-c1cccs1)[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NCCCc3ccccc3)c12 c1ccc(cc1)C[*:1] Cc1nn(c2nc(cc(C(=O)NCC[*:1])c12)-c1cccs1)[C@H]1CCS(=O)(=O)C1
CCOC(=O)CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 CCOC(=O)C[*:1] O=C(N[*:1])N1CCN2C(=O)NC[C@@H]2C1
CCOC(=O)CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 CCOC(=O)[*:1] O=C(NC[*:1])N1CCN2C(=O)NC[C@@H]2C1
O=c1cc[nH]c2ccc(OC(F)(F)F)cc12 FC(F)(F)O[*:1] O=c1cc[nH]c2ccc(cc12)[*:1]
O=c1cc[nH]c2ccc(OC(F)(F)F)cc12 FC(F)(F)[*:1] O=c1cc[nH]c2ccc(cc12)O[*:1]
CCNc1ncnc(Cl)c1[N+](=O)[O-] CCN[*:1] O=[N+]([O-])c1c(Cl)ncnc1[*:1]
CCNc1ncnc(Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1ncnc(Cl)c1[*:1]
CCOc1ccc(N(CCC#N)C(=O)c2ccc3ccccc3n2)cc1 CCO[*:1] N#CCCN(C(=O)c1ccc2ccccc2n1)c1ccc(cc1)[*:1]
CCOc1ccc(N(CCC#N)C(=O)c2ccc3ccccc3n2)cc1 N#CC[*:1] CCOc1ccc(cc1)N(C[*:1])C(=O)c1ccc2ccccc2n1
CCOc1ccc(N(CCC#N)C(=O)c2ccc3ccccc3n2)cc1 N#CCC[*:1] CCOc1ccc(cc1)N(C(=O)c1ccc2ccccc2n1)[*:1]
CCOc1cccc(C(=O)NNC(=O)c2ccccc2C)c1 Cc1ccccc1[*:1] CCOc1cccc(c1)C(=O)NNC(=O)[*:1]
CCOc1cccc(C(=O)NNC(=O)c2ccccc2C)c1 CCO[*:1] Cc1ccccc1C(=O)NNC(=O)c1cccc(c1)[*:1]
Cc1ccc(N2CC[C@H](C(=O)NNc3cccc(Cl)c3)C2=O)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)NN[*:1])C1=O
Cc1ccc(N2CC[C@H](C(=O)NNc3cccc(Cl)c3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NNc1cccc(Cl)c1)[C@H]1CCN(C1=O)[*:1]
CC(C)c1noc2ncc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)cc12 C1CCN(C1)[*:1] CC(C)c1noc2ncc(cc12)C(=O)Nc1cc(ccc1[*:1])C(N)=O
CC(C)c1noc2ncc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)cc12 NC(=O)[*:1] CC(C)c1noc2ncc(cc12)C(=O)Nc1cc(ccc1N1CCCC1)[*:1]
CC(C)c1noc2ncc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)cc12 CC(C)[*:1] NC(=O)c1ccc(c(c1)NC(=O)c1cnc2onc(c2c1)[*:1])N1CCCC1
Cc1ccc(-c2n[nH]cc2CN2CCCC[C@@H]2C2OCCO2)cc1 C1COC(O1)[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN1CCCC[C@H]1[*:1]
Cc1ccc(-c2n[nH]cc2CN2CCCC[C@@H]2C2OCCO2)cc1 Cc1ccc(cc1)[*:1] c1[nH]nc(c1CN1CCCC[C@@H]1C1OCCO1)[*:1]
O=C(NC1CCN(c2ncc(Cl)cc2F)CC1)c1ccccc1F Fc1ccccc1[*:1] O=C(NC1CCN(CC1)c1ncc(Cl)cc1F)[*:1]
O=C(NC1CCN(c2ncc(Cl)cc2F)CC1)c1ccccc1F Fc1cc(Cl)cnc1[*:1] O=C(NC1CCN(CC1)[*:1])c1ccccc1F
C[C@@H](C(=O)Nc1ccc(F)cc1F)[S@@](=O)Cc1nnnn1C1CC1 Fc1ccc(c(F)c1)[*:1] C[C@@H](C(=O)N[*:1])[S@@](=O)Cc1nnnn1C1CC1
C[C@@H](C(=O)Nc1ccc(F)cc1F)[S@@](=O)Cc1nnnn1C1CC1 C1CC1[*:1] C[C@@H](C(=O)Nc1ccc(F)cc1F)[S@@](=O)Cc1nnnn1[*:1]
C[C@@H](C(=O)Nc1ccc(F)cc1F)[S@@](=O)Cc1nnnn1C1CC1 C1CC1n1nnnc1[*:1] C[C@@H](C(=O)Nc1ccc(F)cc1F)[S@@](=O)C[*:1]
C[C@@H](O)CN(C)C(=O)NC[C@@H](C)Oc1ccccc1Br C[C@@H](O)C[*:1] C[C@H](CNC(=O)N(C)[*:1])Oc1ccccc1Br
C[C@@H](O)CN(C)C(=O)NC[C@@H](C)Oc1ccccc1Br C[C@@H](O)[*:1] C[C@H](CNC(=O)N(C)C[*:1])Oc1ccccc1Br
COCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 COC[*:1] O=C([O-])c1cc(c[nH]1)S(=O)(=O)NC[*:1]
COCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 O=C([O-])[*:1] COCCNS(=O)(=O)c1c[nH]c(c1)[*:1]
COCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 COCC[*:1] O=C([O-])c1cc(c[nH]1)S(=O)(=O)N[*:1]
CCn1c(C)cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1C FC(F)(F)[*:1] CCn1c(C)cc(C(=O)N[C@H]2CCC[C@@H](C2)[*:1])c1C
CC(C)CCCOS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=S1(=O)CC[C@H](C1)S(=O)(=O)OCCC[*:1]
CC(C)CCCOS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 CC(C)C[*:1] O=S1(=O)CC[C@H](C1)S(=O)(=O)OCC[*:1]
CC(C)CCCOS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 CC(C)CC[*:1] O=S1(=O)CC[C@H](C1)S(=O)(=O)OC[*:1]
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC2CCCC2)CC1 CC(C)(C)NC(=O)C[*:1] O=C(NCC1CC[NH+](CC1)[*:1])NC1CCCC1
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC2CCCC2)CC1 CC(C)(C)[*:1] O=C(C[NH+]1CCC(CC1)CNC(=O)NC1CCCC1)N[*:1]
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC2CCCC2)CC1 CC(C)(C)NC(=O)[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])NC1CCCC1
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] CC(C)(C)NC(=O)C[NH+]1CCC(CC1)CNC(=O)N[*:1]
COCCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] O=C1NC2(CCCC2)C(=O)N1CC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COCCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 COC[*:1] O=C1NC2(CCCC2)C(=O)N1CC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)no1 Cc1cc(no1)[*:1] O=C1N(CCC[C@@]12CCN(C2)C(=O)[*:1])Cc1ccc(F)cc1
Cc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)no1 Fc1ccc(cc1)C[*:1] Cc1cc(no1)C(=O)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
Cc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)no1 Fc1ccc(cc1)[*:1] Cc1cc(no1)C(=O)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
CC(C)C[NH+]1CCN(C(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)CC1 c1ccc(cc1)[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)[C@H](NC(=O)C[*:1])C(C)C
CC(C)C[NH+]1CCN(C(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)CC1 CC(C)[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)[C@H](NC(=O)Cc1ccccc1)[*:1]
CC(C)C[NH+]1CCN(C(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)CC1 c1ccc(cc1)C[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)[C@H](NC(=O)[*:1])C(C)C
CC(C)C[NH+]1CCN(C(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)CC1 CC(C)[*:1] CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[NH+](CC1)C[*:1]
COc1ccccc1-n1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2c1=O COc1ccccc1[*:1] O=C(c1nn(c(=O)c2ccccc12)[*:1])N1CCN(CC1)c1ccc(F)cc1
COc1ccccc1-n1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2c1=O Fc1ccc(cc1)[*:1] COc1ccccc1-n1nc(C(=O)N2CCN(CC2)[*:1])c2ccccc2c1=O
COc1ccc(/C=C\C(=O)N[C@@H](C)C(=O)NNc2ccc(C)c(Cl)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NNC(=O)[C@H](C)NC(=O)C=C[*:1]
COc1ccc(/C=C\C(=O)N[C@@H](C)C(=O)NNc2ccc(C)c(Cl)c2)cc1 Cc1ccc(cc1Cl)[*:1] COc1ccc(/C=C\C(=O)N[C@@H](C)C(=O)NN[*:1])cc1
Cn1cc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cn1 NC(=O)[*:1] Cn1cc(cn1)NC(=O)C1C[C@H](N(N=1)c1ccc(F)cc1)[*:1]
Cn1cc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cn1 Cn1cc(cn1)[*:1] NC(=O)[C@H]1CC(=NN1c1ccc(F)cc1)C(=O)N[*:1]
Cn1cc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cn1 Fc1ccc(cc1)[*:1] Cn1cc(cn1)NC(=O)C1C[C@H](C(N)=O)N(N=1)[*:1]
CCc1ccc(NC(=O)c2nnn(Cc3ccccc3)c2C)cc1 CCc1ccc(cc1)[*:1] Cc1c(nnn1Cc1ccccc1)C(=O)N[*:1]
CCc1ccc(NC(=O)c2nnn(Cc3ccccc3)c2C)cc1 c1ccc(cc1)C[*:1] CCc1ccc(cc1)NC(=O)c1nnn(c1C)[*:1]
CCc1ccc(NC(=O)c2nnn(Cc3ccccc3)c2C)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)c1nnn(C[*:1])c1C
CN(C)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)cc1Br CN(C)[*:1] O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(c(Br)c1)[*:1])[C@H]1C=C[C@@H]2C12CC2
CC[C@H]1NN=C(NC(=O)CCc2c(-c3ccc(OC)cc3)[nH]c3ccccc23)S1 COc1ccc(cc1)[*:1] CC[C@H]1NN=C(NC(=O)CCc2c([nH]c3ccccc23)[*:1])S1
O=[N+]([O-])c1ccc2oc(CN3CC[NH+]([C@H]4C[C@H]5CC[C@@H]4C5)CC3)nc2c1 O=[N+]([O-])[*:1] c1cc2oc(CN3CC[NH+](CC3)[C@H]3C[C@H]4CC[C@@H]3C4)nc2cc1[*:1]
C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H](C)O1 O=C([O-])[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1cnc(N2CCNC(=O)[C@H]2C(C)C)c([N+](=O)[O-])c1 CC(C)[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N1CCNC(=O)[C@@H]1[*:1]
Cc1cnc(N2CCNC(=O)[C@H]2C(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(c(c1)[*:1])N1CCNC(=O)[C@H]1C(C)C
CCC[C@H]([NH2+]Cc1ccnn1C)C1CCCCC1 C1CCC(CC1)[*:1] CCC[C@H]([NH2+]Cc1ccnn1C)[*:1]
CCC[C@H]([NH2+]Cc1ccnn1C)C1CCCCC1 CCC[*:1] Cn1nccc1C[NH2+][C@H](C1CCCCC1)[*:1]
CCC[C@H]([NH2+]Cc1ccnn1C)C1CCCCC1 Cn1nccc1[*:1] CCC[C@H]([NH2+]C[*:1])C1CCCCC1
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl O=[N+]([O-])[*:1] O=C(NNC(=O)c1cccc(c1)[*:1])Nc1ccccc1Cl
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(NNC(=O)c1cccc(c1)[N+](=O)[O-])N[*:1]
CCCn1nnnc1CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 CC(C)[*:1] CCCn1nnnc1CN1CCN(CC1)c1cc(C)[nH+]c(n1)[*:1]
CCCn1nnnc1CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 CCC[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)Cc1nnnn1[*:1]
CCCn1nnnc1CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 CCCn1nnnc1[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)C[*:1]
CCC[NH2+][C@@H](c1ccsc1)c1cc(C)c(Br)s1 CCC[*:1] Cc1cc(sc1Br)[C@@H]([NH2+][*:1])c1ccsc1
CCC[NH2+][C@@H](c1ccsc1)c1cc(C)c(Br)s1 c1cc(cs1)[*:1] CCC[NH2+][C@@H](c1cc(C)c(Br)s1)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1=O CCC[C@H](C)[*:1] C[C@@H](C(=O)NC1CC1)N1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1=O C1CC1[*:1] CCC[C@H](C)N1C[C@H](CC1=O)C(=O)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1=O O=C(NC1CC1)[*:1] CCC[C@H](C)N1C[C@H](CC1=O)C(=O)N1CCN(CC1)[C@@H](C)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1=O CCC[*:1] C[C@@H](C(=O)NC1CC1)N1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[C@@H](C)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1=O C[C@@H](C(=O)NC1CC1)[*:1] CCC[C@H](C)N1C[C@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
Cc1nc(NC(=O)[C@@H]2CC2(Cl)Cl)ccc1Br ClC1(Cl)C[C@H]1[*:1] Cc1nc(ccc1Br)NC(=O)[*:1]
CCOc1cc(C)ccc1NC(=O)c1nccn2ccnc12 CCO[*:1] Cc1ccc(NC(=O)c2nccn3ccnc23)c(c1)[*:1]
CC(C)CC[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC(C)CC[C@@H](C)NC(=O)C1CCN(CC1)c1ccccc1[*:1]
CC(C)CC[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)C1CCN(CC1)c1ccccc1[N+](=O)[O-]
CC(C)CC[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 CC(C)CC[*:1] C[C@@H](NC(=O)C1CCN(CC1)c1ccccc1[N+](=O)[O-])[*:1]
CC(C)CC[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)C1CCN(CC1)c1ccccc1[N+](=O)[O-]
CCc1cccc(N2C(=O)[C@H](Cc3ccccc3)N=C2N2CCN(c3ncccn3)CC2)c1 c1ccc(cc1)[*:1] CCc1cccc(c1)N1C(=O)[C@H](C[*:1])N=C1N1CCN(CC1)c1ncccn1
CCc1cccc(N2C(=O)[C@H](Cc3ccccc3)N=C2N2CCN(c3ncccn3)CC2)c1 CCc1cccc(c1)[*:1] O=C1[C@H](Cc2ccccc2)N=C(N2CCN(CC2)c2ncccn2)N1[*:1]
CCc1cccc(N2C(=O)[C@H](Cc3ccccc3)N=C2N2CCN(c3ncccn3)CC2)c1 c1cnc(nc1)[*:1] CCc1cccc(c1)N1C(=O)[C@H](Cc2ccccc2)N=C1N1CCN(CC1)[*:1]
CCc1cccc(N2C(=O)[C@H](Cc3ccccc3)N=C2N2CCN(c3ncccn3)CC2)c1 c1ccc(cc1)C[*:1] CCc1cccc(c1)N1C(=O)[C@H](N=C1N1CCN(CC1)c1ncccn1)[*:1]
CCn1c(SCCOc2cccc3ccccc23)nnc1N1CCOCC1 C1CN(CCO1)[*:1] CCn1c(nnc1[*:1])SCCOc1cccc2ccccc12
Cc1ccc(/C=C/S(=O)(=O)[N-]c2cccnc2-n2cncn2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])[N-]c1cccnc1-n1cncn1
Cc1ccc(/C=C/S(=O)(=O)[N-]c2cccnc2-n2cncn2)cc1 c1ncn(n1)[*:1] Cc1ccc(/C=C/S(=O)(=O)[N-]c2cccnc2[*:1])cc1
CCOc1c(CN2C[C@H](CO)OC[C@@H]2C)c(C)nn1CC(C)C CCO[*:1] Cc1nn(CC(C)C)c(c1CN1C[C@H](CO)OC[C@@H]1C)[*:1]
CCOc1c(CN2C[C@H](CO)OC[C@@H]2C)c(C)nn1CC(C)C CC(C)C[*:1] CCOc1c(CN2C[C@H](CO)OC[C@@H]2C)c(C)nn1[*:1]
CCOc1c(CN2C[C@H](CO)OC[C@@H]2C)c(C)nn1CC(C)C CC(C)[*:1] CCOc1c(CN2C[C@H](CO)OC[C@@H]2C)c(C)nn1C[*:1]
CC(C)[NH+]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 CC(C)[*:1] O=C(c1ccc(o1)-c1ccccc1Cl)N1CCC[NH+](CC1)[*:1]
CC(C)[NH+]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 Clc1ccccc1[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)c1ccc(o1)[*:1]
CC(C)Cn1c(SCC(=O)N2CCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 O=C(N1CCCC1)[*:1] CC(C)Cn1c(nc2sc3C[C@@H](C)CCc3c2c1=O)SC[*:1]
CC(C)Cn1c(SCC(=O)N2CCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 O=C(CS[*:1])N1CCCC1 CC(C)Cn1c(nc2sc3C[C@@H](C)CCc3c2c1=O)[*:1]
CC(C)Cn1c(SCC(=O)N2CCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 CC(C)C[*:1] C[C@H]1CCc2c(C1)sc1nc(SCC(=O)N3CCCC3)n(c(=O)c21)[*:1]
CC(C)Cn1c(SCC(=O)N2CCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 CC(C)[*:1] C[C@H]1CCc2c(C1)sc1nc(SCC(=O)N3CCCC3)n(C[*:1])c(=O)c21
CC(C)Cn1c(SCC(=O)N2CCCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 O=C(C[*:1])N1CCCC1 CC(C)Cn1c(nc2sc3C[C@@H](C)CCc3c2c1=O)S[*:1]
CN(Cc1ccc(Br)s1)Cn1nc(-c2ccccc2F)n(C)c1=S Brc1ccc(C[*:1])s1 CN(Cn1nc(-c2ccccc2F)n(C)c1=S)[*:1]
CN(Cc1ccc(Br)s1)Cn1nc(-c2ccccc2F)n(C)c1=S Brc1ccc(s1)[*:1] CN(Cn1nc(-c2ccccc2F)n(C)c1=S)C[*:1]
CN(Cc1ccc(Br)s1)Cn1nc(-c2ccccc2F)n(C)c1=S Fc1ccccc1[*:1] CN(Cc1ccc(Br)s1)Cn1nc(n(C)c1=S)[*:1]
CCCOc1ccc(NC(=O)c2cnn(C(C)(C)C)c2)cc1Cl CC(C)(C)[*:1] CCCOc1ccc(cc1Cl)NC(=O)c1cnn(c1)[*:1]
CCCOc1ccc(NC(=O)c2cnn(C(C)(C)C)c2)cc1Cl CCC[*:1] CC(C)(C)n1cc(cn1)C(=O)Nc1ccc(O[*:1])c(Cl)c1
CCCOc1ccc(NC(=O)c2cnn(C(C)(C)C)c2)cc1Cl CCCO[*:1] CC(C)(C)n1cc(cn1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
O=C(C[NH+]1CCCC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(C[NH+]1CCCC1)N(C1CCCCC1)[*:1]
O=C(C[NH+]1CCCC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(CC1)[*:1] O=C(C[NH+]1CCCC1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)c(C)c1 Cc1ccc(cc1Cl)[*:1] Cc1cc(C)c(NC(=O)[C@H](C)Sc2nncn2[*:1])c(C)c1
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1ccc(cc1Cl)-n1cnnc1S[C@@H](C)C(=O)N[*:1]
COc1cccc(CN(CCC#N)C[C@H]2CCOC2)c1 N#CCC[*:1] COc1cccc(c1)CN(C[C@H]1CCOC1)[*:1]
COc1cccc(CN(CCC#N)C[C@H]2CCOC2)c1 C1C[C@@H](CO1)C[*:1] COc1cccc(c1)CN(CCC#N)[*:1]
COc1cccc(CN(CCC#N)C[C@H]2CCOC2)c1 N#CC[*:1] COc1cccc(c1)CN(C[C@H]1CCOC1)C[*:1]
COc1cccc(CN(CCC#N)C[C@H]2CCOC2)c1 C1C[C@@H](CO1)[*:1] COc1cccc(c1)CN(CCC#N)C[*:1]
O=c1c(-c2cccc(-n3cccn3)c2)cc2c(n1CC1CC1)CC[NH+](Cc1ccc(O)cc1)C2 c1cc(cc(c1)[*:1])-n1cccn1 O=c1c(cc2C[NH+](CCc2n1CC1CC1)Cc1ccc(O)cc1)[*:1]
O=c1c(-c2cccc(-n3cccn3)c2)cc2c(n1CC1CC1)CC[NH+](Cc1ccc(O)cc1)C2 Oc1ccc(cc1)[*:1] O=c1c(cc2C[NH+](CCc2n1CC1CC1)C[*:1])-c1cccc(c1)-n1cccn1
O=c1c(-c2cccc(-n3cccn3)c2)cc2c(n1CC1CC1)CC[NH+](Cc1ccc(O)cc1)C2 C1CC1[*:1] O=c1c(cc2C[NH+](CCc2n1C[*:1])Cc1ccc(O)cc1)-c1cccc(c1)-n1cccn1
O=c1c(-c2cccc(-n3cccn3)c2)cc2c(n1CC1CC1)CC[NH+](Cc1ccc(O)cc1)C2 c1cnn(c1)[*:1] O=c1c(cc2C[NH+](CCc2n1CC1CC1)Cc1ccc(O)cc1)-c1cccc(c1)[*:1]
O=c1c(-c2cccc(-n3cccn3)c2)cc2c(n1CC1CC1)CC[NH+](Cc1ccc(O)cc1)C2 Oc1ccc(cc1)C[*:1] O=c1c(cc2C[NH+](CCc2n1CC1CC1)[*:1])-c1cccc(c1)-n1cccn1
O=c1c(-c2cccc(-n3cccn3)c2)cc2c(n1CC1CC1)CC[NH+](Cc1ccc(O)cc1)C2 C1CC1C[*:1] O=c1c(cc2C[NH+](CCc2n1[*:1])Cc1ccc(O)cc1)-c1cccc(c1)-n1cccn1
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OC[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)N1CCCC1 c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)OCC(=O)N1CCCC1)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)O[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)N1CCCC1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)OCC(=O)N1CCCC1
O=Cc1ccc(-c2ccc(C(=O)[O-])cn2)cc1 O=C([O-])[*:1] O=Cc1ccc(cc1)-c1ccc(cn1)[*:1]
O=C(CNC(=O)NCc1cc2ccccc2o1)NCc1ccco1 c1coc(c1)[*:1] O=C(CNC(=O)NCc1cc2ccccc2o1)NC[*:1]
O=C(CNC(=O)NCc1cc2ccccc2o1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CNC(=O)NCc1cc2ccccc2o1)N[*:1]
CCc1ncc(CN(C)C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)s1 CCc1ncc(s1)[*:1] CN(C[*:1])C(=O)NCC(C)(C)c1ccc2OCOc2c1
CCc1ncc(CN(C)C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)s1 CCc1ncc(C[*:1])s1 CN(C(=O)NCC(C)(C)c1ccc2OCOc2c1)[*:1]
Cc1c(C)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C)c2oc1=O NS(=O)(=O)[*:1] Cc1c(C)c2ccc(OCC(=O)Nc3ccc(cc3)[*:1])c(C)c2oc1=O
C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1 CN(C)S(=O)(=O)[*:1] C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(c2)[*:1])C[C@@H](C)O1
CC(C)(C)c1ccc([C@H](O)CNC(=O)C[C@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)[C@H](O)CNC(=O)C[C@H](O)[*:1]
CC(C)(C)c1ccc([C@H](O)CNC(=O)C[C@H](O)c2ccccc2)cc1 CC(C)(C)[*:1] O=C(C[C@H](O)c1ccccc1)NC[C@@H](O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc([C@H](O)CNC(=O)C[C@H](O)c2ccccc2)cc1 O[C@H](c1ccccc1)[*:1] CC(C)(C)c1ccc(cc1)[C@H](O)CNC(=O)C[*:1]
Cc1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)c(C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)c(c1)[*:1]
Cc1cc(C)c2cc(C(=O)N[C@H]3CCN(C(=O)c4ccccn4)C3)[nH]c2c1 c1ccc(nc1)[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)N[C@H]1CCN(C1)C(=O)[*:1]
CCCS(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 CCC[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])S(=O)(=O)[*:1]
O=C1CN(C(=O)COC(=O)CN2CCSC2=O)c2ccccc2N1 O=C1SCCN1[*:1] O=C1CN(C(=O)COC(=O)C[*:1])c2ccccc2N1
O=C1CN(C(=O)COC(=O)CN2CCSC2=O)c2ccccc2N1 O=C1SCCN1C[*:1] O=C1CN(C(=O)COC(=O)[*:1])c2ccccc2N1
N#C/C(C(=O)CCl)=C(/c1ccc(F)cc1)N1CCCCC1 C1CCN(CC1)[*:1] N#CC(C(=O)CCl)=C(c1ccc(F)cc1)[*:1]
N#C/C(C(=O)CCl)=C(/c1ccc(F)cc1)N1CCCCC1 Fc1ccc(cc1)[*:1] N#C/C(C(=O)CCl)=C(\N1CCCCC1)[*:1]
N#C/C(C(=O)CCl)=C(/c1ccc(F)cc1)N1CCCCC1 O=C(CCl)[*:1] N#CC(=C(c1ccc(F)cc1)N1CCCCC1)[*:1]
COc1cccc(-n2c(C)nc3ccc(OCC#N)cc3c2=O)c1 N#CCO[*:1] COc1cccc(c1)-n1c(C)nc2ccc(cc2c1=O)[*:1]
COc1cccc(-n2c(C)nc3ccc(OCC#N)cc3c2=O)c1 COc1cccc(c1)[*:1] Cc1nc2ccc(cc2c(=O)n1[*:1])OCC#N
COc1cccc(-n2c(C)nc3ccc(OCC#N)cc3c2=O)c1 N#CC[*:1] COc1cccc(c1)-n1c(C)nc2ccc(cc2c1=O)O[*:1]
Cc1ccc(C(=O)OCc2nc3ccccc3[nH]2)s1 Cc1ccc(s1)[*:1] O=C(OCc1nc2ccccc2[nH]1)[*:1]
Cc1ccccc1[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)C1CC1 Fc1ccccc1[*:1] Cc1ccccc1[C@H]([NH2+]C1CCN(CC1)C(=O)[*:1])C1CC1
Cc1ccccc1[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)C1CC1 C1CC1[*:1] Cc1ccccc1[C@H]([NH2+]C1CCN(CC1)C(=O)c1ccccc1F)[*:1]
Cc1ccccc1[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)C1CC1 Cc1ccccc1[*:1] O=C(c1ccccc1F)N1CCC(CC1)[NH2+][C@H](C1CC1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC(OCC(C)C)CC1 CC(C)C[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC(CC1)O[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC(OCC(C)C)CC1 CC(C)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC(CC1)OC[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC(OCC(C)C)CC1 CC(C)CO[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC(CC1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC(OCC(C)C)CC1 Cc1nn(C)cc1[*:1] CC(C)COC1CCN(CC1)C(=O)N[C@@H](C)[*:1]
C[C@@H]1C[C@H]([NH3+])CN(c2ccc(F)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@@H]1C[C@H]([NH3+])CN(C1)c1ccc(F)cc1[*:1]
C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)[*:1]
Cc1cccc(C(=O)NC[C@H](C)Oc2ccccc2C)n1 Cc1cccc(n1)[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)[*:1]
Cc1cccc(C(=O)NC[C@H](C)Oc2ccccc2C)n1 Cc1ccccc1[*:1] Cc1cccc(n1)C(=O)NC[C@H](C)O[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1[*:1] CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1ccc(C[*:1])o1
CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1C[*:1] CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1ccc(o1)[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1ccc(Cn2ccccc2=O)o1 CC(C)[*:1] C[C@H]1CC[C@H]([C@@H](C1)NC(=O)c1ccc(Cn2ccccc2=O)o1)[*:1]
CCN(C(=O)c1ccc(S(N)(=O)=O)c(F)c1)[C@@H]1CCCC[C@@H]1C NS(=O)(=O)[*:1] CCN(C(=O)c1ccc(c(F)c1)[*:1])[C@@H]1CCCC[C@@H]1C
O=C(Nc1ccccn1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(Nc1ccccn1)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccccn1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 c1ccc(nc1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1cccc(Cl)c1
Cc1occc1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 Cc1occc1[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCC(CC1)C(O)(c1ccccc1)[*:1]
C[C@@H](SC(C)(C)C)C(=O)Nc1ncc(Cl)cc1Cl CC(C)(C)[*:1] C[C@@H](S[*:1])C(=O)Nc1ncc(Cl)cc1Cl
C[C@@H](SC(C)(C)C)C(=O)Nc1ncc(Cl)cc1Cl CC(C)(C)S[*:1] C[C@@H](C(=O)Nc1ncc(Cl)cc1Cl)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](C(=O)c2cc3ccccc3o2)C1 CS(=O)(=O)[*:1] O=C(c1cc2ccccc2o1)[C@H]1CCC[C@H](C1)[*:1]
Nc1c(NCc2ccccc2)ncnc1Nc1ccccc1F c1ccc(cc1)C[*:1] Nc1c(ncnc1N[*:1])Nc1ccccc1F
Nc1c(NCc2ccccc2)ncnc1Nc1ccccc1F Fc1ccccc1[*:1] Nc1c(ncnc1N[*:1])NCc1ccccc1
Nc1c(NCc2ccccc2)ncnc1Nc1ccccc1F c1ccc(cc1)[*:1] Nc1c(ncnc1Nc1ccccc1F)NC[*:1]
CC1CCN(C(=O)CNc2ccc(C(=O)N3CCCC3)cc2)CC1 O=C(N1CCCC1)[*:1] CC1CCN(CC1)C(=O)CNc1ccc(cc1)[*:1]
COc1ccc(CC[C@]2(C)NC(=O)N(Cc3ncc(-c4ccccc4)o3)C2=O)cc1 COc1ccc(cc1)[*:1] C[C@@]1(CC[*:1])NC(=O)N(Cc2ncc(o2)-c2ccccc2)C1=O
COc1ccc(CC[C@]2(C)NC(=O)N(Cc3ncc(-c4ccccc4)o3)C2=O)cc1 COc1ccc(cc1)CC[*:1] C[C@@]1(NC(=O)N(Cc2ncc(o2)-c2ccccc2)C1=O)[*:1]
COc1ccc(CC[C@]2(C)NC(=O)N(Cc3ncc(-c4ccccc4)o3)C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC[C@]1(C)NC(=O)N(Cc2ncc(o2)[*:1])C1=O
COc1ccc(CC[C@]2(C)NC(=O)N(Cc3ncc(-c4ccccc4)o3)C2=O)cc1 COc1ccc(cc1)C[*:1] C[C@@]1(C[*:1])NC(=O)N(Cc2ncc(o2)-c2ccccc2)C1=O
COC(=O)c1cccc(CC(=O)N2CCCc3c2cccc3[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cccc(c1)CC(=O)N1CCCc2c1cccc2[*:1]
COC(=O)c1cccc(CC(=O)N2CCCc3c2cccc3[N+](=O)[O-])c1 COC(=O)[*:1] O=C(Cc1cccc(c1)[*:1])N1CCCc2c1cccc2[N+](=O)[O-]
C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccncc1 C=CC[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])N1CCC[C@@H]1c1ccc2OCCOc2c1
C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccncc1 c1cc2OCCOc2cc1[*:1] C=CCn1c(nnc1-c1ccncc1)SCC(=O)N1CCC[C@H]1[*:1]
C=CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccncc1 c1cc(ccn1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)N1CCC[C@@H]1c1ccc2OCCOc2c1
O=C(C[NH+]1CCCCCC1)N1CCC2=C(C1)[C@@H](c1ccc(Cl)cc1)[NH+]=N2 Clc1ccc(cc1)[*:1] O=C(C[NH+]1CCCCCC1)N1CCC2N=[NH+][C@H](C=2C1)[*:1]
CCOc1ccc([C@H](O)c2ccco2)c(Br)c1 CCO[*:1] O[C@H](c1ccco1)c1ccc(cc1Br)[*:1]
CCOc1ccc([C@H](O)c2ccco2)c(Br)c1 c1coc(c1)[*:1] CCOc1ccc(c(Br)c1)[C@H](O)[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCCC1)C1(CCC1)[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1(c2ccccc2)CCC1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])C1(CCC1)c1ccccc1
C[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](NC(=O)c1ccc(cc1)-n1ccnn1)c1nc(no1)[*:1]
C[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1nc(C(C)(C)C)no1 c1cn(nn1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1nc(no1)C(C)(C)C
Cc1ccccc1CNC(=O)CNC(=O)c1ccsc1 c1cc(cs1)[*:1] Cc1ccccc1CNC(=O)CNC(=O)[*:1]
NC(=O)CCCOC(=O)c1ccc(F)c(Br)c1 NC(=O)CC[*:1] O=C(OC[*:1])c1ccc(F)c(Br)c1
NC(=O)CCCOC(=O)c1ccc(F)c(Br)c1 NC(=O)C[*:1] O=C(OCC[*:1])c1ccc(F)c(Br)c1
NC(=O)CCCOC(=O)c1ccc(F)c(Br)c1 NC(=O)[*:1] O=C(OCCC[*:1])c1ccc(F)c(Br)c1
CCCCCCO[C@H]1Cc2ccc(OC)cc2[C@@H]1[NH3+] CCC[*:1] COc1ccc2C[C@H](OCCC[*:1])[C@@H]([NH3+])c2c1
CCCCCCO[C@H]1Cc2ccc(OC)cc2[C@@H]1[NH3+] CCCC[*:1] COc1ccc2C[C@H](OCC[*:1])[C@@H]([NH3+])c2c1
CCCCCCO[C@H]1Cc2ccc(OC)cc2[C@@H]1[NH3+] CCCCCC[*:1] COc1ccc2C[C@H](O[*:1])[C@@H]([NH3+])c2c1
CCCCCCO[C@H]1Cc2ccc(OC)cc2[C@@H]1[NH3+] CCCCC[*:1] COc1ccc2C[C@H](OC[*:1])[C@@H]([NH3+])c2c1
C=CCNC(=O)[C@@H](C)Nc1ccc(NS(C)(=O)=O)c(C)c1 C=CCNC(=O)[*:1] Cc1cc(ccc1NS(C)(=O)=O)N[C@H](C)[*:1]
C=CCNC(=O)[C@@H](C)Nc1ccc(NS(C)(=O)=O)c(C)c1 C=CC[*:1] Cc1cc(ccc1NS(C)(=O)=O)N[C@H](C)C(=O)N[*:1]
C=CCNC(=O)[C@@H](C)Nc1ccc(NS(C)(=O)=O)c(C)c1 CS(=O)(=O)N[*:1] C=CCNC(=O)[C@@H](C)Nc1ccc(c(C)c1)[*:1]
CCn1c(SCC(=O)Nc2nncs2)nc2ccccc21 c1nnc(s1)[*:1] CCn1c(nc2ccccc21)SCC(=O)N[*:1]
CC(C)[C@@H]1CN(Cc2cc(F)cc(Br)c2)[C@H](C2CC2)C[NH2+]1 C1CC1[*:1] CC(C)[C@@H]1CN(Cc2cc(F)cc(Br)c2)[C@H](C[NH2+]1)[*:1]
CC(C)[C@@H]1CN(Cc2cc(F)cc(Br)c2)[C@H](C2CC2)C[NH2+]1 CC(C)[*:1] Fc1cc(Br)cc(c1)CN1C[C@H]([NH2+]C[C@H]1C1CC1)[*:1]
CC1(C)C(C(=O)N2CCOC[C@H]2C(=O)[O-])C1(C)C O=C([O-])[*:1] CC1(C)C(C(=O)N2CCOC[C@@H]2[*:1])C1(C)C
CCc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 Clc1ccc(cc1)[*:1] CCc1ccc(cc1)N(CC(=O)N[*:1])S(C)(=O)=O
CCc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 CCc1ccc(cc1)[*:1] CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)CSc1nc2nc(C)c(C)c(C)n2n1 CC(C)[*:1] Cc1cccc(c1NC(=O)CSc1nc2nc(C)c(C)c(C)n2n1)[*:1]
COC1CC[NH+](CCNC(=O)Nc2ccc(OC(F)F)cc2)CC1 FC(F)[*:1] COC1CC[NH+](CCNC(=O)Nc2ccc(cc2)O[*:1])CC1
COC1CC[NH+](CCNC(=O)Nc2ccc(OC(F)F)cc2)CC1 FC(F)O[*:1] COC1CC[NH+](CCNC(=O)Nc2ccc(cc2)[*:1])CC1
O=C(Cc1ccn(C2CCCC2)n1)c1ccc(Cl)cn1 C1CCC(C1)[*:1] O=C(Cc1ccn(n1)[*:1])c1ccc(Cl)cn1
CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 FC(F)(F)O[*:1] CCNS(=O)(=O)c1ccc(C)c(c1)C(=O)Nc1ccc(cc1)[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 FC(F)(F)[*:1] CCNS(=O)(=O)c1ccc(C)c(c1)C(=O)Nc1ccc(cc1)O[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 CCNS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)Nc1ccc(cc1)OC(F)(F)F)[*:1]
COCc1cc(CC2(NC3CC[NH+](C)CC3)COC2)no1 COC[*:1] C[NH+]1CCC(CC1)NC1(COC1)Cc1cc(on1)[*:1]
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(cc1)NS(=O)(=O)[*:1]
COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1cc(C)ccc1C)CC2 Cc1ccc(C)c(c1)[*:1] COc1cc2CCN([C@H](C)c2cc1OC)S(=O)(=O)[*:1]
C[C@H](NC(=O)CCCn1cncn1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)CCCn1cncn1)[*:1]
C[C@H](NC(=O)CCCn1cncn1)c1ccc(Cl)s1 c1ncn(n1)[*:1] C[C@H](NC(=O)CCC[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)CCCn1cncn1)c1ccc(Cl)s1 c1ncn(C[*:1])n1 C[C@H](NC(=O)CC[*:1])c1ccc(Cl)s1
O=C(Nn1cccc1)c1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Nn1cccc1)c1ccc(F)c(c1)[*:1]
Cc1noc([C@](C)(N)C(F)(F)F)n1 FC(F)(F)[*:1] Cc1noc(n1)[C@](C)(N)[*:1]
CCc1nn(C)c(CC)c1CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 CC(C)(C)[*:1] CCc1nn(C)c(CC)c1CN1CCO[C@@H](C1)c1nc(cs1)[*:1]
COCc1cccc(CNC(=O)C[NH+]2CCOc3ccccc3C2)c1 COC[*:1] O=C(C[NH+]1CCOc2ccccc2C1)NCc1cccc(c1)[*:1]
O=[N+]([O-])c1ccc(N/N=C2\C[C@H]3CC=C[C@@H]23)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1N/N=C1\C[C@H]2CC=C[C@@H]12)[*:1]
O=[N+]([O-])c1ccc(N/N=C2\C[C@H]3CC=C[C@@H]23)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(N/N=C2\C[C@H]3CC=C[C@@H]23)c(c1)[*:1]
COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)Cc3ccccc3Cl)nc12 c1cncc(c1)C[*:1] COc1ccc(OC)c2sc(nc12)N(C(=O)Cc1ccccc1Cl)[*:1]
COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)Cc3ccccc3Cl)nc12 c1cncc(c1)[*:1] COc1ccc(OC)c2sc(nc12)N(C[*:1])C(=O)Cc1ccccc1Cl
COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)Cc3ccccc3Cl)nc12 Clc1ccccc1C[*:1] COc1ccc(OC)c2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)Cc3ccccc3Cl)nc12 Clc1ccccc1[*:1] COc1ccc(OC)c2sc(nc12)N(Cc1cccnc1)C(=O)C[*:1]
CCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] CCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(cc2)[*:1])C1=O
CC[C@H](Cc1ccc(C)cc1)NC(=O)Cn1ccccc1=O O=c1ccccn1[*:1] CC[C@H](Cc1ccc(C)cc1)NC(=O)C[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)Cn1ccccc1=O Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)Cn1ccccc1=O
CC(C)N(C)c1cccc(NC(=O)N[C@H](C)C(=O)N2CCc3ccccc32)c1 CC(C)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)N(C)[*:1])C(=O)N1CCc2ccccc21
CC(C)N(C)c1cccc(NC(=O)N[C@H](C)C(=O)N2CCc3ccccc32)c1 CC(C)N(C)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)[*:1])C(=O)N1CCc2ccccc21
C[NH2+][C@@H](c1cccc(Cl)c1F)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[NH2+][C@@H](c1cccc(Cl)c1F)[C@H]1CCC[C@H](C1)[*:1]
C[C@H](O)c1ccnc(S[C@@H]2CCC[C@@H](C)C2)c1 C[C@H](O)[*:1] C[C@@H]1CCC[C@H](C1)Sc1cc(ccn1)[*:1]
CC(C)C(=O)Nc1ccc(N[C@H](C)C[C@@H]2CCC[NH2+]2)cc1 CC(C)C(=O)N[*:1] C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(N[C@H](C)C[C@@H]2CCC[NH2+]2)cc1 CC(C)[*:1] C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(cc1)NC(=O)[*:1]
CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1coc2cc(C)ccc12 CNS(=O)(=O)[*:1] Cc1ccc2c(coc2c1)CC(=O)NCc1ccccc1C[*:1]
CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1coc2cc(C)ccc12 CNS(=O)(=O)C[*:1] Cc1ccc2c(coc2c1)CC(=O)NCc1ccccc1[*:1]
O=C(Cn1c(C(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1cccc(F)c1 Clc1ccc(cc1)[*:1] O=C(Cn1c(nc2ccccc21)C(=O)[*:1])Nc1cccc(F)c1
O=C(Cn1c(C(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cn1c(nc2ccccc21)C(=O)c1ccc(Cl)cc1)N[*:1]
O=C(Cn1c(C(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1cccc(F)c1 O=C(c1ccc(Cl)cc1)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])Nc1cccc(F)c1
Cc1ccc(O[C@@H](C)CNc2ncnc3nc(N)ccc23)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CNc1ncnc2nc(N)ccc12)O[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)c2cc(C(C)(C)C)nn2C)C1 CC(C)(C)[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)c1cc(nn1C)[*:1]
C[C@@H](CNC(=O)Cc1noc2ccccc12)c1ccsc1 C[C@@H](c1ccsc1)[*:1] O=C(Cc1noc2ccccc12)NC[*:1]
C[C@@H](CNC(=O)Cc1noc2ccccc12)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)Cc1noc2ccccc12)[*:1]
Cc1ccc(NC(=O)NC[C@H]2O[C@@H](CC(=O)NC3CC3)[C@H](O)[C@@H]2O)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@@H]1O[C@H](CNC(=O)N[*:1])[C@@H](O)[C@H]1O)NC1CC1
Cc1ccc(NC(=O)NC[C@H]2O[C@@H](CC(=O)NC3CC3)[C@H](O)[C@@H]2O)cc1 O=C(C[*:1])NC1CC1 Cc1ccc(cc1)NC(=O)NC[C@H]1O[C@@H]([C@H](O)[C@@H]1O)[*:1]
Cc1ccc(NC(=O)NC[C@H]2O[C@@H](CC(=O)NC3CC3)[C@H](O)[C@@H]2O)cc1 C1CC1[*:1] Cc1ccc(cc1)NC(=O)NC[C@H]1O[C@@H](CC(=O)N[*:1])[C@H](O)[C@@H]1O
Cc1ccc(NC(=O)NC[C@H]2O[C@@H](CC(=O)NC3CC3)[C@H](O)[C@@H]2O)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)NC(=O)NC[C@H]1O[C@@H](C[*:1])[C@H](O)[C@@H]1O
CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2cnccn2)CC1 CC[C@@H](C)[*:1] O=C(N[C@@H](C(=O)N1CCN(CC1)c1cnccn1)[*:1])c1ccc(Cl)cc1
CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2cnccn2)CC1 Clc1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](NC(=O)[*:1])C(=O)N1CCN(CC1)c1cnccn1
C[C@H](N[C@H](C)CCN1CCOCC1)c1nc2c(s1)CCCC2 C1CN(CCO1)[*:1] C[C@H](N[C@H](C)CC[*:1])c1nc2CCCCc2s1
C[C@H](N[C@H](C)CCN1CCOCC1)c1nc2c(s1)CCCC2 C1CN(CCO1)C[*:1] C[C@H](N[C@H](C)C[*:1])c1nc2CCCCc2s1
COC(=O)CCn1nc(C)c(CN2CCO[C@@H](c3nccs3)C2)c1C COC(=O)CC[*:1] Cc1nn(c(C)c1CN1CCO[C@H](C1)c1nccs1)[*:1]
COC(=O)CCn1nc(C)c(CN2CCO[C@@H](c3nccs3)C2)c1C COC(=O)[*:1] Cc1nn(CC[*:1])c(C)c1CN1CCO[C@H](C1)c1nccs1
COC(=O)CCn1nc(C)c(CN2CCO[C@@H](c3nccs3)C2)c1C COC(=O)C[*:1] Cc1nn(C[*:1])c(C)c1CN1CCO[C@H](C1)c1nccs1
COC(=O)CCn1nc(C)c(CN2CCO[C@@H](c3nccs3)C2)c1C c1csc(n1)[*:1] COC(=O)CCn1nc(C)c(CN2CCO[C@@H](C2)[*:1])c1C
CC[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 C[C@@H](c1ccco1)[*:1] CC[C@H](NC(=O)N(C)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 c1coc(c1)[*:1] CC[C@H](NC(=O)N(C)[C@@H](C)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1cccc(c1)[*:1]
CC[C@H](Nc1nc2ccc(Cl)cn2n1)C(C)C CC(C)[*:1] CC[C@H](Nc1nc2ccc(Cl)cn2n1)[*:1]
C[C@H](c1ccco1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 c1coc(c1)[*:1] C[C@H](N(C)C(=O)[C@H]1CC(=O)N(C)C1)[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)N(CC1CC1)C(C)C C1CC1[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)N(C[*:1])C(C)C
Cc1c(F)cc(N)cc1S(=O)(=O)N(CC1CC1)C(C)C C1CC1C[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)N(C(C)C)[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)N(CC1CC1)C(C)C CC(C)[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)N(CC1CC1)[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 C[C@H]1C[C@@H]1C(=O)N[*:1] CN1CCC/C1=N/S(=O)(=O)c1ccc(cc1)[*:1]
O=C(Cn1c(-c2ccncc2)nc2ccccc21)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(Cn1c(nc2ccccc21)-c1ccncc1)N[*:1]
O=C(Cn1c(-c2ccncc2)nc2ccccc21)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(nc2ccccc21)-c1ccncc1)NCC[*:1]
O=C(Cn1c(-c2ccncc2)nc2ccccc21)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cn1c(nc2ccccc21)-c1ccncc1)NC[*:1]
O=C(Cn1c(-c2ccncc2)nc2ccccc21)NCCc1ccccc1 c1cc(ccn1)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])NCCc1ccccc1
CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(F)cc3)O2)c(OC(C)=O)c1 CC(=O)O[*:1] CC(=O)Oc1cc(ccc1C1=NN(C(C)=O)[C@@H](O1)c1ccc(F)cc1)[*:1]
CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(F)cc3)O2)c(OC(C)=O)c1 Fc1ccc(cc1)[*:1] CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@H](O2)[*:1])c(c1)OC(C)=O
CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(F)cc3)O2)c(OC(C)=O)c1 CC(=O)O[*:1] CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@@H](O2)c2ccc(F)cc2)c(c1)[*:1]
CC(C)CC1(C(=O)Nc2ccc(O)c(Cl)c2)CCCC1 CC(C)C[*:1] O=C(Nc1ccc(O)c(Cl)c1)C1(CCCC1)[*:1]
CC(C)CC1(C(=O)Nc2ccc(O)c(Cl)c2)CCCC1 CC(C)[*:1] O=C(Nc1ccc(O)c(Cl)c1)C1(CCCC1)C[*:1]
COc1ccc(Cl)cc1C(=O)NC[C@@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(Cl)cc1C(=O)NC[C@@](C)(O)[*:1]
COc1ccc(OC)c([C@@H]2SCCN2C(=O)Nc2ccccc2OC)c1 COc1ccccc1[*:1] COc1ccc(OC)c(c1)[C@@H]1SCCN1C(=O)N[*:1]
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H]1CCCO1 CC(C)[*:1] O=C(N[C@H](C(=O)NC[C@H]1CCCO1)[*:1])c1ccccc1F
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H]1CCCO1 Fc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NC[C@H]1CCCO1
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N[*:1]
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[*:1]
COCC(=O)Nc1ccc(-n2nc(C)c(Cl)c2C)cc1 COC[*:1] Cc1nn(-c2ccc(cc2)NC(=O)[*:1])c(C)c1Cl
COCC(=O)Nc1ccc(-n2nc(C)c(Cl)c2C)cc1 COCC(=O)N[*:1] Cc1nn(-c2ccc(cc2)[*:1])c(C)c1Cl
CC(C)C[C@@H](C[NH3+])CN1CCOCC1 CC(C)[*:1] [NH3+]C[C@@H](CN1CCOCC1)C[*:1]
CC(C)C[C@@H](C[NH3+])CN1CCOCC1 CC(C)C[*:1] [NH3+]C[C@@H](CN1CCOCC1)[*:1]
O=C(NOCc1ccccc1)c1ccc(N2C(=O)CCC2=O)cc1 c1ccc(cc1)[*:1] O=C(NOC[*:1])c1ccc(cc1)N1C(=O)CCC1=O
O=C(NOCc1ccccc1)c1ccc(N2C(=O)CCC2=O)cc1 c1ccc(cc1)C[*:1] O=C(NO[*:1])c1ccc(cc1)N1C(=O)CCC1=O
O=C(NOCc1ccccc1)c1ccc(N2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] O=C(NOCc1ccccc1)c1ccc(cc1)[*:1]
CCC(=O)Nc1cc(C(=O)N(C)Cc2ccc(F)cc2)nn1-c1ccccc1 Fc1ccc(cc1)C[*:1] CCC(=O)Nc1cc(nn1-c1ccccc1)C(=O)N(C)[*:1]
CCC(=O)Nc1cc(C(=O)N(C)Cc2ccc(F)cc2)nn1-c1ccccc1 CCC(=O)N[*:1] CN(Cc1ccc(F)cc1)C(=O)c1cc(n(n1)-c1ccccc1)[*:1]
CCC(=O)Nc1cc(C(=O)N(C)Cc2ccc(F)cc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCC(=O)Nc1cc(nn1[*:1])C(=O)N(C)Cc1ccc(F)cc1
CCC(=O)Nc1cc(C(=O)N(C)Cc2ccc(F)cc2)nn1-c1ccccc1 Fc1ccc(cc1)[*:1] CCC(=O)Nc1cc(nn1-c1ccccc1)C(=O)N(C)C[*:1]
CCCCCC[C@H]1OCC[C@H]1C(=O)[O-] O=C([O-])[*:1] CCCCCC[C@H]1OCC[C@@H]1[*:1]
CCCCCC[C@H]1OCC[C@H]1C(=O)[O-] CCC[*:1] O=C([O-])[C@@H]1CCO[C@@H]1CCC[*:1]
CCCCCC[C@H]1OCC[C@H]1C(=O)[O-] CCCC[*:1] O=C([O-])[C@@H]1CCO[C@@H]1CC[*:1]
CC1(C)C[C@H](NC(=O)c2ccccc2)[C@@]2(CCC(=O)NCc3cccnc3)CC[C@](C)(O)C[C@@H]12 c1cncc(c1)[*:1] CC1(C)C[C@H](NC(=O)c2ccccc2)[C@@]2(CCC(=O)NC[*:1])CC[C@](C)(O)C[C@@H]12
CC1(C)C[C@H](NC(=O)c2ccccc2)[C@@]2(CCC(=O)NCc3cccnc3)CC[C@](C)(O)C[C@@H]12 c1ccc(cc1)[*:1] CC1(C)C[C@H](NC(=O)[*:1])[C@@]2(CCC(=O)NCc3cccnc3)CC[C@](C)(O)C[C@@H]12
CC1(C)C[C@H](NC(=O)c2ccccc2)[C@@]2(CCC(=O)NCc3cccnc3)CC[C@](C)(O)C[C@@H]12 O=C(NCc1cccnc1)[*:1] CC1(C)C[C@H](NC(=O)c2ccccc2)[C@]2(CC[C@](C)(O)C[C@@H]12)CC[*:1]
CC1(C)C[C@H](NC(=O)c2ccccc2)[C@@]2(CCC(=O)NCc3cccnc3)CC[C@](C)(O)C[C@@H]12 O=C(C[*:1])NCc1cccnc1 CC1(C)C[C@H](NC(=O)c2ccccc2)[C@]2(CC[C@](C)(O)C[C@@H]12)C[*:1]
CC1(C)C[C@H](NC(=O)c2ccccc2)[C@@]2(CCC(=O)NCc3cccnc3)CC[C@](C)(O)C[C@@H]12 O=C(N[*:1])c1ccccc1 CC1(C)C[C@H]([C@@]2(CCC(=O)NCc3cccnc3)CC[C@](C)(O)C[C@@H]12)[*:1]
CC1(C)C[C@H](NC(=O)c2ccccc2)[C@@]2(CCC(=O)NCc3cccnc3)CC[C@](C)(O)C[C@@H]12 c1cncc(c1)C[*:1] CC1(C)C[C@H](NC(=O)c2ccccc2)[C@@]2(CCC(=O)N[*:1])CC[C@](C)(O)C[C@@H]12
CN(C(=O)CSc1ccc2c(c1)OCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CN(C(=O)CSc1ccc2OCCOc2c1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CN(C(=O)CSc1ccc2c(c1)OCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1cc2OCCOc2cc1[*:1] CN(C(=O)CS[*:1])c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
CN(C(=O)CSc1ccc2c(c1)OCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CN(C(=O)CSc1ccc2OCCOc2c1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 O=C(C[*:1])c1ccc(Br)cc1 O=C(O[*:1])c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O
O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O
O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 O=C(c1ccc(Br)cc1)[*:1] O=C(OC[*:1])c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O
O=C(NCc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)Nc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(NCc1ccc(cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N[*:1]
CCCn1ncnc1[C@@H](C)NC(=O)C1(Nc2ccc(C)cc2)CCCC1 CCC[*:1] Cc1ccc(cc1)NC1(CCCC1)C(=O)N[C@H](C)c1ncnn1[*:1]
CCCn1ncnc1[C@@H](C)NC(=O)C1(Nc2ccc(C)cc2)CCCC1 CCCn1ncnc1[*:1] Cc1ccc(cc1)NC1(CCCC1)C(=O)N[C@H](C)[*:1]
CCCn1ncnc1[C@@H](C)NC(=O)C1(Nc2ccc(C)cc2)CCCC1 Cc1ccc(cc1)[*:1] CCCn1ncnc1[C@@H](C)NC(=O)C1(CCCC1)N[*:1]
CCCn1ncnc1[C@@H](C)NC(=O)C1(Nc2ccc(C)cc2)CCCC1 Cc1ccc(cc1)N[*:1] CCCn1ncnc1[C@@H](C)NC(=O)C1(CCCC1)[*:1]
Cc1ccc(CC(=O)NCCCOc2ccccc2)cn1 c1ccc(cc1)O[*:1] Cc1ccc(cn1)CC(=O)NCCC[*:1]
Cc1ccc(CC(=O)NCCCOc2ccccc2)cn1 c1ccc(cc1)[*:1] Cc1ccc(cn1)CC(=O)NCCCO[*:1]
Cc1ccc(CC(=O)NCCCOc2ccccc2)cn1 Cc1ccc(cn1)[*:1] O=C(C[*:1])NCCCOc1ccccc1
Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)[*:1]
O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 C1C[C@H](CO1)O[*:1] O=c1ccc2c(CCC[C@@H]2[NH2+]Cc2ccnc(c2)[*:1])[nH]1
O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] O=c1ccc2c(CCC[C@@H]2[NH2+]Cc2ccnc(c2)O[*:1])[nH]1
CC(C)(O)c1cn(C2CCN(C(=O)C3Cc4ccccc4C3)CC2)nn1 CC(C)(O)[*:1] O=C(C1Cc2ccccc2C1)N1CCC(CC1)n1cc(nn1)[*:1]
CCO[C@H]1CC(C)(C)Oc2ccc3oc(C(=O)N4CCc5ccccc5C4)c(C)c3c21 CCO[*:1] Cc1c(oc2ccc3OC(C)(C)C[C@@H](c3c12)[*:1])C(=O)N1CCc2ccccc2C1
COc1nn(C)cc1C(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2 COc1nn(C)cc1[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
Cc1cccc(NCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1C Cc1cccc(c1C)[*:1] O=C(CN[*:1])Nc1cccc(c1)OC[C@H]1CCCO1
Cc1cccc(NCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1C C1CO[C@H](C1)CO[*:1] Cc1cccc(NCC(=O)Nc2cccc(c2)[*:1])c1C
Cc1ccc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 Cc1ccc(C)c(c1)[*:1] O=C(CO[*:1])N[C@@H](Cc1ccccc1)C(=O)[O-]
Cc1ccc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)OCC(=O)N[C@@H](C(=O)[O-])[*:1]
Cc1ccc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)OCC(=O)N[C@@H](Cc1ccccc1)[*:1]
Cc1ccc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)OCC(=O)N[C@@H](C[*:1])C(=O)[O-]
Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cs1 Cc1nc(cs1)C[*:1] Cc1cc(ccc1Oc1cccnc1)NC(=O)c1ccccc1S[*:1]
Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cs1 c1cncc(c1)[*:1] Cc1nc(cs1)CSc1ccccc1C(=O)Nc1ccc(O[*:1])c(C)c1
Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cs1 c1cncc(c1)O[*:1] Cc1nc(cs1)CSc1ccccc1C(=O)Nc1ccc(c(C)c1)[*:1]
Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cs1 Cc1nc(cs1)[*:1] Cc1cc(ccc1Oc1cccnc1)NC(=O)c1ccccc1SC[*:1]
Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cs1 Cc1nc(cs1)CS[*:1] Cc1cc(ccc1Oc1cccnc1)NC(=O)c1ccccc1[*:1]
CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC CCCO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1
CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC CCC[*:1] COc1cc(cc(Cl)c1O[*:1])C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1
CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC c1ccc2[nH]c(nc2c1)[*:1] CCCOc1c(Cl)cc(cc1OC)C(=O)N1CCC[C@H]1[*:1]
COc1ccnc(N2CCN(C(=O)CCCc3cc(C)sc3C)CC2)n1 COc1ccnc(n1)[*:1] Cc1cc(CCCC(=O)N2CCN(CC2)[*:1])c(C)s1
COc1ccnc(N2CCN(C(=O)CCCc3cc(C)sc3C)CC2)n1 Cc1cc(c(C)s1)[*:1] COc1ccnc(n1)N1CCN(CC1)C(=O)CCC[*:1]
COc1ccnc(N2CCN(C(=O)CCCc3cc(C)sc3C)CC2)n1 Cc1cc(C[*:1])c(C)s1 COc1ccnc(n1)N1CCN(CC1)C(=O)CC[*:1]
CC(C)(O)CSCCNC(=O)Cc1ccc(F)c(F)c1 CC(C)(O)C[*:1] O=C(Cc1ccc(F)c(F)c1)NCCS[*:1]
CC(C)(O)CSCCNC(=O)Cc1ccc(F)c(F)c1 CC(C)(O)CS[*:1] O=C(Cc1ccc(F)c(F)c1)NCC[*:1]
CC(C)(O)CSCCNC(=O)Cc1ccc(F)c(F)c1 CC(C)(O)[*:1] O=C(Cc1ccc(F)c(F)c1)NCCSC[*:1]
Cc1n[nH]c(SCCC(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)n1 Cc1n[nH]c(n1)[*:1] C[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)CCS[*:1]
Cc1n[nH]c(SCCC(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)n1 c1ccc(cc1)[*:1] Cc1n[nH]c(n1)SCCC(=O)N1CC[C@H]([C@H](C)C1)[*:1]
Cc1n[nH]c(SCCC(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)n1 Cc1n[nH]c(n1)SC[*:1] C[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)C[*:1]
COc1cc(C)ccc1NC(=O)c1cc[nH]n1 c1cc(n[nH]1)[*:1] COc1cc(C)ccc1NC(=O)[*:1]
CSCc1cc(F)ccc1CN[C@H](C(=O)NC(N)=O)c1ccccc1 NC(=O)NC(=O)[*:1] CSCc1cc(F)ccc1CN[C@H](c1ccccc1)[*:1]
CSCc1cc(F)ccc1CN[C@H](C(=O)NC(N)=O)c1ccccc1 CSC[*:1] NC(=O)NC(=O)[C@@H](NCc1ccc(F)cc1[*:1])c1ccccc1
CSCc1cc(F)ccc1CN[C@H](C(=O)NC(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CSCc1cc(F)ccc1CN[C@H](C(=O)NC(N)=O)[*:1]
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1N c1ccc(cc1)[*:1] C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(n1N)[*:1]
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1N C=C(C)C[*:1] CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1N)[*:1]
C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1N C=C(C)[*:1] CCN(C[*:1])C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1N
C[NH+](C)CCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21 Clc1cccc(c1)[*:1] C[NH+](C)CCNC(=O)C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
O=C(NC1CC1)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 C1CC1[*:1] O=C(N[*:1])c1cccnc1Oc1ccc(cc1)[N-]S(=O)(=O)c1ccc(Cl)s1
O=C(NC1CC1)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 O=C(NC1CC1)[*:1] O=S(=O)([N-]c1ccc(cc1)Oc1ncccc1[*:1])c1ccc(Cl)s1
O=C(NC1CC1)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] O=C(NC1CC1)c1cccnc1Oc1ccc(cc1)[N-]S(=O)(=O)[*:1]
Cc1nonc1NC(=O)c1ccn(-c2ccccc2F)n1 Fc1ccccc1[*:1] Cc1nonc1NC(=O)c1ccn(n1)[*:1]
Cc1nonc1NC(=O)c1ccn(-c2ccccc2F)n1 Cc1nonc1[*:1] O=C(N[*:1])c1ccn(n1)-c1ccccc1F
Cc1ccc(C[NH2+]C[C@H]2Cc3[nH+]c[nH]c3CN2)o1 Cc1ccc(o1)[*:1] c1[nH]c2CN[C@@H](C[NH2+]C[*:1])Cc2[nH+]1
Cc1ccc2ncc(C(=O)N3CSC[C@@H]3C(=O)NCCC(C)C)n2c1 CC(C)[*:1] Cc1ccc2ncc(C(=O)N3CSC[C@@H]3C(=O)NCC[*:1])n2c1
Cc1ccc2ncc(C(=O)N3CSC[C@@H]3C(=O)NCCC(C)C)n2c1 CC(C)CCNC(=O)[*:1] Cc1ccc2ncc(C(=O)N3CSC[C@H]3[*:1])n2c1
Cc1ccc2ncc(C(=O)N3CSC[C@@H]3C(=O)NCCC(C)C)n2c1 CC(C)CC[*:1] Cc1ccc2ncc(C(=O)N3CSC[C@@H]3C(=O)N[*:1])n2c1
Cc1ccc2ncc(C(=O)N3CSC[C@@H]3C(=O)NCCC(C)C)n2c1 CC(C)C[*:1] Cc1ccc2ncc(C(=O)N3CSC[C@@H]3C(=O)NC[*:1])n2c1
O=C1COCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C1COCCN1Cc1ccc(Cl)c(c1)[*:1]
COc1cccc([C@H]2CC(=O)NC3=NC(c4ccccc4)=NC(=O)[C@@H]32)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)[*:1]
COc1cccc([C@H]2CC(=O)NC3=NC(c4ccccc4)=NC(=O)[C@@H]32)c1 COc1cccc(c1)[*:1] O=C1C[C@@H]([C@H]2C(=O)N=C(N=C2N1)c1ccccc1)[*:1]
CCOC(=O)N[C@@H]1CCCN(Cn2nc(C3CC3)sc2=S)C1 C1CC1[*:1] CCOC(=O)N[C@@H]1CCCN(C1)Cn1nc(sc1=S)[*:1]
CCOC(=O)N[C@@H]1CCCN(Cn2nc(C3CC3)sc2=S)C1 CCOC(=O)N[*:1] S=c1sc(nn1CN1CCC[C@H](C1)[*:1])C1CC1
O=C(CCS[C@H]1CCc2ccccc2NC1=O)NC1CC1 C1CC1[*:1] O=C(CCS[C@H]1CCc2ccccc2NC1=O)N[*:1]
O=C(CCS[C@H]1CCc2ccccc2NC1=O)NC1CC1 O=C(NC1CC1)[*:1] O=C1Nc2ccccc2CC[C@@H]1SCC[*:1]
O=C(CCS[C@H]1CCc2ccccc2NC1=O)NC1CC1 O=C(C[*:1])NC1CC1 O=C1Nc2ccccc2CC[C@@H]1SC[*:1]
CCC[C@H](C)NC(=O)[C@H]1CCCN(Cn2ncsc2=S)C1 CCC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)Cn1ncsc1=S
CCC[C@H](C)NC(=O)[C@H]1CCCN(Cn2ncsc2=S)C1 S=c1scnn1C[*:1] CCC[C@H](C)NC(=O)[C@H]1CCCN(C1)[*:1]
CCC[C@H](C)NC(=O)[C@H]1CCCN(Cn2ncsc2=S)C1 S=c1scnn1[*:1] CCC[C@H](C)NC(=O)[C@H]1CCCN(C1)C[*:1]
CCC[C@H](C)NC(=O)[C@H]1CCCN(Cn2ncsc2=S)C1 CCC[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)Cn1ncsc1=S)[*:1]
CC(C)NC(=O)CN1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] CC(C)NC(=O)CN1CCN(CC1)CC(=O)NC[*:1]
CC(C)NC(=O)CN1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 CC(C)NC(=O)C[*:1] O=C(CN1CCN(CC1)[*:1])NCc1ccc(Cl)s1
CC(C)NC(=O)CN1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)CC(=O)N[*:1])NCc1ccc(Cl)s1
CC(C)NC(=O)CN1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 Clc1ccc(C[*:1])s1 CC(C)NC(=O)CN1CCN(CC1)CC(=O)N[*:1]
CC(C)NC(=O)CN1CCN(CC(=O)NCc2ccc(Cl)s2)CC1 CC(C)NC(=O)[*:1] O=C(CN1CCN(CC1)C[*:1])NCc1ccc(Cl)s1
C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 c1cc(cs1)C[*:1] C[C@@H](N(C)C(=O)Nc1cnn(c1)C[C@H]1CCCO1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1cnn(c1)C[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1cnn(c1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N(C)C(=O)Nc1cnn(c1)C[C@H]1CCCO1
C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C[C@@H](Cc1ccsc1)[*:1] CN(C(=O)Nc1cnn(c1)C[C@H]1CCCO1)[*:1]
CCN(C)c1cc(Br)ccc1C[NH2+]C1CC1 CCN(C)[*:1] Brc1ccc(C[NH2+]C2CC2)c(c1)[*:1]
CCN(C)c1cc(Br)ccc1C[NH2+]C1CC1 C1CC1[*:1] CCN(C)c1cc(Br)ccc1C[NH2+][*:1]
Clc1ccc(Cl)c(-c2ccc(C[NH2+]CCN3CCOCC3)o2)c1 C1CN(CCO1)[*:1] Clc1ccc(Cl)c(c1)-c1ccc(C[NH2+]CC[*:1])o1
Clc1ccc(Cl)c(-c2ccc(C[NH2+]CCN3CCOCC3)o2)c1 C1CN(CCO1)C[*:1] Clc1ccc(Cl)c(c1)-c1ccc(C[NH2+]C[*:1])o1
CCOc1cc(/C=N/NC(N)=S)cc(Cl)c1OC(C)C CC(C)[*:1] CCOc1cc(/C=N/NC(N)=S)cc(Cl)c1O[*:1]
CCOc1cc(/C=N/NC(N)=S)cc(Cl)c1OC(C)C CCO[*:1] CC(C)Oc1c(Cl)cc(/C=N/NC(N)=S)cc1[*:1]
CCOc1cc(/C=N/NC(N)=S)cc(Cl)c1OC(C)C CC(C)O[*:1] CCOc1cc(/C=N/NC(N)=S)cc(Cl)c1[*:1]
CCOc1cc(/C=N/NC(N)=S)cc(Cl)c1OC(C)C NC(=S)NN=C[*:1] CCOc1cc(cc(Cl)c1OC(C)C)[*:1]
S=c1n(C[NH+]2CC=C(c3ccccc3)CC2)nc(-c2cccnc2)n1Cc1ccccc1 c1ccc(cc1)[*:1] S=c1n(C[NH+]2CC=C(CC2)[*:1])nc(-c2cccnc2)n1Cc1ccccc1
S=c1n(C[NH+]2CC=C(c3ccccc3)CC2)nc(-c2cccnc2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] S=c1n(C[NH+]2CC=C(CC2)c2ccccc2)nc(-c2cccnc2)n1[*:1]
S=c1n(C[NH+]2CC=C(c3ccccc3)CC2)nc(-c2cccnc2)n1Cc1ccccc1 c1cncc(c1)[*:1] S=c1n(C[NH+]2CC=C(CC2)c2ccccc2)nc(n1Cc1ccccc1)[*:1]
S=c1n(C[NH+]2CC=C(c3ccccc3)CC2)nc(-c2cccnc2)n1Cc1ccccc1 c1ccc(cc1)[*:1] S=c1n(C[NH+]2CC=C(CC2)c2ccccc2)nc(-c2cccnc2)n1C[*:1]
CC(C)NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C CC(C)[*:1] C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)C1 Fc1cc(F)cc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)C1 CCOC(=O)[*:1] O=C(Cn1c(=O)n(-c2cc(F)cc(F)c2)c(=O)c2sccc21)N1CCC[C@@H](C1)[*:1]
CCC[NH2+][C@H](c1c(F)cccc1F)[C@@H]1CN(C)CCO1 CCC[*:1] CN1CCO[C@@H](C1)[C@H]([NH2+][*:1])c1c(F)cccc1F
CCOC[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)C1 CCO[*:1] O=C([C@H]1C[C@@H]1c1ccccc1F)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)C1 CCOC[*:1] O=C([C@H]1C[C@@H]1c1ccccc1F)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)C1 Fc1ccccc1[*:1] CCOC[C@H]1CCN(C1)C(=O)[C@H]1C[C@H]1[*:1]
O=C(NCc1nnc2n1CCC2)c1cc(-c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] O=C(NCc1nnc2CCCn21)c1cc([nH]n1)[*:1]
COc1ccccc1[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1noc(C)n1 COc1ccccc1[*:1] Cc1nc(no1)[C@H]([NH2+]Cc1ccc2ccccc2c1)[*:1]
CC(C)(C)c1c(C(=O)N/N=C/c2ccccc2C(F)(F)F)nnn1-c1nonc1N Nc1nonc1[*:1] CC(C)(C)c1c(nnn1[*:1])C(=O)N/N=C/c1ccccc1C(F)(F)F
CC(C)(C)c1c(C(=O)N/N=C/c2ccccc2C(F)(F)F)nnn1-c1nonc1N CC(C)(C)[*:1] Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2C(F)(F)F)c1[*:1]
CC(C)(C)c1c(C(=O)N/N=C/c2ccccc2C(F)(F)F)nnn1-c1nonc1N FC(F)(F)[*:1] CC(C)(C)c1c(nnn1-c1nonc1N)C(=O)N/N=C/c1ccccc1[*:1]
CC(C)(C)c1c(C(=O)N/N=C/c2ccccc2C(F)(F)F)nnn1-c1nonc1N FC(F)(F)c1ccccc1[*:1] CC(C)(C)c1c(nnn1-c1nonc1N)C(=O)NN=C[*:1]
CCSC[C@H](C)N(C)C(=O)CCc1c[nH]c2ccccc12 CCSC[*:1] C[C@H](N(C)C(=O)CCc1c[nH]c2ccccc12)[*:1]
CCSC[C@H](C)N(C)C(=O)CCc1c[nH]c2ccccc12 CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)CCc1c[nH]c2ccccc12
C[C@@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N1CCCc2ccccc21 Fc1ccc(cc1)[*:1] C[C@@H](OC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1])C(=O)N1CCCc2ccccc21
Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1[*:1])-c1ccco1)C(=O)NCc1ccc(Cl)cc1
Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)N1C(=O)c2cc(nn2C[C@]1(C)C(=O)NC[*:1])-c1ccco1
Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)C[*:1] Cc1ccc(c(C)c1)N1C(=O)c2cc(nn2C[C@]1(C)C(=O)N[*:1])-c1ccco1
Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)c(C)c1 O=C(NCc1ccc(Cl)cc1)[*:1] Cc1ccc(c(C)c1)N1C(=O)c2cc(nn2C[C@@]1(C)[*:1])-c1ccco1
Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)c(C)c1 c1coc(c1)[*:1] Cc1ccc(c(C)c1)N1C(=O)c2cc(nn2C[C@]1(C)C(=O)NCc1ccc(Cl)cc1)[*:1]
CCN(C(=O)NCc1ccccc1OC)[C@@H](C)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCN(C(=O)NCc1ccccc1OC)[C@@H](C)[*:1]
CCN(C(=O)NCc1ccccc1OC)[C@@H](C)c1ccc(C#N)cc1 COc1ccccc1[*:1] CCN(C(=O)NC[*:1])[C@@H](C)c1ccc(C#N)cc1
O=C(CNC(=O)[C@@H](Oc1ccccc1)c1ccccc1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(N[*:1])[C@@H](Oc1ccccc1)c1ccccc1
O=C(CNC(=O)[C@@H](Oc1ccccc1)c1ccccc1)NC1CC1 c1ccc(cc1)O[*:1] O=C(CNC(=O)[C@@H](c1ccccc1)[*:1])NC1CC1
O=C(CNC(=O)[C@@H](Oc1ccccc1)c1ccccc1)NC1CC1 c1ccc(cc1)[*:1] O=C(CNC(=O)[C@@H](O[*:1])c1ccccc1)NC1CC1
O=C(CNC(=O)[C@@H](Oc1ccccc1)c1ccccc1)NC1CC1 C1CC1[*:1] O=C(CNC(=O)[C@@H](Oc1ccccc1)c1ccccc1)N[*:1]
O=C(CNC(=O)[C@@H](Oc1ccccc1)c1ccccc1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NC[*:1])[C@@H](Oc1ccccc1)c1ccccc1
O=C(CNC(=O)[C@@H](Oc1ccccc1)c1ccccc1)NC1CC1 c1ccc(cc1)[*:1] O=C(CNC(=O)[C@@H](Oc1ccccc1)[*:1])NC1CC1
CCOCCCNC(=O)Nc1ccc2c(c1)CCO2 CCOCC[*:1] O=C(NC[*:1])Nc1ccc2OCCc2c1
CCOCCCNC(=O)Nc1ccc2c(c1)CCO2 CCOCCC[*:1] O=C(Nc1ccc2OCCc2c1)N[*:1]
CCOCCCNC(=O)Nc1ccc2c(c1)CCO2 CCOC[*:1] O=C(NCC[*:1])Nc1ccc2OCCc2c1
CCOCCCNC(=O)Nc1ccc2c(c1)CCO2 CCO[*:1] O=C(NCCC[*:1])Nc1ccc2OCCc2c1
CC(C)[C@H](C(=O)[O-])[C@H](C)[C@@H](C)O O=C([O-])[*:1] CC(C)[C@H]([C@H](C)[C@@H](C)O)[*:1]
CC(C)[C@H](C(=O)[O-])[C@H](C)[C@@H](C)O C[C@@H](O)[*:1] CC(C)[C@H](C(=O)[O-])[C@H](C)[*:1]
CC(C)[C@H](C(=O)[O-])[C@H](C)[C@@H](C)O CC(C)[*:1] C[C@@H]([C@@H](C(=O)[O-])[*:1])[C@@H](C)O
CC(C)C[NH2+]C[C@]1(C[C@H]2Cc3ccccc3S2)CCOC1 CC(C)C[*:1] c1ccc2S[C@H](Cc2c1)C[C@]1(CCOC1)C[NH2+][*:1]
CC(C)C[NH2+]C[C@]1(C[C@H]2Cc3ccccc3S2)CCOC1 CC(C)[*:1] c1ccc2S[C@H](Cc2c1)C[C@]1(CCOC1)C[NH2+]C[*:1]
COc1cc(NC(=O)c2ccccc2C(F)(F)F)cc(OC)c1 FC(F)(F)[*:1] COc1cc(cc(c1)OC)NC(=O)c1ccccc1[*:1]
Cc1[nH]c2cc(F)c(F)c(F)c2c1C[NH2+]C1CC1 C1CC1[*:1] Cc1[nH]c2cc(F)c(F)c(F)c2c1C[NH2+][*:1]
O=S(=O)(Cc1ccccc1)N1CCn2c(cc3cc(F)ccc32)C1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])N1CCn2c(cc3cc(F)ccc32)C1
O=S(=O)(Cc1ccccc1)N1CCn2c(cc3cc(F)ccc32)C1 c1ccc(cc1)C[*:1] O=S(=O)(N1CCn2c(cc3cc(F)ccc32)C1)[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)NNC(=O)c2cccnc2)no1 Cc1cc(no1)[*:1] C[C@H](SCC(=O)NNC(=O)c1cccnc1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)NNC(=O)c2cccnc2)no1 c1cncc(c1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)SCC(=O)NNC(=O)[*:1]
CN(C)C(=O)c1ccc(NC2(C[NH3+])CCCCC2)nn1 CN(C)C(=O)[*:1] [NH3+]CC1(CCCCC1)Nc1ccc(nn1)[*:1]
COCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 COC[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(Cl)c(Cl)c1)[*:1]
COCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 COCC(=O)N[*:1] Clc1ccc(cc1Cl)C[NH+]1CCC(CC1)[*:1]
CCN[C@@H](c1ccc(CC)cc1)[C@H]1CN(CC)CCO1 CCN[*:1] CCc1ccc(cc1)[C@@H]([C@H]1CN(CC)CCO1)[*:1]
O=C(C[C@H](O)c1cccc(F)c1)N1CCC[C@H]1c1cccc2c1OCCO2 O[C@H](c1cccc(F)c1)[*:1] O=C(C[*:1])N1CCC[C@H]1c1cccc2OCCOc21
O=C(C[C@H](O)c1cccc(F)c1)N1CCC[C@H]1c1cccc2c1OCCO2 Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])N1CCC[C@H]1c1cccc2OCCOc21
COC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(C)n[nH]c3c2)o1 COC(=O)[*:1] Cc1n[nH]c2cc(ccc12)NS(=O)(=O)c1ccc(o1)[*:1]
Cc1ccccc1-n1c(SCc2ccccn2)nnc1-c1ccccc1F Fc1ccccc1[*:1] Cc1ccccc1-n1c(nnc1[*:1])SCc1ccccn1
Cc1ccccc1-n1c(SCc2ccccn2)nnc1-c1ccccc1F c1ccc(C[*:1])nc1 Cc1ccccc1-n1c(nnc1-c1ccccc1F)S[*:1]
Cc1ccccc1-n1c(SCc2ccccn2)nnc1-c1ccccc1F c1ccc(nc1)[*:1] Cc1ccccc1-n1c(nnc1-c1ccccc1F)SC[*:1]
Cc1ccccc1-n1c(SCc2ccccn2)nnc1-c1ccccc1F Cc1ccccc1[*:1] Fc1ccccc1-c1nnc(SCc2ccccn2)n1[*:1]
Cc1ccccc1-n1c(SCc2ccccn2)nnc1-c1ccccc1F c1ccc(CS[*:1])nc1 Cc1ccccc1-n1c(nnc1[*:1])-c1ccccc1F
O=C(c1cccc(S(=O)(=O)NCCCn2ccnn2)c1)N1CCOCC1 c1cn(C[*:1])nn1 O=C(c1cccc(c1)S(=O)(=O)NCC[*:1])N1CCOCC1
O=C(c1cccc(S(=O)(=O)NCCCn2ccnn2)c1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)(NCCCn1ccnn1)c1cccc(c1)[*:1]
O=C(c1cccc(S(=O)(=O)NCCCn2ccnn2)c1)N1CCOCC1 c1cn(nn1)[*:1] O=C(c1cccc(c1)S(=O)(=O)NCCC[*:1])N1CCOCC1
O=C(c1cccc(S(=O)(=O)NCCCn2ccnn2)c1)N1CCOCC1 c1cn(CCC[*:1])nn1 O=C(c1cccc(c1)S(=O)(=O)N[*:1])N1CCOCC1
O=C(c1cccc(S(=O)(=O)NCCCn2ccnn2)c1)N1CCOCC1 c1cn(CC[*:1])nn1 O=C(c1cccc(c1)S(=O)(=O)NC[*:1])N1CCOCC1
CCOc1ccc(C#N)cc1NCC(=O)NCC(=O)N1CCCC1 CCO[*:1] N#Cc1ccc(c(c1)NCC(=O)NCC(=O)N1CCCC1)[*:1]
CCOc1ccc(C#N)cc1NCC(=O)NCC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 CCOc1ccc(C#N)cc1NCC(=O)N[*:1]
CCOc1ccc(C#N)cc1NCC(=O)NCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CCOc1ccc(C#N)cc1NCC(=O)NC[*:1]
O=C(NCCc1cccc([N+](=O)[O-])c1)c1c(O)cccc1O O=[N+]([O-])[*:1] O=C(NCCc1cccc(c1)[*:1])c1c(O)cccc1O
NC(=O)c1ccc(N[C@H]2C=C[C@@H](C(=O)[O-])C2)cc1Cl O=C([O-])[*:1] NC(=O)c1ccc(cc1Cl)N[C@H]1C=C[C@@H](C1)[*:1]
NC(=O)c1ccc(N[C@H]2C=C[C@@H](C(=O)[O-])C2)cc1Cl NC(=O)[*:1] O=C([O-])[C@@H]1C=C[C@@H](C1)Nc1ccc(c(Cl)c1)[*:1]
C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 O=C(NC1CCCC1)[*:1] C[C@H](N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F)[*:1]
C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] C[C@H](C(=O)NC1CCCC1)N1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 C1CCC(C1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F
COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 Fc1ccc(cc1Cl)[*:1] COc1ccc(cc1)[C@@H]1[C@@H](C(=O)N[*:1])c2cc(OC)c(cc2C(=O)N1C)OC
COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 COc1ccc(cc1)[*:1] COc1cc2C(=O)N(C)[C@@H]([C@@H](C(=O)Nc3ccc(F)c(Cl)c3)c2cc1OC)[*:1]
COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 O=C(Nc1ccc(F)c(Cl)c1)[*:1] COc1ccc(cc1)[C@@H]1[C@@H](c2cc(OC)c(cc2C(=O)N1C)OC)[*:1]
COc1ccc(CN[C@H](C)[C@H](C)c2ccccc2)cc1C#N c1ccc(cc1)[*:1] COc1ccc(cc1C#N)CN[C@H](C)[C@H](C)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 O=C(C[*:1])NC1CC1 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 CC(C)(C)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1])NC1CC1
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 O=C(NC1CC1)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1]
CCc1ccc2c(CSc3ccc(Cl)nn3)cc(=O)oc2c1 Clc1ccc(nn1)[*:1] CCc1ccc2c(cc(=O)oc2c1)CS[*:1]
CCC[NH2+][C@@H](C)c1nnc([C@]2(C)CCCO2)o1 CCC[*:1] C[C@H]([NH2+][*:1])c1nnc(o1)[C@]1(C)CCCO1
O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(C2CC2)nc2ccc(F)cc12 C1CC1[*:1] O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(nc2ccc(F)cc12)[*:1]
O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(C2CC2)nc2ccc(F)cc12 O=c1[nH]nc(CC[*:1])[nH]1 O=C(NC[*:1])c1cc(nc2ccc(F)cc12)C1CC1
O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(C2CC2)nc2ccc(F)cc12 O=c1[nH]nc(C[*:1])[nH]1 O=C(NCC[*:1])c1cc(nc2ccc(F)cc12)C1CC1
O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(C2CC2)nc2ccc(F)cc12 O=c1[nH]nc([nH]1)[*:1] O=C(NCCC[*:1])c1cc(nc2ccc(F)cc12)C1CC1
Cc1c(C(=O)Nc2ccccc2Cc2ccccc2)cnn1-c1ccncc1 c1ccc(cc1)C[*:1] Cc1c(cnn1-c1ccncc1)C(=O)Nc1ccccc1[*:1]
Cc1c(C(=O)Nc2ccccc2Cc2ccccc2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccccc1Cc1ccccc1
Cc1c(C(=O)Nc2ccccc2Cc2ccccc2)cnn1-c1ccncc1 c1ccc(cc1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)Nc1ccccc1C[*:1]
CC(C)c1n[nH]c([C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)n1 CC(C)c1n[nH]c(n1)[*:1] Cn1nc(ccc1=O)C(=O)N1CCO[C@H](C1)[*:1]
CC(C)c1n[nH]c([C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)n1 CC(C)[*:1] Cn1nc(ccc1=O)C(=O)N1CCO[C@H](C1)c1nc(n[nH]1)[*:1]
CC(C)c1n[nH]c([C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)n1 Cn1nc(ccc1=O)[*:1] CC(C)c1n[nH]c(n1)[C@H]1CN(CCO1)C(=O)[*:1]
COc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)n[nH]2)c1 Clc1ccccc1[*:1] COc1cccc(c1)-c1cc(n[nH]1)C(=O)N1CCN(CC1)[*:1]
COc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)n[nH]2)c1 COc1cccc(c1)[*:1] O=C(c1cc([nH]n1)[*:1])N1CCN(CC1)c1ccccc1Cl
O=C(Nn1cnc2ccccc2c1=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nn1cnc2ccccc2c1=O)c1ccccc1[*:1]
NS(=O)(=O)c1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 c1coc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
NS(=O)(=O)c1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(N[*:1])c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccco1
NS(=O)(=O)c1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 FC(F)(F)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc2nc(cc(n2n1)[*:1])-c1ccco1
NS(=O)(=O)c1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccco1
COc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc2ccccc2nc1N1CCCC1)[*:1]
COc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1 C1CCN(C1)[*:1] COc1ccc(cc1)C(=O)Nc1nc2ccccc2nc1[*:1]
Cc1nc(CN2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)no1 Cc1nc(no1)[*:1] O=C(c1cccc(c1)-n1cccn1)N1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)no1 c1cnn(c1)[*:1] Cc1nc(CN2CCN(CC2)C(=O)c2cccc(c2)[*:1])no1
Cc1nc(CN2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)no1 Cc1nc(C[*:1])no1 O=C(c1cccc(c1)-n1cccn1)N1CCN(CC1)[*:1]
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccco2)CC1 c1coc(c1)C[*:1] COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC1)[*:1]
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccco2)CC1 c1coc(c1)[*:1] COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])c2ccc([S@](C)=O)cc2)cc1 Cc1ccc(cc1)[*:1] C[S@](=O)c1ccc(cc1)/C([O-])=N/S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])c2ccc([S@](C)=O)cc2)cc1 C[S@](=O)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])c1ccc(cc1)[*:1]
OCCSc1nnc(N2CCOCC2)n1-c1ccccc1 C1CN(CCO1)[*:1] OCCSc1nnc(n1-c1ccccc1)[*:1]
OCCSc1nnc(N2CCOCC2)n1-c1ccccc1 c1ccc(cc1)[*:1] OCCSc1nnc(N2CCOCC2)n1[*:1]
OCCSc1nnc(N2CCOCC2)n1-c1ccccc1 OCCS[*:1] c1ccc(cc1)-n1c(nnc1[*:1])N1CCOCC1
OCCSc1nnc(N2CCOCC2)n1-c1ccccc1 OCC[*:1] c1ccc(cc1)-n1c(nnc1N1CCOCC1)S[*:1]
CN(C)C(=O)CCNC(=O)N(Cc1cccc(F)c1)C1CC1 CN(C)C(=O)C[*:1] O=C(NC[*:1])N(Cc1cccc(F)c1)C1CC1
CN(C)C(=O)CCNC(=O)N(Cc1cccc(F)c1)C1CC1 CN(C)C(=O)CC[*:1] O=C(N[*:1])N(Cc1cccc(F)c1)C1CC1
CN(C)C(=O)CCNC(=O)N(Cc1cccc(F)c1)C1CC1 C1CC1[*:1] CN(C)C(=O)CCNC(=O)N(Cc1cccc(F)c1)[*:1]
CN(C)C(=O)CCNC(=O)N(Cc1cccc(F)c1)C1CC1 CN(C)C(=O)[*:1] O=C(NCC[*:1])N(Cc1cccc(F)c1)C1CC1
CN(C)C(=O)CCNC(=O)N(Cc1cccc(F)c1)C1CC1 Fc1cccc(c1)[*:1] CN(C)C(=O)CCNC(=O)N(C[*:1])C1CC1
CC(=O)Oc1ccc(Br)cc1C(=O)NCC(=O)[O-] O=C([O-])C[*:1] CC(=O)Oc1ccc(Br)cc1C(=O)N[*:1]
CC(=O)Oc1ccc(Br)cc1C(=O)NCC(=O)[O-] O=C([O-])[*:1] CC(=O)Oc1ccc(Br)cc1C(=O)NC[*:1]
CC(=O)Oc1ccc(Br)cc1C(=O)NCC(=O)[O-] CC(=O)O[*:1] O=C([O-])CNC(=O)c1cc(Br)ccc1[*:1]
O=C(CN1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CN1C(=O)N[C@H](CC2C[NH+]=c3ccccc3=2)C1=O)N[*:1]
O=C(CN1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] O=C1N[C@H](CC2C[NH+]=c3ccccc3=2)C(=O)N1C[*:1]
O=C(CN1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(CN1C(=O)N[C@H](CC2C[NH+]=c3ccccc3=2)C1=O)NC[*:1]
O=[N+]([O-])c1cccc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])-c1nn2c(C[NH+]3CCCCC3)nnc2s1
C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 O=[N+]([O-])[*:1] C[C@@H](Nc1ccccc1[*:1])c1ccc(cc1)NC(=O)c1ccc(F)cc1
C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 O=[N+]([O-])c1ccccc1[*:1] C[C@@H](N[*:1])c1ccc(cc1)NC(=O)c1ccc(F)cc1
CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc(cc1)[*:1]
Cc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3C)c2)o1 Cc1nnc(o1)[*:1] Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(cs1)[*:1]
COc1ccc(-c2cc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)ccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1[*:1])NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O
O=C(c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)N1CCCC[C@H]1CCO OCC[*:1] O=C(c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)N1CCCC[C@@H]1[*:1]
O=C(c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)N1CCCC[C@H]1CCO Clc1ccc(cc1)C[*:1] O=C(c1ccc2oc(nc2c1)[*:1])N1CCCC[C@H]1CCO
O=C(c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)N1CCCC[C@H]1CCO Clc1ccc(cc1)[*:1] O=C(c1ccc2oc(C[*:1])nc2c1)N1CCCC[C@H]1CCO
O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]([NH+]2CCCC2)CC1 O=[N+]([O-])[*:1] C(=C/c1ccccc1[*:1])\CN1CCC[C@H](CC1)[NH+]1CCCC1
COc1ccc(CS(=O)(=O)CC(=O)NCC(C)C)cc1Br CC(C)C[*:1] COc1ccc(cc1Br)CS(=O)(=O)CC(=O)N[*:1]
COc1ccc(CS(=O)(=O)CC(=O)NCC(C)C)cc1Br CC(C)CNC(=O)[*:1] COc1ccc(cc1Br)CS(=O)(=O)C[*:1]
COc1ccc(CS(=O)(=O)CC(=O)NCC(C)C)cc1Br CC(C)[*:1] COc1ccc(cc1Br)CS(=O)(=O)CC(=O)NC[*:1]
C[C@H]1CN(C(=O)CC2CCCC2)CCN1C(=O)CC1CCCC1 C1CCC(C1)[*:1] C[C@H]1CN(CCN1C(=O)C[*:1])C(=O)CC1CCCC1
C[C@H]1CN(C(=O)CC2CCCC2)CCN1C(=O)CC1CCCC1 C1CCC(C1)C[*:1] C[C@H]1CN(CCN1C(=O)[*:1])C(=O)CC1CCCC1
C[C@H]1CN(C(=O)CC2CCCC2)CCN1C(=O)CC1CCCC1 C1CCC(C1)[*:1] C[C@H]1CN(CCN1C(=O)CC1CCCC1)C(=O)C[*:1]
C[C@H]1CN(C(=O)CC2CCCC2)CCN1C(=O)CC1CCCC1 C1CCC(C1)C[*:1] C[C@H]1CN(CCN1C(=O)CC1CCCC1)C(=O)[*:1]
COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3s/c(=C/c4ccccc4)c(=O)n32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C(C(C)=O)=C(C)N=c2sc(=C[*:1])c(=O)n21
COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3s/c(=C/c4ccccc4)c(=O)n32)cc1 CC(=O)[*:1] COc1ccc(cc1)[C@H]1C(=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n21)[*:1]
COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3s/c(=C/c4ccccc4)c(=O)n32)cc1 COc1ccc(cc1)[*:1] CC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1[*:1]
Nn1c(SCc2ccccc2)nnc(Nc2cc(Cl)ccc2Cl)c1=O c1ccc(cc1)[*:1] Nn1c(nnc(Nc2cc(Cl)ccc2Cl)c1=O)SC[*:1]
Nn1c(SCc2ccccc2)nnc(Nc2cc(Cl)ccc2Cl)c1=O Clc1ccc(Cl)c(c1)[*:1] Nn1c(nnc(N[*:1])c1=O)SCc1ccccc1
Nn1c(SCc2ccccc2)nnc(Nc2cc(Cl)ccc2Cl)c1=O c1ccc(cc1)C[*:1] Nn1c(nnc(Nc2cc(Cl)ccc2Cl)c1=O)S[*:1]
Nn1c(SCc2ccccc2)nnc(Nc2cc(Cl)ccc2Cl)c1=O c1ccc(cc1)CS[*:1] Nn1c(nnc(Nc2cc(Cl)ccc2Cl)c1=O)[*:1]
C[C@H]1CN(C(=O)C(=O)Nc2ccccc2N2CCCCC2)C[C@H](C)O1 C1CCN(CC1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)C(=O)Nc1ccccc1[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)C(=C[*:1])c1ccccc1
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])/C(=C/c1ccccc1)c1ccccc1
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)/C(=C/c1ccccc1)[*:1]
Cc1ccc(NC(=O)CN2CCN(Cc3cccc(Cl)c3)S2(=O)=O)cc1 Clc1cccc(c1)C[*:1] Cc1ccc(cc1)NC(=O)CN1CCN(S1(=O)=O)[*:1]
Cc1ccc(NC(=O)CN2CCN(Cc3cccc(Cl)c3)S2(=O)=O)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(Cc2cccc(Cl)c2)S1(=O)=O)N[*:1]
Cc1ccc(NC(=O)CN2CCN(Cc3cccc(Cl)c3)S2(=O)=O)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)CN1CCN(C[*:1])S1(=O)=O
C[NH+]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 O=[N+]([O-])[*:1] C[NH+]1CCCN(CC1)Cc1cc2OCOc2cc1[*:1]
C[NH+](C)C[C@H]1CCCCN1C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] C[NH+](C)C[C@H]1CCCCN1C(=O)Cn1nnc(n1)[*:1]
O=C(NC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1)c1ccsc1 O=C(N[*:1])c1ccsc1 c1csc(c1)-c1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
O=C(NC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1)c1ccsc1 c1csc(c1)[*:1] O=C(NC1CC[NH+](CC1)Cc1c[nH]nc1[*:1])c1ccsc1
O=C(NC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1)c1ccsc1 c1cc(cs1)[*:1] O=C(NC1CC[NH+](CC1)Cc1c[nH]nc1-c1cccs1)[*:1]
CCc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)c1 C1CC(CCO1)[*:1] CCc1cccc(c1)NC(=O)C(=O)N[C@@H](c1ccc(cc1)OC)[*:1]
CCc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)c1 COc1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)C(=O)N[C@@H](C1CCOCC1)[*:1]
CCc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)c1 CCc1cccc(c1)[*:1] COc1ccc(cc1)[C@H](NC(=O)C(=O)N[*:1])C1CCOCC1
CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)N(CC)CC)CC1 CCN(CC)C(=O)[*:1] CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCC(CC1)[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)N(CC)CC)CC1 CCCC[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)N[C@H]1CCC[C@@H]1[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCC(C(=O)N(CC)CC)CC1 CCC[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)N[C@H]1CCC[C@@H]1C[*:1]
CCC[NH+](CC)Cc1ccc([N+](=O)[O-])c(NN)c1 CCC[*:1] CC[NH+](Cc1ccc(c(c1)NN)[N+](=O)[O-])[*:1]
CCC[NH+](CC)Cc1ccc([N+](=O)[O-])c(NN)c1 O=[N+]([O-])[*:1] CCC[NH+](CC)Cc1ccc(c(c1)NN)[*:1]
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1F COC(=O)[*:1] O=C(Nc1ccc(Cl)cc1F)N[C@H]1CCC[C@H]1[*:1]
O=C(Cc1ccccn1)[C@H]1CCO[C@]2(CCSC2)C1 c1ccc(nc1)[*:1] O=C(C[*:1])[C@H]1CCO[C@]2(CCSC2)C1
O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1)Nc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)NC(=O)c1cccc(c1)[N+](=O)[O-])N[*:1]
O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1ccccc1)Nc1ccc(cc1)NC(=O)[*:1]
Cc1cc(-c2ccc(/C=C/C(=O)[O-])o2)c(C)cc1Br O=C([O-])C=C[*:1] Cc1cc(-c2ccc(o2)[*:1])c(C)cc1Br
Cc1cc(-c2ccc(/C=C/C(=O)[O-])o2)c(C)cc1Br O=C([O-])[*:1] Cc1cc(-c2ccc(C=C[*:1])o2)c(C)cc1Br
Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccc(F)cc23)o1 Cc1ccc(o1)[*:1] O=C(Cc1c[nH]c2ccc(F)cc12)NNC(=O)[*:1]
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 CCc1ccc(cc1)[*:1] O=C1N[C@H](N[*:1])S/C1=C\c1ccc(O)c(c1)[N+](=O)[O-]
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)N[C@H]1NC(=O)/C(=C/c2ccc(O)c(c2)[*:1])S1
COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)s1 COC(=O)[*:1] O=C(Nc1ccc(s1)[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)s1 c1csc(c1)[*:1] COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C2)C(=O)[*:1])s1
COC(=O)c1cc(C)ccc1OCC(=O)N(C(C)C)C(C)C COC(=O)[*:1] Cc1ccc(OCC(=O)N(C(C)C)C(C)C)c(c1)[*:1]
COC(=O)c1cc(C)ccc1OCC(=O)N(C(C)C)C(C)C CC(C)[*:1] COC(=O)c1cc(C)ccc1OCC(=O)N(C(C)C)[*:1]
O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccn(-c2ccccc2F)n1 Clc1cccc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1ccn(n1)-c1ccccc1F
O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccn(-c2ccccc2F)n1 Fc1ccccc1[*:1] O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccn(n1)[*:1]
CC1(C)CCC[C@H]1NC(=O)N[C@@H]1COC[C@@]1(C)C(=O)[O-] O=C([O-])[*:1] CC1(C)CCC[C@H]1NC(=O)N[C@@H]1COC[C@]1(C)[*:1]
Cn1c(C2CC2)nnc1S(=O)(=O)CC(=O)Nc1cc(C(C)(C)C)no1 CC(C)(C)[*:1] Cn1c(nnc1S(=O)(=O)CC(=O)Nc1cc(no1)[*:1])C1CC1
Cn1c(C2CC2)nnc1S(=O)(=O)CC(=O)Nc1cc(C(C)(C)C)no1 C1CC1[*:1] Cn1c(nnc1[*:1])S(=O)(=O)CC(=O)Nc1cc(no1)C(C)(C)C
CN(CC#N)CCOc1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CN(CC#N)CCOc1cccc(c1)[*:1]
CN(CC#N)CCOc1cccc(S(C)(=O)=O)c1 CN(CC#N)C[*:1] CS(=O)(=O)c1cccc(c1)OC[*:1]
CN(CC#N)CCOc1cccc(S(C)(=O)=O)c1 N#CC[*:1] CN(CCOc1cccc(c1)S(C)(=O)=O)[*:1]
CN(CC#N)CCOc1cccc(S(C)(=O)=O)c1 CN(CC#N)[*:1] CS(=O)(=O)c1cccc(c1)OCC[*:1]
CSC[C@](C)(O)CNC(=O)c1cc(C)ccc1-n1ccnc1 c1cn(cn1)[*:1] CSC[C@](C)(O)CNC(=O)c1cc(C)ccc1[*:1]
CSC[C@](C)(O)CNC(=O)c1cc(C)ccc1-n1ccnc1 CSC[*:1] Cc1ccc(c(c1)C(=O)NC[C@](C)(O)[*:1])-n1ccnc1
CC[C@H](NC(=O)[C@H](C)CSc1ccccc1)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@H](NC(=O)[C@H](C)CSc1ccccc1)[*:1]
CC[C@H](NC(=O)[C@H](C)CSc1ccccc1)c1nc(C)n[nH]1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)[C@H](C)CS[*:1])c1nc(C)n[nH]1
CC[C@H](NC(=O)[C@H](C)CSc1ccccc1)c1nc(C)n[nH]1 c1ccc(cc1)S[*:1] CC[C@H](NC(=O)[C@H](C)C[*:1])c1nc(C)n[nH]1
COc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cn1 COc1ccc(cn1)[*:1] O=C(CCc1ccc(o1)-c1ccccc1)N[*:1]
COc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cn1 c1ccc(cc1)[*:1] COc1ccc(cn1)NC(=O)CCc1ccc(o1)[*:1]
Cc1ccc(CCC(=O)NCCN2CCS(=O)(=O)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CC[*:1])NCCN1CCS(=O)(=O)CC1
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cnn(C(C)C)c1C CC(C)[*:1] Cc1cc(ccc1NC(=O)c1cnn(c1C)C(C)C)C(=O)NC[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cnn(C(C)C)c1C CC(C)[*:1] Cc1cc(ccc1NC(=O)c1cnn(c1C)[*:1])C(=O)NCC(C)C
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cnn(C(C)C)c1C CC(C)C[*:1] Cc1cc(ccc1NC(=O)c1cnn(c1C)C(C)C)C(=O)N[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cnn(C(C)C)c1C CC(C)CNC(=O)[*:1] Cc1cc(ccc1NC(=O)c1cnn(c1C)C(C)C)[*:1]
Cc1nnnn1-c1cccc(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)c1 Cc1nnnn1[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CCCCCC1)c1cccc(c1)[*:1]
Cc1nnnn1-c1cccc(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)c1 C1CCCC(CC1)[*:1] Cc1nnnn1-c1cccc(c1)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
CC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 CC[C@H](C)NC(=O)[*:1] CN1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
CC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 CC[C@H](C)[*:1] CN1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
CCCc1cc(NC(=O)NC[C@H]2CCCS2(=O)=O)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)NC[C@H]1CCCS1(=O)=O)[*:1]
CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(CCC(C)(C)O)cc1 CC(C)(O)[*:1] CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(cc1)CC[*:1]
CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(CCC(C)(C)O)cc1 CC(C)(O)C[*:1] CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(cc1)C[*:1]
CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(CCC(C)(C)O)cc1 CC(C)(O)CC[*:1] CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(cc1)[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ncnn1C Cn1ncnc1C[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ncnn1C N#CC[*:1] C[C@@H](Sc1ccccc1NC(=O)N(C)Cc1ncnn1C)[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1ncnn1C Cn1ncnc1[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C[*:1]
N/C(NC1CCCCCC1)=[NH+]/CCCCn1ccccc1=O O=c1ccccn1[*:1] N/C(NC1CCCCCC1)=[NH+]/CCCC[*:1]
N/C(NC1CCCCCC1)=[NH+]/CCCCn1ccccc1=O C1CCCC(CC1)[*:1] N/C(N[*:1])=[NH+]/CCCCn1ccccc1=O
CC(C)COCCC(=O)NCc1ccncc1 CC(C)C[*:1] O=C(CCO[*:1])NCc1ccncc1
CC(C)COCCC(=O)NCc1ccncc1 CC(C)CO[*:1] O=C(CC[*:1])NCc1ccncc1
CC(C)COCCC(=O)NCc1ccncc1 CC(C)[*:1] O=C(CCOC[*:1])NCc1ccncc1
CC[C@@H](CSC)N(C)C(=O)CCc1c(C)nc2cc(C)nn2c1C CSC[*:1] CC[C@@H](N(C)C(=O)CCc1c(C)nc2cc(C)nn2c1C)[*:1]
O=C(CCCOc1cccnc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 c1cncc(c1)O[*:1] O=C(CCC[*:1])N1CCC[C@H](C1)C[NH+]1CCCCCC1
O=C(CCCOc1cccnc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 c1cncc(c1)OC[*:1] O=C(CC[*:1])N1CCC[C@H](C1)C[NH+]1CCCCCC1
O=C(CCCOc1cccnc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 c1cncc(c1)[*:1] O=C(CCCO[*:1])N1CCC[C@H](C1)C[NH+]1CCCCCC1
O=C(/C=C/c1nc2ccccc2s1)NCc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(/C=C/c1nc2ccccc2s1)NC[*:1]
CC[C@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2ccc(F)cc2)c1 CC[C@H](C)[*:1] O=C(Nc1cccc(c1)CNS(=O)(=O)c1ccc(F)cc1)[*:1]
CC[C@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2ccc(F)cc2)c1 CC[C@H](C)C(=O)N[*:1] O=S(=O)(NCc1cccc(c1)[*:1])c1ccc(F)cc1
CC[C@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CC[C@H](C)C(=O)Nc1cccc(c1)CNS(=O)(=O)[*:1]
Cc1nc(SCC(=O)Nc2nc(C3CC3)cs2)c(C#N)c(C)c1C C1CC1[*:1] Cc1nc(SCC(=O)Nc2nc(cs2)[*:1])c(C#N)c(C)c1C
Cc1nc(SCC(=O)Nc2nc(C3CC3)cs2)c(C#N)c(C)c1C c1sc(nc1C1CC1)[*:1] Cc1nc(SCC(=O)N[*:1])c(C#N)c(C)c1C
CCOc1ccc2ccccc2c1C(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 O=C(N1CCC(O)CC1)[*:1] CCOc1ccc2ccccc2c1C(=O)Nc1ccc(cc1)C[*:1]
CCOc1ccc2ccccc2c1C(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 O=C(C[*:1])N1CCC(O)CC1 CCOc1ccc2ccccc2c1C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc2ccccc2c1C(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)CC(=O)N1CCC(O)CC1)c1c(ccc2ccccc12)[*:1]
C/C=C/C=C/C(=O)/N=c1\[nH]nc2cc(C)ccn12 CC=C[*:1] Cc1ccn2/c(=N/C(=O)C=C[*:1])[nH]nc2c1
C/C=C/C=C/C(=O)/N=c1\[nH]nc2cc(C)ccn12 C/C=C/C=C[*:1] Cc1ccn2/c(=N/C(=O)[*:1])[nH]nc2c1
Cn1ncnc1CNC(=O)NCCCc1ccc(O)cc1 Cn1ncnc1[*:1] O=C(NCCCc1ccc(O)cc1)NC[*:1]
Cn1ncnc1CNC(=O)NCCCc1ccc(O)cc1 Cn1ncnc1C[*:1] O=C(NCCCc1ccc(O)cc1)N[*:1]
Cn1ncnc1CNC(=O)NCCCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] Cn1ncnc1CNC(=O)NCCC[*:1]
CO[C@@]1(C)C[C@H](N(C)C(=O)c2cccc(N3CCCNC3=O)c2)C1(C)C O=C1NCCCN1[*:1] CO[C@@]1(C)C[C@H](N(C)C(=O)c2cccc(c2)[*:1])C1(C)C
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] Cc1nn(c(C)c1N1CCN(CC1)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1nn(c(C)c1N1CCN(CC1)C[*:1])[C@@H]1CCS(=O)(=O)C1
CCC[NH2+]C[C@H](C)Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CCC[NH2+]C[C@H](C)Cc1nc(cs1)[*:1]
CCC[NH2+]C[C@H](C)Cc1nc(C(C)(C)C)cs1 CCC[*:1] C[C@@H](C[NH2+][*:1])Cc1nc(cs1)C(C)(C)C
CC[NH+](CC)C(C)(C)C(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] CC[NH+](CC)C(C)(C)C(=O)c1ccc(cc1)[*:1]
CNC(=O)c1cc(Cl)ccc1NC(=O)/C=C/c1c(Cl)nc2sccn12 CNC(=O)[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccc(Cl)cc1[*:1]
CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1cccc(C(F)(F)F)c1)c(=O)n2C CCO[*:1] CCc1cnc2c(c1[*:1])c(=O)n(CC(=O)Nc1cccc(c1)C(F)(F)F)c(=O)n2C
CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1cccc(C(F)(F)F)c1)c(=O)n2C FC(F)(F)c1cccc(c1)[*:1] CCOc1c(cnc2c1c(=O)n(CC(=O)N[*:1])c(=O)n2C)CC
CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1cccc(C(F)(F)F)c1)c(=O)n2C FC(F)(F)[*:1] CCOc1c(cnc2c1c(=O)n(CC(=O)Nc1cccc(c1)[*:1])c(=O)n2C)CC
CCN(CCO)C(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)[*:1] CCN(CCO)C(=O)Nc1ccc(O[*:1])c(F)c1
CCN(CCO)C(=O)Nc1ccc(OC(F)F)c(F)c1 OCC[*:1] CCN(C(=O)Nc1ccc(OC(F)F)c(F)c1)[*:1]
CCN(CCO)C(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)O[*:1] CCN(CCO)C(=O)Nc1ccc(c(F)c1)[*:1]
C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(-c3ncc[nH]3)cc2)o1 c1c[nH]c(n1)[*:1] C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])o1
CCOc1ccc([C@@H](C)NC(=O)Cn2ccnc2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)Cn1ccnc1
CCOc1ccc([C@@H](C)NC(=O)Cn2ccnc2)cc1OC c1cn(cn1)C[*:1] CCOc1ccc(cc1OC)[C@@H](C)NC(=O)[*:1]
CCOc1ccc([C@@H](C)NC(=O)Cn2ccnc2)cc1OC c1cn(cn1)[*:1] CCOc1ccc(cc1OC)[C@@H](C)NC(=O)C[*:1]
CCCCN(C)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 CCC[*:1] CN(C[*:1])C(=O)/C=C/c1ccc2ccc(Cl)cc2n1
CCCCN(C)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 CCCC[*:1] CN(C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)[*:1]
Cc1ccc([C@H](C)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)Cn1cc(ccc1=O)[*:1]
Cc1ccc([C@H](C)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)Cn1cc(ccc1=O)C(F)(F)F)[*:1]
CC(C)C(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)C(=O)N1N=C(C[C@H]1c1cn(nc1[*:1])-c1ccccc1)c1ccco1
CC(C)C(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 c1coc(c1)[*:1] CC(C)C(=O)N1N=C(C[C@H]1c1cn(nc1-c1ccccc1)-c1ccccc1)[*:1]
CC(C)C(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 CC(C)[*:1] O=C(N1N=C(C[C@H]1c1cn(nc1-c1ccccc1)-c1ccccc1)c1ccco1)[*:1]
CC(C)C(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)C(=O)N1N=C(C[C@H]1c1cn(nc1-c1ccccc1)[*:1])c1ccco1
CCc1nn(C)cc1NCc1ccccc1N1CCN(C(C)=O)CC1 CCc1nn(C)cc1[*:1] CC(=O)N1CCN(CC1)c1ccccc1CN[*:1]
Cc1ccc2c(c1)-c1onc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c1CO2 Fc1ccc(cc1)[*:1] Cc1ccc2OCc3c(noc3-c2c1)C(=O)N1CCN(CC1)[*:1]
CCCCN(C(=O)NCc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1cc(ccc1F)CNC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)NCc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 Cc1cc(ccc1F)[*:1] CCCCN(C(=O)NC[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)NCc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] Cc1cc(ccc1F)CNC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)C[NH+]1CCC(O)(CC1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)C[NH+]1CCC(O)(CC1)C(F)(F)F)[*:1]
CC(C)N(C)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 CC(C)[*:1] C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
CC(C)N(C)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 CC(C)N(C)C(=O)[*:1] C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)[*:1]
CN(C)C(=O)N1CCC(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)CC1 C1CCC(CC1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N1CCN(CC1)C(=O)[*:1]
CCc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c1 c1cc2CCCc2cc1[*:1] CCc1cccc(c1)NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CCc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c1 CCc1cccc(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2CCCc2c1
Cc1cc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c([N+](=O)[O-])cc1C O=C(c1ccccc1)[*:1] Cc1cc(NC(=O)COc2ccc(cc2)[*:1])c(cc1C)[N+](=O)[O-]
Cc1cc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1cc(NC(=O)COc2ccc(cc2)C(=O)c2ccccc2)c(cc1C)[*:1]
Cc1cc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c([N+](=O)[O-])cc1C c1ccc(cc1)[*:1] Cc1cc(NC(=O)COc2ccc(cc2)C(=O)[*:1])c(cc1C)[N+](=O)[O-]
O=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(-n4cccn4)nc3)cc2[nH]c1=O c1cnn(c1)[*:1] O=c1[nH]c2ccc(cc2[nH]c1=O)S(=O)(=O)NCc1ccc(nc1)[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1nc(Cn2cc(Br)cn2)no1 Brc1cnn(c1)[*:1] O=C(NCc1ccc2OCOc2c1)c1nc(C[*:1])no1
O=C(NCc1ccc2c(c1)OCO2)c1nc(Cn2cc(Br)cn2)no1 Brc1cnn(c1)C[*:1] O=C(NCc1ccc2OCOc2c1)c1nc(no1)[*:1]
Cc1ccc(C)c(OCC(=O)NNC(=O)NCc2sc(C)nc2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1nc(C)c(CNC(=O)NNC(=O)CO[*:1])s1
Cc1ccc(C)c(OCC(=O)NNC(=O)NCc2sc(C)nc2C)c1 Cc1nc(C)c(s1)[*:1] Cc1ccc(C)c(c1)OCC(=O)NNC(=O)NC[*:1]
Cc1ccc(C)c(OCC(=O)NNC(=O)NCc2sc(C)nc2C)c1 Cc1nc(C)c(C[*:1])s1 Cc1ccc(C)c(c1)OCC(=O)NNC(=O)N[*:1]
CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(N)c1 Nc1cccc(c1)[*:1] CC[C@H](C)c1ccccc1O[C@H](C)C(=O)N[*:1]
CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(N)c1 CC[C@H](C)[*:1] C[C@@H](Oc1ccccc1[*:1])C(=O)Nc1cccc(N)c1
CC(=O)Nc1ccc(SCc2ncc(-c3cccc(Cl)c3)o2)cc1 Clc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)SCc1ncc(o1)[*:1]
CC(=O)Nc1ccc(SCc2ncc(-c3cccc(Cl)c3)o2)cc1 CC(=O)N[*:1] Clc1cccc(c1)-c1cnc(CSc2ccc(cc2)[*:1])o1
Cc1noc(C)c1CSc1nnc(Cc2c(F)cccc2Cl)o1 Cc1noc(C)c1[*:1] Fc1cccc(Cl)c1Cc1nnc(o1)SC[*:1]
Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)Cc3ccco3)c12 c1coc(c1)[*:1] Cc1noc2nc(cc(C(=O)N(C)C[*:1])c12)-c1ccco1
Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)Cc3ccco3)c12 c1coc(c1)[*:1] Cc1noc2nc(cc(C(=O)N(C)Cc3ccco3)c12)[*:1]
Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)Cc3ccco3)c12 c1coc(c1)C[*:1] Cc1noc2nc(cc(C(=O)N(C)[*:1])c12)-c1ccco1
C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nnc2ccccn12 Fc1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1c[nH]nc1[*:1])c1nnc2ccccn12
Cc1noc(C)c1C[C@H](C)C(=O)O[C@H](C)[C@@H](C)c1ccc2ccccc2n1 Cc1noc(C)c1[*:1] C[C@@H](C[*:1])C(=O)O[C@H](C)[C@@H](C)c1ccc2ccccc2n1
Cc1noc(C)c1C[C@H](C)C(=O)O[C@H](C)[C@@H](C)c1ccc2ccccc2n1 Cc1noc(C)c1C[*:1] C[C@@H](c1ccc2ccccc2n1)[C@@H](C)OC(=O)[C@@H](C)[*:1]
CC[C@@H](C)[C@H](C[NH2+]C(C)C)c1ccccc1C CC(C)[*:1] CC[C@@H](C)[C@H](C[NH2+][*:1])c1ccccc1C
CC[C@@H](C)[C@H](C[NH2+]C(C)C)c1ccccc1C CC[C@@H](C)[*:1] Cc1ccccc1[C@@H](C[NH2+]C(C)C)[*:1]
Cc1nc([C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)[C@H](C)Sc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1nc([C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccccc2)n[nH]1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)[C@H](C)S[*:1])c1ccccc1
Cc1nc([C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccccc2)n[nH]1 O=[N+]([O-])[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)[C@H](C)Sc1ccc(cc1)[*:1])c1ccccc1
Cc1nc([C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)N[C@@H](c1ccccc1)[*:1]
CC1(C)CCN(C(=O)NCC(C)(C)c2ccccc2)C1 c1ccc(cc1)[*:1] CC1(C)CCN(C1)C(=O)NCC(C)(C)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc3ncccn3n2)C1 CCOC(=O)[*:1] O=C(CSc1nc2ncccn2n1)N1CCC[C@H](C1)[*:1]
c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](Cc3ccncc3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)[C@H](c1nnnn1C[*:1])N1CC[NH+](CC1)Cc1ccncc1
c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](Cc3ccncc3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)Cn1nnnc1[C@@H](N1CC[NH+](CC1)Cc1ccncc1)[*:1]
c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](Cc3ccncc3)CC2)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)[C@H](c1nnnn1[*:1])N1CC[NH+](CC1)Cc1ccncc1
c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](Cc3ccncc3)CC2)cc1 c1cc(ccn1)[*:1] c1ccc(cc1)Cn1nnnc1[C@@H](c1ccccc1)N1CC[NH+](CC1)C[*:1]
CCOC(=O)C1(C(=O)N[C@H](C)c2ccc(-n3cc(C)cn3)c(F)c2)CC1 CCOC(=O)C1(CC1)[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@@H](C)NC(=O)[*:1]
CCOC(=O)C1(C(=O)N[C@H](C)c2ccc(-n3cc(C)cn3)c(F)c2)CC1 Cc1cnn(c1)[*:1] CCOC(=O)C1(CC1)C(=O)N[C@H](C)c1ccc(c(F)c1)[*:1]
CCOC(=O)C1(C(=O)N[C@H](C)c2ccc(-n3cc(C)cn3)c(F)c2)CC1 CCOC(=O)[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@@H](C)NC(=O)C1(CC1)[*:1]
O=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)o1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1ccc(cn1)C(F)(F)F)[*:1]
O=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)o1)c1ccc(Cl)cc1 FC(F)(F)[*:1] O=C(CSc1nnc(o1)-c1ccc(cn1)[*:1])c1ccc(Cl)cc1
CN(CCOCC1CC1)c1nc(-c2cccnc2)nc2ccccc12 C1CC1CO[*:1] CN(CC[*:1])c1nc(nc2ccccc12)-c1cccnc1
CN(CCOCC1CC1)c1nc(-c2cccnc2)nc2ccccc12 C1CC1C[*:1] CN(CCO[*:1])c1nc(nc2ccccc12)-c1cccnc1
CN(CCOCC1CC1)c1nc(-c2cccnc2)nc2ccccc12 C1CC1COC[*:1] CN(C[*:1])c1nc(nc2ccccc12)-c1cccnc1
CN(CCOCC1CC1)c1nc(-c2cccnc2)nc2ccccc12 C(C[*:1])OCC1CC1 CN(c1nc(nc2ccccc12)-c1cccnc1)[*:1]
CN(CCOCC1CC1)c1nc(-c2cccnc2)nc2ccccc12 C1CC1[*:1] CN(CCOC[*:1])c1nc(nc2ccccc12)-c1cccnc1
CN(CCOCC1CC1)c1nc(-c2cccnc2)nc2ccccc12 c1cncc(c1)[*:1] CN(CCOCC1CC1)c1nc(nc2ccccc12)[*:1]
CCc1ccc(S(=O)(=O)NCCS(C)(=O)=O)cc1 CS(=O)(=O)CC[*:1] CCc1ccc(cc1)S(=O)(=O)N[*:1]
CCc1ccc(S(=O)(=O)NCCS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCc1ccc(cc1)S(=O)(=O)NCC[*:1]
CCc1ccc(S(=O)(=O)NCCS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] CCc1ccc(cc1)S(=O)(=O)NC[*:1]
C#Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C#Cc1cc(cc(c1)[*:1])[N+](=O)[O-]
CN(C)C(=O)Cn1nnc2ccccc2c1=O CN(C)C(=O)[*:1] O=c1c2ccccc2nnn1C[*:1]
CN(C(=O)c1cccc2c1OCCO2)C1CC1 C1CC1[*:1] CN(C(=O)c1cccc2OCCOc21)[*:1]
CCOC(=O)[C@H](C#N)c1ncc(Br)cn1 CCOC(=O)[*:1] N#C[C@H](c1ncc(Br)cn1)[*:1]
C[C@@H](N[C@@H]1CCN(C)C1=O)c1ccccc1OC(F)F FC(F)O[*:1] C[C@@H](N[C@@H]1CCN(C)C1=O)c1ccccc1[*:1]
C[C@@H](N[C@@H]1CCN(C)C1=O)c1ccccc1OC(F)F FC(F)[*:1] C[C@@H](N[C@@H]1CCN(C)C1=O)c1ccccc1O[*:1]
O=S(=O)(c1ccc(-n2ccnc2)cc1)N1CCCC1 c1cn(cn1)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCCC1
COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)s1 COCC[*:1] Cc1nc(sc1[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1CO)[*:1]
COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)s1 COC[*:1] Cc1nc(C[*:1])sc1[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1CO
C[C@H](Cc1ccco1)NC(=O)c1nn(C)c2c1CSc1ccc(F)cc1-2 c1coc(c1)C[*:1] C[C@H](NC(=O)c1nn(C)c2-c3cc(F)ccc3SCc12)[*:1]
C[C@H](Cc1ccco1)NC(=O)c1nn(C)c2c1CSc1ccc(F)cc1-2 C[C@H](Cc1ccco1)[*:1] Cn1nc(C(=O)N[*:1])c2CSc3ccc(F)cc3-c21
C[C@H](Cc1ccco1)NC(=O)c1nn(C)c2c1CSc1ccc(F)cc1-2 c1coc(c1)[*:1] C[C@H](C[*:1])NC(=O)c1nn(C)c2-c3cc(F)ccc3SCc12
CCCc1noc(COc2ccc(F)cc2)n1 CCC[*:1] Fc1ccc(cc1)OCc1nc(no1)[*:1]
Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)on1 c1ccc(C[*:1])nc1 Cc1cc(on1)C(=O)N(c1nc2c(F)cccc2s1)[*:1]
Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)on1 Cc1cc(on1)[*:1] O=C(N(Cc1ccccn1)c1nc2c(F)cccc2s1)[*:1]
Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)on1 c1ccc(nc1)[*:1] Cc1cc(on1)C(=O)N(C[*:1])c1nc2c(F)cccc2s1
O=C(CCN1CCO[C@@H](C(F)(F)F)C1)NCc1ccccc1Cl FC(F)(F)[*:1] O=C(CCN1CCO[C@@H](C1)[*:1])NCc1ccccc1Cl
O=C(CCN1CCO[C@@H](C(F)(F)F)C1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CCN1CCO[C@H](C1)C(F)(F)F)NC[*:1]
C[C@@H](C(=O)Nc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1
C[C@@H](C(=O)Nc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 c1cc2CCCc2cc1[*:1] C[C@@H](C(=O)Nc1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](C(=O)Nc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 O=C(Nc1ccccc1)[*:1] C[C@@H](N1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1)[*:1]
C[NH2+][C@@H]1[C@H](Sc2ccc([N+](=O)[O-])cc2)CCC1(C)C O=[N+]([O-])[*:1] C[NH2+][C@@H]1[C@@H](CCC1(C)C)Sc1ccc(cc1)[*:1]
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(NC(=O)c2ccccc2Cl)c1 C=CC[*:1] O=C(Nc1cccc(c1)[C@H]1Nc2ccccc2C(=O)N1[*:1])c1ccccc1Cl
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(NC(=O)c2ccccc2Cl)c1 Clc1ccccc1[*:1] C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(c1)NC(=O)[*:1]
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(NC(=O)c2ccccc2Cl)c1 O=C(N[*:1])c1ccccc1Cl C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(c1)[*:1]
CCCN1C(=O)c2ccccc2N[C@H]1/C=C/c1ccccc1OC CCC[*:1] COc1ccccc1/C=C/[C@@H]1Nc2ccccc2C(=O)N1[*:1]
CCCN1C(=O)c2ccccc2N[C@H]1/C=C/c1ccccc1OC COc1ccccc1[*:1] CCCN1C(=O)c2ccccc2N[C@H]1C=C[*:1]
Cc1nc(-c2nnc(NC(=O)CSc3ccc(Cl)cc3)o2)cs1 Cc1nc(cs1)[*:1] O=C(CSc1ccc(Cl)cc1)Nc1nnc(o1)[*:1]
Cc1nc(-c2nnc(NC(=O)CSc3ccc(Cl)cc3)o2)cs1 Clc1ccc(cc1)[*:1] Cc1nc(cs1)-c1nnc(NC(=O)CS[*:1])o1
O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)cc1 O=C1CCCN1[*:1] O=S(=O)(Nc1ccccc1-c1nnc2CCCCCn21)c1ccc(cc1)[*:1]
O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)cc1 C1CCc2nnc(n2CC1)[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)Nc1ccccc1[*:1]
Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1noc(C)c1C(=O)O[C@@H](C)[*:1]
Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)NC1CC1 C1CC1[*:1] Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)N[*:1]
CC(=O)C(C)(C)CN1c2ccccc2CC[C@@H]1C CC(=O)C(C)(C)[*:1] C[C@H]1CCc2ccccc2N1C[*:1]
CC(=O)C(C)(C)CN1c2ccccc2CC[C@@H]1C CC(=O)[*:1] C[C@H]1CCc2ccccc2N1CC(C)(C)[*:1]
Cc1ccc(CNC(=O)Nc2ccn(C)n2)cc1F Cn1ccc(n1)[*:1] Cc1ccc(cc1F)CNC(=O)N[*:1]
O=C(Nc1nc(-c2cccs2)cs1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 c1csc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
Cc1ccc2nsnc2c1NC(=O)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc2nsnc2c1NC(=O)S(=O)(=O)[*:1]
Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@H]2CCCO2)cs1 Cc1nc(cs1)[*:1] O=C([C@H]1CCCO1)N1CCc2cc(ccc21)[*:1]
COc1ccc2c(c1)[C@@H](O)[C@@H](OCC(C)C)CC2 CC(C)CO[*:1] COc1ccc2CC[C@H]([C@H](O)c2c1)[*:1]
COc1ccc2c(c1)[C@@H](O)[C@@H](OCC(C)C)CC2 CC(C)C[*:1] COc1ccc2CC[C@H](O[*:1])[C@H](O)c2c1
COc1ccc2c(c1)[C@@H](O)[C@@H](OCC(C)C)CC2 CC(C)[*:1] COc1ccc2CC[C@H](OC[*:1])[C@H](O)c2c1
CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Cl)cc1)C(=O)CS2 Clc1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccc2SCC(=O)N(CC(=O)N[*:1])c2c1
CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Cl)cc1)C(=O)CS2 CCN(CC)C(=O)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)[*:1])Nc1ccc(Cl)cc1
CNc1nc2ccccc2cc1CSC[C@@H](O)CO OC[C@H](O)C[*:1] CNc1nc2ccccc2cc1CS[*:1]
CNc1nc2ccccc2cc1CSC[C@@H](O)CO OC[C@H](O)[*:1] CNc1nc2ccccc2cc1CSC[*:1]
CC(C)=C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)OCC(C)C)CC2)C1(C)C CC(C)C[*:1] CC(C)=C[C@@H]1[C@H](C(=O)N2CCCN(CC2)C(=O)O[*:1])C1(C)C
CC(C)=C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)OCC(C)C)CC2)C1(C)C CC(C)=C[*:1] CC(C)COC(=O)N1CCCN(CC1)C(=O)[C@H]1[C@H](C1(C)C)[*:1]
CC(C)=C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)OCC(C)C)CC2)C1(C)C CC(C)[*:1] CC(C)=C[C@@H]1[C@H](C(=O)N2CCCN(CC2)C(=O)OC[*:1])C1(C)C
NC(=O)CN1CCC([NH2+]Cc2cc(C(=O)[O-])cs2)CC1 O=C([O-])[*:1] NC(=O)CN1CCC(CC1)[NH2+]Cc1cc(cs1)[*:1]
NC(=O)CN1CCC([NH2+]Cc2cc(C(=O)[O-])cs2)CC1 NC(=O)[*:1] O=C([O-])c1csc(c1)C[NH2+]C1CCN(CC1)C[*:1]
NC(=O)CN1CCC([NH2+]Cc2cc(C(=O)[O-])cs2)CC1 NC(=O)C[*:1] O=C([O-])c1csc(c1)C[NH2+]C1CCN(CC1)[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O CC(C)[*:1] O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCC[C@@H]1CC[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O CC(C)C[*:1] O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCC[C@@H]1C[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O CC(C)CC[*:1] O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCC[C@@H]1[*:1]
CCC(CC)(Nc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] O=C([O-])[*:1] CCC(CC)(Nc1ccc(Br)cc1[N+](=O)[O-])[*:1]
CCC(CC)(Nc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] O=[N+]([O-])[*:1] CCC(CC)(Nc1ccc(Br)cc1[*:1])C(=O)[O-]
CCC(CC)C(=O)NC[C@H](C)c1ccc(F)cc1 CCC(CC)[*:1] C[C@@H](CNC(=O)[*:1])c1ccc(F)cc1
Cn1nc([C@H]2CCCN(C(=O)Cn3ccccc3=O)C2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)Cn2ccccc2=O)n(c1=O)[*:1]
Cn1nc([C@H]2CCCN(C(=O)Cn3ccccc3=O)C2)n(-c2ccccc2)c1=O O=c1ccccn1C[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)[*:1])n(-c2ccccc2)c1=O
Cn1nc([C@H]2CCCN(C(=O)Cn3ccccc3=O)C2)n(-c2ccccc2)c1=O O=c1ccccn1[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)C[*:1])n(-c2ccccc2)c1=O
O=S(=O)(Cc1ccccc1Cl)N(Cc1ccsc1)CC(F)(F)F FC(F)(F)C[*:1] O=S(=O)(Cc1ccccc1Cl)N(Cc1ccsc1)[*:1]
O=S(=O)(Cc1ccccc1Cl)N(Cc1ccsc1)CC(F)(F)F c1cc(cs1)C[*:1] O=S(=O)(Cc1ccccc1Cl)N(CC(F)(F)F)[*:1]
O=S(=O)(Cc1ccccc1Cl)N(Cc1ccsc1)CC(F)(F)F FC(F)(F)[*:1] O=S(=O)(Cc1ccccc1Cl)N(Cc1ccsc1)C[*:1]
O=S(=O)(Cc1ccccc1Cl)N(Cc1ccsc1)CC(F)(F)F c1cc(cs1)[*:1] O=S(=O)(Cc1ccccc1Cl)N(CC(F)(F)F)C[*:1]
O=S(=O)(Cc1ccccc1Cl)N(Cc1ccsc1)CC(F)(F)F Clc1ccccc1[*:1] O=S(=O)(C[*:1])N(Cc1ccsc1)CC(F)(F)F
COc1ccc(CC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 COc1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C[*:1]
CN1CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c2nc3ccccc3nc21 Clc1ccc(c(Cl)c1)[*:1] CN1CCCN(C(=O)CCc2ncc(o2)[*:1])c2nc3ccccc3nc21
CC(C)(C(=O)NCc1ccncc1)c1ccc(Br)cc1 c1cc(ccn1)[*:1] CC(C)(C(=O)NC[*:1])c1ccc(Br)cc1
CCN(C1CCCC1)S(=O)(=O)N1CCc2ccccc2C1 C1CCC(C1)[*:1] CCN(S(=O)(=O)N1CCc2ccccc2C1)[*:1]
Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)c(C)c1 NC(=O)N[*:1] Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(cc2)[*:1])c(C)c1
CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCC(=O)Nc1ccccc1C(=O)OCC(=O)[*:1]
CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(Br)cc1 CCC(=O)N[*:1] O=C(COC(=O)c1ccccc1[*:1])c1ccc(Br)cc1
Cc1ccc[nH+]c1N1CCC(OCCC[NH3+])CC1 [NH3+]CCC[*:1] Cc1ccc[nH+]c1N1CCC(CC1)O[*:1]
Cc1ccc[nH+]c1N1CCC(OCCC[NH3+])CC1 [NH3+]CC[*:1] Cc1ccc[nH+]c1N1CCC(CC1)OC[*:1]
Cc1ccc[nH+]c1N1CCC(OCCC[NH3+])CC1 [NH3+]CCCO[*:1] Cc1ccc[nH+]c1N1CCC(CC1)[*:1]
Cc1cccc2c1N(C(=O)c1n[nH]c(C3CC3)n1)CCC2 C1CC1[*:1] Cc1cccc2CCCN(C(=O)c3n[nH]c(n3)[*:1])c12
CCC[C@H](C)[C@@H]1N=C2C=NN([C@@H](C)C(C)C)[C@@H]2N1 CC(C)[*:1] CCC[C@H](C)[C@@H]1N=C2C=NN([C@@H]2N1)[C@@H](C)[*:1]
CCC[C@H](C)[C@@H]1N=C2C=NN([C@@H](C)C(C)C)[C@@H]2N1 CCC[C@H](C)[*:1] CC(C)[C@H](C)N1N=CC2=N[C@H](N[C@H]21)[*:1]
CCC[C@H](C)[C@@H]1N=C2C=NN([C@@H](C)C(C)C)[C@@H]2N1 CCC[*:1] CC(C)[C@H](C)N1N=CC2=N[C@H](N[C@H]21)[C@@H](C)[*:1]
CCC[C@H](C)[C@@H]1N=C2C=NN([C@@H](C)C(C)C)[C@@H]2N1 CC(C)[C@H](C)[*:1] CCC[C@H](C)[C@@H]1N=C2C=NN([C@@H]2N1)[*:1]
O=C(c1ccccc1)C1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1 Fc1ccc(cc1)O[*:1] O=C(c1ccccc1)C1CCN(CC1)c1nccc(n1)[*:1]
O=C(c1ccccc1)C1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1 O=C(c1ccccc1)[*:1] Fc1ccc(cc1)Oc1ccnc(n1)N1CCC(CC1)[*:1]
O=C(c1ccccc1)C1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccccc1)C1CCN(CC1)c1nccc(n1)O[*:1]
O=C(c1ccccc1)C1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)c1nccc(n1)Oc1ccc(F)cc1)[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)Cc2ccon2)c1 c1cc(no1)[*:1] Cc1nnnn1-c1ccc(F)c(c1)NC(=O)C[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)Cc2ccon2)c1 Cc1nnnn1[*:1] O=C(Cc1ccon1)Nc1cc(ccc1F)[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)Cc2ccon2)c1 c1cc(C[*:1])no1 Cc1nnnn1-c1ccc(F)c(c1)NC(=O)[*:1]
COc1cccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccccc4)c3)n2)c1 COc1cccc(c1)[*:1] O=C(NCc1ccccc1)c1cccc(c1)-c1nccc(n1)O[*:1]
COc1cccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccccc4)c3)n2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)Oc1ccnc(n1)-c1cccc(c1)C(=O)N[*:1]
COc1cccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccccc4)c3)n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)Oc1ccnc(n1)-c1cccc(c1)C(=O)NC[*:1]
COc1cccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccccc4)c3)n2)c1 COc1cccc(c1)O[*:1] O=C(NCc1ccccc1)c1cccc(c1)-c1nccc(n1)[*:1]
COc1cccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccccc4)c3)n2)c1 O=C(NCc1ccccc1)[*:1] COc1cccc(c1)Oc1ccnc(n1)-c1cccc(c1)[*:1]
CCSc1ccc([C@@H](C)NCc2sc(C)nc2C)cc1 CCS[*:1] Cc1nc(C)c(CN[C@H](C)c2ccc(cc2)[*:1])s1
CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCC[C@@H]3O)cc2)CC1 O[C@H]1CCC[C@@H]1C[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1)C(=O)N[*:1]
O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)NCc1ccccc1 Clc1ccc(c(Cl)c1)[*:1] O=C(CSc1nc(n[nH]1)[*:1])NCc1ccccc1
O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1nc(n[nH]1)-c1ccc(Cl)cc1Cl)N[*:1]
O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc(n[nH]1)-c1ccc(Cl)cc1Cl)NC[*:1]
Cc1cc(CNc2cc(Br)ccc2[N+](=O)[O-])cc(C)c1F O=[N+]([O-])[*:1] Cc1cc(cc(C)c1F)CNc1cc(Br)ccc1[*:1]
CCOCC(=O)NNC(=O)/C=C/c1ccccc1Br CCO[*:1] O=C(/C=C/c1ccccc1Br)NNC(=O)C[*:1]
CCOCC(=O)NNC(=O)/C=C/c1ccccc1Br CCOC[*:1] O=C(/C=C/c1ccccc1Br)NNC(=O)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CC CC[C@@H](C)[*:1] CCn1c(nnc1-c1ccc(Cl)cc1)S[C@@H](C)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CC CC[C@@H](C)NC(=O)[*:1] CCn1c(nnc1-c1ccc(Cl)cc1)S[C@@H](C)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CC Clc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(n1CC)[*:1]
COCCCNC(=O)[C@H]1CCCN(c2ccc3nncn3n2)C1 COC[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)c1ccc2nncn2n1
COCCCNC(=O)[C@H]1CCCN(c2ccc3nncn3n2)C1 COCCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc2nncn2n1
COCCCNC(=O)[C@H]1CCCN(c2ccc3nncn3n2)C1 COCC[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1ccc2nncn2n1
O=C(OCc1ccc(-c2ccccc2)cc1)c1ccc(N2CCNC2=O)cc1 O=C1NCCN1[*:1] O=C(OCc1ccc(cc1)-c1ccccc1)c1ccc(cc1)[*:1]
O=C(OCc1ccc(-c2ccccc2)cc1)c1ccc(N2CCNC2=O)cc1 c1ccc(cc1)[*:1] O=C(OCc1ccc(cc1)[*:1])c1ccc(cc1)N1CCNC1=O
CSCC[C@@H](NC(=O)c1ccccc1C)c1nc2ccccc2[nH]1 CSCC[*:1] Cc1ccccc1C(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
CSCC[C@@H](NC(=O)c1ccccc1C)c1nc2ccccc2[nH]1 Cc1ccccc1[*:1] CSCC[C@@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
CSCC[C@@H](NC(=O)c1ccccc1C)c1nc2ccccc2[nH]1 CSC[*:1] Cc1ccccc1C(=O)N[C@H](C[*:1])c1nc2ccccc2[nH]1
CC[C@@H](NC(=O)c1cc(COC)on1)c1c(C)nn(C)c1C COC[*:1] CC[C@@H](NC(=O)c1cc(on1)[*:1])c1c(C)nn(C)c1C
C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cccnc1OC1CCCC1)CS2 C1CCC(C1)O[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)NCc1cccnc1[*:1]
C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cccnc1OC1CCCC1)CS2 C1CCC(C1)[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)NCc1cccnc1O[*:1]
Cc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(C(=O)c2ccco2)C1 Cc1ccccc1[*:1] O=C(N[C@H]1CCCN(C1)C(=O)c1ccco1)C(=O)N[*:1]
Cc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(C(=O)c2ccco2)C1 c1coc(c1)[*:1] Cc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 COc1ccc(cc1)[*:1] O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCN(CC1)C(=O)[*:1]
Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 Oc1ccc(cc1)[*:1] Cc1noc2NC3C[C@H](CC(=O)C=3[C@H](c3cccc(Cl)c3)c12)[*:1]
Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 Clc1cccc(c1)[*:1] Cc1noc2NC3C[C@@H](CC(=O)C=3[C@H](c12)[*:1])c1ccc(O)cc1
CCc1ccc([C@H]2CCCN2S(=O)(=O)NCc2noc(C)n2)o1 Cc1nc(C[*:1])no1 CCc1ccc(o1)[C@H]1CCCN1S(=O)(=O)N[*:1]
CCc1ccc([C@H]2CCCN2S(=O)(=O)NCc2noc(C)n2)o1 Cc1nc(no1)[*:1] CCc1ccc(o1)[C@H]1CCCN1S(=O)(=O)NC[*:1]
CCc1ccc([C@H]2CCCN2S(=O)(=O)NCc2noc(C)n2)o1 CCc1ccc(o1)[*:1] Cc1nc(CNS(=O)(=O)N2CCC[C@@H]2[*:1])no1
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(CN(S(=O)(=O)c1ccc(F)cc1)[*:1])N[C@@H]1CCCc2ccccc21
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 Fc1ccc(cc1)[*:1] O=C(CN(c1ccccc1)S(=O)(=O)[*:1])N[C@@H]1CCCc2ccccc21
COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc(C)cs2)cn1C Cc1csc(n1)[*:1] COC(=O)c1cc(cn1C)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc(C)cs2)cn1C Cc1csc(n1)NC(=O)[*:1] COC(=O)c1cc(cn1C)S(=O)(=O)N1CCC[C@@H]1[*:1]
COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc(C)cs2)cn1C COC(=O)[*:1] Cc1csc(n1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(n(C)c1)[*:1]
CC1=C2[C@@H](N=N1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC1N=N[C@H]2OC(N)=C(C#N)[C@@H](C=12)c1ccc(cc1)[*:1]
O=C(NCC1CCC1)N[C@@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] O=C(NCC1CCC1)N[C@@H](c1ncon1)[*:1]
O=C(NCC1CCC1)N[C@@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] O=C(NCC1CCC1)N[C@@H](c1ccc(Cl)cc1)[*:1]
O=C(NCC1CCC1)N[C@@H](c1ccc(Cl)cc1)c1ncon1 C1CC(C1)C[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N[*:1]
O=C(NCC1CCC1)N[C@@H](c1ccc(Cl)cc1)c1ncon1 C1CC(C1)[*:1] O=C(NC[*:1])N[C@@H](c1ccc(Cl)cc1)c1ncon1
CCO[C@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CCO[C@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)C[*:1]
CCO[C@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)Cc1ccccc1 CCO[*:1] O=S(=O)(Cc1ccccc1)/N=C(\[O-])[C@H]1C[C@@H]1[*:1]
C[C@H](c1cccc2ccccc12)N(C(=O)CCCn1cncn1)C1CC1 c1ncn(n1)[*:1] C[C@H](c1cccc2ccccc12)N(C(=O)CCC[*:1])C1CC1
C[C@H](c1cccc2ccccc12)N(C(=O)CCCn1cncn1)C1CC1 C1CC1[*:1] C[C@H](c1cccc2ccccc12)N(C(=O)CCCn1cncn1)[*:1]
C[C@H](c1cccc2ccccc12)N(C(=O)CCCn1cncn1)C1CC1 c1ncn(C[*:1])n1 C[C@H](c1cccc2ccccc12)N(C(=O)CC[*:1])C1CC1
C[C@H](c1cccc2ccccc12)N(C(=O)CCCn1cncn1)C1CC1 c1ncn(CC[*:1])n1 C[C@H](c1cccc2ccccc12)N(C(=O)C[*:1])C1CC1
C[C@H](c1cccc2ccccc12)N(C(=O)CCCn1cncn1)C1CC1 c1ncn(CCC[*:1])n1 C[C@H](c1cccc2ccccc12)N(C(=O)[*:1])C1CC1
CCOc1ccc(-n2ncc(C(=O)N[C@H]3CCCCC[C@H]3C(=O)OC)c2C)nn1 CCOc1ccc(nn1)[*:1] COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cnn(c1C)[*:1]
CCOc1ccc(-n2ncc(C(=O)N[C@H]3CCCCC[C@H]3C(=O)OC)c2C)nn1 COC(=O)[*:1] CCOc1ccc(nn1)-n1ncc(C(=O)N[C@H]2CCCCC[C@@H]2[*:1])c1C
CCOc1ccc(-n2ncc(C(=O)N[C@H]3CCCCC[C@H]3C(=O)OC)c2C)nn1 CCO[*:1] COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cnn(-c2ccc(nn2)[*:1])c1C
CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F O=C(N1CCOCC1)[*:1] CN(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1[*:1]
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C1COc2cc(c(Cl)cc2N1)S(=O)(=O)N1CCN(CC1)[*:1]
C=C(C=O)[C@@H](C)CCC=C(C)C CC(C)=C[*:1] C=C(C=O)[C@@H](C)CC[*:1]
C=C(C=O)[C@@H](C)CCC=C(C)C C=C(C=O)[*:1] CC(C)=CCC[C@H](C)[*:1]
CSc1ncc(Cl)c(C(=O)N(C)c2ccccc2)n1 c1ccc(cc1)[*:1] CSc1ncc(Cl)c(n1)C(=O)N(C)[*:1]
CC(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(ccn3C)c2)C1 CC(C)[*:1] Cn1ccc2cc(ccc21)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CC(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(ccn3C)c2)C1 CC(C)NC(=O)[*:1] Cn1ccc2cc(ccc21)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
CN(CC(=O)NC1CC1)C(=O)CSc1ncccc1N C1CC1[*:1] CN(CC(=O)N[*:1])C(=O)CSc1ncccc1N
CN(CC(=O)NC1CC1)C(=O)CSc1ncccc1N O=C(NC1CC1)[*:1] CN(C[*:1])C(=O)CSc1ncccc1N
O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Cc1csc(n1)NC(=O)c1ccc[nH]c1=O)NC[*:1]
O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCc1ccc2c(c1)OCO2 O=c1[nH]cccc1[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])NCc1ccc2OCOc2c1
Clc1cccc(CN2CC[NH+](CCn3cncn3)CC2)c1Cl c1ncn(CC[*:1])n1 Clc1cccc(CN2CC[NH+](CC2)[*:1])c1Cl
Clc1cccc(CN2CC[NH+](CCn3cncn3)CC2)c1Cl c1ncn(C[*:1])n1 Clc1cccc(CN2CC[NH+](CC2)C[*:1])c1Cl
Clc1cccc(CN2CC[NH+](CCn3cncn3)CC2)c1Cl c1ncn(n1)[*:1] Clc1cccc(CN2CC[NH+](CC2)CC[*:1])c1Cl
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-n2ccnn2)c1 c1cn(nn1)[*:1] Cc1cc(C)c(c(C)c1C(=O)Nc1cccc(c1)[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-n2ccnn2)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)Nc1cccc(c1)-n1ccnn1)[*:1]
COc1ccc([C@H]2CC([C@H]3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)=NN2C(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N1N=C(C[C@@H]1[*:1])[C@H]1C(=O)[NH+]=c2ccc(Cl)cc2=C1c1ccccc1
COc1ccc([C@H]2CC([C@H]3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)=NN2C(C)=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(C)=O)[C@H]1C(=O)[NH+]=c2ccc(Cl)cc2=C1[*:1]
Cc1ccc(-c2nc(CNC(=O)N[C@H]3CC=CCC3)co2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1coc(n1)[*:1])N[C@H]1CC=CCC1
C=C(C)[C@H]([NH3+])C(OCC)OCC CCO[*:1] C=C(C)[C@H]([NH3+])C(OCC)[*:1]
C=C(C)[C@H]([NH3+])C(OCC)OCC C=C(C)[*:1] CCOC(OCC)[C@@H]([NH3+])[*:1]
CC[C@@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N1CCO[C@H](C1)c1cccc(F)c1)[*:1]
CC[C@@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1ccncc1 Fc1cccc(c1)[*:1] CC[C@@H](NC(=O)N1CCO[C@@H](C1)[*:1])c1ccncc1
CC(C)[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N1CCOCC1 CC(C)[*:1] O=C(O[C@H](C(=O)N1CCOCC1)[*:1])c1cc(=O)[nH]c2ccccc12
CC(C)[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)[*:1]
COc1ccc(/C=C/C(=O)NC[C@@H](C)c2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(/C=C/C(=O)NC[C@@H](C)[*:1])c(c1)OC
COc1ccc(/C=C/C(=O)NC[C@@H](C)c2ccccc2)c(OC)c1 C[C@@H](c1ccccc1)[*:1] COc1ccc(/C=C/C(=O)NC[*:1])c(c1)OC
O=C(NCC1([O-])CCC1)c1ccc(-c2ccc(Cl)cc2)cc1F Clc1ccc(cc1)[*:1] O=C(NCC1([O-])CCC1)c1ccc(cc1F)[*:1]
CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CCCN(C(N)=O)CC1 CC(C)(C)[*:1] NC(=O)N1CCC[NH+](CC1)CC(=O)N(Cc1cccc(F)c1)[*:1]
CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CCCN(C(N)=O)CC1 Fc1cccc(c1)[*:1] CC(C)(C)N(C[*:1])C(=O)C[NH+]1CCCN(CC1)C(N)=O
CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CCCN(C(N)=O)CC1 Fc1cccc(c1)C[*:1] CC(C)(C)N(C(=O)C[NH+]1CCCN(CC1)C(N)=O)[*:1]
O=C(Nc1nccs1)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ClC(Cl)=C(Cl)[*:1] O=C(Nc1nccs1)[C@@H]1CC=CC[C@H]1C(=O)OC[*:1]
O=C(Nc1nccs1)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl c1csc(n1)[*:1] O=C(N[*:1])[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl
O=C(Nc1nccs1)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ClC(Cl)=C(Cl)C[*:1] O=C(Nc1nccs1)[C@@H]1CC=CC[C@H]1C(=O)O[*:1]
COC(=O)[C@H]1CCCCN1Cc1nc(Cc2ccccc2C)no1 Cc1ccccc1[*:1] COC(=O)[C@H]1CCCCN1Cc1nc(C[*:1])no1
COC(=O)[C@H]1CCCCN1Cc1nc(Cc2ccccc2C)no1 COC(=O)[*:1] Cc1ccccc1Cc1noc(CN2CCCC[C@@H]2[*:1])n1
COC(=O)[C@H]1CCCCN1Cc1nc(Cc2ccccc2C)no1 Cc1ccccc1C[*:1] COC(=O)[C@H]1CCCCN1Cc1nc(no1)[*:1]
CSc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 CSc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)C[*:1]
CSc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)CN(C)C(=O)c1c(C)nn(c1C)[*:1]
O=C(NCc1ccccc1OC1CCCC1)N[C@H]1c2ccccc2C[C@@H]1O C1CCC(C1)[*:1] O=C(NCc1ccccc1O[*:1])N[C@H]1c2ccccc2C[C@@H]1O
O=C(NCc1ccccc1OC1CCCC1)N[C@H]1c2ccccc2C[C@@H]1O C1CCC(C1)O[*:1] O=C(NCc1ccccc1[*:1])N[C@H]1c2ccccc2C[C@@H]1O
CC(C)c1cccc(NC(=O)NC[C@H](O)c2cccc(OC(F)F)c2)c1 FC(F)[*:1] CC(C)c1cccc(c1)NC(=O)NC[C@H](O)c1cccc(c1)O[*:1]
CC(C)c1cccc(NC(=O)NC[C@H](O)c2cccc(OC(F)F)c2)c1 FC(F)O[*:1] CC(C)c1cccc(c1)NC(=O)NC[C@H](O)c1cccc(c1)[*:1]
CC(C)c1cccc(NC(=O)NC[C@H](O)c2cccc(OC(F)F)c2)c1 CC(C)[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)Nc1cccc(c1)[*:1]
CCSc1nc2n(n1)[C@@H](c1cccc(F)c1)C(C(=O)Nc1cccc(C)c1)=C(C)N2 CCS[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccc(C)c1)c1cccc(F)c1)[*:1]
CCSc1nc2n(n1)[C@@H](c1cccc(F)c1)C(C(=O)Nc1cccc(C)c1)=C(C)N2 Cc1cccc(c1)NC(=O)[*:1] CCSc1nc2NC(C)=C([C@H](c3cccc(F)c3)n2n1)[*:1]
CCSc1nc2n(n1)[C@@H](c1cccc(F)c1)C(C(=O)Nc1cccc(C)c1)=C(C)N2 Fc1cccc(c1)[*:1] CCSc1nc2NC(C)=C(C(=O)Nc3cccc(C)c3)[C@H](n2n1)[*:1]
CCSc1nc2n(n1)[C@@H](c1cccc(F)c1)C(C(=O)Nc1cccc(C)c1)=C(C)N2 Cc1cccc(c1)[*:1] CCSc1nc2NC(C)=C(C(=O)N[*:1])[C@H](c3cccc(F)c3)n2n1
CC(=O)N1CCN(C(=O)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)C(=O)Nc1c(C)nn(c1C)[*:1]
CCOc1ccc(NC(=O)c2cccc(OC)c2O)c(C)c1 CCO[*:1] COc1cccc(C(=O)Nc2ccc(cc2C)[*:1])c1O
CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(C3CC3)n1C)n2C CCC[*:1] Cn1c(nnc1C1CC1)SCc1nc2c(c(=O)[nH]c(=O)n2C[*:1])n1C
CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(C3CC3)n1C)n2C C1CC1[*:1] CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(n1C)[*:1])n2C
CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(C3CC3)n1C)n2C Cn1c(nnc1[*:1])C1CC1 CCCCn1c(=O)[nH]c(=O)c2c1nc(CS[*:1])n2C
CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(C3CC3)n1C)n2C CCCC[*:1] Cn1c(nnc1C1CC1)SCc1nc2c(c(=O)[nH]c(=O)n2[*:1])n1C
Fc1ccc([C@H](NCc2cnc(Cl)s2)C2CCC2)cc1 C1CC(C1)[*:1] Fc1ccc(cc1)[C@H](NCc1cnc(Cl)s1)[*:1]
Fc1ccc([C@H](NCc2cnc(Cl)s2)C2CCC2)cc1 Clc1ncc(s1)[*:1] Fc1ccc(cc1)[C@H](NC[*:1])C1CCC1
O=C(Nc1nc(CC(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(Cc1csc(n1)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(Nc1nc(CC(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1ccco1 c1coc(c1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(Nc1nc(CC(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1ccco1 c1ccc(cc1)C[*:1] O=C(Nc1nc(cs1)CC(=O)N1CCN(CC1)[*:1])c1ccco1
O=C(Nc1nc(CC(=O)N2CCN(Cc3ccccc3)CC2)cs1)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1nc(cs1)CC(=O)N1CCN(CC1)C[*:1])c1ccco1
CC(C)(CNC(=O)NC1CCCC1)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(CNC(=O)NC1CCCC1)NC(=O)O[*:1]
CC(C)(CNC(=O)NC1CCCC1)NC(=O)OC(C)(C)C C1CCC(C1)[*:1] CC(C)(CNC(=O)N[*:1])NC(=O)OC(C)(C)C
[NH3+]Cc1ccc(C(=O)N2[C@H]3CCCC[C@@H]3C[C@@H]2C(=O)[O-])o1 O=C([O-])[*:1] [NH3+]Cc1ccc(o1)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1[*:1]
[NH3+]Cc1ccc(C(=O)N2[C@H]3CCCC[C@@H]3C[C@@H]2C(=O)[O-])o1 [NH3+]Cc1ccc(o1)[*:1] O=C([O-])[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1 COc1ccccc1[*:1] C[C@@H]1CCC[C@H](NC(=O)c2ccc(cc2)S(=O)(=O)N(C)[*:1])[C@@H]1C
Cn1cccc1CN(Cc1cccs1)C(=O)c1cccnc1 Cn1cccc1[*:1] O=C(c1cccnc1)N(Cc1cccs1)C[*:1]
Cn1cccc1CN(Cc1cccs1)C(=O)c1cccnc1 c1csc(c1)C[*:1] Cn1cccc1CN(C(=O)c1cccnc1)[*:1]
Cn1cccc1CN(Cc1cccs1)C(=O)c1cccnc1 Cn1cccc1C[*:1] O=C(c1cccnc1)N(Cc1cccs1)[*:1]
Cn1cccc1CN(Cc1cccs1)C(=O)c1cccnc1 c1cncc(c1)[*:1] Cn1cccc1CN(Cc1cccs1)C(=O)[*:1]
Cn1cccc1CN(Cc1cccs1)C(=O)c1cccnc1 c1csc(c1)[*:1] Cn1cccc1CN(C[*:1])C(=O)c1cccnc1
CNC(=O)c1ccc(NC(=O)[C@@H](C)n2cnc3ccccc32)cc1 CNC(=O)[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])n1cnc2ccccc21
CC(C)(C(=O)NCc1cc2ccccc2o1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)(C(=O)NCc1cc2ccccc2o1)[*:1]
CCn1nc(C)c(NC(=O)CN[C@H](C)c2ccccc2-n2cccn2)c1C CCn1nc(C)c(c1C)[*:1] C[C@@H](NCC(=O)N[*:1])c1ccccc1-n1cccn1
CCn1nc(C)c(NC(=O)CN[C@H](C)c2ccccc2-n2cccn2)c1C c1cnn(c1)[*:1] CCn1nc(C)c(NC(=O)CN[C@H](C)c2ccccc2[*:1])c1C
COc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)C)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)[C@H](C)[NH2+][C@@H](C)[*:1]
COc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)[C@H](C)[NH2+][C@@H](C)C[*:1]
CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2OC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)C(=O)N1CCC[C@@H]1c1ccccc1OC
CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2OC)cc1[N+](=O)[O-] COc1ccccc1[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)C(=O)N1CCC[C@H]1[*:1]
C=CCn1nc(SC[C@@H](O)CO)nc1-c1ccc(Br)cc1 OC[C@H](O)CS[*:1] C=CCn1nc(nc1-c1ccc(Br)cc1)[*:1]
C=CCn1nc(SC[C@@H](O)CO)nc1-c1ccc(Br)cc1 OC[C@H](O)[*:1] C=CCn1nc(nc1-c1ccc(Br)cc1)SC[*:1]
C=CCn1nc(SC[C@@H](O)CO)nc1-c1ccc(Br)cc1 C=CC[*:1] OC[C@H](O)CSc1nc(-c2ccc(Br)cc2)n(n1)[*:1]
C=CCn1nc(SC[C@@H](O)CO)nc1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C=CCn1nc(nc1[*:1])SC[C@@H](O)CO
C=CCn1nc(SC[C@@H](O)CO)nc1-c1ccc(Br)cc1 OC[C@H](O)C[*:1] C=CCn1nc(nc1-c1ccc(Br)cc1)S[*:1]
CCOc1ccc2cc(C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)[nH]c2c1 CCO[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)c1cc2ccc(cc2[nH]1)[*:1]
CCOc1ccc2cc(C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)[nH]c2c1 NC(=O)[*:1] CCOc1ccc2cc([nH]c2c1)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
CC[C@H]([NH2+]Cc1csc(-c2ccc(C)cc2)n1)C(=O)N1CCOCC1 Cc1ccc(cc1)[*:1] CC[C@H]([NH2+]Cc1csc(n1)[*:1])C(=O)N1CCOCC1
CC[C@H]([NH2+]Cc1csc(-c2ccc(C)cc2)n1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H]([NH2+]Cc1csc(n1)-c1ccc(C)cc1)[*:1]
CC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2Cc3ccccc3O2)cc1 CC(=O)[*:1] O=C(NC[C@H]1Cc2ccccc2O1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C2=N[NH+]=C(N3CCN(C(=O)C(C)C)CC3)SC2)cc1 COc1ccc(cc1)[*:1] CC(C)C(=O)N1CCN(CC1)C1=[NH+]N=C(CS1)[*:1]
COc1ccc(C2=N[NH+]=C(N3CCN(C(=O)C(C)C)CC3)SC2)cc1 CC(C)[*:1] COc1ccc(cc1)C1CSC(=[NH+]N=1)N1CCN(CC1)C(=O)[*:1]
Cc1ccccc1CN1C[C@@H](c2noc(-c3cccc(C#N)c3)n2)CC1=O Cc1ccccc1[*:1] N#Cc1cccc(c1)-c1nc(no1)[C@H]1CC(=O)N(C1)C[*:1]
Cc1ccccc1CN1C[C@@H](c2noc(-c3cccc(C#N)c3)n2)CC1=O N#Cc1cccc(c1)[*:1] Cc1ccccc1CN1C[C@H](CC1=O)c1noc(n1)[*:1]
Cc1ccccc1CN1C[C@@H](c2noc(-c3cccc(C#N)c3)n2)CC1=O Cc1ccccc1C[*:1] N#Cc1cccc(c1)-c1nc(no1)[C@H]1CC(=O)N(C1)[*:1]
Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C(C)(C)C CC(C)(C)[*:1] Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)[*:1]
COC(=O)c1cccc(S(=O)(=O)NCc2csc(C3CC3)n2)c1 C1CC1[*:1] COC(=O)c1cccc(c1)S(=O)(=O)NCc1csc(n1)[*:1]
COC(=O)c1cccc(S(=O)(=O)NCc2csc(C3CC3)n2)c1 COC(=O)[*:1] O=S(=O)(NCc1csc(n1)C1CC1)c1cccc(c1)[*:1]
N#Cc1c(Cl)nsc1N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] N#Cc1c(Cl)nsc1N[C@@H]1CCCN(C1=O)[*:1]
N#Cc1c(Cl)nsc1N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] N#Cc1c(Cl)nsc1N[C@@H]1CCCN(C[*:1])C1=O
CC(C)(C)c1csc(C[C@@H](O)C2(c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] CC(C)(C)c1csc(C[C@@H](O)C2(CC2)[*:1])n1
CC(C)(C)c1csc(C[C@@H](O)C2(c3ccccc3)CC2)n1 CC(C)(C)[*:1] O[C@H](Cc1nc(cs1)[*:1])C1(CC1)c1ccccc1
CCCCC/C(C)=C(\C#N)C(=O)NC(N)=S CCC[*:1] C/C(CC[*:1])=C(/C#N)C(=O)NC(N)=S
CCCCC/C(C)=C(\C#N)C(=O)NC(N)=S CCCCC[*:1] CC(=C(C#N)C(=O)NC(N)=S)[*:1]
CCCCC/C(C)=C(\C#N)C(=O)NC(N)=S CCCC[*:1] C/C(C[*:1])=C(/C#N)C(=O)NC(N)=S
CCSCC[C@@H](C)NC(=O)C(=O)Nc1ccc2nc(C)sc2c1 CCS[*:1] Cc1nc2ccc(cc2s1)NC(=O)C(=O)N[C@H](C)CC[*:1]
CCSCC[C@@H](C)NC(=O)C(=O)Nc1ccc2nc(C)sc2c1 CCSCC[*:1] Cc1nc2ccc(cc2s1)NC(=O)C(=O)N[C@H](C)[*:1]
CCSCC[C@@H](C)NC(=O)C(=O)Nc1ccc2nc(C)sc2c1 CCSC[*:1] Cc1nc2ccc(cc2s1)NC(=O)C(=O)N[C@H](C)C[*:1]
CCOC(=O)C[NH2+][C@H]1CCCCC1(C)C CCOC(=O)[*:1] CC1(C)CCCC[C@@H]1[NH2+]C[*:1]
CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@@H]2[*:1]
CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 c1coc(c1)[*:1] CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1[*:1])NC(=O)C[C@H]2c1cccc(c1)[N+](=O)[O-]
CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@H]2c1cccc(c1)[*:1]
CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 CCOC(=O)[*:1] O=C1C[C@H](C2C(=O)[C@@H]([C@H](CC=2N1)c1ccco1)[*:1])c1cccc(c1)[N+](=O)[O-]
COc1ncccc1Cn1ccc(C(=O)C2CC2)c1 C1CC1[*:1] COc1ncccc1Cn1ccc(c1)C(=O)[*:1]
COc1ncccc1Cn1ccc(C(=O)C2CC2)c1 O=C(C1CC1)[*:1] COc1ncccc1Cn1ccc(c1)[*:1]
COC(=O)CCNc1n[nH]c(=O)[nH]c1=O COC(=O)C[*:1] O=c1[nH]nc(NC[*:1])c(=O)[nH]1
COC(=O)CCNc1n[nH]c(=O)[nH]c1=O COC(=O)[*:1] O=c1[nH]nc(NCC[*:1])c(=O)[nH]1
COC(=O)[C@@H]1CN(C(=O)C2(CC(C)C)CCCC2)C[C@H]1C CC(C)C[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)C1(CCCC1)[*:1]
COC(=O)[C@@H]1CN(C(=O)C2(CC(C)C)CCCC2)C[C@H]1C COC(=O)[*:1] CC(C)CC1(CCCC1)C(=O)N1C[C@@H](C)[C@@H](C1)[*:1]
COC(=O)[C@@H]1CN(C(=O)C2(CC(C)C)CCCC2)C[C@H]1C CC(C)[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)C1(CCCC1)C[*:1]
Cc1noc([C@H](C)Sc2nnc(COc3ccccc3)n2N)n1 Cc1noc(n1)[*:1] C[C@H](Sc1nnc(COc2ccccc2)n1N)[*:1]
Cc1noc([C@H](C)Sc2nnc(COc3ccccc3)n2N)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@H](C)Sc1nnc(CO[*:1])n1N
Cc1noc([C@H](C)Sc2nnc(COc3ccccc3)n2N)n1 c1ccc(cc1)O[*:1] Cc1noc(n1)[C@H](C)Sc1nnc(C[*:1])n1N
[NH3+]CCNc1cc(C(F)(F)F)cc(N2CCCC2)n1 FC(F)(F)[*:1] [NH3+]CCNc1cc(cc(n1)N1CCCC1)[*:1]
[NH3+]CCNc1cc(C(F)(F)F)cc(N2CCCC2)n1 C1CCN(C1)[*:1] [NH3+]CCNc1cc(cc(n1)[*:1])C(F)(F)F
[NH3+]CCNc1cc(C(F)(F)F)cc(N2CCCC2)n1 [NH3+]CCN[*:1] FC(F)(F)c1cc(nc(c1)[*:1])N1CCCC1
CCCN(C(=O)c1coc(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(c1coc(n1)-c1ccccc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCN(C(=O)c1coc(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCN(C(=O)c1coc(n1)[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccccc1[C@@H]1CN(C(=O)c2cc(C(C)C)nc(N)n2)C[C@H]1C(=O)[O-] CC(C)[*:1] COc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)c1cc(nc(N)n1)[*:1]
COc1ccccc1[C@@H]1CN(C(=O)c2cc(C(C)C)nc(N)n2)C[C@H]1C(=O)[O-] O=C([O-])[*:1] COc1ccccc1[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cc(nc(N)n1)C(C)C
COc1ccccc1[C@@H]1CN(C(=O)c2cc(C(C)C)nc(N)n2)C[C@H]1C(=O)[O-] COc1ccccc1[*:1] CC(C)c1cc(nc(N)n1)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C1)[*:1]
CS(=O)(=O)c1cccc(S(=O)(=O)N2CCCn3c(cc4ccccc43)C2)c1 CS(=O)(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCCn2c(cc3ccccc32)C1
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1Cl)NC(=O)c1ccc(cc1)[*:1]
Cc1cccc2c(=O)cc(C(=O)Nc3ccccc3F)oc12 Fc1ccccc1[*:1] Cc1cccc2c(=O)cc(oc12)C(=O)N[*:1]
Cc1cccc(N(C)C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 Cc1cccc(n1)[*:1] CN(C(=O)[C@@H]1CCC[C@H](C1)C(F)(F)F)[*:1]
Cc1cccc(N(C)C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 FC(F)(F)[*:1] Cc1cccc(n1)N(C)C(=O)[C@@H]1CCC[C@@H](C1)[*:1]
C[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 C[C@@H]1CCN(C1)C(=O)[*:1] O=S(=O)(c1cc(ccc1Cl)[*:1])N1CCCCC1
CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccccc1[*:1]
CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccccc1N1CCCC1 CS(=O)(=O)N[*:1] O=C(Nc1ccccc1N1CCCC1)N1CCCC[C@H]1C[*:1]
CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccccc1N1CCCC1 CS(=O)(=O)NC[*:1] O=C(Nc1ccccc1N1CCCC1)N1CCCC[C@H]1[*:1]
CC[C@@H](CO)NC(=O)/C([O-])=N/c1nnc(CC(C)C)s1 CC(C)C[*:1] CC[C@@H](CO)NC(=O)/C([O-])=N/c1nnc(s1)[*:1]
CC[C@@H](CO)NC(=O)/C([O-])=N/c1nnc(CC(C)C)s1 CC(C)[*:1] CC[C@@H](CO)NC(=O)/C([O-])=N/c1nnc(C[*:1])s1
CC[C@@H](CO)NC(=O)/C([O-])=N/c1nnc(CC(C)C)s1 CC[C@@H](CO)[*:1] CC(C)Cc1nnc(/N=C(\[O-])C(=O)N[*:1])s1
O=C(NCCc1cccs1)C1CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2O3)CC1 c1csc(c1)CC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@H]1C[C@H]2CC[C@@H]1O2
O=C(NCCc1cccs1)C1CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2O3)CC1 c1csc(c1)C[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)[C@H]1C[C@H]2CC[C@@H]1O2
O=C(NCCc1cccs1)C1CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2O3)CC1 c1csc(c1)[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)[C@H]1C[C@H]2CC[C@@H]1O2
COc1nc(Oc2ccc(C(C)C)c(C)c2)ccc1N CC(C)[*:1] COc1nc(ccc1N)Oc1ccc(c(C)c1)[*:1]
C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C(=O)N1c1ccccc1 C1CC1[*:1] C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC2)C[*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC2)CC2CC2)C(=O)N1[*:1]
C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC3CC3)CC2)C(=O)N1c1ccccc1 C1CC1C[*:1] C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC2)[*:1])C(=O)N1c1ccccc1
COc1cccc([C@@H](O)CNC(=O)[C@H]2CN(C)CCO2)c1 CN1CCO[C@H](C1)[*:1] COc1cccc(c1)[C@@H](O)CNC(=O)[*:1]
COc1ccc(CNC(=O)CN2C(=O)CCn3nc(-c4ccc(Cl)cc4)cc32)cc1 COc1ccc(cc1)[*:1] O=C(CN1C(=O)CCn2nc(cc21)-c1ccc(Cl)cc1)NC[*:1]
COc1ccc(CNC(=O)CN2C(=O)CCn3nc(-c4ccc(Cl)cc4)cc32)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)CN1C(=O)CCn2nc(cc21)[*:1]
COc1ccc(CNC(=O)CN2C(=O)CCn3nc(-c4ccc(Cl)cc4)cc32)cc1 COc1ccc(cc1)C[*:1] O=C(CN1C(=O)CCn2nc(cc21)-c1ccc(Cl)cc1)N[*:1]
C[C@H]1CCOCCN1C(=O)N[C@H](C)Cn1cncn1 c1ncn(C[*:1])n1 C[C@H]1CCOCCN1C(=O)N[C@H](C)[*:1]
C[C@H]1CCOCCN1C(=O)N[C@H](C)Cn1cncn1 c1ncn(n1)[*:1] C[C@H]1CCOCCN1C(=O)N[C@H](C)C[*:1]
O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 Fc1ccc(cc1)[*:1] O=C(N[C@@H]([C@H]1CCCO1)[*:1])c1ccc(cc1)N1CCOCC1
O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(cc1)[*:1]
COc1ccnc(COC(=O)/C=C(/C)C(C)(C)C)c1 CC(C)(C)[*:1] COc1ccnc(c1)COC(=O)C=C(C)[*:1]
CC(C)N(Cc1nc2ccccc2s1)CC(F)(F)F FC(F)(F)[*:1] CC(C)N(Cc1nc2ccccc2s1)C[*:1]
CC(C)N(Cc1nc2ccccc2s1)CC(F)(F)F FC(F)(F)C[*:1] CC(C)N(Cc1nc2ccccc2s1)[*:1]
CC(C)N(Cc1nc2ccccc2s1)CC(F)(F)F CC(C)[*:1] FC(F)(F)CN(Cc1nc2ccccc2s1)[*:1]
C[C@H]1CCCN(C(=O)CNc2ccccc2C(=O)N2CCOCC2)C1 O=C(N1CCOCC1)[*:1] C[C@H]1CCCN(C1)C(=O)CNc1ccccc1[*:1]
COc1ccc(NC(=O)Nc2nnc([C@H](C)Oc3ccccc3)s2)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)NC(=O)Nc1nnc(s1)[C@H](C)[*:1]
COc1ccc(NC(=O)Nc2nnc([C@H](C)Oc3ccccc3)s2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Nc1nnc(s1)[C@H](C)O[*:1]
COc1ccc(NC(=O)Nc2nnc([C@H](C)Oc3ccccc3)s2)cc1 COc1ccc(cc1)[*:1] C[C@H](Oc1ccccc1)c1nnc(NC(=O)N[*:1])s1
Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCCCC4)cc3N2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)[*:1])N1CCCCCC1
Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCCCC4)cc3N2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@H]1C[C@H](n2nc(cc2N1)C(=O)N1CCCCCC1)[*:1]
Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCCCC4)cc3N2)cc1 O=C(N1CCCCCC1)[*:1] Cc1ccc(cc1)[C@H]1C[C@@H](n2nc(cc2N1)[*:1])C(F)(F)F
Cc1ccc(Cn2ncc3c(N4CC[NH+](Cc5ccc(Cl)c(Cl)c5)CC4)ncnc32)cc1 Clc1ccc(cc1Cl)[*:1] Cc1ccc(cc1)Cn1ncc2c(ncnc21)N1CC[NH+](CC1)C[*:1]
Cc1ccc(Cn2ncc3c(N4CC[NH+](Cc5ccc(Cl)c(Cl)c5)CC4)ncnc32)cc1 Cc1ccc(cc1)[*:1] Clc1ccc(cc1Cl)C[NH+]1CCN(CC1)c1ncnc2c1cnn2C[*:1]
Cc1ccc(Cn2ncc3c(N4CC[NH+](Cc5ccc(Cl)c(Cl)c5)CC4)ncnc32)cc1 Clc1ccc(cc1Cl)C[*:1] Cc1ccc(cc1)Cn1ncc2c(ncnc21)N1CC[NH+](CC1)[*:1]
Cc1ccc(Cn2ncc3c(N4CC[NH+](Cc5ccc(Cl)c(Cl)c5)CC4)ncnc32)cc1 Cc1ccc(cc1)C[*:1] Clc1ccc(cc1Cl)C[NH+]1CCN(CC1)c1ncnc2c1cnn2[*:1]
O=C(Nc1ccccc1N1CCCCC1)OCCO C1CCN(CC1)[*:1] O=C(Nc1ccccc1[*:1])OCCO
O=C(Nc1ccccc1N1CCCCC1)OCCO OCC[*:1] O=C(Nc1ccccc1N1CCCCC1)O[*:1]
NC(=O)[C@@H]1COCCN1C(=O)c1ccc(SCc2ccccc2)cc1 c1ccc(cc1)CS[*:1] NC(=O)[C@@H]1COCCN1C(=O)c1ccc(cc1)[*:1]
NC(=O)[C@@H]1COCCN1C(=O)c1ccc(SCc2ccccc2)cc1 NC(=O)[*:1] O=C(c1ccc(cc1)SCc1ccccc1)N1CCOC[C@H]1[*:1]
NC(=O)[C@@H]1COCCN1C(=O)c1ccc(SCc2ccccc2)cc1 c1ccc(cc1)C[*:1] NC(=O)[C@@H]1COCCN1C(=O)c1ccc(cc1)S[*:1]
NC(=O)[C@@H]1COCCN1C(=O)c1ccc(SCc2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1COCCN1C(=O)c1ccc(cc1)SC[*:1]
Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@](C)(O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@](C)(O)c1ccc(cc1)[*:1]
Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@](C)(O)c1ccc(-c2ccccc2)cc1 Cc1ccc(Cl)cc1[*:1] C[C@](O)(CNC(=O)C(=O)N[*:1])c1ccc(cc1)-c1ccccc1
CC[C@@H]1CCCC[C@@H]1Oc1c(F)cc(CC[NH3+])cc1F [NH3+]CC[*:1] CC[C@@H]1CCCC[C@@H]1Oc1c(F)cc(cc1F)[*:1]
Cc1cccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)c1C c1ccc(cc1)C[*:1] Cc1cccc(NC(=O)CCS(=O)(=O)[*:1])c1C
Cc1cccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)CCS(=O)(=O)C[*:1])c1C
CC[C@@H](C)[C@@H](C)Nc1cccc(F)c1C(=O)[O-] CC[C@@H](C)[*:1] C[C@@H](Nc1cccc(F)c1C(=O)[O-])[*:1]
CC[C@@H](C)[C@@H](C)Nc1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@@H](C)Nc1cccc(F)c1[*:1]
CCN[C@@H](c1cnn(C)c1)C(C)(C)[NH+](C)C CCN[*:1] Cn1cc(cn1)[C@@H](C(C)(C)[NH+](C)C)[*:1]
Cc1occc1C(=O)NCC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 Cc1occc1[*:1] C[C@H]1CN(CCO1)Cc1cccc(c1)CNC(=O)CNC(=O)[*:1]
Cc1occc1C(=O)NCC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 Cc1occc1C(=O)N[*:1] C[C@H]1CN(CCO1)Cc1cccc(c1)CNC(=O)C[*:1]
C[C@@H](O)Cc1nc2ccccc2[nH]1 C[C@@H](O)[*:1] c1ccc2[nH]c(C[*:1])nc2c1
C[C@@H](O)Cc1nc2ccccc2[nH]1 C[C@@H](O)C[*:1] c1ccc2[nH]c(nc2c1)[*:1]
Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)[NH+](C)C Cn1cccc1[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)[*:1]
Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)[NH+](C)C FC(F)(F)[*:1] Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccccc1[*:1])[NH+](C)C
O=C(Cc1cc(-c2ccccc2)on1)NCc1cccs1 c1csc(c1)C[*:1] O=C(Cc1cc(on1)-c1ccccc1)N[*:1]
O=C(Cc1cc(-c2ccccc2)on1)NCc1cccs1 c1csc(c1)[*:1] O=C(Cc1cc(on1)-c1ccccc1)NC[*:1]
O=C(Cc1cc(-c2ccccc2)on1)NCc1cccs1 c1ccc(cc1)[*:1] O=C(Cc1cc(on1)[*:1])NCc1cccs1
CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 N#Cc1cccc(c1)[*:1] CN(S(=O)(=O)c1ccc2CCNC(=O)c2c1)[*:1]
O=C(NCCCn1ccnc1)c1cc(Cl)ccc1Cl c1cn(cn1)[*:1] O=C(NCCC[*:1])c1cc(Cl)ccc1Cl
O=C(NCCCn1ccnc1)c1cc(Cl)ccc1Cl c1cn(cn1)C[*:1] O=C(NCC[*:1])c1cc(Cl)ccc1Cl
CC(=O)N(C)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 CC(=O)N(C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)c(Cl)c1
Cc1ccc([C@@H](NC(=O)NNC(=O)COc2cccc(C)c2)C2CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)NNC(=O)N[C@@H](C1CC1)[*:1]
Cc1ccc([C@@H](NC(=O)NNC(=O)COc2cccc(C)c2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](NC(=O)NNC(=O)COc1cccc(C)c1)[*:1]
Cc1ccc([C@@H](NC(=O)NNC(=O)COc2cccc(C)c2)C2CC2)cc1 Cc1cccc(c1)O[*:1] Cc1ccc(cc1)[C@@H](NC(=O)NNC(=O)C[*:1])C1CC1
Cc1ccc([C@@H](NC(=O)NNC(=O)COc2cccc(C)c2)C2CC2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)NNC(=O)CO[*:1])C1CC1
Cc1ccc([C@@H](NC(=O)NNC(=O)COc2cccc(C)c2)C2CC2)cc1 Cc1cccc(c1)OC[*:1] Cc1ccc(cc1)[C@@H](NC(=O)NNC(=O)[*:1])C1CC1
C[C@H](OC(=O)c1nccnc1N)c1nc(C(C)(C)C)no1 Nc1nccnc1[*:1] C[C@H](OC(=O)[*:1])c1nc(no1)C(C)(C)C
C[C@H](OC(=O)c1nccnc1N)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](OC(=O)c1nccnc1N)c1nc(no1)[*:1]
CC(=O)Nc1ccc(C)c(NCc2nc(CC(C)C)no2)c1 CC(C)[*:1] CC(=O)Nc1ccc(C)c(c1)NCc1nc(C[*:1])no1
CC(=O)Nc1ccc(C)c(NCc2nc(CC(C)C)no2)c1 CC(C)C[*:1] CC(=O)Nc1ccc(C)c(c1)NCc1nc(no1)[*:1]
CC(=O)Nc1ccc(C)c(NCc2nc(CC(C)C)no2)c1 CC(=O)N[*:1] Cc1ccc(cc1NCc1nc(CC(C)C)no1)[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)N1CCc2cc(C(=O)OC)ccc21 COC(=O)[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N1CCc2cc(ccc21)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(OC)CC1 CCC[*:1] COC1CCN(CC1)C(=O)N[C@H](Cc1ccccc1)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(OC)CC1 c1ccc(cc1)C[*:1] CCC[C@@H](NC(=O)N1CCC(CC1)OC)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(OC)CC1 c1ccc(cc1)[*:1] CCC[C@@H](C[*:1])NC(=O)N1CCC(CC1)OC
CC[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)Cc1c[nH]c2ccccc12)[*:1]
CC(C)COC1CCN(C(=O)CCc2cc(F)ccc2F)CC1 CC(C)[*:1] O=C(CCc1cc(F)ccc1F)N1CCC(CC1)OC[*:1]
CC(C)COC1CCN(C(=O)CCc2cc(F)ccc2F)CC1 CC(C)CO[*:1] O=C(CCc1cc(F)ccc1F)N1CCC(CC1)[*:1]
CC(C)COC1CCN(C(=O)CCc2cc(F)ccc2F)CC1 CC(C)C[*:1] O=C(CCc1cc(F)ccc1F)N1CCC(CC1)O[*:1]
COC(=O)c1ccc(-c2nc(-c3cc(C)nc4ccccc34)no2)cc1 COC(=O)[*:1] Cc1cc(-c2noc(n2)-c2ccc(cc2)[*:1])c2ccccc2n1
Cc1nc(CC(C)C)sc1C(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 CC(C)[*:1] Cc1nc(C[*:1])sc1C(=O)N1C[C@H](C)O[C@@H](C1)c1ccccc1
Cc1nc(CC(C)C)sc1C(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1nc(CC(C)C)sc1C(=O)N1C[C@H](C)O[C@H](C1)[*:1]
Cc1nc(CC(C)C)sc1C(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 CC(C)C[*:1] Cc1nc(sc1C(=O)N1C[C@H](C)O[C@@H](C1)c1ccccc1)[*:1]
C[C@]1(Cn2c(=O)[nH]c3cc(C(=O)[O-])ccc32)CCCO1 O=C([O-])[*:1] C[C@@]1(CCCO1)Cn1c(=O)[nH]c2cc(ccc21)[*:1]
CCOC[C@@H]1CCCN1C(=O)Nc1ccc2sc(C(=O)N(C)C)cc2c1 CCO[*:1] CN(C)C(=O)c1cc2cc(ccc2s1)NC(=O)N1CCC[C@H]1C[*:1]
CCOC[C@@H]1CCCN1C(=O)Nc1ccc2sc(C(=O)N(C)C)cc2c1 CN(C)C(=O)[*:1] CCOC[C@@H]1CCCN1C(=O)Nc1ccc2sc(cc2c1)[*:1]
CCOC[C@@H]1CCCN1C(=O)Nc1ccc2sc(C(=O)N(C)C)cc2c1 CCOC[*:1] CN(C)C(=O)c1cc2cc(ccc2s1)NC(=O)N1CCC[C@H]1[*:1]
O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CC1 c1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)/C=C/c1cc(Cl)ccc1Cl
O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CC1 c1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)/C=C/c1cc(Cl)ccc1Cl
O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CC1 Clc1ccc(Cl)c(c1)[*:1] O=C(NCc1ccccc1)C1CCN(CC1)C(=O)C=C[*:1]
COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)nn1 CC(C)(C)[*:1] COc1ccc(nn1)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
CC(=O)Nc1cc(NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(F)cc1F Clc1ccc(cc1)[*:1] CC(=O)Nc1cc(NCC(=O)N[C@@H](C)[*:1])c(F)cc1F
CC(=O)Nc1cc(NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(F)cc1F CC(=O)N[*:1] C[C@H](NC(=O)CNc1cc(c(F)cc1F)[*:1])c1ccc(Cl)cc1
CCOc1ccccc1N(C)C(=O)c1cnn(-c2ccncc2)c1C CCO[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N(C)c1ccccc1[*:1]
CCOc1ccccc1N(C)C(=O)c1cnn(-c2ccncc2)c1C c1cc(ccn1)[*:1] CCOc1ccccc1N(C)C(=O)c1cnn(c1C)[*:1]
COC(=O)[C@H]1CCN(C(=O)c2c(F)cccc2OC)C1 COC(=O)[*:1] COc1cccc(F)c1C(=O)N1CC[C@@H](C1)[*:1]
Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 Cc1ccc(C)c(c1)[*:1] Cc1nnc(SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)n1[*:1]
CCCc1nc(C(=O)Nc2cnc(Br)cn2)n[nH]1 CCC[*:1] O=C(Nc1cnc(Br)cn1)c1n[nH]c(n1)[*:1]
Cc1nc(CSCC(=O)N2CCCc3ccccc32)sc1C Cc1nc(sc1C)[*:1] O=C(CSC[*:1])N1CCCc2ccccc21
Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)N(C)C)c(C)c1 CN(C)C(=O)[*:1] Cc1cc(C)c(c(C)c1)[C@@H](C)[NH2+]C[*:1]
Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)N(C)C)c(C)c1 CN(C)C(=O)C[*:1] Cc1cc(C)c(c(C)c1)[C@@H](C)[NH2+][*:1]
COC(=O)c1ccc(CN2CC[C@H](C[NH3+])C2)nc1 COC(=O)[*:1] [NH3+]C[C@H]1CCN(Cc2ccc(cn2)[*:1])C1
COc1cc(NC(=O)CN2CCOC[C@@H]2C2CC2)cc(OC)c1 C1CC1[*:1] COc1cc(cc(c1)OC)NC(=O)CN1CCOC[C@H]1[*:1]
COc1ccccc1CS(=O)(=O)CC(=O)Nc1ccc(Cl)cc1C COc1ccccc1[*:1] Cc1cc(Cl)ccc1NC(=O)CS(=O)(=O)C[*:1]
COc1ccccc1CS(=O)(=O)CC(=O)Nc1ccc(Cl)cc1C Cc1cc(Cl)ccc1[*:1] COc1ccccc1CS(=O)(=O)CC(=O)N[*:1]
O=C(CN1CSCC1=O)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 O=C1CSCN1[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc2NC(=O)Cc2c1
O=C(CN1CSCC1=O)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 O=C1CSCN1C[*:1] O=C1Cc2cc(ccc2N1)-c1csc(n1)NC(=O)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H](c1ccco1)N(C)C(=O)N[C@@H]1CCN(CCC[*:1])C1=O
C[C@@H](c1ccco1)N(C)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O c1ccc(cc1)CCC[*:1] C[C@@H](c1ccco1)N(C)C(=O)N[C@@H]1CCN(C1=O)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O c1ccc(cc1)CC[*:1] C[C@@H](c1ccco1)N(C)C(=O)N[C@@H]1CCN(C[*:1])C1=O
C[C@@H](c1ccco1)N(C)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O c1coc(c1)[*:1] C[C@@H](N(C)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O c1ccc(cc1)C[*:1] C[C@@H](c1ccco1)N(C)C(=O)N[C@@H]1CCN(CC[*:1])C1=O
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)Cn1cccc(C(=O)N[*:1])c1=O
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1cccn(C[*:1])c1=O
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)c1 Cc1ccc(C)c(c1)C[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1cccn(c1=O)[*:1]
Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)Cn1cccc(C(=O)Nc2ccc(cc2)[*:1])c1=O
C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ccc3c(c2)OCO3)C1=O c1cc2OCOc2cc1[*:1] C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(C1=O)[*:1]
Cc1nonc1C(=O)N1CCC[C@@H]1c1nc(C)c(F)c(=O)[nH]1 Cc1nonc1[*:1] Cc1nc([nH]c(=O)c1F)[C@H]1CCCN1C(=O)[*:1]
COc1ccc(F)c(NC(=O)NCC[C@H](O)C(C)C)c1 CC(C)[C@@H](O)C[*:1] COc1ccc(F)c(c1)NC(=O)NC[*:1]
COc1ccc(F)c(NC(=O)NCC[C@H](O)C(C)C)c1 CC(C)[*:1] COc1ccc(F)c(c1)NC(=O)NCC[C@H](O)[*:1]
COc1ccc(F)c(NC(=O)NCC[C@H](O)C(C)C)c1 CC(C)[C@@H](O)[*:1] COc1ccc(F)c(c1)NC(=O)NCC[*:1]
CCC[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCN2C1=O Clc1ccc(cc1)[*:1] CCC[C@@H]1NC(=O)[C@H]2CN(CCN2C1=O)S(=O)(=O)[*:1]
CCC[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCN2C1=O CCC[*:1] O=C1N[C@H](C(=O)N2CCN(C[C@H]12)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CC(=O)N[C@H](CC(=O)N1CCCC1)c1ccc(Cl)cc1 CC(=O)N[*:1] O=C(C[C@H](c1ccc(Cl)cc1)[*:1])N1CCCC1
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(cc2)OC)SC1=N[*:1]
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(Cl)cc1 C=CC[*:1] COc1ccc(cc1)NC(=O)C[C@@H]1S/C(=N\c2ccc(Cl)cc2)N(C1=O)[*:1]
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(Cl)cc1 COc1ccc(cc1)[*:1] C=CCN1C(=O)[C@H](CC(=O)N[*:1])S/C1=N\c1ccc(Cl)cc1
O=C(NCC[NH+]1CCCCC1)[C@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1 c1ccc2c(cccc2c1)[*:1] O=C(NCC[NH+]1CCCCC1)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(Cc1ccccn1)[C@H]1CCO[C@]2(CCOC2)C1 c1ccc(nc1)[*:1] O=C(C[*:1])[C@H]1CCO[C@]2(CCOC2)C1
C[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(N)n2)C1 O=C([O-])[*:1] C[C@@]1(CCN(C1)c1ccc(c(N)n1)[N+](=O)[O-])[*:1]
C[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(N)n2)C1 O=[N+]([O-])[*:1] C[C@@]1(CCN(C1)c1ccc(c(N)n1)[*:1])C(=O)[O-]
Cc1ccc(Nc2ncnc(NCc3ccc4c(c3)OCO4)c2[N+](=O)[O-])cc1C Cc1ccc(cc1C)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NCc1ccc2OCOc2c1
Cc1ccc(Nc2ncnc(NCc3ccc4c(c3)OCO4)c2[N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)Nc1ncnc(NCc2ccc3OCOc3c2)c1[*:1]
Cc1ccc(Nc2ncnc(NCc3ccc4c(c3)OCO4)c2[N+](=O)[O-])cc1C Cc1ccc(cc1C)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NCc1ccc2OCOc2c1
Cc1ccc(Nc2ncnc(NCc3ccc4c(c3)OCO4)c2[N+](=O)[O-])cc1C c1cc2OCOc2cc1[*:1] Cc1ccc(cc1C)Nc1ncnc(NC[*:1])c1[N+](=O)[O-]
COc1ccc([C@@H]([NH2+]Cc2nc3c(C)cccc3[nH]2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H]([NH2+]Cc1nc2c(C)cccc2[nH]1)[*:1]
COc1ccc([C@@H]([NH2+]Cc2nc3c(C)cccc3[nH]2)C(C)C)cc1 COc1ccc(cc1)[*:1] Cc1cccc2[nH]c(C[NH2+][C@@H](C(C)C)[*:1])nc12
N#CCS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] N#CCS[C@@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1[*:1]
N#CCS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C[C@H]1CCCO1 N#CC[*:1] c1ccc2=C(C[NH+]=c2c1)C1=NN[C@@H](S[*:1])N1C[C@H]1CCCO1
N#CCS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C[C@H]1CCCO1 N#CCS[*:1] c1ccc2=C(C[NH+]=c2c1)C1=NN[C@H](N1C[C@H]1CCCO1)[*:1]
N#CCS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] N#CCS[C@@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1C[*:1]
O=CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 O=C([O-])[*:1] O=CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)C1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] COC(=O)C1CC[NH+](CC1)CC(=O)NC(=O)N[*:1]
COC(=O)C1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC1 COC(=O)[*:1] CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(CC1)[*:1]
CCS(=O)(=O)C[C@@H](C)N(C)Cc1cccn1C CCS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)Cc1cccn1C
C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)CN1CCCC1=O)[*:1]
C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)cc1 O=C1CCCN1C[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)cc1 O=C1CCCN1[*:1] C[C@H](NC(=O)c1ccc(cc1)C[*:1])c1ccc(Cl)cc1
CCCNC(=O)[C@H](CC)Oc1ccccc1OC CCCNC(=O)[*:1] CC[C@H](Oc1ccccc1OC)[*:1]
CCCNC(=O)[C@H](CC)Oc1ccccc1OC CCC[*:1] CC[C@H](Oc1ccccc1OC)C(=O)N[*:1]
CS(=O)(=O)NCCNC(=O)c1cnn(-c2ccccc2)n1 CS(=O)(=O)N[*:1] O=C(NCC[*:1])c1cnn(n1)-c1ccccc1
CS(=O)(=O)NCCNC(=O)c1cnn(-c2ccccc2)n1 CS(=O)(=O)NC[*:1] O=C(NC[*:1])c1cnn(n1)-c1ccccc1
CS(=O)(=O)NCCNC(=O)c1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CS(=O)(=O)NCCNC(=O)c1cnn(n1)[*:1]
CS(=O)(=O)NCCNC(=O)c1cnn(-c2ccccc2)n1 CS(=O)(=O)NCC[*:1] O=C(N[*:1])c1cnn(n1)-c1ccccc1
CC(=O)c1ccc(SCC(=O)Nc2ccc3oc(C)nc3c2)c(F)c1 CC(=O)[*:1] Cc1nc2cc(ccc2o1)NC(=O)CSc1ccc(cc1F)[*:1]
CC[C@@H](C)NC(=O)NCc1ccc(F)cc1 CC[C@@H](C)[*:1] O=C(NCc1ccc(F)cc1)N[*:1]
COC(=O)c1nc(-c2ccccc2)oc1NNC(C)=O COC(=O)[*:1] CC(=O)NNc1oc(nc1[*:1])-c1ccccc1
COC(=O)c1nc(-c2ccccc2)oc1NNC(C)=O c1ccc(cc1)[*:1] COC(=O)c1nc(oc1NNC(C)=O)[*:1]
COC(=O)c1nc(-c2ccccc2)oc1NNC(C)=O CC(=O)NN[*:1] COC(=O)c1nc(oc1[*:1])-c1ccccc1
COCCN(CC(C)C)C(=O)CC1(O)CCCCC1 CC(C)C[*:1] COCCN(C(=O)CC1(O)CCCCC1)[*:1]
COCCN(CC(C)C)C(=O)CC1(O)CCCCC1 COCC[*:1] CC(C)CN(C(=O)CC1(O)CCCCC1)[*:1]
COCCN(CC(C)C)C(=O)CC1(O)CCCCC1 COC[*:1] CC(C)CN(C[*:1])C(=O)CC1(O)CCCCC1
COCCN(CC(C)C)C(=O)CC1(O)CCCCC1 CC(C)[*:1] COCCN(C[*:1])C(=O)CC1(O)CCCCC1
CCc1nc(-c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)no1 Fc1cc(Br)ccc1[*:1] CCc1nc(no1)-c1ccc(cc1)C(=O)N[*:1]
CCc1nc(-c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)no1 CCc1nc(no1)[*:1] O=C(Nc1ccc(Br)cc1F)c1ccc(cc1)[*:1]
CN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C#N)cc1 Clc1cccc(Cl)c1[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc(C#N)cc1
CN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)[*:1]
Cc1c(Br)cccc1C(=O)NC[C@@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(Br)cccc1C(=O)NC[C@@H](CCO)[*:1]
Cc1c(Br)cccc1C(=O)NC[C@@H](CCO)c1ccccc1 OCC[*:1] Cc1c(Br)cccc1C(=O)NC[C@@H](c1ccccc1)[*:1]
Cn1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O NS(=O)(=O)[*:1] Cn1nc(C(=O)NCc2ccc(cc2)[*:1])c2ccccc2c1=O
CCOc1cc(CNC(=O)Cn2c(=O)[nH]c3ccccc32)ccn1 CCO[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)NCc1ccnc(c1)[*:1]
Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc[nH]c1 c1cc(c[nH]1)[*:1] Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[*:1]
Cc1cc(=O)oc2cc(OCCOc3ccccc3)c([N+](=O)[O-])cc12 c1ccc(cc1)OC[*:1] Cc1cc(=O)oc2cc(OC[*:1])c(cc12)[N+](=O)[O-]
Cc1cc(=O)oc2cc(OCCOc3ccccc3)c([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] Cc1cc(=O)oc2cc(OCCOc3ccccc3)c(cc12)[*:1]
Cc1cc(=O)oc2cc(OCCOc3ccccc3)c([N+](=O)[O-])cc12 c1ccc(cc1)[*:1] Cc1cc(=O)oc2cc(OCCO[*:1])c(cc12)[N+](=O)[O-]
Cc1cc(=O)oc2cc(OCCOc3ccccc3)c([N+](=O)[O-])cc12 c1ccc(cc1)O[*:1] Cc1cc(=O)oc2cc(OCC[*:1])c(cc12)[N+](=O)[O-]
CC(=O)[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 CC(=O)[*:1] c1csc(c1)C1C[C@H]2c3ccccc3O[C@@H](N2N=1)[*:1]
CC(=O)[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 c1csc(c1)[*:1] CC(=O)[C@H]1Oc2ccccc2[C@@H]2CC(=NN21)[*:1]
Cc1ccc(F)c(S(=O)(=O)N[C@@H](C)c2nnnn2-c2ccccc2)c1 Cc1ccc(F)c(c1)[*:1] C[C@H](NS(=O)(=O)[*:1])c1nnnn1-c1ccccc1
Cc1ccc(F)c(S(=O)(=O)N[C@@H](C)c2nnnn2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(F)c(c1)S(=O)(=O)N[C@@H](C)c1nnnn1[*:1]
Cc1cc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)no1 Cc1cc(no1)[*:1] O=C(C[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
Cc1cc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)no1 Cc1cc(C[*:1])no1 O=C(N1CCc2ccc(cc2C1)[N+](=O)[O-])[*:1]
Cc1cc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)no1 O=[N+]([O-])[*:1] Cc1cc(CC(=O)N2CCc3ccc(cc3C2)[*:1])no1
C[C@H](C(=O)Nc1ccc2c(c1)COC2)c1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@H](C(=O)Nc1ccc2COCc2c1)[*:1]
CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2cccc2)nc1 CC(C)[*:1] O=C1NCCN(C(=O)c2ccc(nc2)-n2cccc2)[C@@H]1[*:1]
CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(nc1)[*:1]
CCc1nn(C)cc1NC(=O)Nc1cccc(Cl)c1OCCOC COC[*:1] CCc1nn(C)cc1NC(=O)Nc1cccc(Cl)c1OC[*:1]
CCc1nn(C)cc1NC(=O)Nc1cccc(Cl)c1OCCOC COCCO[*:1] CCc1nn(C)cc1NC(=O)Nc1cccc(Cl)c1[*:1]
CCc1nn(C)cc1NC(=O)Nc1cccc(Cl)c1OCCOC COCC[*:1] CCc1nn(C)cc1NC(=O)Nc1cccc(Cl)c1O[*:1]
CCc1nn(C)cc1NC(=O)Nc1cccc(Cl)c1OCCOC CCc1nn(C)cc1[*:1] COCCOc1c(Cl)cccc1NC(=O)N[*:1]
CNC(=O)C(C[C@@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)C(C[C@@H](C)[NH+](C)C)(c1ccccc1)[*:1]
CNC(=O)C(C[C@@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1 CNC(=O)[*:1] C[C@H](CC(c1ccccc1)(c1ccccc1)[*:1])[NH+](C)C
Cc1ccc([S@](=O)CC(=O)c2cc(C)c(O)c(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(cc(C)c1O)C(=O)C[S@@](=O)[*:1]
O=C(NCc1ccccc1F)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 Fc1ccccc1[*:1] O=C(NC[*:1])N[C@@H](c1ccc2OCCOc2c1)C1CC1
O=C(NCc1ccccc1F)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] O=C(NCc1ccccc1F)N[C@@H](c1ccc2OCCOc2c1)[*:1]
O=C(NCc1ccccc1F)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 Fc1ccccc1C[*:1] O=C(N[C@@H](c1ccc2OCCOc2c1)C1CC1)N[*:1]
O=C([O-])[C@H]1CS[C@@H](c2ccc(COc3c(Cl)cccc3Cl)o2)[NH2+]1 O=C([O-])[*:1] Clc1cccc(Cl)c1OCc1ccc(o1)[C@H]1[NH2+][C@H](CS1)[*:1]
CC[C@H](C)C(=O)OCC(=O)Nc1ccc(C)cc1Cl CC[C@H](C)[*:1] Cc1ccc(NC(=O)COC(=O)[*:1])c(Cl)c1
C[C@H](CCCO)NS(=O)(=O)c1cccc2cnccc12 OCC[*:1] C[C@H](C[*:1])NS(=O)(=O)c1cccc2cnccc12
C[C@H](CCCO)NS(=O)(=O)c1cccc2cnccc12 C[C@H](CCCO)[*:1] O=S(=O)(N[*:1])c1cccc2cnccc12
C[C@H](CCCO)NS(=O)(=O)c1cccc2cnccc12 OCCC[*:1] C[C@H](NS(=O)(=O)c1cccc2cnccc12)[*:1]
Cn1c(C2CC2)nc2cc(NC(=O)[C@@H]3COc4ccccc43)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)[C@@H]1COc2ccccc21)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1cccc(Cl)c1C)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@H](CC(=O)Nc1cccc(Cl)c1C)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1cccc(Cl)c1C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1cccc(Cl)c1C)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1cccc(Cl)c1C)c1ccc(C)cc1 Cc1c(Cl)cccc1[*:1] CC(=O)N[C@@H](CC(=O)N[*:1])c1ccc(C)cc1
Cc1nc(C)c(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H](CCc1ccccc1)[*:1]
Cc1nc(C)c(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)o1 c1ccc(cc1)CC[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1nc(C)c(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H](CC[*:1])c1ccccc1
Cc1nc(C)c(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)o1 Cc1nc(C)c(o1)[*:1] O=C(N[C@@H](CCc1ccccc1)c1ccccc1)[*:1]
Cc1nc(C)c(C(=O)N[C@@H](CCc2ccccc2)c2ccccc2)o1 c1ccc(cc1)C[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H](C[*:1])c1ccccc1
CSc1nsc(NC(=O)CCc2ccc(OC(C)C)cc2)n1 CSc1nsc(n1)[*:1] CC(C)Oc1ccc(cc1)CCC(=O)N[*:1]
CSc1nsc(NC(=O)CCc2ccc(OC(C)C)cc2)n1 CC(C)O[*:1] CSc1nsc(n1)NC(=O)CCc1ccc(cc1)[*:1]
CSc1nsc(NC(=O)CCc2ccc(OC(C)C)cc2)n1 CC(C)[*:1] CSc1nsc(n1)NC(=O)CCc1ccc(cc1)O[*:1]
O=C(c1ccccn1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 c1ccc(nc1)[*:1] O=C([C@H]1C[C@@H]1c1ccc2OCOc2c1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccccn1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(c1ccccn1)N1CCN(CC1)C(=O)[C@H]1C[C@H]1[*:1]
CCSCCn1nnc(-c2ccccc2)n1 CCS[*:1] c1ccc(cc1)-c1nnn(CC[*:1])n1
CCSCCn1nnc(-c2ccccc2)n1 CCSC[*:1] c1ccc(cc1)-c1nnn(C[*:1])n1
CCSCCn1nnc(-c2ccccc2)n1 CCSCC[*:1] c1ccc(cc1)-c1nnn(n1)[*:1]
Cc1cccc(C[NH+]2CCC3(CC2)CC(=O)N(Cc2c(C)noc2C)C3)c1 Cc1cccc(c1)[*:1] Cc1noc(C)c1CN1CC2(CC[NH+](CC2)C[*:1])CC1=O
Cc1cccc(C[NH+]2CCC3(CC2)CC(=O)N(Cc2c(C)noc2C)C3)c1 Cc1noc(C)c1C[*:1] Cc1cccc(c1)C[NH+]1CCC2(CC1)CC(=O)N(C2)[*:1]
Cc1cccc(C[NH+]2CCC3(CC2)CC(=O)N(Cc2c(C)noc2C)C3)c1 Cc1cccc(c1)C[*:1] Cc1noc(C)c1CN1CC2(CC[NH+](CC2)[*:1])CC1=O
Cc1cccc(C[NH+]2CCC3(CC2)CC(=O)N(Cc2c(C)noc2C)C3)c1 Cc1noc(C)c1[*:1] Cc1cccc(c1)C[NH+]1CCC2(CC1)CC(=O)N(C2)C[*:1]
COC(=O)CC[C@@H]1[C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)[C@H]2CC[C@@]1(C)C(=O)OC COC(=O)[*:1] COC(=O)CC[C@@H]1[C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)[C@H]2CC[C@]1(C)[*:1]
COC(=O)CC[C@@H]1[C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)[C@H]2CC[C@@]1(C)C(=O)OC COC(=O)[*:1] COC(=O)[C@]1(C)CC[C@H]2[C@@H](CC=C3C[C@@H](O)CC[C@@]32C)[C@H]1CC[*:1]
COC(=O)CC[C@@H]1[C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)[C@H]2CC[C@@]1(C)C(=O)OC COC(=O)C[*:1] COC(=O)[C@]1(C)CC[C@H]2[C@@H](CC=C3C[C@@H](O)CC[C@@]32C)[C@H]1C[*:1]
COC(=O)CC[C@@H]1[C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)[C@H]2CC[C@@]1(C)C(=O)OC COC(=O)CC[*:1] COC(=O)[C@]1(C)CC[C@H]2[C@@H](CC=C3C[C@@H](O)CC[C@@]32C)[C@H]1[*:1]
CCCCC(=O)NCC1(O)CCCCCC1 CCCC[*:1] O=C(NCC1(O)CCCCCC1)[*:1]
CCCCC(=O)NCC1(O)CCCCCC1 CCC[*:1] O=C(C[*:1])NCC1(O)CCCCCC1
CCN(C(=O)c1cc(C(C)C)nn1C)[C@@H](C)C(C)C CC(C)[*:1] CCN(C(=O)c1cc(nn1C)[*:1])[C@@H](C)C(C)C
CCN(C(=O)c1cc(C(C)C)nn1C)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCN(C(=O)c1cc(nn1C)C(C)C)[*:1]
CCN(C(=O)c1cc(C(C)C)nn1C)[C@@H](C)C(C)C CC(C)[*:1] CCN(C(=O)c1cc(nn1C)C(C)C)[C@@H](C)[*:1]
CN(CCOCC1CC1)C(=O)c1ccc(-c2ccccc2)n1C C1CC1[*:1] CN(CCOC[*:1])C(=O)c1ccc(-c2ccccc2)n1C
CN(CCOCC1CC1)C(=O)c1ccc(-c2ccccc2)n1C C(C[*:1])OCC1CC1 CN(C(=O)c1ccc(-c2ccccc2)n1C)[*:1]
CN(CCOCC1CC1)C(=O)c1ccc(-c2ccccc2)n1C C1CC1C[*:1] CN(CCO[*:1])C(=O)c1ccc(-c2ccccc2)n1C
CN(CCOCC1CC1)C(=O)c1ccc(-c2ccccc2)n1C C1CC1CO[*:1] CN(CC[*:1])C(=O)c1ccc(-c2ccccc2)n1C
CN(CCOCC1CC1)C(=O)c1ccc(-c2ccccc2)n1C c1ccc(cc1)[*:1] CN(CCOCC1CC1)C(=O)c1ccc(n1C)[*:1]
CN(CCOCC1CC1)C(=O)c1ccc(-c2ccccc2)n1C C1CC1COC[*:1] CN(C[*:1])C(=O)c1ccc(-c2ccccc2)n1C
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(F)c1 CC(C)[*:1] O=C(c1cccc(F)c1)N(Cc1nnc(o1)-c1ccccc1Cl)[*:1]
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)N(Cc1nnc(o1)-c1ccccc1Cl)C(=O)[*:1]
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(F)c1 Clc1ccccc1[*:1] CC(C)N(Cc1nnc(o1)[*:1])C(=O)c1cccc(F)c1
CC(C)c1nnc(NC(=O)c2cc(F)ccc2O)s1 CC(C)[*:1] O=C(Nc1nnc(s1)[*:1])c1cc(F)ccc1O
CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)cs1 CNC(=O)[*:1] Cc1ccc(cc1C)NS(=O)(=O)c1csc(c1)[*:1]
CCN1C[C@H](C(=O)N(C)CCc2cccs2)CC1=O c1csc(c1)C[*:1] CCN1C[C@@H](CC1=O)C(=O)N(C)C[*:1]
CCN1C[C@H](C(=O)N(C)CCc2cccs2)CC1=O c1csc(c1)[*:1] CCN1C[C@@H](CC1=O)C(=O)N(C)CC[*:1]
C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(OC(F)F)c(F)c1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)Nc1ccc(OC(F)F)c(F)c1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)O[*:1] C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(c(F)c1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(OC(F)F)c(F)c1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)Nc1ccc(OC(F)F)c(F)c1
C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)[*:1] C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(O[*:1])c(F)c1
C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(OC(F)F)c(F)c1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)Nc1ccc(OC(F)F)c(F)c1
COc1ccc([C@H](NC(=O)c2cccc(-n3ccnc3)c2)C2CCOCC2)cc1 c1cn(cn1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1cccc(c1)[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)c2cccc(-n3ccnc3)c2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1cccc(c1)-n1ccnc1)[*:1]
COc1ccc([C@H](NC(=O)c2cccc(-n3ccnc3)c2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](C1CCOCC1)[*:1])c1cccc(c1)-n1ccnc1
CCCC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CC(C)C[*:1] CCCC(=O)N[C@H]1CCCC[C@@H]1OC[*:1]
CCCC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CCC[*:1] CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)[*:1]
CCCC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CC(C)[*:1] CCCC(=O)N[C@H]1CCCC[C@@H]1OCC[*:1]
CCCC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CC(C)CC[*:1] CCCC(=O)N[C@H]1CCCC[C@@H]1O[*:1]
CCCC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CCCC(=O)N[*:1] CC(C)CCO[C@H]1CCCC[C@@H]1[*:1]
CCCC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CC(C)CCO[*:1] CCCC(=O)N[C@H]1CCCC[C@H]1[*:1]
CCCNC(=O)c1ccccc1N/C=C1\C(=O)N(c2ccc(C)cc2C)C(=O)c2ccccc21 CCCNC(=O)[*:1] Cc1ccc(c(C)c1)N1C(=O)/C(=C\Nc2ccccc2[*:1])c2ccccc2C1=O
CCCNC(=O)c1ccccc1N/C=C1\C(=O)N(c2ccc(C)cc2C)C(=O)c2ccccc21 Cc1ccc(c(C)c1)[*:1] CCCNC(=O)c1ccccc1N/C=C1\C(=O)N(C(=O)c2ccccc21)[*:1]
CCCNC(=O)c1ccccc1N/C=C1\C(=O)N(c2ccc(C)cc2C)C(=O)c2ccccc21 CCC[*:1] Cc1ccc(c(C)c1)N1C(=O)/C(=C\Nc2ccccc2C(=O)N[*:1])c2ccccc2C1=O
COc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(C)o1 Cc1ccc(o1)[*:1] COc1ccccc1NC(=O)C(=O)NC[C@H](O)[*:1]
COC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)C1 Clc1cccc(c1)O[*:1] COC(=O)N1CCC[C@@H](C1)C(=O)N1CC[C@@H](C1)[*:1]
COC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)C1 Clc1cccc(c1)[*:1] COC(=O)N1CCC[C@@H](C1)C(=O)N1CC[C@H](C1)O[*:1]
CC[NH+](Cc1cc[nH]c1)Cc1cnn(C)c1 c1cc(c[nH]1)[*:1] CC[NH+](Cc1cnn(C)c1)C[*:1]
COc1ccccc1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 COc1ccccc1[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc(F)c(F)c1
COc1ccccc1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 Fc1ccc(cc1F)[*:1] COc1ccccc1CC(=O)Nc1nc(cs1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCOCC1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)C(=O)N1CCOCC1)[*:1]
O=C(c1ccon1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C(c1ccon1)N1C[C@H]2[C@@H](C1)OC(=O)N2C[*:1]
O=C(c1ccon1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(c1ccon1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCC[*:1]
O=C(c1ccon1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(c1ccon1)N1C[C@H]2[C@@H](C1)OC(=O)N2CC[*:1]
O=C(c1ccon1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCN1CCOCC1 c1cc(no1)[*:1] O=C1O[C@@H]2CN(C[C@@H]2N1CCCN1CCOCC1)C(=O)[*:1]
O=C1NC(=O)[C@@H](CCC(=O)N2CC=C(c3ccc(F)cc3)CC2)N1 Fc1ccc(cc1)[*:1] O=C1NC(=O)[C@@H](CCC(=O)N2CC=C(CC2)[*:1])N1
Cc1ccc(C(=O)C[C@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)C[C@H](c1ccco1)S(=O)(=O)[*:1]
Cc1ccc(C(=O)C[C@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C(=O)C[C@H](S(=O)(=O)c1ccccc1)[*:1]
Cc1ccc(C(=O)C[C@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@H](c1ccco1)S(=O)(=O)c1ccccc1)[*:1]
O=C(Nc1nnc(-c2cccc(F)c2)o1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 Fc1cccc(c1)[*:1] O=C(Nc1nnc(o1)[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
O=C(Nc1nnc(-c2cccc(F)c2)o1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1cccc(F)c1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ncc(CN2CCC[C@H]2c2noc(C3CC3)n2)s1 Cc1ncc(s1)[*:1] C1C[C@@H](c2noc(n2)C2CC2)N(C1)C[*:1]
Cc1ncc(CN2CCC[C@H]2c2noc(C3CC3)n2)s1 C1CC1[*:1] Cc1ncc(CN2CCC[C@H]2c2noc(n2)[*:1])s1
C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cc(=O)oc2cc(C)c(C)cc12 C=CC[*:1] Cc1cc2oc(=O)cc(COC(=O)[C@@]34CCC(=O)N3c3ccccc3C(=O)N4[*:1])c2cc1C
COC(=O)c1ccc(NC(=O)C2CCN(C(=O)O)CC2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)C(=O)O
CCOc1ccccc1-c1cccc(C(=O)Nc2cnccc2C)c1 CCO[*:1] Cc1ccncc1NC(=O)c1cccc(c1)-c1ccccc1[*:1]
CCOc1ccccc1-c1cccc(C(=O)Nc2cnccc2C)c1 Cc1ccncc1[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)N[*:1]
COc1cccc(/C(C)=C/C(=O)OCc2csc(-c3ccccn3)n2)c1 COc1cccc(c1)[*:1] CC(=CC(=O)OCc1csc(n1)-c1ccccn1)[*:1]
COc1cccc(/C(C)=C/C(=O)OCc2csc(-c3ccccn3)n2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)/C(C)=C/C(=O)OCc1csc(n1)[*:1]
Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)NS(=O)(=O)c1cc(ccc1Cl)[*:1]
CC(=O)N1N=C(c2cccc(O)c2)C[C@@H]1c1cccs1 c1csc(c1)[*:1] CC(=O)N1N=C(C[C@H]1[*:1])c1cccc(O)c1
FC(F)(F)c1cccc(OCCCCCS)c1 FC(F)(F)[*:1] SCCCCCOc1cccc(c1)[*:1]
FC(F)(F)c1cccc(OCCCCCS)c1 SCCCC[*:1] FC(F)(F)c1cccc(c1)OC[*:1]
FC(F)(F)c1cccc(OCCCCCS)c1 SCCC[*:1] FC(F)(F)c1cccc(c1)OCC[*:1]
FC(F)(F)c1cccc(OCCCCCS)c1 SCC[*:1] FC(F)(F)c1cccc(c1)OCCC[*:1]
O=C(CCCOc1cccnc1)Nc1cc(C(F)(F)F)ccc1O c1cncc(c1)OC[*:1] O=C(CC[*:1])Nc1cc(ccc1O)C(F)(F)F
O=C(CCCOc1cccnc1)Nc1cc(C(F)(F)F)ccc1O FC(F)(F)[*:1] O=C(CCCOc1cccnc1)Nc1cc(ccc1O)[*:1]
O=C(CCCOc1cccnc1)Nc1cc(C(F)(F)F)ccc1O c1cncc(c1)[*:1] O=C(CCCO[*:1])Nc1cc(ccc1O)C(F)(F)F
O=C(CCCOc1cccnc1)Nc1cc(C(F)(F)F)ccc1O c1cncc(c1)O[*:1] O=C(CCC[*:1])Nc1cc(ccc1O)C(F)(F)F
[NH3+][C@@H](C(=O)[O-])C(C(F)(F)F)C(F)(F)F O=C([O-])[*:1] [NH3+][C@@H](C(C(F)(F)F)C(F)(F)F)[*:1]
[NH3+][C@@H](C(=O)[O-])C(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] [NH3+][C@@H](C(=O)[O-])C(C(F)(F)F)[*:1]
CSCC[C@H](NC(N)=O)C(=O)Nc1cc(C(F)(F)F)ccc1C CSC[*:1] Cc1ccc(cc1NC(=O)[C@H](C[*:1])NC(N)=O)C(F)(F)F
CSCC[C@H](NC(N)=O)C(=O)Nc1cc(C(F)(F)F)ccc1C CSCC[*:1] Cc1ccc(cc1NC(=O)[C@@H](NC(N)=O)[*:1])C(F)(F)F
CSCC[C@H](NC(N)=O)C(=O)Nc1cc(C(F)(F)F)ccc1C NC(=O)N[*:1] CSCC[C@H](C(=O)Nc1cc(ccc1C)C(F)(F)F)[*:1]
CSCC[C@H](NC(N)=O)C(=O)Nc1cc(C(F)(F)F)ccc1C FC(F)(F)[*:1] CSCC[C@H](NC(N)=O)C(=O)Nc1cc(ccc1C)[*:1]
COCCN1C(N)=[NH+]C[C@H]1C[C@@H](C)c1ccccc1 COC[*:1] C[C@H](C[C@@H]1C[NH+]=C(N)N1C[*:1])c1ccccc1
COCCN1C(N)=[NH+]C[C@H]1C[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COCCN1C(N)=[NH+]C[C@H]1C[C@@H](C)[*:1]
COCCN1C(N)=[NH+]C[C@H]1C[C@@H](C)c1ccccc1 COCC[*:1] C[C@H](C[C@@H]1C[NH+]=C(N)N1[*:1])c1ccccc1
C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(Cl)c(F)c1 CS(=O)(=O)[*:1] C[C@H](C[*:1])C(=O)NNc1ccc(Cl)c(F)c1
C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(Cl)c(F)c1 CS(=O)(=O)C[*:1] C[C@H](C(=O)NNc1ccc(Cl)c(F)c1)[*:1]
CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 CCO[*:1] O=C(Cn1nc(ccc1=O)-c1ccc(cc1)[*:1])Nc1cc(ccc1Cl)C(F)(F)F
CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(CC(=O)Nc2cc(ccc2Cl)[*:1])n1
CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 CCOc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1cc(ccc1Cl)C(F)(F)F
CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N[C@H]1CCCC[C@H]1C Fc1ccc(cc1)[*:1] CC1C(=NS(=O)(=O)C=1[*:1])N[C@H]1CCCC[C@H]1C
O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC(=O)N(c2ccccc2F)C1 FC(F)(F)[*:1] O=C(NCCNc1ncc(cc1Cl)[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1F
O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC(=O)N(c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(NCCNc1ncc(cc1Cl)C(F)(F)F)[C@@H]1CC(=O)N(C1)[*:1]
Cc1nnc(-c2ccc(C(=O)NC[C@@H](C)Cc3cccs3)cc2)o1 c1csc(c1)C[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)NC[C@@H](C)[*:1]
Cc1nnc(-c2ccc(C(=O)NC[C@@H](C)Cc3cccs3)cc2)o1 c1csc(c1)[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)NC[C@@H](C)C[*:1]
Cc1nnc(-c2ccc(C(=O)NC[C@@H](C)Cc3cccs3)cc2)o1 Cc1nnc(o1)[*:1] C[C@H](CNC(=O)c1ccc(cc1)[*:1])Cc1cccs1
CC/C(=N\CCCO)C1C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O Clc1ccc(cc1)[*:1] CC/C(=N\CCCO)C1C(=O)N(C(=O)N=C1O)[*:1]
CC/C(=N\CCCO)C1C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O CCC(=NCCCO)[*:1] O=C1N=C(O)C(C(=O)N1c1ccc(Cl)cc1)[*:1]
CC/C(=N\CCCO)C1C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O OCCC[*:1] CCC(=N[*:1])C1C(=O)N(C(=O)N=C1O)c1ccc(Cl)cc1
CC/C(=N\CCCO)C1C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O OCC[*:1] CC/C(=N\C[*:1])C1C(=O)N(C(=O)N=C1O)c1ccc(Cl)cc1
Cn1cc(CN[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 Cn1cc(cn1)C[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)N[*:1])N1CCOCC1
Cn1cc(CN[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 C1CN(CCO1)[*:1] Cn1cc(cn1)CN[C@@H]1CC(C)(C)Cc2nc(ncc21)[*:1]
Cn1cc(CN[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 Cn1cc(cn1)CN[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)[*:1])N1CCOCC1
Cn1cc(CN[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 Cn1cc(cn1)[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)NC[*:1])N1CCOCC1
Cc1ccc(Cn2nc(C)c(C[NH2+]C(C)C)c2Cl)cc1 CC(C)[*:1] Cc1ccc(cc1)Cn1nc(C)c(C[NH2+][*:1])c1Cl
COc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)NC(=O)CSc1nnc(C[*:1])n1C
COc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)NC(=O)CSc1nnc(n1C)[*:1]
COc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1 COc1ccc(cc1)[*:1] Cn1c(CN2CCOCC2)nnc1SCC(=O)N[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)c1nc[nH]n1 CC(C)[*:1] C[C@H]1CC[C@@H]([C@@H](C1)NC(=O)c1nc[nH]n1)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)c1nc[nH]n1 c1nc(n[nH]1)[*:1] CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)[*:1]
CC(C)C[C@H](CNC(=O)NC[C@H]1CCC(=O)N1)C(=O)[O-] O=C1CC[C@@H](N1)[*:1] CC(C)C[C@H](CNC(=O)NC[*:1])C(=O)[O-]
CC(C)C[C@H](CNC(=O)NC[C@H]1CCC(=O)N1)C(=O)[O-] CC(C)C[*:1] O=C1CC[C@H](CNC(=O)NC[C@H](C(=O)[O-])[*:1])N1
CC(C)C[C@H](CNC(=O)NC[C@H]1CCC(=O)N1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)NC[C@H]1CCC(=O)N1)[*:1]
CC(C)C[C@H](CNC(=O)NC[C@H]1CCC(=O)N1)C(=O)[O-] CC(C)[*:1] O=C1CC[C@H](CNC(=O)NC[C@@H](C[*:1])C(=O)[O-])N1
[NH3+][C@@H](Cc1nccn1C(F)F)c1ccccc1 FC(F)[*:1] [NH3+][C@@H](Cc1nccn1[*:1])c1ccccc1
C[C@H](Cc1ccsc1)Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 CC(C)(C)[*:1] C[C@H](Cc1ccsc1)Nc1nc2c(cnn2[*:1])c(=O)[nH]1
C[C@H](Cc1ccsc1)Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 c1cc(cs1)C[*:1] C[C@H](Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)[*:1]
C[C@H](Cc1ccsc1)Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 c1cc(cs1)[*:1] C[C@H](C[*:1])Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
C[C@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2O1 FC(F)(F)c1cccc(c1)[*:1] C[C@H]1CN(C(=O)CCC(=O)N2CCN(CC2)[*:1])c2ccccc2O1
C[C@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2O1 FC(F)(F)[*:1] C[C@H]1CN(C(=O)CCC(=O)N2CCN(CC2)c2cccc(c2)[*:1])c2ccccc2O1
COc1ccc(F)cc1[C@H](C)NC(=O)N(C)C[C@@H](C)O C[C@@H](O)C[*:1] COc1ccc(F)cc1[C@H](C)NC(=O)N(C)[*:1]
COc1ccc(F)cc1[C@H](C)NC(=O)N(C)C[C@@H](C)O C[C@@H](O)[*:1] COc1ccc(F)cc1[C@H](C)NC(=O)N(C)C[*:1]
Cc1ccc([C@@H](C)[NH2+]CC2(C)COC2)cc1F CC1(COC1)[*:1] Cc1ccc(cc1F)[C@@H](C)[NH2+]C[*:1]
C=C1C=C([O-])N2C(=NC(N3CCc4ccccc43)=N[C@@H]2c2cccc(O)c2)N1 Oc1cccc(c1)[*:1] C=C1C=C([O-])N2C(=NC(=N[C@H]2[*:1])N2CCc3ccccc32)N1
COc1ccc(Cl)cc1NCC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NCC(=O)N1CCN(CC1)[*:1]
Cn1c(SCC(=O)NC2CCOCC2)nnc1-c1ccc(Cl)cc1 C1CC(CCO1)[*:1] Cn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)N[*:1]
Cn1c(SCC(=O)NC2CCOCC2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)NC1CCOCC1
C#CCNC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 C#CC[*:1] COc1ccc(cc1OC)CCN1C[C@H](CC1=O)C(=O)N[*:1]
C#CCNC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 C#CCNC(=O)[*:1] COc1ccc(cc1OC)CCN1C[C@H](CC1=O)[*:1]
NC1=CC(=O)N[C@H](SCc2nc3ccccc3[nH]2)N1c1ccccc1 c1ccc(cc1)[*:1] NC1=CC(=O)N[C@H](SCc2nc3ccccc3[nH]2)N1[*:1]
Cc1nnc(-c2ccc(C(=O)NNc3ccc(F)cc3)cc2)o1 Cc1nnc(o1)[*:1] O=C(NNc1ccc(F)cc1)c1ccc(cc1)[*:1]
Cc1nnc(-c2ccc(C(=O)NNc3ccc(F)cc3)cc2)o1 Fc1ccc(cc1)[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)NN[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(Br)cc1 CC(C)(C)[*:1] O=S(=O)(N[*:1])c1ccc(Br)cc1
COCc1ccc(CNC(=O)N[C@@H](C)CO)cc1 C[C@@H](CO)[*:1] COCc1ccc(cc1)CNC(=O)N[*:1]
COCc1ccc(CNC(=O)N[C@@H](C)CO)cc1 COC[*:1] C[C@@H](CO)NC(=O)NCc1ccc(cc1)[*:1]
Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(F)cc3)co2)n1 Fc1ccc(cc1)[*:1] Cc1csc(n1)SCc1cc(=O)c(co1)OC(=O)[*:1]
Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(F)cc3)co2)n1 Cc1csc(n1)[*:1] O=C(Oc1coc(cc1=O)CS[*:1])c1ccc(F)cc1
Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(F)cc3)co2)n1 Cc1csc(n1)SC[*:1] O=C(Oc1coc(cc1=O)[*:1])c1ccc(F)cc1
Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(F)cc3)co2)n1 Cc1csc(n1)S[*:1] O=C(Oc1coc(cc1=O)C[*:1])c1ccc(F)cc1
CCS[C@@H](/C([O-])=N/S(=O)(=O)C1CCCC1)C(C)C CCS[*:1] CC(C)[C@H](/C([O-])=N/S(=O)(=O)C1CCCC1)[*:1]
CCS[C@@H](/C([O-])=N/S(=O)(=O)C1CCCC1)C(C)C C1CCC(C1)[*:1] CCS[C@@H](/C([O-])=N/S(=O)(=O)[*:1])C(C)C
CCS[C@@H](/C([O-])=N/S(=O)(=O)C1CCCC1)C(C)C CC(C)[*:1] CCS[C@@H](/C([O-])=N/S(=O)(=O)C1CCCC1)[*:1]
Cc1cc(F)cc(C(=O)Nc2cc[nH]n2)c1 c1cc(n[nH]1)[*:1] Cc1cc(F)cc(c1)C(=O)N[*:1]
CCCN(C/C(N)=N/O)C[C@@H]1COc2ccccc21 N/C(C[*:1])=N\O CCCN(C[C@@H]1COc2ccccc21)[*:1]
CCCN(C/C(N)=N/O)C[C@@H]1COc2ccccc21 N/C(=N\O)[*:1] CCCN(C[C@@H]1COc2ccccc21)C[*:1]
CCCN(C/C(N)=N/O)C[C@@H]1COc2ccccc21 CCC[*:1] N/C(CN(C[C@@H]1COc2ccccc21)[*:1])=N\O
CC(C)OC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 CC(C)[*:1] O=C(O[*:1])/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1
CC(C)OC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 CC(C)OC(=O)[*:1] O=C(N/C(=C/c1ccc(F)cc1)[*:1])c1ccccc1
CC(C)OC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 Fc1ccc(cc1)[*:1] CC(C)OC(=O)C(=C[*:1])NC(=O)c1ccccc1
CC(C)OC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)OC(=O)/C(=C\c1ccc(F)cc1)NC(=O)[*:1]
O=C([O-])[C@@H]1CS[C@H](c2ncc(-c3ccccc3)s2)N1 O=C([O-])[*:1] c1ccc(cc1)-c1cnc(s1)[C@@H]1N[C@@H](CS1)[*:1]
O=C([O-])[C@@H]1CS[C@H](c2ncc(-c3ccccc3)s2)N1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1CS[C@@H](N1)c1ncc(s1)[*:1]
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCCNC(=O)c2ccco2)c1 c1coc(c1)[*:1] Cc1ccc(C)c(c1)C(=O)c1ccccc1C(=O)NCCNC(=O)[*:1]
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCCNC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 Cc1ccc(C)c(c1)C(=O)c1ccccc1C(=O)NCC[*:1]
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCCNC(=O)c2ccco2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCCNC(=O)c1ccccc1C(=O)[*:1])c1ccco1
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCCNC(=O)c2ccco2)c1 O=C(NC[*:1])c1ccco1 Cc1ccc(C)c(c1)C(=O)c1ccccc1C(=O)NC[*:1]
O=C(c1cnns1)N1CCC[C@@H]1c1cccc(Br)c1 c1nnsc1[*:1] O=C(N1CCC[C@@H]1c1cccc(Br)c1)[*:1]
Cn1c(N2CCN(C(=O)C3CCCC3)CC2)nc2sc3c(c2c1=O)CCCC3 C1CCC(C1)[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)N1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 CC(=O)N[*:1] O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(cc1)[*:1]
C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C CS(=O)(=O)[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])C(=O)N1c2ccccc2C[C@H]1C
O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 c1coc(c1)[*:1] O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(CC1)c1ccc(nn1)[*:1]
O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 Fc1ccc(cc1Cl)[*:1] O=S(=O)(N1CCN(CC1)c1ccc(nn1)-c1ccco1)[*:1]
Cc1ccc(CCC(=O)NCC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 Cc1ccc(cc1)[*:1] O=C(CC[*:1])NCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
Cc1ccc(CCC(=O)NCC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 Cc1ccc(cc1)C[*:1] O=C(C[*:1])NCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
CN(C[C@H]1N=NC2=C1CCCC2)C(=O)[C@@H]1CC(Cc2ccccc2)=NO1 c1ccc(cc1)[*:1] CN(C[C@H]1N=NC2CCCCC=21)C(=O)[C@@H]1CC(C[*:1])=NO1
CN(C[C@H]1N=NC2=C1CCCC2)C(=O)[C@@H]1CC(Cc2ccccc2)=NO1 c1ccc(cc1)C[*:1] CN(C[C@H]1N=NC2CCCCC=21)C(=O)[C@@H]1CC(=NO1)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)N1[C@@H](C)C[C@H]2CCCC[C@@H]21 Cc1noc(C)c1[*:1] C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[C@H](C)[*:1]
COc1ccc(/C(C)=N/NC(=O)C(C)(C)C)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)/C(C)=N/NC(=O)[*:1]
O=C(Cc1ccccc1F)N[C@H](c1ccccc1)c1ccccn1 Fc1ccccc1[*:1] O=C(C[*:1])N[C@H](c1ccccc1)c1ccccn1
O=C(Cc1ccccc1F)N[C@H](c1ccccc1)c1ccccn1 Fc1ccccc1C[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)[*:1]
O=C(Cc1ccccc1F)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(Cc1ccccc1F)N[C@H](c1ccccc1)[*:1]
O=C(Cc1ccccc1F)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1F)N[C@H](c1ccccn1)[*:1]
COCCOc1ncccc1C(=O)NCc1cc(C#N)ccc1F COCCO[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1cccnc1[*:1]
COCCOc1ncccc1C(=O)NCc1cc(C#N)ccc1F COC[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1cccnc1OC[*:1]
COCCOc1ncccc1C(=O)NCc1cc(C#N)ccc1F COCC[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1cccnc1O[*:1]
COc1ccc(OC(C)C)c(NC(=O)c2nc(C)c(C)[nH]c2=O)c1 CC(C)O[*:1] COc1ccc(c(c1)NC(=O)c1nc(C)c(C)[nH]c1=O)[*:1]
COc1ccc(OC(C)C)c(NC(=O)c2nc(C)c(C)[nH]c2=O)c1 CC(C)[*:1] COc1ccc(O[*:1])c(c1)NC(=O)c1nc(C)c(C)[nH]c1=O
C[C@H]1CCC[C@@H](N(C)C(=O)N[C@@H](C)[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)N[C@@H](C)[*:1]
CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCc2ccccc21 C1CO[C@@H](C1)C[*:1] CCN(C(=O)N[C@@H]1CCc2ccccc21)[*:1]
CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCc2ccccc21 C1CO[C@@H](C1)[*:1] CCN(C[*:1])C(=O)N[C@@H]1CCc2ccccc21
Cc1n[nH]c(C)c1CCOC(=O)Cn1cnc2c(cnn2C)c1=O Cc1n[nH]c(C)c1C[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)OC[*:1]
Cc1n[nH]c(C)c1CCOC(=O)Cn1cnc2c(cnn2C)c1=O Cc1n[nH]c(C)c1[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)OCC[*:1]
COc1cc(C)c(NC(=O)NCC[C@H](O)c2ccccc2)cc1OC O[C@H](c1ccccc1)[*:1] COc1cc(C)c(cc1OC)NC(=O)NCC[*:1]
COc1cc(C)c(NC(=O)NCC[C@H](O)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1cc(C)c(cc1OC)NC(=O)NCC[C@H](O)[*:1]
Cc1ccc(NC(=O)NCC[NH+](C)C2CCCC2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NCC[NH+](C)C1CCCC1
CCOC[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)C1 CCOC[*:1] CC(=O)N[C@@H](CC(=O)N1CC[C@H](C1)[*:1])c1ccc(F)cc1F
CCOC[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)C1 CC(=O)N[*:1] CCOC[C@@H]1CCN(C1)C(=O)C[C@H](c1ccc(F)cc1F)[*:1]
CCOC[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)C[C@H](NC(C)=O)[*:1]
CCOC[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)C1 CCO[*:1] CC(=O)N[C@@H](CC(=O)N1CC[C@H](C1)C[*:1])c1ccc(F)cc1F
C=CCNC(=O)NCc1ccc(OC)c(C)c1 C=CC[*:1] COc1ccc(cc1C)CNC(=O)N[*:1]
Cc1ccc(CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 Cc1ccc(cc1)C[*:1] Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)N(C)[*:1]
Cc1ccc(CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 Cc1ccc(cc1)[*:1] Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)N(C)C[*:1]
COc1cccc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)n1 CC(C)(C)[*:1] COc1cccc(n1)C(=O)N1CCC[C@H](CC1)[*:1]
COC(=O)c1ccc2c(c1)s/c(=N\C(=O)COc1ccccc1)n2C c1ccc(cc1)[*:1] COC(=O)c1ccc2c(c1)s/c(=N\C(=O)CO[*:1])n2C
COC(=O)c1ccc2c(c1)s/c(=N\C(=O)COc1ccccc1)n2C c1ccc(cc1)OC[*:1] COC(=O)c1ccc2c(c1)s/c(=N\C(=O)[*:1])n2C
COC(=O)c1ccc2c(c1)s/c(=N\C(=O)COc1ccccc1)n2C COC(=O)[*:1] Cn1/c(=N/C(=O)COc2ccccc2)sc2cc(ccc21)[*:1]
COC(=O)c1ccc2c(c1)s/c(=N\C(=O)COc1ccccc1)n2C c1ccc(cc1)O[*:1] COC(=O)c1ccc2c(c1)s/c(=N\C(=O)C[*:1])n2C
C[C@H]1CN(S(=O)(=O)NC[C@@H]2CCOC2)C[C@@H](C)O1 C1C[C@H](CO1)C[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)N[*:1]
C[C@H]1CN(S(=O)(=O)NC[C@@H]2CCOC2)C[C@@H](C)O1 C1C[C@H](CO1)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)NC[*:1]
C[C@H]1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C[C@@H](C)O1 Brc1cccc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)Cc1csc(n1)[*:1]
O=C(Nc1ccc(F)cc1F)C1=C(NC[C@@H]2CCCO2)c2ccccc2S1(=O)=O Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])C1=C(NC[C@@H]2CCCO2)c2ccccc2S1(=O)=O
COc1c(CN(CCc2ccccc2)[C@@H]2CCOC2)c(C)nn1C c1ccc(cc1)[*:1] COc1c(CN(CC[*:1])[C@@H]2CCOC2)c(C)nn1C
COc1c(CN(CCc2ccccc2)[C@@H]2CCOC2)c(C)nn1C c1ccc(cc1)CC[*:1] COc1c(CN([C@@H]2CCOC2)[*:1])c(C)nn1C
COc1c(CN(CCc2ccccc2)[C@@H]2CCOC2)c(C)nn1C c1ccc(cc1)C[*:1] COc1c(CN(C[*:1])[C@@H]2CCOC2)c(C)nn1C
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2cccc[nH+]2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)([N-]c1ccccc1/C=N/c1cccc[nH+]1)[*:1]
Cc1cccnc1CSc1nnc(C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cccnc1CSc1nnc(C)n1[*:1]
Cc1cccnc1CSc1nnc(C)n1Cc1ccccc1 Cc1cccnc1[*:1] Cc1nnc(SC[*:1])n1Cc1ccccc1
Cc1cccnc1CSc1nnc(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cccnc1CSc1nnc(C)n1C[*:1]
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)[*:1]
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCCC1 c1cc2OCCOc2cc1[*:1] CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])C(=O)NC1CCCCC1
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)C(=O)N[*:1]
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCCC1 CC(C)[*:1] O=C(N[C@H](C(=O)NC1CCCCC1)[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
Cc1c(C(=O)N2CCC(O)(C(F)(F)F)CC2)oc2ccc(Cl)cc12 FC(F)(F)[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)N1CCC(O)(CC1)[*:1]
Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)n1C O=C(N1CCCCC1)[*:1] Cc1c(c(c(C)n1C)[*:1])S(=O)(=O)NCc1ccc2OCOc2c1
Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)n1C c1cc2OCOc2cc1[*:1] Cc1c(C(=O)N2CCCCC2)c(c(C)n1C)S(=O)(=O)NC[*:1]
Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)n1C c1cc2OCOc2cc1C[*:1] Cc1c(C(=O)N2CCCCC2)c(c(C)n1C)S(=O)(=O)N[*:1]
Cc1occc1-c1nnc(SCC(=O)N(CCC#N)c2ccccc2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])SCC(=O)N(CCC#N)c1ccccc1
Cc1occc1-c1nnc(SCC(=O)N(CCC#N)c2ccccc2)n1C N#CCC[*:1] Cc1occc1-c1nnc(SCC(=O)N(c2ccccc2)[*:1])n1C
Cc1occc1-c1nnc(SCC(=O)N(CCC#N)c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1occc1-c1nnc(SCC(=O)N(CCC#N)[*:1])n1C
Cc1occc1-c1nnc(SCC(=O)N(CCC#N)c2ccccc2)n1C N#CC[*:1] Cc1occc1-c1nnc(SCC(=O)N(C[*:1])c2ccccc2)n1C
Cc1ccc([C@H]2COCCN2C(=O)[C@H]2C[C@@H]2c2cccnc2)o1 Cc1ccc(o1)[*:1] O=C([C@H]1C[C@@H]1c1cccnc1)N1CCOC[C@@H]1[*:1]
Cc1ccc([C@H]2COCCN2C(=O)[C@H]2C[C@@H]2c2cccnc2)o1 c1cncc(c1)[*:1] Cc1ccc(o1)[C@H]1COCCN1C(=O)[C@H]1C[C@H]1[*:1]
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OCC(=O)N(C)C)CC2)o1 CN(C)C(=O)CO[*:1] Cc1ccc(o1)C(=O)N1CC[NH+](CC1)Cc1ccccc1[*:1]
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OCC(=O)N(C)C)CC2)o1 Cc1ccc(o1)[*:1] CN(C)C(=O)COc1ccccc1C[NH+]1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OCC(=O)N(C)C)CC2)o1 CN(C)C(=O)C[*:1] Cc1ccc(o1)C(=O)N1CC[NH+](CC1)Cc1ccccc1O[*:1]
Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OCC(=O)N(C)C)CC2)o1 CN(C)C(=O)[*:1] Cc1ccc(o1)C(=O)N1CC[NH+](CC1)Cc1ccccc1OC[*:1]
CCNC(=O)C[C@@H](C[NH3+])N(C)CC CCN(C)[*:1] CCNC(=O)C[C@@H](C[NH3+])[*:1]
Cc1csc(=O)n1CCC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 Cc1csc(=O)n1[*:1] CC1(C)CC[C@@H](CNC(=O)CC[*:1])c2ccccc21
Cc1csc(=O)n1CCC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 Cc1csc(=O)n1C[*:1] CC1(C)CC[C@@H](CNC(=O)C[*:1])c2ccccc21
C[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1Cc1ccccc1Cl Clc1ccccc1[*:1] C[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C[*:1]
COc1ccc(OCCN(C)C(=O)Nn2cnc3ccccc32)cc1 COc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)Nn1cnc2ccccc21
CCCN(Cc1[nH+]ccn1C)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(S(C)(=O)=O)C2 CCC[*:1] Cn1cc[nH+]c1CN(C(=O)[C@@]12C[NH2+]C[C@@H]1CN(C2)S(C)(=O)=O)[*:1]
CCCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 O=[N+]([O-])[*:1] CCCC(=O)Nc1cc2OCCOc2cc1[*:1]
CCCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 CCC[*:1] O=C(Nc1cc2OCCOc2cc1[N+](=O)[O-])[*:1]
CCCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 CCCC(=O)N[*:1] O=[N+]([O-])c1cc2OCCOc2cc1[*:1]
COc1ccc([C@@](C)(O)CNc2cc(C(C)C)nc3ccnn23)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@](C)(O)CNc1cc(nc2ccnn12)[*:1]
COc1ccc([C@@](C)(O)CNc2cc(C(C)C)nc3ccnn23)cc1 COc1ccc(cc1)[*:1] CC(C)c1cc(NC[C@@](C)(O)[*:1])n2nccc2n1
O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] O=C(c1ccccc1Oc1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1O[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1
O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 c1ccc(cc1)O[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1
Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2 CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)C(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2)[*:1]
O=C1CCCc2cc(C(=O)Cn3cccc(C(F)(F)F)c3=O)ccc2N1 FC(F)(F)[*:1] O=C1CCCc2cc(ccc2N1)C(=O)Cn1cccc(c1=O)[*:1]
CCn1c(CC(=O)CC(C)(C)C)nc2ccccc21 CC(C)(C)C[*:1] CCn1c(CC(=O)[*:1])nc2ccccc21
CCn1c(CC(=O)CC(C)(C)C)nc2ccccc21 CC(C)(C)[*:1] CCn1c(CC(=O)C[*:1])nc2ccccc21
C[C@H](c1ncc(-c2cccc(Br)c2)cn1)N1CC[NH2+]CC1 Brc1cccc(c1)[*:1] C[C@H](c1ncc(cn1)[*:1])N1CC[NH2+]CC1
O=[N+]([O-])c1cc(CN2CCC[C@@H]2Cc2ccccc2Cl)cs1 O=[N+]([O-])[*:1] Clc1ccccc1C[C@H]1CCCN1Cc1csc(c1)[*:1]
O=[N+]([O-])c1cc(CN2CCC[C@@H]2Cc2ccccc2Cl)cs1 Clc1ccccc1[*:1] O=[N+]([O-])c1cc(cs1)CN1CCC[C@@H]1C[*:1]
O=C(Cc1ccccc1)Nc1ccccc1-c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1)Nc1ccccc1-c1nc(no1)[*:1]
O=C(Cc1ccccc1)Nc1ccccc1-c1nc(-c2ccccc2)no1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1-c1nc(no1)-c1ccccc1)[*:1]
O=C(Cc1ccccc1)Nc1ccccc1-c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccccc1-c1nc(no1)-c1ccccc1
C/C(=N\NC(=O)COc1ccccc1C)c1ccco1 c1coc(c1)[*:1] CC(=NNC(=O)COc1ccccc1C)[*:1]
COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(Br)cc2)CC3)cc1 COc1ccc(cc1)[*:1] O=S(=O)(c1ccc(Br)cc1)N1CCc2nc(sc2C1)[*:1]
COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(Br)cc2)CC3)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc2CCN(Cc2s1)S(=O)(=O)[*:1]
CCOCCN(C)C(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2 CCO[*:1] CN(CC[*:1])C(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2
CCOCCN(C)C(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2 CCOC[*:1] CN(C[*:1])C(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2
CCOCCN(C)C(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2 CCOCC[*:1] CN(C(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2)[*:1]
c1ccc(Cn2cccn2)c(CN2CCO[C@@]3(C[NH2+]CCOC3)C2)c1 c1cnn(c1)[*:1] c1ccc(C[*:1])c(c1)CN1CCO[C@@]2(C[NH2+]CCOC2)C1
c1ccc(Cn2cccn2)c(CN2CCO[C@@]3(C[NH2+]CCOC3)C2)c1 c1cnn(c1)C[*:1] c1ccc(c(c1)CN1CCO[C@@]2(C[NH2+]CCOC2)C1)[*:1]
Cc1c(OCC#N)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O N#CC[*:1] Cc1c(ccc2C(=O)/C(=C/c3c(Cl)cccc3Cl)Oc21)O[*:1]
Cc1c(OCC#N)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O Clc1cccc(Cl)c1[*:1] Cc1c(ccc2C(=O)C(=C[*:1])Oc21)OCC#N
Cc1c(OCC#N)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O N#CCO[*:1] Cc1c(ccc2C(=O)/C(=C/c3c(Cl)cccc3Cl)Oc21)[*:1]
Cc1cccc(C2=CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)c1 N#Cc1ccc(cc1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)C(=O)N[*:1]
Cc1cccc(C2=CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)c1 Cc1cccc(c1)[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)N1CC=C(CC1)[*:1]
NC(=S)[C@H]1CN(Cc2ccc(O)cc2)CCO1 NC(=S)[*:1] Oc1ccc(cc1)CN1CCO[C@H](C1)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccccc2OC(F)F)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1OC(F)F)[C@@H](O)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccccc2OC(F)F)cc1 FC(F)[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)c1ccccc1O[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccccc2OC(F)F)cc1 FC(F)O[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)c1ccccc1[*:1]
Cn1c(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc2occc21 Fc1ccc(cc1)C[*:1] Cn1c(cc2occc21)C(=O)N1CCN(CC1)[*:1]
Cn1c(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc2occc21 Fc1ccc(cc1)[*:1] Cn1c(cc2occc21)C(=O)N1CCN(CC1)C[*:1]
O=C(CCC1CCCC1)NC[C@]1(O)CCOc2ccccc21 C1CCC(C1)[*:1] O=C(CC[*:1])NC[C@]1(O)CCOc2ccccc21
O=C(CCC1CCCC1)NC[C@]1(O)CCOc2ccccc21 C1CCC(C1)C[*:1] O=C(C[*:1])NC[C@]1(O)CCOc2ccccc21
O=C(CCC1CCCC1)NC[C@]1(O)CCOc2ccccc21 C1CCC(C1)CC[*:1] O=C(NC[C@]1(O)CCOc2ccccc21)[*:1]
COc1cccc(CN(C(C)=O)c2c(-c3ccc(F)cc3)nc3ccccn23)c1OC Fc1ccc(cc1)[*:1] COc1cccc(CN(C(C)=O)c2c(nc3ccccn23)[*:1])c1OC
COc1cccc(CN(C(C)=O)c2c(-c3ccc(F)cc3)nc3ccccn23)c1OC COc1cccc(c1OC)[*:1] CC(=O)N(C[*:1])c1c(nc2ccccn12)-c1ccc(F)cc1
c1csc(CNc2nc3nonc3nc2N2CCC[NH+](Cc3cccs3)CC2)c1 c1csc(c1)C[*:1] c1csc(c1)C[NH+]1CCCN(CC1)c1nc2nonc2nc1N[*:1]
c1csc(CNc2nc3nonc3nc2N2CCC[NH+](Cc3cccs3)CC2)c1 c1csc(c1)[*:1] c1csc(c1)CNc1nc2nonc2nc1N1CCC[NH+](CC1)C[*:1]
c1csc(CNc2nc3nonc3nc2N2CCC[NH+](Cc3cccs3)CC2)c1 c1csc(c1)CN[*:1] c1csc(c1)C[NH+]1CCCN(CC1)c1nc2nonc2nc1[*:1]
c1csc(CNc2nc3nonc3nc2N2CCC[NH+](Cc3cccs3)CC2)c1 c1csc(c1)[*:1] c1csc(c1)C[NH+]1CCCN(CC1)c1nc2nonc2nc1NC[*:1]
c1csc(CNc2nc3nonc3nc2N2CCC[NH+](Cc3cccs3)CC2)c1 c1csc(c1)C[*:1] c1csc(c1)CNc1nc2nonc2nc1N1CCC[NH+](CC1)[*:1]
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](SC2CCOCC2)C1 O=C([O-])[*:1] C[NH2+][C@]1(CC[C@@H](C1)SC1CCOCC1)[*:1]
C=CCCO[C@H](C)C(=O)N1CCN(C)c2ccc(F)cc21 C=CC[*:1] C[C@@H](OC[*:1])C(=O)N1CCN(C)c2ccc(F)cc21
C=CCCO[C@H](C)C(=O)N1CCN(C)c2ccc(F)cc21 C=CCC[*:1] C[C@@H](O[*:1])C(=O)N1CCN(C)c2ccc(F)cc21
C=CCCO[C@H](C)C(=O)N1CCN(C)c2ccc(F)cc21 C=CCCO[*:1] C[C@H](C(=O)N1CCN(C)c2ccc(F)cc21)[*:1]
CCOC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 CCOC(=O)[*:1] O=C1C[C@@H](CN1c1cccc(F)c1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2)C1CC1 O=[N+]([O-])[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1cc(Cl)ccc1[*:1])C1CC1
O=C(Nc1nc2c(s1)CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2)C1CC1 O=C(N[*:1])C1CC1 O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2)C1CC1 C1CC1[*:1] O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2nc(NC(=O)[*:1])sc2C1
CC[C@@H](C)c1nc(Cl)nn1-c1ccc(OC)cc1 CC[C@@H](C)[*:1] COc1ccc(cc1)-n1nc(Cl)nc1[*:1]
O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)N1CCCC1 c1ccc(cc1)[*:1] O=C(CN1C(=O)C(=C[*:1])Sc2ccccc21)N1CCCC1
O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C1/C(=C/c2ccccc2)Sc2ccccc2N1[*:1]
O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)N1CCCC1 O=C(N1CCCC1)[*:1] O=C1/C(=C/c2ccccc2)Sc2ccccc2N1C[*:1]
C[C@H](CCc1ccccc1)NC(=O)NC[C@H]1COc2ccccc2O1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)NC[C@H]1COc2ccccc2O1
C[C@H](CCc1ccccc1)NC(=O)NC[C@H]1COc2ccccc2O1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)NC[C@H]1COc2ccccc2O1
C[C@H](CCc1ccccc1)NC(=O)NC[C@H]1COc2ccccc2O1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)NC[C@H]1COc2ccccc2O1)[*:1]
O=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1 O=S(=O)(C[*:1])c1ccccc1 O=C(C[*:1])N1CCN(CC1)c1nc2ccc(cc2s1)OC(F)(F)F
O=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1 FC(F)(F)[*:1] O=C(CCS(=O)(=O)c1ccccc1)N1CCN(CC1)c1nc2ccc(cc2s1)O[*:1]
O=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1 O=S(=O)(CC[*:1])c1ccccc1 O=C(N1CCN(CC1)c1nc2ccc(cc2s1)OC(F)(F)F)[*:1]
O=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1 c1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])N1CCN(CC1)c1nc2ccc(cc2s1)OC(F)(F)F
O=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1 FC(F)(F)O[*:1] O=C(CCS(=O)(=O)c1ccccc1)N1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
O=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1 O=S(=O)(c1ccccc1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1nc2ccc(cc2s1)OC(F)(F)F
O=C1N[C@@H](c2c(F)cccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 FC(F)(F)[*:1] O=C1N[C@@H](c2c(F)cccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(N1)[*:1]
O=C1N[C@@H](c2c(F)cccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 c1csc(c1)[*:1] O=C1N[C@@H](c2c(F)cccc2Cl)[C@@H](C(=O)[*:1])[C@@](O)(N1)C(F)(F)F
O=C1N[C@@H](c2c(F)cccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 Fc1cccc(Cl)c1[*:1] O=C1N[C@@H]([C@@H](C(=O)c2cccs2)[C@@](O)(N1)C(F)(F)F)[*:1]
O=C1N[C@@H](c2c(F)cccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 O=C(c1cccs1)[*:1] O=C1N[C@@H](c2c(F)cccc2Cl)[C@@H]([C@@](O)(N1)C(F)(F)F)[*:1]
COc1ccccc1-c1csc(NC(=O)c2ccc3nc(C)c(C)nc3c2)n1 COc1ccccc1[*:1] Cc1nc2ccc(cc2nc1C)C(=O)Nc1nc(cs1)[*:1]
Cc1ccc(C[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]2O)cc1 O=C([O-])[*:1] Cc1ccc(cc1)C[C@H]([C@@H]1CCCC[C@@H]1O)[*:1]
CSc1ncc(Cl)c(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)n1 c1ccc(cc1)[*:1] CSc1ncc(Cl)c(n1)C(=O)O[C@@H](C(=O)N1CCCC1)[*:1]
CSc1ncc(Cl)c(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)n1 O=C(N1CCCC1)[*:1] CSc1ncc(Cl)c(n1)C(=O)O[C@@H](c1ccccc1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C1 C1CN(CCO1)C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)[NH2+]CC1(CCCCC1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C1 C1CN(CCO1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)[NH2+]CC1(CCCCC1)C[*:1]
Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)NCc1cccnc1 c1cncc(c1)C[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[*:1])S[C@@H](C)c1ccccc1
Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)NCc1cccnc1 C[C@@H](c1ccccc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)NCc1cccnc1)S[*:1]
Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)NCc1cccnc1 c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)NCc1cccnc1)S[C@@H](C)[*:1]
Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)NCc1cccnc1 C[C@H](S[*:1])c1ccccc1 Cc1nc([nH]c(=O)c1CC(=O)NCc1cccnc1)[*:1]
Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)NCc1cccnc1 c1cncc(c1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)NC[*:1])S[C@@H](C)c1ccccc1
CC[C@H]1CN(CC(=O)NCc2ccccn2)c2ccccc2O1 c1ccc(nc1)[*:1] CC[C@H]1CN(CC(=O)NC[*:1])c2ccccc2O1
CC[C@H]1CN(CC(=O)NCc2ccccn2)c2ccccc2O1 c1ccc(C[*:1])nc1 CC[C@H]1CN(CC(=O)N[*:1])c2ccccc2O1
Cn1ccc(C(=O)N2CC[C@H](c3cc(CCO)[nH]n3)C2)n1 OCC[*:1] Cn1ccc(n1)C(=O)N1CC[C@@H](C1)c1cc([nH]n1)[*:1]
Cn1ccc(C(=O)N2CC[C@H](c3cc(CCO)[nH]n3)C2)n1 Cn1ccc(n1)[*:1] O=C(N1CC[C@@H](C1)c1cc(CCO)[nH]n1)[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 Fc1cccc(c1F)[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)[C@@H]1C[C@H]1[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[C@@H](O)[*:1]
Cc1cc(F)c([C@@](C)(CO)Nc2cccc(Br)c2)cc1F Brc1cccc(c1)[*:1] Cc1cc(F)c(cc1F)[C@@](C)(CO)N[*:1]
CC[NH2+][C@H](C)c1ccc(O[C@@H](C)C(N)=O)cc1 NC(=O)[*:1] CC[NH2+][C@H](C)c1ccc(cc1)O[C@@H](C)[*:1]
CC[NH2+][C@H](C)c1ccc(O[C@@H](C)C(N)=O)cc1 C[C@@H](C(N)=O)[*:1] CC[NH2+][C@H](C)c1ccc(cc1)O[*:1]
CN1C(=O)N(CCOc2ccc(S(=O)(=O)N(C)C)cc2)C(=O)C12CCCCC2 CN(C)S(=O)(=O)[*:1] CN1C(=O)N(CCOc2ccc(cc2)[*:1])C(=O)C12CCCCC2
CCC[NH+]1CCCN(CC2=Cc3ccccc3OC2)CC1 CCC[*:1] C1=C(COc2ccccc21)CN1CCC[NH+](CC1)[*:1]
CCc1nc(COc2ccc(F)cc2[C@@H](C)O)no1 C[C@@H](O)[*:1] CCc1nc(COc2ccc(F)cc2[*:1])no1
O=C(Nc1cc(F)ccc1SCC(F)F)NC1CCC(O)CC1 FC(F)[*:1] O=C(Nc1cc(F)ccc1SC[*:1])NC1CCC(O)CC1
O=C(Nc1cc(F)ccc1SCC(F)F)NC1CCC(O)CC1 FC(F)CS[*:1] O=C(Nc1cc(F)ccc1[*:1])NC1CCC(O)CC1
O=C(Nc1cc(F)ccc1SCC(F)F)NC1CCC(O)CC1 FC(F)C[*:1] O=C(Nc1cc(F)ccc1S[*:1])NC1CCC(O)CC1
O=C(Nc1cc(F)ccc1SCC(F)F)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] O=C(Nc1cc(F)ccc1SCC(F)F)N[*:1]
O=C(Cn1ccc2cc(Cl)ccc21)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1ccc2cc(Cl)ccc21)N[*:1]
Cc1ccccc1C(=O)NCCC(=O)N1CCSC2(CCCCC2)C1 Cc1ccccc1[*:1] O=C(CCNC(=O)[*:1])N1CCSC2(CCCCC2)C1
Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)ccc3C)CC2)c1 Cc1ccnc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1])-c1noc(n1)C1CC1
Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)ccc3C)CC2)c1 C1CC1c1nc(no1)[*:1] Cc1ccnc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)c1cc(ccc1C)[*:1]
Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)ccc3C)CC2)c1 Cc1ccnc(c1)NC(=O)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)[*:1])-c1noc(n1)C1CC1
Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)ccc3C)CC2)c1 C1CC1[*:1] Cc1ccnc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)c1cc(ccc1C)-c1noc(n1)[*:1]
COc1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1NC(=O)COc1ccccc1[*:1]
COc1ccc(CN(C)C(=O)NCCc2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)CN(C)C(=O)NCC[*:1]
COc1cc(OC)c(NC(=O)N(C)Cc2ccc(F)cc2)cc1Cl Fc1ccc(cc1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)N(C)C[*:1]
COc1cc(OC)c(NC(=O)N(C)Cc2ccc(F)cc2)cc1Cl Fc1ccc(cc1)C[*:1] COc1cc(OC)c(cc1Cl)NC(=O)N(C)[*:1]
CC1CCN(C(=O)N[C@]2(C(=O)[O-])CCSC2)CC1 O=C([O-])[*:1] CC1CCN(CC1)C(=O)N[C@@]1(CCSC1)[*:1]
COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@@H]1SCC(=O)Nc2c1c(C)nn2[*:1]
Cc1ccc(C)c(NC(=O)C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)c1 Cc1ccc(C)c(c1)[*:1] C[S@@](=O)C[C@@H](NC(=O)C(=O)N[*:1])c1ccccc1
Cc1ccc(C)c(NC(=O)C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)N[C@H](C[S@@](C)=O)[*:1]
Cc1nn2c(C)c(C(=O)N3CCN(c4ccccc4)CC3)nnc2c1-c1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1nn2c(C)c(nnc2c1-c1ccc(F)cc1)C(=O)N1CCN(CC1)[*:1]
Cc1nn2c(C)c(C(=O)N3CCN(c4ccccc4)CC3)nnc2c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn2c(C)c(nnc2c1[*:1])C(=O)N1CCN(CC1)c1ccccc1
CCN(CC)C(=O)Cn1c([C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nc2ccccc21 c1ccc(cc1)[*:1] CCN(CC)C(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[C@@H](C)[*:1]
CCN(CC)C(=O)Cn1c([C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nc2ccccc21 CCN(CC)C(=O)[*:1] C[C@@H](c1ccccc1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
CCN(CC)C(=O)Cn1c([C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nc2ccccc21 C[C@@H](c1ccccc1)[*:1] CCN(CC)C(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
CCN(CC)C(=O)Cn1c([C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)nc2ccccc21 CCN(CC)C(=O)C[*:1] C[C@@H](c1ccccc1)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
CCC[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccccc1 CCC[*:1] Cn1ccc(n1)N1CCC[C@H](N[C@@H](c2ccccc2)[*:1])C1=O
CCC[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](N[C@H]1CCCN(C1=O)c1ccn(C)n1)[*:1]
CCC[C@@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccccc1 Cn1ccc(n1)[*:1] CCC[C@@H](N[C@H]1CCCN(C1=O)[*:1])c1ccccc1
COC(=O)c1ccc(NC(=O)CSc2nc([O-])cc(=O)[nH]2)cc1 COC(=O)[*:1] O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1ccc(cc1)[*:1]
CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cc(F)cc(F)c3)n2)cc1 Fc1cc(F)cc(c1)[*:1] CCc1ccc(cc1)-c1ccc(=O)n(CCC(=O)NC[*:1])n1
CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cc(F)cc(F)c3)n2)cc1 Fc1cc(F)cc(c1)C[*:1] CCc1ccc(cc1)-c1ccc(=O)n(CCC(=O)N[*:1])n1
CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cc(F)cc(F)c3)n2)cc1 CCc1ccc(cc1)[*:1] O=C(CCn1nc(ccc1=O)[*:1])NCc1cc(F)cc(F)c1
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1Br)[N+](=O)[O-])[C@@H]1CC=CC[C@@H]1[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1Br)[*:1])[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1
CCOc1ccc(-c2ccc(O)c(F)c2)c(C)c1 CCO[*:1] Cc1cc(ccc1-c1ccc(O)c(F)c1)[*:1]
CCC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(Cl)cc1 CCC[*:1] Clc1ccc(cc1)[C@H]1CC[NH2+]C[C@H]1[*:1]
Cc1noc(CCNC(=O)C(=O)Nc2ccc(OC(C)C)c(Cl)c2)n1 Cc1noc(n1)[*:1] CC(C)Oc1ccc(cc1Cl)NC(=O)C(=O)NCC[*:1]
Cc1noc(CCNC(=O)C(=O)Nc2ccc(OC(C)C)c(Cl)c2)n1 Cc1noc(CC[*:1])n1 CC(C)Oc1ccc(cc1Cl)NC(=O)C(=O)N[*:1]
Cc1noc(CCNC(=O)C(=O)Nc2ccc(OC(C)C)c(Cl)c2)n1 Cc1noc(C[*:1])n1 CC(C)Oc1ccc(cc1Cl)NC(=O)C(=O)NC[*:1]
Cc1noc(CCNC(=O)C(=O)Nc2ccc(OC(C)C)c(Cl)c2)n1 CC(C)O[*:1] Cc1noc(CCNC(=O)C(=O)Nc2ccc(c(Cl)c2)[*:1])n1
Cc1noc(CCNC(=O)C(=O)Nc2ccc(OC(C)C)c(Cl)c2)n1 CC(C)[*:1] Cc1noc(CCNC(=O)C(=O)Nc2ccc(O[*:1])c(Cl)c2)n1
CCc1noc(CC)c1CNC(=O)COc1ccccc1Cl Clc1ccccc1[*:1] CCc1noc(CC)c1CNC(=O)CO[*:1]
Cc1cccc2nc(CSc3nncn3-c3cccc(Cl)c3)cn12 Clc1cccc(c1)[*:1] Cc1cccc2nc(cn12)CSc1nncn1[*:1]
COc1cc(CNC(=O)c2ccc(-c3ccco3)nc2C)ccc1O c1coc(c1)[*:1] COc1cc(ccc1O)CNC(=O)c1ccc(nc1C)[*:1]
Cc1ccc(CN2/C(=N/C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 Cc1ccc(cc1)C[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1])C1CC1
Cc1ccc(CN2/C(=N/C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 Cc1ccc(cc1)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1C[*:1])C1CC1
Cc1ccc(CN2/C(=N/C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 C1CC1[*:1] Cc1ccc(cc1)CN1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
COc1ccc(-c2cccc(-n3cncc3C(=O)NCc3c(F)cccc3F)c2)cc1OC Fc1cccc(F)c1[*:1] COc1ccc(cc1OC)-c1cccc(c1)-n1cncc1C(=O)NC[*:1]
COc1ccc(-c2cccc(-n3cncc3C(=O)NCc3c(F)cccc3F)c2)cc1OC COc1ccc(cc1OC)[*:1] O=C(NCc1c(F)cccc1F)c1cncn1-c1cccc(c1)[*:1]
COc1ccc(-c2cccc(-n3cncc3C(=O)NCc3c(F)cccc3F)c2)cc1OC Fc1cccc(F)c1C[*:1] COc1ccc(cc1OC)-c1cccc(c1)-n1cncc1C(=O)N[*:1]
CC(C)(C)[C@H](C#N)c1ccccc1 CC(C)(C)[*:1] N#C[C@H](c1ccccc1)[*:1]
COc1ccc([C@@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] COc1cc(cc(OC)c1OC)C1=NN(C(C)=O)[C@@H](O1)[*:1]
CC[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@@H]1[*:1])C(=O)NCc1[nH+]ccn1C
CC[NH2+][C@@H](c1ccsc1)[C@H]1CCCc2cccnc21 c1cc(cs1)[*:1] CC[NH2+][C@@H]([C@H]1CCCc2cccnc21)[*:1]
O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C(=O)c1ccco1 O=[N+]([O-])[*:1] O=C(NCCOc1ccc(cc1)[*:1])[C@H]1CCCN1C(=O)c1ccco1
O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C(=O)c1ccco1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NCCO[*:1])[C@H]1CCCN1C(=O)c1ccco1
O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C(=O)c1ccco1 c1coc(c1)[*:1] O=C(NCCOc1ccc(cc1)[N+](=O)[O-])[C@H]1CCCN1C(=O)[*:1]
CCOC(=O)c1c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c(C)n(C)c1C CCOC(=O)[*:1] Cc1ccc(cc1Cl)NC(=O)C1CCN(CC1)S(=O)(=O)c1c(c(C)n(C)c1C)[*:1]
CCOC(=O)c1c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c(C)n(C)c1C Cc1ccc(cc1Cl)[*:1] CCOC(=O)c1c(c(C)n(C)c1C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCOC(=O)c1c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c(C)n(C)c1C Cc1ccc(cc1Cl)NC(=O)[*:1] CCOC(=O)c1c(c(C)n(C)c1C)S(=O)(=O)N1CCC(CC1)[*:1]
CC[C@H](NC(=O)CNC(=O)C1CCCC1)c1cccc(Cl)c1 C1CCC(C1)[*:1] CC[C@H](NC(=O)CNC(=O)[*:1])c1cccc(Cl)c1
CC[C@H](NC(=O)CNC(=O)C1CCCC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H](NC(=O)CNC(=O)C1CCCC1)[*:1]
C=CCS(=O)(=O)N(C)C[C@@H](C)C(=O)OC C=CC[*:1] COC(=O)[C@H](C)CN(C)S(=O)(=O)[*:1]
C=CCS(=O)(=O)N(C)C[C@@H](C)C(=O)OC COC(=O)[*:1] C=CCS(=O)(=O)N(C)C[C@@H](C)[*:1]
Cc1cc(Br)c(NC(=O)Cn2cc(Br)cn2)c(Br)c1 Brc1cnn(c1)[*:1] Cc1cc(Br)c(NC(=O)C[*:1])c(Br)c1
CN(C(=O)C1(c2ccc(F)cc2F)CCOCC1)c1ccccc1 Fc1ccc(c(F)c1)[*:1] CN(C(=O)C1(CCOCC1)[*:1])c1ccccc1
CN(C(=O)C1(c2ccc(F)cc2F)CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)C1(CCOCC1)c1ccc(F)cc1F)[*:1]
O=C(Cc1cccc([N+](=O)[O-])c1)NCC1([O-])CCC1 O=[N+]([O-])[*:1] O=C(Cc1cccc(c1)[*:1])NCC1([O-])CCC1
C[C@H](CCCO)NC(=O)N[C@H](C)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] C[C@H](CCCO)NC(=O)N[C@H](C)c1nc(no1)[*:1]
C[C@H](CCCO)NC(=O)N[C@H](C)c1nc(C2CCCC2)no1 OCC[*:1] C[C@H](C[*:1])NC(=O)N[C@H](C)c1nc(no1)C1CCCC1
C[C@H](CCCO)NC(=O)N[C@H](C)c1nc(C2CCCC2)no1 OCCC[*:1] C[C@@H](NC(=O)N[C@@H](C)[*:1])c1nc(no1)C1CCCC1
C[C@H](CCCO)NC(=O)N[C@H](C)c1nc(C2CCCC2)no1 C[C@H](CCCO)[*:1] C[C@@H](NC(=O)N[*:1])c1nc(no1)C1CCCC1
C[C@@H](NC(=O)NCc1nc(-c2ccccc2)cs1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NCc1nc(cs1)[*:1])c1ccc2OCOc2c1
C[C@@H](NC(=O)NCc1nc(-c2ccccc2)cs1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@@H](NC(=O)NCc1nc(cs1)-c1ccccc1)[*:1]
CC[C@H]1CCCCN1C(=O)CSc1[nH]nc(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H]1CCCCN1C(=O)CSc1[nH]nc(C)c1[*:1]
COc1cccc([C@H]2[C@@H](C(=O)Nc3nncs3)CC(=O)N2C)c1 c1nnc(s1)[*:1] COc1cccc(c1)[C@H]1[C@H](CC(=O)N1C)C(=O)N[*:1]
C[C@@H](N[C@H](C)c1ccc2ccccc2n1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](N[C@H](C)c1ccc2ccccc2n1)C(=O)N[*:1]
Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)cc3N2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)[*:1])N1CCCC1
Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)cc3N2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@H]1C[C@@H](n2nc(cc2N1)C(=O)N1CCCC1)[*:1]
Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)cc3N2)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)[C@H]1C[C@H](n2nc(cc2N1)[*:1])C(F)(F)F
O=C(NCCCOC[C@@H]1CCCO1)[C@H]1CC=CCC1 C1CO[C@@H](C1)[*:1] O=C(NCCCOC[*:1])[C@H]1CC=CCC1
O=C(NCCCOC[C@@H]1CCCO1)[C@H]1CC=CCC1 C1CO[C@@H](C1)C[*:1] O=C(NCCCO[*:1])[C@H]1CC=CCC1
Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)O[C@@H](C)[C@H]1CCOC1 Clc1cccc(c1)[*:1] Cc1[nH]c(nc1C(=O)O[C@@H](C)[C@H]1CCOC1)[*:1]
CCCn1nc(C(=O)NCCN2C(=O)CSC2=O)ccc1=O O=C1CSC(=O)N1[*:1] CCCn1nc(ccc1=O)C(=O)NCC[*:1]
CCCn1nc(C(=O)NCCN2C(=O)CSC2=O)ccc1=O CCC[*:1] O=C(NCCN1C(=O)CSC1=O)c1ccc(=O)n(n1)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(cc1)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C(=O)N(C)C)cc1 CC(C)C[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)N[C@H](C[NH+](C)C)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C(=O)N(C)C)cc1 CC(C)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)N[C@H](C[NH+](C)C)C[*:1]
CC(C)[C@H]1C[C@H](NC=O)c2c(cccc2[N+](=O)[O-])N1 CC(C)[*:1] O=CN[C@H]1C[C@@H](Nc2cccc(c21)[N+](=O)[O-])[*:1]
CC(C)[C@H]1C[C@H](NC=O)c2c(cccc2[N+](=O)[O-])N1 O=[N+]([O-])[*:1] CC(C)[C@H]1C[C@H](NC=O)c2c(cccc2[*:1])N1
CC(C)[C@H]1C[C@H](NC=O)c2c(cccc2[N+](=O)[O-])N1 O=CN[*:1] CC(C)[C@H]1C[C@H](c2c(cccc2[N+](=O)[O-])N1)[*:1]
CCOc1ccc2c(c1)[C@H](NCc1nncn1C1CC1)CCO2 CCO[*:1] c1cc2OCC[C@@H](NCc3nncn3C3CC3)c2cc1[*:1]
CCOc1ccc2c(c1)[C@H](NCc1nncn1C1CC1)CCO2 C1CC1[*:1] CCOc1ccc2OCC[C@@H](NCc3nncn3[*:1])c2c1
C[C@@H](NC(=O)N[C@@H]1CCCC1(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] C[C@@H](NC(=O)N[C@@H]1CCCC1(C)C)c1ccc(cc1)[*:1]
Cc1n[nH]c([C@@H]2CN(C(=O)CCCc3nc(C)no3)CCO2)n1 Cc1n[nH]c(n1)[*:1] Cc1noc(CCCC(=O)N2CCO[C@@H](C2)[*:1])n1
Cc1n[nH]c([C@@H]2CN(C(=O)CCCc3nc(C)no3)CCO2)n1 Cc1noc(C[*:1])n1 Cc1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)CC[*:1]
Cc1n[nH]c([C@@H]2CN(C(=O)CCCc3nc(C)no3)CCO2)n1 Cc1noc(n1)[*:1] Cc1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)CCC[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(CC1)[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccccc2F)CC1 C1CC1[*:1] O=C(N[C@@H](c1ccccc1)[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(CC1)O[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(CC1)OC[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(OCc2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(N[C@@H](C1CC1)[*:1])N1CCC(CC1)OCc1ccccc1F
Cc1ccc(NC(=O)NC(=O)C[NH+](C)Cc2cnn(C)c2)cc1C Cn1cc(cn1)[*:1] Cc1ccc(cc1C)NC(=O)NC(=O)C[NH+](C)C[*:1]
Cc1ccc(NC(=O)NC(=O)C[NH+](C)Cc2cnn(C)c2)cc1C Cc1ccc(cc1C)[*:1] Cn1cc(cn1)C[NH+](C)CC(=O)NC(=O)N[*:1]
COC(=O)c1c(NC(=O)[C@H](C)[n+]2cc(Cl)n(C)c2)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)[C@H](C)[n+]2cc(Cl)n(C)c2)c(c1C)[*:1]
COc1ccc([C@H](C)NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)c1cc(-c2ccncc2)c2cnccc2n1)[*:1]
COc1ccc([C@H](C)NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)[C@H](C)NC(=O)c1cc(c2cnccc2n1)[*:1]
CC(=O)OC1=C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)CC(C)(C)C1 CC(=O)O[*:1] CC1(C)CC(=O)C2=C(C1)Oc1ccccc1[C@H]2C1C(=O)CC(C)(C)CC=1[*:1]
O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] O=C([O-])c1cccc(c1)S(=O)(=O)NC[*:1]
O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1 C1C[C@H](CO1)C[*:1] O=C([O-])c1cccc(c1)S(=O)(=O)N[*:1]
O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1 O=C([O-])[*:1] O=S(=O)(NC[C@@H]1CCOC1)c1cccc(c1)[*:1]
CC(C)Cc1ncc2c(n1)CN(C(=O)Cc1cccc3ccccc13)C2 CC(C)[*:1] O=C(Cc1cccc2ccccc12)N1Cc2cnc(C[*:1])nc2C1
CC(C)Cc1ncc2c(n1)CN(C(=O)Cc1cccc3ccccc13)C2 CC(C)C[*:1] O=C(Cc1cccc2ccccc12)N1Cc2cnc(nc2C1)[*:1]
CCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 CCCCNC(=O)[*:1] N#C[C@@H](C(=O)[C@H]1CCCN(C1)C(=O)Nc1ccccc1)[*:1]
CCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] CCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 CCC[*:1] N#C[C@H](C(=O)NC[*:1])C(=O)[C@H]1CCCN(C1)C(=O)Nc1ccccc1
CCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 CCCC[*:1] N#C[C@H](C(=O)N[*:1])C(=O)[C@H]1CCCN(C1)C(=O)Nc1ccccc1
Cc1csc(CCCNC(=O)N[C@@H]2CC=CCC2)n1 Cc1csc(n1)[*:1] O=C(NCCC[*:1])N[C@@H]1CC=CCC1
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(NC(C)=O)c1 CCS[*:1] CC(=O)Nc1cccc(c1)CNC(=O)N[C@H]1CCCC[C@H]1[*:1]
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(NC(C)=O)c1 CC(=O)N[*:1] CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(c1)[*:1]
C[C@H](NC(=O)C1(c2ccccc2)CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)C1(CC1)c1ccccc1)[*:1]
C[C@H](NC(=O)C1(c2ccccc2)CC1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C1(CC1)[*:1])c1cccc(Cl)c1
CNC(=O)Nc1cccc(NC(=O)CSc2ccncc2)c1 CNC(=O)N[*:1] O=C(CSc1ccncc1)Nc1cccc(c1)[*:1]
CNC(=O)Nc1cccc(NC(=O)CSc2ccncc2)c1 c1cc(ccn1)[*:1] CNC(=O)Nc1cccc(c1)NC(=O)CS[*:1]
CNC(=O)Nc1cccc(NC(=O)CSc2ccncc2)c1 c1cc(ccn1)S[*:1] CNC(=O)Nc1cccc(c1)NC(=O)C[*:1]
CC(C)C(=O)NC1CCN(c2nccc(C(F)(F)F)c2I)CC1 FC(F)(F)[*:1] CC(C)C(=O)NC1CCN(CC1)c1nccc(c1I)[*:1]
CC(C)C(=O)NC1CCN(c2nccc(C(F)(F)F)c2I)CC1 CC(C)C(=O)N[*:1] FC(F)(F)c1ccnc(c1I)N1CCC(CC1)[*:1]
CC(C)C(=O)NC1CCN(c2nccc(C(F)(F)F)c2I)CC1 CC(C)[*:1] O=C(NC1CCN(CC1)c1nccc(c1I)C(F)(F)F)[*:1]
Cc1cc(F)cc(N[C@H](C(=O)[O-])c2cc(Br)cs2)c1 Brc1csc(c1)[*:1] Cc1cc(F)cc(c1)N[C@H](C(=O)[O-])[*:1]
Cc1cc(F)cc(N[C@H](C(=O)[O-])c2cc(Br)cs2)c1 O=C([O-])[*:1] Cc1cc(F)cc(c1)N[C@H](c1cc(Br)cs1)[*:1]
COc1ccc(C[NH+]2CCN([C@H](C)C(=O)NC3CCCCC3)CC2)cc1F O=C(NC1CCCCC1)[*:1] COc1ccc(cc1F)C[NH+]1CCN(CC1)[C@H](C)[*:1]
COc1ccc(C[NH+]2CCN([C@H](C)C(=O)NC3CCCCC3)CC2)cc1F C1CCC(CC1)[*:1] COc1ccc(cc1F)C[NH+]1CCN(CC1)[C@H](C)C(=O)N[*:1]
COc1ccc(C[NH+]2CCN([C@H](C)C(=O)NC3CCCCC3)CC2)cc1F COc1ccc(cc1F)[*:1] C[C@H](C(=O)NC1CCCCC1)N1CC[NH+](CC1)C[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)C(F)(F)F O=C([O-])[*:1] C[C@H]1[C@H](CCN1S(=O)(=O)C(F)(F)F)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)C(F)(F)F FC(F)(F)[*:1] C[C@H]1[C@@H](CCN1S(=O)(=O)[*:1])C(=O)[O-]
C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)[O-])cn2)C1 O=C([O-])[*:1] C[C@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cn1)[*:1]
C[C@@H](NC(=O)C1CCC1)c1ccc(F)cc1 C1CC(C1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(F)cc1
Nn1c(COc2ccccc2)nc2ccccc2c1=O c1ccc(cc1)[*:1] Nn1c(CO[*:1])nc2ccccc2c1=O
N#CN(Cc1ncc(-c2cccc(Cl)c2)o1)c1ccccc1 Clc1cccc(c1)[*:1] N#CN(Cc1ncc(o1)[*:1])c1ccccc1
N#CN(Cc1ncc(-c2cccc(Cl)c2)o1)c1ccccc1 c1ccc(cc1)[*:1] N#CN(Cc1ncc(o1)-c1cccc(Cl)c1)[*:1]
O=C(NCCCn1cccn1)NCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(NCCCn1cccn1)NCC[*:1]
O=C(NCCCn1cccn1)NCCN1CCOCC1 c1cnn(c1)[*:1] O=C(NCCC[*:1])NCCN1CCOCC1
O=C(NCCCn1cccn1)NCCN1CCOCC1 c1cnn(c1)C[*:1] O=C(NCCN1CCOCC1)NCC[*:1]
CC(C)CS(=O)(=O)CC(=O)NC1CCC([NH+]2CCCCC2)CC1 CC(C)C[*:1] O=C(CS(=O)(=O)[*:1])NC1CCC(CC1)[NH+]1CCCCC1
CC(C)CS(=O)(=O)CC(=O)NC1CCC([NH+]2CCCCC2)CC1 CC(C)[*:1] O=C(CS(=O)(=O)C[*:1])NC1CCC(CC1)[NH+]1CCCCC1
CC(C)CS(=O)(=O)CC(=O)NC1CCC([NH+]2CCCCC2)CC1 CC(C)CS(=O)(=O)[*:1] O=C(C[*:1])NC1CCC(CC1)[NH+]1CCCCC1
N#Cc1c(/N=C\c2cc([N+](=O)[O-])ccc2[O-])sc2c1CCCC2 O=[N+]([O-])[*:1] N#Cc1c(/N=C\c2cc(ccc2[O-])[*:1])sc2CCCCc21
CCCC(=O)Nc1ccc(CNc2cccc(F)n2)cc1 CCCC(=O)N[*:1] Fc1cccc(n1)NCc1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(CNc2cccc(F)n2)cc1 Fc1cccc(n1)[*:1] CCCC(=O)Nc1ccc(cc1)CN[*:1]
CCCC(=O)Nc1ccc(CNc2cccc(F)n2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)CNc1cccc(F)n1)[*:1]
Cc1cccc(N2CCC(NC(=O)c3ccc(O)c(Cl)c3)CC2)[nH+]1 Oc1ccc(cc1Cl)[*:1] Cc1cccc([nH+]1)N1CCC(CC1)NC(=O)[*:1]
COCc1cccc(C[NH2+][C@H](C)[C@H](C)C(=O)[O-])c1 O=C([O-])[*:1] COCc1cccc(c1)C[NH2+][C@H](C)[C@H](C)[*:1]
COCc1cccc(C[NH2+][C@H](C)[C@H](C)C(=O)[O-])c1 COC[*:1] C[C@H](C(=O)[O-])[C@@H](C)[NH2+]Cc1cccc(c1)[*:1]
O=C(Nc1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(Cl)cn1)c1ccccc1[*:1]
Cc1ccccc1C[C@@H](C)NC(=O)CSc1nncn1-c1ccccc1 Cc1ccccc1[*:1] C[C@H](C[*:1])NC(=O)CSc1nncn1-c1ccccc1
Cc1ccccc1C[C@@H](C)NC(=O)CSc1nncn1-c1ccccc1 Cc1ccccc1C[*:1] C[C@@H](NC(=O)CSc1nncn1-c1ccccc1)[*:1]
Cc1ccccc1C[C@@H](C)NC(=O)CSc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1C[C@@H](C)NC(=O)CSc1nncn1[*:1]
CCOc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2F)c1 CCO[*:1] O=C(NCc1cccc(c1)[*:1])C(=O)Nc1ccc(F)cc1F
CCOc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] CCOc1cccc(c1)CNC(=O)C(=O)N[*:1]
C[C@H](NC[C@H](O)COc1ccccc1Br)c1nccs1 c1csc(n1)[*:1] C[C@H](NC[C@H](O)COc1ccccc1Br)[*:1]
O=C(CC1CCOCC1)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(CC1CCOCC1)NC[C@@H]1CCCN(C1)[*:1]
O=C(CC1CCOCC1)NC[C@@H]1CCCN(c2ncccn2)C1 C1CC(CCO1)C[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
O=C(CC1CCOCC1)NC[C@@H]1CCCN(c2ncccn2)C1 C1CC(CCO1)[*:1] O=C(C[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
CC(C)N1CCC(=NNC(=O)c2ccncc2)CC1 CC(C)[*:1] O=C(NN=C1CCN(CC1)[*:1])c1ccncc1
CC(C)N1CCC(=NNC(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] CC(C)N1CCC(CC1)=NNC(=O)[*:1]
CC(C)(C)Oc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccn1 CC(C)(C)O[*:1] N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(c1)[*:1]
CC(C)(C)Oc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccn1 CC(C)(C)[*:1] N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccn1 c1ccc(cc1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N1CCC[C@H]1[C@H](C#N)[*:1]
CC(C)(C)Oc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccn1 N#C[C@H](c1ccccc1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N1CCC[C@@H]1[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CO)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 C[C@@H]1CCCC[C@H]1[*:1] O=C(N[C@@H](CO)c1ccc(Cl)cc1)N[*:1]
Cc1ccc2ncc(-c3nc(-c4cnn(C)c4)no3)n2c1 Cn1cc(cn1)[*:1] Cc1ccc2ncc(-c3nc(no3)[*:1])n2c1
Cc1cccnc1C[C@@H](NCc1ncccc1F)C(F)(F)F Fc1cccnc1[*:1] Cc1cccnc1C[C@@H](NC[*:1])C(F)(F)F
Cc1cccnc1C[C@@H](NCc1ncccc1F)C(F)(F)F FC(F)(F)[*:1] Cc1cccnc1C[C@@H](NCc1ncccc1F)[*:1]
Cc1cccnc1C[C@@H](NCc1ncccc1F)C(F)(F)F Cc1cccnc1[*:1] Fc1cccnc1CN[C@H](C[*:1])C(F)(F)F
Cc1onc(-c2ccccc2)c1C(=O)NCCCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1onc(-c2ccccc2)c1C(=O)NCCC[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NCCCCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1onc(-c2ccccc2)c1C(=O)NCC[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NCCCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1onc(-c2ccccc2)c1C(=O)NCCCC[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NCCCCN1CCOCC1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)NCCCCN1CCOCC1)[*:1]
C[C@H](C#N)[C@@]1(O)CCCC1(C)C C[C@H](C#N)[*:1] CC1(C)CCC[C@@]1(O)[*:1]
CCCOc1ccc(NC(=S)Nc2ccccc2)cc1 CCCO[*:1] S=C(Nc1ccccc1)Nc1ccc(cc1)[*:1]
CCCOc1ccc(NC(=S)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] CCCOc1ccc(cc1)NC(=S)N[*:1]
CCCOc1ccc(NC(=S)Nc2ccccc2)cc1 CCC[*:1] S=C(Nc1ccccc1)Nc1ccc(cc1)O[*:1]
Nc1c(NCCN2CCOCC2)ncnc1-n1nnc2ccccc21 C1CN(CCO1)CC[*:1] Nc1c(ncnc1-n1nnc2ccccc21)N[*:1]
Nc1c(NCCN2CCOCC2)ncnc1-n1nnc2ccccc21 C1CN(CCO1)C[*:1] Nc1c(ncnc1-n1nnc2ccccc21)NC[*:1]
Nc1c(NCCN2CCOCC2)ncnc1-n1nnc2ccccc21 C1CN(CCO1)[*:1] Nc1c(ncnc1-n1nnc2ccccc21)NCC[*:1]
CC(=O)NCCc1ccc([C@@H](C)NC[C@@H]2CN3CCCC[C@@H]3CO2)cc1 CC(=O)NC[*:1] C[C@@H](NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc([C@@H](C)NC[C@@H]2CN3CCCC[C@@H]3CO2)cc1 CC(=O)NCC[*:1] C[C@@H](NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc([C@@H](C)NC[C@@H]2CN3CCCC[C@@H]3CO2)cc1 CC(=O)N[*:1] C[C@@H](NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(cc1)CC[*:1]
C[C@H](c1cccs1)N(C)C(=O)CSc1ccc2c(c1)OCCCO2 c1csc(c1)[*:1] C[C@H](N(C)C(=O)CSc1ccc2OCCCOc2c1)[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](O)c1cccs1 c1csc(c1)[*:1] COc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](O)[*:1]
CCOC[C@H]1CCCCC[C@H]1O CCOC[*:1] O[C@@H]1CCCCC[C@@H]1[*:1]
CCOC[C@H]1CCCCC[C@H]1O CCO[*:1] O[C@@H]1CCCCC[C@@H]1C[*:1]
C#CC[C@@H](C)OC(=O)c1cnc(C2CC2)s1 C#CC[C@@H](C)[*:1] O=C(O[*:1])c1cnc(s1)C1CC1
C#CC[C@@H](C)OC(=O)c1cnc(C2CC2)s1 C#CC[*:1] C[C@@H](OC(=O)c1cnc(s1)C1CC1)[*:1]
C#CC[C@@H](C)OC(=O)c1cnc(C2CC2)s1 C1CC1[*:1] C#CC[C@@H](C)OC(=O)c1cnc(s1)[*:1]
Cc1cc(C)cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NC1CC1)[C@@H](OC(=O)[*:1])c1ccccc1
Cc1cc(C)cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C(=O)O[C@H](C(=O)NC1CC1)[*:1]
Cc1cc(C)cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c1 O=C(NC1CC1)[*:1] Cc1cc(C)cc(c1)C(=O)O[C@H](c1ccccc1)[*:1]
Cc1cc(C)cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c1 C1CC1[*:1] Cc1cc(C)cc(c1)C(=O)O[C@H](C(=O)N[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1 Cc1ccc(cc1)[*:1] Cc1oc2ccc(cc2c1C(=O)OC(C)C)NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(C)c(C(=O)O[*:1])c2c1
Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1 CC(C)OC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(C)c(c2c1)[*:1]
C[C@H]1CCCN(C(=O)NCc2ccnc(OC3CCC3)c2)[C@@H]1C C1CC(C1)[*:1] C[C@H]1CCCN(C(=O)NCc2ccnc(c2)O[*:1])[C@@H]1C
C[C@H]1CCCN(C(=O)NCc2ccnc(OC3CCC3)c2)[C@@H]1C C1CC(C1)O[*:1] C[C@H]1CCCN(C(=O)NCc2ccnc(c2)[*:1])[C@@H]1C
Cc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1SCC(=O)Nc2c1c(C)nn2[*:1]
Cc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(-c2ccc(Cl)cc2)c2NC(=O)CS[C@H](c12)[*:1]
C[C@H]1CC[C@H](C)N(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 Clc1ccc(cc1)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)Cc1coc(n1)[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccsc1 c1cc(cs1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])Nc1ccnn1C[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccsc1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1ccnn1Cc1ccsc1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccsc1 c1cc(cs1)C[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])Nc1ccnn1[*:1]
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N(C)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] Cc1nc(sc1C(=O)N(C)[C@H](C)[*:1])C(C)(C)c1ccccc1
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N(C)[C@H](C)c1ccccn1 CC(C)(c1ccccc1)[*:1] Cc1nc(sc1C(=O)N(C)[C@H](C)c1ccccn1)[*:1]
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N(C)[C@H](C)c1ccccn1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N(C)[C@H](C)c1ccccn1)C(C)(C)[*:1]
O=C(Oc1cccc(NC(=O)c2cccs2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 c1csc(c1)[*:1] O=C(Oc1cccc(c1)NC(=O)[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
O=C(Oc1cccc(NC(=O)c2cccs2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 O=C(N[*:1])c1cccs1 O=C(Oc1cccc(c1)[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
O=C(Oc1cccc(NC(=O)c2cccs2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(Oc1cccc(c1)NC(=O)c1cccs1)c1cccc(c1)[*:1]
C[C@@H]1CN(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)C[C@@H]1C O=C([O-])[*:1] C[C@@H]1CN(C[C@@H]1C)C(=O)Nc1ccc(O)c(c1)[*:1]
CC(=O)Nc1ccc(C[NH+]2CCC(C3CCOCC3)CC2)cc1 C1CC(CCO1)[*:1] CC(=O)Nc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CC(=O)Nc1ccc(C[NH+]2CCC(C3CCOCC3)CC2)cc1 CC(=O)N[*:1] c1cc(ccc1C[NH+]1CCC(CC1)C1CCOCC1)[*:1]
O=C(Nc1ccccc1COc1ccccc1)c1cc([O-])n2nnnc2n1 c1ccc(cc1)O[*:1] O=C(Nc1ccccc1C[*:1])c1cc([O-])n2nnnc2n1
O=C(Nc1ccccc1COc1ccccc1)c1cc([O-])n2nnnc2n1 c1ccc(cc1)OC[*:1] O=C(Nc1ccccc1[*:1])c1cc([O-])n2nnnc2n1
O=C(Nc1ccccc1COc1ccccc1)c1cc([O-])n2nnnc2n1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1CO[*:1])c1cc([O-])n2nnnc2n1
Cc1ccccc1NC(=O)C[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 Cc1ccccc1[*:1] C[C@H]1CC(C)(C)C[C@](CO)(C1)[NH2+]CC(=O)N[*:1]
CC(C)Oc1cccc(/C=C/C(=O)N2CCN(c3ncccc3F)CC2)c1 CC(C)[*:1] O=C(/C=C/c1cccc(c1)O[*:1])N1CCN(CC1)c1ncccc1F
CC(C)Oc1cccc(/C=C/C(=O)N2CCN(c3ncccc3F)CC2)c1 CC(C)O[*:1] O=C(/C=C/c1cccc(c1)[*:1])N1CCN(CC1)c1ncccc1F
CC(C)Oc1cccc(/C=C/C(=O)N2CCN(c3ncccc3F)CC2)c1 Fc1cccnc1[*:1] CC(C)Oc1cccc(/C=C/C(=O)N2CCN(CC2)[*:1])c1
Cc1cc(CCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)on1 Cc1cc(CC[*:1])on1 O=C(N[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
Cc1cc(CCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)on1 Cc1cc(on1)[*:1] O=C(NCC[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
Cc1cc(CCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)on1 Cc1cc(C[*:1])on1 O=C(NC[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
Cc1ccc([S@@](=O)CC(=O)Nc2ccc(OC(F)F)cc2)nc1 FC(F)[*:1] Cc1ccc(nc1)[S@@](=O)CC(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc([S@@](=O)CC(=O)Nc2ccc(OC(F)F)cc2)nc1 Cc1ccc(nc1)[*:1] O=C(C[S@](=O)[*:1])Nc1ccc(cc1)OC(F)F
Cc1ccc([S@@](=O)CC(=O)Nc2ccc(OC(F)F)cc2)nc1 FC(F)O[*:1] Cc1ccc(nc1)[S@@](=O)CC(=O)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)Nc1ccc(CNC(=O)NCc2ccccn2)cc1 c1ccc(C[*:1])nc1 CC(C)NC(=O)Nc1ccc(cc1)CNC(=O)N[*:1]
CC(C)NC(=O)Nc1ccc(CNC(=O)NCc2ccccn2)cc1 c1ccc(nc1)[*:1] CC(C)NC(=O)Nc1ccc(cc1)CNC(=O)NC[*:1]
CC(C)NC(=O)Nc1ccc(CNC(=O)NCc2ccccn2)cc1 CC(C)NC(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])NCc1ccccn1
CC(C)NC(=O)Nc1ccc(CNC(=O)NCc2ccccn2)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)NC(=O)N[*:1])NCc1ccccn1
Cc1csc(C2CCN(C(=O)c3cnn(C(C)C)c3C)CC2)n1 Cc1csc(n1)[*:1] Cc1c(cnn1C(C)C)C(=O)N1CCC(CC1)[*:1]
Cc1csc(C2CCN(C(=O)c3cnn(C(C)C)c3C)CC2)n1 CC(C)[*:1] Cc1csc(n1)C1CCN(CC1)C(=O)c1cnn(c1C)[*:1]
O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(cc1)-c1nnc2CCCCCn21)c1ccccc1[*:1]
CC[C@@H]1CCCCN1c1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-] Fc1ccc(cc1)C[*:1] CC[C@@H]1CCCCN1c1ncnc(N[*:1])c1[N+](=O)[O-]
CC[C@@H]1CCCCN1c1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-] Fc1ccc(cc1)[*:1] CC[C@@H]1CCCCN1c1ncnc(NC[*:1])c1[N+](=O)[O-]
CC[C@@H]1CCCCN1c1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H]1CCCCN1c1ncnc(NCc2ccc(F)cc2)c1[*:1]
CC(C)N(CC(N)=O)C(=O)C(C)(C)c1cccc(Cl)c1 NC(=O)[*:1] CC(C)N(C[*:1])C(=O)C(C)(C)c1cccc(Cl)c1
CC(C)N(CC(N)=O)C(=O)C(C)(C)c1cccc(Cl)c1 CC(C)[*:1] CC(C)(C(=O)N(CC(N)=O)[*:1])c1cccc(Cl)c1
CC(C)N(CC(N)=O)C(=O)C(C)(C)c1cccc(Cl)c1 NC(=O)C[*:1] CC(C)N(C(=O)C(C)(C)c1cccc(Cl)c1)[*:1]
O=C(c1cccc(-c2nc3ccccc3o2)c1)N1CCCC1 O=C(N1CCCC1)[*:1] c1cc(cc(c1)[*:1])-c1nc2ccccc2o1
NC(=O)c1cc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1Cl NC(=O)[*:1] O=C([O-])c1cc(cc(c1)[N+](=O)[O-])-c1ccc(Cl)c(c1)[*:1]
NC(=O)c1cc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1Cl O=[N+]([O-])[*:1] NC(=O)c1cc(ccc1Cl)-c1cc(cc(c1)[*:1])C(=O)[O-]
NC(=O)c1cc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1Cl O=C([O-])[*:1] NC(=O)c1cc(ccc1Cl)-c1cc(cc(c1)[*:1])[N+](=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCSc1ccccc1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)CCCSc1ccccc1)[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCSc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1[C@H](CCN1C(=O)CCCS[*:1])C(=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCSc1ccccc1 c1ccc(cc1)S[*:1] C[C@@H]1[C@H](CCN1C(=O)CCC[*:1])C(=O)[O-]
CO[C@H]1CCCC[C@H]1NC(=O)Nc1ccncc1 c1cc(ccn1)[*:1] CO[C@H]1CCCC[C@H]1NC(=O)N[*:1]
CC[C@H](NC(=O)CCc1c[nH]c2ccc(C)cc12)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)CCc1c[nH]c2ccc(C)cc12)[*:1]
C[C@H](NC(=O)NCCC(N)=O)c1ccc(Cl)s1 NC(=O)[*:1] C[C@H](NC(=O)NCC[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NCCC(N)=O)c1ccc(Cl)s1 NC(=O)CC[*:1] C[C@H](NC(=O)N[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NCCC(N)=O)c1ccc(Cl)s1 NC(=O)C[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(Cl)s1
C[NH+](C)C1CCN(C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)CC1 Brc1cccc(c1)[*:1] C[NH+](C)C1CCN(CC1)C(=O)c1cccc(c1)NC(=O)[*:1]
Cc1ccc2ncc(/C=C/c3cc(C(=O)[O-])ncn3)n2c1 O=C([O-])[*:1] Cc1ccc2ncc(/C=C/c3cc(ncn3)[*:1])n2c1
CCOc1cccc(C(=O)[O-])c1OCc1ccc(Br)cc1 O=C([O-])[*:1] CCOc1cccc(c1OCc1ccc(Br)cc1)[*:1]
CCOc1cccc(C(=O)[O-])c1OCc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCOc1cccc(C(=O)[O-])c1OC[*:1]
CCOc1cccc(C(=O)[O-])c1OCc1ccc(Br)cc1 CCO[*:1] O=C([O-])c1cccc(c1OCc1ccc(Br)cc1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C[C@H]1[*:1])C1CC1
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C[C@@H]1C[*:1])C1CC1
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 C1CC1[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C[C@@H]1Cc1ccccc1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 Clc1ccc(cc1)O[*:1] CC(C)(C(=O)N1CCN(C[C@@H]1Cc1ccccc1)C1CC1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)N1CCN(C[C@@H]1Cc1ccccc1)C1CC1
O=C1C[C@@H](C(=O)Nc2ccccc2F)c2ccccc2N1 Fc1ccccc1[*:1] O=C1C[C@@H](C(=O)N[*:1])c2ccccc2N1
CCc1n[nH]c([C@@H]2CN(Cc3cn4c(C)cc(C)nc4n3)CCO2)n1 CCc1n[nH]c(n1)[*:1] Cc1cc(C)n2cc(CN3CCO[C@@H](C3)[*:1])nc2n1
C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)CCN1C(=O)NC(C)(C)C1=O Fc1ccc(cc1F)[*:1] C[C@H](S(=O)(=O)CCN1C(=O)NC(C)(C)C1=O)[*:1]
COc1ccc(C(=O)/N=C(/Nc2cccc(OC)c2)N2CC[NH+](C(C)C)CC2)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)/N=C(/Nc1cccc(c1)OC)N1CC[NH+](CC1)[*:1]
COc1ccc(C(=O)/N=C(/Nc2cccc(OC)c2)N2CC[NH+](C(C)C)CC2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)N/C(=N/C(=O)[*:1])N1CC[NH+](CC1)C(C)C
COc1ccc(C(=O)/N=C(/Nc2cccc(OC)c2)N2CC[NH+](C(C)C)CC2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)/N=C(/N[*:1])N1CC[NH+](CC1)C(C)C
O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cccc(c1)[*:1]
COC(=O)[C@H](CNC(=O)c1cccc(-c2ccoc2)c1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](CNC(=O)c1cccc(c1)-c1ccoc1)[*:1]
COC(=O)[C@H](CNC(=O)c1cccc(-c2ccoc2)c1)c1ccccc1 COC(=O)[*:1] O=C(NC[C@H](c1ccccc1)[*:1])c1cccc(c1)-c1ccoc1
COC(=O)[C@H](CNC(=O)c1cccc(-c2ccoc2)c1)c1ccccc1 c1cc(co1)[*:1] COC(=O)[C@H](CNC(=O)c1cccc(c1)[*:1])c1ccccc1
CC(C)CCn1ccc2c(NC(=O)c3cnc4sccn4c3=O)cccc21 CC(C)C[*:1] O=C(Nc1cccc2c1ccn2C[*:1])c1cnc2sccn2c1=O
CC(C)CCn1ccc2c(NC(=O)c3cnc4sccn4c3=O)cccc21 CC(C)[*:1] O=C(Nc1cccc2c1ccn2CC[*:1])c1cnc2sccn2c1=O
CC(C)CCn1ccc2c(NC(=O)c3cnc4sccn4c3=O)cccc21 CC(C)CC[*:1] O=C(Nc1cccc2c1ccn2[*:1])c1cnc2sccn2c1=O
Cc1cc(NC(=O)[C@H](C)[S@](=O)C2CCCCC2)on1 Cc1cc(on1)[*:1] C[C@@H](C(=O)N[*:1])[S@](=O)C1CCCCC1
Cc1cc(NC(=O)[C@H](C)[S@](=O)C2CCCCC2)on1 C1CCC(CC1)[*:1] Cc1cc(NC(=O)[C@H](C)[S@](=O)[*:1])on1
Cc1ncsc1C(=O)N1CCC(OCc2ccccn2)CC1 c1ccc(C[*:1])nc1 Cc1ncsc1C(=O)N1CCC(CC1)O[*:1]
Cc1ncsc1C(=O)N1CCC(OCc2ccccn2)CC1 Cc1ncsc1[*:1] O=C(N1CCC(CC1)OCc1ccccn1)[*:1]
Cc1ncsc1C(=O)N1CCC(OCc2ccccn2)CC1 c1ccc(nc1)[*:1] Cc1ncsc1C(=O)N1CCC(CC1)OC[*:1]
COc1ccc(-c2nc(NC(=O)c3ccncc3F)sc2C)cc1 Fc1cnccc1[*:1] COc1ccc(cc1)-c1nc(NC(=O)[*:1])sc1C
COc1ccc(-c2nc(NC(=O)c3ccncc3F)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1ccncc1F
O=C([O-])[C@H]1CC(=O)N(CCS(=O)(=O)c2ccc(F)cc2)C1 O=C([O-])[*:1] O=C1C[C@@H](CN1CCS(=O)(=O)c1ccc(F)cc1)[*:1]
O=C([O-])[C@H]1CC(=O)N(CCS(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C([O-])[C@H]1CC(=O)N(CCS(=O)(=O)[*:1])C1
O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)[C@@H]1Nc2ccccc2S1 c1ccc2[nH]c(nc2c1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1Nc2ccccc2S1
Cc1cc(C)c(NC(=O)CNC(=O)NCc2cc(F)ccc2F)c(C)c1 Fc1ccc(F)c(c1)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)NC[*:1])c(C)c1
C[NH+](C)[C@H]1CCN(c2cc(-c3ccc(F)cc3)nc3ccnn23)C[C@@H]1O Fc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CCN(C[C@@H]1O)c1cc(nc2ccnn12)[*:1]
O=C1N=C2Nc3ccc4ccccc4c3[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1 Clc1ccc(c(Cl)c1)[*:1] O=C1N=C2Nc3ccc4ccccc4c3[C@H]([C@@H]2C(=O)N1)[*:1]
Cc1ccc(C(=O)N2CC[C@H](C)CC[C@H]2C(C)C)cc1S(N)(=O)=O CC(C)[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)N1CC[C@H](C)CC[C@@H]1[*:1]
Cc1ccc(C(=O)N2CC[C@H](C)CC[C@H]2C(C)C)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)N1CC[C@H](C)CC[C@H]1C(C)C
CCC(=O)N1CCCN(C(=O)Nc2ccccc2-n2cccn2)CC1 c1cnn(c1)[*:1] CCC(=O)N1CCCN(CC1)C(=O)Nc1ccccc1[*:1]
COCC(=O)N1CCCc2ccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)cc21 Fc1ccc(cc1)[*:1] COCC(=O)N1CCCc2ccc(cc21)NC(=O)C1(CCOCC1)[*:1]
COCC(=O)N1CCCc2ccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)cc21 COC[*:1] O=C(Nc1ccc2CCCN(C(=O)[*:1])c2c1)C1(CCOCC1)c1ccc(F)cc1
Cc1ccc(C)c(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Oc1cccc(c1)[*:1]
O=C(CCc1nncn1-c1ccccc1)N1CCCC[C@H]1CCO c1ccc(cc1)[*:1] O=C(CCc1nncn1[*:1])N1CCCC[C@H]1CCO
O=C(CCc1nncn1-c1ccccc1)N1CCCC[C@H]1CCO OCC[*:1] O=C(CCc1nncn1-c1ccccc1)N1CCCC[C@@H]1[*:1]
Cc1ccc2[nH]c([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 FC(F)(F)[*:1] Cc1ccc2[nH]c(nc2c1)[C@H]1CCN(Cc2ccc(cc2)[*:1])C1
Cc1cc(NC(=O)CSc2nccn2-c2cccc(F)c2)no1 Cc1cc(no1)[*:1] O=C(CSc1nccn1-c1cccc(F)c1)N[*:1]
Cc1cc(NC(=O)CSc2nccn2-c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)CSc1nccn1[*:1]
O=[N+]([O-])C1=c2c(Cl)ccnc2=[NH+]C1 O=[N+]([O-])[*:1] Clc1ccnc2=[NH+]CC(=c12)[*:1]
CC1CCC([NH+]2CCN(C(=O)c3cn(Cc4cccnc4)nn3)CC2)CC1 c1cncc(c1)C[*:1] CC1CCC(CC1)[NH+]1CCN(CC1)C(=O)c1cn(nn1)[*:1]
CC1CCC([NH+]2CCN(C(=O)c3cn(Cc4cccnc4)nn3)CC2)CC1 c1cncc(c1)[*:1] CC1CCC(CC1)[NH+]1CCN(CC1)C(=O)c1cn(C[*:1])nn1
CC1CCC([NH+]2CCN(C(=O)c3cn(Cc4cccnc4)nn3)CC2)CC1 CC1CCC(CC1)[*:1] O=C(c1cn(Cc2cccnc2)nn1)N1CC[NH+](CC1)[*:1]
CC(C)[C@]1(C)CC(=O)N(c2cccc(OCC#N)c2)C1=O N#CC[*:1] CC(C)[C@]1(C)CC(=O)N(C1=O)c1cccc(c1)O[*:1]
CC(C)[C@]1(C)CC(=O)N(c2cccc(OCC#N)c2)C1=O CC(C)[*:1] C[C@@]1(CC(=O)N(C1=O)c1cccc(c1)OCC#N)[*:1]
CC(C)[C@]1(C)CC(=O)N(c2cccc(OCC#N)c2)C1=O N#CCO[*:1] CC(C)[C@]1(C)CC(=O)N(C1=O)c1cccc(c1)[*:1]
CCc1nc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)n[nH]1 CCc1nc(n[nH]1)[*:1] O=C(N1CCN(CC1)C[C@H]1CCCO1)[*:1]
CCc1nc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)n[nH]1 C1CO[C@H](C1)[*:1] CCc1nc(n[nH]1)C(=O)N1CCN(CC1)C[*:1]
CCc1nc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)n[nH]1 C1CO[C@H](C1)C[*:1] CCc1nc(n[nH]1)C(=O)N1CCN(CC1)[*:1]
CC(=O)Nc1cc(NC(=O)N[C@H](C)[C@@H](C)CO)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@H](C)[C@@H](C)CO
CC(=O)Nc1cc(NC(=O)N[C@H](C)[C@@H](C)CO)ccc1C C[C@@H](CO)[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)N[C@H](C)[*:1]
CC(C)N(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)c1nncn1C Cn1cnnc1[*:1] CC(C)N(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)[*:1]
CC(C)N(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)c1nncn1C CC(C)[*:1] C[C@H](NC(=O)N(Cc1cccc(Cl)c1)[*:1])c1nncn1C
CC(C)N(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)c1nncn1C Clc1cccc(c1)[*:1] CC(C)N(C[*:1])C(=O)N[C@@H](C)c1nncn1C
Cc1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1cc([nH]c1=S)[*:1]
COc1ccc(CNC(=O)c2cc3cn(C(C)C)cc3s2)c(OC)c1 CC(C)[*:1] COc1ccc(CNC(=O)c2cc3cn(cc3s2)[*:1])c(c1)OC
CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)C[NH+](Cc1ccccn1)CO3 CCOC(=O)CC[*:1] Cc1c(c(=O)oc2c3C[NH+](COc3ccc12)Cc1ccccn1)[*:1]
CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)C[NH+](Cc1ccccn1)CO3 c1ccc(C[*:1])nc1 CCOC(=O)CCc1c(C)c2ccc3OC[NH+](Cc3c2oc1=O)[*:1]
CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)C[NH+](Cc1ccccn1)CO3 CCOC(=O)[*:1] Cc1c(CC[*:1])c(=O)oc2c3C[NH+](COc3ccc12)Cc1ccccn1
CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)C[NH+](Cc1ccccn1)CO3 CCOC(=O)C[*:1] Cc1c(C[*:1])c(=O)oc2c3C[NH+](COc3ccc12)Cc1ccccn1
CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)C[NH+](Cc1ccccn1)CO3 c1ccc(nc1)[*:1] CCOC(=O)CCc1c(C)c2ccc3OC[NH+](Cc3c2oc1=O)C[*:1]
CC(C)C(=O)Nc1ccc(C(=O)NC(C)(C)c2cccc(F)c2)cc1 CC(C)C(=O)N[*:1] CC(C)(NC(=O)c1ccc(cc1)[*:1])c1cccc(F)c1
CC(C)C(=O)Nc1ccc(C(=O)NC(C)(C)c2cccc(F)c2)cc1 CC(C)[*:1] CC(C)(NC(=O)c1ccc(cc1)NC(=O)[*:1])c1cccc(F)c1
CC(C)C(=O)Nc1ccc(C(=O)NC(C)(C)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NC(C)(C)[*:1]
Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)nc2-c2ccco2)on1 c1cc2CCCc2cc1[*:1] Cc1cc(on1)-c1cc(=O)n(nc1-c1ccco1)[C@@H](C)C(=O)N[*:1]
Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)nc2-c2ccco2)on1 c1coc(c1)[*:1] Cc1cc(on1)-c1cc(=O)n(nc1[*:1])[C@@H](C)C(=O)Nc1ccc2CCCc2c1
Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)nc2-c2ccco2)on1 Cc1cc(on1)[*:1] C[C@@H](C(=O)Nc1ccc2CCCc2c1)n1nc(-c2ccco2)c(cc1=O)[*:1]
NC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1cn[nH]c1 c1n[nH]cc1[*:1] NC(=O)[C@H]1CCC[C@@H]1NC(=O)N[*:1]
NC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1cn[nH]c1 NC(=O)[*:1] O=C(Nc1cn[nH]c1)N[C@H]1CCC[C@@H]1[*:1]
COCCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O COCC[*:1] Cn1c(=O)n(c(=O)c2c1nc1N(CCCn12)Cc1ccccc1)[*:1]
COCCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O COC[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc1N(CCCn12)Cc1ccccc1
COCCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O c1ccc(cc1)C[*:1] COCCn1c(=O)c2c(nc3N(CCCn32)[*:1])n(C)c1=O
COCCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] COCCn1c(=O)c2c(nc3N(CCCn32)C[*:1])n(C)c1=O
CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 C1CN(CCO1)[*:1] CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(CC[*:1])C1
CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 CC(C)[*:1] Cn1cc(cn1)CN(C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1)[*:1]
CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 C1CN(CCO1)CC[*:1] CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(C1)[*:1]
CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 Cn1cc(cn1)C[*:1] CC(C)N(C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1)[*:1]
CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 Cn1cc(cn1)[*:1] CC(C)N(C[*:1])C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1
CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 C1CN(CCO1)C[*:1] CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(C1)C[*:1]
CCCC[C@@H](C[C@@H]1Cc2ccccc21)[NH2+]CC CCCC[*:1] CC[NH2+][C@H](C[C@@H]1Cc2ccccc21)[*:1]
CCCC[C@@H](C[C@@H]1Cc2ccccc21)[NH2+]CC CCC[*:1] CC[NH2+][C@H](C[C@@H]1Cc2ccccc21)C[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1cccc(c1)NC(=O)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 O=C(Nc1cccc(c1)C(F)(F)F)c1cccc(c1)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cccs2)c1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)NC(=O)c1cccs1
CC[NH+]1CCN(c2ncnc(NNC(=O)c3ccccc3C)c2N)CC1 Cc1ccccc1[*:1] CC[NH+]1CCN(CC1)c1ncnc(NNC(=O)[*:1])c1N
Nc1c(NCc2ccco2)ncnc1Nc1ccccc1Br Brc1ccccc1[*:1] Nc1c(ncnc1N[*:1])NCc1ccco1
Nc1c(NCc2ccco2)ncnc1Nc1ccccc1Br c1coc(c1)CN[*:1] Nc1c(ncnc1[*:1])Nc1ccccc1Br
Nc1c(NCc2ccco2)ncnc1Nc1ccccc1Br c1coc(c1)[*:1] Nc1c(ncnc1Nc1ccccc1Br)NC[*:1]
Nc1c(NCc2ccco2)ncnc1Nc1ccccc1Br c1coc(c1)C[*:1] Nc1c(ncnc1N[*:1])Nc1ccccc1Br
COc1cc(CNC(=O)C(C)C)ccc1OCc1ccccc1 CC(C)C(=O)N[*:1] COc1cc(ccc1OCc1ccccc1)C[*:1]
COc1cc(CNC(=O)C(C)C)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])CNC(=O)C(C)C
COc1cc(CNC(=O)C(C)C)ccc1OCc1ccccc1 CC(C)[*:1] COc1cc(ccc1OCc1ccccc1)CNC(=O)[*:1]
COc1cc(CNC(=O)C(C)C)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])CNC(=O)C(C)C
COc1cc(CNC(=O)C(C)C)ccc1OCc1ccccc1 CC(C)C(=O)NC[*:1] COc1cc(ccc1OCc1ccccc1)[*:1]
O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(c1cccnc1)N1CCc2cc(ccc21)NC(=O)[*:1]
O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc[nH]1 c1cncc(c1)[*:1] O=C(Nc1ccc2c(c1)CCN2C(=O)[*:1])c1ccc[nH]1
O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1ccc[nH]1 O=C(N[*:1])c1ccc[nH]1 O=C(c1cccnc1)N1CCc2cc(ccc21)[*:1]
C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nnc1-c1ccoc1C Cc1occc1[*:1] C=CCn1c(nnc1[*:1])SCc1cc(=O)n2cc(C)ccc2n1
C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nnc1-c1ccoc1C C=CC[*:1] Cc1ccc2nc(cc(=O)n2c1)CSc1nnc(-c2ccoc2C)n1[*:1]
Cc1c(NC(=O)c2ccc(OCc3ccccc3)cc2)cccc1C(N)=O c1ccc(cc1)[*:1] Cc1c(cccc1C(N)=O)NC(=O)c1ccc(cc1)OC[*:1]
Cc1c(NC(=O)c2ccc(OCc3ccccc3)cc2)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(cc1)OCc1ccccc1
Cc1c(NC(=O)c2ccc(OCc3ccccc3)cc2)cccc1C(N)=O c1ccc(cc1)CO[*:1] Cc1c(cccc1C(N)=O)NC(=O)c1ccc(cc1)[*:1]
Cc1c(NC(=O)c2ccc(OCc3ccccc3)cc2)cccc1C(N)=O c1ccc(cc1)C[*:1] Cc1c(cccc1C(N)=O)NC(=O)c1ccc(cc1)O[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)Cc1csc(n1)NC(=O)[C@@H]1CCC(=O)N1)[*:1]
CCc1cc(C[NH+]2CCC(C(=O)[O-])(n3ccc(-c4ccco4)n3)CC2)on1 O=C([O-])[*:1] CCc1cc(C[NH+]2CCC(CC2)(n2ccc(n2)-c2ccco2)[*:1])on1
CCc1cc(C[NH+]2CCC(C(=O)[O-])(n3ccc(-c4ccco4)n3)CC2)on1 c1coc(c1)[*:1] CCc1cc(C[NH+]2CCC(CC2)(C(=O)[O-])n2ccc(n2)[*:1])on1
CCc1cc(C[NH+]2CCC(C(=O)[O-])(n3ccc(-c4ccco4)n3)CC2)on1 CCc1cc(on1)[*:1] O=C([O-])C1(CC[NH+](CC1)C[*:1])n1ccc(n1)-c1ccco1
CCc1cc(C[NH+]2CCC(C(=O)[O-])(n3ccc(-c4ccco4)n3)CC2)on1 CCc1cc(C[*:1])on1 O=C([O-])C1(CC[NH+](CC1)[*:1])n1ccc(n1)-c1ccco1
CC(C)CCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)[C@H](C)C(=O)NCC[*:1]
CC(C)CCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)CCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)CCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(C(C)C)cc1 CC(C)CC[*:1] CC(C)c1ccc(cc1)S(=O)(=O)[C@H](C)C(=O)N[*:1]
CC(C)CCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(C(C)C)cc1 CC(C)C[*:1] CC(C)c1ccc(cc1)S(=O)(=O)[C@H](C)C(=O)NC[*:1]
CCCC(CCC)SC1CCS(=O)(=O)CC1 CCC[*:1] CCCC(SC1CCS(=O)(=O)CC1)[*:1]
O=C(O[C@H](c1ccccc1)c1cccc(F)c1)c1ccc2nncn2c1 c1ccc(cc1)[*:1] O=C(O[C@H](c1cccc(F)c1)[*:1])c1ccc2nncn2c1
O=C(O[C@H](c1ccccc1)c1cccc(F)c1)c1ccc2nncn2c1 Fc1cccc(c1)[*:1] O=C(O[C@H](c1ccccc1)[*:1])c1ccc2nncn2c1
Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(C#N)c2)cc1 Cc1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)CSc1nncn1[*:1]
Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(C#N)c2)cc1 N#Cc1cccc(c1)[*:1] Cc1ccc(cc1)-n1cnnc1SCC(=O)N[*:1]
Cc1ccc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)cc1 C1CCCC(CC1)[*:1] Cc1ccc(cc1)C[NH+]1CCC(CC1)C(=O)N[*:1]
Cc1ccc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCCCCC1)C1CC[NH+](CC1)C[*:1]
Cc1ccc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(NC1CCCCCC1)C1CC[NH+](CC1)[*:1]
CCOc1cccc(C=O)c1OCCO CCO[*:1] O=Cc1cccc(c1OCCO)[*:1]
CCOc1cccc(C=O)c1OCCO OCC[*:1] CCOc1cccc(C=O)c1O[*:1]
CCOc1cccc(C=O)c1OCCO OCCO[*:1] CCOc1cccc(C=O)c1[*:1]
CC[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)C1=O CC(C)(C)[*:1] CC[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2ccc(cc2)[*:1])C1=O
CC[C@H](C)C[C@H](C)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O CC[C@H](C)[*:1] C[C@@H](C[*:1])NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O
CC[C@H](C)C[C@H](C)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O CC[C@H](C)C[C@H](C)[*:1] C[C@H](C(=O)N[*:1])N1C(=O)NC2(CCCC2)C1=O
CC[C@H](C)C[C@H](C)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O CC[C@H](C)C[*:1] C[C@H](NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)[*:1]
O=C(CNS(=O)(=O)c1ccccc1F)NC1CCCCC1 Fc1ccccc1[*:1] O=C(CNS(=O)(=O)[*:1])NC1CCCCC1
O=C(CNS(=O)(=O)c1ccccc1F)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CNS(=O)(=O)c1ccccc1F)N[*:1]
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)c1cnn2c1NC1CCCC(=O)C=1[C@@H]2[*:1]
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)[C@H]1C2C(=O)CCCC=2Nc2c(cnn21)C(=O)N[*:1]
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 Cc1cccc(c1)NC(=O)[*:1] COc1ccc(cc1)[C@H]1C2C(=O)CCCC=2Nc2c(cnn21)[*:1]
CCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2c(C)cccc2C)c1=O Cc1cccc(C)c1[*:1] CCC(=O)Nc1cc(nn(CC(=O)N[*:1])c1=O)-c1ccc(C)cc1
CCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2c(C)cccc2C)c1=O Cc1ccc(cc1)[*:1] CCC(=O)Nc1cc(nn(CC(=O)Nc2c(C)cccc2C)c1=O)[*:1]
CCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2c(C)cccc2C)c1=O CCC(=O)N[*:1] Cc1ccc(cc1)-c1cc(c(=O)n(CC(=O)Nc2c(C)cccc2C)n1)[*:1]
CC(C)(CNC(=O)CSCC(F)(F)F)C1CCCC1 FC(F)(F)CS[*:1] CC(C)(CNC(=O)C[*:1])C1CCCC1
CC(C)(CNC(=O)CSCC(F)(F)F)C1CCCC1 FC(F)(F)C[*:1] CC(C)(CNC(=O)CS[*:1])C1CCCC1
CC(C)(CNC(=O)CSCC(F)(F)F)C1CCCC1 FC(F)(F)[*:1] CC(C)(CNC(=O)CSC[*:1])C1CCCC1
CC(C)(CNC(=O)CSCC(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] CC(C)(CNC(=O)CSCC(F)(F)F)[*:1]
O=C(NCCCO)N[C@@H]1CCCC[C@@H]1OC1CCCC1 OCC[*:1] O=C(NC[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
O=C(NCCCO)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(NCCCO)N[C@@H]1CCCC[C@@H]1O[*:1]
O=C(NCCCO)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(NCCCO)N[C@@H]1CCCC[C@H]1[*:1]
O=C(NCCCO)N[C@@H]1CCCC[C@@H]1OC1CCCC1 OCCC[*:1] O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)N[*:1]
Cn1cc[nH+]c1CN1CCN(Cc2ccc(-c3cccs3)cc2F)CC1 c1csc(c1)[*:1] Cn1cc[nH+]c1CN1CCN(CC1)Cc1ccc(cc1F)[*:1]
Cc1c(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H]1CCCCC[C@H]1C(N)=O
Cc1c(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)cnn1C(C)C NC(=O)[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
Cc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)c(-n2cnnn2)c1 c1nnnn1[*:1] Cc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)c(c1)[*:1]
Cc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)c(-n2cnnn2)c1 O=C(N1CCCCC1)[*:1] Cc1ccc(-c2nnn(C[*:1])n2)c(c1)-n1cnnn1
CC(C)CNC(=O)c1ccccc1NS(C)(=O)=O CS(=O)(=O)N[*:1] CC(C)CNC(=O)c1ccccc1[*:1]
CC(C)CNC(=O)c1ccccc1NS(C)(=O)=O CC(C)[*:1] CS(=O)(=O)Nc1ccccc1C(=O)NC[*:1]
CC(C)CNC(=O)c1ccccc1NS(C)(=O)=O CC(C)C[*:1] CS(=O)(=O)Nc1ccccc1C(=O)N[*:1]
CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]C2CCC2)C1 C1CC(C1)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[NH2+][*:1]
CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]C2CCC2)C1 CS(=O)(=O)[*:1] C1CC(C1)[NH2+][C@H]1CCC[C@@H](C1)[*:1]
CCN(CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCN(CC(=O)N1CC(=O)Nc2ccccc21)[*:1]
C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1c(F)cccc1F c1ccc(cc1)[*:1] C[C@@H](O)CN(S(=O)(=O)c1c(F)cccc1F)[*:1]
CCC[NH2+][C@@H](Cc1ccc(CC)s1)c1ccc(Cl)cn1 CCC[*:1] CCc1ccc(C[C@H]([NH2+][*:1])c2ccc(Cl)cn2)s1
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2sccc2C)S(C)(=O)=O)cc1 COc1ccc(cc1)[*:1] Cc1ccsc1/C=N/NC(=O)[C@H](C)N(S(C)(=O)=O)[*:1]
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2sccc2C)S(C)(=O)=O)cc1 Cc1ccsc1[*:1] COc1ccc(cc1)N([C@@H](C)C(=O)NN=C[*:1])S(C)(=O)=O
C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccnc(-n2ccnc2)c1 c1cn(cn1)[*:1] C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccnc(c1)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccnc(-n2ccnc2)c1 c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCc1ccnc(c1)-n1ccnc1
C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccnc(-n2ccnc2)c1 O=C(N[*:1])c1cccs1 C[C@H](C(=O)NCc1ccnc(c1)-n1ccnc1)[*:1]
Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)c(C)s1 O=S(=O)(NC1CC1)[*:1] Cc1cc(C(=O)Nc2cccc(c2C)[*:1])c(C)s1
Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1c(cccc1S(=O)(=O)NC1CC1)NC(=O)[*:1]
Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)c(C)s1 C1CC1[*:1] Cc1cc(C(=O)Nc2cccc(c2C)S(=O)(=O)N[*:1])c(C)s1
CCOc1ncnc(N[C@H](C)[C@@H]2CCCO2)c1N CCO[*:1] C[C@@H](Nc1ncnc(c1N)[*:1])[C@@H]1CCCO1
CCOc1ncnc(N[C@H](C)[C@@H]2CCCO2)c1N C1CO[C@@H](C1)[*:1] CCOc1ncnc(N[C@H](C)[*:1])c1N
Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCCSCC2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCCSCC1
COc1ccc2c(CC(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)cc(=O)oc2c1 NC(=O)[*:1] COc1ccc2c(cc(=O)oc2c1)CC(=O)N1C[C@@H](CC[C@@H]1C)[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)[C@H]1CCCO1 CCCS(=O)(=O)[*:1] C[C@@H](NC(=O)c1ccccc1[*:1])[C@H]1CCCO1
CCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)[C@H]1CCCO1 CCC[*:1] C[C@@H](NC(=O)c1ccccc1S(=O)(=O)[*:1])[C@H]1CCCO1
C=CCC[C@@H]([NH3+])C(C)(C)OC C=CC[*:1] COC(C)(C)[C@H]([NH3+])C[*:1]
Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)c(C)n1C(C)C Oc1ccccc1[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)[*:1])c(C)n1C(C)C
Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)c2ccccc2O)c(C)n1[*:1]
CCCCN(C)C(=O)Cc1cccc2ccccc12 CCCC[*:1] CN(C(=O)Cc1cccc2ccccc12)[*:1]
CCCCN(C)C(=O)Cc1cccc2ccccc12 CCC[*:1] CN(C[*:1])C(=O)Cc1cccc2ccccc12
Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C(N)=O)cc2)c2cccs2)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)S(=O)(=O)N[C@@H](c1cccs1)[*:1]
Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C(N)=O)cc2)c2cccs2)cc1 NC(=O)[*:1] Cc1ccc(cc1)[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1cccs1
Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C(N)=O)cc2)c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@@H](NS(=O)(=O)c1ccc(cc1)C(N)=O)[*:1]
CCc1ccsc1CNC(=O)NCc1cccc(NC(C)C)c1 CCc1ccsc1[*:1] CC(C)Nc1cccc(c1)CNC(=O)NC[*:1]
CCc1ccsc1CNC(=O)NCc1cccc(NC(C)C)c1 CC(C)N[*:1] CCc1ccsc1CNC(=O)NCc1cccc(c1)[*:1]
CCc1ccsc1CNC(=O)NCc1cccc(NC(C)C)c1 CC(C)[*:1] CCc1ccsc1CNC(=O)NCc1cccc(c1)N[*:1]
CCN(Cc1nc(CS(C)(=O)=O)no1)c1ccc2ccccc2c1 CS(=O)(=O)[*:1] CCN(Cc1nc(C[*:1])no1)c1ccc2ccccc2c1
CCN(Cc1nc(CS(C)(=O)=O)no1)c1ccc2ccccc2c1 CS(=O)(=O)C[*:1] CCN(Cc1nc(no1)[*:1])c1ccc2ccccc2c1
C=CC[NH+](CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 O=C([O-])[*:1] C=CC[NH+](Cc1ccc(cc1)C(F)(F)F)C[*:1]
C=CC[NH+](CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C=CC[NH+](CC(=O)[O-])Cc1ccc(cc1)[*:1]
C[C@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])C(=O)[C@@H]1COc2ccccc21
CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(CC(N)=O)CC1 NC(=O)[*:1] CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(CC1)C[*:1]
CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(CC(N)=O)CC1 CC(C)C[*:1] C[NH+](C)C[C@H](NC(=O)N1CCC(CC1)CC(N)=O)[*:1]
CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(CC(N)=O)CC1 NC(=O)C[*:1] CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(CC1)[*:1]
CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(CC(N)=O)CC1 CC(C)[*:1] C[NH+](C)C[C@@H](C[*:1])NC(=O)N1CCC(CC1)CC(N)=O
Cc1cc(C)c2c(NCCCSc3nnc(C)s3)ncnc2n1 Cc1nnc(s1)[*:1] Cc1cc(C)c2c(ncnc2n1)NCCCS[*:1]
Cc1cc(C)c2c(NCCCSc3nnc(C)s3)ncnc2n1 Cc1nnc(S[*:1])s1 Cc1cc(C)c2c(ncnc2n1)NCCC[*:1]
COc1cccc(NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 O=C(N[*:1])C1CC1 COc1cccc(c1)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1cccc(NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)NC(=O)C1CC1
COc1cccc(NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 C1CC1[*:1] COc1cccc(c1)NC(=O)N[C@H](C)c1ccc(cc1)NC(=O)[*:1]
COc1cccc(OCC(=O)NCC2CCN(C(=O)c3cc(C)on3)CC2)c1 Cc1cc(no1)[*:1] COc1cccc(c1)OCC(=O)NCC1CCN(CC1)C(=O)[*:1]
COc1cccc(OCC(=O)NCC2CCN(C(=O)c3cc(C)on3)CC2)c1 COc1cccc(c1)O[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)CNC(=O)C[*:1]
COc1cccc(OCC(=O)NCC2CCN(C(=O)c3cc(C)on3)CC2)c1 COc1cccc(c1)[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)CNC(=O)CO[*:1]
COCc1nn2c(N)c(C#N)cnc2c1-c1ccccc1 c1ccc(cc1)[*:1] COCc1nn2c(N)c(C#N)cnc2c1[*:1]
COCc1nn2c(N)c(C#N)cnc2c1-c1ccccc1 COC[*:1] N#Cc1cnc2c(-c3ccccc3)c(nn2c1N)[*:1]
CCC[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1NS(C)(=O)=O O=c1ccccn1[*:1] CCC[C@H]1CN(C[C@@H]1NS(C)(=O)=O)C(=O)CC[*:1]
CCC[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1NS(C)(=O)=O CS(=O)(=O)N[*:1] CCC[C@H]1CN(C[C@H]1[*:1])C(=O)CCn1ccccc1=O
CCC[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1NS(C)(=O)=O O=c1ccccn1C[*:1] CCC[C@H]1CN(C[C@@H]1NS(C)(=O)=O)C(=O)C[*:1]
CCC[C@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1NS(C)(=O)=O CCC[*:1] CS(=O)(=O)N[C@H]1CN(C[C@@H]1[*:1])C(=O)CCn1ccccc1=O
CNC(=O)c1cccc(N2CCN(Cc3cccs3)CC2)n1 CNC(=O)[*:1] c1cc(nc(c1)[*:1])N1CCN(CC1)Cc1cccs1
CNC(=O)c1cccc(N2CCN(Cc3cccs3)CC2)n1 c1csc(c1)[*:1] CNC(=O)c1cccc(n1)N1CCN(CC1)C[*:1]
CNC(=O)c1cccc(N2CCN(Cc3cccs3)CC2)n1 c1csc(c1)C[*:1] CNC(=O)c1cccc(n1)N1CCN(CC1)[*:1]
O=C(Cc1ccccc1F)N1CCCC[C@@H]1c1cc[nH]n1 Fc1ccccc1[*:1] O=C(C[*:1])N1CCCC[C@@H]1c1cc[nH]n1
O=C(Cc1ccccc1F)N1CCCC[C@@H]1c1cc[nH]n1 c1cc(n[nH]1)[*:1] O=C(Cc1ccccc1F)N1CCCC[C@H]1[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCC(=O)N2CCCCC2)CC1=O O=C(N1CCCCC1)[*:1] C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)NCC[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCC(=O)N2CCCCC2)CC1=O C[C@@H](c1ccccc1)[*:1] O=C(NCCC(=O)N1CCCCC1)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCC(=O)N2CCCCC2)CC1=O c1ccc(cc1)[*:1] C[C@@H](N1C[C@@H](CC1=O)C(=O)NCCC(=O)N1CCCCC1)[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCC(=O)N2CCCCC2)CC1=O O=C(C[*:1])N1CCCCC1 C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
Cc1[nH+]ccn1[C@H](C)CN1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] Cc1[nH+]ccn1[C@H](C)CN1CCN(CC1)[*:1]
C#CCOc1ccc(CCNC(=O)CN2CCCOC2=O)cc1 O=C1OCCCN1[*:1] C#CCOc1ccc(cc1)CCNC(=O)C[*:1]
C#CCOc1ccc(CCNC(=O)CN2CCCOC2=O)cc1 C#CC[*:1] O=C(CN1CCCOC1=O)NCCc1ccc(cc1)O[*:1]
C#CCOc1ccc(CCNC(=O)CN2CCCOC2=O)cc1 C#CCO[*:1] O=C(CN1CCCOC1=O)NCCc1ccc(cc1)[*:1]
COc1ccc(Cn2cccn2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] COc1ccc(cc1[*:1])Cn1cccn1
COc1ccc(Cn2cccn2)cc1S(C)(=O)=O c1cnn(c1)C[*:1] COc1ccc(cc1S(C)(=O)=O)[*:1]
COc1ccc(Cn2cccn2)cc1S(C)(=O)=O c1cnn(c1)[*:1] COc1ccc(cc1S(C)(=O)=O)C[*:1]
CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(SC)cc2)[C@H](C#N)C(=O)N3)CC1 CSc1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)c1nc2NC(=O)[C@@H](C#N)[C@@H](c2c(=O)[nH]1)[*:1]
CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(SC)cc2)[C@H](C#N)C(=O)N3)CC1 CCOC(=O)C1CCN(CC1)[*:1] CSc1ccc(cc1)[C@H]1c2c(nc([nH]c2=O)[*:1])NC(=O)[C@H]1C#N
CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(SC)cc2)[C@H](C#N)C(=O)N3)CC1 CCOC(=O)[*:1] CSc1ccc(cc1)[C@H]1c2c(nc([nH]c2=O)N2CCC(CC2)[*:1])NC(=O)[C@H]1C#N
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1O Cc1ccc(cc1)[*:1] COc1cc(/C=C(/C#N)C(=O)N[*:1])ccc1O
COc1ccccc1CNC(=O)C[C@H]1N=C2c3ccccc3NC(=S)N2C1=O COc1ccccc1C[*:1] O=C(C[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)N[*:1]
COc1ccccc1CNC(=O)C[C@H]1N=C2c3ccccc3NC(=S)N2C1=O COc1ccccc1[*:1] O=C(C[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NC[*:1]
Cc1cc(C)c2c(c1)N(C(=O)CCCNC(=O)NC1CCCCC1)CCC2 C1CCC(CC1)[*:1] Cc1cc(C)c2CCCN(C(=O)CCCNC(=O)N[*:1])c2c1
CN(C[C@H]1CCCO1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 Fc1ccc(cc1)[*:1] CN(C[C@H]1CCCO1)C(=O)C1C[C@@H](C(N)=O)N(N=1)[*:1]
CN(C[C@H]1CCCO1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 C1CO[C@H](C1)[*:1] CN(C[*:1])C(=O)C1C[C@@H](C(N)=O)N(N=1)c1ccc(F)cc1
CN(C[C@H]1CCCO1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 C1CO[C@H](C1)C[*:1] CN(C(=O)C1C[C@@H](C(N)=O)N(N=1)c1ccc(F)cc1)[*:1]
CN(C[C@H]1CCCO1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 NC(=O)[*:1] CN(C[C@H]1CCCO1)C(=O)C1C[C@@H](N(N=1)c1ccc(F)cc1)[*:1]
COc1ccc(-c2nn(C[NH+]3CCC(C(=O)N(C)C)CC3)c(=S)o2)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)-c1nn(C[NH+]2CCC(CC2)[*:1])c(=S)o1
COc1ccc(-c2nn(C[NH+]3CCC(C(=O)N(C)C)CC3)c(=S)o2)cc1 COc1ccc(cc1)[*:1] CN(C)C(=O)C1CC[NH+](CC1)Cn1nc(oc1=S)[*:1]
CCOc1ccc2c(c1)=[NH+][C@H](SCC(=O)[O-])[NH+]=2 O=C([O-])[*:1] CCOc1ccc2=[NH+][C@H]([NH+]=c2c1)SC[*:1]
CCOc1ccc2c(c1)=[NH+][C@H](SCC(=O)[O-])[NH+]=2 O=C([O-])CS[*:1] CCOc1ccc2=[NH+][C@@H]([NH+]=c2c1)[*:1]
CCOc1ccc2c(c1)=[NH+][C@H](SCC(=O)[O-])[NH+]=2 O=C([O-])C[*:1] CCOc1ccc2=[NH+][C@H]([NH+]=c2c1)S[*:1]
CCOc1ccc2c(c1)=[NH+][C@H](SCC(=O)[O-])[NH+]=2 CCO[*:1] O=C([O-])CS[C@@H]1[NH+]=c2ccc(cc2=[NH+]1)[*:1]
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2ccccn12)c1cccs1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@H](C[*:1])C(=O)NCc1nnc2ccccn12)c1cccs1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2ccccn12)c1cccs1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(N[C@H](C(=O)NCc1nnc2ccccn12)[*:1])c1cccs1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2ccccn12)c1cccs1 O=C(N[*:1])c1cccs1 O=C(NCc1nnc2ccccn12)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2ccccn12)c1cccs1 c1ccn2c(C[*:1])nnc2c1 O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1])c1cccs1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2ccccn12)c1cccs1 c1ccn2c(nnc2c1)[*:1] O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[*:1])c1cccs1
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2ccccn12)c1cccs1 c1csc(c1)[*:1] O=C(NCc1nnc2ccccn12)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[*:1]
CCOCC(=O)NNC(=O)c1sc2cccc(F)c2c1COC COC[*:1] CCOCC(=O)NNC(=O)c1sc2cccc(F)c2c1[*:1]
CCOCC(=O)NNC(=O)c1sc2cccc(F)c2c1COC CCO[*:1] COCc1c(sc2cccc(F)c12)C(=O)NNC(=O)C[*:1]
CCOCC(=O)NNC(=O)c1sc2cccc(F)c2c1COC CCOC[*:1] COCc1c(sc2cccc(F)c12)C(=O)NNC(=O)[*:1]
CCCN(CC(=O)N(C)C)c1cccc(F)c1C(N)=S CN(C)C(=O)C[*:1] CCCN(c1cccc(F)c1C(N)=S)[*:1]
CCCN(CC(=O)N(C)C)c1cccc(F)c1C(N)=S CCC[*:1] CN(C)C(=O)CN(c1cccc(F)c1C(N)=S)[*:1]
CCCN(CC(=O)N(C)C)c1cccc(F)c1C(N)=S NC(=S)[*:1] CCCN(CC(=O)N(C)C)c1cccc(F)c1[*:1]
CCCN(CC(=O)N(C)C)c1cccc(F)c1C(N)=S CN(C)C(=O)[*:1] CCCN(C[*:1])c1cccc(F)c1C(N)=S
Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C)[C@@H]2C)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@H](CNC(=O)N1CCC[C@H](C)[C@@H]1C)[*:1]
Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C)[C@@H]2C)N2CCOCC2)o1 Cc1ccc(o1)[*:1] C[C@H]1CCCN(C(=O)NC[C@H](N2CCOCC2)[*:1])[C@H]1C
COc1ccc([C@H]2C(N)=NC(=O)N2C2CC2)c(OC)c1 C1CC1[*:1] COc1ccc(c(c1)OC)[C@H]1C(N)=NC(=O)N1[*:1]
Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCCOc1ccccc1 c1ccc(cc1)OC[*:1] Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SC[*:1]
Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCCOc1ccccc1 c1ccc(cc1)[*:1] Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCCO[*:1]
Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCCOc1ccccc1 c1ccc(cc1)O[*:1] Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC[*:1]
COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N1CCN(c2cnccn2)CC1 COc1ccccc1[*:1] O=C1NCCN(CC=C[*:1])[C@@H]1CC(=O)N1CCN(CC1)c1cnccn1
COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N1CCN(c2cnccn2)CC1 COc1ccccc1C=C[*:1] O=C1NCCN(C[*:1])[C@@H]1CC(=O)N1CCN(CC1)c1cnccn1
COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N1CCN(c2cnccn2)CC1 COc1ccccc1/C=C/C[*:1] O=C1NCCN([C@@H]1CC(=O)N1CCN(CC1)c1cnccn1)[*:1]
COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N1CCN(CC1)[*:1]
Cc1noc(COc2ccccc2-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(COc2ccccc2[*:1])n1
Cc1noc(COc2ccccc2-c2ccccc2)n1 Cc1noc(n1)[*:1] c1ccc(cc1)-c1ccccc1OC[*:1]
CCN(CC)C(=O)N(CC/C(N)=N/O)C(C)C N/C(C[*:1])=N\O CCN(CC)C(=O)N(C[*:1])C(C)C
CCN(CC)C(=O)N(CC/C(N)=N/O)C(C)C CC(C)[*:1] CCN(CC)C(=O)N(CC/C(N)=N/O)[*:1]
CCN(CC)C(=O)N(CC/C(N)=N/O)C(C)C N/C(=N\O)[*:1] CCN(CC)C(=O)N(CC[*:1])C(C)C
Cc1cc(CC(=O)N(Cc2ccc(C)o2)c2ccc(F)cc2)no1 Cc1ccc(C[*:1])o1 Cc1cc(CC(=O)N(c2ccc(F)cc2)[*:1])no1
Cc1cc(CC(=O)N(Cc2ccc(C)o2)c2ccc(F)cc2)no1 Cc1ccc(o1)[*:1] Cc1cc(CC(=O)N(C[*:1])c2ccc(F)cc2)no1
Cc1cc(CC(=O)N(Cc2ccc(C)o2)c2ccc(F)cc2)no1 Cc1cc(C[*:1])no1 Cc1ccc(CN(C(=O)[*:1])c2ccc(F)cc2)o1
Cc1cc(CC(=O)N(Cc2ccc(C)o2)c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] Cc1cc(CC(=O)N(Cc2ccc(C)o2)[*:1])no1
Cc1cc(CC(=O)N(Cc2ccc(C)o2)c2ccc(F)cc2)no1 Cc1cc(no1)[*:1] Cc1ccc(CN(C(=O)C[*:1])c2ccc(F)cc2)o1
C[C@H]1C[C@H]1C(=O)NCc1cccc(C#N)c1 C[C@H]1C[C@@H]1[*:1] N#Cc1cccc(c1)CNC(=O)[*:1]
C[NH+](CC(=O)N1CCC(C)(C)C1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](CC(=O)N1CCC(C)(C)C1)C[*:1]
CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1OC Cc1cc(C)c(c(C)c1)[*:1] CCn1c(nnc1-c1ccccc1OC)S[C@@H](C)C(=O)N[*:1]
CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1OC COc1ccccc1[*:1] CCn1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C
Cc1ccc2c(c1)CCN2[C@H](C)C(N)=O NC(=O)[*:1] Cc1ccc2c(c1)CCN2[C@H](C)[*:1]
Cc1ccc2c(c1)CCN2[C@H](C)C(N)=O C[C@H](C(N)=O)[*:1] Cc1ccc2c(c1)CCN2[*:1]
C[C@H]1C[C@H]([NH3+])CN(C(=O)Cn2cccn2)C1 c1cnn(c1)[*:1] C[C@H]1C[C@H]([NH3+])CN(C1)C(=O)C[*:1]
CC[C@H](C)N(C)C(=O)Nc1ccc(C)cc1Cl CC[C@H](C)[*:1] Cc1ccc(NC(=O)N(C)[*:1])c(Cl)c1
CC(C)Cc1nnc(NC(=O)COCc2ccccc2Cl)s1 CC(C)[*:1] O=C(COCc1ccccc1Cl)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)COCc2ccccc2Cl)s1 CC(C)C[*:1] O=C(COCc1ccccc1Cl)Nc1nnc(s1)[*:1]
CC(C)Cc1nnc(NC(=O)COCc2ccccc2Cl)s1 Clc1ccccc1[*:1] CC(C)Cc1nnc(NC(=O)COC[*:1])s1
Cc1nc(C(F)(F)F)nc(N2CCN[C@H](C(=O)NC3CC3)C2)c1C O=C(NC1CC1)[*:1] Cc1nc(nc(c1C)N1CCN[C@H](C1)[*:1])C(F)(F)F
Cc1nc(C(F)(F)F)nc(N2CCN[C@H](C(=O)NC3CC3)C2)c1C FC(F)(F)[*:1] Cc1nc(nc(c1C)N1CCN[C@@H](C1)C(=O)NC1CC1)[*:1]
Cc1nc(C(F)(F)F)nc(N2CCN[C@H](C(=O)NC3CC3)C2)c1C C1CC1[*:1] Cc1nc(nc(c1C)N1CCN[C@@H](C1)C(=O)N[*:1])C(F)(F)F
CC(C)[NH+](C)Cc1cccc(CNC(=O)c2cn(C)nc2-c2cccs2)c1 CC(C)[*:1] Cn1cc(C(=O)NCc2cccc(c2)C[NH+](C)[*:1])c(n1)-c1cccs1
CC(C)[NH+](C)Cc1cccc(CNC(=O)c2cn(C)nc2-c2cccs2)c1 c1csc(c1)[*:1] CC(C)[NH+](C)Cc1cccc(c1)CNC(=O)c1cn(C)nc1[*:1]
Cc1cc(NC(=O)CS(=O)(=O)C2CCCC2)ccc1C(=O)NC(C)C O=S(=O)(C1CCCC1)[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)C[*:1]
Cc1cc(NC(=O)CS(=O)(=O)C2CCCC2)ccc1C(=O)NC(C)C C1CCC(C1)[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)CS(=O)(=O)[*:1]
Cc1cc(NC(=O)CS(=O)(=O)C2CCCC2)ccc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)CS(=O)(=O)C1CCCC1
Cc1cc(NC(=O)CS(=O)(=O)C2CCCC2)ccc1C(=O)NC(C)C CC(C)[*:1] Cc1cc(ccc1C(=O)N[*:1])NC(=O)CS(=O)(=O)C1CCCC1
CCOC(=O)C1(O)CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 CCOC(=O)[*:1] OC1(CC[NH+](CC1)Cc1ccc(Cl)c(F)c1)[*:1]
CC(C)(C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 CC(C)(C)[*:1] O=C(NC[C@H]1C[NH+]2CCN1CC2)[*:1]
O=C(Cc1n[nH]c2ccccc12)N[C@@H]1CCN(c2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] O=C(Cc1n[nH]c2ccccc12)N[C@@H]1CCN(C1)[*:1]
C[C@@H](C(=O)N(C)C1CCOCC1)n1nnc(-c2ccccc2)n1 C1CC(CCO1)[*:1] C[C@@H](C(=O)N(C)[*:1])n1nnc(n1)-c1ccccc1
C[C@@H](C(=O)N(C)C1CCOCC1)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N(C)C1CCOCC1)n1nnc(n1)[*:1]
Cc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)nnn1-c1ccc(OC(F)F)cc1 FC(F)(F)[*:1] Cc1c(nnn1-c1ccc(cc1)OC(F)F)C(=O)Nc1ccc(F)c(c1)[*:1]
Cc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)nnn1-c1ccc(OC(F)F)cc1 FC(F)O[*:1] Cc1c(nnn1-c1ccc(cc1)[*:1])C(=O)Nc1ccc(F)c(c1)C(F)(F)F
Cc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)nnn1-c1ccc(OC(F)F)cc1 FC(F)[*:1] Cc1c(nnn1-c1ccc(cc1)O[*:1])C(=O)Nc1ccc(F)c(c1)C(F)(F)F
Cc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)nnn1-c1ccc(OC(F)F)cc1 FC(F)Oc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)Nc1ccc(F)c(c1)C(F)(F)F
CCOC(=O)/C(C#N)=C/c1cccn1C CCOC(=O)[*:1] Cn1cccc1C=C(C#N)[*:1]
O=C(c1ccccc1OC(F)F)N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(c1ccccc1OC(F)F)N1CCCC[C@@H]1[*:1]
O=C(c1ccccc1OC(F)F)N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(c1ccccc1OC(F)F)N1CCCC[C@H]1C[*:1]
O=C(c1ccccc1OC(F)F)N1CCCC[C@H]1CN1CCOCC1 FC(F)[*:1] O=C(c1ccccc1O[*:1])N1CCCC[C@H]1CN1CCOCC1
O=C(c1ccccc1OC(F)F)N1CCCC[C@H]1CN1CCOCC1 FC(F)O[*:1] O=C(c1ccccc1[*:1])N1CCCC[C@H]1CN1CCOCC1
CC(C)(C)CNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 CC(C)(C)C[*:1] O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[*:1]
CC(C)(C)CNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 CC(C)(C)[*:1] O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[*:1]
Cc1ccc(C(=O)NN(C)c2cnn(C)c(=O)c2Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NN(C)c1cnn(C)c(=O)c1Cl
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@H]3Cc4cc(C)c(C)cc4O3)C2)c1 CCOC(=O)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
CCOc1ncccc1/C([O-])=N/S(=O)(=O)Cc1ccccc1Cl CCO[*:1] O=S(=O)(Cc1ccccc1Cl)/N=C(\[O-])c1cccnc1[*:1]
CCOc1ncccc1/C([O-])=N/S(=O)(=O)Cc1ccccc1Cl Clc1ccccc1[*:1] CCOc1ncccc1/C([O-])=N/S(=O)(=O)C[*:1]
C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](c1nc(no1)[*:1])[NH+]1CCN(CC1)S(=O)(=O)c1ccccc1
C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](c1nc(C[*:1])no1)[NH+]1CCN(CC1)S(=O)(=O)c1ccccc1
C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCc1cccc(Cl)c1)C1=NO[C@H](Cc2noc(-c3cccc(Cl)c3)n2)C1 Clc1cccc(c1)[*:1] O=C(NCc1cccc(Cl)c1)C1C[C@@H](Cc2noc(n2)[*:1])ON=1
O=C(NCc1cccc(Cl)c1)C1=NO[C@H](Cc2noc(-c3cccc(Cl)c3)n2)C1 Clc1cccc(c1)[*:1] O=C(NC[*:1])C1C[C@@H](Cc2noc(n2)-c2cccc(Cl)c2)ON=1
O=C(NCc1cccc(Cl)c1)C1=NO[C@H](Cc2noc(-c3cccc(Cl)c3)n2)C1 Clc1cccc(c1)C[*:1] O=C(N[*:1])C1C[C@@H](Cc2noc(n2)-c2cccc(Cl)c2)ON=1
COCCn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nc2ccccc21 COCC[*:1] NC(=O)[C@@H](Sc1nc2ccccc2n1[*:1])c1ccc(F)cc1
COCCn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nc2ccccc21 COC[*:1] NC(=O)[C@@H](Sc1nc2ccccc2n1C[*:1])c1ccc(F)cc1
COCCn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nc2ccccc21 NC(=O)[*:1] COCCn1c(nc2ccccc21)S[C@H](c1ccc(F)cc1)[*:1]
COCCn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nc2ccccc21 Fc1ccc(cc1)[*:1] COCCn1c(nc2ccccc21)S[C@H](C(N)=O)[*:1]
C[C@@H](Sc1nc2ncccn2n1)C(=O)NC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nc2ncccn2n1)C(=O)NC(=O)NC[*:1]
C[C@@H](Sc1nc2ncccn2n1)C(=O)NC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Sc1nc2ncccn2n1)C(=O)NC(=O)N[*:1]
O=C(NNC(=O)c1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 Fc1ccccc1[*:1] O=C(NNC(=O)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(NNC(=O)c1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(NNC(=O)c1ccccc1F)c1cccc(c1)[*:1]
Cn1ncnc1CNC(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cn1ncnc1CNC(=O)N[C@H]1CCC[C@@H]1c1ccccc1[*:1]
Cn1ncnc1CNC(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F Cn1ncnc1[*:1] O=C(NC[*:1])N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
Cn1ncnc1CNC(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F Cn1ncnc1C[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)N[*:1]
CCNC(=O)CC[NH2+][C@H](C)Cn1cccn1 CCNC(=O)[*:1] C[C@H](Cn1cccn1)[NH2+]CC[*:1]
CCNC(=O)CC[NH2+][C@H](C)Cn1cccn1 c1cnn(c1)[*:1] CCNC(=O)CC[NH2+][C@H](C)C[*:1]
O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CNC(=O)c1cc(F)cc(F)c1)N[*:1]
O=C([C@@H]1Cc2ccccc2O1)N(Cc1ccccc1)c1nnc(SC(F)F)s1 FC(F)S[*:1] O=C([C@@H]1Cc2ccccc2O1)N(Cc1ccccc1)c1nnc(s1)[*:1]
O=C([C@@H]1Cc2ccccc2O1)N(Cc1ccccc1)c1nnc(SC(F)F)s1 c1ccc(cc1)[*:1] O=C([C@@H]1Cc2ccccc2O1)N(C[*:1])c1nnc(SC(F)F)s1
O=C([C@@H]1Cc2ccccc2O1)N(Cc1ccccc1)c1nnc(SC(F)F)s1 FC(F)[*:1] O=C([C@@H]1Cc2ccccc2O1)N(Cc1ccccc1)c1nnc(S[*:1])s1
O=C([C@@H]1Cc2ccccc2O1)N(Cc1ccccc1)c1nnc(SC(F)F)s1 c1ccc(cc1)C[*:1] O=C([C@@H]1Cc2ccccc2O1)N(c1nnc(SC(F)F)s1)[*:1]
C/C(=C/c1ccc(F)cc1)C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] C/C(=C/c1ccc(F)cc1)C(=O)N1C[C@H](O)C[C@@H]1[*:1]
C/C(=C/c1ccc(F)cc1)C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F Fc1ccc(cc1)[*:1] CC(=C[*:1])C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F
COc1ccccc1CNC(=O)c1ccc2c(c1)nnn2C1CCCC1 COc1ccccc1[*:1] O=C(NC[*:1])c1ccc2c(c1)nnn2C1CCCC1
COc1ccccc1CNC(=O)c1ccc2c(c1)nnn2C1CCCC1 C1CCC(C1)[*:1] COc1ccccc1CNC(=O)c1ccc2c(c1)nnn2[*:1]
C[C@H](Sc1cccc(Br)c1)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@H](Sc1cccc(Br)c1)C(=O)N[*:1]
C[C@H](Sc1cccc(Br)c1)C(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@H](Sc1cccc(Br)c1)C(=O)NC[*:1]
C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1nc2ccccc2n1[*:1]
COc1ccc2c(c1)CN(C(=O)c1ccc(OCC(F)F)nc1)CC2 FC(F)CO[*:1] COc1ccc2CCN(Cc2c1)C(=O)c1ccc(nc1)[*:1]
COc1ccc2c(c1)CN(C(=O)c1ccc(OCC(F)F)nc1)CC2 FC(F)[*:1] COc1ccc2CCN(Cc2c1)C(=O)c1ccc(nc1)OC[*:1]
COc1ccc2c(c1)CN(C(=O)c1ccc(OCC(F)F)nc1)CC2 FC(F)C[*:1] COc1ccc2CCN(Cc2c1)C(=O)c1ccc(nc1)O[*:1]
CC#CC[NH+]1CCC(OCc2ccc(F)cc2)CC1 CC#C[*:1] Fc1ccc(cc1)COC1CC[NH+](CC1)C[*:1]
CCc1nn(C)c(CC)c1C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 Cc1ccc(s1)[*:1] CCc1nn(C)c(CC)c1C[NH+]1CCC(CC1)NC(=O)[*:1]
Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1nn(cc1C(=O)N[*:1])-c1ccc(cc1)-c1noc(n1)C1CCC1
Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc2c(c1)OCO2 C1CC(C1)c1nc(no1)[*:1] Cc1nn(cc1C(=O)Nc1ccc2OCOc2c1)-c1ccc(cc1)[*:1]
Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc2c(c1)OCO2 C1CC(C1)[*:1] Cc1nn(cc1C(=O)Nc1ccc2OCOc2c1)-c1ccc(cc1)-c1noc(n1)[*:1]
C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 O=C1CC[C@@H](N1)[*:1] C[C@@H](c1ccccc1F)N1CCN(CC1)C(=O)[*:1]
C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 Fc1ccccc1[*:1] C[C@@H](N1CCN(CC1)C(=O)[C@H]1CCC(=O)N1)[*:1]
CNC(=O)COC(=O)c1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 CNC(=O)COC(=O)c1cccc(c1)[*:1]
CNC(=O)COC(=O)c1cccc(NC(=O)C2CC2)c1 CNC(=O)C[*:1] O=C(O[*:1])c1cccc(c1)NC(=O)C1CC1
CNC(=O)COC(=O)c1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] CNC(=O)COC(=O)c1cccc(c1)NC(=O)[*:1]
CNC(=O)COC(=O)c1cccc(NC(=O)C2CC2)c1 CNC(=O)[*:1] O=C(OC[*:1])c1cccc(c1)NC(=O)C1CC1
Cc1ncn(CC(C)(C)C(=O)NN)c(=O)c1Br NNC(=O)[*:1] Cc1ncn(CC(C)(C)[*:1])c(=O)c1Br
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)N[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[*:1])SCc1ccccc1
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[C@H](C)c1ccccc1)SC[*:1]
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[C@H](C)[*:1])SCc1ccccc1
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)C[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[C@H](C)c1ccccc1)S[*:1]
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)CS[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[C@H](C)c1ccccc1)[*:1]
COc1cccc(C(=O)Nc2cc(CN3CCOCC3)ccc2C)c1F C1CN(CCO1)C[*:1] COc1cccc(C(=O)Nc2cc(ccc2C)[*:1])c1F
COc1cccc(C(=O)Nc2cc(CN3CCOCC3)ccc2C)c1F C1CN(CCO1)[*:1] COc1cccc(C(=O)Nc2cc(ccc2C)C[*:1])c1F
COCc1nc(C)cc(SC(=S)N2CCCC2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])SC(=S)N1CCCC1
CNC(=O)[C@@H](C)CN(C)C(=O)c1sccc1Br CNC(=O)[*:1] C[C@@H](CN(C)C(=O)c1sccc1Br)[*:1]
C[NH+]1CCC(CCO)(NC(=O)Nc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[NH+]1CCC(CCO)(CC1)NC(=O)N[*:1]
C[NH+]1CCC(CCO)(NC(=O)Nc2ccc(Cl)cc2)CC1 OCC[*:1] C[NH+]1CCC(CC1)(NC(=O)Nc1ccc(Cl)cc1)[*:1]
C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] C[NH+]1CCN(CC1)c1ccccc1NC(=S)NC(=O)[*:1]
C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)c1ccccc1NC(=S)NC(=O)c1ccccc1[*:1]
CS(=O)(=O)N[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 C1CO[C@H](C1)[*:1] CS(=O)(=O)N[C@@H]1CCCN(C1)C(=O)CC[*:1]
CS(=O)(=O)N[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 C1CO[C@H](C1)C[*:1] CS(=O)(=O)N[C@@H]1CCCN(C1)C(=O)C[*:1]
CS(=O)(=O)N[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 CS(=O)(=O)N[*:1] O=C(CC[C@H]1CCCO1)N1CCC[C@H](C1)[*:1]
CC(=O)[C@@H](C)n1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21 CC(=O)[*:1] C[C@@H](n1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21)[*:1]
CC(=O)[C@@H](C)n1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CC(=O)[C@@H](C)n1c(CNC(=O)C=C[*:1])nc2ccccc21
CC(=O)[C@@H](C)n1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21 C(=C[*:1])c1ccccc1 CC(=O)[C@@H](C)n1c(CNC(=O)[*:1])nc2ccccc21
CCc1nn(C)cc1NC(=O)CNC(=O)OC COC(=O)N[*:1] CCc1nn(C)cc1NC(=O)C[*:1]
O=C(Nc1ccc(F)cc1Br)N1CC[NH+](CCc2ccccc2)CC1 Fc1ccc(c(Br)c1)[*:1] O=C(N[*:1])N1CC[NH+](CCc2ccccc2)CC1
O=C(Nc1ccc(F)cc1Br)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1Br)N1CC[NH+](CC1)CC[*:1]
O=C(Nc1ccc(F)cc1Br)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(Nc1ccc(F)cc1Br)N1CC[NH+](CC1)[*:1]
O=C(Nc1ccc(F)cc1Br)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(F)cc1Br)N1CC[NH+](CC1)C[*:1]
Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 Cc1ccc(cc1)[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1CN(Cc1cccs1)C(=S)N[*:1]
Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)NC(=S)N(Cc1cc2cc3OCCOc3cc2[nH]c1=O)C[*:1]
Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)NC(=S)N(Cc1cc2cc3OCCOc3cc2[nH]c1=O)[*:1]
CCN(c1ccccc1C)[C@H]1CC[C@@](C#N)(NC2CC2)C1 C1CC1N[*:1] CCN(c1ccccc1C)[C@H]1CC[C@@](C#N)(C1)[*:1]
CCN(c1ccccc1C)[C@H]1CC[C@@](C#N)(NC2CC2)C1 C1CC1[*:1] CCN(c1ccccc1C)[C@H]1CC[C@](C#N)(C1)N[*:1]
CCN(c1ccccc1C)[C@H]1CC[C@@](C#N)(NC2CC2)C1 Cc1ccccc1[*:1] CCN([C@H]1CC[C@](C#N)(C1)NC1CC1)[*:1]
O=C(Cc1noc(-c2ccc(F)cc2)n1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cc1noc(n1)-c1ccc(F)cc1)N[*:1]
O=C(Cc1noc(-c2ccc(F)cc2)n1)Nc1cccc(Cl)c1 Fc1ccc(cc1)[*:1] O=C(Cc1noc(n1)[*:1])Nc1cccc(Cl)c1
O=C(NCCc1ccco1)c1ccc(NC(=O)c2cccs2)cc1 O=C(N[*:1])c1cccs1 O=C(NCCc1ccco1)c1ccc(cc1)[*:1]
O=C(NCCc1ccco1)c1ccc(NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] O=C(NCCc1ccco1)c1ccc(cc1)NC(=O)[*:1]
O=C(NCCc1ccco1)c1ccc(NC(=O)c2cccs2)cc1 c1coc(c1)CC[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1cccs1
O=C(NCCc1ccco1)c1ccc(NC(=O)c2cccs2)cc1 c1coc(c1)C[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)c1cccs1
O=C(NCCc1ccco1)c1ccc(NC(=O)c2cccs2)cc1 c1coc(c1)[*:1] O=C(NCC[*:1])c1ccc(cc1)NC(=O)c1cccs1
Cc1ccccc1-n1nc(Cl)c(C(=O)[O-])n1 O=C([O-])[*:1] Cc1ccccc1-n1nc(Cl)c(n1)[*:1]
CC[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(CC(C)C)cc2)C1 CC(C)[*:1] CC[C@@H]1CCCN(C1)[C@@H](C[NH3+])c1ccc(cc1)C[*:1]
CC[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(CC(C)C)cc2)C1 CC(C)C[*:1] CC[C@@H]1CCCN(C1)[C@@H](C[NH3+])c1ccc(cc1)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 c1cc2OCOc2cc1[*:1] C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCc1cccnc1-n1cccn1)C1CCC1 c1cnn(c1)[*:1] O=C(NCc1cccnc1[*:1])C1CCC1
O=C(NCc1cccnc1-n1cccn1)C1CCC1 C1CC(C1)[*:1] O=C(NCc1cccnc1-n1cccn1)[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1ccc(Cl)cc1Cl c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])c1ccc(Cl)cc1Cl
CCc1cnc(CN(C)C(=O)N[C@@H](CC)COC)s1 COC[*:1] CCc1cnc(CN(C)C(=O)N[C@@H](CC)[*:1])s1
CCc1cnc(CN(C)C(=O)N[C@@H](CC)COC)s1 CC[C@@H](COC)[*:1] CCc1cnc(CN(C)C(=O)N[*:1])s1
C[C@H](Sc1nnc(N)s1)c1nc(C2CC2)no1 C1CC1[*:1] C[C@H](Sc1nnc(N)s1)c1nc(no1)[*:1]
CCCc1n[nH]c2c1[C@@H](c1ccc(SC)cc1)C(C#N)=C(N)O2 CCC[*:1] CSc1ccc(cc1)[C@H]1C(C#N)=C(N)Oc2[nH]nc(c21)[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1ccc2OCCOc2c1
CN1/C(=C(/C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)Sc2ccccc21 Clc1ccc(cc1)[*:1] CN1/C(Sc2ccccc21)=C(/C#N)C(=O)CSc1nnc(o1)[*:1]
Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] Cc1cccc(c1)NS(=O)(=O)c1ccc(Br)c(c1)[*:1]
Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1 Cc1cccc(c1)[*:1] O=C([O-])c1cc(ccc1Br)S(=O)(=O)N[*:1]
C[NH+](C)CCNC(=O)c1cc2ccccc2cc1OC(F)F FC(F)[*:1] C[NH+](C)CCNC(=O)c1cc2ccccc2cc1O[*:1]
C[NH+](C)CCNC(=O)c1cc2ccccc2cc1OC(F)F FC(F)O[*:1] C[NH+](C)CCNC(=O)c1cc2ccccc2cc1[*:1]
O=C(NCCN1CCOCC1)NCC1(Sc2ccccc2)CC1 C1CN(CCO1)C[*:1] O=C(NCC1(CC1)Sc1ccccc1)NC[*:1]
O=C(NCCN1CCOCC1)NCC1(Sc2ccccc2)CC1 c1ccc(cc1)S[*:1] O=C(NCCN1CCOCC1)NCC1(CC1)[*:1]
O=C(NCCN1CCOCC1)NCC1(Sc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)NCC1(CC1)S[*:1]
O=C(NCCN1CCOCC1)NCC1(Sc2ccccc2)CC1 C1CN(CCO1)[*:1] O=C(NCC[*:1])NCC1(CC1)Sc1ccccc1
Cc1noc([C@@H](C)NC(=O)Cc2nn(C)c(=O)c3ccccc23)n1 Cc1noc(n1)[*:1] C[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)[*:1]
CCOC(=O)c1csc(CNC(=O)c2ccc(F)c(F)c2F)n1 CCOC(=O)[*:1] O=C(NCc1nc(cs1)[*:1])c1ccc(F)c(F)c1F
CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O CCCNC(=O)[*:1] CC(C)(C)c1ccc(cc1)[C@]1(C)NC(=O)N(C[*:1])C1=O
CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O CCCNC(=O)C[*:1] CC(C)(C)c1ccc(cc1)[C@]1(C)NC(=O)N(C1=O)[*:1]
CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O CCC[*:1] CC(C)(C)c1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O CC(C)(C)[*:1] CCCNC(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)[*:1]
Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCOCC2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1ccc(Br)o1
Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@H](CNC(=O)c1ccc(Br)o1)[*:1]
Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCOCC2)o1 Brc1ccc(o1)[*:1] Cc1ccc(o1)[C@H](CNC(=O)[*:1])N1CCOCC1
CC[NH+]1CCN([C@H]2CCC[C@](C#N)(NC(C)C)C2)CC1 CC(C)N[*:1] CC[NH+]1CCN(CC1)[C@H]1CCC[C@](C#N)(C1)[*:1]
CC[NH+]1CCN([C@H]2CCC[C@](C#N)(NC(C)C)C2)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)[C@H]1CCC[C@@](C#N)(C1)N[*:1]
CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2cccc[n+]2[O-])c1 CC(=O)N[*:1] C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2cccc[n+]2[O-])c1 [O-][n+]1ccccc1[*:1] CC(=O)Nc1cccc(c1)NC(=O)[C@H](C)S[*:1]
CCN(C1CC1)S(=O)(=O)c1cc(N)c(C)c(Cl)c1 C1CC1[*:1] CCN(S(=O)(=O)c1cc(N)c(C)c(Cl)c1)[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(Br)cc1)CC2)c1cnccn1 Brc1ccc(cc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1])c1cnccn1
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(Br)cc1)CC2)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)c1ccc(Br)cc1)[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(Br)cc1)CC2)c1cnccn1 O=C(N[*:1])c1cnccn1 O=S(=O)(c1ccc(Br)cc1)N1CCc2nc(sc2C1)[*:1]
Cc1cccc(CNC(=O)[C@@H]2CCCN(c3nc4ncccc4n4cccc34)C2)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nc2ncccc2n2cccc12
Cc1cccc(CNC(=O)[C@@H]2CCCN(c3nc4ncccc4n4cccc34)C2)c1 Cc1cccc(c1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nc2ncccc2n2cccc12
O=C(c1cccc(C(F)(F)F)c1)N1CCN(CCn2cc[nH+]c2)CC1 FC(F)(F)[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)CCn1cc[nH+]c1
O=C(NCCC(=O)N1CCCCC1)[C@H]1C[C@@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(NCCC(=O)N1CCCCC1)[C@H]1C[C@H]1[*:1]
C=CCCOCC[C@H]1CCCC1=O C=CCC[*:1] O=C1CCC[C@@H]1CCO[*:1]
C=CCCOCC[C@H]1CCCC1=O C=CC[*:1] O=C1CCC[C@@H]1CCOC[*:1]
CC(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1
CC(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)cc1C c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[C@@H]1CCO[C@H]1[*:1]
C[C@@H](CNC(=O)Nc1nncs1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)Nc1nncs1)[*:1]
C[C@@H](CNC(=O)Nc1nncs1)N1CCOCC1 c1nnc(s1)[*:1] C[C@@H](CNC(=O)N[*:1])N1CCOCC1
C[C@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] C[C@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)N1CCN(CC1)[*:1]
C[C@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)N1CCN(c2nccs2)CC1 c1ccc(cc1)[*:1] C[C@H](SCc1nc2scc(c2c(=O)[nH]1)[*:1])C(=O)N1CCN(CC1)c1nccs1
C[C@@H](c1ccccc1)c1[nH+]ccn1CCCc1nnn[n-]1 c1ccc(cc1)[*:1] C[C@@H](c1[nH+]ccn1CCCc1nnn[n-]1)[*:1]
COC(=O)c1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(Cn1cccc(-c2nc(no2)-c2ccc(Cl)cc2)c1=O)N[*:1]
COC(=O)c1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)cc1 Clc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)Cn1cccc(-c2nc(no2)[*:1])c1=O
COC(=O)c1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)cc1 COC(=O)[*:1] O=C(Cn1cccc(-c2nc(no2)-c2ccc(Cl)cc2)c1=O)Nc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc2c(c1)CCCN2Cn1ccc(C(F)(F)F)n1 CS(=O)(=O)[*:1] FC(F)(F)c1ccn(CN2CCCc3cc(ccc32)[*:1])n1
CS(=O)(=O)c1ccc2c(c1)CCCN2Cn1ccc(C(F)(F)F)n1 FC(F)(F)[*:1] CS(=O)(=O)c1ccc2c(c1)CCCN2Cn1ccc(n1)[*:1]
COc1ccc2c(CC(=O)N3CCC[C@H]3c3ccc(F)cc3)cc(=O)oc2c1 Fc1ccc(cc1)[*:1] COc1ccc2c(cc(=O)oc2c1)CC(=O)N1CCC[C@@H]1[*:1]
O=C(C[C@@H](O)c1cccc(F)c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 Fc1cccc(c1)[*:1] O=C(C[C@@H](O)[*:1])N1CCO[C@H](C1)[C@@H]1CCCO1
O=C(C[C@@H](O)c1cccc(F)c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] O=C(C[C@@H](O)c1cccc(F)c1)N1CCO[C@@H](C1)[*:1]
CS(=O)(=O)[N-]c1ccc(C(=O)/C=C/c2csc(-c3ccco3)n2)cc1 c1coc(c1)[*:1] CS(=O)(=O)[N-]c1ccc(cc1)C(=O)/C=C/c1csc(n1)[*:1]
Cc1ccc([C@H](CNC(=O)c2cnc3[nH]nc(C)c3c2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] Cc1n[nH]c2ncc(cc12)C(=O)NC[C@H](N1CCOCC1)[*:1]
Cc1ccc([C@H](CNC(=O)c2cnc3[nH]nc(C)c3c2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)c1cnc2[nH]nc(C)c2c1)[*:1]
COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2Br)cc1 Brc1ccccc1[*:1] COc1ccc(cc1)-c1n[nH]c(=S)n1N=C[*:1]
C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@H](CCc1ccc(O)cc1)NC(=O)N[*:1]
C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccccc1F Oc1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)Nc1ccccc1F
CC[C@@H]1CCCCN1C(=O)CNc1ccccc1C(=O)NC(C)C CC(C)[*:1] CC[C@@H]1CCCCN1C(=O)CNc1ccccc1C(=O)N[*:1]
CC[C@@H]1CCCCN1C(=O)CNc1ccccc1C(=O)NC(C)C CC(C)NC(=O)[*:1] CC[C@@H]1CCCCN1C(=O)CNc1ccccc1[*:1]
CC(C)C[C@H](C)N(C)C(=O)Nc1ccccc1CC(N)=O NC(=O)C[*:1] CC(C)C[C@H](C)N(C)C(=O)Nc1ccccc1[*:1]
CC(C)C[C@H](C)N(C)C(=O)Nc1ccccc1CC(N)=O NC(=O)[*:1] CC(C)C[C@H](C)N(C)C(=O)Nc1ccccc1C[*:1]
CC(C)C[C@H](C)N(C)C(=O)Nc1ccccc1CC(N)=O CC(C)[*:1] C[C@@H](C[*:1])N(C)C(=O)Nc1ccccc1CC(N)=O
CC(C)C[C@H](C)N(C)C(=O)Nc1ccccc1CC(N)=O CC(C)C[*:1] C[C@H](N(C)C(=O)Nc1ccccc1CC(N)=O)[*:1]
CC(C)C[C@H](C)N(C)C(=O)Nc1ccccc1CC(N)=O CC(C)C[C@H](C)[*:1] CN(C(=O)Nc1ccccc1CC(N)=O)[*:1]
CC[C@@H](Oc1cccc(N)c1)C(=O)c1cc(OC)c(Cl)cc1OC Nc1cccc(c1)O[*:1] CC[C@@H](C(=O)c1cc(OC)c(Cl)cc1OC)[*:1]
CC[C@@H](Oc1cccc(N)c1)C(=O)c1cc(OC)c(Cl)cc1OC Nc1cccc(c1)[*:1] CC[C@@H](O[*:1])C(=O)c1cc(OC)c(Cl)cc1OC
CCn1nccc1[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 FC(F)(F)[*:1] CCn1nccc1[C@@H](C)[NH2+]Cc1cc(n[nH]1)[*:1]
CC(C)c1nc(CCNC(=O)N[C@@H](CO)c2ccco2)cs1 c1coc(c1)[*:1] CC(C)c1nc(cs1)CCNC(=O)N[C@@H](CO)[*:1]
CC(C)c1nc(CCNC(=O)N[C@@H](CO)c2ccco2)cs1 CC(C)[*:1] O=C(NCCc1csc(n1)[*:1])N[C@@H](CO)c1ccco1
COC[C@](C)(C#N)NS(=O)(=O)c1ccc(CC(C)C)cc1 COC[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)N[C@](C)(C#N)[*:1]
COC[C@](C)(C#N)NS(=O)(=O)c1ccc(CC(C)C)cc1 CC(C)C[*:1] COC[C@](C)(C#N)NS(=O)(=O)c1ccc(cc1)[*:1]
COC[C@](C)(C#N)NS(=O)(=O)c1ccc(CC(C)C)cc1 CC(C)[*:1] COC[C@](C)(C#N)NS(=O)(=O)c1ccc(cc1)C[*:1]
COc1cccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)c1ccc(S[*:1])c(c1)NC(C)=O
COc1cccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)c1 COc1cccc(c1)C[*:1] CC(=O)Nc1cc(ccc1Sc1ccc(C)cc1)C(=O)N[*:1]
COc1cccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)c1 CC(=O)N[*:1] COc1cccc(c1)CNC(=O)c1ccc(Sc2ccc(C)cc2)c(c1)[*:1]
COc1cccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)c1 Cc1ccc(cc1)S[*:1] COc1cccc(c1)CNC(=O)c1ccc(c(c1)NC(C)=O)[*:1]
COc1cccc(CNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)c1 COc1cccc(c1)[*:1] CC(=O)Nc1cc(ccc1Sc1ccc(C)cc1)C(=O)NC[*:1]
O=C(NCc1cccc(Cn2ccnc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 c1cn(cn1)C[*:1] O=C(NCc1cccc(c1)[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
O=C(NCc1cccc(Cn2ccnc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 c1cn(cn1)[*:1] O=C(NCc1cccc(c1)C[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
O=C(NCc1cccc(Cn2ccnc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NCc1cccc(c1)Cn1ccnc1)C(=O)N[*:1]
O=C(NCc1cccc(Cn2ccnc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCc1cccc(c1)Cn1ccnc1)C(=O)Nc1cccc(c1)[*:1]
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cn(-c2ccccc2Br)nn1 Brc1ccccc1[*:1] O=C(NNC(=O)c1c[nH]c2ccccc12)c1cn(nn1)[*:1]
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cn(-c2ccccc2Br)nn1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NNC(=O)[*:1])c1cn(nn1)-c1ccccc1Br
O=C(Nc1ccc2c(c1)nc1n2CC[NH+](CCc2ccccc2)C1)c1ccco1 O=C(N[*:1])c1ccco1 c1ccc(cc1)CC[NH+]1CCn2c(C1)nc1cc(ccc12)[*:1]
O=C(Nc1ccc2c(c1)nc1n2CC[NH+](CCc2ccccc2)C1)c1ccco1 c1ccc(cc1)CC[*:1] O=C(Nc1ccc2c(c1)nc1C[NH+](CCn12)[*:1])c1ccco1
O=C(Nc1ccc2c(c1)nc1n2CC[NH+](CCc2ccccc2)C1)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1ccc2c(c1)nc1C[NH+](CCn12)CC[*:1])c1ccco1
O=C(Nc1ccc2c(c1)nc1n2CC[NH+](CCc2ccccc2)C1)c1ccco1 c1ccc(cc1)C[*:1] O=C(Nc1ccc2c(c1)nc1C[NH+](CCn12)C[*:1])c1ccco1
O=C(Nc1ccc2c(c1)nc1n2CC[NH+](CCc2ccccc2)C1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc2c(c1)nc1C[NH+](CCc3ccccc3)CCn12)[*:1]
CNC(=O)NCC(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1 CNC(=O)NC[*:1] COc1ccc(cc1F)CN1CCN(CC1)C(=O)[*:1]
CNC(=O)NCC(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1 CNC(=O)N[*:1] COc1ccc(cc1F)CN1CCN(CC1)C(=O)C[*:1]
CC(C)OCCC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)OCC[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)[*:1]
CC(C)OCCC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)OC[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)C[*:1]
CC(C)OCCC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] CC(C)OCCC(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(C)OCCC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)O[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)CC[*:1]
CC(C)OCCC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)(C)NC(=O)[*:1] CC(C)OCCC(=O)Nc1cccc(c1)[*:1]
CC(C)OCCC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)CCO[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1COCc1ccc(Cl)nn1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H]1COCc1ccc(Cl)nn1
CC(C)(C)OC(=O)N1CCC[C@H]1COCc1ccc(Cl)nn1 Clc1ccc(nn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1COC[*:1]
Cc1cc(C(=O)N2CC[NH+](CCC(C)C)CC2)c2c(=O)[nH]n(C)c2n1 CC(C)CC[*:1] Cc1cc(C(=O)N2CC[NH+](CC2)[*:1])c2c(=O)[nH]n(C)c2n1
Cc1cc(C(=O)N2CC[NH+](CCC(C)C)CC2)c2c(=O)[nH]n(C)c2n1 CC(C)[*:1] Cc1cc(C(=O)N2CC[NH+](CC2)CC[*:1])c2c(=O)[nH]n(C)c2n1
Cc1cc(C(=O)N2CC[NH+](CCC(C)C)CC2)c2c(=O)[nH]n(C)c2n1 CC(C)C[*:1] Cc1cc(C(=O)N2CC[NH+](CC2)C[*:1])c2c(=O)[nH]n(C)c2n1
O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(Nc1cc(ccc1F)[*:1])C1CCCCC1
O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cccs1 C1CCC(CC1)[*:1] O=C(Nc1ccc(F)c(c1)NC(=O)[*:1])c1cccs1
O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cccs1 c1csc(c1)[*:1] O=C(Nc1cc(ccc1F)NC(=O)[*:1])C1CCCCC1
Nc1c(Cl)cc(Cl)cc1C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] Nc1c(Cl)cc(Cl)cc1C(=O)OCc1cccc(c1)[*:1]
Nc1c(Cl)cc(Cl)cc1C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 Nc1c(Cl)cc(Cl)cc1[*:1] O=C(OCc1cccc(c1)S(=O)(=O)N1CCOCC1)[*:1]
CCCNC(=O)NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 CCC[*:1] N#Cc1ccc(cc1)-c1ccc(cc1)OCC(=O)NC(=O)N[*:1]
CCCNC(=O)NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CCCNC(=O)NC(=O)COc1ccc(cc1)[*:1]
CC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCCSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 CCCS[*:1] O=C(NCc1ccc2OCOc2c1)c1ccccc1[*:1]
CCCSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 CCC[*:1] O=C(NCc1ccc2OCOc2c1)c1ccccc1S[*:1]
CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(Br)c(F)c1 CC(C)[C@@H](CO)[*:1] O=C(Nc1ccc(Br)c(F)c1)C(=O)N[*:1]
CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(Br)c(F)c1 CC(C)[*:1] O=C(Nc1ccc(Br)c(F)c1)C(=O)N[C@H](CO)[*:1]
Cc1ccc(OC/C([O-])=N/S(=O)(=O)c2ccc(C#N)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])CO[*:1]
Cc1ccc(OC/C([O-])=N/S(=O)(=O)c2ccc(C#N)cc2)c(C)c1 N#Cc1ccc(cc1)[*:1] Cc1ccc(OC/C([O-])=N/S(=O)(=O)[*:1])c(C)c1
C[C@]1(c2cnccn2)C[NH+]=C(N)N1C[C@H]1CCCO1 c1cnc(cn1)[*:1] C[C@@]1(C[NH+]=C(N)N1C[C@H]1CCCO1)[*:1]
C[C@]1(c2cnccn2)C[NH+]=C(N)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@]1(C[NH+]=C(N)N1C[*:1])c1cnccn1
C[C@]1(c2cnccn2)C[NH+]=C(N)N1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C[C@@]1(C[NH+]=C(N)N1[*:1])c1cnccn1
CCNC(=O)N1CC[C@@H]([NH2+][C@H](Cc2ccccc2)c2sccc2C)C1 c1ccc(cc1)C[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@H](c1sccc1C)[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@H](Cc2ccccc2)c2sccc2C)C1 c1ccc(cc1)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@H](C[*:1])c1sccc1C
CCNC(=O)N1CC[C@@H]([NH2+][C@H](Cc2ccccc2)c2sccc2C)C1 Cc1ccsc1[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@H](Cc1ccccc1)[*:1]
Cc1cccc(N2CC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2=O)c1C c1cc2OCOc2cc1[*:1] Cc1cccc(c1C)N1CC[C@H](C(=O)NC[*:1])C1=O
Cc1cccc(N2CC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2=O)c1C Cc1cccc(c1C)[*:1] O=C(NCc1ccc2OCOc2c1)[C@H]1CCN(C1=O)[*:1]
Cc1cccc(C(=O)NC2CCN(C(=S)Nc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NC1CCN(CC1)C(=S)N[*:1]
Cc1cccc(C(=O)NC2CCN(C(=S)Nc3ccc(F)cc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NC1CCN(CC1)C(=S)Nc1ccc(F)cc1)[*:1]
O=CC1=C(C2(C(F)(F)F)OCCO2)[C@H]2CCC[C@@H]12 FC(F)(F)[*:1] O=CC1=C([C@H]2CCC[C@@H]12)C1(OCCO1)[*:1]
O=C1C[C@@H](N2CCN(c3cccc[nH+]3)CC2)C(=O)N1c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C1C[C@H](C(=O)N1[*:1])N1CCN(CC1)c1cccc[nH+]1
CCc1nc(-c2ccc(N3CCN(C(=O)C4CCCC4)CC3)[nH+]c2)no1 CCc1nc(no1)[*:1] O=C(C1CCCC1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)C4CCCC4)CC3)[nH+]c2)no1 C1CCC(C1)[*:1] CCc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCOC[C@@H]1C1CC1 CC(=O)N[*:1] C[C@H](C(=O)N1CCOC[C@@H]1C1CC1)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] CC(=O)N[C@H](C)C(=O)N1CCOC[C@H]1[*:1]
COC[C@@H](C)NS(=O)(=O)c1c(C)noc1C COC[C@@H](C)[*:1] Cc1noc(C)c1S(=O)(=O)N[*:1]
COC[C@@H](C)NS(=O)(=O)c1c(C)noc1C COC[*:1] Cc1noc(C)c1S(=O)(=O)N[C@H](C)[*:1]
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)cc1 N#Cc1cnn(c1N)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)[N-]c1ccccc1[*:1]
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)cc1 CC(=O)c1ccc(cc1)[*:1] N#Cc1cnn(-c2ccccc2[N-]S(=O)(=O)[*:1])c1N
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)cc1 CC(=O)[*:1] N#Cc1cnn(-c2ccccc2[N-]S(=O)(=O)c2ccc(cc2)[*:1])c1N
CC(=O)c1cccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N(Cc1ccco1)C[C@H]1CCCO1
CC(=O)c1cccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1 c1coc(c1)C[*:1] CC(=O)c1cccc(c1)NC(=O)N(C[C@H]1CCCO1)[*:1]
CC(=O)c1cccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1 c1coc(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)N(C[C@H]1CCCO1)C[*:1]
CC(=O)c1cccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] CC(=O)c1cccc(c1)NC(=O)N(Cc1ccco1)[*:1]
CS(=O)(=O)C[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)C[C@@H](NC(=O)NC[C@H]1CC=CCC1)[*:1]
CS(=O)(=O)C[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1ccccc1 CS(=O)(=O)C[*:1] O=C(NC[C@H]1CC=CCC1)N[C@@H](c1ccccc1)[*:1]
CS(=O)(=O)C[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1ccccc1 CS(=O)(=O)[*:1] O=C(NC[C@H]1CC=CCC1)N[C@H](C[*:1])c1ccccc1
Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3cnccn3)ccc1O2 O=C(N[*:1])c1cnccn1 Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)[*:1]
Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3cnccn3)ccc1O2 c1cnc(cn1)[*:1] Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)NC(=O)[*:1]
COc1ccc([C@@H](NC(=O)N2CCc3ccc(C)cc32)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N1CCc2ccc(C)cc21)[*:1]
COc1ccc([C@@H](NC(=O)N2CCc3ccc(C)cc32)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc2CCN(C(=O)N[C@@H](C3CCOCC3)[*:1])c2c1
C[C@H](Nc1cc(C(=O)NC2CC2)c2ccccc2n1)c1ccccn1 C1CC1[*:1] C[C@H](Nc1cc(C(=O)N[*:1])c2ccccc2n1)c1ccccn1
C[C@H](Nc1cc(C(=O)NC2CC2)c2ccccc2n1)c1ccccn1 O=C(NC1CC1)[*:1] C[C@H](Nc1cc(c2ccccc2n1)[*:1])c1ccccn1
C[C@H](Nc1cc(C(=O)NC2CC2)c2ccccc2n1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](Nc1cc(C(=O)NC2CC2)c2ccccc2n1)[*:1]
CCN(CCC#N)C(=O)CNc1cc(CO)ccc1Cl N#CCC[*:1] CCN(C(=O)CNc1cc(ccc1Cl)CO)[*:1]
CCN(CCC#N)C(=O)CNc1cc(CO)ccc1Cl N#CC[*:1] CCN(C[*:1])C(=O)CNc1cc(ccc1Cl)CO
C[C@H](C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)n1cncn1 C1CO[C@@H](C1)C[*:1] C[C@H](C(=O)Nc1cccc(c1)O[*:1])n1cncn1
C[C@H](C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)Nc1cccc(c1)OC[C@@H]1CCCO1)[*:1]
C[C@H](C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)n1cncn1 C1CO[C@@H](C1)CO[*:1] C[C@H](C(=O)Nc1cccc(c1)[*:1])n1cncn1
C[C@H](C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)n1cncn1 C[C@H](n1cncn1)[*:1] O=C(Nc1cccc(c1)OC[C@@H]1CCCO1)[*:1]
C[C@H](C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)n1cncn1 C1CO[C@@H](C1)[*:1] C[C@H](C(=O)Nc1cccc(c1)OC[*:1])n1cncn1
CC(C)[NH2+]CCCc1cccc(OC(C)C)c1 CC(C)O[*:1] CC(C)[NH2+]CCCc1cccc(c1)[*:1]
CC(C)[NH2+]CCCc1cccc(OC(C)C)c1 CC(C)[*:1] CC(C)[NH2+]CCCc1cccc(c1)O[*:1]
CC(C)[NH2+]CCCc1cccc(OC(C)C)c1 CC(C)[*:1] CC(C)Oc1cccc(c1)CCC[NH2+][*:1]
CN1C(=O)C[C@@H](Nc2ccc(OC(F)F)cn2)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](Nc2ccc(cn2)OC(F)F)[C@H]1[*:1]
CN1C(=O)C[C@@H](Nc2ccc(OC(F)F)cn2)[C@@H]1c1ccc(F)cc1 FC(F)[*:1] CN1C(=O)C[C@@H](Nc2ccc(cn2)O[*:1])[C@@H]1c1ccc(F)cc1
CN1C(=O)C[C@@H](Nc2ccc(OC(F)F)cn2)[C@@H]1c1ccc(F)cc1 FC(F)O[*:1] CN1C(=O)C[C@@H](Nc2ccc(cn2)[*:1])[C@@H]1c1ccc(F)cc1
Cc1c(Cl)cccc1-n1ccc2nc(N3CCCCC3)ncc2c1=O Cc1c(Cl)cccc1[*:1] O=c1c2cnc(nc2ccn1[*:1])N1CCCCC1
Cc1c(Cl)cccc1-n1ccc2nc(N3CCCCC3)ncc2c1=O C1CCN(CC1)[*:1] Cc1c(Cl)cccc1-n1ccc2nc(ncc2c1=O)[*:1]
N#C[C@@H]1C[C@H]2C(=O)c3ccccc3[C@@H]1N2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#C[C@@H]1C[C@H]2C(=O)c3ccccc3[C@@H]1N2c1ccc(cc1[*:1])[N+](=O)[O-]
N#C[C@@H]1C[C@H]2C(=O)c3ccccc3[C@@H]1N2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#C[C@@H]1C[C@H]2C(=O)c3ccccc3[C@@H]1N2c1ccc(cc1[N+](=O)[O-])[*:1]
COc1ccccc1C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1C(=O)NCC(=O)N1CCC(CC1)C[*:1]
COc1ccccc1C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccccc1C(=O)NCC(=O)N1CCC(CC1)[*:1]
COc1ccccc1C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 COc1ccccc1[*:1] O=C(CNC(=O)[*:1])N1CCC(CC1)Cc1ccccc1
O=C(NCc1cccs1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 c1csc(c1)C[*:1] O=C(N[*:1])N1CCC[C@@H](C1)c1nnc(o1)C(F)(F)F
O=C(NCc1cccs1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 c1csc(c1)[*:1] O=C(NC[*:1])N1CCC[C@@H](C1)c1nnc(o1)C(F)(F)F
O=C(NCc1cccs1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 FC(F)(F)[*:1] O=C(NCc1cccs1)N1CCC[C@@H](C1)c1nnc(o1)[*:1]
Cc1ccccc1CC(C)(C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 Cc1ccccc1C[*:1] CC(C)(NS(=O)(=O)Cc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccccc1CC(C)(C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 Cc1ccccc1[*:1] CC(C)(C[*:1])NS(=O)(=O)Cc1ccc(cc1)[N+](=O)[O-]
Cc1ccccc1CC(C)(C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccccc1CC(C)(C)NS(=O)(=O)Cc1ccc(cc1)[*:1]
Cc1ccnc(Nc2ncnc(N3CCCC[C@@H]3C)c2N)c1 C[C@H]1CCCCN1[*:1] Cc1ccnc(c1)Nc1ncnc(c1N)[*:1]
Cc1ccnc(Nc2ncnc(N3CCCC[C@@H]3C)c2N)c1 Cc1ccnc(c1)[*:1] C[C@H]1CCCCN1c1ncnc(N[*:1])c1N
NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1N NC(=O)[*:1] Nc1c(nsc1C(=O)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1ccncc1)[*:1]
NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1N Fc1ccc(cc1)[*:1] NC(=O)c1nsc(C(=O)N([C@H](C(=O)NC2CCCC2)c2ccncc2)[*:1])c1N
NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1N C1CCC(C1)[*:1] NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)N[*:1])c2ccncc2)c1N
NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1N O=C(NC1CCCC1)[*:1] NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](c2ccncc2)[*:1])c1N
NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1N c1cc(ccn1)[*:1] NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCC2)[*:1])c1N
Cc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(Br)cc4)no3)ccc2=O)cc1C Brc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)Cn1cc(ccc1=O)-c1nc(no1)[*:1]
Cc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(Br)cc4)no3)ccc2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(Cn1cc(ccc1=O)-c1nc(no1)-c1ccc(Br)cc1)N[*:1]
COc1ccc(Cl)cc1C(=O)Nc1ccn(C)n1 Cn1ccc(n1)[*:1] COc1ccc(Cl)cc1C(=O)N[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C[C@H](C(=O)NNC(=O)CCc1ccc(F)cc1)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)CCc1ccc(F)cc1
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CC[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C[*:1]
Cc1ccn2/c(=N/C(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)[nH]nc2c1 Fc1cccc(F)c1[*:1] Cc1ccn2/c(=N/C(=O)[C@@H]3C[C@H]3[*:1])[nH]nc2c1
Cc1cccc(C(N)=O)c1NCc1cn2cccc(C)c2[nH+]1 NC(=O)[*:1] Cc1cccc(c1NCc1cn2cccc(C)c2[nH+]1)[*:1]
Cc1ccnc(NNC(=O)[C@H]2CCOC2)c1 C1C[C@@H](CO1)[*:1] Cc1ccnc(c1)NNC(=O)[*:1]
COC(=O)NCCOC(=O)c1cnn(C)c1-n1c(C)ccc1C Cc1ccc(C)n1[*:1] COC(=O)NCCOC(=O)c1cnn(C)c1[*:1]
COC(=O)NCCOC(=O)c1cnn(C)c1-n1c(C)ccc1C COC(=O)NC[*:1] Cc1ccc(C)n1-c1c(cnn1C)C(=O)OC[*:1]
COC(=O)NCCOC(=O)c1cnn(C)c1-n1c(C)ccc1C COC(=O)N[*:1] Cc1ccc(C)n1-c1c(cnn1C)C(=O)OCC[*:1]
COC(=O)NCCOC(=O)c1cnn(C)c1-n1c(C)ccc1C COC(=O)NCC[*:1] Cc1ccc(C)n1-c1c(cnn1C)C(=O)O[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)N(C)CCC#N)cc1 CCN(CC)C(=O)[*:1] CN(CCC#N)C(=O)Nc1ccc(cc1)C[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)N(C)CCC#N)cc1 N#CC[*:1] CCN(CC)C(=O)Cc1ccc(cc1)NC(=O)N(C)C[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)N(C)CCC#N)cc1 N#CCC[*:1] CCN(CC)C(=O)Cc1ccc(cc1)NC(=O)N(C)[*:1]
Cn1nccc1CNC(=O)C(=O)Nc1ccccc1-n1cccn1 Cn1nccc1C[*:1] O=C(Nc1ccccc1-n1cccn1)C(=O)N[*:1]
Cn1nccc1CNC(=O)C(=O)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] Cn1nccc1CNC(=O)C(=O)Nc1ccccc1[*:1]
Cn1nccc1CNC(=O)C(=O)Nc1ccccc1-n1cccn1 Cn1nccc1[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1-n1cccn1
CCN1c2ncccc2C(=O)NC12CCN(C(=O)[C@@H](C)c1n[nH]c(=O)c3ccccc13)CC2 O=c1[nH]nc(c2ccccc12)[*:1] CCN1c2ncccc2C(=O)NC12CCN(CC2)C(=O)[C@@H](C)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cccc(Cl)c3)CC2)c(C)c1 C[C@H](c1cccc(Cl)c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cccc(Cl)c3)CC2)c(C)c1 Clc1cccc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cccc(Cl)c3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1cccc(Cl)c1
COC[C@](C)(O)Cc1ccc(OC)c(OC)c1 COC[*:1] COc1ccc(cc1OC)C[C@](C)(O)[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)Nc2cc(C)ccc2C)CC1 Cc1ccc(C)c(c1)[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)C(=O)N[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)Nc2cc(C)ccc2C)CC1 CCOc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)N1CCN(CC1)C(=O)[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)Nc2cc(C)ccc2C)CC1 CCO[*:1] Cc1ccc(C)c(c1)NC(=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
Cc1cc(NC(=O)N2CCC[C@H]3CCC[C@H]32)ccc1OC1CCOCC1 C1CC(CCO1)O[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CCC[C@H]2CCC[C@H]21
Cc1cc(NC(=O)N2CCC[C@H]3CCC[C@H]32)ccc1OC1CCOCC1 C1CC(CCO1)[*:1] Cc1cc(ccc1O[*:1])NC(=O)N1CCC[C@H]2CCC[C@H]21
COc1ccc(/C=C(/NC(=O)c2ccc(OC)c(OC)c2)C(=O)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)NC(=C[*:1])C(=O)N1CCOCC1
COc1ccc(/C=C(/NC(=O)c2ccc(OC)c(OC)c2)C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(/C=C(/NC(=O)c2ccc(OC)c(c2)OC)[*:1])cc1
COc1ccc(/C=C(/NC(=O)c2ccc(OC)c(OC)c2)C(=O)N2CCOCC2)cc1 COc1ccc(cc1OC)[*:1] COc1ccc(/C=C(/NC(=O)[*:1])C(=O)N2CCOCC2)cc1
C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cnc(C(C)(C)C)nc1 CC(C)(C)[*:1] C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cnc(nc1)[*:1]
C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cnc(C(C)(C)C)nc1 C[C@@H]1C[C@H]1C(=O)N[*:1] CC(C)(C)c1ncc(cn1)NC(=O)CC[*:1]
Nc1c([N+](=O)[O-])cnn1Cc1ccc(C2CC2)cc1 C1CC1[*:1] Nc1c(cnn1Cc1ccc(cc1)[*:1])[N+](=O)[O-]
Nc1c([N+](=O)[O-])cnn1Cc1ccc(C2CC2)cc1 O=[N+]([O-])[*:1] Nc1c(cnn1Cc1ccc(cc1)C1CC1)[*:1]
CSc1ccc(CN(C)C(=O)CNC(=O)c2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] CSc1ccc(cc1)CN(C)C(=O)CNC(=O)[*:1]
CSc1ccc(CN(C)C(=O)CNC(=O)c2ccc(F)cc2F)cc1 CSc1ccc(cc1)[*:1] CN(C[*:1])C(=O)CNC(=O)c1ccc(F)cc1F
O=C1N[C@@H](C(=O)N(CC2CC2)CC2CC2)CS1 C1CC1C[*:1] O=C1N[C@H](CS1)C(=O)N(CC1CC1)[*:1]
O=C1N[C@@H](C(=O)N(CC2CC2)CC2CC2)CS1 C1CC1[*:1] O=C1N[C@H](CS1)C(=O)N(CC1CC1)C[*:1]
Cc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C)c1 Fc1ccc(cc1)O[*:1] Cc1ccc(NC(=O)c2ccc(C[*:1])o2)c(C)c1
Cc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])c1ccc(COc2ccc(F)cc2)o1
Cc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(NC(=O)c2ccc(CO[*:1])o2)c(C)c1
CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21 Fc1ccc(cc1F)[*:1] CCn1c(=O)n(CC)c2cc(ccc21)S(=O)(=O)N[*:1]
CC[C@@H]([NH3+])Cc1cc(C)c(OC/C(Cl)=C/Cl)c(C)c1 Cl/C=C(\Cl)[*:1] CC[C@@H]([NH3+])Cc1cc(C)c(OC[*:1])c(C)c1
CC[C@@H]([NH3+])Cc1cc(C)c(OC/C(Cl)=C/Cl)c(C)c1 Cl/C=C(\Cl)C[*:1] CC[C@@H]([NH3+])Cc1cc(C)c(O[*:1])c(C)c1
CC[C@@H]([NH3+])Cc1cc(C)c(OC/C(Cl)=C/Cl)c(C)c1 Cl/C=C(\Cl)CO[*:1] CC[C@@H]([NH3+])Cc1cc(C)c(c(C)c1)[*:1]
CO[C@]1(C)C[C@H](N(C)C(=O)c2cc(NC(C)=O)ccc2F)C1(C)C CC(=O)N[*:1] CO[C@]1(C)C[C@H](N(C)C(=O)c2cc(ccc2F)[*:1])C1(C)C
C[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCc2ccccc21 C[C@@H]1C[C@H]1[*:1] CN(C(=O)[*:1])[C@@H]1CCc2ccccc21
C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)[C@H](C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](NC(=O)c1ccc(cc1)N1CCCC1=O)[C@H](C)[*:1]
C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)[C@H](C)N1CCOCC1 O=C1CCCN1[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])[C@H](C)N1CCOCC1
O=C(c1cc2cccc([N+](=O)[O-])c2[n-]1)N(Cc1ccncc1)C1CC1 C1CC1[*:1] O=C(c1cc2cccc(c2[n-]1)[N+](=O)[O-])N(Cc1ccncc1)[*:1]
O=C(c1cc2cccc([N+](=O)[O-])c2[n-]1)N(Cc1ccncc1)C1CC1 O=[N+]([O-])[*:1] O=C(c1cc2cccc(c2[n-]1)[*:1])N(Cc1ccncc1)C1CC1
O=C(c1cc2cccc([N+](=O)[O-])c2[n-]1)N(Cc1ccncc1)C1CC1 c1cc(ccn1)[*:1] O=C(c1cc2cccc(c2[n-]1)[N+](=O)[O-])N(C[*:1])C1CC1
O=C(c1cc2cccc([N+](=O)[O-])c2[n-]1)N(Cc1ccncc1)C1CC1 c1cc(ccn1)C[*:1] O=C(c1cc2cccc(c2[n-]1)[N+](=O)[O-])N(C1CC1)[*:1]
COC(=O)CN(CC#N)Cc1ccc([S@](C)=O)cc1 COC(=O)C[*:1] C[S@](=O)c1ccc(cc1)CN(CC#N)[*:1]
COC(=O)CN(CC#N)Cc1ccc([S@](C)=O)cc1 N#CC[*:1] COC(=O)CN(Cc1ccc(cc1)[S@](C)=O)[*:1]
COC(=O)CN(CC#N)Cc1ccc([S@](C)=O)cc1 COC(=O)[*:1] C[S@](=O)c1ccc(cc1)CN(CC#N)C[*:1]
COC(=O)CN(CC#N)Cc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] COC(=O)CN(CC#N)Cc1ccc(cc1)[*:1]
O=[N+]([O-])c1cccc(/C=N/[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 O=[N+]([O-])[*:1] O=S(=O)([N-]/N=C/c1cccc(c1)[*:1])c1cc(Cl)c(Cl)cc1Cl
COc1cccc(-c2noc(-c3ccc(OC(C)C)cc3)n2)c1 CC(C)[*:1] COc1cccc(c1)-c1noc(n1)-c1ccc(cc1)O[*:1]
COc1cccc(-c2noc(-c3ccc(OC(C)C)cc3)n2)c1 CC(C)O[*:1] COc1cccc(c1)-c1noc(n1)-c1ccc(cc1)[*:1]
O=C(Cc1cccs1)N1CCS[C@H]1c1ccc(F)cc1 c1csc(c1)[*:1] O=C(C[*:1])N1CCS[C@H]1c1ccc(F)cc1
O=C(Cc1cccs1)N1CCS[C@H]1c1ccc(F)cc1 c1csc(c1)C[*:1] O=C(N1CCS[C@H]1c1ccc(F)cc1)[*:1]
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 COc1ccc(cc1)[*:1] CN(c1ccc(cc1)C(=O)Nc1ccccc1Cl)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)N[*:1]
O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@@H]1N1CCCC1)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@@H]1N1CCCC1)[*:1]
O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@@H]1N1CCCC1)c1cc(Cl)ccc1Cl C1CCN(C1)[*:1] O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@H]1[*:1])c1cc(Cl)ccc1Cl
O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1cccnc1 c1cncc(c1)[*:1] O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)[*:1]
O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1cccnc1 c1ccc2sc(nc2c1)[*:1] O=C(Oc1ccc(/C=N/N[*:1])cc1)c1cccnc1
O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1cccnc1 O=C(O[*:1])c1cccnc1 C(=N/Nc1nc2ccccc2s1)\c1ccc(cc1)[*:1]
COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccoc2)cc1 c1cc(co1)C[*:1] COc1ccc(cc1)-c1n[nH]cc1C[NH2+][*:1]
COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccoc2)cc1 c1cc(co1)[*:1] COc1ccc(cc1)-c1n[nH]cc1C[NH2+]C[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)C(=O)N1C[C@@H]2CC=CC[C@H]2C1 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])C(=O)N1C[C@@H]2CC=CC[C@H]2C1
Cn1nnnc1SCC(=O)NCc1c(F)c(F)cc(F)c1F Cn1nnnc1S[*:1] O=C(C[*:1])NCc1c(F)c(F)cc(F)c1F
Cn1nnnc1SCC(=O)NCc1c(F)c(F)cc(F)c1F Cn1nnnc1[*:1] O=C(CS[*:1])NCc1c(F)c(F)cc(F)c1F
CC(C)C[NH2+]Cc1cn([C@H]2CCO[C@]3(CCOC3)C2)nn1 CC(C)[*:1] c1c(C[NH2+]C[*:1])nnn1[C@H]1CCO[C@]2(CCOC2)C1
CC(C)C[NH2+]Cc1cn([C@H]2CCO[C@]3(CCOC3)C2)nn1 CC(C)C[*:1] c1c(C[NH2+][*:1])nnn1[C@H]1CCO[C@]2(CCOC2)C1
C[C@H](Oc1cccc(C=O)c1)C(=O)NCc1ccc(C(F)(F)F)cc1 O=Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)NCc1ccc(cc1)C(F)(F)F
C[C@H](Oc1cccc(C=O)c1)C(=O)NCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](Oc1cccc(C=O)c1)C(=O)NCc1ccc(cc1)[*:1]
O[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CCOC2(CCC2)C1 FC(F)(F)[*:1] O[C@@H](c1ccc(cc1)[*:1])[C@@H]1CCOC2(CCC2)C1
Cc1cc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)no1 Cc1cc(no1)NC(=O)[*:1] c1ccc(cc1)COc1nn(cc1[*:1])Cc1ccccc1
Cc1cc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)no1 c1ccc(cc1)C[*:1] Cc1cc(no1)NC(=O)c1cn(Cc2ccccc2)nc1O[*:1]
Cc1cc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)c1cn(C[*:1])nc1OCc1ccccc1
Cc1cc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)c1cn(Cc2ccccc2)nc1OC[*:1]
Cc1cc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])c1cn(Cc2ccccc2)nc1OCc1ccccc1
Cc1cc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)no1 c1ccc(cc1)C[*:1] Cc1cc(no1)NC(=O)c1cn(nc1OCc1ccccc1)[*:1]
Cc1cc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)no1 c1ccc(cc1)CO[*:1] Cc1cc(no1)NC(=O)c1cn(Cc2ccccc2)nc1[*:1]
CC1(C(=O)N2CC[C@H](C(=O)[O-])C2)CCCC1 O=C([O-])[*:1] CC1(CCCC1)C(=O)N1CC[C@H](C1)[*:1]
O=C(Cc1ccccc1)Nc1ccc2[nH]c(=O)sc2c1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc2[nH]c(=O)sc2c1
O=S(=O)(CC[C@@H](O)c1cccs1)c1ccccc1 c1csc(c1)[*:1] O=S(=O)(CC[C@@H](O)[*:1])c1ccccc1
O=S(=O)(CC[C@@H](O)c1cccs1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(CC[C@@H](O)c1cccs1)[*:1]
O=C([O-])c1cc(F)c(OCc2ccc(Br)cc2)c(F)c1 O=C([O-])[*:1] Fc1cc(cc(F)c1OCc1ccc(Br)cc1)[*:1]
Cc1ccc2nc(SCC(=O)N[C@@H](C)C3=CNN(c4ccccc4)[C@@H]3C)[nH]c2c1 c1ccc(cc1)[*:1] Cc1ccc2nc([nH]c2c1)SCC(=O)N[C@@H](C)C1=CNN([C@@H]1C)[*:1]
O=c1[nH]c2ccc(S(=O)(=O)NC3CC3)cc2c2ccccc12 O=S(=O)(NC1CC1)[*:1] O=c1[nH]c2ccc(cc2c2ccccc12)[*:1]
O=c1[nH]c2ccc(S(=O)(=O)NC3CC3)cc2c2ccccc12 C1CC1[*:1] O=c1[nH]c2ccc(cc2c2ccccc12)S(=O)(=O)N[*:1]
COCCN(Cc1ccccn1)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 COCC[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)N(Cc1ccccn1)[*:1]
COCCN(Cc1ccccn1)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 COC[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)N(Cc1ccccn1)C[*:1]
COCCN(Cc1ccccn1)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 FC(F)(F)[*:1] COCCN(Cc1ccccn1)C(=O)Nc1ccc(C)c(c1)[*:1]
COCCN(Cc1ccccn1)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 c1ccc(nc1)[*:1] COCCN(C[*:1])C(=O)Nc1ccc(C)c(c1)C(F)(F)F
COCCN(Cc1ccccn1)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 c1ccc(C[*:1])nc1 COCCN(C(=O)Nc1ccc(C)c(c1)C(F)(F)F)[*:1]
CC(C)[C@H]([NH3+])c1n[nH]c(-c2ccco2)n1 CC(C)[*:1] [NH3+][C@H](c1n[nH]c(n1)-c1ccco1)[*:1]
CC(C)[C@H]([NH3+])c1n[nH]c(-c2ccco2)n1 c1coc(c1)[*:1] CC(C)[C@H]([NH3+])c1n[nH]c(n1)[*:1]
COC(=O)[C@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@@H]1C c1ccc(cc1)[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)C(=O)C1(CC1)[*:1]
COC(=O)[C@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@@H]1[*:1])C(=O)C1(CC1)c1ccccc1
COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCC2(CCCCC2)CC1 COc1ccc(Cl)cc1[*:1] O=C([C@@H]1CCCN1C(=O)[*:1])N1CCC2(CCCCC2)CC1
O=C1C[C@H](C(=O)N2CCC[C@@H](n3cccn3)C2)CN1CC1CC1 c1cnn(c1)[*:1] O=C1C[C@@H](CN1CC1CC1)C(=O)N1CCC[C@@H](C1)[*:1]
O=C1C[C@H](C(=O)N2CCC[C@@H](n3cccn3)C2)CN1CC1CC1 C1CC1[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1CCC[C@H](C1)n1cccn1
O=C1C[C@H](C(=O)N2CCC[C@@H](n3cccn3)C2)CN1CC1CC1 C1CC1C[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC[C@H](C1)n1cccn1
CN(CCc1noc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)C(=O)NC[C@@H]1CCCO1 O=C(N1CCOCC1)[*:1] CN(CCc1noc(n1)-c1ccc(cc1)[*:1])C(=O)NC[C@@H]1CCCO1
Cc1ccc(CNC(=O)c2nnc(CSc3nccn3-c3cc(C)cc(C)c3)s2)cc1 Cc1cc(C)cc(c1)[*:1] Cc1ccc(cc1)CNC(=O)c1nnc(CSc2nccn2[*:1])s1
Cc1ccc(CNC(=O)c2nnc(CSc3nccn3-c3cc(C)cc(C)c3)s2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)-n1ccnc1SCc1nnc(s1)C(=O)N[*:1]
Cc1ccc(CNC(=O)c2nnc(CSc3nccn3-c3cc(C)cc(C)c3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)-n1ccnc1SCc1nnc(s1)C(=O)NC[*:1]
CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1O[*:1] CC[C@@H](C(=O)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1)[*:1]
CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 Clc1cccc(c1)C[*:1] CC[C@@H](Oc1ccccc1F)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] CC[C@@H](O[*:1])C(=O)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1
CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 Clc1cccc(c1)[*:1] CC[C@@H](Oc1ccccc1F)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1ccc(S(=O)(=O)NCc2cccnc2OC(C)C)cc1[N+](=O)[O-] CC(C)[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NCc1cccnc1O[*:1]
Cc1ccc(S(=O)(=O)NCc2cccnc2OC(C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)NCc1cccnc1OC(C)C
Cc1ccc(S(=O)(=O)NCc2cccnc2OC(C)C)cc1[N+](=O)[O-] CC(C)O[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NCc1cccnc1[*:1]
NC(=O)CC1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 NC(=O)[*:1] O=C(/C=C/c1ccc(Cl)s1)N1CCC(CC1)C[*:1]
NC(=O)CC1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] NC(=O)CC1CCN(CC1)C(=O)C=C[*:1]
NC(=O)CC1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 NC(=O)C[*:1] O=C(/C=C/c1ccc(Cl)s1)N1CCC(CC1)[*:1]
C[C@H]1CCC[C@H](C[NH2+]Cc2cccnc2N2CCC[C@H](C(N)=O)C2)C1 NC(=O)[*:1] C[C@H]1CCC[C@H](C[NH2+]Cc2cccnc2N2CCC[C@H](C2)[*:1])C1
CC(=O)[C@H](C)n1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 CC(=O)[C@H](C)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
CC(=O)[C@H](C)n1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 Cc1ccc(cc1)[*:1] CC(=O)[C@H](C)n1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
CC(=O)[C@H](C)n1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 CC(=O)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)c1nc2ccccc2n1[C@@H](C)[*:1]
Cc1nn(C)c(C)c1C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 Cc1nn(C)c(C)c1[*:1] C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[*:1]
Cc1nn(C)c(C)c1C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 Brc1cccc(c1)[*:1] Cc1nn(C)c(C)c1C(=O)NNC(=O)[C@H](C)O[*:1]
Cc1nn(C)c(C)c1C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 Brc1cccc(c1)O[*:1] Cc1nn(C)c(C)c1C(=O)NNC(=O)[C@H](C)[*:1]
O=C([O-])CCS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 O=C([O-])[*:1] O=c1[nH]c2ccc(cc2o1)S(=O)(=O)CC[*:1]
O=C([O-])CCS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 O=C([O-])C[*:1] O=c1[nH]c2ccc(cc2o1)S(=O)(=O)C[*:1]
O=C([O-])CCS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 O=C([O-])CC[*:1] O=c1[nH]c2ccc(cc2o1)S(=O)(=O)[*:1]
CCOC(=O)CN1C(=O)/C(=C2/SC(=N)NC2=O)c2ccccc21 CCOC(=O)C[*:1] N=C1NC(=O)/C(S1)=C1\C(=O)N(c2ccccc21)[*:1]
CCOC(=O)CN1C(=O)/C(=C2/SC(=N)NC2=O)c2ccccc21 CCOC(=O)[*:1] N=C1NC(=O)/C(S1)=C1\C(=O)N(C[*:1])c2ccccc21
Fc1cc(CNc2cc(-n3ccnc3)ncn2)ccc1Oc1cccnc1 c1cn(cn1)[*:1] Fc1cc(ccc1Oc1cccnc1)CNc1cc(ncn1)[*:1]
Fc1cc(CNc2cc(-n3ccnc3)ncn2)ccc1Oc1cccnc1 c1cncc(c1)[*:1] Fc1cc(ccc1O[*:1])CNc1cc(ncn1)-n1ccnc1
Fc1cc(CNc2cc(-n3ccnc3)ncn2)ccc1Oc1cccnc1 c1cncc(c1)O[*:1] Fc1cc(ccc1[*:1])CNc1cc(ncn1)-n1ccnc1
C[C@H]1CCCCC[C@@H]1[NH2+]CCSc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCCCC[C@@H]1[NH2+]CCS[*:1]
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCCc1ncnn1C Cn1ncnc1C[*:1] CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NC[*:1]
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCCc1ncnn1C CCO[*:1] Cn1ncnc1CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCCc1ncnn1C CCOc1ccccc1[*:1] Cn1ncnc1CCNC(=O)[C@H]1CCCN1C(=O)[*:1]
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCCc1ncnn1C Cn1ncnc1CC[*:1] CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[*:1]
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCCc1ncnn1C Cn1ncnc1[*:1] CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCC[*:1]
O=C([C@H]1C[C@H]1c1ccc(F)cc1)N(Cc1ccncc1)Cc1cccnc1 c1cc(ccn1)C[*:1] O=C([C@H]1C[C@H]1c1ccc(F)cc1)N(Cc1cccnc1)[*:1]
O=C([C@H]1C[C@H]1c1ccc(F)cc1)N(Cc1ccncc1)Cc1cccnc1 c1cc(ccn1)[*:1] O=C([C@H]1C[C@H]1c1ccc(F)cc1)N(Cc1cccnc1)C[*:1]
O=C([C@H]1C[C@H]1c1ccc(F)cc1)N(Cc1ccncc1)Cc1cccnc1 c1cncc(c1)[*:1] O=C([C@H]1C[C@H]1c1ccc(F)cc1)N(Cc1ccncc1)C[*:1]
O=C([C@H]1C[C@H]1c1ccc(F)cc1)N(Cc1ccncc1)Cc1cccnc1 c1cncc(c1)C[*:1] O=C([C@H]1C[C@H]1c1ccc(F)cc1)N(Cc1ccncc1)[*:1]
O=C([C@H]1C[C@H]1c1ccc(F)cc1)N(Cc1ccncc1)Cc1cccnc1 Fc1ccc(cc1)[*:1] O=C([C@H]1C[C@@H]1[*:1])N(Cc1ccncc1)Cc1cccnc1
COc1ccc2sc(OC3CCN(C(=O)NCc4ccc(OC)c(OC)c4)CC3)nc2c1 COc1ccc(cc1OC)[*:1] COc1ccc2sc(nc2c1)OC1CCN(CC1)C(=O)NC[*:1]
CCCCS[C@@H](C)C(=O)NCc1nc(C)sc1C CCC[*:1] Cc1nc(CNC(=O)[C@H](C)SC[*:1])c(C)s1
CCCCS[C@@H](C)C(=O)NCc1nc(C)sc1C CCCC[*:1] Cc1nc(CNC(=O)[C@H](C)S[*:1])c(C)s1
CCCCS[C@@H](C)C(=O)NCc1nc(C)sc1C CCCCS[*:1] Cc1nc(CNC(=O)[C@H](C)[*:1])c(C)s1
C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 c1coc(c1)[*:1] C[C@H](N(C)C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)[*:1]
C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)no2)cc1C CS(=O)(=O)[*:1] Cc1ccc(cc1C)-c1cc(no1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)no2)cc1C Cc1ccc(cc1C)[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(on3)[*:1])sc2c1
C[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1O O=[N+]([O-])[*:1] C[C@H]1CCN(C[C@@H]1O)c1c(Br)cncc1[*:1]
CCOCCn1nc(C)cc1C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1 CCOC[*:1] Cc1cc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2)n(C[*:1])n1
CCOCCn1nc(C)cc1C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1 CCOCC[*:1] Cc1cc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2)n(n1)[*:1]
CCOCCn1nc(C)cc1C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1 CCO[*:1] Cc1cc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2)n(CC[*:1])n1
O=C(C1CCN(c2nc3c(F)cccc3s2)CC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 Fc1cccc2sc(nc12)[*:1] O=C(C1CCN(CC1)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
O=C(Cc1ccc(N2CCCC2=O)cc1)NNc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)NN[*:1]
O=C(Cc1ccc(N2CCCC2=O)cc1)NNc1ccc(F)cc1 O=C1CCCN1[*:1] O=C(Cc1ccc(cc1)[*:1])NNc1ccc(F)cc1
O=C(Nc1ccc(F)cc1)N[C@H]1CCCCC[C@H]1C(=O)[O-] Fc1ccc(cc1)[*:1] O=C(N[C@H]1CCCCC[C@H]1C(=O)[O-])N[*:1]
O=C(Nc1ccc(F)cc1)N[C@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1ccc(F)cc1)N[C@H]1CCCCC[C@@H]1[*:1]
CC/C=C/COC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC/C=C/COC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC/C=C/COC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 CC/C=C/C[*:1] O=C(O[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1
CC/C=C/COC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 CCC=C[*:1] O=C(OC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 O=C(N[*:1])C1CC1 CC(C)(C)c1ccc(cc1)[C@H](C#N)NC(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 CC(C)(C)[*:1] N#C[C@H](NC(=O)c1ccc(cc1)NC(=O)C1CC1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)[C@H](C#N)NC(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(c1csc(Nc2cccc(Cl)c2)n1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 Clc1cccc(c1)[*:1] O=C(c1csc(n1)N[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
O=C(c1csc(Nc2cccc(Cl)c2)n1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 Clc1cccc(c1)N[*:1] O=C(c1csc(n1)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O c1csc(c1)C[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(Cl)cc1
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O Clc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)NCc2cccs2)C1=O)[*:1]
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2cccs2)C1=O c1csc(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1ccc(Cl)cc1
CN1C(=O)[C@@](O)([C@@H]2C[C@H](C(C)(C)C)CCC2=O)c2ccccc21 CC(C)(C)[*:1] CN1C(=O)[C@](O)(c2ccccc21)[C@@H]1C[C@H](CCC1=O)[*:1]
CC(C)(C)c1cc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2)nc([O-])n1 CC(C)(C)[*:1] O=C(c1cc(nc([O-])n1)[*:1])N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1
Cc1nc2cc(NC(=O)C(=O)NCC(C)(C)C3CCCCC3)ccc2o1 C1CCC(CC1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NCC(C)(C)[*:1]
Cc1csc(-c2ccc(C(=O)NNc3cc(C#N)cc(Cl)n3)cc2)n1 Cc1csc(n1)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccc(cc1)[*:1]
Cc1[nH]ncc1CCC[NH2+]Cc1ccccc1C(F)(F)F Cc1[nH]ncc1[*:1] FC(F)(F)c1ccccc1C[NH2+]CCC[*:1]
Cc1[nH]ncc1CCC[NH2+]Cc1ccccc1C(F)(F)F Cc1[nH]ncc1C[*:1] FC(F)(F)c1ccccc1C[NH2+]CC[*:1]
Cc1[nH]ncc1CCC[NH2+]Cc1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1[nH]ncc1CCC[NH2+]Cc1ccccc1[*:1]
CCc1ccc2nc(COC(C)C)[nH]c(=O)c2c1 CC(C)[*:1] CCc1ccc2nc(CO[*:1])[nH]c(=O)c2c1
CCc1ccc2nc(COC(C)C)[nH]c(=O)c2c1 CC(C)O[*:1] CCc1ccc2nc(C[*:1])[nH]c(=O)c2c1
CCc1ccc2nc(COC(C)C)[nH]c(=O)c2c1 CC(C)OC[*:1] CCc1ccc2nc([nH]c(=O)c2c1)[*:1]
Cc1occc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 Cc1occc1[*:1] O=C(NC1CC[NH+](CC1)Cc1cc(Cl)cc(c1[O-])[N+](=O)[O-])[*:1]
Cc1occc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 O=[N+]([O-])[*:1] Cc1occc1C(=O)NC1CC[NH+](CC1)Cc1cc(Cl)cc(c1[O-])[*:1]
Cc1occc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 Cc1occc1C(=O)N[*:1] O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(CC2)[*:1])c1[O-]
CC(C)c1nn(C)c2sc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cc12 CC(C)[*:1] Cn1nc(c2cc(sc21)C(=O)N1CCN(CC1)c1cc[nH+]cc1)[*:1]
COc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccccc3)c2c1 c1cc(ccn1)[*:1] COc1ccc2c(=O)c(cn(CC(=O)Nc3ccccc3)c2c1)C(=O)[*:1]
COc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccccc3)c2c1 O=C(C[*:1])Nc1ccccc1 COc1ccc2c(=O)c(cn(c2c1)[*:1])C(=O)c1ccncc1
COc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccccc3)c2c1 O=C(Nc1ccccc1)[*:1] COc1ccc2c(=O)c(cn(C[*:1])c2c1)C(=O)c1ccncc1
COc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccccc3)c2c1 c1ccc(cc1)[*:1] COc1ccc2c(=O)c(cn(CC(=O)N[*:1])c2c1)C(=O)c1ccncc1
COc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccccc3)c2c1 O=C(c1ccncc1)[*:1] COc1ccc2c(=O)c(cn(CC(=O)Nc3ccccc3)c2c1)[*:1]
CC(C)C[C@@H](CO)NC(=O)C1C[C@H](C)O[C@@H](C)C1 CC(C)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N[C@H](CO)C[*:1]
CC(C)C[C@@H](CO)NC(=O)C1C[C@H](C)O[C@@H](C)C1 CC(C)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N[C@H](CO)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NC2(C)CCC(C)CC2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)NC1(C)CCC(C)CC1
CC(=O)Nc1c(C)cc(NC(=O)NC2(C)CCC(C)CC2)cc1C CC1CCC(C)(CC1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N[*:1]
C[S@](=O)c1ccc(CNC(=O)c2ccc(Cl)nc2Cl)cc1 C[S@](=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(Cl)nc1Cl
CS(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc(c(c1)[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
CS(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 CS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1N1CCC[C@H]1c1ccc2OCCOc2c1)[*:1]
CCC(CC)NC(=O)c1nn(CC)c(=O)c2ccccc12 CCC(CC)[*:1] CCn1nc(C(=O)N[*:1])c2ccccc2c1=O
CCOc1cc(NC(=O)C2(C#N)CCCC2)c([N+](=O)[O-])cc1OCC CCO[*:1] CCOc1cc(NC(=O)C2(C#N)CCCC2)c(cc1[*:1])[N+](=O)[O-]
CCOc1cc(NC(=O)C2(C#N)CCCC2)c([N+](=O)[O-])cc1OCC O=[N+]([O-])[*:1] CCOc1cc(NC(=O)C2(C#N)CCCC2)c(cc1OCC)[*:1]
CCOc1cc(NC(=O)C2(C#N)CCCC2)c([N+](=O)[O-])cc1OCC N#CC1(CCCC1)[*:1] CCOc1cc(NC(=O)[*:1])c(cc1OCC)[N+](=O)[O-]
CCOc1cc(NC(=O)C2(C#N)CCCC2)c([N+](=O)[O-])cc1OCC CCO[*:1] CCOc1cc(c(cc1[*:1])NC(=O)C1(C#N)CCCC1)[N+](=O)[O-]
C[C@H](c1ccco1)N(C)C(=O)CCC(=O)c1cc(Cl)sc1Cl C[C@H](c1ccco1)[*:1] CN(C(=O)CCC(=O)c1cc(Cl)sc1Cl)[*:1]
C[C@H](c1ccco1)N(C)C(=O)CCC(=O)c1cc(Cl)sc1Cl c1coc(c1)[*:1] C[C@H](N(C)C(=O)CCC(=O)c1cc(Cl)sc1Cl)[*:1]
C[C@H](c1ccco1)N(C)C(=O)CCC(=O)c1cc(Cl)sc1Cl Clc1cc(c(Cl)s1)[*:1] C[C@H](c1ccco1)N(C)C(=O)CCC(=O)[*:1]
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCN(c3cc(C)[nH+]c(C)c3)CC1)C2 Cc1cc(cc(C)[nH+]1)[*:1] C=C1C(C)(C)[C@H]2CC[C@@]1(C2)C(=O)N1CCN(CC1)[*:1]
CC(=O)c1c(C)nc(C)nc1SCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C CC(=O)[*:1] Cc1nc(C)c(c(n1)SCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[*:1]
Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@H]2c1ccccc1Cl Clc1ccccc1[*:1] Cn1c(=O)c2c(OC(=O)C[C@@H]2[*:1])c2ccccc21
COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NS(=O)(=O)[*:1])C(C)C
COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[*:1]
CCCc1cnc(N)c(Br)n1 CCC[*:1] Nc1ncc(nc1Br)[*:1]
CC[C@H](C)N1C(=O)c2ccccc2N[C@@]1(C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](C)N1C(=O)c2ccccc2N[C@@]1(C)c1cccc(c1)[*:1]
CC[C@H](C)N1C(=O)c2ccccc2N[C@@]1(C)c1cccc([N+](=O)[O-])c1 CC[C@H](C)[*:1] C[C@]1(Nc2ccccc2C(=O)N1[*:1])c1cccc(c1)[N+](=O)[O-]
Cc1c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)ccn1CCO OCC[*:1] Cc1c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)ccn1[*:1]
Cc1c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)ccn1CCO Clc1ccc(cc1Cl)[*:1] Cc1c(OCC(=O)N[*:1])c(=O)ccn1CCO
Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 c1ccc(cc1)OC[*:1] Cc1ccccc1N1CCN(CC1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 Cc1ccccc1[*:1] O=C(COc1ccccc1)N1CCC[C@H](C1)N1CCN(CC1)[*:1]
Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 c1ccc(cc1)O[*:1] Cc1ccccc1N1CCN(CC1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1N1CCN(CC1)[C@@H]1CCCN(C1)C(=O)CO[*:1]
CC(C)C[C@H](CNc1cccc(F)c1C#N)CC(=O)[O-] O=C([O-])C[*:1] CC(C)C[C@H](CNc1cccc(F)c1C#N)[*:1]
CC(C)C[C@H](CNc1cccc(F)c1C#N)CC(=O)[O-] CC(C)[*:1] N#Cc1c(F)cccc1NC[C@H](CC(=O)[O-])C[*:1]
CC(C)C[C@H](CNc1cccc(F)c1C#N)CC(=O)[O-] CC(C)C[*:1] N#Cc1c(F)cccc1NC[C@H](CC(=O)[O-])[*:1]
CC(C)C[C@H](CNc1cccc(F)c1C#N)CC(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNc1cccc(F)c1C#N)C[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)[C@H](C)Cc3cccc(Cl)c3)c2)n1 Cc1n[nH]c(n1)[*:1] C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1cccc(c1)[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)[C@H](C)Cc3cccc(Cl)c3)c2)n1 Clc1cccc(c1)[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)[C@H](C)C[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)[C@H](C)Cc3cccc(Cl)c3)c2)n1 Clc1cccc(c1)C[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)[C@H](C)[*:1]
Cl/C(=C\c1ccccc1)c1ccc2ccccc2n1 c1ccc(cc1)[*:1] ClC(=C[*:1])c1ccc2ccccc2n1
COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3cc(Cl)ccc31)CC2 COC[*:1] Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2nc(nn2C1)[*:1]
CCN(C(=O)c1cncc(Br)c1)c1ccc2ccccc2c1 Brc1cncc(c1)[*:1] CCN(C(=O)[*:1])c1ccc2ccccc2c1
CN1CCO[C@H](C(=O)NCc2ccnc(OC(C)(C)C)c2)C1 CC(C)(C)[*:1] CN1CCO[C@@H](C1)C(=O)NCc1ccnc(c1)O[*:1]
CN1CCO[C@H](C(=O)NCc2ccnc(OC(C)(C)C)c2)C1 CC(C)(C)O[*:1] CN1CCO[C@@H](C1)C(=O)NCc1ccnc(c1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCCCC1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N1CCCCC1)[*:1]
CCc1cnc(CCNC(=O)Nc2ccc3nc(C4CC4)oc3c2)s1 C1CC1[*:1] CCc1cnc(CCNC(=O)Nc2ccc3nc(oc3c2)[*:1])s1
CCc1cnc(CCNC(=O)Nc2ccc3nc(C4CC4)oc3c2)s1 CCc1cnc(s1)[*:1] O=C(NCC[*:1])Nc1ccc2nc(oc2c1)C1CC1
CCc1cnc(CCNC(=O)Nc2ccc3nc(C4CC4)oc3c2)s1 CCc1cnc(C[*:1])s1 O=C(NC[*:1])Nc1ccc2nc(oc2c1)C1CC1
CNC(=O)c1ccn(-c2cccc(F)c2C#N)n1 CNC(=O)[*:1] N#Cc1c(F)cccc1-n1ccc(n1)[*:1]
Cc1c(Cl)cccc1-n1ccnc1SCc1n[nH]c(=O)[nH]1 O=c1[nH]nc(C[*:1])[nH]1 Cc1c(Cl)cccc1-n1ccnc1S[*:1]
Cc1c(Cl)cccc1-n1ccnc1SCc1n[nH]c(=O)[nH]1 O=c1[nH]nc([nH]1)[*:1] Cc1c(Cl)cccc1-n1ccnc1SC[*:1]
CC1=NN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2SC1=O O=[N+]([O-])[*:1] CC1=NN2C(=O)/C(=C\c3ccc(cc3)[*:1])N=C2SC1=O
Cc1ccc(C)c(SCC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 O[C@@H](c1ccccc1)[*:1] Cc1ccc(C)c(c1)SCC(=O)N1CCC(CC1)[*:1]
Cc1ccc(C)c(SCC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CS[*:1])N1CCC(CC1)[C@@H](O)c1ccccc1
Cc1ccc(C)c(SCC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)SCC(=O)N1CCC(CC1)[C@@H](O)[*:1]
CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\N[*:1])C(C)C
CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\Nc1cccc(Br)c1 CC(C)[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\Nc1cccc(Br)c1)[*:1]
Cc1ccc(F)c(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c1 Cc1ccc(F)c(c1)[*:1] O=C(NCCC[NH+]1CCCCCC1)C(=O)N[*:1]
CCc1ccccc1-n1cnnc1SCC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CCc1ccccc1[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)CSc1nncn1[*:1]
C=CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 C=CCO[*:1] N#CC1=C(N)OC2CCCC(=O)C=2[C@H]1c1ccc(cc1)[*:1]
C=CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 C=CC[*:1] N#CC1=C(N)OC2CCCC(=O)C=2[C@H]1c1ccc(cc1)O[*:1]
Cc1ccc2c([O-])c(C(=O)N(C)C[C@@H]3CCCO3)cnc2n1 C1CO[C@@H](C1)[*:1] Cc1ccc2c([O-])c(cnc2n1)C(=O)N(C)C[*:1]
Cc1ccc2c([O-])c(C(=O)N(C)C[C@@H]3CCCO3)cnc2n1 C1CO[C@@H](C1)C[*:1] Cc1ccc2c([O-])c(cnc2n1)C(=O)N(C)[*:1]
CC(C)Oc1cccnc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)Oc1cccnc1C(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)Oc1cccnc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CC(C)[*:1] O=C(Nc1ccc(F)c(c1)[N+](=O)[O-])c1ncccc1O[*:1]
CC(C)Oc1cccnc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CC(C)O[*:1] O=C(Nc1ccc(F)c(c1)[N+](=O)[O-])c1ncccc1[*:1]
O[C@@H](CSc1ccc(Cl)cc1)Cc1nc2ccccc2s1 Clc1ccc(cc1)[*:1] O[C@@H](CS[*:1])Cc1nc2ccccc2s1
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 c1ccc(cc1)C[*:1] C[C@@H]1CN(CC[C@@H]1[NH2+]CC1(CCC1)[*:1])Cc1ccccn1
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 c1ccc(nc1)[*:1] C[C@@H]1CN(CC[C@@H]1[NH2+]CC1(CCC1)Cc1ccccc1)C[*:1]
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 c1ccc(cc1)[*:1] C[C@@H]1CN(CC[C@@H]1[NH2+]CC1(CCC1)C[*:1])Cc1ccccn1
C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 c1ccc(C[*:1])nc1 C[C@@H]1CN(CC[C@@H]1[NH2+]CC1(CCC1)Cc1ccccc1)[*:1]
Cn1c(CNC(=O)Cc2csc(-c3cccnc3)n2)n[nH]c1=S c1cncc(c1)[*:1] Cn1c(CNC(=O)Cc2csc(n2)[*:1])n[nH]c1=S
Cn1c(CNC(=O)Cc2csc(-c3cccnc3)n2)n[nH]c1=S Cn1c(n[nH]c1=S)[*:1] O=C(Cc1csc(n1)-c1cccnc1)NC[*:1]
O=C1C[C@@H](c2ccccc2)N(C(=O)c2ccnc(OC3CCC3)c2)CCN1 c1ccc(cc1)[*:1] O=C1C[C@@H](N(CCN1)C(=O)c1ccnc(c1)OC1CCC1)[*:1]
O=C1C[C@@H](c2ccccc2)N(C(=O)c2ccnc(OC3CCC3)c2)CCN1 C1CC(C1)[*:1] O=C1C[C@@H](c2ccccc2)N(CCN1)C(=O)c1ccnc(c1)O[*:1]
O=C1C[C@@H](c2ccccc2)N(C(=O)c2ccnc(OC3CCC3)c2)CCN1 C1CC(C1)O[*:1] O=C1C[C@@H](c2ccccc2)N(CCN1)C(=O)c1ccnc(c1)[*:1]
Cc1cccc(C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1[*:1]
Cc1cccc(C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccccc1)[*:1]
C[C@H]1C=C(c2ccccc2)c2ccccc2N(C)/C1=N\S(C)(=O)=O c1ccc(cc1)[*:1] C[C@H]1C=C(c2ccccc2N(C)/C1=N\S(C)(=O)=O)[*:1]
COCc1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 COC[*:1] O=C(c1cccc(c1)[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
CCCSc1nc(N)c(NC(=O)c2ccccc2)c(=O)[nH]1 CCC[*:1] Nc1nc([nH]c(=O)c1NC(=O)c1ccccc1)S[*:1]
CCCSc1nc(N)c(NC(=O)c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] CCCSc1nc(N)c(NC(=O)[*:1])c(=O)[nH]1
CCCSc1nc(N)c(NC(=O)c2ccccc2)c(=O)[nH]1 CCCS[*:1] Nc1nc([nH]c(=O)c1NC(=O)c1ccccc1)[*:1]
CCC[NH2+][C@@H](C)c1nnc(-c2csc(I)c2)o1 CCC[*:1] C[C@H]([NH2+][*:1])c1nnc(o1)-c1csc(I)c1
CC(C)OCCCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C CC(C)O[*:1] Cn1c(nc2cc(cnc21)C(=O)NCCC[*:1])-c1ccccc1Cl
CC(C)OCCCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C CC(C)[*:1] Cn1c(nc2cc(cnc21)C(=O)NCCCO[*:1])-c1ccccc1Cl
CC(C)OCCCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C Clc1ccccc1[*:1] CC(C)OCCCNC(=O)c1cnc2c(c1)nc(n2C)[*:1]
CC(C)OCCCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C CC(C)OC[*:1] Cn1c(nc2cc(cnc21)C(=O)NCC[*:1])-c1ccccc1Cl
CC(C)OCCCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C CC(C)OCCC[*:1] Cn1c(nc2cc(cnc21)C(=O)N[*:1])-c1ccccc1Cl
CC(C)OCCCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C CC(C)OCC[*:1] Cn1c(nc2cc(cnc21)C(=O)NC[*:1])-c1ccccc1Cl
O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1CCCN(c2cnccn2)C1 c1cnc(cn1)[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1CCCN(C1)[*:1]
CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)N[C@@H]1CCC[C@@H](C1)[NH+](C)C)[*:1]
C[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccccc1Cl c1ccc(cc1)O[*:1] C[C@H](C(=O)N[C@H](C)c1ccccc1Cl)[*:1]
C[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccccc1Cl c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N[C@H](C)c1ccccc1Cl
C[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](Oc1ccccc1)C(=O)N[C@H](C)[*:1]
NC(=O)C1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)CC1 NC(=O)[*:1] O=C(c1ccc(cc1)CS(=O)(=O)N1CCCC1)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)CC1 O=S(=O)(N1CCCC1)[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)C[*:1]
N#C[C@@H](Nc1ccc(Cl)c(Br)c1)[C@H]1CCCOC1 C1COC[C@H](C1)[*:1] N#C[C@@H](Nc1ccc(Cl)c(Br)c1)[*:1]
CCCc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+][C@@H]2C)cc1 CCC[*:1] C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(cc2)[*:1])[C@@H](C)[NH2+]1
O=C(Nc1cnn(Cc2ccccc2)c1)N1C[C@H]2CC=CC[C@@H]2C1 c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)C[*:1])N1C[C@H]2CC=CC[C@@H]2C1
O=C(Nc1cnn(Cc2ccccc2)c1)N1C[C@H]2CC=CC[C@@H]2C1 c1ccc(cc1)C[*:1] O=C(Nc1cnn(c1)[*:1])N1C[C@H]2CC=CC[C@@H]2C1
Cc1ccc2ncn(CC(=O)N(C)Cc3cccc(F)c3)c(=O)c2c1 Fc1cccc(c1)[*:1] Cc1ccc2ncn(CC(=O)N(C)C[*:1])c(=O)c2c1
Cc1ccc2ncn(CC(=O)N(C)Cc3cccc(F)c3)c(=O)c2c1 Fc1cccc(c1)C[*:1] Cc1ccc2ncn(CC(=O)N(C)[*:1])c(=O)c2c1
C[NH+](C)[C@H]1CC[C@H](NC(=O)Cc2csc(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Cc1csc(n1)[*:1]
CC[C@H](C#N)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC[C@H](C#N)NC(=O)/C=C/c1ccc(cc1)[*:1]
C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)[*:1]
CN(C(=O)COc1ncnc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)COc1ncnc2ccccc12)[*:1]
CCOc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1OCC c1cncc(c1)[*:1] CCOc1ccc(/C=c2\sc3nc(nn3c2=O)[*:1])cc1OCC
CCOc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1OCC CCO[*:1] CCOc1ccc(/C=c2\sc3nc(nn3c2=O)-c2cccnc2)cc1[*:1]
CCOc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1OCC CCO[*:1] CCOc1cc(/C=c2\sc3nc(nn3c2=O)-c2cccnc2)ccc1[*:1]
O=C(NCc1cc(C#CCO)cs1)N1CCCCC1 OCC#C[*:1] O=C(NCc1cc(cs1)[*:1])N1CCCCC1
O=C([O-])[C@@H]1CCCC[C@@H]1Sc1ccncc1 O=C([O-])[*:1] c1cc(ccn1)S[C@H]1CCCC[C@H]1[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1ccccc1COc1ccccc1 c1ccc(cc1)OC[*:1] CC(C)[C@H](C)NC(=O)C(=O)Nc1ccccc1[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1ccccc1COc1ccccc1 CC(C)[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1COc1ccccc1)[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1ccccc1COc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C)NC(=O)C(=O)Nc1ccccc1CO[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1ccccc1COc1ccccc1 c1ccc(cc1)O[*:1] CC(C)[C@H](C)NC(=O)C(=O)Nc1ccccc1C[*:1]
CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)Nc2ccc(Br)cc21 c1ccc(cc1)[*:1] CC(=O)N([C@H]1C[C@@H](C)Nc2ccc(Br)cc21)[*:1]
C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(c1)[*:1]
C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 c1cc(cs1)C[*:1] C[C@H](NS(=O)(=O)c1cccc(c1)S(N)(=O)=O)[*:1]
C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 c1cc(cs1)[*:1] C[C@H](C[*:1])NS(=O)(=O)c1cccc(c1)S(N)(=O)=O
O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cc(Cl)c2c(c1)OCO2 Clc1ccc(cc1)[*:1] O=C(OCc1nc(no1)[*:1])c1cc(Cl)c2OCOc2c1
C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1nnc(o1)-c1ccc(F)cc1)[*:1]
C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1nnc(o1)[*:1])c1ccc(F)cc1
COc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CCCc3ccccc3)CC(=O)N21 c1ccc(cc1)CCC[*:1] COc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
COc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CCCc3ccccc3)CC(=O)N21 COc1ccccc1[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](N2C(=O)CN1CCCc1ccccc1)[*:1]
COc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CCCc3ccccc3)CC(=O)N21 c1ccc(cc1)C[*:1] COc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC[*:1])CC(=O)N21
COc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CCCc3ccccc3)CC(=O)N21 c1ccc(cc1)[*:1] COc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CCC[*:1])CC(=O)N21
COc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CCCc3ccccc3)CC(=O)N21 c1ccc(cc1)CC[*:1] COc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)C[*:1]
C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc(-c2cn[nH]c2)c1 c1n[nH]cc1[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc(-c2cn[nH]c2)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[*:1])C(=O)Nc1cccc(c1)-c1cn[nH]c1
CC(C)(C)c1ccc(C(=O)NCc2cnn3ccccc23)cc1 CC(C)(C)[*:1] O=C(NCc1cnn2ccccc12)c1ccc(cc1)[*:1]
C[C@H]([NH2+]Cc1ccon1)c1ccc(Cl)c(Cl)c1 c1cc(no1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(Cl)c(Cl)c1
COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)C1 COC(=O)[*:1] O=C([C@@H]1C[C@@H]1c1ccc(F)cc1F)N1CC[C@](F)(C1)[*:1]
c1cc(-c2nc3cc(Oc4ccc5oc(-c6ccncc6)nc5c4)ccc3o2)ccn1 c1cc(ccn1)[*:1] c1cc(ccn1)-c1nc2cc(ccc2o1)Oc1ccc2oc(nc2c1)[*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NC2(C#N)CC2)C1 N#CC1(CC1)[*:1] CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C1)C(=O)N[*:1]
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NC2(C#N)CC2)C1 CC(C)(C)[*:1] N#CC1(CC1)NC(=O)[C@H]1CC[C@H](C1)NC(=O)O[*:1]
N#Cc1c(F)cccc1N1CCN(Cc2csc(Cc3ccccc3)n2)CC1 N#Cc1c(F)cccc1[*:1] c1ccc(cc1)Cc1nc(cs1)CN1CCN(CC1)[*:1]
N#Cc1c(F)cccc1N1CCN(Cc2csc(Cc3ccccc3)n2)CC1 c1ccc(cc1)[*:1] N#Cc1c(F)cccc1N1CCN(CC1)Cc1csc(C[*:1])n1
N#Cc1c(F)cccc1N1CCN(Cc2csc(Cc3ccccc3)n2)CC1 c1ccc(cc1)C[*:1] N#Cc1c(F)cccc1N1CCN(CC1)Cc1csc(n1)[*:1]
CCc1nn2c(=O)cc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)nc2s1 C1CCC(C1)[*:1] CCc1nn2c(=O)cc(CN3C(=O)C(=O)N(C3=O)[*:1])nc2s1
Cc1cc(C)nc([C@H](C#N)C(=O)[C@@H](C)Cc2cccs2)n1 c1csc(c1)C[*:1] Cc1cc(C)nc(n1)[C@H](C#N)C(=O)[C@@H](C)[*:1]
Cc1cc(C)nc([C@H](C#N)C(=O)[C@@H](C)Cc2cccs2)n1 c1csc(c1)[*:1] Cc1cc(C)nc(n1)[C@H](C#N)C(=O)[C@@H](C)C[*:1]
N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1-c1ccccc1 N#Cc1ccccc1C[*:1] O=c1c2ccccc2nc(S[*:1])n1-c1ccccc1
N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1-c1ccccc1 N#Cc1ccccc1[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1ccccc1
N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1[*:1]
Cc1ccc(C[NH+]2CCN(CCN3C(=O)CCC3=O)CC2)cc1C O=C1CCC(=O)N1C[*:1] Cc1ccc(cc1C)C[NH+]1CCN(CC1)C[*:1]
Cc1ccc(C[NH+]2CCN(CCN3C(=O)CCC3=O)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C1CCC(=O)N1CCN1CC[NH+](CC1)C[*:1]
Cc1ccc(C[NH+]2CCN(CCN3C(=O)CCC3=O)CC2)cc1C O=C1CCC(=O)N1[*:1] Cc1ccc(cc1C)C[NH+]1CCN(CC1)CC[*:1]
CCCN(CC1CC1)C(=O)[C@H](C)Sc1nc(C)cc(N)n1 C1CC1C[*:1] CCCN(C(=O)[C@H](C)Sc1nc(C)cc(N)n1)[*:1]
CCCN(CC1CC1)C(=O)[C@H](C)Sc1nc(C)cc(N)n1 CCC[*:1] Cc1cc(N)nc(n1)S[C@@H](C)C(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)[C@H](C)Sc1nc(C)cc(N)n1 C1CC1[*:1] CCCN(C[*:1])C(=O)[C@H](C)Sc1nc(C)cc(N)n1
CC(C)c1noc(CCCNC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)n1 CC(C)[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCCCc1nc(no1)[*:1]
CC(C)c1noc(CCCNC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)n1 CC(C)c1noc(n1)[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCCC[*:1]
CC(C)c1noc(CCCNC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)n1 CC(C)c1noc(C[*:1])n1 C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCC[*:1]
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@H](SCC(=O)NCc4ccc(F)cc4)N3N2)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@H](SCC(=O)NC[*:1])N2N1
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@H](SCC(=O)NCc4ccc(F)cc4)N3N2)cc1 CCc1ccc(cc1)[*:1] O=C(CS[C@H]1N=NC(=O)[C@H]2C=C(NN12)[*:1])NCc1ccc(F)cc1
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@H](SCC(=O)NCc4ccc(F)cc4)N3N2)cc1 Fc1ccc(cc1)C[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@H](SCC(=O)N[*:1])N2N1
O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)[*:1]
O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCCc2c1cnn2C[*:1])c1ccccn1
O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccccn1 c1ccc(cc1)C[*:1] O=C(N[C@@H]1CCCc2c1cnn2[*:1])c1ccccn1
COc1cccc(C2(CNC(=O)c3cc(C#N)cn3C)CCCC2)c1 Cn1cc(C#N)cc1[*:1] COc1cccc(c1)C1(CCCC1)CNC(=O)[*:1]
COc1cccc(C2(CNC(=O)c3cc(C#N)cn3C)CCCC2)c1 COc1cccc(c1)[*:1] Cn1cc(C#N)cc1C(=O)NCC1(CCCC1)[*:1]
CNC(=O)c1cc(NCc2[nH+]c(C)ccc2[O-])ccc1Cl CNC(=O)[*:1] Cc1ccc([O-])c(CNc2ccc(Cl)c(c2)[*:1])[nH+]1
CCC(CC)n1ccc(C[C@H]([NH3+])[C@@H]2CSCCS2)n1 CCC(CC)[*:1] [NH3+][C@@H](Cc1ccn(n1)[*:1])[C@@H]1CSCCS1
COc1ccc(CNC(=O)C(=O)Nc2c(C)cccc2C(C)C)cn1 CC(C)[*:1] COc1ccc(cn1)CNC(=O)C(=O)Nc1c(C)cccc1[*:1]
COc1ccc(CNC(=O)C(=O)Nc2c(C)cccc2C(C)C)cn1 COc1ccc(cn1)[*:1] Cc1cccc(c1NC(=O)C(=O)NC[*:1])C(C)C
CC(C)CNC(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 CC(C)C[*:1] C[C@H]1CCC[C@@H](C1)OCc1cccc(c1)NC(=O)C(=O)N[*:1]
CC(C)CNC(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 CC(C)[*:1] C[C@H]1CCC[C@@H](C1)OCc1cccc(c1)NC(=O)C(=O)NC[*:1]
CC[C@@H](C(=O)NCCn1nc(-n2nc(C)cc2C)ccc1=O)c1ccccc1 CC[C@@H](c1ccccc1)[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CCNC(=O)[*:1])n1
CC[C@@H](C(=O)NCCn1nc(-n2nc(C)cc2C)ccc1=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)NCCn1nc(ccc1=O)-n1nc(C)cc1C)[*:1]
CC[C@@H](C(=O)NCCn1nc(-n2nc(C)cc2C)ccc1=O)c1ccccc1 Cc1cc(C)n(n1)[*:1] CC[C@@H](C(=O)NCCn1nc(ccc1=O)[*:1])c1ccccc1
O=[N+]([O-])c1ccc(F)cc1COc1ccc(CO)cc1 O=[N+]([O-])[*:1] OCc1ccc(cc1)OCc1cc(F)ccc1[*:1]
Nc1c(C(=O)NCCn2cccn2)cccc1C(F)(F)F c1cnn(c1)C[*:1] Nc1c(cccc1C(F)(F)F)C(=O)NC[*:1]
Nc1c(C(=O)NCCn2cccn2)cccc1C(F)(F)F c1cnn(c1)[*:1] Nc1c(cccc1C(F)(F)F)C(=O)NCC[*:1]
Nc1c(C(=O)NCCn2cccn2)cccc1C(F)(F)F FC(F)(F)[*:1] Nc1c(cccc1[*:1])C(=O)NCCn1cccn1
Nc1c(C(=O)NCCn2cccn2)cccc1C(F)(F)F c1cnn(c1)CC[*:1] Nc1c(cccc1C(F)(F)F)C(=O)N[*:1]
COc1ccc(C[NH+](Cc2ccncc2)C2CC2)cc1[N+](=O)[O-] c1cc(ccn1)[*:1] COc1ccc(cc1[N+](=O)[O-])C[NH+](C[*:1])C1CC1
COc1ccc(C[NH+](Cc2ccncc2)C2CC2)cc1[N+](=O)[O-] c1cc(ccn1)C[*:1] COc1ccc(cc1[N+](=O)[O-])C[NH+](C1CC1)[*:1]
COc1ccc(C[NH+](Cc2ccncc2)C2CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C[NH+](Cc1ccncc1)C1CC1
COc1ccc(C[NH+](Cc2ccncc2)C2CC2)cc1[N+](=O)[O-] C1CC1[*:1] COc1ccc(cc1[N+](=O)[O-])C[NH+](Cc1ccncc1)[*:1]
c1ccc(-c2ccc([C@H]3C[C@H](c4cccs4)n4nnnc4N3)cc2)cc1 c1csc(c1)[*:1] c1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@H](n2nnnc2N1)[*:1]
c1ccc(-c2ccc([C@H]3C[C@H](c4cccs4)n4nnnc4N3)cc2)cc1 c1ccc(cc1)[*:1] c1csc(c1)[C@H]1C[C@@H](Nc2nnnn21)c1ccc(cc1)[*:1]
CCc1n[n-]c([S@@](=O)[C@@H](C)C(=O)Nc2ccccc2Cl)n1 Clc1ccccc1[*:1] CCc1n[n-]c(n1)[S@@](=O)[C@@H](C)C(=O)N[*:1]
COC(=O)[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1cccc(C#N)c1 Fc1ccc(cc1Cl)[*:1] COC(=O)[C@H](N[C@H](C)[*:1])c1cccc(C#N)c1
COC(=O)[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] COC(=O)[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)[*:1]
COC(=O)[C@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1cccc(C#N)c1 COC(=O)[*:1] C[C@@H](N[C@H](c1cccc(C#N)c1)[*:1])c1ccc(F)c(Cl)c1
Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(c2cc[nH+]cc2)C1 c1cn(cn1)C[*:1] Cn1c(nnc1[*:1])[C@@H]1CCCN(C1)c1cc[nH+]cc1
Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(c2cc[nH+]cc2)C1 c1cn(cn1)[*:1] Cn1c(C[*:1])nnc1[C@@H]1CCCN(C1)c1cc[nH+]cc1
COc1ccccc1Nc1nc2nonc2nc1N/N=C/c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1ccccc1Nc1nc2nonc2nc1NN=C[*:1]
COc1ccccc1Nc1nc2nonc2nc1N/N=C/c1ccc(Br)cc1 COc1ccccc1N[*:1] Brc1ccc(/C=N/Nc2nc3nonc3nc2[*:1])cc1
COc1ccccc1Nc1nc2nonc2nc1N/N=C/c1ccc(Br)cc1 COc1ccccc1[*:1] Brc1ccc(/C=N/Nc2nc3nonc3nc2N[*:1])cc1
Cn1nc(C(=O)Cl)cc1-c1ccccc1 O=C(Cl)[*:1] Cn1nc(cc1-c1ccccc1)[*:1]
Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2=O O=[N+]([O-])[*:1] Cc1ccc2C(=O)N(CCC(=O)Nc3ccc(cc3)[*:1])C(=O)c2c1
CC(=O)Nc1cccc2c1CCN(C(=O)Nc1nccs1)C2 c1csc(n1)[*:1] CC(=O)Nc1cccc2CN(CCc21)C(=O)N[*:1]
CC(=O)Nc1cccc2c1CCN(C(=O)Nc1nccs1)C2 CC(=O)N[*:1] O=C(Nc1nccs1)N1CCc2c(cccc2[*:1])C1
COC(=O)Cc1ccccc1NC(=O)/C=C/c1ccc(C)o1 COC(=O)C[*:1] Cc1ccc(/C=C/C(=O)Nc2ccccc2[*:1])o1
COC(=O)Cc1ccccc1NC(=O)/C=C/c1ccc(C)o1 COC(=O)[*:1] Cc1ccc(/C=C/C(=O)Nc2ccccc2C[*:1])o1
COC(=O)Cc1ccccc1NC(=O)/C=C/c1ccc(C)o1 Cc1ccc(o1)[*:1] COC(=O)Cc1ccccc1NC(=O)C=C[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1cccc(C#N)c1 Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N(C)Cc1cccc(C#N)c1
CC(C)C[C@@H]1CCCN1c1nc(C2CC2)ns1 CC(C)[*:1] C1C[C@@H](C[*:1])N(C1)c1nc(ns1)C1CC1
CC(C)C[C@@H]1CCCN1c1nc(C2CC2)ns1 C1CC1[*:1] CC(C)C[C@@H]1CCCN1c1nc(ns1)[*:1]
CC(C)C[C@@H]1CCCN1c1nc(C2CC2)ns1 CC(C)C[*:1] C1C[C@H](N(C1)c1nc(ns1)C1CC1)[*:1]
CC[C@@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)c1cccc(Cl)c1 CC(C)(C)[*:1] CC[C@@H](NC(=O)N[C@H](C)c1nc(no1)[*:1])c1cccc(Cl)c1
CC[C@@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)N[C@H](C)c1nc(no1)C(C)(C)C)[*:1]
CSCC(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl CSC[*:1] C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[*:1]
CC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccco1 c1ccc(cc1)[*:1] CC(=O)[C@H](C)Sc1nnc(n1Cc1ccco1)[*:1]
CC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccco1 c1coc(c1)C[*:1] CC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1[*:1]
CC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccco1 CC(=O)[*:1] C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)[*:1]
CC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccco1 c1coc(c1)[*:1] CC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1C[*:1]
CC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccco1 CC(=O)[C@H](C)S[*:1] c1ccc(cc1)-c1nnc(n1Cc1ccco1)[*:1]
Cc1occc1-c1nnc(SCc2ccc3ccccc3n2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])SCc1ccc2ccccc2n1
C[C@@H](C(N)=S)N1CCN(c2ccc3nccnc3n2)CC1 C[C@@H](C(N)=S)[*:1] c1cnc2nc(ccc2n1)N1CCN(CC1)[*:1]
C[C@@H](C(N)=S)N1CCN(c2ccc3nccnc3n2)CC1 NC(=S)[*:1] C[C@@H](N1CCN(CC1)c1ccc2nccnc2n1)[*:1]
CN(C(=O)C[NH+](C)CCCc1n[nH]c(N)c1C#N)c1nccs1 c1csc(n1)[*:1] CN(C(=O)C[NH+](C)CCCc1n[nH]c(N)c1C#N)[*:1]
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)CCCC CCCC[*:1] C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)[*:1]
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)CCCC O=C([O-])[*:1] C#CCN(C[*:1])C(=O)N[C@@H](C)CCCC
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)CCCC C#CC[*:1] CCCC[C@H](C)NC(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)CCCC CCC[*:1] C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)C[*:1]
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)CCCC O=C([O-])C[*:1] C#CCN(C(=O)N[C@@H](C)CCCC)[*:1]
Cc1nc2ccccc2nc1CS(=O)(=O)[C@H](C(=O)N1CCCC1)c1ccccc1 O=C(N1CCCC1)[*:1] Cc1nc2ccccc2nc1CS(=O)(=O)[C@H](c1ccccc1)[*:1]
Cc1nc2ccccc2nc1CS(=O)(=O)[C@H](C(=O)N1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2ccccc2nc1CS(=O)(=O)[C@H](C(=O)N1CCCC1)[*:1]
COc1cccc(N2CCN(c3nc(C)nc4[nH]ccc34)CC2)c1 COc1cccc(c1)[*:1] Cc1nc(c2cc[nH]c2n1)N1CCN(CC1)[*:1]
O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccccc1C(=O)NC1CC1 O=C(NC1CC1)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)Nc1ccc2OCOc2c1)Nc1ccccc1[*:1]
O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccccc1C(=O)NC1CC1 c1cc2OCOc2cc1[*:1] O=C(C[NH+]1CCC(CC1)C(=O)N[*:1])Nc1ccccc1C(=O)NC1CC1
O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccccc1C(=O)NC1CC1 C1CC1[*:1] O=C(C[NH+]1CCC(CC1)C(=O)Nc1ccc2OCOc2c1)Nc1ccccc1C(=O)N[*:1]
CSC1(C#N)CCN(C(=O)C2(CC(C)C)CCCC2)CC1 CC(C)[*:1] CSC1(C#N)CCN(CC1)C(=O)C1(CCCC1)C[*:1]
CSC1(C#N)CCN(C(=O)C2(CC(C)C)CCCC2)CC1 CC(C)C[*:1] CSC1(C#N)CCN(CC1)C(=O)C1(CCCC1)[*:1]
CCc1ccsc1C(=O)c1c[nH]c(C(=O)[O-])c1 O=C([O-])[*:1] CCc1ccsc1C(=O)c1c[nH]c(c1)[*:1]
O=C(COC(=O)C1=NN=CC1)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(COC(=O)C1CC=NN=1)C1=c2ccccc2=[NH+][C@H]1[*:1]
C[C@@H](c1nc(C(C)(C)C)no1)[S@](=O)Cc1ncn(-c2ccccc2)n1 CC(C)(C)[*:1] C[C@@H](c1nc(no1)[*:1])[S@](=O)Cc1ncn(n1)-c1ccccc1
C[C@@H](c1nc(C(C)(C)C)no1)[S@](=O)Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](c1nc(no1)C(C)(C)C)[S@](=O)Cc1ncn(n1)[*:1]
CCCC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F CCCC(=O)N[*:1] COc1cc(F)c(cc1OC)[C@H](C)[*:1]
CCCC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F CCC[*:1] COc1cc(F)c(cc1OC)[C@H](C)NC(=O)[*:1]
CC(C)CN(C1CCCC1)S(=O)(=O)c1cccc(Br)c1 C1CCC(C1)[*:1] CC(C)CN(S(=O)(=O)c1cccc(Br)c1)[*:1]
CC(C)CN(C1CCCC1)S(=O)(=O)c1cccc(Br)c1 CC(C)[*:1] O=S(=O)(c1cccc(Br)c1)N(C[*:1])C1CCCC1
CC(C)CN(C1CCCC1)S(=O)(=O)c1cccc(Br)c1 CC(C)C[*:1] O=S(=O)(c1cccc(Br)c1)N(C1CCCC1)[*:1]
COc1ccc2o/c(=[NH+]/NC(=O)c3ccncc3)c(C(N)=O)cc2c1 c1cc(ccn1)[*:1] COc1ccc2o/c(=[NH+]/NC(=O)[*:1])c(cc2c1)C(N)=O
COc1ccc2o/c(=[NH+]/NC(=O)c3ccncc3)c(C(N)=O)cc2c1 NC(=O)[*:1] COc1ccc2o/c(=[NH+]/NC(=O)c3ccncc3)c(cc2c1)[*:1]
C=CCNC(=S)NNC(=O)[C@@H](C)c1cccc(F)c1 C=CC[*:1] C[C@H](C(=O)NNC(=S)N[*:1])c1cccc(F)c1
O=C([O-])/C=C/c1ccc(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1 O=C([O-])C=C[*:1] O=C(CCc1nc(no1)-c1cc(Br)cs1)Nc1ccc(cc1)[*:1]
O=C([O-])/C=C/c1ccc(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1 Brc1csc(c1)[*:1] O=C([O-])/C=C/c1ccc(cc1)NC(=O)CCc1nc(no1)[*:1]
O=C([O-])/C=C/c1ccc(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)cc1 O=C([O-])[*:1] O=C(CCc1nc(no1)-c1cc(Br)cs1)Nc1ccc(C=C[*:1])cc1
COc1ccccc1CNC(=O)[C@@H](C)[S@@](=O)Cc1ccon1 c1cc(no1)[*:1] COc1ccccc1CNC(=O)[C@@H](C)[S@@](=O)C[*:1]
NC(=O)[C@@H]1CC(=O)N(c2cc(-c3nc4ccccc4o3)ccc2Cl)C1 NC(=O)[*:1] O=C1C[C@H](CN1c1cc(ccc1Cl)-c1nc2ccccc2o1)[*:1]
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C#N)cc2)cc1Cl N#Cc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)C(C#N)=C[*:1]
Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 CC(C)[*:1] Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CN(CCO1)C[*:1]
Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 Cc1ccccc1[*:1] CC(C)CN1CCO[C@H](CNC(=O)C(=O)N[*:1])C1
Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 CC(C)C[*:1] Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CN(CCO1)[*:1]
CSCC(=O)NNC(=O)NCCc1c(C)cc(C)cc1C CSC[*:1] Cc1cc(C)c(CCNC(=O)NNC(=O)[*:1])c(C)c1
NC(=O)CCN(C(=O)C1=Cc2cc(F)ccc2OC1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)CCN(C(=O)C1=Cc2cc(F)ccc2OC1)[*:1]
NC(=O)CCN(C(=O)C1=Cc2cc(F)ccc2OC1)c1ccccc1 NC(=O)C[*:1] O=C(C1=Cc2cc(F)ccc2OC1)N(C[*:1])c1ccccc1
NC(=O)CCN(C(=O)C1=Cc2cc(F)ccc2OC1)c1ccccc1 NC(=O)[*:1] O=C(C1=Cc2cc(F)ccc2OC1)N(CC[*:1])c1ccccc1
NC(=O)CCN(C(=O)C1=Cc2cc(F)ccc2OC1)c1ccccc1 NC(=O)CC[*:1] O=C(C1=Cc2cc(F)ccc2OC1)N(c1ccccc1)[*:1]
Cc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1 Clc1cccc(c1)[*:1] Cc1ccc2[nH]cc(c2c1)[C@@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
Cc1ccnc2c1nc(N)n2CCCC(N)=O NC(=O)C[*:1] Cc1ccnc2c1nc(N)n2CC[*:1]
Cc1ccnc2c1nc(N)n2CCCC(N)=O NC(=O)[*:1] Cc1ccnc2c1nc(N)n2CCC[*:1]
Cc1ccnc2c1nc(N)n2CCCC(N)=O NC(=O)CC[*:1] Cc1ccnc2c1nc(N)n2C[*:1]
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1 C1CN(CCO1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(n1-c1cccc(F)c1)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1[*:1]
Cc1ccc(O[C@H](C)C(=O)NCCS(N)(=O)=O)c(Br)c1 NS(=O)(=O)CC[*:1] Cc1ccc(O[C@H](C)C(=O)N[*:1])c(Br)c1
Cc1ccc(O[C@H](C)C(=O)NCCS(N)(=O)=O)c(Br)c1 NS(=O)(=O)[*:1] Cc1ccc(O[C@H](C)C(=O)NCC[*:1])c(Br)c1
Cc1ccc(O[C@H](C)C(=O)NCCS(N)(=O)=O)c(Br)c1 NS(=O)(=O)C[*:1] Cc1ccc(O[C@H](C)C(=O)NC[*:1])c(Br)c1
CCOc1ccc(OCC(=O)N2CCC[C@@H](C)C2)cc1 CCO[*:1] C[C@@H]1CCCN(C1)C(=O)COc1ccc(cc1)[*:1]
CN(Cc1ccccc1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12
CN(Cc1ccccc1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 c1ccc(cc1)C[*:1] CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12)[*:1]
CN(Cc1ccccc1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 c1cc(c2nsnc2c1)[*:1] CN(Cc1ccccc1)C(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
COc1cc([C@H](C)[NH2+]Cc2cccc(NC(=O)N(C)C)c2)ccc1F CN(C)C(=O)N[*:1] COc1cc(ccc1F)[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
CC1CCN(C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 NS(=O)(=O)[*:1] CC1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
C/C(=N\N=C1/CCc2ccccc21)c1nnn(-c2nonc2N)c1C Nc1nonc1[*:1] C/C(=N\N=C1/CCc2ccccc21)c1nnn(c1C)[*:1]
COc1ccc(N2CCN(CC(=O)NCc3ccccn3)[C@H](C)C2=O)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)N1CCN(CC(=O)NC[*:1])[C@H](C)C1=O
COc1ccc(N2CCN(CC(=O)NCc3ccccn3)[C@H](C)C2=O)cc1 COc1ccc(cc1)[*:1] C[C@@H]1C(=O)N(CCN1CC(=O)NCc1ccccn1)[*:1]
COc1ccc(N2CCN(CC(=O)NCc3ccccn3)[C@H](C)C2=O)cc1 c1ccc(C[*:1])nc1 COc1ccc(cc1)N1CCN(CC(=O)N[*:1])[C@H](C)C1=O
O=C1CCCN1C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 O=C1CCCN1[*:1] O=[N+]([O-])c1ccc(cc1)CN1CCCC[C@@H]1C[*:1]
O=C1CCCN1C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 O=C1CCCN1C[*:1] O=[N+]([O-])c1ccc(cc1)CN1CCCC[C@@H]1[*:1]
O=C1CCCN1C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C1CCCN1C[C@H]1CCCCN1Cc1ccc(cc1)[*:1]
Cn1c([C@H]2CCCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)nc2ccccc21 Fc1ccc(cc1)[*:1] Cn1c(nc2ccccc21)[C@H]1CCCN(C1)C(=O)C(C)(C)[*:1]
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(C(=O)[O-])cc2)cc1 CC(C)(C)[*:1] O=C(COc1ccc(cc1)[*:1])N/N=C/c1ccc(cc1)C(=O)[O-]
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(C(=O)[O-])cc2)cc1 O=C([O-])[*:1] CC(C)(C)c1ccc(cc1)OCC(=O)N/N=C/c1ccc(cc1)[*:1]
O=C(CNC(=O)c1ccc(F)cc1F)NNC(=O)CC12CC3CC(CC(C3)C1)C2 Fc1ccc(c(F)c1)[*:1] O=C(CNC(=O)[*:1])NNC(=O)CC12CC3CC(CC(C3)C1)C2
CN(CC1CCOCC1)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 C1CC(CCO1)[*:1] CN(C[*:1])C(=O)c1csc2nc(cn12)-c1ccc(F)cc1
CN(CC1CCOCC1)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 C1CC(CCO1)C[*:1] CN(C(=O)c1csc2nc(cn12)-c1ccc(F)cc1)[*:1]
CN(CC1CCOCC1)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 Fc1ccc(cc1)[*:1] CN(CC1CCOCC1)C(=O)c1csc2nc(cn12)[*:1]
Cc1nc(-c2ccc(OS(=O)(=O)c3ccccc3Cl)cc2)no1 Clc1ccccc1[*:1] Cc1nc(no1)-c1ccc(cc1)OS(=O)(=O)[*:1]
Cc1nc(-c2ccc(OS(=O)(=O)c3ccccc3Cl)cc2)no1 Cc1nc(no1)[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccccc1Cl
COc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] COc1ccccc1OCC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 COc1ccccc1[*:1] O=C(CO[*:1])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1
COc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 Fc1ccccc1C[*:1] COc1ccccc1OCC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 COc1ccccc1O[*:1] O=C(C[*:1])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)N([C@@H](C)C(=O)Nc1cccc(c1)[*:1])S(C)(=O)=O
Cc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](C(=O)Nc1cccc(c1)C(F)(F)F)N(S(C)(=O)=O)[*:1]
CC[C@@H](c1ccccc1)[S@@](=O)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C c1ccc(cc1)[*:1] CC[C@@H]([S@@](=O)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[*:1]
O=C(Nc1cccc(CCC(F)(F)F)c1)N1CCCC[C@@H]1CO FC(F)(F)CC[*:1] O=C(Nc1cccc(c1)[*:1])N1CCCC[C@@H]1CO
O=C(Nc1cccc(CCC(F)(F)F)c1)N1CCCC[C@@H]1CO FC(F)(F)C[*:1] O=C(Nc1cccc(c1)C[*:1])N1CCCC[C@@H]1CO
O=C(Nc1cccc(CCC(F)(F)F)c1)N1CCCC[C@@H]1CO FC(F)(F)[*:1] O=C(Nc1cccc(c1)CC[*:1])N1CCCC[C@@H]1CO
Clc1ccc(C2=NN3[C@@H]([C@H]4C=C(c5ccccc5)N=N4)NN[C@H]3SC2)cc1 c1ccc(cc1)[*:1] Clc1ccc(cc1)C1CS[C@@H]2NN[C@H]([C@H]3C=C(N=N3)[*:1])N2N=1
Clc1ccc(C2=NN3[C@@H]([C@H]4C=C(c5ccccc5)N=N4)NN[C@H]3SC2)cc1 Clc1ccc(cc1)[*:1] C1=C(N=N[C@H]1[C@H]1NN[C@H]2SCC(=NN12)[*:1])c1ccccc1
CC[C@@H]([NH2+]C)c1ccn(CC[NH+](C)C)c1 C[NH+](C)CC[*:1] CC[C@@H]([NH2+]C)c1ccn(c1)[*:1]
O=C(CN1CCOCC1)N1CCN(c2ccc3c(Cl)ccc(Cl)c3n2)CC1 C1CN(CCO1)[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc2c(Cl)ccc(Cl)c2n1
O=C(CN1CCOCC1)N1CCN(c2ccc3c(Cl)ccc(Cl)c3n2)CC1 C1CN(CCO1)C[*:1] O=C(N1CCN(CC1)c1ccc2c(Cl)ccc(Cl)c2n1)[*:1]
Cn1c(=O)c2c(ncn2CCOC(=O)c2cscn2)n(C)c1=O c1nc(cs1)[*:1] Cn1c(=O)c2c(ncn2CCOC(=O)[*:1])n(C)c1=O
COC(=O)CC(=O)N1CC[NH+](C2CCCCCC2)CC1 COC(=O)[*:1] O=C(C[*:1])N1CC[NH+](CC1)C1CCCCCC1
COC(=O)CC(=O)N1CC[NH+](C2CCCCCC2)CC1 COC(=O)C[*:1] O=C(N1CC[NH+](CC1)C1CCCCCC1)[*:1]
S=c1n(C[NH+]2CCC(c3nc4ccccc4o3)CC2)nc(C2CC2)n1-c1ccccc1 c1ccc(cc1)[*:1] S=c1n(C[NH+]2CCC(CC2)c2nc3ccccc3o2)nc(C2CC2)n1[*:1]
S=c1n(C[NH+]2CCC(c3nc4ccccc4o3)CC2)nc(C2CC2)n1-c1ccccc1 C1CC1[*:1] S=c1n(C[NH+]2CCC(CC2)c2nc3ccccc3o2)nc(n1-c1ccccc1)[*:1]
S=c1n(C[NH+]2CCC(c3nc4ccccc4o3)CC2)nc(C2CC2)n1-c1ccccc1 c1ccc2oc(nc2c1)[*:1] S=c1n(C[NH+]2CCC(CC2)[*:1])nc(C2CC2)n1-c1ccccc1
COC(=O)c1cc(-c2ccccc2)nc2ccnn12 COC(=O)[*:1] c1ccc(cc1)-c1cc(n2nccc2n1)[*:1]
COC(=O)c1cc(-c2ccccc2)nc2ccnn12 c1ccc(cc1)[*:1] COC(=O)c1cc(nc2ccnn12)[*:1]
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[*:1]
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccco1 N#Cc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1ccco1
N#Cc1cccc(/C=C2/N=C(c3ccsc3)OC2=O)c1 c1cc(cs1)[*:1] N#Cc1cccc(/C=C2/N=C(OC2=O)[*:1])c1
O=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 c1coc(c1)[*:1] O=C(c1ccc(o1)-c1nc2ccccc2s1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)c1ccc(o1)[*:1]
CC(C)c1ccc(C(N)=[NH2+])cn1 NC(=[NH2+])[*:1] CC(C)c1ccc(cn1)[*:1]
CC(C)c1ccc(C(N)=[NH2+])cn1 CC(C)[*:1] NC(=[NH2+])c1ccc(nc1)[*:1]
O=S1(=O)N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1 c1ccc(cc1)[*:1] O=S1(=O)N[C@@H](c2ccccc2)[C@H](N1)[*:1]
O=C(N[C@@H]1CC=CCC1)N1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(N[C@@H]1CC=CCC1)N1CCN(CC1)C(=O)[*:1]
CCc1cnc(C)nc1N1CCC(n2nccc2NC(=O)C2CCCC2)CC1 C1CCC(C1)[*:1] CCc1cnc(C)nc1N1CCC(CC1)n1nccc1NC(=O)[*:1]
CCc1cnc(C)nc1N1CCC(n2nccc2NC(=O)C2CCCC2)CC1 CCc1cnc(C)nc1[*:1] O=C(Nc1ccnn1C1CCN(CC1)[*:1])C1CCCC1
CCc1cnc(C)nc1N1CCC(n2nccc2NC(=O)C2CCCC2)CC1 O=C(N[*:1])C1CCCC1 CCc1cnc(C)nc1N1CCC(CC1)n1nccc1[*:1]
CCNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1 CC(C)[*:1] CCNC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
CCNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1 CCNC(=O)[*:1] CC(C)NS(=O)(=O)c1cccc(c1)[*:1]
COc1ccccc1N1CC[NH+](CCC(=O)Nc2cccc(Cl)c2C)CC1 COc1ccccc1[*:1] Cc1c(Cl)cccc1NC(=O)CC[NH+]1CCN(CC1)[*:1]
COc1ccccc1N1CC[NH+](CCC(=O)Nc2cccc(Cl)c2C)CC1 Cc1c(Cl)cccc1[*:1] COc1ccccc1N1CC[NH+](CCC(=O)N[*:1])CC1
C[C@H]1Cc2ccccc2N(C(=O)c2cn(Cc3cccnc3)nn2)C1 c1cncc(c1)C[*:1] C[C@H]1Cc2ccccc2N(C1)C(=O)c1cn(nn1)[*:1]
C[C@H]1Cc2ccccc2N(C(=O)c2cn(Cc3cccnc3)nn2)C1 c1cncc(c1)[*:1] C[C@H]1Cc2ccccc2N(C1)C(=O)c1cn(C[*:1])nn1
O=C(O[C@@H](c1ccccc1)c1nccs1)[C@H]1COc2ccccc2O1 c1csc(n1)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])[C@H]1COc2ccccc2O1
O=C(O[C@@H](c1ccccc1)c1nccs1)[C@H]1COc2ccccc2O1 c1ccc(cc1)[*:1] O=C(O[C@@H](c1nccs1)[*:1])[C@H]1COc2ccccc2O1
C=CC[NH2+]C[C@@H]1COc2ccccc21 C=CC[*:1] c1ccc2c(c1)OC[C@H]2C[NH2+][*:1]
CC(C)SC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 CC(C)[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N=C(S[*:1])N2c1ccc2OCCOc2c1
CCNC(=O)[C@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)c2cnccn2)CCO1 CCNC(=O)[*:1] Cc1cccc(c1)-c1ccc(cc1)C[C@@]1(CN(CCO1)C(=O)c1cnccn1)[*:1]
CCNC(=O)[C@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)c2cnccn2)CCO1 c1cnc(cn1)[*:1] CCNC(=O)[C@]1(Cc2ccc(cc2)-c2cccc(C)c2)CN(CCO1)C(=O)[*:1]
CCNC(=O)[C@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)c2cnccn2)CCO1 Cc1cccc(c1)[*:1] CCNC(=O)[C@]1(Cc2ccc(cc2)[*:1])CN(CCO1)C(=O)c1cnccn1
C[C@@H](CC(=O)N[C@@H]1CC[NH2+]C1)C(C)(C)C CC(C)(C)[*:1] C[C@@H](CC(=O)N[C@@H]1CC[NH2+]C1)[*:1]
Cc1c2ccccc2nc(C[S@@](=O)c2ccccc2)[n+]1[O-] c1ccc(cc1)[*:1] Cc1c2ccccc2nc(C[S@@](=O)[*:1])[n+]1[O-]
CNC(=O)c1ccn(-c2nc3c(N)cccc3o2)n1 CNC(=O)[*:1] Nc1cccc2oc(nc12)-n1ccc(n1)[*:1]
COC(=O)Cc1ccc2c(c1)CC(=O)N2 COC(=O)C[*:1] O=C1Cc2cc(ccc2N1)[*:1]
COC(=O)Cc1ccc2c(c1)CC(=O)N2 COC(=O)[*:1] O=C1Cc2cc(ccc2N1)C[*:1]
COc1ccc(NS(=O)(=O)c2ccc(Oc3ncnc4sccc34)cc2)cc1 c1nc(c2ccsc2n1)[*:1] COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)O[*:1]
COc1ccc(NS(=O)(=O)c2ccc(Oc3ncnc4sccc34)cc2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N[*:1])c1ccc(cc1)Oc1ncnc2sccc12
C[C@@H](C(=O)N1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O Clc1cccc(c1)[*:1] C[C@@H](C(=O)N1CCOCC1)N(S(C)(=O)=O)[*:1]
O=C(CN1CCCc2ccccc21)Nc1cccnc1 c1cncc(c1)[*:1] O=C(CN1CCCc2ccccc21)N[*:1]
C[C@@H](NC(=O)N[C@H]1CCC[C@@H]1C(N)=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@H]1CCC[C@@H]1C(N)=O)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)N[C@H]1CCC[C@@H]1C(N)=O)c1ccc(-c2ccccc2)cc1 NC(=O)[*:1] C[C@@H](NC(=O)N[C@H]1CCC[C@H]1[*:1])c1ccc(cc1)-c1ccccc1
Cc1cc(C)c(NC(=O)CNc2cc(-c3nc(C)no3)cc[nH+]2)c(C)c1 Cc1noc(n1)[*:1] Cc1cc(C)c(NC(=O)CNc2cc(cc[nH+]2)[*:1])c(C)c1
O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1CC1CC[NH2+]CC1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1c2ccc(cc2C(=O)N1CC1CC[NH2+]CC1)O[*:1]
O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1CC1CC[NH2+]CC1 O=[N+]([O-])[*:1] O=C1c2ccc(cc2C(=O)N1CC1CC[NH2+]CC1)Oc1ccc(cc1)[*:1]
C[C@@H](O)CNc1cncc(OCc2ccccc2)n1 C[C@@H](O)CN[*:1] c1ccc(cc1)COc1cncc(n1)[*:1]
C[C@@H](O)CNc1cncc(OCc2ccccc2)n1 C[C@@H](O)C[*:1] c1ccc(cc1)COc1cncc(n1)N[*:1]
C[C@@H](O)CNc1cncc(OCc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](O)CNc1cncc(n1)OC[*:1]
C[C@@H](O)CNc1cncc(OCc2ccccc2)n1 C[C@@H](O)[*:1] c1ccc(cc1)COc1cncc(n1)NC[*:1]
CCN[C@]1(C#N)CC[C@@H](N2C[C@H](C)OC[C@@H]2CC)C1 CCN[*:1] CC[C@H]1CO[C@@H](C)CN1[C@@H]1CC[C@@](C#N)(C1)[*:1]
Cc1cccc(C)c1OCCNC(=O)N[C@H]1CCCn2c(C)nnc21 Cc1cccc(C)c1[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)NCCO[*:1]
CNc1nc2c(s1)[C@@H](c1ccc(OC)c(OCc3ccccc3)c1)CC(O)=N2 c1ccc(cc1)C[*:1] CNc1nc2N=C(O)C[C@H](c3ccc(OC)c(c3)O[*:1])c2s1
CNc1nc2c(s1)[C@@H](c1ccc(OC)c(OCc3ccccc3)c1)CC(O)=N2 c1ccc(cc1)CO[*:1] CNc1nc2N=C(O)C[C@H](c3ccc(OC)c(c3)[*:1])c2s1
CNc1nc2c(s1)[C@@H](c1ccc(OC)c(OCc3ccccc3)c1)CC(O)=N2 c1ccc(cc1)[*:1] CNc1nc2N=C(O)C[C@H](c3ccc(OC)c(c3)OC[*:1])c2s1
Cc1nc2ccccc2n1CCCNC(=O)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] Cc1nc2ccccc2n1CCCNC(=O)c1ccc(nc1)[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 COC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 COCC[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1cccc(Br)c1)[*:1])c1ccc(Cl)cc1
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 Clc1ccc(cc1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccc(Br)c1
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 O=C(c1ccc(Cl)cc1)[*:1] COCCN1C(=O)C([O-])=C([C@@H]1c1cccc(Br)c1)[*:1]
C[C@H](CO)CSCc1cc(F)cc(C#CCCO)c1 C[C@H](CO)[*:1] OCCC#Cc1cc(F)cc(c1)CSC[*:1]
C[C@H](CO)CSCc1cc(F)cc(C#CCCO)c1 OCC[*:1] C[C@H](CO)CSCc1cc(F)cc(C#C[*:1])c1
C[C@H](CO)CSCc1cc(F)cc(C#CCCO)c1 C[C@H](CO)C[*:1] OCCC#Cc1cc(F)cc(c1)CS[*:1]
C[C@H](CO)CSCc1cc(F)cc(C#CCCO)c1 OCCC#C[*:1] C[C@H](CO)CSCc1cc(F)cc(c1)[*:1]
C[C@H](CO)CSCc1cc(F)cc(C#CCCO)c1 C[C@H](CO)CS[*:1] OCCC#Cc1cc(F)cc(c1)C[*:1]
CCCNC(=O)c1nnc2c(C(=O)OCC)ncn2c1N CCCNC(=O)[*:1] CCOC(=O)c1ncn2c(N)c(nnc12)[*:1]
CCCNC(=O)c1nnc2c(C(=O)OCC)ncn2c1N CCC[*:1] CCOC(=O)c1ncn2c(N)c(nnc12)C(=O)N[*:1]
CCCNC(=O)c1nnc2c(C(=O)OCC)ncn2c1N CCOC(=O)[*:1] CCCNC(=O)c1nnc2c(ncn2c1N)[*:1]
Cc1nnc(NC(=O)c2cnc3sc4c(n3c2=O)CCC4)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])c1cnc2sc3CCCc3n2c1=O
CCc1ccc(C(=O)NNC(=O)CCC(=O)c2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] CCc1ccc(cc1)C(=O)NNC(=O)CCC(=O)[*:1]
CCc1ccc(C(=O)NNC(=O)CCC(=O)c2ccc(F)cc2F)cc1 CCc1ccc(cc1)[*:1] O=C(CCC(=O)c1ccc(F)cc1F)NNC(=O)[*:1]
N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N=C2CCCC(=O)[C@H]2[C@H]1c1ccco1 Clc1cc(Cl)cc(c1)[*:1] N#CC1=C(N=C2CCCC(=O)[C@H]2[C@H]1c1ccco1)SCC(=O)N[*:1]
N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N=C2CCCC(=O)[C@H]2[C@H]1c1ccco1 c1coc(c1)[*:1] N#CC1=C(N=C2CCCC(=O)[C@H]2[C@@H]1[*:1])SCC(=O)Nc1cc(Cl)cc(Cl)c1
CC[C@H](C)NC(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)n(Cc2cccc(C)c2)c1=O Cc1cccc(c1)[*:1] CC[C@H](C)NC(=O)c1nn(-c2ccc(cc2)C(C)C)c(=O)n(C[*:1])c1=O
CC[C@H](C)NC(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)n(Cc2cccc(C)c2)c1=O CC(C)c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1nn(c(=O)n(Cc2cccc(C)c2)c1=O)[*:1]
CC[C@H](C)NC(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)n(Cc2cccc(C)c2)c1=O CC(C)[*:1] CC[C@H](C)NC(=O)c1nn(-c2ccc(cc2)[*:1])c(=O)n(Cc2cccc(C)c2)c1=O
CC[C@H](C)NC(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)n(Cc2cccc(C)c2)c1=O Cc1cccc(c1)C[*:1] CC[C@H](C)NC(=O)c1nn(-c2ccc(cc2)C(C)C)c(=O)n(c1=O)[*:1]
CCc1csc(Cn2cc([C@H]3CCOC3)nn2)n1 C1C[C@@H](CO1)[*:1] CCc1csc(Cn2cc(nn2)[*:1])n1
NC(=O)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)nn1 NC(=O)[*:1] O=C(c1ccccc1F)N1CCN(CC1)c1ccc(nn1)[*:1]
NC(=O)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)nn1 Fc1ccccc1[*:1] NC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)ccc21 FC(F)(F)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)Nc1cc(ccc1N1CCOCC1)[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)ccc21 C1CN(CCO1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CCCCN1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O CCC[*:1] NC(=O)CC[C@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
CCCCN1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O NC(=O)CC[*:1] CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N[C@H]2[*:1])C(=O)Nc2c(Cl)cccc21
CCCCN1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O NC(=O)[*:1] CCCCN1C(=O)[C@@H]2[C@@H](CC[*:1])N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O
CCCCN1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O NC(=O)C[*:1] CCCCN1C(=O)[C@@H]2[C@@H](C[*:1])N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O
CCCCN1C(=O)[C@@H]2[C@@H](CCC(N)=O)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O CCCC[*:1] NC(=O)CC[C@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
O=C1N=C(CNc2ccccc2Cl)N=C2SCC(c3ccccc3)=C12 c1ccc(cc1)[*:1] O=C1N=C(CNc2ccccc2Cl)N=C2SCC(=C12)[*:1]
O=C1N=C(CNc2ccccc2Cl)N=C2SCC(c3ccccc3)=C12 Clc1ccccc1N[*:1] O=C1N=C(C[*:1])N=C2SCC(=C12)c1ccccc1
O=C1N=C(CNc2ccccc2Cl)N=C2SCC(c3ccccc3)=C12 Clc1ccccc1[*:1] O=C1N=C(CN[*:1])N=C2SCC(=C12)c1ccccc1
C[NH+]1CCN(c2nnc(-n3cccc3C[NH+]3CCN(Cc4ccccc4)CC3)s2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1nnc(s1)-n1cccc1C[NH+]1CCN(CC1)C[*:1]
C[NH+]1CCN(c2nnc(-n3cccc3C[NH+]3CCN(Cc4ccccc4)CC3)s2)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCN(CC1)c1nnc(s1)-n1cccc1C[NH+]1CCN(CC1)[*:1]
O=C([O-])c1cc(Cl)ccc1N1CC(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C([O-])c1cc(Cl)ccc1N1CC(C1)[*:1]
O=C([O-])c1cc(Cl)ccc1N1CC(c2ccccc2)C1 O=C([O-])[*:1] Clc1ccc(c(c1)[*:1])N1CC(C1)c1ccccc1
COc1ccc([C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)C(C)C)cc1 N#Cc1cccc(c1)[*:1] COc1ccc(cc1)[C@H](NC(=O)N[C@H](C)[*:1])C(C)C
COc1ccc([C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)[*:1]
COc1ccc([C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)[*:1]
NC(=O)c1ccc(N[C@H]2CC[NH2+]C2)nn1 NC(=O)[*:1] c1cc(nnc1N[C@H]1CC[NH2+]C1)[*:1]
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccnc2)cc1 CCOC(=O)[*:1] O=C(N/N=C\c1cccnc1)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccnc2)cc1 c1cncc(c1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)C(=O)NN=C[*:1]
O=C(OC1CCC1)[C@H]1C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(OC1CCC1)[C@H]1C[C@@H]1[*:1]
O=C(OC1CCC1)[C@H]1C[C@H]1c1ccco1 C1CC(C1)[*:1] O=C(O[*:1])[C@H]1C[C@H]1c1ccco1
C[C@@H](CNC(=O)CSc1ccncc1)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CNC(=O)CSc1ccncc1)O[*:1]
C[C@@H](CNC(=O)CSc1ccncc1)Oc1ccc(Cl)cc1 c1cc(ccn1)S[*:1] C[C@@H](CNC(=O)C[*:1])Oc1ccc(Cl)cc1
C[C@@H](CNC(=O)CSc1ccncc1)Oc1ccc(Cl)cc1 c1cc(ccn1)[*:1] C[C@@H](CNC(=O)CS[*:1])Oc1ccc(Cl)cc1
C/[NH+]=C(/NC[C@@H]1C[C@@H]1c1ccccc1)NC1CCN(c2ccc(C)c[nH+]2)CC1 c1ccc(cc1)[C@H]1C[C@H]1[*:1] C/[NH+]=C(/NC[*:1])NC1CCN(CC1)c1ccc(C)c[nH+]1
C/[NH+]=C(/NC[C@@H]1C[C@@H]1c1ccccc1)NC1CCN(c2ccc(C)c[nH+]2)CC1 c1ccc(cc1)[*:1] C/[NH+]=C(/NC[C@@H]1C[C@H]1[*:1])NC1CCN(CC1)c1ccc(C)c[nH+]1
CCOC(=O)[C@H]1NCCc2ccccc21 CCOC(=O)[*:1] c1ccc2c(c1)CCN[C@@H]2[*:1]
CC(C)(C)c1ccc(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1 CC(C)(C)[*:1] N#Cc1cc(ccc1F)NC(=O)C(=O)c1ccc(cc1)[*:1]
CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1 CC(C)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1ccc(cc1)NC(=O)c1cccs1
CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1 O=C(N[*:1])c1cccs1 CC(C)[C@@H](CNC(=O)c1ccc(cc1)[*:1])N1CCOCC1
CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@@H](CNC(=O)c1ccc(cc1)NC(=O)c1cccs1)[*:1]
CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)N1CCOCC1 c1csc(c1)[*:1] CC(C)[C@@H](CNC(=O)c1ccc(cc1)NC(=O)[*:1])N1CCOCC1
COc1cc(C)c(SCC(=O)N[C@H](C)c2ccco2)cc1OC c1coc(c1)[*:1] COc1cc(C)c(cc1OC)SCC(=O)N[C@H](C)[*:1]
COc1cc(C)c(SCC(=O)N[C@H](C)c2ccco2)cc1OC C[C@H](c1ccco1)[*:1] COc1cc(C)c(cc1OC)SCC(=O)N[*:1]
Cc1cc(C)c2nc(N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)sc2c1 c1cc2OCOc2cc1[*:1] Cc1cc(C)c2nc(sc2c1)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1cc(C)c2nc(N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)sc2c1 c1cc2OCOc2cc1C[*:1] Cc1cc(C)c2nc(sc2c1)N1CCC[C@H](C1)C(=O)N[*:1]
COc1cc(C[NH2+]C[C@@H]2CCO[C@@H]2c2cnn(C)c2)cc2c1OCO2 Cn1cc(cn1)[*:1] COc1cc(cc2OCOc12)C[NH2+]C[C@@H]1CCO[C@H]1[*:1]
O=c1n(Cc2cc(F)cc(F)c2)nc2c(-c3nc(-c4ccccc4)no3)cccn12 Fc1cc(F)cc(c1)[*:1] O=c1n(C[*:1])nc2c(cccn12)-c1nc(no1)-c1ccccc1
O=c1n(Cc2cc(F)cc(F)c2)nc2c(-c3nc(-c4ccccc4)no3)cccn12 c1ccc(cc1)[*:1] O=c1n(Cc2cc(F)cc(F)c2)nc2c(cccn12)-c1nc(no1)[*:1]
O=c1n(Cc2cc(F)cc(F)c2)nc2c(-c3nc(-c4ccccc4)no3)cccn12 Fc1cc(F)cc(c1)C[*:1] O=c1n(nc2c(cccn12)-c1nc(no1)-c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 Cc1ccnc(n1)[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)CS(=O)(=O)[*:1]
c1cnc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)nc1 c1cnc(nc1)[*:1] c1ccn2cc(CN3CCN(CC3)[*:1])[nH+]c2c1
C[C@@H](c1ccncc1)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 C1CCC(C1)[*:1] C[C@@H](c1ccncc1)N1CCC(CC1)[NH2+]C1CCN(CC1)[*:1]
C[C@@H](c1ccncc1)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 C[C@@H](c1ccncc1)[*:1] C1CCC(C1)N1CCC(CC1)[NH2+]C1CCN(CC1)[*:1]
C[C@@H](c1ccncc1)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 c1cc(ccn1)[*:1] C[C@@H](N1CCC(CC1)[NH2+]C1CCN(CC1)C1CCCC1)[*:1]
N#Cc1ccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)CN1CCN(CC1)c1ccc(cn1)[*:1]
N#Cc1ccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 N#Cc1ccc(cc1)[*:1] FC(F)(F)c1ccc(nc1)N1CCN(CC1)C[*:1]
Cc1cccc(CS(=O)(=O)N2CCN(c3c(C)n[nH]c3C)CC2)c1 Cc1cccc(c1)C[*:1] Cc1n[nH]c(C)c1N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(CS(=O)(=O)N2CCN(c3c(C)n[nH]c3C)CC2)c1 Cc1cccc(c1)[*:1] Cc1n[nH]c(C)c1N1CCN(CC1)S(=O)(=O)C[*:1]
Cc1cccc(CS(=O)(=O)N2CCN(c3c(C)n[nH]c3C)CC2)c1 Cc1n[nH]c(C)c1[*:1] Cc1cccc(c1)CS(=O)(=O)N1CCN(CC1)[*:1]
COc1ccc(C)cc1NC[C@@H](O)Cn1nnnc1-c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC[C@@H](O)Cn1nnnc1[*:1]
Nc1nonc1-c1noc(NCc2ccccn2)n1 c1ccc(nc1)[*:1] Nc1nonc1-c1noc(n1)NC[*:1]
Nc1nonc1-c1noc(NCc2ccccn2)n1 Nc1nonc1[*:1] c1ccc(CNc2nc(no2)[*:1])nc1
COc1ccc(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)cc1OC COc1ccc(cc1OC)[*:1] O=C(CN1C(=O)N(S(=O)(=O)c2ccccc21)[*:1])NCc1ccccc1
COc1ccc(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)cc1OC O=C(NCc1ccccc1)[*:1] COc1ccc(cc1OC)N1C(=O)N(C[*:1])c2ccccc2S1(=O)=O
COc1ccc(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)N1C(=O)N(CC(=O)N[*:1])c2ccccc2S1(=O)=O
COc1ccc(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)N1C(=O)N(CC(=O)NC[*:1])c2ccccc2S1(=O)=O
COc1ccc(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)cc1OC O=C(C[*:1])NCc1ccccc1 COc1ccc(cc1OC)N1C(=O)N(c2ccccc2S1(=O)=O)[*:1]
NC(=O)CC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 NC(=O)C[*:1] O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(CC1)[*:1]
NC(=O)CC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 NC(=O)[*:1] O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(CC1)C[*:1]
NC(=O)CC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] NC(=O)CC1CCN(CC1)C(=O)CNc1ccccc1[*:1]
CC(C)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)cc1 CC(C)c1ccc(cc1)[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)N[*:1])[C@H]1c1cn(C)c2ccccc12
CC(C)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)cc1 CC(C)[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(cc2)[*:1])[C@H]1c1cn(C)c2ccccc12
CC(C)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)cc1 Cn1cc(c2ccccc21)[*:1] CC(C)c1ccc(cc1)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1[*:1]
CCCN(CC)C(=O)c1cc([N+](=O)[O-])ccc1I O=[N+]([O-])[*:1] CCCN(CC)C(=O)c1cc(ccc1I)[*:1]
CCCN(CC)C(=O)c1cc([N+](=O)[O-])ccc1I CCC[*:1] CCN(C(=O)c1cc(ccc1I)[N+](=O)[O-])[*:1]
C[C@H](CCn1cncn1)[NH2+]C[C@@H]1C[NH+]2CCN1CC2 c1ncn(C[*:1])n1 C[C@H](C[*:1])[NH2+]C[C@@H]1C[NH+]2CCN1CC2
C[C@H](CCn1cncn1)[NH2+]C[C@@H]1C[NH+]2CCN1CC2 c1ncn(n1)[*:1] C[C@H](CC[*:1])[NH2+]C[C@@H]1C[NH+]2CCN1CC2
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H](c1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H](C1CCCCC1)[*:1]
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H](c1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H](c1ccccc1)[*:1]
O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H](c1ccccc1)C1CCCCC1 C1CO[C@@H](C1)[*:1] O=C(NNC(=O)[*:1])N[C@@H](c1ccccc1)C1CCCCC1
c1cncc(CN(CCn2cncn2)C[C@H]2CCCO2)c1 c1cncc(c1)C[*:1] c1ncn(CCN(C[C@H]2CCCO2)[*:1])n1
c1cncc(CN(CCn2cncn2)C[C@H]2CCCO2)c1 c1ncn(C[*:1])n1 c1cncc(c1)CN(C[C@H]1CCCO1)C[*:1]
c1cncc(CN(CCn2cncn2)C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] c1cncc(c1)CN(CCn1cncn1)C[*:1]
c1cncc(CN(CCn2cncn2)C[C@H]2CCCO2)c1 c1ncn(CC[*:1])n1 c1cncc(c1)CN(C[C@H]1CCCO1)[*:1]
c1cncc(CN(CCn2cncn2)C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] c1cncc(c1)CN(CCn1cncn1)[*:1]
c1cncc(CN(CCn2cncn2)C[C@H]2CCCO2)c1 c1ncn(n1)[*:1] c1cncc(c1)CN(CC[*:1])C[C@H]1CCCO1
c1cncc(CN(CCn2cncn2)C[C@H]2CCCO2)c1 c1cncc(c1)[*:1] c1ncn(CCN(C[C@H]2CCCO2)C[*:1])n1
CC[NH2+][C@@H](CSCC)Cc1ccc(O)cc1 CCS[*:1] CC[NH2+][C@H](Cc1ccc(O)cc1)C[*:1]
CC[NH2+][C@@H](CSCC)Cc1ccc(O)cc1 CCSC[*:1] CC[NH2+][C@@H](Cc1ccc(O)cc1)[*:1]
CC(C)CC(=O)Nc1ccc2c(c1)nc(CCNC(=O)[C@H]1COc3ccccc3O1)n2C CC(C)[*:1] Cn1c(CCNC(=O)[C@H]2COc3ccccc3O2)nc2cc(ccc21)NC(=O)C[*:1]
CC(C)CC(=O)Nc1ccc2c(c1)nc(CCNC(=O)[C@H]1COc3ccccc3O1)n2C CC(C)C[*:1] Cn1c(CCNC(=O)[C@H]2COc3ccccc3O2)nc2cc(ccc21)NC(=O)[*:1]
CC(C)CC(=O)Nc1ccc2c(c1)nc(CCNC(=O)[C@H]1COc3ccccc3O1)n2C CC(C)CC(=O)N[*:1] Cn1c(CCNC(=O)[C@H]2COc3ccccc3O2)nc2cc(ccc21)[*:1]
O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)N[*:1]
O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)NC[*:1]
Cc1cc(C)nc(NO[S@](=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)n1 Cc1cc(C)nc(n1)[*:1] O=C1Nc2ccccc2/C1=N/c1ccc(cc1)[S@@](=O)ON[*:1]
CCOC(=O)[C@@H](C)N(C)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H](C)N(C)c1nc(cs1)[*:1]
CCOC(=O)[C@@H](C)N(C)c1nc(-c2ccccc2)cs1 CCOC(=O)[*:1] C[C@@H](N(C)c1nc(cs1)-c1ccccc1)[*:1]
COc1ccc(-c2nc(N)nc(-c3cc(C)ccc3O)c2Cl)cc1 COc1ccc(cc1)[*:1] Cc1ccc(O)c(c1)-c1nc(N)nc(c1Cl)[*:1]
COc1ccc(-c2nc(N)nc(-c3cc(C)ccc3O)c2Cl)cc1 Cc1ccc(O)c(c1)[*:1] COc1ccc(cc1)-c1nc(N)nc(c1Cl)[*:1]
CC[NH+](CC)[C@H](CNC(=O)c1cnc2onc(C)c2c1)c1ccsc1 c1cc(cs1)[*:1] CC[NH+](CC)[C@H](CNC(=O)c1cnc2onc(C)c2c1)[*:1]
O=C(Cn1nc2c(Sc3ccc(F)cc3)nccn2c1=O)c1ccc(F)cc1 Fc1ccc(cc1)S[*:1] O=C(Cn1nc2c(nccn2c1=O)[*:1])c1ccc(F)cc1
O=C(Cn1nc2c(Sc3ccc(F)cc3)nccn2c1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1nc2c(nccn2c1=O)Sc1ccc(F)cc1)[*:1]
O=C(Cn1nc2c(Sc3ccc(F)cc3)nccn2c1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1nc2c(nccn2c1=O)S[*:1])c1ccc(F)cc1
O=C(Cn1nc2c(Sc3ccc(F)cc3)nccn2c1=O)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=c1n(C[*:1])nc2c(nccn12)Sc1ccc(F)cc1
COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl COC[C@@H](O)C[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(Cl)c(Cl)c1Cl
COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl COC[C@@H](O)[*:1] C[C@@H]([NH2+]CC[*:1])c1ccc(Cl)c(Cl)c1Cl
COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl COC[*:1] C[C@@H]([NH2+]CC[C@H](O)[*:1])c1ccc(Cl)c(Cl)c1Cl
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1Cl O=[N+]([O-])[*:1] Cc1nc(cn1CC(=O)Nc1ccccc1Cl)[*:1]
CNS(=O)(=O)c1cccc(CNC(=O)NCc2ccc3c(c2)OCO3)c1 CNS(=O)(=O)[*:1] O=C(NCc1cccc(c1)[*:1])NCc1ccc2OCOc2c1
Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1c(nnc1[*:1])SCC(=O)N1CCOCC1
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1nc2c(s1)CCc1ccccc1-2 O=[N+]([O-])[*:1] O=S(=O)([N-]c1nc2-c3ccccc3CCc2s1)c1ccccc1[*:1]
CC(C)c1nnc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 CC(C)c1nnc(s1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1cccc(Cl)c1)C(=O)N[*:1]
CC(C)c1nnc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 Clc1cccc(c1)[*:1] CC(C)c1nnc(NC(=O)[C@@H](C)NC(=O)N2CCN(CC2)[*:1])s1
CC(C)c1nnc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 CC(C)[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1cccc(Cl)c1)C(=O)Nc1nnc(s1)[*:1]
Cc1occc1CNC(=O)CCc1nc(-c2ncccn2)no1 Cc1occc1C[*:1] O=C(CCc1nc(no1)-c1ncccn1)N[*:1]
Cc1occc1CNC(=O)CCc1nc(-c2ncccn2)no1 Cc1occc1[*:1] O=C(CCc1nc(no1)-c1ncccn1)NC[*:1]
Cc1occc1CNC(=O)CCc1nc(-c2ncccn2)no1 c1cnc(nc1)[*:1] Cc1occc1CNC(=O)CCc1nc(no1)[*:1]
CCCOc1cccc([C@@H]2NC(=O)[C@H]3CCCCN32)c1 CCCO[*:1] O=C1N[C@@H](c2cccc(c2)[*:1])N2CCCC[C@H]12
CCCOc1cccc([C@@H]2NC(=O)[C@H]3CCCCN32)c1 CCC[*:1] O=C1N[C@@H](c2cccc(c2)O[*:1])N2CCCC[C@H]12
C[C@@H](O)C[NH2+][C@H]1CSCC(C)(C)C1 C[C@@H](O)C[*:1] CC1(C)CSC[C@@H](C1)[NH2+][*:1]
C[C@@H](O)C[NH2+][C@H]1CSCC(C)(C)C1 C[C@@H](O)[*:1] CC1(C)CSC[C@@H](C1)[NH2+]C[*:1]
Cc1ccc(/C=C/C(=O)NCc2ccc(C(N)=O)o2)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1ccc(CNC(=O)C=C[*:1])o1
Cc1ccc(/C=C/C(=O)NCc2ccc(C(N)=O)o2)cc1 NC(=O)[*:1] Cc1ccc(/C=C/C(=O)NCc2ccc(o2)[*:1])cc1
CC(C)c1cc(C(=O)NC[C@@]2(O)CCSC2)n[nH]1 CC(C)[*:1] O=C(NC[C@@]1(O)CCSC1)c1cc([nH]n1)[*:1]
Cc1ccc(-c2nc(C(=O)N3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)cs2)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1CN(C(=O)c2csc(n2)[*:1])c2ccccc2O1)N1CCOCC1
Cc1ccc(-c2nc(C(=O)N3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)cs2)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)-c1nc(cs1)C(=O)N1C[C@@H](Oc2ccccc21)[*:1]
CCOc1ccc2c(c1)[C@@H](N[C@@H]1CCN(C3CCCCC3)C1=O)CCO2 CCO[*:1] O=C1[C@@H](CCN1C1CCCCC1)N[C@H]1CCOc2ccc(cc21)[*:1]
CCOc1ccc2c(c1)[C@@H](N[C@@H]1CCN(C3CCCCC3)C1=O)CCO2 C1CCC(CC1)[*:1] CCOc1ccc2OCC[C@H](N[C@@H]3CCN(C3=O)[*:1])c2c1
CCN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCN(C(=O)c1cnn(c1)C[*:1])[C@@H]1CCS(=O)(=O)C1
CCN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] CCN(C(=O)c1cnn(c1)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccc(-n2c([O-])nc3nc(NCCc4cccs4)ncc3c2=O)c(C)c1 c1csc(c1)[*:1] Cc1ccc(c(C)c1)-n1c([O-])nc2nc(ncc2c1=O)NCC[*:1]
Cc1ccc(-n2c([O-])nc3nc(NCCc4cccs4)ncc3c2=O)c(C)c1 c1csc(c1)CC[*:1] Cc1ccc(c(C)c1)-n1c([O-])nc2nc(ncc2c1=O)N[*:1]
Cc1ccc(-n2c([O-])nc3nc(NCCc4cccs4)ncc3c2=O)c(C)c1 c1csc(c1)C[*:1] Cc1ccc(c(C)c1)-n1c([O-])nc2nc(ncc2c1=O)NC[*:1]
Cc1ccc(-n2c([O-])nc3nc(NCCc4cccs4)ncc3c2=O)c(C)c1 c1csc(c1)CCN[*:1] Cc1ccc(c(C)c1)-n1c([O-])nc2nc(ncc2c1=O)[*:1]
Cc1ccc(-n2c([O-])nc3nc(NCCc4cccs4)ncc3c2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=c1c2cnc(nc2nc([O-])n1[*:1])NCCc1cccs1
COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](c1ccccn1)c1ccccc1OC COc1ccccc1[*:1] COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](c1ccccn1)[*:1]
COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](c1ccccn1)c1ccccc1OC c1ccc(nc1)[*:1] COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1OC)[*:1]
COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](c1ccccn1)c1ccccc1OC COC(=O)[*:1] COc1ccccc1[C@@H](NC(=O)[C@H]1C[C@@H]1[*:1])c1ccccn1
CCC[NH2+][C@@H](C)C1CCN(c2ccc(C(N)=O)nn2)CC1 NC(=O)[*:1] CCC[NH2+][C@@H](C)C1CCN(CC1)c1ccc(nn1)[*:1]
CCC[NH2+][C@@H](C)C1CCN(c2ccc(C(N)=O)nn2)CC1 CCC[*:1] C[C@H]([NH2+][*:1])C1CCN(CC1)c1ccc(nn1)C(N)=O
Cc1ccc2c(CNc3ccccc3C(=O)N3CCCCC3)cc(=O)oc2c1C O=C(N1CCCCC1)[*:1] Cc1ccc2c(cc(=O)oc2c1C)CNc1ccccc1[*:1]
O=C(NCc1ccco1)Nc1ccc(NC(=O)N2CCCC2)cc1 c1coc(c1)[*:1] O=C(NC[*:1])Nc1ccc(cc1)NC(=O)N1CCCC1
O=C(NCc1ccco1)Nc1ccc(NC(=O)N2CCCC2)cc1 O=C(N[*:1])N1CCCC1 O=C(NCc1ccco1)Nc1ccc(cc1)[*:1]
O=C(NCc1ccco1)Nc1ccc(NC(=O)N2CCCC2)cc1 c1coc(c1)C[*:1] O=C(Nc1ccc(cc1)NC(=O)N1CCCC1)N[*:1]
CC(C)NC(=O)CCCC(=O)N1CCC1 CC(C)[*:1] O=C(CCCC(=O)N1CCC1)N[*:1]
Cc1nc(Cc2nc(-c3ccc4c(c3)CCC4)cs2)cs1 Cc1nc(cs1)C[*:1] c1cc2CCCc2cc1-c1csc(n1)[*:1]
Cc1nc(Cc2nc(-c3ccc4c(c3)CCC4)cs2)cs1 Cc1nc(cs1)[*:1] c1cc2CCCc2cc1-c1csc(C[*:1])n1
CCc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 Cc1ccc(cc1C)[*:1] CCc1ccc(cc1)NC(=O)Cn1cnc2c(cnn2[*:1])c1=O
CCc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n(cnc21)CC(=O)N[*:1]
Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccsc2)cs1 Cc1nc(cs1)[*:1] O=C(c1ccsc1)N1CCc2cc(ccc21)[*:1]
Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccsc2)cs1 c1cc(cs1)[*:1] Cc1nc(cs1)-c1ccc2c(c1)CCN2C(=O)[*:1]
COc1cc(C)ccc1NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] COc1cc(C)ccc1NCC(=O)Nc1c(C)nn(c1C)[*:1]
COc1cc(C)ccc1NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C COc1cc(C)ccc1[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[*:1]
CC[NH2+][C@H](CCC1CC1)[C@]1(C)CCCO1 C1CC1CC[*:1] CC[NH2+][C@H]([C@]1(C)CCCO1)[*:1]
CC[NH2+][C@H](CCC1CC1)[C@]1(C)CCCO1 C1CC1C[*:1] CC[NH2+][C@H](C[*:1])[C@]1(C)CCCO1
CC[NH2+][C@H](CCC1CC1)[C@]1(C)CCCO1 C1CC1[*:1] CC[NH2+][C@H](CC[*:1])[C@]1(C)CCCO1
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(F)c(Br)c1 Fc1ccc(cc1Br)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(F)c(Br)c1 CC(C)(C)[*:1] O=C(NCCc1ccc(F)c(Br)c1)[C@H]1CCCN1C(=O)O[*:1]
O=S(=O)([N-]c1ccc(-c2cn3cccnc3n2)cc1)c1cccs1 c1csc(c1)[*:1] O=S(=O)([N-]c1ccc(cc1)-c1cn2cccnc2n1)[*:1]
CCCCCn1nc(C(=O)NNC(=O)NC2CCCC2)c2ccccc2c1=O CCCCC[*:1] O=C(NNC(=O)c1nn(c(=O)c2ccccc12)[*:1])NC1CCCC1
CCCCCn1nc(C(=O)NNC(=O)NC2CCCC2)c2ccccc2c1=O CCCC[*:1] O=C(NNC(=O)c1nn(C[*:1])c(=O)c2ccccc12)NC1CCCC1
CCCCCn1nc(C(=O)NNC(=O)NC2CCCC2)c2ccccc2c1=O C1CCC(C1)[*:1] CCCCCn1nc(C(=O)NNC(=O)N[*:1])c2ccccc2c1=O
CCCCCn1nc(C(=O)NNC(=O)NC2CCCC2)c2ccccc2c1=O CCC[*:1] O=C(NNC(=O)c1nn(CC[*:1])c(=O)c2ccccc12)NC1CCCC1
Cc1ccc(C2=NN(C(=O)CSc3nnc(C(F)(F)F)n3N)[C@H](c3ccco3)C2)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1C(F)(F)F)SCC(=O)N1N=C(C[C@H]1c1ccco1)[*:1]
Cc1ccc(C2=NN(C(=O)CSc3nnc(C(F)(F)F)n3N)[C@H](c3ccco3)C2)cc1 Nn1c(nnc1[*:1])C(F)(F)F Cc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C(=O)CS[*:1]
Cc1ccc(C2=NN(C(=O)CSc3nnc(C(F)(F)F)n3N)[C@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)CSc1nnc(n1N)C(F)(F)F)[*:1]
Cc1ccc(C2=NN(C(=O)CSc3nnc(C(F)(F)F)n3N)[C@H](c3ccco3)C2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C(=O)CSc1nnc(n1N)[*:1]
Cc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1Cl O=[N+]([O-])[*:1] Cc1ccc(cc1Cl)Nc1ccc(cn1)[*:1]
CCOCCC1(C(=O)/N=C2/NCCS2)CCCC1 CCOCC[*:1] O=C(/N=C1/NCCS1)C1(CCCC1)[*:1]
CCOCCC1(C(=O)/N=C2/NCCS2)CCCC1 CCOC[*:1] O=C(/N=C1/NCCS1)C1(CCCC1)C[*:1]
CCOCCC1(C(=O)/N=C2/NCCS2)CCCC1 CCO[*:1] O=C(/N=C1/NCCS1)C1(CCCC1)CC[*:1]
C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 C=CC[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(cc1)O[*:1]
C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 C=CCO[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(cc1)[*:1]
C[C@H]1C[C@H](NC(=O)c2cccc(F)c2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1[*:1])NC(=O)c1cccc(F)c1
C[C@H]1C[C@H](NC(=O)c2cccc(F)c2)CN1c1ccccc1 Fc1cccc(c1)[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)[*:1]
CCC[C@@H]1C[C@@](O)(CC[NH3+])CCO1 [NH3+]CC[*:1] CCC[C@@H]1C[C@@](O)(CCO1)[*:1]
CCC[C@@H]1C[C@@](O)(CC[NH3+])CCO1 CCC[*:1] [NH3+]CC[C@@]1(O)CCO[C@@H](C1)[*:1]
NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2)C1 NC(=O)[*:1] O=C(CCOc1ccc(Cl)cc1)N1CCC[C@H](C1)[*:1]
NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)CCO[*:1]
CCOC(=O)C1(C)CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)C1CCC(CC1)c1ccccc1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)C1CCC(CC1)[*:1]
CCC1(CC)[C@@H](NC(=O)c2ccc(Cn3ccccc3=O)o2)[C@H](C)[C@@H]1OC O=c1ccccn1C[*:1] CCC1(CC)[C@@H](NC(=O)c2ccc(o2)[*:1])[C@H](C)[C@@H]1OC
CCC1(CC)[C@@H](NC(=O)c2ccc(Cn3ccccc3=O)o2)[C@H](C)[C@@H]1OC O=c1ccccn1[*:1] CCC1(CC)[C@@H](NC(=O)c2ccc(C[*:1])o2)[C@H](C)[C@@H]1OC
COCCn1nc(C)c(NC(=O)NC[C@H]2C[C@]23CCc2ccccc23)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)NC[C@H]1C[C@]12CCc1ccccc12)[*:1]
COCCn1nc(C)c(NC(=O)NC[C@H]2C[C@]23CCc2ccccc23)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)NC[C@H]1C[C@]12CCc1ccccc12
C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1ccc(C)cc1C NC(=O)[*:1] C[NH2+][C@@]1(CCC[C@@H]1CCSc1ccc(C)cc1C)[*:1]
CC(C)c1ocnc1CN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 CC(C)c1ocnc1[*:1] C[C@](NC[*:1])(C(N)=O)c1cccc(c1)C(F)(F)F
CC(C)c1ocnc1CN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)c1ocnc1CN[C@@](C)(C(N)=O)c1cccc(c1)[*:1]
CC(C)c1ocnc1CN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 CC(C)[*:1] C[C@](NCc1ncoc1[*:1])(C(N)=O)c1cccc(c1)C(F)(F)F
CC(C)c1ocnc1CN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 NC(=O)[*:1] CC(C)c1ocnc1CN[C@@](C)(c1cccc(c1)C(F)(F)F)[*:1]
Cc1cccc([C@H](O)CN[C@H]2CCc3ccc(F)cc32)c1 Cc1cccc(c1)[*:1] O[C@H](CN[C@H]1CCc2ccc(F)cc21)[*:1]
O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CC(=O)N(CC2CC2)C1 C1CN(CCO1)[*:1] O=C(NCc1ccccc1C[*:1])[C@H]1CC(=O)N(CC2CC2)C1
O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CC(=O)N(CC2CC2)C1 C1CN(CCO1)C[*:1] O=C(NCc1ccccc1[*:1])[C@H]1CC(=O)N(CC2CC2)C1
C[C@H](CCS)CC[NH+]1CCC(C)(C)CC1 SCC[*:1] C[C@H](CC[NH+]1CCC(C)(C)CC1)[*:1]
C[C@H](CCS)CC[NH+]1CCC(C)(C)CC1 C[C@H](CCS)[*:1] CC1(C)CC[NH+](CC1)CC[*:1]
O=C(Cc1ccccc1Cl)N1CCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] O=C(Cc1ccccc1Cl)N1CCN(CC1)[*:1]
O=C(Cc1ccccc1Cl)N1CCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] O=C(Cc1ccccc1Cl)N1CCN(CC1)C[*:1]
O=C(Cc1ccccc1Cl)N1CCN(CC(F)(F)F)CC1 Clc1ccccc1[*:1] O=C(C[*:1])N1CCN(CC1)CC(F)(F)F
CCC[NH2+][C@H](C(CC)CC)[C@H]1COCCO1 CCC(CC)[*:1] CCC[NH2+][C@H]([C@H]1COCCO1)[*:1]
CCC[NH2+][C@H](C(CC)CC)[C@H]1COCCO1 CCC[*:1] CCC(CC)[C@@H]([NH2+][*:1])[C@H]1COCCO1
CCOC(=O)c1ccoc1COC(=O)c1cc(=O)[nH]c2ccccc12 CCOC(=O)[*:1] O=C(OCc1occc1[*:1])c1cc(=O)[nH]c2ccccc12
CCn1ncc2c(C(=O)NCc3cnn(C)c3C)cc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)NCc1cnn(C)c1C
CCn1ncc2c(C(=O)NCc3cnn(C)c3C)cc(-c3ccccc3)nc21 Cc1c(cnn1C)[*:1] CCn1ncc2c(cc(nc21)-c1ccccc1)C(=O)NC[*:1]
CCn1ncc2c(C(=O)NCc3cnn(C)c3C)cc(-c3ccccc3)nc21 Cc1c(cnn1C)C[*:1] CCn1ncc2c(cc(nc21)-c1ccccc1)C(=O)N[*:1]
CC(C)n1cc(NC(=O)c2ccc(Br)c(F)c2)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)[*:1])c1ccc(Br)c(F)c1
Cn1c(SCc2ccc3c(c2)OCO3)nc2c(sc(=S)n2-c2ccc(Cl)cc2)c1=O c1cc2OCOc2cc1[*:1] Cn1c(nc2c(sc(=S)n2-c2ccc(Cl)cc2)c1=O)SC[*:1]
Cn1c(SCc2ccc3c(c2)OCO3)nc2c(sc(=S)n2-c2ccc(Cl)cc2)c1=O c1cc2OCOc2cc1C[*:1] Cn1c(nc2c(sc(=S)n2-c2ccc(Cl)cc2)c1=O)S[*:1]
Cn1c(SCc2ccc3c(c2)OCO3)nc2c(sc(=S)n2-c2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] Cn1c(nc2c(sc(=S)n2[*:1])c1=O)SCc1ccc2OCOc2c1
COc1cccc(CNC(=O)c2scnc2C)c1 Cc1ncsc1[*:1] COc1cccc(c1)CNC(=O)[*:1]
CC[C@H](NC(=O)N1CCCN(c2nccs2)CC1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@H](NC(=O)N1CCCN(CC1)c1nccs1)[*:1]
CC[C@H](NC(=O)N1CCCN(c2nccs2)CC1)c1ccc(OC)cc1 c1csc(n1)[*:1] CC[C@H](NC(=O)N1CCCN(CC1)[*:1])c1ccc(cc1)OC
COc1ccc(C(=O)Nc2cnc(N3CCCCCC3)nc2)cn1 C1CCCN(CC1)[*:1] COc1ccc(cn1)C(=O)Nc1cnc(nc1)[*:1]
COc1ccc(C(=O)Nc2cnc(N3CCCCCC3)nc2)cn1 COc1ccc(cn1)[*:1] O=C(Nc1cnc(nc1)N1CCCCCC1)[*:1]
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1c2ccccc2S(=O)(=O)N1CC(=O)N(Cc1ccccc1)[*:1]
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1)c1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(C[*:1])c1ccc(Br)cc1
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1)c1ccc(Br)cc1 c1ccc(cc1)C[*:1] O=C1c2ccccc2S(=O)(=O)N1CC(=O)N(c1ccc(Br)cc1)[*:1]
Cc1cc(C(=O)Nc2cccc(C(=O)NCC(=O)[O-])c2)no1 O=C([O-])[*:1] Cc1cc(no1)C(=O)Nc1cccc(c1)C(=O)NC[*:1]
Cc1cc(C(=O)Nc2cccc(C(=O)NCC(=O)[O-])c2)no1 O=C([O-])CNC(=O)[*:1] Cc1cc(no1)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(C(=O)Nc2cccc(C(=O)NCC(=O)[O-])c2)no1 Cc1cc(no1)[*:1] O=C([O-])CNC(=O)c1cccc(c1)NC(=O)[*:1]
Cc1cc(C(=O)Nc2cccc(C(=O)NCC(=O)[O-])c2)no1 O=C([O-])C[*:1] Cc1cc(no1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1ccc2cc(CCNC(=O)/C=C\c3ccccc3)c(=O)[nH]c2c1C C(=C[*:1])c1ccccc1 Cc1ccc2cc(CCNC(=O)[*:1])c(=O)[nH]c2c1C
Cc1ccc2cc(CCNC(=O)/C=C\c3ccccc3)c(=O)[nH]c2c1C c1ccc(cc1)[*:1] Cc1ccc2cc(CCNC(=O)C=C[*:1])c(=O)[nH]c2c1C
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1C CCOC(=O)[*:1] CC1NC(=S)N[C@@H](C=1[*:1])c1ccccc1C
CCC(=O)N1CC[C@H](C(N)=O)c2ccccc21 NC(=O)[*:1] CCC(=O)N1CC[C@H](c2ccccc21)[*:1]
Cc1ccc(CN2C[C@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2C[C@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CC(=O)N(C1)C[*:1]
C[C@H]1CN(C(=O)CN2CCN(c3ncccn3)CC2)C[C@H](C)O1 c1cnc(nc1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)CN1CCN(CC1)[*:1]
CCC[C@@H]1CCCN([C@@H](C[NH3+])c2cnn(C)c2C)CC1 CCC[*:1] Cc1c(cnn1C)[C@H](C[NH3+])N1CCC[C@H](CC1)[*:1]
CCc1cc(Oc2cc(N(C)C)ccc2[N+](=O)[O-])n2ncnc2n1 CN(C)[*:1] CCc1cc(Oc2cc(ccc2[N+](=O)[O-])[*:1])n2ncnc2n1
CCc1cc(Oc2cc(N(C)C)ccc2[N+](=O)[O-])n2ncnc2n1 O=[N+]([O-])[*:1] CCc1cc(Oc2cc(ccc2[*:1])N(C)C)n2ncnc2n1
CCC([NH3+])(CC)C(=O)N1CCC[NH+](CC(=O)[O-])CC1 O=C([O-])[*:1] CCC([NH3+])(CC)C(=O)N1CCC[NH+](CC1)C[*:1]
CCC([NH3+])(CC)C(=O)N1CCC[NH+](CC(=O)[O-])CC1 CCC([NH3+])(CC)[*:1] O=C([O-])C[NH+]1CCCN(CC1)C(=O)[*:1]
CCC([NH3+])(CC)C(=O)N1CCC[NH+](CC(=O)[O-])CC1 O=C([O-])C[*:1] CCC([NH3+])(CC)C(=O)N1CCC[NH+](CC1)[*:1]
COc1ccccc1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 COc1ccccc1[*:1] Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)CCNC(=O)N[*:1]
COc1ccccc1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] COc1ccccc1NC(=O)NCCS(=O)(=O)N1CCN(CC1)[*:1]
COc1ccc(OC)c(CN(C)C(=O)NCCn2cccc2)c1 c1ccn(c1)CC[*:1] COc1ccc(OC)c(c1)CN(C)C(=O)N[*:1]
COc1ccc(OC)c(CN(C)C(=O)NCCn2cccc2)c1 c1ccn(c1)C[*:1] COc1ccc(OC)c(c1)CN(C)C(=O)NC[*:1]
COc1ccc(OC)c(CN(C)C(=O)NCCn2cccc2)c1 c1ccn(c1)[*:1] COc1ccc(OC)c(c1)CN(C)C(=O)NCC[*:1]
CN(C)c1ccc(-c2ccc(OC3CC[NH+](CCc4ccccn4)CC3)cc2)c[nH+]1 CN(C)[*:1] c1ccc(CC[NH+]2CCC(CC2)Oc2ccc(cc2)-c2ccc([nH+]c2)[*:1])nc1
CN(C)c1ccc(-c2ccc(OC3CC[NH+](CCc4ccccn4)CC3)cc2)c[nH+]1 c1ccc(CC[*:1])nc1 CN(C)c1ccc(c[nH+]1)-c1ccc(cc1)OC1CC[NH+](CC1)[*:1]
CN(C)c1ccc(-c2ccc(OC3CC[NH+](CCc4ccccn4)CC3)cc2)c[nH+]1 CN(C)c1ccc(c[nH+]1)[*:1] c1ccc(CC[NH+]2CCC(CC2)Oc2ccc(cc2)[*:1])nc1
CN(C)c1ccc(-c2ccc(OC3CC[NH+](CCc4ccccn4)CC3)cc2)c[nH+]1 c1ccc(C[*:1])nc1 CN(C)c1ccc(c[nH+]1)-c1ccc(cc1)OC1CC[NH+](CC1)C[*:1]
CN(C)c1ccc(-c2ccc(OC3CC[NH+](CCc4ccccn4)CC3)cc2)c[nH+]1 c1ccc(nc1)[*:1] CN(C)c1ccc(c[nH+]1)-c1ccc(cc1)OC1CC[NH+](CC1)CC[*:1]
COCc1nc(CN2CCN(c3ncccc3F)CC2)cs1 COC[*:1] Fc1cccnc1N1CCN(CC1)Cc1csc(n1)[*:1]
COCc1nc(CN2CCN(c3ncccc3F)CC2)cs1 Fc1cccnc1[*:1] COCc1nc(cs1)CN1CCN(CC1)[*:1]
CCc1nc(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)no1 CCc1nc(no1)[*:1] Cc1ccc(Cl)cc1NC(=O)c1ccc(cc1)[*:1]
CCc1nc(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)no1 Cc1ccc(Cl)cc1[*:1] CCc1nc(no1)-c1ccc(cc1)C(=O)N[*:1]
CC(C)[C@@H](C(N)=O)N1C[C@H](C)O[C@H](C)C1 NC(=O)[*:1] CC(C)[C@@H](N1C[C@H](C)O[C@H](C)C1)[*:1]
CC(C)[C@@H](C(N)=O)N1C[C@H](C)O[C@H](C)C1 CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@H](C(N)=O)[*:1]
O=C([O-])C1=CN=N[C@@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C([O-])C1=CN=N[C@H]1[*:1]
O=C([O-])C1=CN=N[C@@H]1[N+](=O)[O-] O=C([O-])[*:1] O=[N+]([O-])[C@H]1N=NC=C1[*:1]
Cc1cc(N)cc(C)c1S(=O)(=O)NCC1CCCC1 C1CCC(C1)C[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)N[*:1]
Cc1cc(N)cc(C)c1S(=O)(=O)NCC1CCCC1 C1CCC(C1)[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)NC[*:1]
O=C(c1cccn1Cc1ccccc1)N1CCO[C@@H]2CCCC[C@H]21 c1ccc(cc1)C[*:1] O=C(c1cccn1[*:1])N1CCO[C@@H]2CCCC[C@H]21
O=C(c1cccn1Cc1ccccc1)N1CCO[C@@H]2CCCC[C@H]21 c1ccc(cc1)[*:1] O=C(c1cccn1C[*:1])N1CCO[C@@H]2CCCC[C@H]21
COCCOc1c(Cl)cccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 COCC[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Nc1cccc(Cl)c1O[*:1]
COCCOc1c(Cl)cccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 COC[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Nc1cccc(Cl)c1OC[*:1]
COCCOc1c(Cl)cccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 COCCO[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Nc1cccc(Cl)c1[*:1]
O=c1oc2ccccc2n1Cc1coc(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] O=c1oc2ccccc2n1Cc1coc(n1)[*:1]
Cc1ccc(C(=O)Nc2nnc(C3CC3)o2)c(F)c1 C1CC1[*:1] Cc1ccc(C(=O)Nc2nnc(o2)[*:1])c(F)c1
COc1cccc2c1OCC(/C=C(/C#N)C(=O)NC1CCCC1)=C2 O=C(NC1CCCC1)[*:1] COc1cccc2C=C(C=C(C#N)[*:1])COc21
COc1cccc2c1OCC(/C=C(/C#N)C(=O)NC1CCCC1)=C2 C1CCC(C1)[*:1] COc1cccc2C=C(/C=C(/C#N)C(=O)N[*:1])COc21
Cc1n[nH]c(=O)c2c(NC(=O)CSc3ccc(S(=O)(=O)N4CCCC4)cn3)oc(C)c12 O=S(=O)(N1CCCC1)[*:1] Cc1n[nH]c(=O)c2c(NC(=O)CSc3ccc(cn3)[*:1])oc(C)c12
Cc1cc(O[C@@H](C)C(=O)OCC(F)(F)F)ccc1Cl FC(F)(F)[*:1] Cc1cc(ccc1Cl)O[C@@H](C)C(=O)OC[*:1]
Cc1cc(O[C@@H](C)C(=O)OCC(F)(F)F)ccc1Cl FC(F)(F)C[*:1] Cc1cc(ccc1Cl)O[C@@H](C)C(=O)O[*:1]
O=S(=O)(/N=C(\[O-])[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1CCCC[C@@H]1C(F)(F)F)[*:1]
O=S(=O)(/N=C(\[O-])[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)ccc1F FC(F)(F)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1CCCC[C@H]1[*:1])c1cc(F)ccc1F
CC(C)c1ccc([C@@H]2CCCN2C(=O)CNC(=O)NCc2ccco2)cc1 CC(C)[*:1] O=C(NCC(=O)N1CCC[C@H]1c1ccc(cc1)[*:1])NCc1ccco1
CC(C)c1ccc([C@@H]2CCCN2C(=O)CNC(=O)NCc2ccco2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCC[C@H]1[*:1])NCc1ccco1
CC(C)c1ccc([C@@H]2CCCN2C(=O)CNC(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] CC(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)CNC(=O)NC[*:1]
CC(C)c1ccc([C@@H]2CCCN2C(=O)CNC(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] CC(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)CNC(=O)N[*:1]
CCOC(=O)[C@H](CC)Sc1nnc2c(n1)[nH]c1ccccc12 CCOC(=O)[*:1] CC[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)[*:1]
O=C(CCCn1ccnn1)N1CCN(Cc2noc(-c3cccs3)n2)CC1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCN(CC1)Cc1noc(n1)-c1cccs1
O=C(CCCn1ccnn1)N1CCN(Cc2noc(-c3cccs3)n2)CC1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CCN(CC1)Cc1noc(n1)-c1cccs1
O=C(CCCn1ccnn1)N1CCN(Cc2noc(-c3cccs3)n2)CC1 c1cn(CCC[*:1])nn1 O=C(N1CCN(CC1)Cc1noc(n1)-c1cccs1)[*:1]
O=C(CCCn1ccnn1)N1CCN(Cc2noc(-c3cccs3)n2)CC1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCN(CC1)Cc1noc(n1)-c1cccs1
O=C(CCCn1ccnn1)N1CCN(Cc2noc(-c3cccs3)n2)CC1 c1csc(c1)[*:1] O=C(CCCn1ccnn1)N1CCN(CC1)Cc1noc(n1)[*:1]
Cc1c(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cnn1C(C)C Clc1cccc(c1)C[*:1] Cc1c(cnn1C(C)C)C(=O)N1CCN(CC1)[*:1]
Cc1c(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cnn1C(C)C Clc1cccc(c1)[*:1] Cc1c(cnn1C(C)C)C(=O)N1CCN(CC1)C[*:1]
Cc1c(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCN(CC1)Cc1cccc(Cl)c1
Cn1cc(S(=O)(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1C(N)=O NC(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)N1CCN(CC1)C[C@H]1CCCO1
Cn1cc(S(=O)(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1C(N)=O C1CO[C@H](C1)C[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N1CCN(CC1)[*:1]
Cn1cc(S(=O)(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1C(N)=O C1CO[C@H](C1)[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N1CCN(CC1)C[*:1]
CC(C)[C@@H](C(=O)N1CCCC[C@H]1C)n1cnc2c1c(=O)n(C)c(=O)n2C CC(C)[*:1] C[C@@H]1CCCCN1C(=O)[C@@H](n1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
Cc1ccc(S(=O)(=O)N(C)CCc2ccccn2)c(F)c1 c1ccc(nc1)[*:1] Cc1ccc(c(F)c1)S(=O)(=O)N(C)CC[*:1]
Cc1ccc(S(=O)(=O)N(C)CCc2ccccn2)c(F)c1 c1ccc(C[*:1])nc1 Cc1ccc(c(F)c1)S(=O)(=O)N(C)C[*:1]
COc1ccc(CCNC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)CCNC(=O)Cc1csc(n1)[*:1]
COc1ccc(CCNC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)NCC[*:1]
CCN(CC(=O)NC)C(=O)c1ccc(-n2nccc2C)cc1 CNC(=O)C[*:1] CCN(C(=O)c1ccc(cc1)-n1nccc1C)[*:1]
CCN(CC(=O)NC)C(=O)c1ccc(-n2nccc2C)cc1 Cc1ccnn1[*:1] CCN(CC(=O)NC)C(=O)c1ccc(cc1)[*:1]
CCN(CC(=O)NC)C(=O)c1ccc(-n2nccc2C)cc1 CNC(=O)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)-n1nccc1C
CCOc1ccc(OCC(=O)Nc2nc3ccc(SC)cc3s2)cc1 CCO[*:1] CSc1ccc2nc(NC(=O)COc3ccc(cc3)[*:1])sc2c1
CCN(Cc1ncoc1C(C)C)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(Cc1ncoc1C(C)C)[C@H](C)C[*:1]
CCN(Cc1ncoc1C(C)C)[C@H](C)CS(C)(=O)=O CC(C)[*:1] CCN(Cc1ncoc1[*:1])[C@H](C)CS(C)(=O)=O
CCN(Cc1ncoc1C(C)C)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(Cc1ncoc1C(C)C)[C@H](C)[*:1]
COCc1cc(NC(=O)NCCOC2CCCCCC2)ncn1 COC[*:1] O=C(NCCOC1CCCCCC1)Nc1cc(ncn1)[*:1]
COCc1cc(NC(=O)NCCOC2CCCCCC2)ncn1 C1CCCC(CC1)[*:1] COCc1cc(ncn1)NC(=O)NCCO[*:1]
[NH3+]CCOCC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 O=C([O-])[*:1] [NH3+]CCOCC(=O)N1C[C@@H](Oc2ccccc21)[*:1]
[NH3+]CCOCC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 [NH3+]CCOC[*:1] O=C([O-])[C@@H]1CN(C(=O)[*:1])c2ccccc2O1
[NH3+]CCOCC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 [NH3+]CCO[*:1] O=C([O-])[C@@H]1CN(C(=O)C[*:1])c2ccccc2O1
[NH3+]CCOCC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 [NH3+]CC[*:1] O=C([O-])[C@@H]1CN(C(=O)CO[*:1])c2ccccc2O1
C=CCOc1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 C=CC[*:1] C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(c1)O[*:1]
C=CCOc1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 C=CCO[*:1] C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)o1 Cc1ccc(o1)[*:1] C[C@H]1Nc2ncnn2[C@H]([C@@H]1C(=O)Nc1ccccc1)[*:1]
Cc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@H]1[C@H](C(=O)N[*:1])[C@@H](C)Nc2ncnn21
CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)C1CCCCCC1 Clc1cccc(c1)[*:1] CN(C(=O)CSc1nncn1[*:1])C1CCCCCC1
CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)C1CCCCCC1 C1CCCC(CC1)[*:1] CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)[*:1]
C[C@@H](NC(=O)NCc1ccncc1)c1ccc(Cl)s1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)NCc1ccncc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)NCc1ccncc1)[*:1]
Cc1cccc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] Cc1cccc(c1)CC(=O)N1CCCC[C@H]1[*:1]
CCc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C O=[N+]([O-])[*:1] CCc1nc(NC(=O)c2ccc(cc2Cl)[*:1])sc1C
COc1cccc([C@@H]2CN(Cc3cnc(-c4cccs4)s3)CCO2)c1 COc1cccc(c1)[*:1] c1csc(c1)-c1ncc(CN2CCO[C@@H](C2)[*:1])s1
COc1cccc([C@@H]2CN(Cc3cnc(-c4cccs4)s3)CCO2)c1 c1csc(c1)[*:1] COc1cccc(c1)[C@@H]1CN(CCO1)Cc1cnc(s1)[*:1]
COC(=O)[C@H](C)[C@H](C)[NH2+][C@]1(CO)CCC[C@@H](C)C1 COC(=O)[C@H](C)[*:1] C[C@H]([NH2+][C@]1(CO)CCC[C@@H](C)C1)[*:1]
COC(=O)[C@H](C)[C@H](C)[NH2+][C@]1(CO)CCC[C@@H](C)C1 COC(=O)[*:1] C[C@H]([NH2+][C@]1(CO)CCC[C@@H](C)C1)[C@@H](C)[*:1]
Cc1ccc(NC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)s1 FC(F)(F)[*:1] Cc1ccc(NC(=O)NCC[C@@](O)(c2nccn2C)[*:1])s1
Cc1ccc(NC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)s1 Cc1ccc(s1)[*:1] Cn1ccnc1[C@](O)(CCNC(=O)N[*:1])C(F)(F)F
Cc1ccc(NC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)s1 Cn1ccnc1[*:1] Cc1ccc(NC(=O)NCC[C@@](O)(C(F)(F)F)[*:1])s1
CC[C@@H](C)[C@@](C)([NH3+])Cc1ccc(OC)cc1 CC[C@@H](C)[*:1] COc1ccc(cc1)C[C@@](C)([NH3+])[*:1]
O=C(NCCO)c1ccccc1C(=O)c1ccccc1 O=C(NCCO)[*:1] O=C(c1ccccc1)c1ccccc1[*:1]
O=C(NCCO)c1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCO)c1ccccc1C(=O)[*:1]
O=C(NCCO)c1ccccc1C(=O)c1ccccc1 OCC[*:1] O=C(N[*:1])c1ccccc1C(=O)c1ccccc1
CC[C@@H](CCO)C[NH2+][C@H]1CCC[C@H](OC)C1 OCC[*:1] CC[C@@H](C[NH2+][C@H]1CCC[C@@H](C1)OC)[*:1]
CS(=O)(=O)NCCNC(=O)Nc1cccc(F)c1 CS(=O)(=O)NC[*:1] O=C(NC[*:1])Nc1cccc(F)c1
CS(=O)(=O)NCCNC(=O)Nc1cccc(F)c1 CS(=O)(=O)N[*:1] O=C(NCC[*:1])Nc1cccc(F)c1
COC(=O)c1ccc(-c2noc(C[NH+]3CCC(NC(C)=O)CC3)n2)cc1 COC(=O)[*:1] CC(=O)NC1CC[NH+](CC1)Cc1nc(no1)-c1ccc(cc1)[*:1]
COC(=O)c1ccc(-c2noc(C[NH+]3CCC(NC(C)=O)CC3)n2)cc1 CC(=O)N[*:1] COC(=O)c1ccc(cc1)-c1noc(C[NH+]2CCC(CC2)[*:1])n1
COc1ccc(CNC(=O)CSc2nncn2C(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)CNC(=O)CSc1nncn1[*:1]
Cc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@@H](c3ccco3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1)N1N=C(C[C@@H]1c1ccco1)[*:1]
Cc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@@H](c3ccco3)C2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)[*:1]
Cc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C1C[C@H](N(N=1)C(=O)c1ccc(Cl)cc1)[*:1]
COc1ccc([C@H](C)CCNC(=O)c2ncccc2C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H](C)CCNC(=O)c1ncccc1[*:1]
COc1ccc([C@H](C)CCNC(=O)c2ncccc2C(F)(F)F)cc1 COc1ccc(cc1)[*:1] C[C@H](CCNC(=O)c1ncccc1C(F)(F)F)[*:1]
CC[C@@H](NC(=O)C1CCCCC1)c1c(C)nn(C)c1C C1CCC(CC1)[*:1] CC[C@@H](NC(=O)[*:1])c1c(C)nn(C)c1C
CN[C@](C)(C(=O)OC)c1cccc(F)c1 COC(=O)[*:1] CN[C@](C)(c1cccc(F)c1)[*:1]
CC[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2ccncn2)C1 c1cc(ncn1)[*:1] CC[NH2+][C@]1(CC[C@H](C1)S[*:1])C(N)=O
CC[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2ccncn2)C1 NC(=O)[*:1] CC[NH2+][C@]1(CC[C@H](C1)Sc1ccncn1)[*:1]
C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1cc(Cl)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1cc(Cl)c(Cl)cc1[*:1]
Cc1ccc(CC(=O)N2CCC[C@H]2Cn2nc(C)cc2C)cn1 Cc1ccc(cn1)[*:1] Cc1cc(C)n(C[C@@H]2CCCN2C(=O)C[*:1])n1
Cc1ccc(CC(=O)N2CCC[C@H]2Cn2nc(C)cc2C)cn1 Cc1cc(C)n(n1)[*:1] Cc1ccc(cn1)CC(=O)N1CCC[C@H]1C[*:1]
CC[NH2+][C@@H](C)c1ccnc(N(C)CCO)c1 OCC[*:1] CC[NH2+][C@@H](C)c1ccnc(c1)N(C)[*:1]
CC[NH2+][C@@H](C)c1ccnc(N(C)CCO)c1 CN(CCO)[*:1] CC[NH2+][C@@H](C)c1ccnc(c1)[*:1]
COc1ccc(NC(=O)OCCCl)cc1 ClCC[*:1] COc1ccc(cc1)NC(=O)O[*:1]
COc1ccc(OCCN(C)Cc2nc(C)c3ccccc3n2)cc1 COc1ccc(cc1)[*:1] Cc1nc(CN(C)CCO[*:1])nc2ccccc12
CNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C c1cncc(c1)[*:1] CNC(=O)NC(=O)CSc1nnc(n1[C@H]1CCCC[C@H]1C)[*:1]
CNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C CNC(=O)NC(=O)CS[*:1] C[C@@H]1CCCC[C@@H]1n1c(nnc1[*:1])-c1cccnc1
CNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C CNC(=O)NC(=O)C[*:1] C[C@@H]1CCCC[C@@H]1n1c(nnc1-c1cccnc1)S[*:1]
CNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C CNC(=O)NC(=O)[*:1] C[C@@H]1CCCC[C@@H]1n1c(nnc1-c1cccnc1)SC[*:1]
C[C@H](Oc1cccc(Cl)c1)c1nc(-c2ccc3ncn(C)c3c2)no1 Clc1cccc(c1)O[*:1] C[C@H](c1nc(no1)-c1ccc2ncn(C)c2c1)[*:1]
C[C@H](Oc1cccc(Cl)c1)c1nc(-c2ccc3ncn(C)c3c2)no1 Clc1cccc(c1)[*:1] C[C@H](O[*:1])c1nc(no1)-c1ccc2ncn(C)c2c1
O=C([C@@H]1CN(C(=O)CC[C@H]2CCCO2)c2ccccc2O1)N1CCCCC1 C1CO[C@H](C1)C[*:1] O=C([C@@H]1CN(C(=O)C[*:1])c2ccccc2O1)N1CCCCC1
O=C([C@@H]1CN(C(=O)CC[C@H]2CCCO2)c2ccccc2O1)N1CCCCC1 C1CO[C@H](C1)[*:1] O=C([C@@H]1CN(C(=O)CC[*:1])c2ccccc2O1)N1CCCCC1
O=C([C@@H]1CN(C(=O)CC[C@H]2CCCO2)c2ccccc2O1)N1CCCCC1 C1CO[C@H](C1)CC[*:1] O=C([C@@H]1CN(C(=O)[*:1])c2ccccc2O1)N1CCCCC1
O=C([C@@H]1CN(C(=O)CC[C@H]2CCCO2)c2ccccc2O1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(CC[C@H]1CCCO1)N1C[C@H](Oc2ccccc21)[*:1]
NC(=O)CCN(Cc1ccnc(Cl)c1)c1ccc(F)cc1 NC(=O)CC[*:1] Fc1ccc(cc1)N(Cc1ccnc(Cl)c1)[*:1]
NC(=O)CCN(Cc1ccnc(Cl)c1)c1ccc(F)cc1 NC(=O)C[*:1] Fc1ccc(cc1)N(Cc1ccnc(Cl)c1)C[*:1]
NC(=O)CCN(Cc1ccnc(Cl)c1)c1ccc(F)cc1 Clc1cc(ccn1)[*:1] NC(=O)CCN(C[*:1])c1ccc(F)cc1
NC(=O)CCN(Cc1ccnc(Cl)c1)c1ccc(F)cc1 NC(=O)[*:1] Fc1ccc(cc1)N(CC[*:1])Cc1ccnc(Cl)c1
NC(=O)CCN(Cc1ccnc(Cl)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)CCN(Cc1ccnc(Cl)c1)[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cccnc1 CC(C)NC(=O)C[*:1] O=C(Nc1cccnc1)c1ccccc1S[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cccnc1 c1cncc(c1)[*:1] CC(C)NC(=O)CSc1ccccc1C(=O)N[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cccnc1 CC(C)NC(=O)[*:1] O=C(Nc1cccnc1)c1ccccc1SC[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cccnc1 CC(C)[*:1] O=C(CSc1ccccc1C(=O)Nc1cccnc1)N[*:1]
C[C@H]1CCC[C@H](C)[NH+]1CCOCCS SCC[*:1] C[C@H]1CCC[C@H](C)[NH+]1CCO[*:1]
C[C@H]1CCC[C@H](C)[NH+]1CCOCCS SCCO[*:1] C[C@H]1CCC[C@H](C)[NH+]1CC[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br CC[C@@H](C)C[*:1] C[C@H](NC(=O)c1ccc(cc1Br)[N+](=O)[O-])[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(cc1Br)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br CC[C@@H](C)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(cc1Br)[N+](=O)[O-]
Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C2=O)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] Cc1cc(nc(n1)[*:1])N[C@@H]1CCN(Cc2ccccc2)C1=O
Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C2=O)nc(-c2ccncc2)n1 c1ccc(cc1)[*:1] Cc1cc(nc(n1)-c1ccncc1)N[C@@H]1CCN(C[*:1])C1=O
Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C2=O)nc(-c2ccncc2)n1 c1ccc(cc1)C[*:1] Cc1cc(nc(n1)-c1ccncc1)N[C@@H]1CCN(C1=O)[*:1]
O=C(CNC(=O)C1CCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 O=C(N[*:1])C1CCCC1 O=C(C[*:1])Nc1nc(cs1)C[NH+]1CCCCC1
O=C(CNC(=O)C1CCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 C1CCC(C1)[*:1] O=C(CNC(=O)[*:1])Nc1nc(cs1)C[NH+]1CCCCC1
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C[C@H](O)C1CC1 O[C@H](C1CC1)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C[C@H](O)C1CC1 C1CC1[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C[C@H](O)[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C[C@H](O)C1CC1 O[C@@H](C[*:1])C1CC1 CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)[*:1]
Cc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])c1cc(=O)c2ccccc2o1
C=CCN(C(=O)[C@H](C)S(C)(=O)=O)c1nc(-c2ccccc2)cs1 CS(=O)(=O)[*:1] C=CCN(C(=O)[C@H](C)[*:1])c1nc(cs1)-c1ccccc1
C=CCN(C(=O)[C@H](C)S(C)(=O)=O)c1nc(-c2ccccc2)cs1 C=CC[*:1] C[C@@H](C(=O)N(c1nc(cs1)-c1ccccc1)[*:1])S(C)(=O)=O
C=CCN(C(=O)[C@H](C)S(C)(=O)=O)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C=CCN(C(=O)[C@H](C)S(C)(=O)=O)c1nc(cs1)[*:1]
CCOC(=O)[C@H](CC)c1nc2cc(C)ccc2n1C CCOC(=O)[*:1] CC[C@H](c1nc2cc(C)ccc2n1C)[*:1]
C[NH2+]C[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH2+]C[C@@H](C)C(=O)N1CCN(CC1)C[*:1]
COc1cc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(F)cc4)cnn32)cc(OC)c1 Fc1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)[C@@H]1CC(O)=Nc2c(cnn21)[*:1]
COc1cc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(F)cc4)cnn32)cc(OC)c1 COc1cc(cc(c1)[*:1])OC O=C(N[*:1])[C@@H]1CC(O)=Nc2c(cnn21)-c1ccc(F)cc1
CSc1n[nH]c2ncnc(N3CC[NH+](Cc4ccccc4C)CC3)c12 Cc1ccccc1[*:1] CSc1n[nH]c2ncnc(c12)N1CC[NH+](CC1)C[*:1]
CSc1n[nH]c2ncnc(N3CC[NH+](Cc4ccccc4C)CC3)c12 Cc1ccccc1C[*:1] CSc1n[nH]c2ncnc(c12)N1CC[NH+](CC1)[*:1]
CCC[NH+]1CCCn2nc(CNC(=O)Cc3nc4ccccc4[nH]3)cc2C1 c1ccc2[nH]c(nc2c1)[*:1] CCC[NH+]1CCCn2nc(cc2C1)CNC(=O)C[*:1]
CCC[NH+]1CCCn2nc(CNC(=O)Cc3nc4ccccc4[nH]3)cc2C1 CCC[*:1] O=C(Cc1nc2ccccc2[nH]1)NCc1cc2C[NH+](CCCn2n1)[*:1]
O=S1(=O)CCN(c2cccc([N-]S(=O)(=O)CCC3CC3)c2)CC1 C1CC1[*:1] O=S1(=O)CCN(CC1)c1cccc(c1)[N-]S(=O)(=O)CC[*:1]
O=S1(=O)CCN(c2cccc([N-]S(=O)(=O)CCC3CC3)c2)CC1 C1CC1C[*:1] O=S1(=O)CCN(CC1)c1cccc(c1)[N-]S(=O)(=O)C[*:1]
O=S1(=O)CCN(c2cccc([N-]S(=O)(=O)CCC3CC3)c2)CC1 C1CC1CC[*:1] O=S1(=O)CCN(CC1)c1cccc(c1)[N-]S(=O)(=O)[*:1]
CCc1ccc([C@@H]2COCCN2Cc2c(C)nn(CCO)c2C)o1 CCc1ccc(o1)[*:1] Cc1nn(CCO)c(C)c1CN1CCOC[C@H]1[*:1]
CCc1ccc([C@@H]2COCCN2Cc2c(C)nn(CCO)c2C)o1 OCC[*:1] CCc1ccc(o1)[C@@H]1COCCN1Cc1c(C)nn(c1C)[*:1]
COCCn1nnn(-c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)c1=O COCC[*:1] O=C(Nc1ccc(cc1)-n1nnn(c1=O)[*:1])c1ccc2nsnc2c1
COCCn1nnn(-c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)c1=O c1cc2nsnc2cc1[*:1] COCCn1nnn(-c2ccc(cc2)NC(=O)[*:1])c1=O
COCCn1nnn(-c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)c1=O COC[*:1] O=C(Nc1ccc(cc1)-n1nnn(C[*:1])c1=O)c1ccc2nsnc2c1
CC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C CC[C@H](C)NC(=O)N[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N1CCCCC1
CC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C CC[C@H](C)[*:1] Cc1ccc(cc1NC(=O)N[*:1])S(=O)(=O)N1CCCCC1
CC(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1 CC(C)[*:1] O=C(CSc1nc2ccccc2o1)NCc1ccc(cc1)[*:1]
Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NC[*:1]
Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1ccccc1 Clc1cccc(c1)[*:1] Cc1nc(NC(=O)N[*:1])sc1C(=O)NCc1ccccc1
Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)N[*:1]
C=C(C)C[NH+]1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 C=C(C)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1c(O)cc(Cl)cc1Cl
C=C(C)C[NH+]1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 C=C(C)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1c(O)cc(Cl)cc1Cl
CCOC(=O)c1nn(-c2ccccc2)cc1OCc1c(C)noc1C Cc1noc(C)c1[*:1] CCOC(=O)c1nn(cc1OC[*:1])-c1ccccc1
CCOC(=O)c1nn(-c2ccccc2)cc1OCc1c(C)noc1C Cc1noc(C)c1C[*:1] CCOC(=O)c1nn(cc1O[*:1])-c1ccccc1
CCOC(=O)c1nn(-c2ccccc2)cc1OCc1c(C)noc1C CCOC(=O)[*:1] Cc1noc(C)c1COc1cn(nc1[*:1])-c1ccccc1
CCOC(=O)c1nn(-c2ccccc2)cc1OCc1c(C)noc1C c1ccc(cc1)[*:1] CCOC(=O)c1nn(cc1OCc1c(C)noc1C)[*:1]
Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccc2c(c1)OCO2)C(=O)O3 c1cc2OCOc2cc1[*:1] Cc1ccc(C)c2nc3OC(=O)N(Cc3cc12)C[*:1]
Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H]2CCCS2)C3)cs1 Cc1nc(cs1)[*:1] O=C([C@H]1CCCS1)N1CCc2sc(cc2C1)[*:1]
COC[C@@H](C)[NH+]1CCN(CC(=O)NC2CCCC2)CC1 COC[*:1] C[C@@H]([NH+]1CCN(CC1)CC(=O)NC1CCCC1)[*:1]
COC[C@@H](C)[NH+]1CCN(CC(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] COC[C@@H](C)[NH+]1CCN(CC1)CC(=O)N[*:1]
COc1ccc(Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)cc1F CC(=O)NC[*:1] COc1ccc(cc1F)Nc1nc(-c2ccc(s2)[*:1])c(C)s1
COc1ccc(Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)cc1F CC(=O)N[*:1] COc1ccc(cc1F)Nc1nc(-c2ccc(C[*:1])s2)c(C)s1
Cc1cccc(C)c1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1 Cc1cccc(C)c1[*:1] O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)N[*:1]
CCCCSc1nnc(-c2ccccc2)o1 CCC[*:1] c1ccc(cc1)-c1nnc(o1)SC[*:1]
CCCCSc1nnc(-c2ccccc2)o1 CCCC[*:1] c1ccc(cc1)-c1nnc(o1)S[*:1]
CCCCSc1nnc(-c2ccccc2)o1 CCCCS[*:1] c1ccc(cc1)-c1nnc(o1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](COc3cccc(C(=O)N4CCCC4)c3)C2)cc1F Cc1ccc(cc1F)[*:1] O=C(c1cccc(c1)OC[C@H]1CCCN(C1)C(=O)[*:1])N1CCCC1
Cc1ccc(C(=O)N2CCC[C@H](COc3cccc(C(=O)N4CCCC4)c3)C2)cc1F O=C(N1CCCC1)[*:1] Cc1ccc(cc1F)C(=O)N1CCC[C@H](COc2cccc(c2)[*:1])C1
O=C([C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] FC(F)(F)c1nc(S[C@@H](c2ccccc2)[*:1])c2ccccc2n1
O=C([C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1)N1CCOCC1 FC(F)(F)[*:1] O=C([C@@H](Sc1nc(nc2ccccc12)[*:1])c1ccccc1)N1CCOCC1
O=C([C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@@H](Sc1nc(nc2ccccc12)C(F)(F)F)[*:1])N1CCOCC1
Cc1ccccc1Cc1nc(CSCc2ncc(C(C)C)o2)no1 Cc1ccccc1C[*:1] CC(C)c1cnc(CSCc2noc(n2)[*:1])o1
Cc1ccccc1Cc1nc(CSCc2ncc(C(C)C)o2)no1 Cc1ccccc1[*:1] CC(C)c1cnc(CSCc2noc(C[*:1])n2)o1
Cc1ccccc1Cc1nc(CSCc2ncc(C(C)C)o2)no1 CC(C)[*:1] Cc1ccccc1Cc1nc(CSCc2ncc(o2)[*:1])no1
Cc1ccccc1Cc1nc(CSCc2ncc(C(C)C)o2)no1 CC(C)c1cnc(o1)[*:1] Cc1ccccc1Cc1nc(CSC[*:1])no1
CCOc1ccc(CNC(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1nn2cc(nc2s1)-c1ccc(F)cc1
CCOc1ccc(CNC(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1 CCO[*:1] O=C(NCc1ccc(cc1)[*:1])C1CCN(CC1)c1nn2cc(nc2s1)-c1ccc(F)cc1
CCOc1ccc(CNC(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)CNC(=O)C1CCN(CC1)c1nn2cc(nc2s1)[*:1]
CCOc1ccc(CNC(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1 CCOc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)c1nn2cc(nc2s1)-c1ccc(F)cc1
CCOc1ccc(N)c2c1cnn2C CCO[*:1] Cn1ncc2c(ccc(N)c21)[*:1]
C=CCN1C(=O)COc2ccc(NC(=O)c3csnn3)cc21 C=CC[*:1] O=C(Nc1ccc2OCC(=O)N(c2c1)[*:1])c1csnn1
C=CCN1C(=O)COc2ccc(NC(=O)c3csnn3)cc21 c1snnc1[*:1] C=CCN1C(=O)COc2ccc(cc21)NC(=O)[*:1]
C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1csc(C(C)C)n1 C=CC[*:1] CC(C)c1nc(cs1)[C@@H](C)[NH2+][C@H](C)[C@@H](C)[*:1]
C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1csc(C(C)C)n1 C=CC[C@H](C)[*:1] CC(C)c1nc(cs1)[C@@H](C)[NH2+][C@H](C)[*:1]
C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1csc(C(C)C)n1 CC(C)[*:1] C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1csc(n1)[*:1]
Cc1nnnn1-c1cc(NC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)ccc1F Fc1ccc(F)c(c1)[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)N(C)[C@@H](C)[*:1]
Cc1nnnn1-c1cc(NC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)ccc1F Cc1nnnn1[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(F)c(c1)[*:1]
CCOC(=O)c1cccnc1N(CC)CC(C)(C)O CCOC(=O)[*:1] CCN(CC(C)(C)O)c1ncccc1[*:1]
CCOC(=O)c1cccnc1N(CC)CC(C)(C)O CC(C)(O)[*:1] CCOC(=O)c1cccnc1N(CC)C[*:1]
CCOC(=O)c1cccnc1N(CC)CC(C)(C)O CC(C)(O)C[*:1] CCOC(=O)c1cccnc1N(CC)[*:1]
CNC(=O)CN(C)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 CNC(=O)CN(C)[*:1] Clc1ccc(cc1)C(c1ccc(Cl)cc1)[*:1]
CNC(=O)CN(C)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 CNC(=O)[*:1] CN(C[*:1])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CNC(=O)CN(C)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CNC(=O)CN(C)C(c1ccc(Cl)cc1)[*:1]
CNC(=O)CN(C)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 CNC(=O)C[*:1] CN(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[*:1]
CC[C@H]1C(=O)N[C@H](C2CC2)C(=O)N1C1C(C)(C)C1(C)C C1CC1[*:1] CC[C@H]1C(=O)N[C@H](C(=O)N1C1C(C)(C)C1(C)C)[*:1]
C/N=C1\S/C(=C/C(=O)OC)C(=O)N1C COC(=O)[*:1] C/N=C1\SC(=C[*:1])C(=O)N1C
C[NH2+]C/C(=C\c1cc(Br)ccc1OC)C(C)C CC(C)[*:1] C[NH2+]C/C(=C\c1cc(Br)ccc1OC)[*:1]
CC(=O)Nc1cccc(CNS(=O)(=O)N2CCc3ccccc3C2)c1 CC(=O)N[*:1] O=S(=O)(NCc1cccc(c1)[*:1])N1CCc2ccccc2C1
CC[C@H](Oc1ccc(F)cc1)C(=O)c1c(C)c(C#N)c(=O)n(C(C)C)c1[O-] Fc1ccc(cc1)O[*:1] CC[C@H](C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])C(C)C)[*:1]
CC[C@H](Oc1ccc(F)cc1)C(=O)c1c(C)c(C#N)c(=O)n(C(C)C)c1[O-] Fc1ccc(cc1)[*:1] CC[C@H](O[*:1])C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])C(C)C
CC[C@H](Oc1ccc(F)cc1)C(=O)c1c(C)c(C#N)c(=O)n(C(C)C)c1[O-] CC(C)[*:1] CC[C@H](Oc1ccc(F)cc1)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1OCC(F)(F)F FC(F)(F)CO[*:1] C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1[*:1]
C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1OCC(F)(F)F FC(F)(F)C[*:1] C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1O[*:1]
C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1OCC(F)(F)F FC(F)(F)[*:1] C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1OC[*:1]
C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1OCC(F)(F)F C[C@@H](O)C[*:1] O=C(Nc1ccccc1OCC(F)(F)F)C(=O)N[*:1]
C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1OCC(F)(F)F C[C@@H](O)[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1OCC(F)(F)F
C[C@@H](OC(=O)c1cscn1)c1ccc2c(c1)NC(=O)CO2 c1nc(cs1)[*:1] C[C@@H](OC(=O)[*:1])c1ccc2OCC(=O)Nc2c1
O=C(Cc1ccc[nH]1)NCC1(c2cccc(Br)c2)CCC1 c1c[nH]c(c1)C[*:1] O=C(NCC1(CCC1)c1cccc(Br)c1)[*:1]
O=C(Cc1ccc[nH]1)NCC1(c2cccc(Br)c2)CCC1 c1c[nH]c(c1)[*:1] O=C(C[*:1])NCC1(CCC1)c1cccc(Br)c1
O=C(Cc1ccc[nH]1)NCC1(c2cccc(Br)c2)CCC1 Brc1cccc(c1)[*:1] O=C(Cc1ccc[nH]1)NCC1(CCC1)[*:1]
Cc1cc(C)cc(OCC(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)c1 Cc1cc(C)cc(c1)[*:1] O=C(CO[*:1])N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F
Cc1cc(C)cc(OCC(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(C)cc(c1)OCC(=O)N1N=C2CCCC[C@@H]2[C@@]1(O)[*:1]
COCCO[C@@H](C)C(=O)Nc1ccccc1C(C)=O COCC[*:1] CC(=O)c1ccccc1NC(=O)[C@H](C)O[*:1]
COCCO[C@@H](C)C(=O)Nc1ccccc1C(C)=O COCCO[*:1] CC(=O)c1ccccc1NC(=O)[C@H](C)[*:1]
COCCO[C@@H](C)C(=O)Nc1ccccc1C(C)=O COC[*:1] CC(=O)c1ccccc1NC(=O)[C@H](C)OC[*:1]
COCCO[C@@H](C)C(=O)Nc1ccccc1C(C)=O CC(=O)[*:1] COCCO[C@@H](C)C(=O)Nc1ccccc1[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1nc2c(s1)COCC2 C[C@H](O)[*:1] CC(C)N(C[*:1])C(=O)Nc1nc2CCOCc2s1
CC(C)N(C[C@H](C)O)C(=O)Nc1nc2c(s1)COCC2 CC(C)[*:1] C[C@H](O)CN(C(=O)Nc1nc2CCOCc2s1)[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1nc2c(s1)COCC2 C[C@H](O)C[*:1] CC(C)N(C(=O)Nc1nc2CCOCc2s1)[*:1]
COc1ccc([C@@H](C)NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)C1CCN(CC1)C(=O)C=C[*:1]
COc1ccc([C@@H](C)NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1OC COc1ccc(cc1OC)[*:1] C[C@@H](NC(=O)C1CCN(CC1)C(=O)/C=C/c1ccccc1)[*:1]
COc1ccc([C@@H](C)NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1OC C(=C[*:1])c1ccccc1 COc1ccc(cc1OC)[C@@H](C)NC(=O)C1CCN(CC1)C(=O)[*:1]
COC(=O)[C@H](C)NC(=O)c1cc(Br)ccc1O COC(=O)[*:1] C[C@H](NC(=O)c1cc(Br)ccc1O)[*:1]
CN1C(=O)C2=N/C(=N\Cc3ccc(Cl)cc3)N[C@@H]2N(C)C1=O Clc1ccc(cc1)[*:1] CN1C(=O)C2=N/C(=N\C[*:1])N[C@@H]2N(C)C1=O
O=C(Cn1ccnc1)NCc1ccc(Oc2cccnc2)c(F)c1 c1cncc(c1)O[*:1] O=C(Cn1ccnc1)NCc1ccc(c(F)c1)[*:1]
O=C(Cn1ccnc1)NCc1ccc(Oc2cccnc2)c(F)c1 c1cn(cn1)C[*:1] O=C(NCc1ccc(Oc2cccnc2)c(F)c1)[*:1]
O=C(Cn1ccnc1)NCc1ccc(Oc2cccnc2)c(F)c1 c1cn(cn1)[*:1] O=C(C[*:1])NCc1ccc(Oc2cccnc2)c(F)c1
O=C(Cn1ccnc1)NCc1ccc(Oc2cccnc2)c(F)c1 c1cncc(c1)[*:1] O=C(Cn1ccnc1)NCc1ccc(O[*:1])c(F)c1
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC[*:1]
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(CN(S(=O)(=O)c1ccc(F)cc1)[*:1])NCc1ccc(Cl)cc1
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N[*:1]
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(CN(c1ccccc1)S(=O)(=O)[*:1])NCc1ccc(Cl)cc1
O=C([O-])c1cccc2c(Br)ccnc12 O=C([O-])[*:1] Brc1ccnc2c(cccc12)[*:1]
COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1cccc(Br)c1 COC[*:1] O=C(/C=C/c1cccc(Br)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C[*:1]
COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1cccc(Br)c1 Brc1cccc(C=C[*:1])c1 COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[*:1]
COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1cccc(Br)c1 Brc1cccc(c1)[*:1] COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C=C[*:1]
COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1cccc(Br)c1 COCC[*:1] O=C(/C=C/c1cccc(Br)c1)N(Cc1nc2ccccc2c(=O)[nH]1)[*:1]
Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc(C)[nH]n3)[C@@H]4C2=O)c1 Cc1cccc(c1)[*:1] Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C[*:1])C(=O)[C@@H]24)O3)n[nH]1
Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc(C)[nH]n3)[C@@H]4C2=O)c1 Cc1cc(C[*:1])n[nH]1 Cc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)[*:1])[C@@H]3C1=O
Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc(C)[nH]n3)[C@@H]4C2=O)c1 Cc1cccc(c1)C[*:1] Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C(=O)[C@@H]24)[*:1])O3)n[nH]1
Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc(C)[nH]n3)[C@@H]4C2=O)c1 Cc1cc(n[nH]1)[*:1] Cc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)C[*:1])[C@@H]3C1=O
CC(C)CC[C@@]1(CC(=O)N2CCN(C)CC2)CCO[C@H](C(C)C)C1 CC(C)[*:1] CC(C)CC[C@]1(CCO[C@H](C1)[*:1])CC(=O)N1CCN(C)CC1
CC(C)CC[C@@]1(CC(=O)N2CCN(C)CC2)CCO[C@H](C(C)C)C1 CC(C)[*:1] CC(C)[C@@H]1C[C@](CCO1)(CC[*:1])CC(=O)N1CCN(C)CC1
CC(C)CC[C@@]1(CC(=O)N2CCN(C)CC2)CCO[C@H](C(C)C)C1 CC(C)CC[*:1] CC(C)[C@@H]1C[C@](CCO1)(CC(=O)N1CCN(C)CC1)[*:1]
CC(C)CC[C@@]1(CC(=O)N2CCN(C)CC2)CCO[C@H](C(C)C)C1 CC(C)C[*:1] CC(C)[C@@H]1C[C@@](CCO1)(CC(=O)N1CCN(C)CC1)C[*:1]
O=C(Nc1ccc(F)cc1F)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1Cl
O=C(Nc1ccc(F)cc1F)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(Nc1ccc(F)cc1F)C1CCN(CC1)C(=O)[*:1]
O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N1CCc2ccccc21 c1nc(no1)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)[*:1])N1CCc2ccccc21
O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N1CCc2ccccc21 Clc1ccc(cc1)[*:1] O=C(N[C@@H](c1ncon1)[*:1])N1CCc2ccccc21
Cc1nc(Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c2nnn(Cc3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1nc(Nc2ccc(cc2)S(=O)(=O)N2CCCC[C@@H]2C)c2nnn(C[*:1])c2n1
Cc1nc(Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c2nnn(Cc3ccccc3)c2n1 c1ccc(cc1)C[*:1] Cc1nc(Nc2ccc(cc2)S(=O)(=O)N2CCCC[C@@H]2C)c2nnn(c2n1)[*:1]
C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCC[C@H](c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCC[C@H](CC1)[*:1]
C[C@@H](CCO)CNC(=O)NCc1nc2ccccc2s1 C[C@@H](CCO)C[*:1] O=C(NCc1nc2ccccc2s1)N[*:1]
C[C@@H](CCO)CNC(=O)NCc1nc2ccccc2s1 OCC[*:1] C[C@@H](CNC(=O)NCc1nc2ccccc2s1)[*:1]
C[C@@H](CCO)CNC(=O)NCc1nc2ccccc2s1 C[C@@H](CCO)[*:1] O=C(NCc1nc2ccccc2s1)NC[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cncc(F)c3)CC2)cc1 CCO[*:1] O=C(c1cncc(F)c1)N1CC=C(CC1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cncc(F)c3)CC2)cc1 Fc1cncc(c1)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)[*:1]
CC1(C)N=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccc(Cl)cc2)=N1 Clc1ccc(cc1)[*:1] CC1(C)N=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)C(=N1)[*:1]
CC1(C)N=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccc(Cl)cc2)=N1 Clc1ccc(cc1Cl)[*:1] CC1(C)N=C(SCC(=O)N[*:1])C(=N1)c1ccc(Cl)cc1
CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 CC(C)(C)[*:1] CC1(C)Oc2ccc(cc2O1)NC(=O)Cc1ccc(cc1)NC(=O)C[*:1]
CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 CC(C)(C)C[*:1] CC1(C)Oc2ccc(cc2O1)NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 CC(C)(C)CC(=O)N[*:1] CC1(C)Oc2ccc(cc2O1)NC(=O)Cc1ccc(cc1)[*:1]
O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)NC[C@H]1CCCO1 Clc1ccc(s1)[*:1] O=C(COC(=O)c1cc(nc2ccccc12)[*:1])NC[C@H]1CCCO1
CSc1ccccc1C(=O)Nc1nnc(-c2ccn(C)n2)o1 Cn1ccc(n1)[*:1] CSc1ccccc1C(=O)Nc1nnc(o1)[*:1]
COCC[NH+]1CCCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COCC[NH+]1CCCN(CC1)C[*:1]
COCC[NH+]1CCCN(Cc2ccccc2)CC1 COC[*:1] c1ccc(cc1)CN1CCC[NH+](CC1)C[*:1]
COCC[NH+]1CCCN(Cc2ccccc2)CC1 COCC[*:1] c1ccc(cc1)CN1CCC[NH+](CC1)[*:1]
Cc1ccc(C)c(CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 O=C(C[*:1])N1CCOCC1 Cc1ccc(C)c(c1)CSc1cn(c2ccccc12)[*:1]
Cc1ccc(C)c(CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 O=C(N1CCOCC1)[*:1] Cc1ccc(C)c(c1)CSc1cn(C[*:1])c2ccccc12
Cc1ccc(C)c(CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 Cc1ccc(C)c(c1)C[*:1] O=C(Cn1cc(S[*:1])c2ccccc21)N1CCOCC1
Cc1ccc(C)c(CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cn1cc(SC[*:1])c2ccccc21)N1CCOCC1
C=C(C)CN(CC)C(=O)[C@H](C)Sc1ncc[nH]1 c1c[nH]c(n1)[*:1] C=C(C)CN(CC)C(=O)[C@H](C)S[*:1]
C=C(C)CN(CC)C(=O)[C@H](C)Sc1ncc[nH]1 C=C(C)[*:1] CCN(C[*:1])C(=O)[C@H](C)Sc1ncc[nH]1
C=C(C)CN(CC)C(=O)[C@H](C)Sc1ncc[nH]1 C=C(C)C[*:1] CCN(C(=O)[C@H](C)Sc1ncc[nH]1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
COc1cc2[nH]c(C(=O)NCCc3ccccc3)cc2c(OC)c1OC c1ccc(cc1)CC[*:1] COc1cc2[nH]c(cc2c(OC)c1OC)C(=O)N[*:1]
COc1cc2[nH]c(C(=O)NCCc3ccccc3)cc2c(OC)c1OC c1ccc(cc1)C[*:1] COc1cc2[nH]c(cc2c(OC)c1OC)C(=O)NC[*:1]
COc1cc2[nH]c(C(=O)NCCc3ccccc3)cc2c(OC)c1OC c1ccc(cc1)[*:1] COc1cc2[nH]c(cc2c(OC)c1OC)C(=O)NCC[*:1]
CCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)c1cc(ccc1[N+](=O)[O-])OC)[*:1]
CCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])C1CCCC1 O=[N+]([O-])[*:1] CCN(C(=O)c1cc(ccc1[*:1])OC)C1CCCC1
CCS(=O)(=O)CCN(C)C(=O)c1ccc(Oc2ccccc2)o1 CCS(=O)(=O)[*:1] CN(CC[*:1])C(=O)c1ccc(Oc2ccccc2)o1
CCS(=O)(=O)CCN(C)C(=O)c1ccc(Oc2ccccc2)o1 CCS(=O)(=O)CC[*:1] CN(C(=O)c1ccc(Oc2ccccc2)o1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1ccc(Oc2ccccc2)o1 c1ccc(cc1)O[*:1] CCS(=O)(=O)CCN(C)C(=O)c1ccc(o1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1ccc(Oc2ccccc2)o1 CCS(=O)(=O)C[*:1] CN(C[*:1])C(=O)c1ccc(Oc2ccccc2)o1
CCS(=O)(=O)CCN(C)C(=O)c1ccc(Oc2ccccc2)o1 c1ccc(cc1)[*:1] CCS(=O)(=O)CCN(C)C(=O)c1ccc(O[*:1])o1
O=C(Cc1ccccc1Cl)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1Cl)N1CCN(CCO[*:1])CC1
O=C(Cc1ccccc1Cl)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=C(Cc1ccccc1Cl)N1CCN(CC1)C[*:1]
O=C(Cc1ccccc1Cl)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(Cc1ccccc1Cl)N1CCN(CC1)CC[*:1]
O=C(Cc1ccccc1Cl)N1CCN(CCOc2ccccc2)CC1 Clc1ccccc1[*:1] O=C(C[*:1])N1CCN(CCOc2ccccc2)CC1
O=C(Cc1ccccc1Cl)N1CCN(CCOc2ccccc2)CC1 Clc1ccccc1C[*:1] O=C(N1CCN(CCOc2ccccc2)CC1)[*:1]
C[C@@H](NC(=O)C(=O)Nc1cccc(SC(F)F)c1)c1cnn(C)c1 FC(F)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(c1)S[*:1])c1cnn(C)c1
C[C@@H](NC(=O)C(=O)Nc1cccc(SC(F)F)c1)c1cnn(C)c1 FC(F)S[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(c1)[*:1])c1cnn(C)c1
C[C@@H](NC(=O)C(=O)Nc1cccc(SC(F)F)c1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(c1)SC(F)F)[*:1]
FC(F)(F)CCNc1nc2ccc(Br)cc2s1 FC(F)(F)C[*:1] Brc1ccc2nc(NC[*:1])sc2c1
FC(F)(F)CCNc1nc2ccc(Br)cc2s1 FC(F)(F)[*:1] Brc1ccc2nc(NCC[*:1])sc2c1
Cc1ccnc(NC(=O)c2c[nH]c3ccccc3c2=O)c1 Cc1ccnc(c1)[*:1] O=C(N[*:1])c1c[nH]c2ccccc2c1=O
CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(C(=O)c2ccco2)CC1 CCOC(=O)[*:1] N#C[C@@H](c1nc2ccccc2nc1N1CCN(CC1)C(=O)c1ccco1)[*:1]
CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(CC1)C(=O)[*:1]
Cc1nc(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cs1 Cc1nc(cs1)C[*:1] FC(F)(F)c1cccc(c1)-c1noc(n1)[*:1]
Cc1nc(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cs1 FC(F)(F)[*:1] Cc1nc(cs1)Cc1nc(no1)-c1cccc(c1)[*:1]
Cc1nc(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cs1 Cc1nc(cs1)[*:1] FC(F)(F)c1cccc(c1)-c1noc(C[*:1])n1
Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)o1 Cc1ccc(o1)[*:1] CC(C)Cc1ccc(cc1)-c1csc(n1)C(C#N)=C[*:1]
Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)o1 CC(C)[*:1] Cc1ccc(/C=C(/C#N)c2nc(cs2)-c2ccc(cc2)C[*:1])o1
Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)o1 CC(C)C[*:1] Cc1ccc(/C=C(/C#N)c2nc(cs2)-c2ccc(cc2)[*:1])o1
CCc1ccc(OCC(=O)NC2CCCCC2)c(Br)c1 C1CCC(CC1)[*:1] CCc1ccc(OCC(=O)N[*:1])c(Br)c1
CC(C)(C)Oc1cc(CNC(=O)c2ccc(N3CCCC3)nc2)ccn1 C1CCN(C1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)c1ccc(nc1)[*:1]
CC(C)(C)Oc1cc(CNC(=O)c2ccc(N3CCCC3)nc2)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])c1ccc(nc1)N1CCCC1
CC(C)(C)Oc1cc(CNC(=O)c2ccc(N3CCCC3)nc2)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])c1ccc(nc1)N1CCCC1
CCNC(=O)Nc1ccccc1CC(=O)NC CNC(=O)C[*:1] CCNC(=O)Nc1ccccc1[*:1]
CCNC(=O)Nc1ccccc1CC(=O)NC CNC(=O)[*:1] CCNC(=O)Nc1ccccc1C[*:1]
CCOC1=C[C@H](c2ccc3c(c2)OCO3)CC(=O)c2c(C)oc(C)c21 CCO[*:1] Cc1oc(C)c2C(=C[C@@H](CC(=O)c12)c1ccc2OCOc2c1)[*:1]
Cc1cc(Cl)cc2sc(N(CC[NH+]3CCOCC3)C(=O)Cc3ccc(F)cc3)nc12 Fc1ccc(cc1)C[*:1] Cc1cc(Cl)cc2sc(nc12)N(CC[NH+]1CCOCC1)C(=O)[*:1]
Cc1cc(Cl)cc2sc(N(CC[NH+]3CCOCC3)C(=O)Cc3ccc(F)cc3)nc12 Fc1ccc(cc1)[*:1] Cc1cc(Cl)cc2sc(nc12)N(CC[NH+]1CCOCC1)C(=O)C[*:1]
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C[C@@H](C)O1 Brc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CC(C)C[NH2+]Cc1ccc(OCC2CCCC2)cn1 C1CCC(C1)[*:1] CC(C)C[NH2+]Cc1ccc(cn1)OC[*:1]
CC(C)C[NH2+]Cc1ccc(OCC2CCCC2)cn1 CC(C)[*:1] c1cc(C[NH2+]C[*:1])ncc1OCC1CCCC1
CC(C)C[NH2+]Cc1ccc(OCC2CCCC2)cn1 C1CCC(C1)C[*:1] CC(C)C[NH2+]Cc1ccc(cn1)O[*:1]
CC(C)C[NH2+]Cc1ccc(OCC2CCCC2)cn1 CC(C)C[*:1] c1cc(C[NH2+][*:1])ncc1OCC1CCCC1
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](OC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 O=[N+]([O-])[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])C(=O)Nc1ccc(F)cc1
CCC1([C@H]2OCCC[C@@H]2C(=O)OC)SCCS1 COC(=O)[*:1] CCC1(SCCS1)[C@H]1OCCC[C@H]1[*:1]
CC(C)[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] CC(C)[NH2+]Cc1ccc(OC[*:1])c(Cl)c1
CC(C)[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 CC(C)[*:1] Clc1cc(ccc1OCc1ccccc1)C[NH2+][*:1]
O=S(=O)(c1ccccc1)n1ccc2c(Cl)ccnc21 c1ccc(cc1)[*:1] O=S(=O)(n1ccc2c(Cl)ccnc21)[*:1]
O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)n1 O=[N+]([O-])[*:1] O=C(Cc1ccccc1[*:1])Nc1cccc(Cl)n1
CCc1ccc2nc(N3CC[NH+](CCNC(=O)c4cccc(OC)c4)CC3)sc2c1 COc1cccc(c1)[*:1] CCc1ccc2nc(sc2c1)N1CC[NH+](CCNC(=O)[*:1])CC1
CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21 Fc1ccc(cc1)[*:1] CC(=O)N1CCCc2cc(ccc21)[C@@H](O)CN1CCN(CC1)[*:1]
COc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3ccccn3)s2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)[C@@H](C#N)[*:1]
COc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3ccccn3)s2)cc1 COc1ccc(cc1)[*:1] N#C[C@H](C(=O)c1cnc(s1)[*:1])c1ccccn1
C[C@@H]1CCCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)C1 FC(F)(F)[*:1] C[C@@H]1CCCN(C1)C(=O)CN(c1cccc(c1)[*:1])S(C)(=O)=O
Cc1ccccc1-n1cnnc1SCC(=O)NCCc1ccc(F)cc1 Cc1ccccc1[*:1] O=C(CSc1nncn1[*:1])NCCc1ccc(F)cc1
Cc1ccccc1-n1cnnc1SCC(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1ccccc1-n1cnnc1SCC(=O)NC[*:1]
Cc1ccccc1-n1cnnc1SCC(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccccc1-n1cnnc1SCC(=O)NCC[*:1]
O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1C[C@@H]1c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CC(=O)N(C1)C[*:1])[C@H]1C[C@@H]1c1ccc(F)cc1
O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1C[C@H]1[*:1]
O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1C[C@@H]1c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1CC(=O)N(C1)[*:1])[C@H]1C[C@@H]1c1ccc(F)cc1
Cc1ccc2[nH]c(=S)n([C@@H]3C[C@H]3c3ccccc3)c2c1 c1ccc(cc1)[*:1] Cc1ccc2[nH]c(=S)n(c2c1)[C@@H]1C[C@@H]1[*:1]
CCO[C@@H](CC)C(=O)NCCN1C(=O)CCC1=O CCO[C@@H](CC)[*:1] O=C1CCC(=O)N1CCNC(=O)[*:1]
CCO[C@@H](CC)C(=O)NCCN1C(=O)CCC1=O CCO[*:1] CC[C@@H](C(=O)NCCN1C(=O)CCC1=O)[*:1]
O=C(Cc1ccsc1)N1CCC(c2nc(O)c3nnn(Cc4ccccc4F)c3n2)CC1 c1cc(cs1)C[*:1] O=C(N1CCC(CC1)c1nc(O)c2nnn(Cc3ccccc3F)c2n1)[*:1]
O=C(Cc1ccsc1)N1CCC(c2nc(O)c3nnn(Cc4ccccc4F)c3n2)CC1 Fc1ccccc1C[*:1] O=C(Cc1ccsc1)N1CCC(CC1)c1nc(O)c2nnn(c2n1)[*:1]
O=C(Cc1ccsc1)N1CCC(c2nc(O)c3nnn(Cc4ccccc4F)c3n2)CC1 Fc1ccccc1[*:1] O=C(Cc1ccsc1)N1CCC(CC1)c1nc(O)c2nnn(C[*:1])c2n1
O=C(Cc1ccsc1)N1CCC(c2nc(O)c3nnn(Cc4ccccc4F)c3n2)CC1 c1cc(cs1)[*:1] O=C(C[*:1])N1CCC(CC1)c1nc(O)c2nnn(Cc3ccccc3F)c2n1
O=C1C[C@H](C(=O)N(C2CCCCC2)C2CC2)c2ccccc2N1 C1CCC(CC1)[*:1] O=C1C[C@H](C(=O)N(C2CC2)[*:1])c2ccccc2N1
O=C1C[C@H](C(=O)N(C2CCCCC2)C2CC2)c2ccccc2N1 C1CC1[*:1] O=C1C[C@H](C(=O)N(C2CCCCC2)[*:1])c2ccccc2N1
CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CC23CCC3)C1 CN(C)C(=O)[*:1] O=C([C@@H]1CC12CCC2)N1CC[C@@](Cc2ccc(cc2)-c2ccsc2)(C1)[*:1]
CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CC23CCC3)C1 c1cc(cs1)[*:1] CN(C)C(=O)[C@@]1(CCN(C1)C(=O)[C@@H]1CC12CCC2)Cc1ccc(cc1)[*:1]
C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)N[*:1]
C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](O)CNc1[nH+]c2ccccc2n1C[*:1]
C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NC(C)(C)C C[C@@H](O)[*:1] CC(C)(C)NC(=O)Cn1c(NC[*:1])[nH+]c2ccccc21
C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NC(C)(C)C C[C@@H](O)C[*:1] CC(C)(C)NC(=O)Cn1c(N[*:1])[nH+]c2ccccc21
CC[C@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(SCc4ccc(Cl)cc4)n3c2c1 Clc1ccc(cc1)CS[*:1] CC[C@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(n3c2c1)[*:1]
CC[C@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(SCc4ccc(Cl)cc4)n3c2c1 Clc1ccc(cc1)C[*:1] CC[C@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(S[*:1])n3c2c1
CC[C@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(SCc4ccc(Cl)cc4)n3c2c1 Clc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(SC[*:1])n3c2c1
CC[C@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(SCc4ccc(Cl)cc4)n3c2c1 CC[C@H](C)NC(=O)[*:1] Cn1c(=O)c2ccc(cc2n2c(nnc12)SCc1ccc(Cl)cc1)[*:1]
Cc1cc(CN2CC[C@@H](Cl)C2)c2ccccc2n1 Cl[C@@H]1CCN(C1)[*:1] Cc1cc(C[*:1])c2ccccc2n1
C[C@H](NC(=O)NCC1(O)CCCCCC1)C(=O)N1CCCC[C@@H]1C OC1(CCCCCC1)[*:1] C[C@H](NC(=O)NC[*:1])C(=O)N1CCCC[C@@H]1C
N#C/C(=C\c1c(F)cccc1Cl)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] N#C/C(=C\c1c(F)cccc1Cl)C(=O)NC[*:1]
N#C/C(=C\c1c(F)cccc1Cl)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] N#C/C(=C\c1c(F)cccc1Cl)C(=O)N[*:1]
N#CCN(C(=O)CCc1ccc(Cl)s1)C1CCCC1 C1CCC(C1)[*:1] N#CCN(C(=O)CCc1ccc(Cl)s1)[*:1]
N#CCN(C(=O)CCc1ccc(Cl)s1)C1CCCC1 Clc1ccc(s1)[*:1] N#CCN(C(=O)CC[*:1])C1CCCC1
N#CCN(C(=O)CCc1ccc(Cl)s1)C1CCCC1 N#CC[*:1] O=C(CCc1ccc(Cl)s1)N(C1CCCC1)[*:1]
CCCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 c1ncn(n1)[*:1] CCCCNC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 CCCC[*:1] O=C(N[*:1])c1ccc(c(c1)[N+](=O)[O-])-n1cncn1
CCCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCCCNC(=O)c1ccc(c(c1)[*:1])-n1cncn1
CCCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 CCC[*:1] O=C(NC[*:1])c1ccc(c(c1)[N+](=O)[O-])-n1cncn1
CCCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 CCCCNC(=O)[*:1] O=[N+]([O-])c1cc(ccc1-n1cncn1)[*:1]
CCOC(=O)[C@@](C)(NC(=O)c1cc(F)ccc1O)C(C)C CC(C)[*:1] CCOC(=O)[C@@](C)(NC(=O)c1cc(F)ccc1O)[*:1]
CCOC(=O)[C@@](C)(NC(=O)c1cc(F)ccc1O)C(C)C CCOC(=O)[*:1] CC(C)[C@@](C)(NC(=O)c1cc(F)ccc1O)[*:1]
COc1cc(C2(C(=O)NCC(=O)N3CCCC3)CC2)ccc1C O=C(N1CCCC1)[*:1] COc1cc(ccc1C)C1(CC1)C(=O)NC[*:1]
NS(=O)(=O)c1ccc(CNC(=O)C2(c3ccccc3)CCC2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)C1(CCC1)[*:1]
NS(=O)(=O)c1ccc(CNC(=O)C2(c3ccccc3)CCC2)cc1 NS(=O)(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])C1(CCC1)c1ccccc1
Cc1ccc(C)c(OCc2nc(N)nc(C)c2C(N)=O)c1 NC(=O)[*:1] Cc1ccc(C)c(c1)OCc1nc(N)nc(C)c1[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)cc1F)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N(Cc1ccc(F)cc1F)c1ccccc1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccccc2)cc1 Fc1ccc(C[*:1])c(F)c1 COc1ccc(cc1)S(=O)(=O)N(c1ccccc1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccccc2)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccccc1
CCCN(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=S1(=O)CC[C@H](C1)N(Cc1csc(n1)-c1ccc(cc1)C(F)(F)F)[*:1]
CCCN(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] CCCN(Cc1csc(n1)-c1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
NC(=O)C1CCN(C(=O)C[S@@](=O)Cc2cccc3ccccc23)CC1 NC(=O)[*:1] O=C(C[S@@](=O)Cc1cccc2ccccc12)N1CCC(CC1)[*:1]
CC[C@H](C)C(=O)N[C@@H](CC[NH+](C)C)c1ccc(Cl)cc1 CC[C@H](C)[*:1] C[NH+](C)CC[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
CCOC(=O)[C@@H](CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C CCOC(=O)[C@@H](CC)[*:1] Cn1c(nnc1-c1c[nH]c2ccccc12)S[*:1]
CCOC(=O)[C@@H](CC)Sc1nnc(-c2c[nH]c3ccccc23)n1C CCOC(=O)[*:1] CC[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C)[*:1]
Cn1cnc(CNS(=O)(=O)c2cccs2)n1 c1csc(c1)[*:1] Cn1cnc(CNS(=O)(=O)[*:1])n1
COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC(C)C)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 CC(C)OC(=O)[*:1] COc1ccc(cc1)-c1nn(cc1[C@@H]1NC(=O)NC(C)=C1[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 COc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)OC(C)C)c1cn(nc1[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nn(cc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[*:1])-c1ccccc1
Cc1ccc(NC(=O)C[NH+]2CCCN(Cc3ccccc3F)S2(=O)=O)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)C[NH+]1CCCN(C[*:1])S1(=O)=O
Cc1ccc(NC(=O)C[NH+]2CCCN(Cc3ccccc3F)S2(=O)=O)cc1 Fc1ccccc1C[*:1] Cc1ccc(cc1)NC(=O)C[NH+]1CCCN(S1(=O)=O)[*:1]
Cc1ccc(NC(=O)C[NH+]2CCCN(Cc3ccccc3F)S2(=O)=O)cc1 Cc1ccc(cc1)[*:1] O=C(C[NH+]1CCCN(Cc2ccccc2F)S1(=O)=O)N[*:1]
CCC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1[O-] c1cc2OCOc2cc1[*:1] CCC(=O)N[C@@H](c1cc(c2cccnc2c1[O-])[N+](=O)[O-])[*:1]
CCC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1[O-] CCC(=O)N[*:1] O=[N+]([O-])c1cc(c([O-])c2ncccc12)[C@H](c1ccc2OCOc2c1)[*:1]
CCC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1[O-] O=[N+]([O-])[*:1] CCC(=O)N[C@@H](c1ccc2OCOc2c1)c1cc(c2cccnc2c1[O-])[*:1]
c1ccc([C@H]2COCCN2c2ncccn2)cc1 c1ccc(cc1)[*:1] c1cnc(nc1)N1CCOC[C@@H]1[*:1]
c1ccc([C@H]2COCCN2c2ncccn2)cc1 c1cnc(nc1)[*:1] c1ccc(cc1)[C@H]1COCCN1[*:1]
CCN(CC(=O)NC(C)(C)C)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 CC(C)(C)NC(=O)[*:1] CCN(C[*:1])C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C
CCN(CC(=O)NC(C)(C)C)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 CC(C)(C)[*:1] CCN(CC(=O)N[*:1])C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C
CSC[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] CSC[C@@H]1CCN(C1)S(=O)(=O)c1cc(C)c(F)c(c1)[*:1]
CSC[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 CSC[*:1] Cc1cc(cc(c1F)[N+](=O)[O-])S(=O)(=O)N1CC[C@H](C1)[*:1]
CCCNc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCNc1cc(Cl)ccc1[*:1]
CCCNc1cc(Cl)ccc1[N+](=O)[O-] CCC[*:1] O=[N+]([O-])c1ccc(Cl)cc1N[*:1]
CCCNc1cc(Cl)ccc1[N+](=O)[O-] CCCN[*:1] O=[N+]([O-])c1ccc(Cl)cc1[*:1]
O=C(Nc1nc2ccc(F)cc2s1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nc2ccc(F)cc2s1)c1ccccc1[N-]S(=O)(=O)[*:1]
COc1ccc(-c2ccc(C(=O)[O-])c(N)c2)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1ccc(c(N)c1)[*:1]
COC(=O)c1cc(NC(=O)c2cccnc2N2CCCCC2)ccc1Cl COC(=O)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1cccnc1N1CCCCC1
COC(=O)c1cc(NC(=O)c2cccnc2N2CCCCC2)ccc1Cl C1CCN(CC1)[*:1] COC(=O)c1cc(ccc1Cl)NC(=O)c1cccnc1[*:1]
C[NH2+][C@H](CCC(C)(C)C)C1([NH+]2CCCC2)CCCC1 CC(C)(C)CC[*:1] C[NH2+][C@H](C1(CCCC1)[NH+]1CCCC1)[*:1]
C[NH2+][C@H](CCC(C)(C)C)C1([NH+]2CCCC2)CCCC1 CC(C)(C)C[*:1] C[NH2+][C@H](C[*:1])C1(CCCC1)[NH+]1CCCC1
C[NH2+][C@H](CCC(C)(C)C)C1([NH+]2CCCC2)CCCC1 CC(C)(C)[*:1] C[NH2+][C@H](CC[*:1])C1(CCCC1)[NH+]1CCCC1
CNC(=O)C[NH+]1CCC(NC(=O)N(Cc2cccc(C)c2)C2CC2)CC1 C1CC1[*:1] CNC(=O)C[NH+]1CCC(CC1)NC(=O)N(Cc1cccc(C)c1)[*:1]
CNC(=O)C[NH+]1CCC(NC(=O)N(Cc2cccc(C)c2)C2CC2)CC1 CNC(=O)C[*:1] Cc1cccc(c1)CN(C(=O)NC1CC[NH+](CC1)[*:1])C1CC1
CNC(=O)C[NH+]1CCC(NC(=O)N(Cc2cccc(C)c2)C2CC2)CC1 CNC(=O)[*:1] Cc1cccc(c1)CN(C(=O)NC1CC[NH+](CC1)C[*:1])C1CC1
CNC(=O)C[NH+]1CCC(NC(=O)N(Cc2cccc(C)c2)C2CC2)CC1 Cc1cccc(c1)[*:1] CNC(=O)C[NH+]1CCC(CC1)NC(=O)N(C[*:1])C1CC1
CNC(=O)C[NH+]1CCC(NC(=O)N(Cc2cccc(C)c2)C2CC2)CC1 Cc1cccc(c1)C[*:1] CNC(=O)C[NH+]1CCC(CC1)NC(=O)N(C1CC1)[*:1]
CSc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)cc1F C1CC(CCO1)[*:1] CSc1ccc(cc1F)[C@H](C)[NH2+]C[C@@H](O)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2nc(-c3cccnc3)cs2)C1 CCOC[*:1] O=C(Nc1nc(cs1)-c1cccnc1)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2nc(-c3cccnc3)cs2)C1 c1cncc(c1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)Nc1nc(cs1)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2nc(-c3cccnc3)cs2)C1 CCO[*:1] O=C(Nc1nc(cs1)-c1cccnc1)N1CCC[C@@H](C1)C[*:1]
CCN1C(=O)Cc2cc(NS(=O)(=O)CCN3C(=O)CCCC3=O)ccc21 O=C1CCCC(=O)N1[*:1] CCN1C(=O)Cc2cc(ccc21)NS(=O)(=O)CC[*:1]
COc1cc(C)sc1C(=O)NNC(=O)c1cccc2ncccc12 COc1cc(C)sc1[*:1] O=C(NNC(=O)[*:1])c1cccc2ncccc12
Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2S(=O)(=O)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)Nc1ccccc1S(=O)(=O)[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2S(=O)(=O)C(C)C)cc1 CC(C)S(=O)(=O)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)Nc1ccccc1[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2S(=O)(=O)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)S(=O)(=O)c1ccccc1NC(=O)N[C@H](C)[*:1]
Cc1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1NC(=S)NC(=O)C[*:1]
Cc1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 Cc1ccccc1[*:1] O=C(Cc1ccc(Cl)cc1)NC(=S)N[*:1]
Cc1nn(-c2ccc(Cl)cc2)c(O)c1/C=N\c1nnc(-c2ccccc2)s1 Clc1ccc(cc1)[*:1] Cc1nn(c(O)c1/C=N\c1nnc(s1)-c1ccccc1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)c(O)c1/C=N\c1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nn(-c2ccc(Cl)cc2)c(O)c1/C=N\c1nnc(s1)[*:1]
CN(C(=O)Nc1cccs1)[C@@H]1CCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)Nc1cccs1)[C@@H]1CCC[C@@H]1[*:1]
CN(C(=O)Nc1cccs1)[C@@H]1CCC[C@H]1S(C)(=O)=O c1csc(c1)[*:1] CN(C(=O)N[*:1])[C@@H]1CCC[C@H]1S(C)(=O)=O
COc1ccc2c(c1)OC[C@H](C(=O)Oc1cccc(-n3cccn3)c1)C2 c1cnn(c1)[*:1] COc1ccc2C[C@H](COc2c1)C(=O)Oc1cccc(c1)[*:1]
Cc1nc(NCCNS(=O)(=O)c2ccc(C)c(C)c2)cc(N2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1nc(cc(n1)[*:1])NCCNS(=O)(=O)c1ccc(C)c(C)c1
Cc1nc(NCCNS(=O)(=O)c2ccc(C)c(C)c2)cc(N2CCOCC2)n1 Cc1ccc(cc1C)[*:1] Cc1nc(cc(n1)N1CCOCC1)NCCNS(=O)(=O)[*:1]
COCCCNC(=O)C1CCN(c2nnc(-c3ccc(C)cc3)o2)CC1 COCCCNC(=O)[*:1] Cc1ccc(cc1)-c1nnc(o1)N1CCC(CC1)[*:1]
COCCCNC(=O)C1CCN(c2nnc(-c3ccc(C)cc3)o2)CC1 COC[*:1] Cc1ccc(cc1)-c1nnc(o1)N1CCC(CC1)C(=O)NCC[*:1]
COCCCNC(=O)C1CCN(c2nnc(-c3ccc(C)cc3)o2)CC1 COCCC[*:1] Cc1ccc(cc1)-c1nnc(o1)N1CCC(CC1)C(=O)N[*:1]
COCCCNC(=O)C1CCN(c2nnc(-c3ccc(C)cc3)o2)CC1 COCC[*:1] Cc1ccc(cc1)-c1nnc(o1)N1CCC(CC1)C(=O)NC[*:1]
COCCCNC(=O)C1CCN(c2nnc(-c3ccc(C)cc3)o2)CC1 Cc1ccc(cc1)[*:1] COCCCNC(=O)C1CCN(CC1)c1nnc(o1)[*:1]
CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cn1 CN(C)[*:1] O=C(N[C@@H](CO)C(=O)[O-])c1ccc(nc1)[*:1]
CN(C)c1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cn1 O=C([O-])[*:1] CN(C)c1ccc(cn1)C(=O)N[C@@H](CO)[*:1]
Cc1cccc(NNC(=O)c2ccccc2SCc2cccs2)c1 c1csc(c1)[*:1] Cc1cccc(c1)NNC(=O)c1ccccc1SC[*:1]
Cc1cccc(NNC(=O)c2ccccc2SCc2cccs2)c1 c1csc(c1)C[*:1] Cc1cccc(c1)NNC(=O)c1ccccc1S[*:1]
Cc1cccc(NNC(=O)c2ccccc2SCc2cccs2)c1 c1csc(c1)CS[*:1] Cc1cccc(c1)NNC(=O)c1ccccc1[*:1]
Cc1cccc(NNC(=O)c2ccccc2SCc2cccs2)c1 Cc1cccc(c1)[*:1] O=C(NN[*:1])c1ccccc1SCc1cccs1
CCOC(=O)C1=C(CN(C)Cc2ccc(Cl)c(Cl)c2)NC(=O)N[C@H]1C Clc1ccc(cc1Cl)[*:1] CCOC(=O)C1=C(CN(C)C[*:1])NC(=O)N[C@H]1C
CCOC(=O)C1=C(CN(C)Cc2ccc(Cl)c(Cl)c2)NC(=O)N[C@H]1C CCOC(=O)[*:1] C[C@@H]1NC(=O)NC(CN(C)Cc2ccc(Cl)c(Cl)c2)=C1[*:1]
CCN(c1ccccc1)S(=O)(=O)[C@H]1C(C)=NC(C)=C1C(=O)N1CCCC1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)[C@H]1C(C)=NC(C)=C1C(=O)N1CCCC1)[*:1]
CCN(c1ccccc1)S(=O)(=O)[C@H]1C(C)=NC(C)=C1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CCN(c1ccccc1)S(=O)(=O)[C@H]1C(C)=NC(C)=C1[*:1]
C[C@@H](O)CNC(=O)c1cccc(Oc2nc3ccccc3s2)c1 C[C@@H](O)[*:1] O=C(NC[*:1])c1cccc(c1)Oc1nc2ccccc2s1
C[C@@H](O)CNC(=O)c1cccc(Oc2nc3ccccc3s2)c1 C[C@@H](O)CNC(=O)[*:1] c1cc(cc(c1)[*:1])Oc1nc2ccccc2s1
C[C@@H](O)CNC(=O)c1cccc(Oc2nc3ccccc3s2)c1 C[C@@H](O)C[*:1] O=C(N[*:1])c1cccc(c1)Oc1nc2ccccc2s1
CC(C)(C)OCc1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1 CC(C)(C)O[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cccc(c1)-n1cccn1
CC(C)(C)OCc1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)CO[*:1])c1cccc(c1)-n1cccn1
CC(C)(C)OCc1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1 CC(C)(C)OC[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)-n1cccn1
CC(C)(C)OCc1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1 c1cnn(c1)[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)c1csc(C#CCO)c1 CC(C)[*:1] O=C(N[*:1])c1csc(C#CCO)c1
CC(C)NC(=O)c1csc(C#CCO)c1 OCC#C[*:1] CC(C)NC(=O)c1csc(c1)[*:1]
C[NH2+][C@H](Cc1ccsc1)[C@]1(N(C)C)CCC[C@@H](C)C1 c1cc(cs1)[*:1] C[NH2+][C@H](C[*:1])[C@@]1(CCC[C@@H](C)C1)N(C)C
C[NH2+][C@H](Cc1ccsc1)[C@]1(N(C)C)CCC[C@@H](C)C1 CN(C)[*:1] C[NH2+][C@H](Cc1ccsc1)[C@@]1(CCC[C@@H](C)C1)[*:1]
C[NH2+][C@H](Cc1ccsc1)[C@]1(N(C)C)CCC[C@@H](C)C1 c1cc(cs1)C[*:1] C[NH2+][C@H]([C@@]1(CCC[C@@H](C)C1)N(C)C)[*:1]
CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)[*:1]
CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)c1cccc(C#N)c1 FC(F)[*:1] CN(Cc1nc2ccccc2n1[*:1])S(=O)(=O)c1cccc(C#N)c1
CCOC1CCN(c2cc(CSC)ccn2)CC1 CSC[*:1] CCOC1CCN(CC1)c1cc(ccn1)[*:1]
CCOC1CCN(c2cc(CSC)ccn2)CC1 CCO[*:1] CSCc1ccnc(c1)N1CCC(CC1)[*:1]
O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 c1ccc(cc1)O[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(cc1)N1CCCC1=O
O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)O[*:1])c1ccc(cc1)N1CCCC1=O
O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(NCc1ccc(cc1)Oc1ccccc1)c1ccc(cc1)[*:1]
CCOC(OCC)[C@@H]([NH3+])[C@H]1CCOC2(CCCC2)C1 CCO[*:1] CCOC([C@@H]([NH3+])[C@H]1CCOC2(CCCC2)C1)[*:1]
C=C[C@H](C)Oc1ccc(C[C@@H](C)[NH3+])nc1 C[C@@H]([NH3+])C[*:1] C=C[C@H](C)Oc1ccc(nc1)[*:1]
C=C[C@H](C)Oc1ccc(C[C@@H](C)[NH3+])nc1 C=C[C@H](C)O[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)[*:1]
C=C[C@H](C)Oc1ccc(C[C@@H](C)[NH3+])nc1 C=C[C@H](C)[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)O[*:1]
CCCn1c(CN2CCC[C@H](OC)C2)nc2ccccc21 CCC[*:1] CO[C@H]1CCCN(Cc2nc3ccccc3n2[*:1])C1
Cc1ccsc1CNc1cc(C(N)=O)ccc1N Cc1ccsc1[*:1] NC(=O)c1ccc(N)c(c1)NC[*:1]
Cc1ccsc1CNc1cc(C(N)=O)ccc1N NC(=O)[*:1] Cc1ccsc1CNc1cc(ccc1N)[*:1]
Fc1cc(F)cc(CN2CCN(Cc3nccn3C(F)F)CC2)c1 FC(F)[*:1] Fc1cc(F)cc(c1)CN1CCN(CC1)Cc1nccn1[*:1]
Fc1cc(F)cc(CN2CCN(Cc3nccn3C(F)F)CC2)c1 Fc1cc(F)cc(c1)[*:1] FC(F)n1ccnc1CN1CCN(CC1)C[*:1]
Fc1cc(F)cc(CN2CCN(Cc3nccn3C(F)F)CC2)c1 FC(F)n1ccnc1[*:1] Fc1cc(F)cc(c1)CN1CCN(CC1)C[*:1]
O=C(Nc1ccc[nH+]c1N1CCCC1)NC1(CO)CCCC1 OCC1(CCCC1)[*:1] O=C(Nc1ccc[nH+]c1N1CCCC1)N[*:1]
O=C(Nc1ccc[nH+]c1N1CCCC1)NC1(CO)CCCC1 C1CCN(C1)[*:1] O=C(Nc1ccc[nH+]c1[*:1])NC1(CO)CCCC1
COc1cccc(OCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1 c1ccc2sc(nc2c1)[*:1] COc1cccc(c1)OCC(=O)N(C[C@H]1CCCO1)[*:1]
COc1cccc(OCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1 COc1cccc(c1)O[*:1] O=C(C[*:1])N(C[C@H]1CCCO1)c1nc2ccccc2s1
COc1cccc(OCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1 COc1cccc(c1)[*:1] O=C(CO[*:1])N(C[C@H]1CCCO1)c1nc2ccccc2s1
CSc1cccc(NC(=O)[C@H](C)[n+]2ccn(-c3cccc(F)c3C(C)=O)c2)c1 CC(=O)[*:1] CSc1cccc(c1)NC(=O)[C@H](C)[n+]1ccn(c1)-c1cccc(F)c1[*:1]
CSc1cccc(NC(=O)[C@H](C)[n+]2ccn(-c3cccc(F)c3C(C)=O)c2)c1 CSc1cccc(c1)[*:1] CC(=O)c1c(F)cccc1-n1cc[n+](c1)[C@@H](C)C(=O)N[*:1]
CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc21 C1CC1[*:1] CC1(C)CN(C(=O)[*:1])c2ccc(cc21)S(=O)(=O)N(Cc1ccco1)C[C@@H]1CCCO1
CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc21 c1coc(c1)C[*:1] CC1(C)CN(C(=O)C2CC2)c2ccc(cc21)S(=O)(=O)N(C[C@@H]1CCCO1)[*:1]
CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc21 c1coc(c1)[*:1] CC1(C)CN(C(=O)C2CC2)c2ccc(cc21)S(=O)(=O)N(C[C@@H]1CCCO1)C[*:1]
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c1 Cc1ccc(F)c(c1)[*:1] C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NNC(=S)N[*:1]
Cc1ccc(F)c(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] Cc1ccc(F)c(c1)NC(=S)NNC(=O)[C@@H](C)O[*:1]
COCc1ccccc1C(=O)OCc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] COCc1ccccc1C(=O)OCc1nc(no1)[*:1]
COCc1ccccc1C(=O)OCc1nc(-c2ccccc2)no1 COC[*:1] O=C(OCc1nc(no1)-c1ccccc1)c1ccccc1[*:1]
COC(=O)c1cccc(Oc2ncnc3sc(C)c(C)c23)c1 COC(=O)[*:1] Cc1sc2ncnc(Oc3cccc(c3)[*:1])c2c1C
O=C([O-])C[C@@H]1CCCN(c2ccc3nnnn3n2)C1 O=C([O-])C[*:1] c1cc2nnnn2nc1N1CCC[C@H](C1)[*:1]
O=C([O-])C[C@@H]1CCCN(c2ccc3nnnn3n2)C1 O=C([O-])[*:1] c1cc2nnnn2nc1N1CCC[C@H](C1)C[*:1]
CC(C)C[C@H](C)NC(=O)c1ccccc1Br CC(C)C[*:1] C[C@H](NC(=O)c1ccccc1Br)[*:1]
CC(C)C[C@H](C)NC(=O)c1ccccc1Br CC(C)[*:1] C[C@@H](C[*:1])NC(=O)c1ccccc1Br
Cc1cc([C@H](O)COC(C)C)c2ccccc2[nH+]1 CC(C)OC[*:1] Cc1cc(c2ccccc2[nH+]1)[C@H](O)[*:1]
Cc1cc([C@H](O)COC(C)C)c2ccccc2[nH+]1 CC(C)O[*:1] Cc1cc(c2ccccc2[nH+]1)[C@H](O)C[*:1]
Cc1cc([C@H](O)COC(C)C)c2ccccc2[nH+]1 CC(C)[*:1] Cc1cc(c2ccccc2[nH+]1)[C@H](O)CO[*:1]
FC(F)C(F)(F)CN1CC[NH+](CCCc2ccc(Cl)cc2)CC1 FC(F)C(F)(F)[*:1] Clc1ccc(cc1)CCC[NH+]1CCN(CC1)C[*:1]
FC(F)C(F)(F)CN1CC[NH+](CCCc2ccc(Cl)cc2)CC1 FC(F)[*:1] FC(F)(CN1CC[NH+](CCCc2ccc(Cl)cc2)CC1)[*:1]
FC(F)C(F)(F)CN1CC[NH+](CCCc2ccc(Cl)cc2)CC1 FC(F)C(F)(F)C[*:1] Clc1ccc(cc1)CCC[NH+]1CCN(CC1)[*:1]
FC(F)C(F)(F)CN1CC[NH+](CCCc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] FC(F)C(F)(F)CN1CC[NH+](CCC[*:1])CC1
CC(C)CC[NH+]1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1 CC(C)C[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])c1ccccc1C(F)(F)F
CC(C)CC[NH+]1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1 CC(C)[*:1] O=C(NCC1CC[NH+](CC1)CC[*:1])c1ccccc1C(F)(F)F
CC(C)CC[NH+]1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1 CC(C)CC[*:1] O=C(NCC1CC[NH+](CC1)[*:1])c1ccccc1C(F)(F)F
CC(C)CC[NH+]1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)CC[NH+]1CCC(CC1)CNC(=O)c1ccccc1[*:1]
C[C@@H](C(=O)Nc1ccccc1-n1cncn1)[NH+](C)C c1ncn(n1)[*:1] C[C@@H](C(=O)Nc1ccccc1[*:1])[NH+](C)C
COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)CN(C)S(=O)(=O)[*:1]
COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] CN(CC(=O)NC[*:1])S(=O)(=O)c1ccc(Cl)cc1
Cc1cccc(NC(=O)CCSc2nnc(-c3cc(C)on3)o2)c1 Cc1cc(no1)[*:1] Cc1cccc(c1)NC(=O)CCSc1nnc(o1)[*:1]
Cc1cccc(NC(=O)CCSc2nnc(-c3cc(C)on3)o2)c1 Cc1cccc(c1)[*:1] Cc1cc(no1)-c1nnc(o1)SCCC(=O)N[*:1]
COc1ccccc1CNC(=O)[C@@H]1c2ccccc2CCN1C(=O)C1CC1 C1CC1[*:1] COc1ccccc1CNC(=O)[C@@H]1c2ccccc2CCN1C(=O)[*:1]
COc1ccccc1CNC(=O)[C@@H]1c2ccccc2CCN1C(=O)C1CC1 COc1ccccc1C[*:1] O=C(N[*:1])[C@@H]1c2ccccc2CCN1C(=O)C1CC1
COc1ccccc1CNC(=O)[C@@H]1c2ccccc2CCN1C(=O)C1CC1 COc1ccccc1[*:1] O=C(NC[*:1])[C@@H]1c2ccccc2CCN1C(=O)C1CC1
CCCn1c(S(=O)(=O)CCCC(C)(C)C#N)n[nH]c1=O CCC[*:1] CC(C)(C#N)CCCS(=O)(=O)c1n[nH]c(=O)n1[*:1]
CCCn1c(S(=O)(=O)CCCC(C)(C)C#N)n[nH]c1=O CC(C)(C#N)C[*:1] CCCn1c(n[nH]c1=O)S(=O)(=O)CC[*:1]
CCCn1c(S(=O)(=O)CCCC(C)(C)C#N)n[nH]c1=O CC(C)(C#N)[*:1] CCCn1c(n[nH]c1=O)S(=O)(=O)CCC[*:1]
CN(C(=O)CCc1nc2ccccc2c(=O)n1C1CC1)c1ccc(F)cc1 C1CC1[*:1] CN(C(=O)CCc1nc2ccccc2c(=O)n1[*:1])c1ccc(F)cc1
CN(C(=O)CCc1nc2ccccc2c(=O)n1C1CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)CCc1nc2ccccc2c(=O)n1C1CC1)[*:1]
C[C@@H]1CCN(C(=O)c2cccc(N3CCNC3=O)c2)c2ccccc2S1 O=C1NCCN1[*:1] C[C@@H]1CCN(C(=O)c2cccc(c2)[*:1])c2ccccc2S1
Cc1ccccc1[C@@H](C(=O)NCc1nc2ccccc2c(=O)[nH]1)[NH+](C)C Cc1ccccc1[*:1] C[NH+](C)[C@H](C(=O)NCc1nc2ccccc2c(=O)[nH]1)[*:1]
COC(=O)c1cccc(CCNC(=O)Cn2ccc(=O)c3ccccc32)c1 COC(=O)[*:1] O=C(Cn1ccc(=O)c2ccccc21)NCCc1cccc(c1)[*:1]
CC[C@H](CSC)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F CSC[*:1] CC[C@H](N(C)S(=O)(=O)c1ccc(cc1F)[N+](=O)[O-])[*:1]
CC[C@H](CSC)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] CC[C@H](CSC)N(C)S(=O)(=O)c1ccc(cc1F)[*:1]
C[C@@H](C(=O)NCCOc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O Clc1ccc(cc1)[*:1] C[C@@H](C(=O)NCCO[*:1])N1C(=O)[C@H]2CCCC[C@@H]2C1=O
C[C@@H](C(=O)NCCOc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O Clc1ccc(cc1)O[*:1] C[C@@H](C(=O)NCC[*:1])N1C(=O)[C@H]2CCCC[C@@H]2C1=O
CC[C@H]1CCCC[C@H]1n1cc(C(=O)[O-])c(=O)[nH]c1=O O=C([O-])[*:1] CC[C@H]1CCCC[C@H]1n1cc(c(=O)[nH]c1=O)[*:1]
CCC[C@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 CCC[*:1] O=C(c1cc(n[nH]1)-c1cccs1)N1CCC[C@@H](CC1)[*:1]
CCC[C@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 c1csc(c1)[*:1] CCC[C@H]1CCCN(CC1)C(=O)c1cc(n[nH]1)[*:1]
CC(C)c1ccc(NC(=O)COCC(N)=O)cc1 NC(=O)[*:1] CC(C)c1ccc(cc1)NC(=O)COC[*:1]
CC(C)c1ccc(NC(=O)COCC(N)=O)cc1 NC(=O)CO[*:1] CC(C)c1ccc(cc1)NC(=O)C[*:1]
CC(C)c1ccc(NC(=O)COCC(N)=O)cc1 CC(C)[*:1] NC(=O)COCC(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)COCC(N)=O)cc1 NC(=O)C[*:1] CC(C)c1ccc(cc1)NC(=O)CO[*:1]
CC(C)c1ccc(NC(=O)COCC(N)=O)cc1 NC(=O)COC[*:1] CC(C)c1ccc(cc1)NC(=O)[*:1]
CCN(CC(=O)NC)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 CNC(=O)[*:1] CCN(C[*:1])C(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)OC
CCN(CC(=O)NC)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CCN(CC(=O)NC)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCN(CC(=O)NC)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 CNC(=O)C[*:1] CCN(C(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)OC)[*:1]
OCCNc1nc(CC2CC2)[nH+]c2c1CCN(Cc1ccsc1)CC2 OCC[*:1] c1cc(cs1)CN1CCc2[nH+]c(CC3CC3)nc(N[*:1])c2CC1
OCCNc1nc(CC2CC2)[nH+]c2c1CCN(Cc1ccsc1)CC2 C1CC1C[*:1] OCCNc1nc([nH+]c2CCN(CCc12)Cc1ccsc1)[*:1]
OCCNc1nc(CC2CC2)[nH+]c2c1CCN(Cc1ccsc1)CC2 OCCN[*:1] c1cc(cs1)CN1CCc2[nH+]c(CC3CC3)nc(c2CC1)[*:1]
OCCNc1nc(CC2CC2)[nH+]c2c1CCN(Cc1ccsc1)CC2 C1CC1[*:1] OCCNc1nc(C[*:1])[nH+]c2CCN(CCc12)Cc1ccsc1
OCCNc1nc(CC2CC2)[nH+]c2c1CCN(Cc1ccsc1)CC2 c1cc(cs1)[*:1] OCCNc1nc(CC2CC2)[nH+]c2CCN(CCc12)C[*:1]
OCCNc1nc(CC2CC2)[nH+]c2c1CCN(Cc1ccsc1)CC2 c1cc(cs1)C[*:1] OCCNc1nc(CC2CC2)[nH+]c2CCN(CCc12)[*:1]
CCOc1ccc2c(C(=O)N(C)Cc3ccnn3CC)cc(=O)oc2c1 CCn1nccc1[*:1] CCOc1ccc2c(cc(=O)oc2c1)C(=O)N(C)C[*:1]
CCOc1ccc2c(C(=O)N(C)Cc3ccnn3CC)cc(=O)oc2c1 CCO[*:1] CCn1nccc1CN(C)C(=O)c1cc(=O)oc2cc(ccc12)[*:1]
CCOc1ccc2c(C(=O)N(C)Cc3ccnn3CC)cc(=O)oc2c1 CCn1nccc1C[*:1] CCOc1ccc2c(cc(=O)oc2c1)C(=O)N(C)[*:1]
COc1ccc(NC(=O)[C@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CSc2nc(cc(=O)n2C1)[*:1]
COc1ccc(NC(=O)[C@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)c1cc(=O)n2C[C@H](CSc2n1)C(=O)N[*:1]
C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1ccccc1 CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])[C@H](O)Cc1ccccc1
C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C[*:1]
C[C@H]1CCC[C@@H](NC(=O)CN2CCN(c3ncc(C(N)=O)cc3Cl)CC2)C1 NC(=O)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)CN1CCN(CC1)c1ncc(cc1Cl)[*:1]
Cc1ccc(C)c(C(=O)CCC(=O)Nc2cc(C)on2)c1 Cc1cc(no1)[*:1] Cc1ccc(C)c(c1)C(=O)CCC(=O)N[*:1]
N/C(=N\C(=O)CCn1nc2ccccn2c1=O)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] N/C(=N\C(=O)CCn1nc2ccccn2c1=O)[*:1]
CCn1cc([C@H]2OCC[C@@H]2C[NH2+][C@@H](C)c2nc(C)no2)cn1 Cc1noc(n1)[*:1] CCn1cc(cn1)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C)[*:1]
CCn1cc([C@H]2OCC[C@@H]2C[NH2+][C@@H](C)c2nc(C)no2)cn1 CCn1cc(cn1)[*:1] Cc1noc(n1)[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)/C=C(/C)c2ccccc2F)CC1 CC[C@H](C)[*:1] C/C(=C/C(=O)N1CCN(CC1)CC(=O)N[*:1])c1ccccc1F
CC[C@H](C)NC(=O)CN1CCN(C(=O)/C=C(/C)c2ccccc2F)CC1 Fc1ccccc1[*:1] CC[C@H](C)NC(=O)CN1CCN(CC1)C(=O)C=C(C)[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)/C=C(/C)c2ccccc2F)CC1 CC[C@H](C)NC(=O)C[*:1] C/C(=C/C(=O)N1CCN(CC1)[*:1])c1ccccc1F
CC[C@H](C)NC(=O)CN1CCN(C(=O)/C=C(/C)c2ccccc2F)CC1 CC[C@H](C)NC(=O)[*:1] C/C(=C/C(=O)N1CCN(CC1)C[*:1])c1ccccc1F
CC(=O)Nc1ccc([S@](=O)Cc2nc3ccccc3n2C(F)F)cc1 FC(F)[*:1] CC(=O)Nc1ccc(cc1)[S@](=O)Cc1nc2ccccc2n1[*:1]
CC(=O)Nc1ccc([S@](=O)Cc2nc3ccccc3n2C(F)F)cc1 CC(=O)N[*:1] O=[S@](Cc1nc2ccccc2n1C(F)F)c1ccc(cc1)[*:1]
COC(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3 COC(=O)CS[*:1] O=c1c2c3CCCCc3sc2nc(n1C[C@@H]1CCCO1)[*:1]
COC(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3 C1CO[C@@H](C1)C[*:1] COC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1[*:1]
COC(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3 COC(=O)[*:1] O=c1c2c3CCCCc3sc2nc(SC[*:1])n1C[C@@H]1CCCO1
COC(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3 COC(=O)C[*:1] O=c1c2c3CCCCc3sc2nc(S[*:1])n1C[C@@H]1CCCO1
COc1ccccc1NC(=O)C/C=C/c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)CC=C[*:1]
CN1CCN(C(=O)Nc2ccccc2Br)Cc2ccccc21 Brc1ccccc1[*:1] CN1CCN(Cc2ccccc21)C(=O)N[*:1]
C[C@@](O)(c1cccc(Cl)c1)[C@H]1CCOC2(CCOCC2)C1 Clc1cccc(c1)[*:1] C[C@@](O)([C@H]1CCOC2(CCOCC2)C1)[*:1]
O=C(CNC(=O)C(=O)Nc1cc(F)ccc1Cl)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)C(=O)Nc1cc(F)ccc1Cl)N[*:1]
O=C(CNC(=O)C(=O)Nc1cc(F)ccc1Cl)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)C(=O)Nc1cc(F)ccc1Cl)NC[*:1]
O=C(CNC(=O)C(=O)Nc1cc(F)ccc1Cl)NCc1ccccc1 Fc1ccc(Cl)c(c1)[*:1] O=C(CNC(=O)C(=O)N[*:1])NCc1ccccc1
CC(C)[C@H](O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)[C@H](O)c1cccc(c1)[*:1]
CC(C)[C@H](O)c1cccc([N+](=O)[O-])c1 CC(C)[*:1] O=[N+]([O-])c1cccc(c1)[C@@H](O)[*:1]
CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc2ncccc12 O=[N+]([O-])[*:1] CN(C(=O)c1cc(Cl)ccc1[*:1])c1cccc2ncccc12
CCOc1nc(Cl)nc2[nH]nc(SC)c12 CCO[*:1] CSc1n[nH]c2nc(Cl)nc(c12)[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1c(F)cccc1F CSC[*:1] CC[C@H](N(C)C(=O)Nc1c(F)cccc1F)[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)NCCC[NH+]1CCN(CC1)[*:1]
Cc1ccnc(N2CCC[C@@H]2c2noc(C(C)C)n2)n1 CC(C)[*:1] Cc1ccnc(n1)N1CCC[C@@H]1c1noc(n1)[*:1]
Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(Cc2ccccc2)CO3)C1=O c1ccc(cc1)C[*:1] Cc1ccsc1/C=C1\Oc2c(ccc3OCN(Cc32)[*:1])C1=O
Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(Cc2ccccc2)CO3)C1=O Cc1ccsc1[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(Cc3ccccc3)Cc12
Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(Cc2ccccc2)CO3)C1=O c1ccc(cc1)[*:1] Cc1ccsc1/C=C1\Oc2c(ccc3OCN(Cc32)C[*:1])C1=O
CC(C)c1nn(C)cc1CNc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 CC(C)c1nn(C)cc1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Cn1cc(cn1)NC[*:1]
CC(C)c1nn(C)cc1CNc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Cn1cc(cn1)NCc1cn(C)nc1[*:1]
COc1ccc(C(=O)CCC(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc1 COc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])Nc1ccc(c(Cl)c1)-n1ccnc1
COc1ccc(C(=O)CCC(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc1 c1cn(cn1)[*:1] COc1ccc(cc1)C(=O)CCC(=O)Nc1ccc(c(Cl)c1)[*:1]
CCC(CC)NC(=O)[C@H](C)[S@](=O)Cc1cc(C)ccc1C CCC(CC)[*:1] Cc1ccc(C)c(c1)C[S@@](=O)[C@@H](C)C(=O)N[*:1]
CC(C)[C@@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)C1CC1 CC(C)[*:1] C1CCN2C[C@H](C[NH2+][C@@H](C3CC3)[*:1])OC[C@H]2C1
CC(C)[C@@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)C1CC1 C1CC1[*:1] CC(C)[C@@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
C[C@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@H](C)CO1 CS(=O)(=O)N[*:1] C[C@H]1CN(C(=O)[C@@H](C)[*:1])[C@H](C)CO1
COc1cc([C@@H]2C/C(=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)NN2)cc(OC)c1O c1ccc(cc1)C[*:1] COc1cc(cc(OC)c1O)[C@@H]1C/C(NN1)=C1\C(=O)NC(=O)N(C1=O)[*:1]
COc1cc([C@@H]2C/C(=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)NN2)cc(OC)c1O c1ccc(cc1)[*:1] COc1cc(cc(OC)c1O)[C@@H]1C/C(NN1)=C1\C(=O)NC(=O)N(C[*:1])C1=O
O=C(NCCC(F)(F)F)C(=O)Nc1cccc(F)c1 FC(F)(F)C[*:1] O=C(NC[*:1])C(=O)Nc1cccc(F)c1
O=C(NCCC(F)(F)F)C(=O)Nc1cccc(F)c1 FC(F)(F)[*:1] O=C(NCC[*:1])C(=O)Nc1cccc(F)c1
O=C(NCCC(F)(F)F)C(=O)Nc1cccc(F)c1 FC(F)(F)CC[*:1] O=C(Nc1cccc(F)c1)C(=O)N[*:1]
CCc1ccc(N2C[C@@H](C(=O)N(CC)c3cccnc3)CC2=O)cc1 CCc1ccc(cc1)[*:1] CCN(C(=O)[C@H]1CC(=O)N(C1)[*:1])c1cccnc1
CCc1ccc(N2C[C@@H](C(=O)N(CC)c3cccnc3)CC2=O)cc1 c1cncc(c1)[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N(CC)[*:1]
CC[S@](=O)c1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 c1ccc(cc1)[*:1] CC[S@](=O)c1ccccc1C(=O)N[C@@H](c1ccc(cc1)OC)[*:1]
CC[S@](=O)c1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[S@](=O)c1ccccc1C(=O)N[C@@H](c1ccccc1)[*:1]
O=C1NC2(CC[NH2+]CC2)C(=O)N1CCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1NC2(CC[NH2+]CC2)C(=O)N1CCc1cccc(c1)[*:1]
CC(=O)c1ccc(C)cc1OCC(=O)N1CCCCCCC1 CC(=O)[*:1] Cc1ccc(c(c1)OCC(=O)N1CCCCCCC1)[*:1]
NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)cc1 O=C([O-])[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)N1CC[C@@H](C1)c1ccccc1[*:1]
NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)cc1 NS(=O)(=O)[*:1] O=C([O-])c1ccccc1[C@H]1CCN(C1)C(=O)c1ccc(cc1)[*:1]
CC(C)c1cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)on1 CC(C)[*:1] O=C(CCC1CCCC1)N1CCN(CC1)C(=O)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)on1 C1CCC(C1)CC[*:1] CC(C)c1cc(on1)C(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)c1cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)on1 C1CCC(C1)[*:1] CC(C)c1cc(on1)C(=O)N1CCN(CC1)C(=O)CC[*:1]
CC(C)c1cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)on1 CC(C)c1cc(on1)[*:1] O=C(CCC1CCCC1)N1CCN(CC1)C(=O)[*:1]
CC(C)c1cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)on1 C1CCC(C1)C[*:1] CC(C)c1cc(on1)C(=O)N1CCN(CC1)C(=O)C[*:1]
C[C@@H](O)C[C@H]1CCCCN1S(=O)(=O)N1CCCC[C@H]1C C[C@@H](O)[*:1] C[C@@H]1CCCCN1S(=O)(=O)N1CCCC[C@@H]1C[*:1]
C[C@@H](O)C[C@H]1CCCCN1S(=O)(=O)N1CCCC[C@H]1C C[C@@H](O)C[*:1] C[C@@H]1CCCCN1S(=O)(=O)N1CCCC[C@@H]1[*:1]
CC(C)(C)NC(=O)CNC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 CC(C)(C)NC(=O)C[*:1] O=C(NCc1ccc(cc1)Oc1ccc(F)cc1)N[*:1]
CC(C)(C)NC(=O)CNC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 CC(C)(C)NC(=O)[*:1] O=C(NCc1ccc(cc1)Oc1ccc(F)cc1)NC[*:1]
CC(C)(C)NC(=O)CNC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 CC(C)(C)[*:1] O=C(CNC(=O)NCc1ccc(cc1)Oc1ccc(F)cc1)N[*:1]
CC(C)(C)NC(=O)CNC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)NC(=O)CNC(=O)NCc1ccc(cc1)O[*:1]
CC(C)(C)NC(=O)CNC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)O[*:1] CC(C)(C)NC(=O)CNC(=O)NCc1ccc(cc1)[*:1]
C#CCCN1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 CC(C)(C)O[*:1] C#CCCN1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
C#CCCN1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 C#CC[*:1] CC(C)(C)Oc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C[*:1]
C#CCCN1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 O=[N+]([O-])[*:1] C#CCCN1CCN(CC1)c1ccc(c(c1)OC(C)(C)C)[*:1]
C#CCCN1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 CC(C)(C)[*:1] C#CCCN1CCN(CC1)c1ccc(c(c1)O[*:1])[N+](=O)[O-]
C#CCCN1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 C#CCC[*:1] CC(C)(C)Oc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)[*:1]
Cc1cc(OCC(=O)[O-])nc(-n2nc(C)cc2C)n1 O=C([O-])C[*:1] Cc1cc(nc(n1)-n1nc(C)cc1C)O[*:1]
Cc1cc(OCC(=O)[O-])nc(-n2nc(C)cc2C)n1 O=C([O-])CO[*:1] Cc1cc(nc(n1)-n1nc(C)cc1C)[*:1]
Cc1cc(OCC(=O)[O-])nc(-n2nc(C)cc2C)n1 O=C([O-])[*:1] Cc1cc(nc(n1)-n1nc(C)cc1C)OC[*:1]
Cc1cc(Br)c(C)c(S(=O)(=O)NCC(C)C)c1C CC(C)C[*:1] Cc1cc(Br)c(C)c(c1C)S(=O)(=O)N[*:1]
Cc1cc(Br)c(C)c(S(=O)(=O)NCC(C)C)c1C CC(C)[*:1] Cc1cc(Br)c(C)c(c1C)S(=O)(=O)NC[*:1]
COc1ccc(CC(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)-c1nc(no1)-c1ccccc1)[*:1]
COc1ccc(CC(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1nc(no1)-c1ccccc1
COc1ccc(CC(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(cc1)-c1nc(no1)[*:1]
C[NH2+][C@H](Cc1ccc(O)cc1)C(C)(C)OC COC(C)(C)[*:1] C[NH2+][C@H](Cc1ccc(O)cc1)[*:1]
Nc1nc2cc(Cl)c(Cl)cc2n1CCc1ccccc1F Fc1ccccc1[*:1] Nc1nc2cc(Cl)c(Cl)cc2n1CC[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)CC(C)(C)C CC(C)(C)[*:1] COc1ccccc1C[C@@H](C)N(C)C(=O)C[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)CC(C)(C)C CC(C)(C)C[*:1] COc1ccccc1C[C@@H](C)N(C)C(=O)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccc(F)cc3F)on2)cc1 CN(C)S(=O)(=O)[*:1] O=C(OCc1cc(on1)-c1ccc(F)cc1F)c1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccc(F)cc3F)on2)cc1 Fc1ccc(c(F)c1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)OCc1cc(on1)[*:1]
CCn1c(C)cc(C[NH2+]CC(C)(C)NS(C)(=O)=O)c1C CS(=O)(=O)N[*:1] CCn1c(C)cc(C[NH2+]CC(C)(C)[*:1])c1C
CC[C@]1(C)C[NH2+][C@@H](C)CN1Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CC[C@]1(C)C[NH2+][C@@H](C)CN1Cc1nc(cs1)[*:1]
O=C(NCCCc1ccccc1)c1cc(C[NH+]2CCC(O)CC2)on1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])c1cc(C[NH+]2CCC(O)CC2)on1
O=C(NCCCc1ccccc1)c1cc(C[NH+]2CCC(O)CC2)on1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])c1cc(C[NH+]2CCC(O)CC2)on1
O=C(NCCCc1ccccc1)c1cc(C[NH+]2CCC(O)CC2)on1 c1ccc(cc1)CC[*:1] O=C(NC[*:1])c1cc(C[NH+]2CCC(O)CC2)on1
CC1(C)Cc2nc3nc([O-])n(Cc4ccco4)c(=O)c3cc2CO1 c1coc(c1)[*:1] CC1(C)Cc2nc3nc([O-])n(C[*:1])c(=O)c3cc2CO1
CC1(C)Cc2nc3nc([O-])n(Cc4ccco4)c(=O)c3cc2CO1 c1coc(c1)C[*:1] CC1(C)Cc2nc3nc([O-])n(c(=O)c3cc2CO1)[*:1]
COc1ccc(Cl)cc1Nc1nc(N)c(C(=O)c2ccccc2)s1 O=C(c1ccccc1)[*:1] COc1ccc(Cl)cc1Nc1nc(N)c(s1)[*:1]
COc1ccc(Cl)cc1Nc1nc(N)c(C(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1Nc1nc(N)c(s1)C(=O)[*:1]
CC(C)(C)[C@@H]1CCC(=O)[C@H](C2CCCC2)C1 CC(C)(C)[*:1] O=C1CC[C@H](C[C@H]1C1CCCC1)[*:1]
CC(C)(C)[C@@H]1CCC(=O)[C@H](C2CCCC2)C1 C1CCC(C1)[*:1] CC(C)(C)[C@@H]1CCC(=O)[C@H](C1)[*:1]
CC(C)c1cccc(NC(=O)Nc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] CC(C)c1cccc(c1)NC(=O)N[*:1]
CC(C)c1cccc(NC(=O)Nc2cnn(C)c2)c1 CC(C)[*:1] Cn1cc(cn1)NC(=O)Nc1cccc(c1)[*:1]
C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cnc(s1)[*:1]
CN(C(=O)c1cc[n+]([O-])cc1)[C@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)c1cc[n+]([O-])cc1)[C@H](c1ccccc1)[*:1]
CN(C(=O)c1cc[n+]([O-])cc1)[C@H](c1ccccc1)c1ccc(F)cc1 [O-][n+]1ccc(cc1)[*:1] CN(C(=O)[*:1])[C@H](c1ccccc1)c1ccc(F)cc1
CN(C(=O)c1cc[n+]([O-])cc1)[C@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CN(C(=O)c1cc[n+]([O-])cc1)[C@H](c1ccc(F)cc1)[*:1]
O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)/N=C1\CCCCCN1)[*:1]
Cc1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(C[C@H]([NH3+])C(=O)[O-])c2)cc1 Cc1ccc(cc1)[*:1] [NH3+][C@@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)[*:1])C(=O)[O-]
Cc1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(C[C@H]([NH3+])C(=O)[O-])c2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(c1ccccc1)(n1cnc(c1)C[C@H]([NH3+])C(=O)[O-])[*:1]
CC(C)N(C)C(=O)[C@@H](C)N1CCc2c(F)ccc(F)c2C1 CC(C)N(C)C(=O)[*:1] C[C@@H](N1CCc2c(F)ccc(F)c2C1)[*:1]
CC(C)N(C)C(=O)[C@@H](C)N1CCc2c(F)ccc(F)c2C1 CC(C)[*:1] C[C@H](C(=O)N(C)[*:1])N1CCc2c(F)ccc(F)c2C1
O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@@H]1C1CCCC1 C1CCC(C1)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@H]1[*:1]
CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccccc1OC COc1ccccc1[*:1] CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@H]1[*:1]
CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccccc1OC CCOC(=O)[*:1] COc1ccccc1[C@H]1C(=C(N)Oc2cc(C)[nH]c(=O)c21)[*:1]
CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccc(Cl)cc2c1=O CC(C)C[*:1] C[C@H](NC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1[*:1])c1ccc(F)cc1
CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccc(Cl)cc2c1=O Fc1ccc(cc1)[*:1] CC(C)Cn1c(nc2ccc(Cl)cc2c1=O)SCC(=O)N[C@@H](C)[*:1]
CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccc(Cl)cc2c1=O CC(C)[*:1] C[C@H](NC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1C[*:1])c1ccc(F)cc1
CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccc(Cl)cc2c1=O C[C@@H](c1ccc(F)cc1)[*:1] CC(C)Cn1c(nc2ccc(Cl)cc2c1=O)SCC(=O)N[*:1]
O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccoc1 c1cc(co1)[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2o1)[*:1]
CC(=O)c1ccccc1C(=O)N1CCc2ccccc2CC1 CC(=O)[*:1] O=C(c1ccccc1[*:1])N1CCc2ccccc2CC1
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2cc(C)ccc2C)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NC[*:1])c1cc(C)ccc1C
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2cc(C)ccc2C)cc1 O=C(NCc1ccccn1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1cc(C)ccc1C
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2cc(C)ccc2C)cc1 c1ccc(C[*:1])nc1 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[*:1])c1cc(C)ccc1C
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2cc(C)ccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N(CC(=O)NCc1ccccn1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2cc(C)ccc2C)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccccn1)[*:1]
CC(C)(C)c1csc(CNc2cc(F)cc(F)c2)n1 CC(C)(C)[*:1] Fc1cc(F)cc(c1)NCc1nc(cs1)[*:1]
C=CCn1c(SCC[NH+]2CCCCC2)nnc1-c1cccc(C)c1 Cc1cccc(c1)[*:1] C=CCn1c(nnc1[*:1])SCC[NH+]1CCCCC1
C=CCn1c(SCC[NH+]2CCCCC2)nnc1-c1cccc(C)c1 C=CC[*:1] Cc1cccc(c1)-c1nnc(SCC[NH+]2CCCCC2)n1[*:1]
CSCCc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 CSC[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc(cc1)N1CCCS1(=O)=O
CSCCc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 CSCC[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)N1CCCS1(=O)=O
CSCCc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 O=S1(=O)CCCN1[*:1] CSCCc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
C[C@@H]1CN(Cc2cccc3cn[nH]c23)C[C@H](c2ccsc2)O1 c1cc(cs1)[*:1] C[C@@H]1CN(Cc2cccc3cn[nH]c23)C[C@H](O1)[*:1]
COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)[C@H](C)O C[C@H](O)[*:1] COC(=O)[C@H](NC(=O)c1cc(ccc1C)S(=O)(=O)N1CCCC1)[*:1]
COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)[C@H](C)O O=S(=O)(N1CCCC1)[*:1] COC(=O)[C@H](NC(=O)c1cc(ccc1C)[*:1])[C@H](C)O
COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)[C@H](C)O COC(=O)[*:1] Cc1ccc(cc1C(=O)N[C@H]([C@H](C)O)[*:1])S(=O)(=O)N1CCCC1
CCc1ccccc1NC(=O)[C@H](C)Nc1ccc([N-]S(C)(=O)=O)cc1 CCc1ccccc1[*:1] C[C@H](Nc1ccc(cc1)[N-]S(C)(=O)=O)C(=O)N[*:1]
C[C@@H]1CCc2nc(CN3CCC(OC[C@@H]4CCCCO4)CC3)sc2C1 C1CC[C@H](OC1)[*:1] C[C@@H]1CCc2nc(CN3CCC(CC3)OC[*:1])sc2C1
C[C@@H]1CCc2nc(CN3CCC(OC[C@@H]4CCCCO4)CC3)sc2C1 C1CC[C@@H](C[*:1])OC1 C[C@@H]1CCc2nc(CN3CCC(CC3)O[*:1])sc2C1
C[C@@H]1CCc2nc(CN3CCC(OC[C@@H]4CCCCO4)CC3)sc2C1 C1CC[C@@H](CO[*:1])OC1 C[C@@H]1CCc2nc(CN3CCC(CC3)[*:1])sc2C1
COc1cc(F)ccc1N[C@@H](C)[C@H](C)O C[C@H](O)[*:1] COc1cc(F)ccc1N[C@@H](C)[*:1]
N#C[C@H]1CCC[C@H]1NC(=O)c1ncn[nH]1 c1n[nH]c(n1)[*:1] N#C[C@H]1CCC[C@H]1NC(=O)[*:1]
CN1CCc2ccc(NC(=O)N3CCC[C@H]3CN3CCOCC3)cc2C1=O C1CN(CCO1)[*:1] CN1CCc2ccc(cc2C1=O)NC(=O)N1CCC[C@H]1C[*:1]
CN1CCc2ccc(NC(=O)N3CCC[C@H]3CN3CCOCC3)cc2C1=O C1CN(CCO1)C[*:1] CN1CCc2ccc(cc2C1=O)NC(=O)N1CCC[C@@H]1[*:1]
CCC[C@H](NC[C@H]1C[NH+]2CCN1CC2)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC[C@H](NC[C@H]1C[NH+]2CCN1CC2)c1cccc(c1)[*:1]
CCC[C@H](NC[C@H]1C[NH+]2CCN1CC2)c1cccc([N+](=O)[O-])c1 CCC[*:1] O=[N+]([O-])c1cccc(c1)[C@@H](NC[C@H]1C[NH+]2CCN1CC2)[*:1]
CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 CCNC(=O)[*:1] C1CC[C@@H]2[NH2+][C@@H](CC[C@@H]2C1)[*:1]
CC(C)c1nnc(NC(=O)CSc2nnnn2-c2ccccc2)o1 c1ccc(cc1)[*:1] CC(C)c1nnc(NC(=O)CSc2nnnn2[*:1])o1
CC(C)c1nnc(NC(=O)CSc2nnnn2-c2ccccc2)o1 CC(C)[*:1] O=C(CSc1nnnn1-c1ccccc1)Nc1nnc(o1)[*:1]
CC(C)c1nnc(NC(=O)CSc2nnnn2-c2ccccc2)o1 CC(C)c1nnc(o1)[*:1] O=C(CSc1nnnn1-c1ccccc1)N[*:1]
CC(C)c1cc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)on1 c1cc(ccn1)[*:1] CC(C)c1cc(on1)C(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)c1cc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)on1 CC(C)c1cc(on1)[*:1] O=C(c1ccncc1)N1CCN(CC1)C(=O)[*:1]
CC(C)c1cc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)on1 CC(C)[*:1] O=C(c1ccncc1)N1CCN(CC1)C(=O)c1cc(no1)[*:1]
O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)n1ncnc1N2 Brc1cccc(c1)[*:1] O=C1CCCC2Nc3ncnn3[C@H](C=21)[*:1]
C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCOCC1)C2=O C1CN(CCO1)[*:1] C[C@@H]1CCCC[C@@]12NC(=O)N(C[*:1])C2=O
Cn1cc(CCNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cn1 Cn1cc(cn1)CC[*:1] O=C(N[*:1])c1ccc(cc1)N1CCc2ccccc2C1
Cn1cc(CCNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cn1 Cn1cc(cn1)C[*:1] O=C(NC[*:1])c1ccc(cc1)N1CCc2ccccc2C1
Cn1cc(CCNC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cn1 Cn1cc(cn1)[*:1] O=C(NCC[*:1])c1ccc(cc1)N1CCc2ccccc2C1
O=C(NC[C@@H](c1cccc2ccccc12)[NH+]1CCCC1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccc2ccccc12)[NH+]1CCCC1)C(=O)N[*:1]
Cc1cc(NC(=O)N[C@H]2C[C@H]3CCCc4cccc2c43)c[nH]c1=O Cc1cc(c[nH]c1=O)[*:1] O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)N[*:1]
C#CCN(CC(=O)[O-])C(=O)NCCc1ccco1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)NCCc1ccco1
C#CCN(CC(=O)[O-])C(=O)NCCc1ccco1 c1coc(c1)C[*:1] C#CCN(CC(=O)[O-])C(=O)NC[*:1]
C#CCN(CC(=O)[O-])C(=O)NCCc1ccco1 O=C([O-])C[*:1] C#CCN(C(=O)NCCc1ccco1)[*:1]
C#CCN(CC(=O)[O-])C(=O)NCCc1ccco1 C#CC[*:1] O=C([O-])CN(C(=O)NCCc1ccco1)[*:1]
C#CCN(CC(=O)[O-])C(=O)NCCc1ccco1 c1coc(c1)[*:1] C#CCN(CC(=O)[O-])C(=O)NCC[*:1]
COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCc3ccccc3C2)cc1 COc1ccc(cc1)[*:1] Cc1nc2sc(c(O)n2n1)[C@H](N1CCc2ccccc2C1)[*:1]
C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)OCc2nncn2C2CC2)o1 C1CC1[*:1] C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)OCc2nncn2[*:1])o1
Cc1nc(CS[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)no1 Cc1nc(no1)[*:1] Cc1cc(F)ccc1N1CCC[C@@H](SC[*:1])C1=O
Cc1nc(CS[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)no1 Cc1nc(C[*:1])no1 Cc1cc(F)ccc1N1CCC[C@@H](S[*:1])C1=O
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc2ccccc12 c1ccc(cc1)O[*:1] CCOC(=O)c1c(NC(=O)[C@H](C)[*:1])sc2ccccc12
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc2ccccc12 c1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)[C@H](C)O[*:1])sc2ccccc12
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc2ccccc12 CCOC(=O)[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1sc2ccccc2c1[*:1]
CN(c1ccc(/C(N)=N/O)cc1)[C@@H]1CCSC1 N/C(=N\O)[*:1] CN(c1ccc(cc1)[*:1])[C@@H]1CCSC1
COc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)N1CCC(CC1)c1nc(no1)[*:1]
C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)Oc1ccccc1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2cccs2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)O[*:1])N1CCN(CC1)C(=O)c1cccs1
C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2cccs2)CC1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])N1CCN(CC1)C(=O)c1cccs1
Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)o1 Cc1occc1[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)[C@H](C)Sc1nnc(o1)[*:1]
Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)o1 CC(C)C(=O)N[*:1] Cc1occc1-c1nnc(o1)S[C@@H](C)C(=O)c1ccc(cc1)[*:1]
Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)o1 CC(C)[*:1] Cc1occc1-c1nnc(o1)S[C@@H](C)C(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(CSc1n[nH]c(N/N=C/c2cccnc2)n1)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1cccnc1)N[*:1]
O=C(CSc1n[nH]c(N/N=C/c2cccnc2)n1)Nc1ccc(F)c(F)c1 c1cncc(c1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])Nc1ccc(F)c(F)c1
O=C(CSc1n[nH]c(N/N=C/c2cccnc2)n1)Nc1ccc(F)c(F)c1 C(=N/N[*:1])\c1cccnc1 O=C(CSc1n[nH]c(n1)[*:1])Nc1ccc(F)c(F)c1
Cc1ccccc1CN1CCN(C(=O)NCC2(c3ccccc3)CC2)CC1 Cc1ccccc1C[*:1] O=C(NCC1(CC1)c1ccccc1)N1CCN(CC1)[*:1]
Cc1ccccc1CN1CCN(C(=O)NCC2(c3ccccc3)CC2)CC1 Cc1ccccc1[*:1] O=C(NCC1(CC1)c1ccccc1)N1CCN(CC1)C[*:1]
Cc1ccccc1CN1CCN(C(=O)NCC2(c3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1CN1CCN(CC1)C(=O)NCC1(CC1)[*:1]
Cc1ccccc1CN1CCN(C(=O)NCC2(c3ccccc3)CC2)CC1 c1ccc(cc1)C1(CC1)[*:1] Cc1ccccc1CN1CCN(CC1)C(=O)NC[*:1]
CCCN/C([O-])=C(\C#N)C(=O)c1cccc(NC(=O)c2cccs2)c1 CCCN[*:1] N#C/C(C(=O)c1cccc(c1)NC(=O)c1cccs1)=C(/[O-])[*:1]
CCCN/C([O-])=C(\C#N)C(=O)c1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] CCCN/C([O-])=C(\C#N)C(=O)c1cccc(c1)NC(=O)[*:1]
CCCN/C([O-])=C(\C#N)C(=O)c1cccc(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 CCCN/C([O-])=C(\C#N)C(=O)c1cccc(c1)[*:1]
CCCN/C([O-])=C(\C#N)C(=O)c1cccc(NC(=O)c2cccs2)c1 CCC[*:1] N#C/C(C(=O)c1cccc(c1)NC(=O)c1cccs1)=C(/[O-])N[*:1]
Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Oc5ccccc5)cc4)C3)nn2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC[C@H](C1)C(=O)Nc1ccc(cc1)O[*:1]
Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Oc5ccccc5)cc4)C3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1ccc(cc1)Oc1ccccc1)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Oc5ccccc5)cc4)C3)nn2)n1 c1ccc(cc1)O[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC[C@H](C1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc2c(c1)CC/C(=C\[C@H]1C=NN=C1c1ccc(Br)cc1)C2=O Brc1ccc(cc1)[*:1] COc1ccc2C(=O)/C(=C/[C@H]3C=NN=C3[*:1])CCc2c1
O=C(NCCc1noc([C@H]2CCCO2)n1)Nc1ccnn1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1noc(n1)[C@H]1CCCO1)Nc1ccnn1C[*:1]
O=C(NCCc1noc([C@H]2CCCO2)n1)Nc1ccnn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCCc1noc(n1)[C@H]1CCCO1)Nc1ccnn1[*:1]
COC(=O)[C@H](NS(=O)(=O)c1cccc(F)c1)C(C)(C)C COC(=O)[*:1] CC(C)(C)[C@@H](NS(=O)(=O)c1cccc(F)c1)[*:1]
COC(=O)[C@H](NS(=O)(=O)c1cccc(F)c1)C(C)(C)C CC(C)(C)[*:1] COC(=O)[C@H](NS(=O)(=O)c1cccc(F)c1)[*:1]
C[C@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)C[C@@H]1C NS(=O)(=O)[*:1] C[C@H]1CN(C[C@@H]1C)C(=O)c1csc(c1)[*:1]
[NH3+]CC1CCC(C(=O)NCCCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] [NH3+]CC1CCC(CC1)C(=O)NCCC[*:1]
[NH3+]CC1CCC(C(=O)NCCCOc2ccccc2)CC1 c1ccc(cc1)[*:1] [NH3+]CC1CCC(CC1)C(=O)NCCCO[*:1]
O=C(NCC1(O)CCCCCC1)[C@@H]1CCCN1C(=O)c1ccccn1 OC1(CCCCCC1)[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
O=C(NCC1(O)CCCCCC1)[C@@H]1CCCN1C(=O)c1ccccn1 c1ccc(nc1)[*:1] O=C(NCC1(O)CCCCCC1)[C@@H]1CCCN1C(=O)[*:1]
COCC[NH2+][C@@H](C)[C@@H](C)Cc1ccc(F)c(Br)c1 COC[*:1] C[C@@H](Cc1ccc(F)c(Br)c1)[C@H](C)[NH2+]C[*:1]
COCC[NH2+][C@@H](C)[C@@H](C)Cc1ccc(F)c(Br)c1 COCC[*:1] C[C@@H](Cc1ccc(F)c(Br)c1)[C@H](C)[NH2+][*:1]
CCCCCCc1c(C)nc(N)nc1Cl CCC[*:1] Cc1nc(N)nc(Cl)c1CCC[*:1]
CCCCCCc1c(C)nc(N)nc1Cl CCCC[*:1] Cc1nc(N)nc(Cl)c1CC[*:1]
CCCCCCc1c(C)nc(N)nc1Cl CCCCC[*:1] Cc1nc(N)nc(Cl)c1C[*:1]
CC(C)(C)Oc1cc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)ccn1 Clc1ccccc1[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N1CCO[C@@H](C1)[*:1]
CC(C)(C)Oc1cc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)ccn1 CC(C)(C)[*:1] O=C(c1ccnc(c1)O[*:1])N1CCO[C@H](C1)c1ccccc1Cl
CC(C)(C)Oc1cc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)ccn1 CC(C)(C)O[*:1] O=C(c1ccnc(c1)[*:1])N1CCO[C@H](C1)c1ccccc1Cl
Cc1ccccc1NC(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)N(C)[*:1]
COc1ccc2oc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)c2c1 CC(C)(C)[*:1] COc1ccc2oc(C(=O)OCC(=O)NC(=O)N[*:1])c(C)c2c1
COC(=O)[C@@H](C)OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O COC(=O)[C@@H](C)[*:1] C[C@@H](C(=O)O[*:1])N1C(=O)c2ccccc2C1=O
COC(=O)[C@@H](C)OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O COC(=O)[*:1] C[C@@H](C(=O)O[C@H](C)[*:1])N1C(=O)c2ccccc2C1=O
Cc1cccc(OCCNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1 Cc1cccc(c1)[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)NCCO[*:1]
Cc1cccc(OCCNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1 Cc1cccc(c1)O[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)NCC[*:1]
Cc1cccc(OCCNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1 Cc1cccc(c1)OC[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)NC[*:1]
Cc1ccc(-n2cnnc2S(=O)(=O)CCS(C)(=O)=O)c(C)c1 CS(=O)(=O)C[*:1] Cc1ccc(c(C)c1)-n1cnnc1S(=O)(=O)C[*:1]
Cc1ccc(-n2cnnc2S(=O)(=O)CCS(C)(=O)=O)c(C)c1 CS(=O)(=O)CC[*:1] Cc1ccc(c(C)c1)-n1cnnc1S(=O)(=O)[*:1]
Cc1ccc(-n2cnnc2S(=O)(=O)CCS(C)(=O)=O)c(C)c1 CS(=O)(=O)[*:1] Cc1ccc(c(C)c1)-n1cnnc1S(=O)(=O)CC[*:1]
Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cc(C#N)cs1 N#Cc1csc(c1)[*:1] Cc1ccc2c(c1)O[C@H](C)CN2C(=O)[*:1]
CCc1ccc(CNC(=O)NCc2cc(=O)[nH]c3ccccc23)s1 CCc1ccc(s1)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)NC[*:1]
CCc1ccc(CNC(=O)NCc2cc(=O)[nH]c3ccccc23)s1 CCc1ccc(C[*:1])s1 O=C(NCc1cc(=O)[nH]c2ccccc12)N[*:1]
COc1ccc(C(O)=C2C(=O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)c(C)c1 c1csc(c1)[*:1] COc1ccc(C(O)=C2C(=O)C(=O)N(CCC[NH+](C)C)[C@H]2[*:1])c(C)c1
COc1ccc(C(O)=C2C(=O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)c(C)c1 COc1ccc(c(C)c1)[*:1] C[NH+](C)CCCN1C(=O)C(=O)C(=C(O)[*:1])[C@H]1c1cccs1
CC1(C)Cc2cccc(OCC(=O)NCCc3c[nH]c4ccccc34)c2O1 c1ccc2c(c[nH]c2c1)[*:1] CC1(C)Cc2cccc(OCC(=O)NCC[*:1])c2O1
O=C(NCc1cccs1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 c1csc(c1)C[*:1] O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N[*:1]
O=C(NCc1cccs1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 c1csc(c1)[*:1] O=C(NC[*:1])N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1
O=C(NCc1cccs1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(NCc1cccs1)N[C@@H]([C@@H]1CCCO1)[*:1]
O=C(NCc1cccs1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(NCc1cccs1)N[C@@H](c1ccc(F)cc1)[*:1]
O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C(Cn1cc(cn1)[*:1])NCc1ccc(Cl)cc1
O=[N+]([O-])c1cc([C@@H](O)c2ccccc2)ccc1Cl c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1Cl)[C@@H](O)[*:1]
O=[N+]([O-])c1cc([C@@H](O)c2ccccc2)ccc1Cl O=[N+]([O-])[*:1] O[C@@H](c1ccccc1)c1ccc(Cl)c(c1)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)C[NH2+]CCn2cccn2)C1 c1cnn(c1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)C[NH2+]CC[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)C[NH2+]CCn2cccn2)C1 c1cnn(c1)C[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)C[NH2+]C[*:1]
Cc1nn([C@H]2CCCCC[C@@H]2O)c(N)c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(N)c1[*:1])[C@H]1CCCCC[C@@H]1O
CCC(=O)NCc1ccc(C(C)(C)C)cc1 CCC(=O)N[*:1] CC(C)(C)c1ccc(cc1)C[*:1]
CCC(=O)NCc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCC(=O)NCc1ccc(cc1)[*:1]
CNc1nc(C)c(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)s1 Clc1ccc(cc1)[*:1] CNc1nc(C)c(s1)C(=O)N1CCO[C@@H](C1)[*:1]
CC1CCC(NC(=O)NCC(=O)N(C)CC(F)(F)F)CC1 FC(F)(F)[*:1] CC1CCC(CC1)NC(=O)NCC(=O)N(C)C[*:1]
CC1CCC(NC(=O)NCC(=O)N(C)CC(F)(F)F)CC1 CC1CCC(CC1)[*:1] CN(CC(F)(F)F)C(=O)CNC(=O)N[*:1]
CC1CCC(NC(=O)NCC(=O)N(C)CC(F)(F)F)CC1 FC(F)(F)C[*:1] CC1CCC(CC1)NC(=O)NCC(=O)N(C)[*:1]
O=C([O-])c1cn(C2CN(C(=O)[C@@H]3CC=CCC3)C2)nn1 O=C([O-])[*:1] O=C([C@@H]1CC=CCC1)N1CC(C1)n1cc(nn1)[*:1]
COc1cc2c(cc1OC)CN(C(=O)CSc1ncccn1)CC2 c1cnc(nc1)S[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)C[*:1]
COc1cc2c(cc1OC)CN(C(=O)CSc1ncccn1)CC2 c1cnc(nc1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CS[*:1]
COc1cc2c(cc1OC)CN(C(=O)CSc1ncccn1)CC2 c1cnc(nc1)SC[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)[*:1]
CC(C)Cc1ncc(CN2CCO[C@@H](C)[C@@H]2C)s1 CC(C)C[*:1] C[C@@H]1OCCN(Cc2cnc(s2)[*:1])[C@H]1C
CC(C)Cc1ncc(CN2CCO[C@@H](C)[C@@H]2C)s1 CC(C)[*:1] C[C@@H]1OCCN(Cc2cnc(C[*:1])s2)[C@H]1C
COc1ccccc1C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 C1CCC(C1)[*:1] COc1ccccc1C(=O)NCc1nn(c(=O)c2ccccc12)[*:1]
COc1ccccc1C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 COc1ccccc1[*:1] O=C(NCc1nn(c(=O)c2ccccc12)C1CCCC1)[*:1]
CC[C@H](C[C@@H]1CCCCO1)C(C)=O CC(=O)[*:1] CC[C@H](C[C@@H]1CCCCO1)[*:1]
COc1ccc2c(c1)CN(Cc1cn(C)nc1C(C)C)CC2 CC(C)[*:1] COc1ccc2CCN(Cc2c1)Cc1cn(C)nc1[*:1]
FC(F)c1cccnc1Br FC(F)[*:1] Brc1ncccc1[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)N(CCC(F)(F)F)CC1CC1 C1CC1C[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N(CCC(F)(F)F)[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)C[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N(CC1CC1)C[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)CC[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N(CC1CC1)[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)N(CCC(F)(F)F)CC1CC1 C1CC1[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N(CCC(F)(F)F)C[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N(CC[*:1])CC1CC1
COC(=O)c1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ccc1OC COC(=O)[*:1] COc1ccc(cc1[*:1])CNC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
COC(=O)c1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)ccc1OC Clc1ccc(s1)[*:1] COC(=O)c1cc(ccc1OC)CNC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)C[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)[C@H](C)NC(=O)c1cccc(c1)[*:1]
CC(C)C[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 CC(C)[*:1] C[C@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 CC(C)C[*:1] C[C@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N1CC[NH+](CC1)[*:1]
CNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(C)=O)c2)C1 CC(=O)N[*:1] CNC(=O)[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(C)=O)c2)C1 CNC(=O)[*:1] CC(=O)Nc1cccc(c1)C(=O)N1CCC[C@@H](C1)[*:1]
C[C@@H]1CCC[C@H](CNc2cnn(CC(F)F)c2)C1 FC(F)[*:1] C[C@@H]1CCC[C@H](CNc2cnn(c2)C[*:1])C1
C[C@@H]1CCC[C@H](CNc2cnn(CC(F)F)c2)C1 FC(F)C[*:1] C[C@@H]1CCC[C@H](CNc2cnn(c2)[*:1])C1
Cn1c(N/N=C/c2ccccc2OC(F)F)nc2ccccc21 FC(F)O[*:1] Cn1c(nc2ccccc21)N/N=C/c1ccccc1[*:1]
Cn1c(N/N=C/c2ccccc2OC(F)F)nc2ccccc21 FC(F)[*:1] Cn1c(nc2ccccc21)N/N=C/c1ccccc1O[*:1]
CCC(F)(F)C(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC(F)(F)C(=O)N1CCC(CC1)c1n[nH]c(=O)n1[*:1]
CCC(F)(F)C(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 CCC(F)(F)[*:1] O=C(N1CCC(CC1)c1n[nH]c(=O)n1-c1ccccc1)[*:1]
C[C@@H](NCc1c[nH+]cn1C1CC1)c1cccnc1 C1CC1[*:1] C[C@@H](NCc1c[nH+]cn1[*:1])c1cccnc1
C[C@@H](NCc1c[nH+]cn1C1CC1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](NCc1c[nH+]cn1C1CC1)[*:1]
COc1cc(/C=C(\C#N)[C@H]2N=C(CS[C@@H]3[NH+]=c4ccc([N+](=O)[O-])cc4=[NH+]3)CS2)ccc1O COc1cc(ccc1O)[*:1] N#CC(=C[*:1])[C@H]1N=C(CS1)CS[C@@H]1[NH+]=c2ccc(cc2=[NH+]1)[N+](=O)[O-]
COc1cc(/C=C(\C#N)[C@H]2N=C(CS[C@@H]3[NH+]=c4ccc([N+](=O)[O-])cc4=[NH+]3)CS2)ccc1O O=[N+]([O-])[*:1] COc1cc(/C=C(\C#N)[C@H]2N=C(CS2)CS[C@@H]2[NH+]=c3ccc(cc3=[NH+]2)[*:1])ccc1O
CCOC(=O)C(C)(C)N(C)C(=O)c1ccc2ccccc2n1 CCOC(=O)[*:1] CN(C(=O)c1ccc2ccccc2n1)C(C)(C)[*:1]
Cn1nccc1C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 Cn1nccc1[*:1] O=C(N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
Cn1nccc1C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] Cn1nccc1C(=O)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
CCO[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1 FC(F)(F)[*:1] CCO[C@@H]1CCCN(C1)C(=O)Nc1ccccc1S[C@@H](Cl)[*:1]
CCO[C@@H]1CCCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1 CCO[*:1] O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)N1CCC[C@H](C1)[*:1]
CCN(C[C@@H](C)C#N)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 CC(C)c1nccn1[*:1] CCN(C[C@@H](C)C#N)C(=O)Nc1cccc(c1)C[*:1]
CCN(C[C@@H](C)C#N)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 CC(C)[*:1] CCN(C[C@@H](C)C#N)C(=O)Nc1cccc(c1)Cn1ccnc1[*:1]
CCNC(=O)c1ccccc1NC(=O)Cc1ccc(OC)cc1 CCNC(=O)[*:1] COc1ccc(cc1)CC(=O)Nc1ccccc1[*:1]
CC(C)c1ccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1 CC(C)[*:1] C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCCC(=O)N[C@@H]1CCCN(c2cc(C#N)c3cc(Cl)ccc3n2)C1 CCCC(=O)N[*:1] N#Cc1cc(nc2ccc(Cl)cc12)N1CCC[C@H](C1)[*:1]
CCCC(=O)N[C@@H]1CCCN(c2cc(C#N)c3cc(Cl)ccc3n2)C1 CCC[*:1] N#Cc1cc(nc2ccc(Cl)cc12)N1CCC[C@H](C1)NC(=O)[*:1]
NNc1cccc(COc2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] NNc1cccc(COc2cccc(c2)[*:1])n1
Cc1nc2ncnn2c(NCC(C)C)c1C CC(C)CN[*:1] Cc1nc2ncnn2c(c1C)[*:1]
Cc1nc2ncnn2c(NCC(C)C)c1C CC(C)C[*:1] Cc1nc2ncnn2c(N[*:1])c1C
Cc1nc2ncnn2c(NCC(C)C)c1C CC(C)[*:1] Cc1nc2ncnn2c(NC[*:1])c1C
CCN(CC)c1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 CCN(CC)[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)c1ccc(cc1)[*:1]
CCN(CC)c1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1 CN(C)[*:1] CCN(CC)c1ccc(cc1)C(=O)NNC(=O)c1cccc(c1)[*:1]
COC(=O)[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 COC(=O)[C@@H](C)[*:1] CN(Cc1ccc(c(F)c1)[N+](=O)[O-])C[*:1]
COC(=O)[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 COC(=O)[*:1] C[C@@H](CN(C)Cc1ccc(c(F)c1)[N+](=O)[O-])[*:1]
COC(=O)[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] COC(=O)[C@@H](C)CN(C)Cc1ccc(c(F)c1)[*:1]
CN(CC(C)(C)O)C(=O)[C@H]([NH3+])CCS(C)(=O)=O CC(C)(O)[*:1] CN(C[*:1])C(=O)[C@H]([NH3+])CCS(C)(=O)=O
CN(CC(C)(C)O)C(=O)[C@H]([NH3+])CCS(C)(=O)=O CS(=O)(=O)[*:1] CN(CC(C)(C)O)C(=O)[C@H]([NH3+])CC[*:1]
CN(CC(C)(C)O)C(=O)[C@H]([NH3+])CCS(C)(=O)=O CC(C)(O)C[*:1] CN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)[*:1]
CN(CC(C)(C)O)C(=O)[C@H]([NH3+])CCS(C)(=O)=O CS(=O)(=O)C[*:1] CN(CC(C)(C)O)C(=O)[C@H]([NH3+])C[*:1]
O=C(CCc1ccncc1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 c1cc(ccn1)[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1ccc(s1)-c1ccccc1F
O=C(CCc1ccncc1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 c1cc(ccn1)C[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccc(s1)-c1ccccc1F
O=C(CCc1ccncc1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 c1cc(ccn1)CC[*:1] O=C(N1CCN(CC1)Cc1ccc(s1)-c1ccccc1F)[*:1]
O=C(CCc1ccncc1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 Fc1ccccc1[*:1] O=C(CCc1ccncc1)N1CCN(CC1)Cc1ccc(s1)[*:1]
NC(=O)[C@@H]1CCN(C(=O)c2c(F)cccc2Cl)c2ccccc21 NC(=O)[*:1] O=C(c1c(F)cccc1Cl)N1CC[C@H](c2ccccc21)[*:1]
O=C(c1coc(-c2ccccc2)n1)N1CCCCc2ccccc21 c1ccc(cc1)[*:1] O=C(c1coc(n1)[*:1])N1CCCCc2ccccc21
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1nc2ccccc2s1 CC[C@@H](C)[*:1] O=C(N[C@@H](C(=O)NCc1nc2ccccc2s1)[*:1])c1ccccc1
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1nc2ccccc2s1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](NC(=O)[*:1])C(=O)NCc1nc2ccccc2s1
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1nc2ccccc2s1 O=C(N[*:1])c1ccccc1 CC[C@@H](C)[C@@H](C(=O)NCc1nc2ccccc2s1)[*:1]
COc1cc(/C([O-])=N/S(=O)(=O)N(C)Cc2ccccc2)ccc1C c1ccc(cc1)C[*:1] COc1cc(ccc1C)/C([O-])=N/S(=O)(=O)N(C)[*:1]
COc1cc(/C([O-])=N/S(=O)(=O)N(C)Cc2ccccc2)ccc1C c1ccc(cc1)[*:1] COc1cc(ccc1C)/C([O-])=N/S(=O)(=O)N(C)C[*:1]
Cc1ccnc(NCCC[NH+](C(C)C)C(C)C)n1 CC(C)[*:1] Cc1ccnc(n1)NCCC[NH+](C(C)C)[*:1]
O=C(c1cc2ccccc2[nH]1)N1CCCC[C@@H]1CCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(c1cc2ccccc2[nH]1)N1CCCC[C@@H]1CC[*:1]
O=C(c1cc2ccccc2[nH]1)N1CCCC[C@@H]1CCc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] O=C(c1cc2ccccc2[nH]1)N1CCCC[C@@H]1C[*:1]
O=C(CC[C@@H]1CCCO1)Nc1nnc(C2CCCCC2)s1 C1CCC(CC1)[*:1] O=C(CC[C@@H]1CCCO1)Nc1nnc(s1)[*:1]
O=C(CC[C@@H]1CCCO1)Nc1nnc(C2CCCCC2)s1 C1CO[C@@H](C1)C[*:1] O=C(C[*:1])Nc1nnc(s1)C1CCCCC1
O=C(CC[C@@H]1CCCO1)Nc1nnc(C2CCCCC2)s1 C1CO[C@@H](C1)CC[*:1] O=C(Nc1nnc(s1)C1CCCCC1)[*:1]
O=C(CC[C@@H]1CCCO1)Nc1nnc(C2CCCCC2)s1 C1CO[C@@H](C1)[*:1] O=C(CC[*:1])Nc1nnc(s1)C1CCCCC1
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(Br)cc1 COC(=O)[*:1] COc1cc(NS(=O)(=O)c2ccc(Br)cc2)c(cc1OC)[*:1]
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COC(=O)c1cc(OC)c(cc1NS(=O)(=O)[*:1])OC
CC[C@H](C)CNC(=O)c1cccc(C(F)(F)F)c1NC CC[C@H](C)C[*:1] CNc1c(cccc1C(F)(F)F)C(=O)N[*:1]
CC[C@H](C)CNC(=O)c1cccc(C(F)(F)F)c1NC FC(F)(F)[*:1] CC[C@H](C)CNC(=O)c1cccc(c1NC)[*:1]
CC[C@H](C)CNC(=O)c1cccc(C(F)(F)F)c1NC CC[C@H](C)[*:1] CNc1c(cccc1C(F)(F)F)C(=O)NC[*:1]
CN(Cc1cc(Br)cs1)C(=O)CN1CCO[C@@H](C(N)=O)C1 NC(=O)[*:1] CN(Cc1cc(Br)cs1)C(=O)CN1CCO[C@@H](C1)[*:1]
CN(Cc1cc(Br)cs1)C(=O)CN1CCO[C@@H](C(N)=O)C1 Brc1csc(c1)[*:1] CN(C[*:1])C(=O)CN1CCO[C@H](C1)C(N)=O
CN(Cc1cc(Br)cs1)C(=O)CN1CCO[C@@H](C(N)=O)C1 Brc1csc(c1)C[*:1] CN(C(=O)CN1CCO[C@H](C1)C(N)=O)[*:1]
CC(C)COC[C@H](NC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1)c1ccco1 CC(C)CO[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[C@@H](C[*:1])c1ccco1
CC(C)COC[C@H](NC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1)c1ccco1 CC(C)COC[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[C@H](c1ccco1)[*:1]
CC(C)COC[C@H](NC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1)c1ccco1 c1coc(c1)[*:1] CC(C)COC[C@H](NC(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1C)[*:1]
CC(C)COC[C@H](NC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1)c1ccco1 CC(C)C[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[C@@H](CO[*:1])c1ccco1
CC(C)COC[C@H](NC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1)c1ccco1 CC(C)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[C@@H](COC[*:1])c1ccco1
CCc1nncn1CC[NH2+]Cc1ncc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CCc1nncn1CC[NH2+]Cc1ncc(s1)[*:1]
CCc1nncn1CC[NH2+]Cc1ncc(-c2ccccc2)s1 CCc1nncn1[*:1] c1ccc(cc1)-c1cnc(C[NH2+]CC[*:1])s1
O=C(CCc1ccccc1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCc1ccccc1)N1CCN(CC1)[*:1]
O=C(CCc1ccccc1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(C[*:1])N1CCN(CC1)c1ccccc1
O=C(CCc1ccccc1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccccc1
C[NH+]1CCC(NC(=O)c2ccccc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)NC(=O)c1ccccc1[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C)c(NC(C)=O)c(C)c2)cc1 CC(=O)N[*:1] CC[C@H](C)c1ccc(cc1)S(=O)(=O)Nc1cc(C)c(c(C)c1)[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C)c(NC(C)=O)c(C)c2)cc1 CC[C@H](C)[*:1] CC(=O)Nc1c(C)cc(cc1C)NS(=O)(=O)c1ccc(cc1)[*:1]
C[C@H](CNC(=O)NCC1(O)CCOCC1)c1ccc(F)cc1F OC1(CCOCC1)[*:1] C[C@H](CNC(=O)NC[*:1])c1ccc(F)cc1F
O=C(Cn1cnc2ccccc2c1=O)Nc1cccc[n+]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1cccc[n+]1C[*:1]
O=C(Cn1cnc2ccccc2c1=O)Nc1cccc[n+]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1cccc[n+]1[*:1]
COC(=O)CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 COC(=O)C[*:1] FC(F)(F)c1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
COC(=O)CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 COC(=O)[*:1] FC(F)(F)c1ccc(cc1)C[NH+]1CCC(CC1)C[*:1]
COC(=O)CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] COC(=O)CC1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(C)NC(=O)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C CC(C)NC(=O)[*:1] CC(C)[C@H](NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
CC(C)NC(=O)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C CC(C)[*:1] CC(C)[C@H](NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])C(=O)N[*:1]
CC(C)NC(=O)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C CC(C)[*:1] CC(C)NC(=O)[C@@H](NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
CC(C)NC(=O)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C O=[N+]([O-])[*:1] CC(C)NC(=O)[C@@H](NC(=O)c1ccc(Cl)c(c1)[*:1])C(C)C
CC1=N[C@@H](C(=O)N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)C(C)=C1C C1CN(CCO1)C[*:1] CC1=N[C@@H](C(=O)N2CCC[C@@H](C2)C(=O)NCC[*:1])C(C)=C1C
CC1=N[C@@H](C(=O)N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)C(C)=C1C C1CN(CCO1)[*:1] CC1=N[C@@H](C(=O)N2CCC[C@@H](C2)C(=O)NCCC[*:1])C(C)=C1C
CC1=N[C@@H](C(=O)N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)C(C)=C1C C(CN1CCOCC1)C[*:1] CC1=N[C@@H](C(=O)N2CCC[C@@H](C2)C(=O)N[*:1])C(C)=C1C
CC1=N[C@@H](C(=O)N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)C(C)=C1C C1CN(CCO1)CC[*:1] CC1=N[C@@H](C(=O)N2CCC[C@@H](C2)C(=O)NC[*:1])C(C)=C1C
CNc1[nH+]n(CC(=O)Nc2c(C)cc(C)cc2C)c(N)c1-c1nc(-c2ccccc2)no1 Cc1cc(C)c(c(C)c1)[*:1] CNc1[nH+]n(CC(=O)N[*:1])c(N)c1-c1nc(no1)-c1ccccc1
CNc1[nH+]n(CC(=O)Nc2c(C)cc(C)cc2C)c(N)c1-c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CNc1[nH+]n(CC(=O)Nc2c(C)cc(C)cc2C)c(N)c1-c1nc(no1)[*:1]
O=C(NCc1csc(Br)c1)NCc1ccco1 c1coc(c1)[*:1] O=C(NCc1csc(Br)c1)NC[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N[C@@H](CO)[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N[C@@H](CO)C[*:1]
CCCn1c(C)nnc1CS(=O)(=O)[C@@H](C)C(=O)NC1CCCCC1 CCC[*:1] Cc1nnc(CS(=O)(=O)[C@@H](C)C(=O)NC2CCCCC2)n1[*:1]
CCCn1c(C)nnc1CS(=O)(=O)[C@@H](C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CCCn1c(C)nnc1CS(=O)(=O)[C@@H](C)C(=O)N[*:1]
CC(=O)N(C(C)=O)c1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N(C(C)=O)c1ccccc1[*:1]
CNC(=O)c1ccc(NC(=O)NCc2ccccc2CO)cc1Cl CNC(=O)[*:1] O=C(NCc1ccccc1CO)Nc1ccc(c(Cl)c1)[*:1]
CNC(=O)c1ccc(NC(=O)NCc2ccccc2CO)cc1Cl OCc1ccccc1[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)NC[*:1]
Cc1nn(C)c(C)c1CCCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 Cc1nn(C)c(C)c1[*:1] O=C(NCCC[*:1])N[C@H]1CCC[C@H](C1)C(F)(F)F
Cc1nn(C)c(C)c1CCCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] Cc1nn(C)c(C)c1CCCNC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3cnn(C)c3)CCC2=O)cc1C C[C@@H](c1cnn(C)c1)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3cnn(C)c3)CCC2=O)cc1C Cn1cc(cn1)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N[C@@H](C)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3cnn(C)c3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] C[C@H](NC(=O)[C@H]1CCC(=O)N(C1)[*:1])c1cnn(C)c1
COc1cccc(C(=O)N2CCN(C(=O)C3C[C@@H](C)O[C@H](C)C3)CC2)c1 COc1cccc(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCN(CC1)C(=O)[*:1]
CCCC(=O)C1=C(Nc2ccccc2C)CC(C)(C)[C@@H](C(=O)OC)C1=O Cc1ccccc1[*:1] CCCC(=O)C1C(=O)[C@H](C(=O)OC)C(C)(C)CC=1N[*:1]
CCCC(=O)C1=C(Nc2ccccc2C)CC(C)(C)[C@@H](C(=O)OC)C1=O CCCC(=O)[*:1] COC(=O)[C@H]1C(=O)C(=C(CC1(C)C)Nc1ccccc1C)[*:1]
CCCC(=O)C1=C(Nc2ccccc2C)CC(C)(C)[C@@H](C(=O)OC)C1=O COC(=O)[*:1] CCCC(=O)C1C(=O)[C@H](C(C)(C)CC=1Nc1ccccc1C)[*:1]
CCCC(=O)C1=C(Nc2ccccc2C)CC(C)(C)[C@@H](C(=O)OC)C1=O Cc1ccccc1N[*:1] CCCC(=O)C1C(=O)[C@H](C(=O)OC)C(C)(C)CC=1[*:1]
CCCC(=O)C1=C(Nc2ccccc2C)CC(C)(C)[C@@H](C(=O)OC)C1=O CCC[*:1] COC(=O)[C@H]1C(=O)C(C(=O)[*:1])=C(CC1(C)C)Nc1ccccc1C
Cn1ncnc1CNC(=O)N1CCC[C@@H]1COc1ccccc1 Cn1ncnc1[*:1] O=C(NC[*:1])N1CCC[C@@H]1COc1ccccc1
Cn1ncnc1CNC(=O)N1CCC[C@@H]1COc1ccccc1 c1ccc(cc1)[*:1] Cn1ncnc1CNC(=O)N1CCC[C@@H]1CO[*:1]
Cn1ncnc1CNC(=O)N1CCC[C@@H]1COc1ccccc1 c1ccc(cc1)O[*:1] Cn1ncnc1CNC(=O)N1CCC[C@@H]1C[*:1]
Cn1ncnc1CNC(=O)N1CCC[C@@H]1COc1ccccc1 Cn1ncnc1C[*:1] O=C(N[*:1])N1CCC[C@@H]1COc1ccccc1
O=S(=O)([N-]c1ccccc1[C@H](O)C(F)(F)F)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=S(=O)([N-]c1ccccc1[C@H](O)C(F)(F)F)[*:1]
O=S(=O)([N-]c1ccccc1[C@H](O)C(F)(F)F)c1cccc(Br)c1 FC(F)(F)[*:1] O=S(=O)([N-]c1ccccc1[C@H](O)[*:1])c1cccc(Br)c1
O=S(=O)([N-]c1ccccc1[C@H](O)C(F)(F)F)c1cccc(Br)c1 O[C@H](C(F)(F)F)[*:1] O=S(=O)([N-]c1ccccc1[*:1])c1cccc(Br)c1
Cc1cc(NC(=O)C(=O)NCc2ccnc(OC(C)(C)C)c2)ccc1F CC(C)(C)[*:1] Cc1cc(ccc1F)NC(=O)C(=O)NCc1ccnc(c1)O[*:1]
Cc1cc(NC(=O)C(=O)NCc2ccnc(OC(C)(C)C)c2)ccc1F CC(C)(C)O[*:1] Cc1cc(ccc1F)NC(=O)C(=O)NCc1ccnc(c1)[*:1]
Cc1cc(NC(=O)C(=O)NCc2ccnc(OC(C)(C)C)c2)ccc1F Cc1cc(ccc1F)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)C(=O)N[*:1]
O=C(Cn1c(=O)cnc2ccccc21)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(C[*:1])s1 O=C(Cn1c(=O)cnc2ccccc21)N1CCN(CC1)[*:1]
O=C(Cn1c(=O)cnc2ccccc21)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] O=C(Cn1c(=O)cnc2ccccc21)N1CCN(CC1)C[*:1]
Cc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)CSCC(=O)NN=C[*:1]
CC(C)c1noc2ncc(C(=O)N3CCc4sccc4[C@H]3c3ccccc3)cc12 c1ccc(cc1)[*:1] CC(C)c1noc2ncc(cc12)C(=O)N1CCc2sccc2[C@@H]1[*:1]
CC(C)c1noc2ncc(C(=O)N3CCc4sccc4[C@H]3c3ccccc3)cc12 CC(C)[*:1] O=C(c1cnc2onc(c2c1)[*:1])N1CCc2sccc2[C@H]1c1ccccc1
O=C(/C=C\c1cccs1)Nc1ccc(-c2cc[nH]n2)cc1 C(=C[*:1])c1cccs1 O=C(Nc1ccc(cc1)-c1cc[nH]n1)[*:1]
O=C(/C=C\c1cccs1)Nc1ccc(-c2cc[nH]n2)cc1 c1csc(c1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)-c1cc[nH]n1
O=C(/C=C\c1cccs1)Nc1ccc(-c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] O=C(/C=C\c1cccs1)Nc1ccc(cc1)[*:1]
O=C(Nc1cnc2ccccn2c1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cnc2ccccn2c1=O)N1CCN(CC1)[*:1]
O=C(CCc1ccccc1)NCc1cc(Cl)c2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(CC[*:1])NCc1cc(Cl)c2OCCOc2c1
O=C(CCc1ccccc1)NCc1cc(Cl)c2c(c1)OCCO2 c1ccc(cc1)C[*:1] O=C(C[*:1])NCc1cc(Cl)c2OCCOc2c1
COc1ccc([C@]2(C)NC(=O)N(Cc3csc(-c4ccccc4)n3)C2=O)cc1OC COc1ccc(cc1OC)[*:1] C[C@@]1(NC(=O)N(Cc2csc(n2)-c2ccccc2)C1=O)[*:1]
COc1ccc([C@]2(C)NC(=O)N(Cc3csc(-c4ccccc4)n3)C2=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@]1(C)NC(=O)N(Cc2csc(n2)[*:1])C1=O
CCc1cc2c(=O)[nH]c(-c3ccncc3)nc2s1 c1cc(ccn1)[*:1] CCc1cc2c(=O)[nH]c(nc2s1)[*:1]
N#C[C@@]1([C@@H](O)C(=O)[O-])CCCc2ccccc21 O=C([O-])[*:1] N#C[C@]1(CCCc2ccccc21)[C@@H](O)[*:1]
COC(=O)[C@H](C)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 COC(=O)[*:1] CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)N[C@@H](C)[*:1]
COC(=O)[C@H](C)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 CC(C)[*:1] COC(=O)[C@H](C)NC(=O)[C@H](C)c1ccc(cc1)C[*:1]
COC(=O)[C@H](C)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 CC(C)C[*:1] COC(=O)[C@H](C)NC(=O)[C@H](C)c1ccc(cc1)[*:1]
COC(=O)[C@H](C)NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 COC(=O)[C@H](C)[*:1] CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)N[*:1]
Cc1cc(N[C@H]2CCCN(S(C)(=O)=O)C2)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(nc(n1)[*:1])N[C@H]1CCCN(C1)S(C)(=O)=O
CCC[NH+](CCO)Cc1ncc(Cl)n1C OCC[*:1] CCC[NH+](Cc1ncc(Cl)n1C)[*:1]
CCC[NH+](CCO)Cc1ncc(Cl)n1C CCC[*:1] Cn1c(Cl)cnc1C[NH+](CCO)[*:1]
CC(C)c1ocnc1CS(=O)(=O)c1ccccc1C#N CC(C)[*:1] N#Cc1ccccc1S(=O)(=O)Cc1ncoc1[*:1]
O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cc(Cl)c2c(c1)OCO2 c1cn(cn1)[*:1] O=C(NCc1ccc(c(F)c1)[*:1])c1cc(Cl)c2OCOc2c1
O=C(C#Cc1ccccc1)NCC[S@@](=O)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(C#Cc1ccccc1)NCC[S@@](=O)[*:1]
O=C(C#Cc1ccccc1)NCC[S@@](=O)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(C#C[*:1])NCC[S@@](=O)Cc1ccccc1
O=C(C#Cc1ccccc1)NCC[S@@](=O)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(C#Cc1ccccc1)NCC[S@@](=O)C[*:1]
Cc1ccc(CS(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)CS(=O)(=O)N(C)C1CCN(CC1)C(=O)O[*:1]
Cc1ccc(CS(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 Cc1ccc(cc1)[*:1] CN(C1CCN(CC1)C(=O)OC(C)(C)C)S(=O)(=O)C[*:1]
Cc1ccc(CS(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 Cc1ccc(cc1)C[*:1] CN(C1CCN(CC1)C(=O)OC(C)(C)C)S(=O)(=O)[*:1]
CCC1(C[NH2+][C@H](C(N)=O)c2ccccc2)CCC1 CCC1(CCC1)[*:1] NC(=O)[C@@H]([NH2+]C[*:1])c1ccccc1
CCC1(C[NH2+][C@H](C(N)=O)c2ccccc2)CCC1 c1ccc(cc1)[*:1] CCC1(CCC1)C[NH2+][C@H](C(N)=O)[*:1]
CCC1(C[NH2+][C@H](C(N)=O)c2ccccc2)CCC1 NC(=O)[*:1] CCC1(CCC1)C[NH2+][C@H](c1ccccc1)[*:1]
CCC(=O)NC(=S)Nc1ccc(C(C)C)cc1 CC(C)[*:1] CCC(=O)NC(=S)Nc1ccc(cc1)[*:1]
CCCC[C@@]1(CC)CC(=O)NC(=O)[C@@H]1CC CCCC[*:1] CC[C@H]1C(=O)NC(=O)C[C@@]1(CC)[*:1]
CCCC[C@@]1(CC)CC(=O)NC(=O)[C@@H]1CC CCC[*:1] CC[C@H]1C(=O)NC(=O)C[C@]1(CC)C[*:1]
Cc1csc([C@@H](NC(=O)NCc2ccc(Cl)cc2)C2CC2)n1 Clc1ccc(cc1)[*:1] Cc1csc(n1)[C@@H](NC(=O)NC[*:1])C1CC1
Cc1csc([C@@H](NC(=O)NCc2ccc(Cl)cc2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)NCc1ccc(Cl)cc1)[*:1]
Cc1csc([C@@H](NC(=O)NCc2ccc(Cl)cc2)C2CC2)n1 Cc1csc(n1)[*:1] O=C(NCc1ccc(Cl)cc1)N[C@@H](C1CC1)[*:1]
CN(Cc1ccc(C(N)=O)cc1)C(=O)CSCc1ccncc1 NC(=O)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)CSCc1ccncc1
CN(Cc1ccc(C(N)=O)cc1)C(=O)CSCc1ccncc1 c1cc(ccn1)C[*:1] CN(Cc1ccc(cc1)C(N)=O)C(=O)CS[*:1]
CN(Cc1ccc(C(N)=O)cc1)C(=O)CSCc1ccncc1 c1cc(ccn1)[*:1] CN(Cc1ccc(cc1)C(N)=O)C(=O)CSC[*:1]
COc1ccc([C@H]2C3=C([O-])CCCC3=NC3=NC(SC(C)C)=NC(=O)[C@H]32)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H]1C2C(CCCC=2[O-])=NC2=NC(=NC(=O)[C@H]21)S[*:1]
COc1ccc([C@H]2C3=C([O-])CCCC3=NC3=NC(SC(C)C)=NC(=O)[C@H]32)cc1 COc1ccc(cc1)[*:1] CC(C)SC1=NC(=O)[C@@H]2C(N=C3CCCC([O-])=C3[C@@H]2[*:1])=N1
CCC[NH2+][C@@H](COC(C)C)c1cc(F)cc(Br)c1 CC(C)O[*:1] CCC[NH2+][C@@H](C[*:1])c1cc(F)cc(Br)c1
CCC[NH2+][C@@H](COC(C)C)c1cc(F)cc(Br)c1 CC(C)[*:1] CCC[NH2+][C@@H](CO[*:1])c1cc(F)cc(Br)c1
CCC[NH2+][C@@H](COC(C)C)c1cc(F)cc(Br)c1 CC(C)OC[*:1] CCC[NH2+][C@@H](c1cc(F)cc(Br)c1)[*:1]
CCC[NH2+][C@@H](COC(C)C)c1cc(F)cc(Br)c1 CCC[*:1] CC(C)OC[C@H]([NH2+][*:1])c1cc(F)cc(Br)c1
CC(C)N1C(=O)C=C(c2ccc(Cl)cc2)Nc2cc([N+](=O)[O-])ccc21 CC(C)[*:1] O=C1C=C(Nc2cc(ccc2N1[*:1])[N+](=O)[O-])c1ccc(Cl)cc1
CC(C)N1C(=O)C=C(c2ccc(Cl)cc2)Nc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CC(C)N1C(=O)C=C(Nc2cc(ccc21)[*:1])c1ccc(Cl)cc1
CC(C)N1C(=O)C=C(c2ccc(Cl)cc2)Nc2cc([N+](=O)[O-])ccc21 Clc1ccc(cc1)[*:1] CC(C)N1C(=O)C=C(Nc2cc(ccc21)[N+](=O)[O-])[*:1]
CC(C)c1cc(C(=O)N/N=C/c2ccco2)[nH]n1 CC(C)[*:1] O=C(N/N=C/c1ccco1)c1cc(n[nH]1)[*:1]
CC(C)c1cc(C(=O)N/N=C/c2ccco2)[nH]n1 c1coc(c1)[*:1] CC(C)c1cc([nH]n1)C(=O)NN=C[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1sc(C)cc1OC(F)F FC(F)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1sc(C)cc1O[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1sc(C)cc1OC(F)F CC[S@](=O)[*:1] Cc1cc(OC(F)F)c(s1)C(=O)N[C@H]1CCCC[C@H]1[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1sc(C)cc1OC(F)F FC(F)O[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1sc(C)cc1[*:1]
C[NH+](C)CC(C)(C)CNc1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] C[NH+](C)CC(C)(C)CNc1cccc(F)c1[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H]1CCO[C@@H]1C c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)[C@@H]1CCO[C@@H]1C)[*:1]
CCC1(CNC(=O)c2cccc(NC(=O)C3CC3)c2)CCC1 C1CC1[*:1] CCC1(CCC1)CNC(=O)c1cccc(c1)NC(=O)[*:1]
CCC1(CNC(=O)c2cccc(NC(=O)C3CC3)c2)CCC1 O=C(N[*:1])C1CC1 CCC1(CCC1)CNC(=O)c1cccc(c1)[*:1]
CCC1(CNC(=O)c2cccc(NC(=O)C3CC3)c2)CCC1 CCC1(CCC1)C[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)C1CC1
CCC1(CNC(=O)c2cccc(NC(=O)C3CC3)c2)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)C1CC1
CSC1(CNC(=O)[C@@H](C)CCc2cccc(F)c2)CCOCC1 Fc1cccc(c1)[*:1] CSC1(CCOCC1)CNC(=O)[C@@H](C)CC[*:1]
CC[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)s1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)s1)[*:1]
CC[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)s1)[C@@H]1CCCO1 Clc1ccc(s1)[*:1] CC[C@H](NC(=O)N[C@@H](C)[*:1])[C@@H]1CCCO1
N#Cc1ccsc1NC(=O)CN1CCc2c(F)ccc(F)c2C1 N#Cc1ccsc1[*:1] O=C(CN1CCc2c(F)ccc(F)c2C1)N[*:1]
CCn1c(=O)n(CC(=O)N(C)Cc2ccc(C)cc2C)c2ccccc21 Cc1ccc(c(C)c1)[*:1] CCn1c(=O)n(CC(=O)N(C)C[*:1])c2ccccc21
CO[C@H](C(=O)Nc1ccc(C(=O)NCC(C)C)cc1)c1ccccc1 CC(C)C[*:1] CO[C@H](C(=O)Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1
CO[C@H](C(=O)Nc1ccc(C(=O)NCC(C)C)cc1)c1ccccc1 CC(C)CNC(=O)[*:1] CO[C@H](C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CO[C@H](C(=O)Nc1ccc(C(=O)NCC(C)C)cc1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)Nc1ccc(cc1)C(=O)NCC(C)C)[*:1]
CO[C@H](C(=O)Nc1ccc(C(=O)NCC(C)C)cc1)c1ccccc1 CC(C)[*:1] CO[C@H](C(=O)Nc1ccc(cc1)C(=O)NC[*:1])c1ccccc1
Cc1c(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2
Cc1ccc(CNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NC[*:1]
C[C@@H](Cn1ccnc1)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 c1cn(cn1)C[*:1] C[C@@H](NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)[*:1]
C[C@@H](Cn1ccnc1)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 c1cn(cn1)[*:1] C[C@@H](C[*:1])NC(=O)/C=C/c1cc(Cl)cc(Cl)c1
CN(C(=O)COc1ccc(C(N)=S)cc1)[C@H]1CCSC1 NC(=S)[*:1] CN(C(=O)COc1ccc(cc1)[*:1])[C@H]1CCSC1
Cc1nc(C)c(C(=O)NC[C@H](C)c2cccs2)s1 c1csc(c1)[*:1] Cc1nc(C)c(s1)C(=O)NC[C@H](C)[*:1]
CC1=N[C@H](C(=O)N2CCC(CC(=O)NCc3ccc(Cl)cc3)CC2)C(C)=C1C Clc1ccc(cc1)C[*:1] CC1=N[C@H](C(=O)N2CCC(CC2)CC(=O)N[*:1])C(C)=C1C
CC1=N[C@H](C(=O)N2CCC(CC(=O)NCc3ccc(Cl)cc3)CC2)C(C)=C1C Clc1ccc(cc1)[*:1] CC1=N[C@H](C(=O)N2CCC(CC2)CC(=O)NC[*:1])C(C)=C1C
CCCn1cc(S(=O)(=O)N2CCO[C@@H](C#N)C2)nc1C CCC[*:1] Cc1nc(cn1[*:1])S(=O)(=O)N1CCO[C@@H](C#N)C1
COc1ccc(C2=NN(CC(=O)N[C@@H](C)c3ccccc3)C(=O)CC2)cc1 C[C@@H](c1ccccc1)[*:1] COc1ccc(cc1)C1CCC(=O)N(CC(=O)N[*:1])N=1
COc1ccc(C2=NN(CC(=O)N[C@@H](C)c3ccccc3)C(=O)CC2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)CN1N=C(CCC1=O)[*:1])c1ccccc1
COc1ccc(C2=NN(CC(=O)N[C@@H](C)c3ccccc3)C(=O)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1CCC(=O)N(CC(=O)N[C@@H](C)[*:1])N=1
CC(=O)c1cccc(NC(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)c1 CC(=O)c1cccc(c1)[*:1] O=C(Cc1cc(on1)-c1ccc2OCOc2c1)N[*:1]
CC(=O)c1cccc(NC(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)c1 c1cc2OCOc2cc1[*:1] CC(=O)c1cccc(c1)NC(=O)Cc1cc(on1)[*:1]
CC(=O)c1cccc(NC(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)c1 CC(=O)[*:1] O=C(Cc1cc(on1)-c1ccc2OCOc2c1)Nc1cccc(c1)[*:1]
CCOc1ccc(-n2nnnc2SCC(=O)c2ccc(C)cc2)cc1 CCO[*:1] Cc1ccc(cc1)C(=O)CSc1nnnn1-c1ccc(cc1)[*:1]
CCOc1ccc(-n2nnnc2SCC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1nnnc1SCC(=O)[*:1]
Cc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 Cc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21
CC(C)c1cccc(N(C)S(=O)(=O)CC2CCC2)c1 C1CC(C1)C[*:1] CC(C)c1cccc(c1)N(C)S(=O)(=O)[*:1]
CC(C)c1cccc(N(C)S(=O)(=O)CC2CCC2)c1 CC(C)[*:1] CN(c1cccc(c1)[*:1])S(=O)(=O)CC1CCC1
CC(C)c1cccc(N(C)S(=O)(=O)CC2CCC2)c1 C1CC(C1)[*:1] CC(C)c1cccc(c1)N(C)S(=O)(=O)C[*:1]
CCC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@@H]1C(N)=O NC(=O)[*:1] CCC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H]1[*:1]
CCC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@@H]1C(N)=O CCC[*:1] Cc1nn(C)c(c1C[NH2+][*:1])N1CCC[C@@H]1C(N)=O
COc1ccc(CC[C@@H](O)[C@@H](C)c2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)CC[C@@H](O)[C@@H](C)[*:1]
COc1ccccc1[C@H](C)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] COc1ccccc1[C@H](C)NC(=O)[*:1]
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)CC(C)C)c1C O=C([O-])[*:1] Cc1cc(cc(c1C)S(=O)(=O)N[C@@H](C)CC(C)C)[*:1]
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)CC(C)C)c1C CC(C)C[*:1] Cc1cc(cc(c1C)S(=O)(=O)N[C@@H](C)[*:1])C(=O)[O-]
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)CC(C)C)c1C CC(C)C[C@H](C)[*:1] Cc1cc(cc(c1C)S(=O)(=O)N[*:1])C(=O)[O-]
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)CC(C)C)c1C CC(C)[*:1] Cc1cc(cc(c1C)S(=O)(=O)N[C@@H](C)C[*:1])C(=O)[O-]
CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2)s1 c1ccc2c(c[nH]c2c1)[*:1] CCc1nnc(Nc2cccc(n2)[C@@H]2CCCN2C(=O)CC[*:1])s1
CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2)s1 c1ccc2c(c[nH]c2c1)C[*:1] CCc1nnc(Nc2cccc(n2)[C@@H]2CCCN2C(=O)C[*:1])s1
CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2)s1 CCc1nnc(s1)[*:1] O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccc(n1)N[*:1]
CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2)s1 CCc1nnc(N[*:1])s1 O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccc(n1)[*:1]
CC(C)NC(=O)Nc1ccccc1C(=O)OCc1ccc(F)cc1 CC(C)NC(=O)N[*:1] O=C(OCc1ccc(F)cc1)c1ccccc1[*:1]
CC(C)NC(=O)Nc1ccccc1C(=O)OCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)NC(=O)Nc1ccccc1C(=O)OC[*:1]
CC(C)NC(=O)Nc1ccccc1C(=O)OCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CC(C)NC(=O)Nc1ccccc1C(=O)O[*:1]
CC(C)NC(=O)Nc1ccccc1C(=O)OCc1ccc(F)cc1 CC(C)[*:1] O=C(Nc1ccccc1C(=O)OCc1ccc(F)cc1)N[*:1]
CCO[C@H](C)C(=O)OCc1ccc(C#N)cc1 CCO[C@H](C)[*:1] N#Cc1ccc(cc1)COC(=O)[*:1]
CCO[C@H](C)C(=O)OCc1ccc(C#N)cc1 CCO[*:1] C[C@H](C(=O)OCc1ccc(C#N)cc1)[*:1]
CCC[NH+](CC(=O)Nc1sccc1C#N)CC1CCCCC1 C1CCC(CC1)[*:1] CCC[NH+](CC(=O)Nc1sccc1C#N)C[*:1]
CCC[NH+](CC(=O)Nc1sccc1C#N)CC1CCCCC1 CCC[*:1] N#Cc1ccsc1NC(=O)C[NH+](CC1CCCCC1)[*:1]
CCC[NH+](CC(=O)Nc1sccc1C#N)CC1CCCCC1 C1CCC(CC1)C[*:1] CCC[NH+](CC(=O)Nc1sccc1C#N)[*:1]
CCC[NH+](CC(=O)Nc1sccc1C#N)CC1CCCCC1 N#Cc1ccsc1[*:1] CCC[NH+](CC(=O)N[*:1])CC1CCCCC1
COCC[NH2+]Cc1ccco1 COC[*:1] c1coc(c1)C[NH2+]C[*:1]
Cc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1Cl Cc1ccccc1[*:1] C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)[*:1]
Cc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1Cl Clc1ccccc1[*:1] Cc1ccccc1C(=O)NNC(=O)[C@H](C)O[*:1]
CC(C)(C)c1cc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)no1 Fc1ccc(cc1)C[*:1] CC(C)(C)c1cc(no1)NC(=O)N(CCc1ccccn1)[*:1]
CC(C)(C)c1cc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)no1 c1ccc(CC[*:1])nc1 CC(C)(C)c1cc(no1)NC(=O)N(Cc1ccc(F)cc1)[*:1]
CC(C)(C)c1cc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)no1 c1ccc(C[*:1])nc1 CC(C)(C)c1cc(no1)NC(=O)N(Cc1ccc(F)cc1)C[*:1]
CC(C)(C)c1cc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)no1 CC(C)(C)c1cc(no1)[*:1] O=C(N[*:1])N(CCc1ccccn1)Cc1ccc(F)cc1
CC(C)(C)c1cc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)no1 CC(C)(C)[*:1] O=C(Nc1cc(on1)[*:1])N(CCc1ccccn1)Cc1ccc(F)cc1
CC(C)(C)c1cc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] CC(C)(C)c1cc(no1)NC(=O)N(CCc1ccccn1)C[*:1]
CC(C)(C)c1cc(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)no1 c1ccc(nc1)[*:1] CC(C)(C)c1cc(no1)NC(=O)N(CC[*:1])Cc1ccc(F)cc1
CC[C@@H]1CCCCN1C(=O)C[S@](=O)Cc1nccn1C(F)F FC(F)[*:1] CC[C@@H]1CCCCN1C(=O)C[S@](=O)Cc1nccn1[*:1]
O=C(c1ccc(Br)cc1)N1CCC(Oc2nc3ccc(F)cc3s2)CC1 Brc1ccc(cc1)[*:1] O=C(N1CCC(CC1)Oc1nc2ccc(F)cc2s1)[*:1]
CCC(=O)N1CCC([NH2+]CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)[NH2+]CCO[*:1]
C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN(C)S(=O)(=O)[*:1])c1cc(F)ccc1N1CC[NH+](C)CC1
CC[NH2+]CCC(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])C[*:1] CC[NH2+]CCC(=O)NC1(CCC1)[*:1]
CC[NH2+]CCC(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])[*:1] CC[NH2+]CCC(=O)NC1(CCC1)C[*:1]
COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)[O-] c1coc(c1)[*:1] COc1ccc2C(C[C@H]3CN(CC[C@H]3CC(=O)[O-])C(=O)[*:1])=NCCc2c1
COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)[O-] O=C([O-])[*:1] COc1ccc2C(C[C@H]3CN(CC[C@H]3C[*:1])C(=O)c3ccco3)=NCCc2c1
COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)[O-] O=C([O-])C[*:1] COc1ccc2C(C[C@H]3CN(CC[C@@H]3[*:1])C(=O)c3ccco3)=NCCc2c1
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
COCCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1 COC[*:1] C1C[C@@H]2C[C@H]1C[C@H]2[NH2+]CC1(CC1)C[*:1]
COCCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1 COCC[*:1] C1C[C@@H]2C[C@H]1C[C@H]2[NH2+]CC1(CC1)[*:1]
Cc1cc(C(=O)N2CCC[C@H]2C[C@@H](C)O)ccc1F C[C@@H](O)[*:1] Cc1cc(ccc1F)C(=O)N1CCC[C@H]1C[*:1]
Cc1cc(C(=O)N2CCC[C@H]2C[C@@H](C)O)ccc1F C[C@@H](O)C[*:1] Cc1cc(ccc1F)C(=O)N1CCC[C@@H]1[*:1]
O=C(CN1CCO[C@H](c2ccc(F)c(F)c2)C1)NCCOc1ccc(F)cc1 Fc1ccc(cc1)OC[*:1] O=C(CN1CCO[C@@H](C1)c1ccc(F)c(F)c1)NC[*:1]
O=C(CN1CCO[C@H](c2ccc(F)c(F)c2)C1)NCCOc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] O=C(CN1CCO[C@@H](C1)c1ccc(F)c(F)c1)NCC[*:1]
O=C(CN1CCO[C@H](c2ccc(F)c(F)c2)C1)NCCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCO[C@@H](C1)c1ccc(F)c(F)c1)NCCO[*:1]
O=C(CN1CCO[C@H](c2ccc(F)c(F)c2)C1)NCCOc1ccc(F)cc1 Fc1ccc(cc1F)[*:1] O=C(CN1CCO[C@H](C1)[*:1])NCCOc1ccc(F)cc1
CN(Cc1nccs1)C(=O)NCCCN(C)c1ccccc1F c1csc(C[*:1])n1 CN(CCCNC(=O)N(C)[*:1])c1ccccc1F
CN(Cc1nccs1)C(=O)NCCCN(C)c1ccccc1F Fc1ccccc1[*:1] CN(Cc1nccs1)C(=O)NCCCN(C)[*:1]
CN(Cc1nccs1)C(=O)NCCCN(C)c1ccccc1F c1csc(n1)[*:1] CN(C[*:1])C(=O)NCCCN(C)c1ccccc1F
Cc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CCCC2=O)c1 O=C1CCCN1C[*:1] Cc1ccc(c(c1)NCc1ccccc1[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CCCC2=O)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)NCc1ccccc1CN1CCCC1=O)[*:1]
Cc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CCCC2=O)c1 O=C1CCCN1[*:1] Cc1ccc(c(c1)NCc1ccccc1C[*:1])[N+](=O)[O-]
CCCCOc1ncccc1CNC(=O)C1C[C@@H](C)O[C@H](C)C1 CCC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCc1cccnc1OC[*:1]
CCCCOc1ncccc1CNC(=O)C1C[C@@H](C)O[C@H](C)C1 CCCC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCc1cccnc1O[*:1]
CCCCOc1ncccc1CNC(=O)C1C[C@@H](C)O[C@H](C)C1 CCCCO[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCc1cccnc1[*:1]
Cc1ccc(CNC(=O)Cn2cc3c(n2)CCCC3)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1cc2CCCCc2n1)NC[*:1]
COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2nc3ccccc3[nH]2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])S(=O)(=O)N[C@H](C)c1nc2ccccc2[nH]1
CCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 CCOc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
CCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CCOc1ccccc1N1CC[NH+](CC1)CC(=O)Nc1ccc(Cl)c(c1)[*:1]
CCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 CCO[*:1] O=C(C[NH+]1CCN(CC1)c1ccccc1[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
COc1cc(NC(=O)NCC#CCOc2cccc3ccccc23)cc(OC)c1OC c1ccc2c(cccc2c1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)NCC#CCO[*:1]
COc1cccc(-n2cc(CN(C)C(=O)c3cn(CC4CCCCC4)nn3)cn2)c1 C1CCC(CC1)C[*:1] COc1cccc(c1)-n1cc(cn1)CN(C)C(=O)c1cn(nn1)[*:1]
COc1cccc(-n2cc(CN(C)C(=O)c3cn(CC4CCCCC4)nn3)cn2)c1 COc1cccc(c1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)c1cn(CC2CCCCC2)nn1
COc1cccc(-n2cc(CN(C)C(=O)c3cn(CC4CCCCC4)nn3)cn2)c1 C1CCC(CC1)[*:1] COc1cccc(c1)-n1cc(cn1)CN(C)C(=O)c1cn(C[*:1])nn1
Cc1cc(CNc2cccc(-c3nnc(C)s3)c2)n[nH]1 Cc1nnc(s1)[*:1] Cc1cc(CNc2cccc(c2)[*:1])n[nH]1
Cc1cc(CNc2cccc(-c3nnc(C)s3)c2)n[nH]1 Cc1cc(n[nH]1)[*:1] Cc1nnc(s1)-c1cccc(c1)NC[*:1]
CNC(=O)Cn1ccc2ccc(NC(=O)c3cc(C)ccc3F)cc21 Cc1ccc(F)c(c1)[*:1] CNC(=O)Cn1ccc2ccc(cc21)NC(=O)[*:1]
CNC(=O)Cn1ccc2ccc(NC(=O)c3cc(C)ccc3F)cc21 CNC(=O)[*:1] Cc1ccc(F)c(c1)C(=O)Nc1ccc2ccn(C[*:1])c2c1
CNC(=O)Cn1ccc2ccc(NC(=O)c3cc(C)ccc3F)cc21 CNC(=O)C[*:1] Cc1ccc(F)c(c1)C(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCNC(=S)N1CC=C(C2=c3ccccc3=[NH+]C2)CC1 COC[*:1] S=C(NC[*:1])N1CC=C(CC1)C1C[NH+]=c2ccccc2=1
COCCNC(=S)N1CC=C(C2=c3ccccc3=[NH+]C2)CC1 COCC[*:1] S=C(N[*:1])N1CC=C(CC1)C1C[NH+]=c2ccccc2=1
Cc1c(C(=O)O[C@@H](C)Cn2cccn2)nnn1-c1cccc2ncccc12 c1cnn(c1)[*:1] Cc1c(nnn1-c1cccc2ncccc12)C(=O)O[C@@H](C)C[*:1]
Cc1c(C(=O)O[C@@H](C)Cn2cccn2)nnn1-c1cccc2ncccc12 c1cnn(c1)C[*:1] Cc1c(nnn1-c1cccc2ncccc12)C(=O)O[C@@H](C)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCNC(=O)c1ccc(F)cc1Cl c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)CCNC(=O)c1ccc(F)cc1Cl
CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCNC(=O)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)CCNC(=O)[*:1]
CCOC(=O)c1csc(NC(=O)c2cccc(C#N)c2)n1 CCOC(=O)[*:1] N#Cc1cccc(c1)C(=O)Nc1nc(cs1)[*:1]
CCOc1cc(Br)c2c(c1)[C@H](O)CCC2 CCO[*:1] O[C@@H]1CCCc2c(Br)cc(cc21)[*:1]
O=C(Nc1nc(C2CC2)cs1)NC1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(Nc1nc(cs1)C1CC1)NC1CC[NH+](CC1)[*:1]
O=C(Nc1nc(C2CC2)cs1)NC1CC[NH+](C2CCCC2)CC1 C1CC1[*:1] O=C(Nc1nc(cs1)[*:1])NC1CC[NH+](CC1)C1CCCC1
C/C(=C/C(=O)N1CCOC[C@H]1C(N)=O)c1ccc(C(F)(F)F)cc1 NC(=O)[*:1] C/C(=C/C(=O)N1CCOC[C@@H]1[*:1])c1ccc(cc1)C(F)(F)F
C/C(=C/C(=O)N1CCOC[C@H]1C(N)=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C/C(=C/C(=O)N1CCOC[C@H]1C(N)=O)c1ccc(cc1)[*:1]
C=C(C)[C@H](Cc1cc(C)cc(C)c1)[NH2+]C C=C(C)[*:1] C[NH2+][C@@H](Cc1cc(C)cc(C)c1)[*:1]
COc1cccc(/C=C/C(=O)/C=C/c2ccsc2)c1 c1cc(cs1)[*:1] COc1cccc(/C=C/C(=O)C=C[*:1])c1
C[C@@H](OC(=O)c1cccnc1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](OC(=O)c1cccnc1)c1nc(no1)[*:1]
C[C@@H](OC(=O)c1cccnc1)c1nc(C(C)(C)C)no1 c1cncc(c1)[*:1] C[C@@H](OC(=O)[*:1])c1nc(no1)C(C)(C)C
CO[C@]1(C)C[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C1(C)C FC(F)(F)[*:1] CO[C@]1(C)C[C@H](NC(=O)Cn2ccc(n2)[*:1])C1(C)C
CCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCC(C)CC1)n2C CCC(=O)N[*:1] CC1CC[NH+](CCc2nc3cc(ccc3n2C)[*:1])CC1
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H]1CCC[C@H]1S(C)(=O)=O Clc1ccc(cc1)OC[*:1] Cc1nc(sc1C(=O)N(C)[C@@H]1CCC[C@H]1S(C)(=O)=O)[*:1]
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H]1CCC[C@H]1S(C)(=O)=O Clc1ccc(cc1)O[*:1] Cc1nc(C[*:1])sc1C(=O)N(C)[C@@H]1CCC[C@H]1S(C)(=O)=O
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H]1CCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H]1CCC[C@@H]1[*:1]
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H]1CCC[C@H]1S(C)(=O)=O Clc1ccc(cc1)[*:1] Cc1nc(CO[*:1])sc1C(=O)N(C)[C@@H]1CCC[C@H]1S(C)(=O)=O
Cc1cc(N[C@@H]2CCCC2(C)C)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N[C@@H]1CCCC1(C)C
O=CN1CCc2cc(C(=O)COc3ccc(Cl)cc3[N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] O=CN1CCc2cc(ccc21)C(=O)COc1ccc(Cl)cc1[*:1]
CCc1ncnc(N[C@H](C)c2ccc(Cl)s2)c1F Clc1ccc(s1)[*:1] CCc1ncnc(N[C@H](C)[*:1])c1F
Br[C@@H](Cc1nc2ccccc2o1)[C@H]1CCCOC1 C1COC[C@H](C1)[*:1] Br[C@@H](Cc1nc2ccccc2o1)[*:1]
COc1ccc(S[C@H](C)C(=O)NC(C)(C)c2ncc(C)s2)cc1 Cc1cnc(s1)[*:1] COc1ccc(cc1)S[C@H](C)C(=O)NC(C)(C)[*:1]
Cc1nc(C2CCN(C(=O)Nc3cnc(-c4ccccc4)s3)CC2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)C1CCN(CC1)C(=O)Nc1cnc(s1)[*:1]
Cc1nc(C2CCN(C(=O)Nc3cnc(-c4ccccc4)s3)CC2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)N1CCC(CC1)[*:1]
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] COc1ccc2c(C(=O)O[C@@H]2NNC(=O)[*:1])c1OC
COc1nc(C)c(C[NH2+]CC2CC2)s1 C1CC1[*:1] COc1nc(C)c(C[NH2+]C[*:1])s1
COc1nc(C)c(C[NH2+]CC2CC2)s1 C1CC1C[*:1] COc1nc(C)c(C[NH2+][*:1])s1
COc1ccc2nc(Nc3ncnc(N4CCCCCC4)c3N)sc2c1 C1CCCN(CC1)[*:1] COc1ccc2nc(Nc3ncnc(c3N)[*:1])sc2c1
CCc1nn(C)cc1NC(=O)C(=O)NCCC(C)C CC(C)CC[*:1] CCc1nn(C)cc1NC(=O)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCCC(C)C CC(C)C[*:1] CCc1nn(C)cc1NC(=O)C(=O)NC[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCCC(C)C CC(C)[*:1] CCc1nn(C)cc1NC(=O)C(=O)NCC[*:1]
CCCNC(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CCCNC(=O)N(Cc1cccc(c1)OC)[*:1]
CCCNC(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCCNC(=O)N(Cc1cccc(c1)OC)C[*:1]
CCCNC(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1 CCC[*:1] COc1cccc(c1)CN(C[C@H]1CCCO1)C(=O)N[*:1]
N#C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] N#C[C@H](NC(=O)C[C@H](O)[*:1])c1cccc(Cl)c1
N#C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] N#C[C@H](NC(=O)C[C@H](O)c1ccccc1)[*:1]
Cc1cnc(C(C)(C)NC(=O)c2cnc([C@H]3CCCO3)s2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
Cc1cnc(C(C)(C)NC(=O)c2cnc([C@H]3CCCO3)s2)s1 C1CO[C@H](C1)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)c1cnc(s1)[*:1]
COC(=O)c1ccoc1CSc1ccccc1C(N)=O COC(=O)[*:1] NC(=O)c1ccccc1SCc1occc1[*:1]
COC(=O)c1ccoc1CSc1ccccc1C(N)=O NC(=O)[*:1] COC(=O)c1ccoc1CSc1ccccc1[*:1]
CC(C)C[NH+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 CC(C)[*:1] N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+](C[*:1])C1CC1
CC(C)C[NH+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 c1ccc(cc1)[*:1] CC(C)C[NH+](CC(=O)Nc1c(C#N)cnn1[*:1])C1CC1
CC(C)C[NH+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 C1CC1[*:1] CC(C)C[NH+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[*:1]
CC(C)C[NH+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 CC(C)C[*:1] N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+](C1CC1)[*:1]
Cc1cc(C)cc(OC[C@H](O)CN2C(=O)N[C@H](CC(C)C)C2=O)c1 CC(C)C[*:1] Cc1cc(C)cc(c1)OC[C@H](O)CN1C(=O)N[C@H](C1=O)[*:1]
Cc1cc(C)cc(OC[C@H](O)CN2C(=O)N[C@H](CC(C)C)C2=O)c1 Cc1cc(C)cc(c1)[*:1] CC(C)C[C@H]1NC(=O)N(C[C@@H](O)CO[*:1])C1=O
Cc1cc(C)cc(OC[C@H](O)CN2C(=O)N[C@H](CC(C)C)C2=O)c1 CC(C)[*:1] Cc1cc(C)cc(c1)OC[C@H](O)CN1C(=O)N[C@H](C[*:1])C1=O
CCOc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 CCOc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-n1ccnc1
CCOc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 CCO[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-n1ccnc1
CCOc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 c1cn(cn1)[*:1] CCOc1ccccc1NC(=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
CCOC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 CCOC(=O)CO[*:1] O=c1c2ccccc2c2nccc3c4cc(ccc4n1c32)[*:1]
CCOC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 CCOC(=O)C[*:1] O=c1c2ccccc2c2nccc3c4cc(ccc4n1c32)O[*:1]
CCOC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 CCOC(=O)[*:1] O=c1c2ccccc2c2nccc3c4cc(ccc4n1c32)OC[*:1]
Cc1nc(C)c(-c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)s1 Fc1ccc(cc1)[*:1] Cc1nc(C)c(s1)-c1ccc(nn1)SCC(=O)NC[*:1]
Cc1nc(C)c(-c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)s1 Cc1nc(C)c(s1)[*:1] O=C(CSc1ccc(nn1)[*:1])NCc1ccc(F)cc1
Cc1nc(C)c(-c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)s1 Fc1ccc(cc1)C[*:1] Cc1nc(C)c(s1)-c1ccc(nn1)SCC(=O)N[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] CC(C)OC(=O)[C@@H](C)CNC(=O)c1cccc(c1F)[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)c1cccc(C(F)(F)F)c1F CC(C)[*:1] C[C@@H](CNC(=O)c1cccc(c1F)C(F)(F)F)C(=O)O[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)c1cccc(C(F)(F)F)c1F CC(C)OC(=O)[*:1] C[C@@H](CNC(=O)c1cccc(c1F)C(F)(F)F)[*:1]
CC(=O)N[C@@H](C(=O)N1CC2(CCCC2)c2ccccc21)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)N1CC2(CCCC2)c2ccccc21)[*:1]
CC(=O)N[C@@H](C(=O)N1CC2(CCCC2)c2ccccc21)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)N1CC2(CCCC2)c2ccccc21)[*:1]
CC1CC[NH+](Cc2ccc(CNC(=O)C3(c4ccc(F)cc4)CC3)cc2)CC1 Fc1ccc(cc1)[*:1] CC1CC[NH+](CC1)Cc1ccc(cc1)CNC(=O)C1(CC1)[*:1]
Cc1cccc([C@H](CNC(=O)c2ccc3cc[nH]c3c2)N2CCOCC2)c1 c1cc2ccc(cc2[nH]1)[*:1] Cc1cccc(c1)[C@H](CNC(=O)[*:1])N1CCOCC1
Cc1cccc([C@H](CNC(=O)c2ccc3cc[nH]c3c2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1ccc2cc[nH]c2c1
Cc1cccc([C@H](CNC(=O)c2ccc3cc[nH]c3c2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@H](CNC(=O)c1ccc2cc[nH]c2c1)[*:1]
COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](C)CC2)c1 COC[*:1] Cc1ccc(cc1C(=O)N1CCC[C@H](C)CC1)S(=O)(=O)NC[*:1]
COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](C)CC2)c1 COCC[*:1] Cc1ccc(cc1C(=O)N1CCC[C@H](C)CC1)S(=O)(=O)N[*:1]
COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](C)CC2)c1 COCCNS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N1CCC[C@H](C)CC1)[*:1]
O=C(Cc1cccc(F)c1)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1ccc(cc1)C[*:1] O=C(Cc1cccc(F)c1)Nc1nc2CC[NH+](Cc2s1)[*:1]
O=C(Cc1cccc(F)c1)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 Fc1cccc(c1)C[*:1] O=C(Nc1nc2CC[NH+](Cc3ccccc3)Cc2s1)[*:1]
O=C(Cc1cccc(F)c1)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1ccc(cc1)[*:1] O=C(Cc1cccc(F)c1)Nc1nc2CC[NH+](Cc2s1)C[*:1]
O=C(Cc1cccc(F)c1)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 Fc1cccc(c1)[*:1] O=C(C[*:1])Nc1nc2CC[NH+](Cc3ccccc3)Cc2s1
CCNC(=O)NC1(C(=O)NN2Cc3ccccc3C2)CCCC1 CCNC(=O)N[*:1] O=C(NN1Cc2ccccc2C1)C1(CCCC1)[*:1]
CC(=O)Nc1cc(NC(=O)CCC(=O)c2ccc(F)cc2F)ccc1F CC(=O)N[*:1] O=C(CCC(=O)c1ccc(F)cc1F)Nc1ccc(F)c(c1)[*:1]
CC(=O)Nc1cc(NC(=O)CCC(=O)c2ccc(F)cc2F)ccc1F Fc1ccc(c(F)c1)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)CCC(=O)[*:1]
COc1cc(C)c(SCC(=O)OC(C)C)cc1OC CC(C)OC(=O)[*:1] COc1cc(C)c(cc1OC)SC[*:1]
COc1cc(C)c(SCC(=O)OC(C)C)cc1OC CC(C)[*:1] COc1cc(C)c(cc1OC)SCC(=O)O[*:1]
Cn1cc(Br)cc(NC(=O)N2CCC[C@H]2CC(C)(C)C)c1=O CC(C)(C)C[*:1] Cn1cc(Br)cc(NC(=O)N2CCC[C@@H]2[*:1])c1=O
Cn1cc(Br)cc(NC(=O)N2CCC[C@H]2CC(C)(C)C)c1=O CC(C)(C)[*:1] Cn1cc(Br)cc(NC(=O)N2CCC[C@H]2C[*:1])c1=O
CS[C@@H](C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 CS[C@@H](C)[*:1] O=C(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
CS[C@@H](C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] CS[C@@H](C)C(=O)Nc1n[nH]c2ccc(cc12)[*:1]
Cc1nn(C)c2sc(C(=O)N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)cc12 CN(C(=O)OC(C)(C)C)[*:1] Cc1nn(C)c2sc(cc12)C(=O)N1CCC(CC1)C[*:1]
Cc1nn(C)c2sc(C(=O)N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)cc12 CC(C)(C)[*:1] Cc1nn(C)c2sc(cc12)C(=O)N1CCC(CC1)CN(C)C(=O)O[*:1]
C[C@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] C[C@H](CC(=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-])[*:1]
C[C@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](CC(=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-])c1ccc(cc1)[*:1]
C[C@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 O=[N+]([O-])[*:1] C[C@H](CC(=O)N1CCN(CC1)c1ccccc1[*:1])c1ccc(cc1)C(F)(F)F
C[C@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 O=[N+]([O-])c1ccccc1[*:1] C[C@H](CC(=O)N1CCN(CC1)[*:1])c1ccc(cc1)C(F)(F)F
CCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccccc2C)c1 CCC(=O)N[*:1] Cc1ccccc1CNC(=O)Nc1cc(ccc1Cl)[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccccc2C)c1 Cc1ccccc1C[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)N[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccccc2C)c1 Cc1ccccc1[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)NC[*:1]
CC(C)(CC(=O)[O-])NC(=O)[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 O=C([O-])[*:1] CC(C)(C[*:1])NC(=O)[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
CC(C)(CC(=O)[O-])NC(=O)[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 O=C([O-])C[*:1] CC(C)(NC(=O)[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[*:1]
CC(C)(C)OC(=O)N1CCc2nc(NC(=O)Cc3ccc(F)cc3)sc2C1 Fc1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
CC(C)(C)OC(=O)N1CCc2nc(NC(=O)Cc3ccc(F)cc3)sc2C1 CC(C)(C)[*:1] O=C(Cc1ccc(F)cc1)Nc1nc2CCN(Cc2s1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCc2nc(NC(=O)Cc3ccc(F)cc3)sc2C1 Fc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCc2nc(NC(=O)C[*:1])sc2C1
CCC[C@H]1C[C@H]1NC(=O)c1ccccc1OCc1noc(C)n1 CCC[*:1] Cc1nc(COc2ccccc2C(=O)N[C@@H]2C[C@@H]2[*:1])no1
CCC[C@H]1C[C@H]1NC(=O)c1ccccc1OCc1noc(C)n1 Cc1nc(no1)[*:1] CCC[C@H]1C[C@H]1NC(=O)c1ccccc1OC[*:1]
CCC[C@H]1C[C@H]1NC(=O)c1ccccc1OCc1noc(C)n1 Cc1nc(C[*:1])no1 CCC[C@H]1C[C@H]1NC(=O)c1ccccc1O[*:1]
O=C(NCCc1cnn(-c2ccccc2)c1)NC[C@@H]1CCC[C@@H]1O c1ccc(cc1)[*:1] O=C(NCCc1cnn(c1)[*:1])NC[C@@H]1CCC[C@@H]1O
O=C(Nc1ccccc1F)N1CCC[C@H](C(=O)N2CC[C@H](O)C2)C1 Fc1ccccc1[*:1] O=C(N[*:1])N1CCC[C@@H](C1)C(=O)N1CC[C@H](O)C1
O=C(Nc1ccccc1F)N1CCC[C@H](C(=O)N2CC[C@H](O)C2)C1 O=C(N1CC[C@H](O)C1)[*:1] O=C(Nc1ccccc1F)N1CCC[C@H](C1)[*:1]
O=C(COc1ccccc1Cl)N1CCN(C2CCCCC2)CC1 Clc1ccccc1[*:1] O=C(CO[*:1])N1CCN(CC1)C1CCCCC1
O=C(COc1ccccc1Cl)N1CCN(C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(COc1ccccc1Cl)N1CCN(CC1)[*:1]
Cc1ccsc1/C=N/NC(=O)C(=O)NC(C)C CC(C)[*:1] Cc1ccsc1/C=N/NC(=O)C(=O)N[*:1]
Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 c1csc(n1)[*:1] Cc1ccc(cc1)[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2oc3C(=O)N(c4nccs4)[C@H](c3c(=O)c2c1)[*:1]
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@]1(O)C(F)(F)F Clc1ccc(cc1)[*:1] O=C1Nc2c(c(=O)[nH]c(=O)n2[*:1])[C@]1(O)C(F)(F)F
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@]1(O)C(F)(F)F FC(F)(F)[*:1] O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@@]1(O)[*:1]
CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@H](C)C(=O)NC(=O)NC(C)(C)C CC(C)(C)NC(=O)NC(=O)[*:1] CCn1c(cnc1S[C@H](C)[*:1])-c1ccc2OCCOc2c1
CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@H](C)C(=O)NC(=O)NC(C)(C)C CC(C)(C)[*:1] CCn1c(cnc1S[C@H](C)C(=O)NC(=O)N[*:1])-c1ccc2OCCOc2c1
CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@H](C)C(=O)NC(=O)NC(C)(C)C c1cc2OCCOc2cc1[*:1] CCn1c(cnc1S[C@H](C)C(=O)NC(=O)NC(C)(C)C)[*:1]
O=C(NCC[C@@H]1CCCCN1C(=O)c1cc[nH]n1)C1CCCC1 C1CCC(C1)[*:1] O=C(c1cc[nH]n1)N1CCCC[C@H]1CCNC(=O)[*:1]
O=C(NCC[C@@H]1CCCCN1C(=O)c1cc[nH]n1)C1CCCC1 c1cc(n[nH]1)[*:1] O=C(NCC[C@@H]1CCCCN1C(=O)[*:1])C1CCCC1
C=C(C)[C@H]1[C@@H]2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34O[C@@H]3C[C@]2(O)[C@@]14C C=C(C)[*:1] C[C@]12[C@@H]3OC(=O)[C@]14O[C@@H]4C[C@@]2(O)[C@H]1C(=O)O[C@@H]3[C@H]1[*:1]
COc1ccc(-c2nc(Cc3ccc(OC)c(OC)c3)no2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)Cc1noc(n1)[*:1]
Cc1ccccc1N1CCN(C(=O)c2cscn2)[C@@H](C)C1 Cc1ccccc1[*:1] C[C@H]1CN(CCN1C(=O)c1cscn1)[*:1]
Cc1ccccc1N1CCN(C(=O)c2cscn2)[C@@H](C)C1 c1nc(cs1)[*:1] Cc1ccccc1N1CCN(C(=O)[*:1])[C@@H](C)C1
CCc1nc(NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)sc1C Clc1ccccc1[*:1] CCc1nc(NC(=O)[C@@H](C)NC(=O)[*:1])sc1C
Cc1ccc(CNc2ncc(-c3ccco3)c(-c3ccco3)n2)o1 Cc1ccc(CN[*:1])o1 c1coc(c1)-c1cnc(nc1-c1ccco1)[*:1]
Cc1ccc(CNc2ncc(-c3ccco3)c(-c3ccco3)n2)o1 c1coc(c1)[*:1] Cc1ccc(CNc2ncc(-c3ccco3)c(n2)[*:1])o1
Cc1ccc(CNc2ncc(-c3ccco3)c(-c3ccco3)n2)o1 c1coc(c1)[*:1] Cc1ccc(CNc2ncc(c(n2)-c2ccco2)[*:1])o1
Cc1ccc(CNc2ncc(-c3ccco3)c(-c3ccco3)n2)o1 Cc1ccc(C[*:1])o1 c1coc(c1)-c1cnc(nc1-c1ccco1)N[*:1]
Cc1ccc(CNc2ncc(-c3ccco3)c(-c3ccco3)n2)o1 Cc1ccc(o1)[*:1] c1coc(c1)-c1cnc(nc1-c1ccco1)NC[*:1]
Cc1ccc(OCC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)OC[*:1] C[C@@H]1C[C@H]1c1ccc(CN(C(=O)[*:1])[C@@H]2CCS(=O)(=O)C2)o1
Cc1ccc(OCC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CO[*:1])[C@@H]2CCS(=O)(=O)C2)o1
Cc1ccc(OCC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C[*:1])[C@@H]2CCS(=O)(=O)C2)o1
Cc1ccc(OCC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 O=S1(=O)CC[C@H](C1)[*:1] Cc1ccc(cc1)OCC(=O)N(Cc1ccc(o1)[C@@H]1C[C@H]1C)[*:1]
C=CCNC(=O)[C@H](C)NS(C)(=O)=O C=CC[*:1] C[C@H](NS(C)(=O)=O)C(=O)N[*:1]
O=C(NCC(C1CC1)C1CC1)NC[C@@H]1CCC[C@H]1O C1CC1[*:1] O=C(NCC(C1CC1)[*:1])NC[C@@H]1CCC[C@H]1O
O=C(NCC(C1CC1)C1CC1)NC[C@@H]1CCC[C@H]1O O[C@@H]1CCC[C@H]1[*:1] O=C(NCC(C1CC1)C1CC1)NC[*:1]
O=C(NNC(=O)c1ccc2nc3c(nc2c1)[C@H]1CC[C@@H]3C1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1ccc2nc3c(nc2c1)[C@H]1CC[C@@H]3C1
CCN(CCC(=O)[O-])C(=O)N(C)CCc1cccs1 O=C([O-])C[*:1] CCN(C[*:1])C(=O)N(C)CCc1cccs1
CCN(CCC(=O)[O-])C(=O)N(C)CCc1cccs1 c1csc(c1)[*:1] CCN(CCC(=O)[O-])C(=O)N(C)CC[*:1]
CCN(CCC(=O)[O-])C(=O)N(C)CCc1cccs1 O=C([O-])CC[*:1] CCN(C(=O)N(C)CCc1cccs1)[*:1]
CCN(CCC(=O)[O-])C(=O)N(C)CCc1cccs1 c1csc(c1)C[*:1] CCN(CCC(=O)[O-])C(=O)N(C)C[*:1]
CCN(CCC(=O)[O-])C(=O)N(C)CCc1cccs1 O=C([O-])[*:1] CCN(CC[*:1])C(=O)N(C)CCc1cccs1
Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](C)[NH2+][C@@H](C)CC[*:1]
CC(C)Oc1cccc([C@@H](C)NC(=O)C[C@@H]2CCCO2)c1 CC(C)O[*:1] C[C@@H](NC(=O)C[C@@H]1CCCO1)c1cccc(c1)[*:1]
CC(C)Oc1cccc([C@@H](C)NC(=O)C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] CC(C)Oc1cccc(c1)[C@@H](C)NC(=O)[*:1]
CC(C)Oc1cccc([C@@H](C)NC(=O)C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CC(C)Oc1cccc(c1)[C@@H](C)NC(=O)C[*:1]
CC(C)Oc1cccc([C@@H](C)NC(=O)C[C@@H]2CCCO2)c1 CC(C)[*:1] C[C@@H](NC(=O)C[C@@H]1CCCO1)c1cccc(c1)O[*:1]
Cc1cccc([C@H](C)CNC(=O)N2CC[C@H](C)[C@H](O)C2)c1 Cc1cccc(c1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NC[C@@H](C)[*:1]
O=C(Nc1cccnc1)c1cc(-c2ccc3c(c2)OCO3)on1 c1cncc(c1)[*:1] O=C(N[*:1])c1cc(on1)-c1ccc2OCOc2c1
CCOC(=O)C1(O)CCN(c2ncnc3sc4c(c23)CCCC4)CC1 CCOC(=O)[*:1] OC1(CCN(CC1)c1ncnc2sc3CCCCc3c12)[*:1]
Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c(C)c1 c1cnc(nc1)[*:1] Cc1ccc(C(=O)NC[C@@H]2CCCN(C2)[*:1])c(C)c1
CCn1c(N2CCN(C(=O)NCc3ccccc3)CC2)[nH+]c2ccccc21 c1ccc(cc1)C[*:1] CCn1c([nH+]c2ccccc21)N1CCN(CC1)C(=O)N[*:1]
CCn1c(N2CCN(C(=O)NCc3ccccc3)CC2)[nH+]c2ccccc21 c1ccc(cc1)[*:1] CCn1c([nH+]c2ccccc21)N1CCN(CC1)C(=O)NC[*:1]
CO[C@H](C)c1noc(CC(=O)C2CC2)n1 CO[C@H](C)[*:1] O=C(Cc1nc(no1)[*:1])C1CC1
CO[C@H](C)c1noc(CC(=O)C2CC2)n1 C1CC1[*:1] CO[C@H](C)c1noc(CC(=O)[*:1])n1
CO[C@H](C)c1noc(CC(=O)C2CC2)n1 O=C(C1CC1)[*:1] CO[C@H](C)c1noc(C[*:1])n1
COc1cc(-c2nnc3s/c(=C/c4ccc(Cl)cc4)c(=O)n23)cc(OC)c1OC Clc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-c1nnc2sc(=C[*:1])c(=O)n12
CCOc1cc2c(cc1NCC(=O)Nc1cc(F)ccc1F)O[C@@H](C)C2 Fc1ccc(F)c(c1)[*:1] CCOc1cc2C[C@H](C)Oc2cc1NCC(=O)N[*:1]
CCOc1cc2c(cc1NCC(=O)Nc1cc(F)ccc1F)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)NCC(=O)Nc1cc(F)ccc1F)[*:1]
CC(C)Oc1cccc(/C=C/C(=O)Nc2nc3c(s2)COCC3)c1 CC(C)[*:1] O=C(/C=C/c1cccc(c1)O[*:1])Nc1nc2CCOCc2s1
CC(C)Oc1cccc(/C=C/C(=O)Nc2nc3c(s2)COCC3)c1 CC(C)O[*:1] O=C(/C=C/c1cccc(c1)[*:1])Nc1nc2CCOCc2s1
O=C(CN(CCCO)CC(F)(F)F)N1CCC[C@H]2CCCC[C@H]21 OCCC[*:1] O=C(CN(CC(F)(F)F)[*:1])N1CCC[C@H]2CCCC[C@H]21
O=C(CN(CCCO)CC(F)(F)F)N1CCC[C@H]2CCCC[C@H]21 FC(F)(F)[*:1] O=C(CN(CCCO)C[*:1])N1CCC[C@H]2CCCC[C@H]21
O=C(CN(CCCO)CC(F)(F)F)N1CCC[C@H]2CCCC[C@H]21 FC(F)(F)C[*:1] O=C(CN(CCCO)[*:1])N1CCC[C@H]2CCCC[C@H]21
O=C(CN(CCCO)CC(F)(F)F)N1CCC[C@H]2CCCC[C@H]21 OCC[*:1] O=C(CN(CC(F)(F)F)C[*:1])N1CCC[C@H]2CCCC[C@H]21
C/C=C(/C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 C1CC[C@H](C[*:1])OC1 C/C=C(/C)C(=O)Nc1ccccc1O[*:1]
C/C=C(/C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 CC=C(C)[*:1] O=C(Nc1ccccc1OC[C@H]1CCCCO1)[*:1]
C/C=C(/C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 C/C=C(/C)C(=O)N[*:1] c1ccc(c(c1)OC[C@H]1CCCCO1)[*:1]
C/C=C(/C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] C/C=C(/C)C(=O)Nc1ccccc1OC[*:1]
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)[O-]
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)o1 O=C([O-])[*:1] Cc1ccc(cc1NC(=O)c1ccc(Br)o1)[*:1]
CC(C)CCN(C(=O)c1ccc(Cl)s1)C1CC1 CC(C)CC[*:1] O=C(c1ccc(Cl)s1)N(C1CC1)[*:1]
CC(C)CCN(C(=O)c1ccc(Cl)s1)C1CC1 CC(C)C[*:1] O=C(c1ccc(Cl)s1)N(C[*:1])C1CC1
CC(C)CCN(C(=O)c1ccc(Cl)s1)C1CC1 CC(C)[*:1] O=C(c1ccc(Cl)s1)N(CC[*:1])C1CC1
CC(C)CCN(C(=O)c1ccc(Cl)s1)C1CC1 C1CC1[*:1] CC(C)CCN(C(=O)c1ccc(Cl)s1)[*:1]
C[C@@H](CC(C)(C)c1ccccc1)Nn1cccc1 c1ccn(c1)N[*:1] C[C@@H](CC(C)(C)c1ccccc1)[*:1]
C[C@@H](CC(C)(C)c1ccccc1)Nn1cccc1 c1ccc(cc1)[*:1] C[C@@H](CC(C)(C)[*:1])Nn1cccc1
O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccccc2F)c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1CS[C@H](c2cccc(c2)NC(=O)[*:1])N1c1ccccc1F
O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccccc2F)c1)c1cccc(Cl)c1 Fc1ccccc1[*:1] O=C(Nc1cccc(c1)[C@H]1SCC(=O)N1[*:1])c1cccc(Cl)c1
C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1[*:1]
C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F C=C(C)C[*:1] CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[*:1]
C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F C=C(C)[*:1] CCN(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F
C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F FC(F)(F)[*:1] C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1O[*:1]
CC(C)(CNC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1)[*:1]
CC(C)(CNC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NC[*:1])N1CCCC[C@@H]1c1cc2ccccc2[nH]1
CC(C)(CNC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1)c1ccncc1 c1ccc2[nH]c(cc2c1)[*:1] CC(C)(CNC(=O)N1CCCC[C@H]1[*:1])c1ccncc1
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)[*:1]
CC1=C2[C@H](c3ccsc3C)C(C#N)=C(N)O[C@H]2N=N1 Cc1sccc1[*:1] CC1N=N[C@@H]2OC(N)=C(C#N)[C@@H](C=12)[*:1]
CCOCCOc1ccccc1[C@]1(C)Nc2ccccc2C(=O)N1C CCOC[*:1] CN1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1OC[*:1]
CCOCCOc1ccccc1[C@]1(C)Nc2ccccc2C(=O)N1C CCOCCO[*:1] CN1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1[*:1]
CCOCCOc1ccccc1[C@]1(C)Nc2ccccc2C(=O)N1C CCOCC[*:1] CN1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1O[*:1]
CCOCCOc1ccccc1[C@]1(C)Nc2ccccc2C(=O)N1C CCO[*:1] CN1C(=O)c2ccccc2N[C@@]1(C)c1ccccc1OCC[*:1]
Cc1cc(C)cc(NC(=O)CCSc2cc(C)ncn2)c1 Cc1cc(ncn1)[*:1] Cc1cc(C)cc(c1)NC(=O)CCS[*:1]
CSc1ncc(CN2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cn1 FC(F)(F)c1cccc(c1)[*:1] CSc1ncc(cn1)CN1CCC[C@@H]2CN(C[C@@H]21)C(=O)[*:1]
CSc1ncc(CN2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cn1 CSc1ncc(cn1)C[*:1] O=C(c1cccc(c1)C(F)(F)F)N1C[C@H]2CCCN([C@H]2C1)[*:1]
CSc1ncc(CN2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cn1 FC(F)(F)[*:1] CSc1ncc(cn1)CN1CCC[C@@H]2CN(C[C@@H]21)C(=O)c1cccc(c1)[*:1]
CSc1ncc(CN2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cn1 CSc1ncc(cn1)[*:1] O=C(c1cccc(c1)C(F)(F)F)N1C[C@H]2CCCN(C[*:1])[C@H]2C1
C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O Fc1ccccc1C[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1cccc(c1)C(F)(F)F
C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O Fc1ccccc1[*:1] C[C@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1cccc(c1)C(F)(F)F
C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O FC(F)(F)[*:1] C[C@]1(NC(=O)N(CC(=O)NCc2ccccc2F)C1=O)c1cccc(c1)[*:1]
C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O FC(F)(F)c1cccc(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)NCc2ccccc2F)C1=O)[*:1]
CC[C@H](NC(=O)N1CC=C(c2cccc(C)c2)CC1)c1ccncc1 Cc1cccc(c1)[*:1] CC[C@H](NC(=O)N1CC=C(CC1)[*:1])c1ccncc1
CC[C@H](NC(=O)N1CC=C(c2cccc(C)c2)CC1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)N1CC=C(CC1)c1cccc(C)c1)[*:1]
Cc1nc2c(N3CCC(C(=O)NCc4ccco4)CC3)ncnc2o1 c1coc(c1)[*:1] Cc1nc2c(ncnc2o1)N1CCC(CC1)C(=O)NC[*:1]
Cc1nc2c(N3CCC(C(=O)NCc4ccco4)CC3)ncnc2o1 c1coc(c1)C[*:1] Cc1nc2c(ncnc2o1)N1CCC(CC1)C(=O)N[*:1]
CC(=O)[C@H](C)NC(=O)Cc1ccc(F)c(F)c1 CC(=O)[C@H](C)[*:1] O=C(Cc1ccc(F)c(F)c1)N[*:1]
CC(=O)[C@H](C)NC(=O)Cc1ccc(F)c(F)c1 CC(=O)[*:1] C[C@H](NC(=O)Cc1ccc(F)c(F)c1)[*:1]
Cc1c(-c2nc[nH]n2)sc(C#N)c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(sc(C#N)c1[*:1])-c1nc[nH]n1
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C)cc3)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)N/C=C(/C#N)c1nc(cs1)[*:1]
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1csc(n1)/C(C#N)=C\N[*:1]
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)N[*:1] COc1ccc(cc1)-c1csc(n1)C(C#N)=C[*:1]
COc1ccc(C[NH+]2CCCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1cnn(n1)-c1ccccc1)N1CCC[NH+](CC1)C[*:1]
COc1ccc(C[NH+]2CCCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C[NH+]1CCCN(CC1)C(=O)c1cnn(n1)[*:1]
COc1ccc(C[NH+]2CCCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(c1cnn(n1)-c1ccccc1)N1CCC[NH+](CC1)[*:1]
O=C(CSc1ncc[nH]1)Nc1ccccc1C(=O)NC1CC1 O=C(NC1CC1)[*:1] O=C(CSc1ncc[nH]1)Nc1ccccc1[*:1]
O=C(CSc1ncc[nH]1)Nc1ccccc1C(=O)NC1CC1 C1CC1[*:1] O=C(CSc1ncc[nH]1)Nc1ccccc1C(=O)N[*:1]
O=C(CSc1ncc[nH]1)Nc1ccccc1C(=O)NC1CC1 c1c[nH]c(n1)SC[*:1] O=C(NC1CC1)c1ccccc1NC(=O)[*:1]
O=C(CSc1ncc[nH]1)Nc1ccccc1C(=O)NC1CC1 c1c[nH]c(n1)S[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NC1CC1
O=C(CSc1ncc[nH]1)Nc1ccccc1C(=O)NC1CC1 c1c[nH]c(n1)[*:1] O=C(CS[*:1])Nc1ccccc1C(=O)NC1CC1
CCc1nn(C)c(OC)c1CNc1ccc(C(=O)OC)c(C)n1 COC(=O)[*:1] CCc1nn(C)c(OC)c1CNc1ccc(c(C)n1)[*:1]
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cc1cnn(c1)[*:1]
CCn1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC)C2)n1 CCn1ccc(n1)[*:1] CCn1cc[nH+]c1[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)CC[NH+]1Cc2cccc(NC(=O)C(=O)N3CCC(CO)CC3)c2C1 CC(C)C[*:1] O=C(Nc1cccc2C[NH+](Cc21)C[*:1])C(=O)N1CCC(CO)CC1
CC(C)CC[NH+]1Cc2cccc(NC(=O)C(=O)N3CCC(CO)CC3)c2C1 CC(C)CC[*:1] O=C(Nc1cccc2C[NH+](Cc21)[*:1])C(=O)N1CCC(CO)CC1
CC(C)CC[NH+]1Cc2cccc(NC(=O)C(=O)N3CCC(CO)CC3)c2C1 CC(C)[*:1] O=C(Nc1cccc2C[NH+](CC[*:1])Cc21)C(=O)N1CCC(CO)CC1
CC(C)n1cc(NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)cn1 CC(C)(C)[*:1] CC(C)n1cc(cn1)NC(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)n1cc(NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)cn1 CC(C)[*:1] CC(C)(C)C(=O)N1CCN(CC1)C(=O)Nc1cnn(c1)[*:1]
Cn1cc(-c2cc(C(=O)N3CCC(O)(c4cccnc4F)CC3)no2)cn1 Cn1cc(cn1)[*:1] O=C(c1cc(on1)[*:1])N1CCC(O)(CC1)c1cccnc1F
Cn1cc(-c2cc(C(=O)N3CCC(O)(c4cccnc4F)CC3)no2)cn1 Fc1ncccc1[*:1] Cn1cc(cn1)-c1cc(no1)C(=O)N1CCC(O)(CC1)[*:1]
COc1ccc(C[NH+](C)CC2(CO)COC2)cc1F OCC1(COC1)[*:1] COc1ccc(cc1F)C[NH+](C)C[*:1]
Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)o1 Fc1cccc(c1)[*:1] Cc1ccc(o1)[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)[*:1]
Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)o1 c1ccc2c(c1)nnn2[*:1] Cc1ccc(o1)[C@@H](C(=O)NC1CCCC1)N(C(=O)C[*:1])c1cccc(F)c1
Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)o1 c1ccc2c(c1)nnn2C[*:1] Cc1ccc(o1)[C@@H](C(=O)NC1CCCC1)N(C(=O)[*:1])c1cccc(F)c1
Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)o1 O=C(NC1CCCC1)[*:1] Cc1ccc(o1)[C@@H](N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1)[*:1]
Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)o1 Cc1ccc(o1)[*:1] O=C(NC1CCCC1)[C@@H](N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1)[*:1]
Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)o1 C1CCC(C1)[*:1] Cc1ccc(o1)[C@@H](C(=O)N[*:1])N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[*:1]
C[C@@H]1c2ccccc2O[C@@H]1C(=O)OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H]1c2ccccc2O[C@@H]1C(=O)O[*:1]
C[C@@H]1c2ccccc2O[C@@H]1C(=O)OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H]1c2ccccc2O[C@@H]1C(=O)OC[*:1]
CC[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1c(C)nn(C)c1C C[C@H](C1CC1)[*:1] CC[C@@H](NC(=O)N(Cc1ccccc1)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1c(C)nn(C)c1C C1CC1[*:1] CC[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1c(C)nn(C)c1C c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)N([C@H](C)C1CC1)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)[*:1]
CC[C@@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1c(C)nn(C)c1C c1ccc(cc1)[*:1] CC[C@@H](NC(=O)N(C[*:1])[C@H](C)C1CC1)c1c(C)nn(C)c1C
CC(C)[C@H]([NH3+])CNC(=O)N1CCCCCC1 CC(C)[*:1] [NH3+][C@H](CNC(=O)N1CCCCCC1)[*:1]
CCC(=O)Nc1cccc(C(=O)NCC#N)c1 N#CC[*:1] CCC(=O)Nc1cccc(c1)C(=O)N[*:1]
CCC(=O)Nc1cccc(C(=O)NCC#N)c1 CCC(=O)N[*:1] N#CCNC(=O)c1cccc(c1)[*:1]
FC(F)(F)c1ccc2nc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)[nH]c2c1 FC(F)(F)[*:1] Clc1ccc(cc1)CN1CC[C@@H](C1)c1nc2ccc(cc2[nH]1)[*:1]
FC(F)(F)c1ccc2nc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)[nH]c2c1 Clc1ccc(cc1)[*:1] FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CCN(C1)C[*:1]
FC(F)(F)c1ccc2nc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)[nH]c2c1 Clc1ccc(cc1)C[*:1] FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CCN(C1)[*:1]
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1nc2c3c(ccc2s1)CCCC3 O=[N+]([O-])[*:1] O=C(Cn1cnc(n1)[*:1])Nc1nc2c3CCCCc3ccc2s1
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1nc2c3c(ccc2s1)CCCC3 O=[N+]([O-])c1ncn(n1)[*:1] O=C(C[*:1])Nc1nc2c3CCCCc3ccc2s1
CC(C)C(=O)Nc1nc(CC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cs1 CC(C)C(=O)N[*:1] O=C(Cc1csc(n1)[*:1])N1CCC[C@H]1Cn1cnc2ccccc21
CC(C)C(=O)Nc1nc(CC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cs1 c1ccc2c(c1)ncn2[*:1] CC(C)C(=O)Nc1nc(cs1)CC(=O)N1CCC[C@H]1C[*:1]
CC(C)C(=O)Nc1nc(CC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cs1 CC(C)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])N1CCC[C@H]1Cn1cnc2ccccc21
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)cc2)C[C@H](C)O1 c1coc(c1)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)CN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 CC(C)C[*:1] O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N(C1CC1)[*:1]
CC(C)CN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 c1csc(c1)[*:1] CC(C)CN(C(=O)NC[C@@H]([NH+]1CCCC1)[*:1])C1CC1
CC(C)CN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 CC(C)[*:1] O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N(C[*:1])C1CC1
CC(C)CN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[*:1]
N#CCCNC(=O)COc1cc(Cl)ccc1Cl N#CC[*:1] O=C(COc1cc(Cl)ccc1Cl)NC[*:1]
N#CCCNC(=O)COc1cc(Cl)ccc1Cl N#CCC[*:1] O=C(COc1cc(Cl)ccc1Cl)N[*:1]
O=[N+]([O-])c1ccc2nc(NCCO)sc2c1 OCC[*:1] O=[N+]([O-])c1ccc2nc(N[*:1])sc2c1
O=[N+]([O-])c1ccc2nc(NCCO)sc2c1 OCCN[*:1] O=[N+]([O-])c1ccc2nc(sc2c1)[*:1]
O=[N+]([O-])c1ccc2nc(NCCO)sc2c1 O=[N+]([O-])[*:1] OCCNc1nc2ccc(cc2s1)[*:1]
CCC[NH+](Cc1nc(Cl)ccc1Cl)C1CCC([NH3+])CC1 CCC[*:1] [NH3+]C1CCC(CC1)[NH+](Cc1nc(Cl)ccc1Cl)[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 Clc1ccc(cc1Cl)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)c1ccccc1
Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1ccc(C)c(c1)S(=O)(=O)NC[*:1]
Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)NC(=O)c1ccc(C)c(c1)S(=O)(=O)N[*:1]
Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)NCc1ccccc1)C(=O)N[*:1]
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1C(F)(F)F FC(F)(F)[*:1] N#Cc1ccc(cc1[*:1])S(=O)(=O)[N-]c1ccccc1O
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1C(F)(F)F Oc1ccccc1[*:1] N#Cc1ccc(cc1C(F)(F)F)S(=O)(=O)[N-][*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)c1ncoc1-c1cccs1 c1ccc(cc1)[*:1] Cc1cnn(c1NC(=O)c1ncoc1-c1cccs1)[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)c1ncoc1-c1cccs1 c1csc(c1)[*:1] Cc1cnn(-c2ccccc2)c1NC(=O)c1ncoc1[*:1]
O=C(c1cc(C2CC2)on1)N1[C@H]2CC[C@@H]1Cc1ncccc12 C1CC1[*:1] O=C(c1cc(on1)[*:1])N1[C@H]2CC[C@@H]1Cc1ncccc12
C[C@H]1C[C@@H](S[C@@H](C)c2cccs2)C(=O)O1 c1csc(c1)[*:1] C[C@H]1C[C@@H](S[C@@H](C)[*:1])C(=O)O1
COc1cc(NC(=O)[C@@H](C)Sc2nc(N)cc(N)n2)cc(OC)c1 Nc1cc(N)nc(n1)[*:1] COc1cc(cc(c1)OC)NC(=O)[C@@H](C)S[*:1]
CCc1cccc(OC(=O)c2cccc(OCC(N)=O)c2)c1 NC(=O)CO[*:1] CCc1cccc(c1)OC(=O)c1cccc(c1)[*:1]
CCc1cccc(OC(=O)c2cccc(OCC(N)=O)c2)c1 NC(=O)C[*:1] CCc1cccc(c1)OC(=O)c1cccc(c1)O[*:1]
CCc1cccc(OC(=O)c2cccc(OCC(N)=O)c2)c1 NC(=O)[*:1] CCc1cccc(c1)OC(=O)c1cccc(c1)OC[*:1]
CCn1cc(C(=O)C(=O)NC[C@](C)(O)c2ccc(F)cc2)cn1 Fc1ccc(cc1)[*:1] CCn1cc(cn1)C(=O)C(=O)NC[C@](C)(O)[*:1]
CCn1cc(C(=O)C(=O)NC[C@](C)(O)c2ccc(F)cc2)cn1 CCn1cc(cn1)[*:1] C[C@](O)(CNC(=O)C(=O)[*:1])c1ccc(F)cc1
Cc1cnc([C@H](C)NC(=O)Nc2ccc(-c3csnn3)cc2)s1 c1snnc1[*:1] Cc1cnc(s1)[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1cnc([C@H](C)NC(=O)Nc2ccc(-c3csnn3)cc2)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)-c1csnn1)[*:1]
O=c1c(C(F)(F)F)cccn1Cc1nc(-c2ccc(F)cc2)no1 FC(F)(F)[*:1] O=c1c(cccn1Cc1nc(no1)-c1ccc(F)cc1)[*:1]
O=c1c(C(F)(F)F)cccn1Cc1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] O=c1c(cccn1Cc1nc(no1)[*:1])C(F)(F)F
O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCCC2)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CN1C(=O)C(=NC12CCCCCC2)c1ccccc1)N[*:1]
O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCCC2)Nc1ccc(F)c(F)c1 c1ccc(cc1)[*:1] O=C(CN1C(=O)C(=NC12CCCCCC2)[*:1])Nc1ccc(F)c(F)c1
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1nnc2ccccc2c1=O CCOC(=O)[*:1] Cc1[nH]c(C)c(c1C(=O)Cn1nnc2ccccc2c1=O)[*:1]
O=C(CCn1c(=O)oc2ccccc21)NCCc1ccccc1F Fc1ccccc1C[*:1] O=C(CCn1c(=O)oc2ccccc21)NC[*:1]
O=C(CCn1c(=O)oc2ccccc21)NCCc1ccccc1F Fc1ccccc1[*:1] O=C(CCn1c(=O)oc2ccccc21)NCC[*:1]
Cn1cc(N2CCC[C@H](NC(=O)NCC(C)(C)CCO)C2)cn1 CC(C)(CCO)C[*:1] Cn1cc(cn1)N1CCC[C@@H](C1)NC(=O)N[*:1]
Cn1cc(N2CCC[C@H](NC(=O)NCC(C)(C)CCO)C2)cn1 CC(C)(CCO)[*:1] Cn1cc(cn1)N1CCC[C@@H](C1)NC(=O)NC[*:1]
Cn1cc(N2CCC[C@H](NC(=O)NCC(C)(C)CCO)C2)cn1 OCC[*:1] Cn1cc(cn1)N1CCC[C@@H](C1)NC(=O)NCC(C)(C)[*:1]
Cn1cc(N2CCC[C@H](NC(=O)NCC(C)(C)CCO)C2)cn1 Cn1cc(cn1)[*:1] CC(C)(CCO)CNC(=O)N[C@H]1CCCN(C1)[*:1]
CCN(Cc1ccccn1)C(=O)/C=C/c1ccccc1OC(F)F FC(F)[*:1] CCN(Cc1ccccn1)C(=O)/C=C/c1ccccc1O[*:1]
CCN(Cc1ccccn1)C(=O)/C=C/c1ccccc1OC(F)F c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)/C=C/c1ccccc1OC(F)F
CCN(Cc1ccccn1)C(=O)/C=C/c1ccccc1OC(F)F FC(F)O[*:1] CCN(Cc1ccccn1)C(=O)/C=C/c1ccccc1[*:1]
CCN(Cc1ccccn1)C(=O)/C=C/c1ccccc1OC(F)F c1ccc(C[*:1])nc1 CCN(C(=O)/C=C/c1ccccc1OC(F)F)[*:1]
C[C@H](CCCO)[NH2+]Cc1nnc(-c2ccccc2)o1 OCC[*:1] C[C@H](C[*:1])[NH2+]Cc1nnc(o1)-c1ccccc1
C[C@H](CCCO)[NH2+]Cc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@H](CCCO)[NH2+]Cc1nnc(o1)[*:1]
C[C@H](CCCO)[NH2+]Cc1nnc(-c2ccccc2)o1 OCCC[*:1] C[C@H]([NH2+]Cc1nnc(o1)-c1ccccc1)[*:1]
CC/[NH+]=C(/NCCC1CC[NH+](C)CC1)NC1CCC(C)CC1 CC1CCC(CC1)[*:1] CC/[NH+]=C(/NCCC1CC[NH+](C)CC1)N[*:1]
Cc1cc(C)c(C(=O)NCCc2ccccn2)c(C)c1 c1ccc(nc1)[*:1] Cc1cc(C)c(C(=O)NCC[*:1])c(C)c1
Cc1ccc(OCC(=O)NC(=S)NNC(=O)C2CC2)c(Br)c1 C1CC1[*:1] Cc1ccc(OCC(=O)NC(=S)NNC(=O)[*:1])c(Br)c1
CCCCNC(=O)C1CCN(C(=O)c2cccnc2OC)CC1 CCCC[*:1] COc1ncccc1C(=O)N1CCC(CC1)C(=O)N[*:1]
CCCCNC(=O)C1CCN(C(=O)c2cccnc2OC)CC1 CCC[*:1] COc1ncccc1C(=O)N1CCC(CC1)C(=O)NC[*:1]
CCCCNC(=O)C1CCN(C(=O)c2cccnc2OC)CC1 CCCCNC(=O)[*:1] COc1ncccc1C(=O)N1CCC(CC1)[*:1]
CC(=O)c1cccc(NC(=O)COC(=O)c2cccc3cccnc23)c1 CC(=O)[*:1] O=C(COC(=O)c1cccc2cccnc12)Nc1cccc(c1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)CCOc1cccc(C(N)=O)c1 NC(=O)[*:1] Cc1cccc(c1NC(=O)CCOc1cccc(c1)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)CCOc1cccc(C(N)=O)c1 CC(C)[*:1] Cc1cccc(c1NC(=O)CCOc1cccc(c1)C(N)=O)[*:1]
CC[C@@H](C)CN(CC)C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl CS(=O)(=O)[*:1] CC[C@@H](C)CN(CC)C(=O)c1cc(c(Cl)cc1Cl)[*:1]
CC[C@@H](C)CN(CC)C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl CC[C@@H](C)C[*:1] CCN(C(=O)c1cc(c(Cl)cc1Cl)S(C)(=O)=O)[*:1]
CC[C@@H](C)CN(CC)C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl CC[C@@H](C)[*:1] CCN(C[*:1])C(=O)c1cc(c(Cl)cc1Cl)S(C)(=O)=O
COc1ccccc1-c1c(C)nn2c(NCCc3ccccc3)cc(C)nc12 c1ccc(cc1)[*:1] COc1ccccc1-c1c(C)nn2c(cc(C)nc12)NCC[*:1]
COc1ccccc1-c1c(C)nn2c(NCCc3ccccc3)cc(C)nc12 c1ccc(cc1)C[*:1] COc1ccccc1-c1c(C)nn2c(cc(C)nc12)NC[*:1]
COc1ccccc1-c1c(C)nn2c(NCCc3ccccc3)cc(C)nc12 COc1ccccc1[*:1] Cc1cc(NCCc2ccccc2)n2nc(C)c(c2n1)[*:1]
COc1ccccc1-c1c(C)nn2c(NCCc3ccccc3)cc(C)nc12 c1ccc(cc1)CC[*:1] COc1ccccc1-c1c(C)nn2c(cc(C)nc12)N[*:1]
COc1ccccc1-c1c(C)nn2c(NCCc3ccccc3)cc(C)nc12 c1ccc(cc1)CCN[*:1] COc1ccccc1-c1c(C)nn2c(cc(C)nc12)[*:1]
CCc1ccccc1-c1[nH+]ccn1CC1(N2CC[NH+](C)CC2)CCCC1 CCc1ccccc1[*:1] C[NH+]1CCN(CC1)C1(CCCC1)Cn1cc[nH+]c1[*:1]
CC(C)CCNC(=O)N1CCC(C(N)=O)CC1 CC(C)[*:1] NC(=O)C1CCN(CC1)C(=O)NCC[*:1]
CC(C)CCNC(=O)N1CCC(C(N)=O)CC1 CC(C)CC[*:1] NC(=O)C1CCN(CC1)C(=O)N[*:1]
CC(C)CCNC(=O)N1CCC(C(N)=O)CC1 CC(C)C[*:1] NC(=O)C1CCN(CC1)C(=O)NC[*:1]
CC(C)CCNC(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] CC(C)CCNC(=O)N1CCC(CC1)[*:1]
O=C1C[C@H](c2ccc(F)c(F)c2)c2cnn(C3CCCC3)c2N1 C1CCC(C1)[*:1] O=C1C[C@H](c2ccc(F)c(F)c2)c2cnn(c2N1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccnc2Br)cc1 Brc1ncccc1[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)O[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2cccnc2Br)cc1 CCN(CC)S(=O)(=O)[*:1] O=C(Oc1cccnc1Br)c1ccc(cc1)[*:1]
CC[C@H]1CCCCN1C(=O)[C@H](C)Nc1ccn(C)n1 Cn1ccc(n1)[*:1] CC[C@H]1CCCCN1C(=O)[C@H](C)N[*:1]
CCOC(=O)c1[nH]c(=O)[nH]c1CN1CCC2(CC1)C[NH+](C)CCN2C CCOC(=O)[*:1] CN1CC[NH+](C)CC12CCN(CC2)Cc1[nH]c(=O)[nH]c1[*:1]
COC(=O)[C@@H]1CN(CC(C)(C)CCC#N)CCO1 COC(=O)[*:1] CC(C)(CCC#N)CN1CCO[C@@H](C1)[*:1]
COC(=O)[C@@H]1CN(CC(C)(C)CCC#N)CCO1 N#CC[*:1] COC(=O)[C@@H]1CN(CCO1)CC(C)(C)C[*:1]
COC(=O)[C@@H]1CN(CC(C)(C)CCC#N)CCO1 N#CCC[*:1] COC(=O)[C@@H]1CN(CCO1)CC(C)(C)[*:1]
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 CCO[*:1] C[C@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1ccn(-c2ccccc2CNC(=O)C[C@@H](O)c2ccccc2)n1 O[C@@H](c1ccccc1)[*:1] Cc1ccn(n1)-c1ccccc1CNC(=O)C[*:1]
Cc1ccn(-c2ccccc2CNC(=O)C[C@@H](O)c2ccccc2)n1 Cc1ccn(n1)[*:1] O=C(C[C@@H](O)c1ccccc1)NCc1ccccc1[*:1]
Cc1ccn(-c2ccccc2CNC(=O)C[C@@H](O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccn(n1)-c1ccccc1CNC(=O)C[C@@H](O)[*:1]
CN(C)C(=O)c1ccc(N(C)CCC(F)(F)F)nc1 FC(F)(F)C[*:1] CN(C)C(=O)c1ccc(nc1)N(C)C[*:1]
CN(C)C(=O)c1ccc(N(C)CCC(F)(F)F)nc1 CN(C)C(=O)[*:1] CN(CCC(F)(F)F)c1ccc(cn1)[*:1]
CN(C)C(=O)c1ccc(N(C)CCC(F)(F)F)nc1 FC(F)(F)CC[*:1] CN(C)C(=O)c1ccc(nc1)N(C)[*:1]
CN(C)C(=O)c1ccc(N(C)CCC(F)(F)F)nc1 FC(F)(F)[*:1] CN(C)C(=O)c1ccc(nc1)N(C)CC[*:1]
CCn1c(CN2CCO[C@H](Cn3cncn3)C2)nc2c(F)cccc21 c1ncn(n1)[*:1] CCn1c(CN2CCO[C@@H](C2)C[*:1])nc2c(F)cccc21
CCn1c(CN2CCO[C@H](Cn3cncn3)C2)nc2c(F)cccc21 c1ncn(C[*:1])n1 CCn1c(CN2CCO[C@H](C2)[*:1])nc2c(F)cccc21
O=C(CCNC(=O)OCC(F)(F)F)Nc1cc(Br)ccc1Br FC(F)(F)[*:1] O=C(CCNC(=O)OC[*:1])Nc1cc(Br)ccc1Br
O=C(CCNC(=O)OCC(F)(F)F)Nc1cc(Br)ccc1Br FC(F)(F)C[*:1] O=C(CCNC(=O)O[*:1])Nc1cc(Br)ccc1Br
COC(=O)c1sc2ncn([C@H](C)C(=O)OC)c(=O)c2c1C COC(=O)[*:1] COC(=O)[C@@H](C)n1cnc2sc(c(C)c2c1=O)[*:1]
COC(=O)c1sc2ncn([C@H](C)C(=O)OC)c(=O)c2c1C COC(=O)[*:1] COC(=O)c1sc2ncn(c(=O)c2c1C)[C@H](C)[*:1]
COC(=O)c1sc2ncn([C@H](C)C(=O)OC)c(=O)c2c1C COC(=O)[C@@H](C)[*:1] COC(=O)c1sc2ncn(c(=O)c2c1C)[*:1]
Cc1cccc(C)c1OCCN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] Cc1cccc(C)c1OCCN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1cccc(C)c1OCCN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O Cc1cccc(C)c1[*:1] C[C@@]1(NC(=O)N(CCO[*:1])C1=O)c1ccc(Cl)cc1
N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] N#C[C@H](C(=O)Cc1csc(n1)-c1ccccc1Cl)C(=O)N[*:1]
N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)NC1CCCCC1 Clc1ccccc1[*:1] N#C[C@H](C(=O)Cc1csc(n1)[*:1])C(=O)NC1CCCCC1
N#C[C@H](C(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] N#C[C@H](C(=O)Cc1csc(n1)-c1ccccc1Cl)[*:1]
C[NH2+][C@H](COC)[C@@H]1COc2ccccc2O1 COC[*:1] C[NH2+][C@H]([C@@H]1COc2ccccc2O1)[*:1]
C[C@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)C(=O)N1CCCC[C@H]1C C[C@@H]1CCCCN1C(=O)[*:1] C[C@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)[*:1]
C[C@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)C(=O)N1CCCC[C@H]1C C1CC1CO[*:1] C[C@H](NC(=O)Nc1ccc(F)cc1[*:1])C(=O)N1CCCC[C@H]1C
C[C@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)C(=O)N1CCCC[C@H]1C C1CC1[*:1] C[C@H](NC(=O)Nc1ccc(F)cc1OC[*:1])C(=O)N1CCCC[C@H]1C
C[C@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)C(=O)N1CCCC[C@H]1C C1CC1C[*:1] C[C@H](NC(=O)Nc1ccc(F)cc1O[*:1])C(=O)N1CCCC[C@H]1C
O=C(NCc1ccc[nH+]c1N1CCOCC1)C1CC1 C1CC1[*:1] O=C(NCc1ccc[nH+]c1N1CCOCC1)[*:1]
O=C(NCc1ccc[nH+]c1N1CCOCC1)C1CC1 C1CN(CCO1)[*:1] O=C(NCc1ccc[nH+]c1[*:1])C1CC1
O=C(NCc1ccc[nH+]c1N1CCOCC1)C1CC1 O=C(N[*:1])C1CC1 c1c[nH+]c(c(c1)C[*:1])N1CCOCC1
O=C(COC(=O)c1ccco1)Nc1ccc(Cl)cc1Cl c1coc(c1)[*:1] O=C(COC(=O)[*:1])Nc1ccc(Cl)cc1Cl
COC(=O)c1ccccc1-c1ccsc1 c1cc(cs1)[*:1] COC(=O)c1ccccc1[*:1]
COC(=O)c1ccccc1-c1ccsc1 COC(=O)[*:1] c1ccc(c(c1)-c1ccsc1)[*:1]
COc1ccccc1NC(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] COc1ccccc1NC(=O)c1ccc(cc1)[*:1]
Cl[C@@H](CC[C@@H]1CSc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] Cl[C@@H](CC[C@@H]1CSc2ccccc21)[*:1]
COc1ccc(Cl)cc1C[S@](=O)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1C[S@](=O)[C@@H](C)[*:1]
CN(C)c1nc(Cl)nc(OCC(C)(C)[NH+](C)C)n1 CN(C)[*:1] C[NH+](C)C(C)(C)COc1nc(Cl)nc(n1)[*:1]
CNc1cc[nH+]c(NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)n1 Fc1cccc(c1)[*:1] CNc1cc[nH+]c(n1)NCc1nc(c([nH]1)-c1ccccn1)[*:1]
CNc1cc[nH+]c(NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)n1 c1ccc(nc1)[*:1] CNc1cc[nH+]c(n1)NCc1nc(-c2cccc(F)c2)c([nH]1)[*:1]
C[C@@H]1CN(c2ccc(CNC(=O)CCCc3ccc(Cl)cc3)c[nH+]2)C[C@@H](C)O1 Clc1ccc(cc1)CC[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)C[*:1]
C[C@@H]1CN(c2ccc(CNC(=O)CCCc3ccc(Cl)cc3)c[nH+]2)C[C@@H](C)O1 Clc1ccc(cc1)C[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)CC[*:1]
C[C@@H]1CN(c2ccc(CNC(=O)CCCc3ccc(Cl)cc3)c[nH+]2)C[C@@H](C)O1 Clc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)CCC[*:1]
COCc1nc(C)c(C(=O)Nc2ccc3c(c2)C(=O)NC3)s1 COC[*:1] Cc1nc(sc1C(=O)Nc1ccc2CNC(=O)c2c1)[*:1]
CC(C)[C@H](NC(=O)Nc1cccc2c1OCCO2)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@H](NC(=O)Nc1cccc2OCCOc12)[*:1]
CC(C)[C@H](NC(=O)Nc1cccc2c1OCCO2)c1nc(C2CC2)no1 CC(C)[*:1] O=C(Nc1cccc2OCCOc12)N[C@H](c1nc(no1)C1CC1)[*:1]
CC(C)[C@H](NC(=O)Nc1cccc2c1OCCO2)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@H](NC(=O)Nc1cccc2OCCOc12)c1nc(no1)[*:1]
COc1ncnc(OC[C@H]2CCCC[C@H]2C[NH3+])c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ncnc(OC[C@H]2CCCC[C@H]2C[NH3+])c1[*:1]
Cc1cc(C)nc(N[C@H](C)C[C@H](O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)N[C@H](C)C[C@H](O)[*:1]
COc1cccc(CNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C)C(=O)N23)c1OC COc1cccc(c1OC)[*:1] C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NC[*:1])N2C1=O
CC(C)N1CCO[C@@H](COc2ccc(C=O)nc2)C1 CC(C)[*:1] O=Cc1ccc(cn1)OC[C@H]1CN(CCO1)[*:1]
C[C@@H](Cc1ccsc1)NC(=O)NCc1cccs1 c1csc(c1)C[*:1] C[C@@H](Cc1ccsc1)NC(=O)N[*:1]
C[C@@H](Cc1ccsc1)NC(=O)NCc1cccs1 c1cc(cs1)C[*:1] C[C@@H](NC(=O)NCc1cccs1)[*:1]
C[C@@H](Cc1ccsc1)NC(=O)NCc1cccs1 c1csc(c1)[*:1] C[C@@H](Cc1ccsc1)NC(=O)NC[*:1]
C[C@@H](Cc1ccsc1)NC(=O)NCc1cccs1 c1cc(cs1)[*:1] C[C@@H](C[*:1])NC(=O)NCc1cccs1
CCCCOCCNC(=O)[C@@H]1CCO[C@H]1C CCCCO[*:1] C[C@@H]1OCC[C@H]1C(=O)NCC[*:1]
CCCCOCCNC(=O)[C@@H]1CCO[C@H]1C CCC[*:1] C[C@@H]1OCC[C@H]1C(=O)NCCOC[*:1]
CCCCOCCNC(=O)[C@@H]1CCO[C@H]1C CCCC[*:1] C[C@@H]1OCC[C@H]1C(=O)NCCO[*:1]
COc1ccc(OC)c2sc(N(C[C@H]3CCCO3)C(=O)c3ccc4c(c3)OCCO4)nc12 c1cc2OCCOc2cc1[*:1] COc1ccc(OC)c2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)c2)no1 Cc1nc(no1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(F)c(F)c1)[*:1]
Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)c2)no1 Fc1ccc(cc1F)[*:1] Cc1nc(no1)-c1ccc(C)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)c2)no1 O=C(Nc1ccc(F)c(F)c1)[*:1] Cc1nc(no1)-c1ccc(C)c(c1)S(=O)(=O)N1CCC(CC1)[*:1]
CC[C@H](CCO)NC(=O)N[C@H](c1ccccc1C)C(C)(C)C CC[C@H](CCO)[*:1] Cc1ccccc1[C@@H](NC(=O)N[*:1])C(C)(C)C
CC[C@H](CCO)NC(=O)N[C@H](c1ccccc1C)C(C)(C)C Cc1ccccc1[*:1] CC[C@H](CCO)NC(=O)N[C@H](C(C)(C)C)[*:1]
CC[C@H](CCO)NC(=O)N[C@H](c1ccccc1C)C(C)(C)C CC(C)(C)[*:1] CC[C@H](CCO)NC(=O)N[C@H](c1ccccc1C)[*:1]
CC[C@H](CCO)NC(=O)N[C@H](c1ccccc1C)C(C)(C)C OCC[*:1] CC[C@H](NC(=O)N[C@H](c1ccccc1C)C(C)(C)C)[*:1]
C[NH2+][C@H]1CCN([C@@H](C)CCc2ccco2)[C@@H](C)[C@H]1C c1coc(c1)[*:1] C[NH2+][C@H]1CCN([C@@H](C)CC[*:1])[C@@H](C)[C@H]1C
C[NH2+][C@H]1CCN([C@@H](C)CCc2ccco2)[C@@H](C)[C@H]1C c1coc(c1)C[*:1] C[NH2+][C@H]1CCN([C@@H](C)C[*:1])[C@@H](C)[C@H]1C
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccon1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)Nc1ccon1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccon1 c1cc(no1)[*:1] Cc1onc(-c2ccccc2)c1C(=O)N[*:1]
CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cccs1 c1csc(c1)[*:1] CCOC(=O)C1=C(NC(=S)N[C@@H]1[*:1])c1ccccc1
CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cccs1 CCOC(=O)[*:1] S=C1NC(=C([C@@H](N1)c1cccs1)[*:1])c1ccccc1
CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cccs1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(NC(=S)N[C@H]1c1cccs1)[*:1]
O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2ccccc2)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(NC[*:1])N1CC[C@@H](C1)Nc1ccccc1
O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C1)[*:1]
O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C1)N[*:1]
CCOc1ccc(/N=C2\S/C(=C\c3ccc(O)c(OC)c3)C(=O)N2CC)cc1 COc1cc(ccc1O)[*:1] CCOc1ccc(cc1)/N=C1\SC(=C[*:1])C(=O)N1CC
CCOc1ccc(/N=C2\S/C(=C\c3ccc(O)c(OC)c3)C(=O)N2CC)cc1 CCOc1ccc(cc1)[*:1] CCN1C(=O)/C(=C/c2ccc(O)c(c2)OC)SC1=N[*:1]
CCOc1ccc(/N=C2\S/C(=C\c3ccc(O)c(OC)c3)C(=O)N2CC)cc1 CCO[*:1] CCN1C(=O)/C(=C/c2ccc(O)c(c2)OC)S/C1=N\c1ccc(cc1)[*:1]
N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccccc1F Fc1ccccc1[*:1] N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1[*:1]
CC(=O)Nc1cc(N[C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])N[C@H]1CC(=O)N(C1=O)c1ccc2ccccc2c1
C[C@H](CNC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1)C[C@@H](C)O c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@]1(C)CCCN1C(=O)[*:1])C[C@@H](C)O
C[C@H](CNC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1)C[*:1]
C[C@H](CNC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1)[*:1]
CC(C)[C@@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)N(C)C CN(C)C(=O)[*:1] CC(C)[C@@H](Sc1nnc(Cc2ccccc2F)o1)[*:1]
CC(C)[C@@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)N(C)C Fc1ccccc1[*:1] CC(C)[C@@H](Sc1nnc(C[*:1])o1)C(=O)N(C)C
CC(C)[C@@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)N(C)C CC(C)[*:1] CN(C)C(=O)[C@H](Sc1nnc(Cc2ccccc2F)o1)[*:1]
C[C@H]1CCCCN1Cc1cc[n+](Cc2ccc(Cl)cc2Cl)cc1 C[C@H]1CCCCN1[*:1] Clc1ccc(C[n+]2ccc(cc2)C[*:1])c(Cl)c1
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)S(=O)(=O)c2nccn2C)C1 Cn1ccnc1[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](C)S(=O)(=O)[*:1]
[O-]C1=c2ccccc2=[NH+]C2=[NH+]C[C@@H](CSc3ccc(Cl)cc3)N21 Clc1ccc(cc1)[*:1] [O-]C1=c2ccccc2=[NH+]C2=[NH+]C[C@@H](CS[*:1])N21
C[C@H](C(=O)Nc1nccs1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 c1csc(n1)[*:1] C[C@H](C(=O)N[*:1])N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2
C[C@H](C(=O)Nc1nccs1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 O=C(Nc1nccs1)[*:1] C[C@H](N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)[*:1]
CC(C)[C@H]1C(=O)NCC(=O)N1C[C@H]1CN(C)CCO1 CC(C)[*:1] CN1CCO[C@H](C1)CN1C(=O)CNC(=O)[C@@H]1[*:1]
O=C(C[NH2+]C1CCCCCC1)Nc1ccc(F)c(F)c1F C1CCCC(CC1)[*:1] O=C(C[NH2+][*:1])Nc1ccc(F)c(F)c1F
CC(=O)Nc1cccc([C@H](C)N[C@@H](c2cccc(C)c2)c2ccccn2)c1 c1ccc(nc1)[*:1] CC(=O)Nc1cccc(c1)[C@H](C)N[C@@H](c1cccc(C)c1)[*:1]
CC(=O)Nc1cccc([C@H](C)N[C@@H](c2cccc(C)c2)c2ccccn2)c1 Cc1cccc(c1)[*:1] CC(=O)Nc1cccc(c1)[C@H](C)N[C@@H](c1ccccn1)[*:1]
CC(=O)Nc1cccc([C@H](C)N[C@@H](c2cccc(C)c2)c2ccccn2)c1 CC(=O)N[*:1] Cc1cccc(c1)[C@H](N[C@@H](C)c1cccc(c1)[*:1])c1ccccn1
CCn1c(CN2CCCCCC2=O)nnc1SCc1cnc(-c2ccccc2)s1 O=C1CCCCCN1[*:1] CCn1c(C[*:1])nnc1SCc1cnc(s1)-c1ccccc1
CCn1c(CN2CCCCCC2=O)nnc1SCc1cnc(-c2ccccc2)s1 O=C1CCCCCN1C[*:1] CCn1c(nnc1[*:1])SCc1cnc(s1)-c1ccccc1
CCn1c(CN2CCCCCC2=O)nnc1SCc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CCn1c(CN2CCCCCC2=O)nnc1SCc1cnc(s1)[*:1]
O=C(NCc1ccc(-n2ccnc2)nc1)c1c[nH]c2nccc(Cl)c12 c1cn(cn1)[*:1] O=C(NCc1ccc(nc1)[*:1])c1c[nH]c2nccc(Cl)c12
CC(C)(C)OC(=O)N1CCC([S@@](=O)c2nc3ccccc3nc2Cl)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)[S@@](=O)c1nc2ccccc2nc1Cl
Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1C CN(C)S(=O)(=O)[*:1] Cc1cc(cc(NCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1C)[*:1]
O=C(C[C@H](O)c1ccccc1)N[C@@H](CN1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N[C@@H](CN1CCOCC1)c1ccccc1
O=C(C[C@H](O)c1ccccc1)N[C@@H](CN1CCOCC1)c1ccccc1 C1CN(CCO1)C[*:1] O=C(C[C@H](O)c1ccccc1)N[C@@H](c1ccccc1)[*:1]
O=C(C[C@H](O)c1ccccc1)N[C@@H](CN1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] O=C(C[C@H](O)c1ccccc1)N[C@@H](C[*:1])c1ccccc1
O=C(C[C@H](O)c1ccccc1)N[C@@H](CN1CCOCC1)c1ccccc1 O[C@H](c1ccccc1)[*:1] O=C(C[*:1])N[C@@H](CN1CCOCC1)c1ccccc1
O=C(C[C@H](O)c1ccccc1)N[C@@H](CN1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H](O)c1ccccc1)N[C@@H](CN1CCOCC1)[*:1]
Cc1cc(C)c2nc(N(CC[NH+]3CCOCC3)C(=O)c3ccco3)sc2c1 c1coc(c1)[*:1] Cc1cc(C)c2nc(sc2c1)N(CC[NH+]1CCOCC1)C(=O)[*:1]
CCOC(=O)[C@H](F)OCc1ccc2c(c1)OCO2 CCOC(=O)[*:1] F[C@H](OCc1ccc2OCOc2c1)[*:1]
Nc1ncc(C[NH+](CCO)C2CC2)s1 OCC[*:1] Nc1ncc(C[NH+](C2CC2)[*:1])s1
Nc1ncc(C[NH+](CCO)C2CC2)s1 C1CC1[*:1] Nc1ncc(C[NH+](CCO)[*:1])s1
C/C=C/CS(=O)(=O)[C@@H](C)C(=O)NCCc1ccccc1C Cc1ccccc1[*:1] C/C=C/CS(=O)(=O)[C@@H](C)C(=O)NCC[*:1]
C/C=C/CS(=O)(=O)[C@@H](C)C(=O)NCCc1ccccc1C CC=C[*:1] Cc1ccccc1CCNC(=O)[C@H](C)S(=O)(=O)C[*:1]
C/C=C/CS(=O)(=O)[C@@H](C)C(=O)NCCc1ccccc1C C/C=C/C[*:1] Cc1ccccc1CCNC(=O)[C@H](C)S(=O)(=O)[*:1]
Cc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C#N)o1 Cc1ccc(o1)[*:1] Cc1sc(NC(=O)C=C[*:1])c(C#N)c1C
CC[C@@H](O)c1cnn([C@H]2CCO[C@]3(CCSC3)C2)c1 CC[C@@H](O)[*:1] c1nn(cc1[*:1])[C@H]1CCO[C@]2(CCSC2)C1
CN(C)c1ncc(CNCC2(c3ccccc3)CC2)s1 CN(C)[*:1] c1ccc(cc1)C1(CC1)CNCc1cnc(s1)[*:1]
CN(C)c1ncc(CNCC2(c3ccccc3)CC2)s1 c1ccc(cc1)[*:1] CN(C)c1ncc(CNCC2(CC2)[*:1])s1
Cc1ccc(SCC(=O)N[C@@H](C(N)=O)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(SCC(=O)N[C@@H](C(N)=O)[*:1])c(C)c1
Cc1ccc(SCC(=O)N[C@@H](C(N)=O)c2ccccc2)c(C)c1 NC(=O)[*:1] Cc1ccc(SCC(=O)N[C@@H](c2ccccc2)[*:1])c(C)c1
C[NH+](C)CCN1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O O=[N+]([O-])[*:1] C[NH+](C)CCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)([C@H]2C1=O)[*:1]
CC[C@](C)([NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1C FC(F)(F)[*:1] CC[C@](C)([NH3+])C(=O)Nc1cc(ccc1C)[*:1]
Cc1ccc2[nH]c3nc(N/N=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)nnc3c2c1 O=[N+]([O-])[*:1] Cc1ccc2[nH]c3nc(nnc3c2c1)N/N=C/c1ccc(o1)-c1cccc(c1)[*:1]
Cc1ccc2[nH]c3nc(N/N=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)nnc3c2c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc2[nH]c3nc(nnc3c2c1)N/N=C/c1ccc(o1)[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1
COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1
CNC(=O)CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C CNC(=O)C[*:1] Cc1onc(c1C(=O)N[*:1])-c1c(Cl)cccc1Cl
CNC(=O)CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C CNC(=O)[*:1] Cc1onc(c1C(=O)NC[*:1])-c1c(Cl)cccc1Cl
CC(C)c1ccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)cc1 CC(C)[*:1] C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(cc1)[*:1]
CC[C@@](C)(NC(=O)c1cccc(Br)c1C)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)c1cccc(Br)c1C)[*:1]
COC(=O)c1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2Cc2ccc(F)cc2)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1ccccc1O[C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1[*:1]
COC(=O)c1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2Cc2ccc(F)cc2)cc1 Cc1ccccc1O[*:1] COC(=O)c1ccc(cc1)[C@H]1[C@H](C(=O)N1Cc1ccc(F)cc1)[*:1]
COC(=O)c1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1[C@H](Oc2ccccc2C)C(=O)N1C[*:1]
COC(=O)c1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2Cc2ccc(F)cc2)cc1 COC(=O)[*:1] Cc1ccccc1O[C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(cc1)[*:1]
COC(=O)c1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] COC(=O)c1ccc(cc1)[C@H]1[C@H](Oc2ccccc2C)C(=O)N1[*:1]
COC(=O)c1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2Cc2ccc(F)cc2)cc1 Cc1ccccc1[*:1] COC(=O)c1ccc(cc1)[C@H]1[C@H](O[*:1])C(=O)N1Cc1ccc(F)cc1
CC1CCN(c2ccc(C(=O)NC[C@@](C)(O)C(C)C)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC1CCN(CC1)c1ccc(cc1[*:1])C(=O)NC[C@@](C)(O)C(C)C
CC1CCN(c2ccc(C(=O)NC[C@@](C)(O)C(C)C)cc2[N+](=O)[O-])CC1 CC(C)[*:1] CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)NC[C@@](C)(O)[*:1]
CC1CCN(c2ccc(C(=O)NC[C@@](C)(O)C(C)C)cc2[N+](=O)[O-])CC1 CC1CCN(CC1)[*:1] CC(C)[C@](C)(O)CNC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1Cl C1CO[C@H](C1)[*:1] Cc1ccc(cc1Cl)N1C[C@@H](CC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1Cl C1CO[C@H](C1)C[*:1] Cc1ccc(cc1Cl)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCOC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] CCOC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)[*:1]
CCOC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 CCOC(=O)[*:1] C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC(C)(C)[*:1]
O=C(Cc1ccccc1)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccncc1)C2 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1nc2C[C@@H](CC(=O)c2s1)C(=O)N[C@@H](c1ccccc1)c1ccncc1
O=C(Cc1ccccc1)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccncc1)C2 c1ccc(cc1)C[*:1] O=C1C[C@H](Cc2nc(NC(=O)[*:1])sc21)C(=O)N[C@@H](c1ccccc1)c1ccncc1
O=C(Cc1ccccc1)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccncc1)C2 c1cc(ccn1)[*:1] O=C(Cc1ccccc1)Nc1nc2C[C@@H](CC(=O)c2s1)C(=O)N[C@@H](c1ccccc1)[*:1]
O=C(Cc1ccccc1)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccncc1)C2 O=C(Cc1ccccc1)N[*:1] O=C1C[C@H](Cc2nc(sc21)[*:1])C(=O)N[C@@H](c1ccccc1)c1ccncc1
O=C(Cc1ccccc1)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccncc1)C2 c1ccc(cc1)[*:1] O=C(Cc1ccccc1)Nc1nc2C[C@@H](CC(=O)c2s1)C(=O)N[C@@H](c1ccncc1)[*:1]
COC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 O=[N+]([O-])[*:1] COC(=O)N1CCN(CC1)c1ccc(c(n1)-c1ccccc1)[*:1]
COC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] COC(=O)N1CCN(CC1)c1ccc(c(n1)[*:1])[N+](=O)[O-]
Cc1[nH+]cn(C[C@H](C)NCc2cc[nH+]c(N3CCCC3)c2)c1C C1CCN(C1)[*:1] Cc1[nH+]cn(C[C@H](C)NCc2cc[nH+]c(c2)[*:1])c1C
CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCC4)C3)c2)no1 O=C(NC1CCCC1)[*:1] CCc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCC4)C3)c2)no1 CCc1nc(no1)[*:1] O=C(NC1CCCC1)[C@H]1CCCN(C1)S(=O)(=O)c1cc(cs1)[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCC4)C3)c2)no1 C1CCC(C1)[*:1] CCc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2ccccc2C)o1 Cc1ccccc1[*:1] Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)[*:1])o1
Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2ccccc2C)o1 Cc1ccc(C[*:1])o1 Cc1ccccc1[C@@H](C)NC(=O)N(CC[NH+](C)C)[*:1]
Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2ccccc2C)o1 Cc1ccc(o1)[*:1] Cc1ccccc1[C@@H](C)NC(=O)N(CC[NH+](C)C)C[*:1]
CC(C)(C)c1csc(C[C@H]([NH3+])[C@@H]2CCCO2)n1 C1CO[C@@H](C1)[*:1] CC(C)(C)c1csc(C[C@H]([NH3+])[*:1])n1
CC(C)(C)c1csc(C[C@H]([NH3+])[C@@H]2CCCO2)n1 CC(C)(C)[*:1] [NH3+][C@@H](Cc1nc(cs1)[*:1])[C@@H]1CCCO1
Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1cscn1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)c1cscn1)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1cscn1 c1nc(cs1)[*:1] Cc1cn(nc1NC(=O)[*:1])-c1ccccc1Cl
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC1 O=[N+]([O-])[*:1] O=C(Cn1cc(cn1)[*:1])N1CCCC1
COc1cc(NC(=O)N(C)Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)cc(OC)c1 O=C(N1CCCC1)[*:1] COc1cc(cc(c1)OC)NC(=O)N(C)Cc1nc2cc(ccc2n1C)[*:1]
COc1cc(NC(=O)N(C)Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)cc(OC)c1 COc1cc(cc(c1)[*:1])OC CN(Cc1nc2cc(ccc2n1C)C(=O)N1CCCC1)C(=O)N[*:1]
COc1ccc([C@@H]2NO[C@@H](c3ccc4c(=O)n(Cc5cccc(OC)c5)c(=O)[nH]c4c3)N2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)[C@@H]1NO[C@H](N1)c1ccc2c(=O)n(C[*:1])c(=O)[nH]c2c1
COc1ccc([C@@H]2NO[C@@H](c3ccc4c(=O)n(Cc5cccc(OC)c5)c(=O)[nH]c4c3)N2)cc1 COc1cccc(c1)C[*:1] COc1ccc(cc1)[C@@H]1NO[C@H](N1)c1ccc2c(=O)n(c(=O)[nH]c2c1)[*:1]
COc1ccc([C@@H]2NO[C@@H](c3ccc4c(=O)n(Cc5cccc(OC)c5)c(=O)[nH]c4c3)N2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)Cn1c(=O)[nH]c2cc(ccc2c1=O)[C@H]1N[C@@H](NO1)[*:1]
Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccon3)CC2)cc1F c1cc(no1)[*:1] Cc1ccc(cc1F)CNC(=O)C1CC[NH+](CC1)C[*:1]
Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccon3)CC2)cc1F Cc1ccc(cc1F)[*:1] O=C(NC[*:1])C1CC[NH+](CC1)Cc1ccon1
COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC[*:1]
COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)C(=O)Nc1ccc2c(c1)CCC(=O)N2C[*:1]
COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1OC CC(C)CC[*:1] COc1ccc(cc1OC)C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
COCc1cc(NC(=O)N[C@H]2CCN(CC(F)(F)F)C2)ncn1 COC[*:1] O=C(Nc1cc(ncn1)[*:1])N[C@H]1CCN(C1)CC(F)(F)F
COCc1cc(NC(=O)N[C@H]2CCN(CC(F)(F)F)C2)ncn1 FC(F)(F)C[*:1] COCc1cc(ncn1)NC(=O)N[C@H]1CCN(C1)[*:1]
COCc1cc(NC(=O)N[C@H]2CCN(CC(F)(F)F)C2)ncn1 FC(F)(F)[*:1] COCc1cc(ncn1)NC(=O)N[C@H]1CCN(C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](c2ccccn2)C(C)C)C1 CCOC[*:1] CC(C)[C@@H](NC(=O)N1CCC[C@@H](C1)[*:1])c1ccccn1
CCOC[C@H]1CCCN(C(=O)N[C@@H](c2ccccn2)C(C)C)C1 CC(C)[*:1] CCOC[C@H]1CCCN(C1)C(=O)N[C@@H](c1ccccn1)[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](c2ccccn2)C(C)C)C1 c1ccc(nc1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)N[C@@H](C(C)C)[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](c2ccccn2)C(C)C)C1 CCO[*:1] CC(C)[C@@H](NC(=O)N1CCC[C@@H](C1)C[*:1])c1ccccn1
NS(=O)(=O)c1ccc(NC(=O)[C@@H](SC2=NCCS2)c2ccccc2)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H](SC1=NCCS1)c1ccccc1
NS(=O)(=O)c1ccc(NC(=O)[C@@H](SC2=NCCS2)c2ccccc2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)[C@@H](SC1=NCCS1)[*:1]
c1ccc(-n2cc(C[NH2+]Cc3cccc4cn[nH]c34)cn2)cc1 c1ccc(cc1)[*:1] c1cc(C[NH2+]Cc2cnn(c2)[*:1])c2[nH]ncc2c1
Cc1ccc(S(=O)(=O)CCC(=O)Oc2ccc(Cl)cc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Oc1ccc(Cl)cc1Cl
COc1ccc(C(C)(C)CNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1OC Brc1cccc(c1)[*:1] COc1ccc(cc1OC)C(C)(C)CNC(=O)[C@@H]1C[C@H]1[*:1]
CC[C@](C)([NH3+])C(=O)NC[C@](C)(O)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)([NH3+])C(=O)NC[C@](C)(O)[*:1]
CC[C@](C)([NH3+])C(=O)NC[C@](C)(O)C(=O)[O-] CC[C@](C)([NH3+])[*:1] C[C@](O)(CNC(=O)[*:1])C(=O)[O-]
C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H](CC(N)=O)C2)cc1 NC(=O)[*:1] C[NH+](C)Cc1ccc(cc1)CNC(=O)N1CCC[C@@H](C1)C[*:1]
C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H](CC(N)=O)C2)cc1 NC(=O)C[*:1] C[NH+](C)Cc1ccc(cc1)CNC(=O)N1CCC[C@H](C1)[*:1]
O=C1[C@H]2CCCN2[C@H](c2ccc(C(F)(F)F)cc2)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1[C@H]2CCCN2[C@H](c2ccc(cc2)C(F)(F)F)N1[*:1]
O=C1[C@H]2CCCN2[C@H](c2ccc(C(F)(F)F)cc2)N1c1ccc(Cl)cc1 FC(F)(F)[*:1] O=C1[C@H]2CCCN2[C@H](c2ccc(cc2)[*:1])N1c1ccc(Cl)cc1
O=C([O-])c1ccccc1C(=O)NCCC1=c2cc(Cl)ccc2=[NH+][C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(NCCC1=c2cc(Cl)ccc2=[NH+][C@H]1C(=O)[O-])c1ccccc1[*:1]
O=C([O-])c1ccccc1C(=O)NCCC1=c2cc(Cl)ccc2=[NH+][C@H]1C(=O)[O-] O=C([O-])c1ccccc1[*:1] O=C([O-])[C@@H]1[NH+]=c2ccc(Cl)cc2=C1CCNC(=O)[*:1]
Cc1c(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc2n1C CC1(OCCO1)[*:1] Cc1c(/C=N/NC(=O)C[*:1])c2ccccc2n1C
Cc1c(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc2n1C CC1(C[*:1])OCCO1 Cc1c(/C=N/NC(=O)[*:1])c2ccccc2n1C
Cc1ccc(OC2CCN(C(=O)c3scnc3C)CC2)cc1C Cc1ncsc1[*:1] Cc1ccc(cc1C)OC1CCN(CC1)C(=O)[*:1]
CC[C@H](CSC)N(C)C(=O)c1ccc(Br)cc1OC CSC[*:1] CC[C@H](N(C)C(=O)c1ccc(Br)cc1OC)[*:1]
O=C(OCc1ncc(-c2ccccc2)o1)C1CCN(CC(F)(F)F)CC1 c1ccc(cc1)[*:1] O=C(OCc1ncc(o1)[*:1])C1CCN(CC1)CC(F)(F)F
O=C(OCc1ncc(-c2ccccc2)o1)C1CCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] O=C(OCc1ncc(o1)-c1ccccc1)C1CCN(CC1)C[*:1]
O=C(OCc1ncc(-c2ccccc2)o1)C1CCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] O=C(OCc1ncc(o1)-c1ccccc1)C1CCN(CC1)[*:1]
NC(=[NH2+])N1CCC[C@H]1C(=O)[O-] O=C([O-])[*:1] NC(=[NH2+])N1CCC[C@@H]1[*:1]
Cc1ccc(C(=O)Nc2ccnn2C(C)C)cc1NC(=O)c1ccco1 CC(C)n1nccc1[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2ccnn2C(C)C)cc1NC(=O)c1ccco1 CC(C)[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)Nc1ccnn1[*:1]
Cc1ccc(C(=O)Nc2ccnn2C(C)C)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)Nc1ccnn1C(C)C
Cc1ccc(C(=O)Nc2ccnn2C(C)C)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1[*:1])C(=O)Nc1ccnn1C(C)C
Cc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCSCC3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[NH+]1CCSCC1)N1CCN(CC1)C(=O)[*:1]
CCC[NH2+][C@H]1c2ccc(F)cc2O[C@H]1CC CCC[*:1] CC[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][*:1]
O=C(c1n[nH]c([O-])n1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 Fc1cccc(c1)[*:1] O=C(c1n[nH]c([O-])n1)N(C[C@H]1CCCO1)C[*:1]
O=C(c1n[nH]c([O-])n1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(c1n[nH]c([O-])n1)N(Cc1cccc(F)c1)C[*:1]
O=C(c1n[nH]c([O-])n1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(c1n[nH]c([O-])n1)N(Cc1cccc(F)c1)[*:1]
N#Cc1cccc(COc2cccc(NCc3nnc(C4CC4)o3)c2)c1 C1CC1c1nnc(o1)[*:1] N#Cc1cccc(c1)COc1cccc(c1)NC[*:1]
N#Cc1cccc(COc2cccc(NCc3nnc(C4CC4)o3)c2)c1 N#Cc1cccc(c1)[*:1] c1cc(cc(c1)OC[*:1])NCc1nnc(o1)C1CC1
N#Cc1cccc(COc2cccc(NCc3nnc(C4CC4)o3)c2)c1 C1CC1[*:1] N#Cc1cccc(c1)COc1cccc(c1)NCc1nnc(o1)[*:1]
CC[C@H](C)[C@H]1CNc2c(C)[nH+]n(C)c2N1 CC[C@H](C)[*:1] Cc1[nH+]n(C)c2N[C@H](CNc12)[*:1]
COC(=O)CNC(=O)c1cc(C)cc(C)c1 COC(=O)[*:1] Cc1cc(C)cc(c1)C(=O)NC[*:1]
COC(=O)CNC(=O)c1cc(C)cc(C)c1 COC(=O)C[*:1] Cc1cc(C)cc(c1)C(=O)N[*:1]
COCC[C@@H](C)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C CC(C)[*:1] COCC[C@@H](C)C(=O)Nc1cc(nn1[*:1])-c1ccccc1
COCC[C@@H](C)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C COC[*:1] CC(C)n1nc(cc1NC(=O)[C@H](C)C[*:1])-c1ccccc1
COCC[C@@H](C)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C c1ccc(cc1)[*:1] COCC[C@@H](C)C(=O)Nc1cc(nn1C(C)C)[*:1]
COCC[C@@H](C)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C COCC[*:1] CC(C)n1nc(cc1NC(=O)[C@H](C)[*:1])-c1ccccc1
Clc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 Clc1ccc(cc1)C[*:1] c1ccc(cc1)-n1c(nnc1-c1ccncc1)S[*:1]
Clc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 c1cc(ccn1)[*:1] Clc1ccc(cc1)CSc1nnc(n1-c1ccccc1)[*:1]
Clc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 Clc1ccc(cc1)[*:1] c1ccc(cc1)-n1c(nnc1-c1ccncc1)SC[*:1]
Clc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Clc1ccc(cc1)CSc1nnc(-c2ccncc2)n1[*:1]
O=C(N[C@@H](c1ccccc1)c1ccccn1)C1CCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] O=C(N[C@@H](c1ccccc1)c1ccccn1)C1CCN(CC1)[*:1]
O=C(N[C@@H](c1ccccc1)c1ccccn1)C1CCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] O=C(N[C@@H](c1ccccc1)c1ccccn1)C1CCN(CC1)C[*:1]
O=C(N[C@@H](c1ccccc1)c1ccccn1)C1CCN(CC(F)(F)F)CC1 c1ccc(cc1)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])C1CCN(CC1)CC(F)(F)F
O=C(N[C@@H](c1ccccc1)c1ccccn1)C1CCN(CC(F)(F)F)CC1 c1ccc(nc1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])C1CCN(CC1)CC(F)(F)F
Cc1ccc(O[C@H](C)C(=O)N(C)C2CCOCC2)c(Br)c1 C1CC(CCO1)[*:1] Cc1ccc(O[C@H](C)C(=O)N(C)[*:1])c(Br)c1
CCCOc1ccc(CNC(=O)Cc2ccc(C)c(O)c2)cc1 CCCO[*:1] Cc1ccc(cc1O)CC(=O)NCc1ccc(cc1)[*:1]
CCCOc1ccc(CNC(=O)Cc2ccc(C)c(O)c2)cc1 CCC[*:1] Cc1ccc(cc1O)CC(=O)NCc1ccc(cc1)O[*:1]
CCn1c(CC2CCN(C(=O)C/C=C/c3ccccc3)CC2)nn(C)c1=O CCn1c(nn(C)c1=O)[*:1] O=C(C/C=C/c1ccccc1)N1CCC(CC1)C[*:1]
CCn1c(CC2CCN(C(=O)C/C=C/c3ccccc3)CC2)nn(C)c1=O C(=C[*:1])c1ccccc1 CCn1c(CC2CCN(CC2)C(=O)C[*:1])nn(C)c1=O
CCn1c(CC2CCN(C(=O)C/C=C/c3ccccc3)CC2)nn(C)c1=O C(=C/c1ccccc1)\C[*:1] CCn1c(CC2CCN(CC2)C(=O)[*:1])nn(C)c1=O
CCn1c(CC2CCN(C(=O)C/C=C/c3ccccc3)CC2)nn(C)c1=O c1ccc(cc1)[*:1] CCn1c(CC2CCN(CC2)C(=O)CC=C[*:1])nn(C)c1=O
COc1cccc([C@H](O)CN[C@@H](C)c2nc3ccccc3n2C(F)F)c1 FC(F)[*:1] COc1cccc(c1)[C@H](O)CN[C@@H](C)c1nc2ccccc2n1[*:1]
COc1cccc([C@H](O)CN[C@@H](C)c2nc3ccccc3n2C(F)F)c1 COc1cccc(c1)[*:1] C[C@H](NC[C@@H](O)[*:1])c1nc2ccccc2n1C(F)F
CCOC(=O)CN(C(=O)c1ccc2c(c1)[nH]c(=O)n2C)C1CCCC1 CCOC(=O)C[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)N(C1CCCC1)[*:1]
CCOC(=O)CN(C(=O)c1ccc2c(c1)[nH]c(=O)n2C)C1CCCC1 C1CCC(C1)[*:1] CCOC(=O)CN(C(=O)c1ccc2c(c1)[nH]c(=O)n2C)[*:1]
CCOC(=O)CN(C(=O)c1ccc2c(c1)[nH]c(=O)n2C)C1CCCC1 CCOC(=O)[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)N(C[*:1])C1CCCC1
C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)C1 c1ccc2[nH]c(nc2c1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1ccccc1CS[*:1]
Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc([S@@](C)=O)cc1 Cc1ccccc1[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[S@@](C)=O)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
CN(c1cc2c(cc1Cl)C(=O)C(=O)N2)C1CCOCC1 C1CC(CCO1)[*:1] CN(c1cc2NC(=O)C(=O)c2cc1Cl)[*:1]
CCN(Cc1ccccn1)C(=O)c1ccc(C#N)cc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1ccc(C#N)cc1
CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 NC(=O)N[*:1] CC[C@@H](C)[C@H](C(=O)Nc1ccc(cc1)NC(=O)C(C)C)[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 CC[C@@H](C)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)[C@@H](NC(N)=O)[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(cc1)[*:1]
CCCCCCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 CCCC[*:1] Cc1ccc(cc1Cl)NC(=O)C(=O)NCC[*:1]
CCCCCCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 CCCCCC[*:1] Cc1ccc(cc1Cl)NC(=O)C(=O)N[*:1]
CCCCCCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 CCC[*:1] Cc1ccc(cc1Cl)NC(=O)C(=O)NCCC[*:1]
CCCCCCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 CCCCC[*:1] Cc1ccc(cc1Cl)NC(=O)C(=O)NC[*:1]
Cc1c(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1c(cccc1[*:1])NC(=O)CCNC(=O)c1ccc2ccccc2c1
Cc1c(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cccc1C(=O)N1CCCC1 c1ccc2cc(ccc2c1)[*:1] Cc1c(cccc1C(=O)N1CCCC1)NC(=O)CCNC(=O)[*:1]
NC(=O)N1CCC[C@@H](C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)C[*:1] NC(=O)N1CCC[C@H](C1)C(=O)Nc1ccnn1[*:1]
NC(=O)N1CCC[C@@H](C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)Nc1ccnn1C[*:1]
Cc1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)cc1 c1ccc(C[*:1])nc1 Cc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1F)[*:1]
Cc1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N(Cc1ccccn1)Cc1ccc(Br)cc1F)[*:1]
Cc1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)cc1 Fc1cc(Br)ccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccn1)C[*:1]
Cc1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1F)C[*:1]
Cc1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)cc1 Fc1cc(Br)ccc1C[*:1] Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccn1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])Nc2nnc(C3CC3)s2)cc1 C1CC1[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])Nc1nnc(s1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])Nc2nnc(C3CC3)s2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])Nc1nnc(s1)C1CC1)[*:1]
COC(=O)C[C@@H](NC(=O)Cc1c(C)nc2ccccc2c1C)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)Cc1c(C)nc2ccccc2c1C)[*:1]
COC(=O)C[C@@H](NC(=O)Cc1c(C)nc2ccccc2c1C)C1CC1 COC(=O)C[*:1] Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C1CC1)[*:1]
COC(=O)C[C@@H](NC(=O)Cc1c(C)nc2ccccc2c1C)C1CC1 COC(=O)[*:1] Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C[*:1])C1CC1
CC(C)COc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 CC(C)[*:1] O=C([O-])[C@H]1CC(=O)N(C1)c1cccc(c1)OC[*:1]
CC(C)COc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 CC(C)CO[*:1] O=C([O-])[C@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
CC(C)COc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 CC(C)C[*:1] O=C([O-])[C@H]1CC(=O)N(C1)c1cccc(c1)O[*:1]
CC(C)COc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 O=C([O-])[*:1] CC(C)COc1cccc(c1)N1C[C@@H](CC1=O)[*:1]
Cc1nn([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(c(C)c1[*:1])[C@@H](C)C(=O)Nc1ccc2OCCCOc2c1
O=C(Nc1ccc(C2(C(=O)NC3CCCCC3)CC2)cc1)c1ccc(F)cc1 C1CCC(CC1)[*:1] O=C(Nc1ccc(cc1)C1(CC1)C(=O)N[*:1])c1ccc(F)cc1
O=C(Nc1ccc(C2(C(=O)NC3CCCCC3)CC2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC1CCCCC1)C1(CC1)c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccc(C2(C(=O)NC3CCCCC3)CC2)cc1)c1ccc(F)cc1 O=C(NC1CCCCC1)[*:1] O=C(Nc1ccc(cc1)C1(CC1)[*:1])c1ccc(F)cc1
COC(=O)c1cc(-c2csc(NC(=O)c3sc(C)nc3C)n2)c[nH]1 COC(=O)[*:1] Cc1nc(C)c(s1)C(=O)Nc1nc(cs1)-c1c[nH]c(c1)[*:1]
COC(=O)c1cc(-c2csc(NC(=O)c3sc(C)nc3C)n2)c[nH]1 Cc1nc(C)c(s1)[*:1] COC(=O)c1cc(c[nH]1)-c1csc(n1)NC(=O)[*:1]
O=C(Nc1cccc(NC(=O)c2ccccc2)c1)OCC(F)(F)F FC(F)(F)[*:1] O=C(Nc1cccc(c1)NC(=O)c1ccccc1)OC[*:1]
O=C(Nc1cccc(NC(=O)c2ccccc2)c1)OCC(F)(F)F FC(F)(F)C[*:1] O=C(Nc1cccc(c1)NC(=O)c1ccccc1)O[*:1]
O=C(Nc1cccc(NC(=O)c2ccccc2)c1)OCC(F)(F)F c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])OCC(F)(F)F
O=C(CSCC(F)(F)F)Nc1ccccc1N1CCCCCC1 FC(F)(F)C[*:1] O=C(CS[*:1])Nc1ccccc1N1CCCCCC1
O=C(CSCC(F)(F)F)Nc1ccccc1N1CCCCCC1 FC(F)(F)[*:1] O=C(CSC[*:1])Nc1ccccc1N1CCCCCC1
O=C(CSCC(F)(F)F)Nc1ccccc1N1CCCCCC1 FC(F)(F)CSC[*:1] O=C(Nc1ccccc1N1CCCCCC1)[*:1]
O=C(CSCC(F)(F)F)Nc1ccccc1N1CCCCCC1 FC(F)(F)CS[*:1] O=C(C[*:1])Nc1ccccc1N1CCCCCC1
O=C(CSCC(F)(F)F)Nc1ccccc1N1CCCCCC1 C1CCCN(CC1)[*:1] O=C(CSCC(F)(F)F)Nc1ccccc1[*:1]
CCN(CC)C(=O)c1ccccc1NCC(=O)N1C[C@@H](C)C[C@H](C)C1 CCN(CC)C(=O)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CNc1ccccc1[*:1]
Cn1cc(-c2nnc3sc(-c4cccc(C(F)(F)F)c4)nn23)cn1 Cn1cc(cn1)[*:1] FC(F)(F)c1cccc(c1)-c1nn2c(nnc2s1)[*:1]
Cn1cc(-c2nnc3sc(-c4cccc(C(F)(F)F)c4)nn23)cn1 FC(F)(F)[*:1] Cn1cc(cn1)-c1nnc2sc(nn12)-c1cccc(c1)[*:1]
COCCc1noc(COc2cccc3ccc(C)nc23)n1 COC[*:1] Cc1ccc2cccc(OCc3nc(C[*:1])no3)c2n1
COCCc1noc(COc2cccc3ccc(C)nc23)n1 COCC[*:1] Cc1ccc2cccc(OCc3nc(no3)[*:1])c2n1
C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)CO1 O=[N+]([O-])[*:1] C[C@@H]1CN(Cc2nc(no2)-c2ccc(cc2)[*:1])[C@H](C)CO1
CCn1c(N2CCN(C(=O)C3CCCCC3)CC2)[nH+]c2ccccc21 C1CCC(CC1)[*:1] CCn1c([nH+]c2ccccc21)N1CCN(CC1)C(=O)[*:1]
CCOc1ccccc1-c1cccc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1 CCOc1ccccc1[*:1] CN1CCO[C@@H]2CN(C[C@H]21)C(=O)c1cccc(c1)[*:1]
CCOc1ccccc1-c1cccc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1 CCO[*:1] CN1CCO[C@@H]2CN(C[C@H]21)C(=O)c1cccc(c1)-c1ccccc1[*:1]
NS(=O)(=O)c1cccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] NS(=O)(=O)c1cccc(c1)S(=O)(=O)NCc1cccc(c1)[*:1]
NS(=O)(=O)c1cccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c1 NS(=O)(=O)[*:1] O=S(=O)(NCc1cccc(c1)C(F)(F)F)c1cccc(c1)[*:1]
NC(=O)[C@@H]1CCN(C(=O)c2ccnc3ccccc23)c2ccccc21 NC(=O)[*:1] O=C(c1ccnc2ccccc12)N1CC[C@H](c2ccccc21)[*:1]
CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCc1ccc(cc1)NC(=O)c1cnn2c1N=C(C[C@@H]2[*:1])C(=O)[O-]
CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2Cl)cc1 CCc1ccc(cc1)[*:1] O=C([O-])C1C[C@@H](c2ccccc2Cl)n2ncc(C(=O)N[*:1])c2N=1
C[C@H](CCCO)N1CC[NH2+]CC1 OCCC[*:1] C[C@H](N1CC[NH2+]CC1)[*:1]
C[C@H](CCCO)N1CC[NH2+]CC1 OCC[*:1] C[C@H](C[*:1])N1CC[NH2+]CC1
O=[N+]([O-])c1ccc(N2CCN(c3ncnc4sccc34)CC2)nc1 O=[N+]([O-])[*:1] c1nc(c2ccsc2n1)N1CCN(CC1)c1ccc(cn1)[*:1]
CC(C)Cc1n[nH]c(=S)n1-c1ccccc1 CC(C)[*:1] S=c1[nH]nc(C[*:1])n1-c1ccccc1
CC(C)Cc1n[nH]c(=S)n1-c1ccccc1 CC(C)C[*:1] S=c1[nH]nc(n1-c1ccccc1)[*:1]
COc1ccc(NC(=O)c2ccc(CN3CCN(c4ncccn4)CC3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)CN1CCN(CC1)c1ncccn1
COc1ccc(NC(=O)c2ccc(CN3CCN(c4ncccn4)CC3)cc2)cc1 c1cnc(nc1)[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)CN1CCN(CC1)[*:1]
COC(=O)Nc1cccc(/C([O-])=C(\C#N)C(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] COC(=O)Nc1cccc(c1)/C([O-])=C(\C#N)C(=O)N[*:1]
COC(=O)Nc1cccc(/C([O-])=C(\C#N)C(=O)NC2CCCC2)c1 COC(=O)N[*:1] N#C/C(C(=O)NC1CCCC1)=C(/[O-])c1cccc(c1)[*:1]
COC(=O)Nc1cccc(/C([O-])=C(\C#N)C(=O)NC2CCCC2)c1 O=C(NC1CCCC1)[*:1] COC(=O)Nc1cccc(c1)C([O-])=C(C#N)[*:1]
O=C(Nc1cc(Cl)ccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 Fc1ccc(Cl)cc1[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1
O=C(Nc1cc(Cl)ccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 c1cc2CCCc2cc1[*:1] O=C(Nc1cc(Cl)ccc1F)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)CNC(=O)c1ccc2c(=O)n(CC(C)C)c3nn(CC(N)=O)c(=O)n3c2c1 CC(C)C[*:1] CC(C)Cn1c(=O)c2ccc(cc2n2c(=O)n(CC(N)=O)nc12)C(=O)N[*:1]
CC(C)CNC(=O)c1ccc2c(=O)n(CC(C)C)c3nn(CC(N)=O)c(=O)n3c2c1 CC(C)[*:1] CC(C)CNC(=O)c1ccc2c(=O)n(C[*:1])c3nn(CC(N)=O)c(=O)n3c2c1
CC(C)CNC(=O)c1ccc2c(=O)n(CC(C)C)c3nn(CC(N)=O)c(=O)n3c2c1 CC(C)CNC(=O)[*:1] CC(C)Cn1c(=O)c2ccc(cc2n2c(=O)n(CC(N)=O)nc12)[*:1]
CC(C)CNC(=O)c1ccc2c(=O)n(CC(C)C)c3nn(CC(N)=O)c(=O)n3c2c1 NC(=O)[*:1] CC(C)CNC(=O)c1ccc2c(=O)n(CC(C)C)c3nn(C[*:1])c(=O)n3c2c1
CC(C)CNC(=O)c1ccc2c(=O)n(CC(C)C)c3nn(CC(N)=O)c(=O)n3c2c1 CC(C)C[*:1] CC(C)CNC(=O)c1ccc2c(=O)n(c3nn(CC(N)=O)c(=O)n3c2c1)[*:1]
CC(C)CNC(=O)c1ccc2c(=O)n(CC(C)C)c3nn(CC(N)=O)c(=O)n3c2c1 NC(=O)C[*:1] CC(C)CNC(=O)c1ccc2c(=O)n(CC(C)C)c3nn(c(=O)n3c2c1)[*:1]
CC(C)CNC(=O)c1ccc2c(=O)n(CC(C)C)c3nn(CC(N)=O)c(=O)n3c2c1 CC(C)[*:1] CC(C)Cn1c(=O)c2ccc(cc2n2c(=O)n(CC(N)=O)nc12)C(=O)NC[*:1]
Cc1cc(C(=O)NC(C)(C)CCC(=O)OC(C)(C)C)c2cnn(C)c2n1 CC(C)(C)OC(=O)C[*:1] Cc1cc(C(=O)NC(C)(C)C[*:1])c2cnn(C)c2n1
Cc1cc(C(=O)NC(C)(C)CCC(=O)OC(C)(C)C)c2cnn(C)c2n1 CC(C)(C)[*:1] Cc1cc(C(=O)NC(C)(C)CCC(=O)O[*:1])c2cnn(C)c2n1
Cc1cc(C(=O)NC(C)(C)CCC(=O)OC(C)(C)C)c2cnn(C)c2n1 CC(C)(C)OC(=O)[*:1] Cc1cc(C(=O)NC(C)(C)CC[*:1])c2cnn(C)c2n1
CC(C)(C(=O)N1CCN(S(N)(=O)=O)CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)(C(=O)N1CCN(CC1)S(N)(=O)=O)[*:1]
CC(=O)N1CCc2cc(NC(=O)c3ccccc3Cc3ccccc3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)c1ccccc1C[*:1]
CC(=O)N1CCc2cc(NC(=O)c3ccccc3Cc3ccccc3)ccc21 c1ccc(cc1)C[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)c1ccccc1[*:1]
C[C@H](/N=C1\SCCN1C(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](/N=C1\SCCN1C(=O)c1cc(=O)[nH]c2ccccc12)[*:1]
Cc1ccc(NC(=O)CCNC(=O)[C@@H](C)NC(=O)c2cccs2)c(Cl)c1 O=C(N[*:1])c1cccs1 Cc1ccc(NC(=O)CCNC(=O)[C@@H](C)[*:1])c(Cl)c1
Cc1ccc(NC(=O)CCNC(=O)[C@@H](C)NC(=O)c2cccs2)c(Cl)c1 c1csc(c1)[*:1] Cc1ccc(NC(=O)CCNC(=O)[C@@H](C)NC(=O)[*:1])c(Cl)c1
Cc1ccc(NC(=O)CCNC(=O)[C@@H](C)NC(=O)c2cccs2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] C[C@@H](NC(=O)c1cccs1)C(=O)NCCC(=O)N[*:1]
CC(C)CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 CC(C)C[*:1] O=C1CCSc2ccc(cc2N1)S(=O)(=O)NC[*:1]
CC(C)CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 CC(C)CC[*:1] O=C1CCSc2ccc(cc2N1)S(=O)(=O)N[*:1]
CC(C)CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 CC(C)[*:1] O=C1CCSc2ccc(cc2N1)S(=O)(=O)NCC[*:1]
O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)C1 C1CCC(C1)c1nc(no1)[*:1] O=C(NCc1ccco1)[C@H]1CCCN(C1)S(=O)(=O)c1cc(cs1)[*:1]
O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)C1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1cc(cs1)-c1noc(n1)C1CCCC1
O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)C1 O=C(NCc1ccco1)[*:1] O=S(=O)(c1cc(cs1)-c1noc(n1)C1CCCC1)N1CCC[C@@H](C1)[*:1]
O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)C1 C1CCC(C1)[*:1] O=C(NCc1ccco1)[C@H]1CCCN(C1)S(=O)(=O)c1cc(cs1)-c1noc(n1)[*:1]
O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)C1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1cc(cs1)-c1noc(n1)C1CCCC1
COC(CNC(=O)c1cc2c(s1)CSC2)OC COC(OC)[*:1] O=C(NC[*:1])c1cc2CSCc2s1
Cc1ccccc1Cn1nnc2c(=O)n(Cc3nc(-c4ccc(OC(C)C)cc4)no3)cnc21 CC(C)[*:1] Cc1ccccc1Cn1nnc2c(=O)n(cnc21)Cc1nc(no1)-c1ccc(cc1)O[*:1]
Cc1ccccc1Cn1nnc2c(=O)n(Cc3nc(-c4ccc(OC(C)C)cc4)no3)cnc21 CC(C)O[*:1] Cc1ccccc1Cn1nnc2c(=O)n(cnc21)Cc1nc(no1)-c1ccc(cc1)[*:1]
Cc1ccccc1Cn1nnc2c(=O)n(Cc3nc(-c4ccc(OC(C)C)cc4)no3)cnc21 CC(C)Oc1ccc(cc1)[*:1] Cc1ccccc1Cn1nnc2c(=O)n(cnc21)Cc1nc(no1)[*:1]
Cc1ccccc1Cn1nnc2c(=O)n(Cc3nc(-c4ccc(OC(C)C)cc4)no3)cnc21 Cc1ccccc1[*:1] CC(C)Oc1ccc(cc1)-c1noc(Cn2cnc3c(nnn3C[*:1])c2=O)n1
Cc1ccccc1Cn1nnc2c(=O)n(Cc3nc(-c4ccc(OC(C)C)cc4)no3)cnc21 Cc1ccccc1C[*:1] CC(C)Oc1ccc(cc1)-c1noc(Cn2cnc3c(nnn3[*:1])c2=O)n1
COc1cccc(C(=O)NCC(=O)N[C@@H](C)c2cc(C)c(F)c(C)c2)c1 COc1cccc(c1)[*:1] Cc1cc(cc(C)c1F)[C@H](C)NC(=O)CNC(=O)[*:1]
COc1c(C(=O)NCCc2csc(-c3ccccc3)n2)c(C)nn1C c1ccc(cc1)[*:1] COc1c(C(=O)NCCc2csc(n2)[*:1])c(C)nn1C
COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2C)cc1 Cc1cccc(c1C)[*:1] COc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)C(=O)N1CCN(CC1)[*:1]
COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N1CCN(CC1)c1cccc(C)c1C
O=C(Nc1nc2c(s1)CN(C(=O)Cn1cnc3ccccc31)CC2)c1cccs1 c1ccc2c(c1)ncn2[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)C[*:1])c1cccs1
O=C(Nc1nc2c(s1)CN(C(=O)Cn1cnc3ccccc31)CC2)c1cccs1 O=C(N[*:1])c1cccs1 O=C(Cn1cnc2ccccc21)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)Cn1cnc3ccccc31)CC2)c1cccs1 c1csc(c1)[*:1] O=C(Cn1cnc2ccccc21)N1CCc2nc(NC(=O)[*:1])sc2C1
CSC[C@@H](C)NC(=O)c1c[nH]c2nccc(Cl)c12 CSC[*:1] C[C@@H](NC(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CSC[C@@H](C)NC(=O)c1c[nH]c2nccc(Cl)c12 CSC[C@@H](C)[*:1] O=C(N[*:1])c1c[nH]c2nccc(Cl)c12
COc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1C(N)=O NC(=O)[*:1] COc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1[*:1]
CC(=O)Oc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)c1 CC(C)OC(=O)[*:1] CC(=O)Oc1cccc(c1)[C@@H]1C(=C(C)N=C2SCCC(=O)N21)[*:1]
CC(=O)Oc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)c1 CC(C)[*:1] CC(=O)Oc1cccc(c1)[C@@H]1C(C(=O)O[*:1])=C(C)N=C2SCCC(=O)N21
CC(=O)Oc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)c1 CC(=O)O[*:1] CC1N=C2SCCC(=O)N2[C@@H](C=1C(=O)OC(C)C)c1cccc(c1)[*:1]
C=CCN(CC=C)C(=O)c1ccc(Br)cc1N C=CC[*:1] C=CCN(C(=O)c1ccc(Br)cc1N)[*:1]
CCc1c(C)sc(NC(=O)c2cc(NC(C)=O)ccc2F)c1C#N CC(=O)N[*:1] CCc1c(C)sc(NC(=O)c2cc(ccc2F)[*:1])c1C#N
C[C@H]([NH2+]CC1CCOCC1)c1ccc(Cl)cc1Cl C1CC(CCO1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(Cl)cc1Cl
O=C(NCCc1ccccc1F)C1CC[NH+](Cn2c(=O)oc3ccc(Cl)cc32)CC1 Fc1ccccc1CC[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cn1c(=O)oc2ccc(Cl)cc21
O=C(NCCc1ccccc1F)C1CC[NH+](Cn2c(=O)oc3ccc(Cl)cc32)CC1 Fc1ccccc1C[*:1] O=C(NC[*:1])C1CC[NH+](CC1)Cn1c(=O)oc2ccc(Cl)cc21
O=C(NCCc1ccccc1F)C1CC[NH+](Cn2c(=O)oc3ccc(Cl)cc32)CC1 Fc1ccccc1[*:1] O=C(NCC[*:1])C1CC[NH+](CC1)Cn1c(=O)oc2ccc(Cl)cc21
Cc1cc(C[C@@H](C)N[C@H](C)c2ccccc2Br)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@H](C[*:1])N[C@H](C)c1ccccc1Br
CC(C)c1nc(N2CCC(C[NH+](C)C)CC2)sc1C[NH3+] CC(C)[*:1] C[NH+](C)CC1CCN(CC1)c1nc(c(C[NH3+])s1)[*:1]
CC1=NN(C(=O)c2c(Br)c(C(F)(F)F)nn2C)[C@@](O)(C(F)F)C1 FC(F)[*:1] CC1C[C@](O)(N(N=1)C(=O)c1c(Br)c(nn1C)C(F)(F)F)[*:1]
CC1=NN(C(=O)c2c(Br)c(C(F)(F)F)nn2C)[C@@](O)(C(F)F)C1 FC(F)(F)[*:1] CC1C[C@](O)(C(F)F)N(N=1)C(=O)c1c(Br)c(nn1C)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(Br)cc1F
CS(=O)(=O)N1CCC(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CS(=O)(=O)N1CCC(CC1)CNS(=O)(=O)c1ccccc1[*:1]
COC(=O)c1cc(CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)[C@@H]1CC(=O)N(C1)C(C)C
COC(=O)c1cc(CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)oc1C CC(C)[*:1] COC(=O)c1cc(CNC(=O)[C@@H]2CC(=O)N(C2)[*:1])oc1C
CCc1cccc(C)c1NC(=O)C[NH+](C)Cc1cnn(C)c1 Cn1cc(cn1)C[*:1] CCc1cccc(C)c1NC(=O)C[NH+](C)[*:1]
CCc1cccc(C)c1NC(=O)C[NH+](C)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] CCc1cccc(C)c1NC(=O)C[NH+](C)C[*:1]
C[NH+]1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 Fc1ccc(cc1)[*:1] C[NH+]1CCCN(CC1)c1nn2cc(nc2s1)[*:1]
Cn1cccc1C(=O)NNC(=O)c1ccc(-n2ccnn2)cc1 Cn1cccc1[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)-n1ccnn1
Cn1cccc1C(=O)NNC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] Cn1cccc1C(=O)NNC(=O)c1ccc(cc1)[*:1]
O=C(Cc1cccs1)N1CCc2nocc2C1 c1csc(c1)[*:1] O=C(C[*:1])N1CCc2nocc2C1
O[C@@]1(c2ccccc2)CS/C(=N\c2cccnc2)N1CCCn1ccnc1 c1cncc(c1)[*:1] O[C@]1(CSC(=N[*:1])N1CCCn1ccnc1)c1ccccc1
O[C@@]1(c2ccccc2)CS/C(=N\c2cccnc2)N1CCCn1ccnc1 c1cn(cn1)CCC[*:1] O[C@]1(CS/C(=N\c2cccnc2)N1[*:1])c1ccccc1
O[C@@]1(c2ccccc2)CS/C(=N\c2cccnc2)N1CCCn1ccnc1 c1cn(cn1)C[*:1] O[C@]1(CS/C(=N\c2cccnc2)N1CC[*:1])c1ccccc1
O[C@@]1(c2ccccc2)CS/C(=N\c2cccnc2)N1CCCn1ccnc1 c1cn(cn1)[*:1] O[C@]1(CS/C(=N\c2cccnc2)N1CCC[*:1])c1ccccc1
O[C@@]1(c2ccccc2)CS/C(=N\c2cccnc2)N1CCCn1ccnc1 c1cn(cn1)CC[*:1] O[C@]1(CS/C(=N\c2cccnc2)N1C[*:1])c1ccccc1
O[C@@]1(c2ccccc2)CS/C(=N\c2cccnc2)N1CCCn1ccnc1 c1ccc(cc1)[*:1] O[C@]1(CS/C(=N\c2cccnc2)N1CCCn1ccnc1)[*:1]
CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H]1CC[C@H](SC)C1 c1cc(ccn1)[*:1] CC[C@@H](N(C)C(=O)N[C@H]1CC[C@@H](C1)SC)[*:1]
O=C(Nc1cccc(SC(F)F)c1)N[C@H]1CCCC[C@@H]1CO FC(F)[*:1] O=C(Nc1cccc(c1)S[*:1])N[C@H]1CCCC[C@@H]1CO
O=C(Nc1cccc(SC(F)F)c1)N[C@H]1CCCC[C@@H]1CO FC(F)S[*:1] O=C(Nc1cccc(c1)[*:1])N[C@H]1CCCC[C@@H]1CO
COCc1nc2cc(NC(=O)CCC3CCCC3)ccc2o1 COC[*:1] O=C(CCC1CCCC1)Nc1ccc2oc(nc2c1)[*:1]
COCc1nc2cc(NC(=O)CCC3CCCC3)ccc2o1 C1CCC(C1)[*:1] COCc1nc2cc(ccc2o1)NC(=O)CC[*:1]
COCc1nc2cc(NC(=O)CCC3CCCC3)ccc2o1 C1CCC(C1)C[*:1] COCc1nc2cc(ccc2o1)NC(=O)C[*:1]
COCc1nc2cc(NC(=O)CCC3CCCC3)ccc2o1 C1CCC(C1)CC[*:1] COCc1nc2cc(ccc2o1)NC(=O)[*:1]
CC[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cc(C)ccc2C)C1 Cc1ccc(C)c(c1)[*:1] CC[C@@H]1CCCN(C1)C(=O)CCNS(=O)(=O)[*:1]
C[C@@H](c1ccc(F)cc1)S(=O)(=O)[C@H](C)C(=O)Nc1c(F)cccc1F Fc1ccc(cc1)[*:1] C[C@@H](S(=O)(=O)[C@H](C)C(=O)Nc1c(F)cccc1F)[*:1]
C[C@@H](c1ccc(F)cc1)S(=O)(=O)[C@H](C)C(=O)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@@H](c1ccc(F)cc1)S(=O)(=O)[C@H](C)C(=O)N[*:1]
CC1CCC([NH2+]CC(C)(C)C(=O)[O-])CC1 O=C([O-])[*:1] CC1CCC(CC1)[NH2+]CC(C)(C)[*:1]
Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)o2)n(C)n1 Cc1cc(n(C)n1)[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nnc(o1)[*:1]
CCCNc1nc(C(C)(C)OC)nc(C)c1Br CCC[*:1] COC(C)(C)c1nc(C)c(Br)c(n1)N[*:1]
CCCNc1nc(C(C)(C)OC)nc(C)c1Br COC(C)(C)[*:1] CCCNc1nc(nc(C)c1Br)[*:1]
CCCNc1nc(C(C)(C)OC)nc(C)c1Br CCCN[*:1] COC(C)(C)c1nc(C)c(Br)c(n1)[*:1]
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1cncc(Cl)n1 Clc1cncc(n1)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)[*:1]
CCOc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(OCC)c1 CCO[*:1] CCOc1cc(ccc1/C=C(\C#N)c1nc(cs1)-c1cc2ccccc2oc1=O)[*:1]
CCOc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(OCC)c1 CCO[*:1] CCOc1ccc(/C=C(\C#N)c2nc(cs2)-c2cc3ccccc3oc2=O)c(c1)[*:1]
CSc1ccc(CN(C)C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 FC(F)(F)[*:1] CSc1ccc(cc1)CN(C)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
CSc1ccc(CN(C)C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 CSc1ccc(cc1)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCC[C@H](C1)C(F)(F)F
COc1ccc(N2C[C@H](C(=O)NCc3cc(-c4ccccn4)n(C)n3)CC2=O)cc1 COc1ccc(cc1)[*:1] Cn1nc(cc1-c1ccccn1)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@H](C(=O)NCc3cc(-c4ccccn4)n(C)n3)CC2=O)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCc1cc(n(C)n1)[*:1]
OCC[NH+](Cc1ccccc1N1CCOCC1)CC1CC1 C1CC1[*:1] OCC[NH+](Cc1ccccc1N1CCOCC1)C[*:1]
OCC[NH+](Cc1ccccc1N1CCOCC1)CC1CC1 C1CC1C[*:1] OCC[NH+](Cc1ccccc1N1CCOCC1)[*:1]
OCC[NH+](Cc1ccccc1N1CCOCC1)CC1CC1 C1CN(CCO1)[*:1] OCC[NH+](Cc1ccccc1[*:1])CC1CC1
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNc1cccc(F)c1F Fc1cccc(c1F)[*:1] CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NN[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNc1cccc(F)c1F c1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)[*:1])C(=O)NNc1cccc(F)c1F
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNc1cccc(F)c1F CC[C@H](C)[*:1] O=C(N[C@H](C(=O)NNc1cccc(F)c1F)[*:1])c1ccccc1
O=C(NC[C@H](O)c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(NC[C@H](O)c1cccs1)c1ccc(cc1)[*:1]
O=C(NC[C@H](O)c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 c1csc(c1)[*:1] O=C(NC[C@H](O)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1ccc2[nH]ccc2c1 C1CCC(C1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1O[*:1])c1ccc2[nH]ccc2c1
O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1ccc2[nH]ccc2c1 C1CCC(C1)O[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])c1ccc2[nH]ccc2c1
CCOc1cc(/C=C/C(=O)c2scnc2C)cc(Cl)c1O CCO[*:1] Cc1ncsc1C(=O)/C=C/c1cc(Cl)c(O)c(c1)[*:1]
CCOc1cc(/C=C/C(=O)c2scnc2C)cc(Cl)c1O Cc1ncsc1[*:1] CCOc1cc(/C=C/C(=O)[*:1])cc(Cl)c1O
C[C@H](NC(=O)Cn1cc(NC(=O)Cc2ccccc2F)cn1)C1CC1 C1CC1[*:1] C[C@H](NC(=O)Cn1cc(cn1)NC(=O)Cc1ccccc1F)[*:1]
C[C@H](NC(=O)Cn1cc(NC(=O)Cc2ccccc2F)cn1)C1CC1 Fc1ccccc1C[*:1] C[C@H](NC(=O)Cn1cc(cn1)NC(=O)[*:1])C1CC1
C[C@H](NC(=O)Cn1cc(NC(=O)Cc2ccccc2F)cn1)C1CC1 Fc1ccccc1[*:1] C[C@H](NC(=O)Cn1cc(cn1)NC(=O)C[*:1])C1CC1
CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@H]2c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1c(cnn1[C@@H]2[*:1])C(=O)Nc1ccccc1
CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@H]2c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1c(cnn1[C@H]2c1ccc(Cl)cc1)C(=O)N[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@H]2c1ccc(Cl)cc1 O=C(Nc1ccccc1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1c(cnn1[C@H]2c1ccc(Cl)cc1)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCCCC1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCCCC1)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCCCC1 O=C(C[*:1])N1CCCCC1 CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[*:1]
CC[C@H](C)CN(C)c1ccccc1C=O CC[C@H](C)C[*:1] CN(c1ccccc1C=O)[*:1]
CC[C@H](C)CN(C)c1ccccc1C=O CC[C@H](C)[*:1] CN(C[*:1])c1ccccc1C=O
CCOC(=O)N1CCN(CC(=O)N2CCC[C@H]2c2cccs2)CC1 c1csc(c1)[*:1] CCOC(=O)N1CCN(CC1)CC(=O)N1CCC[C@@H]1[*:1]
C/[NH+]=C(\NCc1ccnn1C)NC[C@H]1CCC[C@H](C)C1 Cn1nccc1[*:1] C/[NH+]=C(/NC[C@H]1CCC[C@H](C)C1)NC[*:1]
Cc1cccc(NC2CCN(C(=O)CC3(O)CCCC3)CC2)c1 OC1(CCCC1)[*:1] Cc1cccc(c1)NC1CCN(CC1)C(=O)C[*:1]
Cc1cccc(NC2CCN(C(=O)CC3(O)CCCC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CC1(O)CCCC1)N1CCC(CC1)N[*:1]
Cc1cccc(NC2CCN(C(=O)CC3(O)CCCC3)CC2)c1 OC1(CCCC1)C[*:1] Cc1cccc(c1)NC1CCN(CC1)C(=O)[*:1]
Cc1csc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1 CN(C)C(=O)C[*:1] Cc1csc(c1)C(=O)Nc1ccc(cc1)[*:1]
Cc1csc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1 Cc1csc(c1)[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)[*:1]
Cc1csc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1 CN(C)C(=O)[*:1] Cc1csc(c1)C(=O)Nc1ccc(cc1)C[*:1]
Cc1ccc([C@@H](O)c2cnn(-c3ccccc3)c2)c(F)c1 c1ccc(cc1)[*:1] Cc1ccc(c(F)c1)[C@@H](O)c1cnn(c1)[*:1]
COc1ccccc1N1C(=O)[C@@H]2NN=C(C(=O)C(c3ccccc3)c3ccccc3)[C@@H]2C1=O COc1ccccc1[*:1] O=C(C1=NN[C@H]2C(=O)N(C(=O)[C@@H]12)[*:1])C(c1ccccc1)c1ccccc1
COc1ccccc1N1C(=O)[C@@H]2NN=C(C(=O)C(c3ccccc3)c3ccccc3)[C@@H]2C1=O c1ccc(cc1)[*:1] COc1ccccc1N1C(=O)[C@@H]2NN=C(C(=O)C(c3ccccc3)[*:1])[C@@H]2C1=O
O[C@H](CC1CC1)[C@H]1CN2CCC[C@@H]2CO1 C1CC1[*:1] O[C@H](C[*:1])[C@H]1CN2CCC[C@@H]2CO1
O[C@H](CC1CC1)[C@H]1CN2CCC[C@@H]2CO1 C1CC1C[*:1] O[C@H]([C@H]1CN2CCC[C@@H]2CO1)[*:1]
O=C(Nc1ccc(C(=O)NC2CC2)cc1)NC1CCCCC1 C1CC1[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])NC1CCCCC1
O=C(Nc1ccc(C(=O)NC2CC2)cc1)NC1CCCCC1 O=C(NC1CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])NC1CCCCC1
O=C(Nc1ccc(C(=O)NC2CC2)cc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccc(cc1)C(=O)NC1CC1)N[*:1]
Cn1c(=O)c([N+](=O)[O-])c(NCCC[NH+]2CCOCC2)c2ccccc21 O=[N+]([O-])[*:1] Cn1c(=O)c(c(NCCC[NH+]2CCOCC2)c2ccccc21)[*:1]
CC(C)CC(C)(C)CNC(=O)Cc1coc(-c2cccs2)n1 CC(C)[*:1] CC(C)(CNC(=O)Cc1coc(n1)-c1cccs1)C[*:1]
CC(C)CC(C)(C)CNC(=O)Cc1coc(-c2cccs2)n1 c1csc(c1)[*:1] CC(C)CC(C)(C)CNC(=O)Cc1coc(n1)[*:1]
CC(C)CC(C)(C)CNC(=O)Cc1coc(-c2cccs2)n1 CC(C)C[*:1] CC(C)(CNC(=O)Cc1coc(n1)-c1cccs1)[*:1]
CC(C)CC(C)(C)CNC(=O)Cc1coc(-c2cccs2)n1 CC(C)CC(C)(C)[*:1] O=C(Cc1coc(n1)-c1cccs1)NC[*:1]
O=C([O-])[C@@]1(CC2CCC2)CCOC1 C1CC(C1)[*:1] O=C([O-])[C@]1(CCOC1)C[*:1]
O=C([O-])[C@@]1(CC2CCC2)CCOC1 O=C([O-])[*:1] C1CC(C1)C[C@]1(CCOC1)[*:1]
CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] CC(=O)n1c2c(OC(N)=C(C#N)[C@@H]2[*:1])c2ccccc21
CCCSCC(=O)[C@@H]1CCOC2(CCC2)C1 CCCSC[*:1] O=C([C@@H]1CCOC2(CCC2)C1)[*:1]
CCCSCC(=O)[C@@H]1CCOC2(CCC2)C1 CCC[*:1] O=C(CS[*:1])[C@@H]1CCOC2(CCC2)C1
CCCSCC(=O)[C@@H]1CCOC2(CCC2)C1 CCCS[*:1] O=C(C[*:1])[C@@H]1CCOC2(CCC2)C1
N#C[C@@H](Nc1cccc(F)c1)c1cncn1C1CC1 C1CC1[*:1] N#C[C@@H](Nc1cccc(F)c1)c1cncn1[*:1]
Cc1cc(NC(=O)N(C)CCC(F)(F)F)c2ncccc2c1 FC(F)(F)C[*:1] Cc1cc(NC(=O)N(C)C[*:1])c2ncccc2c1
Cc1cc(NC(=O)N(C)CCC(F)(F)F)c2ncccc2c1 FC(F)(F)[*:1] Cc1cc(NC(=O)N(C)CC[*:1])c2ncccc2c1
Cc1cc(NC(=O)N(C)CCC(F)(F)F)c2ncccc2c1 FC(F)(F)CC[*:1] Cc1cc(NC(=O)N(C)[*:1])c2ncccc2c1
C/C=C/C1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O CC=C[*:1] CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(=C2C)[*:1])C1(C)C
C/C=C/C1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O CC(C)=C[*:1] C/C=C/C1C(=O)C[C@H](OC(=O)[C@@H]2[C@@H](C2(C)C)[*:1])C=1C
O=C(Cc1ccc[nH]1)NCCC(c1ccccc1)c1ccccc1 c1c[nH]c(c1)C[*:1] O=C(NCCC(c1ccccc1)c1ccccc1)[*:1]
O=C(Cc1ccc[nH]1)NCCC(c1ccccc1)c1ccccc1 c1c[nH]c(c1)[*:1] O=C(C[*:1])NCCC(c1ccccc1)c1ccccc1
O=C(Cc1ccc[nH]1)NCCC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc[nH]1)NCCC(c1ccccc1)[*:1]
CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 C1CC1[*:1] CNS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 O=C(N[*:1])C1CC1 CNS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 CNS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)NC(=O)C1CC1)c1cccc(c1)[*:1]
O=C(N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ncccn1 c1csc(c1)[*:1] O=C(N[C@@H](c1ccc2CCCCc2c1)[*:1])c1ncccn1
O=C(N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ncccn1 c1cnc(nc1)[*:1] O=C(N[C@@H](c1ccc2CCCCc2c1)c1cccs1)[*:1]
CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c1C Clc1ccc(cc1)[*:1] CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])c1C
CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c1C CCn1c(C)cc(c1C)[*:1] C[C@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc(Cl)cc1
CCN(CC(=O)NC(C)C)Cc1cc(NN)cc[nH+]1 CC(C)[*:1] CCN(CC(=O)N[*:1])Cc1cc(cc[nH+]1)NN
CCN(CC(=O)NC(C)C)Cc1cc(NN)cc[nH+]1 CC(C)NC(=O)[*:1] CCN(Cc1cc(cc[nH+]1)NN)C[*:1]
Cc1ccc2nc(COc3cccc(C(=O)N(C)[C@@H](C)c4cccnc4)c3)cn2c1 Cc1ccc2nc(cn2c1)[*:1] C[C@@H](c1cccnc1)N(C)C(=O)c1cccc(c1)OC[*:1]
Cc1ccc2nc(COc3cccc(C(=O)N(C)[C@@H](C)c4cccnc4)c3)cn2c1 c1cncc(c1)[*:1] Cc1ccc2nc(cn2c1)COc1cccc(c1)C(=O)N(C)[C@@H](C)[*:1]
O=C(NCCc1ccc[nH]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 c1c[nH]c(c1)C[*:1] O=C(NC[*:1])[C@@H]1CCC[C@@H](C1)C(F)(F)F
O=C(NCCc1ccc[nH]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 c1c[nH]c(c1)[*:1] O=C(NCC[*:1])[C@@H]1CCC[C@@H](C1)C(F)(F)F
O=C(NCCc1ccc[nH]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCCc1ccc[nH]1)[C@@H]1CCC[C@H](C1)[*:1]
COC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CC(C)C CC(C)[*:1] COC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C[*:1]
COC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CC(C)C COC(=O)[C@H](C)[*:1] CC(C)Cn1c(nc2cc(Cl)ccc2c1=O)S[*:1]
COC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CC(C)C COC(=O)[C@H](C)S[*:1] CC(C)Cn1c(nc2cc(Cl)ccc2c1=O)[*:1]
COC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CC(C)C CC(C)C[*:1] COC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1[*:1]
COC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CC(C)C COC(=O)[*:1] CC(C)Cn1c(nc2cc(Cl)ccc2c1=O)S[C@@H](C)[*:1]
CCC[C@H]1CN(c2cccc(C(=O)OC)n2)CCO1 CCC[*:1] COC(=O)c1cccc(n1)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(c2cccc(C(=O)OC)n2)CCO1 COC(=O)[*:1] CCC[C@H]1CN(CCO1)c1cccc(n1)[*:1]
CN(c1cccc(N)c1)S(=O)(=O)c1ccc(CC#N)cc1 Nc1cccc(c1)[*:1] CN(S(=O)(=O)c1ccc(cc1)CC#N)[*:1]
CN(c1cccc(N)c1)S(=O)(=O)c1ccc(CC#N)cc1 N#CC[*:1] CN(c1cccc(N)c1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)N2CCC(NC(=O)N3CC[C@H](C)C[C@@H]3C)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCN(C(=O)NC2CCN(CC2)C(=O)[*:1])[C@@H](C)C1
CCn1c(CN2CC[NH+](CCOC(C)C)CC2)nc2c(F)cccc21 CC(C)OC[*:1] CCn1c(CN2CC[NH+](CC2)C[*:1])nc2c(F)cccc21
CCn1c(CN2CC[NH+](CCOC(C)C)CC2)nc2c(F)cccc21 CC(C)O[*:1] CCn1c(CN2CC[NH+](CC2)CC[*:1])nc2c(F)cccc21
CCn1c(CN2CC[NH+](CCOC(C)C)CC2)nc2c(F)cccc21 CC(C)OCC[*:1] CCn1c(CN2CC[NH+](CC2)[*:1])nc2c(F)cccc21
CCn1c(CN2CC[NH+](CCOC(C)C)CC2)nc2c(F)cccc21 CC(C)[*:1] CCn1c(CN2CC[NH+](CCO[*:1])CC2)nc2c(F)cccc21
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OCC(N)=O)cc2)CC(O)=N3)cc1 NC(=O)C[*:1] COc1ccc(cc1)-n1cc(C(=O)[O-])c2N=C(O)C[C@@H](c3ccc(cc3)O[*:1])c21
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OCC(N)=O)cc2)CC(O)=N3)cc1 O=C([O-])[*:1] COc1ccc(cc1)-n1cc(c2N=C(O)C[C@@H](c3ccc(cc3)OCC(N)=O)c21)[*:1]
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OCC(N)=O)cc2)CC(O)=N3)cc1 NC(=O)CO[*:1] COc1ccc(cc1)-n1cc(C(=O)[O-])c2N=C(O)C[C@@H](c3ccc(cc3)[*:1])c21
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OCC(N)=O)cc2)CC(O)=N3)cc1 NC(=O)[*:1] COc1ccc(cc1)-n1cc(C(=O)[O-])c2N=C(O)C[C@@H](c3ccc(cc3)OC[*:1])c21
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OCC(N)=O)cc2)CC(O)=N3)cc1 COc1ccc(cc1)[*:1] NC(=O)COc1ccc(cc1)[C@@H]1CC(O)=Nc2c(cn(c21)[*:1])C(=O)[O-]
CS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccccc2C(F)(F)F)C1 FC(F)(F)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C(=O)N/N=C/c1ccccc1[*:1]
[NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H](C(=O)[O-])C2CCCCC2)O1 O=C([O-])[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)N[C@H](C1CCCCC1)[*:1]
[NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H](C(=O)[O-])C2CCCCC2)O1 C1CCC(CC1)[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)N[C@H](C(=O)[O-])[*:1]
CCC(C)(C)C(=O)N1CCCC[C@H]1C[C@@H](C)O C[C@@H](O)C[*:1] CCC(C)(C)C(=O)N1CCCC[C@@H]1[*:1]
CCC(C)(C)C(=O)N1CCCC[C@H]1C[C@@H](C)O CCC(C)(C)[*:1] C[C@@H](O)C[C@@H]1CCCCN1C(=O)[*:1]
CCC(C)(C)C(=O)N1CCCC[C@H]1C[C@@H](C)O C[C@@H](O)[*:1] CCC(C)(C)C(=O)N1CCCC[C@H]1C[*:1]
CCCN(CC1CC1)C(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CC1[*:1] CCCN(C[*:1])C(=O)[C@H](C)N1CCN(CC1)C(=O)[C@@H]1CCCO1
CCCN(CC1CC1)C(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CC1C[*:1] CCCN(C(=O)[C@H](C)N1CCN(CC1)C(=O)[C@@H]1CCCO1)[*:1]
CCCN(CC1CC1)C(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] CCCN(CC1CC1)C(=O)[C@H](C)N1CCN(CC1)C(=O)[*:1]
CCCN(CC1CC1)C(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 CCC[*:1] C[C@@H](C(=O)N(CC1CC1)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(C)n(C4CCCCC4)c3=S)CC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cn1nc(C)n(c1=S)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(C)n(C4CCCCC4)c3=S)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(CN2CCN(CC2)S(=O)(=O)[*:1])c(=S)n1C1CCCCC1
CC(C)N(C(=O)c1cc(NC(=O)c2ccc(F)cc2)c(=O)n(C)c1)C(C)C CC(C)[*:1] CC(C)N(C(=O)c1cc(NC(=O)c2ccc(F)cc2)c(=O)n(C)c1)[*:1]
CC(C)N(C(=O)c1cc(NC(=O)c2ccc(F)cc2)c(=O)n(C)c1)C(C)C Fc1ccc(cc1)[*:1] CC(C)N(C(=O)c1cc(NC(=O)[*:1])c(=O)n(C)c1)C(C)C
CC(C)N(C(=O)c1cc(NC(=O)c2ccc(F)cc2)c(=O)n(C)c1)C(C)C CC(C)N(C(=O)[*:1])C(C)C Cn1cc(cc(NC(=O)c2ccc(F)cc2)c1=O)[*:1]
C=CCNC(=O)CN1CCN(c2ccc(OC)cc2)C1=O C=CC[*:1] COc1ccc(cc1)N1CCN(CC(=O)N[*:1])C1=O
C=CCNC(=O)CN1CCN(c2ccc(OC)cc2)C1=O C=CCNC(=O)[*:1] COc1ccc(cc1)N1CCN(C[*:1])C1=O
C=CCNC(=O)CN1CCN(c2ccc(OC)cc2)C1=O C=CCNC(=O)C[*:1] COc1ccc(cc1)N1CCN(C1=O)[*:1]
O=C(C1CCN(c2cnccn2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 c1cnc(cn1)[*:1] O=C(C1CCN(CC1)[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
O=C(C1CCN(c2cnccn2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C(C1CCN(CC1)c1cnccn1)N1CCc2ccc(cc21)[*:1]
CC[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)[*:1]
CC[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)C(=O)c1c(C)nn(c1C)[*:1])c1ccc(Cl)cc1
CCC[C@@H](C)C(=O)NNc1cccnc1Cl CCC[C@@H](C)[*:1] O=C(NNc1cccnc1Cl)[*:1]
CCC[C@@H](C)C(=O)NNc1cccnc1Cl CCC[*:1] C[C@@H](C(=O)NNc1cccnc1Cl)[*:1]
N#Cc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 Clc1cccc(c1)[*:1] N#Cc1ccc(cc1)CNC(=O)c1cc(on1)[*:1]
N#Cc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1cc(on1)-c1cccc(Cl)c1
CS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 CS(=O)(=O)[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1ccc(cc1)C[NH+]1CCCC1
C[C@H](NC(=O)N1CCOCC[C@@H]1C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)N1CCOCC[C@@H]1C)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c(=O)n1C Cc1ccc(c(=O)n1C)[*:1] O=C(N1CCO[C@@H](C1)c1nc(no1)-c1cccc(c1)C(F)(F)F)[*:1]
Cc1ccc(C(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c(=O)n1C FC(F)(F)[*:1] Cc1ccc(C(=O)N2CCO[C@@H](C2)c2nc(no2)-c2cccc(c2)[*:1])c(=O)n1C
Cc1ccc(C(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c(=O)n1C FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(C(=O)N2CCO[C@@H](C2)c2nc(no2)[*:1])c(=O)n1C
NS(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 NS(=O)(=O)N[*:1] FC(F)(F)[C@H]1CCC[C@@H](C1)[*:1]
NS(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] NS(=O)(=O)N[C@H]1CCC[C@H](C1)[*:1]
Cc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1C O=[N+]([O-])[*:1] Cc1ccc(c(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1C)[*:1]
CS(=O)(=O)CC1(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 CS(=O)(=O)C[*:1] N#C[C@H](NC(=O)CC1(CC1)[*:1])c1ccc(Cl)cc1
CS(=O)(=O)CC1(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 CS(=O)(=O)[*:1] N#C[C@H](NC(=O)CC1(CC1)C[*:1])c1ccc(Cl)cc1
CS(=O)(=O)CC1(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CS(=O)(=O)CC1(CC1)CC(=O)N[C@@H](C#N)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](Cn2cc(C(=O)N3CCCC3)nn2)C1 O=C(N1CCCC1)[*:1] Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](C1)Cn1cc(nn1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](Cn2cc(C(=O)N3CCCC3)nn2)C1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)N1CCC[C@@H](C1)Cn1cc(nn1)C(=O)N1CCCC1)[*:1]
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 O=[N+]([O-])[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1ccccc1
C[NH+](C)[C@@H](CNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)Cn1ccc(n1)C(F)(F)F)[*:1]
C[NH+](C)[C@@H](CNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccco1 FC(F)(F)[*:1] C[NH+](C)[C@@H](CNC(=O)Cn1ccc(n1)[*:1])c1ccco1
CCCOc1ncnc(NC[C@H]2CCCC[C@@H]2O)c1N CCC[*:1] Nc1c(ncnc1O[*:1])NC[C@H]1CCCC[C@@H]1O
CCCOc1ncnc(NC[C@H]2CCCC[C@@H]2O)c1N CCCO[*:1] Nc1c(ncnc1[*:1])NC[C@H]1CCCC[C@@H]1O
Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O c1ccc(cc1)C[*:1] Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N[C@@H](C)C[*:1])c1=O
Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O c1ccc(cc1)[*:1] Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N[C@@H](C)CC[*:1])c1=O
Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O Cc1cc(F)ccc1[*:1] C[C@@H](CCc1ccccc1)NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O C[C@@H](CCc1ccccc1)[*:1] Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O c1ccc(cc1)CC[*:1] Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N[C@@H](C)[*:1])c1=O
CCc1nn(C)cc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC CCc1nn(C)cc1[*:1] COc1ccc(cc1NC(=O)NC[*:1])[N+](=O)[O-]
CCc1nn(C)cc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC O=[N+]([O-])[*:1] CCc1nn(C)cc1CNC(=O)Nc1cc(ccc1OC)[*:1]
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NCCCO)c2)CC1 OCCC[*:1] C[NH+]1CCN(CC1)c1ccc(c(c1)N[*:1])[N+](=O)[O-]
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NCCCO)c2)CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)c1ccc(c(c1)NCCCO)[*:1]
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NCCCO)c2)CC1 OCC[*:1] C[NH+]1CCN(CC1)c1ccc(c(c1)NC[*:1])[N+](=O)[O-]
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NCCCO)c2)CC1 OCCCN[*:1] C[NH+]1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1CC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)c1nc2ccccc2n1C[*:1]
C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1CC(=O)N1CCOCC1 c1ccc(cc1)-c1ccc(cc1)[*:1] C[C@H](NC(=O)C[*:1])c1nc2ccccc2n1CC(=O)N1CCOCC1
C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1CC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 C[C@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)c1nc2ccccc2n1[*:1]
C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc2ccccc2n1CC(=O)N1CCOCC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cc1ccc(cc1)[*:1])c1nc2ccccc2n1CC(=O)N1CCOCC1
O=C(NCc1ccccc1OCC(F)(F)F)c1ccoc1 FC(F)(F)CO[*:1] O=C(NCc1ccccc1[*:1])c1ccoc1
O=C(NCc1ccccc1OCC(F)(F)F)c1ccoc1 FC(F)(F)[*:1] O=C(NCc1ccccc1OC[*:1])c1ccoc1
O=C(NCc1ccccc1OCC(F)(F)F)c1ccoc1 FC(F)(F)C[*:1] O=C(NCc1ccccc1O[*:1])c1ccoc1
O=C(NCc1ccccc1OCC(F)(F)F)c1ccoc1 c1cc(co1)[*:1] O=C(NCc1ccccc1OCC(F)(F)F)[*:1]
Cc1cncc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c1 Cc1cncc(c1)[*:1] CC(C)(C)n1nc(cc1C1CC1)C(=O)N[*:1]
Cc1cncc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c1 CC(C)(C)[*:1] Cc1cncc(c1)NC(=O)c1cc(C2CC2)n(n1)[*:1]
Cc1cncc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c1 C1CC1[*:1] Cc1cncc(c1)NC(=O)c1cc(n(n1)C(C)(C)C)[*:1]
CC[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)n1cccn1 C1CCC(CC1)[*:1] CC[C@@H](C(=O)N1CC[NH+](CC1)[*:1])n1cccn1
CC[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)n1cccn1 c1cnn(c1)[*:1] CC[C@@H](C(=O)N1CC[NH+](CC1)C1CCCCC1)[*:1]
O=Cc1ccccc1OCC(=O)NCc1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=Cc1ccccc1OCC(=O)NC[*:1]
CC(=O)Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O Fc1ccc(cc1)C[*:1] CC(=O)Nc1cnc2c(cccn2c1=O)C(=O)N[*:1]
CC(=O)Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O Fc1ccc(cc1)[*:1] CC(=O)Nc1cnc2c(cccn2c1=O)C(=O)NC[*:1]
CC(=O)Nc1cnc2c(C(=O)NCc3ccc(F)cc3)cccn2c1=O CC(=O)N[*:1] O=C(NCc1ccc(F)cc1)c1cccn2c(=O)c(cnc12)[*:1]
CCCSc1ccc(/C=C/C(=O)[O-])cc1 CCCS[*:1] O=C([O-])/C=C/c1ccc(cc1)[*:1]
CCCSc1ccc(/C=C/C(=O)[O-])cc1 O=C([O-])[*:1] CCCSc1ccc(C=C[*:1])cc1
CCCSc1ccc(/C=C/C(=O)[O-])cc1 CCC[*:1] O=C([O-])/C=C/c1ccc(cc1)S[*:1]
CCCSc1ccc(/C=C/C(=O)[O-])cc1 O=C([O-])C=C[*:1] CCCSc1ccc(cc1)[*:1]
C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)N1CCC[C@H](C(N)=O)C1 NC(=O)[*:1] C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)N1CCC[C@H](C1)[*:1]
C[NH2+][C@@H](Cc1cccc(C)c1)[C@H]1CCOC2(CCCC2)C1 Cc1cccc(c1)[*:1] C[NH2+][C@@H](C[*:1])[C@H]1CCOC2(CCCC2)C1
Cc1ccccc1-c1cnc(Oc2ccc(C(=O)NC[C@H]3CCCO3)cc2)nc1 O=C(NC[C@H]1CCCO1)[*:1] Cc1ccccc1-c1cnc(nc1)Oc1ccc(cc1)[*:1]
Cc1ccccc1-c1cnc(Oc2ccc(C(=O)NC[C@H]3CCCO3)cc2)nc1 Cc1ccccc1[*:1] O=C(NC[C@H]1CCCO1)c1ccc(cc1)Oc1ncc(cn1)[*:1]
C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)C[*:1]
C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1ccc(Cl)s1 C1CCC(C1)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1ccc(Cl)s1
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc2ccccc2n1 c1ncn(n1)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)c1ccc2ccccc2n1
C[C@@H]1C[NH+]=C(N2CCN(CC(=O)N(C)Cc3ccc(F)cc3)CC2)S1 Fc1ccc(cc1)C[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)CC(=O)N(C)[*:1]
C[C@@H]1C[NH+]=C(N2CCN(CC(=O)N(C)Cc3ccc(F)cc3)CC2)S1 Fc1ccc(cc1)[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)CC(=O)N(C)C[*:1]
CCc1ccc(S(=O)(=O)Oc2ccc(C#N)cc2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] CCc1ccc(s1)S(=O)(=O)Oc1ccc(C#N)cc1[*:1]
CCc1ccc(S(=O)(=O)Oc2ccc(C#N)cc2[N+](=O)[O-])s1 CCc1ccc(s1)[*:1] N#Cc1ccc(OS(=O)(=O)[*:1])c(c1)[N+](=O)[O-]
Cn1cncc1-c1nc(=O)c(-c2ccc(Cl)cc2)c([O-])[nH]1 Cn1cncc1[*:1] O=c1nc([nH]c([O-])c1-c1ccc(Cl)cc1)[*:1]
Cn1cncc1-c1nc(=O)c(-c2ccc(Cl)cc2)c([O-])[nH]1 Clc1ccc(cc1)[*:1] Cn1cncc1-c1nc(=O)c(c([O-])[nH]1)[*:1]
Cc1cc(Cl)ccc1OC(=O)CCc1nc2ccccc2c(=O)[nH]1 Cc1cc(Cl)ccc1[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)O[*:1]
COc1ccc([N+](=O)[O-])cc1OC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 Fc1ccccc1[*:1] COc1ccc(cc1OC(=O)c1cnn(c1-n1cccc1)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1OC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 c1ccn(c1)[*:1] COc1ccc(cc1OC(=O)c1cnn(-c2ccccc2F)c1[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1OC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 O=[N+]([O-])[*:1] COc1ccc(cc1OC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)[*:1]
COc1cccc2cc(-c3nnc(Nc4ccccc4)s3)c(=O)oc12 c1ccc(cc1)N[*:1] COc1cccc2cc(-c3nnc(s3)[*:1])c(=O)oc12
COc1cccc2cc(-c3nnc(Nc4ccccc4)s3)c(=O)oc12 c1ccc(cc1)[*:1] COc1cccc2cc(-c3nnc(N[*:1])s3)c(=O)oc12
N#CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1 N#CC[*:1] O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(cc1)[*:1]
N#CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] N#CCc1ccc(cc1)NC(=O)CCNS(=O)(=O)[*:1]
Cc1ccc(-c2nc(NC(=O)c3cnc([C@H]4CCCO4)s3)n[nH]2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1n[nH]c(n1)[*:1])c1cnc(s1)[C@H]1CCCO1
O=[N+]([O-])c1ccc(F)cc1CNn1cccc1 O=[N+]([O-])[*:1] Fc1ccc(c(c1)CNn1cccc1)[*:1]
O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)OCc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)OCc1nnnn1[*:1]
C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1(Cl)Cl Clc1ccccc1[*:1] C[C@]1(CC1(Cl)Cl)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC[C@@H](CSC)N(C)C(=O)NCc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](CSC)N(C)C(=O)NCc1nc(cs1)[*:1]
CC[C@@H](CSC)N(C)C(=O)NCc1nc(C(F)(F)F)cs1 CSC[*:1] CC[C@@H](N(C)C(=O)NCc1nc(cs1)C(F)(F)F)[*:1]
CC/[NH+]=C(/NCCc1cn2cccc(C)c2[nH+]1)NC1CC1 C1CC1[*:1] CC/[NH+]=C(/NCCc1cn2cccc(C)c2[nH+]1)N[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H](c2ccccc2)C(C)(C)C)c1 CNC(=O)[*:1] CC(C)(C)[C@H](NC(=O)Nc1cc(ccc1Cl)[*:1])c1ccccc1
CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H](c2ccccc2)C(C)(C)C)c1 CC(C)(C)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)N[C@H](c1ccccc1)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H](c2ccccc2)C(C)(C)C)c1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)N[C@H](C(C)(C)C)[*:1]
Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccc2OCCOc2c1
Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1c[nH]c2ccccc12 c1cc2OCCOc2cc1[*:1] Cn1c(nnc1-c1c[nH]c2ccccc12)SCC(=O)N[*:1]
CC[C@]1(c2ccc(OC[C@@H]3CCCO3)cc2)Nc2ccccc2C(=O)N1Cc1ccco1 c1coc(c1)[*:1] CC[C@@]1(Nc2ccccc2C(=O)N1C[*:1])c1ccc(cc1)OC[C@@H]1CCCO1
CC[C@]1(c2ccc(OC[C@@H]3CCCO3)cc2)Nc2ccccc2C(=O)N1Cc1ccco1 C1CO[C@@H](C1)[*:1] CC[C@@]1(Nc2ccccc2C(=O)N1Cc1ccco1)c1ccc(cc1)OC[*:1]
CC[C@]1(c2ccc(OC[C@@H]3CCCO3)cc2)Nc2ccccc2C(=O)N1Cc1ccco1 C1CO[C@@H](C1)CO[*:1] CC[C@@]1(Nc2ccccc2C(=O)N1Cc1ccco1)c1ccc(cc1)[*:1]
CC[C@]1(c2ccc(OC[C@@H]3CCCO3)cc2)Nc2ccccc2C(=O)N1Cc1ccco1 c1coc(c1)C[*:1] CC[C@@]1(Nc2ccccc2C(=O)N1[*:1])c1ccc(cc1)OC[C@@H]1CCCO1
CC[C@]1(c2ccc(OC[C@@H]3CCCO3)cc2)Nc2ccccc2C(=O)N1Cc1ccco1 C1CO[C@@H](C1)C[*:1] CC[C@@]1(Nc2ccccc2C(=O)N1Cc1ccco1)c1ccc(cc1)O[*:1]
Cc1cc(C)c(S(=O)(=O)NCCn2nc(-n3cccn3)ccc2=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=c1ccc(nn1CCNS(=O)(=O)[*:1])-n1cccn1
Cc1cc(C)c(S(=O)(=O)NCCn2nc(-n3cccn3)ccc2=O)c(C)c1 c1cnn(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCCn1nc(ccc1=O)[*:1]
Cc1c(C(=O)NCCc2ncnn2C)nnn1-c1ccc(F)cc1 Cn1ncnc1CC[*:1] Cc1c(nnn1-c1ccc(F)cc1)C(=O)N[*:1]
Cc1c(C(=O)NCCc2ncnn2C)nnn1-c1ccc(F)cc1 Cn1ncnc1[*:1] Cc1c(nnn1-c1ccc(F)cc1)C(=O)NCC[*:1]
Cc1c(C(=O)NCCc2ncnn2C)nnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)NCCc1ncnn1C
Cc1c(C(=O)NCCc2ncnn2C)nnn1-c1ccc(F)cc1 Cn1ncnc1C[*:1] Cc1c(nnn1-c1ccc(F)cc1)C(=O)NC[*:1]
COC[C@@H](C)NC(=O)c1sc2ncnc(N3CCCCCCC3)c2c1C COC[*:1] Cc1c(sc2ncnc(c12)N1CCCCCCC1)C(=O)N[C@H](C)[*:1]
COC[C@@H](C)NC(=O)c1sc2ncnc(N3CCCCCCC3)c2c1C COC[C@@H](C)NC(=O)[*:1] Cc1c(sc2ncnc(c12)N1CCCCCCC1)[*:1]
COC[C@@H](C)NC(=O)c1sc2ncnc(N3CCCCCCC3)c2c1C C1CCCN(CCC1)[*:1] COC[C@@H](C)NC(=O)c1sc2ncnc(c2c1C)[*:1]
Cc1cc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c(C)n1-c1ccnn1C(C)C CC(C)[*:1] Cc1cc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)[*:1])c(C)n1-c1ccnn1C(C)C
Cc1cc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c(C)n1-c1ccnn1C(C)C CC(C)n1nccc1[*:1] Cc1cc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c(C)n1[*:1]
Cc1cc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c(C)n1-c1ccnn1C(C)C O=c1[nH]c(nc2ccccc12)[*:1] Cc1cc(/C=C/C(=O)N(C[*:1])C(C)C)c(C)n1-c1ccnn1C(C)C
Cc1cc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c(C)n1-c1ccnn1C(C)C CC(C)[*:1] Cc1cc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c(C)n1-c1ccnn1[*:1]
COc1ccc([C@@H]2CC(=O)N=C(SCC(=O)Nc3cc(Cl)ccc3OC)[C@H]2C#N)cc1 COc1ccc(Cl)cc1[*:1] COc1ccc(cc1)[C@@H]1CC(=O)N=C(SCC(=O)N[*:1])[C@H]1C#N
COc1ccc([C@@H]2CC(=O)N=C(SCC(=O)Nc3cc(Cl)ccc3OC)[C@H]2C#N)cc1 COc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)CSC1=NC(=O)C[C@H]([C@@H]1C#N)[*:1]
COc1cc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)cc(OC)c1O CS(=O)(=O)c1snnc1[*:1] COc1cc(cc(OC)c1O)CN1CCC[C@@H](C1)[*:1]
COc1cc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)cc(OC)c1O CS(=O)(=O)[*:1] COc1cc(cc(OC)c1O)CN1CCC[C@H](C1)c1nnsc1[*:1]
C=CCn1c2cc(C)sc2c2cnn(CC(=O)NCCc3nc4ccccc4[nH]3)c(=O)c21 c1ccc2[nH]c(C[*:1])nc2c1 C=CCn1c2cc(C)sc2c2cnn(CC(=O)NC[*:1])c(=O)c21
C=CCn1c2cc(C)sc2c2cnn(CC(=O)NCCc3nc4ccccc4[nH]3)c(=O)c21 c1ccc2[nH]c(nc2c1)[*:1] C=CCn1c2cc(C)sc2c2cnn(CC(=O)NCC[*:1])c(=O)c21
C=CCn1c2cc(C)sc2c2cnn(CC(=O)NCCc3nc4ccccc4[nH]3)c(=O)c21 C=CC[*:1] Cc1cc2c(s1)c1cnn(CC(=O)NCCc3nc4ccccc4[nH]3)c(=O)c1n2[*:1]
C[C@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1c(F)cccc1Cl C1CC1[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1])c1c(F)cccc1Cl
C[C@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)C1CC1)[*:1]
COC[C@H](C)NC(=O)NCc1ncc(-c2ccccc2)o1 COC[C@H](C)[*:1] O=C(NCc1ncc(o1)-c1ccccc1)N[*:1]
COC[C@H](C)NC(=O)NCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] COC[C@H](C)NC(=O)NCc1ncc(o1)[*:1]
COC[C@H](C)NC(=O)NCc1ncc(-c2ccccc2)o1 COC[*:1] C[C@H](NC(=O)NCc1ncc(o1)-c1ccccc1)[*:1]
CCCCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCn3c(C)nnc32)C1(C)C CCCC[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N[C@@H]1C[C@@H](O[*:1])C1(C)C
CCCCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCn3c(C)nnc32)C1(C)C CCCCO[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N[C@@H]1C[C@H](C1(C)C)[*:1]
CCCCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCn3c(C)nnc32)C1(C)C CCC[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N[C@@H]1C[C@@H](OC[*:1])C1(C)C
CCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(CC)c2)C1=O CCC[*:1] CCc1cccc(c1)NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CCn1c(=O)c(N2CCC(C(=O)NCCc3ccco3)CC2)nc2ccccc21 c1coc(c1)C[*:1] CCn1c(=O)c(nc2ccccc21)N1CCC(CC1)C(=O)NC[*:1]
CCn1c(=O)c(N2CCC(C(=O)NCCc3ccco3)CC2)nc2ccccc21 c1coc(c1)CC[*:1] CCn1c(=O)c(nc2ccccc21)N1CCC(CC1)C(=O)N[*:1]
CCn1c(=O)c(N2CCC(C(=O)NCCc3ccco3)CC2)nc2ccccc21 c1coc(c1)[*:1] CCn1c(=O)c(nc2ccccc21)N1CCC(CC1)C(=O)NCC[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 Cc1cccc(C)c1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C1=[NH+]C[C@@H](C)S1
COc1ccccc1-c1cc(C(F)(F)F)nc(S[C@@H](C)C(=O)Nc2cccnc2)n1 FC(F)(F)[*:1] COc1ccccc1-c1cc(nc(n1)S[C@@H](C)C(=O)Nc1cccnc1)[*:1]
COc1ccccc1-c1cc(C(F)(F)F)nc(S[C@@H](C)C(=O)Nc2cccnc2)n1 c1cncc(c1)[*:1] COc1ccccc1-c1cc(nc(n1)S[C@@H](C)C(=O)N[*:1])C(F)(F)F
COc1ccccc1-c1cc(C(F)(F)F)nc(S[C@@H](C)C(=O)Nc2cccnc2)n1 O=C(Nc1cccnc1)[*:1] COc1ccccc1-c1cc(nc(n1)S[C@@H](C)[*:1])C(F)(F)F
COc1ccccc1-c1cc(C(F)(F)F)nc(S[C@@H](C)C(=O)Nc2cccnc2)n1 COc1ccccc1[*:1] C[C@H](Sc1nc(cc(n1)[*:1])C(F)(F)F)C(=O)Nc1cccnc1
Cc1cc(C)n2c(CNCC(F)(F)F)nnc2n1 FC(F)(F)CN[*:1] Cc1cc(C)n2c(C[*:1])nnc2n1
Cc1cc(C)n2c(CNCC(F)(F)F)nnc2n1 FC(F)(F)C[*:1] Cc1cc(C)n2c(CN[*:1])nnc2n1
Cc1cc(C)n2c(CNCC(F)(F)F)nnc2n1 FC(F)(F)[*:1] Cc1cc(C)n2c(CNC[*:1])nnc2n1
O=C(C[C@@H]1CCCCO1)N[C@]1(C(=O)[O-])CCOC1 C1CC[C@H](OC1)[*:1] O=C(C[*:1])N[C@@]1(CCOC1)C(=O)[O-]
O=C(C[C@@H]1CCCCO1)N[C@]1(C(=O)[O-])CCOC1 O=C([O-])[*:1] O=C(C[C@@H]1CCCCO1)N[C@@]1(CCOC1)[*:1]
CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCN(c2[nH+]ccn2C)CC1 c1ccc(cc1)C[*:1] CCN(C(=O)[C@@H](C)N1CCN(CC1)c1[nH+]ccn1C)[*:1]
CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCN(c2[nH+]ccn2C)CC1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)[C@@H](C)N1CCN(CC1)c1[nH+]ccn1C
CC(C)(C)n1nnn(CN(Cc2cccs2)CC(F)(F)F)c1=S c1csc(c1)C[*:1] CC(C)(C)n1nnn(CN(CC(F)(F)F)[*:1])c1=S
CC(C)(C)n1nnn(CN(Cc2cccs2)CC(F)(F)F)c1=S c1csc(c1)[*:1] CC(C)(C)n1nnn(CN(CC(F)(F)F)C[*:1])c1=S
CC(C)(C)n1nnn(CN(Cc2cccs2)CC(F)(F)F)c1=S CC(C)(C)[*:1] FC(F)(F)CN(Cc1cccs1)Cn1nnn(c1=S)[*:1]
CC(C)(C)n1nnn(CN(Cc2cccs2)CC(F)(F)F)c1=S FC(F)(F)C[*:1] CC(C)(C)n1nnn(CN(Cc2cccs2)[*:1])c1=S
CC(C)(C)n1nnn(CN(Cc2cccs2)CC(F)(F)F)c1=S FC(F)(F)[*:1] CC(C)(C)n1nnn(CN(Cc2cccs2)C[*:1])c1=S
COCC[C@H](C)NC(=O)Nc1ccc(-c2cc[nH]n2)cc1 COC[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccc(cc1)-c1cc[nH]n1
COCC[C@H](C)NC(=O)Nc1ccc(-c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] COCC[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
COCC[C@H](C)NC(=O)Nc1ccc(-c2cc[nH]n2)cc1 COCC[C@H](C)[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)N[*:1]
COCC[C@H](C)NC(=O)Nc1ccc(-c2cc[nH]n2)cc1 COCC[*:1] C[C@H](NC(=O)Nc1ccc(cc1)-c1cc[nH]n1)[*:1]
Cc1c(CC(=O)NCCC(C)C)c(=O)oc2cc(O)ccc12 CC(C)[*:1] Cc1c(CC(=O)NCC[*:1])c(=O)oc2cc(O)ccc12
Cc1c(CC(=O)NCCC(C)C)c(=O)oc2cc(O)ccc12 CC(C)C[*:1] Cc1c(CC(=O)NC[*:1])c(=O)oc2cc(O)ccc12
Cc1c(CC(=O)NCCC(C)C)c(=O)oc2cc(O)ccc12 CC(C)CC[*:1] Cc1c(CC(=O)N[*:1])c(=O)oc2cc(O)ccc12
COC[C@H]1CCCN(C(=O)c2ccc(N3CCCCCCC3)[nH+]c2)C1 C1CCCN(CCC1)[*:1] COC[C@H]1CCCN(C1)C(=O)c1ccc([nH+]c1)[*:1]
COC[C@H]1CCCN(C(=O)c2ccc(N3CCCCCCC3)[nH+]c2)C1 COC[*:1] O=C(c1ccc([nH+]c1)N1CCCCCCC1)N1CCC[C@@H](C1)[*:1]
CC[C@H](CC(=O)N1CCc2nn(C)c(=O)cc2C1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](CC(=O)N1CCc2nn(C)c(=O)cc2C1)[*:1]
CC(C)[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)N1CCCC1 CC(C)[*:1] C[C@H]1CCCC[C@@H]1[NH2+][C@H](C(=O)N1CCCC1)[*:1]
Cc1nc2ccccc2nc1SCc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc2ccccc2nc1SCc1coc(n1)[*:1]
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Nc2cc(C)cc(F)c2)C1 O=C([O-])[*:1] CO[C@H]1C[C@@H](N(C1)C(=O)Nc1cc(C)cc(F)c1)[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(NC(=O)NC(C)C)c1 CC(C)NC(=O)N[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(c1)[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(NC(=O)NC(C)C)c1 CC(C)[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(c1)NC(=O)N[*:1]
N#C[C@@H]1COCCN1CCC(=O)Nc1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1COCCN1CCC(=O)Nc1ccccc1C(=O)[*:1]
N#C[C@@H]1COCCN1CCC(=O)Nc1ccccc1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] N#C[C@@H]1COCCN1CCC(=O)Nc1ccccc1[*:1]
C[C@H](CNC(=O)N[C@@H](CO)c1ccccc1F)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](CNC(=O)N[C@@H](CO)c1ccccc1F)[*:1]
C[C@H](CNC(=O)N[C@@H](CO)c1ccccc1F)Cc1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)N[C@@H](CO)c1ccccc1F)C[*:1]
C[C@H](CNC(=O)N[C@@H](CO)c1ccccc1F)Cc1cccs1 Fc1ccccc1[*:1] C[C@H](CNC(=O)N[C@@H](CO)[*:1])Cc1cccs1
N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 FC(F)[*:1] N#Cc1ccc(cc1)C(=O)N1CCO[C@H](C1)c1cccc(c1)O[*:1]
N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N1CCO[C@H](C1)c1cccc(c1)OC(F)F)[*:1]
N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 FC(F)O[*:1] N#Cc1ccc(cc1)C(=O)N1CCO[C@H](C1)c1cccc(c1)[*:1]
C[C@@H](OC(=O)c1ccsc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 c1cc(cs1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)N1CC(=O)Nc2cc(ccc21)C(F)(F)F
C[C@@H](OC(=O)c1ccsc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 FC(F)(F)[*:1] C[C@@H](OC(=O)c1ccsc1)C(=O)N1CC(=O)Nc2cc(ccc21)[*:1]
C[C@@H](OC(=O)c1ccsc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 O=C(O[*:1])c1ccsc1 C[C@@H](C(=O)N1CC(=O)Nc2cc(ccc21)C(F)(F)F)[*:1]
CCN1CC2(CCC1=O)CCN(C(=O)C[C@H]([NH3+])c1ccccc1)CC2 c1ccc(cc1)[*:1] CCN1CC2(CCC1=O)CCN(CC2)C(=O)C[C@H]([NH3+])[*:1]
C[C@H](CCc1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])[NH+]1CCN(CC1)S(=O)(=O)c1ccccc1
C[C@H](CCc1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)CC[*:1] C[C@H]([NH+]1CCN(CC1)S(=O)(=O)c1ccccc1)[*:1]
C[C@H](CCc1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](CCc1ccccc1)[NH+]1CCN(CC1)S(=O)(=O)[*:1]
C[C@H](CCc1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])[NH+]1CCN(CC1)S(=O)(=O)c1ccccc1
CCc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1N c1ccc(cc1)[*:1] CCc1nnc(SCC(=O)N(c2ccccc2)[*:1])n1N
CCc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1N CCc1nnc(n1N)[*:1] O=C(CS[*:1])N(c1ccccc1)c1ccccc1
Cc1cc(C(=O)NC[C@@H](O)c2cccc(OC(F)F)c2)c(C)n1C1CC1 FC(F)[*:1] Cc1cc(C(=O)NC[C@@H](O)c2cccc(c2)O[*:1])c(C)n1C1CC1
Cc1cc(C(=O)NC[C@@H](O)c2cccc(OC(F)F)c2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)NC[C@@H](O)c2cccc(c2)OC(F)F)c(C)n1[*:1]
Cc1cc(C(=O)NC[C@@H](O)c2cccc(OC(F)F)c2)c(C)n1C1CC1 FC(F)O[*:1] Cc1cc(C(=O)NC[C@@H](O)c2cccc(c2)[*:1])c(C)n1C1CC1
CCN(C(=O)c1ccc(C(C)C)cc1)c1cccnc1 CC(C)[*:1] CCN(C(=O)c1ccc(cc1)[*:1])c1cccnc1
CCN(C(=O)c1ccc(C(C)C)cc1)c1cccnc1 c1cncc(c1)[*:1] CCN(C(=O)c1ccc(cc1)C(C)C)[*:1]
Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccccc1OCC1CC1 C1CC1[*:1] Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccccc1OC[*:1]
Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccccc1OCC1CC1 C1CC1CO[*:1] Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccccc1[*:1]
Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccccc1OCC1CC1 C1CC1C[*:1] Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccccc1O[*:1]
CCC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C CCC(=O)[*:1] Cc1cc(c(F)cc1[*:1])N1CCN(CC1)C(=O)c1ccco1
CCC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C c1coc(c1)[*:1] CCC(=O)c1cc(F)c(cc1C)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2cc(C(C)=O)c[nH]2)C[C@H]1C COC(=O)[*:1] CC(=O)c1c[nH]c(c1)C(=O)N1C[C@@H](C)[C@@H](C1)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2cc(C(C)=O)c[nH]2)C[C@H]1C CC(=O)[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)c1cc(c[nH]1)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)cc2C)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CC(=O)Nc2ccc(Br)cc2C)C1=O)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)cc2C)C1=O Cc1cc(Br)ccc1[*:1] CC[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1
COc1ccc([C@@H]2SCCN2C(=S)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1SCCN1C(=S)N[*:1]
CCc1ccsc1C[NH2+]Cc1ccc(CC(C)C)cc1 CC(C)[*:1] CCc1ccsc1C[NH2+]Cc1ccc(cc1)C[*:1]
CCc1ccsc1C[NH2+]Cc1ccc(CC(C)C)cc1 CC(C)C[*:1] CCc1ccsc1C[NH2+]Cc1ccc(cc1)[*:1]
Cn1cc(C(=O)Cc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] Cn1cc(C(=O)C[*:1])c2ccccc21
C=C(C)C[C@@H]([NH3+])C1(c2ccccc2)CC1 C=C(C)[*:1] [NH3+][C@H](C[*:1])C1(CC1)c1ccccc1
C=C(C)C[C@@H]([NH3+])C1(c2ccccc2)CC1 C=C(C)C[*:1] [NH3+][C@@H](C1(CC1)c1ccccc1)[*:1]
CCOc1ccc([C@@H]2C/C(=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3[O-])NN2C(C)=O)cc1 CCO[*:1] CC(=O)N1N/C(C[C@H]1c1ccc(cc1)[*:1])=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1[O-]
CCOc1ccc([C@@H]2C/C(=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3[O-])NN2C(C)=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H]1C/C(NN1C(C)=O)=C1/C(=O)N(C[*:1])C(=O)N=C1[O-]
CCOc1ccc([C@@H]2C/C(=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3[O-])NN2C(C)=O)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)[C@@H]1C/C(NN1C(C)=O)=C1/C(=O)N(C(=O)N=C1[O-])[*:1]
CCOc1ccc([C@@H]2C/C(=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3[O-])NN2C(C)=O)cc1 CCOc1ccc(cc1)[*:1] CC(=O)N1N/C(C[C@H]1[*:1])=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1[O-]
CNS(=O)(=O)c1cc(NC(=O)Cn2ccc3ccccc32)ccc1C CNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)Cn1ccc2ccccc21
O=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)[C@H]1CCCN(C1)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1/C=C/C(=O)c1ccsc1 c1cncc(c1)[*:1] Cc1nn(C)c(O[*:1])c1/C=C/C(=O)c1ccsc1
Cc1nn(C)c(Oc2cccnc2)c1/C=C/C(=O)c1ccsc1 c1cc(cs1)[*:1] Cc1nn(C)c(Oc2cccnc2)c1/C=C/C(=O)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1/C=C/C(=O)c1ccsc1 O=C(c1ccsc1)[*:1] Cc1nn(C)c(Oc2cccnc2)c1C=C[*:1]
Cc1nn(C)c(Oc2cccnc2)c1/C=C/C(=O)c1ccsc1 c1cncc(c1)O[*:1] Cc1nn(C)c(c1/C=C/C(=O)c1ccsc1)[*:1]
CCOCCN(C)C(=O)C[C@@H]1C=CCC1 CCOC[*:1] CN(C[*:1])C(=O)C[C@@H]1C=CCC1
CCOCCN(C)C(=O)C[C@@H]1C=CCC1 CCOCC[*:1] CN(C(=O)C[C@@H]1C=CCC1)[*:1]
CCOCCN(C)C(=O)C[C@@H]1C=CCC1 CCO[*:1] CN(CC[*:1])C(=O)C[C@@H]1C=CCC1
CC(C)(C)c1csc([C@H]2CCCCN2C(=O)[C@@H]2COCCO2)n1 CC(C)(C)[*:1] O=C([C@@H]1COCCO1)N1CCCC[C@@H]1c1nc(cs1)[*:1]
CC(C)(C)c1csc([C@H]2CCCCN2C(=O)[C@@H]2COCCO2)n1 C1CO[C@@H](CO1)[*:1] CC(C)(C)c1csc(n1)[C@H]1CCCCN1C(=O)[*:1]
CC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 CC(=O)[*:1] N#Cc1ccccc1S(=O)(=O)Nc1ccc(cc1)[*:1]
O=C(NN1Cc2ccccc2C1)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(NN1Cc2ccccc2C1)c1cn(nn1)[*:1]
COc1nc(C)cc(C)c1CNC(=O)Nc1cc(NC(=O)C2CC2)ccc1C O=C(N[*:1])C1CC1 COc1nc(C)cc(C)c1CNC(=O)Nc1cc(ccc1C)[*:1]
COc1nc(C)cc(C)c1CNC(=O)Nc1cc(NC(=O)C2CC2)ccc1C C1CC1[*:1] COc1nc(C)cc(C)c1CNC(=O)Nc1cc(ccc1C)NC(=O)[*:1]
CCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
CCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc1 O=C([O-])[*:1] CCc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)[*:1]
COc1cccc(-c2nc(C(=O)OCc3cnc(C)s3)c(C)[nH]2)c1 Cc1ncc(C[*:1])s1 COc1cccc(c1)-c1nc(C(=O)O[*:1])c(C)[nH]1
COc1cccc(-c2nc(C(=O)OCc3cnc(C)s3)c(C)[nH]2)c1 Cc1ncc(s1)[*:1] COc1cccc(c1)-c1nc(C(=O)OC[*:1])c(C)[nH]1
COc1cccc(-c2nc(C(=O)OCc3cnc(C)s3)c(C)[nH]2)c1 COc1cccc(c1)[*:1] Cc1ncc(COC(=O)c2nc([nH]c2C)[*:1])s1
CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ccc3ccccc3n1)n2CC CCC[*:1] CCn1c(CSc2ccc3ccccc3n2)nc2c1c(=O)[nH]c(=O)n2C[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ccc3ccccc3n1)n2CC CCCC[*:1] CCn1c(CSc2ccc3ccccc3n2)nc2c1c(=O)[nH]c(=O)n2[*:1]
O=C([O-])CCc1nnc(CSc2ccccc2)o1 O=C([O-])[*:1] c1ccc(cc1)SCc1nnc(CC[*:1])o1
O=C([O-])CCc1nnc(CSc2ccccc2)o1 O=C([O-])CC[*:1] c1ccc(cc1)SCc1nnc(o1)[*:1]
O=C([O-])CCc1nnc(CSc2ccccc2)o1 O=C([O-])C[*:1] c1ccc(cc1)SCc1nnc(C[*:1])o1
O=C([O-])CCc1nnc(CSc2ccccc2)o1 c1ccc(cc1)[*:1] O=C([O-])CCc1nnc(CS[*:1])o1
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(-c4ccccc4C)cc2)CC3)c1 COc1cccc(c1)C(=O)N[*:1] Cc1ccccc1-c1ccc(cc1)CN1CCc2nnc([C@@H](C)[*:1])n2CC1
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(-c4ccccc4C)cc2)CC3)c1 COc1cccc(c1)[*:1] Cc1ccccc1-c1ccc(cc1)CN1CCc2nnc([C@@H](C)NC(=O)[*:1])n2CC1
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(-c4ccccc4C)cc2)CC3)c1 Cc1ccccc1[*:1] COc1cccc(c1)C(=O)N[C@H](C)c1nnc2CCN(CCn21)Cc1ccc(cc1)[*:1]
CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccsc1 c1cc(cs1)[*:1] CCN(Cc1ccc(OC)c(c1)OC)C(=O)[*:1]
O=C([O-])c1ccc(-c2ccc(C(=O)[O-])s2)cc1 O=C([O-])[*:1] O=C([O-])c1ccc(cc1)-c1ccc(s1)[*:1]
O=C([O-])c1ccc(-c2ccc(C(=O)[O-])s2)cc1 O=C([O-])[*:1] O=C([O-])c1ccc(s1)-c1ccc(cc1)[*:1]
Cc1cccc(C2=CCN(C[C@H](O)CN3C[C@H](C)O[C@H](C)C3)CC2)c1 Cc1cccc(c1)[*:1] C[C@H]1CN(C[C@@H](O)CN2CC=C(CC2)[*:1])C[C@@H](C)O1
C[S@](=O)c1ccc(CNC(=O)N[C@@H](c2nccs2)C2CC2)cc1 C[S@](=O)[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@@H](c1nccs1)C1CC1
C[S@](=O)c1ccc(CNC(=O)N[C@@H](c2nccs2)C2CC2)cc1 C1CC1[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)N[C@@H](c1nccs1)[*:1]
C[S@](=O)c1ccc(CNC(=O)N[C@@H](c2nccs2)C2CC2)cc1 c1csc(n1)[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)N[C@@H](C1CC1)[*:1]
c1ccc(-n2nccc2-c2cccc3ccccc23)cc1 c1ccc(cc1)[*:1] c1ccc2c(cccc2c1)-c1ccnn1[*:1]
C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)C(=O)[O-] O=C([O-])[*:1] C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)[*:1]
CCc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3C)c2C2CC[NH2+]CC2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)-n1ncc(C(=O)N[*:1])c1C1CC[NH2+]CC1
CCc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3C)c2C2CC[NH2+]CC2)cc1 Cc1ccc(c(C)c1)[*:1] CCc1ccc(cc1)NC(=O)c1cnn(c1C1CC[NH2+]CC1)[*:1]
CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOc2ncccc2Cl)c1 CC(=O)N[*:1] C[C@@H]([NH2+]CCOc1ncccc1Cl)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOc2ncccc2Cl)c1 Clc1cccnc1[*:1] CC(=O)Nc1cccc(c1)[C@@H](C)[NH2+]CCO[*:1]
CNC(=O)c1cccc(NCC(=O)N2CCCC[C@@H]2C)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NCC(=O)N1CCCC[C@@H]1C
Cc1cc(=O)n(C)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 Cc1cc(=O)n(C)cc1[*:1] N#Cc1ccccc1OCc1ccc(o1)C(=O)N[*:1]
Cc1cc(=O)n(C)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 N#Cc1ccccc1[*:1] Cc1cc(=O)n(C)cc1NC(=O)c1ccc(CO[*:1])o1
Cc1cc(=O)n(C)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 N#Cc1ccccc1O[*:1] Cc1cc(=O)n(C)cc1NC(=O)c1ccc(C[*:1])o1
O=C(C[C@@H](O)c1ccccc1)N1CCC[C@@H](c2nccs2)C1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N1CCC[C@H](C1)c1nccs1
O=C(C[C@@H](O)c1ccccc1)N1CCC[C@@H](c2nccs2)C1 c1csc(n1)[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCC[C@@H](C1)[*:1]
COC[C@@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)C(N)=O COC[C@@H](C(N)=O)[*:1] O=C(Cc1c[nH]c2cc(Br)ccc12)N[*:1]
COC[C@@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)[*:1]
COC[C@@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)C(N)=O COC[*:1] NC(=O)[C@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)[*:1]
CC(C)(NC(=O)NCCc1ccccn1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)(NC(=O)NCCc1ccccn1)[*:1]
CC(C)(NC(=O)NCCc1ccccn1)c1ccc(Br)cc1 c1ccc(C[*:1])nc1 CC(C)(NC(=O)NC[*:1])c1ccc(Br)cc1
CC(C)(NC(=O)NCCc1ccccn1)c1ccc(Br)cc1 c1ccc(nc1)[*:1] CC(C)(NC(=O)NCC[*:1])c1ccc(Br)cc1
C=CCNC(=O)CN1NN=C(c2ccccc2)N1 c1ccc(cc1)[*:1] C=CCNC(=O)CN1NN=C(N1)[*:1]
C=CCNC(=O)CN1NN=C(c2ccccc2)N1 C=CC[*:1] O=C(CN1NN=C(N1)c1ccccc1)N[*:1]
C=CCNC(=O)CN1NN=C(c2ccccc2)N1 C=CCNC(=O)[*:1] c1ccc(cc1)C1=NNN(C[*:1])N1
COc1cc(N)ccc1SCc1ccc(C(=O)[O-])s1 O=C([O-])[*:1] COc1cc(N)ccc1SCc1ccc(s1)[*:1]
Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)n1 Cc1cc(C)n(n1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)[C@@H](C)[*:1]
Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)n1 CS(=O)(=O)[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)Nc1ccc(C)c(c1)[*:1]
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O)[*:1]
O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)OCC1c2ccccc2-c2ccccc21 O=C([O-])[*:1] O=C1NCCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C[*:1]
O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)OCC1c2ccccc2-c2ccccc21 O=C([O-])C[*:1] O=C1NCCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1[*:1]
O=C(NC1CCC(NC(=O)c2ccccc2Cl)CC1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NC1CCC(CC1)NC(=O)[*:1])c1ccccc1Cl
CC(C)(C)c1noc(CCCC(=O)N2CCC[C@H]2c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] CC(C)(C)c1noc(CCCC(=O)N2CCC[C@@H]2[*:1])n1
CC(C)(C)c1noc(CCCC(=O)N2CCC[C@H]2c2cccc(F)c2)n1 CC(C)(C)[*:1] O=C(CCCc1nc(no1)[*:1])N1CCC[C@H]1c1cccc(F)c1
CC[C@@H](C)N(Cc1ccccc1)C(=O)c1scnc1C1CC1 c1ccc(cc1)[*:1] CC[C@@H](C)N(C[*:1])C(=O)c1scnc1C1CC1
CC[C@@H](C)N(Cc1ccccc1)C(=O)c1scnc1C1CC1 C1CC1[*:1] CC[C@@H](C)N(Cc1ccccc1)C(=O)c1scnc1[*:1]
CC[C@@H](C)N(Cc1ccccc1)C(=O)c1scnc1C1CC1 c1ccc(cc1)C[*:1] CC[C@@H](C)N(C(=O)c1scnc1C1CC1)[*:1]
CC[C@@H](C)N(Cc1ccccc1)C(=O)c1scnc1C1CC1 CC[C@@H](C)[*:1] O=C(c1scnc1C1CC1)N(Cc1ccccc1)[*:1]
Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](C[*:1])NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 NS(=O)(=O)[*:1] Cc1cc(C)cc(c1)C[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
COCc1cc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)c(C)o1 COC[*:1] Cc1csc(n1)[C@@H]1CCCN(C1)C(=O)c1cc(oc1C)[*:1]
COCc1cc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)c(C)o1 Cc1csc(n1)[*:1] COCc1cc(C(=O)N2CCC[C@@H](C2)[*:1])c(C)o1
O=C1CCC[C@H]1CCN1CCN(c2nccs2)CC1 O=C1CCC[C@@H]1[*:1] c1csc(n1)N1CCN(CC1)CC[*:1]
O=C1CCC[C@H]1CCN1CCN(c2nccs2)CC1 c1csc(n1)[*:1] O=C1CCC[C@H]1CCN1CCN(CC1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1
NC(=O)[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c2ccccc2O1 NC(=O)[*:1] O=C(c1cc(nn1-c1ccccc1)-c1ccc(Cl)cc1)N1C[C@H](Oc2ccccc21)[*:1]
NC(=O)[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c2ccccc2O1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CN(C(=O)c2cc(nn2[*:1])-c2ccc(Cl)cc2)c2ccccc2O1
NC(=O)[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c2ccccc2O1 Clc1ccc(cc1)[*:1] NC(=O)[C@@H]1CN(C(=O)c2cc(nn2-c2ccccc2)[*:1])c2ccccc2O1
COc1cccc(NC(=O)NC[C@H](O)c2sccc2C)c1 Cc1ccsc1[*:1] COc1cccc(c1)NC(=O)NC[C@H](O)[*:1]
C[C@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccc(cc1)[*:1]
COc1cc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2cccs2)ccc1OCC#N c1csc(c1)[*:1] COc1cc(/C=C/C(=O)N2CCc3sccc3[C@@H]2[*:1])ccc1OCC#N
COc1cc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2cccs2)ccc1OCC#N N#CCO[*:1] COc1cc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2cccs2)ccc1[*:1]
COc1cc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2cccs2)ccc1OCC#N N#CC[*:1] COc1cc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2cccs2)ccc1O[*:1]
O=S(=O)([N-]c1nc(-c2cccnc2)cs1)c1ccccc1C(F)(F)F c1cncc(c1)[*:1] O=S(=O)([N-]c1nc(cs1)[*:1])c1ccccc1C(F)(F)F
O=S(=O)([N-]c1nc(-c2cccnc2)cs1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=S(=O)([N-]c1nc(cs1)-c1cccnc1)c1ccccc1[*:1]
Cc1ccc(F)c(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1 Clc1ccc(nc1)[*:1] Cc1ccc(F)c(c1)NC(=O)N1CCN(CC1)[*:1]
Cc1ccc(F)c(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1 Cc1ccc(F)c(c1)[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=c1c2ccccc2[nH]c(=S)n1Cc1cccnc1 c1cncc(c1)[*:1] O=c1c2ccccc2[nH]c(=S)n1C[*:1]
CCSC1=NC(=O)[C@H]2C(=N1)NC1=C(C(=O)CCC1)[C@H]2c1cccnc1 c1cncc(c1)[*:1] CCSC1=NC(=O)[C@H]2C(=N1)NC1CCCC(=O)C=1[C@@H]2[*:1]
C[C@@]1(c2ccccc2)CCCN(c2cncc(C(=O)N3CCCC3)n2)C1 O=C(N1CCCC1)[*:1] C[C@]1(CCCN(C1)c1cncc(n1)[*:1])c1ccccc1
C[C@@]1(c2ccccc2)CCCN(c2cncc(C(=O)N3CCCC3)n2)C1 c1ccc(cc1)[*:1] C[C@]1(CCCN(C1)c1cncc(n1)C(=O)N1CCCC1)[*:1]
CCCC[C@H]([NH3+])C(=O)N1CCC(n2cccn2)CC1 c1cnn(c1)[*:1] CCCC[C@H]([NH3+])C(=O)N1CCC(CC1)[*:1]
CCCC[C@H]([NH3+])C(=O)N1CCC(n2cccn2)CC1 CCC[*:1] [NH3+][C@@H](C[*:1])C(=O)N1CCC(CC1)n1cccn1
CCCC[C@H]([NH3+])C(=O)N1CCC(n2cccn2)CC1 CCCC[*:1] [NH3+][C@H](C(=O)N1CCC(CC1)n1cccn1)[*:1]
CCc1nn(C)cc1NC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CCc1nn(C)cc1NC(=O)N[C@@H]1CCC[C@@H]1[*:1]
CCc1nn(C)cc1NC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 CCc1nn(C)cc1[*:1] O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)N[*:1]
CCc1nn(C)cc1NC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)N[C@@H]1CCC[C@H]1C[*:1]
Cc1cccc(C)c1C(=O)NNC(=O)Cc1ccncc1 c1cc(ccn1)[*:1] Cc1cccc(C)c1C(=O)NNC(=O)C[*:1]
Cc1cccc(C)c1C(=O)NNC(=O)Cc1ccncc1 c1cc(ccn1)C[*:1] Cc1cccc(C)c1C(=O)NNC(=O)[*:1]
C[C@@H](Cl)c1nc2c(F)cccc2n1[C@H]1CCCC1(C)C C[C@@H](Cl)[*:1] CC1(C)CCC[C@@H]1n1c(nc2c(F)cccc21)[*:1]
O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(C(F)(F)F)nn3cc21 FC(F)(F)[*:1] O=C1C[C@@H](Cc2nc3nc(nn3cc21)[*:1])c1ccc(Cl)cc1
O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(C(F)(F)F)nn3cc21 Clc1ccc(cc1)[*:1] O=C1C[C@H](Cc2nc3nc(nn3cc21)C(F)(F)F)[*:1]
O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCN1CC[NH+](CC1)C[*:1])C(=O)Nc1ccccc1
O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCCN1CC[NH+](CC1)[*:1])C(=O)Nc1ccccc1
O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCN1CC[NH+](CC1)Cc1ccccc1)C(=O)N[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)CSCC(F)(F)F)n1 FC(F)(F)CS[*:1] Cc1cc(C)n(CC(=O)NNC(=O)C[*:1])n1
Cc1cc(C)n(CC(=O)NNC(=O)CSCC(F)(F)F)n1 FC(F)(F)[*:1] Cc1cc(C)n(CC(=O)NNC(=O)CSC[*:1])n1
Cc1cc(C)n(CC(=O)NNC(=O)CSCC(F)(F)F)n1 FC(F)(F)CSC[*:1] Cc1cc(C)n(CC(=O)NNC(=O)[*:1])n1
Cc1cc(C)n(CC(=O)NNC(=O)CSCC(F)(F)F)n1 Cc1cc(C)n(n1)[*:1] O=C(CSCC(F)(F)F)NNC(=O)C[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)CSCC(F)(F)F)n1 FC(F)(F)C[*:1] Cc1cc(C)n(CC(=O)NNC(=O)CS[*:1])n1
C[C@@H](C(=O)OCc1nc2ccccc2[nH]1)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)OCc1nc2ccccc2[nH]1)n1nnc(n1)[*:1]
CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CC=CCC2)c1 CCS(=O)(=O)[*:1] O=C(Nc1cc(ccc1O)[*:1])[C@H]1CC=CCC1
Cc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)NCc2ccc(cc2)N2CCCC2=O)c(C)n1[*:1]
Cc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c(C)n1C(C)C O=C1CCCN1[*:1] Cc1cc(C(=O)NCc2ccc(cc2)[*:1])c(C)n1C(C)C
C[C@@H](Nc1ccc(CC(=O)N(C)C)cc1)C(=O)Nc1cc(Cl)ccc1F CN(C)C(=O)[*:1] C[C@@H](Nc1ccc(cc1)C[*:1])C(=O)Nc1cc(Cl)ccc1F
C[C@@H](Nc1ccc(CC(=O)N(C)C)cc1)C(=O)Nc1cc(Cl)ccc1F Fc1ccc(Cl)cc1[*:1] C[C@@H](Nc1ccc(cc1)CC(=O)N(C)C)C(=O)N[*:1]
C[C@@H](Nc1ccc(CC(=O)N(C)C)cc1)C(=O)Nc1cc(Cl)ccc1F CN(C)C(=O)C[*:1] C[C@@H](Nc1ccc(cc1)[*:1])C(=O)Nc1cc(Cl)ccc1F
Cc1cccc([C@H]2C(=O)NC(=O)C[C@@H]2C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@H]1C(=O)NC(=O)C[C@H]1[*:1]
Cn1c(SCc2cccc(C#N)c2)nnc1-c1ccco1 c1coc(c1)[*:1] Cn1c(nnc1[*:1])SCc1cccc(C#N)c1
C=CCCC[C@@H](C)[NH+]1CCN(CC#N)CC1 C=CC[*:1] C[C@H](CC[*:1])[NH+]1CCN(CC#N)CC1
C=CCCC[C@@H](C)[NH+]1CCN(CC#N)CC1 N#CC[*:1] C=CCCC[C@@H](C)[NH+]1CCN(CC1)[*:1]
C=CCCC[C@@H](C)[NH+]1CCN(CC#N)CC1 C=CCCC[*:1] C[C@@H]([NH+]1CCN(CC#N)CC1)[*:1]
C=CCCC[C@@H](C)[NH+]1CCN(CC#N)CC1 C=CCC[*:1] C[C@H](C[*:1])[NH+]1CCN(CC#N)CC1
Cc1nc(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)o1 Cc1nc(C)c(o1)[*:1] CC(C)(C)c1ccc(cc1)CNC(=O)[*:1]
Cc1nc(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)o1 CC(C)(C)[*:1] Cc1nc(C)c(o1)C(=O)NCc1ccc(cc1)[*:1]
CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1 O=[N+]([O-])[*:1] CCN(CC)C(=O)/C(=C/c1cccc(c1)[*:1])NC(=O)c1ccc(C)cc1
CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])NC(=O)[*:1]
CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)C(=O)N/C(=C\c1cccc(c1)[N+](=O)[O-])[*:1]
CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CCN(CC)C(=O)C(=C[*:1])NC(=O)c1ccc(C)cc1
CCc1noc(-c2ccc(CCNC(=O)c3cnc(C)cn3)cc2)n1 CCc1noc(n1)[*:1] Cc1cnc(cn1)C(=O)NCCc1ccc(cc1)[*:1]
CCc1noc(-c2ccc(CCNC(=O)c3cnc(C)cn3)cc2)n1 Cc1cnc(cn1)[*:1] CCc1noc(n1)-c1ccc(cc1)CCNC(=O)[*:1]
CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1Cc1cccc(O)c1 CCC[*:1] CC[C@@H]1CC[C@@H]([NH2+][*:1])[C@@H](Cc2cccc(O)c2)C1
O=C(C1=C([O-])C(=O)N(CCO)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] O=C1C([O-])=C([C@@H](c2ccccc2[N+](=O)[O-])N1CCO)[*:1]
O=C(C1=C([O-])C(=O)N(CCO)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccccc2[N+](=O)[O-])N1CCO
O=C(C1=C([O-])C(=O)N(CCO)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 O=[N+]([O-])c1ccccc1[*:1] O=C(C1=C([O-])C(=O)N(CCO)[C@H]1[*:1])c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(CCO)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 OCC[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccccc1[N+](=O)[O-])[*:1])c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(CCO)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C(C1=C([O-])C(=O)N(CCO)[C@@H]1c1ccccc1[*:1])c1ccc(Cl)cc1
CCCCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl CCCC[*:1] COC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N[*:1]
CCCCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl COC(=O)[*:1] CCCCNS(=O)(=O)c1cc(c(Cl)cc1Cl)[*:1]
CCCCNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl CCC[*:1] COC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)NC[*:1]
CCC(CC)CN1CCO[C@H]2CC[C@@H](OC)C[C@@H]21 CCC(CC)[*:1] CO[C@@H]1CC[C@@H]2OCCN(C[*:1])[C@H]2C1
CCC(CC)CN1CCO[C@H]2CC[C@@H](OC)C[C@@H]21 CCC(CC)C[*:1] CO[C@@H]1CC[C@@H]2OCCN([C@H]2C1)[*:1]
CC(=O)c1cc(F)c(C)cc1N(CCCO)C(C)C CC(=O)[*:1] Cc1cc(c(cc1F)[*:1])N(CCCO)C(C)C
CC(=O)c1cc(F)c(C)cc1N(CCCO)C(C)C CC(C)[*:1] CC(=O)c1cc(F)c(C)cc1N(CCCO)[*:1]
CC(=O)c1cc(F)c(C)cc1N(CCCO)C(C)C OCCC[*:1] CC(=O)c1cc(F)c(C)cc1N(C(C)C)[*:1]
CC(=O)c1cc(F)c(C)cc1N(CCCO)C(C)C OCC[*:1] CC(=O)c1cc(F)c(C)cc1N(C[*:1])C(C)C
N#C/C(=C\c1ccc(Cl)s1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 Clc1ccc(s1)[*:1] N#CC(=C[*:1])c1nc2sc3CCCCc3c2c(=O)[nH]1
Cc1ccc(CC(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4nccnc34)C2)cc1 Cc1ccc(cc1)C[*:1] C[NH+](C)CCn1nc(c2nccnc21)[C@H]1CCN(C1)C(=O)[*:1]
Cc1ccc(CC(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4nccnc34)C2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)CCn1nc(c2nccnc21)[C@H]1CCN(C1)C(=O)C[*:1]
Cc1ccccc1NC(=O)[C@H]1CC(=O)NC2=NC(SCc3ccccc3Cl)=NC(=O)[C@@H]21 Cc1ccccc1[*:1] O=C1C[C@H](C(=O)N[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1ccccc1Cl
Cc1ccccc1NC(=O)[C@H]1CC(=O)NC2=NC(SCc3ccccc3Cl)=NC(=O)[C@@H]21 Cc1ccccc1NC(=O)[*:1] O=C1C[C@@H]([C@H]2C(=O)N=C(N=C2N1)SCc1ccccc1Cl)[*:1]
Cc1ccccc1NC(=O)[C@H]1CC(=O)NC2=NC(SCc3ccccc3Cl)=NC(=O)[C@@H]21 Clc1ccccc1C[*:1] Cc1ccccc1NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)S[*:1]
Cc1ccccc1NC(=O)[C@H]1CC(=O)NC2=NC(SCc3ccccc3Cl)=NC(=O)[C@@H]21 Clc1ccccc1[*:1] Cc1ccccc1NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)SC[*:1]
COc1ccc(NC(=O)CCCCO)cc1Br OCCC[*:1] COc1ccc(cc1Br)NC(=O)C[*:1]
COc1ccc(NC(=O)CCCCO)cc1Br OCCCC[*:1] COc1ccc(cc1Br)NC(=O)[*:1]
COc1ccc(NC(=O)CCCCO)cc1Br OCC[*:1] COc1ccc(cc1Br)NC(=O)CC[*:1]
CCC(=O)[C@H](C)CNC(=O)c1ccccc1 CCC(=O)[*:1] C[C@H](CNC(=O)c1ccccc1)[*:1]
CCOc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)N1CCOCC1 Cc1cc(Cl)ccc1[*:1] CCOc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)N[*:1]
CCOc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)N1CCOCC1 O=C(CO[*:1])N1CCOCC1 CCOc1cc(ccc1[*:1])C(=O)Nc1ccc(Cl)cc1C
CCOc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CCOc1cc(ccc1OC[*:1])C(=O)Nc1ccc(Cl)cc1C
CCOc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)N1CCOCC1 CCO[*:1] Cc1cc(Cl)ccc1NC(=O)c1ccc(OCC(=O)N2CCOCC2)c(c1)[*:1]
CCOc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 CCOc1cc(ccc1O[*:1])C(=O)Nc1ccc(Cl)cc1C
CN1C(=O)C[C@@H](C(=O)Nc2nnc(C3CCCCC3)s2)[C@H]1c1ccccc1 C1CCC(CC1)[*:1] CN1C(=O)C[C@@H](C(=O)Nc2nnc(s2)[*:1])[C@H]1c1ccccc1
CN1C(=O)C[C@@H](C(=O)Nc2nnc(C3CCCCC3)s2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)C[C@@H](C(=O)Nc2nnc(s2)C2CCCCC2)[C@@H]1[*:1]
COc1ccccc1OC(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O COc1ccccc1[*:1] Cc1nc([nH]c(=O)c1CCC(=O)O[*:1])-c1cccnc1
COc1ccccc1OC(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O c1cncc(c1)[*:1] COc1ccccc1OC(=O)CCc1c(C)nc([nH]c1=O)[*:1]
O=C(c1cc(Br)ccc1Cl)N1CCO[C@@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(c1cc(Br)ccc1Cl)N1CCO[C@@H](C1)[*:1]
CCc1cccc(CC)c1NC(=O)CSc1nnc(C(C)C)o1 CC(C)[*:1] CCc1cccc(CC)c1NC(=O)CSc1nnc(o1)[*:1]
O=C(N[C@@H](Cc1ccccc1)C1CC1)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[C@@H](Cc1ccccc1)C1CC1)N1CCO[C@@H](C1)[*:1]
O=C(N[C@@H](Cc1ccccc1)C1CC1)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C1CC1)[*:1])N1CCO[C@H](C1)c1ccccc1
O=C(N[C@@H](Cc1ccccc1)C1CC1)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C1CC1)N1CCO[C@H](C1)c1ccccc1
O=C(N[C@@H](Cc1ccccc1)C1CC1)N1CCO[C@@H](c2ccccc2)C1 C1CC1[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])N1CCO[C@H](C1)c1ccccc1
O=C(Cc1cccc2ccccc12)Nc1ccc(-c2ccc3nncn3n2)cc1 c1cc2nncn2nc1[*:1] O=C(Cc1cccc2ccccc12)Nc1ccc(cc1)[*:1]
CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 c1ccc(cc1)[*:1] CC[C@H](O[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)C
CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 c1ccc(cc1)O[*:1] CC[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)C)[*:1]
Cc1nccn1-c1cncc(NC[C@@H](C)c2cccs2)n1 Cc1nccn1[*:1] C[C@H](CNc1cncc(n1)[*:1])c1cccs1
Cc1nccn1-c1cncc(NC[C@@H](C)c2cccs2)n1 c1csc(c1)[*:1] Cc1nccn1-c1cncc(n1)NC[C@@H](C)[*:1]
Cc1nccn1-c1cncc(NC[C@@H](C)c2cccs2)n1 C[C@@H](c1cccs1)[*:1] Cc1nccn1-c1cncc(n1)NC[*:1]
CC(=O)NNc1cc(C)nc([N-]S(=O)(=O)c2ccc(C)cc2)n1 CC(=O)NN[*:1] Cc1ccc(cc1)S(=O)(=O)[N-]c1nc(C)cc(n1)[*:1]
CC(=O)NNc1cc(C)nc([N-]S(=O)(=O)c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CC(=O)NNc1cc(C)nc(n1)[N-]S(=O)(=O)[*:1]
CCOC[C@@H]1CCCN(C(=O)Cc2ccccc2F)C1 CCO[*:1] O=C(Cc1ccccc1F)N1CCC[C@H](C1)C[*:1]
CCOC[C@@H]1CCCN(C(=O)Cc2ccccc2F)C1 CCOC[*:1] O=C(Cc1ccccc1F)N1CCC[C@H](C1)[*:1]
O=C1c2ccccc2-c2ccc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc21 c1cc2OCOc2cc1[*:1] O=C1c2ccccc2-c2ccc(cc21)C(=O)N1CCC(CC1)C(=O)N[*:1]
C#CCN(C(=O)N[C@H](C)c1ccco1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)N[C@H](C)c1ccco1)[*:1]
C#CCN(C(=O)N[C@H](C)c1ccco1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] C[C@@H](NC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1])c1ccco1
C#CCN(C(=O)N[C@H](C)c1ccco1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] C#CCN(C(=O)N[C@H](C)[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)N[C@H](C)c1ccco1)[C@H]1CCS(=O)(=O)C1 C[C@H](c1ccco1)[*:1] C#CCN(C(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] O=C(NC1CCN(CC1)C(=O)c1ccco1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@@H]1CC(=O)N(CC2CC2)C1 c1coc(c1)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])[C@@H]1CC(=O)N(CC2CC2)C1
O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] O=C(NC1CCN(CC1)C(=O)c1ccco1)[C@@H]1CC(=O)N(C1)[*:1]
CC[NH2+][C@@H](Cc1ccnc(N)c1)C1(N(C)C)CCCC1 CN(C)[*:1] CC[NH2+][C@@H](Cc1ccnc(N)c1)C1(CCCC1)[*:1]
CC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n1C CC(=O)[*:1] Cn1c(nc2ccccc21)SCC(=O)Nc1ccccc1[*:1]
COc1ccc(Cl)cc1CNC(=O)C[NH+]1CCC(NC(N)=O)CC1 NC(=O)N[*:1] COc1ccc(Cl)cc1CNC(=O)C[NH+]1CCC(CC1)[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(C#N)c(Cl)c2)no1 Cc1cc(no1)[*:1] C[C@H](SCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)N[*:1]
CC(=O)Cc1c(C)n[nH]c1C CC(=O)[*:1] Cc1n[nH]c(C)c1C[*:1]
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)c1nccn2ccnc12 CC(C)CCO[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])c1nccn2ccnc12
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)c1nccn2ccnc12 CC(C)[*:1] O=C(N[C@H]1CCCC[C@H]1OCC[*:1])c1nccn2ccnc12
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)c1nccn2ccnc12 CC(C)C[*:1] O=C(N[C@H]1CCCC[C@H]1OC[*:1])c1nccn2ccnc12
CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)c1nccn2ccnc12 CC(C)CC[*:1] O=C(N[C@H]1CCCC[C@H]1O[*:1])c1nccn2ccnc12
O=C(/C=C/c1ccc(Cl)nc1)N[C@H](CO)Cc1c[nH]c2ccccc12 Clc1ccc(cn1)[*:1] O=C(C=C[*:1])N[C@H](CO)Cc1c[nH]c2ccccc12
CS(=O)(=O)N[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cn2)C1 CS(=O)(=O)N[*:1] O=C(CN1CCC[C@H](C1)[*:1])Nc1ccc(Cl)cn1
CS(=O)(=O)N[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cn2)C1 Clc1ccc(nc1)[*:1] CS(=O)(=O)N[C@@H]1CCCN(CC(=O)N[*:1])C1
CCOC(=O)C1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 CC(C)(C)[*:1] CCOC(=O)C1CCC(CC1)[NH+]1CCC(CC1)NC(=O)O[*:1]
CCOC(=O)C1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 CCOC(=O)[*:1] CC(C)(C)OC(=O)NC1CC[NH+](CC1)C1CCC(CC1)[*:1]
CCOC(=O)C1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 CC(C)(C)OC(=O)N[*:1] CCOC(=O)C1CCC(CC1)[NH+]1CCC(CC1)[*:1]
CCOc1ccc(-c2nc(C(=O)N3[C@@H](C)COC[C@@H]3C)cs2)cc1 CCO[*:1] C[C@H]1COC[C@H](C)N1C(=O)c1csc(n1)-c1ccc(cc1)[*:1]
O=C(NCc1ccccc1CO)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 OCc1ccccc1[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F
O=C(NCc1ccccc1CO)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCc1ccccc1CO)[C@@H]1C[C@@H]1c1ccc(cc1)[*:1]
Cc1cc(N(C)C)nc(-n2nc(C)cc2C)n1 CN(C)[*:1] Cc1cc(nc(n1)-n1nc(C)cc1C)[*:1]
CC(=O)c1ccc(NC(=O)N2CCC[C@H]([C@@H](C)O)C2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CCC[C@@H](C1)[C@@H](C)O
CC(=O)c1ccc(NC(=O)N2CCC[C@H]([C@@H](C)O)C2)cc1C C[C@@H](O)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N1CCC[C@H](C1)[*:1]
C[C@H](Sc1c([O-])on[n+]1C)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@H](Sc1c([O-])on[n+]1C)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H]([NH2+][C@H]1CCN(C1)CC(F)(F)F)[*:1]
CC(C)[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)C(=O)N1CCCC1 FC(F)(F)C[*:1] CC(C)[C@H]([NH2+][C@H]1CCN(C1)[*:1])C(=O)N1CCCC1
CC(C)[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)C(=O)N1CCCC1 FC(F)(F)[*:1] CC(C)[C@H]([NH2+][C@H]1CCN(C1)C[*:1])C(=O)N1CCCC1
CC(C)[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)C(=O)N1CCCC1 CC(C)[*:1] O=C([C@@H]([NH2+][C@H]1CCN(C1)CC(F)(F)F)[*:1])N1CCCC1
CC1(C)CC(/C=C/c2cccc([N+](=O)[O-])c2)=Nc2ccccc2N1 O=[N+]([O-])[*:1] CC1(C)CC(/C=C/c2cccc(c2)[*:1])=Nc2ccccc2N1
Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1ncnc2nc(N)ccc12 c1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)Nc1ncnc2nc(N)ccc12)[*:1]
CC(C)NC(=O)CCO[C@H]1CCC[NH2+][C@H]1C CC(C)[*:1] C[C@@H]1[NH2+]CCC[C@@H]1OCCC(=O)N[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)[*:1]
CCCCC[C@H](C)NC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 CCCC[*:1] C[C@@H](C[*:1])NC(=O)N1CCC(CC1)NC(=O)c1ccccc1F
CCCCC[C@H](C)NC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 CCCCC[*:1] C[C@H](NC(=O)N1CCC(CC1)NC(=O)c1ccccc1F)[*:1]
CCCCC[C@H](C)NC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CCCCC[C@H](C)NC(=O)N1CCC(CC1)NC(=O)[*:1]
CCCCC[C@H](C)NC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 CCC[*:1] C[C@@H](CC[*:1])NC(=O)N1CCC(CC1)NC(=O)c1ccccc1F
O=C(NCCc1ccc(F)cc1)NCCc1nc2ccccc2s1 Fc1ccc(cc1)[*:1] O=C(NCCc1nc2ccccc2s1)NCC[*:1]
O=C(NCCc1ccc(F)cc1)NCCc1nc2ccccc2s1 Fc1ccc(cc1)C[*:1] O=C(NCCc1nc2ccccc2s1)NC[*:1]
CCC(CC)[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C)C(=O)OC COC(=O)[*:1] CCC(CC)[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C)[*:1]
CCC(CC)[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C)C(=O)OC CCC(CC)[*:1] COC(=O)[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C)[*:1]
Cc1cc(Br)cnc1SCC1(CC(=O)[O-])CC1 O=C([O-])C[*:1] Cc1cc(Br)cnc1SCC1(CC1)[*:1]
Cc1cc(Br)cnc1SCC1(CC(=O)[O-])CC1 O=C([O-])[*:1] Cc1cc(Br)cnc1SCC1(CC1)C[*:1]
CCCCN1C[C@H](C(=O)N(Cc2ccccc2)c2ccccn2)CC1=O c1ccc(cc1)[*:1] CCCCN1C[C@@H](CC1=O)C(=O)N(C[*:1])c1ccccn1
CCCCN1C[C@H](C(=O)N(Cc2ccccc2)c2ccccn2)CC1=O c1ccc(cc1)C[*:1] CCCCN1C[C@@H](CC1=O)C(=O)N(c1ccccn1)[*:1]
CCCCN1C[C@H](C(=O)N(Cc2ccccc2)c2ccccn2)CC1=O CCC[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N(Cc1ccccc1)c1ccccn1
CCCCN1C[C@H](C(=O)N(Cc2ccccc2)c2ccccn2)CC1=O c1ccc(nc1)[*:1] CCCCN1C[C@@H](CC1=O)C(=O)N(Cc1ccccc1)[*:1]
CCCCN1C[C@H](C(=O)N(Cc2ccccc2)c2ccccn2)CC1=O CCCC[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N(Cc1ccccc1)c1ccccn1
CN1C(=O)C[C@@H](NC(=O)/C=C/c2ccnc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)/C=C/c2ccnc(Cl)c2)[C@H]1[*:1]
CN1C(=O)C[C@@H](NC(=O)/C=C/c2ccnc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 Clc1cc(ccn1)[*:1] CN1C(=O)C[C@@H](NC(=O)C=C[*:1])[C@@H]1c1ccc(Cl)cc1
CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1 c1cncc(c1)[*:1] CC(=O)C1=C(O)C(=O)N([C@@H]1c1ccccc1)[*:1]
CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1 CC(=O)[*:1] O=C1C(O)=C([C@@H](c2ccccc2)N1c1cccnc1)[*:1]
CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@H]1[*:1]
CCCCc1[nH]cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)[nH+]1 CCCC[*:1] Fc1ccccc1N1CC[NH+](CC1)[C@H]1CCCN(Cc2c[nH]c([nH+]2)[*:1])C1
CCCCc1[nH]cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)[nH+]1 Fc1ccccc1[*:1] CCCCc1[nH]cc(CN2CCC[C@@H](C2)[NH+]2CCN(CC2)[*:1])[nH+]1
CCCCc1[nH]cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)[nH+]1 CCC[*:1] Fc1ccccc1N1CC[NH+](CC1)[C@H]1CCCN(Cc2c[nH]c(C[*:1])[nH+]2)C1
N#CCC(=O)NC1CCCCCCCCCCC1 N#CCC(=O)N[*:1] C1CCCCCC(CCCCC1)[*:1]
N#CCC(=O)NC1CCCCCCCCCCC1 N#CC[*:1] O=C(NC1CCCCCCCCCCC1)[*:1]
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(O)c1 CCOC(=O)[*:1] CC1NC(=O)N[C@@H](C=1[*:1])c1cccc(O)c1
CCn1c(CC2CC[NH+](Cc3c(F)cccc3F)CC2)n[nH]c1=O Fc1cccc(F)c1[*:1] CCn1c(CC2CC[NH+](CC2)C[*:1])n[nH]c1=O
CCn1c(CC2CC[NH+](Cc3c(F)cccc3F)CC2)n[nH]c1=O CCn1c(n[nH]c1=O)[*:1] Fc1cccc(F)c1C[NH+]1CCC(CC1)C[*:1]
CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(C)cc4)n3)c(=O)n12 CCC[*:1] Cc1ccc(cc1)-n1nc(cc1C)-c1c(C)nc2scc(CC(=O)NC[*:1])n2c1=O
CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(C)cc4)n3)c(=O)n12 Cc1ccc(cc1)[*:1] CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(n3)[*:1])c(=O)n12
CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(C)cc4)n3)c(=O)n12 CCCCNC(=O)[*:1] Cc1ccc(cc1)-n1nc(cc1C)-c1c(C)nc2scc(C[*:1])n2c1=O
CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(C)cc4)n3)c(=O)n12 CCCC[*:1] Cc1ccc(cc1)-n1nc(cc1C)-c1c(C)nc2scc(CC(=O)N[*:1])n2c1=O
CCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(C)cc4)n3)c(=O)n12 CCCCNC(=O)C[*:1] Cc1ccc(cc1)-n1nc(cc1C)-c1c(C)nc2scc(n2c1=O)[*:1]
CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CCS[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)N[C@@H]1CCC[C@@H]1[*:1]
Cc1ccc(O[C@H](C)C(=O)Nc2ccsc2C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccsc1C(=O)[O-]
Cc1ccc(O[C@H](C)C(=O)Nc2ccsc2C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)Nc1ccsc1[*:1]
Cc1noc([C@H](C)Nc2cccc(C(F)(F)F)c2)n1 Cc1noc(n1)[*:1] C[C@H](Nc1cccc(c1)C(F)(F)F)[*:1]
Cc1noc([C@H](C)Nc2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] Cc1noc(n1)[C@H](C)Nc1cccc(c1)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)NC[C@H](O)c2ccc(F)cc2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)NC[C@H](O)c1ccc(F)cc1)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)NC[C@H](O)c2ccc(F)cc2)C(C)C)c1 O[C@H](c1ccc(F)cc1)[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)NC[*:1])C(C)C
Cc1cccc(C(=O)N[C@H](C(=O)NC[C@H](O)c2ccc(F)cc2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NC[C@H](O)c1ccc(F)cc1
Cc1cccc(C(=O)N[C@H](C(=O)NC[C@H](O)c2ccc(F)cc2)C(C)C)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)NC[C@H](O)[*:1])C(C)C
Cc1cccc(-n2ncc3c2NC(=O)C[C@@H]3C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cccc(c1)-n1ncc2c1NC(=O)C[C@H]2[*:1]
Cc1cccc(-n2ncc3c2NC(=O)C[C@@H]3C(F)(F)F)c1 Cc1cccc(c1)[*:1] O=C1C[C@@H](c2cnn(c2N1)[*:1])C(F)(F)F
Fc1cc2c(c(CN3CCN(c4ccccc4)CC3)c1)OCOC2 c1ccc(cc1)[*:1] Fc1cc2COCOc2c(c1)CN1CCN(CC1)[*:1]
Fc1ccc(-c2csc(NCCc3nc(-c4ccco4)n[nH]3)n2)cc1 c1coc(c1)[*:1] Fc1ccc(cc1)-c1csc(n1)NCCc1nc(n[nH]1)[*:1]
Fc1ccc(-c2csc(NCCc3nc(-c4ccco4)n[nH]3)n2)cc1 Fc1ccc(cc1)[*:1] c1coc(c1)-c1n[nH]c(CCNc2nc(cs2)[*:1])n1
CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)S(=O)(=O)c3cccnc3)[nH+]2)CC1=O CC(C)[*:1] CN(C)c1cc([nH+]c(CN(C)S(=O)(=O)c2cccnc2)n1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)S(=O)(=O)c3cccnc3)[nH+]2)CC1=O CN(C)[*:1] CC(C)N1C[C@H](CC1=O)c1cc(nc(CN(C)S(=O)(=O)c2cccnc2)[nH+]1)[*:1]
CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)S(=O)(=O)c3cccnc3)[nH+]2)CC1=O c1cncc(c1)[*:1] CC(C)N1C[C@H](CC1=O)c1cc(nc(CN(C)S(=O)(=O)[*:1])[nH+]1)N(C)C
CC(=O)N[C@@H](CC(=O)Nc1cccc(C2=NN=CC2)c1)c1cccs1 CC(=O)N[*:1] O=C(C[C@@H](c1cccs1)[*:1])Nc1cccc(c1)C1CC=NN=1
CC(=O)N[C@@H](CC(=O)Nc1cccc(C2=NN=CC2)c1)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1cccc(c1)C1CC=NN=1)[*:1]
Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 Cc1c(Cl)cccc1[*:1] CC(C)c1cc(on1)[C@@H]1CCCN1C(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 CC(C)[*:1] Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1c1cc(no1)[*:1]
Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 CC(C)c1cc(on1)[*:1] Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(F)c(OC(F)(F)F)c1F FC(F)(F)[*:1] Cc1ccc(F)c(O[*:1])c1F
O=C(NC[C@@H]1CCC[C@H]1O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F O[C@@H]1CCC[C@H]1[*:1] O=C(NC[*:1])c1ccccc1[N-]S(=O)(=O)C(F)(F)F
O=C(NC[C@@H]1CCC[C@H]1O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F FC(F)(F)[*:1] O=C(NC[C@@H]1CCC[C@H]1O)c1ccccc1[N-]S(=O)(=O)[*:1]
O=C(NC[C@@H]1CCC[C@H]1O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F O[C@@H]1CCC[C@H]1C[*:1] O=C(N[*:1])c1ccccc1[N-]S(=O)(=O)C(F)(F)F
COc1cccc(C[C@@H](C)Nc2nccn(CC(C)C)c2=O)c1 CC(C)[*:1] COc1cccc(c1)C[C@@H](C)Nc1nccn(C[*:1])c1=O
COc1cccc(C[C@@H](C)Nc2nccn(CC(C)C)c2=O)c1 CC(C)C[*:1] COc1cccc(c1)C[C@@H](C)Nc1nccn(c1=O)[*:1]
CCn1c(N2CCOCC2)nn(C[NH+]2CCC(OC)CC2)c1=S C1CN(CCO1)[*:1] CCn1c(nn(C[NH+]2CCC(CC2)OC)c1=S)[*:1]
O=C1CCCCN1CCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 O=C1CCCCN1[*:1] O=C(CC[*:1])N1CCO[C@@H](C1)c1ccc(Cl)cc1
O=C1CCCCN1CCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 O=C1CCCCN1C[*:1] O=C(C[*:1])N1CCO[C@@H](C1)c1ccc(Cl)cc1
O=C1CCCCN1CCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C1CCCCN1CCC(=O)N1CCO[C@H](C1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(-c3ccccc3)cn2N)c2ccccc2)c1 CC(=O)c1cccc(c1)[*:1] Nn1cc(nc1S[C@@H](C(=O)N[*:1])c1ccccc1)-c1ccccc1
CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(-c3ccccc3)cn2N)c2ccccc2)c1 CC(=O)[*:1] Nn1cc(nc1S[C@@H](C(=O)Nc1cccc(c1)[*:1])c1ccccc1)-c1ccccc1
CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(-c3ccccc3)cn2N)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H](Sc1nc(cn1N)[*:1])c1ccccc1
CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(-c3ccccc3)cn2N)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H](Sc1nc(cn1N)-c1ccccc1)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(c1)C(=O)N[*:1]
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NC2CC2)c1 O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])Nc1ccc(Cl)c(c1)C(=O)NC1CC1
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NC2CC2)c1 O=[N+]([O-])c1ccccc1[*:1] O=C(CO[*:1])Nc1ccc(Cl)c(c1)C(=O)NC1CC1
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(c1)[*:1]
CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(F)c(F)c1F CC(C)[*:1] C[C@@H](CC[*:1])NS(=O)(=O)c1ccc(F)c(F)c1F
CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(F)c(F)c1F CC(C)C[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1ccc(F)c(F)c1F
CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(F)c(F)c1F CC(C)CC[*:1] C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)[*:1]
NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1nc(-c2ccccc2)ns1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1nc(ns1)[*:1]
NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1nc(-c2ccccc2)ns1 NC(=O)[*:1] O=C(Nc1nc(ns1)-c1ccccc1)N[C@@H]1CCC[C@H]1[*:1]
O=C(NCc1cc(F)ccc1F)NCC1CCN(c2cc[nH+]cc2)CC1 Fc1ccc(F)c(c1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)NC[*:1]
Cc1cccc(OCCN(C)C(=O)C23CC4CC(CC(C4)C2)C3)c1 Cc1cccc(c1)O[*:1] CN(CC[*:1])C(=O)C12CC3CC(CC(C3)C1)C2
Cc1cccc(OCCN(C)C(=O)C23CC4CC(CC(C4)C2)C3)c1 Cc1cccc(c1)[*:1] CN(CCO[*:1])C(=O)C12CC3CC(CC(C3)C1)C2
CCOc1ccc(CNc2cnn(-c3ccccc3S(C)(=O)=O)c2)cc1 CCO[*:1] CS(=O)(=O)c1ccccc1-n1cc(cn1)NCc1ccc(cc1)[*:1]
CCOc1ccc(CNc2cnn(-c3ccccc3S(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] CCOc1ccc(cc1)CNc1cnn(c1)-c1ccccc1[*:1]
C[C@]1(CN[C@H](C[NH3+])c2ccc(F)c(Br)c2)CCCO1 C[C@@]1(CCCO1)[*:1] [NH3+]C[C@@H](NC[*:1])c1ccc(F)c(Br)c1
C[C@@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@]1(Cc2ccccc2C(=O)N1C[*:1])C(=O)NC1CCCCCC1
C[C@@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1C[C@@H]1CCCO1 C1CCCC(CC1)[*:1] C[C@]1(Cc2ccccc2C(=O)N1C[C@@H]1CCCO1)C(=O)N[*:1]
CS(=O)(=O)[C@H]1CCC[C@H]([C@H]([NH3+])c2cccnc2)C1 c1cncc(c1)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[C@H]([NH3+])[*:1]
CS(=O)(=O)[C@H]1CCC[C@H]([C@H]([NH3+])c2cccnc2)C1 CS(=O)(=O)[*:1] [NH3+][C@H](c1cccnc1)[C@H]1CCC[C@@H](C1)[*:1]
FCCCN1CCc2cc(Br)sc2C1 FCCC[*:1] Brc1cc2CCN(Cc2s1)[*:1]
FCCCN1CCc2cc(Br)sc2C1 FCC[*:1] Brc1cc2CCN(Cc2s1)C[*:1]
CCCN(CC(=O)N(C)C)S(=O)(=O)c1sccc1Br Brc1ccsc1[*:1] CCCN(CC(=O)N(C)C)S(=O)(=O)[*:1]
CCCN(CC(=O)N(C)C)S(=O)(=O)c1sccc1Br CN(C)C(=O)C[*:1] CCCN(S(=O)(=O)c1sccc1Br)[*:1]
CCCN(CC(=O)N(C)C)S(=O)(=O)c1sccc1Br CCC[*:1] CN(C)C(=O)CN(S(=O)(=O)c1sccc1Br)[*:1]
CCCN(CC(=O)N(C)C)S(=O)(=O)c1sccc1Br CN(C)C(=O)[*:1] CCCN(C[*:1])S(=O)(=O)c1sccc1Br
CN(C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2ccc(F)cn2)c1 CN(C)C(=O)[*:1] N#C[C@H](C(=O)c1cccc(c1)[*:1])c1ccc(F)cn1
CN(C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2ccc(F)cn2)c1 Fc1ccc(nc1)[*:1] CN(C)C(=O)c1cccc(c1)C(=O)[C@@H](C#N)[*:1]
CC[NH2+][C@@H](C)CC(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] CC[NH2+][C@@H](C)CC(=O)N(C)C[*:1]
CC[NH2+][C@@H](C)CC(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] CC[NH2+][C@@H](C)CC(=O)N(C)[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 CC(C)C[*:1] O=C(NC[C@H]1CN(CCO1)[*:1])c1ccccc1-c1ccc(cc1)C(F)(F)F
CC(C)CN1CCO[C@@H](CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 FC(F)(F)[*:1] CC(C)CN1CCO[C@@H](CNC(=O)c2ccccc2-c2ccc(cc2)[*:1])C1
CC(C)CN1CCO[C@@H](CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 FC(F)(F)c1ccc(cc1)[*:1] CC(C)CN1CCO[C@@H](CNC(=O)c2ccccc2[*:1])C1
CC(C)CN1CCO[C@@H](CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 CC(C)[*:1] O=C(NC[C@H]1CN(CCO1)C[*:1])c1ccccc1-c1ccc(cc1)C(F)(F)F
COCCOc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cc1 COC[*:1] O=C(NCc1ccc(cc1)OC[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
COCCOc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cc1 COCCO[*:1] O=C(NCc1ccc(cc1)[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
COCCOc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cc1 COCC[*:1] O=C(NCc1ccc(cc1)O[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
Cc1ccc(O[C@H](C)CNc2cc(C(F)(F)F)nc3ncnn23)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNc1cc(nc2ncnn12)C(F)(F)F)O[*:1]
Cc1ccc(O[C@H](C)CNc2cc(C(F)(F)F)nc3ncnn23)cc1 Cc1ccc(cc1)O[*:1] C[C@H](CNc1cc(nc2ncnn12)C(F)(F)F)[*:1]
Cc1ccc(O[C@H](C)CNc2cc(C(F)(F)F)nc3ncnn23)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)O[C@H](C)CNc1cc(nc2ncnn12)[*:1]
CCCCn1c(SCC(=O)N2CCCC[C@H]2C)nc2ccccc2c1=O CCC[*:1] C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1C[*:1]
CCCCn1c(SCC(=O)N2CCCC[C@H]2C)nc2ccccc2c1=O CCCC[*:1] C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 FC(F)(F)c1cccc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 FC(F)(F)[*:1] CC(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Cc1ccc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)NC(=O)[C@H](Sc1nnc(o1)[*:1])c1ccccc1
Cc1ccc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@H](Sc1nnc(Cc2ccccc2)o1)c1ccccc1
Cc1ccc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H](Sc1nnc(Cc2ccccc2)o1)[*:1]
Cc1ccc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H](Sc1nnc(C[*:1])o1)c1ccccc1
Cc1ccc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] c1ccc(cc1)Cc1nnc(o1)S[C@H](c1ccccc1)[*:1]
O=C(CCn1cncn1)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)[*:1] O=C(CCn1cncn1)N(Cc1ccccc1)C[*:1]
O=C(CCn1cncn1)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)[*:1] O=C(CCn1cncn1)N(Cc1ccco1)C[*:1]
O=C(CCn1cncn1)N(Cc1ccccc1)Cc1ccco1 c1ncn(C[*:1])n1 O=C(C[*:1])N(Cc1ccccc1)Cc1ccco1
O=C(CCn1cncn1)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)C[*:1] O=C(CCn1cncn1)N(Cc1ccccc1)[*:1]
O=C(CCn1cncn1)N(Cc1ccccc1)Cc1ccco1 c1ncn(CC[*:1])n1 O=C(N(Cc1ccccc1)Cc1ccco1)[*:1]
O=C(CCn1cncn1)N(Cc1ccccc1)Cc1ccco1 c1ncn(n1)[*:1] O=C(CC[*:1])N(Cc1ccccc1)Cc1ccco1
O=C(CCn1cncn1)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)C[*:1] O=C(CCn1cncn1)N(Cc1ccco1)[*:1]
CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccc(F)cc1Br Fc1ccc(c(Br)c1)[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C[*:1]
CCc1nc2c(s1)[C@@H](N[C@@H](c1nc(C3CC3)no1)C(C)C)CCC2 CC(C)[*:1] CCc1nc2CCC[C@H](N[C@@H](c3nc(no3)C3CC3)[*:1])c2s1
CCc1nc2c(s1)[C@@H](N[C@@H](c1nc(C3CC3)no1)C(C)C)CCC2 C1CC1c1noc(n1)[*:1] CCc1nc2CCC[C@H](N[C@@H](C(C)C)[*:1])c2s1
CCc1nc2c(s1)[C@@H](N[C@@H](c1nc(C3CC3)no1)C(C)C)CCC2 C1CC1[*:1] CCc1nc2CCC[C@H](N[C@@H](c3nc(no3)[*:1])C(C)C)c2s1
CSc1ccc(/C=C/C(=O)Nc2nonc2C)cc1 Cc1nonc1[*:1] CSc1ccc(/C=C/C(=O)N[*:1])cc1
CC1(C)S[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@@H]1C(=O)[O-] O=[N+]([O-])[*:1] CC1(C)S[C@@H]([NH2+][C@@H]1C(=O)[O-])c1ccc(cc1)[*:1]
CC1(C)S[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+][C@@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)S[C@@H]([NH2+][C@H]1[*:1])c1ccc(cc1)[N+](=O)[O-]
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(CC)c(N)c1 C=CCNC(=O)[*:1] CCc1ccc(cc1N)C(=O)O[C@H](C)[*:1]
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(CC)c(N)c1 C=CC[*:1] CCc1ccc(cc1N)C(=O)O[C@H](C)C(=O)N[*:1]
Cc1nc(S[C@@H](C(=O)[O-])c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] Cc1nc(nc2ccccc12)S[C@@H](C(=O)[O-])[*:1]
Cc1nc(S[C@@H](C(=O)[O-])c2ccccc2)nc2ccccc12 O=C([O-])[*:1] Cc1nc(nc2ccccc12)S[C@@H](c1ccccc1)[*:1]
CCCCNS(=O)(=O)c1ccc(Br)cc1N CCC[*:1] Nc1cc(Br)ccc1S(=O)(=O)NC[*:1]
CCCCNS(=O)(=O)c1ccc(Br)cc1N CCCC[*:1] Nc1cc(Br)ccc1S(=O)(=O)N[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](CC2Nc3nonc3N[C@H](C=21)c1cccs1)[*:1]
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2[*:1]
CCCc1noc(CCCC(=O)N2CCOc3ccccc3C2)n1 CCCc1noc(n1)[*:1] O=C(CCC[*:1])N1CCOc2ccccc2C1
CCCc1noc(CCCC(=O)N2CCOc3ccccc3C2)n1 CCC[*:1] O=C(CCCc1nc(no1)[*:1])N1CCOc2ccccc2C1
CCN(CC(C)(C)O)C(=O)N1[C@@H](C(=O)[O-])CS[C@@H]1C1CC1 O=C([O-])[*:1] CCN(CC(C)(C)O)C(=O)N1[C@@H](CS[C@@H]1C1CC1)[*:1]
CCN(CC(C)(C)O)C(=O)N1[C@@H](C(=O)[O-])CS[C@@H]1C1CC1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)N1[C@H](CS[C@@H]1C1CC1)C(=O)[O-]
CCN(CC(C)(C)O)C(=O)N1[C@@H](C(=O)[O-])CS[C@@H]1C1CC1 C1CC1[*:1] CCN(CC(C)(C)O)C(=O)N1[C@H](CS[C@H]1[*:1])C(=O)[O-]
CCN(CC(C)(C)O)C(=O)N1[C@@H](C(=O)[O-])CS[C@@H]1C1CC1 CC(C)(O)C[*:1] CCN(C(=O)N1[C@H](CS[C@@H]1C1CC1)C(=O)[O-])[*:1]
CCOC(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)o1 CCOC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])[C@H]1C[C@H]1c1ccc(F)cc1F
CCOC(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)o1 Fc1ccc(c(F)c1)[*:1] CCOC(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]2[*:1])o1
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCCc3cccc(Cl)c3)C2)CC1 Clc1cccc(c1)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NCC[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCCc3cccc(Cl)c3)C2)CC1 Clc1cccc(c1)C[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NC[*:1]
Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 Cc1cc(Cl)ccc1[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCc2ccccc21
COc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(C)cc1C Clc1ccc(cc1Cl)[*:1] COc1cc(c(C)cc1C)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1oc(S(N)(=O)=O)cc1C(=O)NCc1cccc(OCC(C)C)c1 CC(C)[*:1] Cc1oc(cc1C(=O)NCc1cccc(c1)OC[*:1])S(N)(=O)=O
Cc1oc(S(N)(=O)=O)cc1C(=O)NCc1cccc(OCC(C)C)c1 NS(=O)(=O)[*:1] Cc1oc(cc1C(=O)NCc1cccc(c1)OCC(C)C)[*:1]
Cc1oc(S(N)(=O)=O)cc1C(=O)NCc1cccc(OCC(C)C)c1 CC(C)C[*:1] Cc1oc(cc1C(=O)NCc1cccc(c1)O[*:1])S(N)(=O)=O
Cc1oc(S(N)(=O)=O)cc1C(=O)NCc1cccc(OCC(C)C)c1 CC(C)CO[*:1] Cc1oc(cc1C(=O)NCc1cccc(c1)[*:1])S(N)(=O)=O
COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1C[C@@H]1C(=O)N1CCC(CC1)OC[*:1]
COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)C[*:1] COc1cccc(c1)[C@@H]1C[C@@H]1C(=O)N1CCC(CC1)O[*:1]
COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)CO[*:1] COc1cccc(c1)[C@@H]1C[C@@H]1C(=O)N1CCC(CC1)[*:1]
COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 COc1cccc(c1)[*:1] O=C([C@H]1C[C@H]1[*:1])N1CCC(CC1)OCc1ccc(F)cc1
CCOc1ccc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(C)cc2)cc1 CCO[*:1] Cc1ccc(cc1)N1C(=O)[C@@H]([C@@H]1c1ccc(cc1)[*:1])N1C(=O)c2cccc(c2C1=O)[N+](=O)[O-]
CCOc1ccc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(C)cc2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)[C@H]1[C@H](C(=O)N1c1ccc(C)cc1)N1C(=O)c2cccc(c2C1=O)[*:1]
CCOc1ccc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1[C@H](C(=O)N1[*:1])N1C(=O)c2cccc(c2C1=O)[N+](=O)[O-]
CCOc1ccc([C@H]2[C@@H](N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(C)cc2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)[C@@H]([C@@H]1[*:1])N1C(=O)c2cccc(c2C1=O)[N+](=O)[O-]
NC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c1 NC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21
CCOCc1ccc(NC(=O)c2ccc(OC(C)C)nc2)cc1 CCOC[*:1] CC(C)Oc1ccc(cn1)C(=O)Nc1ccc(cc1)[*:1]
CCOCc1ccc(NC(=O)c2ccc(OC(C)C)nc2)cc1 CC(C)O[*:1] CCOCc1ccc(cc1)NC(=O)c1ccc(nc1)[*:1]
CCOCc1ccc(NC(=O)c2ccc(OC(C)C)nc2)cc1 CC(C)[*:1] CCOCc1ccc(cc1)NC(=O)c1ccc(nc1)O[*:1]
CCOCc1ccc(NC(=O)c2ccc(OC(C)C)nc2)cc1 CCO[*:1] CC(C)Oc1ccc(cn1)C(=O)Nc1ccc(cc1)C[*:1]
CCn1c(=O)c(C)nc2cc(C(=O)Nc3nccs3)ccc21 c1csc(n1)[*:1] CCn1c(=O)c(C)nc2cc(ccc21)C(=O)N[*:1]
COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(OC)c2OC)cc1 COc1cccc(c1OC)[*:1] COC(=O)c1ccc(cc1)NC(=O)N1CCc2nc[nH]c2[C@H]1[*:1]
COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(OC)c2OC)cc1 COC(=O)[*:1] COc1cccc(c1OC)[C@H]1c2[nH]cnc2CCN1C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(OC)c2OC)cc1 COC(=O)c1ccc(cc1)[*:1] COc1cccc(c1OC)[C@H]1c2[nH]cnc2CCN1C(=O)N[*:1]
CC(C)CNc1nnc([S@@](=O)CCc2ccccc2)s1 CC(C)C[*:1] O=[S@@](CCc1ccccc1)c1nnc(N[*:1])s1
CC(C)CNc1nnc([S@@](=O)CCc2ccccc2)s1 CC(C)CN[*:1] O=[S@@](CCc1ccccc1)c1nnc(s1)[*:1]
CC(C)CNc1nnc([S@@](=O)CCc2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)CNc1nnc(s1)[S@@](=O)CC[*:1]
CC(C)CNc1nnc([S@@](=O)CCc2ccccc2)s1 CC(C)[*:1] O=[S@@](CCc1ccccc1)c1nnc(NC[*:1])s1
Cc1ncsc1C(=O)Nc1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ncsc1C(=O)Nc1cnn(c1)[*:1]
Cc1ncsc1C(=O)Nc1cnn(-c2ccccc2F)c1 Cc1ncsc1[*:1] O=C(Nc1cnn(c1)-c1ccccc1F)[*:1]
Cc1ccccc1Cc1nc(Cn2c([N+](=O)[O-])cnc2C)no1 O=[N+]([O-])[*:1] Cc1ccccc1Cc1nc(Cn2c(cnc2C)[*:1])no1
Cc1ccccc1Cc1nc(Cn2c([N+](=O)[O-])cnc2C)no1 Cc1ccccc1[*:1] Cc1ncc(n1Cc1noc(C[*:1])n1)[N+](=O)[O-]
CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12 c1ccc(cc1)[*:1] CCOC(=O)/C(C#N)=C/c1c(nc2ccccn12)[*:1]
CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12 CCOC(=O)[*:1] N#CC(=Cc1c(nc2ccccn12)-c1ccccc1)[*:1]
Cn1ccnc1SCC(=O)Nc1ccc2c(c1)OCCCO2 Cn1ccnc1[*:1] O=C(CS[*:1])Nc1ccc2OCCCOc2c1
Cn1ccnc1SCC(=O)Nc1ccc2c(c1)OCCCO2 Cn1ccnc1S[*:1] O=C(C[*:1])Nc1ccc2OCCCOc2c1
Cc1nnc(S[C@H](C)C(=O)Nc2ccc(CC#N)cc2)n1N N#CC[*:1] Cc1nnc(S[C@H](C)C(=O)Nc2ccc(cc2)[*:1])n1N
Cc1nnc(S[C@H](C)C(=O)Nc2ccc(CC#N)cc2)n1N Cc1nnc(n1N)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(cc1)CC#N
Cc1ccc(C)c(OC2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)OC1CCN(CC1)C(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
Cc1ccc(C)c(OC2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N1CCC(CC1)O[*:1]
Cc1ccc(C)c(OC2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)c1 Cc1ccc(C)c(c1)O[*:1] O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N1CCC(CC1)[*:1]
CCn1c(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n[nH]c1=S CCn1c(n[nH]c1=S)[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[*:1])[N+](=O)[O-]
CCn1c(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n[nH]c1=S O=[N+]([O-])[*:1] CCn1c(CNC(=O)c2c(C)cc(C)c(c2C)[*:1])n[nH]c1=S
CC(C)N(C(=O)c1cc(C2CC2)nc2ccccc12)C(C)C C1CC1[*:1] CC(C)N(C(=O)c1cc(nc2ccccc12)[*:1])C(C)C
CC(C)N(C(=O)c1cc(C2CC2)nc2ccccc12)C(C)C CC(C)[*:1] CC(C)N(C(=O)c1cc(nc2ccccc12)C1CC1)[*:1]
O=C(/C=C/c1ccco1)Oc1ccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 C(=C[*:1])c1ccco1 O=C1N[C@@H](Nc2sc3CCCCc3c21)c1ccc(cc1)OC(=O)[*:1]
O=C(/C=C/c1ccco1)Oc1ccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 c1coc(c1)[*:1] O=C(C=C[*:1])Oc1ccc(cc1)[C@H]1NC(=O)c2c(N1)sc1CCCCc12
O=C(/C=C/c1ccco1)Oc1ccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 O=C(/C=C/c1ccco1)O[*:1] O=C1N[C@@H](Nc2sc3CCCCc3c21)c1ccc(cc1)[*:1]
Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(CC(=O)[O-])cc2n(C)c1=O O=C([O-])[*:1] Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(cc2n(C)c1=O)C[*:1]
Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(CC(=O)[O-])cc2n(C)c1=O Clc1ccc(cc1)[*:1] Cn1c(=O)c2c(n(cc2n(C)c1=O)CC(=O)[O-])[*:1]
Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(CC(=O)[O-])cc2n(C)c1=O O=C([O-])C[*:1] Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(cc2n(C)c1=O)[*:1]
O=C(CSCc1csc(-c2ccco2)n1)NCc1ccccc1 c1coc(c1)[*:1] O=C(CSCc1csc(n1)[*:1])NCc1ccccc1
O=C(CSCc1csc(-c2ccco2)n1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSCc1csc(n1)-c1ccco1)N[*:1]
O=C(CSCc1csc(-c2ccco2)n1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSCc1csc(n1)-c1ccco1)NC[*:1]
Cc1cc(C)c2sc(NC(=O)c3cccc(F)c3)nc2c1 Fc1cccc(c1)[*:1] Cc1cc(C)c2sc(nc2c1)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 C[C@@H](c1ccc(Cl)cc1)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)NCc1ccco1
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N[C@@H](C)[*:1])S(=O)(=O)NCc1ccco1
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 c1coc(c1)[*:1] Cc1ccc(cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1)S(=O)(=O)NC[*:1]
Cc1ccc([C@@H]2CN(Cc3cnn(-c4cccc(F)c4)c3)C[C@H]2[NH+](C)C)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)[C@@H]1CN(Cc2cnn(c2)[*:1])C[C@H]1[NH+](C)C
Cc1ccc([C@@H]2CN(Cc3cnn(-c4cccc(F)c4)c3)C[C@H]2[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CN(Cc2cnn(c2)-c2cccc(F)c2)C[C@H]1[*:1]
Cc1ccc(C(=O)NNC(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)o1 Cc1ccc(o1)[*:1] O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)NNC(=O)[*:1]
C[C@@H](N1CCN(Cc2cccc3c2OCCCO3)CC1)C(F)(F)F FC(F)(F)[*:1] C[C@@H](N1CCN(CC1)Cc1cccc2OCCCOc12)[*:1]
O=Cc1cc(Cl)c2ccccc2c1OCc1nnsc1Cl Clc1snnc1[*:1] O=Cc1cc(Cl)c2ccccc2c1OC[*:1]
O=Cc1cc(Cl)c2ccccc2c1OCc1nnsc1Cl Clc1snnc1C[*:1] O=Cc1cc(Cl)c2ccccc2c1O[*:1]
CC(C)OC(=O)COc1ccc(F)cc1F CC(C)[*:1] O=C(COc1ccc(F)cc1F)O[*:1]
C[C@H](Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
C[C@H](Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](Sc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)S[*:1] C[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ncnc(N)c1C[NH+]1CCC(c2noc(C)n2)CC1 Cc1nc(no1)[*:1] COc1ncnc(N)c1C[NH+]1CCC(CC1)[*:1]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1S(=O)(=O)Oc1ccccc1Cl)[*:1]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1Cl Clc1ccccc1[*:1] COc1ccc(cc1S(=O)(=O)O[*:1])[N+](=O)[O-]
COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 COc1ccc(Cl)cc1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 COc1ccc(Cl)cc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1)[*:1]
COc1ccc(Cl)cc1C(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1C(=O)N1CCN(CC1)S(=O)(=O)C=C[*:1]
Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 C1CCC(CC1)[*:1] Nn1c(nnc1-c1cc([nH]n1)-c1ccc(F)cc1)SCC(=O)N[*:1]
Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 O=C(NC1CCCCC1)[*:1] Nn1c(nnc1-c1cc([nH]n1)-c1ccc(F)cc1)SC[*:1]
Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 Fc1ccc(cc1)[*:1] Nn1c(nnc1-c1cc([nH]n1)[*:1])SCC(=O)NC1CCCCC1
OCCC[C@@H]1CCO[C@@]2(CCOC2)C1 OCC[*:1] C1C[C@@]2(CO1)C[C@@H](CCO2)C[*:1]
OCCC[C@@H]1CCO[C@@]2(CCOC2)C1 OCCC[*:1] C1C[C@@]2(CO1)C[C@@H](CCO2)[*:1]
O=C(CNc1cccc(Cl)c1Cl)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 Clc1cccc(c1Cl)[*:1] O=C(CN[*:1])N(c1ccccc1)[C@H]1CCS(=O)(=O)C1
O=C(CNc1cccc(Cl)c1Cl)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CNc1cccc(Cl)c1Cl)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCOc1ccccc1NS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 CCO[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)Nc1ccccc1[*:1]
Cn1ccc([C@H]([NH3+])Cc2nc3ccccc3n2C)n1 Cn1ccc(n1)[*:1] Cn1c(C[C@@H]([NH3+])[*:1])nc2ccccc21
C[C@H](CNC(=O)/C=C/c1ccc(C(N)=O)cc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)/C=C/c1ccc(cc1)C(N)=O)O[*:1]
C[C@H](CNC(=O)/C=C/c1ccc(C(N)=O)cc1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNC(=O)/C=C/c1ccc(cc1)C(N)=O)[*:1]
C[C@H](CNC(=O)/C=C/c1ccc(C(N)=O)cc1)Oc1ccccc1 NC(=O)[*:1] C[C@H](CNC(=O)/C=C/c1ccc(cc1)[*:1])Oc1ccccc1
CCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 CCCC[*:1] O=C(N1CCC[C@@H](C1)c1[nH]cc[nH+]1)[*:1]
CCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 CCC[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CCC[NH2+][C@@H](Cc1ncnn1C(C)C)[C@H]1CSCCO1 CC(C)[*:1] CCC[NH2+][C@@H](Cc1ncnn1[*:1])[C@H]1CSCCO1
CCC[NH2+][C@@H](Cc1ncnn1C(C)C)[C@H]1CSCCO1 CCC[*:1] CC(C)n1ncnc1C[C@H]([NH2+][*:1])[C@H]1CSCCO1
CCOC(=O)C[C@@H](Br)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)C[C@@H](Br)[*:1]
C[C@@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 c1ccc(cc1)C[*:1] C[C@@H]1CN(C[C@@H](C)O1)C1CCN(CC1)[*:1]
C[C@@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C[*:1]
O=C([O-])c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] O=C([O-])c1cccc(c1)NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@H]1[*:1]
O=C([O-])c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]
Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3ccco3)C2)n1 c1coc(c1)[*:1] Cc1ncc(-c2ccncc2)c(n1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3ccco3)C2)n1 c1cc(ccn1)[*:1] Cc1ncc(c(n1)[C@H]1CCCN(C1)C(=O)c1ccco1)[*:1]
C[C@H](CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)c1cccc(F)c1 Fc1ccc(F)c(c1)[*:1] C[C@H](CC(=O)N1C[C@@H](O)C[C@H]1[*:1])c1cccc(F)c1
C[C@H](CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)[*:1]
COCc1csc(NC(=O)CCCC2CCCC2)n1 C1CCC(C1)[*:1] COCc1csc(n1)NC(=O)CCC[*:1]
COCc1csc(NC(=O)CCCC2CCCC2)n1 C1CCC(C1)C[*:1] COCc1csc(n1)NC(=O)CC[*:1]
COCc1csc(NC(=O)CCCC2CCCC2)n1 COC[*:1] O=C(CCCC1CCCC1)Nc1nc(cs1)[*:1]
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1[nH+]ccn1C O=[N+]([O-])[*:1] C[C@@H](c1cccc(c1)[*:1])N(C)Cc1[nH+]ccn1C
Cc1cccc([C@H]2CCCN(C(=O)c3coc(CN4CCOCC4)c3)C2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@H]1CCCN(C1)C(=O)c1coc(c1)C[*:1]
Cc1cccc([C@H]2CCCN(C(=O)c3coc(CN4CCOCC4)c3)C2)c1 C1CN(CCO1)C[*:1] Cc1cccc(c1)[C@H]1CCCN(C1)C(=O)c1coc(c1)[*:1]
Cc1cccc([C@H]2CCCN(C(=O)c3coc(CN4CCOCC4)c3)C2)c1 Cc1cccc(c1)[*:1] O=C(c1coc(c1)CN1CCOCC1)N1CCC[C@@H](C1)[*:1]
CC(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O c1ccc(cc1)[*:1] CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)C[*:1]
CC(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O c1ccc(cc1)C[*:1] CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)[*:1]
O=C(Nc1c(-c2cccs2)nc2ccccn12)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1c(nc2ccccn12)-c1cccs1)[*:1]
O=C(Nc1c(-c2cccs2)nc2ccccn12)c1cccc(F)c1 c1csc(c1)[*:1] O=C(Nc1c(nc2ccccn12)[*:1])c1cccc(F)c1
CC(C)S(=O)(=O)[C@H](C)C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 CC(C)S(=O)(=O)[*:1] C[C@H](C(=O)N1CC[C@H](C1)Oc1cccc(Cl)c1)[*:1]
CC(C)S(=O)(=O)[C@H](C)C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC(C)S(=O)(=O)[C@H](C)C(=O)N1CC[C@H](C1)O[*:1]
CC(C)S(=O)(=O)[C@H](C)C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 CC(C)[*:1] C[C@H](C(=O)N1CC[C@H](C1)Oc1cccc(Cl)c1)S(=O)(=O)[*:1]
C[C@H](C#N)C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 C[C@H](C#N)[*:1] CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C1)[NH2+]C[*:1]
C[C@H](C#N)C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H](C1)NC(=O)O[*:1]
Cn1ncc2c1N=C(O)C[C@H]2c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cn1ncc2c1N=C(O)C[C@H]2c1ccc(cc1)[*:1]
COc1cc([C@@H](C)[NH2+][C@@H](C)c2c(C)noc2C)ccc1O Cc1noc(C)c1[*:1] COc1cc(ccc1O)[C@@H](C)[NH2+][C@@H](C)[*:1]
C[C@@](O)(CNC(=O)C1(c2ccc(F)cc2F)CCCC1)c1cccs1 Fc1ccc(c(F)c1)[*:1] C[C@@](O)(CNC(=O)C1(CCCC1)[*:1])c1cccs1
C[C@@](O)(CNC(=O)C1(c2ccc(F)cc2F)CCCC1)c1cccs1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)C1(CCCC1)c1ccc(F)cc1F)[*:1]
Cn1cc(-c2nc(C(=O)NCCCc3nc(-c4ccncc4)cs3)cs2)cn1 Cn1cc(cn1)[*:1] O=C(NCCCc1nc(cs1)-c1ccncc1)c1csc(n1)[*:1]
Cn1cc(-c2nc(C(=O)NCCCc3nc(-c4ccncc4)cs3)cs2)cn1 c1cc(ccn1)[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)NCCCc1nc(cs1)[*:1]
CC[C@H](C#N)CNc1nc(Cl)nc(NC(C)C)n1 CC(C)[*:1] CC[C@H](C#N)CNc1nc(Cl)nc(n1)N[*:1]
CC[C@H](C#N)CNc1nc(Cl)nc(NC(C)C)n1 CC(C)N[*:1] CC[C@H](C#N)CNc1nc(Cl)nc(n1)[*:1]
CCc1nc(-c2ccccn2)cc(N2CCCC[C@@H]2C(=O)[O-])n1 O=C([O-])[*:1] CCc1nc(cc(n1)N1CCCC[C@H]1[*:1])-c1ccccn1
CCc1nc(-c2ccccn2)cc(N2CCCC[C@@H]2C(=O)[O-])n1 c1ccc(nc1)[*:1] CCc1nc(cc(n1)[*:1])N1CCCC[C@@H]1C(=O)[O-]
COc1ccc(CCNC(=O)/C(=N/O)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CCNC(=O)/C(=N/O)[*:1]
C#CCN1CCC(C(=O)NNc2nc(-c3ccncc3)no2)CC1 C#CC[*:1] O=C(NNc1nc(no1)-c1ccncc1)C1CCN(CC1)[*:1]
C#CCN1CCC(C(=O)NNc2nc(-c3ccncc3)no2)CC1 c1cc(ccn1)[*:1] C#CCN1CCC(CC1)C(=O)NNc1nc(no1)[*:1]
CCn1nc(C)c(NC(=O)Nc2cccc(COC(C)C)c2)c1C CC(C)O[*:1] CCn1nc(C)c(NC(=O)Nc2cccc(c2)C[*:1])c1C
CCn1nc(C)c(NC(=O)Nc2cccc(COC(C)C)c2)c1C CC(C)OC[*:1] CCn1nc(C)c(NC(=O)Nc2cccc(c2)[*:1])c1C
CCn1nc(C)c(NC(=O)Nc2cccc(COC(C)C)c2)c1C CC(C)[*:1] CCn1nc(C)c(NC(=O)Nc2cccc(c2)CO[*:1])c1C
C[C@@H](Oc1cccc(Br)c1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1cccc(Br)c1)C(=O)[*:1]
CC(C)n1nccc1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)n1nccc1NC(=O)[C@@H](C)NC(=O)O[*:1]
CC(C)n1nccc1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C CC(C)[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[*:1]
COCCOC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](c1ccccc1)C3 COCC[*:1] O=C(Cc1nc2sc3C[C@H](CCc3c2c(=O)[nH]1)c1ccccc1)O[*:1]
COCCOC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](c1ccccc1)C3 COCCOC(=O)C[*:1] O=c1[nH]c(nc2sc3C[C@H](CCc3c12)c1ccccc1)[*:1]
COCCOC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](c1ccccc1)C3 COCCOC(=O)[*:1] O=c1[nH]c(C[*:1])nc2sc3C[C@H](CCc3c12)c1ccccc1
COCCOC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](c1ccccc1)C3 c1ccc(cc1)[*:1] COCCOC(=O)Cc1nc2sc3C[C@@H](CCc3c2c(=O)[nH]1)[*:1]
COCCOC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](c1ccccc1)C3 COC[*:1] O=C(Cc1nc2sc3C[C@H](CCc3c2c(=O)[nH]1)c1ccccc1)OC[*:1]
CNC(=O)C1CCN(C(=O)c2nc(C(C)(C)C)n[nH]2)CC1 CC(C)(C)[*:1] CNC(=O)C1CCN(CC1)C(=O)c1nc(n[nH]1)[*:1]
CNC(=O)C1CCN(C(=O)c2nc(C(C)(C)C)n[nH]2)CC1 CNC(=O)[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)N1CCC(CC1)[*:1]
CCc1ccc([C@@H](CO)NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)[C@H]1C[C@H]1[*:1]
CCOc1ccc2nc(NC3=NCN(CCc4cccs4)CN3)nc(C)c2c1 c1csc(c1)C[*:1] CCOc1ccc2nc(nc(C)c2c1)NC1=NCN(CN1)C[*:1]
CCOc1ccc2nc(NC3=NCN(CCc4cccs4)CN3)nc(C)c2c1 CCO[*:1] Cc1nc(nc2ccc(cc12)[*:1])NC1=NCN(CCc2cccs2)CN1
CCOc1ccc2nc(NC3=NCN(CCc4cccs4)CN3)nc(C)c2c1 c1csc(c1)CC[*:1] CCOc1ccc2nc(nc(C)c2c1)NC1=NCN(CN1)[*:1]
CCOc1ccc2nc(NC3=NCN(CCc4cccs4)CN3)nc(C)c2c1 c1csc(c1)[*:1] CCOc1ccc2nc(nc(C)c2c1)NC1=NCN(CC[*:1])CN1
C[C@@H](CCO)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O C[C@@H](CCO)[*:1] O=C(NC[*:1])[C@H]1CCCN1C(=O)c1ccccc1O
C[C@@H](CCO)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O OCC[*:1] C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O)[*:1]
C[C@@H](CCO)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O C[C@@H](CCO)C[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1ccccc1O
C[C@@H](CCO)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O Oc1ccccc1[*:1] C[C@@H](CCO)CNC(=O)[C@H]1CCCN1C(=O)[*:1]
CC[NH2+]C[C@](CC)(c1ccccc1)[C@@H](C)CC CC[C@H](C)[*:1] CC[NH2+]C[C@](CC)(c1ccccc1)[*:1]
CCc1n[nH]c(C(=O)NC[C@H](CC)C(=O)[O-])n1 O=C([O-])[*:1] CCc1n[nH]c(n1)C(=O)NC[C@H](CC)[*:1]
C=CC[NH+](CC(=O)[O-])Cc1nnc(-c2ccc(C)cc2)o1 O=C([O-])[*:1] C=CC[NH+](Cc1nnc(o1)-c1ccc(C)cc1)C[*:1]
C=CC[NH+](CC(=O)[O-])Cc1nnc(-c2ccc(C)cc2)o1 Cc1ccc(cc1)[*:1] C=CC[NH+](CC(=O)[O-])Cc1nnc(o1)[*:1]
CC(C)(C)NC(=O)c1ccc(COCC(F)(F)C(F)F)cc1 CC(C)(C)[*:1] O=C(N[*:1])c1ccc(cc1)COCC(F)(F)C(F)F
CC(C)(C)NC(=O)c1ccc(COCC(F)(F)C(F)F)cc1 FC(F)[*:1] CC(C)(C)NC(=O)c1ccc(cc1)COCC(F)(F)[*:1]
CC(C)(C)NC(=O)c1ccc(COCC(F)(F)C(F)F)cc1 CC(C)(C)NC(=O)[*:1] FC(F)C(F)(F)COCc1ccc(cc1)[*:1]
CC(C)(C)NC(=O)c1ccc(COCC(F)(F)C(F)F)cc1 FC(F)C(F)(F)C[*:1] CC(C)(C)NC(=O)c1ccc(cc1)CO[*:1]
CC(C)(C)NC(=O)c1ccc(COCC(F)(F)C(F)F)cc1 FC(F)C(F)(F)[*:1] CC(C)(C)NC(=O)c1ccc(cc1)COC[*:1]
CC[C@H](COC)NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 COC[*:1] CC[C@H](NC(=O)[C@H]1CCCN(C1)C(=O)NCC(C)C)[*:1]
CC[C@H](COC)NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 CC(C)[*:1] CC[C@H](COC)NC(=O)[C@H]1CCCN(C1)C(=O)NC[*:1]
CC[C@H](COC)NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 CC(C)C[*:1] CC[C@H](COC)NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CC[C@H](COC)NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 CC[C@H](COC)[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCc1ccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)s1 CCc1ccc(s1)[*:1] C[C@]1(CCS(=O)(=O)C1)NNC(=O)NC[*:1]
CCO[C@H](C)/C(N)=N/OCc1ncoc1C(C)C CCO[C@H](C)[*:1] CC(C)c1ocnc1CO/N=C(\N)[*:1]
CCO[C@H](C)/C(N)=N/OCc1ncoc1C(C)C CC(C)[*:1] CCO[C@H](C)/C(N)=N/OCc1ncoc1[*:1]
CCO[C@H](C)/C(N)=N/OCc1ncoc1C(C)C CCO[*:1] CC(C)c1ocnc1CO/N=C(\N)[C@@H](C)[*:1]
O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc(Br)nc1 O=C([O-])[*:1] O=C(c1ccc(Br)nc1)N1CCSC[C@@H]1C[*:1]
O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc(Br)nc1 O=C([O-])C[*:1] O=C(c1ccc(Br)nc1)N1CCSC[C@@H]1[*:1]
O=C(Nc1cccc(Oc2cnccn2)c1)c1csc2cncn12 c1cnc(cn1)O[*:1] O=C(Nc1cccc(c1)[*:1])c1csc2cncn12
O=C(Nc1cccc(Oc2cnccn2)c1)c1csc2cncn12 c1cnc(cn1)[*:1] O=C(Nc1cccc(c1)O[*:1])c1csc2cncn12
CN1CCN(S(=O)(=O)N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)CC1 c1cnn(c1)[*:1] CN1CCN(CC1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1]
COCC[NH2+]CC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-] COC[*:1] CO[C@@H]1C[C@H](C(=O)[O-])N(C1)C(=O)C[NH2+]C[*:1]
COCC[NH2+]CC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-] COCC[*:1] CO[C@@H]1C[C@H](C(=O)[O-])N(C1)C(=O)C[NH2+][*:1]
COCC[NH2+]CC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] COCC[NH2+]CC(=O)N1C[C@@H](C[C@H]1[*:1])OC
CSc1ccc(C(=O)O[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CSc1ccc(cc1[*:1])C(=O)O[C@H](C)c1cc2ccccc2o1
COc1ccc(CS(=O)(=O)CC(=O)NC(C)(C)C)c(Cl)c1 CC(C)(C)NC(=O)[*:1] COc1ccc(CS(=O)(=O)C[*:1])c(Cl)c1
COc1ccc(CS(=O)(=O)CC(=O)NC(C)(C)C)c(Cl)c1 CC(C)(C)[*:1] COc1ccc(CS(=O)(=O)CC(=O)N[*:1])c(Cl)c1
CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(N)=O)C12CCC2 NC(=O)[*:1] CCO[C@@H]1C[C@H](Nc2ccc(cc2[*:1])[N+](=O)[O-])C12CCC2
CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(N)=O)C12CCC2 O=[N+]([O-])[*:1] CCO[C@@H]1C[C@H](Nc2ccc(cc2C(N)=O)[*:1])C12CCC2
CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(N)=O)C12CCC2 CCO[*:1] NC(=O)c1cc(ccc1N[C@H]1C[C@H](C12CCC2)[*:1])[N+](=O)[O-]
Cc1nnc(CN(C)C(=O)Nc2cccc(C#N)c2)n1C Cc1nnc(n1C)[*:1] CN(C[*:1])C(=O)Nc1cccc(C#N)c1
O=C1N=C([O-])[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]12 c1ccc(cc1)[*:1] O=C1N=C([O-])[C@H]2ON(c3ccccc3)[C@@H]([C@@H]12)[*:1]
O=C1N=C([O-])[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]12 c1ccc(cc1)[*:1] O=C1N=C([O-])[C@H]2ON([C@@H](c3ccccc3)[C@@H]12)[*:1]
Cc1cc(NC(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)no1 Cc1cc(no1)[*:1] O=C(NNC(=O)N[*:1])Nc1ccc(Cl)cc1Cl
CNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 CNC(=O)C(C#N)=C[*:1] O=S(=O)(NCc1ccc(o1)[*:1])c1ccc(Cl)cc1
CNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] CNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)[*:1])o1
CNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 CNC(=O)[*:1] N#CC(=Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)[*:1]
O=C(CCc1nc[nH]n1)Nc1cc(C2CCCCCC2)[nH]n1 c1nc(CC[*:1])n[nH]1 O=C(Nc1cc([nH]n1)C1CCCCCC1)[*:1]
O=C(CCc1nc[nH]n1)Nc1cc(C2CCCCCC2)[nH]n1 C1CCCC(CC1)[*:1] O=C(CCc1nc[nH]n1)Nc1cc([nH]n1)[*:1]
C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1F)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1F)[*:1]
CC(C)(C)c1ccc(C2(C(=O)[C@@H](C#N)c3ccc(F)cn3)CC2)cc1 CC(C)(C)[*:1] N#C[C@H](C(=O)C1(CC1)c1ccc(cc1)[*:1])c1ccc(F)cn1
CC(C)(C)c1ccc(C2(C(=O)[C@@H](C#N)c3ccc(F)cn3)CC2)cc1 Fc1ccc(nc1)[*:1] CC(C)(C)c1ccc(cc1)C1(CC1)C(=O)[C@@H](C#N)[*:1]
CNc1ncc(C(=O)N2CCC[C@](CO)(CC=C(C)C)C2)cn1 CC(C)=C[*:1] CNc1ncc(cn1)C(=O)N1CCC[C@@](CO)(C1)C[*:1]
CNc1ncc(C(=O)N2CCC[C@](CO)(CC=C(C)C)C2)cn1 CC(C)=CC[*:1] CNc1ncc(cn1)C(=O)N1CCC[C@](CO)(C1)[*:1]
C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(CC1)[*:1]
O=C(c1ccc(F)c(F)c1)N1CCN=C1SCc1ccc(F)cc1 Fc1ccc(cc1F)[*:1] O=C(N1CCN=C1SCc1ccc(F)cc1)[*:1]
O=C(c1ccc(F)c(F)c1)N1CCN=C1SCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(c1ccc(F)c(F)c1)N1CCN=C1S[*:1]
O=C(c1ccc(F)c(F)c1)N1CCN=C1SCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(c1ccc(F)c(F)c1)N1CCN=C1SC[*:1]
O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1 Clc1ccccc1[*:1] O=C(NC[C@H]1OCCN1S(=O)(=O)c1ccccc1)C(=O)NC[*:1]
O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)[*:1]
O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1 Clc1ccccc1C[*:1] O=C(NC[C@H]1OCCN1S(=O)(=O)c1ccccc1)C(=O)N[*:1]
Cc1cncc(NC(=O)C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] Cc1cncc(c1)NC(=O)C(=O)N(C)Cc1cccc(c1)[*:1]
Cc1cncc(NC(=O)C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1 Cc1cncc(c1)[*:1] CN(Cc1cccc(c1)C(F)(F)F)C(=O)C(=O)N[*:1]
Cc1cc2c(NCc3ccc(OC(C)C)nc3)ncnc2s1 CC(C)[*:1] Cc1cc2c(ncnc2s1)NCc1ccc(nc1)O[*:1]
Cc1cc2c(NCc3ccc(OC(C)C)nc3)ncnc2s1 CC(C)O[*:1] Cc1cc2c(ncnc2s1)NCc1ccc(nc1)[*:1]
Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 Cc1ccc(Cl)cc1[*:1] O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)N[*:1]
Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1[*:1]
Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1NC(=O)[*:1]
COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 O=[N+]([O-])[*:1] COC(=O)c1cc(ccc1Sc1nc(C)cs1)[*:1]
COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 Cc1csc(n1)[*:1] COC(=O)c1cc(ccc1S[*:1])[N+](=O)[O-]
COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 COC(=O)[*:1] Cc1csc(n1)Sc1ccc(cc1[*:1])[N+](=O)[O-]
CC(C)(C)c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)(C)c1nnc(NC(=O)CCS(=O)(=O)[*:1])s1
CC(C)(C)c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1 CC(C)(C)[*:1] O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(s1)[*:1]
COc1ccc([C@@H]([NH3+])[C@](C)(C(N)=O)C(=O)[O-])cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)[C@@H]([NH3+])[C@](C)(C(N)=O)[*:1]
COc1ccc([C@@H]([NH3+])[C@](C)(C(N)=O)C(=O)[O-])cc1OC NC(=O)[*:1] COc1ccc(cc1OC)[C@@H]([NH3+])[C@](C)(C(=O)[O-])[*:1]
Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1N/C(=C/c2cccn2[*:1])C(=O)N1c1ccc(Cl)cc1
Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1cccc1/C=C1/NC(=O)N(C1=O)[*:1]
O=C(Cc1cc(F)ccc1F)NCC(=O)Nc1cccc2ccccc12 Fc1ccc(F)c(c1)[*:1] O=C(C[*:1])NCC(=O)Nc1cccc2ccccc12
CCc1nn(C)c(CC)c1CNC(=O)Nc1cc(C2CCC2)nn1C C1CC(C1)[*:1] CCc1nn(C)c(CC)c1CNC(=O)Nc1cc(nn1C)[*:1]
O=C(OC[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1Cc2ccccc2S1 C1CC1[*:1] O=C(OC[C@H]1CC(=O)N(C1)[*:1])[C@@H]1Cc2ccccc2S1
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] N#CC1=C(N)OC2CCCC(=O)C=2[C@@H]1c1ccc(o1)[*:1]
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1csc2c1CCCC2 c1sc2CCCCc2c1[*:1] Cc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCCCC1
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1csc2c1CCCC2 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1NC(=O)c1csc2CCCCc12)[*:1]
O=C(CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCCC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Nc1ccccc1C[NH+]1CCCC1)C(=O)N[*:1]
O=C(CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCCC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1C[NH+]1CCCC1
O=C(CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCCC1)NC1CC1 C1CC1[*:1] O=C(CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCCC1)N[*:1]
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)/N=C1\CCCCCN1
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)S(=O)(=O)/N=C1\CCCCCN1
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)cc1 Cc1ccc(cc1)OC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)/N=C1\CCCCCN1)[*:1]
COc1cccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)C(=O)N(Cc1ccc(Cl)cc1)[*:1]
COc1cccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N(C[*:1])C1CC1
CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)C1 CCc1ccccc1[*:1] Cc1cc2NC(=O)[C@H](C)Oc2cc1S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)C1 CCc1ccccc1NC(=O)[*:1] Cc1cc2NC(=O)[C@H](C)Oc2cc1S(=O)(=O)N1CCC[C@H](C1)[*:1]
NC(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2)CC(F)(F)F)C1 FC(F)(F)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N(Cc1ccccc1)C[*:1]
NC(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2)CC(F)(F)F)C1 FC(F)(F)C[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N(Cc1ccccc1)[*:1]
NC(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2)CC(F)(F)F)C1 c1ccc(cc1)C[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N(CC(F)(F)F)[*:1]
NC(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2)CC(F)(F)F)C1 c1ccc(cc1)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N(CC(F)(F)F)C[*:1]
Cc1cc(N)cc(C)c1S(=O)(=O)N1CCC[C@@H]1C(C)C CC(C)[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)N1CCC[C@H]1[*:1]
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2c(C)noc2C)c(C)c1 Cc1noc(C)c1[*:1] Cc1cc(C)c(NNC(=O)N[C@@H](C)[*:1])c(C)c1
Cc1cc(OC(F)F)c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)s1 FC(F)O[*:1] Cc1cc(c(s1)C(=O)NC[C@H](C)Cn1cc[nH+]c1)[*:1]
Cc1cc(OC(F)F)c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)s1 FC(F)[*:1] Cc1cc(O[*:1])c(s1)C(=O)NC[C@H](C)Cn1cc[nH+]c1
C[C@H](c1cccnc1)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 C[C@H](c1cccnc1)[*:1] CN(C(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)c(Cl)c1)[*:1]
C[C@H](c1cccnc1)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 c1cncc(c1)[*:1] C[C@H](N(C)C(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)c(Cl)c1)[*:1]
C[C@H](c1cccnc1)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 Clc1ccc(cc1Cl)[*:1] C[C@H](c1cccnc1)N(C)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2cc(OC)ccc2OC)N2NN=NC2=N1 COC(=O)[*:1] COc1ccc(OC)c(c1)[C@H]1C(C(=O)c2ccccc2)=C(N=C2N=NNN21)[*:1]
COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2cc(OC)ccc2OC)N2NN=NC2=N1 c1ccc(cc1)[*:1] COC(=O)C1N=C2N=NNN2[C@H](C=1C(=O)[*:1])c1cc(ccc1OC)OC
COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2cc(OC)ccc2OC)N2NN=NC2=N1 COc1ccc(OC)c(c1)[*:1] COC(=O)C1N=C2N=NNN2[C@@H](C=1C(=O)c1ccccc1)[*:1]
COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2cc(OC)ccc2OC)N2NN=NC2=N1 O=C(c1ccccc1)[*:1] COC(=O)C1N=C2N=NNN2[C@H](C=1[*:1])c1cc(ccc1OC)OC
CC[C@](C)(NC(=O)c1cc(C)c(Br)s1)C(N)=S NC(=S)[*:1] CC[C@](C)(NC(=O)c1cc(C)c(Br)s1)[*:1]
CON(C)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c12 c1ccc(cc1)[*:1] CON(C)c1nc(C[NH+](C)C)nc2scc(c12)[*:1]
CON(C)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c12 CON(C)[*:1] C[NH+](C)Cc1nc(c2c(csc2n1)-c1ccccc1)[*:1]
CCC[NH2+][C@@H](CC(C)C)[C@H]1CCO[C@]2(CCSC2)C1 CC(C)[*:1] CCC[NH2+][C@@H](C[*:1])[C@H]1CCO[C@]2(CCSC2)C1
CCC[NH2+][C@@H](CC(C)C)[C@H]1CCO[C@]2(CCSC2)C1 CC(C)C[*:1] CCC[NH2+][C@@H]([C@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCC[NH2+][C@@H](CC(C)C)[C@H]1CCO[C@]2(CCSC2)C1 CCC[*:1] CC(C)C[C@H]([NH2+][*:1])[C@H]1CCO[C@]2(CCSC2)C1
COc1ccc(Cl)cc1C[C@H](O)[C@@H](C)OC CO[C@H](C)[*:1] COc1ccc(Cl)cc1C[C@H](O)[*:1]
C[C@@H](c1ccco1)N(C(=O)NCC(=O)N1CCc2ccccc2C1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)NCC(=O)N1CCc2ccccc2C1)C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)NCC(=O)N1CCc2ccccc2C1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)NCC(=O)N1CCc2ccccc2C1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)[C@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)[C@H]1CCN(C1)C(=O)OC(C)(C)C
CC(C)N(C[C@H]1CCCCO1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)[C@H]1CCN(C1)C(=O)O[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)N(C[C@H]1CCCCO1)[*:1]
Cc1cscc1[C@@H](O)[C@@H]1CCOC2(CCCC2)C1 Cc1cscc1[*:1] O[C@@H]([C@@H]1CCOC2(CCCC2)C1)[*:1]
C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccc(-n2cncn2)cc1 Oc1cccc(c1)C[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-n1cncn1
C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccc(-n2cncn2)cc1 Oc1cccc(c1)[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-n1cncn1
CC(C)(NC(=O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(NC(=O)COCC1CC1)c1ccc(cc1)[*:1]
CC(C)(NC(=O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 C1CC1CO[*:1] CC(C)(NC(=O)C[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)(NC(=O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 C1CC1COC[*:1] CC(C)(NC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)(NC(=O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 C1CC1C[*:1] CC(C)(NC(=O)CO[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)(NC(=O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 C1CC1[*:1] CC(C)(NC(=O)COC[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1nc(CC(=O)N2CCC[C@@H]2c2nc3c(C)cccc3[nH]2)cs1 Cc1nc(cs1)C[*:1] Cc1cccc2[nH]c(nc12)[C@H]1CCCN1C(=O)[*:1]
Cc1nc(CC(=O)N2CCC[C@@H]2c2nc3c(C)cccc3[nH]2)cs1 Cc1nc(cs1)[*:1] Cc1cccc2[nH]c(nc12)[C@H]1CCCN1C(=O)C[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)CSc1nnc(C)n1[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)CSc1nnc(C)n1C[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)n(n1)[*:1]
CNC(=O)c1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 c1csc(c1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)CN1CCc2sccc2[C@H]1[*:1]
CNC(=O)c1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 CNC(=O)[*:1] O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(cc1)[*:1]
CC(C)(C)C1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1N1CCOCC1)N1CCOCC1)C1CCC(CC1)[*:1]
CC(C)(C)C1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] CC(C)(C)C1CCC(CC1)C(=O)Nc1ccc(cc1[*:1])N1CCOCC1
CC(C)(C)C1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1 CC(C)(C)C1CCC(CC1)[*:1] O=C(Nc1ccc(cc1N1CCOCC1)N1CCOCC1)[*:1]
CC(C)(C)C1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] CC(C)(C)C1CCC(CC1)C(=O)Nc1ccc(cc1N1CCOCC1)[*:1]
C[C@H](NC(=O)c1ccccc1-n1cnnn1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@H](NC(=O)c1ccccc1-n1cnnn1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1ccccc1-n1cnnn1)c1ccc(N2CCCC2=O)cc1 c1nnnn1[*:1] C[C@H](NC(=O)c1ccccc1[*:1])c1ccc(cc1)N1CCCC1=O
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 C[C@@H](C(=O)NC1CC1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)[*:1])C(C)(C)C[NH+](C)C
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 O=C(NC1CC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[*:1]
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 C1CC1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C
c1ccc(-n2cc(CNc3cnc4ccccc4n3)nn2)cc1 c1ccc(cc1)[*:1] c1ccc2nc(cnc2c1)NCc1cn(nn1)[*:1]
O=C([O-])c1cc2c(nc1SC[C@@H](O)CO)CCC2 OC[C@H](O)C[*:1] O=C([O-])c1cc2CCCc2nc1S[*:1]
O=C([O-])c1cc2c(nc1SC[C@@H](O)CO)CCC2 OC[C@H](O)CS[*:1] O=C([O-])c1cc2CCCc2nc1[*:1]
O=C([O-])c1cc2c(nc1SC[C@@H](O)CO)CCC2 OC[C@H](O)[*:1] O=C([O-])c1cc2CCCc2nc1SC[*:1]
O=C([O-])c1cc2c(nc1SC[C@@H](O)CO)CCC2 O=C([O-])[*:1] OC[C@H](O)CSc1nc2CCCc2cc1[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1cnc2ccccc2c1 CC(C)[*:1] C[C@@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1cnc2ccccc2c1 CC(C)[C@@H](C)[*:1] O=C(Nc1cnc2ccccc2c1)C(=O)N[*:1]
Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(c2cc[nH+]cc2)CC1 c1cc(cc[nH+]1)[*:1] Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(CC1)[*:1]
CC[C@](C)(NC(=O)NC[C@@H](C)[NH+](C)C)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)NC[C@@H](C)[NH+](C)C)[*:1]
COCc1cc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)no1 COC[*:1] Cc1ccc(o1)[C@@H](CNC(=O)c1cc(on1)[*:1])[NH+]1CCCC1
COCc1cc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)no1 Cc1ccc(o1)[*:1] COCc1cc(no1)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
COCc1cc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)no1 COCc1cc(no1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)[*:1])[NH+]1CCCC1
C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cccc(F)c2Cl)C1=O N#Cc1cccc(c1)[*:1] C[C@@]1(NC(=O)N(Cc2cccc(F)c2Cl)C1=O)[*:1]
C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cccc(F)c2Cl)C1=O Fc1cccc(c1Cl)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1cccc(C#N)c1
COC(=O)c1cccnc1N[C@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] COC(=O)c1cccnc1N[C@](C)(C(=O)[O-])[*:1]
COC(=O)c1cccnc1N[C@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] COC(=O)c1cccnc1N[C@](C)(C(F)(F)F)[*:1]
COC(=O)c1cccnc1N[C@](C)(C(=O)[O-])C(F)(F)F COC(=O)[*:1] C[C@@](Nc1ncccc1[*:1])(C(=O)[O-])C(F)(F)F
CC(=O)N[C@@H](C)C(=O)Nc1nc(-c2cccnc2)cs1 CC(=O)N[*:1] C[C@@H](C(=O)Nc1nc(cs1)-c1cccnc1)[*:1]
CC(=O)N[C@@H](C)C(=O)Nc1nc(-c2cccnc2)cs1 CC(=O)N[C@@H](C)[*:1] O=C(Nc1nc(cs1)-c1cccnc1)[*:1]
CC(=O)N[C@@H](C)C(=O)Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] CC(=O)N[C@@H](C)C(=O)Nc1nc(cs1)[*:1]
COc1ccc(-c2ccc([C@H](C)N3CCOCC3)cc2)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(-c2ccc(cc2)[C@H](C)N2CCOCC2)c(c1)[*:1]
COc1ccc(-c2ccc([C@H](C)N3CCOCC3)cc2)c(C(=O)[O-])c1 C1CN(CCO1)[*:1] COc1ccc(-c2ccc(cc2)[C@H](C)[*:1])c(c1)C(=O)[O-]
COc1ccc(-c2ccc([C@H](C)N3CCOCC3)cc2)c(C(=O)[O-])c1 C[C@H](N1CCOCC1)[*:1] COc1ccc(-c2ccc(cc2)[*:1])c(c1)C(=O)[O-]
CC[NH+](Cc1ccccn1)Cc1cc(C=O)ccc1OC c1ccc(C[*:1])nc1 CC[NH+](Cc1cc(C=O)ccc1OC)[*:1]
CC[NH+](Cc1ccccn1)Cc1cc(C=O)ccc1OC c1ccc(nc1)[*:1] CC[NH+](Cc1cc(C=O)ccc1OC)C[*:1]
O=C(Nc1nnc(C2CC2)s1)C1CCN(c2nc3ccccc3o2)CC1 C1CC1c1nnc(s1)[*:1] O=C(N[*:1])C1CCN(CC1)c1nc2ccccc2o1
O=C(Nc1nnc(C2CC2)s1)C1CCN(c2nc3ccccc3o2)CC1 C1CC1[*:1] O=C(Nc1nnc(s1)[*:1])C1CCN(CC1)c1nc2ccccc2o1
Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)N[C@@H]2CCN(C2=O)[*:1])c(C)c1
CCOc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2)c1 CCOc1cccc(c1)[*:1] O=C(Nc1ccccc1C(=O)NC[*:1])c1ccccc1
CCOc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2)c1 CCO[*:1] O=C(Nc1ccccc1C(=O)NCc1cccc(c1)[*:1])c1ccccc1
CCOc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)CNC(=O)c1ccccc1NC(=O)[*:1]
CCOc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2)c1 O=C(N[*:1])c1ccccc1 CCOc1cccc(c1)CNC(=O)c1ccccc1[*:1]
Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1cccc(Cl)c1Cl
CO[C@@H]1CN[C@@H](O[C@@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c2cc(Cl)ccc21 O=C([O-])[*:1] CO[C@@H]1CN[C@@H](O[C@@H]2C[C@@H](N(C2)C(=O)OC(C)(C)C)[*:1])c2cc(Cl)ccc21
CO[C@@H]1CN[C@@H](O[C@@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c2cc(Cl)ccc21 CC(C)(C)[*:1] CO[C@@H]1CN[C@@H](O[C@@H]2C[C@@H](C(=O)[O-])N(C2)C(=O)O[*:1])c2cc(Cl)ccc21
CN[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1F c1cncc(c1)[*:1] CN[C@@H](c1cccc(c1F)C(F)(F)F)[*:1]
CN[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] CN[C@@H](c1cccnc1)c1cccc(c1F)[*:1]
CC(C)CN1N[C@H](C)c2cc(C(=O)NCCCc3[nH]nc(N)c3C#N)sc21 N#Cc1c(N)n[nH]c1C[*:1] CC(C)CN1N[C@H](C)c2cc(sc21)C(=O)NCC[*:1]
CC(C)CN1N[C@H](C)c2cc(C(=O)NCCCc3[nH]nc(N)c3C#N)sc21 CC(C)C[*:1] C[C@H]1NN(c2sc(cc21)C(=O)NCCCc1[nH]nc(N)c1C#N)[*:1]
CC(C)CN1N[C@H](C)c2cc(C(=O)NCCCc3[nH]nc(N)c3C#N)sc21 CC(C)[*:1] C[C@H]1NN(C[*:1])c2sc(cc21)C(=O)NCCCc1[nH]nc(N)c1C#N
CC(C)CN1N[C@H](C)c2cc(C(=O)NCCCc3[nH]nc(N)c3C#N)sc21 N#Cc1c(N)n[nH]c1[*:1] CC(C)CN1N[C@H](C)c2cc(sc21)C(=O)NCCC[*:1]
COc1cccc(NC(=O)CNC(=O)c2ccco2)c1 c1coc(c1)[*:1] COc1cccc(c1)NC(=O)CNC(=O)[*:1]
CCC(C)(C)NC(=O)C[NH2+]C1(c2nc(C)cs2)CCCC1 CCC(C)(C)[*:1] Cc1csc(n1)C1(CCCC1)[NH2+]CC(=O)N[*:1]
CCC(C)(C)NC(=O)C[NH2+]C1(c2nc(C)cs2)CCCC1 Cc1csc(n1)[*:1] CCC(C)(C)NC(=O)C[NH2+]C1(CCCC1)[*:1]
COc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)cc1 COc1ccc(cc1)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ccccc1C(F)(F)F
COc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C(=O)Nc1cc(C)nn1-c1ccccc1[*:1]
COC1CCN(c2ccc(C(F)(F)F)cc2C(N)=[NH2+])CC1 NC(=[NH2+])[*:1] COC1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
COC1CCN(c2ccc(C(F)(F)F)cc2C(N)=[NH2+])CC1 FC(F)(F)[*:1] COC1CCN(CC1)c1ccc(cc1C(N)=[NH2+])[*:1]
C/C=C(\C)C(=O)N(C)c1ccccc1C(=O)c1ccccc1 CC=C(C)[*:1] CN(C(=O)[*:1])c1ccccc1C(=O)c1ccccc1
C/C=C(\C)C(=O)N(C)c1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] C/C=C(\C)C(=O)N(C)c1ccccc1C(=O)[*:1]
C[C@H](c1cccc(Cl)c1)N(C)[C@H](C[NH3+])CC(N)=O NC(=O)C[*:1] C[C@H](c1cccc(Cl)c1)N(C)[C@H](C[NH3+])[*:1]
C[C@H](c1cccc(Cl)c1)N(C)[C@H](C[NH3+])CC(N)=O NC(=O)[*:1] C[C@H](c1cccc(Cl)c1)N(C)[C@H](C[NH3+])C[*:1]
COc1ccc(-c2nc3cccc(C)n3c2NCc2ccc3c(c2)OCO3)cc1 COc1ccc(cc1)[*:1] Cc1cccc2nc(c(NCc3ccc4OCOc4c3)n12)[*:1]
COc1ccc(-c2nc3cccc(C)n3c2NCc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)-c1nc2cccc(C)n2c1NC[*:1]
CC(=O)OC1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 CC(=O)O[*:1] Fc1ccc(cc1C(F)(F)F)C[NH+]1CCC(CC1)[*:1]
CC(=O)OC1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC(=O)OC1CC[NH+](CC1)Cc1ccc(F)c(c1)[*:1]
Cc1ccc(C)c(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1cccc(O)c1)N[*:1]
Cc1ccc(C)c(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)c1 Oc1cccc(c1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1n[nH]c(n1)NN=C[*:1]
CC(C)SCc1n[nH]c(CO)n1 CC(C)S[*:1] OCc1nc(C[*:1])n[nH]1
CC(C)SCc1n[nH]c(CO)n1 CC(C)[*:1] OCc1nc(CS[*:1])n[nH]1
C=CCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Cl C=CCNC(=O)[*:1] O=C(Nc1c(cnn1-c1ccccc1)[*:1])c1ccccc1Cl
C=CCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] C=CCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)[*:1]
C=CCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Cl C=CC[*:1] O=C(Nc1c(cnn1-c1ccccc1)C(=O)N[*:1])c1ccccc1Cl
C=CCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1Cl c1ccc(cc1)[*:1] C=CCNC(=O)c1cnn(c1NC(=O)c1ccccc1Cl)[*:1]
COCC[C@@H](O)[C@H]1CCOC2(CCSCC2)C1 COCC[*:1] O[C@@H]([C@H]1CCOC2(CCSCC2)C1)[*:1]
COCC[C@@H](O)[C@H]1CCOC2(CCSCC2)C1 COC[*:1] O[C@H](C[*:1])[C@H]1CCOC2(CCSCC2)C1
Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 Cc1ccccc1O[*:1] C[C@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)[*:1]
Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 Cc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)Nc1ccccc1C(=O)NC1CCCCC1
Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1[*:1]
Oc1ccc2c(c1)[C@H]1CCC[C@]1(N1CCOCC1)O2 C1CN(CCO1)[*:1] Oc1ccc2O[C@]3(CCC[C@@H]3c2c1)[*:1]
N#CC1(NC(=O)CNc2ccc(C(F)(F)F)cc2)CCCCC1 FC(F)(F)[*:1] N#CC1(CCCCC1)NC(=O)CNc1ccc(cc1)[*:1]
C#CC[C@@H](C)OC(=O)c1cn(C)nc1-c1ccccc1OC C#CC[*:1] COc1ccccc1-c1nn(C)cc1C(=O)O[C@H](C)[*:1]
O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](Cn2nnc(-c3cccnc3)n2)C1 c1cc2OCCOc2cc1[*:1] O=C(N1CCC[C@H](C1)Cn1nnc(n1)-c1cccnc1)[*:1]
O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](Cn2nnc(-c3cccnc3)n2)C1 c1cncc(c1)[*:1] O=C(c1ccc2OCCOc2c1)N1CCC[C@H](C1)Cn1nnc(n1)[*:1]
Cc1csc2nc(CSc3nnc(C4CC4)s3)cc(=O)n12 C1CC1[*:1] Cc1csc2nc(cc(=O)n12)CSc1nnc(s1)[*:1]
CC(=O)N1CCN(C(=O)CCNc2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1 Clc1cc(Cl)cc(c1)[*:1] CC(=O)N1CCN(CC1)C(=O)CCNc1nc(no1)[*:1]
[NH3+]C[C@H](Cc1ccn(C2CCCC2)n1)c1ccccc1F C1CCC(C1)[*:1] [NH3+]C[C@H](Cc1ccn(n1)[*:1])c1ccccc1F
[NH3+]C[C@H](Cc1ccn(C2CCCC2)n1)c1ccccc1F Fc1ccccc1[*:1] [NH3+]C[C@H](Cc1ccn(n1)C1CCCC1)[*:1]
CC1=C(C)[C@@H](c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)s2)N=N1 Cc1ccc(c(C)c1)[*:1] CC1N=N[C@@H](C=1C)c1ccc(s1)S(=O)(=O)[N-][*:1]
Cn1c(=O)oc2cc(C(=O)C3=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]3c3ccccn3)ccc21 c1ccc(nc1)[*:1] Cn1c(=O)oc2cc(ccc21)C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]1[*:1]
CC[C@@](C)([NH3+])C(=O)Nc1cccc(OCC[NH+](C)C)c1 C[NH+](C)CCO[*:1] CC[C@@](C)([NH3+])C(=O)Nc1cccc(c1)[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 CCOC(=O)[*:1] C[C@@H](C(=O)NC1=c2cc(F)ccc2=[NH+][C@@H]1[*:1])N1CCN(CC1)C(=O)c1ccco1
CCOC(=O)[C@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CCOC(=O)[C@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)[C@H](C)N1CCN(CC1)C(=O)[*:1]
O=C1[C@@H](Nc2c(F)cc(F)cc2F)CCN1C1CC1 C1CC1[*:1] O=C1[C@H](CCN1[*:1])Nc1c(F)cc(F)cc1F
Nn1c(SCC(=O)Nc2nccs2)nnc1-c1cc(-c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] Nn1c(nnc1-c1cc([nH]n1)[*:1])SCC(=O)Nc1nccs1
Nn1c(SCC(=O)Nc2nccs2)nnc1-c1cc(-c2ccccc2)[nH]n1 O=C(C[*:1])Nc1nccs1 Nn1c(nnc1-c1cc([nH]n1)-c1ccccc1)S[*:1]
Nn1c(SCC(=O)Nc2nccs2)nnc1-c1cc(-c2ccccc2)[nH]n1 c1csc(n1)[*:1] Nn1c(nnc1-c1cc([nH]n1)-c1ccccc1)SCC(=O)N[*:1]
Nn1c(SCC(=O)Nc2nccs2)nnc1-c1cc(-c2ccccc2)[nH]n1 O=C(Nc1nccs1)[*:1] Nn1c(nnc1-c1cc([nH]n1)-c1ccccc1)SC[*:1]
CCOC1CCN(C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)CC1 CCO[*:1] CO[C@]1(C)C[C@H](NC(=O)N2CCC(CC2)[*:1])C1(C)C
C=C(C)COc1cccc(NC(=O)CNc2c(C)cccc2C)c1 C=C(C)CO[*:1] Cc1cccc(C)c1NCC(=O)Nc1cccc(c1)[*:1]
C=C(C)COc1cccc(NC(=O)CNc2c(C)cccc2C)c1 C=C(C)C[*:1] Cc1cccc(C)c1NCC(=O)Nc1cccc(c1)O[*:1]
C=C(C)COc1cccc(NC(=O)CNc2c(C)cccc2C)c1 Cc1cccc(C)c1[*:1] C=C(C)COc1cccc(c1)NC(=O)CN[*:1]
C=C(C)COc1cccc(NC(=O)CNc2c(C)cccc2C)c1 C=C(C)[*:1] Cc1cccc(C)c1NCC(=O)Nc1cccc(c1)OC[*:1]
O=C(C1CC1)N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1 C1CO[C@H](C1)[*:1] O=C(C1CC1)N(C[*:1])c1nc2c(F)cccc2s1
O=C(C1CC1)N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1 C1CC1[*:1] O=C(N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1)[*:1]
O=C(C1CC1)N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1 C1CO[C@H](C1)C[*:1] O=C(C1CC1)N(c1nc2c(F)cccc2s1)[*:1]
O=S(=O)(Cc1coc(-c2cccc(Cl)c2)n1)Cc1cc2c(cc1Br)OCCO2 Clc1cccc(c1)[*:1] O=S(=O)(Cc1coc(n1)[*:1])Cc1cc2OCCOc2cc1Br
CC(=O)/C(=C/c1ccccc1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)C(=C[*:1])C(=O)c1ccccc1
CC(=O)/C(=C/c1ccccc1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)/C(=C/c1ccccc1)C(=O)[*:1]
CC(=O)/C(=C/c1ccccc1)C(=O)c1ccccc1 CC(=O)[*:1] O=C(/C(=C\c1ccccc1)[*:1])c1ccccc1
Cc1csc(=O)n1CCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C Cc1csc(=O)n1[*:1] C[C@H]1[C@H](CCN1C(=O)CCC[*:1])C(=O)[O-]
Cc1csc(=O)n1CCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] Cc1csc(=O)n1CCCC(=O)N1CC[C@H]([C@@H]1C)[*:1]
CC[C@@H](Oc1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](Oc1ccccc1)[*:1]
C[NH+](C)[C@@H](CNC(=O)Cn1ccccc1=O)c1ccsc1 O=c1ccccn1[*:1] C[NH+](C)[C@@H](CNC(=O)C[*:1])c1ccsc1
C[NH+](C)[C@@H](CNC(=O)Cn1ccccc1=O)c1ccsc1 c1cc(cs1)[*:1] C[NH+](C)[C@@H](CNC(=O)Cn1ccccc1=O)[*:1]
CCCC(=O)N1CCCC[C@@H]1C(=O)NN=C(c1ccccc1)c1ccccc1 CCC[*:1] O=C(NN=C(c1ccccc1)c1ccccc1)[C@H]1CCCCN1C(=O)[*:1]
CCCC(=O)N1CCCC[C@@H]1C(=O)NN=C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCCC(=O)N1CCCC[C@@H]1C(=O)NN=C(c1ccccc1)[*:1]
CCCOc1ccc([C@H](C)[C@H]([NH2+]C)C(C)C)cc1 CC(C)[*:1] CCCOc1ccc(cc1)[C@H](C)[C@H]([NH2+]C)[*:1]
CCCOc1ccc([C@H](C)[C@H]([NH2+]C)C(C)C)cc1 CCC[*:1] C[NH2+][C@H](C(C)C)[C@@H](C)c1ccc(cc1)O[*:1]
CCCOc1ccc([C@H](C)[C@H]([NH2+]C)C(C)C)cc1 CCCO[*:1] C[NH2+][C@H](C(C)C)[C@@H](C)c1ccc(cc1)[*:1]
Cc1cccnc1[C@@H](NC(=O)c1cc2c(cc1O)OCO2)C(C)C Cc1cccnc1[*:1] CC(C)[C@H](NC(=O)c1cc2OCOc2cc1O)[*:1]
Cc1cccnc1[C@@H](NC(=O)c1cc2c(cc1O)OCO2)C(C)C CC(C)[*:1] Cc1cccnc1[C@@H](NC(=O)c1cc2OCOc2cc1O)[*:1]
CCCN(C(=O)CSc1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)S[*:1] CCCN(C(=O)C[*:1])[C@H]1CCS(=O)(=O)C1
CCCN(C(=O)CSc1ccccc1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCN(C(=O)CSc1ccccc1)[*:1]
CCCN(C(=O)CSc1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCN(C(=O)CS[*:1])[C@H]1CCS(=O)(=O)C1
CCCN(C(=O)CSc1ccccc1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(CSc1ccccc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
Nc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] Nc1ccc2c(c1)CC[C@H]2NS(=O)(=O)[*:1]
C[NH+](CC(=O)NC1(C#N)CCCC1)Cc1ccc2c(c1)OCO2 N#CC1(CCCC1)[*:1] C[NH+](CC(=O)N[*:1])Cc1ccc2OCOc2c1
CCc1nn(C)c(Cl)c1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C COc1cccc(c1)[*:1] CCc1nn(C)c(Cl)c1C(=O)NC[C@H]([NH+](C)C)[*:1]
O=C(NC[C@](O)(Cc1ccccc1)c1cccs1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NC[C@](O)(Cc1ccccc1)c1cccs1)[*:1]
O=C(NC[C@](O)(Cc1ccccc1)c1cccs1)c1ccccc1Cl c1ccc(cc1)C[*:1] O=C(NC[C@](O)(c1cccs1)[*:1])c1ccccc1Cl
O=C(NC[C@](O)(Cc1ccccc1)c1cccs1)c1ccccc1Cl c1ccc(cc1)[*:1] O=C(NC[C@](O)(C[*:1])c1cccs1)c1ccccc1Cl
O=C(NC[C@](O)(Cc1ccccc1)c1cccs1)c1ccccc1Cl c1csc(c1)[*:1] O=C(NC[C@](O)(Cc1ccccc1)[*:1])c1ccccc1Cl
O=C(NCc1ccccn1)Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 c1ccc(cc1)[*:1] O=C(NCc1ccccn1)Nc1ccc2Sc3ccccc3C(=O)N(C[*:1])c2c1
O=C(NCc1ccccn1)Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 c1ccc(cc1)C[*:1] O=C(NCc1ccccn1)Nc1ccc2Sc3ccccc3C(=O)N(c2c1)[*:1]
O=C(NCc1ccccn1)Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 c1ccc(C[*:1])nc1 O=C(Nc1ccc2Sc3ccccc3C(=O)N(Cc3ccccc3)c2c1)N[*:1]
O=C(NCc1ccccn1)Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 c1ccc(nc1)[*:1] O=C(NC[*:1])Nc1ccc2Sc3ccccc3C(=O)N(Cc3ccccc3)c2c1
O=C(NCc1ccccn1)Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 O=C(NCc1ccccn1)N[*:1] O=C1c2ccccc2Sc2ccc(cc2N1Cc1ccccc1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)C1 CS(=O)(=O)[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
C[C@@H](CC(N)=S)NC(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](CC(N)=S)NC(=O)N[*:1]
C[C@@H](CC(N)=S)NC(=O)NC1CCCC1 NC(=S)C[*:1] C[C@@H](NC(=O)NC1CCCC1)[*:1]
C[C@@H](CC(N)=S)NC(=O)NC1CCCC1 NC(=S)[*:1] C[C@@H](C[*:1])NC(=O)NC1CCCC1
Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3)o2)s1 Cc1cnc(s1)[*:1] O=C(CSc1nnc(o1)-c1ccccc1)N[*:1]
Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3)o2)s1 c1ccc(cc1)[*:1] Cc1cnc(NC(=O)CSc2nnc(o2)[*:1])s1
COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cccc(C(F)(F)F)c3)sc2c1 FC(F)(F)[*:1] COc1ccc2nc(sc2c1)N(CC[NH+](C)C)C(=O)c1cccc(c1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCCn3cccc3)CCC2=O)cc1C c1ccn(c1)CC[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCCn3cccc3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NCCn1cccc1)[C@H]1CCC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCCn3cccc3)CCC2=O)cc1C c1ccn(c1)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)NCC[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCCn3cccc3)CCC2=O)cc1C c1ccn(c1)C[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)NC[*:1]
Cc1ccccc1NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1 Cc1ccccc1[*:1] O=C(CSc1ncc(o1)-c1ccc(Br)cc1)N[*:1]
Cc1ccccc1NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CSc1ncc(o1)[*:1]
O=C(CCC1CC1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 C1CC1[*:1] O=C(CC[*:1])Nc1cccc(c1)C[NH+]1CCC(O)CC1
O=C(CCC1CC1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 C1CC1CC[*:1] O=C(Nc1cccc(c1)C[NH+]1CCC(O)CC1)[*:1]
O=C(CCC1CC1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 C1CC1C[*:1] O=C(C[*:1])Nc1cccc(c1)C[NH+]1CCC(O)CC1
CCN(CC(C)(C)O)C(=O)C[C@H]1CCCC[NH2+]1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)C[C@H]1CCCC[NH2+]1
CCN(CC(C)(C)O)C(=O)C[C@H]1CCCC[NH2+]1 CC(C)(O)C[*:1] CCN(C(=O)C[C@H]1CCCC[NH2+]1)[*:1]
C[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CCn1ccc(C(F)(F)F)n1 FC(F)(F)[*:1] C[NH2+][C@]1(CCC[C@H]1CCn1ccc(n1)[*:1])C(=O)[O-]
C[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CCn1ccc(C(F)(F)F)n1 O=C([O-])[*:1] C[NH2+][C@]1(CCC[C@H]1CCn1ccc(n1)C(F)(F)F)[*:1]
O=C(Nc1ccc(F)nc1)c1scnc1C1CC1 C1CC1[*:1] O=C(Nc1ccc(F)nc1)c1scnc1[*:1]
Cn1cc(C[NH+]2CCc3onc(-c4ccccc4F)c3C2)c(-c2ccccc2)n1 Fc1ccccc1[*:1] Cn1cc(C[NH+]2CCc3onc(c3C2)[*:1])c(n1)-c1ccccc1
Cn1cc(C[NH+]2CCc3onc(-c4ccccc4F)c3C2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C[NH+]2CCc3onc(-c4ccccc4F)c3C2)c(n1)[*:1]
C[C@@H]1CCC[C@H](/C([O-])=N/S(=O)(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C1)/C([O-])=N/S(=O)(=O)C[*:1]
CCO[C@H]1C[C@H]([O-])C12CCN(C(=O)c1c(C)nn(C)c1C)CC2 CCO[*:1] Cc1nn(C)c(C)c1C(=O)N1CCC2(CC1)[C@@H]([O-])C[C@@H]2[*:1]
Cc1ccc(NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)cc1C(N)=O FC(F)(F)[*:1] Cc1ccc(cc1C(N)=O)NC(=O)[C@H](C)Cc1cccc(c1)[*:1]
Cc1ccc(NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H](C)Cc1cccc(c1)C(F)(F)F
c1ccc2c(c1)SC[C@@H]2c1nc(C[NH2+]C2CC2)no1 C1CC1[*:1] c1ccc2c(c1)SC[C@@H]2c1nc(C[NH2+][*:1])no1
NC(=O)[C@H](NCc1cscn1)c1ccc(F)cc1 NC(=O)[*:1] Fc1ccc(cc1)[C@@H](NCc1cscn1)[*:1]
NC(=O)[C@H](NCc1cscn1)c1ccc(F)cc1 c1nc(cs1)C[*:1] NC(=O)[C@H](N[*:1])c1ccc(F)cc1
NC(=O)[C@H](NCc1cscn1)c1ccc(F)cc1 c1nc(cs1)[*:1] NC(=O)[C@H](NC[*:1])c1ccc(F)cc1
Cc1n[nH]c(SCCNc2ccc3cc[nH]c3n2)n1 Cc1n[nH]c(n1)[*:1] c1cc2ccc(nc2[nH]1)NCCS[*:1]
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)Nc2cnccc2C)C1 Cc1ccncc1[*:1] CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)Nc2cnccc2C)C1 FC(F)(F)C[*:1] CCN(C(=O)[C@@H]1CCCN(C1)C(=O)Nc1cnccc1C)[*:1]
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)Nc2cnccc2C)C1 FC(F)(F)[*:1] CCN(C[*:1])C(=O)[C@@H]1CCCN(C1)C(=O)Nc1cnccc1C
CN(Cc1cccs1)C(=O)CCCC[C@H]1CCSS1 c1csc(c1)[*:1] CN(C[*:1])C(=O)CCCC[C@H]1CCSS1
CN(Cc1cccs1)C(=O)CCCC[C@H]1CCSS1 c1csc(c1)C[*:1] CN(C(=O)CCCC[C@H]1CCSS1)[*:1]
O=C(N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccn(C2CCCC2)n1 C1CCC(C1)[*:1] O=C(N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccn(n1)[*:1]
O=C(N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccn(C2CCCC2)n1 Fc1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C(=O)[O-])c1ccn(n1)C1CCCC1
O=C(N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccn(C2CCCC2)n1 Fc1ccc(cc1)C[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1ccn(n1)C1CCCC1
O=C(N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccn(C2CCCC2)n1 O=C([O-])[*:1] O=C(N[C@H](Cc1ccc(F)cc1)[*:1])c1ccn(n1)C1CCCC1
COc1ccc(N2C(=O)c3cccnc3[C@H]2Nc2cccc(C)c2C)cc1 Cc1cccc(c1C)[*:1] COc1ccc(cc1)N1C(=O)c2cccnc2[C@H]1N[*:1]
COc1ccc(N2C(=O)c3cccnc3[C@H]2Nc2cccc(C)c2C)cc1 COc1ccc(cc1)[*:1] Cc1cccc(N[C@@H]2c3ncccc3C(=O)N2[*:1])c1C
COc1ccc(N2C(=O)c3cccnc3[C@H]2Nc2cccc(C)c2C)cc1 Cc1cccc(N[*:1])c1C COc1ccc(cc1)N1C(=O)c2cccnc2[C@@H]1[*:1]
COC(=O)c1c(NC(=O)c2cc(C)no2)c(C)nn1C Cc1cc(on1)[*:1] COC(=O)c1c(NC(=O)[*:1])c(C)nn1C
COC(=O)c1c(NC(=O)c2cc(C)no2)c(C)nn1C COC(=O)[*:1] Cc1cc(on1)C(=O)Nc1c(C)nn(C)c1[*:1]
O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1nnc(-c2ccco2)o1 c1coc(c1)[*:1] O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1nnc(o1)[*:1]
Cn1cc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c(C(F)(F)F)n1 FC(F)(F)[*:1] Cn1cc(C(=O)N2CCC(CC2)OCc2ccc(F)cc2)c(n1)[*:1]
Cn1cc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c(C(F)(F)F)n1 Fc1ccc(cc1)CO[*:1] Cn1cc(C(=O)N2CCC(CC2)[*:1])c(n1)C(F)(F)F
Cn1cc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c(C(F)(F)F)n1 Fc1ccc(cc1)[*:1] Cn1cc(C(=O)N2CCC(CC2)OC[*:1])c(n1)C(F)(F)F
Cn1cc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c(C(F)(F)F)n1 Fc1ccc(cc1)C[*:1] Cn1cc(C(=O)N2CCC(CC2)O[*:1])c(n1)C(F)(F)F
C[C@H]([NH2+]CC1(CO)COC1)c1ccc(-c2cccs2)cc1 c1csc(c1)[*:1] C[C@H]([NH2+]CC1(CO)COC1)c1ccc(cc1)[*:1]
C[C@H]([NH2+]CC1(CO)COC1)c1ccc(-c2cccs2)cc1 OCC1(COC1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(cc1)-c1cccs1
CC(C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 CC(C)[*:1] O=C(N[*:1])c1cccnc1Oc1ccc(cc1)NS(=O)(=O)c1ccc(F)cc1
CC(C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 CC(C)NC(=O)[*:1] O=S(=O)(Nc1ccc(cc1)Oc1ncccc1[*:1])c1ccc(F)cc1
CC(C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(C)NC(=O)c1cccnc1Oc1ccc(cc1)NS(=O)(=O)[*:1]
CC[C@@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)N1CCO[C@H](c2ccc(F)c(F)c2)C1 CCC[C@@H](C)[*:1] C[C@@H](C(=O)N[*:1])N1CCO[C@@H](C1)c1ccc(F)c(F)c1
CCC[C@@H](C)NC(=O)[C@H](C)N1CCO[C@H](c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] CCC[C@@H](C)NC(=O)[C@H](C)N1CCO[C@H](C1)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)N1CCO[C@H](c2ccc(F)c(F)c2)C1 CCC[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])N1CCO[C@@H](C1)c1ccc(F)c(F)c1
CCC[C@@H](C)NC(=O)[C@H](C)N1CCO[C@H](c2ccc(F)c(F)c2)C1 CCC[C@@H](C)NC(=O)[*:1] C[C@H](N1CCO[C@@H](C1)c1ccc(F)c(F)c1)[*:1]
COC(=O)C1CCN(C(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)[*:1]
COC(=O)C1CCN(C(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 COC(=O)[*:1] Cc1ccc(cc1Cl)N(CC(=O)N1CCC(CC1)[*:1])S(=O)(=O)c1ccccc1
COC(=O)C1CCN(C(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 Cc1ccc(cc1Cl)[*:1] COC(=O)C1CCN(CC1)C(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
CCNc1cc[nH+]cc1S(=O)(=O)[N-]c1ccc(C)[nH+]c1C CCN[*:1] Cc1ccc([N-]S(=O)(=O)c2c[nH+]ccc2[*:1])c(C)[nH+]1
CC[C@@H](C)NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 CC[C@@H](C)[*:1] CN(CCCc1cc(n[nH]1)-c1ccccc1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)N(C)CCCc1cc(n[nH]1)[*:1]
COC(=O)c1ccc(C(=O)Nc2ccc(N)cc2N)cc1 COC(=O)[*:1] Nc1ccc(NC(=O)c2ccc(cc2)[*:1])c(N)c1
Cc1cccc(OC[C@H](O)CN2CCO[C@H]3CCCC[C@@H]32)c1 Cc1cccc(c1)[*:1] O[C@@H](CO[*:1])CN1CCO[C@H]2CCCC[C@@H]21
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccccc1Br)CC2 c1csc(c1)[*:1] COc1cc2CCN(C(=O)c3ccccc3Br)[C@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccccc1Br)CC2 Brc1ccccc1[*:1] COc1cc2CCN(C(=O)[*:1])[C@H](c3cccs3)c2cc1OC
NC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)cc1 FC(F)(F)C[*:1] NC(=O)c1ccc(cc1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)O[*:1]
NC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)cc1 O=C(OCC(F)(F)F)[*:1] NC(=O)c1ccc(cc1)NC(=O)[C@H]1CCCC[C@H]1[*:1]
NC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)cc1 FC(F)(F)[*:1] NC(=O)c1ccc(cc1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)OC[*:1]
NC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F
COc1ccc(S(=O)(=O)N(C)C(=O)/C=C/c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)C(=O)C=C[*:1]
O=C(NCc1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 c1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc2c(=O)n3CCCCCc3nc2c1
O=C(NCc1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 c1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc2c(=O)n3CCCCCc3nc2c1
Cc1ncc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1 C1CC1[*:1] Cc1ncc(cn1)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
Cc1ncc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1 Cc1ncc(cn1)[*:1] O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
Cc1ccc(NC(=O)c2nnc(COCC(=O)N3CCC4(CC3)OCCO4)s2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(COCC(=O)N2CCC3(CC2)OCCO3)s1
Cc1ccc(NC(=O)c2nnc(COCC(=O)N3CCC4(CC3)OCCO4)s2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C(COCc1nnc(s1)[*:1])N1CCC2(CC1)OCCO2
C[C@@H]1C[C@H](Nc2cc(Cl)nc(N)n2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](Nc2cc(Cl)nc(N)n2)C(=O)N1[*:1]
CCOc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 CCO[*:1] O=C1CN(Cc2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 Clc1ccc(cc1)C[*:1] CCOc1ccc(cc1)N1C(=O)CN([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CCOc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)CN(C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
CCOc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 CCOc1ccc(cc1)[*:1] O=C1CN(Cc2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3c(C)cccc3C)c2n1 Cc1cccc(C)c1[*:1] Cc1ccc2c(=O)c(cn(CC(=O)N[*:1])c2n1)C(=O)c1ccccc1
Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3c(C)cccc3C)c2n1 c1ccc(cc1)[*:1] Cc1ccc2c(=O)c(cn(CC(=O)Nc3c(C)cccc3C)c2n1)C(=O)[*:1]
Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3c(C)cccc3C)c2n1 O=C(c1ccccc1)[*:1] Cc1ccc2c(=O)c(cn(CC(=O)Nc3c(C)cccc3C)c2n1)[*:1]
CC(=O)c1ccc(OC(=O)c2ccc(F)cc2Br)cc1 CC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccc(F)cc1Br
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 Cc1cccc(c1)O[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)[C@@H](C)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 Cc1cccc(c1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)[C@@H](C)O[*:1]
CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 CC(C)(C)[*:1] CN(C(=O)O[*:1])C1CC[NH+](CC1)Cc1cnn(c1)-c1ccc(F)cc1
CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 Fc1ccc(cc1)[*:1] CN(C(=O)OC(C)(C)C)C1CC[NH+](CC1)Cc1cnn(c1)[*:1]
CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 CN(C(=O)OC(C)(C)C)[*:1] Fc1ccc(cc1)-n1cc(cn1)C[NH+]1CCC(CC1)[*:1]
CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(F)c(F)c2)cc1 CCO[*:1] C[C@@H](NC(=O)Cc1ccc(F)c(F)c1)c1ccc(cc1)[*:1]
O=C(Cc1nc(-c2ccccc2)cs1)[C@H]1CSCCS1 c1ccc(cc1)[*:1] O=C(Cc1nc(cs1)[*:1])[C@H]1CSCCS1
CC[C@H]([NH2+]Cc1ccc(C(N)=O)o1)c1cc(C)ccc1OC NC(=O)[*:1] CC[C@H]([NH2+]Cc1ccc(o1)[*:1])c1cc(C)ccc1OC
Cc1cccc(C)c1NC(=S)N(C)Cc1cn(C)c2ccccc12 Cc1cccc(C)c1[*:1] CN(Cc1cn(C)c2ccccc12)C(=S)N[*:1]
CCC(=O)N1N=C(c2ccccc2C)C[C@H]1c1ccco1 Cc1ccccc1[*:1] CCC(=O)N1N=C(C[C@H]1c1ccco1)[*:1]
CCC(=O)N1N=C(c2ccccc2C)C[C@H]1c1ccco1 c1coc(c1)[*:1] CCC(=O)N1N=C(C[C@@H]1[*:1])c1ccccc1C
CCC[C@H](C)NC(=O)c1cc(C)c(C#CCO)s1 OCC#C[*:1] CCC[C@H](C)NC(=O)c1cc(C)c(s1)[*:1]
CCC[C@H](C)NC(=O)c1cc(C)c(C#CCO)s1 CCC[*:1] Cc1cc(sc1C#CCO)C(=O)N[C@@H](C)[*:1]
CCC[C@H](C)NC(=O)c1cc(C)c(C#CCO)s1 CCC[C@H](C)[*:1] Cc1cc(sc1C#CCO)C(=O)N[*:1]
Cc1ccc(C(C)(C)CN(C)Cc2nnc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(C)(C)CN(C)Cc1nnc(o1)[*:1]
Cc1ccc(C(C)(C)CN(C)Cc2nnc(-c3ccccc3)o2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1nnc(o1)-c1ccccc1)CC(C)(C)[*:1]
COc1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)cc1OCCO OCC[*:1] COc1ccc(cc1O[*:1])C(=O)N1CC2(CCCC2)c2ccccc21
COc1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)cc1OCCO OCCO[*:1] COc1ccc(cc1[*:1])C(=O)N1CC2(CCCC2)c2ccccc21
CC[C@H](NC(=O)N(CC)CCC(F)(F)F)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)N(CC)CCC(F)(F)F)[*:1]
CC[C@H](NC(=O)N(CC)CCC(F)(F)F)c1ccncc1 FC(F)(F)C[*:1] CC[C@H](NC(=O)N(CC)C[*:1])c1ccncc1
CC[C@H](NC(=O)N(CC)CCC(F)(F)F)c1ccncc1 FC(F)(F)[*:1] CC[C@H](NC(=O)N(CC)CC[*:1])c1ccncc1
CC[C@H](NC(=O)N(CC)CCC(F)(F)F)c1ccncc1 FC(F)(F)CC[*:1] CC[C@H](NC(=O)N(CC)[*:1])c1ccncc1
Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] Cc1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)[nH]c(C)c1[*:1]
Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)CC1 Cc1ccccc1[*:1] Cc1[nH]c(C)c(c1C(=O)N1CCCC1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)CC1 Cc1ccccc1NC(=O)[*:1] Cc1[nH]c(C)c(c1C(=O)N1CCCC1)S(=O)(=O)N1CCC(CC1)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NCc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NCc1cccc(c1)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NCc1cccc(-n2cccn2)c1 CC(C)[*:1] C[C@H]1C[C@@H]1CN(C(=O)NCc1cccc(c1)-n1cccn1)[*:1]
CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)SC)ccc1F CNS(=O)(=O)[*:1] CSC(C)(C)CNC(=O)c1ccc(F)c(c1)[*:1]
CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)SC)ccc1F CSC(C)(C)C[*:1] CNS(=O)(=O)c1cc(ccc1F)C(=O)N[*:1]
CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)SC)ccc1F CSC(C)(C)[*:1] CNS(=O)(=O)c1cc(ccc1F)C(=O)NC[*:1]
Cn1c(C(C)(C)C)nc2cc(NC(=O)C3CC4(C3)NC(=O)NC4=O)ccc21 CC(C)(C)[*:1] Cn1c(nc2cc(ccc21)NC(=O)C1CC2(C1)NC(=O)NC2=O)[*:1]
CCC[NH+]1CCC(N(C)Cc2cccc(F)c2Cl)CC1 CCC[*:1] CN(Cc1cccc(F)c1Cl)C1CC[NH+](CC1)[*:1]
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nc(C)no4)cn3)C2)cn1 Cc1noc(n1)[*:1] Cc1ccc(cn1)C(=O)N[C@H]1CCN(C1)c1ccc(cn1)[*:1]
Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nc(C)no4)cn3)C2)cn1 Cc1ccc(cn1)[*:1] Cc1noc(n1)-c1ccc(nc1)N1CC[C@@H](C1)NC(=O)[*:1]
CCc1nn(C)cc1C(=O)NCc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCc1nn(C)cc1C(=O)NCc1ccc(cc1)[*:1]
COCc1nc(C(=O)NCC2CCC(C)(C)CC2)cs1 COC[*:1] CC1(C)CCC(CC1)CNC(=O)c1csc(n1)[*:1]
CCc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1 c1coc(c1)C[*:1] CCc1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
CCc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)C(=O)N1CCN(CC1)C[*:1]
COC(=O)CCCc1csc(NC(=O)[C@@H]2CC=CCC2)n1 COC(=O)CC[*:1] O=C(Nc1nc(cs1)C[*:1])[C@@H]1CC=CCC1
COC(=O)CCCc1csc(NC(=O)[C@@H]2CC=CCC2)n1 COC(=O)[*:1] O=C(Nc1nc(cs1)CCC[*:1])[C@@H]1CC=CCC1
COC(=O)CCCc1csc(NC(=O)[C@@H]2CC=CCC2)n1 COC(=O)CCC[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CC=CCC1
COC(=O)CCCc1csc(NC(=O)[C@@H]2CC=CCC2)n1 COC(=O)C[*:1] O=C(Nc1nc(cs1)CC[*:1])[C@@H]1CC=CCC1
Cn1c(C[NH+]2CCCC2)nnc1C1CCN(c2cc(C3CC3)ncn2)CC1 C1CC1[*:1] Cn1c(C[NH+]2CCCC2)nnc1C1CCN(CC1)c1cc(ncn1)[*:1]
Cn1c(C[NH+]2CCCC2)nnc1C1CCN(c2cc(C3CC3)ncn2)CC1 c1nc(cc(n1)[*:1])C1CC1 Cn1c(C[NH+]2CCCC2)nnc1C1CCN(CC1)[*:1]
COc1ccc(NC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1F Clc1ccc(cc1)[*:1] COc1ccc(cc1F)NC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1[*:1]
COc1ccc(NC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1F COc1ccc(cc1F)[*:1] CN1C(=O)C[C@@H](NC(=O)N[*:1])[C@@H]1c1ccc(Cl)cc1
CCCCOC(=O)Nc1cc(C)ccc1OC CCC[*:1] COc1ccc(C)cc1NC(=O)OC[*:1]
CCCCOC(=O)Nc1cc(C)ccc1OC CCCC[*:1] COc1ccc(C)cc1NC(=O)O[*:1]
Cc1cc(-n2c(C)cc(C(=O)OCc3ncc(-c4ccc(F)cc4)o3)c2C)no1 Fc1ccc(cc1)[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)OCc2ncc(o2)[*:1])c1C
Cc1cc(-n2c(C)cc(C(=O)OCc3ncc(-c4ccc(F)cc4)o3)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)OCc2ncc(o2)-c2ccc(F)cc2)c(C)n1[*:1]
CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 Cc1cccc(c1)[*:1] CCN(CC)S(=O)(=O)N1CCC[C@@H](C1)c1cc(cc(C)n1)C[*:1]
CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 Cc1cccc(c1)C[*:1] CCN(CC)S(=O)(=O)N1CCC[C@@H](C1)c1cc(cc(C)n1)[*:1]
COCCn1/c(=N/C(=O)C(C)C)sc2c(C)cc(C)cc21 COCC[*:1] Cc1cc(C)c2s/c(=N\C(=O)C(C)C)n(c2c1)[*:1]
COCCn1/c(=N/C(=O)C(C)C)sc2c(C)cc(C)cc21 COC[*:1] Cc1cc(C)c2s/c(=N\C(=O)C(C)C)n(C[*:1])c2c1
COCCn1/c(=N/C(=O)C(C)C)sc2c(C)cc(C)cc21 CC(C)[*:1] COCCn1/c(=N/C(=O)[*:1])sc2c(C)cc(C)cc21
O=C(CCc1cccc(Cl)c1)Nc1n[nH]c(-c2ccco2)n1 Clc1cccc(c1)[*:1] O=C(CC[*:1])Nc1n[nH]c(n1)-c1ccco1
O=C(CCc1cccc(Cl)c1)Nc1n[nH]c(-c2ccco2)n1 c1coc(c1)[*:1] O=C(CCc1cccc(Cl)c1)Nc1n[nH]c(n1)[*:1]
COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)cc1Br FC(F)(F)C[*:1] COc1ccc(cc1Br)CNC(=O)[C@H]1CCCN1C(=O)O[*:1]
COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)cc1Br FC(F)(F)[*:1] COc1ccc(cc1Br)CNC(=O)[C@H]1CCCN1C(=O)OC[*:1]
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(CN(c1cccc(c1)[N+](=O)[O-])S(=O)(=O)[*:1])Nc1ccc(Cl)cc1
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C(CN(c1cccc(c1)[*:1])S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] O=[N+]([O-])c1cccc(c1)N(C[*:1])S(=O)(=O)c1ccccc1
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])Nc1ccc(Cl)cc1
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN(c1cccc(c1)[N+](=O)[O-])S(=O)(=O)c1ccccc1)N[*:1]
COC(=O)c1cc(CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)oc1C CC(C)(C)[*:1] COC(=O)c1cc(CNC(=O)C(=O)Nc2ccccc2[*:1])oc1C
COC(=O)c1cc(CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)C(=O)Nc1ccccc1C(C)(C)C
CN1CCO[C@H](CNC(=O)N(CCC(=O)[O-])C2CC2)C1 O=C([O-])C[*:1] CN1CCO[C@H](CNC(=O)N(C[*:1])C2CC2)C1
CN1CCO[C@H](CNC(=O)N(CCC(=O)[O-])C2CC2)C1 C1CC1[*:1] CN1CCO[C@H](CNC(=O)N(CCC(=O)[O-])[*:1])C1
CN1CCO[C@H](CNC(=O)N(CCC(=O)[O-])C2CC2)C1 O=C([O-])CC[*:1] CN1CCO[C@H](CNC(=O)N(C2CC2)[*:1])C1
CN1CCO[C@H](CNC(=O)N(CCC(=O)[O-])C2CC2)C1 O=C([O-])[*:1] CN1CCO[C@H](CNC(=O)N(CC[*:1])C2CC2)C1
C=CCN(C(C)C)S(=O)(=O)c1cc(N)c(C)cc1Cl CC(C)[*:1] C=CCN(S(=O)(=O)c1cc(N)c(C)cc1Cl)[*:1]
C=CCN(C(C)C)S(=O)(=O)c1cc(N)c(C)cc1Cl C=CC[*:1] Cc1cc(Cl)c(cc1N)S(=O)(=O)N(C(C)C)[*:1]
C[C@H](Oc1ccccc1)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 FC(F)(F)[*:1] C[C@H](Oc1ccccc1)C(=O)N1CCC(CC1)C(=O)NC[*:1]
C[C@H](Oc1ccccc1)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 O=C(NCC(F)(F)F)[*:1] C[C@H](Oc1ccccc1)C(=O)N1CCC(CC1)[*:1]
C[C@H](Oc1ccccc1)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 c1ccc(cc1)O[*:1] C[C@H](C(=O)N1CCC(CC1)C(=O)NCC(F)(F)F)[*:1]
C[C@H](Oc1ccccc1)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 FC(F)(F)C[*:1] C[C@H](Oc1ccccc1)C(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@H](Oc1ccccc1)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCC(CC1)C(=O)NCC(F)(F)F
C[C@@H]1CCC[C@H](NC(=O)OCCO)C1 OCC[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)O[*:1]
Cc1ccc(C)c2sc(OC3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc12 Clc1ccc(cc1)[*:1] Cc1ccc(C)c2sc(nc12)OC1CCN(CC1)C(=O)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)c1ccccc1Cl c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N[C@H](C)c1ccccc1Cl
Cc1csc(CS[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)n1 Cc1csc(n1)[*:1] C[C@H](SC[*:1])C(=O)Nc1ccccc1C(F)(F)F
Cc1csc(CS[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] Cc1csc(CS[C@@H](C)C(=O)Nc2ccccc2[*:1])n1
Cc1csc(CS[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)n1 Cc1csc(C[*:1])n1 C[C@H](S[*:1])C(=O)Nc1ccccc1C(F)(F)F
Cc1cc(CN2CCN(C(=O)/C=C/c3ccc(C)o3)CC2)no1 Cc1cc(C[*:1])no1 Cc1ccc(/C=C/C(=O)N2CCN(CC2)[*:1])o1
Cc1cc(CN2CCN(C(=O)/C=C/c3ccc(C)o3)CC2)no1 Cc1ccc(o1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)C=C[*:1])no1
Cc1cc(CN2CCN(C(=O)/C=C/c3ccc(C)o3)CC2)no1 Cc1cc(no1)[*:1] Cc1ccc(/C=C/C(=O)N2CCN(CC2)C[*:1])o1
Cc1ccc(C(=O)NCC(=O)Nc2ccn(C)n2)cc1 Cn1ccc(n1)[*:1] Cc1ccc(cc1)C(=O)NCC(=O)N[*:1]
Cc1ccc(C(=O)[C@@H](C)Sc2nnc3c(=O)n(-c4ccccc4)ccn23)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)[C@@H](C)Sc1nnc2c(=O)n(ccn12)[*:1]
Cc1ccc(C(=O)[C@@H](C)Sc2nnc3c(=O)n(-c4ccccc4)ccn23)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](Sc1nnc2c(=O)n(ccn12)-c1ccccc1)C(=O)[*:1]
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(N)=O NC(=O)NN=C[*:1] Cc1nn(-c2ccccc2)c(c1[*:1])N1CCCCC1
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(N)=O C1CCN(CC1)[*:1] Cc1nn(-c2ccccc2)c(c1/C=N/NC(N)=O)[*:1]
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(N)=O c1ccc(cc1)[*:1] Cc1nn(c(c1/C=N/NC(N)=O)N1CCCCC1)[*:1]
CC[NH2+]Cc1cccc2c1ccn2C[C@H]1CN(C)CCO1 CN1CCO[C@H](C1)[*:1] CC[NH2+]Cc1cccc2c1ccn2C[*:1]
O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccncc1F Fc1cnccc1[*:1] O=C(N[C@@H](c1ccccc1)c1ccncc1)[*:1]
O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccncc1F c1ccc(cc1)[*:1] O=C(N[C@@H](c1ccncc1)[*:1])c1ccncc1F
O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccncc1F c1cc(ccn1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1ccncc1F
COc1cc(CNC(=O)NCCOc2cccc(C)c2)ccn1 Cc1cccc(c1)[*:1] COc1cc(ccn1)CNC(=O)NCCO[*:1]
C[C@H](CCCO)NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 C[C@H](CCCO)[*:1] O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)N[*:1]
C[C@H](CCCO)NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CCCO)NC(=O)N[C@@H](c1ccccc1)[*:1]
C[C@H](CCCO)NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 OCC[*:1] C[C@H](C[*:1])NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1
C[C@H](CCCO)NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 OCCC[*:1] C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[*:1]
C[C@H](CCCO)NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@H](CCCO)NC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
CNC(=O)CN(CCC#N)CCC(F)(F)F CNC(=O)C[*:1] N#CCCN(CCC(F)(F)F)[*:1]
CNC(=O)CN(CCC#N)CCC(F)(F)F CNC(=O)[*:1] N#CCCN(CCC(F)(F)F)C[*:1]
CNC(=O)CN(CCC#N)CCC(F)(F)F FC(F)(F)[*:1] CNC(=O)CN(CCC#N)CC[*:1]
CNC(=O)CN(CCC#N)CCC(F)(F)F N#CC[*:1] CNC(=O)CN(CCC(F)(F)F)C[*:1]
CNC(=O)CN(CCC#N)CCC(F)(F)F FC(F)(F)C[*:1] CNC(=O)CN(CCC#N)C[*:1]
CNC(=O)CN(CCC#N)CCC(F)(F)F N#CCC[*:1] CNC(=O)CN(CCC(F)(F)F)[*:1]
C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F Nc1cc(=O)[nH]c(n1)S[*:1] C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[*:1]
C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F Nc1cc(=O)[nH]c(n1)[*:1] C[C@H](S[*:1])C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F Fc1ccc(c(F)c1F)[*:1] C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)NCC(=O)N[*:1]
CC[C@@H](NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1nc2nc(C)cc(C)n2n1)[*:1]
C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CC/N=C(\O)c1ncccc1O Oc1cccnc1[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CC/N=C(\O)[*:1]
CCNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](C)C2)c1 CCNC(=O)[*:1] C[C@H]1CCCN(C1)C(=O)C(=O)Nc1cccc(c1)[*:1]
N#Cc1ccnc(N2CC[NH+](Cn3nnn(C[C@@H]4CCCO4)c3=S)CC2)c1 C1CO[C@@H](C1)[*:1] N#Cc1ccnc(c1)N1CC[NH+](CC1)Cn1nnn(C[*:1])c1=S
N#Cc1ccnc(N2CC[NH+](Cn3nnn(C[C@@H]4CCCO4)c3=S)CC2)c1 C1CO[C@@H](C1)C[*:1] N#Cc1ccnc(c1)N1CC[NH+](CC1)Cn1nnn(c1=S)[*:1]
N#Cc1ccnc(N2CC[NH+](Cn3nnn(C[C@@H]4CCCO4)c3=S)CC2)c1 N#Cc1ccnc(c1)[*:1] S=c1n(C[C@@H]2CCCO2)nnn1C[NH+]1CCN(CC1)[*:1]
Cc1cc(Br)ccc1C(=O)NCC(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(Br)ccc1C(=O)NCC(=O)O[*:1]
Cc1cc(Br)ccc1C(=O)NCC(=O)OCc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Br)ccc1C(=O)NCC(=O)OC[*:1]
CCCCCOCCCC#N N#CC[*:1] CCCCCOCC[*:1]
CCCCCOCCCC#N CCC[*:1] N#CCCCOCC[*:1]
CCCc1cc(NC(=O)N[C@H]2CCCn3c(C)nnc32)n(C)n1 CCC[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)Nc1cc(nn1C)[*:1]
COc1cccc(-c2nsc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)n2)c1 COc1cccc(c1)[*:1] CN1C(=O)C[C@@H](C(=O)Nc2nc(ns2)[*:1])[C@@H]1c1cccc(Cl)c1
COc1cccc(-c2nsc(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)n2)c1 Clc1cccc(c1)[*:1] COc1cccc(c1)-c1nsc(n1)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1[*:1]
CC(=O)Nc1ccc(CNC(=O)CNCc2sc(C)nc2C)cc1 Cc1nc(C)c(C[*:1])s1 CC(=O)Nc1ccc(cc1)CNC(=O)CN[*:1]
CC(=O)Nc1ccc(CNC(=O)CNCc2sc(C)nc2C)cc1 CC(=O)N[*:1] Cc1nc(C)c(CNCC(=O)NCc2ccc(cc2)[*:1])s1
CC(=O)Nc1ccc(CNC(=O)CNCc2sc(C)nc2C)cc1 Cc1nc(C)c(s1)[*:1] CC(=O)Nc1ccc(cc1)CNC(=O)CNC[*:1]
N#C/C(=C\c1ccc(C#Cc2ccccc2)s1)C(=O)c1cccs1 c1ccc(cc1)[*:1] N#C/C(=C\c1ccc(C#C[*:1])s1)C(=O)c1cccs1
N#C/C(=C\c1ccc(C#Cc2ccccc2)s1)C(=O)c1cccs1 C(#C[*:1])c1ccccc1 N#C/C(=C\c1ccc(s1)[*:1])C(=O)c1cccs1
N#C/C(=C\c1ccc(C#Cc2ccccc2)s1)C(=O)c1cccs1 c1csc(c1)[*:1] N#C/C(=C\c1ccc(C#Cc2ccccc2)s1)C(=O)[*:1]
N#C/C(=C\c1ccc(C#Cc2ccccc2)s1)C(=O)c1cccs1 O=C(c1cccs1)[*:1] N#CC(=Cc1ccc(C#Cc2ccccc2)s1)[*:1]
Cc1occc1C(=O)NCC(=O)N[C@@H](c1ccccc1)C(C)(C)C Cc1occc1[*:1] CC(C)(C)[C@@H](NC(=O)CNC(=O)[*:1])c1ccccc1
Cc1occc1C(=O)NCC(=O)N[C@@H](c1ccccc1)C(C)(C)C c1ccc(cc1)[*:1] Cc1occc1C(=O)NCC(=O)N[C@@H](C(C)(C)C)[*:1]
Cc1occc1C(=O)NCC(=O)N[C@@H](c1ccccc1)C(C)(C)C CC(C)(C)[*:1] Cc1occc1C(=O)NCC(=O)N[C@@H](c1ccccc1)[*:1]
C[C@@H]1CN(C(=O)c2ccc(-n3cccc3)nc2)c2ccccc2O1 c1ccn(c1)[*:1] C[C@@H]1CN(C(=O)c2ccc(nc2)[*:1])c2ccccc2O1
O=S(=O)(NCc1ccc(Cn2cncn2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCc1ccc(cc1)Cn1cncn1)[*:1]
O=S(=O)(NCc1ccc(Cn2cncn2)cc1)c1ccccc1 c1ncn(n1)[*:1] O=S(=O)(NCc1ccc(cc1)C[*:1])c1ccccc1
O=S(=O)(NCc1ccc(Cn2cncn2)cc1)c1ccccc1 c1ncn(C[*:1])n1 O=S(=O)(NCc1ccc(cc1)[*:1])c1ccccc1
Cc1ccc(N2C[C@H](C(=O)NC[C@@H](CO)Cc3ccsc3)CC2=O)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[C@@H](CO)C[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@@H](CO)Cc3ccsc3)CC2=O)cc1 c1cc(cs1)C[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[C@@H](CO)[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@@H](CO)Cc3ccsc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H](CO)Cc1ccsc1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccco1 c1coc(c1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccco1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N[*:1])C(=O)NCc1ccco1
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccco1 CC(C)[*:1] O=C(Nc1ccccc1)N[C@@H](C(=O)NCc1ccco1)[*:1]
Cc1ccc(C(=O)NNC(=O)Nc2cccc3cccnc23)o1 Cc1ccc(o1)[*:1] O=C(NNC(=O)[*:1])Nc1cccc2cccnc12
C=CCN1C(=O)C(=O)N(CC(=O)c2ccc(C(C)C)cc2)C1=O CC(C)[*:1] C=CCN1C(=O)C(=O)N(CC(=O)c2ccc(cc2)[*:1])C1=O
C=CCN1C(=O)C(=O)N(CC(=O)c2ccc(C(C)C)cc2)C1=O C=CC[*:1] CC(C)c1ccc(cc1)C(=O)CN1C(=O)C(=O)N(C1=O)[*:1]
Cc1cc(=O)n2nc(COC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)sc2n1 C1CO[C@@H](C1)CO[*:1] Cc1cc(=O)n2nc(COC(=O)c3ccc(cc3)[*:1])sc2n1
CCn1cc[nH+]c1CN(C)[C@H](C)C(=O)N(C)C CN(C)C(=O)[*:1] CCn1cc[nH+]c1CN(C)[C@H](C)[*:1]
CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 C1CCC(C1)[*:1] CN(C[C@H]1CC(=O)N(C1)[*:1])C(=O)c1cc(n[nH]1)-c1ccc(F)cc1
CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 Fc1ccc(cc1)[*:1] CN(C[C@H]1CC(=O)N(C1)C1CCCC1)C(=O)c1cc(n[nH]1)[*:1]
Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccccc3C#N)c2)n1 Cc1cc(C)n(n1)[*:1] N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(c1)[*:1]
Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccccc3C#N)c2)n1 N#Cc1ccccc1[*:1] Cc1cc(C)n(n1)-c1cccc(c1)[N-]S(=O)(=O)[*:1]
C[C@@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)[*:1]
C[C@@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)c1ccc(F)cc1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1)[*:1]
C[C@@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H](C[*:1])C(=O)NC[C@@](C)(O)c1ccc(F)cc1
CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)CC2)CC1 c1nnnn1[*:1] CC1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)CC2)CC1 CC1CCN(CC1)C(=O)[*:1] O=S(=O)(c1ccc(cc1)-n1cnnn1)N1CCC(CC1)[*:1]
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1OC Cc1ccc(cc1)CS[*:1] C#CCOc1ccc(cc1OC)[C@@H]1CC(=O)Nc2c1c(=O)nc(n2C)[*:1]
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1OC C#CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccc(C)cc1)n2C
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1OC Cc1ccc(cc1)C[*:1] C#CCOc1ccc(cc1OC)[C@@H]1CC(=O)Nc2c1c(=O)nc(S[*:1])n2C
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1OC Cc1ccc(cc1)[*:1] C#CCOc1ccc(cc1OC)[C@@H]1CC(=O)Nc2c1c(=O)nc(SC[*:1])n2C
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1OC C#CC[*:1] COc1cc(ccc1O[*:1])[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccc(C)cc1)n2C
CCOc1ccccc1C[S@@](=O)[C@H](C)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1C[S@@](=O)[C@H](C)C(=O)N(C)[*:1]
CCOc1ccccc1C[S@@](=O)[C@H](C)C(=O)N(C)c1ccccc1 CCO[*:1] C[C@H](C(=O)N(C)c1ccccc1)[S@](=O)Cc1ccccc1[*:1]
COc1ccccc1-c1noc([C@@H](C)NC(=O)Nc2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccccc1-c1noc(n1)[C@@H](C)NC(=O)N[*:1]
COc1ccccc1-c1noc([C@@H](C)NC(=O)Nc2ccccc2)n1 COc1ccccc1[*:1] C[C@@H](NC(=O)Nc1ccccc1)c1nc(no1)[*:1]
COc1c(C)cnc(COc2ccc([N+](=O)[O-])cc2Cl)c1C O=[N+]([O-])[*:1] COc1c(C)cnc(COc2ccc(cc2Cl)[*:1])c1C
c1ccc(-c2cnc(C[NH+]3CCCN(c4nc5ccccc5[nH]4)CC3)o2)cc1 c1ccc2[nH]c(nc2c1)[*:1] c1ccc(cc1)-c1cnc(C[NH+]2CCCN(CC2)[*:1])o1
c1ccc(-c2cnc(C[NH+]3CCCN(c4nc5ccccc5[nH]4)CC3)o2)cc1 c1ccc(cc1)[*:1] c1ccc2[nH]c(nc2c1)N1CCC[NH+](CC1)Cc1ncc(o1)[*:1]
C[NH2+]CCNc1ccc([N+](=O)[O-])c(N)n1 C[NH2+]CCN[*:1] Nc1nc(ccc1[N+](=O)[O-])[*:1]
C[NH2+]CCNc1ccc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] C[NH2+]CCNc1ccc(c(N)n1)[*:1]
Cc1ccc2cc(COC(=O)c3ccccc3C)c(=O)[nH]c2c1 Cc1ccccc1[*:1] Cc1ccc2cc(COC(=O)[*:1])c(=O)[nH]c2c1
C=CCN(C(=O)c1ccc2ccccc2n1)c1nc2c(s1)CCCC2 C=CC[*:1] O=C(c1ccc2ccccc2n1)N(c1nc2CCCCc2s1)[*:1]
Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)Nc1cnn(Cc3ccc(F)cc3)c1)O2 Fc1ccc(cc1)[*:1] Cc1ccc2O[C@@](C)(C(=O)Nc3cnn(c3)C[*:1])C(=O)Nc2c1
Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)Nc1cnn(Cc3ccc(F)cc3)c1)O2 Fc1ccc(cc1)C[*:1] Cc1ccc2O[C@@](C)(C(=O)Nc3cnn(c3)[*:1])C(=O)Nc2c1
C#CCC[C@H]([NH3+])c1c(F)cccc1F C#CC[*:1] [NH3+][C@@H](C[*:1])c1c(F)cccc1F
C#CCC[C@H]([NH3+])c1c(F)cccc1F C#CCC[*:1] [NH3+][C@H](c1c(F)cccc1F)[*:1]
Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)S[C@@H](C)C(=O)N[*:1]
C[C@H](CNC(=O)N1CCC[C@@H]1c1ccc[nH]1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CCC[C@@H]1c1ccc[nH]1)O[*:1]
C[C@H](CNC(=O)N1CCC[C@@H]1c1ccc[nH]1)Oc1ccc(F)cc1 c1c[nH]c(c1)[*:1] C[C@H](CNC(=O)N1CCC[C@H]1[*:1])Oc1ccc(F)cc1
C[C@H](CNC(=O)N1CCC[C@@H]1c1ccc[nH]1)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C[C@H](CNC(=O)N1CCC[C@@H]1c1ccc[nH]1)[*:1]
S=C(NCCc1ccccc1)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] S=C(NCC[*:1])Nc1cccc(Cl)c1
CN(CC(=O)NC[C@H](O)c1ccc(Cl)cc1)C(=O)c1cccs1 Clc1ccc(cc1)[*:1] CN(CC(=O)NC[C@H](O)[*:1])C(=O)c1cccs1
CN(CC(=O)NC[C@H](O)c1ccc(Cl)cc1)C(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)NC[C@H](O)c1ccc(Cl)cc1)C(=O)[*:1]
C[C@@H]1CCCCN1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 FC(F)(F)[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(cc1)-c1noc(n1)[*:1]
CCCC(=O)/N=c1/[nH]c2ccc(NC(=O)COc3ccccc3)cc2s1 c1ccc(cc1)OC[*:1] CCCC(=O)/N=c1/[nH]c2ccc(cc2s1)NC(=O)[*:1]
CCCC(=O)/N=c1/[nH]c2ccc(NC(=O)COc3ccccc3)cc2s1 c1ccc(cc1)[*:1] CCCC(=O)/N=c1/[nH]c2ccc(cc2s1)NC(=O)CO[*:1]
CCCC(=O)/N=c1/[nH]c2ccc(NC(=O)COc3ccccc3)cc2s1 c1ccc(cc1)O[*:1] CCCC(=O)/N=c1/[nH]c2ccc(cc2s1)NC(=O)C[*:1]
CCCC(=O)/N=c1/[nH]c2ccc(NC(=O)COc3ccccc3)cc2s1 CCC[*:1] O=C(COc1ccccc1)Nc1ccc2[nH]/c(=N/C(=O)[*:1])sc2c1
COCCNC(=O)Nc1nc(-c2ccc(C)cc2)cs1 COCC[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)N[*:1]
COCCNC(=O)Nc1nc(-c2ccc(C)cc2)cs1 COC[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)NC[*:1]
O=[N+]([O-])c1ccc(NCc2nnc3ccccn23)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(NCc2nnc3ccccn23)c(c1)[*:1]
O=[N+]([O-])c1ccc(NCc2nnc3ccccn23)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1NCc1nnc2ccccn12)[*:1]
COc1cccc([C@H](C)CC(=O)Nc2cccc(CS(N)(=O)=O)c2)c1 NS(=O)(=O)[*:1] COc1cccc(c1)[C@H](C)CC(=O)Nc1cccc(c1)C[*:1]
COc1cccc([C@H](C)CC(=O)Nc2cccc(CS(N)(=O)=O)c2)c1 NS(=O)(=O)C[*:1] COc1cccc(c1)[C@H](C)CC(=O)Nc1cccc(c1)[*:1]
COc1cccc([C@H](C)CC(=O)Nc2cccc(CS(N)(=O)=O)c2)c1 COc1cccc(c1)[*:1] C[C@H](CC(=O)Nc1cccc(c1)CS(N)(=O)=O)[*:1]
Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2cn3cc(Cl)ccc3n2)n1 Cc1csc(n1)S[*:1] O=C(OCc1cn2cc(Cl)ccc2n1)c1cc(ccc1[*:1])[N+](=O)[O-]
Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2cn3cc(Cl)ccc3n2)n1 O=[N+]([O-])[*:1] Cc1csc(n1)Sc1ccc(cc1C(=O)OCc1cn2cc(Cl)ccc2n1)[*:1]
Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2cn3cc(Cl)ccc3n2)n1 Cc1csc(n1)[*:1] O=C(OCc1cn2cc(Cl)ccc2n1)c1cc(ccc1S[*:1])[N+](=O)[O-]
Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2cn3cc(Cl)ccc3n2)n1 Clc1ccc2nc(cn2c1)[*:1] Cc1csc(n1)Sc1ccc(cc1C(=O)OC[*:1])[N+](=O)[O-]
O=C(Nc1ccccc1-n1ccnc1)C1CCC1 C1CC(C1)[*:1] O=C(Nc1ccccc1-n1ccnc1)[*:1]
O=C(Nc1ccccc1-n1ccnc1)C1CCC1 c1cn(cn1)[*:1] O=C(Nc1ccccc1[*:1])C1CCC1
Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2S(C)(=O)=O)n1 c1cnc(nc1)N[*:1] Cc1nc(cc(n1)[*:1])[C@H]1CCCN1S(C)(=O)=O
Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2S(C)(=O)=O)n1 c1cnc(nc1)[*:1] Cc1nc(cc(n1)[C@H]1CCCN1S(C)(=O)=O)N[*:1]
C[NH+](C)CCn1c2c(c(SCC(=O)Nc3cc(Cl)ccc3Cl)nc1=O)CCC2 Clc1ccc(Cl)c(c1)[*:1] C[NH+](C)CCn1c2CCCc2c(nc1=O)SCC(=O)N[*:1]
CC(C)COC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccco1 CC(C)C[*:1] O=C(N[C@H](CO[*:1])c1ccco1)N1CCS(=O)(=O)CC1
CC(C)COC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccco1 CC(C)[*:1] O=C(N[C@H](COC[*:1])c1ccco1)N1CCS(=O)(=O)CC1
CC(C)COC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccco1 CC(C)CO[*:1] O=C(N[C@H](C[*:1])c1ccco1)N1CCS(=O)(=O)CC1
CC(C)COC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccco1 CC(C)COC[*:1] O=C(N[C@@H](c1ccco1)[*:1])N1CCS(=O)(=O)CC1
CC(C)COC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccco1 c1coc(c1)[*:1] CC(C)COC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)[*:1]
Cc1nc(-c2cccc(NC(=O)NNc3cnccn3)c2)oc1C Cc1nc(oc1C)[*:1] O=C(NNc1cnccn1)Nc1cccc(c1)[*:1]
Cc1nc(-c2cccc(NC(=O)NNc3cnccn3)c2)oc1C c1cnc(cn1)[*:1] Cc1nc(oc1C)-c1cccc(c1)NC(=O)NN[*:1]
COc1ccc([C@]2(CCN3C(=O)CCC3=O)CCOC(C)(C)C2)cc1 O=C1CCC(=O)N1[*:1] COc1ccc(cc1)[C@@]1(CCOC(C)(C)C1)CC[*:1]
COc1ccc([C@]2(CCN3C(=O)CCC3=O)CCOC(C)(C)C2)cc1 O=C1CCC(=O)N1C[*:1] COc1ccc(cc1)[C@@]1(CCOC(C)(C)C1)C[*:1]
COc1ccc([C@]2(CCN3C(=O)CCC3=O)CCOC(C)(C)C2)cc1 COc1ccc(cc1)[*:1] CC1(C)C[C@@](CCO1)(CCN1C(=O)CCC1=O)[*:1]
COc1ccc2[nH]cc(C(=O)Nc3ccccc3OC)c(=O)c2c1 COc1ccccc1[*:1] COc1ccc2[nH]cc(C(=O)N[*:1])c(=O)c2c1
CC[C@H](Sc1ccc(O)cc1)C(=O)Nc1ccc(OC)cc1 Oc1ccc(cc1)[*:1] CC[C@H](S[*:1])C(=O)Nc1ccc(cc1)OC
Cc1cc2c(cc1C)O[C@H](C(=O)N(C)[C@H](C)CC#N)C2 N#CC[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N(C)[C@H](C)[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)N(C)[C@H](C)CC#N)C2 C[C@H](CC#N)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N(C)[*:1]
CC1CC[NH+](CCCNC(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] CC1CC[NH+](CCCNC(=O)Nc2ccccc2[*:1])CC1
CC[C@H]1CCC[C@H](O[C@@H]2CC[C@]([NH2+]C(C)C)(C(=O)[O-])C2)C1 CC(C)[*:1] CC[C@H]1CCC[C@@H](C1)O[C@@H]1CC[C@](C1)([NH2+][*:1])C(=O)[O-]
CC[C@H]1CCC[C@H](O[C@@H]2CC[C@]([NH2+]C(C)C)(C(=O)[O-])C2)C1 O=C([O-])[*:1] CC[C@H]1CCC[C@@H](C1)O[C@@H]1CC[C@@](C1)([NH2+]C(C)C)[*:1]
Cc1cncc(/C=C/C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 CC(C)(C)[*:1] Cc1cncc(/C=C/C(=O)N2C[C@H](C)N(C[C@@H]2C)C(=O)O[*:1])c1
Cc1cncc(/C=C/C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 Cc1cncc(c1)[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)C=C[*:1]
O=C(CN1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1)NC1CC1 Brc1ccc(s1)[*:1] O=C(CN1CCN(CC1)C(=O)C=C[*:1])NC1CC1
O=C(CN1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)C(=O)/C=C/c1ccc(Br)s1)N[*:1]
O=C(CN1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(/C=C/c1ccc(Br)s1)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)/C=C/c2ccc(Br)s2)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(/C=C/c1ccc(Br)s1)N1CCN(CC1)[*:1]
CCOC(=O)N1CCN(C(=O)COc2ccc(OC)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCOC(=O)N1CCN(CC1)C(=O)COc1ccc(cc1[*:1])OC
Cc1ccc(NC(=O)CN(C)C(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C(=O)N(C)CC(=O)N[*:1])C(C)C
Cc1ccc(NC(=O)CN(C)C(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)[C@H](NC(=O)c1cccc(C)c1)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)[C@H](NC(=O)[*:1])C(C)C
CNC(=O)c1[nH]cnc1Nc1scc(-c2ccc(Cl)cc2)[n+]1-c1ccccc1 Clc1ccc(cc1)[*:1] CNC(=O)c1[nH]cnc1Nc1scc([n+]1-c1ccccc1)[*:1]
CNC(=O)c1[nH]cnc1Nc1scc(-c2ccc(Cl)cc2)[n+]1-c1ccccc1 CNC(=O)[*:1] Clc1ccc(cc1)-c1csc(Nc2nc[nH]c2[*:1])[n+]1-c1ccccc1
CNC(=O)c1[nH]cnc1Nc1scc(-c2ccc(Cl)cc2)[n+]1-c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)c1[nH]cnc1Nc1scc(-c2ccc(Cl)cc2)[n+]1[*:1]
CN(C(=O)C[NH+](CCC(F)(F)F)C1CCCC1)C1(C#N)CCCCC1 FC(F)(F)[*:1] CN(C(=O)C[NH+](CC[*:1])C1CCCC1)C1(C#N)CCCCC1
CN(C(=O)C[NH+](CCC(F)(F)F)C1CCCC1)C1(C#N)CCCCC1 C1CCC(C1)[*:1] CN(C(=O)C[NH+](CCC(F)(F)F)[*:1])C1(C#N)CCCCC1
CN(C(=O)C[NH+](CCC(F)(F)F)C1CCCC1)C1(C#N)CCCCC1 FC(F)(F)C[*:1] CN(C(=O)C[NH+](C[*:1])C1CCCC1)C1(C#N)CCCCC1
CN(C(=O)C[NH+](CCC(F)(F)F)C1CCCC1)C1(C#N)CCCCC1 FC(F)(F)CC[*:1] CN(C(=O)C[NH+](C1CCCC1)[*:1])C1(C#N)CCCCC1
CN(C(=O)C[NH+](CCC(F)(F)F)C1CCCC1)C1(C#N)CCCCC1 N#CC1(CCCCC1)[*:1] CN(C(=O)C[NH+](CCC(F)(F)F)C1CCCC1)[*:1]
CC(=O)Nc1ccc(Cl)c(NCc2cn3c(C)cccc3[nH+]2)c1 CC(=O)N[*:1] Cc1cccc2[nH+]c(cn12)CNc1cc(ccc1Cl)[*:1]
COc1ccc(O[C@@H](C)C(=O)N(CC(F)F)C2CC2)cc1 FC(F)[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)N(C[*:1])C1CC1
COc1ccc(O[C@@H](C)C(=O)N(CC(F)F)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)N(CC(F)F)[*:1]
COc1ccc(O[C@@H](C)C(=O)N(CC(F)F)C2CC2)cc1 FC(F)C[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)N(C1CC1)[*:1]
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)CC[NH+](C)C)c12 Fc1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)N(C)CC[NH+](C)C)c12)[*:1]
C[C@@H]1CCCN(C(=O)c2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2)C1 C[C@@H]1CCCN(C1)C(=O)[*:1] O=c1c2ccccc2[nH]c(=S)n1-c1ccc(cc1)[*:1]
O=C(/C=C/c1cncc(F)c1)Nc1ccc(F)cc1OCC(F)(F)F Fc1cncc(c1)[*:1] O=C(C=C[*:1])Nc1ccc(F)cc1OCC(F)(F)F
O=C(/C=C/c1cncc(F)c1)Nc1ccc(F)cc1OCC(F)(F)F FC(F)(F)CO[*:1] O=C(/C=C/c1cncc(F)c1)Nc1ccc(F)cc1[*:1]
O=C(/C=C/c1cncc(F)c1)Nc1ccc(F)cc1OCC(F)(F)F FC(F)(F)C[*:1] O=C(/C=C/c1cncc(F)c1)Nc1ccc(F)cc1O[*:1]
O=C(/C=C/c1cncc(F)c1)Nc1ccc(F)cc1OCC(F)(F)F FC(F)(F)[*:1] O=C(/C=C/c1cncc(F)c1)Nc1ccc(F)cc1OC[*:1]
N#Cc1c2ccccc2cn1CCCCC(=O)[O-] O=C([O-])CCC[*:1] N#Cc1c2ccccc2cn1C[*:1]
N#Cc1c2ccccc2cn1CCCCC(=O)[O-] O=C([O-])[*:1] N#Cc1c2ccccc2cn1CCCC[*:1]
N#Cc1c2ccccc2cn1CCCCC(=O)[O-] O=C([O-])CC[*:1] N#Cc1c2ccccc2cn1CC[*:1]
N#Cc1c2ccccc2cn1CCCCC(=O)[O-] O=C([O-])C[*:1] N#Cc1c2ccccc2cn1CCC[*:1]
COc1ccc(NC(=S)N2CC[NH+](CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1 COc1ccc(cc1)[*:1] O=C1c2cccc3cccc(C(=O)N1CC[NH+]1CCN(CC1)C(=S)N[*:1])c23
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)sc2cc(ccc21)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)cc1 Cc1ccc(cc1)C[*:1] Cn1c(=O)sc2cc(ccc21)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@H](NC(=O)N(C)Cc1ccccc1N1CCCC1)C(C)(C)C[NH+](C)C C1CCN(C1)[*:1] C[C@H](NC(=O)N(C)Cc1ccccc1[*:1])C(C)(C)C[NH+](C)C
C[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](CC1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](CC1)C[*:1]
C[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](CC2CC2)CC1 C[C@H]1OCC[C@H]1[*:1] O=C(N1CC[NH+](CC1)CC1CC1)[*:1]
COc1ccc(C2=C[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)N=N2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C1=C[C@@H](N=N1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(C2=C[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)N=N2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)[C@H]1C=C(N=N1)[*:1]
Cn1nc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)ccc1=O Cn1nc(ccc1=O)[*:1] Cn1ncc2c(ncnc21)N1CCN(CC1)C(=O)[*:1]
C[S@@](=O)c1nncn1Cc1csc(C2CCCC2)n1 C1CCC(C1)[*:1] C[S@@](=O)c1nncn1Cc1csc(n1)[*:1]
COC(=O)CCN(CC(C)C)C(=O)c1ccc(Cl)nc1Cl COC(=O)[*:1] CC(C)CN(CC[*:1])C(=O)c1ccc(Cl)nc1Cl
COC(=O)CCN(CC(C)C)C(=O)c1ccc(Cl)nc1Cl COC(=O)C[*:1] CC(C)CN(C[*:1])C(=O)c1ccc(Cl)nc1Cl
COC(=O)CCN(CC(C)C)C(=O)c1ccc(Cl)nc1Cl CC(C)C[*:1] COC(=O)CCN(C(=O)c1ccc(Cl)nc1Cl)[*:1]
COC(=O)CCN(CC(C)C)C(=O)c1ccc(Cl)nc1Cl CC(C)[*:1] COC(=O)CCN(C[*:1])C(=O)c1ccc(Cl)nc1Cl
COC(=O)CCN(CC(C)C)C(=O)c1ccc(Cl)nc1Cl COC(=O)CC[*:1] CC(C)CN(C(=O)c1ccc(Cl)nc1Cl)[*:1]
Cc1cccc(NC(=O)NC[C@H](c2cccnc2)c2c[nH]c3ccccc23)c1 c1cncc(c1)[*:1] Cc1cccc(c1)NC(=O)NC[C@H](c1c[nH]c2ccccc12)[*:1]
Cc1cccc(NC(=O)NC[C@H](c2cccnc2)c2c[nH]c3ccccc23)c1 c1ccc2c(c[nH]c2c1)[*:1] Cc1cccc(c1)NC(=O)NC[C@H](c1cccnc1)[*:1]
Cc1cccc(NC(=O)NC[C@H](c2cccnc2)c2c[nH]c3ccccc23)c1 Cc1cccc(c1)[*:1] O=C(NC[C@H](c1cccnc1)c1c[nH]c2ccccc12)N[*:1]
COc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1C Cc1ccc(cc1)[*:1] COc1ccc(cc1C)S(=O)(=O)NC[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1C COc1ccc(cc1C)[*:1] Cc1ccc(cc1)N1C[C@@H](CNS(=O)(=O)[*:1])CC1=O
CNC(=O)CC1CCN(C(=O)c2ccc(F)cc2)CC1 CNC(=O)C[*:1] O=C(c1ccc(F)cc1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)c2ccc(F)cc2)CC1 CNC(=O)[*:1] O=C(c1ccc(F)cc1)N1CCC(CC1)C[*:1]
O=C(NC[C@@H]1CCOC1)NC[C@@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] O=C(NC[C@@H]1CCOC1)NC[C@@H]1CC[C@H](O1)[*:1]
O=C(NC[C@@H]1CCOC1)NC[C@@H]1CC[C@H](C(=O)[O-])O1 C1C[C@H](CO1)C[*:1] O=C(NC[C@@H]1CC[C@@H](O1)C(=O)[O-])N[*:1]
O=C(NC[C@@H]1CCOC1)NC[C@@H]1CC[C@H](C(=O)[O-])O1 C1C[C@H](CO1)[*:1] O=C(NC[C@@H]1CC[C@@H](O1)C(=O)[O-])NC[*:1]
Cc1c(NS(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c(=O)n(-c2ccccc2)n1C O=S(=O)(c1ccccc1)[*:1] Cc1c(NS(=O)(=O)c2ccc(s2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NS(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NS(=O)(=O)c2ccc(s2)S(=O)(=O)c2ccccc2)c(=O)n(n1C)[*:1]
Cc1c(NS(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NS(=O)(=O)c2ccc(s2)S(=O)(=O)[*:1])c(=O)n(-c2ccccc2)n1C
CCC[C@H](NC(=O)c1ccc(C(C)=O)s1)c1ccccc1 CC(=O)[*:1] CCC[C@H](NC(=O)c1ccc(s1)[*:1])c1ccccc1
CCC[C@H](NC(=O)c1ccc(C(C)=O)s1)c1ccccc1 CCC[*:1] CC(=O)c1ccc(s1)C(=O)N[C@H](c1ccccc1)[*:1]
CCC[C@H](NC(=O)c1ccc(C(C)=O)s1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](NC(=O)c1ccc(s1)C(C)=O)[*:1]
CC1(C)CN(CCOC(c2ccccc2)c2ccccc2)CC[S@]1=O c1ccc(cc1)[*:1] CC1(C)CN(CCOC(c2ccccc2)[*:1])CC[S@]1=O
COC(=O)CCC(=O)Nc1nc(C(C)C)cs1 CC(C)[*:1] COC(=O)CCC(=O)Nc1nc(cs1)[*:1]
COC(=O)CCC(=O)Nc1nc(C(C)C)cs1 COC(=O)[*:1] CC(C)c1csc(n1)NC(=O)CC[*:1]
COC(=O)CCC(=O)Nc1nc(C(C)C)cs1 COC(=O)C[*:1] CC(C)c1csc(n1)NC(=O)C[*:1]
[NH3+]C1(CC(=O)N[C@H](c2cccs2)C2CCCC2)CCC1 C1CCC(C1)[*:1] [NH3+]C1(CCC1)CC(=O)N[C@H](c1cccs1)[*:1]
[NH3+]C1(CC(=O)N[C@H](c2cccs2)C2CCCC2)CCC1 c1csc(c1)[*:1] [NH3+]C1(CCC1)CC(=O)N[C@H](C1CCCC1)[*:1]
Cn1c(=O)c2c(SCc3ccc(Br)cc3)nc(-c3cccs3)nc2n(C)c1=O Brc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1cccs1)SC[*:1]
Cn1c(=O)c2c(SCc3ccc(Br)cc3)nc(-c3cccs3)nc2n(C)c1=O Brc1ccc(cc1)CS[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1cccs1)[*:1]
Cn1c(=O)c2c(SCc3ccc(Br)cc3)nc(-c3cccs3)nc2n(C)c1=O Brc1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1cccs1)S[*:1]
Cn1c(=O)c2c(SCc3ccc(Br)cc3)nc(-c3cccs3)nc2n(C)c1=O c1csc(c1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)[*:1])SCc1ccc(Br)cc1
Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2c[nH+]c3n2CCC3)c1 Cc1ccc(Cl)cc1[*:1] O=S(=O)([N-]c1cccc(c1)-c1c[nH+]c2CCCn12)[*:1]
C=C(C)[C@H]([NH2+]C)C1(c2ccccc2)CC1 C=C(C)[*:1] C[NH2+][C@H](C1(CC1)c1ccccc1)[*:1]
Cc1cc(C)n(CC(=O)N/N=C2/C[C@@H]3C[C@H]2[C@H]2CCC[C@H]32)n1 Cc1cc(C)n(n1)[*:1] O=C(C[*:1])N/N=C1/C[C@@H]2C[C@H]1[C@H]1CCC[C@H]21
COC(=O)[C@@H]1CCCCN1Cc1cnn(C)c1C COC(=O)[*:1] Cc1c(cnn1C)CN1CCCC[C@H]1[*:1]
CCOc1ccc(C(C)=O)cc1CS(C)(=O)=O CS(=O)(=O)[*:1] CCOc1ccc(cc1C[*:1])C(C)=O
CCOc1ccc(C(C)=O)cc1CS(C)(=O)=O CC(=O)[*:1] CCOc1ccc(cc1CS(C)(=O)=O)[*:1]
CCOc1ccc(C(C)=O)cc1CS(C)(=O)=O CS(=O)(=O)C[*:1] CCOc1ccc(cc1[*:1])C(C)=O
CCOc1ccc(C(C)=O)cc1CS(C)(=O)=O CCO[*:1] CC(=O)c1ccc(c(c1)CS(C)(=O)=O)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)C(F)(F)[C@]2(F)OC(F)(F)C(F)(F)C2(F)F)cc1 CCN(CC)C(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F
CCOCc1ccccc1NC(=O)NCc1cn(C)nc1CC CCO[*:1] CCc1nn(C)cc1CNC(=O)Nc1ccccc1C[*:1]
CCOCc1ccccc1NC(=O)NCc1cn(C)nc1CC CCOC[*:1] CCc1nn(C)cc1CNC(=O)Nc1ccccc1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)CN2C[C@@H](C)S[C@H](C)C2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)CN2C[C@@H](C)S[C@H](C)C2)c(C)c1[*:1]
Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C1)C(=O)[*:1]
Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C1)C(=O)C[*:1]
Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)Cc2ccccc2)C1 Cc1ccccc1[*:1] C[C@@]1(CCCN(C1)C(=O)Cc1ccccc1)C(=O)NC[*:1]
Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)Cc2ccccc2)C1 Cc1ccccc1C[*:1] C[C@@]1(CCCN(C1)C(=O)Cc1ccccc1)C(=O)N[*:1]
C[C@@H](Sc1nccn1-c1ccc(Br)cc1)c1nc(N)nc(N(C)C)n1 CN(C)[*:1] C[C@@H](Sc1nccn1-c1ccc(Br)cc1)c1nc(N)nc(n1)[*:1]
C[C@@H](Sc1nccn1-c1ccc(Br)cc1)c1nc(N)nc(N(C)C)n1 Brc1ccc(cc1)[*:1] C[C@@H](Sc1nccn1[*:1])c1nc(N)nc(n1)N(C)C
COc1ccc(NC2=[NH+][C@@H](C(C)C)CS2)c(C)c1 CC(C)[*:1] COc1ccc(NC2=[NH+][C@@H](CS2)[*:1])c(C)c1
Cc1sc(NC(=O)[C@H](C)CCOc2ccccc2)c(C(N)=O)c1C c1ccc(cc1)OC[*:1] Cc1sc(NC(=O)[C@H](C)C[*:1])c(C(N)=O)c1C
Cc1sc(NC(=O)[C@H](C)CCOc2ccccc2)c(C(N)=O)c1C NC(=O)[*:1] Cc1sc(NC(=O)[C@H](C)CCOc2ccccc2)c(c1C)[*:1]
Cc1sc(NC(=O)[C@H](C)CCOc2ccccc2)c(C(N)=O)c1C c1ccc(cc1)[*:1] Cc1sc(NC(=O)[C@H](C)CCO[*:1])c(C(N)=O)c1C
Cc1sc(NC(=O)[C@H](C)CCOc2ccccc2)c(C(N)=O)c1C c1ccc(cc1)O[*:1] Cc1sc(NC(=O)[C@H](C)CC[*:1])c(C(N)=O)c1C
CCCCC[C@@H](C)[NH2+][C@H]1CC[C@H]([NH3+])C1 CCCC[*:1] C[C@H](C[*:1])[NH2+][C@H]1CC[C@H]([NH3+])C1
CCCCC[C@@H](C)[NH2+][C@H]1CC[C@H]([NH3+])C1 CCC[*:1] C[C@H](CC[*:1])[NH2+][C@H]1CC[C@H]([NH3+])C1
N#CCOc1cccc(CC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1 c1nnc(S[*:1])s1 N#CCOc1cccc(c1)CC(=O)Nc1ccc(c(Cl)c1)[*:1]
N#CCOc1cccc(CC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])Nc1ccc(Sc2nncs2)c(Cl)c1
N#CCOc1cccc(CC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1 c1nnc(s1)[*:1] N#CCOc1cccc(c1)CC(=O)Nc1ccc(S[*:1])c(Cl)c1
N#CCOc1cccc(CC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])Nc1ccc(Sc2nncs2)c(Cl)c1
CNC(=O)c1cccc(C(=O)O[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 FC(F)(F)[*:1] CNC(=O)c1cccc(c1)C(=O)O[C@@H]1CCC[C@H](C1)[*:1]
CNC(=O)c1cccc(C(=O)O[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 CNC(=O)[*:1] O=C(O[C@@H]1CCC[C@@H](C1)C(F)(F)F)c1cccc(c1)[*:1]
CC(=O)/C(=C\c1ccccc1)S(=O)(=O)c1ccccc1 CC(=O)[*:1] O=S(=O)(/C(=C/c1ccccc1)[*:1])c1ccccc1
CC(=O)/C(=C\c1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)/C(=C\c1ccccc1)S(=O)(=O)[*:1]
CC(=O)/C(=C\c1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)C(=C[*:1])S(=O)(=O)c1ccccc1
Cc1c([C@H]2C[C@@H]2C[NH2+]C2CC2)cnn1C C1CC1[*:1] Cc1c(cnn1C)[C@H]1C[C@@H]1C[NH2+][*:1]
CCOc1ccc(S(=O)(=O)NCC#CCOc2cccc(Br)c2)cc1C Brc1cccc(c1)O[*:1] CCOc1ccc(cc1C)S(=O)(=O)NCC#CC[*:1]
CCOc1ccc(S(=O)(=O)NCC#CCOc2cccc(Br)c2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)NCC#CCOc1cccc(Br)c1
CCOc1ccc(S(=O)(=O)NCC#CCOc2cccc(Br)c2)cc1C Brc1cccc(c1)[*:1] CCOc1ccc(cc1C)S(=O)(=O)NCC#CCO[*:1]
O=C1C[C@@H](c2ccco2)Cc2nccc(-c3ccccc3)c21 c1ccc(cc1)[*:1] O=C1C[C@H](Cc2nccc(c21)[*:1])c1ccco1
O=C1C[C@@H](c2ccco2)Cc2nccc(-c3ccccc3)c21 c1coc(c1)[*:1] O=C1C[C@@H](Cc2nccc(-c3ccccc3)c21)[*:1]
C[C@@H](OC(=O)C1(c2ccccc2)CCC1)[C@@H]1CCOC1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)C1(CCC1)[*:1])[C@@H]1CCOC1
C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)cc2N1 FC(F)(F)[*:1] C[C@@H]1C[C@H](n2nc(cc2N1)[C@@H]1CCN(C1)C(=O)[C@@H]1CC=CCC1)[*:1]
CSc1cccc(NC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)c1 CSc1cccc(c1)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)N[*:1]
O=[S@](CCn1cccn1)Cc1nc(Cc2cccc(Br)c2)no1 c1cnn(c1)C[*:1] O=[S@@](Cc1nc(Cc2cccc(Br)c2)no1)C[*:1]
O=[S@](CCn1cccn1)Cc1nc(Cc2cccc(Br)c2)no1 c1cnn(c1)CC[*:1] O=[S@](Cc1nc(Cc2cccc(Br)c2)no1)[*:1]
O=[S@](CCn1cccn1)Cc1nc(Cc2cccc(Br)c2)no1 Brc1cccc(c1)[*:1] O=[S@](CCn1cccn1)Cc1nc(C[*:1])no1
O=[S@](CCn1cccn1)Cc1nc(Cc2cccc(Br)c2)no1 c1cnn(c1)[*:1] O=[S@](CC[*:1])Cc1nc(Cc2cccc(Br)c2)no1
CC(C)(C)c1nc(CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)no1 O=C(N1CCCCC1)[*:1] CC(C)(C)c1nc(CN2C[C@@H](Oc3ccccc32)[*:1])no1
CC(C)(C)c1nc(CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)no1 CC(C)(C)c1nc(no1)[*:1] O=C([C@@H]1CN(C[*:1])c2ccccc2O1)N1CCCCC1
CC(C)(C)c1nc(CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)no1 CC(C)(C)[*:1] O=C([C@@H]1CN(Cc2noc(n2)[*:1])c2ccccc2O1)N1CCCCC1
C[C@H](CC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O)Cc1ccc(Cl)cc1 NC(=O)[*:1] C[C@H](CC(=O)N[C@H]1CCCCC[C@H]1[*:1])Cc1ccc(Cl)cc1
C[C@H](CC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O)C[*:1]
C[C@H](CC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@H](CC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O)[*:1]
C[C@@H]1CN(C(=O)[C@@H](C#N)c2ccccc2)C[C@H]1C c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H]1C)C(=O)[C@@H](C#N)[*:1]
Cc1ocnc1CNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 Cc1ocnc1C[*:1] C[C@@H](NC(=O)N[*:1])c1ccc2OCOc2c1
Cc1ocnc1CNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 Cc1ocnc1[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc2OCOc2c1
C[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] C[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H]1C[*:1]
C[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C c1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C
C[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C c1ccc(cc1)S[*:1] C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C)[*:1]
C[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H]1CNC(=O)O[*:1]
CS[C@@H]1CCC[C@@H]1N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CS[C@@H]1CCC[C@@H]1N(C)C(=O)CCc1cccc(c1)[*:1]
C=CCn1c(CNc2ccccc2)nnc1SC1CCCC1 C1CCC(C1)S[*:1] C=CCn1c(CNc2ccccc2)nnc1[*:1]
C=CCn1c(CNc2ccccc2)nnc1SC1CCCC1 c1ccc(cc1)[*:1] C=CCn1c(CN[*:1])nnc1SC1CCCC1
C=CCn1c(CNc2ccccc2)nnc1SC1CCCC1 c1ccc(cc1)N[*:1] C=CCn1c(C[*:1])nnc1SC1CCCC1
C=CCn1c(CNc2ccccc2)nnc1SC1CCCC1 C1CCC(C1)[*:1] C=CCn1c(CNc2ccccc2)nnc1S[*:1]
C=CCn1c(CNc2ccccc2)nnc1SC1CCCC1 C=CC[*:1] c1ccc(cc1)NCc1nnc(SC2CCCC2)n1[*:1]
O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)CN1CCCc2ccccc21 Fc1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])NNC(=O)CN1CCCc2ccccc21
CCN(CC(C)(C)O)C(=O)[C@@H]1Cc2ccccc2CN1 CC(C)(O)C[*:1] CCN(C(=O)[C@@H]1Cc2ccccc2CN1)[*:1]
CCN(CC(C)(C)O)C(=O)[C@@H]1Cc2ccccc2CN1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)[C@@H]1Cc2ccccc2CN1
CC(C)[NH+](C)Cc1ccccc1CNC(=O)Nc1ccccc1N(C)C CC(C)[*:1] CN(C)c1ccccc1NC(=O)NCc1ccccc1C[NH+](C)[*:1]
CC(C)[NH+](C)Cc1ccccc1CNC(=O)Nc1ccccc1N(C)C CN(C)[*:1] CC(C)[NH+](C)Cc1ccccc1CNC(=O)Nc1ccccc1[*:1]
COc1ccc(C2(CNC(=O)Cc3ccccc3)CCCCC2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)C1(CCCCC1)CNC(=O)[*:1]
COc1ccc(C2(CNC(=O)Cc3ccccc3)CCCCC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C1(CCCCC1)CNC(=O)C[*:1]
Cc1cc(F)cc(C#CCCl)c1 ClCC#C[*:1] Cc1cc(F)cc(c1)[*:1]
C[NH2+][C@@H](C)c1cc(F)ccc1OCC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[NH2+][C@@H](C)c1cc(F)ccc1OC[*:1]
C[NH2+][C@@H](C)c1cc(F)ccc1OCC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[NH2+][C@@H](C)c1cc(F)ccc1OCC[*:1]
Cc1cccc([C@H](O)CNC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@H](O)CNC(=O)c1ccc(cc1)C(=O)O[*:1]
Cc1cccc([C@H](O)CNC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)c1 CC(C)(C)OC(=O)[*:1] Cc1cccc(c1)[C@H](O)CNC(=O)c1ccc(cc1)[*:1]
Cc1cccc([C@H](O)CNC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)c1 Cc1cccc(c1)[*:1] CC(C)(C)OC(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[*:1]
CCOc1ccc(F)c(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)c1F CCO[*:1] O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)c1F c1ccc(cc1)[*:1] CCOc1ccc(F)c(C(=O)NC[C@@H]2C[C@H]2[*:1])c1F
C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CC1 c1ccc(cc1)C[*:1] C[C@@H]1CCCN(CC1)C(=O)c1cccc(c1)S(=O)(=O)[*:1]
C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CC1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(CC1)C(=O)c1cccc(c1)S(=O)(=O)C[*:1]
CC[C@@H](C)N(CC(=O)Nc1ccon1)C(=O)CC(C)C CC[C@@H](C)[*:1] CC(C)CC(=O)N(CC(=O)Nc1ccon1)[*:1]
CC[C@@H](C)N(CC(=O)Nc1ccon1)C(=O)CC(C)C CC(C)[*:1] CC[C@@H](C)N(CC(=O)Nc1ccon1)C(=O)C[*:1]
CC[C@@H](C)N(CC(=O)Nc1ccon1)C(=O)CC(C)C c1cc(no1)[*:1] CC[C@@H](C)N(CC(=O)N[*:1])C(=O)CC(C)C
CC[C@@H](C)N(CC(=O)Nc1ccon1)C(=O)CC(C)C CC(C)C[*:1] CC[C@@H](C)N(CC(=O)Nc1ccon1)C(=O)[*:1]
CC[C@@H](CSC)N(C)C(=O)Cc1c(C)noc1C CSC[*:1] CC[C@@H](N(C)C(=O)Cc1c(C)noc1C)[*:1]
CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[*:1]
CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccc(C)cc1 Cn1cc(cn1)[*:1] CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)[*:1])c1ccc(C)cc1
NC(=O)COc1coc(C[NH+]2CCc3ccccc3C2)cc1=O NC(=O)[*:1] O=c1cc(C[NH+]2CCc3ccccc3C2)occ1OC[*:1]
NC(=O)COc1coc(C[NH+]2CCc3ccccc3C2)cc1=O NC(=O)C[*:1] O=c1cc(C[NH+]2CCc3ccccc3C2)occ1O[*:1]
NC(=O)COc1coc(C[NH+]2CCc3ccccc3C2)cc1=O NC(=O)CO[*:1] O=c1cc(C[NH+]2CCc3ccccc3C2)occ1[*:1]
CCNC(=O)N1CCN(Cc2ccco2)C[C@H]1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CCNC(=O)N1CCN(Cc2ccco2)C[C@H]1C(=O)N[*:1]
CCNC(=O)N1CCN(Cc2ccco2)C[C@H]1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)N1CCN(Cc2ccco2)C[C@H]1C(=O)NC[*:1]
CCNC(=O)N1CCN(Cc2ccco2)C[C@H]1C(=O)NCc1ccccc1 c1coc(c1)C[*:1] CCNC(=O)N1CCN(C[C@H]1C(=O)NCc1ccccc1)[*:1]
CCNC(=O)N1CCN(Cc2ccco2)C[C@H]1C(=O)NCc1ccccc1 c1coc(c1)[*:1] CCNC(=O)N1CCN(C[C@H]1C(=O)NCc1ccccc1)C[*:1]
C[C@@H](NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)C(=O)Nc1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)C(=O)Nc1cccc(c1)[*:1]
CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2C Cc1ccc(cc1)[*:1] CCOC(=O)c1cc(nc2c1c(=O)n(C[*:1])c(=O)n2C)C1CC1
CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2C CCOC(=O)[*:1] Cc1ccc(cc1)Cn1c(=O)c2c(cc(nc2n(C)c1=O)C1CC1)[*:1]
CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2C C1CC1[*:1] CCOC(=O)c1cc(nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2C)[*:1]
CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2C Cc1ccc(cc1)C[*:1] CCOC(=O)c1cc(nc2c1c(=O)n(c(=O)n2C)[*:1])C1CC1
O=C1CN(C(=O)NCc2ccc(Cn3cncn3)cc2)CCN1 c1ncn(C[*:1])n1 O=C1CN(CCN1)C(=O)NCc1ccc(cc1)[*:1]
O=C1CN(C(=O)NCc2ccc(Cn3cncn3)cc2)CCN1 c1ncn(n1)[*:1] O=C1CN(CCN1)C(=O)NCc1ccc(cc1)C[*:1]
CCn1cc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 CCn1cc(cn1)[*:1] O=C(Nc1ccccc1)[C@@H](NC(=O)[*:1])c1ccccc1
CCn1cc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)C(=O)N[C@H](C(=O)Nc1ccccc1)[*:1]
CCn1cc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)C(=O)N[C@H](C(=O)N[*:1])c1ccccc1
O=C(NCC1CCN(c2ncccn2)CC1)c1cc(=O)c2ccccc2o1 c1cnc(nc1)[*:1] O=C(NCC1CCN(CC1)[*:1])c1cc(=O)c2ccccc2o1
CN(C)c1nc(Cl)nc(NCCC(=O)NC2CC2)n1 C1CC1[*:1] CN(C)c1nc(Cl)nc(n1)NCCC(=O)N[*:1]
CN(C)c1nc(Cl)nc(NCCC(=O)NC2CC2)n1 CN(C)[*:1] O=C(CCNc1nc(Cl)nc(n1)[*:1])NC1CC1
CN(C)c1nc(Cl)nc(NCCC(=O)NC2CC2)n1 O=C(NC1CC1)[*:1] CN(C)c1nc(Cl)nc(n1)NCC[*:1]
O=C(NCCc1c[nH]c2ccccc12)C1CN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] O=C(NCCc1c[nH]c2ccccc12)C1CN(C1)C(=O)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)CCn2cc(C)cn2)c1 CNC(=O)[*:1] Cc1cnn(c1)CCC(=O)Nc1cc(ccc1Cl)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)CCn2cc(C)cn2)c1 Cc1cnn(c1)C[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)C[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)CCn2cc(C)cn2)c1 Cc1cnn(c1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)CC[*:1]
O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 c1ccc(cc1)O[*:1] O=c1c2ccccc2nc(C[*:1])n1/N=C/c1c[nH]c2ccccc12
O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 c1ccc(cc1)OC[*:1] O=c1c2ccccc2nc(n1/N=C/c1c[nH]c2ccccc12)[*:1]
O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=c1c2ccccc2nc(CO[*:1])n1/N=C/c1c[nH]c2ccccc12
O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=c1c2ccccc2nc(COc2ccccc2)n1N=C[*:1]
O=C(NCc1nc(C2CC2)cs1)N[C@H]1CCCC[C@@H]1OC1CCCC1 c1sc(nc1C1CC1)[*:1] O=C(NC[*:1])N[C@H]1CCCC[C@@H]1OC1CCCC1
O=C(NCc1nc(C2CC2)cs1)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(NCc1nc(cs1)C1CC1)N[C@H]1CCCC[C@H]1[*:1]
O=C(NCc1nc(C2CC2)cs1)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(NCc1nc(cs1)C1CC1)N[C@H]1CCCC[C@@H]1O[*:1]
O=C(NCc1nc(C2CC2)cs1)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CC1[*:1] O=C(NCc1nc(cs1)[*:1])N[C@H]1CCCC[C@@H]1OC1CCCC1
O=C(CC[C@@H]1CCCc2cccnc21)c1ccccc1 c1ccc(cc1)[*:1] O=C(CC[C@@H]1CCCc2cccnc21)[*:1]
Cc1nnc([C@H]2CCCN(C(=O)NC(c3ccccc3)c3ccccc3)C2)s1 Cc1nnc(s1)[*:1] O=C(NC(c1ccccc1)c1ccccc1)N1CCC[C@@H](C1)[*:1]
Cc1nnc([C@H]2CCCN(C(=O)NC(c3ccccc3)c3ccccc3)C2)s1 c1ccc(cc1)[*:1] Cc1nnc(s1)[C@H]1CCCN(C1)C(=O)NC(c1ccccc1)[*:1]
COc1ccc(NC(=O)N2CCN(c3nc(C)cs3)CC2)cc1F Cc1csc(n1)[*:1] COc1ccc(cc1F)NC(=O)N1CCN(CC1)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)N(C)[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)C[C@@H](C)NC(=O)N(C)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)N(C)[C@@H](C)CC CC[C@H](C)C[*:1] CC[C@H](C)N(C)C(=O)N[C@H](C)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)N(C)[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)N(C)C(=O)N[C@H](C)C[*:1]
COC(=O)c1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 COC(=O)[*:1] O=C1CS[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(cc1)[*:1]
COC(=O)c1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 Clc1ccc(cc1Cl)[*:1] COC(=O)c1ccc(cc1)N1C(=O)CS[C@H]1[*:1]
C[C@@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccncc1 c1cnc(cn1)[*:1] C[C@@H](NC(=O)c1cccc(c1)O[*:1])c1ccncc1
C[C@@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccncc1 c1cnc(cn1)O[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])c1ccncc1
C[C@@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)c1cccc(c1)Oc1cnccn1)[*:1]
C[C@@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccncc1 C[C@@H](c1ccncc1)[*:1] O=C(N[*:1])c1cccc(c1)Oc1cnccn1
COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)c2c(C)nn(C)c2C)c1 Cc1nn(C)c(C)c1[*:1] COc1ccc(OC)c(c1)[C@@H](C)NC(=O)[C@@H](C)[*:1]
Cc1cscc1CNc1ccc(C#N)c(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cscc1CNc1ccc(C#N)c(c1)[*:1]
Cc1cscc1CNc1ccc(C#N)c(C(F)(F)F)c1 Cc1cscc1[*:1] N#Cc1ccc(cc1C(F)(F)F)NC[*:1]
CC[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccccc1 C1CO[C@H](C1)[*:1] CC[C@H](NC(=O)C[NH2+]C[*:1])c1ccccc1
CC[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)[*:1]
Cc1ccn2c(=O)c(C(=O)Nc3ccccc3SC(F)F)cnc2c1 FC(F)S[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)Nc1ccccc1[*:1]
Cc1ccn2c(=O)c(C(=O)Nc3ccccc3SC(F)F)cnc2c1 FC(F)[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)Nc1ccccc1S[*:1]
O=S(=O)(Cc1ccccc1Cl)NCCc1csc(-c2ccc(F)cc2)n1 Clc1ccccc1C[*:1] O=S(=O)(NCCc1csc(n1)-c1ccc(F)cc1)[*:1]
O=S(=O)(Cc1ccccc1Cl)NCCc1csc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=S(=O)(Cc1ccccc1Cl)NCCc1csc(n1)[*:1]
O=S(=O)(Cc1ccccc1Cl)NCCc1csc(-c2ccc(F)cc2)n1 Clc1ccccc1[*:1] O=S(=O)(C[*:1])NCCc1csc(n1)-c1ccc(F)cc1
C[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(N3CCN(c4cccc[nH+]4)CC3)ccc2c1 C[C@@H]1CCCCN1S(=O)(=O)[*:1] c1ccc([nH+]c1)N1CCN(CC1)c1ccc2cc(ccc2n1)[*:1]
N#C[C@H](c1ccccc1)N1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 c1ccc(cc1)[*:1] N#C[C@H](N1CC[NH+](CCc2ccc3OCCc3c2)CC1)[*:1]
CC(=O)NCCNC(=O)c1ccc(Cl)o1 CC(=O)NC[*:1] O=C(NC[*:1])c1ccc(Cl)o1
CC(=O)NCCNC(=O)c1ccc(Cl)o1 CC(=O)N[*:1] O=C(NCC[*:1])c1ccc(Cl)o1
CNC(=O)COc1ccccc1CN1CCO[C@@H](c2cccc(OC)c2)C1 CNC(=O)CO[*:1] COc1cccc(c1)[C@H]1CN(CCO1)Cc1ccccc1[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H](c2cccc(OC)c2)C1 COc1cccc(c1)[*:1] CNC(=O)COc1ccccc1CN1CCO[C@@H](C1)[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H](c2cccc(OC)c2)C1 CNC(=O)C[*:1] COc1cccc(c1)[C@H]1CN(CCO1)Cc1ccccc1O[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H](c2cccc(OC)c2)C1 CNC(=O)[*:1] COc1cccc(c1)[C@H]1CN(CCO1)Cc1ccccc1OC[*:1]
CCc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)c(C)cc2c1 CN(C)S(=O)(=O)[*:1] CCc1ccc2nc(SCC(=O)Nc3ccc(cc3)[*:1])c(C)cc2c1
CC1CCN(C(=O)Nc2nccnc2C(=O)[O-])CC1 O=C([O-])[*:1] CC1CCN(CC1)C(=O)Nc1nccnc1[*:1]
O=C(Nc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccco1 c1coc(c1)C[*:1] O=C(Nc1ccc(Cl)cc1)N(Cc1ccco1)[*:1]
O=C(Nc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(Cl)cc1)N(Cc1ccco1)C[*:1]
O=C(Nc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccco1 Clc1ccc(cc1)[*:1] O=C(N[*:1])N(Cc1ccco1)Cc1ccco1
COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3c[nH]c(=O)cn3)C2)cc1OC O=c1cnc(c[nH]1)[*:1] COc1ccc(cc1OC)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCN[C@@]1(C(=O)OC)CC[C@@H](OC(C)(C)C)C1 CC(C)(C)O[*:1] CCN[C@]1(CC[C@@H](C1)[*:1])C(=O)OC
CCN[C@@]1(C(=O)OC)CC[C@@H](OC(C)(C)C)C1 CC(C)(C)[*:1] CCN[C@]1(CC[C@H](C1)O[*:1])C(=O)OC
CCN[C@@]1(C(=O)OC)CC[C@@H](OC(C)(C)C)C1 COC(=O)[*:1] CCN[C@]1(CC[C@H](C1)OC(C)(C)C)[*:1]
CCN[C@@]1(C(=O)OC)CC[C@@H](OC(C)(C)C)C1 CCN[*:1] COC(=O)[C@]1(CC[C@H](C1)OC(C)(C)C)[*:1]
Cc1ccc(-c2nsc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)n2)s1 c1ccc(nc1)[*:1] Cc1ccc(s1)-c1nsc(n1)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(-c2nsc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)n2)s1 Cc1ccc(s1)[*:1] O=C(Nc1nc(ns1)[*:1])[C@@H]1CC(=O)N(Cc2ccccn2)C1
Cc1ccc(-c2nsc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)n2)s1 c1ccc(C[*:1])nc1 Cc1ccc(s1)-c1nsc(n1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)c3sc(OC)nc3C)CC2)c1 COc1cccc(c1)[*:1] COc1nc(C)c(s1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)c3sc(OC)nc3C)CC2)c1 COc1nc(C)c(s1)[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)NCC[NH+]1CCC(C)CC1 CCS(=O)(=O)[*:1] CC1CC[NH+](CCNC(=O)c2cc(Cl)ccc2[*:1])CC1
C[C@H](Sc1cccc(C[NH2+]C2CC2)c1)[C@@H](C)O C1CC1[*:1] C[C@H](Sc1cccc(c1)C[NH2+][*:1])[C@@H](C)O
C[C@H](Sc1cccc(C[NH2+]C2CC2)c1)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](Sc1cccc(c1)C[NH2+]C1CC1)[*:1]
C[C@H](Sc1cccc(C[NH2+]C2CC2)c1)[C@@H](C)O C[C@H]([C@@H](C)O)[*:1] c1cc(cc(c1)S[*:1])C[NH2+]C1CC1
C[NH+](C)C[C@@H](O)C[NH2+]Cc1c[nH]nc1C(C)(C)C CC(C)(C)[*:1] C[NH+](C)C[C@@H](O)C[NH2+]Cc1c[nH]nc1[*:1]
COc1ccc(N[C@H](C)C(=O)Nc2cc(C)no2)cn1 Cc1cc(on1)[*:1] COc1ccc(cn1)N[C@H](C)C(=O)N[*:1]
COc1ccc(OC)c(CCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c1 NC(=O)[*:1] COc1ccc(OC)c(c1)CCC(=O)N1Cc2ccccc2C[C@@H]1[*:1]
COC(=O)[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC(=O)[C@H](NC(=O)c1ccc2CCCc2c1)[*:1]
COC(=O)[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc(F)c(F)c1 COC(=O)[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)[*:1])c1ccc2CCCc2c1
COC(=O)c1cccc(NC(=O)NCC(C)C)c1C CC(C)[*:1] COC(=O)c1cccc(NC(=O)NC[*:1])c1C
COC(=O)c1cccc(NC(=O)NCC(C)C)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)NCC(C)C
COC(=O)c1cccc(NC(=O)NCC(C)C)c1C CC(C)C[*:1] COC(=O)c1cccc(NC(=O)N[*:1])c1C
C[C@H]1CN(c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C O=[N+]([O-])[*:1] C[C@H]1CN(C[C@@H]1C)c1ccc(cc1[*:1])C(=O)[O-]
C[C@H]1CN(c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C O=C([O-])[*:1] C[C@H]1CN(C[C@@H]1C)c1ccc(cc1[N+](=O)[O-])[*:1]
Cc1noc([C@H](NC(=O)NC[C@@H]2CCCO2)C(C)C)n1 CC(C)[*:1] Cc1noc(n1)[C@H](NC(=O)NC[C@@H]1CCCO1)[*:1]
Cc1noc([C@H](NC(=O)NC[C@@H]2CCCO2)C(C)C)n1 C1CO[C@@H](C1)C[*:1] Cc1noc(n1)[C@H](NC(=O)N[*:1])C(C)C
Cc1noc([C@H](NC(=O)NC[C@@H]2CCCO2)C(C)C)n1 Cc1noc(n1)[*:1] CC(C)[C@@H](NC(=O)NC[C@@H]1CCCO1)[*:1]
Cc1noc([C@H](NC(=O)NC[C@@H]2CCCO2)C(C)C)n1 C1CO[C@@H](C1)[*:1] Cc1noc(n1)[C@H](NC(=O)NC[*:1])C(C)C
COc1ccc2c(c1)[C@H](NC[C@@H](OC)c1ccc(F)cc1)CCCO2 Fc1ccc(cc1)[*:1] COc1ccc2OCCC[C@@H](NC[C@@H](OC)[*:1])c2c1
O=C(c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(c1cc(nc2onc(c12)[*:1])-c1ccco1)N1CCCCCC1
O=C(c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] c1ccc(cc1)-c1noc2nc(cc(c12)[*:1])-c1ccco1
O=C(c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12)N1CCCCCC1 c1coc(c1)[*:1] O=C(c1cc(nc2onc(-c3ccccc3)c12)[*:1])N1CCCCCC1
CC1(C)CCN(C(=O)c2ccc(OC3CCCC3)cc2)C1 C1CCC(C1)[*:1] CC1(C)CCN(C1)C(=O)c1ccc(cc1)O[*:1]
CC1(C)CCN(C(=O)c2ccc(OC3CCCC3)cc2)C1 C1CCC(C1)O[*:1] CC1(C)CCN(C1)C(=O)c1ccc(cc1)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[C@@H](C)c2ccc3c(c2)OCCO3)C1 c1cc2OCCOc2cc1[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1ccccc1NC(=O)[C@@H](C)[*:1]
O=C(COCc1cc(-c2cccs2)on1)Nc1cc(Cl)cc(Cl)c1 c1csc(c1)[*:1] O=C(COCc1cc(on1)[*:1])Nc1cc(Cl)cc(Cl)c1
O=C(COCc1cc(-c2cccs2)on1)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(COCc1cc(on1)-c1cccs1)N[*:1]
CC[C@@](C)([NH2+][C@H]1CC[C@H](C)[C@H](C)C1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)([NH2+][C@H]1CC[C@H](C)[C@H](C)C1)[*:1]
Cc1cccc(-n2c(SCC(=O)c3ccc4c(c3)NC(=O)CO4)nnc2C2=c3ccccc3=[NH+]C2)c1 O=C1COc2ccc(cc2N1)[*:1] Cc1cccc(c1)-n1c(nnc1C1C[NH+]=c2ccccc2=1)SCC(=O)[*:1]
Cc1cccc(-n2c(SCC(=O)c3ccc4c(c3)NC(=O)CO4)nnc2C2=c3ccccc3=[NH+]C2)c1 Cc1cccc(c1)[*:1] O=C1COc2ccc(cc2N1)C(=O)CSc1nnc(C2C[NH+]=c3ccccc3=2)n1[*:1]
CCCOCCC(=O)Nc1[nH]ncc1N CCCOC[*:1] Nc1cn[nH]c1NC(=O)C[*:1]
CCCOCCC(=O)Nc1[nH]ncc1N CCC[*:1] Nc1cn[nH]c1NC(=O)CCO[*:1]
CCCOCCC(=O)Nc1[nH]ncc1N CCCO[*:1] Nc1cn[nH]c1NC(=O)CC[*:1]
CS[C@@H]1CCC[C@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 N#Cc1ccccc1[*:1] CS[C@@H]1CCC[C@H]1NC(=O)N1CCCN(CC1)[*:1]
COc1ccccc1/C=C/C(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])C[*:1] COc1ccccc1/C=C/C(=O)N(C(C)(C)C)[*:1]
COc1ccccc1/C=C/C(=O)N(CC(=O)[O-])C(C)(C)C CC(C)(C)[*:1] COc1ccccc1/C=C/C(=O)N(CC(=O)[O-])[*:1]
COc1ccccc1/C=C/C(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])[*:1] COc1ccccc1/C=C/C(=O)N(C[*:1])C(C)(C)C
O=C(Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1)NC1CC1 O=C(NC1CC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cc(=O)c2ccccc2o1
O=C(Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1)NC1CC1 C1CC1[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cc(=O)c2ccccc2o1)N[*:1]
O=C(Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Nc1ccc(cc1)[*:1])c1cc(=O)c2ccccc2o1
C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2sc(C)cc21 C=CC[*:1] Cc1cc2c(cc(C(=O)N(C)Cc3ccccc3)n2[*:1])s1
C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2sc(C)cc21 c1ccc(cc1)[*:1] C=CCn1c(cc2sc(C)cc21)C(=O)N(C)C[*:1]
C=CCn1c(C(=O)N(C)Cc2ccccc2)cc2sc(C)cc21 c1ccc(cc1)C[*:1] C=CCn1c(cc2sc(C)cc21)C(=O)N(C)[*:1]
CC[NH+](Cc1cccc(SC)c1)CC1CCN(C2CC[NH+](C)CC2)CC1 CSc1cccc(c1)[*:1] CC[NH+](CC1CCN(CC1)C1CC[NH+](C)CC1)C[*:1]
COc1cccc([C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1 Clc1cccc(Cl)c1[*:1] COc1cccc(c1)[C@@]1(C)NC(=O)N(C[*:1])C1=O
COc1cccc([C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1 COc1cccc(c1)[*:1] C[C@]1(NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O)[*:1]
CSc1ccc(N2C[C@@H](C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)CC2=O)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NN1C(=O)N[C@](C)(C1=O)[*:1]
CSc1ccc(N2C[C@@H](C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)CC2=O)cc1 CSc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(NC(=O)[C@H]2CC(=O)N(C2)[*:1])C1=O)c1ccccc1
CCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C[*:1]
CCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1 CCc1ccc(cc1)[*:1] Cc1cc2nc(SCC(=O)N[*:1])n(CC(C)C)c(=O)c2[nH]1
CCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1 CC(C)C[*:1] CCc1ccc(cc1)NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[*:1]
CC[C@@H](C(=O)Nc1nnc(COC)s1)n1c(N)nnc1SC COC[*:1] CC[C@@H](C(=O)Nc1nnc(s1)[*:1])n1c(N)nnc1SC
Cc1c(N(C)[C@H](C)c2ccncc2)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])N(C)[C@H](C)c1ccncc1
Cc1c(N(C)[C@H](C)c2ccncc2)cc(C#N)cc1[N+](=O)[O-] c1cc(ccn1)[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N(C)[C@H](C)[*:1]
CN(Cc1csc(Br)c1)C(=O)C(=O)Nc1cccc(C#N)c1 Brc1cc(cs1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1cccc(C#N)c1
CN(Cc1csc(Br)c1)C(=O)C(=O)Nc1cccc(C#N)c1 Brc1cc(cs1)C[*:1] CN(C(=O)C(=O)Nc1cccc(C#N)c1)[*:1]
COC1CCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 CS(=O)(=O)[*:1] COC1CCN(CC1)C(=O)N[C@H](C)c1ccc(c(F)c1)[*:1]
CCOc1ncccc1CNC(=O)N1CCN(c2cnccn2)CC1 CCO[*:1] O=C(NCc1cccnc1[*:1])N1CCN(CC1)c1cnccn1
CCOc1ncccc1CNC(=O)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] CCOc1ncccc1CNC(=O)N1CCN(CC1)[*:1]
CCOCCN(C)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 CCOC[*:1] CN(C[*:1])C(=O)NC[C@@H]1CCN(C1)c1ccc(F)cc1
CCOCCN(C)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 CCO[*:1] CN(CC[*:1])C(=O)NC[C@@H]1CCN(C1)c1ccc(F)cc1
CCOCCN(C)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 CCOCC[*:1] CN(C(=O)NC[C@@H]1CCN(C1)c1ccc(F)cc1)[*:1]
CCOCCN(C)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCOCCN(C)C(=O)NC[C@@H]1CCN(C1)[*:1]
CCCc1sc(C(=O)NCCC(=O)[O-])cc1CC O=C([O-])CC[*:1] CCCc1sc(cc1CC)C(=O)N[*:1]
CCCc1sc(C(=O)NCCC(=O)[O-])cc1CC O=C([O-])C[*:1] CCCc1sc(cc1CC)C(=O)NC[*:1]
CCCc1sc(C(=O)NCCC(=O)[O-])cc1CC CCC[*:1] CCc1cc(sc1[*:1])C(=O)NCCC(=O)[O-]
CCCc1sc(C(=O)NCCC(=O)[O-])cc1CC O=C([O-])[*:1] CCCc1sc(cc1CC)C(=O)NCC[*:1]
COCCN(Cc1ccco1)C(=O)c1cc(C(C)C)n(C)n1 COC[*:1] CC(C)c1cc(nn1C)C(=O)N(Cc1ccco1)C[*:1]
COCCN(Cc1ccco1)C(=O)c1cc(C(C)C)n(C)n1 CC(C)[*:1] COCCN(Cc1ccco1)C(=O)c1cc(n(C)n1)[*:1]
COCCN(Cc1ccco1)C(=O)c1cc(C(C)C)n(C)n1 c1coc(c1)C[*:1] COCCN(C(=O)c1cc(C(C)C)n(C)n1)[*:1]
COCCN(Cc1ccco1)C(=O)c1cc(C(C)C)n(C)n1 c1coc(c1)[*:1] COCCN(C[*:1])C(=O)c1cc(C(C)C)n(C)n1
COCCN(Cc1ccco1)C(=O)c1cc(C(C)C)n(C)n1 COCC[*:1] CC(C)c1cc(nn1C)C(=O)N(Cc1ccco1)[*:1]
CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2)CC1 Clc1cccc(c1)C[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N(C)[*:1]
CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2)CC1 Clc1cccc(c1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N(C)C[*:1]
C[C@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(C(N)=O)cc1 C1CC1[*:1] C[C@H](Sc1nnc(n1C)[*:1])C(=O)Nc1ccc(cc1)C(N)=O
COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1[*:1]
COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1[N+](=O)[O-] Cc1ccccc1O[*:1] COc1ccc(/C=N/NC(=O)C[*:1])cc1[N+](=O)[O-]
COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1[N+](=O)[O-] Cc1ccccc1[*:1] COc1ccc(/C=N/NC(=O)CO[*:1])cc1[N+](=O)[O-]
Cc1ccc(S(=O)(=O)N(CC#N)C2CCCC2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC#N)[*:1]
Cc1ccc(S(=O)(=O)N(CC#N)C2CCCC2)cc1 N#CC[*:1] Cc1ccc(cc1)S(=O)(=O)N(C1CCCC1)[*:1]
O=C(NOC1CCCC1)Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] O=C(NOC1CCCC1)Nc1nc(cs1)[*:1]
O=C(NOC1CCCC1)Nc1nc(-c2cccnc2)cs1 C1CCC(C1)[*:1] O=C(NO[*:1])Nc1nc(cs1)-c1cccnc1
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCOc1cccc(Cl)c1 NC(=O)[*:1] C[C@H]1CC[C@H](CN1C(=O)CCOc1cccc(Cl)c1)[*:1]
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCOc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H]1CC[C@@H](CN1C(=O)CCO[*:1])C(N)=O
CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(Cl)cc1 CC(C)(C)[*:1] O=C(CCNC(=O)O[*:1])Nc1ccc(Cl)cc1
CCc1onc(C)c1NC(=O)N1CCC[C@@H](c2ccccc2)CC1 c1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)N1CCC[C@@H](CC1)[*:1]
CCc1onc(C)c1NC(=O)N1CCC[C@@H](c2ccccc2)CC1 CCc1onc(C)c1[*:1] O=C(N[*:1])N1CCC[C@H](CC1)c1ccccc1
CCC[C@@](C)(NC(=O)c1sc2ccccc2c1Cl)C(=O)OC CCC[*:1] COC(=O)[C@@](C)(NC(=O)c1sc2ccccc2c1Cl)[*:1]
CCC[C@@](C)(NC(=O)c1sc2ccccc2c1Cl)C(=O)OC COC(=O)[*:1] CCC[C@@](C)(NC(=O)c1sc2ccccc2c1Cl)[*:1]
C[NH+](C)[C@@H](CNC(=O)NNC(=O)c1cccc2ccccc12)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)NNC(=O)c1cccc2ccccc12)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(O)cc2)cc1 C1CO[C@@H](C1)C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(O)cc1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(O)cc2)cc1 COc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(O)cc2)N1C[C@@H]1CCCO1
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(O)cc2)cc1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(O)cc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(O)cc2)cc1 COc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(O)cc2)N1C[C@@H]1CCCO1)[*:1]
CC[C@H](C)[C@H](C)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 CC[C@H](C)[C@H](C)[*:1] O=C([O-])C[C@@H]1CN(CCO1)C(=O)N[*:1]
CC[C@H](C)[C@H](C)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])C[*:1] CC[C@H](C)[C@H](C)NC(=O)N1CCO[C@H](C1)[*:1]
CC[C@H](C)[C@H](C)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 CC[C@H](C)[*:1] C[C@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)[*:1]
CC[C@H](C)[C@H](C)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])[*:1] CC[C@H](C)[C@H](C)NC(=O)N1CCO[C@@H](C1)C[*:1]
COCCCOc1ccccc1NC(=O)c1cc(C#N)cs1 COCCC[*:1] N#Cc1csc(c1)C(=O)Nc1ccccc1O[*:1]
COCCCOc1ccccc1NC(=O)c1cc(C#N)cs1 N#Cc1csc(c1)[*:1] COCCCOc1ccccc1NC(=O)[*:1]
COCCCOc1ccccc1NC(=O)c1cc(C#N)cs1 COCCCO[*:1] N#Cc1csc(c1)C(=O)Nc1ccccc1[*:1]
COCCCOc1ccccc1NC(=O)c1cc(C#N)cs1 COC[*:1] N#Cc1csc(c1)C(=O)Nc1ccccc1OCC[*:1]
COCCCOc1ccccc1NC(=O)c1cc(C#N)cs1 COCC[*:1] N#Cc1csc(c1)C(=O)Nc1ccccc1OC[*:1]
CC(=O)[C@H]1NC(C)=C(C(=O)NC[C@@H]2C=NN=C2c2cccs2)[C@H]1C CC(=O)[*:1] CC1N[C@@H]([C@H](C)C=1C(=O)NC[C@@H]1C=NN=C1c1cccs1)[*:1]
CC(=O)[C@H]1NC(C)=C(C(=O)NC[C@@H]2C=NN=C2c2cccs2)[C@H]1C c1csc(c1)[*:1] CC(=O)[C@H]1NC(C)=C(C(=O)NC[C@@H]2C=NN=C2[*:1])[C@H]1C
CC(C)n1ncc2cc(NC(=O)c3cc(S(N)(=O)=O)c(Cl)cc3Cl)cnc21 NS(=O)(=O)[*:1] CC(C)n1ncc2cc(cnc21)NC(=O)c1cc(c(Cl)cc1Cl)[*:1]
CC(C)n1ncc2cc(NC(=O)c3cc(S(N)(=O)=O)c(Cl)cc3Cl)cnc21 CC(C)[*:1] NS(=O)(=O)c1cc(C(=O)Nc2cnc3c(cnn3[*:1])c2)c(Cl)cc1Cl
O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](C1)NS(=O)(=O)[*:1]
O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])O[C@H]1CCC[C@@H](C1)NS(=O)(=O)c1ccccc1
Cc1ccc(-n2c(C)nnc2SCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)-n1c(C)nnc1SCC(=O)N(C1=CCCCC1)[*:1]
Cc1ccc(-n2c(C)nnc2SCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-n1c(C)nnc1SCC(=O)N(C[*:1])C1=CCCCC1
Cc1ccc(-n2c(C)nnc2SCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1 Cc1ccc(cc1)[*:1] Cc1nnc(SCC(=O)N(Cc2ccco2)C2=CCCCC2)n1[*:1]
CC(C)n1cc(NC(=O)Nc2cccc3cnccc23)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)[*:1])Nc1cccc2cnccc12
Cc1cc(C)cc(CS(=O)(=O)C[C@@H](Br)C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(C)cc(c1)CS(=O)(=O)C[C@@H](Br)[*:1]
COc1ccc([C@H](CNC(=O)c2cc(Br)ccc2Cl)[NH+](C)C)cc1 Clc1ccc(Br)cc1[*:1] COc1ccc(cc1)[C@H](CNC(=O)[*:1])[NH+](C)C
COc1ccc([C@H](CNC(=O)c2cc(Br)ccc2Cl)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cc(Br)ccc1Cl)[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)CSc2nncn2C)C1 Cn1cnnc1[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)CS[*:1]
CCCN1CCO[C@H]([C@H]([NH3+])Cc2[nH+]ccn2CC)C1 CCC[*:1] CCn1cc[nH+]c1C[C@@H]([NH3+])[C@@H]1CN(CCO1)[*:1]
CC[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](C)C(=O)Nc1ccc(F)c(c1)[*:1]
CC[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CC[C@H](C)[*:1] O=C(Nc1ccc(F)c(c1)[N+](=O)[O-])[*:1]
CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2 c1cc2OCOc2cc1[*:1] CC[C@@H]1CCCCN1c1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
COc1cccc(/C=N/N=C2\NC(=O)CS2)c1OCc1ccccc1Cl Clc1ccccc1C[*:1] COc1cccc(/C=N/N=C2\NC(=O)CS2)c1O[*:1]
COc1cccc(/C=N/N=C2\NC(=O)CS2)c1OCc1ccccc1Cl Clc1ccccc1[*:1] COc1cccc(/C=N/N=C2\NC(=O)CS2)c1OC[*:1]
COc1ccc(C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C1=C(O)C(=O)N(Cc2ccc(C)cc2)[C@@H]1[*:1]
COc1ccc(C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)C1=C(O)C(=O)N([C@H]1c1ccc(F)cc1)[*:1]
COc1ccc(C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)C(O)=C([C@@H]1c1ccc(F)cc1)[*:1]
COc1ccc(C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C1=C(O)C(=O)N(C[*:1])[C@H]1c1ccc(F)cc1
Cc1cc(C)c(CNC(=O)c2ccoc2C)c(=O)[nH]1 Cc1occc1[*:1] Cc1cc(C)c(CNC(=O)[*:1])c(=O)[nH]1
O=C(NNC(=O)c1cnc(Cc2ccccc2)s1)C(=O)NC1CC1 c1ccc(cc1)C[*:1] O=C(NNC(=O)c1cnc(s1)[*:1])C(=O)NC1CC1
O=C(NNC(=O)c1cnc(Cc2ccccc2)s1)C(=O)NC1CC1 c1ccc(cc1)[*:1] O=C(NNC(=O)c1cnc(C[*:1])s1)C(=O)NC1CC1
O=C(NNC(=O)c1cnc(Cc2ccccc2)s1)C(=O)NC1CC1 C1CC1[*:1] O=C(NNC(=O)c1cnc(Cc2ccccc2)s1)C(=O)N[*:1]
C[C@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)[C@H]1CCOC1 FC(F)(F)CO[*:1] C[C@H](OC(=O)c1ccc(nc1)[*:1])[C@H]1CCOC1
C[C@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)[C@H]1CCOC1 FC(F)(F)C[*:1] C[C@H](OC(=O)c1ccc(nc1)O[*:1])[C@H]1CCOC1
C[C@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@H](OC(=O)c1ccc(nc1)OCC(F)(F)F)[*:1]
C[C@H](OC(=O)c1ccc(OCC(F)(F)F)nc1)[C@H]1CCOC1 FC(F)(F)[*:1] C[C@H](OC(=O)c1ccc(nc1)OC[*:1])[C@H]1CCOC1
COCCn1c(C)cc(/C=C(\C#N)c2nc(C)cs2)c1C COCC[*:1] Cc1csc(n1)/C(C#N)=C/c1cc(C)n(c1C)[*:1]
COCCn1c(C)cc(/C=C(\C#N)c2nc(C)cs2)c1C Cc1csc(n1)[*:1] COCCn1c(C)cc(C=C(C#N)[*:1])c1C
COCCn1c(C)cc(/C=C(\C#N)c2nc(C)cs2)c1C COC[*:1] Cc1csc(n1)/C(C#N)=C/c1cc(C)n(C[*:1])c1C
N#Cc1ccc(N(C(=O)c2cnc(C3CC3)s2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)c1cnc(s1)C1CC1)[*:1]
N#Cc1ccc(N(C(=O)c2cnc(C3CC3)s2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)c1cnc(s1)[*:1])C1CC1
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C2=NC=NC3=NC=N[C@@H]32)CC1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])C1CCN(CC1)C1=NC=NC2=NC=N[C@@H]21
CN1C[C@@H](C(=O)N2CCCC[C@H]2c2nc(C(C)(C)C)cs2)CC1=O CC(C)(C)[*:1] CN1C[C@H](CC1=O)C(=O)N1CCCC[C@H]1c1nc(cs1)[*:1]
CN1C[C@@H](C(=O)N2CCCC[C@H]2c2nc(C(C)(C)C)cs2)CC1=O CN1C[C@@H](CC1=O)[*:1] CC(C)(C)c1csc(n1)[C@@H]1CCCCN1C(=O)[*:1]
O=C([O-])C[C@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)CCO1 O=C([O-])[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N1CCO[C@H](C1)C[*:1]
O=C([O-])C[C@H]1CN(C(=O)C[C@H]2CCS(=O)(=O)C2)CCO1 O=C([O-])C[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N1CCO[C@H](C1)[*:1]
O=C(NCc1ccco1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1
O=C(NCc1ccco1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCc1ccco1)[C@H]1CCCN1C(=O)N[*:1]
O=C(NCc1ccco1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1
CNC(=O)c1ccc(C[NH2+]CCC2CCCCC2)cc1 CNC(=O)[*:1] c1cc(ccc1C[NH2+]CCC1CCCCC1)[*:1]
CNC(=O)c1ccc(C[NH2+]CCC2CCCCC2)cc1 C1CCC(CC1)[*:1] CNC(=O)c1ccc(cc1)C[NH2+]CC[*:1]
Cc1nnc(-c2ccc(C(=O)N(C)C[C@@H](C)c3ccccc3)cc2)o1 C[C@@H](c1ccccc1)[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)N(C)C[*:1]
Cc1nnc(-c2ccc(C(=O)N(C)C[C@@H](C)c3ccccc3)cc2)o1 c1ccc(cc1)[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)N(C)C[C@@H](C)[*:1]
Cc1nnc(-c2ccc(C(=O)N(C)C[C@@H](C)c3ccccc3)cc2)o1 Cc1nnc(o1)[*:1] C[C@H](CN(C)C(=O)c1ccc(cc1)[*:1])c1ccccc1
CC(=O)Nc1cccc(NC(=O)CSc2nnc(C(C)(C)C)o2)c1 CC(C)(C)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nnc(o1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nnc(C(C)(C)C)o2)c1 CC(=O)N[*:1] CC(C)(C)c1nnc(o1)SCC(=O)Nc1cccc(c1)[*:1]
C(=C1CC[NH2+]CC1)c1ccn(C2CCCCC2)n1 C1CCC(CC1)[*:1] C(=C1CC[NH2+]CC1)c1ccn(n1)[*:1]
CC[C@H]1CCCCN1c1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H]1CCCCN1c1ncnc(Nc2ccc3OCCOc3c2)c1[*:1]
CC1(C)C([NH3+])C(C)(C)C1NC(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC1(C)C([NH3+])C(C)(C)C1NC(=O)[*:1]
O=c1ccc([N+](=O)[O-])cn1CCSCc1c(F)cccc1Cl O=[N+]([O-])[*:1] O=c1ccc(cn1CCSCc1c(F)cccc1Cl)[*:1]
CCCN[C@H](c1ccc(C)s1)C(C)(C)[NH+]1CCCC1 Cc1ccc(s1)[*:1] CCCN[C@H](C(C)(C)[NH+]1CCCC1)[*:1]
CCCN[C@H](c1ccc(C)s1)C(C)(C)[NH+]1CCCC1 CCC[*:1] Cc1ccc(s1)[C@@H](N[*:1])C(C)(C)[NH+]1CCCC1
CCCN[C@H](c1ccc(C)s1)C(C)(C)[NH+]1CCCC1 CCCN[*:1] Cc1ccc(s1)[C@H](C(C)(C)[NH+]1CCCC1)[*:1]
CS(=O)(=O)c1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(F)c(F)c3)sc2c1 Fc1ccc(cc1F)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(CCN1CCOCC1)C(=O)[*:1]
CS(=O)(=O)c1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(F)c(F)c3)sc2c1 CS(=O)(=O)[*:1] O=C(c1ccc(F)c(F)c1)N(CCN1CCOCC1)c1nc2ccc(cc2s1)[*:1]
CS(=O)(=O)c1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(F)c(F)c3)sc2c1 C1CN(CCO1)CC[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(C(=O)c1ccc(F)c(F)c1)[*:1]
CS(=O)(=O)c1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(F)c(F)c3)sc2c1 C1CN(CCO1)C[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(C[*:1])C(=O)c1ccc(F)c(F)c1
CS(=O)(=O)c1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(F)c(F)c3)sc2c1 C1CN(CCO1)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(CC[*:1])C(=O)c1ccc(F)c(F)c1
C[C@H]1CCN(C(=O)Cc2ccc(OCC#N)cc2)[C@@H](C)C1 N#CCO[*:1] C[C@H]1CCN(C(=O)Cc2ccc(cc2)[*:1])[C@@H](C)C1
C[C@H]1CCN(C(=O)Cc2ccc(OCC#N)cc2)[C@@H](C)C1 N#CC[*:1] C[C@H]1CCN(C(=O)Cc2ccc(cc2)O[*:1])[C@@H](C)C1
CN(C(=O)c1cc(C(F)(F)F)ccc1N)c1cccnc1 FC(F)(F)[*:1] CN(C(=O)c1cc(ccc1N)[*:1])c1cccnc1
CN(C(=O)c1cc(C(F)(F)F)ccc1N)c1cccnc1 c1cncc(c1)[*:1] CN(C(=O)c1cc(ccc1N)C(F)(F)F)[*:1]
COC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(OC)c(OC)c2)c1 COC(=O)N[*:1] COc1ccc(cc1OC)CN(C)C(=O)Nc1cccc(c1)[*:1]
Cc1nc(SCCCSCC#N)oc1C N#CCS[*:1] Cc1nc(oc1C)SCCC[*:1]
Cc1nc(SCCCSCC#N)oc1C N#CC[*:1] Cc1nc(oc1C)SCCCS[*:1]
Cc1nc(SCCCSCC#N)oc1C N#CCSC[*:1] Cc1nc(oc1C)SCC[*:1]
Cc1c(C#N)c(NC(=O)CSc2nnc(Cc3cccs3)n2C)n(C2CCCCC2)c1C c1csc(c1)C[*:1] Cc1c(C#N)c(NC(=O)CSc2nnc(n2C)[*:1])n(c1C)C1CCCCC1
Cc1c(C#N)c(NC(=O)CSc2nnc(Cc3cccs3)n2C)n(C2CCCCC2)c1C c1csc(c1)[*:1] Cc1c(C#N)c(NC(=O)CSc2nnc(C[*:1])n2C)n(c1C)C1CCCCC1
Cc1c(C#N)c(NC(=O)CSc2nnc(Cc3cccs3)n2C)n(C2CCCCC2)c1C C1CCC(CC1)[*:1] Cc1c(C#N)c(NC(=O)CSc2nnc(Cc3cccs3)n2C)n(c1C)[*:1]
COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(C)n(C2CC2)c1C COC(=O)[*:1] Cc1cc(CN2C[C@@H](O)C[C@H]2[*:1])c(C)n1C1CC1
COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(C)n(C2CC2)c1C C1CC1[*:1] COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(C)n(c1C)[*:1]
COc1cc2c(cc1OC)CN(C(=O)COc1ccccc1[N+](=O)[O-])CC2 O=[N+]([O-])c1ccccc1[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CO[*:1]
COc1cc2c(cc1OC)CN(C(=O)COc1ccccc1[N+](=O)[O-])CC2 O=[N+]([O-])[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)COc1ccccc1[*:1]
COc1ccccc1CN(C)C(=O)COc1ccc(F)cc1C(C)=O CC(=O)[*:1] COc1ccccc1CN(C)C(=O)COc1ccc(F)cc1[*:1]
COc1ccccc1CN(C)C(=O)COc1ccc(F)cc1C(C)=O COc1ccccc1[*:1] CC(=O)c1cc(F)ccc1OCC(=O)N(C)C[*:1]
CCc1ccc2nc(NC(=O)/C=C/C(=O)[O-])sc2c1 O=C([O-])C=C[*:1] CCc1ccc2nc(NC(=O)[*:1])sc2c1
CCc1ccc2nc(NC(=O)/C=C/C(=O)[O-])sc2c1 O=C([O-])[*:1] CCc1ccc2nc(NC(=O)C=C[*:1])sc2c1
CCn1nnnc1COc1cccc(C(=O)Nc2cccc(C(=O)NC)c2)c1 CNC(=O)[*:1] CCn1nnnc1COc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
CCn1nnnc1COc1cccc(C(=O)Nc2cccc(C(=O)NC)c2)c1 CCn1nnnc1C[*:1] CNC(=O)c1cccc(c1)NC(=O)c1cccc(c1)O[*:1]
CCn1nnnc1COc1cccc(C(=O)Nc2cccc(C(=O)NC)c2)c1 CCn1nnnc1CO[*:1] CNC(=O)c1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CCn1nnnc1COc1cccc(C(=O)Nc2cccc(C(=O)NC)c2)c1 CCn1nnnc1[*:1] CNC(=O)c1cccc(c1)NC(=O)c1cccc(c1)OC[*:1]
O=C1Nc2ccccc2[C@](O)(C(=O)NCCN2CCOCC2)N1c1ccc(Cl)c(Cl)c1 C1CN(CCO1)C[*:1] O=C1Nc2ccccc2[C@](O)(C(=O)NC[*:1])N1c1ccc(Cl)c(Cl)c1
O=C1Nc2ccccc2[C@](O)(C(=O)NCCN2CCOCC2)N1c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C1Nc2ccccc2[C@](O)(C(=O)NCCN2CCOCC2)N1[*:1]
O=C1Nc2ccccc2[C@](O)(C(=O)NCCN2CCOCC2)N1c1ccc(Cl)c(Cl)c1 C1CN(CCO1)CC[*:1] O=C1Nc2ccccc2[C@](O)(C(=O)N[*:1])N1c1ccc(Cl)c(Cl)c1
O=C1Nc2ccccc2[C@](O)(C(=O)NCCN2CCOCC2)N1c1ccc(Cl)c(Cl)c1 C1CN(CCO1)[*:1] O=C1Nc2ccccc2[C@](O)(C(=O)NCC[*:1])N1c1ccc(Cl)c(Cl)c1
CN1N=C(C(=O)N2CCCN(c3cccnn3)CC2)CCC1=O c1cnnc(c1)[*:1] CN1N=C(CCC1=O)C(=O)N1CCCN(CC1)[*:1]
CN1CCO[C@@H](C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)C1 Fc1cccc(Cl)c1[*:1] CN1CCO[C@H](C1)C(=O)N1CCN(CC1)C(=O)[*:1]
O=C(NCC#CCOc1ccccc1F)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCC#CCOc1ccccc1F)c1ccccc1[*:1]
O=C(NCC#CCOc1ccccc1F)c1ccccc1[N+](=O)[O-] Fc1ccccc1O[*:1] O=C(NCC#CC[*:1])c1ccccc1[N+](=O)[O-]
O=C(NCC#CCOc1ccccc1F)c1ccccc1[N+](=O)[O-] Fc1ccccc1[*:1] O=C(NCC#CCO[*:1])c1ccccc1[N+](=O)[O-]
COc1ccc(CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)c1ccc(cc1)N1CCCCC1=O)[*:1]
COc1ccc(CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C1CCCCN1c1ccc(cc1)C(=O)N(C[*:1])C1CC1
COc1ccc(CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C2CC2)cc1 COc1ccc(cc1)C[*:1] O=C1CCCCN1c1ccc(cc1)C(=O)N(C1CC1)[*:1]
COc1ccc(CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C2CC2)cc1 O=C1CCCCN1[*:1] COc1ccc(cc1)CN(C(=O)c1ccc(cc1)[*:1])C1CC1
CC[C@@H](C)NC(=O)[C@@H](Sc1nc2ncccn2n1)C(C)C CC[C@@H](C)NC(=O)[*:1] CC(C)[C@H](Sc1nc2ncccn2n1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](Sc1nc2ncccn2n1)C(C)C CC(C)[*:1] CC[C@@H](C)NC(=O)[C@@H](Sc1nc2ncccn2n1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](Sc1nc2ncccn2n1)C(C)C CC[C@@H](C)[*:1] CC(C)[C@H](Sc1nc2ncccn2n1)C(=O)N[*:1]
Cc1cccc(-n2nnnc2SCc2c(C)nn(C)c2Cl)c1 Cc1cccc(c1)[*:1] Cc1nn(C)c(Cl)c1CSc1nnnn1[*:1]
Cc1cccc(NC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)n1 Cc1cccc(n1)[*:1] O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)N[*:1]
O=C(CCn1cccc1)Nc1cccc(Cl)c1 c1ccn(c1)[*:1] O=C(CC[*:1])Nc1cccc(Cl)c1
CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)c2ccc(Br)cc2)c1 CNS(=O)(=O)[*:1] C[C@@H](OC(=O)c1cccc(c1)[*:1])C(=O)c1ccc(Br)cc1
CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] CNS(=O)(=O)c1cccc(c1)C(=O)O[C@H](C)C(=O)[*:1]
O=CN[C@@H](Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] O=C([O-])[*:1] O=CN[C@@H](Cc1cc(Cl)ccc1[N+](=O)[O-])[*:1]
O=CN[C@@H](Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] O=[N+]([O-])[*:1] O=CN[C@@H](Cc1cc(Cl)ccc1[*:1])C(=O)[O-]
O=CN[C@@H](Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] O=CN[*:1] O=C([O-])[C@H](Cc1cc(Cl)ccc1[N+](=O)[O-])[*:1]
Cc1ccc([C@@H](O)[C@@H]2C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H](O)[C@@H]1C(=O)N(N=C1[*:1])c1ccccc1
Cc1ccc([C@@H](O)[C@@H]2C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] O=C1[C@H](C(=NN1c1ccccc1)C(F)(F)F)[C@H](O)[*:1]
Cc1ccc([C@@H](O)[C@@H]2C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](O)[C@@H]1C(=O)N(N=C1C(F)(F)F)[*:1]
CCN(C(=O)CSc1nnc(C)c([O-])n1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CSc1nnc(C)c([O-])n1)[*:1]
C[C@@H](C[NH2+]CC1CCCCC1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](C[NH2+]CC1CCCCC1)c1nc(no1)[*:1]
C[C@@H](C[NH2+]CC1CCCCC1)c1nc(-c2ccccc2)no1 C1CCC(CC1)[*:1] C[C@@H](C[NH2+]C[*:1])c1nc(no1)-c1ccccc1
C[C@@H](C[NH2+]CC1CCCCC1)c1nc(-c2ccccc2)no1 C1CCC(CC1)C[*:1] C[C@@H](C[NH2+][*:1])c1nc(no1)-c1ccccc1
O=C(C=C(C1CC1)C1CC1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] O=C(C=C(C1CC1)C1CC1)Nc1ccc(cc1)S(=O)(=O)[*:1]
O=C(C=C(C1CC1)C1CC1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 C(=C(C1CC1)C1CC1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)C1CCCC1)[*:1]
O=C(C=C(C1CC1)C1CC1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 O=S(=O)(C1CCCC1)[*:1] O=C(C=C(C1CC1)C1CC1)Nc1ccc(cc1)[*:1]
O=C(C=C(C1CC1)C1CC1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 C1CC1[*:1] O=C(C=C(C1CC1)[*:1])Nc1ccc(cc1)S(=O)(=O)C1CCCC1
C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1[O-] O=[N+]([O-])[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1cc(ccc1[O-])[*:1]
COc1cccc(/C=N/NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 ClC(Cl)=C[*:1] COc1cccc(/C=N/NC(=O)[C@H]2[C@@H](C2(C)C)[*:1])c1
NS(=O)(=O)c1ccc2c(c1)/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)N2 c1ccc(cc1)CO[*:1] NS(=O)(=O)c1ccc2NC(=O)/C(=C\c3cc(Br)ccc3[*:1])c2c1
NS(=O)(=O)c1ccc2c(c1)/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)N2 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc2NC(=O)/C(=C\c3cc(Br)ccc3OC[*:1])c2c1
NS(=O)(=O)c1ccc2c(c1)/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)N2 c1ccc(cc1)C[*:1] NS(=O)(=O)c1ccc2NC(=O)/C(=C\c3cc(Br)ccc3O[*:1])c2c1
NS(=O)(=O)c1ccc2c(c1)/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)N2 NS(=O)(=O)[*:1] O=C1Nc2ccc(cc2/C1=C/c1cc(Br)ccc1OCc1ccccc1)[*:1]
NC(=O)c1ccc(C[S@@](=O)Cc2cccc3ccccc23)cc1 NC(=O)[*:1] O=[S@](Cc1ccc(cc1)[*:1])Cc1cccc2ccccc12
C1CC[NH+](CCSc2nnnn2C2CCCC2)CC1 C1CCC(C1)[*:1] C1CC[NH+](CC1)CCSc1nnnn1[*:1]
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncoc2C)CN1Cc1cccnc1N CCNC(=O)[*:1] Cc1ocnc1C(=O)N[C@H]1C[C@H](N(Cc2cccnc2N)C1)[*:1]
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncoc2C)CN1Cc1cccnc1N Nc1ncccc1[*:1] CCNC(=O)[C@@H]1C[C@@H](CN1C[*:1])NC(=O)c1ncoc1C
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncoc2C)CN1Cc1cccnc1N Cc1ocnc1C(=O)N[*:1] CCNC(=O)[C@@H]1C[C@H](CN1Cc1cccnc1N)[*:1]
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncoc2C)CN1Cc1cccnc1N Cc1ocnc1[*:1] CCNC(=O)[C@@H]1C[C@@H](CN1Cc1cccnc1N)NC(=O)[*:1]
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncoc2C)CN1Cc1cccnc1N Nc1ncccc1C[*:1] CCNC(=O)[C@@H]1C[C@@H](CN1[*:1])NC(=O)c1ncoc1C
O=C(NCCC1=CCCCC1)c1ccc(N2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] O=C(NCCC1=CCCCC1)c1ccc(cc1)[*:1]
COc1ccc(CNC(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)cn1 COc1ccc(cn1)[*:1] O=C(NC[*:1])N[C@@H](CO)c1ccc(Cl)c(F)c1
COc1ccc(CNC(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)cn1 Fc1cc(ccc1Cl)[*:1] COc1ccc(cn1)CNC(=O)N[C@@H](CO)[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CCNS(=O)(=O)[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)NCCC(=O)N1CCN(CC1)C[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 Clc1ccc(cc1)C[*:1] Cc1ccc(c(C)c1)S(=O)(=O)NCCC(=O)N1CCN(CC1)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)NCCCCn2cnnc2)CC1 c1ccc(cc1)[*:1] O=C(NCCCCn1cnnc1)N1CCC(CC1)C(=O)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)NCCCCn2cnnc2)CC1 c1nncn1CC[*:1] O=C(c1ccccc1)C1CCN(CC1)C(=O)NCC[*:1]
O=C(c1ccccc1)C1CCN(C(=O)NCCCCn2cnnc2)CC1 O=C(c1ccccc1)[*:1] O=C(NCCCCn1cnnc1)N1CCC(CC1)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)NCCCCn2cnnc2)CC1 c1nncn1C[*:1] O=C(c1ccccc1)C1CCN(CC1)C(=O)NCCC[*:1]
O=C(c1ccccc1)C1CCN(C(=O)NCCCCn2cnnc2)CC1 c1nncn1[*:1] O=C(c1ccccc1)C1CCN(CC1)C(=O)NCCCC[*:1]
O=C(c1ccccc1)C1CCN(C(=O)NCCCCn2cnnc2)CC1 c1nncn1CCC[*:1] O=C(c1ccccc1)C1CCN(CC1)C(=O)NC[*:1]
O=C(Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)[C@@H]1COc2ccccc2O1 c1ccc2O[C@@H](COc2c1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)/N=C1\CCCCCN1)[*:1]
CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(F)cc1)N(c1ccc(C)cc1C)C2=O Fc1ccc(cc1)C[*:1] CCOC(=O)c1cc2C(=O)N(c3ccc(C)cc3C)[C@](C)(Cn2n1)C(=O)N[*:1]
CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(F)cc1)N(c1ccc(C)cc1C)C2=O Fc1ccc(cc1)[*:1] CCOC(=O)c1cc2C(=O)N(c3ccc(C)cc3C)[C@](C)(Cn2n1)C(=O)NC[*:1]
CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(F)cc1)N(c1ccc(C)cc1C)C2=O O=C(NCc1ccc(F)cc1)[*:1] CCOC(=O)c1cc2C(=O)N(c3ccc(C)cc3C)[C@@](C)(Cn2n1)[*:1]
CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(F)cc1)N(c1ccc(C)cc1C)C2=O Cc1ccc(c(C)c1)[*:1] CCOC(=O)c1cc2C(=O)N([C@](C)(Cn2n1)C(=O)NCc1ccc(F)cc1)[*:1]
CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(F)cc1)N(c1ccc(C)cc1C)C2=O CCOC(=O)[*:1] Cc1ccc(c(C)c1)N1C(=O)c2cc(nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1)[*:1]
Cc1cncc(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 Fc1ccccc1[*:1] Cc1cncc(c1)C(=O)N(C)[C@@H]1CCN(C1=O)[*:1]
Cc1cncc(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 Cc1cncc(c1)[*:1] CN(C(=O)[*:1])[C@@H]1CCN(C1=O)c1ccccc1F
C[NH+](C)C[C@@H]1CCCC[C@@H]1NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[NH+](C)C[C@@H]1CCCC[C@@H]1NC(=O)[*:1]
CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(Br)cc1 CC(C)[*:1] CCN(CC(=O)N[*:1])S(=O)(=O)c1ccc(Br)cc1
CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(Br)cc1 CC(C)NC(=O)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(Br)cc1
Cc1cnc(C(C)(C)NC(=O)N[C@@H](Cn2cncn2)c2ccccc2)s1 c1ncn(C[*:1])n1 Cc1cnc(s1)C(C)(C)NC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1cnc(C(C)(C)NC(=O)N[C@@H](Cn2cncn2)c2ccccc2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)N[C@@H](Cn1cncn1)c1ccccc1)[*:1]
Cc1cnc(C(C)(C)NC(=O)N[C@@H](Cn2cncn2)c2ccccc2)s1 c1ncn(n1)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)N[C@@H](C[*:1])c1ccccc1
Cc1cnc(C(C)(C)NC(=O)N[C@@H](Cn2cncn2)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)N[C@@H](Cn1cncn1)[*:1]
O=C(NCc1cccnc1)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1 c1cncc(c1)C[*:1] O=C(N[*:1])C1(CC1)c1cc(on1)-c1ccc2OCOc2c1
O=C(NCc1cccnc1)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1 c1cc2OCOc2cc1[*:1] O=C(NCc1cccnc1)C1(CC1)c1cc(on1)[*:1]
O=C(NCc1cccnc1)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1 c1cncc(c1)[*:1] O=C(NC[*:1])C1(CC1)c1cc(on1)-c1ccc2OCOc2c1
CCCCNC(=O)c1ccccc1NC(=O)Cc1c(F)cccc1Cl CCC[*:1] O=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)NC[*:1]
CCCCNC(=O)c1ccccc1NC(=O)Cc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] CCCCNC(=O)c1ccccc1NC(=O)C[*:1]
CCCCNC(=O)c1ccccc1NC(=O)Cc1c(F)cccc1Cl CCCC[*:1] O=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)N[*:1]
CCCCNC(=O)c1ccccc1NC(=O)Cc1c(F)cccc1Cl CCCCNC(=O)[*:1] O=C(Cc1c(F)cccc1Cl)Nc1ccccc1[*:1]
Cc1nc(C)c(CC(=O)NNc2cccc(Cl)c2)c(=O)[nH]1 Clc1cccc(c1)[*:1] Cc1nc(C)c(CC(=O)NN[*:1])c(=O)[nH]1
Cc1ccc(CN(C(=O)c2oc3ccccc3c2C)[C@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)C[*:1] Cc1c(oc2ccccc12)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(CN(C(=O)c2oc3ccccc3c2C)[C@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] Cc1c(oc2ccccc12)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1c(/C=C(\C#N)c2ccc(Cl)cc2)c2ccccc2n1C Clc1ccc(cc1)[*:1] Cc1c(/C=C(\C#N)[*:1])c2ccccc2n1C
CSc1ccc([C@H]2[C@@H](C(N)=O)C(=O)N[C@](O)(c3ccccc3)[C@@H]2C#N)cc1 NC(=O)[*:1] CSc1ccc(cc1)[C@@H]1[C@@H](C#N)[C@](O)(NC(=O)[C@H]1[*:1])c1ccccc1
CSc1ccc([C@H]2[C@@H](C(N)=O)C(=O)N[C@](O)(c3ccccc3)[C@@H]2C#N)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)[C@H]1[C@@H](C(N)=O)C(=O)N[C@](O)([C@@H]1C#N)[*:1]
CSc1ccc([C@H]2[C@@H](C(N)=O)C(=O)N[C@](O)(c3ccccc3)[C@@H]2C#N)cc1 CSc1ccc(cc1)[*:1] N#C[C@@H]1[C@H]([C@@H](C(N)=O)C(=O)N[C@]1(O)c1ccccc1)[*:1]
Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)n1 Cc1cc(=O)[nH]c(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2ccccc2oc1=O
COc1ccc(F)cc1NC(=O)NC(C)(C)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] COc1ccc(F)cc1NC(=O)NC(C)(C)[*:1]
COc1ccc(F)cc1NC(=O)NC(C)(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] COc1ccc(F)cc1NC(=O)NC(C)(C)CC[*:1]
COc1ccc(F)cc1NC(=O)NC(C)(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] COc1ccc(F)cc1NC(=O)NC(C)(C)C[*:1]
O=C([O-])C1C2=CC=CC=C1CCCC2 O=C([O-])[*:1] C1=CC=C2CCCCC(=C1)C2[*:1]
CCCCc1nnc(NC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)s1 CCCC[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)s1 CCC[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Nc1nnc(C[*:1])s1
O=C(NCCc1cccc2ccccc12)c1ccnc(-n2ccnc2)c1 c1cn(cn1)[*:1] O=C(NCCc1cccc2ccccc12)c1ccnc(c1)[*:1]
C#CCN1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 C#CC[*:1] O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C#CCN1CCN(CC1)C(=O)c1ccc(Br)cc1[*:1]
COc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2N1C(C)=O COc1ccccc1[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[*:1]
NC(=O)N[C@H](CC(=O)N[C@H]1CCSc2ccccc21)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] NC(=O)N[C@H](CC(=O)N[C@H]1CCSc2ccccc21)[*:1]
NC(=O)N[C@H](CC(=O)N[C@H]1CCSc2ccccc21)c1ccc(Cl)cc1 NC(=O)N[*:1] O=C(C[C@H](c1ccc(Cl)cc1)[*:1])N[C@H]1CCSc2ccccc21
CN(Cc1cnn(C)c1)C(=O)CN[C@@H](C1CCCC1)C(F)(F)F Cn1cc(cn1)C[*:1] CN(C(=O)CN[C@@H](C1CCCC1)C(F)(F)F)[*:1]
CN(Cc1cnn(C)c1)C(=O)CN[C@@H](C1CCCC1)C(F)(F)F Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)CN[C@@H](C1CCCC1)C(F)(F)F
CN(Cc1cnn(C)c1)C(=O)CN[C@@H](C1CCCC1)C(F)(F)F FC(F)(F)[*:1] CN(Cc1cnn(C)c1)C(=O)CN[C@@H](C1CCCC1)[*:1]
CN(Cc1cnn(C)c1)C(=O)CN[C@@H](C1CCCC1)C(F)(F)F C1CCC(C1)[*:1] CN(Cc1cnn(C)c1)C(=O)CN[C@@H](C(F)(F)F)[*:1]
COc1cccc(CN(C)C(=O)NCCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CN(C)C(=O)NCC[*:1]
Cc1nnc(-c2ccccc2-c2cc(NCC(=O)[O-])nc3[nH]ccc23)o1 O=C([O-])[*:1] Cc1nnc(o1)-c1ccccc1-c1cc(nc2[nH]ccc12)NC[*:1]
Cc1nnc(-c2ccccc2-c2cc(NCC(=O)[O-])nc3[nH]ccc23)o1 O=C([O-])CN[*:1] Cc1nnc(o1)-c1ccccc1-c1cc(nc2[nH]ccc12)[*:1]
Cc1nnc(-c2ccccc2-c2cc(NCC(=O)[O-])nc3[nH]ccc23)o1 Cc1nnc(o1)[*:1] O=C([O-])CNc1cc(-c2ccccc2[*:1])c2cc[nH]c2n1
Cc1nnc(-c2ccccc2-c2cc(NCC(=O)[O-])nc3[nH]ccc23)o1 O=C([O-])C[*:1] Cc1nnc(o1)-c1ccccc1-c1cc(nc2[nH]ccc12)N[*:1]
O=C(c1ccc2c(c1)COCO2)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)C[*:1] O=C(c1ccc2OCOCc2c1)N(C[*:1])C1CCCC1
O=C(c1ccc2c(c1)COCO2)N(CCC(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] O=C(c1ccc2OCOCc2c1)N(CCC(F)(F)F)[*:1]
O=C(c1ccc2c(c1)COCO2)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)[*:1] O=C(c1ccc2OCOCc2c1)N(CC[*:1])C1CCCC1
O=C(c1ccc2c(c1)COCO2)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)CC[*:1] O=C(c1ccc2OCOCc2c1)N(C1CCCC1)[*:1]
C[C@H](NC(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)Nc1ccccc1S(C)(=O)=O)[*:1]
C[C@H](NC(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)s1 CS(=O)(=O)[*:1] C[C@H](NC(=O)Nc1ccccc1[*:1])c1ccc(Cl)s1
Cc1c(Cl)cccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 Cc1c(Cl)cccc1[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc(F)cc1
Cc1c(Cl)cccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)CN(C)S(=O)(=O)[*:1]
Cc1ccc(-n2c(C[C@H]3C(=O)Nc4ccccc43)nc3ccccc3c2=O)cc1 Cc1ccc(cc1)[*:1] O=C1Nc2ccccc2[C@H]1Cc1nc2ccccc2c(=O)n1[*:1]
COc1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)c(c1)[*:1]
CCc1c(C(=O)OCc2ccccn2)cnn1-c1ccc(F)cc1 c1ccc(C[*:1])nc1 CCc1c(cnn1-c1ccc(F)cc1)C(=O)O[*:1]
CCc1c(C(=O)OCc2ccccn2)cnn1-c1ccc(F)cc1 c1ccc(nc1)[*:1] CCc1c(cnn1-c1ccc(F)cc1)C(=O)OC[*:1]
CCc1c(C(=O)OCc2ccccn2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)OCc1ccccn1
Cc1cc(CNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)no1 Cc1cc(no1)[*:1] C[C@@H](C(=O)NC[*:1])c1ccc(Cl)c(Cl)c1
C[NH+](C)[C@H]1CC[C@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Cc1cccc(c1)[*:1]
Cc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(COC(=O)Cn1cnc2ccccc2c1=O)N[*:1]
CC(=O)Nc1cc(NCc2cccc3c2OC(C)(C)C3)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NCc1cccc2CC(C)(C)Oc12
CCc1nc2n(n1)CCC[C@H]2NC(=O)/C=C(/C)CCc1ccccc1 c1ccc(cc1)C[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)/C=C(/C)C[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)/C=C(/C)CCc1ccccc1 c1ccc(cc1)CC[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)C=C(C)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)/C=C(/C)CCc1ccccc1 c1ccc(cc1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)/C=C(/C)CC[*:1]
OC[C@@H](O)CSCc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] OC[C@@H](O)CSCc1nnc(o1)[*:1]
OC[C@@H](O)CSCc1nnc(-c2ccccc2)o1 OC[C@@H](O)[*:1] c1ccc(cc1)-c1nnc(CSC[*:1])o1
C[C@H](Oc1ccc2ccc(=O)oc2c1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc2ccc(=O)oc2c1)c1nc(no1)[*:1]
C=CCN1C(=O)[C@@]2(NCCC3=c4cc(OC)ccc4=[NH+][C@H]32)c2cc(Br)ccc21 C=CC[*:1] COc1ccc2=[NH+][C@@H]3C(CCN[C@@]34C(=O)N(c3ccc(Br)cc34)[*:1])=c2c1
COCCN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 COCC[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
COCCN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 COC[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N(C)C[*:1]
COCCN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 COCCN(C)C(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)[*:1]
CC(C)Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)c(C(=O)[O-])c2)cc1 C1CCN(C1)[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)Nc1cnc(c(c1)C(=O)[O-])[*:1]
CC(C)Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)c(C(=O)[O-])c2)cc1 CC(C)[*:1] O=C([O-])c1cc(cnc1N1CCCC1)NS(=O)(=O)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)c(C(=O)[O-])c2)cc1 O=C([O-])[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)Nc1cnc(c(c1)[*:1])N1CCCC1
CC(C)Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)c(C(=O)[O-])c2)cc1 CC(C)C[*:1] O=C([O-])c1cc(cnc1N1CCCC1)NS(=O)(=O)c1ccc(cc1)[*:1]
C/C=C/C=C/C(=O)Nc1cc(C(=O)OC)ccc1F C/C=C/C=C[*:1] COC(=O)c1ccc(F)c(c1)NC(=O)[*:1]
C/C=C/C=C/C(=O)Nc1cc(C(=O)OC)ccc1F COC(=O)[*:1] C/C=C/C=C/C(=O)Nc1cc(ccc1F)[*:1]
C/C=C/C=C/C(=O)Nc1cc(C(=O)OC)ccc1F CC=C[*:1] COC(=O)c1ccc(F)c(c1)NC(=O)C=C[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)c(C)c1 c1coc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=S(=O)(N1CCN(CC1)c1ccc(nn1)-c1ccco1)[*:1]
N#Cc1ccc(COC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)cc1 N#Cc1ccc(cc1)[*:1] O=C(OC[*:1])c1ccc2c(c1)NC(=O)[C@@H]1CCCN21
O=C1C[C@@H](c2ccccc2Cl)Cc2nc(NCCc3ccccc3)ncc21 c1ccc(cc1)C[*:1] O=C1C[C@H](Cc2nc(ncc21)NC[*:1])c1ccccc1Cl
O=C1C[C@@H](c2ccccc2Cl)Cc2nc(NCCc3ccccc3)ncc21 c1ccc(cc1)[*:1] O=C1C[C@H](Cc2nc(ncc21)NCC[*:1])c1ccccc1Cl
O=C1C[C@@H](c2ccccc2Cl)Cc2nc(NCCc3ccccc3)ncc21 c1ccc(cc1)CCN[*:1] O=C1C[C@H](Cc2nc(ncc21)[*:1])c1ccccc1Cl
O=C1C[C@@H](c2ccccc2Cl)Cc2nc(NCCc3ccccc3)ncc21 c1ccc(cc1)CC[*:1] O=C1C[C@H](Cc2nc(ncc21)N[*:1])c1ccccc1Cl
O=C1C[C@@H](c2ccccc2Cl)Cc2nc(NCCc3ccccc3)ncc21 Clc1ccccc1[*:1] O=C1C[C@@H](Cc2nc(ncc21)NCCc1ccccc1)[*:1]
CC(C)CSCc1nc(-c2cccc(Br)c2)cs1 CC(C)C[*:1] Brc1cccc(c1)-c1csc(CS[*:1])n1
CC(C)CSCc1nc(-c2cccc(Br)c2)cs1 CC(C)[*:1] Brc1cccc(c1)-c1csc(CSC[*:1])n1
CC(C)CSCc1nc(-c2cccc(Br)c2)cs1 CC(C)CS[*:1] Brc1cccc(c1)-c1csc(C[*:1])n1
CC(C)CSCc1nc(-c2cccc(Br)c2)cs1 CC(C)CSC[*:1] Brc1cccc(c1)-c1csc(n1)[*:1]
Cc1nnc2ccc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4F)cc3)nn12 Fc1ccc(c(F)c1)[*:1] Cc1nnc2ccc(nn12)-c1ccc(cc1)NS(=O)(=O)[*:1]
CCCN(CC)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 CCC[*:1] CCN(c1ccc(c(c1)C(=O)[O-])[N+](=O)[O-])[*:1]
CCCN(CC)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 O=[N+]([O-])[*:1] CCCN(CC)c1ccc(c(c1)C(=O)[O-])[*:1]
CCCN(CC)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 CCCN(CC)[*:1] O=C([O-])c1cc(ccc1[N+](=O)[O-])[*:1]
CCCN(CC)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 O=C([O-])[*:1] CCCN(CC)c1ccc(c(c1)[*:1])[N+](=O)[O-]
COc1cccc(C(=O)Nc2cccc3ccc(C)nc23)c1OC(F)F FC(F)O[*:1] COc1cccc(C(=O)Nc2cccc3ccc(C)nc23)c1[*:1]
COc1cccc(C(=O)Nc2cccc3ccc(C)nc23)c1OC(F)F FC(F)[*:1] COc1cccc(C(=O)Nc2cccc3ccc(C)nc23)c1O[*:1]
Cn1cccc1[C@H](CNC(=O)Nc1ccccc1F)[NH+]1CCCCCC1 Cn1cccc1[*:1] O=C(NC[C@H]([NH+]1CCCCCC1)[*:1])Nc1ccccc1F
Cn1cccc1[C@H](CNC(=O)Nc1ccccc1F)[NH+]1CCCCCC1 Fc1ccccc1[*:1] Cn1cccc1[C@H](CNC(=O)N[*:1])[NH+]1CCCCCC1
O=C1C[C@H](/C([O-])=N/c2ncn[nH]2)CN1Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1C[C@@H](CN1Cc1cccc(c1)[*:1])/C([O-])=N/c1ncn[nH]1
O=C1C[C@H](/C([O-])=N/c2ncn[nH]2)CN1Cc1cccc(C(F)(F)F)c1 c1n[nH]c(n1)[*:1] O=C1C[C@@H](CN1Cc1cccc(c1)C(F)(F)F)C([O-])=N[*:1]
CN(c1ccccn1)S(=O)(=O)c1ccc(F)cc1F c1ccc(nc1)[*:1] CN(S(=O)(=O)c1ccc(F)cc1F)[*:1]
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 Clc1ccccc1[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)S(=O)(=O)[N-][*:1]
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1ccccc1Cl)c1cc(ccc1Cl)[*:1]
O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 c1cc(cs1)[*:1] O=C(NC[C@@H](O)[*:1])C(=O)Nc1ccc2CCCC(=O)c2c1
C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 O=[N+]([O-])[*:1] C[C@@H](C[NH2+]Cc1cccc(c1)[*:1])C[NH+]1CCCC1
Cc1ccccc1[C@@H](NC(=O)[C@@H]1CSC(=O)N1)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@@H](NC(=O)[C@@H]1CSC(=O)N1)[*:1]
Cc1ccccc1[C@@H](NC(=O)[C@@H]1CSC(=O)N1)C(C)(C)C Cc1ccccc1[*:1] CC(C)(C)[C@H](NC(=O)[C@@H]1CSC(=O)N1)[*:1]
CC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(C)c(F)c1 O=S1(=O)CC[C@H](C1)[*:1] CC[C@@H](NC(=O)C[*:1])c1ccc(C)c(F)c1
Cc1cccc(OCC[n+]2c(N)n(Cc3ccccc3F)c3ccccc32)c1 Cc1cccc(c1)OC[*:1] Nc1n(Cc2ccccc2F)c2ccccc2[n+]1C[*:1]
Cc1cccc(OCC[n+]2c(N)n(Cc3ccccc3F)c3ccccc32)c1 Fc1ccccc1[*:1] Cc1cccc(c1)OCC[n+]1c(N)n(C[*:1])c2ccccc21
Cc1cccc(OCC[n+]2c(N)n(Cc3ccccc3F)c3ccccc32)c1 Cc1cccc(c1)[*:1] Nc1n(Cc2ccccc2F)c2ccccc2[n+]1CCO[*:1]
Cc1cccc(OCC[n+]2c(N)n(Cc3ccccc3F)c3ccccc32)c1 Fc1ccccc1C[*:1] Cc1cccc(c1)OCC[n+]1c(N)n(c2ccccc21)[*:1]
Cc1cccc(OCC[n+]2c(N)n(Cc3ccccc3F)c3ccccc32)c1 Cc1cccc(c1)O[*:1] Nc1n(Cc2ccccc2F)c2ccccc2[n+]1CC[*:1]
CN(CCCC(=O)Nc1cccc(Cl)c1)C(=O)OC(C)(C)C Clc1cccc(c1)[*:1] CN(CCCC(=O)N[*:1])C(=O)OC(C)(C)C
CN(CCCC(=O)Nc1cccc(Cl)c1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(CCCC(=O)Nc1cccc(Cl)c1)C(=O)O[*:1]
CCCCN(C(=O)[C@H]1CC[C@H](C[NH3+])O1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCN(C(=O)[C@H]1CC[C@H](C[NH3+])O1)[*:1]
CCCCN(C(=O)[C@H]1CC[C@H](C[NH3+])O1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)[C@H]1CC[C@H](C[NH3+])O1)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3OC)S/C2=N\c2ccc(F)cc2)cc1 COc1ccccc1NC(=O)[*:1] COc1ccc(cc1)CN1C(=O)C[C@@H](S/C1=N\c1ccc(F)cc1)[*:1]
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3OC)S/C2=N\c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1ccccc1OC
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3OC)S/C2=N\c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C[*:1])/C(=N/c2ccc(F)cc2)S1
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3OC)S/C2=N\c2ccc(F)cc2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)CN1C(=O)C[C@H](S/C1=N\c1ccc(F)cc1)C(=O)N[*:1]
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3OC)S/C2=N\c2ccc(F)cc2)cc1 COc1ccc(cc1)C[*:1] COc1ccccc1NC(=O)[C@@H]1CC(=O)N(/C(=N/c2ccc(F)cc2)S1)[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Nc1ccc(C)cc1F COC(=O)[*:1] Cc1ccc(NC(=O)N[C@H]2CCCCC[C@@H]2[*:1])c(F)c1
CN(CCOc1c(N)cccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CN(CCOc1c(N)cccc1Cl)[*:1]
C[C@H]1CCC[C@@H](C(=O)O[C@@H]2CC[C@H](S(C)(=O)=O)C2)C1 CS(=O)(=O)[*:1] C[C@H]1CCC[C@H](C1)C(=O)O[C@@H]1CC[C@H](C1)[*:1]
C/C(C(=O)[O-])=C(\C)C(=O)N[C@H]1CCCC1(C)C O=C([O-])[*:1] CC(C(=O)N[C@H]1CCCC1(C)C)=C(C)[*:1]
CC1=C(CCC[NH2+][C@@H](C)C(=O)Nc2nccs2)[C@@H](C)N=N1 c1csc(n1)[*:1] CC1N=N[C@H](C)C=1CCC[NH2+][C@@H](C)C(=O)N[*:1]
CC[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)[*:1]
CC[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(C)cc1 Brc1ccc(cc1)[*:1] CC[C@H](NC(=O)CCNC(=O)[*:1])c1ccc(C)cc1
Cc1ccc(S(=O)(=O)c2c(Nc3ccccc3)n[nH]c2N)cc1 Cc1ccc(cc1)[*:1] Nc1[nH]nc(Nc2ccccc2)c1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)c2c(Nc3ccccc3)n[nH]c2N)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1c(n[nH]c1N)N[*:1]
Cc1ccc(S(=O)(=O)c2c(Nc3ccccc3)n[nH]c2N)cc1 c1ccc(cc1)N[*:1] Cc1ccc(cc1)S(=O)(=O)c1c(n[nH]c1N)[*:1]
CN(CC(F)(F)F)C(=O)CNc1ccc2cc([N+](=O)[O-])ccc2n1 FC(F)(F)C[*:1] CN(C(=O)CNc1ccc2cc(ccc2n1)[N+](=O)[O-])[*:1]
CN(CC(F)(F)F)C(=O)CNc1ccc2cc([N+](=O)[O-])ccc2n1 FC(F)(F)[*:1] CN(C[*:1])C(=O)CNc1ccc2cc(ccc2n1)[N+](=O)[O-]
CN(CC(F)(F)F)C(=O)CNc1ccc2cc([N+](=O)[O-])ccc2n1 O=[N+]([O-])[*:1] CN(CC(F)(F)F)C(=O)CNc1ccc2cc(ccc2n1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)Nc3cnn(Cc4ccccc4)c3)cc2C[C@H]1C c1ccc(cc1)C[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)Nc1cnn(c1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)Nc3cnn(Cc4ccccc4)c3)cc2C[C@H]1C c1ccc(cc1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)Nc1cnn(c1)C[*:1]
Cc1cc(N2CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCN(CC1)C(=O)NCC[NH+](C(C)C)C(C)C
Cc1cc(N2CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)C(=O)NCC[NH+](C(C)C)[*:1]
O=C([O-])[C@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 O=C([O-])[*:1] O=C1CC[C@]2(SC[C@@H](N12)[*:1])c1ccccc1
O=C([O-])[C@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 c1ccc(cc1)[*:1] O=C([O-])[C@H]1CS[C@@]2(CCC(=O)N12)[*:1]
CC/C=C(/C)C(=O)N1C[C@@H](C)O[C@H](C)C1 CCC=C(C)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)[*:1]
CC[C@@](C)(C#N)NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC[C@@](C)(C#N)NC(=O)C1CCN(CC1)C(=O)N(C)[*:1]
CC[C@@](C)(C#N)NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@](C)(C#N)NC(=O)C1CCN(CC1)C(=O)N(C)C[*:1]
Cc1c(Cl)cccc1NC(=O)c1ccc2nc(N3CCOCC3)sc2c1 C1CN(CCO1)[*:1] Cc1c(Cl)cccc1NC(=O)c1ccc2nc(sc2c1)[*:1]
Cc1c(Cl)cccc1NC(=O)c1ccc2nc(N3CCOCC3)sc2c1 Cc1c(Cl)cccc1[*:1] O=C(N[*:1])c1ccc2nc(sc2c1)N1CCOCC1
CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(O)c(OC)c1 COc1cc(ccc1O)[*:1] CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1[*:1]
CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(O)c(OC)c1 CCC[*:1] COc1cc(ccc1O)[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
CCOC(=O)N1CCN(C(=O)Cn2nc(-c3cccc(OC)c3)ccc2=O)CC1 COc1cccc(c1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)Cn1nc(ccc1=O)[*:1]
CCc1nn(C)cc1C[NH2+]C[C@@H](C)Oc1ccccc1Cl Clc1ccccc1[*:1] CCc1nn(C)cc1C[NH2+]C[C@@H](C)O[*:1]
O=C1C[C@@H](C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)CN1Cc1ccco1 c1ccc2sc(nc2c1)[*:1] O=C1C[C@H](CN1Cc1ccco1)C(=O)N(CCc1ccccc1)[*:1]
O=C1C[C@@H](C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)CN1Cc1ccco1 c1ccc(cc1)C[*:1] O=C1C[C@H](CN1Cc1ccco1)C(=O)N(C[*:1])c1nc2ccccc2s1
O=C1C[C@@H](C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)CN1Cc1ccco1 c1coc(c1)[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N(CCc1ccccc1)c1nc2ccccc2s1
O=C1C[C@@H](C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)CN1Cc1ccco1 c1coc(c1)C[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N(CCc1ccccc1)c1nc2ccccc2s1
O=C1C[C@@H](C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)CN1Cc1ccco1 c1ccc(cc1)CC[*:1] O=C1C[C@H](CN1Cc1ccco1)C(=O)N(c1nc2ccccc2s1)[*:1]
O=C1C[C@@H](C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)CN1Cc1ccco1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1Cc1ccco1)C(=O)N(CC[*:1])c1nc2ccccc2s1
Cc1ccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1c(CCNC(=O)[*:1])nc2ccccc21)N1CCCCC1
Cc1ccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 Cc1ccc(cc1)C(=O)N[*:1] O=C(Cn1c(CC[*:1])nc2ccccc21)N1CCCCC1
Cc1ccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 O=C(C[*:1])N1CCCCC1 Cc1ccc(cc1)C(=O)NCCc1nc2ccccc2n1[*:1]
Cc1ccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)C(=O)NCCc1nc2ccccc2n1C[*:1]
COC(=O)Nc1cccc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)c1 COC(=O)N[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)OC[C@H]1CCCO1
C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c2ccccc21 O=[N+]([O-])[*:1] C[C@@H]1CCN(C(=O)c2cc(cc(c2)[*:1])S(C)(=O)=O)c2ccccc21
C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c2ccccc21 CS(=O)(=O)[*:1] C[C@@H]1CCN(C(=O)c2cc(cc(c2)[*:1])[N+](=O)[O-])c2ccccc21
CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4o3)C2)cc1 CCO[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1CCCN(C1)c1nc2ccccc2o1
CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4o3)C2)cc1 CCOc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nc2ccccc2o1
CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4o3)C2)cc1 c1ccc2oc(nc2c1)[*:1] CCOc1ccc(cc1)CNC(=O)[C@@H]1CCCN(C1)[*:1]
CCCCc1noc([C@@H](C)[S@@](=O)Cc2ccc(Cl)cc2Cl)n1 CCCC[*:1] C[C@H](c1nc(no1)[*:1])[S@@](=O)Cc1ccc(Cl)cc1Cl
CCCCc1noc([C@@H](C)[S@@](=O)Cc2ccc(Cl)cc2Cl)n1 CCC[*:1] C[C@H](c1nc(C[*:1])no1)[S@@](=O)Cc1ccc(Cl)cc1Cl
Cc1c(Cl)cccc1NC(=O)C[NH+](C)Cc1ccc(OC(F)F)cc1 FC(F)[*:1] Cc1c(Cl)cccc1NC(=O)C[NH+](C)Cc1ccc(cc1)O[*:1]
Cc1c(Cl)cccc1NC(=O)C[NH+](C)Cc1ccc(OC(F)F)cc1 Cc1c(Cl)cccc1[*:1] C[NH+](CC(=O)N[*:1])Cc1ccc(cc1)OC(F)F
Cc1c(Cl)cccc1NC(=O)C[NH+](C)Cc1ccc(OC(F)F)cc1 FC(F)O[*:1] Cc1c(Cl)cccc1NC(=O)C[NH+](C)Cc1ccc(cc1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(COc3ccccc3)n2)C1 CCOC(=O)[*:1] O=C(c1csc(COc2ccccc2)n1)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(COc3ccccc3)n2)C1 c1ccc(cc1)O[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1csc(C[*:1])n1
CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(COc3ccccc3)n2)C1 c1ccc(cc1)OC[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(COc3ccccc3)n2)C1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1csc(CO[*:1])n1
CC[C@H](C)CN(CC)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CC[C@H](C)CN(CC)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
CC[C@H](C)CN(CC)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CC[C@H](C)CN(CC)C(=O)N[C@@H]1CCCN(C[*:1])C1=O
CC[C@H](C)CN(CC)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O CC[C@H](C)C[*:1] CCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
CC[C@H](C)CN(CC)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O CC[C@H](C)[*:1] CCN(C[*:1])C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O
C=CCCCN(C)Cn1c(=O)n(C)c2ccccc21 C=CC[*:1] CN(CC[*:1])Cn1c(=O)n(C)c2ccccc21
C=CCCCN(C)Cn1c(=O)n(C)c2ccccc21 C=CCCC[*:1] CN(Cn1c(=O)n(C)c2ccccc21)[*:1]
C=CCCCN(C)Cn1c(=O)n(C)c2ccccc21 C=CCC[*:1] CN(Cn1c(=O)n(C)c2ccccc21)C[*:1]
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Oc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)CS[C@@H](C)C(=O)O[*:1]
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Oc2cccc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)OC(=O)[C@H](C)SCC(=O)N[*:1]
CC(=O)[C@H](C)n1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21 Clc1ccccc1[*:1] CC(=O)[C@H](C)n1c(CCNC(=O)[*:1])nc2ccccc21
CC(=O)[C@H](C)n1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21 CC(=O)[*:1] C[C@H](n1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21)[*:1]
C[C@H]1CCCN(C(=O)NCCNC(=O)c2ccccc2F)C1 Fc1ccccc1[*:1] C[C@H]1CCCN(C1)C(=O)NCCNC(=O)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)c1csc(-c2ncccn2)n1 c1cnc(nc1)[*:1] CCC[C@@H]1C[C@H]1NC(=O)c1csc(n1)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)c1csc(-c2ncccn2)n1 CCC[*:1] O=C(N[C@@H]1C[C@H]1[*:1])c1csc(n1)-c1ncccn1
Cc1ccc(NC(=O)C[NH+](C)Cc2cccs2)nc1 c1csc(c1)[*:1] Cc1ccc(nc1)NC(=O)C[NH+](C)C[*:1]
Cc1ccc(NC(=O)C[NH+](C)Cc2cccs2)nc1 c1csc(c1)C[*:1] Cc1ccc(nc1)NC(=O)C[NH+](C)[*:1]
COc1ccc(Oc2cncc([C@H]3CCCN3C(=O)c3oc(C)nc3C)n2)cc1 COc1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)N1CCC[C@@H]1c1cncc(n1)O[*:1]
COc1ccc(Oc2cncc([C@H]3CCCN3C(=O)c3oc(C)nc3C)n2)cc1 Cc1nc(C)c(o1)[*:1] COc1ccc(cc1)Oc1cncc(n1)[C@H]1CCCN1C(=O)[*:1]
COc1ccc(Oc2cncc([C@H]3CCCN3C(=O)c3oc(C)nc3C)n2)cc1 COc1ccc(cc1)O[*:1] Cc1nc(C)c(o1)C(=O)N1CCC[C@@H]1c1cncc(n1)[*:1]
NC(=O)[C@@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 c1ccn(c1)[*:1] NC(=O)[C@@H]1CCN(C(=O)c2ccc(cc2)[*:1])c2ccccc21
NC(=O)[C@@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 NC(=O)[*:1] O=C(c1ccc(cc1)-n1cccc1)N1CC[C@H](c2ccccc21)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccccc2)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCCCC1)C[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCCCC1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CN(Cc1ccccc1)S(=O)(=O)[*:1])N1CCCCC1
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccccc2)cc1 O=C(C[*:1])N1CCCCC1 Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[*:1]
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cnc(N2CCCC2)nc1 C=CC[*:1] O=C1c2ccccc2N[C@H](c2cnc(nc2)N2CCCC2)N1[*:1]
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cnc(N2CCCC2)nc1 C1CCN(C1)[*:1] C=CCN1C(=O)c2ccccc2N[C@@H]1c1cnc(nc1)[*:1]
O=C(C[C@H]1CCCO1)NCCc1nnc2n1CCC2 C1CO[C@H](C1)C[*:1] O=C(NCCc1nnc2CCCn21)[*:1]
O=C(C[C@H]1CCCO1)NCCc1nnc2n1CCC2 C1CO[C@H](C1)[*:1] O=C(C[*:1])NCCc1nnc2CCCn21
CCC(CC)c1cc(CNC(=O)c2cccc(-n3cncn3)c2)on1 c1ncn(n1)[*:1] CCC(CC)c1cc(CNC(=O)c2cccc(c2)[*:1])on1
CCC(CC)c1cc(CNC(=O)c2cccc(-n3cncn3)c2)on1 CCC(CC)[*:1] O=C(NCc1cc(no1)[*:1])c1cccc(c1)-n1cncn1
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](c2ccccc2)C1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1CCO[C@H](C1)c1ccccc1
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])C(=O)N1CCO[C@@H](C1)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
CN(C[C@@H](O)C1CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 O[C@H](C[*:1])C1CC1 CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 O[C@@H](C1CC1)[*:1] CN(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
O=S(=O)(CC1CCC1)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=S(=O)(CC1CCC1)N1CCC[C@@H]1C[*:1]
O=S(=O)(CC1CCC1)N1CCC[C@@H]1CN1CCOCC1 C1CC(C1)[*:1] O=S(=O)(C[*:1])N1CCC[C@@H]1CN1CCOCC1
O=S(=O)(CC1CCC1)N1CCC[C@@H]1CN1CCOCC1 C1CC(C1)C[*:1] O=S(=O)(N1CCC[C@@H]1CN1CCOCC1)[*:1]
CC(=O)Nc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1F CC(=O)N[*:1] O=C1NC[C@H]2CN(CCN2C1=O)S(=O)(=O)c1ccc(F)c(c1)[*:1]
COC(=O)c1sc2cc(NC(=S)N[C@@H](C)[C@H]3CCCO3)ccc2c1Cl C1CO[C@H](C1)[*:1] COC(=O)c1sc2cc(ccc2c1Cl)NC(=S)N[C@@H](C)[*:1]
COC(=O)c1sc2cc(NC(=S)N[C@@H](C)[C@H]3CCCO3)ccc2c1Cl COC(=O)[*:1] C[C@H](NC(=S)Nc1ccc2c(Cl)c(sc2c1)[*:1])[C@H]1CCCO1
N[C@H](c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(F)(F)F FC(F)(F)[*:1] N[C@H](c1c(Cl)ccc(c1Cl)[N+](=O)[O-])[*:1]
N[C@H](c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(F)(F)F O=[N+]([O-])[*:1] N[C@H](c1c(Cl)ccc(c1Cl)[*:1])C(F)(F)F
CCOCCn1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CCOCCn1c(nc2ccccc21)[C@@H](C)NC(=O)[*:1]
CCOCCn1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21 CCOC[*:1] C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1C[*:1]
CCOCCn1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21 CCO[*:1] C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC[*:1]
CCOCCn1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21 CCOCC[*:1] C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1[*:1]
CNC(=O)Cc1ccccc1NCc1cc(C(N)=O)cs1 CNC(=O)[*:1] NC(=O)c1csc(c1)CNc1ccccc1C[*:1]
CNC(=O)Cc1ccccc1NCc1cc(C(N)=O)cs1 NC(=O)[*:1] CNC(=O)Cc1ccccc1NCc1cc(cs1)[*:1]
CNC(=O)Cc1ccccc1NCc1cc(C(N)=O)cs1 CNC(=O)C[*:1] NC(=O)c1csc(c1)CNc1ccccc1[*:1]
CC(C)(C)CC(=O)NCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 CC(C)(C)[*:1] N#C[C@H](C(=O)CNC(=O)C[*:1])c1ccc2ccccc2n1
CC(C)(C)CC(=O)NCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 CC(C)(C)C[*:1] N#C[C@H](C(=O)CNC(=O)[*:1])c1ccc2ccccc2n1
CC(C)(C)CC(=O)NCC(=O)[C@@H](C#N)c1ccc2ccccc2n1 CC(C)(C)CC(=O)N[*:1] N#C[C@H](C(=O)C[*:1])c1ccc2ccccc2n1
COC(=O)[C@@]1(NC(=O)CCCc2cc(Cl)sc2Cl)CCOC1 Clc1cc(c(Cl)s1)[*:1] COC(=O)[C@]1(CCOC1)NC(=O)CCC[*:1]
COC(=O)[C@@]1(NC(=O)CCCc2cc(Cl)sc2Cl)CCOC1 COC(=O)[*:1] O=C(CCCc1cc(Cl)sc1Cl)N[C@]1(CCOC1)[*:1]
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@H]1C[C@H](CN1C(=O)Nc1ccc(cc1)[*:1])c1ccc(F)cc1
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(C(N)=O)cc1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1C(=O)Nc1ccc(cc1)C(N)=O)[*:1]
C[C@@H]1CC(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)C[C@@H](C)O1 c1csc(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCc2sccc2[C@H]1[*:1]
COC(=O)CNC(=O)N1[C@@H](C(=O)[O-])CC[C@@H]2CCCC[C@H]21 O=C([O-])[*:1] COC(=O)CNC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1[*:1]
COC(=O)CNC(=O)N1[C@@H](C(=O)[O-])CC[C@@H]2CCCC[C@H]21 COC(=O)[*:1] O=C([O-])[C@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)NC[*:1]
COC(=O)CNC(=O)N1[C@@H](C(=O)[O-])CC[C@@H]2CCCC[C@H]21 COC(=O)C[*:1] O=C([O-])[C@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)N[*:1]
CNC(=O)NCC(=O)NCCc1nc(-c2ccccc2)c(C)s1 CNC(=O)NC[*:1] Cc1sc(CCNC(=O)[*:1])nc1-c1ccccc1
CNC(=O)NCC(=O)NCCc1nc(-c2ccccc2)c(C)s1 c1ccc(cc1)[*:1] CNC(=O)NCC(=O)NCCc1nc(c(C)s1)[*:1]
CNC(=O)NCC(=O)NCCc1nc(-c2ccccc2)c(C)s1 CNC(=O)N[*:1] Cc1sc(CCNC(=O)C[*:1])nc1-c1ccccc1
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccccc1Cn1cccn1 c1cnn(c1)C[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccccc1[*:1]
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccccc1Cn1cccn1 c1cnn(c1)[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccccc1C[*:1]
COC(=O)[C@@]1(F)CCN(Cc2cc(C(F)(F)F)ccc2F)C1 FC(F)(F)[*:1] COC(=O)[C@@]1(F)CCN(Cc2cc(ccc2F)[*:1])C1
COC(=O)[C@@]1(F)CCN(Cc2cc(C(F)(F)F)ccc2F)C1 COC(=O)[*:1] Fc1ccc(cc1CN1CC[C@](F)(C1)[*:1])C(F)(F)F
COc1cccc(-c2nnc(S[C@@H](C)C(=O)N(C)C)n2Cc2ccco2)c1 c1coc(c1)C[*:1] COc1cccc(c1)-c1nnc(S[C@@H](C)C(=O)N(C)C)n1[*:1]
COc1cccc(-c2nnc(S[C@@H](C)C(=O)N(C)C)n2Cc2ccco2)c1 c1coc(c1)[*:1] COc1cccc(c1)-c1nnc(S[C@@H](C)C(=O)N(C)C)n1C[*:1]
COc1cccc(-c2nnc(S[C@@H](C)C(=O)N(C)C)n2Cc2ccco2)c1 COc1cccc(c1)[*:1] C[C@H](Sc1nnc(n1Cc1ccco1)[*:1])C(=O)N(C)C
COc1cccc(-c2nnc(S[C@@H](C)C(=O)N(C)C)n2Cc2ccco2)c1 CN(C)C(=O)[*:1] COc1cccc(c1)-c1nnc(S[C@@H](C)[*:1])n1Cc1ccco1
Cc1n[nH]cc1CN1CCO[C@@](C)(c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1n[nH]cc1CN1CCO[C@@](C)(C1)[*:1]
Cc1n[nH]cc1CN1CCO[C@@](C)(c2ccccc2)C1 Cc1n[nH]cc1[*:1] C[C@@]1(CN(CCO1)C[*:1])c1ccccc1
CCc1ccc(N[C@@H]2CCN(C3CC3)C2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])N[C@@H]1CCN(C1=O)C1CC1
CCc1ccc(N[C@@H]2CCN(C3CC3)C2=O)cc1[N+](=O)[O-] C1CC1[*:1] CCc1ccc(cc1[N+](=O)[O-])N[C@@H]1CCN(C1=O)[*:1]
CC[C@@H](C)c1ccc([C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)c2cccs2)cc1 CC[C@@H](C)[*:1] O=C(N[C@H](c1ccc(cc1)[*:1])c1cccs1)c1ccc(nc1)-n1ccnc1
CC[C@@H](C)c1ccc([C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)c2cccs2)cc1 c1csc(c1)[*:1] CC[C@@H](C)c1ccc(cc1)[C@@H](NC(=O)c1ccc(nc1)-n1ccnc1)[*:1]
CC[C@@H](C)c1ccc([C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)c2cccs2)cc1 c1cn(cn1)[*:1] CC[C@@H](C)c1ccc(cc1)[C@@H](NC(=O)c1ccc(nc1)[*:1])c1cccs1
CC[C@@H](C)c1ccc([C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)c2cccs2)cc1 CC[C@@H](C)c1ccc(cc1)[*:1] O=C(N[C@@H](c1cccs1)[*:1])c1ccc(nc1)-n1ccnc1
COc1ccccc1NC(=O)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccccc1NC(=O)C1(CC1)[*:1]
O=C(c1ccc2nsnc2c1)N1CCO[C@@H](C(=O)N2CCCCC2)C1 O=C(N1CCCCC1)[*:1] O=C(c1ccc2nsnc2c1)N1CCO[C@@H](C1)[*:1]
Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]Cc1cccc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] Clc1ccc2c(CC[C@@H]2[NH2+]Cc2cccc(c2)[*:1])c1Cl
Cc1ccccc1O[C@H](C)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1ccccc1O[C@H](C)C(=O)N[*:1]
Cc1ccccc1O[C@H](C)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1ccccc1O[C@H](C)C(=O)NC[*:1]
CS(=O)(=O)[N-]c1cccc(NC(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1 c1cc([nH]n1)[*:1] CS(=O)(=O)[N-]c1cccc(c1)NC(=O)N1CCC[C@H](C1)[*:1]
Cn1cnc(CNC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cnc(CNC(=O)NC[C@H]2CCCO[C@@H]2[*:1])n1
Cn1cnc(CNC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)n1 Cn1cnc(C[*:1])n1 CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N[*:1]
Cn1cnc(CNC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)n1 Cn1cnc(n1)[*:1] CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NC[*:1]
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O Fc1ccc(cc1)CO[*:1] C#CCN1C(=O)S/C(=C/c2cc(Cl)c(c(c2)OC)[*:1])C1=O
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O Fc1ccc(cc1)[*:1] C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OC[*:1])c(c2)OC)C1=O
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O C#CC[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)[*:1])cc(Cl)c1OCc1ccc(F)cc1
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O Fc1ccc(cc1)C[*:1] C#CCN1C(=O)S/C(=C/c2cc(Cl)c(O[*:1])c(c2)OC)C1=O
O=C(C(c1ccccc1)c1ccccc1)N1CCCSCC1 c1ccc(cc1)[*:1] O=C(C(c1ccccc1)[*:1])N1CCCSCC1
COc1ccc(NC(=O)c2nnc(CN(C)[C@H]3CCc4ccccc43)s2)cc1 COc1ccc(cc1)[*:1] CN(Cc1nnc(s1)C(=O)N[*:1])[C@H]1CCc2ccccc21
CC(C)(C)C(=O)N1CCC(C(=O)Oc2ccc(N3CCCC3=O)cc2)CC1 CC(C)(C)[*:1] O=C(Oc1ccc(cc1)N1CCCC1=O)C1CCN(CC1)C(=O)[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)Oc2ccc(N3CCCC3=O)cc2)CC1 O=C1CCCN1[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)Oc1ccc(cc1)[*:1]
CCC(=O)NCC(=O)NCC1(CC(C)C)CCCC1 CCC(=O)N[*:1] CC(C)CC1(CCCC1)CNC(=O)C[*:1]
CCC(=O)NCC(=O)NCC1(CC(C)C)CCCC1 CC(C)[*:1] CCC(=O)NCC(=O)NCC1(CCCC1)C[*:1]
CCC(=O)NCC(=O)NCC1(CC(C)C)CCCC1 CC(C)C[*:1] CCC(=O)NCC(=O)NCC1(CCCC1)[*:1]
CCC(=O)NCC(=O)NCC1(CC(C)C)CCCC1 CCC(=O)NC[*:1] CC(C)CC1(CCCC1)CNC(=O)[*:1]
COC(=O)c1ccc([C@H](C)Oc2cc(F)ccc2F)o1 COC(=O)[*:1] C[C@H](Oc1cc(F)ccc1F)c1ccc(o1)[*:1]
O=C(c1cc(=O)c2ccccc2o1)N1CCc2c(cnn2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cc(=O)c2ccccc2o1)N1CCc2c(cnn2[*:1])C1
Cc1nc(Cl)sc1C(=O)NCCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(Cl)sc1C(=O)NCCS(=O)(=O)[*:1]
Cc1nc(Cl)sc1C(=O)NCCS(=O)(=O)c1ccccc1 Cc1nc(Cl)sc1[*:1] O=C(NCCS(=O)(=O)c1ccccc1)[*:1]
COC(=O)c1ncn(CCOc2ccc(C(C)C)c(C)c2)n1 CC(C)[*:1] COC(=O)c1ncn(CCOc2ccc(c(C)c2)[*:1])n1
COC(=O)c1ncn(CCOc2ccc(C(C)C)c(C)c2)n1 COC(=O)[*:1] Cc1cc(ccc1C(C)C)OCCn1cnc(n1)[*:1]
COc1cc(F)cc(NC(=O)Nc2cnc(C3CC3)nc2)c1 C1CC1[*:1] COc1cc(F)cc(c1)NC(=O)Nc1cnc(nc1)[*:1]
Cc1ccc(F)cc1NC(=O)C(=O)NCc1cscn1 c1nc(cs1)C[*:1] Cc1ccc(F)cc1NC(=O)C(=O)N[*:1]
Cc1ccc(F)cc1NC(=O)C(=O)NCc1cscn1 c1nc(cs1)[*:1] Cc1ccc(F)cc1NC(=O)C(=O)NC[*:1]
COc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1 COc1ccc(cc1)[*:1] CC1CC[NH+](CC1)Cc1nnc(o1)-c1cn(CC(=O)N[*:1])c2ccccc12
COc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1 COc1ccc(cc1)NC(=O)[*:1] CC1CC[NH+](CC1)Cc1nnc(o1)-c1cn(C[*:1])c2ccccc12
C[C@@H]1OCC[C@@H]1C(=O)NCC[S@@](=O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCC[S@@](=O)C[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCCC1)[C@H](O)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[*:1]
O=C(CCc1ccc(-c2ccc(F)cc2)o1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CCc1ccc(o1)-c1ccc(F)cc1)N[*:1]
O=C(CCc1ccc(-c2ccc(F)cc2)o1)NC1CCCC1 Fc1ccc(cc1)[*:1] O=C(CCc1ccc(o1)[*:1])NC1CCCC1
Cc1ccccc1Cc1noc(C[NH+]2CCC(N3CCCC3)CC2)n1 Cc1ccccc1[*:1] C1CCN(C1)C1CC[NH+](CC1)Cc1nc(C[*:1])no1
Cc1ccccc1Cc1noc(C[NH+]2CCC(N3CCCC3)CC2)n1 C1CCN(C1)[*:1] Cc1ccccc1Cc1noc(C[NH+]2CCC(CC2)[*:1])n1
Cc1ccccc1Cc1noc(C[NH+]2CCC(N3CCCC3)CC2)n1 Cc1ccccc1C[*:1] C1CCN(C1)C1CC[NH+](CC1)Cc1nc(no1)[*:1]
CC(C)CN1CC2(CCN(C(=O)[C@H]3CCCCn4nnnc43)CC2)CC1=O CC(C)C[*:1] O=C([C@H]1CCCCn2nnnc21)N1CCC2(CC1)CC(=O)N(C2)[*:1]
CC(C)CN1CC2(CCN(C(=O)[C@H]3CCCCn4nnnc43)CC2)CC1=O CC(C)[*:1] O=C1CC2(CCN(CC2)C(=O)[C@H]2CCCCn3nnnc32)CN1C[*:1]
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)NCCc2ncnn2C)C1 Cn1ncnc1CC[*:1] Cc1cc(F)ccc1N1CCC[C@H](C1)NC(=O)N[*:1]
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)NCCc2ncnn2C)C1 Cn1ncnc1C[*:1] Cc1cc(F)ccc1N1CCC[C@H](C1)NC(=O)NC[*:1]
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)NCCc2ncnn2C)C1 Cn1ncnc1[*:1] Cc1cc(F)ccc1N1CCC[C@H](C1)NC(=O)NCC[*:1]
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)NCCc2ncnn2C)C1 Cc1cc(F)ccc1[*:1] Cn1ncnc1CCNC(=O)N[C@@H]1CCCN(C1)[*:1]
COc1ccc(C)cc1NC(=O)C[C@@H]1N=C(N/C(N)=N/c2cccc(C)c2)N=C1[O-] COc1ccc(C)cc1[*:1] Cc1cccc(c1)/N=C(\N)NC1=N[C@@H](CC(=O)N[*:1])C([O-])=N1
COc1ccc(C)cc1NC(=O)C[C@@H]1N=C(N/C(N)=N/c2cccc(C)c2)N=C1[O-] Cc1cccc(c1)[*:1] COc1ccc(C)cc1NC(=O)C[C@@H]1N=C(N=C1[O-])NC(N)=N[*:1]
CCOCCOc1cc(C)ccc1CNC(=O)N1CC[C@H](C)[C@H](O)C1 CCO[*:1] Cc1ccc(CNC(=O)N2CC[C@H](C)[C@H](O)C2)c(c1)OCC[*:1]
CCOCCOc1cc(C)ccc1CNC(=O)N1CC[C@H](C)[C@H](O)C1 CCOC[*:1] Cc1ccc(CNC(=O)N2CC[C@H](C)[C@H](O)C2)c(c1)OC[*:1]
CCOCCOc1cc(C)ccc1CNC(=O)N1CC[C@H](C)[C@H](O)C1 CCOCC[*:1] Cc1ccc(CNC(=O)N2CC[C@H](C)[C@H](O)C2)c(c1)O[*:1]
CCOCCOc1cc(C)ccc1CNC(=O)N1CC[C@H](C)[C@H](O)C1 CCOCCO[*:1] Cc1ccc(CNC(=O)N2CC[C@H](C)[C@H](O)C2)c(c1)[*:1]
CCc1cc(CNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)on1 CCc1cc(C[*:1])on1 Cc1nn(-c2ccc(cc2)C(=O)N[*:1])c(C)c1Cl
CCc1cc(CNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)on1 CCc1cc(on1)[*:1] Cc1nn(-c2ccc(cc2)C(=O)NC[*:1])c(C)c1Cl
CCc1cc(CNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)on1 Cc1nn(c(C)c1Cl)[*:1] CCc1cc(CNC(=O)c2ccc(cc2)[*:1])on1
CCn1nc(C(C)C)cc1C(=O)NC[C@@H](c1sccc1C)[NH+](C)C Cc1ccsc1[*:1] CCn1nc(cc1C(=O)NC[C@@H]([NH+](C)C)[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)NC[C@@H](c1sccc1C)[NH+](C)C CC(C)[*:1] CCn1nc(cc1C(=O)NC[C@@H](c1sccc1C)[NH+](C)C)[*:1]
CS(=O)(=O)NC1CCN(C(=O)NCCN2CCOCC2)CC1 C1CN(CCO1)[*:1] CS(=O)(=O)NC1CCN(CC1)C(=O)NCC[*:1]
CS(=O)(=O)NC1CCN(C(=O)NCCN2CCOCC2)CC1 CS(=O)(=O)N[*:1] O=C(NCCN1CCOCC1)N1CCC(CC1)[*:1]
CS(=O)(=O)NC1CCN(C(=O)NCCN2CCOCC2)CC1 C1CN(CCO1)C[*:1] CS(=O)(=O)NC1CCN(CC1)C(=O)NC[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)C1CCN(C(=O)C3CC3)CC1)C2 C1CC1[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)OC(=O)C1CCN(CC1)C(=O)[*:1]
O[C@@](C#CC[NH+]1CCCC1)(c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] O[C@@](C#CC[NH+]1CCCC1)(c1cccc(F)c1)[*:1]
O[C@@](C#CC[NH+]1CCCC1)(c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O[C@@](C#CC[NH+]1CCCC1)(c1ccccc1)[*:1]
O=C(NCC1CC1)c1ccc(NC(=O)c2ccccc2)cc1 C1CC1[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)c1ccccc1
O=C(NCC1CC1)c1ccc(NC(=O)c2ccccc2)cc1 O=C(NCC1CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1
O=C(NCC1CC1)c1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCC1CC1)c1ccc(cc1)NC(=O)[*:1]
O=C(NCC1CC1)c1ccc(NC(=O)c2ccccc2)cc1 C1CC1C[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1
Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1 C1CCC(CC1)[*:1] Nc1c(C(=O)N[*:1])c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1
Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1 O=C(NC1CCCCC1)[*:1] Nc1c(c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1)[*:1]
Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1N=C[*:1]
C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc(F)c1C C=CC[*:1] C=CCN(C(=O)[C@H](C)Nc1cccc(F)c1C)[*:1]
C[C@@H](CNC(=O)c1cc(F)c(F)c(F)c1F)Oc1ccccc1F Fc1ccccc1[*:1] C[C@@H](CNC(=O)c1cc(F)c(F)c(F)c1F)O[*:1]
C[C@@H](CNC(=O)c1cc(F)c(F)c(F)c1F)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@@H](CNC(=O)c1cc(F)c(F)c(F)c1F)[*:1]
Cc1sc(C(=O)Nc2cn(C)nc2-c2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)Nc1cn(C)nc1[*:1]
Cc1sc(C(=O)Nc2cn(C)nc2-c2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1sc(cc1[*:1])C(=O)Nc1cn(C)nc1-c1ccccc1
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)C[*:1]
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1cccs1 c1csc(c1)C[*:1] C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[*:1]
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1cccs1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N(C)Cc1cccs1
Cc1ccc(CNC(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)s1 Cc1ccc(C[*:1])s1 C[C@H]1CN(Cc2ccccc2NC(=O)N[*:1])C[C@@H](C)O1
Cc1ccc(CNC(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)s1 Cc1ccc(s1)[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)NC[*:1])C[C@@H](C)O1
C[C@@H]1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1ccc(cc1)C(=O)N[*:1]
CCOC1CCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 O=[N+]([O-])c1ccccc1[*:1] CCOC1CCN(CC1)C(=O)c1nn(c(C)cc1=O)[*:1]
CCOC1CCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 O=[N+]([O-])[*:1] CCOC1CCN(CC1)C(=O)c1nn(-c2ccccc2[*:1])c(C)cc1=O
CCOC1CCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 CCO[*:1] Cc1cc(=O)c(nn1-c1ccccc1[N+](=O)[O-])C(=O)N1CCC(CC1)[*:1]
CCc1nn(C)cc1C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C Fc1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)N[C@H](C[*:1])C(C)C
CCc1nn(C)cc1C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C CC(C)[*:1] CCc1nn(C)cc1C(=O)N[C@H](Cc1ccc(F)cc1)[*:1]
CCc1cccc(CC)c1NC(=O)C(=O)N[C@@H](CC)c1ccncc1 c1cc(ccn1)[*:1] CCc1cccc(CC)c1NC(=O)C(=O)N[C@@H](CC)[*:1]
Cc1ccc2nc(SCc3nc(Cc4ccccc4)no3)n(C)c(=O)c2c1 c1ccc(cc1)C[*:1] Cc1ccc2nc(SCc3nc(no3)[*:1])n(C)c(=O)c2c1
Cc1ccc2nc(SCc3nc(Cc4ccccc4)no3)n(C)c(=O)c2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(SCc3nc(C[*:1])no3)n(C)c(=O)c2c1
C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(OC(F)F)c2ncccc12 FC(F)[*:1] C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(O[*:1])c2ncccc12
C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(OC(F)F)c2ncccc12 FC(F)O[*:1] C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(c2ncccc12)[*:1]
C[C@H](c1cccnc1)N1CCN(Cc2cnc(-c3cccnc3)s2)CC1 c1cncc(c1)[*:1] C[C@H](N1CCN(CC1)Cc1cnc(s1)-c1cccnc1)[*:1]
C[C@H](c1cccnc1)N1CCN(Cc2cnc(-c3cccnc3)s2)CC1 C[C@H](c1cccnc1)[*:1] c1cncc(c1)-c1ncc(CN2CCN(CC2)[*:1])s1
C[C@H](c1cccnc1)N1CCN(Cc2cnc(-c3cccnc3)s2)CC1 c1cncc(c1)[*:1] C[C@H](c1cccnc1)N1CCN(CC1)Cc1cnc(s1)[*:1]
COc1ccc(O[C@H](C)CNC(=O)[C@@H](C)SC)cc1 CS[C@H](C)[*:1] COc1ccc(cc1)O[C@H](C)CNC(=O)[*:1]
O=C(NCC1(CO)CC1)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 OCC1(CC1)C[*:1] O=C(Nc1ccc2CCCN(c2c1)S(=O)(=O)c1cccs1)C(=O)N[*:1]
O=C(NCC1(CO)CC1)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 c1csc(c1)[*:1] O=C(NCC1(CO)CC1)C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)[*:1]
O=C(NCC1(CO)CC1)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 OCC1(CC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1cccs1
CCCC[C@@](CC)(C[C@H]1CCOC1)C(=O)[O-] CCCC[*:1] CC[C@@](C[C@H]1CCOC1)(C(=O)[O-])[*:1]
CCCC[C@@](CC)(C[C@H]1CCOC1)C(=O)[O-] O=C([O-])[*:1] CCCC[C@@](CC)(C[C@H]1CCOC1)[*:1]
CCCC[C@@](CC)(C[C@H]1CCOC1)C(=O)[O-] C1C[C@@H](CO1)[*:1] CCCC[C@@](CC)(C[*:1])C(=O)[O-]
CCCC[C@@](CC)(C[C@H]1CCOC1)C(=O)[O-] CCC[*:1] CC[C@@](C[C@H]1CCOC1)(C[*:1])C(=O)[O-]
C[C@H]1C[C@H](C)CN(C2=NC([O-])=C3C(=NC(=O)[C@H](C#N)[C@@H]3/C=C/c3ccccc3)N2)C1 C(=C[*:1])c1ccccc1 C[C@H]1C[C@H](C)CN(C1)C1=NC([O-])=C2C(=NC(=O)[C@H](C#N)[C@H]2[*:1])N1
C[C@H]1C[C@H](C)CN(C2=NC([O-])=C3C(=NC(=O)[C@H](C#N)[C@@H]3/C=C/c3ccccc3)N2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](C)CN(C1)C1=NC([O-])=C2C(=NC(=O)[C@H](C#N)[C@@H]2C=C[*:1])N1
CCc1ccc(OC(=O)OCC(C)C)cc1 CC(C)C[*:1] CCc1ccc(cc1)OC(=O)O[*:1]
CCc1ccc(OC(=O)OCC(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)OC(=O)OC[*:1]
CC(C)(C)c1n[nH]cc1CNc1ccccc1OCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)(C)c1n[nH]cc1CNc1ccccc1OC[*:1]
CC(C)(C)c1n[nH]cc1CNc1ccccc1OCC(=O)N1CCOCC1 CC(C)(C)[*:1] O=C(COc1ccccc1NCc1c[nH]nc1[*:1])N1CCOCC1
CC(C)(C)c1n[nH]cc1CNc1ccccc1OCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 CC(C)(C)c1n[nH]cc1CNc1ccccc1O[*:1]
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)[*:1]
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)C1CC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCNS(=O)(=O)[*:1])C1CC1
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)C1CC1 C[C@@H](C1CC1)[*:1] O=C(CCNS(=O)(=O)c1ccccc1)N[*:1]
Cc1cc(NC(=O)[C@@H](C)[NH+]2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)on1 Cc1cc(NC(=O)[*:1])on1 C[C@@H]([NH+]1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1)[*:1]
Cc1cc(NC(=O)[C@@H](C)[NH+]2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)on1 Cc1cc(on1)[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1
CCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)s1 CCc1ccc(s1)[*:1] O=C(N1CCC[C@@H](C1)c1nc2ccccc2[nH]1)[*:1]
CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)n[nH]c1=O Clc1ccc(cc1)[*:1] CCCn1c(n[nH]c1=O)SCC(=O)N[*:1]
CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)n[nH]c1=O CCC[*:1] O=C(CSc1n[nH]c(=O)n1[*:1])Nc1ccc(Cl)cc1
C[C@H](CCc1cccn1C)NC(=O)N1CCC[C@H](O)C1 Cn1cccc1[*:1] C[C@H](CC[*:1])NC(=O)N1CCC[C@H](O)C1
COc1cc(OC)cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)N1CCC[C@@H]1[C@@H](C#N)[*:1])OC
COC(=O)c1n[nH]c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc12 COC(=O)[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1ccc2[nH]nc(c2c1)[*:1]
Cc1ccccc1Cc1nc(CS(=O)(=O)c2ccccc2F)no1 Fc1ccccc1[*:1] Cc1ccccc1Cc1nc(CS(=O)(=O)[*:1])no1
Cc1ccccc1Cc1nc(CS(=O)(=O)c2ccccc2F)no1 Cc1ccccc1[*:1] O=S(=O)(Cc1noc(C[*:1])n1)c1ccccc1F
Cc1ccccc1Cc1nc(CS(=O)(=O)c2ccccc2F)no1 Cc1ccccc1C[*:1] O=S(=O)(Cc1noc(n1)[*:1])c1ccccc1F
C=CCCCN(C)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 C=CC[*:1] C[C@@H](NC(=O)N(C)CC[*:1])c1cccc(c1)-n1cccn1
C=CCCCN(C)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C=CCCCN(C)C(=O)N[C@H](C)c1cccc(c1)[*:1]
C=CCCCN(C)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 C=CCCC[*:1] C[C@@H](NC(=O)N(C)[*:1])c1cccc(c1)-n1cccn1
C=CCCCN(C)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 C=CCC[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1cccc(c1)-n1cccn1
Cc1onc2c(=O)n(C)nc(C(=O)[O-])c12 O=C([O-])[*:1] Cc1onc2c(=O)n(C)nc(c12)[*:1]
Cc1cc(OC[C@H]2CO2)c(C(C)C)cc1Cl C1O[C@H]1C[*:1] Cc1cc(O[*:1])c(cc1Cl)C(C)C
Cc1cc(OC[C@H]2CO2)c(C(C)C)cc1Cl C1O[C@H]1[*:1] Cc1cc(OC[*:1])c(cc1Cl)C(C)C
Cc1cc(OC[C@H]2CO2)c(C(C)C)cc1Cl CC(C)[*:1] Cc1cc(OC[C@H]2CO2)c(cc1Cl)[*:1]
Cc1cc(OC[C@H]2CO2)c(C(C)C)cc1Cl C1O[C@H]1CO[*:1] Cc1cc(c(cc1Cl)C(C)C)[*:1]
CON(C)C(=O)c1ccccc1SCC(=O)NC(C)C CC(C)[*:1] CON(C)C(=O)c1ccccc1SCC(=O)N[*:1]
CON(C)C(=O)c1ccccc1SCC(=O)NC(C)C CON(C)C(=O)[*:1] CC(C)NC(=O)CSc1ccccc1[*:1]
CON(C)C(=O)c1ccccc1SCC(=O)NC(C)C CC(C)NC(=O)[*:1] CON(C)C(=O)c1ccccc1SC[*:1]
Cc1cnc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cn1 Cc1cnc(cn1)[*:1] O=C(c1ccoc1)N1CCC(CC1)NC(=O)[*:1]
Cc1cnc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cn1 c1cc(co1)[*:1] Cc1cnc(cn1)C(=O)NC1CCN(CC1)C(=O)[*:1]
CCC[NH2+][C@@H](c1cnn(C)c1)[C@H]1CCOC2(CCCC2)C1 Cn1cc(cn1)[*:1] CCC[NH2+][C@@H]([C@H]1CCOC2(CCCC2)C1)[*:1]
CCC[NH2+][C@@H](c1cnn(C)c1)[C@H]1CCOC2(CCCC2)C1 CCC[*:1] Cn1cc(cn1)[C@H]([NH2+][*:1])[C@H]1CCOC2(CCCC2)C1
C#CCN1CCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 c1cnn(c1)C[*:1] C#CCN1CCN(CC1)C(=O)NC[C@@H](C)[*:1]
C#CCN1CCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 C#CC[*:1] C[C@H](CNC(=O)N1CCN(CC1)[*:1])Cn1cccn1
C#CCN1CCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 c1cnn(c1)[*:1] C#CCN1CCN(CC1)C(=O)NC[C@@H](C)C[*:1]
C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](CO)c1cnn(C)c1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)N(C)[*:1])[NH2+][C@@H](CO)c1cnn(C)c1
C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](CO)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](CO)[*:1]
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O O=C([O-])[*:1] O=C(N[C@@H]1CCCN(C1=O)c1ccccc1F)[C@H]1CC=CC[C@@H]1[*:1]
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1CCCN(C1=O)[*:1]
CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1F Fc1ccccc1[*:1] CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)[*:1]
CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1F CCOc1ccccc1[*:1] O=C(Nc1c(oc2ccccc12)C(=O)N[*:1])c1ccccc1F
CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1F O=C(N[*:1])c1ccccc1F CCOc1ccccc1NC(=O)c1oc2ccccc2c1[*:1]
CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1F CCO[*:1] O=C(Nc1c(oc2ccccc12)C(=O)Nc1ccccc1[*:1])c1ccccc1F
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Sc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H](C)S[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Sc2cccc(F)c2)C1 CCOC(=O)[*:1] C[C@H](Sc1cccc(F)c1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)NC3[C@H](C)CCC[C@H]3C)CC2)no1 Cc1cc(no1)[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)NC3[C@H](C)CCC[C@H]3C)CC2)no1 Cc1cc(no1)NC(=O)[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCN(CC1)C[*:1]
Oc1ccc(C2CCN(c3cccc(C(F)(F)F)n3)CC2)cc1 Oc1ccc(cc1)[*:1] FC(F)(F)c1cccc(n1)N1CCC(CC1)[*:1]
Oc1ccc(C2CCN(c3cccc(C(F)(F)F)n3)CC2)cc1 FC(F)(F)[*:1] Oc1ccc(cc1)C1CCN(CC1)c1cccc(n1)[*:1]
CCCc1cc(NC(=O)NC(C)(C)c2ccc(F)c(F)c2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)NC(C)(C)c1ccc(F)c(F)c1)[*:1]
CCCc1cc(NC(=O)NC(C)(C)c2ccc(F)c(F)c2)n(C)n1 Fc1ccc(cc1F)[*:1] CCCc1cc(NC(=O)NC(C)(C)[*:1])n(C)n1
Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@@H](C)[C@@H]1CCCO1
Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1S(C)(=O)=O C1CO[C@@H](C1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[C@@H](C)[*:1]
CC(=O)N1CCc2ccc(NC(=O)c3cc(C)cs3)cc2C1 Cc1csc(c1)[*:1] CC(=O)N1CCc2ccc(cc2C1)NC(=O)[*:1]
CC[C@@H](C)N/C(N)=[NH+]/Cc1cc(Br)ccc1OC CC[C@@H](C)[*:1] COc1ccc(Br)cc1C/[NH+]=C(\N)N[*:1]
CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccncc2)CCC3)cc1 CCO[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccncc3)c21)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccncc2)CCC3)cc1 CCOc1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccncc3)c21)C(=O)N[*:1]
CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccncc2)CCC3)cc1 c1cc(ccn1)[*:1] CCOc1ccc(cc1)NC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
CC(C)(C)n1cc(NCc2cnc(C3CC3)s2)cn1 CC(C)(C)[*:1] c1nn(cc1NCc1cnc(s1)C1CC1)[*:1]
CC(C)(C)n1cc(NCc2cnc(C3CC3)s2)cn1 C1CC1[*:1] CC(C)(C)n1cc(cn1)NCc1cnc(s1)[*:1]
c1ncn(-c2ccc(C[NH+]3CCC(OC4CCOCC4)CC3)cc2)n1 C1CC(CCO1)[*:1] c1ncn(n1)-c1ccc(cc1)C[NH+]1CCC(CC1)O[*:1]
c1ncn(-c2ccc(C[NH+]3CCC(OC4CCOCC4)CC3)cc2)n1 C1CC(CCO1)O[*:1] c1ncn(n1)-c1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
c1ncn(-c2ccc(C[NH+]3CCC(OC4CCOCC4)CC3)cc2)n1 c1ncn(n1)[*:1] c1cc(ccc1C[NH+]1CCC(CC1)OC1CCOCC1)[*:1]
COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)Nc3ccc4c(c3)OCO4)c21 c1cc2OCOc2cc1[*:1] COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)N[*:1])c21
COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)Nc3ccc4c(c3)OCO4)c21 COc1ccccc1[*:1] Cc1nnc(SCC(=O)Nc2ccc3OCOc3c2)c2c1cnn2[*:1]
Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn(c(C)c1Oc1ccc(Cl)cc1)S(=O)(=O)[*:1]
Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn(c(C)c1O[*:1])S(=O)(=O)c1ccc(Cl)cc1
Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Oc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] Cc1nn(c(C)c1[*:1])S(=O)(=O)c1ccc(Cl)cc1
Cc1ccc(CC(=O)NCc2ccnc(-n3cccn3)c2)cn1 c1cnn(c1)[*:1] Cc1ccc(cn1)CC(=O)NCc1ccnc(c1)[*:1]
Cc1ccc(CC(=O)NCc2ccnc(-n3cccn3)c2)cn1 Cc1ccc(cn1)[*:1] O=C(C[*:1])NCc1ccnc(c1)-n1cccn1
CC[C@H](C)[C@H](NC(=O)CCl)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@H](NC(=O)CCl)[*:1]
CC[C@H](C)[C@H](NC(=O)CCl)C(=O)[O-] CC[C@H](C)[*:1] O=C(CCl)N[C@H](C(=O)[O-])[*:1]
CCC(=O)N1CCC([NH2+]CCNC(=O)CC2CCCC2)CC1 C1CCC(C1)C[*:1] CCC(=O)N1CCC(CC1)[NH2+]CCNC(=O)[*:1]
CCC(=O)N1CCC([NH2+]CCNC(=O)CC2CCCC2)CC1 C1CCC(C1)[*:1] CCC(=O)N1CCC(CC1)[NH2+]CCNC(=O)C[*:1]
Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1F
Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1F)[*:1]
Cc1nnc(CSc2ncc(-c3ccccc3)n2-c2ccccc2)o1 Cc1nnc(CS[*:1])o1 c1ccc(cc1)-c1cnc(n1-c1ccccc1)[*:1]
Cc1nnc(CSc2ncc(-c3ccccc3)n2-c2ccccc2)o1 Cc1nnc(o1)[*:1] c1ccc(cc1)-c1cnc(SC[*:1])n1-c1ccccc1
Cc1nnc(CSc2ncc(-c3ccccc3)n2-c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1nnc(CSc2ncc(-c3ccccc3)n2[*:1])o1
Cc1nnc(CSc2ncc(-c3ccccc3)n2-c2ccccc2)o1 Cc1nnc(C[*:1])o1 c1ccc(cc1)-c1cnc(S[*:1])n1-c1ccccc1
Cc1nnc(CSc2ncc(-c3ccccc3)n2-c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1nnc(CSc2ncc(n2-c2ccccc2)[*:1])o1
Cc1ccccc1OCCN(C)C(=O)Nc1ccc(N(C)C)[nH+]c1 CN(C)[*:1] Cc1ccccc1OCCN(C)C(=O)Nc1ccc([nH+]c1)[*:1]
Cc1ccccc1OCCN(C)C(=O)Nc1ccc(N(C)C)[nH+]c1 Cc1ccccc1[*:1] CN(CCO[*:1])C(=O)Nc1ccc([nH+]c1)N(C)C
Cc1ccccc1OCCN(C)C(=O)Nc1ccc(N(C)C)[nH+]c1 Cc1ccccc1O[*:1] CN(CC[*:1])C(=O)Nc1ccc([nH+]c1)N(C)C
C[C@@H](NC(=O)NCCOc1cccnc1)c1cccc(N2CCCC2)c1 c1cncc(c1)OC[*:1] C[C@@H](NC(=O)NC[*:1])c1cccc(c1)N1CCCC1
C[C@@H](NC(=O)NCCOc1cccnc1)c1cccc(N2CCCC2)c1 c1cncc(c1)O[*:1] C[C@@H](NC(=O)NCC[*:1])c1cccc(c1)N1CCCC1
C[C@@H](NC(=O)NCCOc1cccnc1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](NC(=O)NCCOc1cccnc1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)NCCOc1cccnc1)c1cccc(N2CCCC2)c1 c1cncc(c1)[*:1] C[C@@H](NC(=O)NCCO[*:1])c1cccc(c1)N1CCCC1
CCOc1ccc(-n2c(CCC(F)(F)F)n[nH]c2=O)cc1 FC(F)(F)C[*:1] CCOc1ccc(cc1)-n1c(C[*:1])n[nH]c1=O
CCOc1ccc(-n2c(CCC(F)(F)F)n[nH]c2=O)cc1 FC(F)(F)CC[*:1] CCOc1ccc(cc1)-n1c(n[nH]c1=O)[*:1]
CCOc1ccc(-n2c(CCC(F)(F)F)n[nH]c2=O)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)-n1c(CC[*:1])n[nH]c1=O
CCOc1ccc(-n2c(CCC(F)(F)F)n[nH]c2=O)cc1 CCO[*:1] O=c1[nH]nc(CCC(F)(F)F)n1-c1ccc(cc1)[*:1]
Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CC(=O)NC3CCCCC3)c(=O)c12 O=C(C[*:1])NC1CCCCC1 Cc1c(sc2ncn(c(=O)c12)[*:1])-c1nc(no1)-c1ccc(Cl)cc1
Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CC(=O)NC3CCCCC3)c(=O)c12 Clc1ccc(cc1)[*:1] Cc1c(sc2ncn(CC(=O)NC3CCCCC3)c(=O)c12)-c1nc(no1)[*:1]
Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CC(=O)NC3CCCCC3)c(=O)c12 O=C(NC1CCCCC1)[*:1] Cc1c(sc2ncn(C[*:1])c(=O)c12)-c1nc(no1)-c1ccc(Cl)cc1
Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CC(=O)NC3CCCCC3)c(=O)c12 C1CCC(CC1)[*:1] Cc1c(sc2ncn(CC(=O)N[*:1])c(=O)c12)-c1nc(no1)-c1ccc(Cl)cc1
COC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C COC(=O)C[*:1] Cc1ccccc1CN(S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)[*:1]
COC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C Cc1ccccc1C[*:1] COC(=O)CN(S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)[*:1]
COC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C COC(=O)[*:1] Cc1ccccc1CN(C[*:1])S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
COC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C Cc1ccccc1[*:1] COC(=O)CN(C[*:1])S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
C[C@@H](O)c1ccc(F)cc1OC[C@H]1COc2ccccc21 C[C@@H](O)[*:1] Fc1ccc(c(c1)OC[C@H]1COc2ccccc21)[*:1]
C[C@@H](NC(=O)/C=C/c1ccsc1)c1nc2ccccc2[nH]1 C(=C[*:1])c1ccsc1 C[C@@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)/C=C/c1ccsc1)c1nc2ccccc2[nH]1 c1cc(cs1)[*:1] C[C@@H](NC(=O)C=C[*:1])c1nc2ccccc2[nH]1
O=c1oc2ccccc2cc1-c1cnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=c1oc2ccccc2cc1-c1cnc(o1)[*:1]
CCC(O)(CC)CNC(=O)C(=O)Nc1ccc(OC)c(C)c1 CCC(O)(CC)C[*:1] COc1ccc(cc1C)NC(=O)C(=O)N[*:1]
CCC(O)(CC)CNC(=O)C(=O)Nc1ccc(OC)c(C)c1 CCC(O)(CC)[*:1] COc1ccc(cc1C)NC(=O)C(=O)NC[*:1]
COCCO[C@H](C)C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 COCCO[C@H](C)[*:1] Cc1ccc(-c2nnc(NC(=O)[*:1])s2)c(C)c1
COCCO[C@H](C)C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 COCC[*:1] Cc1ccc(-c2nnc(NC(=O)[C@@H](C)O[*:1])s2)c(C)c1
COCCO[C@H](C)C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 COCCO[*:1] Cc1ccc(-c2nnc(NC(=O)[C@@H](C)[*:1])s2)c(C)c1
COCCO[C@H](C)C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 COC[*:1] Cc1ccc(-c2nnc(NC(=O)[C@@H](C)OC[*:1])s2)c(C)c1
Cc1cc(CC(=O)N2CCCc3cc(F)cc(F)c32)no1 Cc1cc(C[*:1])no1 O=C(N1CCCc2cc(F)cc(F)c21)[*:1]
Cc1cc(CC(=O)N2CCCc3cc(F)cc(F)c32)no1 Cc1cc(no1)[*:1] O=C(C[*:1])N1CCCc2cc(F)cc(F)c21
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2ccncc2)n(C2CC2)c1=S C1CC1[*:1] C[C@H]1Cc2cc(ccc2N1Cn1nc(-c2ccncc2)n(c1=S)[*:1])[N+](=O)[O-]
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2ccncc2)n(C2CC2)c1=S c1cc(ccn1)[*:1] C[C@H]1Cc2cc(ccc2N1Cn1nc(n(c1=S)C1CC1)[*:1])[N+](=O)[O-]
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2ccncc2)n(C2CC2)c1=S O=[N+]([O-])[*:1] C[C@H]1Cc2cc(ccc2N1Cn1nc(-c2ccncc2)n(c1=S)C1CC1)[*:1]
CC(=O)Nc1ccc2nc(NC(=O)c3ccncc3Cl)sc2c1 CC(=O)N[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1ccncc1Cl
CC(=O)Nc1ccc2nc(NC(=O)c3ccncc3Cl)sc2c1 Clc1cnccc1[*:1] CC(=O)Nc1ccc2nc(NC(=O)[*:1])sc2c1
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)c1ccccc1C Cc1ccccc1[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)[*:1]
[NH3+]C1(CC(=O)N2CCN3C(=O)NC[C@H]3C2)CCC1 [NH3+]C1(CCC1)C[*:1] O=C1NC[C@H]2CN(CCN12)C(=O)[*:1]
C[C@@H]1CCC[C@](C[NH2+]CC2CC[NH2+]CC2)(N(C)C)C1 CN(C)[*:1] C[C@@H]1CCC[C@](C[NH2+]CC2CC[NH2+]CC2)(C1)[*:1]
C[C@H](NC(=O)Nc1cnn(C)c1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)Nc1cnn(C)c1)[*:1]
O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C=C(c3ccccn3)N=N2)CC1 c1ccc(nc1)[*:1] O=C(c1ccc(Br)cc1)N1CCN(CC1)C(=O)[C@H]1C=C(N=N1)[*:1]
O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C=C(c3ccccn3)N=N2)CC1 Brc1ccc(cc1)[*:1] O=C([C@H]1C=C(N=N1)c1ccccn1)N1CCN(CC1)C(=O)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)c2sccc2OC(F)F)CC1 CC(C)[*:1] N#C[C@H](N1CCN(CC1)C(=O)c1sccc1OC(F)F)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)c2sccc2OC(F)F)CC1 FC(F)O[*:1] CC(C)[C@H](C#N)N1CCN(CC1)C(=O)c1sccc1[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)c2sccc2OC(F)F)CC1 FC(F)[*:1] CC(C)[C@H](C#N)N1CCN(CC1)C(=O)c1sccc1O[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)c2sccc2OC(F)F)CC1 CC(C)[C@H](C#N)[*:1] O=C(c1sccc1OC(F)F)N1CCN(CC1)[*:1]
O=C1O[C@@H](CC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c2ccccc21 Clc1ccc(cc1)[*:1] O=C1O[C@@H](CC(=O)N2CC=C(CC2)[*:1])c2ccccc21
COc1ccc2c(CCNC(=S)Nc3cccc(Cl)c3)c[nH]c2c1 Clc1cccc(c1)[*:1] COc1ccc2c(c[nH]c2c1)CCNC(=S)N[*:1]
C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)[*:1]
COc1ccc(CNC(=O)NCc2sccc2C)c(OC)c1OC Cc1ccsc1[*:1] COc1ccc(CNC(=O)NC[*:1])c(OC)c1OC
COc1ccc(CNC(=O)NCc2sccc2C)c(OC)c1OC Cc1ccsc1C[*:1] COc1ccc(CNC(=O)N[*:1])c(OC)c1OC
Cc1cccc(NC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)c1 Cc1cccc(c1)[*:1] Cc1noc(CNC(=O)C2CCN(CC2)C(=O)N[*:1])n1
Cc1cccc(NC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)c1 Cc1noc(C[*:1])n1 Cc1cccc(c1)NC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)c1 Cc1noc(n1)[*:1] Cc1cccc(c1)NC(=O)N1CCC(CC1)C(=O)NC[*:1]
CCc1ccsc1CNC(=O)NCc1ccccc1CN1CCCC1=O O=C1CCCN1[*:1] CCc1ccsc1CNC(=O)NCc1ccccc1C[*:1]
CCc1ccsc1CNC(=O)NCc1ccccc1CN1CCCC1=O CCc1ccsc1[*:1] O=C(NCc1ccccc1CN1CCCC1=O)NC[*:1]
CCc1ccsc1CNC(=O)NCc1ccccc1CN1CCCC1=O O=C1CCCN1C[*:1] CCc1ccsc1CNC(=O)NCc1ccccc1[*:1]
CCc1ccsc1CNC(=O)NCc1ccccc1CN1CCCC1=O CCc1ccsc1C[*:1] O=C(NCc1ccccc1CN1CCCC1=O)N[*:1]
CCC1=NN2C(=O)C=C(CSc3ncn[nH]3)N[C@@H]2S1 c1n[nH]c(n1)S[*:1] CCC1=NN2C(=O)C=C(C[*:1])N[C@@H]2S1
CCC1=NN2C(=O)C=C(CSc3ncn[nH]3)N[C@@H]2S1 c1n[nH]c(n1)[*:1] CCC1=NN2C(=O)C=C(CS[*:1])N[C@@H]2S1
C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2)C[C@@H](C)O1 c1coc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)CNC(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2)C[C@@H](C)O1 C[C@@H]1CN(C[C@@H](C)O1)C(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])NC[C@@H](c1ccco1)[NH+]1CCCC1
CC(=O)Nc1ccc(F)c(NCc2csc(CCc3ccccc3)n2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(F)c(c1)NCc1csc(CC[*:1])n1
CC(=O)Nc1ccc(F)c(NCc2csc(CCc3ccccc3)n2)c1 CC(=O)N[*:1] Fc1ccc(cc1NCc1csc(CCc2ccccc2)n1)[*:1]
CC(=O)Nc1ccc(F)c(NCc2csc(CCc3ccccc3)n2)c1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(F)c(c1)NCc1csc(C[*:1])n1
CC(=O)Nc1ccc(F)c(NCc2csc(CCc3ccccc3)n2)c1 c1ccc(cc1)CC[*:1] CC(=O)Nc1ccc(F)c(c1)NCc1csc(n1)[*:1]
FC(F)C(F)(F)c1cc(-c2ccc(Cl)cc2)[nH]n1 FC(F)[*:1] FC(F)(c1cc([nH]n1)-c1ccc(Cl)cc1)[*:1]
FC(F)C(F)(F)c1cc(-c2ccc(Cl)cc2)[nH]n1 FC(F)C(F)(F)[*:1] Clc1ccc(cc1)-c1cc(n[nH]1)[*:1]
COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@@H](C)C3)c2)cc1 C[C@@H]1CCCN(C1)C(=O)[*:1] COc1ccc(cc1)N(C)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC[C@@H](C)C3)c2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)[*:1]
C[C@@](NC(=O)c1scnc1C1CC1)(C(N)=O)c1ccccc1 NC(=O)[*:1] C[C@@](NC(=O)c1scnc1C1CC1)(c1ccccc1)[*:1]
C[C@@](NC(=O)c1scnc1C1CC1)(C(N)=O)c1ccccc1 C1CC1[*:1] C[C@@](NC(=O)c1scnc1[*:1])(C(N)=O)c1ccccc1
C[C@@](NC(=O)c1scnc1C1CC1)(C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@](NC(=O)c1scnc1C1CC1)(C(N)=O)[*:1]
Cc1nc(C2(NC(=O)N[C@@H]3CCCc4ccc(F)cc43)CCC2)no1 Cc1nc(no1)[*:1] O=C(N[C@@H]1CCCc2ccc(F)cc21)NC1(CCC1)[*:1]
Cc1cc(Cl)ccc1NC(=O)c1cnc2c(-c3ccc(F)cc3)c(C)nn2c1C Cc1cc(Cl)ccc1[*:1] Cc1nn2c(C)c(cnc2c1-c1ccc(F)cc1)C(=O)N[*:1]
Cc1cc(Cl)ccc1NC(=O)c1cnc2c(-c3ccc(F)cc3)c(C)nn2c1C Fc1ccc(cc1)[*:1] Cc1cc(Cl)ccc1NC(=O)c1cnc2c(c(C)nn2c1C)[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1ccco1 C[S@@](=O)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(c(F)c1)[*:1])c1ccco1
C[C@@H](NC(=O)C(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1ccco1 C[C@@H](c1ccco1)[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)C(=O)N[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(c(F)c1)[S@@](C)=O)[*:1]
COCCNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] COCCNC(=O)Nc1ccc(Cl)c(c1)[*:1]
COCCNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 COC[*:1] O=C(NC[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
COCCNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 COCC[*:1] O=C(Nc1ccc(Cl)c(c1)C(F)(F)F)N[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)NCCCc2c(C)noc2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1noc(C)c1CCCNC(=O)N[C@@H](C)[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)NCCCc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)NCCC[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)NCCCc2c(C)noc2C)c1 Cc1noc(C)c1C[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)NCC[*:1]
CCOc1ccc(N2CCN(CC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1 Clc1ccc(cc1Cl)[*:1] CCOc1ccc(cc1)N1CCN(CC(=O)N2CCN(CC2)[*:1])C1=O
CCOc1ccc(N2CCN(CC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])N1CCN(CC1)c1ccc(Cl)c(Cl)c1
CCOc1ccc(N2CCN(CC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1 CCO[*:1] O=C(CN1CCN(C1=O)c1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(Cl)c(Cl)c1
FC(F)(F)c1nnc2ccc(NCc3cn4ccsc4n3)nn12 FC(F)(F)[*:1] c1cn2cc(CNc3ccc4nnc(n4n3)[*:1])nc2s1
COC(=O)Cn1nnnc1S[C@H]1CCC[C@H](S(C)(=O)=O)C1 COC(=O)C[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)Sc1nnnn1[*:1]
COC(=O)Cn1nnnc1S[C@H]1CCC[C@H](S(C)(=O)=O)C1 COC(=O)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)Sc1nnnn1C[*:1]
COC(=O)Cn1nnnc1S[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] COC(=O)Cn1nnnc1S[C@H]1CCC[C@H](C1)[*:1]
CCC(CC)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cccc([N+](=O)[O-])c1 CCC(CC)[*:1] O=c1[nH]n(c2N=C(O)CS[C@H](c3cccc(c3)[N+](=O)[O-])c21)[*:1]
CCC(CC)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC(CC)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cccc(c1)[*:1]
CC(C)CC(=O)Nc1cccc(CNC(=O)N2CCOCC[C@H]2C)c1 CC(C)[*:1] C[C@@H]1CCOCCN1C(=O)NCc1cccc(c1)NC(=O)C[*:1]
CC(C)CC(=O)Nc1cccc(CNC(=O)N2CCOCC[C@H]2C)c1 CC(C)C[*:1] C[C@@H]1CCOCCN1C(=O)NCc1cccc(c1)NC(=O)[*:1]
CC(C)CC(=O)Nc1cccc(CNC(=O)N2CCOCC[C@H]2C)c1 CC(C)CC(=O)N[*:1] C[C@@H]1CCOCCN1C(=O)NCc1cccc(c1)[*:1]
C[C@@H](Oc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)C(N)=O NC(=O)[*:1] C[C@@H](Oc1ccc(cc1)Oc1cc(ncn1)-n1ccnc1)[*:1]
C[C@@H](Oc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)C(N)=O C[C@@H](C(N)=O)[*:1] c1cn(cn1)-c1cc(ncn1)Oc1ccc(cc1)O[*:1]
C[C@@H](Oc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)C(N)=O C[C@@H](O[*:1])C(N)=O c1cn(cn1)-c1cc(ncn1)Oc1ccc(cc1)[*:1]
C[C@@H](Oc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)C(N)=O c1cn(cn1)[*:1] C[C@@H](Oc1ccc(cc1)Oc1cc(ncn1)[*:1])C(N)=O
C=CCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 C=CCNC(=O)[*:1] O=C(N/C(=C/c1ccc(Cl)cc1)[*:1])c1ccco1
C=CCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 C=CC[*:1] O=C(N[*:1])/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1
C=CCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 Clc1ccc(cc1)[*:1] C=CCNC(=O)C(=C[*:1])NC(=O)c1ccco1
C=CCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 c1coc(c1)[*:1] C=CCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)[*:1]
O=C(C[C@H]1S/C(=N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)NC1=O)c1ccccc1 Clc1ccc(cc1)[*:1] O=C(C[C@H]1S/C(=N/N=C/c2ccc(o2)[*:1])NC1=O)c1ccccc1
O=C(C[C@H]1S/C(=N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)NC1=O)c1ccccc1 O=C(C[*:1])c1ccccc1 O=C1N/C(=N\N=C\c2ccc(o2)-c2ccc(Cl)cc2)S[C@@H]1[*:1]
O=C(C[C@H]1S/C(=N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)NC1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C1N/C(=N\N=C\c2ccc(o2)-c2ccc(Cl)cc2)S[C@@H]1CC(=O)[*:1]
O=C(C[C@H]1S/C(=N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)NC1=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1N/C(=N\N=C\c2ccc(o2)-c2ccc(Cl)cc2)S[C@@H]1C[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCCOc1c(C)cccc1C Cc1cccc(C)c1[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCCO[*:1]
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC1 O=C(N1CCC1)[*:1] CC(C)[C@H](NC(=O)c1ccc(F)cc1)[*:1]
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCC1)[*:1])c1ccc(F)cc1
C[C@H](NC(=O)N1CCC(N2CCNC2=O)CC1)c1ccc(Cl)s1 O=C1NCCN1[*:1] C[C@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)N1CCC(N2CCNC2=O)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)N1CCC(CC1)N1CCNC1=O)[*:1]
CCCCNC(=O)[C@@H](C)[S@@](=O)Cc1cc(C)ccc1C CCC[*:1] Cc1ccc(C)c(c1)C[S@](=O)[C@H](C)C(=O)NC[*:1]
CCCCNC(=O)[C@@H](C)[S@@](=O)Cc1cc(C)ccc1C CCCC[*:1] Cc1ccc(C)c(c1)C[S@](=O)[C@H](C)C(=O)N[*:1]
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)c1ccco1 CC(C)(C)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)N[C@@H](CO)c1ccco1
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] C[C@@H](Oc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Cc2csc(-c3cccs3)n2)C1 c1csc(c1)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)Cc1csc(n1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Cc2csc(-c3cccs3)n2)C1 CC(C)CCO[*:1] O=C(Cc1csc(n1)-c1cccs1)N1CC[C@H](C1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Cc2csc(-c3cccs3)n2)C1 CC(C)C[*:1] O=C(Cc1csc(n1)-c1cccs1)N1CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Cc2csc(-c3cccs3)n2)C1 CC(C)[*:1] O=C(Cc1csc(n1)-c1cccs1)N1CC[C@H](C1)OCC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)Cc2csc(-c3cccs3)n2)C1 CC(C)CC[*:1] O=C(Cc1csc(n1)-c1cccs1)N1CC[C@H](C1)O[*:1]
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)o2)c(Br)c1 C1CO[C@H](C1)C[*:1] Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)N[*:1])o2)c(Br)c1
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)o2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] N#C/C(=C\c1ccc(o1)[*:1])C(=O)NC[C@H]1CCCO1
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)o2)c(Br)c1 C1CO[C@H](C1)[*:1] Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NC[*:1])o2)c(Br)c1
CC(C)(CNC(=O)/C=C/c1ccc2ccccc2n1)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(CNC(=O)/C=C/c1ccc2ccccc2n1)NC(=O)O[*:1]
CC(C)(CNC(=O)/C=C/c1ccc2ccccc2n1)NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] CC(C)(CNC(=O)/C=C/c1ccc2ccccc2n1)[*:1]
Cc1ccc(CCC(=O)N[C@@H](c2ccc(Cl)cc2)c2noc(C)n2)o1 Cc1ccc(o1)[*:1] Cc1nc(no1)[C@@H](NC(=O)CC[*:1])c1ccc(Cl)cc1
Cc1ccc(CCC(=O)N[C@@H](c2ccc(Cl)cc2)c2noc(C)n2)o1 Cc1ccc(CC[*:1])o1 Cc1nc(no1)[C@@H](NC(=O)[*:1])c1ccc(Cl)cc1
Cc1ccc(CCC(=O)N[C@@H](c2ccc(Cl)cc2)c2noc(C)n2)o1 Clc1ccc(cc1)[*:1] Cc1ccc(CCC(=O)N[C@@H](c2noc(C)n2)[*:1])o1
Cc1ccc(CCC(=O)N[C@@H](c2ccc(Cl)cc2)c2noc(C)n2)o1 Cc1ccc(C[*:1])o1 Cc1nc(no1)[C@@H](NC(=O)C[*:1])c1ccc(Cl)cc1
Cc1ccc(CCC(=O)N[C@@H](c2ccc(Cl)cc2)c2noc(C)n2)o1 Cc1nc(no1)[*:1] Cc1ccc(CCC(=O)N[C@@H](c2ccc(Cl)cc2)[*:1])o1
Cc1ccc(CN(C)S(=O)(=O)c2cccc(C(=O)N(C)C)c2)o1 Cc1ccc(o1)[*:1] CN(C)C(=O)c1cccc(c1)S(=O)(=O)N(C)C[*:1]
Cc1ccc(CN(C)S(=O)(=O)c2cccc(C(=O)N(C)C)c2)o1 Cc1ccc(C[*:1])o1 CN(C)C(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
Cc1ccc(CN(C)S(=O)(=O)c2cccc(C(=O)N(C)C)c2)o1 CN(C)C(=O)[*:1] Cc1ccc(CN(C)S(=O)(=O)c2cccc(c2)[*:1])o1
CC(=O)NCc1ccnc(OCc2ccccc2)c1 CC(=O)NC[*:1] c1ccc(cc1)COc1cc(ccn1)[*:1]
CC(=O)NCc1ccnc(OCc2ccccc2)c1 CC(=O)N[*:1] c1ccc(cc1)COc1cc(ccn1)C[*:1]
CC(=O)NCc1ccnc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)NCc1ccnc(c1)OC[*:1]
CCN(C(=O)c1cc(C(C)C)nn1C)[C@H]1CCCC[C@H]1C CC(C)[*:1] CCN(C(=O)c1cc(nn1C)[*:1])[C@H]1CCCC[C@H]1C
CCN(C(=O)c1cc(C(C)C)nn1C)[C@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@@H]1[*:1] CCN(C(=O)c1cc(nn1C)C(C)C)[*:1]
COc1cc(CCNC(=O)c2cc(C)no2)ccc1C Cc1cc(on1)[*:1] COc1cc(ccc1C)CCNC(=O)[*:1]
CCc1c(C(=O)N(C)Cc2cccs2)cnn1-c1cccc(Cl)c1 c1csc(c1)C[*:1] CCc1c(cnn1-c1cccc(Cl)c1)C(=O)N(C)[*:1]
CCc1c(C(=O)N(C)Cc2cccs2)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1c(cnn1[*:1])C(=O)N(C)Cc1cccs1
CCc1c(C(=O)N(C)Cc2cccs2)cnn1-c1cccc(Cl)c1 c1csc(c1)[*:1] CCc1c(cnn1-c1cccc(Cl)c1)C(=O)N(C)C[*:1]
C[C@H](CNC(=O)[C@](C)(O)c1ccccc1)n1nc(-c2cccs2)ccc1=O C[C@](O)(c1ccccc1)[*:1] C[C@H](CNC(=O)[*:1])n1nc(ccc1=O)-c1cccs1
C[C@H](CNC(=O)[C@](C)(O)c1ccccc1)n1nc(-c2cccs2)ccc1=O c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@](C)(O)[*:1])n1nc(ccc1=O)-c1cccs1
C[C@H](CNC(=O)[C@](C)(O)c1ccccc1)n1nc(-c2cccs2)ccc1=O c1csc(c1)[*:1] C[C@H](CNC(=O)[C@](C)(O)c1ccccc1)n1nc(ccc1=O)[*:1]
CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nc1[O-] CC(C)[*:1] C[C@@H](Sc1nnc(-c2ccccc2NC(=O)[*:1])c([O-])n1)C(=O)Nc1ccc(F)cc1F
CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nc1[O-] CC(C)C(=O)N[*:1] C[C@@H](Sc1nnc(-c2ccccc2[*:1])c([O-])n1)C(=O)Nc1ccc(F)cc1F
CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nc1[O-] Fc1ccc(c(F)c1)[*:1] CC(C)C(=O)Nc1ccccc1-c1nnc(nc1[O-])S[C@H](C)C(=O)N[*:1]
CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nc1[O-] O=C(Nc1ccc(F)cc1F)[*:1] CC(C)C(=O)Nc1ccccc1-c1nnc(nc1[O-])S[C@H](C)[*:1]
CCC[C@H]1CN(C(=O)c2cccc(Nc3ccc(C)nn3)c2)CCO1 Cc1ccc(nn1)N[*:1] CCC[C@H]1CN(CCO1)C(=O)c1cccc(c1)[*:1]
CCC[C@H]1CN(C(=O)c2cccc(Nc3ccc(C)nn3)c2)CCO1 Cc1ccc(nn1)[*:1] CCC[C@H]1CN(CCO1)C(=O)c1cccc(c1)N[*:1]
CCC[C@H]1CN(C(=O)c2cccc(Nc3ccc(C)nn3)c2)CCO1 CCC[*:1] Cc1ccc(nn1)Nc1cccc(c1)C(=O)N1CCO[C@H](C1)[*:1]
Cc1cc2ncn(CC(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)c2cc1C c1ccc(cc1)[*:1] Cc1cc2ncn(CC(=O)Nc3ccccc3C(=O)N[C@H](C)[*:1])c2cc1C
Cc1cc2ncn(CC(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)c2cc1C C[C@H](c1ccccc1)[*:1] Cc1cc2ncn(CC(=O)Nc3ccccc3C(=O)N[*:1])c2cc1C
O=[N+]([O-])c1cnc(Cl)nc1NCc1ccccc1 O=[N+]([O-])[*:1] Clc1ncc(c(n1)NCc1ccccc1)[*:1]
O=[N+]([O-])c1cnc(Cl)nc1NCc1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cnc(Cl)nc1NC[*:1]
c1ncn(C2CCN(c3nc(C4CC4)no3)CC2)n1 c1ncn(n1)[*:1] C1CC1c1noc(n1)N1CCC(CC1)[*:1]
c1ncn(C2CCN(c3nc(C4CC4)no3)CC2)n1 C1CC1[*:1] c1ncn(n1)C1CCN(CC1)c1nc(no1)[*:1]
C[C@H]([NH2+][C@H](C)C(C)(C)C)c1cccnc1 CC(C)(C)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1cccnc1
CC[C@H](C)NC(=O)N[C@H](c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)N[C@H](C(F)(F)F)[*:1]
CC[C@H](C)NC(=O)N[C@H](c1ccccc1)C(F)(F)F CC[C@H](C)[*:1] O=C(N[C@H](c1ccccc1)C(F)(F)F)N[*:1]
CC[C@H](C)NC(=O)N[C@H](c1ccccc1)C(F)(F)F FC(F)(F)[*:1] CC[C@H](C)NC(=O)N[C@H](c1ccccc1)[*:1]
CCN(C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)C1CCCC1 NC(=O)[*:1] CCN(C(=O)Cn1nc(c2ccccc2c1=O)[*:1])C1CCCC1
CCN(C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)[*:1]
Cc1ccc2oc(C(=O)N[C@@H]3C=C[C@H](C(=O)[O-])C3)cc2c1 O=C([O-])[*:1] Cc1ccc2oc(cc2c1)C(=O)N[C@@H]1C=C[C@H](C1)[*:1]
CC[NH2+][C@@H](Cc1ccc(CC)s1)[C@@H]1CN(C(C)C)CCO1 CCc1ccc(s1)[*:1] CC[NH2+][C@@H](C[*:1])[C@@H]1CN(CCO1)C(C)C
CC[NH2+][C@@H](Cc1ccc(CC)s1)[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] CC[NH2+][C@@H](Cc1ccc(CC)s1)[C@@H]1CN(CCO1)[*:1]
Cc1ccccc1N(C)C(=O)[C@@H](C[NH3+])CC(C)C CC(C)[*:1] Cc1ccccc1N(C)C(=O)[C@@H](C[NH3+])C[*:1]
Cc1ccccc1N(C)C(=O)[C@@H](C[NH3+])CC(C)C CC(C)C[*:1] Cc1ccccc1N(C)C(=O)[C@@H](C[NH3+])[*:1]
C[C@H]1CCc2c(sc(NC(=O)C[NH+]3CCN(C(=O)c4ccco4)CC3)c2C#N)C1 c1coc(c1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)C[NH+]1CCN(CC1)C(=O)[*:1])c2C#N
CCN(Cc1ccccn1)C(=O)c1cc(C)nc2ccc(OC)cc12 c1ccc(C[*:1])nc1 CCN(C(=O)c1cc(C)nc2ccc(cc12)OC)[*:1]
CCN(Cc1ccccn1)C(=O)c1cc(C)nc2ccc(OC)cc12 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1cc(C)nc2ccc(cc12)OC
Cc1ccc(-c2nc(CCNC(=O)NC[C@H](O)c3cnn(C)c3)co2)cc1 Cn1cc(cn1)[*:1] Cc1ccc(cc1)-c1nc(co1)CCNC(=O)NC[C@H](O)[*:1]
Cc1ccc(-c2nc(CCNC(=O)NC[C@H](O)c3cnn(C)c3)co2)cc1 Cc1ccc(cc1)[*:1] Cn1cc(cn1)[C@@H](O)CNC(=O)NCCc1coc(n1)[*:1]
O=C(CCSc1ccccc1)Nc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(CCS[*:1])Nc1cccc(F)c1
CCCc1cc(NC(=O)NCc2nccn2Cc2ccccc2)n(C)n1 c1ccc(cc1)[*:1] CCCc1cc(NC(=O)NCc2nccn2C[*:1])n(C)n1
CCCc1cc(NC(=O)NCc2nccn2Cc2ccccc2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)NCc1nccn1Cc1ccccc1)[*:1]
CCCc1cc(NC(=O)NCc2nccn2Cc2ccccc2)n(C)n1 c1ccc(cc1)C[*:1] CCCc1cc(NC(=O)NCc2nccn2[*:1])n(C)n1
Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCN(c4ccccc4)C3)cc12 c1ccc(cc1)[*:1] Cc1nn(C)c2ncc(cc12)C[NH2+]C[C@@H]1CCN(C1)[*:1]
Nc1c(C(=O)CSc2ccc(F)c(F)c2)c(=O)[nH]c(=O)n1C1CC1 C1CC1[*:1] Nc1c(C(=O)CSc2ccc(F)c(F)c2)c(=O)[nH]c(=O)n1[*:1]
Nc1c(C(=O)CSc2ccc(F)c(F)c2)c(=O)[nH]c(=O)n1C1CC1 Fc1ccc(cc1F)[*:1] Nc1c(C(=O)CS[*:1])c(=O)[nH]c(=O)n1C1CC1
CS[C@H]1CC[C@H](NC(=O)c2cccnc2OCC(C)C)C1 CC(C)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)c1cccnc1OC[*:1]
CS[C@H]1CC[C@H](NC(=O)c2cccnc2OCC(C)C)C1 CC(C)CO[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)c1cccnc1[*:1]
CS[C@H]1CC[C@H](NC(=O)c2cccnc2OCC(C)C)C1 CC(C)C[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)c1cccnc1O[*:1]
CCN(c1nc(Cl)ncc1Cl)[C@@H](C)COC COC[C@H](C)[*:1] CCN(c1nc(Cl)ncc1Cl)[*:1]
CCN(c1nc(Cl)ncc1Cl)[C@@H](C)COC COC[*:1] CCN(c1nc(Cl)ncc1Cl)[C@@H](C)[*:1]
C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)c1cccs1 O=C(NCC1CC1)[*:1] C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C1)[*:1])c1cccs1
C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)c1cccs1 C1CC1C[*:1] C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C1)C(=O)N[*:1])c1cccs1
C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)c1cccs1 C1CC1[*:1] C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C1)C(=O)NC[*:1])c1cccs1
C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C1)C(=O)NCC1CC1)[*:1]
COC(=O)[C@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)C[C@@H]1CCOc2ccccc21)[*:1]
COC(=O)[C@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)C[C@@H]1CCOc2ccccc21)[*:1]
COc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2C)cc1S(=O)(=O)N1CCCCC1 Cc1cc(Br)ccc1[*:1] COc1ccc(/C=C/C(=O)N[*:1])cc1S(=O)(=O)N1CCCCC1
COc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2C)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2C)cc1[*:1]
CS(=O)(=O)CCC[NH2+]Cc1cc(Br)ccc1F CS(=O)(=O)C[*:1] Fc1ccc(Br)cc1C[NH2+]CC[*:1]
CS(=O)(=O)CCC[NH2+]Cc1cc(Br)ccc1F CS(=O)(=O)[*:1] Fc1ccc(Br)cc1C[NH2+]CCC[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)c1ncccc1C(F)(F)F COC(=O)[*:1] O=C(c1ncccc1C(F)(F)F)N1CCCc2c1cccc2[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] COC(=O)c1cccc2c1CCCN2C(=O)c1ncccc1[*:1]
COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(O)cc2)c1 Oc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)C1=C(C)NC(=O)N[C@H]1[*:1]
O=C(Cc1nc2ncccn2n1)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] O=C(Cc1nc2ncccn2n1)Nc1cccc(c1)[*:1]
O=C(Cc1nc2ncccn2n1)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cc1nc2ncccn2n1)Nc1cccc(c1)O[*:1]
O=c1c2ccccc2n2c(=O)n(Cc3cccc(C(F)(F)F)c3)nc2n1CCc1ccccc1 FC(F)(F)c1cccc(c1)C[*:1] O=c1c2ccccc2n2c(=O)n(nc2n1CCc1ccccc1)[*:1]
O=c1c2ccccc2n2c(=O)n(Cc3cccc(C(F)(F)F)c3)nc2n1CCc1ccccc1 FC(F)(F)[*:1] O=c1c2ccccc2n2c(=O)n(Cc3cccc(c3)[*:1])nc2n1CCc1ccccc1
O=c1c2ccccc2n2c(=O)n(Cc3cccc(C(F)(F)F)c3)nc2n1CCc1ccccc1 c1ccc(cc1)C[*:1] O=c1c2ccccc2n2c(=O)n(Cc3cccc(c3)C(F)(F)F)nc2n1C[*:1]
O=c1c2ccccc2n2c(=O)n(Cc3cccc(C(F)(F)F)c3)nc2n1CCc1ccccc1 FC(F)(F)c1cccc(c1)[*:1] O=c1c2ccccc2n2c(=O)n(C[*:1])nc2n1CCc1ccccc1
O=c1c2ccccc2n2c(=O)n(Cc3cccc(C(F)(F)F)c3)nc2n1CCc1ccccc1 c1ccc(cc1)[*:1] O=c1c2ccccc2n2c(=O)n(Cc3cccc(c3)C(F)(F)F)nc2n1CC[*:1]
O=c1c2ccccc2n2c(=O)n(Cc3cccc(C(F)(F)F)c3)nc2n1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=c1c2ccccc2n2c(=O)n(Cc3cccc(c3)C(F)(F)F)nc2n1[*:1]
C[C@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 c1csc(c1)[*:1] C[C@H](NC(=O)c1cccnc1)[C@@H](N1CCN(CC1)c1ccccc1)[*:1]
C[C@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 O=C(N[*:1])c1cccnc1 C[C@H]([C@@H](c1cccs1)N1CCN(CC1)c1ccccc1)[*:1]
C[C@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)N1CCN(CC1)[*:1]
C[C@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 c1cncc(c1)[*:1] C[C@H](NC(=O)[*:1])[C@@H](c1cccs1)N1CCN(CC1)c1ccccc1
CCc1nnc(-c2cccn2CC(=O)NCc2ccc(C)cc2)o1 CCc1nnc(o1)[*:1] Cc1ccc(cc1)CNC(=O)Cn1cccc1[*:1]
CCc1nnc(-c2cccn2CC(=O)NCc2ccc(C)cc2)o1 Cc1ccc(cc1)[*:1] CCc1nnc(o1)-c1cccn1CC(=O)NC[*:1]
CCc1nnc(-c2cccn2CC(=O)NCc2ccc(C)cc2)o1 Cc1ccc(cc1)C[*:1] CCc1nnc(o1)-c1cccn1CC(=O)N[*:1]
C[C@@H](C(=O)NCCC1=CCCCC1)N1CCN([C@H](C)C(N)=O)CC1 NC(=O)[*:1] C[C@@H](C(=O)NCCC1=CCCCC1)N1CCN(CC1)[C@H](C)[*:1]
C[C@@H](C(=O)NCCC1=CCCCC1)N1CCN([C@H](C)C(N)=O)CC1 C[C@H](C(N)=O)[*:1] C[C@@H](C(=O)NCCC1=CCCCC1)N1CCN(CC1)[*:1]
CCN(Cc1ccoc1)C(=O)/C=C/c1cn(C)c2ccccc12 c1cc(co1)[*:1] CCN(C[*:1])C(=O)/C=C/c1cn(C)c2ccccc12
CCN(Cc1ccoc1)C(=O)/C=C/c1cn(C)c2ccccc12 c1cc(co1)C[*:1] CCN(C(=O)/C=C/c1cn(C)c2ccccc12)[*:1]
Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 CS(=O)(=O)[*:1] Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CC[*:1]
Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 CS(=O)(=O)C[*:1] Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)C[*:1]
Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 Cc1cnc(c(C)c1)[*:1] CS(=O)(=O)CCC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)[*:1]
Cc1cnc(-c2cc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1 CS(=O)(=O)CC[*:1] Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)[*:1]
Cc1nc(N2CCC(C)CC2)ncc1-c1ccnc(N2CC[NH+](C)CC2)n1 CC1CCN(CC1)[*:1] Cc1nc(ncc1-c1ccnc(n1)N1CC[NH+](C)CC1)[*:1]
COCc1cccc(C(=O)N2CCSC(C)(C)C2)c1 COC[*:1] CC1(C)CN(CCS1)C(=O)c1cccc(c1)[*:1]
Cc1cc(NC(=O)c2ccnn2C)n(-c2ccccc2C(F)(F)F)n1 Cn1nccc1[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ccccc1C(F)(F)F
Cc1cc(NC(=O)c2ccnn2C)n(-c2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] Cc1cc(NC(=O)c2ccnn2C)n(n1)-c1ccccc1[*:1]
Cc1cc(NC(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)on1 CC(C)(C)OC(=O)N[*:1] Cc1cc(NC(=O)N2CCC[C@@H](C)[C@H]2C[*:1])on1
Cc1cc(NC(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)on1 CC(C)(C)[*:1] Cc1cc(NC(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)O[*:1])on1
Cc1cc(NC(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)on1 Cc1cc(on1)[*:1] C[C@@H]1CCCN(C(=O)N[*:1])[C@@H]1CNC(=O)OC(C)(C)C
CC(C)[C@@H]([NH3+])Cc1nc([C@H]2CN(C)CCO2)no1 CC(C)[C@@H]([NH3+])C[*:1] CN1CCO[C@H](C1)c1noc(n1)[*:1]
CC(C)[C@@H]([NH3+])Cc1nc([C@H]2CN(C)CCO2)no1 CC(C)[*:1] CN1CCO[C@H](C1)c1noc(C[C@H]([NH3+])[*:1])n1
O=C(/C=C/c1cccc(Cl)c1)OCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(Cl)c1)OCc1cccc(c1)[*:1]
O=C(/C=C/c1cccc(Cl)c1)OCc1cccc([N+](=O)[O-])c1 Clc1cccc(c1)[*:1] O=C(C=C[*:1])OCc1cccc(c1)[N+](=O)[O-]
COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Cl)cc3Cl)C2)cc1 O=C([O-])C[*:1] COc1ccc(cc1)C1C[C@@H](c2ccc(Cl)cc2Cl)N(N=1)C(=O)C[*:1]
COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Cl)cc3Cl)C2)cc1 Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)CCC(=O)[O-])[*:1]
COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Cl)cc3Cl)C2)cc1 COc1ccc(cc1)[*:1] O=C([O-])CCC(=O)N1N=C(C[C@H]1c1ccc(Cl)cc1Cl)[*:1]
COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Cl)cc3Cl)C2)cc1 O=C([O-])[*:1] COc1ccc(cc1)C1C[C@@H](c2ccc(Cl)cc2Cl)N(N=1)C(=O)CC[*:1]
COc1cccc(/C=N/n2c(=S)[nH]nc(C)c2=O)c1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cccc(/C=N/n2c(=S)[nH]nc(C)c2=O)c1O[*:1]
COc1cccc(/C=N/n2c(=S)[nH]nc(C)c2=O)c1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cccc(/C=N/n2c(=S)[nH]nc(C)c2=O)c1[*:1]
COc1cccc(/C=N/n2c(=S)[nH]nc(C)c2=O)c1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cccc(/C=N/n2c(=S)[nH]nc(C)c2=O)c1OC[*:1]
COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1 COc1ccc(C)cc1[*:1] Cc1cc(nc(n1)Nc1ccc(cc1)NS(=O)(=O)[*:1])N1CCCC1
COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1 C1CCN(C1)[*:1] COc1ccc(C)cc1S(=O)(=O)Nc1ccc(cc1)Nc1nc(C)cc(n1)[*:1]
CSc1nc2nnc(-c3ccnc(C(C)C)n3)c(C)n2n1 CC(C)[*:1] CSc1nc2nnc(-c3ccnc(n3)[*:1])c(C)n2n1
N#Cc1ccccc1-c1ccc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)cc1 N#Cc1ccccc1[*:1] O=C1C(=O)N(Cc2ccc(cc2)[*:1])C(=O)N1CCC1=CCCCC1
CC[C@@H](C)N(C)C(=O)N1[C@@H](C(=O)[O-])CC[C@H]2CCCC[C@H]21 CC[C@@H](C)[*:1] CN(C(=O)N1[C@H](CC[C@H]2CCCC[C@H]21)C(=O)[O-])[*:1]
CC[C@@H](C)N(C)C(=O)N1[C@@H](C(=O)[O-])CC[C@H]2CCCC[C@H]21 O=C([O-])[*:1] CC[C@@H](C)N(C)C(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1[*:1]
C[C@@H](O)c1nc2ccc(F)cc2[nH]1 C[C@@H](O)[*:1] Fc1ccc2nc([nH]c2c1)[*:1]
CCCCn1c(SCCC(C)C)n[nH]c1=O CC(C)C[*:1] CCCCn1c(n[nH]c1=O)SC[*:1]
CCCCn1c(SCCC(C)C)n[nH]c1=O CCCC[*:1] CC(C)CCSc1n[nH]c(=O)n1[*:1]
CCCCn1c(SCCC(C)C)n[nH]c1=O CC(C)[*:1] CCCCn1c(n[nH]c1=O)SCC[*:1]
CCCCn1c(SCCC(C)C)n[nH]c1=O CCC[*:1] CC(C)CCSc1n[nH]c(=O)n1C[*:1]
CCCCn1c(SCCC(C)C)n[nH]c1=O CC(C)CC[*:1] CCCCn1c(n[nH]c1=O)S[*:1]
Cc1ccc(CNC[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)s1 Cc1ccc(s1)[*:1] C1CC[C@@H]2CC[C@@H](CNC[*:1])[NH2+][C@H]2C1
Cc1nn(CCC(N)=S)c2nc(-c3ccccc3)ccc12 c1ccc(cc1)[*:1] Cc1nn(CCC(N)=S)c2nc(ccc12)[*:1]
Cc1nn(CCC(N)=S)c2nc(-c3ccccc3)ccc12 NC(=S)[*:1] Cc1nn(CC[*:1])c2nc(ccc12)-c1ccccc1
Cc1nn(CCC(N)=S)c2nc(-c3ccccc3)ccc12 NC(=S)CC[*:1] Cc1nn(c2nc(ccc12)-c1ccccc1)[*:1]
Cc1nn(CCC(N)=S)c2nc(-c3ccccc3)ccc12 NC(=S)C[*:1] Cc1nn(C[*:1])c2nc(ccc12)-c1ccccc1
CCOc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCCn3c(C)nnc32)cc1 CCOc1ccc(cc1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N1CCC[C@H]1[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCCn3c(C)nnc32)cc1 CCO[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
CC(C)[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1CCC[NH+](C)C CC(C)[*:1] C[NH+](C)CCCN1C(=O)[C@H]2CCCN2C(=O)[C@H]1[*:1]
COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc2cc(CN(C(=O)[*:1])c3ccccc3)c(=O)[nH]c2c1
COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)[*:1]
CC(C)n1ncc(C(=O)O[C@@H](C)[C@@H]2CCCO2)c1C1CC1 CC(C)[*:1] C[C@H](OC(=O)c1cnn(c1C1CC1)[*:1])[C@@H]1CCCO1
CC(C)n1ncc(C(=O)O[C@@H](C)[C@@H]2CCCO2)c1C1CC1 C1CO[C@@H](C1)[*:1] CC(C)n1ncc(C(=O)O[C@@H](C)[*:1])c1C1CC1
CC(C)n1ncc(C(=O)O[C@@H](C)[C@@H]2CCCO2)c1C1CC1 C1CC1[*:1] CC(C)n1ncc(C(=O)O[C@@H](C)[C@@H]2CCCO2)c1[*:1]
N#C/C(=C\c1ccc(NC(=O)c2ccc(Cl)nc2)cc1)C(N)=O Clc1ccc(cn1)[*:1] N#C/C(=C\c1ccc(cc1)NC(=O)[*:1])C(N)=O
N#C/C(=C\c1ccc(NC(=O)c2ccc(Cl)nc2)cc1)C(N)=O NC(=O)[*:1] N#CC(=Cc1ccc(cc1)NC(=O)c1ccc(Cl)nc1)[*:1]
N#C/C(=C\c1ccc(NC(=O)c2ccc(Cl)nc2)cc1)C(N)=O N#CC(=C[*:1])C(N)=O O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)nc1
Cc1c(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1c(nnn1-c1cccc(c1)[*:1])C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
COc1cccc(-c2noc(CNc3cc(NC(C)=O)ccc3F)n2)c1 CC(=O)N[*:1] COc1cccc(c1)-c1noc(CNc2cc(ccc2F)[*:1])n1
COc1cccc(-c2noc(CNc3cc(NC(C)=O)ccc3F)n2)c1 COc1cccc(c1)[*:1] CC(=O)Nc1ccc(F)c(c1)NCc1nc(no1)[*:1]
CCCCS(=O)(=O)NC(C)(C)Cc1ccccc1C CCC[*:1] Cc1ccccc1CC(C)(C)NS(=O)(=O)C[*:1]
CCCCS(=O)(=O)NC(C)(C)Cc1ccccc1C CCCC[*:1] Cc1ccccc1CC(C)(C)NS(=O)(=O)[*:1]
Cc1noc(C)c1NC(=O)c1c(-n2cccc2)sc2c1CCSC2 c1ccn(c1)[*:1] Cc1noc(C)c1NC(=O)c1c(sc2CSCCc21)[*:1]
Cc1noc(C)c1NC(=O)c1c(-n2cccc2)sc2c1CCSC2 Cc1noc(C)c1[*:1] O=C(N[*:1])c1c(sc2CSCCc21)-n1cccc1
O=C1C[C@H](C(=O)N2CCCCC[C@H]2c2ccco2)CN1CC(F)(F)F FC(F)(F)C[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCCCC[C@H]1c1ccco1
O=C1C[C@H](C(=O)N2CCCCC[C@H]2c2ccco2)CN1CC(F)(F)F FC(F)(F)[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1CCCCC[C@H]1c1ccco1
O=C1C[C@H](C(=O)N2CCCCC[C@H]2c2ccco2)CN1CC(F)(F)F c1coc(c1)[*:1] O=C1C[C@@H](CN1CC(F)(F)F)C(=O)N1CCCCC[C@@H]1[*:1]
C[NH2+]C[C@@H](c1ccccc1)c1ccc(C)cc1C c1ccc(cc1)[*:1] C[NH2+]C[C@@H](c1ccc(C)cc1C)[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3c(C)noc3C)s2)o1 Cc1ccc(o1)[*:1] Cc1nc(sc1C(=O)N[C@H](C)c1c(C)noc1C)[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3c(C)noc3C)s2)o1 Cc1noc(C)c1[*:1] Cc1ccc(o1)-c1nc(C)c(s1)C(=O)N[C@H](C)[*:1]
C[C@@H]1CCCN(C(=O)NCCSCC(C)(C)O)[C@@H]1C CC(C)(O)[*:1] C[C@@H]1CCCN(C(=O)NCCSC[*:1])[C@@H]1C
C[C@@H]1CCCN(C(=O)NCCSCC(C)(C)O)[C@@H]1C CC(C)(O)CS[*:1] C[C@@H]1CCCN(C(=O)NCC[*:1])[C@@H]1C
C[C@@H]1CCCN(C(=O)NCCSCC(C)(C)O)[C@@H]1C CC(C)(O)C[*:1] C[C@@H]1CCCN(C(=O)NCCS[*:1])[C@@H]1C
Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)Nc1ccc(F)cc1Cl Cc1ccccc1[*:1] Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n1[*:1]
Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)N[*:1]
c1cnc2ccc(CN3CCC[C@@H]3c3ccnc(Nc4nccs4)n3)cc2c1 c1csc(n1)N[*:1] c1cnc2ccc(cc2c1)CN1CCC[C@@H]1c1ccnc(n1)[*:1]
c1cnc2ccc(CN3CCC[C@@H]3c3ccnc(Nc4nccs4)n3)cc2c1 c1csc(n1)[*:1] c1cnc2ccc(cc2c1)CN1CCC[C@@H]1c1ccnc(n1)N[*:1]
COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@H]2CCO3)cc1OC COc1ccc(cc1OC)[*:1] O=C(Nc1ccc2OCC[C@@H]3CCCCN3C(=O)c2c1)N[*:1]
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)CNC(N)=O NC(=O)NC[*:1] Cc1cc(ccc1NC(=O)[*:1])C(=O)N1CCC(C)CC1
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)CNC(N)=O NC(=O)NCC(=O)N[*:1] Cc1cc(ccc1[*:1])C(=O)N1CCC(C)CC1
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)CNC(N)=O NC(=O)N[*:1] Cc1cc(ccc1NC(=O)C[*:1])C(=O)N1CCC(C)CC1
Cc1ccccc1[C@@H]1C[C@H](C)N(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1 CC(C)(C)[*:1] Cc1ccccc1[C@@H]1C[C@H](C)N(C1)c1nc2c(cnn2[*:1])c(=O)[nH]1
Cc1ccccc1[C@@H]1C[C@H](C)N(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1 Cc1ccccc1[*:1] C[C@H]1C[C@H](CN1c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)[*:1]
Cc1nnc(C[NH+](C)Cc2c(C(C)(C)C)nn(-c3ccccc3)c2Cl)n1C c1ccc(cc1)[*:1] Cc1nnc(C[NH+](C)Cc2c(nn(c2Cl)[*:1])C(C)(C)C)n1C
Cc1nnc(C[NH+](C)Cc2c(C(C)(C)C)nn(-c3ccccc3)c2Cl)n1C Cc1nnc(n1C)[*:1] C[NH+](Cc1c(nn(-c2ccccc2)c1Cl)C(C)(C)C)C[*:1]
Cc1nnc(C[NH+](C)Cc2c(C(C)(C)C)nn(-c3ccccc3)c2Cl)n1C CC(C)(C)[*:1] Cc1nnc(C[NH+](C)Cc2c(nn(-c3ccccc3)c2Cl)[*:1])n1C
C[C@H](NC(=O)C1CCC1)c1ccc(Cl)s1 C1CC(C1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(Cl)s1
COc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N(Cc1nc2CCCCCn2n1)C(=O)N[*:1]
COc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccccc1)N(Cc1nc2CCCCCn2n1)[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)CC(C)(C)C CCNC(=O)[*:1] CC(C)(C)CC(=O)Nc1cc(Cl)ccc1[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)CC(C)(C)C CC(C)(C)[*:1] CCNC(=O)c1ccc(Cl)cc1NC(=O)C[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)CC(C)(C)C CC(C)(C)C[*:1] CCNC(=O)c1ccc(Cl)cc1NC(=O)[*:1]
CC(C)[C@H](O)CNS(=O)(=O)CC1CCC1 CC(C)[C@H](O)[*:1] O=S(=O)(CC1CCC1)NC[*:1]
CC(C)[C@H](O)CNS(=O)(=O)CC1CCC1 CC(C)[*:1] O=S(=O)(CC1CCC1)NC[C@@H](O)[*:1]
CC(C)[C@H](O)CNS(=O)(=O)CC1CCC1 C1CC(C1)C[*:1] CC(C)[C@H](O)CNS(=O)(=O)[*:1]
CC(C)[C@H](O)CNS(=O)(=O)CC1CCC1 C1CC(C1)[*:1] CC(C)[C@H](O)CNS(=O)(=O)C[*:1]
CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1ccco1 c1coc(c1)[*:1] CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)[*:1]
CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1ccco1 c1ccc(cc1)[*:1] CC[C@H](Cn1nnn(c1=O)[*:1])NC(=O)c1ccco1
CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 CC[C@H](Cn1nnn(-c2ccccc2)c1=O)[*:1]
O=S(=O)(NC1CCCC1)c1cc(F)ccc1F C1CCC(C1)[*:1] O=S(=O)(N[*:1])c1cc(F)ccc1F
O=C(CCNC(=O)Nc1ccccc1)NNC(=O)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(CCNC(=O)Nc1ccccc1)NNC(=O)[*:1]
O=C(CCNC(=O)Nc1ccccc1)NNC(=O)c1cc(Cl)ccc1Cl c1ccc(cc1)[*:1] O=C(CCNC(=O)N[*:1])NNC(=O)c1cc(Cl)ccc1Cl
CCC(=O)N1CCc2cc(C(=O)Nc3cccc(C)c3)ccc21 Cc1cccc(c1)[*:1] CCC(=O)N1CCc2cc(ccc21)C(=O)N[*:1]
C[C@H](NC[C@H](O)c1ccsc1)c1nc2cc(Cl)ccc2n1C O[C@H](c1ccsc1)[*:1] C[C@H](NC[*:1])c1nc2cc(Cl)ccc2n1C
C[C@H](NC[C@H](O)c1ccsc1)c1nc2cc(Cl)ccc2n1C c1cc(cs1)[*:1] C[C@H](NC[C@H](O)[*:1])c1nc2cc(Cl)ccc2n1C
Cc1cccc2c(=O)n(CCC(=O)NC3(C(N)=O)CCCCC3)cnc12 NC(=O)[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)NC1(CCCCC1)[*:1]
CCCc1ccccc1N[C@H](C)[C@@H](C)C(=O)[O-] CCC[*:1] C[C@@H](Nc1ccccc1[*:1])[C@@H](C)C(=O)[O-]
CCCc1ccccc1N[C@H](C)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] CCCc1ccccc1N[C@H](C)[C@@H](C)[*:1]
Cc1ccncc1NC(=O)NC[C@@H](O)CO OC[C@H](O)C[*:1] Cc1ccncc1NC(=O)N[*:1]
Cc1ccncc1NC(=O)NC[C@@H](O)CO OC[C@H](O)[*:1] Cc1ccncc1NC(=O)NC[*:1]
O=C([O-])[C@@H]1CCCN(c2cnnc([O-])c2Cl)C1 O=C([O-])[*:1] [O-]c1nncc(c1Cl)N1CCC[C@H](C1)[*:1]
Cc1cccc(C=NNC(=O)c2sccc2-n2cccc2)c1 c1ccn(c1)[*:1] Cc1cccc(C=NNC(=O)c2sccc2[*:1])c1
Cc1cccc(C=NNC(=O)c2sccc2-n2cccc2)c1 Cc1cccc(c1)[*:1] O=C(NN=C[*:1])c1sccc1-n1cccc1
CCCCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1=O CCC[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-n1cccc(C(=O)NC[*:1])c1=O
CCCCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1=O Cc1ccc(cc1)C(=O)N[*:1] CCCCNC(=O)c1cccn(-c2ccc(cc2)[*:1])c1=O
CCCCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1=O CCCC[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-n1cccc(C(=O)N[*:1])c1=O
CCCCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1=O CCCCNC(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-n1cccc(c1=O)[*:1]
CCCCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1=O Cc1ccc(cc1)[*:1] CCCCNC(=O)c1cccn(-c2ccc(cc2)NC(=O)[*:1])c1=O
O=C([O-])Cn1c2ccccc2c(=O)c2cc(F)ccc21 O=C([O-])C[*:1] O=c1c2ccccc2n(c2ccc(F)cc12)[*:1]
O=C([O-])Cn1c2ccccc2c(=O)c2cc(F)ccc21 O=C([O-])[*:1] O=c1c2ccccc2n(C[*:1])c2ccc(F)cc12
CCOC(=O)c1c(C[S@](=O)Cc2ccc(Cl)cc2)oc2c(F)c(F)c(F)c(F)c12 Clc1ccc(cc1)[*:1] CCOC(=O)c1c(C[S@](=O)C[*:1])oc2c(F)c(F)c(F)c(F)c12
CCOC(=O)c1c(C[S@](=O)Cc2ccc(Cl)cc2)oc2c(F)c(F)c(F)c(F)c12 CCOC(=O)[*:1] O=[S@](Cc1ccc(Cl)cc1)Cc1oc2c(F)c(F)c(F)c(F)c2c1[*:1]
CCOC(=O)c1c(C[S@](=O)Cc2ccc(Cl)cc2)oc2c(F)c(F)c(F)c(F)c12 Clc1ccc(cc1)C[*:1] CCOC(=O)c1c(C[S@](=O)[*:1])oc2c(F)c(F)c(F)c(F)c12
C[C@H]1CCCN(S(=O)(=O)NCCN2CCN(c3ncccn3)CC2)C1 c1cnc(nc1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)NCCN1CCN(CC1)[*:1]
COc1ccc(-c2nnc(SCCS(C)(=O)=O)n2-c2ccccc2)cc1 CS(=O)(=O)CC[*:1] COc1ccc(cc1)-c1nnc(S[*:1])n1-c1ccccc1
COc1ccc(-c2nnc(SCCS(C)(=O)=O)n2-c2ccccc2)cc1 CS(=O)(=O)C[*:1] COc1ccc(cc1)-c1nnc(SC[*:1])n1-c1ccccc1
COc1ccc(-c2nnc(SCCS(C)(=O)=O)n2-c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nnc(SCCS(C)(=O)=O)n1[*:1]
COc1ccc(-c2nnc(SCCS(C)(=O)=O)n2-c2ccccc2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)CCSc1nnc(n1-c1ccccc1)[*:1]
COc1ccc(-c2nnc(SCCS(C)(=O)=O)n2-c2ccccc2)cc1 CS(=O)(=O)CCS[*:1] COc1ccc(cc1)-c1nnc(n1-c1ccccc1)[*:1]
COc1ccc(-c2nnc(SCCS(C)(=O)=O)n2-c2ccccc2)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)-c1nnc(SCC[*:1])n1-c1ccccc1
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1csc2c1CCCC2 C[S@@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)c1csc2CCCCc12
CCCc1nnc(NC(=O)NCCCn2cnc3ccccc32)s1 CCC[*:1] O=C(NCCCn1cnc2ccccc21)Nc1nnc(s1)[*:1]
CCCc1nnc(NC(=O)NCCCn2cnc3ccccc32)s1 CCCc1nnc(s1)[*:1] O=C(NCCCn1cnc2ccccc21)N[*:1]
N#C[C@@H](C(=O)NC1CC1)c1nc2ccccc2nc1N1CCCCC1 C1CCN(CC1)[*:1] N#C[C@@H](C(=O)NC1CC1)c1nc2ccccc2nc1[*:1]
N#C[C@@H](C(=O)NC1CC1)c1nc2ccccc2nc1N1CCCCC1 C1CC1[*:1] N#C[C@@H](C(=O)N[*:1])c1nc2ccccc2nc1N1CCCCC1
N#C[C@@H](C(=O)NC1CC1)c1nc2ccccc2nc1N1CCCCC1 O=C(NC1CC1)[*:1] N#C[C@@H](c1nc2ccccc2nc1N1CCCCC1)[*:1]
CC(C)c1ccc(CCC(=O)N2CCOC[C@@H]2C2CC2)cc1 CC(C)[*:1] O=C(CCc1ccc(cc1)[*:1])N1CCOC[C@@H]1C1CC1
CC(C)c1ccc(CCC(=O)N2CCOC[C@@H]2C2CC2)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)CCC(=O)N1CCOC[C@H]1[*:1]
C[C@H](c1ccco1)N(C)C(=O)CCC(C)(C)C c1coc(c1)[*:1] C[C@H](N(C)C(=O)CCC(C)(C)C)[*:1]
C[C@H](c1ccco1)N(C)C(=O)CCC(C)(C)C CC(C)(C)[*:1] C[C@H](c1ccco1)N(C)C(=O)CC[*:1]
C[C@H](c1ccco1)N(C)C(=O)CCC(C)(C)C CC(C)(C)C[*:1] C[C@H](c1ccco1)N(C)C(=O)C[*:1]
COc1ccccc1/C=C(/C(=O)NC[C@@]1(O)CCSC1)c1ccccc1 COc1ccccc1[*:1] O=C(NC[C@@]1(O)CCSC1)C(=C[*:1])c1ccccc1
COc1ccccc1/C=C(/C(=O)NC[C@@]1(O)CCSC1)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1/C=C(/C(=O)NC[C@@]1(O)CCSC1)[*:1]
O=C(COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(O[*:1])c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
O=C(COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(OC[*:1])c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
O=C(COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1)NC1CC1 C1CC1[*:1] O=C(COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1[*:1])NC1CC1
O=C(COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1)NC1CC1 C1CC1[*:1] O=C(COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1)N[*:1]
O=C(COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1)NC1CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(COC(=O)c1cnn(c1C1CC1)[*:1])NC1CC1
Cc1c(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)oc2ccccc12 Fc1ccccc1O[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)[C@H](C)[*:1]
Cc1c(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)oc2ccccc12 Fc1ccccc1[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)[C@H](C)O[*:1]
O=C(N/N=C/c1ccccc1)[C@@H]1C=C(c2cccc3ccccc23)N=N1 c1ccc(cc1)[*:1] O=C(NN=C[*:1])[C@@H]1C=C(N=N1)c1cccc2ccccc12
CCOc1ccc(NC(=O)c2cnn3c(=O)c4c([nH]c23)CCC4)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cnn2c(=O)c3CCCc3[nH]c12
COC(C)(C)c1noc([C@H]2CCC[C@@H]2O)n1 COC(C)(C)[*:1] O[C@H]1CCC[C@@H]1c1nc(no1)[*:1]
CC(=O)c1csc(N2C(=O)c3ccccc3C2=O)n1 CC(=O)[*:1] O=C1c2ccccc2C(=O)N1c1nc(cs1)[*:1]
CC(C)(CCl)C(=O)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 CC(C)(CCl)[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
CC(C)(CCl)C(=O)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC(C)(CCl)C(=O)NCCS(=O)(=O)N1CCN(CC1)[*:1]
CC(C)(CCl)C(=O)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 CC(C)(CCl)C(=O)N[*:1] O=S(=O)(CC[*:1])N1CCN(CC1)c1cccc(Cl)c1
Cn1cccc1-c1cc(C(=O)NCc2ccco2)n(-c2ccc([N+](=O)[O-])cc2)n1 c1coc(c1)C[*:1] Cn1cccc1-c1cc(C(=O)N[*:1])n(n1)-c1ccc(cc1)[N+](=O)[O-]
Cn1cccc1-c1cc(C(=O)NCc2ccco2)n(-c2ccc([N+](=O)[O-])cc2)n1 O=C(NCc1ccco1)[*:1] Cn1cccc1-c1cc(n(n1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
Cn1cccc1-c1cc(C(=O)NCc2ccco2)n(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])c1ccc(cc1)[*:1] Cn1cccc1-c1cc(C(=O)NCc2ccco2)n(n1)[*:1]
Cn1cccc1-c1cc(C(=O)NCc2ccco2)n(-c2ccc([N+](=O)[O-])cc2)n1 c1coc(c1)[*:1] Cn1cccc1-c1cc(C(=O)NC[*:1])n(n1)-c1ccc(cc1)[N+](=O)[O-]
Cn1cccc1-c1cc(C(=O)NCc2ccco2)n(-c2ccc([N+](=O)[O-])cc2)n1 Cn1cccc1[*:1] O=C(NCc1ccco1)c1cc(nn1-c1ccc(cc1)[N+](=O)[O-])[*:1]
Cn1cccc1-c1cc(C(=O)NCc2ccco2)n(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cn1cccc1-c1cc(C(=O)NCc2ccco2)n(n1)-c1ccc(cc1)[*:1]
CCc1nc2ccccc2n1C1CCN(c2ccc(C#N)cn2)CC1 N#Cc1ccc(nc1)[*:1] CCc1nc2ccccc2n1C1CCN(CC1)[*:1]
Cn1ccc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1=O Oc1ccc(cc1)C[*:1] Cn1ccc(cc1=O)C[NH+]1CCC(CC1)C[*:1]
Cn1ccc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1=O Oc1ccc(cc1)[*:1] Cn1ccc(cc1=O)C[NH+]1CCC(CC1)CC[*:1]
Cn1ccc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1=O Cn1ccc(cc1=O)[*:1] Oc1ccc(cc1)CCC1CC[NH+](CC1)C[*:1]
O=C([O-])CCNC(=O)CCN1C(=O)c2ccccc2C1=O O=C([O-])[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)NCC[*:1]
O=C([O-])CCNC(=O)CCN1C(=O)c2ccccc2C1=O O=C([O-])C[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)NC[*:1]
O=C([O-])CCNC(=O)CCN1C(=O)c2ccccc2C1=O O=C([O-])CC[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)N[*:1]
Cc1noc(C)c1CC(=O)O[C@H](c1ccccc1)c1nccs1 Cc1noc(C)c1[*:1] O=C(C[*:1])O[C@H](c1ccccc1)c1nccs1
Cc1noc(C)c1CC(=O)O[C@H](c1ccccc1)c1nccs1 c1csc(n1)[*:1] Cc1noc(C)c1CC(=O)O[C@H](c1ccccc1)[*:1]
Cc1noc(C)c1CC(=O)O[C@H](c1ccccc1)c1nccs1 c1ccc(cc1)[*:1] Cc1noc(C)c1CC(=O)O[C@H](c1nccs1)[*:1]
O=C(c1cccnc1)N1C[C@@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2C1 c1cncc(c1)[*:1] O=C1CO[C@H]2CN(C[C@H]2N1Cc1cccnc1)C(=O)[*:1]
O=C(c1cccnc1)N1C[C@@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2C1 c1cncc(c1)[*:1] O=C(c1cccnc1)N1C[C@@H]2OCC(=O)N(C[*:1])[C@@H]2C1
O=C(c1cccnc1)N1C[C@@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2C1 c1cncc(c1)C[*:1] O=C(c1cccnc1)N1C[C@@H]2OCC(=O)N([C@@H]2C1)[*:1]
CC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 Cc1cc(no1)[*:1] CC[C@@H](C(=O)N[*:1])N1CCN(CC1)C1=[NH+]C[C@H](C)S1
COc1cccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c1 COc1cccc(c1)[*:1] Cc1nnc2sc(nn12)-c1ccc(cc1)CNC(=S)NC(=O)[*:1]
COc1cccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c1 Cc1nnc2sc(nn12)[*:1] COc1cccc(c1)C(=O)NC(=S)NCc1ccc(cc1)[*:1]
O=C(NCCc1cccs1)N[C@@H]1CCCC[C@H]1CO c1csc(c1)C[*:1] O=C(NC[*:1])N[C@@H]1CCCC[C@H]1CO
O=C(NCCc1cccs1)N[C@@H]1CCCC[C@H]1CO c1csc(c1)[*:1] O=C(NCC[*:1])N[C@@H]1CCCC[C@H]1CO
O=S(=O)(CCC1CC1)NCc1cccc(CO)c1 C1CC1[*:1] O=S(=O)(CC[*:1])NCc1cccc(c1)CO
O=S(=O)(CCC1CC1)NCc1cccc(CO)c1 C1CC1C[*:1] O=S(=O)(C[*:1])NCc1cccc(c1)CO
O=S(=O)(CCC1CC1)NCc1cccc(CO)c1 C1CC1CC[*:1] O=S(=O)(NCc1cccc(c1)CO)[*:1]
CCc1cc(N2CCC(c3nnc(C[NH+]4CCCC4)n3CC)CC2)ncn1 CCc1cc(ncn1)[*:1] CCn1c(C[NH+]2CCCC2)nnc1C1CCN(CC1)[*:1]
COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COc1ccccc1-c1n[nH]c(=S)n1NC[*:1]
COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(Cl)cc1Cl COc1ccccc1[*:1] S=c1[nH]nc(n1NCc1ccc(Cl)cc1Cl)[*:1]
COc1ccc(Cl)c(NC(=O)C(=O)N2CCN(Cc3cc(C)on3)CC2)c1 Cc1cc(C[*:1])no1 COc1ccc(Cl)c(c1)NC(=O)C(=O)N1CCN(CC1)[*:1]
COc1ccc(Cl)c(NC(=O)C(=O)N2CCN(Cc3cc(C)on3)CC2)c1 COc1ccc(Cl)c(c1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)C(=O)N[*:1])no1
COc1ccc(Cl)c(NC(=O)C(=O)N2CCN(Cc3cc(C)on3)CC2)c1 Cc1cc(no1)[*:1] COc1ccc(Cl)c(c1)NC(=O)C(=O)N1CCN(CC1)C[*:1]
CO/N=C(/C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccco1 CS(=O)(=O)[*:1] CO/N=C(/C(=O)N[C@@H]1CCC[C@@H](C1)[*:1])c1ccco1
CO/N=C(/C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccco1 c1coc(c1)[*:1] CO/N=C(/C(=O)N[C@@H]1CCC[C@H](C1)S(C)(=O)=O)[*:1]
COc1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1 Fc1cccc(Cl)c1[*:1] COc1ccc(cc1)NC(=O)c1ccc(=O)n(c1)C[*:1]
COc1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1 Fc1cccc(Cl)c1C[*:1] COc1ccc(cc1)NC(=O)c1ccc(=O)n(c1)[*:1]
COc1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(=O)n(c1)Cc1c(F)cccc1Cl
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1ccc(s1)[N+](=O)[O-]
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(Nc1nc2ccc(cc2s1)[N+](=O)[O-])c1ccc(s1)[*:1]
CCNC(=O)c1ccc(N[C@H](C)[C@@H]2CCCO2)nc1 C1CO[C@@H](C1)[*:1] CCNC(=O)c1ccc(nc1)N[C@H](C)[*:1]
CCNC(=O)c1ccc(N[C@H](C)[C@@H]2CCCO2)nc1 CCNC(=O)[*:1] C[C@@H](Nc1ccc(cn1)[*:1])[C@@H]1CCCO1
CCCOc1ccccc1C=NNc1nnc2c(n1)[nH]c1c(C)cccc12 CCC[*:1] Cc1cccc2c1[nH]c1nc(nnc12)NN=Cc1ccccc1O[*:1]
CCCOc1ccccc1C=NNc1nnc2c(n1)[nH]c1c(C)cccc12 CCCO[*:1] Cc1cccc2c1[nH]c1nc(nnc12)NN=Cc1ccccc1[*:1]
CC(C)OC[C@@H]1CCC[C@H]([NH3+])C1 CC(C)O[*:1] [NH3+][C@H]1CCC[C@H](C1)C[*:1]
CC(C)OC[C@@H]1CCC[C@H]([NH3+])C1 CC(C)[*:1] [NH3+][C@H]1CCC[C@@H](CO[*:1])C1
COC(=O)C(Sc1ccc(O)c(C)c1)(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] COC(=O)C(Sc1ccc(O)c(C)c1)(C(F)(F)F)[*:1]
COC(=O)C(Sc1ccc(O)c(C)c1)(C(F)(F)F)C(F)(F)F COC(=O)[*:1] Cc1cc(ccc1O)SC(C(F)(F)F)(C(F)(F)F)[*:1]
O=C(CSc1nnc(C2CC2)s1)N1CCC[C@H]2CCCC[C@H]21 C1CC1[*:1] O=C(CSc1nnc(s1)[*:1])N1CCC[C@H]2CCCC[C@H]21
Cn1cccc1C(=O)OCc1nnc(-c2ccc(Br)o2)o1 Brc1ccc(o1)[*:1] Cn1cccc1C(=O)OCc1nnc(o1)[*:1]
Cn1cccc1C(=O)OCc1nnc(-c2ccc(Br)o2)o1 Cn1cccc1[*:1] O=C(OCc1nnc(o1)-c1ccc(Br)o1)[*:1]
O=C(/C=C/c1ccc(C(F)(F)F)cc1)O[C@@H]1CCCC1=O FC(F)(F)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])O[C@@H]1CCCC1=O
O=C(CNCC(F)(F)F)N(Cc1cccc(O)c1)C1CC1 FC(F)(F)C[*:1] O=C(CN[*:1])N(Cc1cccc(O)c1)C1CC1
O=C(CNCC(F)(F)F)N(Cc1cccc(O)c1)C1CC1 C1CC1[*:1] O=C(CNCC(F)(F)F)N(Cc1cccc(O)c1)[*:1]
O=C(CNCC(F)(F)F)N(Cc1cccc(O)c1)C1CC1 Oc1cccc(c1)[*:1] O=C(CNCC(F)(F)F)N(C[*:1])C1CC1
O=C(CNCC(F)(F)F)N(Cc1cccc(O)c1)C1CC1 FC(F)(F)[*:1] O=C(CNC[*:1])N(Cc1cccc(O)c1)C1CC1
O=C(CNCC(F)(F)F)N(Cc1cccc(O)c1)C1CC1 FC(F)(F)CNC[*:1] O=C(N(Cc1cccc(O)c1)C1CC1)[*:1]
O=C(CNCC(F)(F)F)N(Cc1cccc(O)c1)C1CC1 FC(F)(F)CN[*:1] O=C(C[*:1])N(Cc1cccc(O)c1)C1CC1
CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nnc(N4CCC(C)CC4)n3Cc3ccco3)ccc21 CC1CCN(CC1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)[C@@H](C)Sc1nnc(n1Cc1ccco1)[*:1]
CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nnc(N4CCC(C)CC4)n3Cc3ccco3)ccc21 c1coc(c1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)[C@@H](C)Sc1nnc(N2CCC(C)CC2)n1C[*:1]
CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nnc(N4CCC(C)CC4)n3Cc3ccco3)ccc21 c1coc(c1)C[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)[C@@H](C)Sc1nnc(N2CCC(C)CC2)n1[*:1]
CCC[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 CCC[*:1] O=C(NNC(=O)[C@@H](c1ccccc1)[*:1])[C@@H]1COc2ccccc2O1
CCC[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)[*:1]
C#Cc1cccc(NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)c1 COC[*:1] C#Cc1cccc(c1)NC(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
C#Cc1cccc(NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] C#Cc1cccc(c1)NC(=O)N[C@@H](COC)[*:1]
C#Cc1cccc(NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)c1 C#Cc1cccc(c1)[*:1] COC[C@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
CCC(=O)N[C@@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 CCC(=O)N[*:1] O=C(c1c(Cl)cccc1Cl)N1CCC[C@H](C1)[*:1]
O=[N+]([O-])c1c(NNc2ccccc2)ncnc1Nc1ccc(F)cc1F c1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1Nc1ccc(F)cc1F)NN[*:1]
O=[N+]([O-])c1c(NNc2ccccc2)ncnc1Nc1ccc(F)cc1F O=[N+]([O-])[*:1] Fc1ccc(Nc2ncnc(NNc3ccccc3)c2[*:1])c(F)c1
O=[N+]([O-])c1c(NNc2ccccc2)ncnc1Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NNc1ccccc1
O=[N+]([O-])c1c(NNc2ccccc2)ncnc1Nc1ccc(F)cc1F c1ccc(cc1)NN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccc(F)cc1F
CSC[C@@H](C)NC(=O)N1CCC[C@@H](COc2ccccc2)C1 c1ccc(cc1)[*:1] CSC[C@@H](C)NC(=O)N1CCC[C@@H](CO[*:1])C1
CSC[C@@H](C)NC(=O)N1CCC[C@@H](COc2ccccc2)C1 c1ccc(cc1)O[*:1] CSC[C@@H](C)NC(=O)N1CCC[C@H](C1)C[*:1]
CSC[C@@H](C)NC(=O)N1CCC[C@@H](COc2ccccc2)C1 CSC[*:1] C[C@@H](NC(=O)N1CCC[C@@H](COc2ccccc2)C1)[*:1]
CSC[C@@H](C)NC(=O)N1CCC[C@@H](COc2ccccc2)C1 CSC[C@@H](C)[*:1] O=C(N[*:1])N1CCC[C@@H](COc2ccccc2)C1
C#CCNC(=O)C1CCN(S(C)(=O)=O)CC1 C#CC[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccc([N+](=O)[O-])c3)CCC4)c2n1 Cc1ccc2cccc(c2n1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3cccc(c3)[N+](=O)[O-])c21)C(=O)O[*:1]
Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccc([N+](=O)[O-])c3)CCC4)c2n1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc2cccc(OC(=O)c3oc4CCC/C(=N\NC(=O)[*:1])c4c3C)c2n1
Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccc([N+](=O)[O-])c3)CCC4)c2n1 O=[N+]([O-])[*:1] Cc1ccc2cccc(OC(=O)c3oc4CCC/C(=N\NC(=O)c5cccc(c5)[*:1])c4c3C)c2n1
C[C@H]1CCC[C@@H](NC(=O)CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C O=[N+]([O-])[*:1] C[C@H]1CCC[C@@H](NC(=O)CCOc2ccc(cc2)[*:1])[C@@H]1C
CCN(C(C)=O)[C@@H](c1cccnc1)c1cc(C)cc(C)c1 c1cncc(c1)[*:1] CCN(C(C)=O)[C@@H](c1cc(C)cc(C)c1)[*:1]
CCN(C(C)=O)[C@@H](c1cccnc1)c1cc(C)cc(C)c1 CCN(C(C)=O)[*:1] Cc1cc(C)cc(c1)[C@H](c1cccnc1)[*:1]
C[C@@H](Cc1ccccc1F)NC(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@@H](Cc1ccccc1F)NC(=O)N[*:1]
C[C@@H](Cc1ccccc1F)NC(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccccc1F
COc1cccc(C(=O)Nc2ccc3c(c2)/C(=[N+](\C)C(C)C)Nc2ccccc2O3)c1 COc1cccc(c1)[*:1] CC(C)/[N+](C)=C1\Nc2ccccc2Oc2ccc(cc21)NC(=O)[*:1]
COc1cccc(C(=O)Nc2ccc3c(c2)/C(=[N+](\C)C(C)C)Nc2ccccc2O3)c1 CC(C)[*:1] COc1cccc(c1)C(=O)Nc1ccc2Oc3ccccc3NC(c2c1)=[N+](C)[*:1]
Cc1ccccc1[C@@H]1CCCN1C(=O)/C=C/c1cnc2ccccc2n1 Cc1ccccc1[*:1] O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@H]1[*:1]
COc1ccc(N2CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])Nc1ccc(cc1)C(F)(F)F
COc1ccc(N2CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1 FC(F)(F)[*:1] COc1ccc(cc1)N1CCN(CC(=O)Nc2ccc(cc2)[*:1])C1=O
Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2cncc3ccccc23)c1C NS(=O)(=O)[*:1] Cc1cc(cc(C(=O)Nc2cncc3ccccc23)c1C)[*:1]
Cc1cccc(C)c1OCCC(=O)NNC(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1cccc(C)c1OCCC(=O)NNC(=O)[*:1]
Cc1cccc(C)c1OCCC(=O)NNC(=O)c1ccc(C#N)cc1 Cc1cccc(C)c1[*:1] N#Cc1ccc(cc1)C(=O)NNC(=O)CCO[*:1]
CCCOc1ccc(NC(=O)N(CC)Cc2cccs2)c(C)c1 c1csc(c1)[*:1] CCCOc1ccc(NC(=O)N(CC)C[*:1])c(C)c1
CCCOc1ccc(NC(=O)N(CC)Cc2cccs2)c(C)c1 c1csc(c1)C[*:1] CCCOc1ccc(NC(=O)N(CC)[*:1])c(C)c1
CCCOc1ccc(NC(=O)N(CC)Cc2cccs2)c(C)c1 CCCO[*:1] CCN(Cc1cccs1)C(=O)Nc1ccc(cc1C)[*:1]
CCCOc1ccc(NC(=O)N(CC)Cc2cccs2)c(C)c1 CCC[*:1] CCN(Cc1cccs1)C(=O)Nc1ccc(cc1C)O[*:1]
CC(=O)Nc1ccc(NC(=O)CN2CCOC[C@H]2C#N)cc1 CC(=O)N[*:1] N#C[C@@H]1COCCN1CC(=O)Nc1ccc(cc1)[*:1]
CCC(C)(C)NC(=O)[C@@H](Sc1ccccc1OC)C(C)C CC(C)[*:1] CCC(C)(C)NC(=O)[C@@H](Sc1ccccc1OC)[*:1]
CCC(C)(C)NC(=O)[C@@H](Sc1ccccc1OC)C(C)C CCC(C)(C)[*:1] COc1ccccc1S[C@H](C(=O)N[*:1])C(C)C
CC(C)(C)[C@@H](NS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@@H](NS(=O)(=O)c1cccc(c1)C(N)=O)[*:1]
CC(C)(C)[C@@H](NS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1 CC(C)(C)[*:1] NC(=O)c1cccc(c1)S(=O)(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)(C)[C@@H](NS(=O)(=O)c1cccc(C(N)=O)c1)c1ccccc1 NC(=O)[*:1] CC(C)(C)[C@@H](NS(=O)(=O)c1cccc(c1)[*:1])c1ccccc1
C=CCNC(=O)NC(=O)CS[C@@H](C)C(C)=O CC(=O)[C@H](C)[*:1] C=CCNC(=O)NC(=O)CS[*:1]
C=CCNC(=O)NC(=O)CS[C@@H](C)C(C)=O CC(=O)[*:1] C=CCNC(=O)NC(=O)CS[C@@H](C)[*:1]
C=CCNC(=O)NC(=O)CS[C@@H](C)C(C)=O C=CC[*:1] CC(=O)[C@H](C)SCC(=O)NC(=O)N[*:1]
O=C(COCC1CC1)N1CCCCC[C@@H]1c1ccccc1 C1CC1[*:1] O=C(COC[*:1])N1CCCCC[C@@H]1c1ccccc1
O=C(COCC1CC1)N1CCCCC[C@@H]1c1ccccc1 C1CC1COC[*:1] O=C(N1CCCCC[C@@H]1c1ccccc1)[*:1]
O=C(COCC1CC1)N1CCCCC[C@@H]1c1ccccc1 C1CC1C[*:1] O=C(CO[*:1])N1CCCCC[C@@H]1c1ccccc1
O=C(COCC1CC1)N1CCCCC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(COCC1CC1)N1CCCCC[C@H]1[*:1]
O=C(COCC1CC1)N1CCCCC[C@@H]1c1ccccc1 C1CC1CO[*:1] O=C(C[*:1])N1CCCCC[C@@H]1c1ccccc1
CS[C@@H]1CCC[C@H]1N(C)C(=O)c1cc(S(N)(=O)=O)c(C)o1 NS(=O)(=O)[*:1] CS[C@@H]1CCC[C@H]1N(C)C(=O)c1cc(c(C)o1)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C)c(F)c1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)NCc1ccc(C)c(F)c1
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C)c(F)c1 Cc1ccc(cc1F)C[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C)c(F)c1 CC(=O)N[*:1] Cc1ccc(cc1F)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
Cc1ccccc1OC(=O)n1c(=S)oc2cc(Cl)ccc21 Cc1ccccc1[*:1] O=C(O[*:1])n1c(=S)oc2cc(Cl)ccc21
CCn1nc(C)c(CNC(=O)NNC(=O)CC2CCCCC2)c1C C1CCC(CC1)[*:1] CCn1nc(C)c(CNC(=O)NNC(=O)C[*:1])c1C
CCn1nc(C)c(CNC(=O)NNC(=O)CC2CCCCC2)c1C C1CCC(CC1)C[*:1] CCn1nc(C)c(CNC(=O)NNC(=O)[*:1])c1C
O=C(NCCNc1cnc2ccccc2n1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(NCCNc1cnc2ccccc2n1)[*:1]
CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 CCOC(=O)[*:1] O=C(N[C@H](C[*:1])c1ccc(F)cc1)[C@@H]1CCCO1
CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCCO1)[*:1]
CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 CCOC(=O)C[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])[C@@H]1CCCO1
CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 C1CO[C@@H](C1)[*:1] CCOC(=O)C[C@@H](NC(=O)[*:1])c1ccc(F)cc1
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1ccc2ccccc2n1 O=[N+]([O-])[*:1] O=C1c2cccc(c2C(=O)N1Cc1ccc2ccccc2n1)[*:1]
CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(C(N)=O)CC1 Clc1ccccc1[*:1] CC[C@@H](O[*:1])C(=O)N1CCC(CC1)C(N)=O
CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(CC1)[*:1]
C#CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C#CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1cccc(c1)[*:1]
C#CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 C#CC[*:1] C[C@@H](NC(=O)N(C[C@@H]1CCCO1)[*:1])c1cccc(c1)[N+](=O)[O-]
C#CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 C1CO[C@@H](C1)[*:1] C#CCN(C[*:1])C(=O)N[C@H](C)c1cccc(c1)[N+](=O)[O-]
C#CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 C1CO[C@@H](C1)C[*:1] C#CCN(C(=O)N[C@H](C)c1cccc(c1)[N+](=O)[O-])[*:1]
C/C(=N/OCC(=O)N/N=C/c1ccco1)c1cccs1 c1coc(c1)[*:1] C/C(=N/OCC(=O)NN=C[*:1])c1cccs1
C/C(=N/OCC(=O)N/N=C/c1ccco1)c1cccs1 c1csc(c1)[*:1] CC(=NOCC(=O)N/N=C/c1ccco1)[*:1]
COCc1cc(NCCc2c[nH]c3ccccc23)ncn1 COC[*:1] c1ccc2c(c[nH]c2c1)CCNc1cc(ncn1)[*:1]
CCc1cccc(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c1 CCc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)[C@@H](C)SCC(=O)N[*:1]
CCc1cccc(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c1 Cc1cc(no1)[*:1] CCc1cccc(c1)NC(=O)CS[C@H](C)C(=O)N[*:1]
CN(Cc1cc(Br)cs1)C[C@H]1CCCC(C)(C)[C@@H]1[NH3+] Brc1csc(c1)[*:1] CN(C[C@H]1CCCC(C)(C)[C@@H]1[NH3+])C[*:1]
O=C(/C=C/c1cccs1)NCC(=O)N1CCCC1 c1csc(c1)[*:1] O=C(C=C[*:1])NCC(=O)N1CCCC1
CSc1nc(C)c(CCC(=O)NC[C@@H]2CCCO2)c(=O)[nH]1 C1CO[C@@H](C1)C[*:1] CSc1nc(C)c(CCC(=O)N[*:1])c(=O)[nH]1
CSc1nc(C)c(CCC(=O)NC[C@@H]2CCCO2)c(=O)[nH]1 C1CO[C@@H](C1)[*:1] CSc1nc(C)c(CCC(=O)NC[*:1])c(=O)[nH]1
C=C(C)CN(CC)C(=O)Cn1cnc2c(cnn2-c2ccccc2C)c1=O C=C(C)C[*:1] CCN(C(=O)Cn1cnc2c(cnn2-c2ccccc2C)c1=O)[*:1]
C=C(C)CN(CC)C(=O)Cn1cnc2c(cnn2-c2ccccc2C)c1=O C=C(C)CN(CC)C(=O)[*:1] Cc1ccccc1-n1ncc2c(=O)n(cnc21)C[*:1]
C=C(C)CN(CC)C(=O)Cn1cnc2c(cnn2-c2ccccc2C)c1=O C=C(C)[*:1] CCN(C[*:1])C(=O)Cn1cnc2c(cnn2-c2ccccc2C)c1=O
C=C(C)CN(CC)C(=O)Cn1cnc2c(cnn2-c2ccccc2C)c1=O Cc1ccccc1[*:1] C=C(C)CN(CC)C(=O)Cn1cnc2c(cnn2[*:1])c1=O
CCN(CC(C)(C)O)C(=O)Nc1ccn(CCc2ccncc2)n1 c1cc(ccn1)CC[*:1] CCN(CC(C)(C)O)C(=O)Nc1ccn(n1)[*:1]
CCN(CC(C)(C)O)C(=O)Nc1ccn(CCc2ccncc2)n1 c1cc(ccn1)C[*:1] CCN(CC(C)(C)O)C(=O)Nc1ccn(C[*:1])n1
CCN(CC(C)(C)O)C(=O)Nc1ccn(CCc2ccncc2)n1 c1cc(ccn1)[*:1] CCN(CC(C)(C)O)C(=O)Nc1ccn(CC[*:1])n1
CCN(CC(C)(C)O)C(=O)Nc1ccn(CCc2ccncc2)n1 CC(C)(O)C[*:1] CCN(C(=O)Nc1ccn(CCc2ccncc2)n1)[*:1]
CCN(CC(C)(C)O)C(=O)Nc1ccn(CCc2ccncc2)n1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)Nc1ccn(CCc2ccncc2)n1
CC(C)C[C@H]1C[NH2+]CCC12CCCCCC2 CC(C)C[*:1] C1CCCC2(CC1)CC[NH2+]C[C@@H]2[*:1]
CC(C)C[C@H]1C[NH2+]CCC12CCCCCC2 CC(C)[*:1] C1CCCC2(CC1)CC[NH2+]C[C@@H]2C[*:1]
COc1ccc([C@@H](NC(=O)c2cnc(C(C)(C)C)nc2)c2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1cnc(nc1)C(C)(C)C)[*:1]
COc1ccc([C@@H](NC(=O)c2cnc(C(C)(C)C)nc2)c2ccncc2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)c1ncc(cn1)C(=O)N[C@@H](c1ccncc1)[*:1]
COc1ccc([C@@H](NC(=O)c2cnc(C(C)(C)C)nc2)c2ccncc2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1cnc(nc1)[*:1])c1ccncc1
COC[C@H](C)NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O COC[*:1] C[C@H](NC(=O)N[C@@H]1CCN(C1=O)c1c(F)cccc1F)[*:1]
COC[C@H](C)NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O COC[C@H](C)[*:1] O=C(N[C@@H]1CCN(C1=O)c1c(F)cccc1F)N[*:1]
COc1ccc([C@H]2[C@@H]3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H]1[C@@H]2C(=O)C[C@H](CC2=Nc2ccccc2N1C(=O)[*:1])c1ccco1
COc1ccc([C@H]2[C@@H]3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@H]1[C@@H]2C(=O)C[C@@H](CC2=Nc2ccccc2N1C(=O)C(F)(F)F)[*:1]
COc1ccc([C@H]2[C@@H]3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 COc1ccc(cc1)[*:1] O=C1C[C@H](CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H]([C@H]12)[*:1])c1ccco1
NC(=O)c1c(Cl)cccc1NCC(=O)N1CCC[C@H]2CCCC[C@H]21 NC(=O)[*:1] O=C(CNc1cccc(Cl)c1[*:1])N1CCC[C@H]2CCCC[C@H]21
O=C(Nc1nc(Cc2nc(-c3cccs3)no2)cs1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1nc(cs1)Cc1nc(no1)-c1cccs1)[*:1]
O=C(Nc1nc(Cc2nc(-c3cccs3)no2)cs1)C1CCCCC1 c1csc(c1)[*:1] O=C(Nc1nc(cs1)Cc1nc(no1)[*:1])C1CCCCC1
O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 FC(F)(F)[*:1] O=C(Cc1cccc(c1)[*:1])NNC(=O)CC12CC3CC(CC(C3)C1)C2
CCCn1c(C[C@H](O)c2ccc(C)s2)nc2ccccc21 CCC[*:1] Cc1ccc(s1)[C@@H](O)Cc1nc2ccccc2n1[*:1]
CCCn1c(C[C@H](O)c2ccc(C)s2)nc2ccccc21 Cc1ccc(s1)[*:1] CCCn1c(C[C@H](O)[*:1])nc2ccccc21
N#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccsc3)CC2)cc1 c1cc(cs1)[*:1] N#Cc1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
N#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccsc3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccsc1
C[C@@H](O)[C@@H](C)SCCOc1c(Cl)cccc1Cl C[C@@H](O)[*:1] C[C@@H](SCCOc1c(Cl)cccc1Cl)[*:1]
C/C(=N/Nc1nc(Cl)c(C#N)c(Cl)c1Cl)c1ccccn1 c1ccc(nc1)[*:1] CC(=NNc1nc(Cl)c(C#N)c(Cl)c1Cl)[*:1]
Cc1ccc([S@@](=O)CC(=O)N[C@H](C)c2ccccc2)nc1 Cc1ccc(nc1)[*:1] C[C@@H](NC(=O)C[S@](=O)[*:1])c1ccccc1
Cc1ccc([S@@](=O)CC(=O)N[C@H](C)c2ccccc2)nc1 c1ccc(cc1)[*:1] Cc1ccc(nc1)[S@@](=O)CC(=O)N[C@H](C)[*:1]
C[NH2+]C[C@H](C)C(=O)NCC#N N#CC[*:1] C[NH2+]C[C@H](C)C(=O)N[*:1]
N#Cc1ccc(CSC[C@@H](O)CO)c(F)c1 OC[C@H](O)[*:1] N#Cc1ccc(CSC[*:1])c(F)c1
N#Cc1ccc(CSC[C@@H](O)CO)c(F)c1 OC[C@H](O)C[*:1] N#Cc1ccc(CS[*:1])c(F)c1
CCN1CCN(CC(=O)O[C@@H](C)c2ccc(Cl)cc2)C(=O)C1=O Clc1ccc(cc1)[*:1] CCN1CCN(CC(=O)O[C@@H](C)[*:1])C(=O)C1=O
COCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 CN(C)[*:1] COCC(=O)N1CCCC[C@@H]1c1nc(ncc1-c1cc(C)no1)[*:1]
COCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 COC[*:1] Cc1cc(on1)-c1cnc(nc1[C@H]1CCCCN1C(=O)[*:1])N(C)C
COCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 Cc1cc(on1)[*:1] COCC(=O)N1CCCC[C@@H]1c1nc(ncc1[*:1])N(C)C
CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(C)c(C)c1 CNC(=O)[C@H](C)[*:1] Cc1ccc(cc1C)NC(=O)N(C)C[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc(C)c(C)c1 CNC(=O)[*:1] Cc1ccc(cc1C)NC(=O)N(C)C[C@@H](C)[*:1]
Cc1cc(NC(=O)Nc2cnn(C(C)(C)C)c2)c2ncccc2c1 CC(C)(C)[*:1] Cc1cc(NC(=O)Nc2cnn(c2)[*:1])c2ncccc2c1
CCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)c1 CCn1cnc(c1)[*:1] COc1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)c1 COc1ccccc1[*:1] CCn1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc2O1 CCCC[*:1] C[C@H]([NH2+][*:1])[C@@H]1COc2ccccc2O1
CCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc2O1 CCC[*:1] C[C@H]([NH2+]C[*:1])[C@@H]1COc2ccccc2O1
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)N[*:1]
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 Clc1ccc(cc1)[*:1] O=C(CS(=O)(=O)C[*:1])Nc1ccc(Br)cc1
O=C1OCCN1CC[NH2+]C1CCN(c2cccc(N3CCNC3=O)c2)CC1 O=C1NCCN1[*:1] O=C1OCCN1CC[NH2+]C1CCN(CC1)c1cccc(c1)[*:1]
O=C1OCCN1CC[NH2+]C1CCN(c2cccc(N3CCNC3=O)c2)CC1 O=C1OCCN1C[*:1] O=C1NCCN1c1cccc(c1)N1CCC(CC1)[NH2+]C[*:1]
O=C1OCCN1CC[NH2+]C1CCN(c2cccc(N3CCNC3=O)c2)CC1 O=C1OCCN1[*:1] O=C1NCCN1c1cccc(c1)N1CCC(CC1)[NH2+]CC[*:1]
CC(C)C(=O)NCCNC(=O)C1=Cc2ccccc2OC1 CC(C)C(=O)N[*:1] O=C(NCC[*:1])C1=Cc2ccccc2OC1
CC(C)C(=O)NCCNC(=O)C1=Cc2ccccc2OC1 CC(C)[*:1] O=C(NCCNC(=O)[*:1])C1=Cc2ccccc2OC1
CC(C)C(=O)NCCNC(=O)C1=Cc2ccccc2OC1 CC(C)C(=O)NC[*:1] O=C(NC[*:1])C1=Cc2ccccc2OC1
Cc1ccc(N2CC[C@@H](C(=O)NCCC(=O)OC(C)C)C2=O)cc1 CC(C)OC(=O)C[*:1] Cc1ccc(cc1)N1CC[C@@H](C(=O)NC[*:1])C1=O
Cc1ccc(N2CC[C@@H](C(=O)NCCC(=O)OC(C)C)C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)N1CC[C@@H](C(=O)NCCC(=O)O[*:1])C1=O
Cc1ccc(N2CC[C@@H](C(=O)NCCC(=O)OC(C)C)C2=O)cc1 CC(C)OC(=O)CC[*:1] Cc1ccc(cc1)N1CC[C@@H](C(=O)N[*:1])C1=O
Cc1ccc(N2CC[C@@H](C(=O)NCCC(=O)OC(C)C)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)OC(=O)CCNC(=O)[C@@H]1CCN(C1=O)[*:1]
Cc1ccc(N2CC[C@@H](C(=O)NCCC(=O)OC(C)C)C2=O)cc1 CC(C)OC(=O)[*:1] Cc1ccc(cc1)N1CC[C@@H](C(=O)NCC[*:1])C1=O
Cc1c(C[C@H](C)Cl)c(=O)oc2cc(O)ccc12 C[C@H](Cl)[*:1] Cc1c(C[*:1])c(=O)oc2cc(O)ccc12
Cc1c(C[C@H](C)Cl)c(=O)oc2cc(O)ccc12 C[C@H](Cl)C[*:1] Cc1c(c(=O)oc2cc(O)ccc12)[*:1]
C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 CS(=O)(=O)[*:1] C[C@H]([NH2+]CC1(CC1)C[*:1])c1ccc(Cl)c(Cl)c1
C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 CS(=O)(=O)C[*:1] C[C@H]([NH2+]CC1(CC1)[*:1])c1ccc(Cl)c(Cl)c1
Cc1nc(Cl)cc(NC2CCN(C(=O)OC(C)C)CC2)n1 CC(C)[*:1] Cc1nc(Cl)cc(n1)NC1CCN(CC1)C(=O)O[*:1]
O=C(c1cncc(N2CCC[C@]3(CCOC3)C2)n1)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1ncc(nc1N1CCC[C@]2(CCOC2)C1)[*:1]
CCn1nccc1C(=O)N1CC[C@H](Oc2cc(N(C)C)ncn2)C1 CN(C)[*:1] CCn1nccc1C(=O)N1CC[C@@H](C1)Oc1cc(ncn1)[*:1]
CCn1nccc1C(=O)N1CC[C@H](Oc2cc(N(C)C)ncn2)C1 CCn1nccc1[*:1] CN(C)c1cc(ncn1)O[C@H]1CCN(C1)C(=O)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)N[C@@H](c2ncc(C)s2)C2CC2)C1 C1CC1[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)N[C@@H](c1ncc(C)s1)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)N[C@@H](c2ncc(C)s2)C2CC2)C1 Cc1cnc(s1)[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)N[C@@H](C1CC1)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)N[C@@H](c2ncc(C)s2)C2CC2)C1 CCS[*:1] Cc1cnc(s1)[C@H](NC(=O)N[C@@H]1CC[C@@H](C1)[*:1])C1CC1
COc1ccc(-c2nc(CSc3nc4ccccc4n3C)co2)cc1 COc1ccc(cc1)[*:1] Cn1c(nc2ccccc21)SCc1coc(n1)[*:1]
Cc1csc([C@@H](C)Nc2nc3cc([N+](=O)[O-])ccc3o2)n1 O=[N+]([O-])[*:1] Cc1csc(n1)[C@@H](C)Nc1nc2cc(ccc2o1)[*:1]
Cc1csc([C@@H](C)Nc2nc3cc([N+](=O)[O-])ccc3o2)n1 Cc1csc(n1)[*:1] C[C@@H](Nc1nc2cc(ccc2o1)[N+](=O)[O-])[*:1]
Cc1ccc(CCNC(=O)C[C@H](O)c2cccc(F)c2)c(C)c1 Fc1cccc(c1)[*:1] Cc1ccc(CCNC(=O)C[C@H](O)[*:1])c(C)c1
C[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)N(c1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)N(S(C)(=O)=O)[*:1]
O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(F)c(F)c2)cs1 O=[N+]([O-])[*:1] O=C(Cc1ccccc1[*:1])Nc1nc(cs1)-c1ccc(F)c(F)c1
O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(F)c(F)c2)cs1 Fc1ccc(cc1F)[*:1] O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(cs1)[*:1]
Cc1ccccc1OCCn1c([C@@H]2CCCO2)nc2ccccc21 Cc1ccccc1[*:1] c1ccc2c(c1)nc([C@@H]1CCCO1)n2CCO[*:1]
Cc1ccccc1OCCn1c([C@@H]2CCCO2)nc2ccccc21 Cc1ccccc1O[*:1] c1ccc2c(c1)nc([C@@H]1CCCO1)n2CC[*:1]
Cc1nnc(NC(=O)[C@@H]2CC(=O)C(OCc3ccc(Cl)c(Cl)c3)=CO2)s1 Cc1nnc(s1)[*:1] O=C1C[C@H](OC=C1OCc1ccc(Cl)c(Cl)c1)C(=O)N[*:1]
Cc1nnc(NC(=O)[C@@H]2CC(=O)C(OCc3ccc(Cl)c(Cl)c3)=CO2)s1 Clc1ccc(cc1Cl)[*:1] Cc1nnc(NC(=O)[C@@H]2CC(=O)C(=CO2)OC[*:1])s1
CCOC(=O)C1=C(C)N=C2SCC(CC(=O)NC3CCCCC3)=[N+]2[C@@H]1c1ccccc1C CCOC(=O)[*:1] CC1N=C2SCC(CC(=O)NC3CCCCC3)=[N+]2[C@@H](C=1[*:1])c1ccccc1C
CCOC(=O)C1=C(C)N=C2SCC(CC(=O)NC3CCCCC3)=[N+]2[C@@H]1c1ccccc1C O=C(NC1CCCCC1)[*:1] CCOC(=O)C1=C(C)N=C2SCC(C[*:1])=[N+]2[C@@H]1c1ccccc1C
CCOC(=O)C1=C(C)N=C2SCC(CC(=O)NC3CCCCC3)=[N+]2[C@@H]1c1ccccc1C Cc1ccccc1[*:1] CCOC(=O)C1=C(C)N=C2SCC(CC(=O)NC3CCCCC3)=[N+]2[C@H]1[*:1]
CCOC(=O)C1=C(C)N=C2SCC(CC(=O)NC3CCCCC3)=[N+]2[C@@H]1c1ccccc1C O=C(C[*:1])NC1CCCCC1 CCOC(=O)C1=C(C)N=C2SCC(=[N+]2[C@@H]1c1ccccc1C)[*:1]
CCOC(=O)C1=C(C)N=C2SCC(CC(=O)NC3CCCCC3)=[N+]2[C@@H]1c1ccccc1C C1CCC(CC1)[*:1] CCOC(=O)C1=C(C)N=C2SCC(CC(=O)N[*:1])=[N+]2[C@@H]1c1ccccc1C
COc1ccccc1NC(=O)CSc1nccn(-c2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] COc1ccccc1NC(=O)CSc1nccn(c1=O)[*:1]
COc1ccccc1NC(=O)CSc1nccn(-c2ccc(Cl)cc2)c1=O COc1ccccc1[*:1] O=C(CSc1nccn(-c2ccc(Cl)cc2)c1=O)N[*:1]
CCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 CCC[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1ccc(o1)-c1ccccc1[N+](=O)[O-]
CCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 CCCC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(o1)-c1ccccc1[N+](=O)[O-]
CCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 O=[N+]([O-])[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)c1ccc(o1)-c1ccccc1[*:1]
CCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 O=[N+]([O-])c1ccccc1[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)c1ccc(o1)[*:1]
CN(C)C(=O)C1CCN(C(=O)CCSc2nc3ccccc3s2)CC1 CN(C)C(=O)[*:1] O=C(CCSc1nc2ccccc2s1)N1CCC(CC1)[*:1]
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCCCCC1=O O=C1CCCCCN1[*:1] COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[*:1]
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCCCCC1=O COC(=O)[*:1] O=C(CN1CCCCCC1=O)N[C@H](Cc1c[nH]c2ccccc12)[*:1]
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCCCCC1=O O=C1CCCCCN1C[*:1] COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[*:1]
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCCCCC1=O c1ccc2c(c[nH]c2c1)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)CN1CCCCCC1=O
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(NC(N)=O)cc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NCc1ccc(cc1)NC(N)=O
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(NC(N)=O)cc1 CC(C)[*:1] NC(=O)Nc1ccc(cc1)CNC(=O)[C@H](NC(=O)c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(NC(N)=O)cc1 O=C(N[*:1])c1ccccc1 CC(C)[C@@H](C(=O)NCc1ccc(cc1)NC(N)=O)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(NC(N)=O)cc1 NC(=O)N[*:1] CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(cc1)[*:1]
Cn1cc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])N1CCC(CC1)c1c[nH]c2ccccc12
CC(C)CN(C)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 CC(C)C[*:1] CN(C(=O)Cc1ccc(cc1)S(=O)(=O)C(F)F)[*:1]
CC(C)CN(C)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 CC(C)[*:1] CN(C[*:1])C(=O)Cc1ccc(cc1)S(=O)(=O)C(F)F
CC(C)CN(C)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] CC(C)CN(C)C(=O)Cc1ccc(cc1)S(=O)(=O)[*:1]
CC(C)CN(C)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] CC(C)CN(C)C(=O)Cc1ccc(cc1)[*:1]
O=C(/C=C/c1ccccn1)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2F)C1 c1ccc(nc1)[*:1] O=C(C=C[*:1])N1CCC[C@H](C1)c1[nH]ncc1-c1ccccc1F
O=C(/C=C/c1ccccn1)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2F)C1 C(=C[*:1])c1ccccn1 O=C(N1CCC[C@H](C1)c1[nH]ncc1-c1ccccc1F)[*:1]
O=C(/C=C/c1ccccn1)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(/C=C/c1ccccn1)N1CCC[C@H](C1)c1[nH]ncc1[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(N)=S)C1 NC(=S)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(N)=S)C1 CC(C)(C)[*:1] NC(=S)[C@H]1CCCN(C1)C(=O)O[*:1]
C[C@@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)C[C@@H]1O c1ccc(cc1)C[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1cc(nn1[*:1])C(C)(C)C
C[C@@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)C[C@@H]1O CC(C)(C)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1cc(nn1Cc1ccccc1)[*:1]
C[C@@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1cc(nn1C[*:1])C(C)(C)C
Cc1ccc2ncc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2c1 O=[N+]([O-])[*:1] Cc1ccc2ncc(C(=O)Nc3ccc(Cl)c(c3)[*:1])n2c1
NC(=O)Cn1cc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)nn1 NC(=O)C[*:1] O=C(c1cn(nn1)[*:1])N(Cc1ccc2OCCc2c1)C1CCCC1
NC(=O)Cn1cc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)nn1 c1cc2OCCc2cc1[*:1] NC(=O)Cn1cc(nn1)C(=O)N(C[*:1])C1CCCC1
NC(=O)Cn1cc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)nn1 NC(=O)[*:1] O=C(c1cn(C[*:1])nn1)N(Cc1ccc2OCCc2c1)C1CCCC1
NC(=O)Cn1cc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)nn1 C1CCC(C1)[*:1] NC(=O)Cn1cc(nn1)C(=O)N(Cc1ccc2OCCc2c1)[*:1]
NC(=O)Cn1cc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)nn1 NC(=O)Cn1cc(nn1)[*:1] O=C(N(Cc1ccc2OCCc2c1)C1CCCC1)[*:1]
COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)CCCC(=O)[O-])C2)cc1 COc1ccc(cc1)[*:1] O=C([O-])CCCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(c(=O)n1C2)[*:1]
COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)CCCC(=O)[O-])C2)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1ccc2[C@@H]3C[C@@H](CN(C3)C(=O)CCC[*:1])Cn2c1=O
COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)CCCC(=O)[O-])C2)cc1 O=C([O-])CCC[*:1] COc1ccc(cc1)-c1ccc2[C@@H]3C[C@@H](CN(C3)C(=O)[*:1])Cn2c1=O
COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)CCCC(=O)[O-])C2)cc1 O=C([O-])CC[*:1] COc1ccc(cc1)-c1ccc2[C@@H]3C[C@@H](CN(C3)C(=O)C[*:1])Cn2c1=O
COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)CCCC(=O)[O-])C2)cc1 O=C([O-])C[*:1] COc1ccc(cc1)-c1ccc2[C@@H]3C[C@@H](CN(C3)C(=O)CC[*:1])Cn2c1=O
Cc1ccsc1C(=O)N(C)C1CCN(c2cccc(F)c2)CC1 Cc1ccsc1[*:1] CN(C(=O)[*:1])C1CCN(CC1)c1cccc(F)c1
Cc1ccsc1C(=O)N(C)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] Cc1ccsc1C(=O)N(C)C1CCN(CC1)[*:1]
COc1ccc(-c2nnc([C@H](C)OC(=O)c3cnn(C)c3)o2)cc1 Cn1cc(cn1)[*:1] COc1ccc(cc1)-c1nnc(o1)[C@H](C)OC(=O)[*:1]
COc1ccc(-c2nnc([C@H](C)OC(=O)c3cnn(C)c3)o2)cc1 COc1ccc(cc1)[*:1] C[C@H](OC(=O)c1cnn(C)c1)c1nnc(o1)[*:1]
CCCNC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 Clc1ccc(cc1)[*:1] CCCNC(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
CCCNC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 CCC[*:1] O=C(N[*:1])N1CCN(CC1)Cc1nc(no1)-c1ccc(Cl)cc1
CSc1nnc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)s1 CSc1nnc(s1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H](C)S[*:1]
CC1(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)COC1 CC1(COC1)[*:1] c1ccc(cc1)[C@@H]1CCCC[C@H]1[NH2+]C[*:1]
CC1(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)COC1 c1ccc(cc1)[*:1] CC1(C[NH2+][C@@H]2CCCC[C@@H]2[*:1])COC1
Cc1n[nH]c(-c2ccc(NC(=O)C(=O)N3CC[C@H](O)C3)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CC[C@H](O)C1
CC[C@H](NC(=O)c1ccon1)c1nc2ccccc2[nH]1 c1cc(no1)[*:1] CC[C@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] CC(C)c1cccc(c1NC(=O)C(=O)N[*:1])C(C)C
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCc1cccnc1 CC(C)[*:1] CC(C)c1cccc(c1NC(=O)C(=O)NCc1cccnc1)[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCc1cccnc1 c1cncc(c1)[*:1] CC(C)c1cccc(c1NC(=O)C(=O)NC[*:1])C(C)C
NS(=O)(=O)CCSc1nc2cc(Cl)ccc2s1 NS(=O)(=O)C[*:1] Clc1ccc2sc(nc2c1)SC[*:1]
NS(=O)(=O)CCSc1nc2cc(Cl)ccc2s1 NS(=O)(=O)[*:1] Clc1ccc2sc(nc2c1)SCC[*:1]
Cc1nc(C)c(C(=O)N2CCC[C@H](COc3ccccc3)C2)o1 Cc1nc(C)c(o1)[*:1] O=C(N1CCC[C@H](COc2ccccc2)C1)[*:1]
Cc1nc(C)c(C(=O)N2CCC[C@H](COc3ccccc3)C2)o1 c1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)N1CCC[C@H](CO[*:1])C1
Cc1nc(C)c(C(=O)N2CCC[C@H](COc3ccccc3)C2)o1 c1ccc(cc1)O[*:1] Cc1nc(C)c(o1)C(=O)N1CCC[C@@H](C1)C[*:1]
Cc1ccc2cccc(NC(=O)C(=O)N[C@@H](CC(C)C)c3cccs3)c2n1 CC(C)C[*:1] Cc1ccc2cccc(NC(=O)C(=O)N[C@@H](c3cccs3)[*:1])c2n1
Cc1ccc2cccc(NC(=O)C(=O)N[C@@H](CC(C)C)c3cccs3)c2n1 c1csc(c1)[*:1] Cc1ccc2cccc(NC(=O)C(=O)N[C@@H](CC(C)C)[*:1])c2n1
Cc1ccc2cccc(NC(=O)C(=O)N[C@@H](CC(C)C)c3cccs3)c2n1 CC(C)[*:1] Cc1ccc2cccc(NC(=O)C(=O)N[C@@H](C[*:1])c3cccs3)c2n1
CC(C)CC[C@H](C)NC(=O)c1cc(C(C)C)nn1C CC(C)[*:1] CC(C)c1cc(C(=O)N[C@@H](C)CC[*:1])n(C)n1
CC(C)CC[C@H](C)NC(=O)c1cc(C(C)C)nn1C CC(C)[*:1] CC(C)CC[C@H](C)NC(=O)c1cc(nn1C)[*:1]
CC(C)CC[C@H](C)NC(=O)c1cc(C(C)C)nn1C CC(C)C[*:1] CC(C)c1cc(C(=O)N[C@@H](C)C[*:1])n(C)n1
CC(C)CC[C@H](C)NC(=O)c1cc(C(C)C)nn1C CC(C)CC[*:1] CC(C)c1cc(C(=O)N[C@@H](C)[*:1])n(C)n1
C[C@@]1(Cc2ccccc2)CC[NH2+]C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@]1(CC[NH2+]C[C@H]1[*:1])Cc1ccccc1
C[C@@]1(Cc2ccccc2)CC[NH2+]C[C@@H]1c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@]1(CC[NH2+]C[C@@H]1c1ccc(F)cc1)C[*:1]
C[C@@]1(Cc2ccccc2)CC[NH2+]C[C@@H]1c1ccc(F)cc1 c1ccc(cc1)C[*:1] C[C@]1(CC[NH2+]C[C@@H]1c1ccc(F)cc1)[*:1]
N#CCN(C(=O)CSc1ccc2c(c1)CCC2)c1ccccc1 c1ccc(cc1)[*:1] N#CCN(C(=O)CSc1ccc2CCCc2c1)[*:1]
N#CCN(C(=O)CSc1ccc2c(c1)CCC2)c1ccccc1 N#CC[*:1] O=C(CSc1ccc2CCCc2c1)N(c1ccccc1)[*:1]
COC(=O)[C@@]1(N)CC[C@@H](Oc2cccc([N+](=O)[O-])c2C)C1 COC(=O)[*:1] Cc1c(cccc1[N+](=O)[O-])O[C@@H]1CC[C@](N)(C1)[*:1]
COC(=O)[C@@]1(N)CC[C@@H](Oc2cccc([N+](=O)[O-])c2C)C1 O=[N+]([O-])[*:1] COC(=O)[C@@]1(N)CC[C@H](C1)Oc1cccc(c1C)[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)cn1 Fc1cccc(c1)[*:1] C[C@H](CC[*:1])C(=O)Nc1ccc(F)cn1
C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H](CCc1cccc(F)c1)C(=O)N[*:1]
C[C@H](O)[C@@H](C)C1(C(=O)[O-])CCCCC1 O=C([O-])[*:1] C[C@H](O)[C@@H](C)C1(CCCCC1)[*:1]
C[C@H](O)[C@@H](C)C1(C(=O)[O-])CCCCC1 C[C@H](O)[*:1] C[C@@H](C1(CCCCC1)C(=O)[O-])[*:1]
O=C(NCCc1cccnc1)C1(c2ccc(F)cc2F)CCCC1 c1cncc(c1)[*:1] O=C(NCC[*:1])C1(CCCC1)c1ccc(F)cc1F
O=C(NCCc1cccnc1)C1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] O=C(NCCc1cccnc1)C1(CCCC1)[*:1]
O=C(NCCc1cccnc1)C1(c2ccc(F)cc2F)CCCC1 c1cncc(c1)CC[*:1] O=C(N[*:1])C1(CCCC1)c1ccc(F)cc1F
O=C(NCCc1cccnc1)C1(c2ccc(F)cc2F)CCCC1 c1cncc(c1)C[*:1] O=C(NC[*:1])C1(CCCC1)c1ccc(F)cc1F
CCc1nc2c(s1)[C@H](N(C)C(=O)NCc1cn(C)nc1CC)CCC2 CCc1nn(C)cc1[*:1] CCc1nc2CCC[C@H](c2s1)N(C)C(=O)NC[*:1]
CC(C)[C@@H]1N(C(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccccc1 FC(F)(F)[*:1] CC(C)[C@@H]1N(CCN1S(=O)(=O)c1ccccc1)C(=O)[*:1]
CC(C)[C@@H]1N(C(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccccc1 CC(C)[*:1] O=C(N1CCN([C@@H]1[*:1])S(=O)(=O)c1ccccc1)C(F)(F)F
CC(C)[C@@H]1N(C(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H]1N(CCN1S(=O)(=O)[*:1])C(=O)C(F)(F)F
CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(Cl)c(Cl)c2)n1 CS(=O)(=O)[*:1] O=C(Nc1nc(n[n-]1)[*:1])c1ccc(Cl)c(Cl)c1
COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)Nc2nc(C)cs2)c1 Cc1csc(n1)NC(=O)[*:1] COc1cccc(c1)-c1nn(cc1[*:1])-c1ccc(C)cc1
COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)Nc2nc(C)cs2)c1 Cc1csc(n1)[*:1] COc1cccc(c1)-c1nn(cc1C(=O)N[*:1])-c1ccc(C)cc1
COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)Nc2nc(C)cs2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)-c1nn(cc1C(=O)Nc1nc(C)cs1)[*:1]
COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)Nc2nc(C)cs2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-n1cc(C(=O)Nc2nc(C)cs2)c(n1)[*:1]
CC/[NH+]=C(/NCC(C)(C)c1cccc(C)c1)N1CC[C@@H](O)C1 Cc1cccc(c1)[*:1] CC/[NH+]=C(/NCC(C)(C)[*:1])N1CC[C@@H](O)C1
CC[NH2+][C@@]1(C(=O)OCC)CC[C@H](Sc2cccc(Cl)c2)C1 CCOC(=O)[*:1] CC[NH2+][C@]1(CC[C@@H](C1)Sc1cccc(Cl)c1)[*:1]
CC[NH2+][C@@]1(C(=O)OCC)CC[C@H](Sc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC[NH2+][C@]1(CC[C@@H](C1)S[*:1])C(=O)OCC
COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] COc1ccccc1[C@@H]1CCCN1S(=O)(=O)[*:1]
O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 C1CN(CCO1)[*:1] O=C(NC[C@@H](O)c1ccccc1)c1ccc(c(F)c1)[*:1]
O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 c1ccc(cc1)[*:1] O=C(NC[C@@H](O)[*:1])c1ccc(c(F)c1)N1CCOCC1
O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 O[C@@H](c1ccccc1)[*:1] O=C(NC[*:1])c1ccc(c(F)c1)N1CCOCC1
Cc1nc(C(=O)N2CCCC[C@@H]2c2nccs2)c[nH]1 Cc1nc(c[nH]1)[*:1] O=C(N1CCCC[C@@H]1c1nccs1)[*:1]
Cc1nc(C(=O)N2CCCC[C@@H]2c2nccs2)c[nH]1 c1csc(n1)[*:1] Cc1nc(c[nH]1)C(=O)N1CCCC[C@H]1[*:1]
Cc1ccccc1NC(=O)C1=Cc2cc(Br)ccc2OC1 Cc1ccccc1[*:1] O=C(N[*:1])C1=Cc2cc(Br)ccc2OC1
CCOCc1c(C(=O)Nc2cccc(C(N)=O)c2)oc2ccccc12 NC(=O)[*:1] CCOCc1c(oc2ccccc12)C(=O)Nc1cccc(c1)[*:1]
CCOCc1c(C(=O)Nc2cccc(C(N)=O)c2)oc2ccccc12 CCO[*:1] NC(=O)c1cccc(c1)NC(=O)c1oc2ccccc2c1C[*:1]
CCOCc1c(C(=O)Nc2cccc(C(N)=O)c2)oc2ccccc12 CCOC[*:1] NC(=O)c1cccc(c1)NC(=O)c1oc2ccccc2c1[*:1]
Cc1nc(SCC(=O)N[C@]2(C)CCS(=O)(=O)C2)n(C2CC2)c1C C1CC1[*:1] Cc1nc(SCC(=O)N[C@]2(C)CCS(=O)(=O)C2)n(c1C)[*:1]
Cn1cccc(C(=O)N2CCC(CNS(=O)(=O)c3ccccc3F)CC2)c1=O Fc1ccccc1[*:1] Cn1cccc(C(=O)N2CCC(CC2)CNS(=O)(=O)[*:1])c1=O
Cn1cccc(C(=O)N2CCC(CNS(=O)(=O)c3ccccc3F)CC2)c1=O Cn1cccc(c1=O)[*:1] O=C(N1CCC(CC1)CNS(=O)(=O)c1ccccc1F)[*:1]
O=C(c1sccc1-n1cccc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] O=C(c1sccc1-n1cccc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1sccc1-n1cccc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 c1ccn(c1)[*:1] O=C(c1sccc1[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1
Cc1cccc(-c2ccc(C(=O)N[C@@H](C)c3nncn3C)c(=O)[nH]2)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)c1ccc([nH]c1=O)[*:1])c1nncn1C
Cc1cccc(-c2ccc(C(=O)N[C@@H](C)c3nncn3C)c(=O)[nH]2)c1 Cn1cnnc1[*:1] Cc1cccc(c1)-c1ccc(C(=O)N[C@@H](C)[*:1])c(=O)[nH]1
COc1cccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3cc(C)c(C)cc3C)C2)c1 Cc1cc(C)c(cc1C)[*:1] COc1cccc(c1)CNC(=O)[C@]1(C)CCCN(C1)S(=O)(=O)[*:1]
COc1cccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3cc(C)c(C)cc3C)C2)c1 COc1cccc(c1)[*:1] Cc1cc(C)c(cc1C)S(=O)(=O)N1CCC[C@](C)(C1)C(=O)NC[*:1]
COc1cccc(CNC(=O)[C@]2(C)CCCN(S(=O)(=O)c3cc(C)c(C)cc3C)C2)c1 COc1cccc(c1)C[*:1] Cc1cc(C)c(cc1C)S(=O)(=O)N1CCC[C@](C)(C1)C(=O)N[*:1]
O=C(NCc1ccccc1)C(=O)N1CCN(C(=O)[C@H]2C=c3ccccc3=[NH+]2)CC1 c1ccc(cc1)C[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)C(=O)[C@H]1C=c2ccccc2=[NH+]1
O=C(NCc1ccccc1)C(=O)N1CCN(C(=O)[C@H]2C=c3ccccc3=[NH+]2)CC1 c1ccc(cc1)[*:1] O=C(NC[*:1])C(=O)N1CCN(CC1)C(=O)[C@H]1C=c2ccccc2=[NH+]1
O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 c1cc2OCOc2cc1[*:1] O=C([C@@H]1CCCc2ccccc21)N1CCN(CC1)C(=O)[*:1]
C[C@@H](CCc1ccco1)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 c1coc(c1)[*:1] C[C@@H](CC[*:1])NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2
C[C@@H](CCc1ccco1)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 c1coc(c1)CC[*:1] C[C@@H](NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)[*:1]
C[C@@H](CCc1ccco1)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 C[C@@H](CCc1ccco1)[*:1] O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)N[*:1]
C[C@@H](CCc1ccco1)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 c1coc(c1)C[*:1] C[C@@H](C[*:1])NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2
CCC[C@@H](Br)C(=O)c1ccccc1 CCC[*:1] O=C(c1ccccc1)[C@H](Br)[*:1]
Cc1nn(CC(F)F)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)[O-] FC(F)[*:1] Cc1nn(C[*:1])c2c1c(cc(=O)n2CC(=O)[O-])C(F)(F)F
Cc1nn(CC(F)F)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)[O-] O=C([O-])C[*:1] Cc1nn(CC(F)F)c2c1c(cc(=O)n2[*:1])C(F)(F)F
Cc1nn(CC(F)F)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)[O-] FC(F)C[*:1] Cc1nn(c2c1c(cc(=O)n2CC(=O)[O-])C(F)(F)F)[*:1]
Cc1nn(CC(F)F)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)[O-] O=C([O-])[*:1] Cc1nn(CC(F)F)c2c1c(cc(=O)n2C[*:1])C(F)(F)F
Cc1nn(CC(F)F)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)[O-] FC(F)(F)[*:1] Cc1nn(CC(F)F)c2c1c(cc(=O)n2CC(=O)[O-])[*:1]
Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)N(C(C)C)C(C)C CC(C)[*:1] Cc1nc(ncc1[C@@H](C)NC(=O)N(C(C)C)[*:1])-c1ccncc1
Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)N(C(C)C)C(C)C c1cc(ccn1)[*:1] Cc1nc(ncc1[C@@H](C)NC(=O)N(C(C)C)C(C)C)[*:1]
C=CCNC(=O)[C@H](C)N1CCc2c(cccc2NC(C)=O)C1 C=CCNC(=O)[*:1] CC(=O)Nc1cccc2CN(CCc21)[C@@H](C)[*:1]
C=CCNC(=O)[C@H](C)N1CCc2c(cccc2NC(C)=O)C1 C=CC[*:1] CC(=O)Nc1cccc2CN(CCc21)[C@@H](C)C(=O)N[*:1]
C=CCNC(=O)[C@H](C)N1CCc2c(cccc2NC(C)=O)C1 CC(=O)N[*:1] C=CCNC(=O)[C@H](C)N1CCc2c(cccc2[*:1])C1
O=C(CCCNC(=O)c1ccc(Cl)cc1)NC1CCCCCC1 Clc1ccc(cc1)[*:1] O=C(CCCNC(=O)[*:1])NC1CCCCCC1
O=C(CCCNC(=O)c1ccc(Cl)cc1)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CCCNC(=O)c1ccc(Cl)cc1)N[*:1]
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(O)cc1 c1ccc(cc1)[*:1] O=C1NC(=S)N(C(=O)[C@H]1/C=N/c1ccc(O)cc1)[*:1]
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C1NC(=S)N(C(=O)[C@H]1C=N[*:1])c1ccccc1
Cc1ccc(C)c(OCc2nnc(SCC(=O)C34CC5CC(CC(C5)C3)C4)o2)c1 Cc1ccc(C)c(c1)O[*:1] O=C(CSc1nnc(C[*:1])o1)C12CC3CC(CC(C3)C1)C2
Cc1ccc(C)c(OCc2nnc(SCC(=O)C34CC5CC(CC(C5)C3)C4)o2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nnc(CO[*:1])o1)C12CC3CC(CC(C3)C1)C2
Cc1cc(CNC(=O)c2csc(C#CCCO)c2)sc1C OCC[*:1] Cc1cc(CNC(=O)c2csc(C#C[*:1])c2)sc1C
Cc1cc(CNC(=O)c2csc(C#CCCO)c2)sc1C Cc1cc(sc1C)[*:1] O=C(NC[*:1])c1csc(C#CCCO)c1
Cc1cc(CNC(=O)c2csc(C#CCCO)c2)sc1C OCCC#C[*:1] Cc1cc(CNC(=O)c2csc(c2)[*:1])sc1C
Cc1ccc(CC(=O)N[C@@H](C)c2ccccc2-n2cccn2)cc1O Cc1ccc(cc1O)[*:1] C[C@H](NC(=O)C[*:1])c1ccccc1-n1cccn1
Cc1ccc(CC(=O)N[C@@H](C)c2ccccc2-n2cccn2)cc1O c1cnn(c1)[*:1] Cc1ccc(cc1O)CC(=O)N[C@@H](C)c1ccccc1[*:1]
O=C(c1ccc[nH]c1=O)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 O=c1[nH]cccc1[*:1] O=C(N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
O=C(c1ccc[nH]c1=O)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 c1ccc(cc1)[*:1] O=C(c1ccc[nH]c1=O)N1CCN(C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
O=C(c1ccc[nH]c1=O)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 c1ccc(cc1)C[*:1] O=C(c1ccc[nH]c1=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CNC(=O)c1cccnc1-c1ccc(CO)cc1 CNC(=O)[*:1] OCc1ccc(cc1)-c1ncccc1[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)NCCCc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)NCCC[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)NCCCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)NC[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)NCCCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)NCC[*:1]
Cc1nn(C)cc1CCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 Cc1nn(C)cc1[*:1] C[NH+](C)CCn1ccc2ccc(cc21)NC(=O)CC[*:1]
Cc1nn(C)cc1CCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 Cc1nn(C)cc1C[*:1] C[NH+](C)CCn1ccc2ccc(cc21)NC(=O)C[*:1]
CC(C)(C)CCS(=O)(=O)N(CC#N)C1CCCC1 C1CCC(C1)[*:1] CC(C)(C)CCS(=O)(=O)N(CC#N)[*:1]
CC(C)(C)CCS(=O)(=O)N(CC#N)C1CCCC1 CC(C)(C)C[*:1] N#CCN(C1CCCC1)S(=O)(=O)C[*:1]
CC(C)(C)CCS(=O)(=O)N(CC#N)C1CCCC1 CC(C)(C)[*:1] N#CCN(C1CCCC1)S(=O)(=O)CC[*:1]
CC(C)(C)CCS(=O)(=O)N(CC#N)C1CCCC1 N#CC[*:1] CC(C)(C)CCS(=O)(=O)N(C1CCCC1)[*:1]
CC(C)(C)CCS(=O)(=O)N(CC#N)C1CCCC1 CC(C)(C)CC[*:1] N#CCN(C1CCCC1)S(=O)(=O)[*:1]
C[C@@H]1CCN(C(=O)OC(C)(C)C)c2nc(CCO)ccc21 OCC[*:1] C[C@@H]1CCN(C(=O)OC(C)(C)C)c2nc(ccc21)[*:1]
C[C@@H]1CCN(C(=O)OC(C)(C)C)c2nc(CCO)ccc21 CC(C)(C)[*:1] C[C@@H]1CCN(C(=O)O[*:1])c2nc(ccc21)CCO
CCN(C(=O)NCc1ccc(OC)nc1)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(C(=O)NCc1ccc(nc1)OC)[C@@H](C)[*:1]
CCN(C(=O)NCc1ccc(OC)nc1)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(C(=O)NCc1ccc(nc1)OC)[C@@H](C)C[*:1]
CCCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)cc1 CCC[*:1] Cc1ccc(cc1)C(=O)[C@H]1[C@H](NC(=O)N[C@@]1(O)C(F)(F)F)c1ccc(cc1)O[*:1]
CCCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)cc1 CCCOc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)[C@H]1[C@H](NC(=O)N[C@@]1(O)C(F)(F)F)[*:1]
CCCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)C(=O)[*:1] CCCOc1ccc(cc1)[C@H]1NC(=O)N[C@](O)([C@@H]1[*:1])C(F)(F)F
CCCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCCOc1ccc(cc1)[C@H]1NC(=O)N[C@](O)([C@H]1C(=O)[*:1])C(F)(F)F
CCCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)cc1 FC(F)(F)[*:1] CCCOc1ccc(cc1)[C@H]1NC(=O)N[C@@](O)([C@H]1C(=O)c1ccc(C)cc1)[*:1]
CCCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)cc1 CCCO[*:1] Cc1ccc(cc1)C(=O)[C@H]1[C@H](NC(=O)N[C@@]1(O)C(F)(F)F)c1ccc(cc1)[*:1]
CC[C@@H](NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1)c1ccncc1 CS(=O)(=O)[*:1] CC[C@@H](NC(=O)Nc1ccc(C)c(c1)[*:1])c1ccncc1
CC[C@@H](NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)Nc1ccc(C)c(c1)S(C)(=O)=O)[*:1]
COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3cccc(C(C)=O)c3)cc21 COC(=O)[*:1] CC(=O)c1cccc(c1)NS(=O)(=O)c1ccc2SCC(=O)N(C[*:1])c2c1
COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3cccc(C(C)=O)c3)cc21 CC(=O)[*:1] COC(=O)CN1C(=O)CSc2ccc(cc21)S(=O)(=O)Nc1cccc(c1)[*:1]
COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3cccc(C(C)=O)c3)cc21 CC(=O)c1cccc(c1)[*:1] COC(=O)CN1C(=O)CSc2ccc(cc21)S(=O)(=O)N[*:1]
COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3cccc(C(C)=O)c3)cc21 COC(=O)C[*:1] CC(=O)c1cccc(c1)NS(=O)(=O)c1ccc2SCC(=O)N(c2c1)[*:1]
CC(C)([C@H]([NH3+])CC1CCOCC1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)([C@H]([NH3+])CC1CCOCC1)[*:1]
CC(C)([C@H]([NH3+])CC1CCOCC1)N1CCOCC1 C1CC(CCO1)[*:1] CC(C)([C@H]([NH3+])C[*:1])N1CCOCC1
Cc1cc(C)c(C(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)c(=O)[nH]1 Cc1cc(C)c(c(=O)[nH]1)[*:1] O=C(N[C@@H]1CC2(CCOCC2)Oc2ccccc21)[*:1]
CCOCc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 CCOCc1ccc(cc1)[*:1] O=C(N1CCC[C@@H](C1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F)[*:1]
CCOCc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 FC(F)(F)[*:1] CCOCc1ccc(cc1)C(=O)N1CCC[C@@H](C1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
CCOCc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 CCO[*:1] O=C(c1ccc(cc1)C[*:1])N1CCC[C@@H](C1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F
CCOCc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 CCOC[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@@H](C1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F
NC(=[NH2+])NCc1csc2ccccc12 NC(=[NH2+])N[*:1] c1ccc2c(csc2c1)C[*:1]
CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCOC2)c1 CCC[*:1] O=C(N[*:1])c1cccc(c1)C[NH2+][C@@H]1CCOC1
CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCOC2)c1 CCCNC(=O)[*:1] c1cc(cc(c1)[*:1])C[NH2+][C@@H]1CCOC1
CN(CC(=O)N1CCCC[C@H]1C1OCCO1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CC(=O)N1CCCC[C@H]1C1OCCO1)c1ccccc1[*:1]
CN(CC(=O)N1CCCC[C@H]1C1OCCO1)c1ccccc1[N+](=O)[O-] C1COC(O1)[*:1] CN(CC(=O)N1CCCC[C@@H]1[*:1])c1ccccc1[N+](=O)[O-]
Cc1cc(=O)c(C(=O)Nc2ncc(Cc3ccccc3F)s2)nn1-c1ccccc1F Fc1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)Nc1ncc(Cc2ccccc2F)s1
Cc1cc(=O)c(C(=O)Nc2ncc(Cc3ccccc3F)s2)nn1-c1ccccc1F Fc1ccccc1[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)Nc1ncc(C[*:1])s1
Cc1cc(=O)c(C(=O)Nc2ncc(Cc3ccccc3F)s2)nn1-c1ccccc1F Fc1ccccc1C[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)Nc1ncc(s1)[*:1]
C[C@H](CCl)CS(=O)(=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](CCl)CS(=O)(=O)c1cc(Cl)c(Cl)cc1[*:1]
CCS(=O)(=O)c1cccc(NC(=O)/C=C(/C)C(C)(C)C)c1 CC(=C[*:1])C(C)(C)C CCS(=O)(=O)c1cccc(c1)NC(=O)[*:1]
CCS(=O)(=O)c1cccc(NC(=O)/C=C(/C)C(C)(C)C)c1 CCS(=O)(=O)[*:1] C/C(=C/C(=O)Nc1cccc(c1)[*:1])C(C)(C)C
CCS(=O)(=O)c1cccc(NC(=O)/C=C(/C)C(C)(C)C)c1 CC(C)(C)[*:1] CCS(=O)(=O)c1cccc(c1)NC(=O)C=C(C)[*:1]
O=C([O-])CCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 O=C([O-])[*:1] O=C([O-])c1cc(ccc1Cl)S(=O)(=O)NCC[*:1]
O=C([O-])CCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 O=C([O-])CC[*:1] O=C([O-])c1cc(ccc1Cl)S(=O)(=O)N[*:1]
O=C([O-])CCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 O=C([O-])[*:1] O=C([O-])CCNS(=O)(=O)c1ccc(Cl)c(c1)[*:1]
O=C([O-])CCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 O=C([O-])C[*:1] O=C([O-])c1cc(ccc1Cl)S(=O)(=O)NC[*:1]
CNC(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 FC(F)(F)C[*:1] CNC(=O)C1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
CNC(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 FC(F)(F)CO[*:1] CNC(=O)C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CNC(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 CNC(=O)[*:1] FC(F)(F)COc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CNC(=O)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 FC(F)(F)[*:1] CNC(=O)C1CC[NH+](CC1)Cc1ccc(cc1)OC[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)Cc1ccccc1Cl CC(=O)C[*:1] O=C(Cc1ccccc1Cl)N1CCCCC[C@@H]1[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)Cc1ccccc1Cl CC(=O)[*:1] O=C(Cc1ccccc1Cl)N1CCCCC[C@@H]1C[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)Cc1ccccc1Cl Clc1ccccc1[*:1] CC(=O)C[C@H]1CCCCCN1C(=O)C[*:1]
Cc1ccc(N2C(=O)c3ccc(C(=O)NCC[NH+]4CCOCC4)cc3C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCOCC1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C([O-])/C=C/C(=O)N(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])/C=C/C(=O)N(c1ccccc1)[*:1]
O=C([O-])/C=C/C(=O)N(c1ccccc1)c1ccccc1 O=C([O-])[*:1] O=C(C=C[*:1])N(c1ccccc1)c1ccccc1
C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(CC1)c1ccccc1[*:1]
CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccccc1)S2 c1ccc(cc1)[*:1] CCc1nnc2S[C@@H](C(=O)N[*:1])[C@H](Nn12)c1ccc(OC)c(Cl)c1
CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccccc1)S2 COc1ccc(cc1Cl)[*:1] CCc1nnc2S[C@@H](C(=O)Nc3ccccc3)[C@@H](Nn12)[*:1]
CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccccc1)S2 O=C(Nc1ccccc1)[*:1] CCc1nnc2S[C@@H]([C@H](Nn12)c1ccc(OC)c(Cl)c1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(CSc1nc2ccccc2cc1Cc1ccccc1)N[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nc2ccccc2cc1C[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nc2ccccc2cc1[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1 CC(=O)N[*:1] O=C(CSc1nc2ccccc2cc1Cc1ccccc1)Nc1cccc(c1)[*:1]
C=CC[NH+](CC=C)[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 O=C([O-])[*:1] C=CC[NH+](CC=C)[C@@H](c1ccc(F)c(C)c1)[*:1]
C=CC[NH+](CC=C)[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 C=CC[*:1] C=CC[NH+]([C@@H](C(=O)[O-])c1ccc(F)c(C)c1)[*:1]
Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccncc1 O=[N+]([O-])[*:1] Cn1c(nnc1-c1ccncc1)SCC(=O)Nc1ccccc1[*:1]
Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccncc1 c1cc(ccn1)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccccc1[N+](=O)[O-]
COc1cc([C@@H](C)NC(=O)N2CCNC(=O)[C@H]2C)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)N1CCNC(=O)[C@H]1C
COc1cc([C@@H](C)NC(=O)N2CCNC(=O)[C@H]2C)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[C@@H](C)NC(=O)N1CCNC(=O)[C@H]1C
O=C(CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1ccc(Br)cc1)[*:1]
CC(=O)Nc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1 CC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])c1cc2cc(Cl)ccc2o1
COc1cccc(CNC(=O)C2=CCN(Cc3cccc(OC)c3)CC2)c1 COc1cccc(c1)C[*:1] COc1cccc(c1)CNC(=O)C1=CCN(CC1)[*:1]
COc1cccc(CNC(=O)C2=CCN(Cc3cccc(OC)c3)CC2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)CN1CC=C(CC1)C(=O)NC[*:1]
COc1cccc(CNC(=O)C2=CCN(Cc3cccc(OC)c3)CC2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)CNC(=O)C1=CCN(CC1)C[*:1]
COc1cccc(CNC(=O)C2=CCN(Cc3cccc(OC)c3)CC2)c1 COc1cccc(c1)C[*:1] COc1cccc(c1)CN1CC=C(CC1)C(=O)N[*:1]
CN/C([O-])=C(\C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] CN/C([O-])=C(\C#N)C(=O)Cc1csc(n1)[*:1]
Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccc(F)c(c1)[*:1]
CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(Cl)c(F)c1 CC(C)[*:1] CC[C@@H]1CN(CC[C@@H]1[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cccc(Cl)n1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)c1cccc(Cl)n1)[*:1]
CCN(C(C)=O)c1nc(-c2nc3c(F)cccc3n2C2CC2)cs1 C1CC1[*:1] CCN(C(C)=O)c1nc(cs1)-c1nc2c(F)cccc2n1[*:1]
CCN(C(C)=O)c1nc(-c2nc3c(F)cccc3n2C2CC2)cs1 CCN(C(C)=O)[*:1] Fc1cccc2c1nc(-c1csc(n1)[*:1])n2C1CC1
C[C@@H]1CC(=O)CCN1C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CC(=O)CCN1C(=O)OC[*:1]
CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N2CCOCC2)cc1 CC(=O)N[*:1] Cc1nn(-c2ccc(cc2)C(=O)N2CCOCC2)c(c1-c1ccccc1)[*:1]
CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N2CCOCC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1c(c(C)nn1-c1ccc(cc1)C(=O)N1CCOCC1)[*:1]
CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(cc1)[*:1]
C[C@@H](CNC(=O)NCc1cc[nH+]c(N(C)C)c1)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@H](CNC(=O)NCc1cc[nH+]c(c1)N(C)C)[*:1]
C[C@@H](CNC(=O)NCc1cc[nH+]c(N(C)C)c1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NCc1cc[nH+]c(c1)N(C)C)N(C)[*:1]
C[C@@H](CNC(=O)NCc1cc[nH+]c(N(C)C)c1)N(C)c1ccccc1 CN(C)[*:1] C[C@@H](CNC(=O)NCc1cc[nH+]c(c1)[*:1])N(C)c1ccccc1
C[C@H](NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 C[C@H](C1CC1)[*:1] O=C(NC[C@H]1CCN(C1)c1ccc(F)c(F)c1)N[*:1]
C[C@H](NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 C1CC1[*:1] C[C@H](NC(=O)NC[C@H]1CCN(C1)c1ccc(F)c(F)c1)[*:1]
O=[N+]([O-])c1ccc(Cl)c(/C=C/c2cnccn2)c1 O=[N+]([O-])[*:1] Clc1ccc(cc1/C=C/c1cnccn1)[*:1]
O=[N+]([O-])c1ccc(Cl)c(/C=C/c2cnccn2)c1 c1cnc(cn1)[*:1] O=[N+]([O-])c1ccc(Cl)c(C=C[*:1])c1
Cc1ccc(C(=O)NC2CC2)cc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 FC(F)(F)c1ccc(cc1)[*:1] Cc1ccc(cc1NCc1nc(no1)[*:1])C(=O)NC1CC1
Cc1ccc(C(=O)NC2CC2)cc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 FC(F)(F)[*:1] Cc1ccc(cc1NCc1nc(no1)-c1ccc(cc1)[*:1])C(=O)NC1CC1
Cc1ccc(C(=O)NC2CC2)cc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 C1CC1[*:1] Cc1ccc(cc1NCc1nc(no1)-c1ccc(cc1)C(F)(F)F)C(=O)N[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 O=C(NC1CC1)[*:1] Cc1ccc(cc1NCc1nc(no1)-c1ccc(cc1)C(F)(F)F)[*:1]
CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)(C)C CC(C)(C)[*:1] CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)[*:1]
CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)(C)C CCC[*:1] Cc1cccc2cc(CN(C[*:1])C(=O)C(C)(C)C)c(=O)[nH]c12
CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)(C)C CCCC[*:1] Cc1cccc2cc(CN(C(=O)C(C)(C)C)[*:1])c(=O)[nH]c12
CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc(F)cc1)C2=O Fc1ccc(cc1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)[*:1])c1cccc(c1)[N+](=O)[O-]
CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc(F)cc1)C2=O O=[N+]([O-])[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)c1ccc(F)cc1)c1cccc(c1)[*:1]
CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc(F)cc1)C2=O O=[N+]([O-])c1cccc(c1)[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC=21)c1ccc(F)cc1)[*:1]
O=C([O-])[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)C[C@H]1CCCCO1 O=C([O-])[*:1] O=C(C[C@H]1CCCCO1)N1[C@H]2CC[C@@H]1[C@@H](C2)[*:1]
O=C([O-])[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)C[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] O=C([O-])[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)C[*:1]
CCn1nc(C(=O)NNC(=O)C(C)(C)CC(C)C)c2ccccc2c1=O CC(C)C[*:1] CCn1nc(C(=O)NNC(=O)C(C)(C)[*:1])c2ccccc2c1=O
CCn1nc(C(=O)NNC(=O)C(C)(C)CC(C)C)c2ccccc2c1=O CC(C)[*:1] CCn1nc(C(=O)NNC(=O)C(C)(C)C[*:1])c2ccccc2c1=O
CCn1nc(C(=O)NNC(=O)C(C)(C)CC(C)C)c2ccccc2c1=O CC(C)CC(C)(C)[*:1] CCn1nc(C(=O)NNC(=O)[*:1])c2ccccc2c1=O
CCC1(CNC(=O)N[C@@H](CO)c2ccco2)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])N[C@@H](CO)c1ccco1
CCC1(CNC(=O)N[C@@H](CO)c2ccco2)CC1 CCC1(CC1)C[*:1] O=C(N[C@@H](CO)c1ccco1)N[*:1]
CCC1(CNC(=O)N[C@@H](CO)c2ccco2)CC1 c1coc(c1)[*:1] CCC1(CC1)CNC(=O)N[C@@H](CO)[*:1]
Cn1cc(S(=O)(=O)/N=C(\[O-])CCc2ccc(Cl)s2)cn1 Clc1ccc(s1)[*:1] Cn1cc(cn1)S(=O)(=O)/N=C(\[O-])CC[*:1]
Cn1cc(S(=O)(=O)/N=C(\[O-])CCc2ccc(Cl)s2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(/N=C(\[O-])CCc1ccc(Cl)s1)[*:1]
C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)C[C@H](c2ccccc2)O1 Fc1cccc(c1F)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)C[*:1]
C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)[*:1])C(=O)Cc1cccc(F)c1F
CCCNC(=O)[C@H](C)S(=O)(=O)Cc1ccccc1 CCC[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1ccccc1
CCCNC(=O)[C@H](C)S(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CCCNC(=O)[C@H](C)S(=O)(=O)C[*:1]
CCCNC(=O)[C@H](C)S(=O)(=O)Cc1ccccc1 CCCNC(=O)[*:1] C[C@H](S(=O)(=O)Cc1ccccc1)[*:1]
O=C(Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21)NC[C@H]1CCCO1 C1CCC(CC1)[*:1] O=C(Cn1c(=O)n(c(=O)c2ccccc21)[*:1])NC[C@H]1CCCO1
Cn1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c(n1)[*:1]
Cn1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c(-c2cccs2)n1 C1CC1[*:1] Cn1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)[*:1])c(n1)-c1cccs1
Cn1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c(-c2cccs2)n1 Clc1ccc(cc1)[*:1] Cn1cc(C[NH2+][C@@H](C2CC2)[*:1])c(n1)-c1cccs1
C[C@@H]([NH3+])[C@H](c1ccco1)[NH+]1C[C@H](C)[C@@H](C)C1 c1coc(c1)[*:1] C[C@@H]([NH3+])[C@H]([NH+]1C[C@H](C)[C@@H](C)C1)[*:1]
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCc2sccc2C1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCc2sccc2C1)[*:1])c1ccc(F)cc1
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCc2sccc2C1 Fc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCc2sccc2C1
O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(O)=Nc2nnc(-c3ccco3)n21 c1coc(c1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(O)=Nc2nnc(n21)[*:1]
O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(O)=Nc2nnc(-c3ccco3)n21 Fc1ccc(cc1Cl)[*:1] O=C(N[*:1])[C@H]1CC(O)=Nc2nnc(-c3ccco3)n21
C[C@@H]1OCC[C@@H]1C(=O)N(C)c1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N(C)c1cccc(c1)[*:1]
CCCOc1ccc(CNC(=O)N(C)CC2CC2)cc1 C1CC1C[*:1] CCCOc1ccc(cc1)CNC(=O)N(C)[*:1]
CCCOc1ccc(CNC(=O)N(C)CC2CC2)cc1 C1CC1[*:1] CCCOc1ccc(cc1)CNC(=O)N(C)C[*:1]
CCCOc1ccc(CNC(=O)N(C)CC2CC2)cc1 CCC[*:1] CN(CC1CC1)C(=O)NCc1ccc(cc1)O[*:1]
CCCOc1ccc(CNC(=O)N(C)CC2CC2)cc1 CCCO[*:1] CN(CC1CC1)C(=O)NCc1ccc(cc1)[*:1]
Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C(C)C CC(C)[*:1] Cc1ccc2c(c1)OCCC[C@H]2[NH2+][*:1]
O=C([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2)cc(C(=O)[O-])c1 Brc1ccc(cc1)[*:1] O=C([O-])c1cc(cc(c1)C(=O)[O-])NS(=O)(=O)[*:1]
O=C([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2)cc(C(=O)[O-])c1 O=C([O-])[*:1] O=C([O-])c1cc(cc(c1)[*:1])NS(=O)(=O)c1ccc(Br)cc1
Cc1ccc(Cl)cc1NC(=O)N(C)Cc1ccccc1F Fc1ccccc1[*:1] Cc1ccc(Cl)cc1NC(=O)N(C)C[*:1]
CCC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CCC(=O)N[*:1] Fc1cc(ccc1Cl)[C@H]1OCC[C@H]1[*:1]
COc1ccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1[*:1])NC(=O)CS[C@H]1CCS(=O)(=O)C1
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)cc1 C=CC[*:1] COc1ccc(cc1)[C@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1[*:1]
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)cc1 Brc1ccc(cc1)[*:1] C=CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(cc1)OC
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)cc1 O=C(c1ccc(Br)cc1)[*:1] C=CCN1C(=O)C([O-])=C([C@@H]1c1ccc(cc1)OC)[*:1]
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@H]1[*:1]
Cc1noc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 Cc1noc(n1)[*:1] O=C(NC[*:1])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
Cc1noc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 Cc1noc(C[*:1])n1 O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
Cc1noc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 Fc1cc(ccc1Cl)[*:1] Cc1noc(CNC(=O)N[C@H]2CCO[C@H]2[*:1])n1
Nc1cnccc1SCc1nc(-c2ccccn2)no1 c1ccc(nc1)[*:1] Nc1cnccc1SCc1nc(no1)[*:1]
COCCN1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1=O COC[*:1] O=C1C[NH+](CCN1C[*:1])Cc1ccc(cc1)C(=O)N1CCCC1
COCCN1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1=O COCC[*:1] O=C(c1ccc(cc1)C[NH+]1CCN(C(=O)C1)[*:1])N1CCCC1
COCCN1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1=O O=C(N1CCCC1)[*:1] COCCN1CC[NH+](CC1=O)Cc1ccc(cc1)[*:1]
CCc1ccc(NC(=O)[C@H](C)CC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)[C@H](C)CC
CCc1ccc(NC(=O)[C@H](C)CC)cc1[N+](=O)[O-] CC[C@@H](C)[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1 CCC[C@@H](C)[*:1] O=C(CC1CCCCC1)NNC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1 C1CCC(CC1)C[*:1] CCC[C@@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)NNC(=O)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1 CCC[C@@H](C)NC(=O)[*:1] O=C(CC1CCCCC1)NNC(=O)N1CCC[C@@H](C1)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1 CCC[*:1] C[C@@H](NC(=O)[C@H]1CCCN(C1)C(=O)NNC(=O)CC1CCCCC1)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1 C1CCC(CC1)[*:1] CCC[C@@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)NNC(=O)C[*:1]
CCc1nc(CCNC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)cs1 CCc1nc(cs1)C[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)NC[*:1]
CCc1nc(CCNC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)cs1 CCc1nc(cs1)[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)NCC[*:1]
CCc1nc(CCNC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)cs1 Cc1nnnn1[*:1] CCc1nc(cs1)CCNC(=O)Nc1ccc(F)c(c1)[*:1]
Cc1cc(C)cc(NC(=O)CNc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)NC(=O)CNc1cccc(c1)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 c1ccc(nc1)[*:1] C[C@H](N(C)C(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] C[C@H](c1ccccn1)N(C)C(=O)c1cccc(c1)[*:1]
O=C(N[C@H]1CCc2c(O)cccc21)C1CC1 C1CC1[*:1] O=C(N[C@H]1CCc2c(O)cccc21)[*:1]
C[C@@H](CO)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 C[C@@H](CO)[*:1] C1CC2(CCO1)C[C@@H](CCO2)[NH2+]C[*:1]
C[C@@H](CO)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 C[C@@H](CO)C[*:1] C1CC2(CCO1)C[C@@H](CCO2)[NH2+][*:1]
Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H](C)n1ccnc1 c1cn(cn1)[*:1] Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H](C)[*:1]
[NH3+]C[C@@H]1CCC[C@@H]1COCc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] [NH3+]C[C@@H]1CCC[C@@H]1COCc1cc(Cl)ccc1[*:1]
N#C[C@@H]1C(=O)N=C2NC(N3CCC4(CC3)OCCO4)=NC([O-])=C2[C@H]1c1ccncc1 c1cc(ccn1)[*:1] N#C[C@@H]1C(=O)N=C2NC(=NC([O-])=C2[C@@H]1[*:1])N1CCC2(CC1)OCCO2
CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C(=O)NCc1cccnc1 CC(C)(C)OC(=O)N[*:1] O=C(NCc1cccnc1)[C@H]1CCCCC[C@@H]1[*:1]
CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C(=O)N[*:1]
CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C(=O)NCc1cccnc1 c1cncc(c1)[*:1] CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C(=O)NC[*:1]
CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C(=O)NCc1cccnc1 CC(C)(C)[*:1] O=C(N[C@H]1CCCCC[C@@H]1C(=O)NCc1cccnc1)O[*:1]
C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)NC2(CCCC2)C1=O Brc1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)NC2(CCCC2)C1=O
O=C(NC1CC1)c1ccc(N2CCO[C@H](c3ccccc3Br)C2)c([N+](=O)[O-])c1 Brc1ccccc1[*:1] O=C(NC1CC1)c1ccc(c(c1)[N+](=O)[O-])N1CCO[C@H](C1)[*:1]
O=C(NC1CC1)c1ccc(N2CCO[C@H](c3ccccc3Br)C2)c([N+](=O)[O-])c1 O=C(NC1CC1)[*:1] O=[N+]([O-])c1cc(ccc1N1CCO[C@@H](C1)c1ccccc1Br)[*:1]
O=C(NC1CC1)c1ccc(N2CCO[C@H](c3ccccc3Br)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC1CC1)c1ccc(c(c1)[*:1])N1CCO[C@@H](C1)c1ccccc1Br
O=C(NC1CC1)c1ccc(N2CCO[C@H](c3ccccc3Br)C2)c([N+](=O)[O-])c1 C1CC1[*:1] O=C(N[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCO[C@@H](C1)c1ccccc1Br
Clc1ccc(-c2nnc(SCC3CC3)o2)cc1 C1CC1CS[*:1] Clc1ccc(cc1)-c1nnc(o1)[*:1]
Clc1ccc(-c2nnc(SCC3CC3)o2)cc1 C1CC1C[*:1] Clc1ccc(cc1)-c1nnc(o1)S[*:1]
Clc1ccc(-c2nnc(SCC3CC3)o2)cc1 C1CC1[*:1] Clc1ccc(cc1)-c1nnc(o1)SC[*:1]
O=C(Nc1sc2c(c1C(=O)NCCCO)CCCC2)c1ccccc1 O=C(NCCCO)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])c1ccccc1
O=C(Nc1sc2c(c1C(=O)NCCCO)CCCC2)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCO)c1c(NC(=O)[*:1])sc2CCCCc21
O=C(Nc1sc2c(c1C(=O)NCCCO)CCCC2)c1ccccc1 OCC[*:1] O=C(Nc1sc2CCCCc2c1C(=O)NC[*:1])c1ccccc1
O=C(Nc1sc2c(c1C(=O)NCCCO)CCCC2)c1ccccc1 OCCC[*:1] O=C(Nc1sc2CCCCc2c1C(=O)N[*:1])c1ccccc1
O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 c1nnnn1[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H](C1)c1nnc(s1)-c1ccccc1F
O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 Fc1ccccc1[*:1] O=C(c1cccc(c1)-n1cnnn1)N1CCC[C@H](C1)c1nnc(s1)[*:1]
CCn1c(SCC(=O)Nc2ccccc2)nc2cc3ccccc3cc2c1=O c1ccc(cc1)[*:1] CCn1c(nc2cc3ccccc3cc2c1=O)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2ccccc2)nc2cc3ccccc3cc2c1=O O=C(Nc1ccccc1)[*:1] CCn1c(nc2cc3ccccc3cc2c1=O)SC[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 O=S(=O)(Nc1nccs1)[*:1] O=C(/C=C/c1ccc2OCOc2c1)Nc1ccc(cc1)[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] O=C(/C=C/c1ccc2OCOc2c1)Nc1ccc(cc1)S(=O)(=O)N[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 c1cc2OCOc2cc1[*:1] O=C(C=C[*:1])Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Cc1cnn(C[C@H]2CCCN2C(=O)C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1cnn(c1)C[C@H]1CCCN1C(=O)[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1cnn(c1)C[C@H]1CCCN1C(=O)C[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)C[C@H]2CCCO2)c1 Cc1cnn(c1)[*:1] O=C(C[C@H]1CCCO1)N1CCC[C@@H]1C[*:1]
N#Cc1ccc(SC(F)(F)C(F)(F)F)c(F)c1 FC(F)(F)[*:1] N#Cc1ccc(SC(F)(F)[*:1])c(F)c1
Cc1cc(F)cc(NCC(=O)NC2CC2)c1 C1CC1[*:1] Cc1cc(F)cc(c1)NCC(=O)N[*:1]
COCc1ccc(CNC(=O)[C@H]2SCCc3sccc32)cc1 COC[*:1] O=C(NCc1ccc(cc1)[*:1])[C@H]1SCCc2sccc21
C[C@@H](Cc1cccs1)N(C)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)NC[C@H]1C[C@@H]1c1ccccc1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)NC[C@H]1C[C@@H]1c1ccccc1
C[C@@H](Cc1cccs1)N(C)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)NC[C@H]1C[C@H]1[*:1]
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCCC2)nc1 N#Cc1ccccc1[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(nc1)N1CCCC1
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(nc1)[*:1]
CC(=O)Nc1nc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cs1 CC(=O)N[*:1] O=C(c1csc(n1)[*:1])N1CC[NH+](CC1)Cc1ccco1
CC(=O)Nc1nc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cs1 c1coc(c1)[*:1] CC(=O)Nc1nc(cs1)C(=O)N1CC[NH+](CC1)C[*:1]
CC(=O)Nc1nc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cs1 c1coc(c1)C[*:1] CC(=O)Nc1nc(cs1)C(=O)N1CC[NH+](CC1)[*:1]
COc1ccc(Cl)cc1C1(CNS(=O)(=O)c2cccs2)CCOCC1 c1csc(c1)[*:1] COc1ccc(Cl)cc1C1(CCOCC1)CNS(=O)(=O)[*:1]
Cc1ccc(CCNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCC[*:1])C(C)(C)C[NH+](C)C
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)[C@H]1COc2ccccc2O1 C1CN(CCO1)[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])[C@H]1COc2ccccc2O1
COc1ccc2c(c1)[C@H]([NH2+]CCCC(=O)NC1CC1)CC2 O=C(NC1CC1)[*:1] COc1ccc2CC[C@@H]([NH2+]CCC[*:1])c2c1
COc1ccc2c(c1)[C@H]([NH2+]CCCC(=O)NC1CC1)CC2 O=C(C[*:1])NC1CC1 COc1ccc2CC[C@@H]([NH2+]CC[*:1])c2c1
COc1ccc2c(c1)[C@H]([NH2+]CCCC(=O)NC1CC1)CC2 C1CC1[*:1] COc1ccc2CC[C@@H]([NH2+]CCCC(=O)N[*:1])c2c1
CC(=O)Nc1cccc(CNC(=O)c2ccccc2-c2cncnc2)c1 c1ncc(cn1)[*:1] CC(=O)Nc1cccc(c1)CNC(=O)c1ccccc1[*:1]
CC(=O)Nc1cccc(CNC(=O)c2ccccc2-c2cncnc2)c1 CC(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])c1ccccc1-c1cncnc1
O=S(=O)(/N=C(\[O-])c1csc(-c2ccc(F)cc2)n1)C1CCCC1 Fc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])c1csc(n1)[*:1])C1CCCC1
O=S(=O)(/N=C(\[O-])c1csc(-c2ccc(F)cc2)n1)C1CCCC1 C1CCC(C1)[*:1] O=S(=O)(/N=C(\[O-])c1csc(n1)-c1ccc(F)cc1)[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)N1CCO[C@H](C)C1 CC[S@](=O)[*:1] C[C@@H]1CN(CCO1)S(=O)(=O)N[C@H]1CCCC[C@@H]1[*:1]
COc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(Cn1nc(ccc1=O)S(=O)(=O)c1cccc(F)c1)N[*:1]
COc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)cc1Cl O=S(=O)(c1cccc(F)c1)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1nc(ccc1=O)[*:1]
COc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)cc1Cl Fc1cccc(c1)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1nc(ccc1=O)S(=O)(=O)[*:1]
CCCN1CCN(C(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)CC1 CCC[*:1] O=C([C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)N1CCN(CC1)[*:1]
CCCN1CCN(C(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)CC1 c1ccc(cc1)C[*:1] CCCN1CCN(CC1)C(=O)[C@H](N1Cc2ccccc2C1=O)[*:1]
CCCN1CCN(C(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)CC1 c1ccc(cc1)[*:1] CCCN1CCN(CC1)C(=O)[C@H](C[*:1])N1Cc2ccccc2C1=O
CC(=C/c1ccccc1)/C=N/NC(=O)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] CC(=C[*:1])/C=N/NC(=O)c1c[nH]c2ccccc12
C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1)O[*:1]
C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNC(=O)[C@@H](C)[*:1])Oc1ccccc1
C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](Oc1ccccc1)C(=O)NC[C@@H](C)[*:1]
C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@@H](C)O[*:1])Oc1ccccc1
CC(=O)CCC1=C(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)CC1(C)C CC(=O)C[*:1] CC1=C(C[*:1])C(C)(C)C[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CC(=O)CCC1=C(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)CC1(C)C CC(=O)[*:1] CC1=C(CC[*:1])C(C)(C)C[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CC(=O)CCC1=C(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)CC1(C)C CC(=O)CC[*:1] CC1=C(C(C)(C)C[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[*:1]
COc1ccc(CNC(=O)N(C)C2CCCCC2)cc1F C1CCC(CC1)[*:1] COc1ccc(cc1F)CNC(=O)N(C)[*:1]
C[NH+](CCOC(F)(F)F)CC(C)(C)O CC(C)(O)[*:1] C[NH+](CCOC(F)(F)F)C[*:1]
C[NH+](CCOC(F)(F)F)CC(C)(C)O FC(F)(F)[*:1] C[NH+](CCO[*:1])CC(C)(C)O
CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Cc1ccc(CO)cc1 CCC[*:1] CN1CCN(C(=O)Cc2ccc(cc2)CO)[C@H](C[*:1])C1=O
CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Cc1ccc(CO)cc1 CCCC[*:1] CN1CCN(C(=O)Cc2ccc(cc2)CO)[C@@H](C1=O)[*:1]
CC[C@H](C(=O)Oc1cccc(C(=O)Nc2ccc(C)cc2)c1)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@H](C(=O)Oc1cccc(c1)C(=O)Nc1ccc(C)cc1)[*:1]
CC[C@H](C(=O)Oc1cccc(C(=O)Nc2ccc(C)cc2)c1)c1c(C)noc1C Cc1ccc(cc1)[*:1] CC[C@H](C(=O)Oc1cccc(c1)C(=O)N[*:1])c1c(C)noc1C
CCCC[C@@H]([NH2+]C1COC1)c1ccc(F)cc1 CCCC[*:1] Fc1ccc(cc1)[C@H]([NH2+]C1COC1)[*:1]
CCCC[C@@H]([NH2+]C1COC1)c1ccc(F)cc1 CCC[*:1] Fc1ccc(cc1)[C@@H](C[*:1])[NH2+]C1COC1
CC(C)c1ocnc1C(=O)N(CC[NH+](C)C)C1CCCC1 C1CCC(C1)[*:1] CC(C)c1ocnc1C(=O)N(CC[NH+](C)C)[*:1]
CC(C)c1ocnc1C(=O)N(CC[NH+](C)C)C1CCCC1 CC(C)[*:1] C[NH+](C)CCN(C(=O)c1ncoc1[*:1])C1CCCC1
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCc1cccc(c1)[*:1]
O=C(CCc1ccc(F)cc1)NC(c1cccs1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(CC[*:1])NC(c1cccs1)c1cccs1
O=C(CCc1ccc(F)cc1)NC(c1cccs1)c1cccs1 c1csc(c1)[*:1] O=C(CCc1ccc(F)cc1)NC(c1cccs1)[*:1]
COc1ccc(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2C)cc1 NC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1C)[*:1]
Cc1nc(C)n([C@@H]2CCCN(C(=O)CNS(C)(=O)=O)C2)n1 Cc1nc(C)n(n1)[*:1] CS(=O)(=O)NCC(=O)N1CCC[C@H](C1)[*:1]
Cc1nc(C)n([C@@H]2CCCN(C(=O)CNS(C)(=O)=O)C2)n1 CS(=O)(=O)NC[*:1] Cc1nc(C)n(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1nc(C)n([C@@H]2CCCN(C(=O)CNS(C)(=O)=O)C2)n1 CS(=O)(=O)N[*:1] Cc1nc(C)n(n1)[C@@H]1CCCN(C1)C(=O)C[*:1]
C=C1C=C[C@H](C(=O)[O-])C(=S)N1 O=C([O-])[*:1] C=C1C=C[C@H](C(=S)N1)[*:1]
C[C@H](NC(=O)c1cc(-c2cccs2)n[nH]1)c1cccc(C#N)c1 c1csc(c1)[*:1] C[C@H](NC(=O)c1cc(n[nH]1)[*:1])c1cccc(C#N)c1
Cc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(=O)[C@@H]21 Cc1ccccc1[*:1] N#CC1=C(N=C2CCCC(=O)[C@@H]2[C@H]1[*:1])SCC(=O)Nc1cccc(Cl)c1
Cc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(=O)[C@@H]21 Clc1cccc(c1)[*:1] Cc1ccccc1[C@H]1C(C#N)=C(N=C2CCCC(=O)[C@@H]21)SCC(=O)N[*:1]
Cc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(=O)[C@@H]21 O=C(Nc1cccc(Cl)c1)[*:1] Cc1ccccc1[C@H]1C(C#N)=C(N=C2CCCC(=O)[C@@H]21)SC[*:1]
CCCN(CC#N)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 N#CC[*:1] CCCN(Cc1cn(C)nc1-c1ccc2OCCCOc2c1)[*:1]
CCCN(CC#N)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 CCC[*:1] Cn1cc(CN(CC#N)[*:1])c(n1)-c1ccc2OCCCOc2c1
CCCN(CC#N)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 CCCN(CC#N)C[*:1] Cn1cc(c(n1)-c1ccc2OCCCOc2c1)[*:1]
CCCN(CC#N)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 CCCN(CC#N)[*:1] Cn1cc(C[*:1])c(n1)-c1ccc2OCCCOc2c1
Cc1ccccc1[C@@H](CC(=O)Nc1ccc2[nH]ncc2c1)NC(N)=O NC(=O)N[*:1] Cc1ccccc1[C@@H](CC(=O)Nc1ccc2[nH]ncc2c1)[*:1]
Cc1ccccc1[C@@H](CC(=O)Nc1ccc2[nH]ncc2c1)NC(N)=O Cc1ccccc1[*:1] NC(=O)N[C@H](CC(=O)Nc1ccc2[nH]ncc2c1)[*:1]
CN(CC1CCCC1)C(=O)Nc1ccc(OCC(N)=O)cc1 NC(=O)C[*:1] CN(CC1CCCC1)C(=O)Nc1ccc(cc1)O[*:1]
CN(CC1CCCC1)C(=O)Nc1ccc(OCC(N)=O)cc1 C1CCC(C1)[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)OCC(N)=O
CN(CC1CCCC1)C(=O)Nc1ccc(OCC(N)=O)cc1 NC(=O)[*:1] CN(CC1CCCC1)C(=O)Nc1ccc(cc1)OC[*:1]
CN(CC1CCCC1)C(=O)Nc1ccc(OCC(N)=O)cc1 C1CCC(C1)C[*:1] CN(C(=O)Nc1ccc(cc1)OCC(N)=O)[*:1]
CN(CC1CCCC1)C(=O)Nc1ccc(OCC(N)=O)cc1 NC(=O)CO[*:1] CN(CC1CCCC1)C(=O)Nc1ccc(cc1)[*:1]
N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1ccccn1 c1nc(cs1)C[*:1] N#C[C@@H](C(=O)c1ccccc1S[*:1])c1ccccn1
N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)[*:1]
N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1ccccn1 c1nc(cs1)CS[*:1] N#C[C@@H](C(=O)c1ccccc1[*:1])c1ccccn1
N#C[C@@H](C(=O)c1ccccc1SCc1cscn1)c1ccccn1 c1nc(cs1)[*:1] N#C[C@@H](C(=O)c1ccccc1SC[*:1])c1ccccn1
N#CCCN(Cc1cccnc1)Cn1nc(-c2ccccc2)oc1=O N#CCC[*:1] O=c1oc(nn1CN(Cc1cccnc1)[*:1])-c1ccccc1
N#CCCN(Cc1cccnc1)Cn1nc(-c2ccccc2)oc1=O c1cncc(c1)[*:1] N#CCCN(Cn1nc(oc1=O)-c1ccccc1)C[*:1]
N#CCCN(Cc1cccnc1)Cn1nc(-c2ccccc2)oc1=O c1ccc(cc1)[*:1] N#CCCN(Cc1cccnc1)Cn1nc(oc1=O)[*:1]
N#CCCN(Cc1cccnc1)Cn1nc(-c2ccccc2)oc1=O c1cncc(c1)C[*:1] N#CCCN(Cn1nc(oc1=O)-c1ccccc1)[*:1]
N#CCCN(Cc1cccnc1)Cn1nc(-c2ccccc2)oc1=O N#CC[*:1] O=c1oc(nn1CN(Cc1cccnc1)C[*:1])-c1ccccc1
Cc1cc(NC(=O)C2CCN(C(=O)c3sc(C)nc3C)CC2)no1 Cc1cc(no1)[*:1] Cc1nc(C)c(s1)C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)c3sc(C)nc3C)CC2)no1 Cc1nc(C)c(s1)[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CCOC(=O)Nc1ccc2c(COC(=O)c3cc(C)no3)cc(=O)oc2c1 CCOC(=O)N[*:1] Cc1cc(on1)C(=O)OCc1cc(=O)oc2cc(ccc12)[*:1]
CCOC(=O)Nc1ccc2c(COC(=O)c3cc(C)no3)cc(=O)oc2c1 Cc1cc(on1)C(=O)O[*:1] CCOC(=O)Nc1ccc2c(cc(=O)oc2c1)C[*:1]
CCOC(=O)Nc1ccc2c(COC(=O)c3cc(C)no3)cc(=O)oc2c1 Cc1cc(on1)[*:1] CCOC(=O)Nc1ccc2c(cc(=O)oc2c1)COC(=O)[*:1]
Cc1cc(C)n2c(=S)n(CN(Cc3ccccc3)CC(F)(F)F)nc2n1 c1ccc(cc1)C[*:1] Cc1cc(C)n2c(=S)n(CN(CC(F)(F)F)[*:1])nc2n1
Cc1cc(C)n2c(=S)n(CN(Cc3ccccc3)CC(F)(F)F)nc2n1 FC(F)(F)C[*:1] Cc1cc(C)n2c(=S)n(CN(Cc3ccccc3)[*:1])nc2n1
Cc1cc(C)n2c(=S)n(CN(Cc3ccccc3)CC(F)(F)F)nc2n1 c1ccc(cc1)[*:1] Cc1cc(C)n2c(=S)n(CN(CC(F)(F)F)C[*:1])nc2n1
Cc1cc(C)n2c(=S)n(CN(Cc3ccccc3)CC(F)(F)F)nc2n1 FC(F)(F)[*:1] Cc1cc(C)n2c(=S)n(CN(Cc3ccccc3)C[*:1])nc2n1
CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc(O)c2)n2nc(SCc3ccccc3F)nc2N1 Fc1ccccc1C[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccnc1)c1cccc(O)c1)S[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc(O)c2)n2nc(SCc3ccccc3F)nc2N1 c1cncc(c1)[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)N[*:1])c1cccc(O)c1)SCc1ccccc1F
CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc(O)c2)n2nc(SCc3ccccc3F)nc2N1 Fc1ccccc1[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccnc1)c1cccc(O)c1)SC[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc(O)c2)n2nc(SCc3ccccc3F)nc2N1 Fc1ccccc1CS[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccnc1)c1cccc(O)c1)[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc(O)c2)n2nc(SCc3ccccc3F)nc2N1 O=C(Nc1cccnc1)[*:1] CC1Nc2nc(nn2[C@H](C=1[*:1])c1cccc(O)c1)SCc1ccccc1F
CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc(O)c2)n2nc(SCc3ccccc3F)nc2N1 Oc1cccc(c1)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)Nc1cccnc1)[*:1])SCc1ccccc1F
CC[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccncc1 O=[N+]([O-])[*:1] CC[C@H](Nc1ncc(cc1Cl)[*:1])c1ccncc1
CC[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](Nc1ncc(cc1Cl)[N+](=O)[O-])[*:1]
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccccc1C)CC2 COCCC(=O)N[*:1] Cc1ccccc1CN1CCc2nnc([C@H](C)[*:1])n2CC1
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccccc1C)CC2 COCCC(=O)N[C@@H](C)[*:1] Cc1ccccc1CN1CCc2nnc(n2CC1)[*:1]
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccccc1C)CC2 Cc1ccccc1C[*:1] COCCC(=O)N[C@@H](C)c1nnc2CCN(CCn21)[*:1]
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccccc1C)CC2 COC[*:1] Cc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)C[*:1])n2CC1
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccccc1C)CC2 COCC[*:1] Cc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)[*:1])n2CC1
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccccc1C)CC2 Cc1ccccc1[*:1] COCCC(=O)N[C@@H](C)c1nnc2CCN(CCn21)C[*:1]
Cc1ccc2nc(/C(C#N)=C/c3ccc(C)s3)[nH]c2c1 Cc1ccc(s1)[*:1] Cc1ccc2nc([nH]c2c1)C(C#N)=C[*:1]
CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 CC(=O)N[*:1] O=C(/C=C/c1ccc(Cl)c(c1)[N+](=O)[O-])c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CC(=O)Nc1cccc(c1)C(=O)/C=C/c1ccc(Cl)c(c1)[*:1]
CCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC3)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CN(C)S(=O)(=O)c1ccc2CCCc2c1
CC(C)NC(=O)Nc1cc(F)ccc1N1CCCCC1 C1CCN(CC1)[*:1] CC(C)NC(=O)Nc1cc(F)ccc1[*:1]
CC(C)NC(=O)Nc1cc(F)ccc1N1CCCCC1 CC(C)[*:1] O=C(Nc1cc(F)ccc1N1CCCCC1)N[*:1]
COC(=O)c1cccc(COc2cc(F)ccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cccc(c1)COc1cc(F)ccc1[*:1]
COC(=O)c1cccc(COc2cc(F)ccc2[N+](=O)[O-])c1 COC(=O)[*:1] O=[N+]([O-])c1ccc(F)cc1OCc1cccc(c1)[*:1]
CCC[NH2+]C[C@@H](O)CSc1cccc(F)c1 CCC[*:1] O[C@H](C[NH2+][*:1])CSc1cccc(F)c1
O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCC(F)(F)F Fc1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])NCC(F)(F)F
O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(Cn1nnc(n1)-c1ccc(F)cc1)N[*:1]
O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCC(F)(F)F FC(F)(F)[*:1] O=C(Cn1nnc(n1)-c1ccc(F)cc1)NC[*:1]
CC(C)NC(=S)N1CCN(c2ccccc2F)CC1 CC(C)[*:1] Fc1ccccc1N1CCN(CC1)C(=S)N[*:1]
CCOc1ccccc1NC(=O)c1nnn(-c2cccc(Cl)c2)c1CC Clc1cccc(c1)[*:1] CCOc1ccccc1NC(=O)c1nnn(c1CC)[*:1]
CCOc1ccccc1NC(=O)c1nnn(-c2cccc(Cl)c2)c1CC CCO[*:1] CCc1c(nnn1-c1cccc(Cl)c1)C(=O)Nc1ccccc1[*:1]
CC[C@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1nccs1 CC(C)(C)[*:1] CC[C@H](NC(=O)c1cc(ccc1F)NC(=O)[*:1])c1nccs1
CC[C@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1nccs1 CC(C)(C)C(=O)N[*:1] CC[C@H](NC(=O)c1cc(ccc1F)[*:1])c1nccs1
CC[C@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)c1cc(ccc1F)NC(=O)C(C)(C)C)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C(=O)N(C)C)ccc1F CN(C)C(=O)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(ccc1F)[*:1]
COC(=O)NCC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1[*:1] COC(=O)NCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)NCC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 COC(=O)NC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl)[*:1]
COC(=O)NCC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 COC(=O)N[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl
CC1CCN(/C(N)=[NH+]/Cc2ccc([S@@](C)=O)cc2)CC1 C[S@@](=O)[*:1] CC1CCN(CC1)/C(N)=[NH+]/Cc1ccc(cc1)[*:1]
CCNC(=O)N1CC[C@H]2CC(=O)N([C@H](C(N)=O)C(C)C)CC[C@H]2C1 CC(C)[C@@H](C(N)=O)[*:1] CCNC(=O)N1CC[C@H]2CC(=O)N(CC[C@H]2C1)[*:1]
CCNC(=O)N1CC[C@H]2CC(=O)N([C@H](C(N)=O)C(C)C)CC[C@H]2C1 CC(C)[*:1] CCNC(=O)N1CC[C@H]2CC(=O)N(CC[C@H]2C1)[C@H](C(N)=O)[*:1]
CCNC(=O)N1CC[C@H]2CC(=O)N([C@H](C(N)=O)C(C)C)CC[C@H]2C1 NC(=O)[*:1] CCNC(=O)N1CC[C@H]2CC(=O)N(CC[C@H]2C1)[C@H](C(C)C)[*:1]
COc1cccc(N2CC[NH+](Cc3cccc(Cn4cccn4)c3)CC2=O)c1 c1cnn(c1)[*:1] COc1cccc(c1)N1CC[NH+](CC1=O)Cc1cccc(c1)C[*:1]
COc1cccc(N2CC[NH+](Cc3cccc(Cn4cccn4)c3)CC2=O)c1 COc1cccc(c1)[*:1] O=C1C[NH+](CCN1[*:1])Cc1cccc(c1)Cn1cccn1
COc1cccc(N2CC[NH+](Cc3cccc(Cn4cccn4)c3)CC2=O)c1 c1cnn(c1)C[*:1] COc1cccc(c1)N1CC[NH+](CC1=O)Cc1cccc(c1)[*:1]
Cc1ccc(-c2noc(C[NH+]3CCC(NC(=O)Nc4ccccc4)CC3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1)NC1CC[NH+](CC1)Cc1nc(no1)[*:1]
Cc1ccc(-c2noc(C[NH+]3CCC(NC(=O)Nc4ccccc4)CC3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(C[NH+]2CCC(CC2)NC(=O)N[*:1])n1
COc1cccc([C@H](CNC(=O)c2ccc(=O)n(C)n2)[NH+](C)C)c1 COc1cccc(c1)[*:1] Cn1nc(ccc1=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
COc1cccc([C@H](CNC(=O)c2ccc(=O)n(C)n2)[NH+](C)C)c1 Cn1nc(ccc1=O)[*:1] COc1cccc(c1)[C@H](CNC(=O)[*:1])[NH+](C)C
Cc1ccc2cc(CN3CC[NH2+][C@H](C(=O)[O-])C3)c(N3CCOCC3)[nH+]c2c1 O=C([O-])[*:1] Cc1ccc2cc(CN3CC[NH2+][C@H](C3)[*:1])c([nH+]c2c1)N1CCOCC1
Cc1ccc2cc(CN3CC[NH2+][C@H](C(=O)[O-])C3)c(N3CCOCC3)[nH+]c2c1 C1CN(CCO1)[*:1] Cc1ccc2cc(CN3CC[NH2+][C@@H](C3)C(=O)[O-])c([nH+]c2c1)[*:1]
O=C(Cc1cnn(-c2ccccc2)c1)N1CCO[C@@H]2CCC[C@H]21 c1ccc(cc1)[*:1] O=C(Cc1cnn(c1)[*:1])N1CCO[C@@H]2CCC[C@H]21
COc1ccccc1N1CCN(C(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)CC1 COc1ccccc1[*:1] O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(CC1)[*:1]
COc1ccc(Nc2nnc(S[C@@H](C(=O)N3CCCC3)C(C)C)s2)cc1 CC(C)[*:1] COc1ccc(cc1)Nc1nnc(S[C@@H](C(=O)N2CCCC2)[*:1])s1
COc1ccc(Nc2nnc(S[C@@H](C(=O)N3CCCC3)C(C)C)s2)cc1 O=C(N1CCCC1)[*:1] COc1ccc(cc1)Nc1nnc(S[C@@H](C(C)C)[*:1])s1
COc1ccc(Nc2nnc(S[C@@H](C(=O)N3CCCC3)C(C)C)s2)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](Sc1nnc(N[*:1])s1)C(=O)N1CCCC1
Cc1ncsc1CC[NH+]1CCC(NC(N)=O)CC1 NC(=O)N[*:1] Cc1ncsc1CC[NH+]1CCC(CC1)[*:1]
Cc1ncsc1CC[NH+]1CCC(NC(N)=O)CC1 Cc1ncsc1[*:1] NC(=O)NC1CC[NH+](CC1)CC[*:1]
C[C@@H]1CCc2n[nH]c(C(=O)NCCC[C@@H]3CCOC3)c2C1 C1C[C@@H](CC[*:1])CO1 C[C@@H]1CCc2n[nH]c(C(=O)NC[*:1])c2C1
C[C@@H]1CCc2n[nH]c(C(=O)NCCC[C@@H]3CCOC3)c2C1 C1C[C@H](CO1)[*:1] C[C@@H]1CCc2n[nH]c(C(=O)NCCC[*:1])c2C1
C[C@@H]1CCc2n[nH]c(C(=O)NCCC[C@@H]3CCOC3)c2C1 C1C[C@H](CO1)C[*:1] C[C@@H]1CCc2n[nH]c(C(=O)NCC[*:1])c2C1
COc1cc([C@@H]2OC(c3cc(C4CC4)nc4ccccc34)=NN2C(C)=O)cc(OC)c1OC C1CC1[*:1] COc1cc(cc(OC)c1OC)[C@@H]1OC(=NN1C(C)=O)c1cc(nc2ccccc12)[*:1]
Cc1ccc(CC(=O)NC[C@@H]2COc3ccccc3O2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])NC[C@@H]1COc2ccccc2O1
C[C@H](NS(=O)(=O)[C@H]1CS(=O)(=O)c2ccccc21)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](NS(=O)(=O)[C@H]1CS(=O)(=O)c2ccccc21)[*:1]
Cn1cc(N2CC[C@H](NC(=O)c3ccccc3Cn3cncn3)C2=O)cn1 Cn1cc(cn1)[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])c1ccccc1Cn1cncn1
Cn1cc(N2CC[C@H](NC(=O)c3ccccc3Cn3cncn3)C2=O)cn1 c1ncn(C[*:1])n1 Cn1cc(cn1)N1CC[C@H](NC(=O)c2ccccc2[*:1])C1=O
Cn1cc(N2CC[C@H](NC(=O)c3ccccc3Cn3cncn3)C2=O)cn1 c1ncn(n1)[*:1] Cn1cc(cn1)N1CC[C@H](NC(=O)c2ccccc2C[*:1])C1=O
Cc1n[nH]c(SCCC(=O)N[C@H]2CCCC[C@H]2C(C)C)n1 CC(C)[*:1] Cc1n[nH]c(n1)SCCC(=O)N[C@H]1CCCC[C@@H]1[*:1]
Cc1n[nH]c(SCCC(=O)N[C@H]2CCCC[C@H]2C(C)C)n1 Cc1n[nH]c(n1)[*:1] CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CCS[*:1]
Cc1n[nH]c(SCCC(=O)N[C@H]2CCCC[C@H]2C(C)C)n1 Cc1n[nH]c(n1)S[*:1] CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CC[*:1]
CN1CCc2nc[nH]c2C12CC[NH+](Cc1cnn(-c3ccccc3F)c1)CC2 Fc1ccccc1[*:1] CN1CCc2nc[nH]c2C12CC[NH+](CC2)Cc1cnn(c1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(N)c3c4c(sc3n2)C[C@@H](C)CC4)cc1 CC(=O)Nc1ccc(cc1)[*:1] C[C@H]1CCc2c(C1)sc1nc(nc(N)c21)S[C@H](C)C(=O)N[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(N)c3c4c(sc3n2)C[C@@H](C)CC4)cc1 CC(=O)N[*:1] C[C@H]1CCc2c(C1)sc1nc(nc(N)c21)S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCCCC3)cc21 C1CCN(CC1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)[N+](=O)[O-])[*:1]
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCCCC3)cc21 O=[N+]([O-])[*:1] Cn1c(=O)n(C)c2cc(c(cc21)N1CCCCC1)[*:1]
C[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 O=C(N1CCCC1)[*:1] C[C@@H]1CCCN(CC1)C(=O)Nc1cccc(c1)[*:1]
C[NH+](C)C1(CNC(=O)COCC[NH3+])CCCCC1 [NH3+]CCO[*:1] C[NH+](C)C1(CCCCC1)CNC(=O)C[*:1]
C[NH+](C)C1(CNC(=O)COCC[NH3+])CCCCC1 [NH3+]CCOC[*:1] C[NH+](C)C1(CCCCC1)CNC(=O)[*:1]
C[NH+](C)C1(CNC(=O)COCC[NH3+])CCCCC1 [NH3+]CC[*:1] C[NH+](C)C1(CCCCC1)CNC(=O)CO[*:1]
CSC[C@@H](C)NC(=O)NCCC(=O)N1CCCC1 CSC[*:1] C[C@@H](NC(=O)NCCC(=O)N1CCCC1)[*:1]
CSC[C@@H](C)NC(=O)NCCC(=O)N1CCCC1 CSC[C@@H](C)[*:1] O=C(NCCC(=O)N1CCCC1)N[*:1]
CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 CCO[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1
CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 CCOc1ccc(cc1)[*:1] O=S(=O)(c1ccc2OCCCOc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
CSc1nc(N2CCCC2)c2c3c(sc2n1)COC(C)(C)C3 C1CCN(C1)[*:1] CSc1nc(c2c3CC(C)(C)OCc3sc2n1)[*:1]
COC(=O)[C@H]1CN(Cc2cnc(C3CCCC3)s2)CCO1 C1CCC(C1)[*:1] COC(=O)[C@H]1CN(CCO1)Cc1cnc(s1)[*:1]
COC(=O)[C@H]1CN(Cc2cnc(C3CCCC3)s2)CCO1 COC(=O)[*:1] c1nc(sc1CN1CCO[C@H](C1)[*:1])C1CCCC1
Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1ccccc1NS(=O)(=O)c1ccccc1
Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1ccccc1NS(=O)(=O)[*:1]
O=C(CSc1ccc2ccccc2n1)NCc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] O=C(CSc1ccc2ccccc2n1)NCc1ccc(cc1)[*:1]
COC[C@@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1 Clc1cc(Cl)cc(c1)[*:1] COC[C@@H](NC(=O)C[C@@H](O)[*:1])c1ccccc1
COC[C@@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1 COC[*:1] O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H](c1ccccc1)[*:1]
COC[C@@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@H](C)COc1ccc(F)cc1F C[C@H](O)C[*:1] C[C@H](COc1ccc(F)cc1F)NC(=O)N(C)[*:1]
C[C@H](O)CN(C)C(=O)N[C@H](C)COc1ccc(F)cc1F C[C@H](O)[*:1] C[C@H](COc1ccc(F)cc1F)NC(=O)N(C)C[*:1]
COc1ccc([C@H]2CCCN2C(=O)CCOC(C)C)cc1OC CC(C)OC[*:1] COc1ccc(cc1OC)[C@H]1CCCN1C(=O)C[*:1]
COc1ccc([C@H]2CCCN2C(=O)CCOC(C)C)cc1OC CC(C)O[*:1] COc1ccc(cc1OC)[C@H]1CCCN1C(=O)CC[*:1]
COc1ccc([C@H]2CCCN2C(=O)CCOC(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)[C@H]1CCCN1C(=O)CCO[*:1]
COc1ccc([C@H]2CCCN2C(=O)CCOC(C)C)cc1OC CC(C)OCC[*:1] COc1ccc(cc1OC)[C@H]1CCCN1C(=O)[*:1]
Cc1ccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1F Brc1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)Cn1nc(ccc1=O)[*:1]
Cc1ccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1F Cc1ccc(cc1F)[*:1] O=C(Cn1nc(ccc1=O)-c1ccc(Br)cc1)N[*:1]
[NH3+][C@H]1CCCCN(C(=O)CCc2n[nH]c(Cl)n2)C1 Clc1nc(n[nH]1)[*:1] [NH3+][C@H]1CCCCN(C1)C(=O)CC[*:1]
CCOC(=O)C1=C(C)C(C(=O)N2CCC[C@H](C(F)(F)F)C2)=N[C@H]1C FC(F)(F)[*:1] CCOC(=O)C1=C(C)C(=N[C@H]1C)C(=O)N1CCC[C@H](C1)[*:1]
CCOC(=O)C1=C(C)C(C(=O)N2CCC[C@H](C(F)(F)F)C2)=N[C@H]1C CCOC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)N1CCC[C@@H](C1)C(F)(F)F
O=C(COc1ccc([N+](=O)[O-])cc1)OC[C@@H]1CC=CCC1 O=[N+]([O-])[*:1] O=C(COc1ccc(cc1)[*:1])OC[C@@H]1CC=CCC1
O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)cc(Cl)c1)[C@@H](c1ccc(F)cc1)N1CCCN21 Clc1cc(Cl)cc(c1)[*:1] O=C1[C@@H]2[C@H](C(=O)N1[*:1])[C@@H](c1ccc(F)cc1)N1CCCN21
O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)cc(Cl)c1)[C@@H](c1ccc(F)cc1)N1CCCN21 Fc1ccc(cc1)[*:1] O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)cc(Cl)c1)[C@@H](N1CCCN21)[*:1]
CCNS(=O)(=O)c1cc(/C=C/C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1OC CCNS(=O)(=O)[*:1] COc1ccc(/C=C/C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[*:1]
Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)[C@@H](C(C)C)N3CCCC3=O)cc2Cl)n1 Cc1cc(C)n(n1)[*:1] CC(C)[C@H](C(=O)Nc1ccc(NC(=O)[C@@H](C)[*:1])c(Cl)c1)N1CCCC1=O
Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)[C@@H](C(C)C)N3CCCC3=O)cc2Cl)n1 O=C1CCCN1[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)Nc1ccc(cc1Cl)NC(=O)[C@@H](C(C)C)[*:1]
Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)[C@@H](C(C)C)N3CCCC3=O)cc2Cl)n1 CC(C)[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)Nc1ccc(cc1Cl)NC(=O)[C@@H](N1CCCC1=O)[*:1]
CCC[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)COC2 CCC[C@H](O)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2COCc2c1
CCC[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)COC2 CCC[*:1] O=C(NC[C@@H](O)[*:1])C(=O)Nc1ccc2COCc2c1
CCC[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)COC2 CCC[C@H](O)C[*:1] O=C(Nc1ccc2COCc2c1)C(=O)N[*:1]
Cc1cccc(CNC(Nc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 c1ccc(cc1)N[*:1] Cc1cccc(c1)CNC(=C1C(=O)N(C)C(=O)N(C)C1=O)[*:1]
Cc1cccc(CNC(Nc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 Cc1cccc(c1)CN[*:1] CN1C(=O)C(C(=O)N(C)C1=O)=C(Nc1ccccc1)[*:1]
Cc1cccc(CNC(Nc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CNC(N[*:1])=C1C(=O)N(C)C(=O)N(C)C1=O
Cc1cccc(CNC(Nc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 Cc1cccc(c1)C[*:1] CN1C(=O)C(C(=O)N(C)C1=O)=C(Nc1ccccc1)N[*:1]
Cc1cccc(CNC(Nc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 Cc1cccc(c1)[*:1] CN1C(=O)C(C(=O)N(C)C1=O)=C(NC[*:1])Nc1ccccc1
O=C([O-])c1ccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1 O=C([O-])[*:1] O=C([O-])c1cc(cc(c1)C(F)(F)F)-c1ccc(cc1)[*:1]
O=C([O-])c1ccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] O=C([O-])c1ccc(cc1)-c1cc(cc(c1)[*:1])C(=O)[O-]
O=C([O-])c1ccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1 O=C([O-])[*:1] O=C([O-])c1ccc(cc1)-c1cc(cc(c1)[*:1])C(F)(F)F
C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H](C)c1ccc2OCCOc2c1)C(=O)N[*:1]
CC(C)(C)c1nnc(S[C@@H]2C=CCCC2)o1 CC(C)(C)[*:1] C1=C[C@H](CCC1)Sc1nnc(o1)[*:1]
O=C(NCc1ccncc1)c1cn(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nn1 c1cc(ccn1)[*:1] O=C(NC[*:1])c1cn(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nn1
O=C(NCc1ccncc1)c1cn(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nn1 O=C(NCc1ccncc1)[*:1] O=C(NCCn1cc(nn1)[*:1])C12CC3CC(CC(C3)C1)C2
O=C(NCc1ccncc1)c1cn(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nn1 c1cc(ccn1)C[*:1] O=C(N[*:1])c1cn(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nn1
Cc1cc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2cc1C Fc1ccccc1[*:1] Cc1cc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)[*:1])c(=O)[nH]c2cc1C
CC[C@@H](CCO)C[NH2+][C@@H]1CCN(C2CC2)C1 C1CC1[*:1] CC[C@@H](CCO)C[NH2+][C@@H]1CCN(C1)[*:1]
CC[C@@H](CCO)C[NH2+][C@@H]1CCN(C2CC2)C1 OCC[*:1] CC[C@@H](C[NH2+][C@@H]1CCN(C1)C1CC1)[*:1]
CCc1c(C(=O)N2CC[C@@H](C(=O)OC)c3ccccc32)cnn1CC(C)C COC(=O)[*:1] CCc1c(cnn1CC(C)C)C(=O)N1CC[C@@H](c2ccccc21)[*:1]
CCc1c(C(=O)N2CC[C@@H](C(=O)OC)c3ccccc32)cnn1CC(C)C CC(C)[*:1] CCc1c(cnn1C[*:1])C(=O)N1CC[C@@H](C(=O)OC)c2ccccc21
CCc1c(C(=O)N2CC[C@@H](C(=O)OC)c3ccccc32)cnn1CC(C)C CC(C)C[*:1] CCc1c(cnn1[*:1])C(=O)N1CC[C@@H](C(=O)OC)c2ccccc21
Cc1nnc2ccc(N(C)CCCOc3ccccc3)nn12 c1ccc(cc1)[*:1] Cc1nnc2ccc(nn12)N(C)CCCO[*:1]
Cc1nnc2ccc(N(C)CCCOc3ccccc3)nn12 c1ccc(cc1)O[*:1] Cc1nnc2ccc(nn12)N(C)CCC[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)c2sccc2Cl)CC1 COC[*:1] O=C(c1sccc1Cl)N1CCC(CC1)c1[nH+]ccn1C[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)c2sccc2Cl)CC1 COCC[*:1] O=C(c1sccc1Cl)N1CCC(CC1)c1[nH+]ccn1[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)c2sccc2Cl)CC1 Clc1ccsc1[*:1] COCCn1cc[nH+]c1C1CCN(CC1)C(=O)[*:1]
CC1CC[NH+](CCCNC(=O)c2cc(C3CC3)on2)CC1 C1CC1[*:1] CC1CC[NH+](CCCNC(=O)c2cc(on2)[*:1])CC1
Cc1nnnn1CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 Fc1ccc(cc1)C[*:1] Cc1nnnn1CC(=O)N1CCC(=O)N([C@H](C1)C(C)C)[*:1]
Cc1nnnn1CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 Fc1ccc(cc1)[*:1] Cc1nnnn1CC(=O)N1CCC(=O)N(C[*:1])[C@H](C1)C(C)C
Cc1nnnn1CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 Cc1nnnn1C[*:1] CC(C)[C@H]1CN(CCC(=O)N1Cc1ccc(F)cc1)C(=O)[*:1]
Cc1nnnn1CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 CC(C)[*:1] Cc1nnnn1CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C1)[*:1]
Cc1nnnn1CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 Cc1nnnn1[*:1] CC(C)[C@H]1CN(CCC(=O)N1Cc1ccc(F)cc1)C(=O)C[*:1]
CC[NH+](CC)CCNC(=O)N[C@H](C)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[NH+](CC)CCNC(=O)N[C@H](C)[*:1]
COC[C@@H](O)CNc1cc(C)c(N)c(C(=O)OC)c1 COC[C@@H](O)C[*:1] COC(=O)c1cc(cc(C)c1N)N[*:1]
COC[C@@H](O)CNc1cc(C)c(N)c(C(=O)OC)c1 COC(=O)[*:1] COC[C@@H](O)CNc1cc(C)c(N)c(c1)[*:1]
COC[C@@H](O)CNc1cc(C)c(N)c(C(=O)OC)c1 COC[C@@H](O)[*:1] COC(=O)c1cc(cc(C)c1N)NC[*:1]
COC[C@@H](O)CNc1cc(C)c(N)c(C(=O)OC)c1 COC[*:1] COC(=O)c1cc(cc(C)c1N)NC[C@H](O)[*:1]
FC(F)(F)Oc1ccc(CN[C@@H](c2ccccc2)c2cc[nH+]cc2)cc1 FC(F)(F)[*:1] c1ccc(cc1)[C@H](NCc1ccc(cc1)O[*:1])c1cc[nH+]cc1
FC(F)(F)Oc1ccc(CN[C@@H](c2ccccc2)c2cc[nH+]cc2)cc1 FC(F)(F)O[*:1] c1ccc(cc1)[C@H](NCc1ccc(cc1)[*:1])c1cc[nH+]cc1
FC(F)(F)Oc1ccc(CN[C@@H](c2ccccc2)c2cc[nH+]cc2)cc1 c1ccc(cc1)[*:1] FC(F)(F)Oc1ccc(cc1)CN[C@@H](c1cc[nH+]cc1)[*:1]
COc1ccc2c(c1)CCCN2C(=O)C[NH+]1CCCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] COc1ccc2c(c1)CCCN2C(=O)C[NH+]1CCCN(CC1)[*:1]
COc1ccc2c(c1)CCCN2C(=O)C[NH+]1CCCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] COc1ccc2c(c1)CCCN2C(=O)C[NH+]1CCCN(CC1)C[*:1]
CCNc1nc(C)c(C(=O)N(C)Cc2nc(CC)no2)s1 CCc1noc(n1)[*:1] CCNc1nc(C)c(s1)C(=O)N(C)C[*:1]
CCNc1nc(C)c(C(=O)N(C)Cc2nc(CC)no2)s1 CCN[*:1] CCc1noc(CN(C)C(=O)c2sc(nc2C)[*:1])n1
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3ccccc3Cl)n2)cc1 CC(=O)N[*:1] C[C@@H](Sc1ccccc1Cl)C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3ccccc3Cl)n2)cc1 Clc1ccccc1S[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)[C@@H](C)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3ccccc3Cl)n2)cc1 Clc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)[C@@H](C)S[*:1]
COCCNC(=S)NC(=O)/C=C/c1ccc(C)cc1 COCC[*:1] Cc1ccc(/C=C/C(=O)NC(=S)N[*:1])cc1
COCCNC(=S)NC(=O)/C=C/c1ccc(C)cc1 COC[*:1] Cc1ccc(/C=C/C(=O)NC(=S)NC[*:1])cc1
O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C([C@H]1COc2ccccc2O1)N1CCN(CC1)[*:1]
COC(=O)c1cc(C(=O)N[C@H]2CCOc3ccccc32)ccn1 COC(=O)[*:1] O=C(N[C@H]1CCOc2ccccc21)c1ccnc(c1)[*:1]
O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1F Brc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])c1ccccc1F
O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1F Fc1ccccc1[*:1] O=C(CSc1nnc(o1)-c1ccc(Br)cc1)[*:1]
COc1cc(/C=C2\NC(=S)NC2=O)ccc1OCc1ccccc1Cl O=C1NC(=S)NC1=C[*:1] COc1cc(ccc1OCc1ccccc1Cl)[*:1]
COc1cc(/C=C2\NC(=S)NC2=O)ccc1OCc1ccccc1Cl Clc1ccccc1[*:1] COc1cc(/C=C2\NC(=S)NC2=O)ccc1OC[*:1]
COc1cc(/C=C2\NC(=S)NC2=O)ccc1OCc1ccccc1Cl Clc1ccccc1C[*:1] COc1cc(/C=C2\NC(=S)NC2=O)ccc1O[*:1]
C[C@H]1[C@H](C)CCCN1C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H]1[C@H](C)CCCN1C(=O)NC[C@@H](C)c1nc(no1)[*:1]
CCN(c1nc(Br)cs1)C1CC1 C1CC1[*:1] CCN(c1nc(Br)cs1)[*:1]
Cc1cc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)n2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H]([NH2+]Cc1cnn(n1)-c1ccccc1)[*:1]
Cc1cc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)n2)c(C)s1 c1ccc(cc1)[*:1] Cc1cc(c(C)s1)[C@@H](C)[NH2+]Cc1cnn(n1)[*:1]
COc1nn(C)cc1C(=O)Nc1nc2c(cc3c4c(cccc42)CC3)s1 COc1nn(C)cc1[*:1] O=C(Nc1nc2c(cc3CCc4cccc2c43)s1)[*:1]
COc1ccc(C(=O)N[C@@H](C)[C@H]2NN[C@H](SCc3nc4ccccc4c(=O)[nH]3)N2C)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])[C@H]1NN[C@H](SCc2nc3ccccc3c(=O)[nH]2)N1C
O=C(NCCc1nnc2n1CCC2)N1CCN(c2nccs2)CC1 C1Cc2nnc(n2C1)[*:1] O=C(NCC[*:1])N1CCN(CC1)c1nccs1
O=C(NCCc1nnc2n1CCC2)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] O=C(NCCc1nnc2CCCn21)N1CCN(CC1)[*:1]
Cc1c(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)sc2nc(-c3cccs3)cn12 FC(F)(F)[*:1] Cc1c(CNS(=O)(=O)c2ccc(cc2)O[*:1])sc2nc(cn12)-c1cccs1
Cc1c(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)sc2nc(-c3cccs3)cn12 c1csc(c1)[*:1] Cc1c(CNS(=O)(=O)c2ccc(cc2)OC(F)(F)F)sc2nc(cn12)[*:1]
Cc1c(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)sc2nc(-c3cccs3)cn12 FC(F)(F)O[*:1] Cc1c(CNS(=O)(=O)c2ccc(cc2)[*:1])sc2nc(cn12)-c1cccs1
C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1csc(Cc2ccc(Cl)cc2)n1 C1CC1[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1csc(Cc2ccc(Cl)cc2)n1
C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1csc(Cc2ccc(Cl)cc2)n1 O=C(NC1CC1)[*:1] C[C@H](S(=O)(=O)Cc1csc(Cc2ccc(Cl)cc2)n1)[*:1]
C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1csc(Cc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1csc(C[*:1])n1
C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1csc(Cc2ccc(Cl)cc2)n1 Clc1ccc(cc1)C[*:1] C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1csc(n1)[*:1]
CC(C)Nc1ncnc2sc3c(c12)CCCC3 CC(C)N[*:1] c1nc(c2c3CCCCc3sc2n1)[*:1]
CC(C)Nc1ncnc2sc3c(c12)CCCC3 CC(C)[*:1] c1nc(N[*:1])c2c3CCCCc3sc2n1
C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 CN(C)S(=O)(=O)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)c1ccc(Cl)c(c1)[*:1]
Cc1ccc(-c2ncc(CN3CCN(C(=O)[C@@H](C)O)CC3)s2)o1 Cc1ccc(o1)[*:1] C[C@@H](O)C(=O)N1CCN(CC1)Cc1cnc(s1)[*:1]
Cc1ccc(-c2ncc(CN3CCN(C(=O)[C@@H](C)O)CC3)s2)o1 C[C@@H](O)[*:1] Cc1ccc(o1)-c1ncc(CN2CCN(CC2)C(=O)[*:1])s1
O=C([O-])CNC(=O)Nc1cccc2c1CCCC2 O=C([O-])[*:1] O=C(NC[*:1])Nc1cccc2CCCCc21
O=C([O-])CNC(=O)Nc1cccc2c1CCCC2 O=C([O-])C[*:1] O=C(Nc1cccc2CCCCc21)N[*:1]
CN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccc(cc1)[*:1]
COc1ccc(-c2nc(NC3CC[NH2+]CC3)cc(-c3ccncc3)n2)cc1 COc1ccc(cc1)[*:1] c1cc(ccn1)-c1cc(nc(n1)[*:1])NC1CC[NH2+]CC1
COc1ccc(-c2nc(NC3CC[NH2+]CC3)cc(-c3ccncc3)n2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-c1nc(cc(n1)[*:1])NC1CC[NH2+]CC1
CNC(=O)CNc1ccc([N+](=O)[O-])c(N)n1 CNC(=O)C[*:1] Nc1nc(ccc1[N+](=O)[O-])N[*:1]
CNC(=O)CNc1ccc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] CNC(=O)CNc1ccc(c(N)n1)[*:1]
CNC(=O)CNc1ccc([N+](=O)[O-])c(N)n1 CNC(=O)[*:1] Nc1nc(ccc1[N+](=O)[O-])NC[*:1]
CCCC[NH+](CC)Cn1nc(-c2cccs2)[nH]c1=S CCC[*:1] CC[NH+](Cn1nc([nH]c1=S)-c1cccs1)C[*:1]
CCCC[NH+](CC)Cn1nc(-c2cccs2)[nH]c1=S CCCC[*:1] CC[NH+](Cn1nc([nH]c1=S)-c1cccs1)[*:1]
CCCC[NH+](CC)Cn1nc(-c2cccs2)[nH]c1=S c1csc(c1)[*:1] CCCC[NH+](CC)Cn1nc([nH]c1=S)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N1CCC(Nc2ccccc2)CC1 c1ccc(cc1)N[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC1)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N1CCC(Nc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC1)N[*:1]
C/C(=N\NC(=O)CSCc1ccccc1Br)c1cccc([N+](=O)[O-])c1 Brc1ccccc1[*:1] C/C(=N\NC(=O)CSC[*:1])c1cccc(c1)[N+](=O)[O-]
C/C(=N\NC(=O)CSCc1ccccc1Br)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)CSCc1ccccc1Br)c1cccc(c1)[*:1]
C/C(=N\NC(=O)CSCc1ccccc1Br)c1cccc([N+](=O)[O-])c1 Brc1ccccc1C[*:1] C/C(=N\NC(=O)CS[*:1])c1cccc(c1)[N+](=O)[O-]
COc1ccc(OC(=O)c2ccc(-c3nc(C)no3)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OC(=O)c2ccc(cc2)-c2nc(C)no2)c(c1)[*:1]
COc1ccc(OC(=O)c2ccc(-c3nc(C)no3)cc2)c([N+](=O)[O-])c1 Cc1noc(n1)[*:1] COc1ccc(OC(=O)c2ccc(cc2)[*:1])c(c1)[N+](=O)[O-]
CC[C@@H](C(=O)OC)N(C(=O)[C@@H]1C[C@@H]1C)c1ccccc1 COC(=O)[*:1] CC[C@@H](N(C(=O)[C@@H]1C[C@@H]1C)c1ccccc1)[*:1]
CC[C@@H](C(=O)OC)N(C(=O)[C@@H]1C[C@@H]1C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)OC)N(C(=O)[C@@H]1C[C@@H]1C)[*:1]
Cc1nn(Cc2cccc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)c(C)c1Cl c1ccc(cc1)[*:1] Cc1nn(Cc2cccc(c2)C(=O)Nc2nc(cs2)[*:1])c(C)c1Cl
Cc1nn(Cc2cccc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)c(C)c1Cl Cc1nn(C[*:1])c(C)c1Cl O=C(Nc1nc(cs1)-c1ccccc1)c1cccc(c1)[*:1]
Cc1nn(Cc2cccc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] O=C(Nc1nc(cs1)-c1ccccc1)c1cccc(c1)C[*:1]
C[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]
C[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1ccc(cc1Cl)[*:1]
C[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl c1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])[*:1]
O=C([O-])c1ccc(-c2ccc(Cl)c3ccccc23)o1 O=C([O-])[*:1] Clc1ccc(-c2ccc(o2)[*:1])c2ccccc12
O=C(Nc1ccnn1Cc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2O1 Clc1ccc(cc1)C[*:1] O=C(Nc1ccnn1[*:1])[C@@H]1Cc2ccccc2O1
O=C(Nc1ccnn1Cc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2O1 Clc1ccc(cc1)[*:1] O=C(Nc1ccnn1C[*:1])[C@@H]1Cc2ccccc2O1
Cc1cccc(OCCCC(=O)N2CCO[C@@H](c3nc(-c4ccccn4)no3)C2)c1C Cc1cccc(c1C)[*:1] O=C(CCCO[*:1])N1CCO[C@H](C1)c1nc(no1)-c1ccccn1
Cc1cccc(OCCCC(=O)N2CCO[C@@H](c3nc(-c4ccccn4)no3)C2)c1C c1ccc(nc1)[*:1] Cc1cccc(OCCCC(=O)N2CCO[C@H](C2)c2nc(no2)[*:1])c1C
Cc1cccc(OCCCC(=O)N2CCO[C@@H](c3nc(-c4ccccn4)no3)C2)c1C Cc1cccc(OC[*:1])c1C O=C(CC[*:1])N1CCO[C@H](C1)c1nc(no1)-c1ccccn1
Cc1cccc(OCCCC(=O)N2CCO[C@@H](c3nc(-c4ccccn4)no3)C2)c1C Cc1cccc(O[*:1])c1C O=C(CCC[*:1])N1CCO[C@H](C1)c1nc(no1)-c1ccccn1
CC(C)Oc1cccc([C@H](O)CNC(=O)C2=Cc3ccccc3OC2)c1 CC(C)[*:1] O=C(NC[C@@H](O)c1cccc(c1)O[*:1])C1=Cc2ccccc2OC1
CC(C)Oc1cccc([C@H](O)CNC(=O)C2=Cc3ccccc3OC2)c1 CC(C)O[*:1] O=C(NC[C@@H](O)c1cccc(c1)[*:1])C1=Cc2ccccc2OC1
FC(F)(F)C1=c2ccccc2=[NH+]C1 FC(F)(F)[*:1] c1ccc2=C(C[NH+]=c2c1)[*:1]
Cc1ccc([C@H]2C[C@@H]2C(=O)NCc2cc(N(C)C)[nH+]c3ccccc23)s1 CN(C)[*:1] Cc1ccc(s1)[C@H]1C[C@@H]1C(=O)NCc1cc([nH+]c2ccccc12)[*:1]
Cc1ccc([C@H]2C[C@@H]2C(=O)NCc2cc(N(C)C)[nH+]c3ccccc23)s1 Cc1ccc(s1)[*:1] CN(C)c1cc(CNC(=O)[C@H]2C[C@@H]2[*:1])c2ccccc2[nH+]1
COC(=O)c1cc(S(=O)(=O)NCC[NH+]2CCCCCC2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])S(=O)(=O)NCC[NH+]1CCCCCC1
CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)cc1 CSc1ccc(cc1)[*:1] O=C([C@@H]1CCCN(Cc2cnc(s2)N2CCCC2)C1)[*:1]
CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)cc1 C1CCN(C1)[*:1] CSc1ccc(cc1)C(=O)[C@@H]1CCCN(Cc2cnc(s2)[*:1])C1
Cn1c(Cc2cccs2)nnc1SCC(=O)c1ccccc1 c1csc(c1)C[*:1] Cn1c(nnc1[*:1])SCC(=O)c1ccccc1
Cn1c(Cc2cccs2)nnc1SCC(=O)c1ccccc1 c1csc(c1)[*:1] Cn1c(C[*:1])nnc1SCC(=O)c1ccccc1
Cn1c(Cc2cccs2)nnc1SCC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cn1c(Cc2cccs2)nnc1SCC(=O)[*:1]
Cc1[nH+]ccn1CCCC(=O)N[C@H](CO)c1ccccc1F Fc1ccccc1[*:1] Cc1[nH+]ccn1CCCC(=O)N[C@H](CO)[*:1]
COCCNC(=O)[C@H](C)[NH2+]CC(C)C COCC[*:1] CC(C)C[NH2+][C@@H](C)C(=O)N[*:1]
COCCNC(=O)[C@H](C)[NH2+]CC(C)C CC(C)[*:1] COCCNC(=O)[C@H](C)[NH2+]C[*:1]
COCCNC(=O)[C@H](C)[NH2+]CC(C)C CC(C)C[*:1] COCCNC(=O)[C@H](C)[NH2+][*:1]
COCCNC(=O)[C@H](C)[NH2+]CC(C)C COC[*:1] CC(C)C[NH2+][C@@H](C)C(=O)NC[*:1]
COC(=O)[C@H](C)[C@H](NC(=O)c1cnc(C)cn1)c1ccccc1 COC(=O)[*:1] Cc1cnc(cn1)C(=O)N[C@H](c1ccccc1)[C@@H](C)[*:1]
COC(=O)[C@H](C)[C@H](NC(=O)c1cnc(C)cn1)c1ccccc1 Cc1cnc(cn1)[*:1] COC(=O)[C@H](C)[C@H](NC(=O)[*:1])c1ccccc1
COC(=O)[C@H](C)[C@H](NC(=O)c1cnc(C)cn1)c1ccccc1 COC(=O)[C@H](C)[*:1] Cc1cnc(cn1)C(=O)N[C@H](c1ccccc1)[*:1]
COC(=O)[C@H](C)[C@H](NC(=O)c1cnc(C)cn1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)[C@H](NC(=O)c1cnc(C)cn1)[*:1]
CCc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)c1ccc(C)c(c1)[*:1]
CCCC[NH2+]Cc1ccccc1C1CC1 C1CC1[*:1] CCCC[NH2+]Cc1ccccc1[*:1]
CCCC[NH2+]Cc1ccccc1C1CC1 CCCC[*:1] c1ccc(c(c1)C[NH2+][*:1])C1CC1
CCCC[NH2+]Cc1ccccc1C1CC1 CCC[*:1] c1ccc(c(c1)C[NH2+]C[*:1])C1CC1
COCCn1cnnc1SC[C@@H](O)c1ccc(Cl)cc1 COCC[*:1] O[C@H](CSc1nncn1[*:1])c1ccc(Cl)cc1
COCCn1cnnc1SC[C@@H](O)c1ccc(Cl)cc1 COC[*:1] O[C@H](CSc1nncn1C[*:1])c1ccc(Cl)cc1
Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] Cc1cc(no1)NC(=O)[C@@H](C)SCC(=O)Nc1cccc(c1)[*:1]
Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cccc(C(F)(F)F)c2)no1 Cc1cc(no1)[*:1] C[C@@H](SCC(=O)Nc1cccc(c1)C(F)(F)F)C(=O)N[*:1]
C[C@H](Cc1ccsc1)[NH2+]C[C@@H](C)Oc1ccccc1 c1cc(cs1)[*:1] C[C@H](C[*:1])[NH2+]C[C@@H](C)Oc1ccccc1
C[C@H](Cc1ccsc1)[NH2+]C[C@@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cc1ccsc1)[NH2+]C[C@@H](C)O[*:1]
C[C@H](Cc1ccsc1)[NH2+]C[C@@H](C)Oc1ccccc1 c1cc(cs1)C[*:1] C[C@H](C[NH2+][C@@H](C)[*:1])Oc1ccccc1
CON(C)C(=O)c1ccccc1NC(=O)CCCn1c(=O)oc2ccccc21 CON(C)C(=O)[*:1] O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1[*:1]
C(=N/Nc1nc2ccccc2o1)\c1cccnc1 c1cncc(c1)[*:1] C(=NNc1nc2ccccc2o1)[*:1]
COc1ccc([C@@H](CNC(=O)c2cc(OC)ccc2Br)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] COc1ccc(Br)c(c1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
COC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] COC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 COC[C@@](C)(O)C[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
COC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 COC[*:1] C[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(C1)c1ccc(F)cc1)[*:1]
O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CC(=O)N(C1)C[*:1])c1ccccc1
O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])c1ccccc1
O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](CN1Cc1ccccc1)NC(=O)[*:1]
CC(C)[NH2+]Cc1c(O[C@H](C)[C@@H](C)O)ccc2ccccc12 C[C@@H](O)[*:1] CC(C)[NH2+]Cc1c(ccc2ccccc12)O[C@H](C)[*:1]
CC(C)[NH2+]Cc1c(O[C@H](C)[C@@H](C)O)ccc2ccccc12 CC(C)[*:1] C[C@@H](O)[C@@H](C)Oc1ccc2ccccc2c1C[NH2+][*:1]
CCc1cnc(CN(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)s1 CCc1cnc(s1)[*:1] CN(C[*:1])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)O[*:1]
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccccc1 O=[N+]([O-])[*:1] C[C@@H](Sc1ccc(cc1)[*:1])C(=O)Oc1ccccc1
C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc(C(F)(F)F)c1 [O-][n+]1ccccc1[*:1] C[C@H](S[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc(c1)[*:1]
O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21)Nc1ccccc1F c1cc(ccn1)[*:1] O=C(Cn1cc(C(=O)[*:1])c(=O)c2cc(Br)ccc21)Nc1ccccc1F
O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21)N[*:1]
O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] O=C(c1ccncc1)c1cn(C[*:1])c2ccc(Br)cc2c1=O
O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21)Nc1ccccc1F O=C(c1ccncc1)[*:1] O=C(Cn1cc(c(=O)c2cc(Br)ccc21)[*:1])Nc1ccccc1F
CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(Br)cc2)c1 CCNS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N(C)Cc1ccc(Br)cc1)[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(Br)cc2)c1 Brc1ccc(cc1)C[*:1] CCNS(=O)(=O)c1ccc(C)c(c1)C(=O)N(C)[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] CCNS(=O)(=O)c1ccc(C)c(c1)C(=O)N(C)C[*:1]
O=C(CO)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CO)N1CCN(CC1)C(=O)CC(c1ccccc1)[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)C[C@@H](O)c2ccccc2)C1 O[C@@H](c1ccccc1)[*:1] CC(C)C(=O)NC[C@H]1CCCN(C1)C(=O)C[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)C[C@@H](O)c2ccccc2)C1 CC(C)C(=O)N[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCC[C@@H](C1)C[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)C[C@@H](O)c2ccccc2)C1 CC(C)C(=O)NC[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCC[C@@H](C1)[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)C[C@@H](O)c2ccccc2)C1 CC(C)[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCC[C@H](CNC(=O)[*:1])C1
CC(C)C(=O)NC[C@H]1CCCN(C(=O)C[C@@H](O)c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)C(=O)NC[C@H]1CCCN(C1)C(=O)C[C@@H](O)[*:1]
Cc1cc(CSCc2nsc(N(C)C)n2)no1 CN(C)[*:1] Cc1cc(CSCc2nsc(n2)[*:1])no1
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(NC(C)=O)cc1 CCO[*:1] CC(=O)Nc1ccc(cc1)C(=O)Oc1c(Cl)cc(C#N)cc1[*:1]
CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(cc1)[*:1]
CN(CCC(=O)OC(C)(C)C)C(=O)Nc1c[nH]nc1-c1ccccn1 CC(C)(C)OC(=O)[*:1] CN(CC[*:1])C(=O)Nc1c[nH]nc1-c1ccccn1
CN(CCC(=O)OC(C)(C)C)C(=O)Nc1c[nH]nc1-c1ccccn1 CC(C)(C)OC(=O)C[*:1] CN(C[*:1])C(=O)Nc1c[nH]nc1-c1ccccn1
CN(CCC(=O)OC(C)(C)C)C(=O)Nc1c[nH]nc1-c1ccccn1 CC(C)(C)[*:1] CN(CCC(=O)O[*:1])C(=O)Nc1c[nH]nc1-c1ccccn1
CN(CCC(=O)OC(C)(C)C)C(=O)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] CN(CCC(=O)OC(C)(C)C)C(=O)Nc1c[nH]nc1[*:1]
Cc1ccc(OCC(=O)N(C[C@@H]2CCCO2)c2ccncc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CO[*:1])N(C[C@@H]1CCCO1)c1ccncc1
Cc1ccc(OCC(=O)N(C[C@@H]2CCCO2)c2ccncc2)c(C)c1 c1cc(ccn1)[*:1] Cc1ccc(OCC(=O)N(C[C@@H]2CCCO2)[*:1])c(C)c1
C[C@H](O)C[C@H]1CCCCN1C(=O)c1cccc(F)c1 C[C@H](O)C[*:1] O=C(c1cccc(F)c1)N1CCCC[C@@H]1[*:1]
C[C@H](O)C[C@H]1CCCCN1C(=O)c1cccc(F)c1 C[C@H](O)[*:1] O=C(c1cccc(F)c1)N1CCCC[C@@H]1C[*:1]
N#Cc1cccnc1-c1cccc(-c2ccn(CCN3CCOCC3)n2)c1 C1CN(CCO1)C[*:1] N#Cc1cccnc1-c1cccc(c1)-c1ccn(C[*:1])n1
N#Cc1cccnc1-c1cccc(-c2ccn(CCN3CCOCC3)n2)c1 C1CN(CCO1)[*:1] N#Cc1cccnc1-c1cccc(c1)-c1ccn(CC[*:1])n1
N#Cc1cccnc1-c1cccc(-c2ccn(CCN3CCOCC3)n2)c1 N#Cc1cccnc1[*:1] c1cc(cc(c1)[*:1])-c1ccn(CCN2CCOCC2)n1
N#Cc1cccnc1-c1cccc(-c2ccn(CCN3CCOCC3)n2)c1 C1CN(CCO1)CC[*:1] N#Cc1cccnc1-c1cccc(c1)-c1ccn(n1)[*:1]
CC1(C)SC(=S)N(/N=C\c2cccs2)[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC1(C)SC(=S)N(/N=C\c2cccs2)[C@H]1N(O)C(=O)N[*:1]
CC1(C)SC(=S)N(/N=C\c2cccs2)[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1 c1csc(c1)[*:1] CC1(C)SC(=S)N(N=C[*:1])[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1
Cc1cccc(N2CC[NH+](CCCNC(=O)C3CC=CC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCCC[NH+]1CCN(CC1)[*:1])C1CC=CC1
O=C(/C=C/c1ccc(F)cc1)NCc1ccc(-n2cccc2)cc1 Fc1ccc(cc1)[*:1] O=C(C=C[*:1])NCc1ccc(cc1)-n1cccc1
O=C(/C=C/c1ccc(F)cc1)NCc1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] O=C(/C=C/c1ccc(F)cc1)NCc1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 CC[C@@H](C)NC(=O)C[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)[*:1]
CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 Cc1ccc(cc1C)[*:1] CC[C@@H](C)NC(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 CC[C@@H](C)NC(=O)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)C[*:1]
CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 CC[C@@H](C)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
CCCn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21 CCC[*:1] O=c1c2sccc2n(c(=O)n1Cc1ccc(F)cc1)[*:1]
CCCn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21 Fc1ccc(cc1)[*:1] CCCn1c(=O)n(C[*:1])c(=O)c2sccc21
CC(C)[C@](C)(O)C[NH2+]Cc1ccccc1-n1cccn1 c1cnn(c1)[*:1] CC(C)[C@](C)(O)C[NH2+]Cc1ccccc1[*:1]
CC(C)[C@](C)(O)C[NH2+]Cc1ccccc1-n1cccn1 CC(C)[*:1] C[C@](O)(C[NH2+]Cc1ccccc1-n1cccn1)[*:1]
Cc1cc(C)cc(/C(=C2/OC(=O)c3ccccc32)[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)C(=C1OC(=O)c2ccccc21)[*:1]
Cc1sc2nc(SCC(=O)c3ccc(F)cc3)n(C(C)C)c(=O)c2c1C Fc1ccc(cc1)[*:1] Cc1sc2nc(SCC(=O)[*:1])n(c(=O)c2c1C)C(C)C
Cc1sc2nc(SCC(=O)c3ccc(F)cc3)n(C(C)C)c(=O)c2c1C CC(C)[*:1] Cc1sc2nc(SCC(=O)c3ccc(F)cc3)n(c(=O)c2c1C)[*:1]
COc1ccc(NC(=O)CCSc2nnc3c(n2)[nH]c2ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(CCSc1nnc2c(n1)[nH]c1ccccc12)N[*:1]
Cc1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)no1 Fc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CN1CCO[C@H](C1)[*:1]
Cc1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)no1 Cc1cc(no1)[*:1] O=C(CN1CCO[C@@H](C1)c1ccc(F)cc1)N[*:1]
CCN(CC)C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@H](C)n1nnc(n1)[*:1]
Cc1nc([C@H]2CCCN(C(=O)c3ccc(N4CCCC4)nn3)C2)no1 Cc1nc(no1)[*:1] O=C(c1ccc(nn1)N1CCCC1)N1CCC[C@@H](C1)[*:1]
Cc1nc([C@H]2CCCN(C(=O)c3ccc(N4CCCC4)nn3)C2)no1 C1CCN(C1)[*:1] Cc1nc(no1)[C@H]1CCCN(C1)C(=O)c1ccc(nn1)[*:1]
CC(=O)N[C@@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)N[C@@H](CC(=O)[O-])c1ccc(cc1)[*:1]
CC(=O)N[C@@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 O=C([O-])[*:1] CC(=O)N[C@@H](C[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(=O)N[C@@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 O=C([O-])C[*:1] CC(=O)N[C@@H](c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(=O)N[C@@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 CC(=O)N[*:1] O=C([O-])C[C@@H](c1ccc(cc1)[N+](=O)[O-])[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)Nc1ccccc1N(C)C CN(C)[*:1] COC(=O)[C@H]1CCCCC[C@H]1NC(=O)Nc1ccccc1[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)Nc1ccccc1N(C)C COC(=O)[*:1] CN(C)c1ccccc1NC(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
O=C(COc1ccccc1)Nc1ccc2c(N3CCOCC3)ncnc2c1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccc2c(ncnc2c1)N1CCOCC1
O=C(COc1ccccc1)Nc1ccc2c(N3CCOCC3)ncnc2c1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc2c(ncnc2c1)N1CCOCC1
O=C(COc1ccccc1)Nc1ccc2c(N3CCOCC3)ncnc2c1 c1ccc(cc1)OC[*:1] O=C(Nc1ccc2c(ncnc2c1)N1CCOCC1)[*:1]
O=C(COc1ccccc1)Nc1ccc2c(N3CCOCC3)ncnc2c1 C1CN(CCO1)[*:1] O=C(COc1ccccc1)Nc1ccc2c(ncnc2c1)[*:1]
O=C(CCc1ccccc1OC(F)(F)F)NCc1nnc2n1CCCCC2 FC(F)(F)O[*:1] O=C(CCc1ccccc1[*:1])NCc1nnc2CCCCCn21
O=C(CCc1ccccc1OC(F)(F)F)NCc1nnc2n1CCCCC2 FC(F)(F)[*:1] O=C(CCc1ccccc1O[*:1])NCc1nnc2CCCCCn21
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C CC(C)(C)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NC[C@H]1CCO[C@H]1[*:1]
CNc1nc(CNc2ccc(C(=O)N3CCc4ccccc43)cn2)cs1 CNc1nc(cs1)[*:1] O=C(c1ccc(nc1)NC[*:1])N1CCc2ccccc21
CNc1nc(CNc2ccc(C(=O)N3CCc4ccccc43)cn2)cs1 CNc1nc(cs1)C[*:1] O=C(c1ccc(nc1)N[*:1])N1CCc2ccccc21
N/C(=N/OCc1cnc(Cl)s1)c1cccc(C(F)(F)F)c1 Clc1ncc(C[*:1])s1 N/C(=N/O[*:1])c1cccc(c1)C(F)(F)F
N/C(=N/OCc1cnc(Cl)s1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] N/C(=N/OCc1cnc(Cl)s1)c1cccc(c1)[*:1]
N/C(=N/OCc1cnc(Cl)s1)c1cccc(C(F)(F)F)c1 Clc1ncc(s1)[*:1] N/C(=N/OC[*:1])c1cccc(c1)C(F)(F)F
Cc1cc(NC(=O)c2ccc(Br)cc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1 O=C(N[*:1])c1ccc(Br)cc1 Cc1cc(n(n1)-c1ncnc2c1cnn2-c1ccccc1)[*:1]
Cc1cc(NC(=O)c2ccc(Br)cc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)c2ccc(Br)cc2)n(n1)-c1ncnc2c1cnn2[*:1]
Cc1cc(NC(=O)c2ccc(Br)cc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1 Brc1ccc(cc1)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ncnc2c1cnn2-c1ccccc1
C=CC[C@@](CC)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] C=CC[C@@](CC)(c1ccccc1)[*:1]
C=CC[C@@](CC)(C(=O)[O-])c1ccccc1 C=CC[*:1] CC[C@@](C(=O)[O-])(c1ccccc1)[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 c1cc2ccc(cc2[nH]1)[*:1] O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 Clc1ccc(cc1)CC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc2cc[nH]c2c1
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 Clc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc2cc[nH]c2c1
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 Clc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc2cc[nH]c2c1
c1ccc2c(c1)CCCN2Cc1noc(C2CC2)n1 C1CC1[*:1] c1ccc2c(c1)CCCN2Cc1noc(n1)[*:1]
Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccnc(OCC2CC2)c1 C1CC1[*:1] Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccnc(c1)OC[*:1]
Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccnc(OCC2CC2)c1 C1CC1C[*:1] Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccnc(c1)O[*:1]
Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccnc(OCC2CC2)c1 C1CC1CO[*:1] Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccnc(c1)[*:1]
Cc1cccc(CN(C)C[C@H](CBr)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cccc(CN(C)C[C@H](CBr)[*:1])n1
O=S(=O)(Oc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=S(=O)(Oc1ccc2OCOc2c1)c1ccccc1[*:1]
COC(=O)Cc1ccccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 COC(=O)[*:1] O=C(Nc1ccccc1C[*:1])[C@H]1CCC[C@@H](C1)C(F)(F)F
COC(=O)Cc1ccccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 COC(=O)C[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CCC[C@@H](C1)C(F)(F)F
COC(=O)Cc1ccccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] COC(=O)Cc1ccccc1NC(=O)[C@H]1CCC[C@H](C1)[*:1]
CC(C)c1noc(-c2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)n1 CC(C)c1noc(n1)[*:1] O=C(NC[C@@H]1CCCO1)Nc1ccc(cc1)[*:1]
CC(C)c1noc(-c2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)n1 C1CO[C@@H](C1)C[*:1] CC(C)c1noc(n1)-c1ccc(cc1)NC(=O)N[*:1]
CC(C)c1noc(-c2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)n1 C1CO[C@@H](C1)[*:1] CC(C)c1noc(n1)-c1ccc(cc1)NC(=O)NC[*:1]
CC(C)c1noc(-c2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)n1 CC(C)[*:1] O=C(NC[C@@H]1CCCO1)Nc1ccc(cc1)-c1nc(no1)[*:1]
CC(=O)O[C@@H]1c2ccccc2CCCCCCC12OCCO2 CC(=O)O[*:1] c1ccc2c(c1)CCCCCCC1(OCCO1)[C@@H]2[*:1]
Cc1csc([C@H]2CN(Cc3cccc(C)c3C)CCO2)n1 Cc1csc(n1)[*:1] Cc1cccc(CN2CCO[C@H](C2)[*:1])c1C
CCCc1nc(C(=O)NCc2ccc(C#N)cc2)n[nH]1 CCC[*:1] N#Cc1ccc(cc1)CNC(=O)c1n[nH]c(n1)[*:1]
Cc1cccc(OCCN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)c1 Cc1cccc(c1)O[*:1] CN(CC[*:1])Cc1nc2cc(Cl)ccc2c(=O)[nH]1
Cc1cccc(OCCN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)c1 Cc1cccc(c1)[*:1] CN(CCO[*:1])Cc1nc2cc(Cl)ccc2c(=O)[nH]1
CC[NH+]1CCCN(C(=O)Cc2csc(Cc3ccccc3)n2)CC1 c1ccc(cc1)C[*:1] CC[NH+]1CCCN(CC1)C(=O)Cc1csc(n1)[*:1]
CC[NH+]1CCCN(C(=O)Cc2csc(Cc3ccccc3)n2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCCN(CC1)C(=O)Cc1csc(C[*:1])n1
Cn1nc(C(C)(C)C)cc1C(=O)NC[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] Cn1nc(cc1C(=O)NC[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1C(=O)NC[C@H]1CCS(=O)(=O)C1 CC(C)(C)[*:1] Cn1nc(cc1C(=O)NC[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1cccnc1[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C CC(C)[*:1] Cc1cccnc1[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[*:1]
Cc1cccnc1[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C Cc1cccnc1[*:1] CC(C)[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[*:1]
Cc1cccnc1[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C O=[N+]([O-])[*:1] Cc1cccnc1[C@@H]([NH2+][C@H](C)c1ccccc1[*:1])C(C)C
C[C@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)CN1CCOCC1 C1CC1[*:1] C[C@H](CNC(=O)c1cccc(c1)NC(=O)[*:1])CN1CCOCC1
C[C@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)CN1CCOCC1 O=C(N[*:1])C1CC1 C[C@H](CNC(=O)c1cccc(c1)[*:1])CN1CCOCC1
C[C@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)c1cccc(c1)NC(=O)C1CC1)C[*:1]
C[C@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@H](CNC(=O)c1cccc(c1)NC(=O)C1CC1)[*:1]
CC(C)OC(=O)[C@H](C)N(C)Cc1ccccc1-n1cccn1 CC(C)[*:1] C[C@@H](C(=O)O[*:1])N(C)Cc1ccccc1-n1cccn1
CC(C)OC(=O)[C@H](C)N(C)Cc1ccccc1-n1cccn1 c1cnn(c1)[*:1] CC(C)OC(=O)[C@H](C)N(C)Cc1ccccc1[*:1]
CC(C)OC(=O)[C@H](C)N(C)Cc1ccccc1-n1cccn1 CC(C)OC(=O)[*:1] C[C@H](N(C)Cc1ccccc1-n1cccn1)[*:1]
CCOC(=O)[C@@H](C)Oc1ccc(Br)cc1/C=C/C(=O)[O-] CCOC(=O)[*:1] C[C@@H](Oc1ccc(Br)cc1/C=C/C(=O)[O-])[*:1]
CCOC(=O)[C@@H](C)Oc1ccc(Br)cc1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] CCOC(=O)[C@@H](C)Oc1ccc(Br)cc1[*:1]
CCOC(=O)[C@@H](C)Oc1ccc(Br)cc1/C=C/C(=O)[O-] O=C([O-])[*:1] CCOC(=O)[C@@H](C)Oc1ccc(Br)cc1C=C[*:1]
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C CC(C)(C)[*:1] Cc1nc([nH]c(=O)c1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[*:1]
CCCSCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl CCCS[*:1] O=C(C[*:1])NC[C@H](O)c1c(Cl)cccc1Cl
CCCSCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl CCCSC[*:1] O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[*:1]
CCCSCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl CCC[*:1] O=C(CS[*:1])NC[C@H](O)c1c(Cl)cccc1Cl
C[C@@H](CNC(=O)NC[C@H](O)c1ccco1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NC[C@H](O)c1ccco1)N(C)[*:1]
C[C@@H](CNC(=O)NC[C@H](O)c1ccco1)N(C)c1ccccc1 O[C@H](c1ccco1)[*:1] C[C@@H](CNC(=O)NC[*:1])N(C)c1ccccc1
C[C@@H](CNC(=O)NC[C@H](O)c1ccco1)N(C)c1ccccc1 c1coc(c1)[*:1] C[C@@H](CNC(=O)NC[C@H](O)[*:1])N(C)c1ccccc1
CCc1ccc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1 Clc1ncccc1[*:1] CCc1ccc(cc1)C(=O)OCC(=O)N[*:1]
COc1ccc(C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(C)cc1[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(Br)c1 O=S1(=O)CC[C@H](C1)[*:1] Cc1ccc(O[C@@H](C)C(=O)N(C)[*:1])c(Br)c1
O=C(NCc1ncc(-c2ccccc2)o1)Nc1cnn(-c2ncccn2)c1 c1ccc(cc1)[*:1] O=C(NCc1ncc(o1)[*:1])Nc1cnn(c1)-c1ncccn1
O=C(NCc1ncc(-c2ccccc2)o1)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] O=C(NCc1ncc(o1)-c1ccccc1)Nc1cnn(c1)[*:1]
C[NH+]1CCN([C@@H](c2cccc(F)c2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 O=C(N[*:1])c1ccco1 C[NH+]1CCN(CC1)[C@@H](c1cccc(F)c1)c1c(sc2CCCCc21)[*:1]
C[NH+]1CCN([C@@H](c2cccc(F)c2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 c1coc(c1)[*:1] C[NH+]1CCN(CC1)[C@@H](c1cccc(F)c1)c1c(NC(=O)[*:1])sc2CCCCc21
C[NH+]1CCN([C@@H](c2cccc(F)c2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 Fc1cccc(c1)[*:1] C[NH+]1CCN(CC1)[C@@H](c1c(NC(=O)c2ccco2)sc2CCCCc21)[*:1]
O=C(NCCc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1CC(=O)N(C2CC2)C1 Clc1ccc(cc1)[*:1] O=C(NCCc1nc(cs1)[*:1])[C@H]1CC(=O)N(C1)C1CC1
O=C(NCCc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(NCCc1nc(cs1)-c1ccc(Cl)cc1)[C@H]1CC(=O)N(C1)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(C[C@H](O)c2ccccc2)C1=O)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(C[C@H](O)[*:1])C1=O)c1ccccc1
CC[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O O[C@H](c1ccccc1)[*:1] CC[C@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
CN(C(=O)c1cc(F)c(F)cc1Cl)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)c1cc(F)c(F)cc1Cl)[*:1]
C[C@@H](NC(=O)CCCNC(=O)C1CC1)C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)CCCNC(=O)C1CC1)[*:1]
C[C@@H](NC(=O)CCCNC(=O)C1CC1)C(N)=O C1CC1[*:1] C[C@@H](NC(=O)CCCNC(=O)[*:1])C(N)=O
C[C@@H](NC(=O)CCCNC(=O)C1CC1)C(N)=O C[C@@H](C(N)=O)[*:1] O=C(CCCNC(=O)C1CC1)N[*:1]
CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] CON(C)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 CON(C)S(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1Cl
Cc1cccc(-n2nnc(S(=O)(=O)c3ccccc3)c2C)c1 Cc1cccc(c1)[*:1] Cc1c(nnn1[*:1])S(=O)(=O)c1ccccc1
Cc1cccc(-n2nnc(S(=O)(=O)c3ccccc3)c2C)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-n1nnc(c1C)S(=O)(=O)[*:1]
O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[*:1]
CC(C)(C)C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)c1ccccc1 CC(C)(C)C[*:1] NS(=O)(=O)c1ccc(CC(=O)N[C@H](c2ccccc2)[*:1])s1
CC(C)(C)C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C[C@H](NC(=O)Cc1ccc(s1)S(N)(=O)=O)[*:1]
CC(C)(C)C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)c1ccccc1 NS(=O)(=O)[*:1] CC(C)(C)C[C@H](NC(=O)Cc1ccc(s1)[*:1])c1ccccc1
CC(C)(C)C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)c1ccccc1 CC(C)(C)[*:1] NS(=O)(=O)c1ccc(CC(=O)N[C@@H](C[*:1])c2ccccc2)s1
CC[NH2+]C[C@H](Cc1cccs1)c1cccc(F)c1 c1csc(c1)[*:1] CC[NH2+]C[C@H](C[*:1])c1cccc(F)c1
CC[NH2+]C[C@H](Cc1cccs1)c1cccc(F)c1 c1csc(c1)C[*:1] CC[NH2+]C[C@H](c1cccc(F)c1)[*:1]
CC(C)(C)CC(=O)Nc1ccc(CS(N)(=O)=O)cc1 CC(C)(C)[*:1] NS(=O)(=O)Cc1ccc(cc1)NC(=O)C[*:1]
CC(C)(C)CC(=O)Nc1ccc(CS(N)(=O)=O)cc1 CC(C)(C)C[*:1] NS(=O)(=O)Cc1ccc(cc1)NC(=O)[*:1]
CC(C)(C)CC(=O)Nc1ccc(CS(N)(=O)=O)cc1 NS(=O)(=O)C[*:1] CC(C)(C)CC(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)CC(=O)Nc1ccc(CS(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CC(C)(C)CC(=O)Nc1ccc(cc1)C[*:1]
CCS(=O)(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 CCS(=O)(=O)N[*:1] CN1C(=O)C[C@@H]([C@@H]1c1ccc(Cl)cc1)[*:1]
C[C@@]1(c2ccc(F)cc2Cl)C[NH+]=C(N)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@]1(C[NH+]=C(N)N1[*:1])c1ccc(F)cc1Cl
CC(=O)Nc1ccc(CC(=O)NCc2ccccc2OC(F)F)cc1 FC(F)O[*:1] CC(=O)Nc1ccc(cc1)CC(=O)NCc1ccccc1[*:1]
CC(=O)Nc1ccc(CC(=O)NCc2ccccc2OC(F)F)cc1 CC(=O)N[*:1] O=C(Cc1ccc(cc1)[*:1])NCc1ccccc1OC(F)F
CC(=O)Nc1ccc(CC(=O)NCc2ccccc2OC(F)F)cc1 FC(F)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)NCc1ccccc1O[*:1]
CNC(=O)c1cccnc1NCCCc1c(C)noc1C Cc1noc(C)c1[*:1] CNC(=O)c1cccnc1NCCC[*:1]
CNC(=O)c1cccnc1NCCCc1c(C)noc1C CNC(=O)[*:1] Cc1noc(C)c1CCCNc1ncccc1[*:1]
CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl CCC(CC)[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl)[*:1]
CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl Clc1ccccc1[*:1] CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1C[*:1]
CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl Clc1ccccc1C[*:1] CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CC[C@H]1CC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C O=[N+]([O-])[*:1] CC[C@H]1CC[C@H](Nc2nc3cc(ccc3o2)[*:1])[C@@H]1C
O=C(c1c(O)cccc1O)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1c(O)cccc1O)N1CCC(O)(CC1)[*:1]
CCC[NH2+][C@H](c1ccco1)[C@@H]1CCOC2(CCC2)C1 CCC[*:1] c1coc(c1)[C@@H]([NH2+][*:1])[C@@H]1CCOC2(CCC2)C1
CCC[NH2+][C@H](c1ccco1)[C@@H]1CCOC2(CCC2)C1 c1coc(c1)[*:1] CCC[NH2+][C@H]([C@@H]1CCOC2(CCC2)C1)[*:1]
CC(=O)NC1=NC(SCC(=O)N2CCc3ccccc32)=NC(=O)[C@@H]1NC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=O)NC1=NC(=NC(=O)[C@@H]1NC(=O)[*:1])SCC(=O)N1CCc2ccccc21
CC(=O)NC1=NC(SCC(=O)N2CCc3ccccc32)=NC(=O)[C@@H]1NC(=O)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 CC(=O)NC1=NC(=NC(=O)[C@H]1[*:1])SCC(=O)N1CCc2ccccc21
CC(=O)NC1=NC(SCC(=O)N2CCc3ccccc32)=NC(=O)[C@@H]1NC(=O)c1ccc(F)cc1 O=C(N1CCc2ccccc21)[*:1] CC(=O)NC1=NC(=NC(=O)[C@@H]1NC(=O)c1ccc(F)cc1)SC[*:1]
CNC(=O)c1ccc(CN/C(N[C@H]2C[C@@H]2C)=[NH+]\C)cc1 CNC(=O)[*:1] C/[NH+]=C(\NCc1ccc(cc1)[*:1])N[C@H]1C[C@@H]1C
CCc1nc(SCC(=O)NC2CCCC2)nc([O-])c1C#N C1CCC(C1)[*:1] CCc1nc(nc([O-])c1C#N)SCC(=O)N[*:1]
CCC(=O)c1ccc(OC(=O)c2cnc([C@H]3CCCO3)s2)cc1 CCC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1cnc(s1)[C@H]1CCCO1
COc1ccc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-c1nc2cc(ccc2o1)NC(=O)[*:1]
COc1ccc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])c1ccccc1F
CCNC(=O)CNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 CCNC(=O)[*:1] Cc1cccc(c1)-c1nn(cc1C(=O)NC[*:1])-c1ccc(F)cc1
CCNC(=O)CNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 CCNC(=O)C[*:1] Cc1cccc(c1)-c1nn(cc1C(=O)N[*:1])-c1ccc(F)cc1
CCNC(=O)CNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 CCNC(=O)CNC(=O)[*:1] Cc1cccc(c1)-c1nn(cc1[*:1])-c1ccc(F)cc1
CCNC(=O)CNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 Cc1cccc(c1)[*:1] CCNC(=O)CNC(=O)c1cn(nc1[*:1])-c1ccc(F)cc1
CCNC(=O)CNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 Fc1ccc(cc1)[*:1] CCNC(=O)CNC(=O)c1cn(nc1-c1cccc(C)c1)[*:1]
CC1(C)CCC[C@H]1NC(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CC1(C)CCC[C@H]1NC(=O)NC[C@@H](O)CO[*:1]
CCc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4F)nccn3n2)cc1 CCc1ccc(cc1)[*:1] O=C(CSc1nccn2nc(cc12)[*:1])Nc1ccccc1F
CCc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4F)nccn3n2)cc1 Fc1ccccc1[*:1] CCc1ccc(cc1)-c1cc2c(nccn2n1)SCC(=O)N[*:1]
C1=CC[C@H]2C[NH+](Cc3cnc(-c4cccnc4)s3)C[C@@H]2C1 c1cncc(c1)[*:1] C1=CC[C@H]2C[NH+](Cc3cnc(s3)[*:1])C[C@@H]2C1
CC(C)Cn1nnnc1SCC(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC(C)Cn1nnnc1SCC(=O)[*:1]
CC(C)Cn1nnnc1SCC(=O)c1cnn(C)c1 CC(C)C[*:1] Cn1cc(cn1)C(=O)CSc1nnnn1[*:1]
CC(C)Cn1nnnc1SCC(=O)c1cnn(C)c1 CC(C)[*:1] Cn1cc(cn1)C(=O)CSc1nnnn1C[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)NCCn1cccc1 c1ccn(c1)C[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)NC[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)NCCn1cccc1 c1ccn(c1)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)NCC[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1cnn(c1)C[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 Cc1ccccc1[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)[C@H]1C[C@H]1[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1cnn(c1)[*:1]
O=C([O-])Cn1ccc2ccc(CO)cc21 O=C([O-])[*:1] OCc1ccc2ccn(C[*:1])c2c1
O=C([O-])Cn1ccc2ccc(CO)cc21 O=C([O-])C[*:1] OCc1ccc2ccn(c2c1)[*:1]
COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(NC(=O)/C=C/c2cccc(c2)[*:1])c(cc1OC)C(=O)[O-]
COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])cc1OC O=C([O-])[*:1] COc1cc(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])c(cc1OC)[*:1]
COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])cc1OC O=[N+]([O-])c1cccc(c1)[*:1] COc1cc(NC(=O)C=C[*:1])c(cc1OC)C(=O)[O-]
C[C@@H](CC(=O)O[C@H]1CCSC1)C(=O)c1cccc(F)c1 C1C[C@@H](CS1)[*:1] C[C@@H](CC(=O)O[*:1])C(=O)c1cccc(F)c1
COC(=O)[C@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 COC(=O)[*:1] O=C1C[C@H]2CC[C@H](N2Cc2ccccc2)[C@@]1(Cc1ccccc1F)[*:1]
COC(=O)[C@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 c1ccc(cc1)C[*:1] COC(=O)[C@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@@H]1N2[*:1]
COC(=O)[C@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 Fc1ccccc1C[*:1] COC(=O)[C@@]1(C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1)[*:1]
COC(=O)[C@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 Fc1ccccc1[*:1] COC(=O)[C@]1(C[*:1])C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1
COC(=O)[C@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@]1(Cc2ccccc2F)C(=O)C[C@H]2CC[C@@H]1N2C[*:1]
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCNC1=O O=[N+]([O-])[*:1] O=C(COc1ccc(Cl)cc1[*:1])N1CCNC1=O
O=C(c1ccoc1)N1CCC(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)CC1 c1cc(co1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCCc2cc(ccc21)OC(F)(F)F
O=C(c1ccoc1)N1CCC(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)CC1 FC(F)(F)O[*:1] O=C(c1ccoc1)N1CCC(CC1)C(=O)N1CCCc2cc(ccc21)[*:1]
O=C(c1ccoc1)N1CCC(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)CC1 FC(F)(F)[*:1] O=C(c1ccoc1)N1CCC(CC1)C(=O)N1CCCc2cc(ccc21)O[*:1]
N#Cc1c2c(c(=S)n(CCOCCO)c1N)CCCC2 OCC[*:1] N#Cc1c2CCCCc2c(=S)n(CCO[*:1])c1N
N#Cc1c2c(c(=S)n(CCOCCO)c1N)CCCC2 OCCO[*:1] N#Cc1c2CCCCc2c(=S)n(CC[*:1])c1N
N#Cc1c2c(c(=S)n(CCOCCO)c1N)CCCC2 OCCOC[*:1] N#Cc1c2CCCCc2c(=S)n(C[*:1])c1N
N#Cc1c2c(c(=S)n(CCOCCO)c1N)CCCC2 OCCOCC[*:1] N#Cc1c2CCCCc2c(=S)n(c1N)[*:1]
O=C([O-])C[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C([O-])C[NH+]1CCN(CC1)Cc1cc(Cl)ccc1[*:1]
O=C([O-])C[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 O=C([O-])[*:1] O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](CC1)C[*:1]
CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 c1ccc(cc1)[*:1] CC(C)c1nn(cc1CNC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CC(C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCc1cn(nc1[*:1])-c1ccccc1
CN(Cc1ccc(Cl)nc1)C(=O)Cc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] CN(Cc1ccc(Cl)nc1)C(=O)Cc1ccc(cc1)[*:1]
CN(Cc1ccc(Cl)nc1)C(=O)Cc1ccc(-n2cnnn2)cc1 Clc1ccc(cn1)C[*:1] CN(C(=O)Cc1ccc(cc1)-n1cnnn1)[*:1]
CN(Cc1ccc(Cl)nc1)C(=O)Cc1ccc(-n2cnnn2)cc1 Clc1ccc(cn1)[*:1] CN(C[*:1])C(=O)Cc1ccc(cc1)-n1cnnn1
CCOc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(N)nn21 CCO[*:1] Nc1nc2N[C@H](C[C@@H](c3ccccc3[*:1])n2n1)c1ccc(Cl)cc1
CCOc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(N)nn21 Clc1ccc(cc1)[*:1] CCOc1ccccc1[C@@H]1C[C@H](Nc2nc(N)nn21)[*:1]
Cc1csc([C@H](C)NC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)n1 O=C(NC1CCCC1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1csc([C@H](C)NC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)C(=O)NC1CCCC1)[*:1]
Cc1csc([C@H](C)NC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)n1 C1CCC(C1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1ncc(C#N)cc1Cl CC(C)(C)[*:1] C[C@H]1OC(C)(C)N(C(=O)O[*:1])[C@@H]1CNc1ncc(C#N)cc1Cl
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cccc2)nc1 CC(C)[*:1] N#Cc1ccc(cc1)CN(C(=O)c1ccc(nc1)-n1cccc1)[*:1]
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cccc2)nc1 N#Cc1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)c1ccc(nc1)-n1cccc1
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(nc1)[*:1]
O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cscn1 Clc1cccc(c1)[*:1] O=C(N[C@H](c1ccccn1)[*:1])c1cscn1
O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cscn1 c1nc(cs1)[*:1] O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)[*:1]
O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cscn1 c1ccc(nc1)[*:1] O=C(N[C@H](c1cccc(Cl)c1)[*:1])c1cscn1
CC[C@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccc(Cl)cc2)n1 Fc1ccccc1O[*:1] CC[C@H](C(=O)Nc1noc(n1)-c1ccc(Cl)cc1)[*:1]
CC[C@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CC[C@H](Oc1ccccc1F)C(=O)Nc1noc(n1)[*:1]
CC[C@H](Oc1ccccc1F)C(=O)Nc1noc(-c2ccc(Cl)cc2)n1 Fc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)Nc1noc(n1)-c1ccc(Cl)cc1
CC(=O)c1ccc(NC(=O)CSc2nnc([O-])c3cc(-c4ccco4)nn23)cc1 CC(=O)[*:1] O=C(CSc1nnc([O-])c2cc(nn12)-c1ccco1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nnc([O-])c3cc(-c4ccco4)nn23)cc1 c1coc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nnc([O-])c2cc(nn12)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nnc([O-])c3cc(-c4ccco4)nn23)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(CSc1nnc([O-])c2cc(nn12)-c1ccco1)N[*:1]
CCCCSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 Clc1cccc(c1)[*:1] CCCCSc1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
CCCCSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 CCCCS[*:1] O=C1C[C@H](C(=O)Nc2cccc(Cl)c2)c2c(nc([nH]c2=O)[*:1])N1
CCCCSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 CCC[*:1] O=C1C[C@H](C(=O)Nc2cccc(Cl)c2)c2c(nc([nH]c2=O)SC[*:1])N1
CCCCSc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 CCCC[*:1] O=C1C[C@H](C(=O)Nc2cccc(Cl)c2)c2c(nc([nH]c2=O)S[*:1])N1
C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3sccc32)C(=O)N1Cc1cccc(Br)c1 C1CCC(C1)[*:1] C[C@]1(Cn2c(cc3sccc32)C(=O)N1Cc1cccc(Br)c1)C(=O)N[*:1]
C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3sccc32)C(=O)N1Cc1cccc(Br)c1 Brc1cccc(c1)C[*:1] C[C@]1(Cn2c(cc3sccc32)C(=O)N1[*:1])C(=O)NC1CCCC1
C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3sccc32)C(=O)N1Cc1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@]1(Cn2c(cc3sccc32)C(=O)N1C[*:1])C(=O)NC1CCCC1
C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3sccc32)C(=O)N1Cc1cccc(Br)c1 O=C(NC1CCCC1)[*:1] C[C@]1(Cn2c(cc3sccc32)C(=O)N1Cc1cccc(Br)c1)[*:1]
C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)[*:1]
COC(=O)C1(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CCSCC1 COC(=O)[*:1] CC(C)=C[C@H]1[C@H](C(=O)NC2(CCSCC2)[*:1])C1(C)C
COC(=O)C1(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CCSCC1 CC(C)=C[*:1] COC(=O)C1(CCSCC1)NC(=O)[C@H]1[C@H](C1(C)C)[*:1]
O=C(N[C@@H]1CCN(c2nnc(C3CCC3)o2)C1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCN(C1)c1nnc(o1)C1CCC1)OC[*:1]
O=C(N[C@@H]1CCN(c2nnc(C3CCC3)o2)C1)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@@H]1CCN(C1)c1nnc(o1)C1CCC1)O[*:1]
O=C(N[C@@H]1CCN(c2nnc(C3CCC3)o2)C1)OCc1ccccc1 C1CC(C1)[*:1] O=C(N[C@@H]1CCN(C1)c1nnc(o1)[*:1])OCc1ccccc1
C[C@@H](Cc1ccco1)[NH2+][C@@H]1CS[C@H](C)C1 c1coc(c1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CS[C@H](C)C1
CC(=O)NCc1cc2n(n1)CC[NH+](Cc1ccc(C3CCCC3)s1)C2 C1CCC(C1)[*:1] CC(=O)NCc1cc2C[NH+](CCn2n1)Cc1ccc(s1)[*:1]
CC(=O)NCc1cc2n(n1)CC[NH+](Cc1ccc(C3CCCC3)s1)C2 CC(=O)N[*:1] c1cc(sc1C[NH+]1CCn2nc(cc2C1)C[*:1])C1CCCC1
CC(=O)NCc1cc2n(n1)CC[NH+](Cc1ccc(C3CCCC3)s1)C2 CC(=O)NC[*:1] c1cc(sc1C[NH+]1CCn2nc(cc2C1)[*:1])C1CCCC1
C[NH2+]C[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCCC1 C[NH2+]C[C@H](C)[*:1] C[C@@H](C[NH+]1CCCC1)NC(=O)[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] O=C(NC1CC1)[*:1] Cc1ccc(cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1])C(=O)NC1CC1
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] C1CC1[*:1] Cc1ccc(cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])C(=O)N[*:1]
CC[NH2+][C@@]1(C(N)=O)CCC[C@H](n2cc(Cl)c(C)n2)C1 NC(=O)[*:1] CC[NH2+][C@]1(CCC[C@@H](C1)n1cc(Cl)c(C)n1)[*:1]
C#CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 c1ncn(n1)[*:1] C#CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[*:1]
C#CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 C#CC[*:1] O=C(Nc1ccc(c(c1)C(F)(F)F)-n1cncn1)N(C[C@@H]1CCCO1)[*:1]
C#CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 FC(F)(F)[*:1] C#CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(c(c1)[*:1])-n1cncn1
C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccnc(c1)[*:1]
C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccnc(c1)O[*:1]
C[C@H]1Cc2ccccc2N1/C=C\C(=O)[O-] O=C([O-])[*:1] C[C@H]1Cc2ccccc2N1C=C[*:1]
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C CC(C)(C)NC(=O)[*:1] C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[*:1]
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C CC(C)(C)[*:1] C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N[*:1]
CCn1cnnc1COCC[NH3+] [NH3+]CC[*:1] CCn1cnnc1CO[*:1]
CCn1cnnc1COCC[NH3+] [NH3+]CCO[*:1] CCn1cnnc1C[*:1]
CC(C)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] CC(C)c1ccc(cc1)C(=O)OCC(=O)NC[*:1]
CC(C)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] CC(C)c1ccc(cc1)C(=O)OCC(=O)N[*:1]
CC(C)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 CC(C)[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])NCc1ccco1
CC(=O)c1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccco2)n1N)C(C)C CC(C)[*:1] CC(=O)c1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccco2)n1N)[*:1]
CC(=O)c1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccco2)n1N)C(C)C CC(=O)c1ccccc1[*:1] CC(C)[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)N[*:1]
CC(=O)c1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccco2)n1N)C(C)C c1coc(c1)[*:1] CC(=O)c1ccccc1NC(=O)[C@H](Sc1nnc(n1N)[*:1])C(C)C
CC(=O)c1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccco2)n1N)C(C)C CC(=O)[*:1] CC(C)[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)Nc1ccccc1[*:1]
Nc1c(Br)cc(Br)cc1C(=O)N/N=C/c1ccco1 c1coc(c1)[*:1] Nc1c(Br)cc(Br)cc1C(=O)NN=C[*:1]
CN(c1ccc(Cl)c(C(=O)NC2CCCC2)c1)S(C)(=O)=O C1CCC(C1)[*:1] CN(c1ccc(Cl)c(c1)C(=O)N[*:1])S(C)(=O)=O
CN(c1ccc(Cl)c(C(=O)NC2CCCC2)c1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(NC1CCCC1)c1cc(ccc1Cl)[*:1]
Cc1cccc(O)c1NC(=O)c1cccn2c(Cc3ccccc3)nnc12 Cc1cccc(O)c1[*:1] O=C(N[*:1])c1cccn2c(Cc3ccccc3)nnc12
Cc1cccc(O)c1NC(=O)c1cccn2c(Cc3ccccc3)nnc12 c1ccc(cc1)[*:1] Cc1cccc(O)c1NC(=O)c1cccn2c(C[*:1])nnc12
Cc1cccc(O)c1NC(=O)c1cccn2c(Cc3ccccc3)nnc12 c1ccc(cc1)C[*:1] Cc1cccc(O)c1NC(=O)c1cccn2c(nnc12)[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCc2sccc2[C@@H]1[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCc2sccc2[C@H]1c1ccccc1
Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cnc(-c2cccs2)s1 Cc1nn(C)cc1[*:1] C[C@H]([NH2+]Cc1cnc(s1)-c1cccs1)[*:1]
Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cnc(-c2cccs2)s1 c1csc(c1)[*:1] Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cnc(s1)[*:1]
CC(C)Cc1cc(-c2nn3c(-c4ccccn4)nnc3s2)n(C)n1 c1ccc(nc1)[*:1] CC(C)Cc1cc(-c2nn3c(nnc3s2)[*:1])n(C)n1
CC(C)Cc1cc(-c2nn3c(-c4ccccn4)nnc3s2)n(C)n1 CC(C)[*:1] Cn1nc(cc1-c1nn2c(nnc2s1)-c1ccccn1)C[*:1]
CC(C)Cc1cc(-c2nn3c(-c4ccccn4)nnc3s2)n(C)n1 CC(C)C[*:1] Cn1nc(cc1-c1nn2c(nnc2s1)-c1ccccn1)[*:1]
CCS[C@H]1CC[C@@H]([NH2+]C)C1 CCS[*:1] C[NH2+][C@@H]1CC[C@@H](C1)[*:1]
Cc1ccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NC2CCCCCC2)cc1C O=C(NC1CCCCCC1)[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3C[*:1]
Cc1ccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NC2CCCCCC2)cc1C Cc1ccc(cc1C)[*:1] O=C(C[C@H]1CSc2nc3c(cnn3[*:1])c(=O)n21)NC1CCCCCC1
Cc1ccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NC2CCCCCC2)cc1C C1CCCC(CC1)[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)N[*:1]
O=C1[C@@H](Sc2nnc(C3CC3)s2)CCCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCCN1[*:1])Sc1nnc(s1)C1CC1
O=C1[C@@H](Sc2nnc(C3CC3)s2)CCCN1c1ccccc1 C1CC1[*:1] O=C1[C@H](CCCN1c1ccccc1)Sc1nnc(s1)[*:1]
C[C@H](NS(=O)(=O)CC1CCC1)c1ccc(F)cc1Cl C1CC(C1)[*:1] C[C@H](NS(=O)(=O)C[*:1])c1ccc(F)cc1Cl
C[C@H](NS(=O)(=O)CC1CCC1)c1ccc(F)cc1Cl C1CC(C1)C[*:1] C[C@H](NS(=O)(=O)[*:1])c1ccc(F)cc1Cl
O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(C(F)(F)F)cc1 O=C1CCCN1[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccc(cc1)C(F)(F)F
O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)Nc1ccc(cc1)[*:1]
N#CC1(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)CCCCCC1 Fc1cccc(c1)[*:1] N#CC1(CCCCCC1)NC(=O)Cn1nnc(n1)[*:1]
CC(C)c1nc(CSC[C@@H](C)CO)cs1 C[C@@H](CO)C[*:1] CC(C)c1nc(cs1)CS[*:1]
CC(C)c1nc(CSC[C@@H](C)CO)cs1 C[C@@H](CO)[*:1] CC(C)c1nc(cs1)CSC[*:1]
CC(C)c1nc(CSC[C@@H](C)CO)cs1 CC(C)[*:1] C[C@@H](CO)CSCc1csc(n1)[*:1]
CCCNC(=O)[C@]12CC[C@](C)(/C(=N/O)C1)C2(C)C CCC[*:1] CC1(C)[C@]2(C)CC[C@]1(C/C2=N\O)C(=O)N[*:1]
CCCNC(=O)[C@]12CC[C@](C)(/C(=N/O)C1)C2(C)C CCCNC(=O)[*:1] CC1(C)[C@]2(C)CC[C@@]1(C/C2=N\O)[*:1]
NC(=O)C1(CNC(=O)c2cc3cc(F)ccc3[nH]2)CCOCC1 NC(=O)[*:1] O=C(NCC1(CCOCC1)[*:1])c1cc2cc(F)ccc2[nH]1
Cc1cc(=O)n(CCC(C)(C)O)c(C)n1 CC(C)(O)C[*:1] Cc1cc(=O)n(C[*:1])c(C)n1
Cc1cc(=O)n(CCC(C)(C)O)c(C)n1 CC(C)(O)[*:1] Cc1cc(=O)n(CC[*:1])c(C)n1
COc1cc(C)ccc1NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F FC(F)(F)[*:1] COc1cc(C)ccc1NC(=O)[C@H]1CCCC[C@H]1[*:1]
CCn1ccnc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)c1=O Clc1ccc(cc1)[*:1] CCn1ccnc(N[C@@H]([C@@H]2C[C@@H]2C)[*:1])c1=O
Cc1cncc(C(=O)N2CCCC[C@@H]2C(N)=O)c1 NC(=O)[*:1] Cc1cncc(c1)C(=O)N1CCCC[C@H]1[*:1]
COC(=O)c1cc2n(n1)CCN(C(=O)CCn1c(C)nc3ccccc31)C2 COC(=O)[*:1] Cc1nc2ccccc2n1CCC(=O)N1CCn2nc(cc2C1)[*:1]
COc1cccc(CN2Cc3cc(NC(=O)c4ccccc4F)ccc3OCC2=O)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc2OCC(=O)N(Cc2c1)C[*:1])c1ccccc1F
COc1cccc(CN2Cc3cc(NC(=O)c4ccccc4F)ccc3OCC2=O)c1 O=C(N[*:1])c1ccccc1F COc1cccc(c1)CN1Cc2cc(ccc2OCC1=O)[*:1]
COc1cccc(CN2Cc3cc(NC(=O)c4ccccc4F)ccc3OCC2=O)c1 COc1cccc(c1)C[*:1] O=C(Nc1ccc2OCC(=O)N(Cc2c1)[*:1])c1ccccc1F
COc1cccc(CN2Cc3cc(NC(=O)c4ccccc4F)ccc3OCC2=O)c1 Fc1ccccc1[*:1] COc1cccc(c1)CN1Cc2cc(ccc2OCC1=O)NC(=O)[*:1]
CC[C@H](C)[C@H](NC(=O)c1nc(C(C)C)n[nH]1)C(=O)[O-] CC[C@H](C)[*:1] CC(C)c1n[nH]c(n1)C(=O)N[C@H](C(=O)[O-])[*:1]
CC[C@H](C)[C@H](NC(=O)c1nc(C(C)C)n[nH]1)C(=O)[O-] CC(C)[*:1] CC[C@H](C)[C@H](NC(=O)c1nc(n[nH]1)[*:1])C(=O)[O-]
CC[C@H](C)[C@H](NC(=O)c1nc(C(C)C)n[nH]1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@H](NC(=O)c1nc(n[nH]1)C(C)C)[*:1]
CC(C)COC(=O)N1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 CC(C)[*:1] O=C(OC[*:1])N1CCCN(CC1)C(=O)[C@@H]1CCCN1C(=O)c1cccs1
CC(C)COC(=O)N1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 CC(C)C[*:1] O=C(O[*:1])N1CCCN(CC1)C(=O)[C@@H]1CCCN1C(=O)c1cccs1
CC(C)COC(=O)N1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 c1csc(c1)[*:1] CC(C)COC(=O)N1CCCN(CC1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
OCc1c(OCC(F)(F)F)nc2sccn12 FC(F)(F)[*:1] OCc1c(nc2sccn12)OC[*:1]
OCc1c(OCC(F)(F)F)nc2sccn12 FC(F)(F)C[*:1] OCc1c(nc2sccn12)O[*:1]
C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N(C)[C@H](C)C(N)=O)nc2c1=O Clc1ccccc1[*:1] C=CCn1c(cn2cc(nc2c1=O)C(=O)N(C)[C@H](C)C(N)=O)[*:1]
C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N(C)[C@H](C)C(N)=O)nc2c1=O C=CC[*:1] C[C@H](C(N)=O)N(C)C(=O)c1cn2cc(-c3ccccc3Cl)n(c(=O)c2n1)[*:1]
C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N(C)[C@H](C)C(N)=O)nc2c1=O NC(=O)[*:1] C=CCn1c(cn2cc(nc2c1=O)C(=O)N(C)[C@H](C)[*:1])-c1ccccc1Cl
O=C(Nc1cc(-c2ccccc2)on1)N1C[C@H]2CC[C@@H]1C2 c1ccc(cc1)[*:1] O=C(Nc1cc(on1)[*:1])N1C[C@H]2CC[C@@H]1C2
CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)C1CCN(CC1)C(=O)N(C)C)[*:1]
CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(N)=O CC[C@H](C)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N[C@H](C(N)=O)[*:1]
Cc1cccc(CCNC(=O)Cc2c[nH]c3c(C)cccc23)c1 Cc1cccc(c1)[*:1] Cc1cccc2c(c[nH]c12)CC(=O)NCC[*:1]
C[C@H](O)c1ccnc(-n2nnc(-c3ccccc3)n2)c1 C[C@H](O)[*:1] c1ccc(cc1)-c1nnn(n1)-c1cc(ccn1)[*:1]
C[C@H](O)c1ccnc(-n2nnc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] C[C@H](O)c1ccnc(c1)-n1nnc(n1)[*:1]
COC(=O)c1sccc1NNC(=O)c1ccc([N+](=O)[O-])cc1 COC(=O)[*:1] O=C(NNc1ccsc1[*:1])c1ccc(cc1)[N+](=O)[O-]
COC(=O)c1sccc1NNC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC(=O)c1sccc1NNC(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2ccncc2)cc1 CC(C)(C)[*:1] O=C(Nc1ccnn1Cc1ccc(cc1)[*:1])c1ccncc1
CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] CC(C)(C)c1ccc(cc1)Cn1nccc1NC(=O)[*:1]
COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1[*:1]
COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[*:1]
COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(F)cc2)cc1 COc1ccc(cc1)C[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1[*:1]
CC(C)(C)CCOC(=O)CC1([NH3+])CCC1 CC(C)(C)[*:1] [NH3+]C1(CCC1)CC(=O)OCC[*:1]
CC(C)(C)CCOC(=O)CC1([NH3+])CCC1 [NH3+]C1(CCC1)[*:1] CC(C)(C)CCOC(=O)C[*:1]
CC(C)(C)CCOC(=O)CC1([NH3+])CCC1 CC(C)(C)C[*:1] [NH3+]C1(CCC1)CC(=O)OC[*:1]
COc1ccc(CNC(=O)NCc2ccccc2OC)c(OC)c1 COc1ccccc1[*:1] COc1ccc(CNC(=O)NC[*:1])c(c1)OC
O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] O=C(OCc1ccc(cc1)C(=O)N1CCCC1)c1ccc(cc1)[*:1]
O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] O=C(OCc1ccc(cc1)C(=O)N1CCCC1)c1ccc(cc1)C[*:1]
O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cn2cccn2)cc1 O=C(N1CCCC1)[*:1] O=C(OCc1ccc(cc1)[*:1])c1ccc(cc1)Cn1cccn1
CC(C)[C@H](NC(=O)c1ccc(CSc2nccn2C)o1)c1ccc2c(c1)OCCO2 Cn1ccnc1S[*:1] CC(C)[C@H](NC(=O)c1ccc(C[*:1])o1)c1ccc2OCCOc2c1
CC(C)[C@H](NC(=O)c1ccc(CSc2nccn2C)o1)c1ccc2c(c1)OCCO2 Cn1ccnc1SC[*:1] CC(C)[C@H](NC(=O)c1ccc(o1)[*:1])c1ccc2OCCOc2c1
CC(C)[C@H](NC(=O)c1ccc(CSc2nccn2C)o1)c1ccc2c(c1)OCCO2 CC(C)[*:1] Cn1ccnc1SCc1ccc(o1)C(=O)N[C@H](c1ccc2OCCOc2c1)[*:1]
CC(C)[C@H](NC(=O)c1ccc(CSc2nccn2C)o1)c1ccc2c(c1)OCCO2 Cn1ccnc1[*:1] CC(C)[C@H](NC(=O)c1ccc(CS[*:1])o1)c1ccc2OCCOc2c1
CC(C)[C@H](NC(=O)c1ccc(CSc2nccn2C)o1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] CC(C)[C@H](NC(=O)c1ccc(CSc2nccn2C)o1)[*:1]
CCCOCC[C@@H]1CCC[C@H]1[NH3+] CCCO[*:1] [NH3+][C@@H]1CCC[C@H]1CC[*:1]
CCCOCC[C@@H]1CCC[C@H]1[NH3+] CCC[*:1] [NH3+][C@@H]1CCC[C@H]1CCO[*:1]
Cc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)C(=O)N1CCCN(CC1)C(=O)O[*:1]
Cc1cc(C)c2nc(N3CC[NH+](CCNC(=O)c4ccccc4Cl)CC3)sc2c1 Clc1ccccc1[*:1] Cc1cc(C)c2nc(sc2c1)N1CC[NH+](CCNC(=O)[*:1])CC1
O=C([O-])c1sccc1S(=O)(=O)NC[C@H](O)c1ccccc1 O=C([O-])[*:1] O=S(=O)(NC[C@H](O)c1ccccc1)c1ccsc1[*:1]
O=C([O-])c1sccc1S(=O)(=O)NC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1sccc1S(=O)(=O)NC[C@H](O)[*:1]
CC(C)N1C(=O)C(=O)N(Cc2cc(Br)ccc2OC(F)F)C1=O CC(C)[*:1] O=C1C(=O)N(C(=O)N1Cc1cc(Br)ccc1OC(F)F)[*:1]
CC(C)N1C(=O)C(=O)N(Cc2cc(Br)ccc2OC(F)F)C1=O FC(F)[*:1] CC(C)N1C(=O)C(=O)N(Cc2cc(Br)ccc2O[*:1])C1=O
CC(C)N1C(=O)C(=O)N(Cc2cc(Br)ccc2OC(F)F)C1=O FC(F)O[*:1] CC(C)N1C(=O)C(=O)N(Cc2cc(Br)ccc2[*:1])C1=O
Cc1cc([N+](=O)[O-])ccc1NC1CCN(c2ncccn2)CC1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC1CCN(CC1)c1ncccn1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] Cc1cc(ccc1NC1CCN(CC1)[*:1])[N+](=O)[O-]
CN(C)C(=O)c1cc(O[C@@H]2CC[C@@H]([NH3+])C2)ccn1 CN(C)C(=O)[*:1] [NH3+][C@@H]1CC[C@H](C1)Oc1ccnc(c1)[*:1]
Cc1c(Oc2cccc(F)c2)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])Oc1cccc(F)c1
CCC(=O)Nc1ccc(C2=C([O-])c3ccccc3C2=O)cc1 CCC(=O)N[*:1] O=C1C(=C([O-])c2ccccc21)c1ccc(cc1)[*:1]
O=C(NC[C@@H]1CCCO1)[C@H]1Cc2ccccc2CN1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])[C@H]1Cc2ccccc2CN1
O=C(NC[C@@H]1CCCO1)[C@H]1Cc2ccccc2CN1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])[C@H]1Cc2ccccc2CN1
C[C@H]1CC(C(=O)N2CCC[C@@H]2c2nncn2C)C[C@H](C)O1 Cn1cnnc1[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC[C@H]1[*:1]
Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 Cc1noc(C)c1[*:1] C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)C(=O)OC[*:1]
Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 Cc1noc(C)c1C[*:1] C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)C(=O)O[*:1]
C[C@@H](NCCc1cc2ccccc2o1)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C[C@@H](NCCc1cc2ccccc2o1)c1cccc(c1)[*:1]
C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])[*:1]
C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 O=[N+]([O-])[*:1] C[C@@H](OC(=O)COc1ccccc1[*:1])c1cccc(C#N)c1
CC[C@H](Br)C(=O)Nc1nnc(CC(C)C)s1 CC[C@H](Br)[*:1] CC(C)Cc1nnc(NC(=O)[*:1])s1
CC[C@H](Br)C(=O)Nc1nnc(CC(C)C)s1 CC(C)C[*:1] CC[C@H](Br)C(=O)Nc1nnc(s1)[*:1]
CC[C@H](Br)C(=O)Nc1nnc(CC(C)C)s1 CC(C)[*:1] CC[C@H](Br)C(=O)Nc1nnc(C[*:1])s1
Clc1ccc(-n2cnnc2)cc1-c1nc2ccccc2[nH]1 c1nncn1[*:1] Clc1ccc(cc1-c1nc2ccccc2[nH]1)[*:1]
CC[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C(C)(C)C)cc1 O=S1(=O)CC[C@@H](C1)[*:1] CC[C@@H](OC(=O)[*:1])c1ccc(cc1)C(C)(C)C
CC[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
O=[N+]([O-])CCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])CCc1cccc(c1)[*:1]
O=[N+]([O-])CCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])C[*:1] O=[N+]([O-])c1cccc(c1)C[*:1]
O=[N+]([O-])CCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cccc(c1)CC[*:1]
O=C([O-])c1cc(-n2cccc2)ccc1O c1ccn(c1)[*:1] O=C([O-])c1cc(ccc1O)[*:1]
O=C([O-])c1cc(-n2cccc2)ccc1O O=C([O-])[*:1] Oc1ccc(cc1[*:1])-n1cccc1
CCN(CC(C)(C)O)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] CC(C)(O)C[*:1] CCN(C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])[*:1]
CCN(CC(C)(C)O)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] CC(C)(O)[*:1] CCN(C[*:1])C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]
CCN(CC(C)(C)O)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] O=C([O-])[*:1] CCN(CC(C)(C)O)C(=O)[C@H]1CC=CC[C@@H]1[*:1]
CC(C)C(=O)N[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 Clc1ccc(s1)[*:1] CC(C)C(=O)N[C@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
CC(C)C(=O)N[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 CC(C)[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)NC(=O)[*:1])c1ccc(Cl)s1
CC(C)C(=O)N[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 CC(C)C(=O)N[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)[*:1])c1ccc(Cl)s1
Cn1cc(COC(=O)CC2CCC2)cn1 C1CC(C1)[*:1] Cn1cc(cn1)COC(=O)C[*:1]
Cn1cc(COC(=O)CC2CCC2)cn1 C1CC(C1)C[*:1] Cn1cc(cn1)COC(=O)[*:1]
CCc1ccc(N2C(=O)C[C@@H](Nc3ccc(O)cc3)C2=O)cc1 Oc1ccc(cc1)[*:1] CCc1ccc(cc1)N1C(=O)C[C@@H](N[*:1])C1=O
CNC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)C1 Fc1ccc(cc1)[*:1] CNC(=O)N1CCC[C@H](C1)c1cccc(c1)C(=O)N1CCN(CC1)[*:1]
COc1cc(Cn2c(C(=O)N3CCCC3)cc3sc(C)cc32)cc(OC)c1 O=C(N1CCCC1)[*:1] COc1cc(cc(c1)OC)Cn1c(cc2sc(C)cc21)[*:1]
CCN(C(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1cccc(F)c1 c1ccc(cc1)[*:1] CCN(C(=O)[C@H](C)n1nnc(n1)[*:1])c1cccc(F)c1
CCN(C(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(C(=O)[C@H](C)n1nnc(n1)-c1ccccc1)[*:1]
Cc1cc(CN(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)C1CCN(CC1)C(=O)c1cccs1
Cc1cc(CN(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)no1 c1csc(c1)[*:1] Cc1cc(CN(C)C(=O)C2CCN(CC2)C(=O)[*:1])no1
Cc1cc(CN(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)no1 Cc1cc(C[*:1])no1 CN(C(=O)C1CCN(CC1)C(=O)c1cccs1)[*:1]
Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1c(C)noc1C Cc1ccccc1[*:1] Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H](O)CO[*:1]
Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)[*:1]
CC(=O)NC(C(=O)OCC(=O)c1ccc(Br)cc1)=C(C)C CC(=O)N[*:1] CC(C)=C(C(=O)OCC(=O)c1ccc(Br)cc1)[*:1]
CC(=O)NC(C(=O)OCC(=O)c1ccc(Br)cc1)=C(C)C Brc1ccc(cc1)[*:1] CC(=O)NC(C(=O)OCC(=O)[*:1])=C(C)C
CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)c1 CCCC(=O)N[*:1] C[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1nc2ccccc2n1C
CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)c1 CCC[*:1] C[C@@H]([NH2+]Cc1cccc(c1)NC(=O)[*:1])c1nc2ccccc2n1C
C[C@H](c1ccccc1)n1cc(C(=O)NC[C@@H]2COc3ccccc3O2)nn1 C[C@H](c1ccccc1)[*:1] O=C(NC[C@@H]1COc2ccccc2O1)c1cn(nn1)[*:1]
C[C@H](c1ccccc1)n1cc(C(=O)NC[C@@H]2COc3ccccc3O2)nn1 c1ccc(cc1)[*:1] C[C@H](n1cc(nn1)C(=O)NC[C@@H]1COc2ccccc2O1)[*:1]
[NH3+]CCOCC(=O)N[C@H](C(=O)[O-])C1CCCCC1 C1CCC(CC1)[*:1] [NH3+]CCOCC(=O)N[C@H](C(=O)[O-])[*:1]
[NH3+]CCOCC(=O)N[C@H](C(=O)[O-])C1CCCCC1 [NH3+]CCO[*:1] O=C(C[*:1])N[C@H](C(=O)[O-])C1CCCCC1
[NH3+]CCOCC(=O)N[C@H](C(=O)[O-])C1CCCCC1 [NH3+]CCOC[*:1] O=C([O-])[C@@H](NC(=O)[*:1])C1CCCCC1
[NH3+]CCOCC(=O)N[C@H](C(=O)[O-])C1CCCCC1 [NH3+]CC[*:1] O=C(CO[*:1])N[C@H](C(=O)[O-])C1CCCCC1
[NH3+]CCOCC(=O)N[C@H](C(=O)[O-])C1CCCCC1 O=C([O-])[*:1] [NH3+]CCOCC(=O)N[C@H](C1CCCCC1)[*:1]
COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cccc(N(C)C(C)=O)c2)c1 COc1cccc(c1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)[C@H]1C[C@@H]1[*:1]
COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cccc(N(C)C(C)=O)c2)c1 CC(=O)N(C)[*:1] COc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1cccc(c1)[*:1]
c1ccc([C@@H]2C[C@@H]2c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 c1ccc(cc1)[*:1] c1nc2sc3CCCc3c2c2nc(nn12)[C@H]1C[C@H]1[*:1]
COc1ccc(C(=O)[C@H]2SC(N)=[NH+][C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)[C@H]1SC(N)=[NH+][C@@H]1[*:1]
CCn1ccc2ccc(NC(=O)C(=O)N3CC[C@@H](C(N)=O)C3)cc21 NC(=O)[*:1] CCn1ccc2ccc(cc21)NC(=O)C(=O)N1CC[C@@H](C1)[*:1]
O=C(C[C@@H](O)c1ccccc1)NCc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])NCc1nnc(s1)-c1ccccc1
O=C(C[C@@H](O)c1ccccc1)NCc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)c1ccccc1)NCc1nnc(s1)[*:1]
O=C(C[C@@H](O)c1ccccc1)NCc1nnc(-c2ccccc2)s1 O[C@@H](c1ccccc1)[*:1] O=C(C[*:1])NCc1nnc(s1)-c1ccccc1
C#Cc1cccc(NC(=O)C(=O)N[C@H](CC)CO)c1 CC[C@H](CO)[*:1] C#Cc1cccc(c1)NC(=O)C(=O)N[*:1]
[NH3+]C[C@@]1([C@@H](O)c2cnn(-c3ccccc3)c2)CCOC1 c1ccc(cc1)[*:1] [NH3+]C[C@]1(CCOC1)[C@@H](O)c1cnn(c1)[*:1]
C[C@H]1C[C@H](NC(=O)Cc2csc(NC(=O)c3cccs3)n2)CC(C)(C)C1 O=C(N[*:1])c1cccs1 C[C@H]1C[C@@H](CC(C)(C)C1)NC(=O)Cc1csc(n1)[*:1]
C[C@H]1C[C@H](NC(=O)Cc2csc(NC(=O)c3cccs3)n2)CC(C)(C)C1 c1csc(c1)[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)NC(=O)Cc1csc(n1)NC(=O)[*:1]
O=C1CC2(CCCC2)C(=O)N1CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C1CC2(CCCC2)C(=O)N1CC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COc1cc(C(=O)N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)c1ncnc2c(nsc12)[*:1]
CC(C)CS(=O)(=O)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 CC(C)C[*:1] O=C(CS(=O)(=O)[*:1])Nc1cccc(c1)C(=O)NC1CC1
CC(C)CS(=O)(=O)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 CC(C)CS(=O)(=O)[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)NC1CC1
CC(C)CS(=O)(=O)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 CC(C)[*:1] O=C(CS(=O)(=O)C[*:1])Nc1cccc(c1)C(=O)NC1CC1
CC(C)CS(=O)(=O)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] CC(C)CS(=O)(=O)CC(=O)Nc1cccc(c1)[*:1]
CC(C)CS(=O)(=O)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] CC(C)CS(=O)(=O)CC(=O)Nc1cccc(c1)C(=O)N[*:1]
COC1=C(C(=O)NCc2ccco2)[C@@H]2CCN(C(=O)C3=C[C@@H]4N=CC=C4C=C3)CCN2C(=O)C1 c1coc(c1)C[*:1] COC1CC(=O)N2CCN(CC[C@H]2C=1C(=O)N[*:1])C(=O)C1C=CC2=CC=N[C@H]2C=1
COC1=C(C(=O)NCc2ccco2)[C@@H]2CCN(C(=O)C3=C[C@@H]4N=CC=C4C=C3)CCN2C(=O)C1 O=C(NCc1ccco1)[*:1] COC1CC(=O)N2CCN(CC[C@H]2C=1[*:1])C(=O)C1C=CC2=CC=N[C@H]2C=1
COC1=C(C(=O)NCc2ccco2)[C@@H]2CCN(C(=O)C3=C[C@@H]4N=CC=C4C=C3)CCN2C(=O)C1 c1coc(c1)[*:1] COC1CC(=O)N2CCN(CC[C@H]2C=1C(=O)NC[*:1])C(=O)C1C=CC2=CC=N[C@H]2C=1
Cc1nc(CN(C)C(=O)c2n[nH]c3c2CCC3)nc2c1CCC(=O)N2Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(CN(C)C(=O)c2n[nH]c3CCCc23)nc2c1CCC(=O)N2[*:1]
Cc1nc(CN(C)C(=O)c2n[nH]c3c2CCC3)nc2c1CCC(=O)N2Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(CN(C)C(=O)c2n[nH]c3CCCc23)nc2c1CCC(=O)N2C[*:1]
Cc1nc(CN(C)C(=O)c2n[nH]c3c2CCC3)nc2c1CCC(=O)N2Cc1ccccc1 C1Cc2[nH]nc(c2C1)[*:1] Cc1nc(CN(C)C(=O)[*:1])nc2c1CCC(=O)N2Cc1ccccc1
CCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(C)cn23)n(C)c1=O Cc1ccc(cc1C)[*:1] CCn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
[NH3+]CCc1cccc(CN2CCC[C@](O)(C[NH+]3CCCC3)C2)c1 [NH3+]CC[*:1] O[C@@]1(CCCN(Cc2cccc(c2)[*:1])C1)C[NH+]1CCCC1
CCOc1ccc(NC(=O)C[NH+]2CCc3cc4c(cc3C2)OCCCO4)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])NC(=O)C[NH+]1CCc2cc3OCCCOc3cc2C1
CCOc1ccc(NC(=O)C[NH+]2CCc3cc4c(cc3C2)OCCCO4)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])NC(=O)C[NH+]1CCc2cc3OCCCOc3cc2C1
COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)cc1 COc1ccc(cc1)C[*:1] COc1cc2CCN3C(=O)c4ccccc4[C@@H](C(=O)N[*:1])[C@H]3c2cc1OC
COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)cc1 COc1ccc(cc1)[*:1] COc1cc2CCN3C(=O)c4ccccc4[C@@H](C(=O)NC[*:1])[C@H]3c2cc1OC
C[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)NCc2cccnc2)CC1 c1cncc(c1)C[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)CC(=O)N[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)NCc2cccnc2)CC1 c1cncc(c1)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)CC(=O)NC[*:1]
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N(C[*:1])C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-]
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] CCOC(=O)[*:1] CC1=C([C@H](NC(=O)N1Cc1ccccc1)c1ccccc1[N+](=O)[O-])[*:1]
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] c1ccc(cc1)C[*:1] CCOC(=O)C1=C(C)N(C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-])[*:1]
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1[*:1]
CCCSc1ncc(Cl)c(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)n1 c1coc(c1)C[*:1] CCCSc1ncc(Cl)c(n1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCSc1ncc(Cl)c(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)n1 CCCS[*:1] O=C(c1nc(ncc1Cl)[*:1])N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1
CCCSc1ncc(Cl)c(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)n1 CCC[*:1] O=C(c1nc(ncc1Cl)S[*:1])N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1
CCCSc1ncc(Cl)c(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)n1 c1coc(c1)[*:1] CCCSc1ncc(Cl)c(n1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)(C#N)CCCNc1ccccc1C(=O)N1CCC[C@@H]1CO CC(C)(C#N)[*:1] O=C(c1ccccc1NCCC[*:1])N1CCC[C@@H]1CO
CC(C)(C#N)CCCNc1ccccc1C(=O)N1CCC[C@@H]1CO CC(C)(C#N)C[*:1] O=C(c1ccccc1NCC[*:1])N1CCC[C@@H]1CO
CC(C)(C#N)CCCNc1ccccc1C(=O)N1CCC[C@@H]1CO CC(C)(C#N)CCC[*:1] O=C(c1ccccc1N[*:1])N1CCC[C@@H]1CO
CC(C)(C#N)CCCNc1ccccc1C(=O)N1CCC[C@@H]1CO CC(C)(C#N)CC[*:1] O=C(c1ccccc1NC[*:1])N1CCC[C@@H]1CO
Cc1ccc(NC[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 C1CN(CCO1)C[*:1] Cc1ccc(NC[C@@H](O)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 C1CN(CCO1)[*:1] Cc1ccc(NC[C@@H](O)C[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC[C@@H](O)CN2CCOCC2)c(c1)[*:1]
CC(=O)NCc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1 CC(=O)N[*:1] Cc1nc(cs1)Cc1nc(cs1)-c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1 CC(=O)NC[*:1] Cc1nc(cs1)Cc1nc(cs1)-c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1 Cc1nc(cs1)[*:1] CC(=O)NCc1ccc(cc1)-c1csc(C[*:1])n1
CC(=O)NCc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1 Cc1nc(cs1)C[*:1] CC(=O)NCc1ccc(cc1)-c1csc(n1)[*:1]
CCOC(=O)c1cccc(N(CC)C(=O)c2ccccc2C)c1 Cc1ccccc1[*:1] CCOC(=O)c1cccc(c1)N(CC)C(=O)[*:1]
CCOC(=O)c1cccc(N(CC)C(=O)c2ccccc2C)c1 CCOC(=O)[*:1] CCN(C(=O)c1ccccc1C)c1cccc(c1)[*:1]
OCc1ccc(C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)o1 OCc1ccc(o1)[*:1] Clc1ccc(cc1Cl)COC1CC[NH+](CC1)C[*:1]
OCc1ccc(C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)o1 OCc1ccc(C[*:1])o1 Clc1ccc(cc1Cl)COC1CC[NH+](CC1)[*:1]
OCc1ccc(C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)o1 Clc1ccc(cc1Cl)[*:1] OCc1ccc(C[NH+]2CCC(CC2)OC[*:1])o1
O=C(c1ccccc1F)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 C1CC1[*:1] O=C(c1ccccc1F)N(Cc1c(noc1N1CCCCC1)-c1ccccc1)C[*:1]
O=C(c1ccccc1F)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 C1CCN(CC1)[*:1] O=C(c1ccccc1F)N(Cc1c(noc1[*:1])-c1ccccc1)CC1CC1
O=C(c1ccccc1F)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1F)N(Cc1c(noc1N1CCCCC1)[*:1])CC1CC1
O=C(c1ccccc1F)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 Fc1ccccc1[*:1] O=C(N(Cc1c(noc1N1CCCCC1)-c1ccccc1)CC1CC1)[*:1]
O=C(c1ccccc1F)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 C1CC1C[*:1] O=C(c1ccccc1F)N(Cc1c(noc1N1CCCCC1)-c1ccccc1)[*:1]
COc1ccc2c(ccc3c(C(C)=O)cc(C(=O)c4ccccc4)n32)c1 CC(=O)[*:1] COc1ccc2c(ccc3c(cc(C(=O)c4ccccc4)n32)[*:1])c1
COc1ccc2c(ccc3c(C(C)=O)cc(C(=O)c4ccccc4)n32)c1 c1ccc(cc1)[*:1] COc1ccc2c(ccc3c(cc(C(=O)[*:1])n32)C(C)=O)c1
COc1ccc2c(ccc3c(C(C)=O)cc(C(=O)c4ccccc4)n32)c1 O=C(c1ccccc1)[*:1] COc1ccc2c(ccc3c(cc(n32)[*:1])C(C)=O)c1
Cc1ccc(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)o1 Cc1ccc(C[*:1])o1 O=C(c1cc2ccccc2[nH]1)N1CCN(CC1)[*:1]
Cc1ccc(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)o1 Cc1ccc(o1)[*:1] O=C(c1cc2ccccc2[nH]1)N1CCN(CC1)C[*:1]
Cc1noc(-c2cc[nH+]c(NC[C@H](c3ccccc3)[NH+](C)C)c2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)-c1cc[nH+]c(c1)NC[C@H]([NH+](C)C)[*:1]
Cc1noc(-c2cc[nH+]c(NC[C@H](c3ccccc3)[NH+](C)C)c2)n1 Cc1noc(n1)[*:1] C[NH+](C)[C@H](CNc1cc(cc[nH+]1)[*:1])c1ccccc1
Cc1ccc(C(=O)NC2CC[NH+](CN3CCOC3=S)CC2)s1 S=C1OCCN1[*:1] Cc1ccc(s1)C(=O)NC1CC[NH+](CC1)C[*:1]
Cc1ccc(C(=O)NC2CC[NH+](CN3CCOC3=S)CC2)s1 Cc1ccc(s1)[*:1] O=C(NC1CC[NH+](CC1)CN1CCOC1=S)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@H](O)C(C)(C)C)cc1Cl CC(C)(C)[*:1] Cc1ccc(cc1Cl)NC(=O)C(=O)NC[C@H](O)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](OC(=O)c2cc(Cl)ccc2N)C1 CS(=O)(=O)[*:1] Nc1ccc(Cl)cc1C(=O)O[C@@H]1CCC[C@@H](C1)[*:1]
O=C(COc1ccc(-c2ccccc2)cc1)NCCc1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)[*:1])NCCc1c[nH]c2ccccc12
O=C(COc1ccc(-c2ccccc2)cc1)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(COc1ccc(cc1)-c1ccccc1)NCC[*:1]
COc1ccc(Cl)cc1Cn1ccc([C@@H]([NH3+])C2CC2)c1 C1CC1[*:1] COc1ccc(Cl)cc1Cn1ccc(c1)[C@@H]([NH3+])[*:1]
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NC2CCC(C)CC2)cs1 CC1CCC(CC1)[*:1] CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[*:1])cs1
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NC2CCC(C)CC2)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(/C=C/C(=O)NC2CCC(C)CC2)cs1)[*:1]
CCC(=O)N(C)c1ccccc1C(=O)NCc1cccc(C#N)c1 CCC(=O)N(C)[*:1] N#Cc1cccc(c1)CNC(=O)c1ccccc1[*:1]
CCC(=O)N(C)c1ccccc1C(=O)NCc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CCC(=O)N(C)c1ccccc1C(=O)NC[*:1]
CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(CN2CCC(CC2)[NH+]2CCCCC2)NC(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1 CCOC(=O)[*:1] O=C1NC(CN2CCC(CC2)[NH+]2CCCCC2)=C([C@H](N1)c1ccccc1)[*:1]
C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)c1ccccc1 NC(=O)N[*:1] C[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)[*:1]
C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)c1ccccc1 C[C@H](NC(N)=O)[*:1] C[C@@H](c1ccccc1)N(C)C(=O)[*:1]
C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(N)=O)C(=O)N(C)[C@@H](C)[*:1]
CN(Cc1cccs1)C(=O)CN1CCN(C2=[NH+]CC(C)(C)S2)CC1 c1csc(c1)C[*:1] CN(C(=O)CN1CCN(CC1)C1=[NH+]CC(C)(C)S1)[*:1]
CN(Cc1cccs1)C(=O)CN1CCN(C2=[NH+]CC(C)(C)S2)CC1 c1csc(c1)[*:1] CN(C[*:1])C(=O)CN1CCN(CC1)C1=[NH+]CC(C)(C)S1
O=[N+]([O-])c1ccccc1/C=N/N1C(=S)[NH+]=N[C@H]1c1cccc(Cl)c1 O=[N+]([O-])[*:1] S=C1[NH+]=N[C@@H](c2cccc(Cl)c2)N1/N=C/c1ccccc1[*:1]
O=[N+]([O-])c1ccccc1/C=N/N1C(=S)[NH+]=N[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=[N+]([O-])c1ccccc1/C=N/N1C(=S)[NH+]=N[C@@H]1[*:1]
Cc1ccc2nc(C)c(C(=O)NNc3cccnc3Cl)cc2c1 Clc1ncccc1[*:1] Cc1ccc2nc(C)c(cc2c1)C(=O)NN[*:1]
CSc1nc2nc(C)c(CC(=O)Oc3ccc(C#N)cc3)c(C)n2n1 N#Cc1ccc(cc1)[*:1] CSc1nc2nc(C)c(CC(=O)O[*:1])c(C)n2n1
CN(Cc1nccs1)C(=O)NCC1(c2ccc(F)cc2F)CC1 c1csc(C[*:1])n1 CN(C(=O)NCC1(CC1)c1ccc(F)cc1F)[*:1]
CN(Cc1nccs1)C(=O)NCC1(c2ccc(F)cc2F)CC1 c1csc(n1)[*:1] CN(C[*:1])C(=O)NCC1(CC1)c1ccc(F)cc1F
CN(C)C(=O)CC[NH2+]C[C@H]1Cc2ccccc2S1 CN(C)C(=O)C[*:1] c1ccc2S[C@@H](C[NH2+]C[*:1])Cc2c1
CN(C)C(=O)CC[NH2+]C[C@H]1Cc2ccccc2S1 CN(C)C(=O)[*:1] c1ccc2S[C@@H](C[NH2+]CC[*:1])Cc2c1
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1[nH]ncc1C(N)=S Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1[nH]ncc1C(N)=S
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1[nH]ncc1C(N)=S NC(=S)[*:1] C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1[nH]ncc1[*:1]
C[C@@H]1CC(NC(=O)NCC(C)(C)c2ccncc2)C[C@@H](C)O1 c1cc(ccn1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)NC(=O)NCC(C)(C)[*:1]
Cc1ccc([C@H](C)NC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)cc1F CC(C)NC(=O)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)Nc1ccc(C)c(c1)[*:1]
Cc1ccc([C@H](C)NC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)Nc1ccc(C)c(c1)C(=O)N[*:1]
Cc1ccc([C@H](C)NC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)cc1F Cc1ccc(cc1F)[*:1] Cc1ccc(cc1C(=O)NC(C)C)NC(=O)N[C@@H](C)[*:1]
COC(=O)c1cccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)c1 COC(=O)[*:1] O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(c1)[*:1]
Cc1n[nH]c(CCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)n1 c1ccc(cc1)[*:1] Cc1n[nH]c(CCN2CC(CCC2=O)(c2ccccc2)[*:1])n1
Cc1n[nH]c(CCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)n1 Cc1n[nH]c(n1)[*:1] O=C1CCC(CN1CC[*:1])(c1ccccc1)c1ccccc1
Cc1ccc(C2=C[C@@H]([C@@H]3NN[C@H](SCC(=O)Nc4cc(C)ccc4C)N3N)N=N2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CS[C@H]1NN[C@@H]([C@@H]2C=C(N=N2)[*:1])N1N
Cc1ccc(C2=C[C@@H]([C@@H]3NN[C@H](SCC(=O)Nc4cc(C)ccc4C)N3N)N=N2)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)C1=C[C@H](N=N1)[C@@H]1NN[C@H](SCC(=O)N[*:1])N1N
Cc1cccc(C)c1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 Cc1cccc(C)c1[*:1] O=C(Nc1nnc(Cc2cccc(F)c2)s1)[*:1]
Cc1cccc(C)c1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 Fc1cccc(c1)C[*:1] Cc1cccc(C)c1C(=O)Nc1nnc(s1)[*:1]
Cc1cccc(C)c1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 Fc1cccc(c1)[*:1] Cc1cccc(C)c1C(=O)Nc1nnc(C[*:1])s1
Cc1cc(OCC(=O)NC[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])OCC(=O)NC[C@@H]1COc2ccccc2O1
Cc1c(CNC2CC[NH+](C(C)C)CC2)cnn1C CC(C)[*:1] Cc1c(cnn1C)CNC1CC[NH+](CC1)[*:1]
Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1C=C[C@H](C1)[*:1]
COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] COc1cccc(OC)c1C(=O)N1CCN(CC1)C(=O)[*:1]
CCn1cc(CC(=O)N[C@H](CO)c2ccco2)c2ccccc21 c1coc(c1)[*:1] CCn1cc(CC(=O)N[C@H](CO)[*:1])c2ccccc21
C#Cc1cccc(NC(=O)CNC(=O)NCCN2CCOCC2)c1 C#Cc1cccc(c1)[*:1] O=C(CNC(=O)NCCN1CCOCC1)N[*:1]
C#Cc1cccc(NC(=O)CNC(=O)NCCN2CCOCC2)c1 C1CN(CCO1)C[*:1] C#Cc1cccc(c1)NC(=O)CNC(=O)NC[*:1]
C#Cc1cccc(NC(=O)CNC(=O)NCCN2CCOCC2)c1 C1CN(CCO1)[*:1] C#Cc1cccc(c1)NC(=O)CNC(=O)NCC[*:1]
C#Cc1cccc(NC(=O)CNC(=O)NCCN2CCOCC2)c1 C1CN(CCO1)CC[*:1] C#Cc1cccc(c1)NC(=O)CNC(=O)N[*:1]
Cc1sc(=O)n(CC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1C Cc1sc(=O)n(c1C)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)C[*:1])c1=O
Cc1sc(=O)n(CC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1C Cn1cnn(c1=O)[*:1] Cc1sc(=O)n(CC(=O)Nc2ccc(cc2)[*:1])c1C
CCOC(=O)[C@@H](F)[C@@H](C)NC[C@@H]1C[NH+]2CCN1CC2 CCOC(=O)[*:1] C[C@@H](NC[C@@H]1C[NH+]2CCN1CC2)[C@H](F)[*:1]
CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1F CCO[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)c1nc(N2CCOCC2)sc1C[NH2+]C1CC1 C1CN(CCO1)[*:1] CC(C)c1nc(sc1C[NH2+]C1CC1)[*:1]
CC(C)c1nc(N2CCOCC2)sc1C[NH2+]C1CC1 CC(C)[*:1] C1CN(CCO1)c1nc(c(C[NH2+]C2CC2)s1)[*:1]
CC(C)c1nc(N2CCOCC2)sc1C[NH2+]C1CC1 C1CC1[*:1] CC(C)c1nc(sc1C[NH2+][*:1])N1CCOCC1
O=C(NC1(c2cccc(F)c2)CCOCC1)C1CCC1 C1CC(C1)[*:1] O=C(NC1(CCOCC1)c1cccc(F)c1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 CC(=O)NC[*:1] O=C(c1csc(n1)-c1cccs1)N1CCC[C@H](C1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 c1csc(c1)[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 CC(=O)N[*:1] O=C(c1csc(n1)-c1cccs1)N1CCC[C@H](C1)C[*:1]
O=C(NC1CCCC1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 O=C(NC1CCCC1)[*:1] O=S(=O)(c1ccc(Br)cc1)N1CCC(CC1)[*:1]
O=C(NC1CCCC1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] O=C(NC1CCCC1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NC1CCCC1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 C1CCC(C1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1
Cc1cc2cc(C#N)c(N3CCCN(C(=O)Nc4ccc(F)cc4F)CC3)nc2cc1C Fc1ccc(c(F)c1)[*:1] Cc1cc2cc(C#N)c(nc2cc1C)N1CCCN(CC1)C(=O)N[*:1]
CCNC(=O)C[C@H](C[NH3+])N1CCC([NH+](C)C)CC1 CCNC(=O)C[*:1] C[NH+](C)C1CCN(CC1)[C@@H](C[NH3+])[*:1]
CCNC(=O)C[C@H](C[NH3+])N1CCC([NH+](C)C)CC1 CCNC(=O)[*:1] C[NH+](C)C1CCN(CC1)[C@@H](C[NH3+])C[*:1]
Cc1cc2oc(=O)cc(CNc3ccccc3N3CCCC3=O)c2cc1C O=C1CCCN1[*:1] Cc1cc2oc(=O)cc(CNc3ccccc3[*:1])c2cc1C
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc2cnccc12 c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](C[*:1])NC(=O)Nc1cccc2cnccc12
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc2cnccc12 CN(C)C(=O)[*:1] O=C(Nc1cccc2cnccc12)N[C@H](Cc1ccccc1)[*:1]
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cccc2cnccc12 c1ccc(cc1)C[*:1] CN(C)C(=O)[C@@H](NC(=O)Nc1cccc2cnccc12)[*:1]
COc1ccccc1CCNC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1 COc1ccccc1CC[*:1] O=C(N[*:1])c1ccc(cc1)Cn1nnc2ccccc2c1=O
COc1ccccc1CCNC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1 COc1ccccc1C[*:1] O=C(NC[*:1])c1ccc(cc1)Cn1nnc2ccccc2c1=O
COc1ccccc1CCNC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1 COc1ccccc1[*:1] O=C(NCC[*:1])c1ccc(cc1)Cn1nnc2ccccc2c1=O
O=C([C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1)N1CCCC1 O=C(N1CCCC1)[*:1] c1ccc(cc1)[C@@H](Sc1nnc(o1)-c1ccc2OCOc2c1)[*:1]
O=C([C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] O=C([C@H](Sc1nnc(o1)-c1ccc2OCOc2c1)[*:1])N1CCCC1
O=C([C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1)N1CCCC1 c1cc2OCOc2cc1[*:1] O=C([C@H](Sc1nnc(o1)[*:1])c1ccccc1)N1CCCC1
Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)Nc1ccccc1C)O2 Cc1ccccc1[*:1] Cc1ccc2O[C@](C)(C(=O)Nc2c1)C(=O)N[*:1]
O=[N+]([O-])c1ccc(-c2nc3sc4ccccc4n3c2C[NH+]2CC[NH2+]CC2)cc1 O=[N+]([O-])[*:1] c1ccc2c(c1)sc1nc(-c3ccc(cc3)[*:1])c(C[NH+]3CC[NH2+]CC3)n12
O=[N+]([O-])c1ccc(-c2nc3sc4ccccc4n3c2C[NH+]2CC[NH2+]CC2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] c1ccc2c(c1)sc1nc(c(C[NH+]3CC[NH2+]CC3)n12)[*:1]
Cc1nc(-c2cccc(-c3nc(C(C)(C)C)no3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] CC(C)(C)c1noc(n1)-c1cccc(c1)[*:1]
Cc1nc(-c2cccc(-c3nc(C(C)(C)C)no3)c2)n[nH]1 CC(C)(C)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)-c1nc(no1)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)NCc1nccn1Cc1ccccc1 Cc1noc(C)c1[*:1] C[C@@H](C(=O)NCc1nccn1Cc1ccccc1)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1noc(C)c1[C@@H](C)C(=O)NCc1nccn1[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1[C@@H](C)C(=O)NCc1nccn1C[*:1]
O=C(NC1CCCCC1)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)N(Cc1cc2cc3OCOc3cc2[nH]c1=O)C[*:1]
O=C(NC1CCCCC1)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 C1CCC(CC1)[*:1] O=C(N[*:1])N(Cc1ccccc1)Cc1cc2cc3OCOc3cc2[nH]c1=O
O=C(NC1CCCCC1)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 c1ccc(cc1)C[*:1] O=C(NC1CCCCC1)N(Cc1cc2cc3OCOc3cc2[nH]c1=O)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](CC(N)=O)C1CCCCC1 C1CCC(CC1)[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](CC(N)=O)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](CC(N)=O)C1CCCCC1 NC(=O)[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](C[*:1])C1CCCCC1
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](CC(N)=O)C1CCCCC1 NC(=O)C[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](C1CCCCC1)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](CC(N)=O)C1CCCCC1 Cc1nn(C)c(C)c1[*:1] NC(=O)C[C@@H](NC(=O)C(=O)[*:1])C1CCCCC1
Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 Cc1ccc(C=C[*:1])cc1 CN(C(=O)CNS(=O)(=O)[*:1])[C@@H]1CCCc2ccccc21
Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)CNS(=O)(=O)C=C[*:1])[C@@H]1CCCc2ccccc21
C[C@H]1CCC[C@H](C)N1C(=O)Cn1ccc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)Cn1ccc(n1)[*:1]
CCOC(=O)[C@@]1([NH2+]C)CCC[C@H](Sc2ccncc2)C1 CCOC(=O)[*:1] C[NH2+][C@]1(CCC[C@@H](C1)Sc1ccncc1)[*:1]
CCOC(=O)[C@@]1([NH2+]C)CCC[C@H](Sc2ccncc2)C1 c1cc(ccn1)[*:1] CCOC(=O)[C@]1(CCC[C@@H](C1)S[*:1])[NH2+]C
O=C(NCc1ccsc1)c1ncccc1C(F)(F)F c1cc(cs1)C[*:1] O=C(N[*:1])c1ncccc1C(F)(F)F
O=C(NCc1ccsc1)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCc1ccsc1)c1ncccc1[*:1]
O=C(NCc1ccsc1)c1ncccc1C(F)(F)F c1cc(cs1)[*:1] O=C(NC[*:1])c1ncccc1C(F)(F)F
CC[C@@H](C)[C@H](NC(=O)c1cc(SC)ccc1C)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@H](NC(=O)c1cc(ccc1C)SC)[*:1]
CC[C@@H](C)[C@H](NC(=O)c1cc(SC)ccc1C)C(N)=O CC[C@@H](C)[*:1] CSc1ccc(C)c(c1)C(=O)N[C@H](C(N)=O)[*:1]
CC(C)c1nc(CS(=O)(=O)CCC2C[C@H](C)C[C@@H](C)C2)no1 CC(C)[*:1] C[C@H]1CC(CCS(=O)(=O)Cc2noc(n2)[*:1])C[C@H](C)C1
CC(C)N(Cc1ccccc1)C(=O)[C@H](C)S(=O)(=O)c1ccc(O)cc1 c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)[C@H](C)S(=O)(=O)c1ccc(O)cc1
CC(C)N(Cc1ccccc1)C(=O)[C@H](C)S(=O)(=O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CC(C)N(Cc1ccccc1)C(=O)[C@H](C)S(=O)(=O)[*:1]
CC(C)N(Cc1ccccc1)C(=O)[C@H](C)S(=O)(=O)c1ccc(O)cc1 CC(C)[*:1] C[C@@H](C(=O)N(Cc1ccccc1)[*:1])S(=O)(=O)c1ccc(O)cc1
CC(C)N(Cc1ccccc1)C(=O)[C@H](C)S(=O)(=O)c1ccc(O)cc1 c1ccc(cc1)C[*:1] CC(C)N(C(=O)[C@H](C)S(=O)(=O)c1ccc(O)cc1)[*:1]
COC[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(F)c(F)c1 COC[*:1] Fc1ccc2c(c1)CC[C@@H]2N[C@H](c1ccc(F)c(F)c1)[*:1]
C[C@H](CC(=O)Nc1cccn(C)c1=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)Nc1cccn(C)c1=O)C[*:1]
C[C@@H](NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)[*:1]
C[C@@H](NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)c1ccccc1 Fc1ccccc1C[*:1] C[C@@H](NC(=O)Cn1ncc2c3ccccc3n(c2c1=O)[*:1])c1ccccc1
C[C@@H](NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)c1ccccc1 Fc1ccccc1[*:1] C[C@@H](NC(=O)Cn1ncc2c3ccccc3n(C[*:1])c2c1=O)c1ccccc1
CCN(CC)C(=O)c1ccc(NC(=O)NCc2cn3c(C)cccc3[nH+]2)cc1 CCN(CC)C(=O)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)Nc1ccc(cc1)[*:1]
C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 Clc1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1cccc(c1)NC(=O)c1ccco1)[*:1]
C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)NC(=O)[*:1]
C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 Clc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1cccc(c1)NC(=O)c1ccco1
O=C(NCc1cccc(COCc2ccccc2)c1)c1cc[nH]c(=O)c1 c1ccc(cc1)[*:1] O=C(NCc1cccc(c1)COC[*:1])c1cc[nH]c(=O)c1
O=C(NCc1cccc(COCc2ccccc2)c1)c1cc[nH]c(=O)c1 c1ccc(cc1)CO[*:1] O=C(NCc1cccc(c1)C[*:1])c1cc[nH]c(=O)c1
O=C(NCc1cccc(COCc2ccccc2)c1)c1cc[nH]c(=O)c1 c1ccc(cc1)C[*:1] O=C(NCc1cccc(c1)CO[*:1])c1cc[nH]c(=O)c1
O=C(NCc1cccc(COCc2ccccc2)c1)c1cc[nH]c(=O)c1 O=c1cc(cc[nH]1)[*:1] O=C(NCc1cccc(c1)COCc1ccccc1)[*:1]
Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c1C Cc1cccc(c1C)[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)C(=O)N[*:1]
Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c1C CC1CCN(CC1)[*:1] Cc1cccc(NC(=O)C(=O)NCc2ccc([nH+]c2)[*:1])c1C
Cc1oc(C)c(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1C FC(F)[*:1] Cc1oc(C)c(C(=O)Nc2ccc(O[*:1])c(F)c2)c1C
Cc1oc(C)c(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1C FC(F)O[*:1] Cc1oc(C)c(C(=O)Nc2ccc(c(F)c2)[*:1])c1C
O=C(N(c1cccc(C(F)(F)F)c1)[C@@H]1C=CS(=O)(=O)C1)C(F)(F)F FC(F)(F)[*:1] O=C(N(c1cccc(c1)C(F)(F)F)[C@@H]1C=CS(=O)(=O)C1)[*:1]
O=C(N(c1cccc(C(F)(F)F)c1)[C@@H]1C=CS(=O)(=O)C1)C(F)(F)F FC(F)(F)[*:1] O=C(N(c1cccc(c1)[*:1])[C@@H]1C=CS(=O)(=O)C1)C(F)(F)F
COCc1nc(C)cc(NC[C@H](C)c2cccs2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])NC[C@H](C)c1cccs1
COCc1nc(C)cc(NC[C@H](C)c2cccs2)n1 c1csc(c1)[*:1] COCc1nc(C)cc(n1)NC[C@H](C)[*:1]
c1ccc(-n2cccn2)c(NCc2nc3c(s2)CCC3)c1 c1cnn(c1)[*:1] c1ccc(c(c1)NCc1nc2CCCc2s1)[*:1]
COC(=O)c1cccc(C(=O)NCc2cc(C#N)ccc2F)n1 COC(=O)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1cccc(n1)[*:1]
COC(=O)[C@H](CCSC)NC(=O)Nc1cccc(Br)c1 CSCC[*:1] COC(=O)[C@H](NC(=O)Nc1cccc(Br)c1)[*:1]
COC(=O)[C@H](CCSC)NC(=O)Nc1cccc(Br)c1 COC(=O)[*:1] CSCC[C@H](NC(=O)Nc1cccc(Br)c1)[*:1]
COC(=O)[C@H](CCSC)NC(=O)Nc1cccc(Br)c1 CSC[*:1] COC(=O)[C@H](C[*:1])NC(=O)Nc1cccc(Br)c1
Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@H]2CCC[C@@]2(C)CO)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](CNC(=O)N[C@H]1CCC[C@@]1(C)CO)C[*:1]
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)c1 COc1cccc(c1)[*:1] Cc1oc(nc1CS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[*:1]
CCOCCCOc1ccccc1CO CCOC[*:1] OCc1ccccc1OCC[*:1]
CCOCCCOc1ccccc1CO CCO[*:1] OCc1ccccc1OCCC[*:1]
CCOCCCOc1ccccc1CO CCOCC[*:1] OCc1ccccc1OC[*:1]
CCN(Cc1cnn(C)c1)C(=O)C[C@H](C)c1cccc(OC)c1 Cn1cc(cn1)C[*:1] CCN(C(=O)C[C@H](C)c1cccc(c1)OC)[*:1]
CCN(Cc1cnn(C)c1)C(=O)C[C@H](C)c1cccc(OC)c1 Cn1cc(cn1)[*:1] CCN(C[*:1])C(=O)C[C@H](C)c1cccc(c1)OC
CC(=O)c1cnc2c([N+](=O)[O-])cnn2c1C CC(=O)[*:1] Cc1c(cnc2c(cnn12)[N+](=O)[O-])[*:1]
CC(=O)c1cnc2c([N+](=O)[O-])cnn2c1C O=[N+]([O-])[*:1] CC(=O)c1cnc2c(cnn2c1C)[*:1]
CSCc1ccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)cc1 CSC[*:1] O=C(NCCc1cc(F)cc2COCOc12)Nc1ccc(cc1)[*:1]
O=C([C@@H]1COc2ccc(F)cc2C1)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N1CCO[C@@H](C1)[*:1]
CC1CCN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)NC[C@@H](N1CC[NH+](C)CC1)[*:1]
CC(=O)Nc1ccc(Nc2coc3ccc4c(C)cc(=O)oc4c23)cc1 CC(=O)N[*:1] Cc1cc(=O)oc2c1ccc1occ(Nc3ccc(cc3)[*:1])c12
Cc1ccc([C@H](C/[NH+]=C/c2cc([N+](=O)[O-])ccc2[O-])N2CCOCC2)o1 O=[N+]([O-])[*:1] Cc1ccc(o1)[C@H](C/[NH+]=C/c1cc(ccc1[O-])[*:1])N1CCOCC1
Cc1ccc([C@H](C/[NH+]=C/c2cc([N+](=O)[O-])ccc2[O-])N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@H](C/[NH+]=C/c1cc(ccc1[O-])[N+](=O)[O-])[*:1]
Cc1ccc([C@H](C/[NH+]=C/c2cc([N+](=O)[O-])ccc2[O-])N2CCOCC2)o1 Cc1ccc(o1)[*:1] O=[N+]([O-])c1ccc([O-])c(/C=[NH+]/C[C@H](N2CCOCC2)[*:1])c1
O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 Clc1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)c1ccc(nn1)-c1ccccn1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 c1ccc(nc1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCN(CC1)c1ccc(nn1)[*:1]
CN(C(=O)CCCn1cncn1)c1ccc(Oc2ccccc2)cc1 c1ncn(CCC[*:1])n1 CN(C(=O)[*:1])c1ccc(cc1)Oc1ccccc1
CN(C(=O)CCCn1cncn1)c1ccc(Oc2ccccc2)cc1 c1ncn(n1)[*:1] CN(C(=O)CCC[*:1])c1ccc(cc1)Oc1ccccc1
CN(C(=O)CCCn1cncn1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C(=O)CCCn1cncn1)c1ccc(cc1)O[*:1]
CN(C(=O)CCCn1cncn1)c1ccc(Oc2ccccc2)cc1 c1ncn(CC[*:1])n1 CN(C(=O)C[*:1])c1ccc(cc1)Oc1ccccc1
CN(C(=O)CCCn1cncn1)c1ccc(Oc2ccccc2)cc1 c1ncn(C[*:1])n1 CN(C(=O)CC[*:1])c1ccc(cc1)Oc1ccccc1
CN(C(=O)CCCn1cncn1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CN(C(=O)CCCn1cncn1)c1ccc(cc1)[*:1]
[NH3+][C@@H](c1cc(Br)cs1)[C@@H]1CCOC2(CCSCC2)C1 Brc1csc(c1)[*:1] [NH3+][C@@H]([C@@H]1CCOC2(CCSCC2)C1)[*:1]
CCCc1noc(CSCC(=O)N2CCN(C(=O)C3CC3)CC2)n1 CCCc1noc(n1)[*:1] O=C(CSC[*:1])N1CCN(CC1)C(=O)C1CC1
CCCc1noc(CSCC(=O)N2CCN(C(=O)C3CC3)CC2)n1 C1CC1[*:1] CCCc1noc(CSCC(=O)N2CCN(CC2)C(=O)[*:1])n1
CCCc1noc(CSCC(=O)N2CCN(C(=O)C3CC3)CC2)n1 CCC[*:1] O=C(CSCc1nc(no1)[*:1])N1CCN(CC1)C(=O)C1CC1
CSc1cccc(C(=O)N(CC[NH+]2CCOCC2)c2nc3ccc(SC)cc3s2)c1 CSc1cccc(c1)[*:1] CSc1ccc2nc(sc2c1)N(CC[NH+]1CCOCC1)C(=O)[*:1]
CC(=O)N1CC[C@H]([NH2+][C@@H](CC2CCCCC2)c2ncccn2)C1 C1CCC(CC1)C[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](c1ncccn1)[*:1]
CC(=O)N1CC[C@H]([NH2+][C@@H](CC2CCCCC2)c2ncccn2)C1 C1CCC(CC1)[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C[*:1])c1ncccn1
CC(=O)N1CC[C@H]([NH2+][C@@H](CC2CCCCC2)c2ncccn2)C1 c1cnc(nc1)[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](CC1CCCCC1)[*:1]
Cn1ncnc1CCNC(=O)c1cc2cc(F)ccc2[nH]1 Cn1ncnc1C[*:1] O=C(NC[*:1])c1cc2cc(F)ccc2[nH]1
Cn1ncnc1CCNC(=O)c1cc2cc(F)ccc2[nH]1 Cn1ncnc1[*:1] O=C(NCC[*:1])c1cc2cc(F)ccc2[nH]1
C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1nncs1 c1nnc(s1)[*:1] C[C@@H](Cc1ccccc1Cl)NC(=O)N[*:1]
O=C(Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12)c1ccco1 c1coc(c1)[*:1] O=C(Nc1c(oc2ccccc12)-c1cc(=O)oc2cc3CCCc3cc12)[*:1]
O=C(Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12)c1ccco1 O=C(N[*:1])c1ccco1 O=c1cc(-c2oc3ccccc3c2[*:1])c2cc3CCCc3cc2o1
CC1(C)CCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC1(C)CCN(C1)C(=O)[C@@H]1CCC[C@@H]1NC(=O)O[*:1]
O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2ncccn2)C1)Nc1ncccn1 c1cnc(nc1)[*:1] O=C(NC[C@H]1CCC[C@H](CNC(=O)N[*:1])C1)Nc1ncccn1
Cc1cccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2ccc(C#CCCO)cc2)c1C Cc1cccc(c1C)[*:1] OCCC#Cc1ccc(cc1)C[NH2+][C@H]1CCCc2c1cnn2[*:1]
Cc1cccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2ccc(C#CCCO)cc2)c1C OCCC#C[*:1] Cc1cccc(c1C)-n1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(cc1)[*:1]
Cc1cccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2ccc(C#CCCO)cc2)c1C OCC[*:1] Cc1cccc(c1C)-n1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(C#C[*:1])cc1
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 C[C@H]1CCCC[C@H]1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1[nH]c2ccccc2[nH+]1
CC(C)(C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 NC(=O)[*:1] CC(C)(C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CC(C)(C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C(=O)Nc1ccc(cc1)C(N)=O)[*:1]
Cc1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CCC[C@@H]1C1CCC1
Cc1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1S(C)(=O)=O C1CC(C1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N1CCC[C@H]1[*:1]
C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(CC1)Cc1cccc(Cl)c1)[*:1]
C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)Cc1cccc(Cl)c1
C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 Clc1cccc(c1)C[*:1] C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(CC1)[*:1])c1ccccc1
C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(CC1)C[*:1])c1ccccc1
Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3C#N)s2)c1 Cc1cccc(c1)[*:1] N#Cc1ccccc1NC(=O)CSc1nnc(N[*:1])s1
Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3C#N)s2)c1 Cc1cccc(c1)N[*:1] N#Cc1ccccc1NC(=O)CSc1nnc(s1)[*:1]
Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3C#N)s2)c1 N#Cc1ccccc1[*:1] Cc1cccc(c1)Nc1nnc(SCC(=O)N[*:1])s1
Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(CC(=O)c3ccc(Cl)cc3)nc12 O=C(c1ccc(Cl)cc1)[*:1] Cn1c(=O)c2ccc(cc2n2c(=O)n(C[*:1])nc12)C(=O)NC1CCCC1
Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(CC(=O)c3ccc(Cl)cc3)nc12 C1CCC(C1)[*:1] Cn1c(=O)c2ccc(cc2n2c(=O)n(CC(=O)c3ccc(Cl)cc3)nc12)C(=O)N[*:1]
Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(CC(=O)c3ccc(Cl)cc3)nc12 O=C(NC1CCCC1)[*:1] Cn1c(=O)c2ccc(cc2n2c(=O)n(CC(=O)c3ccc(Cl)cc3)nc12)[*:1]
Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(CC(=O)c3ccc(Cl)cc3)nc12 O=C(C[*:1])c1ccc(Cl)cc1 Cn1c(=O)c2ccc(cc2n2c(=O)n(nc12)[*:1])C(=O)NC1CCCC1
Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(CC(=O)c3ccc(Cl)cc3)nc12 Clc1ccc(cc1)[*:1] Cn1c(=O)c2ccc(cc2n2c(=O)n(CC(=O)[*:1])nc12)C(=O)NC1CCCC1
Cc1ccc(-c2nnc([C@@H](C)N3CCc4c(F)ccc(F)c4C3)o2)cc1 Cc1ccc(cc1)[*:1] C[C@H](c1nnc(o1)[*:1])N1CCc2c(F)ccc(F)c2C1
CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1 CC(C)(C)NC(=O)[*:1] O=C(c1ccc(cc1)C(F)(F)F)N1C[C@H]2CCCC[C@@H]2C[C@H]1[*:1]
CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)c1ccc(cc1)[*:1]
CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1 CC(C)(C)[*:1] O=C(N[*:1])[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)c1ccc(cc1)C(F)(F)F
Cc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc(C(C)C)no1 FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)CCc1nc(no1)C(C)C)[*:1]
Cc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc(C(C)C)no1 CC(C)c1noc(n1)[*:1] Cc1ccc(cc1NC(=O)CC[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc(C(C)C)no1 CC(C)[*:1] Cc1ccc(cc1NC(=O)CCc1nc(no1)[*:1])C(F)(F)F
CC1=NN(C)c2nc3c(c(=O)n(Cc4ccc(Br)cc4)c(=O)n3C)n2[C@@H]1C Brc1ccc(cc1)[*:1] CC1=NN(C)c2nc3c(c(=O)n(C[*:1])c(=O)n3C)n2[C@@H]1C
CC1=NN(C)c2nc3c(c(=O)n(Cc4ccc(Br)cc4)c(=O)n3C)n2[C@@H]1C Brc1ccc(cc1)C[*:1] CC1=NN(C)c2nc3c(c(=O)n(c(=O)n3C)[*:1])n2[C@@H]1C
CCCc1nc(C)c(C(=O)N(C)c2ccc(Br)cn2)s1 CCC[*:1] Cc1nc(sc1C(=O)N(C)c1ccc(Br)cn1)[*:1]
COc1ccc2[nH]c(C)c(C(=O)C[NH+]3CCN(Cc4ccccc4)CC3)c2c1 c1ccc(cc1)[*:1] COc1ccc2[nH]c(C)c(C(=O)C[NH+]3CCN(CC3)C[*:1])c2c1
COc1ccc2[nH]c(C)c(C(=O)C[NH+]3CCN(Cc4ccccc4)CC3)c2c1 c1ccc(cc1)C[*:1] COc1ccc2[nH]c(C)c(C(=O)C[NH+]3CCN(CC3)[*:1])c2c1
C[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCOC1CCCCC1 O=C([O-])[*:1] C[NH2+][C@]1(CCC[C@@H]1CCOC1CCCCC1)[*:1]
C[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCOC1CCCCC1 C1CCC(CC1)[*:1] C[NH2+][C@]1(CCC[C@@H]1CCO[*:1])C(=O)[O-]
Cc1ccc(-n2c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc3ccccc3c2=O)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
Cc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)C(=O)[C@@H](C#N)C(=O)N[*:1]
Cc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c1 Cc1cccc(c1)[*:1] N#C[C@@H](C(=O)Nc1ccccn1)C(=O)[*:1]
O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCSCC1 C1CCN(C1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])N1CCSCC1
Cc1ccc2c(c1)=[NH+][C@H](/C(C#N)=C/c1ccccc1C(=O)[O-])[NH+]=2 O=C([O-])[*:1] Cc1ccc2=[NH+][C@H]([NH+]=c2c1)/C(C#N)=C/c1ccccc1[*:1]
C[C@@H](N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1)c1cnccn1 Clc1ccc(cc1)[*:1] C[C@@H](N[C@@H](CC(F)(F)F)[*:1])c1cnccn1
C[C@@H](N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1)c1cnccn1 c1cnc(cn1)[*:1] C[C@@H](N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1)[*:1]
C[C@@H](N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1)c1cnccn1 FC(F)(F)[*:1] C[C@@H](N[C@@H](C[*:1])c1ccc(Cl)cc1)c1cnccn1
C[C@@H](N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1)c1cnccn1 FC(F)(F)C[*:1] C[C@@H](N[C@@H](c1ccc(Cl)cc1)[*:1])c1cnccn1
Cc1cccc(CN[C@H](C)c2cnc(N3CCCCCCC3)nc2C)n1 Cc1cccc(C[*:1])n1 Cc1nc(ncc1[C@@H](C)N[*:1])N1CCCCCCC1
Cc1cccc(CN[C@H](C)c2cnc(N3CCCCCCC3)nc2C)n1 C1CCCN(CCC1)[*:1] Cc1cccc(CN[C@H](C)c2cnc(nc2C)[*:1])n1
Cc1cccc(CN[C@H](C)c2cnc(N3CCCCCCC3)nc2C)n1 Cc1cccc(n1)[*:1] Cc1nc(ncc1[C@@H](C)NC[*:1])N1CCCCCCC1
Cc1cc(C)c2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)sc2c1 Cc1cc(C)c2nc(sc2c1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccnc1)[*:1]
Cc1cc(C)c2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)sc2c1 c1cncc(c1)[*:1] Cc1cc(C)c2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2ccc3O[C@H](C)Cc3c2)[C@H]1[*:1]
O=C([O-])CC1(CSC[C@@H]2COc3ccccc32)CC1 O=C([O-])[*:1] c1ccc2c(c1)OC[C@H]2CSCC1(CC1)C[*:1]
O=C([O-])CC1(CSC[C@@H]2COc3ccccc32)CC1 O=C([O-])C[*:1] c1ccc2c(c1)OC[C@H]2CSCC1(CC1)[*:1]
CCCNC(=O)c1c(N)n(-c2ccc(OC)cc2OC)c2nc3ccccc3nc12 CCCNC(=O)[*:1] COc1ccc(c(c1)OC)-n1c(N)c(c2nc3ccccc3nc21)[*:1]
CCCNC(=O)c1c(N)n(-c2ccc(OC)cc2OC)c2nc3ccccc3nc12 CCC[*:1] COc1ccc(c(c1)OC)-n1c(N)c(C(=O)N[*:1])c2nc3ccccc3nc21
CCCNC(=O)c1c(N)n(-c2ccc(OC)cc2OC)c2nc3ccccc3nc12 COc1ccc(c(c1)OC)[*:1] CCCNC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)s1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(NC(=O)[*:1])s1
O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)s1)c1ccco1 O=C(NC1CC1)[*:1] O=C(Nc1ccc(s1)C(=O)Nc1ccccc1[*:1])c1ccco1
O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)s1)c1ccco1 C1CC1[*:1] O=C(Nc1ccc(s1)C(=O)Nc1ccccc1C(=O)N[*:1])c1ccco1
O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)s1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(s1)[*:1]
CC/N=C1/S[C@H](CC(=O)Nc2ccc(I)cc2)C(=O)N1CC Ic1ccc(cc1)[*:1] CC/N=C1/S[C@H](CC(=O)N[*:1])C(=O)N1CC
Cn1nc([C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)n(-c2ccccc2)c1=O O=[N+]([O-])c1ccccc1[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)[*:1])n(-c2ccccc2)c1=O
Cn1nc([C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)n(-c2ccccc2)c1=O O=[N+]([O-])[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)c2ccccc2[*:1])n(-c2ccccc2)c1=O
Cn1nc([C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)c2ccccc2[N+](=O)[O-])n(c1=O)[*:1]
CC1(C)CC[C@](C[NH3+])(CCOCC(F)(F)F)[C@H]1O FC(F)(F)CO[*:1] CC1(C)CC[C@](C[NH3+])(CC[*:1])[C@H]1O
CC1(C)CC[C@](C[NH3+])(CCOCC(F)(F)F)[C@H]1O FC(F)(F)[*:1] CC1(C)CC[C@](C[NH3+])(CCOC[*:1])[C@H]1O
CC1(C)CC[C@](C[NH3+])(CCOCC(F)(F)F)[C@H]1O FC(F)(F)C[*:1] CC1(C)CC[C@](C[NH3+])(CCO[*:1])[C@H]1O
CCS(=O)(=O)[N-]c1ccc([C@@H](C)[NH2+]Cc2ccnn2C)cc1 Cn1nccc1C[*:1] CCS(=O)(=O)[N-]c1ccc(cc1)[C@@H](C)[NH2+][*:1]
CCS(=O)(=O)[N-]c1ccc([C@@H](C)[NH2+]Cc2ccnn2C)cc1 Cn1nccc1[*:1] CCS(=O)(=O)[N-]c1ccc(cc1)[C@@H](C)[NH2+]C[*:1]
COc1ccc(Cn2c(CNC(=O)c3ccc(OC)cc3)nc3cccnc32)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NCc1nc2cccnc2n1C[*:1]
COc1ccc(Cn2c(CNC(=O)c3ccc(OC)cc3)nc3cccnc32)cc1 COc1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)NCc1nc2cccnc2n1[*:1]
COc1ccc(Cn2c(CNC(=O)c3ccc(OC)cc3)nc3cccnc32)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)Cn1c(CNC(=O)[*:1])nc2cccnc21
CC(C)n1ncc2cc(/C=C/C(=O)Oc3ccccc3Cl)c(=O)[nH]c21 Clc1ccccc1[*:1] CC(C)n1ncc2cc(/C=C/C(=O)O[*:1])c(=O)[nH]c21
CC(C)n1ncc2cc(/C=C/C(=O)Oc3ccccc3Cl)c(=O)[nH]c21 CC(C)[*:1] O=C(/C=C/c1cc2cnn(c2[nH]c1=O)[*:1])Oc1ccccc1Cl
Cn1ccc(-c2nnc(NC(=O)Cc3ccccc3Cl)o2)n1 Clc1ccccc1[*:1] Cn1ccc(n1)-c1nnc(NC(=O)C[*:1])o1
Cn1ccc(-c2nnc(NC(=O)Cc3ccccc3Cl)o2)n1 Cn1ccc(n1)[*:1] O=C(Cc1ccccc1Cl)Nc1nnc(o1)[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] CCC(CC)S(=O)(=O)/N=C(\[O-])c1cccc(c1)[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])c1cccc(-c2ccoc2)c1 CCC(CC)[*:1] O=S(=O)(/N=C(\[O-])c1cccc(c1)-c1ccoc1)[*:1]
CCC[NH2+][C@H](Cc1nc(C)cs1)[C@@H](C)OC CO[C@H](C)[*:1] CCC[NH2+][C@H](Cc1nc(C)cs1)[*:1]
CCC[NH2+][C@H](Cc1nc(C)cs1)[C@@H](C)OC CCC[*:1] CO[C@H](C)[C@@H](Cc1nc(C)cs1)[NH2+][*:1]
CCc1nc(CCNC(=O)[C@@H]2CC(=O)Nc3ccc(OC)cc32)cs1 CCc1nc(cs1)C[*:1] COc1ccc2NC(=O)C[C@@H](C(=O)NC[*:1])c2c1
CCc1nc(CCNC(=O)[C@@H]2CC(=O)Nc3ccc(OC)cc32)cs1 CCc1nc(cs1)[*:1] COc1ccc2NC(=O)C[C@@H](C(=O)NCC[*:1])c2c1
CCNC(=O)c1cccc(C[NH2+][C@H](c2ccccc2C)C(C)C)c1 Cc1ccccc1[*:1] CCNC(=O)c1cccc(c1)C[NH2+][C@H](C(C)C)[*:1]
CCNC(=O)c1cccc(C[NH2+][C@H](c2ccccc2C)C(C)C)c1 CC(C)[*:1] CCNC(=O)c1cccc(c1)C[NH2+][C@H](c1ccccc1C)[*:1]
CCNC(=O)c1cccc(C[NH2+][C@H](c2ccccc2C)C(C)C)c1 CCNC(=O)[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1cccc(c1)[*:1])C(C)C
COC(=O)[C@@H]1CCCCN1C(=O)c1cc2c(C(C)C)nn(C)c2s1 CC(C)[*:1] COC(=O)[C@@H]1CCCCN1C(=O)c1cc2c(nn(C)c2s1)[*:1]
COC(=O)[C@@H]1CCCCN1C(=O)c1cc2c(C(C)C)nn(C)c2s1 COC(=O)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N1CCCC[C@H]1[*:1]
Cc1ccc(C(C)(C)C(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(C)(C)C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
Cc1ccc(C(C)(C)C(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C(=O)N1CCC[C@@H](C1)C(=O)NCC(F)(F)F)[*:1]
Cc1ccc(C(C)(C)C(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)C(C)(C)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccc(C(C)(C)C(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)cc1 O=C(NCC(F)(F)F)[*:1] Cc1ccc(cc1)C(C)(C)C(=O)N1CCC[C@H](C1)[*:1]
CNC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)CC1 COc1ccc(cc1)[*:1] CNC(=O)C1CCN(CC1)C(=O)c1cc(C)n(n1)[*:1]
CNC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)CC1 CNC(=O)[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)N1CCC(CC1)[*:1]
O=C1C[C@@H](C(=O)N2CCC[C@H]2c2cccs2)CN1c1ccccc1Br Brc1ccccc1[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC[C@H]1c1cccs1
O=C1C[C@@H](C(=O)N2CCC[C@H]2c2cccs2)CN1c1ccccc1Br c1csc(c1)[*:1] O=C1C[C@H](CN1c1ccccc1Br)C(=O)N1CCC[C@@H]1[*:1]
COc1ccc(S(=O)(=O)/N=C(\[O-])c2cc3c(s2)CCC3)cc1OC c1c(sc2CCCc12)[*:1] COc1ccc(cc1OC)S(=O)(=O)/N=C(\[O-])[*:1]
O=C(c1ccc(O)cc1)N1CCC([NH+]2CCSCC2)CC1 Oc1ccc(cc1)[*:1] O=C(N1CCC(CC1)[NH+]1CCSCC1)[*:1]
CCOC(=O)CCC(=O)c1ccccc1Cl CCOC(=O)[*:1] O=C(CC[*:1])c1ccccc1Cl
C/[NH+]=C(/NCCS(=O)(=O)C(C)(C)C)N1CCN(c2cccc(C)c2)CC1 CC(C)(C)S(=O)(=O)[*:1] C/[NH+]=C(/NCC[*:1])N1CCN(CC1)c1cccc(C)c1
C/[NH+]=C(/NCCS(=O)(=O)C(C)(C)C)N1CCN(c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] C/[NH+]=C(/NCCS(=O)(=O)C(C)(C)C)N1CCN(CC1)[*:1]
C/[NH+]=C(/NCCS(=O)(=O)C(C)(C)C)N1CCN(c2cccc(C)c2)CC1 CC(C)(C)S(=O)(=O)C[*:1] C/[NH+]=C(/NC[*:1])N1CCN(CC1)c1cccc(C)c1
C/[NH+]=C(/NCCS(=O)(=O)C(C)(C)C)N1CCN(c2cccc(C)c2)CC1 CC(C)(C)[*:1] C/[NH+]=C(/NCCS(=O)(=O)[*:1])N1CCN(CC1)c1cccc(C)c1
Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)[nH]c(=O)c21 Cc1ccccc1NC(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nc2NC(=O)C[C@@H](c2c(=O)[nH]1)[*:1]
Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)[nH]c(=O)c21 Cc1ccccc1[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
Cc1cnc(C(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3=O)C2)cn1 c1ccc(cc1)CC[*:1] Cc1cnc(cn1)C(=O)N1CC[C@]2(CCCN(C2=O)[*:1])C1
Cc1cnc(C(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3=O)C2)cn1 c1ccc(cc1)C[*:1] Cc1cnc(cn1)C(=O)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
Cc1cnc(C(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3=O)C2)cn1 c1ccc(cc1)[*:1] Cc1cnc(cn1)C(=O)N1CC[C@]2(CCCN(CC[*:1])C2=O)C1
Cc1cnc(C(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3=O)C2)cn1 Cc1cnc(cn1)[*:1] O=C1N(CCC[C@]12CCN(C2)C(=O)[*:1])CCc1ccccc1
O=C(NC[C@@H]1COc2ccccc2O1)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)C[*:1] O=C(NC[C@@H]1COc2ccccc2O1)Nc1cccc(c1)O[*:1]
O=C(NC[C@@H]1COc2ccccc2O1)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)[*:1] O=C(NC[C@@H]1COc2ccccc2O1)Nc1cccc(c1)OC[*:1]
O=C(NC[C@@H]1COc2ccccc2O1)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] O=C(NC[C@@H]1COc2ccccc2O1)Nc1cccc(c1)[*:1]
CCOCCOc1ccc(CO)nc1 CCOC[*:1] OCc1ccc(cn1)OC[*:1]
CCOCCOc1ccc(CO)nc1 CCO[*:1] OCc1ccc(cn1)OCC[*:1]
CCOC(=O)CS[C@@H]1N=NC(=O)[C@@H]2C[C@@H](c3cccs3)NN12 CCOC(=O)CS[*:1] O=C1N=N[C@H](N2N[C@@H](C[C@@H]12)c1cccs1)[*:1]
CCOC(=O)CS[C@@H]1N=NC(=O)[C@@H]2C[C@@H](c3cccs3)NN12 c1csc(c1)[*:1] CCOC(=O)CS[C@@H]1N=NC(=O)[C@@H]2C[C@@H](NN12)[*:1]
CCOC(=O)CS[C@@H]1N=NC(=O)[C@@H]2C[C@@H](c3cccs3)NN12 CCOC(=O)C[*:1] O=C1N=N[C@@H](S[*:1])N2N[C@@H](C[C@@H]12)c1cccs1
CCOC(=O)CS[C@@H]1N=NC(=O)[C@@H]2C[C@@H](c3cccs3)NN12 CCOC(=O)[*:1] O=C1N=N[C@@H](SC[*:1])N2N[C@@H](C[C@@H]12)c1cccs1
C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F O=[N+]([O-])[*:1] C[C@H]([NH2+]Cc1cccc(c1)[*:1])c1cc(F)ccc1F
COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4cc(C)ccc4C)c(=O)[nH]3)CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)Cn1nnc2c(=O)[nH]c(nc21)C1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4cc(C)ccc4C)c(=O)[nH]3)CC2)cc1 Cc1ccc(C)c(c1)C[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)c1nc2c(nnn2[*:1])c(=O)[nH]1
COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4cc(C)ccc4C)c(=O)[nH]3)CC2)cc1 Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)c1nc2c(nnn2C[*:1])c(=O)[nH]1
O=C(OCc1csc(-c2cccs2)n1)c1ccc(N2CCCC2=O)cc1 c1csc(c1)[*:1] O=C(OCc1csc(n1)[*:1])c1ccc(cc1)N1CCCC1=O
O=C(OCc1csc(-c2cccs2)n1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(OCc1csc(n1)-c1cccs1)c1ccc(cc1)[*:1]
CC[C@H](C(C)=O)[C@@H]1CC[C@H](C)[C@H](C)C1 CC(=O)[*:1] CC[C@H]([C@@H]1CC[C@H](C)[C@H](C)C1)[*:1]
C[C@@H](NC(=O)c1ccc(C(N)=O)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(N)=O)[*:1]
C[C@@H](NC(=O)c1ccc(C(N)=O)cc1)c1ccncc1 NC(=O)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccncc1
Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(O)cc3O)c3c(C)noc3n2)s1 Oc1ccc(c(O)c1)[*:1] Cc1ccc(s1)-c1cc(C(=O)OCC(=O)[*:1])c2c(C)noc2n1
Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(O)cc3O)c3c(C)noc3n2)s1 O=C(c1ccc(O)cc1O)[*:1] Cc1ccc(s1)-c1cc(C(=O)OC[*:1])c2c(C)noc2n1
Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(O)cc3O)c3c(C)noc3n2)s1 Cc1ccc(s1)[*:1] Cc1noc2nc(cc(C(=O)OCC(=O)c3ccc(O)cc3O)c12)[*:1]
CO[C@H]1CCC[C@@H]1OC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] CO[C@H]1CCC[C@@H]1OC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)(C)c1ccc(C(=O)COC(=O)c2cccc(-n3cnnn3)c2)cc1 CC(C)(C)[*:1] O=C(COC(=O)c1cccc(c1)-n1cnnn1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)COC(=O)c2cccc(-n3cnnn3)c2)cc1 c1nnnn1[*:1] CC(C)(C)c1ccc(cc1)C(=O)COC(=O)c1cccc(c1)[*:1]
FC(F)(F)c1cccc(Cn2nnnc2-c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] FC(F)(F)c1cccc(c1)Cn1nnnc1[*:1]
FC(F)(F)c1cccc(Cn2nnnc2-c2ccc(Cl)cc2)c1 FC(F)(F)[*:1] Clc1ccc(cc1)-c1nnnn1Cc1cccc(c1)[*:1]
CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4cccnc4)[C@H]32)cc1OC CCOc1ccc(cc1OC)[*:1] Clc1ccc2O[C@H]([C@H]3C(=Nc4ncnn4[C@@H]3c3cccnc3)c2c1)[*:1]
CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4cccnc4)[C@H]32)cc1OC c1cncc(c1)[*:1] CCOc1ccc(cc1OC)[C@@H]1Oc2ccc(Cl)cc2C2=Nc3ncnn3[C@H]([C@H]21)[*:1]
CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4cccnc4)[C@H]32)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1Oc2ccc(Cl)cc2C2=Nc3ncnn3[C@H](c3cccnc3)[C@H]21
O=C(CN1C(=O)[C@H](C(=O)N2CCCCC2)Sc2ccccc21)NCCC1=CCCCC1 O=C(N1CCCCC1)[*:1] O=C(CN1C(=O)[C@H](Sc2ccccc21)[*:1])NCCC1=CCCCC1
O=C(CS(=O)(=O)c1ccc2ccccc2n1)NCC1(c2ccccc2)CC1 c1ccc(cc1)C1(CC1)[*:1] O=C(CS(=O)(=O)c1ccc2ccccc2n1)NC[*:1]
O=C(CS(=O)(=O)c1ccc2ccccc2n1)NCC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1ccc2ccccc2n1)NCC1(CC1)[*:1]
CC(C)[NH+](C)CCOC(=O)c1ccccc1 CC(C)[*:1] C[NH+](CCOC(=O)c1ccccc1)[*:1]
C[C@H](C(=O)N1CCn2nc(C(=O)NCc3ccccn3)cc2C1)[NH+](C)C c1ccc(C[*:1])nc1 C[C@H](C(=O)N1CCn2nc(cc2C1)C(=O)N[*:1])[NH+](C)C
C[C@H](C(=O)N1CCn2nc(C(=O)NCc3ccccn3)cc2C1)[NH+](C)C c1ccc(nc1)[*:1] C[C@H](C(=O)N1CCn2nc(cc2C1)C(=O)NC[*:1])[NH+](C)C
Cc1ncsc1-c1nnc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)o1 Fc1ccc(cc1F)[*:1] Cc1ncsc1-c1nnc(o1)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1ncsc1-c1nnc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)o1 Cc1ncsc1[*:1] O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1nnc(o1)[*:1]
COc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c(OC)cc1Cl Cc1ccc(cc1)[*:1] COc1cc(NC(=O)CN2C(=O)N[C@](C)(C2=O)[*:1])c(cc1Cl)OC
Cc1cc(C(=O)N2CCN(C(=O)Cn3ccccc3=O)CC2)c(C)o1 O=c1ccccn1C[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(C(=O)Cn3ccccc3=O)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(Cn1ccccc1=O)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)Cn3ccccc3=O)CC2)c(C)o1 O=c1ccccn1[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)C[*:1])c(C)o1
O=[N+]([O-])c1cnn(CCN2CCOC[C@@H]2C2CC2)c1 O=[N+]([O-])[*:1] c1nn(cc1[*:1])CCN1CCOC[C@@H]1C1CC1
O=[N+]([O-])c1cnn(CCN2CCOC[C@@H]2C2CC2)c1 C1CC1[*:1] O=[N+]([O-])c1cnn(c1)CCN1CCOC[C@H]1[*:1]
CCC(C)(C)[NH+](C)Cc1cnn(C(C)(C)C)c1 CCC(C)(C)[*:1] C[NH+](Cc1cnn(c1)C(C)(C)C)[*:1]
CCC(C)(C)[NH+](C)Cc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] CCC(C)(C)[NH+](C)Cc1cnn(c1)[*:1]
COc1ccc(S(=O)(=O)NCc2cccn2Cc2cccc(F)c2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(NCc1cccn1Cc1cccc(F)c1)[*:1]
COc1ccc(S(=O)(=O)NCc2cccn2Cc2cccc(F)c2)cc1 Fc1cccc(c1)C[*:1] COc1ccc(cc1)S(=O)(=O)NCc1cccn1[*:1]
COc1ccc(S(=O)(=O)NCc2cccn2Cc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)NCc1cccn1C[*:1]
NC(=O)[C@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)c2ccccc21 NC(=O)[*:1] O=C(c1ccn(n1)-c1ccc(F)cc1)N1CC[C@@H](c2ccccc21)[*:1]
NC(=O)[C@H]1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)c2ccccc21 Fc1ccc(cc1)[*:1] NC(=O)[C@H]1CCN(C(=O)c2ccn(n2)[*:1])c2ccccc21
CCCCN1C[C@@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1=O CCC[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CCCCN1C[C@@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1=O CCCC[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CCCc1nc(CN(C)CCC#N)cs1 CCC[*:1] CN(CCC#N)Cc1csc(n1)[*:1]
CCCc1nc(CN(C)CCC#N)cs1 N#CCC[*:1] CCCc1nc(cs1)CN(C)[*:1]
CCCc1nc(CN(C)CCC#N)cs1 N#CC[*:1] CCCc1nc(cs1)CN(C)C[*:1]
CCN(C(C)=O)c1nc(/C=C2\CCc3ccccc3C2=O)cs1 CCN(C(C)=O)[*:1] O=C1/C(=C/c2csc(n2)[*:1])CCc2ccccc21
Cc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)NC(=S)NNC(=O)C[*:1]
Cc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NC(=S)NNC(=O)CC[*:1]
Cc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1ccccc1)NNC(=S)NC(=O)[*:1]
Cc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)C(=O)NC(=S)NNC(=O)[*:1]
NC(=[NH2+])NS(=O)(=O)c1ccc(/N=C/c2c3ccccc3nc3cc(Cl)ccc23)cc1 NC(=[NH2+])NS(=O)(=O)[*:1] Clc1ccc2c(/C=N/c3ccc(cc3)[*:1])c3ccccc3nc2c1
O=C(NCCN1CCOCC1)c1ccc(-n2cccn2)cc1 C1CN(CCO1)C[*:1] O=C(NC[*:1])c1ccc(cc1)-n1cccn1
O=C(NCCN1CCOCC1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=C(NCCN1CCOCC1)c1ccc(cc1)[*:1]
O=C(NCCN1CCOCC1)c1ccc(-n2cccn2)cc1 C1CN(CCO1)[*:1] O=C(NCC[*:1])c1ccc(cc1)-n1cccn1
CC1=CC2=C(C(N)=O)C(=O)O[C@]2(C)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CC1=CC2=C(C(N)=O)C(=O)O[C@]2(C)[C@@H](C1)[*:1]
CC1=CC2=C(C(N)=O)C(=O)O[C@]2(C)[C@@H](c2ccccc2)C1 NC(=O)[*:1] CC1=CC2=C(C(=O)O[C@]2(C)[C@H](C1)c1ccccc1)[*:1]
O=C(N[C@@H]1C(=O)NN[C@H]1c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1C(=O)NN[C@@H]1[*:1])c1ccc(F)cc1
O=C(N[C@@H]1C(=O)NN[C@H]1c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1NN[C@@H](c2ccccc2)[C@@H]1NC(=O)[*:1]
O=C(NCCCO)c1cnn2c1OCCC2 OCC[*:1] O=C(NC[*:1])c1cnn2CCCOc12
O=C(NCCCO)c1cnn2c1OCCC2 OCCC[*:1] O=C(N[*:1])c1cnn2CCCOc12
O=C(CN1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CN1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1)NC[*:1]
O=C(CN1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CN1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1)N[*:1]
Cc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1NC(=O)c1ccco1 NC(=O)C[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)Nc1nc(cs1)[*:1]
Cc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1NC(=O)c1ccco1 NC(=O)[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)Nc1nc(cs1)C[*:1]
Cc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1NC(=O)c1ccco1 NC(=O)Cc1csc(n1)[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1[*:1])C(=O)Nc1nc(cs1)CC(N)=O
Cc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)Nc1nc(cs1)CC(N)=O
O=C(CCSc1ccccc1)N1CCC(CSc2ccccn2)CC1 c1ccc(cc1)S[*:1] O=C(CC[*:1])N1CCC(CC1)CSc1ccccn1
O=C(CCSc1ccccc1)N1CCC(CSc2ccccn2)CC1 c1ccc(cc1)[*:1] O=C(CCS[*:1])N1CCC(CC1)CSc1ccccn1
O=C(CCSc1ccccc1)N1CCC(CSc2ccccn2)CC1 c1ccc(cc1)SC[*:1] O=C(C[*:1])N1CCC(CC1)CSc1ccccn1
O=C(CCSc1ccccc1)N1CCC(CSc2ccccn2)CC1 c1ccc(nc1)SC[*:1] O=C(CCSc1ccccc1)N1CCC(CC1)[*:1]
O=C(CCSc1ccccc1)N1CCC(CSc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(CCSc1ccccc1)N1CCC(CC1)CS[*:1]
O=C(CCSc1ccccc1)N1CCC(CSc2ccccn2)CC1 c1ccc(nc1)S[*:1] O=C(CCSc1ccccc1)N1CCC(CC1)C[*:1]
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cccc2c1OCC(=O)N2 FC(F)(F)C[*:1] CC(C)[C@@H](C)N(C(=O)c1cccc2NC(=O)COc21)[*:1]
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cccc2c1OCC(=O)N2 CC(C)[C@@H](C)[*:1] O=C1COc2c(cccc2C(=O)N(CC(F)(F)F)[*:1])N1
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cccc2c1OCC(=O)N2 FC(F)(F)[*:1] CC(C)[C@@H](C)N(C[*:1])C(=O)c1cccc2NC(=O)COc21
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cccc2c1OCC(=O)N2 CC(C)[*:1] C[C@@H](N(CC(F)(F)F)C(=O)c1cccc2NC(=O)COc21)[*:1]
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)[nH]n1 Cc1cc([nH]n1)[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[*:1]
Cc1cc(S(=O)(=O)N[C@H](c2nccs2)C2CC2)c(F)cc1F c1csc(n1)[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)N[C@H](C1CC1)[*:1]
Cc1cc(S(=O)(=O)N[C@H](c2nccs2)C2CC2)c(F)cc1F C1CC1[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)N[C@H](c1nccs1)[*:1]
CC(C)(C(=O)Nc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 c1ccc(cc1)C[*:1] CC(C)(C(=O)Nc1ccc2OCOc2c1)N(C(=O)Cn1nnc2ccccc21)[*:1]
CC(C)(C(=O)Nc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 c1cc2OCOc2cc1[*:1] CC(C)(C(=O)N[*:1])N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
CC(C)(C(=O)Nc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 c1ccc2c(c1)nnn2[*:1] CC(C)(C(=O)Nc1ccc2OCOc2c1)N(Cc1ccccc1)C(=O)C[*:1]
CC(C)(C(=O)Nc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 c1ccc(cc1)[*:1] CC(C)(C(=O)Nc1ccc2OCOc2c1)N(C[*:1])C(=O)Cn1nnc2ccccc21
CC(C)(C(=O)Nc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 c1ccc2c(c1)nnn2C[*:1] CC(C)(C(=O)Nc1ccc2OCOc2c1)N(Cc1ccccc1)C(=O)[*:1]
O=C(Nc1cnc2ccccc2c1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] O=C(Nc1cnc2ccccc2c1)c1cccc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
O=C(Nc1cnc2ccccc2c1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 c1ccc2ncc(cc2c1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1
Cc1n[nH]c(C)c1CCC(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1n[nH]c(C)c1CCC(=O)N1CCC(CC1)OC[*:1]
Cc1n[nH]c(C)c1CCC(=O)N1CCC(OCc2ccccc2F)CC1 Cc1n[nH]c(C)c1[*:1] O=C(CC[*:1])N1CCC(CC1)OCc1ccccc1F
Cc1n[nH]c(C)c1CCC(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] Cc1n[nH]c(C)c1CCC(=O)N1CCC(CC1)O[*:1]
Cc1n[nH]c(C)c1CCC(=O)N1CCC(OCc2ccccc2F)CC1 Cc1n[nH]c(C)c1C[*:1] O=C(C[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(CCn1cccn1)N[C@H]1CC[NH2+]C1 c1cnn(c1)[*:1] O=C(CC[*:1])N[C@H]1CC[NH2+]C1
C[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(Cl)nc(Cl)c1 Clc1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)c1cc(Cl)nc(Cl)c1
Cn1nccc1CN1CCC[C@H](CN2CCOCC2)C1 Cn1nccc1[*:1] C1C[C@H](CN2CCOCC2)CN(C1)C[*:1]
Cn1nccc1CN1CCC[C@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] Cn1nccc1CN1CCC[C@@H](C1)C[*:1]
CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CN(C)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1[*:1]
CCOC(=O)C[C@H](C)CNC(=O)N1CCC[C@H]1c1ccccc1 CCOC(=O)[*:1] C[C@H](CNC(=O)N1CCC[C@H]1c1ccccc1)C[*:1]
CCOC(=O)C[C@H](C)CNC(=O)N1CCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C[C@H](C)CNC(=O)N1CCC[C@@H]1[*:1]
CCOC(=O)C[C@H](C)CNC(=O)N1CCC[C@H]1c1ccccc1 CCOC(=O)C[*:1] C[C@H](CNC(=O)N1CCC[C@H]1c1ccccc1)[*:1]
Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1F)N1C(=O)CS[C@H]1c1cccc(c1)[*:1]
COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3snnc3C)nc12 Cc1nnsc1[*:1] COc1ccc(C)c2sc(nc12)N(CC[NH+](C)C)C(=O)[*:1]
Cc1cc(C)cc(N2CCC(C(=O)[C@H](C#N)c3ccccn3)=C2[O-])c1 c1ccc(nc1)[*:1] Cc1cc(C)cc(c1)N1CCC(C(=O)[C@H](C#N)[*:1])=C1[O-]
Cc1cc(C)cc(N2CCC(C(=O)[C@H](C#N)c3ccccn3)=C2[O-])c1 Cc1cc(C)cc(c1)[*:1] N#C[C@@H](C(=O)C1CCN(C=1[O-])[*:1])c1ccccn1
CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)[*:1]
CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1 CCOC(=O)C[*:1] O=C(NC(=S)N1CCNC(=O)[C@@H]1[*:1])c1cccc(Cl)c1
CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1 CCOC(=O)[*:1] O=C(NC(=S)N1CCNC(=O)[C@@H]1C[*:1])c1cccc(Cl)c1
COc1cccc([C@@H](C)[NH+]2CCN(Cc3cccc4cn[nH]c34)CC2)c1 COc1cccc(c1)[*:1] C[C@@H]([NH+]1CCN(CC1)Cc1cccc2cn[nH]c12)[*:1]
CCCCOc1ccc(CN2C(=O)C3(OCCCO3)c3c(C)ccc(C)c32)cc1OC CCCC[*:1] COc1cc(ccc1O[*:1])CN1C(=O)C2(OCCCO2)c2c(C)ccc(C)c21
CCCCOc1ccc(CN2C(=O)C3(OCCCO3)c3c(C)ccc(C)c32)cc1OC CCCCO[*:1] COc1cc(ccc1[*:1])CN1C(=O)C2(OCCCO2)c2c(C)ccc(C)c21
CCCCOc1ccc(CN2C(=O)C3(OCCCO3)c3c(C)ccc(C)c32)cc1OC CCC[*:1] COc1cc(ccc1OC[*:1])CN1C(=O)C2(OCCCO2)c2c(C)ccc(C)c21
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cccnc1N1CCCC1 C1CCN(C1)[*:1] O=C(Nc1cccc(c1)OC[C@H]1CCCO1)c1cccnc1[*:1]
O=C(/C=C\c1ccc(F)cc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] O=C([O-])[*:1] O=C(/C=C\c1ccc(F)cc1)N[C@H](Cc1c[nH]c2ccccc12)[*:1]
O=C(/C=C\c1ccc(F)cc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] Fc1ccc(cc1)[*:1] O=C(C=C[*:1])N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(OCC)c2)s1 CCC[*:1] CCOc1cccc(c1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1c1nnc(s1)[*:1]
CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(OCC)c2)s1 CCOc1cccc(c1)[*:1] CCCc1nnc(s1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1[*:1]
CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(OCC)c2)s1 CCO[*:1] CCCc1nnc(s1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(c1)[*:1]
CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(OCC)c2)s1 CCCc1nnc(s1)[*:1] CCOc1cccc(c1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
Cc1c(C(=O)NC2CCCCCC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12 O=C(NC1CCCCCC1)[*:1] Cc1c(sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12)[*:1]
Cc1c(C(=O)NC2CCCCCC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12 C1CCCC(CC1)[*:1] Cc1c(sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12)C(=O)N[*:1]
O=C(CN1C(=O)C2(CCOCC2)c2ccccc21)NCc1ccc(CC(=O)NC2CC2)cc1 C1CC1[*:1] O=C(CN1C(=O)C2(CCOCC2)c2ccccc21)NCc1ccc(cc1)CC(=O)N[*:1]
O=C(CN1C(=O)C2(CCOCC2)c2ccccc21)NCc1ccc(CC(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] O=C(CN1C(=O)C2(CCOCC2)c2ccccc21)NCc1ccc(cc1)C[*:1]
O=C(CN1C(=O)C2(CCOCC2)c2ccccc21)NCc1ccc(CC(=O)NC2CC2)cc1 O=C(C[*:1])NC1CC1 O=C(CN1C(=O)C2(CCOCC2)c2ccccc21)NCc1ccc(cc1)[*:1]
CCOC(=O)CCC(=O)N1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1 CCOC(=O)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)CC[*:1])[C@@H]1CCS(=O)(=O)C1
CCOC(=O)CCC(=O)N1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1 CCOC(=O)CC[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
CCOC(=O)CCC(=O)N1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1 CCOC(=O)C[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)C[*:1])[C@@H]1CCS(=O)(=O)C1
CCN[C@@H](Cc1ncnn1C(C)C)C[NH+](C)C CC(C)[*:1] CCN[C@@H](Cc1ncnn1[*:1])C[NH+](C)C
CCN[C@@H](Cc1ncnn1C(C)C)C[NH+](C)C CCN[*:1] CC(C)n1ncnc1C[C@@H](C[NH+](C)C)[*:1]
COc1ccc([C@H](C)NC(=O)N(C)C2CCCCC2)cc1F C1CCC(CC1)[*:1] COc1ccc(cc1F)[C@H](C)NC(=O)N(C)[*:1]
CC(C)CO[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 CC(C)CO[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)N1CC[C@@H](C1)[*:1]
CC(C)CO[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 CC(C)[*:1] CC(C)CO[C@H]1CCN(C1)C(=O)C(=O)Nc1nn(cc1C#N)[*:1]
CC(C)CO[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 CC(C)C[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)N1CC[C@@H](C1)O[*:1]
CC(C)CO[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 CC(C)[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)N1CC[C@@H](C1)OC[*:1]
O=C(NC1CC1)c1ccc(OC[C@H]2CCCN2C(=O)[C@H]2CCCO2)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(cc1)OC[C@H]1CCCN1C(=O)[C@H]1CCCO1
O=C(NC1CC1)c1ccc(OC[C@H]2CCCN2C(=O)[C@H]2CCCO2)cc1 O=C(NC1CC1)[*:1] O=C([C@H]1CCCO1)N1CCC[C@@H]1COc1ccc(cc1)[*:1]
Cn1c(=O)c2c(SCC(=O)NC3CCCC3)nc(-c3cccs3)nc2n(C)c1=O O=C(NC1CCCC1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1cccs1)SC[*:1]
Cn1c(=O)c2c(SCC(=O)NC3CCCC3)nc(-c3cccs3)nc2n(C)c1=O c1csc(c1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)[*:1])SCC(=O)NC1CCCC1
Cn1c(=O)c2c(SCC(=O)NC3CCCC3)nc(-c3cccs3)nc2n(C)c1=O C1CCC(C1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1cccs1)SCC(=O)N[*:1]
Cn1c(=O)c2c(SCC(=O)NC3CCCC3)nc(-c3cccs3)nc2n(C)c1=O O=C(C[*:1])NC1CCCC1 Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1cccs1)S[*:1]
O=C(c1ccc(-c2cnco2)cc1)N1CCC[NH+](C2CC2)CC1 c1ncc(o1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[NH+](CC1)C1CC1
O=C(c1ccc(-c2cnco2)cc1)N1CCC[NH+](C2CC2)CC1 C1CC1[*:1] O=C(c1ccc(cc1)-c1cnco1)N1CCC[NH+](CC1)[*:1]
COc1ccc(OCC(=O)Nn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)Nn1c(nc2ccccc2c1=O)[*:1]
COc1ccc(OCC(=O)Nn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc2ccccc2c(=O)n1NC(=O)CO[*:1]
COc1ccc(OCC(=O)Nn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 COc1ccc(cc1)OC[*:1] COc1ccc(cc1)-c1nc2ccccc2c(=O)n1NC(=O)[*:1]
COc1ccc(OCC(=O)Nn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 COc1ccc(cc1)O[*:1] COc1ccc(cc1)-c1nc2ccccc2c(=O)n1NC(=O)C[*:1]
Cc1cccc2sc(NC(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 O=[N+]([O-])[*:1] Cc1cccc2sc(nc12)NC(=O)CCNS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cccc2sc(NC(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cccc2sc(nc12)NC(=O)CCNS(=O)(=O)[*:1]
O=C1CCCCN1c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 O=C1CCCCN1[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN(CC1)c1ncccn1
O=C1CCCCN1c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 c1cnc(nc1)[*:1] O=C1CCCCN1c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
COc1ccc(CN(C)c2ccc(-c3nc(C(C)C)no3)cc2[N+](=O)[O-])cc1 COc1ccc(cc1)C[*:1] CC(C)c1noc(n1)-c1ccc(c(c1)[N+](=O)[O-])N(C)[*:1]
COc1ccc(CN(C)c2ccc(-c3nc(C(C)C)no3)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)CN(C)c1ccc(cc1[*:1])-c1nc(no1)C(C)C
COc1ccc(CN(C)c2ccc(-c3nc(C(C)C)no3)cc2[N+](=O)[O-])cc1 COc1ccc(cc1)[*:1] CC(C)c1noc(n1)-c1ccc(c(c1)[N+](=O)[O-])N(C)C[*:1]
COc1ccc(CN(C)c2ccc(-c3nc(C(C)C)no3)cc2[N+](=O)[O-])cc1 CC(C)c1noc(n1)[*:1] COc1ccc(cc1)CN(C)c1ccc(cc1[N+](=O)[O-])[*:1]
COc1ccc(CN(C)c2ccc(-c3nc(C(C)C)no3)cc2[N+](=O)[O-])cc1 CC(C)[*:1] COc1ccc(cc1)CN(C)c1ccc(cc1[N+](=O)[O-])-c1nc(no1)[*:1]
C[C@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ncn(n1)[*:1]
C[C@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]([C@H](C)N1C(=O)c1ncn(n1)-c1ccccc1)[*:1]
CCCc1nnc(NC(=O)N(C)C[C@H]2CCOC2)s1 C1C[C@@H](CO1)C[*:1] CCCc1nnc(NC(=O)N(C)[*:1])s1
CCCc1nnc(NC(=O)N(C)C[C@H]2CCOC2)s1 C1C[C@@H](CO1)[*:1] CCCc1nnc(NC(=O)N(C)C[*:1])s1
CCCc1nnc(NC(=O)N(C)C[C@H]2CCOC2)s1 CCC[*:1] CN(C[C@H]1CCOC1)C(=O)Nc1nnc(s1)[*:1]
Cc1cc(=O)[nH]c(C[NH2+]C2CCN(c3cccc(-c4cccc(F)c4)c3)CC2)n1 Fc1cccc(c1)[*:1] Cc1cc(=O)[nH]c(C[NH2+]C2CCN(CC2)c2cccc(c2)[*:1])n1
COCc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc(C)cc2)CC1 COC[*:1] Cc1ccc(cc1)NC(=O)N1CCC(CC1)n1c(nc2cccnc21)[*:1]
COCc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] COCc1nc2cccnc2n1C1CCN(CC1)C(=O)N[*:1]
C=CCOc1c(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cccc1OC C=CCO[*:1] COc1cccc(c1)C1=N/C(=C/c2cccc(OC)c2[*:1])C(=O)O1
C=CCOc1c(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cccc1OC COc1cccc(c1)[*:1] C=CCOc1c(/C=C2/N=C(OC2=O)[*:1])cccc1OC
C=CCOc1c(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cccc1OC C=CC[*:1] COc1cccc(c1)C1=N/C(=C/c2cccc(OC)c2O[*:1])C(=O)O1
Cc1cccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)n1 Cc1cccc(n1)[*:1] O=C(Nc1nc(cs1)-c1cc(Cl)ccc1Cl)[*:1]
CC/[NH+]=C(/NCc1cccc2ccccc12)N1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] CC/[NH+]=C(/NCc1cccc2ccccc12)N1CC[C@H](C1)C[*:1]
CC/[NH+]=C(/NCc1cccc2ccccc12)N1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] CC/[NH+]=C(/NCc1cccc2ccccc12)N1CC[C@@H](C1)[*:1]
Cc1cnc([C@H](NC(=O)Nc2cncc3ccccc23)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H](NC(=O)Nc1cncc2ccccc12)[*:1]
Cc1cnc([C@H](NC(=O)Nc2cncc3ccccc23)C2CC2)s1 Cc1cnc(s1)[*:1] O=C(Nc1cncc2ccccc12)N[C@H](C1CC1)[*:1]
CN(C)C(=O)/C(C#N)=C1/C(=O)Nc2ccccc21 CN(C)C(=O)[*:1] N#CC(=C1C(=O)Nc2ccccc21)[*:1]
CCc1cccc2sc(N3CCN(C(=O)c4cccc(Br)c4)CC3)nc12 Brc1cccc(c1)[*:1] CCc1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
CC(C)[C@H](C)NC(=O)CS(=O)(=O)Cc1cn2ccccc2n1 CC(C)[C@H](C)[*:1] O=C(CS(=O)(=O)Cc1cn2ccccc2n1)N[*:1]
CC(C)[C@H](C)NC(=O)CS(=O)(=O)Cc1cn2ccccc2n1 CC(C)[*:1] C[C@H](NC(=O)CS(=O)(=O)Cc1cn2ccccc2n1)[*:1]
CCCC(=O)N1CCC(C(=O)N(Cc2ccc(C)o2)C(C)C)CC1 Cc1ccc(C[*:1])o1 CCCC(=O)N1CCC(CC1)C(=O)N(C(C)C)[*:1]
CCCC(=O)N1CCC(C(=O)N(Cc2ccc(C)o2)C(C)C)CC1 CCC[*:1] Cc1ccc(CN(C(=O)C2CCN(CC2)C(=O)[*:1])C(C)C)o1
CCCC(=O)N1CCC(C(=O)N(Cc2ccc(C)o2)C(C)C)CC1 Cc1ccc(o1)[*:1] CCCC(=O)N1CCC(CC1)C(=O)N(C[*:1])C(C)C
CCCC(=O)N1CCC(C(=O)N(Cc2ccc(C)o2)C(C)C)CC1 CC(C)[*:1] CCCC(=O)N1CCC(CC1)C(=O)N(Cc1ccc(C)o1)[*:1]
N#Cc1cccc(NC(=O)CCCOc2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)CCCO[*:1]
O=C([O-])c1nccnc1C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C([O-])c1nccnc1C(=O)N1CCC(CC1)[*:1]
O=C([O-])c1nccnc1C(=O)N1CCC(Cc2ccccc2)CC1 O=C([O-])[*:1] O=C(c1nccnc1[*:1])N1CCC(CC1)Cc1ccccc1
O=C([O-])c1nccnc1C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([O-])c1nccnc1C(=O)N1CCC(CC1)C[*:1]
COc1cccc([C@@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)c1 COc1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2[*:1])c1nc[nH]n1
Clc1cccnc1-n1ccc(NCc2ccoc2)n1 c1cc(co1)C[*:1] Clc1cccnc1-n1ccc(n1)N[*:1]
Clc1cccnc1-n1ccc(NCc2ccoc2)n1 c1cc(co1)[*:1] Clc1cccnc1-n1ccc(n1)NC[*:1]
CCNC(=O)C[C@H](NCC(F)(F)F)C(N)=O NC(=O)[*:1] CCNC(=O)C[C@H](NCC(F)(F)F)[*:1]
CCNC(=O)C[C@H](NCC(F)(F)F)C(N)=O FC(F)(F)[*:1] CCNC(=O)C[C@H](NC[*:1])C(N)=O
CCNC(=O)C[C@H](NCC(F)(F)F)C(N)=O CCNC(=O)[*:1] NC(=O)[C@H](C[*:1])NCC(F)(F)F
CCNC(=O)C[C@H](NCC(F)(F)F)C(N)=O FC(F)(F)C[*:1] CCNC(=O)C[C@H](N[*:1])C(N)=O
CC[NH+]1CCN(c2nc(N(C)C)nc3c2cnn3C)CC1 CN(C)[*:1] CC[NH+]1CCN(CC1)c1nc(nc2c1cnn2C)[*:1]
COc1ccccc1/C=C(/C)C[NH2+]C(C)C CC(C)[*:1] COc1ccccc1/C=C(/C)C[NH2+][*:1]
O=C([O-])CN(CC(F)(F)F)c1nc(-c2ccccc2)cs1 O=C([O-])C[*:1] FC(F)(F)CN(c1nc(cs1)-c1ccccc1)[*:1]
O=C([O-])CN(CC(F)(F)F)c1nc(-c2ccccc2)cs1 FC(F)(F)C[*:1] O=C([O-])CN(c1nc(cs1)-c1ccccc1)[*:1]
O=C([O-])CN(CC(F)(F)F)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C([O-])CN(CC(F)(F)F)c1nc(cs1)[*:1]
O=C([O-])CN(CC(F)(F)F)c1nc(-c2ccccc2)cs1 O=C([O-])[*:1] FC(F)(F)CN(C[*:1])c1nc(cs1)-c1ccccc1
O=C([O-])CN(CC(F)(F)F)c1nc(-c2ccccc2)cs1 FC(F)(F)[*:1] O=C([O-])CN(C[*:1])c1nc(cs1)-c1ccccc1
O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCN(CC1)S(=O)(=O)[*:1]
C=CCn1c([C@@H]2CC(=O)N(Cc3cccs3)C2)nc2ccccc21 C=CC[*:1] O=C1C[C@H](CN1Cc1cccs1)c1nc2ccccc2n1[*:1]
C=CCn1c([C@@H]2CC(=O)N(Cc3cccs3)C2)nc2ccccc21 c1csc(c1)[*:1] C=CCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)C[*:1]
C=CCn1c([C@@H]2CC(=O)N(Cc3cccs3)C2)nc2ccccc21 c1csc(c1)C[*:1] C=CCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)COc1nc(N(C)c2ccccc2)ccc1N CC(C)C[*:1] CN(c1ccccc1)c1ccc(N)c(n1)O[*:1]
CC(C)COc1nc(N(C)c2ccccc2)ccc1N c1ccc(cc1)[*:1] CC(C)COc1nc(ccc1N)N(C)[*:1]
CC(C)COc1nc(N(C)c2ccccc2)ccc1N CC(C)[*:1] CN(c1ccccc1)c1ccc(N)c(n1)OC[*:1]
CC(C)COc1nc(N(C)c2ccccc2)ccc1N CC(C)CO[*:1] CN(c1ccccc1)c1ccc(N)c(n1)[*:1]
CC[C@H](C#N)[C@@H](O)CC(C)C CC(C)[*:1] CC[C@H](C#N)[C@@H](O)C[*:1]
O=C(CC1CCCC1)[C@@H]1C[NH+]2CCN1CC2 C1CCC(C1)[*:1] O=C(C[*:1])[C@@H]1C[NH+]2CCN1CC2
O=C(Nc1ccccc1-c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1[*:1])N1CCN(CC1)c1cccc[nH+]1
CCCCn1nc(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)c2ccccc2c1=O CCC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)c1nn(C[*:1])c(=O)c2ccccc12
CCCCn1nc(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)c2ccccc2c1=O CCCC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)/C=C(/C)c1ccc(F)cc1F CC[C@H](C)NC(=O)[*:1] C/C(=C/C(=O)N[C@H](C)[*:1])c1ccc(F)cc1F
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)/C=C(/C)c1ccc(F)cc1F CC[C@H](C)[*:1] C/C(=C/C(=O)N[C@H](C)C(=O)N[*:1])c1ccc(F)cc1F
CCCCSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 CCCCS[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc2OCOc2c1
CCCCSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 CCC[*:1] O=C(Nc1nnc(SC[*:1])s1)c1ccc2OCOc2c1
CCCCSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 CCCC[*:1] O=C(Nc1nnc(S[*:1])s1)c1ccc2OCOc2c1
Cc1c(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cnn1C(C)C Fc1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@H](c1nccn1C)[*:1]
Cc1c(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C
Cc1c(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cnn1C(C)C Cn1ccnc1[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
C[C@@H](NC(=O)NCc1cccc([N+]2=CCCC2)c1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)NCc1cccc(c1)[N+]1=CCCC1)[*:1]
Cc1c(NC(=O)C[C@@H]2CCCO2)cccc1S(=O)(=O)NC1CC1 C1CO[C@@H](C1)[*:1] Cc1c(cccc1S(=O)(=O)NC1CC1)NC(=O)C[*:1]
Cc1c(NC(=O)C[C@@H]2CCCO2)cccc1S(=O)(=O)NC1CC1 C1CO[C@@H](C1)C[*:1] Cc1c(cccc1S(=O)(=O)NC1CC1)NC(=O)[*:1]
Cc1c(NC(=O)C[C@@H]2CCCO2)cccc1S(=O)(=O)NC1CC1 O=S(=O)(NC1CC1)[*:1] Cc1c(cccc1[*:1])NC(=O)C[C@@H]1CCCO1
Cc1c(NC(=O)C[C@@H]2CCCO2)cccc1S(=O)(=O)NC1CC1 C1CC1[*:1] Cc1c(cccc1S(=O)(=O)N[*:1])NC(=O)C[C@@H]1CCCO1
CCOc1ccnc(N2CCCN(Cc3c[nH]nc3C(C)(C)C)CC2)n1 CC(C)(C)[*:1] CCOc1ccnc(n1)N1CCCN(CC1)Cc1c[nH]nc1[*:1]
CCOc1ccnc(N2CCCN(Cc3c[nH]nc3C(C)(C)C)CC2)n1 CCO[*:1] CC(C)(C)c1n[nH]cc1CN1CCCN(CC1)c1nccc(n1)[*:1]
O=C1CC(=O)N(c2ccccc2Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C1CC(=O)N(C1)c1ccccc1C[*:1]
CC(C)CC1CCN(C(=O)C(=O)Nc2ccc([S@](C)=O)c(F)c2)CC1 CC(C)C[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)N1CCC(CC1)[*:1]
CC(C)CC1CCN(C(=O)C(=O)Nc2ccc([S@](C)=O)c(F)c2)CC1 CC(C)[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)N1CCC(CC1)C[*:1]
C[C@H](NC(=O)N(C)C1CC1)c1cccc(-n2ccnc2)c1 C1CC1[*:1] C[C@H](NC(=O)N(C)[*:1])c1cccc(c1)-n1ccnc1
C[C@H](NC(=O)N(C)C1CC1)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] C[C@H](NC(=O)N(C)C1CC1)c1cccc(c1)[*:1]
CCCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3)nc21 CCCC[*:1] COC(=O)c1cc(nc2c1c(=O)[nH]c(=S)n2[*:1])-c1ccccc1
CCCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3)nc21 CCC[*:1] COC(=O)c1cc(nc2c1c(=O)[nH]c(=S)n2C[*:1])-c1ccccc1
CCCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] CCCCn1c(=S)[nH]c(=O)c2c(cc(nc21)[*:1])C(=O)OC
CCCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3)nc21 COC(=O)[*:1] CCCCn1c(=S)[nH]c(=O)c2c(cc(nc21)-c1ccccc1)[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(-n2cccn2)nc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)Nc1ccc(nc1)-n1cccn1)[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(-n2cccn2)nc1)c1ccc(Cl)cc1 CC(C)[*:1] O=C(Nc1ccc(nc1)-n1cccn1)[C@@H](c1ccc(Cl)cc1)[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(-n2cccn2)nc1)c1ccc(Cl)cc1 c1cnn(c1)[*:1] CC(C)[C@@H](C(=O)Nc1ccc(nc1)[*:1])c1ccc(Cl)cc1
O=C(NCc1ncccc1F)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(NCc1ncccc1F)N[C@H]1CCCC[C@H]1O[*:1]
O=C(NCc1ncccc1F)N[C@H]1CCCC[C@H]1OC1CCCC1 Fc1cccnc1[*:1] O=C(NC[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
O=C(NCc1ncccc1F)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(NCc1ncccc1F)N[C@H]1CCCC[C@@H]1[*:1]
O=C(NCc1ncccc1F)N[C@H]1CCCC[C@H]1OC1CCCC1 Fc1cccnc1C[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)N[*:1]
CC(=O)O[C@H]1CC[C@H](S(C)(=O)=O)C1 CC(=O)O[*:1] CS(=O)(=O)[C@H]1CC[C@@H](C1)[*:1]
CC(=O)O[C@H]1CC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC(=O)O[C@H]1CC[C@H](C1)[*:1]
Cc1cccc2cc(C(=O)N3CC[C@]4(CCCN(CCO)C4=O)C3)n(C)c12 OCC[*:1] Cc1cccc2cc(C(=O)N3CC[C@]4(CCCN(C4=O)[*:1])C3)n(C)c12
Cc1ccccc1OCC(=O)OCc1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1ccccc1OCC(=O)OC[*:1]
CC(C)C[C@@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C CC(C)[*:1] C[C@H](C[*:1])[NH2+][C@H](C)C(=O)OC(C)(C)C
CC(C)C[C@@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)C[C@@H](C)[NH2+][C@H](C)C(=O)O[*:1]
CC(C)C[C@@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C CC(C)C[*:1] C[C@@H]([NH2+][C@H](C)[*:1])C(=O)OC(C)(C)C
O=C(Nc1ccc(Br)cc1)C1CN(C(=O)c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=C(Nc1ccc(Br)cc1)C1CN(C1)C(=O)[*:1]
O=C(Nc1ccc(Br)cc1)C1CN(C(=O)c2ccc(F)c(F)c2)C1 Brc1ccc(cc1)[*:1] O=C(N[*:1])C1CN(C1)C(=O)c1ccc(F)c(F)c1
CCc1ccc[n+](-c2nc([O-])sc2/C=N/NC(N)=O)c1 NC(=O)NN=C[*:1] CCc1ccc[n+](c1)-c1nc([O-])sc1[*:1]
COCCCCCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] COCCCCCNC(=O)N1CC[C@@H](C)C[C@@H]1[*:1]
COCCCCCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1 COCCCC[*:1] Cc1ccc(o1)[C@@H]1C[C@H](C)CCN1C(=O)NC[*:1]
COCCCCCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1 COCCCCC[*:1] Cc1ccc(o1)[C@@H]1C[C@H](C)CCN1C(=O)N[*:1]
COCCCCCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1 COCCC[*:1] Cc1ccc(o1)[C@@H]1C[C@H](C)CCN1C(=O)NCC[*:1]
COCCCCCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1 COC[*:1] Cc1ccc(o1)[C@@H]1C[C@H](C)CCN1C(=O)NCCCC[*:1]
COCCCCCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1 COCC[*:1] Cc1ccc(o1)[C@@H]1C[C@H](C)CCN1C(=O)NCCC[*:1]
CCOC(=O)c1c(-n2cccc2)sc2c1CCCC2=O c1ccn(c1)[*:1] CCOC(=O)c1c(sc2C(=O)CCCc21)[*:1]
CCOC(=O)c1c(-n2cccc2)sc2c1CCCC2=O CCOC(=O)[*:1] O=C1CCCc2c1sc(c2[*:1])-n1cccc1
O=C(C[C@@H]1C(=O)Nc2c(-c3ccc(F)cc3)cnn21)Nc1cccc(OC(F)(F)F)c1 Fc1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)Nc2c(cnn21)[*:1])Nc1cccc(c1)OC(F)(F)F
O=C(C[C@@H]1C(=O)Nc2c(-c3ccc(F)cc3)cnn21)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] O=C(C[C@@H]1C(=O)Nc2c(cnn21)-c1ccc(F)cc1)Nc1cccc(c1)[*:1]
O=C(C[C@@H]1C(=O)Nc2c(-c3ccc(F)cc3)cnn21)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] O=C(C[C@@H]1C(=O)Nc2c(cnn21)-c1ccc(F)cc1)Nc1cccc(c1)O[*:1]
COCc1ccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1 COC[*:1] O=c1[nH]cnc2cc(NCc3ccc(cc3)[*:1])c(cc12)[N+](=O)[O-]
COCc1ccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COCc1ccc(cc1)CNc1cc2nc[nH]c(=O)c2cc1[*:1]
Cc1ccc(N2C(=O)CS[C@]23C(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc23)cc1 O=C(C[*:1])Nc1ccc(F)cc1 Cc1ccc(cc1)N1C(=O)CS[C@]12C(=O)N(c1ccccc12)[*:1]
Cc1ccc(N2C(=O)CS[C@]23C(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc23)cc1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccc(cc1)N1C(=O)CS[C@]12C(=O)N(C[*:1])c1ccccc12
Cc1ccc(N2C(=O)CS[C@]23C(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C(CN1C(=O)[C@]2(SCC(=O)N2[*:1])c2ccccc21)Nc1ccc(F)cc1
Cc1ccc(N2C(=O)CS[C@]23C(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc23)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)CS[C@]12C(=O)N(CC(=O)N[*:1])c1ccccc12
O=C(Nc1cnn(-c2ncccn2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cnn(c1)-c1ncccn1)[*:1]
O=C(Nc1cnn(-c2ncccn2)c1)c1ccc(F)cc1 c1cnc(nc1)[*:1] O=C(Nc1cnn(c1)[*:1])c1ccc(F)cc1
CCCc1c(C(=O)[O-])nnn1-c1cc(OC)ccc1F O=C([O-])[*:1] CCCc1c(nnn1-c1cc(ccc1F)OC)[*:1]
CCCc1c(C(=O)[O-])nnn1-c1cc(OC)ccc1F CCC[*:1] COc1ccc(F)c(c1)-n1nnc(C(=O)[O-])c1[*:1]
Cc1cccc(CN(Cc2cccc(C)[nH+]2)Cc2ccccc2C#N)n1 N#Cc1ccccc1[*:1] Cc1cccc(CN(Cc2cccc(C)[nH+]2)C[*:1])n1
Cc1cccc(CN(Cc2cccc(C)[nH+]2)Cc2ccccc2C#N)n1 Cc1cccc(n1)[*:1] Cc1cccc(CN(Cc2ccccc2C#N)C[*:1])[nH+]1
Cc1cccc(CN(Cc2cccc(C)[nH+]2)Cc2ccccc2C#N)n1 Cc1cccc(C[*:1])n1 Cc1cccc(CN(Cc2ccccc2C#N)[*:1])[nH+]1
COc1ccc(/N=C2\NS(=O)(=O)C(c3ccccc3)=C2C)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)/N=C1\NS(=O)(=O)C(=C1C)[*:1]
CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)[C@@H]2COc3ccccc3O2)[nH]c1=O CCc1c(C)nc([nH]c1=O)[*:1] O=C(Nc1cc(nn1[*:1])-c1ccco1)[C@@H]1COc2ccccc2O1
CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)[C@@H]2COc3ccccc3O2)[nH]c1=O c1coc(c1)[*:1] CCc1c(C)nc([nH]c1=O)-n1nc(cc1NC(=O)[C@@H]1COc2ccccc2O1)[*:1]
C=CCNC(=O)CCNC(=O)c1ccccc1 C=CC[*:1] O=C(CCNC(=O)c1ccccc1)N[*:1]
COc1ccc(-c2cc(-c3cc(OC)ccc3OC)n3ncnc3n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)-c1cc(nc2ncnn12)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCC(=O)N(C)C CN(C)C(=O)CC[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCC(=O)N(C)C c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)NCCC(=O)N(C)C
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCC(=O)N(C)C c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CNC(=O)NCCC(=O)N(C)C)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCC(=O)N(C)C CN(C)C(=O)C[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NC[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCC(=O)N(C)C CN(C)C(=O)[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCC[*:1]
Cn1c(=O)c2c(nc(N3CCCCC3)n2CC/[NH+]=C2\CCCN2)n(C)c1=O C1CCN(CC1)[*:1] Cn1c(=O)c2c(nc(n2CC/[NH+]=C2\CCCN2)[*:1])n(C)c1=O
C[C@@H](O)C[NH2+][C@H](C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C C[C@@H](O)[*:1] C[C@H](C[C@@H]1CCCCN1C(=O)OC(C)(C)C)[NH2+]C[*:1]
C[C@@H](O)C[NH2+][C@H](C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H](O)C[NH2+][C@H](C)C[C@@H]1CCCCN1C(=O)O[*:1]
O=C(Nc1ncc(-c2ccccc2)s1)N[C@@H]1CCN(C(=O)c2ccccn2)C1 c1ccc(cc1)[*:1] O=C(Nc1ncc(s1)[*:1])N[C@@H]1CCN(C1)C(=O)c1ccccn1
O=C(Nc1ncc(-c2ccccc2)s1)N[C@@H]1CCN(C(=O)c2ccccn2)C1 c1ccc(nc1)[*:1] O=C(Nc1ncc(s1)-c1ccccc1)N[C@@H]1CCN(C1)C(=O)[*:1]
C[C@H]1CCc2sc(C(=O)NNC(=O)C(C)(C)C)cc2C1 CC(C)(C)[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)NNC(=O)[*:1]
Cc1cccc(CN(C)C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)n1 Cc1cccc(n1)[*:1] CN(C[*:1])C(=O)[C@]1(CC[NH2+]C1)C(F)(F)F
Cc1cccc(CN(C)C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)n1 FC(F)(F)[*:1] Cc1cccc(CN(C)C(=O)[C@]2(CC[NH2+]C2)[*:1])n1
[NH3+]C[C@H]1CC[C@H](c2ccccc2)C[C@H]1n1cccn1 c1ccc(cc1)[*:1] [NH3+]C[C@H]1CC[C@H](C[C@H]1n1cccn1)[*:1]
[NH3+]C[C@H]1CC[C@H](c2ccccc2)C[C@H]1n1cccn1 c1cnn(c1)[*:1] [NH3+]C[C@H]1CC[C@@H](C[C@@H]1[*:1])c1ccccc1
CC(=O)c1ccc(OCc2nc(-c3ccco3)oc2C)cc1F CC(=O)[*:1] Cc1oc(nc1COc1ccc(c(F)c1)[*:1])-c1ccco1
CC(=O)c1ccc(OCc2nc(-c3ccco3)oc2C)cc1F c1coc(c1)[*:1] CC(=O)c1ccc(cc1F)OCc1nc(oc1C)[*:1]
O=[N+]([O-])c1ccc(/C=[NH+]/[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(/C=[NH+]/[C@H](CO)[C@H](O)c2ccc(cc2)[*:1])cc1
O=[N+]([O-])c1ccc(/C=[NH+]/[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@@H](CO)/[NH+]=C/c1ccc(cc1)[*:1]
O=C(Cc1ccc(NC(=O)c2cccc3ccccc23)cc1)NC1CC1 O=C(NC1CC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cccc2ccccc12
O=C(Cc1ccc(NC(=O)c2cccc3ccccc23)cc1)NC1CC1 C1CC1[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cccc2ccccc12)N[*:1]
O=C(Cc1ccc(NC(=O)c2cccc3ccccc23)cc1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Nc1ccc(cc1)[*:1])c1cccc2ccccc12
COc1ccc(CNC(=O)[C@@H](OC(C)=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)[C@@H](OC(C)=O)[*:1]
COc1ccc(CNC(=O)[C@@H](OC(C)=O)c2ccccc2)cc1 CC(=O)O[*:1] COc1ccc(cc1)CNC(=O)[C@@H](c1ccccc1)[*:1]
C[C@@H](NC(=O)CCCc1ccccc1)c1cc2c(cc1Br)OCCO2 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)CC[*:1])c1cc2OCCOc2cc1Br
C[C@@H](NC(=O)CCCc1ccccc1)c1cc2c(cc1Br)OCCO2 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCC[*:1])c1cc2OCCOc2cc1Br
C[C@@H](NC(=O)CCCc1ccccc1)c1cc2c(cc1Br)OCCO2 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)C[*:1])c1cc2OCCOc2cc1Br
O=C(C[C@H](O)c1ccccc1)N[C@H](CCO)C1CC1 C1CC1[*:1] O=C(C[C@H](O)c1ccccc1)N[C@H](CCO)[*:1]
O=C(C[C@H](O)c1ccccc1)N[C@H](CCO)C1CC1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N[C@H](CCO)C1CC1
O=C(C[C@H](O)c1ccccc1)N[C@H](CCO)C1CC1 OCC[*:1] O=C(C[C@H](O)c1ccccc1)N[C@H](C1CC1)[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 c1cncc(c1)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCc1cccnc1)c1ccccc1NS(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 c1cncc(c1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccccc1C(=O)NC[*:1]
Cc1cc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c2ncccc2c1 C1CCC(CC1)[*:1] Cc1cc(NC(=O)C(=O)NC[C@@H]([NH+](C)C)[*:1])c2ncccc2c1
CCCNC(=O)CNC(=O)NC1CCC(O)CC1 CCCNC(=O)[*:1] O=C(NC[*:1])NC1CCC(O)CC1
CCCNC(=O)CNC(=O)NC1CCC(O)CC1 CCC[*:1] O=C(CNC(=O)NC1CCC(O)CC1)N[*:1]
Cc1ccccc1N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] Cc1ccccc1N1CC[NH+](C/C=C\c2ccccc2[*:1])CC1
Cc1ccccc1N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 Cc1ccccc1[*:1] O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(CC1)[*:1]
CCn1ccc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 CCn1ccc(n1)[*:1] CN(C[*:1])C(=O)c1cc(nc2ncnn12)-c1ccc(F)cc1
CCn1ccc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 Fc1ccc(cc1)[*:1] CCn1ccc(CN(C)C(=O)c2cc(nc3ncnn23)[*:1])n1
CCn1ccc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1 CCn1ccc(C[*:1])n1 CN(C(=O)c1cc(nc2ncnn12)-c1ccc(F)cc1)[*:1]
CCC[NH2+][C@@H](Cc1ccc(OC)nc1)c1cnn(C)c1 Cn1cc(cn1)[*:1] CCC[NH2+][C@@H](Cc1ccc(nc1)OC)[*:1]
CCC[NH2+][C@@H](Cc1ccc(OC)nc1)c1cnn(C)c1 CCC[*:1] COc1ccc(cn1)C[C@H]([NH2+][*:1])c1cnn(C)c1
CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]([C@H](O)c2[nH+]ccn2C)C1 CCc1nn(C)cc1[*:1] Cn1cc[nH+]c1[C@@H](O)[C@@H]1CCCN(C1)C(=O)NC[*:1]
Cc1cnc2c(c1)nc(N)n2[C@@H](C)CN1CCOCC1 C1CN(CCO1)[*:1] Cc1cnc2c(c1)nc(N)n2[C@@H](C)C[*:1]
O=C1Nc2cc(S(=O)(=O)NCCN3CCOCC3)ccc2S[C@H]1C(=O)N1CCCCCC1 C1CN(CCO1)[*:1] O=C1Nc2cc(ccc2S[C@H]1C(=O)N1CCCCCC1)S(=O)(=O)NCC[*:1]
O=C1Nc2cc(S(=O)(=O)NCCN3CCOCC3)ccc2S[C@H]1C(=O)N1CCCCCC1 C1CN(CCO1)C[*:1] O=C1Nc2cc(ccc2S[C@H]1C(=O)N1CCCCCC1)S(=O)(=O)NC[*:1]
O=C1Nc2cc(S(=O)(=O)NCCN3CCOCC3)ccc2S[C@H]1C(=O)N1CCCCCC1 C1CN(CCO1)CC[*:1] O=C1Nc2cc(ccc2S[C@H]1C(=O)N1CCCCCC1)S(=O)(=O)N[*:1]
O=C1Nc2cc(S(=O)(=O)NCCN3CCOCC3)ccc2S[C@H]1C(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=C1Nc2cc(ccc2S[C@@H]1[*:1])S(=O)(=O)NCCN1CCOCC1
Cc1ccc2nc(COc3cccc(C(=O)N4CCC[C@@H](O)C4)c3)cn2c1 O=C(N1CCC[C@@H](O)C1)[*:1] Cc1ccc2nc(cn2c1)COc1cccc(c1)[*:1]
CCS[C@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](CCO)C1 CCS[*:1] O=C(N[C@@H]1CCCC[C@@H]1[*:1])N1CCC[C@H](CCO)C1
CCS[C@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](CCO)C1 OCC[*:1] CCS[C@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](C1)[*:1]
Cc1cccc(C(=O)NNC(=O)[C@@H](C)Nc2cccc(C)c2C)c1 Cc1cccc(c1)[*:1] Cc1cccc(N[C@H](C)C(=O)NNC(=O)[*:1])c1C
Cc1cccc(C(=O)NNC(=O)[C@@H](C)Nc2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] Cc1cccc(c1)C(=O)NNC(=O)[C@@H](C)N[*:1]
C=CC[NH2+][C@H](C(=O)[O-])c1cnn(C)c1C O=C([O-])[*:1] C=CC[NH2+][C@H](c1cnn(C)c1C)[*:1]
C=CC[NH2+][C@H](C(=O)[O-])c1cnn(C)c1C C=CC[*:1] Cc1c(cnn1C)[C@H]([NH2+][*:1])C(=O)[O-]
C[C@]1(C(=O)NCCc2nnc(-c3ccccc3)o2)CC1(Cl)Cl c1ccc(cc1)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NCCc1nnc(o1)[*:1]
O=C(/C=C/c1ccncc1)NC1(c2ccc(F)cc2)CCCC1 Fc1ccc(cc1)[*:1] O=C(/C=C/c1ccncc1)NC1(CCCC1)[*:1]
O=C(/C=C/c1ccncc1)NC1(c2ccc(F)cc2)CCCC1 c1cc(ccn1)[*:1] O=C(C=C[*:1])NC1(CCCC1)c1ccc(F)cc1
CCS(=O)(=O)C[C@H](C)N(C)C(=O)/C=C/c1cccc(F)c1 CCS(=O)(=O)C[*:1] C[C@H](N(C)C(=O)/C=C/c1cccc(F)c1)[*:1]
CCS(=O)(=O)C[C@H](C)N(C)C(=O)/C=C/c1cccc(F)c1 Fc1cccc(c1)[*:1] CCS(=O)(=O)C[C@H](C)N(C)C(=O)C=C[*:1]
CCS(=O)(=O)C[C@H](C)N(C)C(=O)/C=C/c1cccc(F)c1 CCS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C)C(=O)/C=C/c1cccc(F)c1
CC(C)n1ncc2cc(C(=O)N3CCc4[nH+]nc(N)cc4C3)cnc21 CC(C)[*:1] Nc1cc2CN(CCc2[nH+]n1)C(=O)c1cnc2c(cnn2[*:1])c1
COc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccn1)cn2C c1ccc(nc1)[*:1] COc1ccc2c(c1)c(=O)c(cn2C)C(=O)N[*:1]
C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCCC3)c2)C[C@H]1O C1CCN(C1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)C(=O)Nc1cccc(c1)[*:1]
O=C([C@@H]1SCCc2sccc21)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C([C@@H]1SCCc2sccc21)N1CC[C@@H](C1)N[*:1]
O=C([C@@H]1SCCc2sccc21)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=C([C@@H]1SCCc2sccc21)N1CC[C@H](C1)[*:1]
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2nc(C)cc(C)c2C#N)C1 FC(F)(F)[*:1] CCN(C[*:1])C(=O)[C@@H]1CCCN(C1)c1nc(C)cc(C)c1C#N
CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2nc(C)cc(C)c2C#N)C1 FC(F)(F)C[*:1] CCN(C(=O)[C@@H]1CCCN(C1)c1nc(C)cc(C)c1C#N)[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1c(C)nn(CCO)c1C)C(C)(C)C OCC[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1c(C)nn(c1C)[*:1])C(C)(C)C
Cc1ccccc1[C@@H]([NH2+]Cc1c(C)nn(CCO)c1C)C(C)(C)C Cc1ccccc1[*:1] Cc1nn(CCO)c(C)c1C[NH2+][C@@H](C(C)(C)C)[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1c(C)nn(CCO)c1C)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1c(C)nn(CCO)c1C)[*:1]
COc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1-c1cncnc1 c1ncc(cn1)[*:1] COc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1[*:1]
Cc1ccc(CNc2nc(OCC(=O)[O-])cc(C(F)(F)F)n2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)CNc1nc(cc(n1)[*:1])OCC(=O)[O-]
Cc1ccc(CNc2nc(OCC(=O)[O-])cc(C(F)(F)F)n2)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)CNc1nc(cc(n1)C(F)(F)F)O[*:1]
Cc1ccc(CNc2nc(OCC(=O)[O-])cc(C(F)(F)F)n2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)CNc1nc(cc(n1)C(F)(F)F)OC[*:1]
Cc1ccc(CNc2nc(OCC(=O)[O-])cc(C(F)(F)F)n2)cc1 Cc1ccc(cc1)C[*:1] O=C([O-])COc1cc(nc(n1)N[*:1])C(F)(F)F
Cc1ccc(CNc2nc(OCC(=O)[O-])cc(C(F)(F)F)n2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])COc1cc(nc(n1)NC[*:1])C(F)(F)F
Cc1ccc(CNc2nc(OCC(=O)[O-])cc(C(F)(F)F)n2)cc1 O=C([O-])CO[*:1] Cc1ccc(cc1)CNc1nc(cc(n1)[*:1])C(F)(F)F
CCOC(=O)c1cnc(C(F)(F)F)nc1NNC(=O)c1ccno1 c1cc(on1)[*:1] CCOC(=O)c1cnc(nc1NNC(=O)[*:1])C(F)(F)F
CCOC(=O)c1cnc(C(F)(F)F)nc1NNC(=O)c1ccno1 FC(F)(F)[*:1] CCOC(=O)c1cnc(nc1NNC(=O)c1ccno1)[*:1]
CCOC(=O)c1cnc(C(F)(F)F)nc1NNC(=O)c1ccno1 CCOC(=O)[*:1] O=C(NNc1nc(ncc1[*:1])C(F)(F)F)c1ccno1
COc1cccc(CNC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1OC1CCCC1 C1CCC(C1)[*:1] COc1cccc(CNC(=O)N[C@@H]2CC[C@H](C2)[NH+](C)C)c1O[*:1]
COc1cccc(CNC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1OC1CCCC1 C1CCC(C1)O[*:1] COc1cccc(CNC(=O)N[C@@H]2CC[C@H](C2)[NH+](C)C)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ccc(c(C)c2)-n2cnnn2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1C1CC1 c1nnnn1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ccc(c(C)c2)[*:1])c1C1CC1
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCOC)c1 C=CC[*:1] COCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(c1)O[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCOC)c1 COCC[*:1] C=CCOc1cccc(c1)[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCOC)c1 COC[*:1] C=CCOc1cccc(c1)[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1C[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCOC)c1 C=CCO[*:1] COCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(c1)[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCOC)c1 C=CCOc1cccc(c1)[*:1] COCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1[*:1]
CC(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 CC(=O)N[*:1] Oc1ccc(cc1Br)-c1nc2cc(ccc2o1)[*:1]
CCc1onc(C)c1NC(=O)CCCOc1cccc(C)c1 Cc1cccc(c1)[*:1] CCc1onc(C)c1NC(=O)CCCO[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)cc(Cl)c1F FC(F)(F)[*:1] O=[N+]([O-])c1cc(cc(Cl)c1F)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)cc(Cl)c1F O=[N+]([O-])[*:1] Fc1c(Cl)cc(cc1[*:1])C(F)(F)F
Cc1ccc(NC(=S)NC(=O)/C=C\c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=S)NC(=O)C=C[*:1])c(C)c1
O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccnc2ncccc12 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)OC[*:1])c1ccnc2ncccc12
O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccnc2ncccc12 c1ccc(cc1)C[*:1] O=C(NCc1ccc(cc1)O[*:1])c1ccnc2ncccc12
O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccnc2ncccc12 c1ccc(cc1)CO[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccnc2ncccc12
O=C1NC(=O)[C@H](CC(=O)N(c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)N1 O=C(NC1CCCC1)[*:1] O=C1NC(=O)[C@H](CC(=O)N(c2ccccc2)C2(CCCCC2)[*:1])N1
O=C1NC(=O)[C@H](CC(=O)N(c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)N1 C1CCC(C1)[*:1] O=C1NC(=O)[C@H](CC(=O)N(c2ccccc2)C2(CCCCC2)C(=O)N[*:1])N1
O=C1NC(=O)[C@H](CC(=O)N(c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)N1 c1ccc(cc1)[*:1] O=C1NC(=O)[C@H](CC(=O)N(C2(CCCCC2)C(=O)NC2CCCC2)[*:1])N1
CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C1(C#N)CCC1 Fc1ccc(c(F)c1)[*:1] CN(C(=O)C1CCN(CC1)C(=O)[*:1])C1(C#N)CCC1
CC(=O)c1ccc(SCC(=O)NNC(=O)c2ccccc2)c(F)c1 CC(=O)[*:1] O=C(CSc1ccc(cc1F)[*:1])NNC(=O)c1ccccc1
CC(=O)c1ccc(SCC(=O)NNC(=O)c2ccccc2)c(F)c1 c1ccc(cc1)[*:1] CC(=O)c1ccc(SCC(=O)NNC(=O)[*:1])c(F)c1
CC(C)[NH2+]C[C@H](Cc1cscn1)c1ccccc1F c1nc(cs1)C[*:1] CC(C)[NH2+]C[C@H](c1ccccc1F)[*:1]
CC(C)[NH2+]C[C@H](Cc1cscn1)c1ccccc1F CC(C)[*:1] Fc1ccccc1[C@H](C[NH2+][*:1])Cc1cscn1
CC(C)[NH2+]C[C@H](Cc1cscn1)c1ccccc1F c1nc(cs1)[*:1] CC(C)[NH2+]C[C@H](C[*:1])c1ccccc1F
O=C(CSc1nc([O-])c2cnn(-c3ccccc3)c2n1)Nc1ccccc1OC(F)F c1ccc(cc1)[*:1] O=C(CSc1nc([O-])c2cnn(c2n1)[*:1])Nc1ccccc1OC(F)F
O=C(CSc1nc([O-])c2cnn(-c3ccccc3)c2n1)Nc1ccccc1OC(F)F FC(F)[*:1] O=C(CSc1nc([O-])c2cnn(-c3ccccc3)c2n1)Nc1ccccc1O[*:1]
O=C(CSc1nc([O-])c2cnn(-c3ccccc3)c2n1)Nc1ccccc1OC(F)F FC(F)Oc1ccccc1[*:1] O=C(CSc1nc([O-])c2cnn(-c3ccccc3)c2n1)N[*:1]
O=C(CSc1nc([O-])c2cnn(-c3ccccc3)c2n1)Nc1ccccc1OC(F)F FC(F)O[*:1] O=C(CSc1nc([O-])c2cnn(-c3ccccc3)c2n1)Nc1ccccc1[*:1]
CC(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC(C)C[C@H](C)[NH2+][C@H](C)C(=O)N[*:1]
CC(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC1CCCCC1 CC(C)[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)C(=O)NC1CCCCC1
CC(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC1CCCCC1 CC(C)C[*:1] C[C@H]([NH2+][C@H](C)C(=O)NC1CCCCC1)[*:1]
Cc1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@@H]2[*:1])cc1
Cc1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(/C=N/N2C(=O)CN(C[*:1])[C@H]2c2ccc(C)cc2)cc1
Cc1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(/C=N/N2C(=O)CN([C@H]2c2ccc(C)cc2)[*:1])cc1
Cc1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1N(CC(=O)N1N=C[*:1])Cc1ccccc1
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(cc1)[N+](=O)[O-])c1cc(n[nH]1)[*:1]
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)n[nH]1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])c1cc(n[nH]1)-c1ccccc1
CC(C)Cn1c(-c2ccc(Br)cc2)c[nH]c1=S CC(C)[*:1] S=c1[nH]cc(-c2ccc(Br)cc2)n1C[*:1]
CC(C)Cn1c(-c2ccc(Br)cc2)c[nH]c1=S CC(C)C[*:1] S=c1[nH]cc(-c2ccc(Br)cc2)n1[*:1]
CCN1C(=O)CN(CN(CCC#N)CC2CC2)C1=O N#CC[*:1] CCN1C(=O)CN(CN(CC2CC2)C[*:1])C1=O
CCN1C(=O)CN(CN(CCC#N)CC2CC2)C1=O C1CC1C[*:1] CCN1C(=O)CN(CN(CCC#N)[*:1])C1=O
CCN1C(=O)CN(CN(CCC#N)CC2CC2)C1=O C1CC1[*:1] CCN1C(=O)CN(CN(CCC#N)C[*:1])C1=O
CCN1C(=O)CN(CN(CCC#N)CC2CC2)C1=O N#CCC[*:1] CCN1C(=O)CN(CN(CC2CC2)[*:1])C1=O
CC[C@@H](C)[NH2+][C@H](CC(=O)NC)C(N)=O NC(=O)[*:1] CC[C@@H](C)[NH2+][C@H](CC(=O)NC)[*:1]
CC[C@@H](C)[NH2+][C@H](CC(=O)NC)C(N)=O CNC(=O)[*:1] CC[C@@H](C)[NH2+][C@H](C[*:1])C(N)=O
CC[C@@H](C)[NH2+][C@H](CC(=O)NC)C(N)=O CC[C@@H](C)[*:1] CNC(=O)C[C@@H]([NH2+][*:1])C(N)=O
Cc1cccc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1C#N N#Cc1ccc(nc1)O[*:1] Cc1cccc(c1C#N)S(=O)(=O)NC1CCC(CC1)[*:1]
Cc1cccc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1C#N N#Cc1ccc(nc1)[*:1] Cc1cccc(c1C#N)S(=O)(=O)NC1CCC(CC1)O[*:1]
Cc1cccc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1C#N Cc1cccc(c1C#N)[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NS(=O)(=O)[*:1]
N#Cc1ccncc1NCc1cccnc1-n1cncn1 c1ncn(n1)[*:1] N#Cc1ccncc1NCc1cccnc1[*:1]
CC[NH2+]C[C@H](Cc1c(Br)c(C)nn1C)c1ccccc1C Cc1ccccc1[*:1] CC[NH2+]C[C@H](Cc1c(Br)c(C)nn1C)[*:1]
CCCn1c(C)nn(CN2CCN(C(=O)C(C)(C)C)CC2)c1=S CCC[*:1] Cc1nn(CN2CCN(CC2)C(=O)C(C)(C)C)c(=S)n1[*:1]
CCCn1c(C)nn(CN2CCN(C(=O)C(C)(C)C)CC2)c1=S CC(C)(C)[*:1] CCCn1c(C)nn(CN2CCN(CC2)C(=O)[*:1])c1=S
CC(C)c1nccn1Cc1cccc(NC(=O)[C@H](C)S(C)(=O)=O)c1 CC(C)c1nccn1[*:1] C[C@@H](C(=O)Nc1cccc(c1)C[*:1])S(C)(=O)=O
CC(C)c1nccn1Cc1cccc(NC(=O)[C@H](C)S(C)(=O)=O)c1 CC(C)[*:1] C[C@@H](C(=O)Nc1cccc(c1)Cn1ccnc1[*:1])S(C)(=O)=O
CC(C)c1nccn1Cc1cccc(NC(=O)[C@H](C)S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CC(C)c1nccn1Cc1cccc(c1)NC(=O)[C@H](C)[*:1]
COCCN(CC(C)C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C COCC[*:1] CC(C)CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
COCCN(CC(C)C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C COC[*:1] CC(C)CN(C[*:1])C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
COCCN(CC(C)C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C CC(C)C[*:1] COCCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
COCCN(CC(C)C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C CC(C)[*:1] COCCN(C[*:1])C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
CC(C)COC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CC(C)COC1CCN(CC1)C(=O)Nc1ccnn1C[*:1]
CC(C)COC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 CC(C)CO[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CCC(CC1)[*:1]
CC(C)COC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 CC(C)COC1CCN(CC1)C(=O)Nc1ccnn1[*:1]
CC(C)COC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 CC(C)C[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CCC(CC1)O[*:1]
CC(C)COC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 CC(C)[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CCC(CC1)OC[*:1]
O=C(C1=C([O-])C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CCCn2cc[nH+]c2)[C@H]1[*:1])c1ccncc1
O=C(C1=C([O-])C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1)c1ccncc1 O=C(c1ccncc1)[*:1] O=C1C([O-])=C([C@@H](c2ccccc2)N1CCCn1cc[nH+]c1)[*:1]
O=C(C1=C([O-])C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccccc2)N1CCCn1cc[nH+]c1
COc1ccc(F)cc1NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 FC(F)(F)[*:1] COc1ccc(F)cc1NC(=O)N1CCN(CC1)[C@@H](C)[*:1]
Cc1ccc(C)c(S[C@H](C(=O)N2CCC(C(N)=O)CC2)C(C)C)c1 NC(=O)[*:1] Cc1ccc(C)c(c1)S[C@H](C(=O)N1CCC(CC1)[*:1])C(C)C
Cc1ccc(C)c(S[C@H](C(=O)N2CCC(C(N)=O)CC2)C(C)C)c1 Cc1ccc(C)c(c1)[*:1] CC(C)[C@H](S[*:1])C(=O)N1CCC(CC1)C(N)=O
Cc1ccc(C)c(S[C@H](C(=O)N2CCC(C(N)=O)CC2)C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)S[C@H](C(=O)N1CCC(CC1)C(N)=O)[*:1]
COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl COc1ccccc1[*:1] O=C(C[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl
COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl COc1ccccc1C[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl)[*:1]
O=C(CN1CCN(C(=O)N2CCOCC2)CC1)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CN1CCN(CC1)C(=O)N1CCOCC1)N[*:1]
O=C(CN1CCN(C(=O)N2CCOCC2)CC1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)N1CCOCC1)NC[*:1]
O=C1O[C@H](C(Cl)(Cl)Cl)Nc2ccccc21 ClC(Cl)(Cl)[*:1] O=C1O[C@H](Nc2ccccc21)[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(OC(F)F)cc2)c1 FC(F)[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)Cc1ccc(cc1)O[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(OC(F)F)cc2)c1 FC(F)O[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)Cc1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(OC(F)F)cc2)c1 CN(C)S(=O)(=O)[*:1] O=C(Cc1ccc(cc1)OC(F)F)Nc1cccc(c1)[*:1]
Cc1cc(C(=O)NCc2ccc([S@@](C)=O)cc2)c(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C(=O)NCc2ccc(cc2)[S@@](C)=O)c(N)c(c1)[*:1]
C[C@H]1SC(/N=C/c2ccc(N(C)C)cc2)=NNC1=O CN(C)[*:1] C[C@H]1SC(=NNC1=O)/N=C/c1ccc(cc1)[*:1]
C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O Clc1ccc(cc1)[*:1] C[C@@H](C(=O)OCC(=O)NNC(=O)[*:1])N1C(=O)c2ccccc2C1=O
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1C[C@H]1c1ccccc1F c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])[C@@H]1C[C@H]1c1ccccc1F
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1C[C@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[C@@H]1C[C@@H]1[*:1]
Cc1ccc(C)c(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1 CS(=O)(=O)[*:1] Cc1ccc(C)c(c1)C(=O)Nc1cc(ccc1Cl)[*:1]
Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)cc(F)c2C)sc1C NC(=O)[*:1] Cc1cc(sc1C)S(=O)(=O)[N-]c1cc(cc(F)c1C)[*:1]
Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)cc(F)c2C)sc1C Cc1cc(sc1C)[*:1] Cc1c(F)cc(cc1[N-]S(=O)(=O)[*:1])C(N)=O
CCc1cnc(C[NH2+][C@H](C)c2nccs2)s1 c1csc(n1)[*:1] CCc1cnc(C[NH2+][C@H](C)[*:1])s1
Cc1ccc(CNC(=O)c2cccc(C[S@@](C)=O)c2)cc1 Cc1ccc(cc1)[*:1] C[S@@](=O)Cc1cccc(c1)C(=O)NC[*:1]
C[C@H](CN1CCOCC1)N(C)Cc1nc2ccccc2s1 C1CN(CCO1)[*:1] C[C@H](C[*:1])N(C)Cc1nc2ccccc2s1
C[C@H](CN1CCOCC1)N(C)Cc1nc2ccccc2s1 C1CN(CCO1)C[*:1] C[C@H](N(C)Cc1nc2ccccc2s1)[*:1]
C[C@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccoc1 CS(=O)(=O)[*:1] C[C@H](Nc1ccc(cc1)[*:1])c1ccoc1
C[C@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccoc1 c1cc(co1)[*:1] C[C@H](Nc1ccc(cc1)S(C)(=O)=O)[*:1]
CCS(=O)(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 CCS(=O)(=O)N[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)[*:1]
CCS(=O)(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] CCS(=O)(=O)Nc1ccc(cc1)NC(=O)[*:1]
COCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 COCC[*:1] Clc1ccc(cc1Cl)[C@H]([NH2+][*:1])C1CC1
COCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 C1CC1[*:1] COCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[*:1]
COCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 COC[*:1] Clc1ccc(cc1Cl)[C@H]([NH2+]C[*:1])C1CC1
C[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)[C@@H](C#N)c2ccccn2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)[C@@H](C#N)c1ccccn1)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)[C@@H](C#N)c2ccccn2)C(C)C)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)[C@@H](C#N)[*:1])C(C)C
Cc1cccc(C(=O)N[C@H](C(=O)[C@@H](C#N)c2ccccn2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)[C@@H](C#N)c1ccccn1
C[NH+](C)C(C)(C)CNC(=O)c1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] C[NH+](C)C(C)(C)CNC(=O)c1cnn(c1)C[*:1]
Cc1ccc(C(=O)NCC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N[C@H](C)c1nc(no1)[*:1]
Cc1ccc(C(=O)NCC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)CNC(=O)[*:1])c1nc(no1)C(C)(C)C
COc1cc([C@H]2NC(=O)c3[nH]nc(-c4ccco4)c32)ccc1O c1coc(c1)[*:1] COc1cc(ccc1O)[C@H]1NC(=O)c2[nH]nc(c21)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nncs2)cc1 c1nnc(s1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CS[*:1]
CC(=O)c1ccc(NC(=O)CSc2nncs2)cc1 c1nnc(S[*:1])s1 CC(=O)c1ccc(cc1)NC(=O)C[*:1]
CC(=O)c1ccc(NC(=O)CSc2nncs2)cc1 CC(=O)[*:1] O=C(CSc1nncs1)Nc1ccc(cc1)[*:1]
CC[NH2+]C[C@@H](C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])[*:1] CC[NH2+]C[C@@H](C)C(=O)N1CCO[C@H](C1)C[*:1]
CC[NH2+]C[C@@H](C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])C[*:1] CC[NH2+]C[C@@H](C)C(=O)N1CCO[C@@H](C1)[*:1]
Cc1cc(F)ccc1S(=O)(=O)Nc1cc(C(N)=O)cc(F)c1C NC(=O)[*:1] Cc1cc(F)ccc1S(=O)(=O)Nc1cc(cc(F)c1C)[*:1]
Cc1nc2sccn2c1CN(C)CC[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1nc2sccn2c1CN(C)CC[NH+]1CCN(CC1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N1CCc2c(F)ccc(F)c2C1 CCCC[*:1] NC(=O)N[C@@H](C(=O)N1CCc2c(F)ccc(F)c2C1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N1CCc2c(F)ccc(F)c2C1 NC(=O)N[*:1] CCCC[C@@H](C(=O)N1CCc2c(F)ccc(F)c2C1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N1CCc2c(F)ccc(F)c2C1 CCC[*:1] NC(=O)N[C@H](C[*:1])C(=O)N1CCc2c(F)ccc(F)c2C1
O=C([O-])c1cc(Br)n(Cc2ccn(C3CCCC3)n2)c1 C1CCC(C1)[*:1] O=C([O-])c1cc(Br)n(c1)Cc1ccn(n1)[*:1]
O=C([O-])c1cc(Br)n(Cc2ccn(C3CCCC3)n2)c1 O=C([O-])[*:1] Brc1cc(cn1Cc1ccn(n1)C1CCCC1)[*:1]
COC(=O)[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1[*:1])C(=O)C1CCN(CC1)S(C)(=O)=O
COC(=O)[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)[C@@H]1CN(C[C@@H]1[*:1])C(=O)C1CCN(CC1)S(C)(=O)=O
COC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] COC[C@@H]1CCCN(C1)C(=O)[C@@H]1CCCN1C(=O)O[*:1]
COC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 COC[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C1)[*:1]
CO[C@@H]1[C@H](C)[C@@H](NS(=O)(=O)c2ccccc2S(C)(=O)=O)C1(C)C CS(=O)(=O)[*:1] CO[C@@H]1[C@H](C)[C@@H](NS(=O)(=O)c2ccccc2[*:1])C1(C)C
O=C(/C=C/C1CC1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 C1CC1[*:1] O=C(C=C[*:1])N1CCCC[C@H]1c1cc2ccccc2[nH]1
O=C(/C=C/C1CC1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 C(=C[*:1])C1CC1 O=C(N1CCCC[C@H]1c1cc2ccccc2[nH]1)[*:1]
CCCc1nnsc1C(=O)N1CCC[C@H](c2nc(CCOC)no2)C1 COC[*:1] CCCc1nnsc1C(=O)N1CCC[C@@H](C1)c1nc(C[*:1])no1
CCCc1nnsc1C(=O)N1CCC[C@H](c2nc(CCOC)no2)C1 CCC[*:1] COCCc1noc(n1)[C@H]1CCCN(C1)C(=O)c1snnc1[*:1]
CCCc1nnsc1C(=O)N1CCC[C@H](c2nc(CCOC)no2)C1 COCC[*:1] CCCc1nnsc1C(=O)N1CCC[C@@H](C1)c1nc(no1)[*:1]
CCCc1nnsc1C(=O)N1CCC[C@H](c2nc(CCOC)no2)C1 CCCc1nnsc1[*:1] COCCc1noc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(F)ccc1CCNC(=O)NCCCn1nc2n(c1=O)CCCC2 Cc1cc(F)ccc1C[*:1] O=C(NCCCn1nc2CCCCn2c1=O)NC[*:1]
Cc1cc(F)ccc1CCNC(=O)NCCCn1nc2n(c1=O)CCCC2 Cc1cc(F)ccc1[*:1] O=C(NCCCn1nc2CCCCn2c1=O)NCC[*:1]
O=C([O-])C[C@@H]1CN(C(=O)CCn2cncn2)CCO1 O=C([O-])[*:1] O=C(CCn1cncn1)N1CCO[C@@H](C1)C[*:1]
O=C([O-])C[C@@H]1CN(C(=O)CCn2cncn2)CCO1 O=C([O-])C[*:1] O=C(CCn1cncn1)N1CCO[C@@H](C1)[*:1]
O=C([O-])C[C@@H]1CN(C(=O)CCn2cncn2)CCO1 c1ncn(n1)[*:1] O=C([O-])C[C@@H]1CN(CCO1)C(=O)CC[*:1]
O=C([O-])C[C@@H]1CN(C(=O)CCn2cncn2)CCO1 c1ncn(C[*:1])n1 O=C([O-])C[C@@H]1CN(CCO1)C(=O)C[*:1]
COc1ccc(Br)c(C(=O)O[C@@H](C)c2nc(C)no2)c1 Cc1noc(n1)[*:1] COc1ccc(Br)c(c1)C(=O)O[C@@H](C)[*:1]
CNC(=O)CSC(=S)N1C(=O)CCC1=O CNC(=O)[*:1] O=C1CCC(=O)N1C(=S)SC[*:1]
CNC(=O)CSC(=S)N1C(=O)CCC1=O CNC(=O)C[*:1] O=C1CCC(=O)N1C(=S)S[*:1]
CC(=O)NCC(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 CC(=O)N[*:1] O=C(C[*:1])N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1
CC(=O)NCC(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC(=O)NCC(=O)N[C@@H]1CC(=O)N(CC[*:1])C1
CC(=O)NCC(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 CC(=O)NC[*:1] O=C1C[C@H](CN1CCc1cccc(Cl)c1)NC(=O)[*:1]
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 c1ccc2cc(ccc2c1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)C(c1ccccc1)c1ccccc1
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C(c1ccccc1)[*:1]
CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 CCc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)Nc1ccccc1C(F)(F)F)[*:1]
CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1[*:1]
Cc1cccc(NC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)c1C Cc1cccc(c1C)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC(=O)N[*:1]
Cc1cccc(NC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)c1C Cc1cccc(NC(=O)[*:1])c1C C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C[*:1]
CCn1nccc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O CCn1nccc1[*:1] O=C1NC(=O)c2cc(ccc21)NC(=O)[*:1]
O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 O=[N+]([O-])[*:1] O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc(cc2COCOc21)[*:1]
Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1 Clc1ccc(c(Cl)c1)[*:1] Cc1cc(C)c(C#N)c(n1)SCC(=O)N[C@@H](C)[*:1]
COc1c([C@@H]2CCCN2[C@H](C(N)=O)c2ccccc2)c(C)nn1C NC(=O)[*:1] COc1c(c(C)nn1C)[C@@H]1CCCN1[C@H](c1ccccc1)[*:1]
COc1c([C@@H]2CCCN2[C@H](C(N)=O)c2ccccc2)c(C)nn1C c1ccc(cc1)[*:1] COc1c(c(C)nn1C)[C@@H]1CCCN1[C@H](C(N)=O)[*:1]
COc1ccc([N+](=O)[O-])cc1N[C@@H]1CCCCC1(C)C O=[N+]([O-])[*:1] COc1ccc(cc1N[C@@H]1CCCCC1(C)C)[*:1]
Cc1ccc(C(=O)NCCSc2c(C)[nH]c3ccccc23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NCCSc1c(C)[nH]c2ccccc12
COc1ccccc1[C@H](NC(=O)NC1[C@H](C)CCC[C@H]1C)c1nccn1C COc1ccccc1[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)N[C@H](c1nccn1C)[*:1]
COc1ccccc1[C@H](NC(=O)NC1[C@H](C)CCC[C@H]1C)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@H](NC(=O)NC1[C@H](C)CCC[C@H]1C)[*:1]
COc1cc(CC[NH2+][C@H](c2ccccc2)C2CC2)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)CC[NH2+][C@H](C1CC1)[*:1]
COc1cc(CC[NH2+][C@H](c2ccccc2)C2CC2)ccc1O C1CC1[*:1] COc1cc(ccc1O)CC[NH2+][C@H](c1ccccc1)[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(CCc2ccccc2)no1 c1ccc(cc1)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(CC[*:1])no1
COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(CCc2ccccc2)no1 COc1ccccc1[*:1] O=C(c1cc(CCc2ccccc2)no1)N1CCC[C@H]1[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(CCc2ccccc2)no1 c1ccc(cc1)C[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(C[*:1])no1
COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(CCc2ccccc2)no1 c1ccc(cc1)CC[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(no1)[*:1]
CCOc1cccc(/C=N/c2cc(C)ccc2OC)c1O CCO[*:1] COc1ccc(C)cc1/N=C/c1cccc(c1O)[*:1]
CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1 Cc1ccc(nc1)NC(=O)[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@@H](C=1[*:1])c1cccc(F)c1)c1ccco1
CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1 Fc1cccc(c1)[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@H](C=1C(=O)Nc1ccc(C)cn1)[*:1])c1ccco1
CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1 Cc1ccc(nc1)[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@@H](C=1C(=O)N[*:1])c1cccc(F)c1)c1ccco1
CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1 c1coc(c1)[*:1] CC1NC2C[C@H](CC(=O)C=2[C@@H](C=1C(=O)Nc1ccc(C)cn1)c1cccc(F)c1)[*:1]
CNC(=O)COc1ccc(NC(=O)c2cc3cccc(Cl)c3o2)cc1 CNC(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2cccc(Cl)c2o1
CNC(=O)COc1ccc(NC(=O)c2cc3cccc(Cl)c3o2)cc1 CNC(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cc2cccc(Cl)c2o1
CNC(=O)COc1ccc(NC(=O)c2cc3cccc(Cl)c3o2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1cc2cccc(Cl)c2o1
CC(C)Oc1ccc([C@@]2(C)C[NH+]=C(N)N2)cc1 CC(C)[*:1] C[C@@]1(C[NH+]=C(N)N1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@@]2(C)C[NH+]=C(N)N2)cc1 CC(C)O[*:1] C[C@@]1(C[NH+]=C(N)N1)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1-c1ccncc1)c1cnc([C@@H]2CCCO2)s1 c1cc(ccn1)[*:1] O=C(Nc1ccccc1[*:1])c1cnc(s1)[C@@H]1CCCO1
COc1ccc(OC[C@@H](C)NC(=O)Cn2c(C)cc(C)nc2=O)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)N[C@H](C)CO[*:1])c(=O)n1
COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)Nc1cccc(C)c1 Cc1cccc(c1)[*:1] COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)N[*:1]
COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)Nc1cccc(C)c1 COc1ccc(C)cc1[*:1] Cc1cccc(c1)NC(=O)[C@H](C)Sc1nnnn1[*:1]
COC(=O)C1(NC(=O)c2cnc(-c3ccccc3)s2)CCSCC1 c1ccc(cc1)[*:1] COC(=O)C1(CCSCC1)NC(=O)c1cnc(s1)[*:1]
COC(=O)C1(NC(=O)c2cnc(-c3ccccc3)s2)CCSCC1 COC(=O)[*:1] O=C(NC1(CCSCC1)[*:1])c1cnc(s1)-c1ccccc1
O=C([O-])[C@H]1CCCN(C(=O)c2cccnc2Cl)C1 O=C([O-])[*:1] O=C(c1cccnc1Cl)N1CCC[C@@H](C1)[*:1]
CN(C)C(=O)c1cc2ncc(C(=O)N3CCCC3)cc2n1C O=C(N1CCCC1)[*:1] CN(C)C(=O)c1cc2ncc(cc2n1C)[*:1]
CN(C)C(=O)c1cc2ncc(C(=O)N3CCCC3)cc2n1C CN(C)C(=O)[*:1] Cn1c(cc2ncc(cc21)C(=O)N1CCCC1)[*:1]
CCc1sc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1C CCc1sc(cc1C)[*:1] COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCCCC1
CCc1sc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1C O=S(=O)(N1CCCCC1)[*:1] CCc1sc(cc1C)C(=O)Nc1cc(ccc1OC)[*:1]
O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc2ccc3cccnc3c2[nH]1 Fc1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCN(CC1)[*:1])c1cc2ccc3cccnc3c2[nH]1
O=C(OC[C@@H]1CC=CCC1)[C@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)C[*:1] O=C(OC[C@@H]1CC=CCC1)[C@H]1CCCN1C(=O)O[*:1]
O=C(OC[C@@H]1CC=CCC1)[C@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)[*:1] O=C(OC[C@@H]1CC=CCC1)[C@H]1CCCN1C(=O)OC[*:1]
CN(C)C(=O)c1cccc(NC(=O)c2ccc3c(c2O)OC(C)(C)C3)c1 CN(C)C(=O)[*:1] CC1(C)Cc2ccc(C(=O)Nc3cccc(c3)[*:1])c(O)c2O1
COc1ccc(Cn2c(N[C@H]3CCCC[C@@H]3[NH3+])nc3ccccc32)cc1 COc1ccc(cc1)[*:1] [NH3+][C@H]1CCCC[C@@H]1Nc1nc2ccccc2n1C[*:1]
c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2nncn2C2CC2)cc1 C1CC1[*:1] c1ccc(cc1)[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1nncn1[*:1]
c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2nncn2C2CC2)cc1 c1ccc(cc1)[*:1] c1nnc(C[NH2+][C@H](C[C@@H]2CCOC2)[*:1])n1C1CC1
c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2nncn2C2CC2)cc1 C1C[C@H](CO1)[*:1] c1ccc(cc1)[C@@H](C[*:1])[NH2+]Cc1nncn1C1CC1
C[C@@H](NC(=O)NCc1ccc(-n2cncn2)cc1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)-n1cncn1)[*:1]
C[C@@H](NC(=O)NCc1ccc(-n2cncn2)cc1)c1cccc(C#N)c1 c1ncn(n1)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)[*:1])c1cccc(C#N)c1
COc1ccc(CNC(=O)[C@@H]2CC(c3ccc(F)cc3)=NO2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)[C@@H]1CC(=NO1)[*:1]
COc1ccc(CNC(=O)[C@@H]2CC(c3ccc(F)cc3)=NO2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CC(=NO1)c1ccc(F)cc1
CCOC[C@H]1CCN(C(=O)[C@@H](C)CC)C1 CCOC[*:1] CC[C@H](C)C(=O)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)[C@@H](C)CC)C1 CCO[*:1] CC[C@H](C)C(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)[C@@H](C)CC)C1 CC[C@H](C)[*:1] CCOC[C@H]1CCN(C1)C(=O)[*:1]
c1ccc(COc2cccc(CN3CCO[C@H](c4nccs4)C3)c2)nc1 c1ccc(CO[*:1])nc1 c1cc(cc(c1)[*:1])CN1CCO[C@@H](C1)c1nccs1
c1ccc(COc2cccc(CN3CCO[C@H](c4nccs4)C3)c2)nc1 c1ccc(nc1)[*:1] c1cc(cc(c1)OC[*:1])CN1CCO[C@@H](C1)c1nccs1
c1ccc(COc2cccc(CN3CCO[C@H](c4nccs4)C3)c2)nc1 c1ccc(C[*:1])nc1 c1cc(cc(c1)O[*:1])CN1CCO[C@@H](C1)c1nccs1
c1ccc(COc2cccc(CN3CCO[C@H](c4nccs4)C3)c2)nc1 c1csc(n1)[*:1] c1ccc(COc2cccc(c2)CN2CCO[C@H](C2)[*:1])nc1
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccnn1C Cn1nccc1[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccnn1C Cn1nccc1C[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccnn1C Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCc1ccnn1C
CCn1cc(CN2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1 CCn1cc(cn1)C[*:1] CC(C)CNC(=O)c1cc(nc2ccccc12)[C@@H]1CN(CCO1)[*:1]
CCn1cc(CN2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1 CC(C)C[*:1] CCn1cc(cn1)CN1CCO[C@@H](C1)c1cc(C(=O)N[*:1])c2ccccc2n1
CCn1cc(CN2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1 CC(C)[*:1] CCn1cc(cn1)CN1CCO[C@@H](C1)c1cc(C(=O)NC[*:1])c2ccccc2n1
CCn1cc(CN2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1 CCn1cc(cn1)[*:1] CC(C)CNC(=O)c1cc(nc2ccccc12)[C@@H]1CN(CCO1)C[*:1]
CCn1cc(CN2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1 CC(C)CNC(=O)[*:1] CCn1cc(cn1)CN1CCO[C@@H](C1)c1cc(c2ccccc2n1)[*:1]
CC[C@H](c1ccccc1)S(=O)(=O)[C@H](C)c1c(F)cccc1F c1ccc(cc1)[*:1] CC[C@H](S(=O)(=O)[C@H](C)c1c(F)cccc1F)[*:1]
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cnn(CC(C)C)c2)c1 CC(C)C[*:1] COc1cccc(c1)[C@@H]1C[C@H]1C(=O)Nc1cnn(c1)[*:1]
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cnn(CC(C)C)c2)c1 CC(C)[*:1] COc1cccc(c1)[C@@H]1C[C@H]1C(=O)Nc1cnn(c1)C[*:1]
O=C1COc2ccc(C(=O)COC(=O)c3csc(-c4ccsc4)n3)cc2N1 c1cc(cs1)[*:1] O=C1COc2ccc(cc2N1)C(=O)COC(=O)c1csc(n1)[*:1]
CC[C@@H]1C(C#N)=C(S[C@H](C(N)=O)c2ccccc2)N=C2CC(C)(C)CC(=O)[C@@H]21 c1ccc(cc1)[*:1] CC[C@@H]1C(C#N)=C(N=C2CC(C)(C)CC(=O)[C@@H]21)S[C@H](C(N)=O)[*:1]
CC[C@@H]1C(C#N)=C(S[C@H](C(N)=O)c2ccccc2)N=C2CC(C)(C)CC(=O)[C@@H]21 NC(=O)[*:1] CC[C@@H]1C(C#N)=C(N=C2CC(C)(C)CC(=O)[C@@H]21)S[C@H](c1ccccc1)[*:1]
CC1(C)CN(C(=O)C(=O)Nc2cnc(-c3ccccc3)s2)CCO1 c1ccc(cc1)[*:1] CC1(C)CN(CCO1)C(=O)C(=O)Nc1cnc(s1)[*:1]
CC(=O)N(C)C1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 c1ccc2c(c1)ncn2[*:1] CC(=O)N(C)C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(=O)N(C)C1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 CC(=O)N(C)[*:1] c1ccc2c(c1)ncn2-c1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CCC(=O)c1cccc(NC(=O)N2CC[C@@H](C)[C@H](O)C2)c1 CCC(=O)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)Nc1cccc(c1)[*:1]
Fc1ccc(-n2cc(CN3CCN(Cc4ccc(Cl)nc4)CC3)cn2)cc1 Clc1ccc(cn1)C[*:1] Fc1ccc(cc1)-n1cc(cn1)CN1CCN(CC1)[*:1]
Fc1ccc(-n2cc(CN3CCN(Cc4ccc(Cl)nc4)CC3)cn2)cc1 Clc1ccc(cn1)[*:1] Fc1ccc(cc1)-n1cc(cn1)CN1CCN(CC1)C[*:1]
Fc1ccc(-n2cc(CN3CCN(Cc4ccc(Cl)nc4)CC3)cn2)cc1 Fc1ccc(cc1)[*:1] Clc1ccc(cn1)CN1CCN(CC1)Cc1cnn(c1)[*:1]
[NH3+]CCOCC(=O)Nc1cc(C(=O)[O-])ccc1Cl [NH3+]CC[*:1] O=C(CO[*:1])Nc1cc(ccc1Cl)C(=O)[O-]
[NH3+]CCOCC(=O)Nc1cc(C(=O)[O-])ccc1Cl O=C([O-])[*:1] [NH3+]CCOCC(=O)Nc1cc(ccc1Cl)[*:1]
[NH3+]CCOCC(=O)Nc1cc(C(=O)[O-])ccc1Cl [NH3+]CCO[*:1] O=C(C[*:1])Nc1cc(ccc1Cl)C(=O)[O-]
[NH3+]CCOCC(=O)Nc1cc(C(=O)[O-])ccc1Cl [NH3+]CCOC[*:1] O=C([O-])c1ccc(Cl)c(c1)NC(=O)[*:1]
COc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1nnc(n1)-c1ccccc1)NNC(=O)[*:1]
COc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NNC(=O)Cn1nnc(n1)[*:1]
O=C(NCc1cccnc1N1CCC[C@H](O)C1)c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] O=C(NCc1cccnc1N1CCC[C@H](O)C1)[*:1]
CO[C@H](C)[C@H]([NH3+])[C@@H]1CCO[C@]2(CCSC2)C1 CO[C@H](C)[*:1] [NH3+][C@H]([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(OC)c1 COCC[*:1] COc1cccc(c1)[C@H]1c2c(n[nH]c2-c2ccccc2O)C(=O)N1[*:1]
COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(OC)c1 COC[*:1] COc1cccc(c1)[C@H]1c2c(n[nH]c2-c2ccccc2O)C(=O)N1C[*:1]
COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1[*:1]
COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(OC)c1 Oc1ccccc1[*:1] COCCN1C(=O)c2n[nH]c(c2[C@@H]1c1cccc(c1)OC)[*:1]
Cc1cc(C)c(C#N)c(N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)n1 NC(=O)[*:1] Cc1cc(C)c(C#N)c(n1)N1CC[C@@H](Cc2cccc(c2)[*:1])C1
CCN(C[C@@H]1CCCO1)c1cc(C)ccc1N C1CO[C@@H](C1)[*:1] CCN(C[*:1])c1cc(C)ccc1N
CCCCCCn1ccc([C@H](O)C(C)C)c1 CCCCC[*:1] CC(C)[C@@H](O)c1ccn(c1)C[*:1]
CCCCCCn1ccc([C@H](O)C(C)C)c1 CCCC[*:1] CC(C)[C@@H](O)c1ccn(c1)CC[*:1]
CCCCCCn1ccc([C@H](O)C(C)C)c1 CC(C)[*:1] CCCCCCn1ccc(c1)[C@H](O)[*:1]
CCCCCCn1ccc([C@H](O)C(C)C)c1 CCC[*:1] CC(C)[C@@H](O)c1ccn(c1)CCC[*:1]
CCCCCCn1ccc([C@H](O)C(C)C)c1 CC(C)[C@@H](O)[*:1] CCCCCCn1ccc(c1)[*:1]
O=S(=O)(CC1CCOCC1)N[C@H](C1CCCC1)C(F)(F)F C1CC(CCO1)C[*:1] O=S(=O)(N[C@H](C1CCCC1)C(F)(F)F)[*:1]
O=S(=O)(CC1CCOCC1)N[C@H](C1CCCC1)C(F)(F)F C1CCC(C1)[*:1] O=S(=O)(CC1CCOCC1)N[C@H](C(F)(F)F)[*:1]
O=S(=O)(CC1CCOCC1)N[C@H](C1CCCC1)C(F)(F)F C1CC(CCO1)[*:1] O=S(=O)(C[*:1])N[C@H](C1CCCC1)C(F)(F)F
O=S(=O)(CC1CCOCC1)N[C@H](C1CCCC1)C(F)(F)F FC(F)(F)[*:1] O=S(=O)(CC1CCOCC1)N[C@H](C1CCCC1)[*:1]
CCOc1ccc(C(=O)O[C@H]2CCSC2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)O[C@H]1CCSC1
CC(C)Cc1noc(CSc2cc(Cl)ccc2N)n1 CC(C)C[*:1] Nc1ccc(Cl)cc1SCc1nc(no1)[*:1]
CC(C)Cc1noc(CSc2cc(Cl)ccc2N)n1 CC(C)[*:1] Nc1ccc(Cl)cc1SCc1nc(C[*:1])no1
CN(CCc1cccs1)C(=O)CC[C@@H]([NH3+])c1ccccc1 c1csc(c1)CC[*:1] CN(C(=O)CC[C@@H]([NH3+])c1ccccc1)[*:1]
CN(CCc1cccs1)C(=O)CC[C@@H]([NH3+])c1ccccc1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)CC[C@@H]([NH3+])c1ccccc1
CN(CCc1cccs1)C(=O)CC[C@@H]([NH3+])c1ccccc1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)CC[C@@H]([NH3+])c1ccccc1
CN(CCc1cccs1)C(=O)CC[C@@H]([NH3+])c1ccccc1 c1ccc(cc1)[*:1] CN(CCc1cccs1)C(=O)CC[C@@H]([NH3+])[*:1]
O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 c1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)N1CCOCC1)[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 O=C(N1CCOCC1)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H]1CN(C(=O)CSc2ccccc2)c2cc(F)ccc2C(=O)N1 c1ccc(cc1)SC[*:1] C[C@@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
C[C@@H]1CN(C(=O)CSc2ccccc2)c2cc(F)ccc2C(=O)N1 c1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)CS[*:1])c2cc(F)ccc2C(=O)N1
C[C@@H]1CN(C(=O)CSc2ccccc2)c2cc(F)ccc2C(=O)N1 c1ccc(cc1)S[*:1] C[C@@H]1CN(C(=O)C[*:1])c2cc(F)ccc2C(=O)N1
C#CCN1CCN(C(=O)NCc2ccc(COC)cc2)CC1 C#CC[*:1] COCc1ccc(cc1)CNC(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)NCc2ccc(COC)cc2)CC1 COC[*:1] C#CCN1CCN(CC1)C(=O)NCc1ccc(cc1)[*:1]
O=C(Cc1cccc(CNC(=O)c2cc3cc(=O)[nH]cc3[nH]2)c1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cccc(c1)CNC(=O)c1cc2cc(=O)[nH]cc2[nH]1)NC[*:1]
O=C(Cc1cccc(CNC(=O)c2cc3cc(=O)[nH]cc3[nH]2)c1)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] O=C(NCc1cccc(c1)C[*:1])c1cc2cc(=O)[nH]cc2[nH]1
O=C(Cc1cccc(CNC(=O)c2cc3cc(=O)[nH]cc3[nH]2)c1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1cccc(c1)CNC(=O)c1cc2cc(=O)[nH]cc2[nH]1)N[*:1]
COCC[C@H](C)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 COC[*:1] C[C@@H](C[*:1])C(=O)N1CCO[C@@H](C1)c1cccc(c1)C(F)(F)F
COCC[C@H](C)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 COCC[C@H](C)[*:1] O=C(N1CCO[C@@H](C1)c1cccc(c1)C(F)(F)F)[*:1]
COCC[C@H](C)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] COCC[C@H](C)C(=O)N1CCO[C@@H](C1)c1cccc(c1)[*:1]
COCC[C@H](C)C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 COCC[*:1] C[C@H](C(=O)N1CCO[C@@H](C1)c1cccc(c1)C(F)(F)F)[*:1]
Cc1cccc(OCC(=O)N2CCn3nc(C(=O)N4CCN(C)CC4)cc3C2)c1 CN1CCN(CC1)C(=O)[*:1] Cc1cccc(c1)OCC(=O)N1CCn2nc(cc2C1)[*:1]
Cc1cccc(OCC(=O)N2CCn3nc(C(=O)N4CCN(C)CC4)cc3C2)c1 Cc1cccc(c1)[*:1] CN1CCN(CC1)C(=O)c1cc2CN(CCn2n1)C(=O)CO[*:1]
Cc1cccc(OCC(=O)N2CCn3nc(C(=O)N4CCN(C)CC4)cc3C2)c1 Cc1cccc(c1)OC[*:1] CN1CCN(CC1)C(=O)c1cc2CN(CCn2n1)C(=O)[*:1]
Cc1cccc(OCC(=O)N2CCn3nc(C(=O)N4CCN(C)CC4)cc3C2)c1 Cc1cccc(c1)O[*:1] CN1CCN(CC1)C(=O)c1cc2CN(CCn2n1)C(=O)C[*:1]
Cc1ccc(Oc2ccc(NC(=O)NNc3ccccc3)cc2)nn1 c1ccc(cc1)[*:1] Cc1ccc(nn1)Oc1ccc(cc1)NC(=O)NN[*:1]
Cc1ccc(Oc2ccc(NC(=O)NNc3ccccc3)cc2)nn1 Cc1ccc(nn1)O[*:1] O=C(NNc1ccccc1)Nc1ccc(cc1)[*:1]
Cc1ccc(Oc2ccc(NC(=O)NNc3ccccc3)cc2)nn1 Cc1ccc(nn1)[*:1] O=C(NNc1ccccc1)Nc1ccc(cc1)O[*:1]
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1[*:1]
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc(Br)c1 COCC[*:1] CCOC(=O)[C@@H]1C(=O)N(c2nc3ccccc3n2[C@H]1c1cccc(Br)c1)[*:1]
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc(Br)c1 COC[*:1] CCOC(=O)[C@@H]1C(=O)N(C[*:1])c2nc3ccccc3n2[C@H]1c1cccc(Br)c1
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc(Br)c1 CCOC(=O)[*:1] COCCN1C(=O)[C@H]([C@H](c2cccc(Br)c2)n2c1nc1ccccc12)[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 COC(=O)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)Nc1cc(ccc1Cl)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2n[nH]c3nccnc23)CC1 Fc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCC(CC1)c1n[nH]c2nccnc12
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2n[nH]c3nccnc23)CC1 Fc1ccc(cc1)O[*:1] C[C@H](C(=O)N1CCC(CC1)c1n[nH]c2nccnc12)[*:1]
COCCn1ccc([C@H]([NH3+])C(C)C)c1 COC[*:1] CC(C)[C@@H]([NH3+])c1ccn(c1)C[*:1]
COCCn1ccc([C@H]([NH3+])C(C)C)c1 CC(C)[*:1] COCCn1ccc(c1)[C@H]([NH3+])[*:1]
COCCn1ccc([C@H]([NH3+])C(C)C)c1 COCC[*:1] CC(C)[C@@H]([NH3+])c1ccn(c1)[*:1]
CC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 c1ccc(cc1)[*:1] CC[C@@H]1[C@@H]([NH2+][C@H](C[C@@]1(O)c1ccc(F)cc1)c1ccccc1)[*:1]
CC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@@H]1[C@H]([NH2+][C@H](C[C@]1(O)[*:1])c1ccccc1)c1ccccc1
CC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 c1ccc(cc1)[*:1] CC[C@@H]1[C@H]([NH2+][C@@H](C[C@@]1(O)c1ccc(F)cc1)[*:1])c1ccccc1
CCC[NH2+][C@@H](Cc1cnn(C)c1)C[NH+](C)C CCC[*:1] Cn1cc(cn1)C[C@@H](C[NH+](C)C)[NH2+][*:1]
COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc(I)c1OC(C)=O Fc1ccccc1[*:1] COc1cc(/C=C2\N=C(OC2=O)[*:1])cc(I)c1OC(C)=O
COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc(I)c1OC(C)=O CC(=O)O[*:1] COc1cc(/C=C2\N=C(OC2=O)c2ccccc2F)cc(I)c1[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)Cc2ccc[nH]2)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)Cc1ccc[nH]1)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)Cc2ccc[nH]2)c1 c1c[nH]c(c1)C[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)Cc2ccc[nH]2)c1 c1c[nH]c(c1)[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)C[*:1]
Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1nnc(o1)SCC(=O)N[*:1]
Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(o1)SCC(=O)NC[*:1]
Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)CSc1nnc(o1)[*:1]
CC(C)C(=O)N[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 CC(C)[*:1] CN(CC(=O)N1CCC[C@@H](C1)NC(=O)[*:1])c1ccccc1[N+](=O)[O-]
CC(C)C(=O)N[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CC(C)C(=O)N[C@H]1CCCN(C1)C(=O)CN(C)c1ccccc1[*:1]
CC(C)C(=O)N[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 CC(C)C(=O)N[*:1] CN(CC(=O)N1CCC[C@@H](C1)[*:1])c1ccccc1[N+](=O)[O-]
CCN(C(=O)CSc1ccc(-c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCN(C(=O)CSc1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
CC[C@@H]([NH2+][C@H](CO)c1ccc(Cl)cc1)c1ccc(OC)cc1 Clc1ccc(cc1)[*:1] CC[C@@H]([NH2+][C@H](CO)[*:1])c1ccc(cc1)OC
O=C(CSCc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 c1ccc(cc1)[*:1] O=C(CSC[*:1])NCc1nc(no1)-c1ccc(Cl)cc1
O=C(CSCc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 c1ccc(cc1)CS[*:1] O=C(C[*:1])NCc1nc(no1)-c1ccc(Cl)cc1
O=C(CSCc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] O=C(CSCc1ccccc1)NCc1nc(no1)[*:1]
O=C(CSCc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 c1ccc(cc1)C[*:1] O=C(CS[*:1])NCc1nc(no1)-c1ccc(Cl)cc1
Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 Cc1ccccc1[*:1] O=C(CN1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1])N1CCOCC1
Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 O=C(N1CCOCC1)[*:1] Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C[*:1]
Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 O=C(C[*:1])N1CCOCC1 Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(CC1)[*:1]
COc1ccccc1C(=O)NCC(=O)N1CCC(CCc2ccc(C)cc2)CC1 COc1ccccc1[*:1] Cc1ccc(cc1)CCC1CCN(CC1)C(=O)CNC(=O)[*:1]
COc1ccccc1C(=O)NCC(=O)N1CCC(CCc2ccc(C)cc2)CC1 Cc1ccc(cc1)CC[*:1] COc1ccccc1C(=O)NCC(=O)N1CCC(CC1)[*:1]
COc1ccccc1C(=O)NCC(=O)N1CCC(CCc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] COc1ccccc1C(=O)NCC(=O)N1CCC(CC1)CC[*:1]
COc1ccccc1C(=O)NCC(=O)N1CCC(CCc2ccc(C)cc2)CC1 Cc1ccc(cc1)C[*:1] COc1ccccc1C(=O)NCC(=O)N1CCC(CC1)C[*:1]
O=C(C[C@@H]1COCCN1C(=O)c1ccc(F)cc1O)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(F)cc1O)N1CCOC[C@H]1CC(=O)[*:1]
O=C(C[C@@H]1COCCN1C(=O)c1ccc(F)cc1O)c1ccccc1 Oc1cc(F)ccc1[*:1] O=C(C[C@@H]1COCCN1C(=O)[*:1])c1ccccc1
O=C(C[C@@H]1COCCN1C(=O)c1ccc(F)cc1O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(c1ccc(F)cc1O)N1CCOC[C@H]1C[*:1]
C=C(C)C(=O)OC[C@H](O)CO C=C(C)[*:1] O=C(OC[C@H](O)CO)[*:1]
CCc1[nH+]ccn1[C@@H](C)[C@@H](C)C[NH3+] C[C@@H](C[NH3+])[*:1] CCc1[nH+]ccn1[C@@H](C)[*:1]
CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCCC3)n2-c2ccccc2F)cc1 Fc1ccccc1[*:1] CCOc1ccc(cc1)-c1nnc(S[C@H](C)C(=O)N2CCCC2)n1[*:1]
CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCCC3)n2-c2ccccc2F)cc1 CCO[*:1] C[C@@H](Sc1nnc(-c2ccc(cc2)[*:1])n1-c1ccccc1F)C(=O)N1CCCC1
CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCCC3)n2-c2ccccc2F)cc1 CCOc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1-c1ccccc1F)[*:1])C(=O)N1CCCC1
CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCCC3)n2-c2ccccc2F)cc1 O=C(N1CCCC1)[*:1] CCOc1ccc(cc1)-c1nnc(S[C@H](C)[*:1])n1-c1ccccc1F
Cc1cc(C[S@@](=O)CC(=O)NCc2ccc3c(c2)OCO3)on1 Cc1cc(on1)[*:1] O=C(C[S@](=O)C[*:1])NCc1ccc2OCOc2c1
Cc1cc(C[S@@](=O)CC(=O)NCc2ccc3c(c2)OCO3)on1 Cc1cc(C[*:1])on1 O=C(C[S@](=O)[*:1])NCc1ccc2OCOc2c1
CNC(=O)COC(=O)Cc1csc(-c2cccc(Br)c2)n1 Brc1cccc(c1)[*:1] CNC(=O)COC(=O)Cc1csc(n1)[*:1]
CNC(=O)COC(=O)Cc1csc(-c2cccc(Br)c2)n1 CNC(=O)C[*:1] O=C(Cc1csc(n1)-c1cccc(Br)c1)O[*:1]
CNC(=O)COC(=O)Cc1csc(-c2cccc(Br)c2)n1 CNC(=O)[*:1] O=C(Cc1csc(n1)-c1cccc(Br)c1)OC[*:1]
N#Cc1cc2c(N)c(C(=O)Nc3cccnc3Cl)sc2nc1N Clc1ncccc1[*:1] N#Cc1cc2c(N)c(sc2nc1N)C(=O)N[*:1]
Fc1ccc(Cc2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 Fc1ccc(cc1)C[*:1] c1cc(nc(c1)[*:1])[C@H]1CCCN(Cc2ccncc2)C1
Fc1ccc(Cc2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 Fc1ccc(cc1)[*:1] c1cc(C[*:1])nc(c1)[C@H]1CCCN(Cc2ccncc2)C1
Fc1ccc(Cc2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 c1cc(ccn1)C[*:1] Fc1ccc(cc1)Cc1cccc(n1)[C@H]1CCCN(C1)[*:1]
Fc1ccc(Cc2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 c1cc(ccn1)[*:1] Fc1ccc(cc1)Cc1cccc(n1)[C@H]1CCCN(C1)C[*:1]
COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)NC1CC1 C1CC1[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N1CCCC1
COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)NC1CC1 O=S(=O)(NC1CC1)[*:1] COc1ccc(cc1[*:1])C(=O)N1CCCC1
COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)NC1CC1 O=C(N1CCCC1)[*:1] COc1ccc(cc1S(=O)(=O)NC1CC1)[*:1]
C[C@](O)(CSc1ccncc1)C(=O)[O-] O=C([O-])[*:1] C[C@](O)(CSc1ccncc1)[*:1]
Cn1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CCC2 O=S(=O)(N1CCCC1)[*:1] Cn1nc2CCCc2c1NC(=O)c1ccc(cc1)[*:1]
CC(C)COCCNC(=O)NNc1ccccc1Cl CC(C)CO[*:1] O=C(NCC[*:1])NNc1ccccc1Cl
CC(C)COCCNC(=O)NNc1ccccc1Cl CC(C)[*:1] O=C(NCCOC[*:1])NNc1ccccc1Cl
CC(C)COCCNC(=O)NNc1ccccc1Cl CC(C)COC[*:1] O=C(NC[*:1])NNc1ccccc1Cl
CC(C)COCCNC(=O)NNc1ccccc1Cl CC(C)C[*:1] O=C(NCCO[*:1])NNc1ccccc1Cl
COc1ccccc1-c1cnn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 COc1ccccc1[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(O)=Nc2c(cnn21)[*:1]
COc1ccccc1-c1cnn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] COc1ccccc1-c1cnn2c1N=C(O)C[C@H]2C(=O)N[*:1]
CSc1ccc(NC(=O)[C@@H](C)n2nc(-c3cc(C)oc3C)cc(N)c2=O)cc1 CSc1ccc(cc1)[*:1] Cc1cc(-c2cc(N)c(=O)n(n2)[C@H](C)C(=O)N[*:1])c(C)o1
CSc1ccc(NC(=O)[C@@H](C)n2nc(-c3cc(C)oc3C)cc(N)c2=O)cc1 Cc1cc(c(C)o1)[*:1] CSc1ccc(cc1)NC(=O)[C@@H](C)n1nc(cc(N)c1=O)[*:1]
O=C(CCC(F)(F)F)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 FC(F)(F)[*:1] O=C(CC[*:1])N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1
O=C(CCC(F)(F)F)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 FC(F)(F)C[*:1] O=C(C[*:1])N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1
O=C(CCC(F)(F)F)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 FC(F)(F)CC[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)[*:1])CN1CC1CC1
O=C(CCC(F)(F)F)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 C1CC1C[*:1] O=C(CCC(F)(F)F)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
O=C(CCC(F)(F)F)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 C1CC1[*:1] O=C(CCC(F)(F)F)N1CCC[C@]2(CCC(=O)N(C2)C[*:1])C1
CCC[NH+](Cc1nc(N)nc(N(C)C)n1)CC1CCCCC1 CN(C)[*:1] CCC[NH+](Cc1nc(N)nc(n1)[*:1])CC1CCCCC1
CCC[NH+](Cc1nc(N)nc(N(C)C)n1)CC1CCCCC1 C1CCC(CC1)C[*:1] CCC[NH+](Cc1nc(N)nc(n1)N(C)C)[*:1]
CCC[NH+](Cc1nc(N)nc(N(C)C)n1)CC1CCCCC1 CCC[*:1] CN(C)c1nc(N)nc(C[NH+](CC2CCCCC2)[*:1])n1
CCC[NH+](Cc1nc(N)nc(N(C)C)n1)CC1CCCCC1 C1CCC(CC1)[*:1] CCC[NH+](Cc1nc(N)nc(n1)N(C)C)C[*:1]
O=C1c2ccccc2N[C@H](c2cccc(Cl)c2Cl)N1C[C@@H]1CCCO1 Clc1cccc(c1Cl)[*:1] O=C1c2ccccc2N[C@H](N1C[C@@H]1CCCO1)[*:1]
O=C1c2ccccc2N[C@H](c2cccc(Cl)c2Cl)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C1c2ccccc2N[C@H](c2cccc(Cl)c2Cl)N1[*:1]
O=C1c2ccccc2N[C@H](c2cccc(Cl)c2Cl)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C1c2ccccc2N[C@H](c2cccc(Cl)c2Cl)N1C[*:1]
C[C@@H]1C[C@H]1[C@H]([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@@H]1C[C@H]1[C@H]([NH3+])[C@@H]1CCC[C@H](C1)[*:1]
C[C@@H]1C[C@H]1[C@H]([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 C[C@@H]1C[C@@H]1[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[C@@H]([NH3+])[*:1]
CCCCCCSc1ncc(OC)c(=O)[nH]1 CCCC[*:1] COc1cnc([nH]c1=O)SCC[*:1]
CCCCCCSc1ncc(OC)c(=O)[nH]1 CCCCC[*:1] COc1cnc([nH]c1=O)SC[*:1]
CCCCCCSc1ncc(OC)c(=O)[nH]1 CCC[*:1] COc1cnc([nH]c1=O)SCCC[*:1]
O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCC2 O=C(NC1CCCC1)[*:1] O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1sc2CCCc2c1[*:1]
O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCC2 C1CCC(C1)[*:1] O=C(N[*:1])c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2CCCc21
O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCC2 O=C([O-])[*:1] O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CCCC[C@@H]2[*:1])sc2CCCc21
C=CCn1c(=O)n(CC)c(=O)c2[nH]c(C(F)(F)F)nc21 FC(F)(F)[*:1] C=CCn1c(=O)n(CC)c(=O)c2[nH]c(nc21)[*:1]
C=CCn1c(=O)n(CC)c(=O)c2[nH]c(C(F)(F)F)nc21 C=CC[*:1] CCn1c(=O)c2[nH]c(nc2n(c1=O)[*:1])C(F)(F)F
Cc1cnc(CN2CC3(CCC2=O)CC[NH+](CCc2nccn2C)CC3)cn1 Cn1ccnc1CC[*:1] Cc1cnc(cn1)CN1CC2(CCC1=O)CC[NH+](CC2)[*:1]
Cc1cnc(CN2CC3(CCC2=O)CC[NH+](CCc2nccn2C)CC3)cn1 Cn1ccnc1[*:1] Cc1cnc(cn1)CN1CC2(CCC1=O)CC[NH+](CC2)CC[*:1]
Cc1cnc(CN2CC3(CCC2=O)CC[NH+](CCc2nccn2C)CC3)cn1 Cc1cnc(cn1)[*:1] Cn1ccnc1CC[NH+]1CCC2(CCC(=O)N(C2)C[*:1])CC1
Cc1cnc(CN2CC3(CCC2=O)CC[NH+](CCc2nccn2C)CC3)cn1 Cn1ccnc1C[*:1] Cc1cnc(cn1)CN1CC2(CCC1=O)CC[NH+](CC2)C[*:1]
Cc1cnc(CN2CC3(CCC2=O)CC[NH+](CCc2nccn2C)CC3)cn1 Cc1cnc(cn1)C[*:1] Cn1ccnc1CC[NH+]1CCC2(CCC(=O)N(C2)[*:1])CC1
COC(=O)[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)[C@H](C)[NH+](C)C)[*:1]
O=C(Nc1ccc2c(c1)COC2)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O Fc1cc(F)cc(c1)[*:1] O=C(Nc1ccc2COCc2c1)[C@@H]1CCN(C1=O)[*:1]
CCN1C[C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)CC1=O c1ncn(C[*:1])n1 CCN1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
CCN1C[C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)CC1=O c1ncn(n1)[*:1] CCN1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)C[*:1]
Cc1noc(COCC(=O)NCc2cccc3ccccc23)n1 Cc1noc(C[*:1])n1 O=C(CO[*:1])NCc1cccc2ccccc12
Cc1noc(COCC(=O)NCc2cccc3ccccc23)n1 Cc1noc(n1)[*:1] O=C(COC[*:1])NCc1cccc2ccccc12
CCOC(=O)[C@@]1(CC)O[C@@]1(C)c1ccc(C)s1 CCOC(=O)[*:1] CC[C@]1(O[C@@]1(C)c1ccc(C)s1)[*:1]
CCc1c(C(=O)CNc2ccc(F)c(C#N)c2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)CNc1ccc(F)c(C#N)c1
CC(=O)c1cccc(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 CC(=O)c1cccc(c1)[*:1] O=C(N[C@@H]1CCCN(C1=O)c1ccccc1F)N[*:1]
CC(=O)c1cccc(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N[C@@H]1CCCN(C1=O)c1ccccc1F
CC(=O)c1cccc(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 Fc1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=O)N[C@@H]1CCCN(C1=O)[*:1]
Cc1ccc(NC(=O)CNC(=O)C(C)(C)C)c(C(=O)[O-])c1 CC(C)(C)[*:1] Cc1ccc(NC(=O)CNC(=O)[*:1])c(c1)C(=O)[O-]
Cc1ccc(NC(=O)CNC(=O)C(C)(C)C)c(C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(NC(=O)CNC(=O)C(C)(C)C)c(c1)[*:1]
Cc1ccc(NC(=O)CNC(=O)C(C)(C)C)c(C(=O)[O-])c1 CC(C)(C)C(=O)N[*:1] Cc1ccc(NC(=O)C[*:1])c(c1)C(=O)[O-]
CSCc1ccnc(N2CCS[C@@H](C)[C@@H]2C)c1 CSC[*:1] C[C@@H]1SCCN(c2cc(ccn2)[*:1])[C@H]1C
CC[C@@H](CBr)C[C@H]1CSc2ccccc21 CC[C@@H](CBr)[*:1] c1ccc2c(c1)SC[C@@H]2C[*:1]
O=C(N/N=C/c1cccs1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 c1csc(c1)[*:1] O=C(NN=C[*:1])c1cccc(c1)NC(=O)c1ccc(Cl)cc1
O=C(N/N=C/c1cccs1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] O=C(N/N=C/c1cccs1)c1cccc(c1)NC(=O)[*:1]
Cc1cccc2[nH]c([C@](C)(N)C(F)(F)F)nc12 FC(F)(F)[*:1] Cc1cccc2[nH]c(nc12)[C@](C)(N)[*:1]
CCn1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C NC(=O)[*:1] CCn1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(cc2)[*:1])c1C
OCC[NH+](Cc1noc2c1CCCC2)C1CC1 OCC[*:1] C1CCc2c(C[NH+](C3CC3)[*:1])noc2C1
OCC[NH+](Cc1noc2c1CCCC2)C1CC1 C1CC1[*:1] OCC[NH+](Cc1noc2CCCCc12)[*:1]
COc1ccc(-c2nc(C(=O)Nc3cc(OC)ccc3F)c(C)o2)cc1 COc1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)c1nc(oc1C)[*:1]
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1Cl)c1ccco1 O=C(c1ccco1)[*:1] O=C1C(O)=C([C@@H](c2ccccc2Cl)N1CCC[NH+]1CCOCC1)[*:1]
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1Cl)c1ccco1 c1coc(c1)[*:1] O=C1C(O)=C(C(=O)[*:1])[C@@H](c2ccccc2Cl)N1CCC[NH+]1CCOCC1
O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1Cl)c1ccco1 Clc1ccccc1[*:1] O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1[*:1])c1ccco1
COc1ccc(C2=NN=C(C(=O)NCCc3c[nH]cn3)C2)c(OC)c1 c1nc(c[nH]1)C[*:1] COc1ccc(C2CC(=NN=2)C(=O)NC[*:1])c(c1)OC
COc1ccc(C2=NN=C(C(=O)NCCc3c[nH]cn3)C2)c(OC)c1 c1nc(c[nH]1)CC[*:1] COc1ccc(C2CC(=NN=2)C(=O)N[*:1])c(c1)OC
COc1ccc(C2=NN=C(C(=O)NCCc3c[nH]cn3)C2)c(OC)c1 c1nc(c[nH]1)[*:1] COc1ccc(C2CC(=NN=2)C(=O)NCC[*:1])c(c1)OC
CC(C)CCOc1ccc([C@@H]2c3c(nc(N4[C@H](C)CCC[C@H]4C)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 CC(C)CC[*:1] C[C@@H]1CCC[C@@H](C)N1c1nc2NC(=O)[C@H](C#N)[C@H](c3ccc(cc3)O[*:1])c2c(=O)[nH]1
CC(C)CCOc1ccc([C@@H]2c3c(nc(N4[C@H](C)CCC[C@H]4C)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 CC(C)[*:1] C[C@@H]1CCC[C@@H](C)N1c1nc2NC(=O)[C@H](C#N)[C@H](c3ccc(cc3)OCC[*:1])c2c(=O)[nH]1
CC(C)CCOc1ccc([C@@H]2c3c(nc(N4[C@H](C)CCC[C@H]4C)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 CC(C)CCO[*:1] C[C@@H]1CCC[C@@H](C)N1c1nc2NC(=O)[C@H](C#N)[C@H](c3ccc(cc3)[*:1])c2c(=O)[nH]1
CC(C)CCOc1ccc([C@@H]2c3c(nc(N4[C@H](C)CCC[C@H]4C)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 CC(C)C[*:1] C[C@@H]1CCC[C@@H](C)N1c1nc2NC(=O)[C@H](C#N)[C@H](c3ccc(cc3)OC[*:1])c2c(=O)[nH]1
CN(C)C(=O)c1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)[nH]1 CN(C)C(=O)[*:1] C[NH+](C)CCCC1CC[NH+](CC1)Cc1ccc([nH]1)[*:1]
COc1cccc(C(=O)Nc2nc(C(C)=O)cs2)c1F CC(=O)[*:1] COc1cccc(C(=O)Nc2nc(cs2)[*:1])c1F
CC(C)/C(=C\C1CCCC1)CBr CC(C)[*:1] BrC/C(=C/C1CCCC1)[*:1]
C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)N1CCc2ccccc21 CC(C)(C)[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)N1CCc2ccccc21
COc1ccccc1COc1cccc(NC(=O)N2C[C@@H]3CC[C@H]2C3)c1C COc1ccccc1[*:1] Cc1c(cccc1OC[*:1])NC(=O)N1C[C@@H]2CC[C@H]1C2
COc1ccccc1COc1cccc(NC(=O)N2C[C@@H]3CC[C@H]2C3)c1C COc1ccccc1C[*:1] Cc1c(cccc1O[*:1])NC(=O)N1C[C@@H]2CC[C@H]1C2
CCN(Cc1ccccc1)C(=O)CNC(=O)NNc1ccc(F)cc1 c1ccc(cc1)C[*:1] CCN(C(=O)CNC(=O)NNc1ccc(F)cc1)[*:1]
CCN(Cc1ccccc1)C(=O)CNC(=O)NNc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(Cc1ccccc1)C(=O)CNC(=O)NN[*:1]
CCN(Cc1ccccc1)C(=O)CNC(=O)NNc1ccc(F)cc1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CNC(=O)NNc1ccc(F)cc1
O=C(NCCc1ccco1)c1cc2ccccc2cc1O c1coc(c1)C[*:1] O=C(NC[*:1])c1cc2ccccc2cc1O
O=C(NCCc1ccco1)c1cc2ccccc2cc1O c1coc(c1)[*:1] O=C(NCC[*:1])c1cc2ccccc2cc1O
O=C(NCCc1ccco1)c1cc2ccccc2cc1O c1coc(c1)CC[*:1] O=C(N[*:1])c1cc2ccccc2cc1O
O=c1c(=O)n2c(nn1Cc1cccc(C(F)(F)F)c1)N(c1ccccc1)CC2 c1ccc(cc1)[*:1] O=c1c(=O)n2CCN(c2nn1Cc1cccc(c1)C(F)(F)F)[*:1]
O=c1c(=O)n2c(nn1Cc1cccc(C(F)(F)F)c1)N(c1ccccc1)CC2 FC(F)(F)[*:1] O=c1c(=O)n2CCN(c3ccccc3)c2nn1Cc1cccc(c1)[*:1]
Cc1c2c(cc3c1O/C(=C\c1ccccn1)C3=O)CN(Cc1cccs1)CO2 c1ccc(nc1)[*:1] Cc1c2OCN(Cc3cccs3)Cc2cc2C(=O)C(=C[*:1])Oc21
Cc1c2c(cc3c1O/C(=C\c1ccccn1)C3=O)CN(Cc1cccs1)CO2 c1csc(c1)[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3ccccn3)Oc21)C[*:1]
Cc1c2c(cc3c1O/C(=C\c1ccccn1)C3=O)CN(Cc1cccs1)CO2 c1csc(c1)C[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3ccccn3)Oc21)[*:1]
CC(C)CN1C(=O)C(=O)N(Cc2nc(-c3ccco3)no2)C1=O c1coc(c1)[*:1] CC(C)CN1C(=O)C(=O)N(Cc2nc(no2)[*:1])C1=O
CC(C)CN1C(=O)C(=O)N(Cc2nc(-c3ccco3)no2)C1=O CC(C)[*:1] O=C1C(=O)N(C[*:1])C(=O)N1Cc1nc(no1)-c1ccco1
CC(C)CN1C(=O)C(=O)N(Cc2nc(-c3ccco3)no2)C1=O CC(C)C[*:1] O=C1C(=O)N(C(=O)N1Cc1nc(no1)-c1ccco1)[*:1]
O=c1c([N+](=O)[O-])cn(Cc2ccccc2)c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] O=c1c(cn(C[*:1])c(=O)n1Cc1ccccc1)[N+](=O)[O-]
O=c1c([N+](=O)[O-])cn(Cc2ccccc2)c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] O=c1c(cn(c(=O)n1Cc1ccccc1)[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])cn(Cc2ccccc2)c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] O=c1c(cn(Cc2ccccc2)c(=O)n1[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])cn(Cc2ccccc2)c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] O=c1c(cn(Cc2ccccc2)c(=O)n1C[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])cn(Cc2ccccc2)c(=O)n1Cc1ccccc1 O=[N+]([O-])[*:1] O=c1c(cn(Cc2ccccc2)c(=O)n1Cc1ccccc1)[*:1]
O=C(CC1(O)CCCC1)NCc1cn2cc(Br)ccc2n1 OC1(CCCC1)C[*:1] O=C(NCc1cn2cc(Br)ccc2n1)[*:1]
O=C(CC1(O)CCCC1)NCc1cn2cc(Br)ccc2n1 OC1(CCCC1)[*:1] O=C(C[*:1])NCc1cn2cc(Br)ccc2n1
COC[C@H]1CCCN(C(=O)NCc2ccc([N+]3=CCCC3)cc2)C1 COC[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)N1CCC[C@@H](C1)[*:1]
COc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c(Cl)c1 COc1ccc(c(Cl)c1)[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
COc1ccc(NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c(Cl)c1 CC1CCN(CC1)[*:1] COc1ccc(NC(=O)NCc2ccc([nH+]c2)[*:1])c(Cl)c1
COc1ccc2c(c1)C[C@@H](C(=O)NCc1cccc(N3CCCC3)c1)CO2 C1CCN(C1)[*:1] COc1ccc2OC[C@@H](Cc2c1)C(=O)NCc1cccc(c1)[*:1]
CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2F)cc1C CCOC(=O)[*:1] Cc1cc(NC(=O)c2ccc(F)cc2F)sc1[*:1]
CCCCNC(=O)N1CCC(c2nc(CC(C)C)no2)CC1 CCCC[*:1] CC(C)Cc1noc(n1)C1CCN(CC1)C(=O)N[*:1]
CCCCNC(=O)N1CCC(c2nc(CC(C)C)no2)CC1 CCC[*:1] CC(C)Cc1noc(n1)C1CCN(CC1)C(=O)NC[*:1]
CCCCNC(=O)N1CCC(c2nc(CC(C)C)no2)CC1 CC(C)C[*:1] CCCCNC(=O)N1CCC(CC1)c1nc(no1)[*:1]
CCCCNC(=O)N1CCC(c2nc(CC(C)C)no2)CC1 CC(C)[*:1] CCCCNC(=O)N1CCC(CC1)c1nc(C[*:1])no1
C[NH+]1CCN(c2cc(CNC(=O)NCc3cccs3)cc[nH+]2)CC1 c1csc(c1)[*:1] C[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)NC[*:1]
C[NH+]1CCN(c2cc(CNC(=O)NCc3cccs3)cc[nH+]2)CC1 c1csc(c1)C[*:1] C[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)N[*:1]
CC(=O)N1CCc2ccc(NC(=O)c3sc(-n4cccc4)nc3C)cc21 c1ccn(c1)[*:1] CC(=O)N1CCc2ccc(cc21)NC(=O)c1sc(nc1C)[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1C[C@H]1[*:1]
CNC(=O)c1cc(OC)ccc1NC(=O)C[C@@H](C)NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 CNC(=O)c1cc(ccc1NC(=O)C[C@@H](C)[*:1])OC
CNC(=O)c1cc(OC)ccc1NC(=O)C[C@@H](C)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)c1cc(ccc1NC(=O)C[C@@H](C)NC(=O)[*:1])OC
CNC(=O)c1cc(OC)ccc1NC(=O)C[C@@H](C)NC(=O)c1ccccc1 CNC(=O)[*:1] COc1ccc(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)c(c1)[*:1]
C=CCc1cc(C(=O)Nc2ccc(C(N)=O)cc2F)cc(OC)c1OC C=CC[*:1] COc1cc(cc(c1OC)[*:1])C(=O)Nc1ccc(cc1F)C(N)=O
C=CCc1cc(C(=O)Nc2ccc(C(N)=O)cc2F)cc(OC)c1OC NC(=O)[*:1] C=CCc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)[*:1]
O=C(CSc1ncnc2ccccc12)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 c1ccc2c(ncnc2c1)[*:1] O=C(CS[*:1])Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
O=C(CSc1ncnc2ccccc12)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] O=C(CSc1ncnc2ccccc12)Nc1ccccc1[*:1]
O=C(CSc1ncnc2ccccc12)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1ncnc2ccccc12)Nc1ccccc1C(=O)N[*:1]
CCc1nnc(NC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)s1 O=C1CCCN1[*:1] CCc1nnc(NC(=O)N[C@@H](C)c2ccc(cc2)[*:1])s1
CCc1nnc(NC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)s1 CCc1nnc(s1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)N1CCCC1=O
Cc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N3CCC(C(N)=O)CC3)o2)cc1 NC(=O)C1CCN(CC1)[*:1] Cc1ccc(cc1)-c1nc(c(o1)[*:1])S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N3CCC(C(N)=O)CC3)o2)cc1 Cc1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
Cc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N3CCC(C(N)=O)CC3)o2)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1nc(c(o1)N1CCC(CC1)[*:1])S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N3CCC(C(N)=O)CC3)o2)cc1 c1cc2OCCOc2cc1[*:1] Cc1ccc(cc1)-c1nc(c(o1)N1CCC(CC1)C(N)=O)S(=O)(=O)[*:1]
NC(=O)NC(=O)[C@@H](NCC(=O)N1CCCC1)c1ccccc1 O=C(N1CCCC1)[*:1] NC(=O)NC(=O)[C@@H](NC[*:1])c1ccccc1
NC(=O)NC(=O)[C@@H](NCC(=O)N1CCCC1)c1ccccc1 NC(=O)NC(=O)[*:1] O=C(CN[C@@H](c1ccccc1)[*:1])N1CCCC1
NC(=O)NC(=O)[C@@H](NCC(=O)N1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)NC(=O)[C@@H](NCC(=O)N1CCCC1)[*:1]
Cc1csc([C@H](C)NC(=O)C(=O)Nc2ccccc2Cl)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)[*:1]
Cc1csc([C@H](C)NC(=O)C(=O)Nc2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1csc(n1)[C@H](C)NC(=O)C(=O)N[*:1]
Fc1ccc(-c2nc3ncccn3c2NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Fc1ccc(cc1)-c1nc2ncccn2c1N[*:1]
Fc1ccc(-c2nc3ncccn3c2NCc2ccccc2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)-c1nc2ncccn2c1NC[*:1]
Fc1ccc(-c2nc3ncccn3c2NCc2ccccc2)cc1 Fc1ccc(cc1)[*:1] c1ccc(cc1)CNc1c(nc2ncccn12)[*:1]
Fc1ccc(-c2nc3ncccn3c2NCc2ccccc2)cc1 c1ccc(cc1)CN[*:1] Fc1ccc(cc1)-c1nc2ncccn2c1[*:1]
COC(=O)c1ccc(CN(C)C(=O)NCC[NH+]2CCC(C)CC2)cc1 COC(=O)[*:1] CC1CC[NH+](CCNC(=O)N(C)Cc2ccc(cc2)[*:1])CC1
CN(C(=O)COC(=O)c1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] CN(C(=O)COC(=O)[*:1])c1ccccc1
CN(C(=O)COC(=O)c1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)COC(=O)c1ccc(Cl)cc1)[*:1]
O=C(NNS(=O)(=O)/C=C/c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(NNS(=O)(=O)C=C[*:1])c1c[nH]c2ccccc12
O=C(NNS(=O)(=O)/C=C/c1ccccc1)c1c[nH]c2ccccc12 C(=C[*:1])c1ccccc1 O=C(NNS(=O)(=O)[*:1])c1c[nH]c2ccccc12
O=C(CCc1cccc(Br)c1)Nn1cnc2ccccc21 Brc1cccc(c1)[*:1] O=C(CC[*:1])Nn1cnc2ccccc21
C[C@H]1CN(S(=O)(=O)CC2CCC2)c2ccc(F)cc2O1 C1CC(C1)C[*:1] C[C@H]1CN(c2ccc(F)cc2O1)S(=O)(=O)[*:1]
C[C@H]1CN(S(=O)(=O)CC2CCC2)c2ccc(F)cc2O1 C1CC(C1)[*:1] C[C@H]1CN(c2ccc(F)cc2O1)S(=O)(=O)C[*:1]
COc1cc(C[NH+]2CCC(c3ccnn3C)CC2)c(SC)cc1OC Cn1nccc1[*:1] COc1cc(C[NH+]2CCC(CC2)[*:1])c(cc1OC)SC
Cc1c(Cl)cccc1-n1ccnc1SCCN1CCOC1=O O=C1OCCN1C[*:1] Cc1c(Cl)cccc1-n1ccnc1SC[*:1]
Cc1c(Cl)cccc1-n1ccnc1SCCN1CCOC1=O O=C1OCCN1[*:1] Cc1c(Cl)cccc1-n1ccnc1SCC[*:1]
CC(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 c1coc(c1)[*:1] CC(=O)NC[C@H](S(=O)(=O)c1ccccc1)[*:1]
CC(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 CC(=O)NC[*:1] O=S(=O)(c1ccccc1)[C@@H](c1ccco1)[*:1]
CC(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)NC[C@H](c1ccco1)S(=O)(=O)[*:1]
CC(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 CC(=O)N[*:1] O=S(=O)(c1ccccc1)[C@H](C[*:1])c1ccco1
COc1ccc([C@H](O)[C@H](C)NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)C1(CCCC1)c1ccc(F)cc1)[C@@H](O)[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)C1(CCCC1)[*:1]
CCC[NH2+][C@H](c1ccco1)c1ccc(OCC)cc1Br CCO[*:1] CCC[NH2+][C@H](c1ccco1)c1ccc(cc1Br)[*:1]
CCC[NH2+][C@H](c1ccco1)c1ccc(OCC)cc1Br CCC[*:1] CCOc1ccc(c(Br)c1)[C@H]([NH2+][*:1])c1ccco1
CCC[NH2+][C@H](c1ccco1)c1ccc(OCC)cc1Br c1coc(c1)[*:1] CCC[NH2+][C@H](c1ccc(cc1Br)OCC)[*:1]
Cc1ccc(CNC(=O)c2cnn(-c3ccccc3)c2)n1C c1ccc(cc1)[*:1] Cc1ccc(CNC(=O)c2cnn(c2)[*:1])n1C
Cc1ccc(CNC(=O)c2cnn(-c3ccccc3)c2)n1C Cc1ccc(n1C)[*:1] O=C(NC[*:1])c1cnn(c1)-c1ccccc1
CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1OCc1ccccc1 CC(=O)[*:1] CC1Nc2nnnn2[C@H](C=1[*:1])c1ccccc1OCc1ccccc1
CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1[*:1]
CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1OCc1ccccc1 c1ccc(cc1)C[*:1] CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1O[*:1]
CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1OCc1ccccc1 c1ccc(cc1)[*:1] CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1OC[*:1]
C=CCN(CCO)c1nc(-c2ccccn2)nc2c1CCC2 C=CC[*:1] OCCN(c1nc(nc2CCCc21)-c1ccccn1)[*:1]
C=CCN(CCO)c1nc(-c2ccccn2)nc2c1CCC2 OCC[*:1] C=CCN(c1nc(nc2CCCc21)-c1ccccn1)[*:1]
C=CCN(CCO)c1nc(-c2ccccn2)nc2c1CCC2 c1ccc(nc1)[*:1] C=CCN(CCO)c1nc(nc2CCCc21)[*:1]
C=CCN(CCO)c1nc(-c2ccccn2)nc2c1CCC2 C=CCN(CCO)[*:1] c1ccc(nc1)-c1nc2CCCc2c(n1)[*:1]
CO[C@H](C(=O)N1CCC(n2cc(C(=O)NC3CCCC3)nn2)CC1)c1ccccc1 C1CCC(C1)[*:1] CO[C@H](C(=O)N1CCC(CC1)n1cc(nn1)C(=O)N[*:1])c1ccccc1
CO[C@H](C(=O)N1CCC(n2cc(C(=O)NC3CCCC3)nn2)CC1)c1ccccc1 O=C(NC1CCCC1)[*:1] CO[C@H](C(=O)N1CCC(CC1)n1cc(nn1)[*:1])c1ccccc1
CO[C@H](C(=O)N1CCC(n2cc(C(=O)NC3CCCC3)nn2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)N1CCC(CC1)n1cc(nn1)C(=O)NC1CCCC1)[*:1]
C[C@H](C(=O)N1CCCCC1)N1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 c1cc(ccn1)[*:1] C[C@H](C(=O)N1CCCCC1)N1CC[NH+](CC1)Cc1cccc(c1)[*:1]
C[C@H](C(=O)N1CCCCC1)N1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 O=C(N1CCCCC1)[*:1] C[C@H](N1CC[NH+](CC1)Cc1cccc(c1)-c1ccncc1)[*:1]
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCc3ccco3)cc12 Clc1ccc(cc1)[*:1] Cc1nn(C[*:1])c2sc(cc12)C(=O)NCc1ccco1
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCc3ccco3)cc12 c1coc(c1)[*:1] Cc1nn(Cc2ccc(Cl)cc2)c2sc(cc12)C(=O)NC[*:1]
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCc3ccco3)cc12 Clc1ccc(cc1)C[*:1] Cc1nn(c2sc(cc12)C(=O)NCc1ccco1)[*:1]
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCc3ccco3)cc12 c1coc(c1)C[*:1] Cc1nn(Cc2ccc(Cl)cc2)c2sc(cc12)C(=O)N[*:1]
CC(C)(C)c1ccc(OCC(=O)Nc2ncccn2)cc1 c1cnc(nc1)[*:1] CC(C)(C)c1ccc(cc1)OCC(=O)N[*:1]
CC(C)(C)c1ccc(OCC(=O)Nc2ncccn2)cc1 CC(C)(C)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ncccn1
CCn1c(CCNC(=O)N[C@@H](CO)c2ccco2)nc2ccccc21 c1coc(c1)[*:1] CCn1c(CCNC(=O)N[C@@H](CO)[*:1])nc2ccccc21
NC1=NC(=O)[C@@](Cc2ccc(Br)cc2)(c2cccc(Br)c2)N1 Brc1cccc(c1)[*:1] NC1=NC(=O)[C@@](Cc2ccc(Br)cc2)(N1)[*:1]
NC1=NC(=O)[C@@](Cc2ccc(Br)cc2)(c2cccc(Br)c2)N1 Brc1ccc(cc1)[*:1] NC1=NC(=O)[C@](C[*:1])(N1)c1cccc(Br)c1
CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 Cc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)Nc1ccc(cc1)NC(=O)C(C)C
CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 Cc1ccccc1O[*:1] CC[C@H](C(=O)Nc1ccc(cc1)NC(=O)C(C)C)[*:1]
CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
O=C(COc1cccc(Cl)c1)NC[C@@]1(N2CCOCC2)CCSC1 Clc1cccc(c1)O[*:1] O=C(C[*:1])NC[C@]1(CCSC1)N1CCOCC1
O=C(COc1cccc(Cl)c1)NC[C@@]1(N2CCOCC2)CCSC1 C1CN(CCO1)[*:1] O=C(COc1cccc(Cl)c1)NC[C@]1(CCSC1)[*:1]
O=C(COc1cccc(Cl)c1)NC[C@@]1(N2CCOCC2)CCSC1 Clc1cccc(c1)[*:1] O=C(CO[*:1])NC[C@]1(CCSC1)N1CCOCC1
Cc1cc([C@@H](C)[C@@H](C)Br)ccc1F C[C@@H](Br)[*:1] Cc1cc(ccc1F)[C@@H](C)[*:1]
COC(=O)c1ccccc1Nc1ncnc(-n2ccnc2)c1[N+](=O)[O-] c1cn(cn1)[*:1] COC(=O)c1ccccc1Nc1ncnc(c1[N+](=O)[O-])[*:1]
COC(=O)c1ccccc1Nc1ncnc(-n2ccnc2)c1[N+](=O)[O-] COC(=O)[*:1] O=[N+]([O-])c1c(ncnc1-n1ccnc1)Nc1ccccc1[*:1]
COC(=O)c1ccccc1Nc1ncnc(-n2ccnc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)c1ccccc1Nc1ncnc(c1[*:1])-n1ccnc1
Cc1c(CCNC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)cnn1C Cc1c(cnn1C)CC[*:1] O=C(N[C@H]1CCCN(C1=O)c1ccccc1F)N[*:1]
Cc1c(CCNC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)cnn1C Cc1c(cnn1C)[*:1] O=C(NCC[*:1])N[C@H]1CCCN(C1=O)c1ccccc1F
Cc1c(CCNC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)cnn1C Cc1c(cnn1C)C[*:1] O=C(NC[*:1])N[C@H]1CCCN(C1=O)c1ccccc1F
Cc1c(CCNC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)cnn1C Fc1ccccc1[*:1] Cc1c(cnn1C)CCNC(=O)N[C@H]1CCCN(C1=O)[*:1]
CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 Clc1ccc(cc1)[*:1] CCCn1cc(C(=O)N[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 CCC[*:1] O=C(Nc1ccc(Cl)cc1)c1cn(cc2-c1nn(-c1ccccc1)c2=O)[*:1]
CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c2nn(c(=O)c-2c1)[*:1]
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] CCOC(=O)c1[nH]c2cc(OC)c(cc2c1NC(=O)[*:1])OC
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cc2ccccc2o1 CCOC(=O)[*:1] COc1cc2[nH]c(c(NC(=O)c3cc4ccccc4o3)c2cc1OC)[*:1]
Cc1cccc2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c(=O)oc12 O=[N+]([O-])[*:1] Cc1cccc2cc(-c3nc4ccc(cc4[nH]3)[*:1])c(=O)oc12
Cn1ncc2c(S[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3)ncnc21 Clc1cc(Cl)cc(c1)[*:1] Cn1ncc2c(ncnc21)S[C@H](C(=O)N[*:1])c1ccccc1
Cn1ncc2c(S[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3)ncnc21 c1ccc(cc1)[*:1] Cn1ncc2c(ncnc21)S[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[*:1]
O=C(NCc1nccs1)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 c1csc(C[*:1])n1 O=C(NC[C@@H]1CC[C@H](O1)C(=O)[O-])N[*:1]
O=C(NCc1nccs1)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 c1csc(n1)[*:1] O=C(NC[C@@H]1CC[C@H](O1)C(=O)[O-])NC[*:1]
O=C(NCc1nccs1)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 O=C([O-])[*:1] O=C(NCc1nccs1)NC[C@@H]1CC[C@@H](O1)[*:1]
Cn1cc(CCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cn1 Cn1cc(cn1)C[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)C[*:1]
Cn1cc(CCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cn1 Cn1cc(cn1)[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)CC[*:1]
Cn1cc(CCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cn1 N#Cc1ccccc1[*:1] Cn1cc(cn1)CCC(=O)NCc1ccc(cc1)[*:1]
Cn1cc(CCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cn1 Cn1cc(cn1)CC[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)[*:1]
Cc1c(Cl)cccc1N[C@H](C)c1nc(C(C)C)no1 CC(C)[*:1] Cc1c(Cl)cccc1N[C@H](C)c1nc(no1)[*:1]
CC(C)(C)c1ccc(C(=O)N/C(=C/c2ccc(O)cc2)C(=O)NN)cc1 CC(C)(C)[*:1] NNC(=O)/C(=C\c1ccc(O)cc1)NC(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)N/C(=C/c2ccc(O)cc2)C(=O)NN)cc1 NNC(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N/C(=C/c1ccc(O)cc1)[*:1]
CC(C)(C)c1ccc(C(=O)N/C(=C/c2ccc(O)cc2)C(=O)NN)cc1 Oc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NC(=C[*:1])C(=O)NN
COc1cccc([C@H](C)NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 COc1cccc(c1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)[*:1]
COc1cccc([C@H](C)NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 Clc1ccccc1[*:1] COc1cccc(c1)[C@H](C)NC(=O)c1c(noc1C)[*:1]
CC(C)CSC[C@H](C)[NH2+][C@H]1COc2ccccc21 CC(C)CS[*:1] C[C@@H](C[*:1])[NH2+][C@H]1COc2ccccc21
CC(C)CSC[C@H](C)[NH2+][C@H]1COc2ccccc21 CC(C)C[*:1] C[C@@H](CS[*:1])[NH2+][C@H]1COc2ccccc21
CC(C)CSC[C@H](C)[NH2+][C@H]1COc2ccccc21 CC(C)[*:1] C[C@@H](CSC[*:1])[NH2+][C@H]1COc2ccccc21
CC(C)CSC[C@H](C)[NH2+][C@H]1COc2ccccc21 CC(C)CSC[*:1] C[C@H]([NH2+][C@H]1COc2ccccc21)[*:1]
COCCS(=O)(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 O=C([O-])[*:1] COCCS(=O)(=O)N1C[C@@H](c2ccccc21)[*:1]
COCCS(=O)(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 COC[*:1] O=C([O-])[C@@H]1CN(c2ccccc21)S(=O)(=O)C[*:1]
COCCS(=O)(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 COCC[*:1] O=C([O-])[C@@H]1CN(c2ccccc21)S(=O)(=O)[*:1]
CCC(CC)=NNC(=O)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CCC(CC)=NNC(=O)c1ccc(cc1)[*:1]
CCC(CC)=NNC(=O)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CCC(CC)=NNC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(CCNC(=O)NCc2cnn3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])NCc1cnn2ccccc12
CCCN(CC(=O)NC)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 CCC[*:1] CNC(=O)CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)[*:1]
CCCN(CC(=O)NC)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 CNC(=O)[*:1] CCCN(C[*:1])C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
CCCN(CC(=O)NC)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 CNC(=O)C[*:1] CCCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)[*:1]
CC(C)C[C@@]1([C@H]2CCC[C@H](S(C)(=O)=O)C2)CCC[NH2+]1 CC(C)C[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[C@]1(CCC[NH2+]1)[*:1]
CC(C)C[C@@]1([C@H]2CCC[C@H](S(C)(=O)=O)C2)CCC[NH2+]1 CS(=O)(=O)[*:1] CC(C)C[C@]1(CCC[NH2+]1)[C@H]1CCC[C@H](C1)[*:1]
CC(C)C[C@@]1([C@H]2CCC[C@H](S(C)(=O)=O)C2)CCC[NH2+]1 CC(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[C@@]1(CCC[NH2+]1)C[*:1]
CCOC(=O)CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)CC1 CCOC(=O)[*:1] Cc1ccccc1Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)C[*:1]
CCOC(=O)CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)CC1 CCOC(=O)C[*:1] Cc1ccccc1Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)[*:1]
CCOC(=O)CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)CC1 Cc1ccccc1[*:1] CCOC(=O)CN1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
CCOC(=O)CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)CC1 Cc1ccccc1C[*:1] CCOC(=O)CN1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
C[C@@H](CC1CCCC1)C(=O)N1CCO[C@H]2CCCC[C@@H]21 C1CCC(C1)C[*:1] C[C@@H](C(=O)N1CCO[C@H]2CCCC[C@@H]21)[*:1]
C[C@@H](CC1CCCC1)C(=O)N1CCO[C@H]2CCCC[C@@H]21 C1CCC(C1)[*:1] C[C@@H](C[*:1])C(=O)N1CCO[C@H]2CCCC[C@@H]21
CC(=O)c1ccc(N2CCN(C(C)=O)CC2)cc1 CC(=O)[*:1] CC(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
C[C@H]([NH2+]Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(cc1)S(=O)(=O)N(C)C
C[C@H]([NH2+]Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] C[C@H]([NH2+]Cc1ccccc1)c1ccc(cc1)[*:1]
C[C@H]([NH2+]Cc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 c1ccc(cc1)C[*:1] C[C@H]([NH2+][*:1])c1ccc(cc1)S(=O)(=O)N(C)C
O=C(N[C@H](c1ccccc1)c1ccncc1)[C@H]1COc2ccccc2C1 c1cc(ccn1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])[C@H]1COc2ccccc2C1
O=C(N[C@H](c1ccccc1)c1ccncc1)[C@H]1COc2ccccc2C1 c1ccc(cc1)[*:1] O=C(N[C@H](c1ccncc1)[*:1])[C@H]1COc2ccccc2C1
CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 CC(C)(C)[*:1] O=C(Nc1cc(ccc1O)[*:1])[C@H]1CC(=O)N(C1)C1CC1
CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 C1CC1[*:1] CC(C)(C)c1ccc(O)c(c1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
C#Cc1cc(F)c(NC(=O)NC[C@@H]2CCCO[C@H]2C(C)C)c(F)c1 CC(C)[*:1] C#Cc1cc(F)c(NC(=O)NC[C@@H]2CCCO[C@@H]2[*:1])c(F)c1
CCC(C)(C)[C@@H]1CC[C@H]2N=N[C@@H](C(=O)N/N=C/C3=c4ccccc4=[NH+]C3)[C@@H]2C1 CCC(C)(C)[*:1] O=C(N/N=C/C1C[NH+]=c2ccccc2=1)[C@@H]1N=N[C@@H]2CC[C@H](C[C@H]21)[*:1]
Nc1cc(-c2cccs2)nn(CC(=O)Nc2cccc(OC(F)(F)F)c2)c1=O FC(F)(F)[*:1] Nc1cc(nn(CC(=O)Nc2cccc(c2)O[*:1])c1=O)-c1cccs1
Nc1cc(-c2cccs2)nn(CC(=O)Nc2cccc(OC(F)(F)F)c2)c1=O c1csc(c1)[*:1] Nc1cc(nn(CC(=O)Nc2cccc(c2)OC(F)(F)F)c1=O)[*:1]
Nc1cc(-c2cccs2)nn(CC(=O)Nc2cccc(OC(F)(F)F)c2)c1=O FC(F)(F)O[*:1] Nc1cc(nn(CC(=O)Nc2cccc(c2)[*:1])c1=O)-c1cccs1
Cc1cccc(C(=O)[O-])c1NC(=O)N[C@H]1CCCC1(C)C O=C([O-])[*:1] Cc1cccc(c1NC(=O)N[C@H]1CCCC1(C)C)[*:1]
Cc1cccc(C(=O)[O-])c1NC(=O)N[C@H]1CCCC1(C)C CC1(C)CCC[C@@H]1[*:1] Cc1cccc(C(=O)[O-])c1NC(=O)N[*:1]
[NH3+]CCc1cccc(OC(F)F)c1 [NH3+]CC[*:1] FC(F)Oc1cccc(c1)[*:1]
[NH3+]CCc1cccc(OC(F)F)c1 FC(F)[*:1] [NH3+]CCc1cccc(c1)O[*:1]
[NH3+]CCc1cccc(OC(F)F)c1 FC(F)O[*:1] [NH3+]CCc1cccc(c1)[*:1]
O=C(CN1C(=O)C=C(c2cccs2)Nc2ccccc21)Nc1ccc(Br)cc1F c1csc(c1)[*:1] O=C(CN1C(=O)C=C(Nc2ccccc21)[*:1])Nc1ccc(Br)cc1F
O=C(CN1C(=O)C=C(c2cccs2)Nc2ccccc21)Nc1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] O=C(CN1C(=O)C=C(Nc2ccccc21)c1cccs1)N[*:1]
Cc1cccc(-c2ncc(C(=O)N3CCC(c4nncn4C)CC3)c(=O)[nH]2)c1 Cc1cccc(c1)[*:1] Cn1cnnc1C1CCN(CC1)C(=O)c1cnc([nH]c1=O)[*:1]
Cc1cccc(-c2ncc(C(=O)N3CCC(c4nncn4C)CC3)c(=O)[nH]2)c1 Cn1cnnc1[*:1] Cc1cccc(c1)-c1ncc(C(=O)N2CCC(CC2)[*:1])c(=O)[nH]1
Cc1sc(NC(=O)CCCCNC(N)=O)nc1-c1ccc(F)cc1 NC(=O)N[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)CCCC[*:1]
Cc1sc(NC(=O)CCCCNC(N)=O)nc1-c1ccc(F)cc1 NC(=O)NC[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)CCC[*:1]
Cc1sc(NC(=O)CCCCNC(N)=O)nc1-c1ccc(F)cc1 NC(=O)NCC[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)CC[*:1]
Cc1sc(NC(=O)CCCCNC(N)=O)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)CCCCNC(N)=O
Cc1sc(NC(=O)CCCCNC(N)=O)nc1-c1ccc(F)cc1 NC(=O)NCCC[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)C[*:1]
Cc1sc(NC(=O)CCCCNC(N)=O)nc1-c1ccc(F)cc1 NC(=O)NCCCC[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)[*:1]
C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1 c1cc(cs1)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4cccc(Br)c4)cn(C)c3c2=O)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)-n1c(=O)[nH]c2c(cn(C)c2c1=O)C(=O)N[*:1]
Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4cccc(Br)c4)cn(C)c3c2=O)cc1 Cc1ccc(cc1)[*:1] Cn1cc(C(=O)Nc2cccc(Br)c2)c2[nH]c(=O)n(c(=O)c21)[*:1]
CCN(Cc1ccoc1)C(=O)NCCn1cccc1 c1cc(co1)[*:1] CCN(C[*:1])C(=O)NCCn1cccc1
CCN(Cc1ccoc1)C(=O)NCCn1cccc1 c1ccn(c1)C[*:1] CCN(Cc1ccoc1)C(=O)NC[*:1]
CCN(Cc1ccoc1)C(=O)NCCn1cccc1 c1ccn(c1)[*:1] CCN(Cc1ccoc1)C(=O)NCC[*:1]
CCN(Cc1ccoc1)C(=O)NCCn1cccc1 c1cc(co1)C[*:1] CCN(C(=O)NCCn1cccc1)[*:1]
COc1cccc(SCCCCCS)c1 SCCC[*:1] COc1cccc(c1)SCC[*:1]
COc1cccc(SCCCCCS)c1 SCC[*:1] COc1cccc(c1)SCCC[*:1]
COc1cccc(SCCCCCS)c1 SCCCC[*:1] COc1cccc(c1)SC[*:1]
Cn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cccc(O)c2)CC1 c1cn(cn1)C[*:1] Cn1c(nnc1[*:1])C1CC[NH+](CC1)Cc1cccc(O)c1
Cn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cccc(O)c2)CC1 Oc1cccc(c1)[*:1] Cn1c(Cn2ccnc2)nnc1C1CC[NH+](CC1)C[*:1]
Cn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cccc(O)c2)CC1 c1cn(cn1)[*:1] Cn1c(C[*:1])nnc1C1CC[NH+](CC1)Cc1cccc(O)c1
Cn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cccc(O)c2)CC1 Oc1cccc(c1)C[*:1] Cn1c(Cn2ccnc2)nnc1C1CC[NH+](CC1)[*:1]
CC(=O)c1cc2c(cc1OC(=O)CCCn1ccnn1)CCCC2 c1cn(C[*:1])nn1 CC(=O)c1cc2CCCCc2cc1OC(=O)CC[*:1]
CC(=O)c1cc2c(cc1OC(=O)CCCn1ccnn1)CCCC2 CC(=O)[*:1] O=C(CCCn1ccnn1)Oc1cc2CCCCc2cc1[*:1]
CC(=O)c1cc2c(cc1OC(=O)CCCn1ccnn1)CCCC2 c1cn(CC[*:1])nn1 CC(=O)c1cc2CCCCc2cc1OC(=O)C[*:1]
CC(=O)c1cc2c(cc1OC(=O)CCCn1ccnn1)CCCC2 c1cn(CCC[*:1])nn1 CC(=O)c1cc2CCCCc2cc1OC(=O)[*:1]
CC(=O)c1cc2c(cc1OC(=O)CCCn1ccnn1)CCCC2 c1cn(nn1)[*:1] CC(=O)c1cc2CCCCc2cc1OC(=O)CCC[*:1]
CCCOc1cccc([C@@H](O)[C@]2(C[NH3+])CC[C@H](CC)C2)c1 CCCO[*:1] CC[C@H]1CC[C@](C[NH3+])(C1)[C@H](O)c1cccc(c1)[*:1]
CCCOc1cccc([C@@H](O)[C@]2(C[NH3+])CC[C@H](CC)C2)c1 CCC[*:1] CC[C@H]1CC[C@](C[NH3+])(C1)[C@H](O)c1cccc(c1)O[*:1]
Cc1ccc(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)cc1N1CCOC1=O O=C1OCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)/C=C/c1ccc(o1)[C@H]1C[C@@H]1C
CN1CCO[C@H](CN2CCOC[C@@H]2C(=O)[O-])C1 O=C([O-])[*:1] CN1CCO[C@@H](C1)CN1CCOC[C@H]1[*:1]
CC[C@@H](NC(=O)CCc1ccccc1C)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@@H](NC(=O)CCc1ccccc1C)[*:1]
CC[C@@H](NC(=O)CCc1ccccc1C)c1nc(C)n[nH]1 Cc1ccccc1[*:1] CC[C@@H](NC(=O)CC[*:1])c1nc(C)n[nH]1
Cc1cc2n([nH+]1)C[C@@H](CN[C@H](c1ccccc1)c1[nH+]ccn1C)CN2 c1ccc(cc1)[*:1] Cc1cc2NC[C@H](CN[C@H](c3[nH+]ccn3C)[*:1])Cn2[nH+]1
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N[C@@H]([C@@H]1CCCO1)[*:1]
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N[C@@H](c1ccccc1)[*:1]
O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCO2 O=[N+]([O-])[*:1] O=C(Cn1cc(ccc1=O)[*:1])c1ccc2OCOc2c1
Cn1cc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c2ccccc21 Cn1cc(C[*:1])c2ccccc21 O=C(N[C@@H](C(=O)[O-])[*:1])OCC1c2ccccc2-c2ccccc21
Cn1cc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c2ccccc21 O=C([O-])[*:1] Cn1cc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[*:1])c2ccccc21
Cn1cc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c2ccccc21 Cn1cc(c2ccccc21)[*:1] O=C(N[C@H](C[*:1])C(=O)[O-])OCC1c2ccccc2-c2ccccc21
C[C@H](OC(=O)c1ccncc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] C[C@H](OC(=O)c1ccncc1)C(=O)Nc1cc(ccc1Cl)[*:1]
C[C@H](OC(=O)c1ccncc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl c1cc(ccn1)[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1cc(ccc1Cl)C(F)(F)F
CCCn1cc(C(=O)N(C)CC[C@@H](O)c2ccccc2)c(C)n1 CCC[*:1] Cc1nn(cc1C(=O)N(C)CC[C@@H](O)c1ccccc1)[*:1]
CCCn1cc(C(=O)N(C)CC[C@@H](O)c2ccccc2)c(C)n1 c1ccc(cc1)[*:1] CCCn1cc(C(=O)N(C)CC[C@@H](O)[*:1])c(C)n1
C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C(=O)NCC[NH3+] [NH3+]CC[*:1] C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C(=O)N[*:1]
CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H]([N+]5(C)CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]12C C[N+]1(CCCCC1)[*:1] CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](CC[C@]4(C)[C@@H]3CC[C@@]12C)[*:1]
CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H]([N+]5(C)CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]12C CC(=O)[*:1] C[C@]12CC[C@@H](C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@H]2[*:1])[N+]1(C)CCCCC1
COC(=O)c1ccc(CN(C)Cn2nnn(-c3cccc(C)c3)c2=S)cc1 Cc1cccc(c1)[*:1] COC(=O)c1ccc(cc1)CN(C)Cn1nnn(c1=S)[*:1]
COC(=O)c1ccc(CN(C)Cn2nnn(-c3cccc(C)c3)c2=S)cc1 COC(=O)[*:1] Cc1cccc(c1)-n1nnn(CN(C)Cc2ccc(cc2)[*:1])c1=S
O=C(c1cn[nH]c1-c1cccc(Br)c1)N1CCN(c2ncccn2)CC1 Brc1cccc(c1)[*:1] O=C(c1cn[nH]c1[*:1])N1CCN(CC1)c1ncccn1
O=C(c1cn[nH]c1-c1cccc(Br)c1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1cn[nH]c1-c1cccc(Br)c1)N1CCN(CC1)[*:1]
CCc1nc(C[S@](=O)[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cs1 CCc1nc(cs1)C[*:1] C[C@H](C(=O)Nc1ccc(cc1)C(C)(C)C)[S@@](=O)[*:1]
CCc1nc(C[S@](=O)[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cs1 CCc1nc(cs1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)C(C)(C)C)[S@@](=O)C[*:1]
CCc1nc(C[S@](=O)[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cs1 CC(C)(C)[*:1] CCc1nc(cs1)C[S@](=O)[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)c1cnc(-c2ccc(OC)cc2)nc1N(C)C CN(C)[*:1] CCOC(=O)c1cnc(nc1[*:1])-c1ccc(cc1)OC
CCOC(=O)c1cnc(-c2ccc(OC)cc2)nc1N(C)C CCOC(=O)[*:1] COc1ccc(cc1)-c1ncc(c(n1)N(C)C)[*:1]
C[C@@H](CCO)SCC(=O)c1cccc(F)c1 C[C@@H](CCO)[*:1] O=C(CS[*:1])c1cccc(F)c1
C[C@@H](CCO)SCC(=O)c1cccc(F)c1 OCC[*:1] C[C@@H](SCC(=O)c1cccc(F)c1)[*:1]
O=C(N/C=C\c1ccc(Br)cc1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(N/C=C\c1ccc(Br)cc1)OC[*:1]
CCC(CC)CN(CC)C(=O)c1cccc(OC)c1F CCC(CC)[*:1] CCN(C[*:1])C(=O)c1cccc(OC)c1F
CCC(CC)CN(CC)C(=O)c1cccc(OC)c1F CCC(CC)C[*:1] CCN(C(=O)c1cccc(OC)c1F)[*:1]
CSc1ncccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CSc1ncccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCN(CC1)[*:1]
CSc1ncccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 CSc1ncccc1[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCN(CC1)c1ccc(F)cc1)[*:1]
CSc1ncccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 c1coc(c1)[*:1] CSc1ncccc1C(=O)NC[C@@H]([NH+]1CCN(CC1)c1ccc(F)cc1)[*:1]
O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1)N(Cc1ccccc1)C[*:1]
O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@H](CN1c1ccc(Cl)cc1)NC(=O)N(Cc1ccccc1)[*:1]
O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 Clc1ccc(cc1)[*:1] O=C(N[C@@H]1CC(=O)N(C1)[*:1])N(Cc1ccccc1)Cc1ccccc1
C[C@@](C(=O)[O-])(N1C(=O)COCC1=O)C(F)(F)F FC(F)(F)[*:1] C[C@@](C(=O)[O-])(N1C(=O)COCC1=O)[*:1]
C[C@@](C(=O)[O-])(N1C(=O)COCC1=O)C(F)(F)F O=C([O-])[*:1] C[C@@](N1C(=O)COCC1=O)(C(F)(F)F)[*:1]
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2cccnc2)n1[*:1])Nc1ccc(cc1)N1CCCC1=O
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(cc1)[*:1]
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 c1cncc(c1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])Nc1ccc(cc1)N1CCCC1=O
CC[C@@](C)([NH3+])C(=O)N[C@@H]1C[C@@H]1C C[C@H]1C[C@H]1[*:1] CC[C@@](C)([NH3+])C(=O)N[*:1]
CC(=O)C(C)(C)CN(C)CC[NH+]1CCCC1 CC(=O)[*:1] CN(CC[NH+]1CCCC1)CC(C)(C)[*:1]
CCOc1c(Cl)cccc1NC(=O)NCc1nnc2ccccn12 CCO[*:1] O=C(NCc1nnc2ccccn12)Nc1cccc(Cl)c1[*:1]
CCO[C@H]1C[C@@H]([O-])C12CCN(C(=O)c1ccc(CC)o1)CC2 CCO[*:1] CCc1ccc(o1)C(=O)N1CCC2(CC1)[C@H](C[C@H]2[O-])[*:1]
CCO[C@H]1C[C@@H]([O-])C12CCN(C(=O)c1ccc(CC)o1)CC2 CCc1ccc(o1)[*:1] CCO[C@H]1C[C@@H]([O-])C12CCN(CC2)C(=O)[*:1]
O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl c1coc(c1)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1cc(ccc1Cl)S(=O)(=O)N1CCCC1
O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl O=S(=O)(N1CCCC1)[*:1] O=C(CN1CCN(CC1)C(=O)c1ccco1)Nc1cc(ccc1Cl)[*:1]
CC(C)CCC[C@H](C)[NH2+]C1CCCC1 CC(C)[*:1] C[C@@H](CCC[*:1])[NH2+]C1CCCC1
CC(C)CCC[C@H](C)[NH2+]C1CCCC1 CC(C)C[*:1] C[C@@H](CC[*:1])[NH2+]C1CCCC1
CCc1ccccc1NC(=O)Cn1ncc2c([nH]c3ccc(C)cc32)c1=O CCc1ccccc1[*:1] Cc1ccc2[nH]c3c(=O)n(CC(=O)N[*:1])ncc3c2c1
O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1ccco1 O=C(N[*:1])c1ccco1 c1cc(cc(c1)[*:1])OCc1cn2ccccc2n1
O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)OCc1cn2ccccc2n1)[*:1]
COC(=O)C[C@H](NC(=O)c1csc(-c2cccs2)n1)C1CC1 COC(=O)C[*:1] O=C(N[C@H](C1CC1)[*:1])c1csc(n1)-c1cccs1
COC(=O)C[C@H](NC(=O)c1csc(-c2cccs2)n1)C1CC1 c1csc(c1)[*:1] COC(=O)C[C@H](NC(=O)c1csc(n1)[*:1])C1CC1
COC(=O)C[C@H](NC(=O)c1csc(-c2cccs2)n1)C1CC1 C1CC1[*:1] COC(=O)C[C@H](NC(=O)c1csc(n1)-c1cccs1)[*:1]
COC(=O)C[C@H](NC(=O)c1csc(-c2cccs2)n1)C1CC1 COC(=O)[*:1] O=C(N[C@@H](C[*:1])C1CC1)c1csc(n1)-c1cccs1
CN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)S(=O)(=O)NC1CC1
CN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 O=S(=O)(NC1CC1)[*:1] CN(CCc1ccccc1)C(=O)c1ccc(cc1)[*:1]
CN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 C1CC1[*:1] CN(CCc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 c1ccc(cc1)C[*:1] CN(C[*:1])C(=O)c1ccc(cc1)S(=O)(=O)NC1CC1
CN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 c1ccc(cc1)CC[*:1] CN(C(=O)c1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
CCc1nc([C@H](C)NC(=O)c2nc(C3CC3)n3ccccc23)cs1 C1CC1[*:1] CCc1nc(cs1)[C@H](C)NC(=O)c1nc(n2ccccc12)[*:1]
CCc1nc([C@H](C)NC(=O)c2nc(C3CC3)n3ccccc23)cs1 CCc1nc(cs1)[*:1] C[C@H](NC(=O)c1nc(C2CC2)n2ccccc12)[*:1]
Cc1ccccc1CCNC(=O)C1CCOCC1 C1CC(CCO1)[*:1] Cc1ccccc1CCNC(=O)[*:1]
CC1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] CC1CCN(CC1)C(=O)[*:1]
O=S(=O)(/N=C(\[O-])CC1CCCC1)c1ccc2c(c1)CCC2 C1CCC(C1)[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1ccc2CCCc2c1
O=S(=O)(/N=C(\[O-])CC1CCCC1)c1ccc2c(c1)CCC2 C1CCC(C1)C[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1ccc2CCCc2c1
CN(C(=O)COc1ccccc1[N+](=O)[O-])C1(C#N)CCCCC1 O=[N+]([O-])[*:1] CN(C(=O)COc1ccccc1[*:1])C1(C#N)CCCCC1
CS(=O)(=O)NC1CCN(C(=O)C=C2CCSCC2)CC1 CS(=O)(=O)N[*:1] O=C(C=C1CCSCC1)N1CCC(CC1)[*:1]
Cc1ccccc1[C@H]1C[C@H]1C(=O)NC[C@]1(O)CCCc2ccccc21 Cc1ccccc1[*:1] O=C(NC[C@]1(O)CCCc2ccccc21)[C@@H]1C[C@@H]1[*:1]
CCc1nc(CCNS(=O)(=O)c2cc(C)cc(F)c2)cs1 CCc1nc(cs1)[*:1] Cc1cc(F)cc(c1)S(=O)(=O)NCC[*:1]
Cc1cc(N[C@@H](C(N)=O)c2ccccc2)ccc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1cc(ccc1[*:1])N[C@@H](C(N)=O)c1ccccc1
Cc1cc(N[C@@H](C(N)=O)c2ccccc2)ccc1C(=O)NC(C)C NC(=O)[*:1] Cc1cc(ccc1C(=O)NC(C)C)N[C@@H](c1ccccc1)[*:1]
Cc1cc(N[C@@H](C(N)=O)c2ccccc2)ccc1C(=O)NC(C)C CC(C)[*:1] Cc1cc(ccc1C(=O)N[*:1])N[C@@H](C(N)=O)c1ccccc1
Cc1cc(N[C@@H](C(N)=O)c2ccccc2)ccc1C(=O)NC(C)C c1ccc(cc1)[*:1] Cc1cc(ccc1C(=O)NC(C)C)N[C@@H](C(N)=O)[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)Nc2cccc(c2)-c2[nH+]ccn2C)c(C)c1[*:1]
Cc1ccc(NC(=O)N(C)Cc2ccncc2)cc1S(C)(=O)=O c1cc(ccn1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N(C)C[*:1]
Cc1ccc(NC(=O)N(C)Cc2ccncc2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N(C)Cc1ccncc1
Cc1ccc(NC(=O)N(C)Cc2ccncc2)cc1S(C)(=O)=O c1cc(ccn1)C[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N(C)[*:1]
CCCn1nnnc1COc1ccc(OCC)cc1 CCO[*:1] CCCn1nnnc1COc1ccc(cc1)[*:1]
CCCn1nnnc1COc1ccc(OCC)cc1 CCC[*:1] CCOc1ccc(cc1)OCc1nnnn1[*:1]
Cc1csc(/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)/C(C#N)=C/c1ccccc1OCC(=O)N[*:1]
Cc1csc(/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2)n1 O=C(Nc1ccccc1)[*:1] Cc1csc(n1)/C(C#N)=C/c1ccccc1OC[*:1]
Cc1csc(/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2)n1 Cc1csc(n1)[*:1] N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 O=C(N[*:1])c1ccco1 C[C@H]1CCC[C@H](C)C1NC(=O)Cc1csc(n1)[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 c1coc(c1)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)Cc1csc(n1)NC(=O)[*:1]
NC(=O)CN(C1CC[NH2+]CC1)[C@@H]1CCO[C@]2(CCSC2)C1 NC(=O)[*:1] C1CC(CC[NH2+]1)N(C[*:1])[C@@H]1CCO[C@]2(CCSC2)C1
NC(=O)CN(C1CC[NH2+]CC1)[C@@H]1CCO[C@]2(CCSC2)C1 NC(=O)C[*:1] C1CC(CC[NH2+]1)N([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
Cc1cc(C)cc(OC(=O)CCc2nc(C)no2)c1 Cc1noc(n1)[*:1] Cc1cc(C)cc(c1)OC(=O)CC[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Nc2ncnn2C)CC1 Cn1ncnc1[*:1] Cc1cccc(C)c1NC(=O)CN1CCN(CC1)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Nc2ncnn2C)CC1 Cc1cccc(C)c1[*:1] Cn1ncnc1NC(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1ccc(Cl)cc1N1CCN(CCNc2nc3ccccc3c3nc(-c4ccncc4)nn23)CC1 c1cc(ccn1)[*:1] Cc1ccc(Cl)cc1N1CCN(CCNc2nc3ccccc3c3nc(nn23)[*:1])CC1
Cc1ccc(Cl)cc1N1CCN(CCNc2nc3ccccc3c3nc(-c4ccncc4)nn23)CC1 Cc1ccc(Cl)cc1[*:1] c1ccc2c(c1)nc(NCCN1CCN(CC1)[*:1])n1nc(nc21)-c1ccncc1
Cc1cc(=O)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1-c1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Cc1cc(=O)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1-c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1cc(=O)c(nn1-c1ccccc1[*:1])C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Cc1cc(=O)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1-c1ccccc1C(F)(F)F CC(C)(C)[*:1] Cc1cc(=O)c(nn1-c1ccccc1C(F)(F)F)C(=O)N1CCN(CC1)C(=O)O[*:1]
COCCN1C(=O)N[C@]2(CCOc3ccccc32)C1=O COC[*:1] O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[*:1]
COCCN1C(=O)N[C@]2(CCOc3ccccc32)C1=O COCC[*:1] O=C1N[C@]2(CCOc3ccccc32)C(=O)N1[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(CO)c1 OCc1cccc(c1)[*:1] Cc1onc(c1C(=O)N[*:1])-c1c(F)cccc1Cl
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(CO)c1 Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)Nc1cccc(c1)CO)[*:1]
CN(CC[NH3+])Cc1ccc(Br)nc1 [NH3+]CC[*:1] CN(Cc1ccc(Br)nc1)[*:1]
C[C@H](CCO)CNc1cc(Cl)c(Cl)cc1N OCC[*:1] C[C@H](CNc1cc(Cl)c(Cl)cc1N)[*:1]
C[C@H](CCO)CNc1cc(Cl)c(Cl)cc1N C[C@H](CCO)[*:1] Nc1cc(Cl)c(Cl)cc1NC[*:1]
CCn1nc(C)c2[nH]c(=S)n(CCNC(C)=O)c21 CC(=O)NC[*:1] CCn1nc(C)c2[nH]c(=S)n(C[*:1])c21
CCn1nc(C)c2[nH]c(=S)n(CCNC(C)=O)c21 CC(=O)NCC[*:1] CCn1nc(C)c2[nH]c(=S)n(c21)[*:1]
CCn1nc(C)c2[nH]c(=S)n(CCNC(C)=O)c21 CC(=O)N[*:1] CCn1nc(C)c2[nH]c(=S)n(CC[*:1])c21
CNC(=O)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 CNC(=O)NC(=O)C[*:1] O=[N+]([O-])c1ccc(c2ccncc12)N1CCN(CC1)[*:1]
CNC(=O)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 CNC(=O)NC(=O)[*:1] O=[N+]([O-])c1ccc(c2ccncc12)N1CCN(CC1)C[*:1]
CNC(=O)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 O=[N+]([O-])[*:1] CNC(=O)NC(=O)CN1CCN(CC1)c1ccc(c2cnccc12)[*:1]
O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H]2CCCC[C@@H]21 O=S(=O)(N1CCOCC1)[*:1] O=C(c1ccc(F)c(c1)[*:1])N1CCC[C@@H]2CCCC[C@@H]21
Cc1ccc2[nH]c(CSCC(=O)Nc3ccc(F)cc3)cc(=O)c2c1 Fc1ccc(cc1)[*:1] Cc1ccc2[nH]c(cc(=O)c2c1)CSCC(=O)N[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F NC(=O)[*:1] CC[C@H](C)NC(=O)C(=O)Nc1ccc(cc1F)[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F CC[C@H](C)[*:1] NC(=O)c1ccc(NC(=O)C(=O)N[*:1])c(F)c1
CCn1nc(C)c2c(C(F)F)cc(C(F)F)nc21 FC(F)[*:1] CCn1nc(C)c2c(cc(nc21)C(F)F)[*:1]
CCn1nc(C)c2c(C(F)F)cc(C(F)F)nc21 FC(F)[*:1] CCn1nc(C)c2c(cc(nc21)[*:1])C(F)F
O=C(c1ccc(CSc2ncn[nH]2)cc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)CSc1ncn[nH]1)N1CCC(CC1)C[*:1]
O=C(c1ccc(CSc2ncn[nH]2)cc1)N1CCC(Cc2ccccc2)CC1 c1n[nH]c(n1)SC[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)Cc1ccccc1
O=C(c1ccc(CSc2ncn[nH]2)cc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(cc1)CSc1ncn[nH]1)N1CCC(CC1)[*:1]
O=C(c1ccc(CSc2ncn[nH]2)cc1)N1CCC(Cc2ccccc2)CC1 c1n[nH]c(n1)S[*:1] O=C(c1ccc(cc1)C[*:1])N1CCC(CC1)Cc1ccccc1
O=C(c1ccc(CSc2ncn[nH]2)cc1)N1CCC(Cc2ccccc2)CC1 c1n[nH]c(n1)[*:1] O=C(c1ccc(cc1)CS[*:1])N1CCC(CC1)Cc1ccccc1
CCOc1cccnc1C(=O)OCc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] CCOc1cccnc1C(=O)OCc1cccc(c1)[*:1]
CCOc1cccnc1C(=O)OCc1cccc(-n2cccn2)c1 CCO[*:1] O=C(OCc1cccc(c1)-n1cccn1)c1ncccc1[*:1]
COC[C@H]1CCC[C@H]1Nc1nc2c(s1)c(C)nn2C COC[*:1] Cc1nn(C)c2nc(N[C@@H]3CCC[C@@H]3[*:1])sc12
COc1cccc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)N1CCN(CC1)c1ccccc1[*:1]
COc1ccc(F)c(NC(=O)C[NH2+]C(C)C)c1 CC(C)[*:1] COc1ccc(F)c(c1)NC(=O)C[NH2+][*:1]
Cc1cccc([C@@H](C)[NH2+]Cc2ccon2)c1 c1cc(no1)[*:1] Cc1cccc(c1)[C@@H](C)[NH2+]C[*:1]
COc1sc(CN(C)[C@H](CCO)c2ccccc2)cc1Br OCC[*:1] COc1sc(cc1Br)CN(C)[C@H](c1ccccc1)[*:1]
COc1sc(CN(C)[C@H](CCO)c2ccccc2)cc1Br c1ccc(cc1)[*:1] COc1sc(cc1Br)CN(C)[C@H](CCO)[*:1]
CC[C@H](NC(=O)c1sc(C(C)C)nc1C)c1ccnn1C CC(C)[*:1] CC[C@H](NC(=O)c1sc(nc1C)[*:1])c1ccnn1C
CC[C@H](NC(=O)c1sc(C(C)C)nc1C)c1ccnn1C Cn1nccc1[*:1] CC[C@H](NC(=O)c1sc(nc1C)C(C)C)[*:1]
O=[N+]([O-])c1ccc(N2CCOCC2)cc1N1CC[NH+](CCO)CC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccc(cc1N1CC[NH+](CCO)CC1)[*:1]
O=[N+]([O-])c1ccc(N2CCOCC2)cc1N1CC[NH+](CCO)CC1 O=[N+]([O-])[*:1] OCC[NH+]1CCN(CC1)c1cc(ccc1[*:1])N1CCOCC1
COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccccc1Cl
COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2C(=O)N2CCCCC2)c1 COc1ccc(OC)c(c1)[*:1] O=C(c1ccccc1Cl)N1C[C@H](C(=O)N2CCCCC2)[C@@H](C1)[*:1]
COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2C(=O)N2CCCCC2)c1 Clc1ccccc1[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@@H]1C(=O)N1CCCCC1)C(=O)[*:1]
CCNC(=O)CCOc1ccc(C[C@@H](C)[NH3+])nc1 CCNC(=O)[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)OCC[*:1]
CCNC(=O)CCOc1ccc(C[C@@H](C)[NH3+])nc1 CCNC(=O)C[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)OC[*:1]
CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCC(CC[NH+](C)C)CC1 CN(C)S(=O)(=O)[*:1] C[NH+](C)CCC1CCN(CC1)C(=O)NCc1ccccc1[*:1]
CCn1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c(C(=O)NC2CCCCC2)n1 O=C(NC1CCCCC1)[*:1] CCn1cc(NC(=O)c2cc3c(nn(C)c3s2)C(F)(F)F)c(n1)[*:1]
CCn1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c(C(=O)NC2CCCCC2)n1 C1CCC(CC1)[*:1] CCn1cc(NC(=O)c2cc3c(nn(C)c3s2)C(F)(F)F)c(n1)C(=O)N[*:1]
CCn1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c(C(=O)NC2CCCCC2)n1 FC(F)(F)[*:1] CCn1cc(NC(=O)c2cc3c(nn(C)c3s2)[*:1])c(n1)C(=O)NC1CCCCC1
COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)Nc2ccc(Cl)cc2)cc1 O=C(N[*:1])c1ccco1 COc1ccc(C=C(C(=O)Nc2ccc(Cl)cc2)[*:1])cc1
COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)Nc2ccc(Cl)cc2)cc1 c1coc(c1)[*:1] COc1ccc(/C=C(\NC(=O)[*:1])C(=O)Nc2ccc(Cl)cc2)cc1
COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)N[*:1])cc1
COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)Nc2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)C(=C[*:1])NC(=O)c1ccco1
Cc1cc(NC(=O)NCCNc2ccc3ccccc3n2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(NCCNc1ccc2ccccc2n1)N[*:1]
N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CCN1CCN(CC1)S(=O)(=O)[*:1])Nc1ccccc1[N+](=O)[O-]
N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 O=[N+]([O-])[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2[*:1])CC1
N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 O=[N+]([O-])c1ccccc1[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCN(CCC(=O)N[*:1])CC1
NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1 NC(=O)[*:1] O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H](C1)[*:1]
O=C(CSc1nnc2n1CCN2c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C(CSc1nnc2N(CCn12)[*:1])Nc1ccc(cc1)OC(F)(F)F
O=C(CSc1nnc2n1CCN2c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(CSc1nnc2N(CCn12)c1ccccc1)Nc1ccc(cc1)[*:1]
O=C(CSc1nnc2n1CCN2c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CSc1nnc2N(CCn12)c1ccccc1)Nc1ccc(cc1)O[*:1]
C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)C(=O)[O-] O=C([O-])[*:1] C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)[*:1]
CC(C)[C@H](NC(=O)c1nc(-c2cccs2)nc2c1OCO2)C(=O)N1CCCCC1 c1csc(c1)[*:1] CC(C)[C@H](NC(=O)c1nc(nc2OCOc21)[*:1])C(=O)N1CCCCC1
CC(C)[C@H](NC(=O)c1nc(-c2cccs2)nc2c1OCO2)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CC(C)[C@H](NC(=O)c1nc(nc2OCOc21)-c1cccs1)[*:1]
CC(C)[C@H](NC(=O)c1nc(-c2cccs2)nc2c1OCO2)C(=O)N1CCCCC1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCCCC1)[*:1])c1nc(nc2OCOc21)-c1cccs1
C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 O=[N+]([O-])[*:1] C[C@@H]1CN(CC[NH2+]1)Cc1cc(ccc1OC(F)F)[*:1]
C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 FC(F)O[*:1] C[C@@H]1CN(CC[NH2+]1)Cc1cc(ccc1[*:1])[N+](=O)[O-]
C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]1 FC(F)[*:1] C[C@@H]1CN(CC[NH2+]1)Cc1cc(ccc1O[*:1])[N+](=O)[O-]
CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@H]1C c1csc(c1)[*:1] CCN(C[*:1])C(=O)N[C@@H]1C[C@H]1C
CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@H]1C C[C@@H]1C[C@H]1[*:1] CCN(Cc1cccs1)C(=O)N[*:1]
CC(C)C(=O)N(C)CCOc1ccccc1F CC(C)[*:1] CN(CCOc1ccccc1F)C(=O)[*:1]
C[C@@H](C#N)CNC(=O)C1C(C)(C)C1(C)C C[C@@H](C#N)C[*:1] CC1(C)C(C(=O)N[*:1])C1(C)C
C[C@@H](C#N)CNC(=O)C1C(C)(C)C1(C)C C[C@@H](C#N)[*:1] CC1(C)C(C(=O)NC[*:1])C1(C)C
C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](Nc1ccc(cn1)S(=O)(=O)N1CCOCC1)[*:1]
O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=S(=O)(c1ccc(cc1)[N-]S(=O)(=O)[*:1])N1CCCCC1
CCNC(=O)Nc1cccc(NC(=O)C/C=C/c2ccc(C)cc2)c1 CCNC(=O)N[*:1] Cc1ccc(/C=C/CC(=O)Nc2cccc(c2)[*:1])cc1
CCNC(=O)Nc1cccc(NC(=O)C/C=C/c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CCNC(=O)Nc1cccc(c1)NC(=O)CC=C[*:1]
COC(=O)[C@@H](Br)Cc1ccccc1F COC(=O)[*:1] Fc1ccccc1C[C@H](Br)[*:1]
COc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2F)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)NC(=O)c1cc(ccc1F)S(=O)(=O)N[*:1]
COc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2F)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)NC(=O)c1cc(ccc1F)S(=O)(=O)NC[*:1]
COc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2F)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1cc(ccc1F)S(=O)(=O)NCc1ccccc1Cl
CCC(CC)(C(=O)[O-])n1nnnc1C(C)C CC(C)[*:1] CCC(CC)(C(=O)[O-])n1nnnc1[*:1]
CCC(CC)(C(=O)[O-])n1nnnc1C(C)C O=C([O-])[*:1] CCC(CC)(n1nnnc1C(C)C)[*:1]
CC(C)(C)n1cc(NC(=O)NCCC(=O)NC2CCCC2)cn1 C1CCC(C1)[*:1] CC(C)(C)n1cc(cn1)NC(=O)NCCC(=O)N[*:1]
CC(C)(C)n1cc(NC(=O)NCCC(=O)NC2CCCC2)cn1 CC(C)(C)[*:1] O=C(CCNC(=O)Nc1cnn(c1)[*:1])NC1CCCC1
O=C(/C=C/c1ccc(F)cc1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccc(F)cc1)O[*:1]
O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1CCCN(C1)C(=O)N[*:1]
O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 O=C([O-])[*:1] O=C(Nc1ccccc1)N1CCC[C@H](C1)[*:1]
Cc1cc(NC(=O)c2ccc(Cl)cc2)n(CCC#N)n1 N#CCC[*:1] Cc1cc(NC(=O)c2ccc(Cl)cc2)n(n1)[*:1]
Cc1cc(NC(=O)c2ccc(Cl)cc2)n(CCC#N)n1 N#CC[*:1] Cc1cc(NC(=O)c2ccc(Cl)cc2)n(C[*:1])n1
COc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC(C)=O O=[N+]([O-])c1cccc(c1)[*:1] COc1cc(/C=C2\N=C(OC2=O)[*:1])cc(OC)c1OC(C)=O
COc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC(C)=O CC(=O)O[*:1] COc1cc(/C=C2\N=C(OC2=O)c2cccc(c2)[N+](=O)[O-])cc(OC)c1[*:1]
COc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC(C)=O O=[N+]([O-])[*:1] COc1cc(/C=C2\N=C(OC2=O)c2cccc(c2)[*:1])cc(OC)c1OC(C)=O
CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CC[C@H](C)C[C@H]2C)cc1 CC(=O)N[*:1] C[C@H]1CCN(C(=O)[C@@H](C)Sc2ccc(cc2)[*:1])[C@H](C)C1
N#CCSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1 N#CCS[*:1] O=c1c2cc(ccc2nc(n1CCc1ccccc1)[*:1])N1CCOCC1
N#CCSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1 c1ccc(cc1)C[*:1] N#CCSc1nc2ccc(cc2c(=O)n1C[*:1])N1CCOCC1
N#CCSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1 N#CC[*:1] O=c1c2cc(ccc2nc(S[*:1])n1CCc1ccccc1)N1CCOCC1
N#CCSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1 c1ccc(cc1)CC[*:1] N#CCSc1nc2ccc(cc2c(=O)n1[*:1])N1CCOCC1
N#CCSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1 C1CN(CCO1)[*:1] N#CCSc1nc2ccc(cc2c(=O)n1CCc1ccccc1)[*:1]
N#CCSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1 c1ccc(cc1)[*:1] N#CCSc1nc2ccc(cc2c(=O)n1CC[*:1])N1CCOCC1
Cc1ccc2nc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)oc2c1 Fc1ccc(cc1)[*:1] Cc1ccc2nc(oc2c1)SCC(=O)N1CCN(CC1)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1cccs1)N(C)C c1csc(c1)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H](N(C)C)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1cccs1)N(C)C CN(C)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1cccs1)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1cccs1)N(C)C c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)NC[C@@H](c1cccs1)N(C)C
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1cccs1)N(C)C c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)NC[C@@H](c1cccs1)N(C)C)[*:1]
CN(CC1CCC1)C(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])[*:1] CN(CC1CCC1)C(=O)N(C[*:1])C(C)(C)C
CN(CC1CCC1)C(=O)N(CC(=O)[O-])C(C)(C)C C1CC(C1)C[*:1] CN(C(=O)N(CC(=O)[O-])C(C)(C)C)[*:1]
CN(CC1CCC1)C(=O)N(CC(=O)[O-])C(C)(C)C C1CC(C1)[*:1] CN(C[*:1])C(=O)N(CC(=O)[O-])C(C)(C)C
CN(CC1CCC1)C(=O)N(CC(=O)[O-])C(C)(C)C CC(C)(C)[*:1] CN(CC1CCC1)C(=O)N(CC(=O)[O-])[*:1]
CN(CC1CCC1)C(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])C[*:1] CN(CC1CCC1)C(=O)N(C(C)(C)C)[*:1]
CCn1c(S[C@H](C)C(=O)NCC2CCCCC2)nnc1-c1cccs1 C1CCC(CC1)C[*:1] CCn1c(nnc1-c1cccs1)S[C@H](C)C(=O)N[*:1]
CCn1c(S[C@H](C)C(=O)NCC2CCCCC2)nnc1-c1cccs1 C1CCC(CC1)[*:1] CCn1c(nnc1-c1cccs1)S[C@H](C)C(=O)NC[*:1]
CCn1c(S[C@H](C)C(=O)NCC2CCCCC2)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)NCC1CCCCC1
COCCN1CCCc2ccc(N)cc21 COC[*:1] Nc1ccc2CCCN(C[*:1])c2c1
COCCN1CCCc2ccc(N)cc21 COCC[*:1] Nc1ccc2CCCN(c2c1)[*:1]
Cc1cc(C#N)ccc1S(=O)(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 Cc1cc(C#N)ccc1S(=O)(=O)N(C)[*:1]
Cc1cc(C#N)ccc1S(=O)(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1cc(C#N)ccc1S(=O)(=O)N(C)C[*:1]
CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C)S/C1=N\c1ccccc1 c1ccc(cc1)[*:1] CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C)SC1=N[*:1]
CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C)S/C1=N\c1ccccc1 Cc1ccccc1[*:1] CCN1C(=O)[C@H](CC(=O)N[*:1])S/C1=N\c1ccccc1
CC[C@@H]1CN(Cc2cn(C)nc2-c2ccncc2)CCN1CC(F)F FC(F)[*:1] CC[C@@H]1CN(CCN1C[*:1])Cc1cn(C)nc1-c1ccncc1
CC[C@@H]1CN(Cc2cn(C)nc2-c2ccncc2)CCN1CC(F)F FC(F)C[*:1] CC[C@@H]1CN(CCN1[*:1])Cc1cn(C)nc1-c1ccncc1
CC[C@@H]1CN(Cc2cn(C)nc2-c2ccncc2)CCN1CC(F)F c1cc(ccn1)[*:1] CC[C@@H]1CN(CCN1CC(F)F)Cc1cn(C)nc1[*:1]
CCOc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)-c1ccc(s1)S(=O)(=O)N1CCOCC1
CCOc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1 O=S(=O)(N1CCOCC1)[*:1] CCOc1ccc(cc1)NC(=O)c1cccc(c1)-c1ccc(s1)[*:1]
CCOc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCOCC4)s3)c2)cc1 CCOc1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)-c1ccc(s1)S(=O)(=O)N1CCOCC1
CN(C)C(=O)C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 CN(C)C(=O)[*:1] N#Cc1cccc(c1)NC(=O)N[C@@H](C[*:1])c1ccccc1
CN(C)C(=O)C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 N#Cc1cccc(c1)[*:1] CN(C)C(=O)C[C@H](NC(=O)N[*:1])c1ccccc1
CN(C)C(=O)C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 CN(C)C(=O)C[*:1] N#Cc1cccc(c1)NC(=O)N[C@H](c1ccccc1)[*:1]
CN(C)C(=O)C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)C[C@H](NC(=O)Nc1cccc(C#N)c1)[*:1]
O=C(Nc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)-c1noc(/C=C/c2ccccc2)n1)[*:1]
O=C(Nc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1noc(C=C[*:1])n1)c1ccco1
O=C(Nc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1)c1ccco1 C(=C[*:1])c1ccccc1 O=C(Nc1cccc(c1)-c1noc(n1)[*:1])c1ccco1
O=C(Nc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1)c1ccco1 O=C(N[*:1])c1ccco1 C(=C/c1nc(no1)-c1cccc(c1)[*:1])\c1ccccc1
[O-]c1nc(N2CCOCC2)nc2nccc(-c3ccc(Cl)cc3)c12 Clc1ccc(cc1)[*:1] [O-]c1nc(nc2nccc(c12)[*:1])N1CCOCC1
[O-]c1nc(N2CCOCC2)nc2nccc(-c3ccc(Cl)cc3)c12 C1CN(CCO1)[*:1] [O-]c1nc(nc2nccc(-c3ccc(Cl)cc3)c12)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 CCN(CC)C(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCc1c(C(=O)Nc2cnc3ccccc3c2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)Nc1cnc2ccccc2c1
COC(=O)[C@H](C(=O)Nc1cccc(Br)c1)C1CCCC1 COC(=O)[*:1] O=C(Nc1cccc(Br)c1)[C@H](C1CCCC1)[*:1]
COC(=O)[C@H](C(=O)Nc1cccc(Br)c1)C1CCCC1 C1CCC(C1)[*:1] COC(=O)[C@H](C(=O)Nc1cccc(Br)c1)[*:1]
Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 Cc1nn(C)cc1[*:1] CN(C[*:1])C(=O)c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)c1ccco1
Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 c1coc(c1)[*:1] Cc1nn(C)cc1CN(C)C(=O)c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 FC(F)(F)[*:1] Cc1nn(C)cc1CN(C)C(=O)c1cc2N[C@H](C[C@H](n2n1)[*:1])c1ccco1
Cc1nn(C)cc1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 Cc1nn(C)cc1C[*:1] CN(C(=O)c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)c1ccco1)[*:1]
Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 Cc1noc(C)c1C[*:1] O=C(Cc1ccc(cc1)O[*:1])Nc1ccc(c(Cl)c1)N1CCCC1=O
Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 O=C1CCCN1[*:1] Cc1noc(C)c1COc1ccc(cc1)CC(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 Cc1noc(C)c1CO[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccc(c(Cl)c1)N1CCCC1=O
Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 Cc1noc(C)c1[*:1] O=C(Cc1ccc(cc1)OC[*:1])Nc1ccc(c(Cl)c1)N1CCCC1=O
CC(C)(C)CCN1CC[NH2+]CC1=O CC(C)(C)[*:1] O=C1C[NH2+]CCN1CC[*:1]
O=C(c1ccco1)N(C(=O)c1ccco1)c1ccc(Cl)cc1F c1coc(c1)[*:1] O=C(c1ccco1)N(C(=O)[*:1])c1ccc(Cl)cc1F
CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccccc3F)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 Fc1ccccc1[*:1] CC1(C)O[C@@H]2O[C@@H](C(=O)N[*:1])[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1
O=C(NCCOCc1ccccc1)c1cc(F)c(F)cc1Cl c1ccc(cc1)[*:1] O=C(NCCOC[*:1])c1cc(F)c(F)cc1Cl
O=C(NCCOCc1ccccc1)c1cc(F)c(F)cc1Cl c1ccc(cc1)C[*:1] O=C(NCCO[*:1])c1cc(F)c(F)cc1Cl
O=C(Nc1ccccc1Br)c1nnn(-c2ccccc2)c1-c1ccccn1 Brc1ccccc1[*:1] O=C(N[*:1])c1nnn(-c2ccccc2)c1-c1ccccn1
O=C(Nc1ccccc1Br)c1nnn(-c2ccccc2)c1-c1ccccn1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1Br)c1nnn(c1-c1ccccn1)[*:1]
O=C(Nc1ccccc1Br)c1nnn(-c2ccccc2)c1-c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1ccccc1Br)c1nnn(-c2ccccc2)c1[*:1]
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ncc(C[*:1])s1
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 Fc1ccc(cc1)C[*:1] Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ncc(s1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
C[C@H]1C[C@@H](C)CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 CN(C)S(=O)(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1cc(ccc1Cl)[*:1]
C/C(CC(=O)NC1CCCCCC1)=N\NC(=O)c1ccc(C)c(Cl)c1 Cc1ccc(cc1Cl)[*:1] C/C(CC(=O)NC1CCCCCC1)=N\NC(=O)[*:1]
C/C(CC(=O)NC1CCCCCC1)=N\NC(=O)c1ccc(C)c(Cl)c1 C1CCCC(CC1)[*:1] C/C(CC(=O)N[*:1])=N\NC(=O)c1ccc(C)c(Cl)c1
CCOc1cccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)c1 CCOc1cccc(c1)[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCO)[C@@H]3[*:1]
CCOc1cccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)c1 CCO[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCO)[C@@H]3c1cccc(c1)[*:1]
CCOc1cccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)c1 OCC[*:1] CCOc1cccc(c1)[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1C[*:1]
CCOc1cccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)c1 OCCC[*:1] CCOc1cccc(c1)[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1[*:1]
CCC(C)(C)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] CCC(C)(C)NC(=O)N[C@@H](C[*:1])c1ccc(F)cc1
CCC(C)(C)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] CCC(C)(C)NC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CCC(C)(C)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCC(C)(C)NC(=O)N[C@@H](CC(F)(F)F)[*:1]
CCC(C)(C)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 CCC(C)(C)[*:1] O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[*:1]
CSc1ccc(Cl)c(C(=O)N[C@@H](C)CCCO)c1 C[C@@H](CCCO)[*:1] CSc1ccc(Cl)c(c1)C(=O)N[*:1]
CSc1ccc(Cl)c(C(=O)N[C@@H](C)CCCO)c1 OCC[*:1] CSc1ccc(Cl)c(c1)C(=O)N[C@@H](C)C[*:1]
CSc1ccc(Cl)c(C(=O)N[C@@H](C)CCCO)c1 OCCC[*:1] CSc1ccc(Cl)c(c1)C(=O)N[C@@H](C)[*:1]
Cc1csc(=O)n1CC(=O)N(Cc1ccco1)Cc1cccs1 c1coc(c1)[*:1] Cc1csc(=O)n1CC(=O)N(Cc1cccs1)C[*:1]
Cc1csc(=O)n1CC(=O)N(Cc1ccco1)Cc1cccs1 c1coc(c1)C[*:1] Cc1csc(=O)n1CC(=O)N(Cc1cccs1)[*:1]
Cc1csc(=O)n1CC(=O)N(Cc1ccco1)Cc1cccs1 c1csc(c1)C[*:1] Cc1csc(=O)n1CC(=O)N(Cc1ccco1)[*:1]
Cc1csc(=O)n1CC(=O)N(Cc1ccco1)Cc1cccs1 Cc1csc(=O)n1[*:1] O=C(C[*:1])N(Cc1ccco1)Cc1cccs1
Cc1csc(=O)n1CC(=O)N(Cc1ccco1)Cc1cccs1 c1csc(c1)[*:1] Cc1csc(=O)n1CC(=O)N(Cc1ccco1)C[*:1]
CCOc1ccc([C@H]2C[C@H](c3ccc(OC(F)F)cc3)n3ncnc3N2)cc1Cl CCO[*:1] FC(F)Oc1ccc(cc1)[C@H]1C[C@@H](Nc2ncnn21)c1ccc(c(Cl)c1)[*:1]
CCOc1ccc([C@H]2C[C@H](c3ccc(OC(F)F)cc3)n3ncnc3N2)cc1Cl FC(F)[*:1] CCOc1ccc(cc1Cl)[C@H]1C[C@H](c2ccc(cc2)O[*:1])n2ncnc2N1
CCOc1ccc([C@H]2C[C@H](c3ccc(OC(F)F)cc3)n3ncnc3N2)cc1Cl FC(F)O[*:1] CCOc1ccc(cc1Cl)[C@H]1C[C@H](c2ccc(cc2)[*:1])n2ncnc2N1
CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)NCCc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)NCCc1ccc(cc1)[*:1]
CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)NCCc1ccc(S(C)(=O)=O)cc1 CC(C)[*:1] C[C@H]1CC[C@H](N(CC1)C(=O)NCCc1ccc(cc1)S(C)(=O)=O)[*:1]
CC(C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 CC(C)[*:1] C[C@H]1C[C@@H](CCN1C)[NH2+][*:1]
CCOC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1ccc(o1)[*:1]
O=C(C[C@H](O)c1ccccc1)N[C@@H](CCO)C1CC1 C1CC1[*:1] O=C(C[C@H](O)c1ccccc1)N[C@@H](CCO)[*:1]
O=C(C[C@H](O)c1ccccc1)N[C@@H](CCO)C1CC1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N[C@@H](CCO)C1CC1
O=C(C[C@H](O)c1ccccc1)N[C@@H](CCO)C1CC1 OCC[*:1] O=C(C[C@H](O)c1ccccc1)N[C@@H](C1CC1)[*:1]
CCC[NH2+]C/C(=C\c1cc(Cl)cs1)CC CCC[*:1] CC/C(=C/c1cc(Cl)cs1)C[NH2+][*:1]
COc1ccc(OC)c(CN2CC[NH+](Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)c1 COc1ccc(OC)c(c1)[*:1] O=c1[nH]c(C[NH+]2CCN(CC2)C[*:1])nc2ccc(Cl)cc12
CC(C)N(C(=S)Oc1ccc(N(C)C(=O)c2ccccc2)cc1)C(C)C CC(C)[*:1] CC(C)N(C(=S)Oc1ccc(cc1)N(C)C(=O)c1ccccc1)[*:1]
CC(C)N(C(=S)Oc1ccc(N(C)C(=O)c2ccccc2)cc1)C(C)C c1ccc(cc1)[*:1] CC(C)N(C(=S)Oc1ccc(cc1)N(C)C(=O)[*:1])C(C)C
CC(=O)Nc1ccc(NCC(=O)N[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NCC(=O)N[C@@H](C)[*:1]
CC(=O)Nc1ccc(NCC(=O)N[C@@H](C)c2ccccc2)cc1 CC(=O)N[*:1] C[C@H](NC(=O)CNc1ccc(cc1)[*:1])c1ccccc1
Cc1ccnc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c1 Cc1ccnc(c1)[*:1] O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[*:1]
CO[C@H]1CCCN(C(=O)Cc2cnn(-c3ccccc3)c2)C1 c1ccc(cc1)[*:1] CO[C@H]1CCCN(C1)C(=O)Cc1cnn(c1)[*:1]
C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)CC(F)(F)F C[C@H](O)[*:1] C[C@@H](CC(F)(F)F)[NH2+]CC(C)(C)C[*:1]
C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)CC(F)(F)F FC(F)(F)C[*:1] C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)[*:1]
C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)CC(F)(F)F FC(F)(F)[*:1] C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)C[*:1]
C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)CC(F)(F)F C[C@H](O)C[*:1] C[C@@H](CC(F)(F)F)[NH2+]CC(C)(C)[*:1]
COc1cccc(-n2nc(C(=O)N3CCN(C(C)=O)CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)c1 CC(=O)N1CCN(CC1)C(=O)[*:1] COc1cccc(c1)-n1nc(c(=O)n(Cc2ccc(F)cc2)c1=O)[*:1]
COc1cccc(-n2nc(C(=O)N3CCN(C(C)=O)CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)-n1nc(C(=O)N2CCN(CC2)C(C)=O)c(=O)n(C[*:1])c1=O
COc1cccc(-n2nc(C(=O)N3CCN(C(C)=O)CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)c1 COc1cccc(c1)[*:1] CC(=O)N1CCN(CC1)C(=O)c1nn(c(=O)n(Cc2ccc(F)cc2)c1=O)[*:1]
COc1cccc(-n2nc(C(=O)N3CCN(C(C)=O)CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)c1 Fc1ccc(cc1)C[*:1] COc1cccc(c1)-n1nc(C(=O)N2CCN(CC2)C(C)=O)c(=O)n(c1=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H]1CCCC[C@H]1C c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)N[C@H]1CCCC[C@H]1C)[*:1]
COc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)cc2OC)cc1 COc1ccc(cc1)[*:1] COc1cn(nc1C(=O)NCC[*:1])-c1ccc(F)cc1
COc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)cc2OC)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CCNC(=O)c1nn(cc1OC)[*:1]
COc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)cc2OC)cc1 COc1ccc(cc1)C[*:1] COc1cn(nc1C(=O)NC[*:1])-c1ccc(F)cc1
Nc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 O=[N+]([O-])[*:1] Nc1nc(n[nH]1)SCC(=O)Nc1cccc(c1)[*:1]
Nc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 Nc1nc(n[nH]1)[*:1] O=C(CS[*:1])Nc1cccc(c1)[N+](=O)[O-]
CCCn1ncnc1C[C@@H]([NH2+]CC)[C@@H]1C[NH+]2CCN1CC2 CCC[*:1] CC[NH2+][C@H](Cc1ncnn1[*:1])[C@@H]1C[NH+]2CCN1CC2
COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C\C(C)=O)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc2C3=NN(/C(C)=C\C(C)=O)[C@H]([C@H]3CCc2c1)[*:1]
COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C\C(C)=O)[C@@H]1c1ccc(F)cc1 CC(=O)C=C(C)[*:1] COc1ccc2C3=NN([C@H](c4ccc(F)cc4)[C@H]3CCc2c1)[*:1]
COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C\C(C)=O)[C@@H]1c1ccc(F)cc1 CC(=O)[*:1] COc1ccc2C3=NN(C(C)=C[*:1])[C@H](c4ccc(F)cc4)[C@H]3CCc2c1
CCC[C@@H](CC[C@@H]1CCO[C@]2(CCSC2)C1)[NH2+]CC CCC[*:1] CC[NH2+][C@H](CC[C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
Cc1ccccc1CN1CCN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)CC1 Cc1ccccc1[*:1] O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N1CCN(CC1)C[*:1]
Cc1ccccc1CN1CCN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)CC1 c1cncc(c1)[*:1] Cc1ccccc1CN1CCN(CC1)C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
Cc1ccccc1CN1CCN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)CC1 Cc1ccccc1C[*:1] O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N1CCN(CC1)[*:1]
Cc1ccccc1CN1CCN(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1CN1CCN(CC1)C(=O)CSc1nnc(-c2cccnc2)n1[*:1]
COc1cccc(Cn2c(=O)c(=O)n(CC(=O)[O-])c3ccccc32)c1 O=C([O-])[*:1] COc1cccc(c1)Cn1c(=O)c(=O)n(C[*:1])c2ccccc21
COc1cccc(Cn2c(=O)c(=O)n(CC(=O)[O-])c3ccccc32)c1 COc1cccc(c1)[*:1] O=C([O-])Cn1c(=O)c(=O)n(C[*:1])c2ccccc21
COc1cccc(Cn2c(=O)c(=O)n(CC(=O)[O-])c3ccccc32)c1 O=C([O-])C[*:1] COc1cccc(c1)Cn1c(=O)c(=O)n(c2ccccc21)[*:1]
CN(CC(C)(C)O)C(=O)c1cccc(OC(F)F)c1 CC(C)(O)[*:1] CN(C[*:1])C(=O)c1cccc(c1)OC(F)F
CN(CC(C)(C)O)C(=O)c1cccc(OC(F)F)c1 FC(F)[*:1] CN(CC(C)(C)O)C(=O)c1cccc(c1)O[*:1]
CN(CC(C)(C)O)C(=O)c1cccc(OC(F)F)c1 FC(F)O[*:1] CN(CC(C)(C)O)C(=O)c1cccc(c1)[*:1]
CN(CC(C)(C)O)C(=O)c1cccc(OC(F)F)c1 CC(C)(O)C[*:1] CN(C(=O)c1cccc(c1)OC(F)F)[*:1]
CNS(=O)(=O)Cc1cccc(C[NH2+]Cc2cc(C)cc(C)c2)c1 CNS(=O)(=O)C[*:1] Cc1cc(C)cc(c1)C[NH2+]Cc1cccc(c1)[*:1]
CNS(=O)(=O)Cc1cccc(C[NH2+]Cc2cc(C)cc(C)c2)c1 CNS(=O)(=O)[*:1] Cc1cc(C)cc(c1)C[NH2+]Cc1cccc(c1)C[*:1]
O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cc([N+](=O)[O-])ccc1Cl c1nnc2sc(nn12)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)-c1nn2cnnc2s1)c1cc(ccc1Cl)[*:1]
CN(C(=O)c1ccc(F)cc1F)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)c1ccc(F)cc1F)[*:1]
N#CCCN(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)cc1 N#CCC[*:1] O=C(c1ccc(cc1)-c1ccccc1)N(Cc1ccco1)[*:1]
N#CCCN(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)cc1 c1coc(c1)[*:1] N#CCCN(C[*:1])C(=O)c1ccc(cc1)-c1ccccc1
N#CCCN(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)cc1 N#CC[*:1] O=C(c1ccc(cc1)-c1ccccc1)N(Cc1ccco1)C[*:1]
N#CCCN(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)cc1 c1coc(c1)C[*:1] N#CCCN(C(=O)c1ccc(cc1)-c1ccccc1)[*:1]
N#CCCN(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] N#CCCN(Cc1ccco1)C(=O)c1ccc(cc1)[*:1]
CC(C)C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 CC(C)[*:1] Fc1ccc(CN2CC[NH+](CC2)C[*:1])c(Cl)c1
CC(C)C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 CC(C)C[*:1] Fc1ccc(CN2CC[NH+](CC2)[*:1])c(Cl)c1
C[NH2+][C@H](CCC[C@H]1CCCN(S(C)(=O)=O)C1)C1CC1 C1CC1[*:1] C[NH2+][C@H](CCC[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
N#C/C(=C\[C@@H]1C=CC=N1)C(=O)N[C@@H]1N[C@H](c2ccccc2)CS1 c1ccc(cc1)[*:1] N#C/C(=C\[C@@H]1C=CC=N1)C(=O)N[C@@H]1N[C@H](CS1)[*:1]
COCCCOc1ccc(C(N)=O)cc1 COCC[*:1] NC(=O)c1ccc(cc1)OC[*:1]
COCCCOc1ccc(C(N)=O)cc1 NC(=O)[*:1] COCCCOc1ccc(cc1)[*:1]
COCCCOc1ccc(C(N)=O)cc1 COCCC[*:1] NC(=O)c1ccc(cc1)O[*:1]
COCCCOc1ccc(C(N)=O)cc1 COC[*:1] NC(=O)c1ccc(cc1)OCC[*:1]
Cc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)s1 Fc1ccc(cc1)[*:1] Cc1nnc(s1)N1CC[C@@H](C1)NC(=O)N[*:1]
Cc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)s1 Cc1nnc(s1)[*:1] O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C1)[*:1]
COc1cc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncn1 C1CC1[*:1] COc1cc(ncn1)N1C[C@@H](C)[C@](O)(C1)[*:1]
O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H](c2ccn[nH]2)C1 c1cc([nH]n1)[*:1] O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H](C1)[*:1]
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1 Brc1ccc(cc1)[*:1] CC(=O)C1=C(C)NC(SCC(=O)N[*:1])=C(C#N)[C@H]1c1ccccc1
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1[*:1]
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1 O=C(Nc1ccc(Br)cc1)[*:1] CC(=O)C1=C(C)NC(SC[*:1])=C(C#N)[C@H]1c1ccccc1
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1 CC(=O)[*:1] CC1NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H](C=1[*:1])c1ccccc1
C[C@H](Nc1cccc(NC(=O)CO)c1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@H](Nc1cccc(c1)NC(=O)CO)C(=O)N[*:1]
C[C@H](Nc1cccc(NC(=O)CO)c1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Nc1cccc(c1)NC(=O)CO)C(=O)NC[*:1]
C[C@H](Nc1cccc(NC(=O)CO)c1)C(=O)NCc1ccc(F)cc1 O=C(CO)N[*:1] C[C@H](Nc1cccc(c1)[*:1])C(=O)NCc1ccc(F)cc1
CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c([O-])n1)C(=O)Nc1c(F)c(F)cc(F)c1F CC(=O)Nc1ccccc1[*:1] CC[C@@H](Sc1nnc(c([O-])n1)[*:1])C(=O)Nc1c(F)c(F)cc(F)c1F
CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c([O-])n1)C(=O)Nc1c(F)c(F)cc(F)c1F CC(=O)N[*:1] CC[C@@H](Sc1nnc(-c2ccccc2[*:1])c([O-])n1)C(=O)Nc1c(F)c(F)cc(F)c1F
CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c([O-])n1)C(=O)Nc1c(F)c(F)cc(F)c1F Fc1cc(F)c(F)c(c1F)[*:1] CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c([O-])n1)C(=O)N[*:1]
Cc1cnc(CN2CCN(Cc3ncc(C)o3)[C@H](C(=O)N(C)C)C2)o1 Cc1cnc(o1)[*:1] Cc1cnc(CN2CCN(C[*:1])[C@@H](C2)C(=O)N(C)C)o1
Cc1cnc(CN2CCN(Cc3ncc(C)o3)[C@H](C(=O)N(C)C)C2)o1 Cc1cnc(C[*:1])o1 Cc1cnc(CN2CCN(C[C@H]2C(=O)N(C)C)[*:1])o1
Cc1cnc(CN2CCN(Cc3ncc(C)o3)[C@H](C(=O)N(C)C)C2)o1 Cc1cnc(C[*:1])o1 Cc1cnc(CN2CCN([C@@H](C2)C(=O)N(C)C)[*:1])o1
Cc1cnc(CN2CCN(Cc3ncc(C)o3)[C@H](C(=O)N(C)C)C2)o1 Cc1cnc(o1)[*:1] Cc1cnc(CN2CCN(C[C@H]2C(=O)N(C)C)C[*:1])o1
Cc1cnc(CN2CCN(Cc3ncc(C)o3)[C@H](C(=O)N(C)C)C2)o1 CN(C)C(=O)[*:1] Cc1cnc(CN2CCN(Cc3ncc(C)o3)[C@H](C2)[*:1])o1
COc1ccc2c(c1)CN(Cc1cnnn1C)[C@@H](c1ccccc1)C2 c1ccc(cc1)[*:1] COc1ccc2C[C@H](N(Cc2c1)Cc1cnnn1C)[*:1]
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc23)c(C)c1 c1cc(c2nsnc2c1)[*:1] Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)[*:1])c(C)c1
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc23)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@@H](C[*:1])NS(=O)(=O)c2cccc3nsnc23)c(C)c1
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12
Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc23)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccc3nsnc23)[*:1])c(C)c1
O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1cccc2ccccc12 Clc1ccc(cc1)[*:1] O=C(NCc1nnnn1[*:1])c1cccc2ccccc12
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)[C@@H](O)c3ccccc3)c2C)cc1 O[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1)-n1nc(C)c(/C=N/NC(=O)[*:1])c1C
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)[C@@H](O)c3ccccc3)c2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc(C)c(/C=N/NC(=O)[C@@H](O)[*:1])c1C
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)[C@@H](O)c3ccccc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=N/NC(=O)[C@@H](O)c1ccccc1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O CC(C)[*:1] Cc1cccc(c1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)[*:1]
C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1Br O=[N+]([O-])[*:1] C[C@@H](NC(=O)/C=C/c1ccc(cc1)[*:1])c1ccccc1Br
C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1Br Brc1ccccc1[*:1] C[C@@H](NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(NC(=O)c2cccs2)cc1 O=C(N[*:1])c1cccs1 O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(cc1)[*:1]
O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(NC(=O)c2cccs2)cc1 O=c1[nH]cc(c(=O)[nH]1)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1cccs1
O=C(NCc1cn[nH]c1)c1cc2cccc(Br)c2o1 c1n[nH]cc1[*:1] O=C(NC[*:1])c1cc2cccc(Br)c2o1
O=C(NCc1cn[nH]c1)c1cc2cccc(Br)c2o1 c1n[nH]cc1C[*:1] O=C(N[*:1])c1cc2cccc(Br)c2o1
CS[C@@H](C)C(=O)Nc1cc(C)on1 CS[C@@H](C)[*:1] Cc1cc(no1)NC(=O)[*:1]
Cc1nnc(-c2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2)o1 Cc1nnc(o1)[*:1] CC1CC[NH+](CCCNC(=O)c2ccc(cc2)[*:1])CC1
C[NH+](CCC1CCCCC1)CCn1cc([N+](=O)[O-])ccc1=O O=[N+]([O-])[*:1] C[NH+](CCC1CCCCC1)CCn1cc(ccc1=O)[*:1]
C[NH+](CCC1CCCCC1)CCn1cc([N+](=O)[O-])ccc1=O C1CCC(CC1)[*:1] C[NH+](CCn1cc(ccc1=O)[N+](=O)[O-])CC[*:1]
C[NH+](CCC1CCCCC1)CCn1cc([N+](=O)[O-])ccc1=O C1CCC(CC1)C[*:1] C[NH+](CCn1cc(ccc1=O)[N+](=O)[O-])C[*:1]
O=S(=O)(c1ccc2ccccc2c1)N1CCCSC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=S(=O)(c1ccc2ccccc2c1)N1CCCSC[C@@H]1C[*:1]
O=S(=O)(c1ccc2ccccc2c1)N1CCCSC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=S(=O)(c1ccc2ccccc2c1)N1CCCSC[C@H]1[*:1]
Clc1cc(Cl)cc(C[NH2+]Cc2cccc(Cn3cncn3)c2)c1 c1ncn(n1)[*:1] Clc1cc(Cl)cc(c1)C[NH2+]Cc1cccc(c1)C[*:1]
Clc1cc(Cl)cc(C[NH2+]Cc2cccc(Cn3cncn3)c2)c1 c1ncn(C[*:1])n1 Clc1cc(Cl)cc(c1)C[NH2+]Cc1cccc(c1)[*:1]
CCCNc1ncnc2c1cnn2-c1ccc(C)cc1 CCCN[*:1] Cc1ccc(cc1)-n1ncc2c(ncnc21)[*:1]
CCCNc1ncnc2c1cnn2-c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)-n1ncc2c(ncnc21)N[*:1]
C[C@@H](Nc1cccc(Cn2cccn2)c1)c1c(F)cccc1F c1cnn(c1)[*:1] C[C@@H](Nc1cccc(c1)C[*:1])c1c(F)cccc1F
C[C@@H](Nc1cccc(Cn2cccn2)c1)c1c(F)cccc1F c1cnn(c1)C[*:1] C[C@@H](Nc1cccc(c1)[*:1])c1c(F)cccc1F
O=C(c1csc2c1CCCC2)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 c1sc2CCCCc2c1[*:1] O=C(N1CCC[C@H](C1)N1CCN(CC1)c1ccccc1)[*:1]
O=C(c1csc2c1CCCC2)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] O=C(c1csc2CCCCc12)N1CCC[C@H](C1)N1CCN(CC1)[*:1]
CCc1ccc(C2=NN(C(C)=O)[C@@H](c3ccsc3)C2)cc1 c1cc(cs1)[*:1] CCc1ccc(cc1)C1C[C@H](N(N=1)C(C)=O)[*:1]
CCc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)o1 CCc1ccc(o1)[*:1] C[C@H]([NH2+][C@@H]1CCN(C1)c1ccccn1)[*:1]
CCc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)o1 c1ccc(nc1)[*:1] CCc1ccc(o1)[C@H](C)[NH2+][C@@H]1CCN(C1)[*:1]
O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H]3CCCc4cccc2c43)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])C[NH2+][C@@H]1C[C@H]2CCCc3cccc1c32
CCOCCN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 CCOCC[*:1] CN(C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1)[*:1]
CCOCCN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CCOCCN(C)C(=O)[C@H]1CCCN1C(=O)N[*:1]
CCOCCN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 CCOC[*:1] CN(C[*:1])C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1
CCOCCN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 CCO[*:1] CN(CC[*:1])C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1
COc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)C[*:1]
CC(C)Cc1cc([N+](=O)[O-])n(C)n1 O=[N+]([O-])[*:1] CC(C)Cc1cc(n(C)n1)[*:1]
CC(C)Cc1cc([N+](=O)[O-])n(C)n1 CC(C)C[*:1] Cn1nc(cc1[N+](=O)[O-])[*:1]
CC(C)Cc1cc([N+](=O)[O-])n(C)n1 CC(C)[*:1] Cn1nc(cc1[N+](=O)[O-])C[*:1]
N#Cc1ccc(N2CCC(Nc3nc4ccccc4cc3CO)CC2)cc1 N#Cc1ccc(cc1)[*:1] OCc1cc2ccccc2nc1NC1CCN(CC1)[*:1]
CC(=O)c1ccn(Cc2ccc([N+](=O)[O-])cc2Br)c1 O=[N+]([O-])[*:1] CC(=O)c1ccn(c1)Cc1ccc(cc1Br)[*:1]
CC(=O)c1ccn(Cc2ccc([N+](=O)[O-])cc2Br)c1 CC(=O)[*:1] O=[N+]([O-])c1ccc(Cn2ccc(c2)[*:1])c(Br)c1
CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](C)S(C)(=O)=O CS(=O)(=O)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](C)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](C)S(C)(=O)=O CCC[*:1] C[C@H](C(=O)N[C@H]1C[C@H]1[*:1])S(C)(=O)=O
O=C1CN(C(=O)c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)CCN1 O=C1CN(CCN1)C(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1C[C@H]1c1ccccc1Cl
O=C1CN(C(=O)c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)cc2)CCN1 Clc1ccccc1[*:1] O=C1CN(CCN1)C(=O)c1ccc(cc1)CNC(=O)[C@@H]1C[C@@H]1[*:1]
CCOC[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C1 CCOC[*:1] O=C(c1cc(on1)-c1ccc(Cl)s1)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C1 Clc1ccc(s1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)c1cc(on1)[*:1]
CCOC[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)C1 CCO[*:1] O=C(c1cc(on1)-c1ccc(Cl)s1)N1CC[C@H](C1)C[*:1]
CC[NH2+][C@@H](c1cc(C)ccc1C)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] CC[NH2+][C@@H](c1cc(C)ccc1C)[C@@H](C)[*:1]
COc1ccc(C(=O)NNC2=[NH+]C(C)(C)Cc3c2ccc2ccccc32)cc1OC COc1ccc(cc1OC)[*:1] CC1(C)Cc2c(ccc3ccccc23)C(NNC(=O)[*:1])=[NH+]1
COCCN(C(=O)c1nn(C)c2c1CSc1ccccc1-2)C1CCN(C(C)=O)CC1 COCC[*:1] CC(=O)N1CCC(CC1)N(C(=O)c1nn(C)c2-c3ccccc3SCc12)[*:1]
COCCN(C(=O)c1nn(C)c2c1CSc1ccccc1-2)C1CCN(C(C)=O)CC1 CC(=O)N1CCC(CC1)[*:1] COCCN(C(=O)c1nn(C)c2-c3ccccc3SCc12)[*:1]
COCCN(C(=O)c1nn(C)c2c1CSc1ccccc1-2)C1CCN(C(C)=O)CC1 COC[*:1] CC(=O)N1CCC(CC1)N(C[*:1])C(=O)c1nn(C)c2-c3ccccc3SCc12
CCCC[C@H](CC)C[C@H]1CCCC[NH2+]1 CCCC[*:1] CC[C@H](C[C@H]1CCCC[NH2+]1)[*:1]
CCCC[C@H](CC)C[C@H]1CCCC[NH2+]1 CCC[*:1] CC[C@H](C[C@H]1CCCC[NH2+]1)C[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)CO[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(C#N)cc1 N#Cc1ccc(cc1)O[*:1] Cc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(C#N)cc1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1NC(=O)COc1ccc(C#N)cc1)[*:1]
Cc1ccc2oc([C@@H](Br)[C@H](C)c3ccncc3)cc2c1 c1cc(ccn1)[*:1] Cc1ccc2oc(cc2c1)[C@@H](Br)[C@H](C)[*:1]
C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCc1ccco1)[C@]1(C2)NC(=O)c2ccccc2N1 c1coc(c1)C[*:1] C[C@@]12CC[C@@H](C[C@@H]1C(=O)NC[*:1])[C@]1(C2)NC(=O)c2ccccc2N1
C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCc1ccco1)[C@]1(C2)NC(=O)c2ccccc2N1 c1coc(c1)[*:1] C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCC[*:1])[C@]1(C2)NC(=O)c2ccccc2N1
C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCc1ccco1)[C@]1(C2)NC(=O)c2ccccc2N1 c1coc(c1)CC[*:1] C[C@@]12CC[C@@H](C[C@@H]1C(=O)N[*:1])[C@]1(C2)NC(=O)c2ccccc2N1
CC[C@@]1(c2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)cc2)CCC(=O)NC1=O Fc1ccc(c(F)c1)[*:1] CC[C@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)CCc1ncc(o1)[*:1]
CCNC(=O)c1ccc(N[C@@H]2CC[C@H](C)[C@@H]2C)[nH+]n1 CCNC(=O)[*:1] C[C@H]1CC[C@@H](Nc2ccc(n[nH+]2)[*:1])[C@H]1C
Cc1cc(C(=O)NCC(=O)Nc2cn(C)c(=O)cc2C)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1cc(=O)n(C)cc1NC(=O)CNC(=O)[*:1]
COc1ccc(CCNC/C(Cl)=C/Cl)cc1 Cl/C=C(\Cl)[*:1] COc1ccc(cc1)CCNC[*:1]
COc1ccc(CCNC/C(Cl)=C/Cl)cc1 Cl/C=C(\Cl)C[*:1] COc1ccc(cc1)CCN[*:1]
Cc1ccc(CNC(=O)C[NH+]2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CN1CC[NH+](CC1)CC(=O)NC[*:1]
Cc1ccc(CNC(=O)C[NH+]2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 Cc1ccc(cc1)C[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CN1CC[NH+](CC1)CC(=O)N[*:1]
CN(Cc1ccc(O)cc1)C(=O)c1csc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CN(Cc1ccc(O)cc1)C(=O)c1csc(n1)[*:1]
CN(Cc1ccc(O)cc1)C(=O)c1csc(-c2ccccn2)n1 Oc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1csc(n1)-c1ccccn1
Cc1ccc2[nH+]c3c(n2c1)[C@H](c1ccc(O)cc1Cl)CC(=O)NC3 Oc1ccc(c(Cl)c1)[*:1] Cc1ccc2[nH+]c3CNC(=O)C[C@@H](c3n2c1)[*:1]
Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccc(Br)cc3)nnc1n2CCCc1ccccc1 c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1n1c(nnc1n2CCC[*:1])-c1ccc(Br)cc1
Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccc(Br)cc3)nnc1n2CCCc1ccccc1 c1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1n1c(nnc1n2CC[*:1])-c1ccc(Br)cc1
Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccc(Br)cc3)nnc1n2CCCc1ccccc1 Brc1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1n1c(nnc1n2CCCc1ccccc1)[*:1]
Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccc(Br)cc3)nnc1n2CCCc1ccccc1 c1ccc(cc1)CCC[*:1] Cn1c(=O)[nH]c(=O)c2c1n1c(nnc1n2[*:1])-c1ccc(Br)cc1
Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccc(Br)cc3)nnc1n2CCCc1ccccc1 c1ccc(cc1)CC[*:1] Cn1c(=O)[nH]c(=O)c2c1n1c(nnc1n2C[*:1])-c1ccc(Br)cc1
O=C(Cc1ccncc1)NNC(=O)c1occc1COc1ccccc1 c1ccc(cc1)OC[*:1] O=C(Cc1ccncc1)NNC(=O)c1occc1[*:1]
O=C(Cc1ccncc1)NNC(=O)c1occc1COc1ccccc1 c1cc(ccn1)[*:1] O=C(C[*:1])NNC(=O)c1occc1COc1ccccc1
O=C(Cc1ccncc1)NNC(=O)c1occc1COc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccncc1)NNC(=O)c1occc1CO[*:1]
O=C(Cc1ccncc1)NNC(=O)c1occc1COc1ccccc1 c1ccc(cc1)O[*:1] O=C(Cc1ccncc1)NNC(=O)c1occc1C[*:1]
O=C(Cc1ccncc1)NNC(=O)c1occc1COc1ccccc1 c1cc(ccn1)C[*:1] O=C(NNC(=O)[*:1])c1occc1COc1ccccc1
CSC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F CSC[C@@H](C)[*:1] O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)N[*:1]
CSC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F CSC[*:1] C[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)[*:1]
CSC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F Fc1ccc(cc1)[*:1] CSC[C@@H](C)NC(=O)N[C@@H](C(F)(F)F)[*:1]
CSC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F FC(F)(F)[*:1] CSC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](SCc1nc(N)nc(n1)N(C)C)[*:1]
C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)N(C)C CN(C)[*:1] C[C@@H](SCc1nc(N)nc(n1)[*:1])C(=O)N(C)C
CC[C@H](CC1CC1)[NH2+][C@@H]1CSCC(C)(C)C1 C1CC1C[*:1] CC[C@H]([NH2+][C@@H]1CSCC(C)(C)C1)[*:1]
CC[C@H](CC1CC1)[NH2+][C@@H]1CSCC(C)(C)C1 C1CC1[*:1] CC[C@H](C[*:1])[NH2+][C@@H]1CSCC(C)(C)C1
COC[C@@H](NC(=O)CSc1cc(Cl)ccc1Cl)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)CSc1cc(Cl)ccc1Cl)[*:1]
COC[C@@H](NC(=O)CSc1cc(Cl)ccc1Cl)C(N)=O COC[*:1] NC(=O)[C@H](NC(=O)CSc1cc(Cl)ccc1Cl)[*:1]
CCSCCOC(=O)/C=C/c1cccc(C#N)c1 CCS[*:1] N#Cc1cccc(/C=C/C(=O)OCC[*:1])c1
CCSCCOC(=O)/C=C/c1cccc(C#N)c1 CCSCC[*:1] N#Cc1cccc(/C=C/C(=O)O[*:1])c1
CCSCCOC(=O)/C=C/c1cccc(C#N)c1 CCSC[*:1] N#Cc1cccc(/C=C/C(=O)OC[*:1])c1
Cn1cc(C2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)cn1 c1ccc(C[*:1])nc1 Cn1cc(cn1)C1CC[NH+](CC1)Cc1ccccc1O[*:1]
Cn1cc(C2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)cn1 c1ccc(nc1)[*:1] Cn1cc(cn1)C1CC[NH+](CC1)Cc1ccccc1OC[*:1]
Cn1cc(C2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)cn1 c1ccc(CO[*:1])nc1 Cn1cc(cn1)C1CC[NH+](CC1)Cc1ccccc1[*:1]
Cn1cc(C2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)cn1 Cn1cc(cn1)[*:1] c1ccc(COc2ccccc2C[NH+]2CCC(CC2)[*:1])nc1
CN(C)S(=O)(=O)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] CN(C)S(=O)(=O)N1CC[NH+](CC1)C[*:1]
CN(C)S(=O)(=O)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] CN(C)S(=O)(=O)N1CC[NH+](CC1)[*:1]
CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)OC)c1 COC(=O)[*:1] CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(c1)[*:1]
CCc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 CCc1ccccc1[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N[*:1]
CCc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)N1CCN(CC1)C(=O)[*:1]
CC[C@](C)(NC(=O)CCOC1CCOCC1)c1nccs1 c1csc(n1)[*:1] CC[C@](C)(NC(=O)CCOC1CCOCC1)[*:1]
CC[C@](C)(NC(=O)CCOC1CCOCC1)c1nccs1 C1CC(CCO1)O[*:1] CC[C@](C)(NC(=O)CC[*:1])c1nccs1
CC[C@](C)(NC(=O)CCOC1CCOCC1)c1nccs1 C1CC(CCO1)[*:1] CC[C@](C)(NC(=O)CCO[*:1])c1nccs1
COc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 COc1ccc(F)cc1[*:1] Cc1cc2c(CC(C)(C)C[C@@H]2NC(=O)C(=O)N[*:1])o1
O=C(Oc1ccccc1F)c1ccc(N2CCCS2(=O)=O)cc1 Fc1ccccc1[*:1] O=C(O[*:1])c1ccc(cc1)N1CCCS1(=O)=O
O=C(Oc1ccccc1F)c1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] O=C(Oc1ccccc1F)c1ccc(cc1)[*:1]
C=C(C)C[NH+]1CCN(c2ccccc2)CC1 C=C(C)C[*:1] c1ccc(cc1)N1CC[NH+](CC1)[*:1]
C=C(C)C[NH+]1CCN(c2ccccc2)CC1 C=C(C)[*:1] c1ccc(cc1)N1CC[NH+](CC1)C[*:1]
CCCOc1ccc(C#N)c(C#N)c1 CCCO[*:1] N#Cc1ccc(cc1C#N)[*:1]
CCCOc1ccc(C#N)c(C#N)c1 CCC[*:1] N#Cc1ccc(cc1C#N)O[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 Cc1ccc(s1)[*:1] O=C(c1ccc(Cl)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 Clc1ccc(cc1)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)c1ccccc1N(C)C CN(C)[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)c1ccccc1[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)c1ccccc1N(C)C CCC[*:1] C[C@@H](OC(=O)[C@H]1CCCN1C(=O)[*:1])c1ccccc1N(C)C
Cc1cnc(-c2cccc(NC(=O)N[C@@H](CCCO)c3ccccc3)c2)o1 OCC[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)N[C@@H](C[*:1])c1ccccc1
Cc1cnc(-c2cccc(NC(=O)N[C@@H](CCCO)c3ccccc3)c2)o1 Cc1cnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])N[C@@H](CCCO)c1ccccc1
Cc1cnc(-c2cccc(NC(=O)N[C@@H](CCCO)c3ccccc3)c2)o1 OCCC[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1cnc(-c2cccc(NC(=O)N[C@@H](CCCO)c3ccccc3)c2)o1 c1ccc(cc1)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)N[C@@H](CCCO)[*:1]
C[C@@H]1CCC[C@@](CNC(=O)C(C)(C)c2cccc(C#N)c2)([NH+](C)C)C1 N#Cc1cccc(c1)[*:1] C[C@@H]1CCC[C@](CNC(=O)C(C)(C)[*:1])(C1)[NH+](C)C
COc1ccccc1CN(C(=O)N[C@@H]1CCc2ccccc21)C1CC1 COc1ccccc1[*:1] O=C(N[C@@H]1CCc2ccccc21)N(C[*:1])C1CC1
COc1ccccc1CN(C(=O)N[C@@H]1CCc2ccccc21)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)N[C@@H]1CCc2ccccc21)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCC(=O)[O-])cc2)c(C)c1 O=C([O-])CCC(=O)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCC(=O)[O-])cc2)c(C)c1 O=C([O-])C[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc(cc1)C(=O)C[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCC(=O)[O-])cc2)c(C)c1 O=C([O-])[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc(cc1)C(=O)CC[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCC(=O)[O-])cc2)c(C)c1 O=C([O-])CC[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc(cc1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCC(=O)[O-])cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C([O-])CCC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1c(C(=O)N(CC(N)=O)CC(N)=O)cnn1C(C)C NC(=O)[*:1] Cc1c(cnn1C(C)C)C(=O)N(CC(N)=O)C[*:1]
Cc1c(C(=O)N(CC(N)=O)CC(N)=O)cnn1C(C)C NC(=O)C[*:1] Cc1c(cnn1C(C)C)C(=O)N(CC(N)=O)[*:1]
Cc1c(C(=O)N(CC(N)=O)CC(N)=O)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N(CC(N)=O)CC(N)=O
O=C1CS[C@H](c2ccccc2F)N1CC[NH+]1CCCCC1 Fc1ccccc1[*:1] O=C1CS[C@H](N1CC[NH+]1CCCCC1)[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C CC(C)(C)OC(=O)NC[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@]1(CCCC[C@@H]1C)[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C CC(C)(C)OC(=O)N[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@]1(CCCC[C@@H]1C)C[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)N[C@@]1(CCCC[C@@H]1C)CNC(=O)OC(C)(C)C
Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C CC(C)(C)[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@]1(CCCC[C@@H]1C)CNC(=O)O[*:1]
COc1ccccc1[C@H](NCc1cnc2cc(C)ccn12)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NCc1cnc2cc(C)ccn12)[*:1]
COc1ccccc1[C@H](NCc1cnc2cc(C)ccn12)c1ccccn1 COc1ccccc1[*:1] Cc1ccn2c(cnc2c1)CN[C@H](c1ccccn1)[*:1]
COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 COc1cccc(c1)[*:1] Cc1ccccc1OCCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 Cc1ccccc1OCC[*:1] COc1cccc(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 Cc1ccccc1OC[*:1] COc1cccc(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 Cc1ccccc1[*:1] COc1cccc(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1CCO[*:1]
COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 Cc1ccccc1O[*:1] COc1cccc(c1)N1C[C@H](CC1=O)c1nc2ccccc2n1CC[*:1]
[NH3+]CCOCC(=O)N[C@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] [NH3+]CCOCC(=O)N[C@H](c1ccccc1)[*:1]
[NH3+]CCOCC(=O)N[C@H](C(=O)[O-])c1ccccc1 [NH3+]CCOC[*:1] O=C([O-])[C@@H](NC(=O)[*:1])c1ccccc1
[NH3+]CCOCC(=O)N[C@H](C(=O)[O-])c1ccccc1 [NH3+]CCO[*:1] O=C(C[*:1])N[C@H](C(=O)[O-])c1ccccc1
[NH3+]CCOCC(=O)N[C@H](C(=O)[O-])c1ccccc1 [NH3+]CC[*:1] O=C(CO[*:1])N[C@H](C(=O)[O-])c1ccccc1
[NH3+]CCOCC(=O)N[C@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] [NH3+]CCOCC(=O)N[C@H](C(=O)[O-])[*:1]
O=C([C@H]1COCCO1)N1CCC(=Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C([C@H]1COCCO1)N1CCC(=C[*:1])CC1
COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 CC(C)[*:1] COc1ccc(cc1C(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1])[N+](=O)[O-]
CC(C)(C)n1cc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)cn1 FC(F)(F)CO[*:1] CC(C)(C)n1cc(cn1)NC(=O)NCc1cccc(c1)[*:1]
CC(C)(C)n1cc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)cn1 FC(F)(F)C[*:1] CC(C)(C)n1cc(cn1)NC(=O)NCc1cccc(c1)O[*:1]
CC(C)(C)n1cc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)cn1 FC(F)(F)[*:1] CC(C)(C)n1cc(cn1)NC(=O)NCc1cccc(c1)OC[*:1]
CC(C)(C)n1cc(NC(=O)NCc2cccc(OCC(F)(F)F)c2)cn1 CC(C)(C)[*:1] O=C(NCc1cccc(c1)OCC(F)(F)F)Nc1cnn(c1)[*:1]
Cc1csc(NC(=O)CN(CCCO)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)CN(CCCO)[*:1]
Cc1csc(NC(=O)CN(CCCO)c2ccccc2)n1 Cc1csc(n1)[*:1] O=C(CN(CCCO)c1ccccc1)N[*:1]
Cc1csc(NC(=O)CN(CCCO)c2ccccc2)n1 OCC[*:1] Cc1csc(n1)NC(=O)CN(C[*:1])c1ccccc1
Cc1csc(NC(=O)CN(CCCO)c2ccccc2)n1 OCCC[*:1] Cc1csc(n1)NC(=O)CN(c1ccccc1)[*:1]
Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H](C)[C@@H](O)C3)s2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1ncc(C[*:1])s1
CCCc1ccc([C@H](NC(=O)N2CCC(CC(N)=O)CC2)C(C)C)cc1 CC(C)[*:1] CCCc1ccc(cc1)[C@H](NC(=O)N1CCC(CC1)CC(N)=O)[*:1]
CCCc1ccc([C@H](NC(=O)N2CCC(CC(N)=O)CC2)C(C)C)cc1 CCC[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)CC(N)=O)c1ccc(cc1)[*:1]
CCCc1ccc([C@H](NC(=O)N2CCC(CC(N)=O)CC2)C(C)C)cc1 NC(=O)[*:1] CCCc1ccc(cc1)[C@H](NC(=O)N1CCC(CC1)C[*:1])C(C)C
CCCc1ccc([C@H](NC(=O)N2CCC(CC(N)=O)CC2)C(C)C)cc1 NC(=O)C[*:1] CCCc1ccc(cc1)[C@H](NC(=O)N1CCC(CC1)[*:1])C(C)C
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccccc1F c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)NCc1ccccc1F)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccccc1F c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)NCc1ccccc1F
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccccc1F Fc1ccccc1C[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccccc1F Fc1ccccc1[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[*:1]
CCc1nc(CCNC(=O)NCc2csc(C3CC3)n2)cs1 C1CC1[*:1] CCc1nc(cs1)CCNC(=O)NCc1csc(n1)[*:1]
CCc1nc(CCNC(=O)NCc2csc(C3CC3)n2)cs1 CCc1nc(cs1)[*:1] O=C(NCC[*:1])NCc1csc(n1)C1CC1
COc1cc2c(cc1OC)CN(C(=O)CSc1nnc3scc(-c4ccccc4)n13)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CSc1nnc2scc(n12)[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1CC1 C1CC1[*:1] CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1CC1 O=C(C[*:1])NC1CC1 CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2ccccc2[C@H]1[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1CC1 O=C(NC1CC1)[*:1] CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1C[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1CC1 CC(=O)N[*:1] Cc1ccc(c(c1)S(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1CC1)[*:1]
CCN[C@@]1(C#N)CCC[C@H](N2CCOC[C@@H]2C)C1 CCN[*:1] C[C@H]1COCCN1[C@H]1CCC[C@](C#N)(C1)[*:1]
Cc1ccnc2c1nc(CCl)n2CC(C)(C)NS(C)(=O)=O CS(=O)(=O)N[*:1] Cc1ccnc2c1nc(CCl)n2CC(C)(C)[*:1]
CCCCCCNC(=O)Nc1c(C)cc(C)nc1Cl CCCCC[*:1] Cc1cc(C)c(NC(=O)NC[*:1])c(Cl)n1
CCCCCCNC(=O)Nc1c(C)cc(C)nc1Cl CCCC[*:1] Cc1cc(C)c(NC(=O)NCC[*:1])c(Cl)n1
CCCCCCNC(=O)Nc1c(C)cc(C)nc1Cl CCCCCC[*:1] Cc1cc(C)c(NC(=O)N[*:1])c(Cl)n1
CCCCCCNC(=O)Nc1c(C)cc(C)nc1Cl CCC[*:1] Cc1cc(C)c(NC(=O)NCCC[*:1])c(Cl)n1
CCCOc1cccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)c1 CCCO[*:1] O=C1OC(=N/C1=C\c1cccc(c1)[*:1])c1cccc(F)c1
CCCOc1cccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)c1 CCC[*:1] O=C1OC(=N/C1=C\c1cccc(c1)O[*:1])c1cccc(F)c1
CCCOc1cccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)c1 Fc1cccc(c1)[*:1] CCCOc1cccc(/C=C2\N=C(OC2=O)[*:1])c1
COCCN1CCC([NH2+]CCc2c(C)cccc2C)CC1 COCC[*:1] Cc1cccc(C)c1CC[NH2+]C1CCN(CC1)[*:1]
COCCN1CCC([NH2+]CCc2c(C)cccc2C)CC1 COC[*:1] Cc1cccc(C)c1CC[NH2+]C1CCN(CC1)C[*:1]
O=C(Nc1cccc2[nH]ccc12)c1cccn(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(Nc1cccc2[nH]ccc12)c1cccn(C[*:1])c1=O
O=C(Nc1cccc2[nH]ccc12)c1cccn(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] O=C(Nc1cccc2[nH]ccc12)c1cccn(c1=O)[*:1]
Cc1cc2c(N[C@H](C)CCS(C)(=O)=O)ncnc2s1 CS(=O)(=O)[*:1] Cc1cc2c(ncnc2s1)N[C@H](C)CC[*:1]
Cc1cc2c(N[C@H](C)CCS(C)(=O)=O)ncnc2s1 CS(=O)(=O)CC[*:1] Cc1cc2c(ncnc2s1)N[C@H](C)[*:1]
Cc1cc2c(N[C@H](C)CCS(C)(=O)=O)ncnc2s1 CS(=O)(=O)C[*:1] Cc1cc2c(ncnc2s1)N[C@H](C)C[*:1]
CCOCC(=O)NCc1nnnn1-c1ccccc1 CCO[*:1] O=C(C[*:1])NCc1nnnn1-c1ccccc1
CCOCC(=O)NCc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] CCOCC(=O)NCc1nnnn1[*:1]
CCOCC(=O)NCc1nnnn1-c1ccccc1 CCOC[*:1] O=C(NCc1nnnn1-c1ccccc1)[*:1]
Cc1cc2oc(=O)cc(COC(=O)C[C@H](NC(N)=O)c3cccs3)c2cc1C c1csc(c1)[*:1] Cc1cc2oc(=O)cc(COC(=O)C[C@H](NC(N)=O)[*:1])c2cc1C
Cc1cc2oc(=O)cc(COC(=O)C[C@H](NC(N)=O)c3cccs3)c2cc1C NC(=O)N[*:1] Cc1cc2oc(=O)cc(COC(=O)C[C@H](c3cccs3)[*:1])c2cc1C
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)Nc1nnc2ccccn12 FC(F)[*:1] O=C(NC[C@@H](O)c1cccc(c1)O[*:1])Nc1nnc2ccccn12
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)Nc1nnc2ccccn12 FC(F)O[*:1] O=C(NC[C@@H](O)c1cccc(c1)[*:1])Nc1nnc2ccccn12
O=C1CC[C@@H](C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)N1 c1ccc2c(c1)ncn2[*:1] O=C1CC[C@H](N1)C(=O)N[C@H](C[*:1])c1ccc(F)cc1
O=C1CC[C@@H](C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)N1 Fc1ccc(cc1)[*:1] O=C1CC[C@H](N1)C(=O)N[C@H](Cn1cnc2ccccc21)[*:1]
CC[C@H](C)C(=O)N1CCC[C@H]1[C@@H]1CCC[C@@H]1O CC[C@H](C)[*:1] O=C(N1CCC[C@H]1[C@@H]1CCC[C@@H]1O)[*:1]
CCNc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@@H](C)C2)c1 O=[N+]([O-])[*:1] CCNc1ccc(c(c1)C(=O)N1C[C@@H](C)[C@@H](C)C1)[*:1]
CCNc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@@H](C)C2)c1 CCN[*:1] C[C@@H]1CN(C[C@@H]1C)C(=O)c1cc(ccc1[N+](=O)[O-])[*:1]
CCn1cc[nH+]c1CNc1cc(C(C)(C)C)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCn1cc[nH+]c1CNc1cc(nn1[*:1])C(C)(C)C
CCn1cc[nH+]c1CNc1cc(C(C)(C)C)nn1-c1ccccc1 CC(C)(C)[*:1] CCn1cc[nH+]c1CNc1cc(nn1-c1ccccc1)[*:1]
O=C(CN1CCOc2ccccc21)NCc1ccco1 c1coc(c1)C[*:1] O=C(CN1CCOc2ccccc21)N[*:1]
O=C(CN1CCOc2ccccc21)NCc1ccco1 c1coc(c1)[*:1] O=C(CN1CCOc2ccccc21)NC[*:1]
O=C(Cn1nc(C(c2ccccc2)c2ccccc2)oc1=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1nc(oc1=O)C(c1ccccc1)c1ccccc1)N[*:1]
O=C(Cn1nc(C(c2ccccc2)c2ccccc2)oc1=O)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(Cn1nc(oc1=O)C(c1ccccc1)[*:1])Nc1ccccc1F
O=C(Cn1nc(C(c2ccccc2)c2ccccc2)oc1=O)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] O=c1oc(nn1C[*:1])C(c1ccccc1)c1ccccc1
COc1ccc(C[NH2+][C@H]2C3=C(CCCC3)C(=O)N2Cc2ccc(F)cc2)cc1 COc1ccc(cc1)C[*:1] O=C1C2CCCCC=2[C@H]([NH2+][*:1])N1Cc1ccc(F)cc1
COc1ccc(C[NH2+][C@H]2C3=C(CCCC3)C(=O)N2Cc2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C1C2CCCCC=2[C@H]([NH2+]C[*:1])N1Cc1ccc(F)cc1
COc1ccc(C[NH2+][C@H]2C3=C(CCCC3)C(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C[NH2+][C@H]1C2CCCCC=2C(=O)N1C[*:1]
COc1ccc(C[NH2+][C@H]2C3=C(CCCC3)C(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)C[NH2+][C@H]1C2CCCCC=2C(=O)N1[*:1]
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCC2=CCCCC2)o1 Cc1ccc(o1)[*:1] O=C(C[C@@H]1C(=O)NCCN1C[*:1])NCCC1=CCCCC1
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCC2=CCCCC2)o1 Cc1ccc(C[*:1])o1 O=C(C[C@@H]1C(=O)NCCN1[*:1])NCCC1=CCCCC1
COC(=O)c1ccc(-c2cccc(S(C)(=O)=O)c2)nc1 COC(=O)[*:1] CS(=O)(=O)c1cccc(c1)-c1ccc(cn1)[*:1]
COC(=O)c1ccc(-c2cccc(S(C)(=O)=O)c2)nc1 CS(=O)(=O)[*:1] COC(=O)c1ccc(nc1)-c1cccc(c1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)C(=O)NC[C@H](C)c1ccsc1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C)C(=O)NC[C@H](C)c1ccsc1
C[C@@H](CS(C)(=O)=O)N(C)C(=O)NC[C@H](C)c1ccsc1 CS(=O)(=O)C[*:1] C[C@@H](N(C)C(=O)NC[C@H](C)c1ccsc1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)C(=O)NC[C@H](C)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CS(C)(=O)=O)N(C)C(=O)NC[C@H](C)[*:1]
COc1cccc(Oc2ccc(NC(=O)NCc3ccccn3)cc2)c1 COc1cccc(c1)[*:1] O=C(NCc1ccccn1)Nc1ccc(cc1)O[*:1]
COc1cccc(Oc2ccc(NC(=O)NCc3ccccn3)cc2)c1 c1ccc(C[*:1])nc1 COc1cccc(c1)Oc1ccc(cc1)NC(=O)N[*:1]
COc1cccc(Oc2ccc(NC(=O)NCc3ccccn3)cc2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)Oc1ccc(cc1)NC(=O)NC[*:1]
C[NH2+][C@@H](CCC[C@H]1CCCO1)C(C)(C)[NH+]1CCCCCC1 C1CO[C@H](C1)[*:1] C[NH2+][C@@H](CCC[*:1])C(C)(C)[NH+]1CCCCCC1
C[NH2+][C@@H](CCC[C@H]1CCCO1)C(C)(C)[NH+]1CCCCCC1 C1CO[C@H](C1)CC[*:1] C[NH2+][C@@H](C[*:1])C(C)(C)[NH+]1CCCCCC1
C[NH2+][C@@H](CCC[C@H]1CCCO1)C(C)(C)[NH+]1CCCCCC1 C1CO[C@H](C1)C[*:1] C[NH2+][C@@H](CC[*:1])C(C)(C)[NH+]1CCCCCC1
Cc1cc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc(C)c1O Brc1ccc(s1)[*:1] Cc1cc(cc(C)c1O)CN1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cnc2ccc(C)cn12 COC(=O)[*:1] Cc1ccc2ncc(C(=O)N3c4ccccc4C[C@H]3[*:1])n2c1
C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)COc1ccc(cc1Cl)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC(=O)NC(C)(C)C CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)NCC(=O)NC(C)(C)C)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1ccc(cc1C(=O)NCC(=O)N[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] Cc1ccc(cc1C(=O)NC[*:1])S(C)(=O)=O
CCCc1cc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C(C(=O)OC)=C(N)O2 COC(=O)[*:1] CCCc1cc2OC(N)=C([C@H](c3ccncc3)c2c(=O)[nH]1)[*:1]
CCCc1cc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C(C(=O)OC)=C(N)O2 c1cc(ccn1)[*:1] CCCc1cc2OC(N)=C(C(=O)OC)[C@H](c2c(=O)[nH]1)[*:1]
CCCc1cc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C(C(=O)OC)=C(N)O2 CCC[*:1] COC(=O)C1=C(N)Oc2cc([nH]c(=O)c2[C@H]1c1ccncc1)[*:1]
COC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(SCc3cccnc3)nc2c1 c1cncc(c1)C[*:1] COC(=O)c1ccc2c(=O)n(Cc3ccc4OCOc4c3)c(nc2c1)S[*:1]
COC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(SCc3cccnc3)nc2c1 c1cc2OCOc2cc1[*:1] COC(=O)c1ccc2c(=O)n(C[*:1])c(nc2c1)SCc1cccnc1
COC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(SCc3cccnc3)nc2c1 COC(=O)[*:1] O=c1c2ccc(cc2nc(SCc2cccnc2)n1Cc1ccc2OCOc2c1)[*:1]
COC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(SCc3cccnc3)nc2c1 c1cncc(c1)[*:1] COC(=O)c1ccc2c(=O)n(Cc3ccc4OCOc4c3)c(nc2c1)SC[*:1]
COC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(SCc3cccnc3)nc2c1 c1cncc(c1)CS[*:1] COC(=O)c1ccc2c(=O)n(Cc3ccc4OCOc4c3)c(nc2c1)[*:1]
COC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(SCc3cccnc3)nc2c1 c1cc2OCOc2cc1C[*:1] COC(=O)c1ccc2c(=O)n(c(nc2c1)SCc1cccnc1)[*:1]
CC1CCN(C(=O)N[C@H](/C(N)=N/O)C(C)C)CC1 N/C(=N\O)[*:1] CC1CCN(CC1)C(=O)N[C@H](C(C)C)[*:1]
CC1CCN(C(=O)N[C@H](/C(N)=N/O)C(C)C)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)N[C@H](/C(N)=N/O)[*:1]
CCC[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)C(C)C CCC[*:1] CC(C)[C@H](C(=O)N1CCOC[C@@H]1C(N)=O)[*:1]
CCC[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)C(C)C NC(=O)[*:1] CCC[C@@H](C(=O)N1CCOC[C@H]1[*:1])C(C)C
CCC[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)C(C)C CC(C)[*:1] CCC[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)[*:1]
CC(C)Oc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 CC(C)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 CC(C)O[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCc1ccc(cc1)[*:1]
O=C(NCc1ccc(N2CCCCC2)[nH+]c1)OCC(F)(F)F FC(F)(F)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCC1)OC[*:1]
O=C(NCc1ccc(N2CCCCC2)[nH+]c1)OCC(F)(F)F FC(F)(F)C[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCC1)O[*:1]
O=C(NCc1ccc(N2CCCCC2)[nH+]c1)OCC(F)(F)F C1CCN(CC1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])OCC(F)(F)F
CCCS(=O)(=O)c1ccccc1O[C@H]1CCC[C@@H]([NH3+])C1 CCC[*:1] [NH3+][C@@H]1CCC[C@@H](C1)Oc1ccccc1S(=O)(=O)[*:1]
CCCS(=O)(=O)c1ccccc1O[C@H]1CCC[C@@H]([NH3+])C1 CCCS(=O)(=O)[*:1] [NH3+][C@@H]1CCC[C@@H](C1)Oc1ccccc1[*:1]
O=C(COc1ccc(Cl)cc1Cl)NC[C@]1(O)CCc2ccccc21 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])NC[C@]1(O)CCc2ccccc21
Cc1cc(C)nc(NC(=O)c2cn(C)nc2C(=O)Nc2cc(C)cc(C)n2)c1 Cc1cc(C)nc(c1)[*:1] Cc1cc(C)nc(c1)NC(=O)c1cn(C)nc1C(=O)N[*:1]
Cc1cc(C)nc(NC(=O)c2cn(C)nc2C(=O)Nc2cc(C)cc(C)n2)c1 Cc1cc(C)nc(c1)[*:1] Cc1cc(C)nc(c1)NC(=O)c1nn(C)cc1C(=O)N[*:1]
Cc1noc(C)c1CC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] Cc1noc(C)c1CC(=O)N1CC[C@@H]([C@H]1C)[*:1]
C[C@@H]1CN(C(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CCO1 C1CC1[*:1] C[C@@H]1CN(CCO1)C(=O)Nc1cc(ccc1F)-n1nnnc1[*:1]
C[C@@H]1CN(C(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CCO1 C1CC1c1nnnn1[*:1] C[C@@H]1CN(CCO1)C(=O)Nc1cc(ccc1F)[*:1]
COc1ccc(CC(=O)NNC(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)NNC(=O)N[*:1]
CCCCn1c(SCc2ccc3ccccc3n2)n[nH]c1=O CCCC[*:1] O=c1[nH]nc(SCc2ccc3ccccc3n2)n1[*:1]
CCCCn1c(SCc2ccc3ccccc3n2)n[nH]c1=O CCC[*:1] O=c1[nH]nc(SCc2ccc3ccccc3n2)n1C[*:1]
CCNC(=O)c1cc(S(=O)(=O)NCC)c(OC)cc1OC CCNS(=O)(=O)[*:1] CCNC(=O)c1cc(c(cc1OC)OC)[*:1]
CCNC(=O)c1cc(S(=O)(=O)NCC)c(OC)cc1OC CCNC(=O)[*:1] CCNS(=O)(=O)c1cc(c(cc1OC)OC)[*:1]
O[C@@H](c1ccccc1)c1cc(Cl)ccc1NCc1nnc(C2CC2)o1 C1CC1c1nnc(o1)[*:1] O[C@@H](c1ccccc1)c1cc(Cl)ccc1NC[*:1]
O[C@@H](c1ccccc1)c1cc(Cl)ccc1NCc1nnc(C2CC2)o1 O[C@@H](c1ccccc1)[*:1] Clc1ccc(NCc2nnc(o2)C2CC2)c(c1)[*:1]
O[C@@H](c1ccccc1)c1cc(Cl)ccc1NCc1nnc(C2CC2)o1 c1ccc(cc1)[*:1] O[C@@H](c1cc(Cl)ccc1NCc1nnc(o1)C1CC1)[*:1]
O[C@@H](c1ccccc1)c1cc(Cl)ccc1NCc1nnc(C2CC2)o1 C1CC1[*:1] O[C@@H](c1ccccc1)c1cc(Cl)ccc1NCc1nnc(o1)[*:1]
CCCCc1cnc2c(c1SCc1ccc(C)cc1)c(=O)n(C)c(=O)n2C Cc1ccc(cc1)[*:1] CCCCc1cnc2c(c1SC[*:1])c(=O)n(C)c(=O)n2C
CCCCc1cnc2c(c1SCc1ccc(C)cc1)c(=O)n(C)c(=O)n2C CCCC[*:1] Cc1ccc(cc1)CSc1c(cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
CCCCc1cnc2c(c1SCc1ccc(C)cc1)c(=O)n(C)c(=O)n2C Cc1ccc(cc1)C[*:1] CCCCc1cnc2c(c1S[*:1])c(=O)n(C)c(=O)n2C
CCCCc1cnc2c(c1SCc1ccc(C)cc1)c(=O)n(C)c(=O)n2C Cc1ccc(cc1)CS[*:1] CCCCc1cnc2c(c1[*:1])c(=O)n(C)c(=O)n2C
CCCCc1cnc2c(c1SCc1ccc(C)cc1)c(=O)n(C)c(=O)n2C CCC[*:1] Cc1ccc(cc1)CSc1c(cnc2c1c(=O)n(C)c(=O)n2C)C[*:1]
CCc1cccc(C(=O)NCc2n[nH]c(=S)n2C(C)C)c1O CC(C)[*:1] CCc1cccc(C(=O)NCc2n[nH]c(=S)n2[*:1])c1O
CC(C)SCc1cn2cc(Br)ccc2n1 CC(C)S[*:1] Brc1ccc2nc(cn2c1)C[*:1]
CC(C)SCc1cn2cc(Br)ccc2n1 CC(C)[*:1] Brc1ccc2nc(cn2c1)CS[*:1]
CC(C)SCc1cn2cc(Br)ccc2n1 CC(C)SC[*:1] Brc1ccc2nc(cn2c1)[*:1]
CCOc1ccccc1C(=O)Nc1ccc(C)c(F)c1 CCO[*:1] Cc1ccc(cc1F)NC(=O)c1ccccc1[*:1]
CC(C)CC1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)C1 c1cncc(c1)[*:1] CC(C)CC1C[C@@](O)(N(N=1)C(=O)[*:1])C(F)(F)F
CC(C)CC1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)C1 CC(C)C[*:1] O=C(c1cccnc1)N1N=C(C[C@]1(O)C(F)(F)F)[*:1]
CC(C)CC1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)C1 CC(C)[*:1] O=C(c1cccnc1)N1N=C(C[C@]1(O)C(F)(F)F)C[*:1]
CC(C)CC1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CC(C)CC1C[C@](O)(N(N=1)C(=O)c1cccnc1)[*:1]
C[C@H]1C[C@H](C)C[NH+](C[C@@H](C)CS)C1 C[C@@H](CS)[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C[*:1]
COc1ccc([C@@H](O)[C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)[NH2+][C@@H](C)[*:1]
CC(C)[C@@H](CO)NC(=O)CNC(=O)c1ccccc1 CC(C)[C@@H](CO)[*:1] O=C(CNC(=O)c1ccccc1)N[*:1]
CC(C)[C@@H](CO)NC(=O)CNC(=O)c1ccccc1 CC(C)[*:1] O=C(CNC(=O)c1ccccc1)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](CO)NC(=O)CNC(=O)[*:1]
O=S(=O)(NCCO)c1ccc(Cl)cc1 OCC[*:1] O=S(=O)(N[*:1])c1ccc(Cl)cc1
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O O=C([O-])[*:1] O=S(=O)(Nc1cccc(Cl)c1)c1ccc(O)c(c1)[*:1]
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O Clc1cccc(c1)[*:1] O=C([O-])c1cc(ccc1O)S(=O)(=O)N[*:1]
Cc1cnn(CC[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 Cc1cnn(c1)[*:1] Cc1cc2ncn(C[C@H](O)C[NH2+]CC[*:1])c2cc1C
Cc1cnn(CC[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 Cc1cnn(c1)C[*:1] Cc1cc2ncn(C[C@H](O)C[NH2+]C[*:1])c2cc1C
Cc1cnn(CC[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 Cc1cnn(c1)CC[*:1] Cc1cc2ncn(C[C@H](O)C[NH2+][*:1])c2cc1C
C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc(-c2ccccc2)c[nH]1 c1ccc(cc1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc(c[nH]1)[*:1]
COCCN(C)C(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] COCCN(C)C(=O)C(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
COCCN(C)C(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 COC[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2[nH]c(nc2c1)C(F)F
COCCN(C)C(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 COCC[*:1] CN(C(=O)C(=O)Nc1ccc2[nH]c(nc2c1)C(F)F)[*:1]
Cc1c(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)NC[*:1]
Cc1c(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1ccccc1C(=O)NCc1ccccc1
Cc1c(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cccc1[N+](=O)[O-] c1ccc(cc1)C[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N[*:1]
CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cn(C)cn1 Cn1cnc(c1)[*:1] CCN(Cc1ccc2OCOc2c1)S(=O)(=O)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCCCC1 CC(C)[*:1] C[C@H]1CC[C@@H]([C@@H](C1)OC[C@H](O)C[NH+]1CCCCC1)[*:1]
NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)Cc2cccc(Cl)c2)CC1 NC(=O)[*:1] O=C(Cc1cccc(Cl)c1)N1CCC(CC1)c1nc2ccccc2cc1[*:1]
NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] NC(=O)c1cc2ccccc2nc1C1CCN(CC1)C(=O)[*:1]
NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] NC(=O)c1cc2ccccc2nc1C1CCN(CC1)C(=O)C[*:1]
O=C(CSc1ccc(Cl)cc1)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(CSc1ccc(Cl)cc1)NC[C@@H]1CCCN(C1)[*:1]
O=C(CSc1ccc(Cl)cc1)NC[C@@H]1CCCN(c2ncccn2)C1 Clc1ccc(cc1)S[*:1] O=C(C[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
O=C(CSc1ccc(Cl)cc1)NC[C@@H]1CCCN(c2ncccn2)C1 Clc1ccc(cc1)[*:1] O=C(CS[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(C2CC2)on1 C1CC1[*:1] COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(on1)[*:1]
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(C2CC2)on1 COC(=O)[*:1] O=C(c1cc(on1)C1CC1)N1Cc2ccccc2C[C@@H]1[*:1]
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(C2CC2)on1 c1c(noc1C1CC1)[*:1] COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[*:1]
O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccc(-c3noc(C4CCCC4)n3)c[nH+]2)CC1 C1CCC(C1)[*:1] O=C([C@@H]1COc2ccccc2O1)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccc(-c3noc(C4CCCC4)n3)c[nH+]2)CC1 C1CCC(C1)c1nc(no1)[*:1] O=C([C@@H]1COc2ccccc2O1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccc(-c3noc(C4CCCC4)n3)c[nH+]2)CC1 c1ccc2O[C@@H](COc2c1)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C1CCCC1)[*:1]
C[C@H]1CN(Cc2csc(NC(=O)c3ccc(F)cc3F)n2)C[C@H](C)O1 Fc1ccc(c(F)c1)[*:1] C[C@H]1CN(Cc2csc(n2)NC(=O)[*:1])C[C@H](C)O1
CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1CCN(CC1)[*:1]
CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1CCN(c2ccccc2F)CC1 CNC(=O)[*:1] [NH3+][C@@H]1C[C@H](N(C1)C1CCN(CC1)c1ccccc1F)[*:1]
C[C@H](c1ccncc1)N(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H](c1ccncc1)N(C)C(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
C[C@H](c1ccncc1)N(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 c1cc(ccn1)[*:1] C[C@H](N(C)C(=O)c1cccc(c1)S(=O)(=O)N(C)c1ccccc1)[*:1]
COCc1nc(C)cc(NCc2cc(F)ccc2Br)n1 COC[*:1] Cc1cc(nc(n1)[*:1])NCc1cc(F)ccc1Br
CN(C)C(=O)CN1CCN(c2cccc(Cl)c2)C1=O CN(C)C(=O)[*:1] O=C1N(CCN1c1cccc(Cl)c1)C[*:1]
CN(C)C(=O)CN1CCN(c2cccc(Cl)c2)C1=O CN(C)C(=O)C[*:1] O=C1N(CCN1[*:1])c1cccc(Cl)c1
CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)s1)C1=C(CCCC1=O)N2 CCCS[*:1] Cc1ccc(s1)[C@H]1C2C(=O)CCCC=2Nc2nc([nH]c(=O)c21)[*:1]
CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)s1)C1=C(CCCC1=O)N2 Cc1ccc(s1)[*:1] CCCSc1nc2NC3CCCC(=O)C=3[C@H](c2c(=O)[nH]1)[*:1]
CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)s1)C1=C(CCCC1=O)N2 CCC[*:1] Cc1ccc(s1)[C@H]1C2C(=O)CCCC=2Nc2nc([nH]c(=O)c21)S[*:1]
CC(=O)Nc1nc2ccc(C(=O)N[C@@H](CO)CC(C)C)cc2s1 CC(C)C[C@H](CO)[*:1] CC(=O)Nc1nc2ccc(cc2s1)C(=O)N[*:1]
CC(=O)Nc1nc2ccc(C(=O)N[C@@H](CO)CC(C)C)cc2s1 CC(C)[*:1] CC(=O)Nc1nc2ccc(cc2s1)C(=O)N[C@@H](CO)C[*:1]
CC(=O)Nc1nc2ccc(C(=O)N[C@@H](CO)CC(C)C)cc2s1 CC(=O)N[*:1] CC(C)C[C@H](CO)NC(=O)c1ccc2nc(sc2c1)[*:1]
CC(=O)Nc1nc2ccc(C(=O)N[C@@H](CO)CC(C)C)cc2s1 CC(C)C[*:1] CC(=O)Nc1nc2ccc(cc2s1)C(=O)N[C@@H](CO)[*:1]
COCCN1Cc2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2C1=O COC[*:1] Cc1ccc(cc1Cl)NC(=O)c1cccc2CN(C[*:1])C(=O)c21
COCCN1Cc2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2C1=O COCC[*:1] Cc1ccc(cc1Cl)NC(=O)c1cccc2CN(C(=O)c21)[*:1]
COCCN1Cc2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2C1=O Cc1ccc(cc1Cl)[*:1] COCCN1Cc2cccc(C(=O)N[*:1])c2C1=O
O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CCc1nnc(o1)-c1ccccc1)Nc1ccccc1[*:1]
O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(CCc1nnc(o1)[*:1])Nc1ccccc1[N+](=O)[O-]
Cc1nc(C)n(CCNC(=O)[C@H]2OCOc3ccccc32)n1 Cc1nc(C)n(n1)[*:1] O=C(NCC[*:1])[C@H]1OCOc2ccccc21
C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccnn1Cc1ccc(Cl)cc1Cl Clc1ccc(C[*:1])c(Cl)c1 O=C(Cc1csc(n1)N1CCCC1=O)Nc1ccnn1[*:1]
O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccnn1Cc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(Cc1csc(n1)N1CCCC1=O)Nc1ccnn1C[*:1]
O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccnn1Cc1ccc(Cl)cc1Cl O=C1CCCN1[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccnn1Cc1ccc(Cl)cc1Cl
CCOc1ccc2nc([C@@H]3Cc4[nH]cnc4C[NH2+]3)sc2c1 CCO[*:1] c1nc2C[NH2+][C@@H](Cc2[nH]1)c1nc2ccc(cc2s1)[*:1]
CCc1cc(N)cc(C)c1NC(=O)COc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1cc(N)cc(C)c1NC(=O)CO[*:1]
CC(C)(C)OC(=O)N(C1CC1)C1CC[NH+](CC[NH3+])CC1 CC(C)(C)[*:1] [NH3+]CC[NH+]1CCC(CC1)N(C(=O)O[*:1])C1CC1
CC(C)(C)OC(=O)N(C1CC1)C1CC[NH+](CC[NH3+])CC1 C1CC1[*:1] CC(C)(C)OC(=O)N(C1CC[NH+](CC[NH3+])CC1)[*:1]
CCc1ccsc1C(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 CCc1ccsc1[*:1] C[C@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)[*:1]
CCc1ccsc1C(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] CCc1ccsc1C(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
Cn1cc(C(=O)Nc2cccc(-c3nnnn3C)c2)cn1 Cn1nnnc1[*:1] Cn1cc(cn1)C(=O)Nc1cccc(c1)[*:1]
Cn1cc(C(=O)Nc2cccc(-c3nnnn3C)c2)cn1 Cn1cc(cn1)[*:1] Cn1nnnc1-c1cccc(c1)NC(=O)[*:1]
CC(C)N(C1CCC1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 CC(C)[*:1] O=c1[nH]c(=O)c2cc(ccc2[nH]1)S(=O)(=O)N(C1CCC1)[*:1]
CC(C)N(C1CCC1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 C1CC(C1)[*:1] CC(C)N(S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[*:1]
CCCC(=CC(=O)[C@H](C#N)c1ccccn1)CCC CCC[*:1] CCCC(=CC(=O)[C@H](C#N)c1ccccn1)[*:1]
CCCC(=CC(=O)[C@H](C#N)c1ccccn1)CCC c1ccc(nc1)[*:1] CCCC(=CC(=O)[C@H](C#N)[*:1])CCC
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccccc4C#N)CC3)CC2=O)cc1 N#Cc1ccccc1[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccccc4C#N)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccccc1NC(=O)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@H](Sc1nnc(NC(=O)Cc2cccs2)s1)c1ccccc1 c1csc(c1)C[*:1] C[C@H](Sc1nnc(NC(=O)[*:1])s1)c1ccccc1
C[C@H](Sc1nnc(NC(=O)Cc2cccs2)s1)c1ccccc1 c1csc(c1)[*:1] C[C@H](Sc1nnc(NC(=O)C[*:1])s1)c1ccccc1
C[C@H](Sc1nnc(NC(=O)Cc2cccs2)s1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(NC(=O)Cc2cccs2)s1)[*:1]
CC(=O)Nc1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc1 CC(=O)N[*:1] O=C(COc1ccc2cc(Br)ccc2c1)Nc1ccc(cc1)[*:1]
Nn1c(Cc2ccccc2F)nnc1SCC(=O)N1CCN(c2cccc[nH+]2)CC1 Fc1ccccc1[*:1] Nn1c(C[*:1])nnc1SCC(=O)N1CCN(CC1)c1cccc[nH+]1
Nn1c(Cc2ccccc2F)nnc1SCC(=O)N1CCN(c2cccc[nH+]2)CC1 Fc1ccccc1C[*:1] Nn1c(nnc1[*:1])SCC(=O)N1CCN(CC1)c1cccc[nH+]1
CCSc1nnc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)s1 CCSc1nnc(s1)[*:1] O=C(Cn1cnc(c1)S(=O)(=O)N1CCOCC1)N[*:1]
CCSc1nnc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)s1 CCS[*:1] O=C(Cn1cnc(c1)S(=O)(=O)N1CCOCC1)Nc1nnc(s1)[*:1]
CCC[C@@H](CS)COc1ccc([N+](=O)[O-])c(Cl)c1 CCC[*:1] O=[N+]([O-])c1ccc(cc1Cl)OC[C@H](CS)[*:1]
CCC[C@@H](CS)COc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] CCC[C@@H](CS)COc1ccc(c(Cl)c1)[*:1]
CCC[C@@H](CS)COc1ccc([N+](=O)[O-])c(Cl)c1 CCC[C@@H](CS)[*:1] O=[N+]([O-])c1ccc(cc1Cl)OC[*:1]
O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)C[NH+]1CCCCC1)c1ccc(cc1)[*:1]
CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 FC(F)(F)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(Cl)cc1[*:1]
N#Cc1ccccc1-c1ccc(CNC(=O)C2(C#N)CCCC2)cc1 N#CC1(CCCC1)[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)[*:1]
N#Cc1ccccc1-c1ccc(CNC(=O)C2(C#N)CCCC2)cc1 N#Cc1ccccc1[*:1] N#CC1(CCCC1)C(=O)NCc1ccc(cc1)[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(O)c(OC)c1 COC(=O)[*:1] COc1cc(cc(Cl)c1O)[C@@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
O=C(c1n[nH]c([O-])n1)N1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1n[nH]c([O-])n1)N1CCC(CC1)[*:1]
Cc1c(CC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c(=O)oc2c(C)c(O)ccc12 O=C([O-])[*:1] Cc1c(CC(=O)N2CCC(CC2)(c2ccccc2)[*:1])c(=O)oc2c(C)c(O)ccc12
Cc1c(CC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c(=O)oc2c(C)c(O)ccc12 c1ccc(cc1)[*:1] Cc1c(CC(=O)N2CCC(CC2)(C(=O)[O-])[*:1])c(=O)oc2c(C)c(O)ccc12
Cc1ccccc1C(=O)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1 O=S(=O)(c1ccccc1)[*:1] Cc1ccccc1C(=O)N1CCN(CC1)c1oc(nc1[*:1])-c1ccco1
Cc1ccccc1C(=O)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1 Cc1ccccc1[*:1] O=C(N1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccccc1)-c1ccco1)[*:1]
Cc1ccccc1C(=O)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)N1CCN(CC1)c1oc(nc1S(=O)(=O)[*:1])-c1ccco1
Cc1ccccc1C(=O)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1 c1coc(c1)[*:1] Cc1ccccc1C(=O)N1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccccc1)[*:1]
C#CCN1C(=O)N=C(N)[C@H]1c1cncn1C C#CC[*:1] Cn1cncc1[C@@H]1C(N)=NC(=O)N1[*:1]
CC(C)N(C(=O)CSc1nc2ncccn2n1)c1ccccc1 CC(C)[*:1] O=C(CSc1nc2ncccn2n1)N(c1ccccc1)[*:1]
CC(C)N(C(=O)CSc1nc2ncccn2n1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)CSc1nc2ncccn2n1)[*:1]
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] N#CC1=C(N)OC2CCCC(=O)C=2[C@@H]1c1cccc(c1)O[*:1]
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] N#CC1=C(N)OC2CCCC(=O)C=2[C@@H]1c1cccc(c1)[*:1]
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] N#CC1=C(N)OC2CCCC(=O)C=2[C@@H]1c1cccc(c1)OC[*:1]
O=C(c1ccncc1)N1CCC[NH+](Cc2nc3cc(F)ccc3o2)CC1 c1cc(ccn1)[*:1] O=C(N1CCC[NH+](CC1)Cc1nc2cc(F)ccc2o1)[*:1]
O=C(NCc1ccco1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 O=[N+]([O-])[*:1] O=C(NCc1ccco1)c1ccc(o1)-c1ccc(cc1Cl)[*:1]
O=C(NCc1ccco1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 c1coc(c1)C[*:1] O=C(N[*:1])c1ccc(o1)-c1ccc(cc1Cl)[N+](=O)[O-]
O=C(NCc1ccco1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 c1coc(c1)[*:1] O=C(NC[*:1])c1ccc(o1)-c1ccc(cc1Cl)[N+](=O)[O-]
O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(OCc2ccc(F)cc2)c1=O Fc1ccc(cc1)C[*:1] O=C(Nc1ncc(s1)[N+](=O)[O-])c1cccn(O[*:1])c1=O
O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(OCc2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] O=C(Nc1ncc(s1)[N+](=O)[O-])c1cccn(OC[*:1])c1=O
O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(OCc2ccc(F)cc2)c1=O O=[N+]([O-])c1cnc(s1)[*:1] O=C(N[*:1])c1cccn(OCc2ccc(F)cc2)c1=O
O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(OCc2ccc(F)cc2)c1=O O=[N+]([O-])[*:1] O=C(Nc1ncc(s1)[*:1])c1cccn(OCc2ccc(F)cc2)c1=O
C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC1 c1cc(ccn1)[*:1] C[C@@H](N1CCC(CC1)[NH2+][C@H]1[C@@H]2CCCC[C@@H]2C1(C)C)[*:1]
C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC1 C[C@@H](c1ccncc1)[*:1] CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]C1CCN(CC1)[*:1]
CN(CCC[NH+](C)C)Cc1ccc(C(=O)NN)cn1 NNC(=O)[*:1] CN(CCC[NH+](C)C)Cc1ccc(cn1)[*:1]
O=C(NCCO)C1CCN(C(=O)CNc2cnc3ccccn3c2=O)CC1 OCC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)CNc1cnc2ccccn2c1=O
O=C(NCCO)C1CCN(C(=O)CNc2cnc3ccccn3c2=O)CC1 O=C(NCCO)[*:1] O=C(CNc1cnc2ccccn2c1=O)N1CCC(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2cccc[n+]2[O-])CC1 [O-][n+]1ccccc1[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2cccc[n+]2[O-])CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)c1cccc[n+]1[O-])[*:1]
Cc1cc2n(n1)CCC(=O)N2[C@H](C)C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc2N(C(=O)CCn2n1)[C@H](C)C(=O)NC[*:1]
Cc1cc2n(n1)CCC(=O)N2[C@H](C)C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] Cc1cc2N(C(=O)CCn2n1)[C@H](C)C(=O)NCC[*:1]
Cc1cc2n(n1)CCC(=O)N2[C@H](C)C(=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1cc2N(C(=O)CCn2n1)[C@H](C)C(=O)N[*:1]
COc1cccc(C2=C[C@H](C(=O)NC[C@H](C)c3ccccc3)N=N2)c1 COc1cccc(c1)[*:1] C[C@@H](CNC(=O)[C@H]1C=C(N=N1)[*:1])c1ccccc1
COc1cccc(C2=C[C@H](C(=O)NC[C@H](C)c3ccccc3)N=N2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C1=C[C@@H](N=N1)C(=O)NC[C@H](C)[*:1]
COc1cccc(C2=C[C@H](C(=O)NC[C@H](C)c3ccccc3)N=N2)c1 C[C@H](c1ccccc1)[*:1] COc1cccc(c1)C1=C[C@@H](N=N1)C(=O)NC[*:1]
COc1ccc(CCNC(=O)c2cccn2C)cc1 Cn1cccc1[*:1] COc1ccc(cc1)CCNC(=O)[*:1]
[NH3+][C@@H](CCOc1ccccc1)[C@@H]1CCc2cccnc21 c1ccc(cc1)[*:1] [NH3+][C@@H](CCO[*:1])[C@@H]1CCc2cccnc21
CCCOc1ccc(N2C(=O)C[C@H](N(CCC)C(C)=O)C2=O)cc1 CCC[*:1] CCCN(C(C)=O)[C@H]1CC(=O)N(C1=O)c1ccc(cc1)O[*:1]
CCCOc1ccc(N2C(=O)C[C@H](N(CCC)C(C)=O)C2=O)cc1 CCCN(C(C)=O)[*:1] CCCOc1ccc(cc1)N1C(=O)C[C@H](C1=O)[*:1]
CCCOc1ccc(N2C(=O)C[C@H](N(CCC)C(C)=O)C2=O)cc1 CCC[*:1] CCCOc1ccc(cc1)N1C(=O)C[C@@H](C1=O)N(C(C)=O)[*:1]
CCCOc1ccc(N2C(=O)C[C@H](N(CCC)C(C)=O)C2=O)cc1 CCCO[*:1] CCCN(C(C)=O)[C@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
CC(C)CN1C(=O)C(=O)N(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1=O CC(C)[*:1] O=C1C(=O)N(C[*:1])C(=O)N1CC(=O)N(Cc1cccs1)c1ccc2OCCOc2c1
CC(C)CN1C(=O)C(=O)N(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1=O CC(C)C[*:1] O=C1C(=O)N(C(=O)N1CC(=O)N(Cc1cccs1)c1ccc2OCCOc2c1)[*:1]
CC(C)CN1C(=O)C(=O)N(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1=O c1csc(c1)C[*:1] CC(C)CN1C(=O)C(=O)N(CC(=O)N(c2ccc3OCCOc3c2)[*:1])C1=O
CC(C)CN1C(=O)C(=O)N(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1=O c1csc(c1)[*:1] CC(C)CN1C(=O)C(=O)N(CC(=O)N(C[*:1])c2ccc3OCCOc3c2)C1=O
CC(C)CN1C(=O)C(=O)N(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1=O c1cc2OCCOc2cc1[*:1] CC(C)CN1C(=O)C(=O)N(CC(=O)N(Cc2cccs2)[*:1])C1=O
COc1ccccc1C(C)(C)[NH2+]C1CCCC1 C1CCC(C1)[*:1] COc1ccccc1C(C)(C)[NH2+][*:1]
CNC(=O)CCNCc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] CNC(=O)CCNCc1ccc(c(F)c1)[*:1]
CNC(=O)CCNCc1ccc([N+](=O)[O-])c(F)c1 CNC(=O)C[*:1] O=[N+]([O-])c1ccc(cc1F)CNC[*:1]
CNC(=O)CCNCc1ccc([N+](=O)[O-])c(F)c1 CNC(=O)CC[*:1] O=[N+]([O-])c1ccc(cc1F)CN[*:1]
CNC(=O)CCNCc1ccc([N+](=O)[O-])c(F)c1 CNC(=O)[*:1] O=[N+]([O-])c1ccc(cc1F)CNCC[*:1]
O=C(Cc1cccc2ccccc12)Nc1ccc(C(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] O=C(Cc1cccc2ccccc12)Nc1ccc(cc1)C(=O)N[*:1]
O=C(Cc1cccc2ccccc12)Nc1ccc(C(=O)Nc2nccs2)cc1 O=C(Nc1nccs1)[*:1] O=C(Cc1cccc2ccccc12)Nc1ccc(cc1)[*:1]
CCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1 c1cncc(c1)[*:1] CCN(C[C@H]1CCCO1)C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)[*:1]
COc1ccc(C2(NC(=O)c3nc4nc(C)cc(C(F)F)n4n3)CCCCC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C(F)F)n2nc(nc2n1)C(=O)NC1(CCCCC1)[*:1]
COc1ccc(C2(NC(=O)c3nc4nc(C)cc(C(F)F)n4n3)CCCCC2)cc1 FC(F)[*:1] COc1ccc(cc1)C1(CCCCC1)NC(=O)c1nc2nc(C)cc(n2n1)[*:1]
CC(C)(C)OC(=O)NCCNC(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 CC(C)(C)OC(=O)N[*:1] O=C(NCC[*:1])N[C@@H]1C[C@H]2CCCc3cccc1c32
CC(C)(C)OC(=O)NCCNC(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 CC(C)(C)[*:1] O=C(NCCNC(=O)O[*:1])N[C@@H]1C[C@H]2CCCc3cccc1c32
Oc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC2)cc1 Oc1ccc(cc1)[*:1] O[C@H](CN1CCN(CC1)[*:1])c1ccc2OCCOc2c1
COC(=O)Cc1ccccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 COC(=O)C[*:1] O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccccc1[*:1]
COC(=O)Cc1ccccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 COC(=O)[*:1] O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccccc1C[*:1]
CC[NH2+][C@]1(CO)CCC[C@@H]1CCSc1cnn(C)c1 Cn1cc(cn1)[*:1] CC[NH2+][C@]1(CO)CCC[C@@H]1CCS[*:1]
COc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccccc1 O=C(N1CCCC1)[*:1] COc1ccccc1N(C[*:1])S(=O)(=O)c1ccccc1
COc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)[*:1]
COc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccccc1 COc1ccccc1[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])N1CCCC1
COc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccccc1 O=C(C[*:1])N1CCCC1 COc1ccccc1N(S(=O)(=O)c1ccccc1)[*:1]
COc1cccc2cc([C@H](C)NC(=O)Nc3nc(C)cs3)oc12 Cc1csc(n1)[*:1] COc1cccc2cc(oc12)[C@H](C)NC(=O)N[*:1]
CCNC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 c1coc(c1)C[*:1] CCNC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1[*:1]
CCNC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 CCNC(=O)NC(=O)C[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nnc(S[*:1])n1Cc1ccco1
CCNC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 CCNC(=O)NC(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nnc(SC[*:1])n1Cc1ccco1
CCNC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 c1coc(c1)[*:1] CCNC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1C[*:1]
CCCCC[C@@H](C)NC(=O)NCc1cccc(F)c1 CCC[*:1] C[C@H](CC[*:1])NC(=O)NCc1cccc(F)c1
CCCCC[C@@H](C)NC(=O)NCc1cccc(F)c1 CCCCC[*:1] C[C@@H](NC(=O)NCc1cccc(F)c1)[*:1]
CCCCC[C@@H](C)NC(=O)NCc1cccc(F)c1 CCCC[*:1] C[C@H](C[*:1])NC(=O)NCc1cccc(F)c1
O=C(CSc1n[nH]c(N/N=C/c2cccc(Cl)c2)n1)Nc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1cccc(Cl)c1)N[*:1]
O=C(CSc1n[nH]c(N/N=C/c2cccc(Cl)c2)n1)Nc1c(Cl)cccc1Cl Clc1cccc(c1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])Nc1c(Cl)cccc1Cl
Cc1cccc(OCCCCC(=O)N2CCS(=O)(=O)CC2)c1 Cc1cccc(c1)[*:1] O=C(CCCCO[*:1])N1CCS(=O)(=O)CC1
C/C(=N/NC(N)=[NH2+])c1ccc(N2CCOCC2)cc1 C1CN(CCO1)[*:1] C/C(=N/NC(N)=[NH2+])c1ccc(cc1)[*:1]
C[C@@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](NC(=O)C1CCN(CC1)C1=NS(=O)(=O)c2ccccc21)[*:1]
C[C@@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(F)c(F)c1 C[C@@H](c1ccc(F)c(F)c1)[*:1] O=C(N[*:1])C1CCN(CC1)C1=NS(=O)(=O)c2ccccc21
CC(C)[NH+]1CCC(NC(=O)OC(C)(C)C)(C(=O)[O-])CC1 CC(C)[*:1] CC(C)(C)OC(=O)NC1(CC[NH+](CC1)[*:1])C(=O)[O-]
CC(C)[NH+]1CCC(NC(=O)OC(C)(C)C)(C(=O)[O-])CC1 CC(C)(C)[*:1] CC(C)[NH+]1CCC(CC1)(NC(=O)O[*:1])C(=O)[O-]
CC(C)[NH+]1CCC(NC(=O)OC(C)(C)C)(C(=O)[O-])CC1 O=C([O-])[*:1] CC(C)[NH+]1CCC(CC1)(NC(=O)OC(C)(C)C)[*:1]
CCC[C@@H]1CN(C(=O)c2ncoc2[C@@H]2CCCO2)CCO1 C1CO[C@@H](C1)[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1ncoc1[*:1]
CCC[C@@H]1CN(C(=O)c2ncoc2[C@@H]2CCCO2)CCO1 CCC[*:1] O=C(c1ncoc1[C@@H]1CCCO1)N1CCO[C@@H](C1)[*:1]
COc1ccccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 Clc1cnn(c1)C[*:1] COc1ccccc1NC(=O)c1ccc(cc1)[*:1]
COc1ccccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 COc1ccccc1[*:1] O=C(N[*:1])c1ccc(cc1)Cn1cc(Cl)cn1
COc1ccccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 Clc1cnn(c1)[*:1] COc1ccccc1NC(=O)c1ccc(cc1)C[*:1]
CC[C@H](COC)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 COC[*:1] CC[C@H](NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)[*:1]
CC[C@H](COC)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 c1ccc(cc1)[*:1] CC[C@H](COC)NC(=O)c1cc2c(C)nn(c2s1)[*:1]
Cc1nc2c(C(=O)Nc3ccc4c(c3)OCCO4)nc(-c3ccco3)cc2n1[C@H]1CCS(=O)(=O)C1 c1cc2OCCOc2cc1[*:1] Cc1nc2c(nc(cc2n1[C@H]1CCS(=O)(=O)C1)-c1ccco1)C(=O)N[*:1]
Cc1nc2c(C(=O)Nc3ccc4c(c3)OCCO4)nc(-c3ccco3)cc2n1[C@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] Cc1nc2c(nc(cc2n1[C@H]1CCS(=O)(=O)C1)[*:1])C(=O)Nc1ccc2OCCOc2c1
CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CC[NH+](CC1)[*:1]
CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CC[NH+](CC(C)C)CC1 CC(C)[*:1] CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CC[NH+](CC1)C[*:1]
CC(=O)NCc1ccc(C(=O)N2CCN(c3ncccc3F)CC2)s1 CC(=O)NC[*:1] O=C(c1ccc(s1)[*:1])N1CCN(CC1)c1ncccc1F
CC(=O)NCc1ccc(C(=O)N2CCN(c3ncccc3F)CC2)s1 CC(=O)N[*:1] O=C(c1ccc(C[*:1])s1)N1CCN(CC1)c1ncccc1F
CC(=O)NCc1ccc(C(=O)N2CCN(c3ncccc3F)CC2)s1 Fc1cccnc1[*:1] CC(=O)NCc1ccc(s1)C(=O)N1CCN(CC1)[*:1]
O=C1[C@@H](Cc2ccc(OCc3ccccc3)cc2)NC(=S)N1c1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@@H](Cc2ccc(cc2)O[*:1])NC(=S)N1c1ccccc1
O=C1[C@@H](Cc2ccc(OCc3ccccc3)cc2)NC(=S)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](Cc2ccc(cc2)OCc2ccccc2)NC(=S)N1[*:1]
O=C1[C@@H](Cc2ccc(OCc3ccccc3)cc2)NC(=S)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](Cc2ccc(cc2)OC[*:1])NC(=S)N1c1ccccc1
O=C1[C@@H](Cc2ccc(OCc3ccccc3)cc2)NC(=S)N1c1ccccc1 c1ccc(cc1)CO[*:1] O=C1[C@@H](Cc2ccc(cc2)[*:1])NC(=S)N1c1ccccc1
CC(C)(C)c1nc(CNc2ccc(OC(F)F)cn2)no1 FC(F)O[*:1] CC(C)(C)c1nc(CNc2ccc(cn2)[*:1])no1
CC(C)(C)c1nc(CNc2ccc(OC(F)F)cn2)no1 CC(C)(C)[*:1] FC(F)Oc1ccc(nc1)NCc1noc(n1)[*:1]
CC(C)(C)c1nc(CNc2ccc(OC(F)F)cn2)no1 FC(F)[*:1] CC(C)(C)c1nc(CNc2ccc(cn2)O[*:1])no1
CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)Cc1cccs1 c1csc(c1)[*:1] CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)Cc1cccs1 CCS(=O)(=O)[*:1] O=C(Cc1cccs1)Nc1cc(Cl)ccc1[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)Cc1cccs1 c1csc(c1)C[*:1] CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)[*:1]
CN(C)C(=O)N1CCC(C(=O)N2CCO[C@H](Cc3cccc4ccccc34)C2)CC1 c1ccc2c(cccc2c1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N1CCO[C@@H](C1)C[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)NCC1(C)Cc2ccccc2C1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)NCC1(C)Cc2ccccc2C1)[*:1]
COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(C)cc2)c1 Cc1ccc(cc1)NC(=O)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1[*:1]
COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(C)cc2)c1 COc1ccc(OC)c(c1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
CC[C@H](COC)[NH2+][C@H]1CCc2nc(COC)nn2C1 COC[*:1] CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)[*:1]
CC[C@H](COC)[NH2+][C@H]1CCc2nc(COC)nn2C1 COC[*:1] CC[C@H](COC)[NH2+][C@H]1CCc2nc(nn2C1)[*:1]
CC[C@H](COC)[NH2+][C@H]1CCc2nc(COC)nn2C1 CC[C@H](COC)[*:1] COCc1nc2CC[C@@H](Cn2n1)[NH2+][*:1]
O=C(Cc1nc(-c2ccncc2)n[nH]1)N1CCC[C@H]1c1ccccn1 c1cc(ccn1)[*:1] O=C(Cc1nc(n[nH]1)[*:1])N1CCC[C@H]1c1ccccn1
O=C(Cc1nc(-c2ccncc2)n[nH]1)N1CCC[C@H]1c1ccccn1 c1ccc(nc1)[*:1] O=C(Cc1nc(n[nH]1)-c1ccncc1)N1CCC[C@@H]1[*:1]
O=C(C=C(C1CC1)C1CC1)Nc1cccnc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(C=C(C1CC1)C1CC1)Nc1cccnc1[*:1]
O=C(C=C(C1CC1)C1CC1)Nc1cccnc1N1CCCCC1 C1CC1[*:1] O=C(C=C(C1CC1)[*:1])Nc1cccnc1N1CCCCC1
CC(=O)[C@H](C[C@@H]1COc2ccccc21)C(C)C CC(C)[*:1] CC(=O)[C@H](C[C@@H]1COc2ccccc21)[*:1]
CC(=O)[C@H](C[C@@H]1COc2ccccc21)C(C)C CC(=O)[*:1] CC(C)[C@@H](C[C@@H]1COc2ccccc21)[*:1]
C=CCN(C(=O)OCCO)C1CCCC1 OCC[*:1] C=CCN(C(=O)O[*:1])C1CCCC1
C=CCN(C(=O)OCCO)C1CCCC1 C=CC[*:1] O=C(OCCO)N(C1CCCC1)[*:1]
C=CCN(C(=O)OCCO)C1CCCC1 C1CCC(C1)[*:1] C=CCN(C(=O)OCCO)[*:1]
C#C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O CC(C)(C)[*:1] C#C[C@H]1CN(C[C@@H]1O)C(=O)O[*:1]
COc1ccccc1[C@H](NC(=O)Cc1c(C)noc1C)c1ccccn1 Cc1noc(C)c1[*:1] COc1ccccc1[C@H](NC(=O)C[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)Cc1c(C)noc1C)c1ccccn1 COc1ccccc1[*:1] Cc1noc(C)c1CC(=O)N[C@H](c1ccccn1)[*:1]
COc1ccccc1[C@H](NC(=O)Cc1c(C)noc1C)c1ccccn1 Cc1noc(C)c1C[*:1] COc1ccccc1[C@H](NC(=O)[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)Cc1c(C)noc1C)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)Cc1c(C)noc1C)[*:1]
C[C@H]1CCCN(S(=O)(=O)N2CCN(c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)N1CCN(CC1)[*:1]
NC(=O)c1ccsc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 O=C(N1CCCCC1)[*:1] NC(=O)c1ccsc1NC(=O)CN1C[C@H](Oc2ccccc21)[*:1]
NC(=O)c1ccsc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 NC(=O)c1ccsc1[*:1] O=C(CN1C[C@@H](Oc2ccccc21)C(=O)N1CCCCC1)N[*:1]
NC(=O)c1ccsc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 NC(=O)[*:1] O=C(CN1C[C@@H](Oc2ccccc21)C(=O)N1CCCCC1)Nc1sccc1[*:1]
NS(=O)(=O)c1ccc(CNc2nc(C[NH+]3CCCCC3)nc3sc4c(c23)CCC4)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] C1CC[NH+](CC1)Cc1nc(NC[*:1])c2c3CCCc3sc2n1
NS(=O)(=O)c1ccc(CNc2nc(C[NH+]3CCCCC3)nc3sc4c(c23)CCC4)cc1 NS(=O)(=O)[*:1] c1cc(ccc1CNc1nc(C[NH+]2CCCCC2)nc2sc3CCCc3c12)[*:1]
COC(=O)c1cccc(N(C)Cc2ccc(C(F)(F)F)cc2)n1 COC(=O)[*:1] CN(Cc1ccc(cc1)C(F)(F)F)c1cccc(n1)[*:1]
COC(=O)c1cccc(N(C)Cc2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] COC(=O)c1cccc(n1)N(C)Cc1ccc(cc1)[*:1]
COc1ccc(C2(CNS(=O)(=O)/C=C/c3ccccc3)CCOCC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(/C=C/c1ccccc1)NCC1(CCOCC1)[*:1]
COc1ccc(C2(CNS(=O)(=O)/C=C/c3ccccc3)CCOCC2)cc1 C(=C[*:1])c1ccccc1 COc1ccc(cc1)C1(CCOCC1)CNS(=O)(=O)[*:1]
COc1ccc(C2(CNS(=O)(=O)/C=C/c3ccccc3)CCOCC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1(CCOCC1)CNS(=O)(=O)C=C[*:1]
CC(C)(C)OCc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)CO[*:1])[C@H]1C[C@@H]1[N+](=O)[O-]
CC(C)(C)OCc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)[C@H]1C[C@H]1[*:1]
CC(C)(C)OCc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1 CC(C)(C)OC[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1C[C@@H]1[N+](=O)[O-]
CC(C)(C)OCc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1 CC(C)(C)O[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@H]1C[C@@H]1[N+](=O)[O-]
C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(c1)[*:1]
CCc1cccc2c(SC#N)c[nH]c12 N#CS[*:1] CCc1cccc2c(c[nH]c12)[*:1]
COC[C@@H](O)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 COC[C@@H](O)[*:1] O=C(NC[*:1])Nc1ccn(n1)-c1ccc(Cl)cc1Cl
COC[C@@H](O)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 COC[C@@H](O)C[*:1] O=C(Nc1ccn(n1)-c1ccc(Cl)cc1Cl)N[*:1]
COC[C@@H](O)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 COC[*:1] O=C(NC[C@H](O)[*:1])Nc1ccn(n1)-c1ccc(Cl)cc1Cl
Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)C(C)C)CC2)c1 CC(C)C(=O)N[*:1] Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)CC[*:1]
Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)C(C)C)CC2)c1 Cc1cccc(c1)[*:1] CC(C)C(=O)NCCS(=O)(=O)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)C(C)C)CC2)c1 CC(C)C(=O)NCC[*:1] Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)C(C)C)CC2)c1 CC(C)C(=O)NC[*:1] Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)C[*:1]
Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)C(C)C)CC2)c1 CC(C)[*:1] Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)CCNC(=O)[*:1]
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[NH+](CC1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[NH+](CC(C)C)CC1 Cc1ccccc1[*:1] CC(C)C[NH+]1CCN(CC1)[C@@H](C)C(=O)N[C@@H](C)[*:1]
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[NH+](CC(C)C)CC1 CC(C)[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[NH+](CC1)C[*:1]
O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1ccccc1Cl O=C1NC(=O)C(=C[*:1])S1 O=C(COc1ccc(cc1)[*:1])Nc1ccccc1Cl
O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)N[*:1]
C[C@H]1CCC[C@H](CC(=O)N2CCC[C@H](c3n[nH]c(=S)n3C)C2)C1 C[C@H]1CCC[C@H](C1)[*:1] Cn1c(n[nH]c1=S)[C@H]1CCCN(C1)C(=O)C[*:1]
C[C@H]1CCC[C@H](CC(=O)N2CCC[C@H](c3n[nH]c(=S)n3C)C2)C1 Cn1c(n[nH]c1=S)[*:1] C[C@H]1CCC[C@H](CC(=O)N2CCC[C@H](C2)[*:1])C1
Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C(C)C C1CN(CCO1)C[*:1] Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(n2C(C)C)[*:1]
Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C(C)C Cc1ccccc1[*:1] CC(C)n1c(CN2CCOCC2)nc2cc(ccc21)NC(=O)[*:1]
Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C(C)C C1CN(CCO1)[*:1] Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(C[*:1])n2C(C)C
Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C(C)C CC(C)[*:1] Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2[*:1]
COCCNc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 COCC[*:1] C1CCc2c(C1)sc1nc(CN3CCOCC3)nc(N[*:1])c21
COCCNc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 COC[*:1] C1CCc2c(C1)sc1nc(CN3CCOCC3)nc(NC[*:1])c21
COCCNc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 COCCN[*:1] C1CCc2c(C1)sc1nc(CN3CCOCC3)nc(c21)[*:1]
COCCNc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 C1CN(CCO1)[*:1] COCCNc1nc(C[*:1])nc2sc3CCCCc3c12
COCCNc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 C1CN(CCO1)C[*:1] COCCNc1nc(nc2sc3CCCCc3c12)[*:1]
C[C@H]1C(=O)NCCN1C(=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C(=O)NCCN1C(=O)C(c1ccccc1)[*:1]
O=[N+]([O-])c1c([O-])ccc2c1CCCC2 O=[N+]([O-])[*:1] [O-]c1ccc2CCCCc2c1[*:1]
Cc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C[NH2+]C(c1ccccc1)[*:1]
Cc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(C[NH2+]C(c1ccccc1)c1ccccc1)N[*:1]
Cc1ccc(N2C(=O)CC[C@H](C(=O)N(C)Cc3ccc(C)o3)[C@H]2c2cccs2)cc1 Cc1ccc(C[*:1])o1 Cc1ccc(cc1)N1C(=O)CC[C@H](C(=O)N(C)[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)CC[C@H](C(=O)N(C)Cc3ccc(C)o3)[C@H]2c2cccs2)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)N1C(=O)CC[C@H](C(=O)N(C)C[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)CC[C@H](C(=O)N(C)Cc3ccc(C)o3)[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)CC[C@H](C(=O)N(C)Cc2ccc(C)o2)[C@@H]1[*:1]
Cc1ccc(N2C(=O)CC[C@H](C(=O)N(C)Cc3ccc(C)o3)[C@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(CN(C)C(=O)[C@H]2CCC(=O)N([C@@H]2c2cccs2)[*:1])o1
CO[C@H](C)c1nc(C2CC2)c(Br)c(=O)[nH]1 CO[C@H](C)[*:1] O=c1[nH]c(nc(c1Br)C1CC1)[*:1]
CO[C@H](C)c1nc(C2CC2)c(Br)c(=O)[nH]1 C1CC1[*:1] CO[C@H](C)c1nc(c(Br)c(=O)[nH]1)[*:1]
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)c1C O=C([O-])[*:1] Cc1cc(cc(c1C)S(=O)(=O)NNC(=O)c1c[nH]c2ccccc12)[*:1]
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)c1C c1ccc2c(c[nH]c2c1)[*:1] Cc1cc(cc(c1C)S(=O)(=O)NNC(=O)[*:1])C(=O)[O-]
NC(=O)c1cnc(NCCN2C(=O)CCC2=O)c(Cl)c1 NC(=O)[*:1] O=C1CCC(=O)N1CCNc1ncc(cc1Cl)[*:1]
N#Cc1cnn(-c2ccc(C(=O)NC[C@H](c3c(F)cccc3Cl)[NH+]3CCCC3)cc2)c1N N#Cc1cnn(c1N)[*:1] O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc(cc1)[*:1]
N#Cc1cnn(-c2ccc(C(=O)NC[C@H](c3c(F)cccc3Cl)[NH+]3CCCC3)cc2)c1N Fc1cccc(Cl)c1[*:1] N#Cc1cnn(-c2ccc(cc2)C(=O)NC[C@H]([NH+]2CCCC2)[*:1])c1N
Cc1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n(-c2ccc(F)cc2)n1 O=C([O-])[*:1] Cc1cc(NC(=O)[C@H]2[C@@H](C2(C)C)[*:1])n(n1)-c1ccc(F)cc1
Cc1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n(n1)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[*:1]
Cc1ccc([C@H]2C=NN=C2[C@H]2CCCN(C[C@@H]3C=c4ccccc4=[NH+]3)C2)cc1 Cc1ccc(cc1)[*:1] C1=NN=C([C@H]2CCCN(C[C@@H]3C=c4ccccc4=[NH+]3)C2)[C@H]1[*:1]
C[NH+](C)[C@H]1CC[C@@H](NS(=O)(=O)c2cnn(Cc3ccccc3)c2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NS(=O)(=O)c1cnn(c1)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NS(=O)(=O)c2cnn(Cc3ccccc3)c2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NS(=O)(=O)c1cnn(c1)C[*:1]
Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH]/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cn1c(c[nH]/c1=N\C(=O)c1cccc(c1)[*:1])-c1cccc(c1)[N+](=O)[O-]
Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH]/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cn1c(c[nH]/c1=N\C(=O)c1cccc(c1)[N+](=O)[O-])-c1cccc(c1)[*:1]
Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH]/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] Cn1c(c[nH]/c1=N\C(=O)[*:1])-c1cccc(c1)[N+](=O)[O-]
Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH]/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] Cn1c(c[nH]/c1=N\C(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1[*:1]
CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(Br)cc1 CCOC(=O)[*:1] CC1=C([C@H](NC(=S)N1C)c1ccc(Br)cc1)[*:1]
CCc1sc([C@@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1C CNS(=O)(=O)[*:1] CCc1sc(cc1C)[C@@H](C)[NH2+][C@@H](C)c1cccc(c1)[*:1]
CCc1sc([C@@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1C CCc1sc(cc1C)[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)[NH2+][C@H](C)[*:1]
Cc1nc2ccccn2c1C(=O)NNC(=O)c1nc(-c2ccco2)sc1C c1coc(c1)[*:1] Cc1nc2ccccn2c1C(=O)NNC(=O)c1nc(sc1C)[*:1]
Cn1c(Sc2nc(C(F)(F)F)ccc2C(N)=[NH2+])n[nH]c1=O Cn1c(n[nH]c1=O)[*:1] NC(=[NH2+])c1ccc(nc1S[*:1])C(F)(F)F
Cn1c(Sc2nc(C(F)(F)F)ccc2C(N)=[NH2+])n[nH]c1=O NC(=[NH2+])[*:1] Cn1c(n[nH]c1=O)Sc1nc(ccc1[*:1])C(F)(F)F
Cn1c(Sc2nc(C(F)(F)F)ccc2C(N)=[NH2+])n[nH]c1=O FC(F)(F)[*:1] Cn1c(n[nH]c1=O)Sc1nc(ccc1C(N)=[NH2+])[*:1]
COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
C[NH+](C)CCCn1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 Brc1ccc(cc1)[*:1] C[NH+](C)CCCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(NC(=O)c3ccccc3F)c2)n1C O=C(N[*:1])c1ccccc1F Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(c2)[*:1])n1C
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(NC(=O)c3ccccc3F)c2)n1C Cc1cccc(C)c1NC(=O)[*:1] Cn1c(nnc1-c1cccc(c1)NC(=O)c1ccccc1F)SC[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(NC(=O)c3ccccc3F)c2)n1C Cc1cccc(C)c1[*:1] Cn1c(nnc1-c1cccc(c1)NC(=O)c1ccccc1F)SCC(=O)N[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(NC(=O)c3ccccc3F)c2)n1C Fc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(c2)NC(=O)[*:1])n1C
O=S1(=O)CCN2N=C(SCc3cccs3)SC2=N1 c1csc(c1)C[*:1] O=S1(=O)CCN2N=C(SC2=N1)S[*:1]
O=S1(=O)CCN2N=C(SCc3cccs3)SC2=N1 c1csc(c1)[*:1] O=S1(=O)CCN2N=C(SC[*:1])SC2=N1
Cc1n[nH]c(S[C@H]2CC[C@]([NH3+])(C(=O)[O-])C2)n1 O=C([O-])[*:1] Cc1n[nH]c(n1)S[C@H]1CC[C@]([NH3+])(C1)[*:1]
C=C(C)COC(=O)CC(C)=O C=C(C)[*:1] CC(=O)CC(=O)OC[*:1]
C=C(C)COC(=O)CC(C)=O CC(=O)[*:1] C=C(C)COC(=O)C[*:1]
CC(=O)Nc1cc(NC(=O)NCCc2c[nH]c3ccccc23)ccc1Cl CC(=O)N[*:1] O=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)c(c1)[*:1]
CCOc1ccc(N2C(=N)C3=C(C)N=NC3=N[C@H]2SCC(=O)N2CCC(C)CC2)cc1 CCO[*:1] CC1N=NC2=N[C@@H](SCC(=O)N3CCC(C)CC3)N(C(=N)C=12)c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=N)C3=C(C)N=NC3=N[C@H]2SCC(=O)N2CCC(C)CC2)cc1 CCOc1ccc(cc1)[*:1] CC1N=NC2=N[C@@H](SCC(=O)N3CCC(C)CC3)N(C(=N)C=12)[*:1]
CCOc1ccc(N2C(=N)C3=C(C)N=NC3=N[C@H]2SCC(=O)N2CCC(C)CC2)cc1 CC1CCN(CC1)C(=O)[*:1] CCOc1ccc(cc1)N1C(=N)C2C(N=NC=2C)=N[C@H]1SC[*:1]
CCOc1ccc(N2C(=N)C3=C(C)N=NC3=N[C@H]2SCC(=O)N2CCC(C)CC2)cc1 CC1CCN(CC1)C(=O)C[*:1] CCOc1ccc(cc1)N1C(=N)C2C(N=NC=2C)=N[C@H]1S[*:1]
CCOCCO[C@H](C)C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 Cc1cc(c(C)o1)[*:1] CCOCCO[C@H](C)C(=O)N1CCN(CC1)C(=O)[*:1]
CCOCCO[C@H](C)C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 CCOC[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)[C@@H](C)OC[*:1])c(C)o1
CCOCCO[C@H](C)C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 CCOCC[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)[C@@H](C)O[*:1])c(C)o1
CCOCCO[C@H](C)C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 CCOCCO[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)[C@@H](C)[*:1])c(C)o1
CCOCCO[C@H](C)C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 CCO[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)[C@@H](C)OCC[*:1])c(C)o1
CCn1c(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nc2ccccc2c1=O COc1ccc(cc1OC)[*:1] CCn1c(nc2ccccc2c1=O)SCc1csc(n1)[*:1]
COc1cccc(C(=O)Nc2nn3c(COc4ccccc4)nnc3s2)c1 COc1cccc(c1)[*:1] O=C(Nc1nn2c(COc3ccccc3)nnc2s1)[*:1]
COc1cccc(C(=O)Nc2nn3c(COc4ccccc4)nnc3s2)c1 c1ccc(cc1)O[*:1] COc1cccc(c1)C(=O)Nc1nn2c(C[*:1])nnc2s1
COc1cccc(C(=O)Nc2nn3c(COc4ccccc4)nnc3s2)c1 c1ccc(cc1)OC[*:1] COc1cccc(c1)C(=O)Nc1nn2c(nnc2s1)[*:1]
COc1cccc(C(=O)Nc2nn3c(COc4ccccc4)nnc3s2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)Nc1nn2c(CO[*:1])nnc2s1
CCc1cnc(CN(C)C(=O)C(=O)Nc2ccccc2)s1 CCc1cnc(s1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccccc1
CCc1cnc(CN(C)C(=O)C(=O)Nc2ccccc2)s1 c1ccc(cc1)[*:1] CCc1cnc(CN(C)C(=O)C(=O)N[*:1])s1
CCCc1n[nH]c([C@H]2CN(C(=O)CCn3cncn3)CCO2)n1 c1ncn(C[*:1])n1 CCCc1n[nH]c(n1)[C@H]1CN(CCO1)C(=O)C[*:1]
CCCc1n[nH]c([C@H]2CN(C(=O)CCn3cncn3)CCO2)n1 CCC[*:1] O=C(CCn1cncn1)N1CCO[C@H](C1)c1nc(n[nH]1)[*:1]
CCCc1n[nH]c([C@H]2CN(C(=O)CCn3cncn3)CCO2)n1 c1ncn(n1)[*:1] CCCc1n[nH]c(n1)[C@H]1CN(CCO1)C(=O)CC[*:1]
CCCc1n[nH]c([C@H]2CN(C(=O)CCn3cncn3)CCO2)n1 c1ncn(CC[*:1])n1 CCCc1n[nH]c(n1)[C@H]1CN(CCO1)C(=O)[*:1]
CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)NCc1ccc(C)cc1
CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccc(Br)cc1 Cc1ccc(cc1)[*:1] CCn1c(nnc1-c1ccc(Br)cc1)SCC(=O)NC[*:1]
CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccc(Br)cc1 Cc1ccc(cc1)C[*:1] CCn1c(nnc1-c1ccc(Br)cc1)SCC(=O)N[*:1]
CCOC(=O)CC[C@@H](C)Nc1c(Cl)cccc1C#N CCOC(=O)[*:1] C[C@H](CC[*:1])Nc1c(Cl)cccc1C#N
CCOC(=O)CC[C@@H](C)Nc1c(Cl)cccc1C#N CCOC(=O)C[*:1] C[C@H](C[*:1])Nc1c(Cl)cccc1C#N
C#CCN1CCN(C(=O)NCc2cccnc2)CC1 C#CC[*:1] O=C(NCc1cccnc1)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)NCc2cccnc2)CC1 c1cncc(c1)[*:1] C#CCN1CCN(CC1)C(=O)NC[*:1]
CC[C@@H]1C[N+]2=CNc3oc(C)c(C(=O)Nc4ccccc4OC)c3C2=N1 COc1ccccc1[*:1] CC[C@@H]1C[N+]2=CNc3oc(C)c(C(=O)N[*:1])c3C2=N1
COc1cc(NC(=O)C2CC2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC O=C(N[*:1])C1CC1 COc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c(cc1OC)[*:1]
COc1cc(NC(=O)C2CC2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC C1CC1[*:1] COc1cc(NC(=O)[*:1])c(cc1OC)C(=O)N1[C@@H](C)CCC[C@@H]1C
CCOc1ccccc1C(=O)N1CCN(c2c(C)nn(-c3ccccc3)c2C)CC1 c1ccc(cc1)[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)c1c(C)nn(c1C)[*:1]
CCOc1ccccc1C(=O)N1CCN(c2c(C)nn(-c3ccccc3)c2C)CC1 CCO[*:1] Cc1nn(-c2ccccc2)c(C)c1N1CCN(CC1)C(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)N1CCN(c2c(C)nn(-c3ccccc3)c2C)CC1 CCOc1ccccc1[*:1] Cc1nn(-c2ccccc2)c(C)c1N1CCN(CC1)C(=O)[*:1]
Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2CC(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1nc2ccccc2c(c1CC(=O)[O-])[*:1]
Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2CC(=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C([O-])Cc1c(nc2ccccc2c1C(=O)[O-])[*:1]
Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2CC(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1nc2ccccc2c(C(=O)[O-])c1C[*:1]
O=C(CCc1ccccc1)c1ccc2c(c1)OCCCO2 c1ccc(cc1)C[*:1] O=C(C[*:1])c1ccc2OCCCOc2c1
O=C(CCc1ccccc1)c1ccc2c(c1)OCCCO2 c1ccc(cc1)[*:1] O=C(CC[*:1])c1ccc2OCCCOc2c1
Cc1cc([N+](=O)[O-])ccc1NC(=O)CS(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)CS(=O)(=O)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)CS(=O)(=O)c1ccc(Br)cc1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)CS(=O)(=O)c1ccc(Br)cc1)[*:1]
CCOc1ccc(CC(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCC[C@@H](C1)c1cc(C(F)F)n2ncnc2n1
CCOc1ccc(CC(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 FC(F)[*:1] CCOc1ccc(cc1)CC(=O)N1CCC[C@@H](C1)c1cc(n2ncnc2n1)[*:1]
CCOc1ccc(CC(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 CCOc1ccc(cc1)C[*:1] O=C(N1CCC[C@@H](C1)c1cc(C(F)F)n2ncnc2n1)[*:1]
CCOc1ccc(CC(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 CCOc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1cc(C(F)F)n2ncnc2n1
CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCCN1CCOC1=O O=C1OCCN1C[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)CC[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCCN1CCOC1=O O=C1OCCN1[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)CCC[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)NNc1cc(C#N)cc(Cl)n1 CCC[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)[C@H]1CCCN1C(=O)[*:1]
COC[C@H](C)Nc1ncnc(N2CCCCC2)c1N COC[C@H](C)N[*:1] Nc1c(ncnc1[*:1])N1CCCCC1
COC[C@H](C)Nc1ncnc(N2CCCCC2)c1N C1CCN(CC1)[*:1] COC[C@H](C)Nc1ncnc(c1N)[*:1]
COC[C@H](C)Nc1ncnc(N2CCCCC2)c1N COC[C@H](C)[*:1] Nc1c(ncnc1N1CCCCC1)N[*:1]
COC[C@H](C)Nc1ncnc(N2CCCCC2)c1N COC[*:1] C[C@H](Nc1ncnc(c1N)N1CCCCC1)[*:1]
CCCN(CCC)C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 CCC[*:1] CCCN(C(=O)c1csc(n1)-c1ccc2OCCOc2c1)[*:1]
CC(C)c1cc(C(=O)NC2CC2)on1 CC(C)[*:1] O=C(NC1CC1)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)NC2CC2)on1 C1CC1[*:1] CC(C)c1cc(on1)C(=O)N[*:1]
CN(C)C(=O)c1ccc(CSc2ccc(C(=O)N3CCCC3)cn2)cc1 O=C(N1CCCC1)[*:1] CN(C)C(=O)c1ccc(cc1)CSc1ccc(cn1)[*:1]
CN(C)C(=O)c1ccc(CSc2ccc(C(=O)N3CCCC3)cn2)cc1 CN(C)C(=O)[*:1] O=C(c1ccc(nc1)SCc1ccc(cc1)[*:1])N1CCCC1
CCC[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCO1 CCC[*:1] Cn1nc(ccc1=O)C(=O)N1CCO[C@H](C1)[*:1]
CCc1nc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c[nH]1 CCc1nc(c[nH]1)[*:1] O=C(N1C[C@H](O)C[C@H]1c1cc(F)ccc1F)[*:1]
N#Cc1c(-c2cc(C[NH+]3CCCC3)cs2)cc(-c2ccco2)nc1N c1coc(c1)[*:1] N#Cc1c(cc(nc1N)[*:1])-c1cc(cs1)C[NH+]1CCCC1
O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NCCCO O=C(NCCCO)[*:1] O=c1oc2cc(OC[*:1])c(Cl)cc2c2CCCc21
O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NCCCO O=C(C[*:1])NCCCO O=c1oc2cc(O[*:1])c(Cl)cc2c2CCCc21
O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NCCCO OCCC[*:1] O=C(COc1cc2oc(=O)c3CCCc3c2cc1Cl)N[*:1]
O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NCCCO OCC[*:1] O=C(COc1cc2oc(=O)c3CCCc3c2cc1Cl)NC[*:1]
Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br Cc1ccc(cc1Br)[*:1] O=C(NC(=S)NNC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br O=[N+]([O-])[*:1] Cc1ccc(cc1Br)C(=O)NNC(=S)NC(=O)c1ccc(cc1)[*:1]
Cc1ccccc1CCNC(=O)NC(=O)CCCl ClCC[*:1] Cc1ccccc1CCNC(=O)NC(=O)[*:1]
CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1cc(OC)ccc1C CCC(=O)N[*:1] COc1ccc(C)c(c1)Cn1c(nc2ccccc21)-c1nonc1[*:1]
CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1cc(OC)ccc1C COc1ccc(C)c(c1)[*:1] CCC(=O)Nc1nonc1-c1nc2ccccc2n1C[*:1]
COc1ccc(C[NH2+][C@H](C)c2sccc2C)c(OC(F)F)c1 FC(F)O[*:1] COc1ccc(C[NH2+][C@H](C)c2sccc2C)c(c1)[*:1]
COc1ccc(C[NH2+][C@H](C)c2sccc2C)c(OC(F)F)c1 Cc1ccsc1[*:1] COc1ccc(C[NH2+][C@H](C)[*:1])c(c1)OC(F)F
COc1ccc(C[NH2+][C@H](C)c2sccc2C)c(OC(F)F)c1 FC(F)[*:1] COc1ccc(C[NH2+][C@H](C)c2sccc2C)c(c1)O[*:1]
C[C@@H](Cc1ccccn1)N(C)C(=O)[C@@H]1ON=C(c2ccc(F)cc2)[C@H]1C c1ccc(nc1)[*:1] C[C@@H](C[*:1])N(C)C(=O)[C@@H]1ON=C(c2ccc(F)cc2)[C@H]1C
C[C@@H](Cc1ccccn1)N(C)C(=O)[C@@H]1ON=C(c2ccc(F)cc2)[C@H]1C c1ccc(C[*:1])nc1 C[C@@H](N(C)C(=O)[C@@H]1ON=C(c2ccc(F)cc2)[C@H]1C)[*:1]
C[C@@H](Cc1ccccn1)N(C)C(=O)[C@@H]1ON=C(c2ccc(F)cc2)[C@H]1C Fc1ccc(cc1)[*:1] C[C@@H](Cc1ccccn1)N(C)C(=O)[C@@H]1ON=C([C@H]1C)[*:1]
O=C(CCC(=O)c1ccc(F)cc1)OCc1cc2c(cc1Br)OCCO2 Fc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])OCc1cc2OCCOc2cc1Br
COc1ccccc1[C@@H](C#N)NS(=O)(=O)c1c(C)nn(C(C)C)c1C COc1ccccc1[*:1] Cc1nn(c(C)c1S(=O)(=O)N[C@H](C#N)[*:1])C(C)C
COc1ccccc1[C@@H](C#N)NS(=O)(=O)c1c(C)nn(C(C)C)c1C CC(C)[*:1] COc1ccccc1[C@@H](C#N)NS(=O)(=O)c1c(C)nn(c1C)[*:1]
C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)nn2C)c2cc(F)ccc2C(=O)N1 CC(C)(C)[*:1] C[C@@H]1CN(C(=O)c2cc(nn2C)[*:1])c2cc(F)ccc2C(=O)N1
COCc1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 FC(F)(F)[*:1] COCc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccc(c1)[*:1]
COCc1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 COC[*:1] O=C(Nc1nc(cs1)-c1cccc(c1)C(F)(F)F)c1ccc(cc1)[*:1]
COCc1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 COCc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1cccc(c1)C(F)(F)F)[*:1]
C[C@H](NC(=O)COc1ccccc1C(N)=O)c1ccc2ccccc2c1 NC(=O)[*:1] C[C@H](NC(=O)COc1ccccc1[*:1])c1ccc2ccccc2c1
C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)Cc1ccc2ccccc2c1 O=C(N[*:1])c1ccoc1 C[C@@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)Cc1ccc2ccccc2c1 c1cc(co1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NNC(=O)Cc1ccc2ccccc2c1
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccnc1C Cc1ncccc1[*:1] CCCN(Cc1ccc(C#N)cc1)C(=O)N[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccnc1C CCC[*:1] Cc1ncccc1NC(=O)N(Cc1ccc(C#N)cc1)[*:1]
Cc1cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2ncon2)no1 Clc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)N[C@@H](c1ncon1)[*:1]
Cc1cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2ncon2)no1 Cc1cc(no1)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N[*:1]
Cc1cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2ncon2)no1 c1nc(no1)[*:1] Cc1cc(no1)NC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
COCO[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C[C@]4(OC)C[C@@H](O)C=C4[C@]31O)C2(C)C COCO[*:1] CO[C@]12C=C[C@H]3[C@H]4[C@@H](C[C@H]([C@]3(O)C1=C[C@H](O)C2)[*:1])C4(C)C
COCO[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C[C@]4(OC)C[C@@H](O)C=C4[C@]31O)C2(C)C COC[*:1] CO[C@]12C=C[C@H]3[C@H]4[C@@H](C[C@@H](O[*:1])[C@]3(O)C1=C[C@H](O)C2)C4(C)C
Cn1nc(C(=O)Nc2ccccc2)cc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1C(=O)Nc1ccccc1)C(=O)N[*:1]
Cn1nc(C(=O)Nc2ccccc2)cc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1C(=O)N[*:1])C(=O)Nc1ccccc1
O=C1N=C([O-])N(c2ccc(Cl)cc2)C(=O)[C@@H]1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C1N=C([O-])N(C(=O)[C@@H]1C(=O)N[*:1])c1ccc(Cl)cc1
O=C1N=C([O-])N(c2ccc(Cl)cc2)C(=O)[C@@H]1C(=O)NC1CCCCC1 Clc1ccc(cc1)[*:1] O=C1N=C([O-])N(C(=O)[C@@H]1C(=O)NC1CCCCC1)[*:1]
CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1Br Cc1ccc(N[*:1])c(Br)c1 CCN(CC)C(=O)c1cnc2nc(C)ccc2c1[*:1]
CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1Br CCN(CC)C(=O)[*:1] Cc1ccc(Nc2c(cnc3nc(C)ccc23)[*:1])c(Br)c1
CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1Br Cc1ccc(c(Br)c1)[*:1] CCN(CC)C(=O)c1cnc2nc(C)ccc2c1N[*:1]
Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@@H]2CO1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC[C@@H]1CN2CCC[C@@H]2CO1)[*:1]
O=C1CCCC[C@@]1(C(=O)c1cc2ccccc2oc1=O)c1ccccn1 c1ccc(nc1)[*:1] O=C1CCCC[C@]1(C(=O)c1cc2ccccc2oc1=O)[*:1]
COc1ccc(CC(=O)N2CCC(c3cc4[nH+]cccc4[nH]3)CC2)cc1C COc1ccc(cc1C)[*:1] O=C(C[*:1])N1CCC(CC1)c1cc2[nH+]cccc2[nH]1
COc1ccc(SCCC(=O)N2CCN(c3nc4ccc(Br)cc4s3)CC2)cc1 COc1ccc(cc1)S[*:1] O=C(CC[*:1])N1CCN(CC1)c1nc2ccc(Br)cc2s1
COc1ccc(SCCC(=O)N2CCN(c3nc4ccc(Br)cc4s3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CCS[*:1])N1CCN(CC1)c1nc2ccc(Br)cc2s1
COCCc1nc(C)c([C@@H](C)[NH2+]Cc2sccc2C)s1 Cc1ccsc1[*:1] COCCc1nc(C)c(s1)[C@@H](C)[NH2+]C[*:1]
COCCc1nc(C)c([C@@H](C)[NH2+]Cc2sccc2C)s1 COCC[*:1] Cc1ccsc1C[NH2+][C@H](C)c1sc(nc1C)[*:1]
COCCc1nc(C)c([C@@H](C)[NH2+]Cc2sccc2C)s1 COC[*:1] Cc1ccsc1C[NH2+][C@H](C)c1sc(C[*:1])nc1C
COc1ccccc1[C@H]1CCCN1C(=O)c1cnc(C)cn1 Cc1cnc(cn1)[*:1] COc1ccccc1[C@H]1CCCN1C(=O)[*:1]
Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCCC[C@@H]1C(=O)[O-]
Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 O=C([O-])[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N1CCCC[C@H]1[*:1]
COC(=O)Cn1cc(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)nn1 COC(=O)C[*:1] C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cn(nn1)[*:1]
COC(=O)Cn1cc(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)nn1 COC(=O)[*:1] C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cn(C[*:1])nn1
Clc1ccc(Cl)c2c1OCC[C@@H]2[NH2+]CCCCn1cnnc1 c1nncn1CC[*:1] Clc1ccc(Cl)c2c1OCC[C@@H]2[NH2+]CC[*:1]
Clc1ccc(Cl)c2c1OCC[C@@H]2[NH2+]CCCCn1cnnc1 c1nncn1[*:1] Clc1ccc(Cl)c2c1OCC[C@@H]2[NH2+]CCCC[*:1]
Clc1ccc(Cl)c2c1OCC[C@@H]2[NH2+]CCCCn1cnnc1 c1nncn1C[*:1] Clc1ccc(Cl)c2c1OCC[C@@H]2[NH2+]CCC[*:1]
OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](CCCC2CCCC2)CC1 C1CCC(C1)C[*:1] OC1(CC[NH+](CC1)CC[*:1])Cc1cc(no1)-c1ccccc1
OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](CCCC2CCCC2)CC1 C1CCC(C1)[*:1] OC1(CC[NH+](CCC[*:1])CC1)Cc1cc(no1)-c1ccccc1
OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](CCCC2CCCC2)CC1 c1ccc(cc1)[*:1] OC1(CC[NH+](CCCC2CCCC2)CC1)Cc1cc(no1)[*:1]
OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](CCCC2CCCC2)CC1 C1CCC(C1)CCC[*:1] OC1(CC[NH+](CC1)[*:1])Cc1cc(no1)-c1ccccc1
OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](CCCC2CCCC2)CC1 C1CCC(C1)CC[*:1] OC1(CC[NH+](CC1)C[*:1])Cc1cc(no1)-c1ccccc1
O=C(Cn1nc2ccccn2c1=O)Oc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1nc2ccccn2c1=O)O[*:1]
Cc1nc(C(C)(C)C)sc1C(=O)N1CCC(c2nncn2C)CC1 Cn1cnnc1[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)[*:1])C(C)(C)C
Cc1nc(C(C)(C)C)sc1C(=O)N1CCC(c2nncn2C)CC1 CC(C)(C)[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)c1nncn1C)[*:1]
Cc1nc(C)n(CCCNC(=O)c2sc(C(C)C)nc2C)n1 CC(C)[*:1] Cc1nc(C)n(CCCNC(=O)c2sc(nc2C)[*:1])n1
Cc1nc(C)n(CCCNC(=O)c2sc(C(C)C)nc2C)n1 Cc1nc(C)n(n1)[*:1] Cc1nc(sc1C(=O)NCCC[*:1])C(C)C
OCC[C@@H](O)c1ccc2c(c1)OCO2 OCC[*:1] O[C@@H](c1ccc2OCOc2c1)[*:1]
Cc1nnc([C@H]2CCCN(C(=O)NCc3ccccc3)C2)s1 c1ccc(cc1)[*:1] Cc1nnc(s1)[C@H]1CCCN(C1)C(=O)NC[*:1]
Cc1nnc([C@H]2CCCN(C(=O)NCc3ccccc3)C2)s1 c1ccc(cc1)C[*:1] Cc1nnc(s1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1nnc([C@H]2CCCN(C(=O)NCc3ccccc3)C2)s1 Cc1nnc(s1)[*:1] O=C(NCc1ccccc1)N1CCC[C@@H](C1)[*:1]
CC[C@H]1CN(Cc2cn(C)nc2-c2ccncc2)C[C@H](C)O1 c1cc(ccn1)[*:1] CC[C@H]1CN(Cc2cn(C)nc2[*:1])C[C@H](C)O1
Cc1cnc(C)c(-c2cc(F)cc3c2O[C@H](CNC(=O)c2ccc(F)cc2F)C3)n1 Cc1cnc(C)c(n1)[*:1] O=C(NC[C@@H]1Cc2cc(F)cc(c2O1)[*:1])c1ccc(F)cc1F
Cc1cnc(C)c(-c2cc(F)cc3c2O[C@H](CNC(=O)c2ccc(F)cc2F)C3)n1 Fc1ccc(c(F)c1)[*:1] Cc1cnc(C)c(n1)-c1cc(F)cc2C[C@@H](CNC(=O)[*:1])Oc21
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)N1CCc2ccccc21 C1CCN(CC1)[*:1] O=C(CNc1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1)N1CCc2ccccc21
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)N1CCc2ccccc21 O=C(N1CCc2ccccc21)[*:1] O=S(=O)(c1ccc(c(c1)NC[*:1])N1CCCCC1)N1CCOCC1
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)N1CCc2ccccc21 O=S(=O)(N1CCOCC1)[*:1] O=C(CNc1cc(ccc1N1CCCCC1)[*:1])N1CCc2ccccc21
NC(=O)COc1ccc2ccccc2c1C[NH2+]C1CCCCCCC1 C1CCCC(CCC1)[*:1] NC(=O)COc1ccc2ccccc2c1C[NH2+][*:1]
NC(=O)COc1ccc2ccccc2c1C[NH2+]C1CCCCCCC1 NC(=O)[*:1] c1ccc2c(C[NH2+]C3CCCCCCC3)c(ccc2c1)OC[*:1]
NC(=O)COc1ccc2ccccc2c1C[NH2+]C1CCCCCCC1 NC(=O)CO[*:1] c1ccc2c(C[NH2+]C3CCCCCCC3)c(ccc2c1)[*:1]
NC(=O)COc1ccc2ccccc2c1C[NH2+]C1CCCCCCC1 NC(=O)C[*:1] c1ccc2c(C[NH2+]C3CCCCCCC3)c(ccc2c1)O[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)cc2)no1 CN(C)c1ccc(cc1)[*:1] Cc1nc(no1)-c1ccc(cc1)N1CCN(CC1)C(=O)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)cc2)no1 Cc1nc(no1)[*:1] CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)cc2)no1 CN(C)[*:1] Cc1nc(no1)-c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CS(=O)(=O)CC[C@H]1NC(=O)N(Cc2cc(Cl)cc3c2OCOC3)C1=O CS(=O)(=O)CC[*:1] O=C1N[C@@H](C(=O)N1Cc1cc(Cl)cc2COCOc21)[*:1]
CS(=O)(=O)CC[C@H]1NC(=O)N(Cc2cc(Cl)cc3c2OCOC3)C1=O CS(=O)(=O)[*:1] O=C1N[C@H](CC[*:1])C(=O)N1Cc1cc(Cl)cc2COCOc21
CS(=O)(=O)CC[C@H]1NC(=O)N(Cc2cc(Cl)cc3c2OCOC3)C1=O CS(=O)(=O)C[*:1] O=C1N[C@H](C[*:1])C(=O)N1Cc1cc(Cl)cc2COCOc21
CC[NH2+]Cc1c(Cl)cccc1N(C)Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[NH2+]Cc1c(Cl)cccc1N(C)C[*:1]
Cc1c(Cl)cccc1NCC(=O)NC1CC1 C1CC1[*:1] Cc1c(Cl)cccc1NCC(=O)N[*:1]
Cc1cccc(NC(=O)Cc2nc(-c3ccc(F)cc3F)cs2)c1 Fc1ccc(c(F)c1)[*:1] Cc1cccc(c1)NC(=O)Cc1nc(cs1)[*:1]
Cc1cccc(NC(=O)Cc2nc(-c3ccc(F)cc3F)cs2)c1 Cc1cccc(c1)[*:1] O=C(Cc1nc(cs1)-c1ccc(F)cc1F)N[*:1]
CCCN(CCC)C(=O)[C@@H](C)n1nc(Br)c(Br)c1Br CCC[*:1] CCCN(C(=O)[C@@H](C)n1nc(Br)c(Br)c1Br)[*:1]
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1csc(-c2ccccn2)n1 c1ccc(cc1)C[*:1] CN(Cc1cnn(c1)[*:1])C(=O)Cc1csc(n1)-c1ccccn1
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1csc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CN(Cc1cnn(c1)Cc1ccccc1)C(=O)Cc1csc(n1)[*:1]
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1csc(-c2ccccn2)n1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)C[*:1])C(=O)Cc1csc(n1)-c1ccccn1
CN(C)[C@H](C(=O)Nc1cc(CC(C)(C)C)nn1C)c1c(F)cccc1F CN(C)[*:1] Cn1nc(cc1NC(=O)[C@H](c1c(F)cccc1F)[*:1])CC(C)(C)C
CN(C)[C@H](C(=O)Nc1cc(CC(C)(C)C)nn1C)c1c(F)cccc1F Fc1cccc(F)c1[*:1] CN(C)[C@H](C(=O)Nc1cc(CC(C)(C)C)nn1C)[*:1]
CN(C)[C@H](C(=O)Nc1cc(CC(C)(C)C)nn1C)c1c(F)cccc1F CC(C)(C)C[*:1] CN(C)[C@H](C(=O)Nc1cc(nn1C)[*:1])c1c(F)cccc1F
CN(C)[C@H](C(=O)Nc1cc(CC(C)(C)C)nn1C)c1c(F)cccc1F CC(C)(C)[*:1] CN(C)[C@H](C(=O)Nc1cc(C[*:1])nn1C)c1c(F)cccc1F
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[*:1]
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCN1CCOCC1 Cc1ccccc1[*:1] O=C(NCCN1CCOCC1)[C@@H]1C[C@H]1[*:1]
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[*:1]
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 c1cc2OCCOc2cc1[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(CC1)C[*:1]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cccc2c1O[C@H](C)C(=O)N2 CC(C)C[*:1] C[C@H]1Oc2c(cccc2C(=O)N[C@H]2CCCC[C@@H]2OC[*:1])NC1=O
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cccc2c1O[C@H](C)C(=O)N2 CC(C)CC[*:1] C[C@H]1Oc2c(cccc2C(=O)N[C@H]2CCCC[C@@H]2O[*:1])NC1=O
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cccc2c1O[C@H](C)C(=O)N2 CC(C)CCO[*:1] C[C@H]1Oc2c(cccc2C(=O)N[C@H]2CCCC[C@@H]2[*:1])NC1=O
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cccc2c1O[C@H](C)C(=O)N2 CC(C)[*:1] C[C@H]1Oc2c(cccc2C(=O)N[C@H]2CCCC[C@@H]2OCC[*:1])NC1=O
CCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F c1cncc(c1)[*:1] CCC[NH2+][C@H](c1ccc(F)cc1F)[*:1]
CCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F CCC[*:1] Fc1ccc(c(F)c1)[C@H]([NH2+][*:1])c1cccnc1
Cc1cccc(N2C(=O)/C(=C/Nc3cccc(O)c3)c3ccccc3C2=O)n1 Oc1cccc(c1)N[*:1] Cc1cccc(n1)N1C(=O)C(=C[*:1])c2ccccc2C1=O
Cc1cccc(N2C(=O)/C(=C/Nc3cccc(O)c3)c3ccccc3C2=O)n1 Oc1cccc(c1)[*:1] Cc1cccc(n1)N1C(=O)/C(=C/N[*:1])c2ccccc2C1=O
Cc1cccc(N2C(=O)/C(=C/Nc3cccc(O)c3)c3ccccc3C2=O)n1 Cc1cccc(n1)[*:1] O=C1/C(=C/Nc2cccc(O)c2)c2ccccc2C(=O)N1[*:1]
COC[C@H](C)NC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 COC[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 CC(C)N(C)[*:1] COC[C@H](C)NC(=O)Nc1ccc(c(F)c1)[*:1]
COC[C@H](C)NC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 COC[C@H](C)[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)N[*:1]
COC[C@H](C)NC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 CC(C)[*:1] COC[C@H](C)NC(=O)Nc1ccc(c(F)c1)N(C)[*:1]
CC(=O)/C(=C1\CCCCCN1)S(=O)(=O)c1ccccc1Cl CC(=O)[*:1] O=S(=O)(/C(=C1/CCCCCN1)[*:1])c1ccccc1Cl
CC(=O)/C(=C1\CCCCCN1)S(=O)(=O)c1ccccc1Cl Clc1ccccc1[*:1] CC(=O)/C(=C1\CCCCCN1)S(=O)(=O)[*:1]
CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c(c1)oc(=O)n2C CCCC[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N(c1ccccc1C(=O)[O-])[*:1]
CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c(c1)oc(=O)n2C CCC[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N(C[*:1])c1ccccc1C(=O)[O-]
CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c(c1)oc(=O)n2C O=C([O-])c1ccccc1[*:1] CCCCN(S(=O)(=O)c1ccc2c(c1)oc(=O)n2C)[*:1]
CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c(c1)oc(=O)n2C O=C([O-])[*:1] CCCCN(c1ccccc1[*:1])S(=O)(=O)c1ccc2c(c1)oc(=O)n2C
C[C@@H](CNC(=O)N1CCC[C@H](CCO)C1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N1CCC[C@H](CCO)C1)N1CCN(CC1)[*:1]
C[C@@H](CNC(=O)N1CCC[C@H](CCO)C1)N1CCN(c2ccccc2)CC1 OCC[*:1] C[C@@H](CNC(=O)N1CCC[C@H](C1)[*:1])N1CCN(CC1)c1ccccc1
Cc1cc(O)cc(C)c1NC(=O)c1ccccn1 c1ccc(nc1)[*:1] Cc1cc(O)cc(C)c1NC(=O)[*:1]
O=C(NCc1csc(CCc2ccccc2)n1)N[C@@H]1CCCNC1=O c1ccc(cc1)C[*:1] O=C(NCc1csc(C[*:1])n1)N[C@@H]1CCCNC1=O
O=C(NCc1csc(CCc2ccccc2)n1)N[C@@H]1CCCNC1=O c1ccc(cc1)CC[*:1] O=C(NCc1csc(n1)[*:1])N[C@@H]1CCCNC1=O
O=C(NCc1csc(CCc2ccccc2)n1)N[C@@H]1CCCNC1=O c1ccc(cc1)[*:1] O=C(NCc1csc(CC[*:1])n1)N[C@@H]1CCCNC1=O
CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])S(=O)(=O)N1CCC[C@@H](C1)c1nc2ccccc2s1
CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])S(=O)(=O)N1CCC[C@@H](C1)c1nc2ccccc2s1
CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1OCC c1ccc2sc(nc2c1)[*:1] CCOc1ccc(cc1OCC)S(=O)(=O)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NC2C[C@@H](C)O[C@H](C)C2)C1 COC(=O)[*:1] C[C@@H]1CC(C[C@@H](C)O1)NC(=O)N1CCC[C@@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NC2C[C@@H](C)O[C@H](C)C2)C1 C[C@@H]1CC(C[C@@H](C)O1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)N[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NC2C[C@@H](C)O[C@H](C)C2)C1 COC(=O)C(C)(C)[*:1] C[C@@H]1CC(C[C@@H](C)O1)NC(=O)N1CCC[C@@H](C1)[*:1]
O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C([C@H]1CCC(=O)N(C1)C1CC1)N1CCN(CC1)[*:1]
O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCN(c2ccc(Cl)cc2)CC1 C1CC1[*:1] O=C([C@H]1CCC(=O)N(C1)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
CCCN(C)S(=O)(=O)/N=C(\[O-])[C@@H](C)N1CCc2ccccc2C1 CCC[*:1] C[C@H](/C([O-])=N/S(=O)(=O)N(C)[*:1])N1CCc2ccccc2C1
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCn1ccnn1 c1cn(nn1)[*:1] CN(Cc1cc(ccc1Cl)[N+](=O)[O-])C(=O)CCC[*:1]
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCn1ccnn1 O=[N+]([O-])[*:1] CN(Cc1cc(ccc1Cl)[*:1])C(=O)CCCn1ccnn1
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCn1ccnn1 c1cn(CC[*:1])nn1 CN(Cc1cc(ccc1Cl)[N+](=O)[O-])C(=O)C[*:1]
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 CN(Cc1cc(ccc1Cl)[N+](=O)[O-])C(=O)CC[*:1]
CC1(C)NC(=O)N(CC[NH+]2CCC(C(=O)N3CCCC3)CC2)C1=O O=C(N1CCCC1)[*:1] CC1(C)NC(=O)N(CC[NH+]2CCC(CC2)[*:1])C1=O
COc1ccc(C(=O)/C=C/c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C(=O)/C=C/c1cn(C)nc1-c1ccc(cc1)[*:1]
COc1ccc(C(=O)/C=C/c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 COc1ccc(cc1)[*:1] Cn1cc(/C=C/C(=O)[*:1])c(n1)-c1ccc(cc1)[N+](=O)[O-]
COc1ccc(C(=O)/C=C/c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)/C=C/c1cn(C)nc1[*:1]
O=C([O-])CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(Cl)cc1)N2 O=C([O-])[*:1] O=C(CCC[*:1])Nc1nc2N[C@@H](C[C@H](c3ccc(Cl)cc3)n2n1)c1ccc(Cl)cc1
O=C([O-])CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(Cl)cc1)N2 Clc1ccc(cc1)[*:1] O=C([O-])CCCC(=O)Nc1nc2N[C@H](C[C@H](c3ccc(Cl)cc3)n2n1)[*:1]
O=C([O-])CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(Cl)cc1)N2 O=C([O-])CCCC(=O)N[*:1] Clc1ccc(cc1)[C@@H]1C[C@H](c2ccc(Cl)cc2)n2nc(nc2N1)[*:1]
O=C([O-])CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(Cl)cc1)N2 O=C([O-])CC[*:1] O=C(C[*:1])Nc1nc2N[C@@H](C[C@H](c3ccc(Cl)cc3)n2n1)c1ccc(Cl)cc1
O=C([O-])CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(Cl)cc1)N2 O=C([O-])C[*:1] O=C(CC[*:1])Nc1nc2N[C@@H](C[C@H](c3ccc(Cl)cc3)n2n1)c1ccc(Cl)cc1
O=C([O-])CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(Cl)cc1)N2 Clc1ccc(cc1)[*:1] O=C([O-])CCCC(=O)Nc1nc2N[C@@H](C[C@H](n2n1)[*:1])c1ccc(Cl)cc1
O=C([O-])CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(Cl)cc1)N2 O=C([O-])CCC[*:1] O=C(Nc1nc2N[C@@H](C[C@H](c3ccc(Cl)cc3)n2n1)c1ccc(Cl)cc1)[*:1]
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccccc3)o2)cc1 Cc1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1nnc(o1)-c1ccccc1
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](C)[NH2+][C@@H](C)c1nnc(o1)[*:1]
C[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)COc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)CO[*:1]
C[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)COc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](n2ncnc2N1C(=O)COc1ccccc1)[*:1]
C[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)COc1ccccc1 c1ccc(cc1)OC[*:1] C[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)[*:1]
C[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)COc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)C[*:1]
CCC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 c1ccc(cc1)C[*:1] CCC(=O)Nc1cc(ncn1)N1CCN(CC1)[*:1]
CCC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 CCC(=O)N[*:1] c1ccc(cc1)CN1CCN(CC1)c1cc(ncn1)[*:1]
CCC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 c1ccc(cc1)[*:1] CCC(=O)Nc1cc(ncn1)N1CCN(CC1)C[*:1]
COCCS(=O)(=O)CCn1cc(C(=O)[O-])nn1 COCC[*:1] O=C([O-])c1cn(CCS(=O)(=O)[*:1])nn1
COCCS(=O)(=O)CCn1cc(C(=O)[O-])nn1 COC[*:1] O=C([O-])c1cn(CCS(=O)(=O)C[*:1])nn1
COCCS(=O)(=O)CCn1cc(C(=O)[O-])nn1 O=C([O-])[*:1] COCCS(=O)(=O)CCn1cc(nn1)[*:1]
Cc1nn2c(ncc3c(=O)n(N(C)C)ccc32)c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn2c(ncc3c(=O)n(ccc32)N(C)C)c1[*:1]
Cc1cc(N2CCC([NH+](C)Cc3ccco3)CC2)nc(C)[nH+]1 c1coc(c1)C[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)[*:1]
Cc1cc(N2CCC([NH+](C)Cc3ccco3)CC2)nc(C)[nH+]1 c1coc(c1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)C[*:1]
O=C(C[NH+]1CCC(C(=O)[O-])CC1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)[O-])NC[*:1]
O=C(C[NH+]1CCC(C(=O)[O-])CC1)NCc1ccc(Cl)cc1 O=C([O-])[*:1] O=C(C[NH+]1CCC(CC1)[*:1])NCc1ccc(Cl)cc1
CCN(Cc1cccc(C)n1)S(=O)(=O)CCCl ClCC[*:1] CCN(Cc1cccc(C)n1)S(=O)(=O)[*:1]
O=C1OCC[C@@H]1Sc1nc(Cc2cccs2)n[nH]1 c1csc(c1)C[*:1] O=C1OCC[C@@H]1Sc1nc(n[nH]1)[*:1]
O=C1OCC[C@@H]1Sc1nc(Cc2cccs2)n[nH]1 O=C1OCC[C@H]1[*:1] c1csc(c1)Cc1n[nH]c(n1)S[*:1]
O=C1OCC[C@@H]1Sc1nc(Cc2cccs2)n[nH]1 c1csc(c1)[*:1] O=C1OCC[C@@H]1Sc1nc(C[*:1])n[nH]1
Cc1cccn2cc(CCNC(=O)C[C@H](O)c3cccc(F)c3)[nH+]c12 Fc1cccc(c1)[*:1] Cc1cccn2cc(CCNC(=O)C[C@H](O)[*:1])[nH+]c12
Cc1ccc(Oc2ccc(NC(=O)NC3CCC(O)CC3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])NC1CCC(O)CC1
Cc1ccc(Oc2ccc(NC(=O)NC3CCC(O)CC3)cc2)cc1 OC1CCC(CC1)[*:1] Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)N[*:1]
Cc1ccc(Oc2ccc(NC(=O)NC3CCC(O)CC3)cc2)cc1 Cc1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])NC1CCC(O)CC1
O=S(=O)(Cc1ccccc1)Nc1ccccc1Cl c1ccc(cc1)[*:1] O=S(=O)(C[*:1])Nc1ccccc1Cl
CCc1cc(C[NH2+][C@@H](CCl)C(C)C)n(C)n1 CC(C)[*:1] CCc1cc(C[NH2+][C@@H](CCl)[*:1])n(C)n1
C[NH2+]C[C@@H]1CCCCN1Cc1c[nH+]cn1C1CC1 C[NH2+]C[*:1] c1[nH+]cn(c1CN1CCCC[C@H]1[*:1])C1CC1
C[NH2+]C[C@@H]1CCCCN1Cc1c[nH+]cn1C1CC1 C1CC1[*:1] C[NH2+]C[C@@H]1CCCCN1Cc1c[nH+]cn1[*:1]
CC(C)[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ncccc12)C(=O)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] CC(C)[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ncccc12)[*:1]
CC(C)[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ncccc12)C(=O)Nc1ccc(F)cc1 CC(C)[*:1] O=C(N[C@H](C(=O)Nc1ccc(F)cc1)[*:1])c1nn(-c2ccccc2)c(=O)c2ncccc12
CC(C)[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ncccc12)C(=O)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1nn(c(=O)c2ncccc12)[*:1])C(=O)Nc1ccc(F)cc1
CC(C)[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ncccc12)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ncccc12)C(=O)N[*:1]
C[NH+]1CCN(Cc2ccc(C(=O)NCc3nc4ccccc4s3)cc2)CC1 c1ccc2sc(nc2c1)[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)C(=O)NC[*:1]
O=C([O-])[C@@H](Cc1c(F)cccc1Cl)c1ccc(Cl)cc1 O=C([O-])[*:1] Fc1cccc(Cl)c1C[C@@H](c1ccc(Cl)cc1)[*:1]
CCSCc1ccnc(NCc2ccc(C(=O)N(C)C)[nH]2)c1 CCSC[*:1] CN(C)C(=O)c1ccc(CNc2cc(ccn2)[*:1])[nH]1
CCSCc1ccnc(NCc2ccc(C(=O)N(C)C)[nH]2)c1 CCS[*:1] CN(C)C(=O)c1ccc(CNc2cc(ccn2)C[*:1])[nH]1
CCSCc1ccnc(NCc2ccc(C(=O)N(C)C)[nH]2)c1 CN(C)C(=O)[*:1] CCSCc1ccnc(c1)NCc1ccc([nH]1)[*:1]
COc1cccc2c(C)c(C(=O)N[C@@H](C)C(=O)N3CCOCC3)oc12 O=C(N1CCOCC1)[*:1] COc1cccc2c(C)c(oc12)C(=O)N[C@@H](C)[*:1]
Cc1nn(C)c2nc(N[C@H](CO)CC(C)C)sc12 CC(C)C[*:1] Cc1nn(C)c2nc(N[C@H](CO)[*:1])sc12
Cc1nn(C)c2nc(N[C@H](CO)CC(C)C)sc12 CC(C)[*:1] Cc1nn(C)c2nc(N[C@H](CO)C[*:1])sc12
CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 c1ccc(cc1)C[*:1] CC[C@H](N(C)C(=O)N[C@H](C)c1nc(no1)C1CCCC1)[*:1]
CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])N(C)C(=O)N[C@H](C)c1nc(no1)C1CCCC1
CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H](C)c1nc(no1)[*:1]
CC(=O)OC1CCN(Cc2cnc(-c3cccnc3)s2)CC1 c1cncc(c1)[*:1] CC(=O)OC1CCN(CC1)Cc1cnc(s1)[*:1]
CC(=O)OC1CCN(Cc2cnc(-c3cccnc3)s2)CC1 CC(=O)O[*:1] c1cncc(c1)-c1ncc(CN2CCC(CC2)[*:1])s1
COC(=O)c1ccc2oc(=O)c([C@H]3[NH+]=c4ccc(C(=O)[O-])cc4=[NH+]3)cc2c1 COC(=O)[*:1] O=C([O-])c1ccc2=[NH+][C@@H]([NH+]=c2c1)c1cc2cc(ccc2oc1=O)[*:1]
COC(=O)c1ccc2oc(=O)c([C@H]3[NH+]=c4ccc(C(=O)[O-])cc4=[NH+]3)cc2c1 O=C([O-])[*:1] COC(=O)c1ccc2oc(=O)c(cc2c1)[C@H]1[NH+]=c2ccc(cc2=[NH+]1)[*:1]
CCCCn1cc2c3c(cccc31)CN(C(=O)NCC(=O)OCC)CC2 CCCC[*:1] CCOC(=O)CNC(=O)N1CCc2cn(c3cccc(C1)c23)[*:1]
CCCCn1cc2c3c(cccc31)CN(C(=O)NCC(=O)OCC)CC2 CCC[*:1] CCOC(=O)CNC(=O)N1CCc2cn(C[*:1])c3cccc(C1)c23
CCCCn1cc2c3c(cccc31)CN(C(=O)NCC(=O)OCC)CC2 CCOC(=O)C[*:1] CCCCn1cc2CCN(Cc3cccc1c23)C(=O)N[*:1]
CCCCn1cc2c3c(cccc31)CN(C(=O)NCC(=O)OCC)CC2 CCOC(=O)[*:1] CCCCn1cc2CCN(Cc3cccc1c23)C(=O)NC[*:1]
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@](C)(O)c1ccsc1 c1coc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NC[C@@](C)(O)c1ccsc1
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@](C)(O)c1ccsc1 O=C(N[*:1])c1ccco1 CC(C)[C@@H](C(=O)NC[C@@](C)(O)c1ccsc1)[*:1]
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@](C)(O)c1ccsc1 CC(C)[*:1] C[C@@](O)(CNC(=O)[C@H](NC(=O)c1ccco1)[*:1])c1ccsc1
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@](C)(O)c1ccsc1 c1cc(cs1)[*:1] CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@](C)(O)[*:1]
CCOC(=O)[C@@]1(N)CC[C@H](Sc2ccc(Cl)cc2)C1 CCOC(=O)[*:1] N[C@]1(CC[C@@H](C1)Sc1ccc(Cl)cc1)[*:1]
CC(C)c1ccc(CSc2nnc(S[C@H](C)C(=O)N(C)C)s2)cc1 CC(C)[*:1] C[C@@H](Sc1nnc(SCc2ccc(cc2)[*:1])s1)C(=O)N(C)C
CC(C)c1ccc(CSc2nnc(S[C@H](C)C(=O)N(C)C)s2)cc1 C[C@H](C(=O)N(C)C)[*:1] CC(C)c1ccc(cc1)CSc1nnc(S[*:1])s1
CC(C)c1ccc(CSc2nnc(S[C@H](C)C(=O)N(C)C)s2)cc1 CN(C)C(=O)[*:1] CC(C)c1ccc(cc1)CSc1nnc(S[C@H](C)[*:1])s1
CC(C)c1ccc(CSc2nnc(S[C@H](C)C(=O)N(C)C)s2)cc1 C[C@@H](S[*:1])C(=O)N(C)C CC(C)c1ccc(cc1)CSc1nnc(s1)[*:1]
C[NH2+][C@@H](C1CCOCC1)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] C[NH2+][C@@H](C1CCOCC1)C1(CCCC1)[*:1]
C[NH2+][C@@H](C1CCOCC1)C1(N2CCOCC2)CCCC1 C1CC(CCO1)[*:1] C[NH2+][C@@H](C1(CCCC1)N1CCOCC1)[*:1]
CCC(=O)NCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 N#Cc1ccc(nc1)[*:1] CCC(=O)NCC(=O)NC1CCC(CC1)O[*:1]
CCC(=O)NCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 CCC(=O)N[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)C[*:1]
CCC(=O)NCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 CCC(=O)NC[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)[*:1]
N/C(=[NH+]\NC(=O)c1ccncc1)c1cc2c(ccc3ccccc32)oc1=O c1cc(ccn1)[*:1] N/C(=[NH+]\NC(=O)[*:1])c1cc2c(ccc3ccccc32)oc1=O
C[C@@H](NC(=O)N1CCc2ccc(F)cc21)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](NC(=O)N1CCc2ccc(F)cc21)c1nc(no1)[*:1]
O=C(NN[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1cccnc1 c1cncc(c1)[*:1] O=C1C[C@@H](NNC(=O)[*:1])C(=O)N1c1ccccc1
O=C(NN[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1cccnc1 c1ccc(cc1)[*:1] O=C(NN[C@@H]1CC(=O)N(C1=O)[*:1])c1cccnc1
CC(C)CS(=O)(=O)Cc1c(C(=O)[O-])oc2ccccc12 O=C([O-])[*:1] CC(C)CS(=O)(=O)Cc1c(oc2ccccc12)[*:1]
CC(C)CS(=O)(=O)Cc1c(C(=O)[O-])oc2ccccc12 CC(C)C[*:1] O=C([O-])c1oc2ccccc2c1CS(=O)(=O)[*:1]
CC(C)CS(=O)(=O)Cc1c(C(=O)[O-])oc2ccccc12 CC(C)[*:1] O=C([O-])c1oc2ccccc2c1CS(=O)(=O)C[*:1]
CC(C)CCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 CC(C)[*:1] Cn1cc(cc(Br)c1=O)NC(=O)C(=O)NCC[*:1]
CC(C)CCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 CC(C)CC[*:1] Cn1cc(cc(Br)c1=O)NC(=O)C(=O)N[*:1]
CC(C)CCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 CC(C)C[*:1] Cn1cc(cc(Br)c1=O)NC(=O)C(=O)NC[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)ncn4CCc3ccccc3)ccc21 c1ccc(cc1)CC[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)Nc1ccc2c(c1)ncn2[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)ncn4CCc3ccccc3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)Nc1ccc2c(c1)ncn2CC[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)ncn4CCc3ccccc3)ccc21 c1ccc(cc1)C[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)Nc1ccc2c(c1)ncn2C[*:1]
O=C(NCCc1ccncc1)C1CN(c2nc3c(F)cccc3s2)C1 c1cc(ccn1)C[*:1] O=C(NC[*:1])C1CN(C1)c1nc2c(F)cccc2s1
O=C(NCCc1ccncc1)C1CN(c2nc3c(F)cccc3s2)C1 c1cc(ccn1)CC[*:1] O=C(N[*:1])C1CN(C1)c1nc2c(F)cccc2s1
O=C(NCCc1ccncc1)C1CN(c2nc3c(F)cccc3s2)C1 c1cc(ccn1)[*:1] O=C(NCC[*:1])C1CN(C1)c1nc2c(F)cccc2s1
C[C@H](c1ccccc1)N1C[C@H](C(=O)NCC(=O)N2CCCC2)CC1=O O=C(C[*:1])N1CCCC1 C[C@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
C[C@H](c1ccccc1)N1C[C@H](C(=O)NCC(=O)N2CCCC2)CC1=O O=C(N1CCCC1)[*:1] C[C@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
C[C@H](c1ccccc1)N1C[C@H](C(=O)NCC(=O)N2CCCC2)CC1=O c1ccc(cc1)[*:1] C[C@H](N1C[C@@H](CC1=O)C(=O)NCC(=O)N1CCCC1)[*:1]
C[C@H](c1ccccc1)N1C[C@H](C(=O)NCC(=O)N2CCCC2)CC1=O C[C@H](c1ccccc1)[*:1] O=C(NCC(=O)N1CCCC1)[C@@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1nc2c(s1)CN(C(=O)CCn1cnc3ccccc3c1=O)CC2 CC(=O)N[*:1] O=C(CCn1cnc2ccccc2c1=O)N1CCc2nc(sc2C1)[*:1]
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 Cc1cc(Cl)ccc1O[*:1] C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)[*:1]
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 Cc1cc(Cl)ccc1[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 O=S(=O)(Nc1ccccn1)[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccccc1CN1CC[NH+](C(C)C)CC1 CC(C)[*:1] COc1ccccc1CN1CC[NH+](CC1)[*:1]
Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 Cc1ccc(Cl)cc1[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N(C)CC(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 C1CC1[*:1] Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)[*:1]
C[C@@H]1CN(C(=O)Nc2ccncc2)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CN(CC[C@H]1[*:1])C(=O)Nc1ccncc1
C[C@@H]1CN(C(=O)Nc2ccncc2)CC[C@@H]1c1ccccc1 c1cc(ccn1)[*:1] C[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)N[*:1]
COCCN1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O c1ccc2c(c[nH]c2c1)C[*:1] COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@H]2[*:1])C(=O)Nc2c(C)cc(C)cc21
COCCN1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O c1ccc2c(c[nH]c2c1)[*:1] COCCN1C(=O)[C@@H]2[C@@H](C[*:1])N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O
COCCN1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O COC[*:1] Cc1cc(C)c2NC(=O)[C@]3(N[C@H](Cc4c[nH]c5ccccc45)[C@H]4C(=O)N(C[*:1])C(=O)[C@H]43)c2c1
COCCN1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O COCC[*:1] Cc1cc(C)c2NC(=O)[C@]3(N[C@H](Cc4c[nH]c5ccccc45)[C@H]4C(=O)N(C(=O)[C@H]43)[*:1])c2c1
COCCOc1cccc(NC(=O)[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1 Cc1ccc(cc1)[*:1] COCCOc1cccc(c1)NC(=O)[C@@H]1CCN(C1=O)[*:1]
COCCOc1cccc(NC(=O)[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1 COCCO[*:1] Cc1ccc(cc1)N1CC[C@@H](C(=O)Nc2cccc(c2)[*:1])C1=O
COCCOc1cccc(NC(=O)[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1 COCC[*:1] Cc1ccc(cc1)N1CC[C@@H](C(=O)Nc2cccc(c2)O[*:1])C1=O
COCCOc1cccc(NC(=O)[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1 COC[*:1] Cc1ccc(cc1)N1CC[C@@H](C(=O)Nc2cccc(c2)OC[*:1])C1=O
CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccccc2)C1=S Fc1ccc(cc1)[*:1] CN1C(=O)[C@@H](CC(=O)N[*:1])N(Cc2ccccc2)C1=S
CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccccc2)C1=S c1ccc(cc1)[*:1] CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(C[*:1])C1=S
CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccccc2)C1=S c1ccc(cc1)C[*:1] CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(C1=S)[*:1]
Cc1cc(=O)c(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)nn1-c1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)Nc1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
Cc1cc(=O)c(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)Nc1ccc(cc1)C[NH+]1CCN(CC1)Cc1ccccc1
Cc1cc(=O)c(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)Nc1ccc(cc1)C[NH+]1CCN(CC1)C[*:1]
Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NC(=O)c1ccc2c(c1)OCO2 c1ccc(cc1)O[*:1] Cc1nn(Cc2cccc(c2)[*:1])c(C)c1NC(=O)c1ccc2OCOc2c1
Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NC(=O)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1nn(Cc2cccc(c2)Oc2ccccc2)c(C)c1NC(=O)[*:1]
Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NC(=O)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] Cc1nn(Cc2cccc(c2)O[*:1])c(C)c1NC(=O)c1ccc2OCOc2c1
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc12 NC(=O)[*:1] Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(cc12)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc12 Clc1ccc(C[*:1])c(Cl)c1 Cc1nn(c2sc(cc12)C(=O)N1CCC[C@H](C1)C(N)=O)[*:1]
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc12 Clc1ccc(c(Cl)c1)[*:1] Cc1nn(C[*:1])c2sc(cc12)C(=O)N1CCC[C@H](C1)C(N)=O
O=C1CCC[C@H]1CCSc1n[nH]c(=O)n1C1CC1 O=C1CCC[C@@H]1[*:1] O=c1[nH]nc(SCC[*:1])n1C1CC1
O=C1CCC[C@H]1CCSc1n[nH]c(=O)n1C1CC1 C1CC1[*:1] O=C1CCC[C@H]1CCSc1n[nH]c(=O)n1[*:1]
CC(C)(C)NC(=O)COC(=O)c1cnccn1 CC(C)(C)[*:1] O=C(COC(=O)c1cnccn1)N[*:1]
COc1ccc([C@@H]2[C@@H](/C=N/NC(N)=S)CSC3=NC(=O)S[C@H]32)cc1 NC(=S)NN=C[*:1] COc1ccc(cc1)[C@H]1[C@@H]2SC(=O)N=C2SC[C@H]1[*:1]
COc1ccc([C@@H]2[C@@H](/C=N/NC(N)=S)CSC3=NC(=O)S[C@H]32)cc1 COc1ccc(cc1)[*:1] NC(=S)N/N=C/[C@H]1CSC2=NC(=O)S[C@H]2[C@@H]1[*:1]
Cc1cc(C)n(CC(=O)NCCc2ccccc2)c(=O)c1C#N c1ccc(cc1)C[*:1] Cc1cc(C)n(CC(=O)NC[*:1])c(=O)c1C#N
Cc1cc(C)n(CC(=O)NCCc2ccccc2)c(=O)c1C#N c1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)NCC[*:1])c(=O)c1C#N
CN(CCCNC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCNC(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1 CCC[*:1] O=C(Nc1ccc(Br)cc1)c1ccccc1S(=O)(=O)[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCCS(=O)(=O)c1ccccc1C(=O)N[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1 CCCS(=O)(=O)[*:1] O=C(Nc1ccc(Br)cc1)c1ccccc1[*:1]
CNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] CNC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 CNC(=O)[*:1] O=C(NC1CCCC1)N1CCC[C@H](C1)[*:1]
COc1ccccc1SCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 COc1ccccc1[*:1] O=C(CS[*:1])Nc1nc(cs1)-c1ccc(F)c(F)c1
COc1ccccc1SCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 Fc1ccc(cc1F)[*:1] COc1ccccc1SCC(=O)Nc1nc(cs1)[*:1]
COc1ccc(C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)Nc1cc(F)ccc1C
COc1ccc(C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)Nc1ccc(Br)cc1 Cc1ccc(F)cc1[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(Br)cc1)C(=O)N[*:1]
CCC[C@H](C)NC(=O)COc1cccc2ccccc12 CCC[C@H](C)[*:1] O=C(COc1cccc2ccccc12)N[*:1]
CCC[C@H](C)NC(=O)COc1cccc2ccccc12 CCC[*:1] C[C@H](NC(=O)COc1cccc2ccccc12)[*:1]
COC[C@@H](O)C[NH2+][C@H]1CC(C)(C)OC1(C)C COC[*:1] CC1(C)C[C@H]([NH2+]C[C@H](O)[*:1])C(C)(C)O1
COC[C@@H](O)C[NH2+][C@H]1CC(C)(C)OC1(C)C COC[C@@H](O)[*:1] CC1(C)C[C@H]([NH2+]C[*:1])C(C)(C)O1
O=c1[nH+]c2n(c3c1CN(C1CCCCC1)CN3)C[C@@H](CBr)S2 C1CCC(CC1)[*:1] O=c1[nH+]c2S[C@H](CBr)Cn2c2NCN(Cc21)[*:1]
CN(Cc1csc(Br)c1)c1cccc(F)c1C(=O)[O-] Brc1cc(cs1)[*:1] CN(C[*:1])c1cccc(F)c1C(=O)[O-]
CN(Cc1csc(Br)c1)c1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] CN(Cc1csc(Br)c1)c1cccc(F)c1[*:1]
CNC(=O)c1cccc(NC(=O)NCc2cc(Cl)ccn2)n1 CNC(=O)[*:1] O=C(NCc1cc(Cl)ccn1)Nc1cccc(n1)[*:1]
CNC(=O)c1cccc(NC(=O)NCc2cc(Cl)ccn2)n1 Clc1ccnc(c1)[*:1] CNC(=O)c1cccc(n1)NC(=O)NC[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O CCc1nn(C)cc1[*:1] C[C@@H]1C[C@H](NC(=O)C(=O)N[*:1])C(=O)N1c1ccccc1
CCc1nn(C)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C1=O)[*:1]
O=C1C(=O)N(C2CCCC2)C(=O)N1CN1CCc2ccc(Cl)cc2C1 C1CCC(C1)[*:1] O=C1C(=O)N(C(=O)N1CN1CCc2ccc(Cl)cc2C1)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cc2c([nH]c1=O)CCCC2 c1ccc(cc1)C[*:1] C[C@@H](CCO)N(C(=O)c1cc2CCCCc2[nH]c1=O)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cc2c([nH]c1=O)CCCC2 OCC[*:1] C[C@@H](N(Cc1ccccc1)C(=O)c1cc2CCCCc2[nH]c1=O)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cc2c([nH]c1=O)CCCC2 c1ccc(cc1)[*:1] C[C@@H](CCO)N(C[*:1])C(=O)c1cc2CCCCc2[nH]c1=O
COc1cc(CN(C)C(=O)c2cc(C)oc2C)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])CN(C)C(=O)c1cc(C)oc1C
COc1cc(CN(C)C(=O)c2cc(C)oc2C)ccc1OCc1ccccc1 Cc1cc(c(C)o1)[*:1] COc1cc(ccc1OCc1ccccc1)CN(C)C(=O)[*:1]
COc1cc(CN(C)C(=O)c2cc(C)oc2C)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])CN(C)C(=O)c1cc(C)oc1C
COc1cc(CN(C)C(=O)c2cc(C)oc2C)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])CN(C)C(=O)c1cc(C)oc1C
CCC[NH+]1CCN(c2ncc3c(n2)CC[NH+](CCc2ccccc2)C3)CC1 CCC[*:1] c1ccc(cc1)CC[NH+]1CCc2nc(ncc2C1)N1CC[NH+](CC1)[*:1]
CCC[NH+]1CCN(c2ncc3c(n2)CC[NH+](CCc2ccccc2)C3)CC1 c1ccc(cc1)[*:1] CCC[NH+]1CCN(CC1)c1ncc2C[NH+](CCc2n1)CC[*:1]
CCC[NH+]1CCN(c2ncc3c(n2)CC[NH+](CCc2ccccc2)C3)CC1 c1ccc(cc1)CC[*:1] CCC[NH+]1CCN(CC1)c1ncc2C[NH+](CCc2n1)[*:1]
CCC[NH+]1CCN(c2ncc3c(n2)CC[NH+](CCc2ccccc2)C3)CC1 c1ccc(cc1)C[*:1] CCC[NH+]1CCN(CC1)c1ncc2C[NH+](CCc2n1)C[*:1]
O=C(CCc1nnc2ccc(NCc3ccco3)nn12)Nc1ccc(F)cc1F c1coc(c1)[*:1] O=C(CCc1nnc2ccc(nn12)NC[*:1])Nc1ccc(F)cc1F
O=C(CCc1nnc2ccc(NCc3ccco3)nn12)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CCc1nnc2ccc(nn12)NCc1ccco1)N[*:1]
O=C(CCc1nnc2ccc(NCc3ccco3)nn12)Nc1ccc(F)cc1F c1coc(c1)C[*:1] O=C(CCc1nnc2ccc(nn12)N[*:1])Nc1ccc(F)cc1F
O=C(CCc1nnc2ccc(NCc3ccco3)nn12)Nc1ccc(F)cc1F c1coc(c1)CN[*:1] O=C(CCc1nnc2ccc(nn12)[*:1])Nc1ccc(F)cc1F
Cc1ccc(C(=O)[C@@H]2CC(=O)N=C(N3CCCCC3)N2)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](NC(=N1)N1CCCCC1)C(=O)[*:1]
C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc([S@](C)=O)cc1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H](C)[C@H](O)C[*:1])c1ccc(cc1)[S@](C)=O
C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc([S@](C)=O)cc1 c1ccc(cc1)C[*:1] C[C@H]([NH2+][C@@H](C)[C@H](O)[*:1])c1ccc(cc1)[S@](C)=O
C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(cc1)[*:1]
CC[NH2+][C@@H]1[C@H](N2CC[NH+]([C@H](C)CC)CC2)CCC1(C)C CC[C@@H](C)[*:1] CC[NH2+][C@@H]1[C@@H](CCC1(C)C)N1CC[NH+](CC1)[*:1]
N#C[C@@H](NC(=O)Cc1ccccc1Br)c1ccsc1 c1cc(cs1)[*:1] N#C[C@@H](NC(=O)Cc1ccccc1Br)[*:1]
COC(=O)C1(NC(=O)c2cccc(CN3CCCC3=O)c2)CCCCC1 O=C1CCCN1C[*:1] COC(=O)C1(CCCCC1)NC(=O)c1cccc(c1)[*:1]
COC(=O)C1(NC(=O)c2cccc(CN3CCCC3=O)c2)CCCCC1 O=C1CCCN1[*:1] COC(=O)C1(CCCCC1)NC(=O)c1cccc(c1)C[*:1]
COC(=O)C1(NC(=O)c2cccc(CN3CCCC3=O)c2)CCCCC1 COC(=O)[*:1] O=C(NC1(CCCCC1)[*:1])c1cccc(c1)CN1CCCC1=O
CC(C)c1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)n(C)n1 c1nc(cs1)[*:1] CC(C)c1cc(C(=O)N2CCC(CC2)c2[nH+]ccn2C[*:1])n(C)n1
CC(C)c1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)N1CCC(CC1)c1[nH+]ccn1Cc1cscn1)[*:1]
CC(C)c1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)n(C)n1 c1nc(cs1)C[*:1] CC(C)c1cc(C(=O)N2CCC(CC2)c2[nH+]ccn2[*:1])n(C)n1
CC(C)c1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)n(C)n1 CC(C)c1cc(n(C)n1)[*:1] O=C(N1CCC(CC1)c1[nH+]ccn1Cc1cscn1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1cc2cc(Cl)ccc2o1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)[*:1]
CCCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(F)cc1 c1cncc(c1)[*:1] CCCc1sc(nc1-c1ccc(F)cc1)NC(=O)[*:1]
CCCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCc1sc(nc1[*:1])NC(=O)c1cccnc1
CCCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(F)cc1 CCC[*:1] O=C(Nc1nc(-c2ccc(F)cc2)c(s1)[*:1])c1cccnc1
C=CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2 C=CC[*:1] O=C(Nc1ccc2COCc2c1)N(Cc1ccccc1)[*:1]
C=CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2 c1ccc(cc1)C[*:1] C=CCN(C(=O)Nc1ccc2COCc2c1)[*:1]
C=CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2 c1ccc(cc1)[*:1] C=CCN(C[*:1])C(=O)Nc1ccc2COCc2c1
CC(=O)c1ccc(Oc2ccc(C(=O)N(C)CC(F)(F)F)cc2)cc1 FC(F)(F)C[*:1] CC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)N(C)[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)N(C)CC(F)(F)F)cc2)cc1 FC(F)(F)[*:1] CC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)N(C)C[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)N(C)CC(F)(F)F)cc2)cc1 CC(=O)[*:1] CN(CC(F)(F)F)C(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1]
O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CCCN(C1)C(=O)[*:1]
COC(=O)c1sc2ccc([N+](=O)[O-])cc2c1NC(=O)[C@@](F)(OC)C(F)(F)F FC(F)(F)[*:1] COC(=O)c1sc2ccc(cc2c1NC(=O)[C@@](F)(OC)[*:1])[N+](=O)[O-]
COC(=O)c1sc2ccc([N+](=O)[O-])cc2c1NC(=O)[C@@](F)(OC)C(F)(F)F O=[N+]([O-])[*:1] COC(=O)c1sc2ccc(cc2c1NC(=O)[C@@](F)(OC)C(F)(F)F)[*:1]
COC(=O)c1sc2ccc([N+](=O)[O-])cc2c1NC(=O)[C@@](F)(OC)C(F)(F)F COC(=O)[*:1] CO[C@](F)(C(=O)Nc1c(sc2ccc(cc12)[N+](=O)[O-])[*:1])C(F)(F)F
Cc1cnc(NC(=O)[C@@H](C)NC(=O)c2cc3ccccc3o2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)N[*:1]
C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(cc1)[*:1]
C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC[C@@H](O)[*:1])c1ccc(cc1)N1CCCC1=O
Cc1cccc(NC(=O)c2ccc(OCc3ccncc3)cc2)n1 c1cc(ccn1)C[*:1] Cc1cccc(n1)NC(=O)c1ccc(cc1)O[*:1]
Cc1cccc(NC(=O)c2ccc(OCc3ccncc3)cc2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1ccc(cc1)OCc1ccncc1
Cc1cccc(NC(=O)c2ccc(OCc3ccncc3)cc2)n1 c1cc(ccn1)[*:1] Cc1cccc(n1)NC(=O)c1ccc(cc1)OC[*:1]
Cc1cccc(NC(=O)c2ccc(OCc3ccncc3)cc2)n1 c1cc(ccn1)CO[*:1] Cc1cccc(n1)NC(=O)c1ccc(cc1)[*:1]
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)s2)C1=O Fc1ccc(cc1)[*:1] CCCC[C@]1(NC(=O)N(CC(=O)c2ccc(C)s2)C1=O)[*:1]
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)s2)C1=O CCCC[*:1] Cc1ccc(s1)C(=O)CN1C(=O)N[C@@](C1=O)(c1ccc(F)cc1)[*:1]
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)s2)C1=O Cc1ccc(s1)C(=O)C[*:1] CCCC[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(F)cc1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)s2)C1=O Cc1ccc(s1)C(=O)[*:1] CCCC[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)s2)C1=O CCC[*:1] Cc1ccc(s1)C(=O)CN1C(=O)N[C@](C[*:1])(C1=O)c1ccc(F)cc1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)s2)C1=O Cc1ccc(s1)[*:1] CCCC[C@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc(F)cc1
CCNC(=O)c1ccc(CNC(=O)c2ccc(C)nc2C)cc1 CCNC(=O)[*:1] Cc1ccc(C(=O)NCc2ccc(cc2)[*:1])c(C)n1
C[C@H]([NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)c1ccc2c(c1)CCCC2 NC(=O)[*:1] C[C@H]([NH2+]C[C@@H]1CC[C@H](O1)[*:1])c1ccc2CCCCc2c1
CC(C)C/N=C1/CC(C)(C)CC([O-])=C1C(=S)Nc1ccccc1 CC(C)[*:1] CC1(C)CC([O-])=C(C(=S)Nc2ccccc2)/C(C1)=N\C[*:1]
CC(C)C/N=C1/CC(C)(C)CC([O-])=C1C(=S)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)C/N=C1/CC(C)(C)CC([O-])=C1C(=S)N[*:1]
CC(C)C/N=C1/CC(C)(C)CC([O-])=C1C(=S)Nc1ccccc1 CC(C)C[*:1] CC1(C)CC([O-])=C(C(=S)Nc2ccccc2)C(C1)=N[*:1]
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)OCOC2 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(cc2COCOc21)[*:1]
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)OCOC2 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc2COCOc2c(c1)[*:1]
CN(Cc1c(-c2ccccc2)nn(C)c1Cl)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(Cc1c(nn(C)c1Cl)-c1ccccc1)[C@@H]1CCC[C@H]1[*:1]
CN(Cc1c(-c2ccccc2)nn(C)c1Cl)[C@@H]1CCC[C@@H]1S(C)(=O)=O c1ccc(cc1)[*:1] CN(Cc1c(nn(C)c1Cl)[*:1])[C@@H]1CCC[C@@H]1S(C)(=O)=O
O[C@H](CNc1nc(-c2cccnc2)nc2c1C[NH2+]C2)c1ccccc1Cl c1cncc(c1)[*:1] O[C@H](CNc1nc(nc2C[NH2+]Cc21)[*:1])c1ccccc1Cl
O[C@H](CNc1nc(-c2cccnc2)nc2c1C[NH2+]C2)c1ccccc1Cl Clc1ccccc1[*:1] O[C@H](CNc1nc(nc2C[NH2+]Cc21)-c1cccnc1)[*:1]
CCO[C@@H](C[C@@H](OC)c1ccccc1)n1nnc2ccccc21 c1ccc(cc1)[*:1] CCO[C@@H](C[C@@H](OC)[*:1])n1nnc2ccccc21
CCO[C@@H](C[C@@H](OC)c1ccccc1)n1nnc2ccccc21 CCO[*:1] CO[C@H](C[C@@H](n1nnc2ccccc21)[*:1])c1ccccc1
CC(C)NC(=O)C[C@H](C)NC(=O)N(C)[C@@H]1CCc2ccccc2C1 CC(C)[*:1] C[C@@H](CC(=O)N[*:1])NC(=O)N(C)[C@@H]1CCc2ccccc2C1
CC(C)NC(=O)C[C@H](C)NC(=O)N(C)[C@@H]1CCc2ccccc2C1 CC(C)NC(=O)[*:1] C[C@@H](C[*:1])NC(=O)N(C)[C@@H]1CCc2ccccc2C1
CC(C)NC(=O)C[C@H](C)NC(=O)N(C)[C@@H]1CCc2ccccc2C1 CC(C)NC(=O)C[*:1] C[C@H](NC(=O)N(C)[C@@H]1CCc2ccccc2C1)[*:1]
CN1CCO[C@H](C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)C1 CC(C)(C)[*:1] CN1CCO[C@@H](C1)C(=O)Nc1ccc2nc(sc2c1)[*:1]
C[C@@H]1CN(c2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 O=[N+]([O-])[*:1] C[C@@H]1CN(CC[NH2+]1)c1cc(Cl)c(Cl)cc1[*:1]
CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1coc(-c2ccccc2)n1 CC[C@H](C)NC(=O)[*:1] C[C@@H](S(=O)(=O)Cc1coc(n1)-c1ccccc1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1coc(n1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1coc(-c2ccccc2)n1 CC[C@H](C)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1coc(n1)-c1ccccc1
CCOc1cc(CC[NH3+])ccc1OC[C@H]1C[C@H]2CC[C@@H]1C2 [NH3+]CC[*:1] CCOc1cc(ccc1OC[C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
CCOc1cc(CC[NH3+])ccc1OC[C@H]1C[C@H]2CC[C@@H]1C2 CCO[*:1] [NH3+]CCc1ccc(OC[C@H]2C[C@H]3CC[C@@H]2C3)c(c1)[*:1]
CC(C)=CCC[C@H](C)CC(=O)c1nccs1 c1csc(n1)[*:1] CC(C)=CCC[C@H](C)CC(=O)[*:1]
CC(C)=CCC[C@H](C)CC(=O)c1nccs1 CC(C)=C[*:1] C[C@@H](CC[*:1])CC(=O)c1nccs1
CC(C)=CCC[C@H](C)CC(=O)c1nccs1 CC(C)=CC[*:1] C[C@H](CC(=O)c1nccs1)C[*:1]
C[C@H](O)C[NH2+][C@@H]1CSCC(C)(C)C1 C[C@H](O)[*:1] CC1(C)CSC[C@H](C1)[NH2+]C[*:1]
C[C@H](O)C[NH2+][C@@H]1CSCC(C)(C)C1 C[C@H](O)C[*:1] CC1(C)CSC[C@H](C1)[NH2+][*:1]
COCc1c(C(=O)Nc2c(C)cccc2C)oc2ccccc12 COC[*:1] Cc1cccc(C)c1NC(=O)c1oc2ccccc2c1[*:1]
CC(C)[C@H](CC(=O)NCC(C)(C)[NH+](C)C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](CC(=O)NCC(C)(C)[NH+](C)C)[*:1]
CC(C)[C@H](CC(=O)NCC(C)(C)[NH+](C)C)c1ccccc1 CC(C)[*:1] C[NH+](C)C(C)(C)CNC(=O)C[C@H](c1ccccc1)[*:1]
C/C=C(/C)C(=O)O[C@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O CC=C(C)[*:1] COc1cc2oc(=O)ccc2cc1[C@H](O)[C@@H](OC(=O)[*:1])C(C)(C)O
C/C=C(/C)C(=O)O[C@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O CC(C)(O)[*:1] C/C=C(/C)C(=O)O[C@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)[*:1]
C/C=C(/C)C(=O)O[C@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O C/C=C(/C)C(=O)O[*:1] COc1cc2oc(=O)ccc2cc1[C@H](O)[C@H](C(C)(C)O)[*:1]
CC(C)Cn1cc[nH+]c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1=O c1ccc(cc1)C[*:1] CC(C)Cn1cc[nH+]c(c1=O)N1C[C@H]2OCCN([C@@H]2C1)[*:1]
CC(C)Cn1cc[nH+]c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1=O CC(C)[*:1] O=c1c([nH+]ccn1C[*:1])N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1
CC(C)Cn1cc[nH+]c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1=O CC(C)C[*:1] O=c1c([nH+]ccn1[*:1])N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1
CC(C)Cn1cc[nH+]c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1=O c1ccc(cc1)[*:1] CC(C)Cn1cc[nH+]c(c1=O)N1C[C@H]2OCCN(C[*:1])[C@@H]2C1
CCOc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 CCO[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)[C@@H]1CC(=O)N(C1)c1cccc(F)c1
CCOc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 CCOc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)[C@@H]1CC(=O)N(C1)c1cccc(F)c1)[*:1]
CCOc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 Fc1cccc(c1)[*:1] CCOc1ccc(cc1)[C@@H](C)N(C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCN1C[C@@H](C(=O)Nc2cc(C(=O)OC)ccc2Cl)CC1=O COC(=O)[*:1] CCN1C[C@H](CC1=O)C(=O)Nc1cc(ccc1Cl)[*:1]
Cc1cc(Cl)ccc1Nc1ncnc(NCc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)CN[*:1] Cc1cc(Cl)ccc1Nc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1cc(Cl)ccc1Nc1ncnc(NCc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)C[*:1] Cc1cc(Cl)ccc1Nc1ncnc(N[*:1])c1[N+](=O)[O-]
Cc1cc(Cl)ccc1Nc1ncnc(NCc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1Nc1ncnc(NC[*:1])c1[N+](=O)[O-]
Cc1cc(Cl)ccc1Nc1ncnc(NCc2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(Cl)ccc1Nc1ncnc(NCc2ccccc2)c1[*:1]
Cc1cc(Cl)ccc1Nc1ncnc(NCc2ccccc2)c1[N+](=O)[O-] Cc1cc(Cl)ccc1[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NCc1ccccc1
C[C@H]1CN(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)C[C@H](C)O1 O=C([O-])[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)N1CCO[C@@H](C1)C[*:1]
C[C@H]1CN(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)C[C@H](C)O1 O=C([O-])C[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)N1CCO[C@H](C1)[*:1]
C[C@H](NC(=O)N1CCC[C@@H](C)CC1)c1nc(-c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] C[C@H](NC(=O)N1CCC[C@@H](C)CC1)c1nc(no1)[*:1]
Cc1cc(C)c(CNC(=O)N(C)C2CCOCC2)c(C)c1 C1CC(CCO1)[*:1] Cc1cc(C)c(CNC(=O)N(C)[*:1])c(C)c1
CCOc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1Cl CCO[*:1] O=C1C[C@H](c2ccc(c(Cl)c2)[*:1])c2cc3OCOc3cc2N1
CCc1nn(C)cc1C(=O)N1CCSC[C@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] CCc1nn(C)cc1C(=O)N1CCSC[C@@H]1[*:1]
C[C@@H](Sc1nc2ccccc2o1)C(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](Sc1nc2ccccc2o1)C(=O)[*:1]
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 CC(C)[*:1] CC1(C)CC[C@@H](NC(=O)[C@@H]([NH2+]C2CCOCC2)[*:1])c2ccccc21
Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cccnc3)CC2=O)c1 c1cncc(c1)[*:1] Cc1ccc(C)c(c1)N1C[C@H](CC1=O)C(=O)N[*:1]
CCS(=O)(=O)c1ncc(Cl)c(-c2nnc(-c3ccc(C)cc3)o2)n1 Cc1ccc(cc1)[*:1] CCS(=O)(=O)c1ncc(Cl)c(n1)-c1nnc(o1)[*:1]
CCS(=O)(=O)c1ncc(Cl)c(-c2nnc(-c3ccc(C)cc3)o2)n1 CCS(=O)(=O)[*:1] Cc1ccc(cc1)-c1nnc(o1)-c1nc(ncc1Cl)[*:1]
CCN(Cc1ccccn1)S(=O)(=O)c1cnn(C(C)C)c1 c1ccc(nc1)[*:1] CCN(C[*:1])S(=O)(=O)c1cnn(c1)C(C)C
CCN(Cc1ccccn1)S(=O)(=O)c1cnn(C(C)C)c1 c1ccc(C[*:1])nc1 CCN(S(=O)(=O)c1cnn(c1)C(C)C)[*:1]
CCN(Cc1ccccn1)S(=O)(=O)c1cnn(C(C)C)c1 CC(C)[*:1] CCN(Cc1ccccn1)S(=O)(=O)c1cnn(c1)[*:1]
CN(C(=O)C1CC1)c1ccccc1C(=O)NC[C@](C)(O)c1ccco1 c1coc(c1)[*:1] CN(C(=O)C1CC1)c1ccccc1C(=O)NC[C@](C)(O)[*:1]
CN(C(=O)C1CC1)c1ccccc1C(=O)NC[C@](C)(O)c1ccco1 CN(C(=O)C1CC1)[*:1] C[C@](O)(CNC(=O)c1ccccc1[*:1])c1ccco1
CN(C(=O)C1CC1)c1ccccc1C(=O)NC[C@](C)(O)c1ccco1 C1CC1[*:1] CN(C(=O)[*:1])c1ccccc1C(=O)NC[C@](C)(O)c1ccco1
O=C(Cc1csc(Nc2ccccc2)n1)Nc1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)N[*:1])Nc1ccc2OCCOc2c1
O=C(Cc1csc(Nc2ccccc2)n1)Nc1ccc2c(c1)OCCO2 c1ccc(cc1)N[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc2OCCOc2c1
CC(=O)c1cccc(S(=O)(=O)N2CCOc3ccccc3C2)c1 CC(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCOc2ccccc2C1
O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N(CC1CC1)CC1CC1 c1nc(no1)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)[*:1])N(CC1CC1)CC1CC1
O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N(CC1CC1)CC1CC1 C1CC1C[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N(CC1CC1)[*:1]
O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N(CC1CC1)CC1CC1 C1CC1[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N(CC1CC1)C[*:1]
O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N(CC1CC1)CC1CC1 Clc1ccc(cc1)[*:1] O=C(N[C@@H](c1ncon1)[*:1])N(CC1CC1)CC1CC1
N#C/C(=C\c1cccs1)C(=O)NCc1cccs1 c1csc(c1)C[*:1] N#C/C(=C\c1cccs1)C(=O)N[*:1]
N#C/C(=C\c1cccs1)C(=O)NCc1cccs1 c1csc(c1)[*:1] N#CC(=C[*:1])C(=O)NCc1cccs1
N#C/C(=C\c1cccs1)C(=O)NCc1cccs1 c1csc(c1)[*:1] N#C/C(=C\c1cccs1)C(=O)NC[*:1]
O=C1O[C@H](c2c([O-])[nH]c(=O)n(-c3cccc(F)c3)c2=O)c2ccccc21 Fc1cccc(c1)[*:1] O=C1O[C@@H](c2ccccc21)c1c([O-])[nH]c(=O)n(c1=O)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)Nc2cn(C)nc2-c2ccccc2)CC1=O CCC[*:1] C[C@H](N1C[C@H](CC1=O)C(=O)Nc1cn(C)nc1-c1ccccc1)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)Nc2cn(C)nc2-c2ccccc2)CC1=O c1ccc(cc1)[*:1] CCC[C@H](C)N1C[C@H](CC1=O)C(=O)Nc1cn(C)nc1[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)Nc2cn(C)nc2-c2ccccc2)CC1=O CCC[C@H](C)[*:1] Cn1cc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])c(n1)-c1ccccc1
C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)Cn3c(nc4ccccc43)C(=O)N2Cc2ccc(F)cc2)[C@@H]1C Fc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)Cn3c(nc4ccccc43)C(=O)N2C[*:1])[C@@H]1C
C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)Cn3c(nc4ccccc43)C(=O)N2Cc2ccc(F)cc2)[C@@H]1C Fc1ccc(cc1)C[*:1] C[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)Cn3c(nc4ccccc43)C(=O)N2[*:1])[C@@H]1C
CCn1c(C(=O)NC[C@H]2CCCO2)cc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] CCn1c(cc2cc(ccc21)[*:1])C(=O)NC[C@H]1CCCO1
CCn1c(C(=O)NC[C@H]2CCCO2)cc2cc(S(=O)(=O)N(C)C)ccc21 C1CO[C@H](C1)[*:1] CCn1c(cc2cc(ccc21)S(=O)(=O)N(C)C)C(=O)NC[*:1]
CCn1c(C(=O)NC[C@H]2CCCO2)cc2cc(S(=O)(=O)N(C)C)ccc21 C1CO[C@H](C1)C[*:1] CCn1c(cc2cc(ccc21)S(=O)(=O)N(C)C)C(=O)N[*:1]
Cn1c2nc(S[C@@H](c3ccccc3)[C@H](O)c3ccccc3)nc-2c([O-])n(C)c1=O c1ccc(cc1)[*:1] Cn1c2nc(nc-2c([O-])n(C)c1=O)S[C@@H]([C@H](O)c1ccccc1)[*:1]
Cn1c2nc(S[C@@H](c3ccccc3)[C@H](O)c3ccccc3)nc-2c([O-])n(C)c1=O c1ccc(cc1)[*:1] Cn1c2nc(nc-2c([O-])n(C)c1=O)S[C@@H](c1ccccc1)[C@H](O)[*:1]
Cn1c2nc(S[C@@H](c3ccccc3)[C@H](O)c3ccccc3)nc-2c([O-])n(C)c1=O O[C@H](c1ccccc1)[*:1] Cn1c2nc(nc-2c([O-])n(C)c1=O)S[C@@H](c1ccccc1)[*:1]
CC(C)Cn1cc(NC(=O)Nc2ccc3c(c2)C(=O)CCC3)cn1 CC(C)C[*:1] O=C(Nc1ccc2CCCC(=O)c2c1)Nc1cnn(c1)[*:1]
CC(C)Cn1cc(NC(=O)Nc2ccc3c(c2)C(=O)CCC3)cn1 CC(C)[*:1] O=C(Nc1ccc2CCCC(=O)c2c1)Nc1cnn(c1)C[*:1]
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)C1=C(N)OC2CC(C)(C)CC(=O)C=2[C@@H]1[*:1]
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 CCOC(=O)[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C([C@@H]2c1ccc(Cl)cc1)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)CNC(=O)c1ccccc1Cl C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)CNC(=O)c1ccccc1Cl
CN(C[C@@H](O)C1CC1)C(=O)CNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] CN(C[C@@H](O)C1CC1)C(=O)CNC(=O)[*:1]
CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)c1 CCO[*:1] O=C(Nc1sc2CCCc2c1C(=O)NCc1cccnc1)c1cccc(c1)[*:1]
CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)c1 c1cncc(c1)C[*:1] CCOc1cccc(c1)C(=O)Nc1sc2CCCc2c1C(=O)N[*:1]
CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)c1 CCOc1cccc(c1)[*:1] O=C(NCc1cccnc1)c1c(NC(=O)[*:1])sc2CCCc21
CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)c1 O=C(NCc1cccnc1)[*:1] CCOc1cccc(c1)C(=O)Nc1sc2CCCc2c1[*:1]
CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)c1 c1cncc(c1)[*:1] CCOc1cccc(c1)C(=O)Nc1sc2CCCc2c1C(=O)NC[*:1]
CC[C@H](CCO)CNC(=O)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@H](CCO)CNC(=O)C[*:1]
CC[C@H](CCO)CNC(=O)C[C@H]1CCCO1 OCC[*:1] CC[C@H](CNC(=O)C[C@H]1CCCO1)[*:1]
CCN(C(=O)CCCO)[C@@H](C)COC OCC[*:1] CCN(C(=O)C[*:1])[C@@H](C)COC
CCN(C(=O)CCCO)[C@@H](C)COC COC[*:1] CCN(C(=O)CCCO)[C@@H](C)[*:1]
CCN(C(=O)CCCO)[C@@H](C)COC OCCC[*:1] CCN(C(=O)[*:1])[C@@H](C)COC
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)c2cccs2)cc1 c1csc(c1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)C(=O)[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)c2cccs2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)C(=O)c1cccs1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)c2cccs2)cc1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1ccc(cc1)C(=O)c1cccs1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)c2cccs2)cc1 O=C(c1cccs1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
O=C(Cc1cccc(C(F)(F)F)c1)Nc1ncccn1 FC(F)(F)[*:1] O=C(Cc1cccc(c1)[*:1])Nc1ncccn1
O=C(Cc1cccc(C(F)(F)F)c1)Nc1ncccn1 c1cnc(nc1)[*:1] O=C(Cc1cccc(c1)C(F)(F)F)N[*:1]
C#CCNC(=O)Cn1c(C)cc2ccccc21 C#CC[*:1] Cc1cc2ccccc2n1CC(=O)N[*:1]
CC(C)c1nc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)n[nH]1 CC(C)[*:1] O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1n[nH]c(n1)[*:1]
CCn1c(S[C@H](C)C(=O)Nc2cccc(Br)c2)nc2ccccc2c1=O Brc1cccc(c1)[*:1] CCn1c(nc2ccccc2c1=O)S[C@H](C)C(=O)N[*:1]
Cc1nc(C)c(-c2nnc(/N=C(\[O-])c3ccc(=O)[nH]c3)o2)s1 O=c1ccc(c[nH]1)[*:1] Cc1nc(C)c(s1)-c1nnc(/N=C(\[O-])[*:1])o1
Cc1nc(C)c(-c2nnc(/N=C(\[O-])c3ccc(=O)[nH]c3)o2)s1 Cc1nc(C)c(s1)[*:1] O=c1ccc(c[nH]1)/C([O-])=N/c1nnc(o1)[*:1]
Cc1ccc(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)c(Cl)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)NCCc2nc3cccnc3n2[*:1])c(Cl)c1
Cc1ccc(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(NCCc1nc2cccnc2n1Cc1ccccc1)N[*:1]
Cc1ccc(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)NCCc2nc3cccnc3n2C[*:1])c(Cl)c1
C[C@H]1COC[C@@H](C)N1Cc1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] C[C@H]1COC[C@@H](C)N1Cc1ccc(o1)[*:1]
Cc1ccc2ncc(C(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)n2c1 C1CCC(C1)[*:1] Cc1ccc2ncc(C(=O)N(c3cccc(c3)[N+](=O)[O-])[*:1])n2c1
Cc1ccc2ncc(C(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)n2c1 O=[N+]([O-])[*:1] Cc1ccc2ncc(C(=O)N(c3cccc(c3)[*:1])C3CCCC3)n2c1
Cc1ccc2ncc(C(=O)N(c3cccc([N+](=O)[O-])c3)C3CCCC3)n2c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc2ncc(C(=O)N(C3CCCC3)[*:1])n2c1
CCC(=O)OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 CCC(=O)O[*:1] O=C(C[*:1])Nc1nc2ccc(cc2s1)[N+](=O)[O-]
CCC(=O)OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 O=[N+]([O-])[*:1] CCC(=O)OCC(=O)Nc1nc2ccc(cc2s1)[*:1]
CCC(=O)OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 CCC(=O)OC[*:1] O=C(Nc1nc2ccc(cc2s1)[N+](=O)[O-])[*:1]
CC[C@@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc5c4CCCC5)CC3)ccc21 c1cc2CCCCc2c(c1)[*:1] CC[C@@H](C)n1nnc2cc(ccc21)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(C[NH+]2CCN([C@H](C)C(=O)N3CCCCC3)CC2)cc1OC O=C(N1CCCCC1)[*:1] COc1ccc(cc1OC)C[NH+]1CCN(CC1)[C@H](C)[*:1]
O=[N+]([O-])c1ccc(Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nc1 O=[N+]([O-])c1ccc(nc1)[*:1] c1ccc(cc1)-c1cnc(S[*:1])n1C[C@H]1CCCO1
O=[N+]([O-])c1ccc(Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nc1 O=[N+]([O-])[*:1] c1ccc(cc1)-c1cnc(Sc2ccc(cn2)[*:1])n1C[C@H]1CCCO1
O=[N+]([O-])c1ccc(Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(nc1)Sc1ncc(n1C[C@H]1CCCO1)[*:1]
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cccc(F)c1 C1CN(CCO1)[*:1] O=C(NC[C@H](c1cccs1)[*:1])c1cccc(F)c1
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NC[C@H](c1cccs1)N1CCOCC1)[*:1]
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cccc(F)c1 c1csc(c1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1cccc(F)c1
CNC(=O)C[NH+]1CCCN(CC2CCCCC2)CC1 CNC(=O)C[*:1] C1CCC(CC1)CN1CCC[NH+](CC1)[*:1]
CNC(=O)C[NH+]1CCCN(CC2CCCCC2)CC1 CNC(=O)[*:1] C1CCC(CC1)CN1CCC[NH+](CC1)C[*:1]
CNC(=O)C[NH+]1CCCN(CC2CCCCC2)CC1 C1CCC(CC1)[*:1] CNC(=O)C[NH+]1CCCN(CC1)C[*:1]
Cc1ccc(C)c(NS(=O)(=O)c2cc(-c3c(C)nn4c3NC(=O)CCC4=O)ccc2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])-c1c(C)nn2C(=O)CCC(=O)Nc12
O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2c[nH]c3ccccc23)c1 O=[N+]([O-])[*:1] O[C@@H](C[NH2+]CCc1c[nH]c2ccccc12)c1cccc(c1)[*:1]
Cc1cc([C@H]2[C@H]([NH3+])CCC(=O)N2C(C)(C)C)ccc1Br CC(C)(C)[*:1] Cc1cc(ccc1Br)[C@H]1[C@H]([NH3+])CCC(=O)N1[*:1]
O=C(CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(NC[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
O=C(CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCCCC1 O=[N+]([O-])[*:1] O=C(CNC(=O)N1CCc2ccc(cc2C1)[*:1])N1CCCCC1
O=C(COc1ccc(C(F)(F)F)cc1)N=c1[nH]c2ccccc2[nH]1 FC(F)(F)[*:1] O=C(COc1ccc(cc1)[*:1])N=c1[nH]c2ccccc2[nH]1
O=C(NCc1ccc(F)cc1)C(=O)Nc1cccc(Cn2cccn2)c1 Fc1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)Cn1cccn1)C(=O)N[*:1]
O=C(NCc1ccc(F)cc1)C(=O)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] O=C(NCc1ccc(F)cc1)C(=O)Nc1cccc(c1)[*:1]
O=C(NCc1ccc(F)cc1)C(=O)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] O=C(NCc1ccc(F)cc1)C(=O)Nc1cccc(c1)C[*:1]
O=C(NCc1ccc(F)cc1)C(=O)Nc1cccc(Cn2cccn2)c1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])C(=O)Nc1cccc(c1)Cn1cccn1
N#Cc1cc(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)ccc1F c1c[nH]c(n1)[*:1] N#Cc1cc(ccc1F)S(=O)(=O)N1CCC[C@H](C1)[*:1]
O=C(/C=C/c1ccc(Br)s1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(/C=C/c1ccc(Br)s1)N1CCN(CC1)[*:1]
O=C(/C=C/c1ccc(Br)s1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccc(Br)s1)N1CCN(CC1)C[*:1]
O=C(/C=C/c1ccc(Br)s1)N1CCN(Cc2ccccc2)CC1 Brc1ccc(s1)[*:1] O=C(C=C[*:1])N1CCN(CC1)Cc1ccccc1
COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)c1 Cc1ccc(C)c(c1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)OCCCO3)CC1 CC(C)C[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])Nc1ccc2OCCCOc2c1
CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)OCCCO3)CC1 CC(C)CC[*:1] O=C(NCC1CC[NH+](CC1)[*:1])Nc1ccc2OCCCOc2c1
CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)OCCCO3)CC1 CC(C)[*:1] O=C(NCC1CC[NH+](CC1)CC[*:1])Nc1ccc2OCCCOc2c1
Cc1ccc2nc([C@H]3CCCN(C(=O)CSCc4ccncc4)C3)[nH]c2c1 c1cc(ccn1)CSC[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc2nc([C@H]3CCCN(C(=O)CSCc4ccncc4)C3)[nH]c2c1 c1cc(ccn1)[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN(C1)C(=O)CSC[*:1]
Cc1ccc2nc([C@H]3CCCN(C(=O)CSCc4ccncc4)C3)[nH]c2c1 c1cc(ccn1)C[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN(C1)C(=O)CS[*:1]
Cc1ccc2nc([C@H]3CCCN(C(=O)CSCc4ccncc4)C3)[nH]c2c1 c1cc(ccn1)CS[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN(C1)C(=O)C[*:1]
Cn1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c1CCS(=O)(=O)C2 Fc1ccc(cc1)[*:1] Cn1nc(C(=O)N2CCN(CC2)[*:1])c2CS(=O)(=O)CCc21
COC(=O)[C@@H](NC(=O)C1CC1)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@H](NC(=O)C1CC1)[*:1]
COC(=O)[C@@H](NC(=O)C1CC1)c1ccc(C)cc1 C1CC1[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(C)cc1
COC(=O)[C@@H](NC(=O)C1CC1)c1ccc(C)cc1 O=C(N[*:1])C1CC1 COC(=O)[C@@H](c1ccc(C)cc1)[*:1]
C=CCSC1=NC(=O)[C@H]2C(=N1)N=C1CCCC([O-])=C1[C@H]2c1ccc(C)o1 Cc1ccc(o1)[*:1] C=CCSC1=NC(=O)[C@H]2C(N=C3CCCC([O-])=C3[C@@H]2[*:1])=N1
C=CCSC1=NC(=O)[C@H]2C(=N1)N=C1CCCC([O-])=C1[C@H]2c1ccc(C)o1 C=CC[*:1] Cc1ccc(o1)[C@@H]1C2C(CCCC=2[O-])=NC2=NC(=NC(=O)[C@@H]21)S[*:1]
c1cnc([C@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)cn1 c1cnc(cn1)[*:1] c1cc2OCOc2cc1CN1CCC[C@@H](C1)[*:1]
CCC(CC)NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N Cc1ccc(cc1)[*:1] CCC(CC)NC(=O)CSc1nnc(n1N)[*:1]
CCC(CC)NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N CCC(CC)[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N[*:1])n1N
CCOC[C@H]1CCN(C(=O)c2cccc(C)c2C)C1 CCOC[*:1] Cc1cccc(C(=O)N2CC[C@@H](C2)[*:1])c1C
CCOC[C@H]1CCN(C(=O)c2cccc(C)c2C)C1 CCO[*:1] Cc1cccc(C(=O)N2CC[C@@H](C2)C[*:1])c1C
CC(C)(C)OC(=O)N1CCCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCCN(CC1)C(=O)c1cccc(c1)-c1ccoc1
CC(C)(C)OC(=O)N1CCCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 c1cc(co1)[*:1] CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)c1cccc(c1)[*:1]
COc1cc2c(cc1OC)CN(C(=O)Cn1nnc(-c3ccsc3)n1)CC2 c1cc(cs1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)Cn1nnc(n1)[*:1]
CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)N[*:1]
CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1 CC(C)C(=O)N[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)Nc1ccc(F)cc1
CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1 CC(C)[*:1] O=C(Cn1c(CNC(=O)[*:1])nc2ccccc21)Nc1ccc(F)cc1
CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1 CC(C)C(=O)NC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])Nc1ccc(F)cc1
CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc2c(c1)nnn2C1CCCC1
CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)cc1 CCc1ccc(cc1)NC(=O)[*:1] O=C(c1ccc2c(c1)nnn2C1CCCC1)N1CCC(CC1)[*:1]
CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)cc1 C1CCC(C1)[*:1] CCc1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)nnn2[*:1]
Cc1ccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccc(F)c(F)c4)c3C2=O)cc1C Fc1ccc(cc1F)[*:1] Cc1ccc(cc1C)N1C(=O)c2cnc3c(c(C)nn3[*:1])c2C1=O
Cc1ccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccc(F)c(F)c4)c3C2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1nn(-c2ccc(F)c(F)c2)c2ncc3C(=O)N(C(=O)c3c12)[*:1]
C[C@H](NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)(C)C[NH+](C)C CS(=O)(=O)[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(cc1)[*:1])C(C)(C)C[NH+](C)C
COC[C@H](NC(=O)c1csc(C#CCCO)c1)C(C)C OCC[*:1] COC[C@H](NC(=O)c1csc(C#C[*:1])c1)C(C)C
COC[C@H](NC(=O)c1csc(C#CCCO)c1)C(C)C OCCC#C[*:1] COC[C@H](NC(=O)c1csc(c1)[*:1])C(C)C
COC[C@H](NC(=O)c1csc(C#CCCO)c1)C(C)C CC(C)[*:1] COC[C@H](NC(=O)c1csc(C#CCCO)c1)[*:1]
COC[C@H](NC(=O)c1csc(C#CCCO)c1)C(C)C COC[*:1] CC(C)[C@@H](NC(=O)c1csc(C#CCCO)c1)[*:1]
CCCn1cncc1-c1ncc2c(n1)CCC[C@H]2[NH2+]CC CCC[*:1] CC[NH2+][C@@H]1CCCc2nc(ncc21)-c1cncn1[*:1]
Cc1cc([C@H](C)NC(=O)NCCC(=O)NC2CCCCC2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)NCCC(=O)NC1CCCCC1)[*:1]
Cc1cc([C@H](C)NC(=O)NCCC(=O)NC2CCCCC2)c(C)s1 C1CCC(CC1)[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)NCCC(=O)N[*:1]
CCOc1ccc(F)c(C(=O)N(CC(F)(F)F)C2CCCC2)c1F FC(F)(F)[*:1] CCOc1ccc(F)c(C(=O)N(C[*:1])C2CCCC2)c1F
CCOc1ccc(F)c(C(=O)N(CC(F)(F)F)C2CCCC2)c1F CCO[*:1] O=C(c1c(F)ccc(c1F)[*:1])N(CC(F)(F)F)C1CCCC1
CCOc1ccc(F)c(C(=O)N(CC(F)(F)F)C2CCCC2)c1F FC(F)(F)C[*:1] CCOc1ccc(F)c(C(=O)N(C2CCCC2)[*:1])c1F
CCOc1ccc(F)c(C(=O)N(CC(F)(F)F)C2CCCC2)c1F C1CCC(C1)[*:1] CCOc1ccc(F)c(C(=O)N(CC(F)(F)F)[*:1])c1F
C[C@H]1CCCC[C@H]1NC(=O)CSc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)CSc1nnnn1[*:1]
COc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2)cn1 c1ccc(cc1)[*:1] COc1ccc(cn1)NC(=O)[C@H](C)NC(=O)[*:1]
COCCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 COCC[*:1] O=C(CNC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1Br)N[*:1]
COCCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 COC[*:1] O=C(CNC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1Br)NC[*:1]
COCCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 Brc1ccccc1[*:1] COCCNC(=O)CNC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COCCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 COCCNC(=O)C[*:1] O=C(N[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1Br
COCCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 COCCNC(=O)[*:1] O=C(NC[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1Br
CCC(=O)N(CC(F)(F)F)C1CCOCC1 FC(F)(F)C[*:1] CCC(=O)N(C1CCOCC1)[*:1]
CCC(=O)N(CC(F)(F)F)C1CCOCC1 FC(F)(F)[*:1] CCC(=O)N(C[*:1])C1CCOCC1
C[C@H]1CCCN(S(=O)(=O)c2ccc(CNc3cncc(-n4cccn4)n3)cc2)C1 c1cnn(c1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)CNc1cncc(n1)[*:1]
C/C(=C/c1ccccc1C)[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=Cc1ccccc1C)[*:1]
N#Cc1cccc(NCc2nc(-c3cccs3)no2)c1 c1csc(c1)[*:1] N#Cc1cccc(c1)NCc1nc(no1)[*:1]
COc1ccc(-n2nnc(C(=O)OCc3cccc(Cl)c3)c2C)cc1 Clc1cccc(c1)C[*:1] COc1ccc(cc1)-n1nnc(C(=O)O[*:1])c1C
COc1ccc(-n2nnc(C(=O)OCc3cccc(Cl)c3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)OCc1cccc(Cl)c1
COc1ccc(-n2nnc(C(=O)OCc3cccc(Cl)c3)c2C)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)-n1nnc(C(=O)OC[*:1])c1C
C[C@H](Cc1ccccc1)C(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] C[C@H](Cc1ccccc1)C(=O)NCc1cn(nn1)[*:1]
C[C@H](Cc1ccccc1)C(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] C[C@H](C[*:1])C(=O)NCc1cn(nn1)-c1ccccc1
C[C@H](Cc1ccccc1)C(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)C[*:1] C[C@H](C(=O)NCc1cn(nn1)-c1ccccc1)[*:1]
COc1ccc(N2C[C@@H](C(=O)N(CC#N)CC#N)CC2=O)cc1 N#CC[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N(CC#N)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1 CC(C)[*:1] CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(CC1)[C@@H](C#N)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)[C@H](C#N)N1CCN(CC1)C(=O)[C@H]1CSCN1C(=O)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1 CC(C)[C@H](C#N)[*:1] CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(CC1)[*:1]
Cn1cc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)c(n1)[*:1]
Cn1cc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)c(-c2ccccc2)n1 CC(C)(C)[*:1] Cn1cc(C[NH2+]C[C@H]2CCCO[C@H]2[*:1])c(n1)-c1ccccc1
O=C(NC1CC[NH+](C2CCCCCC2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)C1CCCCCC1)[*:1]
O=C(NC1CC[NH+](C2CCCCCC2)CC1)c1ccccc1 C1CCCC(CC1)[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1ccccc1
Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)NC[C@@H](C)CCO OCC[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)NC[C@@H](C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)NC[C@@H](C)CCO c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)C(=O)NC[C@@H](C)CCO)[*:1]
CCCCN1C(=O)C(=O)C2=C(c3ccc(C)cc3)O[C@]3(O)c4ccccc4C(O)(O)[C@@]213 CCCC[*:1] Cc1ccc(cc1)C1O[C@]2(O)c3ccccc3C(O)(O)[C@]23C=1C(=O)C(=O)N3[*:1]
CCCCN1C(=O)C(=O)C2=C(c3ccc(C)cc3)O[C@]3(O)c4ccccc4C(O)(O)[C@@]213 CCC[*:1] Cc1ccc(cc1)C1O[C@]2(O)c3ccccc3C(O)(O)[C@]23C=1C(=O)C(=O)N3C[*:1]
CCCCN1C(=O)C(=O)C2=C(c3ccc(C)cc3)O[C@]3(O)c4ccccc4C(O)(O)[C@@]213 Cc1ccc(cc1)[*:1] CCCCN1C(=O)C(=O)C2=C(O[C@]3(O)c4ccccc4C(O)(O)[C@@]213)[*:1]
Cc1cc(C(=O)Nc2cccc(-c3c[nH+]c4n3CCC4)c2)no1 Cc1cc(no1)[*:1] O=C(Nc1cccc(c1)-c1c[nH+]c2CCCn12)[*:1]
O=c1nc2nc(NCc3cc(F)ccc3F)ncc2c([O-])n1C1CCCC1 Fc1ccc(F)c(c1)C[*:1] O=c1nc2nc(ncc2c([O-])n1C1CCCC1)N[*:1]
O=c1nc2nc(NCc3cc(F)ccc3F)ncc2c([O-])n1C1CCCC1 Fc1ccc(F)c(c1)[*:1] O=c1nc2nc(ncc2c([O-])n1C1CCCC1)NC[*:1]
O=c1nc2nc(NCc3cc(F)ccc3F)ncc2c([O-])n1C1CCCC1 C1CCC(C1)[*:1] O=c1nc2nc(ncc2c([O-])n1[*:1])NCc1cc(F)ccc1F
CC(C)[C@@H](C)CC(=O)NC[C@H]1CCCN(c2ncccn2)C1 CC(C)[C@@H](C)C[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
CC(C)[C@@H](C)CC(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CC(C)[C@@H](C)CC(=O)NC[C@H]1CCCN(C1)[*:1]
CC(C)[C@@H](C)CC(=O)NC[C@H]1CCCN(c2ncccn2)C1 CC(C)[*:1] C[C@@H](CC(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
CC(C)[C@@H](C)CC(=O)NC[C@H]1CCCN(c2ncccn2)C1 CC(C)[C@@H](C)[*:1] O=C(C[*:1])NC[C@H]1CCCN(C1)c1ncccn1
COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)c1 COc1cccc(c1)[*:1] Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2[*:1]
COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)c1 Cc1ccccc1[*:1] COc1cccc(c1)[C@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)[*:1]
COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)c1 Cc1ccccc1C(=O)O[*:1] COc1cccc(c1)[C@H]1C(C#N)=C(N)Oc2cc(ccc21)[*:1]
O=C(N[C@H](c1nccs1)C1CC1)N1CCC[C@H]1COc1ccccc1 c1ccc(cc1)O[*:1] O=C(N[C@H](c1nccs1)C1CC1)N1CCC[C@H]1C[*:1]
O=C(N[C@H](c1nccs1)C1CC1)N1CCC[C@H]1COc1ccccc1 C1CC1[*:1] O=C(N[C@H](c1nccs1)[*:1])N1CCC[C@H]1COc1ccccc1
O=C(N[C@H](c1nccs1)C1CC1)N1CCC[C@H]1COc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](c1nccs1)C1CC1)N1CCC[C@H]1CO[*:1]
O=C(N[C@H](c1nccs1)C1CC1)N1CCC[C@H]1COc1ccccc1 c1ccc(cc1)OC[*:1] O=C(N[C@H](c1nccs1)C1CC1)N1CCC[C@@H]1[*:1]
O=C(N[C@H](c1nccs1)C1CC1)N1CCC[C@H]1COc1ccccc1 c1csc(n1)[*:1] O=C(N[C@H](C1CC1)[*:1])N1CCC[C@H]1COc1ccccc1
Cc1ccccc1C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 Cc1ccccc1[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)CCNC(=O)[*:1]
COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccccc1Br O=[N+]([O-])[*:1] COc1cc(C=C[*:1])ccc1OC(=O)c1ccccc1Br
COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccccc1Br Brc1ccccc1[*:1] COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)[*:1]
COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccccc1Br O=[N+]([O-])C=C[*:1] COc1cc(ccc1OC(=O)c1ccccc1Br)[*:1]
Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccn(-c3ccccc3)n1)CC2 c1ccc(cc1)[*:1] Cc1nc2CC[C@@H](Cn2n1)[NH2+]Cc1ccn(n1)[*:1]
COCCn1ccc2ccc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc21 COC[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc21 COCC[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)Nc1ccc2ccn(c2c1)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H]1CCC[C@H](C)C1 CC(C)[*:1] C[C@H]1CCC[C@H](C1)C(=O)NC[C@@H](C)C(=O)O[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H]1CCC[C@H](C)C1 CC(C)OC(=O)[*:1] C[C@H]1CCC[C@H](C1)C(=O)NC[C@@H](C)[*:1]
CC(C)C[C@H](NC(=O)N(C)[C@H](C)c1ccccn1)c1ccc(Cl)cc1 c1ccc(nc1)[*:1] CC(C)C[C@H](NC(=O)N(C)[C@H](C)[*:1])c1ccc(Cl)cc1
CC(C)C[C@H](NC(=O)N(C)[C@H](C)c1ccccn1)c1ccc(Cl)cc1 C[C@H](c1ccccn1)[*:1] CC(C)C[C@H](NC(=O)N(C)[*:1])c1ccc(Cl)cc1
CC(C)C[C@H](NC(=O)N(C)[C@H](C)c1ccccn1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)C[C@H](NC(=O)N(C)[C@H](C)c1ccccn1)[*:1]
CC(C)C[C@H](NC(=O)N(C)[C@H](C)c1ccccn1)c1ccc(Cl)cc1 CC(C)[*:1] C[C@H](c1ccccn1)N(C)C(=O)N[C@@H](C[*:1])c1ccc(Cl)cc1
CC(C)C[C@H](NC(=O)N(C)[C@H](C)c1ccccn1)c1ccc(Cl)cc1 CC(C)C[*:1] C[C@H](c1ccccn1)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 COc1cccc(OC)c1[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2)[*:1]
CC(C)[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)[*:1]
CC(C)[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccccn1 CC(C)[*:1] O=C(N[C@H](c1ccccn1)[*:1])c1nc2ccccc2c(=O)[nH]1
CCCC(=O)N1CC[NH+](Cc2nnnn2-c2ccc(OCC)cc2)CC1 CCC[*:1] CCOc1ccc(cc1)-n1nnnc1C[NH+]1CCN(CC1)C(=O)[*:1]
CCCC(=O)N1CC[NH+](Cc2nnnn2-c2ccc(OCC)cc2)CC1 CCO[*:1] CCCC(=O)N1CC[NH+](CC1)Cc1nnnn1-c1ccc(cc1)[*:1]
Clc1ccccc1[C@H](CNCc1nnnn1C1CC1)[NH+]1CCCC1 C1CC1[*:1] Clc1ccccc1[C@H](CNCc1nnnn1[*:1])[NH+]1CCCC1
Clc1ccccc1[C@H](CNCc1nnnn1C1CC1)[NH+]1CCCC1 Clc1ccccc1[*:1] C1CC[NH+](C1)[C@@H](CNCc1nnnn1C1CC1)[*:1]
Clc1ccccc1[C@H](CNCc1nnnn1C1CC1)[NH+]1CCCC1 C1CC1n1nnnc1[*:1] Clc1ccccc1[C@H](CNC[*:1])[NH+]1CCCC1
CCc1nn(C)cc1CNC(=O)[C@H](Cc1ccccc1)n1nnnc1C c1ccc(cc1)C[*:1] CCc1nn(C)cc1CNC(=O)[C@H](n1nnnc1C)[*:1]
CCc1nn(C)cc1CNC(=O)[C@H](Cc1ccccc1)n1nnnc1C CCc1nn(C)cc1[*:1] Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)[C@H](Cc1ccccc1)n1nnnc1C c1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)[C@H](C[*:1])n1nnnc1C
CCc1nn(C)cc1CNC(=O)[C@H](Cc1ccccc1)n1nnnc1C Cc1nnnn1[*:1] CCc1nn(C)cc1CNC(=O)[C@H](Cc1ccccc1)[*:1]
COc1ccccc1OCCC(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] COc1ccccc1OCCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccsc1CNC(=O)C[NH+](C)Cc1ncnn1C Cn1ncnc1[*:1] Cc1ccsc1CNC(=O)C[NH+](C)C[*:1]
Cc1ccsc1CNC(=O)C[NH+](C)Cc1ncnn1C Cc1ccsc1[*:1] Cn1ncnc1C[NH+](C)CC(=O)NC[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3Cl)CC2=O)c(C)c1 Clc1ccccc1[*:1] Cc1ccc(c(C)c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3Cl)CC2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)C[C@@H](C)NC(=O)[C@@H](C[NH3+])CC(C)C CC(C)C[*:1] CC(C)C[C@@H](C)NC(=O)[C@@H](C[NH3+])[*:1]
CC(C)C[C@@H](C)NC(=O)[C@@H](C[NH3+])CC(C)C CC(C)[*:1] CC(C)C[C@@H](C)NC(=O)[C@@H](C[NH3+])C[*:1]
CC(C)C[C@@H](C)NC(=O)[C@@H](C[NH3+])CC(C)C CC(C)C[*:1] CC(C)C[C@H](C[NH3+])C(=O)N[C@H](C)[*:1]
CC(C)C[C@@H](C)NC(=O)[C@@H](C[NH3+])CC(C)C CC(C)[*:1] CC(C)C[C@H](C[NH3+])C(=O)N[C@H](C)C[*:1]
Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](C[*:1])[NH+](C)C
Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C c1ccc(cc1)C[*:1] Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H]([NH+](C)C)[*:1]
C[C@@H](CCCO)NC(=O)NC[C@@H]1COc2ccccc2O1 OCCC[*:1] C[C@@H](NC(=O)NC[C@@H]1COc2ccccc2O1)[*:1]
C[C@@H](CCCO)NC(=O)NC[C@@H]1COc2ccccc2O1 OCC[*:1] C[C@@H](C[*:1])NC(=O)NC[C@@H]1COc2ccccc2O1
C[C@@H](CCCO)NC(=O)NC[C@@H]1COc2ccccc2O1 C[C@@H](CCCO)[*:1] O=C(NC[C@@H]1COc2ccccc2O1)N[*:1]
CCCOc1ccc(C(=O)CC[NH+]2CC3CCC(CC3)C2)cc1 CCC[*:1] O=C(CC[NH+]1CC2CCC(CC2)C1)c1ccc(cc1)O[*:1]
CCCOc1ccc(C(=O)CC[NH+]2CC3CCC(CC3)C2)cc1 CCCO[*:1] O=C(CC[NH+]1CC2CCC(CC2)C1)c1ccc(cc1)[*:1]
O=C(COc1ccc2ncccc2c1)NCC1CCCCC1 C1CCC(CC1)[*:1] O=C(COc1ccc2ncccc2c1)NC[*:1]
O=C(COc1ccc2ncccc2c1)NCC1CCCCC1 C1CCC(CC1)C[*:1] O=C(COc1ccc2ncccc2c1)N[*:1]
CC1CCN(S(=O)(=O)c2ccc(-c3nnc(SCC(N)=O)o3)cc2)CC1 NC(=O)CS[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1nnc(o1)[*:1]
CC1CCN(S(=O)(=O)c2ccc(-c3nnc(SCC(N)=O)o3)cc2)CC1 NC(=O)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1nnc(o1)SC[*:1]
CC1CCN(S(=O)(=O)c2ccc(-c3nnc(SCC(N)=O)o3)cc2)CC1 NC(=O)C[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1nnc(o1)S[*:1]
C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)C[*:1]
C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)C[C@H](O)[*:1]
COc1ccc(Cl)cc1Nc1nnc(-c2ccncc2)s1 c1cc(ccn1)[*:1] COc1ccc(Cl)cc1Nc1nnc(s1)[*:1]
CO[C@H](CNc1ccccc1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] CO[C@H](CNc1ccccc1[*:1])c1ccccc1
CO[C@H](CNc1ccccc1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](CNc1ccccc1[N+](=O)[O-])[*:1]
Cc1cc(N)n(-c2cc(Nc3ccc4c(c3)nc(C3CC3)n4C)ncn2)[nH+]1 C1CC1[*:1] Cc1cc(N)n([nH+]1)-c1cc(ncn1)Nc1ccc2c(c1)nc(n2C)[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N1CC[C@H](COCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CC[C@H](COC[*:1])C1
O=C(c1cnc([C@@H]2CCCO2)s1)N1CC[C@H](COCc2ccccc2)C1 c1ccc(cc1)CO[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CC[C@@H](C1)C[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N1CC[C@H](COCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CC[C@H](CO[*:1])C1
O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1nnc(o1)-c1ccc(Br)cc1)[*:1]
O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1F Brc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccccc1F
CCCSC1=NC(=O)C[C@@H](c2ccc(Cl)cc2Cl)[C@H]1C#N CCC[*:1] N#C[C@H]1C(=NC(=O)C[C@H]1c1ccc(Cl)cc1Cl)S[*:1]
Cc1cc(NC(=O)N2CCN(S(C)(=O)=O)CC2)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)N2CCN(CC2)S(C)(=O)=O)n(n1)[*:1]
Cc1cc(NC(=O)N2CCN(S(C)(=O)=O)CC2)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)N2CCN(CC2)S(C)(=O)=O)n(C[*:1])n1
COc1cccc(N2C[C@H](C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)CC2=O)c1 COc1cccc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC(CC1)c1nc2ccccc2[nH]1
COc1cccc(N2C[C@H](C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)CC2=O)c1 c1ccc2[nH]c(nc2c1)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
CC1(C)CC[C@H](CNC(=O)Cn2cc(C3CC3)nn2)c2ccccc21 c1c(nnn1[*:1])C1CC1 CC1(C)CC[C@H](CNC(=O)C[*:1])c2ccccc21
CC1(C)CC[C@H](CNC(=O)Cn2cc(C3CC3)nn2)c2ccccc21 C1CC1[*:1] CC1(C)CC[C@H](CNC(=O)Cn2cc(nn2)[*:1])c2ccccc21
CCCc1cc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n(C)n1 c1ccc(cc1)[*:1] CCCc1cc(NC(=O)[C@H]2CC(=O)N(C2)[C@@H](C)[*:1])n(C)n1
CCCc1cc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n(C)n1 CCC[*:1] C[C@@H](c1ccccc1)N1C[C@H](CC1=O)C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n(C)n1 C[C@@H](c1ccccc1)[*:1] CCCc1cc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])n(C)n1
CCOC(=O)[C@@H]1CCCN(C(=O)c2cccnc2Sc2ccc(Br)cc2)C1 CCOC(=O)[*:1] O=C(c1cccnc1Sc1ccc(Br)cc1)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2cccnc2Sc2ccc(Br)cc2)C1 Brc1ccc(cc1)S[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1cccnc1[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2cccnc2Sc2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1cccnc1S[*:1]
C[C@](O)(CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccco1 O=[N+]([O-])[*:1] C[C@](O)(CNc1ccc(c(c1)C(=O)N1CCCC1)[*:1])c1ccco1
C[C@](O)(CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccco1 c1coc(c1)[*:1] C[C@](O)(CNc1ccc(c(c1)C(=O)N1CCCC1)[N+](=O)[O-])[*:1]
C[C@](O)(CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1ccco1 O=C(N1CCCC1)[*:1] C[C@](O)(CNc1ccc(c(c1)[*:1])[N+](=O)[O-])c1ccco1
CCc1ccc(C(C)(C)NC(=O)c2ccc(C)c(NC(C)=O)c2)cc1 CCc1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1C)C(=O)NC(C)(C)[*:1]
CCc1ccc(C(C)(C)NC(=O)c2ccc(C)c(NC(C)=O)c2)cc1 CC(=O)N[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)c1ccc(C)c(c1)[*:1]
CCCOc1cc(C)ccc1NC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CCC[*:1] Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](C2)S(C)(=O)=O)c(c1)O[*:1]
CCCOc1cc(C)ccc1NC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CCCO[*:1] Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](C2)S(C)(=O)=O)c(c1)[*:1]
CCCOc1cc(C)ccc1NC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCCOc1cc(C)ccc1NC(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
CCc1ccc(C(C)(C)CNC(=O)c2ccc[n+]([O-])c2)cc1 [O-][n+]1cccc(c1)[*:1] CCc1ccc(cc1)C(C)(C)CNC(=O)[*:1]
Cc1cccc(S(=O)(=O)c2c(N)n(/N=C/c3ccccc3)c3nc4ccccc4nc23)c1 Cc1cccc(c1)S(=O)(=O)[*:1] Nc1c(c2nc3ccccc3nc2n1/N=C/c1ccccc1)[*:1]
Cc1cccc(S(=O)(=O)c2c(N)n(/N=C/c3ccccc3)c3nc4ccccc4nc23)c1 Cc1cccc(c1)[*:1] Nc1c(c2nc3ccccc3nc2n1/N=C/c1ccccc1)S(=O)(=O)[*:1]
Cc1cccc(S(=O)(=O)c2c(N)n(/N=C/c3ccccc3)c3nc4ccccc4nc23)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)c1c(N)n(N=C[*:1])c2nc3ccccc3nc12
COc1ccc(C[NH+](C)C2CCC2)c(OC)c1OC C1CC(C1)[*:1] COc1ccc(C[NH+](C)[*:1])c(OC)c1OC
COc1ccccc1NC(=O)c1ccccc1SCc1ccccc1 c1ccc(cc1)CS[*:1] COc1ccccc1NC(=O)c1ccccc1[*:1]
COc1ccccc1NC(=O)c1ccccc1SCc1ccccc1 c1ccc(cc1)C[*:1] COc1ccccc1NC(=O)c1ccccc1S[*:1]
COc1ccccc1NC(=O)c1ccccc1SCc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)c1ccccc1SC[*:1]
COc1ccccc1NC(=O)c1ccccc1SCc1ccccc1 COc1ccccc1[*:1] O=C(N[*:1])c1ccccc1SCc1ccccc1
C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C CS(=O)(=O)C[*:1] C[C@@H]([NH2+][C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)[*:1]
C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C CS(=O)(=O)[*:1] C[C@@H](C[*:1])[NH2+][C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
Cc1cccc(CC(=O)N2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1 Cc1cccc(c1)C[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)[*:1])Cc1ccccc1-c1cncnc1
Cc1cccc(CC(=O)N2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1 NC(=O)[*:1] Cc1cccc(c1)CC(=O)N1CCC[C@@](Cc2ccccc2-c2cncnc2)(C1)[*:1]
Cc1cccc(CC(=O)N2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1 c1ncc(cn1)[*:1] Cc1cccc(c1)CC(=O)N1CCC[C@](Cc2ccccc2[*:1])(C1)C(N)=O
Cc1cccc(CC(=O)N2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1 Cc1cccc(c1)[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)C[*:1])Cc1ccccc1-c1cncnc1
Cc1cnc([C@H](NC(=O)N2CCSC(C)(C)C2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H](NC(=O)N1CCSC(C)(C)C1)[*:1]
Cc1cnc([C@H](NC(=O)N2CCSC(C)(C)C2)C2CC2)s1 Cc1cnc(s1)[*:1] CC1(C)CN(CCS1)C(=O)N[C@H](C1CC1)[*:1]
C[C@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)c1ccc2ccccc2c1 CC(C)(C)[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)[*:1])c1ccc2ccccc2c1
Cn1nc(C(=O)NNC(=O)CCc2cccc(F)c2)c2ccccc2c1=O Fc1cccc(c1)[*:1] Cn1nc(C(=O)NNC(=O)CC[*:1])c2ccccc2c1=O
Cn1nc(C(=O)NNC(=O)CCc2cccc(F)c2)c2ccccc2c1=O Fc1cccc(c1)C[*:1] Cn1nc(C(=O)NNC(=O)C[*:1])c2ccccc2c1=O
Cn1nc(C(=O)NNC(=O)CCc2cccc(F)c2)c2ccccc2c1=O Fc1cccc(c1)CC[*:1] Cn1nc(C(=O)NNC(=O)[*:1])c2ccccc2c1=O
O=C(NC[C@H]1CCCO1)N[C@@H](c1ccc(Cl)cc1)c1ncon1 C1CO[C@H](C1)C[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N[*:1]
O=C(NC[C@H]1CCCO1)N[C@@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)N[C@@H](c1ncon1)[*:1]
O=C(NC[C@H]1CCCO1)N[C@@H](c1ccc(Cl)cc1)c1ncon1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])N[C@@H](c1ccc(Cl)cc1)c1ncon1
O=C(NC[C@H]1CCCO1)N[C@@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] O=C(NC[C@H]1CCCO1)N[C@@H](c1ccc(Cl)cc1)[*:1]
CC(C)Oc1ccccc1CN1C(=O)CN(c2ccccc2)C1=O CC(C)[*:1] O=C1CN(C(=O)N1Cc1ccccc1O[*:1])c1ccccc1
CC(C)Oc1ccccc1CN1C(=O)CN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)Oc1ccccc1CN1C(=O)CN(C1=O)[*:1]
CC(C)Oc1ccccc1CN1C(=O)CN(c2ccccc2)C1=O CC(C)O[*:1] O=C1CN(C(=O)N1Cc1ccccc1[*:1])c1ccccc1
CCN(Cc1ccccn1)C(=O)NC(CC)(CC)C(=O)[O-] O=C([O-])[*:1] CCN(Cc1ccccn1)C(=O)NC(CC)(CC)[*:1]
CCN(Cc1ccccn1)C(=O)NC(CC)(CC)C(=O)[O-] c1ccc(C[*:1])nc1 CCN(C(=O)NC(CC)(CC)C(=O)[O-])[*:1]
CCN(Cc1ccccn1)C(=O)NC(CC)(CC)C(=O)[O-] c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)NC(CC)(CC)C(=O)[O-]
CC[NH2+][C@H](c1ccn(Cc2c(Cl)cccc2Cl)c1)C(C)C CC(C)[*:1] CC[NH2+][C@H](c1ccn(c1)Cc1c(Cl)cccc1Cl)[*:1]
Clc1cccc(CSc2nnc(C3CC3)s2)c1 C1CC1[*:1] Clc1cccc(c1)CSc1nnc(s1)[*:1]
CCOc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccc(F)cc1F CCO[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1ccc(c(c1)S(=O)(=O)Nc1ccc(F)cc1F)[*:1]
CCOc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CCOc1ccc(cc1S(=O)(=O)N[*:1])N1C(=O)[C@H](C)CS1(=O)=O
O=C(Nc1ncn(-c2ccc(F)cc2)n1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 FC(F)(F)[*:1] O=C(Nc1ncn(n1)-c1ccc(F)cc1)c1cc2nc(cc(n2n1)[*:1])-c1ccc(F)cc1
O=C(Nc1ncn(-c2ccc(F)cc2)n1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 Fc1ccc(cc1)[*:1] O=C(Nc1ncn(n1)[*:1])c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccc(F)cc1
O=C(Nc1ncn(-c2ccc(F)cc2)n1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 Fc1ccc(cc1)[*:1] O=C(Nc1ncn(n1)-c1ccc(F)cc1)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
O=C(NCCCn1cc[nH+]c1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCn1cc[nH+]c1)N1C[C@@H]2CCCC[C@@]21[*:1]
C=CCNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C=CCNC(=O)C(=O)Nc1nc(cs1)[*:1]
C=CCNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 C=CC[*:1] O=C(Nc1nc(cs1)-c1ccccc1)C(=O)N[*:1]
O=CNc1cccc2nonc12 O=CN[*:1] c1cc(c2nonc2c1)[*:1]
CN(C[C@@H]1CCCCO1)C(=O)Cn1nnnc1C[NH+]1CCCCCC1 C1CC[C@H](OC1)[*:1] CN(C[*:1])C(=O)Cn1nnnc1C[NH+]1CCCCCC1
CN(C[C@@H]1CCCCO1)C(=O)Cn1nnnc1C[NH+]1CCCCCC1 C1CC[C@@H](C[*:1])OC1 CN(C(=O)Cn1nnnc1C[NH+]1CCCCCC1)[*:1]
CCOc1ccc(NC(=O)Cc2csc(NC(=O)C3CC3)n2)cc1 CCO[*:1] O=C(Cc1csc(n1)NC(=O)C1CC1)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)Cc2csc(NC(=O)C3CC3)n2)cc1 O=C(N[*:1])C1CC1 CCOc1ccc(cc1)NC(=O)Cc1csc(n1)[*:1]
CCOc1ccc(NC(=O)Cc2csc(NC(=O)C3CC3)n2)cc1 C1CC1[*:1] CCOc1ccc(cc1)NC(=O)Cc1csc(n1)NC(=O)[*:1]
CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1nc2ccccc2nc1N CC(C)(C)[*:1] Nc1nc2ccccc2nc1OCC[C@@H]1CCCCN1C(=O)O[*:1]
Cc1ccc(OC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1C CS(=O)(=O)[*:1] Cc1ccc(cc1C)OC(=O)c1nc(ncc1Cl)[*:1]
CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3cccc(Br)c3)c2n1 Brc1cccc(c1)[*:1] CSc1nc(NC(C)C)c2cnn(CCNC(=O)[*:1])c2n1
CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3cccc(Br)c3)c2n1 CC(C)[*:1] CSc1nc(N[*:1])c2cnn(CCNC(=O)c3cccc(Br)c3)c2n1
CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3cccc(Br)c3)c2n1 CC(C)N[*:1] CSc1nc(c2cnn(CCNC(=O)c3cccc(Br)c3)c2n1)[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1occc1C)C(N)=O CC[C@@H](C)[*:1] Cc1ccoc1C(=O)N[C@@H](C(N)=O)[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1occc1C)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@@H](NC(=O)c1occc1C)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)c1ccsc1C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] CN(c1ccsc1C(=O)NCc1ccc(F)cc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)c1ccsc1C(=O)NC[*:1]
C[C@H](Sc1ccccn1)C(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1 c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1
C[C@H](Sc1ccccn1)C(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1 c1ccc(nc1)S[*:1] C[C@H](C(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](O)C(C)(C)C O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)NCC[C@H](O)C(C)(C)C)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](O)C(C)(C)C CC(C)(C)[*:1] Cc1ccc(cc1S(=O)(=O)NCC[C@H](O)[*:1])[N+](=O)[O-]
N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3F)s2)cc1 N#Cc1ccc(cc1)[*:1] O=C(Nc1nnc(SC[*:1])s1)c1ccc(F)cc1F
N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3F)s2)cc1 Fc1ccc(c(F)c1)[*:1] N#Cc1ccc(cc1)CSc1nnc(NC(=O)[*:1])s1
CC(=O)Nc1c(C)ccc2nsnc12 CC(=O)N[*:1] Cc1ccc2nsnc2c1[*:1]
CC[C@@H]([NH3+])[C@H](SC1COC1)c1ccncc1 C1OCC1[*:1] CC[C@@H]([NH3+])[C@H](S[*:1])c1ccncc1
CC[C@@H]([NH3+])[C@H](SC1COC1)c1ccncc1 C1OCC1S[*:1] CC[C@@H]([NH3+])[C@H](c1ccncc1)[*:1]
C[C@@H]1C[C@@H](NC(=O)CC2CCC2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](NC(=O)CC2CCC2)C(=O)N1[*:1]
C[C@@H]1C[C@@H](NC(=O)CC2CCC2)C(=O)N1c1ccccc1 C1CC(C1)C[*:1] C[C@@H]1C[C@@H](NC(=O)[*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@@H](NC(=O)CC2CCC2)C(=O)N1c1ccccc1 C1CC(C1)[*:1] C[C@@H]1C[C@@H](NC(=O)C[*:1])C(=O)N1c1ccccc1
Cc1c(C(=O)N(C)CC(C)(C)O)cnn1-c1ccc(F)cc1 CC(C)(O)C[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)N(C)[*:1]
Cc1c(C(=O)N(C)CC(C)(C)O)cnn1-c1ccc(F)cc1 CC(C)(O)[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)N(C)C[*:1]
Cc1c(C(=O)N(C)CC(C)(C)O)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N(C)CC(C)(C)O
OC[C@]1([NH2+]C2CC2)CCC[C@H](SCC2CCCC2)C1 C1CC1[*:1] OC[C@@]1(CCC[C@@H](C1)SCC1CCCC1)[NH2+][*:1]
OC[C@]1([NH2+]C2CC2)CCC[C@H](SCC2CCCC2)C1 C1CCC(C1)C[*:1] OC[C@@]1(CCC[C@@H](C1)S[*:1])[NH2+]C1CC1
OC[C@]1([NH2+]C2CC2)CCC[C@H](SCC2CCCC2)C1 C1CCC(C1)[*:1] OC[C@@]1(CCC[C@@H](C1)SC[*:1])[NH2+]C1CC1
CC(C)c1nn(C)c(Cl)c1C(=O)NCCCCC1CCCC1 C1CCC(C1)CC[*:1] CC(C)c1nn(C)c(Cl)c1C(=O)NCC[*:1]
CC(C)c1nn(C)c(Cl)c1C(=O)NCCCCC1CCCC1 CC(C)[*:1] Cn1nc(c(C(=O)NCCCCC2CCCC2)c1Cl)[*:1]
CC(C)c1nn(C)c(Cl)c1C(=O)NCCCCC1CCCC1 C1CCC(C1)[*:1] CC(C)c1nn(C)c(Cl)c1C(=O)NCCCC[*:1]
CC(C)c1nn(C)c(Cl)c1C(=O)NCCCCC1CCCC1 C1CCC(C1)C[*:1] CC(C)c1nn(C)c(Cl)c1C(=O)NCCC[*:1]
C/C(=N/N=C1\NC(=O)C[C@@H](C(=O)Nc2ccc(Br)cc2)S1)c1ccccc1 c1ccc(cc1)[*:1] CC(=N/N=C1\NC(=O)C[C@H](S1)C(=O)Nc1ccc(Br)cc1)[*:1]
C/C(=N/N=C1\NC(=O)C[C@@H](C(=O)Nc2ccc(Br)cc2)S1)c1ccccc1 Brc1ccc(cc1)[*:1] C/C(=N/N=C1\NC(=O)C[C@H](S1)C(=O)N[*:1])c1ccccc1
C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)[C@@H](C)COC COC[*:1] C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)[C@@H](C)[*:1]
C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)[C@@H](C)COC COC[C@H](C)[*:1] C[NH2+][C@@H](C)c1cc(F)c(C)cc1N(C)[*:1]
Cc1ccccc1/C=N/n1c(-c2ccccc2C)n[nH]c1=S Cc1ccccc1[*:1] Cc1ccccc1/C=N/n1c(n[nH]c1=S)[*:1]
Cc1ccccc1/C=N/n1c(-c2ccccc2C)n[nH]c1=S Cc1ccccc1[*:1] Cc1ccccc1-c1n[nH]c(=S)n1N=C[*:1]
O=C(NCCCOC1CCOCC1)N1C[C@H]2CCCC[C@H]2C1 C1CC(CCO1)O[*:1] O=C(NCCC[*:1])N1C[C@H]2CCCC[C@H]2C1
O=C(NCCCOC1CCOCC1)N1C[C@H]2CCCC[C@H]2C1 C1CC(CCO1)[*:1] O=C(NCCCO[*:1])N1C[C@H]2CCCC[C@H]2C1
Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1
Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)ccc1[N+](=O)[O-] c1ccc(cc1)C[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(N[*:1])c(Cl)c1
Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)ccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(NC[*:1])c(Cl)c1
Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)ccc1[N+](=O)[O-] Cc1cc(ccc1[N+](=O)[O-])[*:1] O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)[C@@H]1CCCN1C(=O)[*:1]
Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)ccc1[N+](=O)[O-] c1ccc(cc1)CN[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1ccc(CN(Cc2ccncc2)C(=O)[C@H]2NCCc3[nH]c[nH+]c32)s1 c1cc(ccn1)C[*:1] Cc1ccc(CN(C(=O)[C@H]2NCCc3[nH]c[nH+]c32)[*:1])s1
Cc1ccc(CN(Cc2ccncc2)C(=O)[C@H]2NCCc3[nH]c[nH+]c32)s1 c1cc(ccn1)[*:1] Cc1ccc(CN(C[*:1])C(=O)[C@H]2NCCc3[nH]c[nH+]c32)s1
Cc1ccc(CN(Cc2ccncc2)C(=O)[C@H]2NCCc3[nH]c[nH+]c32)s1 Cc1ccc(C[*:1])s1 O=C([C@H]1NCCc2[nH]c[nH+]c21)N(Cc1ccncc1)[*:1]
Cc1ccc(CN(Cc2ccncc2)C(=O)[C@H]2NCCc3[nH]c[nH+]c32)s1 Cc1ccc(s1)[*:1] O=C([C@H]1NCCc2[nH]c[nH+]c21)N(Cc1ccncc1)C[*:1]
CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccc2Cl)[C@H](C#N)C(=O)N3)CC1 CC1CCN(CC1)[*:1] N#C[C@@H]1C(=O)Nc2nc([nH]c(=O)c2[C@@H]1c1ccccc1Cl)[*:1]
CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccc2Cl)[C@H](C#N)C(=O)N3)CC1 Clc1ccccc1[*:1] CC1CCN(CC1)c1nc2NC(=O)[C@@H](C#N)[C@@H](c2c(=O)[nH]1)[*:1]
CCOCc1ccc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cc1 CCOC[*:1] CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CCOCc1ccc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CCOCc1ccc(cc1)NC(=O)C(=O)N(C)C[*:1]
CCOCc1ccc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cc1 CCO[*:1] CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(cc1)C[*:1]
COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4c[nH]nc4C)C3)C2=O)c1 COc1cccc(c1)[*:1] Cc1n[nH]cc1C(=O)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4c[nH]nc4C)C3)C2=O)c1 COc1cccc(c1)C[*:1] Cc1n[nH]cc1C(=O)N1CC[C@]2(CCCN(C2=O)[*:1])C1
Cc1c([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)N3CCC3)c2)cnn1C Cc1c(cnn1C)[*:1] C[C@@H](NC(=O)c1ccc(F)c(c1)S(=O)(=O)N1CCC1)[*:1]
Cc1c([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)N3CCC3)c2)cnn1C O=S(=O)(N1CCC1)[*:1] Cc1c(cnn1C)[C@@H](C)NC(=O)c1ccc(F)c(c1)[*:1]
CCOc1cccc(NC[C@@H](C)Oc2ccccc2C)c1 CCO[*:1] Cc1ccccc1O[C@H](C)CNc1cccc(c1)[*:1]
CCOc1cccc(NC[C@@H](C)Oc2ccccc2C)c1 Cc1ccccc1[*:1] CCOc1cccc(c1)NC[C@@H](C)O[*:1]
O=C1c2ccccc2C(=O)N1CCn1cc(C(F)(F)F)ccc1=O FC(F)(F)[*:1] O=C1c2ccccc2C(=O)N1CCn1cc(ccc1=O)[*:1]
CC[C@H](C)n1ccc(C[C@H]([NH3+])c2ccc(F)cn2)n1 CC[C@H](C)[*:1] [NH3+][C@@H](Cc1ccn(n1)[*:1])c1ccc(F)cn1
CCC[C@]1(C(F)(F)F)CCCN1Cc1cccc(NC(C)=O)c1 CCC[*:1] CC(=O)Nc1cccc(c1)CN1CCC[C@]1(C(F)(F)F)[*:1]
CCC[C@]1(C(F)(F)F)CCCN1Cc1cccc(NC(C)=O)c1 CC(=O)N[*:1] CCC[C@@]1(CCCN1Cc1cccc(c1)[*:1])C(F)(F)F
CCC[C@]1(C(F)(F)F)CCCN1Cc1cccc(NC(C)=O)c1 FC(F)(F)[*:1] CCC[C@@]1(CCCN1Cc1cccc(c1)NC(C)=O)[*:1]
O=C(NCc1ccc(Oc2ccccc2)cc1)c1sccc1Br c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)O[*:1])c1sccc1Br
O=C(NCc1ccc(Oc2ccccc2)cc1)c1sccc1Br Brc1ccsc1[*:1] O=C(NCc1ccc(cc1)Oc1ccccc1)[*:1]
O=C(NCc1ccc(Oc2ccccc2)cc1)c1sccc1Br c1ccc(cc1)O[*:1] O=C(NCc1ccc(cc1)[*:1])c1sccc1Br
C=CCC(=O)c1ccccc1F C=CC[*:1] O=C(c1ccccc1F)[*:1]
CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccccc2)ccc1OC C[C@H](c1ccccc1)[*:1] CCNC(=O)c1cc(ccc1OC)S(=O)(=O)N[*:1]
CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccccc2)ccc1OC c1ccc(cc1)[*:1] CCNC(=O)c1cc(ccc1OC)S(=O)(=O)N[C@H](C)[*:1]
CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccccc2)ccc1OC CCNC(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N[C@H](C)c1ccccc1
O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc2c(c1)OCO2)N1CCCCC1 c1cc2OCOc2cc1C[*:1] O=C(c1cnc2ccc(Cl)cc2c1N[*:1])N1CCCCC1
O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc2c(c1)OCO2)N1CCCCC1 c1cc2OCOc2cc1[*:1] O=C(c1cnc2ccc(Cl)cc2c1NC[*:1])N1CCCCC1
O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc2c(c1)OCO2)N1CCCCC1 O=C(N1CCCCC1)[*:1] Clc1ccc2ncc(c(NCc3ccc4OCOc4c3)c2c1)[*:1]
CNc1nc(C2CCN(C(=O)c3ccncc3)CC2)[nH+]c2c1CN(C(C)=O)CC2 c1cc(ccn1)[*:1] CNc1nc([nH+]c2CCN(Cc12)C(C)=O)C1CCN(CC1)C(=O)[*:1]
COC(=O)[C@H]1CCN(C(=O)Cc2cccc(OCc3cccnc3)c2)C1 c1cncc(c1)CO[*:1] COC(=O)[C@H]1CCN(C1)C(=O)Cc1cccc(c1)[*:1]
COC(=O)[C@H]1CCN(C(=O)Cc2cccc(OCc3cccnc3)c2)C1 c1cncc(c1)C[*:1] COC(=O)[C@H]1CCN(C1)C(=O)Cc1cccc(c1)O[*:1]
COC(=O)[C@H]1CCN(C(=O)Cc2cccc(OCc3cccnc3)c2)C1 c1cncc(c1)[*:1] COC(=O)[C@H]1CCN(C1)C(=O)Cc1cccc(c1)OC[*:1]
COC(=O)[C@H]1CCN(C(=O)Cc2cccc(OCc3cccnc3)c2)C1 COC(=O)[*:1] O=C(Cc1cccc(c1)OCc1cccnc1)N1CC[C@@H](C1)[*:1]
Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)COc2ccccc2F)n1 c1csc(c1)[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)COc1ccccc1F)[*:1]
Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)COc2ccccc2F)n1 Cc1cc(=O)[nH]c(n1)[*:1] O=C(COc1ccccc1F)Nc1cc(nn1[*:1])-c1cccs1
Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)COc2ccccc2F)n1 Fc1ccccc1[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)CO[*:1])-c1cccs1
Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)COc2ccccc2F)n1 Fc1ccccc1O[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)C[*:1])-c1cccs1
Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)COc2ccccc2F)n1 Fc1ccccc1OC[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)[*:1])-c1cccs1
O=C(NC[C@H]1CCCO1)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 Brc1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)C1CCN(CC1)c1ccc(nn1)S[*:1]
O=C(NC[C@H]1CCCO1)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 Brc1ccc(cc1)S[*:1] O=C(NC[C@H]1CCCO1)C1CCN(CC1)c1ccc(nn1)[*:1]
O=C(NC[C@H]1CCCO1)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 O=C(NC[C@H]1CCCO1)[*:1] Brc1ccc(cc1)Sc1ccc(nn1)N1CCC(CC1)[*:1]
Cc1ccc(Cn2nc(C)c(CCC(=O)NCc3ccc[nH]3)c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(c(C)c1CCC(=O)NCc1ccc[nH]1)[*:1]
Cc1ccc(Cn2nc(C)c(CCC(=O)NCc3ccc[nH]3)c2C)cc1 c1c[nH]c(c1)C[*:1] Cc1ccc(cc1)Cn1nc(C)c(CCC(=O)N[*:1])c1C
Cc1ccc(Cn2nc(C)c(CCC(=O)NCc3ccc[nH]3)c2C)cc1 c1c[nH]c(c1)[*:1] Cc1ccc(cc1)Cn1nc(C)c(CCC(=O)NC[*:1])c1C
Cc1ccc(Cn2nc(C)c(CCC(=O)NCc3ccc[nH]3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CCC(=O)NCc1ccc[nH]1
C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 O=[N+]([O-])[*:1] C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(cc1)[*:1])c1ccccc1
C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(C(=O)Cc2ccccc2F)CC1 CC(C)(C)[*:1] C[C@@H](C(=O)NC(=O)N[*:1])N1CCN(CC1)C(=O)Cc1ccccc1F
C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1[*:1] C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(CC1)C(=O)C[*:1]
C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(CC1)C(=O)[*:1]
C[C@H](O)CCNC(=O)c1cn(C)nc1-c1ccccc1 C[C@H](O)CC[*:1] Cn1cc(C(=O)N[*:1])c(n1)-c1ccccc1
C[C@H](O)CCNC(=O)c1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H](O)CCNC(=O)c1cn(C)nc1[*:1]
C[C@H](O)CCNC(=O)c1cn(C)nc1-c1ccccc1 C[C@H](O)[*:1] Cn1cc(C(=O)NCC[*:1])c(n1)-c1ccccc1
C[C@H](O)CCNC(=O)c1cn(C)nc1-c1ccccc1 C[C@H](O)C[*:1] Cn1cc(C(=O)NC[*:1])c(n1)-c1ccccc1
CCCc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 CCC[*:1] O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)C[NH+]1CCCC1)[*:1]
Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N(C[C@@H](O)C[NH+]1CCCC1)c1ccccc1)[*:1]
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1)c1cccs1 O=C(c1cccs1)[*:1] O=C1C([O-])=C([C@@H](c2ccc(Cl)cc2)N1CC[NH+]1CCCC1)[*:1]
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1)c1cccs1 Clc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1[*:1])c1cccs1
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1)c1cccs1 c1csc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(Cl)cc2)N1CC[NH+]1CCCC1
O=C(CCc1ccncc1)Nc1ccc(F)cc1OCC1CC1 C1CC1C[*:1] O=C(CCc1ccncc1)Nc1ccc(F)cc1O[*:1]
O=C(CCc1ccncc1)Nc1ccc(F)cc1OCC1CC1 c1cc(ccn1)C[*:1] O=C(C[*:1])Nc1ccc(F)cc1OCC1CC1
O=C(CCc1ccncc1)Nc1ccc(F)cc1OCC1CC1 c1cc(ccn1)[*:1] O=C(CC[*:1])Nc1ccc(F)cc1OCC1CC1
O=C(CCc1ccncc1)Nc1ccc(F)cc1OCC1CC1 C1CC1[*:1] O=C(CCc1ccncc1)Nc1ccc(F)cc1OC[*:1]
O=C(CCc1ccncc1)Nc1ccc(F)cc1OCC1CC1 C1CC1CO[*:1] O=C(CCc1ccncc1)Nc1ccc(F)cc1[*:1]
COC(=O)[C@]1(C)CCN(Cc2cn(C)nc2-c2cccnc2)C1 c1cncc(c1)[*:1] COC(=O)[C@]1(C)CCN(Cc2cn(C)nc2[*:1])C1
COC(=O)[C@]1(C)CCN(Cc2cn(C)nc2-c2cccnc2)C1 COC(=O)[*:1] Cn1cc(CN2CC[C@@](C)(C2)[*:1])c(n1)-c1cccnc1
N#CCOc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 N#CCO[*:1] [NH3+][C@@H]1CCC[C@H](C1)Nc1cccc(c1)[*:1]
N#CCOc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 N#CC[*:1] [NH3+][C@@H]1CCC[C@H](C1)Nc1cccc(c1)O[*:1]
C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2[C@H]3CC[C@@H]2Cn2c(nc4ccccc4c2=O)C3)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(CC(=O)N2[C@H]3CC[C@@H]2Cn2c(C3)nc3ccccc3c2=O)C1=O)[*:1]
C[C@H]1CCC[C@@H](c2noc(CCCCO)n2)C1 OCCC[*:1] C[C@H]1CCC[C@H](C1)c1noc(C[*:1])n1
C[C@H]1CCC[C@@H](c2noc(CCCCO)n2)C1 OCCCC[*:1] C[C@H]1CCC[C@H](C1)c1noc(n1)[*:1]
C[C@H]1CCC[C@@H](c2noc(CCCCO)n2)C1 OCC[*:1] C[C@H]1CCC[C@H](C1)c1noc(CC[*:1])n1
CNS(=O)(=O)c1cc(-c2ccc(N[C@H](C)c3ccccc3)nn2)ccc1C C[C@H](c1ccccc1)[*:1] CNS(=O)(=O)c1cc(ccc1C)-c1ccc(nn1)N[*:1]
CNS(=O)(=O)c1cc(-c2ccc(N[C@H](C)c3ccccc3)nn2)ccc1C C[C@@H](N[*:1])c1ccccc1 CNS(=O)(=O)c1cc(ccc1C)-c1ccc(nn1)[*:1]
CNS(=O)(=O)c1cc(-c2ccc(N[C@H](C)c3ccccc3)nn2)ccc1C CNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])-c1ccc(nn1)N[C@H](C)c1ccccc1
CNS(=O)(=O)c1cc(-c2ccc(N[C@H](C)c3ccccc3)nn2)ccc1C c1ccc(cc1)[*:1] CNS(=O)(=O)c1cc(ccc1C)-c1ccc(nn1)N[C@H](C)[*:1]
COCCCN1C(=O)c2ccccc2N[C@]1(C)c1ccccc1 COCCC[*:1] C[C@@]1(Nc2ccccc2C(=O)N1[*:1])c1ccccc1
COCCCN1C(=O)c2ccccc2N[C@]1(C)c1ccccc1 COCC[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[*:1])c1ccccc1
COCCCN1C(=O)c2ccccc2N[C@]1(C)c1ccccc1 c1ccc(cc1)[*:1] COCCCN1C(=O)c2ccccc2N[C@@]1(C)[*:1]
COCCCN1C(=O)c2ccccc2N[C@]1(C)c1ccccc1 COC[*:1] C[C@@]1(Nc2ccccc2C(=O)N1CC[*:1])c1ccccc1
Cc1cc(/C=C/C(=O)N(C)C[C@H]2COc3ccccc3O2)c(C)n1Cc1ccco1 c1coc(c1)[*:1] Cc1cc(/C=C/C(=O)N(C)C[C@H]2COc3ccccc3O2)c(C)n1C[*:1]
Cc1cc(/C=C/C(=O)N(C)C[C@H]2COc3ccccc3O2)c(C)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1cc(/C=C/C(=O)N(C)C[C@H]2COc3ccccc3O2)c(C)n1[*:1]
CCc1nnsc1C(=O)N[C@](C)(CC)C(=O)[O-] O=C([O-])[*:1] CCc1nnsc1C(=O)N[C@](C)(CC)[*:1]
CCOC[C@H]1CCN(C(=O)c2cccc(N(C)C)c2)C1 CCOC[*:1] CN(C)c1cccc(c1)C(=O)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)c2cccc(N(C)C)c2)C1 CCO[*:1] CN(C)c1cccc(c1)C(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)c2cccc(N(C)C)c2)C1 CN(C)[*:1] CCOC[C@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCCCCC3)c2)cc1 CCOc1ccc(cc1)[*:1] O=C(NC1CCCCCC1)c1cccc(c1)NS(=O)(=O)[*:1]
CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCCCCC3)c2)cc1 CCO[*:1] O=C(NC1CCCCCC1)c1cccc(c1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCCCCC3)c2)cc1 C1CCCC(CC1)[*:1] CCOc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)N[*:1]
C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 O=[N+]([O-])[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccccc1
C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccc([C@@H](C)NC(=O)Cc2csc(N3CCNC3=O)n2)cc1F O=C1NCCN1[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)Cc1csc(n1)[*:1]
Cc1ccc([C@@H](C)NC(=O)Cc2csc(N3CCNC3=O)n2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)Cc1csc(n1)N1CCNC1=O)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](O)C2CC2)cc1 O=[N+]([O-])[*:1] O=S(=O)(NCC[C@@H](O)C1CC1)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](O)C2CC2)cc1 O[C@H](C[*:1])C1CC1 O=[N+]([O-])c1ccc(cc1)S(=O)(=O)NC[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](O)C2CC2)cc1 C1CC1[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)NCC[C@@H](O)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](O)C2CC2)cc1 O[C@@H](C1CC1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)NCC[*:1]
CC(=O)C[C@@H]1CCCN1C(=O)c1ccncc1 CC(=O)[*:1] O=C(c1ccncc1)N1CCC[C@H]1C[*:1]
CC(=O)C[C@@H]1CCCN1C(=O)c1ccncc1 CC(=O)C[*:1] O=C(c1ccncc1)N1CCC[C@H]1[*:1]
Cc1cccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(CN1CCN(CC1)c1ccc(nc1)[N+](=O)[O-])N[*:1]
Cc1cccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C O=[N+]([O-])[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)c2ccc(nc2)[*:1])c1C
Cc1cccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1C O=[N+]([O-])c1ccc(cn1)[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)[*:1])c1C
c1coc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)c1 c1coc(c1)[*:1] c1cn(cn1)-c1ccc(cn1)-c1noc(n1)[*:1]
c1coc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)c1 c1cn(cn1)[*:1] c1coc(c1)-c1nc(no1)-c1ccc(nc1)[*:1]
CCOc1ccc(S(=O)(=O)NCc2nc(C3CC3)no2)c(C)c1 CCO[*:1] Cc1cc(ccc1S(=O)(=O)NCc1nc(no1)C1CC1)[*:1]
CCOc1ccc(S(=O)(=O)NCc2nc(C3CC3)no2)c(C)c1 C1CC1[*:1] CCOc1ccc(c(C)c1)S(=O)(=O)NCc1nc(no1)[*:1]
CC(C)c1ccc(C(=O)N2CCN3NC(C(=O)N4CCCC4)=C[C@@H]3C2)c(=O)[nH]1 O=C(N1CCCC1)[*:1] CC(C)c1ccc(C(=O)N2CCN3NC(=C[C@@H]3C2)[*:1])c(=O)[nH]1
CC(C)c1ccc(C(=O)N2CCN3NC(C(=O)N4CCCC4)=C[C@@H]3C2)c(=O)[nH]1 CC(C)[*:1] O=C(C1=C[C@@H]2CN(CCN2N1)C(=O)c1ccc([nH]c1=O)[*:1])N1CCCC1
CSc1nc(C)c(CCC(=O)N2CCC(OCC(C)C)CC2)c(=O)[nH]1 CC(C)C[*:1] CSc1nc(C)c(CCC(=O)N2CCC(CC2)O[*:1])c(=O)[nH]1
CSc1nc(C)c(CCC(=O)N2CCC(OCC(C)C)CC2)c(=O)[nH]1 CC(C)[*:1] CSc1nc(C)c(CCC(=O)N2CCC(CC2)OC[*:1])c(=O)[nH]1
CSc1nc(C)c(CCC(=O)N2CCC(OCC(C)C)CC2)c(=O)[nH]1 CC(C)CO[*:1] CSc1nc(C)c(CCC(=O)N2CCC(CC2)[*:1])c(=O)[nH]1
COc1cccc(C(=O)OCc2nnc(C3CC3)n2C)c1F C1CC1[*:1] COc1cccc(C(=O)OCc2nnc(n2C)[*:1])c1F
O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)NS(=O)(=O)[*:1]
O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C1 O=S(=O)(N[*:1])c1ccccc1 O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 C[C@H](O)[*:1] C[C@H](CC(=O)Nc1cccc(c1)N1CCCC1)NC(=O)N(C)C[*:1]
C[C@H](O)CN(C)C(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H](O)CN(C)C(=O)N[C@H](C)CC(=O)Nc1cccc(c1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 C[C@H](O)C[*:1] C[C@H](CC(=O)Nc1cccc(c1)N1CCCC1)NC(=O)N(C)[*:1]
COC(=O)c1n[nH]cc1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 Clc1ccc(cc1Cl)[*:1] COC(=O)c1n[nH]cc1CN1CCO[C@@H](C1)[*:1]
COC(=O)c1n[nH]cc1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 COC(=O)[*:1] Clc1ccc(cc1Cl)[C@H]1CN(CCO1)Cc1c[nH]nc1[*:1]
O=S(=O)(NCc1ccccc1)NCC1(CO)CCOCC1 c1ccc(cc1)C[*:1] O=S(=O)(NCC1(CO)CCOCC1)N[*:1]
O=S(=O)(NCc1ccccc1)NCC1(CO)CCOCC1 c1ccc(cc1)[*:1] O=S(=O)(NCC1(CO)CCOCC1)NC[*:1]
O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)N[C@@H]1CCS(=O)(=O)C1 Fc1cccc(c1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)N[C@@H]1CCS(=O)(=O)C1
CCC(CC)[C@@H](C)[NH2+][C@@H](C)[C@@H](C)C(=O)[O-] CCC(CC)[*:1] C[C@H]([NH2+][C@H](C)[*:1])[C@@H](C)C(=O)[O-]
CCC(CC)[C@@H](C)[NH2+][C@@H](C)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] CCC(CC)[C@@H](C)[NH2+][C@@H](C)[C@@H](C)[*:1]
CCC(CC)[C@@H](C)[NH2+][C@@H](C)[C@@H](C)C(=O)[O-] C[C@@H](C(=O)[O-])[*:1] CCC(CC)[C@@H](C)[NH2+][C@@H](C)[*:1]
Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(F)c(C)c3)cn2CC(=O)N2CCCCC2)n1 Cc1cc(ccc1F)[*:1] Cc1csc(n1)-c1cc(cn1CC(=O)N1CCCCC1)S(=O)(=O)N[*:1]
Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(F)c(C)c3)cn2CC(=O)N2CCCCC2)n1 Cc1csc(n1)[*:1] Cc1cc(ccc1F)NS(=O)(=O)c1cc(n(c1)CC(=O)N1CCCCC1)[*:1]
Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(F)c(C)c3)cn2CC(=O)N2CCCCC2)n1 O=C(N1CCCCC1)[*:1] Cc1csc(n1)-c1cc(cn1C[*:1])S(=O)(=O)Nc1ccc(F)c(C)c1
Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(F)c(C)c3)cn2CC(=O)N2CCCCC2)n1 O=C(C[*:1])N1CCCCC1 Cc1csc(n1)-c1cc(cn1[*:1])S(=O)(=O)Nc1ccc(F)c(C)c1
COc1cccc(C(=O)OCc2nc(C3CC3)cs2)c1F C1CC1[*:1] COc1cccc(C(=O)OCc2nc(cs2)[*:1])c1F
CNS(=O)(=O)c1ccc(CNC(=O)c2c(C)nn(C)c2C)cc1 CNS(=O)(=O)[*:1] Cc1nn(C)c(C)c1C(=O)NCc1ccc(cc1)[*:1]
O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)N1CCC(Cn2ccnn2)CC1 c1cn(nn1)[*:1] O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)N1CCC(CC1)C[*:1]
O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)N1CCC(Cn2ccnn2)CC1 c1cn(C[*:1])nn1 O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)N1CCC(CC1)[*:1]
Cc1cccc(C2(NC(=O)[C@H]3CCO[C@@H]3C)CCCC2)c1 Cc1cccc(c1)[*:1] C[C@H]1OCC[C@@H]1C(=O)NC1(CCCC1)[*:1]
OC[C@@H]1CCCC[C@@H]1Nc1ccc2nnc(-c3ccccc3)n2n1 c1ccc(cc1)[*:1] OC[C@@H]1CCCC[C@@H]1Nc1ccc2nnc(n2n1)[*:1]
COC(=O)c1ccc(-c2c(C#N)c(N)nc3c2C[C@@H](C)CC3)cc1 COC(=O)[*:1] C[C@H]1CCc2nc(N)c(C#N)c(-c3ccc(cc3)[*:1])c2C1
CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCOc1ccccc1F Fc1ccccc1[*:1] CC[NH2+][C@]1(CCC[C@@H]1CCO[*:1])C(N)=O
CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCOc1ccccc1F NC(=O)[*:1] CC[NH2+][C@]1(CCC[C@@H]1CCOc1ccccc1F)[*:1]
COc1ccc(N(C(=O)COc2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 Brc1ccc(cc1)O[*:1] COc1ccc(cc1)N(C(=O)C[*:1])[C@H]1C=CS(=O)(=O)C1
COc1ccc(N(C(=O)COc2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 Brc1ccc(cc1)OC[*:1] COc1ccc(cc1)N(C(=O)[*:1])[C@H]1C=CS(=O)(=O)C1
COc1ccc(N(C(=O)COc2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)N(C(=O)CO[*:1])[C@H]1C=CS(=O)(=O)C1
COc1ccc(N(C(=O)COc2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1)N([C@H]1C=CS(=O)(=O)C1)[*:1]
C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1scnc1C1CC1 C1CC1[*:1] C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1scnc1[*:1]
CCCc1nsc(Oc2csc(C(=O)[O-])c2)n1 CCC[*:1] O=C([O-])c1cc(cs1)Oc1nc(ns1)[*:1]
CCCc1nsc(Oc2csc(C(=O)[O-])c2)n1 O=C([O-])[*:1] CCCc1nsc(n1)Oc1csc(c1)[*:1]
N#C/C(=C/c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C/c1ccccc1)c1nnc(N2CCOCC2)n1[*:1]
N#C/C(=C/c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 C1CN(CCO1)[*:1] N#C/C(=C/c1ccccc1)c1nnc(n1-c1ccccc1)[*:1]
N#C/C(=C/c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 c1ccc(cc1)[*:1] N#CC(=C[*:1])c1nnc(N2CCOCC2)n1-c1ccccc1
C[C@@H]1CCCC(C)(C)[C@H]1C[C@@H](C)[C@@H](C)O C[C@@H](O)[*:1] C[C@@H]1CCCC(C)(C)[C@H]1C[C@@H](C)[*:1]
C[C@@H]1CCCC(C)(C)[C@H]1C[C@@H](C)[C@@H](C)O C[C@@H](O)[C@H](C)[*:1] C[C@@H]1CCCC(C)(C)[C@H]1C[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NC2(c3ccccc3)CCC2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)NC1(CCC1)c1ccccc1
CC(=O)Nc1c(C)cc(NC(=O)NC2(c3ccccc3)CCC2)cc1C c1ccc(cc1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)NC1(CCC1)[*:1]
CN(CCOCC1CC1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O C1CC1[*:1] CN(CCOC[*:1])C(=O)[C@@H]1CCCCN1S(C)(=O)=O
CN(CCOCC1CC1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O C1CC1COC[*:1] CN(C[*:1])C(=O)[C@@H]1CCCCN1S(C)(=O)=O
CN(CCOCC1CC1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O C(C[*:1])OCC1CC1 CN(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)[*:1]
CN(CCOCC1CC1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O C1CC1C[*:1] CN(CCO[*:1])C(=O)[C@@H]1CCCCN1S(C)(=O)=O
CN(CCOCC1CC1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O C1CC1CO[*:1] CN(CC[*:1])C(=O)[C@@H]1CCCCN1S(C)(=O)=O
Cc1cnc(SCC[NH+]2CCOCC2)nc1[C@@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 c1cncc(c1)[*:1] Cc1cnc(nc1[C@@H]1CCCN(C1)C(=O)C=C[*:1])SCC[NH+]1CCOCC1
Cc1cnc(SCC[NH+]2CCOCC2)nc1[C@@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 C(=C[*:1])c1cccnc1 Cc1cnc(nc1[C@@H]1CCCN(C1)C(=O)[*:1])SCC[NH+]1CCOCC1
CCOc1cccc(C2CC([NH2+]C)C2)c1 CCO[*:1] C[NH2+]C1CC(C1)c1cccc(c1)[*:1]
N#C[C@H]1CNCCN1CC(=O)NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] N#C[C@H]1CNCCN1CC(=O)NC(=O)[*:1]
Cc1nnc(SCCC(=O)[O-])s1 O=C([O-])C[*:1] Cc1nnc(SC[*:1])s1
Cc1nnc(SCCC(=O)[O-])s1 O=C([O-])[*:1] Cc1nnc(SCC[*:1])s1
Cc1ccc(/C([O-])=N/S(=O)(=O)c2cc(F)ccc2F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])/C([O-])=N/S(=O)(=O)c1cc(F)ccc1F
Cc1ccc(/C([O-])=N/S(=O)(=O)c2cc(F)ccc2F)cc1[N+](=O)[O-] Fc1ccc(F)c(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])/C([O-])=N/S(=O)(=O)[*:1]
Cc1cc(C)c2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1 C1CN(CCO1)[*:1] Cc1cc(C)c2nc(nc(C)c2c1)NC1=NCN(CC[*:1])CN1
Cc1cc(C)c2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1 C1CN(CCO1)C[*:1] Cc1cc(C)c2nc(nc(C)c2c1)NC1=NCN(CN1)C[*:1]
Cc1cc(C)c2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1 C1CN(CCO1)CC[*:1] Cc1cc(C)c2nc(nc(C)c2c1)NC1=NCN(CN1)[*:1]
O[C@H](c1cccc(F)c1)c1c[nH]nc1-c1ccccc1 c1ccc(cc1)[*:1] O[C@H](c1cccc(F)c1)c1c[nH]nc1[*:1]
CC[C@@](C)([C@@H]([NH2+]C)[C@@H]1CCOC1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)([C@@H]([NH2+]C)[C@@H]1CCOC1)[*:1]
CC[C@@](C)([C@@H]([NH2+]C)[C@@H]1CCOC1)N1CCOCC1 C1C[C@H](CO1)[*:1] CC[C@@](C)([C@@H]([NH2+]C)[*:1])N1CCOCC1
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 c1ccc(cc1)[*:1] O=C(CN(C1CCCCC1)S(=O)(=O)[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CCN(CC1)[*:1]
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 C1CCC(CC1)[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=C(C1CC1)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1 c1coc(c1)C[*:1] O=C(C1CC1)N(Cc1c(noc1N1CCOCC1)-c1ccc(F)cc1)[*:1]
O=C(C1CC1)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1 c1coc(c1)[*:1] O=C(C1CC1)N(Cc1c(noc1N1CCOCC1)-c1ccc(F)cc1)C[*:1]
O=C(C1CC1)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1 Fc1ccc(cc1)[*:1] O=C(C1CC1)N(Cc1ccco1)Cc1c(noc1N1CCOCC1)[*:1]
O=C(C1CC1)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1 C1CC1[*:1] O=C(N(Cc1ccco1)Cc1c(noc1N1CCOCC1)-c1ccc(F)cc1)[*:1]
O=C(C1CC1)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(C1CC1)N(Cc1ccco1)Cc1c(noc1[*:1])-c1ccc(F)cc1
O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] O=C(Nc1ccc(Br)cc1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 Brc1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cccnc1
O=C(CCC(=O)c1ccccc1)NC[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])NC[C@H]1CCS(=O)(=O)C1
COc1ccnc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1 COc1ccnc(c1)[*:1] O=C(NC1CCC(CC1)C(=O)N[*:1])C1CCCC1
COc1ccnc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1 O=C(N[*:1])C1CCCC1 COc1ccnc(c1)NC(=O)C1CCC(CC1)[*:1]
COc1ccnc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1 C1CCC(C1)[*:1] COc1ccnc(c1)NC(=O)C1CCC(CC1)NC(=O)[*:1]
COC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(CC(C)(C)C)C2)cc1 COC(=O)[*:1] CC(C)(C)CN1C[C@H](CC1=O)[NH2+]Cc1ccc(cc1)[*:1]
COC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(CC(C)(C)C)C2)cc1 CC(C)(C)[*:1] COC(=O)c1ccc(cc1)C[NH2+][C@H]1CC(=O)N(C1)C[*:1]
COC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(CC(C)(C)C)C2)cc1 CC(C)(C)C[*:1] COC(=O)c1ccc(cc1)C[NH2+][C@H]1CC(=O)N(C1)[*:1]
O=S(=O)(c1ccccc1F)N1CCN(CCn2cc[nH+]c2-c2ccccc2)CC1 Fc1ccccc1[*:1] O=S(=O)(N1CCN(CC1)CCn1cc[nH+]c1-c1ccccc1)[*:1]
O=S(=O)(c1ccccc1F)N1CCN(CCn2cc[nH+]c2-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccccc1F)N1CCN(CC1)CCn1cc[nH+]c1[*:1]
CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCN(Cc1ccccc1)C(=O)c1ccc(cc1)[*:1]
CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)C[*:1] CCN(C(=O)c1ccc(cc1)-c1ccccc1)[*:1]
CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)-c1ccccc1
COCC[NH+](C)CC(=O)N(C)c1nc2ccccc2s1 COC[*:1] CN(C(=O)C[NH+](C)C[*:1])c1nc2ccccc2s1
COCC[NH+](C)CC(=O)N(C)c1nc2ccccc2s1 COCC[*:1] CN(C(=O)C[NH+](C)[*:1])c1nc2ccccc2s1
CCc1nn(C)cc1C(=O)N1CCC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)N1CCC[NH+](CC1)C[*:1]
CCc1nn(C)cc1C(=O)N1CCC[NH+](Cc2ccccc2)CC1 CCc1nn(C)cc1[*:1] O=C(N1CCC[NH+](CC1)Cc1ccccc1)[*:1]
CCc1nn(C)cc1C(=O)N1CCC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCc1nn(C)cc1C(=O)N1CCC[NH+](CC1)[*:1]
Cc1ccc2c(c1)c1nc(C)sc1n2Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccc2c(c1)c1nc(C)sc1n2C[*:1]
COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cn1 c1ccc(cc1)[*:1] COc1ccc(cn1)C[NH2+]Cc1ccc(cc1)[*:1]
CCc1[nH+]ccn1CCN1CCN(C(=O)Nc2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] CCc1[nH+]ccn1CCN1CCN(CC1)C(=O)N[*:1]
[NH3+]CCc1cn(Cc2sccc2Br)cn1 [NH3+]CC[*:1] Brc1ccsc1Cn1cnc(c1)[*:1]
CCOC(=O)c1c(NC(=O)[C@H]2CCO[C@H]2C)sc(C)c1CC CCOC(=O)[*:1] CCc1c(C)sc(NC(=O)[C@H]2CCO[C@H]2C)c1[*:1]
CC(C)[C@H](CS)CN1C(=O)NC2(CCCCC2)C1=O CC(C)[*:1] O=C1NC2(CCCCC2)C(=O)N1C[C@@H](CS)[*:1]
CCOc1ccc(F)c(C(=O)N2CCN(Cc3ccco3)CC2)c1F c1coc(c1)C[*:1] CCOc1ccc(F)c(C(=O)N2CCN(CC2)[*:1])c1F
CCOc1ccc(F)c(C(=O)N2CCN(Cc3ccco3)CC2)c1F CCO[*:1] O=C(c1c(F)ccc(c1F)[*:1])N1CCN(CC1)Cc1ccco1
CCOc1ccc(F)c(C(=O)N2CCN(Cc3ccco3)CC2)c1F c1coc(c1)[*:1] CCOc1ccc(F)c(C(=O)N2CCN(CC2)C[*:1])c1F
Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccccc3F)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccccc1F)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)[C@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccccc3F)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](N1CCN(CC1)C(=O)c1ccccc1F)[*:1]
CCC(CC)[C@H](CNC(=O)c1ccc(Br)o1)N1CCOCC1 CCC(CC)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1ccc(Br)o1
CCC(CC)[C@H](CNC(=O)c1ccc(Br)o1)N1CCOCC1 Brc1ccc(o1)[*:1] CCC(CC)[C@H](CNC(=O)[*:1])N1CCOCC1
CCC(CC)[C@H](CNC(=O)c1ccc(Br)o1)N1CCOCC1 C1CN(CCO1)[*:1] CCC(CC)[C@H](CNC(=O)c1ccc(Br)o1)[*:1]
CC(C)[NH+](CC(=O)NC1(C#N)CCCC1)CC(=O)NC1(C#N)CCCC1 CC(C)[*:1] N#CC1(CCCC1)NC(=O)C[NH+](CC(=O)NC1(C#N)CCCC1)[*:1]
CC(C)[NH+](CC(=O)NC1(C#N)CCCC1)CC(=O)NC1(C#N)CCCC1 N#CC1(CCCC1)[*:1] CC(C)[NH+](CC(=O)NC1(C#N)CCCC1)CC(=O)N[*:1]
Cc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccco2)c1 C(=C[*:1])c1ccco1 Cc1ccc(O)c(c1)NC(=S)NC(=O)[*:1]
Cc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccco2)c1 c1coc(c1)[*:1] Cc1ccc(O)c(c1)NC(=S)NC(=O)C=C[*:1]
COCc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)no1 COCc1cc(no1)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)[*:1]
COCc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)no1 N#Cc1cccnc1[*:1] COCc1cc(no1)C(=O)N1CCN(CC1)[*:1]
COCc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)no1 COC[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)c1cc(on1)[*:1]
CSC(C)(C)CNC(=O)c1ccc(-n2cccn2)c(F)c1 CSC(C)(C)C[*:1] O=C(N[*:1])c1ccc(c(F)c1)-n1cccn1
CSC(C)(C)CNC(=O)c1ccc(-n2cccn2)c(F)c1 c1cnn(c1)[*:1] CSC(C)(C)CNC(=O)c1ccc(c(F)c1)[*:1]
CSC(C)(C)CNC(=O)c1ccc(-n2cccn2)c(F)c1 CSC(C)(C)[*:1] O=C(NC[*:1])c1ccc(c(F)c1)-n1cccn1
COCC[NH2+]C[C@@](C)(O)c1ccc(Cl)cc1F COC[*:1] C[C@@](O)(C[NH2+]C[*:1])c1ccc(Cl)cc1F
COCC[NH2+]C[C@@](C)(O)c1ccc(Cl)cc1F COCC[*:1] C[C@@](O)(C[NH2+][*:1])c1ccc(Cl)cc1F
N#CSCC(=O)Nc1cccc([N+](=O)[O-])c1 N#CSC[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])[*:1]
N#CSCC(=O)Nc1cccc([N+](=O)[O-])c1 N#CS[*:1] O=C(C[*:1])Nc1cccc(c1)[N+](=O)[O-]
N#CSCC(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#CSCC(=O)Nc1cccc(c1)[*:1]
Cc1cc(NC(=O)[C@H]2CCOc3ccccc32)n(-c2ccccc2F)n1 Fc1ccccc1[*:1] Cc1cc(NC(=O)[C@H]2CCOc3ccccc32)n(n1)[*:1]
CC(C)([C@@H](O)Cc1ccccn1)[NH+]1CCCCC1 c1ccc(nc1)[*:1] CC(C)([C@@H](O)C[*:1])[NH+]1CCCCC1
COc1ccccc1/C=c1/sc2nnc(-c3ccc(Cl)cc3)n2c1=O Clc1ccc(cc1)[*:1] COc1ccccc1/C=c1/sc2nnc(n2c1=O)[*:1]
COc1ccccc1/C=c1/sc2nnc(-c3ccc(Cl)cc3)n2c1=O COc1ccccc1[*:1] O=c1c(=C[*:1])sc2nnc(-c3ccc(Cl)cc3)n12
CN(C(=O)/C=C/c1ccc(Cl)nc1)[C@H]1CCCN(c2ccccc2)C1=O Clc1ccc(cn1)[*:1] CN(C(=O)C=C[*:1])[C@H]1CCCN(C1=O)c1ccccc1
CN(C(=O)/C=C/c1ccc(Cl)nc1)[C@H]1CCCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(C(=O)/C=C/c1ccc(Cl)nc1)[C@H]1CCCN(C1=O)[*:1]
O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc(n[nH]1)-c1ccc(F)cc1)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1
CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C3CCCCC3)cc2)C1 C1CCC(CC1)[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@H](C)c1ccc(cc1)[*:1]
O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 C(CN1CCOCC1)C[*:1] O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(C1)[*:1]
O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 C1CN(CCO1)CC[*:1] O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(C1)C[*:1]
O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 C1CN(CCO1)C[*:1] O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(CC[*:1])C1
O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 Fc1cccc(c1)[*:1] O=C(NC[*:1])[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1
O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 C1CN(CCO1)[*:1] O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(CCC[*:1])C1
O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 Fc1cccc(c1)C[*:1] O=C(N[*:1])[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1
O=C(CSc1nnc2n(Cc3cccs3)c(=O)c3sccc3n12)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CSc1nnc2n(Cc3cccs3)c(=O)c3sccc3n12)N[*:1]
O=C(CSc1nnc2n(Cc3cccs3)c(=O)c3sccc3n12)Nc1cccc(Cl)c1 O=C(Nc1cccc(Cl)c1)[*:1] O=c1c2sccc2n2c(nnc2n1Cc1cccs1)SC[*:1]
O=C(CSc1nnc2n(Cc3cccs3)c(=O)c3sccc3n12)Nc1cccc(Cl)c1 c1csc(c1)[*:1] O=C(CSc1nnc2n(C[*:1])c(=O)c3sccc3n12)Nc1cccc(Cl)c1
O=C(CSc1nnc2n(Cc3cccs3)c(=O)c3sccc3n12)Nc1cccc(Cl)c1 c1csc(c1)C[*:1] O=C(CSc1nnc2n(c(=O)c3sccc3n12)[*:1])Nc1cccc(Cl)c1
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCCC3)c2)CC1 C1CCCC(CC1)[*:1] CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
Cc1cccc(NC(=O)CN2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1C c1ccc2c(c[nH]c2c1)[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)C(=O)CCC[*:1])c1C
Cc1cccc(NC(=O)CN2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1C Cc1cccc(c1C)[*:1] O=C(CN1CCN(CC1)C(=O)CCCc1c[nH]c2ccccc12)N[*:1]
Cc1cccc(NC(=O)CN2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1C c1ccc2c(c[nH]c2c1)C[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)C(=O)CC[*:1])c1C
Cc1ccc(N(C)C(=O)CCCn2ccnn2)c(C)c1 c1cn(C[*:1])nn1 Cc1ccc(c(C)c1)N(C)C(=O)CC[*:1]
Cc1ccc(N(C)C(=O)CCCn2ccnn2)c(C)c1 c1cn(nn1)[*:1] Cc1ccc(c(C)c1)N(C)C(=O)CCC[*:1]
C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 Cc1ccc(cc1Cl)[*:1] C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)C(=O)N[*:1]
C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 Clc1ccc(cc1)[*:1] C/C(CC(=O)NC[*:1])=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1
C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 Clc1ccc(cc1)C[*:1] C/C(CC(=O)N[*:1])=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1
C=CCN1C(=O)[C@](C)(CC)NC(=O)c2ccccc21 C=CC[*:1] CC[C@]1(C)NC(=O)c2ccccc2N(C1=O)[*:1]
CCOc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(OC)c4)=NN3C(C)=O)cc2c1 COc1cccc(c1)[*:1] CCOc1ccc2nc(Cl)c(cc2c1)[C@@H]1CC(=NN1C(C)=O)[*:1]
CCOc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(OC)c4)=NN3C(C)=O)cc2c1 CCO[*:1] COc1cccc(c1)C1C[C@@H](c2cc3cc(ccc3nc2Cl)[*:1])N(N=1)C(C)=O
CCOc1cccc(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)c1 CCO[*:1] CCN(C1CC[NH+](CC1)Cc1cccc(c1)[*:1])S(C)(=O)=O
CCOc1cccc(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)c1 CCN(S(C)(=O)=O)[*:1] CCOc1cccc(c1)C[NH+]1CCC(CC1)[*:1]
Cc1nc(SCC(=O)c2ccco2)nc(C)c1C c1coc(c1)[*:1] Cc1nc(nc(C)c1C)SCC(=O)[*:1]
Cc1ccccc1OCC(=O)N[C@H]1CCCn2c(C)nnc21 Cc1ccccc1[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)CO[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NC1CCC(C)CC1 CC1CCC(CC1)[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NC1CCC(C)CC1 O=C(N1CCCC1)[*:1] Cc1cccc(c1NC(=O)C(=O)NC1CCC(C)CC1)[*:1]
CCCNC(=O)[C@H](C)Nc1ccc(C(N)=O)nn1 CCCNC(=O)[*:1] C[C@H](Nc1ccc(nn1)C(N)=O)[*:1]
CCCNC(=O)[C@H](C)Nc1ccc(C(N)=O)nn1 CCC[*:1] C[C@H](Nc1ccc(nn1)C(N)=O)C(=O)N[*:1]
CCCNC(=O)[C@H](C)Nc1ccc(C(N)=O)nn1 NC(=O)[*:1] CCCNC(=O)[C@H](C)Nc1ccc(nn1)[*:1]
C[C@H]1C[C@H](C)C[NH+](C[C@@H](C)NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 c1cc(cc[nH+]1)[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C[C@@H](C)NC(=O)N1CCN(CC1)[*:1]
O=C1O[C@@H](C(=O)Nc2ccccc2-n2cnnn2)Cc2ccccc21 c1nnnn1[*:1] O=C1O[C@H](Cc2ccccc21)C(=O)Nc1ccccc1[*:1]
CCN(CCC#N)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 N#CC[*:1] CCN(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C[*:1]
CCN(CCC#N)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 N#CCC[*:1] CCN(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)[*:1]
CCN(CCC#N)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 CCN(CCC#N)[*:1] Cc1ccc(cc1C)[C@H](C)NC(=O)C[*:1]
CC(C)c1nc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)nn1-c1cccc(F)c1 CC(C)[*:1] C[C@@H](CNC(=O)c1nc(n(n1)-c1cccc(F)c1)[*:1])Cn1cc[nH+]c1
CC(C)c1nc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)nn1-c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)c1nc(nn1[*:1])C(=O)NC[C@H](C)Cn1cc[nH+]c1
O=C1CCCN1CCC[NH2+]Cc1ccccc1F O=C1CCCN1[*:1] Fc1ccccc1C[NH2+]CCC[*:1]
Clc1ccccc1C[NH2+]Cc1csc(-c2ccco2)n1 c1coc(c1)[*:1] Clc1ccccc1C[NH2+]Cc1csc(n1)[*:1]
C[C@@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(-n2cccn2)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CNC(=O)[*:1])c1ccc(cc1)-n1cccn1
O=C(NC[C@H]1CCCO1)C1CCOCC1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])C1CCOCC1
CN(C(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)C1CC1 c1ccc(cc1)C[*:1] CN(C(=O)CN1CCN(CC1)CC(=O)N[*:1])C1CC1
CN(C(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)C1CC1 C1CC1[*:1] CN(C(=O)CN1CCN(CC1)CC(=O)NCc1ccccc1)[*:1]
CN(C(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)C1CC1 c1ccc(cc1)[*:1] CN(C(=O)CN1CCN(CC1)CC(=O)NC[*:1])C1CC1
CN(C(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)C1CC1 CN(C(=O)[*:1])C1CC1 O=C(CN1CCN(CC1)C[*:1])NCc1ccccc1
CN(C(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)C1CC1 CN(C(=O)C[*:1])C1CC1 O=C(CN1CCN(CC1)[*:1])NCc1ccccc1
Cc1ccc(Cn2nc(C)c(C(=O)N3CCC[C@@H](O)C3)c2Cl)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)N1CCC[C@@H](O)C1
Cc1ccc(Cn2nc(C)c(C(=O)N3CCC[C@@H](O)C3)c2Cl)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)N1CCC[C@@H](O)C1)[*:1]
CCN[C@@]1(C(=O)OCC)CCC[C@H](N2CCO[C@H](C)C2)C1 CCN[*:1] CCOC(=O)[C@]1(CCC[C@@H](C1)N1CCO[C@H](C)C1)[*:1]
CCN[C@@]1(C(=O)OCC)CCC[C@H](N2CCO[C@H](C)C2)C1 C[C@@H]1CN(CCO1)[*:1] CCN[C@]1(CCC[C@H](C1)[*:1])C(=O)OCC
CCN[C@@]1(C(=O)OCC)CCC[C@H](N2CCO[C@H](C)C2)C1 CCOC(=O)[*:1] CCN[C@]1(CCC[C@@H](C1)N1CCO[C@H](C)C1)[*:1]
CCC(CC)CNC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 CCC(CC)C[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[*:1]
CCC(CC)CNC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 CCC(CC)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NC[*:1]
CCC[C@H](C)c1c([O-])nc(=S)n(CC)c1[O-] CCC[C@H](C)[*:1] CCn1c([O-])c(c([O-])nc1=S)[*:1]
CCC[C@H](C)c1c([O-])nc(=S)n(CC)c1[O-] CCC[*:1] CCn1c([O-])c(c([O-])nc1=S)[C@@H](C)[*:1]
Cc1cccnc1COc1cc(N(C)C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccnc1COc1cc(ccc1[*:1])N(C)C
Cc1cccnc1COc1cc(N(C)C)ccc1[N+](=O)[O-] CN(C)[*:1] Cc1cccnc1COc1cc(ccc1[N+](=O)[O-])[*:1]
Cc1cccnc1COc1cc(N(C)C)ccc1[N+](=O)[O-] Cc1cccnc1[*:1] CN(C)c1ccc(c(c1)OC[*:1])[N+](=O)[O-]
O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1I Ic1ccccc1[*:1] O=C(Cn1cnc2ccccc2c1=O)N[*:1]
COc1ccc(/C=N/Nc2nnc(SCC(C)C)[nH]2)cc1 CC(C)[*:1] COc1ccc(/C=N/Nc2nnc([nH]2)SC[*:1])cc1
COc1ccc(/C=N/Nc2nnc(SCC(C)C)[nH]2)cc1 CC(C)C[*:1] COc1ccc(/C=N/Nc2nnc([nH]2)S[*:1])cc1
COc1ccc(/C=N/Nc2nnc(SCC(C)C)[nH]2)cc1 CC(C)CS[*:1] COc1ccc(/C=N/Nc2nnc([nH]2)[*:1])cc1
C[C@H](c1ccco1)N(C(=O)Nc1cccc(Oc2ccccn2)c1)C1CC1 c1ccc(nc1)O[*:1] C[C@H](c1ccco1)N(C(=O)Nc1cccc(c1)[*:1])C1CC1
C[C@H](c1ccco1)N(C(=O)Nc1cccc(Oc2ccccn2)c1)C1CC1 c1coc(c1)[*:1] C[C@H](N(C(=O)Nc1cccc(c1)Oc1ccccn1)C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)Nc1cccc(Oc2ccccn2)c1)C1CC1 C1CC1[*:1] C[C@H](c1ccco1)N(C(=O)Nc1cccc(c1)Oc1ccccn1)[*:1]
C[C@H](c1ccco1)N(C(=O)Nc1cccc(Oc2ccccn2)c1)C1CC1 c1ccc(nc1)[*:1] C[C@H](c1ccco1)N(C(=O)Nc1cccc(c1)O[*:1])C1CC1
COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)cc1 Cc1nc(cs1)C[*:1] COc1ccc(cc1)CC(=O)NC[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)cc1 COc1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)N1CCC[C@@H](CNC(=O)C[*:1])C1
COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)cc1 COc1ccc(cc1)C[*:1] Cc1nc(cs1)CC(=O)N1CCC[C@@H](CNC(=O)[*:1])C1
COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)cc1 Cc1nc(cs1)[*:1] COc1ccc(cc1)CC(=O)NC[C@@H]1CCCN(C1)C(=O)C[*:1]
c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cs1 c1cc(cs1)[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCC[C@H]1[NH2+]CC[*:1]
c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cs1 c1cc(cs1)C[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCC[C@H]1[NH2+]C[*:1]
CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC[NH+]1CCCC1)S(=O)(=O)[*:1]
C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] C[C@H](NC(=O)Cc1cccc(c1)OCC#N)[*:1]
C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1nnc2n1CCC2 N#CC[*:1] C[C@H](NC(=O)Cc1cccc(c1)O[*:1])c1nnc2CCCn21
C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1nnc2n1CCC2 N#CCO[*:1] C[C@H](NC(=O)Cc1cccc(c1)[*:1])c1nnc2CCCn21
CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cccs2)CC1 c1csc(c1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)[*:1]
CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cccs2)CC1 CC(C)(C)[*:1] O=C(NCC1CCN(CC1)C(=O)O[*:1])c1cccs1
O=C(Nc1cccc(N2CCCNC2=O)c1)[C@@H]1CSc2ccccc21 O=C1NCCCN1[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CSc2ccccc21
C[C@H](CNC(=O)N[C@@H]1CCc2c(Br)cccc21)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)N[C@@H]1CCc2c(Br)cccc21)[*:1]
CC(C)(F)/C([O-])=N/S(=O)(=O)N1CCCCC1 CC(C)(F)[*:1] O=S(=O)(/N=C(\[O-])[*:1])N1CCCCC1
C[C@@H]1C(=O)N[C@@H](C2CC2)C(=O)N1c1ccc(Cl)c(Br)c1 C1CC1[*:1] C[C@@H]1C(=O)N[C@@H](C(=O)N1c1ccc(Cl)c(Br)c1)[*:1]
Nc1ccc(SCc2ccc(C(=O)[O-])o2)cc1 O=C([O-])[*:1] Nc1ccc(cc1)SCc1ccc(o1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)cc1 CCN(CC)S(=O)(=O)[*:1] O=S(=O)(N[C@@H]1CCc2ccccc21)c1ccc(cc1)[*:1]
O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1N1CCN(c2cccc[nH+]2)CC1 C1CO[C@H](C1)C[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)c1cccc[nH+]1)N[*:1]
O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1N1CCN(c2cccc[nH+]2)CC1 C1CO[C@H](C1)CN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1cccc[nH+]1
O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1N1CCN(c2cccc[nH+]2)CC1 O=[N+]([O-])[*:1] c1ccc([nH+]c1)N1CCN(CC1)c1ncnc(NC[C@H]2CCCO2)c1[*:1]
O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1N1CCN(c2cccc[nH+]2)CC1 C1CO[C@H](C1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)c1cccc[nH+]1)NC[*:1]
CC(C)[C@@H](NC(=O)NCc1nnc2n1CCC2)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)NCc1nnc2CCCn21)[*:1]
CC(C)[C@@H](NC(=O)NCc1nnc2n1CCC2)c1cccs1 CC(C)[*:1] O=C(NCc1nnc2CCCn21)N[C@@H](c1cccs1)[*:1]
COc1ccc(OC)c(N2C(=O)c3cccnc3[C@H]2Nc2cccc(F)c2)c1 Fc1cccc(c1)N[*:1] COc1ccc(OC)c(c1)N1C(=O)c2cccnc2[C@@H]1[*:1]
COc1ccc(OC)c(N2C(=O)c3cccnc3[C@H]2Nc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COc1ccc(OC)c(c1)N1C(=O)c2cccnc2[C@H]1N[*:1]
CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)Oc2ccc(F)cc2F)c1C CCOC(=O)[*:1] Cc1[nH]c(c(C)c1C(=O)[C@@H](C)Oc1ccc(F)cc1F)[*:1]
CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)Oc2ccc(F)cc2F)c1C Fc1ccc(c(F)c1)[*:1] CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)O[*:1])c1C
COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2nncs2)cc1 c1nnc(s1)[*:1] COc1ccc(cc1)-c1nc(sc1C(=O)N[*:1])-n1cccc1
COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2nncs2)cc1 O=C(Nc1nncs1)[*:1] COc1ccc(cc1)-c1nc(sc1[*:1])-n1cccc1
COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2nncs2)cc1 c1ccn(c1)[*:1] COc1ccc(cc1)-c1nc(sc1C(=O)Nc1nncs1)[*:1]
COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2nncs2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nncs1)c1sc(nc1[*:1])-n1cccc1
CCOc1cccc([C@@H]([NH3+])C(C)(C)c2ccccc2)c1 CCO[*:1] CC(C)(c1ccccc1)[C@H]([NH3+])c1cccc(c1)[*:1]
CCOc1cccc([C@@H]([NH3+])C(C)(C)c2ccccc2)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)[C@@H]([NH3+])C(C)(C)[*:1]
CN(CC(=O)Nc1ccccc1S(C)(=O)=O)C(=O)c1cccs1 CS(=O)(=O)[*:1] CN(CC(=O)Nc1ccccc1[*:1])C(=O)c1cccs1
CN(CC(=O)Nc1ccccc1S(C)(=O)=O)C(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)Nc1ccccc1S(C)(=O)=O)C(=O)[*:1]
CN(C(=O)CN1CCN(c2ncccc2F)CC1)C1(C#N)CCCCC1 Fc1cccnc1[*:1] CN(C(=O)CN1CCN(CC1)[*:1])C1(C#N)CCCCC1
CN(C(=O)CN1CCN(c2ncccc2F)CC1)C1(C#N)CCCCC1 N#CC1(CCCCC1)[*:1] CN(C(=O)CN1CCN(CC1)c1ncccc1F)[*:1]
C[C@@H]1C[C@@H](Nc2ccccc2N2CCCC2=O)CS1 O=C1CCCN1[*:1] C[C@@H]1C[C@H](CS1)Nc1ccccc1[*:1]
COc1ccc(-c2nn3c(N4CCN(CCO)CC4)cc(C)nc3c2C)cc1 OCC[*:1] COc1ccc(cc1)-c1nn2c(cc(C)nc2c1C)N1CCN(CC1)[*:1]
COc1ccc(-c2nn3c(N4CCN(CCO)CC4)cc(C)nc3c2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(N2CCN(CCO)CC2)n2nc(c(C)c2n1)[*:1]
COc1ccc(-c2nn3c(N4CCN(CCO)CC4)cc(C)nc3c2C)cc1 OCCN1CCN(CC1)[*:1] COc1ccc(cc1)-c1nn2c(cc(C)nc2c1C)[*:1]
CCN(C(=O)CSc1nncn1-c1ccccc1C)C1CCCCC1 Cc1ccccc1[*:1] CCN(C(=O)CSc1nncn1[*:1])C1CCCCC1
CCN(C(=O)CSc1nncn1-c1ccccc1C)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)CSc1nncn1-c1ccccc1C)[*:1]
Cc1ccc([S@@](=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1 CC(C)(C)[*:1] Cc1ccc(c(C)c1)[S@@](=O)[C@H]1CCCN(C1)C(=O)O[*:1]
OC1(c2cc(C(F)(F)F)ccc2F)CC1 FC(F)(F)[*:1] OC1(CC1)c1cc(ccc1F)[*:1]
OC1(c2cc(C(F)(F)F)ccc2F)CC1 OC1(CC1)[*:1] Fc1ccc(cc1[*:1])C(F)(F)F
CC(C)Cc1cc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)[nH]n1 CC(C)[*:1] CN(Cc1nc(cs1)C(F)(F)F)C(=O)c1cc(C[*:1])n[nH]1
CC(C)Cc1cc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)[nH]n1 FC(F)(F)[*:1] CC(C)Cc1cc([nH]n1)C(=O)N(C)Cc1nc(cs1)[*:1]
CC(C)Cc1cc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)[nH]n1 CC(C)C[*:1] CN(Cc1nc(cs1)C(F)(F)F)C(=O)c1cc(n[nH]1)[*:1]
CCCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] CCCc1[nH]nc(-c2ccc(OC)c(c2)OC)c1NC(=O)[*:1]
CCCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)c1cc(F)cc(F)c1 CCC[*:1] COc1ccc(cc1OC)-c1n[nH]c(c1NC(=O)c1cc(F)cc(F)c1)[*:1]
CC(=O)N[C@@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@@H]1Oc1ccc(C)c(C)c1 O=C([O-])[*:1] CC(=O)N[C@@H]1[C@H](OC[*:1])[C@H]2O[C@H](OC[C@@H]2O[C@@H]1Oc1ccc(C)c(C)c1)c1ccco1
CC(=O)N[C@@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@@H]1Oc1ccc(C)c(C)c1 CC(=O)N[*:1] Cc1ccc(cc1C)O[C@H]1O[C@H]2CO[C@@H](O[C@@H]2[C@@H](OCC(=O)[O-])[C@H]1[*:1])c1ccco1
CC(=O)N[C@@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@@H]1Oc1ccc(C)c(C)c1 O=C([O-])CO[*:1] CC(=O)N[C@@H]1[C@H]([C@H]2O[C@H](OC[C@@H]2O[C@@H]1Oc1ccc(C)c(C)c1)c1ccco1)[*:1]
CC(=O)N[C@@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@@H]1Oc1ccc(C)c(C)c1 c1coc(c1)[*:1] CC(=O)N[C@@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](OC[C@@H]2O[C@@H]1Oc1ccc(C)c(C)c1)[*:1]
CC(=O)N[C@@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@@H]1Oc1ccc(C)c(C)c1 Cc1ccc(cc1C)O[*:1] CC(=O)N[C@@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@H](OC[C@@H]2O[C@H]1[*:1])c1ccco1
CC(=O)N[C@@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@@H]1Oc1ccc(C)c(C)c1 O=C([O-])C[*:1] CC(=O)N[C@@H]1[C@H](O[*:1])[C@H]2O[C@H](OC[C@@H]2O[C@@H]1Oc1ccc(C)c(C)c1)c1ccco1
CC(=O)N[C@@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@@H]1Oc1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CC(=O)N[C@@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@H](OC[C@@H]2O[C@@H]1O[*:1])c1ccco1
C[NH2+]Cc1ccc(O[C@H](C)[C@H](C)O)cc1 C[C@H](O)[*:1] C[NH2+]Cc1ccc(cc1)O[C@H](C)[*:1]
C[NH2+]Cc1ccc(O[C@H](C)[C@H](C)O)cc1 C[C@H](O)[C@@H](C)[*:1] C[NH2+]Cc1ccc(cc1)O[*:1]
C[NH2+]Cc1ccc(O[C@H](C)[C@H](C)O)cc1 C[NH2+]C[*:1] C[C@H](O)[C@@H](C)Oc1ccc(cc1)[*:1]
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1onc(c1C(=O)N[*:1])-c1c(Cl)cccc1Cl
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)cc1 Clc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)Nc1ccc(F)cc1)[*:1]
Cc1ncccc1Oc1cc(Cl)ccc1C(N)=S NC(=S)[*:1] Cc1ncccc1Oc1cc(Cl)ccc1[*:1]
CNC(=O)[C@H](C)Sc1nc2ccccc2n1CCOC CNC(=O)[*:1] COCCn1c(nc2ccccc21)S[C@@H](C)[*:1]
CNC(=O)[C@H](C)Sc1nc2ccccc2n1CCOC CNC(=O)[C@H](C)[*:1] COCCn1c(nc2ccccc21)S[*:1]
CNC(=O)[C@H](C)Sc1nc2ccccc2n1CCOC COC[*:1] CNC(=O)[C@H](C)Sc1nc2ccccc2n1C[*:1]
CNC(=O)[C@H](C)Sc1nc2ccccc2n1CCOC COCC[*:1] CNC(=O)[C@H](C)Sc1nc2ccccc2n1[*:1]
O=C(CCCNC(=O)Nc1cnc(-c2ccccc2)s1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(NCC[*:1])Nc1cnc(s1)-c1ccccc1
O=C(CCCNC(=O)Nc1cnc(-c2ccccc2)s1)NC1CC1 c1ccc(cc1)[*:1] O=C(CCCNC(=O)Nc1cnc(s1)[*:1])NC1CC1
O=C(CCCNC(=O)Nc1cnc(-c2ccccc2)s1)NC1CC1 O=C(CC[*:1])NC1CC1 O=C(NC[*:1])Nc1cnc(s1)-c1ccccc1
O=C(CCCNC(=O)Nc1cnc(-c2ccccc2)s1)NC1CC1 C1CC1[*:1] O=C(CCCNC(=O)Nc1cnc(s1)-c1ccccc1)N[*:1]
O=C(CCCNC(=O)Nc1cnc(-c2ccccc2)s1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NCCC[*:1])Nc1cnc(s1)-c1ccccc1
COc1ccc2c(c1)OCC(C(=O)Nc1cccc(N3CCCC3=O)c1)=C2 O=C1CCCN1[*:1] COc1ccc2C=C(COc2c1)C(=O)Nc1cccc(c1)[*:1]
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 CC(C)[*:1] C[C@H](Oc1ccc(cc1)-c1ccccc1)C(=O)N[C@](C)(C#N)[*:1]
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
O=C(CSc1ccccc1)NCCSc1ccccc1 c1ccc(cc1)[*:1] O=C(CS[*:1])NCCSc1ccccc1
O=C(CSc1ccccc1)NCCSc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ccccc1)NCCS[*:1]
CO[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C(N)=O)o1 NC(=O)[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(o1)[*:1]
Cn1c(=O)n(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21 c1ccc(cc1)C[*:1] Cn1c(=O)n(CC(=O)N2CCN(CC2)[*:1])c2ccccc21
Cn1c(=O)n(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21 c1ccc(cc1)[*:1] Cn1c(=O)n(CC(=O)N2CCN(CC2)C[*:1])c2ccccc21
CN(CCCc1ccccc1)C(=O)C(=O)Nc1c(F)cc(F)cc1F c1ccc(cc1)[*:1] CN(CCC[*:1])C(=O)C(=O)Nc1c(F)cc(F)cc1F
CN(CCCc1ccccc1)C(=O)C(=O)Nc1c(F)cc(F)cc1F c1ccc(cc1)CC[*:1] CN(C[*:1])C(=O)C(=O)Nc1c(F)cc(F)cc1F
CN(CCCc1ccccc1)C(=O)C(=O)Nc1c(F)cc(F)cc1F c1ccc(cc1)C[*:1] CN(CC[*:1])C(=O)C(=O)Nc1c(F)cc(F)cc1F
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 O=[N+]([O-])[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1ccn(n1)-c1cccc(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1nnc2ccccc2c1=O c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)COC(=O)Cn1nnc2ccccc2c1=O)[*:1]
CC[C@H](C)NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O CC[C@H](C)[*:1] O=C(Cn1nc(ccc1=O)-c1ccc(Br)cc1)N[*:1]
CC[C@H](C)NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O Brc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)Cn1nc(ccc1=O)[*:1]
CC[C@H](C)NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O CC[C@H](C)NC(=O)[*:1] O=c1ccc(nn1C[*:1])-c1ccc(Br)cc1
Cc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccc(cc1)OC1CC[NH+](C)CC1
Cc1n[nH]c(SCC(=O)Nc2nnc(CC(C)C)s2)nc1=O CC(C)[*:1] Cc1n[nH]c(nc1=O)SCC(=O)Nc1nnc(C[*:1])s1
Cc1n[nH]c(SCC(=O)Nc2nnc(CC(C)C)s2)nc1=O CC(C)C[*:1] Cc1n[nH]c(nc1=O)SCC(=O)Nc1nnc(s1)[*:1]
CN(C)C(=O)c1ccc(NC(=O)COc2cccc3c2CCC3=O)cc1 CN(C)C(=O)[*:1] O=C(COc1cccc2C(=O)CCc12)Nc1ccc(cc1)[*:1]
CCc1nn(C)c2c1nc(N)n2CC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCc1nn(C)c2c1nc(N)n2CC[*:1]
CCc1nn(C)c2c1nc(N)n2CC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CCc1nn(C)c2c1nc(N)n2C[*:1]
Cc1nc(-c2cccc(CNC(=O)c3ccc[n+]([O-])c3)c2)n[nH]1 [O-][n+]1cccc(c1)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)[*:1]
Cc1nc(-c2cccc(CNC(=O)c3ccc[n+]([O-])c3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(NCc1cccc(c1)[*:1])c1ccc[n+]([O-])c1
CCC(CC)(NC(=O)N(C)[C@H]1CCC[C@H](C)C1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)N(C)[C@H]1CCC[C@H](C)C1)[*:1]
CC(C)(c1ccccc1)c1nc(C2CCOCC2)cs1 C1CC(CCO1)[*:1] CC(C)(c1ccccc1)c1nc(cs1)[*:1]
CC(C)(c1ccccc1)c1nc(C2CCOCC2)cs1 c1ccc(cc1)[*:1] CC(C)(c1nc(cs1)C1CCOCC1)[*:1]
CCC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](C2CCCCC2)CC1 CCC[*:1] c1csc(c1)Cn1nnnc1[C@@H](N1CC[NH+](CC1)C1CCCCC1)[*:1]
CCC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] CCC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](CC1)[*:1]
CCC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](C2CCCCC2)CC1 c1csc(c1)C[*:1] CCC[C@@H](c1nnnn1[*:1])N1CC[NH+](CC1)C1CCCCC1
CCC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](C2CCCCC2)CC1 c1csc(c1)[*:1] CCC[C@@H](c1nnnn1C[*:1])N1CC[NH+](CC1)C1CCCCC1
Cc1ccc(C)c(CC(=O)Nc2nnc(-c3ccn(C(C)C)n3)o2)c1 CC(C)n1ccc(n1)[*:1] Cc1ccc(C)c(c1)CC(=O)Nc1nnc(o1)[*:1]
Cc1ccc(C)c(CC(=O)Nc2nnc(-c3ccn(C(C)C)n3)o2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)n1ccc(n1)-c1nnc(NC(=O)C[*:1])o1
Cc1ccc(C)c(CC(=O)Nc2nnc(-c3ccn(C(C)C)n3)o2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)CC(=O)Nc1nnc(o1)-c1ccn(n1)[*:1]
O=C(NC[C@H]1CCCO1)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)c1cn(nc1[*:1])-c1ccccc1
O=C(NC[C@H]1CCCO1)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)c1cn(nc1-c1ccccc1)[*:1]
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 CC(=O)N[*:1] C[C@H](NC(=O)[C@H](C)[*:1])c1ccc(s1)-c1ccc(Cl)cc1
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(s1)[*:1]
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 CC(=O)N[C@@H](C)[*:1] C[C@H](NC(=O)[*:1])c1ccc(s1)-c1ccc(Cl)cc1
Cc1ccc(C(=O)Nc2cccc(N(C)C(=O)c3ccc(C)cc3)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N(C)c1cccc(c1)NC(=O)[*:1]
Cc1ccc(C(=O)Nc2cccc(N(C)C(=O)c3ccc(C)cc3)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)Nc1cccc(c1)N(C)C(=O)[*:1]
Cc1csc(NC(=O)CSc2cccc3cccc(Cl)c23)n1 Cc1csc(n1)[*:1] O=C(CSc1cccc2cccc(Cl)c12)N[*:1]
C[C@H]1Cc2ccccc2N1C(=O)NCc1cccc(OCC(F)F)c1 FC(F)[*:1] C[C@H]1Cc2ccccc2N1C(=O)NCc1cccc(c1)OC[*:1]
C[C@H]1Cc2ccccc2N1C(=O)NCc1cccc(OCC(F)F)c1 FC(F)C[*:1] C[C@H]1Cc2ccccc2N1C(=O)NCc1cccc(c1)O[*:1]
C[C@H]1Cc2ccccc2N1C(=O)NCc1cccc(OCC(F)F)c1 FC(F)CO[*:1] C[C@H]1Cc2ccccc2N1C(=O)NCc1cccc(c1)[*:1]
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 O=C(N[*:1])c1ccco1 C[C@@H](C(=O)N1CCN(CC1)C(=O)NC1CCCCC1)[*:1]
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CC1)C(=O)N[*:1]
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 c1coc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCN(CC1)C(=O)NC1CCCCC1
COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)c1ccccc1OC)CC2 COc1ccccc1[*:1] COc1cc2CCN(C(=O)[*:1])[C@@H](c2cc1OC)c1c(F)cccc1Cl
COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)c1ccccc1OC)CC2 Fc1cccc(Cl)c1[*:1] COc1cc2CCN(C(=O)c3ccccc3OC)[C@H](c2cc1OC)[*:1]
CC1(C)C(C(=O)NC[C@@H](O)c2cccc(OC(F)F)c2)C1(C)C FC(F)O[*:1] CC1(C)C(C(=O)NC[C@@H](O)c2cccc(c2)[*:1])C1(C)C
CC1(C)C(C(=O)NC[C@@H](O)c2cccc(OC(F)F)c2)C1(C)C CC1(C)C(C1(C)C)[*:1] O=C(NC[C@@H](O)c1cccc(c1)OC(F)F)[*:1]
CC1(C)C(C(=O)NC[C@@H](O)c2cccc(OC(F)F)c2)C1(C)C FC(F)[*:1] CC1(C)C(C(=O)NC[C@@H](O)c2cccc(c2)O[*:1])C1(C)C
CC(C)CC[C@H]1CCCN1C(=O)NCC(C)(C)c1ccncc1 CC(C)[*:1] CC(C)(CNC(=O)N1CCC[C@@H]1CC[*:1])c1ccncc1
CC(C)CC[C@H]1CCCN1C(=O)NCC(C)(C)c1ccncc1 CC(C)C[*:1] CC(C)(CNC(=O)N1CCC[C@@H]1C[*:1])c1ccncc1
CC(C)CC[C@H]1CCCN1C(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] CC(C)CC[C@H]1CCCN1C(=O)NCC(C)(C)[*:1]
CC(C)CC[C@H]1CCCN1C(=O)NCC(C)(C)c1ccncc1 CC(C)CC[*:1] CC(C)(CNC(=O)N1CCC[C@@H]1[*:1])c1ccncc1
CCC1(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 O=C1OCCN1[*:1] CCC1(CC1)C[NH2+][C@H](C)c1ccc(cc1)[*:1]
CCC1(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 CCC1(CC1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(cc1)N1CCOC1=O
COc1ccccc1NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 C(=C[*:1])c1ccccc1 COc1ccccc1NC(=O)Cc1csc(n1)NC(=O)[*:1]
COc1ccccc1NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 COc1ccccc1[*:1] O=C(/C=C/c1ccccc1)Nc1nc(cs1)CC(=O)N[*:1]
COc1ccccc1NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)Cc1csc(n1)NC(=O)C=C[*:1]
CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccccc2)CC1 CC(C)(C)[*:1] O=C(NCC1CCN(CC1)C(=O)O[*:1])c1ccccc1
CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)[*:1]
CNS(=O)(=O)c1ccc(C(=O)NCc2ccnn2C)o1 CNS(=O)(=O)[*:1] Cn1nccc1CNC(=O)c1ccc(o1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)NCc2ccnn2C)o1 Cn1nccc1[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)NC[*:1]
Cc1csc([C@@H]2CCCN(Cc3cnc(-c4cccs4)s3)C2)n1 c1csc(c1)[*:1] Cc1csc(n1)[C@@H]1CCCN(Cc2cnc(s2)[*:1])C1
Cc1csc([C@@H]2CCCN(Cc3cnc(-c4cccs4)s3)C2)n1 Cc1csc(n1)[*:1] c1csc(c1)-c1ncc(CN2CCC[C@H](C2)[*:1])s1
COc1ccccc1Cn1c(NCCCO)nc2ccccc2c1=O COc1ccccc1[*:1] O=c1c2ccccc2nc(NCCCO)n1C[*:1]
COc1ccccc1Cn1c(NCCCO)nc2ccccc2c1=O OCCCN[*:1] COc1ccccc1Cn1c(nc2ccccc2c1=O)[*:1]
COc1ccccc1Cn1c(NCCCO)nc2ccccc2c1=O OCC[*:1] COc1ccccc1Cn1c(nc2ccccc2c1=O)NC[*:1]
COc1ccccc1Cn1c(NCCCO)nc2ccccc2c1=O OCCC[*:1] COc1ccccc1Cn1c(nc2ccccc2c1=O)N[*:1]
CCC(CC)CNC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1 CCC(CC)C[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)N[*:1]
CCC(CC)CNC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1 CCC(CC)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NC[*:1]
COCC1CCN(C(=O)Nc2cc(F)c(OC)cc2OC)CC1 COC[*:1] COc1cc(OC)c(cc1F)NC(=O)N1CCC(CC1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1 CC(C)(C)[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1c2CSCc2nn1[*:1]
CC(C)Oc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1 CC(C)O[*:1] CC(C)(C)n1nc2CSCc2c1NC(=O)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1 CC(C)[*:1] CC(C)(C)n1nc2CSCc2c1NC(=O)c1ccc(cc1)O[*:1]
CCOC(=O)N1CCC(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 C1CC1[*:1] CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc2oc(nc2c1)[*:1]
COc1cc2nc(SCC(=O)NCc3ccco3)n3nc(C)nc3c2cc1OC c1coc(c1)[*:1] COc1cc2nc(SCC(=O)NC[*:1])n3nc(C)nc3c2cc1OC
COc1cc2nc(SCC(=O)NCc3ccco3)n3nc(C)nc3c2cc1OC c1coc(c1)C[*:1] COc1cc2nc(SCC(=O)N[*:1])n3nc(C)nc3c2cc1OC
COc1cc2nc(SCC(=O)NCc3ccco3)n3nc(C)nc3c2cc1OC O=C(NCc1ccco1)[*:1] COc1cc2nc(SC[*:1])n3nc(C)nc3c2cc1OC
COc1ccc(S(=O)(=O)N2[C@H]3CCCC[C@@H]3C[C@@H]2C(N)=O)cc1Cl NC(=O)[*:1] COc1ccc(cc1Cl)S(=O)(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1[*:1]
O/C(=N\CC[NH2+][C@@H](c1ccccn1)C1CCCC1)c1ncccc1O C1CCC(C1)[*:1] O/C(=N\CC[NH2+][C@@H](c1ccccn1)[*:1])c1ncccc1O
O/C(=N\CC[NH2+][C@@H](c1ccccn1)C1CCCC1)c1ncccc1O Oc1cccnc1[*:1] O/C(=N\CC[NH2+][C@@H](c1ccccn1)C1CCCC1)[*:1]
O/C(=N\CC[NH2+][C@@H](c1ccccn1)C1CCCC1)c1ncccc1O c1ccc(nc1)[*:1] O/C(=N\CC[NH2+][C@@H](C1CCCC1)[*:1])c1ncccc1O
COCCN(C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1)C(=O)c1ccc(F)cc1 COCC[*:1] O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](C1)CN(C(=O)c1ccc(F)cc1)[*:1]
COCCN(C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1)C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCCN(C[C@@H]1CN(CCO1)C(=O)c1ccc(Cl)c(Cl)c1)C(=O)[*:1]
COCCN(C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1)C(=O)c1ccc(F)cc1 Clc1ccc(cc1Cl)[*:1] COCCN(C[C@@H]1CN(CCO1)C(=O)[*:1])C(=O)c1ccc(F)cc1
COCCN(C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1)C(=O)c1ccc(F)cc1 COC[*:1] O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](C1)CN(C[*:1])C(=O)c1ccc(F)cc1
CS(=O)(=O)N1C[C@@H]2CN(C(=O)C3CCOCC3)C[C@]2(C(=O)[O-])C1 C1CC(CCO1)[*:1] CS(=O)(=O)N1C[C@@H]2CN(C[C@@]2(C1)C(=O)[O-])C(=O)[*:1]
CS(=O)(=O)N1C[C@@H]2CN(C(=O)C3CCOCC3)C[C@]2(C(=O)[O-])C1 O=C([O-])[*:1] CS(=O)(=O)N1C[C@@H]2CN(C[C@@]2(C1)[*:1])C(=O)C1CCOCC1
Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 Clc1ccc(cc1Cl)[*:1] Cn1cc(C(=O)N[*:1])c(n1)-c1ccc(cc1)[N+](=O)[O-]
Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(n1)-c1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(CCN2CCOCC2)cc1 Cc1ccccc1[*:1] C[C@@H](Nc1ccc(cc1)CCN1CCOCC1)C(=O)N[*:1]
Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(cc1)CC[*:1]
Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(cc1)C[*:1]
Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)CC[*:1] Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(cc1)[*:1]
O=C(CCc1ccccc1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 c1ccc(cc1)CC[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[*:1]
O=C(CCc1ccccc1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 c1ccc(cc1)C[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C[*:1]
O=C(CCc1ccccc1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 c1ccc(cc1)[*:1] O=C(CC[*:1])NNC(=O)CC12CC3CC(CC(C3)C1)C2
COc1ccccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1C(=O)N(C)Cc1ccccc1[*:1]
C[C@@H]1CN(C(=O)Cn2cc(NCc3cccs3)cn2)C[C@@H](C)O1 c1csc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Cn1cc(cn1)NC[*:1]
C[C@@H]1CN(C(=O)Cn2cc(NCc3cccs3)cn2)C[C@@H](C)O1 c1csc(c1)CN[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Cn1cc(cn1)[*:1]
C[C@@H]1CN(C(=O)Cn2cc(NCc3cccs3)cn2)C[C@@H](C)O1 c1csc(c1)C[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Cn1cc(cn1)N[*:1]
CC(C)[C@@H](CO)NC(=O)Cc1ccc(Cl)cc1 CC(C)[*:1] O=C(Cc1ccc(Cl)cc1)N[C@H](CO)[*:1]
CCCN(C)[C@H](C(N)=O)c1ccc(F)cc1 NC(=O)[*:1] CCCN(C)[C@H](c1ccc(F)cc1)[*:1]
CCCN(C)[C@H](C(N)=O)c1ccc(F)cc1 CCCN(C)[*:1] NC(=O)[C@H](c1ccc(F)cc1)[*:1]
CCCN(C)[C@H](C(N)=O)c1ccc(F)cc1 CCC[*:1] CN([C@H](C(N)=O)c1ccc(F)cc1)[*:1]
CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c1C Cc1cc(no1)NC(=O)[*:1] CCc1nc2ccccc2c(C(=O)O[C@@H](C)[*:1])c1C
CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c1C Cc1cc(no1)[*:1] CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)N[*:1])c1C
CC(C)OC(=O)c1cccc(-c2nnn(Cc3ccccc3)n2)c1 c1ccc(cc1)C[*:1] CC(C)OC(=O)c1cccc(c1)-c1nnn(n1)[*:1]
CC(C)OC(=O)c1cccc(-c2nnn(Cc3ccccc3)n2)c1 CC(C)[*:1] O=C(O[*:1])c1cccc(c1)-c1nnn(Cc2ccccc2)n1
CC(C)OC(=O)c1cccc(-c2nnn(Cc3ccccc3)n2)c1 CC(C)OC(=O)[*:1] c1ccc(cc1)Cn1nnc(n1)-c1cccc(c1)[*:1]
CC(C)OC(=O)c1cccc(-c2nnn(Cc3ccccc3)n2)c1 c1ccc(cc1)[*:1] CC(C)OC(=O)c1cccc(c1)-c1nnn(C[*:1])n1
CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C Clc1cccc(c1)[*:1] CC(C)N(C[*:1])C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C CC(C)[*:1] CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(Cc1cccc(Cl)c1)[*:1]
CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C Clc1cccc(c1)C[*:1] CC(C)N(C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)[*:1]
CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCCN1C(=O)O[*:1]
C[C@H](Cc1ccccc1F)NC(=O)c1ccc2c(c1)NC(=O)CS2 Fc1ccccc1[*:1] C[C@H](C[*:1])NC(=O)c1ccc2SCC(=O)Nc2c1
C[C@H](Cc1ccccc1F)NC(=O)c1ccc2c(c1)NC(=O)CS2 Fc1ccccc1C[*:1] C[C@H](NC(=O)c1ccc2SCC(=O)Nc2c1)[*:1]
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)CC[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)C[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)CC[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(NCc1nnnn1-c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCc1nnnn1-c1ccc(F)cc1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCc1nnnn1-c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 Fc1ccc(cc1)[*:1] O=C(NCc1nnnn1[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
CCCn1ccnc1CC(=O)c1ccco1 CCC[*:1] O=C(Cc1nccn1[*:1])c1ccco1
CCCn1ccnc1CC(=O)c1ccco1 c1coc(c1)[*:1] CCCn1ccnc1CC(=O)[*:1]
O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)SCc1nnc(o1)[*:1])c1ccccc1
O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1ccccc1 O=C(N[*:1])c1ccccc1 c1ccc(cc1)-c1nnc(CSc2ccc(cc2)[*:1])o1
O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)SCc1nnc(o1)-c1ccccc1)[*:1]
CCn1c([C@H]2CCCN(C(=O)c3cnc4ccc(C)cn34)C2)n[nH]c1=S CCn1c(n[nH]c1=S)[*:1] Cc1ccc2ncc(C(=O)N3CCC[C@@H](C3)[*:1])n2c1
CCC(=O)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC(=O)Nc1cc(cc(c1)[*:1])SC[C@H](O)CO
CCC(=O)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1 CCC(=O)N[*:1] O=[N+]([O-])c1cc(cc(c1)[*:1])SC[C@H](O)CO
CCC(=O)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1 OC[C@@H](O)CS[*:1] CCC(=O)Nc1cc(cc(c1)[*:1])[N+](=O)[O-]
CCC(=O)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1 OC[C@@H](O)[*:1] CCC(=O)Nc1cc(cc(c1)[N+](=O)[O-])SC[*:1]
CCC(=O)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1 OC[C@@H](O)C[*:1] CCC(=O)Nc1cc(cc(c1)[N+](=O)[O-])S[*:1]
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N=c1[nH]c2ccccc2[nH]1 O=[N+]([O-])[*:1] O=C(CNC(=O)c1cccc(c1)[*:1])N=c1[nH]c2ccccc2[nH]1
Cc1nc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)o2)cs1 c1csc(c1)[*:1] Cc1nc(cs1)-c1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)[*:1])o1
Cc1nc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)o2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1nnc(o1)[*:1])[C@H]1CCCN1S(=O)(=O)c1cccs1
COC(=O)C1(NS(=O)(=O)N2CCC[C@H](C)C2)CCCC1 COC(=O)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)NC1(CCCC1)[*:1]
C[C@H](N1CCN(C(=O)CCSc2ccccn2)CC1)C(F)(F)F c1ccc(nc1)S[*:1] C[C@H](N1CCN(CC1)C(=O)CC[*:1])C(F)(F)F
C[C@H](N1CCN(C(=O)CCSc2ccccn2)CC1)C(F)(F)F FC(F)(F)[*:1] C[C@H](N1CCN(CC1)C(=O)CCSc1ccccn1)[*:1]
C[C@H](N1CCN(C(=O)CCSc2ccccn2)CC1)C(F)(F)F c1ccc(nc1)[*:1] C[C@H](N1CCN(CC1)C(=O)CCS[*:1])C(F)(F)F
N#Cc1ccc(CN2CCN(C(=O)/C=C/c3csc4ccccc34)CC2)cc1 N#Cc1ccc(cc1)C[*:1] O=C(/C=C/c1csc2ccccc12)N1CCN(CC1)[*:1]
N#Cc1ccc(CN2CCN(C(=O)/C=C/c3csc4ccccc34)CC2)cc1 c1ccc2c(csc2c1)[*:1] N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)C=C[*:1]
N#Cc1ccc(CN2CCN(C(=O)/C=C/c3csc4ccccc34)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(/C=C/c1csc2ccccc12)N1CCN(CC1)C[*:1]
Cc1cc([C@@H](C)NS(=O)(=O)CCO)c(C)o1 OCC[*:1] Cc1cc(c(C)o1)[C@@H](C)NS(=O)(=O)[*:1]
CCOCCN(C)C(=O)NCc1ccc(O)c(Br)c1 CCOC[*:1] CN(C[*:1])C(=O)NCc1ccc(O)c(Br)c1
CCOCCN(C)C(=O)NCc1ccc(O)c(Br)c1 CCOCC[*:1] CN(C(=O)NCc1ccc(O)c(Br)c1)[*:1]
CCOCCN(C)C(=O)NCc1ccc(O)c(Br)c1 CCO[*:1] CN(CC[*:1])C(=O)NCc1ccc(O)c(Br)c1
Cc1ccccc1Cn1cc(C(=O)N2CCCC[C@@H]2CCn2cccn2)nn1 c1cnn(c1)CC[*:1] Cc1ccccc1Cn1cc(nn1)C(=O)N1CCCC[C@H]1[*:1]
Cc1ccccc1Cn1cc(C(=O)N2CCCC[C@@H]2CCn2cccn2)nn1 c1cnn(c1)[*:1] Cc1ccccc1Cn1cc(nn1)C(=O)N1CCCC[C@@H]1CC[*:1]
Cc1ccccc1Cn1cc(C(=O)N2CCCC[C@@H]2CCn2cccn2)nn1 Cc1ccccc1C[*:1] O=C(c1cn(nn1)[*:1])N1CCCC[C@@H]1CCn1cccn1
Cc1ccccc1Cn1cc(C(=O)N2CCCC[C@@H]2CCn2cccn2)nn1 c1cnn(c1)C[*:1] Cc1ccccc1Cn1cc(nn1)C(=O)N1CCCC[C@@H]1C[*:1]
Cc1ccccc1Cn1cc(C(=O)N2CCCC[C@@H]2CCn2cccn2)nn1 Cc1ccccc1[*:1] O=C(c1cn(C[*:1])nn1)N1CCCC[C@@H]1CCn1cccn1
CC[C@@H](C(=O)Nc1ccc(OCC2CC2)cc1)N1CCCC1=O O=C1CCCN1[*:1] CC[C@@H](C(=O)Nc1ccc(cc1)OCC1CC1)[*:1]
CC[C@@H](C(=O)Nc1ccc(OCC2CC2)cc1)N1CCCC1=O C1CC1C[*:1] CC[C@@H](C(=O)Nc1ccc(cc1)O[*:1])N1CCCC1=O
CC[C@@H](C(=O)Nc1ccc(OCC2CC2)cc1)N1CCCC1=O C1CC1[*:1] CC[C@@H](C(=O)Nc1ccc(cc1)OC[*:1])N1CCCC1=O
CC[C@@H](C(=O)Nc1ccc(OCC2CC2)cc1)N1CCCC1=O C1CC1CO[*:1] CC[C@@H](C(=O)Nc1ccc(cc1)[*:1])N1CCCC1=O
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1scnc1C COC(=O)[*:1] CC1=C([C@@H](NC(=O)N1Cc1ccccc1)c1scnc1C)[*:1]
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1scnc1C c1ccc(cc1)C[*:1] COC(=O)C1=C(C)N(C(=O)N[C@H]1c1scnc1C)[*:1]
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1scnc1C c1ccc(cc1)[*:1] COC(=O)C1=C(C)N(C[*:1])C(=O)N[C@H]1c1scnc1C
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1scnc1C Cc1ncsc1[*:1] COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1[*:1]
Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccccc3)[NH+](C)C)o2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNc1oc(nc1C#N)[*:1])c1ccccc1
Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccccc3)[NH+](C)C)o2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(C#N)c(NC[C@H]([NH+](C)C)[*:1])o1
O=C([O-])CC1(CSC[C@H]2C[C@H]3CC[C@@H]2C3)CC1 O=C([O-])C[*:1] C1C[C@@H]2C[C@H]1C[C@@H]2CSCC1(CC1)[*:1]
O=C([O-])CC1(CSC[C@H]2C[C@H]3CC[C@@H]2C3)CC1 O=C([O-])[*:1] C1C[C@@H]2C[C@H]1C[C@@H]2CSCC1(CC1)C[*:1]
FC(F)(F)c1ccc2c(n1)CCN(Cc1ccccc1)C2 FC(F)(F)[*:1] c1ccc(cc1)CN1CCc2nc(ccc2C1)[*:1]
FC(F)(F)c1ccc2c(n1)CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] FC(F)(F)c1ccc2CN(CCc2n1)C[*:1]
FC(F)(F)c1ccc2c(n1)CCN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] FC(F)(F)c1ccc2CN(CCc2n1)[*:1]
C=CC[n+]1c(N)sc2c(C)cc(C)cc21 C=CC[*:1] Cc1cc(C)c2sc(N)[n+](c2c1)[*:1]
c1ccc(-c2nnc(CSc3ncnc4sc(-c5ccccc5)cc34)o2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nnc(CSc2ncnc3sc(cc23)[*:1])o1
c1ccc(-c2nnc(CSc3ncnc4sc(-c5ccccc5)cc34)o2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1cc2c(ncnc2s1)SCc1nnc(o1)[*:1]
C[S@](=O)c1ccc(C[NH+]2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1 c1ccc(cc1)[*:1] C[S@](=O)c1ccc(cc1)C[NH+]1CCN(CC1)Cc1cnn(c1)[*:1]
CN(CCOc1ccccc1F)C(=O)Cc1cccc2ccccc12 Fc1ccccc1O[*:1] CN(CC[*:1])C(=O)Cc1cccc2ccccc12
CN(CCOc1ccccc1F)C(=O)Cc1cccc2ccccc12 Fc1ccccc1[*:1] CN(CCO[*:1])C(=O)Cc1cccc2ccccc12
COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCCCCC3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)N1CCCCCC1
COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCCCCC3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)S(=O)(=O)N1CCCCCC1
Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)C1=C([O-])C(=O)N(Cc2ccc(Cl)cc2)[C@H]1[*:1]
Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(Cl)cc1
Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(Cl)cc1)[*:1]
Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] O=C1C([O-])=C([C@@H](c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1)[*:1]
O=C(c1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 Fc1ccc2nc(sc2c1)[*:1] O=C(c1ccc(cc1)C(F)(F)F)N(Cc1cccnc1)[*:1]
O=C(c1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 FC(F)(F)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1cccnc1)c1nc2ccc(F)cc2s1
O=C(c1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 c1cncc(c1)[*:1] O=C(c1ccc(cc1)C(F)(F)F)N(C[*:1])c1nc2ccc(F)cc2s1
O=C(c1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 FC(F)(F)c1ccc(cc1)[*:1] O=C(N(Cc1cccnc1)c1nc2ccc(F)cc2s1)[*:1]
O=C(c1ccc(C(F)(F)F)cc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 c1cncc(c1)C[*:1] O=C(c1ccc(cc1)C(F)(F)F)N(c1nc2ccc(F)cc2s1)[*:1]
C[NH+]1CCN(CCCNC(=O)/C=C/c2ccc(-c3ccccc3F)s2)CC1 Fc1ccccc1[*:1] C[NH+]1CCN(CCCNC(=O)/C=C/c2ccc(s2)[*:1])CC1
CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(CC)CCO2 CCO[*:1] CCN1CCOc2ccc(cc2C1=O)NS(=O)(=O)c1cc(C)ccc1[*:1]
CNC(=O)Cc1csc(Nc2nc(C)cc(C)n2)n1 CNC(=O)[*:1] Cc1cc(C)nc(n1)Nc1nc(cs1)C[*:1]
CNC(=O)Cc1csc(Nc2nc(C)cc(C)n2)n1 CNC(=O)C[*:1] Cc1cc(C)nc(n1)Nc1nc(cs1)[*:1]
CCOC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 CCOC(=O)C[*:1] O=c1[nH]c(=O)n(C[*:1])c2ccccc12
CCOC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 CCOC(=O)[*:1] O=c1[nH]c(=O)n(CC[*:1])c2ccccc12
CCCc1ccc(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)cc1 Cc1cc(no1)[*:1] CCCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
CCCc1ccc(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)cc1 CCC[*:1] Cc1cc(no1)NC(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
Cc1cc(N2CCCC[C@H]2C(=O)[O-])ncc1[N+](=O)[O-] O=C([O-])[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCCC[C@@H]1[*:1]
Cc1cc(N2CCCC[C@H]2C(=O)[O-])ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CCCC[C@H]1C(=O)[O-]
CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](OC(=O)[C@@]1(C)CC1(Cl)Cl)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc2)c1 CC(=O)c1cccc(c1)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)O[C@H](C(=O)N[*:1])c1ccccc1
CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc2)c1 CC(=O)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)O[C@H](C(=O)Nc1cccc(c1)[*:1])c1ccccc1
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1)[*:1]
CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 CCC[C@@H](C)[*:1] CC[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 CCC[*:1] CC[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)[C@H](C)[*:1]
Cc1ccsc1C(=O)OCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccsc1C(=O)OCc1ncc(o1)[*:1]
Cc1ccsc1C(=O)OCc1ncc(-c2ccccc2)o1 Cc1ccsc1[*:1] O=C(OCc1ncc(o1)-c1ccccc1)[*:1]
N#CC1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CCC1 N#CC1(CCC1)[*:1] O=C(NCc1nc2ccc(F)cc2[nH]1)[*:1]
COC(=O)c1ccc(C[NH+](C)CC(C)(C)O)cc1F COC(=O)[*:1] C[NH+](Cc1ccc(c(F)c1)[*:1])CC(C)(C)O
COC(=O)c1ccc(C[NH+](C)CC(C)(C)O)cc1F CC(C)(O)C[*:1] COC(=O)c1ccc(cc1F)C[NH+](C)[*:1]
COC(=O)c1ccc(C[NH+](C)CC(C)(C)O)cc1F CC(C)(O)[*:1] COC(=O)c1ccc(cc1F)C[NH+](C)C[*:1]
COc1ccc(C(=O)CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)cc1 COc1ccc(cc1)C(=O)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccco1)SC[*:1]
COc1ccc(C(=O)CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C(=O)CSc1nc(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
COc1ccc(C(=O)CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1ccco1)SCC(=O)[*:1]
O=C(Nc1ccccc1SC(F)F)C(=O)NC1CCCCC1 FC(F)S[*:1] O=C(Nc1ccccc1[*:1])C(=O)NC1CCCCC1
O=C(Nc1ccccc1SC(F)F)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccccc1SC(F)F)C(=O)N[*:1]
O=C(Nc1ccccc1SC(F)F)C(=O)NC1CCCCC1 FC(F)[*:1] O=C(Nc1ccccc1S[*:1])C(=O)NC1CCCCC1
CCC[NH+]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 CCC[*:1] O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[NH+](CC1)[*:1]
CCC[NH+]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCC[NH+]1CCCN(CC1)C(=O)NCCc1ccccc1[*:1]
Cn1c(=O)c2c(nc(CN3CC[NH+](C)CC3)n2Cc2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(CN3CC[NH+](C)CC3)n2C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(CN3CC[NH+](C)CC3)n2Cc2ccccc2)n(C)c1=O c1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(CN3CC[NH+](C)CC3)n2[*:1])n(C)c1=O
C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccnc1 c1cncc(c1)[*:1] C[C@H]([NH2+]CCC(=O)Nc1ccccc1)[*:1]
C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]CCC(=O)N[*:1])c1cccnc1
C[C@@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1)c1ccc2c(c1)CCCC2 N#CCc1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1ccc2CCCCc2c1
C[C@@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1)c1ccc2c(c1)CCCC2 N#CC[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccc2CCCCc2c1
CN1C(=O)C(=C(N)NC(=O)c2ccccc2)C(=O)N(C)C1=O c1ccc(cc1)[*:1] CN1C(=O)C(C(=O)N(C)C1=O)=C(N)NC(=O)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 C1C[C@H](CO1)[*:1] CCN(C[*:1])C(=O)NCc1ccc([nH+]c1)N1CCOCC1
CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 C1CN(CCO1)[*:1] CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc([nH+]c1)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 C1C[C@H](CO1)C[*:1] CCN(C(=O)NCc1ccc([nH+]c1)N1CCOCC1)[*:1]
CC/[NH+]=C(/NC[C@@H](c1ccccc1)C(C)C)N1CC[C@@H](O)C1 CC(C)[*:1] CC/[NH+]=C(/NC[C@@H](c1ccccc1)[*:1])N1CC[C@@H](O)C1
CC/[NH+]=C(/NC[C@@H](c1ccccc1)C(C)C)N1CC[C@@H](O)C1 c1ccc(cc1)[*:1] CC/[NH+]=C(/NC[C@@H](C(C)C)[*:1])N1CC[C@@H](O)C1
CC(C)c1cc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)on1 CC(C)c1cc(on1)[*:1] O=C(NC[*:1])c1ccc(NC2CC2)c(c1)[N+](=O)[O-]
CC(C)c1cc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)on1 CC(C)[*:1] O=C(NCc1cc(no1)[*:1])c1ccc(NC2CC2)c(c1)[N+](=O)[O-]
CC(C)c1cc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)on1 C1CC1N[*:1] CC(C)c1cc(CNC(=O)c2ccc(c(c2)[N+](=O)[O-])[*:1])on1
CC(C)c1cc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)on1 O=[N+]([O-])[*:1] CC(C)c1cc(CNC(=O)c2ccc(NC3CC3)c(c2)[*:1])on1
CC(C)c1cc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)on1 C1CC1[*:1] CC(C)c1cc(CNC(=O)c2ccc(N[*:1])c(c2)[N+](=O)[O-])on1
O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)[C@@H]1CCCN(c2cnccn2)C1 c1cnc(cn1)[*:1] O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)[C@@H]1CCCN(C1)[*:1]
O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)[C@@H]1CCCN(c2cnccn2)C1 c1csc(c1)[*:1] O=C(NC[C@@H](c1c[nH]c2ccccc12)[*:1])[C@@H]1CCCN(C1)c1cnccn1
O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)[C@@H]1CCCN(c2cnccn2)C1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NC[C@@H](c1cccs1)[*:1])[C@@H]1CCCN(C1)c1cnccn1
CC(=O)c1cnc2c(-c3cccc(Cl)c3)cnn2c1C CC(=O)[*:1] Cc1c(cnc2c(cnn12)-c1cccc(Cl)c1)[*:1]
Cn1cc(NC(=O)CCc2cccc(Cl)c2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(NC(=O)CCc2cccc(Cl)c2)c(n1)[*:1]
Cn1cc(NC(=O)CCc2cccc(Cl)c2)c(-c2ccccc2)n1 Clc1cccc(c1)[*:1] Cn1cc(NC(=O)CC[*:1])c(n1)-c1ccccc1
Cn1cc(NC(=O)CCc2cccc(Cl)c2)c(-c2ccccc2)n1 Clc1cccc(c1)C[*:1] Cn1cc(NC(=O)C[*:1])c(n1)-c1ccccc1
CCN(C(=O)COC(=O)c1cccs1)c1cccc2ccccc12 O=C(O[*:1])c1cccs1 CCN(C(=O)C[*:1])c1cccc2ccccc12
CCN(C(=O)COC(=O)c1cccs1)c1cccc2ccccc12 c1csc(c1)[*:1] CCN(C(=O)COC(=O)[*:1])c1cccc2ccccc12
O=c1[nH]c(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)nc2ccsc12 c1csc(c1)[*:1] O=c1[nH]c(CSc2nnc(n2C[C@H]2CCCO2)[*:1])nc2ccsc12
O=c1[nH]c(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)nc2ccsc12 C1CO[C@H](C1)C[*:1] O=c1[nH]c(CSc2nnc(-c3cccs3)n2[*:1])nc2ccsc12
COc1cc(C=NNc2nnn[n-]2)cc(Br)c1OC(C)C CC(C)[*:1] COc1cc(C=NNc2nnn[n-]2)cc(Br)c1O[*:1]
COc1cc(C=NNc2nnn[n-]2)cc(Br)c1OC(C)C CC(C)O[*:1] COc1cc(C=NNc2nnn[n-]2)cc(Br)c1[*:1]
CC[C@H]1CC[C@H](N2CCO[C@H](c3ccco3)C2)C1 c1coc(c1)[*:1] CC[C@H]1CC[C@@H](C1)N1CCO[C@H](C1)[*:1]
FC(F)Oc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCC4 FC(F)O[*:1] c1ccc(c(c1)-c1nc2c3c4CCCc4sc3ncn2n1)[*:1]
FC(F)Oc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCC4 FC(F)[*:1] c1ccc(-c2nc3c4c5CCCc5sc4ncn3n2)c(c1)O[*:1]
CCCCCC[C@]1(C)NC(=O)N(Cc2csc(C)n2)C1=O Cc1nc(cs1)[*:1] CCCCCC[C@]1(C)NC(=O)N(C[*:1])C1=O
CCCCCC[C@]1(C)NC(=O)N(Cc2csc(C)n2)C1=O CCC[*:1] Cc1nc(cs1)CN1C(=O)N[C@@](C)(CCC[*:1])C1=O
CCCCCC[C@]1(C)NC(=O)N(Cc2csc(C)n2)C1=O CCCCC[*:1] Cc1nc(cs1)CN1C(=O)N[C@@](C)(C[*:1])C1=O
CCCCCC[C@]1(C)NC(=O)N(Cc2csc(C)n2)C1=O Cc1nc(cs1)C[*:1] CCCCCC[C@]1(C)NC(=O)N(C1=O)[*:1]
CCCCCC[C@]1(C)NC(=O)N(Cc2csc(C)n2)C1=O CCCCCC[*:1] Cc1nc(cs1)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CCCCCC[C@]1(C)NC(=O)N(Cc2csc(C)n2)C1=O CCCC[*:1] Cc1nc(cs1)CN1C(=O)N[C@@](C)(CC[*:1])C1=O
CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3cccc[nH+]3)CC2)cc1 CC(C)[*:1] O=C([O-])c1ccc(c(c1)NS(=O)(=O)c1ccc(cc1)[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3cccc[nH+]3)CC2)cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCN(CC1)c1cccc[nH+]1)[*:1]
CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3cccc[nH+]3)CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C([O-])c1ccc(c(c1)NS(=O)(=O)[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccnc1Cl O=[N+]([O-])[*:1] O=C(COc1ccc(Cl)cc1[*:1])Nc1cccnc1Cl
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N[*:1]
Cn1cc(S(=O)(=O)NCc2ccnc(OCC(F)F)c2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(NCc1ccnc(c1)OCC(F)F)[*:1]
Cn1cc(S(=O)(=O)NCc2ccnc(OCC(F)F)c2)cn1 FC(F)[*:1] Cn1cc(cn1)S(=O)(=O)NCc1ccnc(c1)OC[*:1]
Cn1cc(S(=O)(=O)NCc2ccnc(OCC(F)F)c2)cn1 FC(F)CO[*:1] Cn1cc(cn1)S(=O)(=O)NCc1ccnc(c1)[*:1]
Cn1cc(S(=O)(=O)NCc2ccnc(OCC(F)F)c2)cn1 FC(F)C[*:1] Cn1cc(cn1)S(=O)(=O)NCc1ccnc(c1)O[*:1]
COc1ccc(NS(=O)(=O)c2cccc(NC(=O)Cc3cccs3)c2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)NS(=O)(=O)c1cccc(c1)NC(=O)C[*:1]
COc1ccc(NS(=O)(=O)c2cccc(NC(=O)Cc3cccs3)c2)cc1 O=C(Cc1cccs1)N[*:1] COc1ccc(cc1)NS(=O)(=O)c1cccc(c1)[*:1]
COc1ccc(NS(=O)(=O)c2cccc(NC(=O)Cc3cccs3)c2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1cccs1)Nc1cccc(c1)S(=O)(=O)N[*:1]
COc1ccc(NS(=O)(=O)c2cccc(NC(=O)Cc3cccs3)c2)cc1 c1csc(c1)C[*:1] COc1ccc(cc1)NS(=O)(=O)c1cccc(c1)NC(=O)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2cc(Br)c([O-])c(Br)c2)cc1 Cc1ccc(cc1)[*:1] O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)[*:1]
Cc1cc(Br)c(O)c(C(=O)Nc2cnn(C(C)C)c2)c1 CC(C)[*:1] Cc1cc(Br)c(O)c(c1)C(=O)Nc1cnn(c1)[*:1]
Cc1ccc([C@H](C)NC(=O)C2CCN(C(=O)c3cnoc3C)CC2)cc1F Cc1ccc(cc1F)[*:1] Cc1oncc1C(=O)N1CCC(CC1)C(=O)N[C@@H](C)[*:1]
Cc1ccc([C@H](C)NC(=O)C2CCN(C(=O)c3cnoc3C)CC2)cc1F Cc1oncc1[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cnn1C FC(F)(F)[*:1] Cc1c(cnn1C)CNC(=O)c1nn2c(N[C@H](C[C@H]2[*:1])c2ccccc2)c1Cl
Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cnn1C Cc1c(cnn1C)C[*:1] O=C(N[*:1])c1nn2c(N[C@H](C[C@@H]2C(F)(F)F)c2ccccc2)c1Cl
Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)CNC(=O)c1nn2c(N[C@@H](C[C@@H]2C(F)(F)F)[*:1])c1Cl
Cc1c(CNC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cnn1C Cc1c(cnn1C)[*:1] O=C(NC[*:1])c1nn2c(N[C@H](C[C@@H]2C(F)(F)F)c2ccccc2)c1Cl
COC(=O)c1sc2nc(C)nc(NC[C@H](O)c3cnn(C)c3)c2c1C Cn1cc(cn1)[*:1] COC(=O)c1sc2nc(C)nc(NC[C@H](O)[*:1])c2c1C
COC(=O)c1sc2nc(C)nc(NC[C@H](O)c3cnn(C)c3)c2c1C COC(=O)[*:1] Cc1nc(NC[C@H](O)c2cnn(C)c2)c2c(C)c(sc2n1)[*:1]
COc1ccccc1-c1cc(CN(C(=O)c2cccc(F)c2)C(C)C)no1 COc1ccccc1[*:1] CC(C)N(Cc1cc(on1)[*:1])C(=O)c1cccc(F)c1
COc1ccccc1-c1cc(CN(C(=O)c2cccc(F)c2)C(C)C)no1 Fc1cccc(c1)[*:1] COc1ccccc1-c1cc(CN(C(=O)[*:1])C(C)C)no1
COc1ccccc1-c1cc(CN(C(=O)c2cccc(F)c2)C(C)C)no1 CC(C)[*:1] COc1ccccc1-c1cc(CN(C(=O)c2cccc(F)c2)[*:1])no1
Cc1ccc(-n2nc(CC#N)c(C#N)c2N)cc1Cl N#CC[*:1] Cc1ccc(cc1Cl)-n1nc(c(C#N)c1N)[*:1]
Nc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Nc1ncc(c(n1)-c1ccccc1)-c1nnnn1[*:1]
Nc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Nc1ncc(c(n1)[*:1])-c1nnnn1-c1ccccc1
COCC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 COC[*:1] O=C([O-])[C@@H]1C=C[C@@H](C1)NC(=O)[*:1]
COCC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] COCC(=O)N[C@H]1C=C[C@@H](C1)[*:1]
O=C([C@H]1CCCN(c2ccc(-c3ccco3)nn2)C1)N1CCc2ccccc21 c1coc(c1)[*:1] O=C([C@H]1CCCN(C1)c1ccc(nn1)[*:1])N1CCc2ccccc21
CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)[*:1]
CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cnn(C)c1 CNC(=O)[*:1] Cn1cc(cn1)S(=O)(=O)[N-]c1cc(Cl)ccc1[*:1]
CS(=O)(=O)Cc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1 c1csc(c1)[*:1] CS(=O)(=O)Cc1ccccc1NC(=O)CCc1nc(no1)[*:1]
CS(=O)(=O)Cc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1 CS(=O)(=O)[*:1] O=C(CCc1nc(no1)-c1cccs1)Nc1ccccc1C[*:1]
CS(=O)(=O)Cc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1 CS(=O)(=O)C[*:1] O=C(CCc1nc(no1)-c1cccs1)Nc1ccccc1[*:1]
O=[N+]([O-])c1ccccc1SNCc1ccco1 O=[N+]([O-])[*:1] c1coc(c1)CNSc1ccccc1[*:1]
O=[N+]([O-])c1ccccc1SNCc1ccco1 c1coc(c1)[*:1] O=[N+]([O-])c1ccccc1SNC[*:1]
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)c(Cl)c3)o2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(cc1Cl)NC(=O)CSc1nnc(o1)[*:1]
O=C(Cc1ccon1)N1CCN(c2ncnc3ccsc23)CC1 c1cc(C[*:1])no1 O=C(N1CCN(CC1)c1ncnc2ccsc12)[*:1]
O=C(Cc1ccon1)N1CCN(c2ncnc3ccsc23)CC1 c1cc(no1)[*:1] O=C(C[*:1])N1CCN(CC1)c1ncnc2ccsc12
CCNC(=O)CS(=O)(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] CCNC(=O)CS(=O)(=O)c1ccc(cc1)[*:1]
CCNC(=O)CS(=O)(=O)c1ccc(C(C)C)cc1 CCNC(=O)C[*:1] CC(C)c1ccc(cc1)S(=O)(=O)[*:1]
CCNC(=O)CS(=O)(=O)c1ccc(C(C)C)cc1 CCNC(=O)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)C[*:1]
CC(=O)c1cc(Cl)cc(C[NH+](Cc2cccnc2)C(C)C)c1[O-] c1cncc(c1)[*:1] CC(=O)c1cc(Cl)cc(C[NH+](C[*:1])C(C)C)c1[O-]
CC(=O)c1cc(Cl)cc(C[NH+](Cc2cccnc2)C(C)C)c1[O-] c1cncc(c1)C[*:1] CC(=O)c1cc(Cl)cc(C[NH+](C(C)C)[*:1])c1[O-]
CC(=O)c1cc(Cl)cc(C[NH+](Cc2cccnc2)C(C)C)c1[O-] CC(=O)[*:1] CC(C)[NH+](Cc1cccnc1)Cc1cc(Cl)cc(c1[O-])[*:1]
CC(=O)c1cc(Cl)cc(C[NH+](Cc2cccnc2)C(C)C)c1[O-] CC(C)[*:1] CC(=O)c1cc(Cl)cc(C[NH+](Cc2cccnc2)[*:1])c1[O-]
O=C(COc1ncnc2scc(-c3ccccc3)c12)N1CCc2ccccc21 c1ccc(cc1)[*:1] O=C(COc1ncnc2scc(c12)[*:1])N1CCc2ccccc21
CC(C)CCCNC(=O)NNC(=O)c1cc(Br)c[nH]1 CC(C)CCC[*:1] O=C(NNC(=O)c1cc(Br)c[nH]1)N[*:1]
CC(C)CCCNC(=O)NNC(=O)c1cc(Br)c[nH]1 Brc1c[nH]c(c1)[*:1] CC(C)CCCNC(=O)NNC(=O)[*:1]
CC(C)CCCNC(=O)NNC(=O)c1cc(Br)c[nH]1 CC(C)[*:1] O=C(NCCC[*:1])NNC(=O)c1cc(Br)c[nH]1
CC(C)CCCNC(=O)NNC(=O)c1cc(Br)c[nH]1 CC(C)C[*:1] O=C(NCC[*:1])NNC(=O)c1cc(Br)c[nH]1
CC(C)CCCNC(=O)NNC(=O)c1cc(Br)c[nH]1 CC(C)CC[*:1] O=C(NC[*:1])NNC(=O)c1cc(Br)c[nH]1
CC(=O)N[C@@H]1CCCN(C(=O)c2cc(C)cc(F)c2)C1 CC(=O)N[*:1] Cc1cc(F)cc(c1)C(=O)N1CCC[C@H](C1)[*:1]
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C CCC[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3cc(ccc3O[*:1])C(F)(F)F)c12)-c1ccco1
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C c1coc(c1)[*:1] CCCOc1ccc(cc1NC(=O)c1cc(nc2c1c(C)nn2C)[*:1])C(F)(F)F
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C CCCO[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3cc(ccc3[*:1])C(F)(F)F)c12)-c1ccco1
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C FC(F)(F)[*:1] CCCOc1ccc(cc1NC(=O)c1cc(nc2c1c(C)nn2C)-c1ccco1)[*:1]
CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)OC)c1C CCOC(=O)[*:1] COC(=O)c1sc(NC(=O)c2cccs2)c(c1C)[*:1]
CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)OC)c1C COC(=O)[*:1] CCOC(=O)c1c(NC(=O)c2cccs2)sc(c1C)[*:1]
CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)OC)c1C c1csc(c1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc(C(=O)OC)c1C
Cc1nn(C)c(C)c1C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] Cc1nn(C)c(C)c1C(=O)N[C@H]1CCCCC[C@@H]1[*:1]
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(SCc4cccc(OC)c4)n3c2c1 COc1cccc(c1)CS[*:1] CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(n3c2c1)[*:1]
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(SCc4cccc(OC)c4)n3c2c1 COc1cccc(c1)C[*:1] CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(S[*:1])n3c2c1
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(SCc4cccc(OC)c4)n3c2c1 COc1cccc(c1)[*:1] CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(SC[*:1])n3c2c1
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nnc(SCc4cccc(OC)c4)n3c2c1 CC[C@@H](C)NC(=O)[*:1] COc1cccc(c1)CSc1nnc2n(C)c(=O)c3ccc(cc3n12)[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2cc[nH+]cc2[O-])ccn1 CC(C)(C)O[*:1] O=C(Nc1cc[nH+]cc1[O-])c1ccnc(c1)[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2cc[nH+]cc2[O-])ccn1 CC(C)(C)[*:1] O=C(Nc1cc[nH+]cc1[O-])c1ccnc(c1)O[*:1]
O=C(CSc1ncccc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCO2 Clc1cccnc1S[*:1] O=C(C[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
O=C(CSc1ncccc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCO2 Clc1cccnc1[*:1] O=C(CS[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
CN(C(=O)COCCOc1ccccc1)c1cccc2ncccc12 c1ccc(cc1)O[*:1] CN(C(=O)COCC[*:1])c1cccc2ncccc12
CN(C(=O)COCCOc1ccccc1)c1cccc2ncccc12 c1ccc(cc1)[*:1] CN(C(=O)COCCO[*:1])c1cccc2ncccc12
CN(C(=O)COCCOc1ccccc1)c1cccc2ncccc12 c1ccc(cc1)OC[*:1] CN(C(=O)COC[*:1])c1cccc2ncccc12
COc1ccccc1N1N=C(C(=O)c2ccccc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]21 COc1ccccc1[*:1] Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=NN([C@H]2C1=O)[*:1])C(=O)c1ccccc1
COc1ccccc1N1N=C(C(=O)c2ccccc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]21 Cc1c(Cl)cccc1[*:1] COc1ccccc1N1N=C(C(=O)c2ccccc2)[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1]
COc1ccccc1N1N=C(C(=O)c2ccccc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]21 c1ccc(cc1)[*:1] COc1ccccc1N1N=C(C(=O)[*:1])[C@H]2C(=O)N(C(=O)[C@@H]21)c1cccc(Cl)c1C
C#CCN(C(=O)c1ccc(S(=O)(=O)NC)cc1)C1CCCCC1 CNS(=O)(=O)[*:1] C#CCN(C(=O)c1ccc(cc1)[*:1])C1CCCCC1
C#CCN(C(=O)c1ccc(S(=O)(=O)NC)cc1)C1CCCCC1 C#CC[*:1] CNS(=O)(=O)c1ccc(cc1)C(=O)N(C1CCCCC1)[*:1]
C#CCN(C(=O)c1ccc(S(=O)(=O)NC)cc1)C1CCCCC1 C1CCC(CC1)[*:1] C#CCN(C(=O)c1ccc(cc1)S(=O)(=O)NC)[*:1]
CS[C@H]1CCC[C@@H](NC(=O)N(C)Cc2nccn2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CS[C@H]1CCC[C@H](C1)NC(=O)N(C)Cc1nccn1[*:1]
CS[C@H]1CCC[C@@H](NC(=O)N(C)Cc2nccn2Cc2ccccc2)C1 c1ccc(cc1)[*:1] CS[C@H]1CCC[C@H](C1)NC(=O)N(C)Cc1nccn1C[*:1]
Cc1c(N)cccc1SCc1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(N)cccc1SCc1ccc(Cl)cc1[*:1]
C[C@@H]1CCC[C@@]1(C[NH3+])C(=O)[O-] O=C([O-])[*:1] C[C@@H]1CCC[C@]1(C[NH3+])[*:1]
Cc1cc(NC(=O)c2cccn(CC(=O)Nc3nc4c(s3)C[C@H](C)CC4)c2=O)no1 Cc1cc(no1)[*:1] C[C@@H]1CCc2nc(NC(=O)Cn3cccc(C(=O)N[*:1])c3=O)sc2C1
Cc1cc(NC(=O)c2cccn(CC(=O)Nc3nc4c(s3)C[C@H](C)CC4)c2=O)no1 Cc1cc(no1)NC(=O)[*:1] C[C@@H]1CCc2nc(NC(=O)Cn3cccc(c3=O)[*:1])sc2C1
FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 FC(F)(F)[*:1] c1ccc2oc(cc2c1)C[NH2+][C@H]1CCC[C@H](C1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)Cc1c[nH]c2cc(Cl)ccc12 CCS(=O)(=O)C[*:1] CN(C[*:1])C(=O)Cc1c[nH]c2cc(Cl)ccc12
CCS(=O)(=O)CCN(C)C(=O)Cc1c[nH]c2cc(Cl)ccc12 CCS(=O)(=O)CC[*:1] CN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)[*:1]
CCS(=O)(=O)CCN(C)C(=O)Cc1c[nH]c2cc(Cl)ccc12 CCS(=O)(=O)[*:1] CN(CC[*:1])C(=O)Cc1c[nH]c2cc(Cl)ccc12
CC(C)Oc1c(Cl)cccc1NCc1nnc(C(C)(C)C)o1 CC(C)(C)[*:1] CC(C)Oc1c(Cl)cccc1NCc1nnc(o1)[*:1]
CC(C)Oc1c(Cl)cccc1NCc1nnc(C(C)(C)C)o1 CC(C)[*:1] CC(C)(C)c1nnc(CNc2cccc(Cl)c2O[*:1])o1
CC(C)Oc1c(Cl)cccc1NCc1nnc(C(C)(C)C)o1 CC(C)O[*:1] CC(C)(C)c1nnc(CNc2cccc(Cl)c2[*:1])o1
CN(CCCc1cnn(C)c1)C[C@@]1(O)C[NH2+]CCOC1 Cn1cc(cn1)[*:1] CN(CCC[*:1])C[C@@]1(O)C[NH2+]CCOC1
Cc1ccc(-c2nc(NC(=O)c3ccccc3)sc2NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccccc1 Cc1ccc(cc1)-c1nc(sc1NC(=O)c1ccco1)[*:1]
Cc1ccc(-c2nc(NC(=O)c3ccccc3)sc2NC(=O)c2ccco2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(c(NC(=O)c2ccco2)s1)[*:1])c1ccccc1
Cc1ccc(-c2nc(NC(=O)c3ccccc3)sc2NC(=O)c2ccco2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(NC(=O)[*:1])sc1NC(=O)c1ccco1
Cc1ccc(-c2nc(NC(=O)c3ccccc3)sc2NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-c1nc(NC(=O)c2ccccc2)sc1NC(=O)[*:1]
Cc1ccc(-c2nc(NC(=O)c3ccccc3)sc2NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)-c1nc(NC(=O)c2ccccc2)sc1[*:1]
CCCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 CCCCC[*:1] Nc1c(C(=O)N[*:1])c2nc3ccccc3nc2n1Cc1ccc2OCOc2c1
CCCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 c1cc2OCOc2cc1[*:1] CCCCCNC(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
CCCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 c1cc2OCOc2cc1C[*:1] CCCCCNC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
CCCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 CCC[*:1] Nc1c(C(=O)NCC[*:1])c2nc3ccccc3nc2n1Cc1ccc2OCOc2c1
CCCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 CCCCCNC(=O)[*:1] Nc1c(c2nc3ccccc3nc2n1Cc1ccc2OCOc2c1)[*:1]
CCCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 CCCC[*:1] Nc1c(C(=O)NC[*:1])c2nc3ccccc3nc2n1Cc1ccc2OCOc2c1
Cc1cc(C)n([C@H](C)CC(=O)OCC(=O)c2ccc(Cl)cc2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CC(=O)OCC(=O)c1ccc(Cl)cc1)[*:1]
Cc1cc(C)n([C@H](C)CC(=O)OCC(=O)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1cc(C)n(n1)[C@H](C)CC(=O)OCC(=O)[*:1]
C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCc2ccccc2CC1 FC(F)(F)[*:1] C[C@@H](C(=O)NC[*:1])[NH+]1CCc2ccccc2CC1
C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCc2ccccc2CC1 FC(F)(F)C[*:1] C[C@@H](C(=O)N[*:1])[NH+]1CCc2ccccc2CC1
Cn1cnc(CNCc2sc(Sc3ccccc3)nc2Cl)n1 Cn1cnc(C[*:1])n1 Clc1nc(Sc2ccccc2)sc1CN[*:1]
Cn1cnc(CNCc2sc(Sc3ccccc3)nc2Cl)n1 c1ccc(cc1)S[*:1] Cn1cnc(CNCc2sc(nc2Cl)[*:1])n1
Cn1cnc(CNCc2sc(Sc3ccccc3)nc2Cl)n1 c1ccc(cc1)[*:1] Cn1cnc(CNCc2sc(nc2Cl)S[*:1])n1
Cn1cnc(CNCc2sc(Sc3ccccc3)nc2Cl)n1 Cn1cnc(n1)[*:1] Clc1nc(Sc2ccccc2)sc1CNC[*:1]
O=C(Nc1cc(F)ccc1F)N1CCC(c2ccc(O)cc2)CC1 Fc1ccc(F)c(c1)[*:1] O=C(N[*:1])N1CCC(CC1)c1ccc(O)cc1
O=C(Nc1cc(F)ccc1F)N1CCC(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(Nc1cc(F)ccc1F)N1CCC(CC1)[*:1]
CCN1C(=O)c2cccc3c(S(=O)(=O)Oc4ccccc4C)ccc1c23 Cc1ccccc1[*:1] CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)O[*:1]
c1ccc([C@@H]2C[C@H](c3ccco3)n3cnnc3N2)cc1 c1ccc(cc1)[*:1] c1coc(c1)[C@H]1C[C@H](Nc2nncn21)[*:1]
c1ccc([C@@H]2C[C@H](c3ccco3)n3cnnc3N2)cc1 c1coc(c1)[*:1] c1ccc(cc1)[C@@H]1C[C@H](n2cnnc2N1)[*:1]
Cc1cccc(C)c1-n1nnnc1C[S@@](=O)c1nncn1C(C)C CC(C)[*:1] Cc1cccc(C)c1-n1nnnc1C[S@@](=O)c1nncn1[*:1]
Cc1cccc(C)c1-n1nnnc1C[S@@](=O)c1nncn1C(C)C Cc1cccc(C)c1[*:1] CC(C)n1cnnc1[S@](=O)Cc1nnnn1[*:1]
Cc1cccc(C)c1-n1nnnc1C[S@@](=O)c1nncn1C(C)C CC(C)n1cnnc1[*:1] Cc1cccc(C)c1-n1nnnc1C[S@@](=O)[*:1]
C[C@@H](C(=O)N1CCCc2ccccc21)[S@@](=O)Cc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](C(=O)N1CCCc2ccccc21)[S@@](=O)C[*:1]
Cc1cc(C)c(C)c(OCC(=O)N/N=C/c2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1cc(C)c(C)c(c1)OCC(=O)NN=C[*:1]
CS(=O)(=O)c1ccc(CC(=O)N(Cc2ccncc2)c2nc3ccc(Cl)cc3s2)cc1 c1cc(ccn1)C[*:1] CS(=O)(=O)c1ccc(cc1)CC(=O)N(c1nc2ccc(Cl)cc2s1)[*:1]
CS(=O)(=O)c1ccc(CC(=O)N(Cc2ccncc2)c2nc3ccc(Cl)cc3s2)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=C(C[*:1])N(Cc1ccncc1)c1nc2ccc(Cl)cc2s1
CS(=O)(=O)c1ccc(CC(=O)N(Cc2ccncc2)c2nc3ccc(Cl)cc3s2)cc1 CS(=O)(=O)[*:1] O=C(Cc1ccc(cc1)[*:1])N(Cc1ccncc1)c1nc2ccc(Cl)cc2s1
CS(=O)(=O)c1ccc(CC(=O)N(Cc2ccncc2)c2nc3ccc(Cl)cc3s2)cc1 c1cc(ccn1)[*:1] CS(=O)(=O)c1ccc(cc1)CC(=O)N(C[*:1])c1nc2ccc(Cl)cc2s1
CS(=O)(=O)c1ccc(CC(=O)N(Cc2ccncc2)c2nc3ccc(Cl)cc3s2)cc1 Clc1ccc2nc(sc2c1)[*:1] CS(=O)(=O)c1ccc(cc1)CC(=O)N(Cc1ccncc1)[*:1]
Cc1ccn(-c2ccccc2NCc2ccccn2)n1 Cc1ccn(n1)[*:1] c1ccc(CNc2ccccc2[*:1])nc1
Cc1ccn(-c2ccccc2NCc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1ccn(n1)-c1ccccc1NC[*:1]
CCc1cccc(NC(=O)N[C@H](C)[C@@H](O)c2ccc(OC)cc2)c1 COc1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)N[C@H](C)[C@@H](O)[*:1]
CCc1cccc(NC(=O)N[C@H](C)[C@@H](O)c2ccc(OC)cc2)c1 CCc1cccc(c1)[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)N[*:1]
CCN(CC)C(=O)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])o1 CCN(CC)C(=O)[*:1] O=C(Nc1c(oc2ccccc12)[*:1])c1ccc(o1)[N+](=O)[O-]
CCN(CC)C(=O)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] CCN(CC)C(=O)c1oc2ccccc2c1NC(=O)c1ccc(o1)[*:1]
CCN(CC)C(=O)c1oc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] CCN(CC)C(=O)c1oc2ccccc2c1NC(=O)[*:1]
CCN(CC)C(=O)CCC(=O)NNC(=O)c1c[nH]c2ccccc12 CCN(CC)C(=O)C[*:1] O=C(C[*:1])NNC(=O)c1c[nH]c2ccccc12
CCN(CC)C(=O)CCC(=O)NNC(=O)c1c[nH]c2ccccc12 CCN(CC)C(=O)[*:1] O=C(CC[*:1])NNC(=O)c1c[nH]c2ccccc12
CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(N3CCCNC3=O)c2)C1 O=C1NCCCN1[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
CC(C)Sc1ccc(S(=O)(=O)N(C)C)cn1 CC(C)S[*:1] CN(C)S(=O)(=O)c1ccc(nc1)[*:1]
CC(C)Sc1ccc(S(=O)(=O)N(C)C)cn1 CC(C)[*:1] CN(C)S(=O)(=O)c1ccc(nc1)S[*:1]
CCCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2)cc1 CCC[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)N1CCC[C@H]1c1ccccc1
CCCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)N1CCC[C@@H]1[*:1]
CCCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2)cc1 CCCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[C@H]1c1ccccc1
Cc1cc2nc(C[NH2+]C(C)C)[nH]c2cc1C CC(C)[*:1] Cc1cc2nc(C[NH2+][*:1])[nH]c2cc1C
CCC[NH2+][C@@H](C)c1cnc([C@@H]2CN(CC)CCO2)s1 CCC[*:1] CCN1CCO[C@@H](C1)c1ncc(s1)[C@H](C)[NH2+][*:1]
CCOc1ccc(NC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1F CS(=O)(=O)[*:1] CCOc1ccc(cc1F)NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CCOc1ccc(NC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1F CCO[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)Nc1ccc(c(F)c1)[*:1]
Cc1noc(C(C)C)c1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 CC(C)[*:1] Cc1noc(c1C(=O)NCc1ccc(cc1)C[NH+]1C[C@@H](C)C[C@H](C)C1)[*:1]
Cc1noc(C(C)C)c1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 Cc1noc(c1[*:1])C(C)C C[C@H]1C[C@H](C)C[NH+](Cc2ccc(cc2)CNC(=O)[*:1])C1
CCc1c(C)[nH]c2cc([C@H]3CCCN(C(=O)C(C)C)C3)nn2c1=O CC(C)[*:1] CCc1c(C)[nH]c2cc(nn2c1=O)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@@H]1CN([C@H](C[NH3+])CC(N)=O)CCCO1 NC(=O)[*:1] C[C@@H]1CN(CCCO1)[C@H](C[NH3+])C[*:1]
C[C@@H]1CN([C@H](C[NH3+])CC(N)=O)CCCO1 NC(=O)C[*:1] C[C@@H]1CN(CCCO1)[C@H](C[NH3+])[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N2CCC(CC2)C(=O)NCCc2ccccn2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)c1C c1ccc(C[*:1])nc1 CC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)C(=O)NC[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)c1C c1ccc(nc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)C(=O)NCC[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)c1C c1ccc(CC[*:1])nc1 CC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)C(=O)N[*:1])c1C
NNC(=O)[C@H](CO)NC(=O)c1cccnc1 NNC(=O)[*:1] O=C(N[C@@H](CO)[*:1])c1cccnc1
C[C@H]1C[C@H](C)CN(S(=O)(=O)/C=C/c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)C=C[*:1]
O=C(c1cccc2ccccc12)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 Fc1cccc(Cl)c1[*:1] O=C(c1cccc2ccccc12)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(c1cccc2ccccc12)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 Fc1cccc(Cl)c1C[*:1] O=C(c1cccc2ccccc12)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C1c2ccccc2S(=O)(=O)N1CCSc1nc2sccc2c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2S(=O)(=O)N1CCSc1nc2sccc2c(=O)n1[*:1]
CCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CC(C)(C)OC3 c1ccc(cc1)[*:1] CCSc1nc2nc3COC(C)(C)Cc3cc2c(=O)n1[*:1]
CCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CC(C)(C)OC3 CCS[*:1] CC1(C)Cc2cc3c(=O)n(-c4ccccc4)c(nc3nc2CO1)[*:1]
CC(=O)c1ccc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1cc(nn1-c1ccccc1)[*:1]
CC(=O)c1ccc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)cc1 CC(=O)[*:1] CC(C)c1cc(C(=O)Nc2ccc(cc2)[*:1])n(n1)-c1ccccc1
CC(=O)c1ccc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1cc(nn1[*:1])C(C)C
C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@@H](CC(=O)c1cccs1)NC(=O)[*:1]
C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CCOC1 c1csc(c1)[*:1] C[C@@H](CC(=O)[*:1])NC(=O)[C@@H]1CCOC1
C[C@@H]1CCc2c(sc3ncn(CC(=O)NC[C@H]4COc5ccccc5O4)c(=O)c23)C1 c1ccc2O[C@H](COc2c1)[*:1] C[C@@H]1CCc2c(C1)sc1ncn(CC(=O)NC[*:1])c(=O)c21
CC(C)c1cc(N2CCC[C@@H](n3cccn3)C2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1cc(nc([nH+]1)[*:1])N1CCC[C@H](C1)n1cccn1
CC(C)c1cc(N2CCC[C@@H](n3cccn3)C2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1nc(cc([nH+]1)[*:1])N1CCC[C@H](C1)n1cccn1
CC(C)c1cc(N2CCC[C@@H](n3cccn3)C2)nc(C(C)C)[nH+]1 c1cnn(c1)[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N1CCC[C@@H](C1)[*:1]
C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 FC(F)(F)[*:1] C[C@H](c1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccccc1O[*:1]
C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 C[C@H](c1ccccc1)[*:1] O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(CC1)[*:1]
C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 c1ccc(cc1)[*:1] C[C@H](N1CCN(CC1)S(=O)(=O)c1ccccc1OC(F)(F)F)[*:1]
C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 FC(F)(F)O[*:1] C[C@H](c1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
[NH3+]C[C@]1([C@@H](O)c2ccc(SC(F)(F)F)cc2)CCOC1 FC(F)(F)S[*:1] [NH3+]C[C@@]1(CCOC1)[C@@H](O)c1ccc(cc1)[*:1]
[NH3+]C[C@]1([C@@H](O)c2ccc(SC(F)(F)F)cc2)CCOC1 FC(F)(F)[*:1] [NH3+]C[C@@]1(CCOC1)[C@@H](O)c1ccc(cc1)S[*:1]
CC(C)Sc1c(S)cnn(C)c1=O CC(C)[*:1] Cn1ncc(S)c(S[*:1])c1=O
CC(C)Sc1c(S)cnn(C)c1=O CC(C)S[*:1] Cn1ncc(S)c(c1=O)[*:1]
Cc1nc(CCNS(=O)(=O)c2ccc(OC(C)C)cc2)cs1 CC(C)O[*:1] Cc1nc(cs1)CCNS(=O)(=O)c1ccc(cc1)[*:1]
Cc1nc(CCNS(=O)(=O)c2ccc(OC(C)C)cc2)cs1 CC(C)[*:1] Cc1nc(cs1)CCNS(=O)(=O)c1ccc(cc1)O[*:1]
Cc1nc(CCNS(=O)(=O)c2ccc(OC(C)C)cc2)cs1 Cc1nc(cs1)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)NCC[*:1]
Cc1nc(CCNS(=O)(=O)c2ccc(OC(C)C)cc2)cs1 Cc1nc(cs1)C[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)NC[*:1]
COc1ccc(OC)c([C@@H](C)Nc2ncccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OC)c(c1)[C@@H](C)Nc1ncccc1[*:1]
COc1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc(I)c1OC O=C([O-])[*:1] COc1cc(/C=N/N=C2\NC(=O)[C@@H](C[*:1])S2)cc(I)c1OC
COc1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc(I)c1OC O=C([O-])C[*:1] COc1cc(/C=N/N=C2\NC(=O)[C@@H](S2)[*:1])cc(I)c1OC
C[C@H](NC(=O)N(CCCCO)C1CC1)C(=O)N1CCCC[C@@H]1C OCC[*:1] C[C@H](NC(=O)N(CC[*:1])C1CC1)C(=O)N1CCCC[C@@H]1C
C[C@H](NC(=O)N(CCCCO)C1CC1)C(=O)N1CCCC[C@@H]1C C1CC1[*:1] C[C@H](NC(=O)N(CCCCO)[*:1])C(=O)N1CCCC[C@@H]1C
C[C@H](NC(=O)N(CCCCO)C1CC1)C(=O)N1CCCC[C@@H]1C OCCC[*:1] C[C@H](NC(=O)N(C[*:1])C1CC1)C(=O)N1CCCC[C@@H]1C
C[C@H](NC(=O)N(CCCCO)C1CC1)C(=O)N1CCCC[C@@H]1C OCCCC[*:1] C[C@H](NC(=O)N(C1CC1)[*:1])C(=O)N1CCCC[C@@H]1C
O=C(Cn1nc(-c2ccccc2)c2ccccc21)N1CCN(c2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(Cn1nc(c2ccccc21)[*:1])N1CCN(CC1)c1ccccc1F
O=C(Cn1nc(-c2ccccc2)c2ccccc21)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(Cn1nc(-c2ccccc2)c2ccccc21)N1CCN(CC1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH2+][C@H]2CCOC2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](CC[NH2+][C@H]2CCOC2)C1
[NH3+]CC[S@](=O)C1=c2ccccc2=[NH+][C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] [NH3+]CC[S@](=O)C1=c2ccccc2=[NH+][C@@H]1[*:1]
COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)ccc1Cl COC(=O)[*:1] C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(c1)[*:1]
CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CN(C(=O)c2ccccn2)CCO1 c1ccc(cc1)[*:1] CCNC(=O)[C@@]1(Cc2ccc(cc2)[*:1])CN(CCO1)C(=O)c1ccccn1
CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CN(C(=O)c2ccccn2)CCO1 c1ccc(nc1)[*:1] CCNC(=O)[C@@]1(Cc2ccc(cc2)-c2ccccc2)CN(CCO1)C(=O)[*:1]
CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CN(C(=O)c2ccccn2)CCO1 CCNC(=O)[*:1] O=C(c1ccccn1)N1CCO[C@@](Cc2ccc(cc2)-c2ccccc2)(C1)[*:1]
FC(F)(F)C[C@H](Nn1cccc1)c1ccccc1 c1ccc(cc1)[*:1] FC(F)(F)C[C@H](Nn1cccc1)[*:1]
FC(F)(F)C[C@H](Nn1cccc1)c1ccccc1 c1ccn(c1)N[*:1] FC(F)(F)C[C@H](c1ccccc1)[*:1]
FC(F)(F)C[C@H](Nn1cccc1)c1ccccc1 FC(F)(F)[*:1] c1ccc(cc1)[C@H](C[*:1])Nn1cccc1
FC(F)(F)C[C@H](Nn1cccc1)c1ccccc1 FC(F)(F)C[*:1] c1ccc(cc1)[C@@H](Nn1cccc1)[*:1]
Cc1ccc(C(C)(C)C)c(OCC(=O)c2nc(C)c(C(=O)[O-])s2)c1 O=C([O-])[*:1] Cc1ccc(c(c1)OCC(=O)c1nc(C)c(s1)[*:1])C(C)(C)C
Cc1ccc(C(C)(C)C)c(OCC(=O)c2nc(C)c(C(=O)[O-])s2)c1 CC(C)(C)[*:1] Cc1ccc(c(c1)OCC(=O)c1nc(C)c(s1)C(=O)[O-])[*:1]
CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC)c(Cl)c1 CCNC(=O)C(C#N)=C[*:1] CCOc1ccc(cc1Cl)-c1nn(cc1[*:1])-c1ccccc1
CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC)c(Cl)c1 CCO[*:1] CCNC(=O)/C(C#N)=C\c1cn(nc1-c1ccc(c(Cl)c1)[*:1])-c1ccccc1
CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC)c(Cl)c1 CCOc1ccc(cc1Cl)[*:1] CCNC(=O)/C(C#N)=C\c1cn(nc1[*:1])-c1ccccc1
CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC)c(Cl)c1 c1ccc(cc1)[*:1] CCNC(=O)/C(C#N)=C\c1cn(nc1-c1ccc(OCC)c(Cl)c1)[*:1]
CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC)c(Cl)c1 CCNC(=O)[*:1] CCOc1ccc(cc1Cl)-c1nn(cc1C=C(C#N)[*:1])-c1ccccc1
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 N#Cc1cccc(c1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 COC(=O)C(C)(C)[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)[*:1])c1cccc(C#N)c1
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 COC(=O)[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)C(C)(C)[*:1])c1cccc(C#N)c1
C=CCSC1=NC(=O)C2=C3C[C@@](C)(CC)OC[C@H]3SC2=N1 C=CC[*:1] CC[C@]1(C)CC2=C3C(=O)N=C(N=C3S[C@@H]2CO1)S[*:1]
O=C([C@H](c1ccccc1)n1cnnn1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@H](c1ccccc1)n1cnnn1)N1CCN(CC1)[*:1]
O=C([C@H](c1ccccc1)n1cnnn1)N1CCN(c2ccc(F)cc2)CC1 c1nnnn1[*:1] O=C([C@H](c1ccccc1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C([C@H](c1ccccc1)n1cnnn1)N1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C([C@H](n1cnnn1)[*:1])N1CCN(CC1)c1ccc(F)cc1
CO/N=C/c1ccc(C(=O)N2CCN(Cc3cc(C)on3)CC2)cc1 Cc1cc(no1)[*:1] CO/N=C/c1ccc(cc1)C(=O)N1CCN(CC1)C[*:1]
CO/N=C/c1ccc(C(=O)N2CCN(Cc3cc(C)on3)CC2)cc1 Cc1cc(C[*:1])no1 CO/N=C/c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
CO/N=C/c1ccc(C(=O)N2CCN(Cc3cc(C)on3)CC2)cc1 CON=C[*:1] Cc1cc(CN2CCN(CC2)C(=O)c2ccc(cc2)[*:1])no1
COc1ccc(-c2nnc(S)n2/N=C\c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nnc(S)n1N=C[*:1]
CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)cc1C CCOC(=O)[*:1] COc1ccc(cc1)C(=O)Nc1cc(C)c(s1)[*:1]
COC(=O)[C@@H]1CCN(C(=O)CCCc2ccc(C)s2)c2ccccc21 COC(=O)[*:1] Cc1ccc(CCCC(=O)N2CC[C@H](c3ccccc32)[*:1])s1
COC(=O)[C@@H]1CCN(C(=O)CCCc2ccc(C)s2)c2ccccc21 Cc1ccc(CC[*:1])s1 COC(=O)[C@@H]1CCN(C(=O)C[*:1])c2ccccc21
COC(=O)[C@@H]1CCN(C(=O)CCCc2ccc(C)s2)c2ccccc21 Cc1ccc(C[*:1])s1 COC(=O)[C@@H]1CCN(C(=O)CC[*:1])c2ccccc21
COC(=O)[C@@H]1CCN(C(=O)CCCc2ccc(C)s2)c2ccccc21 Cc1ccc(s1)[*:1] COC(=O)[C@@H]1CCN(C(=O)CCC[*:1])c2ccccc21
O=C(NCc1ccco1)c1cc(-c2ccncc2)[nH]n1 c1cc(ccn1)[*:1] O=C(NCc1ccco1)c1cc([nH]n1)[*:1]
O=C(NCc1ccco1)c1cc(-c2ccncc2)[nH]n1 c1coc(c1)[*:1] O=C(NC[*:1])c1cc([nH]n1)-c1ccncc1
O=C(NCc1ccco1)c1cc(-c2ccncc2)[nH]n1 c1coc(c1)C[*:1] O=C(N[*:1])c1cc([nH]n1)-c1ccncc1
COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C[C@H]2CCCO2)c1N COCC[*:1] Cc1cccn2c(=O)c3cc(C(=O)NC[*:1])c(N)[n+](C[C@H]4CCCO4)c3nc12
COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C[C@H]2CCCO2)c1N COC[*:1] Cc1cccn2c(=O)c3cc(C(=O)NCC[*:1])c(N)[n+](C[C@H]4CCCO4)c3nc12
COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C[C@H]2CCCO2)c1N COCCC[*:1] Cc1cccn2c(=O)c3cc(C(=O)N[*:1])c(N)[n+](C[C@H]4CCCO4)c3nc12
COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C[C@H]2CCCO2)c1N COCCCNC(=O)[*:1] Cc1cccn2c(=O)c3cc(c(N)[n+](C[C@H]4CCCO4)c3nc12)[*:1]
Cc1cc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3cnn(C(C)C)c3n2)c(C)s1 c1ccc(cc1)[*:1] Cc1cc(-c2cc(C(=O)N3CCN(CC3)[*:1])c3cnn(c3n2)C(C)C)c(C)s1
Cc1cc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3cnn(C(C)C)c3n2)c(C)s1 Cc1cc(c(C)s1)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)N1CCN(CC1)c1ccccc1
Cc1cc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3cnn(C(C)C)c3n2)c(C)s1 CC(C)[*:1] Cc1cc(-c2cc(C(=O)N3CCN(CC3)c3ccccc3)c3cnn(c3n2)[*:1])c(C)s1
CC[C@@H](C)[C@@](C)(O)CNC(=O)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] CC[C@@H](C)[C@@](C)(O)CNC(=O)Nc1cnn(c1)[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c1 Cc1cccc(c1)[*:1] O=C(Nc1cccc(Cl)c1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c1 O=C(Nc1cccc(Cl)c1)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)c1nnc(s1)C(=O)N[*:1]
[NH3+][C@@]1(CO)CC[C@@H](N2CCC(C(F)(F)F)CC2)C1 FC(F)(F)[*:1] [NH3+][C@@]1(CO)CC[C@H](C1)N1CCC(CC1)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2cccc(C#N)c2)c1 N#Cc1cccc(c1)C[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)C(=O)N[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)C(=O)NC[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2cccc(C#N)c2)c1 CCC(=O)N[*:1] Cc1ccc(cc1NC(=O)C(=O)NCc1cccc(C#N)c1)[*:1]
Cc1ccnn1CCC(=O)N1CCC(c2cnccn2)CC1 Cc1ccnn1[*:1] O=C(CC[*:1])N1CCC(CC1)c1cnccn1
Cc1ccnn1CCC(=O)N1CCC(c2cnccn2)CC1 Cc1ccnn1C[*:1] O=C(C[*:1])N1CCC(CC1)c1cnccn1
Cc1ccnn1CCC(=O)N1CCC(c2cnccn2)CC1 c1cnc(cn1)[*:1] Cc1ccnn1CCC(=O)N1CCC(CC1)[*:1]
C[C@@H]1CCc2nc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccccc3)sc2C1 c1ccc(cc1)[*:1] C[C@@H]1CCc2nc(NC(=O)c3ccccc3[N-]S(=O)(=O)[*:1])sc2C1
CCCOC(=O)Nc1c(C)cccc1C CCC[*:1] Cc1cccc(C)c1NC(=O)O[*:1]
CCN(Cc1cnc(Cl)s1)C[C@@H]1COc2ccccc2O1 Clc1ncc(s1)[*:1] CCN(C[C@@H]1COc2ccccc2O1)C[*:1]
CCN(Cc1cnc(Cl)s1)C[C@@H]1COc2ccccc2O1 Clc1ncc(C[*:1])s1 CCN(C[C@@H]1COc2ccccc2O1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)NCC(C)(C)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)NCC(C)(C)c1ccncc1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)NCC(C)(C)c1ccncc1)[*:1]
CCOC(=O)CNS(=O)(=O)c1cc(Br)sc1C CCOC(=O)[*:1] Cc1sc(Br)cc1S(=O)(=O)NC[*:1]
CCOc1ccc(OCC)c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 CCO[*:1] CCOc1ccc(cc1NC(=O)[C@@H]1CC(=O)N(C1)C1CCCC1)[*:1]
CCOc1ccc(OCC)c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 C1CCC(C1)[*:1] CCOc1ccc(OCC)c(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(OCC)c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 CCO[*:1] CCOc1ccc(c(c1)NC(=O)[C@@H]1CC(=O)N(C1)C1CCCC1)[*:1]
C[NH+](Cc1nnnn1C1CC1)C1CCCC1 C1CCC(C1)[*:1] C[NH+](Cc1nnnn1C1CC1)[*:1]
C[NH+](Cc1nnnn1C1CC1)C1CCCC1 C1CC1[*:1] C[NH+](Cc1nnnn1[*:1])C1CCCC1
CCC[NH2+]CC(C)(C)COc1ccc(F)cc1 CCC[*:1] CC(C)(C[NH2+][*:1])COc1ccc(F)cc1
CN(C)C(=O)NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 CN(C)C(=O)NC(=O)[*:1] O=C(Nc1sc2CCCc2c1[*:1])c1ccc(cc1)[N+](=O)[O-]
CN(C)C(=O)NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 O=[N+]([O-])[*:1] CN(C)C(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc2CCCc21
CN(C)C(=O)NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 O=[N+]([O-])c1ccc(cc1)[*:1] CN(C)C(=O)NC(=O)c1c(NC(=O)[*:1])sc2CCCc21
CC(=O)Oc1ccc(Br)cc1-c1ccccc1 CC(=O)O[*:1] Brc1ccc(c(c1)-c1ccccc1)[*:1]
O=C(Cc1cccs1)N[C@H]1CCc2c(O)cccc21 c1csc(c1)C[*:1] O=C(N[C@H]1CCc2c(O)cccc21)[*:1]
O=C(Cc1cccs1)N[C@H]1CCc2c(O)cccc21 c1csc(c1)[*:1] O=C(C[*:1])N[C@H]1CCc2c(O)cccc21
C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc(Cl)c(Cl)c1 C[C@H]1C[C@@H]1[*:1] C[C@H](NC(=O)[*:1])c1ccc(Cl)c(Cl)c1
Cc1noc2ncnc(N3CCC[C@@H](C(=O)NC4CCCCC4)C3)c12 C1CCC(CC1)[*:1] Cc1noc2ncnc(c12)N1CCC[C@H](C1)C(=O)N[*:1]
N#CCCN(C(=O)c1ccccc1Cl)C1CCCCC1 C1CCC(CC1)[*:1] N#CCCN(C(=O)c1ccccc1Cl)[*:1]
N#CCCN(C(=O)c1ccccc1Cl)C1CCCCC1 N#CCC[*:1] O=C(c1ccccc1Cl)N(C1CCCCC1)[*:1]
N#CCCN(C(=O)c1ccccc1Cl)C1CCCCC1 N#CC[*:1] O=C(c1ccccc1Cl)N(C[*:1])C1CCCCC1
CCc1nn(C)c(C[C@@]2(C(C)(C)C)CCC[NH2+]2)c1Br CC(C)(C)[*:1] CCc1nn(C)c(C[C@]2(CCC[NH2+]2)[*:1])c1Br
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc([S@](C)=O)cc1 COC(=O)[*:1] C[S@](=O)c1ccc(cc1)C(=O)N[C@H]1CCCCC[C@H]1[*:1]
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(cc1)[*:1]
C[C@@H]1CN(C(=O)Cn2cc(-c3ccccc3)nn2)C(C)(C)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)Cn2cc(nn2)[*:1])C(C)(C)CO1
O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)N1CCN(CC1)[*:1]
O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)N1CCN(CC1)C[*:1]
Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@]1(C)CCCO1)O2 C[C@]1(CCCO1)[*:1] Cc1ccc2O[C@@H](C[NH2+]C[*:1])Cc2c1
C[C@@H]1C[NH+]=C(N2CCN(Cc3cnnn3C)CC2)S1 Cn1nncc1[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)C[*:1]
COCCSc1ncc(-c2cccc(OC)c2)c([C@@H]2CCCN(C(C)=O)C2)n1 COc1cccc(c1)[*:1] COCCSc1ncc(c(n1)[C@@H]1CCCN(C1)C(C)=O)[*:1]
COCCSc1ncc(-c2cccc(OC)c2)c([C@@H]2CCCN(C(C)=O)C2)n1 COC[*:1] COc1cccc(c1)-c1cnc(nc1[C@@H]1CCCN(C1)C(C)=O)SC[*:1]
COCCSc1ncc(-c2cccc(OC)c2)c([C@@H]2CCCN(C(C)=O)C2)n1 COCC[*:1] COc1cccc(c1)-c1cnc(nc1[C@@H]1CCCN(C1)C(C)=O)S[*:1]
COCCSc1ncc(-c2cccc(OC)c2)c([C@@H]2CCCN(C(C)=O)C2)n1 COCCS[*:1] COc1cccc(c1)-c1cnc(nc1[C@@H]1CCCN(C1)C(C)=O)[*:1]
CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N[C@H](C)c1cccc2ccccc12
COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1[*:1]
COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl COCCC[*:1] O=C(N[*:1])N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl
COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl COCC[*:1] O=C(NC[*:1])N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl
COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl COC[*:1] O=C(NCC[*:1])N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl
Cc1cc(Br)ccc1SCC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C Cc1cc(Br)ccc1[*:1] Cc1cc(cc(NC(=O)CS[*:1])c1C)S(N)(=O)=O
Cc1cc(Br)ccc1SCC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C NS(=O)(=O)[*:1] Cc1cc(Br)ccc1SCC(=O)Nc1cc(cc(C)c1C)[*:1]
C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)c1nc(C(C)(C)C)no1 FC(F)C[*:1] C[C@H](NC(=O)Nc1cnn(c1)[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)c1nc(C(C)(C)C)no1 FC(F)[*:1] C[C@H](NC(=O)Nc1cnn(c1)C[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)Nc1cnn(c1)CC(F)F)c1nc(no1)[*:1]
Cc1ccc(CC(=O)NCc2[nH+]ccn2CCc2ccccc2)cn1 Cc1ccc(cn1)C[*:1] O=C(NCc1[nH+]ccn1CCc1ccccc1)[*:1]
Cc1ccc(CC(=O)NCc2[nH+]ccn2CCc2ccccc2)cn1 c1ccc(cc1)C[*:1] Cc1ccc(cn1)CC(=O)NCc1[nH+]ccn1C[*:1]
Cc1ccc(CC(=O)NCc2[nH+]ccn2CCc2ccccc2)cn1 c1ccc(cc1)CC[*:1] Cc1ccc(cn1)CC(=O)NCc1[nH+]ccn1[*:1]
Cc1ccc(CC(=O)NCc2[nH+]ccn2CCc2ccccc2)cn1 c1ccc(cc1)[*:1] Cc1ccc(cn1)CC(=O)NCc1[nH+]ccn1CC[*:1]
Cc1ccc(CC(=O)NCc2[nH+]ccn2CCc2ccccc2)cn1 Cc1ccc(cn1)[*:1] O=C(C[*:1])NCc1[nH+]ccn1CCc1ccccc1
CCCCN1C(=S)N[C@H](OC)C1(C)C CCCC[*:1] CO[C@H]1NC(=S)N(C1(C)C)[*:1]
CCCCN1C(=S)N[C@H](OC)C1(C)C CCC[*:1] CO[C@H]1NC(=S)N(C[*:1])C1(C)C
CCn1c2ccccc2c2cc(NC(=O)COc3ccc4c(c3)OCO4)ccc21 c1cc2OCOc2cc1[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)CO[*:1]
COC(=O)C[C@H](NC(=O)Cc1ccccc1Cl)c1cccs1 COC(=O)C[*:1] O=C(Cc1ccccc1Cl)N[C@H](c1cccs1)[*:1]
COC(=O)C[C@H](NC(=O)Cc1ccccc1Cl)c1cccs1 COC(=O)[*:1] O=C(Cc1ccccc1Cl)N[C@@H](C[*:1])c1cccs1
COC(=O)C[C@H](NC(=O)Cc1ccccc1Cl)c1cccs1 Clc1ccccc1[*:1] COC(=O)C[C@H](NC(=O)C[*:1])c1cccs1
COC(=O)C[C@H](NC(=O)Cc1ccccc1Cl)c1cccs1 c1csc(c1)[*:1] COC(=O)C[C@H](NC(=O)Cc1ccccc1Cl)[*:1]
Cc1cc(C)cc(N2C(=O)C[C@@H](NNC(=O)c3ccncc3)C2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(NN[C@@H]1CC(=O)N(C1=O)[*:1])c1ccncc1
Cc1cc(C)cc(N2C(=O)C[C@@H](NNC(=O)c3ccncc3)C2=O)c1 c1cc(ccn1)[*:1] Cc1cc(C)cc(c1)N1C(=O)C[C@@H](NNC(=O)[*:1])C1=O
Nn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccco1 C1CO[C@H](C1)C[*:1] Nn1c(nnc1-c1ccco1)SCC(=O)N[*:1]
Nn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccco1 C1CO[C@H](C1)[*:1] Nn1c(nnc1-c1ccco1)SCC(=O)NC[*:1]
Nn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccco1 c1coc(c1)[*:1] Nn1c(nnc1[*:1])SCC(=O)NC[C@H]1CCCO1
C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(C)(C)c1ccccc1 c1cnnc(c1)[*:1] C[C@H]([NH2+][C@@H]1CCCN(C1)[*:1])C(C)(C)c1ccccc1
C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H]1CCCN(C1)c1cccnn1)C(C)(C)[*:1]
CCCN(C(=O)Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)[*:1] CCCN(C(=O)C[*:1])[C@H]1CCS(=O)(=O)C1
CCCN(C(=O)Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCN(C(=O)Cc1ccc(C)cc1)[*:1]
CCCN(C(=O)Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1ccc(cc1)CC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(CNC(=O)Nc2cccnc2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CNC(=O)Nc1cccnc1
COc1ccc(CNC(=O)Nc2cccnc2)cc1OC(F)F c1cncc(c1)[*:1] COc1ccc(cc1OC(F)F)CNC(=O)N[*:1]
COc1ccc(CNC(=O)Nc2cccnc2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CNC(=O)Nc1cccnc1
Cc1ccc(CN2C[C@H](C(=O)NCCC3=CCCCC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCCC1=CCCCC1)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(CN2C[C@H](C(=O)NCCC3=CCCCC3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(NCCC1=CCCCC1)[C@@H]1CC(=O)N(C1)[*:1]
COc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)C(=O)N1N=C(C[C@@]1(O)c1cccc(c1)[*:1])C(F)(F)F
COc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])c1cccc(c1)[*:1] COc1cccc(c1)C(=O)N1N=C(C[C@]1(O)[*:1])C(F)(F)F
COc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2cccc([N+](=O)[O-])c2)c1 COc1cccc(c1)[*:1] O=C(N1N=C(C[C@@]1(O)c1cccc(c1)[N+](=O)[O-])C(F)(F)F)[*:1]
COc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2cccc([N+](=O)[O-])c2)c1 FC(F)(F)[*:1] COc1cccc(c1)C(=O)N1N=C(C[C@@]1(O)c1cccc(c1)[N+](=O)[O-])[*:1]
CC(C)(C)SCC(=O)NNc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)SCC(=O)NNc1ccccc1[*:1]
CC(C)(C)SCC(=O)NNc1ccccc1[N+](=O)[O-] CC(C)(C)S[*:1] O=C(C[*:1])NNc1ccccc1[N+](=O)[O-]
CC(C)(C)SCC(=O)NNc1ccccc1[N+](=O)[O-] CC(C)(C)SC[*:1] O=C(NNc1ccccc1[N+](=O)[O-])[*:1]
CC(C)(C)SCC(=O)NNc1ccccc1[N+](=O)[O-] CC(C)(C)[*:1] O=C(CS[*:1])NNc1ccccc1[N+](=O)[O-]
C[C@@H](C[C@@H](O)c1ccco1)NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 c1coc(c1)[*:1] C[C@@H](C[C@@H](O)[*:1])NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2
C[C@@H](C[C@@H](O)c1ccco1)NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 O[C@@H](c1ccco1)[*:1] C[C@@H](C[*:1])NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2
COc1ccc(NC(=O)[C@@H](C)S(=O)(=O)[C@H](C)c2ccc(F)cc2)cc1Cl Fc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@@H](C)S(=O)(=O)[C@H](C)[*:1]
CC[NH2+]Cc1cnn(-c2cccc(Cl)c2)c1C(F)F FC(F)[*:1] CC[NH2+]Cc1cnn(-c2cccc(Cl)c2)c1[*:1]
Cc1nc(CN2CCN(CCN3C(=O)NC(C)(C)C3=O)CC2)cs1 Cc1nc(cs1)C[*:1] CC1(C)NC(=O)N(CCN2CCN(CC2)[*:1])C1=O
Cc1nc(CN2CCN(CCN3C(=O)NC(C)(C)C3=O)CC2)cs1 Cc1nc(cs1)[*:1] CC1(C)NC(=O)N(CCN2CCN(CC2)C[*:1])C1=O
CCn1c2ccccc2c2cc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)ccc21 O=S(=O)(N1CCOCC1)[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)c1ccc(F)c(c1)[*:1]
COc1ccccc1S(=O)(=O)NCCC(=O)N(C)C CN(C)C(=O)C[*:1] COc1ccccc1S(=O)(=O)NC[*:1]
COc1ccccc1S(=O)(=O)NCCC(=O)N(C)C CN(C)C(=O)[*:1] COc1ccccc1S(=O)(=O)NCC[*:1]
O=Cc1ccccc1OCC(=O)NC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=Cc1ccccc1OCC(=O)NC(=O)NC[*:1]
O=Cc1ccccc1OCC(=O)NC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=Cc1ccccc1OCC(=O)NC(=O)N[*:1]
CCC(CC)C(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)[*:1] CCC(CC)C(=O)Nc1ccc(cc1)CO[*:1]
CCC(CC)C(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)OC[*:1] CCC(CC)C(=O)Nc1ccc(cc1)[*:1]
CCC(CC)C(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)O[*:1] CCC(CC)C(=O)Nc1ccc(cc1)C[*:1]
CCC(CC)C(=O)Nc1ccc(COC(C)(C)C)cc1 CCC(CC)[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)[*:1]
C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cn(Cc2ccc(F)cc2)nn1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(CCN1C(=O)c1cn(C[*:1])nn1)c1ccccc1
C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cn(Cc2ccc(F)cc2)nn1 Fc1ccc(cc1)C[*:1] C[C@@H]1CN(CCN1C(=O)c1cn(nn1)[*:1])c1ccccc1
C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cn(Cc2ccc(F)cc2)nn1 c1ccc(cc1)[*:1] C[C@@H]1CN(CCN1C(=O)c1cn(Cc2ccc(F)cc2)nn1)[*:1]
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CCOc2cc(Br)ccc21 O=[N+]([O-])[*:1] O=C1/C(=C/c2ccc(cc2)[*:1])CCOc2cc(Br)ccc21
C#CCNC(=O)c1cn2ccccc2n1 C#CC[*:1] O=C(N[*:1])c1cn2ccccc2n1
O=C(NCc1ccc(F)cc1F)[C@H]1CCCN(c2nc3c(F)cccc3s2)C1 Fc1ccc(C[*:1])c(F)c1 O=C(N[*:1])[C@H]1CCCN(C1)c1nc2c(F)cccc2s1
O=C(NCc1ccc(F)cc1F)[C@H]1CCCN(c2nc3c(F)cccc3s2)C1 Fc1ccc(c(F)c1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nc2c(F)cccc2s1
CC(=O)Nc1cc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)ccc1C O=C1CCCCN1[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)[C@H](CC(C)C)[*:1]
CC(=O)Nc1cc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H](CC(C)C)N1CCCCC1=O
CC(=O)Nc1cc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)ccc1C CC(C)C[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)[C@H](N1CCCCC1=O)[*:1]
CC(=O)Nc1cc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)ccc1C CC(C)[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)[C@H](C[*:1])N1CCCCC1=O
C=CCNC(=O)CC(=O)N/N=C/c1cccc(Cl)c1 C=CCNC(=O)[*:1] O=C(C[*:1])N/N=C/c1cccc(Cl)c1
C=CCNC(=O)CC(=O)N/N=C/c1cccc(Cl)c1 C=CC[*:1] O=C(CC(=O)N[*:1])N/N=C/c1cccc(Cl)c1
Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)[C@@H](N(C)C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)[*:1]
Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O Cc1cccc(C)c1[*:1] C[C@H](C(=O)N(C)[C@@H](C(=O)N[*:1])c1ccccc1)N1C(=O)c2ccccc2C1=O
Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O Cc1cccc(C)c1NC(=O)[*:1] C[C@H](C(=O)N(C)[C@H](c1ccccc1)[*:1])N1C(=O)c2ccccc2C1=O
Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O O=C1c2ccccc2C(=O)N1[*:1] Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)[*:1]
COc1ccc(-c2nnn(CC(=O)Nc3cccc(Br)c3)n2)cc1OC Brc1cccc(c1)[*:1] COc1ccc(cc1OC)-c1nnn(CC(=O)N[*:1])n1
c1ccc(-c2nn3c(-c4cccnc4)nnc3c3ccccc23)cc1 c1cncc(c1)[*:1] c1ccc(cc1)-c1nn2c(nnc2c2ccccc12)[*:1]
c1ccc(-c2nn3c(-c4cccnc4)nnc3c3ccccc23)cc1 c1ccc(cc1)[*:1] c1cncc(c1)-c1nnc2c3ccccc3c(nn12)[*:1]
CCc1noc(CN(C)[C@H](C)c2nc(-c3ccccc3C)no2)n1 CCc1noc(n1)[*:1] Cc1ccccc1-c1noc(n1)[C@@H](C)N(C)C[*:1]
CCc1noc(CN(C)[C@H](C)c2nc(-c3ccccc3C)no2)n1 Cc1ccccc1[*:1] CCc1noc(CN(C)[C@H](C)c2nc(no2)[*:1])n1
CCc1noc(CN(C)[C@H](C)c2nc(-c3ccccc3C)no2)n1 CCc1noc(C[*:1])n1 Cc1ccccc1-c1noc(n1)[C@@H](C)N(C)[*:1]
COC(=O)c1scc(C)c1NC(=O)c1cccc(C#N)c1 COC(=O)[*:1] Cc1csc(c1NC(=O)c1cccc(C#N)c1)[*:1]
CCC[NH2+][C@H](c1cccc(C)c1)[C@H]1C[NH+]2CCN1CC2 CCC[*:1] Cc1cccc(c1)[C@@H]([NH2+][*:1])[C@H]1C[NH+]2CCN1CC2
CC(C)(C)CC(C)(C)[NH2+]C[C@H]1CCCCC[C@@H]1[NH3+] CC(C)(C)[*:1] CC(C)(C[*:1])[NH2+]C[C@H]1CCCCC[C@@H]1[NH3+]
CC(C)(C)CC(C)(C)[NH2+]C[C@H]1CCCCC[C@@H]1[NH3+] CC(C)(C)C[*:1] CC(C)([NH2+]C[C@H]1CCCCC[C@@H]1[NH3+])[*:1]
CCCCC1CCC(NC(=O)C(=O)Nc2cc(C(=O)NC)ccc2Cl)CC1 CNC(=O)[*:1] CCCCC1CCC(CC1)NC(=O)C(=O)Nc1cc(ccc1Cl)[*:1]
CCCCC1CCC(NC(=O)C(=O)Nc2cc(C(=O)NC)ccc2Cl)CC1 CCC[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)C(=O)NC1CCC(CC1)C[*:1]
CCCCC1CCC(NC(=O)C(=O)Nc2cc(C(=O)NC)ccc2Cl)CC1 CCCC[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)C(=O)NC1CCC(CC1)[*:1]
NC(=O)[C@H]1COCCN1C(=O)c1occc1Br NC(=O)[*:1] O=C(c1occc1Br)N1CCOC[C@@H]1[*:1]
Cc1ccc([O-])c(CN2CC[C@](C)(C(=O)[O-])C2)[nH+]1 O=C([O-])[*:1] Cc1ccc([O-])c(CN2CC[C@](C)(C2)[*:1])[nH+]1
O=C(Cn1ccc(=O)c2cccc(F)c21)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1ccc(=O)c2cccc(F)c21)N[*:1]
C[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)n1c(N)nnc1SCc1ccccc1Cl Clc1ccccc1CS[*:1] C[C@@H](C(=O)Nc1nc(cs1)-c1ccccc1)n1c(N)nnc1[*:1]
C[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)n1c(N)nnc1SCc1ccccc1Cl c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1nc(cs1)[*:1])n1c(N)nnc1SCc1ccccc1Cl
C[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)n1c(N)nnc1SCc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](C(=O)Nc1nc(cs1)-c1ccccc1)n1c(N)nnc1SC[*:1]
C[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)n1c(N)nnc1SCc1ccccc1Cl Clc1ccccc1C[*:1] C[C@@H](C(=O)Nc1nc(cs1)-c1ccccc1)n1c(N)nnc1S[*:1]
CCCc1nc(C(=O)N(CC)Cc2ccccc2C)n[nH]1 Cc1ccccc1[*:1] CCCc1nc(n[nH]1)C(=O)N(CC)C[*:1]
CCCc1nc(C(=O)N(CC)Cc2ccccc2C)n[nH]1 CCC[*:1] CCN(Cc1ccccc1C)C(=O)c1n[nH]c(n1)[*:1]
O=C([O-])[C@H]1CCCN1C(=O)Cc1csc(-c2cccs2)n1 O=C([O-])[*:1] O=C(Cc1csc(n1)-c1cccs1)N1CCC[C@@H]1[*:1]
O=C([O-])[C@H]1CCCN1C(=O)Cc1csc(-c2cccs2)n1 c1csc(c1)[*:1] O=C([O-])[C@H]1CCCN1C(=O)Cc1csc(n1)[*:1]
COc1cc(CNC(=O)Nc2ccc(C(C)=O)c(C)c2)ccn1 CC(=O)[*:1] COc1cc(ccn1)CNC(=O)Nc1ccc(c(C)c1)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)NNC(=O)c1cc(C)oc1C Cc1ccc(cc1)C[*:1] CC[C@H](NC(=O)NNC(=O)c1cc(C)oc1C)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)NNC(=O)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] CC[C@H](Cc1ccc(C)cc1)NC(=O)NNC(=O)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)NNC(=O)c1cc(C)oc1C Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)NNC(=O)c1cc(C)oc1C
COc1ccc(C[NH2+][C@H](C)CSC)cc1Br CSC[*:1] COc1ccc(cc1Br)C[NH2+][C@H](C)[*:1]
O=C(c1ccc(Oc2ncccn2)cc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 c1cnc(nc1)[*:1] O=C(c1ccc(cc1)O[*:1])N1CCN(CC1)c1ccc(nn1)-n1cccc1
O=C(c1ccc(Oc2ncccn2)cc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 c1cnc(nc1)O[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(nn1)-n1cccc1
O=C(c1ccc(Oc2ncccn2)cc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 c1ccn(c1)[*:1] O=C(c1ccc(cc1)Oc1ncccn1)N1CCN(CC1)c1ccc(nn1)[*:1]
CCc1ccc(C(C)(C)NC(=O)NCCC(=O)N2CCCC2)cc1 CCc1ccc(cc1)[*:1] CC(C)(NC(=O)NCCC(=O)N1CCCC1)[*:1]
CCc1ccc(C(C)(C)NC(=O)NCCC(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)NCC[*:1]
CCc1ccc(C(C)(C)NC(=O)NCCC(=O)N2CCCC2)cc1 O=C(C[*:1])N1CCCC1 CCc1ccc(cc1)C(C)(C)NC(=O)NC[*:1]
COc1ccccc1CN1CCN(c2cnc3ccccc3n2)CC1 COc1ccccc1[*:1] c1ccc2nc(cnc2c1)N1CCN(CC1)C[*:1]
CNC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(C=O)c2)c1C O=Cc1cccc(c1)[*:1] CNC(=O)c1cccc(NC(=O)[C@@H](C)O[*:1])c1C
CNC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(C=O)c2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)[C@@H](C)Oc1cccc(C=O)c1
COC(=O)C(/C=C(/[O-])c1ccccc1)=N\c1ccc(OC)cc1 c1ccc(cc1)[*:1] COC(=O)C(/C=C(/[O-])[*:1])=N\c1ccc(cc1)OC
CC(C)N1C[C@@H](C(=O)N2CCC(C(=O)[O-])CC2)CC1=O O=C([O-])[*:1] CC(C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
CC(C)N1C[C@@H](C(=O)N2CCC(C(=O)[O-])CC2)CC1=O CC(C)[*:1] O=C([O-])C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
COCCOCCOc1ccc(N)c(C)c1 COCCO[*:1] Cc1cc(ccc1N)OCC[*:1]
COCCOCCOc1ccc(N)c(C)c1 COC[*:1] Cc1cc(ccc1N)OCCOC[*:1]
COCCOCCOc1ccc(N)c(C)c1 COCC[*:1] Cc1cc(ccc1N)OCCO[*:1]
Cc1cccc(Nc2ncnc(Nc3ccc4c(c3)OCCO4)c2N)c1 Cc1cccc(c1)N[*:1] Nc1c(ncnc1[*:1])Nc1ccc2OCCOc2c1
Cc1cccc(Nc2ncnc(Nc3ccc4c(c3)OCCO4)c2N)c1 Cc1cccc(c1)[*:1] Nc1c(ncnc1N[*:1])Nc1ccc2OCCOc2c1
Cc1cc(=O)cc(C)n1-c1ccc(Cl)cc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(=O)cc(C)n1-c1ccc(Cl)cc1[*:1]
N#Cc1cccc(COc2cccc(NC(=O)CC3CCC3)c2)c1 O=C(CC1CCC1)N[*:1] N#Cc1cccc(c1)COc1cccc(c1)[*:1]
N#Cc1cccc(COc2cccc(NC(=O)CC3CCC3)c2)c1 N#Cc1cccc(c1)[*:1] O=C(CC1CCC1)Nc1cccc(c1)OC[*:1]
N#Cc1cccc(COc2cccc(NC(=O)CC3CCC3)c2)c1 C1CC(C1)C[*:1] N#Cc1cccc(c1)COc1cccc(c1)NC(=O)[*:1]
N#Cc1cccc(COc2cccc(NC(=O)CC3CCC3)c2)c1 C1CC(C1)[*:1] N#Cc1cccc(c1)COc1cccc(c1)NC(=O)C[*:1]
CCc1cnc(CCNc2ccccc2S(=O)(=O)C(F)F)s1 FC(F)[*:1] CCc1cnc(CCNc2ccccc2S(=O)(=O)[*:1])s1
CCc1cnc(CCNc2ccccc2S(=O)(=O)C(F)F)s1 O=S(=O)(C(F)F)[*:1] CCc1cnc(CCNc2ccccc2[*:1])s1
CCc1cnc(CCNc2ccccc2S(=O)(=O)C(F)F)s1 CCc1cnc(s1)[*:1] O=S(=O)(c1ccccc1NCC[*:1])C(F)F
CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H]2CC[C@H](C)O2)cc1 CC(C)[*:1] C[C@H]1CC[C@H](O1)C(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1ccc(Br)cc1F CSC[*:1] CC[C@@H](N(C)C(=O)c1ccc(Br)cc1F)[*:1]
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)O[*:1]
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 c1cc(ccn1)O[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1ccccc1-n1cncn1)C1CC1 C1CC1[*:1] O=C(Nc1ccccc1-n1cncn1)[*:1]
O=C(Nc1ccccc1-n1cncn1)C1CC1 c1ncn(n1)[*:1] O=C(Nc1ccccc1[*:1])C1CC1
CCn1ccc(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)n1 CCn1ccc(C[*:1])n1 COc1ccc(cc1)-c1cc(C(=O)N(C)[*:1])c2c(C)nn(C)c2n1
CCn1ccc(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)n1 COc1ccc(cc1)[*:1] CCn1ccc(CN(C)C(=O)c2cc(nc3c2c(C)nn3C)[*:1])n1
CCn1ccc(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)n1 CCn1ccc(n1)[*:1] COc1ccc(cc1)-c1cc(C(=O)N(C)C[*:1])c2c(C)nn(C)c2n1
CCn1c(=O)c(-c2noc(C(=O)NCc3ccccc3Cl)n2)nn(-c2ccccc2)c1=O Clc1ccccc1C[*:1] CCn1c(=O)c(nn(-c2ccccc2)c1=O)-c1noc(n1)C(=O)N[*:1]
CCn1c(=O)c(-c2noc(C(=O)NCc3ccccc3Cl)n2)nn(-c2ccccc2)c1=O Clc1ccccc1[*:1] CCn1c(=O)c(nn(-c2ccccc2)c1=O)-c1noc(n1)C(=O)NC[*:1]
CCn1c(=O)c(-c2noc(C(=O)NCc3ccccc3Cl)n2)nn(-c2ccccc2)c1=O c1ccc(cc1)[*:1] CCn1c(=O)c(nn(c1=O)[*:1])-c1noc(n1)C(=O)NCc1ccccc1Cl
CCCc1ncc(C(=O)Nc2cnc(Cl)c(C)c2)s1 CCC[*:1] Cc1cc(cnc1Cl)NC(=O)c1cnc(s1)[*:1]
CCC[NH2+][C@@H](CC(C)C)[C@@H](C)OC CCC[*:1] CO[C@H](C)[C@H](CC(C)C)[NH2+][*:1]
CCC[NH2+][C@@H](CC(C)C)[C@@H](C)OC CC(C)C[*:1] CCC[NH2+][C@@H]([C@@H](C)OC)[*:1]
CCC[NH2+][C@@H](CC(C)C)[C@@H](C)OC CO[C@H](C)[*:1] CCC[NH2+][C@@H](CC(C)C)[*:1]
CCC[NH2+][C@@H](CC(C)C)[C@@H](C)OC CC(C)[*:1] CCC[NH2+][C@@H](C[*:1])[C@@H](C)OC
CSCC[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 CSCC[*:1] O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@@H](N[C@@]21C(=O)Nc2c(Cl)cccc21)[*:1]
CSCC[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 CSC[*:1] O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@H](C[*:1])N[C@@]21C(=O)Nc2c(Cl)cccc21
CSCC[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 C1CO[C@H](C1)C[*:1] CSCC[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
CSCC[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 C1CO[C@H](C1)[*:1] CSCC[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[*:1])C(=O)[C@@H]12
O=C(c1cnc(Oc2ccccc2)cn1)N1CC[C@H](Oc2cccnc2)C1 c1cncc(c1)[*:1] O=C(c1cnc(cn1)Oc1ccccc1)N1CC[C@@H](C1)O[*:1]
O=C(c1cnc(Oc2ccccc2)cn1)N1CC[C@H](Oc2cccnc2)C1 c1ccc(cc1)[*:1] O=C(c1cnc(cn1)O[*:1])N1CC[C@@H](C1)Oc1cccnc1
O=C(c1cnc(Oc2ccccc2)cn1)N1CC[C@H](Oc2cccnc2)C1 c1ccc(cc1)O[*:1] O=C(c1cnc(cn1)[*:1])N1CC[C@@H](C1)Oc1cccnc1
O=C(c1cnc(Oc2ccccc2)cn1)N1CC[C@H](Oc2cccnc2)C1 c1cncc(c1)O[*:1] O=C(c1cnc(cn1)Oc1ccccc1)N1CC[C@H](C1)[*:1]
O=C(N/N=C/c1cccnc1)[C@H]1C=C(c2cccs2)N=N1 c1cncc(c1)[*:1] O=C(NN=C[*:1])[C@H]1C=C(N=N1)c1cccs1
O=C(N/N=C/c1cccnc1)[C@H]1C=C(c2cccs2)N=N1 c1csc(c1)[*:1] O=C(N/N=C/c1cccnc1)[C@H]1C=C(N=N1)[*:1]
NC(=O)Cn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1cccs1 c1csc(c1)[*:1] NC(=O)Cn1c(nnc1[*:1])SCc1cn2cc(Cl)ccc2n1
NC(=O)Cn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1cccs1 NC(=O)[*:1] Clc1ccc2nc(cn2c1)CSc1nnc(-c2cccs2)n1C[*:1]
NC(=O)Cn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1cccs1 NC(=O)C[*:1] Clc1ccc2nc(cn2c1)CSc1nnc(-c2cccs2)n1[*:1]
CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1F)[C@@H]1CCCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1F)[C@@H]1CCCC[C@@H]1[*:1]
CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1F)[C@@H]1CCCC[C@H]1S(C)(=O)=O Fc1ccccc1[*:1] CN(C(=O)[C@@H]1C[C@H]1[*:1])[C@@H]1CCCC[C@H]1S(C)(=O)=O
COc1cccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1F Fc1ccccc1O[*:1] COc1cccc(C(=O)NNC(=O)[C@@H](C)[*:1])c1F
COc1cccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1F Fc1ccccc1[*:1] COc1cccc(C(=O)NNC(=O)[C@@H](C)O[*:1])c1F
Cc1ccc(C)c(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c1 Clc1cccc(c1)[*:1] Cc1ccc(C)c(c1)C(=O)OCc1nc(no1)[*:1]
Cc1ccc(C)c(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c1 Cc1ccc(C)c(c1)[*:1] O=C(OCc1nc(no1)-c1cccc(Cl)c1)[*:1]
COC[C@@H](C)NC(=O)C[S@](=O)c1ccc(Cl)c(Cl)c1 COC[C@@H](C)[*:1] O=C(C[S@](=O)c1ccc(Cl)c(Cl)c1)N[*:1]
COC[C@@H](C)NC(=O)C[S@](=O)c1ccc(Cl)c(Cl)c1 COC[*:1] C[C@@H](NC(=O)C[S@](=O)c1ccc(Cl)c(Cl)c1)[*:1]
N/C(=N/O)C1CCN(C(=O)Cc2cccc(F)c2F)CC1 N/C(=N/O)[*:1] O=C(Cc1cccc(F)c1F)N1CCC(CC1)[*:1]
O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] O=C1[C@H](CCCN1c1ccccc1)NC(=O)[*:1]
O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1c(Cl)cccc1Cl c1ccc(cc1)[*:1] O=C(N[C@H]1CCCN(C1=O)[*:1])c1c(Cl)cccc1Cl
CCc1nc(CNC(=O)[C@@H](CC)n2cc(C(C)=O)c3ccccc32)cs1 CCc1nc(cs1)C[*:1] CC[C@H](C(=O)N[*:1])n1cc(C(C)=O)c2ccccc21
CCc1nc(CNC(=O)[C@@H](CC)n2cc(C(C)=O)c3ccccc32)cs1 CC(=O)[*:1] CCc1nc(cs1)CNC(=O)[C@@H](CC)n1cc(c2ccccc21)[*:1]
CCc1nc(CNC(=O)[C@@H](CC)n2cc(C(C)=O)c3ccccc32)cs1 CCc1nc(cs1)[*:1] CC[C@H](C(=O)NC[*:1])n1cc(C(C)=O)c2ccccc21
Cc1ccc(NC(=O)CS[C@H]2NN[C@@H]([C@@H]3C=C(c4ccccc4)N=N3)N2N)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)CS[C@H]1NN[C@@H]([C@@H]2C=C(N=N2)[*:1])N1N
Cc1ccc(NC(=O)CS[C@H]2NN[C@@H]([C@@H]3C=C(c4ccccc4)N=N3)N2N)cc1Cl Cc1ccc(cc1Cl)[*:1] NN1[C@H](NN[C@H]1[C@@H]1C=C(N=N1)c1ccccc1)SCC(=O)N[*:1]
CC(C)=C[C@H]1[C@H](C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)C1(C)C CC(C)=C[*:1] CC1(C)[C@@H](C(=O)OCC(=O)Nc2ccc3OCCCOc3c2)[C@@H]1[*:1]
CC(C)n1cc(/C=N/NC(=O)CSc2nnc(N)s2)cn1 CC(C)[*:1] Nc1nnc(SCC(=O)N/N=C/c2cnn(c2)[*:1])s1
CC(C)n1cc(/C=N/NC(=O)CSc2nnc(N)s2)cn1 Nc1nnc(s1)[*:1] CC(C)n1cc(/C=N/NC(=O)CS[*:1])cn1
CC(C)n1cc(/C=N/NC(=O)CSc2nnc(N)s2)cn1 Nc1nnc(S[*:1])s1 CC(C)n1cc(/C=N/NC(=O)C[*:1])cn1
CCCc1cc(NC(=O)c2ccc(-c3cccs3)nc2C)n(C)n1 c1csc(c1)[*:1] CCCc1cc(NC(=O)c2ccc(nc2C)[*:1])n(C)n1
CCCc1cc(NC(=O)c2ccc(-c3cccs3)nc2C)n(C)n1 CCC[*:1] Cc1nc(ccc1C(=O)Nc1cc(nn1C)[*:1])-c1cccs1
O=C1CCC(C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)=NN1 c1cncc(c1)[*:1] O=C1CCC(=NN1)C(=O)NCCN1C(=O)SC(=C[*:1])C1=O
CCOC(=O)C1=C(C)C(C(=O)OCc2ccccn2)=N[C@@H]1C CCOC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)OCc1ccccn1
CCOC(=O)C1=C(C)C(C(=O)OCc2ccccn2)=N[C@@H]1C c1ccc(nc1)[*:1] CCOC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)OC[*:1]
CCOC(=O)C1=C(C)C(C(=O)OCc2ccccn2)=N[C@@H]1C c1ccc(C[*:1])nc1 CCOC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)O[*:1]
COc1ccccc1N(Cc1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] COc1ccccc1N(C[*:1])S(C)(=O)=O
C#CCOc1ccc(Br)cc1C[NH2+]CC1CC1 C1CC1[*:1] C#CCOc1ccc(Br)cc1C[NH2+]C[*:1]
C#CCOc1ccc(Br)cc1C[NH2+]CC1CC1 C1CC1C[*:1] C#CCOc1ccc(Br)cc1C[NH2+][*:1]
C#CCOc1ccc(Br)cc1C[NH2+]CC1CC1 C#CC[*:1] Brc1ccc(O[*:1])c(c1)C[NH2+]CC1CC1
C#CCOc1ccc(Br)cc1C[NH2+]CC1CC1 C#CCO[*:1] Brc1ccc(c(c1)C[NH2+]CC1CC1)[*:1]
CCc1sc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1C C1CO[C@H](C1)C[*:1] CCc1sc(cc1C)C(=O)N(c1ccncc1)[*:1]
CCc1sc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1C C1CO[C@H](C1)[*:1] CCc1sc(cc1C)C(=O)N(C[*:1])c1ccncc1
CCc1sc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1C c1cc(ccn1)[*:1] CCc1sc(cc1C)C(=O)N(C[C@H]1CCCO1)[*:1]
CN/C([O-])=C(\C#N)C(=O)Cc1ccc(OC(F)F)cc1 FC(F)O[*:1] CN/C([O-])=C(\C#N)C(=O)Cc1ccc(cc1)[*:1]
CN/C([O-])=C(\C#N)C(=O)Cc1ccc(OC(F)F)cc1 FC(F)[*:1] CN/C([O-])=C(\C#N)C(=O)Cc1ccc(cc1)O[*:1]
CN(CC(C)(CO)CO)c1nc(-c2cc(Cl)cc(Cl)c2)no1 CC(CO)(CO)[*:1] CN(C[*:1])c1nc(no1)-c1cc(Cl)cc(Cl)c1
CN(CC(C)(CO)CO)c1nc(-c2cc(Cl)cc(Cl)c2)no1 CC(CO)(CO)C[*:1] CN(c1nc(no1)-c1cc(Cl)cc(Cl)c1)[*:1]
O=C(NNC(=O)C1CC1)c1cc(F)ccc1Br C1CC1[*:1] O=C(NNC(=O)[*:1])c1cc(F)ccc1Br
C[C@@H]1Cc2nc(SCC(=O)c3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2S1 O=C(c1ccc(Cl)cc1)[*:1] C[C@@H]1Cc2nc(SC[*:1])n(-c3ccccc3)c(=O)c2S1
C[C@@H]1Cc2nc(SCC(=O)c3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2S1 c1ccc(cc1)[*:1] C[C@@H]1Cc2nc(SCC(=O)c3ccc(Cl)cc3)n(c(=O)c2S1)[*:1]
C[C@@H]1Cc2nc(SCC(=O)c3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2S1 Clc1ccc(cc1)[*:1] C[C@@H]1Cc2nc(SCC(=O)[*:1])n(-c3ccccc3)c(=O)c2S1
COc1cccc(CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)c1OC CC(=O)[*:1] COc1cccc(CN(C)S(=O)(=O)c2ccc(cc2)[*:1])c1OC
CS(=O)(=O)C[C@H](NC(=O)NCCC(F)(F)F)c1ccccc1 CS(=O)(=O)C[*:1] O=C(NCCC(F)(F)F)N[C@H](c1ccccc1)[*:1]
CS(=O)(=O)C[C@H](NC(=O)NCCC(F)(F)F)c1ccccc1 FC(F)(F)CC[*:1] CS(=O)(=O)C[C@H](NC(=O)N[*:1])c1ccccc1
CS(=O)(=O)C[C@H](NC(=O)NCCC(F)(F)F)c1ccccc1 CS(=O)(=O)[*:1] O=C(NCCC(F)(F)F)N[C@@H](C[*:1])c1ccccc1
CS(=O)(=O)C[C@H](NC(=O)NCCC(F)(F)F)c1ccccc1 FC(F)(F)[*:1] CS(=O)(=O)C[C@H](NC(=O)NCC[*:1])c1ccccc1
CS(=O)(=O)C[C@H](NC(=O)NCCC(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)C[C@H](NC(=O)NCCC(F)(F)F)[*:1]
CS(=O)(=O)C[C@H](NC(=O)NCCC(F)(F)F)c1ccccc1 FC(F)(F)C[*:1] CS(=O)(=O)C[C@H](NC(=O)NC[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N(CC(N)=O)c2cc(C)ccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N(CC(N)=O)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(CC(N)=O)c2cc(C)ccc2C)cc1 NC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1cc(C)ccc1C
Cc1ccc(S(=O)(=O)N(CC(N)=O)c2cc(C)ccc2C)cc1 NC(=O)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1cc(C)ccc1C)[*:1]
CN(C)C(=O)CNc1ncnc2sc3c(c12)CCCC3 CN(C)C(=O)[*:1] c1nc(NC[*:1])c2c3CCCCc3sc2n1
CN(C)C(=O)CNc1ncnc2sc3c(c12)CCCC3 CN(C)C(=O)C[*:1] c1nc(N[*:1])c2c3CCCCc3sc2n1
NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)c2cccc(F)c2)c1=O NC(=O)[*:1] O=c1c(cc(cn1C[C@@H](O)c1cccc(F)c1)[N+](=O)[O-])[*:1]
NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)c2cccc(F)c2)c1=O O=[N+]([O-])[*:1] NC(=O)c1cc(cn(C[C@@H](O)c2cccc(F)c2)c1=O)[*:1]
NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)c2cccc(F)c2)c1=O Fc1cccc(c1)[*:1] NC(=O)c1cc(cn(C[C@@H](O)[*:1])c1=O)[N+](=O)[O-]
CC(C)Cc1nnc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)s1 O=C(N[*:1])c1cccs1 CC(C)Cc1nnc(NC(=O)c2ccc(cc2)[*:1])s1
CC(C)Cc1nnc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)s1 CC(C)C[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(cc1)NC(=O)c1cccs1
CC(C)Cc1nnc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)s1 c1csc(c1)[*:1] CC(C)Cc1nnc(NC(=O)c2ccc(cc2)NC(=O)[*:1])s1
CC(C)Cc1nnc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)s1 CC(C)[*:1] O=C(Nc1nnc(C[*:1])s1)c1ccc(cc1)NC(=O)c1cccs1
Cc1ccc(-c2nc(CNC(=O)C(=O)Nc3ccc(F)c(C)c3)co2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ccc1F)NC(=O)C(=O)NCc1coc(n1)[*:1]
Cc1ccc(-c2nc(CNC(=O)C(=O)Nc3ccc(F)c(C)c3)co2)cc1 Cc1cc(ccc1F)[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)C(=O)N[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCCOC(C)C)C3=O c1ccc(cc1)[*:1] Cc1cc2oc3C(=O)N(CCCOC(C)C)[C@@H](c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCCOC(C)C)C3=O CC(C)OCCC[*:1] Cc1cc2oc3C(=O)N([C@@H](c4ccccc4)c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCCOC(C)C)C3=O CC(C)OC[*:1] Cc1cc2oc3C(=O)N(CC[*:1])[C@@H](c4ccccc4)c3c(=O)c2cc1C
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCCOC(C)C)C3=O CC(C)OCC[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@@H](c4ccccc4)c3c(=O)c2cc1C
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCCOC(C)C)C3=O CC(C)[*:1] Cc1cc2oc3C(=O)N(CCCO[*:1])[C@@H](c4ccccc4)c3c(=O)c2cc1C
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCCOC(C)C)C3=O CC(C)O[*:1] Cc1cc2oc3C(=O)N(CCC[*:1])[C@@H](c4ccccc4)c3c(=O)c2cc1C
Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccn5)no4)ccn3n2)cc1C Cc1ccc(cc1C)[*:1] O=c1c2cc(nn2ccn1Cc1nc(no1)-c1ccccn1)[*:1]
Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccn5)no4)ccn3n2)cc1C c1ccc(nc1)[*:1] Cc1ccc(cc1C)-c1cc2c(=O)n(ccn2n1)Cc1nc(no1)[*:1]
C=CCC[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 CC(C)(C)[*:1] C=CCC[C@@H](C)OC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
C=CCC[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 C=CCC[C@@H](C)[*:1] CC(C)(C)C(=O)N1CCC[C@@H](C1)C(=O)O[*:1]
C=CCC[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 C=CCC[*:1] C[C@@H](OC(=O)[C@H]1CCCN(C1)C(=O)C(C)(C)C)[*:1]
C=CCC[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 C=CC[*:1] C[C@H](C[*:1])OC(=O)[C@H]1CCCN(C1)C(=O)C(C)(C)C
COc1nc(C(=O)N[C@@H](C)CN2CCOCC2)cc2ccccc12 C1CN(CCO1)C[*:1] COc1nc(cc2ccccc12)C(=O)N[C@@H](C)[*:1]
COc1nc(C(=O)N[C@@H](C)CN2CCOCC2)cc2ccccc12 C1CN(CCO1)[*:1] COc1nc(cc2ccccc12)C(=O)N[C@@H](C)C[*:1]
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1ccc(F)cc1 Fc1ccc(cc1)CO[*:1] CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[*:1]
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC[*:1]
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)c1nn(c(=O)cc1OCc1ccc(F)cc1)[*:1]
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1ccc(F)cc1 CCOC(=O)[*:1] O=c1cc(OCc2ccc(F)cc2)c(nn1-c1ccc(F)cc1)[*:1]
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1O[*:1]
Cc1cccc(CN2CC[NH+](Cc3nc(-c4cccs4)oc3C)CC2=O)c1 c1csc(c1)[*:1] Cc1cccc(c1)CN1CC[NH+](CC1=O)Cc1nc(oc1C)[*:1]
Cc1cccc(CN2CC[NH+](Cc3nc(-c4cccs4)oc3C)CC2=O)c1 Cc1cccc(c1)C[*:1] Cc1oc(nc1C[NH+]1CCN(C(=O)C1)[*:1])-c1cccs1
Cc1cccc(CN2CC[NH+](Cc3nc(-c4cccs4)oc3C)CC2=O)c1 Cc1cccc(c1)[*:1] Cc1oc(nc1C[NH+]1CCN(C[*:1])C(=O)C1)-c1cccs1
Cc1cc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)ccc1F NS(=O)(=O)N[*:1] Cc1cc(ccc1F)C(=O)Nc1cccc(c1)[*:1]
O=C(NCCc1ccccc1F)C(=O)Nc1cccnc1Cl Fc1ccccc1[*:1] O=C(NCC[*:1])C(=O)Nc1cccnc1Cl
O=C(NCCc1ccccc1F)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(NCCc1ccccc1F)C(=O)N[*:1]
C[C@@H](O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 C[C@@H](O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cnn2c1N[C@H](C[C@@H]2C(F)(F)F)c1ccco1
C[C@@H](O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 c1coc(c1)[*:1] C[C@@H](O)c1ccc(cc1)NC(=O)c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)[*:1]
C[C@@H](O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 C[C@@H](O)c1ccc(cc1)[*:1] O=C(N[*:1])c1cnn2c1N[C@H](C[C@@H]2C(F)(F)F)c1ccco1
C[C@@H](O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](O)c1ccc(cc1)NC(=O)c1cnn2c1N[C@H](C[C@H]2[*:1])c1ccco1
C[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 C1CC1[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
C[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 O=S(=O)(NC1CC1)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(N2C(=O)[C@@H](C)[C@H](Cc3ccc(C)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)C[C@@H]1C(=O)N(C(=O)[C@H]1C)[*:1]
COc1ccc(N2C(=O)[C@@H](C)[C@H](Cc3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)[C@@H](C)[C@H](C[*:1])C1=O
COc1ccc(N2C(=O)[C@@H](C)[C@H](Cc3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)N1C(=O)[C@@H](C)[C@H](C1=O)[*:1]
CCOc1ccccc1[C@@H](CC)NC(=O)NCC(C)C CC(C)C[*:1] CCOc1ccccc1[C@@H](CC)NC(=O)N[*:1]
CCOc1ccccc1[C@@H](CC)NC(=O)NCC(C)C CCO[*:1] CC[C@@H](NC(=O)NCC(C)C)c1ccccc1[*:1]
CCOc1ccccc1[C@@H](CC)NC(=O)NCC(C)C CC(C)[*:1] CCOc1ccccc1[C@@H](CC)NC(=O)NC[*:1]
C[C@H](CNC(=O)C(=O)Nc1c(F)cccc1F)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)C(=O)Nc1c(F)cccc1F)O[*:1]
C[C@H](CNC(=O)C(=O)Nc1c(F)cccc1F)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C[C@H](CNC(=O)C(=O)Nc1c(F)cccc1F)[*:1]
C[C@H](CNC(=O)C(=O)Nc1c(F)cccc1F)Oc1ccc(F)cc1 Fc1cccc(F)c1[*:1] C[C@H](CNC(=O)C(=O)N[*:1])Oc1ccc(F)cc1
CCC(=O)N1CCS[C@]12C(=O)N(Cc1cccc(F)c1)c1ccc(OC)cc12 Fc1cccc(c1)C[*:1] CCC(=O)N1CCS[C@]12C(=O)N(c1ccc(cc12)OC)[*:1]
CCC(=O)N1CCS[C@]12C(=O)N(Cc1cccc(F)c1)c1ccc(OC)cc12 Fc1cccc(c1)[*:1] CCC(=O)N1CCS[C@]12C(=O)N(C[*:1])c1ccc(cc12)OC
CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cnc[nH]1 c1ncc([nH]1)[*:1] CN1C(=O)c2ccc(Cl)cc2N[C@@H]1[*:1]
C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccs1 c1csc(c1)[*:1] C[C@H]([NH2+]CC(=O)NCC(F)(F)F)[*:1]
C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccs1 FC(F)(F)[*:1] C[C@H]([NH2+]CC(=O)NC[*:1])c1cccs1
C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccs1 FC(F)(F)C[*:1] C[C@H]([NH2+]CC(=O)N[*:1])c1cccs1
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C CC(C)C[*:1] Cc1cc(ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)N[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C CC(C)CNC(=O)[*:1] Cc1cc(ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C CC(C)[*:1] Cc1cc(ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)NC[*:1]
CCN1CCOc2ccc(NC(=O)COc3cccc(OC)c3)cc2C1=O COc1cccc(c1)O[*:1] CCN1CCOc2ccc(cc2C1=O)NC(=O)C[*:1]
CCN1CCOc2ccc(NC(=O)COc3cccc(OC)c3)cc2C1=O COc1cccc(c1)[*:1] CCN1CCOc2ccc(cc2C1=O)NC(=O)CO[*:1]
CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)[*:1]
CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1 CC(C)[*:1] CN(Cc1ccccc1)C(=O)[C@@H](NS(=O)(=O)c1cccs1)[*:1]
CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1 c1csc(c1)[*:1] CC(C)[C@H](NS(=O)(=O)[*:1])C(=O)N(C)Cc1ccccc1
CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)C[*:1]
CN(CCNC(=O)c1cnc(-c2ccncc2)nc1)S(C)(=O)=O c1cc(ccn1)[*:1] CN(CCNC(=O)c1cnc(nc1)[*:1])S(C)(=O)=O
CN(CCNC(=O)c1cnc(-c2ccncc2)nc1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(NCC[*:1])c1cnc(nc1)-c1ccncc1
CN(CCNC(=O)c1cnc(-c2ccncc2)nc1)S(C)(=O)=O CN(C[*:1])S(C)(=O)=O O=C(NC[*:1])c1cnc(nc1)-c1ccncc1
CC[C@H](C)C(=O)NCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 CC[C@H](C)C(=O)N[*:1] O=C(C[*:1])Nc1n[nH]c2ccc(cc12)[N+](=O)[O-]
CC[C@H](C)C(=O)NCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 CC[C@H](C)[*:1] O=C(CNC(=O)[*:1])Nc1n[nH]c2ccc(cc12)[N+](=O)[O-]
CC[C@H](C)C(=O)NCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] CC[C@H](C)C(=O)NCC(=O)Nc1n[nH]c2ccc(cc12)[*:1]
CC(=O)N[C@H](C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)C(C)C CC(=O)N[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)[C@H](C(C)C)[*:1]
CC(=O)N[C@H](C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)C(C)C CN(C)C(=O)[*:1] CC(=O)N[C@H](C(=O)Nc1ccc(c(C)c1)[*:1])C(C)C
CC(=O)N[C@H](C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)[*:1]
COc1ccccc1/C(C)=C/C(=O)N(CCC#N)C(C)C N#CCC[*:1] COc1ccccc1/C(C)=C/C(=O)N(C(C)C)[*:1]
COc1ccccc1/C(C)=C/C(=O)N(CCC#N)C(C)C CC(C)[*:1] COc1ccccc1/C(C)=C/C(=O)N(CCC#N)[*:1]
COc1ccccc1/C(C)=C/C(=O)N(CCC#N)C(C)C N#CC[*:1] COc1ccccc1/C(C)=C/C(=O)N(C[*:1])C(C)C
CC(=O)c1ccc(C(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)s1 CC(=O)c1ccc(s1)[*:1] Cc1c(cnn1-c1ccccn1)[C@@H](C)NC(=O)[*:1]
CC(=O)c1ccc(C(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)s1 c1ccc(nc1)[*:1] CC(=O)c1ccc(s1)C(=O)N[C@H](C)c1cnn(c1C)[*:1]
CC(=O)c1ccc(C(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)s1 CC(=O)[*:1] Cc1c(cnn1-c1ccccn1)[C@@H](C)NC(=O)c1ccc(s1)[*:1]
C[C@@H](CO)CSCC[C@@H]1CCCC[NH2+]1 C[C@@H](CO)[*:1] C1CC[C@@H](CCSC[*:1])[NH2+]C1
Cc1cc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)no1 Cc1cc(no1)[*:1] N#Cc1cc2c(=O)n3ccccc3nc2n(c1=O)[*:1]
C[NH2+][C@H](c1ccc(C)cc1)c1cccc(C(F)(F)F)c1F Cc1ccc(cc1)[*:1] C[NH2+][C@H](c1cccc(c1F)C(F)(F)F)[*:1]
C[NH2+][C@H](c1ccc(C)cc1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] C[NH2+][C@H](c1ccc(C)cc1)c1cccc(c1F)[*:1]
COc1ccc(C[C@H](C)CNC(=O)Cc2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] COc1ccc(cc1)C[C@H](C)CNC(=O)C[*:1]
C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)c1nc(cs1)[*:1]
C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)c1nc(-c2ccncc2)cs1 c1ccc(cc1)[*:1] C[C@H](N[C@@H](C)[C@@H](C)[*:1])c1nc(cs1)-c1ccncc1
C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)c1nc(-c2ccncc2)cs1 C[C@@H](c1ccccc1)[*:1] C[C@H](N[C@@H](C)[*:1])c1nc(cs1)-c1ccncc1
COc1ccc(OCc2nc(C(=O)NC(C)C)co2)cc1 CC(C)NC(=O)[*:1] COc1ccc(cc1)OCc1nc(co1)[*:1]
COc1ccc(OCc2nc(C(=O)NC(C)C)co2)cc1 CC(C)[*:1] COc1ccc(cc1)OCc1nc(co1)C(=O)N[*:1]
O=C(NCc1ccco1)NC[C@@H](C(=O)N1CCOCC1)c1ccccc1 c1coc(c1)[*:1] O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)NC[*:1]
O=C(NCc1ccco1)NC[C@@H](C(=O)N1CCOCC1)c1ccccc1 O=C(N1CCOCC1)[*:1] O=C(NCc1ccco1)NC[C@@H](c1ccccc1)[*:1]
O=C(NCc1ccco1)NC[C@@H](C(=O)N1CCOCC1)c1ccccc1 c1coc(c1)C[*:1] O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)N[*:1]
O=C(NCc1ccco1)NC[C@@H](C(=O)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccco1)NC[C@@H](C(=O)N1CCOCC1)[*:1]
CCOc1ccc(C(=O)NNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)[*:1]
CCOc1ccc(C(=O)NNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 CCO[*:1] O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)c1ccc(cc1)[*:1]
Cc1ccc(Nc2ncnc(N3CCCC[C@H]3C)c2N)cc1Cl C[C@@H]1CCCCN1[*:1] Cc1ccc(cc1Cl)Nc1ncnc(c1N)[*:1]
O=C(Cn1cnc2ccccc2c1=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 O=C(NCc1ccccc1)[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1sc2CCCCc2c1[*:1]
O=C(Cn1cnc2ccccc2c1=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 c1ccc(cc1)[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1sc2CCCCc2c1C(=O)NC[*:1]
O=C(Cn1cnc2ccccc2c1=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 O=c1c2ccccc2ncn1[*:1] O=C(C[*:1])Nc1sc2CCCCc2c1C(=O)NCc1ccccc1
O=C(Cn1cnc2ccccc2c1=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 c1ccc(cc1)C[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1sc2CCCCc2c1C(=O)N[*:1]
CC[C@@](O)(C(=O)OC)[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O COC(=O)[*:1] CC[C@@](O)([C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[*:1]
CC(C)(C)[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@@H](NCc1cc(=O)n2nccc2[nH]1)[*:1]
CC(C)(C)[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1cccs1 CC(C)(C)[*:1] O=c1cc(CN[C@@H](c2cccs2)[*:1])[nH]c2ccnn12
CC(C)(C)CC(C)(C)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O CC(C)(C)CC(C)(C)[*:1] O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N[*:1]
CC(C)(C)CC(C)(C)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O CC(C)(C)[*:1] CC(C)(C[*:1])NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O
CC(C)(C)CC(C)(C)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O CC(C)(C)C[*:1] CC(C)(NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[*:1]
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1nnc(C2CC2)s1 C1CC1[*:1] C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1nnc(s1)[*:1]
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1nnc(C2CC2)s1 Clc1ccc(cc1)[*:1] C[C@@H](C[*:1])N(C)C(=O)Nc1nnc(s1)C1CC1
C/C=C(/C)C(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1 CC=C(C)[*:1] O=C(N[C@H](CO)c1cc(F)c(F)c(F)c1)[*:1]
COCC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=NCCc3ccc(C)cc32)C1 COC[*:1] Cc1ccc2CCN=C(C[C@H]3CN(CC[C@H]3CC(=O)[O-])C(=O)[*:1])c2c1
COCC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=NCCc3ccc(C)cc32)C1 O=C([O-])C[*:1] COCC(=O)N1CC[C@@H]([C@@H](CC2=NCCc3ccc(C)cc32)C1)[*:1]
COCC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=NCCc3ccc(C)cc32)C1 O=C([O-])[*:1] COCC(=O)N1CC[C@@H](C[*:1])[C@@H](CC2=NCCc3ccc(C)cc32)C1
CCCOC(=O)CCc1cccnc1 CCC[*:1] O=C(CCc1cccnc1)O[*:1]
CCN1CCO[C@@H](c2nc(N)cc(COC)n2)C1 COC[*:1] CCN1CCO[C@H](C1)c1nc(N)cc(n1)[*:1]
COc1cc(C)c(CNC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)cc1C(C)C CC(C)[*:1] COc1cc(C)c(cc1[*:1])CNC(=O)[C@@H]1CC(=NO1)c1cnn(C)c1
COc1cc(C)c(CNC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)cc1C(C)C Cn1cc(cn1)[*:1] COc1cc(C)c(cc1C(C)C)CNC(=O)[C@@H]1CC(=NO1)[*:1]
CCNC(=O)[C@H](C)Sc1cc(C)ccc1N CCNC(=O)[*:1] Cc1ccc(N)c(c1)S[C@@H](C)[*:1]
CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[nH]c(=O)c21 CCO[*:1] C[C@H]1CCCCN1c1nc2NC(=O)C[C@H](C(=O)Nc3ccccc3[*:1])c2c(=O)[nH]1
CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[nH]c(=O)c21 CCOc1ccccc1[*:1] C[C@H]1CCCCN1c1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
COC(=O)Cc1cccc(OC(=O)c2cnn(C(C)C)c2C)c1 COC(=O)[*:1] Cc1c(cnn1C(C)C)C(=O)Oc1cccc(c1)C[*:1]
COC(=O)Cc1cccc(OC(=O)c2cnn(C(C)C)c2C)c1 CC(C)[*:1] COC(=O)Cc1cccc(c1)OC(=O)c1cnn(c1C)[*:1]
COC(=O)Cc1cccc(OC(=O)c2cnn(C(C)C)c2C)c1 COC(=O)C[*:1] Cc1c(cnn1C(C)C)C(=O)Oc1cccc(c1)[*:1]
Cc1[nH]nc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)c1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1[nH]nc(C(=O)NC[C@@](C)(O)[*:1])c1[N+](=O)[O-]
Cc1[nH]nc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1[nH]nc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)c1[*:1]
CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(cc1)[*:1]
CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
O=C(NCC[C@H](O)c1ccccc1)c1nc(C2CC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCC[C@H](O)c1ccccc1)c1nc(C2CC2)n(n1)[*:1]
O=C(NCC[C@H](O)c1ccccc1)c1nc(C2CC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCC[C@H](O)[*:1])c1nc(C2CC2)n(n1)-c1ccccc1
O=C(NCC[C@H](O)c1ccccc1)c1nc(C2CC2)n(-c2ccccc2)n1 C1CC1[*:1] O=C(NCC[C@H](O)c1ccccc1)c1nc(n(n1)-c1ccccc1)[*:1]
O=C(NCC[C@H](O)c1ccccc1)c1nc(C2CC2)n(-c2ccccc2)n1 O[C@@H](C[*:1])c1ccccc1 O=C(NC[*:1])c1nc(C2CC2)n(n1)-c1ccccc1
O=C(NCC[C@H](O)c1ccccc1)c1nc(C2CC2)n(-c2ccccc2)n1 O[C@H](c1ccccc1)[*:1] O=C(NCC[*:1])c1nc(C2CC2)n(n1)-c1ccccc1
COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] COCc1cc(=O)c(O)c(o1)[C@H](CC(=O)OC)[*:1]
COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(F)cc2)o1 COC[*:1] COC(=O)C[C@H](c1ccc(F)cc1)c1oc(cc(=O)c1O)[*:1]
COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(F)cc2)o1 COC(=O)C[*:1] COCc1cc(=O)c(O)c(o1)[C@H](c1ccc(F)cc1)[*:1]
COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(F)cc2)o1 COC(=O)[*:1] COCc1cc(=O)c(O)c(o1)[C@H](C[*:1])c1ccc(F)cc1
CN(C)C(=O)c1ccc(N2CC[C@H]([NH3+])C2)nc1 CN(C)C(=O)[*:1] [NH3+][C@H]1CCN(C1)c1ccc(cn1)[*:1]
Cc1ncn(C[C@H](C)[NH2+]CCc2c[nH]c3ccc(F)cc23)c1C Cc1ncn(c1C)[*:1] C[C@@H](C[*:1])[NH2+]CCc1c[nH]c2ccc(F)cc12
Cc1cc(C)n(CC(=O)NNC(=O)Cc2csc(-c3cccnc3)n2)n1 Cc1cc(C)n(n1)[*:1] O=C(Cc1csc(n1)-c1cccnc1)NNC(=O)C[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)Cc2csc(-c3cccnc3)n2)n1 c1cncc(c1)[*:1] Cc1cc(C)n(CC(=O)NNC(=O)Cc2csc(n2)[*:1])n1
Cc1cc(C)n(CC(=O)NNC(=O)Cc2csc(-c3cccnc3)n2)n1 Cc1cc(C)n(C[*:1])n1 O=C(Cc1csc(n1)-c1cccnc1)NNC(=O)[*:1]
COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] COc1cccc(c1)[C@H]1NC(=O)NC(C)=C1C(=O)O[*:1]
COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)c1 COc1cccc(c1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OC[C@H]1CCCO1)[*:1]
COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] COc1cccc(c1)[C@H]1NC(=O)NC(C)=C1C(=O)OC[*:1]
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]21C CC(=O)O[*:1] CC(=O)[C@@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]21C)[*:1]
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]21C CC(=O)[*:1] CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]21C)[*:1]
CNC(=O)c1cc(NC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)ccc1F CC(C)[*:1] CNC(=O)c1cc(ccc1F)NC(=O)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CNC(=O)c1cc(NC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)ccc1F CNC(=O)[*:1] CC(C)[C@H](NC(=O)Nc1ccc(F)c(c1)[*:1])c1nc2ccccc2[nH]1
CNC(=O)c1cc(NC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)ccc1F c1ccc2[nH]c(nc2c1)[*:1] CNC(=O)c1cc(ccc1F)NC(=O)N[C@H](C(C)C)[*:1]
COc1cccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 COc1cccc(c1)[*:1] O=C(Nc1cccc(Cl)c1)c1nnc(s1)[C@H]1CCCN1C(=O)N[*:1]
COc1cccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 Clc1cccc(c1)[*:1] COc1cccc(c1)NC(=O)N1CCC[C@@H]1c1nnc(s1)C(=O)N[*:1]
COc1cccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 O=C(Nc1cccc(Cl)c1)[*:1] COc1cccc(c1)NC(=O)N1CCC[C@@H]1c1nnc(s1)[*:1]
CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)C12CCC2 CCO[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)N[C@H]1C[C@@H](C12CCC2)[*:1]
CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(N(C)C)c2)C12CCC2 CN(C)[*:1] CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(c2)[*:1])C12CCC2
CC[NH2+][C@@H](c1ccsc1)[C@@H]1CSCCS1 c1cc(cs1)[*:1] CC[NH2+][C@@H]([C@@H]1CSCCS1)[*:1]
[NH3+]CCc1nc(=O)c(-c2ccc(F)cc2)c([O-])[nH]1 [NH3+]CC[*:1] O=c1nc([nH]c([O-])c1-c1ccc(F)cc1)[*:1]
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccco1 c1coc(c1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NC[*:1]
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=c1c2ccccc2nc(SC[*:1])n1Cc1ccccc1
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccco1 c1ccc(cc1)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])NCc1ccco1
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)N[*:1]
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccco1 c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1C[*:1])NCc1ccco1
COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1OCC(=O)[O-] c1csc(c1)[*:1] COc1cccc(c1OCC(=O)[O-])[C@H]1Oc2ccccc2[C@@H]2CC(=NN21)[*:1]
COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1OCC(=O)[O-] O=C([O-])CO[*:1] COc1cccc(c1[*:1])[C@H]1Oc2ccccc2[C@@H]2CC(=NN21)c1cccs1
COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1OCC(=O)[O-] O=C([O-])C[*:1] COc1cccc(c1O[*:1])[C@H]1Oc2ccccc2[C@@H]2CC(=NN21)c1cccs1
COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1OCC(=O)[O-] O=C([O-])[*:1] COc1cccc(c1OC[*:1])[C@H]1Oc2ccccc2[C@@H]2CC(=NN21)c1cccs1
CCc1c(Cl)ncnc1N(C)[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] CCc1c(Cl)ncnc1N(C)[C@H](C)[*:1]
CCc1c(Cl)ncnc1N(C)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] CCc1c(Cl)ncnc1N(C)[C@H](C)C[*:1]
CCCC[C@H]([NH3+])Cc1ncnn1CC(C)C CC(C)[*:1] CCCC[C@H]([NH3+])Cc1ncnn1C[*:1]
CCCC[C@H]([NH3+])Cc1ncnn1CC(C)C CCC[*:1] CC(C)Cn1ncnc1C[C@@H]([NH3+])C[*:1]
CCCC[C@H]([NH3+])Cc1ncnn1CC(C)C CC(C)C[*:1] CCCC[C@H]([NH3+])Cc1ncnn1[*:1]
CCCC[C@H]([NH3+])Cc1ncnn1CC(C)C CCCC[*:1] CC(C)Cn1ncnc1C[C@@H]([NH3+])[*:1]
Cc1ccc(NC(=O)NCC2CCC(C(N)=O)CC2)cc1OCC(F)F FC(F)[*:1] Cc1ccc(cc1OC[*:1])NC(=O)NCC1CCC(CC1)C(N)=O
Cc1ccc(NC(=O)NCC2CCC(C(N)=O)CC2)cc1OCC(F)F NC(=O)[*:1] Cc1ccc(cc1OCC(F)F)NC(=O)NCC1CCC(CC1)[*:1]
Cc1ccc(NC(=O)NCC2CCC(C(N)=O)CC2)cc1OCC(F)F FC(F)C[*:1] Cc1ccc(cc1O[*:1])NC(=O)NCC1CCC(CC1)C(N)=O
Cc1ccc(NC(=O)NCC2CCC(C(N)=O)CC2)cc1OCC(F)F FC(F)CO[*:1] Cc1ccc(cc1[*:1])NC(=O)NCC1CCC(CC1)C(N)=O
O=S(=O)(NCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=S(=O)(NCCN1CCO[C@H](C1)[*:1])c1ccc(F)cc1
O=S(=O)(NCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(NCCN1CCO[C@@H](C1)c1ccccc1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 CC(C)CC[*:1] Cn1cc(cn1)N1CC[C@@H](NC(=O)N2CC[C@@H](C2)O[*:1])C1=O
CC(C)CCO[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 CC(C)CCO[*:1] Cn1cc(cn1)N1CC[C@@H](NC(=O)N2CC[C@@H](C2)[*:1])C1=O
CC(C)CCO[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 CC(C)C[*:1] Cn1cc(cn1)N1CC[C@@H](NC(=O)N2CC[C@@H](C2)OC[*:1])C1=O
CC(C)CCO[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 CC(C)[*:1] Cn1cc(cn1)N1CC[C@@H](NC(=O)N2CC[C@@H](C2)OCC[*:1])C1=O
CC(C)CCO[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1 Cn1cc(cn1)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)N[C@@H]1CCN(C1=O)[*:1]
C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1cc(F)ccc1-n1cccn1 CS(=O)(=O)C[*:1] C[C@H](N(C)C(=O)Nc1cc(F)ccc1-n1cccn1)[*:1]
C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1cc(F)ccc1-n1cccn1 CS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)C(=O)Nc1cc(F)ccc1-n1cccn1
C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1cc(F)ccc1-n1cccn1 c1cnn(c1)[*:1] C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1cc(F)ccc1[*:1]
CC(C)C[NH2+][C@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 c1ccc2CC(Cc2c1)[*:1] CC(C)C[NH2+][C@H]1CCc2c(C1)sc1ncn(c(=O)c21)[*:1]
CC(C)C[NH2+][C@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 CC(C)C[*:1] O=c1c2c3CC[C@@H](Cc3sc2ncn1C1Cc2ccccc2C1)[NH2+][*:1]
CC(C)C[NH2+][C@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 CC(C)[*:1] O=c1c2c3CC[C@@H](Cc3sc2ncn1C1Cc2ccccc2C1)[NH2+]C[*:1]
CCn1cnc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)c1 O=C([O-])[*:1] CCn1cnc(c1)S(=O)(=O)N[C@@]1(CCSC1)[*:1]
Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)Nc1nc2CC[NH+](Cc2s1)C[*:1])-c1ccccn1
Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1ccc(nc1)[*:1] Cc1nc(sc1C(=O)Nc1nc2CC[NH+](Cc3ccccc3)Cc2s1)[*:1]
Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2 c1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)Nc1nc2CC[NH+](Cc2s1)[*:1])-c1ccccn1
O=C(NCCc1n[nH]c(=S)n1C1CC1)c1scnc1C1CC1 C1CC1[*:1] O=C(NCCc1n[nH]c(=S)n1[*:1])c1scnc1C1CC1
O=C(NCCc1n[nH]c(=S)n1C1CC1)c1scnc1C1CC1 C1CC1[*:1] O=C(NCCc1n[nH]c(=S)n1C1CC1)c1scnc1[*:1]
Cn1ccc([C@@H]2CCCCCN2S(=O)(=O)N2CCCC2)n1 Cn1ccc(n1)[*:1] O=S(=O)(N1CCCC1)N1CCCCC[C@H]1[*:1]
Cc1c(NC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)CSCc2nc3sc4CCCc4c3c(=O)[nH]2)c(=O)n(n1C)[*:1]
O=C(NC[C@H]1Cc2ccccc2O1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(NC[C@H]1Cc2ccccc2O1)N1CCC(CC1)[*:1]
O=C(NC[C@H]1Cc2ccccc2O1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NC[C@H]1Cc2ccccc2O1)N1CCC(CC1)C[*:1]
COC(=O)C1=C[C@@H](S(=O)(=O)NC[C@H]2CCCO2)C=N1 COC(=O)[*:1] O=S(=O)(NC[C@H]1CCCO1)[C@H]1C=NC(=C1)[*:1]
COC(=O)C1=C[C@@H](S(=O)(=O)NC[C@H]2CCCO2)C=N1 C1CO[C@H](C1)C[*:1] COC(=O)C1=C[C@H](C=N1)S(=O)(=O)N[*:1]
COC(=O)C1=C[C@@H](S(=O)(=O)NC[C@H]2CCCO2)C=N1 C1CO[C@H](C1)[*:1] COC(=O)C1=C[C@H](C=N1)S(=O)(=O)NC[*:1]
Cc1cccc2[nH+]c(CNC(=O)N(C)C3CCCCCC3)cn12 C1CCCC(CC1)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N(C)[*:1]
Cc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3cnccn3)no2)c1 Cc1ccc(C)c(c1)[*:1] CN(Cc1cnccn1)C(=O)c1cc(CO[*:1])on1
Cc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3cnccn3)no2)c1 c1cnc(cn1)[*:1] Cc1ccc(C)c(c1)OCc1cc(no1)C(=O)N(C)C[*:1]
Cc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3cnccn3)no2)c1 c1cnc(cn1)C[*:1] Cc1ccc(C)c(c1)OCc1cc(no1)C(=O)N(C)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)Nc1cnn(-c2ncccn2)c1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)Nc1cnn(c1)-c1ncccn1
CC[C@H](Cc1ccccc1)NC(=O)Nc1cnn(-c2ncccn2)c1 c1ccc(cc1)C[*:1] CC[C@H](NC(=O)Nc1cnn(c1)-c1ncccn1)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] CC[C@H](Cc1ccccc1)NC(=O)Nc1cnn(c1)[*:1]
C/C(=C/C(=O)NCCC(=O)NC(C)C)c1cccc(C(F)(F)F)c1 CC(C)[*:1] C/C(=C/C(=O)NCCC(=O)N[*:1])c1cccc(c1)C(F)(F)F
C/C(=C/C(=O)NCCC(=O)NC(C)C)c1cccc(C(F)(F)F)c1 CC(C)NC(=O)CC[*:1] C/C(=C/C(=O)N[*:1])c1cccc(c1)C(F)(F)F
C/C(=C/C(=O)NCCC(=O)NC(C)C)c1cccc(C(F)(F)F)c1 CC(C)NC(=O)C[*:1] C/C(=C/C(=O)NC[*:1])c1cccc(c1)C(F)(F)F
C/C(=C/C(=O)NCCC(=O)NC(C)C)c1cccc(C(F)(F)F)c1 CC(C)NC(=O)[*:1] C/C(=C/C(=O)NCC[*:1])c1cccc(c1)C(F)(F)F
C/C(=C/C(=O)NCCC(=O)NC(C)C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C/C(=C/C(=O)NCCC(=O)NC(C)C)c1cccc(c1)[*:1]
Cc1nnc(CS(=O)(=O)CC(=O)N[C@H]2CCCC[C@@H]2C)n1C1CC1 C[C@H]1CCCC[C@@H]1[*:1] Cc1nnc(CS(=O)(=O)CC(=O)N[*:1])n1C1CC1
Cc1nnc(CS(=O)(=O)CC(=O)N[C@H]2CCCC[C@@H]2C)n1C1CC1 C1CC1[*:1] Cc1nnc(CS(=O)(=O)CC(=O)N[C@H]2CCCC[C@@H]2C)n1[*:1]
COc1ccc(C[NH+]2CCc3ccc(F)cc3C2)cc1OCCCC#N N#CC[*:1] COc1ccc(cc1OCC[*:1])C[NH+]1CCc2ccc(F)cc2C1
COc1ccc(C[NH+]2CCc3ccc(F)cc3C2)cc1OCCCC#N N#CCCCO[*:1] COc1ccc(cc1[*:1])C[NH+]1CCc2ccc(F)cc2C1
COc1ccc(C[NH+]2CCc3ccc(F)cc3C2)cc1OCCCC#N N#CCCC[*:1] COc1ccc(cc1O[*:1])C[NH+]1CCc2ccc(F)cc2C1
COc1ccc(C[NH+]2CCc3ccc(F)cc3C2)cc1OCCCC#N N#CCC[*:1] COc1ccc(cc1OC[*:1])C[NH+]1CCc2ccc(F)cc2C1
CCN1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O C1CCC(CC1)C[*:1] CCN1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
CCN1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O C1CCC(CC1)CC[*:1] CCN1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
CCN1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O C1CCC(CC1)[*:1] CCN1C[C@@H](CC1=O)c1nc2ccccc2n1CC[*:1]
O=C([C@@H](c1ccccc1F)C1CC1)[C@@H](c1ccccc1F)C1CC1 C1CC1[*:1] O=C([C@@H](c1ccccc1F)C1CC1)[C@@H](c1ccccc1F)[*:1]
O=C([C@@H](c1ccccc1F)C1CC1)[C@@H](c1ccccc1F)C1CC1 Fc1ccccc1[*:1] O=C([C@@H](c1ccccc1F)C1CC1)[C@@H](C1CC1)[*:1]
CC(C)(CNC(=O)C(=O)Nc1cccc(F)c1)c1ccc(F)cc1Cl Fc1cccc(c1)[*:1] CC(C)(CNC(=O)C(=O)N[*:1])c1ccc(F)cc1Cl
CC(C)(CNC(=O)C(=O)Nc1cccc(F)c1)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] CC(C)(CNC(=O)C(=O)Nc1cccc(F)c1)[*:1]
C=CCOc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1 C=CC[*:1] C[C@@H]1C[C@@H]1NC(=O)c1ccc(cc1)O[*:1]
C=CCOc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1 C=CCO[*:1] C[C@@H]1C[C@@H]1NC(=O)c1ccc(cc1)[*:1]
CC(C)(NCN1CCSC1=O)c1ccc(Cl)cc1 O=C1SCCN1[*:1] CC(C)(NC[*:1])c1ccc(Cl)cc1
CC(C)[C@H](C(=O)NCc1ccccn1)c1ccc(Cl)cc1 c1ccc(C[*:1])nc1 CC(C)[C@H](C(=O)N[*:1])c1ccc(Cl)cc1
CC(C)[C@H](C(=O)NCc1ccccn1)c1ccc(Cl)cc1 c1ccc(nc1)[*:1] CC(C)[C@H](C(=O)NC[*:1])c1ccc(Cl)cc1
CC(C)[C@H](C(=O)NCc1ccccn1)c1ccc(Cl)cc1 CC(C)[*:1] O=C(NCc1ccccn1)[C@H](c1ccc(Cl)cc1)[*:1]
CC(C)[C@H](C(=O)NCc1ccccn1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)[C@H](C(=O)NCc1ccccn1)[*:1]
CC(=O)N1Cc2ccccc2OC2(CCC([NH+](C)Cc3ccc(C)s3)CC2)C1 Cc1ccc(s1)[*:1] CC(=O)N1Cc2ccccc2OC2(CCC(CC2)[NH+](C)C[*:1])C1
CC(=O)N1Cc2ccccc2OC2(CCC([NH+](C)Cc3ccc(C)s3)CC2)C1 Cc1ccc(C[*:1])s1 CC(=O)N1Cc2ccccc2OC2(CCC(CC2)[NH+](C)[*:1])C1
CCSc1cncc(Sc2nnc(-c3cc4ccccc4o3)o2)n1 CCS[*:1] c1ccc2oc(cc2c1)-c1nnc(o1)Sc1cncc(n1)[*:1]
O=C(Nc1ccc(F)c(F)c1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1ccc(F)c(F)c1)N[C@@H]1CCC[C@H](C1)[*:1]
C[C@@H]1CN(S(=O)(=O)Nc2ccccc2-c2nncn2C)C[C@@H](C)O1 Cn1cnnc1[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)Nc1ccccc1[*:1]
CCC[NH2+][C@@H](c1cncnc1)[C@@](C)(CC)N1CCOCC1 CCC[*:1] CC[C@](C)([C@@H]([NH2+][*:1])c1cncnc1)N1CCOCC1
CCC[NH2+][C@@H](c1cncnc1)[C@@](C)(CC)N1CCOCC1 c1ncc(cn1)[*:1] CCC[NH2+][C@@H]([C@@](C)(CC)N1CCOCC1)[*:1]
CCC[NH2+][C@@H](c1cncnc1)[C@@](C)(CC)N1CCOCC1 C1CN(CCO1)[*:1] CCC[NH2+][C@@H](c1cncnc1)[C@@](C)(CC)[*:1]
CCOc1cc2c(c3c1C[C@H](C)[C@H]3[NH2+]C)O[C@H](C)C2 CCO[*:1] C[NH2+][C@H]1c2c(C[C@@H]1C)c(cc1C[C@@H](C)Oc12)[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccc(F)nc2)cc1 Fc1ccc(cn1)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)NC(=O)[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H](C)[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] CCN(CC)C(=O)CN1CCN(CC1)C(=O)N[C@@H](C)[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H](C)[C@H]2CCCO2)CC1 CCN(CC)C(=O)C[*:1] C[C@H](NC(=O)N1CCN(CC1)[*:1])[C@H]1CCCO1
CCN(CC)C(=O)CN1CCN(C(=O)N[C@@H](C)[C@H]2CCCO2)CC1 CCN(CC)C(=O)[*:1] C[C@H](NC(=O)N1CCN(CC1)C[*:1])[C@H]1CCCO1
CC(=O)c1ccc(OCc2nnc(-c3ccc(C)cc3)o2)cc1 Cc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)OCc1nnc(o1)[*:1]
CC(=O)c1ccc(OCc2nnc(-c3ccc(C)cc3)o2)cc1 CC(=O)[*:1] Cc1ccc(cc1)-c1nnc(COc2ccc(cc2)[*:1])o1
CN1CCO[C@@H](CN2C(=O)c3cc(N)ccc3S2(=O)=O)C1 CN1CCO[C@@H](C1)[*:1] Nc1ccc2c(c1)C(=O)N(C[*:1])S2(=O)=O
CC[C@@H](CSC)NC(=O)NCc1ccccc1Br CSC[*:1] CC[C@@H](NC(=O)NCc1ccccc1Br)[*:1]
CCOc1ccccc1[C@H]1C[NH+]=C(N)N1C1CC1 C1CC1[*:1] CCOc1ccccc1[C@H]1C[NH+]=C(N)N1[*:1]
CCOc1ccccc1[C@H]1C[NH+]=C(N)N1C1CC1 CCO[*:1] NC1=[NH+]C[C@H](c2ccccc2[*:1])N1C1CC1
CC(C)c1cc(C(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)on1 Clc1ccc(cc1)[*:1] CC(C)c1cc(on1)C(=O)N1CCC[C@H](C1)[*:1]
CC(C)c1cc(C(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)on1 CC(C)[*:1] O=C(c1cc(no1)[*:1])N1CCC[C@@H](C1)c1ccc(Cl)cc1
Cc1ccsc1/C=N/N1C(=S)N=N[C@@H]1c1ccco1 c1coc(c1)[*:1] Cc1ccsc1/C=N/N1C(=S)N=N[C@H]1[*:1]
Cc1ccsc1/C=N/N1C(=S)N=N[C@@H]1c1ccco1 Cc1ccsc1[*:1] S=C1N=N[C@H](c2ccco2)N1N=C[*:1]
COC(=O)[C@@H](CNC(=O)c1sccc1C#N)Oc1ccc(F)cc1 COC(=O)[*:1] N#Cc1ccsc1C(=O)NC[C@@H](Oc1ccc(F)cc1)[*:1]
COC(=O)[C@@H](CNC(=O)c1sccc1C#N)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] COC(=O)[C@@H](CNC(=O)c1sccc1C#N)[*:1]
COC(=O)[C@@H](CNC(=O)c1sccc1C#N)Oc1ccc(F)cc1 N#Cc1ccsc1[*:1] COC(=O)[C@@H](CNC(=O)[*:1])Oc1ccc(F)cc1
COC(=O)[C@@H](CNC(=O)c1sccc1C#N)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H](CNC(=O)c1sccc1C#N)O[*:1]
CCOc1ccc([C@H]2NC(=O)C3=NN=C(c4ccc(OC)cc4)[C@@H]32)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1NC(=O)C2=NN=C([C@@H]21)[*:1]
CCOc1ccc([C@H]2NC(=O)C3=NN=C(c4ccc(OC)cc4)[C@@H]32)cc1 CCO[*:1] COc1ccc(cc1)C1=NN=C2C(=O)N[C@H](c3ccc(cc3)[*:1])[C@H]21
NC(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3Cl)n2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(Cc1csc(n1)SCc1ccc(Cl)cc1Cl)N[*:1]
NC(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3Cl)n2)cc1 Clc1ccc(C[*:1])c(Cl)c1 NC(=O)c1ccc(cc1)NC(=O)Cc1csc(n1)S[*:1]
NC(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3Cl)n2)cc1 NC(=O)[*:1] O=C(Cc1csc(n1)SCc1ccc(Cl)cc1Cl)Nc1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3Cl)n2)cc1 Clc1ccc(c(Cl)c1)[*:1] NC(=O)c1ccc(cc1)NC(=O)Cc1csc(n1)SC[*:1]
Cc1ccc([C@H](C)N(C)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)Nc1cnn(c1)C[C@H]1CCCO1)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 C1CO[C@H](C1)C[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)Nc1cnn(c1)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)Nc1cnn(c1)C[*:1]
C=CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N\c1ccc(O)cc1C(=O)[O-] O=[N+]([O-])[*:1] C=CCN1C(=O)/C(=C/c2ccccc2[*:1])S/C1=N\c1ccc(O)cc1C(=O)[O-]
C=CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N\c1ccc(O)cc1C(=O)[O-] O=[N+]([O-])c1ccccc1[*:1] C=CCN1C(=O)C(=C[*:1])S/C1=N\c1ccc(O)cc1C(=O)[O-]
C=CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N\c1ccc(O)cc1C(=O)[O-] O=C([O-])[*:1] C=CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N\c1ccc(O)cc1[*:1]
C=CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N\c1ccc(O)cc1C(=O)[O-] C=CC[*:1] O=C([O-])c1cc(O)ccc1/N=C1\S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(N2CCOCC2)CCSC1 C1CN(CCO1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(CCSC1)[*:1]
Cc1cccc(C2=CCN(C(=O)CCc3nc(C)no3)CC2)c1 Cc1noc(n1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)CC[*:1]
Cc1cccc(C2=CCN(C(=O)CCc3nc(C)no3)CC2)c1 Cc1cccc(c1)[*:1] Cc1noc(CCC(=O)N2CC=C(CC2)[*:1])n1
Cc1cccc(C2=CCN(C(=O)CCc3nc(C)no3)CC2)c1 Cc1noc(C[*:1])n1 Cc1cccc(c1)C1=CCN(CC1)C(=O)C[*:1]
CN(Cc1noc(C2CCC2)n1)C(=O)Cn1cccc(C(F)(F)F)c1=O FC(F)(F)[*:1] CN(Cc1noc(n1)C1CCC1)C(=O)Cn1cccc(c1=O)[*:1]
CN(Cc1noc(C2CCC2)n1)C(=O)Cn1cccc(C(F)(F)F)c1=O C1CC(C1)[*:1] CN(Cc1noc(n1)[*:1])C(=O)Cn1cccc(c1=O)C(F)(F)F
CCc1ccc(NC(=O)NCc2cccc(OCC(=O)N(C)C)c2)cc1 CN(C)C(=O)C[*:1] CCc1ccc(cc1)NC(=O)NCc1cccc(c1)O[*:1]
CCc1ccc(NC(=O)NCc2cccc(OCC(=O)N(C)C)c2)cc1 CN(C)C(=O)[*:1] CCc1ccc(cc1)NC(=O)NCc1cccc(c1)OC[*:1]
CCc1ccc(NC(=O)NCc2cccc(OCC(=O)N(C)C)c2)cc1 CCc1ccc(cc1)[*:1] CN(C)C(=O)COc1cccc(c1)CNC(=O)N[*:1]
CCc1ccc(NC(=O)NCc2cccc(OCC(=O)N(C)C)c2)cc1 CN(C)C(=O)CO[*:1] CCc1ccc(cc1)NC(=O)NCc1cccc(c1)[*:1]
C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 C1CN(CCO1)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)N1CCC[C@@H]1C[*:1]
C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 C[C@@H]1CCC[C@H](C1)[*:1] O=C(N[*:1])N1CCC[C@@H]1CN1CCOCC1
C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 C1CN(CCO1)C[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)N1CCC[C@H]1[*:1]
O=C([O-])c1cc(-c2cccc(OC(F)(F)F)c2)cnc1Cl FC(F)(F)O[*:1] O=C([O-])c1cc(cnc1Cl)-c1cccc(c1)[*:1]
O=C([O-])c1cc(-c2cccc(OC(F)(F)F)c2)cnc1Cl O=C([O-])[*:1] FC(F)(F)Oc1cccc(c1)-c1cnc(Cl)c(c1)[*:1]
O=C([O-])c1cc(-c2cccc(OC(F)(F)F)c2)cnc1Cl FC(F)(F)[*:1] O=C([O-])c1cc(cnc1Cl)-c1cccc(c1)O[*:1]
COc1cccc(CNC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])c1ccc(Cl)cc1N1CCCC1=O
COc1cccc(CNC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1 O=C1CCCN1[*:1] COc1cccc(c1)CNC(=O)c1ccc(Cl)cc1[*:1]
CC(=O)Nc1cccc2c1CCN(C(=O)c1cnc3ccc(C)cn13)C2 CC(=O)N[*:1] Cc1ccc2ncc(C(=O)N3CCc4c(cccc4[*:1])C3)n2c1
COc1ccc(Br)c(C[NH+](C)CCCNC(C)=O)c1 CC(=O)NCC[*:1] COc1ccc(Br)c(c1)C[NH+](C)C[*:1]
COc1ccc(Br)c(C[NH+](C)CCCNC(C)=O)c1 CC(=O)NC[*:1] COc1ccc(Br)c(c1)C[NH+](C)CC[*:1]
COc1ccc(Br)c(C[NH+](C)CCCNC(C)=O)c1 CC(=O)N[*:1] COc1ccc(Br)c(c1)C[NH+](C)CCC[*:1]
CCOc1ccc(N[C@@H](C)c2nc(C)sc2C)cn1 CCO[*:1] Cc1nc(c(C)s1)[C@H](C)Nc1ccc(nc1)[*:1]
O=C1CC[C@@H](c2ccccc2)C[C@@H]1CC1(O)CCCC1 c1ccc(cc1)[*:1] O=C1CC[C@@H](C[C@@H]1CC1(O)CCCC1)[*:1]
O=C1CC[C@@H](c2ccccc2)C[C@@H]1CC1(O)CCCC1 OC1(CCCC1)[*:1] O=C1CC[C@H](C[C@@H]1C[*:1])c1ccccc1
O=C(C[NH+]1CCN(C(=O)c2cccc3cccnc23)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)c1cccc2cccnc12)N[*:1]
C[C@H]1CCc2ccccc2N1C(=O)COc1ccc(-c2nnco2)cc1 c1nnc(o1)[*:1] C[C@H]1CCc2ccccc2N1C(=O)COc1ccc(cc1)[*:1]
COC(=O)c1ccc(/C=N/Nc2nc(C)cc(C)n2)cc1 COC(=O)[*:1] Cc1cc(C)nc(n1)N/N=C/c1ccc(cc1)[*:1]
COc1ccc(CCNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)CCNC(=O)c1cc(nc2c1c(C)nn2C)[*:1]
N#Cc1c(-c2ccco2)ccn(Cc2ccc(F)cc2)c1=O c1coc(c1)[*:1] N#Cc1c(ccn(Cc2ccc(F)cc2)c1=O)[*:1]
N#Cc1c(-c2ccco2)ccn(Cc2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] N#Cc1c(ccn(C[*:1])c1=O)-c1ccco1
CCCn1c(C)nnc1SCC(=O)NC(=O)NCC CCC[*:1] CCNC(=O)NC(=O)CSc1nnc(C)n1[*:1]
Cc1cc2occ(CC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c2cc1Cl Clc1ccc(c(Cl)c1)[*:1] Cc1cc2occ(CC(=O)NNC(=O)CO[*:1])c2cc1Cl
Cc1cc2occ(CC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c2cc1Cl Clc1ccc(O[*:1])c(Cl)c1 Cc1cc2occ(CC(=O)NNC(=O)C[*:1])c2cc1Cl
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(OC(C)C)c(Cl)c1 Cc1n[nH]c(C)c1[*:1] CC(C)Oc1ccc(cc1Cl)NC(=O)N1CCC[C@H]1[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(OC(C)C)c(Cl)c1 CC(C)O[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(OC(C)C)c(Cl)c1 CC(C)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(O[*:1])c(Cl)c1
CCCc1cc(NC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)n(C)n1 C1CCN(C1)[*:1] CCCc1cc(NC(=O)N[C@H](C)c2cccc(c2)[*:1])n(C)n1
CCCc1cc(NC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)n(C)n1 CCC[*:1] C[C@@H](NC(=O)Nc1cc(nn1C)[*:1])c1cccc(c1)N1CCCC1
CC(=O)Nc1ccc(C)cc1NCc1cc(=O)oc2c(C)c(C)ccc12 CC(=O)N[*:1] Cc1ccc(c(c1)NCc1cc(=O)oc2c(C)c(C)ccc12)[*:1]
CC1(C)CN(C(=O)c2ccc(-n3ccnn3)cc2)CC[S@@]1=O c1cn(nn1)[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)c1ccc(cc1)[*:1]
O=C(CCCC1=c2ccccc2=[NH+]C1)NCc1cccnc1-n1cncn1 c1ncn(n1)[*:1] O=C(CCCC1C[NH+]=c2ccccc2=1)NCc1cccnc1[*:1]
Cc1noc(C)c1CC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 Fc1ccccc1CC[*:1] Cc1noc(C)c1CC(=O)N(C)CC1CC[NH+](CC1)[*:1]
Cc1noc(C)c1CC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1noc(C)c1CC(=O)N(C)CC1CC[NH+](CC1)CC[*:1]
Cc1noc(C)c1CC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 Fc1ccccc1C[*:1] Cc1noc(C)c1CC(=O)N(C)CC1CC[NH+](CC1)C[*:1]
Cc1noc(C)c1CC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 Cc1noc(C)c1[*:1] CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)C[*:1]
Cc1noc(C)c1CC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 Cc1noc(C)c1C[*:1] CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[*:1]
CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 CCS(=O)(=O)[*:1] C[C@@H](C[*:1])N[C@H](C)c1ccc(cc1)[N+](=O)[O-]
CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 CCS(=O)(=O)C[*:1] C[C@H](N[C@H](C)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(cc1)[*:1]
Cc1cc(C(=O)NNC(=O)NCc2ccnc(OC(C)(C)C)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)NNC(=O)[*:1]
Cc1cc(C(=O)NNC(=O)NCc2ccnc(OC(C)(C)C)c2)c(C)o1 CC(C)(C)O[*:1] Cc1cc(C(=O)NNC(=O)NCc2ccnc(c2)[*:1])c(C)o1
Cc1cc(C(=O)NNC(=O)NCc2ccnc(OC(C)(C)C)c2)c(C)o1 CC(C)(C)[*:1] Cc1cc(C(=O)NNC(=O)NCc2ccnc(c2)O[*:1])c(C)o1
C/[NH+]=C(/NCC[C@H](C)c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCC[C@H](C)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
C/[NH+]=C(/NCC[C@H](C)c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C[C@H](c1ccccc1)[*:1] C/[NH+]=C(/NCC[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
C/[NH+]=C(/NCC[C@H](C)c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C[C@@H](C[*:1])c1ccccc1 C/[NH+]=C(/NC[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
C/[NH+]=C(/NCC[C@H](C)c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] C/[NH+]=C(/NCC[C@H](C)c1ccccc1)N1CCN(CC1)C(=O)[*:1]
CCN[C@H](Cc1ccc(C)cc1)C[NH+](C)C CCN[*:1] Cc1ccc(cc1)C[C@H](C[NH+](C)C)[*:1]
NC(=O)[C@@H]1C[C@H](Cc2ccc(O)cc2)N[C@]12C(=O)Nc1ccccc12 Oc1ccc(cc1)[*:1] NC(=O)[C@@H]1C[C@H](C[*:1])N[C@]12C(=O)Nc1ccccc12
NC(=O)[C@@H]1C[C@H](Cc2ccc(O)cc2)N[C@]12C(=O)Nc1ccccc12 Oc1ccc(cc1)C[*:1] NC(=O)[C@@H]1C[C@H](N[C@]12C(=O)Nc1ccccc12)[*:1]
NC(=O)[C@@H]1C[C@H](Cc2ccc(O)cc2)N[C@]12C(=O)Nc1ccccc12 NC(=O)[*:1] O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccc(O)cc1)C[C@H]2[*:1]
CC(=O)Nc1cccc(C(=O)N(CCC#N)Cc2ccco2)c1 c1coc(c1)[*:1] CC(=O)Nc1cccc(c1)C(=O)N(CCC#N)C[*:1]
CC(=O)Nc1cccc(C(=O)N(CCC#N)Cc2ccco2)c1 N#CCC[*:1] CC(=O)Nc1cccc(c1)C(=O)N(Cc1ccco1)[*:1]
CC(=O)Nc1cccc(C(=O)N(CCC#N)Cc2ccco2)c1 CC(=O)N[*:1] N#CCCN(Cc1ccco1)C(=O)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)N(CCC#N)Cc2ccco2)c1 c1coc(c1)C[*:1] CC(=O)Nc1cccc(c1)C(=O)N(CCC#N)[*:1]
CC(=O)Nc1cccc(C(=O)N(CCC#N)Cc2ccco2)c1 N#CC[*:1] CC(=O)Nc1cccc(c1)C(=O)N(Cc1ccco1)C[*:1]
C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc21)[*:1]
COc1ccc(CN(C(=S)Nc2c(C)cc(C)cc2C)C2CC[NH+](C)CC2)cc1 Cc1cc(C)c(c(C)c1)[*:1] COc1ccc(cc1)CN(C(=S)N[*:1])C1CC[NH+](C)CC1
COc1ccc(CN(C(=S)Nc2c(C)cc(C)cc2C)C2CC[NH+](C)CC2)cc1 COc1ccc(cc1)C[*:1] Cc1cc(C)c(NC(=S)N(C2CC[NH+](C)CC2)[*:1])c(C)c1
COc1ccc(CN(C(=S)Nc2c(C)cc(C)cc2C)C2CC[NH+](C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=S)N(C[*:1])C2CC[NH+](C)CC2)c(C)c1
CCC1(CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CCC1 c1ccc(cc1)[*:1] CCC1(CCC1)CNC(=O)c1ccc(=O)n(C[*:1])n1
CCC1(CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CCC1 c1ccc(cc1)C[*:1] CCC1(CCC1)CNC(=O)c1ccc(=O)n(n1)[*:1]
CCC1(CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CCC1 CCC1(CCC1)C[*:1] O=C(N[*:1])c1ccc(=O)n(Cc2ccccc2)n1
CCC1(CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])c1ccc(=O)n(Cc2ccccc2)n1
Cc1cccc(C)c1CNC[C@H](O)c1cccc(OC(F)F)c1 FC(F)[*:1] Cc1cccc(C)c1CNC[C@H](O)c1cccc(c1)O[*:1]
Cc1cccc(C)c1CNC[C@H](O)c1cccc(OC(F)F)c1 FC(F)O[*:1] Cc1cccc(C)c1CNC[C@H](O)c1cccc(c1)[*:1]
COc1ccc(CSCc2nncn2C)cc1C#N Cn1cnnc1[*:1] COc1ccc(cc1C#N)CSC[*:1]
O=C(NC1CCCC1)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 O=C(NC1CCCC1)[*:1] O=S1(=O)N[C@H](Nc2ccccc21)c1ccc(cc1)[*:1]
O=C(NC1CCCC1)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 C1CCC(C1)[*:1] O=C(N[*:1])c1ccc(cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F O=C(N[*:1])C(F)(F)F O=S(=O)(c1ccc(cc1)[*:1])N1CCOCC1
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
C=CCNC(=O)Nc1ccc2nc(C)sc2c1 C=CC[*:1] Cc1nc2ccc(cc2s1)NC(=O)N[*:1]
Cc1ccccc1N1C=[NH+]n2c(nnc2SCC(=O)c2ccc(Cl)cc2)C1 Cc1ccccc1[*:1] O=C(CSc1nnc2CN(C=[NH+]n21)[*:1])c1ccc(Cl)cc1
Cc1ccccc1N1C=[NH+]n2c(nnc2SCC(=O)c2ccc(Cl)cc2)C1 O=C(c1ccc(Cl)cc1)[*:1] Cc1ccccc1N1C=[NH+]n2c(C1)nnc2SC[*:1]
Cc1ccccc1N1C=[NH+]n2c(nnc2SCC(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] Cc1ccccc1N1C=[NH+]n2c(C1)nnc2SCC(=O)[*:1]
C[C@]1(CNC(=O)c2ccnc(Cl)c2[N+](=O)[O-])CCCO1 O=[N+]([O-])[*:1] C[C@@]1(CCCO1)CNC(=O)c1ccnc(Cl)c1[*:1]
C[C@H]1CN(Cc2c[nH+]cn2C2CC2)C[C@@H](C)[NH2+]1 C1CC1[*:1] C[C@H]1CN(Cc2c[nH+]cn2[*:1])C[C@@H](C)[NH2+]1
CCCOC(=O)C[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 CCCOC(=O)C[*:1] C[C@@H](NC1=NS(=O)(=O)c2ccccc21)[*:1]
CCCOC(=O)C[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 CCCOC(=O)[*:1] C[C@H](C[*:1])NC1=NS(=O)(=O)c2ccccc21
CCCOC(=O)C[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 CCC[*:1] C[C@H](CC(=O)O[*:1])NC1=NS(=O)(=O)c2ccccc21
C[NH2+][C@H]1[C@@H](C[NH+](C)C)CCC1(C)C C[NH+](C)C[*:1] C[NH2+][C@H]1[C@@H](CCC1(C)C)[*:1]
O=C(CCCc1cccs1)Nc1ccccc1C(F)(F)F c1csc(c1)C[*:1] O=C(CC[*:1])Nc1ccccc1C(F)(F)F
O=C(CCCc1cccs1)Nc1ccccc1C(F)(F)F c1csc(c1)CC[*:1] O=C(C[*:1])Nc1ccccc1C(F)(F)F
O=C(CCCc1cccs1)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(CCCc1cccs1)Nc1ccccc1[*:1]
O=C(CCCc1cccs1)Nc1ccccc1C(F)(F)F c1csc(c1)[*:1] O=C(CCC[*:1])Nc1ccccc1C(F)(F)F
CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCN(CC1)[*:1]
CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCN(c2nccs2)CC1 CC(C)[*:1] C[NH+](Cc1ccccc1CNC(=O)N1CCN(CC1)c1nccs1)[*:1]
O=C(CCCn1ccnn1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1Cl)[*:1] O=C(CCCn1ccnn1)N1CCO[C@@H](C1)[*:1]
O=C(CCCn1ccnn1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CCO[C@H](C1)c1ccc(F)c(Cl)c1
O=C(CCCn1ccnn1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCO[C@H](C1)c1ccc(F)c(Cl)c1
O=C(CCCn1ccnn1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 c1cn(CCC[*:1])nn1 O=C(N1CCO[C@H](C1)c1ccc(F)c(Cl)c1)[*:1]
O=C(CCCn1ccnn1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCO[C@H](C1)c1ccc(F)c(Cl)c1
CCn1c(C2CCN(C(=O)c3cccc4cnccc34)CC2)nn(C)c1=O CCn1c(nn(C)c1=O)[*:1] O=C(c1cccc2cnccc12)N1CCC(CC1)[*:1]
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1[*:1]
O=C(NCCCCC1CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 C1CCC(C1)[*:1] O=C(NCCCC[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
O=C(NCCCCC1CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 C1CCC(C1)C[*:1] O=C(NCCC[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
O=C(NCCCCC1CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 C1CCC(C1)CC[*:1] O=C(NCC[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
COC(=O)/C(C#N)=C/c1cccn1CCCn1ccnc1 c1cn(cn1)[*:1] COC(=O)/C(C#N)=C/c1cccn1CCC[*:1]
COC(=O)/C(C#N)=C/c1cccn1CCCn1ccnc1 c1cn(cn1)C[*:1] COC(=O)/C(C#N)=C/c1cccn1CC[*:1]
COC(=O)/C(C#N)=C/c1cccn1CCCn1ccnc1 COC(=O)[*:1] N#CC(=Cc1cccn1CCCn1ccnc1)[*:1]
COC(=O)/C(C#N)=C/c1cccn1CCCn1ccnc1 c1cn(cn1)CC[*:1] COC(=O)/C(C#N)=C/c1cccn1C[*:1]
[NH3+]C[C@]1(O)CCC[C@H]1CCN(CC(F)(F)F)C1CC1 FC(F)(F)[*:1] [NH3+]C[C@]1(O)CCC[C@H]1CCN(C[*:1])C1CC1
[NH3+]C[C@]1(O)CCC[C@H]1CCN(CC(F)(F)F)C1CC1 C1CC1[*:1] [NH3+]C[C@]1(O)CCC[C@H]1CCN(CC(F)(F)F)[*:1]
[NH3+]C[C@]1(O)CCC[C@H]1CCN(CC(F)(F)F)C1CC1 FC(F)(F)C[*:1] [NH3+]C[C@]1(O)CCC[C@H]1CCN(C1CC1)[*:1]
NC(=S)[C@@H]1CN(S(=O)(=O)N2CCCCCC2)CCO1 NC(=S)[*:1] O=S(=O)(N1CCCCCC1)N1CCO[C@@H](C1)[*:1]
CNC(=O)CSc1nnc(-c2cncc(Br)c2)n1N CNC(=O)CS[*:1] Nn1c(nnc1[*:1])-c1cncc(Br)c1
CNC(=O)CSc1nnc(-c2cncc(Br)c2)n1N CNC(=O)C[*:1] Nn1c(nnc1-c1cncc(Br)c1)S[*:1]
CNC(=O)CSc1nnc(-c2cncc(Br)c2)n1N CNC(=O)[*:1] Nn1c(nnc1-c1cncc(Br)c1)SC[*:1]
Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1
Cc1nn(Cn2ccc(C(=O)Nc3ccc(F)c(F)c3)n2)c(C)c1Br Fc1ccc(cc1F)[*:1] Cc1nn(Cn2ccc(n2)C(=O)N[*:1])c(C)c1Br
Cc1nn(Cn2ccc(C(=O)Nc3ccc(F)c(F)c3)n2)c(C)c1Br Cc1nn(c(C)c1Br)[*:1] O=C(Nc1ccc(F)c(F)c1)c1ccn(C[*:1])n1
C[C@H]1CCCCN1C(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H]1CCCCN1C(=O)CNC(=O)CNC(=O)[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(F)(F)F NC(=O)[*:1] O=C(CCC(F)(F)F)N1Cc2ccccc2C[C@H]1[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(F)(F)F FC(F)(F)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(F)(F)F FC(F)(F)C[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(F)(F)F FC(F)(F)CC[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
CNC(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(OC)c(F)c1 CNC(=O)[*:1] COc1ccc(cc1F)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[*:1]
NC(=O)Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 NC(=O)Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
NC(=O)Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 c1coc(c1)[*:1] NC(=O)Cc1ccc(cc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
NC(=O)Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
NC(=O)Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 NC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
Cc1sc(C(=O)Nc2ccc(C#N)cn2)cc1-c1ccc(F)cc1 N#Cc1ccc(nc1)[*:1] Cc1sc(cc1-c1ccc(F)cc1)C(=O)N[*:1]
Cc1sc(C(=O)Nc2ccc(C#N)cn2)cc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(cc1[*:1])C(=O)Nc1ccc(C#N)cn1
CCN(c1ccccc1)c1ccc(CNC(=O)N[C@@H](C)CO)cc1 c1ccc(cc1)[*:1] CCN(c1ccc(cc1)CNC(=O)N[C@@H](C)CO)[*:1]
COc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c(cc1OC)[*:1]
CCn1nc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1C NC(=O)[*:1] CCn1nc(cc1C)C(=O)Nc1sc(cc1[*:1])-c1ccccc1
CCn1nc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1C c1ccc(cc1)[*:1] CCn1nc(cc1C)C(=O)Nc1sc(cc1C(N)=O)[*:1]
CCn1nc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1C CCn1nc(cc1C)[*:1] NC(=O)c1cc(sc1NC(=O)[*:1])-c1ccccc1
Cc1nnc(SCC(=O)Nc2nncs2)o1 c1nnc(s1)[*:1] Cc1nnc(o1)SCC(=O)N[*:1]
CCN(C(=O)c1ccccn1)[C@@H](c1ccc(OC)cc1)c1cccnc1 c1ccc(nc1)[*:1] CCN(C(=O)[*:1])[C@@H](c1ccc(cc1)OC)c1cccnc1
CCN(C(=O)c1ccccn1)[C@@H](c1ccc(OC)cc1)c1cccnc1 c1cncc(c1)[*:1] CCN(C(=O)c1ccccn1)[C@@H](c1ccc(cc1)OC)[*:1]
CCN(C(=O)c1ccccn1)[C@@H](c1ccc(OC)cc1)c1cccnc1 COc1ccc(cc1)[*:1] CCN(C(=O)c1ccccn1)[C@@H](c1cccnc1)[*:1]
CC1(C)[C@@H](OC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 O=[N+]([O-])[*:1] CC1(C)[C@@H](OC(=O)CCc2cccc(c2)[*:1])[C@@H]2CCO[C@H]21
FC(F)(F)c1cnc2ccccc2c1Br FC(F)(F)[*:1] Brc1c(cnc2ccccc12)[*:1]
CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(cc1)C[*:1]
COc1cccc(N2CC[NH+](CCc3ccccn3)CC2)c1 c1ccc(C[*:1])nc1 COc1cccc(c1)N1CC[NH+](CC1)C[*:1]
COc1cccc(N2CC[NH+](CCc3ccccn3)CC2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)N1CC[NH+](CC1)CC[*:1]
Cc1ccc(-c2cc(-c3nnc4sc(-c5ccccc5)nn34)[nH]n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cc([nH]n1)-c1nnc2sc(nn12)[*:1]
Cc1ccc(-c2cc(-c3nnc4sc(-c5ccccc5)nn34)[nH]n2)cc1 Cc1ccc(cc1)[*:1] c1ccc(cc1)-c1nn2c(nnc2s1)-c1cc(n[nH]1)[*:1]
COc1ccc(C)cc1NC(=O)c1nnn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)c1nnn(n1)[*:1]
CCc1nc(CNC(=O)[C@H]2CSCN2C(=O)c2ccccc2C)cs1 CCc1nc(cs1)[*:1] Cc1ccccc1C(=O)N1CSC[C@@H]1C(=O)NC[*:1]
CCc1nc(CNC(=O)[C@H]2CSCN2C(=O)c2ccccc2C)cs1 Cc1ccccc1[*:1] CCc1nc(cs1)CNC(=O)[C@H]1CSCN1C(=O)[*:1]
CCc1nc(CNC(=O)[C@H]2CSCN2C(=O)c2ccccc2C)cs1 CCc1nc(cs1)C[*:1] Cc1ccccc1C(=O)N1CSC[C@@H]1C(=O)N[*:1]
O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnnn1-c1ccc2OCCOc2c1)N[*:1]
C[C@H]1CCC2=c3c(nc(=O)n4nc(-c5cccc(S(=O)(=O)N6CCOCC6)c5)nc34)S[C@@H]2C1 O=S(=O)(N1CCOCC1)[*:1] C[C@H]1CCC2=c3c(nc(=O)n4nc(nc34)-c3cccc(c3)[*:1])S[C@@H]2C1
Cc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCCCC4)ccc32)cc1Cl O=S(=O)(N1CCCCCC1)[*:1] Cc1ccc(cc1Cl)NC(=O)Cn1c(=O)oc2cc(ccc21)[*:1]
Cc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCCCC4)ccc32)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCCCCC1)N[*:1]
Cc1ccc(OCC(=O)NC[C@H](C)Oc2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)OCC(=O)NC[C@H](C)O[*:1]
Cc1ccc(OCC(=O)NC[C@H](C)Oc2ccccc2F)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CNC(=O)CO[*:1])Oc1ccccc1F
CCOC(=O)CC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 CCOC(=O)C[*:1] CC1CCN(CC1)C(=O)c1cccc(c1)NC(=O)[*:1]
CCOC(=O)CC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 CCOC(=O)[*:1] CC1CCN(CC1)C(=O)c1cccc(c1)NC(=O)C[*:1]
O=c1c2cc(Cl)ccc2ncn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] O=c1c2cc(Cl)ccc2ncn1Cc1nc(no1)-c1cccc(c1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1cn(Cc2cccnc2)nn1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1cn(Cc2cccnc2)nn1
C[C@H](Cc1cccs1)N(C)C(=O)c1cn(Cc2cccnc2)nn1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)c1cn(Cc2cccnc2)nn1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)[*:1] C[C@H](Cc1cccs1)N(C)C(=O)c1cn(C[*:1])nn1
C[C@H](Cc1cccs1)N(C)C(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)C[*:1] C[C@H](Cc1cccs1)N(C)C(=O)c1cn(nn1)[*:1]
O=C(CCOc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 Fc1cccc(c1)O[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C(CCOc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 Fc1cccc(c1)OC[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C(CCOc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 Fc1cccc(c1)[*:1] O=C(CCO[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C(CCOc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc2cc(ccc2c1)[*:1] O=C(CCOc1cccc(F)c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CCOc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 Fc1cccc(c1)OCC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)[*:1]
COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 CC(C)C[*:1] COc1cccc(c1)NC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)[*:1]
COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 CC(C)[*:1] COc1cccc(c1)NC(=O)[C@H](C[*:1])NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1
COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 COc1cccc(c1)[*:1] CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[*:1]
CC[C@H](C)[C@H](NC(=O)c1cc(C(C)(C)C)nn1C)C(N)=O CC[C@H](C)[*:1] Cn1nc(cc1C(=O)N[C@H](C(N)=O)[*:1])C(C)(C)C
CC[C@H](C)[C@H](NC(=O)c1cc(C(C)(C)C)nn1C)C(N)=O CC(C)(C)[*:1] CC[C@H](C)[C@H](NC(=O)c1cc(nn1C)[*:1])C(N)=O
CC[C@H](C)[C@H](NC(=O)c1cc(C(C)(C)C)nn1C)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)[*:1]
O=C([C@@H]1SCCc2sccc21)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C([C@@H]1SCCc2sccc21)N1CCO[C@@H](C1)[*:1]
CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccccc1OC COc1ccccc1C[*:1] CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1[*:1]
CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccccc1OC COc1ccccc1[*:1] CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C[*:1]
O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1 c1ccc(cc1)CS[*:1] O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](C[*:1])C(=O)N2C1
O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1 Clc1ccc(c(Cl)c1)[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1)N[*:1]
O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](CSC[*:1])C(=O)N2C1
O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](CS[*:1])C(=O)N2C1
O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1 c1ccc(cc1)CSC[*:1] O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](C(=O)N2C1)[*:1]
CC(C)c1nc(CSc2nc(N)c(C#N)cc2C#N)cs1 CC(C)[*:1] N#Cc1cc(C#N)c(nc1N)SCc1csc(n1)[*:1]
CCOC(=O)[C@@H]1CCc2sc(NC(=O)CNC(=O)c3ccc(=O)[nH]c3)nc21 O=c1ccc(c[nH]1)[*:1] CCOC(=O)[C@@H]1CCc2sc(nc21)NC(=O)CNC(=O)[*:1]
CCOC(=O)[C@@H]1CCc2sc(NC(=O)CNC(=O)c3ccc(=O)[nH]c3)nc21 CCOC(=O)[*:1] O=C(CNC(=O)c1ccc(=O)[nH]c1)Nc1nc2c(CC[C@H]2[*:1])s1
Cc1cc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1ccc(c(C)c1[N-]S(=O)(=O)[*:1])[N+](=O)[O-]
Cc1cc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c(C)s1 O=[N+]([O-])[*:1] Cc1cc(c(C)s1)S(=O)(=O)[N-]c1c(C)ccc(c1C)[*:1]
COC(=O)CN(C(=O)C[C@H]1C[NH2+]CCO1)C(C)C COC(=O)C[*:1] CC(C)N(C(=O)C[C@H]1C[NH2+]CCO1)[*:1]
COC(=O)CN(C(=O)C[C@H]1C[NH2+]CCO1)C(C)C COC(=O)[*:1] CC(C)N(C[*:1])C(=O)C[C@H]1C[NH2+]CCO1
COC(=O)CN(C(=O)C[C@H]1C[NH2+]CCO1)C(C)C CC(C)[*:1] COC(=O)CN(C(=O)C[C@H]1C[NH2+]CCO1)[*:1]
CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NC[C@H]3CCCO3)cc12 COc1cccc(c1)[*:1] CCOc1cc(nc2ccc(cc12)C(=O)NC[C@H]1CCCO1)[*:1]
CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NC[C@H]3CCCO3)cc12 CCO[*:1] COc1cccc(c1)-c1cc(c2cc(ccc2n1)C(=O)NC[C@H]1CCCO1)[*:1]
O=C(c1cnn(Cc2ccccc2)c1)N(Cc1cncs1)C1CC1 c1ncc(C[*:1])s1 O=C(c1cnn(c1)Cc1ccccc1)N(C1CC1)[*:1]
O=C(c1cnn(Cc2ccccc2)c1)N(Cc1cncs1)C1CC1 c1ccc(cc1)[*:1] O=C(c1cnn(c1)C[*:1])N(Cc1cncs1)C1CC1
O=C(c1cnn(Cc2ccccc2)c1)N(Cc1cncs1)C1CC1 C1CC1[*:1] O=C(c1cnn(c1)Cc1ccccc1)N(Cc1cncs1)[*:1]
O=C(c1cnn(Cc2ccccc2)c1)N(Cc1cncs1)C1CC1 c1ncc(s1)[*:1] O=C(c1cnn(c1)Cc1ccccc1)N(C[*:1])C1CC1
O=C(c1cnn(Cc2ccccc2)c1)N(Cc1cncs1)C1CC1 c1ccc(cc1)C[*:1] O=C(c1cnn(c1)[*:1])N(Cc1cncs1)C1CC1
C[C@@H]1CCC[C@@](Cc2ncccn2)(C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1CCC[C@@](Cc2ncccn2)(C1)[*:1]
NC(=O)c1cncc(NC[C@@H](c2cccc(F)c2)N2CCOCC2)n1 C1CN(CCO1)[*:1] NC(=O)c1cncc(n1)NC[C@@H](c1cccc(F)c1)[*:1]
NC(=O)c1cncc(NC[C@@H](c2cccc(F)c2)N2CCOCC2)n1 NC(=O)[*:1] Fc1cccc(c1)[C@H](CNc1cncc(n1)[*:1])N1CCOCC1
NC(=O)c1cncc(NC[C@@H](c2cccc(F)c2)N2CCOCC2)n1 Fc1cccc(c1)[*:1] NC(=O)c1cncc(n1)NC[C@@H](N1CCOCC1)[*:1]
CC(=O)Nc1cccc(NC(=O)Cc2ccc(F)cc2F)c1 CC(=O)N[*:1] O=C(Cc1ccc(F)cc1F)Nc1cccc(c1)[*:1]
CC(=O)N1CCc2cc(NC(=O)CNc3ccc(C(=O)N(C)C)cc3)ccc21 CN(C)C(=O)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)CNc1ccc(cc1)[*:1]
O=C(NCc1cccs1)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 c1csc(c1)[*:1] O=C(NC[*:1])c1ccc(cc1)-c1nc(no1)-c1ccc(F)cc1
O=C(NCc1cccs1)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 O=C(NCc1cccs1)[*:1] Fc1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[*:1]
O=C(NCc1cccs1)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 c1csc(c1)C[*:1] O=C(N[*:1])c1ccc(cc1)-c1nc(no1)-c1ccc(F)cc1
O=C(NCc1cccs1)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1cccs1)c1ccc(cc1)-c1nc(no1)[*:1]
N#CCCN(CC1CC1)C(=O)Nc1ccc(F)c(F)c1F C1CC1[*:1] N#CCCN(C[*:1])C(=O)Nc1ccc(F)c(F)c1F
N#CCCN(CC1CC1)C(=O)Nc1ccc(F)c(F)c1F N#CCC[*:1] O=C(Nc1ccc(F)c(F)c1F)N(CC1CC1)[*:1]
N#CCCN(CC1CC1)C(=O)Nc1ccc(F)c(F)c1F C1CC1C[*:1] N#CCCN(C(=O)Nc1ccc(F)c(F)c1F)[*:1]
N#CCCN(CC1CC1)C(=O)Nc1ccc(F)c(F)c1F N#CC[*:1] O=C(Nc1ccc(F)c(F)c1F)N(CC1CC1)C[*:1]
C[C@]1(c2ccccc2)NC(=O)N(Cc2nc(-c3ccccc3)no2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(Cc2nc(no2)-c2ccccc2)C1=O)[*:1]
C[C@]1(c2ccccc2)NC(=O)N(Cc2nc(-c3ccccc3)no2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(Cc2nc(no2)[*:1])C1=O)c1ccccc1
CN(C(=O)Cc1cccc(OCc2cccnc2)c1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)Cc1cccc(c1)OCc1cccnc1)[*:1]
CN(C(=O)Cc1cccc(OCc2cccnc2)c1)C1CCCCC1 c1cncc(c1)C[*:1] CN(C(=O)Cc1cccc(c1)O[*:1])C1CCCCC1
CN(C(=O)Cc1cccc(OCc2cccnc2)c1)C1CCCCC1 c1cncc(c1)CO[*:1] CN(C(=O)Cc1cccc(c1)[*:1])C1CCCCC1
CN(C(=O)Cc1cccc(OCc2cccnc2)c1)C1CCCCC1 c1cncc(c1)[*:1] CN(C(=O)Cc1cccc(c1)OC[*:1])C1CCCCC1
CC[NH+](CC)Cc1cn(C2CC[NH+](C3CCCCCC3)CC2)nn1 C1CCCC(CC1)[*:1] CC[NH+](CC)Cc1cn(nn1)C1CC[NH+](CC1)[*:1]
COc1ccc(/C=C/c2noc(C)c2NC(=O)COc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] COc1ccc(/C=C/c2noc(C)c2NC(=O)CO[*:1])cc1
COc1ccc(/C=C/c2noc(C)c2NC(=O)COc2cccc(C)c2)cc1 Cc1cccc(c1)O[*:1] COc1ccc(/C=C/c2noc(C)c2NC(=O)C[*:1])cc1
COc1ccc(/C=C/c2noc(C)c2NC(=O)COc2cccc(C)c2)cc1 Cc1cccc(c1)OC[*:1] COc1ccc(/C=C/c2noc(C)c2NC(=O)[*:1])cc1
COc1ccc(/C=C/c2noc(C)c2NC(=O)COc2cccc(C)c2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)Nc1c(C=C[*:1])noc1C
Cc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2C=O)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)COc1ccc2ccccc2c1C=O)[*:1]
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)S[C@H](C)C(C)C CC(C)[*:1] Cc1cccc(c1NC(=O)[C@@H](C)S[C@H](C)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)S[C@H](C)C(C)C CC(C)[*:1] Cc1cccc(c1NC(=O)[C@@H](C)S[C@H](C)C(C)C)[*:1]
CCCNC(=O)C1(NCc2csc(NC(C)=O)n2)CCCCC1 CCC[*:1] CC(=O)Nc1nc(cs1)CNC1(CCCCC1)C(=O)N[*:1]
CCCNC(=O)C1(NCc2csc(NC(C)=O)n2)CCCCC1 CC(=O)N[*:1] CCCNC(=O)C1(CCCCC1)NCc1csc(n1)[*:1]
CCCNC(=O)C1(NCc2csc(NC(C)=O)n2)CCCCC1 CCCNC(=O)[*:1] CC(=O)Nc1nc(cs1)CNC1(CCCCC1)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 C[C@@H]1OCC[C@@H]1[*:1] O=C(N1CCC(CC1)n1cc[nH+]c1)[*:1]
CCC(C)(C)Nc1ccc(C#N)c([N+](=O)[O-])c1 CCC(C)(C)[*:1] N#Cc1ccc(cc1[N+](=O)[O-])N[*:1]
CCC(C)(C)Nc1ccc(C#N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC(C)(C)Nc1ccc(C#N)c(c1)[*:1]
CCCN(CCC)C(=O)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2 C1CCC(CC1)[*:1] CCCN(CCC)C(=O)c1c2CN(C(=O)c2nc2ccccc12)[*:1]
CCCN(CCC)C(=O)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2 CCC[*:1] CCCN(C(=O)c1c2CN(C(=O)c2nc2ccccc12)C1CCCCC1)[*:1]
CCCN(CCC)C(=O)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2 CCCN(CCC)C(=O)[*:1] O=C1c2nc3ccccc3c(c2CN1C1CCCCC1)[*:1]
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@@H]1COCCO1)C1CC1 FC(F)(F)[*:1] C[C@H](c1cccc(c1)[*:1])N(C(=O)[C@@H]1COCCO1)C1CC1
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@@H]1COCCO1)C1CC1 C1CC1[*:1] C[C@H](c1cccc(c1)C(F)(F)F)N(C(=O)[C@@H]1COCCO1)[*:1]
O=C(NCc1ccc(-n2cccn2)cc1)N[C@H]1c2ccccc2C[C@H]1O c1cnn(c1)[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@H]1c2ccccc2C[C@H]1O
CNC(=O)[C@@H](C)NC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 CNC(=O)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)Cc1nc2ccccc2s1)[*:1]
CC1CCC(Oc2cc(CNC(=O)NCCC(=O)N(C)C)ccn2)CC1 CC1CCC(CC1)O[*:1] CN(C)C(=O)CCNC(=O)NCc1ccnc(c1)[*:1]
CC1CCC(Oc2cc(CNC(=O)NCCC(=O)N(C)C)ccn2)CC1 CN(C)C(=O)[*:1] CC1CCC(CC1)Oc1cc(ccn1)CNC(=O)NCC[*:1]
CC1CCC(Oc2cc(CNC(=O)NCCC(=O)N(C)C)ccn2)CC1 CC1CCC(CC1)[*:1] CN(C)C(=O)CCNC(=O)NCc1ccnc(c1)O[*:1]
CC1CCC(Oc2cc(CNC(=O)NCCC(=O)N(C)C)ccn2)CC1 CN(C)C(=O)C[*:1] CC1CCC(CC1)Oc1cc(ccn1)CNC(=O)NC[*:1]
CC1CCC(Oc2cc(CNC(=O)NCCC(=O)N(C)C)ccn2)CC1 CN(C)C(=O)CC[*:1] CC1CCC(CC1)Oc1cc(ccn1)CNC(=O)N[*:1]
CCc1cc(NCc2ccncc2)nc(N2CCOCC2)[nH+]1 c1cc(ccn1)C[*:1] CCc1cc(nc([nH+]1)N1CCOCC1)N[*:1]
CCc1cc(NCc2ccncc2)nc(N2CCOCC2)[nH+]1 c1cc(ccn1)[*:1] CCc1cc(nc([nH+]1)N1CCOCC1)NC[*:1]
CCc1cc(NCc2ccncc2)nc(N2CCOCC2)[nH+]1 C1CN(CCO1)[*:1] CCc1cc(nc([nH+]1)[*:1])NCc1ccncc1
COc1ccc(C[NH2+]Cc2ncn(C)n2)cc1SC Cn1cnc(n1)[*:1] COc1ccc(cc1SC)C[NH2+]C[*:1]
O=S(=O)(NC[C@@](O)(c1ccccc1)C1CC1)c1ccccc1F C1CC1[*:1] O=S(=O)(NC[C@@](O)(c1ccccc1)[*:1])c1ccccc1F
O=S(=O)(NC[C@@](O)(c1ccccc1)C1CC1)c1ccccc1F Fc1ccccc1[*:1] O=S(=O)(NC[C@@](O)(c1ccccc1)C1CC1)[*:1]
O=S(=O)(NC[C@@](O)(c1ccccc1)C1CC1)c1ccccc1F c1ccc(cc1)[*:1] O=S(=O)(NC[C@@](O)(C1CC1)[*:1])c1ccccc1F
CCOc1ccccc1C(=O)Nc1nc2c(C)cccc2s1 CCO[*:1] Cc1cccc2sc(nc12)NC(=O)c1ccccc1[*:1]
Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)[*:1]
Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1nn(Cc2cccc3ccccc23)c(C)c1[*:1]
CCN(C)c1cc(C)c(N)c(C(=O)OC)c1 CCN(C)[*:1] COC(=O)c1cc(cc(C)c1N)[*:1]
CCN(C)c1cc(C)c(N)c(C(=O)OC)c1 COC(=O)[*:1] CCN(C)c1cc(C)c(N)c(c1)[*:1]
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cn2ccccc2n1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1cn2ccccc2n1
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cn2ccccc2n1 c1ccn2cc(nc2c1)[*:1] O=C(Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1)[*:1]
O=C(NC[C@@H]1COCCO1)[C@H]1CC(c2cccc(F)c2)=NO1 C1CO[C@@H](CO1)C[*:1] O=C(N[*:1])[C@H]1CC(=NO1)c1cccc(F)c1
O=C(NC[C@@H]1COCCO1)[C@H]1CC(c2cccc(F)c2)=NO1 C1CO[C@@H](CO1)[*:1] O=C(NC[*:1])[C@H]1CC(=NO1)c1cccc(F)c1
O=C(NC[C@@H]1COCCO1)[C@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] O=C(NC[C@@H]1COCCO1)[C@H]1CC(=NO1)[*:1]
CSc1nnc(CCCNC(=O)[C@H]2CCCO2)n1C1CCCC1 C1CCC(C1)[*:1] CSc1nnc(CCCNC(=O)[C@H]2CCCO2)n1[*:1]
CSc1nnc(CCCNC(=O)[C@H]2CCCO2)n1C1CCCC1 C1CO[C@H](C1)[*:1] CSc1nnc(CCCNC(=O)[*:1])n1C1CCCC1
NC(=O)[C@H]1CC(C(=O)Nc2cccnc2)=NN1c1ccc(F)cc1 NC(=O)[*:1] O=C(Nc1cccnc1)C1C[C@@H](N(N=1)c1ccc(F)cc1)[*:1]
NC(=O)[C@H]1CC(C(=O)Nc2cccnc2)=NN1c1ccc(F)cc1 c1cncc(c1)[*:1] NC(=O)[C@H]1CC(=NN1c1ccc(F)cc1)C(=O)N[*:1]
NC(=O)[C@H]1CC(C(=O)Nc2cccnc2)=NN1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@H]1CC(=NN1[*:1])C(=O)Nc1cccnc1
COCCn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2sc3c(c2c1=O)CCCC3 COC[*:1] O=C(CSc1nc2sc3CCCCc3c2c(=O)n1C[*:1])Nc1ncc(Cl)cc1Cl
COCCn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2sc3c(c2c1=O)CCCC3 COCC[*:1] O=C(CSc1nc2sc3CCCCc3c2c(=O)n1[*:1])Nc1ncc(Cl)cc1Cl
COCCn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2sc3c(c2c1=O)CCCC3 Clc1cnc(c(Cl)c1)[*:1] COCCn1c(nc2sc3CCCCc3c2c1=O)SCC(=O)N[*:1]
COc1ccc(C(=O)N2CSC[C@H]2C(=O)[O-])cc1C#N O=C([O-])[*:1] COc1ccc(cc1C#N)C(=O)N1CSC[C@@H]1[*:1]
C=CCc1ccc(OC(=O)c2ccc([S@](C)=O)cc2)c(OC)c1 C=CC[*:1] COc1cc(ccc1OC(=O)c1ccc(cc1)[S@](C)=O)[*:1]
COc1ccc(Cl)cc1NC(=S)N(C)CCC#N N#CC[*:1] COc1ccc(Cl)cc1NC(=S)N(C)C[*:1]
COc1ccc(Cl)cc1NC(=S)N(C)CCC#N N#CCC[*:1] COc1ccc(Cl)cc1NC(=S)N(C)[*:1]
CC[C@H](Oc1ccccc1C)/C([O-])=N/S(=O)(=O)c1sc(C)nc1C Cc1nc(C)c(s1)[*:1] CC[C@H](Oc1ccccc1C)/C([O-])=N/S(=O)(=O)[*:1]
CC[C@H](Oc1ccccc1C)/C([O-])=N/S(=O)(=O)c1sc(C)nc1C Cc1ccccc1[*:1] CC[C@H](O[*:1])/C([O-])=N/S(=O)(=O)c1sc(C)nc1C
CC[C@H](Oc1ccccc1C)/C([O-])=N/S(=O)(=O)c1sc(C)nc1C Cc1ccccc1O[*:1] CC[C@H](/C([O-])=N/S(=O)(=O)c1sc(C)nc1C)[*:1]
O=C(Cc1cn2c(nc1=O)SCC2)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cc1cn2CCSc2nc1=O)NC[*:1]
C[C@@H](NC(=O)N1CCC(c2cnn(C)c2)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)c1cnn(C)c1)[*:1]
C[C@@H](NC(=O)N1CCC(c2cnn(C)c2)CC1)c1ccc(Cl)s1 Cn1cc(cn1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(Cl)s1
CCCC(=O)Nc1ccc(C)c(OCc2cc(=O)n3oc(C)cc3n2)c1 CCC[*:1] Cc1cc2nc(cc(=O)n2o1)COc1cc(ccc1C)NC(=O)[*:1]
CCCC(=O)Nc1ccc(C)c(OCc2cc(=O)n3oc(C)cc3n2)c1 CCCC(=O)N[*:1] Cc1cc2nc(cc(=O)n2o1)COc1cc(ccc1C)[*:1]
C[NH2+][C@H](C)c1cc(F)ccc1Sc1ncccn1 c1cnc(nc1)[*:1] C[NH2+][C@H](C)c1cc(F)ccc1S[*:1]
C[NH+](Cc1ccc(N2CCCC2)nc1)C(C1CC1)C1CC1 C1CC1[*:1] C[NH+](Cc1ccc(nc1)N1CCCC1)C(C1CC1)[*:1]
C[NH+](Cc1ccc(N2CCCC2)nc1)C(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] C[NH+](Cc1ccc(nc1)N1CCCC1)[*:1]
C[NH+](Cc1ccc(N2CCCC2)nc1)C(C1CC1)C1CC1 C1CCN(C1)[*:1] C[NH+](Cc1ccc(nc1)[*:1])C(C1CC1)C1CC1
CN(Cc1cccs1)C(=O)c1cscn1 c1nc(cs1)[*:1] CN(Cc1cccs1)C(=O)[*:1]
CN(Cc1cccs1)C(=O)c1cscn1 c1csc(c1)[*:1] CN(C[*:1])C(=O)c1cscn1
Cc1ccc(CC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 Cc1ccc(cc1)C[*:1] O=C(CN1CCOCC1)Nc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(CC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)CC(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(CC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCOCC1)Nc1ccc(cc1)NC(=O)C[*:1]
Cc1ccc(CC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)CC(=O)Nc1ccc(cc1)NC(=O)C[*:1]
CC(C)Oc1ccccc1C(=O)NCCc1n[nH]c(=S)n1C CC(C)O[*:1] Cn1c(CCNC(=O)c2ccccc2[*:1])n[nH]c1=S
CC(C)Oc1ccccc1C(=O)NCCc1n[nH]c(=S)n1C Cn1c(n[nH]c1=S)[*:1] CC(C)Oc1ccccc1C(=O)NCC[*:1]
CC(C)Oc1ccccc1C(=O)NCCc1n[nH]c(=S)n1C CC(C)[*:1] Cn1c(CCNC(=O)c2ccccc2O[*:1])n[nH]c1=S
CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 c1nc(cs1)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(cc1)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)NCCCc1ccccc1 c1ccc(cc1)C[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)C(=O)NCC[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)NCCCc1ccccc1 c1ccc(cc1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)C(=O)NCCC[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)NCCCc1ccccc1 c1ccc(cc1)CC[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)C(=O)NC[*:1]
Cn1cc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] Cn1cc(C(=O)N2CCC[C@@](C)(C2)[*:1])c(=O)[nH]c1=O
[NH3+]C[C@@H]1CCCCN1S(=O)(=O)Cc1ccccn1 c1ccc(nc1)[*:1] [NH3+]C[C@@H]1CCCCN1S(=O)(=O)C[*:1]
COc1ccc(OCCN(C)C(=O)c2cc(C)sc2C)cc1 Cc1cc(c(C)s1)[*:1] COc1ccc(cc1)OCCN(C)C(=O)[*:1]
O=C(/C=C/c1cccs1)N(Cc1ccco1)c1nc2ccc(F)cc2s1 c1coc(c1)C[*:1] O=C(/C=C/c1cccs1)N(c1nc2ccc(F)cc2s1)[*:1]
O=C(/C=C/c1cccs1)N(Cc1ccco1)c1nc2ccc(F)cc2s1 c1coc(c1)[*:1] O=C(/C=C/c1cccs1)N(C[*:1])c1nc2ccc(F)cc2s1
O=C(/C=C/c1cccs1)N(Cc1ccco1)c1nc2ccc(F)cc2s1 c1csc(c1)[*:1] O=C(C=C[*:1])N(Cc1ccco1)c1nc2ccc(F)cc2s1
O=C(/C=C/c1cccs1)N(Cc1ccco1)c1nc2ccc(F)cc2s1 C(=C[*:1])c1cccs1 O=C(N(Cc1ccco1)c1nc2ccc(F)cc2s1)[*:1]
CCCc1cc(NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)n(C)n1 Fc1ccccc1[*:1] CCCc1cc(NC(=O)N2C[C@H](C)C[C@@H]2[*:1])n(C)n1
CCCc1cc(NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)n(C)n1 CCC[*:1] C[C@@H]1C[C@@H](c2ccccc2F)N(C1)C(=O)Nc1cc(nn1C)[*:1]
CCC[C@H](C)CC1([C@@H]2CCS(=O)(=O)C2)C[NH2+]C1 CCC[C@H](C)[*:1] O=S1(=O)CC[C@H](C1)C1(C[NH2+]C1)C[*:1]
CCC[C@H](C)CC1([C@@H]2CCS(=O)(=O)C2)C[NH2+]C1 CCC[*:1] C[C@H](CC1(C[NH2+]C1)[C@@H]1CCS(=O)(=O)C1)[*:1]
CCC[C@@](C)(Nc1ccc(Cl)c(Br)c1)C(=O)OC CCC[*:1] COC(=O)[C@@](C)(Nc1ccc(Cl)c(Br)c1)[*:1]
CCC[C@@](C)(Nc1ccc(Cl)c(Br)c1)C(=O)OC COC(=O)[*:1] CCC[C@@](C)(Nc1ccc(Cl)c(Br)c1)[*:1]
Cc1nn(C)c2cnn(CCCNC(=O)COc3ccccc3F)c12 Fc1ccccc1O[*:1] Cc1nn(C)c2cnn(CCCNC(=O)C[*:1])c12
Cc1nn(C)c2cnn(CCCNC(=O)COc3ccccc3F)c12 Fc1ccccc1[*:1] Cc1nn(C)c2cnn(CCCNC(=O)CO[*:1])c12
C[C@@H]1CCC[C@@]([NH3+])(c2nc([C@@H]3CSCCO3)no2)C1 C1CSC[C@H](O1)[*:1] C[C@@H]1CCC[C@]([NH3+])(C1)c1nc(no1)[*:1]
O=C(CN1C(=O)CCC1=O)Nc1nnc(-c2ccc(Cl)cc2Cl)o1 O=C1CCC(=O)N1[*:1] O=C(C[*:1])Nc1nnc(o1)-c1ccc(Cl)cc1Cl
O=C(CN1C(=O)CCC1=O)Nc1nnc(-c2ccc(Cl)cc2Cl)o1 O=C1CCC(=O)N1C[*:1] O=C(Nc1nnc(o1)-c1ccc(Cl)cc1Cl)[*:1]
O=C(CN1C(=O)CCC1=O)Nc1nnc(-c2ccc(Cl)cc2Cl)o1 Clc1ccc(c(Cl)c1)[*:1] O=C(CN1C(=O)CCC1=O)Nc1nnc(o1)[*:1]
Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nnc(CC(C)C)s1 CC(C)C[*:1] Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nnc(s1)[*:1]
Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nnc(CC(C)C)s1 O=C(N[*:1])c1ccco1 Cc1cc(sc1C(=O)Nc1nnc(CC(C)C)s1)[*:1]
Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nnc(CC(C)C)s1 CC(C)[*:1] Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nnc(C[*:1])s1
Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nnc(CC(C)C)s1 c1coc(c1)[*:1] Cc1cc(NC(=O)[*:1])sc1C(=O)Nc1nnc(CC(C)C)s1
COc1ccc(Cl)cc1NC(=O)Cc1sc(C)nc1-c1cccs1 c1csc(c1)[*:1] COc1ccc(Cl)cc1NC(=O)Cc1sc(C)nc1[*:1]
COC(=O)c1ccc(CSc2nc(-c3ccccc3OC)n[nH]2)o1 COC(=O)[*:1] COc1ccccc1-c1n[nH]c(n1)SCc1ccc(o1)[*:1]
COC(=O)c1ccc(CSc2nc(-c3ccccc3OC)n[nH]2)o1 COc1ccccc1[*:1] COC(=O)c1ccc(CSc2nc(n[nH]2)[*:1])o1
CSc1nsc(NC(=O)c2cccc(CN3CCOCC3)c2)n1 C1CN(CCO1)[*:1] CSc1nsc(n1)NC(=O)c1cccc(c1)C[*:1]
CSc1nsc(NC(=O)c2cccc(CN3CCOCC3)c2)n1 C1CN(CCO1)C[*:1] CSc1nsc(n1)NC(=O)c1cccc(c1)[*:1]
CSc1nsc(NC(=O)c2cccc(CN3CCOCC3)c2)n1 CSc1nsc(n1)[*:1] O=C(N[*:1])c1cccc(c1)CN1CCOCC1
COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3ccc[nH]3)C2)c1 c1c[nH]c(c1)[*:1] COc1cc(cc(c1)N1CC[C@H](C1)NC(=O)[*:1])OC
COc1ccc([C@H](Cl)C(=O)N(C)C)c2ccccc12 CN(C)C(=O)[*:1] COc1ccc(c2ccccc12)[C@H](Cl)[*:1]
Cc1cc(C(=O)N(C(C)C)C2CCC2)nc2c1c(=O)n(C)c(=O)n2C C1CC(C1)[*:1] Cc1cc(nc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C(C)C)[*:1]
Cc1cc(C(=O)N(C(C)C)C2CCC2)nc2c1c(=O)n(C)c(=O)n2C CC(C)[*:1] Cc1cc(nc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C1CCC1)[*:1]
CCC[C@@H]1CN(C(=O)[C@H]2CCCOC2)CCO1 CCC[*:1] O=C([C@H]1CCCOC1)N1CCO[C@@H](C1)[*:1]
COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)NCc1ccco1 COC(=O)[*:1] O=S(=O)(NCc1ccco1)c1c(sc2cccc(F)c12)[*:1]
COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)NCc1ccco1 c1coc(c1)C[*:1] COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N[*:1]
COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)NCc1ccco1 c1coc(c1)[*:1] COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)NC[*:1]
[NH3+][C@H](CC1=c2cccc(O)c2=[NH+]C1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H](CC1C[NH+]=c2c(O)cccc2=1)[*:1]
CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1I Ic1ccccc1[*:1] CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CCn1ccnc1SCc1cccc(NC(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] CCn1ccnc1SCc1cccc(c1)NC(=O)O[*:1]
CCn1ccnc1SCc1cccc(NC(=O)OC(C)(C)C)c1 CCn1ccnc1[*:1] CC(C)(C)OC(=O)Nc1cccc(c1)CS[*:1]
CC1(C(=O)N[C@H](C(=O)[O-])C2CC2)CCCC1 C1CC1[*:1] CC1(CCCC1)C(=O)N[C@H](C(=O)[O-])[*:1]
CC1(C(=O)N[C@H](C(=O)[O-])C2CC2)CCCC1 O=C([O-])[*:1] CC1(CCCC1)C(=O)N[C@H](C1CC1)[*:1]
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(O)c(Cl)c2)c(C)c1 Oc1ccc(cc1Cl)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)[*:1])c(C)c1
O=C(CC1(O)CCCCC1)Nc1cccc(-c2ncco2)c1 OC1(CCCCC1)[*:1] O=C(C[*:1])Nc1cccc(c1)-c1ncco1
O=C(CC1(O)CCCCC1)Nc1cccc(-c2ncco2)c1 c1coc(n1)[*:1] O=C(CC1(O)CCCCC1)Nc1cccc(c1)[*:1]
CC1CCC(NC(=O)CSCC[NH3+])CC1 [NH3+]CCSC[*:1] CC1CCC(CC1)NC(=O)[*:1]
C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] C[NH+](C)CC(=O)Nc1ccc(cc1)NC(=O)[C@H]1C[C@H]1[*:1]
O=C([O-])c1cccc2nc(Cl)c(Cl)nc12 O=C([O-])[*:1] Clc1nc2cccc(c2nc1Cl)[*:1]
Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCn3c(C)nnc3C2)s1 Cc1ccc(s1)[*:1] Cc1nnc2CN(CCn12)C(=O)[C@H]1C[C@H]1[*:1]
Cc1n[nH]cc1C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC(C)C)C1 CC(C)[*:1] Cc1n[nH]cc1C(=O)N1CC[C@@](Cc2ccc(cc2)-c2ccsc2)(C1)C(=O)N[*:1]
Cc1n[nH]cc1C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC(C)C)C1 CC(C)NC(=O)[*:1] Cc1n[nH]cc1C(=O)N1CC[C@](Cc2ccc(cc2)-c2ccsc2)(C1)[*:1]
Cc1n[nH]cc1C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC(C)C)C1 c1cc(cs1)[*:1] Cc1n[nH]cc1C(=O)N1CC[C@@](Cc2ccc(cc2)[*:1])(C1)C(=O)NC(C)C
C[C@@H]1Oc2ccc(NC(=O)c3ccccc3Cl)cc2CN(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)C[*:1] C[C@@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)c1ccccc1Cl
C[C@@H]1Oc2ccc(NC(=O)c3ccccc3Cl)cc2CN(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] C[C@@H]1Oc2ccc(cc2CN(C[*:1])C1=O)NC(=O)c1ccccc1Cl
C[C@@H]1Oc2ccc(NC(=O)c3ccccc3Cl)cc2CN(Cc2ccc(F)cc2)C1=O O=C(N[*:1])c1ccccc1Cl C[C@@H]1Oc2ccc(cc2CN(Cc2ccc(F)cc2)C1=O)[*:1]
C[C@@H]1Oc2ccc(NC(=O)c3ccccc3Cl)cc2CN(Cc2ccc(F)cc2)C1=O Clc1ccccc1[*:1] C[C@@H]1Oc2ccc(cc2CN(Cc2ccc(F)cc2)C1=O)NC(=O)[*:1]
O=C(NCCCO)NCCc1cccc2ccccc12 OCC[*:1] O=C(NCCc1cccc2ccccc12)NC[*:1]
O=C(NCCCO)NCCc1cccc2ccccc12 OCCC[*:1] O=C(NCCc1cccc2ccccc12)N[*:1]
CC(C)(C)C1CCN(S(=O)(=O)N2CCC(OCCCO)CC2)CC1 OCCCO[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N1CCC(CC1)[*:1]
CC(C)(C)C1CCN(S(=O)(=O)N2CCC(OCCCO)CC2)CC1 OCCC[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N1CCC(CC1)O[*:1]
CC(C)(C)C1CCN(S(=O)(=O)N2CCC(OCCCO)CC2)CC1 OCC[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N1CCC(CC1)OC[*:1]
CC(C)(C)C1CCN(S(=O)(=O)N2CCC(OCCCO)CC2)CC1 CC(C)(C)[*:1] O=S(=O)(N1CCC(CC1)OCCCO)N1CCC(CC1)[*:1]
C[C@@H](CCO)CNC(=O)NCC(C)(C)c1ccc(Cl)cc1 C[C@@H](CCO)[*:1] CC(C)(CNC(=O)NC[*:1])c1ccc(Cl)cc1
C[C@@H](CCO)CNC(=O)NCC(C)(C)c1ccc(Cl)cc1 C[C@@H](CCO)C[*:1] CC(C)(CNC(=O)N[*:1])c1ccc(Cl)cc1
C[C@@H](CCO)CNC(=O)NCC(C)(C)c1ccc(Cl)cc1 OCC[*:1] C[C@@H](CNC(=O)NCC(C)(C)c1ccc(Cl)cc1)[*:1]
C[C@@H](CCO)CNC(=O)NCC(C)(C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CCO)CNC(=O)NCC(C)(C)[*:1]
COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(OC)c1 O=C([O-])[*:1] COc1ccc(NS(=O)(=O)c2cc(cc(C)c2C)[*:1])c(c1)OC
O=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)NC2CC2)ccc1Br c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])c1cc(ccc1Br)S(=O)(=O)NC1CC1
O=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)NC2CC2)ccc1Br C1CC1[*:1] O=C(NCCc1c[nH]c2ccccc12)c1cc(ccc1Br)S(=O)(=O)N[*:1]
O=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)NC2CC2)ccc1Br O=S(=O)(NC1CC1)[*:1] O=C(NCCc1c[nH]c2ccccc12)c1cc(ccc1Br)[*:1]
CC[C@@H]1CCC[C@H](NC(=O)Nc2cccc(NC(C)=O)c2)C1 CC(=O)N[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)Nc1cccc(c1)[*:1]
CCN[C@@]1(C#N)CC[C@@H](OCC)C1 CCN[*:1] CCO[C@@H]1CC[C@](C#N)(C1)[*:1]
CCN[C@@]1(C#N)CC[C@@H](OCC)C1 CCO[*:1] CCN[C@@]1(C#N)CC[C@@H](C1)[*:1]
C[C@H](OC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCCO1 N#Cc1ccccc1[*:1] C[C@H](OC(=O)c1ccc(CO[*:1])o1)[C@H]1CCCO1
C[C@H](NC(=O)NCc1csc(Br)c1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](NC(=O)NCc1csc(Br)c1)[*:1]
C[C@H](NC(=O)NCc1csc(Br)c1)c1ccccn1 Brc1cc(cs1)[*:1] C[C@H](NC(=O)NC[*:1])c1ccccn1
COc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] c1ccc(nc1)[*:1] COc1ccc(cc1[N+](=O)[O-])CN[C@@H](c1ccccc1)[*:1]
COc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CN[C@@H](c1ccccc1)c1ccccn1
COc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] COc1ccc(cc1[N+](=O)[O-])CN[C@@H](c1ccccn1)[*:1]
Cc1ncsc1CN(C)[C@@H](C)Cc1ccc(O)cc1 Cc1ncsc1[*:1] C[C@@H](Cc1ccc(O)cc1)N(C)C[*:1]
COc1ccc(OC)c(NC(=O)COC(=O)c2sc(C)nc2C)c1 Cc1nc(C)c(s1)[*:1] COc1ccc(OC)c(c1)NC(=O)COC(=O)[*:1]
CC(C)[C@@H]1CC(=O)NC(=O)[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H]1CC(=O)NC(=O)[C@H]1C[*:1]
CC(C)[C@@H]1CC(=O)NC(=O)[C@H]1Cc1ccccc1 CC(C)[*:1] O=C1C[C@H]([C@H](Cc2ccccc2)C(=O)N1)[*:1]
CONC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CONC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CONC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 CONC(=O)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1Br)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1Br)[*:1]
C[C@H](NC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1Br)c1ccccc1 Brc1ccccc1[*:1] C[C@H](NC(=O)c1ccccc1NC(=S)NC(=O)[*:1])c1ccccc1
C[C@H](NC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1Br)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(NC(=S)Nc1ccccc1C(=O)N[*:1])c1ccccc1Br
COc1ccc(CNC(=O)C(=O)Nc2ccccc2C)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CNC(=O)C(=O)Nc1ccccc1C
COc1ccc(CNC(=O)C(=O)Nc2ccccc2C)cc1OC(F)F Cc1ccccc1[*:1] COc1ccc(cc1OC(F)F)CNC(=O)C(=O)N[*:1]
COc1ccc(CNC(=O)C(=O)Nc2ccccc2C)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CNC(=O)C(=O)Nc1ccccc1C
COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2nc3ccccc3s2)c1 c1ccc2sc(nc2c1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)N[*:1]
O=C(NC1(c2ccccc2)CCCC1)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(NC1(CCCC1)c1ccccc1)c1ccc(o1)[*:1]
O=C(NC1(c2ccccc2)CCCC1)c1ccc([N+](=O)[O-])o1 c1ccc(cc1)[*:1] O=C(NC1(CCCC1)[*:1])c1ccc(o1)[N+](=O)[O-]
COc1ccc([C@H](NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c2ccccc2)cc1 COc1ccc(cc1)[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)C(=O)N[C@H](c1ccccc1)[*:1]
COc1ccc([C@H](NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c2ccccc2)cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@H](NC(=O)[C@H]1CC(C)=C(C)C[C@H]1[*:1])c1ccccc1
COc1ccc([C@H](NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-])[*:1]
CCC([NH3+])(CC)C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] O=C([O-])[*:1] CCC([NH3+])(CC)C(=O)N1C[C@@H](O)C[C@@H]1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cnn(C)c2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)COC(=O)c2cnn(C)c2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cnn(C)c2)c1C Cn1cc(cn1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)COC(=O)[*:1])c1C
Cn1nccc1C[NH+](Cc1ccc2c(c1)OCO2)C1CCCCC1 C1CCC(CC1)[*:1] Cn1nccc1C[NH+](Cc1ccc2OCOc2c1)[*:1]
Cn1nccc1C[NH+](Cc1ccc2c(c1)OCO2)C1CCCCC1 Cn1nccc1C[*:1] c1cc2OCOc2cc1C[NH+](C1CCCCC1)[*:1]
Cn1nccc1C[NH+](Cc1ccc2c(c1)OCO2)C1CCCCC1 Cn1nccc1[*:1] c1cc2OCOc2cc1C[NH+](C[*:1])C1CCCCC1
COCc1ccccc1NCc1cccc(C(=O)N2CCCCC2)c1 COC[*:1] O=C(c1cccc(c1)CNc1ccccc1[*:1])N1CCCCC1
COCc1ccccc1NCc1cccc(C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] COCc1ccccc1NCc1cccc(c1)[*:1]
Cc1cc(C[NH+](Cc2cc(C)on2)C2CCC(C)CC2)no1 CC1CCC(CC1)[*:1] Cc1cc(C[NH+](Cc2cc(C)on2)[*:1])no1
Cc1cc(C[NH+](Cc2cc(C)on2)C2CCC(C)CC2)no1 Cc1cc(C[*:1])no1 Cc1cc(C[NH+](C2CCC(C)CC2)[*:1])no1
Cc1cc(C[NH+](Cc2cc(C)on2)C2CCC(C)CC2)no1 Cc1cc(no1)[*:1] Cc1cc(C[NH+](C[*:1])C2CCC(C)CC2)no1
CCC[NH2+][C@]1(CO)CC[C@H](Oc2ccccc2OC)C1 CCC[*:1] COc1ccccc1O[C@H]1CC[C@](CO)(C1)[NH2+][*:1]
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)CC1CCCC1)C2 CC(C)(C)[*:1] O=C(CC1CCCC1)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)CC1CCCC1)C2 C1CCC(C1)[*:1] CC(C)(C)n1nc2CN(Cc2c1-n1cccc1)C(=O)C[*:1]
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)CC1CCCC1)C2 C1CCC(C1)C[*:1] CC(C)(C)n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)CC1CCCC1)C2 c1ccn(c1)[*:1] CC(C)(C)n1nc2CN(Cc2c1[*:1])C(=O)CC1CCCC1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])N(Cc1ccccn1)[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1ccc(Br)cc1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])N(Cc1ccccn1)c1ccc(Br)cc1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1ccc(Br)cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(C=C[*:1])N(Cc1ccccn1)c1ccc(Br)cc1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1ccc(Br)cc1 c1ccc(nc1)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])N(C[*:1])c1ccc(Br)cc1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1ccc(Br)cc1 c1ccc(C[*:1])nc1 O=C(/C=C/c1cccc(c1)[N+](=O)[O-])N(c1ccc(Br)cc1)[*:1]
C[C@@H](CNC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(F)c(F)c1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N1CCO[C@@H](C1)[*:1])c1ccc(F)c(F)c1
C[C@@H](CNC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](CNC(=O)N1CCO[C@H](C1)c1ccccc1)[*:1]
C[C@@H](O)CNc1cc(N2CCC[C@@H]2CO)ncn1 C[C@@H](O)C[*:1] OC[C@H]1CCCN1c1cc(ncn1)N[*:1]
C[C@@H](O)CNc1cc(N2CCC[C@@H]2CO)ncn1 C[C@@H](O)[*:1] OC[C@H]1CCCN1c1cc(ncn1)NC[*:1]
C[C@@H](O)CNc1cc(N2CCC[C@@H]2CO)ncn1 C[C@@H](O)CN[*:1] OC[C@H]1CCCN1c1cc(ncn1)[*:1]
Fc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccco1)N2 c1coc(c1)[*:1] Fc1ccc2N[C@H]([C@@H]3CCO[C@@H]3c2c1)[*:1]
COc1ccc(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)c(OC)c1 NC(=O)[*:1] COc1ccc(NC(=O)CC[NH+]2CCC(CC2)[*:1])c(c1)OC
O=C(NCc1ccccc1F)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 Fc1ccccc1[*:1] O=C(NC[*:1])c1cccc(c1)OC1CCN(CC1)C(=O)C1CC1
O=C(NCc1ccccc1F)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 Fc1ccccc1C[*:1] O=C(N[*:1])c1cccc(c1)OC1CCN(CC1)C(=O)C1CC1
O=C(NCc1ccccc1F)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 C1CC1[*:1] O=C(NCc1ccccc1F)c1cccc(c1)OC1CCN(CC1)C(=O)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 CS(=O)(=O)[*:1] Fc1ccc(cc1)-c1n[nH]cc1C[NH2+][C@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)[NH2+]Cc1c[nH]nc1[*:1]
CC(=O)Cn1cnc2c(oc3nc(-c4ccccc4)cc(-c4ccccc4)c32)c1=O CC(=O)[*:1] O=c1c2oc3nc(cc(-c4ccccc4)c3c2ncn1C[*:1])-c1ccccc1
CC(=O)Cn1cnc2c(oc3nc(-c4ccccc4)cc(-c4ccccc4)c32)c1=O c1ccc(cc1)[*:1] CC(=O)Cn1cnc2c(oc3nc(cc(-c4ccccc4)c32)[*:1])c1=O
CC(=O)Cn1cnc2c(oc3nc(-c4ccccc4)cc(-c4ccccc4)c32)c1=O c1ccc(cc1)[*:1] CC(=O)Cn1cnc2c(oc3nc(cc(c32)[*:1])-c2ccccc2)c1=O
CC(=O)Cn1cnc2c(oc3nc(-c4ccccc4)cc(-c4ccccc4)c32)c1=O CC(=O)C[*:1] O=c1c2oc3nc(cc(-c4ccccc4)c3c2ncn1[*:1])-c1ccccc1
[NH3+]CCOc1ccc(NC(=O)c2ccccn2)cc1 [NH3+]CC[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccccn1
[NH3+]CCOc1ccc(NC(=O)c2ccccn2)cc1 [NH3+]CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccn1
[NH3+]CCOc1ccc(NC(=O)c2ccccn2)cc1 c1ccc(nc1)[*:1] [NH3+]CCOc1ccc(cc1)NC(=O)[*:1]
CC[C@H]1CCCC[C@H]1NC(=O)N(CCOC)Cc1ccco1 c1coc(c1)C[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N(CCOC)[*:1]
CC[C@H]1CCCC[C@H]1NC(=O)N(CCOC)Cc1ccco1 COC[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N(Cc1ccco1)C[*:1]
CC[C@H]1CCCC[C@H]1NC(=O)N(CCOC)Cc1ccco1 COCC[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N(Cc1ccco1)[*:1]
CC[C@H]1CCCC[C@H]1NC(=O)N(CCOC)Cc1ccco1 c1coc(c1)[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N(CCOC)C[*:1]
Cc1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c(F)c1 Cc1ccc(c(F)c1)[*:1] Cc1nc(cs1)COc1cccc(c1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c(F)c1 Cc1nc(cs1)C[*:1] Cc1ccc(NC(=O)c2cccc(c2)O[*:1])c(F)c1
Cc1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c(F)c1 Cc1nc(cs1)CO[*:1] Cc1ccc(NC(=O)c2cccc(c2)[*:1])c(F)c1
Cc1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c(F)c1 Cc1nc(cs1)[*:1] Cc1ccc(NC(=O)c2cccc(c2)OC[*:1])c(F)c1
COc1ccc(CCC(=O)N(C)Cc2ccc(O)cc2)cc1OC Oc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCC(=O)N(C)C[*:1]
COc1ccc(CCC(=O)N(C)Cc2ccc(O)cc2)cc1OC Oc1ccc(cc1)C[*:1] COc1ccc(cc1OC)CCC(=O)N(C)[*:1]
CS[C@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)C1 C[C@@H]1C[C@@H]1[*:1] CS[C@H]1CCC[C@H](C1)NC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1cc([N+](=O)[O-])cnc1Oc1cccc(Cl)c1C#N O=[N+]([O-])[*:1] Cc1cc(cnc1Oc1cccc(Cl)c1C#N)[*:1]
Cc1ccc([C@@H]2[C@H](C(=O)Nc3cnn(CCc4ccccc4)c3)CC(=O)N2C)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)[C@@H]1[C@@H](CC(=O)N1C)C(=O)Nc1cnn(c1)[*:1]
Cc1ccc([C@@H]2[C@H](C(=O)Nc3cnn(CCc4ccccc4)c3)CC(=O)N2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1[C@@H](CC(=O)N1C)C(=O)Nc1cnn(c1)CC[*:1]
Cc1ccc([C@@H]2[C@H](C(=O)Nc3cnn(CCc4ccccc4)c3)CC(=O)N2C)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)[C@@H]1[C@@H](CC(=O)N1C)C(=O)Nc1cnn(c1)C[*:1]
Cc1ccc([C@@H]2[C@H](C(=O)Nc3cnn(CCc4ccccc4)c3)CC(=O)N2C)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](C(=O)Nc2cnn(c2)CCc2ccccc2)[C@H]1[*:1]
CCCC(=O)N1CCc2[nH]nc(C(=O)NC[C@@H]3CCCO3)c2C1 CCC[*:1] O=C(NC[C@@H]1CCCO1)c1n[nH]c2CCN(Cc12)C(=O)[*:1]
CCCC(=O)N1CCc2[nH]nc(C(=O)NC[C@@H]3CCCO3)c2C1 C1CO[C@@H](C1)[*:1] CCCC(=O)N1CCc2[nH]nc(C(=O)NC[*:1])c2C1
CCCC(=O)N1CCc2[nH]nc(C(=O)NC[C@@H]3CCCO3)c2C1 C1CO[C@@H](C1)C[*:1] CCCC(=O)N1CCc2[nH]nc(C(=O)N[*:1])c2C1
C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1[*:1]
O=C(NCC1CC1)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1 C1CC1C[*:1] O=C(N[*:1])c1csc(n1)-c1cccc(c1)OCc1cccc(F)c1
O=C(NCC1CC1)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1 Fc1cccc(c1)[*:1] O=C(NCC1CC1)c1csc(n1)-c1cccc(c1)OC[*:1]
O=C(NCC1CC1)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1 Fc1cccc(c1)CO[*:1] O=C(NCC1CC1)c1csc(n1)-c1cccc(c1)[*:1]
O=C(NCC1CC1)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1 O=C(NCC1CC1)[*:1] Fc1cccc(c1)COc1cccc(c1)-c1nc(cs1)[*:1]
O=C(NCC1CC1)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1 C1CC1[*:1] O=C(NC[*:1])c1csc(n1)-c1cccc(c1)OCc1cccc(F)c1
O=C(NCC1CC1)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1 Fc1cccc(c1)C[*:1] O=C(NCC1CC1)c1csc(n1)-c1cccc(c1)O[*:1]
COc1ccc(OC)c(C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 O=C1OCCN1[*:1] COc1ccc(OC)c(c1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
COCCn1ccc2cc(NC(=O)c3cccs3)ccc21 c1csc(c1)[*:1] COCCn1ccc2cc(ccc21)NC(=O)[*:1]
COCCn1ccc2cc(NC(=O)c3cccs3)ccc21 COCC[*:1] O=C(Nc1ccc2c(ccn2[*:1])c1)c1cccs1
COCCn1ccc2cc(NC(=O)c3cccs3)ccc21 COC[*:1] O=C(Nc1ccc2c(ccn2C[*:1])c1)c1cccs1
Cc1cccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])Nc1cc(ncn1)N1CCOCC1
Cc1cccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)OCC(=O)Nc1cc(ncn1)[*:1]
Cc1cccc(OCC(=O)Nc2cc(N3CCOCC3)ncn2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])Nc1cc(ncn1)N1CCOCC1
C=CCNC(=O)NC(=O)CN1CCOC[C@@H]1C1CC1 C1CC1[*:1] C=CCNC(=O)NC(=O)CN1CCOC[C@H]1[*:1]
C=CCNC(=O)NC(=O)CN1CCOC[C@@H]1C1CC1 C=CC[*:1] O=C(CN1CCOC[C@@H]1C1CC1)NC(=O)N[*:1]
CC(C)C[NH2+]Cc1c[nH]nc1-c1c(Cl)nc2ccccn12 CC(C)[*:1] Clc1nc2ccccn2c1-c1n[nH]cc1C[NH2+]C[*:1]
CC(C)C[NH2+]Cc1c[nH]nc1-c1c(Cl)nc2ccccn12 CC(C)C[*:1] Clc1nc2ccccn2c1-c1n[nH]cc1C[NH2+][*:1]
O=C(CCCNC(=O)c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 c1ccc(cc1)[*:1] O=C(CCCNC(=O)[*:1])Nc1cccc(c1)-c1nnn[n-]1
CCN(Cc1cccc(NS(=O)(=O)c2cc(F)ccc2C)c1)C(C)=O CCN(C[*:1])C(C)=O Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(c1)[*:1]
CCN(Cc1cccc(NS(=O)(=O)c2cc(F)ccc2C)c1)C(C)=O Cc1ccc(F)cc1[*:1] CCN(Cc1cccc(c1)NS(=O)(=O)[*:1])C(C)=O
CCN(Cc1cccc(NS(=O)(=O)c2cc(F)ccc2C)c1)C(C)=O CCN(C(C)=O)[*:1] Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(c1)C[*:1]
Cc1ccc(NC(=O)N(CCO)C2CC2)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)N(CCO)C1CC1
Cc1ccc(NC(=O)N(CCO)C2CC2)cc1C(F)(F)F C1CC1[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)N(CCO)[*:1]
Cc1ccc(NC(=O)N(CCO)C2CC2)cc1C(F)(F)F OCC[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)N(C1CC1)[*:1]
CC(C)C[C@H](C(=O)Nc1cnn(C)c1)N1CCCCC1=O Cn1cc(cn1)[*:1] CC(C)C[C@H](C(=O)N[*:1])N1CCCCC1=O
CC(C)C[C@H](C(=O)Nc1cnn(C)c1)N1CCCCC1=O CC(C)C[*:1] Cn1cc(cn1)NC(=O)[C@H](N1CCCCC1=O)[*:1]
CC(C)C[C@H](C(=O)Nc1cnn(C)c1)N1CCCCC1=O CC(C)[*:1] Cn1cc(cn1)NC(=O)[C@@H](C[*:1])N1CCCCC1=O
CC(C)C[C@H](C(=O)Nc1cnn(C)c1)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@H](C(=O)Nc1cnn(C)c1)[*:1]
Cc1cc2ncc([C@@H](C)NCCc3c(F)cccc3Cl)c(C)n2n1 Fc1cccc(Cl)c1[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)NCC[*:1]
CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 c1ccc(cc1)[*:1] CCOc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1ccc2OCCOc2c1
CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 CCO[*:1] O=C(c1ccc2OCCOc2c1)N(Cc1ccccc1)c1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 c1cc2OCCOc2cc1[*:1] CCOc1ccc2nc(sc2c1)N(Cc1ccccc1)C(=O)[*:1]
CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 c1ccc(cc1)C[*:1] CCOc1ccc2nc(sc2c1)N(C(=O)c1ccc2OCCOc2c1)[*:1]
CCOCC[NH+](C)CC(=O)N1CCN(C(C)=O)CC1 CCOCC[*:1] CC(=O)N1CCN(CC1)C(=O)C[NH+](C)[*:1]
CCOCC[NH+](C)CC(=O)N1CCN(C(C)=O)CC1 CCO[*:1] CC(=O)N1CCN(CC1)C(=O)C[NH+](C)CC[*:1]
CCOCC[NH+](C)CC(=O)N1CCN(C(C)=O)CC1 CCOC[*:1] CC(=O)N1CCN(CC1)C(=O)C[NH+](C)C[*:1]
CSc1ccccc1C(=O)N1CC[NH+](Cc2nnnn2-c2ccc(C)cc2)CC1 CSc1ccccc1[*:1] Cc1ccc(cc1)-n1nnnc1C[NH+]1CCN(CC1)C(=O)[*:1]
CSc1ccccc1C(=O)N1CC[NH+](Cc2nnnn2-c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CSc1ccccc1C(=O)N1CC[NH+](CC1)Cc1nnnn1[*:1]
C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(Cl)cc1Cl C1CC(CCO1)[*:1] C[C@@H]([NH2+]C[C@H](O)[*:1])c1ccc(Cl)cc1Cl
COc1cccc(/C=C2\SC(=O)N(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)c1 COc1cccc(c1)[*:1] O=C(CCN1C(=O)SC(=C[*:1])C1=O)N[C@@H]1CCS(=O)(=O)C1
COCCOc1cccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 COCC[*:1] O=C(Nc1cccc(c1)O[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
COCCOc1cccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 COC[*:1] O=C(Nc1cccc(c1)OC[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
COCCOc1cccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 Clc1ccc(cc1)[*:1] COCCOc1cccc(c1)NC(=O)N1CCO[C@@H](C1)[*:1]
COCCOc1cccc(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 COCCO[*:1] O=C(Nc1cccc(c1)[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
CCN(CC(C)(C)O)C(=O)c1ccccc1COC COC[*:1] CCN(CC(C)(C)O)C(=O)c1ccccc1[*:1]
CCN(CC(C)(C)O)C(=O)c1ccccc1COC CC(C)(O)[*:1] CCN(C[*:1])C(=O)c1ccccc1COC
CCN(CC(C)(C)O)C(=O)c1ccccc1COC CC(C)(O)C[*:1] CCN(C(=O)c1ccccc1COC)[*:1]
C[S@@](=O)c1ccc(NC(=O)NC2CCCCC2)cc1 C[S@@](=O)[*:1] O=C(Nc1ccc(cc1)[*:1])NC1CCCCC1
C[S@@](=O)c1ccc(NC(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] C[S@@](=O)c1ccc(cc1)NC(=O)N[*:1]
CCC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] O=C([O-])[*:1] CCC[C@H](NC(=O)c1cc2ccccc2[nH]1)[*:1]
CCC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] CCC[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1cc2ccccc2[nH]1
Cc1ccc(C(=O)N2[C@H](C(=O)Nc3ccc(F)cc3)CS[C@@H]2c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)N1[C@@H](CS[C@H]1[*:1])C(=O)Nc1ccc(F)cc1
Cc1ccc(C(=O)N2[C@H](C(=O)Nc3ccc(F)cc3)CS[C@@H]2c2cccc(F)c2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1cccc(F)c1)C(=O)N[*:1]
Cc1ccc(C(=O)N2[C@H](C(=O)Nc3ccc(F)cc3)CS[C@@H]2c2cccc(F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)[C@@H]1CS[C@H](c2cccc(F)c2)N1C(=O)[*:1]
Cc1ccc(C(=O)N2[C@H](C(=O)Nc3ccc(F)cc3)CS[C@@H]2c2cccc(F)c2)cc1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccc(cc1)C(=O)N1[C@H](SC[C@@H]1[*:1])c1cccc(F)c1
O=c1c2ccccc2nnn1CC1(CO)COC1 OCC1(COC1)[*:1] O=c1c2ccccc2nnn1C[*:1]
CC1(C)CC(NC(=O)CSc2n[nH]c(N/N=C/c3cccs3)n2)CC(C)(C)[NH2+]1 c1csc(c1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)CSc1n[nH]c(n1)NN=C[*:1]
CC1(C)CC(NC(=O)CSc2n[nH]c(N/N=C/c3cccs3)n2)CC(C)(C)[NH2+]1 C(=N/N[*:1])\c1cccs1 CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)CSc1n[nH]c(n1)[*:1]
C[C@H](/N=C1\SCCN1C(=O)/C=C/c1ccco1)c1ccccc1 c1coc(c1)[*:1] C[C@H](/N=C1\SCCN1C(=O)C=C[*:1])c1ccccc1
C[C@H](/N=C1\SCCN1C(=O)/C=C/c1ccco1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](/N=C1\SCCN1C(=O)/C=C/c1ccco1)[*:1]
C[C@H](/N=C1\SCCN1C(=O)/C=C/c1ccco1)c1ccccc1 C(=C[*:1])c1ccco1 C[C@H](/N=C1\SCCN1C(=O)[*:1])c1ccccc1
CCC[C@@H](C(=O)NNC(=O)c1ccc(CC)cc1)c1ccccc1 CCC[*:1] CCc1ccc(cc1)C(=O)NNC(=O)[C@@H](c1ccccc1)[*:1]
CCC[C@@H](C(=O)NNC(=O)c1ccc(CC)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C(=O)NNC(=O)c1ccc(cc1)CC)[*:1]
CCC[C@@H](C(=O)NNC(=O)c1ccc(CC)cc1)c1ccccc1 CCc1ccc(cc1)[*:1] CCC[C@@H](C(=O)NNC(=O)[*:1])c1ccccc1
CN(C)c1ccc(C(=O)OCCn2ccccc2=O)c(F)c1 O=c1ccccn1[*:1] CN(C)c1ccc(C(=O)OCC[*:1])c(F)c1
CN(C)c1ccc(C(=O)OCCn2ccccc2=O)c(F)c1 CN(C)[*:1] O=C(OCCn1ccccc1=O)c1ccc(cc1F)[*:1]
Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H]2C(C)(C)O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cn1ccnc1C(=O)c1ccc(c(c1)[*:1])N1CCC[C@@H]1C(C)(C)O
Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H]2C(C)(C)O)c([N+](=O)[O-])c1 Cn1ccnc1[*:1] CC(C)(O)[C@H]1CCCN1c1ccc(cc1[N+](=O)[O-])C(=O)[*:1]
Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H]2C(C)(C)O)c([N+](=O)[O-])c1 CC(C)(O)[*:1] Cn1ccnc1C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCC[C@H]1[*:1]
Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H]2C(C)(C)O)c([N+](=O)[O-])c1 Cn1ccnc1C(=O)[*:1] CC(C)(O)[C@H]1CCCN1c1ccc(cc1[N+](=O)[O-])[*:1]
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](C)c1cccc(F)c1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1NC(=O)CN[C@H](C)c1cccc(F)c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](C)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)CN[C@H](C)[*:1])S(=O)(=O)N1CCCCC1
N#Cc1cn(Cc2ccccc2)c2ncc(C=O)cc12 c1ccc(cc1)[*:1] N#Cc1cn(C[*:1])c2ncc(C=O)cc12
CCO[C@H](NC(=O)c1ccccc1)c1cccc2ccccc12 c1ccc(cc1)[*:1] CCO[C@H](NC(=O)[*:1])c1cccc2ccccc12
CCO[C@H](NC(=O)c1ccccc1)c1cccc2ccccc12 CCO[*:1] O=C(N[C@H](c1cccc2ccccc12)[*:1])c1ccccc1
Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CCC[C@@H]1CN(Cc2nccs2)[C@H](C)CC[NH2+]1 CCC[*:1] C[C@@H]1CC[NH2+][C@@H](CN1Cc1nccs1)[*:1]
CCC[C@@H]1CN(Cc2nccs2)[C@H](C)CC[NH2+]1 c1csc(n1)[*:1] CCC[C@@H]1CN(C[*:1])[C@H](C)CC[NH2+]1
N#Cc1csc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1 N#Cc1csc(c1)[*:1] O=C1CCCCN1Cc1cccc(c1)NC(=O)[*:1]
N#Cc1csc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1 O=C1CCCCN1[*:1] N#Cc1csc(c1)C(=O)Nc1cccc(c1)C[*:1]
N#Cc1csc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1 O=C1CCCCN1C[*:1] N#Cc1csc(c1)C(=O)Nc1cccc(c1)[*:1]
CCC[C@@H]1C(=O)NCCN1c1nc(CC)ns1 CCC[*:1] CCc1nsc(n1)N1CCNC(=O)[C@H]1[*:1]
Cc1cn(CCC#N)c2ccccc12 N#CCC[*:1] Cc1cn(c2ccccc12)[*:1]
Cc1cn(CCC#N)c2ccccc12 N#CC[*:1] Cc1cn(C[*:1])c2ccccc12
C[C@H](Cc1cccs1)NC(=O)NCc1cccc(C[NH+](C)C)c1 c1csc(c1)C[*:1] C[C@H](NC(=O)NCc1cccc(c1)C[NH+](C)C)[*:1]
C[C@H](Cc1cccs1)NC(=O)NCc1cccc(C[NH+](C)C)c1 c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)NCc1cccc(c1)C[NH+](C)C
O=C(CSc1nc2ccccc2s1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(CS[*:1])N1CCC(CC1)C(=O)N1CCc2ccccc2C1
O=C(CSc1nc2ccccc2s1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 c1ccc2sc(nc2c1)S[*:1] O=C(C[*:1])N1CCC(CC1)C(=O)N1CCc2ccccc2C1
O=C(CCn1nnc2cc(-c3noc(Cc4ccc(Cl)cc4)n3)ccc21)N1CCCC1 O=C(N1CCCC1)[*:1] Clc1ccc(cc1)Cc1nc(no1)-c1ccc2c(c1)nnn2CC[*:1]
O=C(CCn1nnc2cc(-c3noc(Cc4ccc(Cl)cc4)n3)ccc21)N1CCCC1 O=C(CC[*:1])N1CCCC1 Clc1ccc(cc1)Cc1nc(no1)-c1ccc2c(c1)nnn2[*:1]
O=C(CCn1nnc2cc(-c3noc(Cc4ccc(Cl)cc4)n3)ccc21)N1CCCC1 Clc1ccc(cc1)[*:1] O=C(CCn1nnc2cc(ccc21)-c1noc(C[*:1])n1)N1CCCC1
O=C(CCn1nnc2cc(-c3noc(Cc4ccc(Cl)cc4)n3)ccc21)N1CCCC1 O=C(C[*:1])N1CCCC1 Clc1ccc(cc1)Cc1nc(no1)-c1ccc2c(c1)nnn2C[*:1]
O=C(CCn1nnc2cc(-c3noc(Cc4ccc(Cl)cc4)n3)ccc21)N1CCCC1 Clc1ccc(cc1)C[*:1] O=C(CCn1nnc2cc(ccc21)-c1noc(n1)[*:1])N1CCCC1
CC(C)CC[NH+](C)Cc1nc(N)c2ccccc2n1 CC(C)C[*:1] C[NH+](Cc1nc(N)c2ccccc2n1)C[*:1]
CC(C)CC[NH+](C)Cc1nc(N)c2ccccc2n1 CC(C)CC[*:1] C[NH+](Cc1nc(N)c2ccccc2n1)[*:1]
CC(C)CC[NH+](C)Cc1nc(N)c2ccccc2n1 CC(C)[*:1] C[NH+](CC[*:1])Cc1nc(N)c2ccccc2n1
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc3c(c2)OCO3)c1 CCN(CC)S(=O)(=O)[*:1] O=C(Oc1ccc2OCOc2c1)c1cc(ccc1Cl)[*:1]
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1[*:1] CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)O[*:1]
O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@H]1[*:1]
O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F C(=C[*:1])c1ccccc1 O=C1C(O)=C(C(=O)[*:1])[C@@H](c2ccccc2F)N1c1ccccc1
O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F O=C(/C=C/c1ccccc1)[*:1] O=C1C(O)=C([C@@H](c2ccccc2F)N1c1ccccc1)[*:1]
O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F c1ccc(cc1)[*:1] O=C(C=C[*:1])C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F
O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F c1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N([C@@H]1c1ccccc1F)[*:1]
CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc3c(c2)CCC(=O)N3)s1 CC(C)(C)[*:1] O=C(/C=C/c1cnc(s1)[*:1])Nc1ccc2NC(=O)CCc2c1
Cc1c(C(=O)N[C@H](CO)CC(C)(C)C)cccc1N1CCNC1=O CC(C)(C)C[*:1] Cc1c(cccc1N1CCNC1=O)C(=O)N[C@H](CO)[*:1]
Cc1c(C(=O)N[C@H](CO)CC(C)(C)C)cccc1N1CCNC1=O CC(C)(C)[*:1] Cc1c(cccc1N1CCNC1=O)C(=O)N[C@H](CO)C[*:1]
Cc1c(C(=O)N[C@H](CO)CC(C)(C)C)cccc1N1CCNC1=O O=C1NCCN1[*:1] Cc1c(cccc1[*:1])C(=O)N[C@H](CO)CC(C)(C)C
O=C([O-])CC[C@@H]1COc2ccc(Br)cc2C1=O O=C([O-])CC[*:1] O=C1c2cc(Br)ccc2OC[C@H]1[*:1]
O=C([O-])CC[C@@H]1COc2ccc(Br)cc2C1=O O=C([O-])C[*:1] O=C1c2cc(Br)ccc2OC[C@H]1C[*:1]
O=C([O-])CC[C@@H]1COc2ccc(Br)cc2C1=O O=C([O-])[*:1] O=C1c2cc(Br)ccc2OC[C@H]1CC[*:1]
CC[C@@H](NC(=O)CCc1ccccc1Cl)C(=O)N1CCOCC1 Clc1ccccc1[*:1] CC[C@@H](NC(=O)CC[*:1])C(=O)N1CCOCC1
Cn1cnc(S(=O)(=O)NCC(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 Cn1cnc(c1)[*:1] O=C(CNS(=O)(=O)[*:1])N1CC[C@@H]2CCCC[C@@H]21
Cc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)s1 Cc1ccc(s1)[*:1] CN1C(=O)C[C@H](C(=O)NC[*:1])[C@H]1c1cccnc1
Cc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)s1 c1cncc(c1)[*:1] Cc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2[*:1])s1
Cc1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)s1 Cc1ccc(C[*:1])s1 CN1C(=O)C[C@H](C(=O)N[*:1])[C@H]1c1cccnc1
Cc1cc(NC(=O)N[C@@H]2CCCn3c(C)nnc32)on1 Cc1cc(on1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N[*:1]
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCC#N)C1=O CCC[*:1] N#CCCN1C(=O)N[C@](C[*:1])(C1=O)c1ccc(F)cc1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCC#N)C1=O Fc1ccc(cc1)[*:1] CCCC[C@]1(NC(=O)N(CCC#N)C1=O)[*:1]
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCC#N)C1=O CCCC[*:1] N#CCCN1C(=O)N[C@@](C1=O)(c1ccc(F)cc1)[*:1]
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCC#N)C1=O N#CC[*:1] CCCC[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCC#N)C1=O N#CCC[*:1] CCCC[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(F)cc1
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C1CC1)[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](c1ccccc1)[*:1]
CC(=O)N[C@@H](C(=O)NCc1csc(-c2ccccc2)n1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)NCc1csc(n1)-c1ccccc1)[*:1]
CC(=O)N[C@@H](C(=O)NCc1csc(-c2ccccc2)n1)C(C)C c1ccc(cc1)[*:1] CC(=O)N[C@@H](C(=O)NCc1csc(n1)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)NCc1csc(-c2ccccc2)n1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)NCc1csc(n1)-c1ccccc1)[*:1]
CCC(CC)[C@H](CNC(=O)Nc1ccc2c(c1)OCO2)[NH+](C)C CCC(CC)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1ccc2OCOc2c1)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O O=[N+]([O-])[*:1] C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CN1C(=O)c2cccc(c2C1=O)[*:1]
CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccsc1)C(=O)[O-] CC(C)C[*:1] C[C@H](NC(=O)NC[C@H](C(=O)[O-])[*:1])c1ccsc1
CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccsc1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccsc1)[*:1]
CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccsc1)C(=O)[O-] c1cc(cs1)[*:1] CC(C)C[C@H](CNC(=O)N[C@@H](C)[*:1])C(=O)[O-]
CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccsc1)C(=O)[O-] CC(C)[*:1] C[C@H](NC(=O)NC[C@@H](C[*:1])C(=O)[O-])c1ccsc1
CCC[C@H]1CC[C@@H](O)[C@H]([C@@H]2CCO[C@]3(CCOC3)C2)C1 CCC[*:1] O[C@@H]1CC[C@@H](C[C@H]1[C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C(C)(C)Oc1ccc(Cl)cc1
Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1S(N)(=O)=O Clc1ccc(cc1)[*:1] Cc1ccc(cc1S(N)(=O)=O)NC(=O)C(C)(C)O[*:1]
Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1S(N)(=O)=O Clc1ccc(cc1)O[*:1] Cc1ccc(cc1S(N)(=O)=O)NC(=O)C(C)(C)[*:1]
CN(CCCCc1ccccc1)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 c1ccc(cc1)[*:1] CN(CCCC[*:1])C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
CN(CCCCc1ccccc1)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 c1ccc(cc1)C[*:1] CN(CCC[*:1])C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
CNc1cc(C)ccc1C(=O)N[C@@H](c1cccs1)C(C)C c1csc(c1)[*:1] CNc1cc(C)ccc1C(=O)N[C@@H](C(C)C)[*:1]
CNc1cc(C)ccc1C(=O)N[C@@H](c1cccs1)C(C)C CC(C)[*:1] CNc1cc(C)ccc1C(=O)N[C@@H](c1cccs1)[*:1]
C[C@H]1[C@H](/C=N/NC(=O)[C@@H]2C=C(c3ccc4ccccc4c3)N=N2)[C@@H](C)NN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1[C@H](/C=N/NC(=O)[C@@H]2C=C(N=N2)c2ccc3ccccc3c2)[C@@H](C)NN1[*:1]
C[C@H]1[C@H](/C=N/NC(=O)[C@@H]2C=C(c3ccc4ccccc4c3)N=N2)[C@@H](C)NN1c1ccccc1 c1ccc2cc(ccc2c1)[*:1] C[C@H]1[C@H](/C=N/NC(=O)[C@@H]2C=C(N=N2)[*:1])[C@@H](C)NN1c1ccccc1
CN(C)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 CN(C)[*:1] O=C(Nc1ccc(F)c(Cl)c1)c1ccc(cc1)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)C(=O)c1cccc(Cl)c1Cl
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 Clc1cccc(c1Cl)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(c1cccc(Cl)c1Cl)N1CCN(CC1)C(=O)[*:1]
Fc1ccc(F)c2c1CCN(C/C=C/Cl)C2 ClC=C[*:1] Fc1ccc(F)c2CN(CCc12)C[*:1]
Fc1ccc(F)c2c1CCN(C/C=C/Cl)C2 Cl/C=C/C[*:1] Fc1ccc(F)c2CN(CCc12)[*:1]
CCc1ocnc1C(=O)N1CCO[C@@H](CCCC(C)C)C1 CC(C)C[*:1] CCc1ocnc1C(=O)N1CCO[C@@H](CC[*:1])C1
CCc1ocnc1C(=O)N1CCO[C@@H](CCCC(C)C)C1 CC(C)[*:1] CCc1ocnc1C(=O)N1CCO[C@@H](CCC[*:1])C1
CCc1ocnc1C(=O)N1CCO[C@@H](CCCC(C)C)C1 CC(C)CC[*:1] CCc1ocnc1C(=O)N1CCO[C@H](C1)C[*:1]
CCc1ocnc1C(=O)N1CCO[C@@H](CCCC(C)C)C1 CCc1ocnc1[*:1] CC(C)CCC[C@H]1CN(CCO1)C(=O)[*:1]
CCc1ocnc1C(=O)N1CCO[C@@H](CCCC(C)C)C1 CC(C)CCC[*:1] CCc1ocnc1C(=O)N1CCO[C@@H](C1)[*:1]
CC[C@@H](C)NC(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1 CC[C@@H](C)[*:1] COc1cccc(c1)-c1noc(n1)[C@H](C)NC(=O)N[*:1]
CC(C)CN1C[C@@H](C(=O)NCc2ccccc2-n2ccnc2)CC1=O c1cn(cn1)[*:1] CC(C)CN1C[C@H](CC1=O)C(=O)NCc1ccccc1[*:1]
CC(C)CN1C[C@@H](C(=O)NCc2ccccc2-n2ccnc2)CC1=O CC(C)C[*:1] O=C(NCc1ccccc1-n1ccnc1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)CN1C[C@@H](C(=O)NCc2ccccc2-n2ccnc2)CC1=O CC(C)[*:1] O=C(NCc1ccccc1-n1ccnc1)[C@H]1CC(=O)N(C1)C[*:1]
C[C@H](O)C[C@H](C)CNC(=O)COc1cc(Cl)cc(Cl)c1 C[C@H](O)[*:1] C[C@H](CNC(=O)COc1cc(Cl)cc(Cl)c1)C[*:1]
C[C@H](O)C[C@H](C)CNC(=O)COc1cc(Cl)cc(Cl)c1 C[C@H](O)C[*:1] C[C@H](CNC(=O)COc1cc(Cl)cc(Cl)c1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)c2ccc3c(c2O)OC(C)(C)C3)c1 CC(=O)N(C)[*:1] CC1(C)Cc2ccc(C(=O)Nc3cccc(c3)[*:1])c(O)c2O1
CCCn1nc(C)c(C(=O)N2CCC[C@@H]([C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)c1C CCC[*:1] Cc1nn(c(C)c1C(=O)N1CCC[C@H](C1)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[*:1]
CCCn1nc(C)c(C(=O)N2CCC[C@@H]([C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)c1C CCCn1nc(C)c(c1C)[*:1] O=C(N1CCC[C@H](C1)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[*:1]
CN(C(=O)CS[C@@H]1N=NC(=O)NC1=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CS[C@@H]1N=NC(=O)NC1=O)[*:1]
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccn(COc2cccc(Cl)c2Cl)n1 Clc1cccc(c1Cl)[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)c1ccn(CO[*:1])n1
O=C(Nc1cccc(CSc2ccccn2)c1)c1cc2c([nH]c1=O)CCCC2 c1ccc(nc1)[*:1] O=C(Nc1cccc(c1)CS[*:1])c1cc2CCCCc2[nH]c1=O
O=C(Nc1cccc(CSc2ccccn2)c1)c1cc2c([nH]c1=O)CCCC2 c1ccc(nc1)S[*:1] O=C(Nc1cccc(c1)C[*:1])c1cc2CCCCc2[nH]c1=O
O=C(Nc1cccc(CSc2ccccn2)c1)c1cc2c([nH]c1=O)CCCC2 c1ccc(nc1)SC[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2CCCCc2[nH]c1=O
CC(C)[NH2+]C[C@H](Cc1nccs1)c1ccccc1Cl c1csc(C[*:1])n1 CC(C)[NH2+]C[C@H](c1ccccc1Cl)[*:1]
CC(C)[NH2+]C[C@H](Cc1nccs1)c1ccccc1Cl c1csc(n1)[*:1] CC(C)[NH2+]C[C@H](C[*:1])c1ccccc1Cl
CC(C)[NH2+]C[C@H](Cc1nccs1)c1ccccc1Cl CC(C)[*:1] Clc1ccccc1[C@H](C[NH2+][*:1])Cc1nccs1
N#CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1 c1coc(c1)C[*:1] N#CCSc1nnc(-c2cccc(c2)S(=O)(=O)N2CCOCC2)n1[*:1]
N#CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1 c1coc(c1)[*:1] N#CCSc1nnc(-c2cccc(c2)S(=O)(=O)N2CCOCC2)n1C[*:1]
N#CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1 N#CCS[*:1] O=S(=O)(c1cccc(c1)-c1nnc(n1Cc1ccco1)[*:1])N1CCOCC1
N#CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1 N#CC[*:1] O=S(=O)(c1cccc(c1)-c1nnc(S[*:1])n1Cc1ccco1)N1CCOCC1
N#CCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccco1 O=S(=O)(N1CCOCC1)[*:1] N#CCSc1nnc(-c2cccc(c2)[*:1])n1Cc1ccco1
CCOCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CCOCCn1/c(=N/C(=O)c2ccc(cc2)[N+](=O)[O-])sc2cc(ccc21)[*:1]
CCOCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc([N+](=O)[O-])ccc21 CCO[*:1] O=C(/N=c1\sc2cc(ccc2n1CC[*:1])[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
CCOCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CCOCCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cc(ccc21)[N+](=O)[O-]
CCOCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc([N+](=O)[O-])ccc21 CCOC[*:1] O=C(/N=c1\sc2cc(ccc2n1C[*:1])[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
CCOCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc([N+](=O)[O-])ccc21 CCOCC[*:1] O=C(/N=c1\sc2cc(ccc2n1[*:1])[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
CCOCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])c1ccc(cc1)[*:1] CCOCCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)[N+](=O)[O-]
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)c1cccc(c1)C(F)(F)F
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] Cc1cc(ccc1[N+](=O)[O-])[*:1] O=C(NC[C@@H](O)c1cccc(c1)C(F)(F)F)[C@H]1CCCN1C(=O)[*:1]
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] FC(F)(F)c1cccc(c1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)[*:1]
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)c1cccc(c1)[*:1]
CCOC(=O)[C@H](C)NC(=O)N/C=C(\[O-])N1CCc2ccccc21 CCOC(=O)[C@H](C)[*:1] O=C(N/C=C(\[O-])N1CCc2ccccc21)N[*:1]
CCOC(=O)[C@H](C)NC(=O)N/C=C(\[O-])N1CCc2ccccc21 CCOC(=O)[*:1] C[C@H](NC(=O)N/C=C(\[O-])N1CCc2ccccc21)[*:1]
Cc1cc(C(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)no1 Cc1cc(no1)[*:1] O=C(NCc1cc(-c2ccccn2)n(n1)C1CCCC1)[*:1]
Cc1cc(C(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)no1 c1ccc(nc1)[*:1] Cc1cc(no1)C(=O)NCc1cc(n(n1)C1CCCC1)[*:1]
Cc1cc(C(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)no1 C1CCC(C1)[*:1] Cc1cc(no1)C(=O)NCc1cc(-c2ccccn2)n(n1)[*:1]
O=C(CSc1nccn1C1CC1)Nc1cc([N+](=O)[O-])ccc1F C1CC1[*:1] O=C(CSc1nccn1[*:1])Nc1cc(ccc1F)[N+](=O)[O-]
O=C(CSc1nccn1C1CC1)Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] O=C(CSc1nccn1C1CC1)Nc1cc(ccc1F)[*:1]
CC[C@@H](NC(=O)/C=C/c1cc(Cl)ccc1OC)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)/C=C/c1cc(Cl)ccc1OC)[*:1]
COc1ccc(-c2nc(NC(=O)c3cc(OC)cc(OC)c3)sc2C)cc1 COc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)Nc1nc(c(C)s1)[*:1])OC
COc1ccc(CC2(CO)CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 FC(F)(F)c1cccc(c1)[*:1] COc1ccc(cc1)CC1(CO)CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(CC2(CO)CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CC1(CO)CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
COc1ccc(CC2(CO)CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(c1cccc(c1)C(F)(F)F)N1CCC(CO)(CC1)C[*:1]
COc1ccc(CC2(CO)CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 COc1ccc(cc1)C[*:1] O=S(=O)(c1cccc(c1)C(F)(F)F)N1CCC(CO)(CC1)[*:1]
O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NC1CCCC1 c1ccc(cc1)O[*:1] O=C(COC(=O)c1cccc(c1)[*:1])NC1CCCC1
O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NC1CCCC1 C1CCC(C1)[*:1] O=C(COC(=O)c1cccc(c1)Oc1ccccc1)N[*:1]
O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NC1CCCC1 c1ccc(cc1)[*:1] O=C(COC(=O)c1cccc(c1)O[*:1])NC1CCCC1
O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C(OC[*:1])c1cccc(c1)Oc1ccccc1
Clc1ccc2nc(CSc3nnnn3C[C@@H]3CCCO3)cn2c1 C1CO[C@@H](C1)[*:1] Clc1ccc2nc(cn2c1)CSc1nnnn1C[*:1]
Clc1ccc2nc(CSc3nnnn3C[C@@H]3CCCO3)cn2c1 C1CO[C@@H](C1)C[*:1] Clc1ccc2nc(cn2c1)CSc1nnnn1[*:1]
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1)C(=O)Nc1cc(ccc1Cl)[*:1]
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cc(ccc1Cl)S(=O)(=O)N1CCCC1)[*:1]
COc1cc2c(cc1OC)[C@H](c1cc(Br)ccc1F)N(C(=O)CCl)CC2 Fc1ccc(Br)cc1[*:1] COc1cc2CCN(C(=O)CCl)[C@@H](c2cc1OC)[*:1]
CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] CN(C(=O)c1cn(nn1)-c1cccc(c1)[N+](=O)[O-])[*:1]
CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(Cl)cn1 O=[N+]([O-])[*:1] CN(C(=O)c1cn(nn1)-c1cccc(c1)[*:1])c1ccc(Cl)cn1
COC(=O)Cn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cc(S(N)(=O)=O)ccc21 c1ccc(cc1)[*:1] COC(=O)Cn1/c(=N/C(=O)C(c2ccccc2)[*:1])sc2cc(ccc21)S(N)(=O)=O
COC(=O)Cn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cc(S(N)(=O)=O)ccc21 COC(=O)[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)C(c1ccccc1)c1ccccc1)n2C[*:1]
COC(=O)Cn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cc(S(N)(=O)=O)ccc21 COC(=O)C[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)C(c1ccccc1)c1ccccc1)n2[*:1]
COC(=O)Cn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] COC(=O)Cn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cc(ccc21)[*:1]
Cc1cc(NC(=O)N(Cc2ccncc2)Cc2cccnc2)ccc1F c1cc(ccn1)C[*:1] Cc1cc(ccc1F)NC(=O)N(Cc1cccnc1)[*:1]
Cc1cc(NC(=O)N(Cc2ccncc2)Cc2cccnc2)ccc1F Cc1cc(ccc1F)[*:1] O=C(N[*:1])N(Cc1ccncc1)Cc1cccnc1
Cc1cc(NC(=O)N(Cc2ccncc2)Cc2cccnc2)ccc1F c1cncc(c1)[*:1] Cc1cc(ccc1F)NC(=O)N(Cc1ccncc1)C[*:1]
Cc1cc(NC(=O)N(Cc2ccncc2)Cc2cccnc2)ccc1F c1cc(ccn1)[*:1] Cc1cc(ccc1F)NC(=O)N(Cc1cccnc1)C[*:1]
Cc1cc(NC(=O)N(Cc2ccncc2)Cc2cccnc2)ccc1F c1cncc(c1)C[*:1] Cc1cc(ccc1F)NC(=O)N(Cc1ccncc1)[*:1]
CC[C@@H](C)N1C(=O)c2ccc(C(=O)[O-])cc2S1(=O)=O CC[C@@H](C)[*:1] O=C([O-])c1ccc2C(=O)N(S(=O)(=O)c2c1)[*:1]
CC[C@@H](C)N1C(=O)c2ccc(C(=O)[O-])cc2S1(=O)=O O=C([O-])[*:1] CC[C@@H](C)N1C(=O)c2ccc(cc2S1(=O)=O)[*:1]
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1Br O=S(=O)(N1CCOCC1)[*:1] O=C(CCc1ccc(cc1)[*:1])Nc1ccccc1Br
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(CCc1ccc(cc1)S(=O)(=O)N1CCOCC1)N[*:1]
CCN/C(=[NH+]/CCOC)N1C[C@@H](C)C[C@@H](C)C1 COC[*:1] CCN/C(=[NH+]/C[*:1])N1C[C@@H](C)C[C@@H](C)C1
CCN/C(=[NH+]/CCOC)N1C[C@@H](C)C[C@@H](C)C1 COCC[*:1] CCNC(=[NH+][*:1])N1C[C@@H](C)C[C@@H](C)C1
Cc1cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)[nH]1 Cc1cc(c(C)[nH]1)[*:1] O=C(Cn1cnc2cc(F)ccc2c1=O)[*:1]
C=CCCCN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C C=CCC[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C[*:1])S(C)(=O)=O
C=CCCCN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C C=CCCC[*:1] Cc1ccc(cc1S(=O)(=O)N(C)[*:1])S(C)(=O)=O
C=CCCCN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C C=CC[*:1] Cc1ccc(cc1S(=O)(=O)N(C)CC[*:1])S(C)(=O)=O
C=CCCCN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C CS(=O)(=O)[*:1] C=CCCCN(C)S(=O)(=O)c1cc(ccc1C)[*:1]
CC(C)CN1CCO[C@@H](COC(=O)c2ccc(-n3cccc3)nc2)C1 CC(C)[*:1] O=C(OC[C@H]1CN(CCO1)C[*:1])c1ccc(nc1)-n1cccc1
CC(C)CN1CCO[C@@H](COC(=O)c2ccc(-n3cccc3)nc2)C1 c1ccn(c1)[*:1] CC(C)CN1CCO[C@@H](COC(=O)c2ccc(nc2)[*:1])C1
CC(C)CN1CCO[C@@H](COC(=O)c2ccc(-n3cccc3)nc2)C1 CC(C)C[*:1] O=C(OC[C@H]1CN(CCO1)[*:1])c1ccc(nc1)-n1cccc1
NC(=[NH2+])[C@H](NC(=O)N1CCCCCC1)c1ccccc1 c1ccc(cc1)[*:1] NC(=[NH2+])[C@H](NC(=O)N1CCCCCC1)[*:1]
CCOC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc(OC)cc4)cn3c2C)cc1 COc1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1sc2nc(cn2c1C)[*:1]
CCOC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc(OC)cc4)cn3c2C)cc1 CCOC(=O)[*:1] COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)CCCNC(=O)c1ccco1
Cc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1S(C)(=O)=O c1coc(c1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)CCCNC(=O)[*:1]
Cc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1S(C)(=O)=O O=C(N[*:1])c1ccco1 Cc1ccc(cc1S(C)(=O)=O)NC(=O)CCC[*:1]
C[C@H]([NH2+]CC1(CO)COC1)c1ccc(F)cc1F OCC1(COC1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(F)cc1F
Cc1nc(COc2ccc(-c3nc4cc(Br)ccc4n3C)cc2)no1 Cc1nc(no1)[*:1] Cn1c(nc2cc(Br)ccc21)-c1ccc(cc1)OC[*:1]
Cc1nc(COc2ccc(-c3nc4cc(Br)ccc4n3C)cc2)no1 Cc1nc(C[*:1])no1 Cn1c(nc2cc(Br)ccc21)-c1ccc(cc1)O[*:1]
Cc1nc(COc2ccc(-c3nc4cc(Br)ccc4n3C)cc2)no1 Cc1nc(CO[*:1])no1 Cn1c(nc2cc(Br)ccc21)-c1ccc(cc1)[*:1]
CCN(C(=O)N[C@@H]1CCOC1)[C@H]1COC[C@H]1C(=O)[O-] O=C([O-])[*:1] CCN(C(=O)N[C@@H]1CCOC1)[C@H]1COC[C@@H]1[*:1]
CCN(C(=O)N[C@@H]1CCOC1)[C@H]1COC[C@H]1C(=O)[O-] C1C[C@H](CO1)[*:1] CCN(C(=O)N[*:1])[C@H]1COC[C@H]1C(=O)[O-]
CCc1ccccc1NC(=O)[C@H](C)Sc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)[C@H](C)S[*:1]
O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H]1Cc2cccc(F)c2O1 C1CC(CCO1)[*:1] O=C(Nc1cc([nH]n1)[*:1])[C@H]1Cc2cccc(F)c2O1
CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C CCC(=O)N[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1C)[*:1]
CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C CC(=O)N[*:1] CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(cc2)[*:1])c1C
C[C@H](CCCO)NC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 OCC[*:1] C[C@H](C[*:1])NC(=O)Nc1ccc(c(F)c1)N(C)C1CCCCC1
C[C@H](CCCO)NC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 C1CCC(CC1)[*:1] C[C@H](CCCO)NC(=O)Nc1ccc(c(F)c1)N(C)[*:1]
C[C@H](CCCO)NC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 CN(C1CCCCC1)[*:1] C[C@H](CCCO)NC(=O)Nc1ccc(c(F)c1)[*:1]
C[C@H](CCCO)NC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 OCCC[*:1] C[C@H](NC(=O)Nc1ccc(c(F)c1)N(C)C1CCCCC1)[*:1]
CCOc1ccccc1/C=C/C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 CCO[*:1] C[NH+]1CCN(CC1)C(=O)CC1CCN(CC1)C(=O)/C=C/c1ccccc1[*:1]
CCOc1ccccc1/C=C/C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 CCOc1ccccc1[*:1] C[NH+]1CCN(CC1)C(=O)CC1CCN(CC1)C(=O)C=C[*:1]
Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)[C@@H](C)C(C)C)cc1Cl CC(C)[C@H](C)[*:1] Cc1ccc(cc1Cl)NC(=O)[C@@H](C)[S@@](=O)[*:1]
Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)[C@@H](C)C(C)C)cc1Cl CC(C)[*:1] Cc1ccc(cc1Cl)NC(=O)[C@@H](C)[S@@](=O)[C@@H](C)[*:1]
COCCc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 COC[*:1] O=S(=O)(Oc1ccc(cc1)C[*:1])c1ccc(F)cc1
COCCc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COCCc1ccc(cc1)OS(=O)(=O)[*:1]
COCCc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 COCC[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccc(F)cc1
CCC[NH2+]C[C@H](Cc1ncnn1C)c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)[C@H](C[NH2+][*:1])Cc1ncnn1C
CCC[NH2+]C[C@H](Cc1ncnn1C)c1ccc(C)cc1 Cn1ncnc1[*:1] CCC[NH2+]C[C@H](C[*:1])c1ccc(C)cc1
COCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3cccc(C)n3)n2)C1 Cc1cccc(n1)N[*:1] COCC(=O)N1CCC[C@H](C1)c1nc(C)cc(n1)[*:1]
COCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3cccc(C)n3)n2)C1 Cc1cccc(n1)[*:1] COCC(=O)N1CCC[C@H](C1)c1nc(C)cc(n1)N[*:1]
COCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3cccc(C)n3)n2)C1 COC[*:1] Cc1cccc(n1)Nc1cc(C)nc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)[C@]1(C)C[NH+]=C(N)N1c1cccc(Br)c1 CC(C)[*:1] C[C@@]1(C[NH+]=C(N)N1c1cccc(Br)c1)[*:1]
Cn1cc(C(=O)NCc2ccc(C(=O)NCc3ccccc3)cc2)c(=O)c2cccn21 c1ccc(cc1)C[*:1] Cn1cc(C(=O)NCc2ccc(cc2)C(=O)N[*:1])c(=O)c2cccn21
Cn1cc(C(=O)NCc2ccc(C(=O)NCc3ccccc3)cc2)c(=O)c2cccn21 c1ccc(cc1)[*:1] Cn1cc(C(=O)NCc2ccc(cc2)C(=O)NC[*:1])c(=O)c2cccn21
Cn1cc(C(=O)NCc2ccc(C(=O)NCc3ccccc3)cc2)c(=O)c2cccn21 O=C(NCc1ccccc1)[*:1] Cn1cc(C(=O)NCc2ccc(cc2)[*:1])c(=O)c2cccn21
CCCn1nnnc1CS(=O)(=O)C[C@@H](C)CC CC[C@H](C)[*:1] CCCn1nnnc1CS(=O)(=O)C[*:1]
CCCn1nnnc1CS(=O)(=O)C[C@@H](C)CC CCC[*:1] CC[C@H](C)CS(=O)(=O)Cc1nnnn1[*:1]
CCCn1nnnc1CS(=O)(=O)C[C@@H](C)CC CC[C@H](C)C[*:1] CCCn1nnnc1CS(=O)(=O)[*:1]
CNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 C1CC1[*:1] CNC(=O)C(=O)Nc1cccc(c1)-c1nnnn1[*:1]
CNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 CNC(=O)C(=O)N[*:1] c1cc(cc(c1)[*:1])-c1nnnn1C1CC1
CCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 CCCC(=O)N[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 CCC[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cccc(c1)NC(=O)[*:1]
CCn1c(Sc2cnn(C)c(=O)c2Cl)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])Sc1cnn(C)c(=O)c1Cl
Cc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccccc2)s1 Cc1ccccc1[*:1] O=C(Cc1nnc(NC(=O)c2ccccc2)s1)NN=C[*:1]
Cc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccccc2)s1 O=C(N[*:1])c1ccccc1 Cc1ccccc1/C=N/NC(=O)Cc1nnc(s1)[*:1]
Cc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)[*:1])s1
O=C(CC1CCCC1)N1CCC[C@H]1[C@H]1CCC[C@@H]1O C1CCC(C1)C[*:1] O=C(N1CCC[C@H]1[C@H]1CCC[C@@H]1O)[*:1]
O=C(CC1CCCC1)N1CCC[C@H]1[C@H]1CCC[C@@H]1O O[C@H]1CCC[C@@H]1[*:1] O=C(CC1CCCC1)N1CCC[C@@H]1[*:1]
O=C(CC1CCCC1)N1CCC[C@H]1[C@H]1CCC[C@@H]1O C1CCC(C1)[*:1] O=C(C[*:1])N1CCC[C@H]1[C@H]1CCC[C@@H]1O
Cc1c(C(=O)N2CCC[C@]3(CC=CCC3)C2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC[C@]2(CC=CCC2)C1
CC[C@@H](CC(=O)N1CCc2nn(C)c(=O)cc2C1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CC(=O)N1CCc2nn(C)c(=O)cc2C1)[*:1]
Cc1cc(C)c(NC(=O)CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CN1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1)N[*:1]
CCOC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1 CCOC(=O)[*:1] CCc1ccccc1N1C[C@H](CC1=O)C(=O)Nc1ccccc1[*:1]
CCOC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1 CCc1ccccc1[*:1] CCOC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H]1C[C@H](c2ccccc2)C[C@H](Nc2cccc(NC(=O)CO)c2)C1 O=C(CO)N[*:1] C[C@@H]1C[C@@H](C[C@@H](C1)Nc1cccc(c1)[*:1])c1ccccc1
C[C@@H]1C[C@H](c2ccccc2)C[C@H](Nc2cccc(NC(=O)CO)c2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](C[C@@H](C1)Nc1cccc(c1)NC(=O)CO)[*:1]
Cc1cc(C)n(-c2ccc(SCCOC(=O)c3ccccc3)nn2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)SCCOC(=O)[*:1]
Cc1cc(C)n(-c2ccc(SCCOC(=O)c3ccccc3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C(OCCSc1ccc(nn1)[*:1])c1ccccc1
CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc[nH]1 c1c[nH]c(c1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)[*:1]
Cc1c([C@H](C)[NH2+][C@@H]2CC=CCC2)nnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])[C@H](C)[NH2+][C@@H]1CC=CCC1
CCOCc1ccc(NC(=O)C(=O)N2CC[C@H]([N+]3=CCCC3)C2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)C[*:1])C(=O)N1CC[C@@H](C1)[N+]1=CCCC1
CCOCc1ccc(NC(=O)C(=O)N2CC[C@H]([N+]3=CCCC3)C2)cc1 CCOC[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CC[C@@H](C1)[N+]1=CCCC1
COc1ccc(NC(=O)N(Cc2ccsc2)C2CC2)c(OC)c1 c1cc(cs1)C[*:1] COc1ccc(NC(=O)N(C2CC2)[*:1])c(c1)OC
COc1ccc(NC(=O)N(Cc2ccsc2)C2CC2)c(OC)c1 c1cc(cs1)[*:1] COc1ccc(NC(=O)N(C[*:1])C2CC2)c(c1)OC
COc1ccc(NC(=O)N(Cc2ccsc2)C2CC2)c(OC)c1 C1CC1[*:1] COc1ccc(NC(=O)N(Cc2ccsc2)[*:1])c(c1)OC
N#CCCN(C(=O)CC1CCCCC1)c1ccc2c(c1)OCCO2 C1CCC(CC1)[*:1] N#CCCN(C(=O)C[*:1])c1ccc2OCCOc2c1
N#CCCN(C(=O)CC1CCCCC1)c1ccc2c(c1)OCCO2 C1CCC(CC1)C[*:1] N#CCCN(C(=O)[*:1])c1ccc2OCCOc2c1
N#CCCN(C(=O)CC1CCCCC1)c1ccc2c(c1)OCCO2 N#CC[*:1] O=C(CC1CCCCC1)N(C[*:1])c1ccc2OCCOc2c1
N#CCCN(C(=O)CC1CCCCC1)c1ccc2c(c1)OCCO2 N#CCC[*:1] O=C(CC1CCCCC1)N(c1ccc2OCCOc2c1)[*:1]
CC(C)N(C(=O)Cc1c(F)cccc1F)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)Cc1c(F)cccc1F)[*:1]
CC(C)N(C(=O)Cc1c(F)cccc1F)C1CCC1 CC(C)[*:1] O=C(Cc1c(F)cccc1F)N(C1CCC1)[*:1]
O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] O=C(NCCN1CCN(CC1)[*:1])c1ccc2OCOc2c1
O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(NCCN1CCN(CC1)c1ccc(F)cc1)[*:1]
O=C1NC(=O)[C@@H](CC(=O)N2CCN(c3nccc(-c4cccc(C(F)(F)F)c4)n3)CC2)N1 FC(F)(F)[*:1] O=C1NC(=O)[C@@H](CC(=O)N2CCN(CC2)c2nccc(n2)-c2cccc(c2)[*:1])N1
O=C1NC(=O)[C@@H](CC(=O)N2CCN(c3nccc(-c4cccc(C(F)(F)F)c4)n3)CC2)N1 FC(F)(F)c1cccc(c1)[*:1] O=C1NC(=O)[C@@H](CC(=O)N2CCN(CC2)c2nccc(n2)[*:1])N1
CCOc1ccc(C[C@H]2C(=O)Nc3ccccc32)cc1 CCO[*:1] O=C1Nc2ccccc2[C@H]1Cc1ccc(cc1)[*:1]
C[C@H]1CCCN(c2ccc(C(=O)O[C@@H](C)C(N)=O)cc2[N+](=O)[O-])C1 C[C@@H](C(N)=O)[*:1] C[C@H]1CCCN(C1)c1ccc(cc1[N+](=O)[O-])C(=O)O[*:1]
C[C@H]1CCCN(c2ccc(C(=O)O[C@@H](C)C(N)=O)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1CCCN(C1)c1ccc(cc1[*:1])C(=O)O[C@@H](C)C(N)=O
C[C@H]1CCCN(c2ccc(C(=O)O[C@@H](C)C(N)=O)cc2[N+](=O)[O-])C1 C[C@H](OC(=O)[*:1])C(N)=O C[C@H]1CCCN(C1)c1ccc(cc1[N+](=O)[O-])[*:1]
C[C@H]1CCCN(c2ccc(C(=O)O[C@@H](C)C(N)=O)cc2[N+](=O)[O-])C1 C[C@H]1CCCN(C1)[*:1] C[C@H](OC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1])C(N)=O
C[C@H]1CCCN(c2ccc(C(=O)O[C@@H](C)C(N)=O)cc2[N+](=O)[O-])C1 NC(=O)[*:1] C[C@H]1CCCN(C1)c1ccc(cc1[N+](=O)[O-])C(=O)O[C@@H](C)[*:1]
O=[N+]([O-])c1cccnc1N1CCC2(CC1)OCCO2 O=[N+]([O-])[*:1] c1cnc(c(c1)[*:1])N1CCC2(CC1)OCCO2
CCCCN(CC)c1ccc(C(=O)N2CC[S@](=O)C(C)(C)C2)cc1 CCCCN(CC)[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)c1ccc(cc1)[*:1]
CCCCN(CC)c1ccc(C(=O)N2CC[S@](=O)C(C)(C)C2)cc1 CCC[*:1] CCN(C[*:1])c1ccc(cc1)C(=O)N1CC[S@](=O)C(C)(C)C1
CCCCN(CC)c1ccc(C(=O)N2CC[S@](=O)C(C)(C)C2)cc1 CCCC[*:1] CCN(c1ccc(cc1)C(=O)N1CC[S@](=O)C(C)(C)C1)[*:1]
O=C([O-])c1c(C2CC2)nn(-c2ccc(Cl)c(F)c2)c1Cl O=C([O-])[*:1] Fc1cc(ccc1Cl)-n1nc(c(c1Cl)[*:1])C1CC1
O=C([O-])c1c(C2CC2)nn(-c2ccc(Cl)c(F)c2)c1Cl C1CC1[*:1] O=C([O-])c1c(nn(-c2ccc(Cl)c(F)c2)c1Cl)[*:1]
Cc1ncccc1NC(=O)N(C)CCOc1ccc(F)cc1 Cc1ncccc1[*:1] CN(CCOc1ccc(F)cc1)C(=O)N[*:1]
Cc1ncccc1NC(=O)N(C)CCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ncccc1NC(=O)N(C)CCO[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)CSc1cccc(F)c1 CC(C)NC(=O)[*:1] O=C(CSc1cccc(F)c1)Nc1ccccc1[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)CSc1cccc(F)c1 CC(C)[*:1] O=C(CSc1cccc(F)c1)Nc1ccccc1C(=O)N[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)CSc1cccc(F)c1 Fc1cccc(c1)S[*:1] CC(C)NC(=O)c1ccccc1NC(=O)C[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)CSc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)NC(=O)c1ccccc1NC(=O)CS[*:1]
Nn1c(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)nnc1C1CC1 C1CC1[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1ccc2OC(F)(F)Oc2c1
C#CCn1/c(=N\C(=O)c2cc(C)on2)sc2c(OC)ccc(OC)c21 Cc1cc(no1)[*:1] C#CCn1/c(=N\C(=O)[*:1])sc2c(ccc(OC)c21)OC
C#CCn1/c(=N\C(=O)c2cc(C)on2)sc2c(OC)ccc(OC)c21 C#CC[*:1] COc1ccc(OC)c2c1s/c(=N/C(=O)c1cc(C)on1)n2[*:1]
Cn1cc(CCC(=O)N(Cc2ccccc2F)c2ccncc2)cn1 Cn1cc(cn1)CC[*:1] O=C(N(Cc1ccccc1F)c1ccncc1)[*:1]
Cn1cc(CCC(=O)N(Cc2ccccc2F)c2ccncc2)cn1 Cn1cc(cn1)C[*:1] O=C(C[*:1])N(Cc1ccccc1F)c1ccncc1
Cn1cc(CCC(=O)N(Cc2ccccc2F)c2ccncc2)cn1 Fc1ccccc1[*:1] Cn1cc(cn1)CCC(=O)N(C[*:1])c1ccncc1
Cn1cc(CCC(=O)N(Cc2ccccc2F)c2ccncc2)cn1 c1cc(ccn1)[*:1] Cn1cc(cn1)CCC(=O)N(Cc1ccccc1F)[*:1]
Cn1cc(CCC(=O)N(Cc2ccccc2F)c2ccncc2)cn1 Fc1ccccc1C[*:1] Cn1cc(cn1)CCC(=O)N(c1ccncc1)[*:1]
Cn1cc(CCC(=O)N(Cc2ccccc2F)c2ccncc2)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])N(Cc1ccccc1F)c1ccncc1
CC[C@H](CCO)NC(=O)Nc1ccc(OC)c(F)c1 CC[C@H](CCO)[*:1] COc1ccc(cc1F)NC(=O)N[*:1]
CC[C@H](CCO)NC(=O)Nc1ccc(OC)c(F)c1 OCC[*:1] CC[C@H](NC(=O)Nc1ccc(OC)c(F)c1)[*:1]
CC(=O)N1CCN(C(=O)[C@H](C)Sc2ccccc2F)CC1 Fc1ccccc1[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H](C)S[*:1]
COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1OC COc1ccccc1NC(=O)[*:1] COc1cccc(c1OC)[C@H]1C(=C(C)Nc2nc3ccccc3n21)[*:1]
COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1OC COc1ccccc1[*:1] COc1cccc(c1OC)[C@H]1C(C(=O)N[*:1])=C(C)Nc2nc3ccccc3n21
COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1OC COc1cccc(c1OC)[*:1] COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1[*:1]
O=C(c1ccc[nH]c1=O)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 O=c1[nH]cccc1[*:1] O=C(N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21)[*:1]
O=C(c1ccc[nH]c1=O)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 c1ccc(cc1)[*:1] O=C(c1ccc[nH]c1=O)N1CC[C@@](O)([C@H]2CCCC[C@@H]21)[*:1]
CCc1ccc([C@H](CNC(=O)Cn2cnc3ccccc3c2=O)[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)[*:1]
FC(F)(F)CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 FC(F)(F)[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCC[C@H]1NCC[*:1]
FC(F)(F)CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 FC(F)(F)C[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCC[C@H]1NC[*:1]
Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1Cl CC(C)[*:1] Cc1cc(ccc1Cl)OCC(=O)Nc1ccccc1C(=O)NC[*:1]
Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1Cl CC(C)C[*:1] Cc1cc(ccc1Cl)OCC(=O)Nc1ccccc1C(=O)N[*:1]
Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1Cl CC(C)CNC(=O)[*:1] Cc1cc(ccc1Cl)OCC(=O)Nc1ccccc1[*:1]
Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1Cl Cc1cc(ccc1Cl)[*:1] CC(C)CNC(=O)c1ccccc1NC(=O)CO[*:1]
Cc1cc(CN2CCN(C(=O)NCCCc3c(C)noc3C)CC2)no1 Cc1noc(C)c1[*:1] Cc1cc(CN2CCN(CC2)C(=O)NCCC[*:1])no1
Cc1cc(CN2CCN(C(=O)NCCCc3c(C)noc3C)CC2)no1 Cc1cc(no1)[*:1] Cc1noc(C)c1CCCNC(=O)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)NCCCc3c(C)noc3C)CC2)no1 Cc1noc(C)c1C[*:1] Cc1cc(CN2CCN(CC2)C(=O)NCC[*:1])no1
Cc1cc(CN2CCN(C(=O)NCCCc3c(C)noc3C)CC2)no1 Cc1cc(C[*:1])no1 Cc1noc(C)c1CCCNC(=O)N1CCN(CC1)[*:1]
COC(=O)CC1CC[NH+](Cc2oc(C)cc(=O)c2[O-])CC1 COC(=O)C[*:1] Cc1cc(=O)c([O-])c(C[NH+]2CCC(CC2)[*:1])o1
COC(=O)CC1CC[NH+](Cc2oc(C)cc(=O)c2[O-])CC1 COC(=O)[*:1] Cc1cc(=O)c([O-])c(C[NH+]2CCC(CC2)C[*:1])o1
CC(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)NC(C)C)cc1 CC(=O)N[*:1] CC(C)NC(=O)[C@@H]1[C@@H](OC(=O)N1Cc1ccc(F)cc1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)NC(C)C)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)[C@@H]1OC(=O)N(Cc2ccc(F)cc2)[C@@H]1C(=O)N[*:1]
CC(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)NC(C)C)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC(C)NC(=O)[C@@H]1[C@@H](OC(=O)N1Cc1ccc(F)cc1)[*:1]
CC(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)NC(C)C)cc1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)[C@@H]1OC(=O)N(C[*:1])[C@@H]1C(=O)NC(C)C
CC(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)NC(C)C)cc1 Fc1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)[C@@H]1OC(=O)N([C@@H]1C(=O)NC(C)C)[*:1]
CC(=O)Nc1ccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] CC(=O)Nc1ccc(cc1)[C@@H]1OC(=O)N(Cc2ccc(F)cc2)[C@H]1[*:1]
Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N[C@H](C)C(=O)N1CCO[C@H](C1)[*:1]
Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCO[C@@H](C1)c1ccc(F)cc1
C/C=C(\C)C(=O)NCc1cccc(C(=O)NC)c1 CC=C(C)[*:1] CNC(=O)c1cccc(c1)CNC(=O)[*:1]
C/C=C(\C)C(=O)NCc1cccc(C(=O)NC)c1 CNC(=O)[*:1] C/C=C(\C)C(=O)NCc1cccc(c1)[*:1]
O[C@H](Cc1ccsc1)[C@@H]1C[NH+]2CCN1CC2 c1cc(cs1)[*:1] O[C@H](C[*:1])[C@@H]1C[NH+]2CCN1CC2
CCOC(=O)C1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 CCOC(=O)[*:1] C[C@H](CNC(=O)N1CCC(CC1)[*:1])C[NH+]1CCCC1
Cc1ccc(NC(=O)c2cc[n+]([O-])cc2)c(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1ccc(NC(=O)c2cc[n+]([O-])cc2)c(c1)OC[*:1]
Cc1ccc(NC(=O)c2cc[n+]([O-])cc2)c(OC[C@H]2CCCO2)c1 [O-][n+]1ccc(cc1)[*:1] Cc1ccc(NC(=O)[*:1])c(c1)OC[C@H]1CCCO1
Cc1ccc(NC(=O)c2cc[n+]([O-])cc2)c(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1ccc(NC(=O)c2cc[n+]([O-])cc2)c(c1)O[*:1]
Cc1ccc(NC(=O)c2cc[n+]([O-])cc2)c(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)CO[*:1] Cc1ccc(NC(=O)c2cc[n+]([O-])cc2)c(c1)[*:1]
NC(=O)C1CCN(C(=O)/C=C/c2ccc(-c3ccccc3)s2)CC1 c1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)/C=C/c1ccc(s1)[*:1]
NC(=O)C1CCN(C(=O)/C=C/c2ccc(-c3ccccc3)s2)CC1 NC(=O)[*:1] O=C(/C=C/c1ccc(s1)-c1ccccc1)N1CCC(CC1)[*:1]
COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nc(C)cs1 Cc1csc(n1)[*:1] COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)[*:1]
CCOCCNC(=O)Nc1cccc(Cl)c1F CCOCC[*:1] O=C(Nc1cccc(Cl)c1F)N[*:1]
CCOCCNC(=O)Nc1cccc(Cl)c1F CCO[*:1] O=C(NCC[*:1])Nc1cccc(Cl)c1F
CCOCCNC(=O)Nc1cccc(Cl)c1F CCOC[*:1] O=C(NC[*:1])Nc1cccc(Cl)c1F
CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)/C(=C(/[O-])OC)C(C)=N2 CCCC[*:1] CO/C([O-])=C1/C(C)=Nc2nc([nH]c(=O)c2[C@@H]1c1cccc(C)c1)S[*:1]
CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)/C(=C(/[O-])OC)C(C)=N2 CCC[*:1] CO/C([O-])=C1/C(C)=Nc2nc([nH]c(=O)c2[C@@H]1c1cccc(C)c1)SC[*:1]
CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)/C(=C(/[O-])OC)C(C)=N2 CCCCS[*:1] CO/C([O-])=C1/C(C)=Nc2nc([nH]c(=O)c2[C@@H]1c1cccc(C)c1)[*:1]
CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)/C(=C(/[O-])OC)C(C)=N2 Cc1cccc(c1)[*:1] CCCCSc1nc2N=C(C)/C(=C(\[O-])OC)[C@@H](c2c(=O)[nH]1)[*:1]
FC(F)(F)CN(Cc1nc(C(F)(F)F)cs1)C1CCCC1 FC(F)(F)C[*:1] FC(F)(F)c1csc(CN(C2CCCC2)[*:1])n1
FC(F)(F)CN(Cc1nc(C(F)(F)F)cs1)C1CCCC1 FC(F)(F)[*:1] FC(F)(F)CN(Cc1nc(cs1)[*:1])C1CCCC1
FC(F)(F)CN(Cc1nc(C(F)(F)F)cs1)C1CCCC1 FC(F)(F)[*:1] FC(F)(F)c1csc(CN(C[*:1])C2CCCC2)n1
FC(F)(F)CN(Cc1nc(C(F)(F)F)cs1)C1CCCC1 C1CCC(C1)[*:1] FC(F)(F)CN(Cc1nc(cs1)C(F)(F)F)[*:1]
Cc1c(N)cccc1SCCCCO OCC[*:1] Cc1c(N)cccc1SCC[*:1]
Cc1c(N)cccc1SCCCCO OCCC[*:1] Cc1c(N)cccc1SC[*:1]
CC(C)C[C@H]1NC(=O)N(CN2CCc3sccc3[C@@H]2c2cccs2)C1=O CC(C)[*:1] O=C1N[C@H](C[*:1])C(=O)N1CN1CCc2sccc2[C@@H]1c1cccs1
CC(C)C[C@H]1NC(=O)N(CN2CCc3sccc3[C@@H]2c2cccs2)C1=O CC(C)C[*:1] O=C1N[C@@H](C(=O)N1CN1CCc2sccc2[C@@H]1c1cccs1)[*:1]
CC(C)C[C@H]1NC(=O)N(CN2CCc3sccc3[C@@H]2c2cccs2)C1=O c1csc(c1)[*:1] CC(C)C[C@H]1NC(=O)N(CN2CCc3sccc3[C@H]2[*:1])C1=O
COc1cccc(C[C@@H]2CN(Cc3cc(C(C)(C)C)[nH]n3)CCO2)c1 CC(C)(C)[*:1] COc1cccc(c1)C[C@@H]1CN(CCO1)Cc1cc([nH]n1)[*:1]
COc1cccc(C[C@@H]2CN(Cc3cc(C(C)(C)C)[nH]n3)CCO2)c1 COc1cccc(c1)[*:1] CC(C)(C)c1cc(CN2CCO[C@@H](C2)C[*:1])n[nH]1
C[C@@H]1CN(CC[NH+](C)C)CC[C@@H]1[NH3+] C[NH+](C)C[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])C[*:1]
Cc1ccc(N2CCC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)nn1 Cc1ccc(nn1)[*:1] Fc1ccc(C[NH+]2CCCN(CC2)[*:1])c(c1)C(F)(F)F
Cc1ccc(N2CCC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)nn1 FC(F)(F)[*:1] Cc1ccc(nn1)N1CCC[NH+](CC1)Cc1ccc(F)cc1[*:1]
CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)[O-])cc3)oc12 CC(C)[*:1] N#Cc1cc(c2oc(nc2c1)-c1ccc(cc1)C(=O)[O-])[*:1]
CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)[O-])cc3)oc12 O=C([O-])[*:1] CC(C)c1cc(C#N)cc2nc(oc12)-c1ccc(cc1)[*:1]
O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(F)cc1F)N1CCC[C@H](C1)C(=O)[*:1]
O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] O=C(Cc1ccccc1)[C@@H]1CCCN(C1)C(=O)N[*:1]
O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 c1ccc(cc1)[*:1] O=C(C[*:1])[C@@H]1CCCN(C1)C(=O)Nc1ccc(F)cc1F
CC(C)=CC(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 CC(C)=C[*:1] Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)=CC(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 Cc1ccc(nc1)[*:1] CC(C)=CC(=O)N1CCC(CC1)C(=O)N[*:1]
Cn1[nH+]c(CC2CC2)cc1N C1CC1[*:1] Cn1[nH+]c(cc1N)C[*:1]
O=C1C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)CN1Cc1ccco1 Fc1ccccc1[*:1] O=C1C[C@H](CN1Cc1ccco1)C(=O)N1CCN(CC1)[*:1]
O=C1C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)CN1Cc1ccco1 c1coc(c1)C[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1ccccc1F
O=C1C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)CN1Cc1ccco1 c1coc(c1)[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCN(CC1)c1ccccc1F
C[C@H]1CN(C[C@@H]2CCCN2C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H]1CN(C[C@H](C)O1)C[C@@H]1CCCN1C(=O)N[*:1]
C[C@H]1CN(C[C@@H]2CCCN2C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 C[C@H]1CN(C[C@H](C)O1)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1C[*:1]
Cc1ccc2nc(NCc3cn[nH]c3)nn2c1 c1n[nH]cc1[*:1] Cc1ccc2nc(nn2c1)NC[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)C2 NC(=O)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)[NH2+]CC1(CCOCC1)[*:1]
CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1O FC(F)(F)[*:1] CCOc1cc(ccc1O)[C@@H]1NC(=O)N[C@@](O)([C@@H]1C(=O)c1ccccc1)[*:1]
CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1O CCOc1cc(ccc1O)[*:1] O=C1N[C@H]([C@@H](C(=O)c2ccccc2)[C@@](O)(N1)C(F)(F)F)[*:1]
CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1O c1ccc(cc1)[*:1] CCOc1cc(ccc1O)[C@@H]1NC(=O)N[C@](O)([C@@H]1C(=O)[*:1])C(F)(F)F
CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1O CCO[*:1] O=C1N[C@@H](c2ccc(O)c(c2)[*:1])[C@@H](C(=O)c2ccccc2)[C@@](O)(N1)C(F)(F)F
CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1O O=C(c1ccccc1)[*:1] CCOc1cc(ccc1O)[C@@H]1NC(=O)N[C@](O)([C@H]1[*:1])C(F)(F)F
C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1Cl)c1ccsc1 c1cc(cs1)[*:1] C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1Cl)[*:1]
CCOc1ccc(Br)cc1[C@@H]([NH3+])c1ccc(OC)cc1 CCO[*:1] COc1ccc(cc1)[C@H]([NH3+])c1cc(Br)ccc1[*:1]
COCCNc1nc2nonc2nc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 COC[*:1] Clc1cccc(c1)C[NH+]1CCN(CC1)c1nc2nonc2nc1NC[*:1]
COCCNc1nc2nonc2nc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 COCCN[*:1] Clc1cccc(c1)C[NH+]1CCN(CC1)c1nc2nonc2nc1[*:1]
COCCNc1nc2nonc2nc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 COCC[*:1] Clc1cccc(c1)C[NH+]1CCN(CC1)c1nc2nonc2nc1N[*:1]
COCCNc1nc2nonc2nc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] COCCNc1nc2nonc2nc1N1CC[NH+](CC1)[*:1]
COCCNc1nc2nonc2nc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COCCNc1nc2nonc2nc1N1CC[NH+](CC1)C[*:1]
COc1ccccc1NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 COc1ccccc1[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)NC3CCCC3)n2C)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)C(=O)N[C@H](C)c1nnc(SCC(=O)N[*:1])n1C
Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)NC3CCCC3)n2C)cc1 O=C(NC1CCCC1)[*:1] Cc1ccc(cc1)C(=O)N[C@H](C)c1nnc(SC[*:1])n1C
Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)NC3CCCC3)n2C)cc1 O=C(C[*:1])NC1CCCC1 Cc1ccc(cc1)C(=O)N[C@H](C)c1nnc(S[*:1])n1C
Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)NC3CCCC3)n2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])c1nnc(SCC(=O)NC2CCCC2)n1C
O=C(CSCc1ccc(F)cc1Cl)NCC1CC1 C1CC1C[*:1] O=C(CSCc1ccc(F)cc1Cl)N[*:1]
O=C(CSCc1ccc(F)cc1Cl)NCC1CC1 C1CC1[*:1] O=C(CSCc1ccc(F)cc1Cl)NC[*:1]
C[C@H]1CN(CCNc2ccccc2S(=O)(=O)C(F)F)C[C@@H](C)O1 O=S(=O)(C(F)F)[*:1] C[C@H]1CN(CCNc2ccccc2[*:1])C[C@@H](C)O1
C[C@H]1CN(CCNc2ccccc2S(=O)(=O)C(F)F)C[C@@H](C)O1 FC(F)[*:1] C[C@H]1CN(CCNc2ccccc2S(=O)(=O)[*:1])C[C@@H](C)O1
COC(=O)c1cccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])Nc1ccc2sc(nc2c1)NC(=O)c1ccccc1
COC(=O)c1cccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 COC(=O)c1cccc(c1)[*:1] O=C(Nc1ccc2sc(nc2c1)NC(=O)c1ccccc1)N[*:1]
COC(=O)c1cccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 c1ccc(cc1)[*:1] COC(=O)c1cccc(c1)NC(=O)Nc1ccc2sc(nc2c1)NC(=O)[*:1]
COC(=O)c1cccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 O=C(N[*:1])c1ccccc1 COC(=O)c1cccc(c1)NC(=O)Nc1ccc2sc(nc2c1)[*:1]
CC(C)CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F CC(C)CNC(=O)NC(=O)[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1ccccc1F
CC(C)CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F CC(C)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)NC(=O)N[*:1]
CC(C)CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F Fc1ccccc1[*:1] CC(C)CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CC(C)CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F CC(C)[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)NC(=O)NC[*:1]
O=S(=O)(Nc1ccc(-c2noc(-c3ccccn3)n2)cc1)c1ccc(F)cc1 c1ccc(nc1)[*:1] O=S(=O)(Nc1ccc(cc1)-c1noc(n1)[*:1])c1ccc(F)cc1
O=S(=O)(Nc1ccc(-c2noc(-c3ccccn3)n2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)-c1noc(n1)-c1ccccn1)[*:1]
C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc([S@](C)=O)cc1 FC(F)(F)[*:1] C[C@H](NCC#Cc1ccc(cc1)[*:1])c1ccc(cc1)[S@](C)=O
C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@H](NCC#Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1)[*:1]
O=C(c1cc(C(F)(F)F)ccc1F)N1CCC[C@H](O)C1 FC(F)(F)[*:1] O=C(c1cc(ccc1F)[*:1])N1CCC[C@H](O)C1
O=C(CCC1=c2ccccc2=[NH+]C1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N1CCN(CC1)CC[*:1]
O=C(CCC1=c2ccccc2=[NH+]C1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N1CCN(CC1)C[*:1]
O=C(CCC1=c2ccccc2=[NH+]C1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N1CCN(CCO[*:1])CC1
O=C(CCC1=c2ccccc2=[NH+]C1)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)OCC[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N1CCN(CC1)[*:1]
Cc1n[nH]c2cc(NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)ccc12 O=C1CCCCN1[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[C@@H](c1ccccc1)[*:1]
Cc1n[nH]c2cc(NC(=O)[C@@H](c3ccccc3)N3CCCCC3=O)ccc12 c1ccc(cc1)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[C@@H](N1CCCCC1=O)[*:1]
COc1cc(C(=O)N[C@@H]2CC[C@@H](SC)C2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])C(=O)N[C@@H]1CC[C@H](C1)SC
O=C([O-])Cn1cc(-c2ccccc2CO)cn1 O=C([O-])C[*:1] OCc1ccccc1-c1cnn(c1)[*:1]
O=C([O-])Cn1cc(-c2ccccc2CO)cn1 O=C([O-])[*:1] OCc1ccccc1-c1cnn(c1)C[*:1]
O=C(COc1ccc(Br)cc1F)NC(=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(COc1ccc(Br)cc1F)NC(=O)N[*:1]
Cc1ccc(N[C@@H]2CCN(c3c(F)cccc3F)C2=O)cc1C(N)=O Fc1cccc(F)c1[*:1] Cc1ccc(cc1C(N)=O)N[C@@H]1CCN(C1=O)[*:1]
Cc1ccc(N[C@@H]2CCN(c3c(F)cccc3F)C2=O)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])N[C@@H]1CCN(C1=O)c1c(F)cccc1F
N#CCCCN1CC[NH+](C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] N#CCCCN1CC[NH+](CC=C[*:1])CC1
N#CCCCN1CC[NH+](C/C=C/c2ccccc2)CC1 N#CC[*:1] C(=C/c1ccccc1)\C[NH+]1CCN(CC1)CC[*:1]
N#CCCCN1CC[NH+](C/C=C/c2ccccc2)CC1 N#CCCC[*:1] C(=C/c1ccccc1)\C[NH+]1CCN(CC1)[*:1]
N#CCCCN1CC[NH+](C/C=C/c2ccccc2)CC1 N#CCC[*:1] C(=C/c1ccccc1)\C[NH+]1CCN(CC1)C[*:1]
COCC[C@@H](C)NC(=O)C(=O)Nc1cc(OC)ccc1F COCC[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)N[C@H](C)[*:1]
COCC[C@@H](C)NC(=O)C(=O)Nc1cc(OC)ccc1F COCC[C@@H](C)[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)N[*:1]
COCC[C@@H](C)NC(=O)C(=O)Nc1cc(OC)ccc1F COC[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)N[C@H](C)C[*:1]
CC1(C)CCN(C(=O)[C@@H]([NH3+])CC(=O)[O-])C1 O=C([O-])[*:1] CC1(C)CCN(C1)C(=O)[C@@H]([NH3+])C[*:1]
CC1(C)CCN(C(=O)[C@@H]([NH3+])CC(=O)[O-])C1 O=C([O-])C[*:1] CC1(C)CCN(C1)C(=O)[C@@H]([NH3+])[*:1]
CN1/C(=C\C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C(C)(C)c2ccccc21 c1coc(c1)C[*:1] CN1/C(=C\C(=O)COC(=O)[C@H]2CC(=O)N(C2)[*:1])C(C)(C)c2ccccc21
CN1/C(=C\C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C(C)(C)c2ccccc21 c1coc(c1)[*:1] CN1/C(=C\C(=O)COC(=O)[C@H]2CC(=O)N(C2)C[*:1])C(C)(C)c2ccccc21
C=CCOc1ccc(C[NH2+]Cc2nnc3n2CCCCC3)cc1 C=CC[*:1] c1cc(ccc1C[NH2+]Cc1nnc2CCCCCn21)O[*:1]
C=CCOc1ccc(C[NH2+]Cc2nnc3n2CCCCC3)cc1 C=CCO[*:1] c1cc(ccc1C[NH2+]Cc1nnc2CCCCCn21)[*:1]
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCC(=O)N1c2ccccc2NC2CC(C)(C)CC(=O)C=2[C@H]1[*:1]
Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)NC[C@@H]1CCCO1
C[C@@H](Oc1ccc(I)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] C[C@@H](Oc1ccc(I)cc1)C(=O)NCc1ccc(cc1)[*:1]
C[C@@H](Oc1ccc(I)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 Ic1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NCc1ccc(cc1)C(=O)[O-]
CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H](Sc2nnnn2C)C1 Cn1nnnc1[*:1] CC(C)[NH2+][C@@]1(CCC[C@H](C1)S[*:1])C(=O)[O-]
CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H](Sc2nnnn2C)C1 O=C([O-])[*:1] CC(C)[NH2+][C@@]1(CCC[C@H](C1)Sc1nnnn1C)[*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H](Sc2nnnn2C)C1 CC(C)[*:1] Cn1nnnc1S[C@@H]1CCC[C@](C1)([NH2+][*:1])C(=O)[O-]
COc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2F)cc1OC Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1OC)[C@@H]1CCCN1C(=O)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)c1cnn(C2CCCCC2)c1 C1CCC(CC1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)c1cnn(c1)[*:1]
Cc1ccc(C)c(CSc2nnc(NC(=O)Cc3ccccc3)s2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)CSc1nnc(NC(=O)[*:1])s1
Cc1ccc(C)c(CSc2nnc(NC(=O)Cc3ccccc3)s2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cc1ccccc1)Nc1nnc(SC[*:1])s1
Cc1ccc(C)c(CSc2nnc(NC(=O)Cc3ccccc3)s2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)CSc1nnc(NC(=O)C[*:1])s1
Cc1cc(C(=O)CN2CCOC[C@@H]2C#N)c(C)n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)CN2CCOC[C@@H]2C#N)c(C)n1C[*:1]
Cc1cc(C(=O)CN2CCOC[C@@H]2C#N)c(C)n1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1cc(C(=O)CN2CCOC[C@@H]2C#N)c(C)n1[*:1]
N#Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccco2)c(F)c1 c1ccc(cc1)[*:1] N#Cc1ccc(CNC(=O)N[C@@H](c2ccco2)[*:1])c(F)c1
N#Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccco2)c(F)c1 c1coc(c1)[*:1] N#Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)[*:1])c(F)c1
CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl CCC[*:1] Cc1nc2c(c(=O)n1[*:1])c1nc3ccccc3nc1n2Cc1ccccc1Cl
CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl Clc1ccccc1C[*:1] CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2[*:1]
CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl Clc1ccccc1[*:1] CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2C[*:1]
CCOc1ncccc1CNC(=O)[C@@H]1CC(=O)Nc2ccc(OC)cc21 CCO[*:1] COc1ccc2NC(=O)C[C@@H](C(=O)NCc3cccnc3[*:1])c2c1
O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2cc(Cl)ccc2O)[nH]n1 Oc1ccc(Cl)cc1[*:1] O=C(NCc1ccc2OCOc2c1)c1cc([nH]n1)[*:1]
C/C=C(/C)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 CC=C(C)[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
CS(=O)(=O)c1c(Cl)cccc1NC(=O)C=C1CCSCC1 C(=C1CCSCC1)[*:1] CS(=O)(=O)c1c(Cl)cccc1NC(=O)[*:1]
CS(=O)(=O)c1c(Cl)cccc1NC(=O)C=C1CCSCC1 CS(=O)(=O)[*:1] O=C(C=C1CCSCC1)Nc1cccc(Cl)c1[*:1]
C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)C1 C1CO[C@@H](C1)CO[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)C1 C1CO[C@@H](C1)[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)Nc1ccc(cc1)OC[*:1]
C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)C1 C1CO[C@@H](C1)C[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)Nc1ccc(cc1)O[*:1]
CC(C)=C[C@H]1[C@@H](C(=O)NN2CC(=O)NC2=O)C1(C)C CC(C)=C[*:1] CC1(C)[C@H]([C@H]1C(=O)NN1CC(=O)NC1=O)[*:1]
CCCN(CCO)C(=O)Nc1ccc(S(C)(=O)=O)cc1 CCC[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)N(CCO)[*:1]
CCCN(CCO)C(=O)Nc1ccc(S(C)(=O)=O)cc1 OCC[*:1] CCCN(C(=O)Nc1ccc(cc1)S(C)(=O)=O)[*:1]
CCCN(CCO)C(=O)Nc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCCN(CCO)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(-n2c(S[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)nc1 Cc1ccc(nc1)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1
Cc1ccc([C@H]([NH3+])[C@@H]2CN(C(C)C)CCO2)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@H]([NH3+])[C@@H]1CN(CCO1)[*:1]
CCS(=O)(=O)N1CCN(c2nc(C)nc3ccc(N4CCOCC4)cc23)CC1 C1CN(CCO1)[*:1] CCS(=O)(=O)N1CCN(CC1)c1nc(C)nc2ccc(cc12)[*:1]
CN(C)c1nc(N)nc(/C(C#N)=C\c2cnc(-c3ccccn3)s2)n1 CN(C)[*:1] N#C/C(=C/c1cnc(s1)-c1ccccn1)c1nc(N)nc(n1)[*:1]
CN(C)c1nc(N)nc(/C(C#N)=C\c2cnc(-c3ccccn3)s2)n1 c1ccc(nc1)[*:1] CN(C)c1nc(N)nc(n1)/C(C#N)=C\c1cnc(s1)[*:1]
C=CC[C@H](C(=O)OCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C=CC[C@H](C(=O)OC[*:1])c1ccccc1
C=CC[C@H](C(=O)OCc1ccccc1)c1ccccc1 C=CC[*:1] O=C(OCc1ccccc1)[C@H](c1ccccc1)[*:1]
C=CC[C@H](C(=O)OCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C=CC[C@H](C(=O)OCc1ccccc1)[*:1]
COCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NCc1ccccc1F COCC[*:1] O=C(NCc1ccccc1F)[C@H]1c2ccccc2CC(=O)N1[*:1]
COCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NCc1ccccc1F Fc1ccccc1C[*:1] COCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)N[*:1]
COCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NCc1ccccc1F COC[*:1] O=C(NCc1ccccc1F)[C@H]1c2ccccc2CC(=O)N1C[*:1]
COCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NCc1ccccc1F Fc1ccccc1[*:1] COCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NC[*:1]
Cc1ccc(-n2nnnc2Sc2nc([N+](=O)[O-])nn2C)cc1 Cc1ccc(cc1)[*:1] Cn1nc(nc1Sc1nnnn1[*:1])[N+](=O)[O-]
Cc1ccc(-n2nnnc2Sc2nc([N+](=O)[O-])nn2C)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-n1nnnc1Sc1nc(nn1C)[*:1]
COC[C@@H](O)CN(C)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 COC[C@@H](O)[*:1] C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)C[*:1]
COC[C@@H](O)CN(C)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 COC[C@@H](O)C[*:1] C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)[*:1]
COC[C@@H](O)CN(C)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 COC[*:1] C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(C)C[C@H](O)[*:1]
COc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1c[nH]c(=O)[nH]c1=O)C2=O O=c1[nH]cc(c(=O)[nH]1)[*:1] COc1ccccc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1c[nH]c(=O)[nH]c1=O)C2=O COc1ccccc1[*:1] O=C(N[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1c[nH]c(=O)[nH]c1=O
CCOC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 CCOC(=O)N[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCO[C@@H](C1)[*:1]
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 CC(C)[*:1] O=C([C@@H]([NH2+]C1CCOCC1)[*:1])N1CCO[C@H](C1)c1ccc(F)cc1
CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OCc1ccc(F)cc1 Brc1cccc(c1)[*:1] CCOC(=O)c1nn(c(=O)cc1OCc1ccc(F)cc1)[*:1]
CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1O[*:1]
CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OCc1ccc(F)cc1 CCOC(=O)[*:1] O=c1cc(OCc2ccc(F)cc2)c(nn1-c1cccc(Br)c1)[*:1]
CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OCc1ccc(F)cc1 Fc1ccc(cc1)CO[*:1] CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1[*:1]
CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OC[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(N3CCCNC3=O)c2)CC1 CC(C)[*:1] N#C[C@@H](N1CCN(CC1)C(=O)c1cccc(c1)N1CCCNC1=O)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(N3CCCNC3=O)c2)CC1 O=C1NCCCN1[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
C[C@@H](NC(=O)Cc1ccc(Br)cc1)C(=O)N1CCCCC1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)C[*:1])C(=O)N1CCCCC1
COCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1NC[*:1]
COCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N[*:1]
COCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[*:1]
COCCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 COCCN[*:1] Cc1ccc(cc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1[*:1]
Cc1cccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccccc2)n2ncnc2N3)c1 Cc1cccc(c1)[*:1] O=C1C2Nc3ncnn3[C@@H](C=2C(=O)N1[*:1])c1ccccc1
Cc1cccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccccc2)n2ncnc2N3)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N1C(=O)C2Nc3ncnn3[C@H](C=2C1=O)[*:1]
Cc1nc(-c2ccc(CC(=O)N3CCS(=O)(=O)CC3)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCS(=O)(=O)CC1
CCN(C)C(=O)c1cc(-c2ccc3c(c2)OCO3)n(CC)n1 CCN(C)C(=O)[*:1] CCn1nc(cc1-c1ccc2OCOc2c1)[*:1]
CC1(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)Cc2ccccc2C1 c1ccc(nc1)[*:1] CC1(Cc2ccccc2C1)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CC1(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)Cc2ccccc2C1 c1ccc(C[*:1])nc1 CC1(Cc2ccccc2C1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C1N(CCC[C@H]2CCCO2)C[C@@H]2C[NH2+]CCN12 C1CO[C@H](C1)[*:1] O=C1N(CCC[*:1])C[C@@H]2C[NH2+]CCN12
O=C1N(CCC[C@H]2CCCO2)C[C@@H]2C[NH2+]CCN12 C1CO[C@H](C1)C[*:1] O=C1N(CC[*:1])C[C@@H]2C[NH2+]CCN12
COC[C@@H]([NH3+])CN(C)C(=O)N1CCCCC1 COC[*:1] CN(C[C@H]([NH3+])[*:1])C(=O)N1CCCCC1
Cc1cc(C)n([C@@H](C(=O)[O-])C(C)C)n1 O=C([O-])[*:1] Cc1cc(C)n(n1)[C@@H](C(C)C)[*:1]
Cc1cc(C)n([C@@H](C(=O)[O-])C(C)C)n1 CC(C)[*:1] Cc1cc(C)n(n1)[C@@H](C(=O)[O-])[*:1]
C[C@H](NC(=S)NCc1ccccn1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=S)NCc1ccccn1)[*:1]
C[C@H](NC(=S)NCc1ccccn1)c1ccccc1 c1ccc(nc1)[*:1] C[C@H](NC(=S)NC[*:1])c1ccccc1
CC1CC([NH2+]Cc2c[nH]nc2-c2cccs2)C1 c1csc(c1)[*:1] CC1CC(C1)[NH2+]Cc1c[nH]nc1[*:1]
CC1CC([NH2+]Cc2c[nH]nc2-c2cccs2)C1 CC1CC(C1)[*:1] c1csc(c1)-c1n[nH]cc1C[NH2+][*:1]
COc1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)N[C@@H]3N=NC(C)=C23)cc1O c1csc(c1)[*:1] COc1ccc(cc1O)[C@@H]1C2C(=O)C[C@@H](CC=2N[C@@H]2N=NC(C)=C12)[*:1]
COc1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)N[C@@H]3N=NC(C)=C23)cc1O COc1ccc(cc1O)[*:1] CC1N=N[C@H]2NC3C[C@@H](CC(=O)C=3[C@H](C=12)[*:1])c1cccs1
CC(C)(C#N)CCC[NH+]1CC(C)(C)C1(C)C CC(C)(C#N)[*:1] CC1(C)C[NH+](CCC[*:1])C1(C)C
COc1ccc(C(=O)CSc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2CCCCCn12)[*:1]
COc1ccc(C(=O)CSc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(C(=O)CSc2nc3nn(c(=O)c-3c3CCCCCn23)[*:1])c(c1)OC
O=C1CCC(=O)N1c1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] O=C1CCC(=O)N1c1cc(ccc1F)[*:1]
CN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)[*:1]
C[C@H]1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)c2cc(F)ccc2C(=O)N1 Clc1ccc(cc1)[*:1] C[C@H]1CN(c2cc(F)ccc2C(=O)N1)S(=O)(=O)C=C[*:1]
O=[N+]([O-])c1ccc(N[C@H]2CCN(c3nc4ccccc4o3)C2)nc1 O=[N+]([O-])[*:1] c1ccc2oc(nc2c1)N1CC[C@@H](C1)Nc1ccc(cn1)[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)CCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] CC(C)NC(=O)Cc1ccc(cc1)NC(=O)N(C)[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)CCc2ccccc2)cc1 CC(C)NC(=O)C[*:1] CN(CCc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)CCc2ccccc2)cc1 CC(C)[*:1] CN(CCc1ccccc1)C(=O)Nc1ccc(cc1)CC(=O)N[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)CCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)NC(=O)Cc1ccc(cc1)NC(=O)N(C)CC[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)CCc2ccccc2)cc1 CC(C)NC(=O)[*:1] CN(CCc1ccccc1)C(=O)Nc1ccc(cc1)C[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)NC(=O)Cc1ccc(cc1)NC(=O)N(C)C[*:1]
CC(C)c1noc(CC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)n1 CC(C)[*:1] CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(no1)[*:1]
CC(C)c1noc(CC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)n1 CC(C)(C)[*:1] CC(C)c1noc(CC[NH2+][C@H]2CCCC[C@H]2[*:1])n1
CCO[C@H]1C[C@H]1/C([O-])=N/S(=O)(=O)Cc1ccccc1 CCO[*:1] O=S(=O)(Cc1ccccc1)/N=C(\[O-])[C@@H]1C[C@@H]1[*:1]
CCO[C@H]1C[C@H]1/C([O-])=N/S(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CCO[C@H]1C[C@H]1/C([O-])=N/S(=O)(=O)C[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(c2nc3ccccc3o2)CC1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(N1CCC(CC1)c1nc2ccccc2o1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(c2nc3ccccc3o2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(o1)[*:1])N1CCC(CC1)c1nc2ccccc2o1
C[C@H](Cc1ccco1)NC(=O)[C@H]1CCCCC[C@@H]1[NH3+] c1coc(c1)[*:1] C[C@H](C[*:1])NC(=O)[C@H]1CCCCC[C@@H]1[NH3+]
C[C@H](Cc1ccco1)NC(=O)[C@H]1CCCCC[C@@H]1[NH3+] c1coc(c1)C[*:1] C[C@H](NC(=O)[C@H]1CCCCC[C@@H]1[NH3+])[*:1]
C=CC[C@@H](SC(=S)N1CCN(C)CC1)c1ccccc1 C=CC[*:1] CN1CCN(CC1)C(=S)S[C@@H](c1ccccc1)[*:1]
C=CC[C@@H](SC(=S)N1CCN(C)CC1)c1ccccc1 c1ccc(cc1)[*:1] C=CC[C@@H](SC(=S)N1CCN(C)CC1)[*:1]
Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)no1 Cc1cc(no1)[*:1] O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)N[*:1]
Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CSc1ncc(n1-c1ccccc1)[*:1]
Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CSc1ncc(-c2ccccc2)n1[*:1]
Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)no1 Cc1cc(no1)NC(=O)[*:1] c1ccc(cc1)-c1cnc(SC[*:1])n1-c1ccccc1
C[C@@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(-n2ccnc2)cc1 O=C([O-])[*:1] C[C@@H](NC(=O)[C@H]1CC=CC[C@H]1[*:1])c1ccc(cc1)-n1ccnc1
C[C@@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(cc1)[*:1]
CC[NH+]1CCN(CC(=O)Nc2cnc(C(C)(C)C)nc2)CC1 CC(C)(C)[*:1] CC[NH+]1CCN(CC1)CC(=O)Nc1cnc(nc1)[*:1]
C[C@@H]1C[C@@H]([NH3+])CN(c2cccc(F)c2C(N)=O)C1 NC(=O)[*:1] C[C@@H]1C[C@@H]([NH3+])CN(C1)c1cccc(F)c1[*:1]
O=CNc1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=CNc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1[*:1]
O=CNc1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 O=CN[*:1] O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(cc1)[*:1]
O=CNc1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] O=CNc1ccc(cc1)C(=O)N[C@@H]1CCC[C@@H]1C[*:1]
C[C@H]1CN(C(=O)C2=C(c3ccc(F)cc3)N=NC2)C[C@H](C)O1 Fc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)C1CN=NC=1[*:1]
C[C@H]1Cc2cc(CC(=O)N3CCC[C@@H](COc4ccccc4F)C3)ccc2O1 Fc1ccccc1OC[*:1] C[C@H]1Cc2cc(ccc2O1)CC(=O)N1CCC[C@@H](C1)[*:1]
C[C@H]1Cc2cc(CC(=O)N3CCC[C@@H](COc4ccccc4F)C3)ccc2O1 Fc1ccccc1O[*:1] C[C@H]1Cc2cc(ccc2O1)CC(=O)N1CCC[C@H](C1)C[*:1]
C[C@H]1Cc2cc(CC(=O)N3CCC[C@@H](COc4ccccc4F)C3)ccc2O1 Fc1ccccc1[*:1] C[C@H]1Cc2cc(ccc2O1)CC(=O)N1CCC[C@@H](CO[*:1])C1
O=S(=O)([N-]c1ccc(Oc2cccnc2)nc1)c1cccs1 c1csc(c1)[*:1] O=S(=O)([N-]c1ccc(nc1)Oc1cccnc1)[*:1]
O=S(=O)([N-]c1ccc(Oc2cccnc2)nc1)c1cccs1 c1cncc(c1)[*:1] O=S(=O)([N-]c1ccc(nc1)O[*:1])c1cccs1
O=S(=O)([N-]c1ccc(Oc2cccnc2)nc1)c1cccs1 c1cncc(c1)O[*:1] O=S(=O)([N-]c1ccc(nc1)[*:1])c1cccs1
CCN(C(=O)C[C@@H]1CCS(=O)(=O)C1)[C@H](C)c1cccc(OC)c1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)C[*:1])[C@H](C)c1cccc(c1)OC
O=C(NC[C@H]1CCC2(CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)O1)c1ccccn1 O=C(NC[*:1])c1ccccn1 O=C(c1cccc(c1)-c1ccc(F)cc1)N1CCC2(CC[C@@H](O2)[*:1])CC1
O=C(NC[C@H]1CCC2(CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)O1)c1ccccn1 c1ccc(nc1)[*:1] O=C(c1cccc(c1)-c1ccc(F)cc1)N1CCC2(CC[C@H](CNC(=O)[*:1])O2)CC1
O=C(NC[C@H]1CCC2(CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)O1)c1ccccn1 Fc1ccc(cc1)[*:1] O=C(NC[C@H]1CCC2(CCN(CC2)C(=O)c2cccc(c2)[*:1])O1)c1ccccn1
O=C(NC[C@H]1CCC2(CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)O1)c1ccccn1 O=C(N[*:1])c1ccccn1 O=C(c1cccc(c1)-c1ccc(F)cc1)N1CCC2(CC[C@H](C[*:1])O2)CC1
COc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1N1CCCC1=O Clc1ccccc1[*:1] COc1cc(ccc1N1CCCC1=O)NS(=O)(=O)[*:1]
COc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1N1CCCC1=O O=C1CCCN1[*:1] COc1cc(ccc1[*:1])NS(=O)(=O)c1ccccc1Cl
Cc1cc(N2CCC(O)(c3ccccc3)CC2)n2nc(C)c(C)c2n1 c1ccc(cc1)[*:1] Cc1cc(N2CCC(O)(CC2)[*:1])n2nc(C)c(C)c2n1
COc1ccc([C@H]2C[C@@H](C)N(C(=O)C#Cc3ccccc3)C2)cc1 C(#C[*:1])c1ccccc1 COc1ccc(cc1)[C@H]1C[C@@H](C)N(C1)C(=O)[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)C#Cc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](C)N(C1)C(=O)C#C[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)C#Cc3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1C(=O)C#Cc1ccccc1)[*:1]
COc1ccc(C(=O)CCCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 COc1ccc(cc1)[*:1] O=C(CCCC(=O)[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
Cc1cccc(/N=C(\NC(=[NH2+])NC(=O)c2ccccc2)Nc2nc(C)cc(C)n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)/N=C(\NC(=[NH2+])NC(=O)[*:1])Nc1nc(C)cc(C)n1
Cc1cccc(/N=C(\NC(=[NH2+])NC(=O)c2ccccc2)Nc2nc(C)cc(C)n2)c1 Cc1cccc(c1)[*:1] Cc1cc(C)nc(n1)NC(=N[*:1])NC(=[NH2+])NC(=O)c1ccccc1
Cc1cccc(/N=C(\NC(=[NH2+])NC(=O)c2ccccc2)Nc2nc(C)cc(C)n2)c1 Cc1cc(C)nc(n1)[*:1] Cc1cccc(c1)/N=C(\NC(=[NH2+])NC(=O)c1ccccc1)N[*:1]
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)nn1C Cc1cc(nn1C)[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[*:1]
Cc1ccc(NC(=O)NNC(=O)c2ccc(Cl)nc2)c(Cl)c1 Clc1ccc(cn1)[*:1] Cc1ccc(NC(=O)NNC(=O)[*:1])c(Cl)c1
CC(C)(CNC(=O)[C@H]1CC[C@@H](C[NH3+])O1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNC(=O)[C@H]1CC[C@@H](C[NH3+])O1)[*:1]
Cn1cc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)cn1 Cn1cc(cn1)[*:1] O=C(N1CCC[C@@H]1c1cc[nH]n1)[*:1]
Cn1cc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)cn1 c1cc(n[nH]1)[*:1] Cn1cc(cn1)C(=O)N1CCC[C@H]1[*:1]
C/C(=N\Nc1ncnc2sc(C)c(C)c12)c1cccc(N)c1 Nc1cccc(c1)[*:1] CC(=NNc1ncnc2sc(C)c(C)c12)[*:1]
O=C(Cc1ccc(Br)cc1)NCCC[NH+]1CCc2ccccc2C1 Brc1ccc(cc1)[*:1] O=C(C[*:1])NCCC[NH+]1CCc2ccccc2C1
O=C(Cc1ccc(Br)cc1)NCCC[NH+]1CCc2ccccc2C1 Brc1ccc(cc1)C[*:1] O=C(NCCC[NH+]1CCc2ccccc2C1)[*:1]
CN(Cc1ccccc1F)C(=O)NCCc1c(F)cccc1F Fc1ccccc1[*:1] CN(C[*:1])C(=O)NCCc1c(F)cccc1F
Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(-c3cc[nH]n3)cc1)CCC2 c1cc(n[nH]1)[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)Nc1ccc(cc1)[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2ccco2)on1 c1coc(c1)[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(on1)[*:1]
CCOc1ccc(NC(=O)Cn2c(=O)c3c(OC)c(CC)cnc3n(C)c2=O)cc1 CCO[*:1] CCc1cnc2c(c1OC)c(=O)n(CC(=O)Nc1ccc(cc1)[*:1])c(=O)n2C
CCOc1ccc(NC(=O)Cn2c(=O)c3c(OC)c(CC)cnc3n(C)c2=O)cc1 CCOc1ccc(cc1)[*:1] CCc1cnc2c(c1OC)c(=O)n(CC(=O)N[*:1])c(=O)n2C
CCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1 c1coc(c1)[*:1] CCc1nc2oc3ccccc3c(=O)c2c(=O)n1C[*:1]
CCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccco1 c1coc(c1)C[*:1] CCc1nc2oc3ccccc3c(=O)c2c(=O)n1[*:1]
CC[C@@H](CSC)N(C)C(=O)[C@@H](c1ccccc1)C1CC1 CSC[*:1] CC[C@@H](N(C)C(=O)[C@@H](c1ccccc1)C1CC1)[*:1]
CC[C@@H](CSC)N(C)C(=O)[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] CC[C@@H](CSC)N(C)C(=O)[C@@H](C1CC1)[*:1]
CC[C@@H](CSC)N(C)C(=O)[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] CC[C@@H](CSC)N(C)C(=O)[C@@H](c1ccccc1)[*:1]
C[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cc(ccc1Cl)S(C)(=O)=O)[*:1]
C[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 CS(=O)(=O)[*:1] C[C@@H](OC(=O)c1cc(ccc1Cl)[*:1])c1ccccc1
Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 CC(C)(C)[*:1] Cn1nc(cc1C(=O)N1CCC[C@@H](C1)c1[nH]cc[nH+]1)[*:1]
Cc1nc(CN2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)no1 c1coc(c1)[*:1] Cc1nc(CN2CCN(CC2)C(=O)c2cc(on2)[*:1])no1
Cc1nc(CN2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)no1 Cc1nc(C[*:1])no1 O=C(c1cc(on1)-c1ccco1)N1CCN(CC1)[*:1]
Cc1nc(CN2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)no1 Cc1nc(no1)[*:1] O=C(c1cc(on1)-c1ccco1)N1CCN(CC1)C[*:1]
CSCCCCNC(=O)N1CCC[C@H](NC(C)=O)C1 CSCCCC[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)N[*:1]
CSCCCCNC(=O)N1CCC[C@H](NC(C)=O)C1 CSC[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)NCCC[*:1]
CSCCCCNC(=O)N1CCC[C@H](NC(C)=O)C1 CC(=O)N[*:1] CSCCCCNC(=O)N1CCC[C@H](C1)[*:1]
CSCCCCNC(=O)N1CCC[C@H](NC(C)=O)C1 CSCCC[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)NC[*:1]
CSCCCCNC(=O)N1CCC[C@H](NC(C)=O)C1 CSCC[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)NCC[*:1]
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2CCN(C(C)=O)CC2)ccc1C CC(=O)N1CCN(CC1)[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1C)NC(=O)[C@@H](C)[*:1]
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2CCN(C(C)=O)CC2)ccc1C CCN(CC)S(=O)(=O)[*:1] CC(=O)N1CCN(CC1)[C@H](C)C(=O)Nc1ccc(C)c(c1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)NCCCc1ccc(O)cc1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)NCCCc1ccc(O)cc1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)NCCCc1ccc(O)cc1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)NCCCc1ccc(O)cc1
C[C@H](Cc1cccs1)N(C)C(=O)NCCCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] C[C@H](Cc1cccs1)N(C)C(=O)NCCC[*:1]
COC(=O)[C@H]1CN(Cc2ccc(OC)s2)C[C@@H]1C COC(=O)[*:1] COc1ccc(CN2C[C@H](C)[C@H](C2)[*:1])s1
O=C(Nc1ccnn1C1CCN(C(=O)Cc2c(F)ccc(F)c2F)CC1)C1CC1 Fc1ccc(F)c(c1F)[*:1] O=C(Nc1ccnn1C1CCN(CC1)C(=O)C[*:1])C1CC1
O=C(Nc1ccnn1C1CCN(C(=O)Cc2c(F)ccc(F)c2F)CC1)C1CC1 O=C(N[*:1])C1CC1 O=C(Cc1c(F)ccc(F)c1F)N1CCC(CC1)n1nccc1[*:1]
O=C(Nc1ccnn1C1CCN(C(=O)Cc2c(F)ccc(F)c2F)CC1)C1CC1 C1CC1[*:1] O=C(Cc1c(F)ccc(F)c1F)N1CCC(CC1)n1nccc1NC(=O)[*:1]
CCc1ccc2nc(NC(=O)c3ccccc3S(=O)(=O)CC)sc2c1 CCS(=O)(=O)[*:1] CCc1ccc2nc(NC(=O)c3ccccc3[*:1])sc2c1
Cc1cc(F)ccc1CCNC(=O)NC[C@@](C)(O)C(=O)[O-] O=C([O-])[*:1] Cc1cc(F)ccc1CCNC(=O)NC[C@@](C)(O)[*:1]
Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 Cc1nc2ccccc2n1[*:1] C[C@@H](C[*:1])C(=O)Nc1ccccc1OC[C@@H]1CCCCO1
Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 C1CC[C@@H](C[*:1])OC1 Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1O[*:1]
Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 C1CC[C@@H](CO[*:1])OC1 Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1[*:1]
Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1OC[*:1]
CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(Cl)cc1 CC(C)(C)[*:1] NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)[C@H](C(=O)N[*:1])c2cccs2)c1N
CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(Cl)cc1 c1csc(c1)[*:1] CC(C)(C)NC(=O)[C@H](N(C(=O)c1snc(C(N)=O)c1N)c1ccc(Cl)cc1)[*:1]
CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(Cl)cc1 NC(=O)c1nsc(c1N)[*:1] CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)[*:1])c1ccc(Cl)cc1
CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(Cl)cc1 NC(=O)[*:1] CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1snc(c1N)[*:1])c1ccc(Cl)cc1
CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(Cl)cc1 CC(C)(C)NC(=O)[*:1] NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)[C@@H](c2cccs2)[*:1])c1N
CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)[*:1]
CC1(C)CCC[C@H]1NC(=O)NC[C@@]1(O)CCSC1 O[C@]1(CCSC1)[*:1] CC1(C)CCC[C@H]1NC(=O)NC[*:1]
O=S(=O)(c1cccc(F)c1)N1CCN(C[C@H](O)c2ccccc2)CC1 O[C@H](c1ccccc1)[*:1] O=S(=O)(c1cccc(F)c1)N1CCN(CC1)C[*:1]
O=S(=O)(c1cccc(F)c1)N1CCN(C[C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(c1cccc(F)c1)N1CCN(CC1)C[C@H](O)[*:1]
O=S(=O)(c1cccc(F)c1)N1CCN(C[C@H](O)c2ccccc2)CC1 Fc1cccc(c1)[*:1] O=S(=O)(N1CCN(CC1)C[C@H](O)c1ccccc1)[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccoc1C Cc1occc1[*:1] C=CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1cc(Cl)ccc1C
C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccoc1C C=CC[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)n1[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccoc1C Cc1ccc(Cl)cc1[*:1] C=CCn1c(nnc1-c1ccoc1C)S[C@H](C)C(=O)N[*:1]
COc1ccc(OC)c(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)c1 c1cc2OCCOc2cc1[*:1] COc1ccc(OC)c(c1)N1C[C@](O)([N+]2CCCCCC=21)[*:1]
COc1ccc(OC)c(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)c1 COc1ccc(OC)c(c1)[*:1] O[C@@]1(CN(C2CCCCC[N+]=21)[*:1])c1ccc2OCCOc2c1
O=C(NCc1ccncc1)NC1CCC(c2ccccc2)CC1 c1cc(ccn1)[*:1] O=C(NC[*:1])NC1CCC(CC1)c1ccccc1
O=C(NCc1ccncc1)NC1CCC(c2ccccc2)CC1 c1cc(ccn1)C[*:1] O=C(NC1CCC(CC1)c1ccccc1)N[*:1]
O=C(NCc1ccncc1)NC1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCc1ccncc1)NC1CCC(CC1)[*:1]
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2Br)ccc1Cl COC(=O)[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)[N-]c1ccc(Cl)c(c1)[*:1]
COC(=O)C[C@@H]1C(=O)Oc2cc(OCc3nnn[n-]3)ccc2[C@H]1C COC(=O)[*:1] C[C@@H]1c2ccc(cc2OC(=O)[C@H]1C[*:1])OCc1nnn[n-]1
COC(=O)C[C@@H]1C(=O)Oc2cc(OCc3nnn[n-]3)ccc2[C@H]1C COC(=O)C[*:1] C[C@@H]1c2ccc(cc2OC(=O)[C@H]1[*:1])OCc1nnn[n-]1
C[C@H]1CCC[C@@](C[NH3+])(N(C)CCS(C)(=O)=O)CC1 CS(=O)(=O)C[*:1] C[C@H]1CCC[C@](C[NH3+])(CC1)N(C)C[*:1]
C[C@H]1CCC[C@@](C[NH3+])(N(C)CCS(C)(=O)=O)CC1 CS(=O)(=O)CC[*:1] C[C@H]1CCC[C@](C[NH3+])(CC1)N(C)[*:1]
C[C@H]1CCC[C@@](C[NH3+])(N(C)CCS(C)(=O)=O)CC1 CS(=O)(=O)[*:1] C[C@H]1CCC[C@](C[NH3+])(CC1)N(C)CC[*:1]
CSCC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 NC(=O)[*:1] CSCC[C@@H](C)[NH2+][C@H](c1ccccc1)[*:1]
CSCC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 CSCC[*:1] C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)[*:1]
CSCC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 CSC[*:1] C[C@H](C[*:1])[NH2+][C@H](C(N)=O)c1ccccc1
C[NH+](C)C(C)(C)CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 c1cc(cc[nH+]1)[*:1] C[NH+](C)C(C)(C)CNC(=O)N1CCN(CC1)[*:1]
CCC(CC)(CC(=O)Nc1cccc(OC)c1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(CC(=O)Nc1cccc(c1)OC)[*:1]
CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)NC(=O)C[*:1]
CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(F)cc2)c1 CS(=O)(=O)[*:1] O=C(Cc1ccc(F)cc1)Nc1cc(ccc1Cl)[*:1]
O=C(Cc1noc(CCc2cccc(Cl)c2Cl)n1)NC1CCCC1 O=C(NC1CCCC1)[*:1] Clc1cccc(CCc2nc(C[*:1])no2)c1Cl
O=C(Cc1noc(CCc2cccc(Cl)c2Cl)n1)NC1CCCC1 Clc1cccc(c1Cl)[*:1] O=C(Cc1noc(CC[*:1])n1)NC1CCCC1
O=C(Cc1noc(CCc2cccc(Cl)c2Cl)n1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cc1noc(CCc2cccc(Cl)c2Cl)n1)N[*:1]
CN(CC(=O)[O-])C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 O=C([O-])[*:1] CN(C[*:1])C(=O)[C@@H]1CC[C@@H](C[NH3+])O1
CN(CC(=O)[O-])C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 O=C([O-])C[*:1] CN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)[*:1]
O=c1n(C[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc2ccccn12 O=S1(=O)CC[C@@H](C1)[*:1] O=c1n(C[NH+]2CCN(CC2)[*:1])nc2ccccn12
O=C(COC(=O)Cn1cnnn1)NC(=O)c1ccccc1 c1nnnn1[*:1] O=C(COC(=O)C[*:1])NC(=O)c1ccccc1
O=C(COC(=O)Cn1cnnn1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(COC(=O)Cn1cnnn1)NC(=O)[*:1]
O=C(COC(=O)Cn1cnnn1)NC(=O)c1ccccc1 c1nnnn1C[*:1] O=C(COC(=O)[*:1])NC(=O)c1ccccc1
Cc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)n2ncnc2n1 C(=C[*:1])c1ccccc1 Cc1cc(N2CC[NH+](CC2)C[*:1])n2ncnc2n1
Cc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)n2ncnc2n1 c1ccc(cc1)[*:1] Cc1cc(N2CC[NH+](CC=C[*:1])CC2)n2ncnc2n1
Cc1ccsc1[C@@H](Cc1ccccc1)N[C@H](C)c1cccnc1 c1ccc(cc1)C[*:1] Cc1ccsc1[C@@H](N[C@H](C)c1cccnc1)[*:1]
Cc1ccsc1[C@@H](Cc1ccccc1)N[C@H](C)c1cccnc1 Cc1ccsc1[*:1] C[C@@H](N[C@H](Cc1ccccc1)[*:1])c1cccnc1
Cc1ccsc1[C@@H](Cc1ccccc1)N[C@H](C)c1cccnc1 c1cncc(c1)[*:1] Cc1ccsc1[C@@H](Cc1ccccc1)N[C@H](C)[*:1]
Cc1ccsc1[C@@H](Cc1ccccc1)N[C@H](C)c1cccnc1 c1ccc(cc1)[*:1] Cc1ccsc1[C@@H](C[*:1])N[C@H](C)c1cccnc1
COc1ccc(CCNS(=O)(=O)c2cc(F)cc(F)c2)cc1OC Fc1cc(F)cc(c1)[*:1] COc1ccc(cc1OC)CCNS(=O)(=O)[*:1]
CCCn1c(C)cc2cc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)ccc21 CCC[*:1] Cc1cc2cc(ccc2n1[*:1])NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O
O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(I)cc2)C2CC2)cc1 O=C(NC1CC1)[*:1] O=C(c1ccc(I)cc1)N(Cc1ccc(cc1)[*:1])C1CC1
O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(I)cc2)C2CC2)cc1 Ic1ccc(cc1)[*:1] O=C(NC1CC1)c1ccc(cc1)CN(C(=O)[*:1])C1CC1
O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(I)cc2)C2CC2)cc1 C1CC1[*:1] O=C(NC1CC1)c1ccc(cc1)CN(C(=O)c1ccc(I)cc1)[*:1]
O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(I)cc2)C2CC2)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(cc1)CN(C(=O)c1ccc(I)cc1)C1CC1
O=C(C1CC1)N1CCC(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 O=[N+]([O-])[*:1] O=C(C1CC1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1[*:1]
O=C(C1CC1)N1CCC(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 C1CC1[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCN(CC1)c1ccc(Cl)cc1[N+](=O)[O-]
C[C@@H]1CCC[C@@]([C@H](O)C(C)(C)C)([NH+](C)C)C1 CC(C)(C)[*:1] C[C@@H]1CCC[C@@](C1)([C@H](O)[*:1])[NH+](C)C
O=C(NCCc1ccc2c(c1)OCCO2)c1cc(-c2ccccn2)nc2ccccc12 c1ccc(nc1)[*:1] O=C(NCCc1ccc2OCCOc2c1)c1cc(nc2ccccc12)[*:1]
O=C(NCCc1ccc2c(c1)OCCO2)c1cc(-c2ccccn2)nc2ccccc12 c1cc2OCCOc2cc1[*:1] O=C(NCC[*:1])c1cc(nc2ccccc12)-c1ccccn1
CCc1cnc(CN2CCC[C@@H](c3nnc4ccccn34)C2)o1 CCc1cnc(o1)[*:1] c1ccn2c(nnc2c1)[C@@H]1CCCN(C1)C[*:1]
C[C@@H](CO)[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] C[C@@H](CO)[NH2+][C@@H](c1ccc(F)cc1)[*:1]
CCc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)o1 CCc1ccc(o1)[*:1] O=C(Nc1cccc(c1)-c1nnn[n-]1)[*:1]
Cc1cc(F)ccc1CCNC(=O)N[C@H](c1nccs1)C1CC1 C1CC1[*:1] Cc1cc(F)ccc1CCNC(=O)N[C@H](c1nccs1)[*:1]
Cc1cc(F)ccc1CCNC(=O)N[C@H](c1nccs1)C1CC1 c1csc(n1)[*:1] Cc1cc(F)ccc1CCNC(=O)N[C@H](C1CC1)[*:1]
Cc1ccccc1Oc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]1C(N)=O Cc1ccccc1O[*:1] NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1[*:1]
Cc1ccccc1Oc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]1C(N)=O NC(=O)[*:1] Cc1ccccc1Oc1ccccc1CNC(=O)N[C@H]1CCC[C@H]1[*:1]
Cc1ccccc1Oc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]1C(N)=O Cc1ccccc1[*:1] NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1O[*:1]
Cc1cccn2cc(CCN[C@@H](C)c3nccs3)nc12 c1csc(n1)[*:1] Cc1cccn2cc(CCN[C@@H](C)[*:1])nc12
CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cc(C)no1 CC[C@@H](C)[*:1] Cc1cc(on1)[C@H]1CCCN1C(=O)N[*:1]
CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cc(C)no1 Cc1cc(on1)[*:1] CC[C@@H](C)NC(=O)N1CCC[C@H]1[*:1]
COc1ccc(CC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(N1CCCN(CC1)S(=O)(=O)c1ccccc1)[*:1]
COc1ccc(CC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])N1CCCN(CC1)S(=O)(=O)c1ccccc1
COc1ccc(CC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N1CCCN(CC1)S(=O)(=O)[*:1]
C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H]([NH2+]CC1(CC1)[C@H](O)c1ccccc1)[*:1]
C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1cnn(C)c1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]CC1(CC1)[C@H](O)[*:1])c1cnn(C)c1
COc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
CC(C)(C)c1ccc(NC(=O)c2cccc(F)c2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(F)c1
CC[NH2+][C@@H](C)c1ccn(CC(=O)OC)c1 COC(=O)C[*:1] CC[NH2+][C@@H](C)c1ccn(c1)[*:1]
CC[NH2+][C@@H](C)c1ccn(CC(=O)OC)c1 COC(=O)[*:1] CC[NH2+][C@@H](C)c1ccn(c1)C[*:1]
Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)cc1F Fc1ccccc1C[*:1] Cc1ccc(cc1F)NC(=O)NCC1CC[NH+](CC1)[*:1]
Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)cc1F Cc1ccc(cc1F)[*:1] O=C(NCC1CC[NH+](CC1)Cc1ccccc1F)N[*:1]
Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)cc1F Fc1ccccc1[*:1] Cc1ccc(cc1F)NC(=O)NCC1CC[NH+](CC1)C[*:1]
Cc1cccnc1CC(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccnc1CC(=O)c1ccccc1[*:1]
Cc1ccc(N2C(=O)CCC2=O)cc1NC(=O)Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] Cc1ccc(cc1NC(=O)C[*:1])N1C(=O)CCC1=O
Cc1ccc(N2C(=O)CCC2=O)cc1NC(=O)Cc1ccc(F)c(F)c1 O=C1CCC(=O)N1[*:1] Cc1ccc(cc1NC(=O)Cc1ccc(F)c(F)c1)[*:1]
CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CCN(c3ccccc3)CC1)CCCC2 CC(=O)N[*:1] c1ccc(cc1)N1CCN(CC1)[C@H](c1ccccn1)c1c(sc2CCCCc21)[*:1]
CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CCN(c3ccccc3)CC1)CCCC2 c1ccc(nc1)[*:1] CC(=O)Nc1sc2CCCCc2c1[C@@H](N1CCN(CC1)c1ccccc1)[*:1]
CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CCN(c3ccccc3)CC1)CCCC2 c1ccc(cc1)[*:1] CC(=O)Nc1sc2CCCCc2c1[C@@H](c1ccccn1)N1CCN(CC1)[*:1]
N#Cc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 Fc1ccc(cc1)[*:1] N#Cc1cccc(/C=C(\Cl)c2nnc(s2)C(=O)N[*:1])c1
N#Cc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 N#Cc1cccc(c1)[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)C(Cl)=C[*:1]
O=C(CS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])Nc1ccc2OCCOc2c1
CN(CCc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)-c1ccccc1
CN(CCc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(CCc1ccccc1)C(=O)c1ccc(cc1)[*:1]
CN(CCc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)C[*:1] CN(C[*:1])C(=O)c1ccc(cc1)-c1ccccc1
CN(CCc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)CC[*:1] CN(C(=O)c1ccc(cc1)-c1ccccc1)[*:1]
COc1ccccc1CNC(=O)[C@@H](C)[S@@](=O)Cc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 COc1ccccc1CNC(=O)[C@@H](C)[S@@](=O)[*:1]
COc1ccccc1CNC(=O)[C@@H](C)[S@@](=O)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] COc1ccccc1CNC(=O)[C@@H](C)[S@@](=O)C[*:1]
CC[NH2+]Cc1c(C)nn(C)c1N(C)[C@@H](C)CC CC[C@H](C)[*:1] CC[NH2+]Cc1c(C)nn(C)c1N(C)[*:1]
CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCn1cccn1 c1cnn(c1)C[*:1] CCC[NH2+][C@@]1(CCC[C@@H]1C[*:1])C(N)=O
CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCn1cccn1 NC(=O)[*:1] CCC[NH2+][C@@]1(CCC[C@@H]1CCn1cccn1)[*:1]
CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCn1cccn1 c1cnn(c1)[*:1] CCC[NH2+][C@@]1(CCC[C@@H]1CC[*:1])C(N)=O
CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCn1cccn1 CCC[*:1] NC(=O)[C@]1(CCC[C@@H]1CCn1cccn1)[NH2+][*:1]
CC(C)[C@H](NC(=O)Cn1ccc2c(Br)cccc21)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NC(=O)Cn1ccc2c(Br)cccc21)[*:1]
CC(C)[C@H](NC(=O)Cn1ccc2c(Br)cccc21)C(=O)[O-] CC(C)[*:1] O=C(Cn1ccc2c(Br)cccc21)N[C@H](C(=O)[O-])[*:1]
Cc1ccc(CCC(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(CC2)C(=O)CC[*:1]
Cc1ccc(CCC(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)cc1 Cc1ccc(cc1)C[*:1] CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(CC2)C(=O)C[*:1]
Cc1ccc(CCC(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)cc1 O=C([O-])[*:1] Cc1ccc(cc1)CCC(=O)N1CCC2(CC1)[C@H](CC(=O)N2C)[*:1]
Cc1nc(S[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)oc1C Cc1nc(oc1C)[*:1] CC(C)[C@@H](S[*:1])C(=O)N[C@]1(C)CCS(=O)(=O)C1
Cc1nc(S[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)oc1C CC(C)[*:1] Cc1nc(oc1C)S[C@@H](C(=O)N[C@]1(C)CCS(=O)(=O)C1)[*:1]
C[C@@H](O)CC(C)(C)CNc1cccc(F)c1C#N C[C@@H](O)[*:1] CC(C)(CNc1cccc(F)c1C#N)C[*:1]
C[C@@H](O)CC(C)(C)CNc1cccc(F)c1C#N C[C@@H](O)C[*:1] CC(C)(CNc1cccc(F)c1C#N)[*:1]
CCc1ccc(CNC(=O)CCN2C(=O)CCc3ccccc32)s1 CCc1ccc(s1)[*:1] O=C(CCN1C(=O)CCc2ccccc21)NC[*:1]
CCc1ccc(CNC(=O)CCN2C(=O)CCc3ccccc32)s1 CCc1ccc(C[*:1])s1 O=C(CCN1C(=O)CCc2ccccc21)N[*:1]
CCCS(=O)(=O)CC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CCCS(=O)(=O)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C[*:1]
CCCS(=O)(=O)CC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CCC[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)CS(=O)(=O)[*:1]
CCCCN(C)C(=O)C(=O)Nc1ccc(OC)c(F)c1 CCC[*:1] COc1ccc(cc1F)NC(=O)C(=O)N(C)C[*:1]
CCCCN(C)C(=O)C(=O)Nc1ccc(OC)c(F)c1 CCCC[*:1] COc1ccc(cc1F)NC(=O)C(=O)N(C)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NCc2ccsc2)C1 CC(C)[*:1] O=C(NCc1ccsc1)N1CC[C@@H](C1)OCC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NCc2ccsc2)C1 CC(C)CC[*:1] O=C(NCc1ccsc1)N1CC[C@@H](C1)O[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NCc2ccsc2)C1 c1cc(cs1)C[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)N[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NCc2ccsc2)C1 CC(C)CCO[*:1] O=C(NCc1ccsc1)N1CC[C@@H](C1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NCc2ccsc2)C1 c1cc(cs1)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)NC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)NCc2ccsc2)C1 CC(C)C[*:1] O=C(NCc1ccsc1)N1CC[C@@H](C1)OC[*:1]
CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1OCC(F)(F)F FC(F)(F)CO[*:1] CC[NH2+][C@@H]1c2cc(ccc2CC[C@@H]1[*:1])OC
CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1OCC(F)(F)F FC(F)(F)C[*:1] CC[NH2+][C@@H]1c2cc(ccc2CC[C@H]1O[*:1])OC
CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1OCC(F)(F)F FC(F)(F)[*:1] CC[NH2+][C@@H]1c2cc(ccc2CC[C@H]1OC[*:1])OC
CCCC1CCC(O)(C2(C#N)CCOCC2)CC1 CCC[*:1] N#CC1(CCOCC1)C1(O)CCC(CC1)[*:1]
C[C@H](OCC1CC1)C(=O)Nc1sc2c(c1C#N)CCCC2 C1CC1C[*:1] C[C@H](O[*:1])C(=O)Nc1sc2CCCCc2c1C#N
C[C@H](OCC1CC1)C(=O)Nc1sc2c(c1C#N)CCCC2 C1CC1[*:1] C[C@H](OC[*:1])C(=O)Nc1sc2CCCCc2c1C#N
C[C@H](OCC1CC1)C(=O)Nc1sc2c(c1C#N)CCCC2 C[C@H](OCC1CC1)[*:1] N#Cc1c(NC(=O)[*:1])sc2CCCCc21
C[C@H](OCC1CC1)C(=O)Nc1sc2c(c1C#N)CCCC2 C1CC1CO[*:1] C[C@H](C(=O)Nc1sc2CCCCc2c1C#N)[*:1]
Cc1cc(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c(C)n1CC1CC1 C1CC1[*:1] Cc1cc(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c(C)n1C[*:1]
Cc1cc(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c(C)n1CC1CC1 NC(=O)[*:1] Cc1cc(C(=O)N[C@@H]2CCCCC[C@H]2[*:1])c(C)n1CC1CC1
Cc1cc(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c(C)n1CC1CC1 C1CC1C[*:1] Cc1cc(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c(C)n1[*:1]
C[C@H](CCc1ccccc1)NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](CCc1ccccc1)NC(=O)N[*:1]
C[C@H](CCc1ccccc1)NC(=O)NC1CCCCC1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)NC1CCCCC1
CCc1cccc2sc(N(C[C@H]3CCCO3)C(=O)COc3ccc(F)cc3)nc12 Fc1ccc(cc1)O[*:1] CCc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)C[*:1]
CCc1cccc2sc(N(C[C@H]3CCCO3)C(=O)COc3ccc(F)cc3)nc12 Fc1ccc(cc1)[*:1] CCc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)CO[*:1]
CCc1cccc2sc(N(C[C@H]3CCCO3)C(=O)COc3ccc(F)cc3)nc12 Fc1ccc(cc1)OC[*:1] CCc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 Cc1cc(Cl)ccc1O[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 O=C(Nc1ccccc1)[*:1] Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@H](C1)[*:1]
Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 Cc1cc(Cl)ccc1[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)CO[*:1]
C=CCNC(=O)NCCCOC1CCCC1 C=CC[*:1] O=C(NCCCOC1CCCC1)N[*:1]
C=CCNC(=O)NCCCOC1CCCC1 C1CCC(C1)[*:1] C=CCNC(=O)NCCCO[*:1]
O=C(Nc1ccc(F)c(F)c1)c1cnn2c(-c3ccco3)ccnc12 Fc1ccc(cc1F)[*:1] O=C(N[*:1])c1cnn2c(ccnc12)-c1ccco1
O=C(Nc1ccc(F)c(F)c1)c1cnn2c(-c3ccco3)ccnc12 c1coc(c1)[*:1] O=C(Nc1ccc(F)c(F)c1)c1cnn2c(ccnc12)[*:1]
CCOc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(C)c(Cl)c2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)-n1c(nc2n[nH]cc2c1=O)SCC(=O)N[*:1]
CCOc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(C)c(Cl)c2)cc1 Cc1ccc(cc1Cl)[*:1] CCOc1ccc(cc1)NC(=O)CSc1nc2n[nH]cc2c(=O)n1[*:1]
CCOc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(C)c(Cl)c2)cc1 CCO[*:1] Cc1ccc(cc1Cl)-n1c(nc2n[nH]cc2c1=O)SCC(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1SC[C@@H]1CCCO1 c1cn2cc(nc2s1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1SC[C@@H]1CCCO1
CCCOc1c(Cl)cc(/C=C2/NC(=S)N(c3ccccc3)C2=O)cc1OCC CCC[*:1] CCOc1cc(/C=C2/NC(=S)N(C2=O)c2ccccc2)cc(Cl)c1O[*:1]
CCCOc1c(Cl)cc(/C=C2/NC(=S)N(c3ccccc3)C2=O)cc1OCC CCO[*:1] CCCOc1c(Cl)cc(/C=C2/NC(=S)N(C2=O)c2ccccc2)cc1[*:1]
CCCOc1c(Cl)cc(/C=C2/NC(=S)N(c3ccccc3)C2=O)cc1OCC c1ccc(cc1)[*:1] CCCOc1c(Cl)cc(/C=C2/NC(=S)N(C2=O)[*:1])cc1OCC
CCCOc1c(Cl)cc(/C=C2/NC(=S)N(c3ccccc3)C2=O)cc1OCC CCCO[*:1] CCOc1cc(/C=C2/NC(=S)N(C2=O)c2ccccc2)cc(Cl)c1[*:1]
C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1cccc(OC(F)F)c1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]Cc1cnn(n1)[*:1])c1cccc(c1)OC(F)F
C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@@H]([NH2+]Cc1cnn(n1)-c1ccccc1)c1cccc(c1)O[*:1]
C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@@H]([NH2+]Cc1cnn(n1)-c1ccccc1)c1cccc(c1)[*:1]
O=C(C[C@@H](O)c1ccccc1)Nc1cc(F)ccc1O c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])Nc1cc(F)ccc1O
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2ccno2)s1 c1cc(on1)[*:1] CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(s1)[*:1]
COc1ccc2nc(NCC[S@@](=O)C(C)(C)C)c(C)cc2c1 CC(C)(C)[*:1] COc1ccc2nc(NCC[S@@](=O)[*:1])c(C)cc2c1
CCCCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 CCC[*:1] O=C(C[*:1])Nc1ccccc1-c1nc(no1)-c1ccccc1
CCCCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CCCCC(=O)Nc1ccccc1-c1nc(no1)[*:1]
CCCCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 CCCC[*:1] O=C(Nc1ccccc1-c1nc(no1)-c1ccccc1)[*:1]
CCCCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 CCCCC(=O)N[*:1] c1ccc(cc1)-c1noc(n1)-c1ccccc1[*:1]
CC(=O)N[C@@H](CC(=O)NC1CCCC1)c1ccc(Br)cc1 C1CCC(C1)[*:1] CC(=O)N[C@@H](CC(=O)N[*:1])c1ccc(Br)cc1
CC(=O)N[C@@H](CC(=O)NC1CCCC1)c1ccc(Br)cc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccc(Br)cc1)[*:1])NC1CCCC1
CC(=O)N[C@@H](CC(=O)NC1CCCC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)NC1CCCC1)[*:1]
CCC1(CC)CCN([C@H](c2ccc(Cl)s2)[C@@H](C)[NH3+])C1 Clc1ccc(s1)[*:1] CCC1(CC)CCN(C1)[C@H]([C@@H](C)[NH3+])[*:1]
C[C@@H]([NH2+]Cc1ccco1)c1ccc([N+](=O)[O-])cc1 c1coc(c1)C[*:1] C[C@@H]([NH2+][*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@@H]([NH2+]Cc1ccco1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H]([NH2+]Cc1ccco1)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]Cc1ccco1)c1ccc([N+](=O)[O-])cc1 c1coc(c1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(cc1)[N+](=O)[O-]
CCOc1ccc(C(=O)NCCOC)cc1 COCC[*:1] CCOc1ccc(cc1)C(=O)N[*:1]
CCOc1ccc(C(=O)NCCOC)cc1 COC[*:1] CCOc1ccc(cc1)C(=O)NC[*:1]
CCOc1ccc(C(=O)NCCOC)cc1 CCO[*:1] COCCNC(=O)c1ccc(cc1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 COC(=O)[*:1] CC(C)[C@H](C)C(=O)N1CCC[C@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 CC(C)[C@H](C)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 CC(C)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)[C@@H](C)[*:1]
Cc1cccc(C2(C(=O)NC[C@@H](C)CN3CCCC3=O)CC2)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)C1(CC1)[*:1])CN1CCCC1=O
Cc1cccc(C2(C(=O)NC[C@@H](C)CN3CCCC3=O)CC2)c1 O=C1CCCN1C[*:1] Cc1cccc(c1)C1(CC1)C(=O)NC[C@@H](C)[*:1]
Cc1cccc(C2(C(=O)NC[C@@H](C)CN3CCCC3=O)CC2)c1 O=C1CCCN1[*:1] Cc1cccc(c1)C1(CC1)C(=O)NC[C@@H](C)C[*:1]
COc1ccc(C2=N/C(=C\c3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)C(=O)O2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C1=N/C(=C\c2ccc(Sc3nccn3C)c(c2)[*:1])C(=O)O1
COc1ccc(C2=N/C(=C\c3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)C(=O)O2)cc1 Cn1ccnc1[*:1] COc1ccc(cc1)C1=N/C(=C\c2ccc(S[*:1])c(c2)[N+](=O)[O-])C(=O)O1
COc1ccc(C2=N/C(=C\c3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)C(=O)O2)cc1 Cn1ccnc1S[*:1] COc1ccc(cc1)C1=N/C(=C\c2ccc(c(c2)[N+](=O)[O-])[*:1])C(=O)O1
COc1ccc(C2=N/C(=C\c3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)C(=O)O2)cc1 COc1ccc(cc1)[*:1] Cn1ccnc1Sc1ccc(/C=C2\N=C(OC2=O)[*:1])cc1[N+](=O)[O-]
CC(C)(C)[C@H](OC(=O)[C@@H]1CCc2cn[nH]c2C1)C(F)(F)F FC(F)(F)[*:1] CC(C)(C)[C@H](OC(=O)[C@@H]1CCc2cn[nH]c2C1)[*:1]
CC(C)(C)[C@H](OC(=O)[C@@H]1CCc2cn[nH]c2C1)C(F)(F)F CC(C)(C)[*:1] O=C(O[C@H](C(F)(F)F)[*:1])[C@@H]1CCc2cn[nH]c2C1
CN(c1ccccn1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 c1ccc(nc1)[*:1] CN(S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)[*:1]
CN(c1ccccn1)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] CN(c1ccccn1)S(=O)(=O)c1ccc(F)c(c1)[*:1]
O=C(c1ccsc1)c1c(Cl)cccc1Cl c1cc(cs1)[*:1] O=C(c1c(Cl)cccc1Cl)[*:1]
C[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)Cn1cc(nn1)-c1ccccc1)[*:1]
C[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ccc(Cl)s1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cn1cc(nn1)[*:1])c1ccc(Cl)s1
O=C(C[NH+]1CCN(CCO)CC1)Nc1ccc(Cl)cn1 OCC[*:1] O=C(C[NH+]1CCN(CC1)[*:1])Nc1ccc(Cl)cn1
O=C(CCC1CCCC1)NNC(=S)NC1CCCCC1 C1CCC(C1)[*:1] O=C(CC[*:1])NNC(=S)NC1CCCCC1
O=C(CCC1CCCC1)NNC(=S)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCC1CCCC1)NNC(=S)N[*:1]
O=C(CCC1CCCC1)NNC(=S)NC1CCCCC1 C1CCC(C1)C[*:1] O=C(C[*:1])NNC(=S)NC1CCCCC1
O=C(/C=C/c1ccc2c(c1)OCO2)OCCN1C(=O)c2ccccc2C1=O c1cc2OCOc2cc1[*:1] O=C(C=C[*:1])OCCN1C(=O)c2ccccc2C1=O
CCOC(=O)C1=C(CN(C)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccco1 c1coc(c1)[*:1] CCOC(=O)C1=C(CN(C)c2ccc(F)cc2)NC(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(CN(C)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccco1 Fc1ccc(cc1)[*:1] CCOC(=O)C1=C(CN(C)[*:1])NC(=O)N[C@@H]1c1ccco1
CCOC(=O)C1=C(CN(C)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccco1 CCOC(=O)[*:1] CN(CC1NC(=O)N[C@@H](C=1[*:1])c1ccco1)c1ccc(F)cc1
CCOC(=O)C1=C(CN(C)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccco1 CN(c1ccc(F)cc1)[*:1] CCOC(=O)C1=C(C[*:1])NC(=O)N[C@@H]1c1ccco1
CO[C@@H]1CCCC[C@H]1NC(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)N(C)C[*:1]
CO[C@@H]1CCCC[C@H]1NC(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)N(C)CC[*:1]
CO[C@@H]1CCCC[C@H]1NC(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)N(C)[*:1]
CCN1CCO[C@H](c2noc([C@@H](C(C)C)[C@@H](C)[NH3+])n2)C1 CC(C)[*:1] CCN1CCO[C@@H](C1)c1noc(n1)[C@@H]([C@@H](C)[NH3+])[*:1]
CCn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 Clc1ccccc1[*:1] CCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(C)cc1-n1ccc(C(=O)N(C)C[C@@H]2CCCO2)n1 C1CO[C@@H](C1)[*:1] COc1ccc(C)cc1-n1ccc(n1)C(=O)N(C)C[*:1]
Cc1ccc(OCC(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC2(CC1)C[C@H]2C(=O)N1CCN(CC1)c1cccc[nH+]1
Cc1ccc(OCC(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 Cc1ccc(cc1)OC[*:1] O=C([C@@H]1CC12CCN(CC2)C(=O)[*:1])N1CCN(CC1)c1cccc[nH+]1
Cc1ccc(OCC(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC2(CC1)C[C@H]2C(=O)N1CCN(CC1)c1cccc[nH+]1
O=C([O-])c1c(F)cccc1NC(=O)C1CCCCC1 O=C([O-])[*:1] O=C(Nc1cccc(F)c1[*:1])C1CCCCC1
O=C([O-])c1c(F)cccc1NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] O=C([O-])c1c(F)cccc1NC(=O)[*:1]
O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 C1CCC(C1)[*:1] O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)[nH]c(=O)n2[*:1]
Cc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)c(Cl)c1 O=S(=O)(c1ccccc1)[*:1] Cc1ccc2c(c1)c(=O)c(cn2CC(=O)Nc1ccc(C)c(Cl)c1)[*:1]
Cc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)c(Cl)c1 c1ccc(cc1)[*:1] Cc1ccc2c(c1)c(=O)c(cn2CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)[*:1]
Cc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)c(Cl)c1 Cc1ccc(cc1Cl)NC(=O)[*:1] Cc1ccc2c(c1)c(=O)c(cn2C[*:1])S(=O)(=O)c1ccccc1
Cc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)c(Cl)c1 Cc1ccc(cc1Cl)[*:1] Cc1ccc2c(c1)c(=O)c(cn2CC(=O)N[*:1])S(=O)(=O)c1ccccc1
O=c1c2cc(NS(=O)(=O)N3CCCC3)ccc2ncn1Cc1ccccc1 O=S(=O)(N[*:1])N1CCCC1 O=c1c2cc(ccc2ncn1Cc1ccccc1)[*:1]
O=c1c2cc(NS(=O)(=O)N3CCCC3)ccc2ncn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=c1c2cc(ccc2ncn1[*:1])NS(=O)(=O)N1CCCC1
O=c1c2cc(NS(=O)(=O)N3CCCC3)ccc2ncn1Cc1ccccc1 c1ccc(cc1)[*:1] O=c1c2cc(ccc2ncn1C[*:1])NS(=O)(=O)N1CCCC1
CCOc1ccc(NC(=O)NCCN2C(=O)c3ccccc3C2=O)cc1 CCO[*:1] O=C(NCCN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(C(=O)Nc2ccc3c(C)n[nH]c3c2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1ccc2c(C)n[nH]c2c1
CCc1ccc(N2C[C@H](C(=O)Nc3cc(C(C)(C)C)ccc3OC)CC2=O)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1])C(C)(C)C
CCc1ccc(N2C[C@H](C(=O)Nc3cc(C(C)(C)C)ccc3OC)CC2=O)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1cc(ccc1OC)[*:1]
Cc1ccsc1CNC(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 Cc1ccsc1[*:1] N#C[C@@H](c1ccccc1)N1CCN(CC1)CC(=O)NC[*:1]
Cc1ccsc1CNC(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 Cc1ccsc1C[*:1] N#C[C@@H](c1ccccc1)N1CCN(CC1)CC(=O)N[*:1]
Cc1ccsc1CNC(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccsc1CNC(=O)CN1CCN(CC1)[C@@H](C#N)[*:1]
Cc1ccc(C(=O)N2/C(=N/c3cccc(C(F)(F)F)c3)SCC2(C)C)o1 Cc1ccc(o1)[*:1] CC1(C)CS/C(=N\c2cccc(c2)C(F)(F)F)N1C(=O)[*:1]
Cc1ccc(C(=O)N2/C(=N/c3cccc(C(F)(F)F)c3)SCC2(C)C)o1 FC(F)(F)[*:1] Cc1ccc(o1)C(=O)N1/C(=N/c2cccc(c2)[*:1])SCC1(C)C
COC(=O)[C@@H]1CN(Cc2cccn2CCC(C)C)C[C@@H](C)O1 CC(C)CC[*:1] COC(=O)[C@@H]1CN(Cc2cccn2[*:1])C[C@@H](C)O1
COC(=O)[C@@H]1CN(Cc2cccn2CCC(C)C)C[C@@H](C)O1 CC(C)C[*:1] COC(=O)[C@@H]1CN(Cc2cccn2C[*:1])C[C@@H](C)O1
COC(=O)[C@@H]1CN(Cc2cccn2CCC(C)C)C[C@@H](C)O1 COC(=O)[*:1] CC(C)CCn1cccc1CN1C[C@H](O[C@H](C)C1)[*:1]
COC(=O)[C@@H]1CN(Cc2cccn2CCC(C)C)C[C@@H](C)O1 CC(C)[*:1] COC(=O)[C@@H]1CN(Cc2cccn2CC[*:1])C[C@@H](C)O1
COc1cc(-c2nc3n(n2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N3)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-c1nc2NC3CCCC(=O)C=3[C@H](n2n1)[*:1]
Cc1cc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)nn1C Cc1cc(nn1C)[*:1] O=C(N[*:1])c1ccc(COc2ccc3ccccc3c2)o1
COc1cc(C(N)=O)c(OC)c([N+](=O)[O-])c1 NC(=O)[*:1] COc1cc(c(OC)c(c1)[*:1])[N+](=O)[O-]
COc1cc(C(N)=O)c(OC)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cc(C(N)=O)c(OC)c(c1)[*:1]
CC[C@H](NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(Cl)c1 CC(C)[*:1] CC[C@H](NC(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1])c1cccc(Cl)c1
CC[C@H](NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H](NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[*:1]
C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(S(C)(=O)=O)o1 CS(=O)(=O)[*:1] C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(o1)[*:1]
COc1cc(-c2cccc(C(N)=O)c2)ccc1C(=O)[O-] NC(=O)[*:1] COc1cc(ccc1C(=O)[O-])-c1cccc(c1)[*:1]
COc1cc(-c2cccc(C(N)=O)c2)ccc1C(=O)[O-] O=C([O-])[*:1] COc1cc(ccc1[*:1])-c1cccc(c1)C(N)=O
S=C1N(C[NH+]2CCCC2)N[C@H](c2c[nH]c3ccccc23)N1C[C@@H]1CCCO1 c1ccc2c(c[nH]c2c1)[*:1] S=C1N(C[NH+]2CCCC2)N[C@H](N1C[C@@H]1CCCO1)[*:1]
S=C1N(C[NH+]2CCCC2)N[C@H](c2c[nH]c3ccccc23)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] S=C1N(C[NH+]2CCCC2)N[C@H](c2c[nH]c3ccccc23)N1C[*:1]
S=C1N(C[NH+]2CCCC2)N[C@H](c2c[nH]c3ccccc23)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] S=C1N(C[NH+]2CCCC2)N[C@H](c2c[nH]c3ccccc23)N1[*:1]
CCCCNC(=O)C(=O)Nc1ccc(F)cc1Br CCC[*:1] O=C(NC[*:1])C(=O)Nc1ccc(F)cc1Br
CCCCNC(=O)C(=O)Nc1ccc(F)cc1Br CCCC[*:1] O=C(Nc1ccc(F)cc1Br)C(=O)N[*:1]
CCOc1cc(NC(=O)c2cc(-c3ccccc3F)on2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])NC(=O)c1cc(on1)-c1ccccc1F
CCOc1cc(NC(=O)c2cc(-c3ccccc3F)on2)ccc1OC Fc1ccccc1[*:1] CCOc1cc(ccc1OC)NC(=O)c1cc(on1)[*:1]
C[C@@H]1CCCCN1C(=O)[C@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)S[*:1] C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[*:1]
C[C@@H]1CCCCN1C(=O)[C@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)[C@H](Sc1ccccc1)[*:1]
C[C@@H]1CCCCN1C(=O)[C@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)[C@H](S[*:1])c1ccccc1
C[C@H]1CN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)C[C@H](C)O1 C1CC1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccc2nc(oc2c1)[*:1]
COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1OC c1ccc2c(cccc2c1)[*:1] COc1ccc(cc1OC)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(C1)c1cccc2ccccc12
COC[C@H](NC(=O)Cc1coc2cc(C)c(C)cc12)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)Cc1coc2cc(C)c(C)cc12)[*:1]
COC[C@H](NC(=O)Cc1coc2cc(C)c(C)cc12)C(N)=O COC[C@H](C(N)=O)[*:1] Cc1cc2occ(CC(=O)N[*:1])c2cc1C
COC[C@H](NC(=O)Cc1coc2cc(C)c(C)cc12)C(N)=O COC[*:1] Cc1cc2occ(CC(=O)N[C@H](C(N)=O)[*:1])c2cc1C
O=C1CC[C@H](C(=O)Nc2cc(N3CCN(Cc4ccccc4)CC3)ncn2)N1 c1ccc(cc1)[*:1] O=C1CC[C@@H](N1)C(=O)Nc1cc(ncn1)N1CCN(CC1)C[*:1]
O=C1CC[C@H](C(=O)Nc2cc(N3CCN(Cc4ccccc4)CC3)ncn2)N1 c1ccc(cc1)C[*:1] O=C1CC[C@@H](N1)C(=O)Nc1cc(ncn1)N1CCN(CC1)[*:1]
CC(=O)N1CCC(CCNS(=O)(=O)N2CCC(C(C)(C)C)CC2)CC1 CC(C)(C)[*:1] CC(=O)N1CCC(CCNS(=O)(=O)N2CCC(CC2)[*:1])CC1
CN(Cc1nc2ccccc2n1CC(=O)N(C)c1ccccc1)C(=O)c1ccco1 c1ccc(cc1)[*:1] CN(Cc1nc2ccccc2n1CC(=O)N(C)[*:1])C(=O)c1ccco1
CN(Cc1nc2ccccc2n1CC(=O)N(C)c1ccccc1)C(=O)c1ccco1 CN(C(=O)[*:1])c1ccccc1 CN(Cc1nc2ccccc2n1C[*:1])C(=O)c1ccco1
CN(Cc1nc2ccccc2n1CC(=O)N(C)c1ccccc1)C(=O)c1ccco1 c1coc(c1)[*:1] CN(Cc1nc2ccccc2n1CC(=O)N(C)c1ccccc1)C(=O)[*:1]
CN(Cc1nc2ccccc2n1CC(=O)N(C)c1ccccc1)C(=O)c1ccco1 CN(C(=O)c1ccco1)[*:1] CN(C(=O)Cn1c(C[*:1])nc2ccccc21)c1ccccc1
CN(Cc1nc2ccccc2n1CC(=O)N(C)c1ccccc1)C(=O)c1ccco1 CN(C[*:1])C(=O)c1ccco1 CN(C(=O)Cn1c(nc2ccccc21)[*:1])c1ccccc1
CC[C@@](O)(C(=O)[O-])[C@@H]1CCOc2ccccc21 O=C([O-])[*:1] CC[C@@](O)([C@@H]1CCOc2ccccc21)[*:1]
COCCNC(=O)c1cc(C(F)(F)F)ccc1F COC[*:1] O=C(NC[*:1])c1cc(ccc1F)C(F)(F)F
COCCNC(=O)c1cc(C(F)(F)F)ccc1F COCC[*:1] O=C(N[*:1])c1cc(ccc1F)C(F)(F)F
COCCNC(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] COCCNC(=O)c1cc(ccc1F)[*:1]
CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)CC1 O=c1ccc(c[nH]1)[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1nc2c(Cl)cccc2s1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1nc2c(Cl)cccc2s1)c1ccccc1[N-]S(=O)(=O)[*:1]
O=C(Nc1nc2c(Cl)cccc2s1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 Clc1cccc2sc(nc12)[*:1] O=C(N[*:1])c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1
CCn1cc(C(=O)OCC(=O)NC[C@H]2CCCO2)c2ccccc21 C1CO[C@H](C1)[*:1] CCn1cc(C(=O)OCC(=O)NC[*:1])c2ccccc21
CCn1cc(C(=O)OCC(=O)NC[C@H]2CCCO2)c2ccccc21 C1CO[C@H](C1)C[*:1] CCn1cc(C(=O)OCC(=O)N[*:1])c2ccccc21
COc1ccc(NC(=O)[C@@H](Nc2ccc(C(N)=O)cc2)c2ccccc2)cc1Cl COc1ccc(cc1Cl)[*:1] NC(=O)c1ccc(cc1)N[C@H](C(=O)N[*:1])c1ccccc1
COc1ccc(NC(=O)[C@@H](Nc2ccc(C(N)=O)cc2)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@@H](Nc1ccc(cc1)C(N)=O)[*:1]
COc1ccc(NC(=O)[C@@H](Nc2ccc(C(N)=O)cc2)c2ccccc2)cc1Cl NC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@@H](N[*:1])c1ccccc1
COc1ccc(NC(=O)[C@@H](Nc2ccc(C(N)=O)cc2)c2ccccc2)cc1Cl NC(=O)[*:1] COc1ccc(cc1Cl)NC(=O)[C@@H](Nc1ccc(cc1)[*:1])c1ccccc1
CC(C)C[NH+](C)CCOc1ccccc1N CC(C)[*:1] C[NH+](CCOc1ccccc1N)C[*:1]
CC(C)C[NH+](C)CCOc1ccccc1N CC(C)C[*:1] C[NH+](CCOc1ccccc1N)[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 CC[C@H](C)NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(Cl)cc(Cl)c1
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 CC[C@H](C)[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1cc(Cl)cc(Cl)c1
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 Clc1cc(Cl)cc(c1)[*:1] CC[C@H](C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SC)nn21 CCOc1ccccc1[*:1] CSc1nc2NC3CC(C)(C)CC(=O)C=3[C@H](n2n1)[*:1]
CCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SC)nn21 CCO[*:1] CSc1nc2NC3CC(C)(C)CC(=O)C=3[C@@H](c3ccccc3[*:1])n2n1
C[C@H](O/N=C/c1ccccc1F)c1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] C[C@H](O/N=C/c1ccccc1F)c1nc(no1)[*:1]
C[C@H](O/N=C/c1ccccc1F)c1nc(-c2ccc(Cl)cc2)no1 Fc1ccccc1[*:1] C[C@H](ON=C[*:1])c1nc(no1)-c1ccc(Cl)cc1
O=C(NC1(C(=O)[O-])Cc2ccccc2C1)OCC1c2ccccc2-c2ccccc21 O=C([O-])[*:1] O=C(NC1(Cc2ccccc2C1)[*:1])OCC1c2ccccc2-c2ccccc21
COc1ccc(CNc2nccn(-c3cc(C)cc(C)c3)c2=O)cc1OC Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1OC)CNc1nccn(c1=O)[*:1]
Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(I)o1 Ic1ccc(o1)[*:1] Cc1cc2C(=C[*:1])OC(=O)c2c(=O)[nH]1
N#CC1=C(c2ccccc2)[C@@H](c2ccccc2)OC1=O c1ccc(cc1)[*:1] N#CC1C(=O)O[C@H](C=1c1ccccc1)[*:1]
N#CC1=C(c2ccccc2)[C@@H](c2ccccc2)OC1=O c1ccc(cc1)[*:1] N#CC1C(=O)O[C@@H](C=1[*:1])c1ccccc1
CC(C)[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(cc1)[*:1]
CC(C)[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 CC(C)[*:1] O=S1(=O)CCC[C@@H](C1)[NH2+][C@@H](c1ccc(cc1)C(F)(F)F)[*:1]
O=C(c1cnc(Oc2ccccc2)cn1)N1CCc2c1cccc2[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(c1cnc(cn1)Oc1ccccc1)N1CCc2c1cccc2[*:1]
O=C(c1cnc(Oc2ccccc2)cn1)N1CCc2c1cccc2[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(c1cnc(cn1)O[*:1])N1CCc2c1cccc2[N+](=O)[O-]
O=C(c1cnc(Oc2ccccc2)cn1)N1CCc2c1cccc2[N+](=O)[O-] c1ccc(cc1)O[*:1] O=C(c1cnc(cn1)[*:1])N1CCc2c1cccc2[N+](=O)[O-]
CCC[C@H]([NH3+])C(=O)Nc1ccc(F)cc1I CCC[*:1] [NH3+][C@H](C(=O)Nc1ccc(F)cc1I)[*:1]
N#CCCCC[NH+]1CC2(CCOCC2)C1 N#CCCC[*:1] C1CC2(CCO1)C[NH+](C2)C[*:1]
N#CCCCC[NH+]1CC2(CCOCC2)C1 N#CCC[*:1] C1CC2(CCO1)C[NH+](CC[*:1])C2
N#CCCCC[NH+]1CC2(CCOCC2)C1 N#CC[*:1] C(C[NH+]1CC2(CCOCC2)C1)C[*:1]
Cc1ccc(C(=O)N2CCN(c3ncnc4sccc34)CC2)c(C)n1 Cc1ccc(c(C)n1)[*:1] O=C(N1CCN(CC1)c1ncnc2sccc12)[*:1]
CCCC(=O)Nc1ccc(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 CCC[*:1] Cc1sc2ncn(CC(=O)c3ccc(cc3)NC(=O)[*:1])c(=O)c2c1C
CCCC(=O)Nc1ccc(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 CCCC(=O)N[*:1] Cc1sc2ncn(CC(=O)c3ccc(cc3)[*:1])c(=O)c2c1C
N#C[C@H]1CN(Cc2ccc(-c3ccc(Br)cc3)s2)CCO1 Brc1ccc(cc1)[*:1] N#C[C@H]1CN(CCO1)Cc1ccc(s1)[*:1]
COCCNc1nc(-c2ccccc2F)c2c(N)n(-c3ccc(F)cc3)nc2n1 COCCN[*:1] Nc1c2c(nc(nc2nn1-c1ccc(F)cc1)[*:1])-c1ccccc1F
COCCNc1nc(-c2ccccc2F)c2c(N)n(-c3ccc(F)cc3)nc2n1 COC[*:1] Nc1c2c(nc(nc2nn1-c1ccc(F)cc1)NC[*:1])-c1ccccc1F
COCCNc1nc(-c2ccccc2F)c2c(N)n(-c3ccc(F)cc3)nc2n1 Fc1ccccc1[*:1] COCCNc1nc(c2c(N)n(nc2n1)-c1ccc(F)cc1)[*:1]
COCCNc1nc(-c2ccccc2F)c2c(N)n(-c3ccc(F)cc3)nc2n1 COCC[*:1] Nc1c2c(nc(nc2nn1-c1ccc(F)cc1)N[*:1])-c1ccccc1F
COCCNc1nc(-c2ccccc2F)c2c(N)n(-c3ccc(F)cc3)nc2n1 Fc1ccc(cc1)[*:1] COCCNc1nc(-c2ccccc2F)c2c(N)n(nc2n1)[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3oc(C)nc3C)C2)cc1 Cc1nc(C)c(o1)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](C)N(C1)C(=O)[*:1]
CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2ccc3ncccc3c2)CCO1 c1cnc2ccc(cc2c1)[*:1] CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(CCO1)C[*:1]
CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2ccc3ncccc3c2)CCO1 CC(C)NC(=O)[*:1] c1cnc2ccc(cc2c1)CN1CCO[C@H](C1)c1c(sc2ncccc12)[*:1]
CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2ccc3ncccc3c2)CCO1 CC(C)[*:1] O=C(N[*:1])c1sc2ncccc2c1[C@H]1CN(CCO1)Cc1ccc2ncccc2c1
Cc1nc(SCc2nnsc2Cl)sc1CC(N)=O NC(=O)[*:1] Cc1nc(SCc2nnsc2Cl)sc1C[*:1]
Cc1nc(SCc2nnsc2Cl)sc1CC(N)=O NC(=O)C[*:1] Cc1nc(SCc2nnsc2Cl)sc1[*:1]
Cc1nc(SCc2nnsc2Cl)sc1CC(N)=O Clc1snnc1[*:1] Cc1nc(SC[*:1])sc1CC(N)=O
CSC[C@@H](C)C(=O)Nc1ccnc(-c2ccccc2)n1 CSC[*:1] C[C@@H](C(=O)Nc1ccnc(n1)-c1ccccc1)[*:1]
CSC[C@@H](C)C(=O)Nc1ccnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CSC[C@@H](C)C(=O)Nc1ccnc(n1)[*:1]
C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(N(C)C)cc1 Fc1cccc(c1)[*:1] C=CCn1c(nnc1-c1ccc(cc1)N(C)C)SC[*:1]
C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(N(C)C)cc1 CN(C)[*:1] C=CCn1c(nnc1-c1ccc(cc1)[*:1])SCc1cccc(F)c1
C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(N(C)C)cc1 C=CC[*:1] CN(C)c1ccc(cc1)-c1nnc(SCc2cccc(F)c2)n1[*:1]
C=CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(N(C)C)cc1 Fc1cccc(c1)C[*:1] C=CCn1c(nnc1-c1ccc(cc1)N(C)C)S[*:1]
Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCC(C)(C)c2ccncc2)c1 c1cc(ccn1)[*:1] Cc1ccc(c(c1)NC(=O)C(=O)NCC(C)(C)[*:1])-n1cc(C)cn1
Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCC(C)(C)c2ccncc2)c1 CC(C)(c1ccncc1)[*:1] Cc1ccc(c(c1)NC(=O)C(=O)NC[*:1])-n1cc(C)cn1
Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCC(C)(C)c2ccncc2)c1 Cc1cnn(c1)[*:1] Cc1ccc(c(c1)NC(=O)C(=O)NCC(C)(C)c1ccncc1)[*:1]
Cc1cccc([C@@H]2CCCN2S(=O)(=O)N2CCC(C(C)(C)C)CC2)n1 Cc1cccc(n1)[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N1CCC[C@H]1[*:1]
Cc1cccc([C@@H]2CCCN2S(=O)(=O)N2CCC(C(C)(C)C)CC2)n1 CC(C)(C)[*:1] Cc1cccc(n1)[C@@H]1CCCN1S(=O)(=O)N1CCC(CC1)[*:1]
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 CC[C@H](C#N)[*:1] O=C(NCc1cccc(c1)O[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 CC[C@H](C#N)O[*:1] O=C(NCc1cccc(c1)[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1cccc(c1)[N+](=O)[O-])[*:1]
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(CSc1nnc(o1)-c1cccc(c1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(CSc1nnc(o1)-c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
Cc1c(C(=O)Nc2ccccc2NS(C)(=O)=O)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccccc1NS(C)(=O)=O
Cc1c(C(=O)Nc2ccccc2NS(C)(=O)=O)cnn1-c1ccc(F)cc1 CS(=O)(=O)N[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)Nc1ccccc1[*:1]
O=C([C@@H]1CCCN1C(=O)/C=C/c1ccnc(Cl)c1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(/C=C/c1ccnc(Cl)c1)N1CCC[C@H]1[*:1]
O=C([C@@H]1CCCN1C(=O)/C=C/c1ccnc(Cl)c1)N1CCOCC1 Clc1cc(ccn1)[*:1] O=C([C@@H]1CCCN1C(=O)C=C[*:1])N1CCOCC1
C[C@@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(Cc2ccccc2)CC1 NC(=O)c1ccccc1[*:1] C[C@@H](O[*:1])C(=O)N1CCC(CC1)Cc1ccccc1
C[C@@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(Cc2ccccc2)CC1 NC(=O)[*:1] C[C@@H](Oc1ccccc1[*:1])C(=O)N1CCC(CC1)Cc1ccccc1
C[C@@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(CC1)[*:1]
C[C@@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(CC1)C[*:1]
Cc1ccc(C[NH2+][C@H](c2cccnc2)C(C)C)c(N(C)C)c1 CC(C)[*:1] Cc1ccc(C[NH2+][C@H](c2cccnc2)[*:1])c(c1)N(C)C
Cc1ccc(C[NH2+][C@H](c2cccnc2)C(C)C)c(N(C)C)c1 c1cncc(c1)[*:1] Cc1ccc(C[NH2+][C@H](C(C)C)[*:1])c(c1)N(C)C
Cc1ccc(C[NH2+][C@H](c2cccnc2)C(C)C)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(C[NH2+][C@H](c2cccnc2)C(C)C)c(c1)[*:1]
Cc1ccc(-c2nnc(SCCCc3cnn(C)c3)o2)cc1C Cn1cc(cn1)[*:1] Cc1ccc(cc1C)-c1nnc(o1)SCCC[*:1]
Cc1ccc(-c2nnc(SCCCc3cnn(C)c3)o2)cc1C Cn1cc(cn1)C[*:1] Cc1ccc(cc1C)-c1nnc(o1)SCC[*:1]
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])o1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CCCN(C1=O)[*:1])c1ccc(o1)[N+](=O)[O-]
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(o1)[*:1]
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] O=C1[C@H](CCCN1Cc1ccccc1)NC(=O)[*:1]
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])o1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCCN(C[*:1])C1=O)c1ccc(o1)[N+](=O)[O-]
CC(C)CC(C)(C)CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 CC(C)CC(C)(C)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)NC[*:1]
CC(C)CC(C)(C)CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 CC(C)C[*:1] CC(C)(CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)[*:1]
CC(C)CC(C)(C)CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 CC(C)[*:1] CC(C)(CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C[*:1]
COc1cccc(C[C@@H](C)NC(=O)c2cc(C)oc2C)c1 Cc1cc(c(C)o1)[*:1] COc1cccc(c1)C[C@@H](C)NC(=O)[*:1]
Cn1nc(C(=O)Nc2ccccc2N2CCc3sccc3C2)c2ccccc2c1=O c1cc2CN(CCc2s1)[*:1] Cn1nc(C(=O)Nc2ccccc2[*:1])c2ccccc2c1=O
Cc1[nH]c(CN2CCc3onc(-c4ccc(C(F)(F)F)cc4)c3C2)c[nH+]1 FC(F)(F)[*:1] Cc1[nH]c(c[nH+]1)CN1CCc2onc(-c3ccc(cc3)[*:1])c2C1
C[C@@H]1CCC[C@@H](NC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1 NC(=O)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)Oc1ccnc(c1)[*:1]
CC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CN(S(C)(=O)=O)CC3)cc1 CC(=O)N[*:1] CS(=O)(=O)N1CCc2nc(NC(=O)c3ccc(cc3)[*:1])sc2C1
CCCC(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)OCC)C2)c1 CCC[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)c1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)OCC)C2)c1 CCOC(=O)[*:1] CCCC(=O)Nc1cccc(c1)C(=O)N1CCC[C@H](C1)[*:1]
CCCC(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)OCC)C2)c1 CCCC(=O)N[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2O)c1 NS(=O)(=O)[*:1] O=C(Nc1cc(Cl)ccc1O)c1cc(ccc1Cl)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1/C=C(\C#N)C(=O)NCCc1ccccc1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)NCC[*:1]
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1/C=C(\C#N)C(=O)NCCc1ccccc1
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)N[*:1]
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)NC[*:1]
Cc1sc2[nH]c(-c3ccccc3)nc(=S)c2c1C c1ccc(cc1)[*:1] Cc1sc2[nH]c(nc(=S)c2c1C)[*:1]
C[C@H](NC(=O)[C@@H](C)S(=O)(=O)CCO)c1ccc(F)cc1 O=S(=O)(CCO)[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])c1ccc(F)cc1
C[C@H](NC(=O)[C@@H](C)S(=O)(=O)CCO)c1ccc(F)cc1 OCC[*:1] C[C@H](NC(=O)[C@@H](C)S(=O)(=O)[*:1])c1ccc(F)cc1
CC[C@@H](CC(=O)Nc1cc(C(N)=O)c(F)cc1F)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](CC(=O)Nc1cc(C(N)=O)c(F)cc1F)[*:1]
CC[C@@H](CC(=O)Nc1cc(C(N)=O)c(F)cc1F)c1ccc(C)cc1 NC(=O)[*:1] CC[C@@H](CC(=O)Nc1cc(c(F)cc1F)[*:1])c1ccc(C)cc1
[NH3+]Cc1ccc(C(=O)N[C@@H](CO)c2ccccc2)o1 c1ccc(cc1)[*:1] [NH3+]Cc1ccc(o1)C(=O)N[C@@H](CO)[*:1]
Cn1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 Cn1ccc(n1)[*:1] O=C(N[*:1])[C@H]1CN(CCO1)Cc1ccccc1
Cn1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 c1ccc(cc1)C[*:1] Cn1ccc(n1)NC(=O)[C@H]1CN(CCO1)[*:1]
Cn1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 c1ccc(cc1)[*:1] Cn1ccc(n1)NC(=O)[C@H]1CN(CCO1)C[*:1]
CCCNC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 CCC[*:1] CS(=O)(=O)N1CCC(CC1)CNC(=O)C(=O)N[*:1]
CCOC(=O)[C@@H](CC)Sc1nncn1-c1ccc(C)cc1C CCOC(=O)[*:1] CC[C@@H](Sc1nncn1-c1ccc(C)cc1C)[*:1]
C[NH2+]C[C@@H](CCCS(C)(=O)=O)c1ccc(F)cc1 CS(=O)(=O)[*:1] C[NH2+]C[C@@H](CCC[*:1])c1ccc(F)cc1
C[NH2+]C[C@@H](CCCS(C)(=O)=O)c1ccc(F)cc1 CS(=O)(=O)C[*:1] C[NH2+]C[C@@H](CC[*:1])c1ccc(F)cc1
C[NH2+]C[C@@H](CCCS(C)(=O)=O)c1ccc(F)cc1 CS(=O)(=O)CC[*:1] C[NH2+]C[C@@H](C[*:1])c1ccc(F)cc1
CCOc1ccc(NC(=O)[C@@H](C)OC)cc1Cl CCO[*:1] CO[C@H](C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCOc1ccc(NC(=O)[C@@H](C)OC)cc1Cl CO[C@H](C)[*:1] CCOc1ccc(cc1Cl)NC(=O)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1ccccn1 CC[C@@H](C)[*:1] C[C@H](NC(=O)NCCC(=O)N[*:1])c1ccccn1
CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1ccccn1 CC[C@@H](C)NC(=O)[*:1] C[C@H](NC(=O)NCC[*:1])c1ccccn1
CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)[*:1]
COC(=O)c1cn([C@H]2CO[C@@H]3[C@@H](NC(=S)NC4CCCCC4)CO[C@H]23)nn1 C1CCC(CC1)[*:1] COC(=O)c1cn(nn1)[C@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=S)N[*:1]
COC(=O)c1cn([C@H]2CO[C@@H]3[C@@H](NC(=S)NC4CCCCC4)CO[C@H]23)nn1 COC(=O)c1cn(nn1)[*:1] S=C(NC1CCCCC1)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)[*:1]
COC(=O)c1cn([C@H]2CO[C@@H]3[C@@H](NC(=S)NC4CCCCC4)CO[C@H]23)nn1 COC(=O)[*:1] S=C(NC1CCCCC1)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)n1cc(nn1)[*:1]
Cc1ccn2c(=O)cc(CN(Cc3ccccc3)Cc3ccc(F)cc3)[nH+]c2c1 c1ccc(cc1)C[*:1] Cc1ccn2c(=O)cc(CN(Cc3ccc(F)cc3)[*:1])[nH+]c2c1
Cc1ccn2c(=O)cc(CN(Cc3ccccc3)Cc3ccc(F)cc3)[nH+]c2c1 Fc1ccc(cc1)C[*:1] Cc1ccn2c(=O)cc(CN(Cc3ccccc3)[*:1])[nH+]c2c1
Cc1ccn2c(=O)cc(CN(Cc3ccccc3)Cc3ccc(F)cc3)[nH+]c2c1 c1ccc(cc1)[*:1] Cc1ccn2c(=O)cc(CN(Cc3ccc(F)cc3)C[*:1])[nH+]c2c1
Cc1ccn2c(=O)cc(CN(Cc3ccccc3)Cc3ccc(F)cc3)[nH+]c2c1 Fc1ccc(cc1)[*:1] Cc1ccn2c(=O)cc(CN(Cc3ccccc3)C[*:1])[nH+]c2c1
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1 FC(F)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1ccc(cc1)OC(F)F
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1 FC(F)O[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1 FC(F)Oc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
CN(C(=O)c1ccccc1-n1cnnn1)[C@H]1CCc2ccccc2C1 c1nnnn1[*:1] CN(C(=O)c1ccccc1[*:1])[C@H]1CCc2ccccc2C1
Cc1ccccc1[C@H](C#N)NC(=O)CNc1ccc(C#N)cc1 Cc1ccccc1[*:1] N#Cc1ccc(cc1)NCC(=O)N[C@@H](C#N)[*:1]
Cc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cscn2)C1 c1nc(cs1)[*:1] Cc1c[nH]nc1[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cscn2)C1 Cc1c[nH]nc1[*:1] O=C(c1cscn1)N1CCC[C@H](C1)[*:1]
O=C(NCCCCn1ccccc1=O)C(=O)Nc1cccc2ccccc12 O=c1ccccn1C[*:1] O=C(NCCC[*:1])C(=O)Nc1cccc2ccccc12
O=C(NCCCCn1ccccc1=O)C(=O)Nc1cccc2ccccc12 O=c1ccccn1CC[*:1] O=C(NCC[*:1])C(=O)Nc1cccc2ccccc12
O=C(NCCCCn1ccccc1=O)C(=O)Nc1cccc2ccccc12 O=c1ccccn1[*:1] O=C(NCCCC[*:1])C(=O)Nc1cccc2ccccc12
CO[C@H](C)C(=O)N(CCC(N)=O)Cc1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C)C(=O)N(CCC(N)=O)C[*:1]
CO[C@H](C)C(=O)N(CCC(N)=O)Cc1ccccc1 NC(=O)CC[*:1] CO[C@H](C)C(=O)N(Cc1ccccc1)[*:1]
CO[C@H](C)C(=O)N(CCC(N)=O)Cc1ccccc1 NC(=O)[*:1] CO[C@H](C)C(=O)N(CC[*:1])Cc1ccccc1
CO[C@H](C)C(=O)N(CCC(N)=O)Cc1ccccc1 NC(=O)C[*:1] CO[C@H](C)C(=O)N(Cc1ccccc1)C[*:1]
CO[C@H](C)C(=O)N(CCC(N)=O)Cc1ccccc1 CO[C@H](C)[*:1] NC(=O)CCN(Cc1ccccc1)C(=O)[*:1]
CC(C)CNC(=O)CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 Fc1ccc(cc1)C[*:1] CC(C)CNC(=O)CNC(=O)C1CCC(=O)N(N=1)[*:1]
CC(C)CNC(=O)CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 CC(C)[*:1] O=C(CNC(=O)C1CCC(=O)N(Cc2ccc(F)cc2)N=1)NC[*:1]
CC(C)CNC(=O)CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 CC(C)CNC(=O)[*:1] O=C(NC[*:1])C1CCC(=O)N(Cc2ccc(F)cc2)N=1
CC(C)CNC(=O)CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 Fc1ccc(cc1)[*:1] CC(C)CNC(=O)CNC(=O)C1CCC(=O)N(C[*:1])N=1
CC(C)CNC(=O)CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 CC(C)C[*:1] O=C(CNC(=O)C1CCC(=O)N(Cc2ccc(F)cc2)N=1)N[*:1]
CC(C)CNC(=O)CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 CC(C)CNC(=O)C[*:1] O=C(N[*:1])C1CCC(=O)N(Cc2ccc(F)cc2)N=1
C[NH2+]C[C@H](C)C(=O)NC[C@](C)(O)C(=O)[O-] O=C([O-])[*:1] C[NH2+]C[C@H](C)C(=O)NC[C@](C)(O)[*:1]
COc1ccc(OC)c(S(=O)(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 Cc1ccccc1C[*:1] COc1ccc(OC)c(c1)S(=O)(=O)NC1CC[NH+](CC1)[*:1]
COc1ccc(OC)c(S(=O)(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 Cc1ccccc1[*:1] COc1ccc(OC)c(c1)S(=O)(=O)NC1CC[NH+](CC1)C[*:1]
COc1ccccc1Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] COc1ccccc1Nc1nnc(SCc2cccc(c2)[*:1])s1
COc1ccccc1Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 COc1ccccc1[*:1] O=[N+]([O-])c1cccc(c1)CSc1nnc(N[*:1])s1
Cc1ccc(NC(=O)CSCc2ncoc2C(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(NC(=O)CSCc2ncoc2[*:1])c(C)c1
O=C1CC2(CC[NH+](Cc3cccn3S(=O)(=O)c3ccccc3)CC2)CN1 c1ccc(cc1)[*:1] O=C1CC2(CC[NH+](CC2)Cc2cccn2S(=O)(=O)[*:1])CN1
Cc1c(C(=O)Nc2ccccc2C#N)nnn1-c1ccc(C(C)C)cc1 N#Cc1ccccc1[*:1] Cc1c(nnn1-c1ccc(cc1)C(C)C)C(=O)N[*:1]
Cc1c(C(=O)Nc2ccccc2C#N)nnn1-c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1c(nnn1-c1ccc(cc1)[*:1])C(=O)Nc1ccccc1C#N
Cc1nc(COc2ccccc2C(=O)NCc2ccc(C(F)(F)F)cc2)no1 Cc1nc(C[*:1])no1 O=C(NCc1ccc(cc1)C(F)(F)F)c1ccccc1O[*:1]
Cc1nc(COc2ccccc2C(=O)NCc2ccc(C(F)(F)F)cc2)no1 FC(F)(F)[*:1] Cc1nc(COc2ccccc2C(=O)NCc2ccc(cc2)[*:1])no1
Cc1nc(COc2ccccc2C(=O)NCc2ccc(C(F)(F)F)cc2)no1 Cc1nc(CO[*:1])no1 O=C(NCc1ccc(cc1)C(F)(F)F)c1ccccc1[*:1]
Cc1nc(COc2ccccc2C(=O)NCc2ccc(C(F)(F)F)cc2)no1 Cc1nc(no1)[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)c1ccccc1OC[*:1]
O=C(Nc1nc2c(F)cccc2s1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nc2c(F)cccc2s1)c1ccccc1[N-]S(=O)(=O)[*:1]
COCC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(C#N)c3)CC2)nc1 N#Cc1cccc(c1)[*:1] COCC(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)[*:1]
COCC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(C#N)c3)CC2)nc1 COC[*:1] N#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(cn1)NC(=O)[*:1]
COCC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(C#N)c3)CC2)nc1 COCC(=O)N[*:1] N#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(cn1)[*:1]
CC[C@H](C)C[NH2+]CCNC(=O)C(C)(C)C CC(C)(C)[*:1] CC[C@H](C)C[NH2+]CCNC(=O)[*:1]
CC[C@H](C)C[NH2+]CCNC(=O)C(C)(C)C CC[C@H](C)[*:1] CC(C)(C)C(=O)NCC[NH2+]C[*:1]
CC[C@H](C)C[NH2+]CCNC(=O)C(C)(C)C CC[C@H](C)C[*:1] CC(C)(C)C(=O)NCC[NH2+][*:1]
CC(=O)Nc1cc(NC(=O)N[C@H]2CCc3ccccc32)c(F)cc1F CC(=O)N[*:1] O=C(Nc1cc(c(F)cc1F)[*:1])N[C@H]1CCc2ccccc21
CC(C)C[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1C(F)(F)F CC(C)[*:1] FC(F)(F)c1ccccc1[C@H]1CC[NH2+]C[C@H]1C[*:1]
CC(C)C[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CC(C)C[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1[*:1]
CC(C)C[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1C(F)(F)F CC(C)C[*:1] FC(F)(F)c1ccccc1[C@H]1CC[NH2+]C[C@H]1[*:1]
CCCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(CC)s3)cc21 CCC[*:1] CCc1ccc(s1)S(=O)(=O)Nc1ccc2OCC(C)(C)C(=O)N(c2c1)[*:1]
CCCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(CC)s3)cc21 CCc1ccc(s1)[*:1] CCCN1C(=O)C(C)(C)COc2ccc(cc21)NS(=O)(=O)[*:1]
CC[C@H](C)[C@@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@@H](NC(=O)c1ccc2[nH]ccc2c1)[*:1]
CC[C@H](C)[C@@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)[O-] CC[C@H](C)[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])c1ccc2[nH]ccc2c1
CCNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1cccc(Cl)c1 CCNC(=O)[*:1] O=C(Nc1cccc(c1)[C@H]1OC(=O)N(Cc2cccc(Cl)c2)[C@H]1[*:1])c1ccc(F)cc1
CCNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1cccc(Cl)c1 Fc1ccc(cc1)[*:1] CCNC(=O)[C@H]1[C@H](OC(=O)N1Cc1cccc(Cl)c1)c1cccc(c1)NC(=O)[*:1]
CCNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCNC(=O)[C@H]1[C@H](OC(=O)N1C[*:1])c1cccc(c1)NC(=O)c1ccc(F)cc1
CCNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] CCNC(=O)[C@H]1[C@H](OC(=O)N1[*:1])c1cccc(c1)NC(=O)c1ccc(F)cc1
CCNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)c3ccc(F)cc3)c2)OC(=O)N1Cc1cccc(Cl)c1 O=C(N[*:1])c1ccc(F)cc1 CCNC(=O)[C@H]1[C@H](OC(=O)N1Cc1cccc(Cl)c1)c1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1CCC(COCc2ccc(Br)nc2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)COCc1ccc(Br)nc1
CC(C)(C)OC(=O)N1CCC(COCc2ccc(Br)nc2)CC1 Brc1ccc(cn1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)COC[*:1]
N#Cc1cc(C(F)(F)F)c2cc(F)ccc2n1 FC(F)(F)[*:1] N#Cc1cc(c2cc(F)ccc2n1)[*:1]
CCOc1cccc(C=O)c1OCc1cc(=O)n2ccccc2n1 CCO[*:1] O=Cc1cccc(c1OCc1cc(=O)n2ccccc2n1)[*:1]
CC(C)NC(=O)C(=O)NCCOc1ccc2ccccc2c1 CC(C)[*:1] O=C(NCCOc1ccc2ccccc2c1)C(=O)N[*:1]
Cc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)[NH+]2CCCC2)o1 Cc1ccc(o1)[*:1] CC(C)(C(=O)NC[C@@H]([NH+]1CCCC1)[*:1])c1ccc2OCCOc2c1
CS(=O)(=O)c1ccc(OCCCn2cc(Br)cn2)cc1 Brc1cnn(c1)[*:1] CS(=O)(=O)c1ccc(cc1)OCCC[*:1]
CS(=O)(=O)c1ccc(OCCCn2cc(Br)cn2)cc1 CS(=O)(=O)[*:1] Brc1cnn(c1)CCCOc1ccc(cc1)[*:1]
CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N1Cc1nc(C)cs1 Cc1csc(n1)[*:1] CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N1C[*:1]
CCC[C@H]1C(=O)N[C@@H](CC)C(=O)N1Cc1nc(C)cs1 CCC[*:1] CC[C@@H]1NC(=O)[C@@H](N(Cc2nc(C)cs2)C1=O)[*:1]
Cc1ccccc1NC(=O)CC[S@](=O)c1ncccc1Cl Clc1cccnc1[*:1] Cc1ccccc1NC(=O)CC[S@](=O)[*:1]
Cc1ccccc1NC(=O)CC[S@](=O)c1ncccc1Cl Cc1ccccc1[*:1] O=C(CC[S@](=O)c1ncccc1Cl)N[*:1]
Cc1cccc(OC(C)(C)C(=O)N[C@@H]2C[C@H]3C(=O)NCC(=O)N3C2)c1C Cc1cccc(c1C)[*:1] CC(C)(O[*:1])C(=O)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1
C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+]CCC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+]CC[*:1]
C[C@H]1CCC[C@H](/C([O-])=N/S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1CCC[C@@H](C1)/C([O-])=N/S(=O)(=O)c1ccccc1[*:1]
CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccccn1 c1ccc(nc1)[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[*:1]
CCCOc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 CCC[*:1] O=C(COc1ccc(cc1)O[*:1])Nc1cccc(Cl)c1
CCCOc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CCCOc1ccc(cc1)OCC(=O)N[*:1]
CCCOc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 CCCO[*:1] O=C(COc1ccc(cc1)[*:1])Nc1cccc(Cl)c1
CC(C)[C@@H](C(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 CC(C)[*:1] CN1C[C@@H](CCC1=O)NC(=O)[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](C(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)N[C@@H]1CCC(=O)N(C)C1)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H](C3CC3)C2)C1 C1CC1[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H](C3CC3)C2)C1 CCCNC(=O)[*:1] O=C(N[C@H]1CCC[C@@H](C1)C1CC1)N1CCC[C@H](C1)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H](C3CC3)C2)C1 CCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)N[C@H]1CCC[C@@H](C1)C1CC1
O=C1CC[C@H](C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)N1 O=C1CC[C@H](N1)[*:1] O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)[*:1]
CCNc1cc(S(=O)(=O)N(C)CCS(C)(=O)=O)ccn1 CS(=O)(=O)C[*:1] CCNc1cc(ccn1)S(=O)(=O)N(C)C[*:1]
CCNc1cc(S(=O)(=O)N(C)CCS(C)(=O)=O)ccn1 CS(=O)(=O)[*:1] CCNc1cc(ccn1)S(=O)(=O)N(C)CC[*:1]
CCNc1cc(S(=O)(=O)N(C)CCS(C)(=O)=O)ccn1 CS(=O)(=O)CC[*:1] CCNc1cc(ccn1)S(=O)(=O)N(C)[*:1]
CCNc1cc(S(=O)(=O)N(C)CCS(C)(=O)=O)ccn1 CCN[*:1] CN(CCS(C)(=O)=O)S(=O)(=O)c1ccnc(c1)[*:1]
O=C(NCc1csc(C2CC2)n1)c1cc(-c2ccc(Cl)cc2)on1 Clc1ccc(cc1)[*:1] O=C(NCc1csc(n1)C1CC1)c1cc(on1)[*:1]
O=C(NCc1csc(C2CC2)n1)c1cc(-c2ccc(Cl)cc2)on1 c1sc(nc1[*:1])C1CC1 O=C(NC[*:1])c1cc(on1)-c1ccc(Cl)cc1
O=C(NCc1csc(C2CC2)n1)c1cc(-c2ccc(Cl)cc2)on1 C1CC1[*:1] O=C(NCc1csc(n1)[*:1])c1cc(on1)-c1ccc(Cl)cc1
C[C@@H](Cl)C(=O)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1 C[C@@H](Cl)C(=O)N[*:1] O=c1cc(oc2ccc(cc12)[*:1])-c1ccccc1F
C[C@@H](Cl)C(=O)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1 Fc1ccccc1[*:1] C[C@@H](Cl)C(=O)Nc1ccc2oc(cc(=O)c2c1)[*:1]
O=C(Cc1csc2nc(-c3ccccc3)cn12)N1CCOC[C@@H]1C1CC1 c1ccc(cc1)[*:1] O=C(Cc1csc2nc(cn12)[*:1])N1CCOC[C@@H]1C1CC1
O=C(Cc1csc2nc(-c3ccccc3)cn12)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(Cc1csc2nc(cn12)-c1ccccc1)N1CCOC[C@H]1[*:1]
Cc1ccncc1NC(=O)NCCCO[C@H](C)c1ccccc1 Cc1ccncc1[*:1] C[C@@H](OCCCNC(=O)N[*:1])c1ccccc1
Cc1ccncc1NC(=O)NCCCO[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccncc1NC(=O)NCCCO[C@H](C)[*:1]
O=C1C[C@@H](c2ccnn2-c2ccccc2)c2ccc(N3CCCC3=O)cc2N1 c1ccc(cc1)[*:1] O=C1C[C@H](c2ccc(cc2N1)N1CCCC1=O)c1ccnn1[*:1]
O=C1C[C@@H](c2ccnn2-c2ccccc2)c2ccc(N3CCCC3=O)cc2N1 O=C1CCCN1[*:1] O=C1C[C@H](c2ccc(cc2N1)[*:1])c1ccnn1-c1ccccc1
CCOc1c(Br)cc(C(=O)Nc2nnc(C)s2)cc1OC Cc1nnc(s1)[*:1] CCOc1c(Br)cc(cc1OC)C(=O)N[*:1]
CCOc1c(Br)cc(C(=O)Nc2nnc(C)s2)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])C(=O)Nc1nnc(C)s1
CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCO[C@@H]1C)c1nc2ccccc2[nH]1 CC[C@@H](C)[*:1] C[C@H]1OCC[C@H]1C(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
CSCc1ccc(N2CCN(Cc3cccc(F)c3)CC2)[nH+]c1 CSC[*:1] Fc1cccc(c1)CN1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CSCc1ccc(N2CCN(Cc3cccc(F)c3)CC2)[nH+]c1 Fc1cccc(c1)[*:1] CSCc1ccc([nH+]c1)N1CCN(CC1)C[*:1]
COc1cccc(CN(C)C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)c1 COc1cccc(c1)[*:1] CN(C[*:1])C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
O=C(c1ccccn1)N1CCCCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(c1ccccn1)N1CCCCC[C@H]1[*:1]
O=C(c1ccccn1)N1CCCCC[C@@H]1c1ccncc1 c1ccc(nc1)[*:1] O=C(N1CCCCC[C@@H]1c1ccncc1)[*:1]
COc1ccc(C[C@@](C)([NH3+])Cc2nc(C)cs2)cc1OC Cc1csc(C[*:1])n1 COc1ccc(cc1OC)C[C@@](C)([NH3+])[*:1]
COc1ccc(C[C@@](C)([NH3+])Cc2nc(C)cs2)cc1OC Cc1csc(n1)[*:1] COc1ccc(cc1OC)C[C@@](C)([NH3+])C[*:1]
C[C@@H](C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1)N1CCCCC1=O CC(C)(C)[C@H](O)C[*:1] C[C@@H](C(=O)N1CCN(CC1)[*:1])N1CCCCC1=O
C[C@@H](C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1)N1CCCCC1=O CC(C)(C)[C@H](O)[*:1] C[C@@H](C(=O)N1CCN(CC1)C[*:1])N1CCCCC1=O
C[C@@H](C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1)N1CCCCC1=O CC(C)(C)[*:1] C[C@@H](C(=O)N1CCN(CC1)C[C@@H](O)[*:1])N1CCCCC1=O
C[C@@H](C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1)N1CCCCC1=O O=C1CCCCN1[*:1] C[C@@H](C(=O)N1CCN(CC1)C[C@@H](O)C(C)(C)C)[*:1]
Cc1ccc([C@H](C)NC(=O)C[S@](=O)Cc2cccc(C(F)(F)F)c2)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)[C@H](C)NC(=O)C[S@](=O)Cc1cccc(c1)[*:1]
Cc1ccc([C@H](C)NC(=O)C[S@](=O)Cc2cccc(C(F)(F)F)c2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](NC(=O)C[S@](=O)Cc1cccc(c1)C(F)(F)F)[*:1]
COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(C)c1 Cc1cccc(c1)[*:1] COc1ccc(Br)cc1/C=C/C(=O)N[*:1]
CC(C)(C)[NH2+]C[C@@H](O)Cc1nc2ccccc2s1 CC(C)(C)[*:1] O[C@H](C[NH2+][*:1])Cc1nc2ccccc2s1
Cc1ncccc1C[NH+]1CCC(OCC2CCCC2)CC1 Cc1ncccc1[*:1] C1CCC(C1)COC1CC[NH+](CC1)C[*:1]
Cc1ncccc1C[NH+]1CCC(OCC2CCCC2)CC1 C1CCC(C1)[*:1] Cc1ncccc1C[NH+]1CCC(CC1)OC[*:1]
Cc1ncccc1C[NH+]1CCC(OCC2CCCC2)CC1 C1CCC(C1)C[*:1] Cc1ncccc1C[NH+]1CCC(CC1)O[*:1]
Cc1ncccc1C[NH+]1CCC(OCC2CCCC2)CC1 C1CCC(C1)CO[*:1] Cc1ncccc1C[NH+]1CCC(CC1)[*:1]
CCc1ccsc1CNC(=O)N1[C@H]2CC[C@@H]1[C@H](C(=O)[O-])C2 O=C([O-])[*:1] CCc1ccsc1CNC(=O)N1[C@H]2CC[C@@H]1[C@H](C2)[*:1]
CCc1ccsc1CNC(=O)N1[C@H]2CC[C@@H]1[C@H](C(=O)[O-])C2 CCc1ccsc1[*:1] O=C([O-])[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)NC[*:1]
C=CCN(C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
C=CCN(C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 C=CC[*:1] Cn1c(=O)c2c(ncn2CCCC(=O)N(c2ccccc2)[*:1])n(C)c1=O
COC(=O)Cc1nc([C@@H]2CN(C)CCO2)no1 COC(=O)C[*:1] CN1CCO[C@@H](C1)c1noc(n1)[*:1]
COC(=O)Cc1nc([C@@H]2CN(C)CCO2)no1 COC(=O)[*:1] CN1CCO[C@@H](C1)c1noc(C[*:1])n1
Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3Cl)nc3cc(=O)[nH]n23)c1 Cc1cc(C)cc(c1)[*:1] O=C(CSc1nc(nc2cc(=O)[nH]n12)-c1ccccc1Cl)N[*:1]
Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3Cl)nc3cc(=O)[nH]n23)c1 Clc1ccccc1[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nc(nc2cc(=O)[nH]n12)[*:1]
CCc1cc2c(=O)n3c(nc2s1)/C(=C/c1ccsc1)CC3 c1cc(cs1)[*:1] CCc1cc2c(=O)n3CCC(=C[*:1])c3nc2s1
CCCCC[C@H](C)NC(=O)N1CC[C@@H](C)[C@H](O)C1 CCC[*:1] C[C@@H](CC[*:1])NC(=O)N1CC[C@@H](C)[C@H](O)C1
CCCCC[C@H](C)NC(=O)N1CC[C@@H](C)[C@H](O)C1 CCCC[*:1] C[C@@H](C[*:1])NC(=O)N1CC[C@@H](C)[C@H](O)C1
CCCCC[C@H](C)NC(=O)N1CC[C@@H](C)[C@H](O)C1 CCCCC[*:1] C[C@H](NC(=O)N1CC[C@@H](C)[C@H](O)C1)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 C1CC1[*:1] C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(c1)C(=O)N[*:1]
C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)S[C@@H](C)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)S[C@@H](C)C2)c(c1)[*:1]
Cc1cc(C)n(C[C@@H](C)NC(=O)Nc2cccc3ccccc23)n1 Cc1cc(C)n(C[*:1])n1 C[C@@H](NC(=O)Nc1cccc2ccccc12)[*:1]
Cc1cc(C)n(C[C@@H](C)NC(=O)Nc2cccc3ccccc23)n1 Cc1cc(C)n(n1)[*:1] C[C@H](C[*:1])NC(=O)Nc1cccc2ccccc12
COC(=O)c1sccc1NC(=O)COc1ccc2c(c1)CCC(=O)N2 COC(=O)[*:1] O=C1CCc2cc(ccc2N1)OCC(=O)Nc1ccsc1[*:1]
C=CCOC(=O)c1ccc(-n2cnc(C)n2)nc1 Cc1ncn(n1)[*:1] C=CCOC(=O)c1ccc(nc1)[*:1]
C=CCOC(=O)c1ccc(-n2cnc(C)n2)nc1 C=CC[*:1] Cc1ncn(n1)-c1ccc(cn1)C(=O)O[*:1]
C=CCOC(=O)c1ccc(-n2cnc(C)n2)nc1 C=CCOC(=O)[*:1] Cc1ncn(n1)-c1ccc(cn1)[*:1]
CCC[C@@H]([NH3+])CCCc1ccc(O)cc1 CCC[*:1] [NH3+][C@@H](CCCc1ccc(O)cc1)[*:1]
CC(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@@H]2O)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NC[C@H]1CCC[C@@H]1O
O=C(Nc1nccs1)C1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 Fc1ccccc1[*:1] O=C(Nc1nccs1)C1CCN(CC1)C(=O)c1ccc(o1)[*:1]
O=C(Nc1nccs1)C1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 c1csc(n1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(o1)-c1ccccc1F
O=C(Nc1nccs1)C1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 O=C(Nc1nccs1)[*:1] O=C(c1ccc(o1)-c1ccccc1F)N1CCC(CC1)[*:1]
COc1ccc(-c2ccc(=O)n(CCCC(=O)NC3CCCC3)n2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)-c1ccc(=O)n(CCCC(=O)N[*:1])n1
COc1ccc(-c2ccc(=O)n(CCCC(=O)NC3CCCC3)n2)cc1 COc1ccc(cc1)[*:1] O=C(CCCn1nc(ccc1=O)[*:1])NC1CCCC1
COc1ccc(-c2ccc(=O)n(CCCC(=O)NC3CCCC3)n2)cc1 O=C(NC1CCCC1)[*:1] COc1ccc(cc1)-c1ccc(=O)n(CCC[*:1])n1
Cn1cc(N2CCC[C@@H](NC(=O)NCc3cccc(CO)c3)C2)cn1 OCc1cccc(c1)[*:1] Cn1cc(cn1)N1CCC[C@H](C1)NC(=O)NC[*:1]
Cn1cc(N2CCC[C@@H](NC(=O)NCc3cccc(CO)c3)C2)cn1 Cn1cc(cn1)[*:1] O=C(NCc1cccc(c1)CO)N[C@@H]1CCCN(C1)[*:1]
Cn1nnnc1SCC(=O)Nc1ccc(SC2CCCC2)cc1 C1CCC(C1)S[*:1] Cn1nnnc1SCC(=O)Nc1ccc(cc1)[*:1]
Cn1nnnc1SCC(=O)Nc1ccc(SC2CCCC2)cc1 C1CCC(C1)[*:1] Cn1nnnc1SCC(=O)Nc1ccc(cc1)S[*:1]
Cn1nnnc1SCC(=O)Nc1ccc(SC2CCCC2)cc1 Cn1nnnc1[*:1] O=C(CS[*:1])Nc1ccc(cc1)SC1CCCC1
Cn1nnnc1SCC(=O)Nc1ccc(SC2CCCC2)cc1 Cn1nnnc1S[*:1] O=C(C[*:1])Nc1ccc(cc1)SC1CCCC1
CC(C)(CNCc1nc2c(s1)CCC2)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNCc1nc2CCCc2s1)[*:1]
CCC[C@@H](C)C[C@H]([NH3+])c1ncc(Cl)cc1Cl CCC[C@@H](C)[*:1] [NH3+][C@@H](C[*:1])c1ncc(Cl)cc1Cl
CCC[C@@H](C)C[C@H]([NH3+])c1ncc(Cl)cc1Cl CCC[*:1] C[C@@H](C[C@H]([NH3+])c1ncc(Cl)cc1Cl)[*:1]
O=C(c1c[nH+]c2ccc(Cl)cc2c1N1CCN(c2ccccc2F)CC1)N1CCCCC1 Fc1ccccc1[*:1] O=C(c1c[nH+]c2ccc(Cl)cc2c1N1CCN(CC1)[*:1])N1CCCCC1
O=C(c1c[nH+]c2ccc(Cl)cc2c1N1CCN(c2ccccc2F)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] Fc1ccccc1N1CCN(CC1)c1c(c[nH+]c2ccc(Cl)cc12)[*:1]
Cc1cccc(-c2cc(=O)[nH]c(Nc3cc(F)c(F)c(F)c3)n2)c1 Cc1cccc(c1)[*:1] O=c1cc(nc(Nc2cc(F)c(F)c(F)c2)[nH]1)[*:1]
C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] C[NH+]1CCN(CC1)CC(=O)N1CCNC(=O)[C@H]1CC(=O)N[*:1]
O=C1CC(C(=O)NCCc2ccc(OCC3CCCCC3)cc2)=Cc2ccccc2N1 C1CCC(CC1)CO[*:1] O=C1CC(=Cc2ccccc2N1)C(=O)NCCc1ccc(cc1)[*:1]
O=C1CC(C(=O)NCCc2ccc(OCC3CCCCC3)cc2)=Cc2ccccc2N1 C1CCC(CC1)C[*:1] O=C1CC(=Cc2ccccc2N1)C(=O)NCCc1ccc(cc1)O[*:1]
O=C1CC(C(=O)NCCc2ccc(OCC3CCCCC3)cc2)=Cc2ccccc2N1 C1CCC(CC1)[*:1] O=C1CC(=Cc2ccccc2N1)C(=O)NCCc1ccc(cc1)OC[*:1]
C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1nc2c(s1)CCCC2 O=C1CCCN1C[*:1] C[C@@H](N[C@H](c1ccccc1)[*:1])c1nc2CCCCc2s1
C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1nc2c(s1)CCCC2 O=C1CCCN1[*:1] C[C@@H](N[C@H](C[*:1])c1ccccc1)c1nc2CCCCc2s1
C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1nc2c(s1)CCCC2 c1ccc(cc1)[*:1] C[C@@H](N[C@H](CN1CCCC1=O)[*:1])c1nc2CCCCc2s1
Fc1ccc(F)c(CC[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1 FC(F)(F)[*:1] Fc1ccc(F)c(c1)CC[NH2+][C@H]1CCN(C1)C[*:1]
Fc1ccc(F)c(CC[NH2+][C@H]2CCN(CC(F)(F)F)C2)c1 FC(F)(F)C[*:1] Fc1ccc(F)c(c1)CC[NH2+][C@H]1CCN(C1)[*:1]
CCCC[C@@H](C(=O)[O-])C1(O)Cc2ccccc2C1 O=C([O-])[*:1] CCCC[C@@H](C1(O)Cc2ccccc2C1)[*:1]
CCCC[C@@H](C(=O)[O-])C1(O)Cc2ccccc2C1 CCCC[*:1] O=C([O-])[C@@H](C1(O)Cc2ccccc2C1)[*:1]
CCCC[C@@H](C(=O)[O-])C1(O)Cc2ccccc2C1 CCC[*:1] O=C([O-])[C@H](C[*:1])C1(O)Cc2ccccc2C1
CC(C)c1nc(S(=O)(=O)NC[C@H](C)Oc2cccc(F)c2)c[nH]1 Fc1cccc(c1)[*:1] CC(C)c1nc(c[nH]1)S(=O)(=O)NC[C@H](C)O[*:1]
CC(C)c1nc(S(=O)(=O)NC[C@H](C)Oc2cccc(F)c2)c[nH]1 CC(C)[*:1] C[C@@H](CNS(=O)(=O)c1c[nH]c(n1)[*:1])Oc1cccc(F)c1
COc1cc2c(cc1CN1CC[C@@H](c3cc(=O)[nH]c(C)n3)C1)CCCC2 Cc1nc(cc(=O)[nH]1)[*:1] COc1cc2CCCCc2cc1CN1CC[C@@H](C1)[*:1]
CCN(c1cc(C)c([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1C[NH3+] O=[N+]([O-])[*:1] CCN(c1cc(C)c(cn1)[*:1])[C@H]1CCC[C@@H]1C[NH3+]
Cn1c(=O)c2c(nc(N/N=C\c3cccc(O)c3)n2Cc2ccc(F)cc2)n(C)c1=O Oc1cccc(/C=N\N[*:1])c1 Cn1c(=O)c2c(nc(n2Cc2ccc(F)cc2)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N/N=C\c3cccc(O)c3)n2Cc2ccc(F)cc2)n(C)c1=O Fc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(N/N=C\c3cccc(O)c3)n2C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N/N=C\c3cccc(O)c3)n2Cc2ccc(F)cc2)n(C)c1=O Fc1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(N/N=C\c3cccc(O)c3)n2[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N/N=C\c3cccc(O)c3)n2Cc2ccc(F)cc2)n(C)c1=O Oc1cccc(c1)[*:1] Cn1c(=O)c2c(nc(NN=C[*:1])n2Cc2ccc(F)cc2)n(C)c1=O
CCN(CC)c1ccc(C(=O)Nc2ccccc2-c2ncc[nH]2)cn1 CCN(CC)[*:1] O=C(Nc1ccccc1-c1ncc[nH]1)c1ccc(nc1)[*:1]
CCN(CC)c1ccc(C(=O)Nc2ccccc2-c2ncc[nH]2)cn1 c1c[nH]c(n1)[*:1] CCN(CC)c1ccc(cn1)C(=O)Nc1ccccc1[*:1]
Cc1ccsc1/C=C(/C#N)C(=O)NCc1ccco1 c1coc(c1)[*:1] Cc1ccsc1/C=C(/C#N)C(=O)NC[*:1]
Cc1ccsc1/C=C(/C#N)C(=O)NCc1ccco1 Cc1ccsc1[*:1] N#CC(=C[*:1])C(=O)NCc1ccco1
Cc1ccsc1/C=C(/C#N)C(=O)NCc1ccco1 c1coc(c1)C[*:1] Cc1ccsc1/C=C(/C#N)C(=O)N[*:1]
CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(cc1)S[*:1]
CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(cc1)[*:1]
CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(SC(F)F)cc1 Fc1ccc(c(F)c1)[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)SC(F)F
O=C(Cn1cccn1)N(CC1CC[NH2+]CC1)C1CC1 c1cnn(c1)C[*:1] O=C(N(CC1CC[NH2+]CC1)C1CC1)[*:1]
O=C(Cn1cccn1)N(CC1CC[NH2+]CC1)C1CC1 c1cnn(c1)[*:1] O=C(C[*:1])N(CC1CC[NH2+]CC1)C1CC1
O=C(Cn1cccn1)N(CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] O=C(Cn1cccn1)N(CC1CC[NH2+]CC1)[*:1]
COc1ccc(-c2n[nH]cc2C[NH2+]C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)-c1n[nH]cc1C[NH2+][*:1]
CC(C)CNC(=O)c1cc(-c2ccco2)n(C)n1 CC(C)C[*:1] Cn1nc(cc1-c1ccco1)C(=O)N[*:1]
CC(C)CNC(=O)c1cc(-c2ccco2)n(C)n1 CC(C)[*:1] Cn1nc(cc1-c1ccco1)C(=O)NC[*:1]
CC(C)CNC(=O)c1cc(-c2ccco2)n(C)n1 c1coc(c1)[*:1] CC(C)CNC(=O)c1cc(n(C)n1)[*:1]
CCOC1CCN(/C(NCc2ccnc(OC)c2)=[NH+]\C)CC1 CCO[*:1] C/[NH+]=C(/NCc1ccnc(c1)OC)N1CCC(CC1)[*:1]
C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cc(cs1)[*:1] C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(cc1)NC(=O)c1csc(c1)[*:1]
CN(C)[C@H](C(=O)N1CCOC2(CCCC2)C1)c1ccccc1F CN(C)[*:1] O=C([C@H](c1ccccc1F)[*:1])N1CCOC2(CCCC2)C1
CN(C)[C@H](C(=O)N1CCOC2(CCCC2)C1)c1ccccc1F Fc1ccccc1[*:1] CN(C)[C@H](C(=O)N1CCOC2(CCCC2)C1)[*:1]
COC(=O)C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)C[C@H](NC(=O)c1ccc(cc1)N(C)C)[*:1]
COC(=O)C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)cc1 COC(=O)C[*:1] Cc1ccc(cc1)[C@@H](NC(=O)c1ccc(cc1)N(C)C)[*:1]
COC(=O)C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)cc1 CN(C)[*:1] COC(=O)C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(C)cc1
COC(=O)C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@H](C[*:1])NC(=O)c1ccc(cc1)N(C)C
C[NH+](CCS(C)(=O)=O)Cc1oc2ccccc2c1C(=O)[O-] CS(=O)(=O)CC[*:1] C[NH+](Cc1oc2ccccc2c1C(=O)[O-])[*:1]
C[NH+](CCS(C)(=O)=O)Cc1oc2ccccc2c1C(=O)[O-] CS(=O)(=O)[*:1] C[NH+](CC[*:1])Cc1oc2ccccc2c1C(=O)[O-]
C[NH+](CCS(C)(=O)=O)Cc1oc2ccccc2c1C(=O)[O-] O=C([O-])[*:1] C[NH+](CCS(C)(=O)=O)Cc1oc2ccccc2c1[*:1]
C[NH+](CCS(C)(=O)=O)Cc1oc2ccccc2c1C(=O)[O-] CS(=O)(=O)C[*:1] C[NH+](Cc1oc2ccccc2c1C(=O)[O-])C[*:1]
O=C(NCC1(c2ccccc2)CCC1)N1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] O=C(NCC1(CCC1)c1ccccc1)N1CCN(CC1)C(=O)[*:1]
O=C(NCC1(c2ccccc2)CCC1)N1CCN(C(=O)c2ccoc2)CC1 c1ccc(cc1)[*:1] O=C(NCC1(CCC1)[*:1])N1CCN(CC1)C(=O)c1ccoc1
CCc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)/C(C)=N/NC(=O)[C@@H]1C[C@H]1[*:1]
C[S@@](=O)c1ccc(CNC(=O)CCSc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)CCS[*:1]
NC(=O)[S@](=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[S@](=O)C(c1ccccc1)[*:1]
CC(C)CO[C@@H]1CCN(Cc2cnc(C3CC3)s2)C1 CC(C)C[*:1] c1nc(sc1CN1CC[C@H](C1)O[*:1])C1CC1
CC(C)CO[C@@H]1CCN(Cc2cnc(C3CC3)s2)C1 CC(C)CO[*:1] c1nc(sc1CN1CC[C@H](C1)[*:1])C1CC1
CC(C)CO[C@@H]1CCN(Cc2cnc(C3CC3)s2)C1 C1CC1[*:1] CC(C)CO[C@@H]1CCN(Cc2cnc(s2)[*:1])C1
CC(C)CO[C@@H]1CCN(Cc2cnc(C3CC3)s2)C1 CC(C)[*:1] c1nc(sc1CN1CC[C@H](C1)OC[*:1])C1CC1
COc1ccc(OCCCN(C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)OCCCN(C)[*:1]
CCCCNC(=O)N(O)[C@@H]1N(/N=C/c2ccccc2F)C(=S)SC1(C)C CCCC[*:1] CC1(C)SC(=S)N(/N=C/c2ccccc2F)[C@H]1N(O)C(=O)N[*:1]
CCCCNC(=O)N(O)[C@@H]1N(/N=C/c2ccccc2F)C(=S)SC1(C)C CCC[*:1] CC1(C)SC(=S)N(/N=C/c2ccccc2F)[C@H]1N(O)C(=O)NC[*:1]
CCCCNC(=O)N(O)[C@@H]1N(/N=C/c2ccccc2F)C(=S)SC1(C)C Fc1ccccc1[*:1] CCCCNC(=O)N(O)[C@@H]1N(N=C[*:1])C(=S)SC1(C)C
Cc1cc(NC(=O)CN2CCO[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)no1 Cc1cc(no1)NC(=O)[*:1] O=C([C@@H]1CN(CCO1)C[*:1])N1CCN(CC1)c1ccccc1
Cc1cc(NC(=O)CN2CCO[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)no1 Cc1cc(no1)NC(=O)C[*:1] O=C([C@@H]1CN(CCO1)[*:1])N1CCN(CC1)c1ccccc1
Cc1cc(NC(=O)CN2CCO[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CN1CCO[C@@H](C1)C(=O)N1CCN(CC1)[*:1]
Cc1cc(NC(=O)CN2CCO[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)no1 Cc1cc(no1)[*:1] O=C(CN1CCO[C@@H](C1)C(=O)N1CCN(CC1)c1ccccc1)N[*:1]
C[S@](=O)c1ccccc1NC(=O)C[C@@H]1OCCc2ccccc21 C[S@](=O)[*:1] O=C(C[C@@H]1OCCc2ccccc21)Nc1ccccc1[*:1]
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCl O=C(CCl)OC[*:1] C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)[*:1]
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCl O=C(CCl)O[*:1] C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)C[*:1]
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCl O=C(CCl)OCC(=O)[*:1] C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)[*:1]
COc1cccc2cc(C(N)=O)/c(=[NH+]/c3ccc(C(C)C)cc3)oc12 CC(C)[*:1] COc1cccc2cc(C(N)=O)/c(=[NH+]/c3ccc(cc3)[*:1])oc12
COc1cccc2cc(C(N)=O)/c(=[NH+]/c3ccc(C(C)C)cc3)oc12 NC(=O)[*:1] COc1cccc2cc(/c(=[NH+]/c3ccc(cc3)C(C)C)oc12)[*:1]
CN(C[C@H]1CCOC1)c1ncccc1Cl C1C[C@@H](CO1)[*:1] CN(C[*:1])c1ncccc1Cl
CCOc1ncccc1C(=O)NC[C@H]1Cc2ccccc2O1 CCO[*:1] O=C(NC[C@H]1Cc2ccccc2O1)c1cccnc1[*:1]
Cc1cc(NC[C@@H](O)CN2CCOCC2)c(Cl)cc1[N+](=O)[O-] C1CN(CCO1)C[*:1] Cc1cc(NC[C@@H](O)[*:1])c(Cl)cc1[N+](=O)[O-]
Cc1cc(NC[C@@H](O)CN2CCOCC2)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(NC[C@@H](O)CN2CCOCC2)c(Cl)cc1[*:1]
Cc1cc(NC[C@@H](O)CN2CCOCC2)c(Cl)cc1[N+](=O)[O-] C1CN(CCO1)[*:1] Cc1cc(NC[C@@H](O)C[*:1])c(Cl)cc1[N+](=O)[O-]
Cc1ccc(F)c(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] Cc1ccc(F)c(c1)/[NH+]=c1\oc2cc(O)ccc2cc1C(=O)N[*:1]
Cc1ccc(F)c(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] Cc1ccc(F)c(c1)/[NH+]=c1\oc2cc(O)ccc2cc1C(=O)NC[*:1]
Cc1ccc(F)c(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 O=C(NCc1ccco1)[*:1] Cc1ccc(F)c(c1)/[NH+]=c1\oc2cc(O)ccc2cc1[*:1]
Cc1ccc(F)c(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 Cc1ccc(F)c(c1)[*:1] O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=[NH+][*:1]
Cc1cn2c(CN(C)C(=O)[C@@H]3CNC(=O)C3)c(C)nc2s1 O=C1C[C@@H](CN1)[*:1] Cc1cn2c(CN(C)C(=O)[*:1])c(C)nc2s1
Cc1cc([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)CS3)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H](NC(=O)c1ccc2SCC(=O)Nc2c1)[*:1]
COCC[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1Br COCC[*:1] Brc1ccccc1[C@@H]1OCCC[C@@H]1C[NH2+][*:1]
COCC[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1Br COC[*:1] Brc1ccccc1[C@@H]1OCCC[C@@H]1C[NH2+]C[*:1]
CC[C@H]1CCCC[C@@H]1n1c(CCCl)nc2cnccc21 ClCC[*:1] CC[C@H]1CCCC[C@@H]1n1c(nc2cnccc21)[*:1]
CC1=NN(C(=O)Nc2ccc(Cl)cc2)C(=O)[C@@H]2CCC(=O)N12 Clc1ccc(cc1)[*:1] CC1=NN(C(=O)N[*:1])C(=O)[C@@H]2CCC(=O)N12
O=C(/C=C/Nc1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] O=C(/C=C/Nc1ccc(F)cc1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)CCCC(=O)[O-] O=C([O-])C[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CC[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)CCCC(=O)[O-] O=C([O-])CC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)CCCC(=O)[O-] O=C([O-])[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CCC[*:1]
CO[C@H]1[C@H](NC(=O)c2ccccc2)[C@H](OC)O[C@@H]1[C@H](O)CO OC[C@@H](O)[*:1] CO[C@H]1[C@H](NC(=O)c2ccccc2)[C@H](OC)O[C@H]1[*:1]
CO[C@H]1[C@H](NC(=O)c2ccccc2)[C@H](OC)O[C@@H]1[C@H](O)CO c1ccc(cc1)[*:1] CO[C@H]1[C@H](NC(=O)[*:1])[C@H](OC)O[C@@H]1[C@H](O)CO
N#C/C(=C/c1cccs1)c1nc([O-])c2cc(Cl)ccc2n1 c1csc(c1)[*:1] N#CC(=C[*:1])c1nc([O-])c2cc(Cl)ccc2n1
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 CC[C@@H](C)O[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)c1ccc(cc1)[*:1]
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 O=S(=O)(N1CCCC1)[*:1] CC[C@@H](C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1NC(=O)C[*:1]
CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1C[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1NC(=O)[*:1]
CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1NC(=O)Cc1ccccc1[*:1]
Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)cc1 Cc1ccc(cc1)N[*:1] Cc1ccc2c(c(cnc2n1)C(=O)N1CCCC1)[*:1]
Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)Nc1c(cnc2nc(C)ccc12)[*:1]
Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2c(N[*:1])c(cnc2n1)C(=O)N1CCCC1
CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)[C@@H](C)OC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1nc2ccccc2s1 Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NNC(=O)/C=C/c1nc2ccccc2s1
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C=C[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1nc2ccccc2s1 Fc1ccccc1O[*:1] C[C@H](C(=O)NNC(=O)/C=C/c1nc2ccccc2s1)[*:1]
O=C(c1ccccn1)N1CCc2cc(Br)sc2C1 c1ccc(nc1)[*:1] O=C(N1CCc2cc(Br)sc2C1)[*:1]
CC(C)Nc1ncc(C(=O)N2CCC3=C(C2)[C@H](C2CCC2)N=N3)cn1 C1CC(C1)[*:1] CC(C)Nc1ncc(cn1)C(=O)N1CCC2N=N[C@@H](C=2C1)[*:1]
CC(C)Nc1ncc(C(=O)N2CCC3=C(C2)[C@H](C2CCC2)N=N3)cn1 CC(C)[*:1] O=C(c1cnc(nc1)N[*:1])N1CCC2N=N[C@H](C=2C1)C1CCC1
CC(C)Nc1ncc(C(=O)N2CCC3=C(C2)[C@H](C2CCC2)N=N3)cn1 CC(C)N[*:1] O=C(c1cnc(nc1)[*:1])N1CCC2N=N[C@H](C=2C1)C1CCC1
CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(F)c(Br)c2)[C@H]2C(=O)CCCC2=N1 O=C(N1CCOCC1)[*:1] CC1N=C2CCCC(=O)[C@@H]2[C@@H](C=1[*:1])c1ccc(F)c(Br)c1
CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(F)c(Br)c2)[C@H]2C(=O)CCCC2=N1 Fc1ccc(cc1Br)[*:1] CC1N=C2CCCC(=O)[C@@H]2[C@H](C=1C(=O)N1CCOCC1)[*:1]
Cc1ccc2[nH]cc(CCC(=O)N(C)Cc3ccc(C)o3)c2c1 Cc1ccc(o1)[*:1] Cc1ccc2[nH]cc(CCC(=O)N(C)C[*:1])c2c1
Cc1ccc2[nH]cc(CCC(=O)N(C)Cc3ccc(C)o3)c2c1 Cc1ccc(C[*:1])o1 Cc1ccc2[nH]cc(CCC(=O)N(C)[*:1])c2c1
CC[C@]1(c2ccccc2)NC(=O)N(C[C@@H](O)c2ccccc2Cl)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(C[C@@H](O)c2ccccc2Cl)C1=O)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(C[C@@H](O)c2ccccc2Cl)C1=O Clc1ccccc1[*:1] CC[C@@]1(NC(=O)N(C[C@@H](O)[*:1])C1=O)c1ccccc1
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCO2)[C@@H](CNC(=O)[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] CC(C)(C)OC(=O)N1CCN(C(=O)[*:1])[C@@H](CNC(=O)[C@@H]2CCCO2)C1
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCO2)[C@@H](CNC(=O)[C@@H]2CCCO2)C1 O=C(N[*:1])[C@@H]1CCCO1 CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCO2)[C@H](C1)C[*:1]
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCO2)[C@@H](CNC(=O)[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCO2)[C@@H](CNC(=O)[*:1])C1
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCO2)[C@@H](CNC(=O)[C@@H]2CCCO2)C1 O=C(NC[*:1])[C@@H]1CCCO1 CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCO2)[C@@H](C1)[*:1]
CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCO2)[C@@H](CNC(=O)[C@@H]2CCCO2)C1 CC(C)(C)[*:1] O=C(NC[C@H]1CN(CCN1C(=O)[C@@H]1CCCO1)C(=O)O[*:1])[C@@H]1CCCO1
O=C(c1cccs1)N1CCC(C2=NN=C[C@@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccs1)N1CCC(CC1)C1=NN=C[C@H]1[*:1]
O=C(c1cccs1)N1CCC(C2=NN=C[C@@H]2c2ccccc2)CC1 c1csc(c1)[*:1] O=C(N1CCC(CC1)C1=NN=C[C@@H]1c1ccccc1)[*:1]
[NH3+][C@H](c1nc[nH]n1)[C@@H]1CCO[C@]2(CCSC2)C1 c1nc(n[nH]1)[*:1] [NH3+][C@H]([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCOC(=O)COC(=O)c1ccccc1O CCOC(=O)[*:1] O=C(OC[*:1])c1ccccc1O
CCc1ccc(N[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 O=S1(=O)CC[C@@H](C1)[*:1] CCc1ccc(cc1)N[C@@H](C)C(=O)N(C)[*:1]
CCOC(=O)/C=C/c1ccc2cc(OC)ccc2c1 CCOC(=O)[*:1] COc1ccc2cc(C=C[*:1])ccc2c1
COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)CC(C)C CC(C)[*:1] COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)C[*:1]
COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)CC(C)C CC(C)C[*:1] COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)[*:1]
C[C@@](O)(C#CC[NH+]1CCCCC1)C1CC1 C1CC1[*:1] C[C@@](O)(C#CC[NH+]1CCCCC1)[*:1]
CN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2=C1CC(C)(C)CC2=O FC(F)(F)[*:1] CN1C(=O)N[C@H](C2C(=O)CC(C)(C)CC=21)c1cccc(c1)[*:1]
Cc1n[nH]c(C(=O)N[C@H](c2ccccc2)c2ccco2)n1 c1coc(c1)[*:1] Cc1n[nH]c(n1)C(=O)N[C@H](c1ccccc1)[*:1]
Cc1n[nH]c(C(=O)N[C@H](c2ccccc2)c2ccco2)n1 Cc1n[nH]c(n1)[*:1] O=C(N[C@H](c1ccccc1)c1ccco1)[*:1]
Cc1n[nH]c(C(=O)N[C@H](c2ccccc2)c2ccco2)n1 c1ccc(cc1)[*:1] Cc1n[nH]c(n1)C(=O)N[C@H](c1ccco1)[*:1]
O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1ccccc1Cl c1ccc(nc1)[*:1] O=C(Nc1ccccc1-c1nc(no1)[*:1])c1ccccc1Cl
O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1ccccc1-c1nc(no1)-c1ccccn1)[*:1]
CC[C@@H](C)[C@@H](O)c1cscc1C CC[C@@H](C)[*:1] Cc1cscc1[C@H](O)[*:1]
O[C@H]1CCCN(c2cc(-c3nc(-c4ccncc4)no3)cc[nH+]2)C1 c1cc(ccn1)[*:1] O[C@H]1CCCN(C1)c1cc(cc[nH+]1)-c1nc(no1)[*:1]
CS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[NH+](Cc1ccccc1)C2 CS(=O)(=O)[*:1] NC(=O)c1c(NC(=O)c2ccccc2[*:1])sc2C[NH+](CCc21)Cc1ccccc1
CS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[NH+](Cc1ccccc1)C2 c1ccc(cc1)C[*:1] CS(=O)(=O)c1ccccc1C(=O)Nc1sc2C[NH+](CCc2c1C(N)=O)[*:1]
CS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[NH+](Cc1ccccc1)C2 CS(=O)(=O)c1ccccc1[*:1] NC(=O)c1c(NC(=O)[*:1])sc2C[NH+](CCc21)Cc1ccccc1
CS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[NH+](Cc1ccccc1)C2 NC(=O)[*:1] CS(=O)(=O)c1ccccc1C(=O)Nc1sc2C[NH+](CCc2c1[*:1])Cc1ccccc1
CS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[NH+](Cc1ccccc1)C2 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccccc1C(=O)Nc1sc2C[NH+](CCc2c1C(N)=O)C[*:1]
S=C(NCCN1CCOCC1)N1CCC[C@@H]2CCCC[C@@H]21 C1CN(CCO1)[*:1] S=C(NCC[*:1])N1CCC[C@@H]2CCCC[C@@H]21
S=C(NCCN1CCOCC1)N1CCC[C@@H]2CCCC[C@@H]21 C1CN(CCO1)C[*:1] S=C(NC[*:1])N1CCC[C@@H]2CCCC[C@@H]21
O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1 C1CO[C@@H](C1)[*:1] O=C([C@@H]1Cc2ccccc2S1)N1CCN(CC1)C(=O)[*:1]
COCCCn1ccc(NC(=O)c2cnn(C(C)C)c2C)n1 COCC[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccn(C[*:1])n1
COCCCn1ccc(NC(=O)c2cnn(C(C)C)c2C)n1 COCCC[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccn(n1)[*:1]
COCCCn1ccc(NC(=O)c2cnn(C(C)C)c2C)n1 COC[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccn(CC[*:1])n1
COCCCn1ccc(NC(=O)c2cnn(C(C)C)c2C)n1 CC(C)[*:1] COCCCn1ccc(n1)NC(=O)c1cnn(c1C)[*:1]
COc1ccc(C[C@H]2COc3c(cccc3OC)C2)cc1C(N)=O NC(=O)[*:1] COc1ccc(cc1[*:1])C[C@H]1COc2c(cccc2OC)C1
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C=C2CCSCC2)C1 CC(C)(C)[*:1] O=C(N[C@H]1CCN(C1)C(=O)C=C1CCSCC1)O[*:1]
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)o2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc(F)c(Cl)c1
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)o2)cc1 Fc1ccc(cc1Cl)[*:1] COc1ccc(cc1)-c1nnc(o1)SCC(=O)N[*:1]
Cc1csc([C@H](C#N)C(=O)CCSc2ccccc2)n1 Cc1csc(n1)[*:1] N#C[C@H](C(=O)CCSc1ccccc1)[*:1]
Cc1csc([C@H](C#N)C(=O)CCSc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@H](C#N)C(=O)CCS[*:1]
COc1cc2c(cc1NC(=S)NC(=O)c1ccc(Cl)nc1)oc1ccccc12 Clc1ccc(cn1)[*:1] COc1cc2c(cc1NC(=S)NC(=O)[*:1])oc1ccccc12
O=C(NCC1CC1)[C@@H]1[N-]C(C2=CC=C[C@@H]3N=CC=C23)=NO1 O=C(NCC1CC1)[*:1] C1=C[C@@H]2N=CC=C2C(=C1)C1=NO[C@@H]([N-]1)[*:1]
O=C(NCC1CC1)[C@@H]1[N-]C(C2=CC=C[C@@H]3N=CC=C23)=NO1 C1CC1C[*:1] O=C(N[*:1])[C@@H]1[N-]C(=NO1)C1=CC=C[C@@H]2N=CC=C12
O=C(NCC1CC1)[C@@H]1[N-]C(C2=CC=C[C@@H]3N=CC=C23)=NO1 C1CC1[*:1] O=C(NC[*:1])[C@@H]1[N-]C(=NO1)C1=CC=C[C@@H]2N=CC=C12
O=C(CCc1n[nH]c(=S)[nH]c1=O)Nc1ccc2c(c1)OC(F)(F)O2 O=c1[nH]c(=S)[nH]nc1[*:1] O=C(CC[*:1])Nc1ccc2OC(F)(F)Oc2c1
Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C(=O)[O-])C(C)C c1coc(c1)[*:1] Cc1sc(nc1C(=O)N[C@@H](C(=O)[O-])C(C)C)[*:1]
Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C(=O)[O-])C(C)C CC(C)[*:1] Cc1sc(nc1C(=O)N[C@@H](C(=O)[O-])[*:1])-c1ccco1
Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C(=O)[O-])C(C)C O=C([O-])[*:1] Cc1sc(nc1C(=O)N[C@@H](C(C)C)[*:1])-c1ccco1
COC(=O)C(C)(C)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 COC(=O)[*:1] C[C@@H]([NH3+])[C@@H]1CCCN(C1)CC(C)(C)[*:1]
Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(S(=O)(=O)c1cccc3nsnc13)C2 c1cc(c2nsnc2c1)[*:1] Cn1nc(C(=O)NCc2ccc(F)cc2)c2CN(CCc21)S(=O)(=O)[*:1]
Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(S(=O)(=O)c1cccc3nsnc13)C2 Fc1ccc(cc1)[*:1] Cn1nc(C(=O)NC[*:1])c2CN(CCc21)S(=O)(=O)c1cccc2nsnc12
Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(S(=O)(=O)c1cccc3nsnc13)C2 Fc1ccc(cc1)C[*:1] Cn1nc(C(=O)N[*:1])c2CN(CCc21)S(=O)(=O)c1cccc2nsnc12
Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(S(=O)(=O)c1cccc3nsnc13)C2 O=C(NCc1ccc(F)cc1)[*:1] Cn1nc(c2CN(CCc21)S(=O)(=O)c1cccc2nsnc12)[*:1]
Cc1nc(Cl)cc(NCC(C)(C)NC(=O)OC(C)(C)C)n1 CC(C)(C)[*:1] Cc1nc(Cl)cc(n1)NCC(C)(C)NC(=O)O[*:1]
COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C#N)c(Cl)c3)o2)cc1 N#Cc1ccc(cc1Cl)[*:1] COc1ccc(cc1)-c1cnc(CCC(=O)N[*:1])o1
COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C#N)c(Cl)c3)o2)cc1 COc1ccc(cc1)[*:1] N#Cc1ccc(cc1Cl)NC(=O)CCc1ncc(o1)[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)NCCCCSC CSCC[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)NCC[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)NCCCCSC CCC[*:1] CSCCCCNC(=O)N1CCC[C@@H](C)[C@@H]1[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)NCCCCSC CSCCC[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)NC[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)NCCCCSC CSCCCC[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)N[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)NCCCCSC CSC[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)NCCC[*:1]
Cc1cc(C)nc([C@@H](C#N)C(=O)CCCNC(=O)NC2CCCCC2)n1 Cc1cc(C)nc(n1)[*:1] N#C[C@@H](C(=O)CCCNC(=O)NC1CCCCC1)[*:1]
Cc1cc(C)nc([C@@H](C#N)C(=O)CCCNC(=O)NC2CCCCC2)n1 C1CCC(CC1)[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)CCCNC(=O)N[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)c3ccccc3F)cc12 Fc1ccccc1[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)c3ccccc3F)cc12 NC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])c1ccccc1F
COC(=O)NCc1ccc(NCc2ccc(Br)c(C)c2)cc1 COC(=O)NC[*:1] Cc1cc(ccc1Br)CNc1ccc(cc1)[*:1]
COC(=O)NCc1ccc(NCc2ccc(Br)c(C)c2)cc1 COC(=O)N[*:1] Cc1cc(ccc1Br)CNc1ccc(cc1)C[*:1]
C=C(C)C[NH+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 C=C(C)[*:1] CC[NH+](CC(=O)N1CCc2ccc(cc21)[N+](=O)[O-])C[*:1]
C=C(C)C[NH+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] C=C(C)C[NH+](CC)CC(=O)N1CCc2ccc(cc21)[*:1]
CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc21 Cc1cc(C)cc(c1)[*:1] CCS(=O)(=O)N1CCc2cc(ccc21)C(=O)N[*:1]
O=C(Nc1ccc(-c2cc[nH]n2)cc1)N[C@H]1CCCOc2ccccc21 c1cc(n[nH]1)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H]1CCCOc2ccccc21
Cc1ccc(CNC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@H](C)C(=O)N23)cc1 Cc1ccc(cc1)[*:1] C[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)NC[*:1])N2C1=O
Cc1ccc(CNC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@H](C)C(=O)N23)cc1 Cc1ccc(cc1)C[*:1] C[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)N[*:1])N2C1=O
C[C@H](CC(=O)NCCc1nc[nH]n1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)NCCc1nc[nH]n1)C[*:1]
COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CC[C@H](C(N)=O)C1 NC(=O)[*:1] COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CC[C@H](C1)[*:1]
O=C([O-])CCSC1=N[C@H]2C=Cc3nsnc3[C@H]2N1 O=C([O-])[*:1] C1=C[C@@H]2N=C(N[C@@H]2c2nsnc21)SCC[*:1]
O=C([O-])CCSC1=N[C@H]2C=Cc3nsnc3[C@H]2N1 O=C([O-])C[*:1] C1=C[C@@H]2N=C(N[C@@H]2c2nsnc21)SC[*:1]
O=C([O-])CCSC1=N[C@H]2C=Cc3nsnc3[C@H]2N1 O=C([O-])CC[*:1] C1=C[C@@H]2N=C(N[C@@H]2c2nsnc21)S[*:1]
C[C@H](NC(=O)NC[C@@H]1CCCN(c2ncccn2)C1)C(=O)NCc1ccco1 c1cnc(nc1)[*:1] C[C@H](NC(=O)NC[C@@H]1CCCN(C1)[*:1])C(=O)NCc1ccco1
C[C@H](NC(=O)NC[C@@H]1CCCN(c2ncccn2)C1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)NC[C@@H]1CCCN(C1)c1ncccn1)C(=O)NC[*:1]
C[C@H](NC(=O)NC[C@@H]1CCCN(c2ncccn2)C1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](NC(=O)NC[C@@H]1CCCN(C1)c1ncccn1)C(=O)N[*:1]
C[C@H](NC(=O)NC[C@@H]1CCCN(c2ncccn2)C1)C(=O)NCc1ccco1 O=C(NCc1ccco1)[*:1] C[C@H](NC(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CC(C)CC/C(N)=N/OCC(=O)Nc1ccccc1 CC(C)C[*:1] N/C(C[*:1])=N\OCC(=O)Nc1ccccc1
CC(C)CC/C(N)=N/OCC(=O)Nc1ccccc1 CC(C)CC[*:1] N/C(=N\OCC(=O)Nc1ccccc1)[*:1]
CC(C)CC/C(N)=N/OCC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)CC/C(N)=N/OCC(=O)N[*:1]
CC(C)CC/C(N)=N/OCC(=O)Nc1ccccc1 CC(C)[*:1] N/C(CC[*:1])=N\OCC(=O)Nc1ccccc1
Cc1cc(CN2CCS(=O)(=O)C(C)(C)C2)c(C)n1CCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1cc(CN2CCS(=O)(=O)C(C)(C)C2)c(C)n1C[*:1]
Cc1cc(CN2CCS(=O)(=O)C(C)(C)C2)c(C)n1CCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1cc(CN2CCS(=O)(=O)C(C)(C)C2)c(C)n1[*:1]
Cc1cc(CN2CCS(=O)(=O)C(C)(C)C2)c(C)n1CCN1CCOCC1 C1CN(CCO1)[*:1] Cc1cc(CN2CCS(=O)(=O)C(C)(C)C2)c(C)n1CC[*:1]
CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)CCn3ccnc3)C2)C1 c1cn(cn1)C[*:1] CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C2)C(=O)C[*:1])C1
CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)CCn3ccnc3)C2)C1 c1cn(cn1)[*:1] CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C2)C(=O)CC[*:1])C1
CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)CCn3ccnc3)C2)C1 c1cn(cn1)CC[*:1] CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C2)C(=O)[*:1])C1
C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)Cn1ccnc1 c1cn(cn1)C[*:1] C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)[*:1]
C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)Cn1ccnc1 c1cn(cn1)[*:1] C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)C[*:1]
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1cc2ccccc2o1 COC(=O)[*:1] COc1ccc2c(NC(=O)c3cc4ccccc4o3)c([nH]c2c1)[*:1]
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] COC(=O)c1[nH]c2cc(ccc2c1NC(=O)[*:1])OC
Cc1cc(C)n(CN2CCN(Cc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CN2CCN(CC2)C[*:1])n1
Cc1cc(C)n(CN2CCN(Cc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] Cc1cc(C)n(CN2CCN(CC2)[*:1])n1
Cc1cc(C)n(CN2CCN(Cc3ccccc3)CC2)n1 Cc1cc(C)n(n1)[*:1] c1ccc(cc1)CN1CCN(CC1)C[*:1]
Cc1ccc(NCc2noc(-c3ccccc3)n2)cc1N1CCOC1=O O=C1OCCN1[*:1] Cc1ccc(cc1[*:1])NCc1noc(n1)-c1ccccc1
Cc1ccc(NCc2noc(-c3ccccc3)n2)cc1N1CCOC1=O c1ccc(cc1)[*:1] Cc1ccc(cc1N1CCOC1=O)NCc1noc(n1)[*:1]
CC[NH+](Cc1ccccn1)Cc1cc(C)ccc1OC(F)F FC(F)O[*:1] CC[NH+](Cc1ccccn1)Cc1cc(C)ccc1[*:1]
CC[NH+](Cc1ccccn1)Cc1cc(C)ccc1OC(F)F c1ccc(C[*:1])nc1 CC[NH+](Cc1cc(C)ccc1OC(F)F)[*:1]
CC[NH+](Cc1ccccn1)Cc1cc(C)ccc1OC(F)F FC(F)[*:1] CC[NH+](Cc1ccccn1)Cc1cc(C)ccc1O[*:1]
CC[NH+](Cc1ccccn1)Cc1cc(C)ccc1OC(F)F c1ccc(nc1)[*:1] CC[NH+](Cc1cc(C)ccc1OC(F)F)C[*:1]
O=C([O-])C[C@H]1Sc2nc(-c3ccccc3)cn2N=C1c1cccs1 c1ccc(cc1)[*:1] O=C([O-])C[C@H]1Sc2nc(cn2N=C1c1cccs1)[*:1]
O=C([O-])C[C@H]1Sc2nc(-c3ccccc3)cn2N=C1c1cccs1 O=C([O-])C[*:1] c1ccc(cc1)-c1cn2N=C(c3cccs3)[C@H](Sc2n1)[*:1]
O=C([O-])C[C@H]1Sc2nc(-c3ccccc3)cn2N=C1c1cccs1 c1csc(c1)[*:1] O=C([O-])C[C@H]1Sc2nc(cn2N=C1[*:1])-c1ccccc1
O=C([O-])C[C@H]1Sc2nc(-c3ccccc3)cn2N=C1c1cccs1 O=C([O-])[*:1] c1ccc(cc1)-c1cn2N=C(c3cccs3)[C@@H](C[*:1])Sc2n1
Cc1cccc(OCC(=O)NNC(=O)N[C@@H](C)c2ccc(Cl)s2)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)NNC(=O)CO[*:1])c1ccc(Cl)s1
Cc1cccc(OCC(=O)NNC(=O)N[C@@H](C)c2ccc(Cl)s2)c1 Cc1cccc(c1)O[*:1] C[C@H](NC(=O)NNC(=O)C[*:1])c1ccc(Cl)s1
Cc1cccc(OCC(=O)NNC(=O)N[C@@H](C)c2ccc(Cl)s2)c1 Clc1ccc(s1)[*:1] Cc1cccc(c1)OCC(=O)NNC(=O)N[C@@H](C)[*:1]
COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(Cl)cc2Cl)c1 Clc1ccc(c(Cl)c1)[*:1] COc1cccc(c1)NC(=O)C(=O)NN=C[*:1]
COc1cccc(NC(=O)C(=O)N/N=C\c2ccc(Cl)cc2Cl)c1 COc1cccc(c1)[*:1] O=C(N/N=C\c1ccc(Cl)cc1Cl)C(=O)N[*:1]
CCn1nccc1-c1cc(C(=O)OC)n2nc(C)c(Cl)c2n1 COC(=O)[*:1] CCn1nccc1-c1cc(n2nc(C)c(Cl)c2n1)[*:1]
CCn1nccc1-c1cc(C(=O)OC)n2nc(C)c(Cl)c2n1 CCn1nccc1[*:1] COC(=O)c1cc(nc2c(Cl)c(C)nn12)[*:1]
C[C@@]1(c2c(F)cccc2F)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] C[C@]1(NC(=O)N(Cc2csc(c2)[*:1])C1=O)c1c(F)cccc1F
C[C@@]1(c2c(F)cccc2F)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O O=[N+]([O-])c1cc(cs1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1c(F)cccc1F
C[C@@]1(c2c(F)cccc2F)NC(=O)N(Cc2csc([N+](=O)[O-])c2)C1=O Fc1cccc(F)c1[*:1] C[C@]1(NC(=O)N(Cc2csc(c2)[N+](=O)[O-])C1=O)[*:1]
CN(C)c1ncccc1N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 CN(C)[*:1] CN(C(=O)CSc1ccc(cc1)[N+](=O)[O-])c1cccnc1[*:1]
CN(C)c1ncccc1N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(C)c1ncccc1N(C)C(=O)CSc1ccc(cc1)[*:1]
CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 CC(=O)[*:1] C[C@@H](Oc1cccc(c1)[*:1])C(=O)N[C@@H]1CCCc2ccccc21
CCONC(=O)c1ccccc1N1CCCC1=O O=C1CCCN1[*:1] CCONC(=O)c1ccccc1[*:1]
CCONC(=O)c1ccccc1N1CCCC1=O CCONC(=O)[*:1] O=C1CCCN1c1ccccc1[*:1]
CCc1[nH+]c(C)nc(N2CCC[C@H](C(=O)[O-])C2)c1C O=C([O-])[*:1] CCc1[nH+]c(C)nc(c1C)N1CCC[C@H](C1)[*:1]
COCCNCc1[nH+]ccn1C[C@H]1Cc2ccccc2S1 COCC[*:1] c1ccc2S[C@H](Cc2c1)Cn1cc[nH+]c1CN[*:1]
COCCNCc1[nH+]ccn1C[C@H]1Cc2ccccc2S1 COC[*:1] c1ccc2S[C@H](Cc2c1)Cn1cc[nH+]c1CNC[*:1]
COCCNCc1[nH+]ccn1C[C@H]1Cc2ccccc2S1 COCCN[*:1] c1ccc2S[C@H](Cc2c1)Cn1cc[nH+]c1C[*:1]
COCCNCc1[nH+]ccn1C[C@H]1Cc2ccccc2S1 COCCNC[*:1] c1ccc2S[C@H](Cc2c1)Cn1cc[nH+]c1[*:1]
COc1ccc2cc([C@H](C)C(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)ccc2c1 C1CO[C@@H](C1)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc2cc([C@H](C)C(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)ccc2c1 C1CO[C@@H](C1)C[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC1=C2C(=O)N=C(SC/C=C/c3ccccc3)N=C2S[C@H]1C c1ccc(cc1)[*:1] CC1=C2C(=O)N=C(N=C2S[C@H]1C)SCC=C[*:1]
CCN(Cc1ccccn1)C(=O)[C@H]1CCC[C@H](C)C1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)[C@H]1CCC[C@H](C)C1
CCNC(=O)C[C@@H](C[NH3+])Nc1cccc(Br)c1 CCNC(=O)[*:1] [NH3+]C[C@H](C[*:1])Nc1cccc(Br)c1
O=C(CCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccs1 c1csc(c1)[*:1] O=C(CCC(=O)[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
O=C(CCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccs1 O=C(c1cccs1)[*:1] O=C(CC[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
O=C(CCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccs1 O=C(CC[*:1])c1cccs1 O=C(N1CCC(CC1)n1c(=O)[nH]c2ccccc21)[*:1]
O=C(CCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccs1 O=C(C[*:1])c1cccs1 O=C(C[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
CC(C)Cn1c(=O)c(-c2ccc(C(=O)N3CCC[NH+](C)CC3)cc2)nc2ccccc21 CC(C)C[*:1] C[NH+]1CCCN(CC1)C(=O)c1ccc(cc1)-c1nc2ccccc2n(c1=O)[*:1]
CC(C)Cn1c(=O)c(-c2ccc(C(=O)N3CCC[NH+](C)CC3)cc2)nc2ccccc21 CC(C)[*:1] C[NH+]1CCCN(CC1)C(=O)c1ccc(cc1)-c1nc2ccccc2n(C[*:1])c1=O
O=C(Nc1cccc(F)c1)Nc1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1 c1cc2OCOc2cc1[*:1] O=C(Nc1cccc(F)c1)Nc1cccc(c1)-c1nnc(C[*:1])o1
O=C(Nc1cccc(F)c1)Nc1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1 Fc1cccc(c1)[*:1] O=C(Nc1cccc(c1)-c1nnc(Cc2ccc3OCOc3c2)o1)N[*:1]
O=C(Nc1cccc(F)c1)Nc1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1 c1cc2OCOc2cc1C[*:1] O=C(Nc1cccc(F)c1)Nc1cccc(c1)-c1nnc(o1)[*:1]
CNC(=O)c1ccc(N[C@@](C)(CO)C2CC2)[nH+]n1 CNC(=O)[*:1] C[C@@](CO)(Nc1ccc(n[nH+]1)[*:1])C1CC1
CNC(=O)c1ccc(N[C@@](C)(CO)C2CC2)[nH+]n1 C1CC1[*:1] CNC(=O)c1ccc(N[C@@](C)(CO)[*:1])[nH+]n1
COCC[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 COCC[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 COCC[C@@H](C)[*:1] CC(=O)c1ccc(cc1)NC(=O)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 CC(=O)[*:1] COCC[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 COC[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](C)C[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1 O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccccc1)[*:1]
COc1cc(C)cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c1O CC(C)O[*:1] COc1cc(C)cc(C(=O)Nc2cc(C#N)ccc2[*:1])c1O
COc1cc(C)cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c1O CC(C)[*:1] COc1cc(C)cc(C(=O)Nc2cc(C#N)ccc2O[*:1])c1O
CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1 CC(C)=CC(=O)NC[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)c1ccc(cc1)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1 CC(C)=C[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)c1ccc(cc1)CNC(=O)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1 CC(C)=CC(=O)N[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)c1ccc(cc1)C[*:1]
CCCn1c(C)nnc1S[C@H](C)c1ccc(F)c(F)c1 CCC[*:1] Cc1nnc(S[C@H](C)c2ccc(F)c(F)c2)n1[*:1]
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)cc1OC COc1ccc(cc1OC)[*:1] Cc1[nH]c2ccccc2c1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)cc1OC Cc1[nH]c2ccccc2c1[*:1] COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1cccc2cc(C(=O)NC[C@H](C)C(=O)[O-])oc12 O=C([O-])[*:1] Cc1cccc2cc(oc12)C(=O)NC[C@H](C)[*:1]
COCCN(Cc1cccnc1)C(=O)[C@H]1Cc2ccccc2S1 c1cncc(c1)C[*:1] COCCN(C(=O)[C@H]1Cc2ccccc2S1)[*:1]
COCCN(Cc1cccnc1)C(=O)[C@H]1Cc2ccccc2S1 COCC[*:1] O=C([C@H]1Cc2ccccc2S1)N(Cc1cccnc1)[*:1]
COCCN(Cc1cccnc1)C(=O)[C@H]1Cc2ccccc2S1 c1cncc(c1)[*:1] COCCN(C[*:1])C(=O)[C@H]1Cc2ccccc2S1
COCCN(Cc1cccnc1)C(=O)[C@H]1Cc2ccccc2S1 COC[*:1] O=C([C@H]1Cc2ccccc2S1)N(Cc1cccnc1)C[*:1]
COc1cc(Cl)ccc1C(=O)NNC(=O)CC1CCC1 C1CC(C1)C[*:1] COc1cc(Cl)ccc1C(=O)NNC(=O)[*:1]
COc1cc(Cl)ccc1C(=O)NNC(=O)CC1CCC1 C1CC(C1)[*:1] COc1cc(Cl)ccc1C(=O)NNC(=O)C[*:1]
O=S(=O)(Cc1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 c1coc(c1)[*:1] O=S(=O)(Cc1ccc(Cl)cc1)NC[C@@H](N1CCc2ccccc2C1)[*:1]
O=S(=O)(Cc1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 Clc1ccc(cc1)[*:1] O=S(=O)(C[*:1])NC[C@@H](c1ccco1)N1CCc2ccccc2C1
O=S(=O)(Cc1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 Clc1ccc(cc1)C[*:1] O=S(=O)(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)[*:1]
CC(=O)OC1CC[NH+](CC(C)(C)C)CC1 CC(C)(C)[*:1] CC(=O)OC1CC[NH+](CC1)C[*:1]
CC(=O)OC1CC[NH+](CC(C)(C)C)CC1 CC(C)(C)C[*:1] CC(=O)OC1CC[NH+](CC1)[*:1]
CC(=O)OC1CC[NH+](CC(C)(C)C)CC1 CC(=O)O[*:1] CC(C)(C)C[NH+]1CCC(CC1)[*:1]
O=C(/N=C(/[N-]Cc1ccncc1)Nc1ccccc1F)c1cccc(F)c1 c1cc(ccn1)C[*:1] O=C(/N=C(/[N-][*:1])Nc1ccccc1F)c1cccc(F)c1
O=C(/N=C(/[N-]Cc1ccncc1)Nc1ccccc1F)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(/N=C(/[N-]Cc1ccncc1)Nc1ccccc1F)[*:1]
O=C(/N=C(/[N-]Cc1ccncc1)Nc1ccccc1F)c1cccc(F)c1 Fc1ccccc1[*:1] O=C(/N=C(/[N-]Cc1ccncc1)N[*:1])c1cccc(F)c1
O=C(/N=C(/[N-]Cc1ccncc1)Nc1ccccc1F)c1cccc(F)c1 c1cc(ccn1)[*:1] O=C(/N=C(/[N-]C[*:1])Nc1ccccc1F)c1cccc(F)c1
Clc1cc(Cl)c2c(c1)[C@H](NCCc1nc[nH]n1)CC2 c1nc(C[*:1])n[nH]1 Clc1cc(Cl)c2CC[C@@H](NC[*:1])c2c1
Clc1cc(Cl)c2c(c1)[C@H](NCCc1nc[nH]n1)CC2 c1nc(n[nH]1)[*:1] Clc1cc(Cl)c2CC[C@@H](NCC[*:1])c2c1
CC(C)N1C[C@H](c2nc(-c3cc4ccccc4s3)c[nH]2)CC1=O CC(C)[*:1] O=C1C[C@H](CN1[*:1])c1nc(c[nH]1)-c1cc2ccccc2s1
Cc1cc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2C[C@@H]2CCCO2)no1 C1CO[C@@H](C1)[*:1] Cc1cc(no1)NC(=O)[C@@H](C)Sc1nc(C)c(C)n1C[*:1]
Cc1cc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2C[C@@H]2CCCO2)no1 Cc1cc(no1)[*:1] Cc1nc(S[C@H](C)C(=O)N[*:1])n(C[C@@H]2CCCO2)c1C
Cc1cc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2C[C@@H]2CCCO2)no1 C1CO[C@@H](C1)C[*:1] Cc1cc(no1)NC(=O)[C@@H](C)Sc1nc(C)c(C)n1[*:1]
CN(C)/C(=N/OC(=O)c1ccccc1)c1nonc1N Nc1nonc1[*:1] CN(C)/C(=N/OC(=O)c1ccccc1)[*:1]
CN(C)/C(=N/OC(=O)c1ccccc1)c1nonc1N c1ccc(cc1)[*:1] CN(C)/C(=N/OC(=O)[*:1])c1nonc1N
Cc1cccc(-n2c([O-])nc3nc(NCc4ccc5c(c4)OCO5)ncc3c2=O)c1C Cc1cccc(c1C)[*:1] O=c1c2cnc(nc2nc([O-])n1[*:1])NCc1ccc2OCOc2c1
Cc1cccc(-n2c([O-])nc3nc(NCc4ccc5c(c4)OCO5)ncc3c2=O)c1C c1cc2OCOc2cc1[*:1] Cc1cccc(c1C)-n1c([O-])nc2nc(ncc2c1=O)NC[*:1]
Cc1cccc(-n2c([O-])nc3nc(NCc4ccc5c(c4)OCO5)ncc3c2=O)c1C c1cc2OCOc2cc1C[*:1] Cc1cccc(c1C)-n1c([O-])nc2nc(ncc2c1=O)N[*:1]
Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1ncn(C)n1 Cn1cnc(C[*:1])n1 Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[*:1]
Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[*:1]
Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1ncn(C)n1 Cc1nnnn1[*:1] Cn1cnc(CNC(=O)[C@@H](Cc2ccccc2)[*:1])n1
Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1ncn(C)n1 c1ccc(cc1)[*:1] Cc1nnnn1[C@H](C[*:1])C(=O)NCc1ncn(C)n1
Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1ncn(C)n1 c1ccc(cc1)C[*:1] Cc1nnnn1[C@H](C(=O)NCc1ncn(C)n1)[*:1]
COc1cccc(OCC(=O)NC[C@]2(O)CCc3ccccc32)c1 COc1cccc(c1)[*:1] O=C(CO[*:1])NC[C@]1(O)CCc2ccccc21
CC(C)(C)SCC(=O)NC1(CC(=O)[O-])CCC1 CC(C)(C)[*:1] O=C([O-])CC1(CCC1)NC(=O)CS[*:1]
CC(C)(C)SCC(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])[*:1] CC(C)(C)SCC(=O)NC1(CCC1)C[*:1]
CC(C)(C)SCC(=O)NC1(CC(=O)[O-])CCC1 CC(C)(C)S[*:1] O=C([O-])CC1(CCC1)NC(=O)C[*:1]
CC(C)(C)SCC(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])C[*:1] CC(C)(C)SCC(=O)NC1(CCC1)[*:1]
O=C(c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 c1ccc(cc1)C[*:1] O=C(c1cn(nc1-c1ccc(Cl)cc1)[*:1])N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
O=C(c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 c1ccc(cc1)[*:1] O=C(c1cn(C[*:1])nc1-c1ccc(Cl)cc1)N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
O=C(c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 Clc1ccc(cc1)[*:1] O=C(c1cn(Cc2ccccc2)nc1[*:1])N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
O=C(Nc1nc2c(Br)cccc2s1)C1CC1 C1CC1[*:1] O=C(Nc1nc2c(Br)cccc2s1)[*:1]
C[C@]12CCCC(=O)[C@H]1[C@@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 c1ccc(cc1)[*:1] C[C@]12CCCC(=O)[C@H]1[C@@H]([NH2+][C@@H]2c1ccccc1)[*:1]
C[C@]12CCCC(=O)[C@H]1[C@@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 c1ccc(cc1)[*:1] C[C@]12CCCC(=O)[C@H]1[C@H]([NH2+][C@H]2[*:1])c1ccccc1
Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N(C)C[*:1]
Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 C1CC1[*:1] Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N(C)CC(=O)N[*:1]
Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 Cc1ccccc1[*:1] C[C@H](Sc1nncn1[*:1])C(=O)N(C)CC(=O)NC1CC1
Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 O=C(C[*:1])NC1CC1 Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N(C)[*:1]
CC(C)(CNC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 CC(C)(c1ccccc1)[*:1] O=C(NCc1ccc[nH+]c1N1CCOCC1)NC[*:1]
CC(C)(CNC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)NCc1ccc[nH+]c1[*:1])c1ccccc1
CC(C)(CNC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)NCc1ccc[nH+]c1N1CCOCC1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)CSCCc2ccccc2)C1 c1ccc(cc1)C[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)CSC[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)CSCCc2ccccc2)C1 c1ccc(cc1)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)CSCC[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)CSCCc2ccccc2)C1 CC(=O)N[*:1] O=C(CSCCc1ccccc1)N1CCC[C@H](C1)[*:1]
Cc1cccc(-c2cc(C(=O)[O-])ccn2)c1 O=C([O-])[*:1] Cc1cccc(c1)-c1cc(ccn1)[*:1]
CCC[C@@]1(C)NC(=O)N(CC(=O)c2ccc(CC)cc2)C1=O CCC[*:1] CCc1ccc(cc1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1 CC[C@@H](C)[*:1] O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(cc1)[*:1]
Cc1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)ccc1F c1ccc(nc1)[*:1] Cc1cc(ccc1F)CNC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)ccc1F Cc1cc(ccc1F)[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(Cc2ccccn2)C1
Cc1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)ccc1F c1ccc(C[*:1])nc1 Cc1cc(ccc1F)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC[C@H](C)CN(C)C(=O)c1csc(C#CCN)c1 CC[C@H](C)[*:1] CN(C[*:1])C(=O)c1csc(C#CCN)c1
CC[C@H](C)CN(C)C(=O)c1csc(C#CCN)c1 CC[C@H](C)C[*:1] CN(C(=O)c1csc(C#CCN)c1)[*:1]
CC[C@H](C)CN(C)C(=O)c1csc(C#CCN)c1 NCC#C[*:1] CC[C@H](C)CN(C)C(=O)c1csc(c1)[*:1]
COCC(=O)N[C@H](C(=O)Nc1ccc(-c2nc(C)n[nH]2)cc1)C(C)C CC(C)[*:1] COCC(=O)N[C@H](C(=O)Nc1ccc(cc1)-c1nc(C)n[nH]1)[*:1]
COCC(=O)N[C@H](C(=O)Nc1ccc(-c2nc(C)n[nH]2)cc1)C(C)C COCC(=O)N[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NC(=O)[C@H](C(C)C)[*:1]
COCC(=O)N[C@H](C(=O)Nc1ccc(-c2nc(C)n[nH]2)cc1)C(C)C COC[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NC(=O)[C@@H](NC(=O)[*:1])C(C)C
COCC(=O)N[C@H](C(=O)Nc1ccc(-c2nc(C)n[nH]2)cc1)C(C)C Cc1n[nH]c(n1)[*:1] COCC(=O)N[C@H](C(=O)Nc1ccc(cc1)[*:1])C(C)C
COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC3)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N1CCC1
COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC3)ccc2C)cc1 O=C(N1CCC1)[*:1] COc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)[*:1]
COc1cc2nc(NC(=O)Cc3ccc(F)cc3)sc2cc1OC Fc1ccc(cc1)[*:1] COc1cc2nc(NC(=O)C[*:1])sc2cc1OC
COc1cc2nc(NC(=O)Cc3ccc(F)cc3)sc2cc1OC Fc1ccc(cc1)C[*:1] COc1cc2nc(NC(=O)[*:1])sc2cc1OC
CC[C@H](Oc1ccccc1C)C(=O)NCC#N N#CC[*:1] CC[C@H](Oc1ccccc1C)C(=O)N[*:1]
O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1cc(-c2cccs2)n[nH]1 c1csc(c1)-c1cc([nH]n1)[*:1] O=C(Nc1cccc(c1)CCc1nc2ccccc2[nH]1)[*:1]
O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1cc(-c2cccs2)n[nH]1 c1ccc2[nH]c(C[*:1])nc2c1 O=C(Nc1cccc(c1)C[*:1])c1cc(n[nH]1)-c1cccs1
O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1cc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)CCc1nc2ccccc2[nH]1)c1cc(n[nH]1)[*:1]
O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1cc(-c2cccs2)n[nH]1 c1ccc2[nH]c(nc2c1)[*:1] O=C(Nc1cccc(c1)CC[*:1])c1cc(n[nH]1)-c1cccs1
COc1c[nH]c(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)cc1=O C1CC1[*:1] COc1c[nH]c(cc1=O)C(=O)N1CCC[C@](CO)(C1)C[*:1]
COc1c[nH]c(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)cc1=O C1CC1C[*:1] COc1c[nH]c(cc1=O)C(=O)N1CCC[C@@](CO)(C1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)C(C)(C)O[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H](O)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)O[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)C(C)(C)[*:1]
Cc1ccc([C@@H](CNC(=O)Nc2ccnn2C(C)C)N2CCOCC2)o1 CC(C)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)Nc1ccnn1[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)Nc2ccnn2C(C)C)N2CCOCC2)o1 Cc1ccc(o1)[*:1] CC(C)n1nccc1NC(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1ccc([C@@H](CNC(=O)Nc2ccnn2C(C)C)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)Nc1ccnn1C(C)C)[*:1]
Cc1ccc([C@@H](CNC(=O)Nc2ccnn2C(C)C)N2CCOCC2)o1 CC(C)n1nccc1[*:1] Cc1ccc(o1)[C@@H](CNC(=O)N[*:1])N1CCOCC1
O=C([O-])c1cc(-c2ccccc2C(=O)[O-])cc(S(=O)(=O)N2CCSCC2)c1 O=C([O-])[*:1] O=C([O-])c1cc(cc(c1)S(=O)(=O)N1CCSCC1)-c1ccccc1[*:1]
O=C([O-])c1cc(-c2ccccc2C(=O)[O-])cc(S(=O)(=O)N2CCSCC2)c1 O=C([O-])c1ccccc1[*:1] O=C([O-])c1cc(cc(c1)[*:1])S(=O)(=O)N1CCSCC1
O=C([O-])c1cc(-c2ccccc2C(=O)[O-])cc(S(=O)(=O)N2CCSCC2)c1 O=C([O-])[*:1] O=C([O-])c1ccccc1-c1cc(cc(c1)[*:1])S(=O)(=O)N1CCSCC1
O=C([O-])c1cc(-c2ccccc2C(=O)[O-])cc(S(=O)(=O)N2CCSCC2)c1 O=S(=O)(N1CCSCC1)[*:1] O=C([O-])c1cc(cc(c1)[*:1])-c1ccccc1C(=O)[O-]
CCOC(=O)c1c(NC(=O)c2nc3n(n2)[C@@H](C(F)F)C[C@H](C)N3)sc2c1CC[C@H](C)C2 FC(F)[*:1] CCOC(=O)c1c(NC(=O)c2nc3N[C@@H](C)C[C@H](n3n2)[*:1])sc2C[C@@H](C)CCc21
CCOC(=O)c1c(NC(=O)c2nc3n(n2)[C@@H](C(F)F)C[C@H](C)N3)sc2c1CC[C@H](C)C2 CCOC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1nc3N[C@@H](C)C[C@H](C(F)F)n3n1)c2[*:1]
Cc1ccc(C)c(C[S@](=O)[C@H](C)C(=O)Nc2ccc(C)c(F)c2)c1 Cc1ccc(cc1F)[*:1] Cc1ccc(C)c(c1)C[S@](=O)[C@H](C)C(=O)N[*:1]
Cc1ccc(C)c(C[S@](=O)[C@H](C)C(=O)Nc2ccc(C)c(F)c2)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1F)NC(=O)[C@@H](C)[S@@](=O)C[*:1]
COc1nc(OC)nc(S(=O)(=O)[C@H](C)CCCl)n1 ClCC[*:1] COc1nc(nc(n1)S(=O)(=O)[C@H](C)[*:1])OC
C[C@H](NC(=O)N[C@@H](C)c1nncn1C)c1ccc2c(c1)OCCO2 Cn1cnnc1[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])c1ccc2OCCOc2c1
C[C@H](NC(=O)N[C@@H](C)c1nncn1C)c1ccc2c(c1)OCCO2 C[C@@H](c1nncn1C)[*:1] C[C@H](NC(=O)N[*:1])c1ccc2OCCOc2c1
C[C@@H](CCCl)S(=O)(=O)c1nc2ccccc2cc1C#N ClCC[*:1] C[C@@H](S(=O)(=O)c1nc2ccccc2cc1C#N)[*:1]
CN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1c(F)cccc1Br C1C[C@H](CO1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1c(F)cccc1Br
CCc1nnc(SCC(=O)NCc2ccco2)n1-c1ccccc1 c1coc(c1)[*:1] CCc1nnc(SCC(=O)NC[*:1])n1-c1ccccc1
CCc1nnc(SCC(=O)NCc2ccco2)n1-c1ccccc1 c1coc(c1)C[*:1] CCc1nnc(SCC(=O)N[*:1])n1-c1ccccc1
CCc1nnc(SCC(=O)NCc2ccco2)n1-c1ccccc1 c1ccc(cc1)[*:1] CCc1nnc(SCC(=O)NCc2ccco2)n1[*:1]
CN(Cc1ccncc1)C(=O)C1(c2ccc(F)cc2F)CCCC1 c1cc(ccn1)[*:1] CN(C[*:1])C(=O)C1(CCCC1)c1ccc(F)cc1F
CN(Cc1ccncc1)C(=O)C1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] CN(Cc1ccncc1)C(=O)C1(CCCC1)[*:1]
CN(Cc1ccncc1)C(=O)C1(c2ccc(F)cc2F)CCCC1 c1cc(ccn1)C[*:1] CN(C(=O)C1(CCCC1)c1ccc(F)cc1F)[*:1]
CCOc1c(Cl)cc(C(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)cc1Cl Fc1ccccc1C[*:1] CCOc1c(Cl)cc(cc1Cl)C(=O)N(C[C@@H]1CCCO1)[*:1]
CCOc1c(Cl)cc(C(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)cc1Cl Fc1ccccc1[*:1] CCOc1c(Cl)cc(cc1Cl)C(=O)N(C[C@@H]1CCCO1)C[*:1]
CCOc1c(Cl)cc(C(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)cc1Cl CCO[*:1] O=C(c1cc(Cl)c(c(Cl)c1)[*:1])N(Cc1ccccc1F)C[C@@H]1CCCO1
CCOCC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 CCOC[*:1] O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)[*:1]
CCOCC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 C1CN(CCO1)[*:1] CCOCC(=O)NC[C@@H]([C@@H]1CCOC1)[*:1]
CCOCC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 CCO[*:1] O=C(C[*:1])NC[C@@H]([C@@H]1CCOC1)N1CCOCC1
CCOCC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 C1C[C@H](CO1)[*:1] CCOCC(=O)NC[C@@H](N1CCOCC1)[*:1]
CCC[C@H](CC(=O)OC)/[NH+]=C/c1ccccc1O CCC[*:1] COC(=O)C[C@H](/[NH+]=C/c1ccccc1O)[*:1]
CCC[C@H](CC(=O)OC)/[NH+]=C/c1ccccc1O COC(=O)[*:1] CCC[C@H](C[*:1])/[NH+]=C/c1ccccc1O
CCC[C@H](CC(=O)OC)/[NH+]=C/c1ccccc1O COC(=O)C[*:1] CCC[C@H](/[NH+]=C/c1ccccc1O)[*:1]
CSCC(=O)NNC(=O)c1c(C)oc(C)c1C CSC[*:1] Cc1oc(C)c(C(=O)NNC(=O)[*:1])c1C
COC(=O)/C=C/C(=O)Nc1ccc(S(N)(=O)=O)cc1 COC(=O)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)C=C[*:1]
COC(=O)/C=C/C(=O)Nc1ccc(S(N)(=O)=O)cc1 COC(=O)C=C[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COC(=O)/C=C/C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] COC(=O)/C=C/C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)[C@@H](C(=O)OCc1cc(=O)n(C)c(=O)n1C)N1C(=O)c2ccccc2C1=O CC[C@H](C)[*:1] Cn1c(cc(=O)n(C)c1=O)COC(=O)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC[C@H](C)[C@@H](C(=O)OCc1cc(=O)n(C)c(=O)n1C)N1C(=O)c2ccccc2C1=O Cn1c(cc(=O)n(C)c1=O)[*:1] CC[C@H](C)[C@@H](C(=O)OC[*:1])N1C(=O)c2ccccc2C1=O
CSCc1cc(F)ccc1CNc1nccn(CC(C)C)c1=O CSC[*:1] CC(C)Cn1ccnc(NCc2ccc(F)cc2[*:1])c1=O
CSCc1cc(F)ccc1CNc1nccn(CC(C)C)c1=O CC(C)[*:1] CSCc1cc(F)ccc1CNc1nccn(C[*:1])c1=O
CSCc1cc(F)ccc1CNc1nccn(CC(C)C)c1=O CC(C)C[*:1] CSCc1cc(F)ccc1CNc1nccn(c1=O)[*:1]
O=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 Clc1ccccc1C=C[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)NC(=O)C1CC1
O=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccc(cc1)[*:1]
O=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] O=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 Clc1ccccc1[*:1] O=C(C=C[*:1])NNC(=O)c1ccc(cc1)NC(=O)C1CC1
CS(=O)(=O)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
C[C@H](CCCO)[NH2+][C@H](C)c1ccc(F)c(Br)c1 OCCC[*:1] C[C@@H]([NH2+][C@@H](C)[*:1])c1ccc(F)c(Br)c1
C[C@H](CCCO)[NH2+][C@H](C)c1ccc(F)c(Br)c1 OCC[*:1] C[C@H](C[*:1])[NH2+][C@H](C)c1ccc(F)c(Br)c1
O=C(Nc1ncccn1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 O=C(Nc1ncccn1)[*:1] Clc1ccc(cc1Cl)-c1cc(c2ccccc2n1)[*:1]
O=C(Nc1ncccn1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 c1cnc(nc1)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccc(Cl)c(Cl)c1
O=C(Nc1ncccn1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 Clc1ccc(cc1Cl)[*:1] O=C(Nc1ncccn1)c1cc(nc2ccccc12)[*:1]
O=C(c1cc(Cl)ccc1Cl)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 Clc1ccc(Cl)c(c1)[*:1] O=C1[C@@H]2CCCCN2C(=O)c2ccccc2N1C(=O)[*:1]
Cc1ccc(CN(C)C(=O)c2c[nH]nc2-c2ccccc2)s1 Cc1ccc(C[*:1])s1 CN(C(=O)c1c[nH]nc1-c1ccccc1)[*:1]
Cc1ccc(CN(C)C(=O)c2c[nH]nc2-c2ccccc2)s1 Cc1ccc(s1)[*:1] CN(C[*:1])C(=O)c1c[nH]nc1-c1ccccc1
Cc1ccc(CN(C)C(=O)c2c[nH]nc2-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(CN(C)C(=O)c2c[nH]nc2[*:1])s1
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@H]2CCCO2)c1 COc1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1[*:1])c1ccccc1
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1C[*:1]
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] COc1cccc(c1)[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@H]2CCCO2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C[C@H]1CCCO1
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@H]2CCCO2)c1 O=C(c1ccccc1)[*:1] COc1cccc(c1)[C@H]1C(=C([O-])C(=O)N1C[C@H]1CCCO1)[*:1]
CC(C)NC(=O)c1csc(COc2ccc(F)cc2)n1 CC(C)[*:1] O=C(N[*:1])c1csc(COc2ccc(F)cc2)n1
CC(C)NC(=O)c1csc(COc2ccc(F)cc2)n1 CC(C)NC(=O)[*:1] Fc1ccc(cc1)OCc1nc(cs1)[*:1]
O=S(=O)(Oc1ccc(F)cc1F)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=S(=O)(Oc1ccc(F)cc1F)[*:1]
CCN(C1CC[NH+](Cc2cc(-c3ccccc3)[nH]n2)CC1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] c1ccc(cc1)-c1cc(C[NH+]2CCC(CC2)[*:1])n[nH]1
CCN(C1CC[NH+](Cc2cc(-c3ccccc3)[nH]n2)CC1)S(C)(=O)=O c1ccc(cc1)[*:1] CCN(C1CC[NH+](CC1)Cc1cc([nH]n1)[*:1])S(C)(=O)=O
C[C@H]1CC(C(=O)NCc2ccnc(OC3CCC3)c2)C[C@H](C)O1 C1CC(C1)O[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1ccnc(c1)[*:1]
C[C@H]1CC(C(=O)NCc2ccnc(OC3CCC3)c2)C[C@H](C)O1 C1CC(C1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1ccnc(c1)O[*:1]
O=c1c([N+](=O)[O-])c(N2CCC[C@H]2Cc2ccccc2)nc2ccccn12 c1ccc(cc1)C[*:1] O=c1c(c(nc2ccccn12)N1CCC[C@@H]1[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(N2CCC[C@H]2Cc2ccccc2)nc2ccccn12 c1ccc(cc1)[*:1] O=c1c(c(nc2ccccn12)N1CCC[C@H]1C[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(N2CCC[C@H]2Cc2ccccc2)nc2ccccn12 O=[N+]([O-])[*:1] O=c1c(c(nc2ccccn12)N1CCC[C@H]1Cc1ccccc1)[*:1]
O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)N[*:1]
O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccco1 c1coc(c1)[*:1] O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NC[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 CS(=O)(=O)[*:1] O=C(N[C@H]1CCC[C@@H](C1)[*:1])c1ccc(cc1)C(F)(F)F
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 FC(F)(F)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)c1ccc(cc1)[*:1]
CC(C)=C[C@@H]1[C@@H](C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1(C)C C1CC1[*:1] CC(C)=C[C@@H]1[C@@H](C(=O)NC2CCN(CC2)S(=O)(=O)[*:1])C1(C)C
CC(C)=C[C@@H]1[C@@H](C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1(C)C CC(C)=C[*:1] CC1(C)[C@H](C(=O)NC2CCN(CC2)S(=O)(=O)C2CC2)[C@H]1[*:1]
CC(C)COc1ccc(NC(=O)[C@@H]2CCCN2C(N)=O)cc1Cl CC(C)C[*:1] NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(O[*:1])c(Cl)c1
CC(C)COc1ccc(NC(=O)[C@@H]2CCCN2C(N)=O)cc1Cl CC(C)CO[*:1] NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(C)COc1ccc(NC(=O)[C@@H]2CCCN2C(N)=O)cc1Cl CC(C)[*:1] NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC[*:1])c(Cl)c1
O=C(c1cccc(Cl)c1)N(CCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 C1CN(CCO1)[*:1] O=C(c1cccc(Cl)c1)N(CC[*:1])c1nc2c(F)cc(F)cc2s1
O=C(c1cccc(Cl)c1)N(CCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 C1CN(CCO1)CC[*:1] O=C(c1cccc(Cl)c1)N(c1nc2c(F)cc(F)cc2s1)[*:1]
O=C(c1cccc(Cl)c1)N(CCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 Clc1cccc(c1)[*:1] O=C(N(CCN1CCOCC1)c1nc2c(F)cc(F)cc2s1)[*:1]
O=C(c1cccc(Cl)c1)N(CCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 C1CN(CCO1)C[*:1] O=C(c1cccc(Cl)c1)N(C[*:1])c1nc2c(F)cc(F)cc2s1
C[C@@H](CCC[C@@H](C)[NH3+])c1nc([C@]2(C)CCCO2)no1 C[C@@H]([NH3+])CCC[*:1] C[C@@H](c1nc(no1)[C@]1(C)CCCO1)[*:1]
C[C@@H](CCC[C@@H](C)[NH3+])c1nc([C@]2(C)CCCO2)no1 C[C@@H]([NH3+])C[*:1] C[C@@H](CC[*:1])c1nc(no1)[C@]1(C)CCCO1
C[C@@H](CCC[C@@H](C)[NH3+])c1nc([C@]2(C)CCCO2)no1 C[C@@]1(CCCO1)[*:1] C[C@@H](CCC[C@@H](C)[NH3+])c1nc(no1)[*:1]
C[C@@H](CCC[C@@H](C)[NH3+])c1nc([C@]2(C)CCCO2)no1 C[C@@H]([NH3+])CC[*:1] C[C@@H](C[*:1])c1nc(no1)[C@]1(C)CCCO1
CCc1nnsc1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 CCc1nnsc1[*:1] CC1CC[NH+](CC1)Cc1ccc(cc1)CNC(=O)[*:1]
COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1OC COc1ccc(cc1OC)[*:1] Cc1cccc(NC(=O)c2nnn(CC(=O)N[*:1])c2C)c1C
COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1OC Cc1cccc(c1C)[*:1] COc1ccc(cc1OC)NC(=O)Cn1nnc(C(=O)N[*:1])c1C
CCc1ccc([C@H](C)NC(=O)CSc2nnc(-n3nc(C)cc3C)n2N)cc1 Cc1cc(C)n(n1)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)CSc1nnc(n1N)[*:1]
CCc1ccc([C@H](C)NC(=O)CSc2nnc(-n3nc(C)cc3C)n2N)cc1 CCc1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1nnc(SCC(=O)N[C@@H](C)[*:1])n1N
CCOc1cc(C(=O)Nc2ccccc2N2CCOCC2)ccc1OC C1CN(CCO1)[*:1] CCOc1cc(ccc1OC)C(=O)Nc1ccccc1[*:1]
CCOc1cc(C(=O)Nc2ccccc2N2CCOCC2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccccc1N1CCOCC1
Cc1cccc(-c2[nH]ncc2CNc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c1 Cc1cccc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1NCc1cn[nH]c1[*:1]
C[C@H](NC[C@H](c1cnn(C)c1)[NH+](C)C)c1nccs1 Cn1cc(cn1)[*:1] C[C@H](NC[C@H]([NH+](C)C)[*:1])c1nccs1
C[C@H](NC[C@H](c1cnn(C)c1)[NH+](C)C)c1nccs1 c1csc(n1)[*:1] C[C@H](NC[C@H](c1cnn(C)c1)[NH+](C)C)[*:1]
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1CCO O=[N+]([O-])[*:1] O=C(c1cc(Cl)cc(c1)[*:1])N1CCOC[C@@H]1CCO
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1CCO OCC[*:1] O=C(c1cc(Cl)cc(c1)[N+](=O)[O-])N1CCOC[C@H]1[*:1]
CCCOc1cccc([C@@H](O)[C@@]2(C#N)CC[C@H](CC)C2)c1 CCCO[*:1] CC[C@H]1CC[C@@](C#N)(C1)[C@H](O)c1cccc(c1)[*:1]
CCCOc1cccc([C@@H](O)[C@@]2(C#N)CC[C@H](CC)C2)c1 CCC[*:1] CC[C@H]1CC[C@@](C#N)(C1)[C@H](O)c1cccc(c1)O[*:1]
CNC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1 CNC(=O)[*:1] COc1ccccc1-c1noc(n1)-c1ccccc1[*:1]
CN(CCO)C(=O)Nc1ccc(Cl)cc1Cl OCC[*:1] CN(C(=O)Nc1ccc(Cl)cc1Cl)[*:1]
O=C(C1CCN(c2ncccn2)CC1)N1CCCCCC1 c1cnc(nc1)[*:1] O=C(C1CCN(CC1)[*:1])N1CCCCCC1
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N(C)CC[NH+](C)C O=C(N[*:1])C1CC1 Cc1ccc(cc1NC(=O)N(C)CC[NH+](C)C)[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N(C)CC[NH+](C)C C1CC1[*:1] Cc1ccc(cc1NC(=O)N(C)CC[NH+](C)C)NC(=O)[*:1]
O=C(COc1ccccc1Cl)Nc1nn2c(-c3ccccc3)nnc2s1 c1ccc(cc1)[*:1] O=C(COc1ccccc1Cl)Nc1nn2c(nnc2s1)[*:1]
O=C(COc1ccccc1Cl)Nc1nn2c(-c3ccccc3)nnc2s1 Clc1ccccc1[*:1] O=C(CO[*:1])Nc1nn2c(nnc2s1)-c1ccccc1
O=C(COc1ccccc1Cl)Nc1nn2c(-c3ccccc3)nnc2s1 Clc1ccccc1O[*:1] O=C(C[*:1])Nc1nn2c(nnc2s1)-c1ccccc1
COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3C(=O)N2C)cc1 FC(F)(F)c1cccc(c1)[*:1] COc1ccc(cc1)[C@@H]1[C@H](C(=O)N[*:1])c2ccccc2C(=O)N1C
COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3C(=O)N2C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(c2)C(F)(F)F)[C@H]1[*:1]
COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3C(=O)N2C)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@@H]1[C@H](C(=O)Nc2cccc(c2)[*:1])c2ccccc2C(=O)N1C
C#CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(F)ccc21 C#CC[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)/N=c1/sc2cc(F)ccc2n1[*:1]
O=C(Nc1ccccc1C(=O)NCCc1nnc2ccccn12)c1cccs1 c1ccn2c(nnc2c1)[*:1] O=C(Nc1ccccc1C(=O)NCC[*:1])c1cccs1
O=C(Nc1ccccc1C(=O)NCCc1nnc2ccccn12)c1cccs1 O=C(N[*:1])c1cccs1 O=C(NCCc1nnc2ccccn12)c1ccccc1[*:1]
O=C(Nc1ccccc1C(=O)NCCc1nnc2ccccn12)c1cccs1 c1csc(c1)[*:1] O=C(NCCc1nnc2ccccn12)c1ccccc1NC(=O)[*:1]
CC1(C)CO[C@@H](c2ccccc2)CN1Cc1cnc(-c2ccccn2)s1 c1ccc(cc1)[*:1] CC1(C)CO[C@@H](CN1Cc1cnc(s1)-c1ccccn1)[*:1]
CC1(C)CO[C@@H](c2ccccc2)CN1Cc1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] CC1(C)CO[C@H](CN1Cc1cnc(s1)[*:1])c1ccccc1
O=C(NCCSCc1ccco1)NCc1ccc(F)cc1 c1coc(c1)CS[*:1] O=C(NCC[*:1])NCc1ccc(F)cc1
O=C(NCCSCc1ccco1)NCc1ccc(F)cc1 c1coc(c1)[*:1] O=C(NCCSC[*:1])NCc1ccc(F)cc1
O=C(NCCSCc1ccco1)NCc1ccc(F)cc1 c1coc(c1)C[*:1] O=C(NCCS[*:1])NCc1ccc(F)cc1
O=C(NCCSCc1ccco1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCSCc1ccco1)NC[*:1]
CN(Cc1[nH]cc(-c2cccc(Br)c2)[nH+]1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C Brc1cccc(c1)[*:1] CN(Cc1[nH]cc([nH+]1)[*:1])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
COC(=O)c1cccc(N[C@@H]2CCCC[C@@H]2n2cccn2)n1 COC(=O)[*:1] c1cc(nc(c1)[*:1])N[C@@H]1CCCC[C@@H]1n1cccn1
COC(=O)c1cccc(N[C@@H]2CCCC[C@@H]2n2cccn2)n1 c1cnn(c1)[*:1] COC(=O)c1cccc(n1)N[C@@H]1CCCC[C@H]1[*:1]
NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)[C@@]1(CCN(C1)C(=O)CO[*:1])Cc1ccccc1-c1ccncc1
NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)COc2ccccc2)C1 c1cc(ccn1)[*:1] NC(=O)[C@@]1(CCN(C1)C(=O)COc1ccccc1)Cc1ccccc1[*:1]
NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)COc2ccccc2)C1 NC(=O)[*:1] O=C(COc1ccccc1)N1CC[C@@](Cc2ccccc2-c2ccncc2)(C1)[*:1]
NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)O[*:1] NC(=O)[C@@]1(CCN(C1)C(=O)C[*:1])Cc1ccccc1-c1ccncc1
NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)OC[*:1] NC(=O)[C@@]1(CCN(C1)C(=O)[*:1])Cc1ccccc1-c1ccncc1
Cc1cccc(NC(=O)C(=O)NCC[C@@H](O)C(C)(C)C)c1C CC(C)(C)[*:1] Cc1cccc(NC(=O)C(=O)NCC[C@@H](O)[*:1])c1C
CCN(CC)C(=O)/C=C/c1ccc(C(=O)OC)cc1 COC(=O)[*:1] CCN(CC)C(=O)/C=C/c1ccc(cc1)[*:1]
Clc1ccc([C@@H]2C[C@@H](c3cccs3)Nc3nnnn32)cc1 Clc1ccc(cc1)[*:1] c1csc(c1)[C@@H]1C[C@H](n2nnnc2N1)[*:1]
Clc1ccc([C@@H]2C[C@@H](c3cccs3)Nc3nnnn32)cc1 c1csc(c1)[*:1] Clc1ccc(cc1)[C@@H]1C[C@@H](Nc2nnnn21)[*:1]
CCn1nc(C)cc1C[C@H](O)c1cccc(C2CC2)c1 C1CC1[*:1] CCn1nc(C)cc1C[C@H](O)c1cccc(c1)[*:1]
COC(=O)c1ccccc1OC(=O)CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccccc1OC(=O)CC[*:1]
COC(=O)c1ccccc1OC(=O)CCc1ccc(F)cc1 COC(=O)[*:1] O=C(CCc1ccc(F)cc1)Oc1ccccc1[*:1]
CCOc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1OC(F)F CCO[*:1] O=C1/C(=C/c2ccc(OC(F)F)c(c2)[*:1])CS(=O)(=O)c2ccccc21
CCOc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1[*:1]
CCOc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1OC(F)F FC(F)[*:1] CCOc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1O[*:1]
Cc1noc(C)c1CCC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Cc1noc(C)c1C[*:1] O=C(C[*:1])Nc1cccn(Cc2ccc(F)cc2)c1=O
Cc1noc(C)c1CCC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Cc1noc(C)c1CC[*:1] O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)[*:1]
Cc1noc(C)c1CCC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] Cc1noc(C)c1CCC(=O)Nc1cccn(C[*:1])c1=O
Cc1noc(C)c1CCC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Fc1ccc(cc1)C[*:1] Cc1noc(C)c1CCC(=O)Nc1cccn(c1=O)[*:1]
Cc1noc(C)c1CCC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Cc1noc(C)c1[*:1] O=C(CC[*:1])Nc1cccn(Cc2ccc(F)cc2)c1=O
CNC(=O)[C@@H](C)CN(C)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 CNC(=O)[C@@H](C)C[*:1] CN(C(=O)CN1CC[NH+](CC1)Cc1ccccc1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)CN1CC[NH+](CC1)C[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 CNC(=O)[C@@H](C)[*:1] CN(C[*:1])C(=O)CN1CC[NH+](CC1)Cc1ccccc1
CNC(=O)[C@@H](C)CN(C)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 CNC(=O)[*:1] C[C@@H](CN(C)C(=O)CN1CC[NH+](CC1)Cc1ccccc1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)CN1CC[NH+](CC1)[*:1]
COc1ccc(C2(CNC(=O)[C@@H](C)OC)CCCCC2)cc1OC CO[C@H](C)C(=O)NC[*:1] COc1ccc(cc1OC)C1(CCCCC1)[*:1]
CCc1nnsc1C(=O)N1CCCCC[C@H]1CC(C)=O CC(=O)C[*:1] CCc1nnsc1C(=O)N1CCCCC[C@@H]1[*:1]
CCc1nnsc1C(=O)N1CCCCC[C@H]1CC(C)=O CC(=O)[*:1] CCc1nnsc1C(=O)N1CCCCC[C@H]1C[*:1]
CCOc1cccc(CN2CCc3nc(N4CC[NH+](CC)CC4)ncc3C2)c1 CCOc1cccc(c1)[*:1] CC[NH+]1CCN(CC1)c1ncc2CN(CCc2n1)C[*:1]
CCOc1cccc(CN2CCc3nc(N4CC[NH+](CC)CC4)ncc3C2)c1 CCO[*:1] CC[NH+]1CCN(CC1)c1ncc2CN(CCc2n1)Cc1cccc(c1)[*:1]
NNC(=O)C[S@@](=O)Cn1cc(Cl)cn1 NNC(=O)[*:1] O=[S@@](Cn1cc(Cl)cn1)C[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@H](C)OC2CCCCCC2)CC1 CCOC(=O)[*:1] C[C@H](OC1CCCCCC1)C(=O)N1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@H](C)OC2CCCCCC2)CC1 C1CCCC(CC1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[C@H](C)O[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@H](C)OC2CCCCCC2)CC1 C1CCCC(CC1)O[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[C@H](C)[*:1]
Cc1ccc(OCc2nnnn2C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)OCc1nnnn1[*:1]
CC(C)c1[nH+]c2c(n1C)CCN(CCCc1nc3ccccc3o1)C2 CC(C)[*:1] Cn1c([nH+]c2CN(CCCc3nc4ccccc4o3)CCc21)[*:1]
CCOc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 CCO[*:1] O=C1C[C@H](c2ccc(cc2)[*:1])c2cc3OCOc3cc2N1
CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C(=O)OC)cc1 Cc1cc(C)cc(c1)[*:1] CC[C@H](O[*:1])C(=O)Nc1ccc(cc1)C(=O)OC
CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C(=O)OC)cc1 COC(=O)[*:1] CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(cc1)[*:1]
O=S(=O)(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=S(=O)(NCC1(CCOCC1)c1ccc(F)cc1)c1ccc(cc1)[*:1]
O=S(=O)(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=S(=O)(NCC1(CCOCC1)c1ccc(F)cc1)c1ccc(cc1)O[*:1]
O=S(=O)(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc(OC(F)(F)F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(NCC1(CCOCC1)[*:1])c1ccc(cc1)OC(F)(F)F
COc1cc(Br)c(CN[C@H](C)Cc2ccco2)cc1OC c1coc(c1)[*:1] COc1cc(Br)c(cc1OC)CN[C@H](C)C[*:1]
COc1cc(Br)c(CN[C@H](C)Cc2ccco2)cc1OC c1coc(c1)C[*:1] COc1cc(Br)c(cc1OC)CN[C@H](C)[*:1]
C[S@@](=O)c1cccc(NC(=O)CCNC(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] C[S@@](=O)c1cccc(c1)NC(=O)CCNC(=O)O[*:1]
CCn1c(C)cc(O)c(C(c2cccnc2)c2c(O)cc(C)n(CC)c2=O)c1=O c1cncc(c1)[*:1] CCn1c(C)cc(O)c(c1=O)C(c1c(O)cc(C)n(CC)c1=O)[*:1]
COCC[NH2+]C/C(C)=C/c1ccccc1C COCC[*:1] C/C(=C\c1ccccc1C)C[NH2+][*:1]
COCC[NH2+]C/C(C)=C/c1ccccc1C COC[*:1] C/C(=C\c1ccccc1C)C[NH2+]C[*:1]
c1ccc(-c2noc(NCc3cc(N4CCOCC4)ncn3)n2)cc1 c1ccc(cc1)[*:1] c1nc(cc(n1)N1CCOCC1)CNc1nc(no1)[*:1]
c1ccc(-c2noc(NCc3cc(N4CCOCC4)ncn3)n2)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)-c1noc(n1)NCc1cc(ncn1)[*:1]
CC(C)c1ccc([C@H](C)[C@@H](C)O)cc1 CC(C)[*:1] C[C@@H](c1ccc(cc1)[*:1])[C@@H](C)O
CC(C)c1ccc([C@H](C)[C@@H](C)O)cc1 C[C@@H](O)[*:1] CC(C)c1ccc(cc1)[C@H](C)[*:1]
c1ccc(-c2cnc(C[NH2+]Cc3nncn3C3CC3)s2)cc1 c1ccc(cc1)[*:1] c1nc(C[NH2+]Cc2nncn2C2CC2)sc1[*:1]
c1ccc(-c2cnc(C[NH2+]Cc3nncn3C3CC3)s2)cc1 C1CC1[*:1] c1ccc(cc1)-c1cnc(C[NH2+]Cc2nncn2[*:1])s1
CC[C@H](C(=O)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2)n1cccn1 c1cnn(c1)[*:1] CC[C@H](C(=O)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2)[*:1]
CC[C@H](C(=O)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2)n1cccn1 CC(C)CC[*:1] CC[C@H](C(=O)N1CCC2(CC1)CN(C(=O)O2)[*:1])n1cccn1
CC[C@H](C(=O)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2)n1cccn1 CC(C)[*:1] CC[C@H](C(=O)N1CCC2(CC1)CN(CC[*:1])C(=O)O2)n1cccn1
CC[C@H](C(=O)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2)n1cccn1 CC(C)C[*:1] CC[C@H](C(=O)N1CCC2(CC1)CN(C[*:1])C(=O)O2)n1cccn1
COc1ccc(N(C[C@H]2C=c3ccccc3=[NH+]C2=O)C(=O)COc2ccccc2)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)N(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)C[*:1]
COc1ccc(N(C[C@H]2C=c3ccccc3=[NH+]C2=O)C(=O)COc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)CO[*:1]
COc1ccc(N(C[C@H]2C=c3ccccc3=[NH+]C2=O)C(=O)COc2ccccc2)cc1 c1ccc(cc1)OC[*:1] COc1ccc(cc1)N(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)[*:1]
COc1ccc(N(C[C@H]2C=c3ccccc3=[NH+]C2=O)C(=O)COc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C1[NH+]=c2ccccc2=C[C@@H]1CN(C(=O)COc1ccccc1)[*:1]
COCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1ccc(Br)cc1 COc1ccc(cc1)[*:1] COCCN1C(=O)c2[nH]nc(c2[C@H]1c1ccc(Br)cc1)[*:1]
COCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1ccc(Br)cc1 COC[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N(C[*:1])[C@H](c3ccc(Br)cc3)c12
COCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COCCN1C(=O)c2[nH]nc(-c3ccc(cc3)OC)c2[C@@H]1[*:1]
COCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1ccc(Br)cc1 COCC[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N([C@H](c3ccc(Br)cc3)c12)[*:1]
CSC[C@@](C)(O)CNC(=O)c1ccc(F)cc1F CSC[*:1] C[C@@](O)(CNC(=O)c1ccc(F)cc1F)[*:1]
CCC(CC)NC(=O)NC[C@@H]1COC2(CCCCC2)O1 CCC(CC)[*:1] O=C(NC[C@@H]1COC2(CCCCC2)O1)N[*:1]
CCN(C(=O)Nc1cc(-c2ncco2)ccc1C)[C@@H](C)CS(C)(=O)=O c1coc(n1)[*:1] CCN(C(=O)Nc1cc(ccc1C)[*:1])[C@@H](C)CS(C)(=O)=O
CCN(C(=O)Nc1cc(-c2ncco2)ccc1C)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(C(=O)Nc1cc(ccc1C)-c1ncco1)[C@@H](C)C[*:1]
CCN(C(=O)Nc1cc(-c2ncco2)ccc1C)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(C(=O)Nc1cc(ccc1C)-c1ncco1)[C@@H](C)[*:1]
CC(C)C(=O)Nc1ccc2nsnc2c1 CC(C)[*:1] O=C(Nc1ccc2nsnc2c1)[*:1]
COc1ccccc1[C@@H](CNC(=O)N1C[C@H]2CC=CC[C@H]2C1)[NH+](C)C COc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)N1C[C@H]2CC=CC[C@H]2C1)[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N2CC[C@@H](C)C[C@H](C)C2)n1 Cc1nc(C)n(n1)[*:1] C[C@@H]1CCN(C[C@@H](C)C1)C(=O)Nc1ccccc1[*:1]
O=C(CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)NCC1CC1 Clc1cccc(c1Cl)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])NCC1CC1
O=C(CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)NCC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)C(=O)c1cccc(Cl)c1Cl)NC[*:1]
O=C(CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)NCC1CC1 O=C(C[*:1])NCC1CC1 O=C(c1cccc(Cl)c1Cl)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)NCC1CC1 O=C(NCC1CC1)[*:1] O=C(c1cccc(Cl)c1Cl)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)NCC1CC1 C1CC1C[*:1] O=C(CN1CCN(CC1)C(=O)c1cccc(Cl)c1Cl)N[*:1]
CC(C)(C)CNC(=O)c1ccncc1Cl CC(C)(C)C[*:1] O=C(N[*:1])c1ccncc1Cl
CC(C)(C)CNC(=O)c1ccncc1Cl CC(C)(C)[*:1] O=C(NC[*:1])c1ccncc1Cl
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[*:1]
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1cccc(C#N)c1 Fc1cccc(c1)C[*:1] C[C@H](NC(=O)N(CC[NH+](C)C)[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1cccc(C#N)c1 Fc1cccc(c1)[*:1] C[C@H](NC(=O)N(CC[NH+](C)C)C[*:1])c1cccc(C#N)c1
C=C(Br)COc1ccc2c(C)cc(=O)oc2c1 C=C(Br)C[*:1] Cc1cc(=O)oc2cc(ccc12)O[*:1]
C=C(Br)COc1ccc2c(C)cc(=O)oc2c1 C=C(Br)CO[*:1] Cc1cc(=O)oc2cc(ccc12)[*:1]
C=C(Br)COc1ccc2c(C)cc(=O)oc2c1 C=C(Br)[*:1] Cc1cc(=O)oc2cc(ccc12)OC[*:1]
CN(C)S(=O)(=O)c1cccc(-c2cc(Cl)cc(C(=O)[O-])c2)c1 CN(C)S(=O)(=O)[*:1] O=C([O-])c1cc(Cl)cc(c1)-c1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1cccc(-c2cc(Cl)cc(C(=O)[O-])c2)c1 O=C([O-])[*:1] CN(C)S(=O)(=O)c1cccc(c1)-c1cc(Cl)cc(c1)[*:1]
CNS(=O)(=O)c1cccc([C@H](C)Nc2nc(C(C)C)ns2)c1 CC(C)[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)Nc1nc(ns1)[*:1]
CNS(=O)(=O)c1cccc([C@H](C)Nc2nc(C(C)C)ns2)c1 CNS(=O)(=O)[*:1] CC(C)c1nsc(n1)N[C@@H](C)c1cccc(c1)[*:1]
CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)[*:1]
CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 CC(C)(C)[*:1] O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 O=S(=O)(N1CCCCCC1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)[*:1]
CN(c1cccc(F)c1C(N)=[NH2+])[C@@H]1CCSC1 NC(=[NH2+])[*:1] CN(c1cccc(F)c1[*:1])[C@@H]1CCSC1
CN(c1cccc(F)c1C(N)=[NH2+])[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] CN(c1cccc(F)c1C(N)=[NH2+])[*:1]
CN(C[C@H](O)C1CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CN(C[C@H](O)C1CC1)C(=O)Nc1ccc(cc1)[*:1]
CN(C[C@H](O)C1CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)Nc1ccc(cc1)OC(F)(F)F
CN(C[C@H](O)C1CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CN(C[C@H](O)C1CC1)C(=O)Nc1ccc(cc1)O[*:1]
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NC1CCCCCC1 C1CC1[*:1] O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[*:1])NC1CCCCCC1
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)N[*:1]
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NC1CCCCCC1 O=C(NC1CCCCCC1)[*:1] O=C(C1CC1)N1CCc2cc(ccc21)S(=O)(=O)NCC[*:1]
CCOc1ccccc1NC(=O)COC(=O)c1oc2ccc(Br)cc2c1C CCOc1ccccc1[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)OCC(=O)N[*:1]
CCOc1ccccc1NC(=O)COC(=O)c1oc2ccc(Br)cc2c1C CCO[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)OCC(=O)Nc1ccccc1[*:1]
CCC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CCC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)O[*:1]
CCC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C CCC[*:1] C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][*:1]
Cc1ccc(CCCC(=O)NC(C)(C)c2nc(C)c(C)s2)s1 Cc1ccc(C[*:1])s1 Cc1nc(sc1C)C(C)(C)NC(=O)CC[*:1]
Cc1ccc(CCCC(=O)NC(C)(C)c2nc(C)c(C)s2)s1 Cc1ccc(s1)[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)CCC[*:1]
Cc1ccc(CCCC(=O)NC(C)(C)c2nc(C)c(C)s2)s1 Cc1nc(sc1C)[*:1] Cc1ccc(CCCC(=O)NC(C)(C)[*:1])s1
O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C1C(=O)N(C(=O)N1Cc1cn(nc1-c1ccc(Cl)cc1)[*:1])C1CCCC1
O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 C1CCC(C1)[*:1] O=C1C(=O)N(C(=O)N1Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1)[*:1]
O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C(=O)N(C(=O)N1Cc1cn(nc1[*:1])-c1ccccc1)C1CCCC1
Cc1ccc(C)c2c1CCC[C@H]2N1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] Cc1ccc(C)c2c1CCC[C@H]2N1CCN(CC1)C(=O)[*:1]
C[C@H](NC(=O)N(C)[C@H]1CCC[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NC(=O)N(C)[C@H]1CCC[C@@H](C)C1)c1ccc(cc1)[*:1]
COC(=O)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)C=3C#N)cc1 COC(=O)c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@@H]1C(C#N)=C(N)n2c(sc(=C[*:1])c2=O)=C1C#N
COC(=O)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)C=3C#N)cc1 COC(=O)[*:1] COC(=O)c1ccc(cc1)[C@@H]1C(C#N)=C(N)n2c(s/c(=C/c3ccc(cc3)[*:1])c2=O)=C1C#N
COC(=O)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)C=3C#N)cc1 COC(=O)[*:1] COC(=O)c1ccc(/C=c2/sc3=C(C#N)[C@@H](C(C#N)=C(N)n3c2=O)c2ccc(cc2)[*:1])cc1
COC(=O)c1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)C=3C#N)cc1 COC(=O)c1ccc(cc1)[*:1] COC(=O)c1ccc(/C=c2/sc3=C(C#N)[C@H](C(C#N)=C(N)n3c2=O)[*:1])cc1
Cc1cc(Cl)cc2c1OCCC[C@H]2NCc1nc(C2CC2)cs1 C1CC1[*:1] Cc1cc(Cl)cc2c1OCCC[C@H]2NCc1nc(cs1)[*:1]
CS[C@@H](C)C(=O)Oc1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] CS[C@@H](C)C(=O)Oc1ccc(cc1)NC(=O)[*:1]
CS[C@@H](C)C(=O)Oc1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] CS[C@@H](C)C(=O)Oc1ccc(cc1)[*:1]
O=C(COc1ccc(Cl)cc1)N(C[C@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 Clc1ccc(cc1)OC[*:1] O=C(N(C[C@H]1CCCO1)c1nc2c(F)cc(F)cc2s1)[*:1]
O=C(COc1ccc(Cl)cc1)N(C[C@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N(C[C@H]1CCCO1)c1nc2c(F)cc(F)cc2s1
O=C(COc1ccc(Cl)cc1)N(C[C@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N(C[C@H]1CCCO1)c1nc2c(F)cc(F)cc2s1
Cc1ccc(O)c(C(=O)NCCOc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(O)c(c1)C(=O)NCCO[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1ccccn1 CC(C)[*:1] C[C@H](OC(=O)c1ccccn1)C(=O)Nc1ccnn1[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1ccccn1 c1ccc(nc1)[*:1] CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[*:1]
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(Br)cc1C CCOC(=O)[*:1] Cc1cc(Br)ccc1OCC(=O)N1CCNC(=O)[C@H]1C[*:1]
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(Br)cc1C Cc1cc(Br)ccc1[*:1] CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CO[*:1]
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(Br)cc1C CCOC(=O)C[*:1] Cc1cc(Br)ccc1OCC(=O)N1CCNC(=O)[C@H]1[*:1]
O=[N+]([O-])c1ccccc1[C@H]1CC(c2ccccc2)=Nc2ncnn21 O=[N+]([O-])[*:1] c1ccc(cc1)C1C[C@H](c2ccccc2[*:1])n2ncnc2N=1
O=[N+]([O-])c1ccccc1[C@H]1CC(c2ccccc2)=Nc2ncnn21 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1[C@H]1CC(=Nc2ncnn21)[*:1]
Cn1nccc1CS[C@@H](C(=O)N1CCCCC1)c1ccccc1 Cn1nccc1C[*:1] O=C([C@H](S[*:1])c1ccccc1)N1CCCCC1
Cn1nccc1CS[C@@H](C(=O)N1CCCCC1)c1ccccc1 Cn1nccc1[*:1] O=C([C@H](SC[*:1])c1ccccc1)N1CCCCC1
Cn1nccc1CS[C@@H](C(=O)N1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] Cn1nccc1CS[C@@H](C(=O)N1CCCCC1)[*:1]
O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncc21 c1cc2OCOc2cc1[*:1] O=C1C[C@H](Cc2nc(ncc21)N1CCN(CC1)C[*:1])c1cccc(Cl)c1
O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncc21 c1cc2OCOc2cc1C[*:1] O=C1C[C@H](Cc2nc(ncc21)N1CCN(CC1)[*:1])c1cccc(Cl)c1
O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncc21 Clc1cccc(c1)[*:1] O=C1C[C@@H](Cc2nc(ncc21)N1CCN(CC1)Cc1ccc2OCOc2c1)[*:1]
CC[C@H](CSC)N(C)c1ccnc(C(C)(C)C)n1 CSC[*:1] CC[C@H](N(C)c1ccnc(n1)C(C)(C)C)[*:1]
CC[C@H](CSC)N(C)c1ccnc(C(C)(C)C)n1 CC(C)(C)[*:1] CC[C@H](CSC)N(C)c1ccnc(n1)[*:1]
Cc1cccc(OC2CN(Cc3c(C)nn(C)c3C)C2)c1 Cc1cccc(c1)[*:1] Cc1nn(C)c(C)c1CN1CC(C1)O[*:1]
CCOCc1ccccc1CNC(=O)N1CCc2cc(C)ccc21 CCO[*:1] Cc1ccc2c(c1)CCN2C(=O)NCc1ccccc1C[*:1]
CCOCc1ccccc1CNC(=O)N1CCc2cc(C)ccc21 CCOC[*:1] Cc1ccc2c(c1)CCN2C(=O)NCc1ccccc1[*:1]
CCN(C)S(=O)(=O)c1c(C)nn(CC(=O)c2cc(C)n(-c3nccs3)c2C)c1C CCN(C)S(=O)(=O)[*:1] Cc1nn(CC(=O)c2cc(C)n(-c3nccs3)c2C)c(C)c1[*:1]
CCN(C)S(=O)(=O)c1c(C)nn(CC(=O)c2cc(C)n(-c3nccs3)c2C)c1C c1csc(n1)[*:1] CCN(C)S(=O)(=O)c1c(C)nn(CC(=O)c2cc(C)n(c2C)[*:1])c1C
O=C(CCNC(=O)C1CCCC1)NCc1ccccc1Cl C1CCC(C1)[*:1] O=C(CCNC(=O)[*:1])NCc1ccccc1Cl
O=C(CCNC(=O)C1CCCC1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CCNC(=O)C1CCCC1)NC[*:1]
CCCCCCNC(=O)[C@@](F)(Cl)C(F)(F)F CCC[*:1] O=C(NCCC[*:1])[C@@](F)(Cl)C(F)(F)F
CCCCCCNC(=O)[C@@](F)(Cl)C(F)(F)F CCCC[*:1] O=C(NCC[*:1])[C@@](F)(Cl)C(F)(F)F
CCCCCCNC(=O)[C@@](F)(Cl)C(F)(F)F CCCCC[*:1] O=C(NC[*:1])[C@@](F)(Cl)C(F)(F)F
CCCCCCNC(=O)[C@@](F)(Cl)C(F)(F)F FC(F)(F)[*:1] CCCCCCNC(=O)[C@@](F)(Cl)[*:1]
C[C@@H](CC(=O)NN)SCC[NH+](C)C NNC(=O)[*:1] C[C@@H](C[*:1])SCC[NH+](C)C
COCCCn1c(=[NH2+])c(C(=O)N2CC[NH+](C)CC2)cc2c(=O)n3cccc(C)c3nc21 COCCC[*:1] Cc1cccn2c(=O)c3cc(C(=O)N4CC[NH+](C)CC4)c(=[NH2+])n(c3nc12)[*:1]
COCCCn1c(=[NH2+])c(C(=O)N2CC[NH+](C)CC2)cc2c(=O)n3cccc(C)c3nc21 COCC[*:1] Cc1cccn2c(=O)c3cc(C(=O)N4CC[NH+](C)CC4)c(=[NH2+])n(C[*:1])c3nc12
COCCCn1c(=[NH2+])c(C(=O)N2CC[NH+](C)CC2)cc2c(=O)n3cccc(C)c3nc21 COC[*:1] Cc1cccn2c(=O)c3cc(C(=O)N4CC[NH+](C)CC4)c(=[NH2+])n(CC[*:1])c3nc12
O=C(N1CCOCC1)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 c1ccc(nc1)[*:1] O=C(N1CCOCC1)N1CCC[C@@H]1c1nc(no1)[*:1]
COc1cccc2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)oc12 O=C1CCCN1[*:1] COc1cccc2cc(oc12)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C3CC3)CC2)c1C C[C@@H](NC(=O)[*:1])C1CC1 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C3CC3)CC2)c1C C1CC1[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H](C)CCC(C)(C)C)c(Br)n1 CC(C)(C)C[*:1] Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[*:1])c(Br)n1
Cc1ccc(NC(=O)C(=O)N[C@@H](C)CCC(C)(C)C)c(Br)n1 CC(C)(C)CC[*:1] Cc1ccc(NC(=O)C(=O)N[C@@H](C)[*:1])c(Br)n1
Cc1ccc(NC(=O)C(=O)N[C@@H](C)CCC(C)(C)C)c(Br)n1 CC(C)(C)[*:1] Cc1ccc(NC(=O)C(=O)N[C@@H](C)CC[*:1])c(Br)n1
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)[C@@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(s1)[N+](=O)[O-])[C@@H]1C[C@H]1[*:1]
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)[C@@H]1C[C@@H]1c1ccccc1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(s1)[*:1])[C@@H]1C[C@@H]1c1ccccc1
CCCOc1cccc(NC(=O)c2ccc(C(=O)OC)nc2)c1 COC(=O)[*:1] CCCOc1cccc(c1)NC(=O)c1ccc(nc1)[*:1]
CCCOc1cccc(NC(=O)c2ccc(C(=O)OC)nc2)c1 CCC[*:1] COC(=O)c1ccc(cn1)C(=O)Nc1cccc(c1)O[*:1]
CCCOc1cccc(NC(=O)c2ccc(C(=O)OC)nc2)c1 CCCO[*:1] COC(=O)c1ccc(cn1)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Sc3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Sc3ccccc3)C2)cc1 c1ccc(cc1)S[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1ccccc1[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Sc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1ccccc1S[*:1]
Cc1ccc([C@H](CNC(=O)Cc2ccon2)N2CCOCC2)cc1 c1cc(C[*:1])no1 Cc1ccc(cc1)[C@H](CNC(=O)[*:1])N1CCOCC1
Cc1ccc([C@H](CNC(=O)Cc2ccon2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)Cc1ccon1)[*:1]
Cc1ccc([C@H](CNC(=O)Cc2ccon2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccon1)NC[C@H](N1CCOCC1)[*:1]
Cc1ccc([C@H](CNC(=O)Cc2ccon2)N2CCOCC2)cc1 c1cc(no1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)C[*:1])N1CCOCC1
CCCNC(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 CCCNC(=O)[*:1] O=C(c1ccc2OCOc2c1)N1CC(C1)[*:1]
CCCNC(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 CCC[*:1] O=C(N[*:1])C1CN(C1)C(=O)c1ccc2OCOc2c1
C[C@@H](Cc1c(F)cccc1F)NC(=O)NCCc1cnn(C)c1 Cn1cc(cn1)C[*:1] C[C@@H](Cc1c(F)cccc1F)NC(=O)NC[*:1]
C[C@@H](Cc1c(F)cccc1F)NC(=O)NCCc1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](Cc1c(F)cccc1F)NC(=O)NCC[*:1]
COC(=O)[C@@]1(C)O[C@]1(C)c1ccccc1Cl COC(=O)[*:1] C[C@]1(O[C@]1(C)c1ccccc1Cl)[*:1]
CCc1nn(C)cc1C(=O)N[C@H](C)[C@@H](C)C1CCCCC1 C1CCC(CC1)[*:1] CCc1nn(C)cc1C(=O)N[C@H](C)[C@@H](C)[*:1]
CC[C@]1(C)CCCN(C(=O)Nc2ccnn2Cc2ccccn2)C1 c1ccc(C[*:1])nc1 CC[C@]1(C)CCCN(C1)C(=O)Nc1ccnn1[*:1]
CC[C@]1(C)CCCN(C(=O)Nc2ccnn2Cc2ccccn2)C1 c1ccc(nc1)[*:1] CC[C@]1(C)CCCN(C1)C(=O)Nc1ccnn1C[*:1]
COc1ccc(F)cc1NC(=O)C(=O)NCC(C)(C)c1ccccc1F Fc1ccccc1[*:1] COc1ccc(F)cc1NC(=O)C(=O)NCC(C)(C)[*:1]
CCOC(=O)c1sc(NC(=O)[C@H]2CCO[C@H]2C)nc1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1sc(nc1[*:1])NC(=O)[C@H]1CCO[C@H]1C
CCOC(=O)c1sc(NC(=O)[C@H]2CCO[C@H]2C)nc1-c1ccccc1 CCOC(=O)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1nc(-c2ccccc2)c(s1)[*:1]
Cc1cccc([C@@H]2CCCCCN2C(=O)c2cnc([C@@H]3CCCO3)s2)c1 Cc1cccc(c1)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCCCC[C@H]1[*:1]
Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)cc1 Cc1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1sc2CCCCc2c1C(=O)N[C@@H]1CCS(=O)(=O)C1
Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)cc1 Cc1ccc(C=C[*:1])cc1 O=C(N[C@@H]1CCS(=O)(=O)C1)c1c(NC(=O)[*:1])sc2CCCCc21
CC[C@@H](C)N(C)C(=O)Cc1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] CC[C@@H](C)N(C)C(=O)Cc1cccc(c1)OC[*:1]
CC[C@@H](C)N(C)C(=O)Cc1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] CC[C@@H](C)N(C)C(=O)Cc1cccc(c1)O[*:1]
C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1ccccc1F C1CCC(CC1)[*:1] C[C@H]([NH2+]C1CCN(CC1)C(=O)N[*:1])c1ccccc1F
C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1ccccc1F Fc1ccccc1[*:1] C[C@H]([NH2+]C1CCN(CC1)C(=O)NC1CCCCC1)[*:1]
C[C@H](CCCO)Nc1nccnc1C#N OCCC[*:1] C[C@H](Nc1nccnc1C#N)[*:1]
C[C@H](CCCO)Nc1nccnc1C#N OCC[*:1] C[C@H](C[*:1])Nc1nccnc1C#N
CN[C@@]1(C(=O)OC)CC[C@H](Sc2n[nH]c(=O)n2C2CC2)C1 COC(=O)[*:1] CN[C@]1(CC[C@@H](C1)Sc1n[nH]c(=O)n1C1CC1)[*:1]
CN[C@@]1(C(=O)OC)CC[C@H](Sc2n[nH]c(=O)n2C2CC2)C1 C1CC1[*:1] CN[C@]1(CC[C@@H](C1)Sc1n[nH]c(=O)n1[*:1])C(=O)OC
CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ncnn1C CCC[C@H](C)[*:1] Cn1ncnc1NC(=O)N1CCC[C@H]1[*:1]
CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ncnn1C CCC[*:1] C[C@H]([C@@H]1CCCN1C(=O)Nc1ncnn1C)[*:1]
CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ncnn1C Cn1ncnc1[*:1] CCC[C@H](C)[C@@H]1CCCN1C(=O)N[*:1]
CCCNC(=O)c1cccc(C[NH2+]Cc2cccc(Cl)c2Cl)c1 CCC[*:1] O=C(N[*:1])c1cccc(c1)C[NH2+]Cc1cccc(Cl)c1Cl
CCCNC(=O)c1cccc(C[NH2+]Cc2cccc(Cl)c2Cl)c1 CCCNC(=O)[*:1] Clc1cccc(C[NH2+]Cc2cccc(c2)[*:1])c1Cl
Cn1cc(CCOc2ccc(O[C@H]3CCCCNC3=O)cc2)cn1 Cn1cc(cn1)CC[*:1] O=C1NCCCC[C@@H]1Oc1ccc(cc1)O[*:1]
Cn1cc(CCOc2ccc(O[C@H]3CCCCNC3=O)cc2)cn1 Cn1cc(cn1)[*:1] O=C1NCCCC[C@@H]1Oc1ccc(cc1)OCC[*:1]
Cn1cc(CCOc2ccc(O[C@H]3CCCCNC3=O)cc2)cn1 Cn1cc(cn1)C[*:1] O=C1NCCCC[C@@H]1Oc1ccc(cc1)OC[*:1]
CCCN(CCC)c1nnnc2c1sc1[nH+]c(N3CCOCC3)c3c(c12)CC(C)(C)OC3 CCCN(CCC)[*:1] CC1(C)Cc2c(CO1)c([nH+]c1sc3c(nnnc3c21)[*:1])N1CCOCC1
CCCN(CCC)c1nnnc2c1sc1[nH+]c(N3CCOCC3)c3c(c12)CC(C)(C)OC3 CCC[*:1] CCCN(c1nnnc2c1sc1[nH+]c(c3COC(C)(C)Cc3c12)N1CCOCC1)[*:1]
CCCN(CCC)c1nnnc2c1sc1[nH+]c(N3CCOCC3)c3c(c12)CC(C)(C)OC3 C1CN(CCO1)[*:1] CCCN(CCC)c1nnnc2c1sc1[nH+]c(c3COC(C)(C)Cc3c12)[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)NCc2ccccc2)n1 COc1ccc(Cl)cc1[*:1] C[C@H](Sc1nc(n[nH]1)[*:1])C(=O)NCc1ccccc1
COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)NCc2ccccc2)n1 c1ccc(cc1)C[*:1] COc1ccc(Cl)cc1-c1n[nH]c(n1)S[C@@H](C)C(=O)N[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)NCc2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1-c1n[nH]c(n1)S[C@@H](C)C(=O)NC[*:1]
O=C(COC(=O)c1cc(=O)[nH]c([O-])n1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(COC(=O)c1cc(=O)[nH]c([O-])n1)N[*:1]
O=C(COC(=O)c1cc(=O)[nH]c([O-])n1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(COC(=O)c1cc(=O)[nH]c([O-])n1)NC[*:1]
Cc1ccc(C2=C[C@@H]([C@H]3NC(c4cccc(C(F)(F)F)c4)=NO3)N=N2)c(C)c1 Cc1ccc(c(C)c1)[*:1] FC(F)(F)c1cccc(c1)C1=NO[C@H](N1)[C@@H]1C=C(N=N1)[*:1]
Cc1ccc(C2=C[C@@H]([C@H]3NC(c4cccc(C(F)(F)F)c4)=NO3)N=N2)c(C)c1 FC(F)(F)[*:1] Cc1ccc(C2=C[C@H](N=N2)[C@H]2NC(=NO2)c2cccc(c2)[*:1])c(C)c1
CCC[C@]1(C(=O)NC(N)=O)CC[NH2+]C1 CCC[*:1] NC(=O)NC(=O)[C@@]1(CC[NH2+]C1)[*:1]
COc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+](C)C)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CC1(C)S[C@H]2[C@H](NC(=O)[C@H](NN3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-] O=C1NCCN1N[*:1] CC1(C)S[C@H]2[C@H](NC(=O)[C@H](c3ccccc3)[*:1])C(=O)N2[C@H]1C(=O)[O-]
CC1(C)S[C@H]2[C@H](NC(=O)[C@H](NN3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-] c1ccc(cc1)[*:1] CC1(C)S[C@H]2[C@H](NC(=O)[C@H](NN3CCNC3=O)[*:1])C(=O)N2[C@H]1C(=O)[O-]
CC1(C)S[C@H]2[C@H](NC(=O)[C@H](NN3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)S[C@H]2[C@H](NC(=O)[C@H](NN3CCNC3=O)c3ccccc3)C(=O)N2[C@@H]1[*:1]
CNC(=S)N1CCN(c2nc3c(C)nn(C)c3c(=O)n2C(C)C)CC1 CC(C)[*:1] CNC(=S)N1CCN(CC1)c1nc2c(C)nn(C)c2c(=O)n1[*:1]
CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O CC(C)[*:1] C[C@@]1(NC(=O)N(CC(=O)N(Cc2ccccc2)[*:1])C1=O)c1ccccc1Br
CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccccc1Br
CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O Brc1ccccc1[*:1] CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O c1ccc(cc1)C[*:1] CC(C)N(C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccccc1Br)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)c1sccc1Br c1cc(cs1)C[*:1] C[C@H](N(C)C(=O)c1sccc1Br)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)c1sccc1Br c1cc(cs1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1sccc1Br
C[C@H](Cc1ccsc1)N(C)C(=O)c1sccc1Br Brc1ccsc1[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(C2SCCS2)c1 C1CSC(S1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2cccnc2Cl)CC1 O=C(NC1CC1)[*:1] C[C@@H](N1CC[NH+](CC1)Cc1cccnc1Cl)[*:1]
C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2cccnc2Cl)CC1 C1CC1[*:1] C[C@@H](C(=O)N[*:1])N1CC[NH+](CC1)Cc1cccnc1Cl
C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2cccnc2Cl)CC1 Clc1ncccc1[*:1] C[C@@H](C(=O)NC1CC1)N1CC[NH+](CC1)C[*:1]
CCS[C@@H](C(=O)Nc1cc(-c2ccncc2)ccc1C)C(C)C CCS[*:1] Cc1ccc(cc1NC(=O)[C@@H](C(C)C)[*:1])-c1ccncc1
CCS[C@@H](C(=O)Nc1cc(-c2ccncc2)ccc1C)C(C)C c1cc(ccn1)[*:1] CCS[C@@H](C(=O)Nc1cc(ccc1C)[*:1])C(C)C
CCS[C@@H](C(=O)Nc1cc(-c2ccncc2)ccc1C)C(C)C CC(C)[*:1] CCS[C@@H](C(=O)Nc1cc(ccc1C)-c1ccncc1)[*:1]
CS(=O)(=O)N1CCC(C(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)NC[C@H](C1C[NH+]=c2ccccc2=1)[*:1]
CS(=O)(=O)N1CCC(C(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)c2ccccc2Cl)CC1 CS(=O)(=O)N1CCC(CC1)[*:1] O=C(NC[C@H](C1C[NH+]=c2ccccc2=1)c1ccccc1Cl)[*:1]
CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCC(=O)N1N=C2c3cc(ccc3CC[C@H]2[C@@H]1[*:1])OC
COC[C@H](NC(=O)c1cnc2c(cnn2CC(C)C)c1)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)c1cnc2c(cnn2CC(C)C)c1)[*:1]
COC[C@H](NC(=O)c1cnc2c(cnn2CC(C)C)c1)C(N)=O COC[C@H](C(N)=O)[*:1] CC(C)Cn1ncc2cc(cnc21)C(=O)N[*:1]
COC[C@H](NC(=O)c1cnc2c(cnn2CC(C)C)c1)C(N)=O CC(C)C[*:1] COC[C@H](NC(=O)c1cnc2c(cnn2[*:1])c1)C(N)=O
COC[C@H](NC(=O)c1cnc2c(cnn2CC(C)C)c1)C(N)=O CC(C)[*:1] COC[C@H](NC(=O)c1cnc2c(cnn2C[*:1])c1)C(N)=O
COC[C@H](NC(=O)c1cnc2c(cnn2CC(C)C)c1)C(N)=O COC[*:1] CC(C)Cn1ncc2cc(cnc21)C(=O)N[C@H](C(N)=O)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)Cc1c(F)cccc1F CC(C)[*:1] C[C@H]1C[C@@H]1CN(C(=O)Cc1c(F)cccc1F)[*:1]
O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 Fc1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
CCC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2Cl)C(C)C)C1 Clc1ccccc1[*:1] CCC(=O)N1CC[C@@H](C1)[NH2+][C@H](C(C)C)[*:1]
CCC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2Cl)C(C)C)C1 CC(C)[*:1] CCC(=O)N1CC[C@@H](C1)[NH2+][C@H](c1ccccc1Cl)[*:1]
COC[C@@H]1CCCN1C(=O)/C=C(/C)c1ccccc1OC(F)F COC[*:1] C/C(=C/C(=O)N1CCC[C@H]1[*:1])c1ccccc1OC(F)F
COC[C@@H]1CCCN1C(=O)/C=C(/C)c1ccccc1OC(F)F FC(F)O[*:1] COC[C@@H]1CCCN1C(=O)/C=C(/C)c1ccccc1[*:1]
COC[C@@H]1CCCN1C(=O)/C=C(/C)c1ccccc1OC(F)F FC(F)[*:1] COC[C@@H]1CCCN1C(=O)/C=C(/C)c1ccccc1O[*:1]
CCNC(=O)NCCOC(=O)C1(c2cccc(F)c2)CC1 CCNC(=O)N[*:1] O=C(OCC[*:1])C1(CC1)c1cccc(F)c1
CCNC(=O)NCCOC(=O)C1(c2cccc(F)c2)CC1 CCNC(=O)NC[*:1] O=C(OC[*:1])C1(CC1)c1cccc(F)c1
CCNC(=O)NCCOC(=O)C1(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CCNC(=O)NCCOC(=O)C1(CC1)[*:1]
Cc1cccc(NNC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)c1 Cc1cccc(c1)[*:1] CC(C)CNS(=O)(=O)c1ccc(cc1)C(=O)NN[*:1]
Cc1cccc(NNC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)c1 CC(C)[*:1] Cc1cccc(c1)NNC(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
Cc1cccc(NNC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)c1 CC(C)CNS(=O)(=O)[*:1] Cc1cccc(c1)NNC(=O)c1ccc(cc1)[*:1]
Cc1cccc(NNC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)c1 CC(C)C[*:1] Cc1cccc(c1)NNC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 C[C@@H](c1ccncc1)[*:1] CN(C(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 c1cc(ccn1)[*:1] C[C@@H](N(C)C(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CC(C)c1nc(NC(=O)NCc2ccc3c(c2)CCC3)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)NCc1ccc2CCCc2c1)[*:1]
CCC[NH2+]C[C@H]1CCO[C@H]1c1ccc(CC)o1 CCC[*:1] CCc1ccc(o1)[C@@H]1OCC[C@@H]1C[NH2+][*:1]
C[C@H](Nc1nc(-c2ccsc2)nc2ccccc12)C1CC1 C[C@H](C1CC1)[*:1] c1ccc2c(nc(nc2c1)-c1ccsc1)N[*:1]
C[C@H](Nc1nc(-c2ccsc2)nc2ccccc12)C1CC1 C[C@H](N[*:1])C1CC1 c1ccc2c(nc(nc2c1)-c1ccsc1)[*:1]
C[C@H](Nc1nc(-c2ccsc2)nc2ccccc12)C1CC1 C1CC1[*:1] C[C@H](Nc1nc(nc2ccccc12)-c1ccsc1)[*:1]
C[C@H](Nc1nc(-c2ccsc2)nc2ccccc12)C1CC1 c1cc(cs1)[*:1] C[C@H](Nc1nc(nc2ccccc12)[*:1])C1CC1
CC(=O)/C=C(/C)NNC(=O)c1ccc(Cl)cc1Cl CC(=O)[*:1] CC(=C[*:1])NNC(=O)c1ccc(Cl)cc1Cl
CC(=O)/C=C(/C)NNC(=O)c1ccc(Cl)cc1Cl CC(=O)C=C(C)[*:1] O=C(NN[*:1])c1ccc(Cl)cc1Cl
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1 OCC[*:1] C[C@@H]1C[C@H]1C(=O)Nc1ccc(cc1)C(=O)N(Cc1ccccc1)[*:1]
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H]1C(=O)Nc1ccc(cc1)C(=O)N(CCO)C[*:1]
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] C[C@@H]1C[C@H]1C(=O)Nc1ccc(cc1)C(=O)N(CCO)[*:1]
O=C1CCN(C(=O)C2CC[NH+](C3CCN(c4nc5ccccc5o4)CC3)CC2)CCN1 c1ccc2oc(nc2c1)[*:1] O=C1CCN(CCN1)C(=O)C1CC[NH+](CC1)C1CCN(CC1)[*:1]
O=C1CCN(C(=O)C2CC[NH+](C3CCN(c4nc5ccccc5o4)CC3)CC2)CCN1 O=C1CCN(CCN1)C(=O)[*:1] c1ccc2oc(nc2c1)N1CCC(CC1)[NH+]1CCC(CC1)[*:1]
C[C@H](NC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)C(C)(C)C[NH+](C)C Oc1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)[*:1])C(C)(C)C[NH+](C)C
CC(C)c1csc(-c2[nH]cnc2-c2ccccc2)n1 CC(C)[*:1] c1ccc(cc1)-c1nc[nH]c1-c1nc(cs1)[*:1]
CC(C)c1csc(-c2[nH]cnc2-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)c1csc(n1)-c1[nH]cnc1[*:1]
C[C@H]1CN(c2ncnc3nc(N)ccc23)C[C@H](c2ccc(F)cc2)O1 Fc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])c1ncnc2nc(N)ccc12
COc1ccc(C[C@H](C)CNC(=O)Nc2c[nH]nc2-c2ccccn2)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)Nc1c[nH]nc1-c1ccccn1)C[*:1]
COc1ccc(C[C@H](C)CNC(=O)Nc2c[nH]nc2-c2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)C[C@H](C)CNC(=O)Nc1c[nH]nc1[*:1]
COc1ccc(C[C@H](C)CNC(=O)Nc2c[nH]nc2-c2ccccn2)cc1 COc1ccc(cc1)C[*:1] C[C@H](CNC(=O)Nc1c[nH]nc1-c1ccccn1)[*:1]
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2c(-c3cccs3)noc2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)Cn1c(noc1=O)-c1cccs1)[*:1]
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2c(-c3cccs3)noc2=O)cc1 c1csc(c1)[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)Cn1c(noc1=O)[*:1])c1ccccc1
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2c(-c3cccs3)noc2=O)cc1 COc1ccc(cc1)[*:1] O=C(Cn1c(noc1=O)-c1cccs1)N1N=C(C[C@@H]1[*:1])c1ccccc1
Cc1ccc(C)c(NC(=O)[C@@H](C)n2nnc3ccccc3c2=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](C(=O)N[*:1])n1nnc2ccccc2c1=O
CC(C)CCn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O CC(C)[*:1] O=c1c2nnc3c(cnn3c2ccn1CC[*:1])-c1ccc(F)cc1
CC(C)CCn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O CC(C)CC[*:1] O=c1c2nnc3c(cnn3c2ccn1[*:1])-c1ccc(F)cc1
CC(C)CCn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O CC(C)C[*:1] O=c1c2nnc3c(cnn3c2ccn1C[*:1])-c1ccc(F)cc1
CC(C)CCn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O Fc1ccc(cc1)[*:1] CC(C)CCn1ccc2c(nnc3c(cnn32)[*:1])c1=O
CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCn1cc(Cl)cn1)C2 CC(C)=CC[*:1] O=C(CCn1cc(Cl)cn1)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCn1cc(Cl)cn1)C2 Clc1cnn(c1)C[*:1] CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)C[*:1]
CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCn1cc(Cl)cn1)C2 Clc1cnn(c1)[*:1] CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)CC[*:1]
CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCn1cc(Cl)cn1)C2 Clc1cnn(c1)CC[*:1] CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)[*:1]
CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCn1cc(Cl)cn1)C2 CC(C)=C[*:1] O=C(CCn1cc(Cl)cn1)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCC(=O)N(C)C Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCCC(=O)N(C)C
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCC(=O)N(C)C CN(C)C(=O)C[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCC(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCC(=O)N(C)C CN(C)C(=O)CC[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
CN(C)C(=O)[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1 Fc1ccc(cc1)[*:1] CN(C)C(=O)[C@H](Sc1nnc(c2ccccc12)[*:1])c1ccccc1
CN(C)C(=O)[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)[*:1]
CN(C)C(=O)[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1 CN(C)C(=O)[*:1] Fc1ccc(cc1)-c1nnc(S[C@H](c2ccccc2)[*:1])c2ccccc12
C[C@@H](NC(=S)NNC(=O)c1ccc2c(c1)CCCC2)C1CC1 C1CC1[*:1] C[C@@H](NC(=S)NNC(=O)c1ccc2CCCCc2c1)[*:1]
O=[N+]([O-])c1cc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)ccc1Cl O=[N+]([O-])[*:1] O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1ccc(Cl)c(c1)[*:1]
O=[N+]([O-])c1cc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)ccc1Cl Clc1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1Cl)[N-]S(=O)(=O)C=C[*:1]
Cc1ccccc1N1C(=O)C2=C3CCC[C@H]3SC2=NC1=S Cc1ccccc1[*:1] O=C1C2C(=NC(=S)N1[*:1])S[C@@H]1CCCC=21
CC(C)(C)OC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 CC(C)(C)[*:1] O=C(N[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)CBr)O[*:1]
CC(C)(C)OC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 BrCc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CC(C)(C)OC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 CC(C)(C)OC(=O)N[*:1] O=S(=O)(c1ccc(cc1)CBr)N1CCC[C@H](C1)[*:1]
C[C@]1(C(=O)NCCCC/C(N)=N/O)CCCO1 N/C(C[*:1])=N\O C[C@@]1(CCCO1)C(=O)NCCC[*:1]
C[C@]1(C(=O)NCCCC/C(N)=N/O)CCCO1 N/C(=N\O)[*:1] C[C@@]1(CCCO1)C(=O)NCCCC[*:1]
CCc1nn(C)cc1NC(=O)[C@H]1CCCN1c1ncnc2sccc12 CCc1nn(C)cc1[*:1] O=C(N[*:1])[C@H]1CCCN1c1ncnc2sccc12
Cc1cccc2[nH]cc(CC(=O)O[C@@H]3CC[C@@H](S(C)(=O)=O)C3)c12 CS(=O)(=O)[*:1] Cc1cccc2[nH]cc(CC(=O)O[C@@H]3CC[C@@H](C3)[*:1])c12
CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1OC COc1ccccc1[*:1] CCC(=O)N1N=C(C[C@@H]1[*:1])c1ccc(cc1)NS(C)(=O)=O
CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1OC CS(=O)(=O)N[*:1] CCC(=O)N1N=C(C[C@H]1c1ccccc1OC)c1ccc(cc1)[*:1]
CC[C@H](C(=O)[O-])n1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O O=C([O-])[*:1] CC[C@H](n1cnc2scc(-c3cccc(c3)[N+](=O)[O-])c2c1=O)[*:1]
CC[C@H](C(=O)[O-])n1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O O=[N+]([O-])[*:1] CC[C@H](C(=O)[O-])n1cnc2scc(-c3cccc(c3)[*:1])c2c1=O
Cc1ccccc1N[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(Cl)(Cl)Cl Cc1ccccc1[*:1] O=C(N[C@@H](N[*:1])C(Cl)(Cl)Cl)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Cc1ccccc1N[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(Cl)(Cl)Cl O=[N+]([O-])[*:1] Cc1ccccc1N[C@H](NC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-])C(Cl)(Cl)Cl
Cc1ccccc1N[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] Cc1ccccc1N[C@H](NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[*:1]
Cc1ccccc1N[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(Cl)(Cl)Cl Cc1ccccc1N[*:1] O=C(N[C@H](C(Cl)(Cl)Cl)[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
C[C@@H](CCc1cccn1C)NC(=O)[C@@H]1CSC(=O)N1 O=C1N[C@@H](CS1)[*:1] C[C@@H](CCc1cccn1C)NC(=O)[*:1]
C[C@@H](CCc1cccn1C)NC(=O)[C@@H]1CSC(=O)N1 Cn1cccc1[*:1] C[C@@H](CC[*:1])NC(=O)[C@@H]1CSC(=O)N1
O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCCN(c2nccs2)CC1 c1csc(n1)[*:1] O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCCN(CC1)[*:1]
O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCCN(c2nccs2)CC1 O=[N+]([O-])[*:1] C(=C/c1ccccc1[*:1])\C[NH+]1CCCN(CC1)c1nccs1
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@H]2CC=CC[C@@H]2C1 C#CC[*:1] O=C(Nc1cc(F)ccc1O[*:1])C(=O)N1C[C@H]2CC=CC[C@@H]2C1
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@H]2CC=CC[C@@H]2C1 C#CCO[*:1] O=C(Nc1cc(F)ccc1[*:1])C(=O)N1C[C@H]2CC=CC[C@@H]2C1
CCc1ccc(CC)c(NC(=O)c2csc(-c3cnccn3)n2)c1 c1cnc(cn1)[*:1] CCc1ccc(CC)c(c1)NC(=O)c1csc(n1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cc(Br)ccc1Cl CNC(=O)[C@H](C)[*:1] CN(C[*:1])C(=O)c1cc(Br)ccc1Cl
CNC(=O)[C@H](C)CN(C)C(=O)c1cc(Br)ccc1Cl CNC(=O)[*:1] C[C@H](CN(C)C(=O)c1cc(Br)ccc1Cl)[*:1]
Cc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 C1CCC(C1)[*:1] Cc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccn(n1)[*:1]
Cc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 Cc1ccccc1[*:1] C[C@@H](CC(=O)N[*:1])[NH2+]Cc1ccn(n1)C1CCCC1
Cc1nc(-c2ccncc2)nc(NCCCc2c(C)nn(C)c2C)c1C c1cc(ccn1)[*:1] Cc1nc(nc(NCCCc2c(C)nn(C)c2C)c1C)[*:1]
Cc1nc(-c2ccncc2)nc(NCCCc2c(C)nn(C)c2C)c1C Cc1nn(C)c(C)c1[*:1] Cc1nc(nc(NCCC[*:1])c1C)-c1ccncc1
CC(C)(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 c1coc(c1)[*:1] CC(C)(C)CC(=O)Nc1ccc2CCCN(C(=O)[*:1])c2c1
CC(C)(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 CC(C)(C)[*:1] O=C(C[*:1])Nc1ccc2CCCN(C(=O)c3ccco3)c2c1
CC(C)(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 CC(C)(C)C[*:1] O=C(c1ccco1)N1CCCc2ccc(cc21)NC(=O)[*:1]
CC(C)(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 CC(C)(C)CC(=O)N[*:1] O=C(c1ccco1)N1CCCc2ccc(cc21)[*:1]
C#CCN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 C#CC[*:1] O=[N+]([O-])c1cccc(F)c1CN1CCN(CC1)[*:1]
C#CCN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C#CCN1CCN(CC1)Cc1c(F)cccc1[*:1]
CCCCC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N CCN(CC)C(=O)[*:1] CCCCC(=O)Nc1sc(c(C)c1C#N)[*:1]
CCCCC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N CCCCC(=O)N[*:1] CCN(CC)C(=O)c1sc(c(C#N)c1C)[*:1]
CCCCC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N CCCC[*:1] CCN(CC)C(=O)c1sc(NC(=O)[*:1])c(C#N)c1C
CCCCC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N CCC[*:1] CCN(CC)C(=O)c1sc(NC(=O)C[*:1])c(C#N)c1C
Brc1cccc(-c2cnc(CSc3ncc[nH]3)o2)c1 c1c[nH]c(n1)S[*:1] Brc1cccc(c1)-c1cnc(C[*:1])o1
Brc1cccc(-c2cnc(CSc3ncc[nH]3)o2)c1 c1c[nH]c(n1)[*:1] Brc1cccc(c1)-c1cnc(CS[*:1])o1
COc1ccc(NC(=O)N(C)Cc2ccccc2Br)cc1Br Brc1ccccc1[*:1] COc1ccc(cc1Br)NC(=O)N(C)C[*:1]
COc1ccccc1[C@H](NC(=O)N1CCOC[C@H]1C1CC1)c1ccccc1 COc1ccccc1[*:1] O=C(N[C@H](c1ccccc1)[*:1])N1CCOC[C@H]1C1CC1
COc1ccccc1[C@H](NC(=O)N1CCOC[C@H]1C1CC1)c1ccccc1 C1CC1[*:1] COc1ccccc1[C@H](NC(=O)N1CCOC[C@@H]1[*:1])c1ccccc1
COc1ccccc1[C@H](NC(=O)N1CCOC[C@H]1C1CC1)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@H](NC(=O)N1CCOC[C@H]1C1CC1)[*:1]
Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)[*:1])c(C)c1
Cc1csc(NC(=O)CN2CCC([NH+](C)C)CC2)n1 Cc1csc(n1)[*:1] C[NH+](C)C1CCN(CC1)CC(=O)N[*:1]
O=C(/C=C/c1cccc2cccnc12)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(/C=C/c1cccc2cccnc12)N1CCO[C@@H](C1)[*:1]
Cc1sc(/C=N/NC(=O)c2ccco2)cc1Br c1coc(c1)[*:1] Cc1sc(/C=N/NC(=O)[*:1])cc1Br
C[C@@H](c1ccco1)N(C(=O)c1ccnc(OC2CCC2)c1)C1CC1 C1CC(C1)O[*:1] C[C@@H](c1ccco1)N(C(=O)c1ccnc(c1)[*:1])C1CC1
C[C@@H](c1ccco1)N(C(=O)c1ccnc(OC2CCC2)c1)C1CC1 C[C@@H](c1ccco1)[*:1] O=C(c1ccnc(c1)OC1CCC1)N(C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)c1ccnc(OC2CCC2)c1)C1CC1 C1CC(C1)[*:1] C[C@@H](c1ccco1)N(C(=O)c1ccnc(c1)O[*:1])C1CC1
C[C@@H](c1ccco1)N(C(=O)c1ccnc(OC2CCC2)c1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)c1ccnc(c1)OC1CCC1)C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)c1ccnc(OC2CCC2)c1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)c1ccnc(c1)OC1CCC1)[*:1]
CC(C)COc1ccccc1N[C@H]1CS[C@H](C)C1 CC(C)[*:1] C[C@@H]1C[C@H](CS1)Nc1ccccc1OC[*:1]
CC(C)COc1ccccc1N[C@H]1CS[C@H](C)C1 CC(C)CO[*:1] C[C@@H]1C[C@H](CS1)Nc1ccccc1[*:1]
CC(C)COc1ccccc1N[C@H]1CS[C@H](C)C1 CC(C)C[*:1] C[C@@H]1C[C@H](CS1)Nc1ccccc1O[*:1]
COC(=O)[C@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H](c2ccc(OC(C)C)c(OC)c2)N1C(C)=O COC(=O)[*:1] COc1cc(ccc1OC(C)C)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@@H](N1C(C)=O)[*:1]
COC(=O)[C@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H](c2ccc(OC(C)C)c(OC)c2)N1C(C)=O CC(C)[*:1] COC(=O)[C@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H](c2ccc(O[*:1])c(c2)OC)N1C(C)=O
COC(=O)[C@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H](c2ccc(OC(C)C)c(OC)c2)N1C(C)=O CC(C)O[*:1] COC(=O)[C@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H](c2ccc(c(c2)OC)[*:1])N1C(C)=O
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(c1nncs1)C3=O c1nnc(s1)[*:1] Cc1ccc2oc3C(=O)N([C@@H](c4cccc(Cl)c4)c3c(=O)c2c1)[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(c1nncs1)C3=O Clc1cccc(c1)[*:1] Cc1ccc2oc3C(=O)N(c4nncs4)[C@@H](c3c(=O)c2c1)[*:1]
CCn1c[nH+]cc1CNc1nccc(-c2cnn(-c3ccccc3C)c2)n1 Cc1ccccc1[*:1] CCn1c[nH+]cc1CNc1nccc(n1)-c1cnn(c1)[*:1]
CCCCOCC[NH+]1CCc2n[nH]cc2C1 CCC[*:1] c1[nH]nc2CC[NH+](CCOC[*:1])Cc12
CCCCOCC[NH+]1CCc2n[nH]cc2C1 CCCCO[*:1] c1[nH]nc2CC[NH+](CC[*:1])Cc12
CCCCOCC[NH+]1CCc2n[nH]cc2C1 CCCC[*:1] c1[nH]nc2CC[NH+](CCO[*:1])Cc12
Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)nn1C c1cncc(c1)[*:1] Cc1cc(nn1C)C(=O)N(C[*:1])c1nc2c(F)cc(F)cc2s1
Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)nn1C c1cncc(c1)C[*:1] Cc1cc(nn1C)C(=O)N(c1nc2c(F)cc(F)cc2s1)[*:1]
Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)nn1C Cc1cc(nn1C)[*:1] O=C(N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1)[*:1]
C[C@H](NC(=O)NCC[S@@](C)=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCC[S@@](C)=O)C(c1ccccc1)[*:1]
CC(=O)NCC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 CC(=O)N[*:1] CN(C(=O)c1ccc(cc1Cl)NC(=O)C[*:1])C1CCCCC1
CC(=O)NCC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 CC(=O)NCC(=O)N[*:1] CN(C(=O)c1ccc(cc1Cl)[*:1])C1CCCCC1
CC(=O)NCC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 C1CCC(CC1)[*:1] CC(=O)NCC(=O)Nc1ccc(C(=O)N(C)[*:1])c(Cl)c1
CC(=O)NCC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 CC(=O)NC[*:1] CN(C(=O)c1ccc(cc1Cl)NC(=O)[*:1])C1CCCCC1
O[C@H](c1ccoc1)[C@@H]1CCc2cccnc21 c1cc(co1)[*:1] O[C@H]([C@@H]1CCc2cccnc21)[*:1]
CCCC[NH+]1COc2c(c3c(C(C)=O)c(C)oc3c3ccccc23)C1 CC(=O)[*:1] CCCC[NH+]1COc2c(C1)c1c(c(C)oc1c1ccccc21)[*:1]
CCCC[NH+]1COc2c(c3c(C(C)=O)c(C)oc3c3ccccc23)C1 CCC[*:1] CC(=O)c1c(C)oc2c1c1C[NH+](COc1c1ccccc12)C[*:1]
CCCC[NH+]1COc2c(c3c(C(C)=O)c(C)oc3c3ccccc23)C1 CCCC[*:1] CC(=O)c1c(C)oc2c1c1C[NH+](COc1c1ccccc12)[*:1]
C[C@H]1CN(Cc2cccc(CNC(=O)c3nccn4ccnc34)c2)CCO1 C[C@H]1CN(CCO1)C[*:1] O=C(NCc1cccc(c1)[*:1])c1nccn2ccnc12
C[C@H]1CN(Cc2cccc(CNC(=O)c3nccn4ccnc34)c2)CCO1 c1cn2ccnc2c(n1)[*:1] C[C@H]1CN(CCO1)Cc1cccc(c1)CNC(=O)[*:1]
Cc1cccc(NC(=O)O/N=C(\N)C(c2ccccc2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)O/N=C(\N)C(c1ccccc1)[*:1]
Cc1cccc(NC(=O)O/N=C(\N)C(c2ccccc2)c2ccccc2)c1 Cc1cccc(c1)[*:1] N/C(=N\OC(=O)N[*:1])C(c1ccccc1)c1ccccc1
CNC(=O)c1ccccc1NC(=O)[C@H]1CC[NH2+][C@H]1C CNC(=O)[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1[*:1]
CCNC(=O)C1CCN(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 CCNC(=O)[*:1] O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCC(CC1)[*:1]
CCNC(=O)C1CCN(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 Fc1ccc(cc1)[*:1] CCNC(=O)C1CCN(CC1)C(=O)N[C@H]([C@@H]1CCCO1)[*:1]
C[C@H]([NH2+][C@@H]1CCN(C)C1)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+][C@@H]1CCN(C)C1)[C@@H](C)[*:1]
CC[NH2+][C@@H](CC[C@@H]1Cc2ccccc2S1)c1ccccc1 c1ccc(cc1)[*:1] CC[NH2+][C@@H](CC[C@@H]1Cc2ccccc2S1)[*:1]
Cc1cc([N+](=O)[O-])cnc1N[C@H](C)Cn1cncn1 c1ncn(n1)[*:1] Cc1cc(cnc1N[C@H](C)C[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1N[C@H](C)Cn1cncn1 O=[N+]([O-])[*:1] Cc1cc(cnc1N[C@H](C)Cn1cncn1)[*:1]
Cc1cc([N+](=O)[O-])cnc1N[C@H](C)Cn1cncn1 c1ncn(C[*:1])n1 Cc1cc(cnc1N[C@H](C)[*:1])[N+](=O)[O-]
FC(F)(F)Oc1ccc(-n2nncc2CCl)cc1 FC(F)(F)[*:1] ClCc1cnnn1-c1ccc(cc1)O[*:1]
FC(F)(F)Oc1ccc(-n2nncc2CCl)cc1 FC(F)(F)O[*:1] ClCc1cnnn1-c1ccc(cc1)[*:1]
Cc1cnc(CNC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)s1 Cc1cnc(s1)[*:1] O=C(NC[*:1])Nc1cccc(c1)CC[NH+]1CCCC1
Cc1cnc(CNC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)s1 Cc1cnc(C[*:1])s1 O=C(Nc1cccc(c1)CC[NH+]1CCCC1)N[*:1]
O=C(CCCc1cc(Cl)sc1Cl)N1C[C@H]2CC=CC[C@H]2C1 Clc1cc(c(Cl)s1)[*:1] O=C(CCC[*:1])N1C[C@H]2CC=CC[C@H]2C1
COc1ccc(OC)c(-c2ccc(C(=O)NCc3cccc(F)c3)c(N3CC[NH+](C)CC3)n2)c1 COc1ccc(OC)c(c1)[*:1] C[NH+]1CCN(CC1)c1nc(ccc1C(=O)NCc1cccc(F)c1)[*:1]
COc1ccc(OC)c(-c2ccc(C(=O)NCc3cccc(F)c3)c(N3CC[NH+](C)CC3)n2)c1 Fc1cccc(c1)C[*:1] COc1ccc(OC)c(c1)-c1ccc(C(=O)N[*:1])c(n1)N1CC[NH+](C)CC1
COc1ccc(OC)c(-c2ccc(C(=O)NCc3cccc(F)c3)c(N3CC[NH+](C)CC3)n2)c1 Fc1cccc(c1)[*:1] COc1ccc(OC)c(c1)-c1ccc(C(=O)NC[*:1])c(n1)N1CC[NH+](C)CC1
COc1ccc(OC)c(-c2ccc(C(=O)NCc3cccc(F)c3)c(N3CC[NH+](C)CC3)n2)c1 O=C(NCc1cccc(F)c1)[*:1] COc1ccc(OC)c(c1)-c1ccc(c(n1)N1CC[NH+](C)CC1)[*:1]
COC(=O)c1ccc(OC)cc1OCc1nc(C)no1 COC(=O)[*:1] COc1ccc(c(c1)OCc1nc(C)no1)[*:1]
COC(=O)c1ccc(OC)cc1OCc1nc(C)no1 Cc1noc(n1)[*:1] COC(=O)c1ccc(cc1OC[*:1])OC
Cc1cc(C)c(S(=O)(=O)N2CCC(c3noc(-c4ccc(Cl)cc4)n3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=S(=O)(N1CCC(CC1)c1noc(n1)-c1ccc(Cl)cc1)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(c3noc(-c4ccc(Cl)cc4)n3)CC2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)c1noc(n1)[*:1]
C/[NH+]=C(/NCc1cccc(N(C)C)c1)N[C@H]1CC[C@H](SC)C1 CN(C)[*:1] C/[NH+]=C(/NCc1cccc(c1)[*:1])N[C@H]1CC[C@@H](C1)SC
CC[C@](C)([NH3+])C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 O=C([O-])[*:1] CC[C@](C)([NH3+])C(=O)Nc1cc(cc(c1)[*:1])C(=O)[O-]
CC(C)[C@H](NC(=O)/C=C/c1cccs1)c1nc2ccccc2[nH]1 c1csc(c1)[*:1] CC(C)[C@H](NC(=O)C=C[*:1])c1nc2ccccc2[nH]1
CC(C)[C@H](NC(=O)/C=C/c1cccs1)c1nc2ccccc2[nH]1 C(=C[*:1])c1cccs1 CC(C)[C@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
CC(C)[C@H](NC(=O)/C=C/c1cccs1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(/C=C/c1cccs1)N[C@H](c1nc2ccccc2[nH]1)[*:1]
O=C(CCCn1ccnn1)N1CCO[C@H](c2ccco2)C1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CCO[C@@H](C1)c1ccco1
O=C(CCCn1ccnn1)N1CCO[C@H](c2ccco2)C1 c1coc(c1)[*:1] O=C(CCCn1ccnn1)N1CCO[C@H](C1)[*:1]
O=C(CCCn1ccnn1)N1CCO[C@H](c2ccco2)C1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCO[C@@H](C1)c1ccco1
O=C(CCCn1ccnn1)N1CCO[C@H](c2ccco2)C1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCO[C@@H](C1)c1ccco1
COc1cc(/C=C(/C[NH2+]C2CC2)C(C)C)cc(OC)c1 CC(C)[*:1] COc1cc(/C=C(/C[NH2+]C2CC2)[*:1])cc(c1)OC
COc1cc(/C=C(/C[NH2+]C2CC2)C(C)C)cc(OC)c1 C1CC1[*:1] COc1cc(/C=C(/C[NH2+][*:1])C(C)C)cc(c1)OC
C[C@@]1(C(=O)NCCCO)CCCO1 OCCC[*:1] C[C@]1(CCCO1)C(=O)N[*:1]
C[C@@]1(C(=O)NCCCO)CCCO1 OCC[*:1] C[C@]1(CCCO1)C(=O)NC[*:1]
CCNc1ncc(S(=O)(=O)N[C@H]2CCCC2(C)C)cc1Cl CCN[*:1] CC1(C)CCC[C@@H]1NS(=O)(=O)c1cnc(c(Cl)c1)[*:1]
COC(=O)CCCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1ccc(SC)cc1 COC(=O)CC[*:1] CSc1ccc(cc1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)C[*:1]
COC(=O)CCCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1ccc(SC)cc1 COC(=O)[*:1] CSc1ccc(cc1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)CCC[*:1]
COC(=O)CCCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1ccc(SC)cc1 CSc1ccc(cc1)[*:1] COC(=O)CCCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1[*:1]
COC(=O)CCCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1ccc(SC)cc1 COC(=O)CCC[*:1] CSc1ccc(cc1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
COC(=O)CCCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1ccc(SC)cc1 COC(=O)C[*:1] CSc1ccc(cc1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)CC[*:1]
CCCC[C@@H](Cc1nc(-c2ccccc2)cs1)[NH2+]C CCCC[*:1] C[NH2+][C@H](Cc1nc(cs1)-c1ccccc1)[*:1]
CCCC[C@@H](Cc1nc(-c2ccccc2)cs1)[NH2+]C CCC[*:1] C[NH2+][C@H](Cc1nc(cs1)-c1ccccc1)C[*:1]
CCCC[C@@H](Cc1nc(-c2ccccc2)cs1)[NH2+]C c1ccc(cc1)[*:1] CCCC[C@@H](Cc1nc(cs1)[*:1])[NH2+]C
O=C(NC1CC1)[C@H](Nc1cccc(I)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC1CC1)[C@H](Nc1cccc(I)c1)[*:1]
O=C(NC1CC1)[C@H](Nc1cccc(I)c1)c1ccc(F)cc1 Ic1cccc(c1)[*:1] O=C(NC1CC1)[C@H](N[*:1])c1ccc(F)cc1
O=C(NC1CC1)[C@H](Nc1cccc(I)c1)c1ccc(F)cc1 C1CC1[*:1] O=C(N[*:1])[C@H](Nc1cccc(I)c1)c1ccc(F)cc1
O=C(NC1CC1)[C@H](Nc1cccc(I)c1)c1ccc(F)cc1 O=C(NC1CC1)[*:1] Fc1ccc(cc1)[C@@H](Nc1cccc(I)c1)[*:1]
C[C@](NC(=O)c1c(F)cccc1F)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](NC(=O)c1c(F)cccc1F)(C(=O)[O-])[*:1]
Cc1ccccc1C(=O)NCC(=O)N[C@@H](C)c1cc2ccccc2o1 Cc1ccccc1[*:1] C[C@H](NC(=O)CNC(=O)[*:1])c1cc2ccccc2o1
CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)C2=O c1ccc(cc1)[*:1] CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC(=O)Nc1ccc(Cl)cc1C(=O)[*:1])C2=O
CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)C2=O O=C(c1ccccc1)[*:1] CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC(=O)Nc1ccc(Cl)cc1[*:1])C2=O
COc1ccc(Nc2nc(Cl)cc(N)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)Nc1nc(Cl)cc(N)c1[*:1]
CC[NH+]1CCc2c(cccc2-n2nnc(C(=O)NC3CC3)c2C)C1 C1CC1[*:1] CC[NH+]1CCc2c(cccc2-n2nnc(C(=O)N[*:1])c2C)C1
CC[NH+]1CCc2c(cccc2-n2nnc(C(=O)NC3CC3)c2C)C1 O=C(NC1CC1)[*:1] CC[NH+]1CCc2c(cccc2-n2nnc(c2C)[*:1])C1
CCC([NH3+])(CC)C(=O)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CCC([NH3+])(CC)C(=O)N1CCO[C@H](C1)[*:1]
COC[C@@H]([NH2+]C[C@@]1(O)CCOC1)C(C)C COC[*:1] CC(C)[C@H]([NH2+]C[C@@]1(O)CCOC1)[*:1]
COC[C@@H]([NH2+]C[C@@]1(O)CCOC1)C(C)C CC(C)[*:1] COC[C@@H]([NH2+]C[C@@]1(O)CCOC1)[*:1]
CNC(=O)c1cccc(NCc2cc(=O)oc3ccc4ccccc4c23)c1 CNC(=O)[*:1] O=c1cc(CNc2cccc(c2)[*:1])c2c(ccc3ccccc32)o1
N#C[C@H]1c2ccccc2C(=O)N1C1CC1 C1CC1[*:1] N#C[C@H]1c2ccccc2C(=O)N1[*:1]
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)CCn3cnc4c(C)cccc4c3=O)c2)c1 Cc1cccc(c1)[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)NCc1cccc(c1)NC(=O)N[*:1]
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)CCn3cnc4c(C)cccc4c3=O)c2)c1 Cc1cccc(c1)NC(=O)N[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)NCc1cccc(c1)[*:1]
CCC(C)(C)C(=O)Nc1nc(C)cc(C)n1 CCC(C)(C)[*:1] Cc1cc(C)nc(n1)NC(=O)[*:1]
Cc1nc2cc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)ccc2o1 FC(F)(F)[*:1] Cc1nc2cc(ccc2o1)NC(=O)Cn1c(nc2ccccc21)[*:1]
O=C1NC(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1NC(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1C[*:1]
O=C1NC(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1NC(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1[*:1]
COC(=O)C[C@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)c1cccs1 COC(=O)C[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)N[C@H](c1cccs1)[*:1]
COC(=O)C[C@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)c1cccs1 COC(=O)[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)N[C@@H](C[*:1])c1cccs1
COC(=O)C[C@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)c1cccs1 c1csc(c1)[*:1] COC(=O)C[C@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)[*:1]
COc1cc([C@@H]2CC(O)=Nc3c(C(=O)[O-])cn(-c4ccc(Cl)cc4)c32)cc(OC)c1O Clc1ccc(cc1)[*:1] COc1cc(cc(OC)c1O)[C@@H]1CC(O)=Nc2c(cn(c21)[*:1])C(=O)[O-]
COc1cc([C@@H]2CC(O)=Nc3c(C(=O)[O-])cn(-c4ccc(Cl)cc4)c32)cc(OC)c1O O=C([O-])[*:1] COc1cc(cc(OC)c1O)[C@@H]1CC(O)=Nc2c(cn(-c3ccc(Cl)cc3)c21)[*:1]
N#CCCN(C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])C1CC1 N#CC[*:1] O=C([O-])[C@H]1CCCCC[C@@H]1NC(=O)N(C[*:1])C1CC1
N#CCCN(C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])C1CC1 O=C([O-])[*:1] N#CCCN(C(=O)N[C@H]1CCCCC[C@H]1[*:1])C1CC1
N#CCCN(C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])C1CC1 C1CC1[*:1] N#CCCN(C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])[*:1]
N#CCCN(C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])C1CC1 N#CCC[*:1] O=C([O-])[C@H]1CCCCC[C@@H]1NC(=O)N(C1CC1)[*:1]
C#CCOC(=O)CCc1c(C)nc(SC)nc1C C#CCOC(=O)[*:1] CSc1nc(C)c(CC[*:1])c(C)n1
C#CCOC(=O)CCc1c(C)nc(SC)nc1C C#CC[*:1] CSc1nc(C)c(CCC(=O)O[*:1])c(C)n1
C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CCc2ccccc21 O=S(=O)(N1CCCCC1)[*:1] C[C@H](OC(=O)c1cccc(c1)[*:1])C(=O)N1CCc2ccccc21
COc1cccc(C[C@H](C2CCN(C(=O)[C@H]3N=NC4=C3CCC4)CC2)N(C)C(=O)c2cccnc2)c1 CN(C(=O)c1cccnc1)[*:1] COc1cccc(c1)C[C@H](C1CCN(CC1)C(=O)[C@H]1N=NC2CCCC=21)[*:1]
COc1cccc(C[C@H](C2CCN(C(=O)[C@H]3N=NC4=C3CCC4)CC2)N(C)C(=O)c2cccnc2)c1 c1cncc(c1)[*:1] COc1cccc(c1)C[C@H](C1CCN(CC1)C(=O)[C@H]1N=NC2CCCC=21)N(C)C(=O)[*:1]
COc1cccc(C[C@H](C2CCN(C(=O)[C@H]3N=NC4=C3CCC4)CC2)N(C)C(=O)c2cccnc2)c1 COc1cccc(c1)C[*:1] CN(C(=O)c1cccnc1)[C@@H](C1CCN(CC1)C(=O)[C@H]1N=NC2CCCC=21)[*:1]
COc1cccc(C[C@H](C2CCN(C(=O)[C@H]3N=NC4=C3CCC4)CC2)N(C)C(=O)c2cccnc2)c1 COc1cccc(c1)[*:1] CN(C(=O)c1cccnc1)[C@H](C[*:1])C1CCN(CC1)C(=O)[C@H]1N=NC2CCCC=21
CCOc1ccccc1NC(=O)CNc1c(C)cc(C)cc1C CCO[*:1] Cc1cc(C)c(NCC(=O)Nc2ccccc2[*:1])c(C)c1
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1nc(Cl)ccc1Cl Clc1ccc(Cl)c(n1)[*:1] C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[*:1]
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(Cl)ccc1N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1cc(Cl)ccc1N1CCOCC1
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(Cl)ccc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(/C=C/c1ccc(cc1)S(=O)(=O)N1CCOCC1)Nc1cc(Cl)ccc1[*:1]
NC(=O)c1cccc(C(=O)NCc2cc(Br)cs2)c1 Brc1csc(c1)[*:1] NC(=O)c1cccc(c1)C(=O)NC[*:1]
NC(=O)c1cccc(C(=O)NCc2cc(Br)cs2)c1 NC(=O)[*:1] O=C(NCc1cc(Br)cs1)c1cccc(c1)[*:1]
COc1ccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccc(cc1)[*:1])SCC(=O)N1CCCC[C@H]1C
COc1ccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)N1CCCC[C@H]1C
COc1ccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(cc2)[N+](=O)[O-])n1[*:1]
O=C(CCCNC(=O)[C@@H]1COc2ccccc2O1)Nc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(CCCNC(=O)[C@@H]1COc2ccccc2O1)N[*:1]
Cc1cc(C)c(CNC(=O)c2cc(C(N)=O)cs2)c(=O)[nH]1 NC(=O)[*:1] Cc1cc(C)c(CNC(=O)c2cc(cs2)[*:1])c(=O)[nH]1
O=C(Cc1ccsc1)N1CC[C@@H](Nc2ncnc3c2CCC3)C1 c1cc(cs1)C[*:1] O=C(N1CC[C@H](C1)Nc1ncnc2CCCc21)[*:1]
O=C(Cc1ccsc1)N1CC[C@@H](Nc2ncnc3c2CCC3)C1 c1cc(cs1)[*:1] O=C(C[*:1])N1CC[C@H](C1)Nc1ncnc2CCCc21
N#C[C@H](C(=O)c1csc(-c2cccs2)n1)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@H](C(=O)c1csc(n1)-c1cccs1)[*:1]
N#C[C@H](C(=O)c1csc(-c2cccs2)n1)c1ccccn1 c1csc(c1)[*:1] N#C[C@H](C(=O)c1csc(n1)[*:1])c1ccccn1
C[C@@H]([NH2+]CCCc1nc2ccccc2n1C)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] C[C@@H]([NH2+]CCCc1nc2ccccc2n1C)[*:1]
CC[C@@H]1COCCN1C(=O)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] CC[C@@H]1COCCN1C(=O)c1cnc(s1)[*:1]
COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(OC)c1O Fc1cccc(Cl)c1[*:1] COc1cc(/C=C2/SC(=O)N(C[*:1])C2=O)cc(OC)c1O
COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(OC)c1O Fc1cccc(Cl)c1C[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)[*:1])cc(OC)c1O
CCCn1ccc(C[NH2+]CCc2ccc(F)cc2C)c1 CCC[*:1] Cc1cc(F)ccc1CC[NH2+]Cc1ccn(c1)[*:1]
O=C(/C=C/C1CC1)Nc1ccc(S(=O)(=O)NC2CC2)cc1 C1CC1[*:1] O=C(/C=C/C1CC1)Nc1ccc(cc1)S(=O)(=O)N[*:1]
O=C(/C=C/C1CC1)Nc1ccc(S(=O)(=O)NC2CC2)cc1 C(=C[*:1])C1CC1 O=C(Nc1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
O=C(/C=C/C1CC1)Nc1ccc(S(=O)(=O)NC2CC2)cc1 C1CC1[*:1] O=C(C=C[*:1])Nc1ccc(cc1)S(=O)(=O)NC1CC1
O=C(/C=C/C1CC1)Nc1ccc(S(=O)(=O)NC2CC2)cc1 O=S(=O)(NC1CC1)[*:1] O=C(/C=C/C1CC1)Nc1ccc(cc1)[*:1]
CCOCCn1/c(=N/C(=O)Cc2ccc(C)cc2)sc2cc(NC(C)=O)ccc21 Cc1ccc(cc1)C[*:1] CCOCCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)NC(C)=O
CCOCCn1/c(=N/C(=O)Cc2ccc(C)cc2)sc2cc(NC(C)=O)ccc21 CCO[*:1] CC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)Cc1ccc(C)cc1)n2CC[*:1]
CCOCCn1/c(=N/C(=O)Cc2ccc(C)cc2)sc2cc(NC(C)=O)ccc21 CCOC[*:1] CC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)Cc1ccc(C)cc1)n2C[*:1]
CCOCCn1/c(=N/C(=O)Cc2ccc(C)cc2)sc2cc(NC(C)=O)ccc21 CC(=O)N[*:1] CCOCCn1/c(=N/C(=O)Cc2ccc(C)cc2)sc2cc(ccc21)[*:1]
CCOCCn1/c(=N/C(=O)Cc2ccc(C)cc2)sc2cc(NC(C)=O)ccc21 Cc1ccc(cc1)[*:1] CCOCCn1/c(=N/C(=O)C[*:1])sc2cc(ccc21)NC(C)=O
CCOCCn1/c(=N/C(=O)Cc2ccc(C)cc2)sc2cc(NC(C)=O)ccc21 CCOCC[*:1] CC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)Cc1ccc(C)cc1)n2[*:1]
Cc1cnc([C@H](NC(=O)NCCc2nnc3n2CCC3)C2CC2)s1 C1Cc2nnc(n2C1)[*:1] Cc1cnc(s1)[C@H](NC(=O)NCC[*:1])C1CC1
Cc1cnc([C@H](NC(=O)NCCc2nnc3n2CCC3)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H](NC(=O)NCCc1nnc2CCCn21)[*:1]
Cc1cnc([C@H](NC(=O)NCCc2nnc3n2CCC3)C2CC2)s1 Cc1cnc(s1)[*:1] O=C(NCCc1nnc2CCCn21)N[C@H](C1CC1)[*:1]
O=C(N[C@H]1C=C[C@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 O=C([O-])[*:1] O=C(N[C@H]1C=C[C@H](C1)[*:1])c1cccc(c1)C(F)(F)F
O=C(N[C@H]1C=C[C@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(N[C@H]1C=C[C@@H](C1)C(=O)[O-])c1cccc(c1)[*:1]
O=C(OCCOc1ccccc1)c1ccc(-n2cnnn2)cc1 c1ccc(cc1)O[*:1] O=C(OCC[*:1])c1ccc(cc1)-n1cnnn1
O=C(OCCOc1ccccc1)c1ccc(-n2cnnn2)cc1 c1ccc(cc1)[*:1] O=C(OCCO[*:1])c1ccc(cc1)-n1cnnn1
O=C(OCCOc1ccccc1)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(OCCOc1ccccc1)c1ccc(cc1)[*:1]
O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCC[C@H](c2ccccc2)CC1 c1cc2OCCOc2cc1[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC[C@@H](CC1)c1ccccc1
O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCC[C@H](c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)N1CCC[C@H](CC1)[*:1]
CC(C)CNC(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 CC(C)[*:1] O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NC[*:1]
CC(C)CNC(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 CC(C)C[*:1] O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N[*:1]
COc1ccnc(N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)n1 C1CC(CCO1)[*:1] COc1ccnc(n1)N1CC[C@]2(CCCN(C2=O)[*:1])C1
COc1ccnc(N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)n1 COc1ccnc(n1)[*:1] O=C1N(CCC[C@]12CCN(C2)[*:1])C1CCOCC1
Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 Clc1ccc(cc1)[*:1] Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(nc3c12)[*:1]
Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 C1CN(CCO1)[*:1] Cc1c(C)n(CCC[*:1])c2ncn3nc(nc3c12)-c1ccc(Cl)cc1
Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 C1CN(CCO1)C[*:1] Cc1c(C)n(CC[*:1])c2ncn3nc(nc3c12)-c1ccc(Cl)cc1
Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 C1CN(CCO1)CC[*:1] Cc1c(C)n(C[*:1])c2ncn3nc(nc3c12)-c1ccc(Cl)cc1
Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 C(CN1CCOCC1)C[*:1] Cc1c(C)n(c2ncn3nc(nc3c12)-c1ccc(Cl)cc1)[*:1]
C[NH+](C)CCC1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)CC1 C1CC1[*:1] C[NH+](C)CCC1CCN(CC1)C(=O)N[C@@H](c1ccccc1)[*:1]
C[NH+](C)CCC1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)CC1 c1ccc(cc1)[*:1] C[NH+](C)CCC1CCN(CC1)C(=O)N[C@@H](C1CC1)[*:1]
Cc1ccc([S@](=O)CC(=O)NCc2cccc(Cl)c2)nc1 Cc1ccc(nc1)[*:1] O=C(C[S@@](=O)[*:1])NCc1cccc(Cl)c1
Cc1ccc([S@](=O)CC(=O)NCc2cccc(Cl)c2)nc1 Clc1cccc(c1)[*:1] Cc1ccc(nc1)[S@](=O)CC(=O)NC[*:1]
O=C(NCCS(=O)(=O)c1ccccc1)N[C@H]1CC=CCC1 c1ccc(cc1)[*:1] O=C(NCCS(=O)(=O)[*:1])N[C@H]1CC=CCC1
COCC(=O)N/N=C/c1cnn(C)c1 COC[*:1] Cn1cc(/C=N/NC(=O)[*:1])cn1
CN(Cc1ccccc1)C(=O)c1ccc2ncnc(N3CCCCC3)c2c1 C1CCN(CC1)[*:1] CN(Cc1ccccc1)C(=O)c1ccc2ncnc(c2c1)[*:1]
CN(Cc1ccccc1)C(=O)c1ccc2ncnc(N3CCCCC3)c2c1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccc2ncnc(c2c1)N1CCCCC1)[*:1]
CN(Cc1ccccc1)C(=O)c1ccc2ncnc(N3CCCCC3)c2c1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc2ncnc(c2c1)N1CCCCC1
NC(=O)c1ccc(C(=O)NN2Cc3ccccc3C2)nc1 NC(=O)[*:1] O=C(NN1Cc2ccccc2C1)c1ccc(cn1)[*:1]
Cc1cc(C)cc(C(=O)Nc2ccnn2CC(C)C)c1 CC(C)[*:1] Cc1cc(C)cc(c1)C(=O)Nc1ccnn1C[*:1]
Cc1cc(C)cc(C(=O)Nc2ccnn2CC(C)C)c1 CC(C)C[*:1] Cc1cc(C)cc(c1)C(=O)Nc1ccnn1[*:1]
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCN2CCCC2=O)CC1 O=C1CCCN1[*:1] C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC1)C(=O)CC[*:1]
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCN2CCCC2=O)CC1 O=C1CCCN1C[*:1] C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC1)C(=O)C[*:1]
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCN2CCCC2=O)CC1 O=C1CCCN1CC[*:1] C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC1)C(=O)[*:1]
CCC[C@H]1CCC(=O)N(CC2(CS)CCC2)CC1 SCC1(CCC1)[*:1] CCC[C@H]1CCC(=O)N(CC1)C[*:1]
CCC[C@H]1CCC(=O)N(CC2(CS)CCC2)CC1 CCC[*:1] O=C1CC[C@@H](CCN1CC1(CS)CCC1)[*:1]
COc1cccc([C@H](CO)NC(=O)NCCc2ccc(F)cc2)c1 COc1cccc(c1)[*:1] O=C(NCCc1ccc(F)cc1)N[C@@H](CO)[*:1]
COc1cccc([C@H](CO)NC(=O)NCCc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)[C@H](CO)NC(=O)NCC[*:1]
COc1cccc([C@H](CO)NC(=O)NCCc2ccc(F)cc2)c1 Fc1ccc(cc1)C[*:1] COc1cccc(c1)[C@H](CO)NC(=O)NC[*:1]
CC(C)[C@H](C)NC(=O)c1ccc2c(c1)OCCCO2 CC(C)[C@H](C)[*:1] O=C(N[*:1])c1ccc2OCCCOc2c1
CC(C)[C@H](C)NC(=O)c1ccc2c(c1)OCCCO2 CC(C)[*:1] C[C@H](NC(=O)c1ccc2OCCCOc2c1)[*:1]
Cc1n[nH]c(C)c1CNC(=O)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 Cc1n[nH]c(C)c1C[*:1] O=C(N[*:1])c1cn(CC[C@@H]2CCCC[NH2+]2)nn1
Cc1n[nH]c(C)c1CNC(=O)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 Cc1n[nH]c(C)c1[*:1] O=C(NC[*:1])c1cn(CC[C@@H]2CCCC[NH2+]2)nn1
C[C@@H](CC(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2)n1nnc2ccccc21 c1ccc2c(c1)nnn2[*:1] C[C@@H](CC(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2)[*:1]
COc1cccc2cc(C(=O)Nc3nnc(CSc4ccccc4)o3)oc12 c1ccc(cc1)S[*:1] COc1cccc2cc(oc12)C(=O)Nc1nnc(C[*:1])o1
COc1cccc2cc(C(=O)Nc3nnc(CSc4ccccc4)o3)oc12 c1ccc(cc1)[*:1] COc1cccc2cc(oc12)C(=O)Nc1nnc(CS[*:1])o1
COc1cccc2cc(C(=O)Nc3nnc(CSc4ccccc4)o3)oc12 c1ccc(cc1)SC[*:1] COc1cccc2cc(oc12)C(=O)Nc1nnc(o1)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1=O c1ccc(cc1)[*:1] C[C@]1(CC[*:1])NC(=O)N(NC(=O)c2nc(-c3ccccc3)n(n2)-c2ccccc2)C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1=O c1ccc(cc1)C[*:1] C[C@]1(C[*:1])NC(=O)N(NC(=O)c2nc(-c3ccccc3)n(n2)-c2ccccc2)C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1=O c1ccc(cc1)[*:1] C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2nc(n(n2)-c2ccccc2)[*:1])C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1=O c1ccc(cc1)[*:1] C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2nc(-c3ccccc3)n(n2)[*:1])C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1=O c1ccc(cc1)CC[*:1] C[C@@]1(NC(=O)N(NC(=O)c2nc(-c3ccccc3)n(n2)-c2ccccc2)C1=O)[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3oc(C)nc3c2)c1C CCOC(=O)[*:1] Cc1nc2cc(ccc2o1)NC(=O)c1[nH]c(C)c(c1C)[*:1]
CCN(C[C@H]1CCOC1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CCN(C[C@H]1CCOC1)C(=O)[C@H]1CCCCN1C(=O)O[*:1]
CCN(C[C@H]1CCOC1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
CCN(C[C@H]1CCOC1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C C1C[C@@H](CO1)C[*:1] CCN(C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)[*:1]
C=CCNc1ccc(C(=O)N2CCC[C@H](COC)C2)cn1 C=CCN[*:1] COC[C@H]1CCCN(C1)C(=O)c1ccc(nc1)[*:1]
C=CCNc1ccc(C(=O)N2CCC[C@H](COC)C2)cn1 C=CC[*:1] COC[C@H]1CCCN(C1)C(=O)c1ccc(nc1)N[*:1]
C=CCNc1ccc(C(=O)N2CCC[C@H](COC)C2)cn1 COC[*:1] C=CCNc1ccc(cn1)C(=O)N1CCC[C@H](C1)[*:1]
CCC(=O)N[C@H]([NH2+]C[C@H]1CCCO1)C(Cl)(Cl)Cl CCC(=O)N[*:1] ClC(Cl)(Cl)[C@@H]([NH2+]C[C@H]1CCCO1)[*:1]
CCC(=O)N[C@H]([NH2+]C[C@H]1CCCO1)C(Cl)(Cl)Cl C1CO[C@H](C1)[*:1] CCC(=O)N[C@H]([NH2+]C[*:1])C(Cl)(Cl)Cl
CCC(=O)N[C@H]([NH2+]C[C@H]1CCCO1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CCC(=O)N[C@H]([NH2+]C[C@H]1CCCO1)[*:1]
CC[NH+]1CCc2c(cccc2NCc2ncc(-c3ccccc3)s2)C1 c1ccc(cc1)[*:1] CC[NH+]1CCc2c(cccc2NCc2ncc(s2)[*:1])C1
Fc1cc(Br)cc(C[NH2+]C[C@H](Cl)C2CC2)c1 C1CC1[*:1] Fc1cc(Br)cc(c1)C[NH2+]C[C@H](Cl)[*:1]
Fc1cc(Br)cc(C[NH2+]C[C@H](Cl)C2CC2)c1 Cl[C@H](C1CC1)[*:1] Fc1cc(Br)cc(c1)C[NH2+]C[*:1]
Cc1cccnc1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N Cc1cccnc1[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[*:1]
Cc1cccnc1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N N#CC[*:1] Cc1cccnc1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)[*:1]
Cc1cccnc1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N Cc1cccnc1C[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[*:1]
CCCCN(C(=O)c1ccc2nc(C)c(C)nc2c1)[C@H](C)CC CCCC[*:1] CC[C@@H](C)N(C(=O)c1ccc2nc(C)c(C)nc2c1)[*:1]
CCCCN(C(=O)c1ccc2nc(C)c(C)nc2c1)[C@H](C)CC CCC[*:1] CC[C@@H](C)N(C[*:1])C(=O)c1ccc2nc(C)c(C)nc2c1
CCCCN(C(=O)c1ccc2nc(C)c(C)nc2c1)[C@H](C)CC CC[C@@H](C)[*:1] CCCCN(C(=O)c1ccc2nc(C)c(C)nc2c1)[*:1]
COc1ccc([C@@H]2CCN(C(=O)CSc3ccc(F)cc3)C2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1ccc(F)cc1)N1CC[C@H](C1)[*:1]
COc1ccc([C@@H]2CCN(C(=O)CSc3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1CCN(C1)C(=O)CS[*:1]
COc1ccc([C@@H]2CCN(C(=O)CSc3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)S[*:1] COc1ccc(cc1)[C@@H]1CCN(C1)C(=O)C[*:1]
CCOCCN(C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O CCO[*:1] C[C@@H](C(=O)N(C)CC[*:1])N1C(=O)c2ccccc2C1=O
CCOCCN(C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O CCOC[*:1] C[C@@H](C(=O)N(C)C[*:1])N1C(=O)c2ccccc2C1=O
CCOCCN(C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O CCOCC[*:1] C[C@@H](C(=O)N(C)[*:1])N1C(=O)c2ccccc2C1=O
COc1ccc([C@H]2CC(=O)c3cnc(Nc4nc(C)c5ccccc5n4)nc3C2)cc1 COc1ccc(cc1)[*:1] Cc1nc(nc2ccccc12)Nc1ncc2C(=O)C[C@@H](Cc2n1)[*:1]
CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(I)cc2)c1 Ic1ccc(cc1)[*:1] CC[NH+](CC)Cc1cccc(c1)NC(=O)[*:1]
Cc1ccc2c(CN[C@@H](C3CCCC3)C(F)(F)F)cc(=O)oc2c1 FC(F)(F)[*:1] Cc1ccc2c(cc(=O)oc2c1)CN[C@@H](C1CCCC1)[*:1]
Cc1ccc2c(CN[C@@H](C3CCCC3)C(F)(F)F)cc(=O)oc2c1 C1CCC(C1)[*:1] Cc1ccc2c(cc(=O)oc2c1)CN[C@@H](C(F)(F)F)[*:1]
CN(C)c1cccc(C(=O)NNC(=O)NCc2cccs2)c1 CN(C)[*:1] O=C(NCc1cccs1)NNC(=O)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)NNC(=O)NCc2cccs2)c1 c1csc(c1)[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)NC[*:1]
CN(C)c1cccc(C(=O)NNC(=O)NCc2cccs2)c1 c1csc(c1)C[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)N[*:1]
N#C/C(=C/c1ccc2ncccc2c1)c1nnc(N2CCOCC2)n1-c1ccccc1 c1cnc2ccc(cc2c1)[*:1] N#CC(=C[*:1])c1nnc(N2CCOCC2)n1-c1ccccc1
N#C/C(=C/c1ccc2ncccc2c1)c1nnc(N2CCOCC2)n1-c1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C/c1ccc2ncccc2c1)c1nnc(N2CCOCC2)n1[*:1]
N#C/C(=C/c1ccc2ncccc2c1)c1nnc(N2CCOCC2)n1-c1ccccc1 C1CN(CCO1)[*:1] N#C/C(=C/c1ccc2ncccc2c1)c1nnc(n1-c1ccccc1)[*:1]
Oc1cccc(N2CCN(c3ncnc4ccc(F)cc34)CC2)c1 Oc1cccc(c1)[*:1] Fc1ccc2ncnc(c2c1)N1CCN(CC1)[*:1]
COC(=O)[C@H](NC(=O)Nc1ccc(C)cc1C)C(C)C COC(=O)[*:1] Cc1ccc(NC(=O)N[C@H](C(C)C)[*:1])c(C)c1
COC(=O)[C@H](NC(=O)Nc1ccc(C)cc1C)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)Nc1ccc(C)cc1C)[*:1]
Cc1cccc(C(=O)NCC#CCOc2cccc(Br)c2)c1 Cc1cccc(c1)[*:1] O=C(NCC#CCOc1cccc(Br)c1)[*:1]
Cc1cccc(C(=O)NCC#CCOc2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] Cc1cccc(c1)C(=O)NCC#CCO[*:1]
CCS(=O)(=O)N1CCC[C@H](c2cc(Oc3ccc(N(C)C)cc3)cc(C)[nH+]2)C1 CN(C)[*:1] CCS(=O)(=O)N1CCC[C@@H](C1)c1cc(cc(C)[nH+]1)Oc1ccc(cc1)[*:1]
CCS(=O)(=O)N1CCC[C@H](c2cc(Oc3ccc(N(C)C)cc3)cc(C)[nH+]2)C1 CN(C)c1ccc(cc1)[*:1] CCS(=O)(=O)N1CCC[C@@H](C1)c1cc(cc(C)[nH+]1)O[*:1]
O=C(COc1ccc(F)cc1Cl)N[C@@H](CN1CCOCC1)c1ccccc1 C1CN(CCO1)C[*:1] O=C(COc1ccc(F)cc1Cl)N[C@@H](c1ccccc1)[*:1]
O=C(COc1ccc(F)cc1Cl)N[C@@H](CN1CCOCC1)c1ccccc1 Fc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])N[C@@H](CN1CCOCC1)c1ccccc1
O=C(COc1ccc(F)cc1Cl)N[C@@H](CN1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc(F)cc1Cl)N[C@@H](CN1CCOCC1)[*:1]
O=C(COc1ccc(F)cc1Cl)N[C@@H](CN1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] O=C(COc1ccc(F)cc1Cl)N[C@@H](C[*:1])c1ccccc1
O=C(COc1ccc(F)cc1Cl)N[C@@H](CN1CCOCC1)c1ccccc1 Fc1ccc(O[*:1])c(Cl)c1 O=C(C[*:1])N[C@@H](CN1CCOCC1)c1ccccc1
CC[C@@H](C)Cc1c(C)sc2nc(CNc3ccccc3)[nH]c(=O)c12 CC[C@@H](C)C[*:1] Cc1sc2nc(CNc3ccccc3)[nH]c(=O)c2c1[*:1]
CC[C@@H](C)Cc1c(C)sc2nc(CNc3ccccc3)[nH]c(=O)c12 c1ccc(cc1)NC[*:1] CC[C@@H](C)Cc1c(C)sc2nc([nH]c(=O)c12)[*:1]
CC[C@@H](C)Cc1c(C)sc2nc(CNc3ccccc3)[nH]c(=O)c12 c1ccc(cc1)N[*:1] CC[C@@H](C)Cc1c(C)sc2nc(C[*:1])[nH]c(=O)c12
CC[C@@H](C)Cc1c(C)sc2nc(CNc3ccccc3)[nH]c(=O)c12 c1ccc(cc1)[*:1] CC[C@@H](C)Cc1c(C)sc2nc(CN[*:1])[nH]c(=O)c12
C[C@@H](Sc1nncn1C)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nncn1C)C(=O)N(C)[*:1]
C[C@@H](Sc1nncn1C)C(=O)N(C)c1ccccc1 Cn1cnnc1[*:1] C[C@@H](S[*:1])C(=O)N(C)c1ccccc1
COC(=O)[C@H](C)NC(=O)CCc1ccc(F)cc1 COC(=O)[C@H](C)[*:1] O=C(CCc1ccc(F)cc1)N[*:1]
COC(=O)[C@H](C)NC(=O)CCc1ccc(F)cc1 COC(=O)[*:1] C[C@H](NC(=O)CCc1ccc(F)cc1)[*:1]
CCOc1cc(N[C@H]2CCCCC2(C)C)ncn1 CCO[*:1] CC1(C)CCCC[C@@H]1Nc1cc(ncn1)[*:1]
C[C@@H](Oc1cccc(C=O)c1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C[C@@H](Oc1cccc(C=O)c1)C(=O)N[C@H](C)c1nc(cs1)[*:1]
C[C@@H](Oc1cccc(C=O)c1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 O=Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N[C@H](C)c1nc(cs1)-c1ccccc1
C[C@@H](Oc1cccc(C=O)c1)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 O=Cc1cccc(c1)O[*:1] C[C@@H](NC(=O)[C@H](C)[*:1])c1nc(cs1)-c1ccccc1
COc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5C(F)(F)F)n4ccn3n2)cc1 FC(F)(F)c1ccccc1[*:1] COc1ccc(cc1)-c1cc2c3nnc(SCC(=O)N[*:1])n3ccn2n1
COc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5C(F)(F)F)n4ccn3n2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1cc2c3nnc(SCC(=O)Nc4ccccc4[*:1])n3ccn2n1
COc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5C(F)(F)F)n4ccn3n2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc2c3cc(nn3ccn12)[*:1])Nc1ccccc1C(F)(F)F
O=C(Nc1ccccc1O)c1ccc(-n2cccn2)cc1 Oc1ccccc1[*:1] O=C(N[*:1])c1ccc(cc1)-n1cccn1
O=C(Nc1ccccc1O)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=C(Nc1ccccc1O)c1ccc(cc1)[*:1]
Cc1[nH+]c(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)nc2c1CCCN2Cc1ccccn1 c1ccc(nc1)[*:1] Cc1[nH+]c(nc2c1CCCN2C[*:1])C1CCN(CC1)C(=O)C[C@@H]1C=CCC1
Cc1[nH+]c(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)nc2c1CCCN2Cc1ccccn1 c1ccc(C[*:1])nc1 Cc1[nH+]c(nc2c1CCCN2[*:1])C1CCN(CC1)C(=O)C[C@@H]1C=CCC1
N#C[C@H](c1ccccc1)c1ccc(N(CCO)CCO)cc1 c1ccc(cc1)[*:1] N#C[C@H](c1ccc(cc1)N(CCO)CCO)[*:1]
N#C[C@H](c1ccccc1)c1ccc(N(CCO)CCO)cc1 OCCN(CCO)[*:1] N#C[C@H](c1ccccc1)c1ccc(cc1)[*:1]
N#C[C@H](c1ccccc1)c1ccc(N(CCO)CCO)cc1 OCC[*:1] N#C[C@H](c1ccccc1)c1ccc(cc1)N(CCO)[*:1]
O=C(NC[C@H]1COc2ccccc2O1)c1cc(-c2ccco2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1COc2ccccc2O1)c1cc(nn1[*:1])-c1ccco1
O=C(NC[C@H]1COc2ccccc2O1)c1cc(-c2ccco2)nn1-c1ccccc1 c1coc(c1)[*:1] O=C(NC[C@H]1COc2ccccc2O1)c1cc(nn1-c1ccccc1)[*:1]
Cn1cnc(CCNCc2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cn1cnc(CCNCc2ccc(cc2)[*:1])n1
Cn1cnc(CCNCc2ccc([N+](=O)[O-])cc2)n1 Cn1cnc(n1)[*:1] O=[N+]([O-])c1ccc(cc1)CNCC[*:1]
COc1cccc(CNC(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)c1 COc1cccc(c1)C[*:1] Cc1ccc2c(c1)NC1(CCN(CC1)C(=O)N[*:1])c1cccn1-2
COc1cccc(CNC(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)c1 COc1cccc(c1)[*:1] Cc1ccc2c(c1)NC1(CCN(CC1)C(=O)NC[*:1])c1cccn1-2
Cc1nc(-c2cccc(C(=O)NC[C@H](CCO)c3ccccc3)c2)n[nH]1 OCC[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)NC[C@H](c1ccccc1)[*:1]
Cc1nc(-c2cccc(C(=O)NC[C@H](CCO)c3ccccc3)c2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)NC[C@H](CCO)[*:1]
Cc1nc(-c2cccc(C(=O)NC[C@H](CCO)c3ccccc3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(NC[C@H](CCO)c1ccccc1)c1cccc(c1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1nnc(SCc2cccnc2)s1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)cc1C c1cncc(c1)CS[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)cc1C c1cncc(c1)C[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)Nc1nnc(S[*:1])s1
Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)cc1C c1cncc(c1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)Nc1nnc(SC[*:1])s1
C[C@H](NC(=O)Cc1ccccc1OC(F)F)c1cccc(C#N)c1 FC(F)O[*:1] C[C@H](NC(=O)Cc1ccccc1[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)Cc1ccccc1OC(F)F)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)Cc1ccccc1OC(F)F)[*:1]
C[C@H](NC(=O)Cc1ccccc1OC(F)F)c1cccc(C#N)c1 FC(F)[*:1] C[C@H](NC(=O)Cc1ccccc1O[*:1])c1cccc(C#N)c1
COc1ccccc1CN(C)S(=O)(=O)c1ccccc1Br Brc1ccccc1[*:1] COc1ccccc1CN(C)S(=O)(=O)[*:1]
COc1cc(Br)c(C(=O)Cc2ccccc2C)c(OC)c1 Cc1ccccc1[*:1] COc1cc(Br)c(C(=O)C[*:1])c(c1)OC
CC(C)(O)CCNOCc1ccccc1 CC(C)(O)[*:1] c1ccc(cc1)CONCC[*:1]
CC(C)(O)CCNOCc1ccccc1 CC(C)(O)C[*:1] c1ccc(cc1)CONC[*:1]
CC[C@H](NC(=O)CN1C[C@H](C)OC[C@@H]1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)CN1C[C@H](C)OC[C@@H]1C)[*:1]
COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3C)CC2=O)cc1 Cc1cccc(O[*:1])c1C COc1ccc(cc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1CC[*:1]
COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3C)CC2=O)cc1 Cc1cccc(c1C)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1CCO[*:1]
COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3C)CC2=O)cc1 Cc1cccc(OCC[*:1])c1C COc1ccc(cc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3C)CC2=O)cc1 COc1ccc(cc1)[*:1] Cc1cccc(OCCn2c(nc3ccccc32)[C@@H]2CC(=O)N(C2)[*:1])c1C
COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3C)CC2=O)cc1 Cc1cccc(OC[*:1])c1C COc1ccc(cc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
Cc1cccc(-c2noc(C[NH+](C)Cc3ncccc3C(=O)[O-])n2)c1 O=C([O-])[*:1] Cc1cccc(c1)-c1noc(C[NH+](C)Cc2ncccc2[*:1])n1
Cc1cccc(-c2noc(C[NH+](C)Cc3ncccc3C(=O)[O-])n2)c1 Cc1cccc(c1)[*:1] C[NH+](Cc1nc(no1)[*:1])Cc1ncccc1C(=O)[O-]
CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccccn1 O=C(N1CCCCC1)[*:1] CC(C)C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccn1
CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccccn1 CC(C)C[*:1] O=C(c1ccc(cc1)C[NH2+][C@H](c1ccccn1)[*:1])N1CCCCC1
CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)C[C@H]([NH2+]Cc1ccc(cc1)C(=O)N1CCCCC1)[*:1]
CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccccn1 CC(C)[*:1] O=C(c1ccc(cc1)C[NH2+][C@@H](C[*:1])c1ccccn1)N1CCCCC1
Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)NCC(C)C)c2)cc1 CC(C)CNC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)[N-]c1cncc(c1)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)NCC(C)C)c2)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)[N-]c1cncc(c1)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)NCC(C)C)c2)cc1 Cc1ccc(cc1)[*:1] CC(C)CNC(=O)c1cncc(c1)[N-]S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)NCC(C)C)c2)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)[N-]c1cncc(c1)C(=O)N[*:1]
COc1ccccc1/[NH+]=c1\sc(C(C)=O)c(C)n1CCCN1CCOCC1 COc1ccccc1[*:1] CC(=O)c1sc(=[NH+][*:1])n(CCCN2CCOCC2)c1C
COc1ccccc1/[NH+]=c1\sc(C(C)=O)c(C)n1CCCN1CCOCC1 C1CN(CCO1)CC[*:1] COc1ccccc1/[NH+]=c1\sc(C(C)=O)c(C)n1C[*:1]
COc1ccccc1/[NH+]=c1\sc(C(C)=O)c(C)n1CCCN1CCOCC1 C(CN1CCOCC1)C[*:1] COc1ccccc1/[NH+]=c1\sc(C(C)=O)c(C)n1[*:1]
COc1ccccc1/[NH+]=c1\sc(C(C)=O)c(C)n1CCCN1CCOCC1 CC(=O)[*:1] COc1ccccc1/[NH+]=c1\sc(c(C)n1CCCN1CCOCC1)[*:1]
COc1ccccc1/[NH+]=c1\sc(C(C)=O)c(C)n1CCCN1CCOCC1 C1CN(CCO1)C[*:1] COc1ccccc1/[NH+]=c1\sc(C(C)=O)c(C)n1CC[*:1]
COc1ccccc1/[NH+]=c1\sc(C(C)=O)c(C)n1CCCN1CCOCC1 C1CN(CCO1)[*:1] COc1ccccc1/[NH+]=c1\sc(C(C)=O)c(C)n1CCC[*:1]
CC[C@@H](NC(=O)NC1(CC(=O)[O-])CCC1)C(C)C CC(C)[*:1] CC[C@@H](NC(=O)NC1(CCC1)CC(=O)[O-])[*:1]
CC[C@@H](NC(=O)NC1(CC(=O)[O-])CCC1)C(C)C CC[C@@H](C(C)C)[*:1] O=C([O-])CC1(CCC1)NC(=O)N[*:1]
CC[C@@H](NC(=O)NC1(CC(=O)[O-])CCC1)C(C)C O=C([O-])C[*:1] CC[C@@H](NC(=O)NC1(CCC1)[*:1])C(C)C
CC[C@@H](NC(=O)NC1(CC(=O)[O-])CCC1)C(C)C O=C([O-])[*:1] CC[C@@H](NC(=O)NC1(CCC1)C[*:1])C(C)C
CC[C@H](CO)N1CC[NH+](Cc2ccccc2OC)CC1 CC[C@H](CO)[*:1] COc1ccccc1C[NH+]1CCN(CC1)[*:1]
CNc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1cc(C)c(cc1[*:1])S(=O)(=O)N1CCCCC1
COCCOc1cccc(CN2CCN(C(=O)OC)CC2)c1 COC[*:1] COC(=O)N1CCN(CC1)Cc1cccc(c1)OC[*:1]
COCCOc1cccc(CN2CCN(C(=O)OC)CC2)c1 COCC[*:1] COC(=O)N1CCN(CC1)Cc1cccc(c1)O[*:1]
COCCOc1cccc(CN2CCN(C(=O)OC)CC2)c1 COCCO[*:1] COC(=O)N1CCN(CC1)Cc1cccc(c1)[*:1]
CCOc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 CCO[*:1] O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1ccccc1[*:1]
C[C@@H]1CCC[C@@](CCOCCO)(C(=O)[O-])C1 OCCOC[*:1] C[C@@H]1CCC[C@@](C1)(C[*:1])C(=O)[O-]
C[C@@H]1CCC[C@@](CCOCCO)(C(=O)[O-])C1 OCCO[*:1] C[C@@H]1CCC[C@](CC[*:1])(C1)C(=O)[O-]
C[C@@H]1CCC[C@@](CCOCCO)(C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1CCC[C@@](CCOCCO)(C1)[*:1]
C[C@@H]1CCC[C@@](CCOCCO)(C(=O)[O-])C1 OCC[*:1] C[C@@H]1CCC[C@](CCO[*:1])(C1)C(=O)[O-]
CS(=O)(=O)Nc1cc(NC(=O)c2cc3ccccc3o2)ccc1F CS(=O)(=O)N[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1cc2ccccc2o1
C[C@H](C(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](C(=O)c1c(F)c(F)c(F)c(F)c1F)[*:1]
Cc1cc(C)nc(SCC(=O)NCC(C)(C)N2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1cc(C)nc(n1)SCC(=O)NCC(C)(C)[*:1]
CCCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cs1 Cc1cccc(c1C)[*:1] CCCc1cc(cs1)C(=O)N1CCN(CC1)[*:1]
CCCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cs1 CCCc1cc(cs1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)[*:1]
CCCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cs1 CCC[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)c1csc(c1)[*:1]
C[C@H]1C[C@@H]1C(=O)NCCC1CCCCC1 C[C@H]1C[C@H]1[*:1] O=C(NCCC1CCCCC1)[*:1]
CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C([C@@H](C)CC(C)(C)C2)[C@@H]1c1ccccc1 CCOC(=O)[*:1] C[C@H]1CC(C)(C)CC2C(C#N)=C(N)[C@@](C#N)([C@H](C=21)c1ccccc1)[*:1]
CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C([C@@H](C)CC(C)(C)C2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2CC(C)(C)C[C@H](C)C=2[C@H]1[*:1]
COC(=O)c1sc(NC(=O)CCc2c(C)noc2C)nc1C1CC1 Cc1noc(C)c1[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)CC[*:1]
COC(=O)c1sc(NC(=O)CCc2c(C)noc2C)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)CCc1c(C)noc1C
COC(=O)c1sc(NC(=O)CCc2c(C)noc2C)nc1C1CC1 Cc1noc(C)c1C[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)C[*:1]
COC(=O)c1sc(NC(=O)CCc2c(C)noc2C)nc1C1CC1 COC(=O)[*:1] Cc1noc(C)c1CCC(=O)Nc1nc(c(s1)[*:1])C1CC1
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)C(=O)N[C@H](CC(C)C)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)cc1 CC(C)C[*:1] COC(=O)[C@@H](NC(=O)c1ccc(cc1)OC)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)cc1 CC(C)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)c1ccc(cc1)OC
c1ccc(-c2cnc(CNc3nc(C4CC4)ns3)o2)cc1 c1ccc(cc1)[*:1] c1nc(CNc2nc(ns2)C2CC2)oc1[*:1]
c1ccc(-c2cnc(CNc3nc(C4CC4)ns3)o2)cc1 C1CC1[*:1] c1ccc(cc1)-c1cnc(CNc2nc(ns2)[*:1])o1
CCCCn1nc(C(=O)Nc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O CCCC[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)c1nn(c(=O)c2ccccc12)[*:1]
CCCCn1nc(C(=O)Nc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O CCC[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)c1nn(C[*:1])c(=O)c2ccccc12
CCCCn1nc(C(=O)Nc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O c1nnnn1[*:1] CCCCn1nc(C(=O)Nc2ccc(cc2)[*:1])c2ccccc2c1=O
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 CCO[*:1] COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(cc3)[*:1])c21
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 COc1ccccc1[*:1] CCOc1ccc(cc1)-c1n[nH]c2OC(N)=C(C#N)[C@@H](c12)[*:1]
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 CCOc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(c21)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)CCCCO)c1 CC(=O)N(C)[*:1] O=C(CCCCO)Nc1cccc(c1)C[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)CCCCO)c1 CC(=O)N(C)C[*:1] O=C(CCCCO)Nc1cccc(c1)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)CCCCO)c1 OCCC[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)C[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)CCCCO)c1 OCCCC[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)CCCCO)c1 OCC[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)CC[*:1]
CCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)[C@H](C)CS(C)(=O)=O CCO[*:1] C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)[C@H](C)CS(C)(=O)=O FC(F)(F)[*:1] CCOc1ccc(cc1NC(=O)N(C)[C@H](C)CS(C)(=O)=O)[*:1]
CCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCOc1ccc(cc1NC(=O)N(C)[C@H](C)C[*:1])C(F)(F)F
CCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCOc1ccc(cc1NC(=O)N(C)[C@H](C)[*:1])C(F)(F)F
Cc1nc2n(n1)C[C@H](NC(=O)c1ccnc(OC(C)(C)C)c1)CC2 CC(C)(C)O[*:1] Cc1nc2CC[C@H](Cn2n1)NC(=O)c1ccnc(c1)[*:1]
Cc1nc2n(n1)C[C@H](NC(=O)c1ccnc(OC(C)(C)C)c1)CC2 CC(C)(C)[*:1] Cc1nc2CC[C@H](Cn2n1)NC(=O)c1ccnc(c1)O[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCSc2ccccc2)C1 c1ccc(cc1)S[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)NCC[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCSc2ccccc2)C1 c1ccc(cc1)SC[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCSc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)NCCS[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCSc2ccccc2)C1 CC(C)[*:1] O=C(NCCSc1ccccc1)[C@H]1CCCN(C1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCSc2ccccc2)C1 CC(C)C[*:1] O=C(NCCSc1ccccc1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cn1cc([C@H]2C[C@@H](c3ccc4c(c3)OCCO4)Nc3ncnn32)cn1 Cn1cc(cn1)[*:1] c1nc2N[C@@H](C[C@@H](n2n1)[*:1])c1ccc2OCCOc2c1
CCCOc1ccc2cc(C(=O)NNC(=O)c3ccccn3)c(=O)oc2c1 c1ccc(nc1)[*:1] CCCOc1ccc2cc(C(=O)NNC(=O)[*:1])c(=O)oc2c1
CCCOc1ccc2cc(C(=O)NNC(=O)c3ccccn3)c(=O)oc2c1 CCC[*:1] O=C(NNC(=O)c1cc2ccc(cc2oc1=O)O[*:1])c1ccccn1
CCCOc1ccc2cc(C(=O)NNC(=O)c3ccccn3)c(=O)oc2c1 CCCO[*:1] O=C(NNC(=O)c1cc2ccc(cc2oc1=O)[*:1])c1ccccn1
CCC(=O)Nc1nc(-c2ccc3c(c2)N(CC)C(=O)CO3)c(C)s1 CCC(=O)N[*:1] CCN1C(=O)COc2ccc(cc21)-c1nc(sc1C)[*:1]
CCC[C@H]1CN(C(=O)N[C@H](c2ccccn2)C(C)C)CCO1 c1ccc(nc1)[*:1] CCC[C@H]1CN(CCO1)C(=O)N[C@H](C(C)C)[*:1]
CCC[C@H]1CN(C(=O)N[C@H](c2ccccn2)C(C)C)CCO1 CCC[*:1] CC(C)[C@H](NC(=O)N1CCO[C@H](C1)[*:1])c1ccccn1
CCC[C@H]1CN(C(=O)N[C@H](c2ccccn2)C(C)C)CCO1 CC(C)[*:1] CCC[C@H]1CN(CCO1)C(=O)N[C@H](c1ccccn1)[*:1]
CC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 CC(=O)[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1[*:1]
Fc1ccc(OCCN2CCn3c(nnc3-c3ccccc3)C2)cc1 Fc1ccc(cc1)O[*:1] c1ccc(cc1)-c1nnc2CN(CCn21)CC[*:1]
Fc1ccc(OCCN2CCn3c(nnc3-c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)OCCN1CCn2c(C1)nnc2[*:1]
Fc1ccc(OCCN2CCn3c(nnc3-c3ccccc3)C2)cc1 Fc1ccc(cc1)[*:1] c1ccc(cc1)-c1nnc2CN(CCO[*:1])CCn21
CC[C@H](NC(=O)c1cc(Br)c[nH]1)c1cccc([N+](=O)[O-])c1 Brc1c[nH]c(c1)[*:1] CC[C@H](NC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)c1cc(Br)c[nH]1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)c1cc(Br)c[nH]1)c1cccc(c1)[*:1]
Cc1nc(-c2ccc(C3CC3)cc2)sc1C(=O)[O-] O=C([O-])[*:1] Cc1nc(sc1[*:1])-c1ccc(cc1)C1CC1
Cc1nc(-c2ccc(C3CC3)cc2)sc1C(=O)[O-] C1CC1[*:1] Cc1nc(sc1C(=O)[O-])-c1ccc(cc1)[*:1]
O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1ccccc1Br Fc1ccc(cc1)[*:1] O=C(Nc1c2C[S@@](=O)Cc2nn1[*:1])c1ccccc1Br
O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1ccccc1Br Brc1ccccc1[*:1] O=C(Nc1c2C[S@@](=O)Cc2nn1-c1ccc(F)cc1)[*:1]
O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(OCc2ccccc2)no1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(no1)OC[*:1]
O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(OCc2ccccc2)no1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(no1)O[*:1]
C[C@H](NC(=O)N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2)[*:1]
CC[C@@H](C)NC(=O)COc1ncnc2sc3c(c12)CC[C@H](C)C3 CC[C@@H](C)[*:1] C[C@H]1CCc2c(C1)sc1ncnc(OCC(=O)N[*:1])c21
CC[C@@H](C)NC(=O)COc1ncnc2sc3c(c12)CC[C@H](C)C3 CC[C@@H](C)NC(=O)[*:1] C[C@H]1CCc2c(C1)sc1ncnc(OC[*:1])c21
Cc1cc(NC[C@H](C)C[C@@H](C)O)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(nc(n1)[*:1])NC[C@H](C)C[C@@H](C)O
Cc1cc(NC[C@H](C)C[C@@H](C)O)nc(-c2ccccn2)n1 C[C@@H](O)C[*:1] Cc1cc(nc(n1)-c1ccccn1)NC[C@H](C)[*:1]
Cc1cc(NC[C@H](C)C[C@@H](C)O)nc(-c2ccccn2)n1 C[C@@H](O)[*:1] Cc1cc(nc(n1)-c1ccccn1)NC[C@H](C)C[*:1]
O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc2c(c1)OCO2 OCc1ccc(o1)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1ccc2OCOc2c1
Cn1cc(/C=C/C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cn1 Cn1cc(cn1)[*:1] Cn1ccnc1[C@H](NC(=O)C=C[*:1])c1ccc(F)cc1
Cn1cc(/C=C/C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cn1 Fc1ccc(cc1)[*:1] Cn1cc(/C=C/C(=O)N[C@H](c2nccn2C)[*:1])cn1
Cn1cc(/C=C/C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cn1 Cn1ccnc1[*:1] Cn1cc(/C=C/C(=O)N[C@H](c2ccc(F)cc2)[*:1])cn1
Cn1cc(/C=C/C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cn1 Cn1cc(C=C[*:1])cn1 Cn1ccnc1[C@H](NC(=O)[*:1])c1ccc(F)cc1
COC(=O)[C@H](C[NH3+])c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](C[NH3+])[*:1]
COC[C@@H](O)CNC(=O)c1nnn[n-]1 COC[*:1] O=C(NC[C@H](O)[*:1])c1nnn[n-]1
C[C@@H](Cn1cc[nH+]c1)NCc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] C[C@@H](Cn1cc[nH+]c1)NCc1ccc(c(F)c1)[*:1]
CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H]1Nn2c(nnc2-c2ccccc2)S[C@@H]1C(=O)N[*:1]
CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 CCO[*:1] COc1ccc(cc1)NC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1[*:1]
CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H]1Nn2c(nnc2[*:1])S[C@@H]1C(=O)Nc1ccc(cc1)OC
CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 COc1ccc(cc1)NC(=O)[*:1] CCOc1ccc(cc1)[C@@H]1Nn2c(nnc2-c2ccccc2)S[C@H]1[*:1]
CCNC(=O)c1ccc(-c2nc(C[S@@](=O)c3ccc(C)cc3)c(C)o2)cc1 Cc1ccc(cc1)[*:1] CCNC(=O)c1ccc(cc1)-c1nc(C[S@@](=O)[*:1])c(C)o1
CCNC(=O)c1ccc(-c2nc(C[S@@](=O)c3ccc(C)cc3)c(C)o2)cc1 CCNC(=O)[*:1] Cc1ccc(cc1)[S@](=O)Cc1nc(oc1C)-c1ccc(cc1)[*:1]
Cc1noc(-c2ccc(CCl)cc2)c1C(=O)[O-] O=C([O-])[*:1] Cc1noc(-c2ccc(cc2)CCl)c1[*:1]
C[C@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1nnc2ccccn12 C1CC1[*:1] C[C@H](NC(=O)Cc1ccc(cc1)NC(=O)[*:1])c1nnc2ccccn12
C[C@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1nnc2ccccn12 O=C(N[*:1])C1CC1 C[C@H](NC(=O)Cc1ccc(cc1)[*:1])c1nnc2ccccn12
C[C@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] C[C@H](NC(=O)Cc1ccc(cc1)NC(=O)C1CC1)[*:1]
C/C(Cc1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1 c1ccc(cc1)C[*:1] CC(=NNC(=O)COc1ccc(Cl)cc1)[*:1]
C/C(Cc1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1 c1ccc(cc1)[*:1] C/C(C[*:1])=N\NC(=O)COc1ccc(Cl)cc1
C/C(Cc1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C/C(Cc1ccccc1)=N\NC(=O)CO[*:1]
CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCc2c(O)cccc21 C1CO[C@H](C1)[*:1] CCN(C[*:1])C(=O)N[C@@H]1CCc2c(O)cccc21
CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCc2c(O)cccc21 C1CO[C@H](C1)C[*:1] CCN(C(=O)N[C@@H]1CCc2c(O)cccc21)[*:1]
Cn1cc(/C=C2/SC([O-])=N/C2=N\c2cccc(C(F)(F)F)c2)cn1 FC(F)(F)[*:1] Cn1cc(/C=C2/SC([O-])=N/C2=N\c2cccc(c2)[*:1])cn1
Cn1cc(/C=C2/SC([O-])=N/C2=N\c2cccc(C(F)(F)F)c2)cn1 Cn1cc(cn1)[*:1] [O-]C1=N/C(=N\c2cccc(c2)C(F)(F)F)C(=C[*:1])S1
CC(C)(O)CC[NH+](Cc1cccc(F)c1)C1CC1 CC(C)(O)CC[*:1] Fc1cccc(c1)C[NH+](C1CC1)[*:1]
CC(C)(O)CC[NH+](Cc1cccc(F)c1)C1CC1 CC(C)(O)[*:1] Fc1cccc(c1)C[NH+](CC[*:1])C1CC1
CC(C)(O)CC[NH+](Cc1cccc(F)c1)C1CC1 CC(C)(O)C[*:1] Fc1cccc(c1)C[NH+](C[*:1])C1CC1
CC(C)(O)CC[NH+](Cc1cccc(F)c1)C1CC1 C1CC1[*:1] CC(C)(O)CC[NH+](Cc1cccc(F)c1)[*:1]
CC[C@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)CC)c([N+](=O)[O-])c1 CC[C@@H](C)[*:1] CC[C@H](C)NC(=O)c1ccc(C(=O)N[*:1])c(c1)[N+](=O)[O-]
CC[C@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)CC)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)CC)c(c1)[*:1]
CC[C@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)CC)c([N+](=O)[O-])c1 CC[C@H](C)NC(=O)[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1[N+](=O)[O-])[*:1]
CC[C@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)CC)c([N+](=O)[O-])c1 CC[C@@H](C)NC(=O)[*:1] CC[C@H](C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC[C@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)CC)c([N+](=O)[O-])c1 CC[C@H](C)[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
CC(=O)Nc1ccc(C)cc1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 CC(=O)N[*:1] Cc1ccc(c(c1)NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1)[*:1]
COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(Br)c(C)c2)C(C)C)c1 CC(C)[*:1] COc1cc(cc(c1)C(=O)N[C@H](C(=O)Nc1ccc(Br)c(C)c1)[*:1])OC
COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(Br)c(C)c2)C(C)C)c1 Cc1cc(ccc1Br)[*:1] COc1cc(cc(c1)C(=O)N[C@H](C(=O)N[*:1])C(C)C)OC
Cc1nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1nn(c(C)c1[*:1])S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Cc1nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N1CCCCC1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1nn(c(C)c1S(=O)(=O)N1CCCCC1)S(=O)(=O)[*:1]
Cc1nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N1CCCCC1 O=[N+]([O-])[*:1] Cc1nn(c(C)c1S(=O)(=O)N1CCCCC1)S(=O)(=O)c1cccc(c1)[*:1]
Cc1cccc2[nH+]c(CNC(=O)NC(CO)CO)cn12 OCC(CO)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N[*:1]
CCCc1ccc(NC(=O)CSc2nncc3ccccc23)cc1 CCC[*:1] O=C(CSc1nncc2ccccc12)Nc1ccc(cc1)[*:1]
C[NH+](C)CCN(C(=O)c1c(F)cc(OC(F)F)cc1F)C1CCCC1 FC(F)O[*:1] C[NH+](C)CCN(C(=O)c1c(F)cc(cc1F)[*:1])C1CCCC1
C[NH+](C)CCN(C(=O)c1c(F)cc(OC(F)F)cc1F)C1CCCC1 C1CCC(C1)[*:1] C[NH+](C)CCN(C(=O)c1c(F)cc(cc1F)OC(F)F)[*:1]
C[NH+](C)CCN(C(=O)c1c(F)cc(OC(F)F)cc1F)C1CCCC1 FC(F)[*:1] C[NH+](C)CCN(C(=O)c1c(F)cc(cc1F)O[*:1])C1CCCC1
COC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1F Fc1ccc(cc1)[*:1] COC(=O)[C@H](NS(=O)(=O)[*:1])c1ccc(F)cc1F
COC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1F COC(=O)[*:1] O=S(=O)(N[C@H](c1ccc(F)cc1F)[*:1])c1ccc(F)cc1
COC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)[*:1]
COc1ccc([C@H](C)NC(=O)Nc2ccnn2C(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)[C@H](C)NC(=O)Nc1ccnn1[*:1]
CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)c3ccnc(N(C)C)c3)ncc2C1 CN(C)c1cc(ccn1)[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@H]1CCCN1C(=O)[*:1]
CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)c3ccnc(N(C)C)c3)ncc2C1 CN(C)[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@H]1CCCN1C(=O)c1ccnc(c1)[*:1]
Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1CCN(S(C)(=O)=O)CC1 C1CN(CCS1)C[*:1] Cn1c(cc(=O)c(O)c1CN1CCN(CC1)S(C)(=O)=O)[*:1]
Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1CCN(S(C)(=O)=O)CC1 C1CN(CCS1)[*:1] Cn1c(cc(=O)c(O)c1CN1CCN(CC1)S(C)(=O)=O)C[*:1]
CC(C)(C)NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O CC(C)(C)[*:1] O=C(CCn1nc(ccc1=O)-c1ccc(Cl)cc1)N[*:1]
CC(C)(C)NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O Clc1ccc(cc1)[*:1] CC(C)(C)NC(=O)CCn1nc(ccc1=O)[*:1]
CC(C)(C)NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O CC(C)(C)NC(=O)[*:1] O=c1ccc(nn1CC[*:1])-c1ccc(Cl)cc1
CNc1cc[nH+]c(N(C)Cc2ccc(C[NH+](C)C)cc2)n1 C[NH+](C)C[*:1] CNc1cc[nH+]c(n1)N(C)Cc1ccc(cc1)[*:1]
COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)[*:1]
COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(cc1)[*:1]
COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1 COc1ccccc1[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N(Cc1cc2ccccc2[nH]c1=O)[*:1]
NC(=O)NCCc1ccc(Cl)cc1 NC(=O)N[*:1] Clc1ccc(cc1)CC[*:1]
CCOc1c(Br)cc(Cl)cc1NC(=O)c1cc[nH]n1 CCO[*:1] O=C(Nc1cc(Cl)cc(Br)c1[*:1])c1cc[nH]n1
CCOc1c(Br)cc(Cl)cc1NC(=O)c1cc[nH]n1 c1cc(n[nH]1)[*:1] CCOc1c(Br)cc(Cl)cc1NC(=O)[*:1]
C[C@@H](C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1)c1cccs1 c1cnn(c1)[*:1] C[C@@H](C(=O)NCC(=O)Nc1ccc(cc1)[*:1])c1cccs1
C[C@@H](C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)NCC(=O)Nc1ccc(cc1)-n1cccn1)[*:1]
C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1cc(Cl)ccc1Cl c1coc(c1)[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)Nc1cc(Cl)ccc1Cl
C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] C[C@@H](Sc1nnc(o1)-c1ccco1)C(=O)N[*:1]
O=C1CCCC2=C1[C@@H](c1cccc(O)c1)n1nc(SCc3cccc4ccccc34)nc1N2 c1ccc2c(cccc2c1)C[*:1] O=C1CCCC2Nc3nc(nn3[C@@H](C=21)c1cccc(O)c1)S[*:1]
O=C1CCCC2=C1[C@@H](c1cccc(O)c1)n1nc(SCc3cccc4ccccc34)nc1N2 Oc1cccc(c1)[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)[*:1])SCc1cccc2ccccc12
O=C1CCCC2=C1[C@@H](c1cccc(O)c1)n1nc(SCc3cccc4ccccc34)nc1N2 c1ccc2c(cccc2c1)[*:1] O=C1CCCC2Nc3nc(nn3[C@@H](C=21)c1cccc(O)c1)SC[*:1]
COC(=O)c1cc(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)ccc1Br C1CC1[*:1] COC(=O)c1cc(ccc1Br)S(=O)(=O)NC[C@H]1CN(CCO1)[*:1]
COC(=O)c1cc(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)ccc1Br COC(=O)[*:1] O=S(=O)(NC[C@H]1CN(CCO1)C1CC1)c1ccc(Br)c(c1)[*:1]
C[C@@]1(c2ccc(Cl)cc2)C[NH+]=C(N)N1C1CC1 C1CC1[*:1] C[C@]1(C[NH+]=C(N)N1[*:1])c1ccc(Cl)cc1
C[C@@H](O)CN(C[C@@H](C)O)c1ccccc1 C[C@@H](O)[*:1] C[C@@H](O)CN(C[*:1])c1ccccc1
C[C@@H](O)CN(C[C@@H](C)O)c1ccccc1 C[C@@H](O)C[*:1] C[C@@H](O)CN(c1ccccc1)[*:1]
CCc1c(C(=O)N2CCN(c3ccccc3)CC2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)N1CCN(CC1)c1ccccc1
CCc1c(C(=O)N2CCN(c3ccccc3)CC2)[nH]c(C)c1C(C)=O c1ccc(cc1)[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)N1CCN(CC1)[*:1]
O=C(Cn1cccc(C(F)(F)F)c1=O)OC[C@@H]1CC=CCC1 FC(F)(F)[*:1] O=C(Cn1cccc(c1=O)[*:1])OC[C@@H]1CC=CCC1
Cc1cc(C(=O)NCCCCC#N)sc1Br N#CC[*:1] Cc1cc(sc1Br)C(=O)NCCC[*:1]
Cc1cc(C(=O)NCCCCC#N)sc1Br N#CCC[*:1] Cc1cc(sc1Br)C(=O)NCC[*:1]
Cc1cc(C(=O)NCCCCC#N)sc1Br N#CCCC[*:1] Cc1cc(sc1Br)C(=O)NC[*:1]
O=S1(=O)CCc2nc3ccccc3c(-c3ccccc3)c2C1 c1ccc(cc1)[*:1] O=S1(=O)CCc2nc3ccccc3c(c2C1)[*:1]
O=C([O-])CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1 O=C([O-])[*:1] O=C(NCC[*:1])c1cc(cs1)S(=O)(=O)N1CCCCC1
O=C([O-])CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1 O=C([O-])C[*:1] O=C(NC[*:1])c1cc(cs1)S(=O)(=O)N1CCCCC1
O=C([O-])CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1 O=C([O-])CC[*:1] O=C(N[*:1])c1cc(cs1)S(=O)(=O)N1CCCCC1
C[C@H]1CC(C(=O)NNC(=S)Nc2ccc(F)cc2)C[C@H](C)O1 Fc1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NNC(=S)N[*:1]
Brc1ccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)o1 Brc1ccc(o1)[*:1] c1cc2c(cc1-c1noc(n1)[*:1])nnn2C1CCCC1
Brc1ccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)o1 C1CCC(C1)[*:1] Brc1ccc(o1)-c1nc(no1)-c1ccc2c(c1)nnn2[*:1]
CCOC(=O)COc1cccc(NC(=O)c2ccc(I)cc2)c1 CCOC(=O)CO[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(I)cc1
CCOC(=O)COc1cccc(NC(=O)c2ccc(I)cc2)c1 Ic1ccc(cc1)[*:1] CCOC(=O)COc1cccc(c1)NC(=O)[*:1]
CCOC(=O)COc1cccc(NC(=O)c2ccc(I)cc2)c1 CCOC(=O)C[*:1] O=C(Nc1cccc(c1)O[*:1])c1ccc(I)cc1
CCOC(=O)COc1cccc(NC(=O)c2ccc(I)cc2)c1 CCOC(=O)[*:1] O=C(Nc1cccc(c1)OC[*:1])c1ccc(I)cc1
Cc1ccc2sc(NCc3cccnc3)nc2c1C c1cncc(c1)[*:1] Cc1ccc2sc(nc2c1C)NC[*:1]
COCCn1nc(C)c(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c1C N#Cc1cccc(c1)[*:1] COCCn1nc(C)c(NC(=O)N[C@@H](C)[*:1])c1C
COCCn1nc(C)c(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)N[C@@H](C)c1cccc(C#N)c1
COCCn1nc(C)c(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)N[C@@H](C)c1cccc(C#N)c1)[*:1]
COC(=O)c1n[nH]c2cc(O)ccc12 COC(=O)[*:1] Oc1ccc2c(n[nH]c2c1)[*:1]
CC[C@@H](COC)NC(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] CC[C@@H](COC)NC(=O)c1cccc(c1F)[*:1]
CC[C@@H](COC)NC(=O)c1cccc(C(F)(F)F)c1F CC[C@@H](COC)[*:1] O=C(N[*:1])c1cccc(c1F)C(F)(F)F
CC[C@@H](COC)NC(=O)c1cccc(C(F)(F)F)c1F COC[*:1] CC[C@@H](NC(=O)c1cccc(c1F)C(F)(F)F)[*:1]
O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(Cc1cccc(c1)N(C[*:1])C(=O)c1ccco1)N1CCOCC1
O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1)N1CCOCC1 c1ccc(cc1)C[*:1] O=C(Cc1cccc(c1)N(C(=O)c1ccco1)[*:1])N1CCOCC1
O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=C(c1ccco1)N(Cc1ccccc1)c1cccc(c1)[*:1]
O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1)N1CCOCC1 c1coc(c1)[*:1] O=C(Cc1cccc(c1)N(Cc1ccccc1)C(=O)[*:1])N1CCOCC1
O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(c1ccco1)N(Cc1ccccc1)c1cccc(c1)C[*:1]
C[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 Fc1ccc(cc1)[*:1] C[C@H]1CCCN(C1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1 C=CC[*:1] Cc1ccc(cc1)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
CCOc1cc(CNC(=O)CC)ccc1OC(F)F FC(F)[*:1] CCOc1cc(ccc1O[*:1])CNC(=O)CC
CCOc1cc(CNC(=O)CC)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(ccc1[*:1])CNC(=O)CC
CCOc1cc(CNC(=O)CC)ccc1OC(F)F CCC(=O)NC[*:1] CCOc1cc(ccc1OC(F)F)[*:1]
CCOc1cc(CNC(=O)CC)ccc1OC(F)F CCC(=O)N[*:1] CCOc1cc(ccc1OC(F)F)C[*:1]
CCOc1cc(CNC(=O)CC)ccc1OC(F)F CCO[*:1] CCC(=O)NCc1ccc(OC(F)F)c(c1)[*:1]
COc1ccc(CNC(=O)N2CCN(Cc3ccccc3OC)CC2)cn1 COc1ccc(cn1)C[*:1] COc1ccccc1CN1CCN(CC1)C(=O)N[*:1]
COc1ccc(CNC(=O)N2CCN(Cc3ccccc3OC)CC2)cn1 COc1ccccc1C[*:1] COc1ccc(cn1)CNC(=O)N1CCN(CC1)[*:1]
COc1ccc(CNC(=O)N2CCN(Cc3ccccc3OC)CC2)cn1 COc1ccccc1[*:1] COc1ccc(cn1)CNC(=O)N1CCN(CC1)C[*:1]
COc1ccc(CNC(=O)N2CCN(Cc3ccccc3OC)CC2)cn1 COc1ccc(cn1)[*:1] COc1ccccc1CN1CCN(CC1)C(=O)NC[*:1]
COc1ccc(CN(C(=O)c2cc(Br)ccc2F)C2CC2)c(OC)c1 Fc1ccc(Br)cc1[*:1] COc1ccc(CN(C(=O)[*:1])C2CC2)c(c1)OC
COc1ccc(CN(C(=O)c2cc(Br)ccc2F)C2CC2)c(OC)c1 C1CC1[*:1] COc1ccc(CN(C(=O)c2cc(Br)ccc2F)[*:1])c(c1)OC
C[C@H]1CN(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])C[C@H](C)O1 O=C([O-])[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)N[C@@H]1CCCCC[C@H]1[*:1]
COc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1 COc1cccc(c1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N[*:1]
COc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1 O=S(=O)(N1CCCCC1)[*:1] COc1cccc(c1)NC(=O)c1ccc(OC)c(c1)[*:1]
Cc1ccc(C(C)C)cc1OCn1cc(N)cn1 Nc1cnn(c1)[*:1] Cc1ccc(cc1OC[*:1])C(C)C
Cc1ccc(C(C)C)cc1OCn1cc(N)cn1 CC(C)[*:1] Cc1ccc(cc1OCn1cc(N)cn1)[*:1]
CCC[C@@H](CBr)CN1CCO[C@H](C#N)C1 CCC[*:1] N#C[C@@H]1CN(CCO1)C[C@H](CBr)[*:1]
COc1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)N[C@@H](C)c1ccc(C)o1
COc1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)cc1[N+](=O)[O-] Cc1ccc(o1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N[C@@H](C)[*:1]
CNC(=O)COc1ccccc1C[NH2+]C CNC(=O)C[*:1] C[NH2+]Cc1ccccc1O[*:1]
CNC(=O)COc1ccccc1C[NH2+]C CNC(=O)[*:1] C[NH2+]Cc1ccccc1OC[*:1]
COc1ccccc1OCC(=O)NCC1(c2c(F)cccc2Cl)CCOCC1 COc1ccccc1[*:1] O=C(CO[*:1])NCC1(CCOCC1)c1c(F)cccc1Cl
COc1ccccc1OCC(=O)NCC1(c2c(F)cccc2Cl)CCOCC1 Fc1cccc(Cl)c1[*:1] COc1ccccc1OCC(=O)NCC1(CCOCC1)[*:1]
COc1ccccc1OCC(=O)NCC1(c2c(F)cccc2Cl)CCOCC1 COc1ccccc1O[*:1] O=C(C[*:1])NCC1(CCOCC1)c1c(F)cccc1Cl
COc1ccccc1OCCN(C)C(=O)[C@@H](C)n1cccn1 c1cnn(c1)[*:1] COc1ccccc1OCCN(C)C(=O)[C@@H](C)[*:1]
CSCC[C@@H](C(=O)N1CCN(c2nccs2)CC1)N1C(=O)c2ccccc2C1=O c1csc(n1)[*:1] CSCC[C@@H](C(=O)N1CCN(CC1)[*:1])N1C(=O)c2ccccc2C1=O
CSCC[C@@H](C(=O)N1CCN(c2nccs2)CC1)N1C(=O)c2ccccc2C1=O CSCC[*:1] O=C([C@@H](N1C(=O)c2ccccc2C1=O)[*:1])N1CCN(CC1)c1nccs1
CSCC[C@@H](C(=O)N1CCN(c2nccs2)CC1)N1C(=O)c2ccccc2C1=O CSC[*:1] O=C([C@H](C[*:1])N1C(=O)c2ccccc2C1=O)N1CCN(CC1)c1nccs1
Cn1ccc(CNC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] Cn1ccc(c1)CNC(=O)Nc1cc(F)ccc1O[*:1]
Cn1ccc(CNC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c1 Cn1ccc(c1)[*:1] O=C(NC[*:1])Nc1cc(F)ccc1OC[C@@H]1CCCO1
Cn1ccc(CNC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cn1ccc(c1)CNC(=O)Nc1cc(F)ccc1OC[*:1]
Cn1ccc(CNC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] Cn1ccc(c1)CNC(=O)Nc1cc(F)ccc1[*:1]
Cn1ccc(CNC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c1 Cn1ccc(c1)C[*:1] O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N[*:1]
COc1ccc2c(cnn2CCC(=O)NCc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] COc1ccc2c(cnn2CCC(=O)NC[*:1])c1
COc1ccc2c(cnn2CCC(=O)NCc2cccc(Cl)c2)c1 Clc1cccc(c1)C[*:1] COc1ccc2c(cnn2CCC(=O)N[*:1])c1
CCc1noc(-c2ccc(CCNC(=O)Cc3ccc(Cl)cc3)cc2)n1 CCc1noc(n1)[*:1] O=C(Cc1ccc(Cl)cc1)NCCc1ccc(cc1)[*:1]
CCc1noc(-c2ccc(CCNC(=O)Cc3ccc(Cl)cc3)cc2)n1 Clc1ccc(cc1)[*:1] CCc1noc(n1)-c1ccc(cc1)CCNC(=O)C[*:1]
CCc1noc(-c2ccc(CCNC(=O)Cc3ccc(Cl)cc3)cc2)n1 Clc1ccc(cc1)C[*:1] CCc1noc(n1)-c1ccc(cc1)CCNC(=O)[*:1]
Cc1nn(C)c(C)c1OC(=O)Cc1nc(-c2cccs2)oc1C c1csc(c1)[*:1] Cc1nn(C)c(C)c1OC(=O)Cc1nc(oc1C)[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1cccs1)C1CC1 CCS(=O)(=O)C[*:1] C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1cccs1)C1CC1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])[NH2+][C@H](c1cccs1)C1CC1
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1cccs1)C1CC1 C1CC1[*:1] CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1cccs1)[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1cccs1)C1CC1 c1csc(c1)[*:1] CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C1CC1)[*:1]
C[NH+](C)CCn1cnc2c(c1=[NH2+])[C@@H](c1ccccc1)c1ccc(O)cc1O2 c1ccc(cc1)[*:1] C[NH+](C)CCn1cnc2Oc3cc(O)ccc3[C@H](c2c1=[NH2+])[*:1]
CCCOCCO[C@H]1CCCC(C)(C)[C@H]1[NH3+] CCCO[*:1] CC1(C)CCC[C@H](OCC[*:1])[C@@H]1[NH3+]
CCCOCCO[C@H]1CCCC(C)(C)[C@H]1[NH3+] CCCOC[*:1] CC1(C)CCC[C@H](OC[*:1])[C@@H]1[NH3+]
CCCOCCO[C@H]1CCCC(C)(C)[C@H]1[NH3+] CCC[*:1] CC1(C)CCC[C@H](OCCO[*:1])[C@@H]1[NH3+]
O=C(Nc1ccc(Br)cn1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 Fc1ccc(cc1Cl)[*:1] O=C(Nc1ccc(Br)cn1)c1cccc(c1)[N-]S(=O)(=O)[*:1]
O=C(Nc1ccc(Br)cn1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 Brc1ccc(nc1)[*:1] O=C(N[*:1])c1cccc(c1)[N-]S(=O)(=O)c1ccc(F)c(Cl)c1
Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl O=S(=O)(N1CCCCC1)[*:1] Cc1ccccc1CNC(=O)c1cc(ccc1Cl)[*:1]
Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl Cc1ccccc1C[*:1] O=C(N[*:1])c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl Cc1ccccc1[*:1] O=C(NC[*:1])c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
CCc1ccc(-c2[nH+]ccn2[C@H]2CCCN(c3ncccn3)C2)cc1 CCc1ccc(cc1)[*:1] c1cnc(nc1)N1CCC[C@@H](C1)n1cc[nH+]c1[*:1]
CCc1ccc(-c2[nH+]ccn2[C@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] CCc1ccc(cc1)-c1[nH+]ccn1[C@H]1CCCN(C1)[*:1]
C=CCNC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 C=CCNC(=O)C[*:1] c1ccc(cc1)-c1nc(S[*:1])c2ccccc2n1
C=CCNC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] C=CCNC(=O)CSc1nc(nc2ccccc12)[*:1]
C=CCNC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 C=CCNC(=O)CS[*:1] c1ccc(cc1)-c1nc(c2ccccc2n1)[*:1]
C=CCNC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 C=CCNC(=O)[*:1] c1ccc(cc1)-c1nc(SC[*:1])c2ccccc2n1
C=CCNC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 C=CC[*:1] O=C(CSc1nc(nc2ccccc12)-c1ccccc1)N[*:1]
CCCn1cc[nH+]c1C[C@@H]([NH2+]CC)c1ccc(Br)cc1 CCC[*:1] CC[NH2+][C@H](Cc1[nH+]ccn1[*:1])c1ccc(Br)cc1
COC(=O)c1sc(N(C)[C@H](C)[C@H]2Cc3ccccc3O2)nc1Cl COC(=O)[*:1] C[C@H]([C@H]1Cc2ccccc2O1)N(C)c1nc(Cl)c(s1)[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC[S@@](=O)C(C)(C)C2)c1 C[C@H]1C[C@H]1C(=O)N[*:1] CC1(C)CN(CC[S@]1=O)C(=O)c1cccc(c1)[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC[S@@](=O)C(C)(C)C2)c1 C[C@H]1C[C@@H]1[*:1] CC1(C)CN(CC[S@]1=O)C(=O)c1cccc(c1)NC(=O)[*:1]
COC(=O)Nc1nc(CC(=O)Nc2ccccc2C)cs1 COC(=O)N[*:1] Cc1ccccc1NC(=O)Cc1csc(n1)[*:1]
COC(=O)Nc1nc(CC(=O)Nc2ccccc2C)cs1 Cc1ccccc1[*:1] COC(=O)Nc1nc(cs1)CC(=O)N[*:1]
Cc1cc(C)nc(SCC(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)n1 Cc1cc(C)nc(n1)S[*:1] O=C(C[*:1])N[C@H]1CC2(CCOCC2)Oc2ccccc21
Cc1cc(C)nc(SCC(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)n1 Cc1cc(C)nc(n1)[*:1] O=C(CS[*:1])N[C@H]1CC2(CCOCC2)Oc2ccccc21
Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1N(CN2CCOCC2)c2ccccc2[C@]1(O)CC(=O)[*:1]
Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)c(C)c1 C1CN(CCO1)C[*:1] Cc1ccc(C(=O)C[C@]2(O)C(=O)N(c3ccccc32)[*:1])c(C)c1
Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)c(C)c1 C1CN(CCO1)[*:1] Cc1ccc(C(=O)C[C@]2(O)C(=O)N(C[*:1])c3ccccc32)c(C)c1
C[C@H](CC#N)N(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 N#CC[*:1] C[C@H](N(C)C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)[*:1]
C[C@H](CC#N)N(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] C[C@H](CC#N)N(C)C(=O)Nc1ccc(cc1)[*:1]
O=c1[nH]nc2c3cc(F)ccc3n(Cc3ccccc3F)cc1-2 Fc1ccccc1[*:1] O=c1[nH]nc2-c1cn(C[*:1])c1ccc(F)cc21
CCC[C@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C#N)C1 CCC[*:1] N#Cc1c(NC(=O)c2cccnc2)sc2C[C@H](CCc21)[*:1]
CCC[C@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C#N)C1 c1cncc(c1)[*:1] CCC[C@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
Cc1cncc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccccc2C)c1 Cc1ccccc1[*:1] Cc1cncc(c1)C(=O)O[C@H](C)C(=O)N[C@H](C)[*:1]
Cc1cncc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccccc2C)c1 Cc1cncc(c1)[*:1] Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)[*:1]
C=CCN1C(=O)/C(=C/c2ccccn2)S/C1=N\c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] C=CCN1C(=O)/C(=C/c2ccccn2)S/C1=N\c1ccc(cc1)[*:1]
C=CCN1C(=O)/C(=C/c2ccccn2)S/C1=N\c1ccc(C(=O)[O-])cc1 C=CC[*:1] O=C([O-])c1ccc(cc1)/N=C1\S/C(=C\c2ccccn2)C(=O)N1[*:1]
C=CCN1C(=O)/C(=C/c2ccccn2)S/C1=N\c1ccc(C(=O)[O-])cc1 c1ccc(nc1)[*:1] C=CCN1C(=O)C(=C[*:1])S/C1=N\c1ccc(cc1)C(=O)[O-]
COCc1cccc(CNC(=O)C(=O)Nc2ccc(OC)c(C)c2)c1 COC[*:1] COc1ccc(cc1C)NC(=O)C(=O)NCc1cccc(c1)[*:1]
C[C@H]1c2ccsc2CCN1CC(=O)Nc1nccs1 c1csc(n1)[*:1] C[C@H]1c2ccsc2CCN1CC(=O)N[*:1]
Nc1nc(-c2cccs2)c(CC(=O)[O-])s1 O=C([O-])C[*:1] Nc1nc(-c2cccs2)c(s1)[*:1]
Nc1nc(-c2cccs2)c(CC(=O)[O-])s1 O=C([O-])[*:1] Nc1nc(-c2cccs2)c(C[*:1])s1
Nc1nc(-c2cccs2)c(CC(=O)[O-])s1 c1csc(c1)[*:1] Nc1nc(c(CC(=O)[O-])s1)[*:1]
Cc1nc(CNC(=O)CCN2C(=O)CCc3cc(F)ccc32)c(C)s1 Cc1nc(C[*:1])c(C)s1 O=C(CCN1C(=O)CCc2cc(F)ccc21)N[*:1]
Cc1nc(CNC(=O)CCN2C(=O)CCc3cc(F)ccc32)c(C)s1 Cc1nc(c(C)s1)[*:1] O=C(CCN1C(=O)CCc2cc(F)ccc21)NC[*:1]
CCCOc1ccc(C(=O)OC)cc1Br CCC[*:1] COC(=O)c1ccc(O[*:1])c(Br)c1
CCCOc1ccc(C(=O)OC)cc1Br COC(=O)[*:1] CCCOc1ccc(cc1Br)[*:1]
CCCOc1ccc(C(=O)OC)cc1Br CCCO[*:1] COC(=O)c1ccc(c(Br)c1)[*:1]
CC[C@H](C)N(C)C(=O)N[C@@H](C)CCCO OCCC[*:1] CC[C@H](C)N(C)C(=O)N[C@@H](C)[*:1]
CC[C@H](C)N(C)C(=O)N[C@@H](C)CCCO OCC[*:1] CC[C@H](C)N(C)C(=O)N[C@@H](C)C[*:1]
CC[C@H](C)N(C)C(=O)N[C@@H](C)CCCO CC[C@H](C)[*:1] C[C@@H](CCCO)NC(=O)N(C)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 C1CCC(C1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nn(c(=O)c2ccccc12)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 Clc1ccccc1[*:1] Cc1onc(c1C(=O)NCc1nn(c(=O)c2ccccc12)C1CCCC1)[*:1]
C[C@H](CCNC(=O)Nc1ccc(Oc2cccnc2)nc1)[S@](C)=O c1cncc(c1)O[*:1] C[C@H](CCNC(=O)Nc1ccc(nc1)[*:1])[S@](C)=O
C[C@H](CCNC(=O)Nc1ccc(Oc2cccnc2)nc1)[S@](C)=O c1cncc(c1)[*:1] C[C@H](CCNC(=O)Nc1ccc(nc1)O[*:1])[S@](C)=O
CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC(=O)N1[*:1]
CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC(=O)N1C[*:1]
CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 C[C@H](C#N)[*:1] CCN(C[*:1])C(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1
CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 C[C@H](C#N)C[*:1] CCN(C(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1)[*:1]
Cc1ccc([C@](C)(O)Cc2ccccn2)cc1F c1ccc(nc1)[*:1] Cc1ccc(cc1F)[C@](C)(O)C[*:1]
CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCN(C1)[*:1]
CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2ccccc2)C1 FC(F)(F)[*:1] CN(C(=O)c1ccc(cc1)[*:1])[C@@H]1CCCN(C1)c1ccccc1
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(F)cc1 CN(C)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)NC(=O)Cc1ccc(F)cc1)[*:1]
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CN(C)c1ccc(cc1NC(=O)[*:1])S(=O)(=O)N(C)C
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C)c1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N(C)C
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(F)cc1 CN(C)S(=O)(=O)[*:1] CN(C)c1ccc(cc1NC(=O)Cc1ccc(F)cc1)[*:1]
O=C(C[C@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(C[C@H]1SC(=N[*:1])N(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1
O=C(C[C@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(C[C@H]1S/C(=N\c2ccc(F)cc2)N(C[*:1])C1=O)Nc1ccc(Cl)cc1
O=C(C[C@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C(C[C@H]1S/C(=N\c2ccc(F)cc2)N(C1=O)[*:1])Nc1ccc(Cl)cc1
O=C(C[C@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C[C@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccccc2)C1=O)N[*:1]
O=C(C[C@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] O=C1[C@@H](C[*:1])S/C(=N\c2ccc(F)cc2)N1Cc1ccccc1
C=CCNC(=S)NC(=O)c1cccc(OC(C)C)c1 CC(C)[*:1] C=CCNC(=S)NC(=O)c1cccc(c1)O[*:1]
C=CCNC(=S)NC(=O)c1cccc(OC(C)C)c1 CC(C)O[*:1] C=CCNC(=S)NC(=O)c1cccc(c1)[*:1]
C=CCNC(=S)NC(=O)c1cccc(OC(C)C)c1 C=CC[*:1] CC(C)Oc1cccc(c1)C(=O)NC(=S)N[*:1]
CCOC(=O)[C@H](C)[NH2+]Cc1cc(C)c(F)c(C)c1 CCOC(=O)[*:1] Cc1cc(cc(C)c1F)C[NH2+][C@@H](C)[*:1]
CCOC[C@@H]1CCN(C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 CCOC[*:1] O=C(NCCc1cc(Cl)cc(Cl)c1)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 CCO[*:1] O=C(NCCc1cc(Cl)cc(Cl)c1)N1CC[C@H](C1)C[*:1]
Cc1ccc(C)c2c(C)c(C(=O)O[C@H](C)C(=O)Nc3cccnc3Cl)oc12 Clc1ncccc1[*:1] Cc1ccc(C)c2c(C)c(oc12)C(=O)O[C@H](C)C(=O)N[*:1]
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)OC[*:1]
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)O[*:1]
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)OCc1ccccc1 C1CCC(C1)[*:1] O=C(N[C@@H](C(=O)N[*:1])c1ccccc1)OCc1ccccc1
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)OCc1ccccc1 O=C(NC1CCCC1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])OCc1ccccc1
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)NC1CCCC1)[*:1])OCc1ccccc1
Cc1ccc(C)c(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)OCc1nnc(NC(=O)N[*:1])s1
Cc1ccc(C)c(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Nc1ccc(Cl)cc1)Nc1nnc(CO[*:1])s1
O=C(c1nnc2ccccc2c1[O-])N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(c1nnc2ccccc2c1[O-])N1CCCC[C@@H]1CC[*:1]
O=C(c1nnc2ccccc2c1[O-])N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1nnc2ccccc2c1[O-])N1CCCC[C@@H]1C[*:1]
O=C(c1nnc2ccccc2c1[O-])N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(c1nnc2ccccc2c1[O-])N1CCCC[C@H]1[*:1]
O=C(C1CCCC1)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C1CCCC1)N(Cc1nnc(o1)[*:1])C1CCCC1
O=C(C1CCCC1)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 C1CCC(C1)[*:1] O=C(N(Cc1nnc(o1)-c1ccc(cc1)[N+](=O)[O-])C1CCCC1)[*:1]
O=C(C1CCCC1)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 C1CCC(C1)[*:1] O=C(C1CCCC1)N(Cc1nnc(o1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(C1CCCC1)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 O=[N+]([O-])[*:1] O=C(C1CCCC1)N(Cc1nnc(o1)-c1ccc(cc1)[*:1])C1CCCC1
[NH3+]C[C@@H]1CCCC[C@H]1OCc1ccco1 c1coc(c1)[*:1] [NH3+]C[C@@H]1CCCC[C@H]1OC[*:1]
O=[N+]([O-])c1cc(-c2ccncn2)c([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(-c2ccncn2)c(s1)[*:1]
O=[N+]([O-])c1cc(-c2ccncn2)c([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=[N+]([O-])c1sc(cc1-c1ccncn1)[*:1]
CCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 CCCC[*:1] O=C(Nc1ccc(F)cc1F)c1ccc(cc1)O[*:1]
CCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 CCCCO[*:1] O=C(Nc1ccc(F)cc1F)c1ccc(cc1)[*:1]
CCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 CCC[*:1] O=C(Nc1ccc(F)cc1F)c1ccc(cc1)OC[*:1]
COC(=O)c1ccccc1NC(=O)Nc1ccccc1C(=O)OC COC(=O)[*:1] COC(=O)c1ccccc1NC(=O)Nc1ccccc1[*:1]
CCOc1ccccc1-c1nn(CN2CCSCC2)c(=S)o1 C1CN(CCS1)C[*:1] CCOc1ccccc1-c1nn(c(=S)o1)[*:1]
CCOc1ccccc1-c1nn(CN2CCSCC2)c(=S)o1 C1CN(CCS1)[*:1] CCOc1ccccc1-c1nn(C[*:1])c(=S)o1
CCOc1ccccc1-c1nn(CN2CCSCC2)c(=S)o1 CCO[*:1] S=c1oc(nn1CN1CCSCC1)-c1ccccc1[*:1]
COC(=O)C[C@@H](NC(=O)c1cccc2ncccc12)C1CC1 COC(=O)C[*:1] O=C(N[C@@H](C1CC1)[*:1])c1cccc2ncccc12
COC(=O)C[C@@H](NC(=O)c1cccc2ncccc12)C1CC1 COC(=O)[*:1] O=C(N[C@H](C[*:1])C1CC1)c1cccc2ncccc12
COC(=O)C[C@@H](NC(=O)c1cccc2ncccc12)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)c1cccc2ncccc12)[*:1]
CCSCc1ccnc([N-]S(=O)(=O)c2c(F)cccc2F)c1 CCS[*:1] O=S(=O)([N-]c1cc(ccn1)C[*:1])c1c(F)cccc1F
CCSCc1ccnc([N-]S(=O)(=O)c2c(F)cccc2F)c1 CCSC[*:1] O=S(=O)([N-]c1cc(ccn1)[*:1])c1c(F)cccc1F
COc1cc(C)c(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)cc1OC O=C(N1CCOCC1)[*:1] COc1cc(C)c(cc1OC)NC(=O)CC1(CCCC1)C[*:1]
COc1cc(C)c(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)cc1OC O=C(C[*:1])N1CCOCC1 COc1cc(C)c(cc1OC)NC(=O)CC1(CCCC1)[*:1]
Cc1cc(C)n([C@H](C)C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)N[C@H]1C[C@H](C)N(C1)[*:1]
Cc1cc(C)n([C@H](C)C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)n1 Cc1cc(C)n(n1)[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)[C@@H](C)[*:1]
CCN(CC)C(=O)c1ccc(NCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 CCN(CC)C(=O)[*:1] O=C(CNc1ccc(cc1)[*:1])N1CCC[C@H]2CCCC[C@@H]21
COc1cccc(OCC(=O)N[C@H](C)c2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1cccc(c1)OCC(=O)N[C@H](C)[*:1]
CC[C@H](c1ccccc1)n1c(N)nc2cccnc21 c1ccc(cc1)[*:1] CC[C@H](n1c(N)nc2cccnc21)[*:1]
Cc1ccc(C2=CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C([C@H]1CCS(=O)(=O)C1)N1CC=C(CC1)[*:1]
C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1cnn(c1)[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1
C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1cnn(c1)C[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)[*:1]
C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] C[C@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCc1ccccc1NC(=O)[C@H]1C[C@H]1C C[C@@H]1C[C@@H]1[*:1] CCc1ccccc1NC(=O)[*:1]
CCOc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)Nc1ncc(s1)[N+](=O)[O-]
CCOc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)Nc1ncc(s1)[N+](=O)[O-]
CCOc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1OCC O=[N+]([O-])[*:1] CCOc1ccc(cc1OCC)C(=O)Nc1ncc(s1)[*:1]
O=C(Cc1ccc(-n2cccc2)cc1)Nc1cnn(C[C@@H]2CCCO2)c1 c1ccn(c1)[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1cnn(c1)C[C@@H]1CCCO1
CCCn1nc(C)cc1NC(=O)Nc1ccccc1Cl CCC[*:1] Cc1cc(NC(=O)Nc2ccccc2Cl)n(n1)[*:1]
CO[C@H](C)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 CO[C@H](C)[*:1] O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[*:1]
Cc1ccc(C)c(NC(=O)NCc2cccn2Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)NCc1cccn1C[*:1]
Cc1ccc(C)c(NC(=O)NCc2cccn2Cc2ccccc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCc1cccn1Cc1ccccc1)N[*:1]
Cc1ccc(C)c(NC(=O)NCc2cccn2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)NC(=O)NCc1cccn1[*:1]
Cc1ccc(NS(=O)(=O)CCNC(=O)c2ccccc2C)cc1F Cc1ccc(cc1F)[*:1] Cc1ccccc1C(=O)NCCS(=O)(=O)N[*:1]
Cc1ccc(NS(=O)(=O)CCNC(=O)c2ccccc2C)cc1F Cc1ccccc1[*:1] Cc1ccc(cc1F)NS(=O)(=O)CCNC(=O)[*:1]
C[C@H](CNC(=O)CC1(O)CCCC1)c1ccc(F)c(F)c1 OC1(CCCC1)[*:1] C[C@H](CNC(=O)C[*:1])c1ccc(F)c(F)c1
C[C@H](CNC(=O)CC1(O)CCCC1)c1ccc(F)c(F)c1 OC1(CCCC1)C[*:1] C[C@H](CNC(=O)[*:1])c1ccc(F)c(F)c1
CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CCN(C(=O)CCc1cccc(c1)[N+](=O)[O-])[*:1]
CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H](C)C(C)C CC(C)[*:1] CCN(C(=O)CCc1cccc(c1)[N+](=O)[O-])[C@H](C)[*:1]
CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H](C)C(C)C O=[N+]([O-])[*:1] CCN(C(=O)CCc1cccc(c1)[*:1])[C@H](C)C(C)C
COC(=O)[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2)CCO1 COC(=O)[*:1] Cn1cc(C(=O)N2CCO[C@@H](C2)[*:1])c(n1)-c1ccccc1
COC(=O)[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2)CCO1 c1ccc(cc1)[*:1] COC(=O)[C@@H]1CN(CCO1)C(=O)c1cn(C)nc1[*:1]
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)/N=C(\[O-])CC1CCC1 C1CC(C1)[*:1] Cc1ccc(cc1S(=O)(=O)/N=C(\[O-])C[*:1])C(C)(C)C
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)/N=C(\[O-])CC1CCC1 C1CC(C1)C[*:1] Cc1ccc(cc1S(=O)(=O)/N=C(\[O-])[*:1])C(C)(C)C
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)/N=C(\[O-])CC1CCC1 CC(C)(C)[*:1] Cc1ccc(cc1S(=O)(=O)/N=C(\[O-])CC1CCC1)[*:1]
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@H]2c2ccccc2F)cc1 Fc1ccccc1[*:1] C=CCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@@H]1[*:1]
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@H]2c2ccccc2F)cc1 C=CCO[*:1] O=C(C1=C(O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@H]1c1ccccc1F)c1ccc(cc1)[*:1]
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@H]2c2ccccc2F)cc1 C=CCOc1ccc(cc1)[*:1] O=C1C(O)=C(C(=O)[*:1])[C@H](c2ccccc2F)N1[C@H]1CCS(=O)(=O)C1
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@H]2c2ccccc2F)cc1 C=CC[*:1] O=C(C1=C(O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@H]1c1ccccc1F)c1ccc(cc1)O[*:1]
CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ncccc1OCC(F)(F)F CC(C)[*:1] O=C(NC[C@@H]1CCO[C@H]1[*:1])c1ncccc1OCC(F)(F)F
CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ncccc1OCC(F)(F)F FC(F)(F)C[*:1] CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ncccc1O[*:1]
CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ncccc1OCC(F)(F)F FC(F)(F)[*:1] CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ncccc1OC[*:1]
CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ncccc1OCC(F)(F)F FC(F)(F)CO[*:1] CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ncccc1[*:1]
COc1ccc(NC(=O)CSCC(=O)Nc2ccc(Br)cc2F)cc1 COc1ccc(cc1)[*:1] O=C(CSCC(=O)N[*:1])Nc1ccc(Br)cc1F
COc1ccc(NC(=O)CSCC(=O)Nc2ccc(Br)cc2F)cc1 Fc1cc(Br)ccc1[*:1] COc1ccc(cc1)NC(=O)CSCC(=O)N[*:1]
COc1ccc(C#N)cc1CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O c1ccc(cc1)C[*:1] COc1ccc(C#N)cc1CN1C(=O)N[C@@](C)(C[*:1])C1=O
COc1ccc(C#N)cc1CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O c1ccc(cc1)CC[*:1] COc1ccc(C#N)cc1CN1C(=O)N[C@@](C)(C1=O)[*:1]
COc1ccc(C#N)cc1CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O c1ccc(cc1)[*:1] COc1ccc(C#N)cc1CN1C(=O)N[C@@](C)(CC[*:1])C1=O
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1(c2cccc(F)c2)CCC1 C1CC1[*:1] COc1ccc(cc1NC(=O)C1(CCC1)c1cccc(F)c1)S(=O)(=O)N[*:1]
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1(c2cccc(F)c2)CCC1 O=S(=O)(NC1CC1)[*:1] COc1ccc(cc1NC(=O)C1(CCC1)c1cccc(F)c1)[*:1]
COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1(c2cccc(F)c2)CCC1 Fc1cccc(c1)[*:1] COc1ccc(cc1NC(=O)C1(CCC1)[*:1])S(=O)(=O)NC1CC1
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2ccccc2c1 O=[N+]([O-])[*:1] C[C@@H](Oc1ccccc1[*:1])C(=O)Nc1ccc2ccccc2c1
Cc1occc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 Cc1occc1[*:1] O=C(CSc1nnc(o1)[*:1])Nc1cccc(Cl)c1
Cc1occc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] Cc1occc1-c1nnc(o1)SCC(=O)N[*:1]
Cc1ccc(C(=O)C[C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccccc3)CC2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C([O-])[C@H](C[*:1])[NH+]1CCN(CC1)Cc1ccccc1
Cc1ccc(C(=O)C[C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])[C@H](CC(=O)[*:1])[NH+]1CCN(CC1)Cc1ccccc1
Cc1ccc(C(=O)C[C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
Cc1ccc(C(=O)C[C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C[*:1]
CCCC(=O)N(CC[NH+]1CCOCC1)c1nc2c(CC)cccc2s1 CCC[*:1] CCc1cccc2sc(nc12)N(CC[NH+]1CCOCC1)C(=O)[*:1]
COc1ccc(C)c2sc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(C(C)=O)cc3)nc12 CC(=O)c1ccc(cc1)[*:1] COc1ccc(C)c2sc(nc12)N(CC[NH+]1CCOCC1)C(=O)[*:1]
COc1ccc(C)c2sc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(C(C)=O)cc3)nc12 CC(=O)[*:1] COc1ccc(C)c2sc(nc12)N(CC[NH+]1CCOCC1)C(=O)c1ccc(cc1)[*:1]
COC(=O)/C=c1\s/c(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n1CC(=O)N(C)C Clc1ccc(Cl)c(c1)[*:1] COC(=O)/C=c1\s/c(=C\c2ccc(o2)[*:1])c(=O)n1CC(=O)N(C)C
COC(=O)/C=c1\s/c(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n1CC(=O)N(C)C CN(C)C(=O)[*:1] COC(=O)/C=c1\s/c(=C\c2ccc(o2)-c2cc(Cl)ccc2Cl)c(=O)n1C[*:1]
COC(=O)/C=c1\s/c(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n1CC(=O)N(C)C CN(C)C(=O)C[*:1] COC(=O)/C=c1\s/c(=C\c2ccc(o2)-c2cc(Cl)ccc2Cl)c(=O)n1[*:1]
COC(=O)/C=c1\s/c(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n1CC(=O)N(C)C COC(=O)[*:1] CN(C)C(=O)Cn1c(=O)/c(=C/c2ccc(o2)-c2cc(Cl)ccc2Cl)sc1=C[*:1]
CCCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)o2)c1C CCC[*:1] Cc1cc(C(=O)CSc2nnc(o2)-c2cccnc2)c(C)n1[*:1]
CCCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)o2)c1C c1cncc(c1)[*:1] CCCn1c(C)cc(C(=O)CSc2nnc(o2)[*:1])c1C
CCc1nn(C)cc1C(=O)N[C@H](C)c1ccc(C)o1 Cc1ccc(o1)[*:1] CCc1nn(C)cc1C(=O)N[C@H](C)[*:1]
O=C(NCc1cccnc1)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 c1cncc(c1)[*:1] O=C(NC[*:1])[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
O=C(NCc1cccnc1)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1cccnc1)[C@H]1CC1(c1ccc(Cl)cc1)[*:1]
O=C(NCc1cccnc1)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 c1cncc(c1)C[*:1] O=C(N[*:1])[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
O=S(=O)(c1ccccc1)N1CCO[C@@H](c2nc(Cc3cccs3)no2)C1 c1ccc(cc1)[*:1] O=S(=O)(N1CCO[C@H](C1)c1nc(Cc2cccs2)no1)[*:1]
O=S(=O)(c1ccccc1)N1CCO[C@@H](c2nc(Cc3cccs3)no2)C1 c1csc(c1)C[*:1] O=S(=O)(c1ccccc1)N1CCO[C@H](C1)c1nc(no1)[*:1]
O=S(=O)(c1ccccc1)N1CCO[C@@H](c2nc(Cc3cccs3)no2)C1 c1csc(c1)[*:1] O=S(=O)(c1ccccc1)N1CCO[C@H](C1)c1nc(C[*:1])no1
CNS(=O)(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 c1csc(c1)[*:1] CNS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCC[*:1]
CNS(=O)(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 c1csc(c1)CC[*:1] CNS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CNS(=O)(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 CNS(=O)(=O)[*:1] O=S(=O)(NCCc1cccs1)c1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 c1csc(c1)C[*:1] CNS(=O)(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
Cc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](C)Nc2cccc(Cn3cccn3)c2)c1C c1cnn(c1)C[*:1] Cc1ccc(c(NC(=O)[C@@H](C)Nc2cccc(c2)[*:1])c1C)[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](C)Nc2cccc(Cn3cccn3)c2)c1C O=[N+]([O-])[*:1] Cc1ccc(c(NC(=O)[C@@H](C)Nc2cccc(c2)Cn2cccn2)c1C)[*:1]
Cc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](C)Nc2cccc(Cn3cccn3)c2)c1C c1cnn(c1)[*:1] Cc1ccc(c(NC(=O)[C@@H](C)Nc2cccc(c2)C[*:1])c1C)[N+](=O)[O-]
C[C@@H](C1CC1)N(C)C(=O)NCc1cccc(Cn2cncn2)c1 c1ncn(C[*:1])n1 C[C@@H](C1CC1)N(C)C(=O)NCc1cccc(c1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)NCc1cccc(Cn2cncn2)c1 c1ncn(n1)[*:1] C[C@@H](C1CC1)N(C)C(=O)NCc1cccc(c1)C[*:1]
C[C@@H](C1CC1)N(C)C(=O)NCc1cccc(Cn2cncn2)c1 C1CC1[*:1] C[C@@H](N(C)C(=O)NCc1cccc(c1)Cn1cncn1)[*:1]
COc1ccc(OC)c(N2C[C@H](C(=O)N(C)c3cccc(C)c3C)CC2=O)c1 Cc1cccc(c1C)[*:1] COc1ccc(OC)c(c1)N1C[C@@H](CC1=O)C(=O)N(C)[*:1]
O=C(CC1=N[C@H]2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccc(F)cc1)c1ccc(F)cc1 O=C(C[*:1])c1ccc(F)cc1 O=C(CC1=N[C@H]2NN(C(=O)C2=C1[*:1])c1ccccc1)c1ccc(F)cc1
O=C(CC1=N[C@H]2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CC1=N[C@H]2NN(C(=O)C2=C1CC(=O)[*:1])c1ccccc1)c1ccc(F)cc1
O=C(CC1=N[C@H]2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccc(F)cc1)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=C(CC1=N[C@H]2NN(C(=O)C2=C1C[*:1])c1ccccc1)c1ccc(F)cc1
O=C(CC1=N[C@H]2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccc(F)cc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CC1=N[C@H]2NN(C(=O)C2=C1CC(=O)c1ccc(F)cc1)[*:1])c1ccc(F)cc1
O=C(CC1=N[C@H]2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccc(F)cc1)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=C(CC1C(C[*:1])=N[C@H]2NN(C(=O)C=12)c1ccccc1)c1ccc(F)cc1
O=C(CC1=N[C@H]2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccc(F)cc1)c1ccc(F)cc1 O=C(C[*:1])c1ccc(F)cc1 O=C(CC1C(=N[C@H]2NN(C(=O)C=12)c1ccccc1)[*:1])c1ccc(F)cc1
O=C(CC1=N[C@H]2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CC1C(CC(=O)[*:1])=N[C@H]2NN(C(=O)C=12)c1ccccc1)c1ccc(F)cc1
COc1cc(N2C(=O)CCC2=O)ccc1NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1NC(=O)C[*:1])N1C(=O)CCC1=O
COc1cc(N2C(=O)CCC2=O)ccc1NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1NC(=O)[*:1])N1C(=O)CCC1=O
COc1cc(N2C(=O)CCC2=O)ccc1NC(=O)Cc1ccccc1 O=C1CCC(=O)N1[*:1] COc1cc(ccc1NC(=O)Cc1ccccc1)[*:1]
COc1ccc2nc(N(Cc3cccnc3)C(=O)c3cc(=O)c4ccccc4o3)sc2c1 c1cncc(c1)[*:1] COc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1cc(=O)c2ccccc2o1
COc1ccc2nc(N(Cc3cccnc3)C(=O)c3cc(=O)c4ccccc4o3)sc2c1 c1cncc(c1)C[*:1] COc1ccc2nc(sc2c1)N(C(=O)c1cc(=O)c2ccccc2o1)[*:1]
COc1c(C)cccc1C(=O)N1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1 COc1c(C)cccc1[*:1] O=C(N1CCC[C@H](C1)c1nnc2CC[NH2+]CCn21)[*:1]
CCc1nnc(NC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)s1 c1ccc(cc1)[*:1] CCc1nnc(NC(=O)N2C[C@H](C)O[C@H](C2)[*:1])s1
CCc1nnc(NC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)s1 CCc1nnc(s1)[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)N[*:1]
O=C(NC1CC1)N1CCC(C(=O)N2CCCC2)CC1 C1CC1[*:1] O=C(N[*:1])N1CCC(CC1)C(=O)N1CCCC1
O[C@H](COc1ccccc1)[C@@H]1CCOC2(CCSCC2)C1 c1ccc(cc1)[*:1] O[C@H](CO[*:1])[C@@H]1CCOC2(CCSCC2)C1
O[C@H](COc1ccccc1)[C@@H]1CCOC2(CCSCC2)C1 c1ccc(cc1)O[*:1] O[C@H](C[*:1])[C@@H]1CCOC2(CCSCC2)C1
COc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)C2CCN(CC2)c2ncccn2)c(c1)[*:1]
COc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 c1cnc(nc1)[*:1] COc1ccc(NC(=O)C2CCN(CC2)[*:1])c(c1)[N+](=O)[O-]
O=C(NC(=S)Nc1nccs1)c1cc2ccccc2o1 c1csc(n1)[*:1] O=C(NC(=S)N[*:1])c1cc2ccccc2o1
CC(C)n1c([C@@H]2CCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)nn(C)c1=O c1ccc(cc1)[*:1] CC(C)n1c(nn(C)c1=O)[C@@H]1CCCN(C1)C(=O)CCS(=O)(=O)[*:1]
CC(C)n1c([C@@H]2CCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)nn(C)c1=O CC(C)[*:1] Cn1nc([C@@H]2CCCN(C2)C(=O)CCS(=O)(=O)c2ccccc2)n(c1=O)[*:1]
CC(C)n1c([C@@H]2CCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2)nn(C)c1=O O=S(=O)(c1ccccc1)[*:1] CC(C)n1c(nn(C)c1=O)[C@@H]1CCCN(C1)C(=O)CC[*:1]
COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCCCC1 Fc1ccc(cc1)[*:1] COc1cc(=O)n(nc1C(=O)N1CCCCC1)[*:1]
COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] COc1cc(=O)n(nc1[*:1])-c1ccc(F)cc1
CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 c1ccc(cc1)CS[*:1] CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)SC[*:1]
CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 CCc1ccccc1[*:1] O=C1C[C@H](C(=O)N[*:1])c2c(nc([nH]c2=O)SCc2ccccc2)N1
CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 c1ccc(cc1)C[*:1] CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)S[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(F)c1 CCS[*:1] O=C(Nc1cccc(F)c1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CCNC(=O)CNC(=O)Nc1ccc(COc2ccccc2)cc1 CCNC(=O)[*:1] O=C(NC[*:1])Nc1ccc(cc1)COc1ccccc1
CCNC(=O)CNC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)O[*:1] CCNC(=O)CNC(=O)Nc1ccc(cc1)C[*:1]
CCNC(=O)CNC(=O)Nc1ccc(COc2ccccc2)cc1 CCNC(=O)C[*:1] O=C(Nc1ccc(cc1)COc1ccccc1)N[*:1]
CCNC(=O)CNC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)OC[*:1] CCNC(=O)CNC(=O)Nc1ccc(cc1)[*:1]
CCNC(=O)CNC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)[*:1] CCNC(=O)CNC(=O)Nc1ccc(cc1)CO[*:1]
Cc1cc(C)c(C)c(OCc2nc(C(=O)NCc3ccco3)cs2)c1 c1coc(c1)C[*:1] Cc1cc(C)c(C)c(c1)OCc1nc(cs1)C(=O)N[*:1]
Cc1cc(C)c(C)c(OCc2nc(C(=O)NCc3ccco3)cs2)c1 c1coc(c1)[*:1] Cc1cc(C)c(C)c(c1)OCc1nc(cs1)C(=O)NC[*:1]
Cc1ccccc1C(=O)NCC#CCOc1cccnc1 c1cncc(c1)[*:1] Cc1ccccc1C(=O)NCC#CCO[*:1]
Cc1ccccc1C(=O)NCC#CCOc1cccnc1 c1cncc(c1)O[*:1] Cc1ccccc1C(=O)NCC#CC[*:1]
Cc1ccccc1C(=O)NCC#CCOc1cccnc1 Cc1ccccc1[*:1] O=C(NCC#CCOc1cccnc1)[*:1]
C=CCCCN(C)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 C=CC[*:1] CN(CC[*:1])C(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
C=CCCCN(C)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 C=CCCC[*:1] CN(C(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)[*:1]
C=CCCCN(C)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 C=CCC[*:1] CN(C[*:1])C(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(c1csc(-c2ccnc(N3CCCC3)c2)n1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1csc(n1)-c1ccnc(c1)N1CCCC1)N1CCN(CC1)[*:1]
O=C(c1csc(-c2ccnc(N3CCCC3)c2)n1)N1CCN(c2ccccc2F)CC1 C1CCN(C1)[*:1] O=C(c1csc(n1)-c1ccnc(c1)[*:1])N1CCN(CC1)c1ccccc1F
O=C(NCCCCn1cnnc1)c1cc2ccccc2o1 c1nncn1CC[*:1] O=C(NCC[*:1])c1cc2ccccc2o1
O=C(NCCCCn1cnnc1)c1cc2ccccc2o1 c1nncn1C[*:1] O=C(NCCC[*:1])c1cc2ccccc2o1
O=C(NCCCCn1cnnc1)c1cc2ccccc2o1 c1nncn1[*:1] O=C(NCCCC[*:1])c1cc2ccccc2o1
Cc1ccc(NC(=O)NCc2cnc(C)s2)c(OCC[NH+](C)C)c1 Cc1ncc(C[*:1])s1 Cc1ccc(NC(=O)N[*:1])c(c1)OCC[NH+](C)C
Cc1ccc(NC(=O)NCc2cnc(C)s2)c(OCC[NH+](C)C)c1 Cc1ncc(s1)[*:1] Cc1ccc(NC(=O)NC[*:1])c(c1)OCC[NH+](C)C
CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] CCCc1nc2oc3cc(ccc3c(=O)c2c(=O)n1C[*:1])OC
CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] CCCc1nc2oc3cc(ccc3c(=O)c2c(=O)n1[*:1])OC
CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1 CCC[*:1] COc1ccc2c(=O)c3c(=O)n(Cc4ccccc4)c(nc3oc2c1)[*:1]
CC(C)c1nc(COc2c(F)cc(C(=O)[O-])cc2F)no1 O=C([O-])[*:1] CC(C)c1nc(COc2c(F)cc(cc2F)[*:1])no1
CC(C)c1nc(COc2c(F)cc(C(=O)[O-])cc2F)no1 CC(C)[*:1] O=C([O-])c1cc(F)c(OCc2noc(n2)[*:1])c(F)c1
O=[N+]([O-])c1cccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)c1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)[C@]1(O)CN(C2CCCCC[N+]=21)[*:1]
O=[N+]([O-])c1cccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)c1 O=[N+]([O-])[*:1] O[C@]1(CN(C2CCCCC[N+]=21)c1ccc(Cl)cc1)c1cccc(c1)[*:1]
O=[N+]([O-])c1cccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)c1 O=[N+]([O-])c1cccc(c1)[*:1] O[C@@]1(CN(C2CCCCC[N+]=21)c1ccc(Cl)cc1)[*:1]
CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 CC(C)(C)[*:1] CC[NH2+][C@@H]1CCN(C(=O)O[*:1])[C@H](C)C1
CC(C)C[C@@H]([NH3+])c1nc([C@@]2(C)CCCO2)no1 CC(C)[*:1] C[C@@]1(CCCO1)c1noc(n1)[C@H]([NH3+])C[*:1]
CC(C)C[C@@H]([NH3+])c1nc([C@@]2(C)CCCO2)no1 CC(C)C[*:1] C[C@@]1(CCCO1)c1noc(n1)[C@H]([NH3+])[*:1]
CCO[C@H]1CCCN(C(=O)c2cccc3ccc(C)nc23)C1 CCO[*:1] Cc1ccc2cccc(C(=O)N3CCC[C@@H](C3)[*:1])c2n1
O=C(N[C@H]1CCCc2ccc(F)cc21)N[C@H](CCCO)c1ccccc1 OCCC[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)N[C@H](c1ccccc1)[*:1]
O=C(N[C@H]1CCCc2ccc(F)cc21)N[C@H](CCCO)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)N[C@H](CCCO)[*:1]
O=C(N[C@H]1CCCc2ccc(F)cc21)N[C@H](CCCO)c1ccccc1 OCC[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)N[C@H](C[*:1])c1ccccc1
Cn1cnc([N+](=O)[O-])c1N(CC1CC[NH2+]CC1)C1CC1 O=[N+]([O-])[*:1] Cn1cnc(c1N(CC1CC[NH2+]CC1)C1CC1)[*:1]
Cn1cnc([N+](=O)[O-])c1N(CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] Cn1cnc(c1N(CC1CC[NH2+]CC1)[*:1])[N+](=O)[O-]
Cc1cncc(NC(=O)c2ccccc2SCc2cscn2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])c1ccccc1SCc1cscn1
Cc1cncc(NC(=O)c2ccccc2SCc2cscn2)c1 c1nc(cs1)CS[*:1] Cc1cncc(c1)NC(=O)c1ccccc1[*:1]
Cc1cncc(NC(=O)c2ccccc2SCc2cscn2)c1 c1nc(cs1)C[*:1] Cc1cncc(c1)NC(=O)c1ccccc1S[*:1]
Cc1cncc(NC(=O)c2ccccc2SCc2cscn2)c1 c1nc(cs1)[*:1] Cc1cncc(c1)NC(=O)c1ccccc1SC[*:1]
CCCCOC(=O)Cc1nnc(=O)[nH]c1[O-] CCCC[*:1] O=C(Cc1nnc(=O)[nH]c1[O-])O[*:1]
CCCCOC(=O)Cc1nnc(=O)[nH]c1[O-] CCC[*:1] O=C(Cc1nnc(=O)[nH]c1[O-])OC[*:1]
O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1c[nH]c2ccccc12 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[*:1])c1c[nH]c2ccccc12
O=C(CN1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(c1ccc(cc1)Cn1nnc2ccccc21)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1)N1CCCC1 c1ccc2c(c1)nnn2[*:1] O=C(CN1CCN(CC1)C(=O)c1ccc(cc1)C[*:1])N1CCCC1
O=C(CN1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1)N1CCCC1 c1ccc2c(c1)nnn2C[*:1] O=C(CN1CCN(CC1)C(=O)c1ccc(cc1)[*:1])N1CCCC1
O=C(CN1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(c1ccc(cc1)Cn1nnc2ccccc21)N1CCN(CC1)[*:1]
CC1CCC2(CC1)NC(=O)N(Cc1nnc(-c3ccco3)o1)C2=O c1coc(c1)[*:1] CC1CCC2(CC1)NC(=O)N(Cc1nnc(o1)[*:1])C2=O
CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)o2)cc1 CCS(=O)(=O)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1nnc(o1)-c1ccc(cc1)[*:1]
O=C(/C=C/c1ccc(F)cc1)NNC(=O)c1csc(N2CCOCC2)n1 Fc1ccc(cc1)[*:1] O=C(C=C[*:1])NNC(=O)c1csc(n1)N1CCOCC1
O=C(/C=C/c1ccc(F)cc1)NNC(=O)c1csc(N2CCOCC2)n1 C1CN(CCO1)[*:1] O=C(/C=C/c1ccc(F)cc1)NNC(=O)c1csc(n1)[*:1]
Cc1ccc(NCc2ccnc(-n3ccnc3)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NCc2ccnc(c2)-n2ccnc2)c(c1)[*:1]
Cc1ccc(NCc2ccnc(-n3ccnc3)c2)c([N+](=O)[O-])c1 c1cn(cn1)[*:1] Cc1ccc(NCc2ccnc(c2)[*:1])c(c1)[N+](=O)[O-]
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 CC(=O)[*:1] O=C(CSc1nnc(o1)-c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1ccc(cc1)[N+](=O)[O-])N[*:1]
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 O=[N+]([O-])[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nnc(o1)-c1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nnc(o1)[*:1]
O=[N+]([O-])c1ccccc1Cc1nc(-c2ccc(Br)cc2)no1 O=[N+]([O-])[*:1] Brc1ccc(cc1)-c1noc(Cc2ccccc2[*:1])n1
O=[N+]([O-])c1ccccc1Cc1nc(-c2ccc(Br)cc2)no1 Brc1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1Cc1nc(no1)[*:1]
Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 Clc1ccc(c(Cl)c1)[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)NC(=S)NC(=O)[*:1]
Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 Cc1cccc(c1)C(=O)N[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1Cl
Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 Cc1cccc(c1)[*:1] O=C(NC(=S)Nc1ccc(cc1)NC(=O)[*:1])c1ccc(Cl)cc1Cl
CC(C)c1ccc(/C=C/C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 N#Cc1cccnc1[*:1] CC(C)c1ccc(/C=C/C(=O)N2CCN(CC2)[*:1])cc1
CC(C)c1ccc(/C=C/C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 CC(C)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)/C=C/c1ccc(cc1)[*:1]
CC(C)c1ccc(/C=C/C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 CC(C)c1ccc(cc1)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)C=C[*:1]
Cc1ccc(-c2nc(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)cs2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1nc(cs1)CC(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1ccc(-c2nc(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)cs2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)-c1nc(cs1)CC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(-c2nc(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])Nc1cccc(c1)C(=O)NC1CC1
Cc1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3)nc3c(=O)[nH]cnc32)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nc2c(=O)[nH]cnc21)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3)nc3c(=O)[nH]cnc32)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nc2c(=O)[nH]cnc2n1[*:1])Nc1ccc(Br)cc1
COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2c(F)cccc2F)C1 COC(=O)[*:1] O=S(=O)(c1c(F)cccc1F)N1CC[C@](F)(C1)[*:1]
CN(Cc1ccccc1)C(=O)c1cc(=O)c2ccccc2o1 c1ccc(cc1)C[*:1] CN(C(=O)c1cc(=O)c2ccccc2o1)[*:1]
CN(Cc1ccccc1)C(=O)c1cc(=O)c2ccccc2o1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cc(=O)c2ccccc2o1
CC(C)OC(=O)c1ccc(N)cc1Cl CC(C)[*:1] Nc1ccc(C(=O)O[*:1])c(Cl)c1
Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 Cc1cccc(C)c1[*:1] O=C(COC(=O)[C@H]1CC(=O)N(C1)c1cccc2ccccc12)N[*:1]
Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 c1ccc2c(cccc2c1)[*:1] Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1cscc1[C@H]([NH3+])Cc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1cscc1[C@H]([NH3+])Cc1nc(cs1)[*:1]
Cc1cscc1[C@H]([NH3+])Cc1nc(-c2ccccc2)cs1 Cc1cscc1[*:1] [NH3+][C@H](Cc1nc(cs1)-c1ccccc1)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]nc1C(C)(C)C CC[S@](=O)[*:1] CC(C)(C)c1n[nH]cc1C[NH2+][C@H]1CCCC[C@H]1[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]nc1C(C)(C)C CC(C)(C)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]nc1[*:1]
C[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1noc(n1)[*:1]
COC(=O)C[C@@H]1Nc2ccccc2NC1=O COC(=O)[*:1] O=C1Nc2ccccc2N[C@H]1C[*:1]
COC(=O)C[C@@H]1Nc2ccccc2NC1=O COC(=O)C[*:1] O=C1Nc2ccccc2N[C@H]1[*:1]
Cc1ccccc1CNC(=O)Cn1c(=O)oc2cc(Cl)ccc21 Cc1ccccc1[*:1] O=C(Cn1c(=O)oc2cc(Cl)ccc21)NC[*:1]
Cc1cc(F)cc(NCc2c[nH]nc2-c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] Cc1cc(F)cc(c1)NCc1c[nH]nc1[*:1]
O=C(NC[C@H]1CCCOC1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 c1cncc(c1)[*:1] O=C(NC[C@H]1CCCOC1)C1(CCOCC1)Cc1ccccc1[*:1]
N#Cc1ccc(F)cc1C(F)F FC(F)[*:1] N#Cc1ccc(F)cc1[*:1]
CCn1c(C)cc(C(=O)COC(=O)CN2C(=O)COc3ccccc32)c1C CCn1c(C)cc(c1C)[*:1] O=C(CN1C(=O)COc2ccccc21)OCC(=O)[*:1]
O=C(Nc1c(F)cccc1F)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 Fc1cccc(F)c1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)Cc1c(Cl)cccc1Cl
O=C(Nc1c(F)cccc1F)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 Clc1cccc(Cl)c1[*:1] O=C(Nc1c(F)cccc1F)[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
O=C(Nc1c(F)cccc1F)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 Clc1cccc(Cl)c1C[*:1] O=C(Nc1c(F)cccc1F)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CS(=O)(=O)c1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 c1ccc(cc1)O[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)Cn1c(C[*:1])nc2ccccc21
CS(=O)(=O)c1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)Cn1c(CO[*:1])nc2ccccc21
CS(=O)(=O)c1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 c1ccc(cc1)OC[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)Cn1c(nc2ccccc21)[*:1]
CS(=O)(=O)c1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=C(Cn1c(COc2ccccc2)nc2ccccc21)N[*:1]
CS(=O)(=O)c1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 CS(=O)(=O)[*:1] O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccc(cc1)[*:1]
O=C(COc1ccccc1F)Nc1cc(N2CCOCC2)ncn1 Fc1ccccc1[*:1] O=C(CO[*:1])Nc1cc(ncn1)N1CCOCC1
O=C(COc1ccccc1F)Nc1cc(N2CCOCC2)ncn1 C1CN(CCO1)[*:1] O=C(COc1ccccc1F)Nc1cc(ncn1)[*:1]
O=C(COc1ccccc1F)Nc1cc(N2CCOCC2)ncn1 Fc1ccccc1O[*:1] O=C(C[*:1])Nc1cc(ncn1)N1CCOCC1
OC[C@@H]1CCCCN1c1nccc(OCc2ccccc2)n1 c1ccc(cc1)[*:1] OC[C@@H]1CCCCN1c1nccc(n1)OC[*:1]
OC[C@@H]1CCCCN1c1nccc(OCc2ccccc2)n1 c1ccc(cc1)C[*:1] OC[C@@H]1CCCCN1c1nccc(n1)O[*:1]
Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C/C3=NC=CC3)cc2)c(Br)c1 Cc1cc(Br)c(c(Br)c1)[*:1] O=C(N/N=C/C1CC=CN=1)c1ccc(cc1)CO[*:1]
Cc1ccc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 Cc1ccc(cc1)[*:1] O=C(N(Cc1c(F)cccc1Cl)c1ccccn1)[*:1]
Cc1ccc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)C(=O)N(Cc1c(F)cccc1Cl)[*:1]
Cc1ccc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 Fc1cccc(Cl)c1[*:1] Cc1ccc(cc1)C(=O)N(C[*:1])c1ccccn1
O=C(Cc1ccccc1)N/N=C\C=C\c1cccc([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] O=C(N/N=C\C=C\c1cccc(c1)[N+](=O)[O-])[*:1]
O=C(Cc1ccccc1)N/N=C\C=C\c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(C[*:1])N/N=C\C=C\c1cccc(c1)[N+](=O)[O-]
O=C(Cc1ccccc1)N/N=C\C=C\c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Cc1ccccc1)N/N=C\C=C\c1cccc(c1)[*:1]
COc1ccc(C(=O)NCC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)C(=O)NCC(=O)N[C@H](C)c1nc(no1)[*:1]
COc1ccc(C(=O)NCC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)CNC(=O)[*:1])c1nc(no1)C(C)(C)C
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccnc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccnc(c1)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccnc(C(=O)N(C)C)c1 C[C@@H](O)[*:1] C[C@@H](CNC(=O)Nc1ccnc(c1)C(=O)N(C)C)C[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccnc(C(=O)N(C)C)c1 C[C@@H](O)C[*:1] C[C@@H](CNC(=O)Nc1ccnc(c1)C(=O)N(C)C)[*:1]
COC(=O)C1CCN(C(=O)Cc2cc(=O)oc3cc(C)ccc23)CC1 COC(=O)[*:1] Cc1ccc2c(cc(=O)oc2c1)CC(=O)N1CCC(CC1)[*:1]
CCc1cc(C(=O)N2CC[NH+](CC)CC2)c2c(C)nn(-c3ccc(OC)cc3)c2n1 COc1ccc(cc1)[*:1] CCc1cc(C(=O)N2CC[NH+](CC)CC2)c2c(C)nn(c2n1)[*:1]
CCOc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)o2)cc1 CCO[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)o2)cc1 CCOc1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
CCCc1cc(=O)n(-c2ccc(F)cc2)[nH]1 CCC[*:1] O=c1cc([nH]n1-c1ccc(F)cc1)[*:1]
CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(C)cc(F)c1 c1cc(ccn1)[*:1] CC[C@H](N(CC)C(=O)c1cc(C)cc(F)c1)[*:1]
CCn1cc(C(=O)NCc2ccc(C(=O)OC)cc2)c2ccccc21 COC(=O)[*:1] CCn1cc(C(=O)NCc2ccc(cc2)[*:1])c2ccccc21
CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)N1CCOCC1 Fc1cccc(c1)[*:1] CCOc1nc2c(c(C)nn2[*:1])c(C)c1CCC(=O)N1CCOCC1
CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)N1CCOCC1 O=C(CC[*:1])N1CCOCC1 CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1[*:1]
CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)N1CCOCC1 CCO[*:1] Cc1nn(-c2cccc(F)c2)c2nc(c(CCC(=O)N3CCOCC3)c(C)c12)[*:1]
CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1C[*:1]
CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CC[*:1]
CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCCC2)C[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@@H]1CN(C[C@@H]1[*:1])C(=O)C[NH+]1CCCCC1
CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCCC2)C[C@H]1c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H]1CN(C[C@H]1[*:1])C(=O)C[NH+]1CCCCC1
Cc1cc(NC(=O)c2ccccc2I)sc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(NC(=O)c2ccccc2I)sc1[*:1]
Cc1cc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)no1 c1ccc(cc1)C[*:1] Cc1cc(no1)NC(=O)[C@@H]1COCC(=O)N1[*:1]
Cc1cc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@@H]1COCC(=O)N1C[*:1]
Cc1cc(NC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])[C@@H]1COCC(=O)N1Cc1ccccc1
CC(C)CCn1c(N)nc2cc(Cl)c(Cl)cc21 CC(C)CC[*:1] Nc1nc2cc(Cl)c(Cl)cc2n1[*:1]
CC(C)CCn1c(N)nc2cc(Cl)c(Cl)cc21 CC(C)C[*:1] Nc1nc2cc(Cl)c(Cl)cc2n1C[*:1]
CC(C)CCn1c(N)nc2cc(Cl)c(Cl)cc21 CC(C)[*:1] Nc1nc2cc(Cl)c(Cl)cc2n1CC[*:1]
CCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 CCO[*:1] N#Cc1c(NC(=O)Cc2ccc(cc2)[*:1])sc2CCCCCc21
CCCc1nnc(NC(=O)c2ccc(Br)cc2)s1 CCC[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(Br)cc1
COc1ccc(CCNC(=O)[C@H](C)n2c(=O)cc(C)c3cc(C)cc(C)c32)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(C)c2c(c1)c(C)cc(=O)n2[C@@H](C)C(=O)NCC[*:1]
C=CCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] C=CCN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)[*:1]
C=CCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O C=CC[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1cc(Br)ccc1SCC(=O)Nc1ccccc1C(N)=O NC(=O)[*:1] Cc1cc(Br)ccc1SCC(=O)Nc1ccccc1[*:1]
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccccc2)s1 c1ccc(cc1)[*:1] CC(=O)Nc1ncc(s1)S(=O)(=O)[N-][*:1]
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccccc2)s1 CC(=O)N[*:1] O=S(=O)([N-]c1ccccc1)c1cnc(s1)[*:1]
O=C(Nc1ccc(Br)cc1)c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 Brc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)N1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O
CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3ccccc3Cl)cc2c1C Clc1ccccc1[*:1] CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CCC[C@@H]1[*:1]
CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3ccccc3Cl)cc2c1C CCOC(=O)[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCC[C@H]1c1ccccc1Cl)[*:1]
N#Cc1c(-c2ccc(Cl)cc2)cc[nH+]c1NCc1ccccc1 c1ccc(cc1)[*:1] N#Cc1c(cc[nH+]c1NC[*:1])-c1ccc(Cl)cc1
N#Cc1c(-c2ccc(Cl)cc2)cc[nH+]c1NCc1ccccc1 c1ccc(cc1)C[*:1] N#Cc1c(cc[nH+]c1N[*:1])-c1ccc(Cl)cc1
N#Cc1c(-c2ccc(Cl)cc2)cc[nH+]c1NCc1ccccc1 Clc1ccc(cc1)[*:1] N#Cc1c(cc[nH+]c1NCc1ccccc1)[*:1]
CCOc1ccccc1NCc1nnc(-c2ccccc2)n1C CCO[*:1] Cn1c(CNc2ccccc2[*:1])nnc1-c1ccccc1
CCOc1ccccc1NCc1nnc(-c2ccccc2)n1C c1ccc(cc1)[*:1] CCOc1ccccc1NCc1nnc(n1C)[*:1]
C[C@H]1CCCN(C(=O)Nc2cc(N)ccc2C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CCCN(C1)C(=O)Nc1cc(N)ccc1[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](SCC2CCCC2)C1 C1CCC(C1)C[*:1] CC[NH2+][C@]1(CC[C@H](C1)S[*:1])C(=O)[O-]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](SCC2CCCC2)C1 C1CCC(C1)[*:1] CC[NH2+][C@]1(CC[C@H](C1)SC[*:1])C(=O)[O-]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](SCC2CCCC2)C1 O=C([O-])[*:1] CC[NH2+][C@]1(CC[C@H](C1)SCC1CCCC1)[*:1]
NC(=O)Cn1nc(-n2cncn2)ccc1=O NC(=O)[*:1] O=c1ccc(nn1C[*:1])-n1cncn1
NC(=O)Cn1nc(-n2cncn2)ccc1=O c1ncn(n1)[*:1] NC(=O)Cn1nc(ccc1=O)[*:1]
NC(=O)Cn1nc(-n2cncn2)ccc1=O NC(=O)C[*:1] O=c1ccc(nn1[*:1])-n1cncn1
CCN(CC)C(=O)N[C@H](C)CO C[C@H](CO)[*:1] CCN(CC)C(=O)N[*:1]
Cc1nc(C)n(C[C@@H]2CCCN(c3ncnc4ccccc34)C2)n1 Cc1nc(C)n(C[*:1])n1 c1ccc2c(ncnc2c1)N1CCC[C@H](C1)[*:1]
Cc1nc(C)n(C[C@@H]2CCCN(c3ncnc4ccccc34)C2)n1 Cc1nc(C)n(n1)[*:1] c1ccc2c(ncnc2c1)N1CCC[C@H](C1)C[*:1]
C/[NH+]=C(/NCc1ncc(C)s1)N1CCC(C)(C)C1 Cc1cnc(s1)[*:1] C/[NH+]=C(/NC[*:1])N1CCC(C)(C)C1
C#Cc1cccc(NC(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c1 c1ccc(cc1)C[*:1] C#Cc1cccc(c1)NC(=O)N[C@@H](C)c1nc(no1)[*:1]
C#Cc1cccc(NC(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c1 C#Cc1cccc(c1)[*:1] C[C@H](NC(=O)N[*:1])c1nc(Cc2ccccc2)no1
C#Cc1cccc(NC(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c1 c1ccc(cc1)[*:1] C#Cc1cccc(c1)NC(=O)N[C@@H](C)c1nc(C[*:1])no1
COc1ccccc1O[C@H](C)CNC(=O)C1CCOCC1 C1CC(CCO1)[*:1] COc1ccccc1O[C@H](C)CNC(=O)[*:1]
CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1 CCOc1ccc(cc1)[*:1] C[C@H](C(=O)NC[C@@H]1CCCO1)n1nc(ccc1=O)[*:1]
CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1 CCO[*:1] C[C@H](C(=O)NC[C@@H]1CCCO1)n1nc(ccc1=O)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1 C1CO[C@@H](C1)[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)NC[*:1]
CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1 O=C(NC[C@@H]1CCCO1)[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)[*:1]
CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1 C1CO[C@@H](C1)C[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)N[*:1]
CC[C@H]1CCCCN1c1ncnc(NC2CCCC2)c1N C1CCC(C1)N[*:1] CC[C@H]1CCCCN1c1ncnc(c1N)[*:1]
CC[C@H]1CCCCN1c1ncnc(NC2CCCC2)c1N C1CCC(C1)[*:1] CC[C@H]1CCCCN1c1ncnc(N[*:1])c1N
COc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)NC1CC1 Fc1cccc(c1)[*:1] COc1ccc(cc1S(=O)(=O)NC1CC1)C(=O)N[*:1]
COc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)NC1CC1 O=S(=O)(NC1CC1)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cccc(F)c1
COc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)NC1CC1 C1CC1[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)Nc1cccc(F)c1
CC[C@@H](C(O)(O)CC)[C@@](C)(O)[NH+]1CCCC1 CCC(O)(O)[*:1] CC[C@@H]([C@@](C)(O)[NH+]1CCCC1)[*:1]
N#CCN1CCC(OCCC[NH3+])CC1 [NH3+]CC[*:1] N#CCN1CCC(CC1)OC[*:1]
N#CCN1CCC(OCCC[NH3+])CC1 [NH3+]CCC[*:1] N#CCN1CCC(CC1)O[*:1]
N#CCN1CCC(OCCC[NH3+])CC1 N#CC[*:1] [NH3+]CCCOC1CCN(CC1)[*:1]
Nc1c(NNC(=O)c2ccncc2)ncnc1N1CCN(c2cccc[nH+]2)CC1 c1cc(ccn1)[*:1] Nc1c(ncnc1N1CCN(CC1)c1cccc[nH+]1)NNC(=O)[*:1]
O=C(c1cccn1-c1nnc(N2CCCC2)s1)N1CCC([NH+]2CCCCC2)CC1 C1CCN(C1)[*:1] O=C(c1cccn1-c1nnc(s1)[*:1])N1CCC(CC1)[NH+]1CCCCC1
CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccnc2Cl)cc1 Clc1ncccc1[*:1] CCSc1ccc(cc1)[C@@H](C)NC(=O)C(=O)N[*:1]
CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccnc2Cl)cc1 CCS[*:1] C[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)c1ccc(cc1)[*:1]
CC(C)[NH+]1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC(C)[NH+]1CNc2c(C1)c(=O)[nH]c(=O)n2[*:1]
CC(C)[NH+]1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2)C1 CC(C)[*:1] O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c2NC[NH+](Cc21)[*:1]
COC(=O)Cn1ncc2c(N[C@@H]3C[C@H](C)N(c4ccccc4)C3)ncnc21 COC(=O)[*:1] C[C@H]1C[C@H](CN1c1ccccc1)Nc1ncnc2c1cnn2C[*:1]
COC(=O)Cn1ncc2c(N[C@@H]3C[C@H](C)N(c4ccccc4)C3)ncnc21 c1ccc(cc1)[*:1] COC(=O)Cn1ncc2c(ncnc21)N[C@@H]1C[C@H](C)N(C1)[*:1]
COC(=O)Cn1ncc2c(N[C@@H]3C[C@H](C)N(c4ccccc4)C3)ncnc21 COC(=O)C[*:1] C[C@H]1C[C@H](CN1c1ccccc1)Nc1ncnc2c1cnn2[*:1]
CCCn1nccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 CCCn1nccc1[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCCn1nccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 C[C@@H]1C[C@@H]1C(=O)N[*:1] CCCn1nccc1NC(=O)c1ccc(cc1)[*:1]
CCCn1nccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 CCC[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)Nc1ccnn1[*:1]
C[C@@H](Nc1cccc(Br)c1)c1ccoc1 c1cc(co1)[*:1] C[C@@H](Nc1cccc(Br)c1)[*:1]
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1N=C(C[C@@H]1[*:1])c1cccs1
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1N=C(C[C@H]1c1cccs1)[*:1]
CCCc1cc(=O)[nH]c(Nc2ccc(Cl)c(C(F)(F)F)c2)n1 FC(F)(F)[*:1] CCCc1cc(=O)[nH]c(n1)Nc1ccc(Cl)c(c1)[*:1]
CCCc1cc(=O)[nH]c(Nc2ccc(Cl)c(C(F)(F)F)c2)n1 CCC[*:1] O=c1cc(nc(Nc2ccc(Cl)c(c2)C(F)(F)F)[nH]1)[*:1]
CC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cnccn3)C2)CC1 c1cnc(cn1)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(-c2cc(C(=O)N[C@H](CO)c3ccco3)[nH]n2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](CO)c1ccco1)c1cc(n[nH]1)[*:1]
COc1ccc(-c2cc(C(=O)N[C@H](CO)c3ccco3)[nH]n2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-c1cc([nH]n1)C(=O)N[C@H](CO)[*:1]
C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)C1CC1 C1CC1[*:1] C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)[*:1]
C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)C1CC1 O[C@H](C1CC1)[*:1] C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[*:1]
CC(C)(C)C(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 CC(C)(C)C(=O)N[*:1] c1csc(c1)-c1ccnc(n1)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)[*:1]
CC(C)(C)C(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 CC(C)(C)[*:1] O=C(N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Nc1nccc(n1)-c1cccs1)[*:1]
CC(C)(C)C(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 c1csc(c1)[*:1] CC(C)(C)C(=O)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Nc1nccc(n1)[*:1]
CCSCC[C@H](C)NC(=O)N1CCCC[C@@H]1CC CCSC[*:1] CC[C@H]1CCCCN1C(=O)N[C@@H](C)C[*:1]
CCSCC[C@H](C)NC(=O)N1CCCC[C@@H]1CC CCS[*:1] CC[C@H]1CCCCN1C(=O)N[C@@H](C)CC[*:1]
CCSCC[C@H](C)NC(=O)N1CCCC[C@@H]1CC CCSCC[*:1] CC[C@H]1CCCCN1C(=O)N[C@@H](C)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)C2CCCCC2)c1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1cccc(c1)C(=O)N(C)C1CCCCC1)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)C2CCCCC2)c1 C1CCC(CC1)[*:1] CCN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] O=[N+]([O-])[*:1] NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[*:1]
NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] FC(F)(F)[*:1] NNc1ncnc(Nc2ccccc2[*:1])c1[N+](=O)[O-]
COc1ccc(F)c(NC(=O)C(=O)NCCCO)c1 OCCC[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)N[*:1]
COc1ccc(F)c(NC(=O)C(=O)NCCCO)c1 OCC[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)NC[*:1]
Cc1n[nH]c(C)c1CCOC(=O)C(C)(C)F CC(C)(F)[*:1] Cc1n[nH]c(C)c1CCOC(=O)[*:1]
C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O FC(F)(F)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O)C1CC1
C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O)[*:1]
COC(=O)c1cc(N2C[C@H](C)OC[C@@H]2C)cc(C)c1N COC(=O)[*:1] Cc1cc(cc(c1N)[*:1])N1C[C@H](C)OC[C@@H]1C
O=S(=O)(Cc1nnnn1C1CC1)C[C@@H](O)c1ccc2ccccc2c1 C1CC1[*:1] O=S(=O)(Cc1nnnn1[*:1])C[C@@H](O)c1ccc2ccccc2c1
O=S(=O)(Cc1nnnn1C1CC1)C[C@@H](O)c1ccc2ccccc2c1 C1CC1n1nnnc1[*:1] O=S(=O)(C[C@@H](O)c1ccc2ccccc2c1)C[*:1]
O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc2ccc(F)cc2s1 O=C(c1ccccc1)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1nc2ccc(F)cc2s1
O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc2ccc(F)cc2s1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)C(=O)[*:1])Nc1nc2ccc(F)cc2s1
O=C([O-])c1ccccc1-c1cn(Cc2ccc(C(=O)N3CCCC3)cc2)nn1 O=C([O-])[*:1] O=C(c1ccc(cc1)Cn1cc(nn1)-c1ccccc1[*:1])N1CCCC1
O=C([O-])c1ccccc1-c1cn(Cc2ccc(C(=O)N3CCCC3)cc2)nn1 O=C(N1CCCC1)[*:1] O=C([O-])c1ccccc1-c1cn(Cc2ccc(cc2)[*:1])nn1
O=C([O-])c1ccccc1-c1cn(Cc2ccc(C(=O)N3CCCC3)cc2)nn1 O=C([O-])c1ccccc1[*:1] O=C(c1ccc(cc1)Cn1cc(nn1)[*:1])N1CCCC1
O=C(CCc1ccc(Cl)cc1)NCCc1nc2cc(F)ccc2s1 Clc1ccc(cc1)[*:1] O=C(CC[*:1])NCCc1nc2cc(F)ccc2s1
O=C(CCc1ccc(Cl)cc1)NCCc1nc2cc(F)ccc2s1 Clc1ccc(cc1)C[*:1] O=C(C[*:1])NCCc1nc2cc(F)ccc2s1
CCN(CCCN1CCOCC1)Cc1cnn(C)c1 C1CN(CCO1)[*:1] CCN(CCC[*:1])Cc1cnn(C)c1
CCN(CCCN1CCOCC1)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] CCN(CCCN1CCOCC1)C[*:1]
Cc1ccc(Cc2cnc(NC(=O)N3CCO[C@H](C)C3)s2)cc1Cl Cc1ccc(cc1Cl)[*:1] C[C@@H]1CN(CCO1)C(=O)Nc1ncc(C[*:1])s1
COc1ccc(C(=O)N2CCN(c3ccc(OC)c(OC)c3)C(=O)[C@H]2C)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)N1CCN(C(=O)[*:1])[C@H](C)C1=O
O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 Fc1ccc(cc1F)[*:1] O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1nc(cs1)[*:1]
Cc1nc([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@H]([NH2+]C1CCN(CC1)S(C)(=O)=O)[*:1]
COc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(F)cc4)c3)cn2)c1 Fc1ccc(cc1)C[*:1] COc1cccc(c1)Oc1ncc(cn1)-c1cccc(c1)C(=O)N[*:1]
COc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(F)cc4)c3)cn2)c1 COc1cccc(c1)O[*:1] O=C(NCc1ccc(F)cc1)c1cccc(c1)-c1cnc(nc1)[*:1]
COc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(F)cc4)c3)cn2)c1 COc1cccc(c1)[*:1] O=C(NCc1ccc(F)cc1)c1cccc(c1)-c1cnc(nc1)O[*:1]
COc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(F)cc4)c3)cn2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)Oc1ncc(cn1)-c1cccc(c1)C(=O)NC[*:1]
N#CC1(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)CC1 C1CC1[*:1] N#CC1(CC1)C(=O)NC[C@@](O)(c1ccccc1)[*:1]
N#CC1(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)CC1 N#CC1(CC1)[*:1] O=C(NC[C@@](O)(c1ccccc1)C1CC1)[*:1]
N#CC1(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)CC1 c1ccc(cc1)[*:1] N#CC1(CC1)C(=O)NC[C@@](O)(C1CC1)[*:1]
O=C(O[C@H](c1ccccc1)c1nccs1)[C@@H]1Cc2cc(F)ccc2O1 c1csc(n1)[*:1] O=C(O[C@H](c1ccccc1)[*:1])[C@@H]1Cc2cc(F)ccc2O1
O=C(O[C@H](c1ccccc1)c1nccs1)[C@@H]1Cc2cc(F)ccc2O1 c1ccc(cc1)[*:1] O=C(O[C@H](c1nccs1)[*:1])[C@@H]1Cc2cc(F)ccc2O1
O=C1c2ccccc2C(=O)N1CN1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1CN1CCO[C@H](C1)[*:1]
CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 CC[C@H](C)NC(=O)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)[*:1]
CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 CC[C@H](C)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)N[*:1]
CS(=O)(=O)CCSc1nc(-c2cccnc2)n[nH]1 CS(=O)(=O)[*:1] c1cncc(c1)-c1n[nH]c(n1)SCC[*:1]
CS(=O)(=O)CCSc1nc(-c2cccnc2)n[nH]1 CS(=O)(=O)C[*:1] c1cncc(c1)-c1n[nH]c(n1)SC[*:1]
CS(=O)(=O)CCSc1nc(-c2cccnc2)n[nH]1 c1cncc(c1)[*:1] CS(=O)(=O)CCSc1nc(n[nH]1)[*:1]
CS(=O)(=O)CCSc1nc(-c2cccnc2)n[nH]1 CS(=O)(=O)CC[*:1] c1cncc(c1)-c1n[nH]c(n1)S[*:1]
Cc1csc(COc2ccc(S(=O)(=O)N(C)C)cc2)n1 CN(C)S(=O)(=O)[*:1] Cc1csc(COc2ccc(cc2)[*:1])n1
Cc1csc(COc2ccc(S(=O)(=O)N(C)C)cc2)n1 Cc1csc(n1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)OC[*:1]
COC(=O)c1ccccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 COC(=O)[*:1] Cc1sc2nc(C(C)C)n3c(nnc3c2c1C)SCC(=O)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 COC(=O)c1ccccc1[*:1] Cc1sc2nc(C(C)C)n3c(nnc3c2c1C)SCC(=O)N[*:1]
COC(=O)c1ccccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 CC(C)[*:1] COC(=O)c1ccccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3nc(n12)[*:1]
COC(=O)c1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCC(=O)N4)ccc1O COC(=O)[*:1] O=C1COc2cc3c(cc2N1)NC(=O)C[C@@H]3c1ccc(O)c(c1)[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(N(C)C)c2)c1 CN(C)[*:1] COC(=O)c1ccc(Cl)c(c1)NC(=O)c1ccnc(c1)[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(N(C)C)c2)c1 COC(=O)[*:1] CN(C)c1cc(ccn1)C(=O)Nc1cc(ccc1Cl)[*:1]
CS(=O)(=O)c1cccc(N2CCN(Cc3ccc4ccccc4c3)C2=O)c1 CS(=O)(=O)[*:1] O=C1N(CCN1c1cccc(c1)[*:1])Cc1ccc2ccccc2c1
Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)N(CC[NH+](C)C)[*:1]
Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N(CC[NH+](C)C)C[*:1]
Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)CCN(Cc1ccccc1)C(=O)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)NC(=O)CN(C)C(=O)[C@H](C(C)C)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N(C)CC(=O)N[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)[C@H](NC(=O)[*:1])C(C)C
Cc1ccc(NC(=O)CN(C)C(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)[C@H](NC(=O)c1ccco1)[*:1]
CC(=O)N1CCC[C@@H](Cc2cncc(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] CC(=O)N1CCC[C@@H](Cc2cncc(n2)[*:1])C1
COc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)c1nn(c(=O)cc1OC)[*:1]
COc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)cc1 COc1ccc(cc1)[*:1] COc1cc(=O)n(nc1C(=O)N[*:1])-c1ccc(C)cc1
O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)Nc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] O=C(CN1CCN(C1=O)c1ccc2OCCOc2c1)N[*:1]
O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)Nc1cccc2ccccc12 c1cc2OCCOc2cc1[*:1] O=C(CN1CCN(C1=O)[*:1])Nc1cccc2ccccc12
CCc1onc(C)c1NC(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F Cn1ccc(c1)[*:1] CCc1onc(C)c1NC(=O)N[C@@H](C(F)(F)F)[*:1]
CCc1onc(C)c1NC(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F FC(F)(F)[*:1] CCc1onc(C)c1NC(=O)N[C@@H](c1ccn(C)c1)[*:1]
O=C(NC[C@@H]1CCCO1)NNC(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NC[C@@H]1CCCO1)NNC(=O)c1cccc(c1)[*:1]
O=C(NC[C@@H]1CCCO1)NNC(=O)c1cccc(C(F)(F)F)c1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])NNC(=O)c1cccc(c1)C(F)(F)F
O=C(NC[C@@H]1CCCO1)NNC(=O)c1cccc(C(F)(F)F)c1 C1CO[C@@H](C1)C[*:1] O=C(NNC(=O)c1cccc(c1)C(F)(F)F)N[*:1]
Cc1cc(Cn2cc(N)nn2)c2ccccc2n1 Nc1cn(nn1)[*:1] Cc1cc(C[*:1])c2ccccc2n1
COC[C@@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)c1ccccc1 COC[*:1] C[C@H](N[C@@H](c1ccccc1)[*:1])c1cc(F)c(F)c(F)c1
COC[C@@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)[*:1]
CCN(Cc1noc(C)n1)C(=O)c1ccc2cccc(Cl)c2n1 Cc1nc(no1)[*:1] CCN(C[*:1])C(=O)c1ccc2cccc(Cl)c2n1
CCN(Cc1noc(C)n1)C(=O)c1ccc2cccc(Cl)c2n1 Cc1nc(C[*:1])no1 CCN(C(=O)c1ccc2cccc(Cl)c2n1)[*:1]
O=C(CN1CSCC1=O)NCC1(c2cccc(Br)c2)CCCCC1 Brc1cccc(c1)[*:1] O=C(CN1CSCC1=O)NCC1(CCCCC1)[*:1]
O=C(CN1CSCC1=O)NCC1(c2cccc(Br)c2)CCCCC1 O=C1CSCN1C[*:1] O=C(NCC1(CCCCC1)c1cccc(Br)c1)[*:1]
O=C(CN1CSCC1=O)NCC1(c2cccc(Br)c2)CCCCC1 O=C1CSCN1[*:1] O=C(C[*:1])NCC1(CCCCC1)c1cccc(Br)c1
Cc1cc(C)c(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c(C)c1 Cc1nc(oc1C)[*:1] Cc1cc(C)c(C(=O)Nc2cccc(c2)[*:1])c(C)c1
Cn1nc(C(C)(C)C)nc1[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 CC(C)(C)[*:1] Cn1nc(nc1[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)[*:1]
O=C(N[C@@H]1C=CC[C@@H]1O)OCC(Cl)(Cl)Cl ClC(Cl)(Cl)C[*:1] O=C(N[C@@H]1C=CC[C@@H]1O)O[*:1]
O=C(N[C@@H]1C=CC[C@@H]1O)OCC(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=C(N[C@@H]1C=CC[C@@H]1O)OC[*:1]
Cc1noc(C)c1COc1ccc(CCO)cc1-n1nc2ccccc2n1 Cc1noc(C)c1C[*:1] OCCc1ccc(O[*:1])c(c1)-n1nc2ccccc2n1
Cc1noc(C)c1COc1ccc(CCO)cc1-n1nc2ccccc2n1 OCC[*:1] Cc1noc(C)c1COc1ccc(cc1-n1nc2ccccc2n1)[*:1]
Cc1noc(C)c1COc1ccc(CCO)cc1-n1nc2ccccc2n1 Cc1noc(C)c1CO[*:1] OCCc1ccc(c(c1)-n1nc2ccccc2n1)[*:1]
Cc1noc(C)c1COc1ccc(CCO)cc1-n1nc2ccccc2n1 c1ccc2nn(nc2c1)[*:1] Cc1noc(C)c1COc1ccc(cc1[*:1])CCO
Cc1noc(C)c1COc1ccc(CCO)cc1-n1nc2ccccc2n1 Cc1noc(C)c1[*:1] OCCc1ccc(OC[*:1])c(c1)-n1nc2ccccc2n1
[NH3+][C@H]1CCC[C@@H]1CCS(=O)(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] [NH3+][C@H]1CCC[C@@H]1CCS(=O)(=O)c1ccccc1[*:1]
COc1cc(CC(=O)NCC(C)C)cc(OC)c1OC CC(C)C[*:1] COc1cc(cc(OC)c1OC)CC(=O)N[*:1]
COc1cc(CC(=O)NCC(C)C)cc(OC)c1OC CC(C)[*:1] COc1cc(cc(OC)c1OC)CC(=O)NC[*:1]
CCc1nn(C)cc1C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 CCc1nn(C)cc1[*:1] C[C@H](CNC(=O)[*:1])N1CCN(CC1)c1ccccc1
CCc1nn(C)cc1C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)NC[C@@H](C)N1CCN(CC1)[*:1]
Fc1ccccc1CSc1nnc(-c2ccccc2F)n1C1CC1 C1CC1[*:1] Fc1ccccc1CSc1nnc(-c2ccccc2F)n1[*:1]
Fc1ccccc1CSc1nnc(-c2ccccc2F)n1C1CC1 Fc1ccccc1[*:1] Fc1ccccc1-c1nnc(SC[*:1])n1C1CC1
Fc1ccccc1CSc1nnc(-c2ccccc2F)n1C1CC1 Fc1ccccc1[*:1] Fc1ccccc1CSc1nnc(n1C1CC1)[*:1]
Fc1ccccc1CSc1nnc(-c2ccccc2F)n1C1CC1 Fc1ccccc1C[*:1] Fc1ccccc1-c1nnc(S[*:1])n1C1CC1
CCCN(C(=O)Cn1ncc2c(=O)oc3ccccc3c21)c1ccc(OCC)cc1 CCC[*:1] CCOc1ccc(cc1)N(C(=O)Cn1ncc2c(=O)oc3ccccc3c21)[*:1]
CCCN(C(=O)Cn1ncc2c(=O)oc3ccccc3c21)c1ccc(OCC)cc1 CCO[*:1] CCCN(C(=O)Cn1ncc2c(=O)oc3ccccc3c21)c1ccc(cc1)[*:1]
CCCN(C(=O)Cn1ncc2c(=O)oc3ccccc3c21)c1ccc(OCC)cc1 CCOc1ccc(cc1)[*:1] CCCN(C(=O)Cn1ncc2c(=O)oc3ccccc3c21)[*:1]
COc1cc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc(OC)c1 Fc1cccc(c1)[*:1] COc1cc(cc(c1)OC)CN1CCc2nnc(CNC(=O)[*:1])n2CC1
COc1cc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc(OC)c1 O=C(N[*:1])c1cccc(F)c1 COc1cc(cc(c1)OC)CN1CCc2nnc(C[*:1])n2CC1
COc1cc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc(OC)c1 COc1cc(cc(c1)[*:1])OC O=C(NCc1nnc2CCN(CCn21)C[*:1])c1cccc(F)c1
Cc1c(C(=O)Nc2cccc(Oc3ccncc3)c2)cnn1-c1ccc(Br)cc1 c1cc(ccn1)O[*:1] Cc1c(cnn1-c1ccc(Br)cc1)C(=O)Nc1cccc(c1)[*:1]
Cc1c(C(=O)Nc2cccc(Oc3ccncc3)c2)cnn1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cccc(c1)Oc1ccncc1
Cc1c(C(=O)Nc2cccc(Oc3ccncc3)c2)cnn1-c1ccc(Br)cc1 c1cc(ccn1)[*:1] Cc1c(cnn1-c1ccc(Br)cc1)C(=O)Nc1cccc(c1)O[*:1]
Cc1cc2nc(NC(=N)/N=C(\[O-])Cc3ccc([N+](=O)[O-])cc3)nc(C)c2cc1C O=[N+]([O-])[*:1] Cc1cc2nc(nc(C)c2cc1C)NC(=N)/N=C(\[O-])Cc1ccc(cc1)[*:1]
Cc1cc2nc(NC(=N)/N=C(\[O-])Cc3ccc([N+](=O)[O-])cc3)nc(C)c2cc1C O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc2nc(nc(C)c2cc1C)NC(=N)/N=C(\[O-])C[*:1]
O=C([O-])c1ccnc(Oc2cccc(C(F)(F)F)c2)c1 O=C([O-])[*:1] FC(F)(F)c1cccc(c1)Oc1cc(ccn1)[*:1]
O=C([O-])c1ccnc(Oc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] O=C([O-])c1ccnc(c1)Oc1cccc(c1)[*:1]
O=C(Cc1csc(-c2ncccn2)n1)NC[C@H]1COc2ccccc2O1 c1cnc(nc1)[*:1] O=C(Cc1csc(n1)[*:1])NC[C@H]1COc2ccccc2O1
CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC CCC[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)[C@H]1CCCN1C(=O)[*:1]
CCC(CC)Oc1cc(C(=O)[O-])c(N)cc1OC O=C([O-])[*:1] CCC(CC)Oc1cc(c(N)cc1OC)[*:1]
CCC(CC)Oc1cc(C(=O)[O-])c(N)cc1OC CCC(CC)O[*:1] COc1cc(N)c(cc1[*:1])C(=O)[O-]
CCC(CC)Oc1cc(C(=O)[O-])c(N)cc1OC CCC(CC)[*:1] COc1cc(N)c(cc1O[*:1])C(=O)[O-]
COCC[NH2+]Cc1ccc(Oc2cccnc2C)cc1 COC[*:1] Cc1ncccc1Oc1ccc(cc1)C[NH2+]C[*:1]
COCC[NH2+]Cc1ccc(Oc2cccnc2C)cc1 COCC[*:1] Cc1ncccc1Oc1ccc(cc1)C[NH2+][*:1]
COc1ccc2nc(NC(=O)/C=C/c3cccs3)sc2c1 c1csc(c1)[*:1] COc1ccc2nc(NC(=O)C=C[*:1])sc2c1
COc1ccc2nc(NC(=O)/C=C/c3cccs3)sc2c1 C(=C[*:1])c1cccs1 COc1ccc2nc(NC(=O)[*:1])sc2c1
CC(C)[C@@H](C(=O)NCCc1nnc2n1CCCCC2)n1nnc(-c2ccccc2)n1 C1CCc2nnc(n2CC1)[*:1] CC(C)[C@@H](C(=O)NCC[*:1])n1nnc(n1)-c1ccccc1
CC(C)[C@@H](C(=O)NCCc1nnc2n1CCCCC2)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)NCCc1nnc2CCCCCn21)n1nnc(n1)[*:1]
CC(C)[C@@H](C(=O)NCCc1nnc2n1CCCCC2)n1nnc(-c2ccccc2)n1 CC(C)[*:1] O=C(NCCc1nnc2CCCCCn21)[C@@H](n1nnc(n1)-c1ccccc1)[*:1]
CCCCN(CC)C(=O)NCCc1ccc(F)cc1 CCCC[*:1] CCN(C(=O)NCCc1ccc(F)cc1)[*:1]
CCCCN(CC)C(=O)NCCc1ccc(F)cc1 CCC[*:1] CCN(C[*:1])C(=O)NCCc1ccc(F)cc1
O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1csc(n1)[*:1]
C[C@H](CN(Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O)C(=O)[O-] c1ccc(cc1)[*:1] C[C@H](CN(C[*:1])C(=O)c1cc2ccccc2oc1=O)C(=O)[O-]
C[C@H](CN(Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O)C(=O)[O-] O=C([O-])[*:1] C[C@H](CN(Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O)[*:1]
C[C@H](CN(Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O)C(=O)[O-] c1ccc(cc1)C[*:1] C[C@H](CN(C(=O)c1cc2ccccc2oc1=O)[*:1])C(=O)[O-]
CCN(C)S(=O)(=O)NCCN1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCN(C)S(=O)(=O)NCCN1CCN(CC1)[*:1]
Cc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nc(no1)-c1ccc(F)cc1
Cc1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(NC(=O)N2CCC[C@H](C2)c2nc(no2)[*:1])c1C
NC(=O)[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1ccccc1 c1cncc(c1)[*:1] NC(=O)[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1
NC(=O)[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1ccccc1 NC(=O)[*:1] c1ccc(cc1)[C@@H]([NH2+]Cc1ccc(cc1)-c1cccnc1)[*:1]
NC(=O)[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H]([NH2+]Cc1ccc(cc1)-c1cccnc1)[*:1]
CNc1cc([C@H]2CCCN(C(=O)c3ccccc3OC)C2)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] CNc1cc(nc(n1)[*:1])[C@H]1CCCN(C1)C(=O)c1ccccc1OC
CNc1cc([C@H]2CCCN(C(=O)c3ccccc3OC)C2)nc(-c2cccnc2)n1 COc1ccccc1[*:1] CNc1cc(nc(n1)-c1cccnc1)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@H](CC(=O)N1CCCC[C@@H]1c1ncon1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@H](CC(=O)N1CCCC[C@@H]1c1ncon1)[*:1]
C[C@H](CC(=O)N1CCCC[C@@H]1c1ncon1)Cc1ccc(Cl)cc1 c1nc(no1)[*:1] C[C@H](CC(=O)N1CCCC[C@H]1[*:1])Cc1ccc(Cl)cc1
C[C@H](CC(=O)N1CCCC[C@@H]1c1ncon1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)N1CCCC[C@@H]1c1ncon1)C[*:1]
CCC[NH2+][C@H]1[C@H](n2cc(C)cn2)CCC1(C)C CCC[*:1] Cc1cnn(c1)[C@@H]1CCC(C)(C)[C@H]1[NH2+][*:1]
CN(CCc1ccccn1)C(=O)NCc1cc2ccccc2o1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)NCc1cc2ccccc2o1
CN(CCc1ccccn1)C(=O)NCc1cc2ccccc2o1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)NCc1cc2ccccc2o1
COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CN2CCCC2=O)C1 O=C1CCCN1C[*:1] COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C1)C(=O)[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CN2CCCC2=O)C1 COCCNC(=O)[*:1] O=C1CCCN1CC(=O)N1CC[C@@H](C1)c1c(sc2ccccc12)[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CN2CCCC2=O)C1 COCC[*:1] O=C(N[*:1])c1sc2ccccc2c1[C@H]1CCN(C1)C(=O)CN1CCCC1=O
COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CN2CCCC2=O)C1 COC[*:1] O=C(NC[*:1])c1sc2ccccc2c1[C@H]1CCN(C1)C(=O)CN1CCCC1=O
COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CN2CCCC2=O)C1 O=C1CCCN1[*:1] COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C1)C(=O)C[*:1]
O=c1c(Nc2ccc(F)cc2)c(-c2ccc(Cl)cc2)c1=O Fc1ccc(cc1)[*:1] O=c1c(N[*:1])c(-c2ccc(Cl)cc2)c1=O
O=c1c(Nc2ccc(F)cc2)c(-c2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] O=c1c(Nc2ccc(F)cc2)c(c1=O)[*:1]
Cc1ccc(-n2nnnc2Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)-n1nnnc1Sc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1ccc(-n2nnnc2Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)-n1nnnc1Sc1ccc(cc1[*:1])[N+](=O)[O-]
Cc1ccc(-n2nnnc2Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C Cc1ccc(cc1C)[*:1] O=[N+]([O-])c1ccc(Sc2nnnn2[*:1])c(c1)[N+](=O)[O-]
Cc1ccccc1[C@@H](CC(=O)Nc1nc(C2CC2)cs1)NC(N)=O C1CC1[*:1] Cc1ccccc1[C@@H](CC(=O)Nc1nc(cs1)[*:1])NC(N)=O
Cc1ccccc1[C@@H](CC(=O)Nc1nc(C2CC2)cs1)NC(N)=O c1sc(nc1C1CC1)[*:1] Cc1ccccc1[C@@H](CC(=O)N[*:1])NC(N)=O
Cc1ccccc1[C@@H](CC(=O)Nc1nc(C2CC2)cs1)NC(N)=O NC(=O)N[*:1] Cc1ccccc1[C@@H](CC(=O)Nc1nc(cs1)C1CC1)[*:1]
Cc1ccccc1[C@@H](CC(=O)Nc1nc(C2CC2)cs1)NC(N)=O Cc1ccccc1[*:1] NC(=O)N[C@H](CC(=O)Nc1nc(cs1)C1CC1)[*:1]
CCN(CC)C(=O)[C@H](C)SCC(=O)[O-] O=C([O-])[*:1] CCN(CC)C(=O)[C@H](C)SC[*:1]
CCN(CC)C(=O)[C@H](C)SCC(=O)[O-] O=C([O-])C[*:1] CCN(CC)C(=O)[C@H](C)S[*:1]
CC(C)(C)N1C[C@H](C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)CC1=O Fc1cccc(c1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)(C)N1C[C@H](C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)CC1=O CC(C)(C)[*:1] O=C(Nc1cccc(F)c1)C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)S(=O)(=O)N1CCC[C@H]1[*:1]
CSc1ccccc1NC(=O)CSCc1ccccc1Br Brc1ccccc1[*:1] CSc1ccccc1NC(=O)CSC[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C(N)=O NC(=O)[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C(N)=O C[C@H](C(N)=O)[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C(N)=O CC(C)[*:1] C[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1)[*:1])C(N)=O
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C(N)=O c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N[C@H](C)C(N)=O
CCn1nc(C)c(C[NH+](C)Cc2csc(Br)c2)c1C Brc1cc(cs1)[*:1] CCn1nc(C)c(C[NH+](C)C[*:1])c1C
Cc1ccc(C(=O)N(C)[C@H](C)c2cccs2)cc1[N+](=O)[O-] C[C@H](c1cccs1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N(C)[*:1]
Cc1ccc(C(=O)N(C)[C@H](C)c2cccs2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)N(C)[C@H](C)c1cccs1
Cc1ccc(C(=O)N(C)[C@H](C)c2cccs2)cc1[N+](=O)[O-] c1csc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N(C)[C@H](C)[*:1]
C[C@H](O)C[C@H](C)CNC(=O)NCCC1=CCCCC1 C[C@H](O)C[*:1] C[C@H](CNC(=O)NCCC1=CCCCC1)[*:1]
C[C@H](O)C[C@H](C)CNC(=O)NCCC1=CCCCC1 C[C@H](O)[*:1] C[C@H](CNC(=O)NCCC1=CCCCC1)C[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)N(CC(N)=O)C(C)C)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N(CC(N)=O)C(C)C)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)N(CC(N)=O)C(C)C)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N(CC(N)=O)C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)N(CC(N)=O)C(C)C)C(C)C NC(=O)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N(C[*:1])C(C)C)C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)N(CC(N)=O)C(C)C)C(C)C NC(=O)C[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N(C(C)C)[*:1])C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)N(CC(N)=O)C(C)C)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N(CC(N)=O)[*:1])C(C)C
Cc1nc(CNc2ccccc2N2CCCC2=O)sc1C O=C1CCCN1[*:1] Cc1nc(CNc2ccccc2[*:1])sc1C
Cc1nc(CNc2ccccc2N2CCCC2=O)sc1C Cc1nc(sc1C)[*:1] O=C1CCCN1c1ccccc1NC[*:1]
Cc1cc(C(=O)N[C@@H](C)c2ccccc2)c(C)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1cc(C(=O)N[C@@H](C)c2ccccc2)c(C)n1[*:1]
Cc1cc(C(=O)N[C@@H](C)c2ccccc2)c(C)n1Cc1ccco1 c1coc(c1)[*:1] Cc1cc(C(=O)N[C@@H](C)c2ccccc2)c(C)n1C[*:1]
Cc1cc(C(=O)N[C@@H](C)c2ccccc2)c(C)n1Cc1ccco1 C[C@@H](c1ccccc1)[*:1] Cc1cc(C(=O)N[*:1])c(C)n1Cc1ccco1
Cc1cc(C(=O)N[C@@H](C)c2ccccc2)c(C)n1Cc1ccco1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N[C@@H](C)[*:1])c(C)n1Cc1ccco1
CC[C@H](C)CN(CC)C(=O)Cc1nc(CCl)cs1 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)Cc1nc(cs1)CCl
CC[C@H](C)CN(CC)C(=O)Cc1nc(CCl)cs1 CC[C@H](C)C[*:1] CCN(C(=O)Cc1nc(cs1)CCl)[*:1]
Cc1cccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4cccc(F)c4)c3C)n2)n1 Cc1cccc(n1)NC(=O)[*:1] Cc1nn(-c2nc(cs2)C[*:1])c(C)c1Cc1cccc(F)c1
Cc1cccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4cccc(F)c4)c3C)n2)n1 Cc1cccc(n1)[*:1] Cc1nn(-c2nc(cs2)CC(=O)N[*:1])c(C)c1Cc1cccc(F)c1
Cc1cccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4cccc(F)c4)c3C)n2)n1 Fc1cccc(c1)C[*:1] Cc1cccc(n1)NC(=O)Cc1csc(n1)-n1nc(C)c(c1C)[*:1]
Cc1cccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4cccc(F)c4)c3C)n2)n1 Fc1cccc(c1)[*:1] Cc1cccc(n1)NC(=O)Cc1csc(n1)-n1nc(C)c(C[*:1])c1C
Cc1cc(C[C@H](C)N[C@@H]2C[C@H](C)Sc3sccc32)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@@H](C[*:1])N[C@@H]1C[C@H](C)Sc2sccc21
COC(=O)[C@@H]1CN(C[C@@H]2CCC[C@H](C)C2)CCO1 COC(=O)[*:1] C[C@H]1CCC[C@H](C1)CN1CCO[C@@H](C1)[*:1]
C[C@@H](C(=O)N[C@H]1CCC(=O)NC1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@H]1CCC(=O)NC1)N1CCN(CC1)[*:1]
CCOC(=O)c1cnn(-c2ccc(C(C)(C)C)cc2)c1N CCOC(=O)[*:1] CC(C)(C)c1ccc(cc1)-n1ncc(c1N)[*:1]
CCOC(=O)c1cnn(-c2ccc(C(C)(C)C)cc2)c1N CC(C)(C)[*:1] CCOC(=O)c1cnn(-c2ccc(cc2)[*:1])c1N
Cc1ccn(-c2ncnc(OC(C)C)c2N)n1 CC(C)O[*:1] Cc1ccn(n1)-c1ncnc(c1N)[*:1]
Cc1ccn(-c2ncnc(OC(C)C)c2N)n1 CC(C)[*:1] Cc1ccn(n1)-c1ncnc(O[*:1])c1N
COC(=O)c1ccc(Nc2ncnc(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2[N+](=O)[O-])cc1 COC(=O)[*:1] CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(Nc3ccc(cc3)[*:1])c2[N+](=O)[O-])C1
COC(=O)c1ccc(Nc2ncnc(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)Nc1ncnc(c1[*:1])N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2
COC(=O)c1ccc(Nc2ncnc(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2[N+](=O)[O-])cc1 COC(=O)c1ccc(cc1)[*:1] CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(N[*:1])c2[N+](=O)[O-])C1
COc1ccc(O)c(-c2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)c1 c1ccc(cc1)[*:1] COc1ccc(O)c(c1)-c1nc2sc(cc2c(=O)[nH]1)[*:1]
CC(C)CCOc1cccc(N2C[C@H]([NH3+])CC2=O)c1 CC(C)[*:1] [NH3+][C@@H]1CC(=O)N(C1)c1cccc(c1)OCC[*:1]
CC(C)CCOc1cccc(N2C[C@H]([NH3+])CC2=O)c1 CC(C)CCO[*:1] [NH3+][C@@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
CC(C)CCOc1cccc(N2C[C@H]([NH3+])CC2=O)c1 CC(C)C[*:1] [NH3+][C@@H]1CC(=O)N(C1)c1cccc(c1)OC[*:1]
CC(C)CCOc1cccc(N2C[C@H]([NH3+])CC2=O)c1 CC(C)CC[*:1] [NH3+][C@@H]1CC(=O)N(C1)c1cccc(c1)O[*:1]
COc1cccc(NC(=O)[C@@H]2COC3(CCCCC3)N2C(=O)c2ccc(C(F)(F)F)cc2)c1 COc1cccc(c1)NC(=O)[*:1] O=C(c1ccc(cc1)C(F)(F)F)N1[C@@H](COC12CCCCC2)[*:1]
COc1cccc(NC(=O)[C@@H]2COC3(CCCCC3)N2C(=O)c2ccc(C(F)(F)F)cc2)c1 FC(F)(F)c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)[*:1]
COc1cccc(NC(=O)[C@@H]2COC3(CCCCC3)N2C(=O)c2ccc(C(F)(F)F)cc2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(cc1)C(F)(F)F
COc1cccc(NC(=O)[C@@H]2COC3(CCCCC3)N2C(=O)c2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] COc1cccc(c1)NC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(cc1)[*:1]
CC1=C(C)[C@H](c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)s2)N=N1 Clc1cccc(c1)[*:1] CC1N=N[C@H](C=1C)c1ccc(s1)S(=O)(=O)[N-][*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)CCc3cc(F)ccc3F)C2)c1 Fc1ccc(F)c(c1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)CC[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)CCc3cc(F)ccc3F)C2)c1 CCOC(=O)[*:1] O=C(CCc1cc(F)ccc1F)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)CCc3cc(F)ccc3F)C2)c1 Fc1ccc(F)c(c1)C[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)C[*:1]
COc1cc([C@H](C)NC(=O)c2cnn(C(C)C)c2C)ccc1F CC(C)[*:1] COc1cc(ccc1F)[C@H](C)NC(=O)c1cnn(c1C)[*:1]
COc1cccc(CNC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c1 COc1cccc(c1)C[*:1] O=C(Cn1cnc2c(csc2c1=O)-c1ccc(Cl)cc1)N[*:1]
COc1cccc(CNC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)Cn1cnc2c(csc2c1=O)[*:1]
COc1cccc(CNC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c1 COc1cccc(c1)[*:1] O=C(Cn1cnc2c(csc2c1=O)-c1ccc(Cl)cc1)NC[*:1]
O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C1=Cc2cc(F)ccc2OC1 FC(F)(F)C[*:1] O=C(N[C@@H]1CCN(C1=O)[*:1])C1=Cc2cc(F)ccc2OC1
O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C1=Cc2cc(F)ccc2OC1 FC(F)(F)[*:1] O=C(N[C@@H]1CCN(C[*:1])C1=O)C1=Cc2cc(F)ccc2OC1
C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H](NC(=O)c1cc2CCCc2s1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(-n2cncn2)cc1 c1c(sc2CCCc12)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-n1cncn1
CCN(c1ccccc1)S(=O)(=O)c1cc(-c2ccno2)oc1C c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1cc(oc1C)-c1ccno1)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1cc(-c2ccno2)oc1C c1cc(on1)[*:1] CCN(c1ccccc1)S(=O)(=O)c1cc(oc1C)[*:1]
CC(C)CCS(=O)(=O)/N=C(\[O-])C[C@@H]1CCC[C@@H](C)C1 CC(C)CC[*:1] C[C@@H]1CCC[C@@H](C/C([O-])=N/S(=O)(=O)[*:1])C1
CC(C)CCS(=O)(=O)/N=C(\[O-])C[C@@H]1CCC[C@@H](C)C1 CC(C)C[*:1] C[C@@H]1CCC[C@@H](C/C([O-])=N/S(=O)(=O)C[*:1])C1
CC(C)CCS(=O)(=O)/N=C(\[O-])C[C@@H]1CCC[C@@H](C)C1 CC(C)[*:1] C[C@@H]1CCC[C@@H](C/C([O-])=N/S(=O)(=O)CC[*:1])C1
CC[C@@H](C)N(C)c1cccc(F)c1C#N CC[C@@H](C)[*:1] CN(c1cccc(F)c1C#N)[*:1]
COc1ccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc23)cc1 COc1ccc(cc1)[*:1] Cc1ccc2cccc(NC(=S)NC(=O)[*:1])c2n1
O=C(NCc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1csc(c1)C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)C(=O)N[*:1]
O=C(NCc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(NCc1cccs1)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCc1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1csc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
CC1=C(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)c(C)c3)CC2)[C@@H](C)N=N1 Cc1cc(ccc1Br)[*:1] CC1N=N[C@H](C)C=1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@@H](CCO)CNc1ncccc1C(=O)N1CCc2ccccc21 OCC[*:1] C[C@@H](CNc1ncccc1C(=O)N1CCc2ccccc21)[*:1]
C=CCS/C(N)=C(C#N)/C(C#N)=C(\N)SCC=C C=CCS[*:1] C=CCS/C(N)=C(\C#N)C(C#N)=C(N)[*:1]
C=CCS/C(N)=C(C#N)/C(C#N)=C(\N)SCC=C C=CC[*:1] C=CCS/C(N)=C(C#N)/C(C#N)=C(\N)S[*:1]
COc1ccc(C)cc1N(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccccc1 O=C(Nc1ccccc1F)[*:1] COc1ccc(C)cc1N(C[*:1])S(=O)(=O)c1ccccc1
COc1ccc(C)cc1N(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1N(CC(=O)Nc1ccccc1F)S(=O)(=O)[*:1]
COc1ccc(C)cc1N(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccccc1 COc1ccc(C)cc1[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])Nc1ccccc1F
COc1ccc(C)cc1N(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccccc1 Fc1ccccc1[*:1] COc1ccc(C)cc1N(CC(=O)N[*:1])S(=O)(=O)c1ccccc1
CS(=O)(=O)c1ccc(-c2csc(=O)n2CC(=O)[O-])cc1 O=C([O-])[*:1] CS(=O)(=O)c1ccc(cc1)-c1csc(=O)n1C[*:1]
CS(=O)(=O)c1ccc(-c2csc(=O)n2CC(=O)[O-])cc1 CS(=O)(=O)[*:1] O=C([O-])Cn1c(csc1=O)-c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(-c2csc(=O)n2CC(=O)[O-])cc1 O=C([O-])C[*:1] CS(=O)(=O)c1ccc(cc1)-c1csc(=O)n1[*:1]
COC(=O)Cn1cnc2c(oc3nc(C)c4c(c32)CCCC4)c1=O COC(=O)[*:1] Cc1nc2oc3c(=O)n(cnc3c2c2CCCCc12)C[*:1]
COC(=O)Cn1cnc2c(oc3nc(C)c4c(c32)CCCC4)c1=O COC(=O)C[*:1] Cc1nc2oc3c(=O)n(cnc3c2c2CCCCc12)[*:1]
O=C(Nc1ccc(OC(=O)[C@@H]2CC=CCC2)cc1)C1CC1 C1CC1[*:1] O=C(Oc1ccc(cc1)NC(=O)[*:1])[C@@H]1CC=CCC1
O=C(Nc1ccc(OC(=O)[C@@H]2CC=CCC2)cc1)C1CC1 O=C(N[*:1])C1CC1 O=C(Oc1ccc(cc1)[*:1])[C@@H]1CC=CCC1
Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1C Cc1ccc(cc1C)O[*:1] O=C(C[*:1])NC[C@@H](c1cccs1)[NH+]1CCCCCC1
Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)OCC(=O)NC[C@@H]([NH+]1CCCCCC1)[*:1]
Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1C Cc1ccc(cc1C)[*:1] O=C(CO[*:1])NC[C@@H](c1cccs1)[NH+]1CCCCCC1
COC[C@](C)(NC(=O)NCc1ccc(OC)nc1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)NCc1ccc(nc1)OC)[*:1]
COC[C@](C)(NC(=O)NCc1ccc(OC)nc1)c1ccccc1 COc1ccc(cn1)[*:1] COC[C@](C)(NC(=O)NC[*:1])c1ccccc1
COC[C@](C)(NC(=O)NCc1ccc(OC)nc1)c1ccccc1 COC[*:1] COc1ccc(cn1)CNC(=O)N[C@@](C)(c1ccccc1)[*:1]
C[C@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1cccc(N2CCCC2)c1 c1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1cnn(n1)[*:1])c1cccc(c1)N1CCCC1
C[C@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H]([NH2+]Cc1cnn(n1)-c1ccccc1)c1cccc(c1)[*:1]
COC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)c1nccs1 c1csc(n1)[*:1] COC(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)[*:1]
CCn1ccnc1S[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 CCn1ccnc1[*:1] C[C@H](S[*:1])C(=O)Nc1ccccc1Cc1ccccc1
CCn1ccnc1S[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] CCn1ccnc1S[C@@H](C)C(=O)Nc1ccccc1C[*:1]
CCn1ccnc1S[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] CCn1ccnc1S[C@@H](C)C(=O)Nc1ccccc1[*:1]
CCn1ccnc1S[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 CCn1ccnc1S[*:1] C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[*:1]
C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)C[C@@H](C)O1 Fc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)N1CCN(CC1)C(=O)C=C[*:1]
C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)C[C@@H](C)O1 Fc1ccc(C=C[*:1])cc1 C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1Cc2ccccc2CN1C Cc1n[nH]c(C)c1[*:1] CN1Cc2ccccc2C[C@H]1C(=O)NCCC[*:1]
Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1Cc2ccccc2CN1C Cc1n[nH]c(C)c1C[*:1] CN1Cc2ccccc2C[C@H]1C(=O)NCC[*:1]
[NH3+][C@@H]1CCC[C@@H]1CCn1cc[nH+]c1-c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@@H]1CCC[C@@H]1CCn1cc[nH+]c1[*:1]
CN(C)[C@@H](C(=O)Oc1cccc(F)c1F)c1c(F)cccc1F CN(C)[*:1] O=C(Oc1cccc(F)c1F)[C@@H](c1c(F)cccc1F)[*:1]
CC(C)c1ccccc1NC(=O)c1cnn2c1OCCC2 CC(C)[*:1] O=C(Nc1ccccc1[*:1])c1cnn2CCCOc12
CSc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)cc1 CSc1ccc(cc1)C[*:1] O=C(NC[*:1])c1ccc2Sc3ccccc3C(=O)Nc2c1
CSc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)cc1 CSc1ccc(cc1)[*:1] O=C(NCC[*:1])c1ccc2Sc3ccccc3C(=O)Nc2c1
C[C@@H]1CC[C@H]([C@@H](C)Cl)[C@H](C)C1 C[C@@H](Cl)[*:1] C[C@@H]1CC[C@H]([C@H](C)C1)[*:1]
C[NH+](C)[C@@H](CNC(=O)C1(c2ccccc2)CCC1)C1CC1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)C1(CCC1)c1ccccc1)[*:1]
C[NH+](C)[C@@H](CNC(=O)C1(c2ccccc2)CCC1)C1CC1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)C1(CCC1)[*:1])C1CC1
C1=N[C@@H](n2cccc2CN2CCC[C@H](c3ccn[nH]3)C2)SC1 c1cc([nH]n1)[*:1] C1CS[C@@H](N=1)n1cccc1CN1CCC[C@H](C1)[*:1]
Cc1cc2c(=O)n(CC(=O)N(CC#N)c3ccccc3)cnc2s1 c1ccc(cc1)[*:1] Cc1cc2c(=O)n(cnc2s1)CC(=O)N(CC#N)[*:1]
Cc1cc2c(=O)n(CC(=O)N(CC#N)c3ccccc3)cnc2s1 N#CC[*:1] Cc1cc2c(=O)n(cnc2s1)CC(=O)N(c1ccccc1)[*:1]
CCCCn1nc(C(=O)Nc2ccccc2C(C)C)ccc1=O CCCC[*:1] CC(C)c1ccccc1NC(=O)c1ccc(=O)n(n1)[*:1]
CCCCn1nc(C(=O)Nc2ccccc2C(C)C)ccc1=O CC(C)[*:1] CCCCn1nc(ccc1=O)C(=O)Nc1ccccc1[*:1]
CCCCn1nc(C(=O)Nc2ccccc2C(C)C)ccc1=O CCC[*:1] CC(C)c1ccccc1NC(=O)c1ccc(=O)n(C[*:1])n1
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc4c(c3)CCC4)c2)C[C@H](C)O1 c1cc2CCCc2cc1[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)O[*:1]
O=c1c2c(ncn1Cc1ccccc1Cl)c1cc(F)ccc1n2Cc1cc(=O)n2ccccc2n1 Clc1ccccc1C[*:1] O=c1c2c(ncn1[*:1])c1cc(F)ccc1n2Cc1cc(=O)n2ccccc2n1
O=c1c2c(ncn1Cc1ccccc1Cl)c1cc(F)ccc1n2Cc1cc(=O)n2ccccc2n1 Clc1ccccc1[*:1] O=c1c2c(ncn1C[*:1])c1cc(F)ccc1n2Cc1cc(=O)n2ccccc2n1
O=c1c2c(ncn1Cc1ccccc1Cl)c1cc(F)ccc1n2Cc1cc(=O)n2ccccc2n1 O=c1cc(nc2ccccn12)[*:1] O=c1c2c(ncn1Cc1ccccc1Cl)c1cc(F)ccc1n2C[*:1]
CSc1cc(C(=O)COc2ccc(C(C)=O)cc2)ccc1NC(C)=O CC(=O)N[*:1] CSc1cc(ccc1[*:1])C(=O)COc1ccc(cc1)C(C)=O
CSc1cc(C(=O)COc2ccc(C(C)=O)cc2)ccc1NC(C)=O CC(=O)[*:1] CSc1cc(ccc1NC(C)=O)C(=O)COc1ccc(cc1)[*:1]
C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC(C(N)=O)CC2)[C@@H]1C NC(=O)[*:1] C[C@@H]1CCCN(c2ccc(cc2S(=O)(=O)N2CCC(CC2)[*:1])[N+](=O)[O-])[C@@H]1C
C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC(C(N)=O)CC2)[C@@H]1C O=[N+]([O-])[*:1] C[C@@H]1CCCN(c2ccc(cc2S(=O)(=O)N2CCC(CC2)C(N)=O)[*:1])[C@@H]1C
CC(C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2F)CC1 CC(C)[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1cccc(Cl)c1F
CC(C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2F)CC1 CC(C)NC(=O)[*:1] Fc1c(Cl)cccc1C[NH+]1CCC(CC1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C CC[C@H](C)[C@@H](C)[*:1] C[C@H]1[C@H](CCN1C(=O)N[*:1])C(=O)[O-]
CC[C@H](C)[C@@H](C)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C CC[C@H](C)[*:1] C[C@H]1[C@H](CCN1C(=O)N[C@H](C)[*:1])C(=O)[O-]
CC[C@H](C)[C@@H](C)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] CC[C@H](C)[C@@H](C)NC(=O)N1CC[C@H]([C@@H]1C)[*:1]
C/C(=C/C(=O)N[C@@H](C)Cn1cc[nH+]c1)CCc1ccccc1 c1ccc(cc1)[*:1] C/C(=C/C(=O)N[C@@H](C)Cn1cc[nH+]c1)CC[*:1]
C/C(=C/C(=O)N[C@@H](C)Cn1cc[nH+]c1)CCc1ccccc1 c1ccc(cc1)C[*:1] C/C(=C/C(=O)N[C@@H](C)Cn1cc[nH+]c1)C[*:1]
O=C1NCCC[C@@H]1C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C1NCCC[C@@H]1C(=O)N1CCCC(C1)(c1ccccc1)[*:1]
Clc1ccccc1C1(CCCc2ccccc2)C[NH2+]C1 c1ccc(cc1)[*:1] Clc1ccccc1C1(CCC[*:1])C[NH2+]C1
CCOC1=CC2=NC(SCc3nc4ncccn4c3Br)=NC2=CC1 CCO[*:1] Brc1c(CSC2=NC3=CCC(=CC3=N2)[*:1])nc2ncccn12
O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N[*:1]
N#C[C@H]1CNCCN1S(=O)(=O)C(F)(F)F FC(F)(F)[*:1] N#C[C@H]1CNCCN1S(=O)(=O)[*:1]
CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 CCO[*:1] O=C(/C=C/c1ccc(cc1)[*:1])c1ccc2OCOc2c1
CCOC(=O)[C@H](F)Oc1ccc(C)cc1Br CCOC(=O)[*:1] Cc1ccc(O[C@@H](F)[*:1])c(Br)c1
Cc1nc(COc2cccc(C(=O)Nc3ccc(C#N)cn3)c2)no1 Cc1nc(CO[*:1])no1 N#Cc1ccc(nc1)NC(=O)c1cccc(c1)[*:1]
Cc1nc(COc2cccc(C(=O)Nc3ccc(C#N)cn3)c2)no1 Cc1nc(no1)[*:1] N#Cc1ccc(nc1)NC(=O)c1cccc(c1)OC[*:1]
Cc1nc(COc2cccc(C(=O)Nc3ccc(C#N)cn3)c2)no1 Cc1nc(C[*:1])no1 N#Cc1ccc(nc1)NC(=O)c1cccc(c1)O[*:1]
Cc1nc(COc2cccc(C(=O)Nc3ccc(C#N)cn3)c2)no1 N#Cc1ccc(nc1)[*:1] Cc1nc(COc2cccc(c2)C(=O)N[*:1])no1
CCn1nc(C)c(NC(=S)Nc2sc(C)cc2C(=O)OC)c1C COC(=O)[*:1] CCn1nc(C)c(NC(=S)Nc2sc(C)cc2[*:1])c1C
CC(C)(CNC(=O)C(=O)Nc1ccccc1N1CCCCCC1)c1ccncc1 C1CCCN(CC1)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccccc1[*:1])c1ccncc1
CC(C)(CNC(=O)C(=O)Nc1ccccc1N1CCCCCC1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccccc1N1CCCCCC1)[*:1]
CC(C)(CNC(=O)C(=O)Nc1ccccc1N1CCCCCC1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1N1CCCCCC1
C[C@H](NC(=O)c1ccc2c(c1)COCO2)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H](NC(=O)c1ccc2OCOCc2c1)c1cccc(c1)O[*:1]
C[C@H](NC(=O)c1ccc2c(c1)COCO2)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H](NC(=O)c1ccc2OCOCc2c1)c1cccc(c1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCS(=O)(=O)CC1
COc1cccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)c1 COc1cccc(c1)[*:1] O=C(CNC(=O)c1cccc2ccccc12)NN=C[*:1]
O=C(Nc1ccccc1C(=O)[O-])c1ccncc1 O=C([O-])[*:1] O=C(Nc1ccccc1[*:1])c1ccncc1
O=C(Nc1ccccc1C(=O)[O-])c1ccncc1 c1cc(ccn1)[*:1] O=C([O-])c1ccccc1NC(=O)[*:1]
CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 CCC[*:1] c1ccc(cc1)N1CC[NH+](CC1)[C@H](c1nnnn1C[C@@H]1CCCO1)[*:1]
CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 C1CO[C@@H](C1)C[*:1] CCC[C@@H](c1nnnn1[*:1])[NH+]1CCN(CC1)c1ccccc1
CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 C1CO[C@@H](C1)[*:1] CCC[C@@H](c1nnnn1C[*:1])[NH+]1CCN(CC1)c1ccccc1
CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(CC1)[*:1]
C=CCCCSc1ccc(N)c(F)c1 C=CCC[*:1] Nc1ccc(cc1F)SC[*:1]
C=CCCCSc1ccc(N)c(F)c1 C=CC[*:1] Nc1ccc(cc1F)SCC[*:1]
C[NH+](CC(=O)Nc1cccc(F)c1)Cc1ccc2ccccc2c1 Fc1cccc(c1)[*:1] C[NH+](CC(=O)N[*:1])Cc1ccc2ccccc2c1
Cc1nn(-c2nc3ccccc3n2C)c2c1[C@@H](c1ccc(Br)cc1)CC(=O)N2 Brc1ccc(cc1)[*:1] Cc1nn(c2NC(=O)C[C@H](c12)[*:1])-c1nc2ccccc2n1C
CCOC(=O)C[C@H](C)CNC(=O)N1C[C@H](C)O[C@@H](CC)C1 CCOC(=O)[*:1] CC[C@H]1CN(C[C@H](C)O1)C(=O)NC[C@@H](C)C[*:1]
CCOC(=O)C[C@H](C)CNC(=O)N1C[C@H](C)O[C@@H](CC)C1 CCOC(=O)C[*:1] CC[C@H]1CN(C[C@H](C)O1)C(=O)NC[C@@H](C)[*:1]
Cc1nnc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)o1 Cc1nnc(C[*:1])o1 O=C(N[*:1])C1CCN(CC1)c1nc2ccccc2s1
Cc1nnc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)o1 Cc1nnc(o1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1nc2ccccc2s1
CCCN1C(=O)CCc2cc(NC(=O)c3ccnc(F)c3)ccc21 Fc1cc(ccn1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)c3ccnc(F)c3)ccc21 CCC[*:1] O=C(Nc1ccc2c(c1)CCC(=O)N2[*:1])c1ccnc(F)c1
CS(=O)(=O)[C@@H]1CCC[C@H](OC(=O)c2cc(Cl)ccc2N)C1 CS(=O)(=O)[*:1] Nc1ccc(Cl)cc1C(=O)O[C@H]1CCC[C@H](C1)[*:1]
CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nnc1N1CCOCC1 C1CN(CCO1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C
C[C@H](O)CN(C)C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 C[C@H](O)C[*:1] C[C@@H](NC(=O)N(C)[*:1])c1cccc(c1)N1CCCC1=O
C[C@H](O)CN(C)C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@H](O)CN(C)C(=O)N[C@H](C)c1cccc(c1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 C[C@H](O)[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1cccc(c1)N1CCCC1=O
CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N[C@H](C)[C@@H](C)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N[C@H](C)[*:1]
[NH2+]=c1c2c(ncn1CC[NH+]1CCOCC1)Oc1c(ccc3ccccc13)[C@H]2c1ccccc1 c1ccc(cc1)[*:1] [NH2+]=c1c2c(ncn1CC[NH+]1CCOCC1)Oc1c(ccc3ccccc13)[C@@H]2[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NNC(=O)c2ccccc2)C1 CC(C)[*:1] O=C(C[C@@H]1CCCN(C1)C(=O)NC[*:1])NNC(=O)c1ccccc1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NNC(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NNC(=O)[*:1])C1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NNC(=O)c2ccccc2)C1 CC(C)C[*:1] O=C(C[C@@H]1CCCN(C1)C(=O)N[*:1])NNC(=O)c1ccccc1
CCCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1OC CCCO[*:1] COc1cc(/C=C/C(=O)Nc2cccc(Cl)c2)ccc1[*:1]
CCCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1OC Clc1cccc(c1)[*:1] CCCOc1ccc(/C=C/C(=O)N[*:1])cc1OC
CCCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1OC CCC[*:1] COc1cc(/C=C/C(=O)Nc2cccc(Cl)c2)ccc1O[*:1]
O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1cccc(I)c1 Ic1cccc(c1)[*:1] O=C(NC(=S)Nc1ccc(F)c(Cl)c1)[*:1]
CN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)CCCC1CCCCC1 C1CCC(CC1)C[*:1] CN(C)c1ccc(cc1NC(=O)CC[*:1])S(N)(=O)=O
CN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)CCCC1CCCCC1 C1CCC(CC1)CC[*:1] CN(C)c1ccc(cc1NC(=O)C[*:1])S(N)(=O)=O
CN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)CCCC1CCCCC1 C1CCC(CC1)[*:1] CN(C)c1ccc(cc1NC(=O)CCC[*:1])S(N)(=O)=O
CN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)CCCC1CCCCC1 CN(C)[*:1] NS(=O)(=O)c1ccc(c(c1)NC(=O)CCCC1CCCCC1)[*:1]
CN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)CCCC1CCCCC1 NS(=O)(=O)[*:1] CN(C)c1ccc(cc1NC(=O)CCCC1CCCCC1)[*:1]
CCc1nc(N)sc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCc1nc(N)sc1C(=O)N1CCC(CC1)C[*:1]
CCc1nc(N)sc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] CCc1nc(N)sc1C(=O)N1CCC(CC1)[*:1]
CCc1nc(N)sc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 CCc1nc(N)sc1[*:1] O=C(N1CCC(CC1)Cc1ccc(F)cc1)[*:1]
CC(C)N(C)c1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1F CC(C)N(C)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
CC(C)N(C)c1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1F CC(C)[*:1] CN(c1ccc(cc1F)NC(=O)N1CCN(CC1)C(=O)[C@H]1CCCO1)[*:1]
Cc1cc(C(=O)[O-])c2c(C)nn(-c3ccccc3)c2n1 O=C([O-])[*:1] Cc1cc(c2c(C)nn(-c3ccccc3)c2n1)[*:1]
Cc1cc(C(=O)[O-])c2c(C)nn(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)[O-])c2c(C)nn(c2n1)[*:1]
Cc1nnc([C@H](C)S(=O)(=O)Cc2csc(C3CCCCC3)n2)o1 Cc1nnc(o1)[*:1] C[C@H](S(=O)(=O)Cc1csc(n1)C1CCCCC1)[*:1]
Cc1nnc([C@H](C)S(=O)(=O)Cc2csc(C3CCCCC3)n2)o1 C1CCC(CC1)[*:1] Cc1nnc(o1)[C@H](C)S(=O)(=O)Cc1csc(n1)[*:1]
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C#N)cnn32)ccc1O COc1cc(ccc1O)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1[C@H]2[*:1]
COCCNC(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21 Fc1ccccc1[*:1] COCCNC(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
COCCNC(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21 COC[*:1] O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)NC[*:1]
COCCNC(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21 COCC[*:1] O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)N[*:1]
COCCNC(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21 COCCNC(=O)C[*:1] O=c1c2sccc2n(c(=O)n1Cc1ccccc1F)[*:1]
COCCNC(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21 COCCNC(=O)[*:1] O=c1c2sccc2n(C[*:1])c(=O)n1Cc1ccccc1F
COCCNC(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21 Fc1ccccc1C[*:1] COCCNC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
O=C(NCc1cccc(OCC(F)F)n1)N[C@H]1C[C@H]2CC[C@@H]1O2 FC(F)CO[*:1] O=C(NCc1cccc(n1)[*:1])N[C@H]1C[C@H]2CC[C@@H]1O2
O=C(NCc1cccc(OCC(F)F)n1)N[C@H]1C[C@H]2CC[C@@H]1O2 FC(F)[*:1] O=C(NCc1cccc(n1)OC[*:1])N[C@H]1C[C@H]2CC[C@@H]1O2
O=C(NCc1cccc(OCC(F)F)n1)N[C@H]1C[C@H]2CC[C@@H]1O2 FC(F)C[*:1] O=C(NCc1cccc(n1)O[*:1])N[C@H]1C[C@H]2CC[C@@H]1O2
CC(C)CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1 CC(C)C[*:1] CN(c1ccc(cn1)C(=O)N1CCCC[C@@H]1CCn1cccn1)[*:1]
CC(C)CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1 c1cnn(c1)C[*:1] CC(C)CN(C)c1ccc(cn1)C(=O)N1CCCC[C@@H]1C[*:1]
CC(C)CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1 c1cnn(c1)[*:1] CC(C)CN(C)c1ccc(cn1)C(=O)N1CCCC[C@@H]1CC[*:1]
CC(C)CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1 CC(C)[*:1] CN(C[*:1])c1ccc(cn1)C(=O)N1CCCC[C@@H]1CCn1cccn1
CC(C)CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1 c1cnn(c1)CC[*:1] CC(C)CN(C)c1ccc(cn1)C(=O)N1CCCC[C@H]1[*:1]
CC(C)CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1 CC(C)CN(C)[*:1] O=C(c1ccc(nc1)[*:1])N1CCCC[C@@H]1CCn1cccn1
O=S(=O)(c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1)N1CCCCC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(nc1)N1CCN(CC1)C(c1ccccc1)[*:1])N1CCCCC1
O=S(=O)(c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] c1ccc(cc1)C(c1ccccc1)N1CCN(CC1)c1ccc(cn1)[*:1]
CCc1ccc(N2C(=O)CS[C@@H]2c2cc(OC)ccc2OC)cc1 CCc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@H]1SCC(=O)N1[*:1]
COC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1F N#Cc1ccc(cc1)O[*:1] COC(=O)c1ccc(cc1F)C[NH+]1CCC(CC1)[*:1]
COC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1F N#Cc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1F)C[NH+]1CCC(CC1)O[*:1]
COC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1F COC(=O)[*:1] N#Cc1ccc(cc1)OC1CC[NH+](CC1)Cc1ccc(c(F)c1)[*:1]
COc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccc(C(C)C)cc32)cc1 CC(C)[*:1] COc1ccc(cc1)-n1ncc2c1N=C(O)C[C@@]21C(=O)Nc2ccc(cc21)[*:1]
COc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccc(C(C)C)cc32)cc1 COc1ccc(cc1)[*:1] CC(C)c1ccc2NC(=O)[C@@]3(CC(O)=Nc4c3cnn4[*:1])c2c1
COc1ccc(-c2nc(CNC(=O)c3ccccc3Cl)no2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-c1nc(CNC(=O)[*:1])no1
COc1ccc(-c2nc(CNC(=O)c3ccccc3Cl)no2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1noc(n1)[*:1])c1ccccc1Cl
Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)c3ccc4c(c3)OCO4)nc12 c1ccc(C[*:1])nc1 Cc1c(Cl)ccc2sc(nc12)N(C(=O)c1ccc2OCOc2c1)[*:1]
Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)c3ccc4c(c3)OCO4)nc12 c1cc2OCOc2cc1[*:1] Cc1c(Cl)ccc2sc(nc12)N(Cc1ccccn1)C(=O)[*:1]
Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)c3ccc4c(c3)OCO4)nc12 c1ccc(nc1)[*:1] Cc1c(Cl)ccc2sc(nc12)N(C[*:1])C(=O)c1ccc2OCOc2c1
O=C(CNC(=O)c1ccn(-c2cccc(F)c2)n1)Nc1cn[nH]c1 O=C(Nc1cn[nH]c1)[*:1] O=C(NC[*:1])c1ccn(n1)-c1cccc(F)c1
O=C(CNC(=O)c1ccn(-c2cccc(F)c2)n1)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(CNC(=O)c1ccn(n1)-c1cccc(F)c1)N[*:1]
O=C(CNC(=O)c1ccn(-c2cccc(F)c2)n1)Nc1cn[nH]c1 Fc1cccc(c1)[*:1] O=C(CNC(=O)c1ccn(n1)[*:1])Nc1cn[nH]c1
O=C(Nc1ccccc1Br)N[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1Br)N[C@H](c1ccccc1)c1nnc(o1)[*:1]
O=C(Nc1ccccc1Br)N[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1Br)N[C@H](c1nnc(o1)-c1ccccc1)[*:1]
O=C(Nc1ccccc1Br)N[C@H](c1ccccc1)c1nnc(-c2ccccc2)o1 Brc1ccccc1[*:1] O=C(N[C@H](c1ccccc1)c1nnc(o1)-c1ccccc1)N[*:1]
CC(C)/C(=C\c1cc(Cl)c2c(c1)OCO2)CO CC(C)[*:1] OC/C(=C/c1cc(Cl)c2OCOc2c1)[*:1]
CN(CC1CCOCC1)C(=O)Nc1ccc(F)cc1OCC(F)F C1CC(CCO1)C[*:1] CN(C(=O)Nc1ccc(F)cc1OCC(F)F)[*:1]
CN(CC1CCOCC1)C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)CO[*:1] CN(CC1CCOCC1)C(=O)Nc1ccc(F)cc1[*:1]
CN(CC1CCOCC1)C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)[*:1] CN(CC1CCOCC1)C(=O)Nc1ccc(F)cc1OC[*:1]
CN(CC1CCOCC1)C(=O)Nc1ccc(F)cc1OCC(F)F C1CC(CCO1)[*:1] CN(C[*:1])C(=O)Nc1ccc(F)cc1OCC(F)F
CN(CC1CCOCC1)C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)C[*:1] CN(CC1CCOCC1)C(=O)Nc1ccc(F)cc1O[*:1]
COC(=O)c1cc(S(=O)(=O)N2C[C@H]3CC=CC[C@H]3C2)ccc1C COC(=O)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N1C[C@H]2CC=CC[C@H]2C1
C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1nc2ccccc2s1 CC(C)(C)S(=O)(=O)[*:1] C[C@@H](NCC[*:1])c1nc2ccccc2s1
C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1nc2ccccc2s1 CC(C)(C)[*:1] C[C@@H](NCCS(=O)(=O)[*:1])c1nc2ccccc2s1
O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1cccc(F)c1F O=[N+]([O-])[*:1] O=c1oc2ccc(cc2n1Cc1cccc(F)c1F)[*:1]
CCc1noc(Cn2ccc(-c3ccsc3)n2)n1 c1cc(cs1)[*:1] CCc1noc(Cn2ccc(n2)[*:1])n1
CCOc1ccc(-c2cc(CO)[nH]n2)cc1 CCO[*:1] OCc1cc(n[nH]1)-c1ccc(cc1)[*:1]
CCOc1ccc(N(CC(=O)N[C@H]2C=C(C)N=N2)C2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 CCOc1ccc(cc1)[*:1] CC1=C[C@@H](N=N1)NC(=O)CN(C1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2S1)[*:1]
CCOc1ccc(N(CC(=O)N[C@H]2C=C(C)N=N2)C2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 CCO[*:1] CC1=C[C@@H](N=N1)NC(=O)CN(C1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2S1)c1ccc(cc1)[*:1]
Cc1sc2ncn(CC(=O)Nc3nc(-c4ccc(Br)cc4)cs3)c(=O)c2c1C Brc1ccc(cc1)[*:1] Cc1sc2ncn(CC(=O)Nc3nc(cs3)[*:1])c(=O)c2c1C
Cc1cc(NC(=O)[C@H](Sc2cccc(F)c2)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@H](Sc1cccc(F)c1)[*:1]
Cc1cc(NC(=O)[C@H](Sc2cccc(F)c2)c2ccccc2)no1 Fc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)[C@H](S[*:1])c1ccccc1
Cc1cc(NC(=O)[C@H](Sc2cccc(F)c2)c2ccccc2)no1 Fc1cccc(c1)S[*:1] Cc1cc(no1)NC(=O)[C@H](c1ccccc1)[*:1]
Cc1cc(NC(=O)[C@H](Sc2cccc(F)c2)c2ccccc2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])[C@H](Sc1cccc(F)c1)c1ccccc1
CCCN(CC(F)F)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl FC(F)[*:1] CCCN(C[*:1])S(=O)(=O)c1cc(c(C)cc1Cl)[N+](=O)[O-]
CCCN(CC(F)F)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl FC(F)C[*:1] CCCN(S(=O)(=O)c1cc(c(C)cc1Cl)[N+](=O)[O-])[*:1]
CCCN(CC(F)F)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl O=[N+]([O-])[*:1] CCCN(CC(F)F)S(=O)(=O)c1cc(c(C)cc1Cl)[*:1]
CCCN(CC(F)F)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl CCC[*:1] Cc1cc(Cl)c(cc1[N+](=O)[O-])S(=O)(=O)N(CC(F)F)[*:1]
CCN1CCO[C@@H](CSc2nnnn2CCO)C1 OCC[*:1] CCN1CCO[C@@H](CSc2nnnn2[*:1])C1
O=C(/N=c1\sccn1Cc1ccccc1F)c1cnc2n1CCCC2 Fc1ccccc1C[*:1] O=C(/N=c1\sccn1[*:1])c1cnc2CCCCn12
O=C(/N=c1\sccn1Cc1ccccc1F)c1cnc2n1CCCC2 Fc1ccccc1[*:1] O=C(/N=c1\sccn1C[*:1])c1cnc2CCCCn12
C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@@H](CO)c1ccccc1 Oc1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H](CO)c1ccccc1
C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@@H](CO)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@@H](CO)[*:1]
C[C@@H](CCc1ccc(O)cc1)NC(=O)N[C@@H](CO)c1ccccc1 Oc1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)N[C@@H](CO)c1ccccc1
CCCOC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2O)cc1 CCCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H]1CCCC[C@H]1O
CCCOC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2O)cc1 CCC[*:1] O=C(Nc1ccc(cc1)C(=O)O[*:1])N[C@H]1CCCC[C@H]1O
CC(C)COC(=O)N1CCC([NH2+]C[C@@](C)(O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] CC(C)COC(=O)N1CCC(CC1)[NH2+]C[C@@](C)(O)[*:1]
CC(C)COC(=O)N1CCC([NH2+]C[C@@](C)(O)c2ccc(F)cc2F)CC1 CC(C)C[*:1] C[C@@](O)(C[NH2+]C1CCN(CC1)C(=O)O[*:1])c1ccc(F)cc1F
CC(C)COC(=O)N1CCC([NH2+]C[C@@](C)(O)c2ccc(F)cc2F)CC1 CC(C)[*:1] C[C@@](O)(C[NH2+]C1CCN(CC1)C(=O)OC[*:1])c1ccc(F)cc1F
CC(=O)Nc1ccc(C)c(NC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)c1 CC(=O)N[*:1] Cc1ccc(cc1C)[C@@H]1CCCN1C(=O)Nc1cc(ccc1C)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)N1CCC[C@@H]1[*:1]
CC[C@H](OC1CCCC1)C(=O)Nc1cccc(C)n1 C1CCC(C1)[*:1] CC[C@H](O[*:1])C(=O)Nc1cccc(C)n1
CC[C@H](OC1CCCC1)C(=O)Nc1cccc(C)n1 C1CCC(C1)O[*:1] CC[C@H](C(=O)Nc1cccc(C)n1)[*:1]
Cc1cccn2cc(-c3ccc(NC(=O)C[C@@H](NC(N)=O)c4ccccc4)cc3)nc12 c1ccc(cc1)[*:1] Cc1cccn2cc(nc12)-c1ccc(cc1)NC(=O)C[C@@H](NC(N)=O)[*:1]
Cc1cccn2cc(-c3ccc(NC(=O)C[C@@H](NC(N)=O)c4ccccc4)cc3)nc12 NC(=O)N[*:1] Cc1cccn2cc(nc12)-c1ccc(cc1)NC(=O)C[C@@H](c1ccccc1)[*:1]
Cc1cccn2cc(-c3ccc(NC(=O)C[C@@H](NC(N)=O)c4ccccc4)cc3)nc12 Cc1cccn2cc(nc12)[*:1] NC(=O)N[C@H](CC(=O)Nc1ccc(cc1)[*:1])c1ccccc1
O=Cc1cc(Cn2nc(C(F)(F)F)cc2C2CC2)cs1 C1CC1[*:1] O=Cc1cc(cs1)Cn1nc(cc1[*:1])C(F)(F)F
O=Cc1cc(Cn2nc(C(F)(F)F)cc2C2CC2)cs1 FC(F)(F)[*:1] O=Cc1cc(cs1)Cn1nc(cc1C1CC1)[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)NCCOc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)NCCO[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)NCCOc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)NCC[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)NCCOc1ccccc1 c1cc(co1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NCCOc1ccccc1
C[C@@](O)(CNc1ccc2cc(C#N)ccc2n1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@](O)(CNc1ccc2cc(C#N)ccc2n1)[*:1]
CC(C)[NH2+]CC1(C[C@H]2COc3ccccc32)CCCCC1 CC(C)[*:1] c1ccc2c(c1)OC[C@@H]2CC1(CCCCC1)C[NH2+][*:1]
CCN(C(=O)CCCc1ccc(OC)c(F)c1)C1CC1 C1CC1[*:1] CCN(C(=O)CCCc1ccc(OC)c(F)c1)[*:1]
COc1ccc(NC(=O)CCc2ccccc2F)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)NC(=O)CC[*:1]
Cn1cc(C[NH+]2CCC(c3nc[nH]n3)CC2)c(-c2cccnc2)n1 c1cncc(c1)[*:1] Cn1cc(C[NH+]2CCC(CC2)c2nc[nH]n2)c(n1)[*:1]
Cn1cc(C[NH+]2CCC(c3nc[nH]n3)CC2)c(-c2cccnc2)n1 c1nc(n[nH]1)[*:1] Cn1cc(C[NH+]2CCC(CC2)[*:1])c(n1)-c1cccnc1
O=C1NC(=O)c2c(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cccc21 c1ccc(cc1)[*:1] O=C1NC(=O)c2c(cccc21)NC(=O)c1cc(nc2ccccc12)[*:1]
O[C@H]1CCC[C@@H]1CNc1nc(Br)cn2ccnc12 O[C@H]1CCC[C@H]1[*:1] Brc1cn2ccnc2c(n1)NC[*:1]
CCOCc1ccc(NC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1 CCO[*:1] O=C(Cc1csc(n1)-c1nc[nH]n1)Nc1ccc(cc1)C[*:1]
CCOCc1ccc(NC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1 CCOC[*:1] O=C(Cc1csc(n1)-c1nc[nH]n1)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)C(=O)N1CCCC[C@@H]1C c1cnn(c1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)C[*:1])C(=O)N1CCCC[C@@H]1C
C[C@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)C(=O)N1CCCC[C@@H]1C C[C@H]1CCCCN1C(=O)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)Cn1cccn1)[*:1]
C[C@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)C(=O)N1CCCC[C@@H]1C c1cnn(c1)C[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])C(=O)N1CCCC[C@@H]1C
CC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(cc1)OC[*:1]
CC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] CC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(cc1)O[*:1]
CC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)CO[*:1] CC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(cc1)[*:1]
Cc1cccc(N2C(N)=[NH+]C[C@H]2c2cc(Br)cs2)c1 Brc1csc(c1)[*:1] Cc1cccc(c1)N1C(N)=[NH+]C[C@@H]1[*:1]
Cn1cnc([N+](=O)[O-])c1C#N O=[N+]([O-])[*:1] Cn1cnc(c1C#N)[*:1]
Cc1ccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc1Cl c1ccc(nc1)[*:1] Cc1ccc(cc1Cl)NC(=O)CSc1ccc(nn1)[*:1]
Cc1ccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(CSc1ccc(nn1)-c1ccccn1)N[*:1]
C[C@@H](OCc1ccccc1)C(=O)NC[C@H](O)c1ccc(F)cc1 c1ccc(cc1)C[*:1] C[C@@H](O[*:1])C(=O)NC[C@H](O)c1ccc(F)cc1
C[C@@H](OCc1ccccc1)C(=O)NC[C@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](OCc1ccccc1)C(=O)NC[C@H](O)[*:1]
C[C@@H](OCc1ccccc1)C(=O)NC[C@H](O)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H](OC[*:1])C(=O)NC[C@H](O)c1ccc(F)cc1
CCc1nn(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc3sccc3n12 c1cc2OCOc2cc1[*:1] CCc1nn(CC(=O)NC[*:1])c(=O)c2cc3sccc3n12
Cc1sc2nc(CN3CCOCC3)nc(NCc3cccnc3)c2c1C C1CN(CCO1)C[*:1] Cc1sc2nc(nc(NCc3cccnc3)c2c1C)[*:1]
Cc1sc2nc(CN3CCOCC3)nc(NCc3cccnc3)c2c1C c1cncc(c1)CN[*:1] Cc1sc2nc(CN3CCOCC3)nc(c2c1C)[*:1]
Cc1sc2nc(CN3CCOCC3)nc(NCc3cccnc3)c2c1C c1cncc(c1)C[*:1] Cc1sc2nc(CN3CCOCC3)nc(N[*:1])c2c1C
Cc1sc2nc(CN3CCOCC3)nc(NCc3cccnc3)c2c1C c1cncc(c1)[*:1] Cc1sc2nc(CN3CCOCC3)nc(NC[*:1])c2c1C
Cc1sc2nc(CN3CCOCC3)nc(NCc3cccnc3)c2c1C C1CN(CCO1)[*:1] Cc1sc2nc(C[*:1])nc(NCc3cccnc3)c2c1C
CC(C)(C)c1n[nH]c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 FC(F)(F)[*:1] CC(C)(C)c1n[nH]c2OC(N)=C(C#N)[C@@H](c3ccc(cc3)[*:1])c12
CC(C)(C)c1n[nH]c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 CC(C)(C)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@@H]1c1ccc(cc1)C(F)(F)F)[*:1]
CC[C@H](CCO)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 OCC[*:1] CC[C@H](NC(=O)Nc1ccc(c(Cl)c1)[N+](=O)[O-])[*:1]
CC[C@H](CCO)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 CC[C@H](CCO)[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N[*:1]
CC[C@H](CCO)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] CC[C@H](CCO)NC(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1cc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)on1 C1CC1[*:1] Cc1cc(on1)C(=O)N(Cc1ccc(o1)[C@H]1C[C@H]1C)[*:1]
Cc1cc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)on1 Cc1cc(on1)[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[*:1])C2CC2)o1
C[C@]1(C(=O)NCCCN2CCOCC2)Sc2ccccc2NC1=O C1CN(CCO1)[*:1] C[C@@]1(Sc2ccccc2NC1=O)C(=O)NCCC[*:1]
C[C@]1(C(=O)NCCCN2CCOCC2)Sc2ccccc2NC1=O C1CN(CCO1)C[*:1] C[C@@]1(Sc2ccccc2NC1=O)C(=O)NCC[*:1]
C[C@]1(C(=O)NCCCN2CCOCC2)Sc2ccccc2NC1=O C1CN(CCO1)CC[*:1] C[C@@]1(Sc2ccccc2NC1=O)C(=O)NC[*:1]
C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 c1ccc(cc1)[*:1] C[C@@H](Sc1cc(ncn1)[*:1])C(=O)c1ccc2[nH]c(=O)[nH]c2c1
COc1ccc(-n2ncc(C(=O)NC[C@H]3CCN(c4ccccc4)C3)c2C(F)(F)F)nn1 FC(F)(F)[*:1] COc1ccc(nn1)-n1ncc(C(=O)NC[C@H]2CCN(C2)c2ccccc2)c1[*:1]
COc1ccc(-n2ncc(C(=O)NC[C@H]3CCN(c4ccccc4)C3)c2C(F)(F)F)nn1 COc1ccc(nn1)[*:1] O=C(NC[C@H]1CCN(C1)c1ccccc1)c1cnn(c1C(F)(F)F)[*:1]
COc1ccc(-n2ncc(C(=O)NC[C@H]3CCN(c4ccccc4)C3)c2C(F)(F)F)nn1 c1ccc(cc1)[*:1] COc1ccc(nn1)-n1ncc(C(=O)NC[C@H]2CCN(C2)[*:1])c1C(F)(F)F
CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N/C(=C/c1cccs1)[*:1]
CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCc2ccco2)cc1 CC(C)(C)[*:1] O=C(NCc1ccco1)/C(=C\c1cccs1)NC(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] CC(C)(C)c1ccc(cc1)C(=O)N/C(=C/c1cccs1)C(=O)N[*:1]
CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N/C(=C/c1cccs1)C(=O)NC[*:1]
CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCc2ccco2)cc1 c1csc(c1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NC(=C[*:1])C(=O)NCc1ccco1
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2F)cc1 Fc1ccccc1C[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCCC1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCCC1)C[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2F)cc1 O=C(C[*:1])N1CCCC1 Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1F)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2F)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1F)C[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2F)cc1 Cc1ccc(cc1)[*:1] O=C(CN(Cc1ccccc1F)S(=O)(=O)[*:1])N1CCCC1
CCn1c(-c2nc(C(=O)N3CCCC[C@H]3c3cccnc3)cs2)cc2ccccc21 c1cncc(c1)[*:1] CCn1c(cc2ccccc21)-c1nc(cs1)C(=O)N1CCCC[C@@H]1[*:1]
O=C(CCO)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 OCC[*:1] O=C(N1CCC[C@@H](C1)N1CCN(CC1)c1ccccc1)[*:1]
O=C(CCO)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] O=C(CCO)N1CCC[C@@H](C1)N1CCN(CC1)[*:1]
CC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)NC(=O)NC1=O FC(F)(F)[*:1] CC(Nc1cccc(c1)[*:1])=C1C(=O)NC(=O)NC1=O
C[C@@H]1OCC[C@H]1C(=O)N(C)CC(F)(F)F FC(F)(F)C[*:1] C[C@@H]1OCC[C@H]1C(=O)N(C)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N(C)CC(F)(F)F FC(F)(F)[*:1] C[C@@H]1OCC[C@H]1C(=O)N(C)C[*:1]
CCS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 CCS(=O)(=O)[*:1] COc1ccc(cc1NC(=O)c1cccc(c1)[*:1])[N+](=O)[O-]
CCS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 O=[N+]([O-])[*:1] CCS(=O)(=O)c1cccc(c1)C(=O)Nc1cc(ccc1OC)[*:1]
Cc1cccc(N2CCN(C(=O)CN3C(=S)NC(C)(C)C[C@H]3C)C[C@H]2C)c1 Cc1cccc(c1)[*:1] C[C@@H]1CC(C)(C)NC(=S)N1CC(=O)N1CCN([C@H](C)C1)[*:1]
CS(=O)(=O)N1CCc2cc(NC(=O)Nc3ccc(Cl)cc3F)ccc21 Fc1cc(Cl)ccc1[*:1] CS(=O)(=O)N1CCc2cc(ccc21)NC(=O)N[*:1]
C[S@@](=O)c1ccc(C(=O)[C@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1 C[S@@](=O)[*:1] N#C[C@@H](C(=O)c1ccc(cc1)[*:1])c1ncc(cc1Cl)C(F)(F)F
C[S@@](=O)c1ccc(C(=O)[C@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1 FC(F)(F)[*:1] C[S@@](=O)c1ccc(cc1)C(=O)[C@H](C#N)c1ncc(cc1Cl)[*:1]
CC(=O)N(c1ccc(F)cc1)c1nc(CNC2(C)Cc3ccccc3C2)cs1 Fc1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)CNC1(C)Cc2ccccc2C1)[*:1]
Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)sc2nc1=O O=[N+]([O-])[*:1] Cc1nn2c(=O)cc(sc2nc1=O)-c1ccc(cc1)[*:1]
COc1cc(CN(C)Cc2cccn2C)cc(Br)c1OC(F)F FC(F)O[*:1] COc1cc(cc(Br)c1[*:1])CN(C)Cc1cccn1C
COc1cc(CN(C)Cc2cccn2C)cc(Br)c1OC(F)F FC(F)[*:1] COc1cc(cc(Br)c1O[*:1])CN(C)Cc1cccn1C
COc1cc(CN(C)Cc2cccn2C)cc(Br)c1OC(F)F Cn1cccc1[*:1] COc1cc(cc(Br)c1OC(F)F)CN(C)C[*:1]
COc1cc(CN(C)Cc2cccn2C)cc(Br)c1OC(F)F Cn1cccc1C[*:1] COc1cc(cc(Br)c1OC(F)F)CN(C)[*:1]
Cc1cccn2c(C[NH+]3CCC(NC(=O)NC4CCCCC4)CC3)cnc12 C1CCC(CC1)[*:1] Cc1cccn2c(cnc12)C[NH+]1CCC(CC1)NC(=O)N[*:1]
CCCn1c(Cc2cncc(NC)n2)nc2ccccc21 CCC[*:1] CNc1cncc(Cc2nc3ccccc3n2[*:1])n1
CCn1c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+][C@H](C)C(=O)N[*:1]
O=[N+]([O-])c1cc([C@@H](O)CBr)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1OC[*:1])[C@@H](O)CBr
O=[N+]([O-])c1cc([C@@H](O)CBr)ccc1OCc1ccccc1 O=[N+]([O-])[*:1] O[C@@H](CBr)c1ccc(OCc2ccccc2)c(c1)[*:1]
O=[N+]([O-])c1cc([C@@H](O)CBr)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] O=[N+]([O-])c1cc(ccc1O[*:1])[C@@H](O)CBr
Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)C2)c1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)C2)c1[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)[C@@H]1CC(=O)N(CC2CC2)C1
CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 Clc1ccc(C[*:1])s1 CCN(C(=O)[C@@H]1CC(=O)N(CC2CC2)C1)[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C([O-])c1ccc(C[NH2+]CC2CC([O-])C2)nc1 [O-]C1CC(C1)[*:1] O=C([O-])c1ccc(C[NH2+]C[*:1])nc1
O=C([O-])c1ccc(C[NH2+]CC2CC([O-])C2)nc1 O=C([O-])[*:1] [O-]C1CC(C[NH2+]Cc2ccc(cn2)[*:1])C1
CN(CC(=O)N1CCCCCC1)c1nn2c(NC(C)(C)C)c(-c3cccc(F)c3)nc2s1 CC(C)(C)N[*:1] CN(CC(=O)N1CCCCCC1)c1nn2c(c(nc2s1)-c1cccc(F)c1)[*:1]
CN(CC(=O)N1CCCCCC1)c1nn2c(NC(C)(C)C)c(-c3cccc(F)c3)nc2s1 CC(C)(C)[*:1] CN(CC(=O)N1CCCCCC1)c1nn2c(N[*:1])c(nc2s1)-c1cccc(F)c1
CN(CC(=O)N1CCCCCC1)c1nn2c(NC(C)(C)C)c(-c3cccc(F)c3)nc2s1 O=C(C[*:1])N1CCCCCC1 CN(c1nn2c(NC(C)(C)C)c(nc2s1)-c1cccc(F)c1)[*:1]
CN(CC(=O)N1CCCCCC1)c1nn2c(NC(C)(C)C)c(-c3cccc(F)c3)nc2s1 Fc1cccc(c1)[*:1] CN(CC(=O)N1CCCCCC1)c1nn2c(NC(C)(C)C)c(nc2s1)[*:1]
CN(CC(=O)N1CCCCCC1)c1nn2c(NC(C)(C)C)c(-c3cccc(F)c3)nc2s1 O=C(N1CCCCCC1)[*:1] CN(C[*:1])c1nn2c(NC(C)(C)C)c(nc2s1)-c1cccc(F)c1
C[C@H](C(N)=O)N1Cc2ccccc2OC1=O NC(=O)[*:1] C[C@H](N1Cc2ccccc2OC1=O)[*:1]
C[C@H](C(N)=O)N1Cc2ccccc2OC1=O C[C@H](C(N)=O)[*:1] O=C1Oc2ccccc2CN1[*:1]
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCCOc2cccc3ccccc23)c2c(Cl)cccc21 CC(=O)C[*:1] O=C1N(CCCOc2cccc3ccccc23)c2c(Cl)cccc2[C@@]1(O)[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCCOc2cccc3ccccc23)c2c(Cl)cccc21 c1ccc2c(cccc2c1)[*:1] CC(=O)C[C@]1(O)C(=O)N(CCCO[*:1])c2c(Cl)cccc21
CC(=O)C[C@]1(O)C(=O)N(CCCOc2cccc3ccccc23)c2c(Cl)cccc21 CC(=O)[*:1] O=C1N(CCCOc2cccc3ccccc23)c2c(Cl)cccc2[C@]1(O)C[*:1]
CC(C)[C@@H](CO)NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 CC(C)[*:1] Cn1cc(cc(Br)c1=O)NC(=O)C(=O)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 CC(C)[C@@H](CO)[*:1] Cn1cc(cc(Br)c1=O)NC(=O)C(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C=CCn1c(nnc1-c1ccc2OCOc2c1)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1ccc2OCOc2c1
C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc2c(c1)OCO2 C=CC[*:1] O=C(CSc1nnc(-c2ccc3OCOc3c2)n1[*:1])Nc1ccc2OCOc2c1
COc1ccc([C@H](NC(=O)c2ccncc2Cl)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1ccncc1Cl)[*:1]
COc1ccc([C@H](NC(=O)c2ccncc2Cl)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](C1CCOCC1)[*:1])c1ccncc1Cl
COc1ccc([C@H](NC(=O)c2ccncc2Cl)C2CCOCC2)cc1 Clc1cnccc1[*:1] COc1ccc(cc1)[C@H](NC(=O)[*:1])C1CCOCC1
FC(F)(F)c1ccc(N2CCC[C@H]([NH2+]C3CCC3)C2)nc1 C1CC(C1)[*:1] FC(F)(F)c1ccc(nc1)N1CCC[C@@H](C1)[NH2+][*:1]
FC(F)(F)c1ccc(N2CCC[C@H]([NH2+]C3CCC3)C2)nc1 FC(F)(F)[*:1] c1cc(ncc1[*:1])N1CCC[C@@H](C1)[NH2+]C1CCC1
COc1cccc2c1N(C(=O)c1ccc(-n3cncn3)cc1)CCC2 c1ncn(n1)[*:1] COc1cccc2CCCN(C(=O)c3ccc(cc3)[*:1])c21
CN(CCC#N)C(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 CN(CCC#N)C(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N1CSC[C@@H]1[*:1]
CN(CCC#N)C(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 N#CC[*:1] CN(C[*:1])C(=O)[C@H]1CSCN1C(=O)c1ccc(cc1)C(C)(C)C
CN(CCC#N)C(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 N#CCC[*:1] CN(C(=O)[C@H]1CSCN1C(=O)c1ccc(cc1)C(C)(C)C)[*:1]
CN(CCC#N)C(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CN(CCC#N)C(=O)[C@H]1CSCN1C(=O)c1ccc(cc1)[*:1]
CCn1cnnc1[C@H]1CCCN(c2ncccc2C(=O)NC)C1 CNC(=O)[*:1] CCn1cnnc1[C@H]1CCCN(C1)c1ncccc1[*:1]
CCn1cnnc1[C@H]1CCCN(c2ncccc2C(=O)NC)C1 CCn1cnnc1[*:1] CNC(=O)c1cccnc1N1CCC[C@@H](C1)[*:1]
COC[C@@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)C1CC1 C1CC1[*:1] COC[C@@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)[*:1]
COC[C@@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)C1CC1 COC[*:1] Clc1cc2c(CC[C@H]2[NH2+][C@@H](C2CC2)[*:1])s1
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCCN1CCOCC1 O=[N+]([O-])[*:1] c1cc(c(cc1N1CC[NH2+]CC1)NCCN1CCOCC1)[*:1]
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=[N+]([O-])c1ccc(cc1N[*:1])N1CC[NH2+]CC1
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCCN1CCOCC1 C1CN(CCO1)C[*:1] O=[N+]([O-])c1ccc(cc1NC[*:1])N1CC[NH2+]CC1
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCCN1CCOCC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccc(cc1NCC[*:1])N1CC[NH2+]CC1
CCNS(=O)(=O)[C@H]1CCN(Cc2cn3ccccc3[nH+]2)C1 CCNS(=O)(=O)[*:1] c1ccn2cc(CN3CC[C@@H](C3)[*:1])[nH+]c2c1
Cc1cc(N2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCN(CC1)C(=O)c1cc2CCCCc2[nH]c1=O
COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)OCCCO3)c1 COc1cccc(c1)NC(=O)[*:1] O=C(Nc1ccc2OCCCOc2c1)c1ccccc1SC[*:1]
COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)OCCCO3)c1 COc1cccc(c1)[*:1] O=C(CSc1ccccc1C(=O)Nc1ccc2OCCCOc2c1)N[*:1]
COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)OCCCO3)c1 c1cc2OCCCOc2cc1[*:1] COc1cccc(c1)NC(=O)CSc1ccccc1C(=O)N[*:1]
Cc1c(C)n(Cc2cccnc2)c2ncn3nc(-c4ccc(F)cc4)nc3c12 c1cncc(c1)C[*:1] Cc1c(C)n(c2ncn3nc(nc3c12)-c1ccc(F)cc1)[*:1]
Cc1c(C)n(Cc2cccnc2)c2ncn3nc(-c4ccc(F)cc4)nc3c12 c1cncc(c1)[*:1] Cc1c(C)n(C[*:1])c2ncn3nc(nc3c12)-c1ccc(F)cc1
Cc1c(C)n(Cc2cccnc2)c2ncn3nc(-c4ccc(F)cc4)nc3c12 Fc1ccc(cc1)[*:1] Cc1c(C)n(Cc2cccnc2)c2ncn3nc(nc3c12)[*:1]
CC(C)N(CC(F)F)C(=O)Cc1ccc(O)cc1Cl FC(F)[*:1] CC(C)N(C[*:1])C(=O)Cc1ccc(O)cc1Cl
CC(C)N(CC(F)F)C(=O)Cc1ccc(O)cc1Cl CC(C)[*:1] O=C(Cc1ccc(O)cc1Cl)N(CC(F)F)[*:1]
CC(C)N(CC(F)F)C(=O)Cc1ccc(O)cc1Cl FC(F)C[*:1] CC(C)N(C(=O)Cc1ccc(O)cc1Cl)[*:1]
CCc1ccccc1N[C@@H]1CC(=O)N(c2ccc(O)cc2)C1=O Oc1ccc(cc1)[*:1] CCc1ccccc1N[C@@H]1CC(=O)N(C1=O)[*:1]
CCN[C@@]1(C(=O)OC)CC[C@H](Oc2ccc(CC)cc2)C1 COC(=O)[*:1] CCN[C@]1(CC[C@@H](C1)Oc1ccc(cc1)CC)[*:1]
CCN[C@@]1(C(=O)OC)CC[C@H](Oc2ccc(CC)cc2)C1 CCN[*:1] CCc1ccc(cc1)O[C@H]1CC[C@@](C1)(C(=O)OC)[*:1]
NC(=O)[C@]1(c2ccccc2)O[C@@H]1c1ccccc1 NC(=O)[*:1] c1ccc(cc1)[C@H]1O[C@]1(c1ccccc1)[*:1]
NC(=O)[C@]1(c2ccccc2)O[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@]1(O[C@H]1[*:1])c1ccccc1
NC(=O)[C@]1(c2ccccc2)O[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@]1(O[C@@H]1c1ccccc1)[*:1]
CN(Cc1ccc(C[NH2+]C2CC2)cn1)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(cn1)C[NH2+]C1CC1)[*:1]
CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1OC CCO[*:1] COc1ccc(cc1OC)[C@H]1CCCN1C(=O)c1ccc(c(c1)OC)[*:1]
COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl COc1ccccc1[*:1] O=C(C[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl
COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl COc1ccccc1C[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl)[*:1]
COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl Clc1ccccc1[*:1] COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1C[*:1]
COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl Clc1ccccc1C[*:1] COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
O=C(C[NH+]1CCN(Cc2nc(-c3ccccc3)cs2)CC1)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc(cs1)[*:1])Nc1ccc2OCOc2c1
O=C(C[NH+]1CCN(Cc2nc(-c3ccccc3)cs2)CC1)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc(cs1)-c1ccccc1)N[*:1]
Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)Nc4ccccc4C(C)C)C3)ncn2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1cc(ncn1)N1CCC[C@@H](C1)C(=O)Nc1ccccc1[*:1]
Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)Nc4ccccc4C(C)C)C3)ncn2)n1 CC(C)c1ccccc1[*:1] Cc1cc(C)n(n1)-c1cc(ncn1)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)Nc4ccccc4C(C)C)C3)ncn2)n1 Cc1cc(C)n(n1)[*:1] CC(C)c1ccccc1NC(=O)[C@H]1CCCN(C1)c1cc(ncn1)[*:1]
CCCC(=O)NC1CCCCC1 CCC[*:1] O=C(NC1CCCCC1)[*:1]
COC(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)C(=O)NC1CCCCC1)c1cccc(c1)[*:1]
COC(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)c1 C1CCC(CC1)[*:1] COC(=O)c1cccc(c1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
COC(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)c1 O=C(NC1CCCCC1)[*:1] COC(=O)c1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](C(=O)c1cc(F)c(F)c(F)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](C(=O)c1cc(F)c(F)c(F)c1)[*:1]
CCCc1cc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)n(C)n1 c1csc(c1)[*:1] CCCc1cc(NC(=O)N2CCC[C@@H]2C[C@@H](O)[*:1])n(C)n1
CCCc1cc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)n(C)n1 O[C@@H](c1cccs1)[*:1] CCCc1cc(NC(=O)N2CCC[C@@H]2C[*:1])n(C)n1
CCCc1cc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1)[*:1]
CCCc1cc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)n(C)n1 O[C@H](C[*:1])c1cccs1 CCCc1cc(NC(=O)N2CCC[C@H]2[*:1])n(C)n1
CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(F)cc4)cc3)nn12 Fc1ccc(cc1)[*:1] CCc1nnc2sc(nn12)-c1ccc(cc1)CNC(=S)NC(=O)[*:1]
CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(F)cc4)cc3)nn12 CCc1nnc2sc(nn12)[*:1] O=C(NC(=S)NCc1ccc(cc1)[*:1])c1ccc(F)cc1
[NH3+][C@H]1c2ccccc2CCC[C@H]1[S@@](=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] [NH3+][C@H]1c2ccccc2CCC[C@H]1[S@@](=O)[*:1]
CCC[C@]1(c2occc2Br)CCCCC[NH2+]1 CCC[*:1] Brc1ccoc1[C@@]1(CCCCC[NH2+]1)[*:1]
C[C@H](c1ccc(F)cc1)n1c(Cn2ncc3ccccc3c2=O)n[nH]c1=S C[C@H](c1ccc(F)cc1)[*:1] O=c1c2ccccc2cnn1Cc1n[nH]c(=S)n1[*:1]
C[C@H](c1ccc(F)cc1)n1c(Cn2ncc3ccccc3c2=O)n[nH]c1=S Fc1ccc(cc1)[*:1] C[C@H](n1c(Cn2ncc3ccccc3c2=O)n[nH]c1=S)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(I)cc1 Ic1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)CO[*:1]
O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCC3)ncn2)CC1 C1CCN(C1)[*:1] O=C(Nc1ccc2OCOc2c1)N1CCN(CC1)c1cc(ncn1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCC3)ncn2)CC1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])N1CCN(CC1)c1cc(ncn1)N1CCCC1
FC(F)(F)c1cc(-c2ccco2)nc(NC[C@H]2CCCO2)n1 C1CO[C@H](C1)C[*:1] FC(F)(F)c1cc(nc(n1)N[*:1])-c1ccco1
FC(F)(F)c1cc(-c2ccco2)nc(NC[C@H]2CCCO2)n1 FC(F)(F)[*:1] c1coc(c1)-c1cc(nc(n1)NC[C@H]1CCCO1)[*:1]
FC(F)(F)c1cc(-c2ccco2)nc(NC[C@H]2CCCO2)n1 c1coc(c1)[*:1] FC(F)(F)c1cc(nc(n1)NC[C@H]1CCCO1)[*:1]
FC(F)(F)c1cc(-c2ccco2)nc(NC[C@H]2CCCO2)n1 C1CO[C@H](C1)[*:1] FC(F)(F)c1cc(nc(n1)NC[*:1])-c1ccco1
FC(F)(F)c1cc(-c2ccco2)nc(NC[C@H]2CCCO2)n1 C1CO[C@H](C1)CN[*:1] FC(F)(F)c1cc(nc(n1)[*:1])-c1ccco1
C[C@H](Sc1nnnn1Cc1cccs1)C(=O)N[C@H]1CCCc2ccccc21 c1csc(c1)C[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)N[C@H]1CCCc2ccccc21
C[C@H](Sc1nnnn1Cc1cccs1)C(=O)N[C@H]1CCCc2ccccc21 c1csc(c1)[*:1] C[C@H](Sc1nnnn1C[*:1])C(=O)N[C@H]1CCCc2ccccc21
Cc1cccc(C)c1NC(=O)C[NH+](C)Cc1nnc(C)n1C Cc1nnc(n1C)[*:1] Cc1cccc(C)c1NC(=O)C[NH+](C)C[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 CC(C)[*:1] O=C(N[C@H](C(=O)Nc1cccc(c1)C(F)(F)F)[*:1])c1ccccc1
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
C[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCCC1)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)C1(CCCCC1)c1ccc(Cl)cc1)C[*:1]
C[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCCC1)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)C1(CCCCC1)c1ccc(Cl)cc1)[*:1]
C[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCCC1)C[C@@H](C)O Clc1ccc(cc1)[*:1] C[C@H](CNC(=O)C1(CCCCC1)[*:1])C[C@@H](C)O
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)C1 c1csc(c1)C[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)C1 c1csc(c1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
COc1cccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1 COc1cccc(c1)[*:1] O=C(N[*:1])c1cc2cc(Cl)cc(Cl)c2oc1=O
Cc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)nn1C c1ncn(n1)[*:1] Cc1cc(nn1C)C(=O)N1CCC[C@H](C1)[*:1]
Cc1cc(NCc2ccc(CN3CCCC3=O)cc2)[nH+]c2ccccc12 O=C1CCCN1C[*:1] Cc1cc(NCc2ccc(cc2)[*:1])[nH+]c2ccccc12
Cc1cc(NCc2ccc(CN3CCCC3=O)cc2)[nH+]c2ccccc12 O=C1CCCN1[*:1] Cc1cc(NCc2ccc(cc2)C[*:1])[nH+]c2ccccc12
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccn2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 c1csc(c1)[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@H](C=1C(=O)Nc1ccccn1)c1ccccn1)[*:1]
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccn2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 c1ccc(nc1)[*:1] CC1NC2C[C@H](CC(=O)C=2[C@@H](C=1C(=O)Nc1ccccn1)[*:1])c1cccs1
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccn2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 c1ccc(nc1)[*:1] CC1NC2C[C@H](CC(=O)C=2[C@H](C=1C(=O)N[*:1])c1ccccn1)c1cccs1
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccn2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 O=C(Nc1ccccn1)[*:1] CC1NC2C[C@H](CC(=O)C=2[C@H](C=1[*:1])c1ccccn1)c1cccs1
CCCNS(=O)(=O)c1cc(C)c(C)cc1OCCC CCC[*:1] CCCNS(=O)(=O)c1cc(C)c(C)cc1O[*:1]
CCCNS(=O)(=O)c1cc(C)c(C)cc1OCCC CCC[*:1] CCCOc1cc(C)c(C)cc1S(=O)(=O)N[*:1]
CCCNS(=O)(=O)c1cc(C)c(C)cc1OCCC CCCO[*:1] CCCNS(=O)(=O)c1cc(C)c(C)cc1[*:1]
O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)c1ccc(cc1)[*:1]
O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 c1ccc2[nH]c(nc2c1)[*:1] O=C([O-])c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)[*:1]
CCn1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])n1 O=C([O-])[*:1] CCn1ccc(n1)NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)NCC[NH+]1CCC(C)CC1 Cc1cccc(C)c1[*:1] CC1CC[NH+](CCNC(=O)NCC(=O)N[*:1])CC1
COc1ccc(-c2csc(NC(=O)Cc3ccc(OC)c(OC)c3)n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)CC(=O)Nc1nc(cs1)[*:1]
C/[NH+]=C(/NCCC(=O)N(C)Cc1ccccc1)N1CCC[C@@H](C)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCCC(=O)N(C)C[*:1])N1CCC[C@@H](C)C1
C/[NH+]=C(/NCCC(=O)N(C)Cc1ccccc1)N1CCC[C@@H](C)C1 c1ccc(cc1)C[*:1] C/[NH+]=C(/NCCC(=O)N(C)[*:1])N1CCC[C@@H](C)C1
CC1CCN(C(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)CC1 c1csc(c1)[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)-n1nc(cc1[*:1])C(F)(F)F
CC1CCN(C(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)CC1 CC1CCN(CC1)C(=O)[*:1] FC(F)(F)c1cc(-c2cccs2)n(n1)-c1ccc(cc1)[*:1]
CC1CCN(C(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)CC1 FC(F)(F)[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)-n1nc(cc1-c1cccs1)[*:1]
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCc3nc(C)no3)c2c1 Cc1noc(C[*:1])n1 Cc1cc(C)c2nc(cc(C(=O)NCC[*:1])c2c1)C1CC1
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCc3nc(C)no3)c2c1 Cc1noc(CC[*:1])n1 Cc1cc(C)c2nc(cc(C(=O)NC[*:1])c2c1)C1CC1
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCc3nc(C)no3)c2c1 Cc1noc(CCC[*:1])n1 Cc1cc(C)c2nc(cc(C(=O)N[*:1])c2c1)C1CC1
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCc3nc(C)no3)c2c1 Cc1noc(n1)[*:1] Cc1cc(C)c2nc(cc(C(=O)NCCC[*:1])c2c1)C1CC1
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCc3nc(C)no3)c2c1 C1CC1[*:1] Cc1cc(C)c2nc(cc(C(=O)NCCCc3nc(C)no3)c2c1)[*:1]
COc1ccccc1C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 c1cncc(c1)[*:1] COc1ccccc1C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(Cl)c(Cl)c1
COc1ccccc1C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 c1cncc(c1)C[*:1] COc1ccccc1C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(Cl)c(Cl)c1)[*:1]
COc1ccccc1C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] COc1ccccc1C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1[*:1]
COc1ccccc1C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 COc1ccccc1C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1cccnc1)[*:1]
COc1ccccc1C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 COc1ccccc1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1cccnc1
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 c1cc(ccn1)CO[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 c1cc(ccn1)C[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)O[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 CS(=O)(=O)[*:1] c1cc(ccn1)COc1ccc(cc1)C[NH2+][C@@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 c1cc(ccn1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)OC[*:1]
O=C1[C@H](N2CCCC3(C2)OCCO3)CCN1c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C1[C@@H](CCN1[*:1])N1CCCC2(C1)OCCO2
CCCNC(=O)CNC(=O)/C=C/c1ccc(C)cc1C CCCNC(=O)[*:1] Cc1ccc(/C=C/C(=O)NC[*:1])c(C)c1
CCCNC(=O)CNC(=O)/C=C/c1ccc(C)cc1C CCC[*:1] Cc1ccc(/C=C/C(=O)NCC(=O)N[*:1])c(C)c1
O=C(CN1C(=O)CCC1=O)NC[C@H]1COC2(CCCCC2)O1 O=C1CCC(=O)N1[*:1] O=C(C[*:1])NC[C@H]1COC2(CCCCC2)O1
CCc1ncc(CN(C)C(=O)c2ccccc2[N-]S(=O)(=O)CC)s1 CCc1ncc(s1)[*:1] CCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)C[*:1]
CCc1ncc(CN(C)C(=O)c2ccccc2[N-]S(=O)(=O)CC)s1 CCc1ncc(C[*:1])s1 CCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)[*:1]
C=CCOC(=O)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 C=CCOC(=O)CO[*:1] O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(cc2o1)[*:1]
C=CCOC(=O)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 C=CCOC(=O)C[*:1] O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(cc2o1)O[*:1]
C=CCOC(=O)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 C=CC[*:1] O=C(COc1ccc2c(cc(=O)oc2c1)-c1cc2ccccc2oc1=O)O[*:1]
C=CCOC(=O)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 C=CCOC(=O)[*:1] O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(cc2o1)OC[*:1]
Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)NC1CCCCC1 O=C(N[*:1])c1ccco1 Cn1c(C[*:1])nnc1SCC(=O)NC1CCCCC1
Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)NC1CCCCC1 c1coc(c1)[*:1] Cn1c(CNC(=O)[*:1])nnc1SCC(=O)NC1CCCCC1
Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CC(C)CCO[*:1] Cc1ccc(cc1NC(=O)N[C@H]1CCCC[C@H]1[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CC(C)C[*:1] Cc1ccc(cc1NC(=O)N[C@H]1CCCC[C@@H]1OC[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C NC(=O)[*:1] Cc1ccc(cc1NC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C)[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CC(C)CC[*:1] Cc1ccc(cc1NC(=O)N[C@H]1CCCC[C@@H]1O[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)N[C@H]1CCCC[C@@H]1OCC[*:1])C(N)=O
CCCN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O CCC[*:1] C[C@]12C(=O)N(CC(=O)N1CCc1c2[nH]c2ccccc12)[*:1]
Cn1nc2c(cc1=O)C[NH+](Cc1ccc(OCC(F)F)cc1)CC2 FC(F)C[*:1] Cn1nc2CC[NH+](Cc3ccc(cc3)O[*:1])Cc2cc1=O
Cn1nc2c(cc1=O)C[NH+](Cc1ccc(OCC(F)F)cc1)CC2 FC(F)[*:1] Cn1nc2CC[NH+](Cc3ccc(cc3)OC[*:1])Cc2cc1=O
Cn1nc2c(cc1=O)C[NH+](Cc1ccc(OCC(F)F)cc1)CC2 FC(F)CO[*:1] Cn1nc2CC[NH+](Cc3ccc(cc3)[*:1])Cc2cc1=O
CCc1n[nH]c(Sc2nc(-c3cccnc3)nc3ccccc23)n1 c1cncc(c1)[*:1] CCc1n[nH]c(n1)Sc1nc(nc2ccccc12)[*:1]
Cc1ccc2c(c1C)[C@H](N[C@@H]1CCN(C3CCCCC3)C1=O)CCO2 C1CCC(CC1)[*:1] Cc1ccc2OCC[C@@H](N[C@@H]3CCN(C3=O)[*:1])c2c1C
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)sc2cccc(F)c21 C1CC1[*:1] C#CCn1/c(=N/C(=O)c2ccc(cc2)S(=O)(=O)N(C)[*:1])sc2cccc(F)c21
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)sc2cccc(F)c21 CN(C1CC1)S(=O)(=O)[*:1] C#CCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cccc(F)c21
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)sc2cccc(F)c21 C#CC[*:1] CN(C1CC1)S(=O)(=O)c1ccc(cc1)C(=O)/N=c1\sc2cccc(F)c2n1[*:1]
CC(C)CCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CC(C)CCNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
CC(C)CCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 CC(C)CC[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)N[*:1]
CC(C)CCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 CC(C)C[*:1] O=C(NC[*:1])N[C@H]1CC(=O)N(C1)C1CC1
CC(C)CCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 CC(C)[*:1] O=C(NCC[*:1])N[C@H]1CC(=O)N(C1)C1CC1
COc1cc(C)c(NC(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)cc1OC CC(C)C[*:1] COc1cc(C)c(cc1OC)NC(=O)/C=C/c1c(C)nn(c1Cl)[*:1]
COc1cc(C)c(NC(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)cc1OC CC(C)[*:1] COc1cc(C)c(cc1OC)NC(=O)/C=C/c1c(C)nn(C[*:1])c1Cl
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1[*:1]
CCCOc1ccc2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c(=O)oc2c1 O=[N+]([O-])[*:1] CCCOc1ccc2cc(C(=O)Nc3ccccc3[*:1])c(=O)oc2c1
CCCOc1ccc2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c(=O)oc2c1 O=[N+]([O-])c1ccccc1[*:1] CCCOc1ccc2cc(C(=O)N[*:1])c(=O)oc2c1
CCCOc1ccc2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c(=O)oc2c1 CCC[*:1] O=C(Nc1ccccc1[N+](=O)[O-])c1cc2ccc(cc2oc1=O)O[*:1]
CCCOc1ccc2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c(=O)oc2c1 CCCO[*:1] O=C(Nc1ccccc1[N+](=O)[O-])c1cc2ccc(cc2oc1=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](C1)Oc1ccc(cc1)C(F)(F)F
CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2)C1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)Oc1ccc(cc1)[*:1]
CCNC(=O)C[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 CCNC(=O)[*:1] CS(=O)(=O)N1CCC[C@H](C[NH2+]C[*:1])C1
CCNC(=O)C[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 CCNC(=O)C[*:1] CS(=O)(=O)N1CCC[C@H](C[NH2+][*:1])C1
O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C\c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1Nc2cc(Cl)c(cc2C1=C[*:1])[N+](=O)[O-]
O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C\c1ccc(F)cc1 O=[N+]([O-])[*:1] O=C1Nc2cc(Cl)c(cc2/C1=C\c1ccc(F)cc1)[*:1]
Cc1ccccc1CCC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 Cc1ccccc1C[*:1] CN(C(=O)C[*:1])[C@H]1CS(=O)(=O)c2ccc(Cl)cc21
Cc1ccccc1CCC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 Cc1ccccc1[*:1] CN(C(=O)CC[*:1])[C@H]1CS(=O)(=O)c2ccc(Cl)cc21
CC(C)C[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2ON1c1ccccc1 CC(C)C[*:1] O=C1[C@H]2ON(c3ccccc3)[C@H]([C@@H]2C(=O)N1Cc1ccccc1)[*:1]
CC(C)C[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2ON1c1ccccc1 c1ccc(cc1)C[*:1] CC(C)C[C@H]1[C@@H]2C(=O)N(C(=O)[C@H]2ON1c1ccccc1)[*:1]
CC(C)C[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2ON1c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@H]1[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]2ON1c1ccccc1
CC(C)C[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2ON1c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2ON1[*:1]
CC(C)C[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2ON1c1ccccc1 CC(C)[*:1] O=C1[C@H]2ON(c3ccccc3)[C@@H](C[*:1])[C@@H]2C(=O)N1Cc1ccccc1
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc(Cl)c2)nc1C COC(=O)c1sc(nc1C)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccc(Cl)c1)[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc(Cl)c2)nc1C COc1ccc(cc1)C(=O)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C([C@H]1c1cccc(Cl)c1)[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc(Cl)c2)nc1C COc1ccc(cc1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccc(Cl)c1
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc(Cl)c2)nc1C COC(=O)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2nc(C)c(s2)[*:1])[C@@H]1c1cccc(Cl)c1
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc(Cl)c2)nc1C Clc1cccc(c1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2)OC)[C@@H]1[*:1]
O=C1C[C@@H](n2nnn(-c3ccccc3)c2=S)[C@@H]2CO[C@H]1O2 c1ccc(cc1)[*:1] O=C1C[C@H]([C@@H]2CO[C@H]1O2)n1nnn(c1=S)[*:1]
COc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2C)nn1 CC(C)(C)[*:1] COc1ccc(nn1)C(=O)Oc1ccc(cc1C)[*:1]
CC(C)N(CCO)c1nc2ccc(N)cc2o1 CC(C)[*:1] Nc1ccc2nc(oc2c1)N(CCO)[*:1]
CC(C)N(CCO)c1nc2ccc(N)cc2o1 OCC[*:1] CC(C)N(c1nc2ccc(N)cc2o1)[*:1]
FC(F)Oc1ccc(N[C@@H]2CCO[C@]3(CCSC3)C2)nc1 FC(F)O[*:1] c1cc(ncc1[*:1])N[C@@H]1CCO[C@]2(CCSC2)C1
FC(F)Oc1ccc(N[C@@H]2CCO[C@]3(CCSC3)C2)nc1 FC(F)[*:1] c1cc(ncc1O[*:1])N[C@@H]1CCO[C@]2(CCSC2)C1
COc1cc(Br)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OC O=C1CCCN1[*:1] COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCc1nc([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cccc(C)c3)C2)no1 CCc1nc(no1)[*:1] Cc1cccc(c1)[C@H]1C[C@H]1C(=O)N1CCC[C@@H](C1)[*:1]
CCc1nc([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cccc(C)c3)C2)no1 Cc1cccc(c1)[*:1] CCc1nc(no1)[C@H]1CCCN(C1)C(=O)[C@@H]1C[C@H]1[*:1]
C=CCc1cc(N)ccc1Oc1ccncc1Cl C=CC[*:1] Nc1ccc(Oc2ccncc2Cl)c(c1)[*:1]
COc1ccc([C@H](C#N)N2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)cc1 COc1ccc(cc1)[*:1] CN1CCO[C@@H](C1)C(=O)N1CCN(CC1)[C@@H](C#N)[*:1]
C[C@H]1CN(S(=O)(=O)NCCc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)NCC[*:1]
CCN(CC)c1ncc(CN[C@H]2CCCc3ccc(F)cc32)s1 CCN(CC)[*:1] Fc1ccc2CCC[C@H](NCc3cnc(s3)[*:1])c2c1
CCC(C)(C)O[C@H]1CCC[C@@]([NH2+]C2CC2)(C(=O)OC)C1 COC(=O)[*:1] CCC(C)(C)O[C@H]1CCC[C@](C1)([NH2+]C1CC1)[*:1]
CCC(C)(C)O[C@H]1CCC[C@@]([NH2+]C2CC2)(C(=O)OC)C1 C1CC1[*:1] CCC(C)(C)O[C@H]1CCC[C@@](C1)([NH2+][*:1])C(=O)OC
CCC(C)(C)O[C@H]1CCC[C@@]([NH2+]C2CC2)(C(=O)OC)C1 CCC(C)(C)[*:1] COC(=O)[C@@]1(CCC[C@@H](C1)O[*:1])[NH2+]C1CC1
CCC(C)(C)O[C@H]1CCC[C@@]([NH2+]C2CC2)(C(=O)OC)C1 CCC(C)(C)O[*:1] COC(=O)[C@@]1(CCC[C@@H](C1)[*:1])[NH2+]C1CC1
CC(C)(C)c1ccccc1S(N)(=O)=O CC(C)(C)[*:1] NS(=O)(=O)c1ccccc1[*:1]
CC(C)(C)c1ccccc1S(N)(=O)=O NS(=O)(=O)[*:1] CC(C)(C)c1ccccc1[*:1]
COC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1ccccc1 CC(=O)N1CCN(CC1)[*:1] COC(=O)C1=C(C[*:1])NC(=O)N[C@@H]1c1ccccc1
COC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C1=C(CN2CCN(CC2)C(C)=O)NC(=O)N[C@H]1[*:1]
COC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1ccccc1 COC(=O)[*:1] CC(=O)N1CCN(CC1)CC1NC(=O)N[C@@H](C=1[*:1])c1ccccc1
CN(Cc1ccccc1Cl)C(=O)c1ccc(-n2cnnn2)cc1 Clc1ccccc1[*:1] CN(C[*:1])C(=O)c1ccc(cc1)-n1cnnn1
CN(Cc1ccccc1Cl)C(=O)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] CN(Cc1ccccc1Cl)C(=O)c1ccc(cc1)[*:1]
NC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2)C1 Fc1ccc(cc1Cl)[*:1] NC(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)OCC(=O)N[*:1]
NC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2)C1 NC(=O)[*:1] O=C(COc1ccc(cc1)N1C[C@H](CC1=O)[*:1])Nc1ccc(F)c(Cl)c1
C[NH+](C)CCN(Cc1cccs1)C(=O)c1c(O)cc(F)cc1F c1csc(c1)C[*:1] C[NH+](C)CCN(C(=O)c1c(O)cc(F)cc1F)[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)c1c(O)cc(F)cc1F c1csc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1c(O)cc(F)cc1F
COc1ccccc1-c1ccc(N[C@@H](C)c2csc(C)n2)[nH+]n1 Cc1nc(cs1)[*:1] COc1ccccc1-c1ccc(N[C@@H](C)[*:1])[nH+]n1
COc1ccc2[nH]cc(CCNC(=O)COc3cc4oc(=O)c5c(c4cc3Cl)CCC5)c2c1 COc1ccc2[nH]cc(c2c1)[*:1] O=C(COc1cc2oc(=O)c3CCCc3c2cc1Cl)NCC[*:1]
COc1ccccc1NC(=O)C[C@@H]1C(=O)N(C)C(=S)N1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)C[C@@H]1C(=O)N(C)C(=S)N1NC(=O)[*:1]
COc1ccccc1NC(=O)C[C@@H]1C(=O)N(C)C(=S)N1NC(=O)c1ccccc1 COc1ccccc1[*:1] CN1C(=O)[C@@H](CC(=O)N[*:1])N(NC(=O)c2ccccc2)C1=S
COc1cc(OC)cc(C(=O)N(CCN2CCOCC2)c2nc3c(C)c(Cl)ccc3s2)c1 C1CN(CCO1)[*:1] COc1cc(cc(c1)C(=O)N(CC[*:1])c1nc2c(C)c(Cl)ccc2s1)OC
COc1cc(OC)cc(C(=O)N(CCN2CCOCC2)c2nc3c(C)c(Cl)ccc3s2)c1 C1CN(CCO1)CC[*:1] COc1cc(cc(c1)C(=O)N(c1nc2c(C)c(Cl)ccc2s1)[*:1])OC
COc1cc(OC)cc(C(=O)N(CCN2CCOCC2)c2nc3c(C)c(Cl)ccc3s2)c1 C1CN(CCO1)C[*:1] COc1cc(cc(c1)C(=O)N(C[*:1])c1nc2c(C)c(Cl)ccc2s1)OC
COc1cc(OC)cc(C(=O)N(CCN2CCOCC2)c2nc3c(C)c(Cl)ccc3s2)c1 COc1cc(cc(c1)[*:1])OC Cc1c(Cl)ccc2sc(nc12)N(CCN1CCOCC1)C(=O)[*:1]
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 C[C@@H](C(=O)NC1CC1)[*:1] O=C(CCOc1ccc(Cl)cc1)N1CCN(CC1)[*:1]
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 O=C(NC1CC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)CCOc1ccc(Cl)cc1)[*:1]
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)O[*:1] C[C@@H](C(=O)NC1CC1)N1CCN(CC1)C(=O)CC[*:1]
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@@H](C(=O)NC1CC1)N1CCN(CC1)C(=O)CCO[*:1]
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 C1CC1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)CCOc1ccc(Cl)cc1
CC(=O)Nc1nc(CSc2nnc(OC(C)C)s2)cs1 CC(=O)N[*:1] CC(C)Oc1nnc(SCc2csc(n2)[*:1])s1
CC(=O)Nc1nc(CSc2nnc(OC(C)C)s2)cs1 CC(C)[*:1] CC(=O)Nc1nc(cs1)CSc1nnc(O[*:1])s1
CC(=O)Nc1nc(CSc2nnc(OC(C)C)s2)cs1 CC(C)O[*:1] CC(=O)Nc1nc(cs1)CSc1nnc(s1)[*:1]
CC[NH2+][C@H](C)c1cc(F)ccc1OCc1ncnn1C Cn1ncnc1[*:1] CC[NH2+][C@H](C)c1cc(F)ccc1OC[*:1]
C=C(C)COc1cc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1OC C=C(C)C[*:1] COc1ccc(cc1O[*:1])C[NH+]1CCN(CC1)c1cc(C)[nH+]c(C)n1
C=C(C)COc1cc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1OC C=C(C)CO[*:1] COc1ccc(cc1[*:1])C[NH+]1CCN(CC1)c1cc(C)[nH+]c(C)n1
C=C(C)COc1cc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1OC C=C(C)[*:1] COc1ccc(cc1OC[*:1])C[NH+]1CCN(CC1)c1cc(C)[nH+]c(C)n1
CCCCCC[C@]1(C)NC(=O)NC1=O CCCC[*:1] C[C@@]1(CC[*:1])NC(=O)NC1=O
CCCCCC[C@]1(C)NC(=O)NC1=O CCC[*:1] C[C@@]1(CCC[*:1])NC(=O)NC1=O
COc1ccc(Cl)cc1Cn1nnc(CCN2C(=O)c3ccccc3C2=O)n1 COc1ccc(Cl)cc1[*:1] O=C1c2ccccc2C(=O)N1CCc1nnn(C[*:1])n1
COc1cccc(-c2noc(CNc3ccc(C)cc3)n2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)-c1noc(CN[*:1])n1
CCCCCC(C)(C)C(=O)Nc1ccc2oc(=O)[nH]c2c1 CCCCC[*:1] CC(C)(C(=O)Nc1ccc2oc(=O)[nH]c2c1)[*:1]
CCCCCC(C)(C)C(=O)Nc1ccc2oc(=O)[nH]c2c1 CCCC[*:1] CC(C)(C[*:1])C(=O)Nc1ccc2oc(=O)[nH]c2c1
CCCCCC(C)(C)C(=O)Nc1ccc2oc(=O)[nH]c2c1 CCC[*:1] CC(C)(CC[*:1])C(=O)Nc1ccc2oc(=O)[nH]c2c1
CCNC(=O)CN(CC)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CCNC(=O)CN(CC)C(=O)N[C@@H]1CCN(C1)[*:1]
CCNC(=O)CN(CC)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 CCNC(=O)[*:1] CCN(C[*:1])C(=O)N[C@@H]1CCN(C1)c1cccc(Cl)c1
CCNC(=O)CN(CC)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 CCNC(=O)C[*:1] CCN(C(=O)N[C@@H]1CCN(C1)c1cccc(Cl)c1)[*:1]
COc1cccc([C@@H]2N=[NH+]C(=S)N2/N=C/c2cc(Br)ccc2F)c1 Fc1ccc(Br)cc1[*:1] COc1cccc(c1)[C@@H]1N=[NH+]C(=S)N1N=C[*:1]
COc1cccc([C@@H]2N=[NH+]C(=S)N2/N=C/c2cc(Br)ccc2F)c1 COc1cccc(c1)[*:1] Fc1ccc(Br)cc1/C=N/N1C(=S)[NH+]=N[C@H]1[*:1]
CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 c1cnc(nc1)[*:1] CCC(=O)Nc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 CCC(=O)N[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)c1cccc(c1)[*:1]
CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 O=S(=O)(Nc1ncccn1)[*:1] CCC(=O)Nc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
COC[C@](C)(CCO)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 OCC[*:1] COC[C@](C)([NH2+]CC#Cc1ccc(cc1)C(F)(F)F)[*:1]
COC[C@](C)(CCO)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 COC[*:1] C[C@](CCO)([NH2+]CC#Cc1ccc(cc1)C(F)(F)F)[*:1]
COC[C@](C)(CCO)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COC[C@](C)(CCO)[NH2+]CC#Cc1ccc(cc1)[*:1]
N#C[C@@H](C(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] N#C[C@@H](C(=O)CCN1C(=O)NC2(CCCC2)C1=O)[*:1]
Cc1cccc2cc(C(=O)N3CCC[C@@H](c4[nH+]ccn4CC(N)=O)C3)oc12 NC(=O)[*:1] Cc1cccc2cc(oc12)C(=O)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
Cc1cccc2cc(C(=O)N3CCC[C@@H](c4[nH+]ccn4CC(N)=O)C3)oc12 NC(=O)C[*:1] Cc1cccc2cc(oc12)C(=O)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
CN(C)C(=O)c1ccc(NC(=O)CCN2C(=O)COc3ccccc32)cc1 CN(C)C(=O)[*:1] O=C(CCN1C(=O)COc2ccccc21)Nc1ccc(cc1)[*:1]
O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2C1 Fc1cccc(c1)[*:1] O=C(c1cccs1)N1CCc2ccc(cc2C1)NS(=O)(=O)[*:1]
O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2C1 c1csc(c1)[*:1] O=C(N1CCc2ccc(cc2C1)NS(=O)(=O)c1cccc(F)c1)[*:1]
CSC[C@H]([NH3+])[C@@H]1CCO[C@]2(CCOC2)C1 CSC[*:1] [NH3+][C@H]([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
COCC[C@@H](C)NC(=O)Nc1cc(F)ccc1OC COCC[C@@H](C)[*:1] COc1ccc(F)cc1NC(=O)N[*:1]
COCC[C@@H](C)NC(=O)Nc1cc(F)ccc1OC COCC[*:1] COc1ccc(F)cc1NC(=O)N[C@H](C)[*:1]
COCC[C@@H](C)NC(=O)Nc1cc(F)ccc1OC COC[*:1] COc1ccc(F)cc1NC(=O)N[C@H](C)C[*:1]
CC(C)CC(=O)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 CC(C)[*:1] O=C(C[*:1])NC(=S)Nc1ccc(cc1)C[NH+]1CCCCC1
CC(C)CC(=O)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 CC(C)C[*:1] O=C(NC(=S)Nc1ccc(cc1)C[NH+]1CCCCC1)[*:1]
O=C(Nc1nnc(-c2ccno2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1nnc(o1)-c1ccno1)c1ccc(cc1)[*:1]
O=C(Nc1nnc(-c2ccno2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 c1cc(on1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
CCc1cccc[n+]1[C@@H](C)C(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1cccc[n+]1[C@@H](C)C(=O)NC[*:1]
CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Br C1CO[C@@H](C1)[*:1] CCOc1ccc(cc1Br)C(=O)NC[*:1]
CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Br C1CO[C@@H](C1)C[*:1] CCOc1ccc(cc1Br)C(=O)N[*:1]
CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Br CCO[*:1] O=C(NC[C@@H]1CCCO1)c1ccc(c(Br)c1)[*:1]
Cc1ccc(OCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] N/C(=N\OC(=O)CO[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1ccc(OCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)c(Br)c1 O=[N+]([O-])[*:1] Cc1ccc(OCC(=O)O/N=C(\N)c2ccc(cc2)[*:1])c(Br)c1
C=CCCCN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O C=CCC[*:1] CN(C[*:1])C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(F)cc1
C=CCCCN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O C=CC[*:1] CN(CC[*:1])C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(F)cc1
C=CCCCN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] C=CCCCN(C)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
C=CCCCN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O C=CCCC[*:1] CN(C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(F)cc1)[*:1]
COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C=C[C@]12C COC(=O)CC[C@@H](C)[*:1] C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2C=C[C@@]2(C)[C@H]1CC[C@H]2[*:1]
COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C=C[C@]12C COC(=O)CC[*:1] C[C@@H]([C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C=C[C@@]21C)[*:1]
COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C=C[C@]12C COC(=O)C[*:1] C[C@H](C[*:1])[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C=C[C@]12C
COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C=C[C@]12C COC(=O)[*:1] C[C@H](CC[*:1])[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C=C[C@]12C
C/C=C(/C)C(=O)Nc1ccc(C(N)=O)cc1 CC=C(C)[*:1] NC(=O)c1ccc(cc1)NC(=O)[*:1]
C/C=C(/C)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] C/C=C(/C)C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1OCCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 COc1ccccc1O[*:1] O=C(NCC[*:1])c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
COc1ccccc1OCCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 COc1ccccc1[*:1] O=C(NCCO[*:1])c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
Cn1ccnc1SCC(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C Cn1ccnc1SC[*:1] CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)[*:1]
Cn1ccnc1SCC(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C Cn1ccnc1[*:1] CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CS[*:1]
Cn1ccnc1SCC(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C c1ccc(cc1)[*:1] Cn1ccnc1SCC(=O)N1c2ccccc2[C@](C)(CC1(C)C)[*:1]
Cn1ccnc1SCC(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C Cn1ccnc1S[*:1] CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)C[*:1]
N#CCCN1CCN(c2cc(Cl)c(C#N)cc2F)CC1 N#CCC[*:1] N#Cc1cc(F)c(cc1Cl)N1CCN(CC1)[*:1]
N#CCCN1CCN(c2cc(Cl)c(C#N)cc2F)CC1 N#CC[*:1] N#Cc1cc(F)c(cc1Cl)N1CCN(CC1)C[*:1]
CN(CCC[C@H]1CCCO1)C(=O)c1c[nH]nc1-c1cccc(F)c1 C1CO[C@H](C1)CCC[*:1] CN(C(=O)c1c[nH]nc1-c1cccc(F)c1)[*:1]
CN(CCC[C@H]1CCCO1)C(=O)c1c[nH]nc1-c1cccc(F)c1 C1CO[C@H](C1)C[*:1] CN(CC[*:1])C(=O)c1c[nH]nc1-c1cccc(F)c1
CN(CCC[C@H]1CCCO1)C(=O)c1c[nH]nc1-c1cccc(F)c1 C1CO[C@H](C1)CC[*:1] CN(C[*:1])C(=O)c1c[nH]nc1-c1cccc(F)c1
CN(CCC[C@H]1CCCO1)C(=O)c1c[nH]nc1-c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(CCC[C@H]1CCCO1)C(=O)c1c[nH]nc1[*:1]
CN(CCC[C@H]1CCCO1)C(=O)c1c[nH]nc1-c1cccc(F)c1 C1CO[C@H](C1)[*:1] CN(CCC[*:1])C(=O)c1c[nH]nc1-c1cccc(F)c1
CCCNC(=O)c1ccccc1NC(=O)c1ccoc1C Cc1occc1[*:1] CCCNC(=O)c1ccccc1NC(=O)[*:1]
CCCNC(=O)c1ccccc1NC(=O)c1ccoc1C CCC[*:1] Cc1occc1C(=O)Nc1ccccc1C(=O)N[*:1]
CCCNC(=O)c1ccccc1NC(=O)c1ccoc1C CCCNC(=O)[*:1] Cc1occc1C(=O)Nc1ccccc1[*:1]
Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)c1 CC(C)(O)[*:1] Cc1cccc(c1)-c1cnc(C)nc1[C@H]1CCCN(Cc2ccc(C#C[*:1])cc2)C1
Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)c1 Cc1cccc(c1)[*:1] Cc1ncc(c(n1)[C@H]1CCCN(Cc2ccc(C#CC(C)(C)O)cc2)C1)[*:1]
Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)c1 CC(C)(O)C#C[*:1] Cc1cccc(c1)-c1cnc(C)nc1[C@H]1CCCN(Cc2ccc(cc2)[*:1])C1
CCSCCC(=O)N1CCC(O)(C(F)(F)F)CC1 CCSC[*:1] O=C(C[*:1])N1CCC(O)(CC1)C(F)(F)F
CCSCCC(=O)N1CCC(O)(C(F)(F)F)CC1 CCSCC[*:1] O=C(N1CCC(O)(CC1)C(F)(F)F)[*:1]
CCSCCC(=O)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] CCSCCC(=O)N1CCC(O)(CC1)[*:1]
CCSCCC(=O)N1CCC(O)(C(F)(F)F)CC1 CCS[*:1] O=C(CC[*:1])N1CCC(O)(CC1)C(F)(F)F
CN(C(=O)c1ccc(-n2cccc2)nc1)C1CCCCC1 c1ccn(c1)[*:1] CN(C(=O)c1ccc(nc1)[*:1])C1CCCCC1
CN(C(=O)c1ccc(-n2cccc2)nc1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1ccc(nc1)-n1cccc1)[*:1]
COc1ccc([N+](=O)[O-])cc1/C=N/NC(N)=S O=[N+]([O-])[*:1] COc1ccc(cc1/C=N/NC(N)=S)[*:1]
CCc1cc(C#N)c(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 O=[N+]([O-])[*:1] CCc1cc(C#N)c(NC(=O)c2ccc(cc2)[*:1])s1
C[C@H](Cl)CCc1c[nH+]cn1C1CC1 C[C@H](Cl)[*:1] c1[nH+]cn(c1CC[*:1])C1CC1
C[C@H](Cl)CCc1c[nH+]cn1C1CC1 C1CC1[*:1] C[C@H](Cl)CCc1c[nH+]cn1[*:1]
C[C@H](Cl)CCc1c[nH+]cn1C1CC1 C[C@H](Cl)C[*:1] c1[nH+]cn(c1C[*:1])C1CC1
Clc1ccc(CSc2nnc(Cn3cnc(Cl)c3Cl)o2)cc1 Clc1ccc(cc1)[*:1] Clc1ncn(Cc2nnc(o2)SC[*:1])c1Cl
Clc1ccc(CSc2nnc(Cn3cnc(Cl)c3Cl)o2)cc1 Clc1ncn(c1Cl)[*:1] Clc1ccc(cc1)CSc1nnc(C[*:1])o1
O=C(NCCCc1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(NCCCc1ccc(F)cc1)c1cccc(c1)[*:1]
O=C(NCCCc1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 Fc1ccc(cc1)[*:1] O=C(NCCC[*:1])c1cccc(c1)N1CCCC1=O
O=C(NCCCc1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 Fc1ccc(cc1)C[*:1] O=C(NCC[*:1])c1cccc(c1)N1CCCC1=O
C=C(C)CN(CC)C(=O)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 C=C(C)[*:1] CCN(C[*:1])C(=O)CSc1nc(N)c2c3CC[C@H](C)Cc3sc2n1
C=C(C)CN(CC)C(=O)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 C=C(C)C[*:1] CCN(C(=O)CSc1nc(N)c2c3CC[C@H](C)Cc3sc2n1)[*:1]
NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 NS(=O)(=O)[*:1] O=S(=O)(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cccc(c1)[*:1]
NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 FC(F)(F)[*:1] NS(=O)(=O)c1cccc(c1)S(=O)(=O)N[C@@H]1CCCC[C@H]1[*:1]
CSCC[C@H]1NC(=S)N(c2ccc(Cl)c(NC(C)=O)c2)C1=O CC(=O)N[*:1] CSCC[C@H]1NC(=S)N(C1=O)c1ccc(Cl)c(c1)[*:1]
CSCC[C@H]1NC(=S)N(c2ccc(Cl)c(NC(C)=O)c2)C1=O CSCC[*:1] CC(=O)Nc1cc(ccc1Cl)N1C(=O)[C@H](NC1=S)[*:1]
CSCC[C@H]1NC(=S)N(c2ccc(Cl)c(NC(C)=O)c2)C1=O CSC[*:1] CC(=O)Nc1cc(ccc1Cl)N1C(=O)[C@@H](C[*:1])NC1=S
Cc1nn2c(NCc3ccccn3)cc(C(C)(C)C)nc2c1-c1ccccc1 c1ccc(CN[*:1])nc1 Cc1nn2c(cc(nc2c1-c1ccccc1)C(C)(C)C)[*:1]
Cc1nn2c(NCc3ccccn3)cc(C(C)(C)C)nc2c1-c1ccccc1 c1ccc(nc1)[*:1] Cc1nn2c(cc(nc2c1-c1ccccc1)C(C)(C)C)NC[*:1]
Cc1nn2c(NCc3ccccn3)cc(C(C)(C)C)nc2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn2c(cc(nc2c1[*:1])C(C)(C)C)NCc1ccccn1
Cc1nn2c(NCc3ccccn3)cc(C(C)(C)C)nc2c1-c1ccccc1 c1ccc(C[*:1])nc1 Cc1nn2c(cc(nc2c1-c1ccccc1)C(C)(C)C)N[*:1]
Cc1nn2c(NCc3ccccn3)cc(C(C)(C)C)nc2c1-c1ccccc1 CC(C)(C)[*:1] Cc1nn2c(cc(nc2c1-c1ccccc1)[*:1])NCc1ccccn1
C[C@H]1CN(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)N(C[C@@H](C)O)[*:1]
C[C@H]1CN(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)C[C@@H](C)O1 C[C@@H](O)C[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)N(c1ccccc1)[*:1]
C[C@H]1CN(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)C[C@@H](C)O1 C[C@@H](O)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)N(C[*:1])c1ccccc1
C[C@@H]1CCc2c(sc3nc(CN(C)CCS(C)(=O)=O)nc(N)c23)C1 CS(=O)(=O)C[*:1] C[C@@H]1CCc2c(C1)sc1nc(CN(C)C[*:1])nc(N)c21
C[C@@H]1CCc2c(sc3nc(CN(C)CCS(C)(=O)=O)nc(N)c23)C1 CN(CCS(C)(=O)=O)[*:1] C[C@@H]1CCc2c(C1)sc1nc(C[*:1])nc(N)c21
C[C@@H]1CCc2c(sc3nc(CN(C)CCS(C)(=O)=O)nc(N)c23)C1 CS(=O)(=O)CC[*:1] C[C@@H]1CCc2c(C1)sc1nc(CN(C)[*:1])nc(N)c21
C[C@@H]1CCc2c(sc3nc(CN(C)CCS(C)(=O)=O)nc(N)c23)C1 CS(=O)(=O)[*:1] C[C@@H]1CCc2c(C1)sc1nc(CN(C)CC[*:1])nc(N)c21
CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCNC(=O)c1ccc(cc1)[N-]S(=O)(=O)c1ccccc1[*:1]
CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 CCNC(=O)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(cc1)[*:1]
CCC[C@@H](C#N)NC(=O)c1cn(C)nc1C(F)(F)F FC(F)(F)[*:1] CCC[C@@H](C#N)NC(=O)c1cn(C)nc1[*:1]
CCC[C@@H](C#N)NC(=O)c1cn(C)nc1C(F)(F)F CCC[C@@H](C#N)[*:1] Cn1cc(C(=O)N[*:1])c(n1)C(F)(F)F
CCC[C@@H](C#N)NC(=O)c1cn(C)nc1C(F)(F)F CCC[*:1] Cn1cc(C(=O)N[C@H](C#N)[*:1])c(n1)C(F)(F)F
Cc1cc2cc([C@@H](c3nnnn3Cc3ccco3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C c1coc(c1)[*:1] Cc1cc2cc(c(=O)[nH]c2cc1C)[C@@H](c1nnnn1C[*:1])[NH+]1CCCCC1
Cc1cc2cc([C@@H](c3nnnn3Cc3ccco3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C c1coc(c1)C[*:1] Cc1cc2cc(c(=O)[nH]c2cc1C)[C@@H](c1nnnn1[*:1])[NH+]1CCCCC1
Cc1ccc(-c2nc(NC(=O)[C@H]3CCC(=O)O3)sc2C)cc1 Cc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)[C@H]1CCC(=O)O1
CC(=O)N[C@H]1[C@H](Oc2ccc(C(C)=O)cc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O CC(=O)c1ccc(cc1)[*:1] CC(=O)N[C@H]1[C@@H](O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O)O[*:1]
CC(=O)N[C@H]1[C@H](Oc2ccc(C(C)=O)cc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O CC(=O)[*:1] CC(=O)N[C@H]1[C@H](Oc2ccc(cc2)[*:1])O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O
CC(=O)N[C@H]1[C@H](Oc2ccc(C(C)=O)cc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O CC(=O)N[*:1] CC(=O)c1ccc(cc1)O[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1[*:1]
O=C(c1csc(-c2ccccc2)n1)N1CCN(c2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(c1csc(n1)[*:1])N1CCN(CC1)c1ccccc1F
O=C(c1csc(-c2ccccc2)n1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1csc(n1)-c1ccccc1)N1CCN(CC1)[*:1]
Cc1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(F)c(C#N)c2)s1 Cc1ccc(s1)[*:1] N#Cc1cc(ccc1F)NC(=O)[C@@H]1C[C@@H]1[*:1]
O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC=CC1 O=[N+]([O-])[*:1] O=C(OCc1cnc(o1)-c1ccc(cc1)[*:1])C1CC=CC1
CCOC(=O)C1=C(C)N(C)c2sc(-c3ccccc3)c([O-])[n+]2[C@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] CCOC(=O)C1=C(C)N(C)c2sc(-c3ccccc3)c([O-])[n+]2[C@@H]1[*:1]
CCOC(=O)C1=C(C)N(C)c2sc(-c3ccccc3)c([O-])[n+]2[C@H]1c1cccc(OC)c1 CCOC(=O)[*:1] COc1cccc(c1)[C@H]1C(=C(C)N(C)c2sc(-c3ccccc3)c([O-])[n+]21)[*:1]
CCOC(=O)C1=C(C)N(C)c2sc(-c3ccccc3)c([O-])[n+]2[C@H]1c1cccc(OC)c1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N(C)c2sc(c([O-])[n+]2[C@H]1c1cccc(c1)OC)[*:1]
CC(C)[C@@](C)(O)CNC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 CC(C)[C@@](C)(O)[*:1] C[C@H](NC(=O)NC[*:1])c1nc(no1)C(C)(C)C
CC(C)[C@@](C)(O)CNC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 CC(C)[C@@](C)(O)C[*:1] C[C@H](NC(=O)N[*:1])c1nc(no1)C(C)(C)C
CC(C)[C@@](C)(O)CNC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 CC(C)[*:1] C[C@H](NC(=O)NC[C@@](C)(O)[*:1])c1nc(no1)C(C)(C)C
CC(C)[C@@](C)(O)CNC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] CC(C)[C@@](C)(O)CNC(=O)N[C@@H](C)c1nc(no1)[*:1]
COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CCc2ccccc2)C3)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)[C@@H]1NC(=O)N(C)C2CN(C(=O)C=21)[*:1]
COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CCc2ccccc2)C3)cc1 COc1ccc(cc1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CCc3ccccc3)CC=21)[*:1]
COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CCc2ccccc2)C3)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H]1NC(=O)N(C)C2CN(C[*:1])C(=O)C=21
COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CCc2ccccc2)C3)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1NC(=O)N(C)C2CN(CC[*:1])C(=O)C=21
COc1ccc2c(c1)N(C(=O)Cc1ccc(-n3cnnn3)cc1)CCO2 c1nnnn1[*:1] COc1ccc2OCCN(C(=O)Cc3ccc(cc3)[*:1])c2c1
C[C@@H](C1CC1)N(C(=O)COc1ccccc1CO)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)COc1ccccc1CO)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)COc1ccccc1CO)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)COc1ccccc1CO)[*:1]
C[C@@H](C1CC1)N(C(=O)COc1ccccc1CO)C1CC1 C[C@@H](C1CC1)[*:1] O=C(COc1ccccc1CO)N(C1CC1)[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)CCCCl)c1 ClCCC[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)CCCCl)c1 ClCC[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)C[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)CCCCl)c1 CC(C)(C)[*:1] O=C(CCCCl)Nc1cccc(c1)C(=O)N[*:1]
O=C(CCn1c([C@@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21)N1CCCCCC1 C1CCC(C1)[*:1] O=C(CCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1])N1CCCCCC1
O=C(CCn1c([C@@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=C1C[C@H](CN1C1CCCC1)c1nc2ccccc2n1CC[*:1]
O=C(CCn1c([C@@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21)N1CCCCCC1 O=C(C[*:1])N1CCCCCC1 O=C1C[C@H](CN1C1CCCC1)c1nc2ccccc2n1C[*:1]
COC(=O)C1CCN(C(=O)COc2ccc(F)cc2Cl)CC1 COC(=O)[*:1] O=C(COc1ccc(F)cc1Cl)N1CCC(CC1)[*:1]
O=Cc1cnc2c(-c3cccs3)cnn2c1 c1csc(c1)[*:1] O=Cc1cnc2c(cnn2c1)[*:1]
C=C(C)C[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O C=C(C)[*:1] O=C1N(CCC[C@]1(O)C[NH2+]C[*:1])Cc1ccc(F)c(F)c1
Cc1nc2c(C)cccn2c1C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nc2c(C)cccn2c1C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@H]1[*:1]
CCCN(CC(=O)N(C)C)c1nc2ccc(N)cc2o1 CN(C)C(=O)[*:1] CCCN(C[*:1])c1nc2ccc(N)cc2o1
CCCN(CC(=O)N(C)C)c1nc2ccc(N)cc2o1 CCC[*:1] CN(C)C(=O)CN(c1nc2ccc(N)cc2o1)[*:1]
CCCN(CC(=O)N(C)C)c1nc2ccc(N)cc2o1 CN(C)C(=O)C[*:1] CCCN(c1nc2ccc(N)cc2o1)[*:1]
COc1ccc(Cl)c(NC(=O)N2CCN(C(=O)C3CCCC3)CC2)c1 C1CCC(C1)[*:1] COc1ccc(Cl)c(c1)NC(=O)N1CCN(CC1)C(=O)[*:1]
CC(=O)OCC1(COC(C)=O)CC[C@H]2O[C@H]2C1 CC(=O)OC[*:1] CC(=O)OCC1(CC[C@H]2O[C@H]2C1)[*:1]
CC(=O)OCC1(COC(C)=O)CC[C@H]2O[C@H]2C1 CC(=O)O[*:1] CC(=O)OCC1(CC[C@H]2O[C@H]2C1)C[*:1]
C[C@@H]1C[C@H](NC(=O)N2CCC(n3cncn3)CC2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)N1CCC(CC1)n1cncn1
C[C@@H]1C[C@H](NC(=O)N2CCC(n3cncn3)CC2)CN1c1ccccc1 c1ncn(n1)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)N1CCC(CC1)[*:1]
COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)c(F)c1F FC(F)(F)[*:1] COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(Cl)cc2[*:1])c(F)c1F
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1C)[*:1]
Cc1ccc(OCc2n[n-]c(SCC3=NC(=O)C4=C(c5cccs5)CSC4=N3)n2)cc1 Cc1ccc(cc1)OC[*:1] O=C1N=C(CSc2nc(n[n-]2)[*:1])N=C2SCC(=C12)c1cccs1
Cc1ccc(OCc2n[n-]c(SCC3=NC(=O)C4=C(c5cccs5)CSC4=N3)n2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)OCc1n[n-]c(n1)SCC1=NC(=O)C2C(=N1)SCC=2[*:1]
Cc1ccc(OCc2n[n-]c(SCC3=NC(=O)C4=C(c5cccs5)CSC4=N3)n2)cc1 Cc1ccc(cc1)O[*:1] O=C1N=C(CSc2nc(C[*:1])n[n-]2)N=C2SCC(=C12)c1cccs1
Cc1ccc(OCc2n[n-]c(SCC3=NC(=O)C4=C(c5cccs5)CSC4=N3)n2)cc1 Cc1ccc(cc1)[*:1] O=C1N=C(CSc2nc(CO[*:1])n[n-]2)N=C2SCC(=C12)c1cccs1
Cc1ccc([C@@H](C)NC(=O)Nc2ncn(CC(=O)N(C)C)n2)o1 CN(C)C(=O)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)Nc1ncn(C[*:1])n1
Cc1ccc([C@@H](C)NC(=O)Nc2ncn(CC(=O)N(C)C)n2)o1 CN(C)C(=O)C[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)Nc1ncn(n1)[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2ncn(CC(=O)N(C)C)n2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)[*:1]
C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO O=C(CO)[*:1] C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)[*:1]
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)[C@@]1(NC(=O)N(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1=O)[*:1]
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1C Cc1ccc(cc1C)[*:1] CN(C(=O)CN1C(=O)N[C@](C1=O)(c1ccccc1)[*:1])[C@@H]1CCS(=O)(=O)C1
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Cl)nc1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])C(=O)NCc1ccc(Cl)nc1
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] C[C@@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)NC[*:1]
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Cl)nc1 Clc1ccc(cn1)C[*:1] C[C@@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
OCC[C@H]1C[NH2+]CCN1Cc1ccc(F)c(F)c1 OCC[*:1] Fc1ccc(cc1F)CN1CC[NH2+]C[C@@H]1[*:1]
Cc1nc(CCCO/N=C(/N)CN2CCc3ccccc32)cs1 Cc1nc(cs1)C[*:1] N/C(CN1CCc2ccccc21)=N/OCC[*:1]
Cc1nc(CCCO/N=C(/N)CN2CCc3ccccc32)cs1 Cc1nc(cs1)[*:1] N/C(CN1CCc2ccccc21)=N/OCCC[*:1]
CC/C(=C\c1c(F)cccc1Cl)C[NH2+]C1CC1 C1CC1[*:1] CC/C(=C\c1c(F)cccc1Cl)C[NH2+][*:1]
CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2cccs2)NC(=O)N1 Brc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1cccs1
CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2cccs2)NC(=O)N1 c1csc(c1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccc(Br)cc1)[*:1]
C=CCn1c(=C(C#N)C#N)s/c(=C\c2cccc(OCC)c2)c1=O CCO[*:1] C=CCn1c(s/c(=C\c2cccc(c2)[*:1])c1=O)=C(C#N)C#N
C=CCn1c(=C(C#N)C#N)s/c(=C\c2cccc(OCC)c2)c1=O C=CC[*:1] CCOc1cccc(/C=c2\sc(=C(C#N)C#N)n(c2=O)[*:1])c1
COCCNC(=O)c1cc2cc(OC)ccc2oc1=O COC[*:1] COc1ccc2oc(=O)c(cc2c1)C(=O)NC[*:1]
COCCNC(=O)c1cc2cc(OC)ccc2oc1=O COCC[*:1] COc1ccc2oc(=O)c(cc2c1)C(=O)N[*:1]
CC1(C)CCC[C@@H]1[NH2+]Cc1ccn(C2CCCC2)n1 C1CCC(C1)[*:1] CC1(C)CCC[C@@H]1[NH2+]Cc1ccn(n1)[*:1]
COc1ccc(OC)c(CNC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)c1 COc1ccc(OC)c(c1)[*:1] O=C(Cc1ccc(cc1)NC(=O)N1CCSc2ncccc21)NC[*:1]
COc1ccc(OC)c(CNC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)c1 COc1ccc(OC)c(c1)C[*:1] O=C(Cc1ccc(cc1)NC(=O)N1CCSc2ncccc21)N[*:1]
CCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C CCC[*:1] C[C@H]1CCC[C@@H](NC(=O)[C@]2(C)Cn3c(nc4ccccc43)C(=O)N2[*:1])[C@H]1C
C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cc1cccc(c1)C(F)(F)F)C(=O)N[*:1]
C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1 FC(F)(F)[*:1] C[C@H](NC(=O)Cc1cccc(c1)[*:1])C(=O)Nc1ccccc1
O=C([O-])CNCC[NH+]1CCCCCC1 O=C([O-])C[*:1] C1CCC[NH+](CC1)CCN[*:1]
O=C([O-])CNCC[NH+]1CCCCCC1 O=C([O-])[*:1] C1CCC[NH+](CC1)CCNC[*:1]
C[C@@H](Cc1cccnc1)NC(=O)Cn1nnnc1C[NH+]1CCCCCC1 c1cncc(c1)C[*:1] C[C@@H](NC(=O)Cn1nnnc1C[NH+]1CCCCCC1)[*:1]
C[C@@H](Cc1cccnc1)NC(=O)Cn1nnnc1C[NH+]1CCCCCC1 c1cncc(c1)[*:1] C[C@@H](C[*:1])NC(=O)Cn1nnnc1C[NH+]1CCCCCC1
O=S(=O)(NC[C@@H]1CCCN(c2ncccn2)C1)c1cc(F)c(F)c(F)c1 c1cnc(nc1)[*:1] O=S(=O)(NC[C@@H]1CCCN(C1)[*:1])c1cc(F)c(F)c(F)c1
COc1ccc2[nH]cc(C(=O)[C@@H](C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 FC(F)(F)c1cccc(c1)[*:1] COc1ccc2[nH]cc(C(=O)[C@@H](C)N3CCN(CC3)[*:1])c2c1
COc1ccc2[nH]cc(C(=O)[C@@H](C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 FC(F)(F)[*:1] COc1ccc2[nH]cc(C(=O)[C@@H](C)N3CCN(CC3)c3cccc(c3)[*:1])c2c1
C[C@H]1CCCCN1C(=O)CCC(=O)/N=C1/N=N[C@H](C(F)(F)F)S1 FC(F)(F)[*:1] C[C@H]1CCCCN1C(=O)CCC(=O)/N=C1/N=N[C@H](S1)[*:1]
CC(C)C(=O)NCC[NH2+]Cc1ccc([O-])c[nH+]1 CC(C)[*:1] O=C(NCC[NH2+]Cc1ccc([O-])c[nH+]1)[*:1]
COc1ccc(F)cc1NC(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] COc1ccc(F)cc1NC(=O)N(C)C[*:1]
COc1ccc(F)cc1NC(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] COc1ccc(F)cc1NC(=O)N(C)CC[*:1]
COc1ccc(F)cc1NC(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] COc1ccc(F)cc1NC(=O)N(C)[*:1]
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccnc2C)c1 Cc1ncccc1[*:1] COc1ccc(OC)c(c1)S(=O)(=O)[N-][*:1]
CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccc3c(c2)OCO3)C1=O c1cc2OCOc2cc1C[*:1] CC[C@@H]1CCCCN1C(=O)C[C@]1(CC(=O)N(C1=O)[*:1])c1ccccc1
CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccc3c(c2)OCO3)C1=O c1cc2OCOc2cc1[*:1] CC[C@@H]1CCCCN1C(=O)C[C@]1(CC(=O)N(C[*:1])C1=O)c1ccccc1
CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccc3c(c2)OCO3)C1=O c1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)C[C@]1(CC(=O)N(Cc2ccc3OCOc3c2)C1=O)[*:1]
CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccncc1 c1cc(ccn1)C[*:1] CC1(C)CO[C@H](CN1[*:1])c1ccccc1
CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccncc1 c1ccc(cc1)[*:1] CC1(C)CO[C@@H](CN1Cc1ccncc1)[*:1]
CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccncc1 c1cc(ccn1)[*:1] CC1(C)CO[C@H](CN1C[*:1])c1ccccc1
Cc1nc(N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)sc1C Cc1nc(sc1C)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)N1CCN(CC1)[*:1]
Cc1nc(N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)sc1C CC(C)(C)[*:1] Cc1nc(sc1C)N1CCN(CC1)[C@@H]1CCN(C1)C(=O)O[*:1]
Cc1noc(C2CN(C(=O)COc3ccccc3C)C2)n1 Cc1ccccc1[*:1] Cc1noc(n1)C1CN(C1)C(=O)CO[*:1]
Cc1noc(C2CN(C(=O)COc3ccccc3C)C2)n1 Cc1noc(n1)[*:1] Cc1ccccc1OCC(=O)N1CC(C1)[*:1]
O=C(CCCNC(=O)c1cccs1)NC1CCC([NH+]2CCCCC2)CC1 O=C(N[*:1])c1cccs1 O=C(CCC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
O=C(CCCNC(=O)c1cccs1)NC1CCC([NH+]2CCCCC2)CC1 c1csc(c1)[*:1] O=C(CCCNC(=O)[*:1])NC1CCC(CC1)[NH+]1CCCCC1
Cc1ccc2c(C(=O)N3CCCC[C@@H]3C)cc(-c3cncnc3)nc2c1C c1ncc(cn1)[*:1] Cc1ccc2c(cc(nc2c1C)[*:1])C(=O)N1CCCC[C@@H]1C
Cc1ccc2c(C(=O)N3CCCC[C@@H]3C)cc(-c3cncnc3)nc2c1C C[C@H]1CCCCN1C(=O)[*:1] Cc1ccc2c(cc(nc2c1C)-c1cncnc1)[*:1]
O=C(NCC(c1ccccc1)c1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(NCC(c1ccccc1)c1ccccc1)[*:1]
O=C(NCC(c1ccccc1)c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(NCC(c1ccccc1)[*:1])c1ccco1
C=CCOc1ccccc1[C@@H](C1=C(C)N=N[C@@H]1O)c1c(C)n[nH]c1[O-] C=CC[*:1] CC1N=N[C@H](O)C=1[C@H](c1ccccc1O[*:1])c1c(C)n[nH]c1[O-]
C=CCOc1ccccc1[C@@H](C1=C(C)N=N[C@@H]1O)c1c(C)n[nH]c1[O-] C=CCO[*:1] CC1N=N[C@H](O)C=1[C@H](c1ccccc1[*:1])c1c(C)n[nH]c1[O-]
Cc1ccc2[nH]c(SCC(=O)c3cc(C)n(-c4cc(C)on4)c3C)nc2c1 Cc1cc(no1)[*:1] Cc1ccc2[nH]c(nc2c1)SCC(=O)c1cc(C)n(c1C)[*:1]
CC(C)(C)OC(=O)c1cccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1 CC(C)(C)OC(=O)[*:1] O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(c1)[*:1]
CC(C)(C)OC(=O)c1cccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1 CC(C)(C)[*:1] O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(c1)C(=O)O[*:1]
[NH3+]C1(CC(=O)Nc2cccc(-n3cnnn3)c2)CCC1 c1nnnn1[*:1] [NH3+]C1(CCC1)CC(=O)Nc1cccc(c1)[*:1]
Cc1cc2ncc([C@H](C)[NH2+]Cc3ccccc3OCC3CC3)c(C)n2n1 C1CC1[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)[NH2+]Cc1ccccc1OC[*:1]
Cc1cc2ncc([C@H](C)[NH2+]Cc3ccccc3OCC3CC3)c(C)n2n1 C1CC1C[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)[NH2+]Cc1ccccc1O[*:1]
Cc1cc2ncc([C@H](C)[NH2+]Cc3ccccc3OCC3CC3)c(C)n2n1 C1CC1CO[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)[NH2+]Cc1ccccc1[*:1]
C/C(=C/C(=O)NC[C@@H]1CCCO1)NNC(=O)c1cccs1 C1CO[C@@H](C1)C[*:1] C/C(=C/C(=O)N[*:1])NNC(=O)c1cccs1
C/C(=C/C(=O)NC[C@@H]1CCCO1)NNC(=O)c1cccs1 C1CO[C@@H](C1)[*:1] C/C(=C/C(=O)NC[*:1])NNC(=O)c1cccs1
C/C(=C/C(=O)NC[C@@H]1CCCO1)NNC(=O)c1cccs1 c1csc(c1)[*:1] C/C(=C/C(=O)NC[C@@H]1CCCO1)NNC(=O)[*:1]
COc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)NC(=O)/C=C/c1ccc(Cl)c(c1)[*:1]
CSC1(CNc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 O=[N+]([O-])[*:1] CSC1(CCOCC1)CNc1ccc(cc1Cl)[*:1]
CC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C CC(=O)[*:1] CC1(C)O[C@H]2C[C@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@]2(O1)[*:1]
Cc1ccc(N[C@@H](CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 Cc1ccc(cc1)N[*:1] Cc1ccc(cc1)S(=O)(=O)NC[C@@H](c1ccccc1)[*:1]
Cc1ccc(N[C@@H](CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N[C@@H](CNS(=O)(=O)[*:1])c1ccccc1
Cc1ccc(N[C@@H](CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N[C@@H](CNS(=O)(=O)c1ccc(C)cc1)[*:1]
Cc1ccc(N[C@@H](CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)NC[C@H](N[*:1])c1ccccc1
CC1(C)[C@@H](c2nc3ccc(F)cc3s2)[C@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)[C@@H](c2nc3ccc(F)cc3s2)[C@@H]1[*:1]
CCc1nc(C)c([C@@H](C)OC(=O)[C@@H](C)c2ccc3c(c2)OCCO3)s1 CCc1nc(C)c(s1)[*:1] C[C@H](C(=O)O[C@H](C)[*:1])c1ccc2OCCOc2c1
COCCC(=O)N1CCC(NC(=O)c2cccc3cc[nH]c23)CC1 COCC[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])c1cccc2cc[nH]c12
COCCC(=O)N1CCC(NC(=O)c2cccc3cc[nH]c23)CC1 COC[*:1] O=C(NC1CCN(CC1)C(=O)C[*:1])c1cccc2cc[nH]c12
Nc1ccc2nc(C[S@@](=O)C3CCOCC3)oc2c1 C1CC(CCO1)[*:1] Nc1ccc2nc(C[S@@](=O)[*:1])oc2c1
COC(=O)c1nccc(N2CCO[C@H](CC(=O)[O-])C2)n1 O=C([O-])C[*:1] COC(=O)c1nccc(n1)N1CCO[C@H](C1)[*:1]
COC(=O)c1nccc(N2CCO[C@H](CC(=O)[O-])C2)n1 COC(=O)[*:1] O=C([O-])C[C@@H]1CN(CCO1)c1ccnc(n1)[*:1]
COC(=O)c1nccc(N2CCO[C@H](CC(=O)[O-])C2)n1 O=C([O-])[*:1] COC(=O)c1nccc(n1)N1CCO[C@@H](C1)C[*:1]
COCC[NH+](CC(=O)[O-])Cc1cc(F)cc(Br)c1 COC[*:1] O=C([O-])C[NH+](Cc1cc(F)cc(Br)c1)C[*:1]
COCC[NH+](CC(=O)[O-])Cc1cc(F)cc(Br)c1 O=C([O-])[*:1] COCC[NH+](Cc1cc(F)cc(Br)c1)C[*:1]
COCC[NH+](CC(=O)[O-])Cc1cc(F)cc(Br)c1 COCC[*:1] O=C([O-])C[NH+](Cc1cc(F)cc(Br)c1)[*:1]
Nn1c(N/N=C/c2cccc(Cl)c2Cl)nnc1SCC(=O)Nc1c(F)cccc1F Clc1cccc(c1Cl)[*:1] Nn1c(nnc1SCC(=O)Nc1c(F)cccc1F)NN=C[*:1]
Nn1c(N/N=C/c2cccc(Cl)c2Cl)nnc1SCC(=O)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] Nn1c(nnc1SCC(=O)N[*:1])N/N=C/c1cccc(Cl)c1Cl
O=C1NC(=O)[C@H]2[C@H]1[C@H](c1ccc(Cl)cc1)NN2Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1NC(=O)[C@H]2[C@H]1[C@@H](NN2[*:1])c1ccc(Cl)cc1
O=C1NC(=O)[C@H]2[C@H]1[C@H](c1ccc(Cl)cc1)NN2Cc1ccccc1 c1ccc(cc1)[*:1] O=C1NC(=O)[C@H]2[C@H]1[C@@H](NN2C[*:1])c1ccc(Cl)cc1
O=C1NC(=O)[C@H]2[C@H]1[C@H](c1ccc(Cl)cc1)NN2Cc1ccccc1 Clc1ccc(cc1)[*:1] O=C1NC(=O)[C@H]2[C@H]1[C@H](NN2Cc1ccccc1)[*:1]
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](C)CCc1cccn1C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1C(=O)N[C@@H](C)CCc1cccn1C)[*:1]
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](C)CCc1cccn1C Cn1cccc1[*:1] Cc1oc(cc1C(=O)N[C@@H](C)CC[*:1])S(=O)(=O)N(C)C
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](C)CCc1cccn1C Cn1cccc1CC[*:1] Cc1oc(cc1C(=O)N[C@@H](C)[*:1])S(=O)(=O)N(C)C
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](C)CCc1cccn1C Cn1cccc1C[*:1] Cc1oc(cc1C(=O)N[C@@H](C)C[*:1])S(=O)(=O)N(C)C
CCc1nnsc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] CCc1nnsc1C(=O)N1CCC(CC1)C(=O)N[*:1]
CCc1nnsc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 CCc1nnsc1[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)[*:1]
C[NH2+][C@H](CCOC)Cc1nc2ccccc2n1C COCC[*:1] C[NH2+][C@H](Cc1nc2ccccc2n1C)[*:1]
C[NH2+][C@H](CCOC)Cc1nc2ccccc2n1C COC[*:1] C[NH2+][C@@H](Cc1nc2ccccc2n1C)C[*:1]
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3)C2=O)c1 Cc1cccc(c1)[*:1] O=C(CN1C(=O)N/C(=C\c2ccccc2)C1=O)N[*:1]
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)NC(=C[*:1])C1=O
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(N2CCCC2=O)cc1 c1cc(cs1)C[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(N2CCCC2=O)cc1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccc(cc1)N1CCCC1=O
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(cc1)[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2cccc(F)c2F)C1 CC(C)C[*:1] O=C(C[C@@H]1CCCN(C1)C(=O)N[*:1])Nc1cccc(F)c1F
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2cccc(F)c2F)C1 Fc1cccc(c1F)[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[*:1])C1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2cccc(F)c2F)C1 CC(C)[*:1] O=C(C[C@@H]1CCCN(C1)C(=O)NC[*:1])Nc1cccc(F)c1F
O=S(=O)(CCCF)/N=C(\[O-])C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(CCCF)/N=C(\[O-])C(c1ccccc1)[*:1]
O=S(=O)(CCCF)/N=C(\[O-])C(c1ccccc1)c1ccccc1 FCC[*:1] O=S(=O)(C[*:1])/N=C(\[O-])C(c1ccccc1)c1ccccc1
O=S(=O)(CCCF)/N=C(\[O-])C(c1ccccc1)c1ccccc1 FCCC[*:1] O=S(=O)(/N=C(\[O-])C(c1ccccc1)c1ccccc1)[*:1]
CC(=O)N(CCOc1ccccc1)C[C@H](C)O C[C@H](O)C[*:1] CC(=O)N(CCOc1ccccc1)[*:1]
CC(=O)N(CCOc1ccccc1)C[C@H](C)O C[C@H](O)[*:1] CC(=O)N(CCOc1ccccc1)C[*:1]
CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 CC(C)[*:1] CCOc1cc(sc1C(=O)N1CCN(CC1)c1cc(C)[nH+]c(n1)[*:1])-c1ccccc1
CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 c1ccc(cc1)[*:1] CCOc1cc(sc1C(=O)N1CCN(CC1)c1cc(C)[nH+]c(n1)C(C)C)[*:1]
CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 CCO[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)C(=O)c1sc(cc1[*:1])-c1ccccc1
CCCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OC)c1 CCCC[*:1] COc1cccc(c1)[C@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1ccccc1O
CCCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OC)c1 CCC[*:1] COc1cccc(c1)[C@H]1c2c(n[nH]c2C(=O)N1CC[*:1])-c1ccccc1O
CCCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OC)c1 CCCCC[*:1] COc1cccc(c1)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccccc1O
CCCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] CCCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1[*:1]
CCCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OC)c1 Oc1ccccc1[*:1] CCCCCN1C(=O)c2[nH]nc(c2[C@@H]1c1cccc(c1)OC)[*:1]
O=C(NCCC(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 C1CO[C@H](C1)C[*:1] O=C(NCCC(=O)N1CCN(CC1)[*:1])c1ccc(Br)cc1
O=C(NCCC(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCNC(=O)[*:1])N1CCN(CC1)C[C@H]1CCCO1
COCc1ccccc1[C@@H](O)[C@@H]1CCOC2(CCC2)C1 COC[*:1] O[C@H](c1ccccc1[*:1])[C@@H]1CCOC2(CCC2)C1
C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(CC(N)=O)cc1 NC(=O)[*:1] C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(cc1)C[*:1]
C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(CC(N)=O)cc1 c1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(cc1)CC(N)=O
C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(CC(N)=O)cc1 c1ccc(cc1)S[*:1] C[C@@H](C(=O)Nc1ccc(cc1)CC(N)=O)[*:1]
C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(CC(N)=O)cc1 NC(=O)C[*:1] C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
S=c1[nH]cc(-c2ccccc2)n1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] S=c1[nH]cc(-c2ccccc2)n1C[*:1]
S=c1[nH]cc(-c2ccccc2)n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] S=c1[nH]cc(-c2ccccc2)n1[*:1]
S=c1[nH]cc(-c2ccccc2)n1C[C@H]1CCCO1 c1ccc(cc1)[*:1] S=c1[nH]cc(n1C[C@H]1CCCO1)[*:1]
COCCCNC(=O)CC1CCN(C(=O)[C@@H]2C=c3ccccc3=[NH+]2)CC1 COCC[*:1] O=C(CC1CCN(CC1)C(=O)[C@@H]1C=c2ccccc2=[NH+]1)NC[*:1]
COCCCNC(=O)CC1CCN(C(=O)[C@@H]2C=c3ccccc3=[NH+]2)CC1 COC[*:1] O=C(CC1CCN(CC1)C(=O)[C@@H]1C=c2ccccc2=[NH+]1)NCC[*:1]
COCCCNC(=O)CC1CCN(C(=O)[C@@H]2C=c3ccccc3=[NH+]2)CC1 COCCC[*:1] O=C(CC1CCN(CC1)C(=O)[C@@H]1C=c2ccccc2=[NH+]1)N[*:1]
COCCCNC(=O)CC1CCN(C(=O)[C@@H]2C=c3ccccc3=[NH+]2)CC1 COCCCNC(=O)[*:1] O=C([C@@H]1C=c2ccccc2=[NH+]1)N1CCC(CC1)C[*:1]
CCCCc1nnc(SCCn2cnc3ccsc3c2=O)n1N CCC[*:1] Nn1c(C[*:1])nnc1SCCn1cnc2ccsc2c1=O
CCCCc1nnc(SCCn2cnc3ccsc3c2=O)n1N CCCC[*:1] Nn1c(nnc1[*:1])SCCn1cnc2ccsc2c1=O
CCN(C(C)C)[C@@H](C[NH3+])CC(C)C CC(C)[*:1] CCN([C@@H](C[NH3+])CC(C)C)[*:1]
CCN(C(C)C)[C@@H](C[NH3+])CC(C)C CC(C)[*:1] CCN(C(C)C)[C@@H](C[NH3+])C[*:1]
CCN(C(C)C)[C@@H](C[NH3+])CC(C)C CC(C)C[*:1] CCN(C(C)C)[C@@H](C[NH3+])[*:1]
C=CCN(CC(=O)[O-])C(=O)CC1([NH2+]C)CCCCC1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)CC1(CCCCC1)[NH2+]C
C=CCN(CC(=O)[O-])C(=O)CC1([NH2+]C)CCCCC1 C=CC[*:1] C[NH2+]C1(CCCCC1)CC(=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])C(=O)CC1([NH2+]C)CCCCC1 O=C([O-])C[*:1] C=CCN(C(=O)CC1(CCCCC1)[NH2+]C)[*:1]
Cc1csc(CNC(=O)NC[C@@H](O)c2cccc(Cl)c2)n1 Cc1csc(n1)[*:1] O=C(NC[C@@H](O)c1cccc(Cl)c1)NC[*:1]
Cc1csc(CNC(=O)NC[C@@H](O)c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] Cc1csc(CNC(=O)NC[C@@H](O)[*:1])n1
Cc1csc(CNC(=O)NC[C@@H](O)c2cccc(Cl)c2)n1 Cc1csc(C[*:1])n1 O=C(NC[C@@H](O)c1cccc(Cl)c1)N[*:1]
Cc1ccccc1N1CCN(C(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)CC1 c1cncc(c1)[*:1] Cc1ccccc1N1CCN(CC1)C(=O)c1nnn(-c2ccccc2Cl)c1[*:1]
Cc1ccccc1N1CCN(C(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)CC1 Cc1ccccc1[*:1] O=C(c1nnn(-c2ccccc2Cl)c1-c1cccnc1)N1CCN(CC1)[*:1]
Cc1ccccc1N1CCN(C(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)CC1 Clc1ccccc1[*:1] Cc1ccccc1N1CCN(CC1)C(=O)c1nnn(c1-c1cccnc1)[*:1]
Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2 Cc1n[nH]c(C)c1[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)NNS(=O)(=O)[*:1]
CC(C)c1nc(SCC(=O)NNC(=O)C2CCCCC2)c2c3c(sc2n1)CCCC3 C1CCC(CC1)[*:1] CC(C)c1nc(SCC(=O)NNC(=O)[*:1])c2c3CCCCc3sc2n1
CC(C)c1nc(SCC(=O)NNC(=O)C2CCCCC2)c2c3c(sc2n1)CCCC3 CC(C)[*:1] O=C(CSc1nc(nc2sc3CCCCc3c12)[*:1])NNC(=O)C1CCCCC1
CCOc1ccc(Br)cc1NC(=O)C1CC=CC1 CCO[*:1] O=C(Nc1cc(Br)ccc1[*:1])C1CC=CC1
O=C(/C(=C/c1ccc(O)cc1)c1nc2ccccc2[nH]c1=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=c1[nH]c2ccccc2nc1C(=Cc1ccc(O)cc1)[*:1]
O=C(/C(=C/c1ccc(O)cc1)c1nc2ccccc2[nH]c1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(/C(=C/c1ccc(O)cc1)c1nc2ccccc2[nH]c1=O)[*:1]
O=C(/C(=C/c1ccc(O)cc1)c1nc2ccccc2[nH]c1=O)c1ccccc1 Oc1ccc(cc1)[*:1] O=C(C(=C[*:1])c1nc2ccccc2[nH]c1=O)c1ccccc1
C=CCn1c(S[C@H]2CCCCC2=O)nnc1-c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C=CCn1c(nnc1[*:1])S[C@H]1CCCCC1=O
C=CCn1c(S[C@H]2CCCCC2=O)nnc1-c1ccc(Cl)cc1Cl C=CC[*:1] O=C1CCCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1[*:1]
C=CCn1c(S[C@H]2CCCCC2=O)nnc1-c1ccc(Cl)cc1Cl O=C1CCCC[C@@H]1S[*:1] C=CCn1c(nnc1[*:1])-c1ccc(Cl)cc1Cl
CCSC[C@H]([NH3+])c1cscc1Br CCSC[*:1] [NH3+][C@H](c1cscc1Br)[*:1]
CCSC[C@H]([NH3+])c1cscc1Br CCS[*:1] [NH3+][C@@H](C[*:1])c1cscc1Br
CCc1ccc(O)c(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 c1csc(c1)[*:1] CCc1ccc(O)c(c1)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCN(CCC(=O)NC1CC1)C(=O)c1cnc(C)cn1 O=C(NC1CC1)[*:1] CCN(CC[*:1])C(=O)c1cnc(C)cn1
CCN(CCC(=O)NC1CC1)C(=O)c1cnc(C)cn1 C1CC1[*:1] CCN(CCC(=O)N[*:1])C(=O)c1cnc(C)cn1
Cc1csc(C(=O)NCC#CCOc2cccc3c2OC(C)(C)C3)c1 Cc1csc(c1)[*:1] CC1(C)Cc2cccc(OCC#CCNC(=O)[*:1])c2O1
CCOC(=O)C1(C)CC[NH+](Cc2csc(-c3cccs3)n2)CC1 CCOC(=O)[*:1] CC1(CC[NH+](CC1)Cc1csc(n1)-c1cccs1)[*:1]
CCOC(=O)C1(C)CC[NH+](Cc2csc(-c3cccs3)n2)CC1 c1csc(c1)[*:1] CCOC(=O)C1(C)CC[NH+](CC1)Cc1csc(n1)[*:1]
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](Cc1ccco1)C3 c1coc(c1)C[*:1] COC(=O)Cc1c(C)c2cc3C[NH+](COc3c(C)c2oc1=O)[*:1]
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](Cc1ccco1)C3 COC(=O)C[*:1] Cc1c(c(=O)oc2c(C)c3OC[NH+](Cc4ccco4)Cc3cc12)[*:1]
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](Cc1ccco1)C3 c1coc(c1)[*:1] COC(=O)Cc1c(C)c2cc3C[NH+](COc3c(C)c2oc1=O)C[*:1]
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](Cc1ccco1)C3 COC(=O)[*:1] Cc1c(C[*:1])c(=O)oc2c(C)c3OC[NH+](Cc4ccco4)Cc3cc12
O=C(COC(=O)/C=C/c1ccc2c(c1)OCCO2)NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COC(=O)/C=C/c1ccc2OCCOc2c1)NC(=O)N[*:1]
[NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc(-n3cncn3)nc2)O1 c1ncn(n1)[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)Nc1ccc(nc1)[*:1]
CC1=NNS[C@H]1C(=O)N(CC1=C[C@@H]2N=CC=C2C=C1)C1CC1 C1CC1[*:1] CC1=NNS[C@H]1C(=O)N(CC1C=CC2=CC=N[C@H]2C=1)[*:1]
Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(=O)oc2cc(OC(C)C)ccc12 CC(C)O[*:1] Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(=O)oc2cc(ccc12)[*:1]
Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(=O)oc2cc(OC(C)C)ccc12 Cc1nn(C)c(C)c1C[*:1] CC(C)Oc1ccc2c(cc(=O)oc2c1)C(=O)N(C)[*:1]
Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(=O)oc2cc(OC(C)C)ccc12 CC(C)[*:1] Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(=O)oc2cc(ccc12)O[*:1]
Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(=O)oc2cc(OC(C)C)ccc12 Cc1nn(C)c(C)c1[*:1] CC(C)Oc1ccc2c(cc(=O)oc2c1)C(=O)N(C)C[*:1]
CCc1ccc(O[C@@H](C)C(=O)Nc2noc(-c3cccc(C)c3)n2)cc1 Cc1cccc(c1)[*:1] CCc1ccc(cc1)O[C@@H](C)C(=O)Nc1noc(n1)[*:1]
CCc1ccc(O[C@@H](C)C(=O)Nc2noc(-c3cccc(C)c3)n2)cc1 CCc1ccc(cc1)[*:1] Cc1cccc(c1)-c1nc(no1)NC(=O)[C@H](C)O[*:1]
CCCC(=CC(=O)N[C@H]1CCCN(c2cccnn2)C1)CCC c1cnnc(c1)[*:1] CCCC(=CC(=O)N[C@H]1CCCN(C1)[*:1])CCC
CCCC(=CC(=O)N[C@H]1CCCN(c2cccnn2)C1)CCC CCC[*:1] CCCC(=CC(=O)N[C@H]1CCCN(C1)c1cccnn1)[*:1]
CC[NH+](CC)Cc1c([O-])ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O Clc1cccc(c1)[*:1] CC[NH+](CC)Cc1c([O-])ccc2C(=O)C(=C[*:1])Oc21
Cc1[nH+]c(N2CCO[C@@H](c3ccsc3)C2)ccc1I c1cc(cs1)[*:1] Cc1[nH+]c(ccc1I)N1CCO[C@@H](C1)[*:1]
COc1ccc(Cc2nnc(S[C@@H](C)C(=O)N3CCc4ccccc43)o2)cc1 COc1ccc(cc1)[*:1] C[C@H](Sc1nnc(C[*:1])o1)C(=O)N1CCc2ccccc21
COc1ccc(Cc2nnc(S[C@@H](C)C(=O)N3CCc4ccccc43)o2)cc1 COc1ccc(cc1)C[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)N1CCc2ccccc21
COC(=O)[C@H](CSc1ccc(N)c(C)c1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](CSc1ccc(N)c(C)c1)[*:1]
COC(=O)[C@H](CSc1ccc(N)c(C)c1)c1ccccc1 COC(=O)[*:1] Cc1cc(ccc1N)SC[C@H](c1ccccc1)[*:1]
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cn2cccnc2=O)c1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NC[C@H](O)[*:1])Nc1cccc(c1)Cn1cccnc1=O
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cn2cccnc2=O)c1 O=[N+]([O-])[*:1] O=C(NC[C@H](O)c1ccc(cc1)[*:1])Nc1cccc(c1)Cn1cccnc1=O
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cn2cccnc2=O)c1 O=c1ncccn1C[*:1] O=C(NC[C@H](O)c1ccc(cc1)[N+](=O)[O-])Nc1cccc(c1)[*:1]
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cn2cccnc2=O)c1 O=c1ncccn1[*:1] O=C(NC[C@H](O)c1ccc(cc1)[N+](=O)[O-])Nc1cccc(c1)C[*:1]
Cc1ccc(CNC(=O)c2cnn3c(-c4ccccc4)ccnc23)c(C)c1 Cc1ccc(C[*:1])c(C)c1 O=C(N[*:1])c1cnn2c(ccnc12)-c1ccccc1
Cc1ccc(CNC(=O)c2cnn3c(-c4ccccc4)ccnc23)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(CNC(=O)c2cnn3c(ccnc23)[*:1])c(C)c1
Cc1ccc(CNC(=O)c2cnn3c(-c4ccccc4)ccnc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NC[*:1])c1cnn2c(ccnc12)-c1ccccc1
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(o1)-c1ccn[nH]1
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)C2)cc1OC c1cc([nH]n1)[*:1] COc1ccc(cc1OC)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(o1)[*:1]
CCN1CCO[C@@H](C(=O)NCc2[nH+]ccn2CC(C)C)C1 CC(C)[*:1] CCN1CCO[C@H](C1)C(=O)NCc1[nH+]ccn1C[*:1]
CCN1CCO[C@@H](C(=O)NCc2[nH+]ccn2CC(C)C)C1 CC(C)C[*:1] CCN1CCO[C@H](C1)C(=O)NCc1[nH+]ccn1[*:1]
C[NH+](C)Cc1ccccc1CNC(=O)CC(C)(C)C CC(C)(C)C[*:1] C[NH+](C)Cc1ccccc1CNC(=O)[*:1]
C[NH+](C)Cc1ccccc1CNC(=O)CC(C)(C)C CC(C)(C)[*:1] C[NH+](C)Cc1ccccc1CNC(=O)C[*:1]
CCc1ccc(NC(=O)[C@@H](CC)n2cc(Br)cn2)cc1 Brc1cnn(c1)[*:1] CCc1ccc(cc1)NC(=O)[C@@H](CC)[*:1]
CC[NH2+][C@H]1CC[C@@H](N(CC(F)(F)F)C(C)C)C1 CC(C)[*:1] CC[NH2+][C@H]1CC[C@H](C1)N(CC(F)(F)F)[*:1]
CC[NH2+][C@H]1CC[C@@H](N(CC(F)(F)F)C(C)C)C1 FC(F)(F)[*:1] CC[NH2+][C@H]1CC[C@H](C1)N(C[*:1])C(C)C
CC[NH2+][C@H]1CC[C@@H](N(CC(F)(F)F)C(C)C)C1 FC(F)(F)C[*:1] CC[NH2+][C@H]1CC[C@H](C1)N(C(C)C)[*:1]
Cc1cscc1C[NH2+]CC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1cscc1C[NH2+]CC(=O)N[*:1]
Cc1cscc1C[NH2+]CC(=O)NC1CCCCC1 Cc1cscc1[*:1] O=C(C[NH2+]C[*:1])NC1CCCCC1
CC[C@H](Sc1nncn1C)C(=O)Nc1nc2c(s1)CCCC2 Cn1cnnc1[*:1] CC[C@H](S[*:1])C(=O)Nc1nc2CCCCc2s1
CC[C@H](Sc1nncn1C)C(=O)Nc1nc2c(s1)CCCC2 Cn1cnnc1S[*:1] CC[C@H](C(=O)Nc1nc2CCCCc2s1)[*:1]
O=C(Nc1cccc[n+]1Cc1ccccc1)c1cnc2ccc(F)cc2c1 c1ccc(cc1)C[*:1] O=C(Nc1cccc[n+]1[*:1])c1cnc2ccc(F)cc2c1
O=C(Nc1cccc[n+]1Cc1ccccc1)c1cnc2ccc(F)cc2c1 c1ccc(cc1)[*:1] O=C(Nc1cccc[n+]1C[*:1])c1cnc2ccc(F)cc2c1
C[C@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2[nH]1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
NC(=O)c1ccc(COC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 O=C1CCCN1[*:1] NC(=O)c1ccc(cc1)COC(=O)c1ccc(Cl)c(c1)[*:1]
NC(=O)c1ccc(COC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 NC(=O)[*:1] O=C(OCc1ccc(cc1)[*:1])c1ccc(Cl)c(c1)N1CCCC1=O
CC(C)CN1C[C@H](C(=O)NCc2n[nH]c(-c3ccccc3)n2)CC1=O c1ccc(cc1)[*:1] CC(C)CN1C[C@@H](CC1=O)C(=O)NCc1n[nH]c(n1)[*:1]
CC(C)CN1C[C@H](C(=O)NCc2n[nH]c(-c3ccccc3)n2)CC1=O CC(C)C[*:1] O=C(NCc1n[nH]c(n1)-c1ccccc1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)CN1C[C@H](C(=O)NCc2n[nH]c(-c3ccccc3)n2)CC1=O CC(C)[*:1] O=C(NCc1n[nH]c(n1)-c1ccccc1)[C@@H]1CC(=O)N(C1)C[*:1]
COc1ccc(CNc2ccc(N3CCCC3=O)cc2)cc1F O=C1CCCN1[*:1] COc1ccc(cc1F)CNc1ccc(cc1)[*:1]
C[C@H](OCC(F)(F)F)C(=O)NCc1ccc(S(N)(=O)=O)cc1 FC(F)(F)[*:1] C[C@H](OC[*:1])C(=O)NCc1ccc(cc1)S(N)(=O)=O
C[C@H](OCC(F)(F)F)C(=O)NCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](OCC(F)(F)F)C(=O)NCc1ccc(cc1)[*:1]
C[C@H](OCC(F)(F)F)C(=O)NCc1ccc(S(N)(=O)=O)cc1 FC(F)(F)CO[*:1] C[C@H](C(=O)NCc1ccc(cc1)S(N)(=O)=O)[*:1]
C[C@H](OCC(F)(F)F)C(=O)NCc1ccc(S(N)(=O)=O)cc1 FC(F)(F)C[*:1] C[C@H](O[*:1])C(=O)NCc1ccc(cc1)S(N)(=O)=O
CC(C)C[C@H](CO)[NH2+]C[C@@H]1CSc2ccccc21 CC(C)[*:1] OC[C@@H](C[*:1])[NH2+]C[C@@H]1CSc2ccccc21
CC(C)C[C@H](CO)[NH2+]C[C@@H]1CSc2ccccc21 CC(C)C[*:1] OC[C@H]([NH2+]C[C@@H]1CSc2ccccc21)[*:1]
CCC(CC)c1cc(C(=O)N[C@H](C#N)C(C)(C)C)on1 CCC(CC)[*:1] CC(C)(C)[C@@H](C#N)NC(=O)c1cc(no1)[*:1]
CCC(CC)c1cc(C(=O)N[C@H](C#N)C(C)(C)C)on1 CC(C)(C)[*:1] CCC(CC)c1cc(on1)C(=O)N[C@H](C#N)[*:1]
COc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCN(c2ccc(F)cc2)CC1 O=[N+]([O-])[*:1] COc1ccc(cc1NCC(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1]
COc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccc(cc1NCC(=O)N1CCN(CC1)[*:1])[N+](=O)[O-]
CC(C)CNC(=O)c1cccc(C[NH+]2CCOc3ccccc3C2)c1 CC(C)CNC(=O)[*:1] c1cc(cc(c1)[*:1])C[NH+]1CCOc2ccccc2C1
CC(C)CNC(=O)c1cccc(C[NH+]2CCOc3ccccc3C2)c1 CC(C)[*:1] O=C(NC[*:1])c1cccc(c1)C[NH+]1CCOc2ccccc2C1
CC(C)CNC(=O)c1cccc(C[NH+]2CCOc3ccccc3C2)c1 CC(C)C[*:1] O=C(N[*:1])c1cccc(c1)C[NH+]1CCOc2ccccc2C1
Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1C[*:1]
Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 Cc1ccccc1[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1
Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 Cc1ccccc1C(=O)N[*:1] C[C@@H](c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1)[*:1]
Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N[*:1]
CCc1nn(C)c2c1nc(N)n2[C@@H](C[NH+](C)C)C(C)C CC(C)[*:1] CCc1nn(C)c2c1nc(N)n2[C@@H](C[NH+](C)C)[*:1]
CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1Cl Clc1ccccc1O[*:1] CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)C[*:1]
CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1Cl Clc1ccccc1OC[*:1] CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)[*:1]
CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1Cl Clc1ccccc1[*:1] CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)CO[*:1]
CC[NH+](CC(=O)Nc1ccccc1)CC(=O)NC(C)C CC(C)NC(=O)[*:1] CC[NH+](CC(=O)Nc1ccccc1)C[*:1]
CC[NH+](CC(=O)Nc1ccccc1)CC(=O)NC(C)C CC(C)[*:1] CC[NH+](CC(=O)Nc1ccccc1)CC(=O)N[*:1]
CC[NH+](CC(=O)Nc1ccccc1)CC(=O)NC(C)C c1ccc(cc1)[*:1] CC[NH+](CC(=O)NC(C)C)CC(=O)N[*:1]
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N(C)Cc2ccccn2)cc1 c1ccc(C[*:1])nc1 C[C@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)N(C)[*:1]
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N(C)Cc2ccccn2)cc1 C[C@H]1CCCCN1C(=O)[*:1] CN(Cc1ccccn1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N(C)Cc2ccccn2)cc1 c1ccc(nc1)[*:1] C[C@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)N(C)C[*:1]
N#C[C@H](c1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccc3)CC2)nn1 c1ccc(cc1)[*:1] N#C[C@H](c1ccc(Cl)cc1)c1ccc(nn1)N1CCN(CC1)[*:1]
N#C[C@H](c1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccc3)CC2)nn1 Clc1ccc(cc1)[*:1] N#C[C@H](c1ccc(nn1)N1CCN(CC1)c1ccccc1)[*:1]
Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)Oc1ccccc1C#N FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)Oc1ccccc1C#N)[*:1]
Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)Oc1ccccc1C#N N#Cc1ccccc1[*:1] Cc1ccc(cc1NC(=O)[C@H](C)O[*:1])C(F)(F)F
OC1(CNc2ncc(C(F)(F)F)cc2Cl)CCSCC1 FC(F)(F)[*:1] OC1(CCSCC1)CNc1ncc(cc1Cl)[*:1]
C[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] C[C@H]([NH2+][C@H](C)c1ccc2OCCOc2c1)c1nc(cs1)[*:1]
Cc1ccc(N2CCCN(C(=O)c3cccn3C)CC2)nn1 Cn1cccc1[*:1] Cc1ccc(nn1)N1CCCN(CC1)C(=O)[*:1]
Cc1ccc(N2CCCN(C(=O)c3cccn3C)CC2)nn1 Cc1ccc(nn1)[*:1] Cn1cccc1C(=O)N1CCCN(CC1)[*:1]
C[C@H]1Oc2ccc(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2NC1=O Fc1ccc(cc1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)N1CCC[C@@H]1[*:1]
C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1nc2c(s1)CCCC2 Fc1ccc(cc1)[*:1] C[C@H](NC[C@@](C)(O)[*:1])c1nc2CCCCc2s1
CCN(C[C@H]1CCOC1)C(=O)Cc1csc(-c2nc[nH]n2)n1 C1C[C@@H](CO1)C[*:1] CCN(C(=O)Cc1csc(n1)-c1nc[nH]n1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)Cc1csc(-c2nc[nH]n2)n1 c1nc(n[nH]1)[*:1] CCN(C[C@H]1CCOC1)C(=O)Cc1csc(n1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)Cc1csc(-c2nc[nH]n2)n1 C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)Cc1csc(n1)-c1nc[nH]n1
C[C@@H](NC(=O)CN1CCN(Cc2[nH+]ccn2C)CC1)c1ccco1 C[C@@H](c1ccco1)[*:1] Cn1cc[nH+]c1CN1CCN(CC1)CC(=O)N[*:1]
C[C@@H](NC(=O)CN1CCN(Cc2[nH+]ccn2C)CC1)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)CN1CCN(CC1)Cc1[nH+]ccn1C)[*:1]
CCC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1cccc(C)c1 CCC[*:1] Cc1cccc(c1)S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)[*:1]
CCC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1cccc(C)c1 CCC[C@H](C)[*:1] Cc1cccc(c1)S(=O)(=O)[C@@H](C)C(=O)N[*:1]
S=c1[nH]nc(C2CC[NH2+]CC2)n1C1CC1 C1CC1[*:1] S=c1[nH]nc(C2CC[NH2+]CC2)n1[*:1]
C/C=C\C=C/C(=O)Nc1cc(OC)c(OC)cc1Br C/C=C\C=C[*:1] COc1cc(Br)c(cc1OC)NC(=O)[*:1]
C/C=C\C=C/C(=O)Nc1cc(OC)c(OC)cc1Br CC=C[*:1] COc1cc(Br)c(cc1OC)NC(=O)C=C[*:1]
COc1ccc(CN2C(=O)[C@](O)(CC(C)=O)c3ccccc32)cc1OC CC(=O)[*:1] COc1ccc(cc1OC)CN1C(=O)[C@](O)(C[*:1])c2ccccc21
COc1ccc(CN2C(=O)[C@](O)(CC(C)=O)c3ccccc32)cc1OC CC(=O)C[*:1] COc1ccc(cc1OC)CN1C(=O)[C@](O)(c2ccccc21)[*:1]
N#Cc1c(NCc2ccccc2)nc(-c2ccccn2)nc1-c1cccc(C(F)(F)F)c1 c1ccc(nc1)[*:1] N#Cc1c(nc(nc1-c1cccc(c1)C(F)(F)F)[*:1])NCc1ccccc1
N#Cc1c(NCc2ccccc2)nc(-c2ccccn2)nc1-c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] N#Cc1c(nc(nc1[*:1])-c1ccccn1)NCc1ccccc1
N#Cc1c(NCc2ccccc2)nc(-c2ccccn2)nc1-c1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] N#Cc1c(nc(nc1-c1cccc(c1)C(F)(F)F)-c1ccccn1)NC[*:1]
N#Cc1c(NCc2ccccc2)nc(-c2ccccn2)nc1-c1cccc(C(F)(F)F)c1 c1ccc(cc1)C[*:1] N#Cc1c(nc(nc1-c1cccc(c1)C(F)(F)F)-c1ccccn1)N[*:1]
N#Cc1c(NCc2ccccc2)nc(-c2ccccn2)nc1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1c(nc(nc1-c1cccc(c1)[*:1])-c1ccccn1)NCc1ccccc1
N#Cc1c(NCc2ccccc2)nc(-c2ccccn2)nc1-c1cccc(C(F)(F)F)c1 c1ccc(cc1)CN[*:1] N#Cc1c(nc(nc1[*:1])-c1ccccn1)-c1cccc(c1)C(F)(F)F
Cc1cc(CNC[C@H](O)C(F)(F)F)cc(C)c1F O[C@H](C(F)(F)F)[*:1] Cc1cc(cc(C)c1F)CNC[*:1]
Cc1cc(CNC[C@H](O)C(F)(F)F)cc(C)c1F FC(F)(F)[*:1] Cc1cc(cc(C)c1F)CNC[C@H](O)[*:1]
C=CCN1CCN(C2CCN(S(=O)(=O)c3ccccc3CC)CC2)C(=O)C1=O C=CC[*:1] CCc1ccccc1S(=O)(=O)N1CCC(CC1)N1CCN(C(=O)C1=O)[*:1]
C=CCN1CCN(C2CCN(S(=O)(=O)c3ccccc3CC)CC2)C(=O)C1=O CCc1ccccc1[*:1] C=CCN1CCN(C(=O)C1=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)n1ccc(CN(C)CC(C)(C)C[NH3+])n1 CC(C)(C[NH3+])[*:1] CC(C)n1ccc(CN(C)C[*:1])n1
CC(C)n1ccc(CN(C)CC(C)(C)C[NH3+])n1 CC(C)[*:1] CN(Cc1ccn(n1)[*:1])CC(C)(C)C[NH3+]
Cc1ccc(C[NH+](C)Cc2ccc(C(=O)[O-])cn2)o1 Cc1ccc(o1)[*:1] C[NH+](Cc1ccc(cn1)C(=O)[O-])C[*:1]
Cc1ccc(C[NH+](C)Cc2ccc(C(=O)[O-])cn2)o1 O=C([O-])[*:1] Cc1ccc(C[NH+](C)Cc2ccc(cn2)[*:1])o1
CC(C)c1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 CC(C)[*:1] C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(cc1)[*:1]
CNC(=O)NCC(=O)NC[C@H](c1cccnc1)C(C)C CC(C)[*:1] CNC(=O)NCC(=O)NC[C@H](c1cccnc1)[*:1]
CNC(=O)NCC(=O)NC[C@H](c1cccnc1)C(C)C CNC(=O)N[*:1] CC(C)[C@H](CNC(=O)C[*:1])c1cccnc1
CNC(=O)NCC(=O)NC[C@H](c1cccnc1)C(C)C CNC(=O)NC[*:1] CC(C)[C@H](CNC(=O)[*:1])c1cccnc1
CNC(=O)NCC(=O)NC[C@H](c1cccnc1)C(C)C c1cncc(c1)[*:1] CNC(=O)NCC(=O)NC[C@H](C(C)C)[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] O=C(NCc1ccc2OCOc2c1)c1ccc(cc1)[*:1]
Cc1ccn2c(NC3CCCCC3)c(-c3ccco3)[nH+]c2c1 C1CCC(CC1)[*:1] Cc1ccn2c(N[*:1])c([nH+]c2c1)-c1ccco1
Cc1ccn2c(NC3CCCCC3)c(-c3ccco3)[nH+]c2c1 C1CCC(CC1)N[*:1] Cc1ccn2c(c([nH+]c2c1)-c1ccco1)[*:1]
Cc1ccn2c(NC3CCCCC3)c(-c3ccco3)[nH+]c2c1 c1coc(c1)[*:1] Cc1ccn2c(NC3CCCCC3)c([nH+]c2c1)[*:1]
COc1ccc(C(=O)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C(=O)Nc1nc(cs1)[*:1]
COc1ccc(C(=O)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccc(F)cc1)C(=O)[*:1]
Cc1cnc(CNC(=O)N[C@@H]2CCC[C@@H]2CO)s1 Cc1cnc(s1)[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@@H]1CO
OCC[NH2+][C@@H]1CCOC2(CCSCC2)C1 OCC[*:1] C1C[C@H](CC2(CCSCC2)O1)[NH2+][*:1]
CSc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1 CSc1ccccc1[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
CSc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1 C1CCC(CC1)[*:1] CSc1ccccc1-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)[*:1])o1
CSc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1 CN(C1CCCCC1)S(=O)(=O)[*:1] CSc1ccccc1-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
O=C(/C=C/c1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(/C=C/c1nc2ccccc2s1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(/C=C/c1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(C=C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Cc1ccc(-n2nc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)ccc2=O)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)-n1nc(ccc1=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(-n2nc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)ccc2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(=O)n(n1)[*:1]
C[C@@H](/C([O-])=N/C(=N)Nc1nc2ccccc2s1)N1C(=O)c2ccccc2C1=O c1ccc2sc(nc2c1)[*:1] C[C@@H](/C([O-])=N/C(=N)N[*:1])N1C(=O)c2ccccc2C1=O
COC(=O)c1ccc(N2CCCC2)c(NC(=O)C[C@H]2C=CCC2)c1 C1CCN(C1)[*:1] COC(=O)c1ccc(c(c1)NC(=O)C[C@H]1C=CCC1)[*:1]
COC(=O)c1ccc(N2CCCC2)c(NC(=O)C[C@H]2C=CCC2)c1 COC(=O)[*:1] O=C(C[C@H]1C=CCC1)Nc1cc(ccc1N1CCCC1)[*:1]
CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 c1ccc(cc1)[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc2nccc(C(=O)N3CCC[C@@H](Cn4cc(C5CC5)nn4)C3)c2c1 c1c(nnn1C[*:1])C1CC1 Cc1ccc2nccc(C(=O)N3CCC[C@@H](C3)[*:1])c2c1
Cc1ccc2nccc(C(=O)N3CCC[C@@H](Cn4cc(C5CC5)nn4)C3)c2c1 c1c(nnn1[*:1])C1CC1 Cc1ccc2nccc(C(=O)N3CCC[C@H](C3)C[*:1])c2c1
Cc1ccc2nccc(C(=O)N3CCC[C@@H](Cn4cc(C5CC5)nn4)C3)c2c1 C1CC1[*:1] Cc1ccc2nccc(C(=O)N3CCC[C@H](C3)Cn3cc(nn3)[*:1])c2c1
C[C@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(cc1)[*:1]
CCCCC(=O)Nc1ccccc1C(=O)C(C)C CC(C)[*:1] CCCCC(=O)Nc1ccccc1C(=O)[*:1]
CCCCC(=O)Nc1ccccc1C(=O)C(C)C CCC[*:1] CC(C)C(=O)c1ccccc1NC(=O)C[*:1]
CCCCC(=O)Nc1ccccc1C(=O)C(C)C CC(C)C(=O)[*:1] CCCCC(=O)Nc1ccccc1[*:1]
CCCCC(=O)Nc1ccccc1C(=O)C(C)C CCCC[*:1] CC(C)C(=O)c1ccccc1NC(=O)[*:1]
C[C@H]([NH2+]CC1(CO)COC1)c1ccc(S(=O)(=O)N(C)C)cc1 OCC1(COC1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(cc1)S(=O)(=O)N(C)C
C[C@H]([NH2+]CC1(CO)COC1)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] C[C@H]([NH2+]CC1(CO)COC1)c1ccc(cc1)[*:1]
CCc1ccc(OC)c(S(=O)(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c1 c1cc(ccn1)[*:1] CCc1ccc(OC)c(c1)S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc[nH+]c1N1CCOCC1)N1C[C@H](O)C[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccc[nH+]c1N1CCOCC1)N1C[C@H](O)C[C@@H]1[*:1]
O=C(Nc1ccc[nH+]c1N1CCOCC1)N1C[C@H](O)C[C@H]1C1CCCCC1 C1CN(CCO1)[*:1] O=C(Nc1ccc[nH+]c1[*:1])N1C[C@H](O)C[C@H]1C1CCCCC1
CC[C@H](C)[C@@H](c1nc(C(C)C)no1)N1Cc2ccccc2C1=O CC(C)[*:1] CC[C@H](C)[C@@H](c1nc(no1)[*:1])N1Cc2ccccc2C1=O
CC[C@H](C)[C@@H](c1nc(C(C)C)no1)N1Cc2ccccc2C1=O CC[C@H](C)[*:1] CC(C)c1noc(n1)[C@@H](N1Cc2ccccc2C1=O)[*:1]
Cc1ccc(NC(=O)[C@H]2C(=S)[NH+]=C(N)[C@@H](C#N)[C@@H]2c2ccccc2)cc1 Cc1ccc(cc1)[*:1] N#C[C@@H]1C(N)=[NH+]C(=S)[C@H](C(=O)N[*:1])[C@H]1c1ccccc1
Cc1ccc(NC(=O)[C@H]2C(=S)[NH+]=C(N)[C@@H](C#N)[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H]1C(=S)[NH+]=C(N)[C@@H](C#N)[C@H]1[*:1]
C=CCn1c(SCC(=O)Nc2cccc(F)c2)nc2sccc2c1=O C=CC[*:1] O=C(CSc1nc2sccc2c(=O)n1[*:1])Nc1cccc(F)c1
C=CCn1c(SCC(=O)Nc2cccc(F)c2)nc2sccc2c1=O Fc1cccc(c1)[*:1] C=CCn1c(nc2sccc2c1=O)SCC(=O)N[*:1]
O=C(/C=C/c1ccccc1)NCc1cccc(NC(=O)C2CCCC2)c1 O=C(N[*:1])C1CCCC1 O=C(/C=C/c1ccccc1)NCc1cccc(c1)[*:1]
O=C(/C=C/c1ccccc1)NCc1cccc(NC(=O)C2CCCC2)c1 c1ccc(cc1)[*:1] O=C(C=C[*:1])NCc1cccc(c1)NC(=O)C1CCCC1
O=C(/C=C/c1ccccc1)NCc1cccc(NC(=O)C2CCCC2)c1 C(=C[*:1])c1ccccc1 O=C(Nc1cccc(c1)CNC(=O)[*:1])C1CCCC1
O=C(/C=C/c1ccccc1)NCc1cccc(NC(=O)C2CCCC2)c1 C1CCC(C1)[*:1] O=C(/C=C/c1ccccc1)NCc1cccc(c1)NC(=O)[*:1]
CCSc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)s1 CCS[*:1] O=C(Nc1nnc(s1)[*:1])c1cc(=O)c(co1)OCc1ccccc1
CCSc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)s1 c1ccc(cc1)[*:1] CCSc1nnc(NC(=O)c2cc(=O)c(co2)OC[*:1])s1
CCSc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)s1 CCSc1nnc(s1)[*:1] O=C(N[*:1])c1cc(=O)c(co1)OCc1ccccc1
CCSc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)s1 c1ccc(cc1)CO[*:1] CCSc1nnc(NC(=O)c2cc(=O)c(co2)[*:1])s1
CCSc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)s1 c1ccc(cc1)C[*:1] CCSc1nnc(NC(=O)c2cc(=O)c(co2)O[*:1])s1
COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccc(c1)O[*:1]
COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 COC(=O)[*:1] CC1Nc2[nH]c(=O)[nH]c(=O)c2[C@H](C=1[*:1])c1cccc(c1)Oc1ccccc1
COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccc(c1)[*:1]
CC[C@@H](C)[C@H](C(=O)NCC(=O)Nc1c(C)cccc1C)c1ccccc1 Cc1cccc(C)c1[*:1] CC[C@@H](C)[C@H](C(=O)NCC(=O)N[*:1])c1ccccc1
CC[C@@H](C)[C@H](C(=O)NCC(=O)Nc1c(C)cccc1C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@H](C(=O)NCC(=O)Nc1c(C)cccc1C)[*:1]
CC[C@@H](C)[C@H](C(=O)NCC(=O)Nc1c(C)cccc1C)c1ccccc1 CC[C@@H](C)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](c1ccccc1)[*:1]
O=C(Nc1ccccc1)O[C@@H]1c2cc(Cl)ccc2OC(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C(N[*:1])O[C@@H]1c2cc(Cl)ccc2OC(=O)N1c1ccccc1
O=C(Nc1ccccc1)O[C@@H]1c2cc(Cl)ccc2OC(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)O[C@@H]1c2cc(Cl)ccc2OC(=O)N1[*:1]
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(COC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccc(Cl)cc1
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)OCC(=O)[*:1]
CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(OC)cc23)[C@H]1c1ccc(OC)cc1 CCOC(=O)[*:1] COc1ccc(cc1)[C@H]1C(=C(N)Oc2c1c(=O)[nH]c1ccc(cc21)OC)[*:1]
CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(OC)cc23)[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccc(cc23)OC)[C@@H]1[*:1]
O=C([O-])c1n[nH]c2cc(Br)cc(Cl)c12 O=C([O-])[*:1] Clc1cc(Br)cc2[nH]nc(c12)[*:1]
CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)c1 CCCCC[*:1] Cc1nnc(s1)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(c1)O[*:1]
CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)c1 CCCCCO[*:1] Cc1nnc(s1)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(c1)[*:1]
CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)c1 CCC[*:1] Cc1nnc(s1)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(c1)OCC[*:1]
CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)c1 CCCC[*:1] Cc1nnc(s1)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(c1)OC[*:1]
CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)c1 Cc1nnc(s1)[*:1] CCCCCOc1cccc(c1)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
C[C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)C1 CN(C)C(=O)[*:1] C[C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(c2)[*:1])C1
CN(C)c1cccc(C[NH+](C)Cc2c[nH]nc2-c2ccccc2F)c1 CN(C)[*:1] C[NH+](Cc1cccc(c1)[*:1])Cc1c[nH]nc1-c1ccccc1F
CN(C)c1cccc(C[NH+](C)Cc2c[nH]nc2-c2ccccc2F)c1 Fc1ccccc1[*:1] CN(C)c1cccc(c1)C[NH+](C)Cc1c[nH]nc1[*:1]
CCOc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N[*:1]
CCOc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 CCO[*:1] O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 c1ccc2c(c[nH]c2c1)C[*:1] CCOc1ccc(cc1)NC(=O)CN1C(=O)N[C@H](C1=O)[*:1]
CCOc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 c1ccc2c(c[nH]c2c1)[*:1] CCOc1ccc(cc1)NC(=O)CN1C(=O)N[C@H](C[*:1])C1=O
CCn1c(CCC(=O)Nc2cc[nH]n2)nc2cc(S(=O)(=O)N(C)C)ccc21 O=C(Nc1cc[nH]n1)[*:1] CCn1c(CC[*:1])nc2cc(ccc21)S(=O)(=O)N(C)C
CCn1c(CCC(=O)Nc2cc[nH]n2)nc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] CCn1c(CCC(=O)Nc2cc[nH]n2)nc2cc(ccc21)[*:1]
CCn1c(CCC(=O)Nc2cc[nH]n2)nc2cc(S(=O)(=O)N(C)C)ccc21 c1cc(n[nH]1)[*:1] CCn1c(CCC(=O)N[*:1])nc2cc(ccc21)S(=O)(=O)N(C)C
CCn1c(CCC(=O)Nc2cc[nH]n2)nc2cc(S(=O)(=O)N(C)C)ccc21 O=C(C[*:1])Nc1cc[nH]n1 CCn1c(C[*:1])nc2cc(ccc21)S(=O)(=O)N(C)C
c1coc([C@H]2Nc3ccccc3[C@@H]3OCC[C@@H]23)c1 c1coc(c1)[*:1] c1ccc2c(c1)N[C@@H]([C@@H]1CCO[C@@H]21)[*:1]
CC(C)[NH+]1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 CC(C)[*:1] NC(=O)c1ccsc1NC(=O)CCN1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 NC(=O)[*:1] CC(C)[NH+]1CCN(CCC(=O)Nc2sccc2[*:1])CC1
CC(=O)Nc1ccc2c(CSc3nncn3C)cc(=O)oc2c1 Cn1cnnc1S[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)C[*:1]
CC(=O)Nc1ccc2c(CSc3nncn3C)cc(=O)oc2c1 CC(=O)N[*:1] Cn1cnnc1SCc1cc(=O)oc2cc(ccc12)[*:1]
CC(=O)Nc1ccc2c(CSc3nncn3C)cc(=O)oc2c1 Cn1cnnc1[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)CS[*:1]
CCO[C@@H](C)c1noc(CNC(=O)Nc2c[nH]nc2-c2ccccn2)n1 CCO[*:1] C[C@@H](c1noc(CNC(=O)Nc2c[nH]nc2-c2ccccn2)n1)[*:1]
CCO[C@@H](C)c1noc(CNC(=O)Nc2c[nH]nc2-c2ccccn2)n1 c1ccc(nc1)[*:1] CCO[C@@H](C)c1noc(CNC(=O)Nc2c[nH]nc2[*:1])n1
CCOC(CN[C@@H]1CCS(=O)(=O)C1)OCC CCO[*:1] CCOC(CN[C@@H]1CCS(=O)(=O)C1)[*:1]
O=C1[C@@H]2CS[C@H](c3ccccc3F)N2C(=O)N1c1ccc(Cl)cc1 Fc1ccccc1[*:1] O=C1[C@@H]2CS[C@H](N2C(=O)N1c1ccc(Cl)cc1)[*:1]
O=C1[C@@H]2CS[C@H](c3ccccc3F)N2C(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1[C@@H]2CS[C@H](c3ccccc3F)N2C(=O)N1[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCl CC(C)[*:1] C[C@@H]1CC[C@H]([C@@H](C1)OCCl)[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCl ClCO[*:1] CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[*:1]
C[NH+](C)CC(=O)NNC(=O)c1cc2ccccc2n1Cc1ccccc1F Fc1ccccc1[*:1] C[NH+](C)CC(=O)NNC(=O)c1cc2ccccc2n1C[*:1]
C[NH+](C)CC(=O)NNC(=O)c1cc2ccccc2n1Cc1ccccc1F Fc1ccccc1C[*:1] C[NH+](C)CC(=O)NNC(=O)c1cc2ccccc2n1[*:1]
C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1cccc(C#N)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1c[nH]nc1[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)[*:1]
CCC[NH2+][C@H](CCC)c1cc(C)cc(F)c1 CCC[*:1] CCC[NH2+][C@H](c1cc(C)cc(F)c1)[*:1]
CCC[NH2+][C@H](CCC)c1cc(C)cc(F)c1 CCC[*:1] CCC[C@@H]([NH2+][*:1])c1cc(C)cc(F)c1
C=CCNC(=S)NNC(=O)c1cnc(-c2cnn(C)c2)s1 C=CC[*:1] Cn1cc(cn1)-c1ncc(s1)C(=O)NNC(=S)N[*:1]
C=CCNC(=S)NNC(=O)c1cnc(-c2cnn(C)c2)s1 Cn1cc(cn1)[*:1] C=CCNC(=S)NNC(=O)c1cnc(s1)[*:1]
COC(=O)[C@H](c1ccccc1F)N1CCN(C(=O)C2CCCC2)CC1 Fc1ccccc1[*:1] COC(=O)[C@H](N1CCN(CC1)C(=O)C1CCCC1)[*:1]
COC(=O)[C@H](c1ccccc1F)N1CCN(C(=O)C2CCCC2)CC1 COC(=O)[*:1] O=C(C1CCCC1)N1CCN(CC1)[C@@H](c1ccccc1F)[*:1]
COC(=O)[C@H](c1ccccc1F)N1CCN(C(=O)C2CCCC2)CC1 C1CCC(C1)[*:1] COC(=O)[C@H](c1ccccc1F)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(CN2C(=O)CSc3ccc(C(=O)N4CCC5(CC4)OCCO5)cc32)c1 Cc1cccc(c1)[*:1] O=C(c1ccc2SCC(=O)N(C[*:1])c2c1)N1CCC2(CC1)OCCO2
Cc1cccc(CN2C(=O)CSc3ccc(C(=O)N4CCC5(CC4)OCCO5)cc32)c1 Cc1cccc(c1)C[*:1] O=C(c1ccc2SCC(=O)N(c2c1)[*:1])N1CCC2(CC1)OCCO2
CCO[C@@H]1CCCN(C(=O)Nc2cnn(-c3ccccc3F)c2)C1 CCO[*:1] O=C(Nc1cnn(c1)-c1ccccc1F)N1CCC[C@H](C1)[*:1]
CCO[C@@H]1CCCN(C(=O)Nc2cnn(-c3ccccc3F)c2)C1 Fc1ccccc1[*:1] CCO[C@@H]1CCCN(C1)C(=O)Nc1cnn(c1)[*:1]
CC(=O)c1ccc(NC(=O)c2cc3occc3n2C)cc1 CC(=O)[*:1] Cn1c(cc2occc21)C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)CC[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 COc1ccc(cc1)[*:1] CNC(=O)CC[NH+]1CCN(CC1)Cc1nc(no1)[*:1]
CNC(=O)CC[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 CNC(=O)C[*:1] COc1ccc(cc1)-c1noc(CN2CC[NH+](CC2)C[*:1])n1
CNC(=O)CC[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 CNC(=O)[*:1] COc1ccc(cc1)-c1noc(CN2CC[NH+](CC2)CC[*:1])n1
Cc1ccc(NC(=O)CSCc2cccc(Cl)c2)c(O)c1 Clc1cccc(c1)[*:1] Cc1ccc(NC(=O)CSC[*:1])c(O)c1
CC(C)c1cc(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)on1 CC(C)[*:1] Cn1ccnc1[C@@](O)(CCNC(=O)c1cc(no1)[*:1])C(F)(F)F
CC(C)c1cc(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)on1 FC(F)(F)[*:1] CC(C)c1cc(on1)C(=O)NCC[C@](O)(c1nccn1C)[*:1]
CC(C)c1cc(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)on1 Cn1ccnc1[*:1] CC(C)c1cc(on1)C(=O)NCC[C@](O)(C(F)(F)F)[*:1]
CC(C)c1cc(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)on1 CC(C)c1cc(on1)[*:1] Cn1ccnc1[C@@](O)(CCNC(=O)[*:1])C(F)(F)F
CCO[C@@H]1CCCN(C(=O)Nc2c(C)nn(CC)c2C)C1 CCO[*:1] CCn1nc(C)c(NC(=O)N2CCC[C@H](C2)[*:1])c1C
CNC(=O)Cc1ccccc1NC(=O)NCc1ccccc1CO OCc1ccccc1[*:1] CNC(=O)Cc1ccccc1NC(=O)NC[*:1]
CNC(=O)Cc1ccccc1NC(=O)NCc1ccccc1CO CNC(=O)[*:1] O=C(NCc1ccccc1CO)Nc1ccccc1C[*:1]
CNC(=O)Cc1ccccc1NC(=O)NCc1ccccc1CO CNC(=O)C[*:1] O=C(NCc1ccccc1CO)Nc1ccccc1[*:1]
C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cnc([C@@H]4CCCO4)s3)CC2)S1 C1CO[C@@H](C1)[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)c1cnc(s1)[*:1]
CCCCc1ccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 CCCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc1N(CCn12)c1ccc(cc1)[*:1]
CCCCc1ccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 CCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc1N(CCn12)c1ccc(cc1)C[*:1]
COCCCNC(=O)CSc1ccc(F)cc1N COC[*:1] Nc1cc(F)ccc1SCC(=O)NCC[*:1]
COCCCNC(=O)CSc1ccc(F)cc1N COCCC[*:1] Nc1cc(F)ccc1SCC(=O)N[*:1]
COCCCNC(=O)CSc1ccc(F)cc1N COCC[*:1] Nc1cc(F)ccc1SCC(=O)NC[*:1]
Cc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)Cn1cnc(n1)[*:1]
CC[C@@H](C(=O)NC1=NN2C(=NC(=O)C[C@H]2c2ccccc2)[N-]1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)NC1=NN2C(=NC(=O)C[C@@H]2[*:1])[N-]1)c1ccccc1
CC[C@@H](C(=O)NC1=NN2C(=NC(=O)C[C@H]2c2ccccc2)[N-]1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)NC1=NN2C(=NC(=O)C[C@H]2c2ccccc2)[N-]1)[*:1]
CC[C@@H](C(=O)NC1=NN2C(=NC(=O)C[C@H]2c2ccccc2)[N-]1)c1ccccc1 CC[C@@H](c1ccccc1)[*:1] O=C1C[C@@H](c2ccccc2)N2N=C([N-]C2=N1)NC(=O)[*:1]
O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N(CCO)Cc1ccccc1 OCC[*:1] O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N(Cc1ccccc1)[*:1]
O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N(CCO)C[*:1]
O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N(CCO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N(CCO)[*:1]
O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N(CCO)Cc1ccccc1 Fc1cccc(c1)[*:1] O=C([C@@H]1C[C@H]1[*:1])N(CCO)Cc1ccccc1
C=CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)cnn2c1C C=CCOC(=O)[*:1] Cc1c(nnc2c(cnn12)-c1ccc(Br)cc1)[*:1]
C=CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)cnn2c1C C=CC[*:1] Cc1c(nnc2c(cnn12)-c1ccc(Br)cc1)C(=O)O[*:1]
C=CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)cnn2c1C Brc1ccc(cc1)[*:1] C=CCOC(=O)c1nnc2c(cnn2c1C)[*:1]
COCc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)ncn1 COCc1cc(ncn1)[*:1] Cc1ccccc1[C@H](NC(=O)C(=O)N[*:1])C(C)(C)C
COCc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)ncn1 Cc1ccccc1[*:1] COCc1cc(ncn1)NC(=O)C(=O)N[C@@H](C(C)(C)C)[*:1]
COCc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)ncn1 CC(C)(C)[*:1] COCc1cc(ncn1)NC(=O)C(=O)N[C@@H](c1ccccc1C)[*:1]
COCc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)ncn1 COC[*:1] Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cc(ncn1)[*:1])C(C)(C)C
CCC(CC)C[NH2+][C@H](C)[C@@H]1CN(C)CCO1 CCC(CC)[*:1] C[C@@H]([NH2+]C[*:1])[C@@H]1CN(C)CCO1
C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1cccc(c1)[N+](=O)[O-])[C@H]([NH+]1CCCC1)[*:1]
C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCCC1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H](NC(=O)N[*:1])[C@H](c1ccccc1)[NH+]1CCCC1
C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCCC1 O=[N+]([O-])[*:1] C[C@H](NC(=O)Nc1cccc(c1)[*:1])[C@H](c1ccccc1)[NH+]1CCCC1
O=C1NC[C@@]2(CCCN(C(=O)Cc3ccc(Cl)cc3)C2)Oc2ccccc21 Clc1ccc(cc1)C[*:1] O=C1NC[C@@]2(CCCN(C2)C(=O)[*:1])Oc2ccccc21
O=C1NC[C@@]2(CCCN(C(=O)Cc3ccc(Cl)cc3)C2)Oc2ccccc21 Clc1ccc(cc1)[*:1] O=C1NC[C@@]2(CCCN(C2)C(=O)C[*:1])Oc2ccccc21
Cc1cc(C)c(NNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c(C)c1 C1CC1C[*:1] Cc1cc(C)c(NNC(=O)[C@H]2CC(=O)N(C2)[*:1])c(C)c1
Cc1cc(C)c(NNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c(C)c1 C1CC1[*:1] Cc1cc(C)c(NNC(=O)[C@H]2CC(=O)N(C2)C[*:1])c(C)c1
Cc1ccc(NC(=O)Cn2cnc3sc(C(=O)N4C[C@@H](C)C[C@@H](C)C4)c(C)c3c2=O)cc1Cl Cc1ccc(cc1Cl)NC(=O)[*:1] Cc1c(sc2ncn(C[*:1])c(=O)c12)C(=O)N1C[C@@H](C)C[C@@H](C)C1
Cc1ccc(NC(=O)Cn2cnc3sc(C(=O)N4C[C@@H](C)C[C@@H](C)C4)c(C)c3c2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1c(sc2ncn(CC(=O)N[*:1])c(=O)c12)C(=O)N1C[C@@H](C)C[C@@H](C)C1
CCN1CCO[C@H](c2noc(-c3n[nH]c(N)n3)n2)C1 Nc1nc(n[nH]1)[*:1] CCN1CCO[C@@H](C1)c1noc(n1)[*:1]
CO/N=C(/Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CO/N=C(/Cn1ncc(Cl)c(Cl)c1=O)[*:1]
CCc1nc(CNc2cccc(COc3ccccc3)c2C)no1 c1ccc(cc1)[*:1] CCc1nc(CNc2cccc(CO[*:1])c2C)no1
CCc1nc(CNc2cccc(COc3ccccc3)c2C)no1 c1ccc(cc1)O[*:1] CCc1nc(CNc2cccc(C[*:1])c2C)no1
CCc1nc(CNc2cccc(COc3ccccc3)c2C)no1 c1ccc(cc1)OC[*:1] CCc1nc(CNc2cccc(c2C)[*:1])no1
CCc1nc(CNc2cccc(COc3ccccc3)c2C)no1 CCc1nc(C[*:1])no1 Cc1c(cccc1N[*:1])COc1ccccc1
CCc1nc(CNc2cccc(COc3ccccc3)c2C)no1 CCc1nc(no1)[*:1] Cc1c(cccc1NC[*:1])COc1ccccc1
O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)OCc1ccccc1)[*:1]
O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)OC[*:1])c1ccccc1
O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 c1ccc(cc1)C[*:1] O=S(=O)(Nc1ccc(cc1)O[*:1])c1ccccc1
O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 c1ccc(cc1)CO[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccccc1
C[C@H](NC(=O)NCc1cnn(-c2ccccc2)c1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(NCc1cnn(c1)-c1ccccc1)N[*:1]
C[C@H](NC(=O)NCc1cnn(-c2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCc1cnn(c1)-c1ccccc1)[*:1]
C[C@H](NC(=O)NCc1cnn(-c2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCc1cnn(c1)[*:1])c1ccccc1
CC(=O)CCC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 CC(=O)[*:1] O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
CC(=O)CCC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 c1ccc(cc1)[*:1] CC(=O)CCC(=O)N1CCC[C@H](C1)C(=O)c1ccc(c(F)c1)[*:1]
CC(=O)CCC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 CC(=O)CC[*:1] O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(=O)CCC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 CC(=O)C[*:1] O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C1)C(=O)C[*:1]
COc1cc(CNC(=O)NCc2nc(C)cs2)c2ccccc2n1 Cc1csc(n1)[*:1] COc1cc(CNC(=O)NC[*:1])c2ccccc2n1
COc1cc(CNC(=O)NCc2nc(C)cs2)c2ccccc2n1 Cc1csc(C[*:1])n1 COc1cc(CNC(=O)N[*:1])c2ccccc2n1
C[C@H]1CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(C)(C)CO1 CC(C)(C)[*:1] C[C@H]1CN(C(=O)[C@@H](C)NC(=O)O[*:1])C(C)(C)CO1
Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)on3)C2)no1 CC(C)(C)[*:1] Cc1nc(no1)[C@@H]1CCCN(C1)C(=O)c1cc(on1)[*:1]
Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)on3)C2)no1 Cc1nc(no1)[*:1] CC(C)(C)c1cc(no1)C(=O)N1CCC[C@H](C1)[*:1]
COc1cccc(C(=O)CC#N)c1 N#CC[*:1] COc1cccc(c1)C(=O)[*:1]
Cc1cccc(C[NH+](C)CCN)c1 NCC[*:1] Cc1cccc(c1)C[NH+](C)[*:1]
C=CCN(C)C(=O)c1cccc(-c2ccc(O)cc2)c1 C=CC[*:1] CN(C(=O)c1cccc(c1)-c1ccc(O)cc1)[*:1]
COc1ccccc1Oc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)o1 COc1ccccc1[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1ccc(O[*:1])o1
COc1ccc(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c(C)c1 C1CCN(C1)[*:1] COc1ccc(C(=O)N[C@@H](C)c2cccc(c2)[*:1])c(C)c1
N#CCc1ccc(OCC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 c1ncn(n1)[*:1] N#CCc1ccc(cc1)OCC(=O)N1CCC[C@@H](C1)[*:1]
N#CCc1ccc(OCC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 N#CC[*:1] O=C(COc1ccc(cc1)[*:1])N1CCC[C@H](C1)n1cncn1
CCC[C@H](NC(=O)C1(c2ccc(F)cc2F)CCOCC1)C(=O)OC Fc1ccc(c(F)c1)[*:1] CCC[C@H](NC(=O)C1(CCOCC1)[*:1])C(=O)OC
CCC[C@H](NC(=O)C1(c2ccc(F)cc2F)CCOCC1)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)C1(CCOCC1)c1ccc(F)cc1F)[*:1]
CCC[C@H](NC(=O)C1(c2ccc(F)cc2F)CCOCC1)C(=O)OC CCC[C@H](C(=O)OC)[*:1] O=C(N[*:1])C1(CCOCC1)c1ccc(F)cc1F
CCC[C@H](NC(=O)C1(c2ccc(F)cc2F)CCOCC1)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)C1(CCOCC1)c1ccc(F)cc1F)[*:1]
C[C@H]1Oc2c(ccc(Cl)c2Cl)[C@@H]1NCc1nncn1C1CC1 C1CC1[*:1] C[C@H]1Oc2c(ccc(Cl)c2Cl)[C@@H]1NCc1nncn1[*:1]
C[C@H](CC(N)=O)[NH2+][C@H]1CCCN(c2ccccc2F)C1 NC(=O)C[*:1] C[C@H]([NH2+][C@H]1CCCN(C1)c1ccccc1F)[*:1]
C[C@H](CC(N)=O)[NH2+][C@H]1CCCN(c2ccccc2F)C1 NC(=O)[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCCN(C1)c1ccccc1F
O=C(Nc1ccc(I)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 Ic1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)[C@H]1CCCO1
O=C(Nc1ccc(I)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 O=C(N[*:1])[C@H]1CCCO1 O=C(Nc1ccc(I)cc1)c1cccc(c1)[*:1]
Cc1ccc(C(C)C)cc1OCC[C@@H]1CCC[C@@H]1O CC(C)[*:1] Cc1ccc(cc1OCC[C@@H]1CCC[C@@H]1O)[*:1]
C[C@H](c1ccncc1)[C@H](O)CCCc1cccs1 c1cc(ccn1)[*:1] C[C@H]([C@H](O)CCCc1cccs1)[*:1]
C[C@H](c1ccncc1)[C@H](O)CCCc1cccs1 c1csc(c1)[*:1] C[C@H](c1ccncc1)[C@H](O)CCC[*:1]
C[C@H](c1ccncc1)[C@H](O)CCCc1cccs1 c1csc(c1)C[*:1] C[C@H](c1ccncc1)[C@H](O)CC[*:1]
COCCN(CCC#N)Cc1cc(=O)n2cc(Cl)ccc2n1 N#CCC[*:1] COCCN(Cc1cc(=O)n2cc(Cl)ccc2n1)[*:1]
COCCN(CCC#N)Cc1cc(=O)n2cc(Cl)ccc2n1 COC[*:1] N#CCCN(Cc1cc(=O)n2cc(Cl)ccc2n1)C[*:1]
COCCN(CCC#N)Cc1cc(=O)n2cc(Cl)ccc2n1 N#CC[*:1] COCCN(Cc1cc(=O)n2cc(Cl)ccc2n1)C[*:1]
COCCN(CCC#N)Cc1cc(=O)n2cc(Cl)ccc2n1 COCC[*:1] N#CCCN(Cc1cc(=O)n2cc(Cl)ccc2n1)[*:1]
CCCc1c(C(=O)Nc2ccc3c(c2)COC3)[nH]c(C)c1C(=O)OC COC(=O)[*:1] CCCc1c([nH]c(C)c1[*:1])C(=O)Nc1ccc2COCc2c1
CCCc1c(C(=O)Nc2ccc3c(c2)COC3)[nH]c(C)c1C(=O)OC CCC[*:1] COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3COCc3c2)c1[*:1]
O=[N+]([O-])c1c(Br)cccc1N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=[N+]([O-])c1c(Br)cccc1N1CCN(CC1)[*:1]
O=[N+]([O-])c1c(Br)cccc1N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=[N+]([O-])c1c(Br)cccc1N1CCN(CC1)C[*:1]
O=[N+]([O-])c1c(Br)cccc1N1CCN(Cc2ccccc2)CC1 O=[N+]([O-])[*:1] Brc1cccc(c1[*:1])N1CCN(CC1)Cc1ccccc1
O=C(Cc1ccccc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 c1ccc(cc1)[*:1] O=C(C[*:1])/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1
O=C(Cc1ccccc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 c1ccc(cc1)C[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1)[*:1]
O=C(Cc1ccccc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cc1ccccc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CCC[NH+](Cc1ccc([N+](=O)[O-])c(O)c1)C1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC[NH+](Cc1ccc(c(O)c1)[N+](=O)[O-])C1CCN(CC1)C(=O)[*:1]
CCC[NH+](Cc1ccc([N+](=O)[O-])c(O)c1)C1CCN(C(=O)c2ccccc2)CC1 O=[N+]([O-])[*:1] CCC[NH+](Cc1ccc(c(O)c1)[*:1])C1CCN(CC1)C(=O)c1ccccc1
CC[NH+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] CC(=O)[*:1] CC[NH+](C)Cc1cc(Cl)cc(c1[O-])[*:1]
COC(=O)Cn1/c(=N\C(=O)CCS(=O)(=O)c2ccccc2)sc2ccc(Cl)c(C)c21 O=S(=O)(c1ccccc1)[*:1] COC(=O)Cn1/c(=N\C(=O)CC[*:1])sc2ccc(Cl)c(C)c21
COC(=O)Cn1/c(=N\C(=O)CCS(=O)(=O)c2ccccc2)sc2ccc(Cl)c(C)c21 c1ccc(cc1)[*:1] COC(=O)Cn1/c(=N\C(=O)CCS(=O)(=O)[*:1])sc2ccc(Cl)c(C)c21
COC(=O)Cn1/c(=N\C(=O)CCS(=O)(=O)c2ccccc2)sc2ccc(Cl)c(C)c21 COC(=O)C[*:1] Cc1c(Cl)ccc2s/c(=N/C(=O)CCS(=O)(=O)c3ccccc3)n(c12)[*:1]
COC(=O)Cn1/c(=N\C(=O)CCS(=O)(=O)c2ccccc2)sc2ccc(Cl)c(C)c21 COC(=O)[*:1] Cc1c(Cl)ccc2s/c(=N/C(=O)CCS(=O)(=O)c3ccccc3)n(C[*:1])c12
COC(=O)Cn1/c(=N\C(=O)CCS(=O)(=O)c2ccccc2)sc2ccc(Cl)c(C)c21 O=S(=O)(C[*:1])c1ccccc1 COC(=O)Cn1/c(=N\C(=O)C[*:1])sc2ccc(Cl)c(C)c21
COc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1Cl)-n1nc(ccc1=O)S[C@H](C)C(=O)N[*:1]
COc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1OC Cc1ccc(cc1Cl)[*:1] COc1ccc(cc1OC)NC(=O)[C@@H](C)Sc1ccc(=O)n(n1)[*:1]
O=C(c1cc2c(s1)CCCCC2)N(Cc1cccnc1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(c1cc2CCCCCc2s1)N(Cc1cccnc1)[*:1]
O=C(c1cc2c(s1)CCCCC2)N(Cc1cccnc1)C[C@H]1CCCO1 c1cncc(c1)C[*:1] O=C(c1cc2CCCCCc2s1)N(C[C@H]1CCCO1)[*:1]
O=C(c1cc2c(s1)CCCCC2)N(Cc1cccnc1)C[C@H]1CCCO1 c1cncc(c1)[*:1] O=C(c1cc2CCCCCc2s1)N(C[C@H]1CCCO1)C[*:1]
O=C(Nc1ccc(CN2CCOCC2)cc1)[C@H]1C[C@H]2CC[C@@H]1C2 C1CN(CCO1)C[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
O=C(Nc1ccc(CN2CCOCC2)cc1)[C@H]1C[C@H]2CC[C@@H]1C2 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
Cc1cccc(NC(=O)C[NH+]2CCN(C(=O)/C=C/c3cn(Cc4ccccc4)nn3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)/C=C/c1cn(Cc2ccccc2)nn1)N[*:1]
Cc1cccc(NC(=O)C[NH+]2CCN(C(=O)/C=C/c3cn(Cc4ccccc4)nn3)CC2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/c2cn(C[*:1])nn2)c1C
Cc1cccc(NC(=O)C[NH+]2CCN(C(=O)/C=C/c3cn(Cc4ccccc4)nn3)CC2)c1C Cc1cccc(NC(=O)[*:1])c1C O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CC[NH+](CC1)C[*:1]
Cc1cccc(NC(=O)C[NH+]2CCN(C(=O)/C=C/c3cn(Cc4ccccc4)nn3)CC2)c1C c1ccc(cc1)C[*:1] Cc1cccc(NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/c2cn(nn2)[*:1])c1C
Cc1cccc(CCNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1 Cn1cc(cn1)[*:1] Cc1cccc(c1)CCNC(=O)N[C@H]1CCN(C1=O)[*:1]
Cc1cccc(CCNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1 Cc1cccc(c1)[*:1] Cn1cc(cn1)N1CC[C@H](NC(=O)NCC[*:1])C1=O
Cc1cccc(CCNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1 Cc1cccc(c1)C[*:1] Cn1cc(cn1)N1CC[C@H](NC(=O)NC[*:1])C1=O
COC(=O)CCn1nc(C)c(CN2CCC[NH+](C3CCOCC3)CC2)c1C COC(=O)[*:1] Cc1nn(CC[*:1])c(C)c1CN1CCC[NH+](CC1)C1CCOCC1
COC(=O)CCn1nc(C)c(CN2CCC[NH+](C3CCOCC3)CC2)c1C COC(=O)C[*:1] Cc1nn(C[*:1])c(C)c1CN1CCC[NH+](CC1)C1CCOCC1
COC(=O)CCn1nc(C)c(CN2CCC[NH+](C3CCOCC3)CC2)c1C COC(=O)CC[*:1] Cc1nn(c(C)c1CN1CCC[NH+](CC1)C1CCOCC1)[*:1]
CC[C@H](C)NC(=O)C[S@@](=O)Cc1nc(-c2ccccc2F)oc1C CC[C@H](C)NC(=O)[*:1] Cc1oc(nc1C[S@](=O)C[*:1])-c1ccccc1F
CC[C@H](C)NC(=O)C[S@@](=O)Cc1nc(-c2ccccc2F)oc1C CC[C@H](C)[*:1] Cc1oc(nc1C[S@](=O)CC(=O)N[*:1])-c1ccccc1F
CC[C@H](C)NC(=O)C[S@@](=O)Cc1nc(-c2ccccc2F)oc1C CC[C@H](C)NC(=O)C[*:1] Cc1oc(nc1C[S@](=O)[*:1])-c1ccccc1F
CC[C@H](C)NC(=O)C[S@@](=O)Cc1nc(-c2ccccc2F)oc1C Fc1ccccc1[*:1] CC[C@H](C)NC(=O)C[S@@](=O)Cc1nc(oc1C)[*:1]
Cc1c([O-])[nH+]c(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)[nH]c1=O CC(C)[*:1] Cc1c([O-])[nH+]c(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(cc2)[*:1])[nH]c1=O
COC(=O)Cc1ccc(CN(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)s1 COC(=O)C[*:1] CN(Cc1ccc(s1)[*:1])[C@H]1CCC[C@@H]1S(C)(=O)=O
COC(=O)Cc1ccc(CN(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)s1 COC(=O)[*:1] CN(Cc1ccc(C[*:1])s1)[C@H]1CCC[C@@H]1S(C)(=O)=O
COC(=O)Cc1ccc(CN(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)s1 CS(=O)(=O)[*:1] COC(=O)Cc1ccc(CN(C)[C@H]2CCC[C@H]2[*:1])s1
O=C(CSc1nc2ncccc2[nH]1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CSc1nc2ncccc2[nH]1)NC[*:1]
O=C(Cc1coc(-c2ccccc2)n1)Nc1cccc(C(=O)NC2CC2)c1 c1ccc(cc1)[*:1] O=C(Cc1coc(n1)[*:1])Nc1cccc(c1)C(=O)NC1CC1
O=C(Cc1coc(-c2ccccc2)n1)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(Cc1coc(n1)-c1ccccc1)Nc1cccc(c1)C(=O)N[*:1]
O=C(Cc1coc(-c2ccccc2)n1)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(Cc1coc(n1)-c1ccccc1)Nc1cccc(c1)[*:1]
Cc1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(-n4cnnc4)nc3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc(nc1)-n1cnnc1)N1CCC[C@@H](CO[*:1])C1
Cc1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(-n4cnnc4)nc3)C2)cc1 Cc1ccc(cc1)OC[*:1] O=C(c1ccc(nc1)-n1cnnc1)N1CCC[C@H](C1)[*:1]
Cc1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(-n4cnnc4)nc3)C2)cc1 c1nncn1[*:1] Cc1ccc(cc1)OC[C@@H]1CCCN(C1)C(=O)c1ccc(nc1)[*:1]
Cc1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(-n4cnnc4)nc3)C2)cc1 Cc1ccc(cc1)O[*:1] O=C(c1ccc(nc1)-n1cnnc1)N1CCC[C@H](C1)C[*:1]
COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)CC1=O C[C@H]1CCCC[C@@H]1[*:1] COc1ccc(C)cc1N1C[C@@H](CC1=O)C(=O)N[*:1]
CCC[NH+]1Cc2cccc(NC(=O)COc3cccc(C(C)=O)c3)c2C1 CC(=O)[*:1] CCC[NH+]1Cc2cccc(NC(=O)COc3cccc(c3)[*:1])c2C1
CCO[C@@H]1C[C@H](N(C)C(=O)CSc2nnnn2C)C12CCC2 Cn1nnnc1[*:1] CCO[C@@H]1C[C@H](N(C)C(=O)CS[*:1])C12CCC2
CCO[C@@H]1C[C@H](N(C)C(=O)CSc2nnnn2C)C12CCC2 Cn1nnnc1S[*:1] CCO[C@@H]1C[C@H](N(C)C(=O)C[*:1])C12CCC2
CCO[C@@H]1C[C@H](N(C)C(=O)CSc2nnnn2C)C12CCC2 CCO[*:1] CN(C(=O)CSc1nnnn1C)[C@H]1C[C@H](C12CCC2)[*:1]
CC[NH2+][C@@H](C)c1cc(F)c(C)cc1O[C@H](C)COC COC[*:1] CC[NH2+][C@@H](C)c1cc(F)c(C)cc1O[C@H](C)[*:1]
CC[NH2+][C@@H](C)c1cc(F)c(C)cc1O[C@H](C)COC COC[C@@H](C)[*:1] CC[NH2+][C@@H](C)c1cc(F)c(C)cc1O[*:1]
CC[NH2+][C@@H](C)c1cc(F)c(C)cc1O[C@H](C)COC COC[C@@H](C)O[*:1] CC[NH2+][C@@H](C)c1cc(F)c(C)cc1[*:1]
C#CCNC(=O)N1CCC(Oc2ccccc2OCC)CC1 C#CC[*:1] CCOc1ccccc1OC1CCN(CC1)C(=O)N[*:1]
C#CCNC(=O)N1CCC(Oc2ccccc2OCC)CC1 CCO[*:1] C#CCNC(=O)N1CCC(CC1)Oc1ccccc1[*:1]
Cc1cc(=O)[nH]c([C@H](C)Sc2nncn2Cc2ccco2)n1 c1coc(c1)C[*:1] Cc1cc(=O)[nH]c(n1)[C@H](C)Sc1nncn1[*:1]
Cc1cc(=O)[nH]c([C@H](C)Sc2nncn2Cc2ccco2)n1 c1coc(c1)[*:1] Cc1cc(=O)[nH]c(n1)[C@H](C)Sc1nncn1C[*:1]
COCCn1nc(C)c(NC(=O)N2CCS[C@@H](C)[C@H]2C)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)N1CCS[C@@H](C)[C@H]1C)[*:1]
COCCn1nc(C)c(NC(=O)N2CCS[C@@H](C)[C@H]2C)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)N1CCS[C@@H](C)[C@H]1C
Cc1ccc(OCC(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)cc1 Cn1cc(cn1)[*:1] Cc1ccc(cc1)OCC(=O)N1CCC[NH+](CC1)C[*:1]
Cc1ccc(OCC(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)cc1 Cc1ccc(cc1)[*:1] Cn1cc(cn1)C[NH+]1CCCN(CC1)C(=O)CO[*:1]
Cc1ccc(OCC(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)cc1 Cc1ccc(cc1)O[*:1] Cn1cc(cn1)C[NH+]1CCCN(CC1)C(=O)C[*:1]
CC(C)[C@@H](CO)NC(=O)Cc1c(F)cccc1F CC(C)[*:1] O=C(Cc1c(F)cccc1F)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)Cc1c(F)cccc1F CC(C)[C@@H](CO)[*:1] O=C(Cc1c(F)cccc1F)N[*:1]
CC(C)(C)[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NCc1cc(Cl)c2OCCCOc2c1)[*:1]
CC(C)(C)[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NCc1cc(Cl)c2OCCCOc2c1)[*:1]
CCn1ccc(C(=O)Nc2nnc(-c3cc(C)oc3C)o2)n1 CCn1ccc(n1)[*:1] Cc1cc(-c2nnc(NC(=O)[*:1])o2)c(C)o1
CCn1ccc(C(=O)Nc2nnc(-c3cc(C)oc3C)o2)n1 Cc1cc(c(C)o1)[*:1] CCn1ccc(n1)C(=O)Nc1nnc(o1)[*:1]
COc1ccc([C@H](CC(=O)[O-])NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@H](CC(=O)[O-])[*:1]
COc1ccc([C@H](CC(=O)[O-])NC(C)=O)cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@H](C[*:1])NC(C)=O
COc1ccc([C@H](CC(=O)[O-])NC(C)=O)cc1 O=C([O-])C[*:1] COc1ccc(cc1)[C@H](NC(C)=O)[*:1]
CC(=O)c1ccc(N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)nc1 C1CC(C1)[*:1] CC(=O)c1ccc(nc1)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
CC(=O)c1ccc(N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)nc1 C1CC(C1)C[*:1] CC(=O)c1ccc(nc1)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
CC(=O)c1ccc(N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)nc1 CC(=O)[*:1] O=C1[C@H]2CC[C@H](CN(C2)c2ccc(cn2)[*:1])N1CC1CCC1
CO[C@H]1CCCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 c1ccc(cc1)CO[*:1] CO[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
CO[C@H]1CCCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 c1ccc(cc1)C[*:1] CO[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)O[*:1]
CO[C@H]1CCCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] CO[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)OC[*:1]
COC(=O)C1(N(C)C(=O)Cc2cccc(OC(F)F)c2)CCCCC1 COC(=O)[*:1] CN(C(=O)Cc1cccc(c1)OC(F)F)C1(CCCCC1)[*:1]
COC(=O)C1(N(C)C(=O)Cc2cccc(OC(F)F)c2)CCCCC1 FC(F)[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)Cc1cccc(c1)O[*:1]
COC(=O)C1(N(C)C(=O)Cc2cccc(OC(F)F)c2)CCCCC1 FC(F)O[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)Cc1cccc(c1)[*:1]
CCOc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(/C=N/NC(=S)N[*:1])cc1
CCOc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1 CCO[*:1] Fc1ccc(cc1)NC(=S)N/N=C/c1ccc(cc1)[*:1]
Cn1ncnc1CNC(=O)NC[C@H](O)c1ccccc1F Fc1ccccc1[*:1] Cn1ncnc1CNC(=O)NC[C@H](O)[*:1]
Cn1ncnc1CNC(=O)NC[C@H](O)c1ccccc1F Cn1ncnc1[*:1] O=C(NC[C@H](O)c1ccccc1F)NC[*:1]
Cn1ncnc1CNC(=O)NC[C@H](O)c1ccccc1F Cn1ncnc1C[*:1] O=C(NC[C@H](O)c1ccccc1F)N[*:1]
C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)N[*:1]
CCCc1ccc(S(=O)(=O)N2CCN(C3CCSCC3)CC2)cc1 CCC[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN(CC1)C1CCSCC1
CCCc1ccc(S(=O)(=O)N2CCN(C3CCSCC3)CC2)cc1 C1CC(CCS1)[*:1] CCCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)[C@@H](C)CC(=O)[C@H](C#N)C(=O)NCc1ccccc1 CC(C)[*:1] C[C@@H](CC(=O)[C@H](C#N)C(=O)NCc1ccccc1)[*:1]
CC(C)[C@@H](C)CC(=O)[C@H](C#N)C(=O)NCc1ccccc1 CC(C)[C@@H](C)[*:1] N#C[C@@H](C(=O)C[*:1])C(=O)NCc1ccccc1
CC(C)[C@@H](C)CC(=O)[C@H](C#N)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CC(C)[C@@H](C)CC(=O)[C@H](C#N)C(=O)N[*:1]
CC(C)[C@@H](C)CC(=O)[C@H](C#N)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C)CC(=O)[C@H](C#N)C(=O)NC[*:1]
CC(C)[C@@H](C)CC(=O)[C@H](C#N)C(=O)NCc1ccccc1 CC(C)[C@@H](C)C[*:1] N#C[C@H](C(=O)NCc1ccccc1)C(=O)[*:1]
Cc1c(C(=O)NCCCSc2ccc(F)cc2)cccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NCCCS[*:1]
Cc1c(C(=O)NCCCSc2ccc(F)cc2)cccc1[N+](=O)[O-] Fc1ccc(cc1)S[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NCCC[*:1]
Cc1c(C(=O)NCCCSc2ccc(F)cc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NCCCSc1ccc(F)cc1
COC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)c1C C1CCC(C1)O[*:1] COC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCC[C@@H]2[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)c1C C1CCC(C1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCC[C@H]2O[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)c(C)c1[*:1]
Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCc1cccc(C(N)=O)c1 NC(=O)[*:1] Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCc1cccc(c1)[*:1]
C[C@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](Oc1ccc(cc1C=O)[N+](=O)[O-])C(=O)N[*:1]
C[C@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)Nc1cccc(Cl)c1 O=[N+]([O-])[*:1] C[C@H](Oc1ccc(cc1C=O)[*:1])C(=O)Nc1cccc(Cl)c1
CC(C)CC(=O)NNC(=O)CCOc1ccccc1 CC(C)C[*:1] O=C(CCOc1ccccc1)NNC(=O)[*:1]
CC(C)CC(=O)NNC(=O)CCOc1ccccc1 c1ccc(cc1)[*:1] CC(C)CC(=O)NNC(=O)CCO[*:1]
CC(C)CC(=O)NNC(=O)CCOc1ccccc1 CC(C)[*:1] O=C(CCOc1ccccc1)NNC(=O)C[*:1]
COCCCOC1CN(C(=O)N[C@H](C)c2ccc(Br)cc2)C1 COCC[*:1] C[C@@H](NC(=O)N1CC(C1)OC[*:1])c1ccc(Br)cc1
COCCCOC1CN(C(=O)N[C@H](C)c2ccc(Br)cc2)C1 COCCCO[*:1] C[C@@H](NC(=O)N1CC(C1)[*:1])c1ccc(Br)cc1
COCCCOC1CN(C(=O)N[C@H](C)c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] COCCCOC1CN(C1)C(=O)N[C@H](C)[*:1]
COCCCOC1CN(C(=O)N[C@H](C)c2ccc(Br)cc2)C1 COCCC[*:1] C[C@@H](NC(=O)N1CC(C1)O[*:1])c1ccc(Br)cc1
COCCCOC1CN(C(=O)N[C@H](C)c2ccc(Br)cc2)C1 COC[*:1] C[C@@H](NC(=O)N1CC(C1)OCC[*:1])c1ccc(Br)cc1
CCCN(C(=O)c1[nH]c(C)c(C(=O)OCC)c1C)[C@H]1CCc2ccccc2C1 CCC[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)N([C@H]2CCc3ccccc3C2)[*:1])c1C
CCCN(C(=O)c1[nH]c(C)c(C(=O)OCC)c1C)[C@H]1CCc2ccccc2C1 CCOC(=O)[*:1] CCCN(C(=O)c1[nH]c(C)c(c1C)[*:1])[C@H]1CCc2ccccc2C1
O[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 FC(F)(F)[*:1] O[C@H](c1cccc(c1)[*:1])[C@H]1CCC[NH2+]C1
C=CCOc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 C=CCO[*:1] O=C(Cc1ccc(Cl)cc1)Nc1cccc(c1)[*:1]
C=CCOc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] C=CCOc1cccc(c1)NC(=O)C[*:1]
C=CCOc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 C=CC[*:1] O=C(Cc1ccc(Cl)cc1)Nc1cccc(c1)O[*:1]
COc1ccccc1/C=C/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O O=[N+]([O-])[*:1] COc1ccccc1/C=C/C=C1/N=C(OC1=O)c1cccc(c1)[*:1]
COc1ccccc1/C=C/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O COc1ccccc1[*:1] O=C1OC(=N/C1=C/C=C[*:1])c1cccc(c1)[N+](=O)[O-]
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 Clc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N[C@H](C)c1ccc(cc1)C(F)(F)F
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 CC(C)[*:1] C[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1Cl)[*:1])c1ccc(cc1)C(F)(F)F
CN(CCCOc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 Clc1ccc(cc1)[*:1] CN(CCCO[*:1])C(=O)N[C@@H]1CC(=O)N(C1)C1CC1
CN(CCCOc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 Clc1ccc(cc1)O[*:1] CN(CCC[*:1])C(=O)N[C@@H]1CC(=O)N(C1)C1CC1
CN(CCCOc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CN(CCCOc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CC[C@H](CO)n1c(C)nc2cc([N+](=O)[O-])ccc21 CC[C@H](CO)[*:1] Cc1nc2cc(ccc2n1[*:1])[N+](=O)[O-]
CC[C@H](CO)n1c(C)nc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CC[C@H](CO)n1c(C)nc2cc(ccc21)[*:1]
O=C([O-])COc1cccc(NC(=O)c2nnn[n-]2)c1 O=C([O-])C[*:1] O=C(Nc1cccc(c1)O[*:1])c1nnn[n-]1
O=C([O-])COc1cccc(NC(=O)c2nnn[n-]2)c1 O=C([O-])CO[*:1] O=C(Nc1cccc(c1)[*:1])c1nnn[n-]1
O=C([O-])COc1cccc(NC(=O)c2nnn[n-]2)c1 O=C([O-])[*:1] O=C(Nc1cccc(c1)OC[*:1])c1nnn[n-]1
O=[N+]([O-])c1cccc(-c2cs/c(=[NH+]\c3ccccc3)n2N2CCOCC2)c1 O=[N+]([O-])[*:1] c1ccc(cc1)/[NH+]=c1\scc(-c2cccc(c2)[*:1])n1N1CCOCC1
O=[N+]([O-])c1cccc(-c2cs/c(=[NH+]\c3ccccc3)n2N2CCOCC2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)-c1csc(=[NH+][*:1])n1N1CCOCC1
O=[N+]([O-])c1cccc(-c2cs/c(=[NH+]\c3ccccc3)n2N2CCOCC2)c1 O=[N+]([O-])c1cccc(c1)[*:1] c1ccc(cc1)/[NH+]=c1\scc(n1N1CCOCC1)[*:1]
C[C@H](O)CCC(=O)N1CCC[C@@H](C(N)=O)C1 NC(=O)[*:1] C[C@H](O)CCC(=O)N1CCC[C@@H](C1)[*:1]
C[C@H](O)CCC(=O)N1CCC[C@@H](C(N)=O)C1 C[C@H](O)CC[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
C[C@H](O)CCC(=O)N1CCC[C@@H](C(N)=O)C1 C[C@H](O)C[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
C[C@H](O)CCC(=O)N1CCC[C@@H](C(N)=O)C1 C[C@H](O)[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)CC[*:1]
N#C[C@H](C(=O)CCNC(=O)/C=C/c1ccco1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@H](C(=O)CCNC(=O)/C=C/c1ccco1)[*:1]
N#C[C@H](C(=O)CCNC(=O)/C=C/c1ccco1)c1ccc(F)cn1 c1coc(c1)[*:1] N#C[C@H](C(=O)CCNC(=O)C=C[*:1])c1ccc(F)cn1
N#C[C@H](C(=O)CCNC(=O)/C=C/c1ccco1)c1ccc(F)cn1 C(=C[*:1])c1ccco1 N#C[C@H](C(=O)CCNC(=O)[*:1])c1ccc(F)cn1
CCc1n[nH]c(SCc2ccc(NC(C)=O)cc2)n1 CC(=O)N[*:1] CCc1n[nH]c(n1)SCc1ccc(cc1)[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)c1cnc2c(c1)c(C)nn2C COC(=O)[*:1] Cc1nn(C)c2ncc(cc12)C(=O)N1CCCc2c1cccc2[*:1]
COc1ccc(C[NH2+]C(C)C)c(OC)c1 CC(C)[*:1] COc1ccc(C[NH2+][*:1])c(c1)OC
CCOc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)Nc1ccc2[nH]ccc2c1
CCOc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)Nc1ccc2[nH]ccc2c1
O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)c(Cl)c1 C1CC1[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1ccc(Cl)c(Cl)c1
O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)c(Cl)c1 O=C(N[*:1])C1CC1 O=C(Nc1cccc(c1)[*:1])c1ccc(Cl)c(Cl)c1
Cc1ccc(N2CCOC2=O)cc1NC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1NC(=O)[*:1])N1CCOC1=O
Cc1ccc(N2CCOC2=O)cc1NC(=O)Cc1ccc(F)cc1 O=C1OCCN1[*:1] Cc1ccc(cc1NC(=O)Cc1ccc(F)cc1)[*:1]
Cc1ccc(N2CCOC2=O)cc1NC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)C[*:1])N1CCOC1=O
CN(Cc1nccn1C(F)F)C(=O)Nc1ccc2oc(C3CC3)nc2c1 C1CC1[*:1] CN(Cc1nccn1C(F)F)C(=O)Nc1ccc2oc(nc2c1)[*:1]
CN(Cc1nccn1C(F)F)C(=O)Nc1ccc2oc(C3CC3)nc2c1 FC(F)[*:1] CN(Cc1nccn1[*:1])C(=O)Nc1ccc2oc(nc2c1)C1CC1
CN(Cc1nccn1C(F)F)C(=O)Nc1ccc2oc(C3CC3)nc2c1 FC(F)n1ccnc1[*:1] CN(C[*:1])C(=O)Nc1ccc2oc(nc2c1)C1CC1
Cc1cc(C(=O)NC2CCN(C(=O)N[C@H]3CC[C@@H]([NH+](C)C)C3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1cc(F)c2c(c1)CCCN2Cc1nnc(-c2cc(C)oc2C)o1 Cc1cc(c(C)o1)[*:1] Cc1cc(F)c2c(c1)CCCN2Cc1nnc(o1)[*:1]
Cc1cc(C)cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)C(=O)Nc1nc(cs1)-c1cccc(c1)[*:1]
Cc1cc(C)cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 Cc1cc(C)cc(c1)[*:1] O=C(Nc1nc(cs1)-c1cccc(c1)[N+](=O)[O-])[*:1]
N#CC(C#N)=CN[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] N#CC(C#N)=CN[C@@H]1CCCN(C[*:1])C1=O
N#CC(C#N)=CN[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] N#CC(C#N)=CN[C@@H]1CCCN(C1=O)[*:1]
CC(C)NC(=O)C[C@@H](C)NC(=O)N(C)[C@H](C)c1ccncc1 CC(C)[*:1] C[C@H](CC(=O)N[*:1])NC(=O)N(C)[C@H](C)c1ccncc1
CC(C)NC(=O)C[C@@H](C)NC(=O)N(C)[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] CC(C)NC(=O)C[C@@H](C)NC(=O)N(C)[C@H](C)[*:1]
CC(C)NC(=O)C[C@@H](C)NC(=O)N(C)[C@H](C)c1ccncc1 CC(C)NC(=O)[*:1] C[C@H](C[*:1])NC(=O)N(C)[C@H](C)c1ccncc1
CC(C)NC(=O)C[C@@H](C)NC(=O)N(C)[C@H](C)c1ccncc1 CC(C)NC(=O)C[*:1] C[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)[*:1]
CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1 c1cncc(c1)[*:1] CCCOc1ccc(cc1)-c1cc([nH]n1)C(=O)NN=C[*:1]
CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1 CCCO[*:1] O=C(N/N=C/c1cccnc1)c1cc(n[nH]1)-c1ccc(cc1)[*:1]
CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1 CCC[*:1] O=C(N/N=C/c1cccnc1)c1cc(n[nH]1)-c1ccc(cc1)O[*:1]
CC(C)c1nn(C)c2sc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc12 CC(C)[*:1] Cn1nc(c2cc(sc21)C(=O)N1CCC[C@@H](C1)[NH+]1CCCC1)[*:1]
CC(C)[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] CC(C)[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)N[*:1]
CC(C)[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)NC1CCCCCCC1 CC(C)[*:1] O=C(NC1CCCCCCC1)[C@@H](Sc1nnnn1C[C@H]1CCCO1)[*:1]
CC(C)[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)NC1CCCCCCC1 C1CO[C@H](C1)[*:1] CC(C)[C@H](Sc1nnnn1C[*:1])C(=O)NC1CCCCCCC1
CC(C)[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)NC1CCCCCCC1 C1CO[C@H](C1)C[*:1] CC(C)[C@H](Sc1nnnn1[*:1])C(=O)NC1CCCCCCC1
C[C@H](O)CCC(=O)NC(CO)CO C[C@H](O)[*:1] O=C(CC[*:1])NC(CO)CO
C[C@H](O)CCC(=O)NC(CO)CO C[C@H](O)C[*:1] O=C(C[*:1])NC(CO)CO
O=C([O-])Cn1c2c(sc1=O)C[C@H](c1ccccc1)CC2 O=C([O-])C[*:1] O=c1sc2C[C@@H](CCc2n1[*:1])c1ccccc1
O=C([O-])Cn1c2c(sc1=O)C[C@H](c1ccccc1)CC2 O=C([O-])[*:1] O=c1sc2C[C@@H](CCc2n1C[*:1])c1ccccc1
O=C([O-])Cn1c2c(sc1=O)C[C@H](c1ccccc1)CC2 c1ccc(cc1)[*:1] O=C([O-])Cn1c2CC[C@@H](Cc2sc1=O)[*:1]
CCn1c(C)cc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c1C CCn1c(C)cc(c1C)[*:1] NC(=O)C1CC[NH+](CC1)Cc1cccc(c1)NC(=O)[*:1]
CCn1c(C)cc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c1C NC(=O)[*:1] CCn1c(C)cc(C(=O)Nc2cccc(c2)C[NH+]2CCC(CC2)[*:1])c1C
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] N#C/C(=C\c1c[nH]c2ccccc12)C(=O)N[*:1]
CC(C)N(Cc1ccccc1)C(=O)CNC(=O)NC1CCCCC1 c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)CNC(=O)NC1CCCCC1
CC(C)N(Cc1ccccc1)C(=O)CNC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC(C)N(Cc1ccccc1)C(=O)CNC(=O)N[*:1]
CC(C)N(Cc1ccccc1)C(=O)CNC(=O)NC1CCCCC1 CC(C)[*:1] O=C(NCC(=O)N(Cc1ccccc1)[*:1])NC1CCCCC1
CC(C)N(Cc1ccccc1)C(=O)CNC(=O)NC1CCCCC1 c1ccc(cc1)C[*:1] CC(C)N(C(=O)CNC(=O)NC1CCCCC1)[*:1]
O=C(C1CCCC1)N1CCCC[C@H]1CC[NH+]1CCCC1 C1CCC(C1)[*:1] O=C(N1CCCC[C@H]1CC[NH+]1CCCC1)[*:1]
CCOCCCC(=O)N1CCC[C@@H]1c1ccc[nH]1 CCOCC[*:1] O=C(C[*:1])N1CCC[C@@H]1c1ccc[nH]1
CCOCCCC(=O)N1CCC[C@@H]1c1ccc[nH]1 CCO[*:1] O=C(CCC[*:1])N1CCC[C@@H]1c1ccc[nH]1
CCOCCCC(=O)N1CCC[C@@H]1c1ccc[nH]1 CCOC[*:1] O=C(CC[*:1])N1CCC[C@@H]1c1ccc[nH]1
CCOCCCC(=O)N1CCC[C@@H]1c1ccc[nH]1 CCOCCC[*:1] O=C(N1CCC[C@@H]1c1ccc[nH]1)[*:1]
CCOCCCC(=O)N1CCC[C@@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] CCOCCCC(=O)N1CCC[C@H]1[*:1]
COc1ccc(-c2nc3nc4ccccc4nc3n2CC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nc2nc3ccccc3nc2n1C[*:1]
COc1ccc(-c2nc3nc4ccccc4nc3n2CC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)-c1nc2nc3ccccc3nc2n1[*:1]
COc1ccc(-c2nc3nc4ccccc4nc3n2CC(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)Cn1c(nc2nc3ccccc3nc21)[*:1]
Cc1cnc(-c2nc(C3CCN(C(=O)C4CCCC4)CC3)no2)cn1 C1CCC(C1)[*:1] Cc1cnc(cn1)-c1nc(no1)C1CCN(CC1)C(=O)[*:1]
Cc1cnc(-c2nc(C3CCN(C(=O)C4CCCC4)CC3)no2)cn1 Cc1cnc(cn1)[*:1] O=C(C1CCCC1)N1CCC(CC1)c1noc(n1)[*:1]
C[C@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)N1CCCCCC1 O=[N+]([O-])[*:1] C[C@H](Oc1ccc(cc1C=O)[*:1])C(=O)N1CCCCCC1
Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H]2CCCO2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])c1oc2ccccc2c1NC(=O)[C@H]1CCCO1
O=C1CCC[C@@H](C(=O)c2ccccc2C2CC2)C1 C1CC1[*:1] O=C1CCC[C@H](C1)C(=O)c1ccccc1[*:1]
CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 O=C(N[*:1])c1ccco1 CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(s1)[*:1]
CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 c1coc(c1)[*:1] CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)[*:1])s1
CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 Cc1cc(C)cc(c1)[*:1] CCN(S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1)[*:1]
O[C@@H](COc1ccc2c(c1)CCC2)CN1CCN(c2ccc(F)cc2)CC1 c1cc2CCCc2cc1[*:1] O[C@@H](CO[*:1])CN1CCN(CC1)c1ccc(F)cc1
O[C@@H](COc1ccc2c(c1)CCC2)CN1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O[C@@H](COc1ccc2CCCc2c1)CN1CCN(CC1)[*:1]
Cc1cccc(SCC[C@H]2CCC[C@]2([NH3+])C(N)=O)c1 NC(=O)[*:1] Cc1cccc(c1)SCC[C@H]1CCC[C@@]1([NH3+])[*:1]
O=C(Cc1c(F)cccc1Cl)Nc1nc(C[NH+]2CCCCC2)cs1 Fc1cccc(Cl)c1[*:1] O=C(C[*:1])Nc1nc(cs1)C[NH+]1CCCCC1
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C)C2)c1 Clc1ccccc1[*:1] C=CCN(S(=O)(=O)c1cccc(c1)C(=O)N1CCO[C@H](C)C1)[*:1]
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C)C2)c1 C[C@@H]1CN(CCO1)C(=O)[*:1] C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(c1)[*:1]
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C)C2)c1 C=CC[*:1] C[C@@H]1CN(CCO1)C(=O)c1cccc(c1)S(=O)(=O)N(c1ccccc1Cl)[*:1]
CC(C)[C@@H](NC(N)=O)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O NC(=O)N[*:1] CC(C)[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)[*:1]
CC(C)[C@@H](NC(N)=O)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O O=C([O-])[*:1] CC(C)[C@@H](NC(N)=O)C(=O)N[C@H]([C@@H](C)O)[*:1]
CC(C)[C@@H](NC(N)=O)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O C[C@@H](O)[*:1] CC(C)[C@@H](NC(N)=O)C(=O)N[C@H](C(=O)[O-])[*:1]
CC(C)[C@@H](NC(N)=O)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O CC(C)[*:1] C[C@@H](O)[C@H](NC(=O)[C@H](NC(N)=O)[*:1])C(=O)[O-]
O=C(c1cccnc1OCC(F)F)N1CCC[C@@H](c2nccs2)C1 FC(F)C[*:1] O=C(c1cccnc1O[*:1])N1CCC[C@H](C1)c1nccs1
O=C(c1cccnc1OCC(F)F)N1CCC[C@@H](c2nccs2)C1 FC(F)[*:1] O=C(c1cccnc1OC[*:1])N1CCC[C@H](C1)c1nccs1
O=C(c1cccnc1OCC(F)F)N1CCC[C@@H](c2nccs2)C1 FC(F)CO[*:1] O=C(c1cccnc1[*:1])N1CCC[C@H](C1)c1nccs1
O=C(c1cccnc1OCC(F)F)N1CCC[C@@H](c2nccs2)C1 c1csc(n1)[*:1] O=C(c1cccnc1OCC(F)F)N1CCC[C@@H](C1)[*:1]
C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccn1 O=C(NC1CCCC1)[*:1] C=CCn1c(nnc1-c1ccccn1)SC[*:1]
C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccn1 C=CC[*:1] O=C(CSc1nnc(-c2ccccn2)n1[*:1])NC1CCCC1
C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccn1 C1CCC(C1)[*:1] C=CCn1c(nnc1-c1ccccn1)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccn1 c1ccc(nc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)NC1CCCC1
COCCc1nc(C)c([C@@H](C)N[C@@H]2CCCN(c3ccccc3)C2=O)s1 c1ccc(cc1)[*:1] COCCc1nc(C)c(s1)[C@@H](C)N[C@@H]1CCCN(C1=O)[*:1]
COCCc1nc(C)c([C@@H](C)N[C@@H]2CCCN(c3ccccc3)C2=O)s1 COCC[*:1] Cc1nc(sc1[C@@H](C)N[C@@H]1CCCN(C1=O)c1ccccc1)[*:1]
COCCc1nc(C)c([C@@H](C)N[C@@H]2CCCN(c3ccccc3)C2=O)s1 COC[*:1] Cc1nc(C[*:1])sc1[C@@H](C)N[C@@H]1CCCN(C1=O)c1ccccc1
COC(=O)c1ccc(NC(=O)[C@@]23C[C@H]4CC[C@]2(C)[C@@]4(C)CO3)cc1 COC(=O)[*:1] C[C@]12CO[C@@]3(C[C@H]1CC[C@]23C)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)OCC(=O)NC(c1ccccc1)[*:1]
CC(=O)Nc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 CC(=O)N[*:1] O=C(COc1ccc(cc1)[*:1])NC(c1ccccc1)c1ccccc1
O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CC[C@H](O)C1 Fc1ccc(cc1)[*:1] O=C(Cc1csc2nc(cn12)[*:1])N1CC[C@H](O)C1
COCCNC(=O)c1ccc(N[C@@H]2C[C@@](C)(OC)C2(C)C)nc1 COC[*:1] CO[C@]1(C)C[C@@H](Nc2ccc(cn2)C(=O)NC[*:1])C1(C)C
COCCNC(=O)c1ccc(N[C@@H]2C[C@@](C)(OC)C2(C)C)nc1 COCCNC(=O)[*:1] CO[C@]1(C)C[C@@H](Nc2ccc(cn2)[*:1])C1(C)C
COCCNC(=O)c1ccc(N[C@@H]2C[C@@](C)(OC)C2(C)C)nc1 COCC[*:1] CO[C@]1(C)C[C@@H](Nc2ccc(cn2)C(=O)N[*:1])C1(C)C
CC[C@@H]([NH2+][C@H](C)Cn1c[nH+]c(C)c1C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H]([NH2+][C@H](C)Cn1c[nH+]c(C)c1C)c1cccc(c1)[*:1]
Cc1ccc2nc(C)c(C(=O)NCc3nccn3Cc3ccccc3)cc2c1 c1ccc(cc1)C[*:1] Cc1ccc2nc(C)c(cc2c1)C(=O)NCc1nccn1[*:1]
Cc1ccc2nc(C)c(C(=O)NCc3nccn3Cc3ccccc3)cc2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(C)c(cc2c1)C(=O)NCc1nccn1C[*:1]
Cc1csc(=O)n1CC(=O)NCC1(N2CCOCC2)CCCCC1 Cc1csc(=O)n1C[*:1] O=C(NCC1(CCCCC1)N1CCOCC1)[*:1]
Cc1csc(=O)n1CC(=O)NCC1(N2CCOCC2)CCCCC1 Cc1csc(=O)n1[*:1] O=C(C[*:1])NCC1(CCCCC1)N1CCOCC1
Cc1csc(=O)n1CC(=O)NCC1(N2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] Cc1csc(=O)n1CC(=O)NCC1(CCCCC1)[*:1]
Cc1cccc(OC2CCN(C(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)CC2)c1 Cc1cccc(c1)O[*:1] Cn1c(=O)n(C)c2cc(ccc21)CCC(=O)N1CCC(CC1)[*:1]
Cc1cccc(OC2CCN(C(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)CC2)c1 Cc1cccc(c1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)CCC(=O)N1CCC(CC1)O[*:1]
Cc1ccc(/C=C/C(=O)NCc2nc(-c3ccncc3)no2)c(C)c1 c1cc(ccn1)[*:1] Cc1ccc(/C=C/C(=O)NCc2nc(no2)[*:1])c(C)c1
Cc1ccc(/C=C/C(=O)NCc2nc(-c3ccncc3)no2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(C=C[*:1])NCc1nc(no1)-c1ccncc1
Cc1nccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)C(C)C)cc1 CC(C)[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NC(=O)N[C@@H](C)[*:1]
Cc1nccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)C(C)C)cc1 Cc1nccn1[*:1] CC(C)[C@H](C)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)C(C)C)cc1 CC(C)[C@H](C)[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NC(=O)N[*:1]
CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(Cl)cc2)S1 Clc1ccc(cc1)[*:1] CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)C(=N[*:1])S1
CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(Cl)cc2)S1 CCNC(=O)[*:1] COC(=O)CN1C(=O)C[C@H](S/C1=N\c1ccc(Cl)cc1)[*:1]
CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(Cl)cc2)S1 COC(=O)C[*:1] CCNC(=O)[C@@H]1CC(=O)N(/C(=N/c2ccc(Cl)cc2)S1)[*:1]
CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(Cl)cc2)S1 COC(=O)[*:1] CCNC(=O)[C@@H]1CC(=O)N(C[*:1])/C(=N/c2ccc(Cl)cc2)S1
Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@@H]2CCCNC2=O)c1C Brc1ccc(cc1)[*:1] Cc1nn(c(NC(=O)N[C@@H]2CCCNC2=O)c1C)[*:1]
CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(Cl)cc2F)C1 O=C([O-])[*:1] CO[C@@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1F)[*:1]
O=C(COc1ccc(Br)cc1)NC1CCN(C(=O)c2ccoc2)CC1 Brc1ccc(cc1)O[*:1] O=C(C[*:1])NC1CCN(CC1)C(=O)c1ccoc1
O=C(COc1ccc(Br)cc1)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] O=C(COc1ccc(Br)cc1)NC1CCN(CC1)C(=O)[*:1]
O=C(COc1ccc(Br)cc1)NC1CCN(C(=O)c2ccoc2)CC1 Brc1ccc(cc1)[*:1] O=C(CO[*:1])NC1CCN(CC1)C(=O)c1ccoc1
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1nc2ccc(cc2s1)[N+](=O)[O-])[*:1]
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1F O=[N+]([O-])[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1ccccc1F
NC(=O)CCN(C(=O)[C@@H]1SCCc2sccc21)c1ccccc1 NC(=O)C[*:1] O=C([C@@H]1SCCc2sccc21)N(C[*:1])c1ccccc1
NC(=O)CCN(C(=O)[C@@H]1SCCc2sccc21)c1ccccc1 NC(=O)CC[*:1] O=C([C@@H]1SCCc2sccc21)N(c1ccccc1)[*:1]
NC(=O)CCN(C(=O)[C@@H]1SCCc2sccc21)c1ccccc1 NC(=O)[*:1] O=C([C@@H]1SCCc2sccc21)N(CC[*:1])c1ccccc1
NC(=O)CCN(C(=O)[C@@H]1SCCc2sccc21)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)CCN(C(=O)[C@@H]1SCCc2sccc21)[*:1]
O=C(NCc1nc(-c2cccs2)n[nH]1)c1cc(-c2ccccc2)on1 c1csc(c1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])c1cc(on1)-c1ccccc1
O=C(NCc1nc(-c2cccs2)n[nH]1)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(NCc1nc(n[nH]1)-c1cccs1)c1cc(on1)[*:1]
Cc1nc(C)c(C(=O)N2CC(C(=O)N3CCOCC3)C2)o1 Cc1nc(C)c(o1)[*:1] O=C(C1CN(C1)C(=O)[*:1])N1CCOCC1
O=S(=O)(N[C@@H]1C[C@H]2CCCc3cccc1c32)c1cnn([C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] O=S(=O)(N[C@@H]1C[C@H]2CCCc3cccc1c32)c1cnn(c1)[*:1]
COc1ccc(-c2nnc(SCC(=O)N3CCCC3(C)C)o2)cc1 COc1ccc(cc1)[*:1] CC1(C)CCCN1C(=O)CSc1nnc(o1)[*:1]
Cc1ccc(SCCC(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)cc1 Cc1ccc(cc1)S[*:1] O=C(CC[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
Cc1ccc(SCCC(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)cc1 Cc1ccc(cc1)[*:1] O=C(CCS[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
O=C(CCC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1cccs1 O=C(C[*:1])c1cccs1 O=C(C[*:1])N1CCN(CC1)C(=O)c1cccc(c1)C(F)(F)F
O=C(CCC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1cccs1 FC(F)(F)[*:1] O=C(CCC(=O)N1CCN(CC1)C(=O)c1cccc(c1)[*:1])c1cccs1
O=C(CCC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1cccs1 O=C(c1cccs1)[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)c1cccc(c1)C(F)(F)F
O=C(CCC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1cccs1 O=C(CC[*:1])c1cccs1 O=C(c1cccc(c1)C(F)(F)F)N1CCN(CC1)C(=O)[*:1]
O=C(CCC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1cccs1 c1csc(c1)[*:1] O=C(CCC(=O)[*:1])N1CCN(CC1)C(=O)c1cccc(c1)C(F)(F)F
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1cccc(Br)c1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)NNC(=O)c1cccc(Br)c1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1cccc(Br)c1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)c1cccc(Br)c1
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@@H](Oc1ccccc1)C(=O)NNC(=O)[*:1]
O=C(NCc1cccnc1-n1cncn1)c1cccc(N2CCCS2(=O)=O)c1 O=S1(=O)CCCN1[*:1] O=C(NCc1cccnc1-n1cncn1)c1cccc(c1)[*:1]
O=C(NCc1cccnc1-n1cncn1)c1cccc(N2CCCS2(=O)=O)c1 c1ncn(n1)[*:1] O=C(NCc1cccnc1[*:1])c1cccc(c1)N1CCCS1(=O)=O
COc1ccc(C[C@H](C)CNC(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)C[C@H](C)CNC(=O)[*:1]
COCCNC(=O)[C@@H]1c2ccccc2C(=O)N1c1cc(C)cc(C)c1 COCC[*:1] Cc1cc(C)cc(c1)N1C(=O)c2ccccc2[C@H]1C(=O)N[*:1]
COCCNC(=O)[C@@H]1c2ccccc2C(=O)N1c1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] COCCNC(=O)[C@@H]1c2ccccc2C(=O)N1[*:1]
COCCNC(=O)[C@@H]1c2ccccc2C(=O)N1c1cc(C)cc(C)c1 COCCNC(=O)[*:1] Cc1cc(C)cc(c1)N1C(=O)c2ccccc2[C@H]1[*:1]
COCCNC(=O)[C@@H]1c2ccccc2C(=O)N1c1cc(C)cc(C)c1 COC[*:1] Cc1cc(C)cc(c1)N1C(=O)c2ccccc2[C@H]1C(=O)NC[*:1]
CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1cncn1C1CC1 C1CC1[*:1] CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1cncn1[*:1]
CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1cncn1C1CC1 CCC[*:1] C[C@@H](N(C)[C@@H](C[NH3+])c1cncn1C1CC1)[*:1]
CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1cncn1C1CC1 CCC[C@@H](C)[*:1] CN([C@@H](C[NH3+])c1cncn1C1CC1)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cc(-c2cccs2)nc2ccccc12 c1csc(c1)[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cc(nc2ccccc12)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cc(-c2cccs2)nc2ccccc12 CC(C)(C)[*:1] C[C@H](NC(=O)[*:1])C(=O)NNC(=O)c1cc(nc2ccccc12)-c1cccs1
C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cc(-c2cccs2)nc2ccccc12 CC(C)(C)C(=O)N[*:1] C[C@H](C(=O)NNC(=O)c1cc(nc2ccccc12)-c1cccs1)[*:1]
CCS(=O)(=O)[N-]c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(=O)NC)cc1 CNC(=O)[*:1] CCS(=O)(=O)[N-]c1ccc(cc1)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[*:1]
Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(N2CCCC2)s1 C1CCN(C1)[*:1] Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(s1)[*:1]
Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(N2CCCC2)s1 Cc1ccccc1[*:1] C[C@H](Sc1nnc(s1)N1CCCC1)C(=O)N[*:1]
Cc1oc(C)c(C(=O)Nc2ccccc2OC(C)C)c1Br CC(C)O[*:1] Cc1oc(C)c(C(=O)Nc2ccccc2[*:1])c1Br
Cc1oc(C)c(C(=O)Nc2ccccc2OC(C)C)c1Br CC(C)[*:1] Cc1oc(C)c(C(=O)Nc2ccccc2O[*:1])c1Br
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCC(C)(C)O)C1 CC(C)C[*:1] CC(C)(O)CNC(=O)C[C@@H]1CCCN(C1)C(=O)N[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCC(C)(C)O)C1 CC(C)(O)C[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[*:1])C1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCC(C)(C)O)C1 CC(C)[*:1] CC(C)(O)CNC(=O)C[C@@H]1CCCN(C1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCC(C)(C)O)C1 CC(C)(O)[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NC[*:1])C1
Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)-n1nnnc1S[C@@H](C)[*:1]
Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)N2CCCC2)c1 Cc1cccc(c1)[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)N1CCCC1
COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)c(OC)c1 Clc1cccc(c1)[*:1] COc1ccc(C(=O)NC(=S)N[*:1])c(c1)OC
CCN(Cc1ccccn1)C(=O)[C@H]1C[NH2+]C[C@@H]1C c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)[C@H]1C[NH2+]C[C@@H]1C
COC(=O)c1ccccc1NC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2 COC(=O)[*:1] Cc1ccc2OCc3cnn(CC(=O)Nc4ccccc4[*:1])c3-c2c1
O=[N+]([O-])c1ccc(NCCc2ccccc2)cn1 O=[N+]([O-])[*:1] c1ccc(cc1)CCNc1ccc(nc1)[*:1]
O=[N+]([O-])c1ccc(NCCc2ccccc2)cn1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cn1)NCC[*:1]
Cc1ccc(-c2cnc(CCC(=O)Nc3ccc4c(C)n[nH]c4c3)o2)cc1 Cc1ccc(cc1)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)CCc1ncc(o1)[*:1]
CN(C1CC1)[C@@H](C[NH3+])c1ccc(Br)cc1 CN(C1CC1)[*:1] [NH3+]C[C@@H](c1ccc(Br)cc1)[*:1]
CN(C1CC1)[C@@H](C[NH3+])c1ccc(Br)cc1 C1CC1[*:1] CN([C@@H](C[NH3+])c1ccc(Br)cc1)[*:1]
CC(=O)C1=NN(c2ccccc2)[C@]2(SCC(=O)N2c2ccccc2)S1 c1ccc(cc1)[*:1] CC(=O)C1=NN(c2ccccc2)[C@]2(SCC(=O)N2[*:1])S1
CC(=O)C1=NN(c2ccccc2)[C@]2(SCC(=O)N2c2ccccc2)S1 c1ccc(cc1)[*:1] CC(=O)C1=NN([C@]2(SCC(=O)N2c2ccccc2)S1)[*:1]
CCOc1c(F)cccc1C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CCOc1c(F)cccc1C(=O)N[C@@H](C)c1noc(C[*:1])n1
CCOc1c(F)cccc1C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 CCO[*:1] C[C@H](NC(=O)c1cccc(F)c1[*:1])c1noc(Cc2ccccc2)n1
CCOc1c(F)cccc1C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CCOc1c(F)cccc1C(=O)N[C@@H](C)c1noc(n1)[*:1]
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 CC(C)(C)OC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H]1c1ccc2OCCCOc2c1
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCC[C@H]1c1ccc2OCCCOc2c1)O[*:1]
CC1(C)[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]2CCO[C@@H]21 O=[N+]([O-])[*:1] CC1(C)[C@@H](NC(=O)Nc2ccc(c(Cl)c2)[*:1])[C@H]2CCO[C@@H]21
COc1cccc(CC(=O)NCc2ccc[nH+]c2N(C)C)c1 CN(C)[*:1] COc1cccc(c1)CC(=O)NCc1ccc[nH+]c1[*:1]
CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2cccc(C)c2)c2ccccc12 CCN(CC)C(=O)[*:1] Cc1cccc(c1)NC(=O)Cn1c(=O)cc(c2ccccc21)[*:1]
CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2cccc(C)c2)c2ccccc12 Cc1cccc(c1)[*:1] CCN(CC)C(=O)c1cc(=O)n(CC(=O)N[*:1])c2ccccc12
CC(=O)NC[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 CC(=O)N[*:1] O=C(c1nn(cc1[O-])-c1ccc(F)cc1)N1CCC[C@@H](C1)C[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 CC(=O)NC[*:1] O=C(c1nn(cc1[O-])-c1ccc(F)cc1)N1CCC[C@@H](C1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 Fc1ccc(cc1)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)c1nn(cc1[O-])[*:1]
CCN(C)S(=O)(=O)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCN(C)S(=O)(=O)N[C@H]1CCN(C1=O)[*:1]
CC(C)c1ccc(NC(=O)Cn2cnnc2C#N)cc1 CC(C)[*:1] N#Cc1nncn1CC(=O)Nc1ccc(cc1)[*:1]
Cc1cnccc1CC[NH2+][C@@H](C(C)C)C1CC1 C1CC1[*:1] Cc1cnccc1CC[NH2+][C@@H](C(C)C)[*:1]
Cc1cnccc1CC[NH2+][C@@H](C(C)C)C1CC1 CC(C)[*:1] Cc1cnccc1CC[NH2+][C@@H](C1CC1)[*:1]
CC[S@](=O)CC(=O)N(CC(F)(F)F)C(C)C CC[S@](=O)[*:1] CC(C)N(CC(F)(F)F)C(=O)C[*:1]
CC[S@](=O)CC(=O)N(CC(F)(F)F)C(C)C FC(F)(F)C[*:1] CC[S@](=O)CC(=O)N(C(C)C)[*:1]
CC[S@](=O)CC(=O)N(CC(F)(F)F)C(C)C FC(F)(F)[*:1] CC[S@](=O)CC(=O)N(C[*:1])C(C)C
CC[S@](=O)CC(=O)N(CC(F)(F)F)C(C)C CC(C)[*:1] CC[S@](=O)CC(=O)N(CC(F)(F)F)[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O Clc1cccc(c1)[*:1] CCC[C@@](C)(CO)NC(=O)N[C@H]1CCN(C1=O)[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O CCC[*:1] C[C@@](CO)(NC(=O)N[C@H]1CCN(C1=O)c1cccc(Cl)c1)[*:1]
CCOc1cccc(C=O)c1OC[C@@H]1CN(C)CCO1 CCO[*:1] CN1CCO[C@H](COc2c(C=O)cccc2[*:1])C1
COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc(OC)c1OC Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CC(=O)NC2C[C@H](CC(=O)C=21)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccnc(Cl)n1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H]1COc1ccnc(Cl)n1
CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccnc(Cl)n1 Clc1nccc(n1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H]1CO[*:1]
CC[C@H](C(=O)N1CCCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O Clc1cccc(c1)[*:1] CC[C@H](C(=O)N1CCCCCC1)N(S(C)(=O)=O)[*:1]
CN(CCS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN(CCS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]1[*:1]
CN(CCS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1
CN(CCS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1
CN(CCS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 CS(=O)(=O)CC[*:1] CN(C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)[*:1]
C[C@@H](c1ccccn1)[C@@H]([NH3+])C(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](c1ccccn1)[C@@H]([NH3+])C(C)(C)[*:1]
C[NH2+]C[C@H](CC1CCOCC1)c1ccccc1Br C1CC(CCO1)[*:1] C[NH2+]C[C@H](C[*:1])c1ccccc1Br
Cc1ccc(/C=C/C(=O)N2CCn3cccc3[C@H]2C)s1 Cc1ccc(s1)[*:1] C[C@@H]1c2cccn2CCN1C(=O)C=C[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CC(C)(C)C(=O)CNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 Brc1cccc(c1)[*:1] CC(C)(C)C(=O)CNC(=O)c1cc(nc2ccccc12)[*:1]
CC(C)(C)C(=O)CNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 CC(C)(C)[*:1] O=C(NCC(=O)[*:1])c1cc(nc2ccccc12)-c1cccc(Br)c1
CC(C)(C)C(=O)CNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 CC(C)(C)C(=O)C[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1cccc(Br)c1
CC(C)(C)C(=O)CNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 CC(C)(C)C(=O)[*:1] O=C(NC[*:1])c1cc(nc2ccccc12)-c1cccc(Br)c1
O=C(Nc1ccc(F)cc1)c1ccccc1COc1ccccc1 Fc1ccc(cc1)[*:1] O=C(N[*:1])c1ccccc1COc1ccccc1
O=C(Nc1ccc(F)cc1)c1ccccc1COc1ccccc1 c1ccc(cc1)OC[*:1] O=C(Nc1ccc(F)cc1)c1ccccc1[*:1]
O=C(Nc1ccc(F)cc1)c1ccccc1COc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)c1ccccc1CO[*:1]
O=C(Nc1ccc(F)cc1)c1ccccc1COc1ccccc1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(F)cc1)c1ccccc1C[*:1]
Cc1c(O)cccc1C(F)(F)F FC(F)(F)[*:1] Cc1c(O)cccc1[*:1]
O=C1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1 FC(F)(F)[*:1] O=C1CC[C@H](CN1)NC(=O)c1ccc(cc1[N+](=O)[O-])[*:1]
O=C1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CN1 O=[N+]([O-])[*:1] O=C1CC[C@H](CN1)NC(=O)c1ccc(cc1[*:1])C(F)(F)F
Cc1noc(CCN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)n1 C1CC1[*:1] Cc1noc(CCN[C@H](c2ccc(Cl)c(Cl)c2)[*:1])n1
Cc1noc(CCN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)n1 Cc1noc(C[*:1])n1 Clc1ccc(cc1Cl)[C@@H](NC[*:1])C1CC1
Cc1noc(CCN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)n1 Cc1noc(n1)[*:1] Clc1ccc(cc1Cl)[C@@H](NCC[*:1])C1CC1
C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cn1cccn1 c1cnn(c1)[*:1] C[C@H](CNC(=O)Nc1ccc(cc1)[N+](=O)[O-])C[*:1]
C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cn1cccn1 O=[N+]([O-])[*:1] C[C@H](CNC(=O)Nc1ccc(cc1)[*:1])Cn1cccn1
C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cn1cccn1 c1cnn(c1)C[*:1] C[C@H](CNC(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)[O-])-c1ccc(C=N[*:1])o1
COc1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)cc1 O=C([O-])[*:1] COc1ccc(cc1)/N=C/c1ccc(o1)-c1ccc(C)c(c1)[*:1]
CC(=O)N1CCC[C@H](Cc2nccnc2C(=O)NC2CCCCC2)C1 C1CCC(CC1)[*:1] CC(=O)N1CCC[C@H](Cc2nccnc2C(=O)N[*:1])C1
C[C@@H](CCCO)Nc1cc(C(=O)N(C)C)ccc1N C[C@@H](CCCO)[*:1] CN(C)C(=O)c1ccc(N)c(c1)N[*:1]
C[C@@H](CCCO)Nc1cc(C(=O)N(C)C)ccc1N CN(C)C(=O)[*:1] C[C@@H](CCCO)Nc1cc(ccc1N)[*:1]
C[C@@H](CCCO)Nc1cc(C(=O)N(C)C)ccc1N OCCC[*:1] C[C@@H](Nc1cc(ccc1N)C(=O)N(C)C)[*:1]
C[C@@H](CCCO)Nc1cc(C(=O)N(C)C)ccc1N OCC[*:1] C[C@@H](C[*:1])Nc1cc(ccc1N)C(=O)N(C)C
Cc1cc(NC(=O)[C@@H]2CCCO2)ccc1C(=O)OC(C)(C)C C1CO[C@@H](C1)[*:1] Cc1cc(ccc1C(=O)OC(C)(C)C)NC(=O)[*:1]
Cc1cc(NC(=O)[C@@H]2CCCO2)ccc1C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1cc(ccc1C(=O)O[*:1])NC(=O)[C@@H]1CCCO1
Cc1cc(NC(=O)[C@@H]2CCCO2)ccc1C(=O)OC(C)(C)C CC(C)(C)OC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@@H]1CCCO1
C#CCOC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C CC(C)[*:1] C#CCOC(=O)[C@H](NC(=O)c1ccccc1Cl)[*:1]
C#CCOC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C C#CCOC(=O)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1Cl)[*:1]
C#CCOC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C C#CC[*:1] CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[*:1]
O=c1o/c(=C\Cl)[nH]/c1=C\c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=c1o/c(=C\Cl)[nH]/c1=C\c1ccc(cc1)[*:1]
CN1CC[C@H](NC(=O)N(CCC(F)(F)F)C2CCC2)C1=O FC(F)(F)CC[*:1] CN1CC[C@H](NC(=O)N(C2CCC2)[*:1])C1=O
CN1CC[C@H](NC(=O)N(CCC(F)(F)F)C2CCC2)C1=O CN1CC[C@H](C1=O)[*:1] O=C(N[*:1])N(CCC(F)(F)F)C1CCC1
CN1CC[C@H](NC(=O)N(CCC(F)(F)F)C2CCC2)C1=O FC(F)(F)[*:1] CN1CC[C@H](NC(=O)N(CC[*:1])C2CCC2)C1=O
CN1CC[C@H](NC(=O)N(CCC(F)(F)F)C2CCC2)C1=O C1CC(C1)[*:1] CN1CC[C@H](NC(=O)N(CCC(F)(F)F)[*:1])C1=O
CN1CC[C@H](NC(=O)N(CCC(F)(F)F)C2CCC2)C1=O FC(F)(F)C[*:1] CN1CC[C@H](NC(=O)N(C[*:1])C2CCC2)C1=O
N#CCCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)CCCC2 N#CC[*:1] O=C(c1ccc2CCCCc2c1)N(CCC(F)(F)F)C[*:1]
N#CCCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)CCCC2 FC(F)(F)[*:1] N#CCCN(CC[*:1])C(=O)c1ccc2CCCCc2c1
N#CCCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)CCCC2 FC(F)(F)C[*:1] N#CCCN(C[*:1])C(=O)c1ccc2CCCCc2c1
N#CCCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)CCCC2 FC(F)(F)CC[*:1] N#CCCN(C(=O)c1ccc2CCCCc2c1)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)CCCC2 N#CCC[*:1] O=C(c1ccc2CCCCc2c1)N(CCC(F)(F)F)[*:1]
CCN(C)C(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(C)C(=O)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccc(C)cc1
CCN(C)C(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1cccc(OC)c1 Cc1ccc(cc1)[*:1] CCN(C)C(=O)[C@@H]1CN(C[C@@H]1c1cccc(c1)OC)C(=O)[*:1]
CCN(C)C(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1cccc(OC)c1 CCN(C)C(=O)[*:1] COc1cccc(c1)[C@H]1CN(C[C@H]1[*:1])C(=O)c1ccc(C)cc1
C[NH2+][C@H](C)c1ccc(Sc2ccncc2)cc1Cl c1cc(ccn1)[*:1] C[NH2+][C@H](C)c1ccc(cc1Cl)S[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccccc1)Cc1ccco1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccco1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)C[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccco1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccco1)C[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccccc1)C[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)C[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N(Cc1ccccc1)[*:1]
Cc1nc(-c2cccc(NC(=O)NCc3ncn(C)n3)c2)n[nH]1 Cn1cnc(n1)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)NC(=O)NC[*:1]
Cc1nc(-c2cccc(NC(=O)NCc3ncn(C)n3)c2)n[nH]1 Cn1cnc(C[*:1])n1 Cc1nc(n[nH]1)-c1cccc(c1)NC(=O)N[*:1]
Cc1nc(-c2cccc(NC(=O)NCc3ncn(C)n3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cn1cnc(CNC(=O)Nc2cccc(c2)[*:1])n1
CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 CCO[*:1] Cn1c(nnc1-c1ccncc1)SCC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 c1cc(ccn1)[*:1] CCOc1ccc(cc1)NC(=O)CSc1nnc(n1C)[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 CCC(CC)C(=O)N[*:1] O=C(NCc1ccccc1)c1ccc(cc1)[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCC(CC)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 CCC(CC)[*:1] O=C(NCc1ccccc1)c1ccc(cc1)NC(=O)[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCC(CC)C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
C=CCOCCCC(=O)N1C[C@H](C)Sc2ccccc21 C=CC[*:1] C[C@H]1CN(C(=O)CCCO[*:1])c2ccccc2S1
C=CCOCCCC(=O)N1C[C@H](C)Sc2ccccc21 C=CCOCC[*:1] C[C@H]1CN(C(=O)C[*:1])c2ccccc2S1
C=CCOCCCC(=O)N1C[C@H](C)Sc2ccccc21 C=CCOC[*:1] C[C@H]1CN(C(=O)CC[*:1])c2ccccc2S1
C=CCOCCCC(=O)N1C[C@H](C)Sc2ccccc21 C=CCO[*:1] C[C@H]1CN(C(=O)CCC[*:1])c2ccccc2S1
CCCNc1cc(CSc2nnnn2C)ccc1[N+](=O)[O-] CCC[*:1] Cn1nnnc1SCc1ccc(c(c1)N[*:1])[N+](=O)[O-]
CCCNc1cc(CSc2nnnn2C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCNc1cc(ccc1[*:1])CSc1nnnn1C
CCCNc1cc(CSc2nnnn2C)ccc1[N+](=O)[O-] Cn1nnnc1[*:1] CCCNc1cc(ccc1[N+](=O)[O-])CS[*:1]
CCCNc1cc(CSc2nnnn2C)ccc1[N+](=O)[O-] Cn1nnnc1S[*:1] CCCNc1cc(ccc1[N+](=O)[O-])C[*:1]
CCCNc1cc(CSc2nnnn2C)ccc1[N+](=O)[O-] CCCN[*:1] Cn1nnnc1SCc1ccc(c(c1)[*:1])[N+](=O)[O-]
C[C@H](NC(=O)C1(NS(C)(=O)=O)CCCCC1)C(=O)NC(C)(C)C CS(=O)(=O)N[*:1] C[C@H](NC(=O)C1(CCCCC1)[*:1])C(=O)NC(C)(C)C
C[C@H](NC(=O)C1(NS(C)(=O)=O)CCCCC1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](NC(=O)C1(CCCCC1)NS(C)(=O)=O)[*:1]
C[C@H](NC(=O)C1(NS(C)(=O)=O)CCCCC1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)C1(CCCCC1)NS(C)(=O)=O)C(=O)N[*:1]
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1Cl CCOC(=O)[*:1] COc1cc(Cl)c(cc1OC)[C@@H]1NC(=O)NC(C)=C1[*:1]
O=C(CSc1n[nH]c(N/N=C/c2ccco2)n1)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1ccco1)N[*:1]
O=C(CSc1n[nH]c(N/N=C/c2ccco2)n1)Nc1ccc(F)c(Cl)c1 C(=N/N[*:1])\c1ccco1 O=C(CSc1n[nH]c(n1)[*:1])Nc1ccc(F)c(Cl)c1
O=C(CSc1n[nH]c(N/N=C/c2ccco2)n1)Nc1ccc(F)c(Cl)c1 c1coc(c1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])Nc1ccc(F)c(Cl)c1
COC(=O)c1cc(-c2ccc(O)c(Cl)c2)ccc1Cl COC(=O)[*:1] Oc1ccc(cc1Cl)-c1ccc(Cl)c(c1)[*:1]
COc1ccc(CNC(=O)C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)C[NH+]1CCN(CC1)[*:1]
COc1ccc(CNC(=O)C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 CC(=O)[*:1] COc1ccc(cc1)CNC(=O)C[NH+]1CCN(CC1)c1ccc(cc1)[*:1]
COc1ccc(CNC(=O)C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 COc1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)N1CC[NH+](CC1)CC(=O)N[*:1]
COc1ccc(CNC(=O)C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1CC[NH+](CC1)CC(=O)NC[*:1]
C[C@@H](C(=O)[O-])n1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)n1 O=C([O-])[*:1] C[C@@H](n1ccc(n1)C(=O)N1CCN(CC1)Cc1cccc(F)c1)[*:1]
C[C@@H](C(=O)[O-])n1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)n1 Fc1cccc(c1)C[*:1] C[C@@H](C(=O)[O-])n1ccc(n1)C(=O)N1CCN(CC1)[*:1]
C[C@@H](C(=O)[O-])n1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)n1 Fc1cccc(c1)[*:1] C[C@@H](C(=O)[O-])n1ccc(n1)C(=O)N1CCN(CC1)C[*:1]
Cc1cncc(C(=O)Nc2ccccc2OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1cncc(c1)C(=O)Nc1ccccc1[*:1]
Cc1cncc(C(=O)Nc2ccccc2OC(C)(C)C)c1 Cc1cncc(c1)[*:1] CC(C)(C)Oc1ccccc1NC(=O)[*:1]
Cc1cncc(C(=O)Nc2ccccc2OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cncc(c1)C(=O)Nc1ccccc1O[*:1]
O=C(NCCCN1CCCc2ccccc21)c1cn(C2CCCCCC2)nn1 C1CCCC(CC1)[*:1] O=C(NCCCN1CCCc2ccccc21)c1cn(nn1)[*:1]
Cc1cc(Br)cnc1N1CCC[C@@H]1C[NH2+]C(C)C CC(C)[*:1] Cc1cc(Br)cnc1N1CCC[C@@H]1C[NH2+][*:1]
Clc1ccc(-n2nnnc2C2([NH+]3CCCC3)CCCCC2)cc1 Clc1ccc(cc1)[*:1] C1CCC(CC1)(c1nnnn1[*:1])[NH+]1CCCC1
NC(=O)c1cnc(NCC2(O)CCOCC2)c(Cl)c1 NC(=O)[*:1] OC1(CCOCC1)CNc1ncc(cc1Cl)[*:1]
CC1CCC(C(=O)c2ccnn2C)([NH+](C)C)CC1 Cn1nccc1[*:1] CC1CCC(CC1)(C(=O)[*:1])[NH+](C)C
COc1ccc(NC(=O)c2cccn2CC(=O)[O-])cc1F O=C([O-])C[*:1] COc1ccc(cc1F)NC(=O)c1cccn1[*:1]
COc1ccc(NC(=O)c2cccn2CC(=O)[O-])cc1F O=C([O-])[*:1] COc1ccc(cc1F)NC(=O)c1cccn1C[*:1]
Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@H](C)[NH+]3CCCCC3)CC1)N2 FC(F)[*:1] Cc1cc2N[C@@H](C[C@H](n2n1)[*:1])C1CCN(CC1)C(=O)[C@H](C)[NH+]1CCCCC1
COCCn1cc(NS(=O)(=O)CC(C)C)cn1 COC[*:1] CC(C)CS(=O)(=O)Nc1cnn(c1)C[*:1]
COCCn1cc(NS(=O)(=O)CC(C)C)cn1 COCC[*:1] CC(C)CS(=O)(=O)Nc1cnn(c1)[*:1]
COCCn1cc(NS(=O)(=O)CC(C)C)cn1 CC(C)[*:1] COCCn1cc(cn1)NS(=O)(=O)C[*:1]
COCCn1cc(NS(=O)(=O)CC(C)C)cn1 CC(C)C[*:1] COCCn1cc(cn1)NS(=O)(=O)[*:1]
COC(=O)CCN(Cc1csc(C)n1)C1CCOCC1 COC(=O)[*:1] Cc1nc(cs1)CN(CC[*:1])C1CCOCC1
COC(=O)CCN(Cc1csc(C)n1)C1CCOCC1 COC(=O)C[*:1] Cc1nc(cs1)CN(C[*:1])C1CCOCC1
COC(=O)CCN(Cc1csc(C)n1)C1CCOCC1 COC(=O)CC[*:1] Cc1nc(cs1)CN(C1CCOCC1)[*:1]
COC(=O)CCN(Cc1csc(C)n1)C1CCOCC1 Cc1nc(cs1)[*:1] COC(=O)CCN(C[*:1])C1CCOCC1
COC(=O)CCN(Cc1csc(C)n1)C1CCOCC1 C1CC(CCO1)[*:1] COC(=O)CCN(Cc1csc(C)n1)[*:1]
C[C@@H]1CCC[C@@H]([NH+]2CCN(c3ncccn3)CC2)C1 c1cnc(nc1)[*:1] C[C@@H]1CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
COc1ccc(C(C)(C)CC[NH2+]C(C)C)cc1Br CC(C)[*:1] COc1ccc(cc1Br)C(C)(C)CC[NH2+][*:1]
COc1ccccc1N1CCN(C[C@H](O)COc2ccccc2Br)CC1 Brc1ccccc1[*:1] COc1ccccc1N1CCN(CC1)C[C@H](O)CO[*:1]
COc1ccccc1N1CCN(C[C@H](O)COc2ccccc2Br)CC1 Brc1ccccc1O[*:1] COc1ccccc1N1CCN(CC1)C[C@H](O)C[*:1]
COc1ccccc1N1CCN(C[C@H](O)COc2ccccc2Br)CC1 COc1ccccc1[*:1] O[C@H](COc1ccccc1Br)CN1CCN(CC1)[*:1]
CCc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3C)N(C)C2=O)cc1 Cc1ccccc1[*:1] CCc1ccc(cc1)NC(=O)C[C@H]1SC(=N[*:1])N(C)C1=O
CCc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3C)N(C)C2=O)cc1 CCc1ccc(cc1)[*:1] Cc1ccccc1/N=C1\S[C@H](CC(=O)N[*:1])C(=O)N1C
CC(C)(C)c1ccc(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)CN1C(=O)NC(C1=O)(C1CC1)[*:1]
CC(C)(C)c1ccc(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)cc1 CC(C)(C)[*:1] O=C1NC(C(=O)N1Cc1ccc(cc1)[*:1])(C1CC1)C1CC1
COc1cc(N)ccc1NC(=O)COc1ccc(C(C)C)cc1 CC(C)[*:1] COc1cc(N)ccc1NC(=O)COc1ccc(cc1)[*:1]
COC(=O)c1cccc(OC(=O)CCc2nc3ccccc3s2)c1 COC(=O)[*:1] O=C(CCc1nc2ccccc2s1)Oc1cccc(c1)[*:1]
C[C@@H](c1nncn1C)n1cc(-c2ccc3c(c2)Cc2ccccc2-3)nn1 Cn1cnnc1[*:1] C[C@@H](n1cc(nn1)-c1ccc2c(c1)Cc1ccccc1-2)[*:1]
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(C(=O)OC)c1 CC[C@@H](C)[*:1] COC(=O)c1cccc(c1)C(=O)Nc1ccccc1C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(C(=O)OC)c1 COC(=O)[*:1] CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(c1)[*:1]
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(C(=O)OC)c1 CC[C@@H](C)NC(=O)[*:1] COC(=O)c1cccc(c1)C(=O)Nc1ccccc1[*:1]
N#CC[C@@]1(O)CCCc2ccccc21 N#CC[*:1] O[C@]1(CCCc2ccccc21)[*:1]
C=CC[C@H](/C=C/CCC)OCC CCC[*:1] C=CC[C@H](C=C[*:1])OCC
C=CC[C@H](/C=C/CCC)OCC C=CC[*:1] CCC/C=C/[C@H](OCC)[*:1]
C=CC[C@H](/C=C/CCC)OCC CCO[*:1] C=CC[C@H](/C=C/CCC)[*:1]
C[C@@H](CCc1ccccc1)Nc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-] c1ccc(cc1)C[*:1] C[C@@H](C[*:1])Nc1cc(ccc1[N+](=O)[O-])N1CC[NH2+]CC1
C[C@@H](CCc1ccccc1)Nc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](CCc1ccccc1)Nc1cc(ccc1[*:1])N1CC[NH2+]CC1
C[C@@H](CCc1ccccc1)Nc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-] c1ccc(cc1)CC[*:1] C[C@@H](Nc1cc(ccc1[N+](=O)[O-])N1CC[NH2+]CC1)[*:1]
C[C@@H](CCc1ccccc1)Nc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-] c1ccc(cc1)[*:1] C[C@@H](CC[*:1])Nc1cc(ccc1[N+](=O)[O-])N1CC[NH2+]CC1
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1cccc(F)c1 O=[N+]([O-])[*:1] O=C(Cn1c(=O)oc2cc(ccc21)[*:1])NCc1cccc(F)c1
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cn1c(=O)oc2cc(ccc21)[N+](=O)[O-])NC[*:1]
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(Cn1c(=O)oc2cc(ccc21)[N+](=O)[O-])N[*:1]
Cc1noc(C2CC[NH+](C3CCC(c4ccc(O)cc4)CC3)CC2)n1 Oc1ccc(cc1)[*:1] Cc1noc(n1)C1CC[NH+](CC1)C1CCC(CC1)[*:1]
Cc1noc(C2CC[NH+](C3CCC(c4ccc(O)cc4)CC3)CC2)n1 Cc1noc(n1)[*:1] Oc1ccc(cc1)C1CCC(CC1)[NH+]1CCC(CC1)[*:1]
COc1ccc2cc(CNC(=O)N[C@@H](C)c3ccccc3)ccc2c1 c1ccc(cc1)[*:1] COc1ccc2cc(ccc2c1)CNC(=O)N[C@@H](C)[*:1]
COc1ccc2cc(CNC(=O)N[C@@H](C)c3ccccc3)ccc2c1 C[C@@H](c1ccccc1)[*:1] COc1ccc2cc(ccc2c1)CNC(=O)N[*:1]
CO[C@@H](C)/C(N)=N/OCC(=O)NC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] CO[C@@H](C)/C(N)=N/OCC(=O)NC1(CCC1)[*:1]
C[NH+](C)[C@@H](CNc1oc(-c2ccco2)nc1C#N)c1ccccc1Cl c1coc(c1)[*:1] C[NH+](C)[C@@H](CNc1oc(nc1C#N)[*:1])c1ccccc1Cl
C[NH+](C)[C@@H](CNc1oc(-c2ccco2)nc1C#N)c1ccccc1Cl Clc1ccccc1[*:1] C[NH+](C)[C@@H](CNc1oc(nc1C#N)-c1ccco1)[*:1]
NC(=O)[C@@H]1C2=C(CCC2)S[C@H]1NC(=O)CCC1=c2ccccc2=[NH+]C1 NC(=O)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N[C@@H]1SC2CCCC=2[C@H]1[*:1]
C[C@H](CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] C[C@H](CC(=O)NNC(=O)c1cncn1[*:1])c1ccccc1
C[C@H](CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccccc1 C[C@H](C[*:1])c1ccccc1 O=C(NNC(=O)[*:1])c1cncn1-c1ccc(F)cc1
C[C@H](CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(C[*:1])NNC(=O)c1cncn1-c1ccc(F)cc1
C[C@H](CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1)[*:1]
Cc1ccc(Cn2nc(C)c(C(=O)N3CCN(CCOc4ccccc4)CC3)c2Cl)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)N1CCN(CCOc2ccccc2)CC1
Cc1ccc(Cn2nc(C)c(C(=O)N3CCN(CCOc4ccccc4)CC3)c2Cl)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)N1CCN(CCOc2ccccc2)CC1)[*:1]
Cc1ccc(Cn2nc(C)c(C(=O)N3CCN(CCOc4ccccc4)CC3)c2Cl)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1nc(C)c(C(=O)N2CCN(CCO[*:1])CC2)c1Cl
Cc1ccc(Cn2nc(C)c(C(=O)N3CCN(CCOc4ccccc4)CC3)c2Cl)cc1 c1ccc(cc1)OCC[*:1] Cc1ccc(cc1)Cn1nc(C)c(C(=O)N2CCN(CC2)[*:1])c1Cl
Cc1ccc(Cn2nc(C)c(C(=O)N3CCN(CCOc4ccccc4)CC3)c2Cl)cc1 c1ccc(cc1)O[*:1] Cc1ccc(cc1)Cn1nc(C)c(C(=O)N2CCN(CC2)CC[*:1])c1Cl
Cc1ccc(Cn2nc(C)c(C(=O)N3CCN(CCOc4ccccc4)CC3)c2Cl)cc1 c1ccc(cc1)OC[*:1] Cc1ccc(cc1)Cn1nc(C)c(C(=O)N2CCN(CC2)C[*:1])c1Cl
CCc1ccc(CN(C)CCc2nccs2)o1 c1csc(n1)[*:1] CCc1ccc(CN(C)CC[*:1])o1
Cc1cc2nc(C3CCN(C(=O)Cn4ccnc4)CC3)cc(C(F)(F)F)n2n1 c1cn(cn1)C[*:1] Cc1cc2nc(cc(n2n1)C(F)(F)F)C1CCN(CC1)C(=O)[*:1]
Cc1cc2nc(C3CCN(C(=O)Cn4ccnc4)CC3)cc(C(F)(F)F)n2n1 FC(F)(F)[*:1] Cc1cc2nc(cc(n2n1)[*:1])C1CCN(CC1)C(=O)Cn1ccnc1
Cc1cc2nc(C3CCN(C(=O)Cn4ccnc4)CC3)cc(C(F)(F)F)n2n1 c1cn(cn1)[*:1] Cc1cc2nc(cc(n2n1)C(F)(F)F)C1CCN(CC1)C(=O)C[*:1]
Nc1nc(SCC(=O)N(CCO)CCO)nc2sc3c(c12)CCCC3 OCC[*:1] Nc1nc(nc2sc3CCCCc3c12)SCC(=O)N(CCO)[*:1]
COc1ccc2c(c1)=C[C@@H](CN(C)C(=O)[C@H]1CCCO1)C(=O)[NH+]=2 C1CO[C@H](C1)[*:1] COc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C)C(=O)[*:1]
Cc1nc(C(=O)N[C@H](CCC(N)=O)C(=O)[O-])ccc1C#N NC(=O)[*:1] Cc1nc(ccc1C#N)C(=O)N[C@H](CC[*:1])C(=O)[O-]
Cc1nc(C(=O)N[C@H](CCC(N)=O)C(=O)[O-])ccc1C#N NC(=O)CC[*:1] Cc1nc(ccc1C#N)C(=O)N[C@H](C(=O)[O-])[*:1]
Cc1nc(C(=O)N[C@H](CCC(N)=O)C(=O)[O-])ccc1C#N O=C([O-])[*:1] Cc1nc(ccc1C#N)C(=O)N[C@H](CCC(N)=O)[*:1]
Cc1nc(C(=O)N[C@H](CCC(N)=O)C(=O)[O-])ccc1C#N NC(=O)C[*:1] Cc1nc(ccc1C#N)C(=O)N[C@H](C[*:1])C(=O)[O-]
O=C(CCNC(=O)c1cccc2ccoc12)NC1CC1 C1CC1[*:1] O=C(CCNC(=O)c1cccc2ccoc12)N[*:1]
O=C(CCNC(=O)c1cccc2ccoc12)NC1CC1 O=C(NC1CC1)[*:1] O=C(NCC[*:1])c1cccc2ccoc12
Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1cccc(N2CCOC2=O)c1 Cc1noc(C)c1[*:1] C[C@@H](NC[C@H](C)[*:1])c1cccc(c1)N1CCOC1=O
Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1cccc(c1)[*:1]
Cc1cccc([C@H]2CCCCN2C(=O)c2cscn2)c1C c1nc(cs1)[*:1] Cc1cccc(c1C)[C@H]1CCCCN1C(=O)[*:1]
CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2ncccn2)cc1 c1cnc(nc1)S[*:1] CC(=O)Nc1ccc(cc1)C(=O)[C@H](C)[*:1]
CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2ncccn2)cc1 c1cnc(nc1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)[C@H](C)S[*:1]
CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2ncccn2)cc1 CC(=O)N[*:1] C[C@H](Sc1ncccn1)C(=O)c1ccc(cc1)[*:1]
CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(N)=O c1ccc(cc1)[*:1] CCn1nc(C)c2c1c(=O)n(C[*:1])c(=O)n2CC(N)=O
CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(N)=O NC(=O)C[*:1] CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2[*:1]
CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(N)=O NC(=O)[*:1] CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2C[*:1]
CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(N)=O c1ccc(cc1)C[*:1] CCn1nc(C)c2c1c(=O)n(c(=O)n2CC(N)=O)[*:1]
N#Cc1ccc(NC(=O)COc2cccc3c2CCC[C@H]3O)cc1 N#Cc1ccc(cc1)[*:1] O=C(COc1cccc2c1CCC[C@H]2O)N[*:1]
CCCOc1ccc(NC(=O)c2ccccc2I)cc1 CCC[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccccc1I
CCCOc1ccc(NC(=O)c2ccccc2I)cc1 CCCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1I
O=C(NCCN1CCOCC1)c1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)c1nc(no1)[*:1]
O=C(NCCN1CCOCC1)c1nc(-c2ccc(F)cc2)no1 C1CN(CCO1)[*:1] O=C(NCC[*:1])c1nc(no1)-c1ccc(F)cc1
O=C(NCCN1CCOCC1)c1nc(-c2ccc(F)cc2)no1 C1CN(CCO1)C[*:1] O=C(NC[*:1])c1nc(no1)-c1ccc(F)cc1
O=C1c2ccccc2C(=O)N1c1ccccc1-c1nnc(-c2ccccc2)c([O-])n1 c1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1c1ccccc1-c1nnc(c([O-])n1)[*:1]
O=S(=O)(NC[C@@H](c1ccco1)N1CCOCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](c1ccco1)N1CCOCC1)[*:1]
O=S(=O)(NC[C@@H](c1ccco1)N1CCOCC1)c1ccc(Cl)cc1 c1coc(c1)[*:1] O=S(=O)(NC[C@@H](N1CCOCC1)[*:1])c1ccc(Cl)cc1
O=S(=O)(NC[C@@H](c1ccco1)N1CCOCC1)c1ccc(Cl)cc1 C1CN(CCO1)[*:1] O=S(=O)(NC[C@@H](c1ccco1)[*:1])c1ccc(Cl)cc1
N#C/C(=C/c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 Clc1ccc(cc1)[*:1] N#C/C(=C/c1cccc(F)c1)c1nc(cs1)[*:1]
N#C/C(=C/c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 Fc1cccc(c1)[*:1] N#CC(=C[*:1])c1nc(cs1)-c1ccc(Cl)cc1
Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)cc1 Cc1ccc(cc1)[*:1] O=c1[nH]c(CN2CCN(CC2)S(=O)(=O)[*:1])nc2ccc(Cl)cc12
C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1c(-c2cccnc2)noc1=O c1cncc(c1)[*:1] C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1c(noc1=O)[*:1]
CCc1cccc(C)c1NC(=O)[C@H](C)O/N=C(/N)c1cccs1 c1csc(c1)[*:1] CCc1cccc(C)c1NC(=O)[C@H](C)O/N=C(/N)[*:1]
O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1ccc2c(c1)OC1(CCCCC1)O2 C1CC1[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])Nc1ccc2OC3(CCCCC3)Oc2c1
O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1ccc2c(c1)OC1(CCCCC1)O2 O=C(N[*:1])C1CC1 O=C(Cc1csc(n1)[*:1])Nc1ccc2OC3(CCCCC3)Oc2c1
CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)c(F)c1 CSc1ccccc1[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc(F)c(F)c1
CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CSc1ccccc1NC(=O)CN(C)S(=O)(=O)[*:1]
N#C/C(=C/c1ccccc1C(F)(F)F)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C/C(=C/c1ccccc1C(F)(F)F)[*:1]
N#C/C(=C/c1ccccc1C(F)(F)F)c1ccc(F)cn1 FC(F)(F)[*:1] N#C/C(=C/c1ccccc1[*:1])c1ccc(F)cn1
O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCC[C@@H](C1)[*:1]
CC1=C2C(=O)N=C(COC(=O)[C@@H](NC(=O)[C@@H]3CC=CO3)C(C)C)N=C2S[C@@H]1C CC(C)[*:1] CC1=C2C(=O)N=C(COC(=O)[C@@H](NC(=O)[C@@H]3CC=CO3)[*:1])N=C2S[C@@H]1C
O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 Clc1ccc(cc1)[*:1] O=C(N[C@@H](c1ccsc1)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1cccc(c1)[*:1]
O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 c1cc(cs1)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
Cn1cnnc1SCC(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] Cn1cnnc1SCC(=O)Nc1ccccc1O[*:1]
Cn1cnnc1SCC(=O)Nc1ccccc1Oc1ccccc1 Cn1cnnc1[*:1] O=C(CS[*:1])Nc1ccccc1Oc1ccccc1
Cn1cnnc1SCC(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] Cn1cnnc1SCC(=O)Nc1ccccc1[*:1]
Cn1cnnc1SCC(=O)Nc1ccccc1Oc1ccccc1 Cn1cnnc1SC[*:1] O=C(Nc1ccccc1Oc1ccccc1)[*:1]
Cn1cnnc1SCC(=O)Nc1ccccc1Oc1ccccc1 Cn1cnnc1S[*:1] O=C(C[*:1])Nc1ccccc1Oc1ccccc1
CNc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)ccn1 c1nc(cs1)C[*:1] CNc1cc(ccn1)C(=O)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
CNc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)ccn1 c1nc(cs1)[*:1] CNc1cc(ccn1)C(=O)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
CNc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)ccn1 CNc1cc(ccn1)[*:1] O=C1[C@H]2CC[C@H](CN(C2)C(=O)[*:1])N1Cc1cscn1
CN(CCNS(C)(=O)=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 CS(=O)(=O)NC[*:1] CN(C[*:1])C(=O)Nc1ccc2nc(oc2c1)C1CC1
CN(CCNS(C)(=O)=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] CN(CCNS(C)(=O)=O)C(=O)Nc1ccc2nc(oc2c1)[*:1]
CN(CCNS(C)(=O)=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 CS(=O)(=O)N[*:1] CN(CC[*:1])C(=O)Nc1ccc2nc(oc2c1)C1CC1
CN(CCNS(C)(=O)=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 CS(=O)(=O)NCC[*:1] CN(C(=O)Nc1ccc2nc(oc2c1)C1CC1)[*:1]
C#CCN(CCC(=O)NC(N)=O)Cc1ccc(F)cc1 C#CC[*:1] NC(=O)NC(=O)CCN(Cc1ccc(F)cc1)[*:1]
C#CCN(CCC(=O)NC(N)=O)Cc1ccc(F)cc1 NC(=O)NC(=O)[*:1] C#CCN(CC[*:1])Cc1ccc(F)cc1
C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H](O)c3ccncc3)CC2)C1 C[C@@H]1CCC[C@@H](C1)[*:1] O[C@@H](C[NH2+]C1CCN(CC1)[*:1])c1ccncc1
C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H](O)c3ccncc3)CC2)C1 c1cc(ccn1)[*:1] C[C@@H]1CCC[C@H](C1)N1CCC(CC1)[NH2+]C[C@H](O)[*:1]
Cc1ccccc1NC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C c1cncc(c1)[*:1] Cc1ccccc1NC(=O)N[C@H](c1nc(no1)[*:1])C(C)C
Cc1ccccc1NC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)N[*:1])c1nc(no1)-c1cccnc1
Cc1ccccc1NC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C CC(C)[*:1] Cc1ccccc1NC(=O)N[C@H](c1nc(no1)-c1cccnc1)[*:1]
COc1cccc(N2CCC[C@@H](NC(=O)C#Cc3ccccc3)C2)c1 COc1cccc(c1)[*:1] O=C(C#Cc1ccccc1)N[C@@H]1CCCN(C1)[*:1]
COc1cccc(N2CCC[C@@H](NC(=O)C#Cc3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1CCC[C@H](C1)NC(=O)C#C[*:1]
COc1cccc(N2CCC[C@@H](NC(=O)C#Cc3ccccc3)C2)c1 C(#C[*:1])c1ccccc1 COc1cccc(c1)N1CCC[C@H](C1)NC(=O)[*:1]
C[C@H](NC(=O)C1CCN(c2ncccc2-n2cccc2)CC1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ncccc1-n1cccc1
C[C@H](NC(=O)C1CCN(c2ncccc2-n2cccc2)CC1)c1ccccc1 c1ccn(c1)[*:1] C[C@H](NC(=O)C1CCN(CC1)c1ncccc1[*:1])c1ccccc1
C[C@H](NC(=O)C1CCN(c2ncccc2-n2cccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C1CCN(CC1)c1ncccc1-n1cccc1)[*:1]
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)N[C@@H]1c1ccccc1 COC(=O)[*:1] COc1ccc(cc1)N1C(=O)N[C@@H](C(=C1C)[*:1])c1ccccc1
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)N[C@@H]1c1ccccc1 COc1ccc(cc1)[*:1] COC(=O)C1=C(C)N(C(=O)N[C@@H]1c1ccccc1)[*:1]
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)N[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C1=C(C)N(C(=O)N[C@H]1[*:1])c1ccc(cc1)OC
COc1cccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c1 COc1cccc(c1)[*:1] O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[*:1]
Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 Cc1noc(C)c1C[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(c1)O[*:1]
Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 Cc1noc(C)c1CO[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(c1)[*:1]
Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 Cc1noc(C)c1[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(c1)OC[*:1]
CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)NC2CC2)cc1 C1CC1[*:1] CC(C)(C)c1cc[n+](cc1)/C(C(=O)c1ccc(F)c(F)c1)=C(/S)N[*:1]
CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)NC2CC2)cc1 Fc1ccc(cc1F)[*:1] CC(C)(C)c1cc[n+](cc1)/C(C(=O)[*:1])=C(/S)NC1CC1
CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)NC2CC2)cc1 C1CC1N[*:1] CC(C)(C)c1cc[n+](cc1)/C(C(=O)c1ccc(F)c(F)c1)=C(/S)[*:1]
CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(F)c(F)c2)=C(/S)NC2CC2)cc1 CC(C)(C)[*:1] O=C(/C(=C(\S)NC1CC1)[n+]1ccc(cc1)[*:1])c1ccc(F)c(F)c1
O=[N+]([O-])c1ccc(Cl)c(/C=N/n2cnnc2)c1 O=[N+]([O-])[*:1] Clc1ccc(cc1/C=N/n1cnnc1)[*:1]
COC[C@@](C)(O)CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 COC[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@](C)(O)[*:1]
COC[C@@](C)(O)CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC[C@@](C)(O)CNC(=O)C(C)(C)O[*:1]
Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCNC3=O)cc2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)N1CCNC1=O)[*:1]
Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCNC3=O)cc2)o1 O=C1NCCN1[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
CCN[C@@]1(C#N)CCC[C@@H](Oc2ccc(F)cc2)C1 CCN[*:1] N#C[C@]1(CCC[C@H](C1)Oc1ccc(F)cc1)[*:1]
COC(=O)[C@]1([NH3+])CCC[C@H](N(CC(F)(F)F)C2CC2)C1 FC(F)(F)[*:1] COC(=O)[C@]1([NH3+])CCC[C@@H](C1)N(C[*:1])C1CC1
COC(=O)[C@]1([NH3+])CCC[C@H](N(CC(F)(F)F)C2CC2)C1 C1CC1[*:1] COC(=O)[C@]1([NH3+])CCC[C@@H](C1)N(CC(F)(F)F)[*:1]
COC(=O)[C@]1([NH3+])CCC[C@H](N(CC(F)(F)F)C2CC2)C1 COC(=O)[*:1] [NH3+][C@@]1(CCC[C@@H](C1)N(CC(F)(F)F)C1CC1)[*:1]
COC(=O)[C@]1([NH3+])CCC[C@H](N(CC(F)(F)F)C2CC2)C1 FC(F)(F)C[*:1] COC(=O)[C@]1([NH3+])CCC[C@@H](C1)N(C1CC1)[*:1]
CC(C)n1cnnc1CNC(=O)Cc1ccc(F)c(F)c1 CC(C)[*:1] O=C(Cc1ccc(F)c(F)c1)NCc1nncn1[*:1]
C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)CCC1=O O=C1CCC(=O)N1[*:1] C[C@@H](C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)CCC1=O FC(F)(F)[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])N1C(=O)CCC1=O
COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] COc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1[*:1]
COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[*:1]
COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)[*:1]
Cc1nnc(COC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)o1 Cc1nnc(o1)[*:1] C[C@@H]1CN(Cc2ccc(cc2)C(=O)OC[*:1])C[C@@H](C)O1
Cc1nnc(COC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)o1 Cc1nnc(C[*:1])o1 C[C@@H]1CN(Cc2ccc(cc2)C(=O)O[*:1])C[C@@H](C)O1
CCCCN1C(=O)N(c2cc(C)ccc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 CCC[*:1] Cc1ccc(C)c(c1)N1C(=O)N(C[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CCCCN1C(=O)N(c2cc(C)ccc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 CCCC[*:1] Cc1ccc(C)c(c1)N1C(=O)N([C@H]2CS(=O)(=O)C[C@H]21)[*:1]
CCOc1ccc([C@H]([NH2+]C)c2ccoc2)c(Br)c1 c1cc(co1)[*:1] CCOc1ccc(c(Br)c1)[C@H]([NH2+]C)[*:1]
CCOc1ccc([C@H]([NH2+]C)c2ccoc2)c(Br)c1 CCO[*:1] C[NH2+][C@H](c1ccoc1)c1ccc(cc1Br)[*:1]
Cc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)s2)c(C)c1 Cc1ccc(N[*:1])c(C)c1 NC(=O)c1c(NC(=O)CSc2nnc(s2)[*:1])sc2CCCc21
Cc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)s2)c(C)c1 Cc1ccc(c(C)c1)[*:1] NC(=O)c1c(NC(=O)CSc2nnc(N[*:1])s2)sc2CCCc21
Cc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)s2)c(C)c1 NC(=O)[*:1] Cc1ccc(Nc2nnc(SCC(=O)Nc3sc4CCCc4c3[*:1])s2)c(C)c1
Cc1n[nH]c(SCC(=O)N2CCN([C@H](C)c3ccccc3)CC2)n1 C[C@H](c1ccccc1)[*:1] Cc1n[nH]c(n1)SCC(=O)N1CCN(CC1)[*:1]
Cc1n[nH]c(SCC(=O)N2CCN([C@H](C)c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1n[nH]c(n1)SCC(=O)N1CCN(CC1)[C@H](C)[*:1]
Cc1n[nH]c(SCC(=O)N2CCN([C@H](C)c3ccccc3)CC2)n1 Cc1n[nH]c(n1)[*:1] C[C@H](c1ccccc1)N1CCN(CC1)C(=O)CS[*:1]
CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@@H]1C[*:1]
CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@H]1[*:1]
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] COc1cc2CCN(C(=O)Nc3ccccc3)[C@@H](c2cc1OC)[*:1]
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1c2cc(OC)c(cc2CCN1C(=O)N[*:1])OC
Cc1cccn2c(=O)cc(C[NH+](C)CC(=O)[O-])nc12 O=C([O-])[*:1] Cc1cccn2c(=O)cc(C[NH+](C)C[*:1])nc12
Cc1cccc2oc(CNCC(F)(F)F)nc12 FC(F)(F)[*:1] Cc1cccc2oc(CNC[*:1])nc12
Cc1cccc2oc(CNCC(F)(F)F)nc12 FC(F)(F)C[*:1] Cc1cccc2oc(CN[*:1])nc12
Cc1ccc(-c2nnc(CCC(=O)NCC[C@H]3C[C@H]4CC[C@@H]3C4)o2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1nnc(o1)[*:1])NCC[C@H]1C[C@H]2CC[C@@H]1C2
C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3ccoc3)CC2)C1 c1cc(co1)[*:1] C[C@@H]1CCC[C@H](C1)[NH+]1CCN(CC1)C(=O)[*:1]
O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1Cc1cccnc1 c1cncc(c1)C[*:1] O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1[*:1]
O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1Cc1cccnc1 Fc1ccccc1C[*:1] O=C1CC[C@H](CC[NH2+][*:1])N1Cc1cccnc1
O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1Cc1cccnc1 Fc1ccccc1[*:1] O=C1CC[C@H](CC[NH2+]C[*:1])N1Cc1cccnc1
O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1Cc1cccnc1 c1cncc(c1)[*:1] O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1C[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N(CC(C)C)CC(F)(F)F FC(F)(F)[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N(CC(C)C)C[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N(CC(C)C)CC(F)(F)F CC(C)C[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N(CC(F)(F)F)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N(CC(C)C)CC(F)(F)F FC(F)(F)C[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N(CC(C)C)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N(CC(C)C)CC(F)(F)F CC(C)[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N(CC(F)(F)F)C[*:1]
Nc1cc2c(=O)[nH]cnc2cc1NCCC(=O)NC1CC1 O=C(C[*:1])NC1CC1 Nc1cc2c(=O)[nH]cnc2cc1NC[*:1]
Nc1cc2c(=O)[nH]cnc2cc1NCCC(=O)NC1CC1 C1CC1[*:1] Nc1cc2c(=O)[nH]cnc2cc1NCCC(=O)N[*:1]
Nc1cc2c(=O)[nH]cnc2cc1NCCC(=O)NC1CC1 O=C(NC1CC1)[*:1] Nc1cc2c(=O)[nH]cnc2cc1NCC[*:1]
O=C(Nc1cccc(C(=O)Nc2nccs2)c1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O c1csc(n1)[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])c1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1
O=C(Nc1cccc(C(=O)Nc2nccs2)c1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O O=C(Nc1nccs1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1
CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CSc1ccc(cc1[*:1])S(=O)(=O)N[C@@H](C)c1ccccc1
CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)N1CCCC1 c1ccc(cc1)[*:1] CSc1ccc(cc1C(=O)N1CCCC1)S(=O)(=O)N[C@@H](C)[*:1]
CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)N1CCCC1 C[C@@H](c1ccccc1)[*:1] CSc1ccc(cc1C(=O)N1CCCC1)S(=O)(=O)N[*:1]
CCC1(C[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)CC1 CCC1(CC1)[*:1] Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[*:1])c1C
CN(C)c1nc(-c2ccccc2)c(CN2CCOC3(CCOCC3)C2)s1 CN(C)[*:1] c1ccc(cc1)-c1nc(sc1CN1CCOC2(CCOCC2)C1)[*:1]
CN(C)c1nc(-c2ccccc2)c(CN2CCOC3(CCOCC3)C2)s1 c1ccc(cc1)[*:1] CN(C)c1nc(c(CN2CCOC3(CCOCC3)C2)s1)[*:1]
CC(C)C[C@H](NC(=O)c1cc(Cl)nnc1Cl)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](NC(=O)c1cc(Cl)nnc1Cl)[*:1]
CC(C)C[C@H](NC(=O)c1cc(Cl)nnc1Cl)C(=O)[O-] CC(C)[*:1] O=C(N[C@@H](C[*:1])C(=O)[O-])c1cc(Cl)nnc1Cl
CC(C)C[C@H](NC(=O)c1cc(Cl)nnc1Cl)C(=O)[O-] CC(C)C[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1cc(Cl)nnc1Cl
Cn1c(-c2ccccn2)nn(CCNC(=O)c2ccco2)c1=O c1ccc(nc1)[*:1] Cn1c(nn(CCNC(=O)c2ccco2)c1=O)[*:1]
Cn1c(-c2ccccn2)nn(CCNC(=O)c2ccco2)c1=O c1coc(c1)[*:1] Cn1c(nn(CCNC(=O)[*:1])c1=O)-c1ccccn1
CC[C@](C)([NH3+])CN(Cc1cccs1)C(C)C CC(C)[*:1] CC[C@](C)([NH3+])CN(Cc1cccs1)[*:1]
CC[C@](C)([NH3+])CN(Cc1cccs1)C(C)C c1csc(c1)[*:1] CC[C@](C)([NH3+])CN(C[*:1])C(C)C
Cc1ccc(-n2nnc(C(=O)N[C@@H](C)c3ccccc3)c2C)cc1F C[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1F)-n1nnc(C(=O)N[*:1])c1C
Cc1ccc(-n2nnc(C(=O)N[C@@H](C)c3ccccc3)c2C)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)-n1nnc(C(=O)N[C@@H](C)[*:1])c1C
Cc1ccc(-n2nnc(C(=O)N[C@@H](C)c3ccccc3)c2C)cc1F Cc1ccc(cc1F)[*:1] Cc1c(nnn1[*:1])C(=O)N[C@@H](C)c1ccccc1
CCC(CC)NC(=O)NNC(=O)Cc1ccncc1 CCC(CC)[*:1] O=C(Cc1ccncc1)NNC(=O)N[*:1]
CCC(CC)NC(=O)NNC(=O)Cc1ccncc1 c1cc(ccn1)[*:1] CCC(CC)NC(=O)NNC(=O)C[*:1]
O=C([C@H]1CC(c2ccccc2)=NO1)N1CCCSc2ccccc21 c1ccc(cc1)[*:1] O=C([C@H]1CC(=NO1)[*:1])N1CCCSc2ccccc21
CC(=O)NCCc1nc(CCc2ccccc2)nn1-c1ccccn1 c1ccc(cc1)[*:1] CC(=O)NCCc1nc(CC[*:1])nn1-c1ccccn1
CC(=O)NCCc1nc(CCc2ccccc2)nn1-c1ccccn1 CC(=O)N[*:1] c1ccc(cc1)CCc1nc(CC[*:1])n(n1)-c1ccccn1
CC(=O)NCCc1nc(CCc2ccccc2)nn1-c1ccccn1 CC(=O)NCC[*:1] c1ccc(cc1)CCc1nc(n(n1)-c1ccccn1)[*:1]
CC(=O)NCCc1nc(CCc2ccccc2)nn1-c1ccccn1 CC(=O)NC[*:1] c1ccc(cc1)CCc1nc(C[*:1])n(n1)-c1ccccn1
CC(=O)NCCc1nc(CCc2ccccc2)nn1-c1ccccn1 c1ccc(nc1)[*:1] CC(=O)NCCc1nc(CCc2ccccc2)nn1[*:1]
CC(=O)NCCc1nc(CCc2ccccc2)nn1-c1ccccn1 c1ccc(cc1)C[*:1] CC(=O)NCCc1nc(C[*:1])nn1-c1ccccn1
CC(=O)NCCc1nc(CCc2ccccc2)nn1-c1ccccn1 c1ccc(cc1)CC[*:1] CC(=O)NCCc1nc(nn1-c1ccccn1)[*:1]
CCCc1ccc([C@@H](O)[C@@](C)(CC)[NH+](C)C)cc1 CCC[*:1] CC[C@](C)([C@H](O)c1ccc(cc1)[*:1])[NH+](C)C
CCCN1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 CCC[*:1] O=C(CSc1nnc(o1)-c1ccc(Cl)cc1Cl)N1CCN(CC1)[*:1]
CCCN1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 Clc1ccc(c(Cl)c1)[*:1] CCCN1CCN(CC1)C(=O)CSc1nnc(o1)[*:1]
COc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)CN(C(=O)N[*:1])[C@H]1CC(=O)N(C1=O)c1ccc(cc1)OC
COc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)CN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(C1=O)[*:1]
COc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C[C@@H](C1=O)N(C[*:1])C(=O)Nc1ccc(Cl)cc1
COc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 COc1ccc(cc1)C[*:1] COc1ccc(cc1)N1C(=O)C[C@@H](C1=O)N(C(=O)Nc1ccc(Cl)cc1)[*:1]
CC(C)c1nn(C)c2sc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc12 CC(C)[*:1] Cn1nc(c2cc(sc21)C(=O)N1CCO[C@H](C1)c1ccccc1)[*:1]
CC(C)c1nn(C)c2sc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc12 c1ccc(cc1)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N1CCO[C@@H](C1)[*:1]
CCc1c(C(=O)NCc2ccco2)c(C)nn1-c1ccccc1C c1coc(c1)[*:1] CCc1c(C(=O)NC[*:1])c(C)nn1-c1ccccc1C
CCc1c(C(=O)NCc2ccco2)c(C)nn1-c1ccccc1C c1coc(c1)C[*:1] CCc1c(C(=O)N[*:1])c(C)nn1-c1ccccc1C
CCc1c(C(=O)NCc2ccco2)c(C)nn1-c1ccccc1C Cc1ccccc1[*:1] CCc1c(C(=O)NCc2ccco2)c(C)nn1[*:1]
COc1ccc(NC(=O)Cc2cc(C)on2)cc1C Cc1cc(no1)[*:1] COc1ccc(cc1C)NC(=O)C[*:1]
CCNC(=O)N1CCCN(c2nccs2)CC1 c1csc(n1)[*:1] CCNC(=O)N1CCCN(CC1)[*:1]
Cc1ccnc(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)c1 Cc1ccnc(c1)[*:1] C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[*:1]
COc1ccc(F)cc1C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] COc1ccc(F)cc1C(=O)N(C)c1ccc(cc1)[*:1]
Cc1ccc(OCCC/C([O-])=N/S(=O)(=O)c2cccnc2)cc1C Cc1ccc(cc1C)[*:1] O=S(=O)(/N=C(\[O-])CCCO[*:1])c1cccnc1
Cc1ccc(OCCC/C([O-])=N/S(=O)(=O)c2cccnc2)cc1C c1cncc(c1)[*:1] Cc1ccc(cc1C)OCCC/C([O-])=N/S(=O)(=O)[*:1]
O=C(NCC1CCC1)c1c(F)c(F)c(F)c(F)c1F C1CC(C1)[*:1] O=C(NC[*:1])c1c(F)c(F)c(F)c(F)c1F
O=C(NCC1CCC1)c1c(F)c(F)c(F)c(F)c1F C1CC(C1)C[*:1] O=C(N[*:1])c1c(F)c(F)c(F)c(F)c1F
Cc1nc(C(C)(C)NC(=O)CC2CCCC2)sc1C C1CCC(C1)C[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)[*:1]
Cc1nc(C(C)(C)NC(=O)CC2CCCC2)sc1C C1CCC(C1)[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)C[*:1]
CSc1nc2n(n1)[C@@H](c1cc[nH]c1)C1=C(CC(C)(C)CC1=O)N2 c1cc(c[nH]1)[*:1] CSc1nc2NC3CC(C)(C)CC(=O)C=3[C@H](n2n1)[*:1]
CCOC(=O)CCC(=O)N1CCC(c2nc(-c3cccnc3)no2)CC1 CCOC(=O)[*:1] O=C(CC[*:1])N1CCC(CC1)c1nc(no1)-c1cccnc1
CCOC(=O)CCC(=O)N1CCC(c2nc(-c3cccnc3)no2)CC1 CCOC(=O)CC[*:1] O=C(N1CCC(CC1)c1nc(no1)-c1cccnc1)[*:1]
CCOC(=O)CCC(=O)N1CCC(c2nc(-c3cccnc3)no2)CC1 CCOC(=O)C[*:1] O=C(C[*:1])N1CCC(CC1)c1nc(no1)-c1cccnc1
CCOC(=O)CCC(=O)N1CCC(c2nc(-c3cccnc3)no2)CC1 c1cncc(c1)[*:1] CCOC(=O)CCC(=O)N1CCC(CC1)c1nc(no1)[*:1]
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2[C@@H](c2ccccc2)CC(=O)C3)c(OC)c1 COc1ccc(c(c1)OC)[*:1] N#CC1=C(N)OC2CC(=O)C[C@@H](C=2[C@H]1[*:1])c1ccccc1
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2[C@@H](c2ccccc2)CC(=O)C3)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1C(C#N)=C(N)OC2CC(=O)C[C@H](C=21)[*:1]
CC1=C[C@@H](C(=O)N[C@@H](C)c2nnn[n-]2)[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] CC1=C[C@@H](C(=O)N[C@@H](C)c2nnn[n-]2)[C@@H](O1)[*:1]
c1ccc2c(CSc3nnc(NC4CC4)s3)cccc2c1 C1CC1[*:1] c1ccc2c(cccc2c1)CSc1nnc(N[*:1])s1
c1ccc2c(CSc3nnc(NC4CC4)s3)cccc2c1 C1CC1N[*:1] c1ccc2c(cccc2c1)CSc1nnc(s1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)NCc2ccc3c(c2)CCC3)c1 CC(=O)N(C)[*:1] O=C(NCc1ccc2CCCc2c1)Nc1cccc(c1)[*:1]
O=C(CCSCCc1ccccn1)N1CCc2ccccc21 c1ccc(C[*:1])nc1 O=C(CCSC[*:1])N1CCc2ccccc21
O=C(CCSCCc1ccccn1)N1CCc2ccccc21 c1ccc(nc1)[*:1] O=C(CCSCC[*:1])N1CCc2ccccc21
Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1C C1CC1[*:1] Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(C2=O)[*:1])c1C
C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccco1 Clc1cc(Cl)cc(c1)[*:1] C=CCn1c(nnc1-c1ccco1)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccco1 C=CC[*:1] O=C(CSc1nnc(-c2ccco2)n1[*:1])Nc1cc(Cl)cc(Cl)c1
C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccco1 c1coc(c1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1cc(Cl)cc(Cl)c1
CN(C(=O)C[S@](=O)c1cccc(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)C[S@](=O)c1cccc(Cl)c1)[*:1]
COC(=O)[C@H]1CCCCN1C(=O)Cc1c(F)cccc1F COC(=O)[*:1] O=C(Cc1c(F)cccc1F)N1CCCC[C@@H]1[*:1]
COCCCNC(=O)NCc1ccc[nH+]c1N1CCCCC1 COCCC[*:1] O=C(NCc1ccc[nH+]c1N1CCCCC1)N[*:1]
COCCCNC(=O)NCc1ccc[nH+]c1N1CCCCC1 C1CCN(CC1)[*:1] COCCCNC(=O)NCc1ccc[nH+]c1[*:1]
COCCCNC(=O)NCc1ccc[nH+]c1N1CCCCC1 COCC[*:1] O=C(NCc1ccc[nH+]c1N1CCCCC1)NC[*:1]
COCCCNC(=O)NCc1ccc[nH+]c1N1CCCCC1 COC[*:1] O=C(NCC[*:1])NCc1ccc[nH+]c1N1CCCCC1
CCOc1ccc(CN(C)CC#N)cc1OC CN(CC#N)[*:1] CCOc1ccc(cc1OC)C[*:1]
CCOc1ccc(CN(C)CC#N)cc1OC N#CC[*:1] CCOc1ccc(cc1OC)CN(C)[*:1]
CCOc1ccc(CN(C)CC#N)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CN(C)CC#N
CCCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(C)c2=O)CC1 CCCNC(=O)[*:1] Cn1c(=O)n(CC2CCC(CC2)[*:1])c(=O)c2sccc21
CCCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(C)c2=O)CC1 CCC[*:1] Cn1c(=O)n(CC2CCC(CC2)C(=O)N[*:1])c(=O)c2sccc21
CN(Cc1nccs1)C(=O)CCCN1C(=O)c2ccccc2C1=O c1csc(n1)[*:1] CN(C[*:1])C(=O)CCCN1C(=O)c2ccccc2C1=O
CN(Cc1nccs1)C(=O)CCCN1C(=O)c2ccccc2C1=O c1csc(C[*:1])n1 CN(C(=O)CCCN1C(=O)c2ccccc2C1=O)[*:1]
Cc1c(Cl)cccc1NC(=O)C[NH2+]CC1CCCCC1 C1CCC(CC1)[*:1] Cc1c(Cl)cccc1NC(=O)C[NH2+]C[*:1]
CC(=O)c1cc(C(=O)N2CCCCCCC2)n(C)c1 CC(=O)[*:1] Cn1cc(cc1C(=O)N1CCCCCCC1)[*:1]
CC(C)N(C)C(=O)c1ccccc1SC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(C)N(C)C(=O)c1ccccc1SC[*:1]
CC(C)N(C)C(=O)c1ccccc1SC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC(C)N(C)C(=O)c1ccccc1S[*:1]
CC(C)N(C)C(=O)c1ccccc1SC[C@H]1CCCO1 CC(C)[*:1] CN(C(=O)c1ccccc1SC[C@H]1CCCO1)[*:1]
Cc1ccnc(SCCCCCS)n1 SCC[*:1] Cc1ccnc(n1)SCCC[*:1]
Cc1ccnc(SCCCCCS)n1 SCCC[*:1] Cc1ccnc(n1)SCC[*:1]
O=C(NC[C@](O)(c1ccccc1)C1CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@](O)(c1ccccc1)C1CC1)[*:1]
O=C(NC[C@](O)(c1ccccc1)C1CC1)c1ccc(F)cc1 C1CC1[*:1] O=C(NC[C@](O)(c1ccccc1)[*:1])c1ccc(F)cc1
O=C(NC[C@](O)(c1ccccc1)C1CC1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(NC[C@](O)(C1CC1)[*:1])c1ccc(F)cc1
COc1csc(C(=O)N[C@@H](CO)c2ccco2)c1 c1coc(c1)[*:1] COc1csc(c1)C(=O)N[C@@H](CO)[*:1]
COC(=O)CSc1nncn1CCc1cccs1 COC(=O)C[*:1] c1csc(c1)CCn1cnnc1S[*:1]
COC(=O)CSc1nncn1CCc1cccs1 c1csc(c1)C[*:1] COC(=O)CSc1nncn1C[*:1]
COC(=O)CSc1nncn1CCc1cccs1 COC(=O)[*:1] c1csc(c1)CCn1cnnc1SC[*:1]
COC(=O)CSc1nncn1CCc1cccs1 COC(=O)CS[*:1] c1csc(c1)CCn1cnnc1[*:1]
COC(=O)CSc1nncn1CCc1cccs1 c1csc(c1)[*:1] COC(=O)CSc1nncn1CC[*:1]
CCC[NH2+][C@H](C[NH+](C)C)[C@@H]1CCOC2(CCSCC2)C1 CCC[*:1] C[NH+](C)C[C@@H]([NH2+][*:1])[C@@H]1CCOC2(CCSCC2)C1
Cc1ccc(CNC(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)s1 Cc1ccc(s1)[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)NC[*:1]
Cc1ccc(CNC(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)s1 Cc1ccc(C[*:1])s1 C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)N[*:1]
Cc1ccc(CNC(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)s1 C[S@](=O)[*:1] Cc1ccc(CNC(=O)N(C)[C@H](C)c2ccc(cc2)[*:1])s1
CCCS(=O)(=O)N1CCCc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)ccc21 CCC[*:1] O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
CCCS(=O)(=O)N1CCCc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)ccc21 Clc1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCCc2cc(ccc21)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H](OC(=O)Cc1cccs1)C(=O)N1CCc2ccccc21 c1csc(c1)[*:1] C[C@@H](OC(=O)C[*:1])C(=O)N1CCc2ccccc21
C[C@@H](OC(=O)Cc1cccs1)C(=O)N1CCc2ccccc21 c1csc(c1)C[*:1] C[C@@H](OC(=O)[*:1])C(=O)N1CCc2ccccc21
Cc1sc(-c2ccco2)nc1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 c1coc(c1)[*:1] Cc1sc(nc1C(=O)N1CCN(CC1)C(=O)[C@@H]1CCCO1)[*:1]
Cn1ccnc1SCc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)o1 Cn1ccnc1SC[*:1] O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc(o1)[*:1]
Cn1ccnc1SCc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)o1 Cn1ccnc1S[*:1] O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc(C[*:1])o1
Cn1ccnc1SCc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)o1 Fc1ccc(cc1)[*:1] Cn1ccnc1SCc1ccc(o1)C(=O)N[C@@H](c1cccs1)[*:1]
Cn1ccnc1SCc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)o1 c1csc(c1)[*:1] Cn1ccnc1SCc1ccc(o1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
Cn1ccnc1SCc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)o1 Cn1ccnc1[*:1] O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc(CS[*:1])o1
CCN(C[C@H]1CCCO1)C(=O)NCCc1cc(C)cc(C)c1 C1CO[C@H](C1)[*:1] CCN(C[*:1])C(=O)NCCc1cc(C)cc(C)c1
CCN(C[C@H]1CCCO1)C(=O)NCCc1cc(C)cc(C)c1 C1CO[C@H](C1)C[*:1] CCN(C(=O)NCCc1cc(C)cc(C)c1)[*:1]
O=S1(=O)C[C@H](NCc2cccnc2)[C@@H](N2CCCCC2)C1 C1CCN(CC1)[*:1] O=S1(=O)C[C@H](NCc2cccnc2)[C@@H](C1)[*:1]
O=S1(=O)C[C@H](NCc2cccnc2)[C@@H](N2CCCCC2)C1 c1cncc(c1)[*:1] O=S1(=O)C[C@H](NC[*:1])[C@H](C1)N1CCCCC1
O=S1(=O)C[C@H](NCc2cccnc2)[C@@H](N2CCCCC2)C1 c1cncc(c1)C[*:1] O=S1(=O)C[C@H](N[*:1])[C@H](C1)N1CCCCC1
C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C1=O CCO[*:1] C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(c2)[*:1])C1=O
C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C1=O Cc1cccc(c1)CO[*:1] C#CCN1C(=O)S/C(=C/c2ccc(c(c2)OCC)[*:1])C1=O
C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C1=O C#CC[*:1] CCOc1cc(/C=C2/SC(=O)N(C2=O)[*:1])ccc1OCc1cccc(C)c1
C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C1=O Cc1cccc(c1)[*:1] C#CCN1C(=O)S/C(=C/c2ccc(OC[*:1])c(c2)OCC)C1=O
C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C1=O Cc1cccc(c1)C[*:1] C#CCN1C(=O)S/C(=C/c2ccc(O[*:1])c(c2)OCC)C1=O
CCC[C@H]1C[C@H]1NC(=O)Cc1c(C)nn(CC(C)C)c1C CC(C)C[*:1] CCC[C@H]1C[C@H]1NC(=O)Cc1c(C)nn(c1C)[*:1]
CCC[C@H]1C[C@H]1NC(=O)Cc1c(C)nn(CC(C)C)c1C CCC[*:1] Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@H]1NC(=O)Cc1c(C)nn(CC(C)C)c1C CC(C)[*:1] CCC[C@H]1C[C@H]1NC(=O)Cc1c(C)nn(C[*:1])c1C
O=C(CN1CCCc2ccccc21)N/N=C/c1ccco1 c1coc(c1)[*:1] O=C(CN1CCCc2ccccc21)NN=C[*:1]
C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C[NH+]2CCCn3nc(CCC(=O)[O-])cc3C2)ccc1F O=C([O-])CC[*:1] Cc1cc(ccc1F)C[NH+]1CCCn2nc(cc2C1)[*:1]
Cc1cc(C[NH+]2CCCn3nc(CCC(=O)[O-])cc3C2)ccc1F O=C([O-])C[*:1] Cc1cc(ccc1F)C[NH+]1CCCn2nc(cc2C1)C[*:1]
Cc1cc(C[NH+]2CCCn3nc(CCC(=O)[O-])cc3C2)ccc1F Cc1cc(ccc1F)[*:1] O=C([O-])CCc1cc2C[NH+](CCCn2n1)C[*:1]
Cc1cc(C[NH+]2CCCn3nc(CCC(=O)[O-])cc3C2)ccc1F O=C([O-])[*:1] Cc1cc(ccc1F)C[NH+]1CCCn2nc(cc2C1)CC[*:1]
O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)[*:1]
N#CCCCSc1nnc(NC[C@H]2CCCO2)s1 N#CC[*:1] C1CO[C@H](C1)CNc1nnc(SCC[*:1])s1
N#CCCCSc1nnc(NC[C@H]2CCCO2)s1 N#CCC[*:1] C1CO[C@H](C1)CNc1nnc(SC[*:1])s1
N#CCCCSc1nnc(NC[C@H]2CCCO2)s1 N#CCCCS[*:1] C1CO[C@H](C1)CNc1nnc(s1)[*:1]
N#CCCCSc1nnc(NC[C@H]2CCCO2)s1 N#CCCC[*:1] C1CO[C@H](C1)CNc1nnc(S[*:1])s1
N#CCCCSc1nnc(NC[C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] N#CCCCSc1nnc(NC[*:1])s1
N#CCCCSc1nnc(NC[C@H]2CCCO2)s1 C1CO[C@H](C1)C[*:1] N#CCCCSc1nnc(N[*:1])s1
O=C(COc1cccc(C(F)(F)F)c1)NCc1nnc2ccccn12 FC(F)(F)[*:1] O=C(COc1cccc(c1)[*:1])NCc1nnc2ccccn12
C[C@H](c1cc(F)ccc1F)N(C)C(=O)/C=C/c1ccncc1 c1cc(ccn1)[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)C=C[*:1]
CC(C)[NH+](CCNC(=O)C1CCCCC1)C(C)C C1CCC(CC1)[*:1] CC(C)[NH+](CCNC(=O)[*:1])C(C)C
CC(C)[NH+](CCNC(=O)C1CCCCC1)C(C)C CC(C)[*:1] CC(C)[NH+](CCNC(=O)C1CCCCC1)[*:1]
Cc1cc(C)c(S(=O)(=O)NC[C@@](O)(Cc2ccccc2)c2cccs2)cc1C c1ccc(cc1)C[*:1] Cc1cc(C)c(cc1C)S(=O)(=O)NC[C@@](O)(c1cccs1)[*:1]
Cc1cc(C)c(S(=O)(=O)NC[C@@](O)(Cc2ccccc2)c2cccs2)cc1C c1ccc(cc1)[*:1] Cc1cc(C)c(cc1C)S(=O)(=O)NC[C@@](O)(C[*:1])c1cccs1
Cc1cc(C)c(S(=O)(=O)NC[C@@](O)(Cc2ccccc2)c2cccs2)cc1C Cc1cc(C)c(cc1C)[*:1] O=S(=O)(NC[C@@](O)(Cc1ccccc1)c1cccs1)[*:1]
Cc1cc(C)c(S(=O)(=O)NC[C@@](O)(Cc2ccccc2)c2cccs2)cc1C c1csc(c1)[*:1] Cc1cc(C)c(cc1C)S(=O)(=O)NC[C@@](O)(Cc1ccccc1)[*:1]
CCCOc1ccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)cc1 O=C(Nc1nccs1)[*:1] CCCOc1ccc(cc1)N1C[C@@H](CC1=O)[*:1]
CCCOc1ccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)cc1 CCCO[*:1] O=C(Nc1nccs1)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCCOc1ccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)cc1 c1csc(n1)[*:1] CCCOc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
CCCOc1ccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)cc1 CCC[*:1] O=C(Nc1nccs1)[C@H]1CC(=O)N(C1)c1ccc(cc1)O[*:1]
COc1ccc(CCN2CCN(C(=O)NCCc3ncnn3C)CC2)cc1 COc1ccc(cc1)C[*:1] Cn1ncnc1CCNC(=O)N1CCN(CC1)C[*:1]
COc1ccc(CCN2CCN(C(=O)NCCc3ncnn3C)CC2)cc1 Cn1ncnc1[*:1] COc1ccc(cc1)CCN1CCN(CC1)C(=O)NCC[*:1]
COc1ccc(CCN2CCN(C(=O)NCCc3ncnn3C)CC2)cc1 Cn1ncnc1CC[*:1] COc1ccc(cc1)CCN1CCN(CC1)C(=O)N[*:1]
COc1ccc(CCN2CCN(C(=O)NCCc3ncnn3C)CC2)cc1 Cn1ncnc1C[*:1] COc1ccc(cc1)CCN1CCN(CC1)C(=O)NC[*:1]
COc1ccc(CCN2CCN(C(=O)NCCc3ncnn3C)CC2)cc1 COc1ccc(cc1)[*:1] Cn1ncnc1CCNC(=O)N1CCN(CC1)CC[*:1]
O=C(COc1ncnc2sccc12)NCC(F)(F)F FC(F)(F)C[*:1] O=C(COc1ncnc2sccc12)N[*:1]
O=C(COc1ncnc2sccc12)NCC(F)(F)F FC(F)(F)[*:1] O=C(COc1ncnc2sccc12)NC[*:1]
O=C(Nc1cc(N2CCCCC2)ncn1)c1ccc2noc(-c3ccccc3)c2c1 c1ccc(cc1)[*:1] O=C(Nc1cc(ncn1)N1CCCCC1)c1ccc2noc(c2c1)[*:1]
O=C(Nc1cc(N2CCCCC2)ncn1)c1ccc2noc(-c3ccccc3)c2c1 C1CCN(CC1)[*:1] O=C(Nc1cc(ncn1)[*:1])c1ccc2noc(-c3ccccc3)c2c1
O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1=NO[C@H](c2ccccc2)C1 Fc1ccc(cc1)[*:1] O=C(N[C@H]([C@@H]1CCCO1)[*:1])C1C[C@H](ON=1)c1ccccc1
O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1=NO[C@H](c2ccccc2)C1 C1CO[C@@H](C1)[*:1] O=C(N[C@H](c1ccc(F)cc1)[*:1])C1C[C@H](ON=1)c1ccccc1
O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1=NO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1C[C@@H](ON=1)[*:1]
O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)CN1 O=[N+]([O-])[*:1] O=C1C[C@@H](CN1)c1ccc(cc1)[*:1]
CCc1nc2sc([C@H](c3cccc(OC)c3)N3CC[NH+](Cc4ccccc4)CC3)c(O)n2n1 COc1cccc(c1)[*:1] CCc1nc2sc(c(O)n2n1)[C@H](N1CC[NH+](CC1)Cc1ccccc1)[*:1]
CCc1nc2sc([C@H](c3cccc(OC)c3)N3CC[NH+](Cc4ccccc4)CC3)c(O)n2n1 c1ccc(cc1)[*:1] CCc1nc2sc(c(O)n2n1)[C@H](c1cccc(c1)OC)N1CC[NH+](CC1)C[*:1]
CCc1nc2sc([C@H](c3cccc(OC)c3)N3CC[NH+](Cc4ccccc4)CC3)c(O)n2n1 CCc1nc2sc(c(O)n2n1)[*:1] COc1cccc(c1)[C@H](N1CC[NH+](CC1)Cc1ccccc1)[*:1]
CCc1nc2sc([C@H](c3cccc(OC)c3)N3CC[NH+](Cc4ccccc4)CC3)c(O)n2n1 c1ccc(cc1)C[*:1] CCc1nc2sc(c(O)n2n1)[C@H](c1cccc(c1)OC)N1CC[NH+](CC1)[*:1]
C#CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1CC1 O=[N+]([O-])[*:1] C#CCN(Cc1cn(C)nc1-c1ccc(cc1)[*:1])CC1CC1
C#CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1CC1 C1CC1C[*:1] C#CCN(Cc1cn(C)nc1-c1ccc(cc1)[N+](=O)[O-])[*:1]
C#CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1CC1 C#CC[*:1] Cn1cc(CN(CC2CC2)[*:1])c(n1)-c1ccc(cc1)[N+](=O)[O-]
C#CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1CC1 C1CC1[*:1] C#CCN(Cc1cn(C)nc1-c1ccc(cc1)[N+](=O)[O-])C[*:1]
C#CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1CC1 C#CCN(CC1CC1)[*:1] Cn1cc(C[*:1])c(n1)-c1ccc(cc1)[N+](=O)[O-]
O=C(CCOC[C@H]1CCCO1)Nc1ccc2c(c1)CCC(=O)N2 C1CO[C@H](C1)C[*:1] O=C(CCO[*:1])Nc1ccc2NC(=O)CCc2c1
O=C(CCOC[C@H]1CCCO1)Nc1ccc2c(c1)CCC(=O)N2 C1CO[C@H](C1)[*:1] O=C(CCOC[*:1])Nc1ccc2NC(=O)CCc2c1
O=C(CC[NH2+]CC(=O)NC1CCCC1)NC1CC1 C1CC1[*:1] O=C(C[NH2+]CCC(=O)N[*:1])NC1CCCC1
O=C(CC[NH2+]CC(=O)NC1CCCC1)NC1CC1 C1CCC(C1)[*:1] O=C(CC[NH2+]CC(=O)N[*:1])NC1CC1
O=C(CC[NH2+]CC(=O)NC1CCCC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(C[NH2+]CC[*:1])NC1CCCC1
Cc1nc(C)c(CCC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c(=O)[nH]1 O=C(N[*:1])[C@H]1CCCO1 Cc1nc(C)c(CCC(=O)Nc2ccc(cc2)[*:1])c(=O)[nH]1
Cc1nc(C)c(CCC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c(=O)[nH]1 Cc1nc(C)c(c(=O)[nH]1)[*:1] O=C(CC[*:1])Nc1ccc(cc1)NC(=O)[C@H]1CCCO1
N#Cc1ccc(N2CCC(NC(=O)c3ccncc3F)CC2)cc1 Fc1cnccc1[*:1] N#Cc1ccc(cc1)N1CCC(CC1)NC(=O)[*:1]
N#Cc1ccc(N2CCC(NC(=O)c3ccncc3F)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)[*:1])c1ccncc1F
CC(=O)Nc1cccc(C(=O)N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c1 O=C(NC[C@@H]1CCCO1)[*:1] CC(=O)Nc1cccc(c1)C(=O)N1CCC(CC1)[*:1]
CC(=O)Nc1cccc(C(=O)N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c1 CC(=O)N[*:1] O=C(NC[C@@H]1CCCO1)C1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CS(=O)(=O)NCCC(=O)N1CCC[C@H]2CCCC[C@H]21 CS(=O)(=O)N[*:1] O=C(CC[*:1])N1CCC[C@H]2CCCC[C@H]21
CS(=O)(=O)NCCC(=O)N1CCC[C@H]2CCCC[C@H]21 CS(=O)(=O)NC[*:1] O=C(C[*:1])N1CCC[C@H]2CCCC[C@H]21
CC(C)NC(=O)c1ccc(NC(=O)[C@H](C)n2cccn2)cc1 c1cnn(c1)[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)[C@H](C)[*:1]
CC(C)NC(=O)c1ccc(NC(=O)[C@H](C)n2cccn2)cc1 CC(C)NC(=O)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])n1cccn1
CC(C)NC(=O)c1ccc(NC(=O)[C@H](C)n2cccn2)cc1 CC(C)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)C(=O)N[*:1])n1cccn1
COc1cccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c1 COc1cccc(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc2OCOc2c1
COc1cccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Clc1cccc2c1SCC[C@H]2[NH2+]C[C@@H]1CN(C2CC2)CCO1 C1CC1[*:1] Clc1cccc2c1SCC[C@H]2[NH2+]C[C@@H]1CN(CCO1)[*:1]
O=C(CCCNC(=O)c1ccsc1)NCc1cnc2ccccc2c1 c1cc(cs1)[*:1] O=C(CCCNC(=O)[*:1])NCc1cnc2ccccc2c1
O=C(CCCNC(=O)c1ccsc1)NCc1cnc2ccccc2c1 O=C(N[*:1])c1ccsc1 O=C(CCC[*:1])NCc1cnc2ccccc2c1
CCn1nc(SCC(=O)Nc2cccc(C)c2)n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C Cc1cccc(c1)[*:1] CCn1nc(SCC(=O)N[*:1])n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C
CCn1nc(SCC(=O)Nc2cccc(C)c2)n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C Cc1cccc(c1)NC(=O)C[*:1] CCn1nc(S[*:1])n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C
CCn1nc(SCC(=O)Nc2cccc(C)c2)n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C Cc1cccc(c1)NC(=O)[*:1] CCn1nc(SC[*:1])n2c(=O)c3c(nc12)-c1ccccc1CC3(C)C
CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl CC(C)(C)[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl)[*:1]
CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl Clc1cc(Br)ccc1[*:1] CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1n[nH]c2ncc(C(=O)Nc3nnc(C4CC4)s3)cc12 C1CC1[*:1] Cc1n[nH]c2ncc(cc12)C(=O)Nc1nnc(s1)[*:1]
O=C1C[C@@H](C(=O)Nc2ccc(Br)cc2)n2c(nc3ccccc32)N1 Brc1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)N[*:1])n2c(nc3ccccc32)N1
Cc1cc2c(NC[C@@H](O)C3CCOCC3)ncnc2s1 C1CC(CCO1)[*:1] Cc1cc2c(ncnc2s1)NC[C@@H](O)[*:1]
CCCc1n[nH]c2c1[C@@]1(C(=O)Nc3cccc(C)c31)C(C#N)=C(N)O2 CCC[*:1] Cc1cccc2NC(=O)[C@]3(C(C#N)=C(N)Oc4[nH]nc(c43)[*:1])c12
C[C@@H]([NH3+])c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 O=[N+]([O-])[*:1] C[C@@H]([NH3+])c1cccc(c1)Oc1ccc(cc1Cl)[*:1]
O=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)O[*:1]
O=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)OC[*:1]
O=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)OCc1ccccc1 c1csc(c1)[*:1] O=C(NCCN1C(=O)SC(=C[*:1])C1=O)OCc1ccccc1
COC(=O)C[C@H](c1cncn1C(C)C)[C@H](C)[NH3+] COC(=O)[*:1] CC(C)n1cncc1[C@@H](C[*:1])[C@H](C)[NH3+]
COC(=O)C[C@H](c1cncn1C(C)C)[C@H](C)[NH3+] COC(=O)C[*:1] CC(C)n1cncc1[C@H]([C@H](C)[NH3+])[*:1]
COC(=O)C[C@H](c1cncn1C(C)C)[C@H](C)[NH3+] CC(C)[*:1] COC(=O)C[C@H](c1cncn1[*:1])[C@H](C)[NH3+]
O=C([O-])c1ccccc1O[C@@H]1CCOC2(CCOCC2)C1 O=C([O-])[*:1] c1ccc(c(c1)O[C@@H]1CCOC2(CCOCC2)C1)[*:1]
CCOCC/C([O-])=C1/CCc2ccc(OC)cc2C1=O CCOCC[*:1] COc1ccc2CC/C(C(=O)c2c1)=C(\[O-])[*:1]
CCOCC/C([O-])=C1/CCc2ccc(OC)cc2C1=O CCOC[*:1] COc1ccc2CC/C(C(=O)c2c1)=C(\[O-])C[*:1]
CCOCC/C([O-])=C1/CCc2ccc(OC)cc2C1=O CCO[*:1] COc1ccc2CC/C(C(=O)c2c1)=C(\[O-])CC[*:1]
COc1ccc(OC)c(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 COc1ccc(OC)c(c1)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)NN=C[*:1]
COc1ccc(OC)c(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(/C=N/NC(=O)c2cc3c(C)nn(c3s2)[*:1])c1
COc1ccc(CCNC(=O)[C@H](C)NC(=O)[C@@H]2COc3ccccc3O2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)NCC[*:1]
COc1ccc(CCNC(=O)[C@H](C)NC(=O)[C@@H]2COc3ccccc3O2)cc1 COc1ccc(cc1)C[*:1] C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)NC[*:1]
C[NH2+][C@H](Cc1ccccc1)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] C[NH2+][C@H](Cc1ccccc1)c1cc(ccc1F)[*:1]
C[NH2+][C@H](Cc1ccccc1)c1cc(C(F)(F)F)ccc1F c1ccc(cc1)C[*:1] C[NH2+][C@H](c1cc(ccc1F)C(F)(F)F)[*:1]
C[NH2+][C@H](Cc1ccccc1)c1cc(C(F)(F)F)ccc1F c1ccc(cc1)[*:1] C[NH2+][C@H](C[*:1])c1cc(ccc1F)C(F)(F)F
COc1cc(-c2nnc(N(C(=O)C3CCCCC3)C(C)C)s2)cc(OC)c1OC C1CCC(CC1)[*:1] COc1cc(cc(OC)c1OC)-c1nnc(s1)N(C(=O)[*:1])C(C)C
COc1cc(-c2nnc(N(C(=O)C3CCCCC3)C(C)C)s2)cc(OC)c1OC CC(C)[*:1] COc1cc(cc(OC)c1OC)-c1nnc(s1)N(C(=O)C1CCCCC1)[*:1]
COC(=O)CCC(=O)N[C@H](C)c1cc2cccc(OC)c2o1 COC(=O)CC[*:1] COc1cccc2cc(oc12)[C@@H](C)NC(=O)[*:1]
COC(=O)CCC(=O)N[C@H](C)c1cc2cccc(OC)c2o1 COC(=O)[*:1] COc1cccc2cc(oc12)[C@@H](C)NC(=O)CC[*:1]
COC(=O)CCC(=O)N[C@H](C)c1cc2cccc(OC)c2o1 COC(=O)C[*:1] COc1cccc2cc(oc12)[C@@H](C)NC(=O)C[*:1]
CC(=O)Nc1cc(C(=O)NCCc2ccccc2F)nn1-c1ccccc1 Fc1ccccc1CC[*:1] CC(=O)Nc1cc(nn1-c1ccccc1)C(=O)N[*:1]
CC(=O)Nc1cc(C(=O)NCCc2ccccc2F)nn1-c1ccccc1 CC(=O)N[*:1] O=C(NCCc1ccccc1F)c1cc(n(n1)-c1ccccc1)[*:1]
CC(=O)Nc1cc(C(=O)NCCc2ccccc2F)nn1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)Nc1cc(nn1[*:1])C(=O)NCCc1ccccc1F
CC(=O)Nc1cc(C(=O)NCCc2ccccc2F)nn1-c1ccccc1 Fc1ccccc1C[*:1] CC(=O)Nc1cc(nn1-c1ccccc1)C(=O)NC[*:1]
CC(=O)Nc1cc(C(=O)NCCc2ccccc2F)nn1-c1ccccc1 Fc1ccccc1[*:1] CC(=O)Nc1cc(nn1-c1ccccc1)C(=O)NCC[*:1]
C=CCCC(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O C=CC[*:1] CN(C(=O)C[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
C=CCCC(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O C=CCC[*:1] CN(C(=O)[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
C=CCCC(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] C=CCCC(=O)N(C)[C@H]1CCCC[C@H]1[*:1]
Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCc4ccncc4)CC3)CC2)n1 Cc1cccc(n1)[*:1] O=C(NCCc1ccncc1)C1CC[NH+](CC1)C1CC[NH+](CC1)C[*:1]
Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCc4ccncc4)CC3)CC2)n1 c1cc(ccn1)[*:1] Cc1cccc(C[NH+]2CCC(CC2)[NH+]2CCC(CC2)C(=O)NCC[*:1])n1
Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCc4ccncc4)CC3)CC2)n1 c1cc(ccn1)C[*:1] Cc1cccc(C[NH+]2CCC(CC2)[NH+]2CCC(CC2)C(=O)NC[*:1])n1
Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCc4ccncc4)CC3)CC2)n1 Cc1cccc(C[*:1])n1 O=C(NCCc1ccncc1)C1CC[NH+](CC1)C1CC[NH+](CC1)[*:1]
Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCc4ccncc4)CC3)CC2)n1 c1cc(ccn1)CC[*:1] Cc1cccc(C[NH+]2CCC(CC2)[NH+]2CCC(CC2)C(=O)N[*:1])n1
Cc1c(C[NH+](C)C2CCC(C)CC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C[NH+](C)C1CCC(C)CC1
COC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1C COC(=O)[*:1] Cc1cc(=O)oc2c(C)c(ccc12)O[C@H](C)[*:1]
COC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1C COC(=O)[C@@H](C)[*:1] Cc1cc(=O)oc2c(C)c(ccc12)O[*:1]
CC(C)[C@H](CNC(=O)[C@@]1(C)CC1(Cl)Cl)N1CC[NH+](C)CC1 C[C@]1(CC1(Cl)Cl)[*:1] CC(C)[C@H](CNC(=O)[*:1])N1CC[NH+](C)CC1
CC(C)[C@H](CNC(=O)[C@@]1(C)CC1(Cl)Cl)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)[C@@]1(C)CC1(Cl)Cl)[*:1]
Cn1nnc2c(=O)n(CC(=O)NC3CC3)cnc21 O=C(NC1CC1)[*:1] Cn1nnc2c(=O)n(cnc21)C[*:1]
Cn1nnc2c(=O)n(CC(=O)NC3CC3)cnc21 C1CC1[*:1] Cn1nnc2c(=O)n(cnc21)CC(=O)N[*:1]
C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccccc1Br CS(=O)(=O)[*:1] C[C@@H]([NH2+]CC(C)(C)[*:1])c1ccccc1Br
COc1ccc(C(C)=O)cc1CN1CC[C@H]([NH3+])[C@H](C)C1 CC(=O)[*:1] COc1ccc(cc1CN1CC[C@H]([NH3+])[C@H](C)C1)[*:1]
CS[C@H]1CCCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CS[C@H]1CCCCN(Cc2cc(O)ccc2[*:1])C1
COCCC1(C[NH2+][C@H]2CCOc3c(C(C)C)cccc32)CC1 CC(C)[*:1] COCCC1(CC1)C[NH2+][C@H]1CCOc2c1cccc2[*:1]
COCCC1(C[NH2+][C@H]2CCOc3c(C(C)C)cccc32)CC1 COCCC1(CC1)[*:1] CC(C)c1cccc2c1OCC[C@@H]2[NH2+]C[*:1]
COCCC1(C[NH2+][C@H]2CCOc3c(C(C)C)cccc32)CC1 COC[*:1] CC(C)c1cccc2c1OCC[C@@H]2[NH2+]CC1(CC1)C[*:1]
COCCC1(C[NH2+][C@H]2CCOc3c(C(C)C)cccc32)CC1 COCC[*:1] CC(C)c1cccc2c1OCC[C@@H]2[NH2+]CC1(CC1)[*:1]
COc1ccc(-c2csc(CNC(=O)C=C3CCSCC3)c2)cc1 COc1ccc(cc1)[*:1] O=C(C=C1CCSCC1)NCc1cc(cs1)[*:1]
O=C(N[C@@H]1C[C@H]1c1ccccc1F)c1c[nH]c2cccc(F)c12 Fc1ccccc1[*:1] O=C(N[C@@H]1C[C@@H]1[*:1])c1c[nH]c2cccc(F)c12
CCC[C@@H](C#N)N1CCN(C[C@@H]2CN(CC)CCO2)CC1 CCC[C@@H](C#N)[*:1] CCN1CCO[C@@H](C1)CN1CCN(CC1)[*:1]
CCC[C@@H](C#N)N1CCN(C[C@@H]2CN(CC)CCO2)CC1 CCC[*:1] CCN1CCO[C@@H](C1)CN1CCN(CC1)[C@H](C#N)[*:1]
CCc1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1 N#CCC[*:1] CCc1ccc(cc1)C(=O)N(Cc1cccnc1)[*:1]
CCc1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1 N#CC[*:1] CCc1ccc(cc1)C(=O)N(Cc1cccnc1)C[*:1]
CCc1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1 c1cncc(c1)[*:1] CCc1ccc(cc1)C(=O)N(CCC#N)C[*:1]
CCc1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1 c1cncc(c1)C[*:1] CCc1ccc(cc1)C(=O)N(CCC#N)[*:1]
Cc1occc1C(=O)Nc1ccc(-c2nccs2)cc1 Cc1occc1[*:1] O=C(Nc1ccc(cc1)-c1nccs1)[*:1]
Cc1occc1C(=O)Nc1ccc(-c2nccs2)cc1 c1csc(n1)[*:1] Cc1occc1C(=O)Nc1ccc(cc1)[*:1]
CSCc1ccc(NC(=O)C(=O)N(C)CC(=O)NC(C)C)cc1 CC(C)NC(=O)C[*:1] CSCc1ccc(cc1)NC(=O)C(=O)N(C)[*:1]
CSCc1ccc(NC(=O)C(=O)N(C)CC(=O)NC(C)C)cc1 CSC[*:1] CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CSCc1ccc(NC(=O)C(=O)N(C)CC(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] CSCc1ccc(cc1)NC(=O)C(=O)N(C)C[*:1]
CSCc1ccc(NC(=O)C(=O)N(C)CC(=O)NC(C)C)cc1 CC(C)[*:1] CSCc1ccc(cc1)NC(=O)C(=O)N(C)CC(=O)N[*:1]
CCc1ccc(-c2ccc(C(=O)N[C@H](CC)c3nc(C)n[nH]3)o2)cc1 Cc1n[nH]c(n1)[*:1] CCc1ccc(cc1)-c1ccc(o1)C(=O)N[C@H](CC)[*:1]
CCc1ccc(-c2ccc(C(=O)N[C@H](CC)c3nc(C)n[nH]3)o2)cc1 CCc1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ccc(o1)[*:1])c1nc(C)n[nH]1
C=CCn1c([O-])c2ccc(C(=O)NC(C3CC3)C3CC3)cc2nc1=S C1CC1C(C1CC1)[*:1] C=CCn1c([O-])c2ccc(cc2nc1=S)C(=O)N[*:1]
C=CCn1c([O-])c2ccc(C(=O)NC(C3CC3)C3CC3)cc2nc1=S C=CC[*:1] O=C(NC(C1CC1)C1CC1)c1ccc2c([O-])n(c(=S)nc2c1)[*:1]
C=CCn1c([O-])c2ccc(C(=O)NC(C3CC3)C3CC3)cc2nc1=S C1CC1[*:1] C=CCn1c([O-])c2ccc(cc2nc1=S)C(=O)NC(C1CC1)[*:1]
C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(S(N)(=O)=O)cc1 c1cc(cs1)[*:1] C[C@@H](NC(=O)Cc1csc(n1)[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)Cc1csc(n1)-c1ccsc1)c1ccc(cc1)[*:1]
CCN(C)c1ccc(C(=O)Nc2cc(C)on2)cc1 CCN(C)[*:1] Cc1cc(no1)NC(=O)c1ccc(cc1)[*:1]
CCN(C)c1ccc(C(=O)Nc2cc(C)on2)cc1 Cc1cc(no1)[*:1] CCN(C)c1ccc(cc1)C(=O)N[*:1]
CCc1ccccc1OCC(=O)NC[C@H]1CCCN(c2ncccn2)C1 CCc1ccccc1[*:1] O=C(CO[*:1])NC[C@H]1CCCN(C1)c1ncccn1
CCc1ccccc1OCC(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CCc1ccccc1OCC(=O)NC[C@H]1CCCN(C1)[*:1]
CN(C)C(=O)C1(C[NH2+]Cc2ncc(-c3ccccc3)s2)CCCC1 c1ccc(cc1)[*:1] CN(C)C(=O)C1(CCCC1)C[NH2+]Cc1ncc(s1)[*:1]
CN(C)C(=O)C1(C[NH2+]Cc2ncc(-c3ccccc3)s2)CCCC1 CN(C)C(=O)[*:1] c1ccc(cc1)-c1cnc(C[NH2+]CC2(CCCC2)[*:1])s1
CC[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)C(=O)Nc1ccc(CC#N)cc1 FC(F)(F)C[*:1] CN(C(=O)CNC(=O)C(=O)Nc1ccc(cc1)CC#N)[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)C(=O)Nc1ccc(CC#N)cc1 FC(F)(F)[*:1] CN(C[*:1])C(=O)CNC(=O)C(=O)Nc1ccc(cc1)CC#N
CN(CC(F)(F)F)C(=O)CNC(=O)C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] CN(CC(F)(F)F)C(=O)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)C2(c3cc(-c4ccco4)on3)CC2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)NC(=O)C1(CC1)c1cc(on1)[*:1]
Cc1ccc(NC(=O)C2(c3cc(-c4ccco4)on3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])C1(CC1)c1cc(on1)-c1ccco1
Cc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@@H]2c2ccco2)cc1 CS(=O)(=O)N[*:1] Cc1ccc(cc1)C(=O)N1N=C(C[C@@H]1c1ccco1)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@@H]2c2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C(=O)N1N=C(C[C@H]1[*:1])c1ccc(cc1)NS(C)(=O)=O
Cc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@@H]2c2ccco2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)Nc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)[*:1]
C[C@H](NC(=O)NCc1cccc2cccnc12)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)NCc1cccc2cccnc12)[*:1]
CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CCc1cccs1 Brc1cccc(c1)[*:1] CC[C@H]([NH3+])[C@@H](N(C)CCc1cccs1)[*:1]
CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CCc1cccs1 c1csc(c1)CC[*:1] CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)[*:1]
CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CCc1cccs1 c1csc(c1)[*:1] CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CC[*:1]
CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CCc1cccs1 c1csc(c1)C[*:1] CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)C[*:1]
O=C(NCCc1ccccc1Cl)C(=O)Nc1ccc2ncccc2c1 Clc1ccccc1C[*:1] O=C(NC[*:1])C(=O)Nc1ccc2ncccc2c1
O=C(NCCc1ccccc1Cl)C(=O)Nc1ccc2ncccc2c1 Clc1ccccc1[*:1] O=C(NCC[*:1])C(=O)Nc1ccc2ncccc2c1
COC[C@H]1CCN(C(=O)c2cc(COc3ccc(C)c(C)c3)on2)C1 COC[*:1] Cc1ccc(cc1C)OCc1cc(no1)C(=O)N1CC[C@@H](C1)[*:1]
COC[C@H]1CCN(C(=O)c2cc(COc3ccc(C)c(C)c3)on2)C1 Cc1ccc(cc1C)[*:1] COC[C@H]1CCN(C1)C(=O)c1cc(CO[*:1])on1
O=C1C[C@H](C(=O)N2CCC(Cn3cc[nH+]c3)CC2)CN1Cc1ccncc1 c1cc(ccn1)[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1CCC(CC1)Cn1cc[nH+]c1
O=C1C[C@H](C(=O)N2CCC(Cn3cc[nH+]c3)CC2)CN1Cc1ccncc1 c1cc(ccn1)C[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC(CC1)Cn1cc[nH+]c1
Nc1nc(N)nc(COC(=O)CNC(=O)c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] Nc1nc(N)nc(COC(=O)CNC(=O)[*:1])n1
C[C@@H](NC(=O)Nc1ccncc1)C1CCCCC1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)N[*:1])C1CCCCC1
C[C@@H](NC(=O)Nc1ccncc1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)Nc1ccncc1)[*:1]
c1ccc(-c2nnc(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)o2)cc1 c1ccc(cc1)[*:1] c1ccc([nH+]c1)N1CCC(CC1)[NH2+]CCc1nnc(o1)[*:1]
CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@]1(C)C(=O)c1ccccc1N O=S1(=O)CC[C@H](C1)[*:1] CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)N[*:1])[C@@]1(C)C(=O)c1ccccc1N
CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@]1(C)C(=O)c1ccccc1N Nc1ccccc1[*:1] CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@]1(C)C(=O)[*:1]
CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@]1(C)C(=O)c1ccccc1N CC(C)(C)[*:1] C[C@]1(C(=O)c2ccccc2N)[C@@H](C(=O)N[*:1])[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1
CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@]1(C)C(=O)c1ccccc1N CC(C)(C)NC(=O)[*:1] C[C@]1(C(=O)c2ccccc2N)[C@H]([C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@]1(C)C(=O)c1ccccc1N O=C(N[C@@H]1CCS(=O)(=O)C1)[*:1] CC(C)(C)NC(=O)[C@H]1[C@@H]([C@@]1(C)C(=O)c1ccccc1N)[*:1]
CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@]1(C)C(=O)c1ccccc1N Nc1ccccc1C(=O)[*:1] CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)[C@]1(C)[*:1]
COc1ccccc1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 COc1ccccc1[*:1] O=C(C[*:1])N1CCN(CC1)c1cccc(Cl)c1
COc1ccccc1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COc1ccccc1CC(=O)N1CCN(CC1)[*:1]
COCCOC[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)C1 COCCOC[*:1] N#Cc1ccc2nc(ccc2c1)N1CC[C@H](C1)[*:1]
COCCOC[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)C1 COCC[*:1] N#Cc1ccc2nc(ccc2c1)N1CC[C@@H](CO[*:1])C1
COCCOC[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)C1 COC[*:1] N#Cc1ccc2nc(ccc2c1)N1CC[C@@H](COC[*:1])C1
COCCOC[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)C1 COCCO[*:1] N#Cc1ccc2nc(ccc2c1)N1CC[C@H](C1)C[*:1]
Cc1csc(NC(=O)COc2ccc3ccc(=O)oc3c2)n1 Cc1csc(n1)[*:1] O=C(COc1ccc2ccc(=O)oc2c1)N[*:1]
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1cccc(Cl)c1 c1coc(c1)C[*:1] C[C@H](NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])c1cccc(Cl)c1
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1cccc(Cl)c1 C[C@H](c1cccc(Cl)c1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1cccc(Cl)c1 c1coc(c1)[*:1] C[C@H](NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1)c1cccc(Cl)c1
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1)[*:1]
CC(=O)OC[C@@]12CO[C@H](c3ccccc3OC(C)=O)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C CC(=O)O[*:1] CC(=O)OC[C@@]12CO[C@H](c3ccccc3[*:1])[C@@H](C(C)=C[C@@H]1C)[C@@H]2C
CC(=O)OC[C@@]12CO[C@H](c3ccccc3OC(C)=O)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C CC(=O)O[*:1] CC(=O)Oc1ccccc1[C@H]1OC[C@]2(C[*:1])[C@@H](C)C=C(C)[C@H]1[C@@H]2C
CC(=O)OC[C@@]12CO[C@H](c3ccccc3OC(C)=O)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C CC(=O)OC[*:1] CC(=O)Oc1ccccc1[C@H]1OC[C@]2([C@@H](C)C=C(C)[C@H]1[C@@H]2C)[*:1]
COC(=O)c1ccc2nc(NC(=O)CSC3=NC(=O)[C@@H](c4ccccc4)C(=O)N3)sc2c1 c1ccc(cc1)[*:1] COC(=O)c1ccc2nc(NC(=O)CSC3=NC(=O)[C@@H](C(=O)N3)[*:1])sc2c1
COC(=O)c1ccc2nc(NC(=O)CSC3=NC(=O)[C@@H](c4ccccc4)C(=O)N3)sc2c1 COC(=O)[*:1] O=C(CSC1=NC(=O)[C@H](C(=O)N1)c1ccccc1)Nc1nc2ccc(cc2s1)[*:1]
CCn1ccc2cc(CCC(=O)NCc3ccc(F)cc3)ccc21 Fc1ccc(cc1)C[*:1] CCn1ccc2cc(ccc21)CCC(=O)N[*:1]
CCn1ccc2cc(CCC(=O)NCc3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CCn1ccc2cc(ccc21)CCC(=O)NC[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)N1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1)[*:1]
O=C(Cc1ccc(F)c(F)c1)c1cccs1 c1csc(c1)[*:1] O=C(Cc1ccc(F)c(F)c1)[*:1]
Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2)c2ccco2)ccc1F c1coc(c1)[*:1] Cc1cc(ccc1F)S(=O)(=O)[C@@H](CNC(=O)c1ccccc1)[*:1]
Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2)c2ccco2)ccc1F O=C(N[*:1])c1ccccc1 Cc1cc(ccc1F)S(=O)(=O)[C@@H](C[*:1])c1ccco1
Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2)c2ccco2)ccc1F c1ccc(cc1)[*:1] Cc1cc(ccc1F)S(=O)(=O)[C@@H](CNC(=O)[*:1])c1ccco1
Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2)c2ccco2)ccc1F Cc1cc(ccc1F)[*:1] O=C(NC[C@@H](c1ccco1)S(=O)(=O)[*:1])c1ccccc1
C[C@@]1(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCS(=O)(=O)C1 C1CO[C@H](C1)C[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@@]1(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCS(=O)(=O)C1 C1CO[C@H](C1)[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
C[C@@]1(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCS(=O)(=O)C1 C[C@]1(CCS(=O)(=O)C1)[*:1] O=C(N[*:1])N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1
C[C@@]1(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)N(C[C@H]1CCCO1)[*:1]
COc1cc(NC(=O)/C(C#N)=C/c2ccccc2)c(OC)cc1Br c1ccc(cc1)[*:1] COc1cc(NC(=O)C(C#N)=C[*:1])c(cc1Br)OC
O=C(NCc1ccc2c(c1)OCO2)c1cccc(NC(=O)N2CCSc3ncccc32)c1 c1cc2OCOc2cc1C[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)N1CCSc2ncccc21
O=C(NCc1ccc2c(c1)OCO2)c1cccc(NC(=O)N2CCSc3ncccc32)c1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)N1CCSc2ncccc21
CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2c(F)cccc2F)C2=C1C(=O)CC(C)(C)C2 Fc1cccc(F)c1[*:1] CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(C2CC(C)(C)CC(=O)C=21)[*:1]
CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2c(F)cccc2F)C2=C1C(=O)CC(C)(C)C2 CSc1sc(C)cc1[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@@H]2[*:1])c1c(F)cccc1F
COC(=O)[C@H](Nc1ccc(CO)cc1)c1cccc(C#N)c1 COC(=O)[*:1] N#Cc1cccc(c1)[C@@H](Nc1ccc(cc1)CO)[*:1]
CNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 Fc1ccc(cc1)[*:1] CNC(=O)c1cc(nc2onc(C)c12)[*:1]
CNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 CNC(=O)[*:1] Cc1noc2nc(cc(c12)[*:1])-c1ccc(F)cc1
COc1ccccc1NC(=O)[C@H](C)CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 COc1ccccc1[*:1] C[C@H](CS(=O)(=O)c1ccc2S[C@@H](C)C(=O)Nc2c1)C(=O)N[*:1]
COC[C@@H](C)NC(=O)C[C@@H](O)c1ccccc1 COC[*:1] C[C@@H](NC(=O)C[C@@H](O)c1ccccc1)[*:1]
COC[C@@H](C)NC(=O)C[C@@H](O)c1ccccc1 COC[C@@H](C)[*:1] O=C(C[C@@H](O)c1ccccc1)N[*:1]
C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(N)=O O=[N+]([O-])[*:1] C[C@H](NC(=O)C1CCN(CC1)c1ccccc1[*:1])C(N)=O
C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(N)=O C[C@H](C(N)=O)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccccc1[N+](=O)[O-]
C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(N)=O NC(=O)[*:1] C[C@H](NC(=O)C1CCN(CC1)c1ccccc1[N+](=O)[O-])[*:1]
Cc1ccc(-c2csc3ncnc(NCCCO)c23)cc1C OCCC[*:1] Cc1ccc(cc1C)-c1csc2ncnc(N[*:1])c12
Cc1ccc(-c2csc3ncnc(NCCCO)c23)cc1C OCCCN[*:1] Cc1ccc(cc1C)-c1csc2ncnc(c12)[*:1]
Cc1ccc(-c2csc3ncnc(NCCCO)c23)cc1C OCC[*:1] Cc1ccc(cc1C)-c1csc2ncnc(NC[*:1])c12
Cc1ccc(C[NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)s1 FC(F)(F)[*:1] Cc1ccc(C[NH2+]Cc2nnc3CC[C@H](Cn32)[*:1])s1
Cc1ccc(C[NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)s1 Cc1ccc(C[*:1])s1 FC(F)(F)[C@H]1CCc2nnc(C[NH2+][*:1])n2C1
Cc1ccc(C[NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)s1 Cc1ccc(s1)[*:1] FC(F)(F)[C@H]1CCc2nnc(C[NH2+]C[*:1])n2C1
CCOc1ccc(CNC(=O)[C@@H]2CN(CC)CCO2)cc1C CCO[*:1] CCN1CCO[C@@H](C1)C(=O)NCc1ccc(c(C)c1)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)N2CC=C(C3=c4cccnc4=[NH+]C3)CC2)cc1 CCOC(=O)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CC=C(CC1)C1C[NH+]=c2ncccc2=1
CCCCNC(=O)C1CCN(C(=O)Nc2nc(C3CC3)cs2)CC1 c1sc(nc1C1CC1)[*:1] CCCCNC(=O)C1CCN(CC1)C(=O)N[*:1]
CCCCNC(=O)C1CCN(C(=O)Nc2nc(C3CC3)cs2)CC1 CCC[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)Nc1nc(cs1)C1CC1
CCCCNC(=O)C1CCN(C(=O)Nc2nc(C3CC3)cs2)CC1 C1CC1[*:1] CCCCNC(=O)C1CCN(CC1)C(=O)Nc1nc(cs1)[*:1]
CCCCNC(=O)C1CCN(C(=O)Nc2nc(C3CC3)cs2)CC1 CCCCNC(=O)[*:1] O=C(Nc1nc(cs1)C1CC1)N1CCC(CC1)[*:1]
CCCCNC(=O)C1CCN(C(=O)Nc2nc(C3CC3)cs2)CC1 CCCC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)Nc1nc(cs1)C1CC1
Cc1ccc(O)c(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1 Cc1nc(cs1)[*:1] Cc1ccc(O)c(c1)C(=O)NCc1ccc(s1)[*:1]
CC(C)(C)OC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)NNC(=O)c1cccc(c1)[*:1]
CC(C)(C)OC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 CC(C)(C)[*:1] O=C(NNC(=O)c1cccc(c1)[N+](=O)[O-])O[*:1]
CCCc1noc(C[NH+](CC2CC[NH2+]CC2)C(C)C)n1 CC(C)[*:1] CCCc1noc(C[NH+](CC2CC[NH2+]CC2)[*:1])n1
CCCc1noc(C[NH+](CC2CC[NH2+]CC2)C(C)C)n1 CCC[*:1] CC(C)[NH+](Cc1nc(no1)[*:1])CC1CC[NH2+]CC1
C[C@H]1CN(Cc2cccc(-c3cnn(C)c3)c2)C[C@H](c2ccccc2)O1 Cn1cc(cn1)[*:1] C[C@H]1CN(Cc2cccc(c2)[*:1])C[C@@H](O1)c1ccccc1
C[C@H]1CN(Cc2cccc(-c3cnn(C)c3)c2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(Cc2cccc(c2)-c2cnn(C)c2)C[C@H](O1)[*:1]
Cc1nccn1-c1ccc(CNC(=O)NCC(C)(C)C(N)=O)cc1F NC(=O)[*:1] Cc1nccn1-c1ccc(cc1F)CNC(=O)NCC(C)(C)[*:1]
Cc1nccn1-c1ccc(CNC(=O)NCC(C)(C)C(N)=O)cc1F CC(C)(C[*:1])C(N)=O Cc1nccn1-c1ccc(cc1F)CNC(=O)N[*:1]
Cc1nccn1-c1ccc(CNC(=O)NCC(C)(C)C(N)=O)cc1F Cc1nccn1[*:1] CC(C)(CNC(=O)NCc1ccc(c(F)c1)[*:1])C(N)=O
Cc1nccn1-c1ccc(CNC(=O)NCC(C)(C)C(N)=O)cc1F CC(C)(C(N)=O)[*:1] Cc1nccn1-c1ccc(cc1F)CNC(=O)NC[*:1]
O=C(/C=C/c1cccnc1)NCc1cccc(Cl)c1 c1cncc(c1)[*:1] O=C(C=C[*:1])NCc1cccc(Cl)c1
c1ccc(-n2cc(C[NH2+][C@@H]3CCCc4ccccc43)cn2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnn(c1)[*:1]
Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2C(=O)O[C@H]3C[C@]4(C)CCC[C@@H](C)C4=C[C@H]32)CC1 Cc1ccc(Cl)cc1[*:1] C[C@@H]1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@@H](C[NH+]4CCN(CC4)[*:1])[C@@H]3C=C12
Cn1nc2n(c1=O)CC[NH+](Cc1c[nH]nc1-c1c(F)cccc1F)C2 Fc1cccc(F)c1[*:1] Cn1nc2C[NH+](CCn2c1=O)Cc1c[nH]nc1[*:1]
O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1cncc(Br)c1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1cncc(Br)c1
O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C(Nc1nc2ccc(cc2s1)S(=O)(=O)N1CCCC1)[*:1]
COc1ccccc1CNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 COc1ccccc1C[*:1] O=C1Nc2ccccc2S/C1=C/c1ccc(cc1)C(=O)N[*:1]
COc1ccccc1CNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 COc1ccccc1[*:1] O=C1Nc2ccccc2S/C1=C/c1ccc(cc1)C(=O)NC[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(N3CCC[C@H](C(N)=O)C3)cc1)C2 NC(=O)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)c1ccc(cc1)N1CCC[C@H](C1)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(N3CCC[C@H](C(N)=O)C3)cc1)C2 NC(=O)[C@H]1CCCN(C1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)c1ccc(cc1)[*:1]
CNC(=O)CC[NH2+][C@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 CNC(=O)[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@@H]1[NH2+]CC[*:1]
CNC(=O)CC[NH2+][C@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 CNC(=O)C[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@@H]1[NH2+]C[*:1]
CNC(=O)CC[NH2+][C@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 CNC(=O)CC[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@@H]1[NH2+][*:1]
CC[NH2+][C@@H](CC)c1ccn(Cc2nccn2C)c1 Cn1ccnc1[*:1] CC[NH2+][C@@H](CC)c1ccn(c1)C[*:1]
Cc1cnc(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)s1 Cc1cnc(s1)[*:1] C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[*:1]
C/C(=N\NC(=O)c1cccc(Br)c1)c1cc(C)ccc1C Brc1cccc(c1)[*:1] C/C(=N\NC(=O)[*:1])c1cc(C)ccc1C
COc1ccc(-n2cc(CNC(=O)c3cnn(C)c3)nn2)cc1 Cn1cc(cn1)[*:1] COc1ccc(cc1)-n1cc(CNC(=O)[*:1])nn1
Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Sc4nncs4)cc3)c12 c1nnc(S[*:1])s1 Cc1noc2nc(cc(C(=O)Nc3ccc(cc3)[*:1])c12)-c1ccccc1
Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Sc4nncs4)cc3)c12 c1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)Nc3ccc(cc3)Sc3nncs3)c12)[*:1]
Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Sc4nncs4)cc3)c12 c1nnc(s1)[*:1] Cc1noc2nc(cc(C(=O)Nc3ccc(cc3)S[*:1])c12)-c1ccccc1
CCOc1ccc(C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)Nc1cc2CCCN3C(=O)Cc(c1)c23
CCOc1ccc(C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)Nc1cc2CCCN3C(=O)Cc(c1)c23
C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccn1 c1ccc(C[*:1])nc1 C[C@H](Oc1cccc2ccccc12)C(=O)N[*:1]
C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccn1 c1ccc(nc1)[*:1] C[C@H](Oc1cccc2ccccc12)C(=O)NC[*:1]
C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CC2)o1 O=C(NC1CC1)[*:1] C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2[*:1])o1
C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CC2)o1 C1CC1[*:1] C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N[*:1])o1
CC[C@](O)(C(=O)[O-])[C@@H]1CCc2ccc(OC)cc21 O=C([O-])[*:1] CC[C@](O)([C@@H]1CCc2ccc(cc21)OC)[*:1]
CC[C@@H](C)N(Cc1ccc(F)cc1)C(=O)c1cc2ccccc2oc1=O CC[C@@H](C)[*:1] O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)[*:1]
CC[C@@H](C)N(Cc1ccc(F)cc1)C(=O)c1cc2ccccc2oc1=O Fc1ccc(cc1)[*:1] CC[C@@H](C)N(C[*:1])C(=O)c1cc2ccccc2oc1=O
CC[C@@H](C)N(Cc1ccc(F)cc1)C(=O)c1cc2ccccc2oc1=O Fc1ccc(cc1)C[*:1] CC[C@@H](C)N(C(=O)c1cc2ccccc2oc1=O)[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCC1)c1cccc(c1)[*:1]
CCC1(CNC(=O)C(=O)Nc2ccccc2OC2CCCC2)CC1 C1CCC(C1)[*:1] CCC1(CC1)CNC(=O)C(=O)Nc1ccccc1O[*:1]
CCC1(CNC(=O)C(=O)Nc2ccccc2OC2CCCC2)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1OC1CCCC1
CCC1(CNC(=O)C(=O)Nc2ccccc2OC2CCCC2)CC1 C1CCC(C1)O[*:1] CCC1(CC1)CNC(=O)C(=O)Nc1ccccc1[*:1]
CCC1(CNC(=O)C(=O)Nc2ccccc2OC2CCCC2)CC1 CCC1(CC1)C[*:1] O=C(Nc1ccccc1OC1CCCC1)C(=O)N[*:1]
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCCOc1ccc(Cl)cc1)c1c(C)cccc12 Clc1ccc(cc1)OC[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CC[*:1])c1c(C)cccc12
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCCOc1ccc(Cl)cc1)c1c(C)cccc12 Clc1ccc(cc1)OCCC[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(c1c(C)cccc12)[*:1]
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCCOc1ccc(Cl)cc1)c1c(C)cccc12 Clc1ccc(cc1)OCC[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C[*:1])c1c(C)cccc12
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCCOc1ccc(Cl)cc1)c1c(C)cccc12 Clc1ccc(cc1)[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCCO[*:1])c1c(C)cccc12
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCCOc1ccc(Cl)cc1)c1c(C)cccc12 Clc1ccc(cc1)O[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCC[*:1])c1c(C)cccc12
CC(=O)c1cccc(NC(=O)NCCc2ccsc2)c1 c1cc(cs1)[*:1] CC(=O)c1cccc(c1)NC(=O)NCC[*:1]
CC(=O)c1cccc(NC(=O)NCCc2ccsc2)c1 CC(=O)[*:1] O=C(NCCc1ccsc1)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)NCCc2ccsc2)c1 c1cc(cs1)C[*:1] CC(=O)c1cccc(c1)NC(=O)NC[*:1]
COc1cc(C)c(C(=O)NCc2ccc(Cn3cncn3)cc2)cc1OC c1ncn(C[*:1])n1 COc1cc(C)c(cc1OC)C(=O)NCc1ccc(cc1)[*:1]
COc1cc(C)c(C(=O)NCc2ccc(Cn3cncn3)cc2)cc1OC c1ncn(n1)[*:1] COc1cc(C)c(cc1OC)C(=O)NCc1ccc(cc1)C[*:1]
O=C(c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1cn(cn1)-c1ccc(cn1)-c1nc(no1)C1CC1)N1CCN(CC1)[*:1]
O=C(c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)N1CCN(c2ccccc2F)CC1 C1CC1c1noc(n1)[*:1] O=C(c1cn(cn1)-c1ccc(cn1)[*:1])N1CCN(CC1)c1ccccc1F
O=C(c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)N1CCN(c2ccccc2F)CC1 C1CC1[*:1] O=C(c1cn(cn1)-c1ccc(cn1)-c1nc(no1)[*:1])N1CCN(CC1)c1ccccc1F
Cc1ccc([C@@H](C)NCc2nc(C3CC3)cs2)cc1C C1CC1[*:1] Cc1ccc(cc1C)[C@@H](C)NCc1nc(cs1)[*:1]
Cc1ccc2ncc(C(=O)N3CCC[C@@H]3CC(C)C)n2c1 CC(C)C[*:1] Cc1ccc2ncc(C(=O)N3CCC[C@H]3[*:1])n2c1
Cc1ccc2ncc(C(=O)N3CCC[C@@H]3CC(C)C)n2c1 CC(C)[*:1] Cc1ccc2ncc(C(=O)N3CCC[C@@H]3C[*:1])n2c1
C=CCN(CC=C)C(=O)CSc1ccc2ccccc2c1 C=CC[*:1] C=CCN(C(=O)CSc1ccc2ccccc2c1)[*:1]
O=C1c2cc(Br)ccc2-c2c1cc(Br)cc2[N+](=O)[O-] O=[N+]([O-])[*:1] O=C1c2cc(Br)ccc2-c2c1cc(Br)cc2[*:1]
CCC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@@]1(C)CCCO1 C[C@]1(CCCO1)[*:1] CCC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[*:1]
CCC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@@]1(C)CCCO1 CCC[*:1] Cc1nn(C)c(C[C@H]([NH2+][*:1])[C@@]2(C)CCCO2)c1Cl
COc1cc(OC)c(C2=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)O2)cc1Br O=[N+]([O-])c1cccc(c1)[*:1] COc1cc(OC)c(cc1Br)C1=NN(C(C)=O)[C@H](O1)[*:1]
COc1cc(OC)c(C2=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)O2)cc1Br O=[N+]([O-])[*:1] COc1cc(OC)c(cc1Br)C1=NN(C(C)=O)[C@@H](O1)c1cccc(c1)[*:1]
CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 CCOC(=O)[*:1] C[C@@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)N1CCC(CC1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 NC(=O)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1)N1CCC[C@@H](C1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 c1cc2CCCCc2cc1[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCc1ccccc1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F FC(F)(F)[*:1] O=C(NCc1ccccc1)c1cnn2c1N[C@@H](C[C@H]2[*:1])c1ccco1
O=C(NCc1ccccc1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F c1coc(c1)[*:1] O=C(NCc1ccccc1)c1cnn2c1N[C@H](C[C@@H]2C(F)(F)F)[*:1]
O=C(NCc1ccccc1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F c1ccc(cc1)[*:1] O=C(NC[*:1])c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)c1ccco1
O=C(NCc1ccccc1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F c1ccc(cc1)C[*:1] O=C(N[*:1])c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)c1ccco1
NC(=O)CC[C@H]1CCCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 NC(=O)[*:1] O=S(=O)(Cc1cccc(c1)C(F)(F)F)N1CCC[C@H](CC[*:1])C1
NC(=O)CC[C@H]1CCCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 NC(=O)C[*:1] O=S(=O)(Cc1cccc(c1)C(F)(F)F)N1CCC[C@@H](C1)C[*:1]
NC(=O)CC[C@H]1CCCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 NC(=O)CC[*:1] O=S(=O)(Cc1cccc(c1)C(F)(F)F)N1CCC[C@@H](C1)[*:1]
NC(=O)CC[C@H]1CCCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] NC(=O)CC[C@H]1CCCN(C1)S(=O)(=O)Cc1cccc(c1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](C1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)N1CCC[C@@H](C1)C(=O)[O-]
Cc1c(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)sc2ncn(C)c(=O)c12 Fc1cccc(c1)[*:1] Cc1c(sc2ncn(C)c(=O)c12)C(=O)Nc1ccc(cc1)O[*:1]
Cc1c(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)sc2ncn(C)c(=O)c12 Fc1cccc(c1)O[*:1] Cc1c(sc2ncn(C)c(=O)c12)C(=O)Nc1ccc(cc1)[*:1]
N#C[C@@H](COC(=O)c1cccc(-n2cnnn2)c1)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#C[C@@H](COC(=O)c1cccc(c1)-n1cnnn1)C[*:1]
N#C[C@@H](COC(=O)c1cccc(-n2cnnn2)c1)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] N#C[C@@H](COC(=O)c1cccc(c1)-n1cnnn1)[*:1]
N#C[C@@H](COC(=O)c1cccc(-n2cnnn2)c1)Cc1ccc(F)cc1 c1nnnn1[*:1] N#C[C@@H](COC(=O)c1cccc(c1)[*:1])Cc1ccc(F)cc1
CCc1nc([C@@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)no1 CCc1nc(no1)[*:1] Cc1c(oc2ccccc12)C(=O)N1CCC[C@H](C1)[*:1]
COc1cc(OC)cc(C(=O)N2CCN=C2SCc2c(F)cccc2Cl)c1 Fc1cccc(Cl)c1[*:1] COc1cc(cc(c1)C(=O)N1CCN=C1SC[*:1])OC
COc1cc(OC)cc(C(=O)N2CCN=C2SCc2c(F)cccc2Cl)c1 Fc1cccc(Cl)c1C[*:1] COc1cc(cc(c1)C(=O)N1CCN=C1S[*:1])OC
[NH3+]CC1CCC(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 O=C([O-])[*:1] [NH3+]CC1CCC(CC1)C(=O)NCc1ccc(cc1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 Fc1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)N1CCC(CC1)C(=O)N1CCOCC1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 O=C(N1CCOCC1)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(CC1)[*:1]
CC(C)NC(=O)C[NH+]1CCN(C(=O)CCl)CC1 CC(C)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)CCl)N[*:1]
CCC[NH2+]Cc1cncc(Oc2cc(C)cc(C)c2)n1 CCC[*:1] Cc1cc(C)cc(c1)Oc1cncc(C[NH2+][*:1])n1
COC(=O)C1=CNC(=O)C[C@H]1c1ccccc1 COC(=O)[*:1] O=C1C[C@H](C(=CN1)[*:1])c1ccccc1
Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](C)C(=O)NC3CCCC3)n2)cc1 c1ccc2ncc(cc2c1)[*:1] Cc1ccc(cc1)-c1nnn(CC(=O)N([C@H](C)C(=O)NC2CCCC2)[*:1])n1
Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](C)C(=O)NC3CCCC3)n2)cc1 O=C(NC1CCCC1)[*:1] Cc1ccc(cc1)-c1nnn(CC(=O)N(c2cnc3ccccc3c2)[C@H](C)[*:1])n1
Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](C)C(=O)NC3CCCC3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(n1)[*:1])c1cnc2ccccc2c1
Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](C)C(=O)NC3CCCC3)n2)cc1 Cc1ccc(cc1)-c1nnn(n1)[*:1] C[C@H](C(=O)NC1CCCC1)N(C(=O)C[*:1])c1cnc2ccccc2c1
Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](C)C(=O)NC3CCCC3)n2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)-c1nnn(CC(=O)N(c2cnc3ccccc3c2)[C@H](C)C(=O)N[*:1])n1
COC(=O)[C@@]1(C)C[C@@]1(C)C(=O)OC COC(=O)[*:1] COC(=O)[C@]1(C)C[C@@]1(C)[*:1]
Cc1ccccc1/C=N/NC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1/C=N/NC(=O)CC[*:1]
NNC(=O)c1ccc(COc2ccc(C(N)=O)cc2)nc1 NC(=O)[*:1] NNC(=O)c1ccc(COc2ccc(cc2)[*:1])nc1
NNC(=O)c1ccc(COc2ccc(C(N)=O)cc2)nc1 NNC(=O)[*:1] NC(=O)c1ccc(cc1)OCc1ccc(cn1)[*:1]
CC[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2cn(C)nc2C)C1 Cc1nn(C)cc1[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)N[C@@H](C)[*:1]
Cc1cccc(/C=C2\Sc3ccc(C(=O)NC[C@@H]4CCCO4)cc3N(C)C2=O)c1 O=C(NC[C@@H]1CCCO1)[*:1] Cc1cccc(/C=C2\Sc3ccc(cc3N(C)C2=O)[*:1])c1
Cc1cccc(/C=C2\Sc3ccc(C(=O)NC[C@@H]4CCCO4)cc3N(C)C2=O)c1 Cc1cccc(c1)[*:1] CN1C(=O)C(=C[*:1])Sc2ccc(cc21)C(=O)NC[C@@H]1CCCO1
Cc1ccc2cccc(NC(=O)c3cnn(CC(C)C)c3C(F)F)c2n1 CC(C)C[*:1] Cc1ccc2cccc(NC(=O)c3cnn(c3C(F)F)[*:1])c2n1
Cc1ccc2cccc(NC(=O)c3cnn(CC(C)C)c3C(F)F)c2n1 CC(C)[*:1] Cc1ccc2cccc(NC(=O)c3cnn(C[*:1])c3C(F)F)c2n1
Cc1ccc2cccc(NC(=O)c3cnn(CC(C)C)c3C(F)F)c2n1 FC(F)[*:1] Cc1ccc2cccc(NC(=O)c3cnn(CC(C)C)c3[*:1])c2n1
C[C@H]1C[C@@H](Nc2ncc(S(N)(=O)=O)s2)CN1c1ccccc1 NS(=O)(=O)[*:1] C[C@H]1C[C@H](CN1c1ccccc1)Nc1ncc(s1)[*:1]
C[C@H]1C[C@@H](Nc2ncc(S(N)(=O)=O)s2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1[*:1])Nc1ncc(s1)S(N)(=O)=O
CN(C)S(=O)(=O)Nc1ccc([C@@H]2CCc3nncn3C2)cc1 CN(C)S(=O)(=O)N[*:1] c1cc(ccc1[C@@H]1CCc2nncn2C1)[*:1]
COC(=O)/C(C#N)=C/c1c(N2CCC(C)CC2)nc2c(C)cccn2c1=O COC(=O)[*:1] Cc1cccn2c(=O)c(C=C(C#N)[*:1])c(nc12)N1CCC(C)CC1
COC(=O)/C(C#N)=C/c1c(N2CCC(C)CC2)nc2c(C)cccn2c1=O COC(=O)C(C#N)=C[*:1] Cc1cccn2c(=O)c(c(nc12)N1CCC(C)CC1)[*:1]
COC(=O)/C(C#N)=C/c1c(N2CCC(C)CC2)nc2c(C)cccn2c1=O CC1CCN(CC1)[*:1] COC(=O)/C(C#N)=C/c1c(nc2c(C)cccn2c1=O)[*:1]
O=C1N=C(c2ccc([N+](=O)[O-])o2)N=C2S[C@@H]3CCCCC3=C12 O=[N+]([O-])[*:1] O=C1N=C(N=C2S[C@@H]3CCCCC3=C12)c1ccc(o1)[*:1]
Cc1ccccc1[C@H]1CCCN1c1ncnc2sc(C)c(C)c12 Cc1ccccc1[*:1] Cc1sc2ncnc(c2c1C)N1CCC[C@@H]1[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@@]23C[C@@H]2CC=C[C@@H]23)cc1 COc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@@]2(C[C@@H]3CC=C[C@@H]32)N1[*:1]
O=C(CSc1cccc(Br)c1)[C@@H]1CCOC2(CCCC2)C1 Brc1cccc(c1)[*:1] O=C(CS[*:1])[C@@H]1CCOC2(CCCC2)C1
Cc1c(C(=O)Nc2ccccc2C(=O)NC2CC2)sc2nc3n(c(=O)c12)CCCCC3 C1CC1[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1c(C(=O)Nc2ccccc2C(=O)NC2CC2)sc2nc3n(c(=O)c12)CCCCC3 O=C(NC1CC1)[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)Nc1ccccc1[*:1]
CC[NH+]1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)nn2)CC1 Cc1ccc(c(C)c1)[*:1] CC[NH+]1CCN(CC1)c1ccc(nn1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)C[C@H](C)S(=O)(=O)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1 Cc1noc(C)c1[*:1] C[C@@H](CC(=O)N[C@H](C)[*:1])S(=O)(=O)c1ccc(F)cc1
COc1ccc([C@H](C)NC(=O)[C@H](C)OC)c(OC)c1 CO[C@@H](C)[*:1] COc1ccc(c(c1)OC)[C@H](C)NC(=O)[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 CC(C)(C)[*:1] O=C(Nc1ccnn1[*:1])C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21
N#Cc1ccccc1C(=O)NC[C@H]1CCCN(c2ncccn2)C1 N#Cc1ccccc1[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
N#Cc1ccccc1C(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] N#Cc1ccccc1C(=O)NC[C@H]1CCCN(C1)[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ncccc1C)C2 Cc1cccnc1[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N[*:1]
Cc1ccc([C@H](C)[NH2+][C@H](CO)C(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(c(C)c1)[C@H](C)[NH2+][C@H](CO)[*:1]
O=C(C1CCCC1)N1CCN(CN2C(=O)[C@@H]3CCC[C@@H]32)CC1 C1CCC(C1)[*:1] O=C1[C@@H]2CCC[C@@H]2N1CN1CCN(CC1)C(=O)[*:1]
CCC[C@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 c1csc(c1)[*:1] CCC[C@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[*:1]
CCC[C@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 CCC[*:1] O=C(N[C@@H]1C[C@@H]1[*:1])[C@@H]1CCCN1C(=O)c1cccs1
COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3snnc3C)sc2c1 Cc1nnsc1[*:1] COc1ccc2nc(sc2c1)N(CC[NH+](C)C)C(=O)[*:1]
CCCCCC[C@@H](C)NC(=O)Nc1nnc(C)s1 Cc1nnc(s1)[*:1] CCCCCC[C@@H](C)NC(=O)N[*:1]
CCCCCC[C@@H](C)NC(=O)Nc1nnc(C)s1 CCC[*:1] Cc1nnc(NC(=O)N[C@H](C)CCC[*:1])s1
CCCCCC[C@@H](C)NC(=O)Nc1nnc(C)s1 CCCCC[*:1] Cc1nnc(NC(=O)N[C@H](C)C[*:1])s1
CCCCCC[C@@H](C)NC(=O)Nc1nnc(C)s1 CCCCCC[*:1] Cc1nnc(NC(=O)N[C@H](C)[*:1])s1
CCCCCC[C@@H](C)NC(=O)Nc1nnc(C)s1 CCCC[*:1] Cc1nnc(NC(=O)N[C@H](C)CC[*:1])s1
CC[C@H](C)[NH2+]CC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@H](C)[NH2+]CC(=O)Nc1cccc(c1)NC(=O)[*:1]
O=C(Cn1c(=O)cnc2ccccc21)N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)cnc2ccccc21)N1CCN(CC1)C(=O)[*:1]
C#CCOC(=O)c1cc(OC)c(OC(F)F)c(OC)c1 C#CC[*:1] COc1cc(cc(OC)c1OC(F)F)C(=O)O[*:1]
C#CCOC(=O)c1cc(OC)c(OC(F)F)c(OC)c1 C#CCOC(=O)[*:1] COc1cc(cc(OC)c1OC(F)F)[*:1]
C#CCOC(=O)c1cc(OC)c(OC(F)F)c(OC)c1 FC(F)[*:1] C#CCOC(=O)c1cc(OC)c(O[*:1])c(c1)OC
C#CCOC(=O)c1cc(OC)c(OC(F)F)c(OC)c1 FC(F)O[*:1] C#CCOC(=O)c1cc(OC)c(c(c1)OC)[*:1]
O=C(CNC(=O)c1ccc(Br)cc1)N/N=C/[C@@H]1C=CC=N1 Brc1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N/N=C/[C@@H]1C=CC=N1
COC(C)(C)C[C@]1(C)C[NH+]=C(N)N1c1cccc(Br)c1 COC(C)(C)[*:1] C[C@]1(C[NH+]=C(N)N1c1cccc(Br)c1)C[*:1]
COC(C)(C)C[C@]1(C)C[NH+]=C(N)N1c1cccc(Br)c1 COC(C)(C)C[*:1] C[C@@]1(C[NH+]=C(N)N1c1cccc(Br)c1)[*:1]
Cc1cc(NC(=O)Nc2ccc(F)cc2F)n(Cc2ccccc2)n1 Fc1ccc(c(F)c1)[*:1] Cc1cc(NC(=O)N[*:1])n(Cc2ccccc2)n1
Cc1cc(NC(=O)Nc2ccc(F)cc2F)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)Nc2ccc(F)cc2F)n(C[*:1])n1
Cc1cc(NC(=O)Nc2ccc(F)cc2F)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)Nc2ccc(F)cc2F)n(n1)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(C[*:1])s1 CN(C(=O)C[C@@H](O)c1ccc(Cl)cc1)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(Cc1ccc(Cl)s1)C(=O)C[C@@H](O)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(s1)[*:1] CN(C[*:1])C(=O)C[C@@H](O)c1ccc(Cl)cc1
CCN(CC)C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21 Clc1ccccc1[*:1] CCN(CC)C(=O)Cn1cc(c2ccccc21)S(=O)(=O)C[*:1]
CCN(CC)C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21 CCN(CC)C(=O)C[*:1] O=S(=O)(Cc1ccccc1Cl)c1cn(c2ccccc12)[*:1]
CCN(CC)C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21 Clc1ccccc1C[*:1] CCN(CC)C(=O)Cn1cc(c2ccccc21)S(=O)(=O)[*:1]
CCN(CC)C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21 CCN(CC)C(=O)[*:1] O=S(=O)(Cc1ccccc1Cl)c1cn(C[*:1])c2ccccc12
CC(C)CCC(=O)NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 CC(C)CC[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CNC(=O)[*:1]
CC(C)CCC(=O)NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 CC(C)[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CNC(=O)CC[*:1]
CC(C)CCC(=O)NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 CC(C)C[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CNC(=O)C[*:1]
c1nc(C[NH2+]Cc2cncn2C2CC2)c[nH]1 C1CC1[*:1] c1nc(c[nH]1)C[NH2+]Cc1cncn1[*:1]
c1nc(C[NH2+]Cc2cncn2C2CC2)c[nH]1 c1nc(c[nH]1)[*:1] c1ncn(c1C[NH2+]C[*:1])C1CC1
N#CCCN1CC[NH+](Cc2ccco2)CC1 N#CC[*:1] c1coc(c1)C[NH+]1CCN(CC1)C[*:1]
N#CCCN1CC[NH+](Cc2ccco2)CC1 N#CCC[*:1] c1coc(c1)C[NH+]1CCN(CC1)[*:1]
N#CCCN1CC[NH+](Cc2ccco2)CC1 c1coc(c1)[*:1] N#CCCN1CC[NH+](CC1)C[*:1]
O=C(CCCc1ccccc1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F c1ccc(cc1)[*:1] O=C(CCC[*:1])N1N=C(C[C@@]1(O)C(F)(F)F)C1CCCCC1
O=C(CCCc1ccccc1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F C1CCC(CC1)[*:1] O=C(CCCc1ccccc1)N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
O=C(CCCc1ccccc1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] O=C(CCCc1ccccc1)N1N=C(C[C@]1(O)[*:1])C1CCCCC1
O=C(CCCc1ccccc1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F c1ccc(cc1)C[*:1] O=C(CC[*:1])N1N=C(C[C@@]1(O)C(F)(F)F)C1CCCCC1
O=C(CCCc1ccccc1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F c1ccc(cc1)CC[*:1] O=C(C[*:1])N1N=C(C[C@@]1(O)C(F)(F)F)C1CCCCC1
O=C(CCCc1ccccc1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F c1ccc(cc1)CCC[*:1] O=C(N1N=C(C[C@@]1(O)C(F)(F)F)C1CCCCC1)[*:1]
Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n(C[C@@H]2CCCO2)c1C O=[N+]([O-])[*:1] Cc1nc(SCC(=O)Nc2ccc(cc2Cl)[*:1])n(C[C@@H]2CCCO2)c1C
COc1ccc(C2(CNC(=O)N(C)C3CCOCC3)CCCCC2)cc1 COc1ccc(cc1)[*:1] CN(C(=O)NCC1(CCCCC1)[*:1])C1CCOCC1
COc1ccc(C2(CNC(=O)N(C)C3CCOCC3)CCCCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)C1(CCCCC1)CNC(=O)N(C)[*:1]
C/C(=N\Nc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N)c1ccccn1 c1ccc(nc1)[*:1] CC(=NNc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N)[*:1]
C/C(=N\Nc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1N)c1ccccn1 Cc1ccc(cc1C)[*:1] C/C(=N\Nc1nnc(SCC(=O)N[*:1])n1N)c1ccccn1
CCN(Cc1ccccc1)C(=O)CS(=O)(=O)Cc1ncc(Cl)n1C Cn1c(Cl)cnc1[*:1] CCN(Cc1ccccc1)C(=O)CS(=O)(=O)C[*:1]
CCN(Cc1ccccc1)C(=O)CS(=O)(=O)Cc1ncc(Cl)n1C c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CS(=O)(=O)Cc1ncc(Cl)n1C
CCN(Cc1ccccc1)C(=O)CS(=O)(=O)Cc1ncc(Cl)n1C c1ccc(cc1)C[*:1] CCN(C(=O)CS(=O)(=O)Cc1ncc(Cl)n1C)[*:1]
O=C(CCNC(=O)c1c[nH]c2nc(-c3ccccc3)ccc12)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] O=C(NCC[*:1])c1c[nH]c2nc(ccc12)-c1ccccc1
O=C(CCNC(=O)c1c[nH]c2nc(-c3ccccc3)ccc12)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCNC(=O)c1c[nH]c2nc(ccc12)-c1ccccc1)N[*:1]
O=C(CCNC(=O)c1c[nH]c2nc(-c3ccccc3)ccc12)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCNC(=O)c1c[nH]c2nc(ccc12)-c1ccccc1)NC[*:1]
O=C(CCNC(=O)c1c[nH]c2nc(-c3ccccc3)ccc12)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCNC(=O)c1c[nH]c2nc(ccc12)[*:1])NCc1ccccc1
CCC[NH2+][C@@H](c1ccsc1)c1cccc(OC(C)C)c1 CC(C)[*:1] CCC[NH2+][C@@H](c1ccsc1)c1cccc(c1)O[*:1]
CCC[NH2+][C@@H](c1ccsc1)c1cccc(OC(C)C)c1 CC(C)O[*:1] CCC[NH2+][C@@H](c1ccsc1)c1cccc(c1)[*:1]
CCC[NH2+][C@@H](c1ccsc1)c1cccc(OC(C)C)c1 CCC[*:1] CC(C)Oc1cccc(c1)[C@@H]([NH2+][*:1])c1ccsc1
CCC[NH2+][C@@H](c1ccsc1)c1cccc(OC(C)C)c1 c1cc(cs1)[*:1] CCC[NH2+][C@@H](c1cccc(c1)OC(C)C)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)c3cccc(OC)c3O)ccc21 CCC[*:1] COc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3[*:1])c1O
CC(=O)Nc1ccc(S[C@@H](C)c2nc(-c3ccncc3)no2)cc1 CC(=O)N[*:1] C[C@H](Sc1ccc(cc1)[*:1])c1nc(no1)-c1ccncc1
CC(=O)Nc1ccc(S[C@@H](C)c2nc(-c3ccncc3)no2)cc1 c1cc(ccn1)[*:1] CC(=O)Nc1ccc(cc1)S[C@@H](C)c1nc(no1)[*:1]
CCOC(=O)c1c(C)n(C)c2c1cc(O)c1c2c(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1c(C)n(C)c2c1cc(O)c1c2c(nn1-c1ccccc1)[*:1]
CCOC(=O)c1c(C)n(C)c2c1cc(O)c1c2c(-c2ccccc2)nn1-c1ccccc1 CCOC(=O)[*:1] Cc1c(c2cc(O)c3c(c(nn3-c3ccccc3)-c3ccccc3)c2n1C)[*:1]
CCOC(=O)c1c(C)n(C)c2c1cc(O)c1c2c(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1c(C)n(C)c2c1cc(O)c1c2c(nn1[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)Sc1nncn1C(C)(C)C c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)[C@@H](C)Sc1nncn1C(C)(C)C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)Sc1nncn1C(C)(C)C CC(C)(C)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)Sc1nncn1[*:1]
COc1ccccc1Nc1nc(N)nc(CSc2nc3cc(C)ccc3[nH]2)n1 COc1ccccc1N[*:1] Cc1ccc2[nH]c(nc2c1)SCc1nc(N)nc(n1)[*:1]
COc1ccccc1Nc1nc(N)nc(CSc2nc3cc(C)ccc3[nH]2)n1 COc1ccccc1[*:1] Cc1ccc2[nH]c(nc2c1)SCc1nc(N)nc(n1)N[*:1]
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)ccc1OC COC(=O)[*:1] COc1ccc(F)cc1C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCCCN(C(=O)COc1ccc2cc(Br)ccc2c1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(COc1ccc2cc(Br)ccc2c1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)COc1ccc2cc(Br)ccc2c1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(COc1ccc2cc(Br)ccc2c1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
OCC[NH+]1CCC(c2nccnc2Oc2ccccc2F)CC1 Fc1ccccc1[*:1] OCC[NH+]1CCC(CC1)c1nccnc1O[*:1]
COc1ccc([C@H](CN2CC[NH+](C)CC2)NC(=O)c2ccc3c(c2)CCC3)cc1 c1cc2CCCc2cc1[*:1] COc1ccc(cc1)[C@H](CN1CC[NH+](C)CC1)NC(=O)[*:1]
COc1ccc([C@H](CN2CC[NH+](C)CC2)NC(=O)c2ccc3c(c2)CCC3)cc1 COc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C[C@H](NC(=O)c1ccc2CCCc2c1)[*:1]
C[C@H](NC(=O)N(C)[C@@H](C)Cc1cccs1)c1cccc(-n2cncn2)c1 C[C@@H](Cc1cccs1)[*:1] C[C@H](NC(=O)N(C)[*:1])c1cccc(c1)-n1cncn1
C[C@H](NC(=O)N(C)[C@@H](C)Cc1cccs1)c1cccc(-n2cncn2)c1 c1csc(c1)[*:1] C[C@H](NC(=O)N(C)[C@@H](C)C[*:1])c1cccc(c1)-n1cncn1
C[C@H](NC(=O)N(C)[C@@H](C)Cc1cccs1)c1cccc(-n2cncn2)c1 c1ncn(n1)[*:1] C[C@H](NC(=O)N(C)[C@@H](C)Cc1cccs1)c1cccc(c1)[*:1]
C[C@H](NC(=O)N(C)[C@@H](C)Cc1cccs1)c1cccc(-n2cncn2)c1 c1csc(c1)C[*:1] C[C@H](NC(=O)N(C)[C@@H](C)[*:1])c1cccc(c1)-n1cncn1
Cc1ccc(CNc2ncnc(N(C)C)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] CN(C)c1ncnc(NC[*:1])c1[N+](=O)[O-]
Cc1ccc(CNc2ncnc(N(C)C)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CNc1ncnc(c1[*:1])N(C)C
Cc1ccc(CNc2ncnc(N(C)C)c2[N+](=O)[O-])cc1 CN(C)[*:1] Cc1ccc(cc1)CNc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1cn2c(=O)c(C(=O)NC[C@@H]3CCO[C@H]3C(C)C)cnc2s1 CC(C)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NC[C@@H]1CCO[C@@H]1[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)CCC(=O)Nc1nccs1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)CCC(=O)Nc1nccs1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)CCC(=O)Nc1nccs1 c1csc(n1)[*:1] Cc1ccc(cc1NC(=O)CCC(=O)N[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)CCC(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] Cc1ccc(cc1NC(=O)CC[*:1])-c1ncco1
O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 O=C1CCCC(=O)N1[*:1] O=S(=O)(CC[*:1])N1CCN(C[C@@H]1Cc1ccccc1)C1CC1
O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 O=C1CCCC(=O)N1C[*:1] O=S(=O)(C[*:1])N1CCN(C[C@@H]1Cc1ccccc1)C1CC1
O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(C[C@H]1[*:1])C1CC1
O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 C1CC1[*:1] O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(C[C@@H]1Cc1ccccc1)[*:1]
O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(C[C@@H]1C[*:1])C1CC1
Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1 C1CN(CCO1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1 Cc1cc(C)cc(c1)[*:1] O=C1C[C@@H](C(=O)N[*:1])c2c(nc([nH]c2=O)N2CCOCC2)N1
O=C(Cc1csc(-c2cnccn2)n1)Nc1ncc(-c2ccccc2)s1 c1cnc(cn1)[*:1] O=C(Cc1csc(n1)[*:1])Nc1ncc(s1)-c1ccccc1
O=C(Cc1csc(-c2cnccn2)n1)Nc1ncc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1cnccn1)Nc1ncc(s1)[*:1]
CCc1onc(C)c1NC(=O)CCC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)CCC(=O)[*:1]
CCOC(=O)C[C@H]1CC([O-])=C2C(=O)c3c(OC)ccc(Br)c3[C@H]2C1 CCOC(=O)[*:1] COc1ccc(Br)c2c1C(=O)C1=C([O-])C[C@@H](C[C@@H]12)C[*:1]
CCOC(=O)C[C@H]1CC([O-])=C2C(=O)c3c(OC)ccc(Br)c3[C@H]2C1 CCOC(=O)C[*:1] COc1ccc(Br)c2c1C(=O)C1=C([O-])C[C@@H](C[C@@H]12)[*:1]
Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])C(=O)N1CCC[C@@H]1c1ccccc1
Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N1CCC[C@H]1[*:1]
CC[C@H]1CCCCN1C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1=O Clc1ccc(cc1)[*:1] CC[C@H]1CCCCN1C(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N(C)[*:1]
CSCC(=O)NNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 CSC[*:1] Cc1ccc(cc1C(F)(F)F)S(=O)(=O)NNC(=O)[*:1]
CSCC(=O)NNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 FC(F)(F)[*:1] CSCC(=O)NNS(=O)(=O)c1ccc(C)c(c1)[*:1]
COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c1 COc1cccc(c1)[*:1] COc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1C(=O)[O-])N1N=C(C[C@@H]21)[*:1]
COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)C1C[C@H]2c3cccc(OC)c3O[C@H](c3ccc(OC)c(OC)c3[*:1])N2N=1
O=c1cc(C[NH+]2CCSCC2)occ1OCc1ccccc1 c1ccc(cc1)[*:1] O=c1cc(C[NH+]2CCSCC2)occ1OC[*:1]
O=c1cc(C[NH+]2CCSCC2)occ1OCc1ccccc1 c1ccc(cc1)C[*:1] O=c1cc(C[NH+]2CCSCC2)occ1O[*:1]
CO[C@H](C)C(=O)NC[C@@](C)(O)c1ccsc1 CO[C@H](C)[*:1] C[C@@](O)(CNC(=O)[*:1])c1ccsc1
CO[C@H](C)C(=O)NC[C@@](C)(O)c1ccsc1 c1cc(cs1)[*:1] CO[C@H](C)C(=O)NC[C@@](C)(O)[*:1]
CCC(C)(C)N(C)C(=O)c1ccc(Br)nc1 CCC(C)(C)[*:1] CN(C(=O)c1ccc(Br)nc1)[*:1]
CCOc1ccc(Br)cc1NC(=O)N1CCS(=O)(=O)CC1 CCO[*:1] O=C(Nc1cc(Br)ccc1[*:1])N1CCS(=O)(=O)CC1
CCOC(=O)[C@H](CC)N1CCN(C(=O)C[NH+]2CCCC2)CC1 CCOC(=O)[*:1] CC[C@H](N1CCN(CC1)C(=O)C[NH+]1CCCC1)[*:1]
Cc1ncccc1C(=O)N1CC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] Cc1ncccc1C(=O)N1CC[C@H](C1)[*:1]
CC(=O)[C@H](C)Sc1nncn1-c1ccccc1 CC(=O)[C@H](C)[*:1] c1ccc(cc1)-n1cnnc1S[*:1]
CC(=O)[C@H](C)Sc1nncn1-c1ccccc1 CC(=O)[*:1] C[C@H](Sc1nncn1-c1ccccc1)[*:1]
Cc1nc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)no1 Cc1nc(C[*:1])no1 Clc1cnc(c(Cl)c1)N1CCN(CC1)[*:1]
Cc1nc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)no1 Cc1nc(no1)[*:1] Clc1cnc(c(Cl)c1)N1CCN(CC1)C[*:1]
CC1=NN(CC(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 CC(C)[*:1] CC1Cn2c(nc3c2c(=O)n(C)c(=O)n3C)N(C[*:1])N=1
CC1=NN(CC(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 CC(C)C[*:1] CC1Cn2c(nc3c2c(=O)n(C)c(=O)n3C)N(N=1)[*:1]
Cc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc(Br)c3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(NCC1CC[NH+](CC1)[*:1])Nc1cccc(Br)c1
Cc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc(Br)c3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])Nc1cccc(Br)c1
Cc1ccc(C[NH+]2CCC(CNC(=O)Nc3cccc(Br)c3)CC2)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)C[NH+]1CCC(CC1)CNC(=O)N[*:1]
CSCC[C@@H](C)NC(=O)NCC1([NH+](C)C)CCOCC1 CSC[*:1] C[C@H](C[*:1])NC(=O)NCC1(CCOCC1)[NH+](C)C
CSCC[C@@H](C)NC(=O)NCC1([NH+](C)C)CCOCC1 CSCC[*:1] C[C@@H](NC(=O)NCC1(CCOCC1)[NH+](C)C)[*:1]
CSCC[C@@H](C)NC(=O)NCC1([NH+](C)C)CCOCC1 CSCC[C@@H](C)[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)N[*:1]
COC(=O)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)cs2)cc1 COC(=O)[*:1] Cc1csc(n1)N1C(=O)C([O-])=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(cc1)[*:1]
COC(=O)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)cs2)cc1 Cc1csc(n1)[*:1] COC(=O)c1ccc(cc1)[C@H]1C(C(=O)c2cc3ccccc3o2)=C([O-])C(=O)N1[*:1]
COC(=O)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)cs2)cc1 O=C(c1cc2ccccc2o1)[*:1] COC(=O)c1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1c1nc(C)cs1)[*:1]
COC(=O)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)cs2)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1csc(n1)N1C(=O)C([O-])=C(C(=O)c2cc3ccccc3o2)[C@@H]1[*:1]
COC(=O)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)cs2)cc1 c1ccc2oc(cc2c1)[*:1] COC(=O)c1ccc(cc1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nc(C)cs1
O=C(NC[C@@H]1COCCO1)c1nnn(-c2ccccc2F)c1-c1ccccn1 c1ccc(nc1)[*:1] O=C(NC[C@@H]1COCCO1)c1nnn(-c2ccccc2F)c1[*:1]
O=C(NC[C@@H]1COCCO1)c1nnn(-c2ccccc2F)c1-c1ccccn1 Fc1ccccc1[*:1] O=C(NC[C@@H]1COCCO1)c1nnn(c1-c1ccccn1)[*:1]
COc1ccccc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 Cc1ccccc1[*:1] COc1ccccc1NC(=O)CN(S(=O)(=O)c1ccc(C)cc1)[*:1]
COc1ccccc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)CN(c1ccccc1C)S(=O)(=O)[*:1]
COc1ccccc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 COc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[*:1])c1ccccc1C
O=C(NNC(=O)C1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 C1CC1[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
Cc1ccc(N)c(S(=O)(=O)N[C@@H](C)C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(N)c(c1)S(=O)(=O)N[C@@H](C)[*:1]
COCCNC(=O)c1ccc(C[S@](=O)c2cccc(Cl)c2)o1 COCCNC(=O)[*:1] O=[S@@](Cc1ccc(o1)[*:1])c1cccc(Cl)c1
COCCNC(=O)c1ccc(C[S@](=O)c2cccc(Cl)c2)o1 COCC[*:1] O=C(N[*:1])c1ccc(C[S@](=O)c2cccc(Cl)c2)o1
COCCNC(=O)c1ccc(C[S@](=O)c2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] COCCNC(=O)c1ccc(C[S@](=O)[*:1])o1
COCCNC(=O)c1ccc(C[S@](=O)c2cccc(Cl)c2)o1 COC[*:1] O=C(NC[*:1])c1ccc(C[S@](=O)c2cccc(Cl)c2)o1
Cc1ccc(Cl)cc1NC(=O)CS(=O)(=O)CC(F)(F)F FC(F)(F)[*:1] Cc1ccc(Cl)cc1NC(=O)CS(=O)(=O)C[*:1]
Cc1ccc(Cl)cc1NC(=O)CS(=O)(=O)CC(F)(F)F FC(F)(F)C[*:1] Cc1ccc(Cl)cc1NC(=O)CS(=O)(=O)[*:1]
N#CCSCCCOc1nc(-c2ccccc2Cl)no1 N#CC[*:1] Clc1ccccc1-c1noc(n1)OCCCS[*:1]
N#CCSCCCOc1nc(-c2ccccc2Cl)no1 N#CCSC[*:1] Clc1ccccc1-c1noc(n1)OCC[*:1]
N#CCSCCCOc1nc(-c2ccccc2Cl)no1 N#CCS[*:1] Clc1ccccc1-c1noc(n1)OCCC[*:1]
N#CCSCCCOc1nc(-c2ccccc2Cl)no1 N#CCSCC[*:1] Clc1ccccc1-c1noc(n1)OC[*:1]
CSc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 O=C(C[*:1])N1CCCC1 CSc1ccc(cc1)CNC(=O)N1CCN(CC1)[*:1]
CSc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 O=C(N1CCCC1)[*:1] CSc1ccc(cc1)CNC(=O)N1CCN(CC1)C[*:1]
CSc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 CSc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)NC[*:1])N1CCCC1
CCCCO[C@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1(C)C CCCCO[*:1] CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1C[C@@H](C1(C)C)[*:1]
CCCCO[C@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1(C)C CCC[*:1] CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1C[C@H](OC[*:1])C1(C)C
CCCCO[C@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1(C)C O=c1ccn(c(=O)[nH]1)[*:1] CCCCO[C@H]1C[C@H](N(C)C(=O)C[*:1])C1(C)C
CCCCO[C@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1(C)C CCCC[*:1] CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1C[C@H](O[*:1])C1(C)C
Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)c1cc(ncn1)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)c1cc(ncn1)-c1ccccc1)[*:1]
Nc1cc(CCCNC(=O)c2ccc(-n3ccnc3)nc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Nc1cc(CCCNC(=O)c2ccc(nc2)-n2ccnc2)nn1[*:1]
Nc1cc(CCCNC(=O)c2ccc(-n3ccnc3)nc2)nn1-c1ccccc1 c1cn(cn1)[*:1] Nc1cc(CCCNC(=O)c2ccc(nc2)[*:1])nn1-c1ccccc1
Cn1ccc2c(C(=O)N3CCC(C(N)=O)CC3)cccc21 NC(=O)[*:1] Cn1ccc2c(cccc21)C(=O)N1CCC(CC1)[*:1]
CCOC(=O)[C@]1(Nc2cc(C)cc(F)c2)CC[C@H](CC)C1 CCOC(=O)[*:1] CC[C@H]1CC[C@](C1)(Nc1cc(C)cc(F)c1)[*:1]
N#Cc1cccc(S(=O)(=O)N2CCc3nc(-c4ccccn4)nc(N4CCCCCC4)c3C2)c1 N#Cc1cccc(c1)[*:1] O=S(=O)(N1CCc2nc(nc(c2C1)N1CCCCCC1)-c1ccccn1)[*:1]
N#Cc1cccc(S(=O)(=O)N2CCc3nc(-c4ccccn4)nc(N4CCCCCC4)c3C2)c1 c1ccc(nc1)[*:1] N#Cc1cccc(c1)S(=O)(=O)N1CCc2nc(nc(c2C1)N1CCCCCC1)[*:1]
N#Cc1cccc(S(=O)(=O)N2CCc3nc(-c4ccccn4)nc(N4CCCCCC4)c3C2)c1 C1CCCN(CC1)[*:1] N#Cc1cccc(c1)S(=O)(=O)N1CCc2nc(nc(c2C1)[*:1])-c1ccccn1
O=C(Nc1nnc(-c2ccco2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1ccco1)[C@H]1CCCN1S(=O)(=O)[*:1]
O=C(Nc1nnc(-c2ccco2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 c1coc(c1)[*:1] O=C(Nc1nnc(o1)[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
Cc1cc(Cl)c(N)cc1S(=O)(=O)NCc1cscn1 c1nc(cs1)[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)NC[*:1]
Cc1cc(Cl)c(N)cc1S(=O)(=O)NCc1cscn1 c1nc(cs1)C[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)N[*:1]
Cc1cccc(C(=O)N(C)Cc2nccs2)n1 c1csc(n1)[*:1] Cc1cccc(n1)C(=O)N(C)C[*:1]
C[C@@H]1CN(Cn2nc(C(C)(C)C)[nH]c2=S)CCO1 CC(C)(C)[*:1] C[C@@H]1CN(CCO1)Cn1nc([nH]c1=S)[*:1]
Cc1cccc(CN2CCN(C(=O)CSc3nc(-c4ccc(Cl)cc4)n[nH]3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nc(n[nH]1)-c1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
Cc1cccc(CN2CCN(C(=O)CSc3nc(-c4ccc(Cl)cc4)n[nH]3)CC2)c1 Cc1cccc(c1)C[*:1] O=C(CSc1nc(n[nH]1)-c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
Cc1cccc(CN2CCN(C(=O)CSc3nc(-c4ccc(Cl)cc4)n[nH]3)CC2)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)CSc1nc(n[nH]1)[*:1]
O=S(=O)(/C=C/c1ccccc1)Nc1ccnn1Cc1ccsc1 c1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])Nc1ccnn1Cc1ccsc1
O=S(=O)(/C=C/c1ccccc1)Nc1ccnn1Cc1ccsc1 c1cc(cs1)C[*:1] O=S(=O)(/C=C/c1ccccc1)Nc1ccnn1[*:1]
O=S(=O)(/C=C/c1ccccc1)Nc1ccnn1Cc1ccsc1 c1cc(cs1)[*:1] O=S(=O)(/C=C/c1ccccc1)Nc1ccnn1C[*:1]
S=C(NCc1ccc(Cl)cc1)N1CCC2(CC1)OCCO2 Clc1ccc(cc1)[*:1] S=C(NC[*:1])N1CCC2(CC1)OCCO2
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3C(=O)[O-])cc2)c1 O=C([O-])c1ccccc1[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)[*:1]
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3C(=O)[O-])cc2)c1 O=C([O-])[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)c1ccccc1[*:1]
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3C(=O)[O-])cc2)c1 Cc1cccc(c1)C(=O)N[*:1] O=C(NNC(=O)c1ccccc1C(=O)[O-])c1ccc(cc1)[*:1]
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3C(=O)[O-])cc2)c1 Cc1cccc(c1)[*:1] O=C(NNC(=O)c1ccccc1C(=O)[O-])c1ccc(cc1)NC(=O)[*:1]
Cc1cc2ncc([C@@H](C)[NH2+]CC(C)(C)CC3CCOCC3)c(C)n2n1 C1CC(CCO1)C[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)[NH2+]CC(C)(C)[*:1]
Cc1cc2ncc([C@@H](C)[NH2+]CC(C)(C)CC3CCOCC3)c(C)n2n1 C1CC(CCO1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)[NH2+]CC(C)(C)C[*:1]
CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H](C)Oc1ccccc1 c1ccc(cc1)O[*:1] CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H](C)[*:1]
CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H](C)O[*:1]
CC(=O)C1=C(C)[C@@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)N=C1C CC(=O)[*:1] CC1=N[C@H](C(=O)N2CCN(CC2)c2cccc(C)c2C)C(C)=C1[*:1]
CC(=O)C1=C(C)[C@@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)N=C1C Cc1cccc(c1C)[*:1] CC(=O)C1C(C)=N[C@H](C(=O)N2CCN(CC2)[*:1])C=1C
O=C/C=C/c1cc(Cl)cc(Br)c1O O=CC=C[*:1] Oc1c(Br)cc(Cl)cc1[*:1]
Cc1nc2ccc(NC(=O)CSc3ccncc3)cc2s1 c1cc(ccn1)S[*:1] Cc1nc2ccc(cc2s1)NC(=O)C[*:1]
Cc1nc2ccc(NC(=O)CSc3ccncc3)cc2s1 c1cc(ccn1)[*:1] Cc1nc2ccc(cc2s1)NC(=O)CS[*:1]
C[C@@H](C(=O)Nc1ccccc1F)S(=O)(=O)Cc1nccn1C(F)F FC(F)n1ccnc1[*:1] C[C@@H](C(=O)Nc1ccccc1F)S(=O)(=O)C[*:1]
C[C@@H](C(=O)Nc1ccccc1F)S(=O)(=O)Cc1nccn1C(F)F FC(F)[*:1] C[C@@H](C(=O)Nc1ccccc1F)S(=O)(=O)Cc1nccn1[*:1]
C[C@@H](C(=O)Nc1ccccc1F)S(=O)(=O)Cc1nccn1C(F)F Fc1ccccc1[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1nccn1C(F)F
N#Cc1ccc2nc(N3CCO[C@@H](c4cccc(O)c4)C3)ccc2c1 Oc1cccc(c1)[*:1] N#Cc1ccc2nc(ccc2c1)N1CCO[C@@H](C1)[*:1]
CC(=O)c1cccc(OCC(=O)NCC(C)C)c1 CC(C)[*:1] CC(=O)c1cccc(c1)OCC(=O)NC[*:1]
CC(=O)c1cccc(OCC(=O)NCC(C)C)c1 CC(C)C[*:1] CC(=O)c1cccc(c1)OCC(=O)N[*:1]
CC(=O)c1cccc(OCC(=O)NCC(C)C)c1 CC(=O)[*:1] CC(C)CNC(=O)COc1cccc(c1)[*:1]
O=C1CC[C@H](C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)N1 c1ccc(cc1)C[*:1] O=C1CC[C@@H](N1)C(=O)Nc1ccc(OC(F)F)c(c1)[*:1]
O=C1CC[C@H](C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)N1 FC(F)O[*:1] O=C1CC[C@@H](N1)C(=O)Nc1ccc(c(c1)Cc1ccccc1)[*:1]
O=C1CC[C@H](C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)N1 c1ccc(cc1)[*:1] O=C1CC[C@@H](N1)C(=O)Nc1ccc(OC(F)F)c(c1)C[*:1]
O=C1CC[C@H](C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)N1 FC(F)[*:1] O=C1CC[C@@H](N1)C(=O)Nc1ccc(O[*:1])c(c1)Cc1ccccc1
CC(C)COc1ncc(CNC(=O)N2CCC[C@@H](CCO)C2)cc1Cl OCC[*:1] CC(C)COc1ncc(cc1Cl)CNC(=O)N1CCC[C@@H](C1)[*:1]
CC(C)COc1ncc(CNC(=O)N2CCC[C@@H](CCO)C2)cc1Cl CC(C)[*:1] O=C(NCc1cnc(OC[*:1])c(Cl)c1)N1CCC[C@@H](CCO)C1
CC(C)COc1ncc(CNC(=O)N2CCC[C@@H](CCO)C2)cc1Cl CC(C)CO[*:1] O=C(NCc1cnc(c(Cl)c1)[*:1])N1CCC[C@@H](CCO)C1
CC(C)COc1ncc(CNC(=O)N2CCC[C@@H](CCO)C2)cc1Cl CC(C)C[*:1] O=C(NCc1cnc(O[*:1])c(Cl)c1)N1CCC[C@@H](CCO)C1
COc1ccc(NC(C)=O)cc1NCc1nc2c(s1)CCC2 CC(=O)N[*:1] COc1ccc(cc1NCc1nc2CCCc2s1)[*:1]
C/C(=C/c1cnc(-c2ccsc2)s1)c1nc2sccc2c(=O)[nH]1 c1cc(cs1)[*:1] C/C(=C/c1cnc(s1)[*:1])c1nc2sccc2c(=O)[nH]1
[NH3+][C@H]1CCCCC[C@H]1c1nc2ccccc2n1C1CC1 C1CC1[*:1] [NH3+][C@H]1CCCCC[C@H]1c1nc2ccccc2n1[*:1]
COc1ccc(C(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)cc1 COc1ccc(cc1)[*:1] O=C(NCCn1cnc(cc1=O)-c1ccc(F)cc1)[*:1]
COc1ccc(C(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NCCn1cnc(cc1=O)[*:1]
CCn1cc(C(=O)NCCC(=O)NCc2ccco2)c(=O)c2cc3c(cc21)OCO3 O=C(NCc1ccco1)[*:1] CCn1cc(C(=O)NCC[*:1])c(=O)c2cc3OCOc3cc21
CCn1cc(C(=O)NCCC(=O)NCc2ccco2)c(=O)c2cc3c(cc21)OCO3 c1coc(c1)[*:1] CCn1cc(C(=O)NCCC(=O)NC[*:1])c(=O)c2cc3OCOc3cc21
CCn1cc(C(=O)NCCC(=O)NCc2ccco2)c(=O)c2cc3c(cc21)OCO3 O=C(C[*:1])NCc1ccco1 CCn1cc(C(=O)NC[*:1])c(=O)c2cc3OCOc3cc21
CCn1cc(C(=O)NCCC(=O)NCc2ccco2)c(=O)c2cc3c(cc21)OCO3 c1coc(c1)C[*:1] CCn1cc(C(=O)NCCC(=O)N[*:1])c(=O)c2cc3OCOc3cc21
COc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)cc1 COc1ccc(cc1)[*:1] Cc1cc2occ(CC(=O)N[*:1])c2c(C)c1Cl
C=CCNC(=O)[C@H](C)N1CCOC(C)(C)C1 C=CC[*:1] C[C@@H](C(=O)N[*:1])N1CCOC(C)(C)C1
Nc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] Nc1ccc2c(c1)CC[C@@H]2NC(=O)[*:1]
CCCNC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 CCC[*:1] C[C@@H]1CCC[C@@H]([NH2+]1)C(=O)N[*:1]
COc1ccc(/C=C/CBr)cc1Br BrCC=C[*:1] COc1ccc(cc1Br)[*:1]
Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)no1 Clc1ccc(cc1)[*:1] Cc1cc(no1)[C@@H]1CCCN1C(=O)c1cc(on1)[*:1]
Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)no1 Cc1cc(no1)[*:1] O=C(c1cc(on1)-c1ccc(Cl)cc1)N1CCC[C@H]1[*:1]
O=C(Cc1c(Cl)cccc1Cl)NCc1nc(-c2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] O=C(Cc1c(Cl)cccc1Cl)NCc1nc(no1)[*:1]
O=C(Cc1c(Cl)cccc1Cl)NCc1nc(-c2cccc(Cl)c2)no1 Clc1cccc(Cl)c1[*:1] O=C(C[*:1])NCc1nc(no1)-c1cccc(Cl)c1
C[C@@H](O)CC(C)(C)C[NH2+][C@H]1C[C@@H](C)N(C)C1 C[C@@H](O)C[*:1] C[C@@H]1C[C@@H](CN1C)[NH2+]CC(C)(C)[*:1]
C[C@@H](O)CC(C)(C)C[NH2+][C@H]1C[C@@H](C)N(C)C1 C[C@@H](O)[*:1] C[C@@H]1C[C@@H](CN1C)[NH2+]CC(C)(C)C[*:1]
CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1cnccn1 CCO[*:1] C[C@@H]([NH2+]Cc1ccc(Cl)cc1[*:1])c1cnccn1
CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1cnccn1 c1cnc(cn1)[*:1] CCOc1cc(Cl)ccc1C[NH2+][C@H](C)[*:1]
CC1CCN(S(=O)(=O)N[C@@H](C)Cc2ccco2)CC1 c1coc(c1)C[*:1] CC1CCN(CC1)S(=O)(=O)N[C@@H](C)[*:1]
CC1CCN(S(=O)(=O)N[C@@H](C)Cc2ccco2)CC1 c1coc(c1)[*:1] CC1CCN(CC1)S(=O)(=O)N[C@@H](C)C[*:1]
Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)c2c(C)nn(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)c2c(C)nn(c2n1)[*:1]
CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCc1ccco1 CC(C)[*:1] O=C(NCc1ccco1)C(=O)Nc1ccc(Br)cc1[*:1]
CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCc1ccco1 c1coc(c1)[*:1] CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[*:1]
CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCc1ccco1 c1coc(c1)C[*:1] CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[*:1]
CCC[C@H](C)NC(=O)c1ccc(C)cc1Cl CCC[C@H](C)[*:1] Cc1ccc(C(=O)N[*:1])c(Cl)c1
CCC[C@H](C)NC(=O)c1ccc(C)cc1Cl CCC[*:1] Cc1ccc(C(=O)N[C@@H](C)[*:1])c(Cl)c1
CC(=O)Nc1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)ccc1F CC(=O)N[*:1] O=C(c1ccc(F)c(c1)[*:1])N1CCO[C@@H]2CCCC[C@@H]21
CN(c1ccccc1)c1ccccc1C(=O)Nc1nccn(C)c1=O c1ccc(cc1)[*:1] CN(c1ccccc1C(=O)Nc1nccn(C)c1=O)[*:1]
CN(c1ccccc1)c1ccccc1C(=O)Nc1nccn(C)c1=O CN(c1ccccc1)[*:1] Cn1ccnc(NC(=O)c2ccccc2[*:1])c1=O
CN(c1ccccc1)c1ccccc1C(=O)Nc1nccn(C)c1=O Cn1ccnc(c1=O)[*:1] CN(c1ccccc1)c1ccccc1C(=O)N[*:1]
CCc1ccccc1NC(=O)[C@H](C)[S@@](=O)Cc1ccc(C(C)C)cc1 CC(C)[*:1] CCc1ccccc1NC(=O)[C@H](C)[S@@](=O)Cc1ccc(cc1)[*:1]
CCc1ccccc1NC(=O)[C@H](C)[S@@](=O)Cc1ccc(C(C)C)cc1 CCc1ccccc1[*:1] CC(C)c1ccc(cc1)C[S@](=O)[C@@H](C)C(=O)N[*:1]
C=C(C)CSc1n[nH]c(/C=C/c2ccc(C)o2)n1 C=C(C)C[*:1] Cc1ccc(/C=C/c2nc(n[nH]2)S[*:1])o1
C=C(C)CSc1n[nH]c(/C=C/c2ccc(C)o2)n1 Cc1ccc(o1)[*:1] C=C(C)CSc1n[nH]c(C=C[*:1])n1
C=C(C)CSc1n[nH]c(/C=C/c2ccc(C)o2)n1 C=C(C)CS[*:1] Cc1ccc(/C=C/c2nc(n[nH]2)[*:1])o1
C=C(C)CSc1n[nH]c(/C=C/c2ccc(C)o2)n1 C=C(C)[*:1] Cc1ccc(/C=C/c2nc(n[nH]2)SC[*:1])o1
C[C@H](C(=O)NC[C@@H]1CN(C)CCO1)C(N)=S NC(=S)[*:1] C[C@H](C(=O)NC[C@@H]1CN(C)CCO1)[*:1]
C[C@H](C(=O)NC[C@@H]1CN(C)CCO1)C(N)=S C[C@H](C(N)=S)[*:1] CN1CCO[C@H](CNC(=O)[*:1])C1
CNc1ccc(C(F)(F)F)cc1C(=O)Nc1cnoc1 FC(F)(F)[*:1] CNc1ccc(cc1C(=O)Nc1cnoc1)[*:1]
CNc1ccc(C(F)(F)F)cc1C(=O)Nc1cnoc1 c1nocc1[*:1] CNc1ccc(cc1C(=O)N[*:1])C(F)(F)F
O=C1CC[C@@H](n2nnc3ccccc32)N1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1CC[C@H](N1C[*:1])n1nnc2ccccc21
O=C1CC[C@@H](n2nnc3ccccc32)N1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1CC[C@H](N1CC[*:1])n1nnc2ccccc21
C=CCc1cc(C=O)cc(Cl)c1OCc1ccccc1 c1ccc(cc1)[*:1] C=CCc1cc(C=O)cc(Cl)c1OC[*:1]
C=CCc1cc(C=O)cc(Cl)c1OCc1ccccc1 C=CC[*:1] O=Cc1cc(Cl)c(OCc2ccccc2)c(c1)[*:1]
CCOC(=O)C1=C(c2ccccc2)Nc2nnnn2[C@@H]1c1ccc(OC)c(OC)c1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(Nc2nnnn2[C@@H]1c1ccc(OC)c(c1)OC)[*:1]
CCOC(=O)C1=C(c2ccccc2)Nc2nnnn2[C@@H]1c1ccc(OC)c(OC)c1 COc1ccc(cc1OC)[*:1] CCOC(=O)C1=C(Nc2nnnn2[C@H]1[*:1])c1ccccc1
CCOC(=O)C1=C(c2ccccc2)Nc2nnnn2[C@@H]1c1ccc(OC)c(OC)c1 CCOC(=O)[*:1] COc1ccc(cc1OC)[C@@H]1C(=C(Nc2nnnn21)c1ccccc1)[*:1]
COCCO[C@@H](C)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 COCCO[C@@H](C)[*:1] O=C(Nc1nc2c3CCCCc3ccc2s1)[*:1]
COCCO[C@@H](C)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 COCCO[*:1] C[C@@H](C(=O)Nc1nc2c3CCCCc3ccc2s1)[*:1]
COCCO[C@@H](C)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 COCC[*:1] C[C@H](O[*:1])C(=O)Nc1nc2c3CCCCc3ccc2s1
COCCO[C@@H](C)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 COC[*:1] C[C@H](OC[*:1])C(=O)Nc1nc2c3CCCCc3ccc2s1
C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)NC[*:1]
C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)N[*:1]
NS(=O)(=O)c1ccccc1C(F)(F)F NS(=O)(=O)[*:1] FC(F)(F)c1ccccc1[*:1]
NS(=O)(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] NS(=O)(=O)c1ccccc1[*:1]
Cc1cc(Cl)ccc1NC(=O)CSc1nc(-c2ccccc2F)n[nH]1 Cc1cc(Cl)ccc1[*:1] O=C(CSc1nc(n[nH]1)-c1ccccc1F)N[*:1]
Cc1cc(Cl)ccc1NC(=O)CSc1nc(-c2ccccc2F)n[nH]1 Fc1ccccc1[*:1] Cc1cc(Cl)ccc1NC(=O)CSc1nc(n[nH]1)[*:1]
C[C@H](Cc1ccccc1)C(=O)NC[C@](C)(O)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@H](C[*:1])C(=O)NC[C@](C)(O)c1ccc(F)cc1
C[C@H](Cc1ccccc1)C(=O)NC[C@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Cc1ccccc1)C(=O)NC[C@](C)(O)[*:1]
C[C@H](Cc1ccccc1)C(=O)NC[C@](C)(O)c1ccc(F)cc1 c1ccc(cc1)C[*:1] C[C@H](C(=O)NC[C@](C)(O)c1ccc(F)cc1)[*:1]
COc1ccc(-n2ncc(C(=O)Nc3c[nH]nc3C)c2C(F)(F)F)nn1 FC(F)(F)[*:1] COc1ccc(nn1)-n1ncc(C(=O)Nc2c[nH]nc2C)c1[*:1]
COc1ccc(-n2ncc(C(=O)Nc3c[nH]nc3C)c2C(F)(F)F)nn1 COc1ccc(nn1)[*:1] Cc1n[nH]cc1NC(=O)c1cnn(c1C(F)(F)F)[*:1]
COc1ccc(-n2ncc(C(=O)Nc3c[nH]nc3C)c2C(F)(F)F)nn1 Cc1n[nH]cc1[*:1] COc1ccc(nn1)-n1ncc(C(=O)N[*:1])c1C(F)(F)F
Cc1ccsc1-c1nc(C[NH+]2CCC(O)(CO)CC2)c(C)o1 Cc1ccsc1[*:1] Cc1oc(nc1C[NH+]1CCC(O)(CO)CC1)[*:1]
CCCc1cn(C2CC[NH+](C3CCN(C(C)C)CC3)CC2)nn1 CC(C)[*:1] CCCc1cn(nn1)C1CC[NH+](CC1)C1CCN(CC1)[*:1]
CCCc1cn(C2CC[NH+](C3CCN(C(C)C)CC3)CC2)nn1 CCC[*:1] CC(C)N1CCC(CC1)[NH+]1CCC(CC1)n1cc(nn1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 FC(F)(F)C[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)N[C@H]1CCN(C1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 CC(C)(C)[*:1] O=C(N[C@H]1CCN(C1)CC(F)(F)F)[C@H]1CCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)N[C@H]1CCN(C1)C[*:1]
CC[C@H](C)Oc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)N1CCO[C@@H](C1)[*:1]
CC[C@H](C)Oc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 CC[C@H](C)O[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCO[C@H](C1)c1ccc(F)cc1
CC[C@H](C)Oc1ccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 CC[C@H](C)[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CCO[C@H](C1)c1ccc(F)cc1
CC(C)CCOc1ccc(C[NH3+])nc1 CC(C)C[*:1] [NH3+]Cc1ccc(cn1)OC[*:1]
CC(C)CCOc1ccc(C[NH3+])nc1 CC(C)[*:1] [NH3+]Cc1ccc(cn1)OCC[*:1]
CC(=O)c1csc(NC(=O)c2scnc2C)n1 CC(=O)[*:1] Cc1ncsc1C(=O)Nc1nc(cs1)[*:1]
COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)c1 CC(C)(C)OC(=O)[*:1] COc1cccc(/C=C2\Oc3c(ccc(OC[*:1])c3C)C2=O)c1
COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)c1 CC(C)(C)[*:1] COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)O[*:1])c3C)C2=O)c1
COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)c1 CC(C)(C)OC(=O)C[*:1] COc1cccc(/C=C2\Oc3c(ccc(O[*:1])c3C)C2=O)c1
COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)c1 CC(C)(C)OC(=O)CO[*:1] COc1cccc(/C=C2\Oc3c(ccc(c3C)[*:1])C2=O)c1
COc1cccc(/C=C2\Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)c1 COc1cccc(c1)[*:1] Cc1c(ccc2C(=O)C(=C[*:1])Oc21)OCC(=O)OC(C)(C)C
Cn1c(CCC(=O)Nc2ccc(-c3ccccc3)cc2)nc(=O)c2ccccc21 c1ccc(cc1)[*:1] Cn1c(CCC(=O)Nc2ccc(cc2)[*:1])nc(=O)c2ccccc21
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4Cl)nn32)c(OC)c1 Clc1ccccc1CS[*:1] COc1ccc(c(c1)OC)[C@H]1C2C(=O)CCCC=2Nc2nc(nn21)[*:1]
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4Cl)nn32)c(OC)c1 Clc1ccccc1C[*:1] COc1ccc(c(c1)OC)[C@H]1C2C(=O)CCCC=2Nc2nc(nn21)S[*:1]
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4Cl)nn32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)[*:1])SCc1ccccc1Cl
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4Cl)nn32)c(OC)c1 Clc1ccccc1[*:1] COc1ccc(c(c1)OC)[C@H]1C2C(=O)CCCC=2Nc2nc(nn21)SC[*:1]
Cc1cc(C(=O)CCC(=O)NC[C@@H](O)c2ccccc2Cl)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CCC(=O)[*:1])NC[C@@H](O)c1ccccc1Cl
Cc1cc(C(=O)CCC(=O)NC[C@@H](O)c2ccccc2Cl)c(C)s1 Clc1ccccc1[*:1] Cc1cc(C(=O)CCC(=O)NC[C@@H](O)[*:1])c(C)s1
C=CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2 C=CC[*:1] Cc1ccc(cc1)-n1nc2CSCc2c1NC(=O)C(=O)N[*:1]
C=CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2 Cc1ccc(cc1)[*:1] C=CCNC(=O)C(=O)Nc1c2CSCc2nn1[*:1]
COC(=O)c1cncc(N2CC[C@H](C(=O)[O-])C2)n1 O=C([O-])[*:1] COC(=O)c1cncc(n1)N1CC[C@H](C1)[*:1]
COC(=O)c1cncc(N2CC[C@H](C(=O)[O-])C2)n1 COC(=O)[*:1] O=C([O-])[C@H]1CCN(C1)c1cncc(n1)[*:1]
Cc1n[nH]c2ncc(NC(=O)[C@@H](CC(C)C)N3CCCCC3=O)cc12 CC(C)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)[C@@H](C[*:1])N1CCCCC1=O
Cc1n[nH]c2ncc(NC(=O)[C@@H](CC(C)C)N3CCCCC3=O)cc12 O=C1CCCCN1[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)[C@@H](CC(C)C)[*:1]
Cc1n[nH]c2ncc(NC(=O)[C@@H](CC(C)C)N3CCCCC3=O)cc12 CC(C)C[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)[C@@H](N1CCCCC1=O)[*:1]
COC[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccccc1 c1ncn(n1)[*:1] COC[C@H](N[C@@H](C)c1ccc(cc1Cl)[*:1])c1ccccc1
COC[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] COC[C@H](N[C@@H](C)c1ccc(cc1Cl)-n1cncn1)[*:1]
COC[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccccc1 COC[*:1] C[C@H](N[C@H](c1ccccc1)[*:1])c1ccc(cc1Cl)-n1cncn1
COc1ccccc1/C=C1/SC(=O)N(CNc2ccccc2OC)C1=O COc1ccccc1[*:1] COc1ccccc1NCN1C(=O)SC(=C[*:1])C1=O
COc1ccccc1/C=C1/SC(=O)N(CNc2ccccc2OC)C1=O COc1ccccc1[*:1] COc1ccccc1/C=C1/SC(=O)N(CN[*:1])C1=O
CCCC(=O)/C(=C/NC(N)=O)C(=O)[O-] CCC[*:1] NC(=O)N/C=C(\C(=O)[O-])C(=O)[*:1]
CCCC(=O)/C(=C/NC(N)=O)C(=O)[O-] O=C([O-])[*:1] CCCC(=O)C(=CNC(N)=O)[*:1]
CCCC(=O)/C(=C/NC(N)=O)C(=O)[O-] NC(=O)N[*:1] CCCC(=O)C(=C[*:1])C(=O)[O-]
Cc1ccc(-n2[nH]c(C(=O)NCc3ccccc3C[NH+](C)C)cc2=O)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)Cc1ccccc1CNC(=O)c1cc(=O)n([nH]1)[*:1]
COc1c(C(=O)Nc2ccc(F)cc2)oc2ccc(NC(=O)Cc3ccccc3C)cc12 Cc1ccccc1C[*:1] COc1c(oc2ccc(cc12)NC(=O)[*:1])C(=O)Nc1ccc(F)cc1
COc1c(C(=O)Nc2ccc(F)cc2)oc2ccc(NC(=O)Cc3ccccc3C)cc12 Cc1ccccc1[*:1] COc1c(oc2ccc(cc12)NC(=O)C[*:1])C(=O)Nc1ccc(F)cc1
COc1c(C(=O)Nc2ccc(F)cc2)oc2ccc(NC(=O)Cc3ccccc3C)cc12 O=C(Nc1ccc(F)cc1)[*:1] COc1c(oc2ccc(cc12)NC(=O)Cc1ccccc1C)[*:1]
COc1c(C(=O)Nc2ccc(F)cc2)oc2ccc(NC(=O)Cc3ccccc3C)cc12 Fc1ccc(cc1)[*:1] COc1c(oc2ccc(cc12)NC(=O)Cc1ccccc1C)C(=O)N[*:1]
O=[N+]([O-])c1c(NCCCN2CCOCC2)ncnc1N1CCOCC1 O=[N+]([O-])[*:1] c1nc(NCCCN2CCOCC2)c(c(n1)N1CCOCC1)[*:1]
O=[N+]([O-])c1c(NCCCN2CCOCC2)ncnc1N1CCOCC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NCCCN1CCOCC1
O=[N+]([O-])c1c(NCCCN2CCOCC2)ncnc1N1CCOCC1 C1CN(CCO1)CC[*:1] O=[N+]([O-])c1c(ncnc1N1CCOCC1)NC[*:1]
O=[N+]([O-])c1c(NCCCN2CCOCC2)ncnc1N1CCOCC1 C1CN(CCO1)C[*:1] O=[N+]([O-])c1c(ncnc1N1CCOCC1)NCC[*:1]
O=[N+]([O-])c1c(NCCCN2CCOCC2)ncnc1N1CCOCC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCOCC1)NCCC[*:1]
CN(CC(=O)Nc1ccccc1N1CCOCC1)c1ccccc1 CN(c1ccccc1)[*:1] O=C(C[*:1])Nc1ccccc1N1CCOCC1
CN(CC(=O)Nc1ccccc1N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)Nc1ccccc1N1CCOCC1)[*:1]
CN(CC(=O)Nc1ccccc1N1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] CN(CC(=O)Nc1ccccc1[*:1])c1ccccc1
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 N#Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)N[C@H]1C[C@H]2CCCc3cccc1c32
COc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)ccc1OCC(=O)[O-] O=C([O-])[*:1] COc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)ccc1OC[*:1]
COc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)ccc1OCC(=O)[O-] Oc1ccc(Cl)cc1[*:1] COc1cc(/C=N/NC(=O)[*:1])ccc1OCC(=O)[O-]
COc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)ccc1OCC(=O)[O-] O=C([O-])CO[*:1] COc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)ccc1[*:1]
COc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)ccc1OCC(=O)[O-] O=C([O-])C[*:1] COc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)ccc1O[*:1]
COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(-c2ccsc2)oc1C c1cc(cs1)[*:1] COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(oc1C)[*:1]
COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(-c2ccsc2)oc1C COC(=O)[*:1] Cc1oc(nc1CN1CCNC(=O)[C@@H]1C[*:1])-c1ccsc1
COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(-c2ccsc2)oc1C COC(=O)C[*:1] Cc1oc(nc1CN1CCNC(=O)[C@@H]1[*:1])-c1ccsc1
O=S1(=O)N=C(NC[C@@H]2CCN(c3ccccc3)C2)c2ccccc21 c1ccc(cc1)[*:1] O=S1(=O)N=C(NC[C@@H]2CCN(C2)[*:1])c2ccccc21
COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)cc1 C1CC(CCO1)[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1)C1CCOCC1
COc1ccccc1/C=C(/C(=O)OCC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1/C=C(/C(=O)OCC(=O)N1C[C@@H](C)C[C@H](C)C1)[*:1]
COc1ccccc1/C=C(/C(=O)OCC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccccc1 COc1ccccc1[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)COC(=O)C(=C[*:1])c1ccccc1
COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1C(N)=O NC(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1
CC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)Nc1nccs1 c1csc(n1)[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)N[*:1])C(C)=O
CC#CC(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 CC#C[*:1] O=C(N1CCc2onc(-c3ccc(F)c(F)c3)c2C1)[*:1]
CCn1nc(C)c(NC(=O)c2csc(Cc3ccc(C)cc3)n2)c1C Cc1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)c2csc(C[*:1])n2)c1C
CCn1nc(C)c(NC(=O)c2csc(Cc3ccc(C)cc3)n2)c1C Cc1ccc(cc1)C[*:1] CCn1nc(C)c(NC(=O)c2csc(n2)[*:1])c1C
CC1(CNC(=O)CCCCO)CCCC1 OCC[*:1] CC1(CCCC1)CNC(=O)CC[*:1]
CC1(CNC(=O)CCCCO)CCCC1 OCCC[*:1] CC1(CCCC1)CNC(=O)C[*:1]
CC1(CNC(=O)CCCCO)CCCC1 OCCCC[*:1] CC1(CCCC1)CNC(=O)[*:1]
Cc1ccccc1-c1noc([C@H](C)SCC2(CO)COC2)n1 OCC1(COC1)[*:1] Cc1ccccc1-c1noc(n1)[C@H](C)SC[*:1]
Cc1ccccc1-c1noc([C@H](C)SCC2(CO)COC2)n1 Cc1ccccc1[*:1] C[C@H](SCC1(CO)COC1)c1nc(no1)[*:1]
C[C@@H](C(=O)Nc1ccc(Cl)cn1)n1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] C[C@@H](C(=O)Nc1ccc(Cl)cn1)n1cc(cn1)[*:1]
CN(c1ccccc1CNc1ccn(C)n1)C1CC[NH+](C)CC1 Cn1ccc(n1)N[*:1] CN(c1ccccc1C[*:1])C1CC[NH+](C)CC1
CN(c1ccccc1CNc1ccn(C)n1)C1CC[NH+](C)CC1 Cn1ccc(n1)[*:1] CN(c1ccccc1CN[*:1])C1CC[NH+](C)CC1
C[C@H](CC[NH2+][C@@H]1CCOC2(CCCC2)C1)CCC(=O)[O-] O=C([O-])CC[*:1] C[C@H](CC[NH2+][C@@H]1CCOC2(CCCC2)C1)[*:1]
C[C@H](CC[NH2+][C@@H]1CCOC2(CCCC2)C1)CCC(=O)[O-] O=C([O-])[*:1] C[C@H](CC[NH2+][C@@H]1CCOC2(CCCC2)C1)CC[*:1]
C[C@H](CC[NH2+][C@@H]1CCOC2(CCCC2)C1)CCC(=O)[O-] O=C([O-])C[*:1] C[C@H](CC[NH2+][C@@H]1CCOC2(CCCC2)C1)C[*:1]
Cc1cc(SC[C@@H]2CCCCO2)n2c(nc3ccccc32)c1C#N C1CC[C@H](OC1)[*:1] Cc1cc(SC[*:1])n2c(nc3ccccc32)c1C#N
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)N1CCC[C@H](C1)c1[nH+]ccn1C)[*:1]
N#Cc1ccc2nc(NCc3ccnc(OCC(F)F)c3)ccc2c1 FC(F)C[*:1] N#Cc1ccc2nc(ccc2c1)NCc1ccnc(c1)O[*:1]
N#Cc1ccc2nc(NCc3ccnc(OCC(F)F)c3)ccc2c1 FC(F)CO[*:1] N#Cc1ccc2nc(ccc2c1)NCc1ccnc(c1)[*:1]
N#Cc1ccc2nc(NCc3ccnc(OCC(F)F)c3)ccc2c1 FC(F)[*:1] N#Cc1ccc2nc(ccc2c1)NCc1ccnc(c1)OC[*:1]
CN(C[C@H]1COc2ccccc2O1)C(=S)NCc1ccccc1 c1ccc(cc1)[*:1] CN(C[C@H]1COc2ccccc2O1)C(=S)NC[*:1]
CN(C[C@H]1COc2ccccc2O1)C(=S)NCc1ccccc1 c1ccc(cc1)C[*:1] CN(C[C@H]1COc2ccccc2O1)C(=S)N[*:1]
COc1ccc(CN(C)C(=O)CCNC(=O)c2ccc(F)cc2F)cc1F Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1F)CN(C)C(=O)CCNC(=O)[*:1]
COc1ccc(CN(C)C(=O)CCNC(=O)c2ccc(F)cc2F)cc1F COc1ccc(cc1F)[*:1] CN(C[*:1])C(=O)CCNC(=O)c1ccc(F)cc1F
Cc1cnc(C(C)(C)NC(=O)NC[C@@H](C)Oc2ccccc2C)s1 Cc1ccccc1O[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NC[C@@H](C)[*:1]
Cc1cnc(C(C)(C)NC(=O)NC[C@@H](C)Oc2ccccc2C)s1 Cc1cnc(s1)[*:1] Cc1ccccc1O[C@H](C)CNC(=O)NC(C)(C)[*:1]
Cc1cnc(C(C)(C)NC(=O)NC[C@@H](C)Oc2ccccc2C)s1 Cc1ccccc1[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NC[C@@H](C)O[*:1]
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCCc1cccc(F)c1 CC(C)[*:1] C[C@H]1C[C@H]1CN(C(=O)NCCc1cccc(F)c1)[*:1]
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCCc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCC[*:1]
O=C(c1cccc(F)c1)N1CCN(c2nc3ccc(F)cc3s2)CC1 Fc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1nc2ccc(F)cc2s1)[*:1]
CC[C@@H](C)n1ncc(C(=O)NCc2ccc(Cl)nc2)c1C1CC1 Clc1ccc(cn1)[*:1] CC[C@@H](C)n1ncc(C(=O)NC[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NCc2ccc(Cl)nc2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NCc2ccc(Cl)nc2)c1[*:1]
C[C@@H](OC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1[N+](=O)[O-] c1cn(nn1)[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])c1ccccc1[N+](=O)[O-]
C[C@@H](OC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](OC(=O)c1ccc(cc1)-n1ccnn1)c1ccccc1[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccccc4)o3)CC2)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccccc4)o3)CC2)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nnc(o1)[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccccc4)o3)CC2)cc1 c1ccc(cc1)-c1nnc(o1)[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccccc4)o3)CC2)cc1 CS(=O)(=O)[*:1] O=C(Nc1nnc(o1)-c1ccccc1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)CS[C@H](C)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 COC(=O)CS[*:1] C[C@H](C(=O)Nc1nnc(s1)-c1ccc(F)cc1)[*:1]
COC(=O)CS[C@H](C)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 COC(=O)[*:1] C[C@@H](SC[*:1])C(=O)Nc1nnc(s1)-c1ccc(F)cc1
COC(=O)CS[C@H](C)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 COC(=O)C[*:1] C[C@@H](S[*:1])C(=O)Nc1nnc(s1)-c1ccc(F)cc1
COC(=O)CS[C@H](C)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] COC(=O)CS[C@H](C)C(=O)Nc1nnc(s1)[*:1]
CN(C)c1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cn1 c1cc(ccn1)C[*:1] CN(C)c1ccc(cn1)C(=O)Nc1ccn(C[*:1])n1
CN(C)c1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cn1 c1cc(ccn1)CC[*:1] CN(C)c1ccc(cn1)C(=O)Nc1ccn(n1)[*:1]
CN(C)c1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cn1 c1cc(ccn1)[*:1] CN(C)c1ccc(cn1)C(=O)Nc1ccn(CC[*:1])n1
CN(C)c1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cn1 CN(C)[*:1] O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(nc1)[*:1]
CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 O=S(=O)(N[*:1])c1cccs1 CC(C)[C@@H](C(=O)Nc1ccc2OC(F)(F)Oc2c1)[*:1]
CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 CC(C)[*:1] O=C(Nc1ccc2OC(F)(F)Oc2c1)[C@H](NS(=O)(=O)c1cccs1)[*:1]
CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 c1csc(c1)[*:1] CC(C)[C@@H](NS(=O)(=O)[*:1])C(=O)Nc1ccc2OC(F)(F)Oc2c1
CC(C)[C@@H](C)CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CC(C)[C@@H](C)[*:1] O=C(C[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
CC(C)[C@@H](C)CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CC(C)[*:1] C[C@@H](CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CC(C)[C@@H](C)CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CC(C)[C@@H](C)C[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
COc1ccc([C@H](CNC(=O)Nc2c(F)cccc2F)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1c(F)cccc1F)[*:1]
COc1ccc([C@H](CNC(=O)Nc2c(F)cccc2F)[NH+](C)C)cc1 Fc1cccc(F)c1[*:1] COc1ccc(cc1)[C@H](CNC(=O)N[*:1])[NH+](C)C
Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(C(=O)[O-])c2)C3)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC=21)c1cccc(c1)C(=O)[O-])[*:1]
Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(C(=O)[O-])c2)C3)cc1 O=C([O-])[*:1] Cc1ccc(cc1)[C@H]1NC(=O)N(C)C2CN(C(=O)C=21)c1cccc(c1)[*:1]
Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(C(=O)[O-])c2)C3)cc1 O=C([O-])c1cccc(c1)[*:1] Cc1ccc(cc1)[C@H]1NC(=O)N(C)C2CN(C(=O)C=21)[*:1]
CC(C)[C@H](C)NC(=O)N(C)C1CCCCC1 CC(C)[*:1] C[C@H](NC(=O)N(C)C1CCCCC1)[*:1]
CC(C)[C@H](C)NC(=O)N(C)C1CCCCC1 CC(C)[C@H](C)[*:1] CN(C(=O)N[*:1])C1CCCCC1
CCNS(=O)(=O)[C@@H]1CCN(CCOc2c(C)cccc2C)C1 CCNS(=O)(=O)[*:1] Cc1cccc(C)c1OCCN1CC[C@H](C1)[*:1]
C[C@@H](/[NH+]=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(S(C)(=O)=O)cc1 O=[N+]([O-])[*:1] C[C@@H](/[NH+]=C/c1cc(ccc1[O-])[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@@H](/[NH+]=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H](/[NH+]=C/c1cc(ccc1[O-])[N+](=O)[O-])c1ccc(cc1)[*:1]
COc1ccnc(NC(=O)[C@@H](C)Oc2ccccc2Br)c1 Brc1ccccc1[*:1] COc1ccnc(c1)NC(=O)[C@@H](C)O[*:1]
O=C(CCOC1CCOCC1)NNc1c(F)cccc1F C1CC(CCO1)[*:1] O=C(CCO[*:1])NNc1c(F)cccc1F
O=C(CCOC1CCOCC1)NNc1c(F)cccc1F C1CC(CCO1)O[*:1] O=C(CC[*:1])NNc1c(F)cccc1F
CC1=C(C(=O)N(C)C)[C@H](c2cccs2)NC(=S)N1c1cccc(C)c1 CN(C)C(=O)[*:1] CC1=C([C@@H](NC(=S)N1c1cccc(C)c1)c1cccs1)[*:1]
CC1=C(C(=O)N(C)C)[C@H](c2cccs2)NC(=S)N1c1cccc(C)c1 c1csc(c1)[*:1] CC1=C(C(=O)N(C)C)[C@H](NC(=S)N1c1cccc(C)c1)[*:1]
CC1=C(C(=O)N(C)C)[C@H](c2cccs2)NC(=S)N1c1cccc(C)c1 Cc1cccc(c1)[*:1] CC1=C(C(=O)N(C)C)[C@@H](NC(=S)N1[*:1])c1cccs1
Clc1cccc(N2CCCC2)c1CNC[C@H]1CN(C2CC2)CCO1 C1CC1[*:1] Clc1cccc(c1CNC[C@H]1CN(CCO1)[*:1])N1CCCC1
Clc1cccc(N2CCCC2)c1CNC[C@H]1CN(C2CC2)CCO1 C1CCN(C1)[*:1] Clc1cccc(c1CNC[C@H]1CN(CCO1)C1CC1)[*:1]
Cc1csc(=O)n1CCC(=O)/N=C(\N)c1ccc(F)c(Cl)c1 Cc1csc(=O)n1[*:1] N/C(=N\C(=O)CC[*:1])c1ccc(F)c(Cl)c1
C[C@@H](CO)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] C[C@@H](CO)C[NH2+][C@@H](c1cccc(c1)C(F)(F)F)[*:1]
C[C@@H](CO)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C[C@@H](CO)[*:1] FC(F)(F)c1cccc(c1)[C@H]([NH2+]C[*:1])C1CC1
C[C@@H](CO)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] C[C@@H](CO)C[NH2+][C@@H](c1cccc(c1)[*:1])C1CC1
CC(C)C[NH2+]Cc1ccc(N(C)C)nc1 CN(C)[*:1] CC(C)C[NH2+]Cc1ccc(nc1)[*:1]
CC(C)C[NH2+]Cc1ccc(N(C)C)nc1 CC(C)C[*:1] CN(C)c1ccc(cn1)C[NH2+][*:1]
CC(C)C[NH2+]Cc1ccc(N(C)C)nc1 CC(C)[*:1] CN(C)c1ccc(cn1)C[NH2+]C[*:1]
COc1ccc(Cn2ccnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)C[*:1] O=C(CSc1nccn1[*:1])Nc1ccc2OCCOc2c1
COc1ccc(Cn2ccnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nccn1C[*:1])Nc1ccc2OCCOc2c1
Cc1cc(OCC[C@H]2CCCC2=O)cc(C(C)C)c1 CC(C)[*:1] Cc1cc(cc(c1)[*:1])OCC[C@H]1CCCC1=O
Cc1cc(OCC[C@H]2CCCC2=O)cc(C(C)C)c1 O=C1CCC[C@@H]1[*:1] Cc1cc(cc(c1)C(C)C)OCC[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 CCc1nn(C)cc1[*:1] Cn1cc[nH+]c1C[C@H]1CCCN(C1)C(=O)C(=O)N[*:1]
O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1cc2ccccc2oc1=O Clc1ccc2oc(nc2c1)[*:1] O=C(Nc1ccc(c(O)c1)[*:1])c1cc2ccccc2oc1=O
O=C(c1cccn1Cc1ccncc1)N1CCC[C@H](n2cc[nH+]c2)C1 c1cc(ccn1)C[*:1] O=C(c1cccn1[*:1])N1CCC[C@@H](C1)n1cc[nH+]c1
O=C(c1cccn1Cc1ccncc1)N1CCC[C@H](n2cc[nH+]c2)C1 c1cc(ccn1)[*:1] O=C(c1cccn1C[*:1])N1CCC[C@@H](C1)n1cc[nH+]c1
Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)nc1 c1coc(c1)C[*:1] Cc1ccc(nc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(Cc2ccco2)C1
Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)nc1 c1coc(c1)[*:1] Cc1ccc(nc1)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cccc(NC(C)=O)c4)C3)nn2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cccc(NC(C)=O)c4)C3)nn2)cc1 CC(=O)N[*:1] COc1ccc(cc1)-c1ccc(nn1)N1CCC[C@H](C1)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cccc(NC(C)=O)c4)C3)nn2)cc1 CC(=O)Nc1cccc(c1)[*:1] COc1ccc(cc1)-c1ccc(nn1)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1c(C(=O)Nc2ccc3c(c2)COC3)cnn1CCO[C@@H]1CCCCO1 c1cc2COCc2cc1[*:1] Cc1c(cnn1CCO[C@@H]1CCCCO1)C(=O)N[*:1]
CCCn1cc[nH+]c1[C@H](NCC)[C@H]1CSCCS1 CCC[*:1] CCN[C@@H](c1[nH+]ccn1[*:1])[C@H]1CSCCS1
CCCn1cc[nH+]c1[C@H](NCC)[C@H]1CSCCS1 C1CS[C@H](CS1)[*:1] CCCn1cc[nH+]c1[C@H](NCC)[*:1]
CCCn1cc[nH+]c1[C@H](NCC)[C@H]1CSCCS1 CCN[*:1] CCCn1cc[nH+]c1[C@H]([C@H]1CSCCS1)[*:1]
CCNC(=O)N1CCC(NC(=O)[C@H](N)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCNC(=O)N1CCC(CC1)NC(=O)[C@H](N)[*:1]
COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(C)on2)[NH+](C)C)c1 Cc1cc(no1)[*:1] COc1cccc(c1)[C@H](CNC(=O)C(=O)N[*:1])[NH+](C)C
COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(C)on2)[NH+](C)C)c1 COc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O c1nnnn1[*:1] C[C@@]1(NC(=O)N(Cc2cc3OCOc3cc2Br)C1=O)c1cccc(c1)[*:1]
C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O Brc1cc2OCOc2cc1[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1cccc(c1)-n1cnnn1
COc1cc(NC(=O)NCC(=O)NCC(F)(F)F)c(OC)cc1Cl O=C(NCC(F)(F)F)[*:1] COc1cc(NC(=O)NC[*:1])c(cc1Cl)OC
COc1cc(NC(=O)NCC(=O)NCC(F)(F)F)c(OC)cc1Cl FC(F)(F)C[*:1] COc1cc(NC(=O)NCC(=O)N[*:1])c(cc1Cl)OC
COc1cc(NC(=O)NCC(=O)NCC(F)(F)F)c(OC)cc1Cl FC(F)(F)[*:1] COc1cc(NC(=O)NCC(=O)NC[*:1])c(cc1Cl)OC
COc1cccc2sc(N3CCN(C(=O)/C=C/c4cccs4)CC3)nc12 C(=C[*:1])c1cccs1 COc1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
COc1cccc2sc(N3CCN(C(=O)/C=C/c4cccs4)CC3)nc12 c1csc(c1)[*:1] COc1cccc2sc(nc12)N1CCN(CC1)C(=O)C=C[*:1]
COc1ccc([C@@H]2C[C@@H](C)N(Cc3noc(C4CC4)n3)C2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](C)N(Cc2noc(n2)[*:1])C1
CCc1ccc(NC(=O)[C@@H](CC)N2CCCC2=O)cc1 O=C1CCCN1[*:1] CCc1ccc(cc1)NC(=O)[C@@H](CC)[*:1]
C/[NH+]=C(/NC[C@H](C)c1ccsc1)N[C@H]1CC[C@H](SC)C1 c1cc(cs1)[*:1] C/[NH+]=C(/NC[C@H](C)[*:1])N[C@H]1CC[C@@H](C1)SC
CCNC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] CCNC(=O)c1cccc(c1)NC(=O)Cn1nnc(n1)[*:1]
CCNC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1 CCNC(=O)[*:1] O=C(Cn1nnc(n1)-c1ccccc1)Nc1cccc(c1)[*:1]
NC(=O)c1c(Cl)cccc1NC(=O)CCc1nc(C2CC2)no1 C1CC1[*:1] NC(=O)c1c(Cl)cccc1NC(=O)CCc1nc(no1)[*:1]
NC(=O)c1c(Cl)cccc1NC(=O)CCc1nc(C2CC2)no1 NC(=O)[*:1] O=C(CCc1nc(no1)C1CC1)Nc1cccc(Cl)c1[*:1]
CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CCC[C@H](CNC(C)=O)C2)c1 CC(=O)NC[*:1] CC[C@H](C)NC(=O)c1cccc(c1)CNC(=O)N1CCC[C@H](C1)[*:1]
CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CCC[C@H](CNC(C)=O)C2)c1 CC[C@H](C)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)NCc1cccc(c1)C(=O)N[*:1]
CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CCC[C@H](CNC(C)=O)C2)c1 CC(=O)N[*:1] CC[C@H](C)NC(=O)c1cccc(c1)CNC(=O)N1CCC[C@@H](C1)C[*:1]
CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CCC[C@H](CNC(C)=O)C2)c1 CC[C@H](C)NC(=O)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)NCc1cccc(c1)[*:1]
CCc1noc(C)c1C(=O)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1noc(C)c1C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](c1ccccc1)[C@@H](CC(=O)Nc1ccccc1I)C(=O)[O-] Ic1ccccc1[*:1] C[C@@H](c1ccccc1)[C@@H](CC(=O)N[*:1])C(=O)[O-]
C[C@@H](c1ccccc1)[C@@H](CC(=O)Nc1ccccc1I)C(=O)[O-] O=C([O-])[*:1] C[C@@H](c1ccccc1)[C@@H](CC(=O)Nc1ccccc1I)[*:1]
C[C@@H](c1ccccc1)[C@@H](CC(=O)Nc1ccccc1I)C(=O)[O-] c1ccc(cc1)[*:1] C[C@@H]([C@@H](CC(=O)Nc1ccccc1I)C(=O)[O-])[*:1]
CCc1c(-c2ccccc2)[n+]([O-])c(-c2ccc(OC)c(OC)c2)c(C)[n+]1[O-] c1ccc(cc1)[*:1] CCc1c([n+]([O-])c(-c2ccc(OC)c(c2)OC)c(C)[n+]1[O-])[*:1]
CC[NH2+]Cc1cc(Br)ccc1OC[C@@H](C)C(N)=O C[C@@H](C(N)=O)[*:1] CC[NH2+]Cc1cc(Br)ccc1OC[*:1]
CC[NH2+]Cc1cc(Br)ccc1OC[C@@H](C)C(N)=O NC(=O)[*:1] CC[NH2+]Cc1cc(Br)ccc1OC[C@@H](C)[*:1]
CC[NH2+]Cc1cc(Br)ccc1OC[C@@H](C)C(N)=O C[C@H](C[*:1])C(N)=O CC[NH2+]Cc1cc(Br)ccc1O[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@H](Cn2ccnn2)C1 C1CO[C@@H](C1)[*:1] O=C(c1cnc(s1)[*:1])N1CCC[C@@H](C1)Cn1ccnn1
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@H](Cn2ccnn2)C1 c1cn(C[*:1])nn1 O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC[C@H](C1)[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@H](Cn2ccnn2)C1 c1cn(nn1)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC[C@@H](C1)C[*:1]
CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2c(F)cccc2F)cc1 Fc1cccc(F)c1[*:1] CC(=O)Nc1ccc(cc1)C(=O)NCCNC(=O)[*:1]
CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2c(F)cccc2F)cc1 CC(=O)N[*:1] O=C(NCCNC(=O)c1c(F)cccc1F)c1ccc(cc1)[*:1]
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1 O=S(=O)(N1CCCC1)[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])Nc1ccccc1
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(COC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1)N[*:1]
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(OC[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
CCCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1 CCC[*:1] Cc1nn(-c2ccc(Cl)nn2)c2NC(=O)C[C@@H](c3cccc(c3)O[*:1])c12
CCCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1 CCCO[*:1] Cc1nn(-c2ccc(Cl)nn2)c2NC(=O)C[C@@H](c3cccc(c3)[*:1])c12
CCCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1 Clc1ccc(nn1)[*:1] CCCOc1cccc(c1)[C@@H]1CC(=O)Nc2c1c(C)nn2[*:1]
O=c1c2ccccc2ncn1Cc1cccc(OC(F)F)c1 FC(F)[*:1] O=c1c2ccccc2ncn1Cc1cccc(c1)O[*:1]
O=c1c2ccccc2ncn1Cc1cccc(OC(F)F)c1 FC(F)O[*:1] O=c1c2ccccc2ncn1Cc1cccc(c1)[*:1]
COc1ccc(-n2nc(C(=O)N(C)[C@H](C)Cc3ccsc3)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)N(C)[C@H](C)Cc1ccsc1
COc1ccc(-n2nc(C(=O)N(C)[C@H](C)Cc3ccsc3)cc2C)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)N(C)[C@H](C)C[*:1]
COc1ccc(-n2nc(C(=O)N(C)[C@H](C)Cc3ccsc3)cc2C)cc1 c1cc(cs1)C[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)N(C)[C@H](C)[*:1]
CCOc1ccccc1NC(=O)N1CCC(OCC(C)C)CC1 CC(C)CO[*:1] CCOc1ccccc1NC(=O)N1CCC(CC1)[*:1]
CCOc1ccccc1NC(=O)N1CCC(OCC(C)C)CC1 CCO[*:1] CC(C)COC1CCN(CC1)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)N1CCC(OCC(C)C)CC1 CC(C)[*:1] CCOc1ccccc1NC(=O)N1CCC(CC1)OC[*:1]
CCOc1ccccc1NC(=O)N1CCC(OCC(C)C)CC1 CC(C)C[*:1] CCOc1ccccc1NC(=O)N1CCC(CC1)O[*:1]
COc1ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)cc1 COc1ccc(cc1)[*:1] Nn1c(nnc(N[*:1])c1=O)SCc1ccc(Cl)cc1
COc1ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)Nc1nnc(S[*:1])n(N)c1=O
COc1ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)Nc1nnc(SC[*:1])n(N)c1=O
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1cc(Cl)ccc1/N=C1/S[C@@H](CC(=O)N[*:1])C(=O)N1C
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)cc1Cl Cc1cc(Cl)ccc1[*:1] Cc1ccc(cc1Cl)NC(=O)C[C@@H]1SC(=N[*:1])N(C)C1=O
CC(C)[C@@H](Nc1ncnc2c1CCCCC2)c1cccs1 CC(C)[*:1] c1csc(c1)[C@H](Nc1ncnc2CCCCCc21)[*:1]
CC(C)[C@@H](Nc1ncnc2c1CCCCC2)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](Nc1ncnc2CCCCCc21)[*:1]
CC(C)(C)C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(F)cc1 CC(C)(C)C[*:1] Fc1ccc(cc1)[C@H]([NH2+]Cc1cc[nH]c1)[*:1]
CC(C)(C)C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(F)cc1 c1cc(c[nH]1)[*:1] CC(C)(C)C[C@@H]([NH2+]C[*:1])c1ccc(F)cc1
CC(C)(C)C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(F)cc1 CC(C)(C)[*:1] Fc1ccc(cc1)[C@@H](C[*:1])[NH2+]Cc1cc[nH]c1
Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3cccc(C(N)=O)c3)[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C(=O)Nc2cccc(c2)C(N)=O)[C@@H]1[*:1]
Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3cccc(C(N)=O)c3)[C@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1cccc(c1)NC(=O)[C@@H]1CC(=O)N([C@@H]1c1cccs1)[*:1]
Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3cccc(C(N)=O)c3)[C@H]2c2cccs2)cc1 NC(=O)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C(=O)Nc2cccc(c2)[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3cccc(C(N)=O)c3)[C@H]2c2cccs2)cc1 NC(=O)c1cccc(c1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C(=O)N[*:1])[C@H]1c1cccs1
C=CCNC(=O)[C@@H](C)Oc1c(F)cc(CO)cc1F C=CCNC(=O)[*:1] C[C@@H](Oc1c(F)cc(cc1F)CO)[*:1]
C=CCNC(=O)[C@@H](C)Oc1c(F)cc(CO)cc1F C=CC[*:1] C[C@@H](Oc1c(F)cc(cc1F)CO)C(=O)N[*:1]
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 O=[N+]([O-])c1cccc(c1)[*:1] CCOc1cccc(c1)NC(=O)/C(C#N)=C\c1ccc(o1)[*:1]
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 CCO[*:1] N#C/C(=C/c1ccc(o1)-c1cccc(c1)[N+](=O)[O-])C(=O)Nc1cccc(c1)[*:1]
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 CCOc1cccc(c1)[*:1] N#C/C(=C/c1ccc(o1)-c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 O=[N+]([O-])[*:1] CCOc1cccc(c1)NC(=O)/C(C#N)=C\c1ccc(o1)-c1cccc(c1)[*:1]
CCc1ccc(N(C)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 O=C([O-])[*:1] CCc1ccc(cc1)N(C)C(=O)N1CC[C@@H]([C@@H]1C)[*:1]
CCOC(=O)CN1C(=O)[C@H]2CN(Cc3ccco3)CCN2C1=O c1coc(c1)C[*:1] CCOC(=O)CN1C(=O)[C@H]2CN(CCN2C1=O)[*:1]
CCOC(=O)CN1C(=O)[C@H]2CN(Cc3ccco3)CCN2C1=O c1coc(c1)[*:1] CCOC(=O)CN1C(=O)[C@H]2CN(CCN2C1=O)C[*:1]
CCOC(=O)CN1C(=O)[C@H]2CN(Cc3ccco3)CCN2C1=O CCOC(=O)C[*:1] O=C1[C@H]2CN(CCN2C(=O)N1[*:1])Cc1ccco1
CCOC(=O)CN1C(=O)[C@H]2CN(Cc3ccco3)CCN2C1=O CCOC(=O)[*:1] O=C1[C@H]2CN(CCN2C(=O)N1C[*:1])Cc1ccco1
Cc1cccc(N2CCN(C(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)CC2)c1C Cc1cccc(c1C)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)N1CCN(CC1)[*:1]
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CN1CCCOC1=O O=C1OCCCN1[*:1] C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C[*:1]
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CN1CCCOC1=O c1ccc(cc1)[*:1] C[C@@H](CC(C)(C)[*:1])NC(=O)CN1CCCOC1=O
COc1c(Cl)cccc1NC(=O)CNC(=O)c1ccoc1C Cc1occc1[*:1] COc1c(Cl)cccc1NC(=O)CNC(=O)[*:1]
Brc1ccccc1N1CC[C@H]([NH2+]Cc2cc[nH]c2)C1 c1cc(c[nH]1)[*:1] Brc1ccccc1N1CC[C@@H](C1)[NH2+]C[*:1]
C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(cc1)[*:1]
C#CCN(CC(F)(F)F)C(=O)c1ccc(-c2cscn2)cc1 C#CC[*:1] O=C(c1ccc(cc1)-c1cscn1)N(CC(F)(F)F)[*:1]
C#CCN(CC(F)(F)F)C(=O)c1ccc(-c2cscn2)cc1 FC(F)(F)C[*:1] C#CCN(C(=O)c1ccc(cc1)-c1cscn1)[*:1]
C#CCN(CC(F)(F)F)C(=O)c1ccc(-c2cscn2)cc1 FC(F)(F)[*:1] C#CCN(C[*:1])C(=O)c1ccc(cc1)-c1cscn1
C#CCN(CC(F)(F)F)C(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] C#CCN(CC(F)(F)F)C(=O)c1ccc(cc1)[*:1]
CS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CS(=O)(=O)c1cc(cc(c1)[*:1])C(=O)Nc1ccccc1C(F)(F)F
CS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 FC(F)(F)[*:1] CS(=O)(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccccc1[*:1]
CS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 CS(=O)(=O)[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CCc1ccc(CNC(=O)[C@@H]2c3ccccc3CCN2C(C)=O)cc1 CCc1ccc(cc1)[*:1] CC(=O)N1CCc2ccccc2[C@H]1C(=O)NC[*:1]
O=C(NCc1ccccc1-n1cccn1)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(NCc1ccccc1-n1cccn1)Nc1ccc(cc1)[*:1]
O=C(NCc1ccccc1-n1cccn1)Nc1ccc(N2CCCC2=O)cc1 c1cnn(c1)[*:1] O=C(NCc1ccccc1[*:1])Nc1ccc(cc1)N1CCCC1=O
Cc1cc(CNC(=O)NCCCc2c(C)noc2C)no1 Cc1cc(no1)[*:1] Cc1noc(C)c1CCCNC(=O)NC[*:1]
Cc1cc(CNC(=O)NCCCc2c(C)noc2C)no1 Cc1cc(C[*:1])no1 Cc1noc(C)c1CCCNC(=O)N[*:1]
Cc1cc(CNC(=O)NCCCc2c(C)noc2C)no1 Cc1noc(C)c1[*:1] Cc1cc(CNC(=O)NCCC[*:1])no1
CC[C@H](CO)NC(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 CC[C@H](CO)[*:1] Cc1cc(C)cc(c1)C[C@H](C)NC(=O)N[*:1]
COc1ccccc1C[C@H]1C(=O)N(c2ccccc2)c2ccccc21 COc1ccccc1[*:1] O=C1[C@H](C[*:1])c2ccccc2N1c1ccccc1
COc1ccccc1C[C@H]1C(=O)N(c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] COc1ccccc1C[C@H]1C(=O)N(c2ccccc21)[*:1]
COc1cccc([C@@H](CO)NC(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)c1 COc1cccc(c1)[*:1] O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N[C@H](CO)[*:1]
CCN(C[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1)C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] CCN(C[C@@H]1CCCN(C1)C(=O)[C@H](C)[NH3+])C(=O)O[*:1]
CCN(C[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1)C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] CCN(C[C@@H]1CCCN(C1)C(=O)[C@H](C)[NH3+])C(=O)OC[*:1]
O=C(NCc1cc(-c2ccccc2)on1)c1c(O)cccc1O c1ccc(cc1)[*:1] O=C(NCc1cc(on1)[*:1])c1c(O)cccc1O
COc1ccc(OCCN(C)C(=O)N[C@@H]2CCc3ccccc32)cc1 COc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)N[C@@H]1CCc2ccccc21
CC(C)Cc1nnc(NC(=O)N2CCC[C@H](C)[C@@H]2CO)s1 CC(C)[*:1] C[C@H]1CCCN(C(=O)Nc2nnc(C[*:1])s2)[C@H]1CO
CC(C)Cc1nnc(NC(=O)N2CCC[C@H](C)[C@@H]2CO)s1 CC(C)C[*:1] C[C@H]1CCCN(C(=O)Nc2nnc(s2)[*:1])[C@H]1CO
Cc1ccc(C(=O)Oc2ccc(N3CCOC3=O)cc2)c(C)c1 O=C1OCCN1[*:1] Cc1ccc(C(=O)Oc2ccc(cc2)[*:1])c(C)c1
O=C(c1ccncc1)N1CCC[NH+](CCSc2ccccc2)CC1 c1cc(ccn1)[*:1] O=C(N1CCC[NH+](CCSc2ccccc2)CC1)[*:1]
O=C(c1ccncc1)N1CCC[NH+](CCSc2ccccc2)CC1 c1ccc(cc1)S[*:1] O=C(c1ccncc1)N1CCC[NH+](CC1)CC[*:1]
O=C(c1ccncc1)N1CCC[NH+](CCSc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccncc1)N1CCC[NH+](CCS[*:1])CC1
O=C(c1ccncc1)N1CCC[NH+](CCSc2ccccc2)CC1 c1ccc(cc1)SC[*:1] O=C(c1ccncc1)N1CCC[NH+](CC1)C[*:1]
CC(=O)N[C@@H](C(=O)N[C@H]1CCCOc2c1ccc1ccccc21)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)N[C@H]1CCCOc2c1ccc1ccccc21)[*:1]
CC(=O)N[C@@H](C(=O)N[C@H]1CCCOc2c1ccc1ccccc21)C(C)C CC(=O)N[C@@H](C(C)C)[*:1] O=C(N[C@H]1CCCOc2c1ccc1ccccc21)[*:1]
CC(=O)N[C@@H](C(=O)N[C@H]1CCCOc2c1ccc1ccccc21)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)N[C@H]1CCCOc2c1ccc1ccccc21)[*:1]
O=C(NOCc1ccccc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 c1ccc(cc1)[*:1] O=C(NOC[*:1])[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
O=C(NOCc1ccccc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 c1ccc(cc1)C[*:1] O=C(NO[*:1])[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
O=C([C@@H]1CCCO1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)Cc1ncc(o1)[*:1]
CC[NH2+]Cc1cc(F)c(OCCc2cccs2)c(F)c1 c1csc(c1)[*:1] CC[NH2+]Cc1cc(F)c(OCC[*:1])c(F)c1
CC[NH2+]Cc1cc(F)c(OCCc2cccs2)c(F)c1 c1csc(c1)C[*:1] CC[NH2+]Cc1cc(F)c(OC[*:1])c(F)c1
NC(=O)c1nc(-c2ccccc2F)nc2c1[nH]c(=O)n2Cc1ccccc1 Fc1ccccc1[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2Cc1ccccc1)[*:1]
NC(=O)c1nc(-c2ccccc2F)nc2c1[nH]c(=O)n2Cc1ccccc1 NC(=O)[*:1] O=c1[nH]c2c(nc(nc2n1Cc1ccccc1)-c1ccccc1F)[*:1]
NC(=O)c1nc(-c2ccccc2F)nc2c1[nH]c(=O)n2Cc1ccccc1 c1ccc(cc1)[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2C[*:1])-c1ccccc1F
NC(=O)c1nc(-c2ccccc2F)nc2c1[nH]c(=O)n2Cc1ccccc1 c1ccc(cc1)C[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2[*:1])-c1ccccc1F
Cn1c(=O)cc(SCC(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)c2cc(Cl)ccc21 Fc1ccccc1[*:1] Cn1c(=O)cc(SCC(=O)NCC[NH+]2CCN(CC2)[*:1])c2cc(Cl)ccc21
C[C@@H]1C[C@@H]1C(=O)NNc1ccc(F)cc1F C[C@@H]1C[C@H]1[*:1] O=C(NNc1ccc(F)cc1F)[*:1]
Cc1ccc(C)c2c1s/c(=N\C(=O)c1cccc(N3C(=O)CCC3=O)c1)n2C O=C1CCC(=O)N1[*:1] Cc1ccc(C)c2c1s/c(=N\C(=O)c1cccc(c1)[*:1])n2C
Cn1nccc1/C=C(\C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 Cn1nccc1[*:1] N#CC(=C[*:1])c1nc(cs1)C12CC3CC(CC(C3)C1)C2
CC(C)CN(C(=O)CN1C(=O)N[C@@](C)(CC(C)C)C1=O)C1CC1 CC(C)[*:1] CC(C)C[C@]1(C)NC(=O)N(CC(=O)N(C[*:1])C2CC2)C1=O
CC(C)CN(C(=O)CN1C(=O)N[C@@](C)(CC(C)C)C1=O)C1CC1 CC(C)C[*:1] CC(C)C[C@]1(C)NC(=O)N(CC(=O)N(C2CC2)[*:1])C1=O
CC(C)CN(C(=O)CN1C(=O)N[C@@](C)(CC(C)C)C1=O)C1CC1 CC(C)[*:1] CC(C)CN(C(=O)CN1C(=O)N[C@@](C)(C[*:1])C1=O)C1CC1
CC(C)CN(C(=O)CN1C(=O)N[C@@](C)(CC(C)C)C1=O)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)CN1C(=O)N[C@@](C)(CC(C)C)C1=O)[*:1]
CC(C)CN(C(=O)CN1C(=O)N[C@@](C)(CC(C)C)C1=O)C1CC1 CC(C)C[*:1] CC(C)CN(C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1])C1CC1
C[C@H](N[C@@H](c1cccc(Cl)c1)C1CCCC1)c1nccs1 C1CCC(C1)[*:1] C[C@H](N[C@@H](c1cccc(Cl)c1)[*:1])c1nccs1
C[C@H](N[C@@H](c1cccc(Cl)c1)C1CCCC1)c1nccs1 c1csc(n1)[*:1] C[C@H](N[C@@H](c1cccc(Cl)c1)C1CCCC1)[*:1]
C[C@H](N[C@@H](c1cccc(Cl)c1)C1CCCC1)c1nccs1 C[C@H](c1nccs1)[*:1] Clc1cccc(c1)[C@H](N[*:1])C1CCCC1
C[C@H](N[C@@H](c1cccc(Cl)c1)C1CCCC1)c1nccs1 Clc1cccc(c1)[*:1] C[C@H](N[C@@H](C1CCCC1)[*:1])c1nccs1
C[C@H](c1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](c1nc(no1)[*:1])S(=O)(=O)c1ccccc1
C[C@H](c1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](c1nc(no1)-c1ccccc1)S(=O)(=O)[*:1]
Cc1noc(C)c1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 c1cnnc(c1)[*:1] Cc1noc(C)c1C[NH2+][C@@H]1CCCN(C1)[*:1]
Cc1noc(C)c1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 Cc1noc(C)c1[*:1] c1cnnc(c1)N1CCC[C@H](C1)[NH2+]C[*:1]
Cc1cc2c(N3CCC[C@@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)[nH+]ccc2s1 Clc1ccc(cc1)[*:1] Cc1cc2c([nH+]ccc2s1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc([N+]2=CCCC2)cc1 N#Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)NCc1ccc(cc1)[N+]1=CCCC1
CCOc1ccc(-c2nc(CSc3nc([O-])cc(-c4ccncc4)n3)c(C)o2)cc1 CCOc1ccc(cc1)[*:1] Cc1oc(nc1CSc1nc([O-])cc(n1)-c1ccncc1)[*:1]
CCOc1ccc(-c2nc(CSc3nc([O-])cc(-c4ccncc4)n3)c(C)o2)cc1 c1cc(ccn1)[*:1] CCOc1ccc(cc1)-c1nc(CSc2nc([O-])cc(n2)[*:1])c(C)o1
CCOc1ccc(-c2nc(CSc3nc([O-])cc(-c4ccncc4)n3)c(C)o2)cc1 CCO[*:1] Cc1oc(nc1CSc1nc([O-])cc(n1)-c1ccncc1)-c1ccc(cc1)[*:1]
COc1ccc(-c2nnc(SCC(=O)Oc3ccc(C)cc3)o2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nnc(o1)SCC(=O)O[*:1]
COc1ccc(-c2nnc(SCC(=O)Oc3ccc(C)cc3)o2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)OC(=O)CSc1nnc(o1)[*:1]
COC(=O)c1c(NC(=O)c2cc(C)n(C)n2)sc2c1CC(C)(C)[NH2+]C2(C)C Cc1cc(nn1C)[*:1] COC(=O)c1c(NC(=O)[*:1])sc2c1CC(C)(C)[NH2+]C2(C)C
COC(=O)c1c(NC(=O)c2cc(C)n(C)n2)sc2c1CC(C)(C)[NH2+]C2(C)C COC(=O)[*:1] Cc1cc(nn1C)C(=O)Nc1sc2c(CC(C)(C)[NH2+]C2(C)C)c1[*:1]
CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(F)c(Cl)c1 Clc1cccc(c1Cl)[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccc(F)c(Cl)c1
CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)[*:1]
CC(=O)c1c(F)cccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 CC(=O)[*:1] Fc1cccc(c1[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
CC(=O)c1c(F)cccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC(=O)c1c(F)cccc1N1CCN(CC1)c1cccc(c1)[*:1]
CC(=O)C[C@H]1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 CC(=O)C[*:1] O=S1(=O)CCC(CC1)S(=O)(=O)N1CCCC[C@@H]1[*:1]
CC(=O)C[C@H]1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 CC(=O)[*:1] O=S1(=O)CCC(CC1)S(=O)(=O)N1CCCC[C@@H]1C[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cnc3sc(C)cn3c2=O)c1 COC(=O)[*:1] COC(=O)c1ccc(c(c1)NC(=O)c1cnc2sc(C)cn2c1=O)[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cnc3sc(C)cn3c2=O)c1 COC(=O)[*:1] COC(=O)c1ccc(cc1NC(=O)c1cnc2sc(C)cn2c1=O)[*:1]
O=c1oc2c(O)cccc2cc1-c1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] O=c1oc2c(O)cccc2cc1-c1nc(no1)[*:1]
CCCNC(=O)NCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CCCNC(=O)NCc1ccc(cc1)[*:1]
CCCNC(=O)NCc1ccc(S(N)(=O)=O)cc1 CCC[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)N[*:1]
CC(C)(C)NC(=O)N1CCC(CNC(=O)c2cccc(Br)c2)CC1 CC(C)(C)[*:1] O=C(NCC1CCN(CC1)C(=O)N[*:1])c1cccc(Br)c1
CC(C)(C)NC(=O)N1CCC(CNC(=O)c2cccc(Br)c2)CC1 Brc1cccc(c1)[*:1] CC(C)(C)NC(=O)N1CCC(CC1)CNC(=O)[*:1]
CN1C(=O)CC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C[NH+](C)C)[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CN1C(=O)CC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C[NH+](C)C)[C@H]1[*:1]
C[C@@H]1SCCC[C@H]1Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] C[C@@H]1SCCC[C@H]1Nc1cccc(c1)[*:1]
Cn1ccnc1SCC(=O)NCc1coc(-c2ccccc2)n1 Cn1ccnc1S[*:1] O=C(C[*:1])NCc1coc(n1)-c1ccccc1
Cn1ccnc1SCC(=O)NCc1coc(-c2ccccc2)n1 Cn1ccnc1[*:1] O=C(CS[*:1])NCc1coc(n1)-c1ccccc1
Cn1ccnc1SCC(=O)NCc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1ccnc1SCC(=O)NCc1coc(n1)[*:1]
C[C@H](S[C@@H]1N=Nc2nc3ccccc3n21)C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](S[C@@H]1N=Nc2nc3ccccc3n21)C(=O)NC[*:1]
CCCNC(=O)c1ccc(N[C@H]2CC[C@H](SC)C2)nc1 CCCNC(=O)[*:1] CS[C@H]1CC[C@@H](C1)Nc1ccc(cn1)[*:1]
CCCNC(=O)c1ccc(N[C@H]2CC[C@H](SC)C2)nc1 CCC[*:1] CS[C@H]1CC[C@@H](C1)Nc1ccc(cn1)C(=O)N[*:1]
Clc1ccc2[nH]c(C(Cl)(Cl)Cl)nc2c1 ClC(Cl)(Cl)[*:1] Clc1ccc2[nH]c(nc2c1)[*:1]
Cc1ccc(C(=O)Nc2cccc(CNCc3sc(C)nc3C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(C)c(CNCc2cccc(c2)NC(=O)[*:1])s1
Cc1ccc(C(=O)Nc2cccc(CNCc3sc(C)nc3C)c2)cc1 Cc1nc(C)c(s1)[*:1] Cc1ccc(cc1)C(=O)Nc1cccc(c1)CNC[*:1]
Cc1ccc(C(=O)Nc2cccc(CNCc3sc(C)nc3C)c2)cc1 Cc1nc(C)c(C[*:1])s1 Cc1ccc(cc1)C(=O)Nc1cccc(c1)CN[*:1]
C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccco1 O=C(N1CCCCC1)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1cccc(c1)[*:1])c1ccco1
C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1cccc(c1)C(=O)N1CCCCC1)[*:1]
COc1ccc(S(=O)(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N1Cc2ccccc2OC2(CCOCC2)C1)[*:1]
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](n2cccn2)C1 c1cnn(c1)[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccccc2Cl)CC1 O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](C)c1ccccc1Cl)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccccc2Cl)CC1 Cc1ccc(cc1[*:1])[N+](=O)[O-] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1Cl
CC(C)Sc1ccccc1C(=O)Nc1cccc(Oc2ccncc2)c1 CC(C)S[*:1] O=C(Nc1cccc(c1)Oc1ccncc1)c1ccccc1[*:1]
CC(C)Sc1ccccc1C(=O)Nc1cccc(Oc2ccncc2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)Oc1ccncc1)c1ccccc1S[*:1]
CC(C)Sc1ccccc1C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)[*:1] CC(C)Sc1ccccc1C(=O)Nc1cccc(c1)O[*:1]
CC(C)Sc1ccccc1C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)O[*:1] CC(C)Sc1ccccc1C(=O)Nc1cccc(c1)[*:1]
C=CCCCN(C)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 C=CCC[*:1] CN(C[*:1])C(=O)c1ccccc1-c1nc(no1)C(C)(C)C
C=CCCCN(C)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 C=CCCC[*:1] CN(C(=O)c1ccccc1-c1nc(no1)C(C)(C)C)[*:1]
C=CCCCN(C)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 C=CC[*:1] CN(CC[*:1])C(=O)c1ccccc1-c1nc(no1)C(C)(C)C
C=CCCCN(C)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C=CCCCN(C)C(=O)c1ccccc1-c1nc(no1)[*:1]
CC(C)(C)N(C(=O)c1ccccc1[N+](=O)[O-])C(=O)N1CCCCC1 O=[N+]([O-])[*:1] CC(C)(C)N(C(=O)c1ccccc1[*:1])C(=O)N1CCCCC1
CC(C)(C)N(C(=O)c1ccccc1[N+](=O)[O-])C(=O)N1CCCCC1 CC(C)(C)[*:1] O=C(c1ccccc1[N+](=O)[O-])N(C(=O)N1CCCCC1)[*:1]
O=C(Cc1cccc(O)c1)NCc1cccnc1Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] O=C(Cc1cccc(O)c1)NCc1cccnc1[*:1]
O=C(Cc1cccc(O)c1)NCc1cccnc1Oc1cccc(F)c1 Oc1cccc(c1)C[*:1] O=C(NCc1cccnc1Oc1cccc(F)c1)[*:1]
O=C(Cc1cccc(O)c1)NCc1cccnc1Oc1cccc(F)c1 Oc1cccc(c1)[*:1] O=C(C[*:1])NCc1cccnc1Oc1cccc(F)c1
O=C(Cc1cccc(O)c1)NCc1cccnc1Oc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cc1cccc(O)c1)NCc1cccnc1O[*:1]
CC(C)Oc1cccnc1C(=O)Nc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(C)Oc1cccnc1C(=O)Nc1ccc(cc1)C[*:1]
CC(C)Oc1cccnc1C(=O)Nc1ccc(CN2CCOCC2)cc1 CC(C)O[*:1] O=C(Nc1ccc(cc1)CN1CCOCC1)c1ncccc1[*:1]
CC(C)Oc1cccnc1C(=O)Nc1ccc(CN2CCOCC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)CN1CCOCC1)c1ncccc1O[*:1]
CC(C)Oc1cccnc1C(=O)Nc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CC(C)Oc1cccnc1C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N(Cc1ccccc1)S(=O)(=O)[*:1]
Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccs2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)N(S(=O)(=O)c1cccs1)[*:1]
Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(c1cccs1)N(Cc1ccccc1)[*:1]
Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccs2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N(C[*:1])S(=O)(=O)c1cccs1
COC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C)n1 Cc1cccc(n1)[*:1] COC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
COC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C)n1 COC[*:1] Cc1cccc(n1)-n1c(nc2ccccc2c1=O)SCC(=O)N[C@H](C)[*:1]
C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 c1csc(c1)[*:1] C[C@@H]1CN(Cc2ccccc2CNC(=O)[*:1])C[C@@H](C)O1
C[C@@H]1CN(Cc2ccccc2CNC(=O)c2cccs2)C[C@@H](C)O1 O=C(N[*:1])c1cccs1 C[C@@H]1CN(Cc2ccccc2C[*:1])C[C@@H](C)O1
C[C@H]1CN(CC(=O)NC2CCCC2)CC[C@@H]1[NH3+] C1CCC(C1)[*:1] C[C@H]1CN(CC[C@@H]1[NH3+])CC(=O)N[*:1]
CC(C)(CO)[C@H](CN[C@@H]1CSCc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CO)[C@H](CN[C@@H]1CSCc2ccccc21)[*:1]
CC(C)(CO)[C@H](CN[C@@H]1CSCc2ccccc21)c1ccccc1 CC(C)(CO)[*:1] c1ccc(cc1)[C@@H](CN[C@@H]1CSCc2ccccc21)[*:1]
O=C(Nc1cccnc1N1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccnc1N1CCCC1)[*:1]
O=C(Nc1cccnc1N1CCCC1)c1ccccc1 C1CCN(C1)[*:1] O=C(Nc1cccnc1[*:1])c1ccccc1
CCOc1cccc(O[C@H]2CCCC(=O)C2)c1 CCO[*:1] O=C1CCC[C@@H](C1)Oc1cccc(c1)[*:1]
CN(CCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 CN(c1ccccc1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)NC(=O)CC[*:1]
CN(CCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 c1ccc(cc1)[*:1] CN(CCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)[*:1]
CC(C)[C@](C)(C#N)NC(=O)CSc1nc2ccccc2o1 CC(C)[*:1] C[C@](C#N)(NC(=O)CSc1nc2ccccc2o1)[*:1]
COc1ccc(OC)c(NC(=O)N2CCC(C[NH+]3CCc4ccccc4C3)CC2)c1 COc1ccc(OC)c(c1)[*:1] O=C(N[*:1])N1CCC(CC1)C[NH+]1CCc2ccccc2C1
O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1 Fc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1ccc(Br)cc1
O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)c1ccc(F)cc1)N[*:1]
CCc1nccc(CN2CCCn3nc(C(=O)OC)cc3C2)n1 COC(=O)[*:1] CCc1nccc(CN2CCCn3nc(cc3C2)[*:1])n1
O=C(c1cccs1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 c1csc(c1)[*:1] O=C(N1CCN(CC1)Cc1nnnn1-c1ccc(F)c(F)c1)[*:1]
O=C(c1cccs1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] O=C(c1cccs1)N1CCN(CC1)Cc1nnnn1[*:1]
CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2C(C)C)cn1 CC(C)n1cc(cn1)[*:1] CC(C)n1c(nc2ccccc21)[C@H](C)[NH2+][C@H](C)[*:1]
CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2C(C)C)cn1 CC(C)[*:1] CC(C)n1cc(cn1)[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1[*:1]
CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2C(C)C)cn1 CC(C)[*:1] CC(C)n1c(nc2ccccc21)[C@H](C)[NH2+][C@H](C)c1cnn(c1)[*:1]
C/C(=C/C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)NCC1(CCOCC1)c1ccc2OCOc2c1)[*:1]
C/C(=C/C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)C(C)(C)C CC(=C[*:1])C(C)(C)C O=C(NCC1(CCOCC1)c1ccc2OCOc2c1)[*:1]
C=CCc1ccccc1OC(=O)c1cccc(OC)n1 C=CC[*:1] COc1cccc(n1)C(=O)Oc1ccccc1[*:1]
CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c([N+](=O)[O-])nn(C)c(=O)c21 O=[N+]([O-])[*:1] CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(C)c(=O)c21)[*:1]
CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c([N+](=O)[O-])nn(C)c(=O)c21 CCCCC[*:1] Cn1nc(c2c(-c3nc4ccccc4o3)c(N)n(c2c1=O)[*:1])[N+](=O)[O-]
CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c([N+](=O)[O-])nn(C)c(=O)c21 CCC[*:1] Cn1nc(c2c(-c3nc4ccccc4o3)c(N)n(CC[*:1])c2c1=O)[N+](=O)[O-]
CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c([N+](=O)[O-])nn(C)c(=O)c21 c1ccc2oc(nc2c1)[*:1] CCCCCn1c(N)c(c2c(nn(C)c(=O)c21)[N+](=O)[O-])[*:1]
CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c([N+](=O)[O-])nn(C)c(=O)c21 CCCC[*:1] Cn1nc(c2c(-c3nc4ccccc4o3)c(N)n(C[*:1])c2c1=O)[N+](=O)[O-]
c1ccc(N[C@@H]2CCN(Cc3cnn(-c4ccccc4)n3)C2)cc1 c1ccc(cc1)N[*:1] c1ccc(cc1)-n1ncc(CN2CC[C@H](C2)[*:1])n1
c1ccc(N[C@@H]2CCN(Cc3cnn(-c4ccccc4)n3)C2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)N[C@@H]1CCN(Cc2cnn(n2)[*:1])C1
c1ccc(N[C@@H]2CCN(Cc3cnn(-c4ccccc4)n3)C2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-n1ncc(CN2CC[C@H](C2)N[*:1])n1
O=C1NC2(CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)Nc2ccc(Br)cc21 FC(F)(F)[*:1] O=C1NC2(CCN(CC2)C(=O)Nc2cccc(c2)[*:1])Nc2ccc(Br)cc21
O=C1NC2(CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)Nc2ccc(Br)cc21 FC(F)(F)c1cccc(c1)[*:1] O=C1NC2(CCN(CC2)C(=O)N[*:1])Nc2ccc(Br)cc21
O=C([O-])COc1ccc(Br)cc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)C[*:1] O=C([O-])COc1ccc(Br)cc1/C=C1\NC(=O)N(C1=O)[*:1]
O=C([O-])COc1ccc(Br)cc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O O=C([O-])C[*:1] O=C1N/C(=C\c2cc(Br)ccc2O[*:1])C(=O)N1Cc1ccc(F)cc1
O=C([O-])COc1ccc(Br)cc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] O=C([O-])COc1ccc(Br)cc1/C=C1\NC(=O)N(C[*:1])C1=O
O=C([O-])COc1ccc(Br)cc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O O=C([O-])CO[*:1] O=C1N/C(=C\c2cc(Br)ccc2[*:1])C(=O)N1Cc1ccc(F)cc1
O=C([O-])COc1ccc(Br)cc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O O=C([O-])[*:1] O=C1N/C(=C\c2cc(Br)ccc2OC[*:1])C(=O)N1Cc1ccc(F)cc1
C[C@H]([NH2+]Cc1cn(C)nc1C(C)(C)C)[C@@H]1CN(C)CCO1 CC(C)(C)[*:1] C[C@H]([NH2+]Cc1cn(C)nc1[*:1])[C@@H]1CN(C)CCO1
C[C@H]([NH2+]Cc1cn(C)nc1C(C)(C)C)[C@@H]1CN(C)CCO1 CN1CCO[C@@H](C1)[*:1] C[C@H]([NH2+]Cc1cn(C)nc1C(C)(C)C)[*:1]
COc1ccc2c(c1)CCCN2C(=O)COC(=O)/C=C/c1ccc(C)o1 Cc1ccc(C=C[*:1])o1 COc1ccc2c(c1)CCCN2C(=O)COC(=O)[*:1]
COc1ccc2c(c1)CCCN2C(=O)COC(=O)/C=C/c1ccc(C)o1 Cc1ccc(o1)[*:1] COc1ccc2c(c1)CCCN2C(=O)COC(=O)C=C[*:1]
c1ccc(-c2ccc(CN3CC(c4nc(-c5ncccn5)no4)C3)cc2)cc1 c1cnc(nc1)[*:1] c1ccc(cc1)-c1ccc(cc1)CN1CC(C1)c1nc(no1)[*:1]
c1ccc(-c2ccc(CN3CC(c4nc(-c5ncccn5)no4)C3)cc2)cc1 c1ccc(cc1)[*:1] c1cnc(nc1)-c1noc(n1)C1CN(Cc2ccc(cc2)[*:1])C1
CN(C(=O)c1noc2c1COc1ccccc1-2)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1noc2-c3ccccc3OCc12)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)[C@@H](C)Cl)C3)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](Cl)C(=O)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)[C@@H](C)Cl)C3)c(C)c1 c1ccn(c1)[*:1] Cc1ccc(c(C)c1)-n1nc2CN(Cc2c1[*:1])C(=O)[C@@H](C)Cl
Cc1cc(-c2cnn(CCNC(=O)Cn3nc(C)cc3C)c2C2CC2)on1 C1CC1[*:1] Cc1cc(on1)-c1cnn(CCNC(=O)Cn2nc(C)cc2C)c1[*:1]
Cc1cc(-c2cnn(CCNC(=O)Cn3nc(C)cc3C)c2C2CC2)on1 Cc1cc(on1)[*:1] Cc1cc(C)n(CC(=O)NCCn2ncc(c2C2CC2)[*:1])n1
Cc1cc(-c2cnn(CCNC(=O)Cn3nc(C)cc3C)c2C2CC2)on1 Cc1cc(C)n(n1)[*:1] Cc1cc(on1)-c1cnn(CCNC(=O)C[*:1])c1C1CC1
Cc1cc(-c2cnn(CCNC(=O)Cn3nc(C)cc3C)c2C2CC2)on1 Cc1cc(C)n(C[*:1])n1 Cc1cc(on1)-c1cnn(CCNC(=O)[*:1])c1C1CC1
COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] COC[C@@H](C)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 COC[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1F)[*:1]
CC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc(F)cc1
CC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 Fc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
CC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 CC(=O)c1cccc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc(F)cc1
C[C@@H]1CC(=O)N(c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)C1=O c1cncc(c1)[*:1] C[C@@H]1CC(=O)N(C1=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
C[C@@H]1CC(=O)N(c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)C1=O c1cncc(c1)CN[*:1] C[C@@H]1CC(=O)N(C1=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[C@@H]1CC(=O)N(c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)C1=O C[C@@H]1CC(=O)N(C1=O)[*:1] O=[N+]([O-])c1cc(ccc1NCc1cccnc1)[*:1]
C[C@@H]1CC(=O)N(c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] C[C@@H]1CC(=O)N(C1=O)c1ccc(NCc2cccnc2)c(c1)[*:1]
C[C@@H]1CC(=O)N(c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)C1=O c1cncc(c1)C[*:1] C[C@@H]1CC(=O)N(C1=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
Cc1nc([C@H]2CCCN(C(=O)c3cc4cc(F)ccc4n3C)C2)ncc1C(=O)N1CCCC1 Cn1c(cc2cc(F)ccc21)[*:1] Cc1nc(ncc1C(=O)N1CCCC1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1nc([C@H]2CCCN(C(=O)c3cc4cc(F)ccc4n3C)C2)ncc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1nc(ncc1[*:1])[C@H]1CCCN(C1)C(=O)c1cc2cc(F)ccc2n1C
O=C(Nc1ccc(Br)cn1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 FC(F)(F)[*:1] O=C(Nc1ccc(Br)cn1)c1cc2N[C@H](C[C@H](n2n1)[*:1])c1ccccc1
O=C(Nc1ccc(Br)cn1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 Brc1ccc(nc1)[*:1] O=C(N[*:1])c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)c1ccccc1
O=C(Nc1ccc(Br)cn1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 c1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cn1)c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
CC(C)C[C@H]1COCCN1Cc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CC(C)C[C@H]1COCCN1Cc1ccc(cc1)[*:1]
CC(C)C[C@H]1COCCN1Cc1ccc(-n2cccn2)cc1 CC(C)C[*:1] c1cnn(c1)-c1ccc(cc1)CN1CCOC[C@@H]1[*:1]
CC(C)C[C@H]1COCCN1Cc1ccc(-n2cccn2)cc1 CC(C)[*:1] c1cnn(c1)-c1ccc(cc1)CN1CCOC[C@@H]1C[*:1]
O=C(Nc1nc(-c2cccc(F)c2)cs1)[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(Nc1nc(cs1)-c1cccc(F)c1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1nc(-c2cccc(F)c2)cs1)[C@@H]1CC(=O)N(C2CC2)C1 Fc1cccc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CC(=O)N(C1)C1CC1
Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)c1ccc(cc1)CN1CCc2c(C1)c(nn2C)[*:1]
Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1 Cc1ccc(cc1)[C@@H](C)NC(=O)[*:1] Cn1nc(C(=O)N2CCCC2)c2CN(CCc21)Cc1ccc(cc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4c(c(C(=O)N5CCCC5)nn4C)C3)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)CN1CCc2c(C1)c(nn2C)C(=O)N1CCCC1)[*:1]
O=C(N/N=C/c1ccccc1Cl)c1cc(C2CC2)nc2ccccc12 Clc1ccccc1[*:1] O=C(NN=C[*:1])c1cc(nc2ccccc12)C1CC1
O=C(N/N=C/c1ccccc1Cl)c1cc(C2CC2)nc2ccccc12 C1CC1[*:1] O=C(N/N=C/c1ccccc1Cl)c1cc(nc2ccccc12)[*:1]
Cc1c([C@H](C[NH3+])N(C)CC2CC2)cnn1C C1CC1C[*:1] Cc1c(cnn1C)[C@H](C[NH3+])N(C)[*:1]
Cc1c([C@H](C[NH3+])N(C)CC2CC2)cnn1C C1CC1[*:1] Cc1c(cnn1C)[C@H](C[NH3+])N(C)C[*:1]
COc1ccc([C@H](c2nnnn2C(C)(C)C)[NH+](C)C)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)[C@H](c1nnnn1[*:1])[NH+](C)C
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)[C@@H]2[*:1]
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2c1c(=O)[nH]c(=O)n2C[*:1]
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2c1c(=O)[nH]c(=O)n2[*:1]
CC(C)c1nnc(SCC(=O)NCCc2cccc(Cl)c2)o1 CC(C)[*:1] O=C(CSc1nnc(o1)[*:1])NCCc1cccc(Cl)c1
CC(C)c1nnc(SCC(=O)NCCc2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] CC(C)c1nnc(o1)SCC(=O)NCC[*:1]
CN1CC[C@H](NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)C1=O C1CC1[*:1] CN1CC[C@H](NC(=O)Cc2ccc(cc2)NC(=O)[*:1])C1=O
CN1CC[C@H](NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)C1=O O=C(N[*:1])C1CC1 CN1CC[C@H](NC(=O)Cc2ccc(cc2)[*:1])C1=O
CCOc1ccc(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 CCO[*:1] CC1CCC2(CC1)NC(=O)N(NC(=O)Cc1ccc(cc1)[*:1])C2=O
CC[C@H]1CCCC[C@H]1NC(=O)NC[C@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@H]1CCCC[C@H]1NC(=O)NC[C@H](O)[*:1]
CCc1sc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1C Clc1ccc(cc1)[*:1] CCc1sc(cc1C)C(=O)NNC(=O)[*:1]
CCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cn2)C1 FC(F)[*:1] CCC(=O)N[C@H]1CCCN(C1)c1ccc(cn1)O[*:1]
CCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cn2)C1 FC(F)O[*:1] CCC(=O)N[C@H]1CCCN(C1)c1ccc(cn1)[*:1]
CCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cn2)C1 CCC(=O)N[*:1] FC(F)Oc1ccc(nc1)N1CCC[C@@H](C1)[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](C(N)=S)C2)c(F)c1 NC(=S)[*:1] Cc1ccc(C(=O)N2CCC[C@@H](C2)[*:1])c(F)c1
CCCOc1cccc(NC(=O)c2ccc(Cl)nc2Cl)c1 CCC[*:1] O=C(Nc1cccc(c1)O[*:1])c1ccc(Cl)nc1Cl
CCCOc1cccc(NC(=O)c2ccc(Cl)nc2Cl)c1 CCCO[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(Cl)nc1Cl
O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cn1nc(cc1C1CC1)C(F)(F)F)N[*:1]
O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cccc(Cl)c1 FC(F)(F)[*:1] O=C(Cn1nc(cc1C1CC1)[*:1])Nc1cccc(Cl)c1
O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cccc(Cl)c1 C1CC1[*:1] O=C(Cn1nc(cc1[*:1])C(F)(F)F)Nc1cccc(Cl)c1
CCc1nc(NC(=O)c2cc(C(N)=O)cn2C)sc1C NC(=O)[*:1] CCc1nc(NC(=O)c2cc(cn2C)[*:1])sc1C
CC(=O)c1ccnc(OCC[NH+]2CCCC2)c1 CC(=O)[*:1] c1cc(cc(n1)OCC[NH+]1CCCC1)[*:1]
O=C1COc2cc(C(=O)OCc3nccs3)ccc2N1 c1csc(n1)[*:1] O=C1COc2cc(ccc2N1)C(=O)OC[*:1]
O=C1COc2cc(C(=O)OCc3nccs3)ccc2N1 c1csc(C[*:1])n1 O=C1COc2cc(ccc2N1)C(=O)O[*:1]
COc1ccc(O[C@@H](C)C(=O)Oc2ccccc2C)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)O[*:1]
Cc1ccc(C)c2sc(N(Cc3ccncc3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12 CS(=O)(=O)c1ccc(cc1)[*:1] Cc1ccc(C)c2sc(nc12)N(Cc1ccncc1)C(=O)C[*:1]
Cc1ccc(C)c2sc(N(Cc3ccncc3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12 CS(=O)(=O)[*:1] Cc1ccc(C)c2sc(nc12)N(Cc1ccncc1)C(=O)Cc1ccc(cc1)[*:1]
Cc1ccc(C)c2sc(N(Cc3ccncc3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12 c1cc(ccn1)[*:1] Cc1ccc(C)c2sc(nc12)N(C[*:1])C(=O)Cc1ccc(cc1)S(C)(=O)=O
Cc1ccc(C)c2sc(N(Cc3ccncc3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12 c1cc(ccn1)C[*:1] Cc1ccc(C)c2sc(nc12)N(C(=O)Cc1ccc(cc1)S(C)(=O)=O)[*:1]
Cn1c(=O)c2c(ncn2Cc2coc(-c3ccccc3)n2)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(ncn2Cc2coc(n2)[*:1])n(C)c1=O
CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 c1cnn(c1)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 CS(=O)(=O)[*:1] c1cnn(c1)-c1ccc(cc1)C[NH2+][C@@H]1CCC[C@@H](C1)[*:1]
Cc1cccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] Cc1cccc(c1)/[NH+]=c1\oc2cc(O)ccc2cc1C(=O)NC[*:1]
Cc1cccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] Cc1cccc(c1)/[NH+]=c1\oc2cc(O)ccc2cc1C(=O)N[*:1]
Cc1cccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 Cc1cccc(c1)[*:1] O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=[NH+][*:1]
Cc1cccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 O=C(NCc1ccco1)[*:1] Cc1cccc(c1)/[NH+]=c1\oc2cc(O)ccc2cc1[*:1]
COc1cc(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc(OC)c1Br Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1Br)C(=O)NCc1cccc(c1)NC(=O)[*:1]
COc1cc(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc(OC)c1Br Cc1ccc(cc1)C(=O)N[*:1] COc1cc(cc(OC)c1Br)C(=O)NCc1cccc(c1)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCC1 O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)NCCC[NH+]1CCCC1)[*:1]
COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[*:1]
O=C(Nc1cccc(F)c1F)C(=O)N1CCc2cc(F)ccc2C1 Fc1cccc(c1F)[*:1] O=C(N[*:1])C(=O)N1CCc2cc(F)ccc2C1
C[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)c1ncccn1)C(=O)N[*:1]
C[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)C(=O)NCc1ccccc1 c1cnc(nc1)[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)[*:1])C(=O)NCc1ccccc1
C[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)c1ncccn1)C(=O)NC[*:1]
COC(=O)C1=C(C)N=C(C)/C(=C(\[O-])OC)[C@@H]1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C COC(=O)[*:1] CO/C([O-])=C1/C(C)=NC(C)=C([C@H]1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C)[*:1]
Cc1cccc([C@@H](C)CNC(=O)CSc2nnnn2C)c1 Cn1nnnc1[*:1] Cc1cccc(c1)[C@@H](C)CNC(=O)CS[*:1]
Cc1cccc([C@@H](C)CNC(=O)CSc2nnnn2C)c1 Cn1nnnc1S[*:1] Cc1cccc(c1)[C@@H](C)CNC(=O)C[*:1]
Cc1cccc([C@@H](C)CNC(=O)CSc2nnnn2C)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)CSc1nnnn1C)[*:1]
COC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2 Clc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)[*:1])sc2CCCc21
COC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2 COC(=O)[*:1] O=C(Nc1sc2CCCc2c1[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
CCC[NH2+][C@@H]1CCN(CCc2ccccc2)[C@H](C)[C@@H]1C c1ccc(cc1)[*:1] CCC[NH2+][C@@H]1CCN(CC[*:1])[C@H](C)[C@@H]1C
CCC[NH2+][C@@H]1CCN(CCc2ccccc2)[C@H](C)[C@@H]1C CCC[*:1] C[C@@H]1[C@@H](CCN(CCc2ccccc2)[C@@H]1C)[NH2+][*:1]
CCN1C(=O)C(=C(C)Nc2cccnc2)C(=O)N(CC)C1=S c1cncc(c1)N[*:1] CCN1C(=O)C(C(=O)N(CC)C1=S)=C(C)[*:1]
CCN1C(=O)C(=C(C)Nc2cccnc2)C(=O)N(CC)C1=S c1cncc(c1)[*:1] CCN1C(=O)C(C(=O)N(CC)C1=S)=C(C)N[*:1]
CCCSc1nc2ccccc2n1[C@H]1CCCC[C@H]1O CCCS[*:1] O[C@@H]1CCCC[C@@H]1n1c(nc2ccccc21)[*:1]
CCCSc1nc2ccccc2n1[C@H]1CCCC[C@H]1O CCC[*:1] O[C@@H]1CCCC[C@@H]1n1c(nc2ccccc21)S[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)Oc1cccc(N2CCCC2=O)c1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Oc1cccc(c1)N1CCCC1=O
C[C@@H](NC(=O)C(C)(C)C)C(=O)Oc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@@H](NC(=O)C(C)(C)C)C(=O)Oc1cccc(c1)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)Oc1cccc(N2CCCC2=O)c1 CC(C)(C)C(=O)N[*:1] C[C@@H](C(=O)Oc1cccc(c1)N1CCCC1=O)[*:1]
Cn1ccnc1COC(=O)c1csc([C@@H]2CCCO2)n1 C1CO[C@@H](C1)[*:1] Cn1ccnc1COC(=O)c1csc(n1)[*:1]
Cn1ccnc1COC(=O)c1csc([C@@H]2CCCO2)n1 Cn1ccnc1[*:1] O=C(OC[*:1])c1csc(n1)[C@@H]1CCCO1
CCOc1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1[N+](=O)[O-] c1cc([nH]n1)[*:1] CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc1cccc(c1)[*:1]
CCOc1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1[N+](=O)[O-] CCO[*:1] O=C(Nc1cccc(c1)-c1ccn[nH]1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCOc1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])C(=O)Nc1cccc(c1)-c1ccn[nH]1
CC[NH2+][C@@]1(CO)CCC[C@@H](Sc2ccccc2)C1 c1ccc(cc1)[*:1] CC[NH2+][C@@]1(CO)CCC[C@H](C1)S[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C
Cc1nn(CC(C)C)c(C)c1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C CC(C)C[*:1] Cc1nn(c(C)c1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)[*:1]
CCc1noc(CC)c1CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1noc(CC)c1CNc1nc2ccccn2c(=O)c1[*:1]
CC(C)n1ncnc1C[C@@H]([NH3+])[C@@H]1CSCCO1 CC(C)[*:1] [NH3+][C@H](Cc1ncnn1[*:1])[C@@H]1CSCCO1
O=C(N/N=C/C=N/NC(=O)c1cccc(Br)c1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(N/N=C/C=N/NC(=O)[*:1])c1cccc(Br)c1
CCc1nn(C)c(OC)c1CNC(=O)Nc1ccccc1N(C)C CN(C)[*:1] CCc1nn(C)c(OC)c1CNC(=O)Nc1ccccc1[*:1]
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1Br O=C([O-])[*:1] O=S(=O)(Nc1cccc(F)c1)c1ccc(Br)c(c1)[*:1]
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1Br Fc1cccc(c1)[*:1] O=C([O-])c1cc(ccc1Br)S(=O)(=O)N[*:1]
CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)cc1 C1CN(CCO1)[*:1] CCc1ccc(cc1)[C@@H]1C2C(=O)CCCC=2Nc2nc([nH]c(=O)c21)[*:1]
CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)cc1 CCc1ccc(cc1)[*:1] O=C1CCCC2Nc3nc([nH]c(=O)c3[C@@H](C=21)[*:1])N1CCOCC1
CC(C)(NC(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(NC(=O)Nc1ccccc1S(C)(=O)=O)[*:1]
CC(C)(NC(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1 CS(=O)(=O)[*:1] CC(C)(NC(=O)Nc1ccccc1[*:1])c1ccc(Cl)cc1
CCc1nn(C)c(OC)c1CN[C@H](C)c1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] CCc1nn(C)c(OC)c1CN[C@H](C)[*:1]
C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCc2cc(F)ccc2C1 FC(F)(F)C[*:1] C[C@H](C(=O)NC(=O)N[*:1])N1CCc2cc(F)ccc2C1
C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCc2cc(F)ccc2C1 FC(F)(F)[*:1] C[C@H](C(=O)NC(=O)NC[*:1])N1CCc2cc(F)ccc2C1
CSc1cccc(-c2nnc(NC(=O)c3ccc(N(C)C)cc3)o2)c1 CN(C)[*:1] CSc1cccc(c1)-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
CSc1cccc(-c2nnc(NC(=O)c3ccc(N(C)C)cc3)o2)c1 CSc1cccc(c1)[*:1] CN(C)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
Cn1ncc2c(=O)n(CC(=O)NCCc3ccc(O)cc3)cnc21 Oc1ccc(cc1)[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)NCC[*:1]
Cn1ncc2c(=O)n(CC(=O)NCCc3ccc(O)cc3)cnc21 Oc1ccc(cc1)C[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)NC[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccsc1)Cc1ccco1 c1coc(c1)C[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccsc1)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccsc1)Cc1ccco1 c1cc(cs1)C[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccco1)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccsc1)Cc1ccco1 Cc1ccc(Cl)cc1[*:1] O=S(=O)(N(Cc1ccsc1)Cc1ccco1)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccsc1)Cc1ccco1 c1cc(cs1)[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccco1)C[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccsc1)Cc1ccco1 c1coc(c1)[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccsc1)C[*:1]
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(Cl)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1cc(ccc1N1CCCCC1)[*:1])c1ccc(Cl)cc1
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 O=S(=O)(c1ccc(c(c1)[*:1])N1CCCCC1)N1CCOCC1
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(Cl)cc1 C1CCN(CC1)[*:1] O=C(Nc1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1)[*:1]
CCc1cc2c(N3CCC[C@@H](C(=O)N4CCN(c5ncccn5)CC4)C3)ncnc2s1 c1cnc(nc1)[*:1] CCc1cc2c(ncnc2s1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
CN(CCCS(C)(=O)=O)C(=O)CNC(=O)c1cccc(F)c1 CS(=O)(=O)CCC[*:1] CN(C(=O)CNC(=O)c1cccc(F)c1)[*:1]
CN(CCCS(C)(=O)=O)C(=O)CNC(=O)c1cccc(F)c1 CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)CNC(=O)c1cccc(F)c1
CN(CCCS(C)(=O)=O)C(=O)CNC(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(CCCS(C)(=O)=O)C(=O)CNC(=O)[*:1]
CN(CCCS(C)(=O)=O)C(=O)CNC(=O)c1cccc(F)c1 CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)CNC(=O)c1cccc(F)c1
CN(CCCS(C)(=O)=O)C(=O)CNC(=O)c1cccc(F)c1 CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)CNC(=O)c1cccc(F)c1
Cc1cccc(Nc2nnc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)s2)c1 Cc1cccc(c1)[*:1] O=C(Cc1nnc(N[*:1])s1)Nc1ccc(cc1)OC(F)(F)F
Cc1cccc(Nc2nnc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)s2)c1 FC(F)(F)O[*:1] Cc1cccc(c1)Nc1nnc(CC(=O)Nc2ccc(cc2)[*:1])s1
Cc1cccc(Nc2nnc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)s2)c1 Cc1cccc(c1)N[*:1] O=C(Cc1nnc(s1)[*:1])Nc1ccc(cc1)OC(F)(F)F
Cc1cccc(Nc2nnc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)s2)c1 FC(F)(F)[*:1] Cc1cccc(c1)Nc1nnc(CC(=O)Nc2ccc(cc2)O[*:1])s1
Cc1occc1C(=O)Nc1cc(NC(=O)c2ccncc2F)ccc1F Fc1cnccc1[*:1] Cc1occc1C(=O)Nc1cc(ccc1F)NC(=O)[*:1]
Cc1occc1C(=O)Nc1cc(NC(=O)c2ccncc2F)ccc1F Cc1occc1[*:1] O=C(Nc1ccc(F)c(c1)NC(=O)[*:1])c1ccncc1F
CC(=O)N1CCC([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 FC(F)(F)C[*:1] CC(=O)N1CCC(CC1)[NH2+][C@H](c1ccc(F)cc1)[*:1]
CC(=O)N1CCC([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 FC(F)(F)[*:1] CC(=O)N1CCC(CC1)[NH2+][C@H](C[*:1])c1ccc(F)cc1
CC(=O)N1CCC([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)[NH2+][C@H](CC(F)(F)F)[*:1]
CCOc1cc(O[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(SC)n1 CCO[*:1] CSc1nc(cc(n1)[*:1])O[C@H]1CCCN(C1)C(=O)OC(C)(C)C
CCOc1cc(O[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(SC)n1 CC(C)(C)[*:1] CCOc1cc(nc(n1)SC)O[C@H]1CCCN(C1)C(=O)O[*:1]
Fc1ccc(N2CCn3c(SC/C=C/c4ccccc4)nnc32)cc1 Fc1ccc(cc1)[*:1] C(=C/c1ccccc1)\CSc1nnc2N(CCn12)[*:1]
Fc1ccc(N2CCn3c(SC/C=C/c4ccccc4)nnc32)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)N1CCn2c(nnc21)SCC=C[*:1]
Fc1ccc(N2CCn3c(SC/C=C/c4ccccc4)nnc32)cc1 C(=C[*:1])c1ccccc1 Fc1ccc(cc1)N1CCn2c(nnc21)SC[*:1]
CCN1C(=O)[C@@](C)(C(=O)Nc2cccc(C(N)=O)c2)Oc2ccccc21 NC(=O)[*:1] CCN1C(=O)[C@](C)(Oc2ccccc21)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](C)[C@@H](CCl)Cc1cccc(F)c1 CC[C@H](C)[*:1] Fc1cccc(c1)C[C@H](CCl)[*:1]
Cc1ccc(F)c(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 Cc1ccc(F)c(c1)[*:1] O=C(CCCNS(=O)(=O)c1ccc2OCCOc2c1)N[*:1]
Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1c[nH]c2ccccc12
Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 c1ccc2c(c[nH]c2c1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)[*:1]
CN(CCS(C)(=O)=O)C1=NS(=O)(=O)c2ccccc21 CS(=O)(=O)CC[*:1] CN(C1=NS(=O)(=O)c2ccccc21)[*:1]
CN(CCS(C)(=O)=O)C1=NS(=O)(=O)c2ccccc21 CS(=O)(=O)C[*:1] CN(C[*:1])C1=NS(=O)(=O)c2ccccc21
CN(CCS(C)(=O)=O)C1=NS(=O)(=O)c2ccccc21 CS(=O)(=O)[*:1] CN(CC[*:1])C1=NS(=O)(=O)c2ccccc21
CC(C)OCC[NH2+]C1COC1 CC(C)[*:1] C(CO[*:1])[NH2+]C1COC1
CO[C@@H](CNCc1c(C(C)C)nn(C)c1Cl)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNCc1c(nn(C)c1Cl)C(C)C)[*:1]
CO[C@@H](CNCc1c(C(C)C)nn(C)c1Cl)c1ccc(F)cc1 CC(C)[*:1] CO[C@@H](CNCc1c(nn(C)c1Cl)[*:1])c1ccc(F)cc1
Cc1ccc(-n2nnnc2SCC(=O)NCCc2cccs2)c(C)c1 c1csc(c1)C[*:1] Cc1ccc(c(C)c1)-n1nnnc1SCC(=O)NC[*:1]
Cc1ccc(-n2nnnc2SCC(=O)NCCc2cccs2)c(C)c1 c1csc(c1)[*:1] Cc1ccc(c(C)c1)-n1nnnc1SCC(=O)NCC[*:1]
Cc1ccc(-n2nnnc2SCC(=O)NCCc2cccs2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CSc1nnnn1[*:1])NCCc1cccs1
Cc1ccc(-n2nnnc2SCC(=O)NCCc2cccs2)c(C)c1 c1csc(c1)CC[*:1] Cc1ccc(c(C)c1)-n1nnnc1SCC(=O)N[*:1]
C[C@H]1C[C@](C[NH3+])(N2CCC[C@@H]2C2CCCC2)CS1 C1CCC(C1)[*:1] C[C@H]1C[C@@](C[NH3+])(CS1)N1CCC[C@H]1[*:1]
CC(C)(C)c1cc(OC(=O)C2CC2)ccc1O CC(C)(C)[*:1] O=C(Oc1ccc(O)c(c1)[*:1])C1CC1
CC(C)(C)c1cc(OC(=O)C2CC2)ccc1O C1CC1[*:1] CC(C)(C)c1cc(ccc1O)OC(=O)[*:1]
CC[C@@H]1CCC[C@H](NC(=O)[C@@H](C)NC(=O)c2ccoc2)C1 c1cc(co1)[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)[C@@H](C)NC(=O)[*:1]
CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(COc3ccccn3)CC2)on1 CC(C)(C)[*:1] O=C(C[NH+]1CCC(CC1)COc1ccccn1)Nc1cc(no1)[*:1]
CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(COc3ccccn3)CC2)on1 c1ccc(nc1)[*:1] CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(CC2)CO[*:1])on1
CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(COc3ccccn3)CC2)on1 c1ccc(nc1)O[*:1] CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(CC2)C[*:1])on1
CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(COc3ccccn3)CC2)on1 CC(C)(C)c1cc(on1)[*:1] O=C(C[NH+]1CCC(CC1)COc1ccccn1)N[*:1]
CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(COc3ccccn3)CC2)on1 c1ccc(nc1)OC[*:1] CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(CC2)[*:1])on1
C[NH2+]Cc1nc(C)ccc1OC[C@@H](C)C(N)=O C[C@@H](C(N)=O)[*:1] C[NH2+]Cc1nc(C)ccc1OC[*:1]
C[NH2+]Cc1nc(C)ccc1OC[C@@H](C)C(N)=O NC(=O)[*:1] C[NH2+]Cc1nc(C)ccc1OC[C@@H](C)[*:1]
CCCc1c([O-])nc(S[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)[nH]c1=O CCC[*:1] O=C1C[C@H](Sc2nc([O-])c(c(=O)[nH]2)[*:1])C(=O)N1c1ccc(F)cc1
CCCc1c([O-])nc(S[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)[nH]c1=O Fc1ccc(cc1)[*:1] CCCc1c([O-])nc([nH]c1=O)S[C@H]1CC(=O)N(C1=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)/N=c2/cccc[nH]2)cc1 CC(=O)[*:1] O=S(=O)(/N=c1/cccc[nH]1)c1ccc(cc1)[*:1]
CC(C)c1ncc(CN2CCO[C@@H](C(=O)N3CCCCCC3)C2)cn1 CC(C)[*:1] O=C([C@H]1CN(CCO1)Cc1cnc(nc1)[*:1])N1CCCCCC1
COC[C@H](NC(=O)CNC(=O)c1cccc(C)c1)c1ccc(F)c(F)c1 Cc1cccc(c1)[*:1] COC[C@H](NC(=O)CNC(=O)[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)CNC(=O)c1cccc(C)c1)c1ccc(F)c(F)c1 COC[*:1] Cc1cccc(c1)C(=O)NCC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
COC[C@H](NC(=O)CNC(=O)c1cccc(C)c1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)CNC(=O)c1cccc(C)c1)[*:1]
Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)on1 Cc1cc(on1)[*:1] N#Cc1ccc(c(c1)[N+](=O)[O-])N1CC[NH+](CC1)C[*:1]
Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)on1 O=[N+]([O-])[*:1] Cc1cc(C[NH+]2CCN(CC2)c2ccc(C#N)cc2[*:1])on1
Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)on1 Cc1cc(C[*:1])on1 N#Cc1ccc(c(c1)[N+](=O)[O-])N1CC[NH+](CC1)[*:1]
CCNC(=O)C(=O)N[C@H](C)CC CC[C@@H](C)[*:1] CCNC(=O)C(=O)N[*:1]
C#CCN1CCC[NH+](CC(=O)N2CCCC2)CC1 C#CC[*:1] O=C(C[NH+]1CCCN(CC1)[*:1])N1CCCC1
CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2ccc(C)nc21 C1CCCC(CC1)[*:1] CCn1cc(C(=O)N[*:1])c(=O)c2ccc(C)nc21
CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 CC(=O)[*:1] Cc1cccc(c1)CS(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 Cc1cccc(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)C[*:1]
CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 Cc1cccc(c1)C[*:1] CC(=O)c1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 CC(=O)c1cccc(c1)[*:1] Cc1cccc(c1)CS(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCc1nnc(-n2ccc3nc(C)c(C(=O)OC)c(-c4ccc(Cl)cc4)c3c2=O)[nH]1 COC(=O)[*:1] CCc1nnc([nH]1)-n1ccc2nc(C)c(c(-c3ccc(Cl)cc3)c2c1=O)[*:1]
CCc1nnc(-n2ccc3nc(C)c(C(=O)OC)c(-c4ccc(Cl)cc4)c3c2=O)[nH]1 Clc1ccc(cc1)[*:1] CCc1nnc([nH]1)-n1ccc2nc(C)c(C(=O)OC)c(c2c1=O)[*:1]
Cc1ccc(-c2n[nH]c(NC(=O)Cc3cccc(OCC#N)c3)c2C)o1 Cc1ccc(o1)[*:1] Cc1c(n[nH]c1NC(=O)Cc1cccc(c1)OCC#N)[*:1]
Cc1ccc(-c2n[nH]c(NC(=O)Cc3cccc(OCC#N)c3)c2C)o1 N#CC[*:1] Cc1ccc(o1)-c1n[nH]c(NC(=O)Cc2cccc(c2)O[*:1])c1C
Cc1ccc(-c2n[nH]c(NC(=O)Cc3cccc(OCC#N)c3)c2C)o1 N#CCO[*:1] Cc1ccc(o1)-c1n[nH]c(NC(=O)Cc2cccc(c2)[*:1])c1C
C[C@H](NNC(=S)N1CCN(c2cccc[nH+]2)CC1)c1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] C[C@H](NNC(=S)N1CCN(CC1)c1cccc[nH+]1)[*:1]
CN1CCCN(C(=O)Nc2ccc(F)cc2)c2nc3ccccc3nc21 Fc1ccc(cc1)[*:1] CN1CCCN(C(=O)N[*:1])c2nc3ccccc3nc21
CCOc1ccc([C@H]2N=C3Oc4ccccc4C=C3C(=O)N2)cc1 CCO[*:1] O=C1N[C@H](N=C2Oc3ccccc3C=C12)c1ccc(cc1)[*:1]
COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 c1cncc(c1)N[*:1] COc1ccc(C)cc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 c1cncc(c1)[*:1] COc1ccc(C)cc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N[*:1]
COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 COc1ccc(C)cc1[*:1] O=S(=O)(N1CCN(CC1)c1ccc(nn1)Nc1cccnc1)[*:1]
CCCCN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O CCC[*:1] C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
CCCCN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O C[C@@H](O)[*:1] CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@@H]2[*:1])C(=O)Nc2ccc(Br)cc21
CCCCN1C(=O)[C@@H]2[C@H]([C@@H](C)O)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O CCCC[*:1] C[C@@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 Cc1c(Cl)cccc1[*:1] C[C@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 c1csc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nnc(n1C[C@@H]1CCCO1)[*:1]
COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(Cl)cc1 c1cc2OCOc2cc1[*:1] COCCOC(=O)C1=C(C)N(C(=O)N[C@@H]1c1ccc(Cl)cc1)[*:1]
COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(Cl)cc1 COC[*:1] CC1=C(C(=O)OC[*:1])[C@H](NC(=O)N1c1ccc2OCOc2c1)c1ccc(Cl)cc1
COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(Cl)cc1 COCC[*:1] CC1=C(C(=O)O[*:1])[C@H](NC(=O)N1c1ccc2OCOc2c1)c1ccc(Cl)cc1
COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(Cl)cc1 COCCOC(=O)[*:1] CC1=C([C@H](NC(=O)N1c1ccc2OCOc2c1)c1ccc(Cl)cc1)[*:1]
COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCOC(=O)C1=C(C)N(C(=O)N[C@H]1[*:1])c1ccc2OCOc2c1
CCN(CC(=O)NC(C)C)S(=O)(=O)c1cc(F)ccc1OC CC(C)NC(=O)C[*:1] CCN(S(=O)(=O)c1cc(F)ccc1OC)[*:1]
CCN(CC(=O)NC(C)C)S(=O)(=O)c1cc(F)ccc1OC CC(C)[*:1] CCN(CC(=O)N[*:1])S(=O)(=O)c1cc(F)ccc1OC
CCN(CC(=O)NC(C)C)S(=O)(=O)c1cc(F)ccc1OC CC(C)NC(=O)[*:1] CCN(C[*:1])S(=O)(=O)c1cc(F)ccc1OC
C[C@H](c1ccccc1)N(C)C(=O)c1ccccc1C(F)(F)F c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1ccccc1C(F)(F)F)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@H](c1ccccc1)N(C)C(=O)c1ccccc1[*:1]
O=C(c1ccc([C@H]2CCCN2C(=O)Cn2cnnn2)s1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(Cn1cnnn1)N1CCC[C@@H]1c1ccc(s1)[*:1]
O=C(c1ccc([C@H]2CCCN2C(=O)Cn2cnnn2)s1)N1CCCCC1 c1nnnn1[*:1] O=C(c1ccc(s1)[C@H]1CCCN1C(=O)C[*:1])N1CCCCC1
O=C(c1ccc([C@H]2CCCN2C(=O)Cn2cnnn2)s1)N1CCCCC1 c1nnnn1C[*:1] O=C(c1ccc(s1)[C@H]1CCCN1C(=O)[*:1])N1CCCCC1
CCOc1ccc(Br)cc1[C@H](N)C(F)(F)C(F)F CCO[*:1] N[C@@H](c1cc(Br)ccc1[*:1])C(F)(F)C(F)F
CCOc1ccc(Br)cc1[C@H](N)C(F)(F)C(F)F FC(F)[*:1] CCOc1ccc(Br)cc1[C@H](N)C(F)(F)[*:1]
CCOc1ccc(Br)cc1[C@H](N)C(F)(F)C(F)F FC(F)C(F)(F)[*:1] CCOc1ccc(Br)cc1[C@H](N)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(OC)ccc2Cl)cc1 CCN(CC)S(=O)(=O)[*:1] COc1ccc(Cl)c(c1)NC(=O)c1ccc(cc1)[*:1]
O=C(c1ccccc1)[C@H]1C(/C=C/c2ccccc2)=NO[C@]12C(=O)Nc1ccccc12 O=C(c1ccccc1)[*:1] O=C1Nc2ccccc2[C@@]12ON=C(/C=C/c1ccccc1)[C@@H]2[*:1]
O=C(c1ccccc1)[C@H]1C(/C=C/c2ccccc2)=NO[C@]12C(=O)Nc1ccccc12 c1ccc(cc1)[*:1] O=C(c1ccccc1)[C@H]1C(C=C[*:1])=NO[C@]12C(=O)Nc1ccccc12
O=C(c1ccccc1)[C@H]1C(/C=C/c2ccccc2)=NO[C@]12C(=O)Nc1ccccc12 C(=C[*:1])c1ccccc1 O=C(c1ccccc1)[C@H]1C(=NO[C@]12C(=O)Nc1ccccc12)[*:1]
O=C(c1ccccc1)[C@H]1C(/C=C/c2ccccc2)=NO[C@]12C(=O)Nc1ccccc12 c1ccc(cc1)[*:1] O=C1Nc2ccccc2[C@@]12ON=C(/C=C/c1ccccc1)[C@@H]2C(=O)[*:1]
CCOC(=O)C1(C)CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 C1CCN(C1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)Nc1ccccc1[*:1]
CCOC(=O)C1(C)CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)Nc1ccccc1N1CCCC1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Nc4ccccc4)nc3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)Nc1ccccc1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Nc4ccccc4)nc3)C2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(nc1)N[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Nc4ccccc4)nc3)C2)cc1 c1ccc(cc1)N[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(nc1)[*:1]
C#CCN1CCCc2cccc(OC)c21 C#CC[*:1] COc1cccc2CCCN(c21)[*:1]
Cc1ccc(S(=O)(=O)CCCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)CCC[*:1]
CCC[NH+]1CCN(C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)CC1 CCC[*:1] O=C1N[C@@]2(CCC(=O)N(CC2)CC(=O)N2CC[NH+](CC2)[*:1])Nc2ccccc21
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@@H]2COc3ccccc3C2)c1 CNS(=O)(=O)[*:1] C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)c1cccc(c1)[*:1]
Cc1nc(C[NH+](CCO)Cc2ccsc2)cs1 c1cc(cs1)[*:1] Cc1nc(cs1)C[NH+](CCO)C[*:1]
Cc1nc(C[NH+](CCO)Cc2ccsc2)cs1 OCC[*:1] Cc1nc(cs1)C[NH+](Cc1ccsc1)[*:1]
CC(C)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl CC(C)C[*:1] O=C(CNC(=O)c1ccc(Cl)cc1Cl)N[*:1]
CC(C)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl CC(C)[*:1] O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[*:1]
Cn1cccc1[C@H]1CCCCCN1C(=O)CNC(=O)c1cccs1 c1csc(c1)[*:1] Cn1cccc1[C@H]1CCCCCN1C(=O)CNC(=O)[*:1]
Cn1cccc1[C@H]1CCCCCN1C(=O)CNC(=O)c1cccs1 Cn1cccc1[*:1] O=C(NCC(=O)N1CCCCC[C@@H]1[*:1])c1cccs1
Cn1cccc1[C@H]1CCCCCN1C(=O)CNC(=O)c1cccs1 O=C(N[*:1])c1cccs1 Cn1cccc1[C@H]1CCCCCN1C(=O)C[*:1]
CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC(C[NH+]4CCCCCC4)CC3)cc2c1C CCOC(=O)[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCC(CC1)C[NH+]1CCCCCC1)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccnc2Cl)C1 Clc1ncccc1[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)C(=O)N[*:1]
Cc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)c1nc(ncc1Cl)S(=O)(=O)C[*:1]
Cc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])c1nc(ncc1Cl)S(=O)(=O)Cc1ccc(F)cc1
Cc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)cc1C Fc1ccc(cc1)C[*:1] Cc1ccc(cc1C)NC(=O)c1nc(ncc1Cl)S(=O)(=O)[*:1]
O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(CC=C[*:1])CC1
O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 Clc1cccc(Cl)c1[*:1] O=S(=O)(N1CCN(C/C=C/c2ccccc2)CC1)[*:1]
O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(CC1)C[*:1]
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CN1CCCOC1=O O=C1OCCCN1[*:1] CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C[*:1]
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CN1CCCOC1=O O=C1OCCCN1C[*:1] CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[*:1]
O=C1[C@@H]([NH2+]C2CCCC2)CCN1CCCc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@H](CCN1CC[*:1])[NH2+]C1CCCC1
O=C1[C@@H]([NH2+]C2CCCC2)CCN1CCCc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCN1CCC[*:1])[NH2+]C1CCCC1
O=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)Nc1ccc(F)cc1 O=C(N1CCCCC1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)[*:1])Nc1ccc(F)cc1
O=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)C(=O)N1CCCCC1)N[*:1]
O=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=C(c1ccc2OCC(=O)N(C[*:1])c2c1)N1CCCCC1
COc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(O)c1 c1ccc(cc1)[*:1] COc1ccc(C(=O)NC2CCN(CC2)[*:1])c(O)c1
CC(C)NC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1F CC(C)NC(=O)C[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1F CC(C)NC(=O)[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc(Cl)cc1F
CC(C)NC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1F CC(C)[*:1] C[C@@H](CC(=O)N[*:1])NC(=O)C(=O)Nc1ccc(Cl)cc1F
COc1ccc(/C=C2\SC(=O)N(CC(N)=O)C2=O)cc1 NC(=O)[*:1] COc1ccc(/C=C2\SC(=O)N(C[*:1])C2=O)cc1
COc1ccc(/C=C2\SC(=O)N(CC(N)=O)C2=O)cc1 NC(=O)C[*:1] COc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1
CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O Fc1ccc(cc1F)[*:1] CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O Clc1ccc(C[*:1])s1 CN(C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(F)c(F)c1)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O Clc1ccc(s1)[*:1] CN(C[*:1])C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(F)c(F)c1
C[NH+](CC(=O)Nc1nncs1)Cc1cccc2ccccc12 c1nnc(s1)[*:1] C[NH+](CC(=O)N[*:1])Cc1cccc2ccccc12
CCC[NH2+][C@@H](CC)c1ccn(Cc2ccc(Cl)c(Cl)c2)c1 CCC[*:1] CC[C@H]([NH2+][*:1])c1ccn(c1)Cc1ccc(Cl)c(Cl)c1
Cc1[nH]nc(C(N)=O)c1NC(=O)c1ccc(Cl)cc1 NC(=O)[*:1] Cc1[nH]nc(c1NC(=O)c1ccc(Cl)cc1)[*:1]
NC(=O)C1([NH2+]CCC2CCCC2)CCCCC1 C1CCC(C1)[*:1] NC(=O)C1(CCCCC1)[NH2+]CC[*:1]
NC(=O)C1([NH2+]CCC2CCCC2)CCCCC1 NC(=O)[*:1] C1CCC(CC1)([NH2+]CCC1CCCC1)[*:1]
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1 CC(=O)N[*:1] Cc1ccc(o1)C(=O)NNC(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)NNC(=O)[*:1]
COc1ccc(S(=O)(=O)CCc2noc(C(=O)NC3CC3)n2)cc1 O=C(NC1CC1)[*:1] COc1ccc(cc1)S(=O)(=O)CCc1noc(n1)[*:1]
COc1ccc(S(=O)(=O)CCc2noc(C(=O)NC3CC3)n2)cc1 C1CC1[*:1] COc1ccc(cc1)S(=O)(=O)CCc1noc(n1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)CCc2noc(C(=O)NC3CC3)n2)cc1 COc1ccc(cc1)[*:1] O=C(NC1CC1)c1nc(CCS(=O)(=O)[*:1])no1
CCCCCn1cnc2sc(C)cc2c1=O CCCC[*:1] Cc1cc2c(=O)n(cnc2s1)C[*:1]
CCCCCn1cnc2sc(C)cc2c1=O CCCCC[*:1] Cc1cc2c(=O)n(cnc2s1)[*:1]
CCCCCn1cnc2sc(C)cc2c1=O CCC[*:1] Cc1cc2c(=O)n(cnc2s1)CC[*:1]
O=c1c(Cl)c(-c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1=O Clc1ccc(cc1)C[*:1] O=c1c(Cl)c(-c2cn(c3ccccc23)[*:1])c1=O
O=c1c(Cl)c(-c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1=O O=c1c(Cl)c(c1=O)[*:1] Clc1ccc(cc1)Cn1cc(c2ccccc21)[*:1]
O=c1c(Cl)c(-c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1=O Clc1ccc(cc1)[*:1] O=c1c(Cl)c(-c2cn(C[*:1])c3ccccc23)c1=O
CC[C@@H]1Oc2ccc([N+](=O)[O-])cc2N(Cc2ccccc2F)C1=O Fc1ccccc1C[*:1] CC[C@@H]1Oc2ccc(cc2N(C1=O)[*:1])[N+](=O)[O-]
CC[C@@H]1Oc2ccc([N+](=O)[O-])cc2N(Cc2ccccc2F)C1=O O=[N+]([O-])[*:1] CC[C@@H]1Oc2ccc(cc2N(Cc2ccccc2F)C1=O)[*:1]
CC[C@@H]1Oc2ccc([N+](=O)[O-])cc2N(Cc2ccccc2F)C1=O Fc1ccccc1[*:1] CC[C@@H]1Oc2ccc(cc2N(C[*:1])C1=O)[N+](=O)[O-]
CC[C@H](CO)[NH+]1CCN([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 Clc1ccccc1[*:1] CC[C@H](CO)[NH+]1CCN(CC1)[C@H]1CCCN(C1=O)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(C[*:1])o1 Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccc(C)o2)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(CN(/C([O-])=N/S(=O)(=O)[*:1])[C@@H]2CCS(=O)(=O)C2)o1
CCCNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O CCC[*:1] CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N[*:1]
CCCNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O CCCNC(=O)[*:1] CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C[*:1]
CCCNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O CCCNC(=O)C[*:1] CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2[*:1]
CCCNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O CC(C)[*:1] CCCNC(=O)CN1c2ccc(cc2-c2ccccc2S1(=O)=O)[*:1]
CCC[C@H](Cc1ccc(O)cc1)[NH2+]CC CCC[*:1] CC[NH2+][C@@H](Cc1ccc(O)cc1)[*:1]
C[NH+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] C[NH+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1[*:1]
Cc1cccc(CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C)c1 Cc1cccc(c1)[*:1] C[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1CC[*:1]
CCOc1ccc2nc(S[C@@H](C)[C@@H](C)C(=O)NN)[nH]c2c1 CCO[*:1] C[C@H](Sc1nc2ccc(cc2[nH]1)[*:1])[C@@H](C)C(=O)NN
CCOc1ccc2nc(S[C@@H](C)[C@@H](C)C(=O)NN)[nH]c2c1 NNC(=O)[*:1] CCOc1ccc2nc([nH]c2c1)S[C@@H](C)[C@@H](C)[*:1]
C[C@@H]([NH2+]Cc1nncn1C1CC1)c1nc(-c2ccccc2)cs1 C1CC1[*:1] C[C@@H]([NH2+]Cc1nncn1[*:1])c1nc(cs1)-c1ccccc1
C[C@@H]([NH2+]Cc1nncn1C1CC1)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]Cc1nncn1C1CC1)c1nc(cs1)[*:1]
O=C([O-])/C=C/C(=O)N1CCn2c1nc1ccccc12 O=C([O-])[*:1] O=C(C=C[*:1])N1CCn2c1nc1ccccc12
CC(C)Cc1ccc([C@@H](O)[C@@]2(C#N)CC[C@H](C)C2)cc1 CC(C)C[*:1] C[C@H]1CC[C@@](C#N)(C1)[C@H](O)c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H](O)[C@@]2(C#N)CC[C@H](C)C2)cc1 CC(C)[*:1] C[C@H]1CC[C@@](C#N)(C1)[C@H](O)c1ccc(cc1)C[*:1]
CNC(=O)c1ccc([C@H]2CCCN2C(=O)CCc2cc3n(n2)CCC[NH2+]C3)s1 CNC(=O)[*:1] O=C(CCc1cc2C[NH2+]CCCn2n1)N1CCC[C@@H]1c1ccc(s1)[*:1]
CNC(=O)c1ccc([C@H]2CCCN2C(=O)CCc2cc3n(n2)CCC[NH2+]C3)s1 CNC(=O)c1ccc(s1)[*:1] O=C(CCc1cc2C[NH2+]CCCn2n1)N1CCC[C@@H]1[*:1]
C[NH+](C)C[C@H](O)Cn1cc(Nc2ccc([N+](=O)[O-])cc2C#N)cn1 O=[N+]([O-])[*:1] C[NH+](C)C[C@H](O)Cn1cc(cn1)Nc1ccc(cc1C#N)[*:1]
Cc1ccc2[nH]c3nc(SCC(=O)N4CCCCC4)nnc3c2c1 O=C(N1CCCCC1)[*:1] Cc1ccc2[nH]c3nc(nnc3c2c1)SC[*:1]
O=C(NCC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(NCC1CCN(CC1)c1cccc[nH+]1)[*:1]
C=CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1 C=CC[*:1] O=C(N/N=C/c1ccc(cc1)O[*:1])C(=O)N1CCCCC1
C=CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1 C=CCO[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])C(=O)N1CCCCC1
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 NC(=O)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)OC[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 NC(=O)C[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)O[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1 NC(=O)CO[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)[*:1]
COc1cc2ncn(CCC(=O)Nc3cccc(SC)c3)c(=O)c2cc1OC CSc1cccc(c1)[*:1] COc1cc2ncn(CCC(=O)N[*:1])c(=O)c2cc1OC
Cc1ccccc1C[NH2+]Cc1ccc(C(=O)N2CCNC(=O)C2)cc1 Cc1ccccc1C[*:1] O=C1CN(CCN1)C(=O)c1ccc(cc1)C[NH2+][*:1]
Cc1ccccc1C[NH2+]Cc1ccc(C(=O)N2CCNC(=O)C2)cc1 Cc1ccccc1[*:1] O=C1CN(CCN1)C(=O)c1ccc(cc1)C[NH2+]C[*:1]
CCC(CC)NS(=O)(=O)c1ccc(Br)c(C)c1 CCC(CC)[*:1] Cc1cc(ccc1Br)S(=O)(=O)N[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)c2cnc3ccc(C)cn23)c1 CCC(=O)N[*:1] Cc1ccc2ncc(C(=O)Nc3cc(ccc3C)[*:1])n2c1
O=C(CCl)NC[C@@H]1Cc2ccccc2O1 O=C(CCl)N[*:1] c1ccc2O[C@@H](Cc2c1)C[*:1]
CC(C)C(=O)NCCNC(=O)c1cccc(C(=O)N(C)C)c1 CC(C)C(=O)N[*:1] CN(C)C(=O)c1cccc(c1)C(=O)NCC[*:1]
CC(C)C(=O)NCCNC(=O)c1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC(C)C(=O)NCCNC(=O)c1cccc(c1)[*:1]
CC(C)C(=O)NCCNC(=O)c1cccc(C(=O)N(C)C)c1 CC(C)C(=O)NC[*:1] CN(C)C(=O)c1cccc(c1)C(=O)NC[*:1]
CC(C)C(=O)NCCNC(=O)c1cccc(C(=O)N(C)C)c1 CC(C)[*:1] CN(C)C(=O)c1cccc(c1)C(=O)NCCNC(=O)[*:1]
Nc1c(NN(c2ccccc2)c2ccccc2)ncnc1-n1nnc2ccccc21 c1ccc2c(c1)nnn2[*:1] Nc1c(ncnc1[*:1])NN(c1ccccc1)c1ccccc1
Nc1c(NN(c2ccccc2)c2ccccc2)ncnc1-n1nnc2ccccc21 c1ccc(cc1)[*:1] Nc1c(ncnc1-n1nnc2ccccc21)NN(c1ccccc1)[*:1]
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2scnc2C2CC2)C1 Fc1ccccc1[*:1] C[C@H]1C[C@H](N(C1)C(=O)c1scnc1C1CC1)[*:1]
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2scnc2C2CC2)C1 C1CC1[*:1] C[C@H]1C[C@H](c2ccccc2F)N(C1)C(=O)c1scnc1[*:1]
CCOc1ccccc1-n1nnnc1SCc1cc(=O)oc2c(C)c(C)ccc12 CCOc1ccccc1[*:1] Cc1ccc2c(cc(=O)oc2c1C)CSc1nnnn1[*:1]
CCOc1ccccc1-n1nnnc1SCc1cc(=O)oc2c(C)c(C)ccc12 CCO[*:1] Cc1ccc2c(cc(=O)oc2c1C)CSc1nnnn1-c1ccccc1[*:1]
COc1ccc(CCN2C[C@H](C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2=O)cc1OC COc1ccc(cc1OC)C[*:1] O=C(Nc1ccc2OC3(CCCC3)Oc2c1)[C@@H]1CC(=O)N(C1)C[*:1]
COc1ccc(CCN2C[C@H](C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2=O)cc1OC COc1ccc(cc1OC)[*:1] O=C(Nc1ccc2OC3(CCCC3)Oc2c1)[C@@H]1CC(=O)N(CC[*:1])C1
CCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2OC)CC1 CCNC(=O)[*:1] COc1ccc(Br)cc1C[NH+]1CCC(CC1)[*:1]
COc1ccc(OC)c(/C=C2\SC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 FC(F)(F)[*:1] COc1ccc(OC)c(/C=C2\SC(=O)N(C2=O)c2cccc(c2)[*:1])c1
Cc1ccncc1NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 O=C(N[*:1])C1CCCCC1 Cc1ccncc1NC(=O)NCc1cccc(c1)[*:1]
Cc1ccncc1NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 Cc1ccncc1[*:1] O=C(NCc1cccc(c1)NC(=O)C1CCCCC1)N[*:1]
Cc1ccncc1NC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1ccncc1NC(=O)NCc1cccc(c1)NC(=O)[*:1]
C[C@@H](CCCC(C)(C)O)NC(=O)c1ccc2nc(C3CC3)oc2c1 CC(C)(O)[*:1] C[C@@H](CCC[*:1])NC(=O)c1ccc2nc(oc2c1)C1CC1
C[C@@H](CCCC(C)(C)O)NC(=O)c1ccc2nc(C3CC3)oc2c1 CC(C)(O)C[*:1] C[C@@H](CC[*:1])NC(=O)c1ccc2nc(oc2c1)C1CC1
C[C@@H](CCCC(C)(C)O)NC(=O)c1ccc2nc(C3CC3)oc2c1 CC(C)(O)CC[*:1] C[C@@H](C[*:1])NC(=O)c1ccc2nc(oc2c1)C1CC1
C[C@@H](CCCC(C)(C)O)NC(=O)c1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] C[C@@H](CCCC(C)(C)O)NC(=O)c1ccc2nc(oc2c1)[*:1]
C[C@@H](CCCC(C)(C)O)NC(=O)c1ccc2nc(C3CC3)oc2c1 CC(C)(O)CCC[*:1] C[C@@H](NC(=O)c1ccc2nc(oc2c1)C1CC1)[*:1]
Cc1ccc2ncc(C(=O)Nc3cccc(-c4nc[nH]n4)c3)n2c1 c1nc(n[nH]1)[*:1] Cc1ccc2ncc(C(=O)Nc3cccc(c3)[*:1])n2c1
COCCN1CCN(C(=O)C[C@H](O)C(C)C)CC1=O COCC[*:1] CC(C)[C@@H](O)CC(=O)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)C[C@H](O)C(C)C)CC1=O COC[*:1] CC(C)[C@@H](O)CC(=O)N1CCN(C[*:1])C(=O)C1
COCCN1CCN(C(=O)C[C@H](O)C(C)C)CC1=O CC(C)[C@@H](O)[*:1] COCCN1CCN(CC1=O)C(=O)C[*:1]
COCCN1CCN(C(=O)C[C@H](O)C(C)C)CC1=O CC(C)[*:1] COCCN1CCN(CC1=O)C(=O)C[C@H](O)[*:1]
COCCN1CCN(C(=O)C[C@H](O)C(C)C)CC1=O CC(C)[C@@H](O)C[*:1] COCCN1CCN(CC1=O)C(=O)[*:1]
CS(=O)(=O)c1ccccc1NC(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] CS(=O)(=O)c1ccccc1NC(=O)c1nc(n2ccccc12)[*:1]
CS(=O)(=O)c1ccccc1NC(=O)c1nc(C2CC2)n2ccccc12 CS(=O)(=O)[*:1] O=C(Nc1ccccc1[*:1])c1nc(C2CC2)n2ccccc12
O=C(C[C@H]1CCCN1C(=O)Cc1ccc[nH]1)c1cccs1 c1c[nH]c(c1)[*:1] O=C(C[C@H]1CCCN1C(=O)C[*:1])c1cccs1
O=C(C[C@H]1CCCN1C(=O)Cc1ccc[nH]1)c1cccs1 c1csc(c1)[*:1] O=C(Cc1ccc[nH]1)N1CCC[C@@H]1CC(=O)[*:1]
O=C(C[C@H]1CCCN1C(=O)Cc1ccc[nH]1)c1cccs1 O=C(c1cccs1)[*:1] O=C(Cc1ccc[nH]1)N1CCC[C@@H]1C[*:1]
O=C(C[C@H]1CCCN1C(=O)Cc1ccc[nH]1)c1cccs1 c1c[nH]c(c1)C[*:1] O=C(C[C@H]1CCCN1C(=O)[*:1])c1cccs1
O=C(NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccccc1F C1CCC(CC1)[*:1] O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccccc1F
O=C(NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccccc1F Fc1ccccc1[*:1] O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)NC1CCCCC1)[*:1]
COC[C@H](C)N1C[C@@H](C(=O)Nc2cccc(Br)c2)CC1=O COC[C@H](C)[*:1] O=C(Nc1cccc(Br)c1)[C@H]1CC(=O)N(C1)[*:1]
COC[C@H](C)N1C[C@@H](C(=O)Nc2cccc(Br)c2)CC1=O COC[*:1] C[C@H](N1C[C@H](CC1=O)C(=O)Nc1cccc(Br)c1)[*:1]
COC[C@H](C)N1C[C@@H](C(=O)Nc2cccc(Br)c2)CC1=O Brc1cccc(c1)[*:1] COC[C@H](C)N1C[C@H](CC1=O)C(=O)N[*:1]
CC(C)N(CC(N)=O)C(=O)[C@H](C)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(CC(N)=O)C(=O)[C@H](C)NC(=O)[*:1]
CC(C)N(CC(N)=O)C(=O)[C@H](C)NC(=O)c1ccccc1 CC(C)[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N(CC(N)=O)[*:1]
CC(C)N(CC(N)=O)C(=O)[C@H](C)NC(=O)c1ccccc1 NC(=O)C[*:1] CC(C)N(C(=O)[C@H](C)NC(=O)c1ccccc1)[*:1]
CC(C)N(CC(N)=O)C(=O)[C@H](C)NC(=O)c1ccccc1 NC(=O)[*:1] CC(C)N(C[*:1])C(=O)[C@H](C)NC(=O)c1ccccc1
Cc1ccc(-c2nn3c(CC(C)C)nnc3s2)cn1 CC(C)C[*:1] Cc1ccc(cn1)-c1nn2c(nnc2s1)[*:1]
Cc1ccc(-c2nn3c(CC(C)C)nnc3s2)cn1 CC(C)[*:1] Cc1ccc(cn1)-c1nn2c(C[*:1])nnc2s1
COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1 COC(=O)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1ccc(cc1)[*:1]
CC(C)(C)c1ccccc1OCC(=O)NCc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)c1ccccc1OCC(=O)NCc1nncn1[*:1]
CC(C)(C)c1ccccc1OCC(=O)NCc1nncn1-c1ccccc1 CC(C)(C)[*:1] O=C(COc1ccccc1[*:1])NCc1nncn1-c1ccccc1
CCCc1cc2c(c(=O)n1CC)[C@@H](c1cccnc1)C(C(=O)OC)=C(N)O2 CCC[*:1] CCn1c(cc2OC(N)=C(C(=O)OC)[C@H](c3cccnc3)c2c1=O)[*:1]
CCCc1cc2c(c(=O)n1CC)[C@@H](c1cccnc1)C(C(=O)OC)=C(N)O2 COC(=O)[*:1] CCCc1cc2OC(N)=C([C@H](c3cccnc3)c2c(=O)n1CC)[*:1]
CCCc1cc2c(c(=O)n1CC)[C@@H](c1cccnc1)C(C(=O)OC)=C(N)O2 c1cncc(c1)[*:1] CCCc1cc2OC(N)=C(C(=O)OC)[C@H](c2c(=O)n1CC)[*:1]
FC(F)(F)c1ccc([C@H]2[NH2+]Cc3cc4c(cc3-n3cccc32)OCO4)cc1 FC(F)(F)[*:1] c1cc2[C@H]([NH2+]Cc3cc4OCOc4cc3-n2c1)c1ccc(cc1)[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(CCO)CC1 OCC[*:1] CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(CC1)[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(CCO)CC1 CCO[*:1] O=S(=O)(c1cc(Br)ccc1[*:1])N1CCN(CCO)CC1
CCc1cc(OCCC(=O)[O-])nc(-c2cnccn2)n1 O=C([O-])C[*:1] CCc1cc(nc(n1)-c1cnccn1)OC[*:1]
CCc1cc(OCCC(=O)[O-])nc(-c2cnccn2)n1 O=C([O-])CCO[*:1] CCc1cc(nc(n1)-c1cnccn1)[*:1]
CCc1cc(OCCC(=O)[O-])nc(-c2cnccn2)n1 c1cnc(cn1)[*:1] CCc1cc(nc(n1)[*:1])OCCC(=O)[O-]
CCc1cc(OCCC(=O)[O-])nc(-c2cnccn2)n1 O=C([O-])CC[*:1] CCc1cc(nc(n1)-c1cnccn1)O[*:1]
CCc1cc(OCCC(=O)[O-])nc(-c2cnccn2)n1 O=C([O-])[*:1] CCc1cc(nc(n1)-c1cnccn1)OCC[*:1]
CC[C@@H](C)CN(CC)C(=O)N1[C@H](C(=O)[O-])CS[C@@H]1C(C)C CC[C@@H](C)C[*:1] CCN(C(=O)N1[C@@H](CS[C@@H]1C(C)C)C(=O)[O-])[*:1]
CC[C@@H](C)CN(CC)C(=O)N1[C@H](C(=O)[O-])CS[C@@H]1C(C)C CC(C)[*:1] CC[C@@H](C)CN(CC)C(=O)N1[C@@H](CS[C@H]1[*:1])C(=O)[O-]
CC[C@@H](C)CN(CC)C(=O)N1[C@H](C(=O)[O-])CS[C@@H]1C(C)C O=C([O-])[*:1] CC[C@@H](C)CN(CC)C(=O)N1[C@H](SC[C@@H]1[*:1])C(C)C
CC[C@@H](C)CN(CC)C(=O)N1[C@H](C(=O)[O-])CS[C@@H]1C(C)C CC[C@@H](C)[*:1] CCN(C[*:1])C(=O)N1[C@@H](CS[C@@H]1C(C)C)C(=O)[O-]
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1c(Cl)cccc1Cl c1cc(ccn1)[*:1] COc1cc(/C=N/NC(=O)[*:1])ccc1OCc1c(Cl)cccc1Cl
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1c(Cl)cccc1Cl Clc1cccc(Cl)c1C[*:1] COc1cc(/C=N/NC(=O)c2ccncc2)ccc1O[*:1]
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC[*:1]
O=C(OC1CCCC1)c1csc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(OC1CCCC1)c1csc(c1)[*:1]
O=C(OC1CCCC1)c1csc([N+](=O)[O-])c1 C1CCC(C1)[*:1] O=C(O[*:1])c1csc(c1)[N+](=O)[O-]
CC[C@H](CS)Cn1cnc2sccc2c1=O CC[C@H](CS)[*:1] O=c1c2ccsc2ncn1C[*:1]
Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 Cc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1
Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
ClCCc1nnc(-c2ccncc2Cl)o1 ClCC[*:1] Clc1cnccc1-c1nnc(o1)[*:1]
Cc1cccc(OC[C@@H](O)CNc2nnc(Cl)cc2C(N)=O)c1 NC(=O)[*:1] Cc1cccc(c1)OC[C@@H](O)CNc1nnc(Cl)cc1[*:1]
Cc1cccc(OC[C@@H](O)CNc2nnc(Cl)cc2C(N)=O)c1 Cc1cccc(c1)[*:1] NC(=O)c1cc(Cl)nnc1NC[C@H](O)CO[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)C1 CC(=O)N[*:1] C[C@@H](CNC(=O)N1CCC[C@H](C1)C[*:1])Oc1cccc(Cl)c1
CC(=O)NC[C@@H]1CCCN(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)C1 CC(=O)NC[*:1] C[C@@H](CNC(=O)N1CCC[C@H](C1)[*:1])Oc1cccc(Cl)c1
CC(=O)NC[C@@H]1CCCN(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)NC[C@H](C)O[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)C1 Clc1cccc(c1)O[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)NC[C@H](C)[*:1]
CCC(Nc1ccc(Br)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O Brc1ccc(cc1)[*:1] CCC(N[*:1])=C1C(=O)N(C)C(=O)N(C)C1=O
Cc1ccc([C@@H](NC(=O)Nc2nccs2)C(C)(C)C)o1 c1csc(n1)[*:1] Cc1ccc(o1)[C@@H](NC(=O)N[*:1])C(C)(C)C
Cc1ccc([C@@H](NC(=O)Nc2nccs2)C(C)(C)C)o1 CC(C)(C)[*:1] Cc1ccc(o1)[C@@H](NC(=O)Nc1nccs1)[*:1]
Cc1ccc([C@@H](NC(=O)Nc2nccs2)C(C)(C)C)o1 Cc1ccc(o1)[*:1] CC(C)(C)[C@H](NC(=O)Nc1nccs1)[*:1]
COc1ccc([C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@@H](C)[C@H](NC(=O)O[*:1])C(=O)[O-]
COc1ccc([C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)[*:1]
O=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N=C2N=C3CCCC([O-])=C3[C@H](c3cccnc3)[C@H]12 O=[N+]([O-])c1ccc(cc1)C[*:1] O=C1N=C(N=C2N=C3CCCC([O-])=C3[C@H](c3cccnc3)[C@H]12)S[*:1]
O=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N=C2N=C3CCCC([O-])=C3[C@H](c3cccnc3)[C@H]12 c1cncc(c1)[*:1] O=C1N=C(N=C2N=C3CCCC([O-])=C3[C@H]([C@H]12)[*:1])SCc1ccc(cc1)[N+](=O)[O-]
O=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N=C2N=C3CCCC([O-])=C3[C@H](c3cccnc3)[C@H]12 O=[N+]([O-])[*:1] O=C1N=C(N=C2N=C3CCCC([O-])=C3[C@H](c3cccnc3)[C@H]12)SCc1ccc(cc1)[*:1]
O=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N=C2N=C3CCCC([O-])=C3[C@H](c3cccnc3)[C@H]12 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1N=C(N=C2N=C3CCCC([O-])=C3[C@H](c3cccnc3)[C@H]12)SC[*:1]
CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CON(C)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 CON(C)S(=O)(=O)[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
CC(=O)N1CCc2[nH+]c([C@@H]3CCCCN3C(=O)c3scnc3C)nc(N(C)C)c2C1 Cc1ncsc1[*:1] CC(=O)N1CCc2[nH+]c(nc(c2C1)N(C)C)[C@@H]1CCCCN1C(=O)[*:1]
CC(=O)N1CCc2[nH+]c([C@@H]3CCCCN3C(=O)c3scnc3C)nc(N(C)C)c2C1 CN(C)[*:1] CC(=O)N1CCc2[nH+]c(nc(c2C1)[*:1])[C@@H]1CCCCN1C(=O)c1scnc1C
O=C1/C(=C/c2cccc(O)c2)NC(=S)N1C1CCCCC1 C1CCC(CC1)[*:1] O=C1/C(=C/c2cccc(O)c2)NC(=S)N1[*:1]
O=C1/C(=C/c2cccc(O)c2)NC(=S)N1C1CCCCC1 Oc1cccc(c1)[*:1] O=C1C(=C[*:1])NC(=S)N1C1CCCCC1
Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)N1CCCC1 Fc1cccc(c1)C[*:1] Cc1oc2ccn(c(=O)c2c1C(=O)N1CCCC1)[*:1]
Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1[*:1]
Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)N1CCCC1 Fc1cccc(c1)[*:1] Cc1oc2ccn(C[*:1])c(=O)c2c1C(=O)N1CCCC1
CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cccnc1 CC[C@H](C)[*:1] C[C@H]([NH2+]C[C@H](O)[*:1])c1cccnc1
CCc1ccc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 CCc1ccc(cc1)[*:1] C[C@@H](CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)N[*:1]
COC(C)(C)CNC(=O)NCc1ccccn1 COC(C)(C)[*:1] O=C(NCc1ccccn1)NC[*:1]
O=C(OCc1ccccc1)N1CCCC[C@H]1CCl c1ccc(cc1)[*:1] O=C(OC[*:1])N1CCCC[C@H]1CCl
CC(C)(NC(=O)c1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 FC(F)O[*:1] CC(C)(NC(=O)c1ccc(cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)(NC(=O)c1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 FC(F)[*:1] CC(C)(NC(=O)c1ccc(cc1)O[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)(NC(=O)c1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(NC(=O)c1ccc(cc1)OC(F)F)c1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NC[C@@H]1CCCN(C1)c1ncccn1
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 O=C(N[*:1])c1ccccc1 CC(C)[C@H](C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 CC(C)[*:1] O=C(N[C@H](C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1])c1ccccc1
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H]1CCCN(C1)[*:1]
CCOCCSc1nc([O-])c2cnn(CCO)c2n1 CCOCCS[*:1] [O-]c1nc(nc2c1cnn2CCO)[*:1]
CCOCCSc1nc([O-])c2cnn(CCO)c2n1 OCC[*:1] CCOCCSc1nc([O-])c2cnn(c2n1)[*:1]
CCOCCSc1nc([O-])c2cnn(CCO)c2n1 CCOC[*:1] [O-]c1nc(nc2c1cnn2CCO)SC[*:1]
CCOCCSc1nc([O-])c2cnn(CCO)c2n1 CCO[*:1] [O-]c1nc(nc2c1cnn2CCO)SCC[*:1]
CCOCCSc1nc([O-])c2cnn(CCO)c2n1 CCOCC[*:1] [O-]c1nc(nc2c1cnn2CCO)S[*:1]
CC(C)[C@H](C)S(=O)(=O)Cc1nnc(Cc2ccccc2)o1 CC(C)[*:1] C[C@H](S(=O)(=O)Cc1nnc(Cc2ccccc2)o1)[*:1]
CC(C)[C@H](C)S(=O)(=O)Cc1nnc(Cc2ccccc2)o1 c1ccc(cc1)C[*:1] CC(C)[C@H](C)S(=O)(=O)Cc1nnc(o1)[*:1]
CC(C)[C@H](C)S(=O)(=O)Cc1nnc(Cc2ccccc2)o1 c1ccc(cc1)[*:1] CC(C)[C@H](C)S(=O)(=O)Cc1nnc(C[*:1])o1
NC(=O)c1ncn2c(C(=O)NCC3CCC3)cc(-c3ccco3)nc12 NC(=O)[*:1] O=C(NCC1CCC1)c1cc(nc2c(ncn12)[*:1])-c1ccco1
NC(=O)c1ncn2c(C(=O)NCC3CCC3)cc(-c3ccco3)nc12 C1CC(C1)C[*:1] NC(=O)c1ncn2c(cc(nc12)-c1ccco1)C(=O)N[*:1]
NC(=O)c1ncn2c(C(=O)NCC3CCC3)cc(-c3ccco3)nc12 O=C(NCC1CCC1)[*:1] NC(=O)c1ncn2c(cc(nc12)-c1ccco1)[*:1]
NC(=O)c1ncn2c(C(=O)NCC3CCC3)cc(-c3ccco3)nc12 C1CC(C1)[*:1] NC(=O)c1ncn2c(cc(nc12)-c1ccco1)C(=O)NC[*:1]
NC(=O)c1ncn2c(C(=O)NCC3CCC3)cc(-c3ccco3)nc12 c1coc(c1)[*:1] NC(=O)c1ncn2c(cc(nc12)[*:1])C(=O)NCC1CCC1
COc1cccc(C(=O)N2CCN(C(=O)CCc3cccnc3)CC2)c1 c1cncc(c1)CC[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)CCc3cccnc3)CC2)c1 c1cncc(c1)[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)CC[*:1]
COc1cccc(C(=O)N2CCN(C(=O)CCc3cccnc3)CC2)c1 c1cncc(c1)C[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)C[*:1]
COc1cccc(C(=O)N2CCN(C(=O)CCc3cccnc3)CC2)c1 COc1cccc(c1)[*:1] O=C(CCc1cccnc1)N1CCN(CC1)C(=O)[*:1]
N#CC1=C(O)c2ccccc2N(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] N#CC1CCN(c2ccccc2C=1O)S(=O)(=O)[*:1]
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(Cc1ccccc1OC(C)C)c1ccc(Cl)cc12 CC(C)Oc1ccccc1[*:1] CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(C[*:1])c1ccc(Cl)cc12
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(Cc1ccccc1OC(C)C)c1ccc(Cl)cc12 CC(C)[*:1] CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(Cc1ccccc1O[*:1])c1ccc(Cl)cc12
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(Cc1ccccc1OC(C)C)c1ccc(Cl)cc12 CC(C)O[*:1] CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(Cc1ccccc1[*:1])c1ccc(Cl)cc12
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(Cc1ccccc1OC(C)C)c1ccc(Cl)cc12 CC(C)Oc1ccccc1C[*:1] CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(c1ccc(Cl)cc12)[*:1]
CCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C)c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] CCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C)[*:1]
O=C(C1CC1)N1CCn2nnc(-c3ccccc3)c2C1 c1ccc(cc1)[*:1] O=C(C1CC1)N1CCn2nnc(c2C1)[*:1]
O=C(C1CC1)N1CCn2nnc(-c3ccccc3)c2C1 C1CC1[*:1] O=C(N1CCn2nnc(-c3ccccc3)c2C1)[*:1]
c1cncc(Cc2nc(-c3cccc4[nH]ccc34)no2)c1 c1cncc(c1)C[*:1] c1cc(-c2noc(n2)[*:1])c2cc[nH]c2c1
c1cncc(Cc2nc(-c3cccc4[nH]ccc34)no2)c1 c1cncc(c1)[*:1] c1cc(-c2noc(C[*:1])n2)c2cc[nH]c2c1
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCC[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCCc1ccc(O)cc1 Clc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)C(=O)NCCc1ccc(O)cc1
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCCc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCCc1ccc(O)cc1 Clc1ccc(cc1)C[*:1] C[C@H](N(C)C(=O)NCCc1ccc(O)cc1)[*:1]
CCCNc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 CN(S(C)(=O)=O)[*:1] CCCNc1nc(cs1)-c1ccc(cc1)[*:1]
CCCNc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 CCCN[*:1] CN(c1ccc(cc1)-c1csc(n1)[*:1])S(C)(=O)=O
CCCNc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 CCC[*:1] CN(c1ccc(cc1)-c1csc(n1)N[*:1])S(C)(=O)=O
C[C@H](CCc1ccccc1)Nc1ccc(CO)cc1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])Nc1ccc(cc1)CO
CC[C@@H](Oc1ccccc1/C=C1/SC(=O)N(c2ccc(C)c(C)c2)C1=O)C(=O)[O-] Cc1ccc(cc1C)[*:1] CC[C@@H](Oc1ccccc1/C=C1/SC(=O)N(C1=O)[*:1])C(=O)[O-]
CC[C@@H](Oc1ccccc1/C=C1/SC(=O)N(c2ccc(C)c(C)c2)C1=O)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](Oc1ccccc1/C=C1/SC(=O)N(C1=O)c1ccc(C)c(C)c1)[*:1]
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1 Fc1cc(Br)ccc1[*:1] COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[*:1])cc1
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1 COc1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)OCC(=O)Nc1ccc(Br)cc1F
CN1c2ccccc2C(=O)N[C@@H]1c1cccs1 c1csc(c1)[*:1] CN1c2ccccc2C(=O)N[C@H]1[*:1]
CSC[C@@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 CSC[*:1] C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[*:1]
CSC[C@@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 CSC[C@@H](C)[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)NC[*:1]
Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)Nc1cccnc1 c1cncc(c1)[*:1] Cc1nc2cc(nn2c(C)c1CCC(=O)N[*:1])-c1cccc(F)c1
Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)Nc1cccnc1 O=C(Nc1cccnc1)[*:1] Cc1nc2cc(nn2c(C)c1CC[*:1])-c1cccc(F)c1
Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)Nc1cccnc1 Fc1cccc(c1)[*:1] Cc1nc2cc(nn2c(C)c1CCC(=O)Nc1cccnc1)[*:1]
C[NH+](CCCc1ccccc1)Cc1cccnc1 c1cncc(c1)[*:1] C[NH+](CCCc1ccccc1)C[*:1]
C[NH+](CCCc1ccccc1)Cc1cccnc1 c1ccc(cc1)[*:1] C[NH+](CCC[*:1])Cc1cccnc1
CNC(=O)c1cccc(C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)[*:1] CNC(=O)c1cccc(c1)C(=O)N1CC[C@@H](C1)OCC[*:1]
CNC(=O)c1cccc(C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)CC[*:1] CNC(=O)c1cccc(c1)C(=O)N1CC[C@@H](C1)O[*:1]
CNC(=O)c1cccc(C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)C[*:1] CNC(=O)c1cccc(c1)C(=O)N1CC[C@@H](C1)OC[*:1]
CNC(=O)c1cccc(C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)CCO[*:1] CNC(=O)c1cccc(c1)C(=O)N1CC[C@H](C1)[*:1]
CNC(=O)c1cccc(C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CNC(=O)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@H](C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)[*:1])c1ccccc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C([C@@H](Cc1ccccc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H](Cc1ccccc1)NC(=O)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
C[C@](O)(CC=O)C1(C[NH3+])CCCC1 O=CC[*:1] C[C@](O)(C1(C[NH3+])CCCC1)[*:1]
CCOC(=O)N1CCN(C(=O)c2cccc(-c3nnnn3C)c2)CC1 Cn1nnnc1[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
COc1ccccc1CCNC(=O)c1csc(C)c1-c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1CCNC(=O)c1csc(C)c1[*:1]
COc1ccccc1CCNC(=O)c1csc(C)c1-c1ccccc1 COc1ccccc1[*:1] Cc1scc(C(=O)NCC[*:1])c1-c1ccccc1
CCn1cc(NCc2c[nH+]cn2C2CC2)cn1 C1CC1[*:1] CCn1cc(cn1)NCc1c[nH+]cn1[*:1]
CCCOc1ncccc1CNC(=O)N1CCC[C@H](C)C1 CCC[*:1] C[C@H]1CCCN(C1)C(=O)NCc1cccnc1O[*:1]
CCCOc1ncccc1CNC(=O)N1CCC[C@H](C)C1 CCCO[*:1] C[C@H]1CCCN(C1)C(=O)NCc1cccnc1[*:1]
CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] CCCCNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 CCCCNC(=O)[*:1] O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](C1)[*:1]
CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 CCC[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Br)cc1
CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 CCCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Br)cc1
O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCCOCC1 C1CCN(CC1)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])N1CCCOCC1
C#CCN1CCN(C(=O)CNc2cccc([C@@H](C)OC)c2)CC1 CO[C@H](C)[*:1] C#CCN1CCN(CC1)C(=O)CNc1cccc(c1)[*:1]
C#CCN1CCN(C(=O)CNc2cccc([C@@H](C)OC)c2)CC1 C#CC[*:1] CO[C@H](C)c1cccc(c1)NCC(=O)N1CCN(CC1)[*:1]
Cc1csc(C(C)(C)NCC(=O)N[C@@H](c2ccccc2)C2CC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)C(C)(C)NCC(=O)N[C@@H](C1CC1)[*:1]
Cc1csc(C(C)(C)NCC(=O)N[C@@H](c2ccccc2)C2CC2)n1 Cc1csc(n1)[*:1] CC(C)(NCC(=O)N[C@@H](c1ccccc1)C1CC1)[*:1]
Cc1csc(C(C)(C)NCC(=O)N[C@@H](c2ccccc2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)C(C)(C)NCC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(C(=O)/C=C/c2cc(C)c(OCc3ccccn3)c(C)c2)o1 c1ccc(CO[*:1])nc1 Cc1ccc(o1)C(=O)/C=C/c1cc(C)c(c(C)c1)[*:1]
Cc1ccc(C(=O)/C=C/c2cc(C)c(OCc3ccccn3)c(C)c2)o1 c1ccc(nc1)[*:1] Cc1ccc(o1)C(=O)/C=C/c1cc(C)c(OC[*:1])c(C)c1
Cc1ccc(C(=O)/C=C/c2cc(C)c(OCc3ccccn3)c(C)c2)o1 c1ccc(C[*:1])nc1 Cc1ccc(o1)C(=O)/C=C/c1cc(C)c(O[*:1])c(C)c1
Cc1ccc(C(=O)/C=C/c2cc(C)c(OCc3ccccn3)c(C)c2)o1 Cc1ccc(o1)[*:1] Cc1cc(/C=C/C(=O)[*:1])cc(C)c1OCc1ccccn1
Cc1ccc(C(=O)/C=C/c2cc(C)c(OCc3ccccn3)c(C)c2)o1 Cc1ccc(o1)C(=O)[*:1] Cc1cc(C=C[*:1])cc(C)c1OCc1ccccn1
Cc1cc(Br)ccc1OCc1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] Cc1cc(Br)ccc1OCc1nc(no1)[*:1]
Cc1csc(CNC(=O)[C@@H]2C[C@H]2C)n1 C[C@@H]1C[C@H]1[*:1] Cc1csc(CNC(=O)[*:1])n1
COc1ccc(C2=NC(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)N2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC2(CC1)NC(=NC2=O)[*:1]
COc1ccc(C2=NC(=O)C3(CCN(C(=O)OC(C)(C)C)CC3)N2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)C1=NC(=O)C2(CCN(CC2)C(=O)O[*:1])N1
Cc1nc(Br)ccc1NC(=O)CCCn1ccnn1 c1cn(nn1)[*:1] Cc1nc(Br)ccc1NC(=O)CCC[*:1]
Cc1nc(Br)ccc1NC(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 Cc1nc(Br)ccc1NC(=O)CC[*:1]
COCCN1C[C@@H](C(=O)N(C)Cc2n[nH]c3c2CCCC3)CCC1=O COC[*:1] CN(Cc1n[nH]c2CCCCc12)C(=O)[C@H]1CCC(=O)N(C1)C[*:1]
COCCN1C[C@@H](C(=O)N(C)Cc2n[nH]c3c2CCCC3)CCC1=O COCC[*:1] CN(Cc1n[nH]c2CCCCc12)C(=O)[C@H]1CCC(=O)N(C1)[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)[C@H](C)CO1 O=C([O-])[*:1] C[C@@H]1CN([C@H](C)CO1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1cccs1 CC(C)[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@@H](c1cccs1)[*:1]
CC(C)[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)[*:1]
CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CCC2 CC(C)[*:1] C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCc2ccc(cc21)[*:1]
CC(C)[C@H]1CC[C@H](C)c2c(-c3ccc(Br)cc3)n[nH]c21 CC(C)[*:1] C[C@H]1CC[C@@H](c2[nH]nc(-c3ccc(Br)cc3)c21)[*:1]
C[C@H](c1nc2ccccc2s1)N1CC[NH+](Cn2ncn(C)c2=S)CC1 Cn1cnn(c1=S)[*:1] C[C@H](c1nc2ccccc2s1)N1CC[NH+](CC1)C[*:1]
CCCOc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1 CCCO[*:1] O=S(=O)(NCC1(O)CCCC1)c1ccc(cc1)[*:1]
CCCOc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1 CCC[*:1] O=S(=O)(NCC1(O)CCCC1)c1ccc(cc1)O[*:1]
CCCOc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1 OC1(CCCC1)[*:1] CCCOc1ccc(cc1)S(=O)(=O)NC[*:1]
CCCOc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1 OC1(CCCC1)C[*:1] CCCOc1ccc(cc1)S(=O)(=O)N[*:1]
COc1cccc(NC(=O)c2ccccc2Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)c1ccccc1C[*:1]
COc1cccc(NC(=O)c2ccccc2Cc2ccccc2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])c1ccccc1Cc1ccccc1
COc1cccc(NC(=O)c2ccccc2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)c1ccccc1[*:1]
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)n1nc(-n2cccn2)ccc1=O c1cnn(c1)[*:1] C[C@@H](C(=O)Nc1cccc(c1)[N+](=O)[O-])n1nc(ccc1=O)[*:1]
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)n1nc(-n2cccn2)ccc1=O O=[N+]([O-])[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])n1nc(ccc1=O)-n1cccn1
CCOc1ccccc1-c1cc(C(=O)[O-])c2cc(C)cc(C)c2n1 CCO[*:1] Cc1cc(C)c2nc(cc(C(=O)[O-])c2c1)-c1ccccc1[*:1]
CCOc1ccccc1-c1cc(C(=O)[O-])c2cc(C)cc(C)c2n1 O=C([O-])[*:1] CCOc1ccccc1-c1cc(c2cc(C)cc(C)c2n1)[*:1]
CCS[C@H]1CC[C@H](NC(=O)NCC2(O)CCSCC2)C1 CCS[*:1] O=C(NCC1(O)CCSCC1)N[C@H]1CC[C@@H](C1)[*:1]
Cc1nn2c(=O)c3c([nH]c2c1-c1ccccc1)CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C3 c1ccc(cc1)[*:1] Cc1nn2c(=O)c3CN(Cc3[nH]c2c1[*:1])C(=O)C[C@@H]1CCS(=O)(=O)C1
COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(NC(C)=O)cc3)[nH+]2)c1 COc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)CN1CCOC[C@H]1c1[nH]cc([nH+]1)[*:1]
COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(NC(C)=O)cc3)[nH+]2)c1 CC(=O)N[*:1] COc1cccc(c1)-c1c[nH]c([nH+]1)[C@@H]1COCCN1Cc1ccc(cc1)[*:1]
COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(NC(C)=O)cc3)[nH+]2)c1 CC(=O)Nc1ccc(cc1)[*:1] COc1cccc(c1)-c1c[nH]c([nH+]1)[C@@H]1COCCN1C[*:1]
CC[C@@H](CSC)N(C)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 CSC[*:1] CC[C@@H](N(C)C(=O)Nc1ccn(n1)[C@H](C)c1ccccc1)[*:1]
CC[C@@H](CSC)N(C)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@@H](CSC)N(C)C(=O)Nc1ccn(n1)[C@H](C)[*:1]
CC[C@@H](CSC)N(C)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 C[C@H](c1ccccc1)[*:1] CC[C@@H](CSC)N(C)C(=O)Nc1ccn(n1)[*:1]
COCCN(CC(C)C)C(=O)c1cc(C(C)(C)C)n[nH]1 CC(C)[*:1] COCCN(C[*:1])C(=O)c1cc(n[nH]1)C(C)(C)C
COCCN(CC(C)C)C(=O)c1cc(C(C)(C)C)n[nH]1 COC[*:1] CC(C)CN(C[*:1])C(=O)c1cc(n[nH]1)C(C)(C)C
COCCN(CC(C)C)C(=O)c1cc(C(C)(C)C)n[nH]1 CC(C)(C)[*:1] COCCN(CC(C)C)C(=O)c1cc(n[nH]1)[*:1]
COCCN(CC(C)C)C(=O)c1cc(C(C)(C)C)n[nH]1 CC(C)C[*:1] COCCN(C(=O)c1cc(n[nH]1)C(C)(C)C)[*:1]
COCCN(CC(C)C)C(=O)c1cc(C(C)(C)C)n[nH]1 COCC[*:1] CC(C)CN(C(=O)c1cc(n[nH]1)C(C)(C)C)[*:1]
Cc1ccccc1[C@H](C)NC(=O)NCc1ccccc1OC(F)(F)F FC(F)(F)O[*:1] Cc1ccccc1[C@H](C)NC(=O)NCc1ccccc1[*:1]
Cc1ccccc1[C@H](C)NC(=O)NCc1ccccc1OC(F)(F)F Cc1ccccc1[*:1] C[C@H](NC(=O)NCc1ccccc1OC(F)(F)F)[*:1]
Cc1ccccc1[C@H](C)NC(=O)NCc1ccccc1OC(F)(F)F FC(F)(F)[*:1] Cc1ccccc1[C@H](C)NC(=O)NCc1ccccc1O[*:1]
CN(C)c1ncccc1N(C)S(=O)(=O)/C=C/c1ccccc1Cl Clc1ccccc1[*:1] CN(C)c1ncccc1N(C)S(=O)(=O)C=C[*:1]
CN(C)c1ncccc1N(C)S(=O)(=O)/C=C/c1ccccc1Cl CN(C)[*:1] CN(c1cccnc1[*:1])S(=O)(=O)/C=C/c1ccccc1Cl
CNC(=O)c1ccc(N2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 CNC(=O)[*:1] O=[N+]([O-])c1cc(ccc1N1CC[C@H](CN2CCOCC2)C1)[*:1]
CNC(=O)c1ccc(N2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 C1CN(CCO1)[*:1] CNC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CC[C@@H](C1)C[*:1]
CNC(=O)c1ccc(N2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 C1CN(CCO1)C[*:1] CNC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CC[C@H](C1)[*:1]
CNC(=O)c1ccc(N2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(c(c1)[*:1])N1CC[C@H](CN2CCOCC2)C1
COc1ccc(C)cc1NC(=O)NCCc1nc2cccnc2n1C1CCCC1 C1CCC(C1)[*:1] COc1ccc(C)cc1NC(=O)NCCc1nc2cccnc2n1[*:1]
COc1ccc(C)cc1NC(=O)NCCc1nc2cccnc2n1C1CCCC1 COc1ccc(C)cc1[*:1] O=C(NCCc1nc2cccnc2n1C1CCCC1)N[*:1]
O=C(Cn1cccn1)Nc1ccc(NC(=O)c2ccccc2)nc1 c1ccc(cc1)[*:1] O=C(Cn1cccn1)Nc1ccc(nc1)NC(=O)[*:1]
O=C(Cn1cccn1)Nc1ccc(NC(=O)c2ccccc2)nc1 c1cnn(c1)C[*:1] O=C(Nc1ccc(cn1)NC(=O)[*:1])c1ccccc1
O=C(Cn1cccn1)Nc1ccc(NC(=O)c2ccccc2)nc1 c1cnn(c1)[*:1] O=C(C[*:1])Nc1ccc(nc1)NC(=O)c1ccccc1
COC(=O)c1ccc(CN(C)C(=O)Cc2cc(C)ccc2OC)cc1 COC(=O)[*:1] COc1ccc(C)cc1CC(=O)N(C)Cc1ccc(cc1)[*:1]
C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O FC(F)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)S[*:1])N1C(=O)[C@H]2CCCC[C@H]2C1=O
C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O FC(F)S[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])N1C(=O)[C@H]2CCCC[C@H]2C1=O
COc1ccc(NC(=O)Cc2cccc3ccccc23)cc1NS(=O)(=O)c1ccc(F)cc1 c1ccc2c(cccc2c1)C[*:1] COc1ccc(cc1NS(=O)(=O)c1ccc(F)cc1)NC(=O)[*:1]
COc1ccc(NC(=O)Cc2cccc3ccccc23)cc1NS(=O)(=O)c1ccc(F)cc1 O=S(=O)(N[*:1])c1ccc(F)cc1 COc1ccc(cc1[*:1])NC(=O)Cc1cccc2ccccc12
COc1ccc(NC(=O)Cc2cccc3ccccc23)cc1NS(=O)(=O)c1ccc(F)cc1 c1ccc2c(cccc2c1)[*:1] COc1ccc(cc1NS(=O)(=O)c1ccc(F)cc1)NC(=O)C[*:1]
COc1ccc(NC(=O)Cc2cccc3ccccc23)cc1NS(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1NS(=O)(=O)[*:1])NC(=O)Cc1cccc2ccccc12
C[C@@H](OC(=O)c1ccccc1O)C(=O)NCc1ccc(F)cc1 Oc1ccccc1[*:1] C[C@@H](OC(=O)[*:1])C(=O)NCc1ccc(F)cc1
C[C@@H](OC(=O)c1ccccc1O)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](OC(=O)c1ccccc1O)C(=O)NC[*:1]
O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1O FC(F)(F)[*:1] O=C(NNC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1[*:1])c1ccccc1O
O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1O FC(F)(F)c1ccccc1[*:1] O=C(NNC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1O
O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1O Oc1ccccc1[*:1] O=C(NNC(=O)[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F
CN(Cc1cc(Cl)cn1C)C(=O)C[C@@H](O)c1cccc(F)c1 Cn1cc(Cl)cc1[*:1] CN(C[*:1])C(=O)C[C@@H](O)c1cccc(F)c1
CN(Cc1cc(Cl)cn1C)C(=O)C[C@@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(Cc1cc(Cl)cn1C)C(=O)C[C@@H](O)[*:1]
COC(=O)CNC(=O)[C@]1(C)Sc2ccccc2N(C)C1=O COC(=O)C[*:1] CN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)N[*:1]
COC(=O)CNC(=O)[C@]1(C)Sc2ccccc2N(C)C1=O COC(=O)[*:1] CN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)NC[*:1]
CC1=NN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)[C@@](O)(C(F)(F)F)C1 c1ccc(cc1)[*:1] CC1C[C@@](O)(N(N=1)C(=O)[C@@H]1C[C@H]1[*:1])C(F)(F)F
CC1=NN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CC1C[C@](O)(N(N=1)C(=O)[C@@H]1C[C@@H]1c1ccccc1)[*:1]
CCC[C@@H](C)NC(=O)c1ccc(C#N)c(C)n1 CCC[*:1] Cc1nc(ccc1C#N)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)c1ccc(C#N)c(C)n1 CCC[C@@H](C)[*:1] Cc1nc(ccc1C#N)C(=O)N[*:1]
COc1cccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 COc1cccc(c1)[*:1] CN(C)N1C(N)=C(C#N)[C@H](C2C(=O)C[C@H](CC=21)c1ccccc1)[*:1]
COc1cccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1C(C#N)=C(N)N(C2C[C@H](CC(=O)C=21)[*:1])N(C)C
Cc1ccccc1NC(=O)Cn1c(-c2ccc(C(F)(F)F)cc2)nc(C)c(CCO)c1=O OCC[*:1] Cc1ccccc1NC(=O)Cn1c(nc(C)c(c1=O)[*:1])-c1ccc(cc1)C(F)(F)F
Cc1ccccc1NC(=O)Cn1c(-c2ccc(C(F)(F)F)cc2)nc(C)c(CCO)c1=O FC(F)(F)[*:1] Cc1ccccc1NC(=O)Cn1c(nc(C)c(CCO)c1=O)-c1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)Cn1c(-c2ccc(C(F)(F)F)cc2)nc(C)c(CCO)c1=O Cc1ccccc1NC(=O)[*:1] Cc1nc(-c2ccc(cc2)C(F)(F)F)n(C[*:1])c(=O)c1CCO
Cc1ccccc1NC(=O)Cn1c(-c2ccc(C(F)(F)F)cc2)nc(C)c(CCO)c1=O FC(F)(F)c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)Cn1c(nc(C)c(CCO)c1=O)[*:1]
Cc1ccccc1NC(=O)Cn1c(-c2ccc(C(F)(F)F)cc2)nc(C)c(CCO)c1=O Cc1ccccc1[*:1] Cc1nc(-c2ccc(cc2)C(F)(F)F)n(CC(=O)N[*:1])c(=O)c1CCO
CC(=O)N1CC[C@@H](C(=O)Nc2cnc(-c3ccccc3)s2)C1 c1ccc(cc1)[*:1] CC(=O)N1CC[C@H](C1)C(=O)Nc1cnc(s1)[*:1]
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CN1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-])N1CCN(CC1)[*:1]
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(c2ccccc2F)CC1 O=[N+]([O-])[*:1] O=C(CN1C(=O)c2ccc(cc2C1=O)[*:1])N1CCN(CC1)c1ccccc1F
CO[C@@]1(C)C[C@H](NC(=O)C2CCC2)C1(C)C C1CC(C1)[*:1] CO[C@@]1(C)C[C@H](NC(=O)[*:1])C1(C)C
CC(C)(C)[C@H]1N=N/C(=N\C(=O)c2ccccc2F)S1 CC(C)(C)[*:1] O=C(/N=C1\N=N[C@@H](S1)[*:1])c1ccccc1F
Cc1c(N)cccc1NC(=O)[C@H](C)S(=O)(=O)CC(C)C CC(C)[*:1] Cc1c(N)cccc1NC(=O)[C@H](C)S(=O)(=O)C[*:1]
Cc1c(N)cccc1NC(=O)[C@H](C)S(=O)(=O)CC(C)C CC(C)C[*:1] Cc1c(N)cccc1NC(=O)[C@H](C)S(=O)(=O)[*:1]
C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)[S@](C)=O C[S@](=O)[*:1] C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)[*:1]
CCOc1ccc(Nc2ncnc(N3CCc4ccccc4C3)c2N)cc1 CCOc1ccc(cc1)[*:1] Nc1c(ncnc1N1CCc2ccccc2C1)N[*:1]
CCOc1ccc(Nc2ncnc(N3CCc4ccccc4C3)c2N)cc1 CCO[*:1] Nc1c(ncnc1N1CCc2ccccc2C1)Nc1ccc(cc1)[*:1]
CS[C@H](C)C(=O)Oc1cc(Cl)ccc1Cl CS[C@H](C)[*:1] O=C(Oc1cc(Cl)ccc1Cl)[*:1]
CCOCCCC(=O)N[C@@H]1COC[C@H]1C(=O)[O-] CCOC[*:1] O=C(CC[*:1])N[C@@H]1COC[C@H]1C(=O)[O-]
CCOCCCC(=O)N[C@@H]1COC[C@H]1C(=O)[O-] CCO[*:1] O=C(CCC[*:1])N[C@@H]1COC[C@H]1C(=O)[O-]
CCOCCCC(=O)N[C@@H]1COC[C@H]1C(=O)[O-] CCOCC[*:1] O=C(C[*:1])N[C@@H]1COC[C@H]1C(=O)[O-]
CCOCCCC(=O)N[C@@H]1COC[C@H]1C(=O)[O-] O=C([O-])[*:1] CCOCCCC(=O)N[C@@H]1COC[C@@H]1[*:1]
C[C@@H](C#N)CN(c1nn2c(=O)ccnc2s1)C1CC1 C[C@@H](C#N)C[*:1] O=c1ccnc2sc(nn12)N(C1CC1)[*:1]
C[C@@H](C#N)CN(c1nn2c(=O)ccnc2s1)C1CC1 C1CC1[*:1] C[C@@H](C#N)CN(c1nn2c(=O)ccnc2s1)[*:1]
C[C@@H](C#N)CN(c1nn2c(=O)ccnc2s1)C1CC1 C[C@@H](C#N)[*:1] O=c1ccnc2sc(nn12)N(C[*:1])C1CC1
C=CCO[C@H](F)C(=O)OCC C=CC[*:1] CCOC(=O)[C@@H](F)O[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc2OCCCOc2c1)[*:1]
Cc1cc(C(=O)N(C)CCc2scnc2C)c(=O)[nH]c1C Cc1ncsc1[*:1] Cc1cc(C(=O)N(C)CC[*:1])c(=O)[nH]c1C
Cc1cc(C(=O)N(C)CCc2scnc2C)c(=O)[nH]c1C Cc1ncsc1C[*:1] Cc1cc(C(=O)N(C)C[*:1])c(=O)[nH]c1C
C/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1OC(F)F FC(F)[*:1] C/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(cc1O[*:1])OC(F)F
C/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1OC(F)F FC(F)O[*:1] C/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(cc1OC(F)F)[*:1]
C/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1OC(F)F c1ccc2[nH]c(nc2c1)[*:1] C/C(=N/N[*:1])c1ccc(cc1OC(F)F)OC(F)F
C/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1OC(F)F FC(F)[*:1] C/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(cc1OC(F)F)O[*:1]
C/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1OC(F)F FC(F)O[*:1] C/C(=N/Nc1nc2ccccc2[nH]1)c1ccc(cc1[*:1])OC(F)F
O=C1CC[C@@]2(CCCN(C(=O)c3cccc(O)c3)C2)CN1CCc1c[nH]c[nH+]1 Oc1cccc(c1)[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)[*:1])CN1CCc1c[nH]c[nH+]1
CNC(=O)[C@H]1C[C@H]1c1ccccc1 CNC(=O)[*:1] c1ccc(cc1)[C@@H]1C[C@@H]1[*:1]
CC[C@H]1CN(C(=O)CCC(=O)[O-])c2cc(Cl)ccc2O1 O=C([O-])[*:1] CC[C@H]1CN(C(=O)CC[*:1])c2cc(Cl)ccc2O1
CC[C@H]1CN(C(=O)CCC(=O)[O-])c2cc(Cl)ccc2O1 O=C([O-])C[*:1] CC[C@H]1CN(C(=O)C[*:1])c2cc(Cl)ccc2O1
CC[C@H]1CN(C(=O)CCC(=O)[O-])c2cc(Cl)ccc2O1 O=C([O-])CC[*:1] CC[C@H]1CN(C(=O)[*:1])c2cc(Cl)ccc2O1
Cn1ncnc1NC(=O)N1CCCN(c2nccs2)CC1 c1csc(n1)[*:1] Cn1ncnc1NC(=O)N1CCCN(CC1)[*:1]
Cn1ncnc1NC(=O)N1CCCN(c2nccs2)CC1 Cn1ncnc1[*:1] O=C(N[*:1])N1CCCN(CC1)c1nccs1
O=C(CCCC1CCCC1)Nc1ccc(Oc2ncccn2)cc1 C1CCC(C1)CC[*:1] O=C(C[*:1])Nc1ccc(cc1)Oc1ncccn1
O=C(CCCC1CCCC1)Nc1ccc(Oc2ncccn2)cc1 c1cnc(nc1)O[*:1] O=C(CCCC1CCCC1)Nc1ccc(cc1)[*:1]
O=C(CCCC1CCCC1)Nc1ccc(Oc2ncccn2)cc1 C1CCC(C1)C[*:1] O=C(CC[*:1])Nc1ccc(cc1)Oc1ncccn1
O=C(CCCC1CCCC1)Nc1ccc(Oc2ncccn2)cc1 C1CCC(C1)[*:1] O=C(CCC[*:1])Nc1ccc(cc1)Oc1ncccn1
O=C(CCCC1CCCC1)Nc1ccc(Oc2ncccn2)cc1 c1cnc(nc1)[*:1] O=C(CCCC1CCCC1)Nc1ccc(cc1)O[*:1]
O=C(CCCC1CCCC1)Nc1ccc(Oc2ncccn2)cc1 C1CCC(C1)CCC[*:1] O=C(Nc1ccc(cc1)Oc1ncccn1)[*:1]
O=C(CCCc1ccccn1)N[C@H]1CCCOc2c1ccc1ccccc21 c1ccc(C[*:1])nc1 O=C(CC[*:1])N[C@H]1CCCOc2c1ccc1ccccc21
O=C(CCCc1ccccn1)N[C@H]1CCCOc2c1ccc1ccccc21 c1ccc(CCC[*:1])nc1 O=C(N[C@H]1CCCOc2c1ccc1ccccc21)[*:1]
O=C(CCCc1ccccn1)N[C@H]1CCCOc2c1ccc1ccccc21 c1ccc(nc1)[*:1] O=C(CCC[*:1])N[C@H]1CCCOc2c1ccc1ccccc21
O=C(CCCc1ccccn1)N[C@H]1CCCOc2c1ccc1ccccc21 c1ccc(CC[*:1])nc1 O=C(C[*:1])N[C@H]1CCCOc2c1ccc1ccccc21
N#Cc1ccccc1CSc1nnc(Cn2cncn2)o1 c1ncn(C[*:1])n1 N#Cc1ccccc1CSc1nnc(o1)[*:1]
N#Cc1ccccc1CSc1nnc(Cn2cncn2)o1 c1ncn(n1)[*:1] N#Cc1ccccc1CSc1nnc(C[*:1])o1
Cc1ccc(CCN[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 c1ncn(n1)[*:1] Cc1ccc(cc1)CCN[C@@H](C)c1ccc(cc1)[*:1]
Cc1ccc(CCN[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NCC[*:1])c1ccc(cc1)-n1cncn1
COc1cc([C@H]([NH3+])CC(=O)[O-])c([N+](=O)[O-])cc1OC O=C([O-])[*:1] COc1cc(c(cc1OC)[N+](=O)[O-])[C@H]([NH3+])C[*:1]
COc1cc([C@H]([NH3+])CC(=O)[O-])c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(c(cc1OC)[*:1])[C@H]([NH3+])CC(=O)[O-]
C=CCn1c(CC)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 C=CC[*:1] CCc1nnc(SCC(=O)Nc2ccc3OCOc3c2)n1[*:1]
[NH3+]CCn1nc([C@@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)c2cccnc21 Clc1ccc(cc1)CC[*:1] [NH3+]CCn1nc(c2cccnc21)[C@@H]1CCN(C1)C(=O)[*:1]
[NH3+]CCn1nc([C@@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)c2cccnc21 Clc1ccc(cc1)[*:1] [NH3+]CCn1nc(c2cccnc21)[C@@H]1CCN(C1)C(=O)CC[*:1]
[NH3+]CCn1nc([C@@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)c2cccnc21 Clc1ccc(cc1)C[*:1] [NH3+]CCn1nc(c2cccnc21)[C@@H]1CCN(C1)C(=O)C[*:1]
CC[C@@H](CO)NC(=O)Nc1cccc(N(C)C(C)=O)c1 CC[C@@H](CO)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N[*:1]
CC[C@@H](CO)NC(=O)Nc1cccc(N(C)C(C)=O)c1 CC(=O)N(C)[*:1] CC[C@@H](CO)NC(=O)Nc1cccc(c1)[*:1]
COc1nc(N2CCCCCC2)nc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1 Cn1cc(cn1)[*:1] COc1nc(nc(n1)N1CC[C@H](C1)C[*:1])N1CCCCCC1
COc1nc(N2CCCCCC2)nc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1 C1CCCN(CC1)[*:1] COc1nc(nc(n1)[*:1])N1CC[C@@H](Cc2cnn(C)c2)C1
COc1nc(N2CCCCCC2)nc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1 Cn1cc(cn1)C[*:1] COc1nc(nc(n1)N1CC[C@@H](C1)[*:1])N1CCCCCC1
C[C@H]1CN(Cc2csc(NC(=O)Cc3noc4ccccc34)n2)C[C@@H](C)O1 c1ccc2c(noc2c1)[*:1] C[C@H]1CN(Cc2csc(n2)NC(=O)C[*:1])C[C@@H](C)O1
O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1cccc(Cl)c1 Fc1ccc(cc1)[*:1] O=C(NCCN1CCN(CC1)[*:1])C(=O)Nc1cccc(Cl)c1
O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCCN1CCN(CC1)c1ccc(F)cc1)C(=O)N[*:1]
Cc1cccc(C(N)=O)c1NCc1nc(CCc2ccccc2)no1 NC(=O)[*:1] Cc1cccc(c1NCc1nc(CCc2ccccc2)no1)[*:1]
Cc1cccc(C(N)=O)c1NCc1nc(CCc2ccccc2)no1 c1ccc(cc1)CC[*:1] Cc1cccc(C(N)=O)c1NCc1nc(no1)[*:1]
Cc1cccc(C(N)=O)c1NCc1nc(CCc2ccccc2)no1 c1ccc(cc1)C[*:1] Cc1cccc(C(N)=O)c1NCc1nc(C[*:1])no1
Cc1cccc(C(N)=O)c1NCc1nc(CCc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cccc(C(N)=O)c1NCc1nc(CC[*:1])no1
COc1ccc2c(C)c(CCC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)oc2c1 CC(C)[*:1] COc1ccc2c(C)c(CCC(=O)Nc3c(cccc3[*:1])C(C)C)c(=O)oc2c1
CC(C)n1ccc(CCNc2cc(C(N)=O)ccn2)n1 NC(=O)[*:1] CC(C)n1ccc(CCNc2cc(ccn2)[*:1])n1
CC(C)n1ccc(CCNc2cc(C(N)=O)ccn2)n1 CC(C)[*:1] NC(=O)c1ccnc(c1)NCCc1ccn(n1)[*:1]
NC(=O)CSc1ccccc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 NC(=O)CS[*:1] O=C(c1ccccc1[*:1])N1CCC[C@H]2CCCC[C@@H]21
NC(=O)CSc1ccccc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 NC(=O)C[*:1] O=C(c1ccccc1S[*:1])N1CCC[C@H]2CCCC[C@@H]21
NC(=O)CSc1ccccc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 NC(=O)[*:1] O=C(c1ccccc1SC[*:1])N1CCC[C@H]2CCCC[C@@H]21
CC[C@@H](C)C[C@H](C)N1CC(=O)NC1=O CC[C@@H](C)[*:1] C[C@@H](C[*:1])N1CC(=O)NC1=O
CC[C@@](C)(NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@](C)(NC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
CC[C@@](C)(NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccc1 C1CO[C@@H](C1)[*:1] CC[C@@](C)(NC(=O)c1cnc(s1)[*:1])c1ccccc1
CCN(CC(C)(C)O)C(=O)Cc1nc(CCl)cs1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)Cc1nc(cs1)CCl
CCN(CC(C)(C)O)C(=O)Cc1nc(CCl)cs1 CC(C)(O)C[*:1] CCN(C(=O)Cc1nc(cs1)CCl)[*:1]
Cc1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)SCC4)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc2c(=O)n3CCSc3nc2c1
Cc1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)SCC4)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc2c(=O)n3CCSc3nc2c1
CNC(=O)[C@@H](C)NC(=O)Nc1cccc([C@@H](C)SC)c1 CS[C@H](C)[*:1] CNC(=O)[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1cccc([C@@H](C)SC)c1 CNC(=O)[*:1] CS[C@H](C)c1cccc(c1)NC(=O)N[C@H](C)[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1cccc([C@@H](C)SC)c1 CNC(=O)[C@@H](C)[*:1] CS[C@H](C)c1cccc(c1)NC(=O)N[*:1]
COC(=O)c1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 COC(=O)[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])Nc1ccc(Br)cc1[*:1]
COC(=O)c1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC(=O)c1cc(Br)ccc1NC(=O)COc1ccc(cc1)[*:1]
COc1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)cc1F O=C1SCCN1[*:1] COc1ccc(cc1F)-c1csc(n1)NC(=O)CC[*:1]
COc1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)cc1F O=C1SCCN1CC[*:1] COc1ccc(cc1F)-c1csc(n1)NC(=O)[*:1]
COc1ccc(-c2csc(NC(=O)CCN3CCSC3=O)n2)cc1F O=C1SCCN1C[*:1] COc1ccc(cc1F)-c1csc(n1)NC(=O)C[*:1]
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)N[C@H]4CCS(=O)(=O)C4)c3)c(=O)c2c1 C=C(C)CO[*:1] Cc1nc2ccc(cc2c(=O)n1-c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)[*:1]
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)N[C@H]4CCS(=O)(=O)C4)c3)c(=O)c2c1 C=C(C)C[*:1] Cc1nc2ccc(cc2c(=O)n1-c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)O[*:1]
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)N[C@H]4CCS(=O)(=O)C4)c3)c(=O)c2c1 C=C(C)[*:1] Cc1nc2ccc(cc2c(=O)n1-c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)OC[*:1]
C=CCCCN(C)C(=O)N[C@H]1CCC[C@@H]([S@@](=O)CC)C1 C=CCC[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N(C)C[*:1]
C=CCCCN(C)C(=O)N[C@H]1CCC[C@@H]([S@@](=O)CC)C1 C=CC[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N(C)CC[*:1]
C=CCCCN(C)C(=O)N[C@H]1CCC[C@@H]([S@@](=O)CC)C1 C=CCCC[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N(C)[*:1]
C=CCCCN(C)C(=O)N[C@H]1CCC[C@@H]([S@@](=O)CC)C1 CC[S@](=O)[*:1] C=CCCCN(C)C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
O=c1[nH]cnc2sc3c(c12)CCN(Cc1ccccc1)C3 c1ccc(cc1)[*:1] O=c1[nH]cnc2sc3CN(CCc3c12)C[*:1]
O=c1[nH]cnc2sc3c(c12)CCN(Cc1ccccc1)C3 c1ccc(cc1)C[*:1] O=c1[nH]cnc2sc3CN(CCc3c12)[*:1]
CCOC(=O)[C@@](C)(NC1CC1)c1ccc(C)c(F)c1 CCOC(=O)[*:1] Cc1ccc(cc1F)[C@@](C)(NC1CC1)[*:1]
CCOC(=O)[C@@](C)(NC1CC1)c1ccc(C)c(F)c1 C1CC1[*:1] CCOC(=O)[C@@](C)(N[*:1])c1ccc(C)c(F)c1
CCOC(=O)[C@@](C)(NC1CC1)c1ccc(C)c(F)c1 C1CC1N[*:1] CCOC(=O)[C@@](C)(c1ccc(C)c(F)c1)[*:1]
CC1(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)Cc2ccccc2C1 C1CC1[*:1] CC1(CNC(=O)c2cccc(c2)S(=O)(=O)N[*:1])Cc2ccccc2C1
CC1(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)Cc2ccccc2C1 O=S(=O)(NC1CC1)[*:1] CC1(CNC(=O)c2cccc(c2)[*:1])Cc2ccccc2C1
CNC(=O)c1cccc(N[C@@H](C)c2c(C)noc2C)n1 CNC(=O)[*:1] Cc1noc(C)c1[C@H](C)Nc1cccc(n1)[*:1]
C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O Brc1cccc(c1)[*:1] C[C@]1(NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O)[*:1]
C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O Clc1cccc(Cl)c1[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cccc(Br)c1
CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 CC(C)n1nnnc1[*:1] O=C(Nc1ccc2OCOc2c1)c1cccc(c1)OC[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 CC(C)n1nnnc1C[*:1] O=C(Nc1ccc2OCOc2c1)c1cccc(c1)O[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 CC(C)[*:1] O=C(Nc1ccc2OCOc2c1)c1cccc(c1)OCc1nnnn1[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1[*:1] CC(C)n1nnnc1COc1cccc(c1)C(=O)N[*:1]
O=C(NCc1nnc2n1CCCCC2)C(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(NCc1nnc2CCCCCn21)C(=O)N[*:1]
Fc1ccccc1-n1ncc2c(C(F)(F)F)cc(-c3cccs3)nc21 FC(F)(F)[*:1] Fc1ccccc1-n1ncc2c(cc(nc21)-c1cccs1)[*:1]
Fc1ccccc1-n1ncc2c(C(F)(F)F)cc(-c3cccs3)nc21 c1csc(c1)[*:1] Fc1ccccc1-n1ncc2c(cc(nc21)[*:1])C(F)(F)F
Fc1ccccc1-n1ncc2c(C(F)(F)F)cc(-c3cccs3)nc21 Fc1ccccc1[*:1] FC(F)(F)c1cc(nc2c1cnn2[*:1])-c1cccs1
C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(cc1)[*:1]
O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](c4ccccc4)C[C@@H]32)C(=O)N1 O=[N+]([O-])[*:1] O=C1NC(=O)C2(Cc3cc(ccc3N3C[C@@H](C[C@@H]32)c2ccccc2)[*:1])C(=O)N1
O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](c4ccccc4)C[C@@H]32)C(=O)N1 c1ccc(cc1)[*:1] O=C1NC(=O)C2(Cc3cc(ccc3N3C[C@H](C[C@@H]32)[*:1])[N+](=O)[O-])C(=O)N1
CC(C)Cn1ccnc(Sc2nnc(Nc3cccc(F)c3)s2)c1=O CC(C)[*:1] O=c1c(nccn1C[*:1])Sc1nnc(Nc2cccc(F)c2)s1
CC(C)Cn1ccnc(Sc2nnc(Nc3cccc(F)c3)s2)c1=O CC(C)C[*:1] O=c1c(nccn1[*:1])Sc1nnc(Nc2cccc(F)c2)s1
CC(C)Cn1ccnc(Sc2nnc(Nc3cccc(F)c3)s2)c1=O Fc1cccc(c1)[*:1] CC(C)Cn1ccnc(Sc2nnc(N[*:1])s2)c1=O
CC(C)Cn1ccnc(Sc2nnc(Nc3cccc(F)c3)s2)c1=O Fc1cccc(c1)N[*:1] CC(C)Cn1ccnc(Sc2nnc(s2)[*:1])c1=O
Cc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)C2CCN(CC2)c2ccccc2[N+](=O)[O-])c(=O)n(n1C)[*:1]
Cc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(=O)n(-c2ccccc2)n1C O=[N+]([O-])[*:1] Cc1c(NC(=O)C2CCN(CC2)c2ccccc2[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(=O)n(-c2ccccc2)n1C O=[N+]([O-])c1ccccc1[*:1] Cc1c(NC(=O)C2CCN(CC2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(C)c(C)c(S(=O)(=O)NCC[C@@H](O)c2ccccc2)c(C)c1C O[C@@H](c1ccccc1)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NCC[*:1]
Cc1c(C)c(C)c(S(=O)(=O)NCC[C@@H](O)c2ccccc2)c(C)c1C c1ccc(cc1)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NCC[C@@H](O)[*:1]
Cc1ccc2oc(CCCC(=O)[O-])cc(=O)c2c1 O=C([O-])CCC[*:1] Cc1ccc2oc(cc(=O)c2c1)[*:1]
Cc1ccc2oc(CCCC(=O)[O-])cc(=O)c2c1 O=C([O-])C[*:1] Cc1ccc2oc(cc(=O)c2c1)CC[*:1]
Cc1ccc2oc(CCCC(=O)[O-])cc(=O)c2c1 O=C([O-])[*:1] Cc1ccc2oc(cc(=O)c2c1)CCC[*:1]
Cc1ccc2oc(CCCC(=O)[O-])cc(=O)c2c1 O=C([O-])CC[*:1] Cc1ccc2oc(cc(=O)c2c1)C[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](CCC(=O)c2ccccc2)C1 CS(=O)(=O)[*:1] O=C(CC[C@H]1CCC[C@H](C1)[*:1])c1ccccc1
CS(=O)(=O)[C@@H]1CCC[C@H](CCC(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](CCC(=O)[*:1])C1
CC(C)CN(C(=O)Nc1cc(C(F)(F)F)ccc1F)C1CC1 CC(C)[*:1] O=C(Nc1cc(ccc1F)C(F)(F)F)N(C[*:1])C1CC1
CC(C)CN(C(=O)Nc1cc(C(F)(F)F)ccc1F)C1CC1 FC(F)(F)[*:1] CC(C)CN(C(=O)Nc1cc(ccc1F)[*:1])C1CC1
CC(C)CN(C(=O)Nc1cc(C(F)(F)F)ccc1F)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)Nc1cc(ccc1F)C(F)(F)F)[*:1]
CC(C)CN(C(=O)Nc1cc(C(F)(F)F)ccc1F)C1CC1 CC(C)C[*:1] O=C(Nc1cc(ccc1F)C(F)(F)F)N(C1CC1)[*:1]
COC(=O)C(C)(C)CSC(C)(C)C COC(=O)[*:1] CC(C)(C)SCC(C)(C)[*:1]
COC(=O)C(C)(C)CSC(C)(C)C CC(C)(C)[*:1] COC(=O)C(C)(C)CS[*:1]
Cc1cccc(-n2ccnc2SCC(=O)Nc2cccnc2)c1C c1cncc(c1)[*:1] Cc1cccc(c1C)-n1ccnc1SCC(=O)N[*:1]
Cc1cccc(-n2ccnc2SCC(=O)Nc2cccnc2)c1C Cc1cccc(c1C)[*:1] O=C(CSc1nccn1[*:1])Nc1cccnc1
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)cc1 O=C(NCc1ccccc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)cc1 c1ccc(cc1)C[*:1] CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)cc1 CN(C)S(=O)(=O)[*:1] O=C(NCc1ccccc1)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@H]1Oc2ccc(NC(=O)Cc3csc(-n4cccc4)n3)cc2NC1=O c1ccn(c1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)Cc1csc(n1)[*:1]
COc1cc(/C=C/C(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)cc(OC)c1OC O=C(N[*:1])c1cnccn1 COc1cc(/C=C/C(=O)N2CCc3nc(sc3C2)[*:1])cc(OC)c1OC
COc1cc(/C=C/C(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)cc(OC)c1OC c1cnc(cn1)[*:1] COc1cc(/C=C/C(=O)N2CCc3nc(NC(=O)[*:1])sc3C2)cc(OC)c1OC
CCCc1cc2c(=O)n(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c(C)nc2s1 O=[N+]([O-])[*:1] CCCc1cc2c(=O)n(NC(=O)CCn3nc(C)c(c3C)[*:1])c(C)nc2s1
CCCc1cc2c(=O)n(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c(C)nc2s1 CCC[*:1] Cc1nn(CCC(=O)Nn2c(C)nc3sc(cc3c2=O)[*:1])c(C)c1[N+](=O)[O-]
CN(CC(=O)Nc1ccccc1Cl)C(=O)/C=C/c1cccc(Br)c1 Brc1cccc(c1)[*:1] CN(CC(=O)Nc1ccccc1Cl)C(=O)C=C[*:1]
CN(CC(=O)Nc1ccccc1Cl)C(=O)/C=C/c1cccc(Br)c1 Clc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)/C=C/c1cccc(Br)c1
CSCC(=O)NNC(=O)N[C@H]1CCc2cc(Cl)ccc21 CSC[*:1] O=C(NNC(=O)[*:1])N[C@H]1CCc2cc(Cl)ccc21
CC1=CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3ccccc3F)C(=O)[C@@H]2C1 Fc1ccccc1[*:1] CC1=CC[C@@H]2C(=O)N(C(=O)[C@@H]2C1)c1ccccc1OC(=O)[*:1]
Cc1noc2c1[C@H](c1ccc(Br)c(F)c1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 Oc1ccccc1[*:1] Cc1noc2NC3C[C@H](CC(=O)C=3[C@@H](c3ccc(Br)c(F)c3)c12)[*:1]
Cc1noc2c1[C@H](c1ccc(Br)c(F)c1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 Fc1cc(ccc1Br)[*:1] Cc1noc2NC3C[C@@H](CC(=O)C=3[C@@H](c12)[*:1])c1ccccc1O
Cc1c(Oc2ccccc2Br)cc(N)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1c(cc(N)cc1[*:1])Oc1ccccc1Br
CCOc1ccc(C(=O)N2CCC[C@H](O)C2)cc1 CCO[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H](O)C1
Nc1c(Cl)cc(-c2nn(C3CC[NH+](CCc4ccccc4)CC3)c(=O)o2)c2c1OCCO2 c1ccc(cc1)[*:1] Nc1c(Cl)cc(-c2nn(c(=O)o2)C2CC[NH+](CC2)CC[*:1])c2OCCOc12
Nc1c(Cl)cc(-c2nn(C3CC[NH+](CCc4ccccc4)CC3)c(=O)o2)c2c1OCCO2 c1ccc(cc1)CC[*:1] Nc1c(Cl)cc(-c2nn(c(=O)o2)C2CC[NH+](CC2)[*:1])c2OCCOc12
Nc1c(Cl)cc(-c2nn(C3CC[NH+](CCc4ccccc4)CC3)c(=O)o2)c2c1OCCO2 c1ccc(cc1)C[*:1] Nc1c(Cl)cc(-c2nn(c(=O)o2)C2CC[NH+](CC2)C[*:1])c2OCCOc12
C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)COC(=O)c1ccc(c(c1)[*:1])N1CCCCC1
C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 C1CCN(CC1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)COC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
COCc1c(C(=O)N2C[C@@H](C)CC[C@@H]2C)sc2cccc(F)c12 COC[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)c1sc2cccc(F)c2c1[*:1]
CC(=O)N(C)CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] CC(=O)N(C)CC(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CC(=O)N(C)CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] CC(=O)N(C)CC(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1
CC(=O)N(C)CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 CC(=O)N(C)[*:1] O=C(C[*:1])N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1
CC(=O)N(C)CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 CC(=O)N(C)C[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCCCC1 c1ccc(cc1)[*:1] COc1ccc(cc1C(=O)N1CCCCC1)S(=O)(=O)NC[*:1]
COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)NCc1ccccc1
COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCCCC1 c1ccc(cc1)C[*:1] COc1ccc(cc1C(=O)N1CCCCC1)S(=O)(=O)N[*:1]
C#CCOc1ccc(N(C)C(=O)c2cccc(F)c2Cl)cc1 C#CC[*:1] CN(C(=O)c1cccc(F)c1Cl)c1ccc(cc1)O[*:1]
C#CCOc1ccc(N(C)C(=O)c2cccc(F)c2Cl)cc1 C#CCO[*:1] CN(C(=O)c1cccc(F)c1Cl)c1ccc(cc1)[*:1]
CCN(CC)C(=O)C1CC[NH+](Cc2ccc(F)cc2OC(F)(F)F)CC1 FC(F)(F)O[*:1] CCN(CC)C(=O)C1CC[NH+](CC1)Cc1ccc(F)cc1[*:1]
CCN(CC)C(=O)C1CC[NH+](Cc2ccc(F)cc2OC(F)(F)F)CC1 CCN(CC)C(=O)[*:1] Fc1ccc(C[NH+]2CCC(CC2)[*:1])c(c1)OC(F)(F)F
CCN(CC)C(=O)C1CC[NH+](Cc2ccc(F)cc2OC(F)(F)F)CC1 FC(F)(F)[*:1] CCN(CC)C(=O)C1CC[NH+](CC1)Cc1ccc(F)cc1O[*:1]
COCCCC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C COCCCC[*:1] C[C@H]([NH2+][*:1])c1nc2ccc(Cl)cc2n1C
COCCCC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C COCC[*:1] C[C@H]([NH2+]CC[*:1])c1nc2ccc(Cl)cc2n1C
COCCCC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C COC[*:1] C[C@H]([NH2+]CCC[*:1])c1nc2ccc(Cl)cc2n1C
COCCCC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C COCCC[*:1] C[C@H]([NH2+]C[*:1])c1nc2ccc(Cl)cc2n1C
c1ccc(C2(C[C@H]3COc4ccccc43)C[NH2+]C2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)OC[C@@H]2CC1(C[NH2+]C1)[*:1]
CNC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2O1 O=[N+]([O-])[*:1] CNC(=O)[C@@H]1CN(C(=O)c2ccc(c(C)c2)[*:1])c2ccccc2O1
CNC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2O1 CNC(=O)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N1C[C@H](Oc2ccccc21)[*:1]
COc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)Nc1ccc(C)cc1Br Cc1ccc(c(Br)c1)[*:1] COc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)Nc1ccc(C)cc1Br COc1ccc(Cl)cc1[*:1] Cc1ccc(NC(=O)C[NH+](C)CC(=O)N[*:1])c(Br)c1
C/C=C(\C)C(=O)N1CC[C@H](c2ccc(OC)cc2)C1 CC=C(C)[*:1] COc1ccc(cc1)[C@H]1CCN(C1)C(=O)[*:1]
COCc1cc(NC(=O)C(=O)NCc2ccc(F)c(Cl)c2)ncn1 Fc1ccc(cc1Cl)[*:1] COCc1cc(ncn1)NC(=O)C(=O)NC[*:1]
COCc1cc(NC(=O)C(=O)NCc2ccc(F)c(Cl)c2)ncn1 COC[*:1] O=C(NCc1ccc(F)c(Cl)c1)C(=O)Nc1cc(ncn1)[*:1]
COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1OC COc1ccc(cc1OC)[*:1] O=C1NC2(CCCCC2)C(=O)N1CC(=O)N1CCC[C@@H]1[*:1]
O=[N+]([O-])c1ccc(C(F)(F)F)nc1Cl FC(F)(F)[*:1] O=[N+]([O-])c1ccc(nc1Cl)[*:1]
O=[N+]([O-])c1ccc(C(F)(F)F)nc1Cl O=[N+]([O-])[*:1] FC(F)(F)c1ccc(c(Cl)n1)[*:1]
CN(C1CCCC1)S(=O)(=O)N1CCC2(CCCCC2)CC1 C1CCC(C1)[*:1] CN(S(=O)(=O)N1CCC2(CCCCC2)CC1)[*:1]
NC(=O)[C@H]([NH2+]C1CC1)c1cccc(C2CC2)c1 C1CC1[*:1] NC(=O)[C@H]([NH2+][*:1])c1cccc(c1)C1CC1
NC(=O)[C@H]([NH2+]C1CC1)c1cccc(C2CC2)c1 C1CC1[*:1] NC(=O)[C@H]([NH2+]C1CC1)c1cccc(c1)[*:1]
NC(=O)[C@H]([NH2+]C1CC1)c1cccc(C2CC2)c1 NC(=O)[*:1] c1cc(cc(c1)[C@@H]([NH2+]C1CC1)[*:1])C1CC1
CC(=O)O[C@H]1[C@@H](C)[C@H]2CC[C@@]13CC=C(C)C[C@H]23 CC(=O)O[*:1] CC1=CC[C@]23CC[C@H]([C@H](C)[C@@H]2[*:1])[C@H]3C1
CCC[C@@]1(C)CCCN(C(=O)c2c(C)c3ccccc3oc2=O)C1 CCC[*:1] Cc1c(C(=O)N2CCC[C@](C)(C2)[*:1])c(=O)oc2ccccc12
COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Br)s1)CCC2 Brc1ccc(s1)[*:1] COc1ccc2CCC[C@@H]([NH2+]C[*:1])c2c1
CCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 Brc1ccc(cc1)[*:1] CCC(=O)Nc1cccc(c1)NC(=O)c1ccc(o1)[*:1]
CCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 CCC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(o1)-c1ccc(Br)cc1
CCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(C(=O)[O-])cc1F CCCNC(=O)[*:1] C[C@H](S(=O)(=O)c1ccc(cc1F)C(=O)[O-])[*:1]
CCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(C(=O)[O-])cc1F O=C([O-])[*:1] CCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(cc1F)[*:1]
CCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(C(=O)[O-])cc1F CCC[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)c1ccc(cc1F)C(=O)[O-]
CCc1cccc(C)c1NC(=O)CO/N=C/C(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CCc1cccc(C)c1NC(=O)CO/N=C/C(=O)N[*:1]
CCc1cccc(C)c1NC(=O)CO/N=C/C(=O)Nc1ccc(F)cc1F CCc1cccc(C)c1[*:1] O=C(/C=N/OCC(=O)N[*:1])Nc1ccc(F)cc1F
Cn1cc(C(=O)NO[C@H]2CCCCO2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)NO[C@H]2CCCCO2)c(n1)[*:1]
Cn1cc(C(=O)NO[C@H]2CCCCO2)c(C(C)(C)C)n1 C1CC[C@@H](OC1)[*:1] Cn1cc(C(=O)NO[*:1])c(n1)C(C)(C)C
O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(c1)S(=O)(=O)N[*:1]
O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)S(=O)(=O)Nc1ccc(F)cc1
O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 O=[N+]([O-])c1ccccc1[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)Nc1ccc(F)cc1
Cc1ccccc1[C@]1(CC(=O)N2CC[NH+](C3CCCC3)CC2)CC(=O)N(Cc2ccncc2)C1=O Cc1ccccc1[*:1] O=C(C[C@@]1(CC(=O)N(Cc2ccncc2)C1=O)[*:1])N1CC[NH+](CC1)C1CCCC1
Cc1ccccc1[C@]1(CC(=O)N2CC[NH+](C3CCCC3)CC2)CC(=O)N(Cc2ccncc2)C1=O c1cc(ccn1)C[*:1] Cc1ccccc1[C@]1(CC(=O)N2CC[NH+](CC2)C2CCCC2)CC(=O)N(C1=O)[*:1]
Cc1ccccc1[C@]1(CC(=O)N2CC[NH+](C3CCCC3)CC2)CC(=O)N(Cc2ccncc2)C1=O c1cc(ccn1)[*:1] Cc1ccccc1[C@]1(CC(=O)N2CC[NH+](CC2)C2CCCC2)CC(=O)N(C[*:1])C1=O
COc1ccc(CNc2nnc(C)c(C)c2C#N)c(OC(F)F)c1 FC(F)[*:1] COc1ccc(CNc2nnc(C)c(C)c2C#N)c(c1)O[*:1]
COc1ccc(CNc2nnc(C)c(C)c2C#N)c(OC(F)F)c1 FC(F)O[*:1] COc1ccc(CNc2nnc(C)c(C)c2C#N)c(c1)[*:1]
C[C@@H](NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)[*:1]
C[C@@H](NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)C1CC1 C[C@@H](C1CC1)[*:1] CN(CCN(C)C(=O)OC(C)(C)C)C(=O)N[*:1]
C[C@@H](NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)C1CC1 CC(C)(C)[*:1] C[C@@H](NC(=O)N(C)CCN(C)C(=O)O[*:1])C1CC1
CCS[C@H]1CC[C@]1([O-])CNC(=O)NCc1cn(C)nc1CC CCS[*:1] CCc1nn(C)cc1CNC(=O)NC[C@@]1([O-])CC[C@@H]1[*:1]
Cc1noc(CNC(=O)CCc2ccc(Br)c(C)c2)n1 Cc1noc(n1)[*:1] Cc1cc(ccc1Br)CCC(=O)NC[*:1]
COCC(=O)N1CCN(c2ccccc2C#N)CC1 COC[*:1] N#Cc1ccccc1N1CCN(CC1)C(=O)[*:1]
Cn1ccc(S(=O)(=O)N2[C@@H](C(=O)[O-])C[C@H]3CCCC[C@H]32)c1 O=C([O-])[*:1] Cn1ccc(c1)S(=O)(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1[*:1]
Cn1ccc(S(=O)(=O)N2[C@@H](C(=O)[O-])C[C@H]3CCCC[C@H]32)c1 Cn1ccc(c1)[*:1] O=C([O-])[C@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)[*:1]
Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1F Cc1cc(ccc1F)C[*:1] C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N[*:1]
Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1F FC(F)(F)[*:1] Cc1cc(ccc1F)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1[*:1]
Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1F Cc1cc(ccc1F)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC[*:1]
CC(C)CN1C[C@H](C[NH3+])OC1=O CC(C)C[*:1] [NH3+]C[C@H]1CN(C(=O)O1)[*:1]
CC(C)CN1C[C@H](C[NH3+])OC1=O CC(C)[*:1] [NH3+]C[C@H]1CN(C[*:1])C(=O)O1
COc1ccc(/C=N/NC(=O)C/N=c2\sc3ccccc3n2C)cc1 COc1ccc(cc1)[*:1] Cn1/c(=N/CC(=O)NN=C[*:1])sc2ccccc21
Cc1ccsc1[C@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O Cc1ccsc1[*:1] C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)[*:1]
O=[N+]([O-])c1ccc(Cl)nc1Sc1ccccn1 O=[N+]([O-])[*:1] Clc1ccc(c(n1)Sc1ccccn1)[*:1]
CCCCS[C@@H](C)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C CCC[*:1] Cc1cc(cc(NC(=O)[C@H](C)SC[*:1])c1C)S(N)(=O)=O
CCCCS[C@@H](C)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C CCCCS[C@@H](C)[*:1] Cc1cc(cc(NC(=O)[*:1])c1C)S(N)(=O)=O
CCCCS[C@@H](C)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C NS(=O)(=O)[*:1] CCCCS[C@@H](C)C(=O)Nc1cc(cc(C)c1C)[*:1]
CCCCS[C@@H](C)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C CCCCS[*:1] Cc1cc(cc(NC(=O)[C@H](C)[*:1])c1C)S(N)(=O)=O
CCCCS[C@@H](C)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C CCCC[*:1] Cc1cc(cc(NC(=O)[C@H](C)S[*:1])c1C)S(N)(=O)=O
C[C@H]1COC2(CCN(C(=O)NCC3(c4ccccc4)CCC3)CC2)O1 c1ccc(cc1)[*:1] C[C@H]1COC2(CCN(CC2)C(=O)NCC2(CCC2)[*:1])O1
COc1ccc([N+](=O)[O-])cc1CNc1cc(C(N)=O)c(F)cc1F O=[N+]([O-])[*:1] COc1ccc(cc1CNc1cc(C(N)=O)c(F)cc1F)[*:1]
COc1ccc([N+](=O)[O-])cc1CNc1cc(C(N)=O)c(F)cc1F NC(=O)[*:1] COc1ccc(cc1CNc1cc(c(F)cc1F)[*:1])[N+](=O)[O-]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 CC[S@](=O)[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])[C@@H]1C[C@@H]1c1ccc(Cl)cc1
Cc1ccc2c(c1)[C@@H]([NH2+]CCCc1cnn(C)c1)CCCO2 Cn1cc(cn1)[*:1] Cc1ccc2OCCC[C@H]([NH2+]CCC[*:1])c2c1
Cc1ccc2c(c1)[C@@H]([NH2+]CCCc1cnn(C)c1)CCCO2 Cn1cc(cn1)C[*:1] Cc1ccc2OCCC[C@H]([NH2+]CC[*:1])c2c1
COCC1(C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2C(C)C)CCC1 COCC1(CCC1)[*:1] CC(C)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
COCC1(C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2C(C)C)CCC1 COC[*:1] CC(C)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)C1(CCC1)[*:1]
COCC1(C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2C(C)C)CCC1 CC(C)[*:1] COCC1(CCC1)C(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1[*:1]
COC[C@H]1N=[NH+]C(N)=C1c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)C1=C(N)[NH+]=N[C@@H]1[*:1]
COc1cccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4)CC3)n2)c1 COc1cccc(c1)[*:1] O=c1cc(nc([nH]1)N1CCN(CC1)c1ccccc1)[*:1]
COc1cccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4)CC3)n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1cc(=O)[nH]c(n1)N1CCN(CC1)[*:1]
CCOCC1CCN(C(=O)c2cnc3c(C)cccn3c2=O)CC1 CCO[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N1CCC(CC1)C[*:1]
CCOCC1CCN(C(=O)c2cnc3c(C)cccn3c2=O)CC1 CCOC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(C(=O)NCC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)CNC(=O)[*:1])c1cc(F)ccc1N1CC[NH+](C)CC1
Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(ccc1OCC(=O)Nc1ccc(C)c(c1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(ccc1OCC(=O)Nc1ccc(C)c(c1)[N+](=O)[O-])[*:1]
C/C=C/c1cnc(-c2cccnc2)nc1C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 c1cncc(c1)[*:1] C/C=C/c1cnc(nc1C1CCN(CC1)C(=O)[C@H](C)Oc1ccccc1)[*:1]
C/C=C/c1cnc(-c2cccnc2)nc1C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 CC=C[*:1] C[C@H](Oc1ccccc1)C(=O)N1CCC(CC1)c1nc(ncc1[*:1])-c1cccnc1
C/C=C/c1cnc(-c2cccnc2)nc1C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 C[C@H](Oc1ccccc1)[*:1] C/C=C/c1cnc(nc1C1CCN(CC1)C(=O)[*:1])-c1cccnc1
C/C=C/c1cnc(-c2cccnc2)nc1C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 c1ccc(cc1)[*:1] C/C=C/c1cnc(nc1C1CCN(CC1)C(=O)[C@H](C)O[*:1])-c1cccnc1
C/C=C/c1cnc(-c2cccnc2)nc1C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 c1ccc(cc1)O[*:1] C/C=C/c1cnc(nc1C1CCN(CC1)C(=O)[C@H](C)[*:1])-c1cccnc1
CCc1cccc(C)c1NC(=O)Cc1cccc(OCc2cccnc2)c1 CCc1cccc(C)c1[*:1] O=C(Cc1cccc(c1)OCc1cccnc1)N[*:1]
CCc1cccc(C)c1NC(=O)Cc1cccc(OCc2cccnc2)c1 c1cncc(c1)CO[*:1] CCc1cccc(C)c1NC(=O)Cc1cccc(c1)[*:1]
CCc1cccc(C)c1NC(=O)Cc1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] CCc1cccc(C)c1NC(=O)Cc1cccc(c1)O[*:1]
CCc1cccc(C)c1NC(=O)Cc1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] CCc1cccc(C)c1NC(=O)Cc1cccc(c1)OC[*:1]
CC1(C)CN(C(=O)c2ccnc(Oc3ccccc3)c2)CCO1 c1ccc(cc1)O[*:1] CC1(C)CN(CCO1)C(=O)c1ccnc(c1)[*:1]
CC1(C)CN(C(=O)c2ccnc(Oc3ccccc3)c2)CCO1 c1ccc(cc1)[*:1] CC1(C)CN(CCO1)C(=O)c1ccnc(c1)O[*:1]
COc1ccc(NC(=O)c2sc3ncnc(N4CCCC[C@H]4C)c3c2C)cc1OC COc1ccc(cc1OC)[*:1] Cc1c(sc2ncnc(c12)N1CCCC[C@H]1C)C(=O)N[*:1]
Cc1ccc2nc(NC(=O)c3nc(S(C)(=O)=O)ncc3Br)sc2c1 CS(=O)(=O)[*:1] Cc1ccc2nc(NC(=O)c3nc(ncc3Br)[*:1])sc2c1
O=C(CSc1nccn1-c1cccc(Cl)c1)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(CSc1nccn1-c1cccc(Cl)c1)N[*:1]
O=C(CSc1nccn1-c1cccc(Cl)c1)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(CSc1nccn1-c1cccc(Cl)c1)NC[*:1]
O=C(CSc1nccn1-c1cccc(Cl)c1)NCc1ccccn1 Clc1cccc(c1)[*:1] O=C(CSc1nccn1[*:1])NCc1ccccn1
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 CC(C)(C)c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1nc(cs1)C[NH+]1CCCCC1
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 CC(C)(C)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])C(=O)Nc1nc(cs1)C[NH+]1CCCCC1
O[C@@H](CN1CCN(c2ccc(Cl)cn2)CC1)c1ccc(OC(F)F)cc1 Clc1ccc(nc1)[*:1] O[C@@H](CN1CCN(CC1)[*:1])c1ccc(cc1)OC(F)F
O[C@@H](CN1CCN(c2ccc(Cl)cn2)CC1)c1ccc(OC(F)F)cc1 FC(F)[*:1] O[C@@H](CN1CCN(CC1)c1ccc(Cl)cn1)c1ccc(cc1)O[*:1]
O[C@@H](CN1CCN(c2ccc(Cl)cn2)CC1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O[C@@H](CN1CCN(CC1)c1ccc(Cl)cn1)c1ccc(cc1)[*:1]
C=C(C)COc1ccc(NC(=O)C[C@H]2[NH2+]CCNC2=O)cc1 C=C(C)C[*:1] O=C(C[C@H]1[NH2+]CCNC1=O)Nc1ccc(cc1)O[*:1]
C=C(C)COc1ccc(NC(=O)C[C@H]2[NH2+]CCNC2=O)cc1 C=C(C)[*:1] O=C(C[C@H]1[NH2+]CCNC1=O)Nc1ccc(cc1)OC[*:1]
C=C(C)COc1ccc(NC(=O)C[C@H]2[NH2+]CCNC2=O)cc1 C=C(C)CO[*:1] O=C(C[C@H]1[NH2+]CCNC1=O)Nc1ccc(cc1)[*:1]
Cc1ccc(OCC(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c(C)c1 Cc1ccc(O[*:1])c(C)c1 Cc1nn(C(=O)C[*:1])c(C)c1S(=O)(=O)N1CCC(C)CC1
Cc1ccc(OCC(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nn(C(=O)CO[*:1])c(C)c1S(=O)(=O)N1CCC(C)CC1
N#Cc1ccnc(N2CC[NH+](CCc3ccccn3)CC2)c1 c1ccc(nc1)[*:1] N#Cc1ccnc(c1)N1CC[NH+](CC1)CC[*:1]
N#Cc1ccnc(N2CC[NH+](CCc3ccccn3)CC2)c1 c1ccc(C[*:1])nc1 N#Cc1ccnc(c1)N1CC[NH+](CC1)C[*:1]
Cn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)CCC(=O)NC[C@@H]1CCCO1)C2 O=C(N1CCOCC1)[*:1] Cn1nc(c2CN(CCc21)C(=O)CCC(=O)NC[C@@H]1CCCO1)[*:1]
Cc1ccc(CNC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)s1 Cc1ccc(s1)[*:1] O=C(NCc1cccc(c1)NC(=O)C1CCCC1)NC[*:1]
Cc1ccc(CNC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)s1 C1CCC(C1)[*:1] Cc1ccc(CNC(=O)NCc2cccc(c2)NC(=O)[*:1])s1
Cc1ccc(CNC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)s1 Cc1ccc(C[*:1])s1 O=C(NCc1cccc(c1)NC(=O)C1CCCC1)N[*:1]
Cc1ccc(CNC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)s1 O=C(N[*:1])C1CCCC1 Cc1ccc(CNC(=O)NCc2cccc(c2)[*:1])s1
Cc1nc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)sc1C c1cc(ccn1)C[*:1] Cc1nc(sc1C)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1nc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)sc1C Cc1nc(sc1C)[*:1] O=C(CCc1ccncc1)N1CCC[C@@H](C1)[*:1]
Cc1nc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)sc1C c1cc(ccn1)[*:1] Cc1nc(sc1C)[C@H]1CCCN(C1)C(=O)CC[*:1]
CC[C@H]([NH3+])[C@H](Sc1cccc(F)c1)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@H]([NH3+])[C@H](Sc1cccc(F)c1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 Cc1cccc(c1)O[*:1] C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)[*:1])c1ccccc1
Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)O[*:1])c1ccccc1
Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 Cc1cccc(c1)O[C@H](C)[*:1] C[C@H](NC(=O)c1ccccc1NC(=O)[*:1])c1ccccc1
Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 C[C@@H](c1ccccc1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1cc(C(=O)NCc2ccccn2)c2c(C)nn(C)c2n1 c1ccc(nc1)[*:1] Cc1cc(C(=O)NC[*:1])c2c(C)nn(C)c2n1
Cc1cc(C(=O)NCc2ccccn2)c2c(C)nn(C)c2n1 c1ccc(C[*:1])nc1 Cc1cc(C(=O)N[*:1])c2c(C)nn(C)c2n1
CCCC(=O)OC[C@H](O)CN1CCOCC1 CCC[*:1] O=C(OC[C@H](O)CN1CCOCC1)[*:1]
C=CCN1C(=O)N=C(O)C(/C(C)=N/CCC[NH+]2CCOCC2)C1=O C=CC[*:1] C/C(=N\CCC[NH+]1CCOCC1)C1C(=O)N(C(=O)N=C1O)[*:1]
CCCSc1ccc([N+](=O)[O-])c(NC(=O)CN2CCOC[C@H]2C)c1 C[C@@H]1COCCN1C[*:1] CCCSc1ccc(c(c1)NC(=O)[*:1])[N+](=O)[O-]
CCCSc1ccc([N+](=O)[O-])c(NC(=O)CN2CCOC[C@H]2C)c1 CCC[*:1] C[C@@H]1COCCN1CC(=O)Nc1cc(ccc1[N+](=O)[O-])S[*:1]
CCCSc1ccc([N+](=O)[O-])c(NC(=O)CN2CCOC[C@H]2C)c1 O=[N+]([O-])[*:1] CCCSc1ccc(c(c1)NC(=O)CN1CCOC[C@H]1C)[*:1]
CCCSc1ccc([N+](=O)[O-])c(NC(=O)CN2CCOC[C@H]2C)c1 CCCS[*:1] C[C@@H]1COCCN1CC(=O)Nc1cc(ccc1[N+](=O)[O-])[*:1]
CC(C)CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1cccn1 FC(F)(F)[*:1] CC(C)CS(=O)(=O)[N-]c1cc(ccc1-n1cccn1)[*:1]
CC(C)CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1cccn1 CC(C)C[*:1] O=S(=O)([N-]c1cc(ccc1-n1cccn1)C(F)(F)F)[*:1]
CC(C)CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1cccn1 CC(C)[*:1] O=S(=O)(C[*:1])[N-]c1cc(ccc1-n1cccn1)C(F)(F)F
CC(C)CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1cccn1 c1cnn(c1)[*:1] CC(C)CS(=O)(=O)[N-]c1cc(ccc1[*:1])C(F)(F)F
COc1ccccc1-c1cc(C(=O)Nc2cccc3nsnc23)[nH]n1 COc1ccccc1[*:1] O=C(Nc1cccc2nsnc12)c1cc(n[nH]1)[*:1]
COc1ccccc1[C@@]1(C)Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1ccccc1[C@@]1(C)Nc2ccccc2C(=O)N1C[*:1]
COc1ccccc1[C@@]1(C)Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 COc1ccccc1[*:1] C[C@]1(Nc2ccccc2C(=O)N1C[C@@H]1CCCO1)[*:1]
COc1ccccc1[C@@]1(C)Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] COc1ccccc1[C@@]1(C)Nc2ccccc2C(=O)N1[*:1]
COC(=O)[C@@]1(C#N)[C@@H]2C=CC(C(C)=O)=CN2[C@@H](CC(N)=O)[C@@H]1c1ccc(OC)cc1 NC(=O)C[*:1] COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@@H]([C@@H]1c1ccc(cc1)OC)[*:1])C(C)=O
COC(=O)[C@@]1(C#N)[C@@H]2C=CC(C(C)=O)=CN2[C@@H](CC(N)=O)[C@@H]1c1ccc(OC)cc1 CC(=O)[*:1] COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@@H](CC(N)=O)[C@@H]1c1ccc(cc1)OC)[*:1]
COC(=O)[C@@]1(C#N)[C@@H]2C=CC(C(C)=O)=CN2[C@@H](CC(N)=O)[C@@H]1c1ccc(OC)cc1 NC(=O)[*:1] COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@@H](C[*:1])[C@@H]1c1ccc(cc1)OC)C(C)=O
COC(=O)[C@@]1(C#N)[C@@H]2C=CC(C(C)=O)=CN2[C@@H](CC(N)=O)[C@@H]1c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@H]1[C@H](CC(N)=O)N2C=C(C=C[C@H]2[C@@]1(C#N)[*:1])C(C)=O
COC(=O)[C@@]1(C#N)[C@@H]2C=CC(C(C)=O)=CN2[C@@H](CC(N)=O)[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@@H](CC(N)=O)[C@H]1[*:1])C(C)=O
Cc1ccc(NC(=O)c2c([O-])n3c4c(cccc4c2=O)CCC3)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C(N[*:1])c1c([O-])n2CCCc3cccc(c1=O)c32
CC[C@H](C(=O)Nc1nc2c(s1)CCC2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1nc2CCCc2s1)[*:1]
Cc1cccc(NC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)c1C C1CC(CCO1)[*:1] Cc1cccc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])c1C
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@H](CO)C(=O)[O-] O=C([O-])[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N[C@H](CO)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@H](CO)C(=O)[O-] O=C([O-])[C@@H](CO)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N[*:1]
C[NH+](C)C1(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CCCC1 O=S(=O)(c1ccccc1)[*:1] C[NH+](C)C1(CCCC1)CNC(=O)c1cccc(c1)C[*:1]
C[NH+](C)C1(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CCCC1 c1ccc(cc1)[*:1] C[NH+](C)C1(CCCC1)CNC(=O)c1cccc(c1)CS(=O)(=O)[*:1]
NC(=O)c1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1 OCCN[*:1] NC(=O)c1ccc(cc1)Nc1nc(c2ccccc2n1)[*:1]
NC(=O)c1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1 NC(=O)[*:1] OCCNc1nc(nc2ccccc12)Nc1ccc(cc1)[*:1]
NC(=O)c1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1 OCC[*:1] NC(=O)c1ccc(cc1)Nc1nc(N[*:1])c2ccccc2n1
CCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C c1ccc(cc1)C[*:1] CCN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
CCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C c1ccc(cc1)[*:1] CCN1N=C(C)Cn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
Cc1cc(C)n2ncc(C(=O)N[C@@H]3CCCNC3=O)c2n1 O=C1NCCC[C@H]1[*:1] Cc1cc(C)n2ncc(C(=O)N[*:1])c2n1
CCOc1ccc([C@H](C)[NH3+])cc1CSc1ccncc1 CCO[*:1] C[C@H]([NH3+])c1ccc(c(c1)CSc1ccncc1)[*:1]
CCOc1ccc([C@H](C)[NH3+])cc1CSc1ccncc1 c1cc(ccn1)[*:1] CCOc1ccc(cc1CS[*:1])[C@H](C)[NH3+]
Cn1c(=O)oc2cc(Cl)c(C(=O)Nc3ccccc3)cc21 c1ccc(cc1)[*:1] Cn1c(=O)oc2cc(Cl)c(cc21)C(=O)N[*:1]
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NC(CO)(CO)CO OCC(CO)(CO)[*:1] O=C(c1ccccc1)c1ccc2[C@@H](CCn12)C(=O)N[*:1]
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NC(CO)(CO)CO c1ccc(cc1)[*:1] O=C(NC(CO)(CO)CO)[C@@H]1CCn2c(ccc21)C(=O)[*:1]
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NC(CO)(CO)CO O=C(c1ccccc1)[*:1] O=C(NC(CO)(CO)CO)[C@@H]1CCn2c1ccc2[*:1]
C/C=C(/C)C(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 C/C=C(/C)C(=O)N[*:1] C[C@H]1CN(Cc2ccccc2C[*:1])C[C@H](C)O1
C/C=C(/C)C(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 CC=C(C)[*:1] C[C@H]1CN(Cc2ccccc2CNC(=O)[*:1])C[C@H](C)O1
Cc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] C[NH+]1CCN(CC1)c1cc(ncn1)N1CCN(CC1)C(=O)N[*:1]
Brc1cccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 Brc1cccc(c1)[*:1] C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(CC1)C[*:1]
COc1ccc(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C1CN(C[C@H]2c3ccccc3CCN12)S(=O)(=O)[*:1]
Cc1ccc2c(c1)=C(CCNC(=S)Nc1ccccc1Cl)[C@H](C)[NH+]=2 Clc1ccccc1[*:1] Cc1ccc2=[NH+][C@@H](C)C(CCNC(=S)N[*:1])=c2c1
Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 Clc1ccccc1[*:1] Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)N[*:1])c(=O)[nH]c2c1
Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 c1cncc(c1)C[*:1] Cc1cc(C)c2cc(CN(C(=O)Nc3ccccc3Cl)[*:1])c(=O)[nH]c2c1
Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 c1cncc(c1)[*:1] Cc1cc(C)c2cc(CN(C[*:1])C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1
CC[C@@H](CS)CN1CC[NH+](C(C)(C)C)CC1 CC[C@@H](CS)[*:1] CC(C)(C)[NH+]1CCN(CC1)C[*:1]
CC[C@@H](CS)CN1CC[NH+](C(C)(C)C)CC1 CC(C)(C)[*:1] CC[C@@H](CS)CN1CC[NH+](CC1)[*:1]
CC(=O)N[C@H](C(=O)N1CCc2c(F)ccc(F)c2C1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@H](C(=O)N1CCc2c(F)ccc(F)c2C1)[*:1]
CC(=O)N[C@H](C(=O)N1CCc2c(F)ccc(F)c2C1)C1CCCC1 CC(=O)N[*:1] O=C([C@H](C1CCCC1)[*:1])N1CCc2c(F)ccc(F)c2C1
CCCC1=C(C(=O)OCC)[C@H](c2ccc(O)cc2)n2ncnc2N1 Oc1ccc(cc1)[*:1] CCCC1Nc2ncnn2[C@@H](C=1C(=O)OCC)[*:1]
CCCC1=C(C(=O)OCC)[C@H](c2ccc(O)cc2)n2ncnc2N1 CCC[*:1] CCOC(=O)C1=C(Nc2ncnn2[C@H]1c1ccc(O)cc1)[*:1]
CCCC1=C(C(=O)OCC)[C@H](c2ccc(O)cc2)n2ncnc2N1 CCOC(=O)[*:1] CCCC1Nc2ncnn2[C@H](C=1[*:1])c1ccc(O)cc1
CCCOc1ccc(Br)cc1C[NH+]1CCC(c2noc(C)n2)CC1 CCC[*:1] Cc1nc(no1)C1CC[NH+](CC1)Cc1cc(Br)ccc1O[*:1]
CCCOc1ccc(Br)cc1C[NH+]1CCC(c2noc(C)n2)CC1 Cc1nc(no1)[*:1] CCCOc1ccc(Br)cc1C[NH+]1CCC(CC1)[*:1]
CCCOc1ccc(Br)cc1C[NH+]1CCC(c2noc(C)n2)CC1 CCCO[*:1] Cc1nc(no1)C1CC[NH+](CC1)Cc1cc(Br)ccc1[*:1]
C=CC[NH+]1CCC(NC(=O)c2ncccc2OCC(F)(F)F)CC1 FC(F)(F)CO[*:1] C=CC[NH+]1CCC(CC1)NC(=O)c1ncccc1[*:1]
C=CC[NH+]1CCC(NC(=O)c2ncccc2OCC(F)(F)F)CC1 FC(F)(F)C[*:1] C=CC[NH+]1CCC(CC1)NC(=O)c1ncccc1O[*:1]
C=CC[NH+]1CCC(NC(=O)c2ncccc2OCC(F)(F)F)CC1 FC(F)(F)[*:1] C=CC[NH+]1CCC(CC1)NC(=O)c1ncccc1OC[*:1]
O=C(Nc1ccc(-c2ncon2)cc1)c1cccc(Br)n1 Brc1cccc(n1)[*:1] O=C(Nc1ccc(cc1)-c1ncon1)[*:1]
O=C(Nc1ccc(-c2ncon2)cc1)c1cccc(Br)n1 c1nc(no1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(Br)n1
Cc1cnc(CNC(=O)N2CCCN(C(=O)OCC(C)C)CC2)s1 Cc1cnc(s1)[*:1] CC(C)COC(=O)N1CCCN(CC1)C(=O)NC[*:1]
Cc1cnc(CNC(=O)N2CCCN(C(=O)OCC(C)C)CC2)s1 CC(C)C[*:1] Cc1cnc(CNC(=O)N2CCCN(CC2)C(=O)O[*:1])s1
Cc1cnc(CNC(=O)N2CCCN(C(=O)OCC(C)C)CC2)s1 Cc1cnc(C[*:1])s1 CC(C)COC(=O)N1CCCN(CC1)C(=O)N[*:1]
Cc1cnc(CNC(=O)N2CCCN(C(=O)OCC(C)C)CC2)s1 CC(C)[*:1] Cc1cnc(CNC(=O)N2CCCN(CC2)C(=O)OC[*:1])s1
COc1ccc(OC)c(NC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 COc1ccc(OC)c(c1)[*:1] O=C(N[*:1])N1CCC(CC1)NS(=O)(=O)c1ccc(Cl)cc1
COc1ccc(OC)c(NC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
O=C([O-])c1ccc(S(=O)(=O)[O-])cc1C(=O)[O-] O=C([O-])[*:1] O=C([O-])c1ccc(cc1[*:1])S(=O)(=O)[O-]
O=C([O-])c1ccc(S(=O)(=O)[O-])cc1C(=O)[O-] O=S(=O)([O-])[*:1] O=C([O-])c1ccc(cc1C(=O)[O-])[*:1]
O=C([O-])c1ccc(S(=O)(=O)[O-])cc1C(=O)[O-] O=C([O-])[*:1] O=C([O-])c1cc(ccc1[*:1])S(=O)(=O)[O-]
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccc(F)c(F)c1 CC[C@@H](C)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)Cc1ccc(F)c(F)c1
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccc(F)c(F)c1 CC[C@@H](C)NC(=O)[*:1] O=C(Cc1ccc(F)c(F)c1)N1CSC[C@@H]1[*:1]
O=C(N[C@H](C(=O)N/N=C/c1ccncc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1ccncc1)[C@@H](NC(=O)[*:1])c1n[nH]c(=O)c2ccccc12
O=C(N[C@H](C(=O)N/N=C/c1ccncc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 c1cc(ccn1)[*:1] O=C(N[C@H](C(=O)NN=C[*:1])c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C(N[C@H](C(=O)N/N=C/c1ccncc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(N/N=C/c1ccncc1)[C@H](c1n[nH]c(=O)c2ccccc12)[*:1]
CC(=O)c1cnn(-c2cc(Oc3ccccc3F)nc(C)n2)c1C Fc1ccccc1O[*:1] CC(=O)c1cnn(-c2cc(nc(C)n2)[*:1])c1C
CC(=O)c1cnn(-c2cc(Oc3ccccc3F)nc(C)n2)c1C Fc1ccccc1[*:1] CC(=O)c1cnn(-c2cc(nc(C)n2)O[*:1])c1C
CC(=O)c1cnn(-c2cc(Oc3ccccc3F)nc(C)n2)c1C CC(=O)[*:1] Cc1nc(cc(n1)-n1ncc(c1C)[*:1])Oc1ccccc1F
Cc1cc(C(=O)N2CC(C(=O)Nc3ccccc3C(C)C)C2)no1 Cc1cc(no1)[*:1] CC(C)c1ccccc1NC(=O)C1CN(C1)C(=O)[*:1]
Cc1cc(C(=O)N2CC(C(=O)Nc3ccccc3C(C)C)C2)no1 CC(C)[*:1] Cc1cc(no1)C(=O)N1CC(C1)C(=O)Nc1ccccc1[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 N#Cc1cccc(c1)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)S(=O)(=O)c1cccc(C#N)c1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 COC(=O)C(C)(C)[*:1] N#Cc1cccc(c1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
C#CCN(C)C(=O)C[C@@H]1c2nc(NCc3ccccc3)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO c1ccc(cc1)C[*:1] C#CCN(C)C(=O)C[C@@H]1c2nc(N[*:1])sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO
C#CCN(C)C(=O)C[C@@H]1c2nc(NCc3ccccc3)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO C#CCN(C)C(=O)[*:1] C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2C[*:1])NCc1ccccc1
C#CCN(C)C(=O)C[C@@H]1c2nc(NCc3ccccc3)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO c1ccc(cc1)CN[*:1] C#CCN(C)C(=O)C[C@@H]1c2nc(sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO)[*:1]
C#CCN(C)C(=O)C[C@@H]1c2nc(NCc3ccccc3)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO c1ccc(cc1)[*:1] C#CCN(C)C(=O)C[C@@H]1c2nc(NC[*:1])sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO
C#CCN(C)C(=O)C[C@@H]1c2nc(NCc3ccccc3)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO C#CCN(C)C(=O)C[*:1] C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2[*:1])NCc1ccccc1
C#CCN(C)C(=O)C[C@@H]1c2nc(NCc3ccccc3)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO C#CC[*:1] CN(C(=O)C[C@@H]1c2nc(NCc3ccccc3)sc2C[C@H]2[C@]1(C)CC[C@@H](O)[C@@]2(C)CO)[*:1]
CCc1nncn1CCNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 CCc1nncn1CC[*:1] CN1C(=O)C[C@@H](NC(=O)N[*:1])[C@@H]1c1ccc(Cl)cc1
CCc1nncn1CCNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 CCc1nncn1C[*:1] CN1C(=O)C[C@@H](NC(=O)NC[*:1])[C@@H]1c1ccc(Cl)cc1
CCc1nncn1CCNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nncn1CCNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1[*:1]
CCc1nncn1CCNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 CCc1nncn1[*:1] CN1C(=O)C[C@@H](NC(=O)NCC[*:1])[C@@H]1c1ccc(Cl)cc1
COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc2ccccc2c(=O)n1C)c1ccccc1 COc1ccc(C)cc1[*:1] Cn1c(nc2ccccc2c1=O)S[C@H](C(=O)N[*:1])c1ccccc1
COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc2ccccc2c(=O)n1C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc2ccccc2c(=O)n1C)[*:1]
COc1ccc(CCNC(=O)N2CCN(c3cnccn3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])N1CCN(CC1)c1cnccn1
COc1ccc(CCNC(=O)N2CCN(c3cnccn3)CC2)cc1 c1cnc(cn1)[*:1] COc1ccc(cc1)CCNC(=O)N1CCN(CC1)[*:1]
O=C(NCCCc1ccc(O)cc1)N[C@@H]1CCCC[C@@H]1CO Oc1ccc(cc1)[*:1] O=C(NCCC[*:1])N[C@@H]1CCCC[C@@H]1CO
CC(C)CSCC[C@H]1CCCC1=O CC(C)[*:1] O=C1CCC[C@@H]1CCSC[*:1]
CC(C)CSCC[C@H]1CCCC1=O CC(C)C[*:1] O=C1CCC[C@@H]1CCS[*:1]
Cc1ccc(N2C(=O)C(Cl)=C(N3CCN(C)CC3)C2=O)c(C)c1 CN1CCN(CC1)[*:1] Cc1ccc(c(C)c1)N1C(=O)C(Cl)=C(C1=O)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(OC(F)F)cc3)cc12 FC(F)O[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(OC(F)F)cc3)cc12 FC(F)[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)c1ccc(cc1)O[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(OC(F)F)cc3)cc12 COC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])c1ccc(cc1)OC(F)F
COc1ccc([C@H]2C[NH+]=C(N)N2C(C)C)c(OC)c1OC CC(C)[*:1] COc1ccc(c(OC)c1OC)[C@H]1C[NH+]=C(N)N1[*:1]
CC[C@H]1C(=O)NCCN1Cc1nc(-c2ccco2)oc1C c1coc(c1)[*:1] CC[C@H]1C(=O)NCCN1Cc1nc(oc1C)[*:1]
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(cc1)NS(=O)(=O)[*:1])N1CCc2ccccc21
CC[C@@H]([NH3+])c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)CO2 O=C(N1CCOCC1)[*:1] CC[C@@H]([NH3+])c1ccc2OCC(=O)N(C[*:1])c2c1
C[C@@](NC(=O)CN1CSCC1=O)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@](NC(=O)CN1CSCC1=O)(C(=O)[O-])[*:1]
C[C@@](NC(=O)CN1CSCC1=O)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@](NC(=O)CN1CSCC1=O)(C(F)(F)F)[*:1]
C[C@@](NC(=O)CN1CSCC1=O)(C(=O)[O-])C(F)(F)F O=C1CSCN1[*:1] C[C@@](NC(=O)C[*:1])(C(=O)[O-])C(F)(F)F
Cn1c([C@H]2C(c3ccccc3)=NCN2CCc2c[nH]c[nH+]2)cc2ccccc21 c1ccc(cc1)[*:1] Cn1c(cc2ccccc21)[C@H]1C(=NCN1CCc1c[nH]c[nH+]1)[*:1]
CC(=O)NC(C)(C)c1noc(-c2ccc3c(c2)CCN3C(C)=O)n1 CC(=O)N[*:1] CC(=O)N1CCc2cc(ccc21)-c1nc(no1)C(C)(C)[*:1]
CC(=O)NC(C)(C)c1noc(-c2ccc3c(c2)CCN3C(C)=O)n1 CC(=O)NC(C)(C)[*:1] CC(=O)N1CCc2cc(ccc21)-c1nc(no1)[*:1]
CCc1cc(=O)n2nc([C@H]3CCCN(C(=O)c4cncc(N)c4)C3)cc2[nH]1 Nc1cncc(c1)[*:1] CCc1cc(=O)n2nc(cc2[nH]1)[C@H]1CCCN(C1)C(=O)[*:1]
C#CCN1CCN(Cn2nc(C3CC3)n(Cc3ccccc3)c2=S)CC1 c1ccc(cc1)[*:1] C#CCN1CCN(CC1)Cn1nc(C2CC2)n(C[*:1])c1=S
C#CCN1CCN(Cn2nc(C3CC3)n(Cc3ccccc3)c2=S)CC1 C#CC[*:1] S=c1n(CN2CCN(CC2)[*:1])nc(C2CC2)n1Cc1ccccc1
C#CCN1CCN(Cn2nc(C3CC3)n(Cc3ccccc3)c2=S)CC1 c1ccc(cc1)C[*:1] C#CCN1CCN(CC1)Cn1nc(C2CC2)n(c1=S)[*:1]
C#CCN1CCN(Cn2nc(C3CC3)n(Cc3ccccc3)c2=S)CC1 C1CC1[*:1] C#CCN1CCN(CC1)Cn1nc(n(Cc2ccccc2)c1=S)[*:1]
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)CCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)CC[*:1]
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccon1)c1ccccc1Cl c1cc(no1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1ccccc1Cl
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccon1)c1ccccc1Cl Clc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccon1)[*:1]
CC[C@H](C)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 CC[C@H](C)[*:1] N#Cc1ccc(cc1)NC(=O)N[C@H](C(=O)Nc1nnc(s1)-c1ccc(Cl)cc1)[*:1]
CC[C@H](C)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1nnc(s1)[*:1]
CC[C@H](C)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 N#Cc1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)N[*:1])C(=O)Nc1nnc(s1)-c1ccc(Cl)cc1
Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N1C[C@H](C)C[C@@H](C)C1
OCc1ccc(-c2cc([C@@H]3CCN(CC4=CC=C[C@H]5N=CC=C45)C3)ccn2)cc1 OCc1ccc(cc1)[*:1] C1=C[C@H]2N=CC=C2C(=C1)CN1CC[C@H](C1)c1ccnc(c1)[*:1]
O=C(N[C@H](Cc1ccccc1)C(=O)/N=C1/NCCS1)c1ccco1 c1coc(c1)[*:1] O=C(/N=C1/NCCS1)[C@@H](Cc1ccccc1)NC(=O)[*:1]
O=C(N[C@H](Cc1ccccc1)C(=O)/N=C1/NCCS1)c1ccco1 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C(=O)/N=C1/NCCS1)c1ccco1
O=C(N[C@H](Cc1ccccc1)C(=O)/N=C1/NCCS1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(/N=C1/NCCS1)[C@@H](Cc1ccccc1)[*:1]
O=C(N[C@H](Cc1ccccc1)C(=O)/N=C1/NCCS1)c1ccco1 c1ccc(cc1)C[*:1] O=C(N[C@H](C(=O)/N=C1/NCCS1)[*:1])c1ccco1
CC(C)Oc1ccc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)NC(=O)C1CC1)Nc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 C1CC1[*:1] CC(C)Oc1ccc(cc1)NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CC(C)Oc1ccc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 CC(C)O[*:1] O=C(Cc1ccc(cc1)NC(=O)C1CC1)Nc1ccc(cc1)[*:1]
CC(C)Oc1ccc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 O=C(N[*:1])C1CC1 CC(C)Oc1ccc(cc1)NC(=O)Cc1ccc(cc1)[*:1]
CCN(c1ccccc1)c1nc[nH+]c(Nc2cc(Cl)c(OC)cc2OC)c1N c1ccc(cc1)[*:1] CCN(c1nc[nH+]c(Nc2cc(Cl)c(cc2OC)OC)c1N)[*:1]
CCN(c1ccccc1)c1nc[nH+]c(Nc2cc(Cl)c(OC)cc2OC)c1N CCN(c1ccccc1)[*:1] COc1cc(OC)c(cc1Cl)Nc1[nH+]cnc(c1N)[*:1]
Cn1nc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)ccc1=O Cn1nc(ccc1=O)[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2s1)[*:1]
O=C(CCc1c[nH]c2ccccc12)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(C[*:1])N1CCC(CC1)c1nc(no1)-c1ccc(Cl)cc1
O=C(CCc1c[nH]c2ccccc12)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CC[*:1])N1CCC(CC1)c1nc(no1)-c1ccc(Cl)cc1
O=C(CCc1c[nH]c2ccccc12)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 Clc1ccc(cc1)[*:1] O=C(CCc1c[nH]c2ccccc12)N1CCC(CC1)c1nc(no1)[*:1]
NC(=O)NCCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 NC(=O)N[*:1] O=C(CC[*:1])N[C@H]1CCC[C@H](C1)C(F)(F)F
NC(=O)NCCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 NC(=O)NC[*:1] O=C(C[*:1])N[C@H]1CCC[C@H](C1)C(F)(F)F
NC(=O)NCCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 NC(=O)NCC[*:1] O=C(N[C@H]1CCC[C@H](C1)C(F)(F)F)[*:1]
NC(=O)NCCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] NC(=O)NCCC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
C=C(C)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@H](C)C3 C=C(C)[*:1] C[C@H]1CCc2c(C1)sc1c2-c2ncnn2-c2nnc(SC[*:1])n2-1
C=C(C)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@H](C)C3 C=C(C)CS[*:1] C[C@H]1CCc2c(C1)sc1c2-c2ncnn2-c2nnc(n2-1)[*:1]
C=C(C)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@H](C)C3 C=C(C)C[*:1] C[C@H]1CCc2c(C1)sc1c2-c2ncnn2-c2nnc(S[*:1])n2-1
COc1ccc(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 Fc1ccc(cc1Cl)[*:1] COc1ccc(cc1)C(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
COc1ccc(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 COc1ccc(cc1)[*:1] O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1)[*:1]
COc1cccc(C2=NN=C3C(=O)N[C@H](c4ccc(C)cc4)[C@@H]32)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)[C@H]1NC(=O)C2=NN=C([C@H]21)[*:1]
COc1cccc(C2=NN=C3C(=O)N[C@H](c4ccc(C)cc4)[C@@H]32)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)C1=NN=C2C(=O)N[C@H]([C@@H]21)[*:1]
O=C(NCCc1ccncc1)C(F)(F)F FC(F)(F)[*:1] O=C(NCCc1ccncc1)[*:1]
COc1ccc([C@@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)cc1 c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1)[C@@H]1N=C(NC2CC(C)(C)CC(=O)C=21)N[*:1]
COc1ccc([C@@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)cc1 COc1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)NC(=N[C@H]2[*:1])Nc1nc2ccccc2s1
C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)[*:1]
C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C1CC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Cc1ccc(cc1)[*:1])C1CC1
COC(=O)[C@@H](C)NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 COC(=O)[*:1] C[C@@H](NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)[*:1]
Cc1n[nH]c(-c2cccc(CNc3ccc4cc([N+](=O)[O-])ccc4n3)c2)n1 Cc1n[nH]c(n1)[*:1] O=[N+]([O-])c1ccc2nc(ccc2c1)NCc1cccc(c1)[*:1]
Cc1n[nH]c(-c2cccc(CNc3ccc4cc([N+](=O)[O-])ccc4n3)c2)n1 O=[N+]([O-])[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNc1ccc2cc(ccc2n1)[*:1]
COc1ccc2c(c1)C1=NN[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]1CC2 O=[N+]([O-])[*:1] COc1ccc2CC[C@H]3C(=NN[C@H]3c3cccc(c3)[*:1])c2c1
O=C([O-])[C@@H]1CC[C@@H](CN2C(=O)CC3(CCCC3)CC2=O)O1 O=C([O-])[*:1] O=C1CC2(CCCC2)CC(=O)N1C[C@@H]1CC[C@H](O1)[*:1]
Cc1ccc(NC(=O)Cn2cc[nH+]c2)c(OCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)Cn2cc[nH+]c2)c(c1)OC[*:1]
Cc1ccc(NC(=O)Cn2cc[nH+]c2)c(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] Cc1ccc(NC(=O)Cn2cc[nH+]c2)c(c1)[*:1]
Cc1ccc(NC(=O)Cn2cc[nH+]c2)c(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)Cn2cc[nH+]c2)c(c1)O[*:1]
CO[C@H]1CCCN(C(=O)N[C@H](C)CCS(C)(=O)=O)C1 CS(=O)(=O)[*:1] CO[C@H]1CCCN(C1)C(=O)N[C@H](C)CC[*:1]
CO[C@H]1CCCN(C(=O)N[C@H](C)CCS(C)(=O)=O)C1 CS(=O)(=O)C[*:1] CO[C@H]1CCCN(C1)C(=O)N[C@H](C)C[*:1]
CO[C@H]1CCCN(C(=O)N[C@H](C)CCS(C)(=O)=O)C1 CS(=O)(=O)CC[*:1] CO[C@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
Cc1cc(C(=O)N2CCN(Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)on1 Cc1cc(on1)[*:1] C[C@H]1C[C@H]1c1ccc(CN2CCN(CC2)C(=O)[*:1])o1
COc1ccc(CCNC(=O)/C=C/c2ccccc2F)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)CCNC(=O)C=C[*:1]
O=C1CCCN1c1ccc(OS(=O)(=O)c2ccccc2Cl)cc1 O=C1CCCN1[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccccc1Cl
O=C1CCCN1c1ccc(OS(=O)(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] O=C1CCCN1c1ccc(cc1)OS(=O)(=O)[*:1]
Cc1nc(NCc2c[nH]nc2-c2ccccc2)sc1-c1ccn(C[C@@H]2COc3ccccc3O2)n1 c1ccc(cc1)-c1n[nH]cc1[*:1] Cc1nc(NC[*:1])sc1-c1ccn(C[C@@H]2COc3ccccc3O2)n1
Cc1nc(NCc2c[nH]nc2-c2ccccc2)sc1-c1ccn(C[C@@H]2COc3ccccc3O2)n1 c1ccc(cc1)[*:1] Cc1nc(NCc2c[nH]nc2[*:1])sc1-c1ccn(C[C@@H]2COc3ccccc3O2)n1
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CC(N)=O)CC1 NC(=O)[*:1] C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CC1)C[*:1]
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CC(N)=O)CC1 NC(=O)C[*:1] C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CC1)[*:1]
c1ccc([C@@]2(c3ccccc3OCn3nnc4ccccc43)CO2)cc1 c1ccc(cc1)[*:1] c1ccc(c(c1)OCn1nnc2ccccc21)[C@]1(CO1)[*:1]
Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H](C)C3)cn2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc(nc1)[*:1]
Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H](C)C3)cn2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc(nc1)O[*:1]
O=C(CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CCS(=O)(=O)c1cc2OCC(=O)Nc2cc1Cl)NC[*:1]
O=C(CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C1COc2cc(c(Cl)cc2N1)S(=O)(=O)CCC(=O)N[*:1]
O=C(NCCc1nc(C(F)(F)F)cs1)N[C@H](CO)c1ccco1 FC(F)(F)[*:1] O=C(NCCc1nc(cs1)[*:1])N[C@H](CO)c1ccco1
O=C(NCCc1nc(C(F)(F)F)cs1)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(NCCc1nc(cs1)C(F)(F)F)N[C@H](CO)[*:1]
CCc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCc1ccc(CNC(=O)C(=O)N[*:1])s1
CCc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2)s1 CCc1ccc(s1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(Cl)cc1
COc1cc(NC(=O)Cn2c(C)nc(-c3ccccn3)cc2=O)cc(OC)c1OC c1ccc(nc1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)Cn1c(C)nc(cc1=O)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc(N3CCOCC3)c(F)c2)C1 C1CN(CCO1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1ccc(c(F)c1)[*:1]
COc1ccc([C@@H]2[C@@H](/C([O-])=N/c3ncn[nH]3)CCC(=O)N2c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)CC[C@H](/C([O-])=N/c2ncn[nH]2)[C@H]1[*:1]
COc1ccc([C@@H]2[C@@H](/C([O-])=N/c3ncn[nH]3)CCC(=O)N2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1[C@H](CCC(=O)N1[*:1])/C([O-])=N/c1ncn[nH]1
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)no1 FC(F)(F)O[*:1] Cc1cc(no1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(cc2)[*:1])[C@@H]3C1=O
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)no1 Cc1cc(no1)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)no1 FC(F)(F)[*:1] Cc1cc(no1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(cc2)O[*:1])[C@@H]3C1=O
C[C@H](NC(=O)NCC(C)(C)c1ccc2c(c1)OCO2)C1CC1 C[C@H](C1CC1)[*:1] CC(C)(CNC(=O)N[*:1])c1ccc2OCOc2c1
C[C@H](NC(=O)NCC(C)(C)c1ccc2c(c1)OCO2)C1CC1 C1CC1[*:1] C[C@H](NC(=O)NCC(C)(C)c1ccc2OCOc2c1)[*:1]
C[C@H](Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)C(=O)NC(N)=O c1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2ccccc2Cl)n1C[*:1])C(=O)NC(N)=O
C[C@H](Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)C(=O)NC(N)=O Clc1ccccc1[*:1] C[C@H](Sc1nnc(n1Cc1ccccc1)[*:1])C(=O)NC(N)=O
C[C@H](Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@H](Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)[*:1]
C[C@H](Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)C(=O)NC(N)=O c1ccc(cc1)C[*:1] C[C@H](Sc1nnc(-c2ccccc2Cl)n1[*:1])C(=O)NC(N)=O
N#CC1=C(N)N(N)C(=O)[C@H]([n+]2cccc(C(=O)[O-])c2)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] N#CC1=C(N)N(N)C(=O)[C@@H]([C@@H]1[*:1])[n+]1cccc(c1)C(=O)[O-]
N#CC1=C(N)N(N)C(=O)[C@H]([n+]2cccc(C(=O)[O-])c2)[C@H]1c1cccc(F)c1 O=C([O-])[*:1] N#CC1=C(N)N(N)C(=O)[C@@H]([C@H]1c1cccc(F)c1)[n+]1cccc(c1)[*:1]
CN(C)c1nc(N)nc(COc2c(Cl)cccc2Cl)n1 CN(C)[*:1] Nc1nc(COc2c(Cl)cccc2Cl)nc(n1)[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 FC(F)(F)C[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 Cc1cccc(c1)[*:1] O=C1C[C@@H](CN1CC(F)(F)F)C(=O)N1CCC[C@H]1[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 FC(F)(F)[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CCN(CC)C(=O)c1ccc(N[C@H]2CCN(C(C)C)C2=O)cc1Cl CCN(CC)C(=O)[*:1] CC(C)N1CC[C@H](Nc2ccc(c(Cl)c2)[*:1])C1=O
CCN(CC)C(=O)c1ccc(N[C@H]2CCN(C(C)C)C2=O)cc1Cl CC(C)[*:1] CCN(CC)C(=O)c1ccc(cc1Cl)N[C@H]1CCN(C1=O)[*:1]
C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1Sc1ncccc1Cl Clc1cccnc1[*:1] C[NH2+][C@H]1c2cc(ccc2C[C@H]1S[*:1])OC
CCCNC(=O)N(CC)CCc1ccccc1 CCC[*:1] CCN(CCc1ccccc1)C(=O)N[*:1]
COCCOc1cccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 COCC[*:1] O=C(Nc1cccc(c1)O[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
COCCOc1cccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 COCCO[*:1] O=C(Nc1cccc(c1)[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
COCCOc1cccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 COC[*:1] O=C(Nc1cccc(c1)OC[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
CC1(NC(=O)NCCC(=O)N2CCCC2)Cc2ccccc2C1 O=C(N1CCCC1)[*:1] CC1(Cc2ccccc2C1)NC(=O)NCC[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NCC(=O)N[C@@H](C)[*:1])NC(=O)C1CC1
Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@@H](C)c1ccccc1 O=C(N[*:1])C1CC1 Cc1ccc(cc1NCC(=O)N[C@@H](C)c1ccccc1)[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1NCC(=O)N[*:1])NC(=O)C1CC1
Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N[C@@H](C)c1ccccc1 C1CC1[*:1] Cc1ccc(cc1NCC(=O)N[C@@H](C)c1ccccc1)NC(=O)[*:1]
CSCC[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2ccccc2[nH]1 CSCC[*:1] O=C(N[C@@H](c1nc2ccccc2[nH]1)[*:1])C1=Cc2cc(Cl)ccc2OC1
CSCC[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CSCC[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)[*:1]
CSCC[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2ccccc2[nH]1 CSC[*:1] O=C(N[C@H](C[*:1])c1nc2ccccc2[nH]1)C1=Cc2cc(Cl)ccc2OC1
CCOc1ccc2c(C(=O)NCCc3nc4ccccc4n3C)cc(=O)oc2c1 CCO[*:1] Cn1c(CCNC(=O)c2cc(=O)oc3cc(ccc23)[*:1])nc2ccccc21
COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)ccc2C)c1 COc1ccccc1C[*:1] Cc1ccc(C)c(c1)NC(=O)c1cc(ccc1F)S(=O)(=O)N[*:1]
COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)ccc2C)c1 Cc1ccc(C)c(c1)[*:1] COc1ccccc1CNS(=O)(=O)c1ccc(F)c(c1)C(=O)N[*:1]
COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)ccc2C)c1 COc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)c1cc(ccc1F)S(=O)(=O)NC[*:1]
CCN1CC(=O)Nc2cc(C(=O)NCc3ccccc3)ccc21 c1ccc(cc1)C[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[*:1]
CCN1CC(=O)Nc2cc(C(=O)NCc3ccccc3)ccc21 c1ccc(cc1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)NC[*:1]
CCC[NH2+]Cc1ccc(O[C@@H](C)C(=O)NC(N)=O)cc1 NC(=O)NC(=O)[*:1] CCC[NH2+]Cc1ccc(cc1)O[C@@H](C)[*:1]
CCC[NH2+]Cc1ccc(O[C@@H](C)C(=O)NC(N)=O)cc1 CCC[*:1] C[C@H](Oc1ccc(cc1)C[NH2+][*:1])C(=O)NC(N)=O
Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccco1)c1csc(n1)N[*:1]
Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)Nc1nc(cs1)C(=O)NC[*:1]
Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)Nc1nc(cs1)C(=O)N[*:1]
CCOC(=O)CCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)CCC(=O)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
CCOC(=O)CCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 CCOC(=O)C[*:1] O=C(C[*:1])N1CCN(CC1)c1ncnc2c1nnn2-c1ccccc1
CCOC(=O)CCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 CCOC(=O)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ncnc2c1nnn2-c1ccccc1
CCOC(=O)CCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 CCOC(=O)CC[*:1] O=C(N1CCN(CC1)c1ncnc2c1nnn2-c1ccccc1)[*:1]
Cc1cc(C)nc(SCC(=O)N2CCC[C@H](C(=O)[O-])C2)n1 O=C([O-])[*:1] Cc1cc(C)nc(n1)SCC(=O)N1CCC[C@H](C1)[*:1]
C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)[*:1]
C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)c1cccc(Br)c1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)c1ccccc1[*:1])c1cccc(Br)c1
CCO[C@@H](C)c1nc(CN2CC[NH+](C3CCSCC3)CC2)cs1 CCO[*:1] C[C@@H](c1nc(cs1)CN1CC[NH+](CC1)C1CCSCC1)[*:1]
CCO[C@@H](C)c1nc(CN2CC[NH+](C3CCSCC3)CC2)cs1 CCO[C@@H](C)[*:1] c1sc(nc1CN1CC[NH+](CC1)C1CCSCC1)[*:1]
CCO[C@@H](C)c1nc(CN2CC[NH+](C3CCSCC3)CC2)cs1 C1CC(CCS1)[*:1] CCO[C@@H](C)c1nc(cs1)CN1CC[NH+](CC1)[*:1]
CC(C)NC(=O)CCNC(=O)N(Cc1cccc(F)c1)C1CC1 CC(C)NC(=O)[*:1] O=C(NCC[*:1])N(Cc1cccc(F)c1)C1CC1
CC(C)NC(=O)CCNC(=O)N(Cc1cccc(F)c1)C1CC1 C1CC1[*:1] CC(C)NC(=O)CCNC(=O)N(Cc1cccc(F)c1)[*:1]
CC(C)NC(=O)CCNC(=O)N(Cc1cccc(F)c1)C1CC1 CC(C)[*:1] O=C(CCNC(=O)N(Cc1cccc(F)c1)C1CC1)N[*:1]
CC(C)NC(=O)CCNC(=O)N(Cc1cccc(F)c1)C1CC1 Fc1cccc(c1)[*:1] CC(C)NC(=O)CCNC(=O)N(C[*:1])C1CC1
CC(C)NC(=O)CCNC(=O)N(Cc1cccc(F)c1)C1CC1 CC(C)NC(=O)C[*:1] O=C(NC[*:1])N(Cc1cccc(F)c1)C1CC1
COCCCCCNC(=O)[C@@H]1SCCc2ccccc21 COCCCC[*:1] O=C(NC[*:1])[C@@H]1SCCc2ccccc21
COCCCCCNC(=O)[C@@H]1SCCc2ccccc21 COCC[*:1] O=C(NCCC[*:1])[C@@H]1SCCc2ccccc21
COCCCCCNC(=O)[C@@H]1SCCc2ccccc21 COC[*:1] O=C(NCCCC[*:1])[C@@H]1SCCc2ccccc21
COCCCCCNC(=O)[C@@H]1SCCc2ccccc21 COCCC[*:1] O=C(NCC[*:1])[C@@H]1SCCc2ccccc21
CC(C)Oc1cccc(-c2ccc(F)c(C[NH3+])c2)c1 CC(C)O[*:1] [NH3+]Cc1cc(ccc1F)-c1cccc(c1)[*:1]
CC(C)Oc1cccc(-c2ccc(F)c(C[NH3+])c2)c1 CC(C)[*:1] [NH3+]Cc1cc(ccc1F)-c1cccc(c1)O[*:1]
CCCCSCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] CCC[*:1] Cc1sc(NC(=O)CSC[*:1])c(C(=O)[O-])c1C
CCCCSCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] O=C([O-])[*:1] CCCCSCC(=O)Nc1sc(C)c(C)c1[*:1]
CCCCSCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] CCCCSC[*:1] Cc1sc(NC(=O)[*:1])c(C(=O)[O-])c1C
CCCCSCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] CCCCS[*:1] Cc1sc(NC(=O)C[*:1])c(C(=O)[O-])c1C
CCCCSCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] CCCC[*:1] Cc1sc(NC(=O)CS[*:1])c(C(=O)[O-])c1C
C[C@H](O)CCNC(=O)N[C@@H](C)C(=O)N1CCCCC1 C[C@H](O)CC[*:1] C[C@H](NC(=O)N[*:1])C(=O)N1CCCCC1
C[C@H](O)CCNC(=O)N[C@@H](C)C(=O)N1CCCCC1 C[C@H](O)C[*:1] C[C@H](NC(=O)NC[*:1])C(=O)N1CCCCC1
C[C@H](O)CCNC(=O)N[C@@H](C)C(=O)N1CCCCC1 C[C@H](O)[*:1] C[C@H](NC(=O)NCC[*:1])C(=O)N1CCCCC1
CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(O)c2)c1 CC(=O)N[*:1] O=C(/C=C/c1cccc(O)c1)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(O)c2)c1 Oc1cccc(c1)[*:1] CC(=O)Nc1cccc(c1)C(=O)C=C[*:1]
Cc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)Nc1cccc(c1)C[NH2+]C[*:1]
Cc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C[NH2+]Cc1cccc(c1)NC(=O)[*:1]
Cc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)Nc1cccc(c1)C[NH2+][*:1]
O=C(NCc1cc[nH]n1)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] O=C(NCc1cc[nH]n1)c1csc(n1)[*:1]
O=C(NCc1cc[nH]n1)c1csc(-c2cccs2)n1 c1cc(n[nH]1)[*:1] O=C(NC[*:1])c1csc(n1)-c1cccs1
O=C(NCc1cc[nH]n1)c1csc(-c2cccs2)n1 c1cc(C[*:1])n[nH]1 O=C(N[*:1])c1csc(n1)-c1cccs1
CCCNC(=O)NC1CCN(c2nc(C)cc(C)n2)CC1 CCC[*:1] Cc1cc(C)nc(n1)N1CCC(CC1)NC(=O)N[*:1]
CCCNC(=O)NC1CCN(c2nc(C)cc(C)n2)CC1 CCCNC(=O)N[*:1] Cc1cc(C)nc(n1)N1CCC(CC1)[*:1]
CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 Fc1ccc(cc1)C[*:1] CC(=O)N[C@H](C(=O)NC1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)[*:1]
CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc2cc(ccc2c1)[*:1] CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 Fc1ccc(cc1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)NC1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 CC(=O)N[*:1] O=C(NC1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)[C@@H](Cc1ccc(F)cc1)[*:1]
CCn1cnnc1SCC(=O)Nc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] CCn1cnnc1SCC(=O)Nc1ccc(cc1)C[*:1]
CCn1cnnc1SCC(=O)Nc1ccc(CN2CCOCC2)cc1 CCn1cnnc1[*:1] O=C(CS[*:1])Nc1ccc(cc1)CN1CCOCC1
CCn1cnnc1SCC(=O)Nc1ccc(CN2CCOCC2)cc1 CCn1cnnc1S[*:1] O=C(C[*:1])Nc1ccc(cc1)CN1CCOCC1
CCn1cnnc1SCC(=O)Nc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CCn1cnnc1SCC(=O)Nc1ccc(cc1)[*:1]
CCCc1c(C[NH2+]CC(C)C)cnn1[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCc1c(cnn1[*:1])C[NH2+]CC(C)C
CCCc1c(C[NH2+]CC(C)C)cnn1[C@@H]1CCS(=O)(=O)C1 CC(C)C[*:1] CCCc1c(cnn1[C@@H]1CCS(=O)(=O)C1)C[NH2+][*:1]
CCCc1c(C[NH2+]CC(C)C)cnn1[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] CCCc1c(cnn1[C@@H]1CCS(=O)(=O)C1)C[NH2+]C[*:1]
CCCc1c(C[NH2+]CC(C)C)cnn1[C@@H]1CCS(=O)(=O)C1 CCC[*:1] CC(C)C[NH2+]Cc1cnn(c1[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)c1nc(C(=O)NCCOC2CC[NH2+]CC2)n[nH]1 CC(C)[*:1] O=C(NCCOC1CC[NH2+]CC1)c1n[nH]c(n1)[*:1]
CCC(CC)n1c(N)nc2c(C)ccnc21 CCC(CC)[*:1] Cc1ccnc2c1nc(N)n2[*:1]
COc1ccc(C(=O)N2CCN(C(=O)CCc3ccncc3)CC2)cc1 c1cc(ccn1)CC[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N2CCN(C(=O)CCc3ccncc3)CC2)cc1 c1cc(ccn1)C[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(C(=O)N2CCN(C(=O)CCc3ccncc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CCc1ccncc1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N2CCN(C(=O)CCc3ccncc3)CC2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)CC[*:1]
C[C@H](CNC(=O)c1occc1-c1ccccc1)Oc1ccccc1F Fc1ccccc1[*:1] C[C@H](CNC(=O)c1occc1-c1ccccc1)O[*:1]
C[C@H](CNC(=O)c1occc1-c1ccccc1)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@H](CNC(=O)c1occc1-c1ccccc1)[*:1]
C[C@H](CNC(=O)c1occc1-c1ccccc1)Oc1ccccc1F c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1occc1[*:1])Oc1ccccc1F
CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 CCNS(=O)(=O)[*:1] O=C(Nc1ccccc1C(=O)NC1CC1)c1cccc(c1)[*:1]
CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 C1CC1[*:1] CCNS(=O)(=O)c1cccc(c1)C(=O)Nc1ccccc1C(=O)N[*:1]
CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] CCNS(=O)(=O)c1cccc(c1)C(=O)Nc1ccccc1[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(OCC#N)cc1 N#CC[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(cc1)O[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(OCC#N)cc1 N#CCO[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(cc1)[*:1]
c1ccc(-n2cnc(CN3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1 c1ccc(cc1)[*:1] c1nc(CN2CC[C@@H](C2)C[NH+]2CCCC2)nn1[*:1]
Cc1c([C@H](C)NC(=O)Cc2c(Cl)cccc2Cl)cnn1C Cc1c(cnn1C)[*:1] C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)[*:1]
COc1ccc(CNC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cc1O FC(F)[*:1] COc1ccc(cc1O)CNC(=O)N[C@@H](C)c1cccc(c1)O[*:1]
COc1ccc(CNC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cc1O FC(F)O[*:1] COc1ccc(cc1O)CNC(=O)N[C@@H](C)c1cccc(c1)[*:1]
COC(=O)/C=C/C(=O)c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)C(=O)C=C[*:1]
CCCNC(=O)c1cccc(NC(=O)CC(=O)OC)c1 COC(=O)C[*:1] CCCNC(=O)c1cccc(c1)NC(=O)[*:1]
CCCNC(=O)c1cccc(NC(=O)CC(=O)OC)c1 CCC[*:1] COC(=O)CC(=O)Nc1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(NC(=O)CC(=O)OC)c1 CCCNC(=O)[*:1] COC(=O)CC(=O)Nc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(NC(=O)CC(=O)OC)c1 COC(=O)[*:1] CCCNC(=O)c1cccc(c1)NC(=O)C[*:1]
Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)ccc1F Fc1ccc(cc1)[*:1] Cc1cc(ccc1F)NC(=O)C(=O)N[C@H]1CCC[C@@H]1[*:1]
Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)ccc1F Cc1cc(ccc1F)[*:1] O=C(N[C@H]1CCC[C@H]1c1ccc(F)cc1)C(=O)N[*:1]
Cc1nccn1-c1cncc(N2CCN(C(=O)c3cccs3)CC2)n1 c1csc(c1)[*:1] Cc1nccn1-c1cncc(n1)N1CCN(CC1)C(=O)[*:1]
Cc1nccn1-c1cncc(N2CCN(C(=O)c3cccs3)CC2)n1 Cc1nccn1[*:1] O=C(c1cccs1)N1CCN(CC1)c1cncc(n1)[*:1]
CC(C)n1cc2cc(NC(=O)C(=O)N[C@H]3CCC[C@@H](C)C3)ccc2n1 CC(C)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc2nn(cc2c1)[*:1]
COc1ccc(-c2noc(Cn3nc(-c4ccccc4)ccc3=O)n2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(-c2noc(Cn3nc(ccc3=O)[*:1])n2)c(c1)OC
Cc1nc(C)c(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 FC(F)(F)[*:1] Cc1nc(C)c(o1)C(=O)N1CCO[C@H](C1)c1cccc(c1)[*:1]
Cc1nc(C)c(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 Cc1nc(C)c(o1)[*:1] O=C(N1CCO[C@H](C1)c1cccc(c1)C(F)(F)F)[*:1]
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])c3cccc1c23 O=C([O-])[*:1] O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)N1CCC[C@@H]1[*:1]
CCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3 C1CO[C@@H](C1)C[*:1] CCSc1nc2sc3CCCc3c2c(=O)n1[*:1]
CCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3 CCS[*:1] O=c1c2c3CCCc3sc2nc(n1C[C@@H]1CCCO1)[*:1]
CCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3 C1CO[C@@H](C1)[*:1] CCSc1nc2sc3CCCc3c2c(=O)n1C[*:1]
Cc1ccc(/C=C/C(=O)NCCCC(N)=O)cc1Cl NC(=O)CCC[*:1] Cc1ccc(/C=C/C(=O)N[*:1])cc1Cl
Cc1ccc(/C=C/C(=O)NCCCC(N)=O)cc1Cl NC(=O)CC[*:1] Cc1ccc(/C=C/C(=O)NC[*:1])cc1Cl
Cc1ccc(/C=C/C(=O)NCCCC(N)=O)cc1Cl NC(=O)[*:1] Cc1ccc(/C=C/C(=O)NCCC[*:1])cc1Cl
Cc1ccc(/C=C/C(=O)NCCCC(N)=O)cc1Cl NC(=O)C[*:1] Cc1ccc(/C=C/C(=O)NCC[*:1])cc1Cl
Cc1nc(CC(=O)C(C)(C)c2ccccc2)sc1C c1ccc(cc1)[*:1] Cc1nc(CC(=O)C(C)(C)[*:1])sc1C
c1ccc(CCc2ccccc2-c2nc(-c3ccccn3)no2)cc1 c1ccc(cc1)CC[*:1] c1ccc(nc1)-c1noc(n1)-c1ccccc1[*:1]
c1ccc(CCc2ccccc2-c2nc(-c3ccccn3)no2)cc1 c1ccc(cc1)C[*:1] c1ccc(nc1)-c1noc(n1)-c1ccccc1C[*:1]
c1ccc(CCc2ccccc2-c2nc(-c3ccccn3)no2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)CCc1ccccc1-c1nc(no1)[*:1]
c1ccc(CCc2ccccc2-c2nc(-c3ccccn3)no2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)-c1noc(n1)-c1ccccc1CC[*:1]
CCc1ccccc1NC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 CCc1ccccc1[*:1] O=C(N[*:1])N1CCC(CC1)NS(=O)(=O)c1ccc(Cl)cc1
CCc1ccccc1NC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
COCc1cc(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)ccc1F COC[*:1] Cc1nc(C)c(s1)[C@H](C)N(C)C(=O)c1ccc(F)c(c1)[*:1]
COCc1cc(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)ccc1F Cc1nc(C)c(s1)[*:1] COCc1cc(ccc1F)C(=O)N(C)[C@@H](C)[*:1]
O=C(NCc1ccc(Cl)nc1)NC[C@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)nc1)NC[C@H](O)[*:1]
O=C(NCc1ccc(Cl)nc1)NC[C@H](O)c1ccc(F)cc1 Clc1ccc(cn1)[*:1] O=C(NC[C@H](O)c1ccc(F)cc1)NC[*:1]
Cn1c2c(c3ccccc31)[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(F)cc1)C(=O)CS2 Fc1ccc(cc1)C[*:1] Cn1c2SCC(=O)N(c3ccc(F)cc3)[C@@H](C(=O)N[*:1])c2c2ccccc21
Cn1c2c(c3ccccc31)[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(F)cc1)C(=O)CS2 Fc1ccc(cc1)[*:1] Cn1c2SCC(=O)N(c3ccc(F)cc3)[C@@H](C(=O)NC[*:1])c2c2ccccc21
Cn1c2c(c3ccccc31)[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(F)cc1)C(=O)CS2 Fc1ccc(cc1)[*:1] Cn1c2SCC(=O)N([C@@H](C(=O)NCc3ccc(F)cc3)c2c2ccccc21)[*:1]
Cn1c2c(c3ccccc31)[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(F)cc1)C(=O)CS2 O=C(NCc1ccc(F)cc1)[*:1] Cn1c2SCC(=O)N(c3ccc(F)cc3)[C@@H](c2c2ccccc21)[*:1]
CC(C)(C)c1ccc(CCC(=O)N2CCCN(C(N)=O)CC2)cc1 CC(C)(C)[*:1] NC(=O)N1CCCN(CC1)C(=O)CCc1ccc(cc1)[*:1]
Cc1cnc(C(=O)NCc2ccc[nH+]c2N(C)C)cn1 CN(C)[*:1] Cc1cnc(cn1)C(=O)NCc1ccc[nH+]c1[*:1]
C[C@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)c1ccc(C2CCCCC2)cc1 C1CCC(CC1)[*:1] C[C@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(-c2csc(NC(=O)CN3C(=O)N[C@@H]4[C@@H]3N(C)C(=O)N4C)n2)ccc1F Cc1cc(ccc1F)[*:1] CN1C(=O)N(C)[C@H]2[C@H]1NC(=O)N2CC(=O)Nc1nc(cs1)[*:1]
Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)N4CCCCC4)c(=O)c32)c(C)c1 O=C(C[*:1])N1CCCCC1 Cc1cc(C)c(Cn2c3ccccc3c3cnn(c(=O)c32)[*:1])c(C)c1
Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)N4CCCCC4)c(=O)c32)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(Cn1ncc2c3ccccc3n(C[*:1])c2c1=O)N1CCCCC1
Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)N4CCCCC4)c(=O)c32)c(C)c1 Cc1cc(C)c(C[*:1])c(C)c1 O=C(Cn1ncc2c3ccccc3n(c2c1=O)[*:1])N1CCCCC1
Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)N4CCCCC4)c(=O)c32)c(C)c1 O=C(N1CCCCC1)[*:1] Cc1cc(C)c(Cn2c3ccccc3c3cnn(C[*:1])c(=O)c32)c(C)c1
O=C(NCc1ccoc1)C1=NN=C(c2ccccc2)C1 c1cc(co1)[*:1] O=C(NC[*:1])C1CC(=NN=1)c1ccccc1
O=C(NCc1ccoc1)C1=NN=C(c2ccccc2)C1 c1cc(co1)C[*:1] O=C(N[*:1])C1CC(=NN=1)c1ccccc1
O=C(NCc1ccoc1)C1=NN=C(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCc1ccoc1)C1CC(=NN=1)[*:1]
CCCn1ncc2[nH]c(-c3cnc(-c4ccccc4OC)s3)nc21 COc1ccccc1[*:1] CCCn1ncc2[nH]c(nc21)-c1cnc(s1)[*:1]
CCCn1ncc2[nH]c(-c3cnc(-c4ccccc4OC)s3)nc21 CCC[*:1] COc1ccccc1-c1ncc(s1)-c1nc2c(cnn2[*:1])[nH]1
CN(C[C@H](O)C1CC1)C(=O)c1ccc(OC(F)F)cc1 FC(F)[*:1] CN(C[C@H](O)C1CC1)C(=O)c1ccc(cc1)O[*:1]
CN(C[C@H](O)C1CC1)C(=O)c1ccc(OC(F)F)cc1 FC(F)O[*:1] CN(C[C@H](O)C1CC1)C(=O)c1ccc(cc1)[*:1]
CN(C[C@H](O)C1CC1)C(=O)c1ccc(OC(F)F)cc1 C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)c1ccc(cc1)OC(F)F
CN(C[C@@H]1CCCO1)c1ncc(Cl)cc1F C1CO[C@@H](C1)[*:1] CN(C[*:1])c1ncc(Cl)cc1F
CCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 CCC[*:1] N#Cc1ccccc1NC(=O)CC[NH+]1CCC(CC1)C(=O)N[*:1]
CCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 N#Cc1ccccc1[*:1] CCCNC(=O)C1CC[NH+](CCC(=O)N[*:1])CC1
CCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 CCCNC(=O)[*:1] N#Cc1ccccc1NC(=O)CC[NH+]1CCC(CC1)[*:1]
Cc1cn2c(CN(C)C(=O)Cc3ccc(OCC#N)cc3)c(C)nc2s1 N#CCO[*:1] Cc1cn2c(CN(C)C(=O)Cc3ccc(cc3)[*:1])c(C)nc2s1
Cc1cn2c(CN(C)C(=O)Cc3ccc(OCC#N)cc3)c(C)nc2s1 N#CC[*:1] Cc1cn2c(CN(C)C(=O)Cc3ccc(cc3)O[*:1])c(C)nc2s1
O=C(NCc1cnc2nc(NC(=O)c3ccccc3)sc2c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nc2ncc(cc2s1)CNC(=O)[*:1])c1ccccc1
O=C(NCc1cnc2nc(NC(=O)c3ccccc3)sc2c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1cnc2nc(NC(=O)[*:1])sc2c1)c1ccccc1
O=C(NCc1cnc2nc(NC(=O)c3ccccc3)sc2c1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(Nc1nc2ncc(cc2s1)C[*:1])c1ccccc1
O=C(NCc1cnc2nc(NC(=O)c3ccccc3)sc2c1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(NCc1cnc2nc(sc2c1)[*:1])c1ccccc1
CCn1c(C(=O)N(C)Cc2cccc(F)c2)cc2sccc21 Fc1cccc(c1)[*:1] CCn1c(cc2sccc21)C(=O)N(C)C[*:1]
CCC[NH2+]C[C@H]1CCCO[C@@H]1c1c(Cl)cccc1Cl CCC[*:1] Clc1cccc(Cl)c1[C@H]1OCCC[C@@H]1C[NH2+][*:1]
COc1ccccc1OCc1cc(C(=O)NC2CC[NH2+]CC2)n[nH]1 COc1ccccc1[*:1] O=C(NC1CC[NH2+]CC1)c1cc(CO[*:1])[nH]n1
CCCN(CCC)C(=O)CNC(=O)c1cccc(Br)c1 CCC[*:1] CCCN(C(=O)CNC(=O)c1cccc(Br)c1)[*:1]
CC[C@@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C CC[C@@H](CCO)[*:1] CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C[*:1]
CC[C@@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C CC(C)(C)[*:1] CC[C@@H](CCO)C[NH2+][C@H]1CCCC[C@H]1[*:1]
CC[C@@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C OCC[*:1] CC[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)[*:1]
CC(C)[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[C@@H]2O)C1 CC(C)[*:1] O[C@H]1CCC[C@H]1[C@@H]1C[C@@H](CC[C@@H]1O)[*:1]
CCN1CCO[C@@H]([C@@H](CCc2ccsc2)[NH2+]C)C1 c1cc(cs1)C[*:1] CCN1CCO[C@H](C1)[C@@H](C[*:1])[NH2+]C
CCN1CCO[C@@H]([C@@H](CCc2ccsc2)[NH2+]C)C1 c1cc(cs1)[*:1] CCN1CCO[C@H](C1)[C@@H](CC[*:1])[NH2+]C
COc1ccc([N+](=O)[O-])cc1OCC(C)(C)C(=O)[O-] O=C([O-])[*:1] COc1ccc(cc1OCC(C)(C)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1OCC(C)(C)C(=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1OCC(C)(C)C(=O)[O-])[*:1]
COc1ccc([N+](=O)[O-])cc1OCC(C)(C)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] COc1ccc(cc1OC[*:1])[N+](=O)[O-]
COc1ccccc1C1(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)CC1 CC(C)(C)[*:1] COc1ccccc1C1(CC1)C(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
COc1ccccc1C1(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)CC1 COc1ccccc1[*:1] CC(C)(C)C(=O)N1CCc2ccc(cc21)NC(=O)C1(CC1)[*:1]
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 c1cc(ccn1)[*:1] CC(=NNC(=O)Cc1ccc(cc1)[N+](=O)[O-])[*:1]
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)Cc1ccc(cc1)[*:1])c1ccncc1
Cc1ncc(CC(=O)N2CCC(Cc3cccc(C(=O)[O-])c3)CC2)c(=O)[nH]1 O=C([O-])c1cccc(c1)[*:1] Cc1ncc(CC(=O)N2CCC(CC2)C[*:1])c(=O)[nH]1
Cc1ncc(CC(=O)N2CCC(Cc3cccc(C(=O)[O-])c3)CC2)c(=O)[nH]1 Cc1ncc(C[*:1])c(=O)[nH]1 O=C([O-])c1cccc(c1)CC1CCN(CC1)C(=O)[*:1]
Cc1ncc(CC(=O)N2CCC(Cc3cccc(C(=O)[O-])c3)CC2)c(=O)[nH]1 O=C([O-])[*:1] Cc1ncc(CC(=O)N2CCC(CC2)Cc2cccc(c2)[*:1])c(=O)[nH]1
Cc1ncc(CC(=O)N2CCC(Cc3cccc(C(=O)[O-])c3)CC2)c(=O)[nH]1 Cc1ncc(c(=O)[nH]1)[*:1] O=C([O-])c1cccc(c1)CC1CCN(CC1)C(=O)C[*:1]
CC[C@@H](C)C(=O)NCCCn1nc(C)cc1C CC[C@@H](C)[*:1] Cc1cc(C)n(CCCNC(=O)[*:1])n1
CCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 CCO[*:1] O=S(=O)(Nc1ccc(Cl)cc1)c1cc(ccc1[*:1])N1CCCCS1(=O)=O
CCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 O=S1(=O)CCCCN1[*:1] CCOc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)[*:1]
CCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1S(=O)(=O)N[*:1])N1CCCCS1(=O)=O
CC(C)Cn1ccnc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c1=O CC(C)C[*:1] O=c1c(nccn1[*:1])N[C@@H]1CCN(C1)c1c(F)cccc1F
CC(C)Cn1ccnc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c1=O Fc1cccc(F)c1[*:1] CC(C)Cn1ccnc(N[C@@H]2CCN(C2)[*:1])c1=O
CC(C)Cn1ccnc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c1=O CC(C)[*:1] O=c1c(nccn1C[*:1])N[C@@H]1CCN(C1)c1c(F)cccc1F
CN(C[C@@H]1CCOC1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 C1C[C@H](CO1)C[*:1] CN(C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CN(C[C@@H]1CCOC1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 C1C[C@H](CO1)[*:1] CN(C[*:1])C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
CCC(=O)Nc1ccc(-c2nc3ccc(OC(=O)CC)cc3c(=O)o2)cc1 CCC(=O)O[*:1] CCC(=O)Nc1ccc(cc1)-c1nc2ccc(cc2c(=O)o1)[*:1]
CCC(=O)Nc1ccc(-c2nc3ccc(OC(=O)CC)cc3c(=O)o2)cc1 CCC(=O)N[*:1] CCC(=O)Oc1ccc2nc(oc(=O)c2c1)-c1ccc(cc1)[*:1]
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1Cl O=[N+]([O-])[*:1] O=S(=O)([N-]c1ccc(Cl)c(c1)[*:1])c1ccc2CCCCc2c1
CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)c1ccc3ncsc3c1)n2C CC(=O)N[*:1] Cn1/c(=N\C(=O)c2ccc3ncsc3c2)sc2cc(ccc21)[*:1]
CN1C(=O)CO[C@@H](C(=O)NCc2csc(C3CC3)n2)[C@@H]1c1ccc(F)cc1 c1sc(nc1[*:1])C1CC1 CN1C(=O)CO[C@@H](C(=O)NC[*:1])[C@@H]1c1ccc(F)cc1
CN1C(=O)CO[C@@H](C(=O)NCc2csc(C3CC3)n2)[C@@H]1c1ccc(F)cc1 c1sc(nc1C[*:1])C1CC1 CN1C(=O)CO[C@@H](C(=O)N[*:1])[C@@H]1c1ccc(F)cc1
CN1C(=O)CO[C@@H](C(=O)NCc2csc(C3CC3)n2)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1C(=O)CO[C@@H](C(=O)NCc2csc(n2)C2CC2)[C@H]1[*:1]
CN1C(=O)CO[C@@H](C(=O)NCc2csc(C3CC3)n2)[C@@H]1c1ccc(F)cc1 C1CC1[*:1] CN1C(=O)CO[C@@H](C(=O)NCc2csc(n2)[*:1])[C@@H]1c1ccc(F)cc1
Cc1cc(C[S@](=O)Cc2nc(C3CC3)no2)c2ccccc2n1 C1CC1[*:1] Cc1cc(C[S@](=O)Cc2nc(no2)[*:1])c2ccccc2n1
C[C@@H](C(=O)Nc1ccc(SC(C)(C)C)cc1)[NH+](C)C CC(C)(C)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)S[*:1])[NH+](C)C
C[C@@H](C(=O)Nc1ccc(SC(C)(C)C)cc1)[NH+](C)C CC(C)(C)S[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])[NH+](C)C
CC[C@@H](OC1CCCC1)C(=O)N(C)Cc1c(C)nc2sc(C)cn12 C1CCC(C1)[*:1] CC[C@@H](O[*:1])C(=O)N(C)Cc1c(C)nc2sc(C)cn12
CC[C@@H](OC1CCCC1)C(=O)N(C)Cc1c(C)nc2sc(C)cn12 C1CCC(C1)O[*:1] CC[C@@H](C(=O)N(C)Cc1c(C)nc2sc(C)cn12)[*:1]
C[C@@H]1CC[C@H](NC(=O)CCC(F)(F)F)[C@H](C)C1 FC(F)(F)C[*:1] C[C@@H]1CC[C@H](NC(=O)C[*:1])[C@H](C)C1
C[C@@H]1CC[C@H](NC(=O)CCC(F)(F)F)[C@H](C)C1 FC(F)(F)[*:1] C[C@@H]1CC[C@H](NC(=O)CC[*:1])[C@H](C)C1
COc1ccc(C(=O)COC(=O)Cc2ccc(Br)cc2)cc1Br Brc1ccc(cc1)[*:1] COc1ccc(cc1Br)C(=O)COC(=O)C[*:1]
CC(=O)OC1=C(C(=O)c2ccccc2)N(C)S(=O)(=O)c2ccccc21 c1ccc(cc1)[*:1] CC(=O)OC1=C(C(=O)[*:1])N(C)S(=O)(=O)c2ccccc21
CC(=O)OC1=C(C(=O)c2ccccc2)N(C)S(=O)(=O)c2ccccc21 O=C(c1ccccc1)[*:1] CC(=O)OC1=C(N(C)S(=O)(=O)c2ccccc21)[*:1]
CC(=O)OC1=C(C(=O)c2ccccc2)N(C)S(=O)(=O)c2ccccc21 CC(=O)O[*:1] CN1C(C(=O)c2ccccc2)=C(c2ccccc2S1(=O)=O)[*:1]
CCN(C)c1cccc(NC(=O)c2n[nH]c3ccccc23)c1 CCN(C)[*:1] O=C(Nc1cccc(c1)[*:1])c1n[nH]c2ccccc12
CC(=O)Nc1ccc(-c2ccc(C(=O)NCc3cccc(F)c3)cc2)nc1 CC(=O)N[*:1] O=C(NCc1cccc(F)c1)c1ccc(cc1)-c1ccc(cn1)[*:1]
CC(=O)Nc1ccc(-c2ccc(C(=O)NCc3cccc(F)c3)cc2)nc1 Fc1cccc(c1)C[*:1] CC(=O)Nc1ccc(nc1)-c1ccc(cc1)C(=O)N[*:1]
CC(=O)Nc1ccc(-c2ccc(C(=O)NCc3cccc(F)c3)cc2)nc1 Fc1cccc(c1)[*:1] CC(=O)Nc1ccc(nc1)-c1ccc(cc1)C(=O)NC[*:1]
CC(C)(C)[C@@H]([NH3+])CN1CCOCC1=O CC(C)(C)[*:1] [NH3+][C@@H](CN1CCOCC1=O)[*:1]
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(c(O)c2)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(c(O)c1)[N+](=O)[O-]
COCCn1nc(C)c(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)N1C[C@H]2CCCC[C@@H]2C1
COCCn1nc(C)c(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)N1C[C@H]2CCCC[C@@H]2C1)[*:1]
Cc1nc2c(s1)[C@H](NCc1ccccc1[N+](=O)[O-])CCC2 O=[N+]([O-])[*:1] Cc1nc2CCC[C@@H](NCc3ccccc3[*:1])c2s1
Cc1ccc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)s1 Cc1ccc(s1)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)N[*:1]
Cc1ccc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)s1 c1cnc(nc1)[*:1] Cc1ccc(NC(=O)NC[C@H]2CCCN(C2)[*:1])s1
CNC(=O)[C@H]1CCCCN1C(=O)NCCOCC(=O)[O-] O=C([O-])CO[*:1] CNC(=O)[C@H]1CCCCN1C(=O)NCC[*:1]
CNC(=O)[C@H]1CCCCN1C(=O)NCCOCC(=O)[O-] CNC(=O)[*:1] O=C([O-])COCCNC(=O)N1CCCC[C@@H]1[*:1]
CNC(=O)[C@H]1CCCCN1C(=O)NCCOCC(=O)[O-] O=C([O-])C[*:1] CNC(=O)[C@H]1CCCCN1C(=O)NCCO[*:1]
CNC(=O)[C@H]1CCCCN1C(=O)NCCOCC(=O)[O-] O=C([O-])COC[*:1] CNC(=O)[C@H]1CCCCN1C(=O)NC[*:1]
CNC(=O)[C@H]1CCCCN1C(=O)NCCOCC(=O)[O-] O=C([O-])[*:1] CNC(=O)[C@H]1CCCCN1C(=O)NCCOC[*:1]
Cn1c(=O)n(CC(=O)NNC(=S)Nc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] Cn1c(=O)n(CC(=O)NNC(=S)N[*:1])c2ccccc21
CCC(=O)NCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 CCC(=O)NC[*:1] O=C(N1CCC(CC1)c1ccc(cc1)C(F)(F)F)[*:1]
CCC(=O)NCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 CCC(=O)N[*:1] O=C(C[*:1])N1CCC(CC1)c1ccc(cc1)C(F)(F)F
CCC(=O)NCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] CCC(=O)NCC(=O)N1CCC(CC1)c1ccc(cc1)[*:1]
Cc1ccc2cc(-c3noc([C@H]4CCCO4)n3)c(=O)[nH]c2c1 C1CO[C@H](C1)[*:1] Cc1ccc2cc(-c3noc(n3)[*:1])c(=O)[nH]c2c1
Cn1c(=O)cc(Oc2cccnc2)c2cc(NC(=O)c3cccc(OC(F)F)c3)ccc21 c1cncc(c1)O[*:1] Cn1c(=O)cc(c2cc(ccc21)NC(=O)c1cccc(c1)OC(F)F)[*:1]
Cn1c(=O)cc(Oc2cccnc2)c2cc(NC(=O)c3cccc(OC(F)F)c3)ccc21 FC(F)[*:1] Cn1c(=O)cc(Oc2cccnc2)c2cc(ccc21)NC(=O)c1cccc(c1)O[*:1]
Cn1c(=O)cc(Oc2cccnc2)c2cc(NC(=O)c3cccc(OC(F)F)c3)ccc21 FC(F)Oc1cccc(c1)[*:1] Cn1c(=O)cc(Oc2cccnc2)c2cc(ccc21)NC(=O)[*:1]
Cn1c(=O)cc(Oc2cccnc2)c2cc(NC(=O)c3cccc(OC(F)F)c3)ccc21 FC(F)O[*:1] Cn1c(=O)cc(Oc2cccnc2)c2cc(ccc21)NC(=O)c1cccc(c1)[*:1]
Cn1c(=O)cc(Oc2cccnc2)c2cc(NC(=O)c3cccc(OC(F)F)c3)ccc21 c1cncc(c1)[*:1] Cn1c(=O)cc(O[*:1])c2cc(ccc21)NC(=O)c1cccc(c1)OC(F)F
CC(C)n1c(=[NH2+])c(C(=O)NCC[NH+]2CCOCC2)cc2c(=O)n3ccccc3nc21 CC(C)[*:1] [NH2+]=c1c(cc2c(=O)n3ccccc3nc2n1[*:1])C(=O)NCC[NH+]1CCOCC1
COc1ccc(OC2CC[NH+](CCc3cc(C)no3)CC2)cc1 Cc1cc(on1)[*:1] COc1ccc(cc1)OC1CC[NH+](CC1)CC[*:1]
COc1ccc(OC2CC[NH+](CCc3cc(C)no3)CC2)cc1 Cc1cc(C[*:1])on1 COc1ccc(cc1)OC1CC[NH+](CC1)C[*:1]
CC(=O)c1cc(C(=O)NCC[S@@](=O)C(C)(C)C)n(C)c1 CC(=O)[*:1] Cn1cc(cc1C(=O)NCC[S@@](=O)C(C)(C)C)[*:1]
CC(=O)c1cc(C(=O)NCC[S@@](=O)C(C)(C)C)n(C)c1 CC(C)(C)[*:1] CC(=O)c1cc(C(=O)NCC[S@@](=O)[*:1])n(C)c1
C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1cccnc1 c1cc2OCOc2cc1[*:1] C[C@@H]1CCCC[C@@H]1n1c(nnc1-c1cccnc1)SCC(=O)[*:1]
C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1cccnc1 c1cncc(c1)[*:1] C[C@@H]1CCCC[C@@H]1n1c(nnc1[*:1])SCC(=O)c1ccc2OCOc2c1
Cc1cccc(-n2nnnc2SC[C@@H](O)COc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)-n1nnnc1SC[C@@H](O)CO[*:1]
Cc1cccc(-n2nnnc2SC[C@@H](O)COc2ccc(F)cc2)c1 Cc1cccc(c1)[*:1] O[C@@H](COc1ccc(F)cc1)CSc1nnnn1[*:1]
Cc1cccc(-n2nnnc2SC[C@@H](O)COc2ccc(F)cc2)c1 Fc1ccc(cc1)O[*:1] Cc1cccc(c1)-n1nnnc1SC[C@@H](O)C[*:1]
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1ncc(s1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1ncc(s1)[N+](=O)[O-])c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc2oc(NCC[C@H]3CCCO3)nc2c1 C1CO[C@H](C1)[*:1] O=[N+]([O-])c1ccc2oc(nc2c1)NCC[*:1]
O=[N+]([O-])c1ccc2oc(NCC[C@H]3CCCO3)nc2c1 O=[N+]([O-])[*:1] c1cc2oc(nc2cc1[*:1])NCC[C@H]1CCCO1
O=[N+]([O-])c1ccc2oc(NCC[C@H]3CCCO3)nc2c1 C1CO[C@H](C1)C[*:1] O=[N+]([O-])c1ccc2oc(nc2c1)NC[*:1]
CN(C(=O)NC1CCC(O)CC1)C1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C(=O)NC1CCC(O)CC1)C1CCC(CC1)[*:1]
CN(C(=O)NC1CCC(O)CC1)C1CCC(c2ccccc2)CC1 OC1CCC(CC1)[*:1] CN(C(=O)N[*:1])C1CCC(CC1)c1ccccc1
C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C[NH2+]C[C@@H]1CCCN(C1)C(=O)O[*:1]
COc1cccc(N2C[C@H](C(=O)NCCS(=O)(=O)N3c4ccccc4C[C@@H]3C)CC2=O)c1 COc1cccc(c1)[*:1] C[C@H]1Cc2ccccc2N1S(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1cc(CCNC(=O)NC[C@H](C)N2CCOCC2)ccc1F C1CN(CCO1)[*:1] COc1cc(ccc1F)CCNC(=O)NC[C@H](C)[*:1]
Cc1cn2c(=O)cc(COc3ccccc3NC(=O)COc3ccccc3)nc2s1 c1ccc(cc1)O[*:1] Cc1cn2c(=O)cc(COc3ccccc3NC(=O)C[*:1])nc2s1
Cc1cn2c(=O)cc(COc3ccccc3NC(=O)COc3ccccc3)nc2s1 c1ccc(cc1)OC[*:1] Cc1cn2c(=O)cc(COc3ccccc3NC(=O)[*:1])nc2s1
Cc1cn2c(=O)cc(COc3ccccc3NC(=O)COc3ccccc3)nc2s1 c1ccc(cc1)[*:1] Cc1cn2c(=O)cc(COc3ccccc3NC(=O)CO[*:1])nc2s1
O=C(CCc1ccco1)Nc1ccc2nc(C3CC3)oc2c1 c1coc(c1)CC[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)[*:1]
O=C(CCc1ccco1)Nc1ccc2nc(C3CC3)oc2c1 c1coc(c1)C[*:1] O=C(C[*:1])Nc1ccc2nc(oc2c1)C1CC1
O=C(CCc1ccco1)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] O=C(CCc1ccco1)Nc1ccc2nc(oc2c1)[*:1]
O=C(CCc1ccco1)Nc1ccc2nc(C3CC3)oc2c1 c1coc(c1)[*:1] O=C(CC[*:1])Nc1ccc2nc(oc2c1)C1CC1
C[C@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C)c1nccs1 c1csc(n1)[*:1] C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H](C)[*:1]
COc1cc(OC)cc(C(=O)NC[C@@H](O)c2ccoc2)c1 c1cc(co1)[*:1] COc1cc(cc(c1)C(=O)NC[C@@H](O)[*:1])OC
O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCCCCC1 c1ccc(cc1)[*:1] O=C([C@H](C[*:1])n1cnnn1)N1CCCCCC1
O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCCCCC1 c1nnnn1[*:1] O=C([C@H](Cc1ccccc1)[*:1])N1CCCCCC1
O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCCCCC1 c1ccc(cc1)C[*:1] O=C([C@H](n1cnnn1)[*:1])N1CCCCCC1
C=CCNC(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O C=CCNC(=O)C[*:1] Cc1cc(-c2cc(N)c(=O)n(n2)[*:1])c(C)o1
C=CCNC(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O C=CC[*:1] Cc1cc(-c2cc(N)c(=O)n(CC(=O)N[*:1])n2)c(C)o1
C=CCNC(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O C=CCNC(=O)[*:1] Cc1cc(-c2cc(N)c(=O)n(C[*:1])n2)c(C)o1
C=CCNC(=O)Cn1nc(-c2cc(C)oc2C)cc(N)c1=O Cc1cc(c(C)o1)[*:1] C=CCNC(=O)Cn1nc(cc(N)c1=O)[*:1]
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] C[C@@H](c1nc(no1)-c1cccc(c1)C(F)(F)F)N1CCN(CC1)C(=O)[*:1]
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccccc2Cl)CC1 FC(F)(F)[*:1] C[C@@H](c1nc(no1)-c1cccc(c1)[*:1])N1CCN(CC1)C(=O)c1ccccc1Cl
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccccc2Cl)CC1 FC(F)(F)c1cccc(c1)[*:1] C[C@@H](c1nc(no1)[*:1])N1CCN(CC1)C(=O)c1ccccc1Cl
COc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccn1 c1ccc(cc1)O[*:1] COc1ccccc1[C@H](NC(=O)[C@H](C)[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccn1 C[C@H](Oc1ccccc1)[*:1] COc1ccccc1[C@H](NC(=O)[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] COc1ccccc1[C@H](NC(=O)[C@H](C)O[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccccc1)[*:1]
COc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccn1 COc1ccccc1[*:1] C[C@H](Oc1ccccc1)C(=O)N[C@H](c1ccccn1)[*:1]
Cc1sc2nc(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)n(C)c(=O)c2c1C Cc1c(Cl)cnc(c1Cl)[*:1] Cc1sc2nc(SCC(=O)N[*:1])n(C)c(=O)c2c1C
CSC[C@H](C)C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 C1CN(CCO1)[*:1] CSC[C@H](C)C(=O)NC[C@@H](c1cccc(C)c1)[*:1]
CSC[C@H](C)C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 Cc1cccc(c1)[*:1] CSC[C@H](C)C(=O)NC[C@@H](N1CCOCC1)[*:1]
CSC[C@H](C)C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 CSC[C@H](C)[*:1] Cc1cccc(c1)[C@H](CNC(=O)[*:1])N1CCOCC1
CSC[C@H](C)C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 CSC[*:1] Cc1cccc(c1)[C@H](CNC(=O)[C@@H](C)[*:1])N1CCOCC1
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC(C)C)cc2)C(C#N)=C(N)O3)cc1OC CC(C)O[*:1] CCOc1ccc(cc1OC)-c1[nH]nc2OC(N)=C(C#N)[C@H](c3ccc(cc3)[*:1])c21
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC(C)C)cc2)C(C#N)=C(N)O3)cc1OC CC(C)Oc1ccc(cc1)[*:1] CCOc1ccc(cc1OC)-c1[nH]nc2OC(N)=C(C#N)[C@H](c21)[*:1]
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC(C)C)cc2)C(C#N)=C(N)O3)cc1OC CC(C)[*:1] CCOc1ccc(cc1OC)-c1[nH]nc2OC(N)=C(C#N)[C@H](c3ccc(cc3)O[*:1])c21
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC(C)C)cc2)C(C#N)=C(N)O3)cc1OC CCOc1ccc(cc1OC)[*:1] CC(C)Oc1ccc(cc1)[C@H]1C(C#N)=C(N)Oc2n[nH]c(c21)[*:1]
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC(C)C)cc2)C(C#N)=C(N)O3)cc1OC CCO[*:1] COc1cc(ccc1[*:1])-c1[nH]nc2OC(N)=C(C#N)[C@H](c3ccc(cc3)OC(C)C)c21
CC(C)COC1CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 O=S(=O)(N1CCCC1)[*:1] CC(C)COC1CC[NH+](CC1)Cc1ccc(o1)[*:1]
CC(C)COC1CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 CC(C)C[*:1] O=S(=O)(c1ccc(C[NH+]2CCC(CC2)O[*:1])o1)N1CCCC1
CC(C)COC1CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 CC(C)CO[*:1] O=S(=O)(c1ccc(C[NH+]2CCC(CC2)[*:1])o1)N1CCCC1
CC(C)COC1CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 CC(C)[*:1] O=S(=O)(c1ccc(C[NH+]2CCC(CC2)OC[*:1])o1)N1CCCC1
C[n+]1ccccc1/C=C/c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[n+]1ccccc1/C=C/c1ccc(cc1)[*:1]
C[n+]1ccccc1/C=C/c1ccc(-c2ccccc2)cc1 C[n+]1ccccc1[*:1] C(=C[*:1])c1ccc(cc1)-c1ccccc1
C[C@H](O)C[C@@H]1CCCCN1C(=O)C1C(C)(C)C1(C)C C[C@H](O)C[*:1] CC1(C)C(C(=O)N2CCCC[C@H]2[*:1])C1(C)C
C[C@H](O)C[C@@H]1CCCCN1C(=O)C1C(C)(C)C1(C)C C[C@H](O)[*:1] CC1(C)C(C(=O)N2CCCC[C@H]2C[*:1])C1(C)C
Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](C)CCc3ccccc3)CC2)no1 c1ccc(cc1)C[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](C)CCc3ccccc3)CC2)no1 Cc1cc(no1)NC(=O)[*:1] C[C@@H](CCc1ccccc1)NC(=O)N1CCC(CC1)[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](C)CCc3ccccc3)CC2)no1 Cc1cc(no1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](C)CCc3ccccc3)CC2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)N[C@@H](C)CC[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](C)CCc3ccccc3)CC2)no1 c1ccc(cc1)CC[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)N[C@@H](C)[*:1]
CCc1cccc(C)c1NC(=O)CSc1nccnc1N1CCN(c2cc(C)ccc2C)CC1 Cc1ccc(C)c(c1)[*:1] CCc1cccc(C)c1NC(=O)CSc1nccnc1N1CCN(CC1)[*:1]
CCc1cccc(C)c1NC(=O)CSc1nccnc1N1CCN(c2cc(C)ccc2C)CC1 CCc1cccc(C)c1[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)c1nccnc1SCC(=O)N[*:1]
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(OC(F)F)c1 FC(F)O[*:1] COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(c1)[*:1]
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(OC(F)F)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)OC(F)F)N[C@H]1CCC[C@H]1[*:1]
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(OC(F)F)c1 FC(F)[*:1] COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(c1)O[*:1]
Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)ccc1F Cc1cc(ccc1F)[*:1] O=S(=O)(NC[C@H](c1cccs1)N1CCc2ccccc2C1)[*:1]
Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)ccc1F c1csc(c1)[*:1] Cc1cc(ccc1F)S(=O)(=O)NC[C@H](N1CCc2ccccc2C1)[*:1]
CCOCc1ccc(CNC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1 CCO[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)NCc1ccc(cc1)C[*:1]
CCOCc1ccc(CNC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1 CCOC[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)NCc1ccc(cc1)[*:1]
CCCN1C(=O)[C@@]2(/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2CCC[NH+]2CCOCC2)c2ccccc21 Cc1ccc(o1)[*:1] CCCN1C(=O)[C@@]2(/C(C(=O)C(=O)N2CCC[NH+]2CCOCC2)=C(\O)[*:1])c2ccccc21
CCCN1C(=O)[C@@]2(/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2CCC[NH+]2CCOCC2)c2ccccc21 CCC[*:1] Cc1ccc(o1)/C(O)=C1\C(=O)C(=O)N(CCC[NH+]2CCOCC2)[C@]12C(=O)N(c1ccccc12)[*:1]
CCOc1ccc(CNc2cccc(C)c2)cc1 CCO[*:1] Cc1cccc(c1)NCc1ccc(cc1)[*:1]
CC(C)Cc1nc2oc3c(=O)n(CC(=O)NC[C@H]4CCCO4)cnc3c2c2c1COC(C)(C)C2 CC(C)[*:1] CC1(C)Cc2c(CO1)c(C[*:1])nc1oc3c(=O)n(cnc3c21)CC(=O)NC[C@H]1CCCO1
CC(C)Cc1nc2oc3c(=O)n(CC(=O)NC[C@H]4CCCO4)cnc3c2c2c1COC(C)(C)C2 CC(C)C[*:1] CC1(C)Cc2c(CO1)c(nc1oc3c(=O)n(cnc3c21)CC(=O)NC[C@H]1CCCO1)[*:1]
CC(C)Cc1nc2oc3c(=O)n(CC(=O)NC[C@H]4CCCO4)cnc3c2c2c1COC(C)(C)C2 O=C(C[*:1])NC[C@H]1CCCO1 CC(C)Cc1nc2oc3c(=O)n(cnc3c2c2CC(C)(C)OCc12)[*:1]
Cc1csc(-c2ccc(NC(=O)NCC(C)(C)c3ccncc3)cc2)n1 Cc1csc(n1)[*:1] CC(C)(CNC(=O)Nc1ccc(cc1)[*:1])c1ccncc1
Cc1csc(-c2ccc(NC(=O)NCC(C)(C)c3ccncc3)cc2)n1 c1cc(ccn1)[*:1] Cc1csc(n1)-c1ccc(cc1)NC(=O)NCC(C)(C)[*:1]
COc1cc(C)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1C Clc1ccc(cc1)[*:1] COc1cc(C)c(cc1C)C[NH+]1CCN(CC1)[*:1]
O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)N[C@@H]1c2ccccc2C[C@@H]1O O=C(NC1CCCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1c2ccccc2C[C@@H]1O
O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)N[C@@H]1c2ccccc2C[C@@H]1O C1CCC(CC1)[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])N[C@@H]1c2ccccc2C[C@@H]1O
O=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)N[*:1]
O=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)Nc1ccccc1 O=C(N[*:1])c1ccccc1 O=C(Cn1c(C[*:1])nc2ccccc21)Nc1ccccc1
O=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(NCc1nc2ccccc2n1C[*:1])c1ccccc1
O=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(CNC(=O)[*:1])nc2ccccc21)Nc1ccccc1
CS(=O)(=O)c1ccc(C(=O)NCc2cc[nH]n2)cc1 c1cc(C[*:1])n[nH]1 CS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CS(=O)(=O)c1ccc(C(=O)NCc2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CS(=O)(=O)c1ccc(C(=O)NCc2cc[nH]n2)cc1 CS(=O)(=O)[*:1] O=C(NCc1cc[nH]n1)c1ccc(cc1)[*:1]
O=c1ccn(Cc2c(-c3ccccc3)nc3ccccn23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=c1ccn(cc1[*:1])Cc1c(nc2ccccn12)-c1ccccc1
O=c1ccn(Cc2c(-c3ccccc3)nc3ccccn23)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] O=c1ccn(cc1[N+](=O)[O-])Cc1c(nc2ccccn12)[*:1]
O=C(NCc1ccc(Cl)cc1)NC[C@@]1(O)CCc2ccccc21 Clc1ccc(cc1)[*:1] O=C(NC[C@@]1(O)CCc2ccccc21)NC[*:1]
CCc1ccc([C@@H](Cc2cccc3ccccc23)[NH2+]C)o1 CCc1ccc(o1)[*:1] C[NH2+][C@H](Cc1cccc2ccccc12)[*:1]
CC(C)NC(=O)Cc1ccc(NCc2cn(C)nc2C(C)(C)C)cc1 CC(C)NC(=O)[*:1] Cn1cc(CNc2ccc(cc2)C[*:1])c(n1)C(C)(C)C
CC(C)NC(=O)Cc1ccc(NCc2cn(C)nc2C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)NC(=O)Cc1ccc(cc1)NCc1cn(C)nc1[*:1]
CC(C)NC(=O)Cc1ccc(NCc2cn(C)nc2C(C)(C)C)cc1 CC(C)NC(=O)C[*:1] Cn1cc(CNc2ccc(cc2)[*:1])c(n1)C(C)(C)C
CC(C)NC(=O)Cc1ccc(NCc2cn(C)nc2C(C)(C)C)cc1 CC(C)[*:1] Cn1cc(CNc2ccc(cc2)CC(=O)N[*:1])c(n1)C(C)(C)C
CCCNC(=O)[C@@H](C)NC(=O)COc1ccc(Br)cc1 CCC[*:1] C[C@@H](NC(=O)COc1ccc(Br)cc1)C(=O)N[*:1]
CCCNC(=O)[C@@H](C)NC(=O)COc1ccc(Br)cc1 CCCNC(=O)[*:1] C[C@@H](NC(=O)COc1ccc(Br)cc1)[*:1]
Cc1n[nH]cc1CNC(=O)c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)c(C)o2)cc1 c1ccc(cc1)[*:1] Cc1n[nH]cc1CNC(=O)c1ccc(cc1)-c1nc(CN2CCN(CC2)[*:1])c(C)o1
O=C(Nc1nc2ccc(Br)cc2s1)[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nc2ccc(Br)cc2s1)[C@H]1C[C@H]1[*:1]
COCC1=C2[C@H](c3ccc4c(c3)OCO4)C(C#N)=C(N)O[C@H]2N=N1 COC[*:1] N#CC1=C(N)O[C@H]2N=NC(=C2[C@@H]1c1ccc2OCOc2c1)[*:1]
Cc1csc([C@@H](C#N)C(=O)Cc2ccc(F)c(F)c2)n1 Cc1csc(n1)[*:1] N#C[C@@H](C(=O)Cc1ccc(F)c(F)c1)[*:1]
N#Cc1ccc(NC(=O)NCC2(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)NCC1(CC1)[*:1]
COc1cc(C=O)ccc1OCC(=O)NC1CCC(C)CC1 CC1CCC(CC1)[*:1] COc1cc(C=O)ccc1OCC(=O)N[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)Nc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)N[*:1]
c1ccc(Oc2ccc(Nc3ccc4nnnn4n3)cc2)cc1 c1ccc(cc1)O[*:1] c1cc(ccc1Nc1ccc2nnnn2n1)[*:1]
c1ccc(Oc2ccc(Nc3ccc4nnnn4n3)cc2)cc1 c1ccc(cc1)[*:1] c1cc(ccc1Nc1ccc2nnnn2n1)O[*:1]
COC(=O)[C@H](CO)Nc1cc(C)ccc1[N+](=O)[O-] COC(=O)[*:1] Cc1ccc(c(c1)N[C@@H](CO)[*:1])[N+](=O)[O-]
COC(=O)[C@H](CO)Nc1cc(C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)[C@H](CO)Nc1cc(C)ccc1[*:1]
COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc(F)c4)C3)n2)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)-c1noc(n1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc(F)c4)C3)n2)cc1OC COc1ccc(cc1OC)[*:1] O=S(=O)(c1cccc(F)c1)N1CCC[C@@H](C1)c1nc(no1)[*:1]
COc1cccc([C@@H](NC(=O)c2ccnc(OC(C)(C)C)c2)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@@H](NC(=O)c1ccnc(c1)OC(C)(C)C)[*:1]
COc1cccc([C@@H](NC(=O)c2ccnc(OC(C)(C)C)c2)c2nccn2C)c1 COc1cccc(c1)[*:1] Cn1ccnc1[C@H](NC(=O)c1ccnc(c1)OC(C)(C)C)[*:1]
COc1cccc([C@@H](NC(=O)c2ccnc(OC(C)(C)C)c2)c2nccn2C)c1 CC(C)(C)[*:1] COc1cccc(c1)[C@@H](NC(=O)c1ccnc(c1)O[*:1])c1nccn1C
COc1cccc([C@@H](NC(=O)c2ccnc(OC(C)(C)C)c2)c2nccn2C)c1 CC(C)(C)O[*:1] COc1cccc(c1)[C@@H](NC(=O)c1ccnc(c1)[*:1])c1nccn1C
CCc1nn(C)c(CC)c1CN1CCO[C@H](C(N)=O)C1 NC(=O)[*:1] CCc1nn(C)c(CC)c1CN1CCO[C@H](C1)[*:1]
O=C(Cc1cccc(F)c1)NCC(=O)Nc1cc[nH]n1 c1cc(n[nH]1)[*:1] O=C(Cc1cccc(F)c1)NCC(=O)N[*:1]
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)CC[*:1])C1=O
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C2=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)C[*:1])C1=O
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C2=O)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)[*:1])C1=O
CC(=O)Nc1cc(F)c(F)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 CC(=O)N[*:1] O=C(Nc1cc(F)c(F)cc1[*:1])[C@H]1C[C@@H]1c1cccc(F)c1
CC(=O)Nc1cc(F)c(F)cc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(=O)Nc1cc(F)c(F)cc1NC(=O)[C@H]1C[C@H]1[*:1]
CC(C)CC(=O)Nc1cccc(-c2nc3cnccc3o2)c1 CC(C)[*:1] O=C(C[*:1])Nc1cccc(c1)-c1nc2cnccc2o1
CC(C)CC(=O)Nc1cccc(-c2nc3cnccc3o2)c1 CC(C)CC(=O)N[*:1] c1cc(cc(c1)[*:1])-c1nc2cnccc2o1
CC(C)CC(=O)Nc1cccc(-c2nc3cnccc3o2)c1 CC(C)C[*:1] O=C(Nc1cccc(c1)-c1nc2cnccc2o1)[*:1]
Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3cccs3)cc2C1=O O=C(NNC(=O)[*:1])c1cccs1 Cc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)OC[*:1]
Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3cccs3)cc2C1=O c1csc(c1)[*:1] Cc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)OCC(=O)NNC(=O)[*:1]
Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3cccs3)cc2C1=O Cc1ccccc1[*:1] O=C(COC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])NNC(=O)c1cccs1
Cc1nc2nc(CSc3nnc(N)s3)cc([O-])n2n1 Nc1nnc(s1)[*:1] Cc1nc2nc(cc([O-])n2n1)CS[*:1]
CC(=O)Nc1cccc(-n2nnnc2SCC(=O)c2ccc(F)c(F)c2)c1 CC(=O)N[*:1] O=C(CSc1nnnn1-c1cccc(c1)[*:1])c1ccc(F)c(F)c1
CC(=O)Nc1cccc(-n2nnnc2SCC(=O)c2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] CC(=O)Nc1cccc(c1)-n1nnnc1SCC(=O)[*:1]
Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCc1nc2ccccc2n1C CC(C)[*:1] Cc1nc(sc1[C@H](C)[NH2+]CCCc1nc2ccccc2n1C)[*:1]
CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(C)cn1 c1ccn(c1)[*:1] CCCc1nc(sc1C(=O)Nc1ccc(C)cn1)[*:1]
CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(C)cn1 Cc1ccc(nc1)[*:1] CCCc1nc(sc1C(=O)N[*:1])-n1cccc1
CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(C)cn1 CCC[*:1] Cc1ccc(nc1)NC(=O)c1sc(nc1[*:1])-n1cccc1
CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(C)cc1 C[C@H](c1ccccc1)[*:1] CCn1c(nnc1-c1ccc(C)cc1)SCC(=O)N[*:1]
CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N[C@H](C)c1ccccc1
CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(C)cc1 c1ccc(cc1)[*:1] CCn1c(nnc1-c1ccc(C)cc1)SCC(=O)N[C@H](C)[*:1]
O=C(c1ccc2c(c1)COCO2)N1CCCC[C@H]1CCO OCC[*:1] O=C(c1ccc2OCOCc2c1)N1CCCC[C@@H]1[*:1]
C[C@@H](S[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O)C(=O)[O-] O=C([O-])[*:1] C[C@@H](S[C@H]1CC(=O)N(C1=O)c1ccc2ccccc2c1)[*:1]
Cc1cc(-n2c(C)cc(/C=C/C(=O)Nc3cccc(C(N)=O)c3)c2C)no1 NC(=O)[*:1] Cc1cc(no1)-n1c(C)cc(/C=C/C(=O)Nc2cccc(c2)[*:1])c1C
Cc1cc(-n2c(C)cc(/C=C/C(=O)Nc3cccc(C(N)=O)c3)c2C)no1 NC(=O)c1cccc(c1)[*:1] Cc1cc(no1)-n1c(C)cc(/C=C/C(=O)N[*:1])c1C
Cc1cc(-n2c(C)cc(/C=C/C(=O)Nc3cccc(C(N)=O)c3)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(/C=C/C(=O)Nc2cccc(c2)C(N)=O)c(C)n1[*:1]
Cc1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[*:1]
CCO/C([O-])=C1/C(c2ccccc2)=NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCO/C([O-])=C1/C(=NC(=S)N[C@@H]1c1cccc(c1)[*:1])c1ccccc1
CCO/C([O-])=C1/C(c2ccccc2)=NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 CCO[*:1] O=[N+]([O-])c1cccc(c1)[C@H]1NC(=S)N=C(C1=C([O-])[*:1])c1ccccc1
CCO/C([O-])=C1/C(c2ccccc2)=NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CCO/C([O-])=C1/C(=NC(=S)N[C@H]1[*:1])c1ccccc1
CCO/C([O-])=C1/C(c2ccccc2)=NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CCO/C([O-])=C1/C(=NC(=S)N[C@@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)nc1 O=[N+]([O-])[*:1] c1cc(ncc1[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
COc1ccccc1C(=O)NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 COc1ccccc1[*:1] O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC(=O)[*:1]
Cc1ccc(C(=O)CCC(=O)N2CCOC[C@@H]2C(N)=O)cc1C NC(=O)[*:1] Cc1ccc(cc1C)C(=O)CCC(=O)N1CCOC[C@H]1[*:1]
COCCNC(=O)Cc1csc(Nc2cc(C)ccn2)n1 COCCNC(=O)[*:1] Cc1ccnc(c1)Nc1nc(cs1)C[*:1]
COCCNC(=O)Cc1csc(Nc2cc(C)ccn2)n1 COC[*:1] Cc1ccnc(c1)Nc1nc(cs1)CC(=O)NC[*:1]
COCCNC(=O)Cc1csc(Nc2cc(C)ccn2)n1 COCC[*:1] Cc1ccnc(c1)Nc1nc(cs1)CC(=O)N[*:1]
COCCNC(=O)Cc1csc(Nc2cc(C)ccn2)n1 Cc1ccnc(c1)[*:1] COCCNC(=O)Cc1csc(n1)N[*:1]
CC(C)c1ocnc1Cn1nnc(CN(C)C(=O)c2ccccc2)n1 CC(C)[*:1] CN(Cc1nnn(Cc2ncoc2[*:1])n1)C(=O)c1ccccc1
CC(C)c1ocnc1Cn1nnc(CN(C)C(=O)c2ccccc2)n1 CC(C)c1ocnc1[*:1] CN(Cc1nnn(C[*:1])n1)C(=O)c1ccccc1
CC(C)c1ocnc1Cn1nnc(CN(C)C(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)c1ocnc1Cn1nnc(CN(C)C(=O)[*:1])n1
NS(=O)(=O)CCNC(=O)Cc1ccc(OC(F)(F)F)cc1 NS(=O)(=O)CC[*:1] O=C(Cc1ccc(cc1)OC(F)(F)F)N[*:1]
NS(=O)(=O)CCNC(=O)Cc1ccc(OC(F)(F)F)cc1 NS(=O)(=O)[*:1] O=C(Cc1ccc(cc1)OC(F)(F)F)NCC[*:1]
NS(=O)(=O)CCNC(=O)Cc1ccc(OC(F)(F)F)cc1 NS(=O)(=O)C[*:1] O=C(Cc1ccc(cc1)OC(F)(F)F)NC[*:1]
NS(=O)(=O)CCNC(=O)Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] NS(=O)(=O)CCNC(=O)Cc1ccc(cc1)O[*:1]
NS(=O)(=O)CCNC(=O)Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] NS(=O)(=O)CCNC(=O)Cc1ccc(cc1)[*:1]
O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1C[*:1]
O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1[*:1]
CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1[nH]c(C)c(C(C)=O)c1C CC(=O)[*:1] CCN(Cc1ccc2OCCOc2c1)C(=O)c1[nH]c(C)c(c1C)[*:1]
O=C(CN1CCc2nc(NC(=O)c3ccco3)sc2C1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CN1CCc2nc(NC(=O)c3ccco3)sc2C1)N[*:1]
O=C(CN1CCc2nc(NC(=O)c3ccco3)sc2C1)Nc1ccc(Br)cc1 c1coc(c1)[*:1] O=C(CN1CCc2nc(NC(=O)[*:1])sc2C1)Nc1ccc(Br)cc1
O=C(CN1CCc2nc(NC(=O)c3ccco3)sc2C1)Nc1ccc(Br)cc1 O=C(N[*:1])c1ccco1 O=C(CN1CCc2nc(sc2C1)[*:1])Nc1ccc(Br)cc1
Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccno3)ccc1O2 O=C(N[*:1])c1ccno1 Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)[*:1]
Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccno3)ccc1O2 c1cc(on1)[*:1] Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)NC(=O)[*:1]
COC(=O)c1ccsc1NC(=O)c1ccc(SC(C)C)cc1 CC(C)[*:1] COC(=O)c1ccsc1NC(=O)c1ccc(cc1)S[*:1]
COC(=O)c1ccsc1NC(=O)c1ccc(SC(C)C)cc1 CC(C)S[*:1] COC(=O)c1ccsc1NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccsc1NC(=O)c1ccc(SC(C)C)cc1 COC(=O)[*:1] CC(C)Sc1ccc(cc1)C(=O)Nc1sccc1[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nc3cc(C)[nH]c3c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc2nc(SCC(=O)Nc3cccc(F)c3)n(c(=O)c2[nH]1)[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nc3cc(C)[nH]c3c2=O)cc1 O=C(Nc1cccc(F)c1)[*:1] Cc1ccc(cc1)-n1c(nc2cc(C)[nH]c2c1=O)SC[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nc3cc(C)[nH]c3c2=O)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)-n1c(nc2cc(C)[nH]c2c1=O)SCC(=O)N[*:1]
O=C(CCl)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(CCl)N[C@@H]1CCC[C@H](C1)[*:1]
O=C(CCl)N[C@@H]1CCC[C@H](C(F)(F)F)C1 O=C(CCl)N[*:1] FC(F)(F)[C@H]1CCC[C@H](C1)[*:1]
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 Fc1ccc(cc1)[*:1] Cc1nc(C[*:1])sc1C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC1CCN(CC1)C(=O)O[*:1]
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 Fc1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
COc1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1OC Clc1ccccc1OC[*:1] COc1ccc(cc1OC)NC(=O)c1ccc(o1)[*:1]
COc1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)NC(=O)c1ccc(CO[*:1])o1
COc1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1OC Clc1ccccc1O[*:1] COc1ccc(cc1OC)NC(=O)c1ccc(C[*:1])o1
CCc1ccccc1NC(=O)CN1C(=O)COc2ccc(C(=O)N(CC)CC)cc21 CCN(CC)C(=O)[*:1] CCc1ccccc1NC(=O)CN1C(=O)COc2ccc(cc21)[*:1]
CCc1ccccc1NC(=O)CN1C(=O)COc2ccc(C(=O)N(CC)CC)cc21 CCc1ccccc1[*:1] CCN(CC)C(=O)c1ccc2OCC(=O)N(CC(=O)N[*:1])c2c1
Cn1cc(C[NH3+])c(-c2ccc(-c3ccncc3)cc2)n1 c1cc(ccn1)[*:1] Cn1cc(C[NH3+])c(n1)-c1ccc(cc1)[*:1]
CN1CCCc2cc(C(=O)NCc3ccncc3)sc21 c1cc(ccn1)[*:1] CN1CCCc2cc(sc21)C(=O)NC[*:1]
Cc1cc(C2=N/C(=C/c3cccc4c3OCO4)C(=O)O2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C1OC(=N/C1=C/c1cccc2OCOc12)[*:1]
Cn1c(C[NH2+]Cc2csc(CCc3ccccc3)n2)nc2ccccc21 c1ccc(cc1)CC[*:1] Cn1c(C[NH2+]Cc2csc(n2)[*:1])nc2ccccc21
Cn1c(C[NH2+]Cc2csc(CCc3ccccc3)n2)nc2ccccc21 c1ccc(cc1)[*:1] Cn1c(C[NH2+]Cc2csc(CC[*:1])n2)nc2ccccc21
Cn1c(C[NH2+]Cc2csc(CCc3ccccc3)n2)nc2ccccc21 c1ccc(cc1)C[*:1] Cn1c(C[NH2+]Cc2csc(C[*:1])n2)nc2ccccc21
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)[*:1]
O=C(CCCOc1ccccc1Cl)NC1CCC(O)CC1 Clc1ccccc1[*:1] O=C(CCCO[*:1])NC1CCC(O)CC1
O=C(CCCOc1ccccc1Cl)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] O=C(CCCOc1ccccc1Cl)N[*:1]
NC(=O)[C@H](Sc1ncc[nH]1)c1ccccc1 NC(=O)[*:1] c1ccc(cc1)[C@@H](Sc1ncc[nH]1)[*:1]
NC(=O)[C@H](Sc1ncc[nH]1)c1ccccc1 c1c[nH]c(n1)[*:1] NC(=O)[C@H](S[*:1])c1ccccc1
C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(-c2cscn2)cc1 C[C@@H](O)C[*:1] C[C@@H](CNC(=O)c1ccc(cc1)-c1cscn1)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(-c2cscn2)cc1 C[C@@H](O)[*:1] C[C@@H](CNC(=O)c1ccc(cc1)-c1cscn1)C[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(cc1)[*:1]
COC[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COC[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1[*:1]
COC[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 COC[C@@H](O)C[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)N(C)[*:1]
COC[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1C[*:1]
COC[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)N(C)C[C@H](O)[*:1]
COC[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 COC[C@@H](O)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)N(C)C[*:1]
CC(C)=C[C@@H]1[C@@H](C(=O)Nn2c(C)nc3sccc3c2=O)C1(C)C CC(C)=C[*:1] Cc1nc2sccc2c(=O)n1NC(=O)[C@@H]1[C@H](C1(C)C)[*:1]
CC(=O)Nc1cccc([C@H](C)NC(=O)c2nnn[n-]2)c1 CC(=O)N[*:1] C[C@H](NC(=O)c1nnn[n-]1)c1cccc(c1)[*:1]
C[NH+](CCC(N)=O)CCc1cccs1 NC(=O)[*:1] C[NH+](CCc1cccs1)CC[*:1]
C[NH+](CCC(N)=O)CCc1cccs1 NC(=O)C[*:1] C[NH+](CCc1cccs1)C[*:1]
O=C(CCS(=O)(=O)C1CCCC1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 C1CCC(C1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1c(oc2ccccc12)C(=O)N1CCOCC1
O=C(CCS(=O)(=O)C1CCCC1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 O=S(=O)(CC[*:1])C1CCCC1 O=C(c1oc2ccccc2c1NC(=O)[*:1])N1CCOCC1
O=C(CCS(=O)(=O)C1CCCC1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 O=S(=O)(C[*:1])C1CCCC1 O=C(C[*:1])Nc1c(oc2ccccc12)C(=O)N1CCOCC1
O=C(CCS(=O)(=O)C1CCCC1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 O=S(=O)(C1CCCC1)[*:1] O=C(CC[*:1])Nc1c(oc2ccccc12)C(=O)N1CCOCC1
O=C(CCS(=O)(=O)C1CCCC1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 O=C(N1CCOCC1)[*:1] O=C(CCS(=O)(=O)C1CCCC1)Nc1c(oc2ccccc12)[*:1]
COc1cc(C)ccc1C[NH+]1CCc2onc(Nc3cccc(F)c3)c2C1 Fc1cccc(c1)N[*:1] COc1cc(C)ccc1C[NH+]1CCc2onc(c2C1)[*:1]
COc1cc(C)ccc1C[NH+]1CCc2onc(Nc3cccc(F)c3)c2C1 Fc1cccc(c1)[*:1] COc1cc(C)ccc1C[NH+]1CCc2onc(N[*:1])c2C1
COc1cc(C)ccc1C[NH+]1CCc2onc(Nc3cccc(F)c3)c2C1 COc1cc(C)ccc1[*:1] Fc1cccc(c1)Nc1noc2CC[NH+](Cc12)C[*:1]
CC(C)(CNC(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)(CNC(=O)NC1CC[NH+](CC1)CC(N)=O)[*:1]
CC(C)(CNC(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccccc1Cl NC(=O)[*:1] CC(C)(CNC(=O)NC1CC[NH+](CC1)C[*:1])c1ccccc1Cl
CC(C)(CNC(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccccc1Cl NC(=O)C[*:1] CC(C)(CNC(=O)NC1CC[NH+](CC1)[*:1])c1ccccc1Cl
Cc1sc(NC(=O)[C@@H]2COc3ccccc3O2)nc1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)[C@@H]1COc2ccccc2O1
Cc1ccccc1[C@@H]1CN(CC2=CCCOC2)[C@H](C)CO1 Cc1ccccc1[*:1] C[C@@H]1CO[C@@H](CN1CC1=CCCOC1)[*:1]
Cc1c(C(=O)N(C)Cc2cccc(F)c2)sc2nc3n(c(=O)c12)CCCCC3 Fc1cccc(c1)C[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)N(C)[*:1]
Cc1c(C(=O)N(C)Cc2cccc(F)c2)sc2nc3n(c(=O)c12)CCCCC3 Fc1cccc(c1)[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)N(C)C[*:1]
C[C@H]1CS(=O)(=O)C[C@H]1OC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CS(=O)(=O)C[C@H]1OC(=O)CC[*:1]
Cc1ccc(OCC(=O)N[C@H](C)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)OCC(=O)N[C@H](C)[*:1]
Cc1ccc(OCC(=O)N[C@H](C)C(C)C)cc1 CC(C)[C@@H](C)[*:1] Cc1ccc(cc1)OCC(=O)N[*:1]
Nc1nnc(Cn2nnc(-c3ccc(Cl)cc3)n2)s1 Nc1nnc(s1)[*:1] Clc1ccc(cc1)-c1nnn(C[*:1])n1
COc1ccccc1COC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 Fc1ccccc1[*:1] COc1ccccc1COC1CCN(CC1)C(=O)N[C@@H]1C[C@@H]1[*:1]
COc1ccccc1COC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 COc1ccccc1C[*:1] O=C(N[C@@H]1C[C@H]1c1ccccc1F)N1CCC(CC1)O[*:1]
COc1ccccc1COC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)CC1 COc1ccccc1[*:1] O=C(N[C@@H]1C[C@H]1c1ccccc1F)N1CCC(CC1)OC[*:1]
CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccc(F)cc1 CCC[*:1] O=C(N[*:1])N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccc(F)cc1
CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2CCCc12)N[*:1]
CC(=O)c1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=S)NC(c1ccccc1)[*:1]
CC(=O)c1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 CC(=O)[*:1] S=C(Nc1ccc(cc1)[*:1])NC(c1ccccc1)c1ccccc1
Cc1[nH+]c([C@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCCN2Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1[nH+]c(nc2c1CCCN2[*:1])[C@H]1CCCN(C1)S(C)(=O)=O
Cc1[nH+]c([C@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCCN2Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1[nH+]c(nc2c1CCCN2C[*:1])[C@H]1CCCN(C1)S(C)(=O)=O
CC(=O)OCc1nc2ccccc2s1 CC(=O)O[*:1] c1ccc2sc(C[*:1])nc2c1
C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)c1nc(cs1)[*:1]
COC(=O)[C@H]1CCN(C(=O)N2CCC[C@@H]2C(=O)[O-])C1 COC(=O)[*:1] O=C([O-])[C@H]1CCCN1C(=O)N1CC[C@@H](C1)[*:1]
COC(=O)[C@H]1CCN(C(=O)N2CCC[C@@H]2C(=O)[O-])C1 O=C([O-])[*:1] COC(=O)[C@H]1CCN(C1)C(=O)N1CCC[C@H]1[*:1]
CCOC(=O)N1CCN(C(=O)Cc2csc(-c3ccc(CC)cc3)n2)CC1 CCc1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)Cc1csc(n1)[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 Cc1cccc(C)c1[*:1] C[C@H]([NH2+][C@@H](C)c1ccc2OCC(=O)Nc2c1)C(=O)N[*:1]
O=C([O-])CCC(=O)O[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O c1ccc(cc1)[*:1] O=C([O-])CCC(=O)O[C@@H]1N=C(c2cc(Br)ccc2NC1=O)[*:1]
O=C([O-])CCC(=O)O[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O O=C([O-])C[*:1] O=C(C[*:1])O[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O
O=C([O-])CCC(=O)O[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O O=C([O-])[*:1] O=C(CC[*:1])O[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O
O=C([O-])CCC(=O)O[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O O=C([O-])CC[*:1] O=C1Nc2ccc(Br)cc2C(=N[C@H]1OC(=O)[*:1])c1ccccc1
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O Clc1ccccc1C[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2ccccc2c1
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O Clc1ccccc1[*:1] C[C@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1ccc2ccccc2c1
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O c1ccc2cc(ccc2c1)[*:1] C[C@]1(NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O)[*:1]
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1 N#Cc1ccccc1[*:1] CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OC[*:1])c(Br)c1
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1 N#Cc1ccccc1C[*:1] CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(O[*:1])c(Br)c1
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1 CN(C)C(=O)[*:1] N#CC(=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)[*:1]
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1 CN(C)C(=O)C(C#N)=C[*:1] N#Cc1ccccc1COc1c(Cl)cc(cc1Br)[*:1]
CCN(CC)c1ccccc1S(=O)(=O)[O-] CCN(CC)[*:1] O=S(=O)([O-])c1ccccc1[*:1]
CCN(CC)c1ccccc1S(=O)(=O)[O-] O=S(=O)([O-])[*:1] CCN(CC)c1ccccc1[*:1]
C[C@H]([NH2+]C[C@@]1(C)CCCO1)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+]C[C@@]1(C)CCCO1)[*:1]
CCn1c(C)ccc(C(=O)N2CCN(c3ccc(OC)cc3)C(=O)[C@H]2C)c1=O COc1ccc(cc1)[*:1] CCn1c(C)ccc(C(=O)N2CCN(C(=O)[C@H]2C)[*:1])c1=O
CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@]2=O CCC[*:1] O=C(N[*:1])c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@]2=O
CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@]2=O Clc1ccc(cc1)C[*:1] CCCNC(=O)c1ccc2c(c1)N(C(=O)c1ccccc1[S@]2=O)[*:1]
CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@]2=O CCCNC(=O)[*:1] O=C1c2ccccc2[S@@](=O)c2ccc(cc2N1Cc1ccc(Cl)cc1)[*:1]
CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@]2=O Clc1ccc(cc1)[*:1] CCCNC(=O)c1ccc2c(c1)N(C[*:1])C(=O)c1ccccc1[S@]2=O
CO[C@H](C(=O)Nc1c(C(N)=S)cnn1C)c1ccccc1 NC(=S)[*:1] CO[C@H](C(=O)Nc1c(cnn1C)[*:1])c1ccccc1
CO[C@H](C(=O)Nc1c(C(N)=S)cnn1C)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)Nc1c(cnn1C)C(N)=S)[*:1]
COc1ccc(N2CCCS2(=O)=O)cc1NS(C)(=O)=O CS(=O)(=O)N[*:1] COc1ccc(cc1[*:1])N1CCCS1(=O)=O
CC(=O)c1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 CC(=O)[*:1] O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(c1)[*:1]
CN(C[C@@H]1CCCCO1)c1nc(C(F)(F)F)ccc1C[NH3+] C1CC[C@@H](C[*:1])OC1 CN(c1nc(ccc1C[NH3+])C(F)(F)F)[*:1]
CN(C[C@@H]1CCCCO1)c1nc(C(F)(F)F)ccc1C[NH3+] C1CC[C@H](OC1)[*:1] CN(C[*:1])c1nc(ccc1C[NH3+])C(F)(F)F
CN(C[C@@H]1CCCCO1)c1nc(C(F)(F)F)ccc1C[NH3+] FC(F)(F)[*:1] CN(C[C@@H]1CCCCO1)c1nc(ccc1C[NH3+])[*:1]
CC(C)N(C)c1cccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)c1 CC(C)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1CCN(CC1)c1ccccc1
CC(C)N(C)c1cccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CC(C)N(C)c1cccc(c1)NC(=O)C(=O)N1CCN(CC1)[*:1]
CC(C)N(C)c1cccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)c1 CC(C)[*:1] CN(c1cccc(c1)NC(=O)C(=O)N1CCN(CC1)c1ccccc1)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])NCc1nc2ccccc2s1 O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])NCc1nc2ccccc2s1
O=C(CSCc1coc(-c2cccc(F)c2)n1)NCc1ccco1 Fc1cccc(c1)[*:1] O=C(CSCc1coc(n1)[*:1])NCc1ccco1
O=C(CSCc1coc(-c2cccc(F)c2)n1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CSCc1coc(n1)-c1cccc(F)c1)N[*:1]
O=C(CSCc1coc(-c2cccc(F)c2)n1)NCc1ccco1 c1coc(c1)[*:1] O=C(CSCc1coc(n1)-c1cccc(F)c1)NC[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 CCc1ccccc1[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N(C)CC(=O)N[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 CC1CCN(CC1)S(=O)(=O)[*:1] CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(cc1)[*:1]
CN(C1CCCCC1)[C@H](C[NH3+])c1ccccc1C1CC1 C1CC1[*:1] CN(C1CCCCC1)[C@H](C[NH3+])c1ccccc1[*:1]
CN(C1CCCCC1)[C@H](C[NH3+])c1ccccc1C1CC1 C1CCC(CC1)[*:1] CN([C@H](C[NH3+])c1ccccc1C1CC1)[*:1]
Cc1nsc(N2CCN(C(=O)c3ccnc(F)c3)CC2)n1 Cc1nsc(n1)[*:1] O=C(c1ccnc(F)c1)N1CCN(CC1)[*:1]
Cc1nsc(N2CCN(C(=O)c3ccnc(F)c3)CC2)n1 Fc1cc(ccn1)[*:1] Cc1nsc(n1)N1CCN(CC1)C(=O)[*:1]
C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CC=CCC2)CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]C1(CCOCC1)CNC(=O)N[C@H]1CC=CCC1)[*:1]
C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CC=CCC2)CCOCC1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(NCC1(CCOCC1)[NH2+][*:1])N[C@H]1CC=CCC1
Cc1ccc(C)c(O[C@@H](C)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)O[C@@H](C)C(=O)NNC(=O)c1ccc(cc1)[*:1]
Cc1ccc(C)c(O[C@@H](C)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1ccc(cc1)[N+](=O)[O-]
CCc1noc(CC)c1CNC(=O)N(C)[C@@H](C)c1ccccc1F Fc1ccccc1[*:1] CCc1noc(CC)c1CNC(=O)N(C)[C@@H](C)[*:1]
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1c(F)cccc1F c1ccc(cc1)[*:1] O=C(CSc1nnc(C2CC2)n1C[*:1])c1c(F)cccc1F
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1c(F)cccc1F c1ccc(cc1)C[*:1] O=C(CSc1nnc(C2CC2)n1[*:1])c1c(F)cccc1F
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1c(F)cccc1F C1CC1[*:1] O=C(CSc1nnc(n1Cc1ccccc1)[*:1])c1c(F)cccc1F
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)[*:1]
CC(C)[C@H](CO)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C CC(C)[*:1] C[C@H]1CCC[C@@H]([NH2+][C@@H](CO)[*:1])[C@@H]1C
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl O=[N+]([O-])[*:1] N#C/C(=C\c1ccccc1[*:1])C(=O)Nc1cc(Cl)ccc1Cl
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)N[*:1]
NC1=NC(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1 c1ccc(cc1)C[*:1] NC1=NC(=O)N([C@H]1c1ccc(F)cc1)[*:1]
NC1=NC(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1 c1ccc(cc1)[*:1] NC1=NC(=O)N(C[*:1])[C@H]1c1ccc(F)cc1
NC1=NC(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC1=NC(=O)N(Cc2ccccc2)[C@@H]1[*:1]
CCOC(=O)CSc1nnc2c3c4c(sc3nc(CC)n12)C[C@H](C)CC4 CCOC(=O)[*:1] CCc1nc2sc3C[C@H](C)CCc3c2c2nnc(SC[*:1])n12
CCOC(=O)CSc1nnc2c3c4c(sc3nc(CC)n12)C[C@H](C)CC4 CCOC(=O)CS[*:1] CCc1nc2sc3C[C@H](C)CCc3c2c2nnc(n12)[*:1]
CCOC(=O)CSc1nnc2c3c4c(sc3nc(CC)n12)C[C@H](C)CC4 CCOC(=O)C[*:1] CCc1nc2sc3C[C@H](C)CCc3c2c2nnc(S[*:1])n12
Cn1cc[nH+]c1C[C@@H](O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cn1cc[nH+]c1C[C@@H](O)c1cccc(c1)[*:1]
Cc1cc(C)c(NNC(=O)c2cn(-c3ccccc3)nc2C)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NNC(=O)c2cn(nc2C)[*:1])c(C)c1
COc1cccc(CC(=O)N2CCN(Cc3csc(C)n3)CC2)c1 Cc1nc(cs1)C[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)[*:1]
COc1cccc(CC(=O)N2CCN(Cc3csc(C)n3)CC2)c1 COc1cccc(c1)[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)C[*:1]
COc1cccc(CC(=O)N2CCN(Cc3csc(C)n3)CC2)c1 Cc1nc(cs1)[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)C[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 CCOC[*:1] O=C(c1cccc(c1)COc1cccc(F)c1)N1CCC[C@H](C1)[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 Fc1cccc(c1)OC[*:1] CCOC[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 Fc1cccc(c1)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)c1cccc(c1)CO[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 CCO[*:1] O=C(c1cccc(c1)COc1cccc(F)c1)N1CCC[C@H](C1)C[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 Fc1cccc(c1)O[*:1] CCOC[C@@H]1CCCN(C1)C(=O)c1cccc(c1)C[*:1]
CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(F)cc2Cl)C1=O CCC[*:1] O=C1N[C@@](C(=O)N1Cc1ccc(F)cc1Cl)(c1ccccc1)[*:1]
CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(F)cc2Cl)C1=O c1ccc(cc1)[*:1] CCC[C@]1(NC(=O)N(Cc2ccc(F)cc2Cl)C1=O)[*:1]
CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(F)cc2Cl)C1=O Fc1ccc(c(Cl)c1)[*:1] CCC[C@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
CCOC(=O)/C(C#N)=C\N[C@]1(C)CCS(=O)(=O)C1 CCOC(=O)[*:1] C[C@]1(CCS(=O)(=O)C1)NC=C(C#N)[*:1]
O=C([O-])c1cc(SCCn2cccn2)cs1 O=C([O-])[*:1] c1cnn(c1)CCSc1csc(c1)[*:1]
O=C([O-])c1cc(SCCn2cccn2)cs1 c1cnn(c1)[*:1] O=C([O-])c1cc(cs1)SCC[*:1]
C[C@@H]1C[C@H]1NC(=O)NCc1cccc(C(N)=O)c1 NC(=O)[*:1] C[C@@H]1C[C@H]1NC(=O)NCc1cccc(c1)[*:1]
C[C@H]1OCC[C@H]1[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1[C@H]([NH3+])c1ccc(cc1)[*:1]
CC(/C=C/c1ccc(Cl)cc1)=N\O CC(=NO)[*:1] Clc1ccc(C=C[*:1])cc1
C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CC1=O O=C(N1CCCC1)[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
CCN(CC(=O)Nc1ccccc1OC)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O COc1ccccc1[*:1] CCN(CC(=O)N[*:1])C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O
C[NH+](C)Cc1noc([C@H]2C[NH2+]CCO2)n1 C[NH+](C)C[*:1] C1CO[C@H](C[NH2+]1)c1nc(no1)[*:1]
COc1ccc(CNC(=O)NCc2cnn(-c3ccccc3)c2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)CNC(=O)NCc1cnn(c1)[*:1]
Cc1ccc(CC(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)cc1O CN(C)[*:1] Cc1ccc(cc1O)CC(=O)N1CCN(CC1)c1ccnc(n1)[*:1]
Cc1ccc(CC(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)cc1O Cc1ccc(cc1O)[*:1] CN(C)c1nccc(n1)N1CCN(CC1)C(=O)C[*:1]
CCC[NH2+][C@H]1[C@H](OCc2ccccc2)CCCC1(C)C c1ccc(cc1)[*:1] CCC[NH2+][C@H]1[C@@H](CCCC1(C)C)OC[*:1]
CCC[NH2+][C@H]1[C@H](OCc2ccccc2)CCCC1(C)C CCC[*:1] CC1(C)CCC[C@@H](OCc2ccccc2)[C@@H]1[NH2+][*:1]
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)on1 Cc1cc(on1)[*:1] N#Cc1c(NC(=O)[*:1])sc2CCCc21
CN(Cc1ccccc1)C(=O)c1c[nH]c2ccccc2c1=O c1ccc(cc1)C[*:1] CN(C(=O)c1c[nH]c2ccccc2c1=O)[*:1]
CN(Cc1ccccc1)C(=O)c1c[nH]c2ccccc2c1=O c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1c[nH]c2ccccc2c1=O
CN(CCc1cccs1)c1cc2c(cc1Cl)C(=O)C(=O)N2 c1csc(c1)CC[*:1] CN(c1cc2NC(=O)C(=O)c2cc1Cl)[*:1]
CN(CCc1cccs1)c1cc2c(cc1Cl)C(=O)C(=O)N2 c1csc(c1)[*:1] CN(CC[*:1])c1cc2NC(=O)C(=O)c2cc1Cl
CN(CCc1cccs1)c1cc2c(cc1Cl)C(=O)C(=O)N2 c1csc(c1)C[*:1] CN(C[*:1])c1cc2NC(=O)C(=O)c2cc1Cl
C=CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)[*:1]
C=CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1 Cc1cccc(C)c1[*:1] C=CCN(CC(=O)N[*:1])S(=O)(=O)c1ccc(F)cc1
C=CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1 C=CC[*:1] Cc1cccc(C)c1NC(=O)CN(S(=O)(=O)c1ccc(F)cc1)[*:1]
C[C@@H]1CC(NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)C[C@@H](C)O1 c1cnc(nc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)NC(=O)NC[C@@H]1CCCN(C1)[*:1]
C[C@@H](NC(=O)c1ccccc1Br)c1ccc(-n2cncn2)cc1 Brc1ccccc1[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-n1cncn1
C[C@@H](NC(=O)c1ccccc1Br)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H](NC(=O)c1ccccc1Br)c1ccc(cc1)[*:1]
S=c1[nH]nc(Cn2nnc3ccccc32)n1-c1ccccc1 c1ccc(cc1)[*:1] S=c1[nH]nc(Cn2nnc3ccccc32)n1[*:1]
CC(=O)N(C)C1CCN(c2cc[nH+]c3cc(F)ccc23)CC1 CC(=O)N(C)[*:1] Fc1ccc2c(cc[nH+]c2c1)N1CCC(CC1)[*:1]
COc1ccc(Cl)c(NNC(=O)c2cc(-c3ccccc3)[nH]n2)c1 c1ccc(cc1)[*:1] COc1ccc(Cl)c(c1)NNC(=O)c1cc([nH]n1)[*:1]
Cc1nc2ccc(N(C)C(=O)c3csnn3)cc2s1 c1snnc1[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)C2)c1 CCOC(=O)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
CC[C@@H]1CCCN1C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H]1CCCN1C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cccnc3)cc2C1 c1cncc(c1)[*:1] CC(=O)N1CCc2ccc(cc2C1)[N-]S(=O)(=O)[*:1]
C#CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 C#CC[*:1] Cc1nn(-c2nncc(n2)-c2ccccc2)c2NC(=O)C[C@H](c3cccc(c3)O[*:1])c12
C#CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 C#CCO[*:1] Cc1nn(-c2nncc(n2)-c2ccccc2)c2NC(=O)C[C@H](c3cccc(c3)[*:1])c12
C#CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] C#CCOc1cccc(c1)[C@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(n1)[*:1]
C#CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 C#CCOc1cccc(c1)[*:1] Cc1nn(-c2nncc(n2)-c2ccccc2)c2NC(=O)C[C@@H](c12)[*:1]
O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CC[NH+]1CCC(CC1)C[NH+]1CCCC1)N[*:1]
Cc1ncc([C@@H](C)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 Cc1ncc(s1)[*:1] C[C@H]1C[C@H](C)C[NH+](CCCN[C@H](C)[*:1])C1
[NH3+]CCCOC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 [NH3+]CCCO[*:1] O=[N+]([O-])c1ccccc1CN1CCC(CC1)[*:1]
[NH3+]CCCOC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] [NH3+]CCCOC1CCN(CC1)Cc1ccccc1[*:1]
C[C@H]([NH2+]CC1(CO)COC1)c1nc2ccc(Cl)cc2n1C OCC1(COC1)[*:1] C[C@H]([NH2+]C[*:1])c1nc2ccc(Cl)cc2n1C
C[C@H](CCl)CS(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 C[C@H](CCl)[*:1] O=S(=O)(C[*:1])[N-]c1ccc2OC(F)(F)Oc2c1
C[C@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1c(F)cccc1Cl)C1CC1 C1CC1[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1c(F)cccc1Cl)[*:1]
C[C@H]1COC[C@H](C)N1Cc1[nH]cc(-c2cccc(Br)c2)[nH+]1 Brc1cccc(c1)[*:1] C[C@H]1COC[C@H](C)N1Cc1[nH]cc([nH+]1)[*:1]
CCCCN(C)C(=O)C1CCN(/C(=C/C#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCCCN(C)C(=O)C1CCN(CC1)/C(=C/C#N)[*:1]
CCCCN(C)C(=O)C1CCN(/C(=C/C#N)c2ccccc2)CC1 CCCCN(C)C(=O)[*:1] N#C/C=C(\c1ccccc1)N1CCC(CC1)[*:1]
CCCCN(C)C(=O)C1CCN(/C(=C/C#N)c2ccccc2)CC1 CCC[*:1] CN(C[*:1])C(=O)C1CCN(CC1)/C(=C/C#N)c1ccccc1
CCCCN(C)C(=O)C1CCN(/C(=C/C#N)c2ccccc2)CC1 CCCC[*:1] CN(C(=O)C1CCN(CC1)/C(=C/C#N)c1ccccc1)[*:1]
O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1-c1cncnc1 C1CC1[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])c1ccccc1-c1cncnc1
O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1-c1cncnc1 c1ncc(cn1)[*:1] O=C(Nc1ccc2oc(nc2c1)C1CC1)c1ccccc1[*:1]
CCNC(=O)Cn1cnc2cc(-c3ccc(OC)cc3)sc2c1=O COc1ccc(cc1)[*:1] CCNC(=O)Cn1cnc2cc(sc2c1=O)[*:1]
CCNC(=O)Cn1cnc2cc(-c3ccc(OC)cc3)sc2c1=O CCNC(=O)C[*:1] COc1ccc(cc1)-c1cc2ncn(c(=O)c2s1)[*:1]
CCNC(=O)Cn1cnc2cc(-c3ccc(OC)cc3)sc2c1=O CCNC(=O)[*:1] COc1ccc(cc1)-c1cc2ncn(C[*:1])c(=O)c2s1
COC(=O)[C@]1(NC(=O)c2cc(-c3ccc(C)cc3)no2)CCOC1 COC(=O)[*:1] Cc1ccc(cc1)-c1cc(on1)C(=O)N[C@@]1(CCOC1)[*:1]
COC(=O)[C@]1(NC(=O)c2cc(-c3ccc(C)cc3)no2)CCOC1 Cc1ccc(cc1)[*:1] COC(=O)[C@@]1(CCOC1)NC(=O)c1cc(no1)[*:1]
CC(=O)C[C@@H]1CCCN1S(=O)(=O)N1CCCC1 CC(=O)[*:1] O=S(=O)(N1CCCC1)N1CCC[C@H]1C[*:1]
CC(=O)C[C@@H]1CCCN1S(=O)(=O)N1CCCC1 CC(=O)C[*:1] O=S(=O)(N1CCCC1)N1CCC[C@H]1[*:1]
CCOC(=O)c1noc2nc(C)nc(N3CCN(c4ccc(C)cc4C)CC3)c12 Cc1ccc(c(C)c1)[*:1] CCOC(=O)c1noc2nc(C)nc(c12)N1CCN(CC1)[*:1]
CCOC(=O)c1noc2nc(C)nc(N3CCN(c4ccc(C)cc4C)CC3)c12 CCOC(=O)[*:1] Cc1ccc(c(C)c1)N1CCN(CC1)c1nc(C)nc2onc(c12)[*:1]
C[C@H]1OCC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)CO[*:1] C[C@H]1OCC[C@@H]1NC(=O)c1cc(c2ccccc2n1)[*:1]
C[C@H]1OCC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)C[*:1] C[C@H]1OCC[C@@H]1NC(=O)c1cc(O[*:1])c2ccccc2n1
C[C@H]1OCC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)[*:1] C[C@H]1OCC[C@@H]1NC(=O)c1cc(OC[*:1])c2ccccc2n1
CCn1nc(C(=O)N[C@@H](C)c2cccs2)c2ccccc2c1=O C[C@@H](c1cccs1)[*:1] CCn1nc(C(=O)N[*:1])c2ccccc2c1=O
CCn1nc(C(=O)N[C@@H](C)c2cccs2)c2ccccc2c1=O c1csc(c1)[*:1] CCn1nc(C(=O)N[C@@H](C)[*:1])c2ccccc2c1=O
CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 c1ccc2oc(cc2c1)[*:1] CCNS(=O)(=O)c1ccc(C)c(c1)C(=O)Nc1nc(cs1)[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 CCNS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)Nc1nc(cs1)-c1cc2ccccc2o1)[*:1]
CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](CC(N)=O)C2)c1 NC(=O)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@@H](C1)C[*:1]
CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](CC(N)=O)C2)c1 NC(=O)C[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](CC(N)=O)C2)c1 CC(=O)[*:1] NC(=O)C[C@H]1CCCN(C1)S(=O)(=O)c1cccc(c1)[*:1]
CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCC2 CC(C)[*:1] O=[N+]([O-])c1ccc(cc1)N[C@H](c1nnc2CCCn21)[*:1]
CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCC2 O=[N+]([O-])[*:1] CC(C)[C@H](Nc1ccc(cc1)[*:1])c1nnc2CCCn21
C[NH2+][C@@H](C)c1cccc(S(=O)(=O)[N-]c2cccnc2C)c1 Cc1ncccc1[*:1] C[NH2+][C@@H](C)c1cccc(c1)S(=O)(=O)[N-][*:1]
COc1ccc(OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
COc1ccc(OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)OCC(=O)N1CCN(CC1)[*:1]
COc1ccc(OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)N1CCN(CC1)C[*:1]
Cc1ccccc1[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C Cc1ccccc1[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[*:1]
COc1cccc(F)c1-c1cc(N)nc(N2CCCC2)[nH+]1 C1CCN(C1)[*:1] COc1cccc(F)c1-c1cc(N)nc([nH+]1)[*:1]
Cc1ccc(SCC(=O)c2cc(C)n(C3CC3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1C1CC1
Cc1ccc(SCC(=O)c2cc(C)n(C3CC3)c2C)cc1 C1CC1[*:1] Cc1ccc(cc1)SCC(=O)c1cc(C)n(c1C)[*:1]
CC(C)(C)[NH2+]Cc1cnn(Cc2nccs2)c1 CC(C)(C)[*:1] c1csc(Cn2cc(cn2)C[NH2+][*:1])n1
CC(C)(C)[NH2+]Cc1cnn(Cc2nccs2)c1 c1csc(n1)[*:1] CC(C)(C)[NH2+]Cc1cnn(c1)C[*:1]
CCNc1cccc(CSc2ccc(C(C)C)cc2)n1 CCN[*:1] CC(C)c1ccc(cc1)SCc1cccc(n1)[*:1]
CCNc1cccc(CSc2ccc(C(C)C)cc2)n1 CC(C)[*:1] CCNc1cccc(CSc2ccc(cc2)[*:1])n1
C[C@H](Sc1nc2ccccc2n1C(F)F)C(=O)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H](Sc1nc2ccccc2n1C(F)F)C(=O)N[*:1]
C[C@H](Sc1nc2ccccc2n1C(F)F)C(=O)N[C@@H]1CCS(=O)(=O)C1 FC(F)[*:1] C[C@H](Sc1nc2ccccc2n1[*:1])C(=O)N[C@@H]1CCS(=O)(=O)C1
COc1ccc(F)cc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 O=C(N[*:1])c1ccccc1 COc1ccc(F)cc1NC(=O)Cc1csc(n1)[*:1]
COc1ccc(F)cc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)Cc1csc(n1)NC(=O)[*:1]
COc1ccc(F)cc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 COc1ccc(F)cc1[*:1] O=C(Cc1csc(n1)NC(=O)c1ccccc1)N[*:1]
[NH3+]CCn1nnc2cc(S(=O)(=O)N3CCOCC3)ccc21 [NH3+]CC[*:1] O=S(=O)(c1ccc2c(c1)nnn2[*:1])N1CCOCC1
COCC[NH2+]CC[C@@H]1CCOC2(CCCCC2)C1 COC[*:1] C1CCC2(CC1)C[C@H](CC[NH2+]C[*:1])CCO2
COCC[NH2+]CC[C@@H]1CCOC2(CCCCC2)C1 COCC[*:1] C1CCC2(CC1)C[C@H](CC[NH2+][*:1])CCO2
COc1cc(NC(=O)c2c(Cl)cccc2Cl)c(OC)cc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 COc1cc(c(cc1NC(=O)c1c(Cl)cccc1Cl)OC)[*:1]
COc1cc(NC(=O)c2c(Cl)cccc2Cl)c(OC)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(NC(=O)[*:1])c(cc1NC(=O)c1c(Cl)cccc1Cl)OC
COc1cc(NC(=O)c2c(Cl)cccc2Cl)c(OC)cc1NC(=O)c1ccccc1 Clc1cccc(Cl)c1[*:1] COc1cc(NC(=O)[*:1])c(cc1NC(=O)c1ccccc1)OC
C=CCOc1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCOCC3)C2)c1 C=CC[*:1] O=C(CC[C@H]1CCCN(C1)C(=O)c1cccc(c1)O[*:1])N1CCOCC1
C=CCOc1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCOCC3)C2)c1 C=CCO[*:1] O=C(CC[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1])N1CCOCC1
C=CCOc1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCOCC3)C2)c1 O=C(N1CCOCC1)[*:1] C=CCOc1cccc(c1)C(=O)N1CCC[C@H](CC[*:1])C1
C=CCOc1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCOCC3)C2)c1 O=C(C[*:1])N1CCOCC1 C=CCOc1cccc(c1)C(=O)N1CCC[C@@H](C1)C[*:1]
O=C1C[C@](O)(C(F)F)CCO1 FC(F)[*:1] O=C1C[C@](O)(CCO1)[*:1]
CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 O=C1NCCN1[*:1] CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(c1)[*:1]
CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 CC(C)[C@H](C)[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)N1CCNC1=O
CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 CC(C)[*:1] C[C@H](NC(=O)c1ccc(Cl)c(c1)N1CCNC1=O)[*:1]
CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1ccc2ccccc2c1 CNS(=O)(=O)C[*:1] O=C(Cc1ccc2ccccc2c1)NCc1ccccc1[*:1]
CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1ccc2ccccc2c1 CNS(=O)(=O)[*:1] O=C(Cc1ccc2ccccc2c1)NCc1ccccc1C[*:1]
C[C@H](NC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1)c1cnn(C)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@@H](C)c1nc(C[*:1])no1)c1cnn(C)c1
C[C@H](NC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])c1nc(Cc2ccccc2)no1
C[C@H](NC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1)c1cnn(C)c1 C[C@H](c1cnn(C)c1)[*:1] C[C@H](NC(=O)N[*:1])c1nc(Cc2ccccc2)no1
C[C@H](NC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1)c1cnn(C)c1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N[C@@H](C)c1nc(no1)[*:1])c1cnn(C)c1
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1ccncc1 c1cc(ccn1)[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CS[*:1]
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1ccncc1 c1cc(ccn1)S[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[*:1]
CC(C)(C)C1CCN(S(=O)(=O)NCCNC(=O)c2cccs2)CC1 O=C(N[*:1])c1cccs1 CC(C)(C)C1CCN(CC1)S(=O)(=O)NCC[*:1]
CC(C)(C)C1CCN(S(=O)(=O)NCCNC(=O)c2cccs2)CC1 c1csc(c1)[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)NCCNC(=O)[*:1]
CC(C)(C)C1CCN(S(=O)(=O)NCCNC(=O)c2cccs2)CC1 CC(C)(C)[*:1] O=C(NCCNS(=O)(=O)N1CCC(CC1)[*:1])c1cccs1
C[S@](=O)c1ccc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cc1 C[S@](=O)[*:1] O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(cc1)[*:1]
CC[C@@H](C(=O)N(C)c1ccc(C[NH3+])cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N(C)c1ccc(cc1)C[NH3+])[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)NCC(=O)OC COC(=O)C[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)NCC(=O)OC COC(=O)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)NC[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCC[C@H]1CNC(=O)c1ccc(cc1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCC[C@H]1CNC(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NC[C@@H]1CCCN1S(=O)(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1ccccc1S(=O)(=O)Cc1csc([C@@H](C)OC)n1 CO[C@H](C)[*:1] COc1ccccc1S(=O)(=O)Cc1csc(n1)[*:1]
C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1 FC(F)(F)[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])N1CC[NH+](C)CC1
O=C(Cc1ccc(Cl)cc1)NCc1csc(C2CC2)n1 C1CC1[*:1] O=C(Cc1ccc(Cl)cc1)NCc1csc(n1)[*:1]
Cc1ccn2c([C@@H]3C[C@H]3C(=O)[O-])nnc2c1 O=C([O-])[*:1] Cc1ccn2c(nnc2c1)[C@@H]1C[C@@H]1[*:1]
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C#N)cc1 CCOc1ccccc1[*:1] C[C@@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)N[*:1])cc1
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C#N)cc1 CCO[*:1] C[C@@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2[*:1])cc1
O=C(c1cccc(O)c1)N1CC[NH+]([C@H]2CCC[C@H](C3CC3)C2)CC1 C1CC1[*:1] O=C(c1cccc(O)c1)N1CC[NH+](CC1)[C@H]1CCC[C@H](C1)[*:1]
O=C(c1cccc(O)c1)N1CC[NH+]([C@H]2CCC[C@H](C3CC3)C2)CC1 Oc1cccc(c1)[*:1] O=C(N1CC[NH+](CC1)[C@H]1CCC[C@@H](C1)C1CC1)[*:1]
CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1c(F)cccc1F CC(C)[C@@H](O)[*:1] C[C@H]([NH2+]CC(C)(C)[*:1])c1c(F)cccc1F
CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1c(F)cccc1F CC(C)[*:1] C[C@H]([NH2+]CC(C)(C)[C@H](O)[*:1])c1c(F)cccc1F
Cn1ccnc1[C@](O)(CC(=O)Nc1ccc2c(c1)CCC2)C(F)(F)F Cn1ccnc1[*:1] O=C(C[C@@](O)(C(F)(F)F)[*:1])Nc1ccc2CCCc2c1
Cn1ccnc1[C@](O)(CC(=O)Nc1ccc2c(c1)CCC2)C(F)(F)F FC(F)(F)[*:1] Cn1ccnc1[C@](O)(CC(=O)Nc1ccc2CCCc2c1)[*:1]
C[NH+](C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[*:1]
C[NH+](C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)c1ccc(F)cc1 O=C1NC[C@H](N1)[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])c1ccc(F)cc1
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2nc(-c3ccccc3)cs2)C1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1nc(cs1)[*:1]
CCOC(=O)[C@]1(C(=O)NC)O[C@H]1c1ccccc1 CNC(=O)[*:1] CCOC(=O)[C@@]1(O[C@H]1c1ccccc1)[*:1]
CCOC(=O)[C@]1(C(=O)NC)O[C@H]1c1ccccc1 CCOC(=O)[*:1] CNC(=O)[C@@]1(O[C@H]1c1ccccc1)[*:1]
CCOC(=O)[C@]1(C(=O)NC)O[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@@]1(O[C@@H]1[*:1])C(=O)NC
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)-c1ccccc1C2 O=S(=O)(N1CCOCC1)[*:1] O=C(COC(=O)c1ccc(F)c(c1)[*:1])c1ccc2Cc3ccccc3-c2c1
Cc1cc(C)cc(NC(=O)c2c(-c3cccc(F)c3)noc2C)c1 Fc1cccc(c1)[*:1] Cc1cc(C)cc(c1)NC(=O)c1c(noc1C)[*:1]
Cc1cc(C)cc(NC(=O)c2c(-c3cccc(F)c3)noc2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1onc(-c2cccc(F)c2)c1C(=O)N[*:1]
Cc1ccc(SC2(C(=O)N[C@H]3CCC(=O)N(C)C3)CCCC2)cc1 Cc1ccc(cc1)S[*:1] CN1C[C@H](CCC1=O)NC(=O)C1(CCCC1)[*:1]
Cc1ccc(SC2(C(=O)N[C@H]3CCC(=O)N(C)C3)CCCC2)cc1 Cc1ccc(cc1)[*:1] CN1C[C@H](CCC1=O)NC(=O)C1(CCCC1)S[*:1]
COc1ccccc1CNc1nc(-c2ccc(NS(C)(=O)=O)cc2)c(C)s1 CS(=O)(=O)N[*:1] COc1ccccc1CNc1nc(-c2ccc(cc2)[*:1])c(C)s1
COc1ccccc1CNc1nc(-c2ccc(NS(C)(=O)=O)cc2)c(C)s1 COc1ccccc1[*:1] Cc1sc(nc1-c1ccc(cc1)NS(C)(=O)=O)NC[*:1]
COc1ccccc1CNc1nc(-c2ccc(NS(C)(=O)=O)cc2)c(C)s1 COc1ccccc1C[*:1] Cc1sc(nc1-c1ccc(cc1)NS(C)(=O)=O)N[*:1]
N#Cc1ccc(-c2ccc(OCC(=O)N3N=CC[C@]3(O)C(F)(F)F)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(COc1ccc(cc1)[*:1])N1N=CC[C@]1(O)C(F)(F)F
N#Cc1ccc(-c2ccc(OCC(=O)N3N=CC[C@]3(O)C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)-c1ccc(cc1)OCC(=O)N1N=CC[C@@]1(O)[*:1]
CC(C)[C@H](c1cccs1)N1CC(=O)CC1=O c1csc(c1)[*:1] CC(C)[C@H](N1CC(=O)CC1=O)[*:1]
CC(C)[C@H](c1cccs1)N1CC(=O)CC1=O CC(C)[*:1] O=C1CC(=O)N(C1)[C@@H](c1cccs1)[*:1]
C[NH+](CC(=O)NCc1cccc(NC(=O)C2CC2)c1)C1CCCCC1 O=C(N[*:1])C1CC1 C[NH+](CC(=O)NCc1cccc(c1)[*:1])C1CCCCC1
C[NH+](CC(=O)NCc1cccc(NC(=O)C2CC2)c1)C1CCCCC1 C1CC1[*:1] C[NH+](CC(=O)NCc1cccc(c1)NC(=O)[*:1])C1CCCCC1
COc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CCCCN1S(=O)(=O)[*:1]
COc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
CCC[NH2+]CC1(C(C)C)CC1 CCC[*:1] CC(C)C1(CC1)C[NH2+][*:1]
CCC[NH2+]CC1(C(C)C)CC1 CC(C)[*:1] CCC[NH2+]CC1(CC1)[*:1]
CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(OC)ccc1Br CCC[*:1] COc1ccc(Br)c(c1)C(=O)N(CC(=O)Nc1ccccc1C)[*:1]
CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(OC)ccc1Br Cc1ccccc1[*:1] CCCN(CC(=O)N[*:1])C(=O)c1cc(ccc1Br)OC
CCc1ccc(O)c(C(=O)N(CCO)CCc2ccccc2)c1 c1ccc(cc1)C[*:1] CCc1ccc(O)c(c1)C(=O)N(CCO)C[*:1]
CCc1ccc(O)c(C(=O)N(CCO)CCc2ccccc2)c1 OCC[*:1] CCc1ccc(O)c(c1)C(=O)N(CCc1ccccc1)[*:1]
CCc1ccc(O)c(C(=O)N(CCO)CCc2ccccc2)c1 c1ccc(cc1)[*:1] CCc1ccc(O)c(c1)C(=O)N(CCO)CC[*:1]
C[C@@H]1[C@@H](NC(=O)C2CCCCC2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@@H]12 O=C(N[*:1])C1CCCCC1 C[C@H]1[C@@H]2[C@@H](O)[C@H](CC[C@@]2(C)CC[C@H]1[*:1])[C@H](C)C(=O)NCc1cccnc1
C[C@@H]1[C@@H](NC(=O)C2CCCCC2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@@H]12 c1cncc(c1)C[*:1] C[C@@H]1[C@H](CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N[*:1])[C@H](O)[C@@H]12)NC(=O)C1CCCCC1
C[C@@H]1[C@@H](NC(=O)C2CCCCC2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@@H]12 O=C(NCc1cccnc1)[*:1] C[C@@H]1[C@H](CC[C@]2(C)CC[C@@H]([C@H](O)[C@@H]12)[C@H](C)[*:1])NC(=O)C1CCCCC1
C[C@@H]1[C@@H](NC(=O)C2CCCCC2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@@H]12 c1cncc(c1)[*:1] C[C@@H]1[C@H](CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC[*:1])[C@H](O)[C@@H]12)NC(=O)C1CCCCC1
C[C@@H]1[C@@H](NC(=O)C2CCCCC2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@@H]12 C1CCC(CC1)[*:1] C[C@@H]1[C@H](CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@@H]12)NC(=O)[*:1]
NC(=O)[C@@H]1CCCN1c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 c1cncc(c1)[*:1] NC(=O)[C@@H]1CCCN1c1nc(nc2scc(-c3ccccc3)c12)[*:1]
NC(=O)[C@@H]1CCCN1c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 NC(=O)[*:1] c1ccc(cc1)-c1csc2nc(nc(c12)N1CCC[C@H]1[*:1])-c1cccnc1
NC(=O)[C@@H]1CCCN1c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CCCN1c1nc(nc2scc(c12)[*:1])-c1cccnc1
CC[NH2+][C@H]1CC[C@H](Oc2ccc(CCOC)cc2)C1 COC[*:1] CC[NH2+][C@H]1CC[C@@H](C1)Oc1ccc(cc1)C[*:1]
CC[NH2+][C@H]1CC[C@H](Oc2ccc(CCOC)cc2)C1 COCC[*:1] CC[NH2+][C@H]1CC[C@@H](C1)Oc1ccc(cc1)[*:1]
Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(F)cc2F)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N[C@H](C(=O)Nc1ccc(F)cc1F)[*:1]
Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(F)cc2F)C(C)C)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)C(=O)N[C@H](C(=O)N[*:1])C(C)C
Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(F)cc2F)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1ccc(F)cc1F
O=C(C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(F)cc1 FC(F)(F)[*:1] O=C(C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1])Nc1ccc(F)cc1
O=C(C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F)N[*:1]
O=C(C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=S(=O)(c1ccc(cc1)C(F)(F)F)N1CC[NH+](CC1)C[*:1]
O=C(C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(F)cc1 FC(F)(F)c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)S(=O)(=O)[*:1])Nc1ccc(F)cc1
O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)C1CC1 C1CC1[*:1] O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)[*:1]
C[C@H](NC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
CN(Cc1ccncc1)C(=O)NCc1ccnc(OC2CCCC2)c1 c1cc(ccn1)C[*:1] CN(C(=O)NCc1ccnc(c1)OC1CCCC1)[*:1]
CN(Cc1ccncc1)C(=O)NCc1ccnc(OC2CCCC2)c1 c1cc(ccn1)[*:1] CN(C[*:1])C(=O)NCc1ccnc(c1)OC1CCCC1
CN(Cc1ccncc1)C(=O)NCc1ccnc(OC2CCCC2)c1 C1CCC(C1)O[*:1] CN(Cc1ccncc1)C(=O)NCc1ccnc(c1)[*:1]
CN(Cc1ccncc1)C(=O)NCc1ccnc(OC2CCCC2)c1 C1CCC(C1)[*:1] CN(Cc1ccncc1)C(=O)NCc1ccnc(c1)O[*:1]
O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)Nc1nonc1N2 Clc1ccc(cc1)[*:1] O=C1CCCC2Nc3nonc3N[C@H](C=21)[*:1]
CCOC(=O)c1[nH]c(C)c(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1C CCOC(=O)[*:1] COc1c2OCOc2cc2CCN(C)[C@@H](CC(=O)c3c(C)[nH]c(c3C)[*:1])c21
COc1ncccc1C(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] COc1ncccc1C(=O)N1CCC2(CC1)C[C@@H]2[*:1]
COc1ncccc1C(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1ccccc1 COc1ncccc1[*:1] O=C(Nc1ccccc1)[C@@H]1CC12CCN(CC2)C(=O)[*:1]
COc1ncccc1C(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] COc1ncccc1C(=O)N1CCC2(CC1)C[C@H]2C(=O)N[*:1]
C[C@H]1CN(Cc2cccc(OC(F)F)c2)C(C)(C)CO1 FC(F)O[*:1] C[C@H]1CN(Cc2cccc(c2)[*:1])C(C)(C)CO1
C[C@H]1CN(Cc2cccc(OC(F)F)c2)C(C)(C)CO1 FC(F)[*:1] C[C@H]1CN(Cc2cccc(c2)O[*:1])C(C)(C)CO1
Cc1ccccc1[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)C(C)(C)C Cc1ccccc1[*:1] CN1CC[C@@H](NC(=O)N[C@@H](C(C)(C)C)[*:1])C1=O
Cc1ccccc1[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)C(C)(C)C CN1CC[C@H](C1=O)[*:1] Cc1ccccc1[C@@H](NC(=O)N[*:1])C(C)(C)C
Cc1ccccc1[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)[*:1]
Cc1csc(C[S@@](=O)c2n[nH]c(=O)n2C[C@@H]2CCCO2)n1 C1CO[C@@H](C1)[*:1] Cc1csc(C[S@@](=O)c2n[nH]c(=O)n2C[*:1])n1
Cc1csc(C[S@@](=O)c2n[nH]c(=O)n2C[C@@H]2CCCO2)n1 Cc1csc(n1)[*:1] O=c1[nH]nc(n1C[C@@H]1CCCO1)[S@](=O)C[*:1]
Cc1csc(C[S@@](=O)c2n[nH]c(=O)n2C[C@@H]2CCCO2)n1 C1CO[C@@H](C1)C[*:1] Cc1csc(C[S@@](=O)c2n[nH]c(=O)n2[*:1])n1
Cc1csc(C[S@@](=O)c2n[nH]c(=O)n2C[C@@H]2CCCO2)n1 Cc1csc(C[*:1])n1 O=c1[nH]nc(n1C[C@@H]1CCCO1)[S@](=O)[*:1]
COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 COc1ccc(Cl)cc1[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)c1ccc(F)cc1
COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCN(CC1)[*:1]
CCO[C@@H](C)c1noc(CN2CCCc3cccc(CC)c32)n1 CCO[C@@H](C)[*:1] CCc1cccc2CCCN(Cc3nc(no3)[*:1])c12
CCO[C@@H](C)c1noc(CN2CCCc3cccc(CC)c32)n1 CCO[*:1] CCc1cccc2CCCN(Cc3nc(no3)[C@H](C)[*:1])c12
CC[C@H](C)c1cc(N)c(OC[C@H]2CCCO2)c(Br)c1 C1CO[C@H](C1)[*:1] CC[C@H](C)c1cc(N)c(OC[*:1])c(Br)c1
CC[C@H](C)c1cc(N)c(OC[C@H]2CCCO2)c(Br)c1 C1CO[C@H](C1)C[*:1] CC[C@H](C)c1cc(N)c(O[*:1])c(Br)c1
CC[C@H](C)c1cc(N)c(OC[C@H]2CCCO2)c(Br)c1 CC[C@H](C)[*:1] Nc1cc(cc(Br)c1OC[C@H]1CCCO1)[*:1]
COC(=O)c1ccc(C(=O)Nc2nc3ccc(C(=O)N4CCCCC4)cc3s2)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(c1ccc2nc(NC(=O)[*:1])sc2c1)N1CCCCC1
COC(=O)c1ccc(C(=O)Nc2nc3ccc(C(=O)N4CCCCC4)cc3s2)cc1 COC(=O)[*:1] O=C(Nc1nc2ccc(cc2s1)C(=O)N1CCCCC1)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)Nc2nc3ccc(C(=O)N4CCCCC4)cc3s2)cc1 O=C(N1CCCCC1)[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CCOc1c(Br)cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])C(=O)N1C[C@@H](C)O[C@H](C)C1
CNC(=O)/C(C#N)=C([O-])\C=C\c1ccc(OCC(C)C)c(OC)c1 CNC(=O)[*:1] COc1cc(/C=C/C(/[O-])=C(C#N)[*:1])ccc1OCC(C)C
CNC(=O)/C(C#N)=C([O-])\C=C\c1ccc(OCC(C)C)c(OC)c1 CC(C)C[*:1] CNC(=O)/C(C#N)=C([O-])\C=C\c1ccc(O[*:1])c(c1)OC
CNC(=O)/C(C#N)=C([O-])\C=C\c1ccc(OCC(C)C)c(OC)c1 CC(C)[*:1] CNC(=O)/C(C#N)=C([O-])\C=C\c1ccc(OC[*:1])c(c1)OC
CNC(=O)/C(C#N)=C([O-])\C=C\c1ccc(OCC(C)C)c(OC)c1 CC(C)CO[*:1] CNC(=O)/C(C#N)=C([O-])\C=C\c1ccc(c(c1)OC)[*:1]
CCOC(=O)c1cccc(N2CCC(CO)CC2)n1 CCOC(=O)[*:1] OCC1CCN(CC1)c1cccc(n1)[*:1]
COC(=O)C1(NC(=O)c2cnc(-c3ccccc3)s2)CCCCC1 COC(=O)[*:1] O=C(NC1(CCCCC1)[*:1])c1cnc(s1)-c1ccccc1
COC(=O)C1(NC(=O)c2cnc(-c3ccccc3)s2)CCCCC1 c1ccc(cc1)[*:1] COC(=O)C1(CCCCC1)NC(=O)c1cnc(s1)[*:1]
CCCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2ccccc2-c2cccs2)C1=O Cn1nccc1[*:1] CCCN1CCN(C[C@H](Cc2ccccc2-c2cccs2)C1=O)C(=O)[*:1]
CCCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2ccccc2-c2cccs2)C1=O CCC[*:1] Cn1nccc1C(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2-c2cccs2)C1)[*:1]
CCCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2ccccc2-c2cccs2)C1=O c1csc(c1)[*:1] CCCN1CCN(C[C@H](Cc2ccccc2[*:1])C1=O)C(=O)c1ccnn1C
CCc1cnc(CCNC(=O)c2ccccc2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] CCc1cnc(CCNC(=O)c2ccccc2[*:1])s1
CCc1cnc(CCNC(=O)c2ccccc2[N+](=O)[O-])s1 CCc1cnc(s1)[*:1] O=C(NCC[*:1])c1ccccc1[N+](=O)[O-]
NC(=O)NC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)NC(=O)N/N=C/c1cccc(c1)[*:1]
O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1cccc(c1)[*:1]
O=C(NC[C@@H]1CCCO1)c1cc(Br)c2c(c1)OCCO2 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])c1cc(Br)c2OCCOc2c1
O=C(NC[C@@H]1CCCO1)c1cc(Br)c2c(c1)OCCO2 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])c1cc(Br)c2OCCOc2c1
Cc1ccc(NC(=O)C2CCC(CNS(C)(=O)=O)CC2)cc1F CS(=O)(=O)N[*:1] Cc1ccc(cc1F)NC(=O)C1CCC(CC1)C[*:1]
Cc1ccc(NC(=O)C2CCC(CNS(C)(=O)=O)CC2)cc1F CS(=O)(=O)NC[*:1] Cc1ccc(cc1F)NC(=O)C1CCC(CC1)[*:1]
Cc1ccccc1CNC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1ccccc1CNC(=O)NC1CCC(CC1)C(=O)O[*:1]
Cc1ccccc1CNC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 Cc1ccccc1C[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)N[*:1]
Cc1ccccc1CNC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 Cc1ccccc1[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)NC[*:1]
Cc1ccccc1CNC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)[*:1] Cc1ccccc1CNC(=O)NC1CCC(CC1)[*:1]
c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)CN(C[*:1])c1ccccc1
c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)CN(Cc1ccccc1)[*:1]
c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)CN(c1ccccc1)[*:1]
Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] Cc1cc(O)c(cc1NC(=O)[*:1])C(C)C
Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccccc1Cl CC(C)[*:1] Cc1cc(O)c(cc1NC(=O)c1ccccc1Cl)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 CC(=O)N[*:1] O=C(/C=C/c1ccco1)N1CCC(CC1)C[*:1]
CC(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 c1coc(c1)[*:1] CC(=O)NCC1CCN(CC1)C(=O)C=C[*:1]
CC(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 CC(=O)NC[*:1] O=C(/C=C/c1ccco1)N1CCC(CC1)[*:1]
CC(C)CC(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2 CC(C)[*:1] O=C(C[*:1])NC(=S)NC12CC3CC(CC(C3)C1)C2
CC(C)CC(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2 CC(C)C[*:1] O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)[*:1]
CC(C)[NH+](CCNC(=O)N[C@H](C)c1ccc(F)c(F)c1)C(C)C CC(C)[*:1] CC(C)[NH+](CCNC(=O)N[C@H](C)c1ccc(F)c(F)c1)[*:1]
Cc1cc(F)cc(C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cc(F)cc(c1)C(=O)N(C)C[C@H](O)C[*:1]
Cc1cc(F)cc(C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 C1CN(CCO1)C[*:1] Cc1cc(F)cc(c1)C(=O)N(C)C[C@H](O)[*:1]
c1cc2c(cc1-c1n[nH]cc1CN1CCO[C@H]([C@@H]3CCCO3)C1)OCCO2 C1CO[C@@H](C1)[*:1] c1cc2OCCOc2cc1-c1n[nH]cc1CN1CCO[C@H](C1)[*:1]
O=C(CCn1ccccc1=O)NCC1(c2ccc(F)cc2)CCCC1 O=c1ccccn1[*:1] O=C(CC[*:1])NCC1(CCCC1)c1ccc(F)cc1
O=C(CCn1ccccc1=O)NCC1(c2ccc(F)cc2)CCCC1 Fc1ccc(cc1)[*:1] O=C(CCn1ccccc1=O)NCC1(CCCC1)[*:1]
O=C(CCn1ccccc1=O)NCC1(c2ccc(F)cc2)CCCC1 O=c1ccccn1C[*:1] O=C(C[*:1])NCC1(CCCC1)c1ccc(F)cc1
C[C@@H]([NH3+])c1nc(CN(C)CCc2cccs2)cs1 c1csc(c1)C[*:1] C[C@@H]([NH3+])c1nc(cs1)CN(C)C[*:1]
C[C@@H]([NH3+])c1nc(CN(C)CCc2cccs2)cs1 c1csc(c1)[*:1] C[C@@H]([NH3+])c1nc(cs1)CN(C)CC[*:1]
CC(C)c1cc(C(=O)NC[C@](C)(O)c2ccc(F)cc2)n[nH]1 CC(C)[*:1] C[C@](O)(CNC(=O)c1cc([nH]n1)[*:1])c1ccc(F)cc1
CC(C)c1cc(C(=O)NC[C@](C)(O)c2ccc(F)cc2)n[nH]1 Fc1ccc(cc1)[*:1] CC(C)c1cc(n[nH]1)C(=O)NC[C@](C)(O)[*:1]
C[C@@H](C(=O)Nc1ccccc1F)N1CCN(C(=O)c2cccc(O)c2)CC1 Oc1cccc(c1)[*:1] C[C@@H](C(=O)Nc1ccccc1F)N1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)Nc1ccccc1F)N1CCN(C(=O)c2cccc(O)c2)CC1 Fc1ccccc1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1cccc(O)c1
COC(=O)c1cccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)N[C@@H](C)[C@H]1CCCO1
COC(=O)c1cccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)c1C C1CO[C@H](C1)[*:1] COC(=O)c1cccc(NC(=O)N[C@@H](C)[*:1])c1C
CC(C)Oc1cccc(CNc2cn[nH]c(=O)c2Cl)c1 CC(C)O[*:1] O=c1[nH]ncc(NCc2cccc(c2)[*:1])c1Cl
CC(C)Oc1cccc(CNc2cn[nH]c(=O)c2Cl)c1 CC(C)[*:1] O=c1[nH]ncc(NCc2cccc(c2)O[*:1])c1Cl
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCCN3CCCCC3=O)C2)cc1 O=C1CCCCN1C[*:1] O=C([O-])c1ccc(cc1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCCN3CCCCC3=O)C2)cc1 O=C1CCCCN1[*:1] O=C([O-])c1ccc(cc1)[C@@H]1CCCN(C1)C(=O)CCC[*:1]
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCCN3CCCCC3=O)C2)cc1 O=C1CCCCN1CC[*:1] O=C([O-])c1ccc(cc1)[C@@H]1CCCN(C1)C(=O)C[*:1]
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCCN3CCCCC3=O)C2)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C1CCCCN1CCCC(=O)N1CCC[C@H](C1)[*:1]
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCCN3CCCCC3=O)C2)cc1 O=C([O-])[*:1] O=C1CCCCN1CCCC(=O)N1CCC[C@H](C1)c1ccc(cc1)[*:1]
CCc1ccc(C(C)(C)NC(=O)c2cccc(-c3nnc(C)o3)c2)cc1 CCc1ccc(cc1)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NC(C)(C)[*:1]
CCc1ccc(C(C)(C)NC(=O)c2cccc(-c3nnc(C)o3)c2)cc1 Cc1nnc(o1)[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)c1cccc(c1)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CC[C@@H](C)NC(=O)CCNC(=O)N[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)C(C)C CC[C@@H](C)[*:1] CC(C)[C@H](C)NC(=O)NCCC(=O)N[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)C(C)C CC(C)[*:1] CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)[*:1]
CCc1nn(C)cc1CNc1nc2ccccc2nc1N1CCCCC1 C1CCN(CC1)[*:1] CCc1nn(C)cc1CNc1nc2ccccc2nc1[*:1]
CCc1nn(C)cc1CNc1nc2ccccc2nc1N1CCCCC1 CCc1nn(C)cc1[*:1] c1ccc2nc(c(nc2c1)NC[*:1])N1CCCCC1
Cc1ccc(C)c(-n2ccnc2SCc2nnc(-c3ccco3)o2)c1 Cc1ccc(C)c(c1)[*:1] c1coc(c1)-c1nnc(CSc2nccn2[*:1])o1
Cc1ccc(C)c(-n2ccnc2SCc2nnc(-c3ccco3)o2)c1 c1coc(c1)[*:1] Cc1ccc(C)c(c1)-n1ccnc1SCc1nnc(o1)[*:1]
O=C(CN1C(=O)N2CC[NH+]=C2c2ccccc21)NC1CCCC1 C1CCC(C1)[*:1] O=C(CN1C(=O)N2CC[NH+]=C2c2ccccc21)N[*:1]
COc1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])c(C)c1 O=C([O-])[*:1] COc1ccc(NC(=O)c2nn(C)cc2[*:1])c(C)c1
CC(C)[C@@H](O)c1ccn(CCC(C)(C)C)c1 CC(C)[C@@H](O)[*:1] CC(C)(C)CCn1ccc(c1)[*:1]
CC(C)[C@@H](O)c1ccn(CCC(C)(C)C)c1 CC(C)[*:1] CC(C)(C)CCn1ccc(c1)[C@H](O)[*:1]
CC(C)[C@@H](O)c1ccn(CCC(C)(C)C)c1 CC(C)(C)C[*:1] CC(C)[C@@H](O)c1ccn(c1)C[*:1]
CC(C)[C@@H](O)c1ccn(CCC(C)(C)C)c1 CC(C)(C)[*:1] CC(C)[C@@H](O)c1ccn(c1)CC[*:1]
C[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CCC3)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](Sc1nc2sc3CCCc3c2c(=O)n1C)C(=O)Nc1ccc(F)c(c1)[*:1]
C[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CCC3)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])c1cc(ccc1F)[*:1] C[C@@H](Sc1nc2sc3CCCc3c2c(=O)n1C)C(=O)N[*:1]
O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCc1ccccc1F Fc1ccc(C[*:1])c(Cl)c1 O=C(CN1CCN(C1=O)[*:1])NCc1ccccc1F
O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCc1ccccc1F Fc1ccccc1C[*:1] O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)N[*:1]
O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCc1ccccc1F Fc1ccccc1[*:1] O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NC[*:1]
O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCc1ccccc1F Fc1ccc(c(Cl)c1)[*:1] O=C(CN1CCN(C[*:1])C1=O)NCc1ccccc1F
C[C@@H](Nc1cccc(F)c1C#N)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@@H](Nc1cccc(F)c1C#N)c1cccc(c1)[*:1]
CC1(C)Cc2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2O1 Clc1cccc(c1Cl)[*:1] CC1(C)Cc2cccc(OCC(=O)N[*:1])c2O1
CC(C)CNC(=O)C1(NCc2cccc3cccnc23)CCCC1 CC(C)[*:1] O=C(NC[*:1])C1(CCCC1)NCc1cccc2cccnc12
CC(C)CNC(=O)C1(NCc2cccc3cccnc23)CCCC1 CC(C)C[*:1] O=C(N[*:1])C1(CCCC1)NCc1cccc2cccnc12
CC(C)CNC(=O)C1(NCc2cccc3cccnc23)CCCC1 CC(C)CNC(=O)[*:1] c1cnc2c(cccc2c1)CNC1(CCCC1)[*:1]
CC[C@@H](C)NC(=O)c1cnn2cccnc12 CC[C@@H](C)[*:1] O=C(N[*:1])c1cnn2cccnc12
C=CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]1[C@H]1CCCN12 C=CC[*:1] COc1ccc(cc1)N1C(=O)[C@H]2[C@H]3CCCN3[C@]3(C(=O)N(c4ccccc43)[*:1])[C@@H]2C1=O
C=CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]1[C@H]1CCCN12 COc1ccc(cc1)[*:1] C=CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(C(=O)[C@H]1[C@H]1CCCN12)[*:1]
NC(=O)NC1CCN(C(=O)c2c(O)cc(F)cc2F)CC1 NC(=O)N[*:1] O=C(c1c(O)cc(F)cc1F)N1CCC(CC1)[*:1]
COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 Fc1ccc(cc1Cl)[*:1] COc1ccccc1Nc1nc2NC(=O)C[C@@H](C(=O)N[*:1])c2c(=O)[nH]1
COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 COc1ccccc1[*:1] O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)c2c(nc(N[*:1])[nH]c2=O)N1
COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 COc1ccccc1N[*:1] O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)c2c(nc([nH]c2=O)[*:1])N1
CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 Cn1cc(cn1)[*:1] CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@@](C)(C1)[*:1]
C/C(=C/C(=O)NC(C)(C)C)NNC(=O)COc1cc(C)c(Cl)c(C)c1 CC(C)(C)NC(=O)[*:1] CC(=C[*:1])NNC(=O)COc1cc(C)c(Cl)c(C)c1
C/C(=C/C(=O)NC(C)(C)C)NNC(=O)COc1cc(C)c(Cl)c(C)c1 CC(C)(C)[*:1] C/C(=C/C(=O)N[*:1])NNC(=O)COc1cc(C)c(Cl)c(C)c1
O=C(c1cc(=O)[nH]c([O-])n1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 Fc1ccc(cc1F)[*:1] O=C(c1cc(=O)[nH]c([O-])n1)N1CCc2[nH]nc(c2C1)[*:1]
CCOc1ccc2nc(SC[C@H](C)/C(N)=N/O)[nH]c2c1 N/C(=N\O)[*:1] CCOc1ccc2nc([nH]c2c1)SC[C@H](C)[*:1]
CCOc1ccc2nc(SC[C@H](C)/C(N)=N/O)[nH]c2c1 CCO[*:1] C[C@@H](CSc1nc2ccc(cc2[nH]1)[*:1])/C(N)=N/O
COc1ccc([C@H]2CCCCCN2C(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@H]1CCCCCN1C(=O)C[C@@H](c1ccccc1)[*:1]
COc1ccc([C@H]2CCCCCN2C(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CCCCCN1C(=O)C[C@@H](NC(C)=O)[*:1]
COc1ccc([C@H]2CCCCCN2C(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N1CCCCC[C@@H]1[*:1])c1ccccc1
CC(C)[C@@H]1SCC(O)=Nc2c1cnn2Cc1ccccc1Cl CC(C)[*:1] OC1CS[C@H](c2cnn(Cc3ccccc3Cl)c2N=1)[*:1]
CC(C)[C@@H]1SCC(O)=Nc2c1cnn2Cc1ccccc1Cl Clc1ccccc1[*:1] CC(C)[C@@H]1SCC(O)=Nc2c1cnn2C[*:1]
COC(=O)[C@@]1(C)[NH2+][C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 COC(=O)[*:1] Cc1ccc(cc1)[C@H]1[NH2+][C@](C)([C@H]2C(=O)N(C(=O)[C@H]12)c1ccc(C)cc1)[*:1]
COC(=O)[C@@]1(C)[NH2+][C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 Cc1ccc(cc1)[*:1] COC(=O)[C@@]1(C)[NH2+][C@H](c2ccc(C)cc2)[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1]
COC(=O)[C@@]1(C)[NH2+][C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 Cc1ccc(cc1)[*:1] COC(=O)[C@@]1(C)[NH2+][C@H]([C@H]2C(=O)N(C(=O)[C@@H]21)c1ccc(C)cc1)[*:1]
CC[C@@H]([NH2+][C@H](C)c1ccc(SC)cc1)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H]([NH2+][C@H](C)c1ccc(cc1)SC)[*:1]
COC(=O)CC1CCN(C(=O)Nc2cncc3ccccc23)CC1 COC(=O)C[*:1] O=C(Nc1cncc2ccccc12)N1CCC(CC1)[*:1]
COC(=O)CC1CCN(C(=O)Nc2cncc3ccccc23)CC1 COC(=O)[*:1] O=C(Nc1cncc2ccccc12)N1CCC(CC1)C[*:1]
CC(=O)NCCNC(=O)Cc1nc(-c2ccccc2)oc1C CC(=O)NC[*:1] Cc1oc(nc1CC(=O)NC[*:1])-c1ccccc1
CC(=O)NCCNC(=O)Cc1nc(-c2ccccc2)oc1C CC(=O)NCC[*:1] Cc1oc(nc1CC(=O)N[*:1])-c1ccccc1
CC(=O)NCCNC(=O)Cc1nc(-c2ccccc2)oc1C CC(=O)N[*:1] Cc1oc(nc1CC(=O)NCC[*:1])-c1ccccc1
CC(=O)NCCNC(=O)Cc1nc(-c2ccccc2)oc1C c1ccc(cc1)[*:1] CC(=O)NCCNC(=O)Cc1nc(oc1C)[*:1]
O=C([O-])Cn1cccc1C(=O)N=c1[nH]c2ccccc2[nH]1 O=C([O-])[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)c1cccn1C[*:1]
O=C([O-])Cn1cccc1C(=O)N=c1[nH]c2ccccc2[nH]1 O=C([O-])C[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)c1cccn1[*:1]
O=[N+]([O-])c1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cs1 O=[N+]([O-])[*:1] c1sc(cc1CN1CCC[C@H](C1)[NH+]1CCCC1)[*:1]
CN1CCN(C(=O)c2ccc3oc(Cc4ccccc4)nc3c2)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1CCN(C[C@H]1c1ccccc1)C(=O)c1ccc2oc(C[*:1])nc2c1
CN1CCN(C(=O)c2ccc3oc(Cc4ccccc4)nc3c2)C[C@H]1c1ccccc1 c1ccc(cc1)C[*:1] CN1CCN(C[C@H]1c1ccccc1)C(=O)c1ccc2oc(nc2c1)[*:1]
CN1CCN(C(=O)c2ccc3oc(Cc4ccccc4)nc3c2)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1CCN(C[C@@H]1[*:1])C(=O)c1ccc2oc(Cc3ccccc3)nc2c1
Cc1ccc(C)c(OCC(=O)NCC2CC2)c1 C1CC1C[*:1] Cc1ccc(C)c(c1)OCC(=O)N[*:1]
Cc1ccc(C)c(OCC(=O)NCC2CC2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)OCC(=O)NC[*:1]
Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](CCO)c1cccs1 c1csc(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](CCO)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](CCO)c1cccs1 OCC[*:1] Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](c1cccs1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](CCO)c1cccs1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C[NH2+][C@H](CCO)c1cccs1)[*:1]
C[C@@H](CCN1CCOCC1)N[C@@H]1CC(C)(C)Oc2ccccc21 C1CN(CCO1)C[*:1] C[C@@H](C[*:1])N[C@@H]1CC(C)(C)Oc2ccccc21
C[C@@H](CCN1CCOCC1)N[C@@H]1CC(C)(C)Oc2ccccc21 C1CN(CCO1)[*:1] C[C@@H](CC[*:1])N[C@@H]1CC(C)(C)Oc2ccccc21
CC(C)Oc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)o2)cc1 CC(C)[*:1] NS(=O)(=O)c1ccc(o1)C(=O)NCc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)o2)cc1 NS(=O)(=O)[*:1] CC(C)Oc1ccc(cc1)CNC(=O)c1ccc(o1)[*:1]
CC(C)Oc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)o2)cc1 CC(C)O[*:1] NS(=O)(=O)c1ccc(o1)C(=O)NCc1ccc(cc1)[*:1]
O=C(CC1CCCC1)NC[C@H]1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)O1 C1CCC(C1)C[*:1] O=C(c1ccc(F)cc1)N1CCC2(CC[C@H](CNC(=O)[*:1])O2)CC1
O=C(CC1CCCC1)NC[C@H]1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)O1 C1CCC(C1)[*:1] O=C(C[*:1])NC[C@H]1CCC2(CCN(CC2)C(=O)c2ccc(F)cc2)O1
O=C(CC1CCCC1)NC[C@H]1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)O1 O=C(CC1CCCC1)N[*:1] O=C(c1ccc(F)cc1)N1CCC2(CC[C@H](C[*:1])O2)CC1
O=C(CC1CCCC1)NC[C@H]1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)O1 Fc1ccc(cc1)[*:1] O=C(CC1CCCC1)NC[C@H]1CCC2(CCN(CC2)C(=O)[*:1])O1
C/C=C/C=C/C(=O)Nc1cccc(Oc2cnccn2)c1 c1cnc(cn1)O[*:1] C/C=C/C=C/C(=O)Nc1cccc(c1)[*:1]
C/C=C/C=C/C(=O)Nc1cccc(Oc2cnccn2)c1 C/C=C/C=C[*:1] O=C(Nc1cccc(c1)Oc1cnccn1)[*:1]
C/C=C/C=C/C(=O)Nc1cccc(Oc2cnccn2)c1 CC=C[*:1] O=C(C=C[*:1])Nc1cccc(c1)Oc1cnccn1
C/C=C/C=C/C(=O)Nc1cccc(Oc2cnccn2)c1 c1cnc(cn1)[*:1] C/C=C/C=C/C(=O)Nc1cccc(c1)O[*:1]
CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 CCNC(=O)[*:1] O=S(=O)(Nc1ccc(F)cc1)c1ccc(cc1)[*:1]
CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCNC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
O=C1N=C2C=C(c3ccccc3)S[C@H]2C(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1N=C2C=C(S[C@H]2C(=O)N1[*:1])c1ccccc1
O=C1N=C2C=C(c3ccccc3)S[C@H]2C(=O)N1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C1N=C2C=C(S[C@H]2C(=O)N1c1ccc(Cl)cc1)[*:1]
CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1)C(=O)C(C)(C)O2 CC(C)[*:1] CC1(C)Oc2ccc(cc2N(CC(=O)Nc2ccc(F)cc2)C1=O)C(=O)N[*:1]
CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1)C(=O)C(C)(C)O2 Fc1ccc(cc1)[*:1] CC(C)NC(=O)c1ccc2OC(C)(C)C(=O)N(CC(=O)N[*:1])c2c1
CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1)C(=O)C(C)(C)O2 O=C(Nc1ccc(F)cc1)[*:1] CC(C)NC(=O)c1ccc2OC(C)(C)C(=O)N(C[*:1])c2c1
CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1)C(=O)C(C)(C)O2 CC(C)NC(=O)[*:1] CC1(C)Oc2ccc(cc2N(CC(=O)Nc2ccc(F)cc2)C1=O)[*:1]
CC[NH2+][C@@H](Cc1ccc2c(c1)CCC2)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] CC[NH2+][C@@H](Cc1ccc2CCCc2c1)[*:1]
O=C(NC[C@@H](CCO)c1ccccc1)c1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NC[C@@H](CCO)[*:1])c1ccn(n1)-c1ccccc1
O=C(NC[C@@H](CCO)c1ccccc1)c1ccn(-c2ccccc2)n1 OCC[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])c1ccn(n1)-c1ccccc1
O=C(NC[C@@H](CCO)c1ccccc1)c1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NC[C@@H](CCO)c1ccccc1)c1ccn(n1)[*:1]
CC[C@@H](C)CN(CC)S(=O)(=O)Cc1cccc(N)c1 CC[C@@H](C)C[*:1] CCN(S(=O)(=O)Cc1cccc(N)c1)[*:1]
CC[C@@H](C)CN(CC)S(=O)(=O)Cc1cccc(N)c1 CC[C@@H](C)[*:1] CCN(C[*:1])S(=O)(=O)Cc1cccc(N)c1
CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(Cl)n3)cc2F)CC1 Clc1cccc(n1)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1F)C(=O)N[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1 CC(C)NC(=O)[*:1] CCC[C@@](C)(CO)NC(=O)N[C@H]1CCC[C@H](C1)[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1 CC(C)[*:1] CCC[C@@](C)(CO)NC(=O)N[C@H]1CCC[C@@H](C1)C(=O)N[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1 CCC[C@@](C)(CO)[*:1] CC(C)NC(=O)[C@H]1CCC[C@@H](C1)NC(=O)N[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@H]1CCC[C@H](C(=O)NC(C)C)C1 CCC[*:1] CC(C)NC(=O)[C@H]1CCC[C@@H](C1)NC(=O)N[C@@](C)(CO)[*:1]
Cc1cccc(NC(=O)[C@H]2CCCCC[C@@H]2[NH3+])c1C(=O)[O-] O=C([O-])[*:1] Cc1cccc(NC(=O)[C@H]2CCCCC[C@@H]2[NH3+])c1[*:1]
CC[n+]1c(N)n(C[C@H](O)COc2ccc(OC)cc2)c2ccccc21 COc1ccc(cc1)[*:1] CC[n+]1c(N)n(C[C@H](O)CO[*:1])c2ccccc21
Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NC[C@H]1COC(C)(C)O1 FC(F)(F)[*:1] Cc1noc(-c2ccc(cc2)O[*:1])c1C(=O)NC[C@H]1COC(C)(C)O1
Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NC[C@H]1COC(C)(C)O1 FC(F)(F)O[*:1] Cc1noc(-c2ccc(cc2)[*:1])c1C(=O)NC[C@H]1COC(C)(C)O1
C[C@H](NC(=O)C1(c2ccccc2)CC1)c1nc2cc(-c3ccc(F)cc3)ncn2n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C1(CC1)[*:1])c1nc2cc(ncn2n1)-c1ccc(F)cc1
C[C@H](NC(=O)C1(c2ccccc2)CC1)c1nc2cc(-c3ccc(F)cc3)ncn2n1 c1ccc(cc1)C1(CC1)[*:1] C[C@H](NC(=O)[*:1])c1nc2cc(ncn2n1)-c1ccc(F)cc1
C[C@H](NC(=O)C1(c2ccccc2)CC1)c1nc2cc(-c3ccc(F)cc3)ncn2n1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)C1(CC1)c1ccccc1)c1nc2cc(ncn2n1)[*:1]
COc1cc(NC(=O)c2cc3ccccc3cc2OC)ccc1NC(=O)c1ccco1 c1coc(c1)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)c1cc2ccccc2cc1OC
COc1cc(NC(=O)c2cc3ccccc3cc2OC)ccc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 COc1cc2ccccc2cc1C(=O)Nc1ccc(c(c1)OC)[*:1]
COc1cc(OC)cc([C@@H](NC(=O)[C@H]2COc3ccccc3C2)c2nccn2C)c1 c1ccc2OC[C@@H](Cc2c1)[*:1] COc1cc(cc(c1)[C@@H](NC(=O)[*:1])c1nccn1C)OC
COc1cc(OC)cc([C@@H](NC(=O)[C@H]2COc3ccccc3C2)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cc(cc(c1)[C@@H](NC(=O)[C@H]1COc2ccccc2C1)[*:1])OC
COc1cc(OC)cc([C@@H](NC(=O)[C@H]2COc3ccccc3C2)c2nccn2C)c1 COc1cc(cc(c1)[*:1])OC Cn1ccnc1[C@H](NC(=O)[C@H]1COc2ccccc2C1)[*:1]
COCCOc1ccc(C=O)cc1 COCC[*:1] O=Cc1ccc(cc1)O[*:1]
COCCOc1ccc(C=O)cc1 COC[*:1] O=Cc1ccc(cc1)OC[*:1]
COc1ccc(F)cc1NC(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 c1cnn(c1)C[*:1] COc1ccc(F)cc1NC(=O)NCc1cccc(c1)NC(=O)[*:1]
COc1ccc(F)cc1NC(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 c1cnn(c1)[*:1] COc1ccc(F)cc1NC(=O)NCc1cccc(c1)NC(=O)C[*:1]
COc1ccc(F)cc1NC(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 O=C(Cn1cccn1)N[*:1] COc1ccc(F)cc1NC(=O)NCc1cccc(c1)[*:1]
COc1ccc(F)cc1NC(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 COc1ccc(F)cc1[*:1] O=C(Cn1cccn1)Nc1cccc(c1)CNC(=O)N[*:1]
C[C@H](Sc1nnc(Nc2ccccc2)s1)c1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(N[*:1])s1)c1nnnn1-c1ccccc1
C[C@H](Sc1nnc(Nc2ccccc2)s1)c1nnnn1-c1ccccc1 c1ccc(cc1)N[*:1] C[C@H](Sc1nnc(s1)[*:1])c1nnnn1-c1ccccc1
C[C@H](Sc1nnc(Nc2ccccc2)s1)c1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(Nc2ccccc2)s1)c1nnnn1[*:1]
COc1ccccc1-c1n[nH]c(/N=C(\[O-])Cc2coc3c(C)c(C)ccc23)n1 COc1ccccc1[*:1] Cc1ccc2c(coc2c1C)C/C([O-])=N/c1nc(n[nH]1)[*:1]
Cn1nc(C(F)(F)F)c(/C=N/OC(=O)CCl)c1Sc1ccc(Cl)cc1 O=C(CCl)ON=C[*:1] Cn1nc(c(c1Sc1ccc(Cl)cc1)[*:1])C(F)(F)F
Cn1nc(C(F)(F)F)c(/C=N/OC(=O)CCl)c1Sc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1nc(c(/C=N/OC(=O)CCl)c1S[*:1])C(F)(F)F
Cn1nc(C(F)(F)F)c(/C=N/OC(=O)CCl)c1Sc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] Cn1nc(c(/C=N/OC(=O)CCl)c1[*:1])C(F)(F)F
Cn1nc(C(F)(F)F)c(/C=N/OC(=O)CCl)c1Sc1ccc(Cl)cc1 FC(F)(F)[*:1] Cn1nc(c(/C=N/OC(=O)CCl)c1Sc1ccc(Cl)cc1)[*:1]
Cc1cccc([C@H]2C[C@H]2C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 Cc1cccc(c1)[*:1] O=C([C@@H]1C[C@@H]1[*:1])N1CCN(CC1)CC[NH+]1CCCC1
O=C(NCc1ccc[nH+]c1N1CCOCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] O=C(NCc1ccc[nH+]c1N1CCOCC1)NC[C@@H]([NH+]1CCCC1)[*:1]
O=C(NCc1ccc[nH+]c1N1CCOCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 C1CN(CCO1)[*:1] O=C(NCc1ccc[nH+]c1[*:1])NC[C@@H](c1ccco1)[NH+]1CCCC1
Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 C1CN(CCO1)[*:1] Cn1c(C[*:1])nnc1[C@@H]1CCCN(C1)C(=O)c1ccc[nH]1
Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 C1CN(CCO1)C[*:1] Cn1c(nnc1[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc[nH]1
Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 c1c[nH]c(c1)[*:1] Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(Cl)cc2C)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccc(Cl)cc1C
Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(Cl)cc2C)cc1 Cc1cc(Cl)ccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(C)C)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(Cl)cc2C)cc1 CN(C)C(=O)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1ccc(Cl)cc1C)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(Cl)cc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(Cl)ccc1N(CC(=O)N(C)C)S(=O)(=O)[*:1]
CN(C)c1ccccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(C)c1ccccc1NC(=O)CCc1cccc(c1)[*:1]
CN(C)c1ccccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 CN(C)[*:1] O=C(CCc1cccc(c1)[N+](=O)[O-])Nc1ccccc1[*:1]
COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(C)c(=O)n2C COCC[*:1] Cc1nn(c(C)c1C)-c1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(C)c(=O)n2C COC[*:1] Cc1nn(c(C)c1C)-c1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(C)c(=O)n2C Cc1nn(c(C)c1C)[*:1] COCCn1c(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
O=C(CN1CCCCC1=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] O=C(CN1CCCCC1=O)N1CCC(CC1)c1ccc(cc1)[*:1]
O=C(CN1CCCCC1=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 O=C1CCCCN1[*:1] O=C(C[*:1])N1CCC(CC1)c1ccc(cc1)C(F)(F)F
O=C(CN1CCCCC1=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 O=C1CCCCN1C[*:1] O=C(N1CCC(CC1)c1ccc(cc1)C(F)(F)F)[*:1]
COc1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1Br C1CCC(CC1)[*:1] COc1ccc(cc1Br)C(=O)NNC(=O)CNC(=O)[*:1]
CC(C)(C)C(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12 CC(C)(C)[*:1] N#C/C(=C\c1c(nc2ccccn12)-c1ccccc1)C(=O)[*:1]
CC(C)(C)C(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12 CC(C)(C)C(=O)[*:1] N#CC(=Cc1c(nc2ccccn12)-c1ccccc1)[*:1]
CC(C)(C)C(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12 c1ccc(cc1)[*:1] CC(C)(C)C(=O)/C(C#N)=C/c1c(nc2ccccn12)[*:1]
CS/C(=N\C#N)N1CCC(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CS/C(=N\C#N)N1CCC(CC1)C(=O)[*:1]
COc1ccc(-c2cc(CNC(=O)COc3ccc(Cl)cc3)no2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(CNC(=O)CO[*:1])no1
COc1ccc(-c2cc(CNC(=O)COc3ccc(Cl)cc3)no2)cc1 Clc1ccc(cc1)O[*:1] COc1ccc(cc1)-c1cc(CNC(=O)C[*:1])no1
COc1ccc(-c2cc(CNC(=O)COc3ccc(Cl)cc3)no2)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)NCc1cc(on1)[*:1]
COC(=O)[C@@H](C)Sc1ccccc1C(=O)NN1Cc2ccccc2C1 COC(=O)[C@@H](C)S[*:1] O=C(NN1Cc2ccccc2C1)c1ccccc1[*:1]
COC(=O)[C@@H](C)Sc1ccccc1C(=O)NN1Cc2ccccc2C1 COC(=O)[*:1] C[C@@H](Sc1ccccc1C(=O)NN1Cc2ccccc2C1)[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(C2(C(=O)NC(C)C)CC2)cc1 CC(C)NC(=O)C1(CC1)[*:1] CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(C2(C(=O)NC(C)C)CC2)cc1 CC(C)NC(=O)[*:1] CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(cc1)C1(CC1)[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(C2(C(=O)NC(C)C)CC2)cc1 CC(=O)N[*:1] Cc1ccc(c(c1)S(=O)(=O)Nc1ccc(cc1)C1(CC1)C(=O)NC(C)C)[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(C2(C(=O)NC(C)C)CC2)cc1 CC(C)[*:1] CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(cc1)C1(CC1)C(=O)N[*:1]
O=C(NCCN1C(=O)CCC1=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCCN1C(=O)CCC1=O)c1ncccc1[*:1]
O=C(NCCN1C(=O)CCC1=O)c1ncccc1C(F)(F)F O=C1CCC(=O)N1[*:1] O=C(NCC[*:1])c1ncccc1C(F)(F)F
CC[C@H](C(=O)Nc1cc(C)on1)S(=O)(=O)c1ccc(COC)cc1 COC[*:1] CC[C@H](C(=O)Nc1cc(C)on1)S(=O)(=O)c1ccc(cc1)[*:1]
CC[C@H](C(=O)Nc1cc(C)on1)S(=O)(=O)c1ccc(COC)cc1 Cc1cc(no1)[*:1] CC[C@H](C(=O)N[*:1])S(=O)(=O)c1ccc(cc1)COC
CCc1nc([C@H]2CCCN2C(=O)[C@H](C)c2cc(C)oc2C)no1 CCc1nc(no1)[*:1] Cc1cc(c(C)o1)[C@@H](C)C(=O)N1CCC[C@@H]1[*:1]
CCc1nc([C@H]2CCCN2C(=O)[C@H](C)c2cc(C)oc2C)no1 Cc1cc(c(C)o1)[*:1] CCc1nc(no1)[C@H]1CCCN1C(=O)[C@H](C)[*:1]
C[C@H]1Cc2c(NC(=O)C3(C)CC3)ccc(Cl)c2O1 CC1(CC1)[*:1] C[C@H]1Cc2c(ccc(Cl)c2O1)NC(=O)[*:1]
COc1ccc(OC)c(CNS(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)c1 O=C(N1CCCCCC1)[*:1] COc1ccc(OC)c(c1)CNS(=O)(=O)c1cc(cs1)[*:1]
C/C=C(C)\C([O-])=N\c1nc(C(F)(F)F)n[nH]1 FC(F)(F)[*:1] C/C=C(C)\C([O-])=N\c1nc(n[nH]1)[*:1]
C/C=C(C)\C([O-])=N\c1nc(C(F)(F)F)n[nH]1 CC=C(C)[*:1] [O-]/C(=N\c1nc(n[nH]1)C(F)(F)F)[*:1]
Cc1cccc(C2=N/C(=C/C=C/c3ccccc3)C(=O)O2)c1 Cc1cccc(c1)[*:1] O=C1OC(=N/C1=C/C=C/c1ccccc1)[*:1]
Cc1cccc(C2=N/C(=C/C=C/c3ccccc3)C(=O)O2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C1=N/C(=C/C=C[*:1])C(=O)O1
CSc1ccc(NC(=O)C(=O)N(C)CCc2ccccc2)cc1F c1ccc(cc1)[*:1] CSc1ccc(cc1F)NC(=O)C(=O)N(C)CC[*:1]
CSc1ccc(NC(=O)C(=O)N(C)CCc2ccccc2)cc1F c1ccc(cc1)CC[*:1] CSc1ccc(cc1F)NC(=O)C(=O)N(C)[*:1]
CSc1ccc(NC(=O)C(=O)N(C)CCc2ccccc2)cc1F c1ccc(cc1)C[*:1] CSc1ccc(cc1F)NC(=O)C(=O)N(C)C[*:1]
O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)Nc1ccccn1 O=C(Nc1ccccn1)[*:1] c1ccc(cc1)COc1ccc2c(ccn2C[*:1])c1
O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(Cn1ccc2cc(ccc21)OCc1ccccc1)N[*:1]
O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)Nc1ccccn1 c1ccc(cc1)[*:1] O=C(Cn1ccc2cc(ccc21)OC[*:1])Nc1ccccn1
O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)Nc1ccccn1 c1ccc(cc1)CO[*:1] O=C(Cn1ccc2cc(ccc21)[*:1])Nc1ccccn1
O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)Nc1ccccn1 c1ccc(cc1)C[*:1] O=C(Cn1ccc2cc(ccc21)O[*:1])Nc1ccccn1
CC1CCC([NH+](Cc2ccc3c(c2)OCO3)Cc2ccc(C(=O)N(C)C)[nH]2)CC1 c1cc2OCOc2cc1[*:1] CC1CCC(CC1)[NH+](Cc1ccc([nH]1)C(=O)N(C)C)C[*:1]
CC1CCC([NH+](Cc2ccc3c(c2)OCO3)Cc2ccc(C(=O)N(C)C)[nH]2)CC1 CN(C)C(=O)[*:1] CC1CCC(CC1)[NH+](Cc1ccc2OCOc2c1)Cc1ccc([nH]1)[*:1]
CC1CCC([NH+](Cc2ccc3c(c2)OCO3)Cc2ccc(C(=O)N(C)C)[nH]2)CC1 CC1CCC(CC1)[*:1] CN(C)C(=O)c1ccc(C[NH+](Cc2ccc3OCOc3c2)[*:1])[nH]1
CC[C@@H](NC(=O)c1cc(C#N)cn1C)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)c1cc(C#N)cn1C)[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 CCC[*:1] C[C@@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)N[C@H]1CCC[C@@H]1C[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 CCCC[C@H]1CCC[C@H]1[*:1] C[C@@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 CCCC[*:1] C[C@@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)N[C@H]1CCC[C@@H]1[*:1]
COC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1cccc(c1)-n1c(N)cc(=O)nc1SCC(=O)N[*:1]
COC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] COC(=O)c1ccc(cc1)NC(=O)CSc1nc(=O)cc(N)n1[*:1]
COC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)cc1 COC(=O)[*:1] Cc1cccc(c1)-n1c(N)cc(=O)nc1SCC(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1nnc(CCCOc2ccccc2)s1)c1cccc(F)c1 c1ccc(cc1)OC[*:1] O=C(Nc1nnc(CC[*:1])s1)c1cccc(F)c1
O=C(Nc1nnc(CCCOc2ccccc2)s1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1nnc(CCCOc2ccccc2)s1)[*:1]
O=C(Nc1nnc(CCCOc2ccccc2)s1)c1cccc(F)c1 c1ccc(cc1)[*:1] O=C(Nc1nnc(CCCO[*:1])s1)c1cccc(F)c1
O=C(Nc1nnc(CCCOc2ccccc2)s1)c1cccc(F)c1 c1ccc(cc1)O[*:1] O=C(Nc1nnc(CCC[*:1])s1)c1cccc(F)c1
C#CCn1/c(=N/C(=O)CC)sc2cc([N+](=O)[O-])ccc21 C#CC[*:1] CCC(=O)/N=c1\sc2cc(ccc2n1[*:1])[N+](=O)[O-]
C#CCn1/c(=N/C(=O)CC)sc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] C#CCn1/c(=N/C(=O)CC)sc2cc(ccc21)[*:1]
O=C(Oc1cccc(F)c1F)c1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Oc1cccc(F)c1F)c1csc(n1)[*:1]
CC(=O)c1cccc(NC(=O)C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)C(=O)N1C[C@H](O[C@H](C)C1)[*:1]
CC(=O)c1cccc(NC(=O)C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c1 CC(=O)c1cccc(c1)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)C(=O)N[*:1]
CC(=O)c1cccc(NC(=O)C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c1 CC(=O)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)C(=O)Nc1cccc(c1)[*:1]
CCC(C)(C)NC(=O)CSCC(=O)Nc1cccc(C)c1 CCC(C)(C)[*:1] Cc1cccc(c1)NC(=O)CSCC(=O)N[*:1]
CCC(C)(C)NC(=O)CSCC(=O)Nc1cccc(C)c1 Cc1cccc(c1)[*:1] CCC(C)(C)NC(=O)CSCC(=O)N[*:1]
C[C@@H](CN1CCOCC1)Nc1ncnc2ccc(F)cc12 C1CN(CCO1)C[*:1] C[C@@H](Nc1ncnc2ccc(F)cc12)[*:1]
C[C@@H](CN1CCOCC1)Nc1ncnc2ccc(F)cc12 C1CN(CCO1)[*:1] C[C@@H](C[*:1])Nc1ncnc2ccc(F)cc12
Cc1cc(C)n(-c2ccccc2NC(=O)Cc2cccc(OCC#N)c2)n1 Cc1cc(C)n(n1)[*:1] N#CCOc1cccc(c1)CC(=O)Nc1ccccc1[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)Cc2cccc(OCC#N)c2)n1 N#CC[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)Cc1cccc(c1)O[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)Cc2cccc(OCC#N)c2)n1 N#CCO[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)Cc1cccc(c1)[*:1]
CC1(C)S[C@H](c2ccc(Br)cc2)N[C@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)S[C@@H](N[C@@H]1[*:1])c1ccc(Br)cc1
COCO[C@H]1CCCN(c2ccccc2C#N)C1 COC[*:1] N#Cc1ccccc1N1CCC[C@@H](C1)O[*:1]
COCO[C@H]1CCCN(c2ccccc2C#N)C1 COCO[*:1] N#Cc1ccccc1N1CCC[C@@H](C1)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)COc3ccccc3)ccc21 CCC[*:1] O=C(COc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NC(=O)COc3ccccc3)ccc21 c1ccc(cc1)O[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)C[*:1]
CCCN1C(=O)CCc2cc(NC(=O)COc3ccccc3)ccc21 c1ccc(cc1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)CO[*:1]
CCCN1C(=O)CCc2cc(NC(=O)COc3ccccc3)ccc21 c1ccc(cc1)OC[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)[*:1]
CN(C)C(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1 CN(C)C(=O)[*:1] Cn1c(nnc1C1CC1)SCC(=O)Nc1ccc(cc1)[*:1]
CN(C)C(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1 C1CC1[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)[*:1]
N#Cc1ccccc1CSCCNC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#Cc1ccccc1CSCCNC(=O)N[*:1]
CC[C@H](C)NC(=O)c1cc(Br)ccc1Br CC[C@H](C)[*:1] O=C(N[*:1])c1cc(Br)ccc1Br
CC[C@H](Cc1ccccc1)[NH2+]CCC(=O)N1CCN(C(C)=O)CC1 c1ccc(cc1)C[*:1] CC[C@H]([NH2+]CCC(=O)N1CCN(CC1)C(C)=O)[*:1]
CC[C@H](Cc1ccccc1)[NH2+]CCC(=O)N1CCN(C(C)=O)CC1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])[NH2+]CCC(=O)N1CCN(CC1)C(C)=O
CCCc1n[nH]c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 CCC[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@@H]1c1ccc(Cl)cc1Cl)[*:1]
Cc1cnn(C[C@H]2CCCN2c2ncccc2C#N)c1 Cc1cnn(c1)[*:1] N#Cc1cccnc1N1CCC[C@@H]1C[*:1]
Cc1ccnc2nc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)nn12 FC(F)(F)[*:1] Cc1ccnc2nc(nn12)C(=O)Nc1ccc(C#N)c(c1)[*:1]
O=C(CCc1ccccc1Cl)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CCc1ccccc1Cl)N1CCC[C@@H]1[*:1]
O=C(CCc1ccccc1Cl)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(CCc1ccccc1Cl)N1CCC[C@H]1C[*:1]
O=C(CCc1ccccc1Cl)N1CCC[C@H]1CN1CCOCC1 Clc1ccccc1[*:1] O=C(CC[*:1])N1CCC[C@H]1CN1CCOCC1
COc1cc(OC)c(C2=CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)c(OC)c1 Fc1ccc(cc1)[*:1] COc1cc(OC)c(C2=CC[NH+](CC2)Cc2nc(no2)[*:1])c(c1)OC
Cc1cccc([C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)[C@H](O)CN[C@H](C)c1cccc(c1C)[*:1]
Cc1cccc([C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 Cc1cccc(c1)[*:1] Cc1c(cccc1[N+](=O)[O-])[C@@H](C)NC[C@@H](O)[*:1]
Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)[C@@H]3COCCN32)cc1C Cc1ccc(cc1C)[*:1] O=C1N[C@H](c2cn(nc2[*:1])-c2ccccc2)N2CCOC[C@@H]12
Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)[C@@H]3COCCN32)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1nn(cc1[C@H]1NC(=O)[C@@H]2COCCN21)[*:1]
Cc1cc(C(=O)NCC(=O)N2CCN(S(C)(=O)=O)CC2)nn1C Cc1cc(nn1C)[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)[*:1]
O=C(C[NH+]1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)CC1)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)/C=C/c1ccc(cc1)-n1ccnc1)Nc1ccccc1[*:1]
O=C(C[NH+]1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)CC1)Nc1ccccc1C(F)(F)F c1cn(cn1)-c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)C=C[*:1])Nc1ccccc1C(F)(F)F
O=C(C[NH+]1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)CC1)Nc1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)C(=O)/C=C/c1ccc(cc1)-n1ccnc1)N[*:1]
O=C(C[NH+]1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)CC1)Nc1ccccc1C(F)(F)F c1cn(cn1)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)/C=C/c1ccc(cc1)[*:1])Nc1ccccc1C(F)(F)F
COC(=O)[C@@H]1CN(C(=O)Nc2ccc(OC)cc2)C[C@H]1C COC(=O)[*:1] COc1ccc(cc1)NC(=O)N1C[C@@H](C)[C@@H](C1)[*:1]
CCC(C)(C)NC(=O)[C@H](C)[S@](=O)[C@@H](C)c1ccc(F)c(F)c1 CCC(C)(C)[*:1] C[C@@H](C(=O)N[*:1])[S@](=O)[C@@H](C)c1ccc(F)c(F)c1
CN(C(=O)NCCC(F)(F)F)C1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN(C(=O)NCCC(F)(F)F)C1CCN(CC1)[*:1]
CN(C(=O)NCCC(F)(F)F)C1CCN(c2ccc(F)cc2)CC1 FC(F)(F)C[*:1] CN(C(=O)NC[*:1])C1CCN(CC1)c1ccc(F)cc1
CN(C(=O)NCCC(F)(F)F)C1CCN(c2ccc(F)cc2)CC1 FC(F)(F)CC[*:1] CN(C(=O)N[*:1])C1CCN(CC1)c1ccc(F)cc1
CN(C(=O)NCCC(F)(F)F)C1CCN(c2ccc(F)cc2)CC1 FC(F)(F)[*:1] CN(C(=O)NCC[*:1])C1CCN(CC1)c1ccc(F)cc1
CCC[C@@H](NC(=O)c1ccccc1)[C@H](C)C(=O)CC CCC(=O)[*:1] CCC[C@@H](NC(=O)c1ccccc1)[C@H](C)[*:1]
CCC[C@@H](NC(=O)c1ccccc1)[C@H](C)C(=O)CC c1ccc(cc1)[*:1] CCC[C@@H](NC(=O)[*:1])[C@H](C)C(=O)CC
CCC[C@@H](NC(=O)c1ccccc1)[C@H](C)C(=O)CC CCC[*:1] CCC(=O)[C@@H](C)[C@H](NC(=O)c1ccccc1)[*:1]
CCC[C@@H](NC(=O)c1ccccc1)[C@H](C)C(=O)CC CCC(=O)[C@@H](C)[*:1] CCC[C@@H](NC(=O)c1ccccc1)[*:1]
Cc1c(NC(=O)c2cccc(C3OCCO3)c2)cccc1[N+](=O)[O-] C1COC(O1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)c1cccc(c1)[*:1]
Cc1c(NC(=O)c2cccc(C3OCCO3)c2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)c1cccc(c1)C1OCCO1
Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1C c1cnn(c1)C[*:1] Cc1ccc(cc1C)N[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1C Cc1ccc(cc1C)[*:1] O=C(c1cccc(c1)Cn1cccn1)N1CCC[C@H](C1)N[*:1]
Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1C Cc1ccc(cc1C)N[*:1] O=C(c1cccc(c1)Cn1cccn1)N1CCC[C@H](C1)[*:1]
Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1C c1cnn(c1)[*:1] Cc1ccc(cc1C)N[C@@H]1CCCN(C1)C(=O)c1cccc(c1)C[*:1]
COc1ccc(NC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 CC(C)(C)OC(=O)N[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)[*:1]
COc1ccc(NC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1ccc(NC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@H](C1)NC(=O)O[*:1]
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 FC(F)(F)[*:1] N#C/C(=C\c1ccc(cc1)[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] N#C/C(=C\c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)[*:1]
C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)N[*:1]
C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1 C1CO[C@H](C1)C[*:1] C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1[*:1])c1ccc(F)cc1
CCCCN(Cc1ccccc1)C(=O)c1nc(-c2cnccn2)no1 c1ccc(cc1)[*:1] CCCCN(C[*:1])C(=O)c1nc(no1)-c1cnccn1
CCCCN(Cc1ccccc1)C(=O)c1nc(-c2cnccn2)no1 CCC[*:1] O=C(c1nc(no1)-c1cnccn1)N(Cc1ccccc1)C[*:1]
CCCCN(Cc1ccccc1)C(=O)c1nc(-c2cnccn2)no1 CCCC[*:1] O=C(c1nc(no1)-c1cnccn1)N(Cc1ccccc1)[*:1]
CCCCN(Cc1ccccc1)C(=O)c1nc(-c2cnccn2)no1 c1ccc(cc1)C[*:1] CCCCN(C(=O)c1nc(no1)-c1cnccn1)[*:1]
CCCCN(Cc1ccccc1)C(=O)c1nc(-c2cnccn2)no1 c1cnc(cn1)[*:1] CCCCN(Cc1ccccc1)C(=O)c1nc(no1)[*:1]
Cc1c(C(=O)N(C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)N(C)CC(C)(C)C[NH3+]
CO[C@@H](CNC(=O)c1cccc(NC(=O)NC(C)C)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)c1cccc(c1)NC(=O)NC(C)C)[*:1]
CO[C@@H](CNC(=O)c1cccc(NC(=O)NC(C)C)c1)c1ccc(F)cc1 CC(C)[*:1] CO[C@@H](CNC(=O)c1cccc(c1)NC(=O)N[*:1])c1ccc(F)cc1
CO[C@@H](CNC(=O)c1cccc(NC(=O)NC(C)C)c1)c1ccc(F)cc1 CC(C)NC(=O)N[*:1] CO[C@@H](CNC(=O)c1cccc(c1)[*:1])c1ccc(F)cc1
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@H]3c1cccc(OC(C)C)c1 CC(C)[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@H]3c1cccc(c1)O[*:1]
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@H]3c1cccc(OC(C)C)c1 CC(C)Oc1cccc(c1)[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@@H]3[*:1]
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@H]3c1cccc(OC(C)C)c1 CC(C)O[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@H]3c1cccc(c1)[*:1]
Cc1ccc(NC(=O)NCc2ccncc2)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)NCc1ccncc1
Cc1ccc(NC(=O)NCc2ccncc2)cc1C(F)(F)F c1cc(ccn1)C[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)N[*:1]
Cc1ccc(NC(=O)NCc2ccncc2)cc1C(F)(F)F c1cc(ccn1)[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)NC[*:1]
Cc1cc(CN2CCn3c(nnc3C(F)(F)F)C2)ccc1Br FC(F)(F)[*:1] Cc1cc(ccc1Br)CN1CCn2c(C1)nnc2[*:1]
COc1ccc(C)cc1Nc1ccc2cc(S(=O)(=O)N3CCCC3)ccc2n1 COc1ccc(C)cc1[*:1] O=S(=O)(c1ccc2nc(ccc2c1)N[*:1])N1CCCC1
COc1ccc(C)cc1Nc1ccc2cc(S(=O)(=O)N3CCCC3)ccc2n1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(C)cc1Nc1ccc2cc(ccc2n1)[*:1]
CO[C@@H](C)C(=O)c1cc(F)ccc1F CO[C@@H](C)[*:1] O=C(c1cc(F)ccc1F)[*:1]
CCc1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2C(=O)OC)s1 COC(=O)[*:1] CCc1ccc(s1)S(=O)(=O)N1CCc2sccc2[C@@H]1[*:1]
CCc1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2C(=O)OC)s1 CCc1ccc(s1)[*:1] COC(=O)[C@@H]1c2ccsc2CCN1S(=O)(=O)[*:1]
CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2[*:1]
CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2C[*:1]
Cc1c(Cl)cccc1-n1c(S[C@@H](C)C(N)=O)nc2ccccc2c1=O NC(=O)[*:1] Cc1c(Cl)cccc1-n1c(nc2ccccc2c1=O)S[C@@H](C)[*:1]
Cc1c(Cl)cccc1-n1c(S[C@@H](C)C(N)=O)nc2ccccc2c1=O Cc1c(Cl)cccc1[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1[*:1])C(N)=O
O=C(NCc1ccsc1)c1c(Cl)cccc1Cl c1cc(cs1)[*:1] O=C(NC[*:1])c1c(Cl)cccc1Cl
CCOc1ccc(NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)n(C)c2=O)cc1 CCO[*:1] COc1ccc(cc1)-n1nc(C(=O)Nc2ccc(cc2)[*:1])c(=O)n(C)c1=O
CCOc1ccc(NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)n(C)c2=O)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1)-n1nc(C(=O)N[*:1])c(=O)n(C)c1=O
CCOc1ccc(NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)n(C)c2=O)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)c1nn(c(=O)n(C)c1=O)[*:1]
COc1ccc(CCC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 COc1ccc(cc1)CC[*:1] COc1c2OCOc2cc2CC[N+](C)(C)[C@H](CC(=O)[*:1])c21
COc1ccc(CCC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 COc1ccc(cc1)C[*:1] COc1c2OCOc2cc2CC[N+](C)(C)[C@H](CC(=O)C[*:1])c21
COc1ccc(CCC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 COc1ccc(cc1)[*:1] COc1c2OCOc2cc2CC[N+](C)(C)[C@H](CC(=O)CC[*:1])c21
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3F)CC2)c1 Fc1cccnc1[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)[*:1]
CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3F)CC2)c1 CS(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)c1ncccc1F
Cc1ccc(NC(=O)CC/C=C/c2ccccc2)cc1C(=O)NC(C)C C(=C[*:1])c1ccccc1 Cc1ccc(cc1C(=O)NC(C)C)NC(=O)CC[*:1]
Cc1ccc(NC(=O)CC/C=C/c2ccccc2)cc1C(=O)NC(C)C c1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)NC(C)C)NC(=O)CCC=C[*:1]
Cc1ccc(NC(=O)CC/C=C/c2ccccc2)cc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)CC/C=C/c1ccccc1
Cc1ccc(NC(=O)CC/C=C/c2ccccc2)cc1C(=O)NC(C)C CC(C)[*:1] Cc1ccc(cc1C(=O)N[*:1])NC(=O)CC/C=C/c1ccccc1
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C2=O FC(F)(F)[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)C(=O)Nc1cc(ccc1N1CCOCC1)[*:1]
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C2=O C1CN(CCO1)[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 c1csc(c1)-c1cc([nH]n1)[*:1] O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 c1csc(c1)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1
O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cc(n[nH]1)-c1cccs1)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
O=C(NCc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)C(=O)NC[*:1]
Cc1nc(CCCNc2ccc(S(C)(=O)=O)cc2C)cs1 CS(=O)(=O)[*:1] Cc1nc(cs1)CCCNc1ccc(cc1C)[*:1]
Cc1nc(CCCNc2ccc(S(C)(=O)=O)cc2C)cs1 Cc1nc(cs1)[*:1] Cc1cc(ccc1NCCC[*:1])S(C)(=O)=O
Cc1nc(CCCNc2ccc(S(C)(=O)=O)cc2C)cs1 Cc1nc(cs1)C[*:1] Cc1cc(ccc1NCC[*:1])S(C)(=O)=O
CC(C)[C@@H](C)SCN1C(=O)c2ccccc2C1=O CC(C)[*:1] C[C@@H](SCN1C(=O)c2ccccc2C1=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 CCN(CC)S(=O)(=O)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1cccc2ccccc12
Cc1nc([C@@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)no1 FC(F)(F)[*:1] Cc1nc(no1)[C@@H]1CCCN(C1)c1nccc(n1)[*:1]
Cc1nc([C@@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)no1 Cc1nc(no1)[*:1] FC(F)(F)c1ccnc(n1)N1CCC[C@H](C1)[*:1]
CC(C)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NCc2ccccc2F)CC1 CC(C)[*:1] C[C@H](C(=O)NCc1ccccc1F)N1CCN(CC1)C(=O)C(=O)N[*:1]
CC(C)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NCc2ccccc2F)CC1 Fc1ccccc1C[*:1] CC(C)NC(=O)C(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
CC(C)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NCc2ccccc2F)CC1 Fc1ccccc1[*:1] CC(C)NC(=O)C(=O)N1CCN(CC1)[C@H](C)C(=O)NC[*:1]
OCc1cc(CC2(NCc3ccc(F)cc3)COC2)no1 OCc1cc(no1)[*:1] Fc1ccc(cc1)CNC1(COC1)C[*:1]
OCc1cc(CC2(NCc3ccc(F)cc3)COC2)no1 Fc1ccc(cc1)[*:1] OCc1cc(CC2(COC2)NC[*:1])no1
CC(=O)NC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 CC(=O)N[*:1] C[C@H](C(=O)N1CCC(CC1)[*:1])[NH+]1CCCCCC1
CN(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCC(C(=O)[O-])CC1 CN(C)C(=O)[*:1] O=C([O-])C1CCN(CC1)C(=O)[C@@H]1CC=CC[C@H]1[*:1]
CN(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] CN(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCC(CC1)[*:1]
CCOC(=O)c1cn[nH]c1Cc1ccc(Br)cc1 CCOC(=O)[*:1] Brc1ccc(cc1)Cc1[nH]ncc1[*:1]
CCCOc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br c1ccc(cc1)C[*:1] CCCOc1cc(ccc1Br)S(=O)(=O)N1CCN(CC1)[*:1]
CCCOc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br CCCO[*:1] O=S(=O)(c1ccc(Br)c(c1)[*:1])N1CCN(CC1)Cc1ccccc1
CCCOc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br CCC[*:1] O=S(=O)(c1ccc(Br)c(c1)O[*:1])N1CCN(CC1)Cc1ccccc1
CCCOc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br c1ccc(cc1)[*:1] CCCOc1cc(ccc1Br)S(=O)(=O)N1CCN(CC1)C[*:1]
C[C@@H](NC[C@H](O)c1ccncc1)c1ccccc1Cl c1cc(ccn1)[*:1] C[C@@H](NC[C@H](O)[*:1])c1ccccc1Cl
Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)C(=O)[C@H](C)Sc1nnc(n1-c1ccccc1)[*:1]
Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)[*:1]
Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C(=O)[C@H](C)Sc1nnc(C2CC2)n1[*:1]
O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 O=[N+]([O-])[*:1] O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(cc1)[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@H](c2ccc(cc2)[N+](=O)[O-])N1c1ccc(F)cc1)[*:1]
O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)[N+](=O)[O-])[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(cc2)[N+](=O)[O-])N1c1ccc(F)cc1
CC(C)Oc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)Oc1ccccc1NC(=O)N1CCC[C@@H]1[*:1]
CC(C)Oc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 CC(C)O[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
CC(C)Oc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(Nc1ccccc1O[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
O=C1[NH+]=c2ccc(C(=O)CN3CCO[C@@H](c4ccccc4)C3)cc2=[NH+]1 c1ccc(cc1)[*:1] O=C1[NH+]=c2ccc(cc2=[NH+]1)C(=O)CN1CCO[C@@H](C1)[*:1]
O=C(Nc1cccc(OC(F)F)c1)c1coc(-c2ccccc2)n1 FC(F)O[*:1] O=C(Nc1cccc(c1)[*:1])c1coc(n1)-c1ccccc1
O=C(Nc1cccc(OC(F)F)c1)c1coc(-c2ccccc2)n1 FC(F)[*:1] O=C(Nc1cccc(c1)O[*:1])c1coc(n1)-c1ccccc1
O=C(Nc1cccc(OC(F)F)c1)c1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)OC(F)F)c1coc(n1)[*:1]
Cn1c(N2CCC[C@H](C(=O)NCCN3CCN(c4ccccc4F)CC3)C2)cc(=O)n(C)c1=O Fc1ccccc1[*:1] Cn1c(cc(=O)n(C)c1=O)N1CCC[C@@H](C1)C(=O)NCCN1CCN(CC1)[*:1]
Cn1c(N2CCC[C@H](C(=O)NCCN3CCN(c4ccccc4F)CC3)C2)cc(=O)n(C)c1=O Cn1c(cc(=O)n(C)c1=O)[*:1] O=C(NCCN1CCN(CC1)c1ccccc1F)[C@H]1CCCN(C1)[*:1]
CC(C)[C@@H]1C[C@@H](NC(=O)CCN2C(=O)COc3ccccc32)CCO1 CC(C)[*:1] O=C(CCN1C(=O)COc2ccccc21)N[C@H]1CCO[C@@H](C1)[*:1]
COc1ccc(-c2noc(CCC(=O)Nc3ccc(F)cc3Cl)n2)cc1 Fc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)-c1noc(CCC(=O)N[*:1])n1
COc1ccc(-c2noc(CCC(=O)Nc3ccc(F)cc3Cl)n2)cc1 COc1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])Nc1ccc(F)cc1Cl
Cc1nc(CN2C[C@H](C)[NH2+]C[C@@H]2C2CCCCC2)sc1C Cc1nc(sc1C)[*:1] C[C@H]1CN(C[*:1])[C@H](C[NH2+]1)C1CCCCC1
Cc1nc(CN2C[C@H](C)[NH2+]C[C@@H]2C2CCCCC2)sc1C C1CCC(CC1)[*:1] Cc1nc(CN2C[C@H](C)[NH2+]C[C@H]2[*:1])sc1C
O=C([O-])Cn1c(=O)c2c3c(sc2n(Cc2ccc(Cl)cc2Cl)c1=O)CCCC3 Clc1ccc(c(Cl)c1)[*:1] O=C([O-])Cn1c(=O)c2c3CCCCc3sc2n(C[*:1])c1=O
O=C([O-])Cn1c(=O)c2c3c(sc2n(Cc2ccc(Cl)cc2Cl)c1=O)CCCC3 O=C([O-])C[*:1] O=c1c2c3CCCCc3sc2n(Cc2ccc(Cl)cc2Cl)c(=O)n1[*:1]
O=C([O-])Cn1c(=O)c2c3c(sc2n(Cc2ccc(Cl)cc2Cl)c1=O)CCCC3 Clc1ccc(C[*:1])c(Cl)c1 O=C([O-])Cn1c(=O)c2c3CCCCc3sc2n(c1=O)[*:1]
O=C([O-])Cn1c(=O)c2c3c(sc2n(Cc2ccc(Cl)cc2Cl)c1=O)CCCC3 O=C([O-])[*:1] O=c1c2c3CCCCc3sc2n(Cc2ccc(Cl)cc2Cl)c(=O)n1C[*:1]
O=C1Nc2ccc(F)cc2/C1=C/C(=O)c1ccccc1F Fc1ccccc1[*:1] O=C1Nc2ccc(F)cc2/C1=C/C(=O)[*:1]
CCc1c(Cl)ncnc1N(CC(C)C)C(CC)CC CC(C)C[*:1] CCc1c(Cl)ncnc1N(C(CC)CC)[*:1]
CCc1c(Cl)ncnc1N(CC(C)C)C(CC)CC CC(C)[*:1] CCc1c(Cl)ncnc1N(C[*:1])C(CC)CC
CCc1c(Cl)ncnc1N(CC(C)C)C(CC)CC CCC(CC)[*:1] CCc1c(Cl)ncnc1N(CC(C)C)[*:1]
COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(F)cc1 CN(C)S(=O)(=O)[*:1] COc1ccc(cc1C(=O)Nc1ccc(F)cc1)[*:1]
COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1C(=O)N[*:1])S(=O)(=O)N(C)C
CCCn1c(C)nn(CN2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1=S CCC[*:1] CC[NH+]1CCN(CC1)[C@@H]1CCN(C1)Cn1nc(C)n(c1=S)[*:1]
C[C@H]1C[C@@H]1NC(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] C[C@H]1C[C@@H]1NC(=O)c1cc(ccc1Cl)[*:1]
C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H](O)[*:1]
Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Br)ccc3OCC#N)C2=O)cc1 Cc1ccc(cc1)[*:1] N#CCOc1ccc(Br)cc1/C=C1\SC(=O)N(CCO[*:1])C1=O
Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Br)ccc3OCC#N)C2=O)cc1 Cc1ccc(cc1)OC[*:1] N#CCOc1ccc(Br)cc1/C=C1\SC(=O)N(C[*:1])C1=O
Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Br)ccc3OCC#N)C2=O)cc1 N#CCO[*:1] Cc1ccc(cc1)OCCN1C(=O)S/C(=C\c2cc(Br)ccc2[*:1])C1=O
Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Br)ccc3OCC#N)C2=O)cc1 N#CC[*:1] Cc1ccc(cc1)OCCN1C(=O)S/C(=C\c2cc(Br)ccc2O[*:1])C1=O
Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Br)ccc3OCC#N)C2=O)cc1 Cc1ccc(cc1)O[*:1] N#CCOc1ccc(Br)cc1/C=C1\SC(=O)N(CC[*:1])C1=O
CCc1ccc(NC(=O)Cc2nc(-c3ccc(N4CCCC4=O)cc3)cs2)cc1 CCc1ccc(cc1)[*:1] O=C(Cc1nc(cs1)-c1ccc(cc1)N1CCCC1=O)N[*:1]
CCc1ccc(NC(=O)Cc2nc(-c3ccc(N4CCCC4=O)cc3)cs2)cc1 O=C1CCCN1[*:1] CCc1ccc(cc1)NC(=O)Cc1nc(cs1)-c1ccc(cc1)[*:1]
Fc1ccc(NCc2ncc(-c3ccccc3)o2)c(F)c1F c1ccc(cc1)[*:1] Fc1ccc(NCc2ncc(o2)[*:1])c(F)c1F
C[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1nc(C(C)(C)C)no1 C1CO[C@H](C1)C[*:1] C[C@@H](Sc1nnnn1[*:1])c1nc(no1)C(C)(C)C
C[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1nc(C(C)(C)C)no1 C1CO[C@H](C1)[*:1] C[C@@H](Sc1nnnn1C[*:1])c1nc(no1)C(C)(C)C
C[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1nc(no1)[*:1]
CC(C)NC(=O)Nc1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)c1ccc(cc1)NC(=O)N[*:1]
CC(C)NC(=O)Nc1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1nscc1C(=O)NC1CC1 C1CC1[*:1] Cc1nscc1C(=O)N[*:1]
O=C(Nc1cc[nH]n1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(Nc1cc[nH]n1)c1cccc(c1)S(=O)(=O)[*:1]
O=C(Nc1cc[nH]n1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1cc[nH]n1)c1cccc(c1)S(=O)(=O)C[*:1]
O=C(Nc1cc[nH]n1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 O=C(Nc1cc[nH]n1)[*:1] O=S(=O)(Cc1ccccc1)c1cccc(c1)[*:1]
NC(=O)c1cccc(NC(=O)c2cccs2)c1 NC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccs1
NC(=O)c1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] NC(=O)c1cccc(c1)NC(=O)[*:1]
CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 CCC[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@@H](c3ccc(cc3)OC[*:1])c12
CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 CCCC[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@@H](c3ccc(cc3)O[*:1])c12
CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 CCCCO[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@@H](c3ccc(cc3)[*:1])c12
COC(=O)[C@@]1([NH3+])CCC[C@@H](n2nc(C)c(C)c2C)C1 COC(=O)[*:1] Cc1nn(c(C)c1C)[C@@H]1CCC[C@]([NH3+])(C1)[*:1]
CC(C)(CNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NCC(=O)N1CCN(CC1)c1ccccc1)NC[*:1]
CC(C)(CNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)c1ccncc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)NCC(=O)N1CCN(CC1)[*:1])c1ccncc1
CC(C)(CNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)NCC(=O)N1CCN(CC1)c1ccccc1)[*:1]
Cc1ccc(NC(=O)C(=O)NCC(O)(c2cccs2)c2cccs2)cc1C Cc1ccc(cc1C)[*:1] O=C(NCC(O)(c1cccs1)c1cccs1)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCC(O)(c2cccs2)c2cccs2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)NC(=O)C(=O)NCC(O)(c1cccs1)[*:1]
CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)COC3)[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2COCc2c1)[*:1]
CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)COC3)[NH+](C)C)cc1 c1cc2COCc2cc1[*:1] CCc1ccc(cc1)[C@@H](CNC(=O)C(=O)N[*:1])[NH+](C)C
C[C@H](O)CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F C[C@H](O)C[*:1] O=C(C[*:1])Nc1cc(c(F)cc1F)[N+](=O)[O-]
C[C@H](O)CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F C[C@H](O)CC[*:1] O=C(Nc1cc(c(F)cc1F)[N+](=O)[O-])[*:1]
C[C@H](O)CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F O=[N+]([O-])[*:1] C[C@H](O)CCC(=O)Nc1cc(c(F)cc1F)[*:1]
C[C@H](O)CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F C[C@H](O)[*:1] O=C(CC[*:1])Nc1cc(c(F)cc1F)[N+](=O)[O-]
O=C(C[NH+]1CCC(NC(=O)CSc2ccc(F)cc2)CC1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(CSc1ccc(F)cc1)NC1CC[NH+](CC1)C[*:1]
O=C(C[NH+]1CCC(NC(=O)CSc2ccc(F)cc2)CC1)Nc1ccccc1 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)CS[*:1])Nc1ccccc1
O=C(C[NH+]1CCC(NC(=O)CSc2ccc(F)cc2)CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ccc(F)cc1)NC1CC[NH+](CC1)CC(=O)N[*:1]
O=C(C[NH+]1CCC(NC(=O)CSc2ccc(F)cc2)CC1)Nc1ccccc1 Fc1ccc(cc1)S[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)C[*:1])Nc1ccccc1
O=C(C[NH+]1CCC(NC(=O)CSc2ccc(F)cc2)CC1)Nc1ccccc1 Fc1ccc(cc1)SC[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)[*:1])Nc1ccccc1
Cn1ncnc1CCNC(=O)Nc1cccc(OCC(F)(F)F)c1 Cn1ncnc1CC[*:1] O=C(Nc1cccc(c1)OCC(F)(F)F)N[*:1]
Cn1ncnc1CCNC(=O)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)C[*:1] Cn1ncnc1CCNC(=O)Nc1cccc(c1)O[*:1]
Cn1ncnc1CCNC(=O)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] Cn1ncnc1CCNC(=O)Nc1cccc(c1)[*:1]
Cn1ncnc1CCNC(=O)Nc1cccc(OCC(F)(F)F)c1 Cn1ncnc1C[*:1] O=C(NC[*:1])Nc1cccc(c1)OCC(F)(F)F
Cn1ncnc1CCNC(=O)Nc1cccc(OCC(F)(F)F)c1 Cn1ncnc1[*:1] O=C(NCC[*:1])Nc1cccc(c1)OCC(F)(F)F
Cn1ncnc1CCNC(=O)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)[*:1] Cn1ncnc1CCNC(=O)Nc1cccc(c1)OC[*:1]
Cc1ccc(C(=O)O/N=C(\N)c2cccnc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)C(=O)O/N=C(\N)[*:1]
CCn1nnnc1-c1cccc(NC(=O)CCCn2ccnn2)c1 c1cn(C[*:1])nn1 CCn1nnnc1-c1cccc(c1)NC(=O)CC[*:1]
CCn1nnnc1-c1cccc(NC(=O)CCCn2ccnn2)c1 c1cn(CC[*:1])nn1 CCn1nnnc1-c1cccc(c1)NC(=O)C[*:1]
CCn1nnnc1-c1cccc(NC(=O)CCCn2ccnn2)c1 c1cn(nn1)[*:1] CCn1nnnc1-c1cccc(c1)NC(=O)CCC[*:1]
CCn1nnnc1-c1cccc(NC(=O)CCCn2ccnn2)c1 CCn1nnnc1[*:1] O=C(CCCn1ccnn1)Nc1cccc(c1)[*:1]
CCn1nnnc1-c1cccc(NC(=O)CCCn2ccnn2)c1 c1cn(CCC[*:1])nn1 CCn1nnnc1-c1cccc(c1)NC(=O)[*:1]
Cc1c(Cl)cccc1NC(=O)CS[C@@H]1N=NC(=O)[C@H]2C=C(c3ccc(F)cc3)NN12 Fc1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)CS[C@@H]1N=NC(=O)[C@H]2C=C(NN12)[*:1]
Cc1c(Cl)cccc1NC(=O)CS[C@@H]1N=NC(=O)[C@H]2C=C(c3ccc(F)cc3)NN12 Cc1c(Cl)cccc1[*:1] O=C(CS[C@@H]1N=NC(=O)[C@H]2C=C(NN12)c1ccc(F)cc1)N[*:1]
Cc1cn2cc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)ccc2n1 Fc1ccc(cc1)[*:1] Cc1cn2cc(ccc2n1)NC(=O)c1nn(c2CCCCc12)[*:1]
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSCC(F)(F)F FC(F)(F)CS[*:1] Cc1ccc(cc1NC(=O)C[*:1])NC(=O)C(C)(C)C
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSCC(F)(F)F FC(F)(F)CSC[*:1] Cc1ccc(cc1NC(=O)[*:1])NC(=O)C(C)(C)C
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSCC(F)(F)F FC(F)(F)C[*:1] Cc1ccc(cc1NC(=O)CS[*:1])NC(=O)C(C)(C)C
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSCC(F)(F)F CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)CSCC(F)(F)F)NC(=O)[*:1]
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSCC(F)(F)F CC(C)(C)C(=O)N[*:1] Cc1ccc(cc1NC(=O)CSCC(F)(F)F)[*:1]
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CSCC(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)CSC[*:1])NC(=O)C(C)(C)C
COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1[*:1]
COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccccc1Cl COC(=O)[*:1] CC1Nc2[nH]c(=S)[nH]c(=O)c2[C@H](C=1[*:1])c1ccccc1Cl
Cc1nnc(S[C@H]2CCOC3(CCC3)C2)n1CC[NH3+] [NH3+]CC[*:1] Cc1nnc(S[C@H]2CCOC3(CCC3)C2)n1[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)Nc2cc(OC)ccc2Cl)cc1 COc1ccc(cc1)[*:1] COc1ccc(Cl)c(c1)NC(=O)N[C@@H](C)[C@H](O)[*:1]
CO[C@@H](C)C(=O)c1cccc2cnccc12 CO[C@@H](C)[*:1] O=C(c1cccc2cnccc12)[*:1]
CCc1ccc(N2C[C@H](c3nnc(NC(=O)Cc4ccc(F)cc4)s3)CC2=O)cc1 Fc1ccc(cc1)C[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])s1
CCc1ccc(N2C[C@H](c3nnc(NC(=O)Cc4ccc(F)cc4)s3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
CCc1ccc(N2C[C@H](c3nnc(NC(=O)Cc4ccc(F)cc4)s3)CC2=O)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)C[*:1])s1
C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 Clc1ccccc1C[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 Clc1ccccc1[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)C[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(cc1)[*:1]
O=C(NO[C@@H]1CCCCO1)c1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NO[C@@H]1CCCCO1)c1ccccc1C(=O)[*:1]
O=C(NO[C@@H]1CCCCO1)c1ccccc1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(NO[C@@H]1CCCCO1)c1ccccc1[*:1]
CCC(CC)NC(=O)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 Cc1ccc(cc1C)[*:1] CCC(CC)NC(=O)C(=O)Nc1ccc(nc1)O[*:1]
CCC(CC)NC(=O)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 CCC(CC)[*:1] Cc1ccc(cc1C)Oc1ccc(cn1)NC(=O)C(=O)N[*:1]
CC(=O)Nc1nc2cc(NC(=O)Nc3ccc(C)cc3)ccc2s1 CC(=O)N[*:1] Cc1ccc(cc1)NC(=O)Nc1ccc2sc(nc2c1)[*:1]
CC(=O)Nc1nc2cc(NC(=O)Nc3ccc(C)cc3)ccc2s1 Cc1ccc(cc1)[*:1] CC(=O)Nc1nc2cc(ccc2s1)NC(=O)N[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)Nc2c(C)cc(C)cc23)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cc(C)c2NC(=O)[C@@]3(Nc4ccccc4C(=O)N3[*:1])c2c1
C[C@@H](CNC(=O)NCC[S@](C)=O)C[NH+]1CCCCC1 C[S@](=O)CC[*:1] C[C@@H](CNC(=O)N[*:1])C[NH+]1CCCCC1
C[C@@H](CNC(=O)NCC[S@](C)=O)C[NH+]1CCCCC1 C[S@](=O)[*:1] C[C@@H](CNC(=O)NCC[*:1])C[NH+]1CCCCC1
C[C@@H](CNC(=O)NCC[S@](C)=O)C[NH+]1CCCCC1 C[S@](=O)C[*:1] C[C@@H](CNC(=O)NC[*:1])C[NH+]1CCCCC1
Cn1cnnc1SCc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 Cn1cnnc1[*:1] O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(cc1)CS[*:1]
Cn1cnnc1SCc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 Cn1cnnc1S[*:1] O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(cc1)C[*:1]
Cn1cnnc1SCc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 Cn1cnnc1SC[*:1] O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(cc1)[*:1]
Cn1cnnc1SCc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)C[*:1] Cn1cnnc1SCc1ccc(cc1)C(=O)NNC(=O)[*:1]
Cn1cnnc1SCc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)[*:1] Cn1cnnc1SCc1ccc(cc1)C(=O)NNC(=O)C[*:1]
CCNC(=O)/C=C/c1cc(OC)ccc1OC CCNC(=O)[*:1] COc1ccc(OC)c(C=C[*:1])c1
O=C(CCC1OCCCO1)c1c(F)cccc1F C1COC(OC1)[*:1] O=C(CC[*:1])c1c(F)cccc1F
O=[N+]([O-])c1cc(Cl)ccc1OC1CC[NH2+]CC1 O=[N+]([O-])[*:1] Clc1ccc(OC2CC[NH2+]CC2)c(c1)[*:1]
Cn1cc(I)c(=O)n(CC(=O)NC[C@H]2CCCO2)c1=O C1CO[C@H](C1)C[*:1] Cn1cc(I)c(=O)n(CC(=O)N[*:1])c1=O
Cn1cc(I)c(=O)n(CC(=O)NC[C@H]2CCCO2)c1=O C1CO[C@H](C1)[*:1] Cn1cc(I)c(=O)n(CC(=O)NC[*:1])c1=O
COc1ccc([C@H]2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1N(CCN1S(=O)(=O)[*:1])C(=O)N1CCOCC1
COc1ccc([C@H]2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N1CCOCC1)N1CCN([C@H]1[*:1])S(=O)(=O)c1ccccc1
CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)c1ccc2ccccc2c1
Cc1csc(C[C@@]2(C[NH2+]C(C)(C)C)C[C@H]3CC[C@@H]2C3)n1 CC(C)(C)[*:1] Cc1csc(C[C@@]2(C[NH2+][*:1])C[C@H]3CC[C@@H]2C3)n1
Cc1csc(C[C@@]2(C[NH2+]C(C)(C)C)C[C@H]3CC[C@@H]2C3)n1 Cc1csc(n1)[*:1] CC(C)(C)[NH2+]C[C@@]1(C[C@H]2CC[C@@H]1C2)C[*:1]
O=S(=O)(NC[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(NC[C@H](c1cccnc1)N1CCN(CC1)c1ccccc1F)[*:1]
O=S(=O)(NC[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 Fc1ccccc1[*:1] O=S(=O)(NC[C@H](c1cccnc1)N1CCN(CC1)[*:1])c1ccc(Cl)cc1
O=S(=O)(NC[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 c1cncc(c1)[*:1] O=S(=O)(NC[C@H](N1CCN(CC1)c1ccccc1F)[*:1])c1ccc(Cl)cc1
N#Cc1csc(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)c1 C1CCC(C1)O[*:1] N#Cc1csc(c1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
N#Cc1csc(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)c1 C1CCC(C1)[*:1] N#Cc1csc(c1)C(=O)N[C@H]1CCCC[C@H]1O[*:1]
N#Cc1csc(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)c1 N#Cc1csc(c1)[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)[*:1]
Cc1cc(OCc2csc(CCc3ccccc3)n2)nnc1C c1ccc(cc1)C[*:1] Cc1cc(nnc1C)OCc1csc(C[*:1])n1
Cc1cc(OCc2csc(CCc3ccccc3)n2)nnc1C c1ccc(cc1)[*:1] Cc1cc(nnc1C)OCc1csc(CC[*:1])n1
Cn1nc2n(c1=O)CCN(CC(=O)Nc1cccc(C(=O)NC3CC3)c1)C2 C1CC1[*:1] Cn1nc2CN(CCn2c1=O)CC(=O)Nc1cccc(c1)C(=O)N[*:1]
Cn1nc2n(c1=O)CCN(CC(=O)Nc1cccc(C(=O)NC3CC3)c1)C2 O=C(NC1CC1)[*:1] Cn1nc2CN(CCn2c1=O)CC(=O)Nc1cccc(c1)[*:1]
Cc1c(OCC(=O)OCc2ccccc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O c1ccc(cc1)C[*:1] Cc1c(ccc2C(=O)/C(=C/c3ccc4OCOc4c3)Oc21)OCC(=O)O[*:1]
Cc1c(OCC(=O)OCc2ccccc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O c1ccc(cc1)[*:1] Cc1c(ccc2C(=O)/C(=C/c3ccc4OCOc4c3)Oc21)OCC(=O)OC[*:1]
Cc1c(OCC(=O)OCc2ccccc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O O=C(C[*:1])OCc1ccccc1 Cc1c(ccc2C(=O)/C(=C/c3ccc4OCOc4c3)Oc21)O[*:1]
Cc1c(OCC(=O)OCc2ccccc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O O=C(OCc1ccccc1)[*:1] Cc1c(ccc2C(=O)/C(=C/c3ccc4OCOc4c3)Oc21)OC[*:1]
Cc1c(OCC(=O)OCc2ccccc2)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O c1cc2OCOc2cc1[*:1] Cc1c(ccc2C(=O)C(=C[*:1])Oc21)OCC(=O)OCc1ccccc1
CCNC(=O)C[NH2+]Cc1csc(C(C)(C)C)n1 CCNC(=O)[*:1] CC(C)(C)c1nc(cs1)C[NH2+]C[*:1]
CCNC(=O)C[NH2+]Cc1csc(C(C)(C)C)n1 CC(C)(C)[*:1] CCNC(=O)C[NH2+]Cc1csc(n1)[*:1]
Cc1nc(N2CCN([C@H](C)c3cccnc3)CC2)nc(C)c1CC(C)C C[C@H](c1cccnc1)[*:1] Cc1nc(nc(C)c1CC(C)C)N1CCN(CC1)[*:1]
Cc1nc(N2CCN([C@H](C)c3cccnc3)CC2)nc(C)c1CC(C)C CC(C)C[*:1] Cc1nc(nc(C)c1[*:1])N1CCN(CC1)[C@H](C)c1cccnc1
Cc1nc(N2CCN([C@H](C)c3cccnc3)CC2)nc(C)c1CC(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[*:1])N1CCN(CC1)[C@H](C)c1cccnc1
Cc1nc(N2CCN([C@H](C)c3cccnc3)CC2)nc(C)c1CC(C)C c1cncc(c1)[*:1] Cc1nc(nc(C)c1CC(C)C)N1CCN(CC1)[C@H](C)[*:1]
COc1ccc(C(=O)O[C@H](C)/C(O)=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)O[C@H](C)/C(O)=N/c1c(C)n(C)n(c1=O)[*:1]
COc1ccc(C(=O)O[C@H](C)/C(O)=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1c(/N=C(\O)[C@@H](C)OC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
O=S(=O)(N1CCCCC1)N1CCC[C@H]1[C@@H]1CCCC[C@@H]1O O[C@H]1CCCC[C@H]1[*:1] O=S(=O)(N1CCCCC1)N1CCC[C@@H]1[*:1]
C[C@H]1CCCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)C1 c1csc(c1)[*:1] C[C@H]1CCCN(C1)C(=O)CSCC(=O)Nc1nc(cs1)[*:1]
CC[C@H]1CCCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H]1CCCCN1C(=O)c1ccc(C)c(c1)[*:1]
C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)C(N)=O)[*:1]
Cc1nn2c(=O)cc(CSc3ccccc3NC(=O)c3ccc(Cl)cc3)nc2s1 Clc1ccc(cc1)[*:1] Cc1nn2c(=O)cc(CSc3ccccc3NC(=O)[*:1])nc2s1
Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] Cc1noc(C)c1CSc1ccccc1C(=O)NC[*:1]
Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] Cc1noc(C)c1CSc1ccccc1C(=O)N[*:1]
Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccccc1Cl Cc1noc(C)c1C[*:1] O=C(NCc1ccccc1Cl)c1ccccc1S[*:1]
Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccccc1Cl Cc1noc(C)c1[*:1] O=C(NCc1ccccc1Cl)c1ccccc1SC[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1Cc1ccco1 c1coc(c1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1C[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1Cc1ccco1 c1coc(c1)C[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1Cc1ccco1 c1ccc(cc1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](N1Cc1ccco1)[*:1]
CC[C@H](CCO)C[NH2+]Cc1ccnn1C OCC[*:1] CC[C@H](C[NH2+]Cc1ccnn1C)[*:1]
CCOC(=O)N[C@@H](C(=O)N[C@@H]1C=C(C(F)(F)F)C=NC1=O)C(C)C CC(C)[*:1] CCOC(=O)N[C@@H](C(=O)N[C@@H]1C=C(C=NC1=O)C(F)(F)F)[*:1]
CCOC(=O)N[C@@H](C(=O)N[C@@H]1C=C(C(F)(F)F)C=NC1=O)C(C)C CCOC(=O)N[*:1] CC(C)[C@H](C(=O)N[C@@H]1C=C(C=NC1=O)C(F)(F)F)[*:1]
CCOC(=O)N[C@@H](C(=O)N[C@@H]1C=C(C(F)(F)F)C=NC1=O)C(C)C FC(F)(F)[*:1] CCOC(=O)N[C@@H](C(=O)N[C@@H]1C=C(C=NC1=O)[*:1])C(C)C
C[C@@H](C(=O)N[C@H](C)Cc1ccccc1F)n1nnc(-c2ccccc2)n1 Fc1ccccc1C[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])n1nnc(n1)-c1ccccc1
C[C@@H](C(=O)N[C@H](C)Cc1ccccc1F)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@H](C)Cc1ccccc1F)n1nnc(n1)[*:1]
C[C@@H](C(=O)N[C@H](C)Cc1ccccc1F)n1nnc(-c2ccccc2)n1 Fc1ccccc1[*:1] C[C@@H](C(=O)N[C@H](C)C[*:1])n1nnc(n1)-c1ccccc1
CC(C)(C)c1cnc(CN[C@@H](c2ccccc2)c2ccccn2)o1 CC(C)(C)[*:1] c1ccc(cc1)[C@H](NCc1ncc(o1)[*:1])c1ccccn1
CC(C)(C)c1cnc(CN[C@@H](c2ccccc2)c2ccccn2)o1 c1ccc(nc1)[*:1] CC(C)(C)c1cnc(CN[C@@H](c2ccccc2)[*:1])o1
CC(C)(C)c1cnc(CN[C@@H](c2ccccc2)c2ccccn2)o1 c1ccc(cc1)[*:1] CC(C)(C)c1cnc(CN[C@@H](c2ccccn2)[*:1])o1
CC(C)CNC(=O)CNC(=O)Nc1cccc2cccnc12 CC(C)C[*:1] O=C(CNC(=O)Nc1cccc2cccnc12)N[*:1]
CC(C)CNC(=O)CNC(=O)Nc1cccc2cccnc12 CC(C)[*:1] O=C(CNC(=O)Nc1cccc2cccnc12)NC[*:1]
CC(C)CNC(=O)CNC(=O)Nc1cccc2cccnc12 CC(C)CNC(=O)[*:1] O=C(NC[*:1])Nc1cccc2cccnc12
C[C@@H]1CN(c2ccccc2C(F)(F)F)C(=O)NC1=O FC(F)(F)[*:1] C[C@@H]1CN(C(=O)NC1=O)c1ccccc1[*:1]
O=C(CN1CCCSc2ccccc21)NCc1ccco1 c1coc(c1)C[*:1] O=C(CN1CCCSc2ccccc21)N[*:1]
O=C(CN1CCCSc2ccccc21)NCc1ccco1 c1coc(c1)[*:1] O=C(CN1CCCSc2ccccc21)NC[*:1]
CCCCCN(C(=O)c1cccc(OC)c1F)C(C)C CCC[*:1] COc1cccc(C(=O)N(CC[*:1])C(C)C)c1F
CCCCCN(C(=O)c1cccc(OC)c1F)C(C)C CC(C)[*:1] CCCCCN(C(=O)c1cccc(OC)c1F)[*:1]
CCCCCN(C(=O)c1cccc(OC)c1F)C(C)C CCCCC[*:1] COc1cccc(C(=O)N(C(C)C)[*:1])c1F
CCCCCN(C(=O)c1cccc(OC)c1F)C(C)C CCCC[*:1] COc1cccc(C(=O)N(C[*:1])C(C)C)c1F
O=C([O-])c1cnc([C@H]2CSCCS2)[nH]c1=O O=C([O-])[*:1] O=c1[nH]c(ncc1[*:1])[C@H]1CSCCS1
C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](NC(=O)Cc1ccc(Br)cc1)[*:1]
O=C(OCCF)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)cc1F O=C(OCCF)[*:1] O=C(Nc1ccc(F)cc1F)[C@@H]1CCCC[C@@H]1[*:1]
O=C(OCCF)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)cc1F FCC[*:1] O=C(O[*:1])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)cc1F
CCN(CCO)c1ccc(C=O)c(C)c1 OCC[*:1] CCN(c1ccc(C=O)c(C)c1)[*:1]
O=C(NCc1ccccn1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 C1CC1[*:1] O=C(NCc1ccccn1)C(=O)Nc1ccc2oc(nc2c1)[*:1]
O=C(NCc1ccccn1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 c1ccc(C[*:1])nc1 O=C(Nc1ccc2oc(nc2c1)C1CC1)C(=O)N[*:1]
O=C(NCc1ccccn1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 c1ccc(nc1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2oc(nc2c1)C1CC1
COc1cccc2c1N(C(=O)Cn1c(-c3ccc(F)cc3)c(C)sc1=O)CCC2 Fc1ccc(cc1)[*:1] COc1cccc2CCCN(C(=O)Cn3c(c(C)sc3=O)[*:1])c21
O=C(Cc1ccsc1)N1CCC[C@@H](c2ccnc3nc(C(F)(F)F)nn23)C1 c1cc(cs1)C[*:1] O=C(N1CCC[C@H](C1)c1ccnc2nc(nn12)C(F)(F)F)[*:1]
O=C(Cc1ccsc1)N1CCC[C@@H](c2ccnc3nc(C(F)(F)F)nn23)C1 c1cc(cs1)[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1ccnc2nc(nn12)C(F)(F)F
O=C(Cc1ccsc1)N1CCC[C@@H](c2ccnc3nc(C(F)(F)F)nn23)C1 FC(F)(F)[*:1] O=C(Cc1ccsc1)N1CCC[C@H](C1)c1ccnc2nc(nn12)[*:1]
CCCCCc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1 CCC[*:1] O=C(Nc1nnc(CC[*:1])s1)c1cc2ccccc2oc1=O
CCCCCc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1 CCCCC[*:1] O=C(Nc1nnc(s1)[*:1])c1cc2ccccc2oc1=O
CCCCCc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1 CCCC[*:1] O=C(Nc1nnc(C[*:1])s1)c1cc2ccccc2oc1=O
CC[C@@H](C)N(CC)c1cc(C(=O)[O-])c2ccccc2[nH+]1 O=C([O-])[*:1] CC[C@@H](C)N(CC)c1cc(c2ccccc2[nH+]1)[*:1]
CC[C@@H](C)N(CC)c1cc(C(=O)[O-])c2ccccc2[nH+]1 CC[C@@H](C)[*:1] CCN(c1cc(C(=O)[O-])c2ccccc2[nH+]1)[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1ccc2c(c1)nc(C)n2C COC(=O)[*:1] Cc1nc2cc(ccc2n1C)C(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
O=Cc1c(N2CCN(c3ccccc3F)CC2)nc2ccccn2c1=O Fc1ccccc1[*:1] O=Cc1c(nc2ccccn2c1=O)N1CCN(CC1)[*:1]
CNS(=O)(=O)c1ccc(NCc2cc(C#N)cs2)cc1 CNS(=O)(=O)[*:1] N#Cc1csc(c1)CNc1ccc(cc1)[*:1]
CCCN1CCc2c(sc3ncn4nc(CO/N=C(/C)c5ccccc5)nc4c23)C1 CCC[*:1] C/C(=N/OCc1nc2c3c4CCN(Cc4sc3ncn2n1)[*:1])c1ccccc1
CCCN1CCc2c(sc3ncn4nc(CO/N=C(/C)c5ccccc5)nc4c23)C1 c1ccc(cc1)[*:1] CCCN1CCc2c(C1)sc1ncn3nc(CON=C(C)[*:1])nc3c21
CCCN1CCc2c(sc3ncn4nc(CO/N=C(/C)c5ccccc5)nc4c23)C1 C/C(=N/O[*:1])c1ccccc1 CCCN1CCc2c(C1)sc1ncn3nc(C[*:1])nc3c21
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NCCOC COCC[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)N[*:1]
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NCCOC COC[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NC[*:1]
C[C@@]1(C(N)=O)Sc2ccccc2NC1=O NC(=O)[*:1] C[C@]1(Sc2ccccc2NC1=O)[*:1]
COCC[C@H](C[NH2+]C(C)(C)C)c1ccc(C)cc1 CC(C)(C)[*:1] COCC[C@H](C[NH2+][*:1])c1ccc(C)cc1
COCC[C@H](C[NH2+]C(C)(C)C)c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)[C@@H](C[NH2+]C(C)(C)C)C[*:1]
COCC[C@H](C[NH2+]C(C)(C)C)c1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)[C@@H](C[NH2+]C(C)(C)C)[*:1]
C[C@H](NC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1)C1CC1 FC(F)(F)[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(cc1)OC[*:1])C1CC1
C[C@H](NC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1)C1CC1 FC(F)(F)CO[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(cc1)[*:1])C1CC1
C[C@H](NC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1)C1CC1 FC(F)(F)C[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(cc1)O[*:1])C1CC1
C[C@H](NC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1)C1CC1 C1CC1[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(cc1)OCC(F)(F)F)[*:1]
C[C@H](NC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1)C1CC1 C[C@H](C1CC1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)OCC(F)(F)F
Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC1(CC(C)C)CC1 CC(C)C[*:1] Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC1(CC1)[*:1]
Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC1(CC(C)C)CC1 CC(C)[*:1] Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC1(CC1)C[*:1]
O=C(Cn1nc(-c2cccs2)ccc1=O)N1CCN(c2cccc[nH+]2)CC1 c1csc(c1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N1CCN(CC1)c1cccc[nH+]1
Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 O=C(N1CCCCC1)[*:1] Cc1cc(cc2-c3ccccc3S(=O)(=O)N(C)c12)C(=O)Nc1ccccc1[*:1]
C[NH+]1CCC(NC(=O)c2ccc(NC(=O)c3ccco3)s2)CC1 c1coc(c1)[*:1] C[NH+]1CCC(CC1)NC(=O)c1ccc(NC(=O)[*:1])s1
C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(o1)[*:1])[C@@H]1CCCO1
C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)c1ccc(o1)-c1ccc(F)cc1)[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)cn1 CNC(=O)[*:1] C[C@H]([NH2+][C@H]1CCCC[C@@H]1[*:1])c1ccc(F)cn1
O=C(C[C@@H](O)c1ccccc1)N1Cc2ccccc2-c2ccccc2C1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N1Cc2ccccc2-c2ccccc2C1
O=C(C[C@@H](O)c1ccccc1)N1Cc2ccccc2-c2ccccc2C1 O[C@@H](c1ccccc1)[*:1] O=C(C[*:1])N1Cc2ccccc2-c2ccccc2C1
C[C@@H]1CN(C[C@H](O)Cc2ccccc2)C(C)(C)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O)C[*:1])C(C)(C)CO1
C=CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 FC(F)(F)[*:1] C=CCNS(=O)(=O)c1ccc(C#N)c(c1)[*:1]
C=CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 C=CC[*:1] N#Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N[*:1]
Cc1ccc(-c2nc(CC(=O)NC[C@@H]3CCCN(c4ncccn4)C3)cs2)o1 c1cnc(nc1)[*:1] Cc1ccc(o1)-c1nc(cs1)CC(=O)NC[C@@H]1CCCN(C1)[*:1]
Cc1ccc(-c2nc(CC(=O)NC[C@@H]3CCCN(c4ncccn4)C3)cs2)o1 Cc1ccc(o1)[*:1] O=C(Cc1csc(n1)[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
CC(C)Oc1ccc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)cn1 CC(C)[*:1] O=C(NCc1ccc(nc1)O[*:1])C(=O)Nc1cc(F)cc(F)c1
CC(C)Oc1ccc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)cn1 Fc1cc(F)cc(c1)[*:1] CC(C)Oc1ccc(cn1)CNC(=O)C(=O)N[*:1]
CC(C)Oc1ccc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)cn1 CC(C)O[*:1] O=C(NCc1ccc(nc1)[*:1])C(=O)Nc1cc(F)cc(F)c1
O=C(NC1CC1)c1cccc(NCc2cc(Cl)cs2)c1 C1CC1[*:1] O=C(N[*:1])c1cccc(c1)NCc1cc(Cl)cs1
O=C(NC1CC1)c1cccc(NCc2cc(Cl)cs2)c1 Clc1csc(c1)[*:1] O=C(NC1CC1)c1cccc(c1)NC[*:1]
O=C(NC1CC1)c1cccc(NCc2cc(Cl)cs2)c1 O=C(NC1CC1)[*:1] Clc1csc(c1)CNc1cccc(c1)[*:1]
COc1cc(F)cc(C[NH2+]Cc2csc(Br)c2)c1 Brc1cc(cs1)[*:1] COc1cc(F)cc(c1)C[NH2+]C[*:1]
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)[C@H](O)[*:1]
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H](O)c1ccccc1 FC(F)(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H](O)c1ccccc1
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H](O)c1ccccc1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@H](O)c1ccccc1
CCC(C)(C)NC(=O)CSCc1cccc(C(N)=O)c1 CCC(C)(C)[*:1] NC(=O)c1cccc(c1)CSCC(=O)N[*:1]
CCC(C)(C)NC(=O)CSCc1cccc(C(N)=O)c1 NC(=O)[*:1] CCC(C)(C)NC(=O)CSCc1cccc(c1)[*:1]
CCOC(=O)c1nc2cc(F)c(N3CC[NH+](C)CC3)cc2nc1C CCOC(=O)[*:1] Cc1nc2cc(c(F)cc2nc1[*:1])N1CC[NH+](C)CC1
CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] CC(=O)Nc1ccc(Cl)c(c1)NC(=O)[*:1]
CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccs2)c1 CC(=O)N[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1cccs1
O=C(OC1CCCC1)c1ccc(-n2cncn2)cc1 C1CCC(C1)[*:1] O=C(O[*:1])c1ccc(cc1)-n1cncn1
O=C(OC1CCCC1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] O=C(OC1CCCC1)c1ccc(cc1)[*:1]
CC(C)c1ccc(C(=O)NCCCNC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] CC(C)c1ccc(cc1)C(=O)NCCCNC(=O)[*:1]
CC(C)c1ccc(C(=O)NCCCNC(=O)c2ccncc2)cc1 CC(C)[*:1] O=C(NCCCNC(=O)c1ccc(cc1)[*:1])c1ccncc1
Cc1ccc(NNC(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)nc1 C1CCC(C1)[*:1] Cc1ccc(nc1)NNC(=O)N[C@H]1CCCC[C@@H]1O[*:1]
Cc1ccc(NNC(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)nc1 C1CCC(C1)O[*:1] Cc1ccc(nc1)NNC(=O)N[C@H]1CCCC[C@H]1[*:1]
Cc1ccc(NNC(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)nc1 Cc1ccc(nc1)[*:1] O=C(NN[*:1])N[C@H]1CCCC[C@@H]1OC1CCCC1
Cc1cc(C)n(-c2cccc(NC(=O)c3c[nH]c4nccc(Cl)c34)c2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1cccc(c1)[*:1])c1c[nH]c2nccc(Cl)c12
Cc1ccc(O[C@@H](C)C(=O)NCCCN2CCOCC2)cc1C C1CN(CCO1)[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)NCCC[*:1]
Cc1ccc(O[C@@H](C)C(=O)NCCCN2CCOCC2)cc1C C1CN(CCO1)C[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)NCC[*:1]
C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1 C#CCO[*:1] C[C@H]([NH2+]Cc1ccccc1[*:1])c1ccccc1
C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1 C#CC[*:1] C[C@H]([NH2+]Cc1ccccc1O[*:1])c1ccccc1
C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C#CCOc1ccccc1C[NH2+][C@@H](C)[*:1]
COC(=O)Cn1/c(=N\C(=O)Cc2ccc(F)cc2)sc2c(OC)ccc(OC)c21 Fc1ccc(cc1)C[*:1] COC(=O)Cn1/c(=N\C(=O)[*:1])sc2c(ccc(OC)c21)OC
COC(=O)Cn1/c(=N\C(=O)Cc2ccc(F)cc2)sc2c(OC)ccc(OC)c21 Fc1ccc(cc1)[*:1] COC(=O)Cn1/c(=N\C(=O)C[*:1])sc2c(ccc(OC)c21)OC
COC(=O)Cn1/c(=N\C(=O)Cc2ccc(F)cc2)sc2c(OC)ccc(OC)c21 COC(=O)C[*:1] COc1ccc(OC)c2c1s/c(=N/C(=O)Cc1ccc(F)cc1)n2[*:1]
COC(=O)Cn1/c(=N\C(=O)Cc2ccc(F)cc2)sc2c(OC)ccc(OC)c21 COC(=O)[*:1] COc1ccc(OC)c2c1s/c(=N/C(=O)Cc1ccc(F)cc1)n2C[*:1]
CCOCCCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)NC1=S CCOCC[*:1] O=C1/C(=C\c2c(Cl)cccc2Cl)NC(=S)N1C[*:1]
CCOCCCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)NC1=S CCOCCC[*:1] O=C1/C(=C\c2c(Cl)cccc2Cl)NC(=S)N1[*:1]
CCOCCCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)NC1=S CCOC[*:1] O=C1/C(=C\c2c(Cl)cccc2Cl)NC(=S)N1CC[*:1]
CCOCCCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)NC1=S CCO[*:1] O=C1/C(=C\c2c(Cl)cccc2Cl)NC(=S)N1CCC[*:1]
CC(C)(C)C(=O)NNC(=O)CSc1nnc(C(C)(C)C)n1-c1ccccc1 CC(C)(C)[*:1] CC(C)(C)C(=O)NNC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
CC(C)(C)C(=O)NNC(=O)CSc1nnc(C(C)(C)C)n1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)NNC(=O)CSc1nnc(n1[*:1])C(C)(C)C
CC(C)(C)C(=O)NNC(=O)CSc1nnc(C(C)(C)C)n1-c1ccccc1 CC(C)(C)[*:1] CC(C)(C)c1nnc(SCC(=O)NNC(=O)[*:1])n1-c1ccccc1
COC(=O)C1(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CCSCC1 Clc1ccc(cc1)[*:1] COC(=O)C1(CCSCC1)NC(=O)[C@H]1C[C@H]1[*:1]
COC(=O)C1(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CCSCC1 COC(=O)[*:1] O=C(NC1(CCSCC1)[*:1])[C@H]1C[C@@H]1c1ccc(Cl)cc1
Cc1cc(C)n(-c2ccc(C(=O)NCc3nnc4n3CCCC4)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCc1nnc2CCCCn21)c1ccc(cc1)[*:1]
CCNC(=O)CNC(=O)/C=C/c1ccco1 CCNC(=O)[*:1] O=C(/C=C/c1ccco1)NC[*:1]
CCNC(=O)CNC(=O)/C=C/c1ccco1 c1coc(c1)[*:1] CCNC(=O)CNC(=O)C=C[*:1]
Oc1ccccc1/C=N/c1ccc(/N=C/c2ccccc2O)cc1 Oc1ccccc1[*:1] Oc1ccccc1/C=N/c1ccc(cc1)N=C[*:1]
Oc1ccc(C2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cc1 c1ccc(cc1)[*:1] Oc1ccc(cc1)C1CC[NH+](CC1)Cc1cnn(c1)[*:1]
Oc1ccc(C2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cc1 Oc1ccc(cc1)[*:1] c1ccc(cc1)-n1cc(cn1)C[NH+]1CCC(CC1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@]2(CC1)C[C@H]2C[NH3+] CC(C)(C)[*:1] [NH3+]C[C@@H]1C[C@@]12CCCN(CC2)C(=O)O[*:1]
O=C(NCc1nnnn1-c1ccccc1)c1cc(=O)c2ccccc2o1 c1ccc(cc1)[*:1] O=C(NCc1nnnn1[*:1])c1cc(=O)c2ccccc2o1
CC[NH+](CC)[C@H](C)CNc1nc(-c2ccncc2)nc2c1CCC2 c1cc(ccn1)[*:1] CC[NH+](CC)[C@H](C)CNc1nc(nc2CCCc21)[*:1]
COC(=O)CN(Cc1ccc(F)c(F)c1)C1CCN(C(N)=O)CC1 Fc1ccc(cc1F)[*:1] COC(=O)CN(C[*:1])C1CCN(CC1)C(N)=O
COC(=O)CN(Cc1ccc(F)c(F)c1)C1CCN(C(N)=O)CC1 COC(=O)C[*:1] NC(=O)N1CCC(CC1)N(Cc1ccc(F)c(F)c1)[*:1]
COC(=O)CN(Cc1ccc(F)c(F)c1)C1CCN(C(N)=O)CC1 COC(=O)[*:1] NC(=O)N1CCC(CC1)N(Cc1ccc(F)c(F)c1)C[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2cnc(Cl)nc2Cl)C1 Clc1ncc(c(Cl)n1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](CCOC[*:1])C1
CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2cnc(Cl)nc2Cl)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](CCOCc2cnc(Cl)nc2Cl)C1
CCOc1nc(N)n(-c2cccc(F)c2)n1 CCO[*:1] Nc1nc(nn1-c1cccc(F)c1)[*:1]
C[C@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)c2ccccc21 NS(=O)(=O)[*:1] C[C@H]1CN(CC(=O)Nc2cccc(c2)[*:1])c2ccccc21
CC(C)[NH2+]Cc1sc(N2CCCCC2)nc1C(C)C C1CCN(CC1)[*:1] CC(C)[NH2+]Cc1sc(nc1C(C)C)[*:1]
CC(C)[NH2+]Cc1sc(N2CCCCC2)nc1C(C)C CC(C)[*:1] CC(C)c1nc(sc1C[NH2+][*:1])N1CCCCC1
CC(C)[NH2+]Cc1sc(N2CCCCC2)nc1C(C)C CC(C)[*:1] CC(C)[NH2+]Cc1sc(nc1[*:1])N1CCCCC1
O=C(NC[C@H]1C[C@]12CCc1ccccc12)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] O=C(NC[C@H]1C[C@]12CCc1ccccc12)c1ccc(cc1F)[*:1]
O=C(COC(=O)c1cc(F)cc(F)c1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(COC(=O)c1cc(F)cc(F)c1)NC[*:1]
O=C(COC(=O)c1cc(F)cc(F)c1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(COC(=O)c1cc(F)cc(F)c1)N[*:1]
Nc1ccc(C(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])O2)cc1Cl O=C([O-])[*:1] Nc1ccc(cc1Cl)C(=O)NC[C@@H]1CC[C@@H](O1)[*:1]
CNC(=O)c1ccc(CN(C)C(=O)c2cc3c(s2)-c2ccccc2CC3)cc1 CNC(=O)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1cc2CCc3ccccc3-c2s1
COc1nc(C(F)(F)F)ccc1C(=O)[O-] O=C([O-])[*:1] COc1nc(ccc1[*:1])C(F)(F)F
COc1nc(C(F)(F)F)ccc1C(=O)[O-] FC(F)(F)[*:1] COc1nc(ccc1C(=O)[O-])[*:1]
CCOC(=O)N1CCN(C2=NC(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)N2)CC1 COC(=O)[*:1] CCOC(=O)N1CCN(CC1)C1=NC(=O)[C@@H]([C@H](N1)c1ccccc1)[*:1]
CCOC(=O)N1CCN(C2=NC(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)N2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C1=NC(=O)[C@@H](C(=O)OC)[C@@H](N1)[*:1]
COC[C@@H]([NH2+][C@@H]1CC[C@H]([NH3+])C1)C(C)C CC(C)[*:1] COC[C@@H]([NH2+][C@@H]1CC[C@H]([NH3+])C1)[*:1]
COC[C@@H]([NH2+][C@@H]1CC[C@H]([NH3+])C1)C(C)C COC[*:1] CC(C)[C@H]([NH2+][C@@H]1CC[C@H]([NH3+])C1)[*:1]
Cc1ccc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)[*:1]
Cc1ccc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)C(=O)NC[C@@H](c1c[nH]c2ccccc12)[*:1]
Cc1cc([C@H]2CCCN([C@H](C(=O)NC(C)C)c3ccccc3)C2)n[nH]1 c1ccc(cc1)[*:1] Cc1cc(n[nH]1)[C@H]1CCCN(C1)[C@H](C(=O)NC(C)C)[*:1]
Cc1cc([C@H]2CCCN([C@H](C(=O)NC(C)C)c3ccccc3)C2)n[nH]1 Cc1cc(n[nH]1)[*:1] CC(C)NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](C1)[*:1]
Cc1cc([C@H]2CCCN([C@H](C(=O)NC(C)C)c3ccccc3)C2)n[nH]1 CC(C)NC(=O)[*:1] Cc1cc(n[nH]1)[C@H]1CCCN(C1)[C@H](c1ccccc1)[*:1]
Cc1cc([C@H]2CCCN([C@H](C(=O)NC(C)C)c3ccccc3)C2)n[nH]1 CC(C)[*:1] Cc1cc(n[nH]1)[C@H]1CCCN(C1)[C@H](C(=O)N[*:1])c1ccccc1
CCOCCCC(=O)N[C@@H](C)CO CCOC[*:1] C[C@@H](CO)NC(=O)CC[*:1]
CCOCCCC(=O)N[C@@H](C)CO C[C@@H](CO)[*:1] CCOCCCC(=O)N[*:1]
CCOCCCC(=O)N[C@@H](C)CO CCO[*:1] C[C@@H](CO)NC(=O)CCC[*:1]
O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCC[C@@](CC2CC2)(C(=O)[O-])C1 C1CC1[*:1] O=C(c1cc(n[nH]1)-c1ccccc1O)N1CCC[C@@](C1)(C[*:1])C(=O)[O-]
O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCC[C@@](CC2CC2)(C(=O)[O-])C1 O=C([O-])[*:1] O=C(c1cc(n[nH]1)-c1ccccc1O)N1CCC[C@@](CC2CC2)(C1)[*:1]
O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCC[C@@](CC2CC2)(C(=O)[O-])C1 Oc1ccccc1[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCC[C@](CC2CC2)(C1)C(=O)[O-]
O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCC[C@@](CC2CC2)(C(=O)[O-])C1 C1CC1C[*:1] O=C(c1cc(n[nH]1)-c1ccccc1O)N1CCC[C@](C1)(C(=O)[O-])[*:1]
CN(CC#N)[C@@H]1CCCN(Cc2ccccc2)C1=O CN(CC#N)[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)[*:1]
CN(CC#N)[C@@H]1CCCN(Cc2ccccc2)C1=O N#CC[*:1] CN([C@@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
CN(CC#N)[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CN(CC#N)[C@@H]1CCCN(C[*:1])C1=O
C[C@H]1CN(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CCO1 Fc1ccc(cc1)[*:1] C[C@H]1CN(CCO1)C(=O)NC[C@@H](N1CCOCC1)[*:1]
C[C@H]1CN(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CCO1 C1CN(CCO1)[*:1] C[C@H]1CN(CCO1)C(=O)NC[C@@H](c1ccc(F)cc1)[*:1]
Cn1ccc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cc1=O Cn1ccc(cc1=O)[*:1] O=C(NC1CC1)c1c(NC(=O)[*:1])sc2CCCc21
Cn1ccc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cc1=O C1CC1[*:1] Cn1ccc(cc1=O)C(=O)Nc1sc2CCCc2c1C(=O)N[*:1]
Cn1ccc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cc1=O O=C(NC1CC1)[*:1] Cn1ccc(cc1=O)C(=O)Nc1sc2CCCc2c1[*:1]
Cc1ncsc1C(=O)NCCNC(=O)c1cccnc1 c1cncc(c1)[*:1] Cc1ncsc1C(=O)NCCNC(=O)[*:1]
Cc1ncsc1C(=O)NCCNC(=O)c1cccnc1 Cc1ncsc1[*:1] O=C(NCCNC(=O)[*:1])c1cccnc1
CC[C@@H](Nc1ncnc2sc(C)cc12)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H](Nc1ncnc2sc(C)cc12)[*:1]
CCn1c(SCc2ncoc2C(C)C)nnc1-c1ccc(C)cc1 CC(C)[*:1] CCn1c(nnc1-c1ccc(C)cc1)SCc1ncoc1[*:1]
CCn1c(SCc2ncoc2C(C)C)nnc1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCc1ncoc1C(C)C
COC(=O)/C=C/N(C)C[C@H]1C[C@H]1C C[C@@H]1C[C@@H]1[*:1] COC(=O)/C=C/N(C)C[*:1]
COC(=O)/C=C/N(C)C[C@H]1C[C@H]1C COC(=O)[*:1] C[C@@H]1C[C@@H]1CN(C)C=C[*:1]
CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CN2C)c1ccco1 c1coc(c1)[*:1] CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CN2C)[*:1]
CCOc1ccc(OCC)c(NC(=O)Cc2csc(C)n2)c1 Cc1nc(cs1)C[*:1] CCOc1ccc(OCC)c(c1)NC(=O)[*:1]
CCOc1ccc(OCC)c(NC(=O)Cc2csc(C)n2)c1 CCO[*:1] CCOc1ccc(cc1NC(=O)Cc1csc(C)n1)[*:1]
CCOc1ccc(OCC)c(NC(=O)Cc2csc(C)n2)c1 CCO[*:1] CCOc1ccc(c(c1)NC(=O)Cc1csc(C)n1)[*:1]
CCOc1ccc(OCC)c(NC(=O)Cc2csc(C)n2)c1 Cc1nc(cs1)[*:1] CCOc1ccc(OCC)c(c1)NC(=O)C[*:1]
O=C(Nc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(Nc1nc2cc(ccc2s1)[N+](=O)[O-])c1ccc(s1)[*:1]
O=C(Nc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(Nc1nc2cc(ccc2s1)[*:1])c1ccc(s1)[N+](=O)[O-]
CC[C@H](Cc1cccnc1OC)[C@@H](C)O C[C@@H](O)[*:1] CC[C@H](Cc1cccnc1OC)[*:1]
C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc(C#N)cs1)C1CC1 C1CC1[*:1] C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc(C#N)cs1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc(C#N)cs1)C1CC1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C(=O)c1cc(C#N)cs1)C1CC1
C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc(C#N)cs1)C1CC1 CS(=O)(=O)C[*:1] C[C@@H](N(C(=O)c1cc(C#N)cs1)C1CC1)[*:1]
C=CCN(Cc1cccc(C#N)c1)CN1C(=O)c2ccccc2C1=O N#Cc1cccc(c1)[*:1] C=CCN(CN1C(=O)c2ccccc2C1=O)C[*:1]
C=CCN(Cc1cccc(C#N)c1)CN1C(=O)c2ccccc2C1=O C=CC[*:1] N#Cc1cccc(c1)CN(CN1C(=O)c2ccccc2C1=O)[*:1]
Cc1cccc(OC[C@H](C)NC(=O)NCc2cn3c([nH+]2)CCCC3)c1 Cc1cccc(c1)[*:1] C[C@@H](CO[*:1])NC(=O)NCc1cn2CCCCc2[nH+]1
Cc1cccc(OC[C@H](C)NC(=O)NCc2cn3c([nH+]2)CCCC3)c1 Cc1cccc(c1)O[*:1] C[C@@H](C[*:1])NC(=O)NCc1cn2CCCCc2[nH+]1
CC[NH2+][C@H]1[C@@H]([S@@](=O)C(C)C)CCC1(C)C CC(C)[*:1] CC[NH2+][C@H]1[C@H](CCC1(C)C)[S@@](=O)[*:1]
CC[NH2+][C@H]1[C@@H]([S@@](=O)C(C)C)CCC1(C)C CC(C)[S@](=O)[*:1] CC[NH2+][C@H]1[C@@H](CCC1(C)C)[*:1]
CCC[NH2+][C@H]1[C@@H](S(=O)(=O)[C@@H](C)CC)CCC1(C)C CCC[*:1] CC[C@H](C)S(=O)(=O)[C@H]1CCC(C)(C)[C@H]1[NH2+][*:1]
CCC[NH2+][C@H]1[C@@H](S(=O)(=O)[C@@H](C)CC)CCC1(C)C CC[C@H](C)[*:1] CCC[NH2+][C@H]1[C@H](CCC1(C)C)S(=O)(=O)[*:1]
COc1ccc(-n2ccnc2-c2nccn2[C@@H](C)c2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-n1ccnc1-c1nccn1[C@@H](C)[*:1]
COc1ccc(-n2ccnc2-c2nccn2[C@@H](C)c2ccco2)cc1 COc1ccc(cc1)[*:1] C[C@@H](c1ccco1)n1ccnc1-c1nccn1[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCSc1ccc(Cl)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)CCSc1ccc(Cl)cc1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCSc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] Cc1ccc(cc1NC(=O)CC[*:1])S(=O)(=O)N(C)C
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCSc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)CCS[*:1])S(=O)(=O)N(C)C
CCOC(=O)C[C@H](C)CNC(=O)c1cc(C#N)cs1 CCOC(=O)[*:1] C[C@H](CNC(=O)c1cc(C#N)cs1)C[*:1]
CCOC(=O)C[C@H](C)CNC(=O)c1cc(C#N)cs1 CCOC(=O)C[*:1] C[C@H](CNC(=O)c1cc(C#N)cs1)[*:1]
CNc1nc(C(=O)N2CCN(c3ccccc3OC)C[C@H]2C)cs1 COc1ccccc1[*:1] CNc1nc(cs1)C(=O)N1CCN(C[C@H]1C)[*:1]
CNc1nc(C(=O)N2CCN(c3ccccc3OC)C[C@H]2C)cs1 CNc1nc(cs1)[*:1] COc1ccccc1N1CCN(C(=O)[*:1])[C@H](C)C1
CCCCNC(=O)NC[C@H](OC)c1ccc(F)cc1 CCC[*:1] CO[C@@H](CNC(=O)NC[*:1])c1ccc(F)cc1
CCCCNC(=O)NC[C@H](OC)c1ccc(F)cc1 CCCC[*:1] CO[C@@H](CNC(=O)N[*:1])c1ccc(F)cc1
COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cn1 O=[N+]([O-])[*:1] COc1ccc(cn1)N[C@@H](C)C(=O)Nc1ccc(C)c(c1)[*:1]
COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cn1 COc1ccc(cn1)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)[C@H](C)N[*:1]
CC(C)[C@]1([C@@H]2CCOC3(CCC3)C2)CCC[NH2+]1 CC(C)[*:1] C1CC2(C1)C[C@@H](CCO2)[C@@]1(CCC[NH2+]1)[*:1]
O=C(C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] OC(c1ccccc1)(c1ccccc1)C1CC[NH+](CC1)C[*:1]
O=C(C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)C(O)(c1ccccc1)[*:1])Nc1ccc(Cl)cc1
O=C(C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)C(O)(c1ccccc1)c1ccccc1)N[*:1]
Cc1cc(=O)c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C
Cc1cc(=O)c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)nn1-c1ccccc1 Fc1cccc(c1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)NC[C@H]([NH+](C)C)[*:1]
CN(CCC#N)C(=O)Nc1ccc2nc(C3CC3)oc2c1 N#CC[*:1] CN(C[*:1])C(=O)Nc1ccc2nc(oc2c1)C1CC1
CN(CCC#N)C(=O)Nc1ccc2nc(C3CC3)oc2c1 N#CCC[*:1] CN(C(=O)Nc1ccc2nc(oc2c1)C1CC1)[*:1]
CN(CCC#N)C(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] CN(CCC#N)C(=O)Nc1ccc2nc(oc2c1)[*:1]
C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CC(=O)[O-])CC1 O=C([O-])[*:1] C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CC1)C[*:1]
C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CC(=O)[O-])CC1 O=C([O-])C[*:1] C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CC1)[*:1]
C/C(=C/C(=O)NCc1cc[nH]n1)c1ccccc1OC(F)F FC(F)[*:1] C/C(=C/C(=O)NCc1cc[nH]n1)c1ccccc1O[*:1]
C/C(=C/C(=O)NCc1cc[nH]n1)c1ccccc1OC(F)F c1cc(C[*:1])n[nH]1 C/C(=C/C(=O)N[*:1])c1ccccc1OC(F)F
C/C(=C/C(=O)NCc1cc[nH]n1)c1ccccc1OC(F)F FC(F)O[*:1] C/C(=C/C(=O)NCc1cc[nH]n1)c1ccccc1[*:1]
C/C(=C/C(=O)NCc1cc[nH]n1)c1ccccc1OC(F)F c1cc(n[nH]1)[*:1] C/C(=C/C(=O)NC[*:1])c1ccccc1OC(F)F
O=C(CCCc1ccccc1)N1CC(c2nc(-c3cccs3)no2)C1 c1ccc(cc1)CC[*:1] O=C(C[*:1])N1CC(C1)c1nc(no1)-c1cccs1
O=C(CCCc1ccccc1)N1CC(c2nc(-c3cccs3)no2)C1 c1ccc(cc1)[*:1] O=C(CCC[*:1])N1CC(C1)c1nc(no1)-c1cccs1
O=C(CCCc1ccccc1)N1CC(c2nc(-c3cccs3)no2)C1 c1csc(c1)[*:1] O=C(CCCc1ccccc1)N1CC(C1)c1nc(no1)[*:1]
O=C(CCCc1ccccc1)N1CC(c2nc(-c3cccs3)no2)C1 c1ccc(cc1)C[*:1] O=C(CC[*:1])N1CC(C1)c1nc(no1)-c1cccs1
CC[C@@H](NC(=O)c1cccc2cc[nH]c12)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NC(=O)c1cccc2cc[nH]c12)c1nc(cs1)[*:1]
O=C(N/N=C\c1sc(=O)n(-c2ccccc2)c1Cl)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C\c1sc(=O)n(c1Cl)[*:1])c1ccccc1
O=C(N/N=C\c1sc(=O)n(-c2ccccc2)c1Cl)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C\c1sc(=O)n(-c2ccccc2)c1Cl)[*:1]
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)c(O)c1 CC(C)(C)[*:1] O=C(Nc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)c(O)c1)O[*:1]
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)c(O)c1 C1CCC(C1)[*:1] CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]2[*:1])c(O)c1
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)c(O)c1 CC(C)(C)OC(=O)N[*:1] O=C(c1ccc(cc1O)[*:1])N1CCC[C@@H]1C1CCCC1
NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccc(Cl)cc2C1 c1ccc(cc1)C[*:1] NC(=O)N[C@H](C(=O)N1CCc2ccc(Cl)cc2C1)[*:1]
NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccc(Cl)cc2C1 NC(=O)N[*:1] O=C([C@@H](Cc1ccccc1)[*:1])N1CCc2ccc(Cl)cc2C1
NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccc(Cl)cc2C1 c1ccc(cc1)[*:1] NC(=O)N[C@H](C[*:1])C(=O)N1CCc2ccc(Cl)cc2C1
O=C1[C@@H](NCc2cccc(F)c2)CCCN1c1ccccc1F Fc1ccccc1[*:1] O=C1[C@H](CCCN1[*:1])NCc1cccc(F)c1
O=C1[C@@H](NCc2cccc(F)c2)CCCN1c1ccccc1F Fc1cccc(c1)[*:1] O=C1[C@H](CCCN1c1ccccc1F)NC[*:1]
CSCCOC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 CSCC[*:1] O=C(O[*:1])c1ccc(Cl)c(c1)NC(=O)c1cccs1
CSCCOC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 CSCCOC(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1cccs1
CSCCOC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] CSCCOC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
CSCCOC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 CSC[*:1] O=C(OC[*:1])c1ccc(Cl)c(c1)NC(=O)c1cccs1
CC(=O)Nc1cc(NC(=O)N[C@@H]2CCCC[C@H]2CO)ccc1F CC(=O)N[*:1] O=C(Nc1ccc(F)c(c1)[*:1])N[C@@H]1CCCC[C@H]1CO
CCc1nnc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)s1 CCc1nnc(s1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
CC(=O)c1cnn(-c2cc(N3CCN(c4ccccc4)CC3)nc(C)n2)c1C CC(=O)c1cnn(c1C)[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)c1ccccc1
CC(=O)c1cnn(-c2cc(N3CCN(c4ccccc4)CC3)nc(C)n2)c1C c1ccc(cc1)[*:1] CC(=O)c1cnn(-c2cc(nc(C)n2)N2CCN(CC2)[*:1])c1C
CC(=O)c1cnn(-c2cc(N3CCN(c4ccccc4)CC3)nc(C)n2)c1C CC(=O)[*:1] Cc1nc(cc(n1)-n1ncc(c1C)[*:1])N1CCN(CC1)c1ccccc1
COc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H]([C@@H]1C)[*:1]
O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC[C@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(c1cc2COc3ccccc3-c2s1)N1CCC[C@@H]1[*:1]
Cc1ccc(OCCC[C@H]2CCCO2)c(C(=O)[O-])n1 C1CO[C@H](C1)C[*:1] Cc1ccc(OCC[*:1])c(n1)C(=O)[O-]
Cc1ccc(OCCC[C@H]2CCCO2)c(C(=O)[O-])n1 O=C([O-])[*:1] Cc1ccc(OCCC[C@H]2CCCO2)c(n1)[*:1]
Cc1ccc(OCCC[C@H]2CCCO2)c(C(=O)[O-])n1 C1CO[C@H](C1)[*:1] Cc1ccc(OCCC[*:1])c(n1)C(=O)[O-]
Cc1cccc(C(=O)NCc2ccccc2CN2CCCC2=O)c1 Cc1cccc(c1)[*:1] O=C1CCCN1Cc1ccccc1CNC(=O)[*:1]
Cc1cccc(C(=O)NCc2ccccc2CN2CCCC2=O)c1 O=C1CCCN1[*:1] Cc1cccc(c1)C(=O)NCc1ccccc1C[*:1]
Cc1cccc(C(=O)NCc2ccccc2CN2CCCC2=O)c1 O=C1CCCN1C[*:1] Cc1cccc(c1)C(=O)NCc1ccccc1[*:1]
COc1ccc(/C(C)=N/NC(=S)SCN2C(=O)[C@@H]3CC[C@](C)(C2=O)C3(C)C)cc1 COc1ccc(cc1)[*:1] CC(=NNC(=S)SCN1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C)[*:1]
CNC(=O)[C@@H](C)CN(C)Cc1sc(-c2ccccc2)nc1C CNC(=O)[*:1] Cc1nc(sc1CN(C)C[C@H](C)[*:1])-c1ccccc1
CNC(=O)[C@@H](C)CN(C)Cc1sc(-c2ccccc2)nc1C c1ccc(cc1)[*:1] CNC(=O)[C@@H](C)CN(C)Cc1sc(nc1C)[*:1]
N#Cc1c(F)cccc1NCCC(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] N#Cc1c(F)cccc1NCCC(=O)N[*:1]
C[C@H](Cc1ccccc1F)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 Fc1ccccc1C[*:1] C[C@H](C(=O)N1CSC[C@H]1C(=O)N1CCCC1)[*:1]
C[C@H](Cc1ccccc1F)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 Fc1ccccc1[*:1] C[C@H](C[*:1])C(=O)N1CSC[C@H]1C(=O)N1CCCC1
C[C@H](Cc1ccccc1F)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H](Cc1ccccc1F)C(=O)N1CSC[C@@H]1[*:1]
COc1cccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccc(Cl)cc3)C2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)C1C[C@@H](N(N=1)C1=NC(=O)CS1)[*:1]
COc1cccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccc(Cl)cc3)C2)c1 COc1cccc(c1)[*:1] O=C1CSC(=N1)N1N=C(C[C@H]1c1ccc(Cl)cc1)[*:1]
COc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)CNC(=O)c1ccc(c(c1)[*:1])S(=O)(=O)c1cccc(Cl)c1
COc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)c1cccc(Cl)c1
COc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)CNC(=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)[*:1]
COc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 O=S(=O)(c1cccc(Cl)c1)[*:1] COc1ccc(cc1)CNC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
COc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3cccc(Cl)c3)c([N+](=O)[O-])c2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)c1cccc(Cl)c1
CC[C@@H](CC1CCCCC1)C(=O)Nc1cc(C(N)=O)ccc1OC C1CCC(CC1)C[*:1] CC[C@@H](C(=O)Nc1cc(ccc1OC)C(N)=O)[*:1]
CC[C@@H](CC1CCCCC1)C(=O)Nc1cc(C(N)=O)ccc1OC C1CCC(CC1)[*:1] CC[C@@H](C[*:1])C(=O)Nc1cc(ccc1OC)C(N)=O
CC[C@@H](CC1CCCCC1)C(=O)Nc1cc(C(N)=O)ccc1OC NC(=O)[*:1] CC[C@@H](CC1CCCCC1)C(=O)Nc1cc(ccc1OC)[*:1]
C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccccc1[*:1]
C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccccc1[N+](=O)[O-] CC(C)(C)[*:1] C[C@@H]([NH2+][C@H](CO)C[*:1])c1ccccc1[N+](=O)[O-]
C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccccc1[N+](=O)[O-] CC(C)(C)C[*:1] C[C@@H]([NH2+][C@H](CO)[*:1])c1ccccc1[N+](=O)[O-]
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NCCn1cc[nH+]c1 C[C@H]1CCCCN1C(=O)[*:1] Cc1cc(ccc1NC(=O)NCCn1cc[nH+]c1)[*:1]
COc1cccc(N2CC[C@H](CNC(=O)N[C@H](c3ccccc3)C(C)C)C2)c1 COc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)NC[C@H]1CCN(C1)[*:1])c1ccccc1
COc1cccc(N2CC[C@H](CNC(=O)N[C@H](c3ccccc3)C(C)C)C2)c1 CC(C)[*:1] COc1cccc(c1)N1CC[C@H](CNC(=O)N[C@H](c2ccccc2)[*:1])C1
COc1cccc(N2CC[C@H](CNC(=O)N[C@H](c3ccccc3)C(C)C)C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1CC[C@H](CNC(=O)N[C@H](C(C)C)[*:1])C1
C[C@H](CCCO)NC(=O)Cn1nc2ccccn2c1=O C[C@H](CCCO)[*:1] O=C(Cn1nc2ccccn2c1=O)N[*:1]
C[C@H](CCCO)NC(=O)Cn1nc2ccccn2c1=O OCC[*:1] C[C@H](C[*:1])NC(=O)Cn1nc2ccccn2c1=O
C[C@H](CCCO)NC(=O)Cn1nc2ccccn2c1=O OCCC[*:1] C[C@H](NC(=O)Cn1nc2ccccn2c1=O)[*:1]
C[C@@H](c1c(F)cccc1F)S(=O)(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](c1c(F)cccc1F)S(=O)(=O)C[*:1]
O=C(Nc1ccc(-c2nnco2)cc1)c1cc(-c2ccccc2F)on1 Fc1ccccc1[*:1] O=C(Nc1ccc(cc1)-c1nnco1)c1cc(on1)[*:1]
O=C(Nc1ccc(-c2nnco2)cc1)c1cc(-c2ccccc2F)on1 c1nnc(o1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(on1)-c1ccccc1F
CC(C)(C)S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCCCC1=O CC(C)(C)[*:1] O=C1CCCC[C@H]1[C@H]1CCCCN1S(=O)(=O)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cnc3ccc(F)cc3c2)C1 COC(=O)C(C)(C)[*:1] O=C(c1cnc2ccc(F)cc2c1)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cnc3ccc(F)cc3c2)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)C(=O)c1cnc2ccc(F)cc2c1)[*:1]
C[C@H]1CC[C@@](CCOCCO)(C(=O)[O-])C1 OCC[*:1] C[C@H]1CC[C@](CCO[*:1])(C1)C(=O)[O-]
C[C@H]1CC[C@@](CCOCCO)(C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CC[C@@](CCOCCO)(C1)[*:1]
C[C@H]1CC[C@@](CCOCCO)(C(=O)[O-])C1 OCCO[*:1] C[C@H]1CC[C@](CC[*:1])(C1)C(=O)[O-]
C[C@H]1CC[C@@](CCOCCO)(C(=O)[O-])C1 OCCOC[*:1] C[C@H]1CC[C@@](C1)(C[*:1])C(=O)[O-]
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 FC(F)O[*:1] CNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(C)Cc1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 CNS(=O)(=O)[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)c1cc(ccc1Cl)[*:1]
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 FC(F)[*:1] CNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(C)Cc1ccc(cc1)O[*:1]
CC[C@@H](C#N)NC(=O)[C@@H](C)Sc1ccc(OC)cc1 CC[C@@H](C#N)[*:1] COc1ccc(cc1)S[C@H](C)C(=O)N[*:1]
CCN(CC)c1ccc2cc(C(=O)Nc3ccc(NC(C)=O)cc3)c(=O)oc2c1 CCN(CC)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1cc2ccc(cc2oc1=O)[*:1]
CCN(CC)c1ccc2cc(C(=O)Nc3ccc(NC(C)=O)cc3)c(=O)oc2c1 CC(=O)N[*:1] CCN(CC)c1ccc2cc(C(=O)Nc3ccc(cc3)[*:1])c(=O)oc2c1
Cc1ccc([N+](=O)[O-])c(NCCOC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1ccc(c(c1)NCCO[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NCCOC[C@H]2CCCO2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)NCCOC[C@H]1CCCO1)[*:1]
Cc1ccc([N+](=O)[O-])c(NCCOC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1ccc(c(c1)NCCOC[*:1])[N+](=O)[O-]
CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C(=O)N(C)C)cc1 CCC[*:1] C[C@@H]1CCCN(C(=O)c2ccc(cc2)C(=O)N(C)C)[C@@H]1[*:1]
CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(cc1)[*:1]
Cc1cccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)n1 Cc1cccc(n1)[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)[*:1]
Cc1ccc(CCC2CCN(C(=O)CSc3nc4ncccn4n3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nc2ncccn2n1)N1CCC(CC1)CC[*:1]
Cc1ccc(CCC2CCN(C(=O)CSc3nc4ncccn4n3)CC2)cc1 Cc1ccc(cc1)CC[*:1] O=C(CSc1nc2ncccn2n1)N1CCC(CC1)[*:1]
Cc1ccc(CCC2CCN(C(=O)CSc3nc4ncccn4n3)CC2)cc1 c1cnc2nc(nn2c1)[*:1] Cc1ccc(cc1)CCC1CCN(CC1)C(=O)CS[*:1]
Cc1ccc(CCC2CCN(C(=O)CSc3nc4ncccn4n3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(CSc1nc2ncccn2n1)N1CCC(CC1)C[*:1]
CC(C)=CCC[C@H](C)[NH2+]Cc1ccco1 CC(C)=C[*:1] C[C@@H](CC[*:1])[NH2+]Cc1ccco1
CC(C)=CCC[C@H](C)[NH2+]Cc1ccco1 CC(C)=CC[*:1] C[C@@H](C[*:1])[NH2+]Cc1ccco1
CC(C)=CCC[C@H](C)[NH2+]Cc1ccco1 c1coc(c1)[*:1] CC(C)=CCC[C@H](C)[NH2+]C[*:1]
O=C1NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)N1 Fc1ccccc1[*:1] O=C1NC(=O)/C(=C/c2cc(Br)ccc2OC[*:1])N1
O=C1NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)N1 O=C1NC(=O)C(=C[*:1])N1 Fc1ccccc1COc1ccc(Br)cc1[*:1]
O=C1NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)N1 Fc1ccccc1C[*:1] O=C1NC(=O)/C(=C/c2cc(Br)ccc2O[*:1])N1
CC[NH+](CC)[C@H]1CCN(C(=O)Nc2nc(C(C)C)nn2C)C1 CC(C)[*:1] CC[NH+](CC)[C@H]1CCN(C1)C(=O)Nc1nc(nn1C)[*:1]
CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)[C@@H]2CCCO2)c1 O=[N+]([O-])[*:1] CSc1ccc(c(c1)C(=O)O[C@@H](C)[C@@H]1CCCO1)[*:1]
CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CSc1ccc(c(c1)C(=O)O[C@@H](C)[*:1])[N+](=O)[O-]
COC[C@H](NC(=O)NC[C@@]1(C)CCCC[C@@H]1O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)NC[C@@]1(C)CCCC[C@@H]1O)[*:1]
COC[C@H](NC(=O)NC[C@@]1(C)CCCC[C@@H]1O)c1ccc(F)c(F)c1 COC[*:1] C[C@@]1(CCCC[C@@H]1O)CNC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
CCS[C@H]1CCCC[C@H]1NC(=O)c1cn(C)nc1CC CCS[*:1] CCc1nn(C)cc1C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
O=C(NCc1ccccc1CN1CCOCC1)c1cccnc1SC(F)F FC(F)[*:1] O=C(NCc1ccccc1CN1CCOCC1)c1cccnc1S[*:1]
O=C(NCc1ccccc1CN1CCOCC1)c1cccnc1SC(F)F C1CN(CCO1)[*:1] O=C(NCc1ccccc1C[*:1])c1cccnc1SC(F)F
O=C(NCc1ccccc1CN1CCOCC1)c1cccnc1SC(F)F FC(F)S[*:1] O=C(NCc1ccccc1CN1CCOCC1)c1cccnc1[*:1]
O=C(NCc1ccccc1CN1CCOCC1)c1cccnc1SC(F)F C1CN(CCO1)C[*:1] O=C(NCc1ccccc1[*:1])c1cccnc1SC(F)F
COc1ccc(OC)c([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 COc1ccc(OC)c(c1)[*:1] Cc1ccc2oc3C(=O)N(CCC[NH+](C)C)[C@@H](c3c(=O)c2c1)[*:1]
Cc1ccc([C@H](C[NH3+])SC2COC2)cc1 C1OCC1S[*:1] Cc1ccc(cc1)[C@H](C[NH3+])[*:1]
Cc1ccc([C@H](C[NH3+])SC2COC2)cc1 C1OCC1[*:1] Cc1ccc(cc1)[C@H](C[NH3+])S[*:1]
C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc(Oc3ccccc3)cc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)c2ccc(cc2)O[*:1])C1=O)c1cc2ccccc2o1
C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc(Oc3ccccc3)cc2)C1=O c1ccc2oc(cc2c1)[*:1] C[C@]1(NC(=O)N(CC(=O)c2ccc(cc2)Oc2ccccc2)C1=O)[*:1]
C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc(Oc3ccccc3)cc2)C1=O c1ccc(cc1)O[*:1] C[C@]1(NC(=O)N(CC(=O)c2ccc(cc2)[*:1])C1=O)c1cc2ccccc2o1
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CN1CCN(CCO)CC1 OCC[*:1] CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CN1CCN(CC1)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CN1CCN(CCO)CC1 CC(C)[*:1] C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)CN1CCN(CCO)CC1)[*:1]
COc1ccc(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)c1cccc2CN(C(=O)c21)[*:1]
COc1ccc(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)N1Cc2cccc(C(=O)N[*:1])c2C1=O
CCN(CC)C(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C CCN(CC)C(=O)[*:1] Cc1nc(SC[*:1])c2c(=O)n(C)c(=O)n(CC(C)C)c2n1
CCN(CC)C(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C CCN(CC)C(=O)CS[*:1] Cc1nc(c2c(=O)n(C)c(=O)n(CC(C)C)c2n1)[*:1]
CCN(CC)C(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C CCN(CC)C(=O)C[*:1] Cc1nc(S[*:1])c2c(=O)n(C)c(=O)n(CC(C)C)c2n1
CCN(CC)C(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C CC(C)C[*:1] CCN(CC)C(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2[*:1]
CCN(CC)C(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C CC(C)[*:1] CCN(CC)C(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2C[*:1]
CC(=O)Nc1cc2nc3c(nc2cc1C)c(=O)n(C)c(=O)n3C CC(=O)N[*:1] Cc1cc2nc3c(=O)n(C)c(=O)n(C)c3nc2cc1[*:1]
C[C@@H]1CCCN(C(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(CC1)C(=O)NC[C@H]1CCN(C1)[*:1]
CCOc1ccc2c(c1)C=C(C(=O)NC[C@@H](C)N1CCOCC1)CO2 CCO[*:1] C[C@H](CNC(=O)C1=Cc2cc(ccc2OC1)[*:1])N1CCOCC1
CCOc1ccc2c(c1)C=C(C(=O)NC[C@@H](C)N1CCOCC1)CO2 C1CN(CCO1)[*:1] CCOc1ccc2OCC(=Cc2c1)C(=O)NC[C@@H](C)[*:1]
CCOc1ccc2c(c1)C=C(C(=O)NC[C@@H](C)N1CCOCC1)CO2 C[C@@H](N1CCOCC1)[*:1] CCOc1ccc2OCC(=Cc2c1)C(=O)NC[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)n(n1)[*:1]
C[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)C(C)(C)C)CC3)cc2N1 FC(F)(F)[*:1] C[C@@H]1C[C@H](n2nc(cc2N1)C1CCN(CC1)C(=O)C(C)(C)C)[*:1]
C[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)C(C)(C)C)CC3)cc2N1 CC(C)(C)[*:1] C[C@@H]1C[C@@H](n2nc(cc2N1)C1CCN(CC1)C(=O)[*:1])C(F)(F)F
CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2ccccc2F)c1C Fc1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc(C(=O)Nc2ccccc2F)c1C
CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2ccccc2F)c1C O=C(Nc1ccccc1F)[*:1] CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(c1C)[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2ccccc2F)c1C O=C(N[*:1])c1ccc(F)cc1 CCOC(=O)c1c(sc(C(=O)Nc2ccccc2F)c1C)[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2ccccc2F)c1C Fc1ccccc1[*:1] CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)N[*:1])c1C
CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2ccccc2F)c1C CCOC(=O)[*:1] Cc1c(sc(NC(=O)c2ccc(F)cc2)c1[*:1])C(=O)Nc1ccccc1F
CCc1[nH]ncc1C(=O)N(CC)CC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1[nH]ncc1C(=O)N(CC)CC(=O)NC[*:1]
CCc1[nH]ncc1C(=O)N(CC)CC(=O)NCc1ccc(F)cc1 CCc1[nH]ncc1[*:1] CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[*:1]
CCc1[nH]ncc1C(=O)N(CC)CC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCc1[nH]ncc1C(=O)N(CC)CC(=O)N[*:1]
C[C@@H](C1CC1)N(C)C(=O)Cn1cnnn1 c1nnnn1[*:1] C[C@@H](C1CC1)N(C)C(=O)C[*:1]
C[C@@H](C1CC1)N(C)C(=O)Cn1cnnn1 C1CC1[*:1] C[C@@H](N(C)C(=O)Cn1cnnn1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)Cn1cnnn1 C[C@@H](C1CC1)[*:1] CN(C(=O)Cn1cnnn1)[*:1]
CCN1CCN(C(=O)c2cccc(OC)c2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O c1cncc(c1)[*:1] CCN1CCN(C[C@@H](Cc2cccc(c2)[*:1])C1=O)C(=O)c1cccc(c1)OC
CCN1CCN(C(=O)c2cccc(OC)c2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O COc1cccc(c1)[*:1] CCN1CCN(C[C@@H](Cc2cccc(c2)-c2cccnc2)C1=O)C(=O)[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c(c1)[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c([N+](=O)[O-])c1 Fc1ccccc1[*:1] Cc1ccc(NC(=O)CSc2nnc(n2C)[*:1])c(c1)[N+](=O)[O-]
CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cnc(C)cn2)cc1 Cc1cnc(cn1)[*:1] CC[C@@H](C)c1ccc(cc1)NC(=O)COC(=O)[*:1]
CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cnc(C)cn2)cc1 CC[C@@H](C)[*:1] Cc1cnc(cn1)C(=O)OCC(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)C2=CN(C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)N=C23)cc1 CC(C)[*:1] CN1C=C(C(=O)Nc2ccc(cc2)[*:1])C2=NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21
CC(C)c1ccc(NC(=O)C2=CN(C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)N=C23)cc1 c1ccc(cc1)C[*:1] CC(C)c1ccc(cc1)NC(=O)C1=CN(C)[C@H]2C(=O)N(C(=O)N=C12)[*:1]
CC(C)c1ccc(NC(=O)C2=CN(C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)N=C23)cc1 CC(C)c1ccc(cc1)[*:1] CN1C=C(C(=O)N[*:1])C2=NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21
CC(C)c1ccc(NC(=O)C2=CN(C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)N=C23)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)C1=CN(C)[C@H]2C(=O)N(C[*:1])C(=O)N=C12
N/C(NC1CCCC1)=[NH+]\Cc1ccc(Cn2cncn2)cc1 C1CCC(C1)[*:1] N/C(N[*:1])=[NH+]\Cc1ccc(cc1)Cn1cncn1
N/C(NC1CCCC1)=[NH+]\Cc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 N/C(NC1CCCC1)=[NH+]\Cc1ccc(cc1)[*:1]
N/C(NC1CCCC1)=[NH+]\Cc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] N/C(NC1CCCC1)=[NH+]\Cc1ccc(cc1)C[*:1]
COc1cccc(Cn2c(SCC(=O)N(C)C3CCCCC3)nc3ccsc3c2=O)c1 COc1cccc(c1)C[*:1] CN(C(=O)CSc1nc2ccsc2c(=O)n1[*:1])C1CCCCC1
COc1cccc(Cn2c(SCC(=O)N(C)C3CCCCC3)nc3ccsc3c2=O)c1 COc1cccc(c1)[*:1] CN(C(=O)CSc1nc2ccsc2c(=O)n1C[*:1])C1CCCCC1
COc1cccc(Cn2c(SCC(=O)N(C)C3CCCCC3)nc3ccsc3c2=O)c1 C1CCC(CC1)[*:1] COc1cccc(c1)Cn1c(nc2ccsc2c1=O)SCC(=O)N(C)[*:1]
COc1cccc(Cn2c(SCC(=O)N(C)C3CCCCC3)nc3ccsc3c2=O)c1 CN(C(=O)[*:1])C1CCCCC1 COc1cccc(c1)Cn1c(nc2ccsc2c1=O)SC[*:1]
O=[N+]([O-])c1ccc2sc(/C=C/c3ccc(O)c(Br)c3)nc2c1 O=[N+]([O-])[*:1] Oc1ccc(/C=C/c2nc3cc(ccc3s2)[*:1])cc1Br
CCC(C)(C)c1ccc(S(=O)(=O)NCC[S@@](C)=O)cc1 CCC(C)(C)[*:1] C[S@@](=O)CCNS(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(CN(C(=O)Nc2c[nH]nc2-c2ccccn2)C(C)C)s1 Cc1ccc(C[*:1])s1 CC(C)N(C(=O)Nc1c[nH]nc1-c1ccccn1)[*:1]
Cc1ccc(CN(C(=O)Nc2c[nH]nc2-c2ccccn2)C(C)C)s1 CC(C)[*:1] Cc1ccc(CN(C(=O)Nc2c[nH]nc2-c2ccccn2)[*:1])s1
Cc1ccc(CN(C(=O)Nc2c[nH]nc2-c2ccccn2)C(C)C)s1 c1ccc(nc1)[*:1] Cc1ccc(CN(C(=O)Nc2c[nH]nc2[*:1])C(C)C)s1
Cc1ccc(CN(C(=O)Nc2c[nH]nc2-c2ccccn2)C(C)C)s1 Cc1ccc(s1)[*:1] CC(C)N(C[*:1])C(=O)Nc1c[nH]nc1-c1ccccn1
CCc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)s1 Clc1cccc(c1)[*:1] CCc1ccc(s1)S(=O)(=O)[N-]c1cccc(c1)S(=O)(=O)N[*:1]
CCc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)s1 CCc1ccc(s1)[*:1] O=S(=O)(Nc1cccc(Cl)c1)c1cccc(c1)[N-]S(=O)(=O)[*:1]
COc1ccc(-c2nc(C)c(C(=O)NNC(=O)CO)s2)cc1OC O=C(CO)NNC(=O)[*:1] COc1ccc(cc1OC)-c1nc(C)c(s1)[*:1]
COC(=O)[C@@H](CNC(=O)NC1CCCCC1)Cc1cccc2ccccc12 COC(=O)[*:1] O=C(NC[C@@H](Cc1cccc2ccccc12)[*:1])NC1CCCCC1
COC(=O)[C@@H](CNC(=O)NC1CCCCC1)Cc1cccc2ccccc12 C1CCC(CC1)[*:1] COC(=O)[C@@H](CNC(=O)N[*:1])Cc1cccc2ccccc12
CCc1cccc(S(=O)(=O)N(CC)[C@H](C)c2cccnc2)c1 c1cncc(c1)[*:1] CCc1cccc(c1)S(=O)(=O)N(CC)[C@H](C)[*:1]
CCOc1cc(C[NH+]2CCCC2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C[NH+]1CCCC1
C[C@H]1CN(c2ccc(N)c(OC(C)(C)C)n2)C[C@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(N)c(n1)O[*:1]
C[C@H]1CN(c2ccc(N)c(OC(C)(C)C)n2)C[C@H](C)O1 CC(C)(C)O[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(N)c(n1)[*:1]
CCCSc1nnc(NC(=O)COc2ccccc2C)s1 CCCS[*:1] Cc1ccccc1OCC(=O)Nc1nnc(s1)[*:1]
CCCSc1nnc(NC(=O)COc2ccccc2C)s1 CCC[*:1] Cc1ccccc1OCC(=O)Nc1nnc(S[*:1])s1
CCCSc1nnc(NC(=O)COc2ccccc2C)s1 Cc1ccccc1[*:1] CCCSc1nnc(NC(=O)CO[*:1])s1
COc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc3c(s2)CCCC3)cc1 COc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N(C)Cc1nc2CCCCc2s1
CC[C@@H](C)N(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CC[C@@H](C)N(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)[*:1]
CC[C@@H](C)N(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 CC[C@@H](C)[*:1] O=C1NC2(CCCCC2)C(=O)N1CC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCn1nnnc1-c1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1 CCn1nnnc1[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)Cc1ccccc1F
CCn1nnnc1-c1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1 Fc1ccccc1C[*:1] CCn1nnnc1-c1cccc(c1)C(=O)N1CCN(CC1)[*:1]
CCn1nnnc1-c1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1 Fc1ccccc1[*:1] CCn1nnnc1-c1cccc(c1)C(=O)N1CCN(CC1)C[*:1]
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)Nc1ccccc1
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)C1CCN(CC1)C(=O)N[*:1]
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)Nc1ccccc1
Cc1cccc(-n2nnnc2SCc2ccccc2[N+](=O)[O-])c1 Cc1cccc(c1)[*:1] O=[N+]([O-])c1ccccc1CSc1nnnn1[*:1]
Cc1cccc(-n2nnnc2SCc2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cccc(c1)-n1nnnc1SCc1ccccc1[*:1]
CC(C)c1cc(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)nn1C CC(C)[*:1] CN1C(=O)C[C@H](NC(=O)c2cc(n(C)n2)[*:1])[C@@H]1c1ccc(Cl)cc1
CC(C)c1cc(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)nn1C Clc1ccc(cc1)[*:1] CC(C)c1cc(nn1C)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1[*:1]
O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1ccccc1NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1Cl
O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1Cl
O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 O=C(NCc1ccccc1)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CC(=O)N(C1)c1ccccc1Cl
O=C(C[NH+]1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1)NCc1ccccc1 Clc1cccc(c1Cl)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N[*:1])NCc1ccccc1
O=C(C[NH+]1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CC[NH+](CC1)CC(=O)N[*:1])Nc1cccc(Cl)c1Cl
O=C(C[NH+]1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)Nc1cccc(Cl)c1Cl)NC[*:1]
C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1c1cccc(OCC)c1 CCO[*:1] C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1c1cccc(c1)[*:1]
C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1c1cccc(OCC)c1 Oc1ccc(Cl)cc1[*:1] C=CCN1C(=O)c2[nH]nc(c2[C@@H]1c1cccc(c1)OCC)[*:1]
C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1c1cccc(OCC)c1 C=CC[*:1] CCOc1cccc(c1)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1cc(Cl)ccc1O
C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1c1cccc(OCC)c1 CCOc1cccc(c1)[*:1] C=CCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1[*:1]
CCC(=O)CCCc1nc(C)cs1 CCC(=O)[*:1] Cc1csc(CCC[*:1])n1
O=C(NCCc1c(F)cccc1Cl)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(NCCc1c(F)cccc1Cl)C(=O)N[*:1]
CCOc1ccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)[nH]c2c1 CCO[*:1] O=C(c1cc2ccc(cc2[nH]1)[*:1])N1CCN(C/C=C/c2ccccc2)CC1
CCOc1ccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)[nH]c2c1 C(=C[*:1])c1ccccc1 CCOc1ccc2cc([nH]c2c1)C(=O)N1CCN(CC1)C[*:1]
CCOc1ccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)[nH]c2c1 c1ccc(cc1)[*:1] CCOc1ccc2cc([nH]c2c1)C(=O)N1CCN(CC=C[*:1])CC1
CCOc1ccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)[nH]c2c1 C(=C/c1ccccc1)\C[*:1] CCOc1ccc2cc([nH]c2c1)C(=O)N1CCN(CC1)[*:1]
Cc1nc(N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c2c(-c3ccccc3)csc2n1 O=[N+]([O-])[*:1] Cc1nc(N[C@H](CO)[C@H](O)c2ccc(cc2)[*:1])c2c(csc2n1)-c1ccccc1
Cc1nc(N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c2c(-c3ccccc3)csc2n1 c1ccc(cc1)[*:1] Cc1nc(N[C@H](CO)[C@H](O)c2ccc(cc2)[N+](=O)[O-])c2c(csc2n1)[*:1]
Cc1nc(N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c2c(-c3ccccc3)csc2n1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1nc(N[C@H](CO)[C@H](O)[*:1])c2c(csc2n1)-c1ccccc1
CCOCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 CCO[*:1] C[C@H]([NH2+]CCC[*:1])c1cc(F)cc(F)c1
CCOCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 CCOCC[*:1] C[C@H]([NH2+]C[*:1])c1cc(F)cc(F)c1
CCOCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 CCOC[*:1] C[C@H]([NH2+]CC[*:1])c1cc(F)cc(F)c1
N#C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)c1nnc2n1CCCCC2 FC(F)[*:1] N#C/C(=C/c1ccc(cc1OC(F)F)O[*:1])c1nnc2CCCCCn21
N#C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)c1nnc2n1CCCCC2 FC(F)O[*:1] N#C/C(=C/c1ccc(cc1OC(F)F)[*:1])c1nnc2CCCCCn21
N#C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)c1nnc2n1CCCCC2 FC(F)O[*:1] N#C/C(=C/c1ccc(cc1[*:1])OC(F)F)c1nnc2CCCCCn21
N#C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)c1nnc2n1CCCCC2 FC(F)[*:1] N#C/C(=C/c1ccc(cc1O[*:1])OC(F)F)c1nnc2CCCCCn21
Cc1cccc(N2C[C@@H](C(=O)N3CCCN(C(=O)C(C)(C)C)CC3)CC2=O)c1C Cc1cccc(c1C)[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1cccc(N2C[C@@H](C(=O)N3CCCN(C(=O)C(C)(C)C)CC3)CC2=O)c1C CC(C)(C)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)N1CCCN(CC1)C(=O)[*:1]
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCCC1CCCCC1 C1CCC(CC1)CC[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[*:1]
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCCC1CCCCC1 C1CCC(CC1)C[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[*:1]
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCCC1CCCCC1 C1CCC(CC1)[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCC[*:1]
C[NH+](CCO)C1CCN(C(=O)c2ccc(C3SCCCS3)cc2)CC1 C1CSC(SC1)[*:1] C[NH+](CCO)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)[*:1]
CCc1c(C(=O)N2CCC[C@H](CC)C2)cnn1-c1ccc(OC)nn1 COc1ccc(nn1)[*:1] CCc1c(cnn1[*:1])C(=O)N1CCC[C@H](CC)C1
O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2cccnc2)C1 c1cncc(c1)C[*:1] O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H](CCC(=O)N2[*:1])C1
O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2cccnc2)C1 c1cncc(c1)[*:1] O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H](CCC(=O)N2C[*:1])C1
O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2cccnc2)C1 Fc1ccc(cc1)[*:1] O=C1CC[C@@H]2CN(CC[C@@H]2N1Cc1cccnc1)C(=O)[*:1]
COC[C@H](O)C[NH2+][C@H](c1ccccc1Cl)C(C)C CC(C)[*:1] COC[C@H](O)C[NH2+][C@H](c1ccccc1Cl)[*:1]
COC[C@H](O)C[NH2+][C@H](c1ccccc1Cl)C(C)C COC[C@H](O)[*:1] CC(C)[C@H]([NH2+]C[*:1])c1ccccc1Cl
COC[C@H](O)C[NH2+][C@H](c1ccccc1Cl)C(C)C COC[*:1] CC(C)[C@H]([NH2+]C[C@@H](O)[*:1])c1ccccc1Cl
O=C(/C=C/c1cccc(Br)c1)N(Cc1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] O=C(/C=C/c1cccc(Br)c1)N(C[*:1])C1CC1
O=C(/C=C/c1cccc(Br)c1)N(Cc1ccc(F)cc1)C1CC1 Brc1cccc(c1)[*:1] O=C(C=C[*:1])N(Cc1ccc(F)cc1)C1CC1
O=C(/C=C/c1cccc(Br)c1)N(Cc1ccc(F)cc1)C1CC1 C1CC1[*:1] O=C(/C=C/c1cccc(Br)c1)N(Cc1ccc(F)cc1)[*:1]
C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 CC(C)(C)OC(=O)N[*:1] C[C@H](c1nnc(o1)S(=O)(=O)Cc1ccccc1F)[*:1]
C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 Fc1ccccc1[*:1] C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)C[*:1]
C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 CC(C)(C)[*:1] C[C@H](NC(=O)O[*:1])c1nnc(o1)S(=O)(=O)Cc1ccccc1F
C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 Fc1ccccc1C[*:1] C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)[*:1]
CCOC(=O)c1cccc(N[C@@H](C)c2ccc(N3C(=O)NC[C@@H]3C)cc2)n1 CCOC(=O)[*:1] C[C@H](Nc1cccc(n1)[*:1])c1ccc(cc1)N1C(=O)NC[C@@H]1C
CC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)cc1C Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N1C[C@H](C)O[C@H](C1)[*:1]
CC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1C[C@H](C)O[C@@H](C1)c1ccc(F)cc1
COCc1ccc(C(=O)NC(c2cccs2)c2cccs2)cc1 c1csc(c1)[*:1] COCc1ccc(cc1)C(=O)NC(c1cccs1)[*:1]
COCc1ccc(C(=O)NC(c2cccs2)c2cccs2)cc1 COC[*:1] O=C(NC(c1cccs1)c1cccs1)c1ccc(cc1)[*:1]
O=C1CCCc2c1cnc1nc(SCc3ccc([N+](=O)[O-])cc3)nn21 O=[N+]([O-])[*:1] O=C1CCCc2c1cnc1nc(nn21)SCc1ccc(cc1)[*:1]
CC(C)=CC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 CC(C)=C[*:1] Cc1noc([N-]S(=O)(=O)c2ccc(cc2)NC(=O)[*:1])c1C
CC(C)=CC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 CC(C)=CC(=O)N[*:1] Cc1noc([N-]S(=O)(=O)c2ccc(cc2)[*:1])c1C
CS(=O)(=O)[C@H]1CC[C@H](OC(=O)c2sccc2SC(F)F)C1 FC(F)S[*:1] CS(=O)(=O)[C@H]1CC[C@@H](C1)OC(=O)c1sccc1[*:1]
CS(=O)(=O)[C@H]1CC[C@H](OC(=O)c2sccc2SC(F)F)C1 CS(=O)(=O)[*:1] O=C(O[C@H]1CC[C@@H](C1)[*:1])c1sccc1SC(F)F
CS(=O)(=O)[C@H]1CC[C@H](OC(=O)c2sccc2SC(F)F)C1 FC(F)[*:1] CS(=O)(=O)[C@H]1CC[C@@H](C1)OC(=O)c1sccc1S[*:1]
CNC(=O)c1cccc(N[C@H](C)C(=O)N2CCOCC2)c1 CNC(=O)[*:1] C[C@@H](Nc1cccc(c1)[*:1])C(=O)N1CCOCC1
CC[C@@H]1C[NH2+]CC[C@H]1c1ccc(COC)cc1 COC[*:1] CC[C@@H]1C[NH2+]CC[C@H]1c1ccc(cc1)[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] CN(C1CC1)S(=O)(=O)c1ccc(cc1)NC(=O)N[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)NC2CCCC2)cc1 C1CC1[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)NC1CCCC1)[*:1]
Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(C)(C)C3)C2=O)c1 Cc1cccc(c1)[*:1] CC1(C)CCN(C1)C(=O)CC[C@@H]1NC(=O)N(C1=O)[*:1]
O=[N+]([O-])c1ccc(Cl)c(NCn2nnc3ccccc32)c1 O=[N+]([O-])[*:1] Clc1ccc(cc1NCn1nnc2ccccc21)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1Sc2ccccc2NC1=O O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)C[C@H]1Sc2ccccc2NC1=O)[*:1]
CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O Clc1ccc(c(Cl)c1)[*:1] CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O Fc1cccc(c1)[*:1] CCN(C[*:1])C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(Cl)cc1Cl
CCN(Cc1cccc(F)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O Fc1cccc(c1)C[*:1] CCN(C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(Cl)cc1Cl)[*:1]
CC(C)Oc1ccc2c(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc(=O)oc2c1 CC(C)[*:1] N#Cc1c(NC(=O)c2cc(=O)oc3cc(ccc23)O[*:1])sc2CCCCCc21
CC(C)Oc1ccc2c(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc(=O)oc2c1 CC(C)O[*:1] N#Cc1c(NC(=O)c2cc(=O)oc3cc(ccc23)[*:1])sc2CCCCCc21
CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(Cl)cc3)ccc21 c1ccc(cc1)C[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[C@H](C(=O)Nc1ccc(Cl)cc1)[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(Cl)cc3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[C@H](C[*:1])C(=O)Nc1ccc(Cl)cc1
CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(Cl)cc3)ccc21 O=C(Nc1ccc(Cl)cc1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[C@H](Cc1ccccc1)[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(Cl)cc3)ccc21 Clc1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[*:1]
Cc1[nH+]c(N2CCC[C@H](N3CCCC3=O)C2)ccc1I O=C1CCCN1[*:1] Cc1[nH+]c(ccc1I)N1CCC[C@H](C1)[*:1]
O=C(CCc1nc2ccccc2s1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(CCc1nc2ccccc2s1)N1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
O=C(CCc1nc2ccccc2s1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] O=C(CCc1nc2ccccc2s1)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
O=C(CCc1nc2ccccc2s1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 c1ccc2sc(nc2c1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
O=C(CCc1nc2ccccc2s1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 c1ccc2sc(C[*:1])nc2c1 O=C(C[*:1])N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
CCc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)cc1 CCc1ccc(cc1)[*:1] C[C@H]1CCCN(C1)c1nc2ncn(CC(=O)N[*:1])c(=O)c2s1
CN(C(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1nccs1 c1csc(n1)[*:1] CN(C(=O)[C@H]1C[C@H]1c1cccc(Br)c1)[*:1]
CCCNC(=O)CO/N=C1\CCOc2ccccc21 CCC[*:1] O=C(CO/N=C1\CCOc2ccccc21)N[*:1]
CCCNC(=O)CO/N=C1\CCOc2ccccc21 CCCNC(=O)[*:1] c1ccc2/C(CCOc2c1)=N/OC[*:1]
C=CCNC(=S)N/N=C(\C)c1cccc(C(F)(F)F)c1 C=CC[*:1] C/C(=N\NC(=S)N[*:1])c1cccc(c1)C(F)(F)F
C=CCNC(=S)N/N=C(\C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C=CCNC(=S)N/N=C(\C)c1cccc(c1)[*:1]
Cc1nn(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nn(CN2CCC[C@@H](C2)C(=O)N[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CN2CCC[C@@H](C2)C(=O)Nc2ccccc2)c(C)c1[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1=O CCC[C@@H](C)[*:1] O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H]1CC(=O)N(C1)[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1=O CCC[*:1] C[C@@H](N1C[C@H](CC1=O)C(=O)N[C@H]1c2ccccc2C[C@H]1O)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCC1 CCC[C@@H](C)[*:1] C[C@@H](C(=O)N[*:1])[NH+]1CCCC1
CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCC1 CCC[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])[NH+]1CCCC1
CSCCOC(=O)[C@@H](C)Oc1cccc(Cl)c1 CSC[*:1] C[C@@H](Oc1cccc(Cl)c1)C(=O)OC[*:1]
CSCCOC(=O)[C@@H](C)Oc1cccc(Cl)c1 CSCC[*:1] C[C@@H](Oc1cccc(Cl)c1)C(=O)O[*:1]
CCCC[C@@H](CC)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O CCCC[*:1] CC[C@@H](CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)[*:1]
CCCC[C@@H](CC)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O CCC[*:1] CC[C@@H](CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)C[*:1]
O=C(NCc1ncc[nH]1)N1CCCCC1 c1c[nH]c(n1)[*:1] O=C(NC[*:1])N1CCCCC1
CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1
Cc1ccccc1C[C@H](C)NC(=O)Cn1ccnc1-c1cnccn1 c1cnc(cn1)[*:1] Cc1ccccc1C[C@H](C)NC(=O)Cn1ccnc1[*:1]
Cc1ccccc1C[C@H](C)NC(=O)Cn1ccnc1-c1cnccn1 Cc1ccccc1[*:1] C[C@@H](C[*:1])NC(=O)Cn1ccnc1-c1cnccn1
Cc1ccccc1C[C@H](C)NC(=O)Cn1ccnc1-c1cnccn1 Cc1ccccc1C[*:1] C[C@H](NC(=O)Cn1ccnc1-c1cnccn1)[*:1]
COc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc4c(c32)CCCC4)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cn1c(=O)c2sc3CCCCc3c2n(CC(=O)N[*:1])c1=O
Cc1nn(-c2ccc(Cl)c(F)c2)cc1C(=O)[O-] O=C([O-])[*:1] Cc1nn(cc1[*:1])-c1ccc(Cl)c(F)c1
O=C(NCc1cccnc1)NCc1cnn(Cc2ccccc2)c1 c1cncc(c1)C[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)N[*:1]
O=C(NCc1cccnc1)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(NCc1cccnc1)NCc1cnn(c1)C[*:1]
O=C(NCc1cccnc1)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(NCc1cccnc1)NCc1cnn(c1)[*:1]
O=C(NCc1cccnc1)NCc1cnn(Cc2ccccc2)c1 c1cncc(c1)[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)NC[*:1]
CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1c(=O)n(C)c2ccccc21 Clc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)Cn1c(=O)n(C)c2ccccc21
O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCN(CC1)S(=O)(=O)[*:1]
COCCCOc1cccc([C@H]2Nc3ccccc3C(=O)N2C)c1 COCCCO[*:1] CN1C(=O)c2ccccc2N[C@@H]1c1cccc(c1)[*:1]
COCCCOc1cccc([C@H]2Nc3ccccc3C(=O)N2C)c1 COCCC[*:1] CN1C(=O)c2ccccc2N[C@@H]1c1cccc(c1)O[*:1]
COCCCOc1cccc([C@H]2Nc3ccccc3C(=O)N2C)c1 COC[*:1] CN1C(=O)c2ccccc2N[C@@H]1c1cccc(c1)OCC[*:1]
COCCCOc1cccc([C@H]2Nc3ccccc3C(=O)N2C)c1 COCC[*:1] CN1C(=O)c2ccccc2N[C@@H]1c1cccc(c1)OC[*:1]
CCCCc1nnc(S[C@H](CC)C(N)=O)n1N NC(=O)[*:1] CCCCc1nnc(S[C@H](CC)[*:1])n1N
CCCCc1nnc(S[C@H](CC)C(N)=O)n1N CCC[*:1] CC[C@@H](Sc1nnc(C[*:1])n1N)C(N)=O
CCCCc1nnc(S[C@H](CC)C(N)=O)n1N CCCC[*:1] CC[C@@H](Sc1nnc(n1N)[*:1])C(N)=O
NC(=O)NC1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 C1CCC(C1)[*:1] NC(=O)NC1CC[NH+](CC1)Cc1cccc(c1)O[*:1]
NC(=O)NC1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 C1CCC(C1)O[*:1] NC(=O)NC1CC[NH+](CC1)Cc1cccc(c1)[*:1]
NC(=O)NC1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 NC(=O)N[*:1] c1cc(cc(c1)OC1CCCC1)C[NH+]1CCC(CC1)[*:1]
CC(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 CC(C)C[*:1] C1CCC2(C1)[C@H]1OCC[C@@H]1[C@H]2[NH2+][*:1]
CC(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 CC(C)[*:1] C1CCC2(C1)[C@H]1OCC[C@@H]1[C@H]2[NH2+]C[*:1]
CON(C)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 CON(C)C(=O)C[*:1] FC(F)(F)c1ccc2sc(C[*:1])nc2c1
CON(C)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 CON(C)C(=O)[*:1] FC(F)(F)c1ccc2sc(CC[*:1])nc2c1
CON(C)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 FC(F)(F)[*:1] CON(C)C(=O)CCc1nc2cc(ccc2s1)[*:1]
CC(C)OCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C CC(C)OCCC[*:1] C[C@H]1Cc2cccc3c(=O)c(cn1c23)C(=O)N[*:1]
CC(C)OCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C CC(C)OC[*:1] C[C@H]1Cc2cccc3c(=O)c(cn1c23)C(=O)NCC[*:1]
CC(C)OCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C CC(C)[*:1] C[C@H]1Cc2cccc3c(=O)c(cn1c23)C(=O)NCCCO[*:1]
CC(C)OCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C CC(C)O[*:1] C[C@H]1Cc2cccc3c(=O)c(cn1c23)C(=O)NCCC[*:1]
CC(C)OCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C CC(C)OCC[*:1] C[C@H]1Cc2cccc3c(=O)c(cn1c23)C(=O)NC[*:1]
C[C@H]1CCCC[C@@H]1OCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N CC(C)(C)[*:1] C[C@H]1CCCC[C@@H]1OCCNC(=O)C(=O)Nc1nn(cc1C#N)[*:1]
CCOc1ccc(/C=C2/NC(=S)NC2=O)cc1OC CCO[*:1] COc1cc(/C=C2/NC(=S)NC2=O)ccc1[*:1]
O=C(/C=C/c1ccccc1)Nc1ncc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ncc(Cc2ccccc2)s1
O=C(/C=C/c1ccccc1)Nc1ncc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1)Nc1ncc(C[*:1])s1
O=C(/C=C/c1ccccc1)Nc1ncc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] O=C(/C=C/c1ccccc1)Nc1ncc(s1)[*:1]
COc1ccc(OCC(=O)N[C@H](C)C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)OCC(=O)N[C@H](C)[*:1]
Cc1cc(C)c(CNC(=O)c2cc(-c3ccccc3)no2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1cc(C)c(CNC(=O)c2cc(no2)[*:1])c(=O)[nH]1
CS(=O)(=O)NC1CCN(C(=O)CCCSc2ccccc2)CC1 c1ccc(cc1)S[*:1] CS(=O)(=O)NC1CCN(CC1)C(=O)CCC[*:1]
CS(=O)(=O)NC1CCN(C(=O)CCCSc2ccccc2)CC1 CS(=O)(=O)N[*:1] O=C(CCCSc1ccccc1)N1CCC(CC1)[*:1]
CS(=O)(=O)NC1CCN(C(=O)CCCSc2ccccc2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)NC1CCN(CC1)C(=O)CCCS[*:1]
O=c1[nH]c(NCc2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] O=c1[nH]c(nc2ccccc12)NC[*:1]
CC(C)COC1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 CC(C)[*:1] O=C(N1CCC(CC1)OC[*:1])C1(CC1)c1cccc(Cl)c1
CC(C)COC1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 Clc1cccc(c1)[*:1] CC(C)COC1CCN(CC1)C(=O)C1(CC1)[*:1]
CC(C)COC1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 CC(C)C[*:1] O=C(N1CCC(CC1)O[*:1])C1(CC1)c1cccc(Cl)c1
CC(C)COC1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 CC(C)CO[*:1] O=C(N1CCC(CC1)[*:1])C1(CC1)c1cccc(Cl)c1
COC(=O)c1c(NC(=S)N2CCC[C@@H](C)C2)sc(C)c1-c1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1c(NC(=S)N2CCC[C@@H](C)C2)sc(C)c1[*:1]
COC(=O)c1c(NC(=S)N2CCC[C@@H](C)C2)sc(C)c1-c1ccccc1 COC(=O)[*:1] Cc1sc(NC(=S)N2CCC[C@@H](C)C2)c(c1-c1ccccc1)[*:1]
CCc1nn(C)cc1C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 CCc1nn(C)cc1[*:1] O=C(NC[C@@H]1CCCCN1C(=O)[*:1])c1ccccc1
CCc1nn(C)cc1C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)N1CCCC[C@H]1CNC(=O)[*:1]
Cc1nccn1-c1ccc([C@H](C)NCCc2ccccn2)cc1 Cc1nccn1[*:1] C[C@H](NCCc1ccccn1)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@H](C)NCCc2ccccn2)cc1 c1ccc(C[*:1])nc1 Cc1nccn1-c1ccc(cc1)[C@H](C)NC[*:1]
Cc1nccn1-c1ccc([C@H](C)NCCc2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NCC[*:1]
COC[C@@H](O)CNc1c(C#N)cnc2c(C)cc(C)cc12 COC[*:1] Cc1cc(C)c2ncc(C#N)c(NC[C@H](O)[*:1])c2c1
COC[C@@H](O)CNc1c(C#N)cnc2c(C)cc(C)cc12 COC[C@@H](O)C[*:1] Cc1cc(C)c2ncc(C#N)c(N[*:1])c2c1
COC[C@@H](O)CNc1c(C#N)cnc2c(C)cc(C)cc12 COC[C@@H](O)CN[*:1] Cc1cc(C)c2ncc(C#N)c(c2c1)[*:1]
COC[C@@H](O)CNc1c(C#N)cnc2c(C)cc(C)cc12 COC[C@@H](O)[*:1] Cc1cc(C)c2ncc(C#N)c(NC[*:1])c2c1
CCOC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(Cc2cccnc2)C4)cc1 CCOC(=O)[*:1] O=c1c(coc2c3CN(COc3ccc12)Cc1cccnc1)Oc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(Cc2cccnc2)C4)cc1 c1cncc(c1)[*:1] CCOC(=O)c1ccc(cc1)Oc1coc2c3CN(COc3ccc2c1=O)C[*:1]
CCOC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(Cc2cccnc2)C4)cc1 CCOC(=O)c1ccc(cc1)[*:1] O=c1c(coc2c3CN(COc3ccc12)Cc1cccnc1)O[*:1]
CCOC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(Cc2cccnc2)C4)cc1 c1cncc(c1)C[*:1] CCOC(=O)c1ccc(cc1)Oc1coc2c3CN(COc3ccc2c1=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=S(=O)(c1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2nc3ccc(F)cc3s2)CC1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])N1CCN(CC1)c1nc2ccc(F)cc2s1
Cc1ccc(OCC(=O)N/N=C/c2ccccc2Br)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])N/N=C/c1ccccc1Br
Cc1ccc(OCC(=O)N/N=C/c2ccccc2Br)cc1 Brc1ccccc1[*:1] Cc1ccc(cc1)OCC(=O)NN=C[*:1]
O=C(OCc1ccccn1)c1cn(-c2cccc(F)c2)c(=O)c2ccccc12 Fc1cccc(c1)[*:1] O=C(OCc1ccccn1)c1cn(c(=O)c2ccccc12)[*:1]
O=C(OCc1ccccn1)c1cn(-c2cccc(F)c2)c(=O)c2ccccc12 c1ccc(nc1)[*:1] O=C(OC[*:1])c1cn(-c2cccc(F)c2)c(=O)c2ccccc12
O=C(OCc1ccccn1)c1cn(-c2cccc(F)c2)c(=O)c2ccccc12 c1ccc(C[*:1])nc1 O=C(O[*:1])c1cn(-c2cccc(F)c2)c(=O)c2ccccc12
Cc1cccc2c(=O)n(CC(=O)[C@H](C#N)c3nc(C(C)C)cs3)cnc12 CC(C)[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)[C@H](C#N)c1nc(cs1)[*:1]
Cc1cccc2c(=O)n(CC(=O)[C@H](C#N)c3nc(C(C)C)cs3)cnc12 CC(C)c1csc(n1)[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)[C@H](C#N)[*:1]
Cc1ccc([C@@H](C)NC(=O)c2cc(C)no2)cc1 Cc1cc(on1)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)[*:1]
Cc1noc(NC(=O)c2cnn(-c3ccncc3)c2C)n1 Cc1noc(n1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N[*:1]
Cc1noc(NC(=O)c2cnn(-c3ccncc3)c2C)n1 c1cc(ccn1)[*:1] Cc1noc(n1)NC(=O)c1cnn(c1C)[*:1]
Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)no1 Cc1cc(no1)[*:1] O=C(N[*:1])[C@@H]1C[C@H]1c1ccccc1F
CCc1nn(CC)c(C[C@H](O)CCC(F)(F)F)c1Br FC(F)(F)[*:1] CCc1nn(CC)c(C[C@H](O)CC[*:1])c1Br
CCc1nn(CC)c(C[C@H](O)CCC(F)(F)F)c1Br FC(F)(F)C[*:1] CCc1nn(CC)c(C[C@H](O)C[*:1])c1Br
CCc1nn(CC)c(C[C@H](O)CCC(F)(F)F)c1Br FC(F)(F)CC[*:1] CCc1nn(CC)c(C[C@H](O)[*:1])c1Br
Cc1cc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)no1 C1CC1[*:1] Cc1cc(no1)NC(=O)CSc1nnc(n1C1CC1)[*:1]
Cc1cc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)no1 Cc1cc(no1)[*:1] O=C(CSc1nnc(C2CC2)n1C1CC1)N[*:1]
Cc1cc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)no1 C1CC1[*:1] Cc1cc(no1)NC(=O)CSc1nnc(C2CC2)n1[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1N[C@@H](C)c1cnc2cc(C)nn2c1C CC[S@@](=O)[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)N[C@H]1CCCC[C@@H]1[*:1]
CC(=O)NCCc1ccc(C(=O)COc2ccc(F)cc2Br)s1 CC(=O)NCC[*:1] O=C(COc1ccc(F)cc1Br)c1ccc(s1)[*:1]
CC(=O)NCCc1ccc(C(=O)COc2ccc(F)cc2Br)s1 CC(=O)NC[*:1] O=C(COc1ccc(F)cc1Br)c1ccc(C[*:1])s1
CC(=O)NCCc1ccc(C(=O)COc2ccc(F)cc2Br)s1 CC(=O)N[*:1] O=C(COc1ccc(F)cc1Br)c1ccc(CC[*:1])s1
C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)NCc1ccco1 O=C(NCc1ccco1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1C[*:1]
C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)NCc1ccco1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)NCc1ccco1
C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)N[*:1]
C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)NC[*:1]
COC(=O)Cc1ccc(OS(=O)(=O)c2ccc(Cl)s2)cc1 COC(=O)[*:1] O=S(=O)(Oc1ccc(cc1)C[*:1])c1ccc(Cl)s1
COC(=O)Cc1ccc(OS(=O)(=O)c2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] COC(=O)Cc1ccc(cc1)OS(=O)(=O)[*:1]
COC(=O)Cc1ccc(OS(=O)(=O)c2ccc(Cl)s2)cc1 COC(=O)C[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccc(Cl)s1
CC1(C)[C@H]2OCCC[C@@H]2[C@@H]1OC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CC1(C)[C@H]2OCCC[C@@H]2[C@@H]1OC(=O)c1ccc(cc1)[*:1]
COc1cc(C(=O)NC2(c3noc(C)n3)CCCCCC2)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(ccc1[*:1])C(=O)NC1(CCCCCC1)c1noc(C)n1
COc1cc(C(=O)NC2(c3noc(C)n3)CCCCCC2)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(ccc1O[*:1])C(=O)NC1(CCCCCC1)c1noc(C)n1
COc1cc(C(=O)NC2(c3noc(C)n3)CCCCCC2)ccc1OCC(N)=O Cc1nc(no1)[*:1] COc1cc(ccc1OCC(N)=O)C(=O)NC1(CCCCCC1)[*:1]
COc1cc(C(=O)NC2(c3noc(C)n3)CCCCCC2)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OC[*:1])C(=O)NC1(CCCCCC1)c1noc(C)n1
COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nccs2)ccc1OCC(C)C CC(C)C[*:1] COc1cc(ccc1O[*:1])[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1c1nccs1
COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nccs2)ccc1OCC(C)C CC(C)[*:1] COc1cc(ccc1OC[*:1])[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1c1nccs1
COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nccs2)ccc1OCC(C)C c1csc(n1)[*:1] COc1cc(ccc1OCC(C)C)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nccs2)ccc1OCC(C)C CC(C)CO[*:1] COc1cc(ccc1[*:1])[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1c1nccs1
Cc1cc(C2=N[C@@H]3C(=N2)C=NN3C(C)C)n(C)n1 CC(C)[*:1] Cc1cc(C2=N[C@@H]3C(C=NN3[*:1])=N2)n(C)n1
CC(=O)Nc1cccc(Nc2nc(C)nc3c2oc2ccccc23)c1 CC(=O)N[*:1] Cc1nc(Nc2cccc(c2)[*:1])c2oc3ccccc3c2n1
CN(C1CC1)[C@@H](C[NH3+])c1cccn1C C1CC1[*:1] CN([C@@H](C[NH3+])c1cccn1C)[*:1]
O[C@@H](CN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCCCO2 Fc1ccccc1[*:1] O[C@@H](CN1CCN(CC1)[*:1])c1ccc2OCCCOc2c1
Cc1ccc(Sc2c(C)nn(C(=O)c3cc4ccccc4oc3=O)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C(=O)c2cc3ccccc3oc2=O)c(C)c1S[*:1]
Cc1ccc(Sc2c(C)nn(C(=O)c3cc4ccccc4oc3=O)c2C)cc1 Cc1ccc(cc1)S[*:1] Cc1nn(C(=O)c2cc3ccccc3oc2=O)c(C)c1[*:1]
Cc1ccc([C@@H](C)NC(=O)CN2CCN(C(=O)CO)CC2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)CN1CCN(CC1)C(=O)CO)[*:1]
Cc1ccc([C@@H](O)CNC(=O)C(=O)NCC(C)C)o1 CC(C)[*:1] Cc1ccc(o1)[C@@H](O)CNC(=O)C(=O)NC[*:1]
Cc1ccc([C@@H](O)CNC(=O)C(=O)NCC(C)C)o1 CC(C)C[*:1] Cc1ccc(o1)[C@@H](O)CNC(=O)C(=O)N[*:1]
Cc1ccc([C@@H](O)CNC(=O)C(=O)NCC(C)C)o1 Cc1ccc(o1)[*:1] CC(C)CNC(=O)C(=O)NC[C@H](O)[*:1]
COc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OC)c(Br)c1[O-] COc1ccccc1[*:1] COc1c(Br)cc(/C=N/NC(=O)CO[*:1])c([O-])c1Br
CCOC(=O)c1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1 CCOC(=O)[*:1] C[NH+]1CCN(CC1)C(C)(C)CNC(=O)Nc1ccc(cc1)[*:1]
O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1coc2cc3CCCc3cc12)NC[*:1]
O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1coc2cc3CCCc3cc12)N[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)NCc2cn3c(C)cccc3[nH+]2)c1 CCN(CC)C(=O)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)Nc1cccc(c1)[*:1]
CCCn1c(C)nnc1CSCc1ncoc1C(C)C CCC[*:1] Cc1nnc(CSCc2ncoc2C(C)C)n1[*:1]
CCCn1c(C)nnc1CSCc1ncoc1C(C)C CC(C)[*:1] CCCn1c(C)nnc1CSCc1ncoc1[*:1]
Cc1cc([C@H]2CCCN2C(=O)NCc2nnc3n2CCCCC3)on1 Cc1cc(on1)[*:1] O=C(NCc1nnc2CCCCCn21)N1CCC[C@@H]1[*:1]
C[C@@H]1CN(C(=O)c2csc(C#CCN)c2)C[C@@H](C)O1 NCC#C[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1csc(c1)[*:1]
COC(=O)c1ccc(=O)n(CC(=O)NC[C@H]2COc3ccccc3O2)c1 COC(=O)[*:1] O=C(Cn1cc(ccc1=O)[*:1])NC[C@H]1COc2ccccc2O1
Cc1nc(CNC(=O)C[C@H]2CCOc3ccccc32)c(C)s1 Cc1nc(c(C)s1)[*:1] O=C(C[C@H]1CCOc2ccccc21)NC[*:1]
O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 O=C(Cc1csc(n1)-c1ccccc1)Nc1ccc(cc1)[*:1]
O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] O=C(Cc1csc(n1)-c1ccccc1)Nc1ccc(cc1)C[*:1]
O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(Cn2cncn2)cc1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc(cc1)Cn1cncn1
C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1ccn(C)n1 Fc1ccc(cc1)[*:1] C[C@@H](CS[*:1])C(=O)NCc1ccn(C)n1
C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1ccn(C)n1 Cn1ccc(C[*:1])n1 C[C@@H](CSc1ccc(F)cc1)C(=O)N[*:1]
C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1ccn(C)n1 Cn1ccc(n1)[*:1] C[C@@H](CSc1ccc(F)cc1)C(=O)NC[*:1]
C[NH+](C)[C@@H](CNC(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)N[C@H]1c2ccccc2C[C@@H]1O)[*:1]
CC(C)(C)NC(=O)Cc1csc(-c2ccccc2)n1 CC(C)(C)[*:1] O=C(Cc1csc(n1)-c1ccccc1)N[*:1]
CC(C)(C)NC(=O)Cc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)Cc1csc(n1)[*:1]
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N2CCC(CO)CC2)c1 CC[C@H](C)C(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])N1CCC(CO)CC1
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N2CCC(CO)CC2)c1 CC[C@H](C)[*:1] O=C(NCc1cccc(c1)NC(=O)[*:1])N1CCC(CO)CC1
CCNc1nc(-c2cc(Cl)cs2)nc(C)c1C(C)C CC(C)[*:1] CCNc1nc(nc(C)c1[*:1])-c1cc(Cl)cs1
CCNc1nc(-c2cc(Cl)cs2)nc(C)c1C(C)C CCN[*:1] Cc1nc(nc(c1C(C)C)[*:1])-c1cc(Cl)cs1
CCNc1nc(-c2cc(Cl)cs2)nc(C)c1C(C)C Clc1csc(c1)[*:1] CCNc1nc(nc(C)c1C(C)C)[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1 CC(C)(C)C(=O)N[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)NC(=O)[C@@H](C)[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)[C@H](O)[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[*:1]
CN(CC(C)(C)O)C(=O)/C=C/c1ccc(O)cc1 CC(C)(O)[*:1] CN(C[*:1])C(=O)/C=C/c1ccc(O)cc1
CN(CC(C)(C)O)C(=O)/C=C/c1ccc(O)cc1 CC(C)(O)C[*:1] CN(C(=O)/C=C/c1ccc(O)cc1)[*:1]
CC[C@@H]1CCCN(C(=O)c2ccccc2SC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)C[*:1] CC[C@@H]1CCCN(C1)C(=O)c1ccccc1S[*:1]
CC[C@@H]1CCCN(C(=O)c2ccccc2SC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)CS[*:1] CC[C@@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
CC[C@@H]1CCCN(C(=O)c2ccccc2SC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] CC[C@@H]1CCCN(C1)C(=O)c1ccccc1SC[*:1]
Cc1nc(S[C@@H]2C[C@H](C)OC2=O)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 CC(C)C[*:1] Cc1nc(S[C@@H]2C[C@H](C)OC2=O)c2c(=O)n(C)c(=O)n(c2n1)[*:1]
Cc1nc(S[C@@H]2C[C@H](C)OC2=O)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 CC(C)[*:1] Cc1nc(S[C@@H]2C[C@H](C)OC2=O)c2c(=O)n(C)c(=O)n(C[*:1])c2n1
O=C(Cn1nnc(-c2cccs2)n1)N1CCCC[C@@H]1c1nc2ccccc2s1 c1csc(c1)[*:1] O=C(Cn1nnc(n1)[*:1])N1CCCC[C@@H]1c1nc2ccccc2s1
O=C(Cn1nnc(-c2cccs2)n1)N1CCCC[C@@H]1c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(Cn1nnc(n1)-c1cccs1)N1CCCC[C@H]1[*:1]
CCOc1ccc([C@H]2c3c(-c4ccco4)nnc(O)c3Nc3nnnn32)cc1 c1coc(c1)[*:1] CCOc1ccc(cc1)[C@H]1c2c(nnc(O)c2Nc2nnnn21)[*:1]
CCOc1ccc([C@H]2c3c(-c4ccco4)nnc(O)c3Nc3nnnn32)cc1 CCOc1ccc(cc1)[*:1] Oc1nnc(-c2ccco2)c2c1Nc1nnnn1[C@H]2[*:1]
CCOc1ccc([C@H]2c3c(-c4ccco4)nnc(O)c3Nc3nnnn32)cc1 CCO[*:1] Oc1nnc(-c2ccco2)c2c1Nc1nnnn1[C@H]2c1ccc(cc1)[*:1]
N#Cc1cccnc1N1CCC[C@@H](N2CCNC2=O)C1 O=C1NCCN1[*:1] N#Cc1cccnc1N1CCC[C@@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H](OC(=O)c2scnc2C2CC2)C1 C1CC1[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)OC(=O)c1scnc1[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H](OC(=O)c2scnc2C2CC2)C1 CS(=O)(=O)[*:1] O=C(O[C@@H]1CCC[C@H](C1)[*:1])c1scnc1C1CC1
CC(C)Cc1nnc(NC(=O)N[C@H](CCO)c2cccs2)s1 c1csc(c1)[*:1] CC(C)Cc1nnc(NC(=O)N[C@H](CCO)[*:1])s1
CC(C)Cc1nnc(NC(=O)N[C@H](CCO)c2cccs2)s1 OCC[*:1] CC(C)Cc1nnc(NC(=O)N[C@H](c2cccs2)[*:1])s1
CC(C)Cc1nnc(NC(=O)N[C@H](CCO)c2cccs2)s1 CC(C)C[*:1] O=C(Nc1nnc(s1)[*:1])N[C@H](CCO)c1cccs1
CC(C)Cc1nnc(NC(=O)N[C@H](CCO)c2cccs2)s1 CC(C)[*:1] O=C(Nc1nnc(C[*:1])s1)N[C@H](CCO)c1cccs1
CC(=O)NCCNC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 CC(=O)N[*:1] C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCC[*:1]
CC(=O)NCCNC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 CC(=O)NCC[*:1] C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[*:1]
CC(=O)NCCNC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 CC(=O)NC[*:1] C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC[*:1]
CC(=O)NCCNC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)NCCNC(=O)N(C)[C@H](C)C[*:1]
COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 COc1ccc(cc1)[*:1] C[C@H]([NH2+]C1CCN(CC1)S(=O)(=O)C1CC1)[C@H](C)[*:1]
COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](C)[C@H](C)[NH2+]C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NC[C@H](O)c1ccccc1Cl)c1c(F)c(F)cc(F)c1F Clc1ccccc1[*:1] O=C(NC[C@H](O)[*:1])c1c(F)c(F)cc(F)c1F
Cc1cc(C)n(C2CN(C(=O)c3cnn4ccn(C)c34)C2)n1 Cc1cc(C)n(n1)[*:1] Cn1ccn2ncc(C(=O)N3CC(C3)[*:1])c12
CCn1cnnc1[C@H](C)Nc1cc(-c2ccccc2F)nc2ccnn12 Fc1ccccc1[*:1] CCn1cnnc1[C@H](C)Nc1cc(nc2ccnn12)[*:1]
CCn1cnnc1[C@H](C)Nc1cc(-c2ccccc2F)nc2ccnn12 CCn1cnnc1[*:1] C[C@H](Nc1cc(nc2ccnn12)-c1ccccc1F)[*:1]
CC[C@@H](CNC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)Cn1cccc(c1=O)C(F)(F)F)[*:1]
CC[C@@H](CNC(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccccc1 FC(F)(F)[*:1] CC[C@@H](CNC(=O)Cn1cccc(c1=O)[*:1])c1ccccc1
Cc1nn(C)c(C)c1C[C@@H](C)Nc1cncc(OCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1C[C@@H](C)Nc1cncc(n1)OC[*:1]
Cc1nn(C)c(C)c1C[C@@H](C)Nc1cncc(OCc2ccccc2)n1 Cc1nn(C)c(C)c1[*:1] C[C@H](C[*:1])Nc1cncc(n1)OCc1ccccc1
Cc1nn(C)c(C)c1C[C@@H](C)Nc1cncc(OCc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1nn(C)c(C)c1C[C@@H](C)Nc1cncc(n1)O[*:1]
Cc1nn(C)c(C)c1C[C@@H](C)Nc1cncc(OCc2ccccc2)n1 c1ccc(cc1)CO[*:1] Cc1nn(C)c(C)c1C[C@@H](C)Nc1cncc(n1)[*:1]
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cc(Cl)ccc3C)ccc21 Cc1ccc(Cl)cc1[*:1] CCC(=O)N1CCc2cc(ccc21)S(=O)(=O)CCC(=O)N[*:1]
CCc1ccc([C@@H](C)C(=O)Nc2cc(-c3nnco3)ccc2C)cc1 c1nnc(o1)[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)Nc1cc(ccc1C)[*:1]
CCc1ccc([C@@H](C)C(=O)Nc2cc(-c3nnco3)ccc2C)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)[*:1])-c1nnco1
Cc1cccc(C)c1C(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] Cc1cccc(C)c1C(=O)NCC(C)(C)[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)[C@H](C)c2ccsc2)cc1 CC(C)O[*:1] C[C@H](NC(=O)[C@H](C)c1ccsc1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)[C@H](C)c2ccsc2)cc1 CC(C)[*:1] C[C@H](NC(=O)[C@H](C)c1ccsc1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)[C@H](C)c2ccsc2)cc1 c1cc(cs1)[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)[C@H](C)[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)[C@H](C)c2ccsc2)cc1 C[C@H](c1ccsc1)[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)[*:1]
CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H]1CCCC[C@H]1C Fc1ccc(cc1)[*:1] CCOc1cn(nc1C(=O)N[C@H]1CCCC[C@H]1C)[*:1]
CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H]1CCCC[C@H]1C CCO[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1nn(cc1[*:1])-c1ccc(F)cc1
COc1ccccc1[C@H](NC(=O)[C@@H](C)n1cccn1)C(C)(C)C c1cnn(c1)[*:1] COc1ccccc1[C@H](NC(=O)[C@@H](C)[*:1])C(C)(C)C
COc1ccccc1[C@H](NC(=O)[C@@H](C)n1cccn1)C(C)(C)C C[C@@H](n1cccn1)[*:1] COc1ccccc1[C@H](NC(=O)[*:1])C(C)(C)C
COc1ccccc1[C@H](NC(=O)[C@@H](C)n1cccn1)C(C)(C)C CC(C)(C)[*:1] COc1ccccc1[C@H](NC(=O)[C@@H](C)n1cccn1)[*:1]
C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O c1ccc(cc1)[*:1] C[C@@H](Sc1nc(-c2ccccc2)c(o1)[*:1])C(=O)c1c(N)n(C)c(=O)n(C)c1=O
C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O c1ccc(cc1)[*:1] C[C@@H](Sc1nc(c(o1)-c1ccccc1)[*:1])C(=O)c1c(N)n(C)c(=O)n(C)c1=O
C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O Cn1c(N)c(c(=O)n(C)c1=O)[*:1] C[C@@H](Sc1nc(-c2ccccc2)c(o1)-c1ccccc1)C(=O)[*:1]
COc1cc(CCC2CCN(S(=O)(=O)c3cccs3)CC2)cc(OC)c1 c1csc(c1)[*:1] COc1cc(cc(c1)OC)CCC1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)N1N=C(c2ccc([N+](=O)[O-])s2)O[C@H]1c1cccc(NC(=O)c2ccc(Cl)cc2)c1 O=[N+]([O-])c1ccc(s1)[*:1] CC(=O)N1N=C(O[C@H]1c1cccc(c1)NC(=O)c1ccc(Cl)cc1)[*:1]
CC(=O)N1N=C(c2ccc([N+](=O)[O-])s2)O[C@H]1c1cccc(NC(=O)c2ccc(Cl)cc2)c1 O=C(N[*:1])c1ccc(Cl)cc1 CC(=O)N1N=C(O[C@H]1c1cccc(c1)[*:1])c1ccc(s1)[N+](=O)[O-]
CC(=O)N1N=C(c2ccc([N+](=O)[O-])s2)O[C@H]1c1cccc(NC(=O)c2ccc(Cl)cc2)c1 O=[N+]([O-])[*:1] CC(=O)N1N=C(O[C@H]1c1cccc(c1)NC(=O)c1ccc(Cl)cc1)c1ccc(s1)[*:1]
CC(=O)N1N=C(c2ccc([N+](=O)[O-])s2)O[C@H]1c1cccc(NC(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC(=O)N1N=C(O[C@H]1c1cccc(c1)NC(=O)[*:1])c1ccc(s1)[N+](=O)[O-]
CCC[C@H]1CCC(=O)[C@@H]([C@@H]2CCCC[NH2+]2)C1 CCC[*:1] O=C1CC[C@@H](C[C@@H]1[C@@H]1CCCC[NH2+]1)[*:1]
O=C(NCc1ccco1)c1cc(C2CC2)n[nH]1 c1coc(c1)[*:1] O=C(NC[*:1])c1cc(n[nH]1)C1CC1
O=C(NCc1ccco1)c1cc(C2CC2)n[nH]1 C1CC1[*:1] O=C(NCc1ccco1)c1cc(n[nH]1)[*:1]
CSCC[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1nnc2ccccn12 CSC[*:1] O=C(N[C@@H](C[*:1])c1nnc2ccccn12)c1cc(Cl)nc(Cl)c1
CSCC[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1nnc2ccccn12 Clc1cc(cc(Cl)n1)[*:1] CSCC[C@H](NC(=O)[*:1])c1nnc2ccccn12
CSCC[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1nnc2ccccn12 CSCC[*:1] O=C(N[C@H](c1nnc2ccccn12)[*:1])c1cc(Cl)nc(Cl)c1
Cc1ccccc1NC(=O)CCSc1nnc(C(C)(C)C)n1-c1ccccc1 Cc1ccccc1[*:1] CC(C)(C)c1nnc(SCCC(=O)N[*:1])n1-c1ccccc1
Cc1ccccc1NC(=O)CCSc1nnc(C(C)(C)C)n1-c1ccccc1 CC(C)(C)[*:1] Cc1ccccc1NC(=O)CCSc1nnc(n1-c1ccccc1)[*:1]
Cc1ccccc1NC(=O)CCSc1nnc(C(C)(C)C)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CCSc1nnc(n1[*:1])C(C)(C)C
C[C@H](CNC(=O)N1CC[C@H](C)[C@H](O)C1)c1ccsc1 c1cc(cs1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NC[C@@H](C)[*:1]
Cc1ccc(CN2C(=O)[C@]3(SCCN3C(=O)c3ccc(C)cc3)c3cc(F)ccc32)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCS[C@]12C(=O)N(C[*:1])c1ccc(F)cc12
Cc1ccc(CN2C(=O)[C@]3(SCCN3C(=O)c3ccc(C)cc3)c3cc(F)ccc32)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)[C@]2(SCCN2C(=O)[*:1])c2cc(F)ccc21
Cc1ccc(CN2C(=O)[C@]3(SCCN3C(=O)c3ccc(C)cc3)c3cc(F)ccc32)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)N1CCS[C@]12C(=O)N(c1ccc(F)cc12)[*:1]
CC(C)(C)C(=O)NC[C@H]1CCCN(c2ncnc3nc(N)ccc23)C1 CC(C)(C)C(=O)N[*:1] Nc1ccc2c(ncnc2n1)N1CCC[C@@H](C1)C[*:1]
CC(C)(C)C(=O)NC[C@H]1CCCN(c2ncnc3nc(N)ccc23)C1 CC(C)(C)C(=O)NC[*:1] Nc1ccc2c(ncnc2n1)N1CCC[C@@H](C1)[*:1]
CC(C)(C)C(=O)NC[C@H]1CCCN(c2ncnc3nc(N)ccc23)C1 CC(C)(C)[*:1] Nc1ccc2c(ncnc2n1)N1CCC[C@H](CNC(=O)[*:1])C1
O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCOc1cccc2ccccc12 c1cc2OCOc2cc1[*:1] O=C(CNC(=O)[*:1])NCCOc1cccc2ccccc12
Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCCCC1 CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)N1CCCCC1
CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(C)cc1)S2 Cc1ccc(cc1)[*:1] CCc1nnc2S[C@H](C(=O)N[*:1])[C@@H](Nn12)c1ccc(cc1)OC
CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(C)cc1)S2 COc1ccc(cc1)[*:1] CCc1nnc2S[C@H](C(=O)Nc3ccc(C)cc3)[C@H](Nn12)[*:1]
O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn12)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CCc1c(nc2ccccn12)-c1ccc(F)cc1)N[*:1]
O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn12)Nc1ccc(F)c(F)c1 Fc1ccc(cc1)[*:1] O=C(CCc1c(nc2ccccn12)[*:1])Nc1ccc(F)c(F)c1
CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 CC(=O)[*:1] O=C(COC(=O)c1ccc(cc1)-c1ccccc1)Nc1ccccc1[*:1]
CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 CC(=O)c1ccccc1[*:1] O=C(COC(=O)c1ccc(cc1)-c1ccccc1)N[*:1]
CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(cc1)[*:1]
C[C@H](O)[C@H]1CCCN(C(=O)NCCSc2ccc(Cl)cc2)C1 C[C@H](O)[*:1] O=C(NCCSc1ccc(Cl)cc1)N1CCC[C@@H](C1)[*:1]
C[C@H](O)[C@H]1CCCN(C(=O)NCCSc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] C[C@H](O)[C@H]1CCCN(C1)C(=O)NCCS[*:1]
Cc1ccccc1C[NH+]1CCC(NC(=O)NOC2CCCC2)CC1 Cc1ccccc1[*:1] O=C(NOC1CCCC1)NC1CC[NH+](CC1)C[*:1]
Cc1ccccc1C[NH+]1CCC(NC(=O)NOC2CCCC2)CC1 Cc1ccccc1C[*:1] O=C(NOC1CCCC1)NC1CC[NH+](CC1)[*:1]
Cc1ccccc1C[NH+]1CCC(NC(=O)NOC2CCCC2)CC1 C1CCC(C1)[*:1] Cc1ccccc1C[NH+]1CCC(CC1)NC(=O)NO[*:1]
CN(CCOCC1CC1)C(=O)N1CCOC[C@@H]1C(=O)[O-] C1CC1[*:1] CN(CCOC[*:1])C(=O)N1CCOC[C@@H]1C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1CCOC[C@@H]1C(=O)[O-] C1CC1CO[*:1] CN(CC[*:1])C(=O)N1CCOC[C@@H]1C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1CCOC[C@@H]1C(=O)[O-] C1CC1COC[*:1] CN(C[*:1])C(=O)N1CCOC[C@@H]1C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1CCOC[C@@H]1C(=O)[O-] C1CC1C[*:1] CN(CCO[*:1])C(=O)N1CCOC[C@@H]1C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1CCOC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CN(CCOCC1CC1)C(=O)N1CCOC[C@H]1[*:1]
C/C(=N\NC(=O)c1ccccc1)c1cc2cc(Cl)ccc2oc1=O c1ccc(cc1)[*:1] C/C(=N\NC(=O)[*:1])c1cc2cc(Cl)ccc2oc1=O
O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C2CCOCC2)ccc1Br C1CC(CCO1)[*:1] O=[N+]([O-])c1cc(ccc1Br)C[NH2+]C[C@H](O)[*:1]
O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C2CCOCC2)ccc1Br O=[N+]([O-])[*:1] O[C@@H](C[NH2+]Cc1ccc(Br)c(c1)[*:1])C1CCOCC1
C[C@H]1CN(C(=O)Cc2csc(-c3ccccn3)n2)C(C)(C)CO1 c1ccc(nc1)[*:1] C[C@H]1CN(C(=O)Cc2csc(n2)[*:1])C(C)(C)CO1
C[C@H]1Oc2ccc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)cc2NC1=O c1ccc(cc1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)c1ccc2C(=O)O[C@@H](Cc2c1)[*:1]
Cc1cc2nc(SC[C@H]3CO3)[nH]c2cc1C C1O[C@H]1[*:1] Cc1cc2nc([nH]c2cc1C)SC[*:1]
Cc1cc2nc(SC[C@H]3CO3)[nH]c2cc1C C1O[C@H]1C[*:1] Cc1cc2nc([nH]c2cc1C)S[*:1]
Cc1cc2nc(SC[C@H]3CO3)[nH]c2cc1C C1O[C@H]1CS[*:1] Cc1cc2nc([nH]c2cc1C)[*:1]
COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(cc1)[*:1]
Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(nc(n1)N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O)N[*:1]
Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)n2)cc1 Cc1ccc(cc1)N[*:1] Cc1cc(nc(n1)N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O)[*:1]
Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)n2)cc1 O=c1oc2ccccc2cc1[*:1] Cc1ccc(cc1)Nc1cc(C)nc(n1)N1CCN(CC1)C(=O)[*:1]
CC[NH+](CC)CC#C[C@H](C)OC(=O)c1scnc1C Cc1ncsc1[*:1] CC[NH+](CC)CC#C[C@H](C)OC(=O)[*:1]
Cc1nc(-c2ccnnc2)n(-c2ccc(Cl)cc2)n1 c1cc(cnn1)[*:1] Cc1nc(n(n1)-c1ccc(Cl)cc1)[*:1]
O=[N+]([O-])c1ccccc1CNC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1CNC1(CC1)[*:1]
O=[N+]([O-])c1ccccc1CNC1(c2ccccc2)CC1 O=[N+]([O-])[*:1] c1ccc(cc1)C1(CC1)NCc1ccccc1[*:1]
O=C(CCc1ccccc1)NC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1 c1ccc(cc1)C[*:1] O=C(C[*:1])NC(=S)N1CCN(CC1)c1nc(cs1)-c1ccccc1
O=C(CCc1ccccc1)NC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1 c1ccc(cc1)[*:1] O=C(CCc1ccccc1)NC(=S)N1CCN(CC1)c1nc(cs1)[*:1]
O=C(CCc1ccccc1)NC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1 c1ccc(cc1)CC[*:1] O=C(NC(=S)N1CCN(CC1)c1nc(cs1)-c1ccccc1)[*:1]
O=C(CCc1ccccc1)NC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1 c1ccc(cc1)[*:1] O=C(CC[*:1])NC(=S)N1CCN(CC1)c1nc(cs1)-c1ccccc1
O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cc(-c2ccco2)n[nH]1 c1cn2cc(nc2s1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(n[nH]1)-c1ccco1
O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cc(-c2ccco2)n[nH]1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)-c1cn2ccsc2n1)c1cc(n[nH]1)[*:1]
CCC(CC)(NC(=O)N(C)C[C@@H]1C[C@H]1C)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)N(C)C[C@@H]1C[C@H]1C)[*:1]
CCC(CC)(NC(=O)N(C)C[C@@H]1C[C@H]1C)C(=O)[O-] C[C@@H]1C[C@H]1C[*:1] CCC(CC)(NC(=O)N(C)[*:1])C(=O)[O-]
CCC(CC)(NC(=O)N(C)C[C@@H]1C[C@H]1C)C(=O)[O-] C[C@@H]1C[C@H]1[*:1] CCC(CC)(NC(=O)N(C)C[*:1])C(=O)[O-]
C[C@H](CNS(=O)(=O)c1ccccc1Cl)N1CC[NH+](C)CC1 Clc1ccccc1[*:1] C[C@H](CNS(=O)(=O)[*:1])N1CC[NH+](C)CC1
C[NH2+][C@@]1(C(=O)[O-])C=CC=C(c2ccccc2)C1 O=C([O-])[*:1] C[NH2+][C@]1(C=CC=C(C1)c1ccccc1)[*:1]
COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccc1)N1N=C(C[C@H]1c1ccccc1)[*:1]
COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)c1ccccc1)[*:1]
COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@@H](c2ccccc2)N(N=1)C(=O)[*:1]
CC[NH+]1CCN(c2ncnc(N(CCC#N)CCC#N)c2N)CC1 N#CC[*:1] CC[NH+]1CCN(CC1)c1ncnc(c1N)N(CCC#N)C[*:1]
CC[NH+]1CCN(c2ncnc(N(CCC#N)CCC#N)c2N)CC1 N#CCC[*:1] CC[NH+]1CCN(CC1)c1ncnc(c1N)N(CCC#N)[*:1]
CNC(=O)c1cc(NC(=O)c2cccc(OC)c2F)ccc1F CNC(=O)[*:1] COc1cccc(C(=O)Nc2ccc(F)c(c2)[*:1])c1F
O=C(Nc1cccc(Cl)c1F)c1cccc(OC[C@@H]2CCCO2)c1 Fc1c(Cl)cccc1[*:1] O=C(N[*:1])c1cccc(c1)OC[C@@H]1CCCO1
O=C(Nc1cccc(Cl)c1F)c1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] O=C(Nc1cccc(Cl)c1F)c1cccc(c1)[*:1]
COC[C@@H](O)CNC(=O)N[C@@H](c1nccs1)C1CC1 c1csc(n1)[*:1] COC[C@@H](O)CNC(=O)N[C@@H](C1CC1)[*:1]
COC[C@@H](O)CNC(=O)N[C@@H](c1nccs1)C1CC1 C1CC1[*:1] COC[C@@H](O)CNC(=O)N[C@@H](c1nccs1)[*:1]
COC[C@@H](O)CNC(=O)N[C@@H](c1nccs1)C1CC1 COC[*:1] O=C(NC[C@H](O)[*:1])N[C@@H](c1nccs1)C1CC1
COC[C@@H](O)CNC(=O)N[C@@H](c1nccs1)C1CC1 COC[C@@H](O)C[*:1] O=C(N[C@@H](c1nccs1)C1CC1)N[*:1]
COC[C@@H](O)CNC(=O)N[C@@H](c1nccs1)C1CC1 COC[C@@H](O)[*:1] O=C(NC[*:1])N[C@@H](c1nccs1)C1CC1
COc1ccc(-c2nc(CC(=O)NCCC(=O)N3CCCC3)cs2)cc1 O=C(N1CCCC1)[*:1] COc1ccc(cc1)-c1nc(cs1)CC(=O)NCC[*:1]
COc1ccc(-c2nc(CC(=O)NCCC(=O)N3CCCC3)cs2)cc1 O=C(C[*:1])N1CCCC1 COc1ccc(cc1)-c1nc(cs1)CC(=O)NC[*:1]
COc1ccc(-c2nc(CC(=O)NCCC(=O)N3CCCC3)cs2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])NCCC(=O)N1CCCC1
Cc1cccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)C[*:1] Cc1cccc(c1)C(=O)N1CCC(CC1)O[*:1]
Cc1cccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CCC(CC1)OC[*:1]
Cc1cccc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
COc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)NC(=O)N1CC[NH+](CC1)[*:1]
CCC[C@@H]1CN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CCO1 Cc1nnnn1[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@@H](Cc1cccc(F)c1)[*:1]
CCC[C@@H]1CN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CCO1 CCC[*:1] Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CCO1 Fc1cccc(c1)C[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@@H](n1nnnc1C)[*:1]
CCC[C@@H]1CN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CCO1 Fc1cccc(c1)[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@@H](C[*:1])n1nnnc1C
CCCn1cc[nH+]c1C[C@]1(O)CCC[C@H](CC)C1 CCC[*:1] CC[C@H]1CCC[C@@](O)(Cc2[nH+]ccn2[*:1])C1
CCOc1ccc2ccccc2c1/C=C(/C#N)c1nc2ccccc2[nH]1 CCO[*:1] N#C/C(=C/c1c(ccc2ccccc12)[*:1])c1nc2ccccc2[nH]1
CCOc1ccc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] CCOc1ccc(cc1[*:1])NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2
CCOc1ccc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 CCO[*:1] O=C(Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)[*:1])[C@H]1C[C@@H]2C=C[C@H]1C2
Cc1noc(C)c1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] Cc1noc(C)c1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)cc1[*:1])c1ccccc1
Cc1noc(C)c1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 Cc1noc(C)c1C(=O)O[*:1] O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](c1ccccc1)[*:1]
Cc1noc(C)c1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 Cc1noc(C)c1[*:1] O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](OC(=O)[*:1])c1ccccc1
Cc1noc(C)c1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 c1cc2OCCOc2cc1[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc2OCCOc2c1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)C1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1[*:1]
CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(OC)cc1 CCOC(=O)[*:1] CC[C@H]1SC2=NC(C)=C([C@@H](c3ccc(cc3)OC)N2C1=O)[*:1]
C[C@@H]1CN(C(=O)Cc2cc(F)ccc2F)c2cc(F)ccc2C(=O)N1 Fc1ccc(F)c(c1)[*:1] C[C@@H]1CN(C(=O)C[*:1])c2cc(F)ccc2C(=O)N1
CCC1CCC(NC(=O)NCc2ccnn2C)CC1 Cn1nccc1[*:1] CCC1CCC(CC1)NC(=O)NC[*:1]
Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 c1cc2ccc(cc2[nH]1)[*:1] Cc1ccccc1-c1cnc(nc1[C@@H]1CCCN(C1)C(=O)[*:1])-c1ccncc1
Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 c1cc(ccn1)[*:1] Cc1ccccc1-c1cnc(nc1[C@@H]1CCCN(C1)C(=O)c1ccc2cc[nH]c2c1)[*:1]
Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 Cc1ccccc1[*:1] O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H](C1)c1nc(ncc1[*:1])-c1ccncc1
O=C(Nc1nonc1-c1ccccc1)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 c1ccc(cc1)[*:1] O=C(Nc1nonc1[*:1])c1nn(c2CCCCc12)[C@H]1CCS(=O)(=O)C1
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)NNc1cccnn1 c1cnnc(c1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)NN[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)NNc1cccnn1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])NNc1cccnn1
NC(=O)c1cc(-n2cnc3ccccc32)cs1 NC(=O)[*:1] c1ccc2c(c1)ncn2-c1csc(c1)[*:1]
O=C(Nc1cccc(-n2cnnc2)c1)C1=NN=C(c2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(Nc1cccc(c1)-n1cnnc1)C1CC(=NN=1)[*:1]
O=C(Nc1cccc(-n2cnnc2)c1)C1=NN=C(c2ccccc2Cl)C1 c1nncn1[*:1] O=C(Nc1cccc(c1)[*:1])C1CC(=NN=1)c1ccccc1Cl
CCc1ccc(N[C@@H]2CC(=O)N(CCCOC)C2=O)cc1 COCC[*:1] CCc1ccc(cc1)N[C@@H]1CC(=O)N(C[*:1])C1=O
CCc1ccc(N[C@@H]2CC(=O)N(CCCOC)C2=O)cc1 COCCC[*:1] CCc1ccc(cc1)N[C@@H]1CC(=O)N(C1=O)[*:1]
CCc1ccc(N[C@@H]2CC(=O)N(CCCOC)C2=O)cc1 COC[*:1] CCc1ccc(cc1)N[C@@H]1CC(=O)N(CC[*:1])C1=O
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 CC[C@@H](C)[*:1] C[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[*:1])N1CC[NH+](C)CC1
CN(CCC#N)Cc1cccc(C(N)=O)c1 N#CC[*:1] CN(Cc1cccc(c1)C(N)=O)C[*:1]
CN(CCC#N)Cc1cccc(C(N)=O)c1 N#CCC[*:1] CN(Cc1cccc(c1)C(N)=O)[*:1]
CN(CCC#N)Cc1cccc(C(N)=O)c1 NC(=O)[*:1] CN(CCC#N)Cc1cccc(c1)[*:1]
Cc1[nH]ncc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 Cc1[nH]ncc1[*:1] O=C(NCCc1c[nH]c2ccc(Cl)cc12)[*:1]
Cc1nc(CC2(C[NH2+]C(C)(C)C)CCC2)sc1C CC(C)(C)[*:1] Cc1nc(CC2(CCC2)C[NH2+][*:1])sc1C
C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C=CCn1c(N)cc(=O)nc1SCC(=O)N[*:1]
C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 C=CC[*:1] Nc1cc(=O)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1[*:1]
CN([C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CN([C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@H](C1)[*:1]
CCC(C)(C)NC(=O)c1ccc(NC(=O)CNC(=O)NC)cc1 CNC(=O)N[*:1] CCC(C)(C)NC(=O)c1ccc(cc1)NC(=O)C[*:1]
CCC(C)(C)NC(=O)c1ccc(NC(=O)CNC(=O)NC)cc1 CNC(=O)NC[*:1] CCC(C)(C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CCC(C)(C)NC(=O)c1ccc(NC(=O)CNC(=O)NC)cc1 CCC(C)(C)[*:1] CNC(=O)NCC(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@H](NCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](NCc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1[C@H]1CCCOC1 C1COC[C@H](C1)[*:1] C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1[*:1]
C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1[C@H]1CCCOC1 C[C@H](Cl)[*:1] Clc1cc2nc(n(c2cc1Cl)[C@H]1CCCOC1)[*:1]
C[C@H](S[C@H](C)[C@H](C)O)C(=O)N1CCC[C@H](C(N)=O)C1 NC(=O)[*:1] C[C@H](S[C@H](C)[C@H](C)O)C(=O)N1CCC[C@H](C1)[*:1]
C[C@H](S[C@H](C)[C@H](C)O)C(=O)N1CCC[C@H](C(N)=O)C1 C[C@H](O)[*:1] C[C@H](S[C@H](C)[*:1])C(=O)N1CCC[C@@H](C1)C(N)=O
CCC(CC)[C@@H](O)[C@@]1(C[NH3+])CCCc2ccccc21 CCC(CC)[*:1] [NH3+]C[C@@]1(CCCc2ccccc21)[C@H](O)[*:1]
CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Br)cc2)cc1 Brc1ccccc1[*:1] CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Br)cc2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccccc1Br
CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Br)cc2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)NC(=O)c1ccccc1Br)c1ccc(cc1)[*:1]
CC(C)(C)C1=N/C(=C\c2cccc3c2OCCCO3)C(=O)O1 CC(C)(C)[*:1] O=C1OC(=N/C1=C\c1cccc2OCCCOc12)[*:1]
COc1ccc(C(=O)Nc2ccc3c(C(C)(C)C)cc(=O)[nH]c3c2)c(OC)c1 CC(C)(C)[*:1] COc1ccc(C(=O)Nc2ccc3c(cc(=O)[nH]c3c2)[*:1])c(c1)OC
Cc1cc(C(=O)CS[C@H](C)C(C)C)c(C)n1[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] Cc1cc(C(=O)CS[C@H](C)C(C)C)c(C)n1[*:1]
Cc1cc(C(=O)CS[C@H](C)C(C)C)c(C)n1[C@@H]1CCS(=O)(=O)C1 CC(C)[C@@H](C)SC[*:1] Cc1cc(C(=O)[*:1])c(C)n1[C@@H]1CCS(=O)(=O)C1
Cc1cc(C(=O)CS[C@H](C)C(C)C)c(C)n1[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] Cc1cc(C(=O)CS[C@H](C)[*:1])c(C)n1[C@@H]1CCS(=O)(=O)C1
Cc1cc(C(=O)CS[C@H](C)C(C)C)c(C)n1[C@@H]1CCS(=O)(=O)C1 CC(C)[C@@H](C)[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1[C@@H]1CCS(=O)(=O)C1
Cc1cc(C(=O)CS[C@H](C)C(C)C)c(C)n1[C@@H]1CCS(=O)(=O)C1 CC(C)[C@@H](C)S[*:1] Cc1cc(C(=O)C[*:1])c(C)n1[C@@H]1CCS(=O)(=O)C1
Cc1nc(NC(=O)c2ccc(C[NH+](C)Cc3ccno3)cc2)nn1C c1cc(on1)[*:1] Cc1nc(nn1C)NC(=O)c1ccc(cc1)C[NH+](C)C[*:1]
Cc1nc(NC(=O)c2ccc(C[NH+](C)Cc3ccno3)cc2)nn1C Cc1nc(nn1C)[*:1] C[NH+](Cc1ccc(cc1)C(=O)N[*:1])Cc1ccno1
COC(=O)c1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] COC(=O)c1ccccc1NC(=O)N1CCC[C@@H]1[*:1]
COC(=O)c1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2s1 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@H]1c1nc2ccccc2s1
Br[C@H]1c2ccccc2CCC[C@H]1Cc1nccs1 c1csc(C[*:1])n1 Br[C@H]1c2ccccc2CCC[C@@H]1[*:1]
Br[C@H]1c2ccccc2CCC[C@H]1Cc1nccs1 c1csc(n1)[*:1] Br[C@H]1c2ccccc2CCC[C@H]1C[*:1]
C[C@H](C(=O)Nc1cc2c(cc1Cl)OCO2)n1cccc1 c1ccn(c1)[*:1] C[C@H](C(=O)Nc1cc2OCOc2cc1Cl)[*:1]
CCN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])C(F)(F)F)C1CC1 O=C([O-])[*:1] CCN(C(=O)C[NH2+][C@@](C)(C(F)(F)F)[*:1])C1CC1
CCN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])C(F)(F)F)C1CC1 FC(F)(F)[*:1] CCN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])[*:1])C1CC1
CCN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])C(F)(F)F)C1CC1 C1CC1[*:1] CCN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])C(F)(F)F)[*:1]
C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1nc(C2CCCCC2)no1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@H](O)[*:1])c1nc(no1)C1CCCCC1
C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1nc(C2CCCCC2)no1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1nc(no1)[*:1]
C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1nc(C2CCCCC2)no1 O[C@H](c1ccccc1)[*:1] C[C@@H](NC(=O)[*:1])c1nc(no1)C1CCCCC1
CSc1ccc(CN(C)c2ccc([N+](=O)[O-])nc2)cc1 O=[N+]([O-])[*:1] CSc1ccc(cc1)CN(C)c1ccc(nc1)[*:1]
CSCCOC(=O)c1ccnc(Cl)c1 CSCC[*:1] O=C(O[*:1])c1ccnc(Cl)c1
CSCCOC(=O)c1ccnc(Cl)c1 CSC[*:1] O=C(OC[*:1])c1ccnc(Cl)c1
O=C(NCC[NH+](Cc1ccco1)C1CCCC1)c1cc2c(s1)-c1ccccc1OC2 c1coc(c1)C[*:1] O=C(NCC[NH+](C1CCCC1)[*:1])c1cc2COc3ccccc3-c2s1
O=C(NCC[NH+](Cc1ccco1)C1CCCC1)c1cc2c(s1)-c1ccccc1OC2 c1coc(c1)[*:1] O=C(NCC[NH+](C[*:1])C1CCCC1)c1cc2COc3ccccc3-c2s1
Cc1ccc(CN(C(=O)c2sc(-c3ncccn3)nc2C)C(C)C)o1 Cc1ccc(o1)[*:1] Cc1nc(sc1C(=O)N(C[*:1])C(C)C)-c1ncccn1
Cc1ccc(CN(C(=O)c2sc(-c3ncccn3)nc2C)C(C)C)o1 CC(C)[*:1] Cc1ccc(CN(C(=O)c2sc(nc2C)-c2ncccn2)[*:1])o1
Cc1ccc(CN(C(=O)c2sc(-c3ncccn3)nc2C)C(C)C)o1 c1cnc(nc1)[*:1] Cc1ccc(CN(C(=O)c2sc(nc2C)[*:1])C(C)C)o1
Cc1ccc(CN(C(=O)c2sc(-c3ncccn3)nc2C)C(C)C)o1 Cc1ccc(C[*:1])o1 Cc1nc(sc1C(=O)N(C(C)C)[*:1])-c1ncccn1
ClCC[C@H]1CCCN(c2ccc3nnnn3n2)C1 ClCC[*:1] c1cc2nnnn2nc1N1CCC[C@@H](C1)[*:1]
Cc1ccc2cccc(OS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2n1 FC(F)(F)[*:1] Cc1ccc2cccc(OS(=O)(=O)c3ccc(cc3)[*:1])c2n1
Clc1ccc(CCNc2c3c(nc4ncnn24)CCC3)cc1 Clc1ccc(cc1)[*:1] c1nc2nc3CCCc3c(NCC[*:1])n2n1
C=C(Cl)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 C=C(Cl)C[*:1] O=c1[nH]c(nc2c1cnn2-c1ccccc1)S[*:1]
C=C(Cl)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 C=C(Cl)[*:1] O=c1[nH]c(nc2c1cnn2-c1ccccc1)SC[*:1]
C=C(Cl)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] C=C(Cl)CSc1nc2c(cnn2[*:1])c(=O)[nH]1
C=C(Cl)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 C=C(Cl)CS[*:1] O=c1[nH]c(nc2c1cnn2-c1ccccc1)[*:1]
COc1ccc(CCNC(C)=O)cc1S(=O)(=O)N1C[C@H]2CCCC[C@H]2C1 CC(=O)N[*:1] COc1ccc(cc1S(=O)(=O)N1C[C@H]2CCCC[C@H]2C1)CC[*:1]
COc1ccc(CCNC(C)=O)cc1S(=O)(=O)N1C[C@H]2CCCC[C@H]2C1 CC(=O)NCC[*:1] COc1ccc(cc1S(=O)(=O)N1C[C@H]2CCCC[C@H]2C1)[*:1]
COc1ccc(CCNC(C)=O)cc1S(=O)(=O)N1C[C@H]2CCCC[C@H]2C1 CC(=O)NC[*:1] COc1ccc(cc1S(=O)(=O)N1C[C@H]2CCCC[C@H]2C1)C[*:1]
O=C(Cl)CNS(=O)(=O)c1ccccc1 O=C(Cl)[*:1] O=S(=O)(NC[*:1])c1ccccc1
O=C(Cl)CNS(=O)(=O)c1ccccc1 O=C(Cl)C[*:1] O=S(=O)(N[*:1])c1ccccc1
C[C@@H](Cc1nc2ccccc2s1)N[C@H](C)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] C[C@@H](Cc1nc2ccccc2s1)N[C@H](C)c1cn(nn1)[*:1]
C[C@@H]1CCCN(c2nc3ccccc3c(N3CCOCC3)[nH+]2)C1 C1CN(CCO1)[*:1] C[C@@H]1CCCN(C1)c1nc2ccccc2c([nH+]1)[*:1]
CCOC(=O)[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 CCOC(=O)[*:1] O=C(OCC1c2ccccc2-c2ccccc21)N1CCCC[C@@H]1[*:1]
O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)N[*:1]
COc1cc(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)ccc1O c1ccc(nc1)[*:1] COc1cc(ccc1O)CC[NH2+][C@H]1CCN(C[C@@H]1C)C[*:1]
COc1cc(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)ccc1O c1ccc(C[*:1])nc1 COc1cc(ccc1O)CC[NH2+][C@H]1CCN(C[C@@H]1C)[*:1]
Cn1cc[nH+]c1C[C@]1(O)CCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] Cn1cc[nH+]c1C[C@]1(O)CCC[C@@H]1[*:1]
C#CCN1CCN(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 O=C(N1CCCCC1)[*:1] C#CCN1CCN(CC1)C(=O)NCc1ccc(cc1)[*:1]
C#CCN1CCN(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 C#CC[*:1] O=C(NCc1ccc(cc1)C(=O)N1CCCCC1)N1CCN(CC1)[*:1]
O=C1c2ccccc2S(=O)(=O)N1CNc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1c2ccccc2S(=O)(=O)N1CNc1cccc(c1)[*:1]
CCOC(=O)c1ccc(NC(=O)Cc2cccc(F)c2)cc1 CCOC(=O)[*:1] O=C(Cc1cccc(F)c1)Nc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(NC(=O)Cc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)C[*:1]
Ic1ccccc1OCc1nnc(-c2cccs2)o1 c1csc(c1)[*:1] Ic1ccccc1OCc1nnc(o1)[*:1]
CC[C@@H](C)[C@H](C[NH3+])c1c(Cl)cccc1Cl CC[C@@H](C)[*:1] [NH3+]C[C@H](c1c(Cl)cccc1Cl)[*:1]
CCN(CCc1nccs1)Cc1cnc(N2CCOCC2)nc1 c1csc(n1)[*:1] CCN(CC[*:1])Cc1cnc(nc1)N1CCOCC1
CCN(CCc1nccs1)Cc1cnc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] CCN(CCc1nccs1)Cc1cnc(nc1)[*:1]
CCN(CCc1nccs1)Cc1cnc(N2CCOCC2)nc1 c1csc(C[*:1])n1 CCN(Cc1cnc(nc1)N1CCOCC1)C[*:1]
CCN(CCc1nccs1)Cc1cnc(N2CCOCC2)nc1 c1csc(CC[*:1])n1 CCN(Cc1cnc(nc1)N1CCOCC1)[*:1]
COc1cccc([C@@H](CNS(=O)(=O)c2ccc(Br)s2)[NH+](C)C)c1 Brc1ccc(s1)[*:1] COc1cccc(c1)[C@@H](CNS(=O)(=O)[*:1])[NH+](C)C
CC(=O)NCCNC(=O)N1CC[NH+](C2CCCC2)CC1 CC(=O)NCC[*:1] O=C(N[*:1])N1CC[NH+](CC1)C1CCCC1
CC(=O)NCCNC(=O)N1CC[NH+](C2CCCC2)CC1 CC(=O)N[*:1] O=C(NCC[*:1])N1CC[NH+](CC1)C1CCCC1
CC(=O)NCCNC(=O)N1CC[NH+](C2CCCC2)CC1 CC(=O)NC[*:1] O=C(NC[*:1])N1CC[NH+](CC1)C1CCCC1
CC(=O)NCCNC(=O)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] CC(=O)NCCNC(=O)N1CC[NH+](CC1)[*:1]
CCC(=O)N1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)CC1 FC(F)(F)[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@@H](c1ccc(cc1)[*:1])C(C)C
CCC(=O)N1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)CC1 CC(C)[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@@H](c1ccc(cc1)C(F)(F)F)[*:1]
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccccc1CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccccc1[*:1]
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccccc1CN1CCOCC1 c1ccc2oc(cc2c1)[*:1] C[C@@H](N(C)C(=O)NCc1ccccc1CN1CCOCC1)[*:1]
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccccc1CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccccc1C[*:1]
Cl[C@H](Cc1ccc2ccccc2n1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cl[C@H](Cc1ccc2ccccc2n1)[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncc(C(N)=O)s3)cc2)C[C@@H](C)O1 NC(=O)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ncc(s1)[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncc(C(N)=O)s3)cc2)C[C@@H](C)O1 NC(=O)c1cnc(s1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
C#Cc1cccc(NC(=O)N2CCC[C@H](n3cc(C(=O)OCC)cn3)C2)c1 CCOC(=O)[*:1] C#Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
C#Cc1cccc(NC(=O)N2CCC[C@H](n3cc(C(=O)OCC)cn3)C2)c1 C#Cc1cccc(c1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(CCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCCCC[*:1]
CCC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC O=[N+]([O-])[*:1] CCC[C@H](/N=C/c1cc(ccc1[O-])[*:1])C(=O)OC
CCC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC COC(=O)[*:1] CCC[C@H](/N=C/c1cc(ccc1[O-])[N+](=O)[O-])[*:1]
CCC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC CCC[*:1] COC(=O)[C@@H](/N=C/c1cc(ccc1[O-])[N+](=O)[O-])[*:1]
CCOC(=O)CCC(=O)c1cccc(F)c1F CCOC(=O)[*:1] O=C(CC[*:1])c1cccc(F)c1F
C[C@@H](O)C[C@@H](CNC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1 C[C@@H](O)[*:1] O=C(NC[C@H](C[*:1])c1ccccc1)c1ccc(cc1)-n1ccnn1
C[C@@H](O)C[C@@H](CNC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](O)C[C@@H](CNC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
C[C@@H](O)C[C@@H](CNC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1 C[C@@H](O)C[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])c1ccc(cc1)-n1ccnn1
C[C@@H](O)C[C@@H](CNC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1 c1cn(nn1)[*:1] C[C@@H](O)C[C@@H](CNC(=O)c1ccc(cc1)[*:1])c1ccccc1
CC[C@@H](C)c1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1 Clc1cnn(c1)C[*:1] CC[C@@H](C)c1ccc(cc1)NC(=O)c1ccc(o1)[*:1]
CC[C@@H](C)c1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1 Clc1cnn(c1)[*:1] CC[C@@H](C)c1ccc(cc1)NC(=O)c1ccc(C[*:1])o1
CC[C@@H](C)c1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1 CC[C@@H](C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cn2cc(Cl)cn2)o1
C[C@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2cccc(F)c2)C1=O FC(F)O[*:1] C[C@]1(CCc2ccc(cc2)[*:1])NC(=O)N(Cc2cccc(F)c2)C1=O
C[C@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2cccc(F)c2)C1=O Fc1cccc(c1)[*:1] C[C@]1(CCc2ccc(cc2)OC(F)F)NC(=O)N(C[*:1])C1=O
C[C@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2cccc(F)c2)C1=O Fc1cccc(c1)C[*:1] C[C@]1(CCc2ccc(cc2)OC(F)F)NC(=O)N(C1=O)[*:1]
C[C@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(Cc2cccc(F)c2)C1=O FC(F)[*:1] C[C@]1(CCc2ccc(cc2)O[*:1])NC(=O)N(Cc2cccc(F)c2)C1=O
C[C@H]1CCC[C@@H](C)N1C(=O)NCc1ccnc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)NCc1ccnc(c1)[*:1]
COc1ccc(F)cc1NC(=O)[C@H](OC(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)[C@H](OC(C)(C)C)[*:1]
COc1ccc(F)cc1NC(=O)[C@H](OC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] COc1ccc(F)cc1NC(=O)[C@H](O[*:1])c1ccccc1
COc1ccc(F)cc1NC(=O)[C@H](OC(C)(C)C)c1ccccc1 CC(C)(C)O[*:1] COc1ccc(F)cc1NC(=O)[C@H](c1ccccc1)[*:1]
O=C(CCC(=O)c1cccs1)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(CCC(=O)c1cccs1)N[C@H]1CCCC[C@@H]1O[*:1]
O=C(CCC(=O)c1cccs1)N[C@H]1CCCC[C@@H]1OC1CCCC1 O=C(C[*:1])c1cccs1 O=C(C[*:1])N[C@H]1CCCC[C@@H]1OC1CCCC1
O=C(CCC(=O)c1cccs1)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(CCC(=O)c1cccs1)N[C@H]1CCCC[C@H]1[*:1]
O=C(CCC(=O)c1cccs1)N[C@H]1CCCC[C@@H]1OC1CCCC1 c1csc(c1)[*:1] O=C(CCC(=O)[*:1])N[C@H]1CCCC[C@@H]1OC1CCCC1
O=C(CCC(=O)c1cccs1)N[C@H]1CCCC[C@@H]1OC1CCCC1 O=C(c1cccs1)[*:1] O=C(CC[*:1])N[C@H]1CCCC[C@@H]1OC1CCCC1
COC(=O)C[NH+]1CCCN(Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)C[NH+]1CCCN(CC1)Cc1c(C#N)c(C)nn1[*:1]
COC(=O)C[NH+]1CCCN(Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 COC(=O)C[*:1] Cc1nn(-c2ccccc2)c(CN2CCC[NH+](CC2)[*:1])c1C#N
COC(=O)C[NH+]1CCCN(Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 COC(=O)[*:1] Cc1nn(-c2ccccc2)c(CN2CCC[NH+](CC2)C[*:1])c1C#N
C[C@H]1CSCCN1C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] C[C@H]1CSCCN1C(=O)[C@](C)(N)[*:1]
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 O=S(=O)(c1ccc(Cl)cc1)[*:1] O=C(CC[*:1])Nc1nnc(o1)-c1ccc2CCCCc2c1
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 c1cc2CCCCc2cc1[*:1] O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(o1)[*:1]
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 Clc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1nnc(o1)-c1ccc2CCCCc2c1
C[C@H](Cl)c1nc2cnccc2n1CC[NH+](C)C C[C@H](Cl)[*:1] C[NH+](C)CCn1c(nc2cnccc21)[*:1]
COc1ccc([C@H](C#N)N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1 Cc1ccc(cn1)[*:1] COc1ccc(cc1)[C@H](C#N)N1CCN(CC1)C(=O)[*:1]
COc1ccc([C@H](C#N)N2CCN(C(=O)c3ccc(C)nc3)CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cn1)C(=O)N1CCN(CC1)[C@@H](C#N)[*:1]
CCSC[C@@H](C)N(C)C(=O)CCn1cc(C)cn1 CCSC[*:1] Cc1cnn(c1)CCC(=O)N(C)[C@H](C)[*:1]
CCSC[C@@H](C)N(C)C(=O)CCn1cc(C)cn1 Cc1cnn(c1)[*:1] CCSC[C@@H](C)N(C)C(=O)CC[*:1]
CCSC[C@@H](C)N(C)C(=O)CCn1cc(C)cn1 CCS[*:1] Cc1cnn(c1)CCC(=O)N(C)[C@H](C)C[*:1]
Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)c12 C1CN(CCO1)[*:1] Cc1nn(C)c2nc(cc(C(=O)NCc3ccc([nH+]c3)[*:1])c12)-c1ccco1
Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)c12 c1coc(c1)[*:1] Cc1nn(C)c2nc(cc(C(=O)NCc3ccc([nH+]c3)N3CCOCC3)c12)[*:1]
CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3nnc(-c4ccccc4OC)n3N)ccc21 COc1ccccc1[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)[C@H](C)Sc1nnc(n1N)[*:1]
COC(=O)C[C@H]1SC(=O)N(CNc2ccc([N+](=O)[O-])cc2)C1=O COC(=O)C[*:1] O=C1S[C@@H](C(=O)N1CNc1ccc(cc1)[N+](=O)[O-])[*:1]
COC(=O)C[C@H]1SC(=O)N(CNc2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] COC(=O)C[C@H]1SC(=O)N(CNc2ccc(cc2)[*:1])C1=O
COC(=O)C[C@H]1SC(=O)N(CNc2ccc([N+](=O)[O-])cc2)C1=O COC(=O)[*:1] O=C1S[C@H](C[*:1])C(=O)N1CNc1ccc(cc1)[N+](=O)[O-]
Cc1ccnc([C@@H]2CCCN2c2cnccn2)n1 c1cnc(cn1)[*:1] Cc1ccnc(n1)[C@@H]1CCCN1[*:1]
Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 Clc1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)Cn1nnc(n1)-c1ccc(F)cc1)[*:1]
Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)Cn1nnc(n1)[*:1])-c1ccc(Cl)cc1
CCCc1noc(C)c1C(=O)[O-] CCC[*:1] Cc1onc(c1C(=O)[O-])[*:1]
CCCc1noc(C)c1C(=O)[O-] O=C([O-])[*:1] CCCc1noc(C)c1[*:1]
CC(C)(C)N1C[C@@H](NC(=O)N2CCN(C(=O)C3CCCC3)CC2)CC1=O CC(C)(C)[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)C(=O)C1CCCC1
CC(C)(C)N1C[C@@H](NC(=O)N2CCN(C(=O)C3CCCC3)CC2)CC1=O C1CCC(C1)[*:1] CC(C)(C)N1C[C@H](CC1=O)NC(=O)N1CCN(CC1)C(=O)[*:1]
C[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](C)Cc1ccsc1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)N(C)[C@H](C)Cc1ccsc1)[*:1]
C[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](C)Cc1ccsc1 c1ccc(cc1)[*:1] C[C@@H](C[*:1])C(=O)N(C)[C@H](C)Cc1ccsc1
C[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](C)Cc1ccsc1 c1cc(cs1)C[*:1] C[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](C)[*:1]
C[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](C)Cc1ccsc1 c1cc(cs1)[*:1] C[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](C)C[*:1]
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(C)=O CC(=O)O[*:1] COc1cc(/C=N/NC(=O)c2cccnc2)ccc1[*:1]
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(C)=O c1cncc(c1)[*:1] COc1cc(/C=N/NC(=O)[*:1])ccc1OC(C)=O
O=C(CCN1CCSC1=O)Nc1ccc2c(c1)OCCCO2 O=C1SCCN1C[*:1] O=C(C[*:1])Nc1ccc2OCCCOc2c1
O=C(CCN1CCSC1=O)Nc1ccc2c(c1)OCCCO2 O=C1SCCN1[*:1] O=C(CC[*:1])Nc1ccc2OCCCOc2c1
NC(=O)NC1CC[NH+](Cc2cccc(-c3ccccc3F)c2)CC1 Fc1ccccc1[*:1] NC(=O)NC1CC[NH+](CC1)Cc1cccc(c1)[*:1]
NC(=O)NC1CC[NH+](Cc2cccc(-c3ccccc3F)c2)CC1 NC(=O)N[*:1] Fc1ccccc1-c1cccc(c1)C[NH+]1CCC(CC1)[*:1]
CCC(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCC(=O)Nc1ccccc1[*:1]
CCOC(=O)N1CCC(OC(=O)c2cn(C)nc2C(C)(C)C)CC1 CC(C)(C)[*:1] CCOC(=O)N1CCC(CC1)OC(=O)c1cn(C)nc1[*:1]
CC(=O)c1ccc(NC(=O)c2cccc3c2OCC(=O)N3)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1cccc2NC(=O)COc21
CC[C@@H](C)n1ncc(C(=O)N2CC[C@]3(CCOC3)C2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N2CC[C@]3(CCOC3)C2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CC[C@]3(CCOC3)C2)c1C1CC1 CC[C@@H](C)[*:1] O=C(c1cnn(c1C1CC1)[*:1])N1CC[C@]2(CCOC2)C1
CN(CCOCC1CC1)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1C[*:1] CN(CCO[*:1])C(=O)c1nc(C2CC2)n2ccccc12
CN(CCOCC1CC1)C(=O)c1nc(C2CC2)n2ccccc12 C(C[*:1])OCC1CC1 CN(C(=O)c1nc(C2CC2)n2ccccc12)[*:1]
CN(CCOCC1CC1)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1COC[*:1] CN(C[*:1])C(=O)c1nc(C2CC2)n2ccccc12
CN(CCOCC1CC1)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] CN(CCOCC1CC1)C(=O)c1nc(n2ccccc12)[*:1]
CN(CCOCC1CC1)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] CN(CCOC[*:1])C(=O)c1nc(C2CC2)n2ccccc12
CN(CCOCC1CC1)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1CO[*:1] CN(CC[*:1])C(=O)c1nc(C2CC2)n2ccccc12
N#CCCSc1ccccc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 N#CCCS[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)C(=O)c1ccccc1
N#CCCSc1ccccc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 N#CCC[*:1] O=C(Nc1ccccc1S[*:1])c1ccc(cc1)C(=O)c1ccccc1
N#CCCSc1ccccc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 N#CC[*:1] O=C(Nc1ccccc1SC[*:1])c1ccc(cc1)C(=O)c1ccccc1
N#CCCSc1ccccc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] N#CCCSc1ccccc1NC(=O)c1ccc(cc1)[*:1]
N#CCCSc1ccccc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#CCCSc1ccccc1NC(=O)c1ccc(cc1)C(=O)[*:1]
CSc1nnc2c(n1)O[C@H](c1cc(F)ccc1F)N(C(C)=O)c1ccc(Cl)cc1-2 Fc1ccc(F)c(c1)[*:1] CSc1nnc2-c3cc(Cl)ccc3N(C(C)=O)[C@@H](Oc2n1)[*:1]
CCOC(=O)NCCC(=O)Nc1cccc(Cl)c1O CCOC(=O)N[*:1] O=C(CC[*:1])Nc1cccc(Cl)c1O
COCc1cc(NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)nc(C(C)(C)C)n1 CN(C)C(=O)[*:1] COCc1cc(nc(n1)C(C)(C)C)NC[C@H]1CC[C@@H](O1)[*:1]
COCc1cc(NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)nc(C(C)(C)C)n1 CC(C)(C)[*:1] COCc1cc(nc(n1)[*:1])NC[C@H]1CC[C@H](O1)C(=O)N(C)C
COCc1cc(NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)nc(C(C)(C)C)n1 COC[*:1] CN(C)C(=O)[C@@H]1CC[C@H](CNc2cc(nc(n2)C(C)(C)C)[*:1])O1
C[C@@](O)(c1cccs1)[C@H]1CCOC2(CCCC2)C1 c1csc(c1)[*:1] C[C@@](O)([C@H]1CCOC2(CCCC2)C1)[*:1]
Cn1ccnc1COC(=O)c1cnc2ccc(F)cc2c1 Cn1ccnc1C[*:1] O=C(O[*:1])c1cnc2ccc(F)cc2c1
Cn1ccnc1COC(=O)c1cnc2ccc(F)cc2c1 Cn1ccnc1[*:1] O=C(OC[*:1])c1cnc2ccc(F)cc2c1
O=C(OCc1ccccc1)N1CCC[C@H]1Cn1c(CO)nc2cccnc21 c1ccc(cc1)C[*:1] O=C(O[*:1])N1CCC[C@H]1Cn1c(CO)nc2cccnc21
O=C(OCc1ccccc1)N1CCC[C@H]1Cn1c(CO)nc2cccnc21 c1ccc(cc1)[*:1] O=C(OC[*:1])N1CCC[C@H]1Cn1c(CO)nc2cccnc21
Cc1ccc2c(c1)cc(C(=O)N(Cc1ccccn1)C1CCCCC1)n2C c1ccc(C[*:1])nc1 Cc1ccc2c(c1)cc(C(=O)N(C1CCCCC1)[*:1])n2C
Cc1ccc2c(c1)cc(C(=O)N(Cc1ccccn1)C1CCCCC1)n2C c1ccc(nc1)[*:1] Cc1ccc2c(c1)cc(C(=O)N(C[*:1])C1CCCCC1)n2C
Cc1ccc2c(c1)cc(C(=O)N(Cc1ccccn1)C1CCCCC1)n2C C1CCC(CC1)[*:1] Cc1ccc2c(c1)cc(C(=O)N(Cc1ccccn1)[*:1])n2C
CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[C@@H](C)C2 C1CCC(CC1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2C[C@H](C)CCc21
CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[C@@H](C)C2 CCOC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)C1CCCCC1)c2[*:1]
Cc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(NC(=O)COc2ccccc2F)c1 Fc1ccccc1OC[*:1] Cc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(c1)NC(=O)[*:1]
Cc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(NC(=O)COc2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(c1)NC(=O)CO[*:1]
Cc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(NC(=O)COc2ccccc2F)c1 Fc1ccccc1O[*:1] Cc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(c1)NC(=O)C[*:1]
CSCCCNC(=O)c1n[nH]c(C(C)C)n1 CSCC[*:1] CC(C)c1nc(n[nH]1)C(=O)NC[*:1]
CSCCCNC(=O)c1n[nH]c(C(C)C)n1 CSCCC[*:1] CC(C)c1nc(n[nH]1)C(=O)N[*:1]
CSCCCNC(=O)c1n[nH]c(C(C)C)n1 CC(C)[*:1] CSCCCNC(=O)c1n[nH]c(n1)[*:1]
CSCCCNC(=O)c1n[nH]c(C(C)C)n1 CSC[*:1] CC(C)c1nc(n[nH]1)C(=O)NCC[*:1]
O=C(Oc1ccccc1F)c1cccc(-c2noc(C3CC3)n2)c1 Fc1ccccc1[*:1] O=C(O[*:1])c1cccc(c1)-c1noc(n1)C1CC1
O=C(Oc1ccccc1F)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1c1nc(no1)[*:1] O=C(Oc1ccccc1F)c1cccc(c1)[*:1]
O=C(Oc1ccccc1F)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1[*:1] O=C(Oc1ccccc1F)c1cccc(c1)-c1noc(n1)[*:1]
CC(=O)NCCNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] CC(=O)NCCNC(=O)/C=C/c1cc(ccc1Cl)[*:1]
CC(=O)NCCNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl CC(=O)NCC[*:1] O=C(/C=C/c1cc(ccc1Cl)C(F)(F)F)N[*:1]
CC(=O)NCCNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl CC(=O)N[*:1] O=C(/C=C/c1cc(ccc1Cl)C(F)(F)F)NCC[*:1]
CC(=O)NCCNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl CC(=O)NC[*:1] O=C(/C=C/c1cc(ccc1Cl)C(F)(F)F)NC[*:1]
C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1nc2cc(Cl)ccc2n1C C1C[C@@H](CO1)OC[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1nc2cc(Cl)ccc2n1C
C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1nc2cc(Cl)ccc2n1C C1C[C@@H](CO1)[*:1] C[C@@H](CO[*:1])[NH2+][C@@H](C)c1nc2cc(Cl)ccc2n1C
C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1nc2cc(Cl)ccc2n1C C1C[C@@H](CO1)O[*:1] C[C@@H](C[*:1])[NH2+][C@@H](C)c1nc2cc(Cl)ccc2n1C
O=c1oc2cc(O)cc(O)c2c([O-])c1-c1ccccc1 c1ccc(cc1)[*:1] O=c1oc2cc(O)cc(O)c2c([O-])c1[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1NC(C)=O c1cc2OCOc2cc1C[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)N(C1CCCC1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1NC(C)=O c1cc2OCOc2cc1[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)N(C[*:1])C1CCCC1
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1NC(C)=O C1CCC(C1)[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)N(Cc1ccc2OCOc2c1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N(Cc1ccc2OCOc2c1)C1CCCC1
O=C(CN1CCN(C(=O)c2cccnc2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)c1cccnc1)N[*:1]
O=C(CN1CCN(C(=O)c2cccnc2)CC1)Nc1ccc(F)cc1 c1cncc(c1)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1ccc(F)cc1
Cc1ccccc1CSc1nc(N)cc(NCCN2CCOCC2)n1 C1CN(CCO1)CC[*:1] Cc1ccccc1CSc1nc(N)cc(n1)N[*:1]
Cc1ccccc1CSc1nc(N)cc(NCCN2CCOCC2)n1 Cc1ccccc1[*:1] Nc1cc(nc(n1)SC[*:1])NCCN1CCOCC1
Cc1ccccc1CSc1nc(N)cc(NCCN2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1ccccc1CSc1nc(N)cc(n1)NCC[*:1]
Cc1ccccc1CSc1nc(N)cc(NCCN2CCOCC2)n1 Cc1ccccc1C[*:1] Nc1cc(nc(n1)S[*:1])NCCN1CCOCC1
Cc1ccccc1CSc1nc(N)cc(NCCN2CCOCC2)n1 C1CN(CCO1)C[*:1] Cc1ccccc1CSc1nc(N)cc(n1)NC[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@](O)(c3cccs3)C(F)(F)F)CC2=O)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)NC[C@](O)(C(F)(F)F)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@](O)(c3cccs3)C(F)(F)F)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NC[C@](O)(c1cccs1)C(F)(F)F)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@](O)(c3cccs3)C(F)(F)F)CC2=O)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)NC[C@](O)(c1cccs1)[*:1]
O=C(NCc1cccc(OCC(F)F)n1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 FC(F)[*:1] O=C(NCc1cccc(n1)OC[*:1])[C@@H]1CC(=O)N(C1)c1cn[nH]c1
O=C(NCc1cccc(OCC(F)F)n1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 c1n[nH]cc1[*:1] O=C(NCc1cccc(n1)OCC(F)F)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCc1cccc(OCC(F)F)n1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 FC(F)CO[*:1] O=C(NCc1cccc(n1)[*:1])[C@@H]1CC(=O)N(C1)c1cn[nH]c1
O=C(NCc1cccc(OCC(F)F)n1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 FC(F)C[*:1] O=C(NCc1cccc(n1)O[*:1])[C@@H]1CC(=O)N(C1)c1cn[nH]c1
C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)COc1cccc(c1)C(F)(F)F)[*:1]
C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)C(N)=O FC(F)(F)[*:1] C[C@@H](NC(=O)COc1cccc(c1)[*:1])C(N)=O
C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)C(N)=O C[C@@H](C(N)=O)[*:1] O=C(COc1cccc(c1)C(F)(F)F)N[*:1]
Cc1ccc(NC(=O)CSCc2cc(=O)n3nc(C)sc3n2)cc1 Cc1ccc(cc1)[*:1] Cc1nn2c(=O)cc(CSCC(=O)N[*:1])nc2s1
Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1F O=C([O-])[*:1] Cc1ccc(cc1F)NC(=O)[C@H]1CC=CC[C@@H]1[*:1]
CCC[NH2+][C@H](C)c1ccccc1Sc1cccs1 c1csc(c1)S[*:1] CCC[NH2+][C@H](C)c1ccccc1[*:1]
CCC[NH2+][C@H](C)c1ccccc1Sc1cccs1 c1csc(c1)[*:1] CCC[NH2+][C@H](C)c1ccccc1S[*:1]
CCC[NH2+][C@H](C)c1ccccc1Sc1cccs1 CCC[*:1] C[C@@H]([NH2+][*:1])c1ccccc1Sc1cccs1
Fc1cccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1 Fc1cccc(c1)[*:1] Fc1cccc(c1)C[NH+]1CCN(CC1)C[*:1]
Fc1cccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1 Fc1cccc(c1)[*:1] Fc1cccc(c1)CN1CC[NH+](CC1)C[*:1]
COc1cccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])c1oc2ccccc2c1COc1ccccc1
COc1cccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1 c1ccc(cc1)O[*:1] COc1cccc(c1)NC(=O)c1oc2ccccc2c1C[*:1]
COc1cccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1 c1ccc(cc1)OC[*:1] COc1cccc(c1)NC(=O)c1oc2ccccc2c1[*:1]
COc1cccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)c1oc2ccccc2c1CO[*:1]
CCN(Cc1ccccc1NC(=O)Cc1ccc(F)c(F)c1)C(C)=O CCN(C(C)=O)[*:1] O=C(Cc1ccc(F)c(F)c1)Nc1ccccc1C[*:1]
CCN(Cc1ccccc1NC(=O)Cc1ccc(F)c(F)c1)C(C)=O CCN(C[*:1])C(C)=O O=C(Cc1ccc(F)c(F)c1)Nc1ccccc1[*:1]
CCN(Cc1ccccc1NC(=O)Cc1ccc(F)c(F)c1)C(C)=O Fc1ccc(cc1F)[*:1] CCN(Cc1ccccc1NC(=O)C[*:1])C(C)=O
Cc1cc(=O)c(C(=O)N[C@@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)nn1-c1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)N[C@@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1
Cc1cc(=O)c(C(=O)N[C@@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)nn1-c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1cc(=O)c(nn1-c1ccccc1[*:1])C(=O)N[C@@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1
CCN(Cc1cccc(F)c1)C(=S)Nc1ccc(Cl)cc1 Fc1cccc(c1)[*:1] CCN(C[*:1])C(=S)Nc1ccc(Cl)cc1
CCN(Cc1cccc(F)c1)C(=S)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCN(Cc1cccc(F)c1)C(=S)N[*:1]
C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1cccs1 c1csc(c1)[*:1] C[C@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)N[C@@H](C)[*:1]
C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1cccs1 C[C@H](c1cccs1)[*:1] C[C@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)N[*:1]
Cc1csc([C@@H](C#N)C(=O)Cn2nnc(-c3ccccc3)n2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)Cn1nnc(n1)[*:1]
Cc1csc([C@@H](C#N)C(=O)Cn2nnc(-c3ccccc3)n2)n1 Cc1csc(n1)[*:1] N#C[C@@H](C(=O)Cn1nnc(n1)-c1ccccc1)[*:1]
CC(=O)N[C@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@@]3(O)[C@@]12C)C(C)C CC(=O)N[C@H](C(C)C)[*:1] CC1(C)CC[C@H](OC(=O)[*:1])[C@@]2(C)[C@H]1CC=C1C(=O)OC[C@]12O
CC(=O)N[C@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@@]3(O)[C@@]12C)C(C)C CC(=O)N[*:1] CC(C)[C@@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@@]3(O)[C@@]12C)[*:1]
CSc1nnnn1-c1cccc(NC(=O)N(C)C2CCC(C)CC2)c1 CSc1nnnn1[*:1] CC1CCC(CC1)N(C)C(=O)Nc1cccc(c1)[*:1]
CSc1nnnn1-c1cccc(NC(=O)N(C)C2CCC(C)CC2)c1 CC1CCC(CC1)[*:1] CSc1nnnn1-c1cccc(c1)NC(=O)N(C)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)Cc1cccc(F)c1F Cc1ccccc1[*:1] C[C@H](CNC(=O)Cc1cccc(F)c1F)O[*:1]
CCOc1ccc2cc(C(=O)Nc3cccc(Cl)c3Cl)c(=O)oc2c1 Clc1cccc(c1Cl)[*:1] CCOc1ccc2cc(C(=O)N[*:1])c(=O)oc2c1
CCOc1ccc2cc(C(=O)Nc3cccc(Cl)c3Cl)c(=O)oc2c1 CCO[*:1] O=C(Nc1cccc(Cl)c1Cl)c1cc2ccc(cc2oc1=O)[*:1]
C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)C[C@H]1O Fc1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)N[C@@H]1CCC[C@H]1[*:1]
CCCc1nc(C(=O)N2CCC[C@@H]2c2cccs2)n[nH]1 c1csc(c1)[*:1] CCCc1nc(n[nH]1)C(=O)N1CCC[C@H]1[*:1]
CCCc1nc(C(=O)N2CCC[C@@H]2c2cccs2)n[nH]1 CCC[*:1] O=C(c1n[nH]c(n1)[*:1])N1CCC[C@@H]1c1cccs1
O=c1c2cc(Cl)c(Br)cc2ncn1C[C@@H](O)CNc1ccc(Cl)cc1 Clc1ccc(cc1)N[*:1] O=c1c2cc(Cl)c(Br)cc2ncn1C[C@@H](O)C[*:1]
O=c1c2cc(Cl)c(Br)cc2ncn1C[C@@H](O)CNc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=c1c2cc(Cl)c(Br)cc2ncn1C[C@@H](O)CN[*:1]
O=C([O-])CN(CC(F)(F)F)C(=O)Nc1ccccc1Cl O=C([O-])[*:1] O=C(Nc1ccccc1Cl)N(CC(F)(F)F)C[*:1]
O=C([O-])CN(CC(F)(F)F)C(=O)Nc1ccccc1Cl FC(F)(F)[*:1] O=C([O-])CN(C[*:1])C(=O)Nc1ccccc1Cl
O=C([O-])CN(CC(F)(F)F)C(=O)Nc1ccccc1Cl FC(F)(F)C[*:1] O=C([O-])CN(C(=O)Nc1ccccc1Cl)[*:1]
O=C([O-])CN(CC(F)(F)F)C(=O)Nc1ccccc1Cl O=C([O-])C[*:1] O=C(Nc1ccccc1Cl)N(CC(F)(F)F)[*:1]
CC(C)n1cc(CCCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c2ccccc21 CC(C)[*:1] O=C(CCCc1cn(c2ccccc12)[*:1])N1CCn2c(C1)nnc2C(F)(F)F
CC(C)n1cc(CCCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c2ccccc21 FC(F)(F)[*:1] CC(C)n1cc(CCCC(=O)N2CCn3c(C2)nnc3[*:1])c2ccccc21
C[C@@H]1C[C@@H]1C(=O)N1CCN(c2nccc(OCc3ccccc3)n2)CC1 c1ccc(cc1)C[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)c1nccc(n1)O[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(c2nccc(OCc3ccccc3)n2)CC1 c1ccc(cc1)CO[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)c1nccc(n1)[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(c2nccc(OCc3ccccc3)n2)CC1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)c1nccc(n1)OC[*:1]
C#CCNC(=O)c1ccc(N2CCO[C@@H](c3cccc(O)c3)C2)nc1 C#CC[*:1] O=C(N[*:1])c1ccc(nc1)N1CCO[C@H](C1)c1cccc(O)c1
C#CCNC(=O)c1ccc(N2CCO[C@@H](c3cccc(O)c3)C2)nc1 Oc1cccc(c1)[*:1] C#CCNC(=O)c1ccc(nc1)N1CCO[C@@H](C1)[*:1]
C#CCNC(=O)c1ccc(N2CCO[C@@H](c3cccc(O)c3)C2)nc1 C#CCNC(=O)[*:1] Oc1cccc(c1)[C@H]1CN(CCO1)c1ccc(cn1)[*:1]
CCn1nc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(c1C)S(=O)(=O)N[C@H](C)[*:1]
CCCCNC(=O)CN1CC[NH+](Cc2nnc(C)o2)CC1 CCCCNC(=O)[*:1] Cc1nnc(C[NH+]2CCN(CC2)C[*:1])o1
CCCCNC(=O)CN1CC[NH+](Cc2nnc(C)o2)CC1 Cc1nnc(o1)[*:1] CCCCNC(=O)CN1CC[NH+](CC1)C[*:1]
CCCCNC(=O)CN1CC[NH+](Cc2nnc(C)o2)CC1 Cc1nnc(C[*:1])o1 CCCCNC(=O)CN1CC[NH+](CC1)[*:1]
CCCCNC(=O)CN1CC[NH+](Cc2nnc(C)o2)CC1 CCCC[*:1] Cc1nnc(C[NH+]2CCN(CC2)CC(=O)N[*:1])o1
CCCCNC(=O)CN1CC[NH+](Cc2nnc(C)o2)CC1 CCC[*:1] Cc1nnc(C[NH+]2CCN(CC2)CC(=O)NC[*:1])o1
C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[S@](C)=O C[S@](=O)[*:1] C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[*:1]
C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[S@](C)=O C[C@H]([S@](C)=O)[*:1] CC1(C)C[C@H]([NH2+]C[*:1])C(C)(C)O1
Cn1c(C(F)(F)F)nn(CCNC(=O)c2cc3ccccc3oc2=O)c1=O FC(F)(F)[*:1] Cn1c(nn(CCNC(=O)c2cc3ccccc3oc2=O)c1=O)[*:1]
CC[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(C)c(F)c1 C[S@@](=O)[*:1] CC[C@@H]([NH2+][C@@H](C)c1ccc(cc1)[*:1])c1ccc(C)c(F)c1
Cc1ccccc1N1CCN(C(=O)/C=C/c2cnn(C)c2)[C@H](C)C1 Cc1ccccc1[*:1] C[C@@H]1CN(CCN1C(=O)/C=C/c1cnn(C)c1)[*:1]
Cc1ccccc1N1CCN(C(=O)/C=C/c2cnn(C)c2)[C@H](C)C1 Cn1cc(C=C[*:1])cn1 Cc1ccccc1N1CCN(C(=O)[*:1])[C@H](C)C1
Cc1ccccc1N1CCN(C(=O)/C=C/c2cnn(C)c2)[C@H](C)C1 Cn1cc(cn1)[*:1] Cc1ccccc1N1CCN(C(=O)C=C[*:1])[C@H](C)C1
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H](C)Cl)c1 C[C@@H](Cl)[*:1] CCN(CC)S(=O)(=O)c1ccc(OC)c(c1)NC(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H](C)Cl)c1 C[C@@H](Cl)C(=O)N[*:1] CCN(CC)S(=O)(=O)c1ccc(OC)c(c1)[*:1]
CCCN(CC1CC1)c1nc(Cl)cc(COC)n1 CCC[*:1] COCc1cc(Cl)nc(n1)N(CC1CC1)[*:1]
CCCN(CC1CC1)c1nc(Cl)cc(COC)n1 C1CC1C[*:1] CCCN(c1nc(Cl)cc(COC)n1)[*:1]
CCCN(CC1CC1)c1nc(Cl)cc(COC)n1 COC[*:1] CCCN(CC1CC1)c1nc(Cl)cc(n1)[*:1]
CCCN(CC1CC1)c1nc(Cl)cc(COC)n1 C1CC1[*:1] CCCN(C[*:1])c1nc(Cl)cc(COC)n1
CC[NH2+][C@@H](Cc1cccc(C)c1)C1([NH+](C)C)CCCCC1 Cc1cccc(c1)[*:1] CC[NH2+][C@@H](C[*:1])C1(CCCCC1)[NH+](C)C
CCC[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1F CCC[*:1] Cn1cc[nH+]c1C[C@@H]([NH2+][*:1])c1ccccc1F
CCC(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)Nc1ccc(Br)cc1 CCC(=O)N[*:1] C[C@@H](c1nc2ccccc2n1CC(=O)Nc1ccc(Br)cc1)[*:1]
CCC(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCC(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)NCCNC(=O)C(C)C)c1C CC(C)[*:1] Cc1cccc(c1C)[C@@H]1CCCCN1C(=O)NCCNC(=O)[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)NCCNC(=O)C(C)C)c1C CC(C)C(=O)NCC[*:1] Cc1cccc(c1C)[C@@H]1CCCCN1C(=O)N[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)NCCNC(=O)C(C)C)c1C Cc1cccc(c1C)[*:1] CC(C)C(=O)NCCNC(=O)N1CCCC[C@H]1[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)NCCNC(=O)C(C)C)c1C CC(C)C(=O)NC[*:1] Cc1cccc(c1C)[C@@H]1CCCCN1C(=O)NC[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)NCCNC(=O)C(C)C)c1C CC(C)C(=O)N[*:1] Cc1cccc(c1C)[C@@H]1CCCCN1C(=O)NCC[*:1]
CC(C)n1ncc2cc(/C=C/C(=O)O[C@H](C)c3cc(F)ccc3F)c(=O)[nH]c21 CC(C)[*:1] C[C@@H](OC(=O)/C=C/c1cc2cnn(c2[nH]c1=O)[*:1])c1cc(F)ccc1F
CC(C)n1ncc2cc(/C=C/C(=O)O[C@H](C)c3cc(F)ccc3F)c(=O)[nH]c21 Fc1ccc(F)c(c1)[*:1] CC(C)n1ncc2cc(/C=C/C(=O)O[C@H](C)[*:1])c(=O)[nH]c21
COc1ccc(F)cc1NC(=O)/C=C/c1csc(C)n1 Cc1nc(cs1)[*:1] COc1ccc(F)cc1NC(=O)C=C[*:1]
CCC/C(N)=N/OCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 CCC/C(N)=N/O[*:1] CS(=O)(=O)c1ccc(cc1)-c1nc(co1)C[*:1]
CCC/C(N)=N/OCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 CS(=O)(=O)[*:1] CCC/C(N)=N/OCc1coc(n1)-c1ccc(cc1)[*:1]
CCC/C(N)=N/OCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 CCC[*:1] CS(=O)(=O)c1ccc(cc1)-c1nc(co1)CO/N=C(\N)[*:1]
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1
CCc1cc(NC(=O)c2cnc(Cc3ccccc3)s2)[nH]n1 c1ccc(cc1)C[*:1] CCc1cc(NC(=O)c2cnc(s2)[*:1])[nH]n1
CCc1cc(NC(=O)c2cnc(Cc3ccccc3)s2)[nH]n1 CCc1cc([nH]n1)[*:1] O=C(N[*:1])c1cnc(Cc2ccccc2)s1
CCc1cc(NC(=O)c2cnc(Cc3ccccc3)s2)[nH]n1 c1ccc(cc1)[*:1] CCc1cc(NC(=O)c2cnc(C[*:1])s2)[nH]n1
C/[NH+]=C(/NCc1ccc(O)c(F)c1)N[C@H](C)[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] C/[NH+]=C(/NCc1ccc(O)c(F)c1)N[C@H](C)[*:1]
C/[NH+]=C(/NCc1ccc(O)c(F)c1)N[C@H](C)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCc1ccc(O)c(F)c1)N[C@H](C)[C@@H](C)[*:1]
C/[NH+]=C(/NCc1ccc(O)c(F)c1)N[C@H](C)[C@@H](C)c1ccccc1 Oc1ccc(cc1F)[*:1] C/[NH+]=C(/NC[*:1])N[C@H](C)[C@@H](C)c1ccccc1
COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccco3)[nH]n2)cc1 COc1ccc(cc1)[*:1] O=C(c1cc([nH]n1)-c1ccco1)N1CCC[C@H]1[*:1]
COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccco3)[nH]n2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)c1cc([nH]n1)[*:1]
C[C@@H](NCCc1nccn1Cc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 c1ccc(cc1)[*:1] C[C@@H](NCCc1nccn1C[*:1])c1ccc2[nH]c(=O)[nH]c2c1
C[C@@H](NCCc1nccn1Cc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 c1ccc(cc1)C[*:1] C[C@@H](NCCc1nccn1[*:1])c1ccc2[nH]c(=O)[nH]c2c1
Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1c(Br)cnn1C Cc1noc(C)c1[*:1] Cn1ncc(Br)c1C(=O)N1CCC[C@H]1[*:1]
Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1c(Br)cnn1C Cn1ncc(Br)c1[*:1] Cc1noc(C)c1[C@@H]1CCCN1C(=O)[*:1]
CC(C)OCCOC(=O)[C@H]1C=C[C@@H]([NH3+])C1 CC(C)O[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)OCC[*:1]
CC(C)OCCOC(=O)[C@H]1C=C[C@@H]([NH3+])C1 CC(C)OC[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)OC[*:1]
CC(C)OCCOC(=O)[C@H]1C=C[C@@H]([NH3+])C1 CC(C)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)OCCO[*:1]
Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)C(C)C CC(C)[*:1] Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)[*:1]
Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)C(C)C Fc1ccc(nc1)[*:1] Cc1cccnc1[C@@H]([NH2+][C@@H](C)[*:1])C(C)C
Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)C(C)C Cc1cccnc1[*:1] CC(C)[C@H]([NH2+][C@@H](C)c1ccc(F)cn1)[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnsn1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1O)[*:1])c1cnsn1
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnsn1 c1nsnc1[*:1] O=C(Nc1cc(ccc1O)[N+](=O)[O-])[*:1]
CC[C@H](C)n1ncc(C(=O)OCC2(C)COC2)c1C1CC1 CC[C@H](C)[*:1] CC1(COC1)COC(=O)c1cnn(c1C1CC1)[*:1]
CC[C@H](C)n1ncc(C(=O)OCC2(C)COC2)c1C1CC1 CC1(COC1)C[*:1] CC[C@H](C)n1ncc(C(=O)O[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)OCC2(C)COC2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)OCC2(C)COC2)c1[*:1]
CC[C@H](C)n1ncc(C(=O)OCC2(C)COC2)c1C1CC1 CC1(COC1)[*:1] CC[C@H](C)n1ncc(C(=O)OC[*:1])c1C1CC1
NC(=O)CSc1c(Cl)cccc1Cl NC(=O)[*:1] Clc1cccc(Cl)c1SC[*:1]
NC(=O)CSc1c(Cl)cccc1Cl NC(=O)C[*:1] Clc1cccc(Cl)c1S[*:1]
C[C@H]1Cc2ccccc2N1C(=O)Cn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21 O=S(=O)(N1CCCC1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)Cn1c(=O)sc2cc(ccc21)[*:1]
COc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc2nc(NC(=O)[*:1])oc2c1
COc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1 CC(=O)N[*:1] COc1ccc(cc1)C(=O)Nc1nc2ccc(cc2o1)[*:1]
Cc1nc(-c2cccc(NC(=O)CC[C@H]3NC(=O)NC3=O)c2)cs1 Cc1nc(cs1)[*:1] O=C(CC[C@H]1NC(=O)NC1=O)Nc1cccc(c1)[*:1]
C[C@H](NC(=O)NCCC[C@@H]1CCCC[C@H]1O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)NCCC[C@@H]1CCCC[C@H]1O)[*:1]
C[C@H](NC(=O)NCCC[C@@H]1CCCC[C@H]1O)c1ccc(Cl)s1 O[C@@H]1CCCC[C@H]1[*:1] C[C@H](NC(=O)NCCC[*:1])c1ccc(Cl)s1
CCOCCNc1nn2cc(C(C)(C)C)nc2s1 CCOCCN[*:1] CC(C)(C)c1cn2nc(sc2n1)[*:1]
CCOCCNc1nn2cc(C(C)(C)C)nc2s1 CCOCC[*:1] CC(C)(C)c1cn2nc(N[*:1])sc2n1
CCOCCNc1nn2cc(C(C)(C)C)nc2s1 CCOC[*:1] CC(C)(C)c1cn2nc(NC[*:1])sc2n1
CCOCCNc1nn2cc(C(C)(C)C)nc2s1 CCO[*:1] CC(C)(C)c1cn2nc(NCC[*:1])sc2n1
CCOCCNc1nn2cc(C(C)(C)C)nc2s1 CC(C)(C)[*:1] CCOCCNc1nn2cc(nc2s1)[*:1]
CC[C@@H](OC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccc(C)cc1 c1cc(co1)[*:1] CC[C@@H](OC(=O)C1CCN(CC1)C(=O)[*:1])c1ccc(C)cc1
CC[C@@H](OC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](OC(=O)C1CCN(CC1)C(=O)c1ccoc1)[*:1]
Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1ccc2OCCOc2c1)[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cn3nc(C)sc3=S)CC2)cc1 Cc1nn(c(=S)s1)[*:1] CC[C@H](C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cn3nc(C)sc3=S)CC2)cc1 Cc1nn(C[*:1])c(=S)s1 CC[C@H](C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cn3nc(C)sc3=S)CC2)cc1 CC[C@H](C)[*:1] Cc1nn(CN2CCN(CC2)S(=O)(=O)c2ccc(cc2)[*:1])c(=S)s1
COc1cc(OC)c(OC)cc1CNC(=O)c1cccnc1O Oc1ncccc1[*:1] COc1cc(OC)c(cc1CNC(=O)[*:1])OC
CC(=O)c1cc(CN2CCN(c3ccccc3C#N)C(=O)C2)cs1 CC(=O)c1cc(cs1)[*:1] N#Cc1ccccc1N1CCN(CC1=O)C[*:1]
CC(=O)c1cc(CN2CCN(c3ccccc3C#N)C(=O)C2)cs1 N#Cc1ccccc1[*:1] CC(=O)c1cc(cs1)CN1CCN(C(=O)C1)[*:1]
CC(=O)c1cc(CN2CCN(c3ccccc3C#N)C(=O)C2)cs1 CC(=O)[*:1] N#Cc1ccccc1N1CCN(CC1=O)Cc1csc(c1)[*:1]
Cc1nc2ccccc2c(=O)n1N[C@@H](O)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] Cc1nc2ccccc2c(=O)n1N[C@@H](O)[*:1]
CSc1nc(C)c(CCC(=O)[C@@H](C#N)c2ccc(F)cn2)c(=O)[nH]1 Fc1ccc(nc1)[*:1] CSc1nc(C)c(CCC(=O)[C@@H](C#N)[*:1])c(=O)[nH]1
CN(CC[NH+]1CCCC1)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CN(CC[NH+]1CCCC1)C(=O)Nc1cnc(s1)[*:1]
COc1ccc(NC(=O)c2cc(Br)c[nH]2)c(OC)c1 Brc1c[nH]c(c1)[*:1] COc1ccc(NC(=O)[*:1])c(c1)OC
CC(C)Oc1ccc(/C=C/C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)cc1 CC(C)[*:1] Cn1c(nnc1[C@H](C#N)C(=O)/C=C/c1ccc(cc1)O[*:1])-c1ccccc1
CC(C)Oc1ccc(/C=C/C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)cc1 CC(C)O[*:1] Cn1c(nnc1[C@H](C#N)C(=O)/C=C/c1ccc(cc1)[*:1])-c1ccccc1
CC(C)Oc1ccc(/C=C/C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)cc1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(/C=C/C(=O)[C@@H](C#N)c2nnc(n2C)[*:1])cc1
COCCNC(=O)c1nc(-c2ccc(Cl)cc2)no1 COC[*:1] O=C(NC[*:1])c1nc(no1)-c1ccc(Cl)cc1
COCCNC(=O)c1nc(-c2ccc(Cl)cc2)no1 COCC[*:1] O=C(N[*:1])c1nc(no1)-c1ccc(Cl)cc1
C[C@H](Cc1ccccc1)NC(=O)c1ccc(N)cc1 c1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)c1ccc(N)cc1
Cc1csc(Cn2cc(C[NH2+]CC(C)C)nn2)n1 Cc1csc(n1)[*:1] CC(C)C[NH2+]Cc1cn(C[*:1])nn1
Cc1csc(Cn2cc(C[NH2+]CC(C)C)nn2)n1 CC(C)[*:1] Cc1csc(Cn2cc(C[NH2+]C[*:1])nn2)n1
Cc1csc(Cn2cc(C[NH2+]CC(C)C)nn2)n1 CC(C)C[*:1] Cc1csc(Cn2cc(C[NH2+][*:1])nn2)n1
Cc1ccc(NC(=O)Cn2c(C)cc(=O)n3nc(-c4ccccc4Cl)nc23)cc1 Cc1ccc(cc1)[*:1] Cc1cc(=O)n2nc(nc2n1CC(=O)N[*:1])-c1ccccc1Cl
Cc1ccc(NC(=O)Cn2c(C)cc(=O)n3nc(-c4ccccc4Cl)nc23)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)Cn1c(C)cc(=O)n2nc(nc12)[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Br CCO[*:1] Cc1cc(c(Cl)cc1NC(=S)NC(=O)c1ccc(c(Br)c1)[*:1])[N+](=O)[O-]
CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Br O=[N+]([O-])[*:1] CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1cc(Cl)c(cc1C)[*:1]
O=C(c1cccs1)[C@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F c1csc(c1)[*:1] O=C([C@H]1[C@@H](NC(=S)N[C@]1(O)C(F)(F)F)c1ccc(O)cc1)[*:1]
O=C(c1cccs1)[C@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F Oc1ccc(cc1)[*:1] O=C(c1cccs1)[C@H]1[C@H](NC(=S)N[C@]1(O)C(F)(F)F)[*:1]
O=C(c1cccs1)[C@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F O=C(c1cccs1)[*:1] Oc1ccc(cc1)[C@@H]1NC(=S)N[C@@](O)([C@H]1[*:1])C(F)(F)F
O=C(c1cccs1)[C@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@]1(O)C(F)(F)F FC(F)(F)[*:1] O=C(c1cccs1)[C@H]1[C@@H](NC(=S)N[C@@]1(O)[*:1])c1ccc(O)cc1
CC[C@](C)([C@@H](O)c1cnccn1)[NH+]1CCCCC1 c1cnc(cn1)[*:1] CC[C@](C)([C@@H](O)[*:1])[NH+]1CCCCC1
O=C(NCCCC[NH+]1CCCC1)N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(NCCCC[NH+]1CCCC1)N1CCN(CC1)C(=O)[*:1]
CCOCCN(C)C(=O)[C@@H]1CSCN1C(=O)CC CCOC[*:1] CCC(=O)N1CSC[C@H]1C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)[C@@H]1CSCN1C(=O)CC CCOCC[*:1] CCC(=O)N1CSC[C@H]1C(=O)N(C)[*:1]
CCOCCN(C)C(=O)[C@@H]1CSCN1C(=O)CC CCO[*:1] CCC(=O)N1CSC[C@H]1C(=O)N(C)CC[*:1]
Cc1ccc(CNC(=O)C(=O)Nc2cccn(C)c2=O)s1 Cc1ccc(s1)[*:1] Cn1cccc(NC(=O)C(=O)NC[*:1])c1=O
Cc1ccc(CNC(=O)C(=O)Nc2cccn(C)c2=O)s1 Cc1ccc(C[*:1])s1 Cn1cccc(NC(=O)C(=O)N[*:1])c1=O
CCc1noc(CC)c1CC(=O)N[C@H](c1ccccc1)C(C)(C)C CC(C)(C)[*:1] CCc1noc(CC)c1CC(=O)N[C@H](c1ccccc1)[*:1]
CCc1noc(CC)c1CC(=O)N[C@H](c1ccccc1)C(C)(C)C c1ccc(cc1)[*:1] CCc1noc(CC)c1CC(=O)N[C@H](C(C)(C)C)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(C#N)cc1 C[C@@H](O)[*:1] C[C@@H](CNC(=O)c1ccc(C#N)cc1)C[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(C#N)cc1 C[C@@H](O)C[*:1] C[C@@H](CNC(=O)c1ccc(C#N)cc1)[*:1]
Cc1cc(COC(=O)c2cccc(C#N)c2)no1 Cc1cc(no1)[*:1] N#Cc1cccc(c1)C(=O)OC[*:1]
O=C1[C@H]2CCCN2C(=O)N1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C1[C@H]2CCCN2C(=O)N1CC(=O)N1N=C(C[C@@H]1[*:1])c1cccs1
O=C1[C@H]2CCCN2C(=O)N1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 c1csc(c1)[*:1] O=C1[C@H]2CCCN2C(=O)N1CC(=O)N1N=C(C[C@H]1c1ccco1)[*:1]
C[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1cccnc1 c1cnnc(c1)[*:1] C[C@@H]([NH2+]C[C@@H]1CCCN1[*:1])c1cccnc1
C[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)[*:1]
CCCC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1CC(C)C CC(C)C[*:1] CCCC(=O)Nc1c(c(C)c(C)n1[*:1])S(=O)(=O)c1ccc(F)cc1
CCCC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1CC(C)C CCCC(=O)N[*:1] Cc1c(c(n(CC(C)C)c1C)[*:1])S(=O)(=O)c1ccc(F)cc1
CCCC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1CC(C)C CCC[*:1] Cc1c(c(NC(=O)[*:1])n(CC(C)C)c1C)S(=O)(=O)c1ccc(F)cc1
CCCC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1CC(C)C Fc1ccc(cc1)[*:1] CCCC(=O)Nc1c(c(C)c(C)n1CC(C)C)S(=O)(=O)[*:1]
CCCC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1CC(C)C CC(C)[*:1] CCCC(=O)Nc1c(c(C)c(C)n1C[*:1])S(=O)(=O)c1ccc(F)cc1
O=C(CCc1cccc(F)c1)Nc1ccccc1NC(=O)c1ccccc1 Fc1cccc(c1)[*:1] O=C(CC[*:1])Nc1ccccc1NC(=O)c1ccccc1
O=C(CCc1cccc(F)c1)Nc1ccccc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(CCc1cccc(F)c1)Nc1ccccc1[*:1]
O=C(CCc1cccc(F)c1)Nc1ccccc1NC(=O)c1ccccc1 Fc1cccc(c1)CC[*:1] O=C(Nc1ccccc1NC(=O)[*:1])c1ccccc1
O=C(CCc1cccc(F)c1)Nc1ccccc1NC(=O)c1ccccc1 Fc1cccc(c1)C[*:1] O=C(C[*:1])Nc1ccccc1NC(=O)c1ccccc1
O=C(CCc1cccc(F)c1)Nc1ccccc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1cccc(F)c1)Nc1ccccc1NC(=O)[*:1]
CCc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccc(C)cc5)no4)cnc32)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)-n1nnc2c(=O)n(cnc21)Cc1nc(no1)[*:1]
CCc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccc(C)cc5)no4)cnc32)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(Cn2cnc3c(nnn3[*:1])c2=O)n1
N#CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 N#CC[*:1] Fc1ccc(cc1)-n1c(C[NH+]2CCCCC2)nnc1SC[*:1]
N#CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 N#CCCS[*:1] Fc1ccc(cc1)-n1c(C[NH+]2CCCCC2)nnc1[*:1]
N#CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 N#CCC[*:1] Fc1ccc(cc1)-n1c(C[NH+]2CCCCC2)nnc1S[*:1]
N#CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CCCSc1nnc(C[NH+]2CCCCC2)n1[*:1]
COc1ccc(C(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(C(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(C(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)[*:1] O=C(N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccccc1[C@@H](CNS(=O)(=O)c1cc(C)ccc1C)[NH+]1CCCCC1 COc1ccccc1[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NC[C@@H]([NH+]1CCCCC1)[*:1]
COc1ccccc1[C@@H](CNS(=O)(=O)c1cc(C)ccc1C)[NH+]1CCCCC1 Cc1ccc(C)c(c1)[*:1] COc1ccccc1[C@@H](CNS(=O)(=O)[*:1])[NH+]1CCCCC1
Cc1cccc(Cn2c(CNS(=O)(=O)c3ccc(Cl)s3)nc3cccnc32)c1 Cc1cccc(c1)C[*:1] O=S(=O)(NCc1nc2cccnc2n1[*:1])c1ccc(Cl)s1
Cc1cccc(Cn2c(CNS(=O)(=O)c3ccc(Cl)s3)nc3cccnc32)c1 Clc1ccc(s1)[*:1] Cc1cccc(c1)Cn1c(CNS(=O)(=O)[*:1])nc2cccnc21
Cc1cccc(Cn2c(CNS(=O)(=O)c3ccc(Cl)s3)nc3cccnc32)c1 Cc1cccc(c1)[*:1] O=S(=O)(NCc1nc2cccnc2n1C[*:1])c1ccc(Cl)s1
COc1ccccc1CCNC(=O)CSc1nc2cc(Cl)ccc2o1 COc1ccccc1[*:1] O=C(CSc1nc2cc(Cl)ccc2o1)NCC[*:1]
CCCS(=O)(=O)/N=C(\[O-])c1cn(C)nc1C(C)(C)C CCC[*:1] Cn1cc(/C([O-])=N/S(=O)(=O)[*:1])c(n1)C(C)(C)C
CCCS(=O)(=O)/N=C(\[O-])c1cn(C)nc1C(C)(C)C CC(C)(C)[*:1] CCCS(=O)(=O)/N=C(\[O-])c1cn(C)nc1[*:1]
COc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2CC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nnc(SCC(=O)N2CCc3ccccc32)n1C[*:1]
COc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2CC(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)Cn1c(nnc1[*:1])SCC(=O)N1CCc2ccccc21
COc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2CC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)-c1nnc(SCC(=O)N2CCc3ccccc32)n1[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCc1ccc(OC)cc1 CNC(=O)[*:1] COc1ccc(cc1)CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[*:1]
Cc1cc(S(=O)(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)sc1C Cc1cc(sc1C)[*:1] O=S(=O)(N[C@@H](CO)c1ccc(Cl)c(F)c1)[*:1]
CCCNC(=O)NC(=O)CSc1nc(C)c(C)n1CC(C)C CC(C)C[*:1] CCCNC(=O)NC(=O)CSc1nc(C)c(C)n1[*:1]
CCCNC(=O)NC(=O)CSc1nc(C)c(C)n1CC(C)C CC(C)[*:1] CCCNC(=O)NC(=O)CSc1nc(C)c(C)n1C[*:1]
CCCNC(=O)NC(=O)CSc1nc(C)c(C)n1CC(C)C CCC[*:1] Cc1nc(SCC(=O)NC(=O)N[*:1])n(CC(C)C)c1C
COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 COC[*:1] O=C(NC[*:1])c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1
COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 c1cnc2ccc(cc2c1)[*:1] COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C1)C[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 COCCNC(=O)[*:1] c1cnc2ccc(cc2c1)CN1CC[C@@H](C1)c1c(sc2ccccc12)[*:1]
COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 COCC[*:1] O=C(N[*:1])c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1
O=C1c2ccccc2N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1C1CC1 C1CC1[*:1] O=C1c2ccccc2N[C@@H](c2ccc(Br)c(c2)[N+](=O)[O-])N1[*:1]
O=C1c2ccccc2N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1C1CC1 O=[N+]([O-])[*:1] O=C1c2ccccc2N[C@@H](c2ccc(Br)c(c2)[*:1])N1C1CC1
C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccnc(c1)[*:1]
C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccnc(c1)O[*:1]
CC(C)Oc1cccnc1C(=O)N(C)CCCN1CC[NH+](C)CC1 CC(C)O[*:1] CN(CCCN1CC[NH+](C)CC1)C(=O)c1ncccc1[*:1]
CC(C)Oc1cccnc1C(=O)N(C)CCCN1CC[NH+](C)CC1 CC(C)[*:1] CN(CCCN1CC[NH+](C)CC1)C(=O)c1ncccc1O[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)N(C)C[C@H](C)c2ccccc2)cc1 CCN(CC)C(=O)[*:1] C[C@@H](CN(C)C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CCN(CC)C(=O)c1ccc(NC(=O)N(C)C[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)N(C)C[C@H](C)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)N(C)C[C@H](C)c2ccccc2)cc1 C[C@H](c1ccccc1)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)N(C)C[*:1]
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] COc1cccc(c1)NC(=O)C(C#N)=C[*:1]
O=C1CCCN1C[C@H]([NH2+]Cc1csc2ccccc12)c1ccccc1 O=C1CCCN1[*:1] c1ccc(cc1)[C@H](C[*:1])[NH2+]Cc1csc2ccccc12
O=C1CCCN1C[C@H]([NH2+]Cc1csc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCN1C[C@H]([NH2+]Cc1csc2ccccc12)[*:1]
O=C1CCCN1C[C@H]([NH2+]Cc1csc2ccccc12)c1ccccc1 O=C1CCCN1C[*:1] c1ccc(cc1)[C@@H]([NH2+]Cc1csc2ccccc12)[*:1]
CC[NH2+][C@H](C)c1ccn(CCc2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[NH2+][C@H](C)c1ccn(c1)CCc1ccccc1[*:1]
Cc1nn(C)cc1/C=c1\sc2n(c1=O)[C@H]1c3ccccc3O[C@@](C)(N=2)[C@H]1C(N)=O Cc1nn(C)cc1[*:1] C[C@@]12N=c3sc(=C[*:1])c(=O)n3[C@@H](c3ccccc3O1)[C@@H]2C(N)=O
Cc1nn(C)cc1/C=c1\sc2n(c1=O)[C@H]1c3ccccc3O[C@@](C)(N=2)[C@H]1C(N)=O NC(=O)[*:1] Cc1nn(C)cc1/C=c1\sc2=N[C@]3(C)Oc4ccccc4[C@@H]([C@H]3[*:1])n2c1=O
C[NH+](C)C1(CNC(=O)Cc2cccs2)CCOCC1 c1csc(c1)C[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)[*:1]
C[NH+](C)C1(CNC(=O)Cc2cccs2)CCOCC1 c1csc(c1)[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)C[*:1]
COC(=O)c1nn(C)c(C)c1NC(=O)c1cc(Br)ccc1Cl COC(=O)[*:1] Cc1c(NC(=O)c2cc(Br)ccc2Cl)c(nn1C)[*:1]
CCCNC(=O)c1ccc(NC(=O)C=C(C)C)cc1 CCCNC(=O)[*:1] CC(C)=CC(=O)Nc1ccc(cc1)[*:1]
CCCNC(=O)c1ccc(NC(=O)C=C(C)C)cc1 CCC[*:1] CC(C)=CC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCCNC(=O)c1ccc(NC(=O)C=C(C)C)cc1 CC(C)=C[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc2nc(C[NH+](C)CC3CCCCC3)cc(=O)n2c1 C1CCC(CC1)[*:1] Cc1ccc2nc(cc(=O)n2c1)C[NH+](C)C[*:1]
Cc1ccc2nc(C[NH+](C)CC3CCCCC3)cc(=O)n2c1 C1CCC(CC1)C[*:1] Cc1ccc2nc(cc(=O)n2c1)C[NH+](C)[*:1]
CCC(=O)Oc1cc(C)nn1-c1nc2ccccc2[nH]1 CCC(=O)O[*:1] Cc1cc(n(n1)-c1nc2ccccc2[nH]1)[*:1]
C[C@H](NC(=O)NCC(C)(C)N1CCOCC1)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] C[C@H](NC(=O)NCC(C)(C)N1CCOCC1)[*:1]
C[C@H](NC(=O)NCC(C)(C)N1CCOCC1)c1c(F)cccc1Cl C1CN(CCO1)[*:1] C[C@H](NC(=O)NCC(C)(C)[*:1])c1c(F)cccc1Cl
CCNC(=O)c1coc(NC(=O)c2cccs2)n1 CCNC(=O)[*:1] O=C(Nc1nc(co1)[*:1])c1cccs1
CCNC(=O)c1coc(NC(=O)c2cccs2)n1 c1csc(c1)[*:1] CCNC(=O)c1coc(n1)NC(=O)[*:1]
O=C(CSc1cccs1)NCCc1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(CSc1cccs1)NCC[*:1]
O=C(CSc1cccs1)NCCc1ccc(Br)s1 c1csc(c1)[*:1] O=C(CS[*:1])NCCc1ccc(Br)s1
O=C(CSc1cccs1)NCCc1ccc(Br)s1 c1csc(c1)S[*:1] O=C(C[*:1])NCCc1ccc(Br)s1
COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C COC(=O)[*:1] CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(cc1)C(F)(F)F)[*:1]
COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C CC(C)(C)[*:1] COC(=O)[C@H](NS(=O)(=O)c1ccc(cc1)C(F)(F)F)[*:1]
COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C FC(F)(F)[*:1] COC(=O)[C@H](NS(=O)(=O)c1ccc(cc1)[*:1])C(C)(C)C
C[C@H](NC(=O)CNc1ccccc1OC(F)(F)F)c1ccc(F)cc1F FC(F)(F)[*:1] C[C@H](NC(=O)CNc1ccccc1O[*:1])c1ccc(F)cc1F
C[C@H](NC(=O)CNc1ccccc1OC(F)(F)F)c1ccc(F)cc1F FC(F)(F)O[*:1] C[C@H](NC(=O)CNc1ccccc1[*:1])c1ccc(F)cc1F
C[C@H](NC(=O)CNc1ccccc1OC(F)(F)F)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H](NC(=O)CNc1ccccc1OC(F)(F)F)[*:1]
O=c1c2ccccc2cnn1Cc1ccccc1 c1ccc(cc1)[*:1] O=c1c2ccccc2cnn1C[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)N1CCC[C@@H](C1)[NH+]1CCCC1)O[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 Cc1cccc(c1)O[*:1] C[C@@H](CNC(=O)N1CCC[C@@H](C1)[NH+]1CCCC1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cc(ccc1Cl)S(C)(=O)=O
CN(Cc1ccc(F)cc1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] CN(Cc1ccc(F)cc1)C(=O)c1cc(ccc1Cl)[*:1]
CC[C@@H](COC)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 CC[C@@H](COC)[*:1] O=C(N[*:1])C1(CCOCC1)c1ccc(F)cc1F
CC[C@@H](COC)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 COC[*:1] CC[C@@H](NC(=O)C1(CCOCC1)c1ccc(F)cc1F)[*:1]
CC[C@H]1CCC[C@@H](NC(=O)c2csc(C#CCCO)c2)C1 OCC[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)c1csc(C#C[*:1])c1
CC[C@H]1CCC[C@@H](NC(=O)c2csc(C#CCCO)c2)C1 OCCC#C[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)c1csc(c1)[*:1]
Cc1cccc(OCc2nnc(SCc3cc(F)cc4cccnc34)o2)c1 Cc1cccc(c1)[*:1] Fc1cc(CSc2nnc(CO[*:1])o2)c2ncccc2c1
Cc1cccc(OCc2nnc(SCc3cc(F)cc4cccnc34)o2)c1 Cc1cccc(c1)O[*:1] Fc1cc(CSc2nnc(C[*:1])o2)c2ncccc2c1
Cc1cccc(OCc2nnc(SCc3cc(F)cc4cccnc34)o2)c1 Cc1cccc(c1)OC[*:1] Fc1cc(CSc2nnc(o2)[*:1])c2ncccc2c1
Cc1ccc(SCCNC(=O)COc2cc(C)on2)cc1 Cc1cc(no1)O[*:1] Cc1ccc(cc1)SCCNC(=O)C[*:1]
Cc1ccc(SCCNC(=O)COc2cc(C)on2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)SCCNC(=O)CO[*:1]
Cc1ccc(SCCNC(=O)COc2cc(C)on2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(no1)OCC(=O)NCCS[*:1]
C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(cc1)O[*:1]
C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(cc1)[*:1]
O=C1[C@@H](c2ccccc2)NC(=S)N1C1CCCCC1 c1ccc(cc1)[*:1] O=C1[C@@H](NC(=S)N1C1CCCCC1)[*:1]
O=C1[C@@H](c2ccccc2)NC(=S)N1C1CCCCC1 C1CCC(CC1)[*:1] O=C1[C@H](NC(=S)N1[*:1])c1ccccc1
CC(C)(C)C(=O)CSc1nnc(-c2cnccn2)s1 CC(C)(C)C(=O)[*:1] c1cnc(cn1)-c1nnc(SC[*:1])s1
CC(C)(C)C(=O)CSc1nnc(-c2cnccn2)s1 c1cnc(cn1)[*:1] CC(C)(C)C(=O)CSc1nnc(s1)[*:1]
CC(C)(C)C(=O)CSc1nnc(-c2cnccn2)s1 CC(C)(C)[*:1] O=C(CSc1nnc(s1)-c1cnccn1)[*:1]
CN1C[C@H](NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CCC1=O FC(F)(F)[*:1] CN1C[C@@H](CCC1=O)NC(=O)N[C@H]1CCC[C@@H]1c1ccccc1[*:1]
CN1C[C@H](NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CCC1=O CN1C[C@H](CCC1=O)[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)N[*:1]
Cn1nccc1CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cn1nccc1CNC(=O)Nc1cnn(c1)[*:1]
Cn1nccc1CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 Cn1nccc1[*:1] O=C(NC[*:1])Nc1cnn(c1)C[C@H]1CCCO1
Cn1nccc1CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 Cn1nccc1C[*:1] O=C(Nc1cnn(c1)C[C@H]1CCCO1)N[*:1]
Cn1nccc1CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cn1nccc1CNC(=O)Nc1cnn(c1)C[*:1]
COc1cc2cc(C(=O)[O-])n(Cc3ccccc3)c2c(OC)c1OC c1ccc(cc1)[*:1] COc1cc2cc(C(=O)[O-])n(C[*:1])c2c(OC)c1OC
COc1cc2cc(C(=O)[O-])n(Cc3ccccc3)c2c(OC)c1OC O=C([O-])[*:1] COc1cc2cc(n(Cc3ccccc3)c2c(OC)c1OC)[*:1]
COc1cc2cc(C(=O)[O-])n(Cc3ccccc3)c2c(OC)c1OC c1ccc(cc1)C[*:1] COc1cc2cc(C(=O)[O-])n(c2c(OC)c1OC)[*:1]
COCCC(=O)NCCc1ncc(C)s1 COCC[*:1] Cc1cnc(CCNC(=O)[*:1])s1
COCCC(=O)NCCc1ncc(C)s1 COC[*:1] Cc1cnc(CCNC(=O)C[*:1])s1
CN(C(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)OCc1cn2ccccc2n1)[*:1]
CN(C(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccccc1 c1ccn2cc(nc2c1)[*:1] CN(C(=O)c1ccc(cc1)OC[*:1])c1ccccc1
CO[C@H](C(=O)[O-])c1ccc2ccccc2c1 O=C([O-])[*:1] CO[C@H](c1ccc2ccccc2c1)[*:1]
Cc1c(NC(=O)CN2CCCc3ccccc32)cccc1NC(=O)C1CC1 O=C(N[*:1])C1CC1 Cc1c(cccc1[*:1])NC(=O)CN1CCCc2ccccc21
Cc1c(NC(=O)CN2CCCc3ccccc32)cccc1NC(=O)C1CC1 C1CC1[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)CN1CCCc2ccccc21
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 CC(C)C(=O)N[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 CC(C)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cccc(c1)NC(=O)[*:1]
Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccnc(N3CCCC3)n1)C2 C1CCN(C1)[*:1] Cc1cn2C[C@H](CCc2[nH+]1)NC(=O)c1ccnc(n1)[*:1]
CC(=O)C(/C=N/[C@@H]1CCCCNC1=O)C(C)=O CC(=O)[*:1] CC(=O)C(/C=N/[C@@H]1CCCCNC1=O)[*:1]
CN(c1ccccc1)S(=O)(=O)c1cncc(F)c1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1cncc(F)c1)[*:1]
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1Cl Cc1nc(cn1C)[*:1] Cc1ccc(cc1Cl)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1nc(cn1C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC1(C)Cc2ccccc2-c2nc(NN)n(Cc3ccccc3)c(=O)c21 c1ccc(cc1)C[*:1] CC1(C)Cc2ccccc2-c2nc(NN)n(c(=O)c21)[*:1]
CC1(C)Cc2ccccc2-c2nc(NN)n(Cc3ccccc3)c(=O)c21 c1ccc(cc1)[*:1] CC1(C)Cc2ccccc2-c2nc(NN)n(C[*:1])c(=O)c21
Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]2C(=O)[O-])c1=O O=C([O-])[*:1] Cn1c(=O)ccn(CC(=O)N2CCC[C@H]2[*:1])c1=O
CCCn1ccn(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=S CCC[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N1CCN(CC1)Cn1ccn(c1=S)[*:1]
CCCn1ccn(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=S O=[N+]([O-])c1cccc(c1)[*:1] CCCn1ccn(CN2CCN(CC2)S(=O)(=O)[*:1])c1=S
CCCn1ccn(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=S O=[N+]([O-])[*:1] CCCn1ccn(CN2CCN(CC2)S(=O)(=O)c2cccc(c2)[*:1])c1=S
CC(C)N(C)c1ccc(N[C@@H](C)c2ccoc2)cc1F c1cc(co1)[*:1] CC(C)N(C)c1ccc(cc1F)N[C@@H](C)[*:1]
CC(C)N(C)c1ccc(N[C@@H](C)c2ccoc2)cc1F CC(C)N(C)[*:1] C[C@H](Nc1ccc(c(F)c1)[*:1])c1ccoc1
CC(C)N(C)c1ccc(N[C@@H](C)c2ccoc2)cc1F CC(C)[*:1] C[C@H](Nc1ccc(c(F)c1)N(C)[*:1])c1ccoc1
Cc1cccc(C(=O)N(C[C@H]2C=c3cc(C)ccc3=[NH+]C2=O)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)C(=O)N(C[C@H]1C=c2cc(C)ccc2=[NH+]C1=O)[*:1]
Cc1cccc(C(=O)N(C[C@H]2C=c3cc(C)ccc3=[NH+]C2=O)C(C)(C)C)c1 Cc1cccc(c1)[*:1] Cc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C(=O)[*:1])C(C)(C)C
C[C@H]1CN(C)c2ccccc2CN1C(=O)NCCOc1cccnc1 c1cncc(c1)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)NCCO[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)NCCOc1cccnc1 c1cncc(c1)O[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)NCC[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)NCCOc1cccnc1 c1cncc(c1)OC[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)NC[*:1]
CNc1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CNc1cccc(c1)[*:1]
C[C@H]1CCC[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1CCC[C@@H](C1)N(C)C(=O)c1ccccc1[*:1]
CN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1cccc(F)c1 c1coc(c1)[*:1] CN1C(=O)C([O-])=C(C(=O)C=C[*:1])[C@H]1c1cccc(F)c1
CN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@@H]1[*:1]
CN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1cccc(F)c1 C(=C[*:1])c1ccco1 CN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccc(F)c1
N#Cc1c(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)sc2c1CCCC2 Clc1cnn(c1)C[*:1] N#Cc1c(NC(=O)c2ccc(o2)[*:1])sc2CCCCc21
N#Cc1c(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)sc2c1CCCC2 Clc1cnn(c1)[*:1] N#Cc1c(NC(=O)c2ccc(C[*:1])o2)sc2CCCCc21
COc1cc(F)cc(CNC(=O)N2CCO[C@@H](c3ccccc3F)C2)c1 Fc1ccccc1[*:1] COc1cc(F)cc(c1)CNC(=O)N1CCO[C@@H](C1)[*:1]
CC[C@]1(C)CN(CCSc2ccccc2)[C@H](C)CC[NH2+]1 c1ccc(cc1)[*:1] CC[C@]1(C)CN(CCS[*:1])[C@H](C)CC[NH2+]1
COCCN(C(=O)c1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 COc1ccc(cc1)[*:1] COCCN(C(=O)c1ccccc1)c1nc(cs1)[*:1]
COCCN(C(=O)c1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 COCC[*:1] COc1ccc(cc1)-c1csc(n1)N(C(=O)c1ccccc1)[*:1]
COCCN(C(=O)c1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 c1ccc(cc1)[*:1] COCCN(C(=O)[*:1])c1nc(cs1)-c1ccc(cc1)OC
COCCN(C(=O)c1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 COC[*:1] COc1ccc(cc1)-c1csc(n1)N(C[*:1])C(=O)c1ccccc1
N#Cc1ccc(N2CC[C@H](N3CCN(c4ncccc4F)CC3)C2=O)cc1 Fc1cccnc1[*:1] N#Cc1ccc(cc1)N1CC[C@@H](C1=O)N1CCN(CC1)[*:1]
N#Cc1ccc(N2CC[C@H](N3CCN(c4ncccc4F)CC3)C2=O)cc1 N#Cc1ccc(cc1)[*:1] O=C1[C@H](CCN1[*:1])N1CCN(CC1)c1ncccc1F
O=C(NC[C@H](O)c1ccco1)c1cccnc1 c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])c1cccnc1
CO[C@@H](C)c1nc(NN)cc(C(C)C)n1 CO[C@@H](C)[*:1] CC(C)c1cc(nc(n1)[*:1])NN
CO[C@@H](C)c1nc(NN)cc(C(C)C)n1 CC(C)[*:1] CO[C@@H](C)c1nc(cc(n1)[*:1])NN
Cc1cscc1[C@H](O)[C@H](C[NH3+])c1ccc(F)cc1 Cc1cscc1[*:1] [NH3+]C[C@H](c1ccc(F)cc1)[C@@H](O)[*:1]
N/C(N[C@@H]1CCOc2ccccc21)=[NH+]\C[C@H](O)Cc1ccccc1 c1ccc(cc1)C[*:1] N/C(N[C@@H]1CCOc2ccccc21)=[NH+]\C[C@H](O)[*:1]
N/C(N[C@@H]1CCOc2ccccc21)=[NH+]\C[C@H](O)Cc1ccccc1 c1ccc(cc1)[*:1] N/C(N[C@@H]1CCOc2ccccc21)=[NH+]\C[C@H](O)C[*:1]
C[C@H](NC(=O)NCc1cn(-c2ccccc2)nn1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)NCc1cn(nn1)-c1ccccc1)[*:1]
C[C@H](NC(=O)NCc1cn(-c2ccccc2)nn1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCc1cn(nn1)[*:1])[C@@H]1CCCO1
N#Cc1cccc(CN[C@@H](Cn2cncn2)c2ccccc2)c1 c1ncn(n1)[*:1] N#Cc1cccc(c1)CN[C@@H](C[*:1])c1ccccc1
N#Cc1cccc(CN[C@@H](Cn2cncn2)c2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)CN[C@@H](Cn1cncn1)[*:1]
N#Cc1cccc(CN[C@@H](Cn2cncn2)c2ccccc2)c1 c1ncn(C[*:1])n1 N#Cc1cccc(c1)CN[C@@H](c1ccccc1)[*:1]
CC(C)SCc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)c1 CC(C)[*:1] O=C(Nc1cccc(c1)CS[*:1])N[C@H]1CCCC[C@@H]1CO
CC(C)SCc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)c1 CC(C)SC[*:1] O=C(Nc1cccc(c1)[*:1])N[C@H]1CCCC[C@@H]1CO
CC(C)SCc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)c1 CC(C)S[*:1] O=C(Nc1cccc(c1)C[*:1])N[C@H]1CCCC[C@@H]1CO
CCc1ccsc1-c1cnc([C@H](C)Cl)o1 C[C@H](Cl)[*:1] CCc1ccsc1-c1cnc(o1)[*:1]
CCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)ccc1=O CCC[*:1] NC(=O)c1c(NC(=O)c2ccc(=O)n(n2)[*:1])sc2CCCCCc21
CCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)ccc1=O NC(=O)[*:1] CCCn1nc(ccc1=O)C(=O)Nc1sc2CCCCCc2c1[*:1]
C[C@H]([NH2+][C@H](C)Cn1ncc2ccccc2c1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)Cn1ncc2ccccc2c1=O)[*:1]
COC(=O)N1CCc2ccc(Br)cc2[C@H]1C(=O)Nc1cccc(C(C)=O)c1 CC(=O)c1cccc(c1)[*:1] COC(=O)N1CCc2ccc(Br)cc2[C@H]1C(=O)N[*:1]
COC(=O)N1CCc2ccc(Br)cc2[C@H]1C(=O)Nc1cccc(C(C)=O)c1 CC(=O)[*:1] COC(=O)N1CCc2ccc(Br)cc2[C@H]1C(=O)Nc1cccc(c1)[*:1]
CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc(C)cc1 CS(=O)(=O)N[*:1] CCC(=O)N1N=C(C[C@@H]1c1ccc(C)cc1)c1ccc(cc1)[*:1]
CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCC(=O)N1N=C(C[C@H]1[*:1])c1ccc(cc1)NS(C)(=O)=O
CNC(=O)c1ccc(Cl)c(NC(=O)CCCOc2ccccc2)c1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)CCCO[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)CCCOc2ccccc2)c1 CNC(=O)[*:1] O=C(CCCOc1ccccc1)Nc1cc(ccc1Cl)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)CCCOc2ccccc2)c1 c1ccc(cc1)OC[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)CC[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)CCCOc2ccccc2)c1 c1ccc(cc1)O[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)CCC[*:1]
Cc1ccc(-n2ncc(C(=O)Nc3ccccc3F)c2C2CC[NH2+]CC2)cc1C Fc1ccccc1[*:1] Cc1ccc(cc1C)-n1ncc(C(=O)N[*:1])c1C1CC[NH2+]CC1
Cc1ccc(-n2ncc(C(=O)Nc3ccccc3F)c2C2CC[NH2+]CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1ccccc1F)c1cnn(c1C1CC[NH2+]CC1)[*:1]
C=CCC/C([O-])=N/S(=O)(=O)c1cccs1 c1csc(c1)[*:1] C=CCC/C([O-])=N/S(=O)(=O)[*:1]
C=CCC/C([O-])=N/S(=O)(=O)c1cccs1 C=CCC[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1cccs1
C=CCC/C([O-])=N/S(=O)(=O)c1cccs1 C=CC[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1cccs1
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C)o2)N3)C1 Cc1ccc(o1)[*:1] CCOC(=O)N1CCc2c(C1)sc1N[C@H](NC(=O)c12)[*:1]
O=C(C1CCC1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 c1ccc(cc1)[*:1] O=C(C1CCC1)N1CCN(CC1)c1cnn(c(=O)c1Cl)[*:1]
O=C(C1CCC1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 C1CC(C1)[*:1] O=C(N1CCN(CC1)c1cnn(-c2ccccc2)c(=O)c1Cl)[*:1]
CCCC[C@@H](C(=O)OC)[C@H](O)c1ccc(Br)cc1F CCCC[*:1] COC(=O)[C@@H]([C@H](O)c1ccc(Br)cc1F)[*:1]
CCCC[C@@H](C(=O)OC)[C@H](O)c1ccc(Br)cc1F CCC[*:1] COC(=O)[C@H](C[*:1])[C@H](O)c1ccc(Br)cc1F
CCCC[C@@H](C(=O)OC)[C@H](O)c1ccc(Br)cc1F COC(=O)[*:1] CCCC[C@@H]([C@H](O)c1ccc(Br)cc1F)[*:1]
CC[C@H](C)N(CCOC)c1cncc(C[NH3+])n1 COC[*:1] CC[C@H](C)N(C[*:1])c1cncc(C[NH3+])n1
CC[C@H](C)N(CCOC)c1cncc(C[NH3+])n1 CC[C@H](C)[*:1] COCCN(c1cncc(C[NH3+])n1)[*:1]
CC[C@H](C)N(CCOC)c1cncc(C[NH3+])n1 COCC[*:1] CC[C@H](C)N(c1cncc(C[NH3+])n1)[*:1]
CC(C)[C@@H](C)CC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 CC(C)[C@@H](C)C[*:1] CC(C)[C@H](CNC(=O)[*:1])N1CC[NH+](C)CC1
CC(C)[C@@H](C)CC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 CC(C)[*:1] CC(C)[C@@H](C)CC(=O)NC[C@@H](N1CC[NH+](C)CC1)[*:1]
CC(C)[C@@H](C)CC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 CC(C)[C@@H](C)[*:1] CC(C)[C@H](CNC(=O)C[*:1])N1CC[NH+](C)CC1
CC(C)[C@@H](C)CC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 CC(C)[*:1] CC(C)[C@H](CNC(=O)C[C@H](C)[*:1])N1CC[NH+](C)CC1
CN(Cc1nc2ccccc2n1C)C(=O)c1cnc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] CN(Cc1nc2ccccc2n1C)C(=O)c1cnc([nH]c1=O)[*:1]
O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1 c1coc(c1)[*:1] O=C(Nc1nnc(s1)[*:1])c1ccccc1
O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)-c1ccco1)[*:1]
CC(C)c1nn(C)c(Cl)c1[C@@H](O)c1occc1Br CC(C)[*:1] Cn1nc(c(c1Cl)[C@@H](O)c1occc1Br)[*:1]
CC(C)c1nn(C)c(Cl)c1[C@@H](O)c1occc1Br Brc1ccoc1[*:1] CC(C)c1nn(C)c(Cl)c1[C@@H](O)[*:1]
C[C@@H](CNC(=O)NC[C@H]1CCCN(c2ncccn2)C1)Sc1ccccc1 c1ccc(cc1)S[*:1] C[C@@H](CNC(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
C[C@@H](CNC(=O)NC[C@H]1CCCN(c2ncccn2)C1)Sc1ccccc1 C[C@@H](Sc1ccccc1)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)NC[*:1]
C[C@@H](CNC(=O)NC[C@H]1CCCN(c2ncccn2)C1)Sc1ccccc1 c1cnc(nc1)[*:1] C[C@@H](CNC(=O)NC[C@H]1CCCN(C1)[*:1])Sc1ccccc1
C[C@@H](CNC(=O)NC[C@H]1CCCN(c2ncccn2)C1)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NC[C@H]1CCCN(C1)c1ncccn1)S[*:1]
CCOC(=O)C1(c2n[nH]c(-c3cccs3)n2)CCCC1 CCOC(=O)[*:1] c1csc(c1)-c1nc(n[nH]1)C1(CCCC1)[*:1]
CCOC(=O)C1(c2n[nH]c(-c3cccs3)n2)CCCC1 c1csc(c1)[*:1] CCOC(=O)C1(CCCC1)c1n[nH]c(n1)[*:1]
CC[C@H](CC[NH3+])CNc1nccs1 [NH3+]CC[*:1] CC[C@H](CNc1nccs1)[*:1]
Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)[O-])CC2)cc1Cl O=C([O-])[*:1] Cc1ccc(cc1Cl)NC(=O)C[NH+]1CCC(CC1)[*:1]
O=C(CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(c1cc2CCCCCc2s1)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(c1cc2CCCCCc2s1)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)C(=O)c1cc2CCCCCc2s1)N[*:1]
Cc1ccc(C(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCCC[C@H]1C
C[C@H](CO)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] C[C@H](CO)[C@@H](C)Nc1ccc(cc1)[*:1]
C[C@H](CO)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] C[C@H](CO)[C@@H](C)Nc1ccc(cc1)S(=O)(=O)[*:1]
C[C@H](CO)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1 C[C@H](CO)[*:1] C[C@@H](Nc1ccc(cc1)S(=O)(=O)C(F)F)[*:1]
Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cc(-n3cnnc3)ccc2Cl)cc1 O=c1[nH]c2ccccc2cc1[*:1] Cc1ccc(cc1)N(C[*:1])C(=O)c1cc(ccc1Cl)-n1cnnc1
Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cc(-n3cnnc3)ccc2Cl)cc1 c1nncn1[*:1] Cc1ccc(cc1)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cc(ccc1Cl)[*:1]
Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cc(-n3cnnc3)ccc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc(ccc1Cl)-n1cnnc1)N(Cc1cc2ccccc2[nH]c1=O)[*:1]
O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc([N+](=O)[O-])cc1 c1csc(c1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)Nc1ccc(cc1)[N+](=O)[O-]
O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc(cc1)[*:1]
Cc1cccc(-n2nnnc2SCC(=O)c2c(C)[nH]c3ccccc23)c1 Cc1cccc(c1)[*:1] Cc1[nH]c2ccccc2c1C(=O)CSc1nnnn1[*:1]
O=C([O-])c1ccc(CSCc2ccccc2Cl)o1 O=C([O-])[*:1] Clc1ccccc1CSCc1ccc(o1)[*:1]
C[C@H](NC(=O)CSc1nc2c(cc1C#N)CN(C)CC2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nc2CCN(C)Cc2cc1C#N)[*:1]
C[C@H](NC(=O)CSc1nc2c(cc1C#N)CN(C)CC2)c1ccccc1 C[C@H](c1ccccc1)[*:1] CN1CCc2nc(SCC(=O)N[*:1])c(C#N)cc2C1
Cc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)sc1C#CCCO C[C@@H](C(C)(C)C)[*:1] Cc1cc(sc1C#CCCO)C(=O)N(C)[*:1]
Cc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)sc1C#CCCO CC(C)(C)[*:1] Cc1cc(sc1C#CCCO)C(=O)N(C)[C@@H](C)[*:1]
Cc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)sc1C#CCCO OCC[*:1] Cc1cc(sc1C#C[*:1])C(=O)N(C)[C@@H](C)C(C)(C)C
Cc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)sc1C#CCCO OCCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N(C)[C@@H](C)C(C)(C)C
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC(C)(C)C)cc2)[nH]1 CC(C)(C)NC(=O)[*:1] COC(=O)Cc1cc(=O)n([nH]1)-c1ccc(cc1)[*:1]
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC(C)(C)C)cc2)[nH]1 COC(=O)C[*:1] CC(C)(C)NC(=O)c1ccc(cc1)-n1[nH]c(cc1=O)[*:1]
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC(C)(C)C)cc2)[nH]1 CC(C)(C)[*:1] COC(=O)Cc1cc(=O)n([nH]1)-c1ccc(cc1)C(=O)N[*:1]
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC(C)(C)C)cc2)[nH]1 COC(=O)[*:1] CC(C)(C)NC(=O)c1ccc(cc1)-n1[nH]c(cc1=O)C[*:1]
COCC(=O)N1CCN(C(=O)c2cc3ccsc3n2Cc2ccccc2C)C[C@@H]1C Cc1ccccc1C[*:1] COCC(=O)N1CCN(C[C@@H]1C)C(=O)c1cc2ccsc2n1[*:1]
COCC(=O)N1CCN(C(=O)c2cc3ccsc3n2Cc2ccccc2C)C[C@@H]1C Cc1ccccc1[*:1] COCC(=O)N1CCN(C[C@@H]1C)C(=O)c1cc2ccsc2n1C[*:1]
COCC(=O)N1CCN(C(=O)c2cc3ccsc3n2Cc2ccccc2C)C[C@@H]1C COC[*:1] Cc1ccccc1Cn1c(cc2ccsc21)C(=O)N1CCN(C(=O)[*:1])[C@@H](C)C1
COc1cc(NC(=O)NCCCSC)c(OC)cc1Cl CSCC[*:1] COc1cc(NC(=O)NC[*:1])c(cc1Cl)OC
COc1cc(NC(=O)NCCCSC)c(OC)cc1Cl CSCCC[*:1] COc1cc(NC(=O)N[*:1])c(cc1Cl)OC
COc1cc(NC(=O)NCCCSC)c(OC)cc1Cl CSC[*:1] COc1cc(NC(=O)NCC[*:1])c(cc1Cl)OC
COc1ccc(NC(=O)c2ccccc2F)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])NC(=O)c1ccccc1F
COc1ccc(NC(=O)c2ccccc2F)cc1NC(C)=O Fc1ccccc1[*:1] COc1ccc(cc1NC(C)=O)NC(=O)[*:1]
COc1ccc(NC(=O)NC[C@@H](C)C[C@H](C)O)cc1OC C[C@H](O)C[*:1] COc1ccc(cc1OC)NC(=O)NC[C@@H](C)[*:1]
COc1ccc(NC(=O)NC[C@@H](C)C[C@H](C)O)cc1OC C[C@H](O)[*:1] COc1ccc(cc1OC)NC(=O)NC[C@@H](C)C[*:1]
CNC(=O)/C(C#N)=c1/s/c(=C\c2c(F)cccc2Cl)c(=O)n1CCOC Fc1cccc(Cl)c1[*:1] CNC(=O)/C(C#N)=c1/sc(=C[*:1])c(=O)n1CCOC
CNC(=O)/C(C#N)=c1/s/c(=C\c2c(F)cccc2Cl)c(=O)n1CCOC CNC(=O)[*:1] COCCn1c(=O)/c(=C/c2c(F)cccc2Cl)sc1=C(C#N)[*:1]
CNC(=O)/C(C#N)=c1/s/c(=C\c2c(F)cccc2Cl)c(=O)n1CCOC COC[*:1] CNC(=O)/C(C#N)=c1/s/c(=C\c2c(F)cccc2Cl)c(=O)n1C[*:1]
CNC(=O)/C(C#N)=c1/s/c(=C\c2c(F)cccc2Cl)c(=O)n1CCOC COCC[*:1] CNC(=O)/C(C#N)=c1/s/c(=C\c2c(F)cccc2Cl)c(=O)n1[*:1]
O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)Nc1cc(Cl)ccc1O c1coc(c1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)Nc1cc(Cl)ccc1O
O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)Nc1cc(Cl)ccc1O Oc1ccc(Cl)cc1[*:1] O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N[*:1]
CCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4)CC3)C2=O)cc1 c1ccc(cc1)[*:1] CCCOc1ccc(cc1)N1C(=O)C[C@@H](C1=O)N1CCN(CC1)[*:1]
CCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4)CC3)C2=O)cc1 CCC[*:1] O=C1C[C@@H](C(=O)N1c1ccc(cc1)O[*:1])N1CCN(CC1)c1ccccc1
CCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4)CC3)C2=O)cc1 CCCO[*:1] O=C1C[C@@H](C(=O)N1c1ccc(cc1)[*:1])N1CCN(CC1)c1ccccc1
Cc1c(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)oc2ccc(F)cc12 FC(F)(F)C[*:1] Cc1c(C[NH2+][C@H]2CCN(C2)[*:1])oc2ccc(F)cc12
Cc1c(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)oc2ccc(F)cc12 FC(F)(F)[*:1] Cc1c(C[NH2+][C@H]2CCN(C2)C[*:1])oc2ccc(F)cc12
CS[C@@H](C)C(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] CS[C@@H](C)C(=O)Nc1cc(ccc1C)[*:1]
CS[C@@H](C)C(=O)Nc1cc(-c2ncco2)ccc1C CS[C@@H](C)[*:1] Cc1ccc(cc1NC(=O)[*:1])-c1ncco1
COc1cc(OC)c2nc(C(F)(F)F)cc(Cl)c2c1 FC(F)(F)[*:1] COc1cc(OC)c2nc(cc(Cl)c2c1)[*:1]
COc1ccc(-c2cc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)on2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc2oc(C(=O)Nc3cc(no3)[*:1])c(C)c2cc1Cl
O=C(Cc1ccc(Cl)cc1)NNC(=S)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(Cc1ccc(Cl)cc1)NNC(=S)N[*:1]
O=C(Cc1ccc(Cl)cc1)NNC(=S)Nc1cccc(Br)c1 Clc1ccc(cc1)[*:1] O=C(C[*:1])NNC(=S)Nc1cccc(Br)c1
COC(=O)C(C)(C)NCC(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] COC(=O)C(C)(C)NCC(=O)N(C)C[*:1]
COC(=O)C(C)(C)NCC(=O)N(C)Cc1ccc(Cl)s1 COC(=O)[*:1] CN(Cc1ccc(Cl)s1)C(=O)CNC(C)(C)[*:1]
CCCN[C@H](c1cc(F)ccc1F)C(OC)OC CCCN[*:1] COC(OC)[C@@H](c1cc(F)ccc1F)[*:1]
CCCN[C@H](c1cc(F)ccc1F)C(OC)OC CCC[*:1] COC(OC)[C@H](N[*:1])c1cc(F)ccc1F
CCCN[C@H](c1cc(F)ccc1F)C(OC)OC COC(OC)[*:1] CCCN[C@H](c1cc(F)ccc1F)[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)NC2(C(N)=O)CCCC2)CC1=O c1ccc(cc1)[*:1] C[C@@H](N1C[C@@H](CC1=O)C(=O)NC1(CCCC1)C(N)=O)[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)NC2(C(N)=O)CCCC2)CC1=O NC(=O)[*:1] C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)NC1(CCCC1)[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)NC2(C(N)=O)CCCC2)CC1=O C[C@@H](c1ccccc1)[*:1] NC(=O)C1(CCCC1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)NC2(C(N)=O)CCCC2)CC1=O NC(=O)C1(CCCC1)[*:1] C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CN(C)C(=O)c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1cnc(nc1Sc1cccc(c1)C(F)(F)F)[*:1]
CN(C)C(=O)c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CN(C)C(=O)c1cnc(nc1Sc1cccc(c1)[*:1])-c1ccccc1
CN(C)C(=O)c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1 CN(C)C(=O)[*:1] FC(F)(F)c1cccc(c1)Sc1nc(ncc1[*:1])-c1ccccc1
CNC(=O)[C@@H](C#N)C(=O)CCc1cccc(OC2CCCC2)c1 CNC(=O)[*:1] N#C[C@@H](C(=O)CCc1cccc(c1)OC1CCCC1)[*:1]
CNC(=O)[C@@H](C#N)C(=O)CCc1cccc(OC2CCCC2)c1 C1CCC(C1)[*:1] CNC(=O)[C@@H](C#N)C(=O)CCc1cccc(c1)O[*:1]
CNC(=O)[C@@H](C#N)C(=O)CCc1cccc(OC2CCCC2)c1 C1CCC(C1)O[*:1] CNC(=O)[C@@H](C#N)C(=O)CCc1cccc(c1)[*:1]
C[C@@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1CCCc2ccccc21 O=S1(=O)CCCN1[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])C(=O)N1CCCc2ccccc21
CCCCn1nccc1NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C CN(C)S(=O)(=O)[*:1] CCCCn1nccc1NC(=O)c1cc(oc1C)[*:1]
CCCCn1nccc1NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C CCCC[*:1] Cc1oc(cc1C(=O)Nc1ccnn1[*:1])S(=O)(=O)N(C)C
CCCCn1nccc1NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C CCC[*:1] Cc1oc(cc1C(=O)Nc1ccnn1C[*:1])S(=O)(=O)N(C)C
CSCc1ccnc(NC[C@](C)(O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CSCc1ccnc(c1)NC[C@](C)(O)[*:1]
CSCc1ccnc(NC[C@](C)(O)c2ccc(F)cc2)c1 CSC[*:1] C[C@](O)(CNc1cc(ccn1)[*:1])c1ccc(F)cc1
CC(C)[NH+]1CCC2(CC1)CNC(=N)N2c1ccccc1Cl Clc1ccccc1[*:1] CC(C)[NH+]1CCC2(CC1)CNC(=N)N2[*:1]
CC(C)[NH+]1CCC2(CC1)CNC(=N)N2c1ccccc1Cl CC(C)[*:1] N=C1NCC2(CC[NH+](CC2)[*:1])N1c1ccccc1Cl
CN(CCCS(C)(=O)=O)C(=O)CC1(O)CCCCC1 CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)CC1(O)CCCCC1
CN(CCCS(C)(=O)=O)C(=O)CC1(O)CCCCC1 CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)CC1(O)CCCCC1
CN(CCCS(C)(=O)=O)C(=O)CC1(O)CCCCC1 CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)CC1(O)CCCCC1
[NH3+][C@@H]1CCC[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 O=[N+]([O-])[*:1] [NH3+][C@@H]1CCC[C@@H]1Nc1nc2cc(ccc2[nH]1)[*:1]
O=C(N[C@H]1CCCCC[C@H]1C(=O)[O-])c1cc(F)ccc1Br O=C([O-])[*:1] O=C(N[C@H]1CCCCC[C@@H]1[*:1])c1cc(F)ccc1Br
COc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)CCNS(=O)(=O)[*:1]
COc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 COc1ccccc1[*:1] O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCN(CC1)[*:1]
COc1ccc2cc(/C=C3\C(=O)NC(=S)N3C(C)=O)c(N3CCOCC3)[nH+]c2c1 C1CN(CCO1)[*:1] COc1ccc2cc(/C=C3\C(=O)NC(=S)N3C(C)=O)c([nH+]c2c1)[*:1]
CCCC[NH2+][C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CCCC[NH2+][C@@H]1CC[C@H](C1)NC(=O)O[*:1]
CCCC[NH2+][C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 CCC[*:1] CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+]C[*:1]
CCCC[NH2+][C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 CCCC[*:1] CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)[NH2+][*:1]
CCC(=O)NCC(=O)Nc1ccc(C(C)=O)c(C)c1 CCC(=O)N[*:1] CC(=O)c1ccc(cc1C)NC(=O)C[*:1]
CCC(=O)NCC(=O)Nc1ccc(C(C)=O)c(C)c1 CCC(=O)NC[*:1] CC(=O)c1ccc(cc1C)NC(=O)[*:1]
CCC(=O)NCC(=O)Nc1ccc(C(C)=O)c(C)c1 CC(=O)[*:1] CCC(=O)NCC(=O)Nc1ccc(c(C)c1)[*:1]
Cc1ccc([C@H]([NH2+]Cc2ncn(C)n2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H]([NH2+]Cc1ncn(C)n1)[*:1]
Cc1ccc([C@H]([NH2+]Cc2ncn(C)n2)C2CC2)cc1 Cn1cnc(n1)[*:1] Cc1ccc(cc1)[C@H]([NH2+]C[*:1])C1CC1
C[C@@H]1O[C@@H](Nc2cccc([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@@H]1O O=[N+]([O-])[*:1] C[C@@H]1O[C@@H](Nc2cccc(c2)[*:1])[C@@H](O)[C@@H](O)[C@@H]1O
c1ccc([C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C2CCCC2)cc1 c1ccc(cc1)[*:1] c1cnnc(c1)N1CCC[C@H](C1)[NH2+][C@H](C1CCCC1)[*:1]
c1ccc([C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C2CCCC2)cc1 C1CCC(C1)[*:1] c1ccc(cc1)[C@H]([NH2+][C@@H]1CCCN(C1)c1cccnn1)[*:1]
c1ccc([C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C2CCCC2)cc1 c1cnnc(c1)[*:1] c1ccc(cc1)[C@H]([NH2+][C@@H]1CCCN(C1)[*:1])C1CCCC1
NC(=O)[C@H]1CN(C(=O)c2cc3cccc(Cl)c3o2)CCO1 NC(=O)[*:1] O=C(c1cc2cccc(Cl)c2o1)N1CCO[C@H](C1)[*:1]
COc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(OC)c1 Clc1ccc(C[*:1])c(Cl)c1 COc1ccc(NC(=O)N2CCN(CC2)[*:1])c(c1)OC
COc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(OC)c1 Clc1ccc(c(Cl)c1)[*:1] COc1ccc(NC(=O)N2CCN(CC2)C[*:1])c(c1)OC
CCCc1cc(NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)n(C)n1 CCC[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1cc(nn1C)[*:1]
COc1ccc(C(=O)NCC(C)(C)c2ccc(C)cc2)c(OC)c1OC Cc1ccc(cc1)[*:1] COc1ccc(C(=O)NCC(C)(C)[*:1])c(OC)c1OC
CC(=O)N(C)c1cccc(Nc2snc(Cl)c2C#N)c1 CC(=O)N(C)[*:1] N#Cc1c(Cl)nsc1Nc1cccc(c1)[*:1]
C[C@@H]1CCCN(c2cc(Br)ccc2/C=C/C(=O)[O-])C1 O=C([O-])C=C[*:1] C[C@@H]1CCCN(C1)c1cc(Br)ccc1[*:1]
C[C@@H]1CCCN(c2cc(Br)ccc2/C=C/C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1CCCN(C1)c1cc(Br)ccc1C=C[*:1]
NC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N[*:1]
NC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 NC(=O)[*:1] O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)Nc1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 c1coc(c1)[*:1] NC(=O)c1ccc(cc1)NC(=O)COC(=O)c1cc(nc2ccccc12)[*:1]
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1 O=C([O-])C[*:1] C=CCN(C(=O)N[C@H](C)c1ccccc1)[*:1]
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(CC(=O)[O-])C(=O)N[C@H](C)[*:1]
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1 C=CC[*:1] C[C@@H](NC(=O)N(CC(=O)[O-])[*:1])c1ccccc1
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)N[C@H](C)c1ccccc1
CCn1c(C[NH+](C)Cc2cc(C)on2)nc2c(F)cccc21 Cc1cc(no1)[*:1] CCn1c(C[NH+](C)C[*:1])nc2c(F)cccc21
CCn1c(C[NH+](C)Cc2cc(C)on2)nc2c(F)cccc21 Cc1cc(C[*:1])no1 CCn1c(C[NH+](C)[*:1])nc2c(F)cccc21
CCSc1nnc(Sc2cc(OC)cc(F)c2[N+](=O)[O-])s1 CCS[*:1] COc1cc(F)c(c(c1)Sc1nnc(s1)[*:1])[N+](=O)[O-]
CCSc1nnc(Sc2cc(OC)cc(F)c2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] CCSc1nnc(Sc2cc(cc(F)c2[*:1])OC)s1
O=C(CNC(=O)Nc1ccccc1N1CCCC1)Nc1ccc(F)cc1 C1CCN(C1)[*:1] O=C(CNC(=O)Nc1ccccc1[*:1])Nc1ccc(F)cc1
O=C(CNC(=O)Nc1ccccc1N1CCCC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNC(=O)Nc1ccccc1N1CCCC1)N[*:1]
Cc1cc(C)c(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=S(=O)(c1cccnc1)N1CCC(CC1)CNS(=O)(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)c(C)c1 c1cncc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCC1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(-c2nc(SCCn3cccn3)nc([O-])c2C#N)cc1 c1cnn(c1)CC[*:1] COc1ccc(cc1)-c1nc(nc([O-])c1C#N)S[*:1]
COc1ccc(-c2nc(SCCn3cccn3)nc([O-])c2C#N)cc1 c1cnn(c1)C[*:1] COc1ccc(cc1)-c1nc(nc([O-])c1C#N)SC[*:1]
COc1ccc(-c2nc(SCCn3cccn3)nc([O-])c2C#N)cc1 c1cnn(c1)CCS[*:1] COc1ccc(cc1)-c1nc(nc([O-])c1C#N)[*:1]
COc1ccc(-c2nc(SCCn3cccn3)nc([O-])c2C#N)cc1 COc1ccc(cc1)[*:1] N#Cc1c([O-])nc(nc1[*:1])SCCn1cccn1
COc1ccc(-c2nc(SCCn3cccn3)nc([O-])c2C#N)cc1 c1cnn(c1)[*:1] COc1ccc(cc1)-c1nc(nc([O-])c1C#N)SCC[*:1]
O=Cc1ccc(OCc2ccn(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] O=Cc1ccc(cc1)OCc1ccn(n1)[*:1]
O=C(c1ccco1)N1CCCSC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(c1ccco1)N1CCCSC[C@H]1[*:1]
O=C(c1ccco1)N1CCCSC[C@@H]1CN1CCOCC1 c1coc(c1)[*:1] O=C(N1CCCSC[C@@H]1CN1CCOCC1)[*:1]
O=C(c1ccco1)N1CCCSC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(c1ccco1)N1CCCSC[C@@H]1C[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)C2(c3ccccc3)CCOCC2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)C1(CCOCC1)[*:1]
Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)c1 Cc1cccc(c1)[*:1] Cc1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N[*:1]
COc1ccc(OC)c(NC(=O)[C@@H](C)SCc2ccccc2Cl)c1 Clc1ccccc1C[*:1] COc1ccc(OC)c(c1)NC(=O)[C@@H](C)S[*:1]
COc1ccc(OC)c(NC(=O)[C@@H](C)SCc2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1ccc(OC)c(c1)NC(=O)[C@@H](C)SC[*:1]
C[C@H](C(=O)[O-])[C@@H](C)Nc1cccc2ccccc12 O=C([O-])[*:1] C[C@H]([C@@H](C)Nc1cccc2ccccc12)[*:1]
O=C(NCCC[NH+]1Cc2ccccc2C1)c1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] O=C(NCCC[NH+]1Cc2ccccc2C1)c1cccc(c1)C[*:1]
O=C(NCCC[NH+]1Cc2ccccc2C1)c1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] O=C(NCCC[NH+]1Cc2ccccc2C1)c1cccc(c1)[*:1]
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2cn[nH]c2)o1 Cc1ccc(o1)[*:1] C[C@@H]1CCN(C(=O)Nc2cn[nH]c2)[C@H](C1)[*:1]
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2cn[nH]c2)o1 c1n[nH]cc1[*:1] Cc1ccc(o1)[C@H]1C[C@H](C)CCN1C(=O)N[*:1]
COC(=O)c1cccc(OC)c1OCc1cc(C)nc2ccccc12 COC(=O)[*:1] COc1cccc(c1OCc1cc(C)nc2ccccc12)[*:1]
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Nc3nccs3)cc2)CC1 c1csc(n1)[*:1] C[NH+]1CCN(CC1)C(=O)Cc1ccc(cc1)NC(=O)N[*:1]
COc1ccc(OC)c(/C=C\C(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1ccc(OC)c(/C=C\C(=O)[*:1])c1
CC(C)[C@@H](NC(=O)c1nccn2ccnc12)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@@H](NC(=O)c1nccn2ccnc12)[*:1]
CC(C)[C@@H](NC(=O)c1nccn2ccnc12)c1nc(C2CC2)no1 CC(C)[*:1] O=C(N[C@@H](c1nc(no1)C1CC1)[*:1])c1nccn2ccnc12
CC(C)[C@@H](NC(=O)c1nccn2ccnc12)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H](NC(=O)c1nccn2ccnc12)c1nc(no1)[*:1]
CC(C)(C)c1ccccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)c1ccccc1NC(=O)CCNc1ccccc1[*:1]
CC(C)(C)c1ccccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] CC(C)(C)[*:1] O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1[*:1]
Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccncc3)c2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)C(=O)Nc1cccc(c1)CNC(=O)N[*:1]
Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccncc3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1cccc(c1)NC(=O)[*:1])Nc1ccncc1
CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CC1C(C)(C)C1(C)C CC(C)(C)[*:1] CC[C@H]1C[NH2+][C@H](CN1CC1C(C)(C)C1(C)C)[*:1]
CC1(C)[C@@H](C(=O)NCCc2ccccc2)CC[C@@]1(C)C(=O)[O-] c1ccc(cc1)[*:1] CC1(C)[C@H](CC[C@@]1(C)C(=O)[O-])C(=O)NCC[*:1]
CC1(C)[C@@H](C(=O)NCCc2ccccc2)CC[C@@]1(C)C(=O)[O-] O=C([O-])[*:1] CC1(C)[C@H](CC[C@]1(C)[*:1])C(=O)NCCc1ccccc1
CC1(C)[C@@H](C(=O)NCCc2ccccc2)CC[C@@]1(C)C(=O)[O-] c1ccc(cc1)C[*:1] CC1(C)[C@H](CC[C@@]1(C)C(=O)[O-])C(=O)NC[*:1]
COC(=O)CCC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 COC(=O)CC[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)[*:1]
COC(=O)CCC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] COC(=O)CCC(=O)N[C@H]1CCCC[C@H]1O[*:1]
COC(=O)CCC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 COC(=O)[*:1] O=C(CC[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
COC(=O)CCC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 COC(=O)C[*:1] O=C(C[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
COC(=O)CCC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] COC(=O)CCC(=O)N[C@H]1CCCC[C@@H]1[*:1]
C[NH2+][C@H](c1ccn(CCC(=O)NC2CC2)c1)C1CC1 O=C(NC1CC1)[*:1] C[NH2+][C@H](c1ccn(c1)CC[*:1])C1CC1
C[NH2+][C@H](c1ccn(CCC(=O)NC2CC2)c1)C1CC1 C1CC1[*:1] C[NH2+][C@H](c1ccn(c1)CCC(=O)NC1CC1)[*:1]
C[NH2+][C@H](c1ccn(CCC(=O)NC2CC2)c1)C1CC1 C1CC1[*:1] C[NH2+][C@H](c1ccn(c1)CCC(=O)N[*:1])C1CC1
COCc1nc(C(=O)Nc2cccc(NC(=O)OC)c2)cs1 COC[*:1] COC(=O)Nc1cccc(c1)NC(=O)c1csc(n1)[*:1]
COCc1nc(C(=O)Nc2cccc(NC(=O)OC)c2)cs1 COC(=O)N[*:1] COCc1nc(cs1)C(=O)Nc1cccc(c1)[*:1]
CCC[NH+]1CCCN(C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)CC1 CN(C)C(=O)[*:1] CCC[NH+]1CCCN(CC1)C(=O)Nc1ccc(C)c(c1)[*:1]
O=C(Cn1cccn1)N[C@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(F)cc1 O=C(Cn1cccn1)N[*:1] O=c1cc(C[C@H](c2ccc(F)cc2)[*:1])nc([nH]1)N1CCCC1
O=C(Cn1cccn1)N[C@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1cccn1)N[C@H](Cc1cc(=O)[nH]c(n1)N1CCCC1)[*:1]
O=C(Cn1cccn1)N[C@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(F)cc1 c1cnn(c1)[*:1] O=C(C[*:1])N[C@H](Cc1cc(=O)[nH]c(n1)N1CCCC1)c1ccc(F)cc1
O=C(Cn1cccn1)N[C@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(F)cc1 c1cnn(c1)C[*:1] O=C(N[C@H](Cc1cc(=O)[nH]c(n1)N1CCCC1)c1ccc(F)cc1)[*:1]
O=C(Cn1cccn1)N[C@H](Cc1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(F)cc1 C1CCN(C1)[*:1] O=C(Cn1cccn1)N[C@H](Cc1cc(=O)[nH]c(n1)[*:1])c1ccc(F)cc1
Clc1cccc(/N=C(/c2ccccc2Cl)N2CCOCC2)c1 Clc1ccccc1[*:1] Clc1cccc(c1)/N=C(\N1CCOCC1)[*:1]
Clc1cccc(/N=C(/c2ccccc2Cl)N2CCOCC2)c1 Clc1cccc(c1)[*:1] Clc1ccccc1C(=N[*:1])N1CCOCC1
C[C@@H](CNC(=O)NCc1ccc(Cn2cncn2)cc1)c1ccsc1 c1ncn(n1)[*:1] C[C@@H](CNC(=O)NCc1ccc(cc1)C[*:1])c1ccsc1
C[C@@H](CNC(=O)NCc1ccc(Cn2cncn2)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)NCc1ccc(cc1)Cn1cncn1)[*:1]
C[C@@H](CNC(=O)NCc1ccc(Cn2cncn2)cc1)c1ccsc1 c1ncn(C[*:1])n1 C[C@@H](CNC(=O)NCc1ccc(cc1)[*:1])c1ccsc1
C[C@@H](c1nc2ccccc2n1Cc1c(F)cccc1Cl)[NH+]1CCCC1 Fc1cccc(Cl)c1[*:1] C[C@@H](c1nc2ccccc2n1C[*:1])[NH+]1CCCC1
Cc1ccc(Cl)cc1NC(=O)CN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)c1ccccc1F Fc1ccccc1[*:1] Cc1ccc(Cl)cc1NC(=O)CN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)[*:1]
Cc1ccc(Cl)cc1NC(=O)CN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)c1ccccc1F Cc1ccc(Cl)cc1[*:1] O=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)c1ccccc1F)N[*:1]
Cc1ccc(NC(=O)CN2CCO[C@@H](C(N)=O)C2)cc1C NC(=O)[*:1] Cc1ccc(cc1C)NC(=O)CN1CCO[C@@H](C1)[*:1]
C[C@@H](OC(=O)c1c(F)cccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 Fc1cccc(Cl)c1[*:1] C[C@@H](OC(=O)[*:1])C(=O)NCc1ccc2OCOc2c1
C#CCNCC(=O)N[C@H](C)Cc1ccco1 C#CCN[*:1] C[C@H](Cc1ccco1)NC(=O)C[*:1]
C#CCNCC(=O)N[C@H](C)Cc1ccco1 c1coc(c1)[*:1] C#CCNCC(=O)N[C@H](C)C[*:1]
C#CCNCC(=O)N[C@H](C)Cc1ccco1 C#CC[*:1] C[C@H](Cc1ccco1)NC(=O)CN[*:1]
C#CCNCC(=O)N[C@H](C)Cc1ccco1 C#CCNC[*:1] C[C@H](Cc1ccco1)NC(=O)[*:1]
COCc1cc(NC(=O)N[C@H]2C[C@H]2C)ncn1 COC[*:1] C[C@@H]1C[C@@H]1NC(=O)Nc1cc(ncn1)[*:1]
COCc1cc(NC(=O)N[C@H]2C[C@H]2C)ncn1 C[C@@H]1C[C@@H]1[*:1] COCc1cc(ncn1)NC(=O)N[*:1]
CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(C#N)cc1 Fc1cccc(c1)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(C#N)cc1
CC[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@@H]1N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@H]1CN(C[C@H]1[*:1])C(=O)[C@@H]1CCN(C)C(=O)C1
Cc1cc(C)c(NC(=O)CSc2nncn2-c2ccccc2F)c(Cl)c1 Fc1ccccc1[*:1] Cc1cc(C)c(NC(=O)CSc2nncn2[*:1])c(Cl)c1
Cc1cccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)c1 Cc1cccc(c1)O[*:1] O=c1cc(C[*:1])nc2scc(-c3ccccc3)n12
Cc1cccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCc1cc(=O)n2c(csc2n1)[*:1]
Cc1cccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)c1 Cc1cccc(c1)[*:1] O=c1cc(CO[*:1])nc2scc(-c3ccccc3)n12
C[C@@H]1CCCC[C@H]1n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O c1ccc(cc1)CC[*:1] C[C@@H]1CCCC[C@H]1n1ccc2nc3ccn(c(=O)c3cc2c1=O)[*:1]
C[C@@H]1CCCC[C@H]1n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O c1ccc(cc1)C[*:1] C[C@@H]1CCCC[C@H]1n1ccc2nc3ccn(C[*:1])c(=O)c3cc2c1=O
C[C@@H]1CCCC[C@H]1n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O c1ccc(cc1)[*:1] C[C@@H]1CCCC[C@H]1n1ccc2nc3ccn(CC[*:1])c(=O)c3cc2c1=O
Cc1ccsc1[C@@H](O)[C@]1(C#N)CCc2ccccc21 Cc1ccsc1[*:1] N#C[C@]1(CCc2ccccc21)[C@H](O)[*:1]
COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCN(c2nc3ccccc3s2)CC1 Cc1ccc(cc1)[*:1] COCCn1nnnc1[C@H](N1CCN(CC1)c1nc2ccccc2s1)[*:1]
COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCN(c2nc3ccccc3s2)CC1 COC[*:1] Cc1ccc(cc1)[C@@H](c1nnnn1C[*:1])N1CCN(CC1)c1nc2ccccc2s1
COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCN(c2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCN(CC1)[*:1]
COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCN(c2nc3ccccc3s2)CC1 COCC[*:1] Cc1ccc(cc1)[C@@H](c1nnnn1[*:1])N1CCN(CC1)c1nc2ccccc2s1
COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCN(c2nc3ccccc3s2)CC1 COCCn1nnnc1[*:1] Cc1ccc(cc1)[C@H](N1CCN(CC1)c1nc2ccccc2s1)[*:1]
[NH3+]C1(CC(=O)NCc2ccccc2[N+](=O)[O-])CCC1 O=[N+]([O-])[*:1] [NH3+]C1(CCC1)CC(=O)NCc1ccccc1[*:1]
CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ncnn1C c1ccc(cc1)[*:1] CCCOc1cn(nc1C(=O)N(C)Cc1ncnn1C)[*:1]
CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ncnn1C Cn1ncnc1[*:1] CCCOc1cn(nc1C(=O)N(C)C[*:1])-c1ccccc1
CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ncnn1C CCCO[*:1] CN(Cc1ncnn1C)C(=O)c1nn(cc1[*:1])-c1ccccc1
CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ncnn1C CCC[*:1] CN(Cc1ncnn1C)C(=O)c1nn(cc1O[*:1])-c1ccccc1
CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ncnn1C Cn1ncnc1C[*:1] CCCOc1cn(nc1C(=O)N(C)[*:1])-c1ccccc1
Cc1cccn2c(=O)c(C(=O)Nc3cc(C(=O)N(C)C)ccn3)cnc12 CN(C)C(=O)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)Nc1cc(ccn1)[*:1]
CO[C@H]1CCC[C@H](OC(=O)Cc2csc(Cc3ccccc3)n2)C1 c1ccc(cc1)C[*:1] CO[C@H]1CCC[C@@H](C1)OC(=O)Cc1csc(n1)[*:1]
CO[C@H]1CCC[C@H](OC(=O)Cc2csc(Cc3ccccc3)n2)C1 c1ccc(cc1)[*:1] CO[C@H]1CCC[C@@H](C1)OC(=O)Cc1csc(C[*:1])n1
CSc1ccc(Cl)c(C(=O)N[C@@H](CO)C(=O)[O-])c1 O=C([O-])[*:1] CSc1ccc(Cl)c(c1)C(=O)N[C@@H](CO)[*:1]
[O-]c1nc2sc3c(c2c2nc(-c4ccc(Cl)cc4)nn12)CCCC3 Clc1ccc(cc1)[*:1] [O-]c1nc2sc3CCCCc3c2c2nc(nn12)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)NC1(c2cccc(Cl)c2)CC1 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)NC1(CC1)c1cccc(Cl)c1)C[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)NC1(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC(=O)N(CCc1ccccc1)CC(=O)NC1(CC1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)NC1(c2cccc(Cl)c2)CC1 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)NC1(CC1)c1cccc(Cl)c1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)NC1(c2cccc(Cl)c2)CC1 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)NC1(CC1)c1cccc(Cl)c1
CSCC[C@@H](C)N(C)c1ccc([N+](=O)[O-])c2cnccc12 CSCC[*:1] C[C@@H](N(C)c1ccc(c2cnccc12)[N+](=O)[O-])[*:1]
CSCC[C@@H](C)N(C)c1ccc([N+](=O)[O-])c2cnccc12 CSC[*:1] C[C@H](C[*:1])N(C)c1ccc(c2cnccc12)[N+](=O)[O-]
CSCC[C@@H](C)N(C)c1ccc([N+](=O)[O-])c2cnccc12 O=[N+]([O-])[*:1] CSCC[C@@H](C)N(C)c1ccc(c2cnccc12)[*:1]
Cc1nnnn1-c1cccc(NC(=O)CCCO)c1 OCC[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)C[*:1]
Cc1nnnn1-c1cccc(NC(=O)CCCO)c1 OCCC[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)[*:1]
Cc1nnnn1-c1cccc(NC(=O)CCCO)c1 Cc1nnnn1[*:1] O=C(CCCO)Nc1cccc(c1)[*:1]
CNC(=O)c1ccc(CN2CCN(c3ccccc3OC)C(=O)C2)o1 CNC(=O)[*:1] COc1ccccc1N1CCN(CC1=O)Cc1ccc(o1)[*:1]
CNC(=O)c1ccc(CN2CCN(c3ccccc3OC)C(=O)C2)o1 COc1ccccc1[*:1] CNC(=O)c1ccc(CN2CCN(C(=O)C2)[*:1])o1
Cc1nn(CN2CCO[C@@H](C(N)=O)C2)c(C)c1Br NC(=O)[*:1] Cc1nn(CN2CCO[C@@H](C2)[*:1])c(C)c1Br
Cc1ccc([C@@H](C)Nc2ccccc2C(=O)[O-])cc1F O=C([O-])[*:1] Cc1ccc(cc1F)[C@@H](C)Nc1ccccc1[*:1]
C[C@@H]1CCN(C(=O)COC(=O)c2sccc2S(N)(=O)=O)c2ccccc2S1 NS(=O)(=O)c1ccsc1[*:1] C[C@@H]1CCN(C(=O)COC(=O)[*:1])c2ccccc2S1
C[C@@H]1CCN(C(=O)COC(=O)c2sccc2S(N)(=O)=O)c2ccccc2S1 NS(=O)(=O)[*:1] C[C@@H]1CCN(C(=O)COC(=O)c2sccc2[*:1])c2ccccc2S1
CN(CC(C)(C)O)c1cc(C(F)(F)F)ccn1 CC(C)(O)[*:1] CN(C[*:1])c1cc(ccn1)C(F)(F)F
CN(CC(C)(C)O)c1cc(C(F)(F)F)ccn1 CC(C)(O)C[*:1] CN(c1cc(ccn1)C(F)(F)F)[*:1]
CN(CC(C)(C)O)c1cc(C(F)(F)F)ccn1 FC(F)(F)[*:1] CN(CC(C)(C)O)c1cc(ccn1)[*:1]
Cc1ccc(NC(=O)NC(=O)Cn2nnc(-c3cccs3)n2)cc1C Cc1ccc(cc1C)[*:1] O=C(Cn1nnc(n1)-c1cccs1)NC(=O)N[*:1]
Cc1ccc(NC(=O)NC(=O)Cn2nnc(-c3cccs3)n2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)NC(=O)NC(=O)Cn1nnc(n1)[*:1]
CCc1cc(N2CCO[C@H](c3ccc(Br)cc3)C2)nc(-c2ccncc2)n1 Brc1ccc(cc1)[*:1] CCc1cc(nc(n1)-c1ccncc1)N1CCO[C@H](C1)[*:1]
CCc1cc(N2CCO[C@H](c3ccc(Br)cc3)C2)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CCc1cc(nc(n1)[*:1])N1CCO[C@@H](C1)c1ccc(Br)cc1
Nc1cc(Br)ccc1C(=O)N(CC1CCCCC1)C1CC1 C1CCC(CC1)C[*:1] Nc1cc(Br)ccc1C(=O)N(C1CC1)[*:1]
Nc1cc(Br)ccc1C(=O)N(CC1CCCCC1)C1CC1 C1CCC(CC1)[*:1] Nc1cc(Br)ccc1C(=O)N(C[*:1])C1CC1
Nc1cc(Br)ccc1C(=O)N(CC1CCCCC1)C1CC1 C1CC1[*:1] Nc1cc(Br)ccc1C(=O)N(CC1CCCCC1)[*:1]
CC(C)(O)CC[C@@H](C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 CC(C)(O)[*:1] O=C([O-])[C@H](CC[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)(O)CC[C@@H](C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] CC(C)(O)CC[C@@H]([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)(O)CC[C@@H](C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 CC(C)(O)C[*:1] O=C([O-])[C@H](C[*:1])[C@@H]1CCS(=O)(=O)C1
CSc1ccc(O[C@H](C)C(=O)N(C)c2cccc(C)n2)cc1 Cc1cccc(n1)[*:1] CSc1ccc(cc1)O[C@H](C)C(=O)N(C)[*:1]
CN(C(=O)NC[C@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CN(C(=O)NC[C@H]1COc2ccccc2O1)[*:1]
Cn1ncc2c(-n3cnc(-c4ccc(F)cc4)c3)ncnc21 Fc1ccc(cc1)[*:1] Cn1ncc2c(ncnc21)-n1cnc(c1)[*:1]
O=C(NNc1cccc(F)c1)c1cccnc1OCC(F)F FC(F)CO[*:1] O=C(NNc1cccc(F)c1)c1cccnc1[*:1]
O=C(NNc1cccc(F)c1)c1cccnc1OCC(F)F Fc1cccc(c1)[*:1] O=C(NN[*:1])c1cccnc1OCC(F)F
O=C(NNc1cccc(F)c1)c1cccnc1OCC(F)F FC(F)C[*:1] O=C(NNc1cccc(F)c1)c1cccnc1O[*:1]
O=C(NNc1cccc(F)c1)c1cccnc1OCC(F)F FC(F)[*:1] O=C(NNc1cccc(F)c1)c1cccnc1OC[*:1]
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] N#C/C(=C\c1cccc(c1)O[*:1])C(=O)NC[C@@H]1CCCO1
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)NC[C@@H]1CCCO1 c1ccc(cc1)O[*:1] N#C/C(=C\c1cccc(c1)[*:1])C(=O)NC[C@@H]1CCCO1
CC(C)Oc1ccc([C@H](C)NC(=O)N2CCCN(c3nccs3)CC2)cc1 CC(C)O[*:1] C[C@H](NC(=O)N1CCCN(CC1)c1nccs1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)N2CCCN(c3nccs3)CC2)cc1 CC(C)[*:1] C[C@H](NC(=O)N1CCCN(CC1)c1nccs1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)N2CCCN(c3nccs3)CC2)cc1 c1csc(n1)[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)N1CCCN(CC1)[*:1]
O=C1CC[C@H](C(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@H]2CCO3)N1 O=C1CC[C@H](N1)[*:1] O=C1c2cc(ccc2OCC[C@@H]2CCCCN12)NC(=O)[*:1]
Cc1ccnc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 Fc1ccc(cc1)[*:1] Cc1ccnc(n1)N1CCC(=O)N(C[*:1])[C@H](C1)C(C)C
Cc1ccnc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 CC(C)[*:1] Cc1ccnc(n1)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C1)[*:1]
Cc1ccnc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 Cc1ccnc(n1)[*:1] CC(C)[C@H]1CN(CCC(=O)N1Cc1ccc(F)cc1)[*:1]
Cc1ccnc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 Fc1ccc(cc1)C[*:1] Cc1ccnc(n1)N1CCC(=O)N([C@H](C1)C(C)C)[*:1]
COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1 COC(=O)[*:1] O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)COC(=O)[*:1]
CCC[C@@H](NC(=O)c1ccc(Cl)c(OC)c1)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)c1ccc(Cl)c(c1)OC)[*:1]
CCC[C@@H](NC(=O)c1ccc(Cl)c(OC)c1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)c1ccc(Cl)c(c1)OC)[*:1]
C[C@H](C(=O)OCc1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1 Fc1cccc(c1)[*:1] C[C@H](C(=O)OC[*:1])S(=O)(=O)c1ccc(F)cc1
C[C@H](C(=O)OCc1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)OCc1cccc(F)c1)S(=O)(=O)[*:1]
CCOC(=O)c1cnc2c(-c3ccccc3)c(C(F)(F)F)sc2c1[O-] CCOC(=O)[*:1] [O-]c1c(cnc2c(-c3ccccc3)c(sc12)C(F)(F)F)[*:1]
CCOC(=O)c1cnc2c(-c3ccccc3)c(C(F)(F)F)sc2c1[O-] FC(F)(F)[*:1] CCOC(=O)c1cnc2c(-c3ccccc3)c(sc2c1[O-])[*:1]
CCOC(=O)c1cnc2c(-c3ccccc3)c(C(F)(F)F)sc2c1[O-] c1ccc(cc1)[*:1] CCOC(=O)c1cnc2c(c(sc2c1[O-])C(F)(F)F)[*:1]
O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(CC[*:1])C1CCC1
O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(C1CCC1)[*:1]
O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(CCC(F)(F)F)[*:1]
O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(CCC(F)(F)F)C1CCC1 O=[N+]([O-])[*:1] O=C(c1cc(F)c(F)cc1[*:1])N(CCC(F)(F)F)C1CCC1
O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(C[*:1])C1CCC1
CN(c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1F)C1CCCCC1 C1CN(CCO1)[*:1] CN(c1ccc(cc1F)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1])C1CCCCC1
CN(c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1F)C1CCCCC1 C1CCC(CC1)[*:1] CN(c1ccc(cc1F)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)[*:1]
CN(c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1F)C1CCCCC1 CN(C1CCCCC1)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
CN(c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1F)C1CCCCC1 O=[N+]([O-])[*:1] CN(c1ccc(cc1F)NC(=O)c1ccc(c(c1)[*:1])N1CCOCC1)C1CCCCC1
Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)[C@H]1CCCO1 c1ccc(nc1)[*:1] Cc1nc(sc1C(=O)N[C@H](C)[C@H]1CCCO1)[*:1]
Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1nc(sc1C(=O)N[C@H](C)[*:1])-c1ccccn1
COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(Cl)c1O O=C([O-])[*:1] COc1cc(cc(Cl)c1O)[C@@H]1N[C@@H](CS1)[*:1]
Cc1ccc(CC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1O Fc1ccc(cc1)[*:1] Cc1ccc(cc1O)CC(=O)NC[C@H](N1CCOCC1)[*:1]
Cc1ccc(CC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1O Cc1ccc(cc1O)C[*:1] O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[*:1]
Cc1ccc(CC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1O Cc1ccc(cc1O)[*:1] O=C(C[*:1])NC[C@H](c1ccc(F)cc1)N1CCOCC1
Cc1ccc(CC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1O C1CN(CCO1)[*:1] Cc1ccc(cc1O)CC(=O)NC[C@H](c1ccc(F)cc1)[*:1]
CNC(=O)c1ccc(CN(C)C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 CNC(=O)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)N(C)Cc1ccc(cc1)[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1 c1ccn2c(nnc2c1)[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)C[*:1]
Fc1ccc2nc(CN3CCC[C@H](c4nncn4C4CC4)C3)oc2c1 C1CC1[*:1] Fc1ccc2nc(CN3CCC[C@@H](C3)c3nncn3[*:1])oc2c1
Fc1ccc2nc(CN3CCC[C@H](c4nncn4C4CC4)C3)oc2c1 c1nnc(n1C1CC1)[*:1] Fc1ccc2nc(CN3CCC[C@H](C3)[*:1])oc2c1
Cc1ccc(OCCC(=O)Nc2nnc(Cc3ccccc3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(CCO[*:1])Nc1nnc(Cc2ccccc2)s1
Cc1ccc(OCCC(=O)Nc2nnc(Cc3ccccc3)s2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OCCC(=O)Nc1nnc(C[*:1])s1
Cc1ccc(OCCC(=O)Nc2nnc(Cc3ccccc3)s2)cc1 Cc1ccc(cc1)O[*:1] O=C(CC[*:1])Nc1nnc(Cc2ccccc2)s1
Cc1ccc(OCCC(=O)Nc2nnc(Cc3ccccc3)s2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)OCCC(=O)Nc1nnc(s1)[*:1]
COc1ccc(NC(=O)c2cccc(C)c2C)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1[*:1])NC(=O)c1cccc(C)c1C
COc1ccc(NC(=O)c2cccc(C)c2C)cc1S(=O)(=O)N1CCOCC1 Cc1cccc(c1C)[*:1] COc1ccc(cc1S(=O)(=O)N1CCOCC1)NC(=O)[*:1]
Cn1cnnc1-c1cccc(NC(=O)c2cccc(C#N)c2)c1 Cn1cnnc1[*:1] N#Cc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCc4ccccc4C3)cc2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)c1ccc(cc1)C[NH+]1CCc2ccccc2C1)[*:1]
CCC[C@H](CS)Cn1cnc2cc(C)c(C)cc21 CCC[*:1] Cc1cc2ncn(C[C@@H](CS)[*:1])c2cc1C
Cc1ccc2c(c1)c(=O)c(C(=O)Nc1nc3ccc(C(C)C)cc3s1)nn2C CC(C)[*:1] Cc1ccc2c(c1)c(=O)c(nn2C)C(=O)Nc1nc2ccc(cc2s1)[*:1]
NS(=O)(=O)c1ccc(C(=O)OCC(=O)c2sccc2Br)o1 NS(=O)(=O)[*:1] O=C(OCC(=O)c1sccc1Br)c1ccc(o1)[*:1]
NS(=O)(=O)c1ccc(C(=O)OCC(=O)c2sccc2Br)o1 Brc1ccsc1[*:1] NS(=O)(=O)c1ccc(o1)C(=O)OCC(=O)[*:1]
Cn1c(CCNC(=O)c2ccc(-n3cccc3)nc2)nc2c(F)cccc21 c1ccn(c1)[*:1] Cn1c(CCNC(=O)c2ccc(nc2)[*:1])nc2c(F)cccc21
CCOC(=O)c1nc(-c2ccc(C)cc2)c[n+]([O-])c1N CCOC(=O)[*:1] Cc1ccc(cc1)-c1c[n+]([O-])c(N)c(n1)[*:1]
Cc1nc(-c2cccc(C[NH2+][C@@H](C)c3ccc4ccccc4n3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@H]([NH2+]Cc1cccc(c1)[*:1])c1ccc2ccccc2n1
CC(C)n1cnc2nc(CSc3ccccc3NC(=O)Cc3ccccc3)cc(=O)n21 O=C(Cc1ccccc1)N[*:1] CC(C)n1cnc2nc(cc(=O)n21)CSc1ccccc1[*:1]
CC(C)n1cnc2nc(CSc3ccccc3NC(=O)Cc3ccccc3)cc(=O)n21 c1ccc(cc1)[*:1] CC(C)n1cnc2nc(cc(=O)n21)CSc1ccccc1NC(=O)C[*:1]
CC(C)n1cnc2nc(CSc3ccccc3NC(=O)Cc3ccccc3)cc(=O)n21 c1ccc(cc1)C[*:1] CC(C)n1cnc2nc(cc(=O)n21)CSc1ccccc1NC(=O)[*:1]
CC(C)n1cnc2nc(CSc3ccccc3NC(=O)Cc3ccccc3)cc(=O)n21 CC(C)[*:1] O=C(Cc1ccccc1)Nc1ccccc1SCc1cc(=O)n2c(ncn2[*:1])n1
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCC(=O)Nc1ccccc1Cl O=C(Nc1ccccc1Cl)[*:1] COc1ccc(cc1NC[*:1])S(=O)(=O)N1CCCCCC1
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCC(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] COc1ccc(cc1NCC(=O)N[*:1])S(=O)(=O)N1CCCCCC1
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCC(=O)Nc1ccccc1Cl O=S(=O)(N1CCCCCC1)[*:1] COc1ccc(cc1NCC(=O)Nc1ccccc1Cl)[*:1]
CC[NH+](C)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] CC[NH+](C)CC(=O)Nc1cccc(c1)[*:1]
Cc1cccc(O[C@H](C)CNC(=O)NCC(C)(C)O)c1 CC(C)(O)[*:1] Cc1cccc(c1)O[C@H](C)CNC(=O)NC[*:1]
Cc1cccc(O[C@H](C)CNC(=O)NCC(C)(C)O)c1 CC(C)(O)C[*:1] Cc1cccc(c1)O[C@H](C)CNC(=O)N[*:1]
C[C@@H](NC(=O)CSc1n[nH]c(=O)n1C[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 C1CO[C@H](C1)C[*:1] C[C@@H](NC(=O)CSc1n[nH]c(=O)n1[*:1])c1ccc(Cl)c(Cl)c1
C[C@@H](NC(=O)CSc1n[nH]c(=O)n1C[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)CSc1n[nH]c(=O)n1C[*:1])c1ccc(Cl)c(Cl)c1
C[C@@H](NC(=O)CSc1n[nH]c(=O)n1C[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@@H](NC(=O)CSc1n[nH]c(=O)n1C[C@H]1CCCO1)[*:1]
COCc1ccc([C@H]2N=C3C=NN(C4CCCCC4)[C@H]3N2)o1 COC[*:1] C1=NN(C2CCCCC2)[C@H]2N[C@H](N=C12)c1ccc(o1)[*:1]
COCc1ccc([C@H]2N=C3C=NN(C4CCCCC4)[C@H]3N2)o1 C1CCC(CC1)[*:1] COCc1ccc(o1)[C@H]1N=C2C=NN([C@H]2N1)[*:1]
COc1ccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ncc(NC(=O)[*:1])n1-c1nc(cs1)-c1ccc(Cl)cc1
COc1ccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)Nc1cnc(C)n1-c1nc(cs1)[*:1]
O=C(c1cn(C2CCCCC2)nn1)N1CCC([NH+]2CCOCC2)CC1 C1CCC(CC1)[*:1] O=C(c1cn(nn1)[*:1])N1CCC(CC1)[NH+]1CCOCC1
COc1ccc(S(=O)(=O)NCc2cccnc2)cc1-c1noc(C2CCCCC2)n1 c1cncc(c1)[*:1] COc1ccc(cc1-c1noc(n1)C1CCCCC1)S(=O)(=O)NC[*:1]
COc1ccc(S(=O)(=O)NCc2cccnc2)cc1-c1noc(C2CCCCC2)n1 c1cncc(c1)C[*:1] COc1ccc(cc1-c1noc(n1)C1CCCCC1)S(=O)(=O)N[*:1]
COc1ccc(S(=O)(=O)NCc2cccnc2)cc1-c1noc(C2CCCCC2)n1 C1CCC(CC1)[*:1] COc1ccc(cc1-c1noc(n1)[*:1])S(=O)(=O)NCc1cccnc1
CCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(=O)n(CC(=O)NC(C)C)nc12 O=C(NC1CCCCC1)[*:1] CCCn1c(=O)c2ccc(cc2n2c(=O)n(CC(=O)NC(C)C)nc12)[*:1]
CCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(=O)n(CC(=O)NC(C)C)nc12 CC(C)NC(=O)C[*:1] CCCn1c(=O)c2ccc(cc2n2c(=O)n(nc12)[*:1])C(=O)NC1CCCCC1
CCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(=O)n(CC(=O)NC(C)C)nc12 CC(C)NC(=O)[*:1] CCCn1c(=O)c2ccc(cc2n2c(=O)n(C[*:1])nc12)C(=O)NC1CCCCC1
CCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(=O)n(CC(=O)NC(C)C)nc12 CCC[*:1] CC(C)NC(=O)Cn1nc2n(c(=O)c3ccc(cc3n2c1=O)C(=O)NC1CCCCC1)[*:1]
CCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(=O)n(CC(=O)NC(C)C)nc12 CC(C)[*:1] CCCn1c(=O)c2ccc(cc2n2c(=O)n(CC(=O)N[*:1])nc12)C(=O)NC1CCCCC1
CCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(=O)n(CC(=O)NC(C)C)nc12 C1CCC(CC1)[*:1] CCCn1c(=O)c2ccc(cc2n2c(=O)n(CC(=O)NC(C)C)nc12)C(=O)N[*:1]
CCC[C@H](C#N)NC(=O)c1sc(C2CCCC2)nc1C CCC[C@H](C#N)[*:1] Cc1nc(sc1C(=O)N[*:1])C1CCCC1
CCC[C@H](C#N)NC(=O)c1sc(C2CCCC2)nc1C CCC[*:1] Cc1nc(sc1C(=O)N[C@@H](C#N)[*:1])C1CCCC1
CCC[C@H](C#N)NC(=O)c1sc(C2CCCC2)nc1C C1CCC(C1)[*:1] CCC[C@H](C#N)NC(=O)c1sc(nc1C)[*:1]
CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C)cc3)cc21 Cc1ccc(cc1)[*:1] CCCN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)[*:1]
CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C)cc3)cc21 CCC[*:1] Cc1ccc(cc1)C(=O)Nc1ccc2OCC(C)(C)C(=O)N(c2c1)[*:1]
Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 Cc1ccc(cc1)[*:1] O[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)[*:1]
C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C2CC2)CC1 Clc1cc(Cl)cc(c1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)C1CC1
C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(CC1)C(=O)[*:1]
CC(=O)[C@@H]1[C@@H](c2cccc(C)c2)NC(=O)N[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] CC(=O)[C@@H]1[C@H](NC(=O)N[C@]1(O)[*:1])c1cccc(C)c1
CC(=O)[C@@H]1[C@@H](c2cccc(C)c2)NC(=O)N[C@@]1(O)C(F)(F)F Cc1cccc(c1)[*:1] CC(=O)[C@@H]1[C@@H](NC(=O)N[C@@]1(O)C(F)(F)F)[*:1]
CC(=O)[C@@H]1[C@@H](c2cccc(C)c2)NC(=O)N[C@@]1(O)C(F)(F)F CC(=O)[*:1] Cc1cccc(c1)[C@H]1NC(=O)N[C@](O)([C@@H]1[*:1])C(F)(F)F
O=C(CN1CCN(C(=O)c2cccnc2SC(F)F)CC1)Nc1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] O=C(CN1CCN(CC1)C(=O)c1cccnc1SC(F)F)N[*:1]
O=C(CN1CCN(C(=O)c2cccnc2SC(F)F)CC1)Nc1ccccc1C(F)(F)F FC(F)S[*:1] O=C(CN1CCN(CC1)C(=O)c1cccnc1[*:1])Nc1ccccc1C(F)(F)F
O=C(CN1CCN(C(=O)c2cccnc2SC(F)F)CC1)Nc1ccccc1C(F)(F)F FC(F)Sc1ncccc1[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1ccccc1C(F)(F)F
O=C(CN1CCN(C(=O)c2cccnc2SC(F)F)CC1)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(CN1CCN(CC1)C(=O)c1cccnc1SC(F)F)Nc1ccccc1[*:1]
O=C(CN1CCN(C(=O)c2cccnc2SC(F)F)CC1)Nc1ccccc1C(F)(F)F FC(F)[*:1] O=C(CN1CCN(CC1)C(=O)c1cccnc1S[*:1])Nc1ccccc1C(F)(F)F
Cc1occc1C(=O)N(C)CCOc1ccc(Cl)cc1 Cc1occc1[*:1] CN(CCOc1ccc(Cl)cc1)C(=O)[*:1]
NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 NS(=O)(=O)[*:1] O=S1(=O)CC[C@H](C1)[NH2+]CCc1ccc(cc1)[*:1]
COC[C@@H](C)N1C(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2C1=O Cc1cccc(c1)C[*:1] COC[C@@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COC[C@@H](C)N1C(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2C1=O COC[*:1] Cc1cccc(c1)CNC(=O)c1ccc2C(=O)N(C(=O)c2c1)[C@H](C)[*:1]
COC[C@@H](C)N1C(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2C1=O Cc1cccc(c1)[*:1] COC[C@@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)NC[*:1]
O=C(Nc1cccc(F)c1F)NC1CC1 C1CC1[*:1] O=C(Nc1cccc(F)c1F)N[*:1]
C[C@@H](CC(=O)O[C@H](C)c1nc2ccccc2[nH]1)C1CC1 C[C@@H](C[*:1])C1CC1 C[C@@H](OC(=O)[*:1])c1nc2ccccc2[nH]1
C[C@@H](CC(=O)O[C@H](C)c1nc2ccccc2[nH]1)C1CC1 C[C@@H](C1CC1)[*:1] C[C@@H](OC(=O)C[*:1])c1nc2ccccc2[nH]1
C[C@@H](CC(=O)O[C@H](C)c1nc2ccccc2[nH]1)C1CC1 C1CC1[*:1] C[C@@H](CC(=O)O[C@H](C)c1nc2ccccc2[nH]1)[*:1]
COc1ccc(-n2nc(C(=O)N3CCCCC3)c(=O)cc2OC)cc1 COc1ccc(cc1)[*:1] COc1cc(=O)c(nn1[*:1])C(=O)N1CCCCC1
COc1ccc(-n2nc(C(=O)N3CCCCC3)c(=O)cc2OC)cc1 O=C(N1CCCCC1)[*:1] COc1ccc(cc1)-n1nc(c(=O)cc1OC)[*:1]
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCN(c3ccccc3)CC1)c1nc(C#N)c(C#N)nc12 c1ccc(cc1)[*:1] CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCN(CC1)[*:1])c1nc(C#N)c(C#N)nc12
Cc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)O[C@@H]1CCOC1=O
Cc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1[*:1])C(=O)O[C@@H]1CCOC1=O
CCc1ccccc1OCC(=O)NC[C@](C)(O)c1ccc(F)cc1 CCc1ccccc1[*:1] C[C@](O)(CNC(=O)CO[*:1])c1ccc(F)cc1
CCc1ccccc1OCC(=O)NC[C@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1ccccc1OCC(=O)NC[C@](C)(O)[*:1]
C[C@H]1CCc2c(sc3nc([C@@H](C)Sc4nnc(C5CC5)n4Cc4ccccc4)[nH]c(=O)c23)C1 c1ccc(cc1)C[*:1] C[C@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)[C@@H](C)Sc1nnc(C2CC2)n1[*:1]
C[C@H]1CCc2c(sc3nc([C@@H](C)Sc4nnc(C5CC5)n4Cc4ccccc4)[nH]c(=O)c23)C1 C1CC1[*:1] C[C@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)[C@@H](C)Sc1nnc(n1Cc1ccccc1)[*:1]
C[C@H]1CCc2c(sc3nc([C@@H](C)Sc4nnc(C5CC5)n4Cc4ccccc4)[nH]c(=O)c23)C1 c1ccc(cc1)[*:1] C[C@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)[C@@H](C)Sc1nnc(C2CC2)n1C[*:1]
C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OC1(C2CC2)CC1 C1CC1[*:1] C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OC1(CC1)[*:1]
C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OC1(C2CC2)CC1 Brc1ccc(s1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)OC1(CC1)C1CC1
C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OC1(C2CC2)CC1 C1CC1C1(CC1)[*:1] C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)O[*:1]
CCS[C@H]1CCCCN(Cc2cncs2)C1 c1ncc(s1)[*:1] CCS[C@H]1CCCCN(C1)C[*:1]
CCS[C@H]1CCCCN(Cc2cncs2)C1 CCS[*:1] c1ncc(CN2CCCC[C@@H](C2)[*:1])s1
COc1ccccc1[C@@H](C#N)NC(=O)CCOc1c(C)cccc1C COc1ccccc1[*:1] Cc1cccc(C)c1OCCC(=O)N[C@H](C#N)[*:1]
COc1ccccc1[C@@H](C#N)NC(=O)CCOc1c(C)cccc1C Cc1cccc(C)c1[*:1] COc1ccccc1[C@@H](C#N)NC(=O)CCO[*:1]
CC(=O)N1CCc2cc(CNC(=O)Cc3ccc(F)cc3)ccc21 Fc1ccc(cc1)C[*:1] CC(=O)N1CCc2cc(ccc21)CNC(=O)[*:1]
CC(=O)N1CCc2cc(CNC(=O)Cc3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)CNC(=O)C[*:1]
CCn1ncc2c1CCC[C@@H]2[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] CCn1ncc2c1CCC[C@@H]2[NH2+][C@@H](C)C(=O)N[*:1]
C[NH2+]C[C@@H](C)C(=O)NCCCC(C)C CC(C)C[*:1] C[NH2+]C[C@@H](C)C(=O)NCC[*:1]
C[NH2+]C[C@@H](C)C(=O)NCCCC(C)C CC(C)[*:1] C[NH2+]C[C@@H](C)C(=O)NCCC[*:1]
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@H]1c1cccs1 CC(C)C[*:1] O=C(NCc1cccnc1)[C@H]1c2ccccc2C(=O)N([C@@H]1c1cccs1)[*:1]
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@H]1c1cccs1 CC(C)[*:1] O=C(NCc1cccnc1)[C@H]1c2ccccc2C(=O)N(C[*:1])[C@@H]1c1cccs1
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@H]1c1cccs1 O=C(NCc1cccnc1)[*:1] CC(C)CN1C(=O)c2ccccc2[C@H]([C@H]1c1cccs1)[*:1]
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@H]1c1cccs1 c1cncc(c1)[*:1] CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC[*:1])[C@H]1c1cccs1
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@H]1c1cccs1 c1cncc(c1)C[*:1] CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N[*:1])[C@H]1c1cccs1
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@H]1c1cccs1 c1csc(c1)[*:1] CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccnc2)[C@@H]1[*:1]
CCOC(=O)c1[nH]ncc1CN1CCO[C@@H](c2ccccc2F)C1 CCOC(=O)[*:1] Fc1ccccc1[C@H]1CN(CCO1)Cc1cn[nH]c1[*:1]
CCOC(=O)c1[nH]ncc1CN1CCO[C@@H](c2ccccc2F)C1 Fc1ccccc1[*:1] CCOC(=O)c1[nH]ncc1CN1CCO[C@@H](C1)[*:1]
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 Brc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccc(cc1)[*:1]
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(Br)cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(Br)cc2)N1c1ccccc1
O=C(CCN1C(=O)COc2ccccc21)NCCn1cnc2ccccc21 c1ccc2c(c1)ncn2[*:1] O=C(CCN1C(=O)COc2ccccc21)NCC[*:1]
CCc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1OC O=[N+]([O-])[*:1] CCc1cccc(C)c1NC(=O)c1cc(ccc1OC)[*:1]
CCC[C@H]1NC(=O)N(C[C@H](CS)C(C)C)C1=O CCC[*:1] CC(C)[C@@H](CS)CN1C(=O)N[C@@H](C1=O)[*:1]
CCC[C@H]1NC(=O)N(C[C@H](CS)C(C)C)C1=O CC(C)[*:1] CCC[C@H]1NC(=O)N(C[C@H](CS)[*:1])C1=O
COc1cc2cc(C(=O)N3CCCC3)[nH]c2c(OC)c1OC O=C(N1CCCC1)[*:1] COc1cc2cc([nH]c2c(OC)c1OC)[*:1]
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1nccs1 FC(F)O[*:1] N#C/C(=C\c1ccc(cc1)[*:1])C(=O)Nc1nccs1
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1nccs1 c1csc(n1)[*:1] N#C/C(=C\c1ccc(cc1)OC(F)F)C(=O)N[*:1]
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1nccs1 FC(F)[*:1] N#C/C(=C\c1ccc(cc1)O[*:1])C(=O)Nc1nccs1
O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 Clc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)Cc1ccc(Cl)cc1Cl
O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 Clc1ccc(C[*:1])c(Cl)c1 O=C(NCc1ccc(Cl)cc1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)Cc1ccc(Cl)cc1Cl
O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(NCc1ccc(Cl)cc1)C1CCN(CC1)S(=O)(=O)C[*:1]
CC(C)CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 CC(C)C[*:1] O=C1Nc2ccccc2[C@@](O)(C(=O)NC[*:1])N1c1ccc(Cl)cc1
CC(C)CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 CC(C)CCNC(=O)[*:1] O=C1Nc2ccccc2[C@@](O)(N1c1ccc(Cl)cc1)[*:1]
CC(C)CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 CC(C)CC[*:1] O=C1Nc2ccccc2[C@@](O)(C(=O)N[*:1])N1c1ccc(Cl)cc1
CC(C)CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1[*:1]
CC(C)CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 CC(C)[*:1] O=C1Nc2ccccc2[C@@](O)(C(=O)NCC[*:1])N1c1ccc(Cl)cc1
O=C(NCCc1nnc2n1CCCCC2)N(Cc1cccnc1)C[C@@H]1CCCO1 c1cncc(c1)C[*:1] O=C(NCCc1nnc2CCCCCn21)N(C[C@@H]1CCCO1)[*:1]
O=C(NCCc1nnc2n1CCCCC2)N(Cc1cccnc1)C[C@@H]1CCCO1 c1cncc(c1)[*:1] O=C(NCCc1nnc2CCCCCn21)N(C[C@@H]1CCCO1)C[*:1]
O=C(NN(Cc1ccccc1)c1ccccc1)c1[nH]nc(C2CC2)c1Br c1ccc(cc1)[*:1] O=C(NN(Cc1ccccc1)[*:1])c1[nH]nc(c1Br)C1CC1
O=C(NN(Cc1ccccc1)c1ccccc1)c1[nH]nc(C2CC2)c1Br C1CC1[*:1] O=C(NN(Cc1ccccc1)c1ccccc1)c1[nH]nc(c1Br)[*:1]
O=C(NN(Cc1ccccc1)c1ccccc1)c1[nH]nc(C2CC2)c1Br c1ccc(cc1)C[*:1] O=C(NN(c1ccccc1)[*:1])c1[nH]nc(c1Br)C1CC1
O=C(NN(Cc1ccccc1)c1ccccc1)c1[nH]nc(C2CC2)c1Br c1ccc(cc1)[*:1] O=C(NN(C[*:1])c1ccccc1)c1[nH]nc(c1Br)C1CC1
C[C@H](c1cc(=O)[nH]c(NC2CCCC2)n1)n1ncc2ccccc2c1=O C1CCC(C1)[*:1] C[C@H](c1cc(=O)[nH]c(n1)N[*:1])n1ncc2ccccc2c1=O
C[C@H](c1cc(=O)[nH]c(NC2CCCC2)n1)n1ncc2ccccc2c1=O C1CCC(C1)N[*:1] C[C@H](c1cc(=O)[nH]c(n1)[*:1])n1ncc2ccccc2c1=O
CC(=O)NCCCC(=O)NCC(C)(C)[NH+](C)C CC(=O)NC[*:1] C[NH+](C)C(C)(C)CNC(=O)CC[*:1]
CC(=O)NCCCC(=O)NCC(C)(C)[NH+](C)C CC(=O)N[*:1] C[NH+](C)C(C)(C)CNC(=O)CCC[*:1]
Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2F)c1C(N)=O FC(F)(F)[*:1] Cc1cccc(NC(=O)c2cccc(c2F)[*:1])c1C(N)=O
Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2F)c1C(N)=O NC(=O)[*:1] Cc1cccc(NC(=O)c2cccc(c2F)C(F)(F)F)c1[*:1]
COc1cccc(OCCN2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 COc1cccc(c1)[*:1] C1=CC[C@H](CC1)C[NH+]1CCN(CCO[*:1])CC1
CN(Cc1nc(C(F)(F)F)cs1)C(=O)C[C@@H]1CCCc2ccccc21 FC(F)(F)[*:1] CN(Cc1nc(cs1)[*:1])C(=O)C[C@@H]1CCCc2ccccc21
Cc1ccc(CN2C[C@@H](C(=O)NCCc3cccs3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1cccs1)[C@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(CN2C[C@@H](C(=O)NCCc3cccs3)CC2=O)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)NCC[*:1]
Cc1ccc(CN2C[C@@H](C(=O)NCCc3cccs3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(NCCc1cccs1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2C[C@@H](C(=O)NCCc3cccs3)CC2=O)cc1 c1csc(c1)CC[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)N[*:1]
Cc1ccc(CN2C[C@@H](C(=O)NCCc3cccs3)CC2=O)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)NC[*:1]
O=C1S[C@@H](Nc2cccc3ccccc23)C(=O)N1CCCl ClCC[*:1] O=C1S[C@@H](Nc2cccc3ccccc23)C(=O)N1[*:1]
CS(=O)(=O)c1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc(cc1)-c1nnc(o1)SCc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 CS(=O)(=O)[*:1] O=[N+]([O-])c1ccc(cc1)CSc1nnc(o1)-c1ccc(cc1)[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)COC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CN(C)c1ccc(Cl)cc1NC(=O)CO[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)COC[C@H]1CCCO1 CN(C)[*:1] O=C(COC[C@H]1CCCO1)Nc1cc(Cl)ccc1[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)COC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CN(C)c1ccc(Cl)cc1NC(=O)COC[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)COC[C@H]1CCCO1 C1CO[C@H](C1)CO[*:1] CN(C)c1ccc(Cl)cc1NC(=O)C[*:1]
CCNC(=O)Cc1c2c(n(CC(C)C)c1C)CC(C)(C)CC2=O CC(C)[*:1] CCNC(=O)Cc1c2C(=O)CC(C)(C)Cc2n(C[*:1])c1C
CCNC(=O)Cc1c2c(n(CC(C)C)c1C)CC(C)(C)CC2=O CCNC(=O)C[*:1] Cc1c(c2C(=O)CC(C)(C)Cc2n1CC(C)C)[*:1]
CCNC(=O)Cc1c2c(n(CC(C)C)c1C)CC(C)(C)CC2=O CC(C)C[*:1] CCNC(=O)Cc1c2C(=O)CC(C)(C)Cc2n(c1C)[*:1]
CCNC(=O)Cc1c2c(n(CC(C)C)c1C)CC(C)(C)CC2=O CCNC(=O)[*:1] Cc1c(C[*:1])c2C(=O)CC(C)(C)Cc2n1CC(C)C
CC(C)[C@@H](CO)NC(=O)N[C@@H]1CCN(C)C1=O CC(C)[*:1] CN1CC[C@@H](NC(=O)N[C@H](CO)[*:1])C1=O
C=CCOc1ccccc1[C@H]1CC(=O)N[C@H]2C1=C(C)NN2c1ccc([O-])nn1 C=CCO[*:1] CC1NN(c2ccc([O-])nn2)[C@H]2NC(=O)C[C@@H](C=12)c1ccccc1[*:1]
C=CCOc1ccccc1[C@H]1CC(=O)N[C@H]2C1=C(C)NN2c1ccc([O-])nn1 C=CC[*:1] CC1NN(c2ccc([O-])nn2)[C@H]2NC(=O)C[C@@H](C=12)c1ccccc1O[*:1]
CC[C@]1(C(=O)NC[C@@H](C)CO)CCCN1C(=O)OC(C)(C)C C[C@@H](CO)C[*:1] CC[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)N[*:1]
CC[C@]1(C(=O)NC[C@@H](C)CO)CCCN1C(=O)OC(C)(C)C C[C@@H](CO)[*:1] CC[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)NC[*:1]
CC[C@]1(C(=O)NC[C@@H](C)CO)CCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CC[C@@]1(CCCN1C(=O)O[*:1])C(=O)NC[C@@H](C)CO
CS(=O)(=O)c1cncnc1[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 Fc1ccc(cc1)[*:1] CS(=O)(=O)c1cncnc1[C@@H]1CCCN(C1)C(=O)C1(CCCC1)[*:1]
CS(=O)(=O)c1cncnc1[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 CS(=O)(=O)[*:1] O=C(N1CCC[C@H](C1)c1ncncc1[*:1])C1(CCCC1)c1ccc(F)cc1
CS(=O)(=O)c1cncnc1[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 CS(=O)(=O)c1cncnc1[*:1] O=C(N1CCC[C@H](C1)[*:1])C1(CCCC1)c1ccc(F)cc1
Cc1cc2nc(C)c(CCC(=O)N(CCO)Cc3ccccc3)c(C)n2n1 c1ccc(cc1)C[*:1] Cc1cc2nc(C)c(CCC(=O)N(CCO)[*:1])c(C)n2n1
Cc1cc2nc(C)c(CCC(=O)N(CCO)Cc3ccccc3)c(C)n2n1 OCC[*:1] Cc1cc2nc(C)c(CCC(=O)N(Cc3ccccc3)[*:1])c(C)n2n1
Cc1cc2nc(C)c(CCC(=O)N(CCO)Cc3ccccc3)c(C)n2n1 c1ccc(cc1)[*:1] Cc1cc2nc(C)c(CCC(=O)N(CCO)C[*:1])c(C)n2n1
CCCCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccn1 c1ccc(nc1)[*:1] CCCCCOC(=O)[C@@H]1CCCN1C(=O)[*:1]
CCCCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccn1 CCC[*:1] O=C(OCC[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
CCCCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccn1 CCCC[*:1] O=C(OC[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
CCCCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccn1 CCCCC[*:1] O=C(O[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
O=C(Cc1ccc(F)cc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 c1cc(ccn1)[*:1] O=C(Cc1ccc(F)cc1)NCc1cc(n(n1)C1CCCC1)[*:1]
O=C(Cc1ccc(F)cc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 C1CCC(C1)[*:1] O=C(Cc1ccc(F)cc1)NCc1cc(-c2ccncc2)n(n1)[*:1]
O=C(Cc1ccc(F)cc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NCc1cc(-c2ccncc2)n(n1)C1CCCC1
O=C(Cc1ccc(F)cc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 Fc1ccc(cc1)C[*:1] O=C(NCc1cc(-c2ccncc2)n(n1)C1CCCC1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cc3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cc3)cc2)n1 O=C(Nc1ccc(Cl)cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)Nc1ccccc1[*:1]
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cc3)cc2)n1 Clc1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
CNC(=O)C1(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)CCCCC1 CNC(=O)[*:1] O=C(NC1(CCCCC1)[*:1])c1ccc([nH]c1=O)-c1ccco1
CNC(=O)C1(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)CCCCC1 c1coc(c1)[*:1] CNC(=O)C1(CCCCC1)NC(=O)c1ccc([nH]c1=O)[*:1]
Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c12 c1coc(c1)[*:1] Cc1noc2nc(cc(C(=O)NCc3ccc(cc3)S(=O)(=O)N3CCOCC3)c12)[*:1]
Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c12 O=S(=O)(N1CCOCC1)[*:1] Cc1noc2nc(cc(C(=O)NCc3ccc(cc3)[*:1])c12)-c1ccco1
Cc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2)c(Br)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@H](C)NC(=O)[*:1])c(Br)c1
Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(F)cc3s2)cc1 Cc1ccc(cc1)[*:1] O=C(N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1)[*:1]
CC(C)CC[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 CC(C)CC[*:1] CC(C)(C)C(=O)N1CCC(CC1)[NH2+][*:1]
CC(C)CC[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 CC(C)[*:1] CC(C)(C)C(=O)N1CCC(CC1)[NH2+]CC[*:1]
CC(C)CC[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)CC[NH2+]C1CCN(CC1)C(=O)[*:1]
CC(C)CC[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 CC(C)C[*:1] CC(C)(C)C(=O)N1CCC(CC1)[NH2+]C[*:1]
CCN(CC)C(=O)COc1cc(C)ccc1C(=O)[O-] O=C([O-])[*:1] CCN(CC)C(=O)COc1cc(C)ccc1[*:1]
Cc1cccc(N)c1-c1nc2nc(N(C)C)ccc2[nH]1 CN(C)[*:1] Cc1cccc(N)c1-c1nc2nc(ccc2[nH]1)[*:1]
Cc1ncc([C@H](C)[NH2+][C@@H](C)COc2ccc(F)cc2F)s1 Cc1ncc(s1)[*:1] C[C@@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)[*:1]
C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccc(F)c(F)c1 C[C@H](c1ccco1)[*:1] C[C@H](NC(=O)N(C1CC1)[*:1])c1ccc(F)c(F)c1
C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)[*:1]
C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccc(F)c(F)c1 C1CC1[*:1] C[C@H](NC(=O)N([C@H](C)c1ccco1)[*:1])c1ccc(F)c(F)c1
C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1ccc(F)c(F)c1 c1coc(c1)[*:1] C[C@H](NC(=O)N(C1CC1)[C@H](C)[*:1])c1ccc(F)c(F)c1
COCc1nnc(SCCC(=O)Nc2ccc3c(c2)OCCO3)n1N COC[*:1] Nn1c(nnc1[*:1])SCCC(=O)Nc1ccc2OCCOc2c1
CC(C)CCC[C@H](C)NC(=O)C(=O)Nc1cccnc1Br Brc1ncccc1[*:1] CC(C)CCC[C@H](C)NC(=O)C(=O)N[*:1]
CC(C)CCC[C@H](C)NC(=O)C(=O)Nc1cccnc1Br CC(C)C[*:1] C[C@@H](CC[*:1])NC(=O)C(=O)Nc1cccnc1Br
CC(C)CCC[C@H](C)NC(=O)C(=O)Nc1cccnc1Br CC(C)[*:1] C[C@@H](CCC[*:1])NC(=O)C(=O)Nc1cccnc1Br
CC(C)CCC[C@H](C)NC(=O)C(=O)Nc1cccnc1Br CC(C)CCC[*:1] C[C@H](NC(=O)C(=O)Nc1cccnc1Br)[*:1]
CC(C)CCC[C@H](C)NC(=O)C(=O)Nc1cccnc1Br CC(C)CC[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1cccnc1Br
Cc1ccc(OCC(=O)C(C)(C)C)c([N+](=O)[O-])n1 CC(C)(C)C(=O)[*:1] Cc1ccc(OC[*:1])c(n1)[N+](=O)[O-]
Cc1ccc(OCC(=O)C(C)(C)C)c([N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1ccc(OCC(=O)C(C)(C)C)c(n1)[*:1]
Cc1ccc(OCC(=O)C(C)(C)C)c([N+](=O)[O-])n1 CC(C)(C)[*:1] Cc1ccc(OCC(=O)[*:1])c(n1)[N+](=O)[O-]
COc1ccsc1S(=O)(=O)N(C)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] COc1ccsc1S(=O)(=O)N(C)C[*:1]
Cn1c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c2ccccc21 Fc1ccc(cc1F)[*:1] Cn1c(=O)n(CC(=O)N2CCN(CC2)S(=O)(=O)[*:1])c2ccccc21
CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc1 CCc1ccc(cc1)[*:1] CN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
O=S(=O)([N-]c1cccc2ccncc12)c1cn[nH]c1 c1n[nH]cc1[*:1] O=S(=O)([N-]c1cccc2ccncc12)[*:1]
COc1ccccc1CCNC(=O)Cc1cn(C)c2ccccc12 COc1ccccc1[*:1] Cn1cc(CC(=O)NCC[*:1])c2ccccc21
CC(=C/C(=O)[O-])/C=C/c1ccc2ccccc2c1 CC(=CC(=O)[O-])[*:1] C(=C[*:1])c1ccc2ccccc2c1
CC(=C/C(=O)[O-])/C=C/c1ccc2ccccc2c1 O=C([O-])[*:1] CC(=C[*:1])/C=C/c1ccc2ccccc2c1
C[C@@H](OC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)c1cnc2ccccc2c1 CC(C)(C)[*:1] C[C@@H](OC(=O)[C@H]1CSCN1C(=O)[*:1])c1cnc2ccccc2c1
CCn1cc[nH+]c1CN1CCN(CC(=O)NC(=O)NC2CC2)CC1 C1CC1[*:1] CCn1cc[nH+]c1CN1CCN(CC1)CC(=O)NC(=O)N[*:1]
CN(Cc1cccc(C#N)c1)C(=O)c1cccc(OCC(N)=O)c1 NC(=O)[*:1] CN(Cc1cccc(C#N)c1)C(=O)c1cccc(c1)OC[*:1]
CN(Cc1cccc(C#N)c1)C(=O)c1cccc(OCC(N)=O)c1 NC(=O)CO[*:1] CN(Cc1cccc(C#N)c1)C(=O)c1cccc(c1)[*:1]
CN(Cc1cccc(C#N)c1)C(=O)c1cccc(OCC(N)=O)c1 NC(=O)C[*:1] CN(Cc1cccc(C#N)c1)C(=O)c1cccc(c1)O[*:1]
CN(Cc1cccc(C#N)c1)C(=O)c1cccc(OCC(N)=O)c1 N#Cc1cccc(c1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)OCC(N)=O
CC(C)Cc1nnc(NC(=O)C(=O)NCCC2CCCCC2)s1 CC(C)[*:1] O=C(NCCC1CCCCC1)C(=O)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)C(=O)NCCC2CCCCC2)s1 C1CCC(CC1)C[*:1] CC(C)Cc1nnc(NC(=O)C(=O)NC[*:1])s1
CC(C)Cc1nnc(NC(=O)C(=O)NCCC2CCCCC2)s1 C1CCC(CC1)[*:1] CC(C)Cc1nnc(NC(=O)C(=O)NCC[*:1])s1
CC(C)Cc1nnc(NC(=O)C(=O)NCCC2CCCCC2)s1 CC(C)C[*:1] O=C(NCCC1CCCCC1)C(=O)Nc1nnc(s1)[*:1]
CCc1ccc([C@H](O)c2cc(C(F)(F)F)ccc2F)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)[C@H](O)c1cc(ccc1F)[*:1]
CC(C)[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)[O-] Clc1cccc(Cl)c1[*:1] CC(C)[C@H](NC(=O)Cc1csc(n1)[*:1])C(=O)[O-]
CC(C)[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)[O-] CC(C)[*:1] O=C(Cc1csc(n1)-c1c(Cl)cccc1Cl)N[C@H](C(=O)[O-])[*:1]
CC(C)[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NC(=O)Cc1csc(n1)-c1c(Cl)cccc1Cl)[*:1]
CCOC(=O)C1(NC(=O)c2cccc3ncccc23)CCCCC1 CCOC(=O)[*:1] O=C(NC1(CCCCC1)[*:1])c1cccc2ncccc12
CCC[NH2+]C[C@@H](CCC)c1ccc(C)cc1 CCC[*:1] CCC[NH2+]C[C@@H](c1ccc(C)cc1)[*:1]
CCC[NH2+]C[C@@H](CCC)c1ccc(C)cc1 CCC[*:1] CCC[C@H](C[NH2+][*:1])c1ccc(C)cc1
CCOC(=O)c1cccc(N2C(=O)COc3c(OC)cccc3[C@H]2C(=O)NC2CCCC2)c1 CCOC(=O)c1cccc(c1)[*:1] COc1cccc2c1OCC(=O)N([C@@H]2C(=O)NC1CCCC1)[*:1]
CCOC(=O)c1cccc(N2C(=O)COc3c(OC)cccc3[C@H]2C(=O)NC2CCCC2)c1 O=C(NC1CCCC1)[*:1] CCOC(=O)c1cccc(c1)N1C(=O)COc2c(cccc2[C@@H]1[*:1])OC
CCOC(=O)c1cccc(N2C(=O)COc3c(OC)cccc3[C@H]2C(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] CCOC(=O)c1cccc(c1)N1C(=O)COc2c(cccc2[C@H]1C(=O)N[*:1])OC
CCOC(=O)c1cccc(N2C(=O)COc3c(OC)cccc3[C@H]2C(=O)NC2CCCC2)c1 CCOC(=O)[*:1] COc1cccc2c1OCC(=O)N(c1cccc(c1)[*:1])[C@@H]2C(=O)NC1CCCC1
CN1C(=O)Cc2cc(-c3csc(NCC4CCC4)n3)ccc21 C1CC(C1)[*:1] CN1C(=O)Cc2cc(ccc21)-c1csc(n1)NC[*:1]
CN1C(=O)Cc2cc(-c3csc(NCC4CCC4)n3)ccc21 C1CC(C1)CN[*:1] CN1C(=O)Cc2cc(ccc21)-c1csc(n1)[*:1]
CN1C(=O)Cc2cc(-c3csc(NCC4CCC4)n3)ccc21 C1CC(C1)C[*:1] CN1C(=O)Cc2cc(ccc21)-c1csc(n1)N[*:1]
CC[C@@H](C)Oc1ccccc1C[NH2+]C1CCCCC1 CC[C@@H](C)O[*:1] c1ccc(c(c1)C[NH2+]C1CCCCC1)[*:1]
CC[C@@H](C)Oc1ccccc1C[NH2+]C1CCCCC1 CC[C@@H](C)[*:1] c1ccc(O[*:1])c(c1)C[NH2+]C1CCCCC1
CC[C@@H](C)Oc1ccccc1C[NH2+]C1CCCCC1 C1CCC(CC1)[*:1] CC[C@@H](C)Oc1ccccc1C[NH2+][*:1]
Cc1ccc(/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(Nc1nccs1)c1cc2ccccc2oc1=[NH+][*:1]
Cc1ccc(/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c(F)c1 c1csc(n1)[*:1] Cc1ccc(/[NH+]=c2\oc3ccccc3cc2C(=O)N[*:1])c(F)c1
Cc1ccc(/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c(F)c1 O=C(Nc1nccs1)[*:1] Cc1ccc(/[NH+]=c2\oc3ccccc3cc2[*:1])c(F)c1
Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Cl)O3)CN(CC(C)C)CO2 Clc1ccccc1[*:1] Cc1cc2OCN(Cc2c2OC(=C[*:1])C(=O)c12)CC(C)C
Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Cl)O3)CN(CC(C)C)CO2 CC(C)[*:1] Cc1cc2OCN(Cc2c2O/C(=C\c3ccccc3Cl)C(=O)c12)C[*:1]
Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Cl)O3)CN(CC(C)C)CO2 CC(C)C[*:1] Cc1cc2OCN(Cc2c2O/C(=C\c3ccccc3Cl)C(=O)c12)[*:1]
COc1ncccc1CNC(=O)N[C@@H](C)c1cnn(-c2ccc(C)cc2)c1C Cc1ccc(cc1)[*:1] COc1ncccc1CNC(=O)N[C@@H](C)c1cnn(c1C)[*:1]
COc1ncccc1CNC(=O)N[C@@H](C)c1cnn(-c2ccc(C)cc2)c1C COc1ncccc1[*:1] Cc1ccc(cc1)-n1ncc(c1C)[C@H](C)NC(=O)NC[*:1]
COc1ncccc1CNC(=O)N[C@@H](C)c1cnn(-c2ccc(C)cc2)c1C COc1ncccc1C[*:1] Cc1ccc(cc1)-n1ncc(c1C)[C@H](C)NC(=O)N[*:1]
O=C(N/N=C/c1ccccc1)C(=O)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(NN=C[*:1])C(=O)Nc1ccccc1F
O=C(N/N=C/c1ccccc1)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(N/N=C/c1ccccc1)C(=O)N[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)C1 CC(=O)NC[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)C1 CC(C)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)Nc1ccc(c(F)c1)N(C)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)C1 CC(=O)N[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)N1CCC[C@@H](C1)C[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)C1 CC(C)N(C)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)Nc1ccc(c(F)c1)[*:1]
Cc1[nH+]ccn1CCCC(=O)N(C)Cc1cc(-c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1[nH+]ccn1CCCC(=O)N(C)Cc1cc(no1)[*:1]
Cc1cccc(C(=O)N2CCCC2)c1[N-]S(=O)(=O)CC1CCC1 O=C(N1CCCC1)[*:1] Cc1cccc(c1[N-]S(=O)(=O)CC1CCC1)[*:1]
Cc1cccc(C(=O)N2CCCC2)c1[N-]S(=O)(=O)CC1CCC1 C1CC(C1)C[*:1] Cc1cccc(C(=O)N2CCCC2)c1[N-]S(=O)(=O)[*:1]
Cc1cccc(C(=O)N2CCCC2)c1[N-]S(=O)(=O)CC1CCC1 C1CC(C1)[*:1] Cc1cccc(C(=O)N2CCCC2)c1[N-]S(=O)(=O)C[*:1]
CN1C[C@H](C(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)CC1=O Fc1cccc(Cl)c1[*:1] CN1C[C@@H](CC1=O)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1nc(CC(=O)Nc2cccc(CS(C)(=O)=O)c2)cs1 Cc1nc(cs1)[*:1] CS(=O)(=O)Cc1cccc(c1)NC(=O)C[*:1]
Cc1nc(CC(=O)Nc2cccc(CS(C)(=O)=O)c2)cs1 CS(=O)(=O)C[*:1] Cc1nc(cs1)CC(=O)Nc1cccc(c1)[*:1]
Cc1nc(CC(=O)Nc2cccc(CS(C)(=O)=O)c2)cs1 CS(=O)(=O)[*:1] Cc1nc(cs1)CC(=O)Nc1cccc(c1)C[*:1]
Cc1nc(CC(=O)Nc2cccc(CS(C)(=O)=O)c2)cs1 Cc1nc(cs1)C[*:1] CS(=O)(=O)Cc1cccc(c1)NC(=O)[*:1]
COc1cccc(NC(=O)Nc2cnn(CCN3CCOCC3)c2)c1 C1CN(CCO1)CC[*:1] COc1cccc(c1)NC(=O)Nc1cnn(c1)[*:1]
COc1cccc(NC(=O)Nc2cnn(CCN3CCOCC3)c2)c1 C1CN(CCO1)C[*:1] COc1cccc(c1)NC(=O)Nc1cnn(c1)C[*:1]
COc1cccc(NC(=O)Nc2cnn(CCN3CCOCC3)c2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)NC(=O)Nc1cnn(c1)CC[*:1]
COc1cccc(NC(=O)Nc2cnn(CCN3CCOCC3)c2)c1 COc1cccc(c1)[*:1] O=C(Nc1cnn(c1)CCN1CCOCC1)N[*:1]
O=C(NNC(=S)NC(=O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 Brc1ccccc1[*:1] O=C(NNC(=S)NC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(NNC(=S)NC(=O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NNC(=S)NC(=O)c1ccccc1Br)c1cccc(c1)[*:1]
C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1[*:1])NC(=O)c1ccc(c(O)c1)[N+](=O)[O-]
C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CN1c1ccccc1 O=[N+]([O-])[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)c1ccc(c(O)c1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](C(N)=S)C1 CS(=O)(=O)[*:1] NC(=S)[C@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](C(N)=S)C1 NC(=S)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[*:1]
Cc1ncsc1CCOC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] Cc1ncsc1CCOC(=O)[C@@H]1CCN(C1=O)[*:1]
Cc1ncsc1CCOC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O Cc1ncsc1C[*:1] O=C(OC[*:1])[C@@H]1CCN(C1=O)c1ccc(F)cc1
Cc1ncsc1CCOC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O Cc1ncsc1[*:1] O=C(OCC[*:1])[C@@H]1CCN(C1=O)c1ccc(F)cc1
Cc1ncsc1CCOC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O Cc1ncsc1CC[*:1] O=C(O[*:1])[C@@H]1CCN(C1=O)c1ccc(F)cc1
CC(=O)C1=C(C)C(C(=O)OCc2csc(-c3ccc(C)cc3)n2)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)OCc1csc(n1)-c1ccc(C)cc1
CC(=O)C1=C(C)C(C(=O)OCc2csc(-c3ccc(C)cc3)n2)=N[C@H]1C Cc1ccc(cc1)[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)OCc1csc(n1)[*:1]
FC(F)(F)c1cccc(-c2nnn(Cc3nc4ccccc4s3)n2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])-c1nnn(Cc2nc3ccccc3s2)n1
CO[C@@H]1CCCOC12CCN(S(=O)(=O)c1cn(C)cn1)CC2 Cn1cnc(c1)[*:1] CO[C@@H]1CCCOC12CCN(CC2)S(=O)(=O)[*:1]
CNC(=O)c1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 Cc1ccc(cc1)O[*:1] CNC(=O)c1ccc(Cl)cc1NC(=O)[C@H](C)[*:1]
CNC(=O)c1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)Nc1cc(Cl)ccc1[*:1]
CNC(=O)c1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNC(=O)c1ccc(Cl)cc1NC(=O)[C@H](C)O[*:1]
Cn1c([O-])c(C2=NO[C@H](c3ccc4c(c3)OCO4)C2)c(=O)c2ccccc21 c1cc2OCOc2cc1[*:1] Cn1c([O-])c(C2C[C@@H](ON=2)[*:1])c(=O)c2ccccc21
COc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccc(C)c(C)c3)c2cc1OC Cc1ccc(cc1C)NC(=O)[*:1] COc1cc2c(=O)c(cn(C[*:1])c2cc1OC)C(=O)c1ccncc1
COc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccc(C)c(C)c3)c2cc1OC c1cc(ccn1)[*:1] COc1cc2c(=O)c(cn(CC(=O)Nc3ccc(C)c(C)c3)c2cc1OC)C(=O)[*:1]
COc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccc(C)c(C)c3)c2cc1OC O=C(c1ccncc1)[*:1] COc1cc2c(=O)c(cn(CC(=O)Nc3ccc(C)c(C)c3)c2cc1OC)[*:1]
COc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccc(C)c(C)c3)c2cc1OC Cc1ccc(cc1C)[*:1] COc1cc2c(=O)c(cn(CC(=O)N[*:1])c2cc1OC)C(=O)c1ccncc1
Cc1c(-c2nnc(-c3ccccc3)o2)nnn1-c1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1c(nnn1-c1ccc(F)cc1)-c1nnc(o1)[*:1]
Cc1c(-c2nnc(-c3ccccc3)o2)nnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])-c1nnc(o1)-c1ccccc1
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1 COC(=O)[*:1] COC(=O)c1ccc(c(c1)S(=O)(=O)Nc1c(C)cc(C)cc1C)[*:1]
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1 Cc1cc(C)c(c(C)c1)[*:1] COC(=O)c1ccc(C(=O)OC)c(c1)S(=O)(=O)N[*:1]
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1 COC(=O)[*:1] COC(=O)c1ccc(cc1S(=O)(=O)Nc1c(C)cc(C)cc1C)[*:1]
COc1cccc(NC(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCCS4)c1 COc1cccc(c1)[*:1] O=C(Cn1c2ccccc2c2nc3SCCCn3c(=O)c21)N[*:1]
Fc1ccc(CC[NH2+]Cc2cccc(C3CC3)c2)cc1 C1CC1[*:1] Fc1ccc(cc1)CC[NH2+]Cc1cccc(c1)[*:1]
CN(C)CC[NH+](Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] CN(C)CC[NH+](Cc1ccccc1)C[*:1]
CN(C)CC[NH+](Cc1ccccc1)Cc1ccccc1 CN(C)C[*:1] c1ccc(cc1)C[NH+](Cc1ccccc1)C[*:1]
CN(C)CC[NH+](Cc1ccccc1)Cc1ccccc1 CN(C)[*:1] c1ccc(cc1)C[NH+](CC[*:1])Cc1ccccc1
Nc1ncc(CN2C(=O)NC3(CCCCC3)C2=O)s1 Nc1ncc(s1)[*:1] O=C1NC2(CCCCC2)C(=O)N1C[*:1]
C[C@@H](NC(=O)N(CCCCO)C1CC1)c1ccc2ccccc2c1 C1CC1[*:1] C[C@@H](NC(=O)N(CCCCO)[*:1])c1ccc2ccccc2c1
C[C@@H](NC(=O)N(CCCCO)C1CC1)c1ccc2ccccc2c1 OCCCC[*:1] C[C@@H](NC(=O)N(C1CC1)[*:1])c1ccc2ccccc2c1
C[C@@H](NC(=O)N(CCCCO)C1CC1)c1ccc2ccccc2c1 OCC[*:1] C[C@@H](NC(=O)N(CC[*:1])C1CC1)c1ccc2ccccc2c1
C[C@@H](NC(=O)N(CCCCO)C1CC1)c1ccc2ccccc2c1 OCCC[*:1] C[C@@H](NC(=O)N(C[*:1])C1CC1)c1ccc2ccccc2c1
O=C1C[C@@H](c2ccc(OC3CCCC3)cc2)c2c[nH]nc2N1 C1CCC(C1)[*:1] O=C1C[C@@H](c2ccc(cc2)O[*:1])c2c[nH]nc2N1
O=C1C[C@@H](c2ccc(OC3CCCC3)cc2)c2c[nH]nc2N1 C1CCC(C1)O[*:1] O=C1C[C@@H](c2ccc(cc2)[*:1])c2c[nH]nc2N1
Cc1cnc(N2CCC(OC[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(c(c1)[*:1])N1CCC(CC1)OC[C@H]1CCCO1
Cc1cnc(N2CCC(OC[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 C1CO[C@H](C1)C[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N1CCC(CC1)O[*:1]
Cc1cnc(N2CCC(OC[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 C1CO[C@H](C1)[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N1CCC(CC1)OC[*:1]
Cc1cnc(N2CCC(OC[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 C1CO[C@H](C1)CO[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N1CCC(CC1)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)[C@@H]2CC2(Cl)Cl)nn1 Cc1ccc(nn1)[*:1] Cc1cc(NC(=O)[C@@H]2CC2(Cl)Cl)n(n1)[*:1]
CCCC(=CC(=O)N1CCCC[C@@H]1C1OCCO1)CCC C1COC(O1)[*:1] CCCC(=CC(=O)N1CCCC[C@H]1[*:1])CCC
CCCC(=CC(=O)N1CCCC[C@@H]1C1OCCO1)CCC CCC[*:1] CCCC(=CC(=O)N1CCCC[C@@H]1C1OCCO1)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCC1(C)CCCC1 CC1(CCCC1)C[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCC1(C)CCCC1 CC1(CCCC1)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCC1(C)CCCC1 CC[S@](=O)[*:1] CC1(CCCC1)CNC(=O)N[C@H]1CCCC[C@H]1[*:1]
NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)C(=O)N1CC[NH+](CC1)C[*:1]
COc1ccccc1N1CCN(C(=O)[C@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)CC1 CC(C)(C)[*:1] COc1ccccc1N1CCN(CC1)C(=O)[C@H]1CSc2nc(cc(=O)n2C1)[*:1]
COc1ccccc1N1CCN(C(=O)[C@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)CC1 COc1ccccc1[*:1] CC(C)(C)c1cc(=O)n2C[C@H](CSc2n1)C(=O)N1CCN(CC1)[*:1]
CC(=O)[C@]1(O)[C@@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C CC(=O)[*:1] C[C@H]1C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@]1(O)[*:1]
Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3F)CC2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)[C@H](c1nnnn1[*:1])N1CCN(CC1)c1ccccc1F
Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3F)CC2)cc1 CC(C)(C)n1nnnc1[*:1] Cc1ccc(cc1)[C@H](N1CCN(CC1)c1ccccc1F)[*:1]
Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3F)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)n1nnnc1[C@H](N1CCN(CC1)c1ccccc1F)[*:1]
Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)[C@H](c1nnnn1C(C)(C)C)N1CCN(CC1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
Cc1cc(C)c(O)c(C(=O)N2CCC[C@H]2c2nncn2C)c1 Cn1cnnc1[*:1] Cc1cc(C)c(O)c(c1)C(=O)N1CCC[C@@H]1[*:1]
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)CCC1CC1 C1CC1C[*:1] N#CCOc1cc(F)ccc1[N-]S(=O)(=O)C[*:1]
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)CCC1CC1 N#CCO[*:1] O=S(=O)(CCC1CC1)[N-]c1ccc(F)cc1[*:1]
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)CCC1CC1 C1CC1[*:1] N#CCOc1cc(F)ccc1[N-]S(=O)(=O)CC[*:1]
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)CCC1CC1 N#CC[*:1] O=S(=O)(CCC1CC1)[N-]c1ccc(F)cc1O[*:1]
N#CCOc1cc(F)ccc1[N-]S(=O)(=O)CCC1CC1 C1CC1CC[*:1] N#CCOc1cc(F)ccc1[N-]S(=O)(=O)[*:1]
CCCc1ccc([C@](C)(O)[C@H](F)C(=O)OCC)cc1 CCOC(=O)[*:1] CCCc1ccc(cc1)[C@](C)(O)[C@H](F)[*:1]
CCCc1ccc([C@](C)(O)[C@H](F)C(=O)OCC)cc1 CCC[*:1] CCOC(=O)[C@@H](F)[C@@](C)(O)c1ccc(cc1)[*:1]
O=C(NCCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 c1ccc(cc1)C[*:1] O=C(NCCCc1ccccc1)c1ccc2OCC(=O)N(c2c1)[*:1]
O=C(NCCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 c1ccc(cc1)CCC[*:1] O=C(N[*:1])c1ccc2OCC(=O)N(Cc3ccccc3)c2c1
O=C(NCCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 c1ccc(cc1)[*:1] O=C(NCCCc1ccccc1)c1ccc2OCC(=O)N(C[*:1])c2c1
O=C(NCCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 c1ccc(cc1)C[*:1] O=C(NCC[*:1])c1ccc2OCC(=O)N(Cc3ccccc3)c2c1
O=C(NCCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 c1ccc(cc1)CC[*:1] O=C(NC[*:1])c1ccc2OCC(=O)N(Cc3ccccc3)c2c1
O=C(NCCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 c1ccc(cc1)[*:1] O=C(NCCC[*:1])c1ccc2OCC(=O)N(Cc3ccccc3)c2c1
Nc1ccc(Cl)nc1C(=O)OCc1nc(-c2ccsc2)no1 c1cc(cs1)[*:1] Nc1ccc(Cl)nc1C(=O)OCc1nc(no1)[*:1]
CCCC(O)(CCC)CC(=O)N1CC[C@H](C)[C@@H](O)C1 CCC[*:1] CCCC(O)(CC(=O)N1CC[C@H](C)[C@@H](O)C1)[*:1]
C[C@H](NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1)c1nncn1C FC(F)O[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(cc1)[*:1])c1nncn1C
C[C@H](NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(cc1)OC(F)F)[*:1]
C[C@H](NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1)c1nncn1C C[C@H](c1nncn1C)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)OC(F)F
C[C@H](NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1)c1nncn1C FC(F)[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(cc1)O[*:1])c1nncn1C
CCOC(=O)[C@H](CC(C)C)Nc1ncnc2onc(C)c12 CC(C)C[*:1] CCOC(=O)[C@H](Nc1ncnc2onc(C)c12)[*:1]
CCOC(=O)[C@H](CC(C)C)Nc1ncnc2onc(C)c12 CCOC(=O)[*:1] Cc1noc2ncnc(N[C@@H](CC(C)C)[*:1])c12
CCOC(=O)[C@H](CC(C)C)Nc1ncnc2onc(C)c12 CC(C)[*:1] CCOC(=O)[C@H](C[*:1])Nc1ncnc2onc(C)c12
COc1ccc(C[NH2+]Cc2cccn2-c2sc(C)c(C)c2C(=O)[O-])cc1 COc1ccc(cc1)[*:1] Cc1sc(c(C(=O)[O-])c1C)-n1cccc1C[NH2+]C[*:1]
COc1ccc(C[NH2+]Cc2cccn2-c2sc(C)c(C)c2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)C[NH2+]Cc1cccn1-c1sc(C)c(C)c1[*:1]
CCCc1n[nH]c(C(=O)NC2(CC(=O)[O-])CCC2)n1 O=C([O-])C[*:1] CCCc1n[nH]c(n1)C(=O)NC1(CCC1)[*:1]
CCCc1n[nH]c(C(=O)NC2(CC(=O)[O-])CCC2)n1 O=C([O-])[*:1] CCCc1n[nH]c(n1)C(=O)NC1(CCC1)C[*:1]
CCCc1n[nH]c(C(=O)NC2(CC(=O)[O-])CCC2)n1 CCC[*:1] O=C([O-])CC1(CCC1)NC(=O)c1nc(n[nH]1)[*:1]
C[C@]1(C[NH2+][C@@H]2CCc3ccccc3C2)CCCO1 C[C@@]1(CCCO1)[*:1] c1ccc2C[C@@H](CCc2c1)[NH2+]C[*:1]
COC(=O)[C@@H](NC(=O)c1ccc(C)cc1F)c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] COC(=O)[C@@H](NC(=O)c1ccc(C)cc1F)[*:1]
COC(=O)[C@@H](NC(=O)c1ccc(C)cc1F)c1ccc(Cl)c(F)c1 Cc1ccc(c(F)c1)[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@@H](NC(=O)c1ccc(C)cc1F)c1ccc(Cl)c(F)c1 COC(=O)[*:1] Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)c(F)c2)[*:1])c(F)c1
CC(C)c1ccc(NC(=O)CC[NH+]2CCN(C[C@H]3CCCO3)CC2)cc1 C1CO[C@H](C1)C[*:1] CC(C)c1ccc(cc1)NC(=O)CC[NH+]1CCN(CC1)[*:1]
CC(C)c1ccc(NC(=O)CC[NH+]2CCN(C[C@H]3CCCO3)CC2)cc1 C1CO[C@H](C1)[*:1] CC(C)c1ccc(cc1)NC(=O)CC[NH+]1CCN(CC1)C[*:1]
CC(C)c1ccc(NC(=O)CC[NH+]2CCN(C[C@H]3CCCO3)CC2)cc1 CC(C)[*:1] O=C(CC[NH+]1CCN(CC1)C[C@H]1CCCO1)Nc1ccc(cc1)[*:1]
CCOC(=O)[C@@]1(C)CCN(Cc2cc(Br)c(OC)s2)C1 CCOC(=O)[*:1] COc1sc(cc1Br)CN1CC[C@](C)(C1)[*:1]
COC(=O)Cc1nnc(NC(=O)c2ccccc2C)s1 COC(=O)C[*:1] Cc1ccccc1C(=O)Nc1nnc(s1)[*:1]
COC(=O)Cc1nnc(NC(=O)c2ccccc2C)s1 COC(=O)[*:1] Cc1ccccc1C(=O)Nc1nnc(C[*:1])s1
CC[C@H](C)NC(=O)CCNC(=O)N1CCC[C@H](O)C1 CC[C@H](C)[*:1] O=C(CCNC(=O)N1CCC[C@H](O)C1)N[*:1]
CC[C@@H](C)[C@]1(C[NH2+]C)CCOC1 CC[C@@H](C)[*:1] C[NH2+]C[C@@]1(CCOC1)[*:1]
C[C@H](Cn1ccc([C@H](O)C2CC2)c1)C(N)=O C1CC1[*:1] C[C@H](Cn1ccc(c1)[C@H](O)[*:1])C(N)=O
C[C@H](Cn1ccc([C@H](O)C2CC2)c1)C(N)=O C[C@H](C(N)=O)[*:1] O[C@@H](c1ccn(c1)C[*:1])C1CC1
C[C@H](Cn1ccc([C@H](O)C2CC2)c1)C(N)=O O[C@H](C1CC1)[*:1] C[C@H](Cn1ccc(c1)[*:1])C(N)=O
C[C@H](Cn1ccc([C@H](O)C2CC2)c1)C(N)=O NC(=O)[*:1] C[C@H](Cn1ccc(c1)[C@H](O)C1CC1)[*:1]
CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 CCOc1ccc(cc1)[*:1] N#CC1=C(N)S[C@@H]2C(=O)N(C(=O)[C@H]2[C@@H]1[*:1])c1ccc(Cl)cc1
CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 CCO[*:1] N#CC1=C(N)S[C@@H]2C(=O)N(C(=O)[C@H]2[C@@H]1c1ccc(cc1)[*:1])c1ccc(Cl)cc1
CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H]1C(C#N)=C(N)S[C@@H]2C(=O)N(C(=O)[C@H]21)[*:1]
O=C(c1csc(-c2ccccc2)n1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 c1cc(cs1)[*:1] O=C(c1csc(n1)-c1ccccc1)N1CCN(CC1)Cc1nc(no1)[*:1]
O=C(c1csc(-c2ccccc2)n1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 c1cc(cs1)-c1noc(n1)[*:1] O=C(c1csc(n1)-c1ccccc1)N1CCN(CC1)C[*:1]
O=C(c1csc(-c2ccccc2)n1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 c1ccc(cc1)[*:1] O=C(c1csc(n1)[*:1])N1CCN(CC1)Cc1nc(no1)-c1ccsc1
C[C@H]1Cc2ccc(C3CC3)cc2[C@H](C(=O)[O-])[NH2+]1 O=C([O-])[*:1] C[C@H]1Cc2ccc(cc2[C@H]([NH2+]1)[*:1])C1CC1
C[C@H]1Cc2ccc(C3CC3)cc2[C@H](C(=O)[O-])[NH2+]1 C1CC1[*:1] C[C@H]1Cc2ccc(cc2[C@@H]([NH2+]1)C(=O)[O-])[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)C[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N(C[C@H]1CCCO1)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N(C[C@H]1CCCO1)C[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1cccs1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1cccs1)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1cccs1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1cccs1)C[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1cccs1)C[C@H]1CCCO1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(C[*:1])N(Cc1cccs1)C[C@H]1CCCO1
CCc1nn(C)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC CCc1nn(C)cc1[*:1] COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[*:1]
CCc1nn(C)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC COc1ccc(C)cc1[*:1] CCc1nn(C)cc1C(=O)N1CCC[C@H]1C(=O)N[*:1]
N#Cc1csc(C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)c1 c1ncn(n1)[*:1] N#Cc1csc(c1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
N#Cc1csc(C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)c1 N#Cc1csc(c1)[*:1] O=C(Nc1ccc(c(Cl)c1)-n1cncn1)[*:1]
COc1ccc(-c2noc(-c3ccc(N)cc3)n2)cc1OC Nc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1noc(n1)[*:1]
O=Cc1cn(-c2ccc(Cl)cc2)nc1C(=O)[O-] O=C([O-])[*:1] O=Cc1cn(nc1[*:1])-c1ccc(Cl)cc1
Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1 Cc1cc(F)ccc1[*:1] O=C(CC[C@H]1CCCN(C1)C(=O)C[NH+]1CCCCCC1)N[*:1]
[NH2+]=C1Cc2ncnn2C(N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)=NN1 Clc1ccc(cc1)[*:1] [NH2+]=C1Cc2ncnn2C(=NN1)N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
[NH2+]=C1Cc2ncnn2C(N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)=NN1 FC(F)(F)[*:1] [NH2+]=C1Cc2ncnn2C(=NN1)N1N=C(C[C@]1(O)[*:1])c1ccc(Cl)cc1
CC1(C)C(c2ccccc2)=N[C@H](c2ccc(Br)cc2)N1O c1ccc(cc1)[*:1] CC1(C)C(=N[C@H](c2ccc(Br)cc2)N1O)[*:1]
CC1(C)C(c2ccccc2)=N[C@H](c2ccc(Br)cc2)N1O Brc1ccc(cc1)[*:1] CC1(C)C(=N[C@H](N1O)[*:1])c1ccccc1
BrC[C@@H](C[C@@H]1CCCO1)c1ccccc1Br C1CO[C@@H](C1)[*:1] BrC[C@@H](C[*:1])c1ccccc1Br
Cn1nccc1CSCC(=O)NC[C@H]1COc2ccccc2O1 Cn1nccc1[*:1] O=C(CSC[*:1])NC[C@H]1COc2ccccc2O1
Cn1nccc1CSCC(=O)NC[C@H]1COc2ccccc2O1 Cn1nccc1C[*:1] O=C(CS[*:1])NC[C@H]1COc2ccccc2O1
O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cc(F)cc(F)c1 Fc1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)N[*:1])c1ccccc1)c1cc(F)cc(F)c1
O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C(Nc1ccc(F)cc1)[C@H](OC(=O)[*:1])c1ccccc1
O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cc(F)cc(F)c1 c1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)[*:1])c1cc(F)cc(F)c1
Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(O)c3)C2=O)c(C)c1 Oc1cccc(c1)[*:1] Cc1ccc(N[C@@H]2CC(=O)N(C2=O)[*:1])c(C)c1
Cc1ccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c(=O)[nH]1 Cc1ccc(c(=O)[nH]1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[*:1]
Cc1ccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)NCc2c(C)nn(c2C)[*:1])c(=O)[nH]1
CCc1onc(C)c1NC(=O)c1cn(-c2ccc(C)cc2)nc1C(C)(C)C CCc1onc(C)c1[*:1] Cc1ccc(cc1)-n1cc(C(=O)N[*:1])c(n1)C(C)(C)C
CCc1onc(C)c1NC(=O)c1cn(-c2ccc(C)cc2)nc1C(C)(C)C CC(C)(C)[*:1] CCc1onc(C)c1NC(=O)c1cn(nc1[*:1])-c1ccc(C)cc1
CCc1onc(C)c1NC(=O)c1cn(-c2ccc(C)cc2)nc1C(C)(C)C Cc1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)c1cn(nc1C(C)(C)C)[*:1]
COc1ccc([C@@H](C)COC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1 COc1ccc(cc1)[*:1] C[C@@H](COC(=O)[C@@H]1CCCN1C(=O)c1ccccn1)[*:1]
COc1ccc([C@@H](C)COC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)[C@@H](C)COC(=O)[C@@H]1CCCN1C(=O)[*:1]
C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] C[C@@H]1CCC[C@H]1NC(=O)c1ccc(cc1)[*:1]
C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2ccnn2)cc1 C[C@@H]1CCC[C@@H]1[*:1] O=C(N[*:1])c1ccc(cc1)-n1ccnn1
CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C3CC3)on2)[nH]c1=O c1coc(c1)[*:1] CCc1c(C)nc([nH]c1=O)-n1nc(cc1NC(=O)c1cc(on1)C1CC1)[*:1]
CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C3CC3)on2)[nH]c1=O CCc1c(C)nc([nH]c1=O)[*:1] O=C(Nc1cc(nn1[*:1])-c1ccco1)c1cc(on1)C1CC1
CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C3CC3)on2)[nH]c1=O C1CC1[*:1] CCc1c(C)nc([nH]c1=O)-n1nc(cc1NC(=O)c1cc(on1)[*:1])-c1ccco1
CCc1c(C)nc(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C3CC3)on2)[nH]c1=O c1c(noc1C1CC1)[*:1] CCc1c(C)nc([nH]c1=O)-n1nc(cc1NC(=O)[*:1])-c1ccco1
C[C@@H](CCS(C)(=O)=O)NC(=O)c1cn(C)nc1-c1ccccc1 CS(=O)(=O)C[*:1] C[C@@H](C[*:1])NC(=O)c1cn(C)nc1-c1ccccc1
C[C@@H](CCS(C)(=O)=O)NC(=O)c1cn(C)nc1-c1ccccc1 CS(=O)(=O)[*:1] C[C@@H](CC[*:1])NC(=O)c1cn(C)nc1-c1ccccc1
C[C@@H](CCS(C)(=O)=O)NC(=O)c1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CCS(C)(=O)=O)NC(=O)c1cn(C)nc1[*:1]
C[C@@H](CCS(C)(=O)=O)NC(=O)c1cn(C)nc1-c1ccccc1 CS(=O)(=O)CC[*:1] C[C@@H](NC(=O)c1cn(C)nc1-c1ccccc1)[*:1]
COc1cc([C@@H]2c3c(-c4ccc(C)cc4)nn(C)c3C(=O)N2Cc2ccccc2)cc(OC)c1O Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1O)[C@@H]1c2c(nn(C)c2C(=O)N1Cc1ccccc1)[*:1]
COc1cc([C@@H]2c3c(-c4ccc(C)cc4)nn(C)c3C(=O)N2Cc2ccccc2)cc(OC)c1O c1ccc(cc1)C[*:1] COc1cc(cc(OC)c1O)[C@@H]1c2c(nn(C)c2C(=O)N1[*:1])-c1ccc(C)cc1
COc1cc([C@@H]2c3c(-c4ccc(C)cc4)nn(C)c3C(=O)N2Cc2ccccc2)cc(OC)c1O COc1cc(cc(OC)c1O)[*:1] Cc1ccc(cc1)-c1nn(C)c2C(=O)N(Cc3ccccc3)[C@@H](c12)[*:1]
COc1cc([C@@H]2c3c(-c4ccc(C)cc4)nn(C)c3C(=O)N2Cc2ccccc2)cc(OC)c1O c1ccc(cc1)[*:1] COc1cc(cc(OC)c1O)[C@@H]1c2c(nn(C)c2C(=O)N1C[*:1])-c1ccc(C)cc1
O=C(Cc1c[nH]c2ccccc12)NC1(C(=O)NC2CCCCC2)CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(Cc1c[nH]c2ccccc12)NC1(CCCCC1)[*:1]
O=C(Cc1c[nH]c2ccccc12)NC1(C(=O)NC2CCCCC2)CCCCC1 c1ccc2c(c[nH]c2c1)[*:1] O=C(C[*:1])NC1(CCCCC1)C(=O)NC1CCCCC1
O=C(Cc1c[nH]c2ccccc12)NC1(C(=O)NC2CCCCC2)CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1c[nH]c2ccccc12)NC1(CCCCC1)C(=O)N[*:1]
COCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 COc1ccc(cc1OC)[*:1] COCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1[*:1]
COCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 COCCC[*:1] COc1ccc(cc1OC)[C@@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1[*:1]
COCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 COCC[*:1] COc1ccc(cc1OC)[C@@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1C[*:1]
COCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 COC[*:1] COc1ccc(cc1OC)[C@@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1CC[*:1]
C[NH+]1CCN(c2ccc(NC(=O)c3n[nH]c([O-])n3)cn2)CC1 [O-]c1nc(n[nH]1)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)[*:1]
CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 CCOC(=O)N[*:1] O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](C1)[*:1]
CC[C@@H](C)n1c([C@@H]2CCC[NH2+]2)nc2cc(C(F)(F)F)ccc21 FC(F)(F)[*:1] CC[C@@H](C)n1c(nc2cc(ccc21)[*:1])[C@@H]1CCC[NH2+]1
CC[C@@H](C)n1c([C@@H]2CCC[NH2+]2)nc2cc(C(F)(F)F)ccc21 CC[C@@H](C)[*:1] FC(F)(F)c1ccc2c(c1)nc([C@@H]1CCC[NH2+]1)n2[*:1]
COc1ccc(C(=O)N2CCC3(CCC(=O)N3OCc3ccccc3)CC2)c(OC)n1 c1ccc(cc1)[*:1] COc1ccc(C(=O)N2CCC3(CCC(=O)N3OC[*:1])CC2)c(n1)OC
COc1ccc(C(=O)N2CCC3(CCC(=O)N3OCc3ccccc3)CC2)c(OC)n1 COc1ccc(c(n1)OC)[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])N1OCc1ccccc1
COc1ccc(C(=O)N2CCC3(CCC(=O)N3OCc3ccccc3)CC2)c(OC)n1 c1ccc(cc1)C[*:1] COc1ccc(C(=O)N2CCC3(CCC(=O)N3O[*:1])CC2)c(n1)OC
O=C(Nc1nnc(C2CCCCC2)s1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 c1cc2OCCOc2cc1[*:1] O=C(Nc1nnc(s1)C1CCCCC1)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1nnc(C2CCCCC2)s1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 C1CCC(CC1)[*:1] O=C(Nc1nnc(s1)[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
Cc1ccc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)s1 Cc1ccc(s1)[*:1] O=C(NC[*:1])N1CCN(CC1)c1ccccc1Cl
Cc1ccc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)s1 Clc1ccccc1[*:1] Cc1ccc(CNC(=O)N2CCN(CC2)[*:1])s1
Cc1ccc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)s1 Cc1ccc(C[*:1])s1 O=C(N[*:1])N1CCN(CC1)c1ccccc1Cl
COC(=O)c1n[nH]c(/N=C(\[O-])CCc2ccccc2)n1 c1ccc(cc1)[*:1] COC(=O)c1n[nH]c(/N=C(\[O-])CC[*:1])n1
COC(=O)c1n[nH]c(/N=C(\[O-])CCc2ccccc2)n1 COC(=O)[*:1] [O-]/C(CCc1ccccc1)=N\c1nc(n[nH]1)[*:1]
COc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)C)cn1 CC(C)[*:1] COc1ccc(cn1)C[NH2+][C@@H](c1ccccc1)[*:1]
COc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)C)cn1 c1ccc(cc1)[*:1] COc1ccc(cn1)C[NH2+][C@@H](C(C)C)[*:1]
COCc1ccccc1/C([O-])=N/S(=O)(=O)c1ccc2ccccc2c1 COC[*:1] O=S(=O)(/N=C(\[O-])c1ccccc1[*:1])c1ccc2ccccc2c1
Cc1ccc(OCC(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])NC(=S)Nc1ccc(cc1)C(=O)[O-]
Cc1ccc(OCC(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)OCC(=O)NC(=S)Nc1ccc(cc1)[*:1]
Cc1ccc(OCC(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])NC(=S)Nc1ccc(cc1)C(=O)[O-]
COc1ccc(Cc2nc(N)nc(C)c2C(=O)NN)cc1 NNC(=O)[*:1] COc1ccc(cc1)Cc1nc(N)nc(C)c1[*:1]
O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 O=C([O-])C[*:1] O=C(C[*:1])Nc1sc2CCCCc2c1C(=O)NCc1ccccc1
O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 O=C([O-])CC[*:1] O=C(NCc1ccccc1)c1c(NC(=O)[*:1])sc2CCCCc21
O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 O=C([O-])CCC(=O)N[*:1] O=C(NCc1ccccc1)c1c(sc2CCCCc21)[*:1]
O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 c1ccc(cc1)C[*:1] O=C([O-])CCC(=O)Nc1sc2CCCCc2c1C(=O)N[*:1]
O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 c1ccc(cc1)[*:1] O=C([O-])CCC(=O)Nc1sc2CCCCc2c1C(=O)NC[*:1]
O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 O=C([O-])[*:1] O=C(CC[*:1])Nc1sc2CCCCc2c1C(=O)NCc1ccccc1
Cc1c(C#N)c(NC(=O)C[NH+](C)Cc2nc3ccccc3s2)n(Cc2ccco2)c1C c1ccc2sc(C[*:1])nc2c1 Cc1c(C#N)c(NC(=O)C[NH+](C)[*:1])n(Cc2ccco2)c1C
Cc1c(C#N)c(NC(=O)C[NH+](C)Cc2nc3ccccc3s2)n(Cc2ccco2)c1C c1coc(c1)[*:1] Cc1c(C#N)c(NC(=O)C[NH+](C)Cc2nc3ccccc3s2)n(C[*:1])c1C
Cc1c(C#N)c(NC(=O)C[NH+](C)Cc2nc3ccccc3s2)n(Cc2ccco2)c1C c1coc(c1)C[*:1] Cc1c(C#N)c(NC(=O)C[NH+](C)Cc2nc3ccccc3s2)n(c1C)[*:1]
Cc1c(C#N)c(NC(=O)C[NH+](C)Cc2nc3ccccc3s2)n(Cc2ccco2)c1C c1ccc2sc(nc2c1)[*:1] Cc1c(C#N)c(NC(=O)C[NH+](C)C[*:1])n(Cc2ccco2)c1C
COc1cccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2CC[NH+](C)C)c1 c1csc(c1)[*:1] COc1cccc(c1)[C@H]1/C(C(=O)C(=O)N1CC[NH+](C)C)=C(\O)[*:1]
COc1cccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2CC[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1[*:1]
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccccc1F Fc1ccccc1[*:1] O=C(Cc1cccc2ccccc12)NNC(=O)[*:1]
NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl NC(=O)[*:1] O=C(CNC(=O)c1ccc(Cl)cc1Cl)OC[*:1]
NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl NC(=O)C[*:1] O=C(CNC(=O)c1ccc(Cl)cc1Cl)O[*:1]
COc1ccc2c(c1)C=C(C(=O)OCCc1scnc1C)CO2 Cc1ncsc1[*:1] COc1ccc2OCC(=Cc2c1)C(=O)OCC[*:1]
COc1ccc2c(c1)C=C(C(=O)OCCc1scnc1C)CO2 Cc1ncsc1C[*:1] COc1ccc2OCC(=Cc2c1)C(=O)OC[*:1]
O=C(CBr)c1c(F)cccc1Cl O=C(CBr)[*:1] Fc1cccc(Cl)c1[*:1]
CCCn1c(C)nn(C[NH+]2CCC(OCC)CC2)c1=S CCO[*:1] CCCn1c(C)nn(C[NH+]2CCC(CC2)[*:1])c1=S
CCCn1c(C)nn(C[NH+]2CCC(OCC)CC2)c1=S CCC[*:1] CCOC1CC[NH+](CC1)Cn1nc(C)n(c1=S)[*:1]
Cc1nnc(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)s1 Cc1nnc(s1)[*:1] C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CS[*:1]
Cc1nnc(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)s1 Cc1nnc(S[*:1])s1 C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[*:1]
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(c1F)[*:1]
N#C/C(=C\c1ccco1)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 O=C(N[*:1])C1CCCC1 N#C/C(=C\c1ccco1)C(=O)NCc1cccc(c1)[*:1]
N#C/C(=C\c1ccco1)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 c1coc(c1)[*:1] N#CC(=C[*:1])C(=O)NCc1cccc(c1)NC(=O)C1CCCC1
N#C/C(=C\c1ccco1)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 C1CCC(C1)[*:1] N#C/C(=C\c1ccco1)C(=O)NCc1cccc(c1)NC(=O)[*:1]
N#C/C(=C\c1ccco1)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 N#CC(=Cc1ccco1)[*:1] O=C(Nc1cccc(c1)CNC(=O)[*:1])C1CCCC1
O=C(Nc1cccc(CNc2nccs2)c1)C(F)(F)F c1csc(n1)N[*:1] O=C(Nc1cccc(c1)C[*:1])C(F)(F)F
O=C(Nc1cccc(CNc2nccs2)c1)C(F)(F)F c1csc(n1)[*:1] O=C(Nc1cccc(c1)CN[*:1])C(F)(F)F
O=C(Nc1cccc(CNc2nccs2)c1)C(F)(F)F FC(F)(F)[*:1] O=C(Nc1cccc(c1)CNc1nccs1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C=C[*:1]
O=C(NCCn1c(-c2ccncc2)nc2cccnc21)c1ccc(F)cc1 c1cc(ccn1)[*:1] O=C(NCCn1c(nc2cccnc21)[*:1])c1ccc(F)cc1
O=C(NCCn1c(-c2ccncc2)nc2cccnc21)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCn1c(nc2cccnc21)-c1ccncc1)[*:1]
CCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)[C@@H]1C(=O)CCCC1=N2 CCS[*:1] Cc1ccc(cc1)[C@H]1[C@@H]2C(=O)CCCC2=Nc2nc(nn21)[*:1]
CCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)[C@@H]1C(=O)CCCC1=N2 Cc1ccc(cc1)[*:1] CCSc1nc2N=C3CCCC(=O)[C@H]3[C@H](n2n1)[*:1]
COc1ccc(C(=O)N2CCN(Cc3c(F)cccc3F)CC2)c(OC)c1 Fc1cccc(F)c1[*:1] COc1ccc(C(=O)N2CCN(CC2)C[*:1])c(c1)OC
COc1ccc(C(=O)N2CCN(Cc3c(F)cccc3F)CC2)c(OC)c1 Fc1cccc(F)c1C[*:1] COc1ccc(C(=O)N2CCN(CC2)[*:1])c(c1)OC
COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C)cc2C)C(C)C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(NC(=O)C(=O)N[C@H](C(C)C)[*:1])c(C)c1
COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C)cc2C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](NC(=O)C(=O)Nc1ccc(C)cc1C)[*:1]
COc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C)cc2C)C(C)C)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)[C@H](NC(=O)C(=O)N[*:1])C(C)C
Cc1cc(NC(=O)CNc2ccc(Br)cc2)no1 Cc1cc(no1)[*:1] O=C(CNc1ccc(Br)cc1)N[*:1]
COC(=O)C[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)C1CC1 Cc1ccc(cc1C)[*:1] COC(=O)C[C@@H](NC(=O)[C@@H]1CCC(=O)N(C1)[*:1])C1CC1
COC(=O)C[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)C1CC1 COC(=O)C[C@@H](C1CC1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N[*:1]
COC(=O)C[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)C1CC1 COC(=O)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N[C@H](C[*:1])C1CC1
COC(=O)C[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)C1CC1 COC(=O)C[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N[C@@H](C1CC1)[*:1]
COC(=O)C[C@@H](NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)[C@@H]1CCC(=O)N(C1)c1ccc(C)c(C)c1)[*:1]
CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1 c1ccc(cc1)N[*:1] CC1CCN(CC1)c1nc(c2cnn(C)c2n1)[*:1]
CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)c1nc(N[*:1])c2cnn(C)c2n1
CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1 CC1CCN(CC1)[*:1] Cn1ncc2c(nc(nc21)[*:1])Nc1ccccc1
CC[C@H](O)Cn1c(SCC(C)C)nc2ccccc21 CC[C@H](O)C[*:1] CC(C)CSc1nc2ccccc2n1[*:1]
CC[C@H](O)Cn1c(SCC(C)C)nc2ccccc21 CC[C@H](O)[*:1] CC(C)CSc1nc2ccccc2n1C[*:1]
CC[C@H](O)Cn1c(SCC(C)C)nc2ccccc21 CC(C)C[*:1] CC[C@H](O)Cn1c(nc2ccccc21)S[*:1]
CC[C@H](O)Cn1c(SCC(C)C)nc2ccccc21 CC(C)CS[*:1] CC[C@H](O)Cn1c(nc2ccccc21)[*:1]
CC[C@H](O)Cn1c(SCC(C)C)nc2ccccc21 CC(C)[*:1] CC[C@H](O)Cn1c(nc2ccccc21)SC[*:1]
Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)Cc3nnnn3C(C)(C)C)cc2c1 Fc1ccc(cc1)C[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)CN(Cc1nnnn1C(C)(C)C)[*:1]
Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)Cc3nnnn3C(C)(C)C)cc2c1 Fc1ccc(cc1)[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)CN(Cc1nnnn1C(C)(C)C)C[*:1]
Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)Cc3nnnn3C(C)(C)C)cc2c1 CC(C)(C)[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)CN(Cc1ccc(F)cc1)Cc1nnnn1[*:1]
Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)Cc3nnnn3C(C)(C)C)cc2c1 CC(C)(C)n1nnnc1[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)CN(Cc1ccc(F)cc1)C[*:1]
Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)Cc3nnnn3C(C)(C)C)cc2c1 CC(C)(C)n1nnnc1C[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)CN(Cc1ccc(F)cc1)[*:1]
CCOC(=O)c1nn(CC)c2c1CN(C(=O)C1=CC3=CC=N[C@@H]3C=C1)CC2 CCOC(=O)[*:1] CCn1nc(c2CN(CCc21)C(=O)C1C=C[C@H]2N=CC=C2C=1)[*:1]
COc1cccc(NC(=O)c2nnn(-c3cccc(C)c3)c2N)c1 Cc1cccc(c1)[*:1] COc1cccc(c1)NC(=O)c1nnn(c1N)[*:1]
COc1cccc(NC(=O)c2nnn(-c3cccc(C)c3)c2N)c1 COc1cccc(c1)[*:1] Cc1cccc(c1)-n1nnc(C(=O)N[*:1])c1N
Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CCOCC1CC1 NS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N(C)CCOCC1CC1)[*:1]
Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CCOCC1CC1 C1CC1[*:1] Cc1ccc(cc1C(=O)N(C)CCOC[*:1])S(N)(=O)=O
Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CCOCC1CC1 C1CC1CO[*:1] Cc1ccc(cc1C(=O)N(C)CC[*:1])S(N)(=O)=O
Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CCOCC1CC1 C1CC1C[*:1] Cc1ccc(cc1C(=O)N(C)CCO[*:1])S(N)(=O)=O
Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CCOCC1CC1 C1CC1COC[*:1] Cc1ccc(cc1C(=O)N(C)C[*:1])S(N)(=O)=O
Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CCOCC1CC1 C(C[*:1])OCC1CC1 Cc1ccc(cc1C(=O)N(C)[*:1])S(N)(=O)=O
CCCCn1ncc(C(=O)N[C@@H](CO)c2ccccc2F)c1C CCCC[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H](CO)c1ccccc1F
CCCCn1ncc(C(=O)N[C@@H](CO)c2ccccc2F)c1C CCC[*:1] Cc1c(cnn1C[*:1])C(=O)N[C@@H](CO)c1ccccc1F
CCCCn1ncc(C(=O)N[C@@H](CO)c2ccccc2F)c1C Fc1ccccc1[*:1] CCCCn1ncc(C(=O)N[C@@H](CO)[*:1])c1C
Cc1ccccc1NC(=O)C1=CN(C)[C@H]2C(=O)N(c3ccccc3)C(=O)N=C12 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C1=CN(C)[C@H]2C(=O)N(C(=O)N=C12)[*:1]
Cc1ccccc1NC(=O)C1=CN(C)[C@H]2C(=O)N(c3ccccc3)C(=O)N=C12 Cc1ccccc1[*:1] CN1C=C(C(=O)N[*:1])C2=NC(=O)N(C(=O)[C@@H]21)c1ccccc1
Cc1ccc(Oc2ccccc2CNC(=O)N(C)C2CCS(=O)CC2)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)NCc1ccccc1O[*:1])C1CCS(=O)CC1
Cc1ccc(Oc2ccccc2CNC(=O)N(C)C2CCS(=O)CC2)cc1 Cc1ccc(cc1)O[*:1] CN(C(=O)NCc1ccccc1[*:1])C1CCS(=O)CC1
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCc1c[nH]c2ccccc12 NC(=O)[*:1] C[C@@H]1CC[C@H](CN1C(=O)CCc1c[nH]c2ccccc12)[*:1]
Cc1ccc(C(=O)OCCCc2ccncc2)s1 c1cc(ccn1)[*:1] Cc1ccc(s1)C(=O)OCCC[*:1]
Cc1ccc(C(=O)OCCCc2ccncc2)s1 Cc1ccc(s1)[*:1] O=C(OCCCc1ccncc1)[*:1]
Cc1c(C(=O)Nc2ccccc2CC(=O)NC2CCCC2)nc2ccc(Cl)cn12 O=C(C[*:1])NC1CCCC1 Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccccc1[*:1]
Cc1c(C(=O)Nc2ccccc2CC(=O)NC2CCCC2)nc2ccc(Cl)cn12 O=C(NC1CCCC1)[*:1] Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccccc1C[*:1]
Cc1c(C(=O)Nc2ccccc2CC(=O)NC2CCCC2)nc2ccc(Cl)cn12 C1CCC(C1)[*:1] Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccccc1CC(=O)N[*:1]
COc1ccc(Cl)cc1N[C@H](C)C(=O)NC(=O)NC(C)C CC(C)[*:1] COc1ccc(Cl)cc1N[C@H](C)C(=O)NC(=O)N[*:1]
COC(=O)c1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)ccc1Cl COC(=O)[*:1] O=C(CSc1nnc(o1)-c1ccc2ccccc2c1)Nc1ccc(Cl)c(c1)[*:1]
COC(=O)c1cc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)ccc1Cl c1ccc2cc(ccc2c1)[*:1] COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnc(o1)[*:1]
CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)C1(C)C FC(F)(F)[*:1] CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2ncc(cc2Cl)[*:1])C1(C)C
CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)C1(C)C CC(C)=C[*:1] CC1(C)[C@@H](C(=O)[C@@H](C#N)c2ncc(cc2Cl)C(F)(F)F)[C@H]1[*:1]
O=C(C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)NC1CCCCCC1 c1csc(c1)[*:1] O=C(C[C@@H](N1Cc2ccccc2C1=O)[*:1])NC1CCCCCC1
O=C(C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)N[*:1]
O=C(CSc1cccc2cccnc12)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CSc1cccc2cccnc12)N[*:1]
O=C(c1cccc2cccnc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccc2cccnc12)N1CCN(CC1)S(=O)(=O)[*:1]
CSc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1 Clc1cccc(c1)[*:1] CSc1ccc(cc1)[C@@H]1CC(=O)N2CN(CSC2=C1C#N)[*:1]
CSc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1 CSc1ccc(cc1)[*:1] N#CC1=C2SCN(CN2C(=O)C[C@H]1[*:1])c1cccc(Cl)c1
COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)Cc1ccsc1)CCC2 c1cc(cs1)C[*:1] COc1ccc2CCC[C@@H]([NH2+][C@@H](C)[*:1])c2c1
COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)Cc1ccsc1)CCC2 c1cc(cs1)[*:1] COc1ccc2CCC[C@@H]([NH2+][C@@H](C)C[*:1])c2c1
C[C@@H](/C([O-])=N/S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccccc1F Fc1ccccc1[*:1] C[C@@H](/C([O-])=N/S(=O)(=O)c1ccc(nc1)[N+](=O)[O-])[*:1]
C[C@@H](/C([O-])=N/S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccccc1F O=[N+]([O-])[*:1] C[C@@H](/C([O-])=N/S(=O)(=O)c1ccc(nc1)[*:1])c1ccccc1F
C1C[C@@H]2CO[C@@H](C[NH2+][C@@H]3CCOC3)CN2C1 C1C[C@H](CO1)[*:1] C1C[C@@H]2CO[C@@H](C[NH2+][*:1])CN2C1
COc1ccc([C@@H]2CN(S(=O)(=O)N(C)C)C[C@H]2NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@@H]1[*:1])S(=O)(=O)N(C)C
O=C(N[C@@H]1C(=O)Nc2nc(N3CCCC3)[nH]c(=O)c2[C@@H]1c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1Nc2nc([nH]c(=O)c2[C@H](c2ccccc2)[C@@H]1NC(=O)[*:1])N1CCCC1
O=C(N[C@@H]1C(=O)Nc2nc(N3CCCC3)[nH]c(=O)c2[C@@H]1c1ccccc1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C1Nc2nc([nH]c(=O)c2[C@H](c2ccccc2)[C@@H]1[*:1])N1CCCC1
O=C(N[C@@H]1C(=O)Nc2nc(N3CCCC3)[nH]c(=O)c2[C@@H]1c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1C(=O)Nc2nc([nH]c(=O)c2[C@H]1[*:1])N1CCCC1)c1ccccc1
O=C(N[C@@H]1C(=O)Nc2nc(N3CCCC3)[nH]c(=O)c2[C@@H]1c1ccccc1)c1ccccc1 C1CCN(C1)[*:1] O=C(N[C@@H]1C(=O)Nc2nc([nH]c(=O)c2[C@@H]1c1ccccc1)[*:1])c1ccccc1
COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)s1 COC[*:1] C[C@H](NC(=O)/C(C#N)=C/c1ccc(s1)-c1ccccc1F)[*:1]
COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)s1 Fc1ccccc1[*:1] COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(s1)[*:1]
COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)s1 COC[C@H](C)[*:1] N#C/C(=C\c1ccc(s1)-c1ccccc1F)C(=O)N[*:1]
COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)s1 COC[C@H](C)NC(=O)[*:1] N#CC(=Cc1ccc(s1)-c1ccccc1F)[*:1]
CCC(CC)c1cc[n+](Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 CCC(CC)[*:1] Cc1cc2oc(=O)cc(C[n+]3ccc(cc3)[*:1])c2cc1Cl
Cc1ccnc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCCCC4)ccc32)c1 O=S(=O)(N1CCCCCC1)[*:1] Cc1ccnc(c1)NC(=O)Cn1c(=O)oc2cc(ccc21)[*:1]
Cc1ccnc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCCCC4)ccc32)c1 Cc1ccnc(c1)NC(=O)[*:1] O=c1oc2cc(ccc2n1C[*:1])S(=O)(=O)N1CCCCCC1
Cc1ccnc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCCCC4)ccc32)c1 Cc1ccnc(c1)[*:1] O=C(Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCCCCC1)N[*:1]
CSc1ccccc1NC(=O)C[NH+](C)CC(=O)NC(C)(C)C CC(C)(C)[*:1] CSc1ccccc1NC(=O)C[NH+](C)CC(=O)N[*:1]
CSc1ccccc1NC(=O)C[NH+](C)CC(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] CSc1ccccc1NC(=O)C[NH+](C)C[*:1]
NC(=O)c1ccccc1OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 NC(=O)[*:1] O=C(COc1ccccc1[*:1])N1CCC[C@H](C1)C(F)(F)F
NC(=O)c1ccccc1OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] NC(=O)c1ccccc1OCC(=O)N1CCC[C@@H](C1)[*:1]
CCCc1cc(NC(=O)N[C@@H](C)C[C@@H](O)c2cccs2)n(C)n1 CCC[*:1] C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)N[C@@H](C)C[C@@H](O)c2cccs2)n(C)n1 O[C@@H](c1cccs1)[*:1] CCCc1cc(NC(=O)N[C@@H](C)C[*:1])n(C)n1
CCCc1cc(NC(=O)N[C@@H](C)C[C@@H](O)c2cccs2)n(C)n1 c1csc(c1)[*:1] CCCc1cc(NC(=O)N[C@@H](C)C[C@@H](O)[*:1])n(C)n1
CC(C)/N=C1\S/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1C(C)C CC(C)[*:1] CC(C)/N=C1\S/C(=C/c2ccc(o2)[N+](=O)[O-])C(=O)N1[*:1]
CC(C)/N=C1\S/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1C(C)C O=[N+]([O-])[*:1] CC(C)/N=C1\S/C(=C/c2ccc(o2)[*:1])C(=O)N1C(C)C
CC(C)/N=C1\S/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N1C(C)C CC(C)[*:1] CC(C)N1C(=O)/C(=C\c2ccc(o2)[N+](=O)[O-])SC1=N[*:1]
Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c12 Cc1c(cnn1C)[*:1] Cc1noc2nc(cc(C(=O)N[C@@H](C)[*:1])c12)-c1cccs1
Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c12 c1csc(c1)[*:1] Cc1noc2nc(cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c12)[*:1]
Cc1cccc(NC(=O)N2CC(=O)N3CCc4cc(F)ccc4[C@@H]3C2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])N1CC(=O)N2CCc3cc(F)ccc3[C@@H]2C1
Clc1cccc2nc(NCc3ccccc3)sc12 c1ccc(cc1)[*:1] Clc1cccc2nc(NC[*:1])sc12
O=C(/C=C/c1ccc(C(F)(F)F)cc1)OCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)C(F)(F)F)OCc1cccc(c1)[*:1]
O=C(/C=C/c1ccc(C(F)(F)F)cc1)OCc1cccc([N+](=O)[O-])c1 FC(F)(F)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])OCc1cccc(c1)[N+](=O)[O-]
CC[NH2+][C@H](Cc1nccn1CC)[C@H](C)OC CO[C@@H](C)[*:1] CC[NH2+][C@H](Cc1nccn1CC)[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccncc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](N2C(=O)CN1Cc1ccncc1)[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccncc1 O=[N+]([O-])[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3cccc(c3)[*:1])N2C(=O)CN1Cc1ccncc1
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccncc1 c1cc(ccn1)C[*:1] O=C1CN(C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3cccc(c3)[N+](=O)[O-])N12)[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccncc1 c1cc(ccn1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3cccc(c3)[N+](=O)[O-])N2C(=O)CN1C[*:1]
Cc1c([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)cnn1-c1cccc(C(F)(F)F)c1 c1ccc2c(c[nH]c2c1)[*:1] Cc1c(cnn1-c1cccc(c1)C(F)(F)F)[C@@H](C)NC(=O)C[*:1]
Cc1c([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)cnn1-c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC(=O)Cc1c[nH]c2ccccc12
Cc1c([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)cnn1-c1cccc(C(F)(F)F)c1 c1ccc2c(c[nH]c2c1)C[*:1] Cc1c(cnn1-c1cccc(c1)C(F)(F)F)[C@@H](C)NC(=O)[*:1]
Cc1c([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)cnn1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1c(cnn1-c1cccc(c1)[*:1])[C@@H](C)NC(=O)Cc1c[nH]c2ccccc12
C[C@H]1C[C@H]1C(=O)NC[C@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2C)C1 C[C@H]1C[C@H]1C(=O)N[*:1] C[C@H]1C[C@H]1C(=O)NC[C@@H]1CCC[C@@H](C1)C[*:1]
C[C@H]1C[C@H]1C(=O)NC[C@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2C)C1 C[C@H]1C[C@@H]1[*:1] C[C@H]1C[C@H]1C(=O)NC[C@@H]1CCC[C@H](CNC(=O)[*:1])C1
C[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2cc[nH]n2)CC1 C[C@@H]1C[C@H]1[*:1] O=C(N1CCN(CC1)Cc1cc[nH]n1)[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2cc[nH]n2)CC1 c1cc(n[nH]1)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2cc[nH]n2)CC1 c1cc(C[*:1])n[nH]1 C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)[*:1]
C[C@@H](NC(=O)Nc1ccc(N2CCCC2)[nH+]c1)c1nc2ccccc2[nH]1 C1CCN(C1)[*:1] C[C@@H](NC(=O)Nc1ccc([nH+]c1)[*:1])c1nc2ccccc2[nH]1
C[C@H](Sc1nc2ccccc2c(=O)n1Cc1cccnc1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1Cc1cccnc1)[*:1]
C[C@H](Sc1nc2ccccc2c(=O)n1Cc1cccnc1)C(=O)N(C)C c1cncc(c1)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1C[*:1])C(=O)N(C)C
C[C@H](Sc1nc2ccccc2c(=O)n1Cc1cccnc1)C(=O)N(C)C c1cncc(c1)C[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)N(C)C
COCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccncc1C COCC[*:1] Cc1cnccc1[N-]S(=O)(=O)c1cc(Cl)ccc1O[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccncc1C Cc1cnccc1[*:1] COCCOc1ccc(Cl)cc1S(=O)(=O)[N-][*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccncc1C COCCO[*:1] Cc1cnccc1[N-]S(=O)(=O)c1cc(Cl)ccc1[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccncc1C COC[*:1] Cc1cnccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[*:1]
O=S(=O)(Cc1ccon1)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 c1cc(no1)[*:1] O=S(=O)(C[*:1])N1CCN(CC1)c1[nH]c2ccccc2[nH+]1
O=S(=O)(Cc1ccon1)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 c1cc(C[*:1])no1 O=S(=O)(N1CCN(CC1)c1[nH]c2ccccc2[nH+]1)[*:1]
CC1(C)CC(Cc2nc(C(C)(C)C)cs2)=C[C@H](O)C1 CC(C)(C)[*:1] CC1(C)CC(=C[C@H](O)C1)Cc1nc(cs1)[*:1]
CCc1nc(C(=O)N(CCC#N)Cc2cccnc2)n[nH]1 c1cncc(c1)[*:1] CCc1nc(n[nH]1)C(=O)N(CCC#N)C[*:1]
CCc1nc(C(=O)N(CCC#N)Cc2cccnc2)n[nH]1 c1cncc(c1)C[*:1] CCc1nc(n[nH]1)C(=O)N(CCC#N)[*:1]
CCc1nc(C(=O)N(CCC#N)Cc2cccnc2)n[nH]1 CCc1nc(n[nH]1)[*:1] N#CCCN(Cc1cccnc1)C(=O)[*:1]
CCc1nc(C(=O)N(CCC#N)Cc2cccnc2)n[nH]1 N#CCC[*:1] CCc1nc(n[nH]1)C(=O)N(Cc1cccnc1)[*:1]
CCc1nc(C(=O)N(CCC#N)Cc2cccnc2)n[nH]1 N#CC[*:1] CCc1nc(n[nH]1)C(=O)N(Cc1cccnc1)C[*:1]
Cc1cccc(CN(C)c2ccc(C(=O)[O-])cc2C)n1 O=C([O-])[*:1] Cc1cccc(CN(C)c2ccc(cc2C)[*:1])n1
CC(C)(C)c1nc(CCNC(=O)c2c(O)cccc2O)cs1 CC(C)(C)[*:1] O=C(NCCc1csc(n1)[*:1])c1c(O)cccc1O
COc1ccc(/C=N/NC(=O)CC#N)cc1Br N#CC[*:1] COc1ccc(/C=N/NC(=O)[*:1])cc1Br
Cc1ccc(OCC(=O)n2nc(C)c(CC(C)C)c2C)c(C)c1 CC(C)[*:1] Cc1ccc(OCC(=O)n2nc(C)c(C[*:1])c2C)c(C)c1
Cc1ccc(OCC(=O)n2nc(C)c(CC(C)C)c2C)c(C)c1 CC(C)C[*:1] Cc1ccc(OCC(=O)n2nc(C)c(c2C)[*:1])c(C)c1
Fc1ccc(/C=C/C[NH2+]C[C@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] Fc1ccc(/C=C/C[NH2+]C[C@H]2CCCN(C2)[*:1])cc1
Fc1ccc(/C=C/C[NH2+]C[C@H]2CCCN(c3ncccn3)C2)cc1 Fc1ccc(cc1)[*:1] C(=C[*:1])C[NH2+]C[C@H]1CCCN(C1)c1ncccn1
N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCC[C@@H]1O O=[N+]([O-])[*:1] N#Cc1cc(ccc1N[C@@H]1CCCC[C@@H]1O)[*:1]
Cc1cccc(CN(Cc2cccc(C)n2)Cc2ccc3ccccc3n2)n1 Cc1cccc(n1)[*:1] Cc1cccc(CN(Cc2ccc3ccccc3n2)C[*:1])n1
Cc1cccc(CN(Cc2cccc(C)n2)Cc2ccc3ccccc3n2)n1 Cc1cccc(C[*:1])n1 Cc1cccc(CN(Cc2ccc3ccccc3n2)[*:1])n1
Cc1cc([C@H]2NC(=O)[C@H]3CCCCN23)ccc1-n1cncn1 c1ncn(n1)[*:1] Cc1cc(ccc1[*:1])[C@H]1NC(=O)[C@H]2CCCCN12
C=CCNS(=O)(=O)/C=C\c1ccccc1 C=CC[*:1] O=S(=O)(/C=C\c1ccccc1)N[*:1]
CSCC[C@@H](C)N(C)C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C CSCC[C@@H](C)[*:1] CN(C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)[*:1]
CSCC[C@@H](C)N(C)C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C CC(C)(C)[*:1] CSCC[C@@H](C)N(C)C(=O)NC[C@H]1CCO[C@H]1[*:1]
CSCC[C@@H](C)N(C)C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C CSC[*:1] C[C@H](C[*:1])N(C)C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C
CSCC[C@@H](C)N(C)C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C CSCC[*:1] C[C@@H](N(C)C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)[*:1]
CSc1nc2ccccc2n1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CSc1nc2ccccc2n1C[C@H](O)[*:1]
COc1nc(Cl)nc(N[C@H]2CCCCC[C@@H]2C(=O)[O-])n1 O=C([O-])[*:1] COc1nc(Cl)nc(n1)N[C@H]1CCCCC[C@H]1[*:1]
CCCC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 CCC[*:1] Cc1cc2c(CC(C)(C)C[C@H]2NC(=O)[*:1])o1
CCCC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 CCCC(=O)N[*:1] Cc1cc2c(CC(C)(C)C[C@H]2[*:1])o1
CC1(CNc2ccc([N+](=O)[O-])c(N)n2)CCCC1 O=[N+]([O-])[*:1] CC1(CCCC1)CNc1ccc(c(N)n1)[*:1]
CC1(CNc2ccc([N+](=O)[O-])c(N)n2)CCCC1 CC1(CCCC1)[*:1] Nc1nc(ccc1[N+](=O)[O-])NC[*:1]
CC(C)Oc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)O[*:1])c1c(F)cccc1Cl
CC(C)Oc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 CC(C)O[*:1] O=C(NCc1ccc(cc1)[*:1])c1c(F)cccc1Cl
Cc1c(C(=O)NC[C@H](C)Oc2ccccc2F)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@H](C)Oc1ccccc1F
Cc1c(C(=O)NC[C@H](C)Oc2ccccc2F)cnn1-c1ccccc1 Fc1ccccc1[*:1] Cc1c(cnn1-c1ccccc1)C(=O)NC[C@H](C)O[*:1]
Cc1c(C(=O)NC[C@H](C)Oc2ccccc2F)cnn1-c1ccccc1 Fc1ccccc1O[*:1] Cc1c(cnn1-c1ccccc1)C(=O)NC[C@H](C)[*:1]
CC(=O)[C@H](C)n1c(-c2cccs2)nc2ccccc21 c1csc(c1)[*:1] CC(=O)[C@H](C)n1c(nc2ccccc21)[*:1]
CC(=O)[C@H](C)n1c(-c2cccs2)nc2ccccc21 CC(=O)[*:1] C[C@H](n1c(nc2ccccc21)-c1cccs1)[*:1]
CC(=O)[C@H](C)n1c(-c2cccs2)nc2ccccc21 CC(=O)[C@H](C)[*:1] c1csc(c1)-c1nc2ccccc2n1[*:1]
CCCOc1nc(OCCC(C)C)ccc1N CC(C)[*:1] CCCOc1nc(ccc1N)OCC[*:1]
CCCOc1nc(OCCC(C)C)ccc1N CC(C)C[*:1] CCCOc1nc(ccc1N)OC[*:1]
CCCOc1nc(OCCC(C)C)ccc1N CC(C)CC[*:1] CCCOc1nc(ccc1N)O[*:1]
CCCOc1nc(OCCC(C)C)ccc1N CCC[*:1] CC(C)CCOc1ccc(N)c(n1)O[*:1]
CCCOc1nc(OCCC(C)C)ccc1N CCCO[*:1] CC(C)CCOc1ccc(N)c(n1)[*:1]
CC(C)(C[NH2+][C@H]1CCSc2ccccc21)N1CCS(=O)CC1 O=S1CCN(CC1)[*:1] CC(C)(C[NH2+][C@H]1CCSc2ccccc21)[*:1]
CC(C)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 C1CCC(CC1)[*:1] CC(C)[NH+]1CCN(CC1)C(=O)C[*:1]
CC(C)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 CC(C)[*:1] O=C(CC1CCCCC1)N1CC[NH+](CC1)[*:1]
FC(F)(F)c1cc(Cl)cc(C(F)(F)F)n1 FC(F)(F)[*:1] FC(F)(F)c1cc(Cl)cc(n1)[*:1]
Cc1nc(C(=O)N2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cs1 CN(C)C(=O)[*:1] Cc1nc(cs1)C(=O)N1CCc2c(C1)c(nn2Cc1ccccc1)[*:1]
Cc1nc(C(=O)N2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cs1 Cc1nc(cs1)[*:1] CN(C)C(=O)c1nn(Cc2ccccc2)c2CCN(Cc12)C(=O)[*:1]
Cc1nc(C(=O)N2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cs1 c1ccc(cc1)C[*:1] Cc1nc(cs1)C(=O)N1CCc2c(C1)c(nn2[*:1])C(=O)N(C)C
Cc1nc(C(=O)N2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)C(=O)N1CCc2c(C1)c(nn2C[*:1])C(=O)N(C)C
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2cccc3ccccc23)c2c(C)cc(C)cc21 CC(=O)[*:1] Cc1cc(C)c2c(c1)[C@@](O)(C[*:1])C(=O)N2CCCOc1cccc2ccccc12
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2cccc3ccccc23)c2c(C)cc(C)cc21 CC(=O)C[*:1] Cc1cc(C)c2c(c1)[C@@](O)(C(=O)N2CCCOc1cccc2ccccc12)[*:1]
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2cccc3ccccc23)c2c(C)cc(C)cc21 c1ccc2c(cccc2c1)[*:1] CC(=O)C[C@@]1(O)C(=O)N(CCCO[*:1])c2c(C)cc(C)cc21
CCNC(=O)N1CCN(C(=O)/C=C(/C)Cc2ccccc2OC)CC1 COc1ccccc1[*:1] CCNC(=O)N1CCN(CC1)C(=O)/C=C(/C)C[*:1]
Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=O)Nc3ccccc3F)cc2c1 Fc1ccccc1[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)CN(CCCO)C(=O)N[*:1]
Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=O)Nc3ccccc3F)cc2c1 OCC[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)CN(C[*:1])C(=O)Nc1ccccc1F
Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)C(=O)Nc3ccccc3F)cc2c1 OCCC[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)CN(C(=O)Nc1ccccc1F)[*:1]
COC(=O)[C@H]1C(c2ccc(Cl)cc2)[C@H](C(=O)OC)S(=O)(=O)CS1(=O)=O Clc1ccc(cc1)[*:1] COC(=O)[C@H]1C([C@H](C(=O)OC)S(=O)(=O)CS1(=O)=O)[*:1]
COC(=O)[C@H]1C(c2ccc(Cl)cc2)[C@H](C(=O)OC)S(=O)(=O)CS1(=O)=O COC(=O)[*:1] COC(=O)[C@H]1C(c2ccc(Cl)cc2)[C@@H](S(=O)(=O)CS1(=O)=O)[*:1]
O=C([O-])[C@@H]1CCCCN1c1ccccc1[N+](=O)[O-] O=C([O-])[*:1] O=[N+]([O-])c1ccccc1N1CCCC[C@H]1[*:1]
O=C([O-])[C@@H]1CCCCN1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C([O-])[C@@H]1CCCCN1c1ccccc1[*:1]
CC1(C)CCN(c2ccc(S(N)(=O)=O)c(N)c2)CC1 NS(=O)(=O)[*:1] CC1(C)CCN(CC1)c1ccc(c(N)c1)[*:1]
COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](CO)CC(C)(C)C)CO2 CC(C)(C)C[*:1] COc1ccc2OC[C@@H](Cc2c1)C(=O)N[C@@H](CO)[*:1]
COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](CO)CC(C)(C)C)CO2 CC(C)(C)[*:1] COc1ccc2OC[C@@H](Cc2c1)C(=O)N[C@@H](CO)C[*:1]
CC(C)NC(=O)C[C@@H](C[NH3+])N(C)Cc1ccc(Cl)cc1 CC(C)[*:1] CN(Cc1ccc(Cl)cc1)[C@H](C[NH3+])CC(=O)N[*:1]
CC(C)NC(=O)C[C@@H](C[NH3+])N(C)Cc1ccc(Cl)cc1 CC(C)NC(=O)[*:1] CN(Cc1ccc(Cl)cc1)[C@H](C[NH3+])C[*:1]
C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)C1(C#N)CCCC1)[*:1]
Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3ccco3)ccc21 c1coc(c1)[*:1] Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2cc(ccc21)NC(=O)[*:1]
Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3ccco3)ccc21 O=C(N[*:1])c1ccco1 Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2cc(ccc21)[*:1]
Cc1cccc(C[NH+](Cc2ccccn2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)C[NH+](Cc1ccccn1)[*:1]
Cc1cccc(C[NH+](Cc2ccccn2)C2CC2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)C[NH+](C[*:1])C1CC1
CC(C)CC(=O)NNC(=S)Nc1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)CC(=O)NNC(=S)Nc1ccc(cc1)[*:1]
CC(C)CC(=O)NNC(=S)Nc1ccc(C(C)C)cc1 CC(C)C[*:1] CC(C)c1ccc(cc1)NC(=S)NNC(=O)[*:1]
CC(C)CC(=O)NNC(=S)Nc1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)c1ccc(cc1)NC(=S)NNC(=O)C[*:1]
CC1CCN(c2n[nH]c(=S)n2Cc2ccco2)CC1 c1coc(c1)[*:1] CC1CCN(CC1)c1n[nH]c(=S)n1C[*:1]
CC1CCN(c2n[nH]c(=S)n2Cc2ccco2)CC1 c1coc(c1)C[*:1] CC1CCN(CC1)c1n[nH]c(=S)n1[*:1]
Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)CCO2 FC(F)C[*:1] Fc1ccc2OCC[C@H]([NH2+]Cc3cccc(c3)O[*:1])c2c1
Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)CCO2 FC(F)[*:1] Fc1ccc2OCC[C@H]([NH2+]Cc3cccc(c3)OC[*:1])c2c1
Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)CCO2 FC(F)CO[*:1] Fc1ccc2OCC[C@H]([NH2+]Cc3cccc(c3)[*:1])c2c1
CCOc1ccc([C@H](O)[C@H](C)c2ccccn2)cc1 CCO[*:1] C[C@H](c1ccccn1)[C@@H](O)c1ccc(cc1)[*:1]
CCOc1ccc([C@H](O)[C@H](C)c2ccccn2)cc1 c1ccc(nc1)[*:1] CCOc1ccc(cc1)[C@H](O)[C@H](C)[*:1]
CCc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 CCc1ccccc1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1ccco1
CCc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CCc1ccccc1NC(=O)[C@H](C)N1CCN(CC1)C(=O)[*:1]
CCO[C@@H](C)/C(N)=N/OCc1nn(-c2ccccc2)c2c1CCC2 c1ccc(cc1)[*:1] CCO[C@@H](C)/C(N)=N/OCc1nn(c2CCCc12)[*:1]
CCO[C@@H](C)/C(N)=N/OCc1nn(-c2ccccc2)c2c1CCC2 CCO[*:1] C[C@@H](/C(N)=N/OCc1nn(-c2ccccc2)c2CCCc12)[*:1]
Cc1cc([C@@H](Nc2ccc(F)cc2)C(N)=O)ccc1Br NC(=O)[*:1] Cc1cc(ccc1Br)[C@@H](Nc1ccc(F)cc1)[*:1]
CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C)c1C CC[C@@H](C)[*:1] Cc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O[*:1])c1C
CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C)c1C CC[C@@H](C)OC(=O)[*:1] Cc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2[*:1])c1C
CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C)c1C Cc1cccc(c1C)[*:1] CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[*:1]
COc1ccccc1COc1cccc(NC(=O)C2=C(C)OCCC2)c1C COc1ccccc1[*:1] CC1OCCCC=1C(=O)Nc1cccc(OC[*:1])c1C
COc1ccccc1COc1cccc(NC(=O)C2=C(C)OCCC2)c1C COc1ccccc1C[*:1] CC1OCCCC=1C(=O)Nc1cccc(O[*:1])c1C
O=C(c1ccncc1)N1CCc2sccc2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccncc1)N1CCc2sccc2[C@H]1[*:1]
O=C(c1ccncc1)N1CCc2sccc2[C@@H]1c1ccccc1 c1cc(ccn1)[*:1] O=C(N1CCc2sccc2[C@@H]1c1ccccc1)[*:1]
O=C(CSC1CCCC1)c1ccc(Cl)cc1F C1CCC(C1)[*:1] O=C(CS[*:1])c1ccc(Cl)cc1F
O=C(NCCc1coc(-c2ccccc2)n1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 c1ccc(cc1)[*:1] O=C(NCCc1coc(n1)[*:1])C1(CCCC1)S(=O)(=O)c1ccc(Cl)cc1
O=C(NCCc1coc(-c2ccccc2)n1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)[*:1] O=C(NCCc1coc(n1)-c1ccccc1)C1(CCCC1)S(=O)(=O)[*:1]
O=C(NCCc1coc(-c2ccccc2)n1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 O=S(=O)(c1ccc(Cl)cc1)[*:1] O=C(NCCc1coc(n1)-c1ccccc1)C1(CCCC1)[*:1]
COc1cc2c([O-])nc(-c3cccc(OCC(F)F)n3)nc2cc1F FC(F)C[*:1] COc1cc2c([O-])nc(nc2cc1F)-c1cccc(n1)O[*:1]
COc1cc2c([O-])nc(-c3cccc(OCC(F)F)n3)nc2cc1F FC(F)[*:1] COc1cc2c([O-])nc(nc2cc1F)-c1cccc(n1)OC[*:1]
COc1cc2c([O-])nc(-c3cccc(OCC(F)F)n3)nc2cc1F FC(F)CO[*:1] COc1cc2c([O-])nc(nc2cc1F)-c1cccc(n1)[*:1]
CC[C@H]1SC[C@H](C(=O)[O-])N1C(=O)C[C@@H]1CSCC[NH2+]1 O=C([O-])[*:1] CC[C@H]1SC[C@H](N1C(=O)C[C@@H]1CSCC[NH2+]1)[*:1]
COc1ccc(OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 COc1ccc(cc1)O[*:1] COc1cc2c(cc1NC(=O)C[*:1])oc1ccccc12
COc1ccc(OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 COc1ccc(cc1)[*:1] COc1cc2c(cc1NC(=O)CO[*:1])oc1ccccc12
CC(C)(C(=O)[O-])C1CCCCC1 O=C([O-])[*:1] CC(C)(C1CCCCC1)[*:1]
CSc1ccc(CNC(=O)c2cc(S(N)(=O)=O)c(C)o2)cc1 NS(=O)(=O)[*:1] CSc1ccc(cc1)CNC(=O)c1cc(c(C)o1)[*:1]
COc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C(C)C)C2=O)cc1 CC(C)[*:1] COc1ccc(cc1)OC[C@@H](O)CN1C(=O)N[C@](C)(C1=O)[*:1]
COc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(C(C)C)C2=O)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@]1(C)NC(=O)N(C[C@H](O)CO[*:1])C1=O
C#Cc1cc(F)c(NC(=O)c2csc(-c3ncccn3)n2)c(F)c1 c1cnc(nc1)[*:1] C#Cc1cc(F)c(NC(=O)c2csc(n2)[*:1])c(F)c1
Cc1cc(C)cc([S@@](=O)Cc2ccc(C(=O)[O-])o2)c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)[S@@](=O)Cc1ccc(o1)[*:1]
CC(C)C[C@@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)c1cccs1 c1csc(c1)[*:1] CC(C)C[C@@H](NC(=O)N[C@H](C)c1nc(no1)C(C)(C)C)[*:1]
CC(C)C[C@@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)c1cccs1 CC(C)C[*:1] C[C@@H](NC(=O)N[C@@H](c1cccs1)[*:1])c1nc(no1)C(C)(C)C
CC(C)C[C@@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)c1cccs1 CC(C)[*:1] C[C@@H](NC(=O)N[C@H](C[*:1])c1cccs1)c1nc(no1)C(C)(C)C
CC(C)C[C@@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)c1cccs1 CC(C)(C)[*:1] CC(C)C[C@@H](NC(=O)N[C@H](C)c1nc(no1)[*:1])c1cccs1
CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(CC1)[*:1]
CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(C(N)=O)CC1 CCC[*:1] NC(=O)C1CCN(CC1)C(=O)C[C@H]1CSc2nc(cc(=O)n21)[*:1]
Cc1ccccc1CS[C@@H]1CC[C@@]([NH3+])(C(N)=O)C1 NC(=O)[*:1] Cc1ccccc1CS[C@@H]1CC[C@@]([NH3+])(C1)[*:1]
CC(=O)Nc1ccc(NC(=S)N[C@@H]2CCS(=O)(=O)C2)cc1 CC(=O)N[*:1] O=S1(=O)CC[C@H](C1)NC(=S)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 CC(C)(C)[*:1] COC(=O)c1ccc(cc1)O[C@H]1C[C@@H](C(=O)[O-])N(C1)C(=O)O[*:1]
COC(=O)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 O=C([O-])[*:1] COC(=O)c1ccc(cc1)O[C@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)[*:1]
COC(=O)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 COC(=O)[*:1] CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)[O-])Oc1ccc(cc1)[*:1]
C[C@H]1C[C@H]1/C([O-])=C(\C#N)C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1/C([O-])=C(\C#N)C(=O)NCC[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O CCC[*:1] O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H]1CSCN1C(=O)C[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O CCCC[*:1] O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H]1CSCN1C(=O)[*:1]
COc1cc(C=O)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] COc1cc(C=O)ccc1OS(=O)(=O)c1cc(ccc1C)[*:1]
O=C(CNc1ccccc1)N[C@@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(CNc1ccccc1)N[C@@H]1C=C[C@H](C1)[*:1]
O=C(CNc1ccccc1)N[C@@H]1C=C[C@H](C(=O)[O-])C1 c1ccc(cc1)[*:1] O=C(CN[*:1])N[C@@H]1C=C[C@@H](C1)C(=O)[O-]
COc1ccc(-c2nn(-c3ccccc3)cc2C2=NN(S(C)(=O)=O)[C@@H](c3cccs3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1C1C[C@H](c2cccs2)N(N=1)S(C)(=O)=O)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2C2=NN(S(C)(=O)=O)[C@@H](c3cccs3)C2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)-c1nn(cc1C1C[C@H](N(N=1)S(C)(=O)=O)[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2C2=NN(S(C)(=O)=O)[C@@H](c3cccs3)C2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)N1N=C(C[C@@H]1c1cccs1)c1cn(nc1[*:1])-c1ccccc1
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)C2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(cc1)CN1CCCN(CC1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)C2)cc1 N#Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)N1CCCN(CC1)[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)C2)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)N1CCCN(CC1)C[*:1]
Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)/C(=C/c1cc(Br)cc3c1OCOC3)O2 CC(C)OC(=O)C[*:1] Cc1cc(cc2O/C(=C\c3cc(Br)cc4COCOc34)C(=O)c12)O[*:1]
Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)/C(=C/c1cc(Br)cc3c1OCOC3)O2 CC(C)[*:1] Cc1cc(cc2O/C(=C\c3cc(Br)cc4COCOc34)C(=O)c12)OCC(=O)O[*:1]
Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)/C(=C/c1cc(Br)cc3c1OCOC3)O2 CC(C)OC(=O)[*:1] Cc1cc(cc2O/C(=C\c3cc(Br)cc4COCOc34)C(=O)c12)OC[*:1]
Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)/C(=C/c1cc(Br)cc3c1OCOC3)O2 CC(C)OC(=O)CO[*:1] Cc1cc(cc2O/C(=C\c3cc(Br)cc4COCOc34)C(=O)c12)[*:1]
COc1ccc(-c2c(C)nn3c2nnc2c(=O)n(-c4cccc(Cl)c4)ccc23)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)-c1c(C)nn2c1nnc1c(=O)n(ccc12)[*:1]
COc1ccc(-c2c(C)nn3c2nnc2c(=O)n(-c4cccc(Cl)c4)ccc23)cc1 COc1ccc(cc1)[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)-c2cccc(Cl)c2)c1[*:1]
CC(C)Oc1nnc(SCc2nc3ccccc3c(=O)[nH]2)s1 CC(C)[*:1] O=c1[nH]c(CSc2nnc(O[*:1])s2)nc2ccccc12
CC(C)Oc1nnc(SCc2nc3ccccc3c(=O)[nH]2)s1 CC(C)O[*:1] O=c1[nH]c(CSc2nnc(s2)[*:1])nc2ccccc12
COC(=O)[C@@H](NC(=O)c1cccnc1Cl)c1ccc(Cl)c(F)c1 Clc1ncccc1[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@@H](NC(=O)c1cccnc1Cl)c1ccc(Cl)c(F)c1 COC(=O)[*:1] O=C(N[C@@H](c1ccc(Cl)c(F)c1)[*:1])c1cccnc1Cl
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])Nc1ccnc(n1)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccnc(-c2ccccc2)n1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccnc(n1)-c1ccccc1
Cc1nc(-c2ccc(CC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)cs1 c1nnnn1[*:1] Cc1nc(cs1)-c1ccc(cc1)CC(=O)NNC(=O)c1ccc(cc1)[*:1]
Cc1nc(-c2ccc(CC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Cc1ccc(cc1)[*:1])NNC(=O)c1ccc(cc1)-n1cnnn1
CC[NH2+][C@H](CC1CC1)[C@H]1CN(C)CCO1 C1CC1[*:1] CC[NH2+][C@H](C[*:1])[C@H]1CN(C)CCO1
CC[NH2+][C@H](CC1CC1)[C@H]1CN(C)CCO1 C1CC1C[*:1] CC[NH2+][C@H]([C@H]1CN(C)CCO1)[*:1]
C[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1nnc2ccccn12 CC(C)(C)OC(=O)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1nnc2ccccn12
C[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1nnc2ccccn12 CC(C)(C)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(=O)O[*:1])c1nnc2ccccn12
C[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(=O)OC(C)(C)C)[*:1]
C=C(C)CN(CC)C(=O)c1ccc(Cl)c([N-]S(C)(=O)=O)c1 C=C(C)[*:1] CCN(C[*:1])C(=O)c1ccc(Cl)c(c1)[N-]S(C)(=O)=O
C=C(C)CN(CC)C(=O)c1ccc(Cl)c([N-]S(C)(=O)=O)c1 C=C(C)C[*:1] CCN(C(=O)c1ccc(Cl)c(c1)[N-]S(C)(=O)=O)[*:1]
COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@@H]1C(=O)N[*:1])C(=O)c1ccc(F)cc1
COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C(=O)NCc2ccccc2)c1 COc1ccc(OC)c(c1)[*:1] O=C(NCc1ccccc1)[C@H]1CN(C[C@H]1[*:1])C(=O)c1ccc(F)cc1
COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C(=O)NCc2ccccc2)c1 O=C(NCc1ccccc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccc(F)cc1
COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@@H]1C(=O)NC[*:1])C(=O)c1ccc(F)cc1
COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C(=O)NCc2ccccc2)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@@H]1C(=O)NCc1ccccc1)C(=O)[*:1]
CC1([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)CC1 O=C([O-])[*:1] CC1(CC1)[C@@H]1C[C@@H](n2nc(cc2N1)[*:1])C(F)(F)F
CC1([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)CC1 CC1(CC1)[*:1] O=C([O-])c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
CC1([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)CC1 FC(F)(F)[*:1] CC1(CC1)[C@@H]1C[C@H](n2nc(cc2N1)C(=O)[O-])[*:1]
CCCCOCc1cc(C(=O)[O-])[nH]n1 O=C([O-])[*:1] CCCCOCc1cc([nH]n1)[*:1]
CCCCOCc1cc(C(=O)[O-])[nH]n1 CCC[*:1] O=C([O-])c1cc(COC[*:1])n[nH]1
CCCCOCc1cc(C(=O)[O-])[nH]n1 CCCC[*:1] O=C([O-])c1cc(CO[*:1])n[nH]1
COC(OC)[C@@](C)(Nc1ccc(Cl)c(Br)c1)C(=O)[O-] O=C([O-])[*:1] COC(OC)[C@@](C)(Nc1ccc(Cl)c(Br)c1)[*:1]
COC(OC)[C@@](C)(Nc1ccc(Cl)c(Br)c1)C(=O)[O-] COC(OC)[*:1] C[C@@](Nc1ccc(Cl)c(Br)c1)(C(=O)[O-])[*:1]
C[C@H](SCc1cccc(C(N)=O)c1)C(=O)N[C@H](C)c1ccccc1 NC(=O)[*:1] C[C@H](SCc1cccc(c1)[*:1])C(=O)N[C@H](C)c1ccccc1
C[C@H](SCc1cccc(C(N)=O)c1)C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](SCc1cccc(c1)C(N)=O)C(=O)N[C@H](C)[*:1]
C[C@H](SCc1cccc(C(N)=O)c1)C(=O)N[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H](SCc1cccc(c1)C(N)=O)C(=O)N[*:1]
CCOC(=O)C1CCN(C(=O)c2snc3c(=O)n(C)c([O-])nc23)CC1 CCOC(=O)[*:1] Cn1c([O-])nc2c(snc2c1=O)C(=O)N1CCC(CC1)[*:1]
CCc1ccccc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O CCc1ccccc1[*:1] O=C(CN1C(=O)c2cccc(c2C1=O)[N+](=O)[O-])N[*:1]
CCc1ccccc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O O=[N+]([O-])[*:1] CCc1ccccc1NC(=O)CN1C(=O)c2cccc(c2C1=O)[*:1]
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(C)(C)C3)cc(C3CC3)nc21 CC1(C)CCN(C1)C(=O)[*:1] CCCn1c(=O)[nH]c(=O)c2c(cc(nc21)C1CC1)[*:1]
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(C)(C)C3)cc(C3CC3)nc21 C1CC1[*:1] CCCn1c(=O)[nH]c(=O)c2c(cc(nc21)[*:1])C(=O)N1CCC(C)(C)C1
CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(C)(C)C3)cc(C3CC3)nc21 CCC[*:1] CC1(C)CCN(C1)C(=O)c1cc(nc2c1c(=O)[nH]c(=O)n2[*:1])C1CC1
COc1ccc(/C=C2\SC(=O)N(CC(=O)N[C@H](C)C(=O)[O-])C2=O)cc1OC O=C([O-])[*:1] COc1ccc(/C=C2\SC(=O)N(CC(=O)N[C@H](C)[*:1])C2=O)cc1OC
COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)[C@@H]1c1cccs1 COC[*:1] O=C([C@@H]1c2ccccc2C(=O)N(C[*:1])[C@H]1c1cccs1)N1CCOCC1
COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)[C@@H]1c1cccs1 O=C(N1CCOCC1)[*:1] COCCN1C(=O)c2ccccc2[C@@H]([C@@H]1c1cccs1)[*:1]
COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)[C@@H]1c1cccs1 COCC[*:1] O=C([C@@H]1c2ccccc2C(=O)N([C@H]1c1cccs1)[*:1])N1CCOCC1
COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)[C@@H]1c1cccs1 c1csc(c1)[*:1] COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)[C@H]1[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)N1CC[C@H](O)C1 CC(C)(C)[*:1] O=C([O-])CN(C(=O)N1CC[C@H](O)C1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)N1CC[C@H](O)C1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)N1CC[C@H](O)C1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)N1CC[C@H](O)C1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)N1CC[C@H](O)C1
C[C@@H](N(C)c1cc(Cl)c(Cl)cc1N)C(C)(C)C CC(C)(C)[*:1] C[C@@H](N(C)c1cc(Cl)c(Cl)cc1N)[*:1]
C[C@@H]1CCC[C@H]1[NH2+]CCNC(=O)CC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H]1CCC[C@H]1[NH2+]CCNC(=O)C[*:1]
CCC(=O)Nc1ccc(-c2csc([C@@H]3CN(Cc4ccccc4)CCO3)n2)cc1 c1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)-c1csc(n1)[C@@H]1CN(CCO1)C[*:1]
CCC(=O)Nc1ccc(-c2csc([C@@H]3CN(Cc4ccccc4)CCO3)n2)cc1 c1ccc(cc1)C[*:1] CCC(=O)Nc1ccc(cc1)-c1csc(n1)[C@@H]1CN(CCO1)[*:1]
CCC(=O)Nc1ccc(-c2csc([C@@H]3CN(Cc4ccccc4)CCO3)n2)cc1 CCC(=O)N[*:1] c1ccc(cc1)CN1CCO[C@@H](C1)c1nc(cs1)-c1ccc(cc1)[*:1]
CCOCCC(=O)NC/C=C/c1ccccc1 CCOCC[*:1] O=C(NC/C=C/c1ccccc1)[*:1]
CCOCCC(=O)NC/C=C/c1ccccc1 CCOC[*:1] O=C(C[*:1])NC/C=C/c1ccccc1
CCOCCC(=O)NC/C=C/c1ccccc1 CCO[*:1] O=C(CC[*:1])NC/C=C/c1ccccc1
Cc1ccc2cc(/C=N/NC(=O)/C([O-])=N/c3nnc(-c4ccccc4)s3)c(Cl)nc2c1 c1ccc(cc1)[*:1] Cc1ccc2cc(/C=N/NC(=O)/C([O-])=N/c3nnc(s3)[*:1])c(Cl)nc2c1
Cc1nc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cs1 Cc1nc(cs1)[*:1] Clc1ccc(cc1)-c1nnc(SC[*:1])n1-c1ccccc1
Cc1nc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cs1 Clc1ccc(cc1)[*:1] Cc1nc(cs1)CSc1nnc(n1-c1ccccc1)[*:1]
Cc1nc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CSc1nnc(-c2ccc(Cl)cc2)n1[*:1]
Cc1nc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cs1 Cc1nc(cs1)C[*:1] Clc1ccc(cc1)-c1nnc(S[*:1])n1-c1ccccc1
Cc1nc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cs1 Cc1nc(cs1)CS[*:1] Clc1ccc(cc1)-c1nnc(n1-c1ccccc1)[*:1]
NC(=O)C[NH+](Cc1ccccc1)Cc1cccc2cn[nH]c12 c1ccc(cc1)C[*:1] NC(=O)C[NH+](Cc1cccc2cn[nH]c12)[*:1]
NC(=O)C[NH+](Cc1ccccc1)Cc1cccc2cn[nH]c12 NC(=O)C[*:1] c1ccc(cc1)C[NH+](Cc1cccc2cn[nH]c12)[*:1]
NC(=O)C[NH+](Cc1ccccc1)Cc1cccc2cn[nH]c12 NC(=O)[*:1] c1ccc(cc1)C[NH+](Cc1cccc2cn[nH]c12)C[*:1]
NC(=O)C[NH+](Cc1ccccc1)Cc1cccc2cn[nH]c12 c1ccc(cc1)[*:1] NC(=O)C[NH+](Cc1cccc2cn[nH]c12)C[*:1]
O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N1C[C@H]2CC=CC[C@H]2C1 Clc1ccc(cc1)[*:1] O=C(CCc1nnc(o1)[*:1])N1C[C@H]2CC=CC[C@H]2C1
C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C2=O)c2ccc(Cl)cc2)c(C)n1C[*:1]
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1Cc1ccc(F)cc1 Clc1ccc(cc1)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(C2=O)[*:1])c(C)n1Cc1ccc(F)cc1
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C2=O)c2ccc(Cl)cc2)c(C)n1[*:1]
O=S(=O)(NCCc1csc(-n2cccn2)n1)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=S(=O)(NCCc1csc(n1)-n1cccn1)[*:1]
O=S(=O)(NCCc1csc(-n2cccn2)n1)c1cc(F)cc(F)c1 c1cnn(c1)[*:1] O=S(=O)(NCCc1csc(n1)[*:1])c1cc(F)cc(F)c1
NC(=O)C1([NH2+]Cc2nnc(Cc3ccccc3)o2)CCCCC1 c1ccc(cc1)[*:1] NC(=O)C1(CCCCC1)[NH2+]Cc1nnc(C[*:1])o1
NC(=O)C1([NH2+]Cc2nnc(Cc3ccccc3)o2)CCCCC1 NC(=O)[*:1] c1ccc(cc1)Cc1nnc(C[NH2+]C2(CCCCC2)[*:1])o1
NC(=O)C1([NH2+]Cc2nnc(Cc3ccccc3)o2)CCCCC1 c1ccc(cc1)C[*:1] NC(=O)C1(CCCCC1)[NH2+]Cc1nnc(o1)[*:1]
Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl C1CC1[*:1] Cc1cccc(C)c1NC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N[*:1]
Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl Cc1cccc(C)c1[*:1] O=C(N[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)NC1CC1
Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl O=S(=O)(NC1CC1)[*:1] Cc1cccc(C)c1NC(=O)c1cc(c(Cl)cc1Cl)[*:1]
Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2Cc1cccc(Cl)c1 CC(C)(C)C(=O)N[*:1] Cc1nc2c(cc1[*:1])nc(C)n2Cc1cccc(Cl)c1
Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2Cc1cccc(Cl)c1 CC(C)(C)[*:1] Cc1nc2c(cc1NC(=O)[*:1])nc(C)n2Cc1cccc(Cl)c1
Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2C[*:1]
Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2[*:1]
C[C@H](Cl)C(=O)c1ccc(O)cc1 C[C@H](Cl)[*:1] O=C(c1ccc(O)cc1)[*:1]
CC(C)C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCC(CO)CC1 CC(C)[*:1] C[C@@H]1CCC[C@@H](C[NH2+][C@@H](C[*:1])C(=O)N2CCC(CO)CC2)C1
CC(C)C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCC(CO)CC1 CC(C)C[*:1] C[C@@H]1CCC[C@@H](C[NH2+][C@H](C(=O)N2CCC(CO)CC2)[*:1])C1
CC[C@H]1CCCCN1C(=O)CC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@H]1CCCCN1C(=O)CC[*:1]
C[NH2+]C1CCC(N(C)c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] C[NH2+]C1CCC(CC1)N(C)c1ccc(cc1)[*:1]
Cc1c(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)oc2c(Cl)cccc12 FC(F)(F)[*:1] Cc1c(oc2c(Cl)cccc12)C(=O)NCCNC(=O)c1ccc(cc1)[*:1]
CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCOCC2)n1 CC(C)(C)[*:1] CSc1nc(-c2ccc(cc2)[*:1])c(C#N)c(n1)N1CCOCC1
CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCOCC2)n1 C1CN(CCO1)[*:1] CSc1nc(-c2ccc(cc2)C(C)(C)C)c(C#N)c(n1)[*:1]
CN(C(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1)c1ccccc1 Clc1cccc(Cl)c1[*:1] CN(C(=O)c1ccc(=O)n(c1)C[*:1])c1ccccc1
CN(C(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(=O)n(c1)Cc1c(Cl)cccc1Cl)[*:1]
CC[C@@H]1CCCCCN1C(=O)Nc1cnn(CC(F)F)c1 FC(F)[*:1] CC[C@@H]1CCCCCN1C(=O)Nc1cnn(c1)C[*:1]
CC[C@@H]1CCCCCN1C(=O)Nc1cnn(CC(F)F)c1 FC(F)C[*:1] CC[C@@H]1CCCCCN1C(=O)Nc1cnn(c1)[*:1]
CNC(=O)CC1CCN(C(=O)c2cc(C)cc(Br)c2O)CC1 CNC(=O)[*:1] Cc1cc(Br)c(O)c(c1)C(=O)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)c2cc(C)cc(Br)c2O)CC1 CNC(=O)C[*:1] Cc1cc(Br)c(O)c(c1)C(=O)N1CCC(CC1)[*:1]
CCc1ccc([C@H](O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])s1 O=C([O-])[*:1] CCc1ccc(s1)[C@H](O)[C@@H]1CC=CC[C@H]1[*:1]
N#C/C(=C/c1cc(Cl)cc(Cl)c1Cl)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] N#C/C(=C/c1cc(Cl)cc(Cl)c1Cl)C(=O)N[*:1]
N#C/C(=C/c1cc(Cl)cc(Cl)c1Cl)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C/c1cc(Cl)cc(Cl)c1Cl)C(=O)NC[*:1]
COc1ccc(NC(=O)[C@H](C)Sc2c([O-])on[n+]2-c2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@H](C)Sc1c([O-])on[n+]1[*:1]
COc1ccc(NC(=O)[C@H](C)Sc2c([O-])on[n+]2-c2ccccc2)cc1Cl COc1ccc(cc1Cl)[*:1] C[C@H](Sc1c([O-])on[n+]1-c1ccccc1)C(=O)N[*:1]
CN(C)C(=O)C1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 c1csc(c1)[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)NC[C@H]([NH+](C)C)[*:1]
CN(C)C(=O)C1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 CN(C)C(=O)[*:1] C[NH+](C)[C@H](CNC(=O)N1CCC(CC1)[*:1])c1cccs1
COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C(C)C)CC1 CC(C)[*:1] COc1cc(ccc1NC(=O)C[NH+]1CCC(CC1)[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C(C)C)CC1 O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)C[NH+]1CCC(CC1)C(C)C)[*:1]
Cc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)[NH+](C)C)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)Nc1ccc(c(C)c1)[*:1])[NH+](C)C
Cc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)[NH+](C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)Nc1ccc(C(=O)N[*:1])c(C)c1)[NH+](C)C
Cc1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)NC[C@@H]([NH+](C)C)[*:1]
COc1ccccc1Oc1ccc(C(=O)N[C@H]2CCSC2=O)cn1 COc1ccccc1[*:1] O=C(N[C@H]1CCSC1=O)c1ccc(nc1)O[*:1]
O=S(=O)(/N=C(\[O-])CSc1ccc(F)c(F)c1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=S(=O)(/N=C(\[O-])CSc1ccc(F)c(F)c1)[*:1]
Cc1cccc(Cn2nc(C)c(/C=C(\[O-])NC3CC3)c2C)c1 C1CC1N[*:1] Cc1cccc(c1)Cn1nc(C)c(/C=C(\[O-])[*:1])c1C
Cc1cccc(Cn2nc(C)c(/C=C(\[O-])NC3CC3)c2C)c1 C1CC1[*:1] Cc1cccc(c1)Cn1nc(C)c(/C=C(\[O-])N[*:1])c1C
Cc1cccc(Cn2nc(C)c(/C=C(\[O-])NC3CC3)c2C)c1 Cc1cccc(c1)[*:1] Cc1nn(C[*:1])c(C)c1/C=C(\[O-])NC1CC1
COc1cc([C@@H]2c3cccn3CCN2C(=S)Nc2ccccc2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1c2cccn2CCN1C(=S)N[*:1]
CC(C)(C)C(=O)NNC(=O)c1cnccn1 CC(C)(C)[*:1] O=C(NNC(=O)[*:1])c1cnccn1
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(F)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] O=C1N[C@H](c2ccc(o2)-c2ccc(F)cc2)[C@@H](C(=O)[*:1])[C@](O)(N1)C(F)(F)F
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(F)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(=O)[C@@H]1[C@H](NC(=O)N[C@@]1(O)[*:1])c1ccc(o1)-c1ccc(F)cc1
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(F)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)[C@@H]1[C@H](NC(=O)N[C@]1(O)C(F)(F)F)c1ccc(o1)[*:1]
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(F)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1N[C@H](c2ccc(o2)-c2ccc(F)cc2)[C@H]([C@](O)(N1)C(F)(F)F)[*:1]
Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O CC(C)(C)[*:1] Cc1nn(cc1[C@H](C)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O)[*:1]
COc1ccc(F)cc1NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C CC(C)(C)[*:1] COc1ccc(F)cc1NC(=O)NC[C@H]1CCCO[C@H]1[*:1]
Cc1ccc(C(=O)C[C@@H](C)n2nnc3ccccc32)cc1 Cc1ccc(cc1)[*:1] C[C@H](CC(=O)[*:1])n1nnc2ccccc21
Cc1ccc(C(=O)NC[C@@H](C)c2ccsc2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)NC[C@@H](C)c1ccsc1
Cc1ccc(C(=O)NC[C@@H](C)c2ccsc2)cc1S(N)(=O)=O c1cc(cs1)[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)NC[C@@H](C)[*:1]
CC(C)c1ccc2occ(CC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c2c1 c1csc(c1)C[*:1] CC(C)c1ccc2occ(CC(=O)N([C@H]3CCS(=O)(=O)C3)[*:1])c2c1
CC(C)c1ccc2occ(CC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c2c1 CC(C)[*:1] O=C(Cc1coc2ccc(cc12)[*:1])N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1
CC(C)c1ccc2occ(CC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c2c1 c1csc(c1)[*:1] CC(C)c1ccc2occ(CC(=O)N(C[*:1])[C@H]3CCS(=O)(=O)C3)c2c1
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCc3ccco3)CS[C@@H]21 c1coc(c1)C[*:1] COc1ccc2c(C(=O)N3[C@H](CS[C@@H]23)C(=O)N[*:1])c1OC
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCc3ccco3)CS[C@@H]21 c1coc(c1)[*:1] COc1ccc2c(C(=O)N3[C@H](CS[C@@H]23)C(=O)NC[*:1])c1OC
Cc1cc(C)nc(CNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)n1 Cc1cc(C)nc(C[*:1])n1 O=C(N[*:1])c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
Cc1cc(C)nc(CNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)n1 C1CC1[*:1] Cc1cc(C)nc(CNC(=O)c2ccc(cc2)OC2CCN(CC2)C(=O)[*:1])n1
Cc1cc(C)nc(CNC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)n1 Cc1cc(C)nc(n1)[*:1] O=C(NC[*:1])c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
COc1ccc(OC)c(S(=O)(=O)NCCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)NCC[*:1]
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c[nH]1 Cc1nn(C)c(C)c1[*:1] C[C@@H](Sc1nc(c[nH]1)-c1ccccc1)C(=O)N[*:1]
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c[nH]1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nc(c[nH]1)[*:1]
CCCN(CC(=O)NC)C(=O)C1C[C@@H](C)O[C@H](C)C1 CCC[*:1] CNC(=O)CN(C(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
CCCN(CC(=O)NC)C(=O)C1C[C@@H](C)O[C@H](C)C1 CNC(=O)C[*:1] CCCN(C(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
CCCN(CC(=O)NC)C(=O)C1C[C@@H](C)O[C@H](C)C1 CNC(=O)[*:1] CCCN(C[*:1])C(=O)C1C[C@@H](C)O[C@H](C)C1
CN(C(=O)c1cccc2cc[nH]c12)C1CCC1 C1CC(C1)[*:1] CN(C(=O)c1cccc2cc[nH]c12)[*:1]
CCOCc1ccc(NC(=O)c2csc(COC)n2)cc1 CCO[*:1] COCc1nc(cs1)C(=O)Nc1ccc(cc1)C[*:1]
CCOCc1ccc(NC(=O)c2csc(COC)n2)cc1 COC[*:1] CCOCc1ccc(cc1)NC(=O)c1csc(n1)[*:1]
CCOCc1ccc(NC(=O)c2csc(COC)n2)cc1 CCOC[*:1] COCc1nc(cs1)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)cc1OC COC(=O)[*:1] COc1cc(ccc1[*:1])C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1
C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 c1cc(cs1)C[*:1] C[C@H](NS(=O)(=O)c1cccc(c1)-n1cnnn1)[*:1]
C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 c1cc(cs1)[*:1] C[C@H](C[*:1])NS(=O)(=O)c1cccc(c1)-n1cnnn1
C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] C[C@H](Cc1ccsc1)NS(=O)(=O)c1cccc(c1)[*:1]
O=C(c1ncccc1C(F)(F)F)N1CC[C@H](Oc2cccnc2)C1 c1cncc(c1)O[*:1] O=C(c1ncccc1C(F)(F)F)N1CC[C@H](C1)[*:1]
O=C(c1ncccc1C(F)(F)F)N1CC[C@H](Oc2cccnc2)C1 c1cncc(c1)[*:1] O=C(c1ncccc1C(F)(F)F)N1CC[C@@H](C1)O[*:1]
O=C(c1ncccc1C(F)(F)F)N1CC[C@H](Oc2cccnc2)C1 FC(F)(F)[*:1] O=C(c1ncccc1[*:1])N1CC[C@@H](C1)Oc1cccnc1
O=C(NCc1ccc(COC2CCCCC2)cc1)c1cnc2sccn2c1=O C1CCC(CC1)O[*:1] O=C(NCc1ccc(cc1)C[*:1])c1cnc2sccn2c1=O
O=C(NCc1ccc(COC2CCCCC2)cc1)c1cnc2sccn2c1=O C1CCC(CC1)OC[*:1] O=C(NCc1ccc(cc1)[*:1])c1cnc2sccn2c1=O
O=C(NCc1ccc(COC2CCCCC2)cc1)c1cnc2sccn2c1=O C1CCC(CC1)[*:1] O=C(NCc1ccc(cc1)CO[*:1])c1cnc2sccn2c1=O
Cc1ccc(CCC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)CC[*:1]
Cc1ccc(CCC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 Cc1noc(C)c1[*:1] Cc1ccc(cc1)CCC1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(CCC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)C[*:1]
Cc1ccc(N)cc1NC(=O)CSC[C@H](O)CO OC[C@@H](O)CS[*:1] Cc1ccc(N)cc1NC(=O)C[*:1]
Cc1ccc(N)cc1NC(=O)CSC[C@H](O)CO OC[C@@H](O)C[*:1] Cc1ccc(N)cc1NC(=O)CS[*:1]
Cc1ccc(N)cc1NC(=O)CSC[C@H](O)CO OC[C@@H](O)[*:1] Cc1ccc(N)cc1NC(=O)CSC[*:1]
C[C@H](S[C@@H]1NN=C(c2cccs2)N1N)C1=NC(=O)C2=C3CC[C@@H](C)C[C@H]3SC2=N1 c1csc(c1)[*:1] C[C@H](S[C@@H]1NN=C(N1N)[*:1])C1N=C2S[C@@H]3C[C@H](C)CCC3=C2C(=O)N=1
COC(=O)c1ccc(C[NH2+]CC(C)(C)O)[nH]1 CC(C)(O)[*:1] COC(=O)c1ccc(C[NH2+]C[*:1])[nH]1
COC(=O)c1ccc(C[NH2+]CC(C)(C)O)[nH]1 CC(C)(O)C[*:1] COC(=O)c1ccc(C[NH2+][*:1])[nH]1
COC(=O)c1ccc(C[NH2+]CC(C)(C)O)[nH]1 COC(=O)[*:1] CC(C)(O)C[NH2+]Cc1ccc([nH]1)[*:1]
COc1cc(C=O)cc(I)c1OCC(=O)NCc1ccco1 c1coc(c1)[*:1] COc1cc(C=O)cc(I)c1OCC(=O)NC[*:1]
COc1cc(C=O)cc(I)c1OCC(=O)NCc1ccco1 c1coc(c1)C[*:1] COc1cc(C=O)cc(I)c1OCC(=O)N[*:1]
COc1ccc(C[NH+]2CCC(c3cnn(C)c3)CC2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])C[NH+]1CCC(CC1)c1cnn(C)c1
COc1ccc(C[NH+]2CCC(c3cnn(C)c3)CC2)cc1OC(F)F Cn1cc(cn1)[*:1] COc1ccc(cc1OC(F)F)C[NH+]1CCC(CC1)[*:1]
COc1ccc(C[NH+]2CCC(c3cnn(C)c3)CC2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])C[NH+]1CCC(CC1)c1cnn(C)c1
Cn1cc(NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])c1cc2sc(nc2s1)Nc1ccccc1
Cn1cc(NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cn1 c1ccc(cc1)N[*:1] Cn1cc(cn1)NC(=O)c1cc2sc(nc2s1)[*:1]
Cn1cc(NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)NC(=O)c1cc2sc(nc2s1)N[*:1]
Cc1nn(C)c(Cl)c1CS(=O)(=O)CC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nn(C)c(Cl)c1CS(=O)(=O)CC(=O)N[*:1]
CCSc1ccc(NC(=O)N2C[C@H](O)C[C@H]2C2CCCCC2)cn1 CCS[*:1] O=C(Nc1ccc(nc1)[*:1])N1C[C@H](O)C[C@H]1C1CCCCC1
CCSc1ccc(NC(=O)N2C[C@H](O)C[C@H]2C2CCCCC2)cn1 C1CCC(CC1)[*:1] CCSc1ccc(cn1)NC(=O)N1C[C@H](O)C[C@@H]1[*:1]
COc1cc(-c2ccc(O)c(-c3ccno3)c2)cc(OC)c1OC c1cc(on1)[*:1] COc1cc(cc(OC)c1OC)-c1ccc(O)c(c1)[*:1]
CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 O=C([O-])[*:1] CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(O)c(c1)[*:1]
CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 CC1(C)CCC[C@@H]1[*:1] O=C([O-])c1cc(ccc1O)S(=O)(=O)N[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1C#N
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 N#Cc1ccccc1[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CNC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1C#N)[*:1]
CCCc1cc(C(=O)NCc2cc(N3CCOCC3)ncn2)ccn1 C1CN(CCO1)[*:1] CCCc1cc(ccn1)C(=O)NCc1cc(ncn1)[*:1]
CCCc1cc(C(=O)NCc2cc(N3CCOCC3)ncn2)ccn1 CCC[*:1] O=C(NCc1cc(ncn1)N1CCOCC1)c1ccnc(c1)[*:1]
Cc1cc(C[C@H](C)NC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@H](NC(=O)NC[C@@H](C)c1nc(no1)-c1ccccc1)[*:1]
Cc1cc(C[C@H](C)NC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@@H](C[*:1])NC(=O)NC[C@@H](C)c1nc(no1)-c1ccccc1
Cc1cc(C[C@H](C)NC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)n[nH]1 c1ccc(cc1)[*:1] Cc1cc(C[C@H](C)NC(=O)NC[C@@H](C)c2nc(no2)[*:1])n[nH]1
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C)cc2)N(Cc2cccnc2)C3=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1c2c(n[nH]c2C(=O)N1Cc1cccnc1)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C)cc2)N(Cc2cccnc2)C3=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(Cc3cccnc3)[C@H](c12)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C)cc2)N(Cc2cccnc2)C3=O)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N([C@H](c3ccc(C)cc3)c12)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C)cc2)N(Cc2cccnc2)C3=O)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[*:1])[C@H](c3ccc(C)cc3)c12
C[NH2+]Cc1cnc([C@@H]2CN(C(C)C)CCO2)s1 CC(C)[*:1] C[NH2+]Cc1cnc(s1)[C@@H]1CN(CCO1)[*:1]
Cc1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1 CN(S(C)(=O)=O)[*:1] Cc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
N#Cc1ccc(-c2noc(C3CCOCC3)n2)nc1 C1CC(CCO1)[*:1] N#Cc1ccc(nc1)-c1noc(n1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccn1 c1ccc(nc1)[*:1] Cc1cc(ccc1NC(=O)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccn1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)c1ccccn1)[*:1]
CCC[C@H]1CN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CCO1 CCC[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)N1CCO[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)o2)C1 c1ccc(cc1)O[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)c1ccc(o1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)o2)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)C(=O)c1ccc(Oc2ccccc2)o1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)o2)C1 c1ccc(cc1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)c1ccc(O[*:1])o1
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)o2)C1 COC(=O)C(C)(C)[*:1] O=C(c1ccc(Oc2ccccc2)o1)N1CCC[C@@H](C1)[*:1]
COc1cc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc(OC)c1 O=C(N[*:1])c1ccccc1 COc1cc(cc(c1)OC)NC(=O)Nc1ccc2sc(nc2c1)[*:1]
COc1cc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc(OC)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)Nc1ccc2sc(nc2c1)NC(=O)[*:1]
COc1cc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc(OC)c1 COc1cc(cc(c1)[*:1])OC O=C(Nc1ccc2sc(nc2c1)NC(=O)c1ccccc1)N[*:1]
CC[NH2+]Cc1cnn(-c2ccc(F)cc2C)c1C(F)F FC(F)[*:1] CC[NH2+]Cc1cnn(-c2ccc(F)cc2C)c1[*:1]
C[C@@H]1CCN(C(=O)NCC2(c3cccc(Br)c3)CC2)C[C@@H]1O Brc1cccc(c1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCC1(CC1)[*:1]
N#CCOc1cccc(CC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])N1CCO[C@H](C1)c1cccc(O)c1
N#CCOc1cccc(CC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1 Oc1cccc(c1)[*:1] N#CCOc1cccc(c1)CC(=O)N1CCO[C@@H](C1)[*:1]
N#CCOc1cccc(CC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])N1CCO[C@H](C1)c1cccc(O)c1
CNS(=O)(=O)[C@H]1CCN(c2cnccc2C#N)C1 CNS(=O)(=O)[*:1] N#Cc1ccncc1N1CC[C@@H](C1)[*:1]
O=C1N[C@H](c2ccco2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 c1coc(c1)[*:1] O=C1N[C@H]([C@H](C(=O)c2ccccc2)[C@](O)(N1)C(F)(F)F)[*:1]
O=C1N[C@H](c2ccco2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 FC(F)(F)[*:1] O=C1N[C@H](c2ccco2)[C@H](C(=O)c2ccccc2)[C@@](O)(N1)[*:1]
O=C1N[C@H](c2ccco2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 O=C(c1ccccc1)[*:1] O=C1N[C@H](c2ccco2)[C@H]([C@](O)(N1)C(F)(F)F)[*:1]
O=C1N[C@H](c2ccco2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 c1ccc(cc1)[*:1] O=C1N[C@H](c2ccco2)[C@H](C(=O)[*:1])[C@](O)(N1)C(F)(F)F
Cn1ncnc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 Cn1ncnc1[*:1] O=C(N[*:1])N1CCC[C@H](CC1)[NH+]1CCCC1
CCN[C@@]1(C#N)CCC[C@H](Sc2ccc(OC)cc2)C1 CCN[*:1] COc1ccc(cc1)S[C@H]1CCC[C@](C#N)(C1)[*:1]
O=C([O-])[C@@H]1CCC(=O)N(CCCOC2CCCCC2)[C@H]1c1ccco1 C1CCC(CC1)[*:1] O=C([O-])[C@@H]1CCC(=O)N(CCCO[*:1])[C@H]1c1ccco1
O=C([O-])[C@@H]1CCC(=O)N(CCCOC2CCCCC2)[C@H]1c1ccco1 c1coc(c1)[*:1] O=C([O-])[C@@H]1CCC(=O)N(CCCOC2CCCCC2)[C@@H]1[*:1]
O=C([O-])[C@@H]1CCC(=O)N(CCCOC2CCCCC2)[C@H]1c1ccco1 C1CCC(CC1)O[*:1] O=C([O-])[C@@H]1CCC(=O)N(CCC[*:1])[C@H]1c1ccco1
O=C([O-])[C@@H]1CCC(=O)N(CCCOC2CCCCC2)[C@H]1c1ccco1 C1CCC(CC1)OC[*:1] O=C([O-])[C@@H]1CCC(=O)N(CC[*:1])[C@H]1c1ccco1
O=C([O-])[C@@H]1CCC(=O)N(CCCOC2CCCCC2)[C@H]1c1ccco1 O=C([O-])[*:1] O=C1CC[C@H]([C@H](c2ccco2)N1CCCOC1CCCCC1)[*:1]
COC(=O)C1(NC(=O)Cc2ccc(-n3cccn3)cc2)CCCCC1 c1cnn(c1)[*:1] COC(=O)C1(CCCCC1)NC(=O)Cc1ccc(cc1)[*:1]
COC(=O)C1(NC(=O)Cc2ccc(-n3cccn3)cc2)CCCCC1 COC(=O)[*:1] O=C(Cc1ccc(cc1)-n1cccn1)NC1(CCCCC1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N[C@H](CO)c1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1ccc(cc1NC(=O)N[C@H](CO)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)N[C@H](CO)c1cnn(C)c1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N[C@H](CO)c1cnn(C)c1)[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)CC1(O)CCCC1 OC1(CCCC1)[*:1] Cc1noc(C)c1C[C@@H](C)NC(=O)C[*:1]
O=C(Nc1nncs1)c1ccnc(NC2CC2)c1 C1CC1[*:1] O=C(Nc1nncs1)c1ccnc(c1)N[*:1]
O=C(Nc1nncs1)c1ccnc(NC2CC2)c1 c1nnc(s1)[*:1] O=C(N[*:1])c1ccnc(c1)NC1CC1
O=C(Nc1nncs1)c1ccnc(NC2CC2)c1 C1CC1N[*:1] O=C(Nc1nncs1)c1ccnc(c1)[*:1]
CN(Cc1ccccc1)C(=S)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CN(Cc1ccccc1)C(=S)NC[*:1]
CN(Cc1ccccc1)C(=S)NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] CN(C[*:1])C(=S)NC[C@@H]1CCCO1
CN(Cc1ccccc1)C(=S)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CN(Cc1ccccc1)C(=S)N[*:1]
COc1ccc(CN2Cc3cc(NC(=O)C(C)C)ccc3OCC2=O)c(OC)c1 CC(C)C(=O)N[*:1] COc1ccc(CN2Cc3cc(ccc3OCC2=O)[*:1])c(c1)OC
COc1ccc(CN2Cc3cc(NC(=O)C(C)C)ccc3OCC2=O)c(OC)c1 CC(C)[*:1] COc1ccc(CN2Cc3cc(ccc3OCC2=O)NC(=O)[*:1])c(c1)OC
COC(=O)c1c[nH]c(C2([NH3+])CCC2)n1 COC(=O)[*:1] [NH3+]C1(CCC1)c1nc(c[nH]1)[*:1]
Cc1ccc(NC(=O)CSc2nnc(C(C)(C)C)n2N)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(n1N)[*:1]
Cc1nnc2sc(-c3ccc(CNC(=O)COc4ccc(Br)cc4)cc3)nn12 Cc1nnc2sc(nn12)[*:1] O=C(COc1ccc(Br)cc1)NCc1ccc(cc1)[*:1]
Cc1nnc2sc(-c3ccc(CNC(=O)COc4ccc(Br)cc4)cc3)nn12 Brc1ccc(cc1)[*:1] Cc1nnc2sc(nn12)-c1ccc(cc1)CNC(=O)CO[*:1]
Cc1nnc2sc(-c3ccc(CNC(=O)COc4ccc(Br)cc4)cc3)nn12 Brc1ccc(cc1)O[*:1] Cc1nnc2sc(nn12)-c1ccc(cc1)CNC(=O)C[*:1]
Cc1nnc2sc(-c3ccc(CNC(=O)COc4ccc(Br)cc4)cc3)nn12 Brc1ccc(cc1)OC[*:1] Cc1nnc2sc(nn12)-c1ccc(cc1)CNC(=O)[*:1]
CCOC(=O)c1ccccc1OC(=O)c1sc(C)nc1C Cc1nc(C)c(s1)[*:1] CCOC(=O)c1ccccc1OC(=O)[*:1]
CCOC(=O)c1ccccc1OC(=O)c1sc(C)nc1C CCOC(=O)[*:1] Cc1nc(C)c(s1)C(=O)Oc1ccccc1[*:1]
CNC(=O)c1ccc(CS[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 Fc1ccc(c(Cl)c1)[*:1] CNC(=O)c1ccc(cc1)CS[C@@H](C)C(=O)N[*:1]
CNC(=O)c1ccc(CS[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 CNC(=O)[*:1] C[C@H](SCc1ccc(cc1)[*:1])C(=O)Nc1ccc(F)cc1Cl
O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1NC1CCCCCC1 O=[N+]([O-])[*:1] c1nc(NC[C@H]2CCCO2)c(c(n1)NC1CCCCCC1)[*:1]
O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1NC1CCCCCC1 C1CCCC(CC1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NC[C@H]1CCCO1
O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1NC1CCCCCC1 C1CO[C@H](C1)[*:1] O=[N+]([O-])c1c(ncnc1NC1CCCCCC1)NC[*:1]
O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1NC1CCCCCC1 C1CO[C@H](C1)C[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NC1CCCCCC1
O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1NC1CCCCCC1 C1CO[C@H](C1)CN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NC1CCCCCC1
O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1NC1CCCCCC1 C1CCCC(CC1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NC[C@H]1CCCO1
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](Oc2cccc(C)c2)C1 O=C([O-])[*:1] C[NH2+][C@]1(CC[C@@H](C1)Oc1cccc(C)c1)[*:1]
CCCc1cc(NC(=O)N2CCO[C@H](c3ccco3)C2)n(C)n1 c1coc(c1)[*:1] CCCc1cc(NC(=O)N2CCO[C@H](C2)[*:1])n(C)n1
CCCc1cc(NC(=O)N2CCO[C@H](c3ccco3)C2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)N1CCO[C@@H](C1)c1ccco1)[*:1]
O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc([N+](=O)[O-])cc1 C1CCC(CC1)N[*:1] O=C(CSc1nnc(s1)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc([N+](=O)[O-])cc1 C1CCC(CC1)[*:1] O=C(CSc1nnc(N[*:1])s1)Nc1ccc(cc1)[N+](=O)[O-]
O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc(cc1)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(COC)ncn1 CCS[*:1] COCc1cc(ncn1)NC(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(COC)ncn1 COC[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(ncn1)[*:1]
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2ccccc2)cc1 COc1ccc(cc1)[*:1] CN(C(=O)CCc1c([nH]c2ccccc12)[*:1])c1ccccc1
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1[nH]c2ccccc2c1CCC(=O)N(C)[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)n1 Cc1cc(C)n(n1)[*:1] O=C(C[*:1])NNC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)n1 Cc1cc(C)n(C[*:1])n1 O=C(NNC(=O)[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)n1 C1CCC(C1)[*:1] Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2O[*:1])n1
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)n1 C1CCC(C1)O[*:1] Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CCCC[C@H]2[*:1])n1
C=CCN(Cc1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 c1ccc(cc1)[*:1] C=CCN(C[*:1])C(=O)Nc1nc(cs1)-c1cccnc1
C=CCN(Cc1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] C=CCN(Cc1ccccc1)C(=O)Nc1nc(cs1)[*:1]
C=CCN(Cc1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 c1ccc(cc1)C[*:1] C=CCN(C(=O)Nc1nc(cs1)-c1cccnc1)[*:1]
C=CCN(Cc1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 C=CC[*:1] O=C(Nc1nc(cs1)-c1cccnc1)N(Cc1ccccc1)[*:1]
Cc1nc(N)ncc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] Cc1nc(N)ncc1C(=O)N1CCC[C@@H](C1)C[*:1]
Cc1nc(N)ncc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] Cc1nc(N)ncc1C(=O)N1CCC[C@H](CC[*:1])C1
Cc1nc(N)ncc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 Cc1nc(N)ncc1[*:1] O=C(N1CCC[C@H](CCc2ccc(F)cc2)C1)[*:1]
Cc1ccc(F)cc1NC(=O)N1CC(=O)N2CCc3cc(F)ccc3[C@@H]2C1 Cc1ccc(F)cc1[*:1] O=C(N[*:1])N1CC(=O)N2CCc3cc(F)ccc3[C@@H]2C1
CN(CC(=O)N1CCC[C@@H](c2ccccc2)CC1)c1ncnc2[nH]cnc12 c1ccc(cc1)[*:1] CN(CC(=O)N1CCC[C@@H](CC1)[*:1])c1ncnc2[nH]cnc12
Cc1ccc(NC(=O)C(=O)NNC(=O)CCc2cccnc2)cc1C c1cncc(c1)CC[*:1] Cc1ccc(cc1C)NC(=O)C(=O)NNC(=O)[*:1]
Cc1ccc(NC(=O)C(=O)NNC(=O)CCc2cccnc2)cc1C c1cncc(c1)[*:1] Cc1ccc(cc1C)NC(=O)C(=O)NNC(=O)CC[*:1]
Cc1ccc(NC(=O)C(=O)NNC(=O)CCc2cccnc2)cc1C c1cncc(c1)C[*:1] Cc1ccc(cc1C)NC(=O)C(=O)NNC(=O)C[*:1]
Cc1ccc(NC(=O)C(=O)NNC(=O)CCc2cccnc2)cc1C Cc1ccc(cc1C)[*:1] O=C(CCc1cccnc1)NNC(=O)C(=O)N[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cnccn1 c1cnc(cn1)C[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cnccn1 c1cnc(cn1)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cnccn1 CC[S@@](=O)[*:1] CN(Cc1cnccn1)C(=O)N[C@H]1CCCC[C@H]1[*:1]
O=C1c2ccccc2C(=O)N1Cc1ccc(-c2nc3ccccc3o2)cc1 c1ccc2oc(nc2c1)[*:1] O=C1c2ccccc2C(=O)N1Cc1ccc(cc1)[*:1]
Cc1c(NC(=O)c2cccnc2N2CCCC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)c1cccnc1N1CCCC1
Cc1c(NC(=O)c2cccnc2N2CCCC2)cccc1[N+](=O)[O-] C1CCN(C1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)c1cccnc1[*:1]
O=C([O-])c1ccc(CNC(=O)c2ccc(F)cc2Br)o1 O=C([O-])[*:1] O=C(NCc1ccc(o1)[*:1])c1ccc(F)cc1Br
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)Nc2ncc(C)s2)cs1 Cc1cnc(s1)[*:1] CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[*:1])cs1
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)Nc2ncc(C)s2)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(/C=C/C(=O)Nc2ncc(C)s2)cs1)[*:1]
O=C(c1scnc1C1CC1)N1CCc2cc(Br)ccc21 C1CC1[*:1] O=C(c1scnc1[*:1])N1CCc2cc(Br)ccc21
Cc1c(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2n1C FC(F)(F)O[*:1] Cc1c(C(=O)C(=O)Nc2ccc(cc2)[*:1])c2ccccc2n1C
Cc1c(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2n1C FC(F)(F)[*:1] Cc1c(C(=O)C(=O)Nc2ccc(cc2)O[*:1])c2ccccc2n1C
Cc1ccc(N2C(=O)CS[C@]23C(=O)N(Cc2cccc(F)c2)c2ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C1CS[C@]2(C(=O)N(Cc3cccc(F)c3)c3ccccc32)N1[*:1]
Cc1ccc(N2C(=O)CS[C@]23C(=O)N(Cc2cccc(F)c2)c2ccccc23)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)N1C(=O)CS[C@]12C(=O)N(C[*:1])c1ccccc12
Cc1ccc(N2C(=O)CS[C@]23C(=O)N(Cc2cccc(F)c2)c2ccccc23)cc1 Fc1cccc(c1)C[*:1] Cc1ccc(cc1)N1C(=O)CS[C@]12C(=O)N(c1ccccc12)[*:1]
CCn1c([C@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)nc2ccccc21 c1cncc(c1)C[*:1] CCn1c(nc2ccccc21)[C@H]1CC(=O)Nc2c1cnn2[*:1]
CCn1c([C@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)nc2ccccc21 c1cncc(c1)[*:1] CCn1c(nc2ccccc21)[C@H]1CC(=O)Nc2c1cnn2C[*:1]
COc1cc(C)c(C)cc1S(=O)(=O)NCC1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1cc(C)c(C)cc1S(=O)(=O)NCC1(CC1)[*:1]
O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(COCc1cc(on1)-c1ccc2OCOc2c1)N[*:1]
O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1ccccc1F c1cc2OCOc2cc1[*:1] O=C(COCc1cc(on1)[*:1])Nc1ccccc1F
CN(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1c(F)cccc1F CN(C)[*:1] O=C(NC[C@@H](c1c(F)cccc1F)[*:1])[C@@H]1CCCN1C(=O)c1cccs1
CN(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] CN(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)[*:1]
CN(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1c(F)cccc1F c1csc(c1)[*:1] CN(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)[*:1])c1c(F)cccc1F
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 O=[N+]([O-])[*:1] N#C/C(=C\c1cccc(c1)[*:1])C(=O)NCc1ccccc1
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1cccc(c1)[N+](=O)[O-])C(=O)NC[*:1]
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] N#C/C(=C\c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
C=CCN1C(=O)c2ccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2C1=O c1ccc(cc1)[*:1] C=CCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
C=CCN1C(=O)c2ccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2C1=O C=CC[*:1] Cc1c(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)[*:1])c(=O)n(-c2ccccc2)n1C
O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Br)o1 c1ccc(cc1)[*:1] O=C(O[C@H](C(=O)[*:1])c1ccccc1)c1ccc(Br)o1
O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Br)o1 c1ccc(cc1)[*:1] O=C(O[C@H](C(=O)c1ccccc1)[*:1])c1ccc(Br)o1
O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(c1ccccc1)[C@@H](OC(=O)[*:1])c1ccccc1
O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Br)o1 O=C(c1ccccc1)[*:1] O=C(O[C@H](c1ccccc1)[*:1])c1ccc(Br)o1
COc1ccc(CN(C)C(=O)C(=O)Nc2cc(F)ccc2F)cc1F Fc1ccc(F)c(c1)[*:1] COc1ccc(cc1F)CN(C)C(=O)C(=O)N[*:1]
Cc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)[N-]S(=O)(=O)c1cc(c(C)cc1F)[*:1]
CCc1ccc(S(=O)(=O)NC[C@H](C)C#N)cc1 C[C@H](C#N)C[*:1] CCc1ccc(cc1)S(=O)(=O)N[*:1]
CCc1ccc(S(=O)(=O)NC[C@H](C)C#N)cc1 C[C@H](C#N)[*:1] CCc1ccc(cc1)S(=O)(=O)NC[*:1]
O=C(Cc1c[nH]c2ccccc12)NNC(=O)CC1(O)CCCC1 OC1(CCCC1)[*:1] O=C(Cc1c[nH]c2ccccc12)NNC(=O)C[*:1]
O=C(Cc1c[nH]c2ccccc12)NNC(=O)CC1(O)CCCC1 OC1(CCCC1)C[*:1] O=C(Cc1c[nH]c2ccccc12)NNC(=O)[*:1]
CC(C)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 CC(C)[*:1] O=c1oc2cc(ccc2n1C[*:1])[N+](=O)[O-]
CC(C)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 CC(C)C[*:1] O=c1oc2cc(ccc2n1[*:1])[N+](=O)[O-]
CC(C)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CC(C)Cn1c(=O)oc2cc(ccc21)[*:1]
COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C c1cnc2nc(oc2c1)[*:1] COc1cccc(OC)c1C(=O)Nc1cc(ccc1C)[*:1]
N#Cc1cccc(NC(=O)CS[C@H]2N=C3C=C(c4ccccc4)N=C3C(=O)N2Cc2ccccc2)c1 N#Cc1cccc(c1)NC(=O)C[*:1] O=C1C2=NC(=CC2=N[C@H](S[*:1])N1Cc1ccccc1)c1ccccc1
N#Cc1cccc(NC(=O)CS[C@H]2N=C3C=C(c4ccccc4)N=C3C(=O)N2Cc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)CS[C@H]1N=C2C=C(N=C2C(=O)N1C[*:1])c1ccccc1
N#Cc1cccc(NC(=O)CS[C@H]2N=C3C=C(c4ccccc4)N=C3C(=O)N2Cc2ccccc2)c1 N#Cc1cccc(c1)NC(=O)[*:1] O=C1C2=NC(=CC2=N[C@H](SC[*:1])N1Cc1ccccc1)c1ccccc1
N#Cc1cccc(NC(=O)CS[C@H]2N=C3C=C(c4ccccc4)N=C3C(=O)N2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] N#Cc1cccc(c1)NC(=O)CS[C@H]1N=C2C=C(N=C2C(=O)N1[*:1])c1ccccc1
N#Cc1cccc(NC(=O)CS[C@H]2N=C3C=C(c4ccccc4)N=C3C(=O)N2Cc2ccccc2)c1 N#Cc1cccc(c1)[*:1] O=C(CS[C@H]1N=C2C=C(N=C2C(=O)N1Cc1ccccc1)c1ccccc1)N[*:1]
N#Cc1cccc(NC(=O)CS[C@H]2N=C3C=C(c4ccccc4)N=C3C(=O)N2Cc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)CS[C@H]1N=C2C=C(N=C2C(=O)N1Cc1ccccc1)[*:1]
CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1[*:1]
CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccccc1F CCOC(=O)[*:1] NC1Oc2c(c(=O)[nH]c3ccccc23)[C@@H](C=1[*:1])c1ccccc1F
Cn1ncc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c1-n1cccc1 c1ccn(c1)[*:1] Cn1ncc(C(=O)Nc2cccc(c2)-c2ncc[nH]2)c1[*:1]
Cn1ncc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c1-n1cccc1 c1c[nH]c(n1)[*:1] Cn1ncc(C(=O)Nc2cccc(c2)[*:1])c1-n1cccc1
CC(=O)[C@H](C)C(=O)c1ccccc1 CC(=O)[*:1] C[C@H](C(=O)c1ccccc1)[*:1]
C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccncc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccc(c1)S(=O)(=O)N[*:1])c1ccncc1
C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(F)cc1)[*:1]
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc3ccccc32)cc1 c1ccc2c(c1)ncn2[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)C[*:1])c1ccccc1
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc3ccccc32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)Cn1cnc2ccccc21)[*:1]
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc3ccccc32)cc1 c1ccc2c(c1)ncn2C[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)[*:1])c1ccccc1
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C(Cn1cnc2ccccc21)N1N=C(C[C@@H]1[*:1])c1ccccc1
C[C@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccsc1 C[C@H](c1ccsc1)[*:1] N#Cc1ccc(cc1)NCC(=O)NC[*:1]
C[C@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)CNc1ccc(C#N)cc1)[*:1]
CC(C)CCOC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 CC(C)[*:1] O=C(OCC[*:1])C1=CC=CN2CCS(=O)(=O)N=C12
CC(C)CCOC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 CC(C)C[*:1] O=C(OC[*:1])C1=CC=CN2CCS(=O)(=O)N=C12
CC(C)CCOC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 CC(C)CC[*:1] O=C(O[*:1])C1=CC=CN2CCS(=O)(=O)N=C12
COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1Cl Cc1ccc(cc1[N+](=O)[O-])[*:1] COc1ccc(cc1Cl)-n1nc2ccc(cc2n1)NC(=O)[*:1]
COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1Cl)-n1nc2ccc(cc2n1)NC(=O)c1ccc(C)c(c1)[*:1]
COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc2nn(nc2c1)[*:1]
CC[C@H](C)c1ccc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 CC[C@H](C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1C(=O)CC[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)c1ccc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CC[C@H](C)c1ccc(cc1)NC(=O)[C@H]1CCC(=O)N1S(=O)(=O)[*:1]
C[C@@H]1CC=CC[C@H]1COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] C[C@@H]1CC=CC[C@H]1COC(=O)Cc1ccc(cc1)[*:1]
Cc1cc(Oc2ncnc(NCc3ccc(Cl)cc3)c2N)ccc1Cl Cc1cc(ccc1Cl)[*:1] Nc1c(ncnc1O[*:1])NCc1ccc(Cl)cc1
Cc1cc(Oc2ncnc(NCc3ccc(Cl)cc3)c2N)ccc1Cl Clc1ccc(cc1)[*:1] Cc1cc(ccc1Cl)Oc1ncnc(NC[*:1])c1N
Cc1cc(Oc2ncnc(NCc3ccc(Cl)cc3)c2N)ccc1Cl Clc1ccc(cc1)C[*:1] Cc1cc(ccc1Cl)Oc1ncnc(N[*:1])c1N
O=C(NCc1ccccc1)c1cccnc1Nc1ccccc1Br c1ccc(cc1)C[*:1] O=C(N[*:1])c1cccnc1Nc1ccccc1Br
O=C(NCc1ccccc1)c1cccnc1Nc1ccccc1Br c1ccc(cc1)[*:1] O=C(NC[*:1])c1cccnc1Nc1ccccc1Br
O=C(NCc1ccccc1)c1cccnc1Nc1ccccc1Br Brc1ccccc1[*:1] O=C(NCc1ccccc1)c1cccnc1N[*:1]
O=C(NCc1ccccc1)c1cccnc1Nc1ccccc1Br Brc1ccccc1N[*:1] O=C(NCc1ccccc1)c1cccnc1[*:1]
Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]
Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)NC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1[*:1]
C=CCCC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C C=CC[*:1] COc1ccc(cc1)[C@H]1C[C@H](C)N(C1)C(=O)C[*:1]
C=CCCC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C C=CCC[*:1] COc1ccc(cc1)[C@H]1C[C@H](C)N(C1)C(=O)[*:1]
C[C@H](/[NH+]=C/c1ccccc1)[C@@H](C)/[NH+]=C/c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH+]=C[*:1])[C@@H](C)/[NH+]=C/c1ccccc1
CC(C)Oc1cncc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 CC(C)[*:1] N#C[C@@H](C(=O)c1cncc(c1)O[*:1])c1nc(cs1)-c1ccccc1
CC(C)Oc1cncc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 c1ccc(cc1)[*:1] CC(C)Oc1cncc(c1)C(=O)[C@H](C#N)c1nc(cs1)[*:1]
CC(C)Oc1cncc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 CC(C)O[*:1] N#C[C@@H](C(=O)c1cncc(c1)[*:1])c1nc(cs1)-c1ccccc1
Cc1ccc(C)c(S(=O)(=O)N(CCC#N)C2CC2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N(CCC#N)[*:1]
Cc1ccc(C)c(S(=O)(=O)N(CCC#N)C2CC2)c1 N#CCC[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N(C1CC1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N(CCC#N)C2CC2)c1 N#CC[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N(C[*:1])C1CC1
Cc1csc(CCCCNC(=O)C(=O)Nc2ccc(F)cc2F)n1 Fc1ccc(c(F)c1)[*:1] Cc1csc(CCCCNC(=O)C(=O)N[*:1])n1
Cc1csc(CCCCNC(=O)C(=O)Nc2ccc(F)cc2F)n1 Cc1csc(CC[*:1])n1 O=C(NCC[*:1])C(=O)Nc1ccc(F)cc1F
Cc1csc(CCCCNC(=O)C(=O)Nc2ccc(F)cc2F)n1 Cc1csc(n1)[*:1] O=C(NCCCC[*:1])C(=O)Nc1ccc(F)cc1F
Cc1csc(CCCCNC(=O)C(=O)Nc2ccc(F)cc2F)n1 Cc1csc(C[*:1])n1 O=C(NCCC[*:1])C(=O)Nc1ccc(F)cc1F
O=C(Nc1cccc2cccnc12)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 c1cn(cn1)[*:1] O=C(Nc1cccc2cccnc12)C1CCN(CC1)c1cc(ncn1)[*:1]
O=C(Nc1cccc2cccnc12)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 c1cnc2c(cccc2c1)[*:1] O=C(N[*:1])C1CCN(CC1)c1cc(ncn1)-n1ccnc1
O=C1CCCC(=O)N1CCS(=O)(=O)NCC#CCOc1cccc2ccccc12 O=C1CCCC(=O)N1C[*:1] O=S(=O)(C[*:1])NCC#CCOc1cccc2ccccc12
O=C1CCCC(=O)N1CCS(=O)(=O)NCC#CCOc1cccc2ccccc12 O=C1CCCC(=O)N1[*:1] O=S(=O)(CC[*:1])NCC#CCOc1cccc2ccccc12
O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1cc(Br)ccc1Cl Clc1ccc(Br)cc1[*:1] O=C(NCCc1nc(cc(n1)C(F)(F)F)C1CC1)[*:1]
O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1cc(Br)ccc1Cl FC(F)(F)[*:1] O=C(NCCc1nc(cc(n1)[*:1])C1CC1)c1cc(Br)ccc1Cl
O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1cc(Br)ccc1Cl C1CC1[*:1] O=C(NCCc1nc(cc(n1)[*:1])C(F)(F)F)c1cc(Br)ccc1Cl
CCCOc1cccc([C@@H]2C(N)=NC(=O)N2CC(C)C)c1 CC(C)[*:1] CCCOc1cccc(c1)[C@@H]1C(N)=NC(=O)N1C[*:1]
CCCOc1cccc([C@@H]2C(N)=NC(=O)N2CC(C)C)c1 CC(C)C[*:1] CCCOc1cccc(c1)[C@@H]1C(N)=NC(=O)N1[*:1]
CCCOc1cccc([C@@H]2C(N)=NC(=O)N2CC(C)C)c1 CCCO[*:1] CC(C)CN1C(=O)N=C(N)[C@H]1c1cccc(c1)[*:1]
CCCOc1cccc([C@@H]2C(N)=NC(=O)N2CC(C)C)c1 CCC[*:1] CC(C)CN1C(=O)N=C(N)[C@H]1c1cccc(c1)O[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CCC(=O)O2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N(C[*:1])C(=O)[C@@H]1CCC(=O)O1
Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CCC(=O)O2)cc1 Cc1ccc(cc1)[*:1] O=C1CC[C@H](O1)C(=O)N(Cc1ccco1)[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CCC(=O)O2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)N(C(=O)[C@@H]1CCC(=O)O1)[*:1]
O=[S@](Cc1nnc(-c2cccc(F)c2)o1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=[S@](Cc1nnc(o1)-c1cccc(F)c1)[*:1]
O=[S@](Cc1nnc(-c2cccc(F)c2)o1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=[S@](Cc1nnc(o1)[*:1])c1cccc(F)c1
COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CC3)C2)c(OC)c1 C1CC1[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC1(C)CCSC[C@@H]1Nc1ccccc1OC(F)F FC(F)O[*:1] CC1(C)CCSC[C@@H]1Nc1ccccc1[*:1]
CC1(C)CCSC[C@@H]1Nc1ccccc1OC(F)F FC(F)[*:1] CC1(C)CCSC[C@@H]1Nc1ccccc1O[*:1]
COc1ccc(CCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)CC[*:1])c1ccc(cc1)-n1ccnc1
COc1ccc(CCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 c1cn(cn1)[*:1] COc1ccc(cc1)CCC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
COCC[C@@H](C)C(=O)N(Cc1ccco1)c1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)N(Cc1ccco1)C(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)N(Cc1ccco1)c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)N(Cc1ccco1)C(=O)[C@H](C)C[*:1]
COCC[C@@H](C)C(=O)N(Cc1ccco1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCC[C@@H](C)C(=O)N(Cc1ccco1)[*:1]
COCC[C@@H](C)C(=O)N(Cc1ccco1)c1ccc(C)cc1 c1coc(c1)C[*:1] COCC[C@@H](C)C(=O)N(c1ccc(C)cc1)[*:1]
COCC[C@@H](C)C(=O)N(Cc1ccco1)c1ccc(C)cc1 c1coc(c1)[*:1] COCC[C@@H](C)C(=O)N(C[*:1])c1ccc(C)cc1
CCCN(CCC)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 O=C([O-])[*:1] CCCN(CCC)c1cc(cc(c1)[*:1])C(F)(F)F
CCCN(CCC)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 CCC[*:1] CCCN(c1cc(cc(c1)C(F)(F)F)C(=O)[O-])[*:1]
CCCN(CCC)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 FC(F)(F)[*:1] CCCN(CCC)c1cc(cc(c1)[*:1])C(=O)[O-]
COc1cc(S(=O)(=O)N2CCCCCC2)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])S(=O)(=O)N1CCCCCC1
Nc1c(C(=O)NCCc2ccccc2)nnn1-c1ccc(F)cc1 c1ccc(cc1)CC[*:1] Nc1c(nnn1-c1ccc(F)cc1)C(=O)N[*:1]
Nc1c(C(=O)NCCc2ccccc2)nnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Nc1c(nnn1[*:1])C(=O)NCCc1ccccc1
Nc1c(C(=O)NCCc2ccccc2)nnn1-c1ccc(F)cc1 c1ccc(cc1)C[*:1] Nc1c(nnn1-c1ccc(F)cc1)C(=O)NC[*:1]
Nc1c(C(=O)NCCc2ccccc2)nnn1-c1ccc(F)cc1 c1ccc(cc1)[*:1] Nc1c(nnn1-c1ccc(F)cc1)C(=O)NCC[*:1]
O=C(NCCOC[C@H]1CCCO1)NC1(c2ccc(F)cc2F)CCCC1 C1CO[C@H](C1)[*:1] O=C(NCCOC[*:1])NC1(CCCC1)c1ccc(F)cc1F
O=C(NCCOC[C@H]1CCCO1)NC1(c2ccc(F)cc2F)CCCC1 C1CO[C@H](C1)C[*:1] O=C(NCCO[*:1])NC1(CCCC1)c1ccc(F)cc1F
O=C(NCCOC[C@H]1CCCO1)NC1(c2ccc(F)cc2F)CCCC1 C1CO[C@H](C1)CO[*:1] O=C(NCC[*:1])NC1(CCCC1)c1ccc(F)cc1F
O=C(NCCOC[C@H]1CCCO1)NC1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] O=C(NCCOC[C@H]1CCCO1)NC1(CCCC1)[*:1]
O=C(NCCOC[C@H]1CCCO1)NC1(c2ccc(F)cc2F)CCCC1 C1CO[C@H](C1)COC[*:1] O=C(NC[*:1])NC1(CCCC1)c1ccc(F)cc1F
COC(=O)c1cc(C)ccc1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] COC(=O)c1cc(C)ccc1NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
COC(=O)c1cc(C)ccc1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 COC(=O)[*:1] Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C2)CC(F)(F)F)c(c1)[*:1]
COC(=O)c1cc(C)ccc1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] COC(=O)c1cc(C)ccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC[C@@H](C)NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] CC[C@@H](C)NC(=O)Nc1cccc(c1)O[*:1]
CC[C@@H](C)NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CC[C@@H](C)NC(=O)Nc1cccc(c1)OC[*:1]
CC[C@@H](C)NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 CC[C@@H](C)[*:1] O=C(Nc1cccc(c1)OC[C@H]1CCCO1)N[*:1]
CC[C@@H](C)NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)CO[*:1] CC[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
Cc1c(C(=O)NOCC(N)=O)cnn1Cc1ccccc1 NC(=O)C[*:1] Cc1c(cnn1Cc1ccccc1)C(=O)NO[*:1]
Cc1c(C(=O)NOCC(N)=O)cnn1Cc1ccccc1 NC(=O)[*:1] Cc1c(cnn1Cc1ccccc1)C(=O)NOC[*:1]
Cc1c(C(=O)NOCC(N)=O)cnn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1c(cnn1[*:1])C(=O)NOCC(N)=O
Cc1c(C(=O)NOCC(N)=O)cnn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1C[*:1])C(=O)NOCC(N)=O
CNC(=O)c1ccc(NC(=O)[C@H](C)c2cccs2)cc1Cl c1csc(c1)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)[C@H](C)[*:1]
CNC(=O)c1ccc(NC(=O)[C@H](C)c2cccs2)cc1Cl C[C@H](c1cccs1)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)[*:1]
CNC(=O)c1ccc(NC(=O)[C@H](C)c2cccs2)cc1Cl CNC(=O)[*:1] C[C@@H](C(=O)Nc1ccc(c(Cl)c1)[*:1])c1cccs1
Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])[C@H](C#N)C(=O)[C@H]1CCC[C@@H](C1)C(F)(F)F
Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] Cn1c(nnc1[C@H](C#N)C(=O)[C@H]1CCC[C@H](C1)[*:1])-c1ccccc1
CC(C)(C)c1csc([C@@H]2CN(Cc3c(F)cccc3F)CCO2)n1 Fc1cccc(F)c1[*:1] CC(C)(C)c1csc(n1)[C@@H]1CN(CCO1)C[*:1]
CC(C)(C)c1csc([C@@H]2CN(Cc3c(F)cccc3F)CCO2)n1 CC(C)(C)[*:1] Fc1cccc(F)c1CN1CCO[C@@H](C1)c1nc(cs1)[*:1]
C1=NN(Cc2ccccc2)[C@@H]2N[C@@H](c3ccccc3OCCN3CCOCC3)N=C12 c1ccc(cc1)C[*:1] C1=NN([C@@H]2N[C@H](N=C12)c1ccccc1OCCN1CCOCC1)[*:1]
C1=NN(Cc2ccccc2)[C@@H]2N[C@@H](c3ccccc3OCCN3CCOCC3)N=C12 C1CN(CCO1)CCO[*:1] C1=NN(Cc2ccccc2)[C@@H]2N[C@H](N=C12)c1ccccc1[*:1]
C1=NN(Cc2ccccc2)[C@@H]2N[C@@H](c3ccccc3OCCN3CCOCC3)N=C12 C1CN(CCO1)CC[*:1] C1=NN(Cc2ccccc2)[C@@H]2N[C@H](N=C12)c1ccccc1O[*:1]
C1=NN(Cc2ccccc2)[C@@H]2N[C@@H](c3ccccc3OCCN3CCOCC3)N=C12 C1CN(CCO1)C[*:1] C1=NN(Cc2ccccc2)[C@@H]2N[C@H](N=C12)c1ccccc1OC[*:1]
C1=NN(Cc2ccccc2)[C@@H]2N[C@@H](c3ccccc3OCCN3CCOCC3)N=C12 c1ccc(cc1)[*:1] C1=NN(C[*:1])[C@@H]2N[C@H](N=C12)c1ccccc1OCCN1CCOCC1
C1=NN(Cc2ccccc2)[C@@H]2N[C@@H](c3ccccc3OCCN3CCOCC3)N=C12 C1CN(CCO1)[*:1] C1=NN(Cc2ccccc2)[C@@H]2N[C@H](N=C12)c1ccccc1OCC[*:1]
C#CC[C@H](OC(=O)c1csc(Br)c1)c1ccccn1 c1ccc(nc1)[*:1] C#CC[C@H](OC(=O)c1csc(Br)c1)[*:1]
C#CC[C@H](OC(=O)c1csc(Br)c1)c1ccccn1 Brc1cc(cs1)[*:1] C#CC[C@H](OC(=O)[*:1])c1ccccn1
C#CC[C@H](OC(=O)c1csc(Br)c1)c1ccccn1 C#CC[*:1] O=C(O[C@H](c1ccccn1)[*:1])c1csc(Br)c1
C[C@H]1CC[C@H](C)N1C(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] C[C@H]1CC[C@H](C)N1C(=O)c1ccnc(c1)O[*:1]
C[C@H]1CC[C@H](C)N1C(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] C[C@H]1CC[C@H](C)N1C(=O)c1ccnc(c1)[*:1]
Cc1nsc(C)c1NC(=O)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 C1CC1[*:1] Cc1nsc(C)c1NC(=O)c1cc(NC(=O)[*:1])n(n1)-c1ccccc1
Cc1nsc(C)c1NC(=O)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 Cc1nsc(C)c1[*:1] O=C(N[*:1])c1cc(NC(=O)C2CC2)n(n1)-c1ccccc1
Cc1nsc(C)c1NC(=O)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 O=C(N[*:1])C1CC1 Cc1nsc(C)c1NC(=O)c1cc(n(n1)-c1ccccc1)[*:1]
Cc1nsc(C)c1NC(=O)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nsc(C)c1NC(=O)c1cc(NC(=O)C2CC2)n(n1)[*:1]
O=C(Cn1cc(Cl)cn1)NCc1ccco1 c1coc(c1)[*:1] O=C(Cn1cc(Cl)cn1)NC[*:1]
CCCC1=C2[C@@H](N=N1)OC(N)=C(C#N)[C@H]2c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CCCC1N=N[C@H]2OC(N)=C(C#N)[C@H](C=12)c1ccc(cc1)[*:1]
CCCC1=C2[C@@H](N=N1)OC(N)=C(C#N)[C@H]2c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CCCC1N=N[C@H]2OC(N)=C(C#N)[C@H](C=12)c1ccc(cc1)O[*:1]
CCCC1=C2[C@@H](N=N1)OC(N)=C(C#N)[C@H]2c1ccc(OC(F)(F)F)cc1 CCC[*:1] N#CC1=C(N)O[C@@H]2N=NC(=C2[C@@H]1c1ccc(cc1)OC(F)(F)F)[*:1]
O=C(c1cnn(-c2ccccc2)n1)N1CCN(C[C@H](O)C2CC2)CC1 c1ccc(cc1)[*:1] O=C(c1cnn(n1)[*:1])N1CCN(CC1)C[C@H](O)C1CC1
O=C(c1cnn(-c2ccccc2)n1)N1CCN(C[C@H](O)C2CC2)CC1 O[C@@H](C[*:1])C1CC1 O=C(c1cnn(n1)-c1ccccc1)N1CCN(CC1)[*:1]
O=C(c1cnn(-c2ccccc2)n1)N1CCN(C[C@H](O)C2CC2)CC1 C1CC1[*:1] O=C(c1cnn(n1)-c1ccccc1)N1CCN(CC1)C[C@H](O)[*:1]
Cc1noc(C[NH2+][C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)n1 Cc1noc(n1)[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)[NH2+]C[*:1]
COCCC1(CNC(=O)[C@H]2CCO[C@@H]2C)CCC1 COC[*:1] C[C@H]1OCC[C@@H]1C(=O)NCC1(CCC1)C[*:1]
COCCC1(CNC(=O)[C@H]2CCO[C@@H]2C)CCC1 COCC[*:1] C[C@H]1OCC[C@@H]1C(=O)NCC1(CCC1)[*:1]
CCN1C(=O)[C@](C)(C(=O)Nc2c(C)nn(C)c2C(=O)OC)Sc2ccccc21 COC(=O)[*:1] CCN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)Nc1c(C)nn(C)c1[*:1]
CCc1ccc(CCNC(=O)N2CCC[NH+](C(C)C)CC2)cc1 CC(C)[*:1] CCc1ccc(cc1)CCNC(=O)N1CCC[NH+](CC1)[*:1]
CCS(=O)(=O)CC(=O)N[C@@H](C)c1ccccc1Br CCS(=O)(=O)C[*:1] C[C@H](NC(=O)[*:1])c1ccccc1Br
CCS(=O)(=O)CC(=O)N[C@@H](C)c1ccccc1Br CCS(=O)(=O)[*:1] C[C@H](NC(=O)C[*:1])c1ccccc1Br
CC(=O)c1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)C(C)(C)NC(=O)OC(C)(C)C
CC(=O)c1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc1C CC(C)(C)[*:1] CC(=O)c1ccc(cc1C)NC(=O)C(C)(C)NC(=O)O[*:1]
CC(=O)c1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc1C CC(C)(C)OC(=O)N[*:1] CC(=O)c1ccc(cc1C)NC(=O)C(C)(C)[*:1]
CCOc1cc(C(=O)N[C@@H](CO)CC(C)(C)C)ccn1 CC(C)(C)C[*:1] CCOc1cc(ccn1)C(=O)N[C@@H](CO)[*:1]
CCOc1cc(C(=O)N[C@@H](CO)CC(C)(C)C)ccn1 CCO[*:1] CC(C)(C)C[C@H](CO)NC(=O)c1ccnc(c1)[*:1]
CCOc1cc(C(=O)N[C@@H](CO)CC(C)(C)C)ccn1 CC(C)(C)[*:1] CCOc1cc(ccn1)C(=O)N[C@@H](CO)C[*:1]
COc1ccc(CCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])Nc1cccc(C#Cc2ccccn2)c1
COc1ccc(CCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 C(#C[*:1])c1ccccn1 COc1ccc(cc1)CCC(=O)Nc1cccc(c1)[*:1]
COc1ccc(CCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)CCC(=O)Nc1cccc(C#C[*:1])c1
COc1ccc(CCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 COc1ccc(cc1)C[*:1] O=C(C[*:1])Nc1cccc(C#Cc2ccccn2)c1
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N(CCCN1CCOCC1)c1ccccc1 C1CN(CCO1)CC[*:1] O=C(c1ccc(cc1)N1CCCS1(=O)=O)N(C[*:1])c1ccccc1
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N(CCCN1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)N1CCCS1(=O)=O)N(CCCN1CCOCC1)[*:1]
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N(CCCN1CCOCC1)c1ccccc1 C(CN1CCOCC1)C[*:1] O=C(c1ccc(cc1)N1CCCS1(=O)=O)N(c1ccccc1)[*:1]
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N(CCCN1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] O=C(c1ccc(cc1)N1CCCS1(=O)=O)N(CCC[*:1])c1ccccc1
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N(CCCN1CCOCC1)c1ccccc1 O=S1(=O)CCCN1[*:1] O=C(c1ccc(cc1)[*:1])N(CCCN1CCOCC1)c1ccccc1
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N(CCCN1CCOCC1)c1ccccc1 C1CN(CCO1)C[*:1] O=C(c1ccc(cc1)N1CCCS1(=O)=O)N(CC[*:1])c1ccccc1
COC(=O)[C@@H](C)NCc1cc(C(N)=O)cs1 NC(=O)[*:1] COC(=O)[C@@H](C)NCc1cc(cs1)[*:1]
COC(=O)[C@@H](C)NCc1cc(C(N)=O)cs1 COC(=O)[*:1] C[C@@H](NCc1cc(cs1)C(N)=O)[*:1]
CCn1cc(Br)cc1C(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1 COC(=O)[*:1] CCn1cc(Br)cc1C(=O)N1C[C@H](C)[C@@H](C1)[*:1]
Cc1ccc([C@@H]2C[NH2+]CC[C@@H]2c2c(F)cccc2F)cc1 Cc1ccc(cc1)[*:1] Fc1cccc(F)c1[C@H]1CC[NH2+]C[C@H]1[*:1]
O=C(CNC(=O)c1ccoc1)NCc1cccc(CN2CCCC2=O)c1 c1cc(co1)[*:1] O=C(CNC(=O)[*:1])NCc1cccc(c1)CN1CCCC1=O
O=C(CNC(=O)c1ccoc1)NCc1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] O=C(CNC(=O)c1ccoc1)NCc1cccc(c1)[*:1]
O=C(CNC(=O)c1ccoc1)NCc1cccc(CN2CCCC2=O)c1 O=C(N[*:1])c1ccoc1 O=C(C[*:1])NCc1cccc(c1)CN1CCCC1=O
O=C(CNC(=O)c1ccoc1)NCc1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(CNC(=O)c1ccoc1)NCc1cccc(c1)C[*:1]
COCCCN1CC2(CCN(C(=O)CCn3nnnc3C)CC2)CC1=O COCC[*:1] Cc1nnnn1CCC(=O)N1CCC2(CC1)CC(=O)N(C2)C[*:1]
COCCCN1CC2(CCN(C(=O)CCn3nnnc3C)CC2)CC1=O COCCC[*:1] Cc1nnnn1CCC(=O)N1CCC2(CC1)CC(=O)N(C2)[*:1]
COCCCN1CC2(CCN(C(=O)CCn3nnnc3C)CC2)CC1=O Cc1nnnn1[*:1] COCCCN1CC2(CCN(CC2)C(=O)CC[*:1])CC1=O
COCCCN1CC2(CCN(C(=O)CCn3nnnc3C)CC2)CC1=O Cc1nnnn1CC[*:1] COCCCN1CC2(CCN(CC2)C(=O)[*:1])CC1=O
COCCCN1CC2(CCN(C(=O)CCn3nnnc3C)CC2)CC1=O Cc1nnnn1C[*:1] COCCCN1CC2(CCN(CC2)C(=O)C[*:1])CC1=O
COCCCN1CC2(CCN(C(=O)CCn3nnnc3C)CC2)CC1=O COC[*:1] Cc1nnnn1CCC(=O)N1CCC2(CC1)CC(=O)N(CC[*:1])C2
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCOCC(=O)[O-] O=C([O-])COCC[*:1] Cc1ccc(cc1C(=O)N[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCOCC(=O)[O-] O=C([O-])CO[*:1] Cc1ccc(cc1C(=O)NCC[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCOCC(=O)[O-] CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)NCCOCC(=O)[O-])[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCOCC(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1C(=O)NCCOC[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCOCC(=O)[O-] O=C([O-])C[*:1] Cc1ccc(cc1C(=O)NCCO[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCOCC(=O)[O-] O=C([O-])COC[*:1] Cc1ccc(cc1C(=O)NC[*:1])S(C)(=O)=O
C[C@H](NC(=O)CCCn1ccnn1)c1ccc(-c2ccc(F)cc2)cc1 c1cn(CC[*:1])nn1 C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@H](NC(=O)CCCn1ccnn1)c1ccc(-c2ccc(F)cc2)cc1 c1cn(C[*:1])nn1 C[C@H](NC(=O)CC[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@H](NC(=O)CCCn1ccnn1)c1ccc(-c2ccc(F)cc2)cc1 c1cn(CCC[*:1])nn1 C[C@H](NC(=O)[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@H](NC(=O)CCCn1ccnn1)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CCCn1ccnn1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CCCn1ccnn1)c1ccc(-c2ccc(F)cc2)cc1 c1cn(nn1)[*:1] C[C@H](NC(=O)CCC[*:1])c1ccc(cc1)-c1ccc(F)cc1
CCCN1CCN(C(=O)C2CCC2)[C@H](Cc2ccccc2-c2ccncc2)C1=O CCC[*:1] O=C(C1CCC1)N1CCN(C(=O)[C@H]1Cc1ccccc1-c1ccncc1)[*:1]
CCCN1CCN(C(=O)C2CCC2)[C@H](Cc2ccccc2-c2ccncc2)C1=O C1CC(C1)[*:1] CCCN1CCN(C(=O)[*:1])[C@H](Cc2ccccc2-c2ccncc2)C1=O
CCCN1CCN(C(=O)C2CCC2)[C@H](Cc2ccccc2-c2ccncc2)C1=O c1cc(ccn1)[*:1] CCCN1CCN(C(=O)C2CCC2)[C@H](Cc2ccccc2[*:1])C1=O
CCN1CC[NH+](C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)CC1 C[C@H](c1ccccc1)[*:1] CCN1CC[NH+](CC1)C1CCN(CC1)c1ccc(cc1)C(=O)N[*:1]
CCN1CC[NH+](C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)CC1 c1ccc(cc1)[*:1] CCN1CC[NH+](CC1)C1CCN(CC1)c1ccc(cc1)C(=O)N[C@H](C)[*:1]
CCC[NH2+][C@@]1(CO)CC[C@H](Sc2ccc(C)cc2C)C1 CCC[*:1] Cc1ccc(S[C@H]2CC[C@@](CO)(C2)[NH2+][*:1])c(C)c1
CC(C)C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)[*:1]
CC(C)C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(Cn1cnc2ccccc2c1=O)N[C@@H](C[*:1])c1nc2ccccc2[nH]1
CC(C)C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 CC(C)C[*:1] O=C(Cn1cnc2ccccc2c1=O)N[C@H](c1nc2ccccc2[nH]1)[*:1]
O=C(CC[C@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1)NCc1ccccc1Cl O=c1[nH]cc([nH]1)[*:1] O=C(CC[C@H]1CCCN(C1)C(=O)[*:1])NCc1ccccc1Cl
O=C(CC[C@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CC[C@H]1CCCN(C1)C(=O)c1c[nH]c(=O)[nH]1)NC[*:1]
O=C(CC[C@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CC[C@H]1CCCN(C1)C(=O)c1c[nH]c(=O)[nH]1)N[*:1]
CC(C)c1ccc(CS(=O)(=O)[C@@H](C)c2nc(C(C)(C)C)no2)cc1 CC(C)[*:1] C[C@@H](c1nc(no1)C(C)(C)C)S(=O)(=O)Cc1ccc(cc1)[*:1]
CC(C)c1ccc(CS(=O)(=O)[C@@H](C)c2nc(C(C)(C)C)no2)cc1 CC(C)(C)[*:1] CC(C)c1ccc(cc1)CS(=O)(=O)[C@@H](C)c1nc(no1)[*:1]
C[C@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 C1CCN(CC1)[*:1] C[C@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccco1)[*:1]
C[C@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 c1coc(c1)[*:1] C[C@H]1CCC[C@@H]1[NH2+]C[C@@H](N1CCCCC1)[*:1]
C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cncc(F)c1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]CCNS(=O)(=O)[*:1])c1cncc(F)c1
C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cncc(F)c1 Fc1cncc(c1)[*:1] C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)[*:1]
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccco1 c1ccc(cc1)[*:1] O=C(N/N=C/c1cn(C[*:1])c2ccccc12)c1ccco1
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccco1 c1ccc(cc1)C[*:1] O=C(N/N=C/c1cn(c2ccccc12)[*:1])c1ccco1
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccco1 c1coc(c1)[*:1] O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)[*:1]
C[C@H](CCc1ccco1)[NH2+]Cc1cc(C(N)=O)cs1 NC(=O)[*:1] C[C@H](CCc1ccco1)[NH2+]Cc1cc(cs1)[*:1]
C[C@H](CCc1ccco1)[NH2+]Cc1cc(C(N)=O)cs1 c1coc(c1)[*:1] C[C@H](CC[*:1])[NH2+]Cc1cc(cs1)C(N)=O
C[C@H](CCc1ccco1)[NH2+]Cc1cc(C(N)=O)cs1 c1coc(c1)C[*:1] C[C@H](C[*:1])[NH2+]Cc1cc(cs1)C(N)=O
Cc1c(C(=O)c2oc3ccc(F)cc3c2C)c([O-])n(C2CCCC2)c(=O)c1C#N C1CCC(C1)[*:1] Cc1c(C(=O)c2oc3ccc(F)cc3c2C)c([O-])n(c(=O)c1C#N)[*:1]
COC(=O)[C@@H](C)[C@H](C)Sc1ccc(N)c(F)c1 COC(=O)[*:1] C[C@H](Sc1ccc(N)c(F)c1)[C@H](C)[*:1]
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)c1nc([O-])c2ccccc2n1 CC(C)[*:1] C[C@H]1C[C@H]1CN(C(=O)c1nc([O-])c2ccccc2n1)[*:1]
O=S(=O)(NCc1cccc(OCC(F)F)n1)c1ccc(Cl)nc1 FC(F)C[*:1] O=S(=O)(NCc1cccc(n1)O[*:1])c1ccc(Cl)nc1
O=S(=O)(NCc1cccc(OCC(F)F)n1)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=S(=O)(NCc1cccc(n1)OCC(F)F)[*:1]
O=S(=O)(NCc1cccc(OCC(F)F)n1)c1ccc(Cl)nc1 FC(F)CO[*:1] O=S(=O)(NCc1cccc(n1)[*:1])c1ccc(Cl)nc1
O=S(=O)(NCc1cccc(OCC(F)F)n1)c1ccc(Cl)nc1 FC(F)[*:1] O=S(=O)(NCc1cccc(n1)OC[*:1])c1ccc(Cl)nc1
Cn1c(=O)c2ccc(C(=O)N[C@H]3CCCN(c4ncccn4)C3)nc2n(C)c1=O c1cnc(nc1)[*:1] Cn1c(=O)c2ccc(nc2n(C)c1=O)C(=O)N[C@H]1CCCN(C1)[*:1]
COc1ccccc1CN(Cc1cccs1)C(=O)[C@H]1CCCO1 c1csc(c1)C[*:1] COc1ccccc1CN(C(=O)[C@H]1CCCO1)[*:1]
COc1ccccc1CN(Cc1cccs1)C(=O)[C@H]1CCCO1 c1csc(c1)[*:1] COc1ccccc1CN(C[*:1])C(=O)[C@H]1CCCO1
O=C(CN1CCCOC1=O)NCc1nn(-c2ccccc2)c2c1CCC2 O=C1OCCCN1[*:1] O=C(C[*:1])NCc1nn(-c2ccccc2)c2CCCc12
O=C(CN1CCCOC1=O)NCc1nn(-c2ccccc2)c2c1CCC2 O=C1OCCCN1C[*:1] O=C(NCc1nn(-c2ccccc2)c2CCCc12)[*:1]
O=C(CN1CCCOC1=O)NCc1nn(-c2ccccc2)c2c1CCC2 c1ccc(cc1)[*:1] O=C(CN1CCCOC1=O)NCc1nn(c2CCCc12)[*:1]
CC[C@@H](C)n1c(Cc2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CC[C@@H](C)n1c(C[*:1])nc2ccccc21
CC[C@@H](C)n1c(Cc2ccccc2)nc2ccccc21 CC[C@@H](C)[*:1] c1ccc(cc1)Cc1nc2ccccc2n1[*:1]
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2C[C@@H]2C)c1 CCN(CC)S(=O)(=O)[*:1] C[C@H]1C[C@H]1C(=O)Nc1cc(ccc1N1CCCC1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2C[C@@H]2C)c1 C1CCN(C1)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)[C@@H]1C[C@@H]1C)[*:1]
O=C(COc1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1 Fc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC(CC1)c1nc2ccccc2o1
O=C(COc1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1 Fc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC(CC1)c1nc2ccccc2o1
C[C@@H]1CCc2c(sc(NC(=O)Nc3cccc(Cl)c3)c2C(N)=O)C1 Clc1cccc(c1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)N[*:1])c2C(N)=O
C[C@@H]1CCc2c(sc(NC(=O)Nc3cccc(Cl)c3)c2C(N)=O)C1 NC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)Nc1cccc(Cl)c1)c2[*:1]
C/C(=N\NC(=O)COc1ccc(Br)cc1C#N)c1ccc(Br)s1 Brc1ccc(s1)[*:1] CC(=NNC(=O)COc1ccc(Br)cc1C#N)[*:1]
O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N[C@H]1CCS(=O)(=O)C1 O=S(=O)(N1CCCCC1)[*:1] O=C(COC(=O)c1ccc(Cl)c(c1)[*:1])N[C@H]1CCS(=O)(=O)C1
C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccnc1Cl c1cnnc(c1)[*:1] C[C@H]([NH2+][C@H]1CCCN(C1)[*:1])c1cccnc1Cl
C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccnc1Cl Clc1ncccc1[*:1] C[C@H]([NH2+][C@H]1CCCN(C1)c1cccnn1)[*:1]
CC1([C@@](C)(NCc2cccs2)C(N)=O)CC1 NC(=O)[*:1] CC1(CC1)[C@@](C)(NCc1cccs1)[*:1]
CC1([C@@](C)(NCc2cccs2)C(N)=O)CC1 c1csc(c1)[*:1] CC1(CC1)[C@@](C)(NC[*:1])C(N)=O
CC1([C@@](C)(NCc2cccs2)C(N)=O)CC1 CC1(CC1)[*:1] C[C@@](NCc1cccs1)(C(N)=O)[*:1]
Cc1cc(C)n(-c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2C)n1 Cc1cc(C)n(n1)[*:1] CC(C)CCn1c(=O)c2c(nc(n2C)[*:1])n(C)c1=O
Cc1cc(C)n(-c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2C)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1nc2c(c(=O)n(CC[*:1])c(=O)n2C)n1C
Cc1cc(C)n(-c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2C)n1 CC(C)CC[*:1] Cc1cc(C)n(n1)-c1nc2c(c(=O)n(c(=O)n2C)[*:1])n1C
Cc1cc(C)n(-c2nc3c(c(=O)n(CCC(C)C)c(=O)n3C)n2C)n1 CC(C)C[*:1] Cc1cc(C)n(n1)-c1nc2c(c(=O)n(C[*:1])c(=O)n2C)n1C
COC1CCN(c2ccc(N)c(OCC3CC3)n2)CC1 C1CC1[*:1] COC1CCN(CC1)c1ccc(N)c(n1)OC[*:1]
COC1CCN(c2ccc(N)c(OCC3CC3)n2)CC1 C1CC1C[*:1] COC1CCN(CC1)c1ccc(N)c(n1)O[*:1]
COC1CCN(c2ccc(N)c(OCC3CC3)n2)CC1 C1CC1CO[*:1] COC1CCN(CC1)c1ccc(N)c(n1)[*:1]
COC(=O)c1ccc(Oc2cccc(OC)c2)cc1 COC(=O)[*:1] COc1cccc(c1)Oc1ccc(cc1)[*:1]
CCc1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1 NC(=O)[*:1] CCc1ccc(cc1)CCC(=O)N1CCC(CC1)[*:1]
Cc1ccccc1NC(=O)Cn1ccc2ccccc2c1=O Cc1ccccc1[*:1] O=C(Cn1ccc2ccccc2c1=O)N[*:1]
N[C@@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(F)(F)F N[C@@H](C(F)(F)F)[*:1] O=c1[nH]c2ccc(cc2[nH]c1=O)[*:1]
N[C@@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(F)(F)F FC(F)(F)[*:1] N[C@@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[*:1]
CN(CCOCC1CC1)C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 C1CC1CO[*:1] CN(CC[*:1])C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1
CN(CCOCC1CC1)C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 C1CC1[*:1] CN(CCOC[*:1])C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1
CN(CCOCC1CC1)C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 C1CC1C[*:1] CN(CCO[*:1])C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1
CN(CCOCC1CC1)C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 C1CC1COC[*:1] CN(C[*:1])C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1
CC[C@H](CC1CC1)NC(=O)c1csc(/C=C/C(=O)[O-])c1 C1CC1C[*:1] CC[C@H](NC(=O)c1csc(/C=C/C(=O)[O-])c1)[*:1]
CC[C@H](CC1CC1)NC(=O)c1csc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] CC[C@H](CC1CC1)NC(=O)c1csc(C=C[*:1])c1
CC[C@H](CC1CC1)NC(=O)c1csc(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] CC[C@H](CC1CC1)NC(=O)c1csc(c1)[*:1]
CC[C@H](CC1CC1)NC(=O)c1csc(/C=C/C(=O)[O-])c1 C1CC1[*:1] CC[C@H](C[*:1])NC(=O)c1csc(/C=C/C(=O)[O-])c1
CN(C)C(=O)c1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 c1ccc(nc1)[*:1] CN(C)C(=O)c1cccc(c1)C(=O)N[C@@H](c1ccccc1)[*:1]
CN(C)C(=O)c1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1cccc(c1)C(=O)N[C@@H](c1ccccn1)[*:1]
CN(C)C(=O)c1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 CN(C)C(=O)[*:1] O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc(c1)[*:1]
CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)c2ccccc2)C3=O)c1C CCOC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)c1ccccc1
CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)c2ccccc2)C3=O)c1C c1ccc(cc1)[*:1] CCOC(=O)c1cccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)[C@@H](C)[*:1])c1C
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@H](C1)C(=O)N(CC[NH+](C)C)C[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)C2)c1 Cc1cc(C)cc(c1)[*:1] C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)C2)c1 Fc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@H](C1)C(=O)N(CC[NH+](C)C)[*:1]
COc1ccc(CNc2ccccc2C(=O)NC2CC2)c(Cl)c1 C1CC1[*:1] COc1ccc(CNc2ccccc2C(=O)N[*:1])c(Cl)c1
COc1ccc(CNc2ccccc2C(=O)NC2CC2)c(Cl)c1 O=C(NC1CC1)[*:1] COc1ccc(CNc2ccccc2[*:1])c(Cl)c1
NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(Cl)c(N)c1 NC(=O)[*:1] Nc1cc(ccc1Cl)C(=O)OCC(=O)Nc1sccc1[*:1]
COC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)CC(C)(C)C CC(C)(C)[*:1] COC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C[*:1]
COC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)CC(C)(C)C CC(C)(C)C[*:1] COC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)[*:1]
CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)ccc1O CC[C@@H](C)[*:1] Cc1ccc(O)c(c1)NC(=O)[C@H]([NH3+])[*:1]
CNC(=O)c1ccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 CNC(=O)[*:1] O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccc(cc1)[*:1]
O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCCC2)cc1 O=C1CCS(=O)(=O)N1[*:1] O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCCCC1)c1ccc(cc1)[*:1]
O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCCC2)cc1 c1coc(c1)[*:1] O=C1CCS(=O)(=O)N1c1ccc(cc1)S(=O)(=O)NC[C@H]([NH+]1CCCCCC1)[*:1]
Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2Cl)o1 Clc1ccccc1[*:1] Cc1ccc(o1)C(=O)NNC(=O)CNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2Cl)o1 Cc1ccc(o1)[*:1] O=C(CNC(=O)c1ccccc1Cl)NNC(=O)[*:1]
CC(C)C[C@@H](C)NC(=O)c1scnc1C1CC1 C1CC1[*:1] CC(C)C[C@@H](C)NC(=O)c1scnc1[*:1]
CC(C)C[C@@H](C)NC(=O)c1scnc1C1CC1 CC(C)C[*:1] C[C@@H](NC(=O)c1scnc1C1CC1)[*:1]
CC(C)C[C@@H](C)NC(=O)c1scnc1C1CC1 CC(C)[*:1] C[C@H](C[*:1])NC(=O)c1scnc1C1CC1
Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1C[*:1] Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
O=C(NCc1noc(Cc2ccccc2)n1)c1ccccc1Br c1ccc(cc1)C[*:1] O=C(NCc1noc(n1)[*:1])c1ccccc1Br
O=C(NCc1noc(Cc2ccccc2)n1)c1ccccc1Br Brc1ccccc1[*:1] O=C(NCc1noc(Cc2ccccc2)n1)[*:1]
O=C(NCc1noc(Cc2ccccc2)n1)c1ccccc1Br c1ccc(cc1)[*:1] O=C(NCc1noc(C[*:1])n1)c1ccccc1Br
COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccc3ccccc3c21 COc1ccccc1[*:1] O=C1CCCC2Nc3ccc4ccccc4c3[C@H](C=21)[*:1]
C[C@@H](CO)NC(=O)NC[C@H](C)Oc1ccc(F)cc1 C[C@@H](CO)[*:1] C[C@@H](CNC(=O)N[*:1])Oc1ccc(F)cc1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccccc1C(=O)N1CCCCCC1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NC(=S)Nc1ccccc1C(=O)N1CCCCCC1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccccc1C(=O)N1CCCCCC1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C=C[*:1])NC(=S)Nc1ccccc1C(=O)N1CCCCCC1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccccc1C(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])NC(=S)Nc1ccccc1[*:1]
C[NH+](C)CCCNc1c(F)cc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] C[NH+](C)CCCNc1c(F)cc(cc1Br)[*:1]
COCc1ccc(CNC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 COCc1ccc(cc1)[*:1] Cc1cc(NC(=O)NC[*:1])n(Cc2ccccc2)n1
COCc1ccc(CNC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 COC[*:1] Cc1cc(NC(=O)NCc2ccc(cc2)[*:1])n(Cc2ccccc2)n1
COCc1ccc(CNC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] COCc1ccc(cc1)CNC(=O)Nc1cc(C)nn1[*:1]
COCc1ccc(CNC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COCc1ccc(cc1)CNC(=O)Nc1cc(C)nn1C[*:1]
CC(C)CN(C1CCCC1)S(=O)(=O)c1c[nH]c(CO)c1 CC(C)[*:1] O=S(=O)(c1c[nH]c(c1)CO)N(C[*:1])C1CCCC1
CC(C)CN(C1CCCC1)S(=O)(=O)c1c[nH]c(CO)c1 CC(C)C[*:1] O=S(=O)(c1c[nH]c(c1)CO)N(C1CCCC1)[*:1]
CC(C)CN(C1CCCC1)S(=O)(=O)c1c[nH]c(CO)c1 C1CCC(C1)[*:1] CC(C)CN(S(=O)(=O)c1c[nH]c(c1)CO)[*:1]
COc1ccc(/C=C/C(=O)N2CC[C@H](C(N)=O)c3ccccc32)c(OC)c1 NC(=O)[*:1] COc1ccc(/C=C/C(=O)N2CC[C@H](c3ccccc32)[*:1])c(c1)OC
CN(CCCc1ccccc1)C(=O)Nc1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] CN(CCCc1ccccc1)C(=O)Nc1cnn(c1)[*:1]
CN(CCCc1ccccc1)C(=O)Nc1cnn(-c2ccccc2F)c1 c1ccc(cc1)C[*:1] CN(CC[*:1])C(=O)Nc1cnn(c1)-c1ccccc1F
CN(CCCc1ccccc1)C(=O)Nc1cnn(-c2ccccc2F)c1 c1ccc(cc1)CC[*:1] CN(C[*:1])C(=O)Nc1cnn(c1)-c1ccccc1F
CN(CCCc1ccccc1)C(=O)Nc1cnn(-c2ccccc2F)c1 c1ccc(cc1)[*:1] CN(CCC[*:1])C(=O)Nc1cnn(c1)-c1ccccc1F
N/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] N/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)[*:1]
N/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl Clc1ccc(c(Cl)c1)[*:1] N/C(=N\OC(=O)CO[*:1])c1c(Cl)cccc1Cl
Cc1cc(C(=O)NCC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NCC(c1ccccc1)c1ccccc1
Cc1cc(C(=O)NCC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NCC(c1ccccc1)[*:1]
Nc1cnc(N(Cc2cccs2)C2CC2)c(Br)c1 c1csc(c1)[*:1] Nc1cnc(c(Br)c1)N(C[*:1])C1CC1
Nc1cnc(N(Cc2cccs2)C2CC2)c(Br)c1 c1csc(c1)C[*:1] Nc1cnc(c(Br)c1)N(C1CC1)[*:1]
Nc1cnc(N(Cc2cccs2)C2CC2)c(Br)c1 C1CC1[*:1] Nc1cnc(c(Br)c1)N(Cc1cccs1)[*:1]
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccco2)C3=O)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N([C@@H](c3ccc(cc3)[N+](=O)[O-])c12)[*:1]
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccco2)C3=O)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N(Cc3ccco3)[C@@H](c12)[*:1]
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccco2)C3=O)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N(Cc3ccco3)[C@@H](c3ccc(cc3)[*:1])c12
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccco2)C3=O)cc1 COc1ccc(cc1)[*:1] O=C1c2[nH]nc(c2[C@H](c2ccc(cc2)[N+](=O)[O-])N1Cc1ccco1)[*:1]
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccco2)C3=O)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N(C[*:1])[C@@H](c3ccc(cc3)[N+](=O)[O-])c12
O=C(Nc1ccc(Cl)cc1)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 c1cnn(c1)[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(Nc1ccc(Cl)cc1)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(c(c1)[N+](=O)[O-])-n1cccn1
O=C(Nc1ccc(Cl)cc1)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(c(c1)[*:1])-n1cccn1
COc1c(Br)cc(Br)cc1/C=N/n1c(-c2ccccc2)n[nH]c1=S c1ccc(cc1)[*:1] COc1c(Br)cc(Br)cc1/C=N/n1c(n[nH]c1=S)[*:1]
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1Nc1nccs1 C1CN(CCO1)[*:1] O=[N+]([O-])c1c(ncnc1Nc1nccs1)NCC[*:1]
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1Nc1nccs1 c1csc(n1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NCCN1CCOCC1
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1Nc1nccs1 C1CN(CCO1)CC[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1nccs1
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1Nc1nccs1 C1CN(CCO1)C[*:1] O=[N+]([O-])c1c(ncnc1Nc1nccs1)NC[*:1]
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1Nc1nccs1 O=[N+]([O-])[*:1] c1csc(n1)Nc1ncnc(NCCN2CCOCC2)c1[*:1]
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1Nc1nccs1 c1csc(n1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NCCN1CCOCC1
Cc1cc(NC(=O)N2CCSC(C)(C)C2)ccc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CCSC(C)(C)C1
Cc1cc(NC(=O)N2CCSC(C)(C)C2)ccc1C(=O)NC(C)C CC(C)[*:1] Cc1cc(ccc1C(=O)N[*:1])NC(=O)N1CCSC(C)(C)C1
CNC(=O)CC1CCN(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1 CNC(=O)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1 CNC(=O)C[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1 CC(C)(C)[*:1] CNC(=O)CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)[*:1]
NC(=O)COc1c(F)c(F)cc(F)c1F NC(=O)C[*:1] Fc1cc(F)c(F)c(O[*:1])c1F
NC(=O)COc1c(F)c(F)cc(F)c1F NC(=O)CO[*:1] Fc1cc(F)c(F)c(c1F)[*:1]
NC(=O)COc1c(F)c(F)cc(F)c1F NC(=O)[*:1] Fc1cc(F)c(F)c(OC[*:1])c1F
O=C(NCc1ccco1)N1CCC(n2cc(-c3ccccn3)nn2)CC1 c1coc(c1)C[*:1] O=C(N[*:1])N1CCC(CC1)n1cc(nn1)-c1ccccn1
O=C(NCc1ccco1)N1CCC(n2cc(-c3ccccn3)nn2)CC1 c1coc(c1)[*:1] O=C(NC[*:1])N1CCC(CC1)n1cc(nn1)-c1ccccn1
O=C(NCc1ccco1)N1CCC(n2cc(-c3ccccn3)nn2)CC1 c1ccc(nc1)[*:1] O=C(NCc1ccco1)N1CCC(CC1)n1cc(nn1)[*:1]
CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(OC)c4)CC3)C2=O)cc1 CCOC(=O)[*:1] COc1cccc(c1)N1CCN(CC1)[C@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(OC)c4)CC3)C2=O)cc1 COc1cccc(c1)[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)C[C@@H](C1=O)N1CCN(CC1)[*:1]
O=C1CCN(Cc2cnc(-c3ccsc3)s2)CCN1 c1cc(cs1)[*:1] O=C1CCN(CCN1)Cc1cnc(s1)[*:1]
Cc1nc(C(=O)Nc2ccc(F)cc2OCC2CC2)cs1 C1CC1C[*:1] Cc1nc(cs1)C(=O)Nc1ccc(F)cc1O[*:1]
Cc1nc(C(=O)Nc2ccc(F)cc2OCC2CC2)cs1 C1CC1[*:1] Cc1nc(cs1)C(=O)Nc1ccc(F)cc1OC[*:1]
Cc1nc(C(=O)Nc2ccc(F)cc2OCC2CC2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1ccc(F)cc1OCC1CC1)[*:1]
Cc1nc(C(=O)Nc2ccc(F)cc2OCC2CC2)cs1 C1CC1CO[*:1] Cc1nc(cs1)C(=O)Nc1ccc(F)cc1[*:1]
CCN(CCC#N)C(=O)Nc1cc(NC(C)=O)ccc1OC N#CCC[*:1] CCN(C(=O)Nc1cc(ccc1OC)NC(C)=O)[*:1]
CCN(CCC#N)C(=O)Nc1cc(NC(C)=O)ccc1OC N#CC[*:1] CCN(C[*:1])C(=O)Nc1cc(ccc1OC)NC(C)=O
CCN(CCC#N)C(=O)Nc1cc(NC(C)=O)ccc1OC CC(=O)N[*:1] CCN(CCC#N)C(=O)Nc1cc(ccc1OC)[*:1]
C[C@@H](Cn1cncn1)Nc1ccc(C(=O)Nc2ccccc2)nn1 c1ncn(n1)[*:1] C[C@@H](C[*:1])Nc1ccc(nn1)C(=O)Nc1ccccc1
C[C@@H](Cn1cncn1)Nc1ccc(C(=O)Nc2ccccc2)nn1 c1ccc(cc1)[*:1] C[C@@H](Cn1cncn1)Nc1ccc(nn1)C(=O)N[*:1]
C[C@@H](Cn1cncn1)Nc1ccc(C(=O)Nc2ccccc2)nn1 c1ncn(C[*:1])n1 C[C@@H](Nc1ccc(nn1)C(=O)Nc1ccccc1)[*:1]
CN1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 c1csc(c1)[*:1] CN1CCN(CC1)C(=O)c1cc(nc2ccccc12)[*:1]
COc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)nn1 c1ccc(cc1)[*:1] COc1ccc(nn1)C(=O)N[C@H](C(C)(C)C)[*:1]
COc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)nn1 CC(C)(C)[*:1] COc1ccc(nn1)C(=O)N[C@H](c1ccccc1)[*:1]
CC(C)NC(=O)C[C@H](Nc1ccc(Cl)cc1)C(N)=O NC(=O)[*:1] CC(C)NC(=O)C[C@H](Nc1ccc(Cl)cc1)[*:1]
CC(C)NC(=O)C[C@H](Nc1ccc(Cl)cc1)C(N)=O CC(C)[*:1] NC(=O)[C@H](CC(=O)N[*:1])Nc1ccc(Cl)cc1
CC(C)NC(=O)C[C@H](Nc1ccc(Cl)cc1)C(N)=O CC(C)NC(=O)[*:1] NC(=O)[C@H](C[*:1])Nc1ccc(Cl)cc1
O=C(CCn1cnc2ccccc21)N1CCC[C@H](n2cncn2)C1 c1ncn(n1)[*:1] O=C(CCn1cnc2ccccc21)N1CCC[C@H](C1)[*:1]
COC(=O)c1ccccc1NC(=O)C[C@@H]1Oc2ccc(C)cc2NC1=O COC(=O)[*:1] Cc1ccc2O[C@@H](CC(=O)Nc3ccccc3[*:1])C(=O)Nc2c1
Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)[*:1]
Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCCC2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc2cc(CN(C(=O)[*:1])C3CCCCC3)c(=O)[nH]c12
Cc1cc(F)ccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1cc(F)ccc1NC(=O)[C@H]1CC=CC[C@H]1[*:1]
CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 CC(C)OC(=O)[*:1] c1ccc(cc1)-c1nnc(SC[*:1])n1-c1ccccc1
CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)OC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 CC(C)[*:1] O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)O[*:1]
CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 CC(C)OC(=O)CS[*:1] c1ccc(cc1)-c1nnc(n1-c1ccccc1)[*:1]
CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 CC(C)OC(=O)C[*:1] c1ccc(cc1)-c1nnc(S[*:1])n1-c1ccccc1
CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1[*:1]
CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C)C[C@@H]2C)cc1 CCO[*:1] C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(cc2)[*:1])[C@@H](C)C1
Cc1ccc2c(C[NH+](C)CC(=O)Nc3ccccc3C(F)(F)F)cc(=O)oc2c1 FC(F)(F)[*:1] Cc1ccc2c(cc(=O)oc2c1)C[NH+](C)CC(=O)Nc1ccccc1[*:1]
Cc1nn(C)c(C)c1[C@H]1C(N)=NC(=O)N1CC1CC1 C1CC1C[*:1] Cc1nn(C)c(C)c1[C@H]1C(N)=NC(=O)N1[*:1]
Cc1nn(C)c(C)c1[C@H]1C(N)=NC(=O)N1CC1CC1 C1CC1[*:1] Cc1nn(C)c(C)c1[C@H]1C(N)=NC(=O)N1C[*:1]
CC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1Nc1ccc(C)cc1C Clc1cccc(c1)[*:1] CC1C(=NS(=O)(=O)C=1[*:1])Nc1ccc(C)cc1C
CC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1Nc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CC1C(=NS(=O)(=O)C=1c1cccc(Cl)c1)N[*:1]
O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2nc3cc(Cl)ccc3s2)CC1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])C1CCN(CC1)c1nc2cc(Cl)ccc2s1
Cc1ccc(C)c(NC(=O)C(=O)NC[C@@](O)(c2cccs2)C(F)(F)F)c1 Cc1ccc(C)c(c1)[*:1] O=C(NC[C@@](O)(c1cccs1)C(F)(F)F)C(=O)N[*:1]
Cc1ccc(C)c(NC(=O)C(=O)NC[C@@](O)(c2cccs2)C(F)(F)F)c1 c1csc(c1)[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)NC[C@@](O)(C(F)(F)F)[*:1]
Cc1ccc(C)c(NC(=O)C(=O)NC[C@@](O)(c2cccs2)C(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)NC[C@@](O)(c1cccs1)[*:1]
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc4c(c3)OCCO4)c2C(N)=O)C1 c1cc2OCCOc2cc1[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc4c(c3)OCCO4)c2C(N)=O)C1 NC(=O)[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)c1ccc3OCCOc3c1)c2[*:1]
CCCCc1noc([C@@H]2CC[NH2+][C@@H]2C)n1 CCC[*:1] C[C@H]1[NH2+]CC[C@H]1c1nc(C[*:1])no1
CCCCc1noc([C@@H]2CC[NH2+][C@@H]2C)n1 CCCC[*:1] C[C@H]1[NH2+]CC[C@H]1c1nc(no1)[*:1]
CCOc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccc(F)c3)cs2)cc1 Fc1cccc(c1)[*:1] CCOc1ccc(cc1)-c1nc(cs1)CC(=O)N[C@H](C)[*:1]
CCOc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccc(F)c3)cs2)cc1 CCOc1ccc(cc1)[*:1] C[C@@H](NC(=O)Cc1csc(n1)[*:1])c1cccc(F)c1
CCOc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccc(F)c3)cs2)cc1 C[C@H](c1cccc(F)c1)[*:1] CCOc1ccc(cc1)-c1nc(cs1)CC(=O)N[*:1]
CCOc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccc(F)c3)cs2)cc1 CCO[*:1] C[C@@H](NC(=O)Cc1csc(n1)-c1ccc(cc1)[*:1])c1cccc(F)c1
Cc1ccc(C(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NCCn1cnc(cc1=O)-c1ccc(F)cc1)[*:1]
Cc1ccc(C(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)NCCn1cnc(cc1=O)[*:1]
C[C@@H]1OCC[C@H]1[C@H](Br)Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]1OCC[C@H]1[C@H](Br)Cc1ccccc1[*:1]
CCCNc1ncc(CN(C)c2cccc(OC)c2)s1 CCC[*:1] COc1cccc(c1)N(C)Cc1cnc(N[*:1])s1
CCCNc1ncc(CN(C)c2cccc(OC)c2)s1 CCCN[*:1] COc1cccc(c1)N(C)Cc1cnc(s1)[*:1]
O=C(CCCC1CCCCC1)NC1CCN(C(=O)c2ccoc2)CC1 C1CCC(CC1)CC[*:1] O=C(C[*:1])NC1CCN(CC1)C(=O)c1ccoc1
O=C(CCCC1CCCCC1)NC1CCN(C(=O)c2ccoc2)CC1 C1CCC(CC1)[*:1] O=C(CCC[*:1])NC1CCN(CC1)C(=O)c1ccoc1
O=C(CCCC1CCCCC1)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] O=C(CCCC1CCCCC1)NC1CCN(CC1)C(=O)[*:1]
O=C(CCCC1CCCCC1)NC1CCN(C(=O)c2ccoc2)CC1 C1CCC(CC1)C[*:1] O=C(CC[*:1])NC1CCN(CC1)C(=O)c1ccoc1
CCC[C@@H](C)CC(=O)Nc1ccc(NC(C)=O)cc1Cl CCC[C@@H](C)C[*:1] CC(=O)Nc1ccc(NC(=O)[*:1])c(Cl)c1
CCC[C@@H](C)CC(=O)Nc1ccc(NC(C)=O)cc1Cl CC(=O)N[*:1] CCC[C@@H](C)CC(=O)Nc1ccc(cc1Cl)[*:1]
CCC[C@@H](C)CC(=O)Nc1ccc(NC(C)=O)cc1Cl CCC[*:1] CC(=O)Nc1ccc(NC(=O)C[C@H](C)[*:1])c(Cl)c1
CCC[C@@H](C)CC(=O)Nc1ccc(NC(C)=O)cc1Cl CCC[C@@H](C)[*:1] CC(=O)Nc1ccc(NC(=O)C[*:1])c(Cl)c1
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc(cc1)-c1cn2CCCCc2[nH+]1
C[S@@](=O)c1ccc(CNC[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1 C[S@@](=O)[*:1] O[C@H](CNCc1ccc(cc1)[*:1])c1cc(Cl)cc(Cl)c1
O=C(C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@@H]1c1cccc(F)c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1C(O)=C(C(=O)[*:1])[C@@H](c2cccc(F)c2)N1CC[NH+]1CCOCC1
O=C(C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@@H]1c1cccc(F)c1)c1ccc(Br)cc1 O=C(c1ccc(Br)cc1)[*:1] O=C1C(O)=C([C@@H](c2cccc(F)c2)N1CC[NH+]1CCOCC1)[*:1]
O=C(C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@@H]1c1cccc(F)c1)c1ccc(Br)cc1 Fc1cccc(c1)[*:1] O=C(C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@H]1[*:1])c1ccc(Br)cc1
CC[C@H](CSC)N(C)C(=O)c1cc(F)ccc1C CSC[*:1] CC[C@H](N(C)C(=O)c1cc(F)ccc1C)[*:1]
O=C(Cc1c(F)cccc1Cl)Nc1ccc(Cc2nnn[n-]2)cc1 Fc1cccc(Cl)c1[*:1] O=C(C[*:1])Nc1ccc(cc1)Cc1nnn[n-]1
Cn1nnnc1SCC(=O)Oc1ccc(F)cc1 Cn1nnnc1[*:1] O=C(CS[*:1])Oc1ccc(F)cc1
O=C(Nc1ccnc2c(F)cccc12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccnc2c(F)cccc12)[*:1]
CCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccsc2)cc1Cl CCC[*:1] O=C(NCc1ccsc1)C(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
CCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccsc2)cc1Cl CCCNC(=O)[*:1] O=C(NCc1ccsc1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccsc2)cc1Cl c1cc(cs1)[*:1] CCCNC(=O)c1ccc(cc1Cl)NC(=O)C(=O)NC[*:1]
CCCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccsc2)cc1Cl c1cc(cs1)C[*:1] CCCNC(=O)c1ccc(cc1Cl)NC(=O)C(=O)N[*:1]
COCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 COC[*:1] O=C(NC[*:1])c1ccc(NC2CC2)c(c1)[N+](=O)[O-]
COCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] COCCNC(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
COCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1N[*:1] COCCNC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
COCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 COCC[*:1] O=C(N[*:1])c1ccc(NC2CC2)c(c1)[N+](=O)[O-]
COCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COCCNC(=O)c1ccc(NC2CC2)c(c1)[*:1]
CCc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3COc4ccccc4O3)sc2c1 C1CO[C@@H](C1)C[*:1] CCc1ccc2nc(sc2c1)N(C(=O)[C@@H]1COc2ccccc2O1)[*:1]
CCc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3COc4ccccc4O3)sc2c1 C1CO[C@@H](C1)[*:1] CCc1ccc2nc(sc2c1)N(C[*:1])C(=O)[C@@H]1COc2ccccc2O1
CCc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3COc4ccccc4O3)sc2c1 c1ccc2O[C@@H](COc2c1)[*:1] CCc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)[*:1]
CCOC(=O)C1CCC([NH+]2CCC(C(=O)N(CC)CC)CC2)CC1 CCN(CC)C(=O)[*:1] CCOC(=O)C1CCC(CC1)[NH+]1CCC(CC1)[*:1]
CCOC(=O)C1CCC([NH+]2CCC(C(=O)N(CC)CC)CC2)CC1 CCOC(=O)[*:1] CCN(CC)C(=O)C1CC[NH+](CC1)C1CCC(CC1)[*:1]
CC(C)(CNC(=O)[C@H](C[NH3+])Cc1ccccc1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] [NH3+]C[C@H](Cc1ccccc1)C(=O)NC[*:1]
CC(C)(CNC(=O)[C@H](C[NH3+])Cc1ccccc1)S(C)(=O)=O c1ccc(cc1)C[*:1] CC(C)(CNC(=O)[C@H](C[NH3+])[*:1])S(C)(=O)=O
CC(C)(CNC(=O)[C@H](C[NH3+])Cc1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] CC(C)(CNC(=O)[C@H](C[NH3+])C[*:1])S(C)(=O)=O
CC(C)(CNC(=O)[C@H](C[NH3+])Cc1ccccc1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNC(=O)[C@H](C[NH3+])Cc1ccccc1)[*:1]
CC(C)c1ocnc1CSC(C)(C)C CC(C)(C)[*:1] CC(C)c1ocnc1CS[*:1]
CC(C)c1ocnc1CSC(C)(C)C CC(C)[*:1] CC(C)(C)SCc1ncoc1[*:1]
CC(C)(C)[C@H](NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NCC(=O)N1CCC(CC1)C(=O)N1CCCCCC1)[*:1]
CC(C)(C)[C@H](NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NCC(=O)N1CCC(CC1)C(=O)N1CCCCCC1)[*:1]
CC(C)(C)[C@H](NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(N)=O O=C(N1CCCCCC1)[*:1] CC(C)(C)[C@H](NCC(=O)N1CCC(CC1)[*:1])C(N)=O
O=C(C[C@H](O)c1cccc(F)c1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21
Cc1nc(Cl)sc1C(=O)NCCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1nc(Cl)sc1C(=O)NCCc1cccc(c1)[*:1]
Cc1nc(Cl)sc1C(=O)NCCc1cccc([N+](=O)[O-])c1 Cc1nc(Cl)sc1[*:1] O=C(NCCc1cccc(c1)[N+](=O)[O-])[*:1]
CC(C)Oc1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CC(C)Oc1ccc(cc1)C(=O)N1CCN=C1SCc1cccc(c1)[*:1]
CC(C)Oc1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)O[*:1])N1CCN=C1SCc1cccc(c1)[N+](=O)[O-]
CC(C)Oc1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1 CC(C)O[*:1] O=C(c1ccc(cc1)[*:1])N1CCN=C1SCc1cccc(c1)[N+](=O)[O-]
CC(C)Oc1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CC(C)Oc1ccc(cc1)C(=O)N1CCN=C1SC[*:1]
O=C(Nc1ccccc1OC(F)F)c1ccc(Cl)cc1 FC(F)O[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Cl)cc1
O=C(Nc1ccccc1OC(F)F)c1ccc(Cl)cc1 FC(F)[*:1] O=C(Nc1ccccc1O[*:1])c1ccc(Cl)cc1
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1cnn(C)c1C Cc1c(cnn1C)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)[*:1]
CNS(=O)(=O)c1csc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 CNS(=O)(=O)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)c1cc(cs1)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1 CC(C)(C)C[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1 O=C(N1CCCC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)CC(C)(C)C)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1 CC(C)(C)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)C[*:1]
Cn1ncc(C(=O)[O-])c1NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] Cn1ncc(c1NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(OCCn2c(C[NH+]3CCCCC3)nc3ccccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] c1ccc2c(c1)nc(C[NH+]1CCCCC1)n2CCO[*:1]
Cc1ccc(OCCn2c(C[NH+]3CCCCC3)nc3ccccc32)c(C)c1 Cc1ccc(O[*:1])c(C)c1 c1ccc2c(c1)nc(C[NH+]1CCCCC1)n2CC[*:1]
Cc1ccc(NC(=O)CN2CCN(c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)cc1C Cc1ccc(cc1C)[*:1] Cc1nn(c(C)c1N1CCN(CC1)CC(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH+]c1NCc1cccc(Br)c1 Brc1cccc(c1)[*:1] Cn1c(c[nH+]c1NC[*:1])-c1cccc(c1)[N+](=O)[O-]
Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH+]c1NCc1cccc(Br)c1 O=[N+]([O-])[*:1] Cn1c(c[nH+]c1NCc1cccc(Br)c1)-c1cccc(c1)[*:1]
Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH+]c1NCc1cccc(Br)c1 Brc1cccc(c1)C[*:1] Cn1c(c[nH+]c1N[*:1])-c1cccc(c1)[N+](=O)[O-]
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(CN1N=C(CCC1=O)c1nc(no1)-c1ccc2OCOc2c1)N[*:1]
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1cccc(Br)c1 O=C(Nc1cccc(Br)c1)[*:1] O=C1CCC(=NN1C[*:1])c1nc(no1)-c1ccc2OCOc2c1
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1cccc(Br)c1 c1cc2OCOc2cc1[*:1] O=C(CN1N=C(CCC1=O)c1nc(no1)[*:1])Nc1cccc(Br)c1
COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+](C)CCO)c(F)c1 c1ccc(cc1)[*:1] COc1ccc(c(F)c1)-c1nn(cc1C[NH+](C)CCO)[*:1]
CN(C)c1cccc(C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)c1 c1coc(c1)[*:1] CN(C)c1cccc(c1)C(=O)NCC1CCN(CC1)C(=O)C=C[*:1]
CN(C)c1cccc(C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)c1 C(=C[*:1])c1ccco1 CN(C)c1cccc(c1)C(=O)NCC1CCN(CC1)C(=O)[*:1]
CN(C)c1cccc(C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)c1 CN(C)c1cccc(c1)[*:1] O=C(/C=C/c1ccco1)N1CCC(CC1)CNC(=O)[*:1]
CN(C)c1cccc(C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)c1 CN(C)[*:1] O=C(NCC1CCN(CC1)C(=O)/C=C/c1ccco1)c1cccc(c1)[*:1]
COc1ccc(-c2csc(/C(C#N)=C/c3ccco3)n2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-c1csc(n1)C(C#N)=C[*:1]
CCSc1ccc([C@@H](C)NC(=O)NCc2ccccc2CO)cc1 CCS[*:1] C[C@@H](NC(=O)NCc1ccccc1CO)c1ccc(cc1)[*:1]
CCSc1ccc([C@@H](C)NC(=O)NCc2ccccc2CO)cc1 OCc1ccccc1[*:1] CCSc1ccc(cc1)[C@@H](C)NC(=O)NC[*:1]
CC(C)COC(=O)C[C@H]1C[NH2+]CCO1 CC(C)[*:1] O=C(C[C@H]1C[NH2+]CCO1)OC[*:1]
CC(C)COC(=O)C[C@H]1C[NH2+]CCO1 CC(C)C[*:1] O=C(C[C@H]1C[NH2+]CCO1)O[*:1]
CCCn1nnnc1COc1ccc(C(=O)CC)cc1 CCC(=O)[*:1] CCCn1nnnc1COc1ccc(cc1)[*:1]
CCCn1nnnc1COc1ccc(C(=O)CC)cc1 CCC[*:1] CCC(=O)c1ccc(cc1)OCc1nnnn1[*:1]
C[C@@H](CC(C)(C)C)C[C@]1(O)C[C@@H]1C CC(C)(C)[*:1] C[C@H](C[C@]1(O)C[C@@H]1C)C[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCC(=O)Nc1nccs1)C2=O c1csc(n1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCC(=O)N[*:1])C2=O
NS(=O)(=O)c1ccc(N2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])c1 NS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1N1CCC[C@@H]1C1CCCC1)[*:1]
NS(=O)(=O)c1ccc(N2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NS(=O)(=O)c1ccc(c(c1)[*:1])N1CCC[C@@H]1C1CCCC1
NS(=O)(=O)c1ccc(N2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])c1 C1CCC(C1)[*:1] NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCC[C@H]1[*:1]
CCN[C@@]1(C#N)CC[C@H](n2cc(C(F)(F)F)cn2)C1 CCN[*:1] N#C[C@]1(CC[C@@H](C1)n1cc(cn1)C(F)(F)F)[*:1]
CCN[C@@]1(C#N)CC[C@H](n2cc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] CCN[C@@]1(C#N)CC[C@@H](C1)n1cc(cn1)[*:1]
Cc1ccc(F)c(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)c1 Cc1ccc(F)c(c1)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)C(=O)N[*:1]
Cc1ccc(OCC(=O)NC(=S)NNC(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OCC(=O)NC(=S)NNC(=O)N[*:1]
Cc1ccc(OCC(=O)NC(=S)NNC(=O)Nc2ccccc2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])NC(=S)NNC(=O)Nc1ccccc1
Cc1ccc(OCC(=O)NC(=S)NNC(=O)Nc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])NC(=S)NNC(=O)Nc1ccccc1
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccccc1C(F)(F)F O=[N+]([O-])[*:1] Cc1cc(ccc1S(=O)(=O)Oc1ccccc1C(F)(F)F)[*:1]
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1cc(ccc1S(=O)(=O)Oc1ccccc1[*:1])[N+](=O)[O-]
CCC[NH2+]C[C@H]1CCO[C@@H]1c1cccc(OC)c1OC CCC[*:1] COc1cccc(c1OC)[C@H]1OCC[C@@H]1C[NH2+][*:1]
CC(C)c1noc(CCNC(=O)N2C[C@H]3CCCC[C@H]3C2)n1 CC(C)[*:1] O=C(NCCc1nc(no1)[*:1])N1C[C@H]2CCCC[C@H]2C1
O=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 O=C1CCCN1[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1cc(Cl)ccc1OC[C@H]1CCCO1
O=C1C[C@H](C2CCCC2)[C@H](c2ccc(Br)cc2)C(=O)N1 C1CCC(C1)[*:1] O=C1C[C@H]([C@@H](C(=O)N1)c1ccc(Br)cc1)[*:1]
COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)C1=C(C)N(C(=S)N[C@H]1[*:1])c1ccc2OCCOc2c1
COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(F)cc1 COC(=O)[*:1] CC1=C([C@H](NC(=S)N1c1ccc2OCCOc2c1)c1ccc(F)cc1)[*:1]
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Cl CCN(CC)S(=O)(=O)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1ccc(Br)c(c1)[N+](=O)[O-]
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1Cl O=[N+]([O-])[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1Cl)NC(=O)c1ccc(Br)c(c1)[*:1]
C[C@H]1CN[C@@H](c2ccccc2C2CC2)S1 C1CC1[*:1] C[C@H]1CN[C@H](S1)c1ccccc1[*:1]
Cc1ccc(OCC(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1nnc(o1)-c1cccc(Br)c1
Cc1ccc(OCC(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)OCC(=O)Nc1nnc(o1)[*:1]
Cc1ccc(OCC(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1nnc(o1)-c1cccc(Br)c1
c1cc(CN2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)no1 c1cc(C[*:1])no1 c1cc2OCCc2cc1CC[NH+]1CCN(CC1)[*:1]
c1cc(CN2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)no1 c1cc(no1)[*:1] c1cc2OCCc2cc1CC[NH+]1CCN(CC1)C[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(Cc2csc(CC(=O)N(C)C)n2)CC1 CN(C)C(=O)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)Cc1csc(C[*:1])n1
C[C@H]1C[C@H]1C(=O)N1CCN(Cc2csc(CC(=O)N(C)C)n2)CC1 CN(C)C(=O)C[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)Cc1csc(n1)[*:1]
COc1cccc(CN2C(=O)[C@]3(SCC(=O)N3c3ccc(C)cc3)c3ccccc32)c1 COc1cccc(c1)C[*:1] Cc1ccc(cc1)N1C(=O)CS[C@]12C(=O)N(c1ccccc12)[*:1]
COc1cccc(CN2C(=O)[C@]3(SCC(=O)N3c3ccc(C)cc3)c3ccccc32)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)CN1C(=O)[C@]2(SCC(=O)N2[*:1])c2ccccc21
COc1cccc(CN2C(=O)[C@]3(SCC(=O)N3c3ccc(C)cc3)c3ccccc32)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)N1C(=O)CS[C@]12C(=O)N(C[*:1])c1ccccc12
CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCCN(C(=O)c2ccccn2)C1 c1ccc(nc1)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1cc(no1)-c1ccccc1F
CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCCN(C(=O)c2ccccn2)C1 CCOC(=O)[*:1] O=C(c1ccccn1)N1CCC[C@](Cc2cc(no2)-c2ccccc2F)(C1)[*:1]
CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCCN(C(=O)c2ccccn2)C1 Fc1ccccc1[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)c1ccccn1)Cc1cc(no1)[*:1]
CCCCn1c(C)[n+](CC(=O)c2ccc(Cl)cc2)c2ccccc21 CCCC[*:1] Cc1n(c2ccccc2[n+]1CC(=O)c1ccc(Cl)cc1)[*:1]
CCCCn1c(C)[n+](CC(=O)c2ccc(Cl)cc2)c2ccccc21 CCC[*:1] Cc1n(C[*:1])c2ccccc2[n+]1CC(=O)c1ccc(Cl)cc1
CCCCn1c(C)[n+](CC(=O)c2ccc(Cl)cc2)c2ccccc21 Clc1ccc(cc1)[*:1] CCCCn1c(C)[n+](CC(=O)[*:1])c2ccccc21
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@]1(O)CCCc2ccccc21 C1CC1[*:1] Cc1ccc(cc1NC(=O)NC[C@]1(O)CCCc2ccccc21)C(=O)N[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@]1(O)CCCc2ccccc21 O=C(NC1CC1)[*:1] Cc1ccc(cc1NC(=O)NC[C@]1(O)CCCc2ccccc21)[*:1]
CCC(CC)([C@@H]([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C CS(=O)(=O)[*:1] CCC(CC)([C@@H]([NH3+])[C@@H]1CCC[C@H](C1)[*:1])[NH+](C)C
CCCc1nc(C)c(C(=O)Nc2ccc(F)cc2OCC)s1 CCC[*:1] CCOc1cc(F)ccc1NC(=O)c1sc(nc1C)[*:1]
CCCc1nc(C)c(C(=O)Nc2ccc(F)cc2OCC)s1 CCO[*:1] CCCc1nc(C)c(s1)C(=O)Nc1ccc(F)cc1[*:1]
O=C(Nc1ccc(Oc2ncccn2)cc1)c1cc2c(s1)CCC2 c1cnc(nc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cc2CCCc2s1
O=C(Nc1ccc(Oc2ncccn2)cc1)c1cc2c(s1)CCC2 c1cnc(nc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2CCCc2s1
O=C(Nc1ccc(Oc2ncccn2)cc1)c1cc2c(s1)CCC2 c1c(sc2CCCc12)[*:1] O=C(Nc1ccc(cc1)Oc1ncccn1)[*:1]
CC[C@](C)(NC(=O)c1cc(C#N)cn1C)C(=O)OC COC(=O)[*:1] CC[C@](C)(NC(=O)c1cc(C#N)cn1C)[*:1]
CNC(=O)COC(=O)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] CNC(=O)COC(=O)c1ccc(nc1)O[*:1]
CNC(=O)COC(=O)c1ccc(OCC(F)F)nc1 FC(F)[*:1] CNC(=O)COC(=O)c1ccc(nc1)OC[*:1]
CNC(=O)COC(=O)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] CNC(=O)COC(=O)c1ccc(nc1)[*:1]
CNC(=O)COC(=O)c1ccc(OCC(F)F)nc1 CNC(=O)C[*:1] O=C(O[*:1])c1ccc(nc1)OCC(F)F
CNC(=O)COC(=O)c1ccc(OCC(F)F)nc1 CNC(=O)[*:1] O=C(OC[*:1])c1ccc(nc1)OCC(F)F
O=C(c1cccc([N+](=O)[O-])c1)N(CC[NH+]1CCOCC1)c1nc2c(Cl)cccc2s1 Clc1cccc2sc(nc12)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N(CC[NH+]1CCOCC1)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N(CC[NH+]1CCOCC1)c1nc2c(Cl)cccc2s1 O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])N(CC[NH+]1CCOCC1)c1nc2c(Cl)cccc2s1
O=C(c1cccc([N+](=O)[O-])c1)N(CC[NH+]1CCOCC1)c1nc2c(Cl)cccc2s1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(N(CC[NH+]1CCOCC1)c1nc2c(Cl)cccc2s1)[*:1]
Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCCC3)o2)n1 O=C(N1CCCCC1)[*:1] Cc1cc(C)nc(n1)SCc1nnc(o1)SC[*:1]
Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCCC3)o2)n1 Cc1cc(C)nc(n1)[*:1] O=C(CSc1nnc(CS[*:1])o1)N1CCCCC1
CCCCOc1c(Cl)cc(Cl)cc1C[NH3+] CCC[*:1] [NH3+]Cc1cc(Cl)cc(Cl)c1OC[*:1]
CCCCOc1c(Cl)cc(Cl)cc1C[NH3+] CCCC[*:1] [NH3+]Cc1cc(Cl)cc(Cl)c1O[*:1]
CCCCOc1c(Cl)cc(Cl)cc1C[NH3+] CCCCO[*:1] [NH3+]Cc1cc(Cl)cc(Cl)c1[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3csc(Nc4ncccn4)n3)CC2)cc1 CC(=O)[*:1] O=C(c1csc(n1)Nc1ncccn1)N1CCN(CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3csc(Nc4ncccn4)n3)CC2)cc1 c1cnc(nc1)N[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1csc(n1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3csc(Nc4ncccn4)n3)CC2)cc1 c1cnc(nc1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1csc(n1)N[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3csc(Nc4ncccn4)n3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(c1csc(n1)Nc1ncccn1)N1CCN(CC1)[*:1]
CCn1nc(C)c(NC(=O)NC[C@H](O)c2ccc(OC(F)F)cc2)c1C FC(F)[*:1] CCn1nc(C)c(NC(=O)NC[C@H](O)c2ccc(cc2)O[*:1])c1C
CCn1nc(C)c(NC(=O)NC[C@H](O)c2ccc(OC(F)F)cc2)c1C FC(F)O[*:1] CCn1nc(C)c(NC(=O)NC[C@H](O)c2ccc(cc2)[*:1])c1C
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1 CC(C)(C)[*:1] O=C(NCCc1ccccc1)[C@@H]1CCCN1C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[*:1]
COc1cc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@H]2c2ccccc2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@@H]1[*:1]
O=[N+]([O-])c1c(Nc2cc(Cl)cc(Cl)c2)ncnc1NC1CCCC1 Clc1cc(Cl)cc(c1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NC1CCCC1
O=[N+]([O-])c1c(Nc2cc(Cl)cc(Cl)c2)ncnc1NC1CCCC1 O=[N+]([O-])[*:1] Clc1cc(Cl)cc(c1)Nc1ncnc(NC2CCCC2)c1[*:1]
O=[N+]([O-])c1c(Nc2cc(Cl)cc(Cl)c2)ncnc1NC1CCCC1 C1CCC(C1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1cc(Cl)cc(Cl)c1
O=[N+]([O-])c1c(Nc2cc(Cl)cc(Cl)c2)ncnc1NC1CCCC1 C1CCC(C1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cc(Cl)cc(Cl)c1
CC(C)(C)C(=O)COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)C[*:1] CC(C)(C)C(=O)COC(=O)c1nn(c(=O)c2ccccc12)[*:1]
CC(C)(C)C(=O)COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 CC(C)(C)[*:1] O=C(OCC(=O)[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
CC(C)(C)C(=O)COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 CC(C)(C)C(=O)C[*:1] O=C(O[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
CC(C)(C)C(=O)COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] CC(C)(C)C(=O)COC(=O)c1nn(C[*:1])c(=O)c2ccccc12
CC(C)(C)C(=O)COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 CC(C)(C)C(=O)[*:1] O=C(OC[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
CCOC(=O)c1c(NC(=O)C(=O)NCCO)sc2c1CC(C)(C)OC2 CCOC(=O)[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)NCCO)c2[*:1]
CCOC(=O)c1c(NC(=O)C(=O)NCCO)sc2c1CC(C)(C)OC2 OCC[*:1] CCOC(=O)c1c(NC(=O)C(=O)N[*:1])sc2COC(C)(C)Cc21
CCOc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)cc1 CCOc1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)N1CCOCC1)[C@@H]1CCCN1C(=O)C[*:1]
CCOc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)cc1 CCOc1ccc(cc1)C[*:1] Cc1nc(ncc1C(=O)N1CCOCC1)[C@@H]1CCCN1C(=O)[*:1]
CCOc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)cc1 CCO[*:1] Cc1nc(ncc1C(=O)N1CCOCC1)[C@@H]1CCCN1C(=O)Cc1ccc(cc1)[*:1]
CCOc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)cc1 O=C(N1CCOCC1)[*:1] CCOc1ccc(cc1)CC(=O)N1CCC[C@H]1c1ncc(c(C)n1)[*:1]
CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cn1 CCOC(=O)C(C)(C)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)Nc1cnn(c1)[*:1]
CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cn1 CCOC(=O)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)Nc1cnn(c1)C(C)(C)[*:1]
Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)CCCO)c1C OCC[*:1] Cc1cccc(c1C)[C@H]1CCCN1C(=O)N[C@H](C)C[*:1]
Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)CCCO)c1C OCCC[*:1] Cc1cccc(c1C)[C@H]1CCCN1C(=O)N[C@H](C)[*:1]
Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)CCCO)c1C C[C@H](CCCO)[*:1] Cc1cccc(c1C)[C@H]1CCCN1C(=O)N[*:1]
Cc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCCC4)CC3)c2c1 O=C(N1CCCC1)[*:1] Cc1ccc2ncc(C#N)c(c2c1)N1CCC(CC1)[*:1]
FC(F)(F)c1cccc(NC(=S)N2CCCC[C@H]2CC[NH+]2CCOCC2)c1 FC(F)(F)[*:1] S=C(Nc1cccc(c1)[*:1])N1CCCC[C@H]1CC[NH+]1CCOCC1
CC1=C(C)C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)[C@@H](CC=1C)[*:1]
CC1=C(C)C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)[C@@H](C(=O)[O-])C1 c1ccc(cc1)C[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)C(=O)N[C@@H](C)C[*:1]
CC1=C(C)C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)[C@@H](C(=O)[O-])C1 c1ccc(cc1)CC[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)C(=O)N[C@@H](C)[*:1]
CC1=C(C)C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)[C@@H](C(=O)[O-])C1 c1ccc(cc1)[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)C(=O)N[C@@H](C)CC[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ccnc3ccccc13)n2C CCC[*:1] Cn1c(CSc2ccnc3ccccc23)nc2c1c(=O)[nH]c(=O)n2C[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ccnc3ccccc13)n2C CCCC[*:1] Cn1c(CSc2ccnc3ccccc23)nc2c1c(=O)[nH]c(=O)n2[*:1]
Cc1nc2ccccc2nc1COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2ccccc2nc1COC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1]
O=C(c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)c1nc2ccc(Cl)cc2s1 Fc1ccc(cc1)[*:1] O=C(N(CCC[NH+]1CCOCC1)c1nc2ccc(Cl)cc2s1)[*:1]
CCOC(=O)N1CCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)CC1 Cc1ccccc1[*:1] CCOC(=O)N1CCN(CC1)C(=O)CN(S(C)(=O)=O)[*:1]
COc1cccc(CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)CN(S(=O)(=O)c1ccc(Cl)cc1)[*:1]
COc1cccc(CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)c1 COc1cccc(c1)C[*:1] O=S(=O)(c1ccc(Cl)cc1)N(c1ccc2OCOc2c1)[*:1]
COc1cccc(CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CN(c1ccc2OCOc2c1)S(=O)(=O)[*:1]
COc1cccc(CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)c1 COc1cccc(c1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N(C[*:1])c1ccc2OCOc2c1
O=C(NNC(=S)Nc1ccc(F)cc1)c1cn(-c2ccccc2Cl)nn1 Fc1ccc(cc1)[*:1] O=C(NNC(=S)N[*:1])c1cn(nn1)-c1ccccc1Cl
O=C(NNC(=S)Nc1ccc(F)cc1)c1cn(-c2ccccc2Cl)nn1 Clc1ccccc1[*:1] O=C(NNC(=S)Nc1ccc(F)cc1)c1cn(nn1)[*:1]
CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCC[C@@H]1C c1ccc(cc1)C[*:1] CCn1c(nnc1[*:1])SCC(=O)N1CCCC[C@@H]1C
CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCC[C@@H]1C c1ccc(cc1)[*:1] CCn1c(C[*:1])nnc1SCC(=O)N1CCCC[C@@H]1C
CSC(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 CSC(C)(C)[*:1] N#Cc1ccc(cc1Cl)NC(=O)C(=O)NC[*:1]
CSC(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 CSC(C)(C)C[*:1] N#Cc1ccc(cc1Cl)NC(=O)C(=O)N[*:1]
CCCN(C)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 CCOC(=O)[*:1] CCCN(C)CC1NC(=O)N[C@@H](C)C=1[*:1]
CCCN(C)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 CCCN(C)[*:1] CCOC(=O)C1=C(C[*:1])NC(=O)N[C@H]1C
CCCN(C)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 CCC[*:1] CCOC(=O)C1=C(CN(C)[*:1])NC(=O)N[C@H]1C
CCCN(C)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 CCCN(C)C[*:1] CCOC(=O)C1=C(NC(=O)N[C@H]1C)[*:1]
O=C(Cn1cnc2cc(-c3ccc(Br)cc3)sc2c1=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cnc2cc(sc2c1=O)-c1ccc(Br)cc1)N[*:1]
O=C(Cn1cnc2cc(-c3ccc(Br)cc3)sc2c1=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=c1c2sc(cc2ncn1C[*:1])-c1ccc(Br)cc1
O=C(Cn1cnc2cc(-c3ccc(Br)cc3)sc2c1=O)Nc1ccccc1 Brc1ccc(cc1)[*:1] O=C(Cn1cnc2cc(sc2c1=O)[*:1])Nc1ccccc1
Cc1cc2nc(-c3cccs3)cc(C(=O)NC[C@@H]3CCCO3)c2cc1C c1csc(c1)[*:1] Cc1cc2nc(cc(C(=O)NC[C@@H]3CCCO3)c2cc1C)[*:1]
O=C(NCc1cccc(OCC(F)F)n1)N1CCC(Oc2ccccc2)CC1 FC(F)[*:1] O=C(NCc1cccc(n1)OC[*:1])N1CCC(CC1)Oc1ccccc1
O=C(NCc1cccc(OCC(F)F)n1)N1CCC(Oc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(NCc1cccc(n1)OCC(F)F)N1CCC(CC1)[*:1]
O=C(NCc1cccc(OCC(F)F)n1)N1CCC(Oc2ccccc2)CC1 FC(F)CO[*:1] O=C(NCc1cccc(n1)[*:1])N1CCC(CC1)Oc1ccccc1
O=C(NCc1cccc(OCC(F)F)n1)N1CCC(Oc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCc1cccc(n1)OCC(F)F)N1CCC(CC1)O[*:1]
O=C(NCc1cccc(OCC(F)F)n1)N1CCC(Oc2ccccc2)CC1 FC(F)C[*:1] O=C(NCc1cccc(n1)O[*:1])N1CCC(CC1)Oc1ccccc1
CC(=O)NC[C@@H](C)N1CCc2ccccc21 CC(=O)NC[*:1] C[C@@H](N1CCc2ccccc21)[*:1]
CC(=O)NC[C@@H](C)N1CCc2ccccc21 CC(=O)N[*:1] C[C@H](C[*:1])N1CCc2ccccc21
Cc1cc2ncn(CC3CCN(C(=O)c4ccc(Cn5ccnc5)cc4)CC3)c2cc1C c1cn(cn1)[*:1] Cc1cc2ncn(CC3CCN(CC3)C(=O)c3ccc(cc3)C[*:1])c2cc1C
Cc1cc2ncn(CC3CCN(C(=O)c4ccc(Cn5ccnc5)cc4)CC3)c2cc1C c1cn(cn1)C[*:1] Cc1cc2ncn(CC3CCN(CC3)C(=O)c3ccc(cc3)[*:1])c2cc1C
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)C[C@H](C)O C[C@H](O)C[*:1] Cc1ccc(c(C)c1NC(=O)NC[C@@H](C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)C[C@H](C)O O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)NC[C@@H](C)C[C@H](C)O)[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)C[C@H](C)O C[C@H](O)[*:1] Cc1ccc(c(C)c1NC(=O)NC[C@@H](C)C[*:1])[N+](=O)[O-]
Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)c(F)c1 Cc1ccc(c(F)c1)[*:1] CC(C)CC[NH+]1CCC(CC1)CNC(=O)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)c(F)c1 CC(C)C[*:1] Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](CC2)C[*:1])c(F)c1
Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)c(F)c1 CC(C)[*:1] Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](CC2)CC[*:1])c(F)c1
Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)c(F)c1 CC(C)CC[*:1] Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](CC2)[*:1])c(F)c1
Cc1cc2nc(CSc3nncn3-c3ccccc3)c(=O)[nH]c2cc1C c1ccc(cc1)[*:1] Cc1cc2nc(CSc3nncn3[*:1])c(=O)[nH]c2cc1C
COc1cc(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)cc(OC)c1 COc1cc(cc(c1)[*:1])OC O=C(Cn1ccn(Cc2ccc(Cl)cc2)c(=O)c1=O)N[*:1]
COc1cc(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)cc(OC)c1 Clc1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)Cn1ccn(C[*:1])c(=O)c1=O
COc1cc(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)cc(OC)c1 Clc1ccc(cc1)C[*:1] COc1cc(cc(c1)OC)NC(=O)Cn1ccn(c(=O)c1=O)[*:1]
Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc1-c1ccccc1 O=[N+]([O-])[*:1] Cc1nc(NC(=O)c2cc(ccc2Cl)[*:1])sc1-c1ccccc1
Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(NC(=O)c2cc(ccc2Cl)[N+](=O)[O-])sc1[*:1]
C[C@H]1CN(C(=O)c2c[nH]c3nccc(Cl)c23)[C@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] C[C@H]1CN(C(=O)c2c[nH]c3nccc(Cl)c23)[C@H](CO1)[*:1]
Cc1nc2ccccc2nc1NC[C@@H]1CCO[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2ccccc2nc1NC[C@@H]1CCO[C@@H]1[*:1]
Cc1cccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2cccn3c(C)nnc23)c1 Clc1cccc(c1)C[*:1] Cc1cccc(c1)N(S(=O)(=O)c1cccn2c(C)nnc12)[*:1]
Cc1cccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2cccn3c(C)nnc23)c1 Cc1cccc(c1)[*:1] Cc1nnc2c(cccn12)S(=O)(=O)N(Cc1cccc(Cl)c1)[*:1]
Cc1cccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2cccn3c(C)nnc23)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)N(C[*:1])S(=O)(=O)c1cccn2c(C)nnc12
C[C@H](CCc1cccn1C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 Cn1cccc1C[*:1] C[C@H](C[*:1])NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
C[C@H](CCc1cccn1C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 Cn1cccc1CC[*:1] C[C@H](NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)[*:1]
C[C@H](CCc1cccn1C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 Cn1cccc1[*:1] C[C@H](CC[*:1])NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
C[C@H](CCc1cccn1C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@H](CCc1cccn1C)NC(=O)c1ccc(Cl)c(c1)[*:1]
CCN1C[C@H](C(=O)N(C)CC(=O)NC(C)(C)C)CC1=O CC(C)(C)[*:1] CCN1C[C@@H](CC1=O)C(=O)N(C)CC(=O)N[*:1]
CSC[C@H](C)N(C)C(=O)c1c[nH]c2nccc(Cl)c12 CSC[*:1] C[C@H](N(C)C(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CC(C)C(=O)Nc1ccc2c([C@@H](C(=O)[O-])[NH+]3CCN(Cc4ccccc4)CC3)c[nH]c2c1 CC(C)C(=O)N[*:1] O=C([O-])[C@H](c1c[nH]c2cc(ccc12)[*:1])[NH+]1CCN(CC1)Cc1ccccc1
CC(C)C(=O)Nc1ccc2c([C@@H](C(=O)[O-])[NH+]3CCN(Cc4ccccc4)CC3)c[nH]c2c1 CC(C)[*:1] O=C([O-])[C@H](c1c[nH]c2cc(ccc12)NC(=O)[*:1])[NH+]1CCN(CC1)Cc1ccccc1
CC(C)C(=O)Nc1ccc2c([C@@H](C(=O)[O-])[NH+]3CCN(Cc4ccccc4)CC3)c[nH]c2c1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc2c(c[nH]c2c1)[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C[*:1]
CC(C)C(=O)Nc1ccc2c([C@@H](C(=O)[O-])[NH+]3CCN(Cc4ccccc4)CC3)c[nH]c2c1 c1ccc(cc1)C[*:1] CC(C)C(=O)Nc1ccc2c(c[nH]c2c1)[C@@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
C[NH+](C)CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc2cc3c(cc2s1)OCO3 O=[N+]([O-])[*:1] C[NH+](C)CCN(C(=O)c1cc(Cl)ccc1[*:1])c1nc2cc3OCOc3cc2s1
C[NH+](C)CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc2cc3c(cc2s1)OCO3 O=[N+]([O-])c1ccc(Cl)cc1[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2cc3OCOc3cc2s1
CSc1cc(Cl)ccc1C(F)(F)F FC(F)(F)[*:1] CSc1cc(Cl)ccc1[*:1]
C=CCOc1ccc(CNc2ccc(-c3nc(C)n[nH]3)cc2)cc1 C=CC[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NCc1ccc(cc1)O[*:1]
C=CCOc1ccc(CNc2ccc(-c3nc(C)n[nH]3)cc2)cc1 C=CCO[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NCc1ccc(cc1)[*:1]
C=CCOc1ccc(CNc2ccc(-c3nc(C)n[nH]3)cc2)cc1 Cc1n[nH]c(n1)[*:1] C=CCOc1ccc(cc1)CNc1ccc(cc1)[*:1]
CSCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CSCC(=O)Nc1ccc2[C@@H]3C[C@@H](CN(C3)C(=O)N[*:1])Cn2c1=O
CSCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(F)cc2)C1 CSC[*:1] O=C(Nc1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)[*:1])c(=O)n1C2
CSCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(F)cc2)C1 CSCC(=O)N[*:1] O=C(Nc1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1ccc(c(=O)n1C2)[*:1]
Cc1ccc(/C=C/CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(CC=C[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
Cc1c(CCNC(=O)N2CCOC[C@@H]2C2CC2)cnn1C Cc1c(cnn1C)[*:1] O=C(NCC[*:1])N1CCOC[C@@H]1C1CC1
Cc1c(CCNC(=O)N2CCOC[C@@H]2C2CC2)cnn1C C1CC1[*:1] Cc1c(cnn1C)CCNC(=O)N1CCOC[C@H]1[*:1]
CC(C)c1nnc(N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)s1 CC(C)[*:1] Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C1)c1nnc(s1)[*:1]
CC(C)c1nnc(N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)s1 c1cn(cn1)[*:1] CC(C)c1nnc(s1)N1CCC[C@H](C1)c1nnc(C[*:1])n1C
CC(C)c1nnc(N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)s1 c1cn(cn1)C[*:1] CC(C)c1nnc(s1)N1CCC[C@H](C1)c1nnc(n1C)[*:1]
CC(C)c1nnc(N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)s1 CC(C)c1nnc(s1)[*:1] Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C1)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])C[C@@H](C)c1ccc(F)cc1 C=CC[*:1] C[C@H](C/C([O-])=N/S(=O)(=O)[*:1])c1ccc(F)cc1
O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Cl)s1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC[*:1])c1ccc(Cl)s1
O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Cl)s1 c1ccc(cc1)CC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccc(Cl)s1
O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1)[*:1]
O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Cl)s1 O=C(N[*:1])c1ccc(Cl)s1 O=S(=O)(NCCc1ccccc1)c1ccc(cc1)[*:1]
O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Cl)s1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NCC[*:1])c1ccc(Cl)s1
COc1cc(Cl)c(C)cc1NCc1cc[nH]c1 c1cc(c[nH]1)[*:1] COc1cc(Cl)c(C)cc1NC[*:1]
Nc1nc(Cn2nnn(-c3cccs3)c2=O)nc2ccccc12 c1csc(c1)[*:1] Nc1nc(Cn2nnn(c2=O)[*:1])nc2ccccc12
COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2[C@@H]4C=C[C@@H]([C@H]5C(=O)N(c6cccc(OC)c6)C(=O)[C@@H]45)[C@@H]32)c1 COc1cccc(c1)[*:1] COc1cccc(c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C1=O)[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]31)[*:1]
COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2[C@@H]4C=C[C@@H]([C@H]5C(=O)N(c6cccc(OC)c6)C(=O)[C@@H]45)[C@@H]32)c1 COc1cccc(c1)[*:1] COc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1[C@@H]3C=C[C@@H]([C@H]4C(=O)N(C(=O)[C@@H]34)[*:1])[C@@H]21
CCOC(=O)N1CCN(C(=O)NCc2coc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)NCc1coc(n1)[*:1]
Cc1cc(OCC(=O)OCc2nnc(-c3ccccc3)o2)ccc1Cl c1ccc(cc1)[*:1] Cc1cc(ccc1Cl)OCC(=O)OCc1nnc(o1)[*:1]
Cc1cc(OCC(=O)OCc2nnc(-c3ccccc3)o2)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C(CO[*:1])OCc1nnc(o1)-c1ccccc1
Cc1ccc([N+](=O)[O-])c(C(=O)NN2Cc3ccccc3C2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)C(=O)NN1Cc2ccccc2C1)[*:1]
Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3cc(N)ccn3)C2)cc1 Cc1ccc(cc1)[*:1] Nc1ccnc(c1)C(=O)N1CCC[C@H](C1)c1[nH]ncc1[*:1]
Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3cc(N)ccn3)C2)cc1 Nc1ccnc(c1)[*:1] Cc1ccc(cc1)-c1cn[nH]c1[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(F)cc1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(F)cc1C(=O)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(CNc2c(C(C)=O)nnn2-c2ccc(F)cc2)cc1 CC(=O)[*:1] COc1ccc(cc1)CNc1c(nnn1-c1ccc(F)cc1)[*:1]
COc1ccc(CNc2c(C(C)=O)nnn2-c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1nnn(-c2ccc(F)cc2)c1NC[*:1]
COc1ccc(CNc2c(C(C)=O)nnn2-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CNc1c(nnn1[*:1])C(C)=O
COc1ccc([C@H]2CC(C(C)(C)O)=NO2)cc1 CC(C)(O)[*:1] COc1ccc(cc1)[C@H]1CC(=NO1)[*:1]
Cc1cc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])Oc1ccc(cn1)S(=O)(=O)N1CCCC1
Cc1cc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)ccc1C(C)C O=S(=O)(N1CCCC1)[*:1] Cc1cc(ccc1C(C)C)Oc1ccc(cn1)[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 Fc1ccc(cc1F)[*:1] CC[C@@H](C)NS(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(cc1)Oc1ccccc1
COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1NC(C)=O c1ccc(cc1)O[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)Nc1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1NC(C)=O c1ccc(cc1)[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)Nc1ccc(cc1)O[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 CCCC(=O)N[*:1] O=C([C@H]1CN(CCO1)Cc1ccccc1)N1CCC[C@H](C1)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 CCC[*:1] O=C([C@H]1CN(CCO1)Cc1ccccc1)N1CCC[C@H](C1)NC(=O)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 c1ccc(cc1)C[*:1] CCCC(=O)N[C@@H]1CCCN(C1)C(=O)[C@H]1CN(CCO1)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 c1ccc(cc1)[*:1] CCCC(=O)N[C@@H]1CCCN(C1)C(=O)[C@H]1CN(CCO1)C[*:1]
CC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)c1ccc(C[NH3+])o1 O=C([O-])[*:1] CC[C@@H]1SC[C@@H](N1C(=O)c1ccc(C[NH3+])o1)[*:1]
O=C(NCC1CC1)c1ccc(-c2cnco2)cc1 C1CC1[*:1] O=C(NC[*:1])c1ccc(cc1)-c1cnco1
O=C(NCC1CC1)c1ccc(-c2cnco2)cc1 C1CC1C[*:1] O=C(N[*:1])c1ccc(cc1)-c1cnco1
O=C(NCC1CC1)c1ccc(-c2cnco2)cc1 c1ncc(o1)[*:1] O=C(NCC1CC1)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)NNc2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] CN(c1ccccc1)c1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
Cc1ccc(C(=O)NNc2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NNc1ncnc(c1[N+](=O)[O-])N(C)[*:1]
Cc1ccc(C(=O)NNc2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)NNc1ncnc(c1[*:1])N(C)c1ccccc1
Cc1ccc(C(=O)NNc2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])cc1 CN(c1ccccc1)[*:1] Cc1ccc(cc1)C(=O)NNc1ncnc(c1[N+](=O)[O-])[*:1]
CCOc1ccc(-c2cc3c(SCC(=O)OC)nccn3n2)cc1Cl COC(=O)CS[*:1] CCOc1ccc(cc1Cl)-c1cc2c(nccn2n1)[*:1]
CCOc1ccc(-c2cc3c(SCC(=O)OC)nccn3n2)cc1Cl COC(=O)[*:1] CCOc1ccc(cc1Cl)-c1cc2c(nccn2n1)SC[*:1]
CCOc1ccc(-c2cc3c(SCC(=O)OC)nccn3n2)cc1Cl CCO[*:1] COC(=O)CSc1nccn2nc(cc12)-c1ccc(c(Cl)c1)[*:1]
CCOc1ccc(-c2cc3c(SCC(=O)OC)nccn3n2)cc1Cl COC(=O)C[*:1] CCOc1ccc(cc1Cl)-c1cc2c(nccn2n1)S[*:1]
CCNc1ncc(CO[C@H]2CCOC2)s1 C1C[C@@H](CO1)[*:1] CCNc1ncc(CO[*:1])s1
CCNc1ncc(CO[C@H]2CCOC2)s1 CCN[*:1] c1nc(sc1CO[C@H]1CCOC1)[*:1]
Cc1nc2ccccc2c(=O)n1[C@@H](C)C(=O)Nc1nc(C2CC2)cs1 C1CC1[*:1] Cc1nc2ccccc2c(=O)n1[C@@H](C)C(=O)Nc1nc(cs1)[*:1]
Cc1nc2ccccc2c(=O)n1[C@@H](C)C(=O)Nc1nc(C2CC2)cs1 c1sc(nc1C1CC1)[*:1] Cc1nc2ccccc2c(=O)n1[C@@H](C)C(=O)N[*:1]
CC(C)C[C@@H]1COCCN1C(=O)Cn1cnnn1 c1nnnn1C[*:1] CC(C)C[C@@H]1COCCN1C(=O)[*:1]
CC(C)C[C@@H]1COCCN1C(=O)Cn1cnnn1 CC(C)C[*:1] O=C(Cn1cnnn1)N1CCOC[C@H]1[*:1]
CC(C)C[C@@H]1COCCN1C(=O)Cn1cnnn1 c1nnnn1[*:1] CC(C)C[C@@H]1COCCN1C(=O)C[*:1]
CC(C)C[C@@H]1COCCN1C(=O)Cn1cnnn1 CC(C)[*:1] O=C(Cn1cnnn1)N1CCOC[C@H]1C[*:1]
CCC[NH+]1CCC(CNC(=O)c2n[nH]c(C3CC3)c2Cl)CC1 CCC[*:1] O=C(NCC1CC[NH+](CC1)[*:1])c1n[nH]c(c1Cl)C1CC1
CCC[NH+]1CCC(CNC(=O)c2n[nH]c(C3CC3)c2Cl)CC1 C1CC1[*:1] CCC[NH+]1CCC(CC1)CNC(=O)c1n[nH]c(c1Cl)[*:1]
C[C@@H](NC(N)=O)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 C[C@@H](NC(N)=O)[*:1] O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[*:1]
C[C@@H](NC(N)=O)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 Clc1ccccc1[*:1] C[C@@H](NC(N)=O)C(=O)NC[C@H](N1CCOCC1)[*:1]
C[C@@H](NC(N)=O)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](NC(N)=O)C(=O)NC[C@H](c1ccccc1Cl)[*:1]
C[C@@H](NC(N)=O)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 NC(=O)N[*:1] C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)[*:1]
CCCCc1noc([C@@H](O)c2ccccc2)n1 CCC[*:1] O[C@@H](c1ccccc1)c1nc(C[*:1])no1
CCCCc1noc([C@@H](O)c2ccccc2)n1 CCCC[*:1] O[C@@H](c1ccccc1)c1nc(no1)[*:1]
CCc1nnc2c(N3CCN(c4ccccc4)CC3)nc3ccccc3n12 c1ccc(cc1)[*:1] CCc1nnc2c(nc3ccccc3n12)N1CCN(CC1)[*:1]
C#Cc1cccc(N(CC)C(=O)c2ccc(-n3cccc3)nc2)c1 C#Cc1cccc(c1)[*:1] CCN(C(=O)c1ccc(nc1)-n1cccc1)[*:1]
C#Cc1cccc(N(CC)C(=O)c2ccc(-n3cccc3)nc2)c1 c1ccn(c1)[*:1] C#Cc1cccc(c1)N(CC)C(=O)c1ccc(nc1)[*:1]
C[NH2+][C@@]1(C(=O)[O-])CCC[C@H]([NH+]2CCCCCC2)C1 O=C([O-])[*:1] C[NH2+][C@]1(CCC[C@@H](C1)[NH+]1CCCCCC1)[*:1]
C[C@H](NC(=O)c1cc(C(N)=O)cs1)c1ccc(F)cc1Cl NC(=O)[*:1] C[C@H](NC(=O)c1cc(cs1)[*:1])c1ccc(F)cc1Cl
COCCNC(=O)c1c(C#N)ccn1-c1ccc(F)c(Cl)c1 COCCNC(=O)[*:1] N#Cc1ccn(-c2ccc(F)c(Cl)c2)c1[*:1]
COCCNC(=O)c1c(C#N)ccn1-c1ccc(F)c(Cl)c1 COCC[*:1] N#Cc1ccn(-c2ccc(F)c(Cl)c2)c1C(=O)N[*:1]
COCCNC(=O)c1c(C#N)ccn1-c1ccc(F)c(Cl)c1 COC[*:1] N#Cc1ccn(-c2ccc(F)c(Cl)c2)c1C(=O)NC[*:1]
O=C(NCc1cccnc1)c1ccc(-c2ccccc2Cl)o1 Clc1ccccc1[*:1] O=C(NCc1cccnc1)c1ccc(o1)[*:1]
O=C(NCc1cccnc1)c1ccc(-c2ccccc2Cl)o1 c1cncc(c1)[*:1] O=C(NC[*:1])c1ccc(o1)-c1ccccc1Cl
O=C(NCc1cccnc1)c1ccc(-c2ccccc2Cl)o1 c1cncc(c1)C[*:1] O=C(N[*:1])c1ccc(o1)-c1ccccc1Cl
O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(N1CCO[C@@H](C1)c1ccc(Cl)c(Cl)c1)[*:1]
COc1ccc(/C=C/C(=O)Nc2nncs2)cc1 c1nnc(s1)[*:1] COc1ccc(/C=C/C(=O)N[*:1])cc1
CC(C)[C@@H](O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)[C@@H](O)c1cccc(c1)[*:1]
CC(C)[C@@H](O)c1cccc([N+](=O)[O-])c1 CC(C)[*:1] O=[N+]([O-])c1cccc(c1)[C@H](O)[*:1]
O=C([O-])Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] O=C([O-])Cc1ccc(cc1)NC(=O)N[*:1]
O=C([O-])Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(Br)cc1)Nc1ccc(cc1)C[*:1]
O=C([O-])Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 O=C([O-])C[*:1] O=C(Nc1ccc(Br)cc1)Nc1ccc(cc1)[*:1]
COC(=O)c1c(C)[nH]c2c1C(=O)CC2 COC(=O)[*:1] Cc1[nH]c2CCC(=O)c2c1[*:1]
Cc1cc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)no1 Cc1cc(no1)[*:1] O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N[*:1]
Cc1cc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)no1 c1csc(c1)C[*:1] Cc1cc(no1)NC(=O)CSc1nnc(n1C1CC1)[*:1]
Cc1cc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)no1 C1CC1[*:1] Cc1cc(no1)NC(=O)CSc1nnc(Cc2cccs2)n1[*:1]
Cc1cc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)no1 c1csc(c1)[*:1] Cc1cc(no1)NC(=O)CSc1nnc(C[*:1])n1C1CC1
Cc1ccc(NC(=O)CCc2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)CC[*:1])c(Cl)c1
C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 Brc1cccc(c1)[*:1] C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 CC[C@H](C)[*:1] O=C(c1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)[*:1])N1CCCCC1
CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 O=C(N1CCCCC1)[*:1] CC[C@H](C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)[*:1]
CCCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3ccccc3F)ccc21 Fc1ccccc1[*:1] CCCS(=O)(=O)N1CCCc2cc(ccc21)NC(=O)N[*:1]
CCCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3ccccc3F)ccc21 CCC[*:1] O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1])Nc1ccccc1F
Clc1cccc(C2(c3nc(-c4ccccn4)no3)CCOCC2)c1 Clc1cccc(c1)[*:1] c1ccc(nc1)-c1noc(n1)C1(CCOCC1)[*:1]
Clc1cccc(C2(c3nc(-c4ccccn4)no3)CCOCC2)c1 c1ccc(nc1)[*:1] Clc1cccc(c1)C1(CCOCC1)c1nc(no1)[*:1]
COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O c1coc(c1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nc2ccc(Cl)cc2s1
COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O O=C(c1ccco1)[*:1] COc1cc(ccc1O)[C@H]1C(=C([O-])C(=O)N1c1nc2ccc(Cl)cc2s1)[*:1]
COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O COc1cc(ccc1O)[*:1] O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1[*:1])c1ccco1
COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O Clc1ccc2nc(sc2c1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)c2ccco2)=C([O-])C(=O)N1[*:1]
Cc1ccc(CCNC(=O)NC[C@@H](O)c2c(F)cccc2F)cn1 Fc1cccc(F)c1[*:1] Cc1ccc(cn1)CCNC(=O)NC[C@@H](O)[*:1]
Cc1ccc(CCNC(=O)NC[C@@H](O)c2c(F)cccc2F)cn1 Cc1ccc(cn1)C[*:1] O=C(NC[C@@H](O)c1c(F)cccc1F)NC[*:1]
Cc1ccc(CCNC(=O)NC[C@@H](O)c2c(F)cccc2F)cn1 Cc1ccc(cn1)[*:1] O=C(NCC[*:1])NC[C@@H](O)c1c(F)cccc1F
CCN(C(=O)CNS(=O)(=O)c1cn(C)cn1)[C@H](C)c1ccc(F)cc1 Cn1cnc(c1)[*:1] CCN(C(=O)CNS(=O)(=O)[*:1])[C@H](C)c1ccc(F)cc1
CCN(C(=O)CNS(=O)(=O)c1cn(C)cn1)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)CNS(=O)(=O)c1cn(C)cn1)[C@H](C)[*:1]
Cc1ccc([C@H](O)CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)o1 Cc1ccc(o1)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)NC[C@@H](O)[*:1]
CCOC(=O)CN1CCC[C@]2(CC[NH2+]C2)C1 CCOC(=O)[*:1] C1CN(C[C@]2(C1)CC[NH2+]C2)C[*:1]
CC(C)C[NH2+]Cc1cncc(Oc2ccc(Cl)c(Cl)c2)n1 CC(C)[*:1] Clc1ccc(cc1Cl)Oc1cncc(C[NH2+]C[*:1])n1
CC(C)C[NH2+]Cc1cncc(Oc2ccc(Cl)c(Cl)c2)n1 CC(C)C[*:1] Clc1ccc(cc1Cl)Oc1cncc(C[NH2+][*:1])n1
C[C@H](C[NH2+]C1CCN(c2nccs2)CC1)Oc1ccccc1Cl c1csc(n1)[*:1] C[C@H](C[NH2+]C1CCN(CC1)[*:1])Oc1ccccc1Cl
C[C@H](C[NH2+]C1CCN(c2nccs2)CC1)Oc1ccccc1Cl Clc1ccccc1[*:1] C[C@H](C[NH2+]C1CCN(CC1)c1nccs1)O[*:1]
O=C1c2ccccc2N[C@@H](c2c[nH]c3ccccc23)N1Cc1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] O=C1c2ccccc2N[C@@H](N1Cc1ccccc1)[*:1]
O=C1c2ccccc2N[C@@H](c2c[nH]c3ccccc23)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2N[C@@H](c2c[nH]c3ccccc23)N1C[*:1]
O=C1c2ccccc2N[C@@H](c2c[nH]c3ccccc23)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1c2ccccc2N[C@@H](c2c[nH]c3ccccc23)N1[*:1]
O=C(Nc1cccc2ccccc12)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1cccc2ccccc12)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)NC2(c3ccccc3F)CC2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](CNC(=O)NC1(CC1)c1ccccc1F)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)NC2(c3ccccc3F)CC2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNC(=O)NC1(CC1)c1ccccc1F)C[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)NC2(c3ccccc3F)CC2)n1 Fc1ccccc1[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)NC2(CC2)[*:1])n1
COc1ccccc1NC1CCN([C@@H](C(N)=O)c2ccccc2)CC1 NC(=O)[*:1] COc1ccccc1NC1CCN(CC1)[C@@H](c1ccccc1)[*:1]
COc1ccccc1NC1CCN([C@@H](C(N)=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1NC1CCN(CC1)[C@@H](C(N)=O)[*:1]
COc1ccccc1NC1CCN([C@@H](C(N)=O)c2ccccc2)CC1 COc1ccccc1[*:1] NC(=O)[C@@H](c1ccccc1)N1CCC(CC1)N[*:1]
O=C(COc1nnc2ccccn12)NCCc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(COc1nnc2ccccn12)NCC[*:1]
CC(C)n1nc(O)c2c1N=C(O)CS[C@@H]2c1ccc2ncccc2c1 CC(C)[*:1] OC1CS[C@H](c2ccc3ncccc3c2)c2c(O)nn(c2N=1)[*:1]
COc1ccccc1[C@H](NC(=O)Cc1cccc2ccccc12)c1noc(C)n1 COc1ccccc1[*:1] Cc1nc(no1)[C@@H](NC(=O)Cc1cccc2ccccc12)[*:1]
C[C@@H]1CN(C(=O)CCC(=O)c2ccc(F)cc2F)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)[*:1])C(=O)CCC(=O)c1ccc(F)cc1F
C[C@@H]1CN(C(=O)CCC(=O)c2ccc(F)cc2F)C[C@H](c2ccccc2)O1 Fc1ccc(c(F)c1)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)CCC(=O)[*:1]
CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCSC2 CCOC(=O)[*:1] O=C(Nc1sc2CSCCc2c1[*:1])c1cccs1
CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCSC2 c1csc(c1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2CSCCc21
C[C@@H](CCCO)[NH2+][C@@H](C)CC(=O)[O-] OCCC[*:1] C[C@@H](CC(=O)[O-])[NH2+][C@H](C)[*:1]
C[C@@H](CCCO)[NH2+][C@@H](C)CC(=O)[O-] O=C([O-])[*:1] C[C@@H](CCCO)[NH2+][C@@H](C)C[*:1]
C[C@@H](CCCO)[NH2+][C@@H](C)CC(=O)[O-] O=C([O-])C[*:1] C[C@@H](CCCO)[NH2+][C@@H](C)[*:1]
C[C@@H](CCCO)[NH2+][C@@H](C)CC(=O)[O-] OCC[*:1] C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)C[*:1]
CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2c(F)cccc2Cl)NC(=O)N1 Brc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1c(F)cccc1Cl
CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2c(F)cccc2Cl)NC(=O)N1 Fc1cccc(Cl)c1[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccc(Br)cc1)[*:1]
O=C(NCCc1ccccc1F)N(Cc1ccco1)C[C@@H]1CCCO1 Fc1ccccc1[*:1] O=C(NCC[*:1])N(Cc1ccco1)C[C@@H]1CCCO1
O=C(NCCc1ccccc1F)N(Cc1ccco1)C[C@@H]1CCCO1 Fc1ccccc1C[*:1] O=C(NC[*:1])N(Cc1ccco1)C[C@@H]1CCCO1
O=C(NCCc1ccccc1F)N(Cc1ccco1)C[C@@H]1CCCO1 c1coc(c1)C[*:1] O=C(NCCc1ccccc1F)N(C[C@@H]1CCCO1)[*:1]
O=C(NCCc1ccccc1F)N(Cc1ccco1)C[C@@H]1CCCO1 c1coc(c1)[*:1] O=C(NCCc1ccccc1F)N(C[C@@H]1CCCO1)C[*:1]
Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)[*:1]
Cc1cccc(C)c1OCCNC(=O)COc1ccc2nccnc2c1 Cc1cccc(C)c1[*:1] O=C(COc1ccc2nccnc2c1)NCCO[*:1]
O=C(NCCCn1cccn1)c1cc2cc(Cl)ccc2[nH]1 c1cnn(c1)C[*:1] O=C(NCC[*:1])c1cc2cc(Cl)ccc2[nH]1
O=C(NCCCn1cccn1)c1cc2cc(Cl)ccc2[nH]1 c1cnn(c1)[*:1] O=C(NCCC[*:1])c1cc2cc(Cl)ccc2[nH]1
O=C(NCCCn1cccn1)c1cc2cc(Cl)ccc2[nH]1 c1cnn(c1)CC[*:1] O=C(NC[*:1])c1cc2cc(Cl)ccc2[nH]1
Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cs1 Cc1ccccc1[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1csc(c1)C(=O)N[*:1]
CNC(=O)c1ccc(CS[C@@H](C)C(=O)Nc2cc(C)on2)cc1 Cc1cc(no1)[*:1] CNC(=O)c1ccc(cc1)CS[C@@H](C)C(=O)N[*:1]
CNC(=O)c1ccc(CS[C@@H](C)C(=O)Nc2cc(C)on2)cc1 CNC(=O)[*:1] Cc1cc(no1)NC(=O)[C@H](C)SCc1ccc(cc1)[*:1]
C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccnc2c1[nH]c(=S)n2Cc1ccccn1 c1ccc(nc1)[*:1] Cc1ccnc2c1[nH]c(=S)n2C[*:1]
CCCN1C[C@@H](NC(=O)CCc2cc3n(n2)CCC[NH2+]C3)CC1=O CCC[*:1] O=C(CCc1cc2C[NH2+]CCCn2n1)N[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1cccc(OC2CCCC2)c1)c1ccc(F)cc1F C1CCC(C1)O[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(F)cc1F
O=C(Nc1cccc(OC2CCCC2)c1)c1ccc(F)cc1F C1CCC(C1)[*:1] O=C(Nc1cccc(c1)O[*:1])c1ccc(F)cc1F
CC(=O)C[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 CC(=O)[*:1] O=C(c1cc(F)cc(F)c1)N1CCC[C@@H]1C[*:1]
CC(=O)C[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 CC(=O)C[*:1] O=C(c1cc(F)cc(F)c1)N1CCC[C@@H]1[*:1]
CCOC[C@H](CSc1ccc(Br)cc1)[NH2+]C CCOC[*:1] C[NH2+][C@@H](CSc1ccc(Br)cc1)[*:1]
CCOC[C@H](CSc1ccc(Br)cc1)[NH2+]C CCO[*:1] C[NH2+][C@@H](CSc1ccc(Br)cc1)C[*:1]
O[C@@]1(C[NH+]2CCCC2)CCCN(Cc2ccncc2)C1 c1cc(ccn1)[*:1] O[C@]1(CCCN(C1)C[*:1])C[NH+]1CCCC1
Cc1cc(F)ccc1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1cc(F)ccc1NC(=O)[C@@H](C)NC(=O)O[*:1]
C[C@H](OC(=O)c1ccccc1CN1C(=O)CNC1=O)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] C[C@H](OC(=O)c1ccccc1CN1C(=O)CNC1=O)C(=O)N[*:1]
C[C@H](OC(=O)c1ccccc1CN1C(=O)CNC1=O)C(=O)NC1CCCCCC1 O=C1CNC(=O)N1C[*:1] C[C@H](OC(=O)c1ccccc1[*:1])C(=O)NC1CCCCCC1
C[C@H](OC(=O)c1ccccc1CN1C(=O)CNC1=O)C(=O)NC1CCCCCC1 O=C1CNC(=O)N1[*:1] C[C@H](OC(=O)c1ccccc1C[*:1])C(=O)NC1CCCCCC1
C[C@H](Sc1ccccc1Cl)C(=O)Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] C[C@H](Sc1ccccc1Cl)C(=O)Nc1nc(cs1)[*:1]
C[C@H](Sc1ccccc1Cl)C(=O)Nc1nc(-c2cccnc2)cs1 Clc1ccccc1[*:1] C[C@H](S[*:1])C(=O)Nc1nc(cs1)-c1cccnc1
C[C@H](Sc1ccccc1Cl)C(=O)Nc1nc(-c2cccnc2)cs1 Clc1ccccc1S[*:1] C[C@H](C(=O)Nc1nc(cs1)-c1cccnc1)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(C(=O)c2cccs2)CC1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)C(=O)c1cccs1
CCSC1(CNC(=O)CC2=CCCCC2)CCOCC1 CCS[*:1] O=C(CC1=CCCCC1)NCC1(CCOCC1)[*:1]
CCn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1N1CCOCC1 C1CN(CCO1)[*:1] CCn1c(nnc1[*:1])SCc1nc2ccsc2c(=O)[nH]1
CC(C)CNC(=O)c1cccc(CS(=O)(=O)c2nnc(C3CC3)n2C)c1 C1CC1[*:1] CC(C)CNC(=O)c1cccc(c1)CS(=O)(=O)c1nnc(n1C)[*:1]
CC(C)CNC(=O)c1cccc(CS(=O)(=O)c2nnc(C3CC3)n2C)c1 CC(C)[*:1] Cn1c(nnc1S(=O)(=O)Cc1cccc(c1)C(=O)NC[*:1])C1CC1
CC(C)CNC(=O)c1cccc(CS(=O)(=O)c2nnc(C3CC3)n2C)c1 CC(C)C[*:1] Cn1c(nnc1S(=O)(=O)Cc1cccc(c1)C(=O)N[*:1])C1CC1
CC(C)CNC(=O)c1cccc(CS(=O)(=O)c2nnc(C3CC3)n2C)c1 CC(C)CNC(=O)[*:1] Cn1c(nnc1S(=O)(=O)Cc1cccc(c1)[*:1])C1CC1
CC(C)c1nc(CN(C)C[C@H](C)c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)c1nc(CN(C)C[C@H](C)[*:1])no1
CC(C)c1nc(CN(C)C[C@H](C)c2ccccc2)no1 CC(C)[*:1] C[C@@H](CN(C)Cc1noc(n1)[*:1])c1ccccc1
CNC(=O)c1ccc(Cl)cc1N[C@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] CNC(=O)c1ccc(Cl)cc1N[C@H]1CCN(C1=O)[*:1]
CNC(=O)c1ccc(Cl)cc1N[C@H]1CCN(c2ccccc2F)C1=O CNC(=O)[*:1] O=C1[C@H](CCN1c1ccccc1F)Nc1cc(Cl)ccc1[*:1]
Cn1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 FC(F)(F)[*:1] Cn1cc(-c2nc(no2)-c2cccc(c2)[*:1])c(=O)c2cc(F)c(cc21)N1CCCCC1
Cn1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 C1CCN(CC1)[*:1] Cn1cc(-c2nc(no2)-c2cccc(c2)C(F)(F)F)c(=O)c2cc(F)c(cc21)[*:1]
Cn1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 FC(F)(F)c1cccc(c1)[*:1] Cn1cc(-c2nc(no2)[*:1])c(=O)c2cc(F)c(cc21)N1CCCCC1
C[C@@H](SCc1ccccc1)[C@H](C)C(=O)NN NNC(=O)[*:1] C[C@@H](SCc1ccccc1)[C@H](C)[*:1]
COc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccccc3Br)sc2c1 Brc1ccccc1[*:1] COc1ccc2nc(NC(=O)CCNS(=O)(=O)[*:1])sc2c1
Cn1c(CN2CCCCc3cc(Br)ccc32)nnc1C1CC1 C1CC1[*:1] Cn1c(CN2CCCCc3cc(Br)ccc32)nnc1[*:1]
C[C@@H](Sc1ccccn1)C(=O)NCCOc1cccc(Cl)c1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)NCCOc1cccc(Cl)c1
C[C@@H](Sc1ccccn1)C(=O)NCCOc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](Sc1ccccn1)C(=O)NCCO[*:1]
C[C@@H](Sc1ccccn1)C(=O)NCCOc1cccc(Cl)c1 c1ccc(nc1)S[*:1] C[C@@H](C(=O)NCCOc1cccc(Cl)c1)[*:1]
Cc1c(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])CN1C(=O)C(=O)N(C[*:1])C1=O
Cc1c(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] c1ccc(cc1)C[*:1] Cc1c(cccc1[N+](=O)[O-])CN1C(=O)C(=O)N(C1=O)[*:1]
Cc1c(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
COC(=O)C1=C(C)N=C(C(=O)N2CCC(CC(=O)NCc3ccc(Cl)cc3)CC2)[C@@H]1C Clc1ccc(cc1)C[*:1] COC(=O)C1=C(C)N=C(C(=O)N2CCC(CC2)CC(=O)N[*:1])[C@@H]1C
COC(=O)C1=C(C)N=C(C(=O)N2CCC(CC(=O)NCc3ccc(Cl)cc3)CC2)[C@@H]1C COC(=O)[*:1] CC1N=C(C(=O)N2CCC(CC2)CC(=O)NCc2ccc(Cl)cc2)[C@H](C)C=1[*:1]
COC(=O)C1=C(C)N=C(C(=O)N2CCC(CC(=O)NCc3ccc(Cl)cc3)CC2)[C@@H]1C Clc1ccc(cc1)[*:1] COC(=O)C1=C(C)N=C(C(=O)N2CCC(CC2)CC(=O)NC[*:1])[C@@H]1C
COC(=O)[C@@H]1CN(C(=O)N2CCC[C@@H](C)C2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)N1CCC[C@@H](C)C1
Cc1c(NC(=O)C[NH+](C)CC(C)C)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)C[NH+](C)CC(C)C
Cc1c(NC(=O)C[NH+](C)CC(C)C)cccc1[N+](=O)[O-] CC(C)C[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)C[NH+](C)[*:1]
Cc1c(NC(=O)C[NH+](C)CC(C)C)cccc1[N+](=O)[O-] CC(C)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)C[NH+](C)C[*:1]
CCCCn1c(=O)[nH]c2cc([C@@H]3N[C@@H](c4ccccc4C)NO3)ccc2c1=O CCC[*:1] Cc1ccccc1[C@H]1NO[C@@H](N1)c1ccc2c(=O)n(C[*:1])c(=O)[nH]c2c1
CCCCn1c(=O)[nH]c2cc([C@@H]3N[C@@H](c4ccccc4C)NO3)ccc2c1=O CCCC[*:1] Cc1ccccc1[C@H]1NO[C@@H](N1)c1ccc2c(=O)n(c(=O)[nH]c2c1)[*:1]
CCCCn1c(=O)[nH]c2cc([C@@H]3N[C@@H](c4ccccc4C)NO3)ccc2c1=O Cc1ccccc1[*:1] CCCCn1c(=O)[nH]c2cc(ccc2c1=O)[C@@H]1N[C@@H](NO1)[*:1]
Cc1cccc(N2CC[NH+](CC3(CO)COC3)CC2)c1 OCC1(COC1)[*:1] Cc1cccc(c1)N1CC[NH+](CC1)C[*:1]
CCc1nnc(C(=O)Nc2cccc(C(=O)NCc3cccc(C)c3)c2)s1 CCc1nnc(s1)[*:1] Cc1cccc(c1)CNC(=O)c1cccc(c1)NC(=O)[*:1]
CCc1nnc(C(=O)Nc2cccc(C(=O)NCc3cccc(C)c3)c2)s1 Cc1cccc(c1)[*:1] CCc1nnc(s1)C(=O)Nc1cccc(c1)C(=O)NC[*:1]
CCc1nnc(C(=O)Nc2cccc(C(=O)NCc3cccc(C)c3)c2)s1 Cc1cccc(c1)C[*:1] CCc1nnc(s1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CCc1cc2oc(=O)cc(CSc3nncn3-c3ccccc3)c2cc1Cl c1ccc(cc1)[*:1] CCc1cc2oc(=O)cc(CSc3nncn3[*:1])c2cc1Cl
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1sc2ccccc2c1Cl Clc1c(sc2ccccc12)[*:1] CCOc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCOCC1
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1sc2ccccc2c1Cl O=S(=O)(N1CCOCC1)[*:1] CCOc1ccc(cc1NC(=O)c1sc2ccccc2c1Cl)[*:1]
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1sc2ccccc2c1Cl CCO[*:1] O=C(Nc1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1)c1sc2ccccc2c1Cl
CC(C)OC[C@H]1CC[C@H](O)[C@H]1C CC(C)O[*:1] C[C@@H]1[C@@H](O)CC[C@@H]1C[*:1]
CC(C)OC[C@H]1CC[C@H](O)[C@H]1C CC(C)[*:1] C[C@@H]1[C@@H](O)CC[C@@H]1CO[*:1]
Cc1c(NC(=O)Cc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C Brc1ccc(cc1)C[*:1] Cc1c(NC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)Cc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)Cc2ccc(Br)cc2)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)Cc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C Brc1ccc(cc1)[*:1] Cc1c(NC(=O)C[*:1])c(=O)n(-c2ccccc2)n1C
COc1ccc(CNC(=O)Cn2cnc3c(N4CCOCC4)nc(Cl)nc32)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)CNC(=O)Cn1cnc2c(nc(Cl)nc21)[*:1]
COc1ccc(CNC(=O)Cn2cnc3c(N4CCOCC4)nc(Cl)nc32)cc1 COc1ccc(cc1)[*:1] O=C(Cn1cnc2c(nc(Cl)nc21)N1CCOCC1)NC[*:1]
COc1ccc(CNC(=O)Cn2cnc3c(N4CCOCC4)nc(Cl)nc32)cc1 COc1ccc(cc1)C[*:1] O=C(Cn1cnc2c(nc(Cl)nc21)N1CCOCC1)N[*:1]
CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2nnc(C3CC3)s2)c1 C1CC1[*:1] CN(C)S(=O)(=O)c1ccc(F)c(c1)C(=O)Nc1nnc(s1)[*:1]
CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2nnc(C3CC3)s2)c1 CN(C)S(=O)(=O)[*:1] O=C(Nc1nnc(s1)C1CC1)c1cc(ccc1F)[*:1]
CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2nnc(C3CC3)s2)c1 C1CC1c1nnc(s1)[*:1] CN(C)S(=O)(=O)c1ccc(F)c(c1)C(=O)N[*:1]
NC(=O)[C@H](OC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](OC(=O)Cc1csc(n1)-c1cccc(Cl)c1)[*:1]
NC(=O)[C@H](OC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 NC(=O)[*:1] O=C(Cc1csc(n1)-c1cccc(Cl)c1)O[C@H](c1ccccc1)[*:1]
NC(=O)[C@H](OC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 Clc1cccc(c1)[*:1] NC(=O)[C@H](OC(=O)Cc1csc(n1)[*:1])c1ccccc1
Cc1n[nH]c(C)c1NC(=O)CN1CCc2cc(F)ccc2C1 Cc1n[nH]c(C)c1[*:1] O=C(CN1CCc2cc(F)ccc2C1)N[*:1]
CCCCS(=O)(=O)[N-]c1ccc2c[nH]nc2c1 CCCC[*:1] O=S(=O)([N-]c1ccc2c[nH]nc2c1)[*:1]
CCCCS(=O)(=O)[N-]c1ccc2c[nH]nc2c1 CCC[*:1] O=S(=O)(C[*:1])[N-]c1ccc2c[nH]nc2c1
CC(C)C1C[NH+](CCN2CC[NH2+]CC2)C1 CC(C)[*:1] C1CN(CC[NH2+]1)CC[NH+]1CC(C1)[*:1]
COc1ccc2[nH]cc(CCNC(=O)c3occc3C)c2c1 Cc1ccoc1[*:1] COc1ccc2[nH]cc(CCNC(=O)[*:1])c2c1
CCN(CCC#N)C(=O)c1ccc(-c2ccc(Br)cc2)s1 N#CC[*:1] CCN(C[*:1])C(=O)c1ccc(s1)-c1ccc(Br)cc1
CCN(CCC#N)C(=O)c1ccc(-c2ccc(Br)cc2)s1 N#CCC[*:1] CCN(C(=O)c1ccc(s1)-c1ccc(Br)cc1)[*:1]
CCN(CCC#N)C(=O)c1ccc(-c2ccc(Br)cc2)s1 Brc1ccc(cc1)[*:1] CCN(CCC#N)C(=O)c1ccc(s1)[*:1]
CCN(C(=O)c1cnns1)c1nc2ccccc2s1 c1nnsc1[*:1] CCN(C(=O)[*:1])c1nc2ccccc2s1
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@H]3C[C@H](O)[C@@]2(O)C1 CC(=O)O[*:1] CC(=O)[C@]12CCCC[C@H]1C[C@H]1[C@H]3C[C@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@@H]3CC[C@@]12C)[*:1]
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@H]3C[C@H](O)[C@@]2(O)C1 CC(=O)[*:1] CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@@]54[*:1])[C@H]3C[C@H](O)[C@@]2(O)C1
Nc1cc(C(=O)[O-])ccc1N1CC2(CCOCC2)C1 O=C([O-])[*:1] Nc1cc(ccc1N1CC2(CCOCC2)C1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)Nc1cccnc1 c1cncc(c1)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)N[*:1]
O=C(N[C@H]1C[C@@H](CO)[C@H](O)C1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(N[C@H]1C[C@@H](CO)[C@H](O)C1)c1ccc(cc1)[*:1]
O=C(N[C@H]1C[C@@H](CO)[C@H](O)C1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(N[C@H]1C[C@@H](CO)[C@H](O)C1)c1ccc(cc1)O[*:1]
C/C=C/C=C/C(=O)N[C@H](C)c1c(F)cccc1Cl CC=C[*:1] C[C@@H](NC(=O)C=C[*:1])c1c(F)cccc1Cl
C/C=C/C=C/C(=O)N[C@H](C)c1c(F)cccc1Cl C/C=C/C=C[*:1] C[C@@H](NC(=O)[*:1])c1c(F)cccc1Cl
CC[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc2c(c1)CCO2 Cn1cc(cn1)[*:1] CC[C@H](N[C@@H]1CCN(C1=O)[*:1])c1ccc2OCCc2c1
Cc1cc(F)cc(C(=O)Nc2cccc(OCc3cscn3)c2)c1 Cc1cc(F)cc(c1)[*:1] O=C(Nc1cccc(c1)OCc1cscn1)[*:1]
Cc1cc(F)cc(C(=O)Nc2cccc(OCc3cscn3)c2)c1 c1nc(cs1)CO[*:1] Cc1cc(F)cc(c1)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(F)cc(C(=O)Nc2cccc(OCc3cscn3)c2)c1 c1nc(cs1)[*:1] Cc1cc(F)cc(c1)C(=O)Nc1cccc(c1)OC[*:1]
Cc1cc(F)cc(C(=O)Nc2cccc(OCc3cscn3)c2)c1 c1nc(cs1)C[*:1] Cc1cc(F)cc(c1)C(=O)Nc1cccc(c1)O[*:1]
Cn1c(C(F)(F)F)nc2c3nsnc3ccc21 FC(F)(F)[*:1] Cn1c(nc2c3nsnc3ccc21)[*:1]
COC(=O)c1cc(C)sc1NC(=O)N1[C@H](C)COC[C@H]1C COC(=O)[*:1] Cc1cc(c(NC(=O)N2[C@H](C)COC[C@H]2C)s1)[*:1]
O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3Cl)CC2)cs1)c1ccc[nH]c1=O O=C(N[*:1])c1ccc[nH]c1=O O=C(Cc1csc(n1)[*:1])N1CCN(CC1)c1ccccc1Cl
O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3Cl)CC2)cs1)c1ccc[nH]c1=O O=c1[nH]cccc1[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])N1CCN(CC1)c1ccccc1Cl
O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3Cl)CC2)cs1)c1ccc[nH]c1=O Clc1ccccc1[*:1] O=C(Nc1nc(cs1)CC(=O)N1CCN(CC1)[*:1])c1ccc[nH]c1=O
Cc1ccc(-c2ncc(C(=O)[O-])c(Nc3ccccc3)n2)cc1 c1ccc(cc1)N[*:1] Cc1ccc(cc1)-c1ncc(C(=O)[O-])c(n1)[*:1]
Cc1ccc(-c2ncc(C(=O)[O-])c(Nc3ccccc3)n2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1ncc(c(n1)Nc1ccccc1)[*:1]
Cc1ccc(-c2ncc(C(=O)[O-])c(Nc3ccccc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])c1cnc(nc1Nc1ccccc1)[*:1]
Cc1ccc(-c2ncc(C(=O)[O-])c(Nc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1ncc(C(=O)[O-])c(n1)N[*:1]
CC(C)[C@@H](CO)N[C@@H](C)CC#N N#CC[*:1] CC(C)[C@@H](CO)N[C@@H](C)[*:1]
CC(C)[C@@H](CO)N[C@@H](C)CC#N CC(C)[*:1] C[C@@H](CC#N)N[C@H](CO)[*:1]
Cc1ccc(Oc2ccc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 Cc1ccc(cc1)O[*:1] O=C(COc1ccc(cc1)[*:1])N[C@@H]1CCS(=O)(=O)C1
Cc1ccc(Oc2ccc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(cc1)O[*:1])N[C@@H]1CCS(=O)(=O)C1
CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)Cc1cccc2ccccc12 CCO[*:1] O=C(Cc1cccc2ccccc12)NNC(=O)[C@H]1C[C@H]1[*:1]
O=C(c1ccc(Cl)cn1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] O=C(c1ccc(Cl)cn1)N(C[C@H]1CCCO1)[*:1]
O=C(c1ccc(Cl)cn1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 Clc1ccc(nc1)[*:1] O=C(N(C[C@H]1CCCO1)[C@@H]1CCSC1)[*:1]
O=C(c1ccc(Cl)cn1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)[*:1] O=C(c1ccc(Cl)cn1)N(C[*:1])[C@@H]1CCSC1
O=C(c1ccc(Cl)cn1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)C[*:1] O=C(c1ccc(Cl)cn1)N([C@@H]1CCSC1)[*:1]
CCc1ccc(Nc2nc(C(=O)NCC[NH+]3CCCC3)nc3ccccc23)cc1 CCc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCCC1)c1nc(N[*:1])c2ccccc2n1
CCc1ccc(Nc2nc(C(=O)NCC[NH+]3CCCC3)nc3ccccc23)cc1 CCc1ccc(cc1)N[*:1] O=C(NCC[NH+]1CCCC1)c1nc(c2ccccc2n1)[*:1]
COc1ccc([C@@H](NC(=O)N[C@H](C(N)=O)c2ccccc2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[C@H](C(N)=O)c1ccccc1)[*:1]
COc1ccc([C@@H](NC(=O)N[C@H](C(N)=O)c2ccccc2)C2CC2)cc1 COc1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)N[C@@H](C1CC1)[*:1])c1ccccc1
COc1ccc([C@@H](NC(=O)N[C@H](C(N)=O)c2ccccc2)C2CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[C@H](C(N)=O)[*:1])C1CC1
COc1ccc([C@@H](NC(=O)N[C@H](C(N)=O)c2ccccc2)C2CC2)cc1 NC(=O)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[C@H](c1ccccc1)[*:1])C1CC1
CC[C@](C)([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)[O-])CC1 C[C@H](C(=O)[O-])[*:1] CC[C@](C)([NH3+])C(=O)N1CC[NH+](CC1)[*:1]
CC[C@](C)([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)[O-])CC1 O=C([O-])[*:1] CC[C@](C)([NH3+])C(=O)N1CC[NH+](CC1)[C@H](C)[*:1]
CC[C@](C)([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)[O-])CC1 CC[C@](C)([NH3+])[*:1] C[C@H](C(=O)[O-])[NH+]1CCN(CC1)C(=O)[*:1]
COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(OCC(N)=O)cc1 COC[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@@H](c4ccc(cc4)OCC(N)=O)c3c(=O)c2cc1C
COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(OCC(N)=O)cc1 NC(=O)CO[*:1] COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(cc1)[*:1]
COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(OCC(N)=O)cc1 NC(=O)[*:1] COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(cc1)OC[*:1]
COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(OCC(N)=O)cc1 NC(=O)C[*:1] COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(cc1)O[*:1]
COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(OCC(N)=O)cc1 COCC[*:1] Cc1cc2oc3C(=O)N([C@@H](c4ccc(cc4)OCC(N)=O)c3c(=O)c2cc1C)[*:1]
O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)Nc1ccc(CCO)cc1 OCCc1ccc(cc1)[*:1] O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)N[*:1]
O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)Nc1ccc(CCO)cc1 OCC[*:1] O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)Nc1ccc(cc1)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1 CN1C[C@@H](CC1=O)[*:1] COC(=O)[C@@H](C)[C@@H](NC(=O)[*:1])c1ccccc1
COC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1 COC(=O)[C@@H](C)[*:1] CN1C[C@@H](CC1=O)C(=O)N[C@@H](c1ccccc1)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1 COC(=O)[*:1] C[C@@H]([C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)[*:1]
COc1cccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1OC(F)F FC(F)[*:1] COc1cccc(C(=O)Nc2cccc(c2)CN2CC[NH+](C)CC2)c1O[*:1]
COc1cccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1OC(F)F FC(F)O[*:1] COc1cccc(C(=O)Nc2cccc(c2)CN2CC[NH+](C)CC2)c1[*:1]
Cc1cc(NC(=O)CSC2=NN[C@@H]([C@@H]3N=NC4=C3CCC4)N2N)ccc1Br Cc1cc(ccc1Br)[*:1] NN1C(=NN[C@H]1[C@@H]1N=NC2CCCC=21)SCC(=O)N[*:1]
O=C(/C=C/c1ccccc1)C[C@](O)(c1ccccc1)C(F)(F)C(F)F FC(F)C(F)(F)[*:1] O=C(/C=C/c1ccccc1)C[C@](O)(c1ccccc1)[*:1]
O=C(/C=C/c1ccccc1)C[C@](O)(c1ccccc1)C(F)(F)C(F)F c1ccc(cc1)[*:1] O=C(C=C[*:1])C[C@](O)(c1ccccc1)C(F)(F)C(F)F
O=C(/C=C/c1ccccc1)C[C@](O)(c1ccccc1)C(F)(F)C(F)F FC(F)[*:1] O=C(/C=C/c1ccccc1)C[C@](O)(c1ccccc1)C(F)(F)[*:1]
O=C(/C=C/c1ccccc1)C[C@](O)(c1ccccc1)C(F)(F)C(F)F C(=C[*:1])c1ccccc1 O=C(C[C@](O)(c1ccccc1)C(F)(F)C(F)F)[*:1]
O=C(/C=C/c1ccccc1)C[C@](O)(c1ccccc1)C(F)(F)C(F)F c1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1)C[C@](O)(C(F)(F)C(F)F)[*:1]
Cc1ccc(NC(=O)C[C@H](c2cccc(C)c2)n2cccc2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)[C@@H](CC(=O)N[*:1])n1cccc1
Cc1ccc(NC(=O)C[C@H](c2cccc(C)c2)n2cccc2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)C[C@H](n1cccc1)[*:1]
Cc1ccc(NC(=O)C[C@H](c2cccc(C)c2)n2cccc2)cc1 c1ccn(c1)[*:1] Cc1ccc(cc1)NC(=O)C[C@H](c1cccc(C)c1)[*:1]
CSc1cccc(NC(=O)c2cc(C)c(C#CCN)s2)c1 NCC#C[*:1] CSc1cccc(c1)NC(=O)c1cc(C)c(s1)[*:1]
O=C1S[C@H](Nc2ccccc2)C(=O)N1Cc1ccccc1 c1ccc(cc1)N[*:1] O=C1S[C@H](C(=O)N1Cc1ccccc1)[*:1]
O=C1S[C@H](Nc2ccccc2)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1S[C@H](N[*:1])C(=O)N1Cc1ccccc1
O=C1S[C@H](Nc2ccccc2)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1S[C@H](Nc2ccccc2)C(=O)N1C[*:1]
O=C1S[C@H](Nc2ccccc2)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1S[C@H](Nc2ccccc2)C(=O)N1[*:1]
CN(Cc1ccc2nsnc2c1)C(=O)c1ccccc1-n1cncn1 c1ncn(n1)[*:1] CN(Cc1ccc2nsnc2c1)C(=O)c1ccccc1[*:1]
O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
CCN(C(=O)Nc1cccnc1Cl)[C@@H](C)C(C)C CC(C)[*:1] CCN(C(=O)Nc1cccnc1Cl)[C@@H](C)[*:1]
CCN(C(=O)Nc1cccnc1Cl)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCN(C(=O)Nc1cccnc1Cl)[*:1]
Cc1cnc(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)o1 Cc1ccccc1[*:1] Cc1cnc(CN2C[C@@H](OC[C@H]2C)[*:1])o1
Cc1cnc(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)o1 Cc1cnc(o1)[*:1] Cc1ccccc1[C@@H]1CN(C[*:1])[C@H](C)CO1
Cc1cnc(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)o1 Cc1cnc(C[*:1])o1 Cc1ccccc1[C@@H]1CN([C@H](C)CO1)[*:1]
O=C1N/C(=N\N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1N/C(=N\N=C\c2ccc(o2)-c2cccc(c2)C(F)(F)F)S[C@H]1[*:1]
O=C1N/C(=N\N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S[C@@H]1Cc1ccccc1 FC(F)(F)c1cccc(c1)[*:1] O=C1N/C(=N\N=C\c2ccc(o2)[*:1])S[C@@H]1Cc1ccccc1
O=C1N/C(=N\N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S[C@@H]1Cc1ccccc1 FC(F)(F)[*:1] O=C1N/C(=N\N=C\c2ccc(o2)-c2cccc(c2)[*:1])S[C@@H]1Cc1ccccc1
O=C1N/C(=N\N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1N/C(=N\N=C\c2ccc(o2)-c2cccc(c2)C(F)(F)F)S[C@@H]1C[*:1]
COc1cc(OC)cc(-c2nnc(S[C@H](C)C(=O)c3ccc(F)cc3)o2)c1 O=C(c1ccc(F)cc1)[*:1] COc1cc(cc(c1)-c1nnc(o1)S[C@H](C)[*:1])OC
COc1cc(OC)cc(-c2nnc(S[C@H](C)C(=O)c3ccc(F)cc3)o2)c1 Fc1ccc(cc1)[*:1] COc1cc(cc(c1)-c1nnc(o1)S[C@H](C)C(=O)[*:1])OC
COc1ccc(F)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 Cc1ccc(s1)[*:1] COc1ccc(F)cc1NC(=O)[C@@H]1C[C@@H]1[*:1]
Cc1cc2nc(C)c(CCC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)c(C)n2n1 N#Cc1ccc(cc1)[*:1] Cc1cc2nc(C)c(CCC(=O)Oc3ccc(cc3)[*:1])c(C)n2n1
C=CCNC(=O)c1ccc(NC(=O)C2CCC2)cc1 C1CC(C1)[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)[*:1]
C=CCNC(=O)c1ccc(NC(=O)C2CCC2)cc1 C=CCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCC1
C=CCNC(=O)c1ccc(NC(=O)C2CCC2)cc1 C=CC[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)C1CCC1
CC(=O)Nc1ccc(C[NH2+][C@@H](C)Cc2cccs2)cc1 c1csc(c1)[*:1] CC(=O)Nc1ccc(cc1)C[NH2+][C@@H](C)C[*:1]
CC(=O)Nc1ccc(C[NH2+][C@@H](C)Cc2cccs2)cc1 CC(=O)N[*:1] C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C[NH2+][C@@H](C)Cc2cccs2)cc1 c1csc(c1)C[*:1] CC(=O)Nc1ccc(cc1)C[NH2+][C@@H](C)[*:1]
C[C@@H](C(N)=O)N1CC[NH+](Cc2cccc3cn[nH]c23)CC1 NC(=O)[*:1] C[C@@H](N1CC[NH+](CC1)Cc1cccc2cn[nH]c12)[*:1]
C[C@@H](C(N)=O)N1CC[NH+](Cc2cccc3cn[nH]c23)CC1 C[C@@H](C(N)=O)[*:1] c1cc(C[NH+]2CCN(CC2)[*:1])c2[nH]ncc2c1
CCOc1ccccc1NC(=O)c1ccc(OCc2nccn2C)cc1 Cn1ccnc1C[*:1] CCOc1ccccc1NC(=O)c1ccc(cc1)O[*:1]
CCOc1ccccc1NC(=O)c1ccc(OCc2nccn2C)cc1 CCO[*:1] Cn1ccnc1COc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)c1ccc(OCc2nccn2C)cc1 Cn1ccnc1[*:1] CCOc1ccccc1NC(=O)c1ccc(cc1)OC[*:1]
CCOc1ccccc1NC(=O)c1ccc(OCc2nccn2C)cc1 Cn1ccnc1CO[*:1] CCOc1ccccc1NC(=O)c1ccc(cc1)[*:1]
CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(C)o1)c1nc(C)cs1 COC(=O)[*:1] CC[C@H](NS(=O)(=O)c1cc(c(C)o1)[*:1])c1nc(C)cs1
CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(C)o1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(C)o1)[*:1]
Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2F)n1 Fc1ccccc1[*:1] Cc1cc(C)c(C#N)c(n1)SCC(=O)N[*:1]
CCOC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N(C)c1sc(-c3ccccc3)c([O-])[n+]12 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N(C)c1sc(c([O-])[n+]12)[*:1]
CCOC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N(C)c1sc(-c3ccccc3)c([O-])[n+]12 CCOC(=O)[*:1] CN1c2sc(-c3ccccc3)c([O-])[n+]2[C@@H]2c3ccccc3O[C@@]1(C)[C@H]2[*:1]
Cc1cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c(C)n1C1CC1 Clc1ccc(cc1)[*:1] Cc1cc(C(=O)NCCc2nc(no2)[*:1])c(C)n1C1CC1
Cc1cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)NCCc2nc(no2)-c2ccc(Cl)cc2)c(C)n1[*:1]
CC(C)Oc1ccc(NC2=[NH+]N=C(c3ccc4c(c3)CCC(=O)N4)CS2)cc1 CC(C)[*:1] O=C1CCc2cc(ccc2N1)C1CSC(Nc2ccc(cc2)O[*:1])=[NH+]N=1
CC(C)Oc1ccc(NC2=[NH+]N=C(c3ccc4c(c3)CCC(=O)N4)CS2)cc1 CC(C)O[*:1] O=C1CCc2cc(ccc2N1)C1CSC(Nc2ccc(cc2)[*:1])=[NH+]N=1
NC(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] NC(=O)COc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
NC(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1cccc(c1)[N+](=O)[O-]
NC(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 NC(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cccc(c1)[N+](=O)[O-]
NC(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 NC(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccn1 CC(C)[*:1] O=C(NCc1ccccn1)[C@H](NC(=O)N1CCN(CC1)c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccn1 c1ccc(C[*:1])nc1 CC(C)[C@@H](NC(=O)N1CCN(CC1)c1ccccc1)C(=O)N[*:1]
CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)N1CCN(CC1)c1ccccc1)C(=O)NC[*:1]
CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccn1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N1CCN(CC1)[*:1])C(=O)NCc1ccccn1
C[C@H](Cl)[C@H](C)c1ccc(Cl)cc1Cl C[C@H](Cl)[*:1] C[C@H](c1ccc(Cl)cc1Cl)[*:1]
Cc1cc(O[C@H](C)C(=O)Nc2cnn(C)c2)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])O[C@H](C)C(=O)Nc1cnn(C)c1
Cc1cc(O[C@H](C)C(=O)Nc2cnn(C)c2)ccc1C(C)C Cn1cc(cn1)[*:1] Cc1cc(ccc1C(C)C)O[C@H](C)C(=O)N[*:1]
COCc1nnc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)s1 COCc1nnc(s1)[*:1] CN1C(=O)N(CC(=O)N[*:1])C(=O)C12CCCCC2
COCc1nnc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)s1 COC[*:1] CN1C(=O)N(CC(=O)Nc2nnc(s2)[*:1])C(=O)C12CCCCC2
O=C(N[C@@H](c1ccccc1)c1cccs1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(N[C@@H](c1cccs1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(N[C@@H](c1ccccc1)c1cccs1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](c1ccccc1)c1cccs1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(N[C@@H](c1ccccc1)c1cccs1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1csc(c1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Cc1c(C(=O)N/N=C/c2c(F)cccc2Cl)nnn1-c1nonc1N Fc1cccc(Cl)c1[*:1] Cc1c(nnn1-c1nonc1N)C(=O)NN=C[*:1]
Cc1c(C(=O)N/N=C/c2c(F)cccc2Cl)nnn1-c1nonc1N Nc1nonc1[*:1] Cc1c(nnn1[*:1])C(=O)N/N=C/c1c(F)cccc1Cl
COc1ccccc1CNc1nc(-c2ccc(C)cc2)cs1 Cc1ccc(cc1)[*:1] COc1ccccc1CNc1nc(cs1)[*:1]
CC(C)[C@H](NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccccn1 CC(C)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N[C@H](c1ccccn1)[*:1]
CC(C)[C@H](NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
Cc1cc(F)ccc1CCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N CC(C)[*:1] Cc1cc(F)ccc1CCNC(=O)C(=O)Nc1nn(cc1C#N)[*:1]
Cc1cc(F)ccc1CCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N Cc1cc(F)ccc1[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)NCC[*:1]
CC(C)N(C)c1cccc(NC(=O)c2cccc(-n3nc([O-])ccc3=O)c2)c1 CC(C)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)-n1nc([O-])ccc1=O
CC(C)N(C)c1cccc(NC(=O)c2cccc(-n3nc([O-])ccc3=O)c2)c1 CC(C)[*:1] CN(c1cccc(c1)NC(=O)c1cccc(c1)-n1nc([O-])ccc1=O)[*:1]
C[C@H]1C[C@H](Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC(C)(C)C1 Clc1ccccc1[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
C[C@H]1C[C@H](Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC(C)(C)C1 Clc1ccccc1C[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
Cc1cc(C)c(NC(=O)Cn2cc(-c3ccccc3)cn2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)Cn2cc(cn2)[*:1])c(C)c1
CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCN(Cc3cccs3)CC2)cc1 c1csc(c1)[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)C[NH+]1CCN(CC1)C[*:1]
CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCN(Cc3cccs3)CC2)cc1 c1csc(c1)C[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)C[NH+]1CCN(CC1)[*:1]
CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCN(Cc3cccs3)CC2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](NC(=O)C[NH+]1CCN(CC1)Cc1cccs1)[*:1]
Cn1cccc(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1=O c1ccc(cc1)[*:1] Cn1cccc(NC(=O)C(=O)N2CC[C@H](C2)C[*:1])c1=O
Cn1cccc(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1=O Cn1cccc(c1=O)[*:1] O=C(N[*:1])C(=O)N1CC[C@@H](Cc2ccccc2)C1
Cn1cccc(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1=O c1ccc(cc1)C[*:1] Cn1cccc(NC(=O)C(=O)N2CC[C@@H](C2)[*:1])c1=O
COc1cc(F)cc(CNC(=O)CCCc2csc(C)n2)c1 Cc1nc(cs1)[*:1] COc1cc(F)cc(c1)CNC(=O)CCC[*:1]
COc1cc(F)cc(CNC(=O)CCCc2csc(C)n2)c1 Cc1nc(cs1)C[*:1] COc1cc(F)cc(c1)CNC(=O)CC[*:1]
Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCc1cccc(F)c1)C1CC1 Fc1cccc(c1)[*:1] Cc1nc(cn1CC(=O)N(CC[*:1])C1CC1)[N+](=O)[O-]
Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCc1cccc(F)c1)C1CC1 C1CC1[*:1] Cc1nc(cn1CC(=O)N(CCc1cccc(F)c1)[*:1])[N+](=O)[O-]
Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCc1cccc(F)c1)C1CC1 Fc1cccc(c1)C[*:1] Cc1nc(cn1CC(=O)N(C[*:1])C1CC1)[N+](=O)[O-]
Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCc1cccc(F)c1)C1CC1 O=[N+]([O-])[*:1] Cc1nc(cn1CC(=O)N(CCc1cccc(F)c1)C1CC1)[*:1]
c1nc(Sc2nnnn2C[C@H]2CCCO2)c2c3c(sc2n1)CCCC3 C1CO[C@H](C1)C[*:1] c1nc(Sc2nnnn2[*:1])c2c3CCCCc3sc2n1
c1nc(Sc2nnnn2C[C@H]2CCCO2)c2c3c(sc2n1)CCCC3 C1CO[C@H](C1)[*:1] c1nc(Sc2nnnn2C[*:1])c2c3CCCCc3sc2n1
CC[C@H](C)CN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C(C)C CC[C@H](C)[*:1] CC(C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1C[*:1]
CC[C@H](C)CN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C(C)C CC[C@H](C)C[*:1] CC(C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1[*:1]
CC[C@H](C)CN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C(C)C CC(C)[*:1] CC[C@H](C)CN1C(=O)[C@H]2CCCN2C(=O)[C@H]1[*:1]
COCc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)s1 COCc1ccc(s1)[*:1] O=C1C[C@@H](CN1Cc1cccc(F)c1)NC(=O)[*:1]
COCc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)s1 Fc1cccc(c1)C[*:1] COCc1ccc(s1)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
COCc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)s1 Fc1cccc(c1)[*:1] COCc1ccc(s1)C(=O)N[C@H]1CC(=O)N(C1)C[*:1]
COCc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)s1 COC[*:1] O=C(N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1ccc(s1)[*:1]
Cc1cnn(C[C@H](C)[NH2+]Cc2csc(-c3cnn(C)c3)n2)c1 Cc1cnn(c1)[*:1] C[C@@H](C[*:1])[NH2+]Cc1csc(n1)-c1cnn(C)c1
Cc1cnn(C[C@H](C)[NH2+]Cc2csc(-c3cnn(C)c3)n2)c1 Cc1cnn(c1)C[*:1] C[C@H]([NH2+]Cc1csc(n1)-c1cnn(C)c1)[*:1]
Cc1cnn(C[C@H](C)[NH2+]Cc2csc(-c3cnn(C)c3)n2)c1 Cn1cc(cn1)[*:1] Cc1cnn(c1)C[C@H](C)[NH2+]Cc1csc(n1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCC[C@H]1[*:1]
CC[C@@H](Nc1cc(-c2nc(C(C)C)no2)ccn1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](Nc1cc(ccn1)-c1nc(no1)C(C)C)[*:1]
CC[C@@H](Nc1cc(-c2nc(C(C)C)no2)ccn1)c1ccncc1 CC(C)c1noc(n1)[*:1] CC[C@@H](Nc1cc(ccn1)[*:1])c1ccncc1
CC[C@@H](Nc1cc(-c2nc(C(C)C)no2)ccn1)c1ccncc1 CC(C)[*:1] CC[C@@H](Nc1cc(ccn1)-c1nc(no1)[*:1])c1ccncc1
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@H](C)Cn3cc[nH+]c3C)cnc21 CCC[*:1] Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2[*:1]
O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCCC[C@@H]3CO2)c(Cl)c1 O=[N+]([O-])[*:1] Clc1cc(cnc1NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
O=C1C[C@H](C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c2ccc(F)cc2N1 FC(F)(F)[*:1] O=C1C[C@H](C(=O)N[C@H](C[*:1])c2ccc(F)cc2)c2ccc(F)cc2N1
O=C1C[C@H](C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c2ccc(F)cc2N1 FC(F)(F)C[*:1] O=C1C[C@H](C(=O)N[C@H](c2ccc(F)cc2)[*:1])c2ccc(F)cc2N1
O=C1C[C@H](C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c2ccc(F)cc2N1 Fc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[C@H](CC(F)(F)F)[*:1])c2ccc(F)cc2N1
Cc1noc([C@@H](OC(=O)c2cnccn2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@@H](OC(=O)c1cnccn1)[*:1]
Cc1noc([C@@H](OC(=O)c2cnccn2)c2ccccc2)n1 c1cnc(cn1)[*:1] Cc1noc(n1)[C@@H](OC(=O)[*:1])c1ccccc1
Cc1noc([C@@H](OC(=O)c2cnccn2)c2ccccc2)n1 Cc1noc(n1)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])c1cnccn1
Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 Cc1nccn1[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 CC(C)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOCc1cccc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1 CCO[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)Nc1cccc(c1)C[*:1]
CCOCc1cccc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1 CCOC[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)Nc1cccc(c1)[*:1]
CCOCc1cccc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1 c1cnc(nc1)[*:1] CCOCc1cccc(c1)NC(=O)NC[C@H]1CCCN(C1)[*:1]
CC(C)c1cc(C(=O)N2CCOC(C)(C)C2)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)N1CCOC(C)(C)C1
CC(C)c1cc(C(=O)N2CCOC(C)(C)C2)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)c1cc(C(=O)N2CCOC(C)(C)C2)c2cnn(c2n1)[*:1]
CC(=O)Nc1ccc(SCc2csc(-c3ccoc3)n2)cc1 c1cc(co1)[*:1] CC(=O)Nc1ccc(cc1)SCc1csc(n1)[*:1]
CC(=O)Nc1ccc(SCc2csc(-c3ccoc3)n2)cc1 CC(=O)N[*:1] c1cc(co1)-c1nc(cs1)CSc1ccc(cc1)[*:1]
Cc1cc(C(=O)OCc2ccc(F)cc2Br)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)OCc1ccc(F)cc1Br
Cc1cc(C(=O)OCc2ccc(F)cc2Br)cc(S(N)(=O)=O)c1C Fc1ccc(c(Br)c1)[*:1] Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)OC[*:1]
C[C@H]1COCCN1C(=O)NCc1cccs1 c1csc(c1)[*:1] C[C@H]1COCCN1C(=O)NC[*:1]
Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1Cl C1CCN(C1)[*:1] Cc1ccc(cc1Cl)C(=O)Nc1cccc(Cl)c1[*:1]
C[C@H]1CCC[C@H]([NH2+][C@@H](C)C2(C)CC2)C1 CC1(CC1)[*:1] C[C@H]1CCC[C@@H](C1)[NH2+][C@@H](C)[*:1]
COc1ccc(NC(=O)c2nnc(C(=O)NCc3cccc(OC)c3)s2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)c1nnc(s1)C(=O)NC[*:1]
COc1ccc(NC(=O)c2nnc(C(=O)NCc3cccc(OC)c3)s2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)c1nnc(s1)C(=O)N[*:1]
COc1ccc(NC(=O)c2nnc(C(=O)NCc3cccc(OC)c3)s2)cc1 COc1cccc(c1)C[*:1] COc1ccc(cc1)NC(=O)c1nnc(s1)C(=O)N[*:1]
COc1cccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)c1 COc1cccc(c1)C[*:1] CN1C(=O)CO[C@H](C(=O)N[*:1])[C@H]1c1ccccc1F
COc1cccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)c1 COc1cccc(c1)[*:1] CN1C(=O)CO[C@H](C(=O)NC[*:1])[C@H]1c1ccccc1F
COc1cccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)c1 Fc1ccccc1[*:1] COc1cccc(c1)CNC(=O)[C@H]1OCC(=O)N(C)[C@H]1[*:1]
Nc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ccc(cc1[*:1])C(=O)NCC#Cc1cccc(c1)C(F)(F)F
Nc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] FC(F)(F)[*:1] Nc1ccc(cc1[N+](=O)[O-])C(=O)NCC#Cc1cccc(c1)[*:1]
C=CCSc1ccccc1NCc1ccc([O-])c[nH+]1 C=CC[*:1] [O-]c1ccc(CNc2ccccc2S[*:1])[nH+]c1
C=CCSc1ccccc1NCc1ccc([O-])c[nH+]1 C=CCS[*:1] [O-]c1ccc(CNc2ccccc2[*:1])[nH+]c1
CC(C)[C@H](C(=O)Nc1cccnc1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(Nc1cccnc1)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC(C)[C@H](C(=O)Nc1cccnc1)N1C(=O)c2ccccc2C1=O c1cncc(c1)[*:1] CC(C)[C@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CC(=O)OCC(=O)C1=c2ccccc2=[NH+][C@H]1c1ccccc1 CC(=O)O[*:1] O=C(C[*:1])C1=c2ccccc2=[NH+][C@H]1c1ccccc1
CC(=O)OCC(=O)C1=c2ccccc2=[NH+][C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)OCC(=O)C1=c2ccccc2=[NH+][C@@H]1[*:1]
CC(=O)OCC(=O)C1=c2ccccc2=[NH+][C@H]1c1ccccc1 CC(=O)OC[*:1] O=C(C1=c2ccccc2=[NH+][C@H]1c1ccccc1)[*:1]
CC(=O)OCC(=O)C1=c2ccccc2=[NH+][C@H]1c1ccccc1 CC(=O)OCC(=O)[*:1] c1ccc(cc1)[C@@H]1[NH+]=c2ccccc2=C1[*:1]
CCCn1cc[nH+]c1C[C@@](C)([NH3+])c1cccc(F)c1 CCC[*:1] C[C@@]([NH3+])(Cc1[nH+]ccn1[*:1])c1cccc(F)c1
CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2N)CC1 FC(F)(F)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1N)[*:1]
Cc1ccc(C)c(OCCn2nc(C(C)(C)C)ccc2=O)c1 CC(C)(C)[*:1] Cc1ccc(C)c(c1)OCCn1nc(ccc1=O)[*:1]
O=C1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 O=[N+]([O-])[*:1] O=C1CCC[C@H](C1)Oc1ccc(cc1Cl)[*:1]
Nc1nc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cs1 Clc1ccc(cc1)[*:1] Nc1nc(cs1)-c1ccc(cc1)NC(=O)[*:1]
Nc1nc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cs1 Nc1nc(cs1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
Cc1ccc(F)c(C(=O)c2cc(C(F)(F)F)ccc2F)c1 FC(F)(F)[*:1] Cc1ccc(F)c(c1)C(=O)c1cc(ccc1F)[*:1]
CCCc1cc(O)nc(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)n1 C[C@H](c1ccccc1)[*:1] CCCc1cc(O)nc(n1)S[C@H](C)C(=O)N[*:1]
CCCc1cc(O)nc(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)n1 c1ccc(cc1)[*:1] CCCc1cc(O)nc(n1)S[C@H](C)C(=O)N[C@H](C)[*:1]
CCCc1cc(O)nc(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)n1 CCC[*:1] C[C@@H](Sc1nc(O)cc(n1)[*:1])C(=O)N[C@H](C)c1ccccc1
c1ccc(COc2ccc(CSC3=NCCS3)cc2)nc1 c1ccc(nc1)[*:1] c1cc(ccc1CSC1=NCCS1)OC[*:1]
c1ccc(COc2ccc(CSC3=NCCS3)cc2)nc1 c1ccc(C[*:1])nc1 c1cc(ccc1CSC1=NCCS1)O[*:1]
COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(I)cc3C)o2)cc1 COc1ccc(cc1)[*:1] Cc1cc(I)cc(C)c1NC(=O)CSc1nnc(o1)[*:1]
COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(I)cc3C)o2)cc1 Cc1cc(I)cc(C)c1[*:1] COc1ccc(cc1)-c1nnc(o1)SCC(=O)N[*:1]
Cc1ccc(SCC(=O)NNC(=O)C[C@](C)(O)C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] C[C@](O)(CC(=O)NNC(=O)CS[*:1])C(F)(F)F
Cc1ccc(SCC(=O)NNC(=O)C[C@](C)(O)C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)SCC(=O)NNC(=O)C[C@](C)(O)[*:1]
C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12 c1ccc(cc1)C[*:1] C[C@H](CCO)N(S(=O)(=O)c1cccc2cccnc12)[*:1]
C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12 OCC[*:1] C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12)[*:1]
C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12 c1ccc(cc1)[*:1] C[C@H](CCO)N(C[*:1])S(=O)(=O)c1cccc2cccnc12
C[NH+](C)CCNC(=O)OC(C)(C)C CC(C)(C)[*:1] C[NH+](C)CCNC(=O)O[*:1]
O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1)NCc1ccccc1 c1coc(c1)[*:1] O=C(CN1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)C[*:1])NCc1ccccc1
O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] O=C1C[C@@H](CN1Cc1ccco1)C(=O)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CCN(CC1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)N[*:1]
O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1)NCc1ccccc1 c1coc(c1)C[*:1] O=C(CN1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1])NCc1ccccc1
O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)NC[*:1]
N#CC1=C(N)Oc2[nH]c(-c3ccccc3)nc2[C@@H]1c1ccc(OCC(N)=O)cc1 NC(=O)CO[*:1] N#CC1=C(N)Oc2[nH]c(nc2[C@@H]1c1ccc(cc1)[*:1])-c1ccccc1
N#CC1=C(N)Oc2[nH]c(-c3ccccc3)nc2[C@@H]1c1ccc(OCC(N)=O)cc1 NC(=O)C[*:1] N#CC1=C(N)Oc2[nH]c(nc2[C@@H]1c1ccc(cc1)O[*:1])-c1ccccc1
N#CC1=C(N)Oc2[nH]c(-c3ccccc3)nc2[C@@H]1c1ccc(OCC(N)=O)cc1 c1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]c(nc2[C@@H]1c1ccc(cc1)OCC(N)=O)[*:1]
N#CC1=C(N)Oc2[nH]c(-c3ccccc3)nc2[C@@H]1c1ccc(OCC(N)=O)cc1 NC(=O)[*:1] N#CC1=C(N)Oc2[nH]c(nc2[C@@H]1c1ccc(cc1)OC[*:1])-c1ccccc1
CC(C)(C)OC(=O)CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 CC(C)(C)OC(=O)[*:1] O=C(NC[*:1])Nc1ccc(c(Cl)c1)[N+](=O)[O-]
CC(C)(C)OC(=O)CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)CNC(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(C)(C)OC(=O)CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 CC(C)(C)[*:1] O=C(NCC(=O)O[*:1])Nc1ccc(c(Cl)c1)[N+](=O)[O-]
Cc1ccc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1C Cc1ccc(cc1C)[*:1] C[C@H](NC(=O)Cn1cc(ccc1=O)[N+](=O)[O-])[*:1]
Cc1ccc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)[C@H](C)NC(=O)Cn1cc(ccc1=O)[*:1]
O=C(CSc1nncs1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 c1nnc(SC[*:1])s1 O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)[*:1]
O=C(CSc1nncs1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(CSc1nncs1)NC[C@H](c1ccc(Cl)cc1)[*:1]
O=C(CSc1nncs1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 Clc1ccc(cc1)[*:1] O=C(CSc1nncs1)NC[C@H](N1CCOCC1)[*:1]
O=C(CSc1nncs1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 c1nnc(S[*:1])s1 O=C(C[*:1])NC[C@H](c1ccc(Cl)cc1)N1CCOCC1
O=C(CSc1nncs1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 c1nnc(s1)[*:1] O=C(CS[*:1])NC[C@H](c1ccc(Cl)cc1)N1CCOCC1
N#Cc1ccc(OC(=O)c2cccc(N3CCCC3=O)c2)c(Cl)c1 O=C1CCCN1[*:1] N#Cc1ccc(OC(=O)c2cccc(c2)[*:1])c(Cl)c1
COC(=O)C1(NC(=O)c2ccn3cncc3c2)CCSCC1 COC(=O)[*:1] O=C(NC1(CCSCC1)[*:1])c1ccn2cncc2c1
COc1ccc(CCn2c([O-])c(C(=O)c3ccccc3C)c(C)c(C#N)c2=O)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(CC[*:1])c1[O-]
COc1ccc(CCn2c([O-])c(C(=O)c3ccccc3C)c(C)c(C#N)c2=O)cc1OC Cc1ccccc1C(=O)[*:1] COc1ccc(cc1OC)CCn1c([O-])c(c(C)c(C#N)c1=O)[*:1]
COc1ccc(CCn2c([O-])c(C(=O)c3ccccc3C)c(C)c(C#N)c2=O)cc1OC Cc1ccccc1[*:1] COc1ccc(cc1OC)CCn1c([O-])c(C(=O)[*:1])c(C)c(C#N)c1=O
C[C@H](c1ccco1)N(C(=O)N[C@@H]1CCc2c(O)cccc21)C1CC1 c1coc(c1)[*:1] C[C@H](N(C(=O)N[C@@H]1CCc2c(O)cccc21)C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)N[C@@H]1CCc2c(O)cccc21)C1CC1 C[C@H](c1ccco1)[*:1] O=C(N[C@@H]1CCc2c(O)cccc21)N(C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)N[C@@H]1CCc2c(O)cccc21)C1CC1 C1CC1[*:1] C[C@H](c1ccco1)N(C(=O)N[C@@H]1CCc2c(O)cccc21)[*:1]
CNC(=O)c1ccc(CS(=O)(=O)[C@H](C)C(=O)NCc2cccs2)cc1 c1csc(c1)C[*:1] CNC(=O)c1ccc(cc1)CS(=O)(=O)[C@H](C)C(=O)N[*:1]
CNC(=O)c1ccc(CS(=O)(=O)[C@H](C)C(=O)NCc2cccs2)cc1 c1csc(c1)[*:1] CNC(=O)c1ccc(cc1)CS(=O)(=O)[C@H](C)C(=O)NC[*:1]
CNC(=O)c1ccc(CS(=O)(=O)[C@H](C)C(=O)NCc2cccs2)cc1 CNC(=O)[*:1] C[C@H](C(=O)NCc1cccs1)S(=O)(=O)Cc1ccc(cc1)[*:1]
COCc1ccccc1CNC(=O)N[C@H](c1ccc(C)cc1)C1CC1 Cc1ccc(cc1)[*:1] COCc1ccccc1CNC(=O)N[C@H](C1CC1)[*:1]
COCc1ccccc1CNC(=O)N[C@H](c1ccc(C)cc1)C1CC1 C1CC1[*:1] COCc1ccccc1CNC(=O)N[C@H](c1ccc(C)cc1)[*:1]
COCc1ccccc1CNC(=O)N[C@H](c1ccc(C)cc1)C1CC1 COC[*:1] Cc1ccc(cc1)[C@@H](NC(=O)NCc1ccccc1[*:1])C1CC1
C[C@@H](Oc1ccc(Br)cc1)C(=O)OCCc1cccnc1 Brc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)OCCc1cccnc1
C[C@@H](Oc1ccc(Br)cc1)C(=O)OCCc1cccnc1 c1cncc(c1)C[*:1] C[C@@H](Oc1ccc(Br)cc1)C(=O)OC[*:1]
C[C@@H](Oc1ccc(Br)cc1)C(=O)OCCc1cccnc1 c1cncc(c1)[*:1] C[C@@H](Oc1ccc(Br)cc1)C(=O)OCC[*:1]
O=C([C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CCCCC1 c1ccc(cc1)[*:1] O=C([C@H]1CCC(=O)N1S(=O)(=O)[*:1])N1CCCCC1
N#CCc1cccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)c1 c1ccc(cc1)[*:1] N#CCc1cccc(c1)C(=O)N[C@H]1CCC[C@H]1C[*:1]
N#CCc1cccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)c1 N#CC[*:1] O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cccc(c1)[*:1]
N#CCc1cccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] N#CCc1cccc(c1)C(=O)N[C@H]1CCC[C@@H]1[*:1]
CN(C(=O)c1cccc(Nc2cnn(C)c2)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(C(=O)c1cccc(c1)Nc1cnn(C)c1)[*:1]
CN(C(=O)c1cccc(Nc2cnn(C)c2)c1)c1cccc(F)c1 Cn1cc(cn1)N[*:1] CN(C(=O)c1cccc(c1)[*:1])c1cccc(F)c1
CN(C(=O)c1cccc(Nc2cnn(C)c2)c1)c1cccc(F)c1 Cn1cc(cn1)[*:1] CN(C(=O)c1cccc(c1)N[*:1])c1cccc(F)c1
CC(=O)Nc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)OCC(=O)N[C@@H](C)[*:1]
CC(=O)Nc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 CC(=O)N[*:1] C[C@H](NC(=O)COc1ccc(cc1)[*:1])c1ccccc1
Cc1ccc(NC(=O)N2CCC[C@H](C)CC2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CCC[C@H](C)CC1
COc1ccc(-n2nc(C(=O)N(C)[C@H]3CCC[C@H](C)C3)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)N(C)[C@H]1CCC[C@H](C)C1
CC(=O)Nc1cccc(-n2c(SCc3nc4ccccc4c(=O)n3CC#N)nnc2C2CC2)c1 C1CC1[*:1] CC(=O)Nc1cccc(c1)-n1c(nnc1[*:1])SCc1nc2ccccc2c(=O)n1CC#N
CC(=O)Nc1cccc(-n2c(SCc3nc4ccccc4c(=O)n3CC#N)nnc2C2CC2)c1 CC(=O)Nc1cccc(c1)[*:1] N#CCn1c(CSc2nnc(C3CC3)n2[*:1])nc2ccccc2c1=O
CC(=O)Nc1cccc(-n2c(SCc3nc4ccccc4c(=O)n3CC#N)nnc2C2CC2)c1 N#CC[*:1] CC(=O)Nc1cccc(c1)-n1c(nnc1C1CC1)SCc1nc2ccccc2c(=O)n1[*:1]
CC(=O)Nc1cccc(-n2c(SCc3nc4ccccc4c(=O)n3CC#N)nnc2C2CC2)c1 CC(=O)N[*:1] N#CCn1c(CSc2nnc(C3CC3)n2-c2cccc(c2)[*:1])nc2ccccc2c1=O
Cc1cc(C)n(-c2nc([O-])cc(-c3ccncc3)n2)n1 c1cc(ccn1)[*:1] Cc1cc(C)n(n1)-c1nc([O-])cc(n1)[*:1]
O=C(C[NH+]1CCC([NH+]2CCCC2)CC1)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C(C[NH+]1CCC(CC1)[NH+]1CCCC1)N1CCN(CC1)[*:1]
O=C(C[NH+]1CCC([NH+]2CCCC2)CC1)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] O=C(C[NH+]1CCC(CC1)[NH+]1CCCC1)N1CCN(CC1)C[*:1]
CCCOc1cc(O[C@@H]2CC[C@@H]([NH3+])C2)ncn1 CCC[*:1] [NH3+][C@@H]1CC[C@H](C1)Oc1cc(ncn1)O[*:1]
CCCOc1cc(O[C@@H]2CC[C@@H]([NH3+])C2)ncn1 CCCO[*:1] [NH3+][C@@H]1CC[C@H](C1)Oc1cc(ncn1)[*:1]
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)cc(C)c1O COCC[*:1] Cc1cc(C)c(O)c(c1)C(=O)N(Cc1ccc(C#N)cc1)[*:1]
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)cc(C)c1O N#Cc1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)c1cc(C)cc(C)c1O
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)cc(C)c1O COC[*:1] Cc1cc(C)c(O)c(c1)C(=O)N(Cc1ccc(C#N)cc1)C[*:1]
O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H]2CCCC[C@@H]21 O=[N+]([O-])[*:1] O=C(NCCc1ccccc1[*:1])N1CC[C@@H]2CCCC[C@@H]21
CN1C(=O)[C@]2(CC[NH2+][C@@H]2c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CN1C(=O)[C@]2(CC[NH2+][C@H]2[*:1])c2ccccc21
CCOc1cc(CNC(=O)c2nnn(-c3cccc(Cl)c3)c2CC)ccn1 CCOc1cc(ccn1)[*:1] CCc1c(nnn1-c1cccc(Cl)c1)C(=O)NC[*:1]
CCOc1cc(CNC(=O)c2nnn(-c3cccc(Cl)c3)c2CC)ccn1 CCO[*:1] CCc1c(nnn1-c1cccc(Cl)c1)C(=O)NCc1ccnc(c1)[*:1]
CCOc1cc(CNC(=O)c2nnn(-c3cccc(Cl)c3)c2CC)ccn1 Clc1cccc(c1)[*:1] CCOc1cc(ccn1)CNC(=O)c1nnn(c1CC)[*:1]
CCOCCN(C)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 CCOCC[*:1] CN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)[*:1]
CCOCCN(C)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 CCOC[*:1] CN(C[*:1])C(=O)[C@@H]1Cc2ccccc2C(=O)O1
CCOCCN(C)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 CCO[*:1] CN(CC[*:1])C(=O)[C@@H]1Cc2ccccc2C(=O)O1
NC(=O)c1ccc(Cl)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 NC(=O)[*:1] O=C(CCc1cccc(c1)[N+](=O)[O-])Nc1cc(ccc1Cl)[*:1]
NC(=O)c1ccc(Cl)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(Cl)c(c1)NC(=O)CCc1cccc(c1)[*:1]
Cc1[nH+]cn(C[C@H](C)NCc2nc(C(F)(F)F)cs2)c1C FC(F)(F)[*:1] Cc1[nH+]cn(C[C@H](C)NCc2nc(cs2)[*:1])c1C
Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cs1 O=[N+]([O-])[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)c1ccc(cc1Cl)[*:1]
Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)c1ccc(=O)n(C)n1 Cn1nc(ccc1=O)[*:1] Cc1nc(ncc1[C@H](C)NC(=O)[*:1])N1CCCCCCC1
Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)c1ccc(=O)n(C)n1 C1CCCN(CCC1)[*:1] Cc1nc(ncc1[C@H](C)NC(=O)c1ccc(=O)n(C)n1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 O=C(N[*:1])c1ccoc1 C[C@H](C(=O)Nc1ccc(cc1)[C@@]1(C)NC(=O)NC1=O)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1ccc(cc1)[C@@]1(C)NC(=O)NC1=O
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 C[C@]1(NC(=O)NC1=O)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)NNC(=O)c1ccc2OCCOc2c1
CN(Cc1ccc(F)cc1F)C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CN(Cc1ccc(F)cc1F)C(=O)[C@](C)(N)[*:1]
Cn1ccnc1C(=O)c1ccc(NC(=O)CCSc2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)S[*:1] Cn1ccnc1C(=O)c1ccc(cc1)NC(=O)CC[*:1]
Cn1ccnc1C(=O)c1ccc(NC(=O)CCSc2ccc(F)c(F)c2)cc1 Cn1ccnc1C(=O)[*:1] O=C(CCSc1ccc(F)c(F)c1)Nc1ccc(cc1)[*:1]
Cn1ccnc1C(=O)c1ccc(NC(=O)CCSc2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] Cn1ccnc1C(=O)c1ccc(cc1)NC(=O)CCS[*:1]
Cn1ccnc1C(=O)c1ccc(NC(=O)CCSc2ccc(F)c(F)c2)cc1 Cn1ccnc1[*:1] O=C(CCSc1ccc(F)c(F)c1)Nc1ccc(cc1)C(=O)[*:1]
CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(cc1)[*:1]
CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 Clc1ccc(cc1)[*:1] CNC(=O)C(=C[*:1])NC(=O)c1ccc(cc1)[N+](=O)[O-]
CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 CNC(=O)[*:1] O=C(N/C(=C/c1ccc(Cl)cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC[C@](O)(C(=O)[O-])[C@@H](C)c1ccc(C)s1 O=C([O-])[*:1] CC[C@](O)([C@@H](C)c1ccc(C)s1)[*:1]
CCc1nc(OCC(=O)NCc2cccc(C)c2)c2c(-c3ccccc3)noc2n1 c1ccc(cc1)[*:1] CCc1nc(OCC(=O)NCc2cccc(C)c2)c2c(noc2n1)[*:1]
CCc1nc(OCC(=O)NCc2cccc(C)c2)c2c(-c3ccccc3)noc2n1 Cc1cccc(c1)[*:1] CCc1nc(OCC(=O)NC[*:1])c2c(noc2n1)-c1ccccc1
CCc1nc(OCC(=O)NCc2cccc(C)c2)c2c(-c3ccccc3)noc2n1 Cc1cccc(c1)C[*:1] CCc1nc(OCC(=O)N[*:1])c2c(noc2n1)-c1ccccc1
CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)c1ccccc1F)CCO2 CC(C)[*:1] OC[C@@H]([NH2+][C@H]1CCOc2ccc(cc21)[*:1])c1ccccc1F
CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)c1ccccc1F)CCO2 Fc1ccccc1[*:1] CC(C)c1ccc2OCC[C@H]([NH2+][C@H](CO)[*:1])c2c1
COc1cc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)ccc1C Fc1ccc(cc1)[*:1] COc1cc(ccc1C)C(=O)NC[C@@](C)(O)[*:1]
CC[C@H](Sc1ccc2nnc(C(F)F)n2n1)c1ccccc1 FC(F)[*:1] CC[C@H](Sc1ccc2nnc(n2n1)[*:1])c1ccccc1
CC[C@H](Sc1ccc2nnc(C(F)F)n2n1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](Sc1ccc2nnc(C(F)F)n2n1)[*:1]
C[NH+](C1CCS(=O)CC1)C1CCC(C)(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+](C1CCS(=O)CC1)C1CCC(C)(CC1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1Br c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccccc1Br
CC(C)(CNC(=O)N1CCC[C@@H]1CN1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)N1CCC[C@@H]1C[*:1])c1ccccc1
CC(C)(CNC(=O)N1CCC[C@@H]1CN1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)N1CCC[C@@H]1CN1CCOCC1)[*:1]
CC(C)(CNC(=O)N1CCC[C@@H]1CN1CCOCC1)c1ccccc1 C1CN(CCO1)C[*:1] CC(C)(CNC(=O)N1CCC[C@H]1[*:1])c1ccccc1
C[C@@H](Cc1cccs1)NC(=O)CCOC1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](Cc1cccs1)NC(=O)CCO[*:1]
C[C@@H](Cc1cccs1)NC(=O)CCOC1CCOCC1 c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)CCOC1CCOCC1
C[C@@H](Cc1cccs1)NC(=O)CCOC1CCOCC1 c1csc(c1)C[*:1] C[C@@H](NC(=O)CCOC1CCOCC1)[*:1]
COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccccc1OC1CCC1 C1CC(C1)[*:1] COc1cc(ccc1NC(=O)c1ccccc1O[*:1])C(=O)N(C)C
COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccccc1OC1CCC1 CN(C)C(=O)[*:1] COc1cc(ccc1NC(=O)c1ccccc1OC1CCC1)[*:1]
COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccccc1OC1CCC1 C1CC(C1)O[*:1] COc1cc(ccc1NC(=O)c1ccccc1[*:1])C(=O)N(C)C
CC(C)[C@H]1CCC[C@](O)(Cc2[nH+]ccn2C)CC1 CC(C)[*:1] Cn1cc[nH+]c1C[C@@]1(O)CCC[C@@H](CC1)[*:1]
COC(=O)c1cc(CNC(=O)c2ccccc2)ccc1OC c1ccc(cc1)[*:1] COC(=O)c1cc(ccc1OC)CNC(=O)[*:1]
COC(=O)c1cc(CNC(=O)c2ccccc2)ccc1OC COC(=O)[*:1] COc1ccc(cc1[*:1])CNC(=O)c1ccccc1
CC1(C)CN(C(=O)c2scnc2C2CC2)c2ccccc2O1 C1CC1[*:1] CC1(C)CN(C(=O)c2scnc2[*:1])c2ccccc2O1
CC[C@](C)(NC(=O)N1CCC[C@@H](C)C1)C(N)=S NC(=S)[*:1] CC[C@](C)(NC(=O)N1CCC[C@@H](C)C1)[*:1]
CCCCNC(=O)C(=O)Nc1ccc(CC#N)cc1 CCCC[*:1] N#CCc1ccc(cc1)NC(=O)C(=O)N[*:1]
CCCCNC(=O)C(=O)Nc1ccc(CC#N)cc1 CCC[*:1] N#CCc1ccc(cc1)NC(=O)C(=O)NC[*:1]
CCCCNC(=O)C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] CCCCNC(=O)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(N2Cc3nn(CC(=O)NCc4cccc(OC)c4)c(=O)n3C2=O)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)N1Cc2nn(CC(=O)NC[*:1])c(=O)n2C1=O
COc1ccc(N2Cc3nn(CC(=O)NCc4cccc(OC)c4)c(=O)n3C2=O)cc1 COc1cccc(c1)C[*:1] COc1ccc(cc1)N1Cc2nn(CC(=O)N[*:1])c(=O)n2C1=O
COc1ccc(N2Cc3nn(CC(=O)NCc4cccc(OC)c4)c(=O)n3C2=O)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)Cn1nc2CN(C(=O)n2c1=O)[*:1]
O=C(C[S@](=O)Cc1coc(-c2cccc(F)c2)n1)N1CCCc2ccccc21 Fc1cccc(c1)[*:1] O=C(C[S@](=O)Cc1coc(n1)[*:1])N1CCCc2ccccc21
O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N[*:1]
O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=c1[nH]c(nc2scc(-c3ccccc3)c12)SC[*:1]
O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)NC1CCCC1 c1ccc(cc1)[*:1] O=C(CSc1nc2scc(c2c(=O)[nH]1)[*:1])NC1CCCC1
CCOc1cccc(NC(=O)CCc2ccc(C)o2)c1 Cc1ccc(o1)[*:1] CCOc1cccc(c1)NC(=O)CC[*:1]
CCOc1cccc(NC(=O)CCc2ccc(C)o2)c1 CCO[*:1] Cc1ccc(CCC(=O)Nc2cccc(c2)[*:1])o1
C[C@H](Nc1[nH]c2ccccc2[nH+]1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](Nc1[nH]c2ccccc2[nH+]1)c1ccc(cc1)[*:1]
CC[NH+](CC)[C@@H]1CCN(Cc2noc(Cc3ccccc3)n2)C1 c1ccc(cc1)C[*:1] CC[NH+](CC)[C@@H]1CCN(Cc2noc(n2)[*:1])C1
CC[NH+](CC)[C@@H]1CCN(Cc2noc(Cc3ccccc3)n2)C1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@@H]1CCN(Cc2noc(C[*:1])n2)C1
Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cn1C Cc1nc(cn1C)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cn1C c1coc(c1)[*:1] Cc1nc(cn1C)S(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(NC(=O)COc2ccccc2C)c(N)c1 Cc1ccccc1[*:1] COc1ccc(NC(=O)CO[*:1])c(N)c1
COc1ccc(CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1OC COc1ccc(cc1OC)[*:1] O=C(NC[*:1])c1ccc2c(=O)n3CCCCCc3nc2c1
CC(C)(C)NC(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 CC(C)(C)[*:1] O=C(N[*:1])N1CCCSC[C@H]1C[NH+]1CCCCC1
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(Cl)c(c1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(c1ccc(Cl)c(c1)[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)c(=O)[nH]c12 CC(C)(C)[*:1] Cc1cccc2cc(c(=O)[nH]c12)[C@@H](c1nnnn1[*:1])N1CCCc2ccccc21
Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)c(=O)[nH]c12 CC(C)(C)n1nnnc1[*:1] Cc1cccc2cc(c(=O)[nH]c12)[C@@H](N1CCCc2ccccc21)[*:1]
Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)c(=O)[nH]c12 c1ccc2c(c1)CCCN2[*:1] Cc1cccc2cc(c(=O)[nH]c12)[C@@H](c1nnnn1C(C)(C)C)[*:1]
CC(C)CCN1C(=O)Cc2c1nc(N)c1c(N)nc(N3C[C@@H](C)O[C@H](C)C3)c(C#N)c21 CC(C)C[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1nc(N)c2c(N)nc3c(CC(=O)N3C[*:1])c2c1C#N
CC(C)CCN1C(=O)Cc2c1nc(N)c1c(N)nc(N3C[C@@H](C)O[C@H](C)C3)c(C#N)c21 CC(C)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1nc(N)c2c(N)nc3c(CC(=O)N3CC[*:1])c2c1C#N
CC(C)CCN1C(=O)Cc2c1nc(N)c1c(N)nc(N3C[C@@H](C)O[C@H](C)C3)c(C#N)c21 CC(C)CC[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1nc(N)c2c(N)nc3c(CC(=O)N3[*:1])c2c1C#N
O=C(OCc1nc(C2CC2)cs1)c1sccc1Br Brc1ccsc1[*:1] O=C(OCc1nc(cs1)C1CC1)[*:1]
O=C(OCc1nc(C2CC2)cs1)c1sccc1Br C1CC1[*:1] O=C(OCc1nc(cs1)[*:1])c1sccc1Br
CCN(Cc1ccccc1C)C(=O)[C@H](NC(C)=O)C1CCCC1 C1CCC(C1)[*:1] CCN(Cc1ccccc1C)C(=O)[C@H](NC(C)=O)[*:1]
CCN(Cc1ccccc1C)C(=O)[C@H](NC(C)=O)C1CCCC1 Cc1ccccc1[*:1] CCN(C[*:1])C(=O)[C@H](NC(C)=O)C1CCCC1
CCN(Cc1ccccc1C)C(=O)[C@H](NC(C)=O)C1CCCC1 CC(=O)N[*:1] CCN(Cc1ccccc1C)C(=O)[C@H](C1CCCC1)[*:1]
O=C(Oc1ccc2ccc(=O)oc2c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Oc1ccc2ccc(=O)oc2c1)[*:1]
CCC(=O)N[C@H]1C[C@@H]2C(=O)Nc3c(C)cccc3[C@H]2OC1=O CCC(=O)N[*:1] Cc1cccc2c1NC(=O)[C@H]1C[C@@H](C(=O)O[C@H]21)[*:1]
CC(C)(C)C[C@H](NC(=O)Cn1cnnn1)c1ccc(F)cc1 c1nnnn1C[*:1] CC(C)(C)C[C@H](NC(=O)[*:1])c1ccc(F)cc1
CC(C)(C)C[C@H](NC(=O)Cn1cnnn1)c1ccc(F)cc1 CC(C)(C)[*:1] O=C(Cn1cnnn1)N[C@@H](C[*:1])c1ccc(F)cc1
CC(C)(C)C[C@H](NC(=O)Cn1cnnn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)C[C@H](NC(=O)Cn1cnnn1)[*:1]
CC(C)(C)C[C@H](NC(=O)Cn1cnnn1)c1ccc(F)cc1 c1nnnn1[*:1] CC(C)(C)C[C@H](NC(=O)C[*:1])c1ccc(F)cc1
CC(C)(C)C[C@H](NC(=O)Cn1cnnn1)c1ccc(F)cc1 CC(C)(C)C[*:1] O=C(Cn1cnnn1)N[C@H](c1ccc(F)cc1)[*:1]
CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)NCCc4cccs4)C3)nn12 CC(C)[*:1] O=C(NCCc1cccs1)[C@@H]1CCCN(C1)c1ccc2nnc(n2n1)[*:1]
CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)NCCc4cccs4)C3)nn12 c1csc(c1)C[*:1] CC(C)c1nnc2ccc(nn12)N1CCC[C@H](C1)C(=O)NC[*:1]
CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)NCCc4cccs4)C3)nn12 c1csc(c1)CC[*:1] CC(C)c1nnc2ccc(nn12)N1CCC[C@H](C1)C(=O)N[*:1]
CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)NCCc4cccs4)C3)nn12 c1csc(c1)[*:1] CC(C)c1nnc2ccc(nn12)N1CCC[C@H](C1)C(=O)NCC[*:1]
Cc1ccccc1-n1nnnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O Cc1ccccc1[*:1] Cn1c(N)c(C(=O)CSc2nnnn2[*:1])c(=O)n(C)c1=O
CC(C)c1nc(NC(=O)NCCCNC(=O)c2ccc(F)cc2)n(C)n1 Fc1ccc(cc1)[*:1] CC(C)c1nc(NC(=O)NCCCNC(=O)[*:1])n(C)n1
CC(C)c1nc(NC(=O)NCCCNC(=O)c2ccc(F)cc2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)NCCCNC(=O)c1ccc(F)cc1)[*:1]
CN(C)S(=O)(=O)c1ccccc1C[NH2+]C1CCCC1 C1CCC(C1)[*:1] CN(C)S(=O)(=O)c1ccccc1C[NH2+][*:1]
CN(C)S(=O)(=O)c1ccccc1C[NH2+]C1CCCC1 CN(C)S(=O)(=O)[*:1] c1ccc(c(c1)C[NH2+]C1CCCC1)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)NCCN2CCOCC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)NCCN1CCOCC1)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)NCCN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)NCC[*:1]
Cc1ccc([C@H](C)N(C)C(=O)NCCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)NC[*:1]
C[C@H]1C[C@@H]1NC(=O)NCc1cc[nH+]c(N2CC[NH+](C)CC2)c1 C[C@H]1C[C@H]1[*:1] C[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)N[*:1]
O=C([O-])c1cccc([C@@H]2CCCN(Cc3ccc(C[NH+]4CCCC4)s3)C2)c1 O=C([O-])c1cccc(c1)[*:1] c1cc(C[NH+]2CCCC2)sc1CN1CCC[C@H](C1)[*:1]
O=C([O-])c1cccc([C@@H]2CCCN(Cc3ccc(C[NH+]4CCCC4)s3)C2)c1 O=C([O-])[*:1] c1cc(cc(c1)[*:1])[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCC3)s2)C1
O=C(Cc1cccc(Cl)c1)N1CCC([C@]2(c3cccnc3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 Clc1cccc(c1)C[*:1] O=C1N[C@@](C(=O)N1C[C@@H]1CCCO1)(c1cccnc1)C1CCN(CC1)C(=O)[*:1]
O=C(Cc1cccc(Cl)c1)N1CCC([C@]2(c3cccnc3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 Clc1cccc(c1)[*:1] O=C(C[*:1])N1CCC(CC1)[C@@]1(NC(=O)N(C[C@@H]2CCCO2)C1=O)c1cccnc1
O=C(Cc1cccc(Cl)c1)N1CCC([C@]2(c3cccnc3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 c1cncc(c1)[*:1] O=C(Cc1cccc(Cl)c1)N1CCC(CC1)[C@@]1(NC(=O)N(C[C@@H]2CCCO2)C1=O)[*:1]
COc1ccc(-c2c(C#N)c(N)nc(C)c2CC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)-c1c(C#N)c(N)nc(C)c1C[*:1]
COc1ccc(-c2c(C#N)c(N)nc(C)c2CC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)-c1c(C#N)c(N)nc(C)c1[*:1]
Cc1ccc(-c2csc3ncn(CCC(=O)N[C@H](C)c4ccc(F)cc4F)c(=O)c23)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCn1cnc2scc(c2c1=O)[*:1])c1ccc(F)cc1F
Cc1ccc(-c2csc3ncn(CCC(=O)N[C@H](C)c4ccc(F)cc4F)c(=O)c23)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)-c1csc2ncn(CCC(=O)N[C@H](C)[*:1])c(=O)c12
C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(C[*:1])n1 C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H](c1ccccc1)[*:1]
C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(n1)[*:1] C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H](C[*:1])c1ccccc1
C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 C[C@H](c1ccccc1F)[*:1] CN(C(=O)N[C@@H](Cn1cncn1)c1ccccc1)[*:1]
C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H](Cn1cncn1)[*:1]
C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 Fc1ccccc1[*:1] C[C@H](N(C)C(=O)N[C@@H](Cn1cncn1)c1ccccc1)[*:1]
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccccn2)C1=O O=C(Nc1ccccn1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc2ccccc2c1
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccccn2)C1=O c1ccc(nc1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2ccccc2c1
C[C@@H](CCc1ccccc1)NC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21
C[C@@H](CCc1ccccc1)NC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)C(=O)N[C@@H]1C(=O)N(C)c2ccccc21
CC1CCN(c2ccc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC1CCN(CC1)c1ccc(cc1[*:1])C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
CC1CCN(c2ccc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)N1CCN(CC1)c1ccc(cn1)[*:1]
CC1CCN(c2ccc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2[N+](=O)[O-])CC1 FC(F)(F)c1ccc(nc1)[*:1] CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)N1CCN(CC1)[*:1]
CC1CCN(c2ccc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2[N+](=O)[O-])CC1 CC1CCN(CC1)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])[*:1])N1CCN(CC1)c1ccc(cn1)C(F)(F)F
CC(C)Oc1ccc(NC(=O)CCCN2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 CC(C)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCC(=O)Nc1ccc(cc1)O[*:1])C2=O
CC(C)Oc1ccc(NC(=O)CCCN2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 CC(C)O[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCC(=O)Nc1ccc(cc1)[*:1])C2=O
CC(=O)c1cccc(OCC(=O)O[C@@H](C)[C@@H]2CCOC2)c1 CC(=O)[*:1] C[C@H](OC(=O)COc1cccc(c1)[*:1])[C@@H]1CCOC1
CC1(C)CC([O-])=C/C(=N\CC[NH+]2CCN(C(=S)Nc3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)[*:1] CC1(C)CC([O-])=C/C(C1)=N\CC[NH+]1CCN(CC1)C(=S)N[*:1]
Cc1noc([C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)n1 Cc1noc(n1)[*:1] O=C(c1cc(on1)C1CC1)N1CCC[C@H]1[*:1]
Cc1noc([C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)n1 C1CC1[*:1] Cc1noc(n1)[C@@H]1CCCN1C(=O)c1cc(on1)[*:1]
CCOC(=O)c1ccc(CNC(=O)C2CCN(C(=O)C(C)C)CC2)o1 CCOC(=O)[*:1] CC(C)C(=O)N1CCC(CC1)C(=O)NCc1ccc(o1)[*:1]
CCOC(=O)c1ccc(CNC(=O)C2CCN(C(=O)C(C)C)CC2)o1 CC(C)[*:1] CCOC(=O)c1ccc(CNC(=O)C2CCN(CC2)C(=O)[*:1])o1
CCS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)[O-])C2)c(F)c1 CCS(=O)(=O)[*:1] O=C([O-])[C@H]1CCCN(C1)c1ccc(cc1F)[*:1]
CCS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)[O-])C2)c(F)c1 O=C([O-])[*:1] CCS(=O)(=O)c1ccc(c(F)c1)N1CCC[C@H](C1)[*:1]
CC(=O)Oc1cc(OC(C)=O)cc(C(=O)Nc2ccc(C(C)C)cc2)c1 CC(C)[*:1] CC(=O)Oc1cc(cc(c1)C(=O)Nc1ccc(cc1)[*:1])OC(C)=O
CC(=O)Oc1cc(OC(C)=O)cc(C(=O)Nc2ccc(C(C)C)cc2)c1 CC(=O)O[*:1] CC(=O)Oc1cc(cc(c1)[*:1])C(=O)Nc1ccc(cc1)C(C)C
O=C(Nc1ccc2c(c1)OCCO2)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1ccc2OCCOc2c1)N[*:1]
CSCCCN1C(=O)C(=O)N(CCc2cccs2)C1=O c1csc(c1)[*:1] CSCCCN1C(=O)C(=O)N(CC[*:1])C1=O
CSCCCN1C(=O)C(=O)N(CCc2cccs2)C1=O c1csc(c1)C[*:1] CSCCCN1C(=O)C(=O)N(C[*:1])C1=O
CSCCCN1C(=O)C(=O)N(CCc2cccs2)C1=O CSCCC[*:1] O=C1C(=O)N(C(=O)N1CCc1cccs1)[*:1]
CSCCCN1C(=O)C(=O)N(CCc2cccs2)C1=O CSC[*:1] O=C1C(=O)N(CC[*:1])C(=O)N1CCc1cccs1
CSCCCN1C(=O)C(=O)N(CCc2cccs2)C1=O CSCC[*:1] O=C1C(=O)N(C[*:1])C(=O)N1CCc1cccs1
Cc1sc(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)COc1ccc2c3CCCc3c(=O)oc2c1
CCOc1cccc(CNC(=O)N2CCN(C(=O)c3cc(C)no3)CC2)c1 CCOc1cccc(c1)[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)C(=O)NC[*:1]
CCOc1cccc(CNC(=O)N2CCN(C(=O)c3cc(C)no3)CC2)c1 CCO[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)C(=O)NCc1cccc(c1)[*:1]
CCOc1cccc(CNC(=O)N2CCN(C(=O)c3cc(C)no3)CC2)c1 Cc1cc(on1)[*:1] CCOc1cccc(c1)CNC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1csc(C)[n+]1CC#N N#CC[*:1] Cc1csc(C)[n+]1[*:1]
CC(C)(C)Oc1ccc(NC(=O)c2[nH]nc(C3CC3)c2Cl)cc1 CC(C)(C)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1[nH]nc(c1Cl)C1CC1
CC(C)(C)Oc1ccc(NC(=O)c2[nH]nc(C3CC3)c2Cl)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1[nH]nc(c1Cl)C1CC1
CC(C)(C)Oc1ccc(NC(=O)c2[nH]nc(C3CC3)c2Cl)cc1 C1CC1[*:1] CC(C)(C)Oc1ccc(cc1)NC(=O)c1[nH]nc(c1Cl)[*:1]
Cc1ccc(N[C@H]2CCc3[nH+]c(C)cn3C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(N[C@H]2CCc3[nH+]c(C)cn3C2)c(c1)[*:1]
C[C@@]1(C(=O)Nc2ccn(Cc3cccc(F)c3)n2)Oc2ccc(Cl)cc2NC1=O Fc1cccc(c1)C[*:1] C[C@]1(Oc2ccc(Cl)cc2NC1=O)C(=O)Nc1ccn(n1)[*:1]
C[C@@]1(C(=O)Nc2ccn(Cc3cccc(F)c3)n2)Oc2ccc(Cl)cc2NC1=O Fc1cccc(c1)[*:1] C[C@]1(Oc2ccc(Cl)cc2NC1=O)C(=O)Nc1ccn(C[*:1])n1
Cc1cc(NC(=O)[C@H](C)Sc2nc(C)c(C)c(C)n2)no1 Cc1cc(no1)[*:1] Cc1nc(nc(C)c1C)S[C@@H](C)C(=O)N[*:1]
Cc1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1C FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)c1cccnc1C)[*:1]
Cc1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1C Cc1ncccc1[*:1] Cc1ccc(cc1NC(=O)[*:1])C(F)(F)F
O=S(=O)(c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1)N1CCOCC1 FC(F)(F)[*:1] O=S(=O)(c1ccc(Cc2ncc(cc2Cl)[*:1])s1)N1CCOCC1
C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](Sc1nnc(o1)-c1ccc[nH]1)C(=O)N1CCC(CC1)[*:1]
C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N1CCC(Cc2ccccc2)CC1 c1c[nH]c(c1)[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)N1CCC(CC1)Cc1ccccc1
C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(o1)-c1ccc[nH]1)C(=O)N1CCC(CC1)C[*:1]
CCc1nc2n(n1)C[C@@H]([NH2+]Cc1nnc(-c3occc3C)o1)CC2 Cc1ccoc1[*:1] CCc1nc2CC[C@@H](Cn2n1)[NH2+]Cc1nnc(o1)[*:1]
C=C(NNC(=O)CSc1nc2ccccc2n1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C=C(NNC(=O)CSc1nc2ccccc2n1C)[*:1]
Cc1nc([C@H]2CCCN2C(=O)C[C@H]2OCCc3sccc32)no1 Cc1nc(no1)[*:1] O=C(C[C@H]1OCCc2sccc21)N1CCC[C@@H]1[*:1]
O=C(NCCc1c[nH]c2ccccc12)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(NCCc1c[nH]c2ccccc12)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccccc12)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCCc1c[nH]c2ccccc12)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
CC(C)N(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(C)C CC(C)[*:1] CC(C)N(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[*:1]
COc1ccccc1-c1c(C)nn2c(SCC(=O)N3CCCCC3)cc(C)nc12 COc1ccccc1[*:1] Cc1cc(SCC(=O)N2CCCCC2)n2nc(C)c(c2n1)[*:1]
COc1ccccc1-c1c(C)nn2c(SCC(=O)N3CCCCC3)cc(C)nc12 O=C(C[*:1])N1CCCCC1 COc1ccccc1-c1c(C)nn2c(cc(C)nc12)S[*:1]
COc1ccccc1-c1c(C)nn2c(SCC(=O)N3CCCCC3)cc(C)nc12 O=C(N1CCCCC1)[*:1] COc1ccccc1-c1c(C)nn2c(cc(C)nc12)SC[*:1]
N#C/C(=N\Nc1cccc(F)c1)c1nc2ccccc2[n-]1 Fc1cccc(c1)[*:1] N#C/C(=N\N[*:1])c1nc2ccccc2[n-]1
C[C@H]1CN(C(=S)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=S)c1cccc(c1)[*:1]
Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCC(OCc2ccccn2)CC1 c1ccc(C[*:1])nc1 Cc1oc(nc1C[NH+]1CCC(CC1)O[*:1])-c1ccccc1Cl
Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCC(OCc2ccccn2)CC1 Clc1ccccc1[*:1] Cc1oc(nc1C[NH+]1CCC(CC1)OCc1ccccn1)[*:1]
Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCC(OCc2ccccn2)CC1 c1ccc(CO[*:1])nc1 Cc1oc(nc1C[NH+]1CCC(CC1)[*:1])-c1ccccc1Cl
Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCC(OCc2ccccn2)CC1 c1ccc(nc1)[*:1] Cc1oc(nc1C[NH+]1CCC(CC1)OC[*:1])-c1ccccc1Cl
NC(=O)CSc1nnc(CNC(=O)c2ccccc2)o1 NC(=O)CS[*:1] O=C(NCc1nnc(o1)[*:1])c1ccccc1
NC(=O)CSc1nnc(CNC(=O)c2ccccc2)o1 NC(=O)[*:1] O=C(NCc1nnc(o1)SC[*:1])c1ccccc1
NC(=O)CSc1nnc(CNC(=O)c2ccccc2)o1 NC(=O)C[*:1] O=C(NCc1nnc(o1)S[*:1])c1ccccc1
NC(=O)CSc1nnc(CNC(=O)c2ccccc2)o1 c1ccc(cc1)[*:1] NC(=O)CSc1nnc(CNC(=O)[*:1])o1
CC(C)(C#N)NC(=O)c1cn(Cc2cccc(F)c2)nn1 Fc1cccc(c1)[*:1] CC(C)(C#N)NC(=O)c1cn(C[*:1])nn1
CC(C)(C#N)NC(=O)c1cn(Cc2cccc(F)c2)nn1 CC(C)(C#N)[*:1] O=C(N[*:1])c1cn(Cc2cccc(F)c2)nn1
Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)s1 Cc1nc(C)c(s1)[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1nc(cs1)-c1ccccc1
Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)O[C@@H](C)C(=O)Nc1nc(cs1)[*:1]
CCC[NH2+][C@@H]1CCC[C@H]1CC[S@@](=O)c1ccc(F)cc1 CCC[*:1] O=[S@](CC[C@@H]1CCC[C@H]1[NH2+][*:1])c1ccc(F)cc1
COC(=O)c1ccc(NC(=S)N2CCN(c3ccccc3)CC2)cc1 COC(=O)[*:1] S=C(Nc1ccc(cc1)[*:1])N1CCN(CC1)c1ccccc1
COC(=O)c1ccc(NC(=S)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)[*:1]
C[C@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)CCO1 c1csc(c1)[*:1] C[C@H]1CN(CCO1)C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
C[C@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)CCO1 Clc1ccc(cc1)[*:1] C[C@H]1CN(CCO1)C(=O)N[C@@H](c1cccs1)[*:1]
COC(=O)Cn1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)c2ccccc21 COC(=O)[*:1] c1ccc(nc1)-n1ncc2c1CCC[C@@H]2[NH2+]Cc1cn(C[*:1])c2ccccc12
COC(=O)Cn1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)c2ccccc21 c1ccc(nc1)[*:1] COC(=O)Cn1cc(C[NH2+][C@H]2CCCc3c2cnn3[*:1])c2ccccc21
COC(=O)Cn1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)c2ccccc21 COC(=O)C[*:1] c1ccc(nc1)-n1ncc2c1CCC[C@@H]2[NH2+]Cc1cn(c2ccccc12)[*:1]
CCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C(C)C)cc1 CCc1ccc(cc1)[*:1] CC(C)n1c(nc2ccccc2c1=O)SCC(=O)[*:1]
CCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CC[C@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)c1ccc2c(c1)CCO2 c1ccc(cc1)[*:1] CC[C@H]([NH2+][C@H](C)c1cn(nn1)[*:1])c1ccc2OCCc2c1
O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1c[nH]c2ccccc12 Clc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[*:1])c1c[nH]c2ccccc12
O=C(NCCc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1csc(n1)-c1ccc(F)cc1)N[*:1]
O=C(NCCc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1 Fc1ccc(cc1)[*:1] O=C(NCCc1csc(n1)[*:1])Nc1ccccc1
Cc1c([C@H](C)NC(=O)N2CCCC[C@@H]2C)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@H](C)NC(=O)N1CCCC[C@@H]1C
Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(F)c(Cl)c2)n(C)c1=O Fc1ccc(cc1Cl)[*:1] Cn1c(=O)c2c(ncn2CCCC(=O)N[*:1])n(C)c1=O
CC(C)(C)OC(=O)[C@]1(C(=O)[O-])CC=CC[C@@H]1[NH3+] O=C([O-])[*:1] CC(C)(C)OC(=O)[C@@]1(CC=CC[C@@H]1[NH3+])[*:1]
CC(C)(C)OC(=O)[C@]1(C(=O)[O-])CC=CC[C@@H]1[NH3+] CC(C)(C)[*:1] [NH3+][C@H]1CC=CC[C@@]1(C(=O)[O-])C(=O)O[*:1]
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c(C)n1CCc1ccccc1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])c(C)n1CCc1ccccc1
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c(C)n1CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(C2=O)c2ccc(F)cc2)c(C)n1[*:1]
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c(C)n1CCc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(C2=O)c2ccc(F)cc2)c(C)n1CC[*:1]
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c(C)n1CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(C2=O)c2ccc(F)cc2)c(C)n1C[*:1]
C/C=N/Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl Clc1ccccc1[*:1] C/C=N/Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
C/C=N/Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl Clc1ccccc1C[*:1] C/C=N/Nc1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
C/C=N/Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl C/C=N/N[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2Cc1ccccc1Cl)[*:1]
C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C(C)(C)CO1 C1C[C@H](CO1)[*:1] C[C@@H]1CN(C(=O)[*:1])C(C)(C)CO1
O=C(Nc1c(F)cccc1F)C(=O)N1CC[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1c(F)cccc1F)C(=O)N1CC[C@H]1[*:1]
O=C(Nc1c(F)cccc1F)C(=O)N1CC[C@@H]1c1ccc(Cl)cc1 Fc1cccc(F)c1[*:1] O=C(N[*:1])C(=O)N1CC[C@@H]1c1ccc(Cl)cc1
C#Cc1cccc(NC(=O)CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 C#Cc1cccc(c1)[*:1] CN(CC(=O)NCC(=O)N[*:1])c1ccccc1[N+](=O)[O-]
C#Cc1cccc(NC(=O)CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])c1ccccc1[*:1] C#Cc1cccc(c1)NC(=O)CNC(=O)CN(C)[*:1]
C#Cc1cccc(NC(=O)CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] C#Cc1cccc(c1)NC(=O)CNC(=O)CN(C)c1ccccc1[*:1]
Cc1n[nH]c(SCCC(=O)N(C)c2ccc3ccccc3c2)n1 Cc1n[nH]c(n1)[*:1] CN(C(=O)CCS[*:1])c1ccc2ccccc2c1
C[C@H]1CCC[C@@](C(=O)c2ccnn2C)([NH+](C)C)C1 Cn1nccc1[*:1] C[C@H]1CCC[C@@](C1)(C(=O)[*:1])[NH+](C)C
N#Cc1cc(Cl)nc(NNC(=O)/C=C/c2cccnc2)c1 c1cncc(c1)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)C=C[*:1]
C[C@@H](O)CC(=O)N/N=C/c1ccc[nH]1 C[C@@H](O)C[*:1] O=C(N/N=C/c1ccc[nH]1)[*:1]
C[C@@H](O)CC(=O)N/N=C/c1ccc[nH]1 C[C@@H](O)[*:1] O=C(C[*:1])N/N=C/c1ccc[nH]1
COc1ccc(-c2nc3ncccn3c2NCc2ccc(C)cc2)cc1OC Cc1ccc(cc1)CN[*:1] COc1ccc(cc1OC)-c1nc2ncccn2c1[*:1]
COc1ccc(-c2nc3ncccn3c2NCc2ccc(C)cc2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nc2ncccn2c1NC[*:1]
COc1ccc(-c2nc3ncccn3c2NCc2ccc(C)cc2)cc1OC Cc1ccc(cc1)C[*:1] COc1ccc(cc1OC)-c1nc2ncccn2c1N[*:1]
O=C(CN1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)Cc1[nH+]ccn1CC(F)(F)F)N[*:1]
O=C(CN1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1)Nc1ccc(F)cc1 FC(F)(F)C[*:1] O=C(CN1CCN(CC1)Cc1[nH+]ccn1[*:1])Nc1ccc(F)cc1
O=C(CN1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1)Nc1ccc(F)cc1 FC(F)(F)[*:1] O=C(CN1CCN(CC1)Cc1[nH+]ccn1C[*:1])Nc1ccc(F)cc1
C[C@H](OC(=O)c1ccc(Br)cc1F)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@H](OC(=O)c1ccc(Br)cc1F)[*:1]
O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCCc1ccccc1 Fc1ccc(cc1)[*:1] O=C(CCC(=O)N1CCN(CC1)[*:1])NCCc1ccccc1
O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(CCC(=O)N1CCN(CC1)c1ccc(F)cc1)N[*:1]
O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCN(CC1)c1ccc(F)cc1)NCC[*:1]
O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCC(=O)N1CCN(CC1)c1ccc(F)cc1)NC[*:1]
C[C@H](c1ccccc1Cl)N(C)C(=O)/C=C/c1cnc2ccccc2n1 Clc1ccccc1[*:1] C[C@H](N(C)C(=O)/C=C/c1cnc2ccccc2n1)[*:1]
CC[C@H]([NH3+])Cc1nc(C)ccc1OCc1csc(C)n1 Cc1nc(cs1)[*:1] CC[C@H]([NH3+])Cc1nc(C)ccc1OC[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2cccc3[nH]cnc23)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2cccc3[nH]cnc23)c1[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)Nc2ccc(OC3CCCC3)cc2)C1 C1CCC(C1)O[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)Nc1ccc(cc1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)Nc2ccc(OC3CCCC3)cc2)C1 C1CCC(C1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)Nc1ccc(cc1)O[*:1]
CCCn1/c(=N/C(=O)c2ccc(C)cc2C)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] CCCn1/c(=N/C(=O)c2ccc(C)cc2C)sc2cc(ccc21)[*:1]
CCCn1/c(=N/C(=O)c2ccc(C)cc2C)sc2cc(S(C)(=O)=O)ccc21 Cc1ccc(c(C)c1)[*:1] CCCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
CCCn1/c(=N/C(=O)c2ccc(C)cc2C)sc2cc(S(C)(=O)=O)ccc21 CCC[*:1] Cc1ccc(C(=O)/N=c2\sc3cc(ccc3n2[*:1])S(C)(=O)=O)c(C)c1
CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)c2ccc(Cn3cccn3)o2)cc1 c1cnn(c1)C[*:1] CN1c2ncccc2C(=O)N[C@@H]1c1ccc(cc1)NC(=O)c1ccc(o1)[*:1]
CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)c2ccc(Cn3cccn3)o2)cc1 c1cnn(c1)[*:1] CN1c2ncccc2C(=O)N[C@@H]1c1ccc(cc1)NC(=O)c1ccc(C[*:1])o1
CN1CCN(Cc2ccc(C(=O)NN)cn2)C1=O NNC(=O)[*:1] CN1CCN(Cc2ccc(cn2)[*:1])C1=O
CCN1C(=S)N[C@H](c2ccc(Br)cc2)C(C(=O)OCCOC)=C1C COCC[*:1] CCN1C(=S)N[C@@H](C(C(=O)O[*:1])=C1C)c1ccc(Br)cc1
CCN1C(=S)N[C@H](c2ccc(Br)cc2)C(C(=O)OCCOC)=C1C Brc1ccc(cc1)[*:1] CCN1C(=S)N[C@H](C(C(=O)OCCOC)=C1C)[*:1]
CCN1C(=S)N[C@H](c2ccc(Br)cc2)C(C(=O)OCCOC)=C1C COCCOC(=O)[*:1] CCN1C(=S)N[C@@H](C(=C1C)[*:1])c1ccc(Br)cc1
CCN1C(=S)N[C@H](c2ccc(Br)cc2)C(C(=O)OCCOC)=C1C COC[*:1] CCN1C(=S)N[C@@H](C(C(=O)OC[*:1])=C1C)c1ccc(Br)cc1
CC[C@@](CC(F)(F)F)(C(=O)[O-])c1ccccc1 FC(F)(F)C[*:1] CC[C@@](C(=O)[O-])(c1ccccc1)[*:1]
CC[C@@](CC(F)(F)F)(C(=O)[O-])c1ccccc1 FC(F)(F)[*:1] CC[C@@](C[*:1])(C(=O)[O-])c1ccccc1
CC[C@@](CC(F)(F)F)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CC[C@@](CC(F)(F)F)(c1ccccc1)[*:1]
O=C([O-])[C@H](Cc1ccc(Br)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O O=C([O-])[*:1] O=S1(=O)C[C@H](O)[C@H](C1)[C@@H](Cc1ccc(Br)cc1)[*:1]
O=C(CCBr)NCc1c(F)cccc1Cl BrCC[*:1] O=C(NCc1c(F)cccc1Cl)[*:1]
Cc1nc(-c2ccc(CNC(=O)c3cccc(Cl)c3Cl)cc2)cs1 Cc1nc(cs1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cccc(Cl)c1Cl
Cc1nc(-c2ccc(CNC(=O)c3cccc(Cl)c3Cl)cc2)cs1 Clc1cccc(c1Cl)[*:1] Cc1nc(cs1)-c1ccc(cc1)CNC(=O)[*:1]
O=C(N1CCc2ccccc21)C1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(N1CCc2ccccc21)C1(CC1)[*:1]
CCn1c(S[C@H](C)C(=O)NCCC(C)C)nc2cc3ccccc3cc2c1=O CC(C)[*:1] CCn1c(nc2cc3ccccc3cc2c1=O)S[C@H](C)C(=O)NCC[*:1]
CCn1c(S[C@H](C)C(=O)NCCC(C)C)nc2cc3ccccc3cc2c1=O CC(C)CC[*:1] CCn1c(nc2cc3ccccc3cc2c1=O)S[C@H](C)C(=O)N[*:1]
CCn1c(S[C@H](C)C(=O)NCCC(C)C)nc2cc3ccccc3cc2c1=O CC(C)C[*:1] CCn1c(nc2cc3ccccc3cc2c1=O)S[C@H](C)C(=O)NC[*:1]
CCn1c(S[C@H](C)C(=O)NCCC(C)C)nc2cc3ccccc3cc2c1=O CC(C)CCNC(=O)[*:1] CCn1c(nc2cc3ccccc3cc2c1=O)S[C@H](C)[*:1]
C=CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 C=CCNC(=O)C[*:1] O=C(O[*:1])c1c2CCCc2nc2ccccc12
C=CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 C=CCNC(=O)[*:1] O=C(OC[*:1])c1c2CCCc2nc2ccccc12
C=CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 C=CC[*:1] O=C(COC(=O)c1c2CCCc2nc2ccccc12)N[*:1]
O=C(Cc1cccc(O)c1)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 Oc1cccc(c1)[*:1] O=C(C[*:1])N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1
O=C(Cc1cccc(O)c1)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 Oc1cccc(c1)C[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1C[C@@H]1CCCO1
C[C@@H](c1ccccn1)N(C(=S)NC1CC1)C1CC1 c1ccc(nc1)[*:1] C[C@@H](N(C(=S)NC1CC1)C1CC1)[*:1]
C[C@@H](c1ccccn1)N(C(=S)NC1CC1)C1CC1 C1CC1[*:1] C[C@@H](c1ccccn1)N(C(=S)N[*:1])C1CC1
C[C@@H](c1ccccn1)N(C(=S)NC1CC1)C1CC1 C1CC1[*:1] C[C@@H](c1ccccn1)N(C(=S)NC1CC1)[*:1]
CCOC(=O)c1ccc(NC(=O)/C=c2\sc3n(c2=O)CCCN=3)cc1 CCOC(=O)[*:1] O=C(/C=c1\sc2=NCCCn2c1=O)Nc1ccc(cc1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(CNC(=O)COc2nc(C)nc3oc(C)c(C)c23)cc1 COc1ccc(cc1)[*:1] Cc1nc(OCC(=O)NC[*:1])c2c(C)c(C)oc2n1
Cn1cccc1C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1 Cn1cccc1[*:1] O=C([C@@H](OC(=O)[*:1])c1ccccc1)N1CCOCC1
Cn1cccc1C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] Cn1cccc1C(=O)O[C@H](C(=O)N1CCOCC1)[*:1]
Cn1cccc1C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1 O=C(N1CCOCC1)[*:1] Cn1cccc1C(=O)O[C@H](c1ccccc1)[*:1]
C[C@@H]1CN(c2ccccc2S(=O)(=O)C(F)(F)F)CC[C@@H]1[NH3+] O=S(=O)(C(F)(F)F)[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])c1ccccc1[*:1]
C[C@@H]1CN(c2ccccc2S(=O)(=O)C(F)(F)F)CC[C@@H]1[NH3+] FC(F)(F)[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])c1ccccc1S(=O)(=O)[*:1]
CC(=O)Nc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)c(cc2[nH]1)[*:1]
CC(=O)Nc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1 CC(=O)N[*:1] O=[N+]([O-])c1cc2[nH]c(nc2cc1Cl)-c1ccc(cc1)[*:1]
CCOC(=O)N1CCN(Cn2cc(Br)cn2)CC1 Brc1cnn(c1)[*:1] CCOC(=O)N1CCN(CC1)C[*:1]
CCNC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 O=C([O-])[*:1] CCNC(=O)c1ccc(cc1)NC(=O)CC1(CCCC1)[*:1]
CCNC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 CCNC(=O)[*:1] O=C(CC1(CCCC1)C(=O)[O-])Nc1ccc(cc1)[*:1]
CCC[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 CCC[*:1] NC(=O)c1c(NC(=O)c2cccs2)sc2C[C@H](CCc21)[*:1]
CCC[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 NC(=O)[*:1] CCC[C@H]1CCc2c(C1)sc(NC(=O)c1cccs1)c2[*:1]
CCC[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 c1csc(c1)[*:1] CCC[C@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccccc1OCC CCO[*:1] CCOC(=O)C1=C(NC(=O)N[C@H]1c1ccccc1[*:1])c1ccccc1
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccccc1OCC CCOc1ccccc1[*:1] CCOC(=O)C1=C(NC(=O)N[C@@H]1[*:1])c1ccccc1
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccccc1OCC CCOC(=O)[*:1] CCOc1ccccc1[C@@H]1NC(=O)NC(=C1[*:1])c1ccccc1
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccccc1OCC c1ccc(cc1)[*:1] CCOC(=O)C1=C(NC(=O)N[C@H]1c1ccccc1OCC)[*:1]
O=C(Nc1ccc(CNC(=O)N2CCCCCCC2)cc1)c1ccco1 c1coc(c1)[*:1] O=C(NCc1ccc(cc1)NC(=O)[*:1])N1CCCCCCC1
O=C(Nc1ccc(CNC(=O)N2CCCCCCC2)cc1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(NCc1ccc(cc1)[*:1])N1CCCCCCC1
C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 C=CC[*:1] Cc1nn(-c2ccc(F)cc2)c2NC(=O)CS[C@H](c3ccc(cc3)O[*:1])c12
C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 C=CCO[*:1] Cc1nn(-c2ccc(F)cc2)c2NC(=O)CS[C@H](c3ccc(cc3)[*:1])c12
C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C=CCOc1ccc(cc1)[C@H]1SCC(=O)Nc2c1c(C)nn2[*:1]
CCc1nsc(N2CCCN(C(=O)c3cnc4ccc(C)cn34)CC2)n1 CCc1nsc(n1)[*:1] Cc1ccc2ncc(C(=O)N3CCCN(CC3)[*:1])n2c1
COc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1 COc1ccc(C)cc1[*:1] O=S(=O)(N1CCN(CC1)Cc1ccnc(n1)N1CCOCC1)[*:1]
COc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1 C1CN(CCO1)[*:1] COc1ccc(C)cc1S(=O)(=O)N1CCN(CC1)Cc1ccnc(n1)[*:1]
Cc1c[nH]c(=O)n1-c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c[nH]c(=O)n1-c1ccccc1[*:1]
CN(C)c1cc(O[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)ncn1 Fc1ccc(cc1)[*:1] CN(C)c1cc(ncn1)O[C@@H]1CCN(C1)C(=O)C[*:1]
CN(C)c1cc(O[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)ncn1 Fc1ccc(cc1)C[*:1] CN(C)c1cc(ncn1)O[C@@H]1CCN(C1)C(=O)[*:1]
CN(C)c1cc(O[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)ncn1 CN(C)[*:1] O=C(Cc1ccc(F)cc1)N1CC[C@H](C1)Oc1cc(ncn1)[*:1]
CCn1nc(C)cc1C(=O)Nc1nnc(COc2ccccc2)o1 CCn1nc(C)cc1[*:1] O=C(Nc1nnc(COc2ccccc2)o1)[*:1]
CCn1nc(C)cc1C(=O)Nc1nnc(COc2ccccc2)o1 c1ccc(cc1)O[*:1] CCn1nc(C)cc1C(=O)Nc1nnc(C[*:1])o1
CCn1nc(C)cc1C(=O)Nc1nnc(COc2ccccc2)o1 c1ccc(cc1)OC[*:1] CCn1nc(C)cc1C(=O)Nc1nnc(o1)[*:1]
CCn1nc(C)cc1C(=O)Nc1nnc(COc2ccccc2)o1 c1ccc(cc1)[*:1] CCn1nc(C)cc1C(=O)Nc1nnc(CO[*:1])o1
CN1CCN(C(=O)c2cc(-c3ccccc3O)n[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 Oc1ccccc1[*:1] CN1CCN(C(=O)c2cc(n[nH]2)[*:1])[C@H]2CS(=O)(=O)C[C@H]21
O=C(NC[C@H](CCO)c1ccccc1)N1CC[C@@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC[C@H](CCO)[*:1])N1CC[C@@H](Cc2ccccc2)C1
O=C(NC[C@H](CCO)c1ccccc1)N1CC[C@@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(NC[C@H](CCO)c1ccccc1)N1CC[C@@H](C1)[*:1]
O=C(NC[C@H](CCO)c1ccccc1)N1CC[C@@H](Cc2ccccc2)C1 OCC[*:1] O=C(NC[C@H](c1ccccc1)[*:1])N1CC[C@@H](Cc2ccccc2)C1
O=C(NC[C@H](CCO)c1ccccc1)N1CC[C@@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC[C@H](CCO)c1ccccc1)N1CC[C@H](C1)C[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 CC(C)C(=O)NC[*:1] O=C(c1cc(F)cc(F)c1)N1CCC[C@@H](C1)[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 CC(C)C(=O)N[*:1] O=C(c1cc(F)cc(F)c1)N1CCC[C@@H](C1)C[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 CC(C)[*:1] O=C(c1cc(F)cc(F)c1)N1CCC[C@H](CNC(=O)[*:1])C1
C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1ccc(Cl)c(c1)[N-]S(=O)(=O)c1ccc(F)cc1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 C[C@H](c1ccccc1)[*:1] CN(C(=O)c1ccc(Cl)c(c1)[N-]S(=O)(=O)c1ccc(F)cc1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c(c1)[N-]S(=O)(=O)[*:1]
Cc1ocnc1CNC(=O)N[C@H]1CCC[C@@H](C)C1 Cc1ocnc1[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)NC[*:1]
COc1ccc(C2(CNS(=O)(=O)c3cc(F)cc(F)c3)CCCC2)cc1 Fc1cc(F)cc(c1)[*:1] COc1ccc(cc1)C1(CCCC1)CNS(=O)(=O)[*:1]
COc1ccc(C2(CNS(=O)(=O)c3cc(F)cc(F)c3)CCCC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(NCC1(CCCC1)[*:1])c1cc(F)cc(F)c1
O=C(NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)[*:1]
O=C(NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)[C@@H]1CCCO1 c1ncc(cn1)[*:1] O=C(NC[C@@H]1Cc2cc(F)cc(c2O1)[*:1])[C@@H]1CCCO1
O=C(NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)[C@@H]1CCCO1 O=C(N[*:1])[C@@H]1CCCO1 Fc1cc2C[C@@H](C[*:1])Oc2c(c1)-c1cncnc1
Cc1nc2nc(Cc3ccccc3)nn2c(N)c1C#N c1ccc(cc1)[*:1] Cc1nc2nc(C[*:1])nn2c(N)c1C#N
Cc1ncn(C[C@H](C)[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1C CC(C)[*:1] Cc1ncn(C[C@H](C)[NH2+][C@H](c2nc(no2)-c2nc[nH]n2)[*:1])c1C
Cc1ncn(C[C@H](C)[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1C c1nc(n[nH]1)[*:1] Cc1ncn(C[C@H](C)[NH2+][C@H](c2nc(no2)[*:1])C(C)C)c1C
Cc1ncn(C[C@H](C)[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1C Cc1ncn(c1C)[*:1] CC(C)[C@H]([NH2+][C@@H](C)C[*:1])c1nc(no1)-c1nc[nH]n1
Cc1ncn(C[C@H](C)[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1C Cc1ncn(C[*:1])c1C CC(C)[C@H]([NH2+][C@@H](C)[*:1])c1nc(no1)-c1nc[nH]n1
COc1cc(Br)ccc1S(=O)(=O)NCc1cccnc1 c1cncc(c1)[*:1] COc1cc(Br)ccc1S(=O)(=O)NC[*:1]
C/[NH+]=C(/NCc1ncc(C)s1)NCC(C)(C)c1cccs1 c1csc(c1)[*:1] C/[NH+]=C(/NCc1ncc(C)s1)NCC(C)(C)[*:1]
C/[NH+]=C(/NCc1ncc(C)s1)NCC(C)(C)c1cccs1 Cc1cnc(s1)[*:1] C/[NH+]=C(\NCC(C)(C)c1cccs1)NC[*:1]
C/[NH+]=C(/NCc1ncc(C)s1)NCC(C)(C)c1cccs1 Cc1cnc(C[*:1])s1 C/[NH+]=C(\NCC(C)(C)c1cccs1)N[*:1]
Cc1ccc(NC(=O)[C@@H](C)Cc2cccs2)cc1N1CCOC1=O c1csc(c1)[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)[C@@H](C)C[*:1]
Cc1ccc(NC(=O)[C@@H](C)Cc2cccs2)cc1N1CCOC1=O O=C1OCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H](C)Cc1cccs1
Cc1ccc(NC(=O)[C@@H](C)Cc2cccs2)cc1N1CCOC1=O c1csc(c1)C[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)[C@@H](C)[*:1]
Cc1ccc(NC(=O)[C@@H](C)Cc2cccs2)cc1N1CCOC1=O C[C@@H](Cc1cccs1)[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)[*:1]
Cc1ccc(-c2csc(NC(=O)CSCC(=O)N3CCCC3)n2)cc1C O=C(N1CCCC1)[*:1] Cc1ccc(cc1C)-c1csc(n1)NC(=O)CSC[*:1]
Cc1ccc(-c2csc(NC(=O)CSCC(=O)N3CCCC3)n2)cc1C O=C(C[*:1])N1CCCC1 Cc1ccc(cc1C)-c1csc(n1)NC(=O)CS[*:1]
Cc1ccc(-c2csc(NC(=O)CSCC(=O)N3CCCC3)n2)cc1C Cc1ccc(cc1C)[*:1] O=C(CSCC(=O)N1CCCC1)Nc1nc(cs1)[*:1]
COc1ccc(NC(=O)[C@H]2CCN(c3cc4oc5ccccc5c4cc3OC)C2=O)cc1OC COc1ccc(cc1OC)[*:1] COc1cc2c(cc1N1CC[C@H](C(=O)N[*:1])C1=O)oc1ccccc12
Cc1cncc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 Clc1ccccc1[*:1] Cc1cncc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cncc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1Cl
CCC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1OC(C)(C)CC CCC[*:1] CCC(C)(C)O[C@H]1Cc2ccc(cc2[C@H]1[NH2+][*:1])OC
CCC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1OC(C)(C)CC CCC(C)(C)[*:1] CCC[NH2+][C@@H]1c2cc(ccc2C[C@@H]1O[*:1])OC
CCC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1OC(C)(C)CC CCC(C)(C)O[*:1] CCC[NH2+][C@@H]1c2cc(ccc2C[C@H]1[*:1])OC
CC(=O)N[C@@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@@H]2O[C@@H]1Oc1ccc(C(C)=O)cc1 CC(=O)[*:1] CC(=O)N[C@@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@@H]2O[C@@H]1Oc1ccc(cc1)[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@@H]2O[C@@H]1Oc1ccc(C(C)=O)cc1 CC(=O)N[*:1] CC(=O)c1ccc(cc1)O[C@H]1O[C@H]2COC(C)(C)O[C@H]2[C@@H](O)[C@H]1[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@@H]2O[C@@H]1Oc1ccc(C(C)=O)cc1 CC(=O)c1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@@H]2O[C@@H]1O[*:1]
Cc1ccc(C(=O)Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc2oc(cc(=O)c2c1)C(F)(F)F)[*:1]
Cc1ccc(C(=O)Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc2oc(cc(=O)c2c1)[*:1]
COc1cccc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCO4)CC2)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
COc1cccc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCO4)CC2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1ccc2OCOc2c1
COc1cccc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCO4)CC2)c1 COc1cccc(c1)C[*:1] O=C([C@@H]1C[C@@H]1c1ccc2OCOc2c1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C)cc(OCCNC(=O)NNC(=O)c2ccccc2Cl)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCO[*:1])NNC(=O)c1ccccc1Cl
Cc1cc(C)cc(OCCNC(=O)NNC(=O)c2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1cc(C)cc(c1)OCCNC(=O)NNC(=O)[*:1]
CCCNC(=O)[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c2ccccc2O1 CCC[*:1] O=C(N[*:1])[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n(n2)-c2ccccc2)c2ccccc2O1
CCCNC(=O)[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c2ccccc2O1 CCCNC(=O)[*:1] O=C(c1nc(-c2ccccc2)n(n1)-c1ccccc1)N1C[C@H](Oc2ccccc21)[*:1]
CCCNC(=O)[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c2ccccc2O1 c1ccc(cc1)[*:1] CCCNC(=O)[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n(n2)[*:1])c2ccccc2O1
CCCNC(=O)[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c2ccccc2O1 c1ccc(cc1)[*:1] CCCNC(=O)[C@@H]1CN(C(=O)c2nc(n(n2)-c2ccccc2)[*:1])c2ccccc2O1
O=C(c1ccc(F)c(F)c1)N1CC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 Fc1ccc(cc1F)[*:1] O=C(C1CN(C1)C(=O)[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=C(c1ccc(F)c(F)c1)N1CC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 Clc1cccc(c1)[*:1] O=C(c1ccc(F)c(F)c1)N1CC(C1)C(=O)N1CCN(CC1)[*:1]
CCS[C@@H]1CCCC(C)(C)[C@H]1[NH3+] CCS[*:1] CC1(C)CCC[C@H]([C@@H]1[NH3+])[*:1]
COC(=O)c1c(C)nn2c1ncc1c(=O)n(C3CCCCCC3)ccc12 COC(=O)[*:1] Cc1nn2c(ncc3c(=O)n(ccc32)C2CCCCCC2)c1[*:1]
COC(=O)c1c(C)nn2c1ncc1c(=O)n(C3CCCCCC3)ccc12 C1CCCC(CC1)[*:1] COC(=O)c1c(C)nn2c1ncc1c(=O)n(ccc12)[*:1]
CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 CCOC(=O)[*:1] Cc1noc(C)c1S(=O)(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CCOC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
Cn1cc(C(=O)NCc2cccnc2-n2cncn2)c(C(C)(C)C)n1 c1ncn(n1)[*:1] Cn1cc(C(=O)NCc2cccnc2[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)NCc2cccnc2-n2cncn2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)NCc2cccnc2-n2cncn2)c(n1)[*:1]
Cc1ccc2ncc(C(=O)N(C)[C@@H](C)Cc3ccc(Cl)cc3)c(=O)n2c1 Clc1ccc(cc1)C[*:1] Cc1ccc2ncc(C(=O)N(C)[C@@H](C)[*:1])c(=O)n2c1
Cc1ccc2ncc(C(=O)N(C)[C@@H](C)Cc3ccc(Cl)cc3)c(=O)n2c1 Clc1ccc(cc1)[*:1] Cc1ccc2ncc(C(=O)N(C)[C@@H](C)C[*:1])c(=O)n2c1
Cc1nnc(NC(=O)NCC2CCC2)s1 C1CC(C1)[*:1] Cc1nnc(NC(=O)NC[*:1])s1
Cc1nnc(NC(=O)NCC2CCC2)s1 C1CC(C1)C[*:1] Cc1nnc(NC(=O)N[*:1])s1
C[C@@H]([C@@H](C)O)S(=O)(=O)[C@H](C)C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([C@@H](C)O)S(=O)(=O)[C@H](C)C(=O)N[C@H](C)[*:1]
C[C@@H]([C@@H](C)O)S(=O)(=O)[C@H](C)C(=O)N[C@H](C)c1ccccc1 C[C@@H](O)[*:1] C[C@@H](S(=O)(=O)[C@H](C)C(=O)N[C@H](C)c1ccccc1)[*:1]
CCOC(=O)CN(C)C(=O)CN1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C Cc1ccc(C)c(c1)[*:1] CCOC(=O)CN(C)C(=O)CN1C[C@H](OC[C@@H]1C)[*:1]
CCOC(=O)CN(C)C(=O)CN1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C CCOC(=O)C[*:1] Cc1ccc(C)c(c1)[C@H]1CN(CC(=O)N(C)[*:1])[C@@H](C)CO1
CCOC(=O)CN(C)C(=O)CN1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C CCOC(=O)[*:1] Cc1ccc(C)c(c1)[C@H]1CN(CC(=O)N(C)C[*:1])[C@@H](C)CO1
O=C(NCCN1CC[NH+](Cc2ccc(Br)cc2)CC1)C(=O)NC1CCCCC1 Brc1ccc(cc1)[*:1] O=C(NCCN1CC[NH+](CC1)C[*:1])C(=O)NC1CCCCC1
O=C(NCCN1CC[NH+](Cc2ccc(Br)cc2)CC1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NCCN1CC[NH+](CC1)Cc1ccc(Br)cc1)C(=O)N[*:1]
O=C(NCCN1CC[NH+](Cc2ccc(Br)cc2)CC1)C(=O)NC1CCCCC1 Brc1ccc(cc1)C[*:1] O=C(NCCN1CC[NH+](CC1)[*:1])C(=O)NC1CCCCC1
O=C(NC[C@H]1CCC[C@@H]1O)c1cc(-c2ccco2)[nH]n1 c1coc(c1)[*:1] O=C(NC[C@H]1CCC[C@@H]1O)c1cc([nH]n1)[*:1]
COc1cccc(NC2CC[NH+](Cc3c(F)cccc3F)CC2)c1 COc1cccc(c1)[*:1] Fc1cccc(F)c1C[NH+]1CCC(CC1)N[*:1]
COc1cccc(NC2CC[NH+](Cc3c(F)cccc3F)CC2)c1 Fc1cccc(F)c1[*:1] COc1cccc(c1)NC1CC[NH+](CC1)C[*:1]
COC(=O)[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C COC(=O)[*:1] COc1cc(cc(c1)C(=O)N[C@H](C(C)C)[*:1])OC
COC(=O)[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)c1cc(cc(c1)OC)OC)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N[C@H]3C[C@H]3c3ccccc3)cc12 COC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])N[C@H]1C[C@H]1c1ccccc1
COC(=O)c1n[nH]c2ccc(NC(=O)N[C@H]3C[C@H]3c3ccccc3)cc12 c1ccc(cc1)[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)N[C@H]1C[C@@H]1[*:1]
COc1ccc(OC)c([C@@H](O)CNC(=O)C2(c3ccccc3F)CC2)c1 Fc1ccccc1[*:1] COc1ccc(OC)c(c1)[C@@H](O)CNC(=O)C1(CC1)[*:1]
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CC1CCCC1)c1ccccc1 C1CCC(C1)C[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](c1ccccc1)[*:1]
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CC1CCCC1)c1ccccc1 C1CCC(C1)[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](C[*:1])c1ccccc1
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CC1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](CC1CCCC1)[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1 C1CC1[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2ccccc21)[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1 CN(C1CC1)S(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCCc2ccccc21
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[C@@H]1COc2ccccc2O1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])[C@@H]1COc2ccccc2O1
Cc1ccc2[nH]cc(CCC(=O)N3CSC[C@@H]3C(=O)NCC(C)C)c2c1 CC(C)CNC(=O)[*:1] Cc1ccc2[nH]cc(CCC(=O)N3CSC[C@H]3[*:1])c2c1
Cc1ccc2[nH]cc(CCC(=O)N3CSC[C@@H]3C(=O)NCC(C)C)c2c1 CC(C)C[*:1] Cc1ccc2[nH]cc(CCC(=O)N3CSC[C@@H]3C(=O)N[*:1])c2c1
Cc1ccc2[nH]cc(CCC(=O)N3CSC[C@@H]3C(=O)NCC(C)C)c2c1 CC(C)[*:1] Cc1ccc2[nH]cc(CCC(=O)N3CSC[C@@H]3C(=O)NC[*:1])c2c1
COC(=O)c1ccc(NC(=O)c2noc3c2CCCCC3)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1noc2CCCCCc12
CCOC(=O)C1CCN(/C(NCc2ccc(C)cc2C)=[NH+]\C)CC1 CCOC(=O)[*:1] C/[NH+]=C(/NCc1ccc(C)cc1C)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(/C(NCc2ccc(C)cc2C)=[NH+]\C)CC1 Cc1ccc(c(C)c1)[*:1] CCOC(=O)C1CCN(CC1)/C(NC[*:1])=[NH+]\C
C=CCn1c(CNc2ccccc2)nnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C c1ccc(cc1)[*:1] C=CCn1c(CN[*:1])nnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C
C=CCn1c(CNc2ccccc2)nnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C C=CC[*:1] Cn1c(=O)c2c(nc(Sc3nnc(CNc4ccccc4)n3[*:1])n2C)n(C)c1=O
C=CCn1c(CNc2ccccc2)nnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C c1ccc(cc1)N[*:1] C=CCn1c(C[*:1])nnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C
C=CCn1c(CNc2ccccc2)nnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C c1ccc(cc1)NC[*:1] C=CCn1c(nnc1[*:1])Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C
CCN(Cn1nc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=S)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCN(Cn1nc(-c2ccc(Cl)cc2Cl)n(c1=S)[*:1])[C@H]1CCS(=O)(=O)C1
CCN(Cn1nc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=S)[C@H]1CCS(=O)(=O)C1 Clc1ccc(c(Cl)c1)[*:1] CCN(Cn1nc(n(-c2ccccc2)c1=S)[*:1])[C@H]1CCS(=O)(=O)C1
COC[C@@H](O)CN(C)C(=O)[C@H](C)Sc1ccc(Br)cc1 COC[*:1] C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)C[C@H](O)[*:1]
COC[C@@H](O)CN(C)C(=O)[C@H](C)Sc1ccc(Br)cc1 COC[C@@H](O)[*:1] C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)C[*:1]
COC[C@@H](O)CN(C)C(=O)[C@H](C)Sc1ccc(Br)cc1 COC[C@@H](O)C[*:1] C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)[*:1]
Cc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@@H](C)[NH2+]C[*:1]
CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 FC(F)O[*:1] CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1CCCc2cc(ccc21)[*:1]
CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 CC(C)S(=O)(=O)[C@H](C)[*:1] O=C(N[C@H]1CCCc2cc(ccc21)OC(F)F)[*:1]
CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 CC(C)[*:1] C[C@H](C(=O)N[C@H]1CCCc2cc(ccc21)OC(F)F)S(=O)(=O)[*:1]
CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 CC(C)S(=O)(=O)[*:1] C[C@H](C(=O)N[C@H]1CCCc2cc(ccc21)OC(F)F)[*:1]
CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 FC(F)[*:1] CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1CCCc2cc(ccc21)O[*:1]
COc1ncccc1CC1(C(=O)[O-])CCC(C)(C)CC1 O=C([O-])[*:1] COc1ncccc1CC1(CCC(C)(C)CC1)[*:1]
CC(=O)c1cn(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc12 CC(=O)[*:1] O=C(Cn1cc(c2ccccc21)[*:1])N[C@@H]1CCS(=O)(=O)C1
CN1C(=O)C[C@@](CC(=O)N2CCC[C@H]2c2ccc(F)cc2)(c2ccc(-c3ccccc3)cc2)C1=O c1ccc(cc1)[*:1] CN1C(=O)C[C@](CC(=O)N2CCC[C@H]2c2ccc(F)cc2)(C1=O)c1ccc(cc1)[*:1]
CN1C(=O)C[C@@](CC(=O)N2CCC[C@H]2c2ccc(F)cc2)(c2ccc(-c3ccccc3)cc2)C1=O Fc1ccc(cc1)[*:1] CN1C(=O)C[C@](CC(=O)N2CCC[C@@H]2[*:1])(C1=O)c1ccc(cc1)-c1ccccc1
CC[C@@H](NC(=O)NC[C@@H](O)C(C)(C)C)c1cc(F)ccc1F CC(C)(C)[C@H](O)[*:1] CC[C@@H](NC(=O)NC[*:1])c1cc(F)ccc1F
CC[C@@H](NC(=O)NC[C@@H](O)C(C)(C)C)c1cc(F)ccc1F CC(C)(C)[*:1] CC[C@@H](NC(=O)NC[C@@H](O)[*:1])c1cc(F)ccc1F
CC[C@@H](NC(=O)NC[C@@H](O)C(C)(C)C)c1cc(F)ccc1F CC(C)(C)[C@H](O)C[*:1] CC[C@@H](NC(=O)N[*:1])c1cc(F)ccc1F
Cc1cc(F)ccc1NC(=O)CN1C(=O)[C@H](C(=O)N2CCCCCC2)Sc2ccccc21 Cc1cc(F)ccc1[*:1] O=C(CN1C(=O)[C@@H](Sc2ccccc21)C(=O)N1CCCCCC1)N[*:1]
Cc1cc(F)ccc1NC(=O)CN1C(=O)[C@H](C(=O)N2CCCCCC2)Sc2ccccc21 O=C(N1CCCCCC1)[*:1] Cc1cc(F)ccc1NC(=O)CN1C(=O)[C@H](Sc2ccccc21)[*:1]
CC[C@@H](C#N)OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC[C@@H](C#N)OC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)no1 Cc1nc(no1)[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)[*:1]
Cc1ncc(Cl)c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1ncc(Cl)c(n1)C(=O)NCc1[nH+]ccn1C[*:1]
Cc1ncc(Cl)c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ncc(Cl)c(n1)C(=O)NCc1[nH+]ccn1CC[*:1]
Cc1ncc(Cl)c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 c1ccc(cc1)CC[*:1] Cc1ncc(Cl)c(n1)C(=O)NCc1[nH+]ccn1[*:1]
Cc1ncc(Cl)c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 Cc1ncc(Cl)c(n1)[*:1] O=C(NCc1[nH+]ccn1CCc1ccccc1)[*:1]
CN(C)C(=O)c1cccc(NC(=O)C[C@@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)C[C@@H](O)[*:1]
CN(C)C(=O)c1cccc(NC(=O)C[C@@H](O)c2ccccc2)c1 CN(C)C(=O)[*:1] O=C(C[C@@H](O)c1ccccc1)Nc1cccc(c1)[*:1]
Cc1ncsc1CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 Brc1ccc(nc1)[*:1] Cc1ncsc1CN1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ncsc1CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 Cc1ncsc1[*:1] O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C1)C[*:1]
Cc1ncsc1CN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 Cc1ncsc1C[*:1] O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C1)[*:1]
C[C@]1(O)N(Nc2ccc(F)cc2)C(=O)OC12CCCCC2 Fc1ccc(cc1)[*:1] C[C@]1(O)N(N[*:1])C(=O)OC12CCCCC2
NC(=[NH2+])c1cc(C(F)(F)F)ccn1 FC(F)(F)[*:1] NC(=[NH2+])c1cc(ccn1)[*:1]
NC(=[NH2+])c1cc(C(F)(F)F)ccn1 NC(=[NH2+])[*:1] FC(F)(F)c1ccnc(c1)[*:1]
C[C@@H](CO)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 FC(F)[*:1] C[C@@H](CO)[NH2+]Cc1ccc(O[*:1])c(Br)c1
C[C@@H](CO)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 FC(F)O[*:1] C[C@@H](CO)[NH2+]Cc1ccc(c(Br)c1)[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)c2cc(C(C)(C)C)nn2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1cc(nn1C)C(C)(C)C)O[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)c2cc(C(C)(C)C)nn2C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)O[C@@H](C)CNC(=O)c1cc(nn1C)[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)c2cc(C(C)(C)C)nn2C)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](CNC(=O)c1cc(nn1C)C(C)(C)C)[*:1]
C[C@@H](OC(=O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)NC(N)=O C[C@@H](C(=O)NC(N)=O)[*:1] O=C(CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)O[*:1]
C[C@@H](OC(=O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@@H](OC(=O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)[*:1]
Nn1c(S)nnc1-c1ccc(OC(F)F)cc1 FC(F)[*:1] Nn1c(S)nnc1-c1ccc(cc1)O[*:1]
Nn1c(S)nnc1-c1ccc(OC(F)F)cc1 FC(F)O[*:1] Nn1c(S)nnc1-c1ccc(cc1)[*:1]
Cc1noc(CCC[NH2+]Cc2cccc3c2OCCCO3)n1 Cc1noc(n1)[*:1] c1cc(C[NH2+]CCC[*:1])c2OCCCOc2c1
Cc1noc(CCC[NH2+]Cc2cccc3c2OCCCO3)n1 Cc1noc(C[*:1])n1 c1cc(C[NH2+]CC[*:1])c2OCCCOc2c1
COC(=O)c1ccc(OCC(=O)c2ccc(I)cc2)c(OC)c1 COC(=O)[*:1] COc1cc(ccc1OCC(=O)c1ccc(I)cc1)[*:1]
COC(=O)c1ccc(OCC(=O)c2ccc(I)cc2)c(OC)c1 Ic1ccc(cc1)[*:1] COC(=O)c1ccc(OCC(=O)[*:1])c(c1)OC
O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1 O=C([O-])[*:1] O=C(Cc1ccc(F)cc1F)N1CCC[C@H](C1)[*:1]
N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 N#CC[*:1] O=S(=O)(c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1])N1CCOCC1
N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 N#CCC[*:1] O=S(=O)(c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1])N1CCOCC1
N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 O=S(=O)(N1CCOCC1)[*:1] N#CCCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CCc1nnsc1C(=O)NCc1cc(OC)c(OC)c(OC)c1 CCc1nnsc1[*:1] COc1cc(cc(OC)c1OC)CNC(=O)[*:1]
CCCC(=O)NNC(=O)c1ccc(Cl)nc1 CCC[*:1] O=C(NNC(=O)[*:1])c1ccc(Cl)nc1
Cn1cccc(NC(=O)C(=O)N2CCC[C@](C)(c3ccccc3)C2)c1=O Cn1cccc(c1=O)[*:1] C[C@@]1(CCCN(C1)C(=O)C(=O)N[*:1])c1ccccc1
Cn1cccc(NC(=O)C(=O)N2CCC[C@](C)(c3ccccc3)C2)c1=O c1ccc(cc1)[*:1] Cn1cccc(NC(=O)C(=O)N2CCC[C@](C)(C2)[*:1])c1=O
O=C([O-])C1=C[C@@H](c2cccc(Br)c2)n2nnnc2N1 O=C([O-])[*:1] Brc1cccc(c1)[C@@H]1C=C(Nc2nnnn21)[*:1]
Cc1ccc(C)c(SCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1cccc(NC(=O)CN(C)C(=O)CS[*:1])c1C
Cc1ccc(C)c(SCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] Cc1ccc(C)c(c1)SCC(=O)N(C)CC(=O)N[*:1]
CCOC(=O)C[C@@]1(C)OC[C@@H](C[NH+]2CCCCC2)O1 CCOC(=O)[*:1] C[C@]1(C[*:1])OC[C@@H](C[NH+]2CCCCC2)O1
CCOC(=O)C[C@@]1(C)OC[C@@H](C[NH+]2CCCCC2)O1 CCOC(=O)C[*:1] C[C@]1(OC[C@@H](C[NH+]2CCCCC2)O1)[*:1]
CCCC[C@H](CC)CNC(=O)c1nc[nH]n1 CCCC[*:1] CC[C@H](CNC(=O)c1nc[nH]n1)[*:1]
CCCC[C@H](CC)CNC(=O)c1nc[nH]n1 CCC[*:1] CC[C@H](CNC(=O)c1nc[nH]n1)C[*:1]
CCCC[C@H](CC)CNC(=O)c1nc[nH]n1 c1nc(n[nH]1)[*:1] CCCC[C@H](CC)CNC(=O)[*:1]
COc1cccc(N2CCN(C(=O)c3cccc(OC)c3O)CC2)c1 COc1cccc(c1)[*:1] COc1cccc(C(=O)N2CCN(CC2)[*:1])c1O
CC(=O)c1csc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)c1 O=C(Nc1nccs1)[*:1] CC(=O)c1csc(c1)C(=O)N[C@H](CC(C)C)[*:1]
CC(=O)c1csc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)c1 c1csc(n1)[*:1] CC(=O)c1csc(c1)C(=O)N[C@H](CC(C)C)C(=O)N[*:1]
CC(=O)c1csc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)c1 CC(C)[*:1] CC(=O)c1csc(c1)C(=O)N[C@H](C[*:1])C(=O)Nc1nccs1
CC(=O)c1csc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)c1 CC(=O)[*:1] CC(C)C[C@@H](NC(=O)c1cc(cs1)[*:1])C(=O)Nc1nccs1
CC(=O)c1csc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)c1 CC(=O)c1csc(c1)[*:1] CC(C)C[C@@H](NC(=O)[*:1])C(=O)Nc1nccs1
CC(=O)c1csc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)c1 CC(C)C[*:1] CC(=O)c1csc(c1)C(=O)N[C@H](C(=O)Nc1nccs1)[*:1]
CCN(C(C)=O)c1nc(/C=C\c2nc3cc(OC)c(OC)cc3s2)cs1 CCN(C(C)=O)[*:1] COc1cc2nc(/C=C\c3csc(n3)[*:1])sc2cc1OC
O=C(NCc1nc2ccccc2[nH]1)c1cc(-n2cccc2)ccn1 c1ccn(c1)[*:1] O=C(NCc1nc2ccccc2[nH]1)c1cc(ccn1)[*:1]
Cn1c(Cl)cnc1COC(=O)c1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] Cn1c(Cl)cnc1COC(=O)c1csc(n1)[*:1]
Cn1c(Cl)cnc1COC(=O)c1csc(-c2ccsc2)n1 Cn1c(Cl)cnc1[*:1] O=C(OC[*:1])c1csc(n1)-c1ccsc1
COc1ccc(C2=C3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1NN([C@@H]2C(=O)N(C(=O)C=12)c1ccc(cc1)C(C)=O)[*:1]
COc1ccc(C2=C3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 CC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)C1NN(c2ccccc2)[C@@H]2C(=O)N(C(=O)C=12)[*:1]
COc1ccc(C2=C3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 CC(=O)[*:1] COc1ccc(cc1)C1NN(c2ccccc2)[C@@H]2C(=O)N(C(=O)C=12)c1ccc(cc1)[*:1]
COc1ccc(C2=C3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1C(=O)C2=C(NN(c3ccccc3)[C@@H]2C1=O)[*:1]
CCC[NH+]1CCc2c(sc(NC(=O)C3CCCC3)c2C(=O)OC)C1 C1CCC(C1)[*:1] CCC[NH+]1CCc2c(C1)sc(NC(=O)[*:1])c2C(=O)OC
CCC[NH+]1CCc2c(sc(NC(=O)C3CCCC3)c2C(=O)OC)C1 COC(=O)[*:1] CCC[NH+]1CCc2c(C1)sc(NC(=O)C1CCCC1)c2[*:1]
CCC[NH+]1CCc2c(sc(NC(=O)C3CCCC3)c2C(=O)OC)C1 O=C(N[*:1])C1CCCC1 CCC[NH+]1CCc2c(C1)sc(c2C(=O)OC)[*:1]
CCC[NH+]1CCc2c(sc(NC(=O)C3CCCC3)c2C(=O)OC)C1 CCC[*:1] COC(=O)c1c(NC(=O)C2CCCC2)sc2C[NH+](CCc21)[*:1]
Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CO)c(OCC2CC2)c1 C1CC1C[*:1] Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CO)c(c1)O[*:1]
Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CO)c(OCC2CC2)c1 C1CC1CO[*:1] Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CO)c(c1)[*:1]
Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CO)c(OCC2CC2)c1 C1CC1[*:1] Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CO)c(c1)OC[*:1]
O=c1oc2ccccc2c([O-])c1C(c1cccc(F)c1)c1c([O-])c2ccccc2oc1=O Fc1cccc(c1)[*:1] O=c1oc2ccccc2c([O-])c1C(c1c([O-])c2ccccc2oc1=O)[*:1]
CC1(C)CCCC[C@@H]1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] CC1(C)CCCC[C@@H]1NC(=O)N[C@H](c1ncon1)[*:1]
CC1(C)CCCC[C@@H]1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 CC1(C)CCCC[C@H]1[*:1] O=C(N[C@H](c1ccc(Cl)cc1)c1ncon1)N[*:1]
CC1(C)CCCC[C@@H]1NC(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] CC1(C)CCCC[C@@H]1NC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CCOc1ccccc1-c1cc(C(=O)N2CCOC(C)(C)C2)n[nH]1 CCO[*:1] CC1(C)CN(CCO1)C(=O)c1cc([nH]n1)-c1ccccc1[*:1]
CCOC(=O)[C@H](CC)n1cnc2sc(C(=O)OC)c(C)c2c1=O COC(=O)[*:1] CCOC(=O)[C@H](CC)n1cnc2sc(c(C)c2c1=O)[*:1]
CCOC(=O)[C@H](CC)n1cnc2sc(C(=O)OC)c(C)c2c1=O CCOC(=O)[*:1] CC[C@H](n1cnc2sc(C(=O)OC)c(C)c2c1=O)[*:1]
CCc1cnccc1C(=O)N[C@H](C)Cn1cncn1 c1ncn(C[*:1])n1 CCc1cnccc1C(=O)N[C@H](C)[*:1]
CCc1cnccc1C(=O)N[C@H](C)Cn1cncn1 c1ncn(n1)[*:1] CCc1cnccc1C(=O)N[C@H](C)C[*:1]
O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl Fc1ccc(cc1)C[*:1] O=C(N[*:1])c1cc(ccc1Cl)S(=O)(=O)N1CCCC1
O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl O=S(=O)(N1CCCC1)[*:1] O=C(NCc1ccc(F)cc1)c1cc(ccc1Cl)[*:1]
O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1cc(ccc1Cl)S(=O)(=O)N1CCCC1
O=C(NC(C1CC1)C1CC1)N[C@@H]1CCCN(Cc2ccccc2)C1=O C1CC1C(C1CC1)[*:1] O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)N[*:1]
O=C(NC(C1CC1)C1CC1)N[C@@H]1CCCN(Cc2ccccc2)C1=O C1CC1[*:1] O=C(NC(C1CC1)[*:1])N[C@@H]1CCCN(Cc2ccccc2)C1=O
O=C(NC(C1CC1)C1CC1)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(NC(C1CC1)C1CC1)N[C@@H]1CCCN(C[*:1])C1=O
O=C(NC(C1CC1)C1CC1)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] O=C(NC(C1CC1)C1CC1)N[C@@H]1CCCN(C1=O)[*:1]
C=CCn1c(=O)c2c(nc(N/N=C/c3cccc(OC)c3)n2C)n(C)c1=O COc1cccc(c1)[*:1] C=CCn1c(=O)c2c(nc(NN=C[*:1])n2C)n(C)c1=O
C=CCn1c(=O)c2c(nc(N/N=C/c3cccc(OC)c3)n2C)n(C)c1=O C=CC[*:1] COc1cccc(/C=N/Nc2nc3c(c(=O)n(c(=O)n3C)[*:1])n2C)c1
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl c1ccc2CN(CCc2c1)[*:1] O=C(NC[C@@H](c1cccnc1)[*:1])C(=O)Nc1ccccc1Cl
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)N[*:1]
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl c1cncc(c1)[*:1] O=C(NC[C@@H](N1CCc2ccccc2C1)[*:1])C(=O)Nc1ccccc1Cl
O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)Nc2cccs2)C1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)Nc1cccs1
O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)Nc2cccs2)C1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)Nc1cccs1
O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C(=O)Nc2cccs2)C1 c1csc(c1)[*:1] O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1ccccc1C1(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)CC1 Cc1ccccc1[*:1] O=C(Nc1cccc(c1)-c1ccc(=O)[nH]n1)C1(CC1)[*:1]
Cc1ccccc1C1(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)CC1 O=c1ccc(n[nH]1)[*:1] Cc1ccccc1C1(CC1)C(=O)Nc1cccc(c1)[*:1]
CCc1ccc(C2=C[C@H]3C(=O)N=N[C@H](SCC(=O)Nc4cccc(Br)c4)N3N2)cc1 CCc1ccc(cc1)[*:1] O=C(CS[C@H]1N=NC(=O)[C@@H]2C=C(NN21)[*:1])Nc1cccc(Br)c1
CCc1ccc(C2=C[C@H]3C(=O)N=N[C@H](SCC(=O)Nc4cccc(Br)c4)N3N2)cc1 O=C(Nc1cccc(Br)c1)[*:1] CCc1ccc(cc1)C1=C[C@H]2C(=O)N=N[C@H](SC[*:1])N2N1
CCc1ccc(C2=C[C@H]3C(=O)N=N[C@H](SCC(=O)Nc4cccc(Br)c4)N3N2)cc1 Brc1cccc(c1)[*:1] CCc1ccc(cc1)C1=C[C@H]2C(=O)N=N[C@H](SCC(=O)N[*:1])N2N1
Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)no1 Fc1ccccc1[*:1] Cc1cc(no1)N1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1[*:1]
Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)no1 Cc1cc(no1)[*:1] Cc1cc2oc3C(=O)N([C@@H](c4ccccc4F)c3c(=O)c2cc1Cl)[*:1]
Cc1cccc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)Cn2ccn3nc(cc3c2=O)[*:1])c1C
Cc1cccc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)c1C Cc1cccc(c1C)[*:1] O=C(Cn1ccn2nc(cc2c1=O)-c1ccccc1)N[*:1]
CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2 c1ccc(cc1)CC[*:1] CN1C(=O)N(C(=O)C12CC[NH+](CC2)Cc1cn(C)c2ccccc12)[*:1]
CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2 c1ccc(cc1)C[*:1] CN1C(=O)N(C[*:1])C(=O)C12CC[NH+](CC2)Cc1cn(C)c2ccccc12
CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2 c1ccc(cc1)[*:1] CN1C(=O)N(CC[*:1])C(=O)C12CC[NH+](CC2)Cc1cn(C)c2ccccc12
CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2 Cn1cc(c2ccccc21)[*:1] CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](CC2)C[*:1]
CCn1ccc([C@@H](C)NC(=O)c2cnn([C@H](C)C(=O)[O-])c2)n1 CCn1ccc(n1)[*:1] C[C@H](C(=O)[O-])n1cc(cn1)C(=O)N[C@H](C)[*:1]
CCn1ccc([C@@H](C)NC(=O)c2cnn([C@H](C)C(=O)[O-])c2)n1 O=C([O-])[*:1] CCn1ccc(n1)[C@@H](C)NC(=O)c1cnn(c1)[C@H](C)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 CCC[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccc(C#N)cc1)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 N#Cc1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)c1ccc(cc1)S(C)(=O)=O
CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(cc1)[*:1]
CC(C)COc1ccc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 CC(C)C[*:1] O=C(NCc1ccc(cc1)O[*:1])N[C@H]1CC(=O)N(C1)C1CC1
CC(C)COc1ccc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 C1CC1[*:1] CC(C)COc1ccc(cc1)CNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
CC(C)COc1ccc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)OC[*:1])N[C@H]1CC(=O)N(C1)C1CC1
CC(C)COc1ccc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 CC(C)CO[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@H]1CC(=O)N(C1)C1CC1
CCc1nc(SCCO)c2oc3ccccc3c2n1 OCC[*:1] CCc1nc(S[*:1])c2oc3ccccc3c2n1
CCc1nc(SCCO)c2oc3ccccc3c2n1 OCCS[*:1] CCc1nc(c2oc3ccccc3c2n1)[*:1]
NC(=O)c1cccc(CCNC(=O)NCCC2CCCC2)c1 C1CCC(C1)[*:1] NC(=O)c1cccc(c1)CCNC(=O)NCC[*:1]
NC(=O)c1cccc(CCNC(=O)NCCC2CCCC2)c1 C1CCC(C1)CC[*:1] NC(=O)c1cccc(c1)CCNC(=O)N[*:1]
NC(=O)c1cccc(CCNC(=O)NCCC2CCCC2)c1 C1CCC(C1)C[*:1] NC(=O)c1cccc(c1)CCNC(=O)NC[*:1]
NC(=O)c1cccc(CCNC(=O)NCCC2CCCC2)c1 NC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])NCCC1CCCC1
Cc1[nH]ncc1CCCNC(=O)N1CCC[C@@H]1C1CCCC1 Cc1[nH]ncc1C[*:1] O=C(NCC[*:1])N1CCC[C@@H]1C1CCCC1
Cc1[nH]ncc1CCCNC(=O)N1CCC[C@@H]1C1CCCC1 Cc1[nH]ncc1[*:1] O=C(NCCC[*:1])N1CCC[C@@H]1C1CCCC1
Cc1[nH]ncc1CCCNC(=O)N1CCC[C@@H]1C1CCCC1 C1CCC(C1)[*:1] Cc1[nH]ncc1CCCNC(=O)N1CCC[C@H]1[*:1]
C/[NH+]=C(/NCc1coc(-c2ccccc2)n1)N1CCc2ccccc21 c1ccc(cc1)[*:1] C/[NH+]=C(/NCc1coc(n1)[*:1])N1CCc2ccccc21
CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 CCc1ccc(cc1)[*:1] Cc1c(NC(=O)[C@@H](C)OC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
C/C(=C\c1ccccc1[N+](=O)[O-])C[NH2+]C(C)C O=[N+]([O-])[*:1] C/C(=C\c1ccccc1[*:1])C[NH2+]C(C)C
C/C(=C\c1ccccc1[N+](=O)[O-])C[NH2+]C(C)C CC(C)[*:1] C/C(=C\c1ccccc1[N+](=O)[O-])C[NH2+][*:1]
NC(=O)[C@H]1CN(C(=O)Nc2ccccc2Oc2ccccc2)CCO1 NC(=O)[*:1] O=C(Nc1ccccc1Oc1ccccc1)N1CCO[C@H](C1)[*:1]
NC(=O)[C@H]1CN(C(=O)Nc2ccccc2Oc2ccccc2)CCO1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CN(CCO1)C(=O)Nc1ccccc1O[*:1]
NC(=O)[C@H]1CN(C(=O)Nc2ccccc2Oc2ccccc2)CCO1 c1ccc(cc1)O[*:1] NC(=O)[C@H]1CN(CCO1)C(=O)Nc1ccccc1[*:1]
O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1C[*:1]
O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ccc(Br)cc1 Brc1ccc(cc1)C[*:1] O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1[*:1]
COc1ccc(N2C(=O)C[C@H](Nc3c[nH]c(=O)[nH]c3=O)C2=O)cc1 COc1ccc(cc1)[*:1] O=C1C[C@H](Nc2c[nH]c(=O)[nH]c2=O)C(=O)N1[*:1]
COc1ccc(N2C(=O)C[C@H](Nc3c[nH]c(=O)[nH]c3=O)C2=O)cc1 O=c1[nH]cc(c(=O)[nH]1)[*:1] COc1ccc(cc1)N1C(=O)C[C@H](N[*:1])C1=O
CCc1ccc(Nc2ncnc(N3CCCCC3)c2N)cc1 C1CCN(CC1)[*:1] CCc1ccc(cc1)Nc1ncnc(c1N)[*:1]
C[C@H](CNc1cc(-n2ccnc2)ncn1)c1nc(-c2ccccc2)no1 c1cn(cn1)[*:1] C[C@H](CNc1cc(ncn1)[*:1])c1nc(no1)-c1ccccc1
C[C@H](CNc1cc(-n2ccnc2)ncn1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](CNc1cc(ncn1)-n1ccnc1)c1nc(no1)[*:1]
CCCSc1nc2scc(-c3cccs3)c2c(=O)n1CC CCC[*:1] CCn1c(nc2scc(-c3cccs3)c2c1=O)S[*:1]
CCCSc1nc2scc(-c3cccs3)c2c(=O)n1CC CCCS[*:1] CCn1c(nc2scc(-c3cccs3)c2c1=O)[*:1]
CCCSc1nc2scc(-c3cccs3)c2c(=O)n1CC c1csc(c1)[*:1] CCCSc1nc2scc(c2c(=O)n1CC)[*:1]
CC(C)[C@H](CO)Nc1ccc(C(F)(F)F)cc1N CC(C)[C@H](CO)[*:1] Nc1cc(ccc1N[*:1])C(F)(F)F
CC(C)[C@H](CO)Nc1ccc(C(F)(F)F)cc1N FC(F)(F)[*:1] CC(C)[C@H](CO)Nc1ccc(cc1N)[*:1]
CC(C)[C@H](CO)Nc1ccc(C(F)(F)F)cc1N CC(C)[*:1] Nc1cc(ccc1N[C@@H](CO)[*:1])C(F)(F)F
C=CCN1CC[C@]2(CCC1=O)CN(C(=O)COC)CCN2C COC[*:1] C=CCN1CC[C@]2(CCC1=O)CN(CCN2C)C(=O)[*:1]
C=CCN1CC[C@]2(CCC1=O)CN(C(=O)COC)CCN2C C=CC[*:1] COCC(=O)N1CCN(C)[C@@]2(CCC(=O)N(CC2)[*:1])C1
O=C([O-])CCCCC(=O)NC(=O)NC1CC1 O=C([O-])[*:1] O=C(CCCC[*:1])NC(=O)NC1CC1
O=C([O-])CCCCC(=O)NC(=O)NC1CC1 C1CC1[*:1] O=C([O-])CCCCC(=O)NC(=O)N[*:1]
O=C([O-])CCCCC(=O)NC(=O)NC1CC1 O=C([O-])CC[*:1] O=C(CC[*:1])NC(=O)NC1CC1
O=C([O-])CCCCC(=O)NC(=O)NC1CC1 O=C([O-])C[*:1] O=C(CCC[*:1])NC(=O)NC1CC1
CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c2ccccc21 CCOC(=O)C[*:1] Cc1cc2OC(N)=C(C#N)[C@]3(C(=O)N(c4ccccc43)[*:1])c2c(=O)n1C
CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)c2ccccc21 CCOC(=O)[*:1] Cc1cc2OC(N)=C(C#N)[C@]3(C(=O)N(C[*:1])c4ccccc43)c2c(=O)n1C
CCN(CC)c1nc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1C#N c1cc(ccn1)[*:1] CCN(CC)c1nc(nc(-c2ccc(Cl)cc2)c1C#N)[*:1]
CCN(CC)c1nc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1C#N Clc1ccc(cc1)[*:1] CCN(CC)c1nc(nc(c1C#N)[*:1])-c1ccncc1
CCN(CC)c1nc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1C#N CCN(CC)[*:1] N#Cc1c(nc(nc1[*:1])-c1ccncc1)-c1ccc(Cl)cc1
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] COC(=O)Cn1cc(c2cc(ccc21)[*:1])S(=O)(=O)[N-]c1cccc(Cl)c1
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c2cc([N+](=O)[O-])ccc21 COC(=O)[*:1] O=[N+]([O-])c1ccc2c(c1)c(cn2C[*:1])S(=O)(=O)[N-]c1cccc(Cl)c1
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c2cc([N+](=O)[O-])ccc21 Clc1cccc(c1)[*:1] COC(=O)Cn1cc(c2cc(ccc21)[N+](=O)[O-])S(=O)(=O)[N-][*:1]
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c2cc([N+](=O)[O-])ccc21 COC(=O)C[*:1] O=[N+]([O-])c1ccc2c(c1)c(cn2[*:1])S(=O)(=O)[N-]c1cccc(Cl)c1
O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N(CCc1cccs1)Cc1ccco1 c1coc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1)N(CCc1cccs1)C[*:1]
O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N(CCc1cccs1)Cc1ccco1 c1csc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1)N(CC[*:1])Cc1ccco1
O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N(CCc1cccs1)Cc1ccco1 c1coc(c1)C[*:1] O=C1C[C@H](CN1c1ccc(Cl)cc1)C(=O)N(CCc1cccs1)[*:1]
O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N(CCc1cccs1)Cc1ccco1 c1csc(c1)C[*:1] O=C([C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1)N(Cc1ccco1)C[*:1]
O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N(CCc1cccs1)Cc1ccco1 Clc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N(CCc1cccs1)Cc1ccco1
O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N(CCc1cccs1)Cc1ccco1 c1csc(c1)CC[*:1] O=C1C[C@H](CN1c1ccc(Cl)cc1)C(=O)N(Cc1ccco1)[*:1]
COc1cccc(CNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1 COc1cccc(c1)C[*:1] O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N[*:1]
COc1cccc(CNC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1 COc1cccc(c1)[*:1] O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NC[*:1]
O=C(CC[C@@H]1NC(=O)NC1=O)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(CC[C@@H]1NC(=O)NC1=O)NC[*:1]
Cc1ccc(NC(=O)Cc2coc3ccc(Br)cc23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)Cc1coc2ccc(Br)cc12
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccnc2ccc(F)cc12 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])Nc1ccnc2ccc(F)cc12
CC(C)[C@H]1CCCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1 CC(C)[*:1] O=C(C1CCN(CC1)C(=O)N1CCCC1)N1CCC[C@@H](CC1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)CCOc1ccc(C=O)cc1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)CCOc1ccc(C=O)cc1)[*:1]
O=C(NCc1ccc(-n2ccnc2)nc1)C(=O)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(NCc1ccc(nc1)-n1ccnc1)C(=O)N[*:1]
O=C(NCc1ccc(-n2ccnc2)nc1)C(=O)Nc1c(F)cccc1F c1cn(cn1)[*:1] O=C(NCc1ccc(nc1)[*:1])C(=O)Nc1c(F)cccc1F
CNC(=O)c1cc(Cl)c(NC(=O)C2=C(C)OCCS2)cc1OC CNC(=O)[*:1] COc1cc(NC(=O)C2SCCOC=2C)c(Cl)cc1[*:1]
[NH3+]CC1(NC(=O)N[C@H]2CCOC2)CCCCC1 C1C[C@@H](CO1)[*:1] [NH3+]CC1(CCCCC1)NC(=O)N[*:1]
CC[C@@H](C)C(=O)c1ccc(C)c(F)c1 CC[C@@H](C)[*:1] Cc1ccc(cc1F)C(=O)[*:1]
Cc1nc([N+](=O)[O-])cn1/C=C/Cn1cc([N+](=O)[O-])nc1C O=[N+]([O-])[*:1] Cc1nc(cn1/C=C/Cn1cc(nc1C)[N+](=O)[O-])[*:1]
Cc1nc([N+](=O)[O-])cn1/C=C/Cn1cc([N+](=O)[O-])nc1C O=[N+]([O-])[*:1] Cc1nc(cn1/C=C/Cn1cc(nc1C)[*:1])[N+](=O)[O-]
Cc1cccc(CCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1 Cc1cccc(c1)[*:1] O=C(CC[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
Cc1cccc(CCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1 c1cnc(nc1)[*:1] Cc1cccc(c1)CCC(=O)NC[C@@H]1CCCN(C1)[*:1]
Cc1cccc(CCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1 Cc1cccc(c1)C[*:1] O=C(C[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
CC[C@](C)(NC(=O)N1Cc2ccccc2C1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)N1Cc2ccccc2C1)[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COc1ccccn1 c1ccc(nc1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CO[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COc1ccccn1 c1ccc(nc1)O[*:1] C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[*:1]
C=C1C[C@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O CC(=O)O[*:1] C=C1C[C@H]2[C@H]3CC=C4C[C@@H](CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O)[*:1]
COC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)cc1N O=[N+]([O-])[*:1] COC(=O)c1sc(cc1N)-c1ccc(cc1)[*:1]
COC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)cc1N COC(=O)[*:1] Nc1cc(sc1[*:1])-c1ccc(cc1)[N+](=O)[O-]
CCN(C(=O)NCCCn1nc2n(c1=O)CCCC2)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)NCCCn1nc2CCCCn2c1=O)[*:1]
NC(=O)C1CCN(C(=O)COC(=O)c2cc3c(s2)CCCCCC3)CC1 NC(=O)[*:1] O=C(OCC(=O)N1CCC(CC1)[*:1])c1cc2CCCCCCc2s1
Cc1c(Cl)c(C(F)(F)F)nn1CCC(=O)N1[C@H](C)CCC[C@H]1C FC(F)(F)[*:1] Cc1c(Cl)c(nn1CCC(=O)N1[C@H](C)CCC[C@H]1C)[*:1]
COC(=O)[C@@H](C)NC(=O)NCc1cccn1Cc1cccc(C)c1 COC(=O)[*:1] Cc1cccc(c1)Cn1cccc1CNC(=O)N[C@H](C)[*:1]
COC(=O)[C@@H](C)NC(=O)NCc1cccn1Cc1cccc(C)c1 Cc1cccc(c1)[*:1] COC(=O)[C@@H](C)NC(=O)NCc1cccn1C[*:1]
COC(=O)[C@@H](C)NC(=O)NCc1cccn1Cc1cccc(C)c1 Cc1cccc(c1)C[*:1] COC(=O)[C@@H](C)NC(=O)NCc1cccn1[*:1]
COC(=O)[C@@H](C)NC(=O)NCc1cccn1Cc1cccc(C)c1 COC(=O)[C@@H](C)[*:1] Cc1cccc(c1)Cn1cccc1CNC(=O)N[*:1]
CCNc1nc([C@H]2CSCCO2)nc2c1CCCC2 CCN[*:1] C1CCc2c(C1)nc(nc2[*:1])[C@H]1CSCCO1
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cccc(Oc3ccncc3)c2)C1 c1cc(ccn1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)O[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cccc(Oc3ccncc3)c2)C1 c1cc(ccn1)O[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)[*:1]
Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 CC(C)Oc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 Cc1ccccc1NC(=O)[*:1] CC(C)Oc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 CC(C)O[*:1] Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 Cc1ccccc1[*:1] CC(C)Oc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 CC(C)[*:1] Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)O[*:1]
COC(=O)[C@H](NC(=O)c1cccc2ccccc12)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)c1cccc2ccccc12)[*:1]
COC(=O)[C@H](NC(=O)c1cccc2ccccc12)C(C)C COC(=O)[*:1] CC(C)[C@@H](NC(=O)c1cccc2ccccc12)[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@H]1[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1CN1CCOCC1 C1CO[C@@H](C1)CO[*:1] C[C@@H](C(=O)N1CCC[C@@H]1CN1CCOCC1)[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1C[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1CN1CCOCC1 C1CO[C@@H](C1)C[*:1] C[C@@H](O[*:1])C(=O)N1CCC[C@@H]1CN1CCOCC1
C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1CN1CCOCC1 C1CO[C@@H](C1)[*:1] C[C@@H](OC[*:1])C(=O)N1CCC[C@@H]1CN1CCOCC1
CCCNc1ncnc2c1cnn2CCNC(=O)C1CC1 CCC[*:1] O=C(NCCn1ncc2c(ncnc21)N[*:1])C1CC1
CCCNc1ncnc2c1cnn2CCNC(=O)C1CC1 O=C(NC[*:1])C1CC1 CCCNc1ncnc2c1cnn2C[*:1]
CCCNc1ncnc2c1cnn2CCNC(=O)C1CC1 O=C(N[*:1])C1CC1 CCCNc1ncnc2c1cnn2CC[*:1]
CCCNc1ncnc2c1cnn2CCNC(=O)C1CC1 CCCN[*:1] O=C(NCCn1ncc2c(ncnc21)[*:1])C1CC1
CCCNc1ncnc2c1cnn2CCNC(=O)C1CC1 C1CC1[*:1] CCCNc1ncnc2c1cnn2CCNC(=O)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] Cc1noc(C)c1[C@H](C)C(=O)N1CCN(CC1)[C@H](C)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 Cc1noc(C)c1[*:1] C[C@H](C(=O)N1CCN(CC1)[C@H](C)C(=O)N1CCCC1)[*:1]
C[C@@H](NC(=O)CCCn1ccnn1)[C@@H](O)c1ccc(Br)cc1 c1cn(CC[*:1])nn1 C[C@@H](NC(=O)C[*:1])[C@@H](O)c1ccc(Br)cc1
C[C@@H](NC(=O)CCCn1ccnn1)[C@@H](O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCCn1ccnn1)[C@@H](O)[*:1]
C[C@@H](NC(=O)CCCn1ccnn1)[C@@H](O)c1ccc(Br)cc1 c1cn(C[*:1])nn1 C[C@@H](NC(=O)CC[*:1])[C@@H](O)c1ccc(Br)cc1
C[C@@H](NC(=O)CCCn1ccnn1)[C@@H](O)c1ccc(Br)cc1 c1cn(nn1)[*:1] C[C@@H](NC(=O)CCC[*:1])[C@@H](O)c1ccc(Br)cc1
O=C(CN1CC(=O)N2CCC[C@@H]2C1=O)c1sccc1Br Brc1ccsc1[*:1] O=C1[C@H]2CCCN2C(=O)CN1CC(=O)[*:1]
Cc1cn(-c2ccccc2)nc1NC(=O)N[C@H]1CCc2[nH]ncc2C1 c1ccc(cc1)[*:1] Cc1cn(nc1NC(=O)N[C@H]1CCc2[nH]ncc2C1)[*:1]
O=C(Cc1nc2c(F)cccc2n1C1CC1)C(F)(F)F O=C(C(F)(F)F)[*:1] Fc1cccc2c1nc(C[*:1])n2C1CC1
O=C(Cc1nc2c(F)cccc2n1C1CC1)C(F)(F)F C1CC1[*:1] O=C(Cc1nc2c(F)cccc2n1[*:1])C(F)(F)F
O=C(Cc1nc2c(F)cccc2n1C1CC1)C(F)(F)F FC(F)(F)[*:1] O=C(Cc1nc2c(F)cccc2n1C1CC1)[*:1]
C[C@@H]1C[NH+](Cc2ccccc2/C=C/C(=O)[O-])C[C@H]1C O=C([O-])C=C[*:1] C[C@@H]1C[NH+](Cc2ccccc2[*:1])C[C@H]1C
C[C@@H]1C[NH+](Cc2ccccc2/C=C/C(=O)[O-])C[C@H]1C O=C([O-])[*:1] C[C@@H]1C[NH+](Cc2ccccc2C=C[*:1])C[C@H]1C
CC(C)n1cc(C(C)(C)C)cc1C#N CC(C)[*:1] CC(C)(C)c1cc(C#N)n(c1)[*:1]
CC(C)n1cc(C(C)(C)C)cc1C#N CC(C)(C)[*:1] CC(C)n1cc(cc1C#N)[*:1]
CCOc1cc(C(F)(F)F)n(-c2ccccc2N)n1 FC(F)(F)[*:1] CCOc1cc(n(n1)-c1ccccc1N)[*:1]
CCOc1cc(C(F)(F)F)n(-c2ccccc2N)n1 CCO[*:1] Nc1ccccc1-n1nc(cc1C(F)(F)F)[*:1]
CCc1ccc(C2=Nc3nnnn3[C@H](c3ccc(OC)c(OC)c3)C2)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=Nc2nnnn21)[*:1]
CN(C)c1ccc(C(=O)N[C@@H]2CCCCC2(C)C)cc1N CN(C)[*:1] CC1(C)CCCC[C@H]1NC(=O)c1ccc(c(N)c1)[*:1]
CC(=O)c1c(C)nn(CC(=O)N2C[C@@H]([NH+](C)C)[C@H](c3ccc(C)cc3)C2)c1C CC(=O)[*:1] Cc1ccc(cc1)[C@@H]1CN(C[C@H]1[NH+](C)C)C(=O)Cn1nc(C)c(c1C)[*:1]
CC(=O)c1c(C)nn(CC(=O)N2C[C@@H]([NH+](C)C)[C@H](c3ccc(C)cc3)C2)c1C Cc1ccc(cc1)[*:1] CC(=O)c1c(C)nn(CC(=O)N2C[C@H]([C@H](C2)[*:1])[NH+](C)C)c1C
Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)C[S@@](=O)C3)c(C)c1 C1CCC(C1)C[*:1] Cc1ccc(c(C)c1)-n1nc2C[S@](=O)Cc2c1NC(=O)C[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)C[S@@](=O)C3)c(C)c1 C1CCC(C1)CC[*:1] Cc1ccc(c(C)c1)-n1nc2C[S@](=O)Cc2c1NC(=O)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)C[S@@](=O)C3)c(C)c1 C1CCC(C1)[*:1] Cc1ccc(c(C)c1)-n1nc2C[S@](=O)Cc2c1NC(=O)CC[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCC2)C[S@@](=O)C3)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CCC1CCCC1)Nc1c2C[S@@](=O)Cc2nn1[*:1]
C[NH+](Cc1cnn(-c2ccccc2)c1)Cn1ncn(C(C)(C)C)c1=S c1ccc(cc1)[*:1] C[NH+](Cc1cnn(c1)[*:1])Cn1ncn(c1=S)C(C)(C)C
C[NH+](Cc1cnn(-c2ccccc2)c1)Cn1ncn(C(C)(C)C)c1=S CC(C)(C)[*:1] C[NH+](Cc1cnn(c1)-c1ccccc1)Cn1ncn(c1=S)[*:1]
Cn1nc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)ccc1=O c1cc2OCOc2cc1[*:1] Cn1nc(ccc1=O)C(=O)N(C[*:1])C1CCCCC1
Cn1nc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)ccc1=O C1CCC(CC1)[*:1] Cn1nc(ccc1=O)C(=O)N(Cc1ccc2OCOc2c1)[*:1]
Cn1nc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)ccc1=O Cn1nc(ccc1=O)[*:1] O=C(N(Cc1ccc2OCOc2c1)C1CCCCC1)[*:1]
CC[C@H](C)NC(=O)Nc1ccc2nc(C(C)C)sc2c1 CC[C@H](C)[*:1] CC(C)c1nc2ccc(cc2s1)NC(=O)N[*:1]
CC[C@H](C)NC(=O)Nc1ccc2nc(C(C)C)sc2c1 CC(C)[*:1] CC[C@H](C)NC(=O)Nc1ccc2nc(sc2c1)[*:1]
CC[C@H](CS)CN(CC)CC(F)(F)F FC(F)(F)[*:1] CC[C@H](CS)CN(CC)C[*:1]
CCOC(=O)NCC1CCN(C(=O)c2cnccn2)CC1 CCOC(=O)N[*:1] O=C(c1cnccn1)N1CCC(CC1)C[*:1]
CCOC(=O)NCC1CCN(C(=O)c2cnccn2)CC1 CCOC(=O)NC[*:1] O=C(c1cnccn1)N1CCC(CC1)[*:1]
CCOC(=O)NCC1CCN(C(=O)c2cnccn2)CC1 c1cnc(cn1)[*:1] CCOC(=O)NCC1CCN(CC1)C(=O)[*:1]
CCCC[C@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)[O-] CCCC[*:1] O=C([O-])[C@@H](NS(=O)(=O)c1cccc(Br)c1)[*:1]
CCCC[C@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)[O-] O=C([O-])[*:1] CCCC[C@H](NS(=O)(=O)c1cccc(Br)c1)[*:1]
CCCC[C@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)[O-] CCC[*:1] O=C([O-])[C@H](C[*:1])NS(=O)(=O)c1cccc(Br)c1
Nc1nc(N2CCC(c3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(ncc1[*:1])N1CCC(CC1)c1ccc(F)cc1
Nc1nc(N2CCC(c3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Nc1nc(ncc1[N+](=O)[O-])N1CCC(CC1)[*:1]
OCC#CC[N+]1(CC#Cc2ccccc2)CCOCC1 OCC#CC[*:1] C(#Cc1ccccc1)C[N+]1(CCOCC1)[*:1]
OCC#CC[N+]1(CC#Cc2ccccc2)CCOCC1 OCC#C[*:1] C(#Cc1ccccc1)C[N+]1(CCOCC1)C[*:1]
OCC#CC[N+]1(CC#Cc2ccccc2)CCOCC1 c1ccc(cc1)[*:1] OCC#CC[N+]1(CC#C[*:1])CCOCC1
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NC[*:1]
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)N[*:1]
Cc1ccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1
CCO[C@H]1C[C@H](NC(=O)NCc2ccc(NC(=O)C(C)C)cc2)C12CCC2 CC(C)[*:1] CCO[C@H]1C[C@H](NC(=O)NCc2ccc(cc2)NC(=O)[*:1])C12CCC2
CCO[C@H]1C[C@H](NC(=O)NCc2ccc(NC(=O)C(C)C)cc2)C12CCC2 CCO[*:1] CC(C)C(=O)Nc1ccc(cc1)CNC(=O)N[C@H]1C[C@@H](C12CCC2)[*:1]
CCO[C@H]1C[C@H](NC(=O)NCc2ccc(NC(=O)C(C)C)cc2)C12CCC2 CC(C)C(=O)N[*:1] CCO[C@H]1C[C@H](NC(=O)NCc2ccc(cc2)[*:1])C12CCC2
COc1ccc(N([C@H](C)C2CC2)S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 C1CC1[*:1] COc1ccc(cc1)N([C@H](C)[*:1])S(=O)(=O)c1ccc(cc1)C(N)=O
COc1ccc(N([C@H](C)C2CC2)S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] COc1ccc(cc1)N([C@H](C)C1CC1)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(N([C@H](C)C2CC2)S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H](C1CC1)N(S(=O)(=O)c1ccc(cc1)C(N)=O)[*:1]
CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)N[C@@H](CO)c2cccc(OC)c2)C1 COc1cccc(c1)[*:1] CC[S@@](=O)[C@H]1CCC[C@@H](C1)NC(=O)N[C@@H](CO)[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2ccncc2)n[nH]1 c1cc(ccn1)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1cc(n[nH]1)[*:1]
CCOC(=O)c1nc(C)n(-c2cc(C)cc(F)c2)c1N CCOC(=O)[*:1] Cc1cc(F)cc(c1)-n1c(C)nc(c1N)[*:1]
COc1cccc(CNC(=O)N(Cc2ccccc2)C2CC2)c1OC c1ccc(cc1)C[*:1] COc1cccc(CNC(=O)N(C2CC2)[*:1])c1OC
COc1cccc(CNC(=O)N(Cc2ccccc2)C2CC2)c1OC C1CC1[*:1] COc1cccc(CNC(=O)N(Cc2ccccc2)[*:1])c1OC
COc1cccc(CNC(=O)N(Cc2ccccc2)C2CC2)c1OC c1ccc(cc1)[*:1] COc1cccc(CNC(=O)N(C[*:1])C2CC2)c1OC
Cc1csc([C@@H]2CCCN(C(=O)[C@H]3Cc4cc(F)ccc4O3)C2)n1 Cc1csc(n1)[*:1] O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](C1)[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 C=CCOc1cccc(c1)[*:1] Cc1ccc2oc3C(=O)N(CC[NH+](C)C)[C@@H](c3c(=O)c2c1)[*:1]
C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 C=CC[*:1] Cc1ccc2oc3C(=O)N(CC[NH+](C)C)[C@H](c4cccc(c4)O[*:1])c3c(=O)c2c1
C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 C=CCO[*:1] Cc1ccc2oc3C(=O)N(CC[NH+](C)C)[C@H](c4cccc(c4)[*:1])c3c(=O)c2c1
C=CCOc1c(F)cc(C[C@H](C)[NH3+])cc1F C=CC[*:1] C[C@H]([NH3+])Cc1cc(F)c(O[*:1])c(F)c1
C=CCOc1c(F)cc(C[C@H](C)[NH3+])cc1F C=CCO[*:1] C[C@H]([NH3+])Cc1cc(F)c(c(F)c1)[*:1]
Cc1nnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)s1 Cc1nnc(s1)[*:1] Fc1ccc(cc1F)[C@H]1CN(CCO1)[*:1]
CC(C)NC(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 CC(C)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N[*:1]
Cc1csc(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n1 Cc1csc(n1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)S[*:1]
Cc1csc(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n1 Cc1csc(n1)S[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)[*:1]
CC[C@@H](Sc1ccc2nnc(-c3cccnc3)n2n1)C(=O)OC COC(=O)[*:1] CC[C@@H](Sc1ccc2nnc(-c3cccnc3)n2n1)[*:1]
CC[C@@H](Sc1ccc2nnc(-c3cccnc3)n2n1)C(=O)OC c1cncc(c1)[*:1] CC[C@@H](Sc1ccc2nnc(n2n1)[*:1])C(=O)OC
COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 COc1ccccc1[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
CCS(=O)(=O)CC(=O)O[C@@H](C)c1ccc2cc(OC)ccc2c1 CCS(=O)(=O)C[*:1] COc1ccc2cc(ccc2c1)[C@H](C)OC(=O)[*:1]
CCS(=O)(=O)CC(=O)O[C@@H](C)c1ccc2cc(OC)ccc2c1 CCS(=O)(=O)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)OC(=O)C[*:1]
CCOc1cccc(NC(=O)N(Cc2ccccc2)C2CC2)c1 C1CC1[*:1] CCOc1cccc(c1)NC(=O)N(Cc1ccccc1)[*:1]
CCOc1cccc(NC(=O)N(Cc2ccccc2)C2CC2)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)NC(=O)N(C[*:1])C1CC1
CCOc1cccc(NC(=O)N(Cc2ccccc2)C2CC2)c1 CCO[*:1] O=C(Nc1cccc(c1)[*:1])N(Cc1ccccc1)C1CC1
CCOc1cccc(NC(=O)N(Cc2ccccc2)C2CC2)c1 c1ccc(cc1)C[*:1] CCOc1cccc(c1)NC(=O)N(C1CC1)[*:1]
CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)cc1 CCOc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)c1ccccc1NC(=O)[*:1]
CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)cc1 CCO[*:1] COc1cccc(c1)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)cc1 COc1cccc(c1)[*:1] CCOc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
CCNC(=O)NC(=O)CN1C(=O)C/C(=C/c2ccc(F)cc2)C1=O CCNC(=O)NC(=O)[*:1] O=C1C/C(=C/c2ccc(F)cc2)C(=O)N1C[*:1]
CCNC(=O)NC(=O)CN1C(=O)C/C(=C/c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] CCNC(=O)NC(=O)CN1C(=O)CC(=C[*:1])C1=O
Cc1cccc(CCC(=O)NNc2ccccc2[N+](=O)[O-])c1 Cc1cccc(c1)[*:1] O=C(CC[*:1])NNc1ccccc1[N+](=O)[O-]
Cc1cccc(CCC(=O)NNc2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cccc(c1)CCC(=O)NNc1ccccc1[*:1]
O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(NC1CC1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 C1CC1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 O=C(NC1CC1)[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C1)[*:1]
COCCOc1cccc(NC(=O)CBr)c1 O=C(CBr)N[*:1] COCCOc1cccc(c1)[*:1]
COCCOc1cccc(NC(=O)CBr)c1 COCCO[*:1] O=C(CBr)Nc1cccc(c1)[*:1]
COCCOc1cccc(NC(=O)CBr)c1 COCC[*:1] O=C(CBr)Nc1cccc(c1)O[*:1]
COCCOc1cccc(NC(=O)CBr)c1 COC[*:1] O=C(CBr)Nc1cccc(c1)OC[*:1]
Cc1ccc(C(=O)N2CCC(C(=O)NCCc3csc(-c4cccs4)n3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1csc(n1)-c1cccs1)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCC(C(=O)NCCc3csc(-c4cccs4)n3)CC2)cc1 c1csc(c1)-c1nc(cs1)[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NCC[*:1]
Cc1ccc(C(=O)N2CCC(C(=O)NCCc3csc(-c4cccs4)n3)CC2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NCCc1csc(n1)[*:1]
CCOCCCNC(=O)NCc1cc2ccccc2o1 CCOCCC[*:1] O=C(NCc1cc2ccccc2o1)N[*:1]
CCOCCCNC(=O)NCc1cc2ccccc2o1 CCOC[*:1] O=C(NCC[*:1])NCc1cc2ccccc2o1
CCOCCCNC(=O)NCc1cc2ccccc2o1 CCO[*:1] O=C(NCCC[*:1])NCc1cc2ccccc2o1
CCOCCCNC(=O)NCc1cc2ccccc2o1 CCOCC[*:1] O=C(NCc1cc2ccccc2o1)NC[*:1]
CS(=O)(=O)N1C[C@@H]2CN(C(=O)c3ccco3)C[C@]2(C(=O)[O-])C1 c1coc(c1)[*:1] CS(=O)(=O)N1C[C@@H]2CN(C[C@@]2(C1)C(=O)[O-])C(=O)[*:1]
CS(=O)(=O)N1C[C@@H]2CN(C(=O)c3ccco3)C[C@]2(C(=O)[O-])C1 O=C([O-])[*:1] CS(=O)(=O)N1C[C@@H]2CN(C[C@@]2(C1)[*:1])C(=O)c1ccco1
Cc1c(C(=O)N(C)Cc2ccccc2C(F)(F)F)[nH]c2c1C(=O)CCC2 FC(F)(F)[*:1] Cc1c([nH]c2CCCC(=O)c21)C(=O)N(C)Cc1ccccc1[*:1]
CC(C)c1nn(C)c(Cl)c1[C@@H](O)c1ccc(Cl)cc1 CC(C)[*:1] Cn1nc(c(c1Cl)[C@@H](O)c1ccc(Cl)cc1)[*:1]
COC(=O)c1cccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)n1 Cc1cccc(c1C)[*:1] COC(=O)c1cccc(n1)C(=O)N1CCN(CC1)[*:1]
COC(=O)c1cccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)n1 COC(=O)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)c1cccc(n1)[*:1]
Cc1cc(O)c(CC=O)c(O)c1 O=CC[*:1] Cc1cc(O)c(c(O)c1)[*:1]
Cc1ccc2c(CN3CCN(C(=O)c4ccc(C)c(F)c4)CC3)cc(=O)oc2c1 Cc1ccc(cc1F)[*:1] Cc1ccc2c(cc(=O)oc2c1)CN1CCN(CC1)C(=O)[*:1]
Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2cccnc21 Cc1ccccc1[*:1] O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2cccnc21)N[*:1]
Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2cccnc21 c1coc(c1)[*:1] Cc1ccccc1NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2cccnc21
Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2cccnc21 c1coc(c1)C[*:1] Cc1ccccc1NC(=O)Cn1c(=O)n(c(=O)c2cccnc21)[*:1]
CCN[C@@]1(C(=O)OC)CC[C@@H](Oc2ccc(F)c(F)c2)C1 COC(=O)[*:1] CCN[C@]1(CC[C@H](C1)Oc1ccc(F)c(F)c1)[*:1]
CCN[C@@]1(C(=O)OC)CC[C@@H](Oc2ccc(F)c(F)c2)C1 CCN[*:1] COC(=O)[C@]1(CC[C@H](C1)Oc1ccc(F)c(F)c1)[*:1]
COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(OC)c1 Fc1ccc(cc1)OC[*:1] COc1ccc(/C=C2\SC(=O)N(C[*:1])C2=O)c(c1)OC
COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(OC)c1 Fc1ccc(cc1)[*:1] COc1ccc(/C=C2\SC(=O)N(CCO[*:1])C2=O)c(c1)OC
COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(OC)c1 Fc1ccc(cc1)O[*:1] COc1ccc(/C=C2\SC(=O)N(CC[*:1])C2=O)c(c1)OC
COCCNC(=O)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 COCC[*:1] O=C(N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1)N[*:1]
COCCNC(=O)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 COCCNC(=O)N[*:1] O=C([C@@H](c1ccccc1)[*:1])N1CCc2ccccc21
COCCNC(=O)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] COCCNC(=O)N[C@@H](C(=O)N1CCc2ccccc21)[*:1]
COCCNC(=O)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 COC[*:1] O=C(NC[*:1])N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1
Cc1ccc2nc(CC#N)[nH]c2c1 N#CC[*:1] Cc1ccc2nc([nH]c2c1)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1 COc1ccc(cc1)[*:1] CSc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCC[C@H]1[*:1]
COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)cc1 CSc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] COc1ccc(/C=C(\NC(=O)c2ccccc2Br)[*:1])cc1
COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)N[*:1])cc1
COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)NC[*:1])cc1
COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)NCc2ccco2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccco1)C(=C[*:1])NC(=O)c1ccccc1Br
COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)NCc2ccco2)cc1 Brc1ccccc1[*:1] COc1ccc(/C=C(\NC(=O)[*:1])C(=O)NCc2ccco2)cc1
Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(C)c(-c3ccccn3)s2)cc1C Cc1ccc(cc1C)[*:1] Cc1nc(NC(=O)CCNS(=O)(=O)[*:1])sc1-c1ccccn1
Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(C)c(-c3ccccn3)s2)cc1C c1ccc(nc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)Nc1nc(C)c(s1)[*:1]
C[C@H](O)CCC(=O)N1CCC(NC(=O)C2CC2)CC1 C[C@H](O)[*:1] O=C(NC1CCN(CC1)C(=O)CC[*:1])C1CC1
C[C@H](O)CCC(=O)N1CCC(NC(=O)C2CC2)CC1 C1CC1[*:1] C[C@H](O)CCC(=O)N1CCC(CC1)NC(=O)[*:1]
C[C@H](O)CCC(=O)N1CCC(NC(=O)C2CC2)CC1 C[C@H](O)CC[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])C1CC1
C[C@H](O)CCC(=O)N1CCC(NC(=O)C2CC2)CC1 C[C@H](O)C[*:1] O=C(NC1CCN(CC1)C(=O)C[*:1])C1CC1
C[C@H](O)CCC(=O)N1CCC(NC(=O)C2CC2)CC1 O=C(N[*:1])C1CC1 C[C@H](O)CCC(=O)N1CCC(CC1)[*:1]
Cc1cscc1CNC(=O)c1sc2cccc(F)c2c1N Cc1cscc1[*:1] Nc1c(sc2cccc(F)c12)C(=O)NC[*:1]
Cc1cscc1CNC(=O)c1sc2cccc(F)c2c1N Cc1cscc1C[*:1] Nc1c(sc2cccc(F)c12)C(=O)N[*:1]
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(C(F)(F)F)nn3C)[C@@H]2SC1 FC(F)(F)[*:1] CC1CS[C@H]2[C@@H](NC(=O)c3cc(nn3C)[*:1])C(=O)N2C=1C(=O)[O-]
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(C(F)(F)F)nn3C)[C@@H]2SC1 O=C([O-])[*:1] CC1CS[C@H]2[C@@H](NC(=O)c3cc(nn3C)C(F)(F)F)C(=O)N2C=1[*:1]
Cc1n[nH]c(SCCC(=O)NCc2nc(C)sc2C)n1 Cc1n[nH]c(n1)[*:1] Cc1nc(CNC(=O)CCS[*:1])c(C)s1
Cc1ccsc1CNS(=O)(=O)c1c(Cl)cc(N)cc1Cl Cc1ccsc1[*:1] Nc1cc(Cl)c(c(Cl)c1)S(=O)(=O)NC[*:1]
Cc1nc(CCNC(=O)c2[nH]nc(C3CC3)c2Cl)cs1 Cc1nc(cs1)[*:1] O=C(NCC[*:1])c1[nH]nc(c1Cl)C1CC1
Cc1nc(CCNC(=O)c2[nH]nc(C3CC3)c2Cl)cs1 C1CC1[*:1] Cc1nc(cs1)CCNC(=O)c1[nH]nc(c1Cl)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1sc(Cl)nc1C Cc1nc(Cl)sc1[*:1] Cc1cn(nc1NC(=O)[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1sc(Cl)nc1C Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)c1sc(Cl)nc1C)[*:1]
C/C(=C/C[NH+]1C[C@@H](C)[C@H](C)C1)C(=O)[O-] O=C([O-])[*:1] CC(=CC[NH+]1C[C@@H](C)[C@H](C)C1)[*:1]
O=C(Nc1ccc(F)cc1)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(n1)[*:1] O=C(Nc1ccc(F)cc1)C(=O)N[C@@H](C[*:1])c1ccccc1
O=C(Nc1ccc(F)cc1)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(C[*:1])n1 O=C(Nc1ccc(F)cc1)C(=O)N[C@@H](c1ccccc1)[*:1]
O=C(Nc1ccc(F)cc1)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](Cn1cncn1)c1ccccc1)C(=O)N[*:1]
O=C(Nc1ccc(F)cc1)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)C(=O)N[C@@H](Cn1cncn1)[*:1]
CC(=O)Nc1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)c1csc(n1)-c1ccsc1
CC(=O)Nc1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1C c1cc(cs1)[*:1] CC(=O)Nc1cccc(NC(=O)c2csc(n2)[*:1])c1C
NC(=O)COc1ccc(/C=C/C(=O)Nc2ccnn2C2CCCC2)cc1 NC(=O)CO[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1ccnn1C1CCCC1
NC(=O)COc1ccc(/C=C/C(=O)Nc2ccnn2C2CCCC2)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)OC[*:1])Nc1ccnn1C1CCCC1
NC(=O)COc1ccc(/C=C/C(=O)Nc2ccnn2C2CCCC2)cc1 NC(=O)C[*:1] O=C(/C=C/c1ccc(cc1)O[*:1])Nc1ccnn1C1CCCC1
NC(=O)COc1ccc(/C=C/C(=O)Nc2ccnn2C2CCCC2)cc1 C1CCC(C1)[*:1] NC(=O)COc1ccc(/C=C/C(=O)Nc2ccnn2[*:1])cc1
CC(=O)N1CC[C@H](C(=O)O[C@@H]2CCSC2)C1 C1C[C@H](CS1)[*:1] CC(=O)N1CC[C@@H](C1)C(=O)O[*:1]
C[C@H](NC[C@H]1CCCc2ccccc21)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](NC[C@H]1CCCc2ccccc21)c1ccc(cc1)[*:1]
C[NH+](C)CCNC(=O)c1cccc(CNc2cc[nH+]c3cc(Cl)ccc23)c1 C[NH+](C)CCNC(=O)[*:1] Clc1ccc2c(cc[nH+]c2c1)NCc1cccc(c1)[*:1]
COc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(Cl)cc4)o3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[C@@H]1CC(=O)N(C1)[*:1])c1ccc(Cl)cc1
COc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(Cl)cc4)o3)CC2=O)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])o1
C[C@@H](NC(=O)Cn1nnc(-c2ccsc2)n1)c1ccc(Cl)cc1 c1cc(cs1)[*:1] C[C@@H](NC(=O)Cn1nnc(n1)[*:1])c1ccc(Cl)cc1
C[C@@H](NC(=O)Cn1nnc(-c2ccsc2)n1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1nnc(n1)-c1ccsc1)[*:1]
CO[C@@H](C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C)C(C)(C)C CO[C@@H](C(C)(C)C)[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)[NH2+]C[*:1]
CO[C@@H](C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C)C(C)(C)C CC(C)(C)[*:1] CO[C@@H](C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C)[*:1]
CCCCNC(=O)C[C@@H]1NC(=O)c2ccccc2N=C1O CCCC[*:1] O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)N[*:1]
CCCCNC(=O)C[C@@H]1NC(=O)c2ccccc2N=C1O CCCCNC(=O)[*:1] O=C1N[C@@H](C[*:1])C(O)=Nc2ccccc21
CCCCNC(=O)C[C@@H]1NC(=O)c2ccccc2N=C1O CCC[*:1] O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NC[*:1]
C[C@@H]1C(=O)NC(=O)CN1C(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])[*:1] C[C@@H]1C(=O)NC(=O)CN1C(=O)NC1(CCC1)C[*:1]
C[C@@H]1C(=O)NC(=O)CN1C(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])C[*:1] C[C@@H]1C(=O)NC(=O)CN1C(=O)NC1(CCC1)[*:1]
CC(C)(C)NC(=O)N1CCN(CCn2cc[nH+]c2)CC1 CC(C)(C)[*:1] O=C(N[*:1])N1CCN(CC1)CCn1cc[nH+]c1
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc(Cl)cc1Cl Clc1ccc(C[*:1])c(Cl)c1 COc1cc(/C=N/NC(=O)c2ccncc2)ccc1O[*:1]
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC[*:1]
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc(Cl)cc1Cl c1cc(ccn1)[*:1] COc1cc(/C=N/NC(=O)[*:1])ccc1OCc1ccc(Cl)cc1Cl
O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCO2 O=C1CCC(=O)N1[*:1] O=C(CCCCC[*:1])Nc1ccc2OCOc2c1
O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCO2 O=C1CCC(=O)N1C[*:1] O=C(CCCC[*:1])Nc1ccc2OCOc2c1
Cc1ccc(F)c(CC(=O)[O-])c1 O=C([O-])C[*:1] Cc1ccc(F)c(c1)[*:1]
Cc1ccc(F)c(CC(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(F)c(c1)C[*:1]
CCc1ccc(NC(=O)N2CC[C@@H](c3nc4cccnc4n3CC)C2)cc1 CCc1ccc(cc1)[*:1] CCn1c(nc2cccnc21)[C@@H]1CCN(C1)C(=O)N[*:1]
CCc1cc(C[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)n[nH]1 c1cncc(c1)O[*:1] CCc1cc(C[NH2+]Cc2ccc(c(C)c2)[*:1])n[nH]1
CCc1cc(C[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)n[nH]1 c1cncc(c1)[*:1] CCc1cc(C[NH2+]Cc2ccc(O[*:1])c(C)c2)n[nH]1
CCc1cc(C[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)n[nH]1 CCc1cc(n[nH]1)[*:1] Cc1cc(ccc1Oc1cccnc1)C[NH2+]C[*:1]
CCCNC(=O)/C(C#N)=C\c1c(C)nn(C)c1Oc1cccnc1 c1cncc(c1)O[*:1] CCCNC(=O)/C(C#N)=C\c1c(C)nn(C)c1[*:1]
CCCNC(=O)/C(C#N)=C\c1c(C)nn(C)c1Oc1cccnc1 CCC[*:1] Cc1nn(C)c(Oc2cccnc2)c1/C=C(/C#N)C(=O)N[*:1]
CCCNC(=O)/C(C#N)=C\c1c(C)nn(C)c1Oc1cccnc1 c1cncc(c1)[*:1] CCCNC(=O)/C(C#N)=C\c1c(C)nn(C)c1O[*:1]
CCCNC(=O)/C(C#N)=C\c1c(C)nn(C)c1Oc1cccnc1 CCCNC(=O)[*:1] Cc1nn(C)c(Oc2cccnc2)c1C=C(C#N)[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(c3nc(C4CC4)no3)C2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nc(no1)C1CC1
Cc1cccc(NC(=O)[C@@H]2CCCN(c3nc(C4CC4)no3)C2)n1 C1CC1c1noc(n1)[*:1] Cc1cccc(n1)NC(=O)[C@@H]1CCCN(C1)[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(c3nc(C4CC4)no3)C2)n1 C1CC1[*:1] Cc1cccc(n1)NC(=O)[C@@H]1CCCN(C1)c1nc(no1)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(cc1)O[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)O[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 CCC[*:1] N#Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)[C@H]1CCCN1C(=O)[*:1]
Cc1ccc(C(=O)CCCC(=O)[O-])s1 O=C([O-])C[*:1] Cc1ccc(s1)C(=O)CC[*:1]
Cc1ccc(C(=O)CCCC(=O)[O-])s1 O=C([O-])[*:1] Cc1ccc(s1)C(=O)CCC[*:1]
CC(C)NC(=O)Cn1c(CCNC(=O)C2CC2)nc2ccccc21 CC(C)NC(=O)[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])C1CC1
CC(C)NC(=O)Cn1c(CCNC(=O)C2CC2)nc2ccccc21 CC(C)[*:1] O=C(Cn1c(CCNC(=O)C2CC2)nc2ccccc21)N[*:1]
CC(C)NC(=O)Cn1c(CCNC(=O)C2CC2)nc2ccccc21 C1CC1[*:1] CC(C)NC(=O)Cn1c(CCNC(=O)[*:1])nc2ccccc21
CC(C)NC(=O)Cn1c(CCNC(=O)C2CC2)nc2ccccc21 O=C(N[*:1])C1CC1 CC(C)NC(=O)Cn1c(CC[*:1])nc2ccccc21
CC(C)NC(=O)Cn1c(CCNC(=O)C2CC2)nc2ccccc21 CC(C)NC(=O)C[*:1] O=C(NCCc1nc2ccccc2n1[*:1])C1CC1
CC(C)NC(=O)Cn1c(CCNC(=O)C2CC2)nc2ccccc21 O=C(NCC[*:1])C1CC1 CC(C)NC(=O)Cn1c(nc2ccccc21)[*:1]
CC(C)NC(=O)Cn1c(CCNC(=O)C2CC2)nc2ccccc21 O=C(NC[*:1])C1CC1 CC(C)NC(=O)Cn1c(C[*:1])nc2ccccc21
Cc1ncsc1[C@@H](C)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] Cc1ncsc1[C@@H](C)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
Cc1ncsc1[C@@H](C)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 Cc1ncsc1[*:1] C[C@@H](N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
Cc1ncsc1[C@@H](C)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] Cc1ncsc1[C@@H](C)N[C@@H](c1cccc(c1)[*:1])C1CC1
Cc1ccc(CN(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CN(C[*:1])S(=O)(=O)c1ccccc1)Nc1cccc(F)c1
Cc1ccc(CN(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)[*:1]
Cc1ccc(CN(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1 Cc1ccc(cc1)C[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])Nc1cccc(F)c1
Cc1ccc(CN(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)CN(CC(=O)N[*:1])S(=O)(=O)c1ccccc1
C[C@@H]1CN(Cc2cn(C)nc2-c2cccnc2)CCN1CC(F)(F)F FC(F)(F)C[*:1] C[C@@H]1CN(CCN1[*:1])Cc1cn(C)nc1-c1cccnc1
C[C@@H]1CN(Cc2cn(C)nc2-c2cccnc2)CCN1CC(F)(F)F c1cncc(c1)[*:1] C[C@@H]1CN(CCN1CC(F)(F)F)Cc1cn(C)nc1[*:1]
C[C@@H]1CN(Cc2cn(C)nc2-c2cccnc2)CCN1CC(F)(F)F FC(F)(F)[*:1] C[C@@H]1CN(CCN1C[*:1])Cc1cn(C)nc1-c1cccnc1
CC(C)C[C@H](CNC(=O)c1ccc(F)nc1)NC(=O)c1ccc(F)nc1 Fc1ccc(cn1)[*:1] CC(C)C[C@H](CNC(=O)c1ccc(F)nc1)NC(=O)[*:1]
CC(C)C[C@H](CNC(=O)c1ccc(F)nc1)NC(=O)c1ccc(F)nc1 Fc1ccc(cn1)[*:1] CC(C)C[C@H](CNC(=O)[*:1])NC(=O)c1ccc(F)nc1
CC(C)C[C@H](CNC(=O)c1ccc(F)nc1)NC(=O)c1ccc(F)nc1 CC(C)C[*:1] O=C(NC[C@H](NC(=O)c1ccc(F)nc1)[*:1])c1ccc(F)nc1
CC(C)C[C@H](CNC(=O)c1ccc(F)nc1)NC(=O)c1ccc(F)nc1 CC(C)[*:1] O=C(NC[C@@H](C[*:1])NC(=O)c1ccc(F)nc1)c1ccc(F)nc1
Cc1csc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)n1 Cc1csc(n1)NC(=O)C[*:1] O=S(=O)(c1ccc(cc1)-c1nnc(o1)S[*:1])N1CCCC1
Cc1csc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)n1 Cc1csc(n1)NC(=O)[*:1] O=S(=O)(c1ccc(cc1)-c1nnc(o1)SC[*:1])N1CCCC1
Cc1csc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)n1 Cc1csc(n1)[*:1] O=C(CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCCC1)N[*:1]
Cc1csc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)n1 O=S(=O)(N1CCCC1)[*:1] Cc1csc(n1)NC(=O)CSc1nnc(o1)-c1ccc(cc1)[*:1]
COc1cc(C(=O)Nc2ccc(Br)cc2C)cc(Cl)c1OCC(N)=O NC(=O)[*:1] COc1cc(cc(Cl)c1OC[*:1])C(=O)Nc1ccc(Br)cc1C
COc1cc(C(=O)Nc2ccc(Br)cc2C)cc(Cl)c1OCC(N)=O NC(=O)CO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)Nc1ccc(Br)cc1C
COc1cc(C(=O)Nc2ccc(Br)cc2C)cc(Cl)c1OCC(N)=O NC(=O)C[*:1] COc1cc(cc(Cl)c1O[*:1])C(=O)Nc1ccc(Br)cc1C
COc1cc(C(=O)Nc2ccc(Br)cc2C)cc(Cl)c1OCC(N)=O Cc1cc(Br)ccc1[*:1] COc1cc(cc(Cl)c1OCC(N)=O)C(=O)N[*:1]
Cc1c([C@H](C)[NH2+]Cc2cccc3ccccc23)cnn1C Cc1c(cnn1C)[*:1] C[C@H]([NH2+]Cc1cccc2ccccc12)[*:1]
CC(C)[C@@H](CO)Nc1nccn2cnnc12 CC(C)[*:1] OC[C@@H](Nc1nccn2cnnc12)[*:1]
Cc1n[nH]c2ncc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc34)cc12 O=[N+]([O-])[*:1] Cc1n[nH]c2ncc(cc12)C(=O)Nc1n[nH]c2ccc(cc12)[*:1]
O=C(NCC1CCN(c2ncnc3ccccc23)CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCC1CCN(CC1)c1ncnc2ccccc12)[*:1]
O=C(CNc1nc(C2CC2)no1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNc1nc(no1)C1CC1)NC[*:1]
O=C(CNc1nc(C2CC2)no1)NCc1ccccc1 C1CC1[*:1] O=C(CNc1nc(no1)[*:1])NCc1ccccc1
OC[C@@H](Cc1ccc(Br)cc1)C[C@H]1CSc2ccccc21 Brc1ccc(cc1)[*:1] OC[C@H](C[C@H]1CSc2ccccc21)C[*:1]
CC(=O)[C@H]1CCOC2(CCC2)C1 CC(=O)[*:1] C1CC2(C1)C[C@H](CCO2)[*:1]
NS(=O)(=O)c1ccc(C(=O)N2CCCCCCC2)cc1 NS(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCCCCCC1
CCOc1ccccc1OCCOc1ccc(Cl)cc1 CCO[*:1] Clc1ccc(cc1)OCCOc1ccccc1[*:1]
CN1C(=O)C[C@H](Nc2ccc(OC(F)F)cn2)[C@H]1c1ccc(F)cc1 FC(F)O[*:1] CN1C(=O)C[C@H](Nc2ccc(cn2)[*:1])[C@H]1c1ccc(F)cc1
CN1C(=O)C[C@H](Nc2ccc(OC(F)F)cn2)[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1C(=O)C[C@H](Nc2ccc(cn2)OC(F)F)[C@@H]1[*:1]
CN1C(=O)C[C@H](Nc2ccc(OC(F)F)cn2)[C@H]1c1ccc(F)cc1 FC(F)[*:1] CN1C(=O)C[C@H](Nc2ccc(cn2)O[*:1])[C@H]1c1ccc(F)cc1
CC(C)Cn1cnnc1[C@@H]1CCCN1Cc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CC(C)Cn1cnnc1[C@@H]1CCCN1Cc1ccc(cc1)[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1Cc1ccc(-n2cncn2)cc1 CC(C)[*:1] c1ncn(n1)-c1ccc(cc1)CN1CCC[C@H]1c1nncn1C[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1Cc1ccc(-n2cncn2)cc1 CC(C)C[*:1] c1ncn(n1)-c1ccc(cc1)CN1CCC[C@H]1c1nncn1[*:1]
COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)[C@@H](C(=O)N[*:1])N(C(=O)c1ccoc1C)c1ccccc1
COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1 O=C(NC1CCCC1)[*:1] COc1ccc(cc1)[C@@H](N(C(=O)c1ccoc1C)c1ccccc1)[*:1]
COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1 COc1ccc(cc1)[*:1] Cc1occc1C(=O)N(c1ccccc1)[C@H](C(=O)NC1CCCC1)[*:1]
COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](C(=O)NC1CCCC1)N(C(=O)c1ccoc1C)[*:1]
COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1 Cc1occc1[*:1] COc1ccc(cc1)[C@@H](C(=O)NC1CCCC1)N(C(=O)[*:1])c1ccccc1
C=CCOC(F)(F)C(F)(F)S(=O)(=O)OCC C=CCO[*:1] CCOS(=O)(=O)C(F)(F)C(F)(F)[*:1]
C=CCOC(F)(F)C(F)(F)S(=O)(=O)OCC C=CC[*:1] CCOS(=O)(=O)C(F)(F)C(F)(F)O[*:1]
CC[C@]1(C2CC2)CC(=O)NC(=O)[C@H]1Cc1ccccc1 C1CC1[*:1] CC[C@@]1(CC(=O)NC(=O)[C@H]1Cc1ccccc1)[*:1]
CC[C@]1(C2CC2)CC(=O)NC(=O)[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@@]1(CC(=O)NC(=O)[C@H]1C[*:1])C1CC1
C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 c1cc2OCOc2cc1[*:1] C[C@H]1CCCN(C1)c1ccc(cc1[N+](=O)[O-])C(=O)OCC(=O)N[*:1]
C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1CCCN(C1)c1ccc(cc1[*:1])C(=O)OCC(=O)Nc1ccc2OCOc2c1
CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 O=C(NCC(F)(F)F)[*:1] CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](C1)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 CCCS(=O)(=O)[*:1] C[C@H](C(=O)N1CCC[C@H](C1)C(=O)NCC(F)(F)F)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 CCC[*:1] C[C@H](C(=O)N1CCC[C@H](C1)C(=O)NCC(F)(F)F)S(=O)(=O)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 FC(F)(F)[*:1] CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 FC(F)(F)C[*:1] CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 CCCS(=O)(=O)[C@H](C)[*:1] O=C(NCC(F)(F)F)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCc1noc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)n1 CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)C[C@H]1CCCN1Cc1nc(no1)[*:1]
COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(NC(=O)C3CC3)s2)c1 C1CC1[*:1] COc1ccc(OC)c(c1)[C@H](C)NC(=O)c1ccc(NC(=O)[*:1])s1
COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(NC(=O)C3CC3)s2)c1 O=C(N[*:1])C1CC1 COc1ccc(OC)c(c1)[C@H](C)NC(=O)c1ccc(s1)[*:1]
Cc1ccsc1-c1nccn1[C@@H](C)c1nc(-c2ccccn2)no1 Cc1ccsc1[*:1] C[C@@H](c1nc(no1)-c1ccccn1)n1ccnc1[*:1]
Cc1ccsc1-c1nccn1[C@@H](C)c1nc(-c2ccccn2)no1 c1ccc(nc1)[*:1] Cc1ccsc1-c1nccn1[C@@H](C)c1nc(no1)[*:1]
C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(N2CCOC2=O)cc1 C[S@](=O)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc(cc1)N1CCOC1=O
C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)[S@](C)=O)c1ccc(cc1)[*:1]
CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2ccc(C)nc12 Fc1ccc(cc1)[*:1] CC[C@H](O[*:1])C(=O)Nc1cccc2ccc(C)nc12
CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2ccc(C)nc12 Fc1ccc(cc1)O[*:1] CC[C@H](C(=O)Nc1cccc2ccc(C)nc12)[*:1]
Nc1c(C(=O)N2CCC[C@@H]2CO)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1c(cccc1[*:1])C(=O)N1CCC[C@@H]1CO
O=C1CCC[C@@H]1CCN1C(=O)Cc2ccc(Cl)cc21 O=C1CCC[C@H]1[*:1] O=C1Cc2ccc(Cl)cc2N1CC[*:1]
COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3nc4ccc(Cl)cc4s3)n2)cc1 Clc1ccc2nc(sc2c1)[*:1] COc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)N[*:1]
COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3nc4ccc(Cl)cc4s3)n2)cc1 COc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1nc2ccc(Cl)cc2s1)n1nc(ccc1=O)[*:1]
CCC[C@@H]1NC(=O)[C@H](CC)N(c2cc(C)cc(F)c2)C1=O CCC[*:1] CC[C@H]1C(=O)N[C@H](C(=O)N1c1cc(C)cc(F)c1)[*:1]
C[C@H](CC#N)N(C)C(=O)CCCOc1ccccc1F N#CC[*:1] C[C@H](N(C)C(=O)CCCOc1ccccc1F)[*:1]
COC(=O)[C@H](CNC(=O)c1ccc(Cl)cc1)Oc1ccc(F)cc1 Clc1ccc(cc1)[*:1] COC(=O)[C@H](CNC(=O)[*:1])Oc1ccc(F)cc1
COC(=O)[C@H](CNC(=O)c1ccc(Cl)cc1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@H](CNC(=O)c1ccc(Cl)cc1)O[*:1]
COC(=O)[C@H](CNC(=O)c1ccc(Cl)cc1)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] COC(=O)[C@H](CNC(=O)c1ccc(Cl)cc1)[*:1]
COC(=O)[C@H](CNC(=O)c1ccc(Cl)cc1)Oc1ccc(F)cc1 COC(=O)[*:1] O=C(NC[C@H](Oc1ccc(F)cc1)[*:1])c1ccc(Cl)cc1
Cc1ccc2ncc(-c3nc(-c4ccncc4)no3)n2c1 c1cc(ccn1)[*:1] Cc1ccc2ncc(-c3nc(no3)[*:1])n2c1
COCC(=O)NCc1ccccc1 COC[*:1] O=C(NCc1ccccc1)[*:1]
Cc1csc(C[C@@H]([NH3+])[C@@H]2C[C@@H]2C)n1 C[C@H]1C[C@H]1[*:1] Cc1csc(C[C@@H]([NH3+])[*:1])n1
Oc1ccc(C2=CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cc1 c1ccc(cc1)[*:1] Oc1ccc(cc1)C1=CC[NH+](CC1)Cc1cnn(c1)[*:1]
Oc1ccc(C2=CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cc1 Oc1ccc(cc1)[*:1] C1C[NH+](CCC=1[*:1])Cc1cnn(c1)-c1ccccc1
Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1ccc(F)c(C)c1)C2 Cc1cc(ccc1F)[*:1] Cc1nc2CN(CCc2c(n1)N1CCCC1)C(=O)[*:1]
Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1ccc(F)c(C)c1)C2 C1CCN(C1)[*:1] Cc1nc2CN(CCc2c(n1)[*:1])C(=O)c1ccc(F)c(C)c1
CN(CCNC(=O)c1cn(CC(N)=O)nn1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCNC(=O)c1cn(CC(N)=O)nn1)[*:1]
CN(CCNC(=O)c1cn(CC(N)=O)nn1)c1ccccc1 NC(=O)[*:1] CN(CCNC(=O)c1cn(C[*:1])nn1)c1ccccc1
CN(CCNC(=O)c1cn(CC(N)=O)nn1)c1ccccc1 NC(=O)C[*:1] CN(CCNC(=O)c1cn(nn1)[*:1])c1ccccc1
CN(CC[NH+]1CCCCCC1)C(=O)CSc1nnc(N)s1 Nc1nnc(S[*:1])s1 CN(CC[NH+]1CCCCCC1)C(=O)C[*:1]
CN(CC[NH+]1CCCCCC1)C(=O)CSc1nnc(N)s1 Nc1nnc(s1)[*:1] CN(CC[NH+]1CCCCCC1)C(=O)CS[*:1]
O=C(NN=C1CCN(Cc2ccccc2)CC1)c1sc2ccccc2c1Cl c1ccc(cc1)C[*:1] O=C(NN=C1CCN(CC1)[*:1])c1sc2ccccc2c1Cl
O=C(NN=C1CCN(Cc2ccccc2)CC1)c1sc2ccccc2c1Cl c1ccc(cc1)[*:1] O=C(NN=C1CCN(CC1)C[*:1])c1sc2ccccc2c1Cl
Cc1cc(Br)ccc1NC(=O)CNC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)CNC(=O)c1nc(C)n(n1)[*:1]
Cc1cc(Br)ccc1NC(=O)CNC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1 Cc1cc(Br)ccc1[*:1] Cc1nc(nn1-c1ccc(Cl)cc1)C(=O)NCC(=O)N[*:1]
COC[C@](C)(O)CNC(=O)C1CCCCC1 COC[*:1] C[C@](O)(CNC(=O)C1CCCCC1)[*:1]
COC(=O)c1ccc2c(c1)CCN2C(=O)c1cnsn1 COC(=O)[*:1] O=C(c1cnsn1)N1CCc2cc(ccc21)[*:1]
COC(=O)c1ccc2c(c1)CCN2C(=O)c1cnsn1 c1nsnc1[*:1] COC(=O)c1ccc2c(c1)CCN2C(=O)[*:1]
CS(=O)(=O)N1CCC[NH+](CCCOc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC[NH+](CCCO[*:1])CC1
C[C@@H](Oc1cccc(C=O)c1)C(=O)Nc1ccc2ccn(C)c2c1 O=Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc2ccn(C)c2c1
COc1cc2c(cc1OC)CN(Cn1ncc3ccc([N+](=O)[O-])cc31)CC2 O=[N+]([O-])[*:1] COc1cc2CCN(Cc2cc1OC)Cn1ncc2ccc(cc21)[*:1]
COc1ccc(CN(C(=O)c2cnc(C)cn2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)c1cnc(C)cn1)[*:1]
COc1ccc(CN(C(=O)c2cnc(C)cn2)C2CC2)cc1 Cc1cnc(cn1)[*:1] COc1ccc(cc1)CN(C(=O)[*:1])C1CC1
Cc1ccc(-c2csc(NC(=O)CCCOc3ccccc3C)n2)cc1 Cc1ccccc1O[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)CCC[*:1]
Cc1ccc(-c2csc(NC(=O)CCCOc3ccccc3C)n2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)CCCO[*:1]
Cc1ccc(-c2csc(NC(=O)CCCOc3ccccc3C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1OCCCC(=O)Nc1nc(cs1)[*:1]
COc1cc(F)cc(CNC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1 COc1cc(F)cc(c1)[*:1] O=C(NC[*:1])N[C@@H](CO)Cc1c[nH]c2ccccc12
COc1cc(F)cc(CNC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1 c1ccc2c(c[nH]c2c1)[*:1] COc1cc(F)cc(c1)CNC(=O)N[C@@H](CO)C[*:1]
CCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 C1CN(CCO1)[*:1] CCN(C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1])c1ccccc1
CCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 O=[N+]([O-])[*:1] CCN(C(=O)c1ccc(c(c1)[*:1])N1CCOCC1)c1ccccc1
CCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)[*:1]
COc1ccc(C(=O)NC(=S)NCCCO)cc1 OCCC[*:1] COc1ccc(cc1)C(=O)NC(=S)N[*:1]
COc1ccc(C(=O)NC(=S)NCCCO)cc1 OCC[*:1] COc1ccc(cc1)C(=O)NC(=S)NC[*:1]
O=C(CNc1ccc([N+](=O)[O-])c2cccnc12)NCC(F)(F)F FC(F)(F)[*:1] O=C(CNc1ccc(c2cccnc12)[N+](=O)[O-])NC[*:1]
O=C(CNc1ccc([N+](=O)[O-])c2cccnc12)NCC(F)(F)F O=[N+]([O-])[*:1] O=C(CNc1ccc(c2cccnc12)[*:1])NCC(F)(F)F
O=C(CNc1ccc([N+](=O)[O-])c2cccnc12)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CNc1ccc(c2cccnc12)[N+](=O)[O-])N[*:1]
CN(Cc1ccccc1)[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 c1ccc(cc1)C[*:1] CN([C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1)[*:1]
CN(Cc1ccccc1)[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] CN(Cc1ccccc1)[C@H](NC(=O)c1ccccc1)[*:1]
CN(Cc1ccccc1)[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccccc1)[C@H](NC(=O)[*:1])C(=O)c1ccccc1
CN(Cc1ccccc1)[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 CN(Cc1ccccc1)[*:1] O=C(N[C@H](C(=O)c1ccccc1)[*:1])c1ccccc1
CN(Cc1ccccc1)[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 CN(Cc1ccccc1)[C@H](C(=O)c1ccccc1)[*:1]
CN(Cc1ccccc1)[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C[*:1])[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1
CN(Cc1ccccc1)[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccccc1)[C@H](NC(=O)c1ccccc1)C(=O)[*:1]
O=C(CSC1=NC(=O)[C@@H]2SC(=S)N(c3ccc(Cl)cc3)C2=N1)Nc1cc(F)ccc1F Clc1ccc(cc1)[*:1] O=C(CSC1=NC(=O)[C@@H]2SC(=S)N(C2=N1)[*:1])Nc1cc(F)ccc1F
O=C(CSC1=NC(=O)[C@@H]2SC(=S)N(c3ccc(Cl)cc3)C2=N1)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(CSC1=NC(=O)[C@@H]2SC(=S)N(C2=N1)c1ccc(Cl)cc1)N[*:1]
CN(C(=O)[C@@](C)(N)C(F)(F)F)C1CCOCC1 FC(F)(F)[*:1] CN(C(=O)[C@@](C)(N)[*:1])C1CCOCC1
C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)nc1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)nc1)[*:1]
C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)nc1)c1ccccc1Cl Clc1ccc(cn1)[*:1] C[C@@H](NC(=O)CN(C)C[*:1])c1ccccc1Cl
c1ccc2sc(N3CC[NH+](Cc4nnnn4C[C@@H]4CCCO4)CC3)nc2c1 c1ccc2sc(nc2c1)[*:1] C1CO[C@@H](C1)Cn1nnnc1C[NH+]1CCN(CC1)[*:1]
c1ccc2sc(N3CC[NH+](Cc4nnnn4C[C@@H]4CCCO4)CC3)nc2c1 C1CO[C@@H](C1)C[*:1] c1ccc2sc(nc2c1)N1CC[NH+](CC1)Cc1nnnn1[*:1]
c1ccc2sc(N3CC[NH+](Cc4nnnn4C[C@@H]4CCCO4)CC3)nc2c1 C1CO[C@@H](C1)[*:1] c1ccc2sc(nc2c1)N1CC[NH+](CC1)Cc1nnnn1C[*:1]
CC(C)CC[NH2+]Cc1cc(F)ccc1F CC(C)C[*:1] Fc1ccc(F)c(c1)C[NH2+]C[*:1]
CC(C)CC[NH2+]Cc1cc(F)ccc1F CC(C)CC[*:1] Fc1ccc(F)c(c1)C[NH2+][*:1]
CC(C)CC[NH2+]Cc1cc(F)ccc1F CC(C)[*:1] Fc1ccc(F)c(c1)C[NH2+]CC[*:1]
Cc1cccc(C[NH+](C)Cc2ccc(C(=O)NN)cn2)c1 Cc1cccc(c1)[*:1] C[NH+](Cc1ccc(cn1)C(=O)NN)C[*:1]
Cc1cccc(C[NH+](C)Cc2ccc(C(=O)NN)cn2)c1 NNC(=O)[*:1] Cc1cccc(c1)C[NH+](C)Cc1ccc(cn1)[*:1]
COc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)ccc1OC(F)F c1cncc(c1)[*:1] COc1cc(ccc1OC(F)F)C(=O)N1CCN(CC1)C[*:1]
COc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)N1CCN(CC1)Cc1cccnc1
COc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)ccc1OC(F)F c1cncc(c1)C[*:1] COc1cc(ccc1OC(F)F)C(=O)N1CCN(CC1)[*:1]
COc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)N1CCN(CC1)Cc1cccnc1
O=C(C[C@H]1OC(=O)c2ccccc21)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)NC[C@@H]1CCCN(C1)[*:1]
CC/C(=C\c1ccc(F)cc1)C[NH2+]C(C)(C)C CC(C)(C)[*:1] CC/C(=C\c1ccc(F)cc1)C[NH2+][*:1]
Cc1ccc(-c2cc(C(=O)NC(C)C)on2)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)-c1cc(on1)[*:1]
Cc1ccc(-c2cc(C(=O)NC(C)C)on2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1cc(on1)C(=O)N[*:1]
O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1c[nH]c2nccc(Cl)c12 c1cc(n[nH]1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1c[nH]c2nccc(Cl)c12
C=C1CC(C(=O)N/N=C/c2ccccc2)C1 C=C1CC(C1)[*:1] O=C(N/N=C/c1ccccc1)[*:1]
CC(C)(C)OC(=O)[C@H]1CC[C@]1([NH3+])C(=O)[O-] CC(C)(C)[*:1] [NH3+][C@@]1(CC[C@@H]1C(=O)O[*:1])C(=O)[O-]
CC(C)(C)OC(=O)[C@H]1CC[C@]1([NH3+])C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)[C@H]1CC[C@@]1([NH3+])[*:1]
CC[C@@H](C)C(=O)Nc1c(C)cccc1C CC[C@@H](C)[*:1] Cc1cccc(C)c1NC(=O)[*:1]
O=C(Cc1ccccc1)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O c1ccc(cc1)[*:1] O=C(C[*:1])N1CCC[C@@H]1[C@H]1CCC[C@@H]1O
O=C(Cc1ccccc1)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O O[C@H]1CCC[C@@H]1[*:1] O=C(Cc1ccccc1)N1CCC[C@H]1[*:1]
CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2C)C1 CCNS(=O)(=O)[*:1] Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](C1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)c1[*:1]
CC(=O)N1CCC[C@H]1c1nccnc1NCc1cccnc1 c1cncc(c1)[*:1] CC(=O)N1CCC[C@H]1c1nccnc1NC[*:1]
CC(=O)N1CCC[C@H]1c1nccnc1NCc1cccnc1 c1cncc(c1)C[*:1] CC(=O)N1CCC[C@H]1c1nccnc1N[*:1]
O=C(Nc1ccc(CC(=O)N2CCOc3ccccc32)cc1)C1CC1 O=C(N[*:1])C1CC1 O=C(Cc1ccc(cc1)[*:1])N1CCOc2ccccc21
O=C(Nc1ccc(CC(=O)N2CCOc3ccccc32)cc1)C1CC1 C1CC1[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])N1CCOc2ccccc21
CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cc(C)oc1C)n2CCOC COC[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cc(C)oc1C)n2C[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cc(C)oc1C)n2CCOC COCC[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cc(C)oc1C)n2[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cc(C)oc1C)n2CCOC CCOC(=O)[*:1] COCCn1/c(=N\C(=O)c2cc(C)oc2C)sc2cc(ccc21)[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cc(C)oc1C)n2CCOC Cc1cc(c(C)o1)[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)[*:1])n2CCOC
C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(C[NH+]2CCCCC2)n1[*:1]
Cc1ccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1 c1csc(c1)[*:1] Cc1ccc2cc(CN(C[*:1])S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1
Cc1ccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1 Fc1ccccc1[*:1] Cc1ccc2cc(CN(Cc3cccs3)S(=O)(=O)[*:1])c(=O)[nH]c2c1
Cc1ccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1 c1csc(c1)C[*:1] Cc1ccc2cc(CN(S(=O)(=O)c3ccccc3F)[*:1])c(=O)[nH]c2c1
C[C@@H]1CCN(C(=O)COC/C=C/c2ccccc2)C[C@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)COCC=C[*:1]
COCCN(C)C(=O)NCc1nnc2ccccn12 COCC[*:1] CN(C(=O)NCc1nnc2ccccn12)[*:1]
COCCN(C)C(=O)NCc1nnc2ccccn12 COC[*:1] CN(C[*:1])C(=O)NCc1nnc2ccccn12
CC(=O)c1ccccc1OCCC1CCCCC1 C1CCC(CC1)[*:1] CC(=O)c1ccccc1OCC[*:1]
CC(=O)c1ccccc1OCCC1CCCCC1 CC(=O)[*:1] c1ccc(c(c1)OCCC1CCCCC1)[*:1]
Cc1ccc2c(c1)CCN2C(=O)c1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] Cc1ccc2c(c1)CCN2C(=O)c1cccc(c1)C[*:1]
Cc1ccc2c(c1)CCN2C(=O)c1cccc(CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] Cc1ccc2c(c1)CCN2C(=O)c1cccc(c1)[*:1]
Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 Cc1ccc(Cl)cc1[*:1] O=C(/C=C/c1ccc(cc1)S(=O)(=O)NCc1ccco1)N[*:1]
Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(cc1)S(=O)(=O)NC[*:1]
CCOC(=O)c1cccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 CCOC(=O)[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1cccc(c1)[*:1])C1CC1
CCOC(=O)c1cccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 c1coc(c1)[*:1] CCOC(=O)c1cccc(c1)NC(=O)N(C1CC1)[C@@H](C)[*:1]
CCOC(=O)c1cccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 C1CC1[*:1] CCOC(=O)c1cccc(c1)NC(=O)N([C@@H](C)c1ccco1)[*:1]
COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 COC(=O)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
COC[C@H](C)Nc1nc2ccc(Cl)cn2n1 COC[*:1] C[C@H](Nc1nc2ccc(Cl)cn2n1)[*:1]
COC[C@H](C)Nc1nc2ccc(Cl)cn2n1 COC[C@H](C)[*:1] Clc1ccc2nc(nn2c1)N[*:1]
Cc1ncoc1C(=O)N1CC(=O)Nc2ccccc21 Cc1ncoc1[*:1] O=C1CN(C(=O)[*:1])c2ccccc2N1
COc1cccc(C[C@H](NC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)C[C@H](NC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
COc1cccc(C[C@H](NC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)C2CC2)c1 COc1cccc(c1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N[C@@H](C[*:1])C1CC1
Cc1cccc(Oc2nc(C(F)(F)F)ccc2C(N)=S)c1 FC(F)(F)[*:1] Cc1cccc(c1)Oc1nc(ccc1C(N)=S)[*:1]
Cc1cccc(Oc2nc(C(F)(F)F)ccc2C(N)=S)c1 Cc1cccc(c1)[*:1] NC(=S)c1ccc(nc1O[*:1])C(F)(F)F
Cc1cccc(Oc2nc(C(F)(F)F)ccc2C(N)=S)c1 NC(=S)[*:1] Cc1cccc(c1)Oc1nc(ccc1[*:1])C(F)(F)F
O=C(CSc1nnc(-c2ccccn2)o1)Nc1nc(-c2ccc(F)cc2)cs1 c1ccc(nc1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1nc(cs1)-c1ccc(F)cc1
O=C(CSc1nnc(-c2ccccn2)o1)Nc1nc(-c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1ccccn1)Nc1nc(cs1)[*:1]
O=C(c1ccnc(N2CC[C@@]3(CCCNC3=O)C2)c1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C1NCCC[C@@]12CCN(C2)c1cc(ccn1)[*:1]
CCOC(=O)C(=O)Oc1c(CC)c(C)nn1-c1nc(C)cc(C)n1 Cc1cc(C)nc(n1)[*:1] CCOC(=O)C(=O)Oc1c(CC)c(C)nn1[*:1]
CCOC(=O)C(=O)Oc1c(CC)c(C)nn1-c1nc(C)cc(C)n1 CCOC(=O)C(=O)O[*:1] CCc1c(C)nn(-c2nc(C)cc(C)n2)c1[*:1]
CC[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)c1cccs1 NC(=O)[*:1] CC[C@@H]([NH2+]Cc1cc(cs1)[*:1])c1cccs1
CC[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)c1cccs1 c1csc(c1)[*:1] CC[C@@H]([NH2+]Cc1cc(cs1)C(N)=O)[*:1]
COc1cc2c(cc1OC)CN(C(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C)CC2 CC(C)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](NC(=O)c1c(F)cccc1F)[*:1]
COc1cc2c(cc1OC)CN(C(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C)CC2 Fc1cccc(F)c1[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](NC(=O)[*:1])C(C)C
C[C@H](CN(C)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CN(C)C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
C[C@H](CN(C)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 c1cnc(nc1)[*:1] C[C@H](CN(C)C(=O)NC[C@@H]1CCCN(C1)[*:1])c1ccccc1
C[C@H](CN(C)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 C[C@H](c1ccccc1)[*:1] CN(C[*:1])C(=O)NC[C@@H]1CCCN(C1)c1ncccn1
C[C@H](CN(C)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 C[C@H](C[*:1])c1ccccc1 CN(C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CC(C)CC1(C[NH2+]C[C@H]2COC[C@@H]2N)CCCC1 CC(C)[*:1] N[C@H]1COC[C@@H]1C[NH2+]CC1(CCCC1)C[*:1]
CC(C)CC1(C[NH2+]C[C@H]2COC[C@@H]2N)CCCC1 CC(C)C[*:1] N[C@H]1COC[C@@H]1C[NH2+]CC1(CCCC1)[*:1]
CC(=O)NCc1ccc(C(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)s1 CC(=O)N[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1ccc(C[*:1])s1
CC(=O)NCc1ccc(C(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)s1 CC(=O)NC[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1ccc(s1)[*:1]
COc1ccccc1CN(C(=O)N[C@H]1CCN(c2ccccc2)C1=O)C1CC1 COc1ccccc1C[*:1] O=C1[C@H](CCN1c1ccccc1)NC(=O)N(C1CC1)[*:1]
COc1ccccc1CN(C(=O)N[C@H]1CCN(c2ccccc2)C1=O)C1CC1 c1ccc(cc1)[*:1] COc1ccccc1CN(C(=O)N[C@H]1CCN(C1=O)[*:1])C1CC1
COc1ccccc1CN(C(=O)N[C@H]1CCN(c2ccccc2)C1=O)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)N[C@H]1CCN(C1=O)c1ccccc1)[*:1]
COc1ccccc1CN(C(=O)N[C@H]1CCN(c2ccccc2)C1=O)C1CC1 COc1ccccc1[*:1] O=C1[C@H](CCN1c1ccccc1)NC(=O)N(C[*:1])C1CC1
CC(C)c1noc(CCNC(=O)N(C)Cc2cc3ccccc3o2)n1 CC(C)c1noc(n1)[*:1] CN(Cc1cc2ccccc2o1)C(=O)NCC[*:1]
CC(C)c1noc(CCNC(=O)N(C)Cc2cc3ccccc3o2)n1 CC(C)[*:1] CN(Cc1cc2ccccc2o1)C(=O)NCCc1nc(no1)[*:1]
COC[C@@H](C)N1CCN(S(=O)(=O)c2cc(C)c(C)s2)CC1 COC[*:1] Cc1cc(sc1C)S(=O)(=O)N1CCN(CC1)[C@H](C)[*:1]
COC[C@@H](C)N1CCN(S(=O)(=O)c2cc(C)c(C)s2)CC1 Cc1cc(sc1C)[*:1] COC[C@@H](C)N1CCN(CC1)S(=O)(=O)[*:1]
COC[C@@H](C)N1CCN(S(=O)(=O)c2cc(C)c(C)s2)CC1 COC[C@@H](C)[*:1] Cc1cc(sc1C)S(=O)(=O)N1CCN(CC1)[*:1]
CCOC(=O)c1ccoc1CN1C(=O)NC2(CCCC2)C1=O CCOC(=O)[*:1] O=C1NC2(CCCC2)C(=O)N1Cc1occc1[*:1]
CCCn1c(SCc2ccccc2)nnc1-c1ccncc1 CCC[*:1] c1ccc(cc1)CSc1nnc(-c2ccncc2)n1[*:1]
CCCn1c(SCc2ccccc2)nnc1-c1ccncc1 c1ccc(cc1)C[*:1] CCCn1c(nnc1-c1ccncc1)S[*:1]
CCCn1c(SCc2ccccc2)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCCn1c(nnc1[*:1])SCc1ccccc1
CCCn1c(SCc2ccccc2)nnc1-c1ccncc1 c1ccc(cc1)[*:1] CCCn1c(nnc1-c1ccncc1)SC[*:1]
O=C(COc1ccc(F)cc1)Nc1ncccc1OC(F)F FC(F)O[*:1] O=C(COc1ccc(F)cc1)Nc1ncccc1[*:1]
O=C(COc1ccc(F)cc1)Nc1ncccc1OC(F)F Fc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ncccc1OC(F)F
O=C(COc1ccc(F)cc1)Nc1ncccc1OC(F)F FC(F)[*:1] O=C(COc1ccc(F)cc1)Nc1ncccc1O[*:1]
Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3cscn3)cc2)CCO1 Cc1ccccc1[*:1] O=C(c1ccc(cc1)-c1cscn1)N1CCO[C@H](C1)[*:1]
Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3cscn3)cc2)CCO1 c1nc(cs1)[*:1] Cc1ccccc1[C@H]1CN(CCO1)C(=O)c1ccc(cc1)[*:1]
CC[C@H](C(N)=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 CC[C@H](C(N)=O)[*:1] CC1(C)C[NH+]=C(S1)N1CCN(CC1)[*:1]
CC[C@H](C(N)=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 NC(=O)[*:1] CC[C@H](N1CCN(CC1)C1=[NH+]CC(C)(C)S1)[*:1]
CCOC(=O)c1cc(C#N)c2ccccn2c1=O CCOC(=O)[*:1] N#Cc1cc(c(=O)n2ccccc12)[*:1]
Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)Nc2ccccc2)n1 O=C(Nc1ccccc1)[*:1] Cc1cc(C)n(n1)-c1nc(cc(=O)n1C[*:1])-c1ccccc1
Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)Nc2ccccc2)n1 Cc1cc(C)n(n1)[*:1] O=C(Cn1c(nc(cc1=O)-c1ccccc1)[*:1])Nc1ccccc1
Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)Nc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1nc(cc(=O)n1CC(=O)Nc1ccccc1)[*:1]
Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)Nc2ccccc2)n1 O=C(C[*:1])Nc1ccccc1 Cc1cc(C)n(n1)-c1nc(cc(=O)n1[*:1])-c1ccccc1
Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)Nc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1nc(cc(=O)n1CC(=O)N[*:1])-c1ccccc1
O=C(NCCCO[C@H]1CCOC1)N1CC[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCCCO[C@H]1CCOC1)N1CC[C@H]1[*:1]
O=C(NCCCO[C@H]1CCOC1)N1CC[C@@H]1c1ccc(Cl)cc1 C1C[C@@H](CO1)OC[*:1] O=C(NCC[*:1])N1CC[C@@H]1c1ccc(Cl)cc1
O=C(NCCCO[C@H]1CCOC1)N1CC[C@@H]1c1ccc(Cl)cc1 C1C[C@@H](CO1)O[*:1] O=C(NCCC[*:1])N1CC[C@@H]1c1ccc(Cl)cc1
O=C(NCCCO[C@H]1CCOC1)N1CC[C@@H]1c1ccc(Cl)cc1 C1C[C@@H](CO1)[*:1] O=C(NCCCO[*:1])N1CC[C@@H]1c1ccc(Cl)cc1
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)NC[*:1]
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 Clc1ccc(cc1)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])NCc1ccc2OCOc2c1
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)N[*:1]
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1C[*:1])NCc1ccc2OCOc2c1
Cc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 c1cc(ccn1)[*:1] Cc1ccccc1NC(=O)NCc1cn(nc1[*:1])-c1ccccc1
Cc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 Cc1ccccc1[*:1] O=C(NCc1cn(nc1-c1ccncc1)-c1ccccc1)N[*:1]
Cc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)NCc1cn(nc1-c1ccncc1)[*:1]
CC(C)NC(=O)CNc1nc(Cl)ncc1Cl CC(C)[*:1] O=C(CNc1nc(Cl)ncc1Cl)N[*:1]
CCCCS(=O)(=O)c1nnc(NC(C)(C)C)s1 CC(C)(C)N[*:1] CCCCS(=O)(=O)c1nnc(s1)[*:1]
CCCCS(=O)(=O)c1nnc(NC(C)(C)C)s1 CCC[*:1] CC(C)(C)Nc1nnc(s1)S(=O)(=O)C[*:1]
CCCCS(=O)(=O)c1nnc(NC(C)(C)C)s1 CCCC[*:1] CC(C)(C)Nc1nnc(s1)S(=O)(=O)[*:1]
CCCCS(=O)(=O)c1nnc(NC(C)(C)C)s1 CC(C)(C)[*:1] CCCCS(=O)(=O)c1nnc(N[*:1])s1
COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1cc(OC)c(cc1C[NH2+][C@H](C)[*:1])OC
Cc1cccc(O[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CCC3)c1 Cc1cccc(c1)O[*:1] C[C@H](CNC(=O)C(=O)Nc1ccc2CCCc2c1)[*:1]
Cc1cccc(O[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CCC3)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)C(=O)Nc1ccc2CCCc2c1)O[*:1]
O=C(Cn1c(=O)cnc2ccccc21)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cn1c(=O)cnc2ccccc21)[*:1]
CN1C(=O)C[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H]1c1ccc(Cl)cc1 NC(=O)[*:1] CN1C(=O)C[C@H](NC(=O)c2ccc(cc2)[*:1])[C@@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)c2ccc(cc2)C(N)=O)[C@H]1[*:1]
COc1ccc(S(=O)(=O)Nc2cccc(CN(C)C(C)=O)c2)cc1C CC(=O)N(C)C[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1cccc(c1)[*:1]
COc1ccc(S(=O)(=O)Nc2cccc(CN(C)C(C)=O)c2)cc1C CC(=O)N(C)[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1cccc(c1)C[*:1]
C[C@@H](NC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32)c1cccc(c1)[*:1]
C[C@H](C1CC1)N(C(=O)CSc1ccc(Cl)nn1)C1CC1 C[C@H](C1CC1)[*:1] O=C(CSc1ccc(Cl)nn1)N(C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)CSc1ccc(Cl)nn1)C1CC1 C1CC1[*:1] C[C@H](C1CC1)N(C(=O)CSc1ccc(Cl)nn1)[*:1]
C[C@H](C1CC1)N(C(=O)CSc1ccc(Cl)nn1)C1CC1 C1CC1[*:1] C[C@H](N(C(=O)CSc1ccc(Cl)nn1)C1CC1)[*:1]
CC(C)(C)c1ncc(NC(=O)Cc2csc(-c3cnccn3)n2)cn1 CC(C)(C)[*:1] O=C(Cc1csc(n1)-c1cnccn1)Nc1cnc(nc1)[*:1]
CC(C)(C)c1ncc(NC(=O)Cc2csc(-c3cnccn3)n2)cn1 c1cnc(cn1)[*:1] CC(C)(C)c1ncc(cn1)NC(=O)Cc1csc(n1)[*:1]
COc1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 c1ccc2cc(ccc2c1)[*:1] COc1ccc(cc1)NC(=O)Cc1ccc(cc1)NS(=O)(=O)[*:1]
COc1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)NS(=O)(=O)c1ccc2ccccc2c1)N[*:1]
c1ccc(-n2cccn2)c(C[NH2+]Cc2ccnc(OC3CCC3)c2)c1 C1CC(C1)[*:1] c1ccc(c(c1)C[NH2+]Cc1ccnc(c1)O[*:1])-n1cccn1
c1ccc(-n2cccn2)c(C[NH2+]Cc2ccnc(OC3CCC3)c2)c1 C1CC(C1)O[*:1] c1ccc(c(c1)C[NH2+]Cc1ccnc(c1)[*:1])-n1cccn1
c1ccc(-n2cccn2)c(C[NH2+]Cc2ccnc(OC3CCC3)c2)c1 c1cnn(c1)[*:1] c1ccc(c(c1)C[NH2+]Cc1ccnc(c1)OC1CCC1)[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)NC(C)C CC(C)[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N[*:1]
Cc1nc([N+](=O)[O-])c(N2CCN(Cc3ccc(F)cc3)CC2)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(c(N2CCN(CC2)Cc2ccc(F)cc2)n1C[*:1])[N+](=O)[O-]
Cc1nc([N+](=O)[O-])c(N2CCN(Cc3ccc(F)cc3)CC2)n1Cc1ccccc1 Fc1ccc(cc1)[*:1] Cc1nc(c(N2CCN(CC2)C[*:1])n1Cc1ccccc1)[N+](=O)[O-]
Cc1nc([N+](=O)[O-])c(N2CCN(Cc3ccc(F)cc3)CC2)n1Cc1ccccc1 O=[N+]([O-])[*:1] Cc1nc(c(N2CCN(CC2)Cc2ccc(F)cc2)n1Cc1ccccc1)[*:1]
Cc1nc([N+](=O)[O-])c(N2CCN(Cc3ccc(F)cc3)CC2)n1Cc1ccccc1 Fc1ccc(cc1)C[*:1] Cc1nc(c(N2CCN(CC2)[*:1])n1Cc1ccccc1)[N+](=O)[O-]
Cc1nc([N+](=O)[O-])c(N2CCN(Cc3ccc(F)cc3)CC2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(c(N2CCN(CC2)Cc2ccc(F)cc2)n1[*:1])[N+](=O)[O-]
Cc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1ccncc1 CC(C)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CCN(CC1)[*:1]
Cc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCN(CC1)C(C)C
COc1ccc(F)cc1-c1csc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 COc1ccc(F)cc1[*:1] O=C(Cn1cc(ccc1=O)[N+](=O)[O-])Nc1nc(cs1)[*:1]
COc1ccc(F)cc1-c1csc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 O=[N+]([O-])[*:1] COc1ccc(F)cc1-c1csc(n1)NC(=O)Cn1cc(ccc1=O)[*:1]
CCOc1ccc(/N=C(\NC)S[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 CCOc1ccc(cc1)[*:1] CNC(=N[*:1])S[C@H]1CC(=O)N(C1=O)c1ccc(Cl)cc1
CCOc1ccc(/N=C(\NC)S[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 CCO[*:1] CN/C(=N\c1ccc(cc1)[*:1])S[C@H]1CC(=O)N(C1=O)c1ccc(Cl)cc1
CCOc1ccc(/N=C(\NC)S[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)/N=C(\NC)S[C@H]1CC(=O)N(C1=O)[*:1]
CCOc1ccc2c(c1)CN(C(=O)c1cc(C3CC3)nc3c1c(=O)[nH]n3C)CC2 CCO[*:1] Cn1[nH]c(=O)c2c(cc(nc21)C1CC1)C(=O)N1CCc2ccc(cc2C1)[*:1]
CCOc1ccc2c(c1)CN(C(=O)c1cc(C3CC3)nc3c1c(=O)[nH]n3C)CC2 C1CC1[*:1] CCOc1ccc2CCN(Cc2c1)C(=O)c1cc(nc2c1c(=O)[nH]n2C)[*:1]
S[C@H]1N=N[C@H]([C@@H]2C=C(c3ccccc3)N=N2)N1/N=C/c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] S[C@H]1N=N[C@H]([C@@H]2C=C(N=N2)c2ccccc2)N1N=C[*:1]
S[C@H]1N=N[C@H]([C@@H]2C=C(c3ccccc3)N=N2)N1/N=C/c1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] S[C@H]1N=N[C@H]([C@@H]2C=C(N=N2)[*:1])N1/N=C/c1ccc(Cl)c(Cl)c1
C=CCNC(=O)CSc1nc(-c2ccc(CC)cc2)n[nH]1 C=CCNC(=O)[*:1] CCc1ccc(cc1)-c1n[nH]c(n1)SC[*:1]
C=CCNC(=O)CSc1nc(-c2ccc(CC)cc2)n[nH]1 C=CC[*:1] CCc1ccc(cc1)-c1n[nH]c(n1)SCC(=O)N[*:1]
C=CCNC(=O)CSc1nc(-c2ccc(CC)cc2)n[nH]1 C=CCNC(=O)C[*:1] CCc1ccc(cc1)-c1n[nH]c(n1)S[*:1]
CCCNC(=O)[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1C CCCNC(=O)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C)[*:1]
CCCNC(=O)[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1C CCC[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C)C(=O)N[*:1]
CCCNC(=O)[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1C c1ccc(cc1)[*:1] CCCNC(=O)[C@H](C)NC(=O)c1cnn(c1C)[*:1]
O=C(NCc1ccc(F)cc1)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12 O=[N+]([O-])[*:1] O=C(NCc1ccc(F)cc1)c1cnn2c(ccnc12)-c1cccc(c1)[*:1]
O=C(NCc1ccc(F)cc1)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NCc1ccc(F)cc1)c1cnn2c(ccnc12)[*:1]
O=C(NCc1ccc(F)cc1)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12 Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1cnn2c(ccnc12)-c1cccc(c1)[N+](=O)[O-]
O=C(NCc1ccc(F)cc1)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12 Fc1ccc(cc1)C[*:1] O=C(N[*:1])c1cnn2c(ccnc12)-c1cccc(c1)[N+](=O)[O-]
CCCc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@@H](CO)C2)cc1 CCC[*:1] C[NH+](C)C[C@@H]1CN(C[C@@H]1CO)C(=O)c1ccc(cc1)[*:1]
CCCC(=O)NCCNc1ccc(-n2ccc(C)n2)nn1 CCCC(=O)NC[*:1] Cc1ccn(n1)-c1ccc(nn1)NC[*:1]
CCCC(=O)NCCNc1ccc(-n2ccc(C)n2)nn1 Cc1ccn(n1)[*:1] CCCC(=O)NCCNc1ccc(nn1)[*:1]
CCCC(=O)NCCNc1ccc(-n2ccc(C)n2)nn1 CCCC(=O)N[*:1] Cc1ccn(n1)-c1ccc(nn1)NCC[*:1]
CCCC(=O)NCCNc1ccc(-n2ccc(C)n2)nn1 CCC[*:1] Cc1ccn(n1)-c1ccc(nn1)NCCNC(=O)[*:1]
C[C@@H](NC(=S)NCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=S)NCc1ccccc1)[*:1]
C[C@@H](NC(=S)NCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=S)NC[*:1])c1ccccc1
O=C(Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 Clc1ccc(Cl)c(c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)c1ccccc1
O=C(Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cc(Cl)ccc1Cl)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(F)c(F)c1F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(F)c(F)c1F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)[*:1]
O=C(Nc1ccc(F)c(F)c1F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F FC(F)(F)C(F)(F)[*:1] O=C(Nc1ccc(F)c(F)c1F)[C@](F)(OC(F)(F)[*:1])C(F)(F)F
O=C(Nc1ccc(F)c(F)c1F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(F)c(F)c1F)[C@](F)(OC(F)(F)C(F)(F)[*:1])C(F)(F)F
O=C(Nc1ccc(F)c(F)c1F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F Fc1ccc(c(F)c1F)[*:1] O=C(N[*:1])[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
Cc1cc2nc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)sc2cc1C CC(C)[*:1] Cc1cc2nc(NC(=O)Cc3ccc(cc3)S(=O)(=O)[*:1])sc2cc1C
Cc1cc2nc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)sc2cc1C CC(C)S(=O)(=O)[*:1] Cc1cc2nc(NC(=O)Cc3ccc(cc3)[*:1])sc2cc1C
C[NH2+][C@H](C(C)C)[C@H]1CCO[C@H](C(C)C)C1 CC(C)[*:1] C[NH2+][C@H](C(C)C)[C@H]1CCO[C@H](C1)[*:1]
C[NH2+][C@H](C(C)C)[C@H]1CCO[C@H](C(C)C)C1 CC(C)[*:1] C[NH2+][C@H]([C@H]1CCO[C@@H](C1)C(C)C)[*:1]
N#C[C@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@@H]1c1cccc(Br)c1 c1ccc(cc1)[*:1] N#C[C@H]1C(=O)Nc2nn(c(O)c2[C@@H]1c1cccc(Br)c1)[*:1]
N#C[C@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] N#C[C@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@H]1[*:1]
CCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)c1ccccc1F Fc1ccccc1[*:1] CCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)[*:1]
CCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)c1ccccc1F Clc1ccc(cc1)[*:1] CCc1[nH]nc(c1NC(=O)c1ccccc1F)[*:1]
CN(Cc1nccn1C(F)F)C(=O)CCNC(=O)c1ccco1 c1coc(c1)[*:1] CN(Cc1nccn1C(F)F)C(=O)CCNC(=O)[*:1]
CN(Cc1nccn1C(F)F)C(=O)CCNC(=O)c1ccco1 FC(F)[*:1] CN(Cc1nccn1[*:1])C(=O)CCNC(=O)c1ccco1
Cc1ccc(CNC(=O)c2csc(-c3cccnc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1csc(n1)-c1cccnc1
Cc1ccc(CNC(=O)c2csc(-c3cccnc3)n2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)CNC(=O)c1csc(n1)[*:1]
CCC(=O)N1CCN(c2nnc(SCC(=O)NC)s2)CC1 CNC(=O)[*:1] CCC(=O)N1CCN(CC1)c1nnc(SC[*:1])s1
CCC(=O)N1CCN(c2nnc(SCC(=O)NC)s2)CC1 CNC(=O)C[*:1] CCC(=O)N1CCN(CC1)c1nnc(S[*:1])s1
CCC(=O)N1CCN(c2nnc(SCC(=O)NC)s2)CC1 CNC(=O)CS[*:1] CCC(=O)N1CCN(CC1)c1nnc(s1)[*:1]
Cc1cc(NC(=O)NCc2ccc3c(c2)OCCCO3)on1 Cc1cc(on1)[*:1] O=C(NCc1ccc2OCCCOc2c1)N[*:1]
Cc1ccc2nc(NCc3ccccc3Cl)c(-c3noc(C)n3)cc2c1 Clc1ccccc1[*:1] Cc1ccc2nc(NC[*:1])c(cc2c1)-c1noc(C)n1
Cc1ccc2nc(NCc3ccccc3Cl)c(-c3noc(C)n3)cc2c1 Cc1nc(no1)[*:1] Cc1ccc2nc(NCc3ccccc3Cl)c(cc2c1)[*:1]
Cc1ccc2nc(NCc3ccccc3Cl)c(-c3noc(C)n3)cc2c1 Clc1ccccc1C[*:1] Cc1ccc2nc(N[*:1])c(cc2c1)-c1noc(C)n1
Cc1ccc2cccc(OS(=O)(=O)c3ccc(-n4ncc(Cl)c(Cl)c4=O)cc3)c2n1 O=c1c(Cl)c(Cl)cnn1[*:1] Cc1ccc2cccc(OS(=O)(=O)c3ccc(cc3)[*:1])c2n1
COc1cccnc1NC(=O)c1ccc(OCC2CC2)cc1 C1CC1CO[*:1] COc1cccnc1NC(=O)c1ccc(cc1)[*:1]
COc1cccnc1NC(=O)c1ccc(OCC2CC2)cc1 C1CC1C[*:1] COc1cccnc1NC(=O)c1ccc(cc1)O[*:1]
COc1cccnc1NC(=O)c1ccc(OCC2CC2)cc1 C1CC1[*:1] COc1cccnc1NC(=O)c1ccc(cc1)OC[*:1]
Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(C#N)cc1)C2=O N#Cc1ccc(cc1)[*:1] Cc1ccc2C(=O)N(CCCC(=O)N[*:1])C(=O)c2c1
CCCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(C)o1 Cc1ccc(o1)[*:1] CCCn1cc(cc1C(=O)NC[*:1])-c1ccncc1
CCCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(C)o1 c1cc(ccn1)[*:1] CCCn1cc(cc1C(=O)NCc1ccc(C)o1)[*:1]
CCCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(C)o1 CCC[*:1] Cc1ccc(CNC(=O)c2cc(cn2[*:1])-c2ccncc2)o1
CCCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(C)o1 Cc1ccc(C[*:1])o1 CCCn1cc(cc1C(=O)N[*:1])-c1ccncc1
Cc1cn2c(=O)c(C(=O)N[C@H]3CCCCC[C@@H]3C(N)=O)cnc2s1 NC(=O)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@H]1CCCCC[C@H]1[*:1]
Cc1cc(Oc2ccc(CC#N)cc2)c([C@@H](C)[NH3+])cc1F N#CC[*:1] Cc1cc(Oc2ccc(cc2)[*:1])c(cc1F)[C@@H](C)[NH3+]
CCCCC(=O)[C@H]1CCCc2cccnc21 CCC[*:1] O=C(C[*:1])[C@H]1CCCc2cccnc21
CCCCC(=O)[C@H]1CCCc2cccnc21 CCCC[*:1] O=C([C@H]1CCCc2cccnc21)[*:1]
NC(=O)[C@H]1CCN(C(=O)C2=NO[C@H](c3ccccc3)C2)c2ccccc21 c1ccc(cc1)[*:1] NC(=O)[C@H]1CCN(C(=O)C2C[C@@H](ON=2)[*:1])c2ccccc21
NC(=O)[C@H]1CCN(C(=O)C2=NO[C@H](c3ccccc3)C2)c2ccccc21 NC(=O)[*:1] O=C(C1C[C@H](ON=1)c1ccccc1)N1CC[C@@H](c2ccccc21)[*:1]
COc1ccc([C@H](CNC(=O)C=C(C)C)N2CCOCC2)cc1 CC(C)=CC(=O)N[*:1] COc1ccc(cc1)[C@H](C[*:1])N1CCOCC1
COc1ccc([C@H](CNC(=O)C=C(C)C)N2CCOCC2)cc1 CC(C)=C[*:1] COc1ccc(cc1)[C@H](CNC(=O)[*:1])N1CCOCC1
COc1ccc([C@H](CNC(=O)C=C(C)C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)C=C(C)C)[*:1]
BrC[C@H](C[C@@H]1COc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] BrC[C@H](C[C@@H]1COc2ccccc21)[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)CO[*:1] COc1ccc(cc1[*:1])[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1OC[*:1])[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1O[*:1])[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21
CC(=O)C[C@H]1CCCCCN1C(=O)N1CCCC1 CC(=O)[*:1] O=C(N1CCCC1)N1CCCCC[C@@H]1C[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)N1CCCC1 CC(=O)C[*:1] O=C(N1CCCC1)N1CCCCC[C@@H]1[*:1]
CC(C)(C)c1cc(=O)[nH]c2cc(NC(=O)c3ccc(F)cc3Cl)ccc12 CC(C)(C)[*:1] O=C(Nc1ccc2c(cc(=O)[nH]c2c1)[*:1])c1ccc(F)cc1Cl
CC(C)(C)c1cc(=O)[nH]c2cc(NC(=O)c3ccc(F)cc3Cl)ccc12 Fc1ccc(c(Cl)c1)[*:1] CC(C)(C)c1cc(=O)[nH]c2cc(ccc12)NC(=O)[*:1]
COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(-c2ccccc2C)nn1C COc1ccccc1[*:1] Cc1ccccc1-c1cc(NC(=O)[C@@H]2C[C@@H]2[*:1])n(C)n1
COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(-c2ccccc2C)nn1C Cc1ccccc1[*:1] COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(nn1C)[*:1]
Cc1c(NC(=O)N[C@H]2CCOC2)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)N[C@H]1CCOC1
Cc1c(NC(=O)N[C@H]2CCOC2)cccc1C(=O)[O-] C1C[C@@H](CO1)[*:1] Cc1c(cccc1C(=O)[O-])NC(=O)N[*:1]
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](O)CO2 CC(C)(C)[*:1] O=C(O[*:1])N1CCC2(CC1)C[C@H](O)CO2
C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 Clc1cccc(c1)[*:1] C=C(c1ccccc1OC[*:1])n1ccnc1
C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 c1cn(cn1)[*:1] C=C(c1ccccc1OCc1cccc(Cl)c1)[*:1]
C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 C=C(n1ccnc1)[*:1] Clc1cccc(c1)COc1ccccc1[*:1]
CNS(=O)(=O)[C@H]1CCOC[C@@H]1Cc1c(Cl)cccc1Cl CNS(=O)(=O)[*:1] Clc1cccc(Cl)c1C[C@H]1COCC[C@@H]1[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccc(nc1)[*:1]
Cc1ccc(Cn2nccc2NC(=O)c2cccn2C)cc1 Cn1cccc1[*:1] Cc1ccc(cc1)Cn1nccc1NC(=O)[*:1]
Cc1ccc(Cn2nccc2NC(=O)c2cccn2C)cc1 Cc1ccc(cc1)[*:1] Cn1cccc1C(=O)Nc1ccnn1C[*:1]
O=c1oc2ccccc2n1CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1Cl)[*:1] O=c1oc2ccccc2n1CN1CCO[C@H](C1)[*:1]
CC(=O)NC[C@H](O)Cc1ccccc1 CC(=O)N[*:1] O[C@H](Cc1ccccc1)C[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(C#Cc2ccccn2)c1 c1ccc(nc1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(C#C[*:1])c1
Cc1nc2ccccc2nc1C[C@H](O)CO OC[C@@H](O)C[*:1] Cc1nc2ccccc2nc1[*:1]
Cc1nc2ccccc2nc1C[C@H](O)CO OC[C@@H](O)[*:1] Cc1nc2ccccc2nc1C[*:1]
Cc1ccc(-c2nn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c3nc(C)sc23)cc1 Cc1ccc(cc1Cl)[*:1] Cc1ccc(cc1)-c1nn(CC(=O)N[*:1])c(=O)c2nc(C)sc12
Cc1ccc(-c2nn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c3nc(C)sc23)cc1 Cc1ccc(cc1)[*:1] Cc1nc2c(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)nc(c2s1)[*:1]
CCOC(=O)c1cccc(N2CCCN(C(=O)c3ccccc3F)CC2)n1 CCOC(=O)[*:1] O=C(c1ccccc1F)N1CCCN(CC1)c1cccc(n1)[*:1]
CCOC(=O)c1cccc(N2CCCN(C(=O)c3ccccc3F)CC2)n1 Fc1ccccc1[*:1] CCOC(=O)c1cccc(n1)N1CCCN(CC1)C(=O)[*:1]
Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1 O=[N+]([O-])[*:1] Cc1ccc2nc([nH]c2c1)-c1ccc(cc1)[*:1]
O=C(CCc1cccnc1)NCC[C@H](O)c1ccccc1 c1cncc(c1)[*:1] O=C(CC[*:1])NCC[C@H](O)c1ccccc1
O=C(CCc1cccnc1)NCC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1cccnc1)NCC[C@H](O)[*:1]
O=C(CCc1cccnc1)NCC[C@H](O)c1ccccc1 c1cncc(c1)C[*:1] O=C(C[*:1])NCC[C@H](O)c1ccccc1
COCc1ccccc1CNC(=O)c1nc(C2CC2)n2ccccc12 COC[*:1] O=C(NCc1ccccc1[*:1])c1nc(C2CC2)n2ccccc12
COCc1ccccc1CNC(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] COCc1ccccc1CNC(=O)c1nc(n2ccccc12)[*:1]
COCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 COCC[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])[C@@H]1C[C@H]2CC[C@@H]1C2
COCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 COC[*:1] O=C(NC1CCN(CC1)C(=O)C[*:1])[C@@H]1C[C@H]2CC[C@@H]1C2
O=C([O-])Cn1ccc(C(=O)NCCCN2CCOCC2)n1 O=C([O-])[*:1] O=C(NCCCN1CCOCC1)c1ccn(C[*:1])n1
O=C([O-])Cn1ccc(C(=O)NCCCN2CCOCC2)n1 C1CN(CCO1)[*:1] O=C([O-])Cn1ccc(n1)C(=O)NCCC[*:1]
O=C([O-])Cn1ccc(C(=O)NCCCN2CCOCC2)n1 O=C([O-])C[*:1] O=C(NCCCN1CCOCC1)c1ccn(n1)[*:1]
O=C([O-])Cn1ccc(C(=O)NCCCN2CCOCC2)n1 C1CN(CCO1)C[*:1] O=C([O-])Cn1ccc(n1)C(=O)NCC[*:1]
Cc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C(=O)N3c4ccccc4C[C@@H]3C)cc2n1 Cc1nn(C)cc1[*:1] C[C@H]1Cc2ccccc2N1C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
Cc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C(=O)N3c4ccccc4C[C@@H]3C)cc2n1 FC(F)(F)[*:1] Cc1nn(C)cc1-c1cc(n2nc(cc2n1)C(=O)N1c2ccccc2C[C@@H]1C)[*:1]
C[C@H](Cn1cc[nH+]c1)NC(=O)C1CC1 C1CC1[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)[*:1]
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)on1 Cc1cc(on1)[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)[*:1]
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)on1 FC(F)(F)[*:1] Cc1cc(on1)C(=O)Nc1cc(ccc1Cl)[*:1]
COC[C@H](C(C)C)N1C[C@H](C)C(=O)NC1=O COC[*:1] CC(C)[C@H](N1C[C@H](C)C(=O)NC1=O)[*:1]
COC[C@H](C(C)C)N1C[C@H](C)C(=O)NC1=O CC(C)[*:1] COC[C@H](N1C[C@H](C)C(=O)NC1=O)[*:1]
COc1cc2c(cc1OC)C1=NC(=O)[C@@H](C(C)C)N1C(=S)N2 CC(C)[*:1] COc1cc2NC(=S)N3C(=NC(=O)[C@@H]3[*:1])c2cc1OC
COc1ccc(CN2CC(=O)C(c3n(C)c4ccccc4[n+]3C)=C2N)cc1 COc1ccc(cc1)C[*:1] Cn1c(C2C(=O)CN(C=2N)[*:1])[n+](C)c2ccccc21
COc1ccc(CN2CC(=O)C(c3n(C)c4ccccc4[n+]3C)=C2N)cc1 COc1ccc(cc1)[*:1] Cn1c(C2C(=O)CN(C[*:1])C=2N)[n+](C)c2ccccc21
CCOc1cc2c(cc1NC(=O)c1scnc1C)O[C@H](C)C2 CCO[*:1] Cc1ncsc1C(=O)Nc1cc2O[C@H](C)Cc2cc1[*:1]
CCOc1cc2c(cc1NC(=O)c1scnc1C)O[C@H](C)C2 Cc1ncsc1[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)[*:1]
CCn1cc(C(=O)N(CCc2cccs2)Cc2cccnc2)c(=O)c2ccc(C)nc21 c1csc(c1)C[*:1] CCn1cc(C(=O)N(Cc2cccnc2)C[*:1])c(=O)c2ccc(C)nc21
CCn1cc(C(=O)N(CCc2cccs2)Cc2cccnc2)c(=O)c2ccc(C)nc21 c1csc(c1)[*:1] CCn1cc(C(=O)N(CC[*:1])Cc2cccnc2)c(=O)c2ccc(C)nc21
CCn1cc(C(=O)N(CCc2cccs2)Cc2cccnc2)c(=O)c2ccc(C)nc21 c1cncc(c1)C[*:1] CCn1cc(C(=O)N(CCc2cccs2)[*:1])c(=O)c2ccc(C)nc21
CCn1cc(C(=O)N(CCc2cccs2)Cc2cccnc2)c(=O)c2ccc(C)nc21 c1cncc(c1)[*:1] CCn1cc(C(=O)N(CCc2cccs2)C[*:1])c(=O)c2ccc(C)nc21
CCn1cc(C(=O)N(CCc2cccs2)Cc2cccnc2)c(=O)c2ccc(C)nc21 c1csc(c1)CC[*:1] CCn1cc(C(=O)N(Cc2cccnc2)[*:1])c(=O)c2ccc(C)nc21
CCOC(=O)c1cc(C(=O)NN2Cc3ccccc3C2)cc([N+](=O)[O-])c1 CCOC(=O)[*:1] O=C(NN1Cc2ccccc2C1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CCOC(=O)c1cc(C(=O)NN2Cc3ccccc3C2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)c1cc(cc(c1)[*:1])C(=O)NN1Cc2ccccc2C1
CCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 O=C([O-])[*:1] CCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(cs1)[*:1]
CCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 CCO[*:1] O=C([O-])c1csc(c1)S(=O)(=O)[N-]c1cc(Cl)ccc1[*:1]
CCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CC)c1c(C)nn(C)c1C CCC[*:1] CC[C@H](NC(=O)[C@@H]1CSCN1C(=O)[*:1])c1c(C)nn(C)c1C
CCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CC)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CC)[*:1]
COc1ccc([C@](C)(O)Cc2nc(C)cs2)cc1 Cc1csc(n1)[*:1] COc1ccc(cc1)[C@](C)(O)C[*:1]
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCO[C@H](C1)[*:1]
O=C1CC[C@@H](COC(=O)c2cnn(Cc3ccccc3Cl)c2)N1 Clc1ccccc1[*:1] O=C1CC[C@@H](COC(=O)c2cnn(c2)C[*:1])N1
C[C@@H]1CCCN(C(=O)N(CCC[NH3+])C2CCCCC2)C1 C1CCC(CC1)[*:1] C[C@@H]1CCCN(C1)C(=O)N(CCC[NH3+])[*:1]
COCCN(Cc1scnc1C)CC(F)F FC(F)[*:1] COCCN(Cc1scnc1C)C[*:1]
COCCN(Cc1scnc1C)CC(F)F COCC[*:1] Cc1ncsc1CN(CC(F)F)[*:1]
COCCN(Cc1scnc1C)CC(F)F COC[*:1] Cc1ncsc1CN(CC(F)F)C[*:1]
COCCN(Cc1scnc1C)CC(F)F FC(F)C[*:1] COCCN(Cc1scnc1C)[*:1]
Cc1cc(Cc2ccccc2)cc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)[nH+]1 c1ccc(cc1)C[*:1] Cc1cc(cc([nH+]1)C1CCN(CC1)C(=O)C[C@H]1C=CCC1)[*:1]
Cc1cc(Cc2ccccc2)cc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)[nH+]1 c1ccc(cc1)[*:1] Cc1cc(cc([nH+]1)C1CCN(CC1)C(=O)C[C@H]1C=CCC1)C[*:1]
Cc1ccccc1[C@H]1NC(=O)NC2=C1C(=O)N(CCc1ccccc1)C2 c1ccc(cc1)C[*:1] Cc1ccccc1[C@H]1NC(=O)NC2CN(C[*:1])C(=O)C=21
Cc1ccccc1[C@H]1NC(=O)NC2=C1C(=O)N(CCc1ccccc1)C2 c1ccc(cc1)[*:1] Cc1ccccc1[C@H]1NC(=O)NC2CN(CC[*:1])C(=O)C=21
Cc1ccccc1[C@H]1NC(=O)NC2=C1C(=O)N(CCc1ccccc1)C2 c1ccc(cc1)CC[*:1] Cc1ccccc1[C@H]1NC(=O)NC2CN(C(=O)C=21)[*:1]
Cc1ccccc1[C@H]1NC(=O)NC2=C1C(=O)N(CCc1ccccc1)C2 Cc1ccccc1[*:1] O=C1NC2CN(CCc3ccccc3)C(=O)C=2[C@H](N1)[*:1]
O=CN1CCC[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] O=CN1CCC[C@@H](C1)[*:1]
O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NC1CCCC1 C1CCC(C1)[*:1] O=C(CSc1nc2sc3CCCCc3c2c(=O)[nH]1)N[*:1]
O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=c1[nH]c(nc2sc3CCCCc3c12)SC[*:1]
COCCn1c([C@](C)(N)C(F)(F)F)nc2ccccc21 COC[*:1] C[C@](N)(c1nc2ccccc2n1C[*:1])C(F)(F)F
COCCn1c([C@](C)(N)C(F)(F)F)nc2ccccc21 COCC[*:1] C[C@](N)(c1nc2ccccc2n1[*:1])C(F)(F)F
COCCn1c([C@](C)(N)C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] COCCn1c(nc2ccccc21)[C@](C)(N)[*:1]
COCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] COCC[C@@H](C)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 COC[*:1] C[C@H](C[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(F)c1
COCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 COCC[*:1] C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(F)c1)[*:1]
CCc1ccsc1CNC(=O)N1CCN(CC(F)(F)C(F)F)CC1 FC(F)[*:1] CCc1ccsc1CNC(=O)N1CCN(CC1)CC(F)(F)[*:1]
CCc1ccsc1CNC(=O)N1CCN(CC(F)(F)C(F)F)CC1 FC(F)C(F)(F)C[*:1] CCc1ccsc1CNC(=O)N1CCN(CC1)[*:1]
CCc1ccsc1CNC(=O)N1CCN(CC(F)(F)C(F)F)CC1 CCc1ccsc1C[*:1] O=C(N[*:1])N1CCN(CC1)CC(F)(F)C(F)F
CCc1ccsc1CNC(=O)N1CCN(CC(F)(F)C(F)F)CC1 CCc1ccsc1[*:1] O=C(NC[*:1])N1CCN(CC1)CC(F)(F)C(F)F
CCc1ccsc1CNC(=O)N1CCN(CC(F)(F)C(F)F)CC1 FC(F)C(F)(F)[*:1] CCc1ccsc1CNC(=O)N1CCN(CC1)C[*:1]
CS[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCC(N)=O)cc1 NC(=O)[*:1] CS[C@@H](C)C(=O)N[C@@H](C)c1ccc(cc1)OC[*:1]
CS[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCC(N)=O)cc1 NC(=O)CO[*:1] CS[C@@H](C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CS[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCC(N)=O)cc1 CS[C@@H](C)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)OCC(N)=O
CS[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCC(N)=O)cc1 NC(=O)C[*:1] CS[C@@H](C)C(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)CCc2n[nH]c3c2CCCC3)CC1 C1CCc2c(n[nH]c2C1)[*:1] COCCn1cc[nH+]c1C1CCN(CC1)C(=O)CC[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)CCc2n[nH]c3c2CCCC3)CC1 COC[*:1] O=C(CCc1n[nH]c2CCCCc12)N1CCC(CC1)c1[nH+]ccn1C[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)CCc2n[nH]c3c2CCCC3)CC1 COCC[*:1] O=C(CCc1n[nH]c2CCCCc12)N1CCC(CC1)c1[nH+]ccn1[*:1]
CNC(=O)c1ccc(C[S@@](=O)Cc2ncc(-c3cccs3)o2)cc1 CNC(=O)[*:1] O=[S@](Cc1ccc(cc1)[*:1])Cc1ncc(o1)-c1cccs1
CNC(=O)c1ccc(C[S@@](=O)Cc2ncc(-c3cccs3)o2)cc1 c1csc(c1)[*:1] CNC(=O)c1ccc(cc1)C[S@@](=O)Cc1ncc(o1)[*:1]
CCn1c(C2CCN(C(=O)C[C@H](C)C(C)C)CC2)n[nH]c1=S CC(C)[*:1] CCn1c(n[nH]c1=S)C1CCN(CC1)C(=O)C[C@H](C)[*:1]
CCn1c(C2CCN(C(=O)C[C@H](C)C(C)C)CC2)n[nH]c1=S CC(C)[C@@H](C)C[*:1] CCn1c(n[nH]c1=S)C1CCN(CC1)C(=O)[*:1]
CCn1c(C2CCN(C(=O)C[C@H](C)C(C)C)CC2)n[nH]c1=S CC(C)[C@@H](C)[*:1] CCn1c(n[nH]c1=S)C1CCN(CC1)C(=O)C[*:1]
CC[C@@H](C)c1ccc([C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C(C)C)cc1 CC(C)[*:1] CC[C@@H](C)c1ccc(cc1)[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
CC[C@@H](C)c1ccc([C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C(C)C)cc1 CC[C@@H](C)c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
CC[C@@H](C)c1ccc([C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C(C)C)cc1 CC[C@@H](C)[*:1] CC(C)[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(cc1)[*:1]
c1ccc(OCCCNC2=[NH+]CCCCC2)cc1 c1ccc(cc1)[*:1] C1CC[NH+]=C(CC1)NCCCO[*:1]
CC(=O)COC(=O)c1ccc(-n2ccnn2)cc1 CC(=O)C[*:1] O=C(O[*:1])c1ccc(cc1)-n1ccnn1
CC(=O)COC(=O)c1ccc(-n2ccnn2)cc1 CC(=O)[*:1] O=C(OC[*:1])c1ccc(cc1)-n1ccnn1
CC(=O)COC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CC(=O)COC(=O)c1ccc(cc1)[*:1]
Fc1ccc(Br)cc1C[NH2+]Cc1ccon1 c1cc(no1)[*:1] Fc1ccc(Br)cc1C[NH2+]C[*:1]
CCC1(CC)CCN([C@@H](C[NH3+])c2ccc(C3CC3)cc2)C1 C1CC1[*:1] CCC1(CC)CCN(C1)[C@@H](C[NH3+])c1ccc(cc1)[*:1]
O=C1CC[C@@]2(CCCN(C(=O)c3ccccc3)C2)CN1CCc1c[nH]c[nH+]1 c1ccc(cc1)[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)[*:1])CN1CCc1c[nH]c[nH+]1
Cc1csc(N2CCCN(C(=O)C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 Cc1csc(n1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)C(=O)N1CCCN(CC1)[*:1]
Cc1csc(N2CCCN(C(=O)C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 Fc1ccc(cc1Cl)[*:1] Cc1csc(n1)N1CCCN(CC1)C(=O)C(=O)N[*:1]
CCc1cc(=O)[nH]c(NC2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1 CN(C)c1ccc(cc1)[*:1] CCc1cc(=O)[nH]c(n1)NC1CCN(CC1)C(=O)[*:1]
CCc1cc(=O)[nH]c(NC2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1 CN(C)[*:1] CCc1cc(=O)[nH]c(n1)NC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 Clc1cccc(c1)[*:1] O=C(N[*:1])N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)C(F)(F)F)[*:1]
Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)N(C(=O)C(F)(F)F)[C@@H](C(=O)N[*:1])c1ccncc1
Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 O=C(NC1CCCCC1)[*:1] Cc1ccc(cc1)N(C(=O)C(F)(F)F)[C@@H](c1ccncc1)[*:1]
Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)N(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)[*:1]
Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)N(C(=O)[*:1])[C@@H](C(=O)NC1CCCCC1)c1ccncc1
Nc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 c1ccc2c(cccc2c1)[*:1] Nc1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)OC(=O)[*:1]
Nc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 Nc1ccc(cc1)[*:1] O=C(Oc1ccc(/C=N/NC(=O)[*:1])cc1)c1cccc2ccccc12
Cc1ccc(NC(=O)NCCn2c(-c3ccncc3)nc3cccnc32)c(C)c1 c1cc(ccn1)[*:1] Cc1ccc(NC(=O)NCCn2c(nc3cccnc32)[*:1])c(C)c1
Cc1ccc(NC(=O)NCCn2c(-c3ccncc3)nc3cccnc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NCCn1c(nc2cccnc21)-c1ccncc1)N[*:1]
COC(=O)Cn1c(C)nc(Cl)c1Cl COC(=O)[*:1] Cc1nc(Cl)c(Cl)n1C[*:1]
O=C([O-])[C@H]1Cc2cc(O)ccc2C[NH2+]1 O=C([O-])[*:1] Oc1ccc2C[NH2+][C@H](Cc2c1)[*:1]
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)NN=C[*:1]
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2[*:1])cc1
COc1cc(OC)cc(-c2nnc(SC[C@H](O)c3cccc(F)c3)o2)c1 Fc1cccc(c1)[*:1] COc1cc(cc(c1)-c1nnc(o1)SC[C@H](O)[*:1])OC
COC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)CC1 Fc1cccc(C[*:1])c1F COC1CCN(CC1)C(=O)C[C@@H]1C(=O)NCCN1[*:1]
COC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)CC1 Fc1cccc(c1F)[*:1] COC1CCN(CC1)C(=O)C[C@@H]1C(=O)NCCN1C[*:1]
O=C(c1ccc(=O)[nH]c1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(=O)[nH]c1)N1CCC(CC1)Cn1cc[nH+]c1[*:1]
O=C(c1ccc(=O)[nH]c1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 O=c1ccc(c[nH]1)[*:1] O=C(N1CCC(CC1)Cn1cc[nH+]c1-c1ccccc1)[*:1]
COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2OC)cc1 c1csc(c1)[*:1] COc1ccc(cc1)C(=O)N(C)CC(=O)N1N=C(C[C@H]1c1ccccc1OC)[*:1]
COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1CC(=NN1C(=O)CN(C)C(=O)[*:1])c1cccs1
COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)C(=O)N(C)CC(=O)N1N=C(C[C@@H]1[*:1])c1cccs1
CCCCCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1 CCC[*:1] O=C1NC(=O)/C(=C/c2ccc(cc2)OCCC[*:1])S1
CCCCCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1 CCCCCCO[*:1] O=C1NC(=O)/C(=C/c2ccc(cc2)[*:1])S1
CCCCCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1 CCCC[*:1] O=C1NC(=O)/C(=C/c2ccc(cc2)OCC[*:1])S1
CCCCCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1 CCCCC[*:1] O=C1NC(=O)/C(=C/c2ccc(cc2)OC[*:1])S1
CCCCCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1 CCCCCC[*:1] O=C1NC(=O)/C(=C/c2ccc(cc2)O[*:1])S1
COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2ccccc2C)c1C Cc1ccc(cc1)C(=O)N[*:1] COC(=O)c1c(sc(C(=O)Nc2ccccc2C)c1C)[*:1]
COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2ccccc2C)c1C Cc1ccccc1[*:1] COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)N[*:1])c1C
COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2ccccc2C)c1C Cc1ccccc1NC(=O)[*:1] COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(c1C)[*:1]
COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2ccccc2C)c1C Cc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)Nc2ccccc2C)c1C
COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2ccccc2C)c1C COC(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1sc(C(=O)Nc2ccccc2C)c(C)c1[*:1]
CC(C)n1nc(C(=O)NC[C@H](C)CN2CCOCC2)c2ccccc2c1=O CC(C)[*:1] C[C@@H](CNC(=O)c1nn(c(=O)c2ccccc12)[*:1])CN1CCOCC1
CC(C)n1nc(C(=O)NC[C@H](C)CN2CCOCC2)c2ccccc2c1=O C1CN(CCO1)C[*:1] CC(C)n1nc(C(=O)NC[C@H](C)[*:1])c2ccccc2c1=O
CC(C)n1nc(C(=O)NC[C@H](C)CN2CCOCC2)c2ccccc2c1=O C1CN(CCO1)[*:1] CC(C)n1nc(C(=O)NC[C@H](C)C[*:1])c2ccccc2c1=O
CC(C)(C)NC(=O)Nc1[nH]ncc1C#N CC(C)(C)[*:1] N#Cc1cn[nH]c1NC(=O)N[*:1]
CC1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 CC1CCC(CC1)[*:1] c1cc(cc[nH+]1)N1CCC(CC1)C[NH2+][*:1]
CC1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 c1cc(cc[nH+]1)[*:1] CC1CCC(CC1)[NH2+]CC1CCN(CC1)[*:1]
Cc1cc(CSCc2coc(-c3cccc(F)c3)n2)no1 Cc1cc(no1)[*:1] Fc1cccc(c1)-c1nc(co1)CSC[*:1]
Cc1cc(CSCc2coc(-c3cccc(F)c3)n2)no1 Fc1cccc(c1)[*:1] Cc1cc(CSCc2coc(n2)[*:1])no1
Cc1cc(CSCc2coc(-c3cccc(F)c3)n2)no1 Cc1cc(C[*:1])no1 Fc1cccc(c1)-c1nc(co1)CS[*:1]
C#CCC[NH+]1CCC(NC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 NC(=O)[*:1] C#CCC[NH+]1CCC(CC1)NC(=O)Nc1ccc(c(Cl)c1)[*:1]
C#CCC[NH+]1CCC(NC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 C#CC[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)NC1CC[NH+](CC1)C[*:1]
Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)c3cscn3)CC2)on1 C1CCN(CC1)[*:1] Cc1cc(on1)-c1cnc(nc1C1CCN(CC1)C(=O)c1cscn1)[*:1]
Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)c3cscn3)CC2)on1 c1nc(cs1)[*:1] Cc1cc(on1)-c1cnc(nc1C1CCN(CC1)C(=O)[*:1])N1CCCCC1
Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)c3cscn3)CC2)on1 Cc1cc(on1)[*:1] O=C(c1cscn1)N1CCC(CC1)c1nc(ncc1[*:1])N1CCCCC1
O=C1C([O-])=C([N+](=O)[O-])/C(=N\c2ccccc2)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=N[*:1])N1c1ccccc1)[N+](=O)[O-]
O=C1C([O-])=C([N+](=O)[O-])/C(=N\c2ccccc2)N1c1ccccc1 O=[N+]([O-])[*:1] O=C1C([O-])=C(/C(=N\c2ccccc2)N1c1ccccc1)[*:1]
O=C1C([O-])=C([N+](=O)[O-])/C(=N\c2ccccc2)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(/C(=N\c2ccccc2)N1[*:1])[N+](=O)[O-]
CC(C)(CNC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)[C@H]1CCCN(C1)C(N)=O)[*:1]
CN1C(=O)NC2(CC[NH+](CC(=O)NCC3CCC3)CC2)C1=O C1CC(C1)C[*:1] CN1C(=O)NC2(CC[NH+](CC2)CC(=O)N[*:1])C1=O
CN1C(=O)NC2(CC[NH+](CC(=O)NCC3CCC3)CC2)C1=O C1CC(C1)[*:1] CN1C(=O)NC2(CC[NH+](CC2)CC(=O)NC[*:1])C1=O
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H](C)NC(=O)c2cccs2)c1 c1csc(c1)[*:1] Cc1ccc(C)c(c1)NC(=S)NNC(=O)[C@H](C)NC(=O)[*:1]
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H](C)NC(=O)c2cccs2)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](NC(=O)c1cccs1)C(=O)NNC(=S)N[*:1]
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H](C)NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 Cc1ccc(C)c(c1)NC(=S)NNC(=O)[C@H](C)[*:1]
C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 C1CCCN(CC1)[*:1] C[C@@H]1CCCN(C1)C(=O)NCc1ccc([nH+]c1)[*:1]
COc1ccc(Nc2ncnc3c2c(C)c(C)n3CCC[NH+](C)C)cc1 COc1ccc(cc1)[*:1] Cc1c(C)n(CCC[NH+](C)C)c2ncnc(N[*:1])c12
O=C(CS(=O)(=O)c1ccccn1)N1CCC(c2ccccc2)=N1 c1ccc(nc1)[*:1] O=C(CS(=O)(=O)[*:1])N1CCC(=N1)c1ccccc1
O=C(CS(=O)(=O)c1ccccn1)N1CCC(c2ccccc2)=N1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1ccccn1)N1CCC(=N1)[*:1]
CCOC(=O)[C@@H](N)[C@H]1CCO[C@]2(CCSC2)C1 CCOC(=O)[*:1] N[C@@H]([C@H]1CCO[C@]2(CCSC2)C1)[*:1]
Cn1cc(C(=O)/C=C/c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)cn1 Cn1cc(cn1)C(=O)[*:1] F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C=C[*:1])cc1
Cn1cc(C(=O)/C=C/c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)cn1 FC(F)(F)[*:1] Cn1cc(cn1)C(=O)/C=C/c1ccc(cc1)OC(F)(F)[C@@H](F)[*:1]
Cn1cc(C(=O)/C=C/c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)cn1 Cn1cc(cn1)[*:1] O=C(/C=C/c1ccc(cc1)OC(F)(F)[C@@H](F)C(F)(F)F)[*:1]
CC(C)n1ncc2cc(CN3CC[NH+](C)CC3(C)C)c(Cl)nc21 CC(C)[*:1] C[NH+]1CCN(Cc2cc3cnn(c3nc2Cl)[*:1])C(C)(C)C1
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[*:1]
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1C(F)(F)F COC(=O)[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])c1ncccc1C(F)(F)F
O=C(C[NH+]1CCN(c2nccs2)CC1)Nc1cc(Cl)ccc1Cl c1csc(n1)[*:1] O=C(C[NH+]1CCN(CC1)[*:1])Nc1cc(Cl)ccc1Cl
CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H](n2cccn2)C1 c1cnn(c1)[*:1] CC[NH2+][C@@]1(CCC[C@@H](C1)[*:1])C(=O)[O-]
CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H](n2cccn2)C1 O=C([O-])[*:1] CC[NH2+][C@@]1(CCC[C@H](C1)n1cccn1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](C)Nc2ncnc3sc(C)c(C)c23)CC1 Cc1noc(C)c1[*:1] Cc1sc2ncnc(N[C@H](C)C(=O)N3CCN(CC3)S(=O)(=O)[*:1])c2c1C
CSc1ccc([C@@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 CSc1ccc(cc1)[*:1] Nc1nc(=O)c2c(NC3=C(C(=O)c4ccccc43)[C@H]2[*:1])[nH]1
Cc1n[nH+]c(N[C@H](C)CCCCl)c2ccccc12 C[C@H](CCCCl)[*:1] Cc1n[nH+]c(N[*:1])c2ccccc12
Cc1n[nH+]c(N[C@H](C)CCCCl)c2ccccc12 ClCCC[*:1] Cc1n[nH+]c(N[C@H](C)[*:1])c2ccccc12
Cc1n[nH+]c(N[C@H](C)CCCCl)c2ccccc12 ClCC[*:1] Cc1n[nH+]c(N[C@H](C)C[*:1])c2ccccc12
Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N1CCO[C@H](C1)c1cccc(F)c1
Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] Fc1cccc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCO[C@@H](C1)[*:1]
Cc1cc(C(=O)OCc2ccc(-n3cccn3)cc2)ncn1 c1cnn(c1)[*:1] Cc1cc(ncn1)C(=O)OCc1ccc(cc1)[*:1]
Cc1cc(C(=O)OCc2ccc(-n3cccn3)cc2)ncn1 Cc1cc(ncn1)[*:1] O=C(OCc1ccc(cc1)-n1cccn1)[*:1]
COc1csc(C(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)c1 COc1csc(c1)[*:1] C[C@@H](NC(=O)[*:1])c1nc(cs1)-c1ccncc1
COc1csc(C(=O)N[C@H](C)c2nc(-c3ccncc3)cs2)c1 c1cc(ccn1)[*:1] COc1csc(c1)C(=O)N[C@H](C)c1nc(cs1)[*:1]
COc1ccccc1[C@@H]1N=[NH+]C(=S)N1/N=C/c1ccccc1C(F)(F)F FC(F)(F)[*:1] COc1ccccc1[C@@H]1N=[NH+]C(=S)N1/N=C/c1ccccc1[*:1]
COc1ccccc1[C@@H]1N=[NH+]C(=S)N1/N=C/c1ccccc1C(F)(F)F COc1ccccc1[*:1] FC(F)(F)c1ccccc1/C=N/N1C(=S)[NH+]=N[C@H]1[*:1]
CC(C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CC(C)[*:1] CC(C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CC(C)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CC(C)[C@@H](CO)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N[*:1]
C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 c1ccc(nc1)S[*:1] C[C@@H](C(=O)Nc1ccc(cc1)-c1cc[nH]n1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(cc1)-c1cc[nH]n1
C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(cc1)[*:1]
CCC1(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCC1 CCC1(CCCC1)[*:1] O=C(c1c[nH]c2cc(ccc12)[N+](=O)[O-])[*:1]
CCC1(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCC1 O=[N+]([O-])[*:1] CCC1(CCCC1)C(=O)c1c[nH]c2cc(ccc12)[*:1]
Cc1ccc(N[C@@H]2c3ncccc3C(=O)N2Cc2cccs2)cc1C c1csc(c1)C[*:1] Cc1ccc(cc1C)N[C@@H]1c2ncccc2C(=O)N1[*:1]
Cc1ccc(N[C@@H]2c3ncccc3C(=O)N2Cc2cccs2)cc1C Cc1ccc(cc1C)[*:1] O=C1c2cccnc2[C@@H](N[*:1])N1Cc1cccs1
Cc1ccc(N[C@@H]2c3ncccc3C(=O)N2Cc2cccs2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)N[C@@H]1c2ncccc2C(=O)N1C[*:1]
COc1ccc(CNC(=O)[C@H](C#N)C(=O)CC2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)CNC(=O)[C@H](C#N)C(=O)C[*:1]
COc1ccc(CNC(=O)[C@H](C#N)C(=O)CC2CCCC2)cc1 C1CCC(C1)C[*:1] COc1ccc(cc1)CNC(=O)[C@H](C#N)C(=O)[*:1]
COCc1ccc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)o1 COCc1ccc(o1)[*:1] O=C(N1CCC(CC1)CNC(=O)[*:1])C(F)(F)F
COCc1ccc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)o1 COC[*:1] O=C(NCC1CCN(CC1)C(=O)C(F)(F)F)c1ccc(o1)[*:1]
COCc1ccc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)o1 FC(F)(F)[*:1] COCc1ccc(o1)C(=O)NCC1CCN(CC1)C(=O)[*:1]
Cc1cccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
COC(=O)c1sc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1sc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c(c1C)[*:1]
COC(=O)c1sc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1c(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc(c1C)[*:1]
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 CCOC(=O)[*:1] O=C1N=C(N[C@H](c2cccc(c2)[N+](=O)[O-])[C@@H]1[*:1])N1CCN(CC1)c1ccccc1F
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 Fc1ccccc1[*:1] CCOC(=O)[C@@H]1C(=O)N=C(N[C@@H]1c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CCOC(=O)[C@@H]1C(=O)N=C(N[C@H]1[*:1])N1CCN(CC1)c1ccccc1F
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)[C@@H]1C(=O)N=C(N[C@@H]1c1cccc(c1)[*:1])N1CCN(CC1)c1ccccc1F
O=S(=O)([N-]c1ccc2c(c1)OCO2)c1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] O=S(=O)([N-]c1ccc2OCOc2c1)c1cnn(c1)[*:1]
C[C@@H]1CCSC[C@H](C2(C)CC2)[NH2+]1 CC1(CC1)[*:1] C[C@@H]1CCSC[C@H]([NH2+]1)[*:1]
C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)N[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 Clc1cc(Br)ccc1[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CC(C)[NH+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)C1CCCC1 C1CC1[*:1] CC(C)[NH+](CC(=O)Nc1cccc(c1)C(=O)N[*:1])C1CCCC1
CC(C)[NH+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)C1CCCC1 O=C(NC1CC1)[*:1] CC(C)[NH+](CC(=O)Nc1cccc(c1)[*:1])C1CCCC1
CC(C)[NH+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)C1CCCC1 CC(C)[*:1] O=C(C[NH+](C1CCCC1)[*:1])Nc1cccc(c1)C(=O)NC1CC1
CC(=O)Nc1ccc(F)c(NCC(=O)N(Cc2ccccc2)C(C)C)c1 CC(=O)N[*:1] CC(C)N(Cc1ccccc1)C(=O)CNc1cc(ccc1F)[*:1]
CC(=O)Nc1ccc(F)c(NCC(=O)N(Cc2ccccc2)C(C)C)c1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(F)c(c1)NCC(=O)N(C(C)C)[*:1]
CC(=O)Nc1ccc(F)c(NCC(=O)N(Cc2ccccc2)C(C)C)c1 CC(C)[*:1] CC(=O)Nc1ccc(F)c(c1)NCC(=O)N(Cc1ccccc1)[*:1]
CC(=O)Nc1ccc(F)c(NCC(=O)N(Cc2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(F)c(c1)NCC(=O)N(C[*:1])C(C)C
O=C(/C=C/c1cc(Cl)cc(Cl)c1)NC[C@H](O)c1ccncc1 c1cc(ccn1)[*:1] O=C(/C=C/c1cc(Cl)cc(Cl)c1)NC[C@H](O)[*:1]
O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NCCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NCCC[*:1]
O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NCCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NC[*:1]
O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NCC[*:1]
O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NCCCN1CCOCC1 C(CN1CCOCC1)C[*:1] O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)N[*:1]
C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c2ccccc21 c1coc(c1)[*:1] C[C@@H]1CN(C(=O)NC[C@@H]([NH+](C)C)[*:1])c2ccccc21
NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21 NC(=O)[*:1] O=c1c2sccc2n(C[*:1])c(=O)n1CCc1ccccc1
NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21 c1ccc(cc1)[*:1] NC(=O)Cn1c(=O)n(CC[*:1])c(=O)c2sccc21
NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21 NC(=O)C[*:1] O=c1c2sccc2n(c(=O)n1CCc1ccccc1)[*:1]
NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21 c1ccc(cc1)C[*:1] NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
O=C(Nc1ccnc2cc(Cl)ccc12)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nc1ccnc2cc(Cl)ccc12)[*:1]
CC(C)(C)c1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)[*:1])C1C=CC2=NS(=O)(=O)CCN2C=1
Cc1ccccc1COC1CCN(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CC1 Cc1ccccc1C[*:1] NC(=O)[C@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CC1 Cc1ccccc1CO[*:1] NC(=O)[C@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)[*:1]
Cc1ccccc1COC1CCN(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CC1 NC(=O)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
Cc1ccccc1COC1CCN(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CC1 Cc1ccccc1[*:1] NC(=O)[C@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)OC[*:1]
COc1cc(CNC(=O)C2CN(C(=O)c3cnccn3)C2)cc(OC)c1OC c1cnc(cn1)[*:1] COc1cc(cc(OC)c1OC)CNC(=O)C1CN(C1)C(=O)[*:1]
O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(C[C@@H]1CSc2nc3CCCc3c(=O)n21)N[*:1]
CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 CCN(CC)C(=O)[*:1] COc1ccc(cc1Cl)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccc(Sc2ccc(N)c(OC(C)C)n2)cc1C CC(C)O[*:1] Cc1ccc(cc1C)Sc1ccc(N)c(n1)[*:1]
Cc1ccc(Sc2ccc(N)c(OC(C)C)n2)cc1C CC(C)[*:1] Cc1ccc(cc1C)Sc1ccc(N)c(n1)O[*:1]
CC(C)Cn1ccnc(NCC[S@](C)=O)c1=O CC(C)C[*:1] C[S@](=O)CCNc1nccn(c1=O)[*:1]
CC(C)Cn1ccnc(NCC[S@](C)=O)c1=O CC(C)[*:1] C[S@](=O)CCNc1nccn(C[*:1])c1=O
COc1ccc2nc(N3CC(C(=O)Nc4cccc(C(F)(F)F)c4)C3)sc2c1 FC(F)(F)[*:1] COc1ccc2nc(sc2c1)N1CC(C1)C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1c(S(=O)(=O)Nc2ccc3c(c2)CCC3)sc2c1CCN(C(=O)[C@@H]1CCCO1)C2 c1cc2CCCc2cc1[*:1] COC(=O)c1c(sc2CN(CCc21)C(=O)[C@@H]1CCCO1)S(=O)(=O)N[*:1]
COC(=O)c1c(S(=O)(=O)Nc2ccc3c(c2)CCC3)sc2c1CCN(C(=O)[C@@H]1CCCO1)C2 COC(=O)[*:1] O=C([C@@H]1CCCO1)N1CCc2c(C1)sc(c2[*:1])S(=O)(=O)Nc1ccc2CCCc2c1
COc1c[nH]c(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1=O Fc1ccc(cc1)[*:1] COc1c[nH]c(cc1=O)C(=O)N1CCO[C@@H](C1)[*:1]
CC1(C)Cc2c(sc(NC(=O)CC(=O)NCc3ccccc3)c2C#N)CO1 c1ccc(cc1)[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)CC(=O)NC[*:1])c2C#N
CC1(C)Cc2c(sc(NC(=O)CC(=O)NCc3ccccc3)c2C#N)CO1 c1ccc(cc1)C[*:1] CC1(C)Cc2c(CO1)sc(NC(=O)CC(=O)N[*:1])c2C#N
CC[C@H](C)NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 C1CCC(C1)[*:1] CC[C@H](C)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC[C@H](C)NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 CC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)C1CCCC1
CC[C@H](OC1CCCC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] CC[C@H](O[*:1])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1
CC[C@H](OC1CCCC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)O[*:1] CC[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[*:1]
COC(=O)C1(NC(=O)[C@H](C)Sc2ccccc2)CCCCC1 c1ccc(cc1)[*:1] COC(=O)C1(CCCCC1)NC(=O)[C@H](C)S[*:1]
COC(=O)C1(NC(=O)[C@H](C)Sc2ccccc2)CCCCC1 COC(=O)[*:1] C[C@H](Sc1ccccc1)C(=O)NC1(CCCCC1)[*:1]
COC(=O)C1(NC(=O)[C@H](C)Sc2ccccc2)CCCCC1 c1ccc(cc1)S[*:1] COC(=O)C1(CCCCC1)NC(=O)[C@H](C)[*:1]
C[C@H]1COC[C@@H](C)N1C(=O)c1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] C[C@H]1COC[C@@H](C)N1C(=O)c1ccc(nc1)[*:1]
O=C(c1ccc[nH]c1=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 O=c1[nH]cccc1[*:1] O=C(N1CCC(CC1)c1nc(n[nH]1)-c1ccccc1)[*:1]
O=C(c1ccc[nH]c1=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc[nH]c1=O)N1CCC(CC1)c1nc(n[nH]1)[*:1]
Cc1nn(C)c2ncc(NC(=O)CCOC3CCOCC3)cc12 C1CC(CCO1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)CCO[*:1]
Cc1nn(C)c2ncc(NC(=O)CCOC3CCOCC3)cc12 C1CC(CCO1)O[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)CC[*:1]
COCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OC)cc1 Clc1ccc(cc1)[*:1] COCCN1C(=O)c2[nH]nc(c2[C@H]1c1ccc(cc1)OC)[*:1]
COCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OC)cc1 COCC[*:1] COc1ccc(cc1)[C@@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccc(Cl)cc1
COCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1[*:1]
COCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)[C@@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1ccc(Cl)cc1
NC(=O)[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] NC(=O)[C@H]1CCCCN1C(=O)c1nn(c(=O)c2ccccc12)[*:1]
NC(=O)[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 NC(=O)[*:1] O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCCC[C@@H]1[*:1]
CC(C)[NH+](CCNC(=O)C(=O)Nc1ccccc1Br)C(C)C Brc1ccccc1[*:1] CC(C)[NH+](CCNC(=O)C(=O)N[*:1])C(C)C
CC(C)[NH+](CCNC(=O)C(=O)Nc1ccccc1Br)C(C)C CC(C)[*:1] CC(C)[NH+](CCNC(=O)C(=O)Nc1ccccc1Br)[*:1]
COc1cc(OC)cc(C(=O)N/N=C(\C)c2ccc(N3CCCCC3)cc2)c1 C1CCN(CC1)[*:1] COc1cc(cc(c1)C(=O)N/N=C(\C)c1ccc(cc1)[*:1])OC
COc1ccc(-c2nc(CNC(=O)c3ccc(F)c(F)c3)no2)cc1 Fc1ccc(cc1F)[*:1] COc1ccc(cc1)-c1nc(CNC(=O)[*:1])no1
COc1ccc(-c2nc(CNC(=O)c3ccc(F)c(F)c3)no2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1noc(n1)[*:1])c1ccc(F)c(F)c1
COCCn1cc[nH+]c1[C@H]1CCCN(c2cccc(C#N)n2)C1 COCC[*:1] N#Cc1cccc(n1)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
COCCn1cc[nH+]c1[C@H]1CCCN(c2cccc(C#N)n2)C1 COC[*:1] N#Cc1cccc(n1)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
CC(C)[C@H](CCO)NC(=O)N[C@@H]1CCOc2c(Cl)cccc21 OCC[*:1] CC(C)[C@H](NC(=O)N[C@@H]1CCOc2c(Cl)cccc21)[*:1]
CC(C)[C@H](CCO)NC(=O)N[C@@H]1CCOc2c(Cl)cccc21 CC(C)[C@H](CCO)[*:1] O=C(N[C@@H]1CCOc2c(Cl)cccc21)N[*:1]
CC(C)[C@H](CCO)NC(=O)N[C@@H]1CCOc2c(Cl)cccc21 CC(C)[*:1] O=C(N[C@@H](CCO)[*:1])N[C@@H]1CCOc2c(Cl)cccc21
O=C(Cc1cccc2cccnc12)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cccc2cccnc12)Nc1ccccc1[*:1]
CC(C)C[C@H]1CCCCCN1C(=O)Nc1cc(S(C)(=O)=O)ccc1F CC(C)[*:1] CS(=O)(=O)c1ccc(F)c(c1)NC(=O)N1CCCCC[C@@H]1C[*:1]
CC(C)C[C@H]1CCCCCN1C(=O)Nc1cc(S(C)(=O)=O)ccc1F CS(=O)(=O)[*:1] CC(C)C[C@H]1CCCCCN1C(=O)Nc1cc(ccc1F)[*:1]
CC(C)C[C@H]1CCCCCN1C(=O)Nc1cc(S(C)(=O)=O)ccc1F CC(C)C[*:1] CS(=O)(=O)c1ccc(F)c(c1)NC(=O)N1CCCCC[C@@H]1[*:1]
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H](C)O[C@@H](C)C1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)[C@H](NC(=O)OCc1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H](C)O[C@@H](C)C1 c1ccc(cc1)C[*:1] CC(C)[C@@H](NC(=O)O[*:1])C(=O)N1C[C@H](C)O[C@@H](C)C1
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H](C)O[C@@H](C)C1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)OC[*:1])C(=O)N1C[C@H](C)O[C@@H](C)C1
Cc1ccsc1CNC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 Cc1ccsc1C[*:1] O=C(N[*:1])N(Cc1cccs1)C[C@@H]1CCCO1
Cc1ccsc1CNC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1ccsc1CNC(=O)N(Cc1cccs1)[*:1]
Cc1ccsc1CNC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ccsc1CNC(=O)N(Cc1cccs1)C[*:1]
Cc1ccsc1CNC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 Cc1ccsc1[*:1] O=C(NC[*:1])N(Cc1cccs1)C[C@@H]1CCCO1
Cc1ccsc1CNC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)C[*:1] Cc1ccsc1CNC(=O)N(C[C@@H]1CCCO1)[*:1]
Cc1ccsc1CNC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)[*:1] Cc1ccsc1CNC(=O)N(C[C@@H]1CCCO1)C[*:1]
C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 Fc1ccccc1[*:1] C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(CC1)[*:1])c1ccccc1
C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(CC1)c1ccccc1F)[*:1]
C[C@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)c1ccccc1F
CC[NH2+]CC(C)(C)CO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C CC(C)[*:1] CC[NH2+]CC(C)(C)CO[C@H]1C[C@@H](C)CC[C@H]1[*:1]
CC1=C(C(=O)COC(=O)c2[nH]nc3ccccc23)C[C@@H](C)N1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CC1=C(C[C@@H](C)N1[*:1])C(=O)COC(=O)c1[nH]nc2ccccc12
CC1=C(C(=O)COC(=O)c2[nH]nc3ccccc23)C[C@@H](C)N1c1ccc2c(c1)OCO2 c1ccc2c([nH]nc2c1)[*:1] CC1=C(C[C@@H](C)N1c1ccc2OCOc2c1)C(=O)COC(=O)[*:1]
C[C@H](CNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)c1nc2ccccc2n1C(F)F c1cc2OCCOc2cc1[*:1] C[C@H](CNC(=O)c1cccnc1S[*:1])c1nc2ccccc2n1C(F)F
C[C@H](CNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)c1nc2ccccc2n1C(F)F c1cc2OCCOc2cc1S[*:1] C[C@H](CNC(=O)c1cccnc1[*:1])c1nc2ccccc2n1C(F)F
C[C@H](CNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@H](CNC(=O)c1cccnc1Sc1ccc2OCCOc2c1)c1nc2ccccc2n1[*:1]
CCCOc1cccc(C(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)c1 CCC[*:1] O=C(c1cccc(c1)O[*:1])N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1
CCCOc1cccc(C(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)c1 Fc1cccc(Cl)c1[*:1] CCCOc1cccc(c1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCOc1cccc(C(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)c1 Fc1cccc(Cl)c1C[*:1] CCCOc1cccc(c1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCOc1cccc(C(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)c1 CCCO[*:1] O=C(c1cccc(c1)[*:1])N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1
CCc1nn(C)cc1CNC(=O)[C@@H](C)OCC(F)(F)F FC(F)(F)CO[*:1] CCc1nn(C)cc1CNC(=O)[C@@H](C)[*:1]
CCc1nn(C)cc1CNC(=O)[C@@H](C)OCC(F)(F)F FC(F)(F)C[*:1] CCc1nn(C)cc1CNC(=O)[C@@H](C)O[*:1]
CCc1nn(C)cc1CNC(=O)[C@@H](C)OCC(F)(F)F FC(F)(F)[*:1] CCc1nn(C)cc1CNC(=O)[C@@H](C)OC[*:1]
CC(=O)c1ccc2cc(OCC(=O)N[C@@H](C)C3CC3)ccc2c1 CC(=O)[*:1] C[C@H](NC(=O)COc1ccc2cc(ccc2c1)[*:1])C1CC1
CC(=O)c1ccc2cc(OCC(=O)N[C@@H](C)C3CC3)ccc2c1 C1CC1[*:1] CC(=O)c1ccc2cc(ccc2c1)OCC(=O)N[C@@H](C)[*:1]
C[C@@H](C#N)Oc1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] C[C@@H](C#N)Oc1ccc(cc1)CN1CCn2c(C1)nnc2[*:1]
CCCN(C(=O)C([NH3+])(CC)CC)C(C)C CCC[*:1] CCC([NH3+])(CC)C(=O)N(C(C)C)[*:1]
CCCN(C(=O)C([NH3+])(CC)CC)C(C)C CC(C)[*:1] CCCN(C(=O)C([NH3+])(CC)CC)[*:1]
CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 CC(C)[*:1] C[C@H](C(=O)Nc1ccccc1[*:1])[NH+]1CCN(CC1)c1ccccc1Cl
CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(CC1)[*:1]
CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 CC(C)c1ccccc1[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)c1ccccc1Cl
CCOc1ccc(NC(=S)N2CCS[C@H]2c2c(F)cc(F)cc2F)cc1 CCO[*:1] Fc1cc(F)c(c(F)c1)[C@@H]1SCCN1C(=S)Nc1ccc(cc1)[*:1]
CN(CC(N)=O)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] O=C([O-])[*:1] CN(CC(N)=O)c1ccc(cc1[*:1])S(N)(=O)=O
CN(CC(N)=O)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] NS(=O)(=O)[*:1] CN(CC(N)=O)c1ccc(cc1C(=O)[O-])[*:1]
CN(CC(N)=O)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] NC(=O)[*:1] CN(C[*:1])c1ccc(cc1C(=O)[O-])S(N)(=O)=O
CN(CC(N)=O)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] CN(CC(N)=O)[*:1] NS(=O)(=O)c1ccc(c(c1)C(=O)[O-])[*:1]
CN(CC(N)=O)c1ccc(S(N)(=O)=O)cc1C(=O)[O-] NC(=O)C[*:1] CN(c1ccc(cc1C(=O)[O-])S(N)(=O)=O)[*:1]
CCc1ccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2CC[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@H]1[*:1]
CCc1ccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2CC[NH+](C)C)cc1 O=C(c1ccncc1)[*:1] CCc1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1CC[NH+](C)C)[*:1]
CCc1ccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2CC[NH+](C)C)cc1 c1cc(ccn1)[*:1] CCc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CC[NH+](C)C
CC[NH+]1CCCN(Cc2cc3cc(-c4ccccc4OC)ccc3o2)CC1 COc1ccccc1[*:1] CC[NH+]1CCCN(CC1)Cc1cc2cc(ccc2o1)[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NC2CCCCC2)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)O[C@@H](C)C(=O)NC1CCCCC1
COc1ccccc1NC(=O)[C@H]1C[C@@H](C(C)C)OC1=O CC(C)[*:1] COc1ccccc1NC(=O)[C@H]1C[C@@H](OC1=O)[*:1]
COC(=O)CC1CCN(C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)CC1 COC(=O)C[*:1] Cc1ccccc1-c1cc(C(=O)N2CCC(CC2)[*:1])c2cnn(c2n1)C(C)C
COC(=O)CC1CCN(C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)CC1 CC(C)[*:1] COC(=O)CC1CCN(CC1)C(=O)c1cc(nc2c1cnn2[*:1])-c1ccccc1C
COC(=O)CC1CCN(C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)CC1 Cc1ccccc1[*:1] COC(=O)CC1CCN(CC1)C(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
COC(=O)CC1CCN(C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)CC1 COC(=O)[*:1] Cc1ccccc1-c1cc(C(=O)N2CCC(CC2)C[*:1])c2cnn(c2n1)C(C)C
CC[C@@H](C)NC(=O)N(C)CCCc1ccccc1 CC[C@@H](C)[*:1] CN(CCCc1ccccc1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)N(C)CCCc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)N(C)CCC[*:1]
COc1coc(C(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cc1=O COc1coc(cc1=O)[*:1] O=C(N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)[*:1]
COc1coc(C(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cc1=O c1ccc2[nH]c(nc2c1)[*:1] COc1coc(cc1=O)C(=O)N1CCC[C@@H](C1)C[*:1]
CC(C)(C)OC(=O)Cc1ccc([N+](=O)[O-])cn1 CC(C)(C)[*:1] O=C(Cc1ccc(cn1)[N+](=O)[O-])O[*:1]
CC(C)(C)OC(=O)Cc1ccc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)Cc1ccc(cn1)[*:1]
O=C(COc1ccccc1F)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 Fc1ccccc1O[*:1] O=C(C[*:1])N1CCC(CC1)c1nc(cc(=O)[nH]1)-c1nccs1
O=C(COc1ccccc1F)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 Fc1ccccc1[*:1] O=C(CO[*:1])N1CCC(CC1)c1nc(cc(=O)[nH]1)-c1nccs1
O=C(COc1ccccc1F)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 Fc1ccccc1OC[*:1] O=C(N1CCC(CC1)c1nc(cc(=O)[nH]1)-c1nccs1)[*:1]
O=C(COc1ccccc1F)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 c1csc(n1)[*:1] O=C(COc1ccccc1F)N1CCC(CC1)c1nc(cc(=O)[nH]1)[*:1]
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(n1-c1ccc(F)cc1)[*:1])NNC(=O)c1ccccc1
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)NNC(=O)[*:1]
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)NNC(=O)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2)n1[*:1])NNC(=O)c1ccccc1
CCOc1ccccc1C(=O)Nc1ccc(Br)cc1F CCO[*:1] O=C(Nc1ccc(Br)cc1F)c1ccccc1[*:1]
Cc1cccn2cc(CSc3nnc(COc4ccc(F)cc4)n3N)nc12 Fc1ccc(cc1)OC[*:1] Cc1cccn2cc(CSc3nnc(n3N)[*:1])nc12
Cc1cccn2cc(CSc3nnc(COc4ccc(F)cc4)n3N)nc12 Fc1ccc(cc1)O[*:1] Cc1cccn2cc(CSc3nnc(C[*:1])n3N)nc12
Cc1cccn2cc(CSc3nnc(COc4ccc(F)cc4)n3N)nc12 Fc1ccc(cc1)[*:1] Cc1cccn2cc(CSc3nnc(CO[*:1])n3N)nc12
O=C([C@H]1C=C(c2ccccc2)N=N1)N1CCN(CCOc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)O[*:1] O=C([C@H]1C=C(N=N1)c1ccccc1)N1CCN(CC1)CC[*:1]
O=C([C@H]1C=C(c2ccccc2)N=N1)N1CCN(CCOc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)OC[*:1] O=C([C@H]1C=C(N=N1)c1ccccc1)N1CCN(CC1)C[*:1]
O=C([C@H]1C=C(c2ccccc2)N=N1)N1CCN(CCOc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C([C@H]1C=C(N=N1)c1ccccc1)N1CCN(CCO[*:1])CC1
O=C([C@H]1C=C(c2ccccc2)N=N1)N1CCN(CCOc2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] O=C([C@H]1C=C(N=N1)[*:1])N1CCN(CCOc2ccc(Cl)cc2)CC1
Cc1ccccc1N1C[C@H](C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)CC1=O Cc1ccccc1[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccccc1NC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1 COc1ccccc1[*:1] O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1)N[*:1]
COc1ccccc1NC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)N[*:1]
O=C(NC[C@H](O)c1cccs1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 c1csc(c1)[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1cc2CCCN3C(=O)CCc(c1)c23
C/C(=N\NC(N)=O)[C@@]1(C)C[C@]2(CC(C)(C)OC2=O)C(=O)O1 CC(=NNC(N)=O)[*:1] CC1(C)C[C@]2(C[C@](C)(OC2=O)[*:1])C(=O)O1
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1c[nH]nc1-c1ccc(F)cc1 N#C[C@@H](c1ccccc1)[*:1] Fc1ccc(cc1)-c1n[nH]cc1CN1CCC[C@@H]1[*:1]
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1c[nH]nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1c[nH]nc1[*:1]
N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1c[nH]nc1-c1ccc(F)cc1 c1ccc(cc1)[*:1] N#C[C@@H]([C@H]1CCCN1Cc1c[nH]nc1-c1ccc(F)cc1)[*:1]
Cc1cc(C)nc(Sc2ccc(NC(=O)CN3CCCCCCC3=O)cc2)n1 Cc1cc(C)nc(n1)[*:1] O=C(CN1CCCCCCC1=O)Nc1ccc(cc1)S[*:1]
Cc1cc(C)nc(Sc2ccc(NC(=O)CN3CCCCCCC3=O)cc2)n1 O=C1CCCCCCN1[*:1] Cc1cc(C)nc(n1)Sc1ccc(cc1)NC(=O)C[*:1]
Cc1cc(C)nc(Sc2ccc(NC(=O)CN3CCCCCCC3=O)cc2)n1 Cc1cc(C)nc(n1)S[*:1] O=C(CN1CCCCCCC1=O)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)NCC2CCCCC2)cc1N C1CCC(CC1)[*:1] Cc1ccc(cc1N)S(=O)(=O)NC[*:1]
CCSc1nnc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)n1C CCS[*:1] C[C@@H](NC(=O)c1ccc(cc1)-c1ccccc1)c1nnc(n1C)[*:1]
CCSc1nnc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)n1C c1ccc(cc1)[*:1] CCSc1nnc([C@@H](C)NC(=O)c2ccc(cc2)[*:1])n1C
COC(=O)[C@@](C)(c1ccc(F)c(Br)c1)N(C)C CN(C)[*:1] COC(=O)[C@@](C)(c1ccc(F)c(Br)c1)[*:1]
COC(=O)[C@@](C)(c1ccc(F)c(Br)c1)N(C)C COC(=O)[*:1] CN(C)[C@@](C)(c1ccc(F)c(Br)c1)[*:1]
CCCN(CCC)C(=O)c1cc(-c2ccccn2)nc2ccccc12 c1ccc(nc1)[*:1] CCCN(CCC)C(=O)c1cc(nc2ccccc12)[*:1]
CCCN(CCC)C(=O)c1cc(-c2ccccn2)nc2ccccc12 CCC[*:1] CCCN(C(=O)c1cc(nc2ccccc12)-c1ccccn1)[*:1]
CCCS(=O)(=O)c1ccc(N(C)C2CCC([NH3+])CC2)cc1 CCC[*:1] CN(c1ccc(cc1)S(=O)(=O)[*:1])C1CCC([NH3+])CC1
CCCS(=O)(=O)c1ccc(N(C)C2CCC([NH3+])CC2)cc1 CCCS(=O)(=O)[*:1] CN(c1ccc(cc1)[*:1])C1CCC([NH3+])CC1
COc1cc(-c2cnc(N3CCC[C@@H](O)C3)nc2-c2cccs2)nc(OC)n1 c1csc(c1)[*:1] COc1cc(nc(n1)OC)-c1cnc(nc1[*:1])N1CCC[C@@H](O)C1
COc1cc(-c2cnc(N3CCC[C@@H](O)C3)nc2-c2cccs2)nc(OC)n1 O[C@@H]1CCCN(C1)[*:1] COc1cc(nc(n1)OC)-c1cnc(nc1-c1cccs1)[*:1]
O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@H]1CCCNC1=O Clc1ccccc1[*:1] O=C(Cc1csc(n1)[*:1])N[C@H]1CCCNC1=O
O=C(CSc1cccc(F)c1)N1CCC2(CC1)OCCO2 Fc1cccc(c1)[*:1] O=C(CS[*:1])N1CCC2(CC1)OCCO2
COCCn1c(SCc2ncc(C(C)(C)C)o2)nc2ccccc21 COCC[*:1] CC(C)(C)c1cnc(CSc2nc3ccccc3n2[*:1])o1
COCCn1c(SCc2ncc(C(C)(C)C)o2)nc2ccccc21 COC[*:1] CC(C)(C)c1cnc(CSc2nc3ccccc3n2C[*:1])o1
COCCn1c(SCc2ncc(C(C)(C)C)o2)nc2ccccc21 CC(C)(C)[*:1] COCCn1c(nc2ccccc21)SCc1ncc(o1)[*:1]
CCc1ncc(C(=O)NCCC(=O)N2CCN(C(=O)c3cnc(CC)s3)CC2)s1 CCc1ncc(s1)[*:1] CCc1ncc(s1)C(=O)N1CCN(CC1)C(=O)CCNC(=O)[*:1]
CCc1ncc(C(=O)NCCC(=O)N2CCN(C(=O)c3cnc(CC)s3)CC2)s1 CCc1ncc(s1)[*:1] CCc1ncc(s1)C(=O)NCCC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])COCC2CC2)c(Br)c1 C1CC1CO[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)/N=C(\[O-])C[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])COCC2CC2)c(Br)c1 C1CC1C[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)/N=C(\[O-])CO[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])COCC2CC2)c(Br)c1 C1CC1[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)/N=C(\[O-])COC[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])COCC2CC2)c(Br)c1 C1CC1COC[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)/N=C(\[O-])[*:1]
CC(=O)[C@@H](C)OC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 CC(=O)[*:1] C[C@@H](OC(=O)c1cc(nn1-c1ccccc1)-c1ccccc1)[*:1]
CC(=O)[C@@H](C)OC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)[C@@H](C)OC(=O)c1cc(nn1[*:1])-c1ccccc1
CC(=O)[C@@H](C)OC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)[C@@H](C)OC(=O)c1cc(nn1-c1ccccc1)[*:1]
CN(C1CC1)S(=O)(=O)c1ccccc1N C1CC1[*:1] CN(S(=O)(=O)c1ccccc1N)[*:1]
CCC[NH2+][C@@H](C1CCCCC1)[C@H]1CSCCS1 CCC[*:1] C1CCC(CC1)[C@H]([NH2+][*:1])[C@H]1CSCCS1
CC(C)N(C)C(=O)NCC1(c2ccccc2F)CC1 CC(C)[*:1] CN(C(=O)NCC1(CC1)c1ccccc1F)[*:1]
O=S(=O)(NCCNc1ncccn1)c1ccc(Cl)s1 c1cnc(nc1)[*:1] O=S(=O)(NCCN[*:1])c1ccc(Cl)s1
O=S(=O)(NCCNc1ncccn1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=S(=O)(NCCNc1ncccn1)[*:1]
CC(C)(C)OC(=O)Nc1ccc2ccccc2c1 CC(C)(C)[*:1] O=C(Nc1ccc2ccccc2c1)O[*:1]
CC(=O)Nc1cccc(NC(=O)c2ccncc2Cl)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccncc1Cl
CC(=O)Nc1cccc(NC(=O)c2ccncc2Cl)c1C Clc1cnccc1[*:1] CC(=O)Nc1cccc(NC(=O)[*:1])c1C
CC[C@H]1C(=O)NCCN1C(=O)c1cc(-c2ccnn2C)nc2ccccc12 Cn1nccc1[*:1] CC[C@H]1C(=O)NCCN1C(=O)c1cc(nc2ccccc12)[*:1]
Cc1c(C[NH2+]C[C@@H](CC(C)C)N2CCOCC2)cnn1C CC(C)C[*:1] Cc1c(cnn1C)C[NH2+]C[C@@H](N1CCOCC1)[*:1]
Cc1c(C[NH2+]C[C@@H](CC(C)C)N2CCOCC2)cnn1C C1CN(CCO1)[*:1] Cc1c(cnn1C)C[NH2+]C[C@@H](CC(C)C)[*:1]
Cc1c(C[NH2+]C[C@@H](CC(C)C)N2CCOCC2)cnn1C Cc1c(cnn1C)[*:1] CC(C)C[C@H](C[NH2+]C[*:1])N1CCOCC1
Cc1c(C[NH2+]C[C@@H](CC(C)C)N2CCOCC2)cnn1C CC(C)[*:1] Cc1c(cnn1C)C[NH2+]C[C@@H](C[*:1])N1CCOCC1
CN(C(=O)/C=C/c1ccnc(Cl)c1)c1cccc2ncccc12 Clc1cc(ccn1)[*:1] CN(C(=O)C=C[*:1])c1cccc2ncccc12
CC(C)(O)CC[NH+](Cc1cccc(N)c1)C1CC1 CC(C)(O)C[*:1] Nc1cccc(c1)C[NH+](C[*:1])C1CC1
CC(C)(O)CC[NH+](Cc1cccc(N)c1)C1CC1 C1CC1[*:1] CC(C)(O)CC[NH+](Cc1cccc(N)c1)[*:1]
CC(C)(O)CC[NH+](Cc1cccc(N)c1)C1CC1 CC(C)(O)CC[*:1] Nc1cccc(c1)C[NH+](C1CC1)[*:1]
CC(C)(O)CC[NH+](Cc1cccc(N)c1)C1CC1 CC(C)(O)[*:1] Nc1cccc(c1)C[NH+](CC[*:1])C1CC1
Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)n1 Cc1cccc(n1)[*:1] CC(C)c1cccc(c1)N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)n1 CC(C)[*:1] Cc1cccc(n1)NC(=O)[C@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
COC[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])c1cc(F)cc(F)c1
CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl C1CO[C@@H](C1)[*:1] CS(=O)(=O)N(CC(=O)NC[*:1])c1ccc(Cl)cc1Cl
CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl C1CO[C@@H](C1)C[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccc(Cl)cc1Cl
O=C(c1ccc(Cl)cc1)N1CCC([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 Clc1ccc(cc1)[*:1] O=C(N1CCC(CC1)[NH2+][C@H]1CCC[C@H](C1)C1CC1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCC([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 C1CC1[*:1] O=C(c1ccc(Cl)cc1)N1CCC(CC1)[NH2+][C@H]1CCC[C@@H](C1)[*:1]
C[C@@H](OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](OC(=O)CCc1ncc(o1)-c1ccc(F)cc1F)[*:1]
C[C@@H](OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccn1 Fc1ccc(c(F)c1)[*:1] C[C@@H](OC(=O)CCc1ncc(o1)[*:1])c1ccccn1
COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@H](C)[S@](C)=O C[S@](=O)[*:1] COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@H](C)[*:1]
CSc1ccc(CN(C)C(=O)c2ccc(NC(=O)C3CC3)s2)cc1 C1CC1[*:1] CSc1ccc(cc1)CN(C)C(=O)c1ccc(NC(=O)[*:1])s1
CSc1ccc(CN(C)C(=O)c2ccc(NC(=O)C3CC3)s2)cc1 CSc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc(NC(=O)C2CC2)s1
CSc1ccc(CN(C)C(=O)c2ccc(NC(=O)C3CC3)s2)cc1 O=C(N[*:1])C1CC1 CSc1ccc(cc1)CN(C)C(=O)c1ccc(s1)[*:1]
Cc1cc(F)cc(S(=O)(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1 Cc1cc(F)cc(c1)[*:1] CC(C)(CNS(=O)(=O)[*:1])NC(=O)OC(C)(C)C
Cc1cc(F)cc(S(=O)(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1 CC(C)(C)OC(=O)N[*:1] Cc1cc(F)cc(c1)S(=O)(=O)NCC(C)(C)[*:1]
Cc1cc(F)cc(S(=O)(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cc(F)cc(c1)S(=O)(=O)NCC(C)(C)NC(=O)O[*:1]
CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cc(Cl)ccc1Cl CCC[*:1] Cc1ccc(C[C@@H]([NH2+][*:1])c2cc(Cl)ccc2Cl)nc1
CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cc(Cl)ccc1Cl Cc1ccc(nc1)[*:1] CCC[NH2+][C@H](C[*:1])c1cc(Cl)ccc1Cl
Cc1cc(CC(=O)NCCOc2c(C)cccc2C)no1 Cc1cc(C[*:1])no1 Cc1cccc(C)c1OCCNC(=O)[*:1]
Cc1cc(CC(=O)NCCOc2c(C)cccc2C)no1 Cc1cc(no1)[*:1] Cc1cccc(C)c1OCCNC(=O)C[*:1]
Cc1ccc(CNC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)cc1 NC(=O)[*:1] Cc1ccc(cc1)CNC(=O)Nc1ccc(cc1)-n1ccc(n1)[*:1]
Cc1ccc(CNC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)cc1 Cc1ccc(cc1)C[*:1] NC(=O)c1ccn(n1)-c1ccc(cc1)NC(=O)N[*:1]
Cc1ccc(CNC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)cc1 NC(=O)c1ccn(n1)[*:1] Cc1ccc(cc1)CNC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1ccn(n1)-c1ccc(cc1)NC(=O)NC[*:1]
COC(=O)Cc1cccc(NC(=O)NNc2ncccc2Cl)c1 COC(=O)C[*:1] O=C(NNc1ncccc1Cl)Nc1cccc(c1)[*:1]
COC(=O)Cc1cccc(NC(=O)NNc2ncccc2Cl)c1 COC(=O)[*:1] O=C(NNc1ncccc1Cl)Nc1cccc(c1)C[*:1]
COC(=O)Cc1cccc(NC(=O)NNc2ncccc2Cl)c1 Clc1cccnc1[*:1] COC(=O)Cc1cccc(c1)NC(=O)NN[*:1]
COC[C@H]1CCCN(C(=O)c2ccc(NC3CCC3)nc2)C1 C1CC(C1)[*:1] COC[C@H]1CCCN(C1)C(=O)c1ccc(nc1)N[*:1]
COC[C@H]1CCCN(C(=O)c2ccc(NC3CCC3)nc2)C1 C1CC(C1)N[*:1] COC[C@H]1CCCN(C1)C(=O)c1ccc(nc1)[*:1]
COC[C@H]1CCCN(C(=O)c2ccc(NC3CCC3)nc2)C1 COC[*:1] O=C(c1ccc(nc1)NC1CCC1)N1CCC[C@@H](C1)[*:1]
Cc1n[nH]c(C)c1NC(=O)CN(C)[C@@H](C)c1ccncc1 Cc1n[nH]c(C)c1[*:1] C[C@@H](c1ccncc1)N(C)CC(=O)N[*:1]
Cc1n[nH]c(C)c1NC(=O)CN(C)[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] Cc1n[nH]c(C)c1NC(=O)CN(C)[C@@H](C)[*:1]
CC(C)=C[C@H]1[C@@H](C(=O)O[C@@H](C)c2nccs2)C1(C)C c1csc(n1)[*:1] CC(C)=C[C@H]1[C@@H](C(=O)O[C@@H](C)[*:1])C1(C)C
CC(C)=C[C@H]1[C@@H](C(=O)O[C@@H](C)c2nccs2)C1(C)C CC(C)=C[*:1] C[C@H](OC(=O)[C@@H]1[C@@H](C1(C)C)[*:1])c1nccs1
CCC(C)(C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 CCC(C)(C)NC(=O)C[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)O[*:1])c2C1
CCC(C)(C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 CCC(C)(C)NC(=O)[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)OC[*:1])c2C1
CCC(C)(C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 CCC(C)(C)[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N[*:1])c2C1
CCOC(=O)C(=O)c1csc(NC(=O)c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCOC(=O)C(=O)c1csc(n1)NC(=O)[*:1]
CCOC(=O)C(=O)c1csc(NC(=O)c2ccc(C)cc2)n1 CCOC(=O)C(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
Cc1ccc([C@@H](NC(=O)COc2ccc(C(N)=O)cc2)C2CC2)cc1 NC(=O)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)COc1ccc(cc1)[*:1])C1CC1
Cc1ccc([C@@H](NC(=O)COc2ccc(C(N)=O)cc2)C2CC2)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)OCC(=O)N[C@@H](C1CC1)[*:1]
Cc1ccc([C@@H](NC(=O)COc2ccc(C(N)=O)cc2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](NC(=O)COc1ccc(cc1)C(N)=O)[*:1]
CC(C)c1ocnc1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 CC(C)[*:1] O=C1CCCN1CC[C@@H]1CN(C(=O)c2ncoc2[*:1])c2ccccc21
CC(C)c1ocnc1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 O=C1CCCN1CC[*:1] CC(C)c1ocnc1C(=O)N1C[C@@H](c2ccccc21)[*:1]
CC(C)c1ocnc1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 O=C1CCCN1[*:1] CC(C)c1ocnc1C(=O)N1C[C@@H](CC[*:1])c2ccccc21
CC(C)c1ocnc1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 O=C1CCCN1C[*:1] CC(C)c1ocnc1C(=O)N1C[C@@H](C[*:1])c2ccccc21
CC(C)c1ocnc1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 CC(C)c1ocnc1[*:1] O=C1CCCN1CC[C@@H]1CN(C(=O)[*:1])c2ccccc21
COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccc(OC)c1OC COC(=O)[*:1] COc1cccc(c1OC)[C@@H]1NC(=O)N(C(C)=C1[*:1])C1CC1
COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccc(OC)c1OC C1CC1[*:1] COC(=O)C1=C(C)N(C(=O)N[C@H]1c1cccc(OC)c1OC)[*:1]
Cc1ccc2cc3c(nc2c1)N(C(=O)C(C)(C)C)CC3 CC(C)(C)[*:1] Cc1ccc2cc3CCN(C(=O)[*:1])c3nc2c1
Cn1c(SCC(=O)N2CCN(Cc3ccccc3)CC2)nc2sccc2c1=O c1ccc(cc1)[*:1] Cn1c(nc2sccc2c1=O)SCC(=O)N1CCN(CC1)C[*:1]
Cn1c(SCC(=O)N2CCN(Cc3ccccc3)CC2)nc2sccc2c1=O c1ccc(cc1)C[*:1] Cn1c(nc2sccc2c1=O)SCC(=O)N1CCN(CC1)[*:1]
C[C@H]1CCN1c1cc(C(=O)[O-])ccc1Cl C[C@H]1CCN1[*:1] O=C([O-])c1ccc(Cl)c(c1)[*:1]
C[C@H]1CCN1c1cc(C(=O)[O-])ccc1Cl O=C([O-])[*:1] C[C@H]1CCN1c1cc(ccc1Cl)[*:1]
COC(=O)c1ccccc1OC(=O)c1ccc(OC)c(Br)c1 COC(=O)[*:1] COc1ccc(cc1Br)C(=O)Oc1ccccc1[*:1]
O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(c2ccccc2O)=NO1 Clc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CC(=NO1)c1ccccc1O
O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(c2ccccc2O)=NO1 Oc1ccccc1[*:1] O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=NO1)[*:1]
CC(C)C(=O)NCCN1C(=O)S/C(=C/c2cccs2)C1=O CC(C)C(=O)N[*:1] O=C1S/C(=C/c2cccs2)C(=O)N1CC[*:1]
CC(C)C(=O)NCCN1C(=O)S/C(=C/c2cccs2)C1=O CC(C)[*:1] O=C1S/C(=C/c2cccs2)C(=O)N1CCNC(=O)[*:1]
CC(C)C(=O)NCCN1C(=O)S/C(=C/c2cccs2)C1=O c1csc(c1)[*:1] CC(C)C(=O)NCCN1C(=O)SC(=C[*:1])C1=O
CC(C)C(=O)NCCN1C(=O)S/C(=C/c2cccs2)C1=O CC(C)C(=O)NC[*:1] O=C1S/C(=C/c2cccs2)C(=O)N1C[*:1]
Cc1cc(=O)n2nc(NCC3(N4CCOCC4)CCCCC3)sc2n1 C1CN(CCO1)[*:1] Cc1cc(=O)n2nc(NCC3(CCCCC3)[*:1])sc2n1
Cc1cc2c(cc1C)O[C@@H](C(=O)NCCNC(=O)c1ccc(F)cc1)C2 Fc1ccc(cc1)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NCCNC(=O)[*:1]
CCOC(=O)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C CCOC(=O)C[*:1] Cn1c(=O)c2c(nc(Br)n2[*:1])n(C)c1=O
CCOC(=O)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C CCOC(=O)[*:1] Cn1c(=O)c2c(nc(Br)n2C[*:1])n(C)c1=O
Cc1nsc(N2CCN(CCC(=O)Nc3cc(C)on3)CC2)n1 Cc1cc(no1)[*:1] Cc1nsc(n1)N1CCN(CCC(=O)N[*:1])CC1
Cc1nsc(N2CCN(CCC(=O)Nc3cc(C)on3)CC2)n1 Cc1nsc(n1)[*:1] Cc1cc(no1)NC(=O)CCN1CCN(CC1)[*:1]
Cc1ccc(-c2nc([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)no2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)c1noc(n1)[*:1]
Cc1ccc(-c2nc([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)no2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(no1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccncc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1ccncc1
C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1)[*:1]
C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccncc1 C[C@H](c1ccncc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C)nc2ccccc12 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1NC(=O)c1cc(C)nc2ccccc12)[*:1]
O=C(OCC(=O)c1cc(F)ccc1F)c1ccc(N2CCCCCC2)nc1 C1CCCN(CC1)[*:1] O=C(OCC(=O)c1cc(F)ccc1F)c1ccc(nc1)[*:1]
O=C(OCC(=O)c1cc(F)ccc1F)c1ccc(N2CCCCCC2)nc1 Fc1ccc(F)c(c1)[*:1] O=C(OCC(=O)[*:1])c1ccc(nc1)N1CCCCCC1
CCOc1ccc([C@H](O)C[C@H]2CCCCC[NH2+]2)cc1 CCO[*:1] O[C@H](C[C@H]1CCCCC[NH2+]1)c1ccc(cc1)[*:1]
Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2C(C)(C)C)cc1[N+](=O)[O-] CC(C)(C)[*:1] Cc1ccc(cc1[N+](=O)[O-])[N-]S(=O)(=O)c1cn[nH]c1[*:1]
Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2C(C)(C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[N-]S(=O)(=O)c1cn[nH]c1C(C)(C)C
CCC(CC)(NC(=O)N(CC(F)(F)F)C(C)C)C(=O)[O-] FC(F)(F)[*:1] CCC(CC)(NC(=O)N(C[*:1])C(C)C)C(=O)[O-]
CCC(CC)(NC(=O)N(CC(F)(F)F)C(C)C)C(=O)[O-] FC(F)(F)C[*:1] CCC(CC)(NC(=O)N(C(C)C)[*:1])C(=O)[O-]
CCC(CC)(NC(=O)N(CC(F)(F)F)C(C)C)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)N(CC(F)(F)F)C(C)C)[*:1]
CCC(CC)(NC(=O)N(CC(F)(F)F)C(C)C)C(=O)[O-] CC(C)[*:1] CCC(CC)(NC(=O)N(CC(F)(F)F)[*:1])C(=O)[O-]
CC(C)(O)CCNc1ccc(Br)cc1 CC(C)(O)[*:1] Brc1ccc(cc1)NCC[*:1]
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(F)c1 CCOC(=O)[*:1] O=C(Nc1sc(cc1[*:1])-c1ccccc1)c1cccc(F)c1
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(F)c1 c1ccc(cc1)[*:1] CCOC(=O)c1cc(sc1NC(=O)c1cccc(F)c1)[*:1]
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCOC(=O)c1cc(sc1NC(=O)[*:1])-c1ccccc1
O=C(NC[C@H]1C[C@@]12CCc1ccccc12)c1cscn1 c1nc(cs1)[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
CCCn1cc(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)ccc1=O CC(C)[*:1] CCCn1cc(ccc1=O)NC(=O)[C@H](N1C[C@@H](C)O[C@H](C)C1)[*:1]
CCCn1cc(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)ccc1=O CCC[*:1] CC(C)[C@@H](C(=O)Nc1ccc(=O)n(c1)[*:1])N1C[C@@H](C)O[C@H](C)C1
O=C(NCc1ccccc1-n1ccnc1)Nc1ccc(F)cc1Br c1cn(cn1)[*:1] O=C(NCc1ccccc1[*:1])Nc1ccc(F)cc1Br
O=C(NCc1ccccc1-n1ccnc1)Nc1ccc(F)cc1Br Fc1ccc(c(Br)c1)[*:1] O=C(NCc1ccccc1-n1ccnc1)N[*:1]
Cc1cnc([C@H](C)NC(=O)C(=O)Nc2cccc(N3CCCCC3)c2)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)N1CCCCC1)[*:1]
Cc1cnc([C@H](C)NC(=O)C(=O)Nc2cccc(N3CCCCC3)c2)s1 C1CCN(CC1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ncc([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c(C)n1 FC(F)(F)C[*:1] Cc1ncc(c(C)n1)[C@H](C)N[C@@H]1CCCN(C1=O)[*:1]
Cc1ncc([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c(C)n1 FC(F)(F)[*:1] Cc1ncc(c(C)n1)[C@H](C)N[C@@H]1CCCN(C[*:1])C1=O
Cc1cccc(OC(=O)CCNC(=O)OC(C)(C)C)c1C CC(C)(C)[*:1] Cc1cccc(OC(=O)CCNC(=O)O[*:1])c1C
CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(C)C2=O)ccc1OC CCO[*:1] COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C)C2=O)cc1[*:1]
CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(C)C2=O)ccc1OC c1ccc(cc1)[*:1] CCOc1cc(/C=C2\SC(=N[*:1])N(C)C2=O)ccc1OC
C[C@H](Cc1cc(C(=O)N2CCOc3ccccc32)on1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(c1cc(C[*:1])no1)N1CCOc2ccccc21
C[C@H](Cc1cc(C(=O)N2CCOc3ccccc32)on1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cc1cc(on1)C(=O)N1CCOc2ccccc21)[*:1]
O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc3ccccc3n2)CC1 Fc1ccc(cc1)[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1ccc2ccccc2n1
CCC[C@](C)(CO)NC(=O)Nc1cc(-c2ccccc2)nn1C(C)C CCC[*:1] CC(C)n1nc(cc1NC(=O)N[C@](C)(CO)[*:1])-c1ccccc1
CCC[C@](C)(CO)NC(=O)Nc1cc(-c2ccccc2)nn1C(C)C CC(C)[*:1] CCC[C@](C)(CO)NC(=O)Nc1cc(nn1[*:1])-c1ccccc1
CCC[C@](C)(CO)NC(=O)Nc1cc(-c2ccccc2)nn1C(C)C c1ccc(cc1)[*:1] CCC[C@](C)(CO)NC(=O)Nc1cc(nn1C(C)C)[*:1]
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2C[C@@H]2C)cc1 CNC(=O)[*:1] C[C@H]1C[C@H]1C(=O)N(Cc1ccc(cc1)[*:1])Cc1ccco1
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2C[C@@H]2C)cc1 c1coc(c1)C[*:1] CNC(=O)c1ccc(cc1)CN(C(=O)[C@@H]1C[C@@H]1C)[*:1]
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2C[C@@H]2C)cc1 c1coc(c1)[*:1] CNC(=O)c1ccc(cc1)CN(C[*:1])C(=O)[C@@H]1C[C@@H]1C
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCO[C@@H]1C CC[C@@H](C)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CSC[C@@H]1C(=O)N[*:1]
FC(F)(F)Oc1ccc(C[NH2+]CCn2cccn2)cc1 c1cnn(c1)[*:1] FC(F)(F)Oc1ccc(cc1)C[NH2+]CC[*:1]
FC(F)(F)Oc1ccc(C[NH2+]CCn2cccn2)cc1 FC(F)(F)O[*:1] c1cnn(c1)CC[NH2+]Cc1ccc(cc1)[*:1]
FC(F)(F)Oc1ccc(C[NH2+]CCn2cccn2)cc1 FC(F)(F)[*:1] c1cnn(c1)CC[NH2+]Cc1ccc(cc1)O[*:1]
FC(F)(F)Oc1ccc(C[NH2+]CCn2cccn2)cc1 c1cnn(c1)C[*:1] FC(F)(F)Oc1ccc(cc1)C[NH2+]C[*:1]
O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] O=C(C[C@@H]1SC(=NC1=O)N1CCOCC1)Nc1ccc(cc1)S[*:1]
O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] O=C(C[C@@H]1SC(=NC1=O)N1CCOCC1)Nc1ccc(cc1)[*:1]
COC(=O)c1c(C)n(C)c2ccc(OC(=O)/C=C/c3ccncc3)cc12 C(=C[*:1])c1ccncc1 COC(=O)c1c(C)n(C)c2ccc(cc12)OC(=O)[*:1]
COC(=O)c1c(C)n(C)c2ccc(OC(=O)/C=C/c3ccncc3)cc12 COC(=O)[*:1] Cc1c(c2cc(ccc2n1C)OC(=O)/C=C/c1ccncc1)[*:1]
COC(=O)c1c(C)n(C)c2ccc(OC(=O)/C=C/c3ccncc3)cc12 c1cc(ccn1)[*:1] COC(=O)c1c(C)n(C)c2ccc(cc12)OC(=O)C=C[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1COc2ccccc2C1 Clc1cccc(c1)O[*:1] C[C@H](C(=O)NC[C@H]1COc2ccccc2C1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1COc2ccccc2C1 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)NC[C@H]1COc2ccccc2C1
CC(C)Oc1ccc(CCNC(=O)N[C@@H](C)CO)cc1 CC(C)[*:1] C[C@@H](CO)NC(=O)NCCc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(CCNC(=O)N[C@@H](C)CO)cc1 C[C@@H](CO)[*:1] CC(C)Oc1ccc(cc1)CCNC(=O)N[*:1]
CC(C)Oc1ccc(CCNC(=O)N[C@@H](C)CO)cc1 CC(C)O[*:1] C[C@@H](CO)NC(=O)NCCc1ccc(cc1)[*:1]
COCc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)s1 COC[*:1] O=C(Nc1nnc(s1)[*:1])c1cc(=O)c(co1)OCc1ccccc1
COCc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)s1 c1ccc(cc1)C[*:1] COCc1nnc(NC(=O)c2cc(=O)c(co2)O[*:1])s1
COCc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)s1 c1ccc(cc1)CO[*:1] COCc1nnc(NC(=O)c2cc(=O)c(co2)[*:1])s1
COCc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)s1 c1ccc(cc1)[*:1] COCc1nnc(NC(=O)c2cc(=O)c(co2)OC[*:1])s1
COCc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)s1 COCc1nnc(s1)[*:1] O=C(N[*:1])c1cc(=O)c(co1)OCc1ccccc1
CC(C)C[C@H](C[NH3+])C(=O)Nc1cccc(-n2ccnc2)c1 CC(C)C[*:1] [NH3+]C[C@H](C(=O)Nc1cccc(c1)-n1ccnc1)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)Nc1cccc(-n2ccnc2)c1 CC(C)[*:1] [NH3+]C[C@@H](C[*:1])C(=O)Nc1cccc(c1)-n1ccnc1
CC(C)C[C@H](C[NH3+])C(=O)Nc1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] CC(C)C[C@H](C[NH3+])C(=O)Nc1cccc(c1)[*:1]
O=c1c2ccccc2nc2nc(-c3ccccc3)cc(-c3ccc([N+](=O)[O-])cc3)n12 O=[N+]([O-])[*:1] O=c1c2ccccc2nc2nc(cc(-c3ccc(cc3)[*:1])n12)-c1ccccc1
O=c1c2ccccc2nc2nc(-c3ccccc3)cc(-c3ccc([N+](=O)[O-])cc3)n12 O=[N+]([O-])c1ccc(cc1)[*:1] O=c1c2ccccc2nc2nc(cc(n12)[*:1])-c1ccccc1
O=c1c2ccccc2nc2nc(-c3ccccc3)cc(-c3ccc([N+](=O)[O-])cc3)n12 c1ccc(cc1)[*:1] O=c1c2ccccc2nc2nc(cc(-c3ccc(cc3)[N+](=O)[O-])n12)[*:1]
CCNC(=O)c1cccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 C1CCC(CC1)C[*:1] CCNC(=O)c1cccc(c1)NC(=O)N1CC[NH+](CC1)[*:1]
CCNC(=O)c1cccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 CCNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CC[NH+](CC1)CC1CCCCC1
CCNC(=O)c1cccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 C1CCC(CC1)[*:1] CCNC(=O)c1cccc(c1)NC(=O)N1CC[NH+](CC1)C[*:1]
CC(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(Br)ccc3n2C)cc1 CC(C)[*:1] Cn1/c(=N/C(=O)c2ccc(cc2)S(=O)(=O)[*:1])sc2cc(Br)ccc21
CC(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(Br)ccc3n2C)cc1 CC(C)S(=O)(=O)[*:1] Cn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cc(Br)ccc21
C[C@H](C(=O)OC(C)(C)C)N(C)Cc1cccnc1 c1cncc(c1)[*:1] C[C@H](C(=O)OC(C)(C)C)N(C)C[*:1]
C[C@H](C(=O)OC(C)(C)C)N(C)Cc1cccnc1 CC(C)(C)[*:1] C[C@H](C(=O)O[*:1])N(C)Cc1cccnc1
Cc1ccc(-c2nnc(NC(=O)c3cccc(Br)c3)o2)c(C)c1 Brc1cccc(c1)[*:1] Cc1ccc(-c2nnc(NC(=O)[*:1])o2)c(C)c1
CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCCC[C@@H]3C)c2C)cn1 CCn1cc(cn1)[*:1] Cc1ccc2nc(c(C)c(C(=O)N3CCCC[C@@H]3C)c2c1)[*:1]
CCOC(=O)[C@H](C)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] CCOC(=O)[C@H](C)NC(=O)N1CC[C@H]([C@@H]1C)[*:1]
CCOC(=O)[C@H](C)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C CCOC(=O)[*:1] C[C@H]1[C@H](CCN1C(=O)N[C@@H](C)[*:1])C(=O)[O-]
CC[C@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1cccc(Cl)c1 C[C@H](c1ccncc1)[*:1] CC[C@H]([NH2+]C1CCN(CC1)[*:1])c1cccc(Cl)c1
CC[C@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1cccc(Cl)c1 c1cc(ccn1)[*:1] CC[C@H]([NH2+]C1CCN(CC1)[C@H](C)[*:1])c1cccc(Cl)c1
CC[C@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H]([NH2+]C1CCN(CC1)[C@H](C)c1ccncc1)[*:1]
C#CCN(CC#C)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 Fc1ccc(cc1)[*:1] C#CCN(CC#C)C(=O)C1C[C@H](C(N)=O)N(N=1)[*:1]
C#CCN(CC#C)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 C#CC[*:1] C#CCN(C(=O)C1C[C@H](C(N)=O)N(N=1)c1ccc(F)cc1)[*:1]
C#CCN(CC#C)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 NC(=O)[*:1] C#CCN(CC#C)C(=O)C1C[C@H](N(N=1)c1ccc(F)cc1)[*:1]
Cc1nnc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)o1 Fc1cccc(Cl)c1C[*:1] Cc1nnc(CN(C)C(=O)C[C@H]2C(=O)NCCN2[*:1])o1
Cc1nnc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)o1 Cc1nnc(C[*:1])o1 CN(C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)[*:1]
Cc1nnc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)o1 Fc1cccc(Cl)c1[*:1] Cc1nnc(CN(C)C(=O)C[C@H]2C(=O)NCCN2C[*:1])o1
Cc1nnc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)o1 Cc1nnc(o1)[*:1] CN(C[*:1])C(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl
CN(C(=O)c1cnc(Cc2ccccc2)s1)c1ccccc1F c1ccc(cc1)C[*:1] CN(C(=O)c1cnc(s1)[*:1])c1ccccc1F
CN(C(=O)c1cnc(Cc2ccccc2)s1)c1ccccc1F c1ccc(cc1)[*:1] CN(C(=O)c1cnc(C[*:1])s1)c1ccccc1F
CN(C(=O)c1cnc(Cc2ccccc2)s1)c1ccccc1F Fc1ccccc1[*:1] CN(C(=O)c1cnc(Cc2ccccc2)s1)[*:1]
Cc1cccc(C(=O)NN2S(=O)(=O)c3ccccc3S2(=O)=O)c1 Cc1cccc(c1)[*:1] O=C(NN1S(=O)(=O)c2ccccc2S1(=O)=O)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)/C=C/c1ccc([N-]S(C)(=O)=O)cc1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)/C=C/c1ccc(cc1)[N-]S(C)(=O)=O)[*:1]
C[C@H](OC(=O)c1csc(-c2cnccn2)n1)c1cnc2ccccc2c1 c1cnc(cn1)[*:1] C[C@H](OC(=O)c1csc(n1)[*:1])c1cnc2ccccc2c1
CSc1ccc(NC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)cc1 CSc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N[*:1]
CSc1ccc(NC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)cc1 c1ccc(cc1)C[*:1] CSc1ccc(cc1)NC(=O)[C@H](NC(=O)N[*:1])C(C)C
CSc1ccc(NC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)cc1 CC(C)[*:1] CSc1ccc(cc1)NC(=O)[C@H](NC(=O)NCc1ccccc1)[*:1]
CSc1ccc(NC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)NC(=O)[C@H](NC(=O)NC[*:1])C(C)C
CC[C@H](C)C(=O)Nc1cc2ccccc2cc1NC(=O)[C@@H](C)CC CC[C@H](C)C(=O)N[*:1] CC[C@H](C)C(=O)Nc1cc2ccccc2cc1[*:1]
CC[C@H](C)C(=O)Nc1cc2ccccc2cc1NC(=O)[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)C(=O)Nc1cc2ccccc2cc1NC(=O)[*:1]
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N2CCC[C@H](O)C2)c1 CC[C@@H](C)[*:1] O=C(NCc1cccc(c1)NC(=O)[*:1])N1CCC[C@H](O)C1
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N2CCC[C@H](O)C2)c1 CC[C@@H](C)C(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])N1CCC[C@H](O)C1
CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(C)cc1Cl Fc1ccc(cc1)[*:1] CC[C@H](Oc1ccc(=O)n(n1)[*:1])C(=O)Nc1ccc(C)cc1Cl
CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(C)cc1Cl Cc1ccc(c(Cl)c1)[*:1] CC[C@H](Oc1ccc(=O)n(n1)-c1ccc(F)cc1)C(=O)N[*:1]
O=C(Cc1cn2ccsc2n1)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(Cc1cn2ccsc2n1)NCc1cnn(c1)[*:1]
O=C(Cc1cn2ccsc2n1)NCc1cnn(Cc2ccccc2)c1 c1cn2cc(nc2s1)[*:1] O=C(C[*:1])NCc1cnn(c1)Cc1ccccc1
O=C(Cc1cn2ccsc2n1)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Cc1cn2ccsc2n1)NCc1cnn(c1)C[*:1]
CC(C)(C)OC(=O)N1CCC(CCO)(CCO)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CCO)(CCO)CC1
CC(C)(C)OC(=O)N1CCC(CCO)(CCO)CC1 OCC[*:1] CC(C)(C)OC(=O)N1CCC(CCO)(CC1)[*:1]
O=C(CCc1ccccc1)Oc1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 O=C(CCc1ccccc1)Oc1cccc(c1)[*:1]
O=C(CCc1ccccc1)Oc1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] O=C(CCc1ccccc1)Oc1cccc(c1)NC(=O)[*:1]
O=C(CCc1ccccc1)Oc1cccc(NC(=O)C2CC2)c1 c1ccc(cc1)[*:1] O=C(CC[*:1])Oc1cccc(c1)NC(=O)C1CC1
O=C(CCc1ccccc1)Oc1cccc(NC(=O)C2CC2)c1 c1ccc(cc1)C[*:1] O=C(C[*:1])Oc1cccc(c1)NC(=O)C1CC1
CCOCCN(C)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C CCOC[*:1] Cc1c(cnn1-c1ccccc1)NC(=O)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C CCO[*:1] Cc1c(cnn1-c1ccccc1)NC(=O)C(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C c1ccc(cc1)[*:1] CCOCCN(C)C(=O)C(=O)Nc1cnn(c1C)[*:1]
CCOCCN(C)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C CCOCC[*:1] Cc1c(cnn1-c1ccccc1)NC(=O)C(=O)N(C)[*:1]
Nc1nnc(SCC(=O)N(Cc2ccccc2)C2CC2)s1 Nc1nnc(S[*:1])s1 O=C(C[*:1])N(Cc1ccccc1)C1CC1
Nc1nnc(SCC(=O)N(Cc2ccccc2)C2CC2)s1 c1ccc(cc1)C[*:1] Nc1nnc(SCC(=O)N(C2CC2)[*:1])s1
Nc1nnc(SCC(=O)N(Cc2ccccc2)C2CC2)s1 c1ccc(cc1)[*:1] Nc1nnc(SCC(=O)N(C[*:1])C2CC2)s1
Nc1nnc(SCC(=O)N(Cc2ccccc2)C2CC2)s1 C1CC1[*:1] Nc1nnc(SCC(=O)N(Cc2ccccc2)[*:1])s1
Nc1nnc(SCC(=O)N(Cc2ccccc2)C2CC2)s1 Nc1nnc(s1)[*:1] O=C(CS[*:1])N(Cc1ccccc1)C1CC1
COc1ccc(NC(=O)COc2ccc(Br)cc2)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 COc1ccc(cc1[*:1])NC(=O)COc1ccc(Br)cc1
COc1ccc(NC(=O)COc2ccc(Br)cc2)cc1NC(=O)c1ccco1 Brc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)c1ccco1)NC(=O)CO[*:1]
COc1ccc(NC(=O)COc2ccc(Br)cc2)cc1NC(=O)c1ccco1 Brc1ccc(cc1)OC[*:1] COc1ccc(cc1NC(=O)c1ccco1)NC(=O)[*:1]
COc1ccc(NC(=O)COc2ccc(Br)cc2)cc1NC(=O)c1ccco1 Brc1ccc(cc1)O[*:1] COc1ccc(cc1NC(=O)c1ccco1)NC(=O)C[*:1]
COc1ccc(NC(=O)COc2ccc(Br)cc2)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] COc1ccc(cc1NC(=O)[*:1])NC(=O)COc1ccc(Br)cc1
Cc1cc2ncc3c(n2n1)C[C@@H](c1cccc(Cl)c1)CC3=O Clc1cccc(c1)[*:1] Cc1cc2ncc3C(=O)C[C@H](Cc3n2n1)[*:1]
COCCOc1c(Cl)cccc1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F COC[*:1] O=C(Nc1cccc(Cl)c1OC[*:1])[C@@H]1CCCC[C@H]1C(F)(F)F
COCCOc1c(Cl)cccc1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F COCCO[*:1] O=C(Nc1cccc(Cl)c1[*:1])[C@@H]1CCCC[C@H]1C(F)(F)F
COCCOc1c(Cl)cccc1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F FC(F)(F)[*:1] COCCOc1c(Cl)cccc1NC(=O)[C@@H]1CCCC[C@@H]1[*:1]
COCCOc1c(Cl)cccc1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F COCC[*:1] O=C(Nc1cccc(Cl)c1O[*:1])[C@@H]1CCCC[C@H]1C(F)(F)F
C[NH2+][C@H](C)c1cc(F)c(C)cc1SCCOC COCC[*:1] C[NH2+][C@H](C)c1cc(F)c(C)cc1S[*:1]
C[NH2+][C@H](C)c1cc(F)c(C)cc1SCCOC COC[*:1] C[NH2+][C@H](C)c1cc(F)c(C)cc1SC[*:1]
C[NH2+][C@H](C)c1cc(F)c(C)cc1SCCOC COCCS[*:1] C[NH2+][C@H](C)c1cc(F)c(C)cc1[*:1]
CC[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)[*:1]
Cc1cc(N2CCC3(CC2)CN(C)C(=O)O3)nc(Nc2cccc(O)c2)n1 Oc1cccc(c1)N[*:1] Cc1cc(nc(n1)[*:1])N1CCC2(CC1)CN(C)C(=O)O2
Cc1cc(N2CCC3(CC2)CN(C)C(=O)O3)nc(Nc2cccc(O)c2)n1 Oc1cccc(c1)[*:1] Cc1cc(nc(n1)N[*:1])N1CCC2(CC1)CN(C)C(=O)O2
Cc1ccc(C(=O)CCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])Nc1cc(Cl)c(O)c(Cl)c1
CC[C@H](Cc1ccc(C)cc1)NC(=O)Nc1cnn(-c2ncccn2)c1 Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)Nc1cnn(c1)-c1ncccn1
CC[C@H](Cc1ccc(C)cc1)NC(=O)Nc1cnn(-c2ncccn2)c1 Cc1ccc(cc1)C[*:1] CC[C@H](NC(=O)Nc1cnn(c1)-c1ncccn1)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] CC[C@H](Cc1ccc(C)cc1)NC(=O)Nc1cnn(c1)[*:1]
CC(C)(C)NC(=O)CNS(=O)(=O)c1cc2cc(Cl)ccc2s1 CC(C)(C)NC(=O)[*:1] O=S(=O)(NC[*:1])c1cc2cc(Cl)ccc2s1
CC(C)(C)NC(=O)CNS(=O)(=O)c1cc2cc(Cl)ccc2s1 CC(C)(C)[*:1] O=C(CNS(=O)(=O)c1cc2cc(Cl)ccc2s1)N[*:1]
Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@H]4CC(=O)Nc2ccc(C)c(Cl)c2)c1 Cc1ccc(cc1Cl)[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@H]3CC(=O)N[*:1]
Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@H]4CC(=O)Nc2ccc(C)c(Cl)c2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
CC[C@H](Cc1ccccc1)N(C)c1ccc(C(=O)NC)n[nH+]1 CNC(=O)[*:1] CC[C@H](Cc1ccccc1)N(C)c1ccc(n[nH+]1)[*:1]
CC[C@H](Cc1ccccc1)N(C)c1ccc(C(=O)NC)n[nH+]1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])N(C)c1ccc(n[nH+]1)C(=O)NC
CC[C@H](Cc1ccccc1)N(C)c1ccc(C(=O)NC)n[nH+]1 c1ccc(cc1)C[*:1] CC[C@H](N(C)c1ccc(n[nH+]1)C(=O)NC)[*:1]
C[C@H](NC(=O)NCCOc1ccc(Br)cc1)[C@@H](C)CO C[C@@H](CO)[*:1] C[C@H](NC(=O)NCCOc1ccc(Br)cc1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)CN1C(=O)c2cccc3cccc1c23)[*:1]
O=C(CCn1cnc(C2CCC2)cc1=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CCn1cnc(cc1=O)C1CCC1)N[*:1]
O=C(CCn1cnc(C2CCC2)cc1=O)Nc1cccc(Cl)c1 C1CC(C1)[*:1] O=C(CCn1cnc(cc1=O)[*:1])Nc1cccc(Cl)c1
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccc3c(c2)ncn3C)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)N[C@@H](C[*:1])C(=O)Nc1ccc2c(c1)ncn2C
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccc3c(c2)ncn3C)n1 c1ccc(cc1)C[*:1] Cc1cc(C)nc(n1)N[C@@H](C(=O)Nc1ccc2c(c1)ncn2C)[*:1]
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccc3c(c2)ncn3C)n1 Cn1cnc2cc(ccc21)[*:1] Cc1cc(C)nc(n1)N[C@@H](Cc1ccccc1)C(=O)N[*:1]
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccc3c(c2)ncn3C)n1 Cc1cc(C)nc(n1)[*:1] Cn1cnc2cc(ccc21)NC(=O)[C@H](Cc1ccccc1)N[*:1]
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccc3c(c2)ncn3C)n1 Cc1cc(C)nc(n1)N[*:1] Cn1cnc2cc(ccc21)NC(=O)[C@H](Cc1ccccc1)[*:1]
CC(=O)c1cccc(OCC(=O)Nc2nn(-c3ccccc3Cl)cc2C)c1 Clc1ccccc1[*:1] CC(=O)c1cccc(c1)OCC(=O)Nc1nn(cc1C)[*:1]
CC(=O)c1cccc(OCC(=O)Nc2nn(-c3ccccc3Cl)cc2C)c1 CC(=O)c1cccc(c1)[*:1] Cc1cn(nc1NC(=O)CO[*:1])-c1ccccc1Cl
CC(=O)c1cccc(OCC(=O)Nc2nn(-c3ccccc3Cl)cc2C)c1 CC(=O)[*:1] Cc1cn(nc1NC(=O)COc1cccc(c1)[*:1])-c1ccccc1Cl
CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)O[*:1] CCn1ccnc1N1CCN(CC1)C(=O)C[*:1]
CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 CCn1ccnc1[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)[*:1]
CCn1ccnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCn1ccnc1N1CCN(CC1)C(=O)CO[*:1]
COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3nc(C)cs3)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1csc(CN2C(=O)N[C@](C)(CC[*:1])C2=O)n1
COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3nc(C)cs3)C2=O)cc1 Cc1csc(n1)[*:1] COc1ccc(cc1)CC[C@@]1(C)NC(=O)N(C[*:1])C1=O
COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3nc(C)cs3)C2=O)cc1 Cc1csc(C[*:1])n1 COc1ccc(cc1)CC[C@@]1(C)NC(=O)N(C1=O)[*:1]
CCOC(=O)c1ccsc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C)C1 CCOC(=O)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1sccc1[*:1]
CCc1nn(C)cc1C(=O)NNC(=O)c1cccn1C Cn1cccc1[*:1] CCc1nn(C)cc1C(=O)NNC(=O)[*:1]
CNC(=O)c1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1Cl CNC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1ccc2cc[nH]c2c1
O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1cccc(OC(F)F)c1 FC(F)[*:1] O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1cccc(c1)O[*:1]
O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1cccc(OC(F)F)c1 Fc1ccc(cc1)C[*:1] O=C(NC[C@@H](O)c1cccc(c1)OC(F)F)[*:1]
O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1cccc(c1)[*:1]
O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1cccc(OC(F)F)c1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NC[C@@H](O)c1cccc(c1)OC(F)F
CC(C)c1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 CC(C)[*:1] C[C@@H]1C[NH+](C[C@@H](O)COc2ccc(cc2)[*:1])C[C@@H](C)O1
Cc1nnc2n1CCC[C@H]2NC(=O)NC[C@H](O)c1ccccc1Cl Clc1ccccc1[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)NC[C@H](O)[*:1]
Cc1ccc(CCCC(=O)NCc2nc(-c3ccncc3)no2)s1 Cc1ccc(C[*:1])s1 O=C(CC[*:1])NCc1nc(no1)-c1ccncc1
Cc1ccc(CCCC(=O)NCc2nc(-c3ccncc3)no2)s1 c1cc(ccn1)[*:1] Cc1ccc(CCCC(=O)NCc2nc(no2)[*:1])s1
Cc1ccc(CCCC(=O)NCc2nc(-c3ccncc3)no2)s1 Cc1ccc(s1)[*:1] O=C(CCC[*:1])NCc1nc(no1)-c1ccncc1
Cc1ccc(CCCC(=O)NCc2nc(-c3ccncc3)no2)s1 Cc1ccc(CC[*:1])s1 O=C(C[*:1])NCc1nc(no1)-c1ccncc1
C=CCn1c(SC[C@@H](O)CO)nc2c1c(=O)n(C)c(=O)n2C OC[C@H](O)CS[*:1] C=CCn1c(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
C=CCn1c(SC[C@@H](O)CO)nc2c1c(=O)n(C)c(=O)n2C OC[C@H](O)C[*:1] C=CCn1c(nc2c1c(=O)n(C)c(=O)n2C)S[*:1]
C=CCn1c(SC[C@@H](O)CO)nc2c1c(=O)n(C)c(=O)n2C C=CC[*:1] Cn1c(=O)c2c(nc(SC[C@@H](O)CO)n2[*:1])n(C)c1=O
C=CCn1c(SC[C@@H](O)CO)nc2c1c(=O)n(C)c(=O)n2C OC[C@H](O)[*:1] C=CCn1c(nc2c1c(=O)n(C)c(=O)n2C)SC[*:1]
C=CCNC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 C1CC1[*:1] C=CCNC(=O)N(Cc1ccc(cc1)OC)[C@@H](C)[*:1]
C=CCNC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 C=CC[*:1] COc1ccc(cc1)CN(C(=O)N[*:1])[C@@H](C)C1CC1
C=CCNC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] C=CCNC(=O)N(Cc1ccc(cc1)OC)[*:1]
CC(C)N(C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1CCCC1 c1ccc(cc1)[*:1] CC(C)N(C(=O)[C@@H]1CC(=O)N(CC[*:1])C1)C1CCCC1
CC(C)N(C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1CCCC1 C1CCC(C1)[*:1] CC(C)N(C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)[*:1]
CC(C)N(C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1CCCC1 c1ccc(cc1)C[*:1] CC(C)N(C(=O)[C@@H]1CC(=O)N(C1)C[*:1])C1CCCC1
CC(C)N(C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1CCCC1 c1ccc(cc1)CC[*:1] CC(C)N(C(=O)[C@@H]1CC(=O)N(C1)[*:1])C1CCCC1
CC(C)N(C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1CCCC1 CC(C)[*:1] O=C1C[C@H](CN1CCc1ccccc1)C(=O)N(C1CCCC1)[*:1]
CC[C@@H](C)NC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 CC[C@@H](C)NC(=O)[*:1] O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
CC[C@@H](C)NC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] CC[C@@H](C)NC(=O)c1cccc(c1)NC(=O)[C@H]1CCCC[C@H]1[*:1]
CC[C@@H](C)NC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 CC[C@@H](C)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]
CCc1cccc(OCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c1 CCc1cccc(c1)[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)CO[*:1]
CCc1cccc(OCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c1 CCc1cccc(c1)O[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)C[*:1]
CCc1cccc(OCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c1 CC(=O)[*:1] CCc1cccc(c1)OCC(=O)Nc1nc(-c2ccccc2)c(s1)[*:1]
CCc1cccc(OCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c1 c1ccc(cc1)[*:1] CCc1cccc(c1)OCC(=O)Nc1nc(c(s1)C(C)=O)[*:1]
CC(=O)C1=NN(c2c(Cl)cccc2Cl)[C@]2(S1)SC(C(C)=O)=C(C)N2C CC(=O)[*:1] CC(=O)C1=NN(c2c(Cl)cccc2Cl)[C@]2(S1)SC(=C(C)N2C)[*:1]
CC(=O)C1=NN(c2c(Cl)cccc2Cl)[C@]2(S1)SC(C(C)=O)=C(C)N2C Clc1cccc(Cl)c1[*:1] CC(=O)C1=NN([C@]2(S1)SC(C(C)=O)=C(C)N2C)[*:1]
CCCCc1noc(CCn2c(=O)oc3ccccc32)n1 CCC[*:1] O=c1oc2ccccc2n1CCc1nc(C[*:1])no1
CCCCc1noc(CCn2c(=O)oc3ccccc32)n1 CCCC[*:1] O=c1oc2ccccc2n1CCc1nc(no1)[*:1]
Cc1ccccc1[C@H](CO)CCCS(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccccc1[C@H](CO)CCC[*:1]
Cc1ccccc1[C@H](CO)CCCS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1ccccc1[C@H](CO)CC[*:1]
C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
COc1cccc([C@H]2CNC(=O)c3nc(-c4noc(CC(C)C)n4)[nH]c3C2)c1 CC(C)[*:1] COc1cccc(c1)[C@H]1CNC(=O)c2nc([nH]c2C1)-c1noc(C[*:1])n1
COc1cccc([C@H]2CNC(=O)c3nc(-c4noc(CC(C)C)n4)[nH]c3C2)c1 CC(C)Cc1nc(no1)[*:1] COc1cccc(c1)[C@H]1CNC(=O)c2nc([nH]c2C1)[*:1]
COc1cccc([C@H]2CNC(=O)c3nc(-c4noc(CC(C)C)n4)[nH]c3C2)c1 COc1cccc(c1)[*:1] CC(C)Cc1nc(no1)-c1nc2C(=O)NC[C@@H](Cc2[nH]1)[*:1]
COc1cccc([C@H]2CNC(=O)c3nc(-c4noc(CC(C)C)n4)[nH]c3C2)c1 CC(C)C[*:1] COc1cccc(c1)[C@H]1CNC(=O)c2nc([nH]c2C1)-c1noc(n1)[*:1]
Cn1nccc1C(=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 Cn1nccc1[*:1] O=C(Nc1nnc(o1)-c1cc(Cl)ccc1Cl)[*:1]
CC(C)[NH2+]CCCC(=O)Nc1cc(Br)ccc1O CC(C)[*:1] O=C(CCC[NH2+][*:1])Nc1cc(Br)ccc1O
CC(C)n1cnnc1CNC(=O)c1c(F)cc(Br)cc1F CC(C)[*:1] O=C(NCc1nncn1[*:1])c1c(F)cc(Br)cc1F
CC(C)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccnc1 CC(C)[*:1] C[NH+]1CCN(CCC[NH2+][C@@H](c2cccnc2)[*:1])CC1
CC(C)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2nnc(C)n2C)n1 Cc1cc(C)n(C[*:1])n1 Cc1nnc(CN(C)C(=O)NC[C@@H](C)[*:1])n1C
Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2nnc(C)n2C)n1 Cc1cc(C)n(n1)[*:1] Cc1nnc(CN(C)C(=O)NC[C@@H](C)C[*:1])n1C
Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2nnc(C)n2C)n1 Cc1nnc(n1C)[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)C[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2nnc(C)n2C)n1 Cc1nnc(C[*:1])n1C Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)[*:1])n1
C[C@@H](c1ccccn1)N(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 c1ccc(nc1)[*:1] C[C@@H](N(C)c1ccc(c(n1)-c1ccccc1)[N+](=O)[O-])[*:1]
C[C@@H](c1ccccn1)N(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 O=[N+]([O-])[*:1] C[C@@H](c1ccccn1)N(C)c1ccc(c(n1)-c1ccccc1)[*:1]
C[C@@H](c1ccccn1)N(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](c1ccccn1)N(C)c1ccc(c(n1)[*:1])[N+](=O)[O-]
CCn1c(CN[C@@H](C)C(=O)NCc2ccco2)nc2ccccc21 c1coc(c1)[*:1] CCn1c(CN[C@@H](C)C(=O)NC[*:1])nc2ccccc21
CCn1c(CN[C@@H](C)C(=O)NCc2ccco2)nc2ccccc21 c1coc(c1)C[*:1] CCn1c(CN[C@@H](C)C(=O)N[*:1])nc2ccccc21
O=C(COC(=O)c1ccccc1Br)NCC(F)(F)F FC(F)(F)[*:1] O=C(COC(=O)c1ccccc1Br)NC[*:1]
O=C(COC(=O)c1ccccc1Br)NCC(F)(F)F FC(F)(F)C[*:1] O=C(COC(=O)c1ccccc1Br)N[*:1]
CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 C1CCCN(CC1)[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc([nH+]c1)[*:1]
O[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(C2CC2)c1 C1CC1[*:1] O[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(c1)[*:1]
COc1ccc(F)c(N[C@H](C)/C(N)=N/O)c1 N/C(=N\O)[*:1] COc1ccc(F)c(c1)N[C@H](C)[*:1]
COCCN(CC(=O)N(C)C)S(=O)(=O)c1cccc(Cl)c1Cl CN(C)C(=O)C[*:1] COCCN(S(=O)(=O)c1cccc(Cl)c1Cl)[*:1]
COCCN(CC(=O)N(C)C)S(=O)(=O)c1cccc(Cl)c1Cl CN(C)C(=O)[*:1] COCCN(C[*:1])S(=O)(=O)c1cccc(Cl)c1Cl
COCCN(CC(=O)N(C)C)S(=O)(=O)c1cccc(Cl)c1Cl COCC[*:1] CN(C)C(=O)CN(S(=O)(=O)c1cccc(Cl)c1Cl)[*:1]
COCCN(CC(=O)N(C)C)S(=O)(=O)c1cccc(Cl)c1Cl COC[*:1] CN(C)C(=O)CN(C[*:1])S(=O)(=O)c1cccc(Cl)c1Cl
CCOc1ccc(Nc2nc(CC(=O)Nc3ccccc3)cs2)cc1 CCO[*:1] O=C(Cc1csc(n1)Nc1ccc(cc1)[*:1])Nc1ccccc1
CCOc1ccc(Nc2nc(CC(=O)Nc3ccccc3)cs2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)Nc1nc(cs1)CC(=O)N[*:1]
C=CCOc1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1Cl CN(S(C)(=O)=O)[*:1] C=CCOc1ccc(cc1Cl)C[NH+]1CCC(CC1)[*:1]
C=CCOc1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1Cl C=CCO[*:1] CN(C1CC[NH+](CC1)Cc1ccc(c(Cl)c1)[*:1])S(C)(=O)=O
C=CCOc1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1Cl C=CC[*:1] CN(C1CC[NH+](CC1)Cc1ccc(O[*:1])c(Cl)c1)S(C)(=O)=O
CCN(CC)c1ncc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)s1 CCN(CC)[*:1] c1nc(sc1CN1CC[C@H](C1)C[NH+]1CCCCC1)[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc2c(cc1Cl)OCCCO2 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])Nc1cc2OCCCOc2cc1Cl
O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCC[C@H](c2cn[nH]c2)C1 c1n[nH]cc1[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)N1CCC[C@H](C1)[*:1]
O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCC[C@H](c2cn[nH]c2)C1 FC(F)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)[*:1])N1CCC[C@@H](C1)c1cn[nH]c1
C[C@H](C(=O)N1CCOCC1)N1CCN(CC(=O)Nc2cc(F)cc(F)c2)CC1 Fc1cc(F)cc(c1)[*:1] C[C@H](C(=O)N1CCOCC1)N1CCN(CC1)CC(=O)N[*:1]
C[C@H](C(=O)N1CCOCC1)N1CCN(CC(=O)Nc2cc(F)cc(F)c2)CC1 O=C(N1CCOCC1)[*:1] C[C@H](N1CCN(CC1)CC(=O)Nc1cc(F)cc(F)c1)[*:1]
Cc1ncccc1NC(=O)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1ncccc1NC(=O)C(=O)N[C@@H](C)C(=O)N[*:1]
Cc1ncccc1NC(=O)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 Cc1ncccc1[*:1] C[C@H](NC(=O)C(=O)N[*:1])C(=O)NCc1ccccc1
Cc1ncccc1NC(=O)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1ncccc1NC(=O)C(=O)N[C@@H](C)C(=O)NC[*:1]
Cc1c(C#N)c([N+](=O)[O-])nn1Cc1cccc(C(F)(F)F)c1 O=[N+]([O-])[*:1] Cc1c(C#N)c(nn1Cc1cccc(c1)C(F)(F)F)[*:1]
Cc1c(C#N)c([N+](=O)[O-])nn1Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1c(C#N)c(nn1Cc1cccc(c1)[*:1])[N+](=O)[O-]
C[C@H]([NH2+][C@@H]1COc2ccccc21)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] C[C@H]([NH2+][C@@H]1COc2ccccc21)c1ccc(cc1)[*:1]
O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCC[*:1]
O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)CC[*:1] O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)N[*:1]
O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NC[*:1]
CCOC(=O)c1c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)sc2c1CCCCC2 CCOC(=O)[*:1] C[C@@H]1CN(CC(=O)Nc2sc3CCCCCc3c2[*:1])C[C@@H](C)O1
COc1ccc(S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)[*:1]
COc1ccc(S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H](C)S(=O)(=O)[*:1])c1ccc(F)cc1
CC[NH+]1CCN(c2ncnc(N3CCCC[C@@H]3C)c2N)CC1 C[C@H]1CCCCN1[*:1] CC[NH+]1CCN(CC1)c1ncnc(c1N)[*:1]
O=Cc1nc(-c2ccccc2)sc1N1CCOCC1 C1CN(CCO1)[*:1] O=Cc1nc(sc1[*:1])-c1ccccc1
O=Cc1nc(-c2ccccc2)sc1N1CCOCC1 c1ccc(cc1)[*:1] O=Cc1nc(sc1N1CCOCC1)[*:1]
COc1ccccc1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 COc1ccccc1[*:1] O=C(NCc1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
COc1ccccc1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] COc1ccccc1C(=O)NCc1ccc(cc1)[*:1]
C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1cccc(-n2ccnc2)c1 O=C(c1ccccc1F)[*:1] C[C@@H](C[*:1])C(=O)NCc1cccc(c1)-n1ccnc1
C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1cccc(-n2ccnc2)c1 Fc1ccccc1[*:1] C[C@@H](CC(=O)[*:1])C(=O)NCc1cccc(c1)-n1ccnc1
C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1cccc(c1)[*:1]
C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)C1=O c1csc(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[C@H](c2ccc3CCCCc3c2)[*:1])C1=O)C1CC1
C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(CC(=O)N[C@H](c2ccc3CCCCc3c2)c2cccs2)C1=O)[*:1]
C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)C1=O c1cc2CCCCc2cc1[*:1] C[C@]1(NC(=O)N(CC(=O)N[C@H](c2cccs2)[*:1])C1=O)C1CC1
COCc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1 COc1ccc(cc1OC)[*:1] COCc1nc2cccnc2n1C1CCN(CC1)C(=O)N[*:1]
COCc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1 COC[*:1] COc1ccc(cc1OC)NC(=O)N1CCC(CC1)n1c(nc2cccnc21)[*:1]
CCC[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)[*:1]
CCC[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)C(=O)OC c1coc(c1)[*:1] CCC[C@@H](NC(=O)[C@@H]1C[C@H]1[*:1])C(=O)OC
CCC[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)[*:1]
O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc(F)cc1 c1csc(c1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)Nc1ccc(F)cc1
O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N[*:1]
Cc1ccc(C)c(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1ccc(C)c(OS(=O)(=O)c2cc(Cl)ccc2[*:1])c1C
CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C)o1 CCOC(=O)CC[*:1] Cc1ccc(o1)[C@H]1CCCN1C(=O)N[C@@H](C)[*:1]
CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@H]1[*:1]
CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C)o1 CCOC(=O)C[*:1] Cc1ccc(o1)[C@H]1CCCN1C(=O)N[C@@H](C)C[*:1]
CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C)o1 CCOC(=O)[*:1] Cc1ccc(o1)[C@H]1CCCN1C(=O)N[C@@H](C)CC[*:1]
CCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[S@@](=O)CC)s1 CC[S@](=O)[*:1] CCc1ccc(s1)S(=O)(=O)N[C@H]1CCCC[C@H]1[*:1]
CCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[S@@](=O)CC)s1 CCc1ccc(s1)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)[*:1]
[O-]C(/C=C/c1ccc(Cl)cc1)=N\c1ncn[nH]1 c1n[nH]c(n1)[*:1] [O-]C(/C=C/c1ccc(Cl)cc1)=N[*:1]
Cc1cc(C(=O)N(C)Cc2ncnn2C)c2c(C)nn(C)c2n1 Cn1ncnc1C[*:1] Cc1cc(C(=O)N(C)[*:1])c2c(C)nn(C)c2n1
Cc1cc(C(=O)N(C)Cc2ncnn2C)c2c(C)nn(C)c2n1 Cn1ncnc1[*:1] Cc1cc(C(=O)N(C)C[*:1])c2c(C)nn(C)c2n1
CC(C)(C)c1nn([C@@H]2CCCC[C@@H]2O)c(N)c1I CC(C)(C)[*:1] Nc1c(I)c(nn1[C@@H]1CCCC[C@@H]1O)[*:1]
COc1ccc(CCNC(=O)c2c[nH]nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CCNC(=O)c1c[nH]nc1[*:1]
COc1ccc(CCNC(=O)c2c[nH]nc2-c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])c1c[nH]nc1-c1ccccc1
CCOCc1ccc(CNC(=O)c2[nH]nc(C3CC3)c2Cl)cc1 CCO[*:1] O=C(NCc1ccc(cc1)C[*:1])c1[nH]nc(c1Cl)C1CC1
CCOCc1ccc(CNC(=O)c2[nH]nc(C3CC3)c2Cl)cc1 C1CC1[*:1] CCOCc1ccc(cc1)CNC(=O)c1[nH]nc(c1Cl)[*:1]
CCOCc1ccc(CNC(=O)c2[nH]nc(C3CC3)c2Cl)cc1 CCOC[*:1] O=C(NCc1ccc(cc1)[*:1])c1[nH]nc(c1Cl)C1CC1
COc1ccc(Cl)cc1CNC(=O)Cc1cccs1 c1csc(c1)[*:1] COc1ccc(Cl)cc1CNC(=O)C[*:1]
COc1ccc(Cl)cc1CNC(=O)Cc1cccs1 c1csc(c1)C[*:1] COc1ccc(Cl)cc1CNC(=O)[*:1]
C/C(C(=O)[O-])=C(\C)C(=O)N[C@@H](C)CCCO O=C([O-])[*:1] CC(C(=O)N[C@@H](C)CCCO)=C(C)[*:1]
C/C(C(=O)[O-])=C(\C)C(=O)N[C@@H](C)CCCO OCCC[*:1] C/C(C(=O)[O-])=C(\C)C(=O)N[C@@H](C)[*:1]
C/C(C(=O)[O-])=C(\C)C(=O)N[C@@H](C)CCCO OCC[*:1] C/C(C(=O)[O-])=C(\C)C(=O)N[C@@H](C)C[*:1]
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)Nc1ccc(S(C)(=O)=O)cc1)C2 CS(=O)(=O)[*:1] CC(C)(C)c1cc(=O)n2C[C@H](CSc2n1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)Nc1ccc(S(C)(=O)=O)cc1)C2 CC(C)(C)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)[C@H]1CSc2nc(cc(=O)n2C1)[*:1]
Cc1nnc(N2CCC(Cc3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Cc1nnc(s1)N1CCC(CC1)C[*:1]
Cc1nnc(N2CCC(Cc3ccccc3)CC2)s1 Cc1nnc(s1)[*:1] c1ccc(cc1)CC1CCN(CC1)[*:1]
COc1cc([C@H]2c3nnnn3CC(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC Fc1ccc(cc1)C[*:1] COc1cc(cc(OC)c1OC)[C@H]1c2nnnn2CC(=O)N1[*:1]
COc1cc([C@H]2c3nnnn3CC(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1c2nnnn2CC(=O)N1C[*:1]
Cc1cc(C)nc(N/C(=[NH+]\C(=O)NC23CC4CC(CC(C4)C2)C3)N2CCN(c3cccc[nH+]3)CC2)n1 Cc1cc(C)nc(n1)[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)/[NH+]=C(\N[*:1])N1CCN(CC1)c1cccc[nH+]1
C[C@@H](NC(=O)Nc1cccc(Cn2cncn2)c1)C(=O)NC(C)(C)C c1ncn(n1)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)C[*:1])C(=O)NC(C)(C)C
C[C@@H](NC(=O)Nc1cccc(Cn2cncn2)c1)C(=O)NC(C)(C)C c1ncn(C[*:1])n1 C[C@@H](NC(=O)Nc1cccc(c1)[*:1])C(=O)NC(C)(C)C
C[C@@H](NC(=O)Nc1cccc(Cn2cncn2)c1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)Cn1cncn1)[*:1]
C[C@@H](NC(=O)Nc1cccc(Cn2cncn2)c1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)Cn1cncn1)C(=O)N[*:1]
CCn1cnnc1CNC(=O)Nc1ccc(C(=O)NC(C)C)cc1 CCn1cnnc1C[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)N[*:1]
CCn1cnnc1CNC(=O)Nc1ccc(C(=O)NC(C)C)cc1 CC(C)[*:1] CCn1cnnc1CNC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCn1cnnc1CNC(=O)Nc1ccc(C(=O)NC(C)C)cc1 CCn1cnnc1[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)NC[*:1]
CCn1cnnc1CNC(=O)Nc1ccc(C(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] CCn1cnnc1CNC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C(=O)N(C)Cc2cccnc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 c1cncc(c1)[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(Br)cc1)C(=O)N(C)C[*:1]
COc1ccc(C(=O)N(C)Cc2cccnc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N(C)Cc1cccnc1
COc1ccc(C(=O)N(C)Cc2cccnc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(Br)cc1)C(=O)N(C)[*:1]
CCC[C@H](C[NH3+])C(=O)NC#N CCC[*:1] N#CNC(=O)[C@@H](C[NH3+])[*:1]
O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)o2)CC1 Clc1ccc(o1)[*:1] O=C(c1ccccc1O)N1CCN(CC1)C[*:1]
O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)o2)CC1 Clc1ccc(C[*:1])o1 O=C(c1ccccc1O)N1CCN(CC1)[*:1]
O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)o2)CC1 Oc1ccccc1[*:1] O=C(N1CCN(CC1)Cc1ccc(Cl)o1)[*:1]
C=CCNC(=O)CSc1nnc2cc(C)c3ccc(OC)cc3n12 C=CC[*:1] COc1ccc2c(C)cc3nnc(SCC(=O)N[*:1])n3c2c1
C=CCNC(=O)CSc1nnc2cc(C)c3ccc(OC)cc3n12 C=CCNC(=O)C[*:1] COc1ccc2c(C)cc3nnc(S[*:1])n3c2c1
C=CCNC(=O)CSc1nnc2cc(C)c3ccc(OC)cc3n12 C=CCNC(=O)CS[*:1] COc1ccc2c(C)cc3nnc(n3c2c1)[*:1]
C=CCNC(=O)CSc1nnc2cc(C)c3ccc(OC)cc3n12 C=CCNC(=O)[*:1] COc1ccc2c(C)cc3nnc(SC[*:1])n3c2c1
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NC[C@@H]2CCCO2)C(=O)[C@@]31C O=C(NC[C@@H]1CCCO1)[*:1] COc1ccc2[nH]c3c(CCN4C(=O)N(C(=O)[C@@]34C)c3ccccc3[*:1])c2c1
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NC[C@@H]2CCCO2)C(=O)[C@@]31C C1CO[C@@H](C1)[*:1] COc1ccc2[nH]c3c(CCN4C(=O)N(C(=O)[C@@]34C)c3ccccc3C(=O)NC[*:1])c2c1
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NC[C@@H]2CCCO2)C(=O)[C@@]31C C1CO[C@@H](C1)C[*:1] COc1ccc2[nH]c3c(CCN4C(=O)N(C(=O)[C@@]34C)c3ccccc3C(=O)N[*:1])c2c1
C[C@@H](C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1)n1cccn1 C[C@@H](n1cccn1)[*:1] O=C(Nc1cc([nH]n1)-c1c(F)cccc1F)[*:1]
C[C@@H](C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)Nc1cc([nH]n1)-c1c(F)cccc1F)[*:1]
CN(Cc1ccc(Cl)c(F)c1)[C@H](C(N)=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(Cc1ccc(Cl)c(F)c1)[C@H](C(N)=O)[*:1]
CN(Cc1ccc(Cl)c(F)c1)[C@H](C(N)=O)c1cccc(F)c1 NC(=O)[*:1] CN(Cc1ccc(Cl)c(F)c1)[C@H](c1cccc(F)c1)[*:1]
C[C@@H](CO)NC(=O)Nc1cccc(Br)c1 C[C@@H](CO)[*:1] O=C(Nc1cccc(Br)c1)N[*:1]
C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccccc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)c1cn(C)nc1-c1ccccc1
C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccccc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)c1cn(C)nc1[*:1]
CC(C)(C)OC(=O)c1ccc(C(=O)NCc2noc(C(C)(C)C)n2)cc1 CC(C)(C)[*:1] CC(C)(C)c1nc(CNC(=O)c2ccc(cc2)C(=O)O[*:1])no1
CC(C)(C)OC(=O)c1ccc(C(=O)NCc2noc(C(C)(C)C)n2)cc1 CC(C)(C)[*:1] CC(C)(C)OC(=O)c1ccc(cc1)C(=O)NCc1noc(n1)[*:1]
CC(C)(C)OC(=O)c1ccc(C(=O)NCc2noc(C(C)(C)C)n2)cc1 CC(C)(C)OC(=O)[*:1] CC(C)(C)c1nc(CNC(=O)c2ccc(cc2)[*:1])no1
O=C([O-])[C@@]1([C@@H]2CCO[C@@]3(CCOC3)C2)CCOC1 O=C([O-])[*:1] C1C[C@@]2(CO1)C[C@@H](CCO2)[C@]1(CCOC1)[*:1]
COC(=O)[C@@]1([NH3+])CCC[C@@H](Sc2ccccc2F)C1 COC(=O)[*:1] [NH3+][C@]1(CCC[C@H](C1)Sc1ccccc1F)[*:1]
CCn1ncc(C[NH2+]C(C)C)c1C(F)(F)F CC(C)[*:1] CCn1ncc(C[NH2+][*:1])c1C(F)(F)F
CCn1ncc(C[NH2+]C(C)C)c1C(F)(F)F FC(F)(F)[*:1] CCn1ncc(C[NH2+]C(C)C)c1[*:1]
COc1ccc(CC(=O)N(Cc2cccn2C)C2CC2)cc1OC C1CC1[*:1] COc1ccc(cc1OC)CC(=O)N(Cc1cccn1C)[*:1]
COc1ccc(CC(=O)N(Cc2cccn2C)C2CC2)cc1OC Cn1cccc1[*:1] COc1ccc(cc1OC)CC(=O)N(C[*:1])C1CC1
COc1ccc(CC(=O)N(Cc2cccn2C)C2CC2)cc1OC Cn1cccc1C[*:1] COc1ccc(cc1OC)CC(=O)N(C1CC1)[*:1]
Cc1ccc(NC(=O)C(=O)NCCc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C(=O)NCC[*:1])c(C)c1
Cc1ccc(NC(=O)C(=O)NCCc2ccccc2)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)C(=O)NC[*:1])c(C)c1
CCc1cccc(C)c1NC(=O)c1ccc(N2CCNC2=O)cc1 O=C1NCCN1[*:1] CCc1cccc(C)c1NC(=O)c1ccc(cc1)[*:1]
O=C(CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)NC1CC1 O=C(NC1CC1)[*:1] O=C1NC[C@]2(CCC(=O)N(CC2)C[*:1])Oc2ccccc21
O=C(CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)NC1CC1 C1CC1[*:1] O=C(CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)N[*:1]
O=C(CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)NC1CC1 O=C(C[*:1])NC1CC1 O=C1NC[C@]2(CCC(=O)N(CC2)[*:1])Oc2ccccc21
CCOC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 CCOC(=O)[*:1] O=S1(=O)C[C@H]2N=C(SC[*:1])N(c3ccc(Br)cc3)[C@H]2C1
CCOC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 CCOC(=O)C[*:1] O=S1(=O)C[C@H]2N=C(S[*:1])N(c3ccc(Br)cc3)[C@H]2C1
CCOC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCOC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CC[C@H](C(=O)Nc1ccccc1F)N(c1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1ccccc1F)N(S(C)(=O)=O)[*:1]
CC[C@H](C(=O)Nc1ccccc1F)N(c1ccccc1)S(C)(=O)=O Fc1ccccc1[*:1] CC[C@H](C(=O)N[*:1])N(c1ccccc1)S(C)(=O)=O
O=C(NCc1ccc(Cl)nc1)N1CC[C@H]([NH+]2CCCC2)C1 Clc1ccc(cn1)[*:1] O=C(NC[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
COC(=O)c1sccc1CN1CCN(c2cccc(F)c2C#N)CC1 COC(=O)[*:1] N#Cc1c(F)cccc1N1CCN(CC1)Cc1ccsc1[*:1]
Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)NC4CCC(C)CC4)cc32)no1 Cc1nc(no1)[*:1] CC1CCC(CC1)NS(=O)(=O)c1ccc2OCC(=O)N(C[*:1])c2c1
Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)NC4CCC(C)CC4)cc32)no1 Cc1nc(C[*:1])no1 CC1CCC(CC1)NS(=O)(=O)c1ccc2OCC(=O)N(c2c1)[*:1]
Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)NC4CCC(C)CC4)cc32)no1 CC1CCC(CC1)[*:1] Cc1nc(CN2C(=O)COc3ccc(cc32)S(=O)(=O)N[*:1])no1
CCOC(OCC)c1cccc([C@@H](N)C[NH3+])c1 CCO[*:1] CCOC(c1cccc(c1)[C@@H](N)C[NH3+])[*:1]
Cc1cc(NC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)n(C)n1 Fc1ccc(cc1)[*:1] Cc1cc(NC(=O)Nc2cccc(c2)OC[*:1])n(C)n1
Cc1cc(NC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(Nc1cccc(c1)OCc1ccc(F)cc1)N[*:1]
Cc1cc(NC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)n(C)n1 Fc1ccc(cc1)C[*:1] Cc1cc(NC(=O)Nc2cccc(c2)O[*:1])n(C)n1
C/C=C\COC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 CC=C[*:1] CN(CC(=O)OC[*:1])S(=O)(=O)c1ccc(Br)cc1
C/C=C\COC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 C/C=C\C[*:1] CN(CC(=O)O[*:1])S(=O)(=O)c1ccc(Br)cc1
COc1ccc(-n2cc(C[NH2+]Cc3cn(C)nc3C)c(-c3ccccc3Cl)n2)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)cc1C[NH2+]Cc1cn(nc1-c1ccccc1Cl)[*:1]
COc1ccc(-n2cc(C[NH2+]Cc3cn(C)nc3C)c(-c3ccccc3Cl)n2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-n1cc(C[NH2+]Cc2cn(C)nc2C)c(n1)[*:1]
COc1ccc(-n2cc(C[NH2+]Cc3cn(C)nc3C)c(-c3ccccc3Cl)n2)cc1 Cc1nn(C)cc1[*:1] COc1ccc(cc1)-n1cc(C[NH2+]C[*:1])c(n1)-c1ccccc1Cl
Cc1cc2s/c(=N/C(=O)c3c(C)cnn3C)n(C)c2cc1C Cc1cnn(C)c1[*:1] Cc1cc2s/c(=N/C(=O)[*:1])n(C)c2cc1C
O=C(NCc1csc(=O)[nH]1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O O=c1[nH]c(cs1)C[*:1] O=C(N[*:1])[C@H]1CCN(C1=O)c1ccc(Cl)cc1
O=C(NCc1csc(=O)[nH]1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O O=c1[nH]c(cs1)[*:1] O=C(NC[*:1])[C@H]1CCN(C1=O)c1ccc(Cl)cc1
O=C(NCc1csc(=O)[nH]1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] O=C(NCc1csc(=O)[nH]1)[C@H]1CCN(C1=O)[*:1]
O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1[*:1]
O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1N=C2C(=C[*:1])CCC[C@H]2[C@@H]1c1ccco1
CCNC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2C)C2CC2)c1 CCNC(=O)[*:1] Cc1ccccc1[C@H]([NH2+]Cc1cccc(c1)[*:1])C1CC1
CCNC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2C)C2CC2)c1 Cc1ccccc1[*:1] CCNC(=O)c1cccc(c1)C[NH2+][C@@H](C1CC1)[*:1]
CCNC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2C)C2CC2)c1 C1CC1[*:1] CCNC(=O)c1cccc(c1)C[NH2+][C@@H](c1ccccc1C)[*:1]
CNS(=O)(=O)c1ccc(/C=C/C(=O)N2[C@@H](C)COC[C@H]2C)cc1 CNS(=O)(=O)[*:1] C[C@H]1COC[C@@H](C)N1C(=O)/C=C/c1ccc(cc1)[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2OCC(=O)N(C)c2c1)[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccccc1 C[C@H](c1ccccc1)[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)C(=O)N[*:1]
Cc1cc(C)c(OCc2cnc(Cl)s2)c([N+](=O)[O-])c1 Clc1ncc(s1)[*:1] Cc1cc(C)c(OC[*:1])c(c1)[N+](=O)[O-]
Cc1cc(C)c(OCc2cnc(Cl)s2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C)c(OCc2cnc(Cl)s2)c(c1)[*:1]
CCC[NH+]1CCC(N(C)C(=O)c2nc(SC)n3ccccc23)CC1 CCC[*:1] CSc1nc(C(=O)N(C)C2CC[NH+](CC2)[*:1])c2ccccn12
C[C@H]1C[C@](O)([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCO1 CS(=O)(=O)[*:1] C[C@H]1C[C@@](O)(CCO1)[C@@H]1CCC[C@H](C1)[*:1]
CCN(Cc1ccccc1)S(=O)(=O)[C@H]1C=NC(C(=O)OC)=C1 COC(=O)[*:1] CCN(Cc1ccccc1)S(=O)(=O)[C@H]1C=NC(=C1)[*:1]
CCN(Cc1ccccc1)S(=O)(=O)[C@H]1C=NC(C(=O)OC)=C1 c1ccc(cc1)[*:1] CCN(C[*:1])S(=O)(=O)[C@H]1C=NC(=C1)C(=O)OC
CCN(Cc1ccccc1)S(=O)(=O)[C@H]1C=NC(C(=O)OC)=C1 c1ccc(cc1)C[*:1] CCN(S(=O)(=O)[C@H]1C=NC(=C1)C(=O)OC)[*:1]
CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)C(=O)Nc1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CCc1nc2[C@H](CCCn2n1)[NH2+][C@H](C)C(=O)N[*:1]
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cc1n[nH]c2ccccc12 C[S@@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)Cc1n[nH]c2ccccc12
CCOC(=O)C1=NN(c2ccc(Br)cc2F)[C@](C)(C(=O)[O-])C1 O=C([O-])[*:1] CCOC(=O)C1C[C@@](C)(N(N=1)c1ccc(Br)cc1F)[*:1]
O=C(NCCCCN1CCOCC1)c1cccc(N2CCCNC2=O)c1 C1CN(CCO1)C[*:1] O=C(NCCC[*:1])c1cccc(c1)N1CCCNC1=O
O=C(NCCCCN1CCOCC1)c1cccc(N2CCCNC2=O)c1 C1CN(CCO1)CC[*:1] O=C(NCC[*:1])c1cccc(c1)N1CCCNC1=O
O=C(NCCCCN1CCOCC1)c1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] O=C(NCCCCN1CCOCC1)c1cccc(c1)[*:1]
O=C(NCCCCN1CCOCC1)c1cccc(N2CCCNC2=O)c1 C1CN(CCO1)[*:1] O=C(NCCCC[*:1])c1cccc(c1)N1CCCNC1=O
Cn1c(=O)cc(N2CC[NH+](CCOc3ccc(F)cc3)CC2)[nH]c1=O Fc1ccc(cc1)O[*:1] Cn1c(=O)cc([nH]c1=O)N1CC[NH+](CC1)CC[*:1]
Cn1c(=O)cc(N2CC[NH+](CCOc3ccc(F)cc3)CC2)[nH]c1=O Fc1ccc(cc1)[*:1] Cn1c(=O)cc([nH]c1=O)N1CC[NH+](CCO[*:1])CC1
CCc1nc(Cn2nc(C3CC[NH2+]CC3)n(-c3ccccc3)c2=O)cs1 c1ccc(cc1)[*:1] CCc1nc(cs1)Cn1nc(C2CC[NH2+]CC2)n(c1=O)[*:1]
CCc1nc(Cn2nc(C3CC[NH2+]CC3)n(-c3ccccc3)c2=O)cs1 CCc1nc(cs1)[*:1] O=c1n(C[*:1])nc(C2CC[NH2+]CC2)n1-c1ccccc1
CCc1nc(Cn2nc(C3CC[NH2+]CC3)n(-c3ccccc3)c2=O)cs1 CCc1nc(cs1)C[*:1] O=c1n(nc(C2CC[NH2+]CC2)n1-c1ccccc1)[*:1]
O=C(CCCO)Nc1ccccc1CO OCCC[*:1] O=C(Nc1ccccc1CO)[*:1]
O=C(CCCO)Nc1ccccc1CO OCC[*:1] O=C(C[*:1])Nc1ccccc1CO
COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1Cl Clc1ccccc1[*:1] COc1ccc(Br)cc1C(=O)NC(=S)N[*:1]
CN(CC(C)(CO)CO)c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] CN(CC(C)(CO)CO)c1ccc(cn1)[*:1]
CN(CC(C)(CO)CO)c1ccc(C(F)(F)F)cn1 CC(CO)(CO)[*:1] CN(C[*:1])c1ccc(cn1)C(F)(F)F
COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1 c1coc(c1)CN[*:1] COc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1[*:1]
COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)[*:1]
COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1NC[*:1]
COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N[*:1]
COCC1CCN(c2ccc(C#N)cn2)CC1 COC[*:1] N#Cc1ccc(nc1)N1CCC(CC1)[*:1]
Cc1ccc(OCC(=O)NNC(=O)NCc2ccncc2)cc1C c1cc(ccn1)C[*:1] Cc1ccc(cc1C)OCC(=O)NNC(=O)N[*:1]
Cc1ccc(OCC(=O)NNC(=O)NCc2ccncc2)cc1C Cc1ccc(cc1C)[*:1] O=C(CO[*:1])NNC(=O)NCc1ccncc1
Cc1ccc(OCC(=O)NNC(=O)NCc2ccncc2)cc1C c1cc(ccn1)[*:1] Cc1ccc(cc1C)OCC(=O)NNC(=O)NC[*:1]
CCN(Cc1c(Cl)nc2ccccn12)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(Cc1c(Cl)nc2ccccn12)[C@@H](C)[*:1]
CCN(Cc1c(Cl)nc2ccccn12)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(Cc1c(Cl)nc2ccccn12)[C@@H](C)C[*:1]
CCN(Cc1c(Cl)nc2ccccn12)[C@@H](C)CS(C)(=O)=O C[C@@H](CS(C)(=O)=O)[*:1] CCN(Cc1c(Cl)nc2ccccn12)[*:1]
O=C(CCc1ncc(-c2ccccc2F)o1)Oc1ccc(F)cc1 Fc1ccccc1[*:1] O=C(CCc1ncc(o1)[*:1])Oc1ccc(F)cc1
O=C(CCc1ncc(-c2ccccc2F)o1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCc1ncc(o1)-c1ccccc1F)O[*:1]
Cc1cc(-c2cn3cc(C(=O)NC[C@@H](O)CO)nc3c(=O)n2C)c(C)o1 Cc1cc(c(C)o1)[*:1] Cn1c(cn2cc(nc2c1=O)C(=O)NC[C@@H](O)CO)[*:1]
Cc1cc(-c2cn3cc(C(=O)NC[C@@H](O)CO)nc3c(=O)n2C)c(C)o1 OC[C@H](O)C[*:1] Cc1cc(c(C)o1)-c1cn2cc(nc2c(=O)n1C)C(=O)N[*:1]
Cc1cc(-c2cn3cc(C(=O)NC[C@@H](O)CO)nc3c(=O)n2C)c(C)o1 O=C(NC[C@@H](O)CO)[*:1] Cc1cc(c(C)o1)-c1cn2cc(nc2c(=O)n1C)[*:1]
Cc1cc(-c2cn3cc(C(=O)NC[C@@H](O)CO)nc3c(=O)n2C)c(C)o1 OC[C@H](O)[*:1] Cc1cc(c(C)o1)-c1cn2cc(nc2c(=O)n1C)C(=O)NC[*:1]
CC(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)[C@@H](C)C1 CC(C)[*:1] C[C@H]([NH2+][C@@H]1CCN(C[C@@H]1C)C(=O)[*:1])c1ccc(F)c(Cl)c1
CC[C@H](CNC(=O)Cn1c(=O)oc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CNC(=O)Cn1c(=O)oc2ccccc21)[*:1]
O=C(NC(=S)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccccc1Br Brc1ccccc1[*:1] O=C(NC(=S)Nc1ccc2nn(nc2c1)-c1ccc(Cl)cc1)[*:1]
O=C(NC(=S)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccccc1Br Clc1ccc(cc1)[*:1] O=C(NC(=S)Nc1ccc2nn(nc2c1)[*:1])c1ccccc1Br
CC(C)n1c([C@@H](C)NC(=O)[C@H](C)Sc2ccccn2)nc2ccccc21 c1ccc(nc1)S[*:1] CC(C)n1c(nc2ccccc21)[C@@H](C)NC(=O)[C@H](C)[*:1]
CC(C)n1c([C@@H](C)NC(=O)[C@H](C)Sc2ccccn2)nc2ccccc21 CC(C)[*:1] C[C@H](Sc1ccccn1)C(=O)N[C@H](C)c1nc2ccccc2n1[*:1]
CC(C)n1c([C@@H](C)NC(=O)[C@H](C)Sc2ccccn2)nc2ccccc21 c1ccc(nc1)[*:1] CC(C)n1c(nc2ccccc21)[C@@H](C)NC(=O)[C@H](C)S[*:1]
Cc1ccccc1CSCCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 Cc1ccccc1[*:1] CS(=O)(=O)N1CC[C@H](Oc2ccc(Cl)cc21)C(=O)NCCSC[*:1]
Cc1ccccc1CSCCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 Cc1ccccc1CSC[*:1] CS(=O)(=O)N1CC[C@H](Oc2ccc(Cl)cc21)C(=O)NC[*:1]
Cc1ccccc1CSCCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 Cc1ccccc1C[*:1] CS(=O)(=O)N1CC[C@H](Oc2ccc(Cl)cc21)C(=O)NCCS[*:1]
Cc1ccccc1CSCCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 Cc1ccccc1CS[*:1] CS(=O)(=O)N1CC[C@H](Oc2ccc(Cl)cc21)C(=O)NCC[*:1]
CCC(CC)NC(=O)[C@H](C)Sc1nncn1-c1ccc(C)c(Cl)c1 CCC(CC)NC(=O)[*:1] Cc1ccc(cc1Cl)-n1cnnc1S[C@@H](C)[*:1]
CCC(CC)NC(=O)[C@H](C)Sc1nncn1-c1ccc(C)c(Cl)c1 Cc1ccc(cc1Cl)[*:1] CCC(CC)NC(=O)[C@H](C)Sc1nncn1[*:1]
CCC(CC)NC(=O)[C@H](C)Sc1nncn1-c1ccc(C)c(Cl)c1 CCC(CC)[*:1] Cc1ccc(cc1Cl)-n1cnnc1S[C@@H](C)C(=O)N[*:1]
Cc1cccc(CNS(=O)(=O)c2ccc(CCCCl)cc2)c1 Cc1cccc(c1)[*:1] O=S(=O)(NC[*:1])c1ccc(cc1)CCCCl
Cc1cccc(CNS(=O)(=O)c2ccc(CCCCl)cc2)c1 ClCCC[*:1] Cc1cccc(c1)CNS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cccc(CNS(=O)(=O)c2ccc(CCCCl)cc2)c1 ClCC[*:1] Cc1cccc(c1)CNS(=O)(=O)c1ccc(cc1)C[*:1]
CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3c(C)noc3C)ccc21 CCC[*:1] Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3c(C)noc3C)ccc21 Cc1noc(C)c1[*:1] CCCN1C(=O)CCc2cc(ccc21)[N-]S(=O)(=O)[*:1]
O=C(c1cccnc1)N1CC[NH+]([C@@H]2CCC[C@H](C3CC3)C2)CC1 C1CC1[*:1] O=C(c1cccnc1)N1CC[NH+](CC1)[C@@H]1CCC[C@H](C1)[*:1]
O=C(c1cccnc1)N1CC[NH+]([C@@H]2CCC[C@H](C3CC3)C2)CC1 c1cncc(c1)[*:1] O=C(N1CC[NH+](CC1)[C@@H]1CCC[C@@H](C1)C1CC1)[*:1]
O=C(CCl)N(CC(F)(F)F)c1ccc(Cl)cc1 FC(F)(F)[*:1] O=C(CCl)N(C[*:1])c1ccc(Cl)cc1
O=C(CCl)N(CC(F)(F)F)c1ccc(Cl)cc1 FC(F)(F)C[*:1] O=C(CCl)N(c1ccc(Cl)cc1)[*:1]
O=C(c1csc(-c2ccncc2)n1)N1CCN(c2ncccn2)CC1 c1cc(ccn1)[*:1] O=C(c1csc(n1)[*:1])N1CCN(CC1)c1ncccn1
O=C(c1csc(-c2ccncc2)n1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1csc(n1)-c1ccncc1)N1CCN(CC1)[*:1]
C[C@H](CNC(=O)NCc1ccc2c(c1)CCC2)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)NCc1ccc2CCCc2c1)[*:1]
C[C@H](CNC(=O)NCc1ccc2c(c1)CCC2)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)NCc1ccc2CCCc2c1)C[*:1]
O=C(N/N=C/c1cccc(F)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] O=C(N/N=C/c1cccc(F)c1)c1nn(C[*:1])c(=O)c2ccccc12
O=C(N/N=C/c1cccc(F)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 Fc1cccc(c1)[*:1] O=C(NN=C[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
O=C(N/N=C/c1cccc(F)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)C[*:1] O=C(N/N=C/c1cccc(F)c1)c1nn(c(=O)c2ccccc12)[*:1]
O=C(CCc1nnc(-c2cc3ccccc3[nH]2)o1)N1CCCCO1 O=C(N1CCCCO1)[*:1] c1ccc2[nH]c(cc2c1)-c1nnc(CC[*:1])o1
C#CCN(CC=C)Cc1nc(-c2ccsc2)oc1C C=CC[*:1] C#CCN(Cc1nc(oc1C)-c1ccsc1)[*:1]
C#CCN(CC=C)Cc1nc(-c2ccsc2)oc1C C#CC[*:1] C=CCN(Cc1nc(oc1C)-c1ccsc1)[*:1]
C#CCN(CC=C)Cc1nc(-c2ccsc2)oc1C c1cc(cs1)[*:1] C#CCN(CC=C)Cc1nc(oc1C)[*:1]
COc1ccccc1CNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 COc1ccccc1C[*:1] O=C(NCc1n[nH]c(=O)c2ccccc12)C(=O)N[*:1]
COc1ccccc1CNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 COc1ccccc1[*:1] O=C(NCc1n[nH]c(=O)c2ccccc12)C(=O)NC[*:1]
COc1ccc(-c2cnn3c(C)cc(C)nc23)cc1S(=O)(=O)Nc1ccccc1Br Brc1ccccc1[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])-c1cnn2c(C)cc(C)nc12
CCCCc1cn(C[C@H]2CCCN(C(=O)c3c(C)cc(C)[nH]c3=O)C2)nn1 CCCC[*:1] Cc1cc(C)c(C(=O)N2CCC[C@@H](C2)Cn2cc(nn2)[*:1])c(=O)[nH]1
CCCCc1cn(C[C@H]2CCCN(C(=O)c3c(C)cc(C)[nH]c3=O)C2)nn1 CCC[*:1] Cc1cc(C)c(C(=O)N2CCC[C@@H](C2)Cn2cc(C[*:1])nn2)c(=O)[nH]1
CCCCc1cn(C[C@H]2CCCN(C(=O)c3c(C)cc(C)[nH]c3=O)C2)nn1 CCCCc1cn(nn1)[*:1] Cc1cc(C)c(C(=O)N2CCC[C@@H](C2)C[*:1])c(=O)[nH]1
CCCCc1cn(C[C@H]2CCCN(C(=O)c3c(C)cc(C)[nH]c3=O)C2)nn1 Cc1cc(C)c(c(=O)[nH]1)[*:1] CCCCc1cn(C[C@H]2CCCN(C2)C(=O)[*:1])nn1
Cc1ccc([C@](C)(O)CNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)o1 Cc1ccc(o1)[*:1] C[C@](O)(CNC(=O)N[C@H]1CCN(C1=O)c1ccccc1)[*:1]
Cc1ccc([C@](C)(O)CNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)N[C@H]1CCN(C1=O)[*:1]
Cc1cc(F)cc(NCc2ccc(F)cc2/C(N)=N/O)c1 N/C(=N\O)[*:1] Cc1cc(F)cc(c1)NCc1ccc(F)cc1[*:1]
C[C@@H]1O[C@H]2c3cccc4cccc(c34)[C@H]2N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1O[C@H]2c3cccc4cccc(c34)[C@H]2N1[*:1]
CN(C)c1cccc(C(=O)NNC(=O)c2ccc3ccccc3n2)c1 CN(C)[*:1] O=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(c1)[*:1]
O=C(C1CCC(Nc2ccncc2[N+](=O)[O-])CC1)N1CCSCC1 O=C(N1CCSCC1)[*:1] O=[N+]([O-])c1cnccc1NC1CCC(CC1)[*:1]
O=C(C1CCC(Nc2ccncc2[N+](=O)[O-])CC1)N1CCSCC1 O=[N+]([O-])[*:1] O=C(C1CCC(CC1)Nc1ccncc1[*:1])N1CCSCC1
Cc1ccc(C(=O)C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)C(=O)C(=O)NC[C@H]1CC[C@@H](O1)[*:1]
Cc1ccc(C(=O)C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1 Cc1ccc(cc1)[*:1] CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)[*:1])O1
CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCCN(C1)C(=O)O[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C Clc1cccc(c1)O[*:1] C[C@@H](C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C
C[C@H](NC(=O)CCc1ccsc1)c1cccc(S(N)(=O)=O)c1 c1cc(cs1)[*:1] C[C@H](NC(=O)CC[*:1])c1cccc(c1)S(N)(=O)=O
C[C@H](NC(=O)CCc1ccsc1)c1cccc(S(N)(=O)=O)c1 c1cc(cs1)C[*:1] C[C@H](NC(=O)C[*:1])c1cccc(c1)S(N)(=O)=O
C[C@H](NC(=O)CCc1ccsc1)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@H](NC(=O)CCc1ccsc1)c1cccc(c1)[*:1]
C[C@H](NC(=O)CCc1ccsc1)c1cccc(S(N)(=O)=O)c1 c1cc(cs1)CC[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)S(N)(=O)=O
O=c1c2cnn(-c3ccc(F)cc3)c2ncn1C/C=C/c1ccccc1 Fc1ccc(cc1)[*:1] O=c1c2cnn(c2ncn1C/C=C/c1ccccc1)[*:1]
O=c1c2cnn(-c3ccc(F)cc3)c2ncn1C/C=C/c1ccccc1 c1ccc(cc1)[*:1] O=c1c2cnn(-c3ccc(F)cc3)c2ncn1CC=C[*:1]
O=c1c2cnn(-c3ccc(F)cc3)c2ncn1C/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 O=c1c2cnn(-c3ccc(F)cc3)c2ncn1C[*:1]
O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)N[*:1]
O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1ccccc1Br Clc1ccc(cc1)[*:1] O=C(CSc1ncnc2c1cnn2[*:1])Nc1ccccc1Br
C[NH2+][C@@H](c1ccc(-c2ccccc2)cc1)[C@H]1CSCCO1 c1ccc(cc1)[*:1] C[NH2+][C@@H](c1ccc(cc1)[*:1])[C@H]1CSCCO1
C[C@@H](NC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)C(=O)NC1CC1 c1ccc2c(c[nH]c2c1)C[*:1] C[C@@H](NC(=O)N1CCN(CC1)C(=O)CC[*:1])C(=O)NC1CC1
C[C@@H](NC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)C(=O)NC1CC1 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)C(=O)CCC[*:1])C(=O)NC1CC1
C[C@@H](NC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)C(=O)NC1CC1 C1CC1[*:1] C[C@@H](NC(=O)N1CCN(CC1)C(=O)CCCc1c[nH]c2ccccc12)C(=O)N[*:1]
C[C@@H](NC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)C(=O)CCCc1c[nH]c2ccccc12)[*:1]
C=CCNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 C=CCNC(=O)[*:1] c1ccn2cc(COc3ccc(cc3)[*:1])nc2c1
C=CCNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 C=CC[*:1] O=C(N[*:1])c1ccc(cc1)OCc1cn2ccccc2n1
O=[S@@](CC(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=[S@@](CC(O)(c1ccccc1)[*:1])c1ccc(Cl)cc1
O=[S@@](CC(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=[S@@](CC(O)(c1ccccc1)c1ccccc1)[*:1]
CCC[NH2+][C@H](Cc1ccccc1Cl)c1ccc(F)cn1 CCC[*:1] Fc1ccc(nc1)[C@@H](Cc1ccccc1Cl)[NH2+][*:1]
CCCCNC(=S)NC(=O)c1ccccc1Br CCCC[*:1] O=C(NC(=S)N[*:1])c1ccccc1Br
CCCCNC(=S)NC(=O)c1ccccc1Br CCC[*:1] O=C(NC(=S)NC[*:1])c1ccccc1Br
CC[C@@H](CO)NS(=O)(=O)c1cc(OC)c(Cl)cc1OC CC[C@@H](CO)[*:1] COc1cc(c(cc1Cl)OC)S(=O)(=O)N[*:1]
Cc1ccc(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)s1 Cc1ccc(s1)[*:1] O=C(C[*:1])Nc1cccc(c1)C[NH+]1CCCCC1
Cc1ccc(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)s1 Cc1ccc(C[*:1])s1 O=C(Nc1cccc(c1)C[NH+]1CCCCC1)[*:1]
COCCSCCC(=O)NC(N)=O COC[*:1] NC(=O)NC(=O)CCSC[*:1]
COCCSCCC(=O)NC(N)=O COCC[*:1] NC(=O)NC(=O)CCS[*:1]
CCOC(=O)C[C@H](C(C)C)N1CCOCC1 CCOC(=O)[*:1] CC(C)[C@@H](C[*:1])N1CCOCC1
CCOC(=O)C[C@H](C(C)C)N1CCOCC1 CC(C)[*:1] CCOC(=O)C[C@H](N1CCOCC1)[*:1]
Cc1ccc(NC(=O)CSc2ccccc2)cc1NC(=O)c1ccncc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)c1ccncc1)NC(=O)CS[*:1]
Cc1ccc(NC(=O)CSc2ccccc2)cc1NC(=O)c1ccncc1 O=C(N[*:1])c1ccncc1 Cc1ccc(cc1[*:1])NC(=O)CSc1ccccc1
Cc1ccc(NC(=O)CSc2ccccc2)cc1NC(=O)c1ccncc1 c1ccc(cc1)SC[*:1] Cc1ccc(cc1NC(=O)c1ccncc1)NC(=O)[*:1]
Cc1ccc(NC(=O)CSc2ccccc2)cc1NC(=O)c1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)[*:1])NC(=O)CSc1ccccc1
Cc1ccc(NC(=O)CSc2ccccc2)cc1NC(=O)c1ccncc1 c1ccc(cc1)S[*:1] Cc1ccc(cc1NC(=O)c1ccncc1)NC(=O)C[*:1]
Cc1cscc1C[NH2+][C@@H](C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1cscc1C[NH2+][C@@H](C)C(=O)N[*:1]
Cc1cscc1C[NH2+][C@@H](C)C(=O)NC1CCCCC1 Cc1cscc1[*:1] C[C@H]([NH2+]C[*:1])C(=O)NC1CCCCC1
Cc1cc(C(=O)N2CC(C(=O)NCC(C)C)C2)no1 Cc1cc(no1)[*:1] CC(C)CNC(=O)C1CN(C1)C(=O)[*:1]
Cc1cc(C(=O)N2CC(C(=O)NCC(C)C)C2)no1 CC(C)C[*:1] Cc1cc(no1)C(=O)N1CC(C1)C(=O)N[*:1]
Cc1cc(C(=O)N2CC(C(=O)NCC(C)C)C2)no1 CC(C)[*:1] Cc1cc(no1)C(=O)N1CC(C1)C(=O)NC[*:1]
COc1ccc2c(-c3cccnc3)cc(SCCC#N)nc2c1 N#CCC[*:1] COc1ccc2c(cc(nc2c1)S[*:1])-c1cccnc1
COc1ccc2c(-c3cccnc3)cc(SCCC#N)nc2c1 N#CC[*:1] COc1ccc2c(cc(nc2c1)SC[*:1])-c1cccnc1
COc1ccc2c(-c3cccnc3)cc(SCCC#N)nc2c1 N#CCCS[*:1] COc1ccc2c(cc(nc2c1)[*:1])-c1cccnc1
COc1ccc2c(-c3cccnc3)cc(SCCC#N)nc2c1 c1cncc(c1)[*:1] COc1ccc2c(cc(nc2c1)SCCC#N)[*:1]
C#CCn1c([C@H]2CC(=O)N(CCOC)C2)nc2ccccc21 COC[*:1] C#CCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)C[*:1]
C#CCn1c([C@H]2CC(=O)N(CCOC)C2)nc2ccccc21 COCC[*:1] C#CCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
C#CCn1c([C@H]2CC(=O)N(CCOC)C2)nc2ccccc21 C#CC[*:1] COCCN1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
CCc1c(C)sc(NC(=O)c2ccc(F)cc2Cl)c1C(=O)N1CCOCC1 Fc1ccc(c(Cl)c1)[*:1] CCc1c(C)sc(NC(=O)[*:1])c1C(=O)N1CCOCC1
CCc1c(C)sc(NC(=O)c2ccc(F)cc2Cl)c1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CCc1c(C)sc(NC(=O)c2ccc(F)cc2Cl)c1[*:1]
CCCNC(=O)c1c(C)c(N2CCOCC2)c(C)n1Cc1ccc(F)cc1F CCCNC(=O)[*:1] Cc1c(c(C)n(Cc2ccc(F)cc2F)c1[*:1])N1CCOCC1
CCCNC(=O)c1c(C)c(N2CCOCC2)c(C)n1Cc1ccc(F)cc1F Fc1ccc(C[*:1])c(F)c1 CCCNC(=O)c1c(C)c(c(C)n1[*:1])N1CCOCC1
CCCNC(=O)c1c(C)c(N2CCOCC2)c(C)n1Cc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CCCNC(=O)c1c(C)c(c(C)n1C[*:1])N1CCOCC1
CCCNC(=O)c1c(C)c(N2CCOCC2)c(C)n1Cc1ccc(F)cc1F C1CN(CCO1)[*:1] CCCNC(=O)c1c(C)c(c(C)n1Cc1ccc(F)cc1F)[*:1]
CCCNC(=O)c1c(C)c(N2CCOCC2)c(C)n1Cc1ccc(F)cc1F CCC[*:1] Cc1c(c(C)n(Cc2ccc(F)cc2F)c1C(=O)N[*:1])N1CCOCC1
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(c1)O[*:1]
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OC(F)(F)F)c1 Cc1ccccc1[*:1] N#C/C(=C/c1cccc(c1)OC(F)(F)F)C(=O)N[*:1]
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(c1)[*:1]
Cc1n[nH+]c(N2CCO[C@H](C(N)=S)C2)c2ccccc12 NC(=S)[*:1] Cc1n[nH+]c(c2ccccc12)N1CCO[C@H](C1)[*:1]
O=C(Nc1ccc2c(c1)COC2)Nc1cnn(Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2COCc2c1)Nc1cnn(c1)C[*:1]
O=C(Nc1ccc2c(c1)COC2)Nc1cnn(Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)C[*:1] O=C(Nc1ccc2COCc2c1)Nc1cnn(c1)[*:1]
Cc1ccc(NC(=O)c2sc(=S)n3c2nc([O-])c2cc4c(cc23)OCO4)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])c1sc(=S)n2c1nc([O-])c1cc3OCOc3cc12
NC(=O)C[NH+](Cc1ccccc1)Cc1c[nH]nc1-c1cccnc1 c1cncc(c1)[*:1] NC(=O)C[NH+](Cc1ccccc1)Cc1c[nH]nc1[*:1]
NC(=O)C[NH+](Cc1ccccc1)Cc1c[nH]nc1-c1cccnc1 NC(=O)[*:1] c1ccc(cc1)C[NH+](Cc1c[nH]nc1-c1cccnc1)C[*:1]
NC(=O)C[NH+](Cc1ccccc1)Cc1c[nH]nc1-c1cccnc1 c1ccc(cc1)C[*:1] NC(=O)C[NH+](Cc1c[nH]nc1-c1cccnc1)[*:1]
NC(=O)C[NH+](Cc1ccccc1)Cc1c[nH]nc1-c1cccnc1 c1ccc(cc1)[*:1] NC(=O)C[NH+](Cc1c[nH]nc1-c1cccnc1)C[*:1]
NC(=O)C[NH+](Cc1ccccc1)Cc1c[nH]nc1-c1cccnc1 NC(=O)C[*:1] c1ccc(cc1)C[NH+](Cc1c[nH]nc1-c1cccnc1)[*:1]
Cc1c2c(cc3c1O/C(=C\c1ccccc1Br)C3=O)CN(Cc1cccnc1)CO2 c1cncc(c1)[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3ccccc3Br)Oc21)C[*:1]
Cc1c2c(cc3c1O/C(=C\c1ccccc1Br)C3=O)CN(Cc1cccnc1)CO2 Brc1ccccc1[*:1] Cc1c2OCN(Cc3cccnc3)Cc2cc2C(=O)C(=C[*:1])Oc21
Cc1c2c(cc3c1O/C(=C\c1ccccc1Br)C3=O)CN(Cc1cccnc1)CO2 c1cncc(c1)C[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3ccccc3Br)Oc21)[*:1]
COc1cc(C(=O)NCC#N)cc(Cl)c1OCC(N)=O NC(=O)CO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)NCC#N
COc1cc(C(=O)NCC#N)cc(Cl)c1OCC(N)=O N#CC[*:1] COc1cc(cc(Cl)c1OCC(N)=O)C(=O)N[*:1]
COc1cc(C(=O)NCC#N)cc(Cl)c1OCC(N)=O NC(=O)C[*:1] COc1cc(cc(Cl)c1O[*:1])C(=O)NCC#N
COc1cc(C(=O)NCC#N)cc(Cl)c1OCC(N)=O NC(=O)[*:1] COc1cc(cc(Cl)c1OC[*:1])C(=O)NCC#N
COc1cc(C(=O)NCC#N)cc(Cl)c1OCC(N)=O N#CCNC(=O)[*:1] COc1cc(cc(Cl)c1OCC(N)=O)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 CC(C)C[*:1] O=C(c1ccc(cc1F)[N+](=O)[O-])N1CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 CC(C)[*:1] O=C(c1ccc(cc1F)[N+](=O)[O-])N1CC[C@H](C1)OCC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 CC(C)CC[*:1] O=C(c1ccc(cc1F)[N+](=O)[O-])N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 O=[N+]([O-])[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)c1ccc(cc1F)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 CC(C)CCO[*:1] O=C(c1ccc(cc1F)[N+](=O)[O-])N1CC[C@H](C1)[*:1]
CC[C@@H](C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[*:1]
COc1ccc(CNC(=O)C2CCN(c3[nH]c4cc(C)ccc4[nH+]3)CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc2[nH+]c([nH]c2c1)N1CCC(CC1)C(=O)NC[*:1]
COc1ccc(CNC(=O)C2CCN(c3[nH]c4cc(C)ccc4[nH+]3)CC2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc2[nH+]c([nH]c2c1)N1CCC(CC1)C(=O)N[*:1]
O=C(CC1CCCCC1)NNC(=O)c1cccc(N2CCCNC2=O)c1 C1CCC(CC1)[*:1] O=C(C[*:1])NNC(=O)c1cccc(c1)N1CCCNC1=O
O=C(CC1CCCCC1)NNC(=O)c1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] O=C(CC1CCCCC1)NNC(=O)c1cccc(c1)[*:1]
O=C(CC1CCCCC1)NNC(=O)c1cccc(N2CCCNC2=O)c1 C1CCC(CC1)C[*:1] O=C(NNC(=O)[*:1])c1cccc(c1)N1CCCNC1=O
C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccccc2N2CCOCC2)C1 C1CN(CCO1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1ccccc1[*:1]
Cn1c(SCc2ccccn2)nnc1-c1cccs1 c1csc(c1)[*:1] Cn1c(nnc1[*:1])SCc1ccccn1
Cn1c(SCc2ccccn2)nnc1-c1cccs1 c1ccc(nc1)[*:1] Cn1c(nnc1-c1cccs1)SC[*:1]
Cc1nc(C)c(CNC(=O)N[C@@H](C)CS(C)(=O)=O)s1 CS(=O)(=O)C[*:1] Cc1nc(C)c(CNC(=O)N[C@@H](C)[*:1])s1
Cc1nc(C)c(CNC(=O)N[C@@H](C)CS(C)(=O)=O)s1 CS(=O)(=O)[*:1] Cc1nc(C)c(CNC(=O)N[C@@H](C)C[*:1])s1
CCc1cc(N2CCC([NH2+][C@@H]3CCN(CC(F)(F)F)C3)CC2)ncn1 CCc1cc(ncn1)[*:1] FC(F)(F)CN1CC[C@H](C1)[NH2+]C1CCN(CC1)[*:1]
CCc1cc(N2CCC([NH2+][C@@H]3CCN(CC(F)(F)F)C3)CC2)ncn1 FC(F)(F)[*:1] CCc1cc(ncn1)N1CCC(CC1)[NH2+][C@@H]1CCN(C1)C[*:1]
CCc1cc(N2CCC([NH2+][C@@H]3CCN(CC(F)(F)F)C3)CC2)ncn1 FC(F)(F)C[*:1] CCc1cc(ncn1)N1CCC(CC1)[NH2+][C@@H]1CCN(C1)[*:1]
COCCNC(=O)c1ccc(N2CCN(c3ncccc3C#N)CC2)nc1 COCC[*:1] N#Cc1cccnc1N1CCN(CC1)c1ccc(cn1)C(=O)N[*:1]
COCCNC(=O)c1ccc(N2CCN(c3ncccc3C#N)CC2)nc1 N#Cc1cccnc1[*:1] COCCNC(=O)c1ccc(nc1)N1CCN(CC1)[*:1]
COCCNC(=O)c1ccc(N2CCN(c3ncccc3C#N)CC2)nc1 COCCNC(=O)[*:1] N#Cc1cccnc1N1CCN(CC1)c1ccc(cn1)[*:1]
COCCNC(=O)c1ccc(N2CCN(c3ncccc3C#N)CC2)nc1 COC[*:1] N#Cc1cccnc1N1CCN(CC1)c1ccc(cn1)C(=O)NC[*:1]
COC(=O)C[C@H]1CCCCN1Cc1cnc(-c2ccccn2)s1 COC(=O)C[*:1] c1ccc(nc1)-c1ncc(CN2CCCC[C@@H]2[*:1])s1
COC(=O)C[C@H]1CCCCN1Cc1cnc(-c2ccccn2)s1 COC(=O)[*:1] c1ccc(nc1)-c1ncc(CN2CCCC[C@@H]2C[*:1])s1
COC(=O)C[C@H]1CCCCN1Cc1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] COC(=O)C[C@H]1CCCCN1Cc1cnc(s1)[*:1]
O=C([O-])c1ccc(N2C(=O)[C@@H]3N=NC(c4ccccc4)=C3[C@H]2c2cccc(Br)c2)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C1[C@@H]2N=NC(=C2[C@@H](c2cccc(Br)c2)N1[*:1])c1ccccc1
O=C([O-])c1ccc(N2C(=O)[C@@H]3N=NC(c4ccccc4)=C3[C@H]2c2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] O=C([O-])c1ccc(cc1)N1C(=O)[C@@H]2N=NC(=C2[C@@H]1[*:1])c1ccccc1
O=C([O-])c1ccc(N2C(=O)[C@@H]3N=NC(c4ccccc4)=C3[C@H]2c2cccc(Br)c2)cc1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)N1C(=O)[C@@H]2N=NC(=C2[C@H]1c1cccc(Br)c1)[*:1]
O=C([O-])c1ccc(N2C(=O)[C@@H]3N=NC(c4ccccc4)=C3[C@H]2c2cccc(Br)c2)cc1 O=C([O-])[*:1] O=C1[C@@H]2N=NC(=C2[C@@H](c2cccc(Br)c2)N1c1ccc(cc1)[*:1])c1ccccc1
CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O CC(C)NC(=O)C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1cc(F)ccc1F
CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O CC(C)NC(=O)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cc(F)ccc1F
CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O CC(C)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1cc(F)ccc1F
O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 C1CCCC(CC1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl
O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1[*:1] O=C(NC1CCCCCC1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c(C)c1C O=C(NC1CC1)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N1CCN(CC1)[C@H](C)[*:1]
Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c(C)c1C C1CC1[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c(C)c1C C[C@H](C(=O)NC1CC1)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N1CCN(CC1)[*:1]
COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)NC3CC3)C2)cc1 C1CC1[*:1] COc1ccc(cc1)CNC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)NC3CC3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)NC1CC1
C[C@H]([NH2+][C@H](C)c1ccc(F)cn1)c1ccc(-c2cccnc2)cc1 Fc1ccc(nc1)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1ccc(cc1)-c1cccnc1
C[C@H]([NH2+][C@H](C)c1ccc(F)cn1)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@H]([NH2+][C@H](C)c1ccc(F)cn1)c1ccc(cc1)[*:1]
O=C(CCC(=O)N1CCC[C@H](c2ccn[nH]2)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N1CCC[C@@H](C1)c1ccn[nH]1
O=C(CCC(=O)N1CCC[C@H](c2ccn[nH]2)C1)c1ccccc1 c1cc([nH]n1)[*:1] O=C(CCC(=O)N1CCC[C@H](C1)[*:1])c1ccccc1
O=C(NCCCn1cccn1)C1CCC(c2ccccc2)CC1 c1cnn(c1)C[*:1] O=C(NCC[*:1])C1CCC(CC1)c1ccccc1
O=C(NCCCn1cccn1)C1CCC(c2ccccc2)CC1 c1cnn(c1)CC[*:1] O=C(NC[*:1])C1CCC(CC1)c1ccccc1
O=C(NCCCn1cccn1)C1CCC(c2ccccc2)CC1 c1cnn(c1)[*:1] O=C(NCCC[*:1])C1CCC(CC1)c1ccccc1
O=C(NCCCn1cccn1)C1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCCCn1cccn1)C1CCC(CC1)[*:1]
CCCCSc1nnc(SC(C)C)s1 CCCC[*:1] CC(C)Sc1nnc(S[*:1])s1
CCCCSc1nnc(SC(C)C)s1 CC(C)[*:1] CCCCSc1nnc(S[*:1])s1
CCCCSc1nnc(SC(C)C)s1 CC(C)S[*:1] CCCCSc1nnc(s1)[*:1]
CCCCSc1nnc(SC(C)C)s1 CCC[*:1] CC(C)Sc1nnc(SC[*:1])s1
Cc1ccccc1NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O Cc1ccccc1[*:1] Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[*:1]
CCC([NH3+])(CC)C(=O)N[C@@H]1C[C@H]1C C[C@@H]1C[C@H]1[*:1] CCC([NH3+])(CC)C(=O)N[*:1]
Cc1ccc(N/C=C2\C(=O)C(C)(C)Oc3ccc4ccc(=O)oc4c32)cc1 Cc1ccc(cc1)[*:1] CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/N[*:1])C1=O
Cc1ccc(N/C=C2\C(=O)C(C)(C)Oc3ccc4ccc(=O)oc4c32)cc1 Cc1ccc(cc1)N[*:1] CC1(C)Oc2ccc3ccc(=O)oc3c2C(=C[*:1])C1=O
CCCOc1cccc(NC(=O)[C@](C)([NH3+])CC)c1 CCC[*:1] CC[C@@](C)([NH3+])C(=O)Nc1cccc(c1)O[*:1]
CCCOc1cccc(NC(=O)[C@](C)([NH3+])CC)c1 CCCO[*:1] CC[C@@](C)([NH3+])C(=O)Nc1cccc(c1)[*:1]
CC(C)(C)c1cc(NC(=O)c2cccc(Cl)c2)no1 CC(C)(C)[*:1] O=C(Nc1cc(on1)[*:1])c1cccc(Cl)c1
CCc1cc(NCC(C)(C)C[NH+](C)C)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CCc1cc(nc(n1)[*:1])NCC(C)(C)C[NH+](C)C
O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCc2ccccc21 c1ccc(cc1)[*:1] O[C@H](COc1ccc(cc1)[*:1])CN1CCc2ccccc21
Cc1ccccc1-c1nnc(NC(=O)/C=C\c2ccc3c(c2)OCO3)s1 Cc1ccccc1[*:1] O=C(/C=C\c1ccc2OCOc2c1)Nc1nnc(s1)[*:1]
O=C(NC1CC1)[C@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@H](Nc1ccc(cc1)N1C(=O)CCCC1=O)[*:1]
O=C(NC1CC1)[C@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccccc1 O=C1CCCC(=O)N1[*:1] O=C(NC1CC1)[C@H](Nc1ccc(cc1)[*:1])c1ccccc1
O=C(NC1CC1)[C@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccccc1 C1CC1[*:1] O=C(N[*:1])[C@H](Nc1ccc(cc1)N1C(=O)CCCC1=O)c1ccccc1
O=C(NC1CC1)[C@H](Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccccc1 O=C(NC1CC1)[*:1] O=C1CCCC(=O)N1c1ccc(cc1)N[C@H](c1ccccc1)[*:1]
CC[NH2+][C@@H](Cc1ccc(F)cc1F)c1ccoc1C Cc1occc1[*:1] CC[NH2+][C@@H](Cc1ccc(F)cc1F)[*:1]
COCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O COC[*:1] O=C1C2=C(Nc3c(c(=O)[nH]c(=O)n3C[*:1])[C@H]2c2ccccc2)c2ccccc21
COCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O COCC[*:1] O=C1C2=C(Nc3c(c(=O)[nH]c(=O)n3[*:1])[C@H]2c2ccccc2)c2ccccc21
COCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O c1ccc(cc1)[*:1] COCCn1c2NC3=C(C(=O)c4ccccc43)[C@H](c2c(=O)[nH]c1=O)[*:1]
Cc1cc(Cl)ccc1Nc1ncnc(NCc2cccnc2)c1[N+](=O)[O-] c1cncc(c1)CN[*:1] Cc1cc(Cl)ccc1Nc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1cc(Cl)ccc1Nc1ncnc(NCc2cccnc2)c1[N+](=O)[O-] c1cncc(c1)[*:1] Cc1cc(Cl)ccc1Nc1ncnc(NC[*:1])c1[N+](=O)[O-]
Cc1cc(Cl)ccc1Nc1ncnc(NCc2cccnc2)c1[N+](=O)[O-] c1cncc(c1)C[*:1] Cc1cc(Cl)ccc1Nc1ncnc(N[*:1])c1[N+](=O)[O-]
Cc1cc(Cl)ccc1Nc1ncnc(NCc2cccnc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(Cl)ccc1Nc1ncnc(NCc2cccnc2)c1[*:1]
Cc1cc(Cl)ccc1Nc1ncnc(NCc2cccnc2)c1[N+](=O)[O-] Cc1cc(Cl)ccc1[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NCc1cccnc1
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC[C@@H](C)C[NH+]3CCCC3)n2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNC(=O)c1nc(ccc1Cl)[*:1])C[NH+]1CCCC1
CNS(=O)(=O)c1ccc(NCCc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNS(=O)(=O)c1ccc(NCCc2nc3ccccc3[nH]2)c(c1)[*:1]
CNS(=O)(=O)c1ccc(NCCc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 CNS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1NCCc1nc2ccccc2[nH]1)[*:1]
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)OC)cc2)SC1=Nc1ccc(OC)c(Cl)c1 COc1ccc(cc1Cl)[*:1] CCN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1ccc(cc1)C(=O)OC
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)OC)cc2)SC1=Nc1ccc(OC)c(Cl)c1 COC(=O)[*:1] CCN1C(=O)C[C@H](SC1=Nc1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)OC)cc2)SC1=Nc1ccc(OC)c(Cl)c1 COC(=O)c1ccc(cc1)[*:1] CCN1C(=O)C[C@H](SC1=Nc1ccc(OC)c(Cl)c1)C(=O)N[*:1]
COc1cccc(C(=O)Nc2ccnn2CC2=CCC[NH+](C)C2)c1 COc1cccc(c1)[*:1] C[NH+]1CCC=C(Cn2nccc2NC(=O)[*:1])C1
Cc1c(C#N)c(NC(=O)c2cccc(Cl)c2)n(Cc2ccccc2)c1C Clc1cccc(c1)[*:1] Cc1c(C#N)c(NC(=O)[*:1])n(Cc2ccccc2)c1C
Cc1c(C#N)c(NC(=O)c2cccc(Cl)c2)n(Cc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1c(C#N)c(NC(=O)c2cccc(Cl)c2)n(C[*:1])c1C
Cc1c(C#N)c(NC(=O)c2cccc(Cl)c2)n(Cc2ccccc2)c1C c1ccc(cc1)C[*:1] Cc1c(C#N)c(NC(=O)c2cccc(Cl)c2)n(c1C)[*:1]
COc1ccc2nc(Nc3ncnc(Oc4cccc5ccc(C)nc45)c3[N+](=O)[O-])sc2c1 COc1ccc2nc(sc2c1)[*:1] Cc1ccc2cccc(Oc3ncnc(N[*:1])c3[N+](=O)[O-])c2n1
COc1ccc2nc(Nc3ncnc(Oc4cccc5ccc(C)nc45)c3[N+](=O)[O-])sc2c1 O=[N+]([O-])[*:1] COc1ccc2nc(Nc3ncnc(Oc4cccc5ccc(C)nc45)c3[*:1])sc2c1
COc1ccc2nc(Nc3ncnc(Oc4cccc5ccc(C)nc45)c3[N+](=O)[O-])sc2c1 Cc1ccc2cccc(c2n1)[*:1] COc1ccc2nc(Nc3ncnc(O[*:1])c3[N+](=O)[O-])sc2c1
Cc1cc(C)c2c(CCCC(=O)[O-])c(-c3ccccn3)[nH]c2c1 O=C([O-])CC[*:1] Cc1cc(C)c2c(C[*:1])c([nH]c2c1)-c1ccccn1
Cc1cc(C)c2c(CCCC(=O)[O-])c(-c3ccccn3)[nH]c2c1 O=C([O-])[*:1] Cc1cc(C)c2c(CCC[*:1])c([nH]c2c1)-c1ccccn1
Cc1cc(C)c2c(CCCC(=O)[O-])c(-c3ccccn3)[nH]c2c1 O=C([O-])C[*:1] Cc1cc(C)c2c(CC[*:1])c([nH]c2c1)-c1ccccn1
Cc1cc(C)c2c(CCCC(=O)[O-])c(-c3ccccn3)[nH]c2c1 c1ccc(nc1)[*:1] Cc1cc(C)c2c(CCCC(=O)[O-])c([nH]c2c1)[*:1]
Cc1cc(C)c2c(CCCC(=O)[O-])c(-c3ccccn3)[nH]c2c1 O=C([O-])CCC[*:1] Cc1cc(C)c2c(c([nH]c2c1)-c1ccccn1)[*:1]
CCOCCOc1ccc(Cl)cc1NC(=O)N[C@@H]1C[C@H]1C CCOCCO[*:1] C[C@@H]1C[C@H]1NC(=O)Nc1cc(Cl)ccc1[*:1]
CCOCCOc1ccc(Cl)cc1NC(=O)N[C@@H]1C[C@H]1C CCOC[*:1] C[C@@H]1C[C@H]1NC(=O)Nc1cc(Cl)ccc1OC[*:1]
CCOCCOc1ccc(Cl)cc1NC(=O)N[C@@H]1C[C@H]1C CCO[*:1] C[C@@H]1C[C@H]1NC(=O)Nc1cc(Cl)ccc1OCC[*:1]
CCOCCOc1ccc(Cl)cc1NC(=O)N[C@@H]1C[C@H]1C CCOCC[*:1] C[C@@H]1C[C@H]1NC(=O)Nc1cc(Cl)ccc1O[*:1]
Cn1cnc(S(=O)(=O)Oc2ccc(F)cc2F)c1 Cn1cnc(c1)[*:1] O=S(=O)(Oc1ccc(F)cc1F)[*:1]
CC(=O)c1ccc(NCCNS(C)(=O)=O)c([N+](=O)[O-])c1 CS(=O)(=O)NC[*:1] CC(=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
CC(=O)c1ccc(NCCNS(C)(=O)=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(NCCNS(C)(=O)=O)c(c1)[*:1]
CC(=O)c1ccc(NCCNS(C)(=O)=O)c([N+](=O)[O-])c1 CS(=O)(=O)N[*:1] CC(=O)c1ccc(NCC[*:1])c(c1)[N+](=O)[O-]
CC(=O)c1ccc(NCCNS(C)(=O)=O)c([N+](=O)[O-])c1 CC(=O)[*:1] CS(=O)(=O)NCCNc1ccc(cc1[N+](=O)[O-])[*:1]
C[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)[C@@H]1CCCCN1S(=O)(=O)[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCC[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)CCCn1ccnn1 c1cn(CC[*:1])nn1 CN(C)c1ccc(Cl)cc1NC(=O)C[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 CN(C)c1ccc(Cl)cc1NC(=O)CC[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)CCCn1ccnn1 CN(C)[*:1] O=C(CCCn1ccnn1)Nc1cc(Cl)ccc1[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)CCCn1ccnn1 c1cn(nn1)[*:1] CN(C)c1ccc(Cl)cc1NC(=O)CCC[*:1]
S=C1[NH+]=N[C@H](c2ccccc2)N1/N=C/c1cccc(Br)c1 Brc1cccc(c1)[*:1] S=C1[NH+]=N[C@H](c2ccccc2)N1N=C[*:1]
S=C1[NH+]=N[C@H](c2ccccc2)N1/N=C/c1cccc(Br)c1 c1ccc(cc1)[*:1] S=C1[NH+]=N[C@H](N1/N=C/c1cccc(Br)c1)[*:1]
CCn1c(CC(=O)Cc2cccs2)nc2ccccc21 c1csc(c1)C[*:1] CCn1c(CC(=O)[*:1])nc2ccccc21
CCn1c(CC(=O)Cc2cccs2)nc2ccccc21 c1csc(c1)[*:1] CCn1c(CC(=O)C[*:1])nc2ccccc21
CCC[C@@H](C#N)[C@@H](O)c1cc(Cl)ccc1Br CCC[*:1] N#C[C@@H]([C@@H](O)c1cc(Cl)ccc1Br)[*:1]
O=C(CCn1ccccc1=O)Nc1nc2c(s1)C(=O)CCC2 O=c1ccccn1[*:1] O=C(CC[*:1])Nc1nc2CCCC(=O)c2s1
Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cn2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)O[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cn2)cc1 Cc1ccc(cc1)O[*:1] O=C(Nc1ccc(nc1)[*:1])[C@@H]1CCS(=O)(=O)C1
C[C@H](CCl)CS(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] C[C@H](CCl)CS(=O)(=O)[N-]c1ccc(cc1)[*:1]
C[C@H](CCl)CS(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] C[C@H](CCl)CS(=O)(=O)[N-]c1ccc(cc1)O[*:1]
Cc1cc(C)cc(-n2c(SCC(=O)Nc3nnc(C(C)C)o3)nc3ccccc3c2=O)c1 CC(C)[*:1] Cc1cc(C)cc(c1)-n1c(nc2ccccc2c1=O)SCC(=O)Nc1nnc(o1)[*:1]
Cc1cc(C)cc(-n2c(SCC(=O)Nc3nnc(C(C)C)o3)nc3ccccc3c2=O)c1 CC(C)c1nnc(o1)[*:1] Cc1cc(C)cc(c1)-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
Cc1cc(C)cc(-n2c(SCC(=O)Nc3nnc(C(C)C)o3)nc3ccccc3c2=O)c1 Cc1cc(C)cc(c1)[*:1] CC(C)c1nnc(NC(=O)CSc2nc3ccccc3c(=O)n2[*:1])o1
Cc1nn(C[C@@H](O)CNc2ccn(C)n2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C[C@@H](O)CNc2ccn(C)n2)c(C)c1[*:1]
Cc1nn(C[C@@H](O)CNc2ccn(C)n2)c(C)c1[N+](=O)[O-] Cn1ccc(n1)[*:1] Cc1nn(C[C@@H](O)CN[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(C[C@@H](O)CNc2ccn(C)n2)c(C)c1[N+](=O)[O-] Cn1ccc(n1)N[*:1] Cc1nn(C[C@@H](O)C[*:1])c(C)c1[N+](=O)[O-]
O=C([O-])[C@H]1C[C@@H]2N=CN=C2C[NH2+]1 O=C([O-])[*:1] C1=N[C@H]2C[C@@H]([NH2+]CC2=N1)[*:1]
COc1cc(OC)c([C@@H](O)Cc2nccs2)c(OC)c1 c1csc(n1)[*:1] COc1cc(OC)c(c(c1)OC)[C@@H](O)C[*:1]
COc1cc(OC)c([C@@H](O)Cc2nccs2)c(OC)c1 c1csc(C[*:1])n1 COc1cc(OC)c(c(c1)OC)[C@@H](O)[*:1]
COc1ccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)CN(C[*:1])C1CC(C)(C)[NH2+]C(C)(C)C1
COc1ccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC c1cncc(c1)C[*:1] COc1ccc(cc1OC)CN(C1CC(C)(C)[NH2+]C(C)(C)C1)[*:1]
C[C@@H]([NH3+])CCC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 C[C@@H]([NH3+])[*:1] O=C(CC[*:1])N[C@H]1C=C[C@H](C1)C(=O)[O-]
C[C@@H]([NH3+])CCC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]([NH3+])CCC(=O)N[C@H]1C=C[C@@H](C1)[*:1]
C[C@@H]([NH3+])CCC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 C[C@@H]([NH3+])C[*:1] O=C(C[*:1])N[C@H]1C=C[C@H](C1)C(=O)[O-]
C[C@@H]([NH3+])CCC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 C[C@@H]([NH3+])CC[*:1] O=C([O-])[C@@H]1C=C[C@@H](C1)NC(=O)[*:1]
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1CCC2(C1)OCCO2 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)N1CCC2(C1)OCCO2
CC(=O)N(CCc1ccccc1)CC(=O)N1CCC2(C1)OCCO2 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)N1CCC2(C1)OCCO2)C[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1CCC2(C1)OCCO2 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)N1CCC2(C1)OCCO2)[*:1]
O=C([O-])C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1 O=C([O-])[*:1] O=C(c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1)N1CCC(CC1)[*:1]
O=C([O-])C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1 O=S(=O)(N1CCOCC1)[*:1] O=C([O-])C1CCN(CC1)C(=O)c1cc(c(Cl)cc1Cl)[*:1]
O=C(CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=[NH+]CCCN12)N1CCOCC1 Clc1ccc(cc1)[*:1] O=C(CSC1=Nc2c(cnn2[*:1])C2=[NH+]CCCN12)N1CCOCC1
O=C(CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=[NH+]CCCN12)N1CCOCC1 O=C(C[*:1])N1CCOCC1 Clc1ccc(cc1)-n1ncc2C3=[NH+]CCCN3C(=Nc21)S[*:1]
O=C(CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=[NH+]CCCN12)N1CCOCC1 O=C(N1CCOCC1)[*:1] Clc1ccc(cc1)-n1ncc2C3=[NH+]CCCN3C(=Nc21)SC[*:1]
C[C@](NC(=O)/C=C/c1ccco1)(C(=O)[O-])C(F)(F)F c1coc(c1)[*:1] C[C@](NC(=O)C=C[*:1])(C(=O)[O-])C(F)(F)F
C[C@](NC(=O)/C=C/c1ccco1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](NC(=O)/C=C/c1ccco1)(C(=O)[O-])[*:1]
C[C@](NC(=O)/C=C/c1ccco1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@](NC(=O)/C=C/c1ccco1)(C(F)(F)F)[*:1]
CC(C)[NH2+][C@]1(CO)CCC[C@H](N(C)CC[NH+]2CCCC2)C1 CC(C)[NH2+][*:1] CN(CC[NH+]1CCCC1)[C@H]1CCC[C@@](CO)(C1)[*:1]
CC(C)[NH2+][C@]1(CO)CCC[C@H](N(C)CC[NH+]2CCCC2)C1 CC(C)[*:1] CN(CC[NH+]1CCCC1)[C@H]1CCC[C@](CO)(C1)[NH2+][*:1]
C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CC[NH+](Cc2ccon2)CC1 CC(C)(C)[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])N1CC[NH+](CC1)Cc1ccon1
C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CC[NH+](Cc2ccon2)CC1 c1cc(no1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)C(C)(C)C)N1CC[NH+](CC1)C[*:1]
FC(F)(F)CCN(Cc1cnc(N2CCOCC2)nc1)C1CCC1 FC(F)(F)[*:1] c1nc(ncc1CN(CC[*:1])C1CCC1)N1CCOCC1
FC(F)(F)CCN(Cc1cnc(N2CCOCC2)nc1)C1CCC1 FC(F)(F)CC[*:1] c1nc(ncc1CN(C1CCC1)[*:1])N1CCOCC1
FC(F)(F)CCN(Cc1cnc(N2CCOCC2)nc1)C1CCC1 C1CN(CCO1)[*:1] FC(F)(F)CCN(Cc1cnc(nc1)[*:1])C1CCC1
FC(F)(F)CCN(Cc1cnc(N2CCOCC2)nc1)C1CCC1 C1CC(C1)[*:1] FC(F)(F)CCN(Cc1cnc(nc1)N1CCOCC1)[*:1]
FC(F)(F)CCN(Cc1cnc(N2CCOCC2)nc1)C1CCC1 FC(F)(F)C[*:1] c1nc(ncc1CN(C[*:1])C1CCC1)N1CCOCC1
CN(C)C(=O)Cc1ccc(NC(=O)NCCN2CCOCC2)cc1 C1CN(CCO1)[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)NCC[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)NCCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)NC[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)NCCN2CCOCC2)cc1 CN(C)C(=O)C[*:1] O=C(NCCN1CCOCC1)Nc1ccc(cc1)[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)NCCN2CCOCC2)cc1 CN(C)C(=O)[*:1] O=C(NCCN1CCOCC1)Nc1ccc(cc1)C[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)NCCN2CCOCC2)cc1 C1CN(CCO1)CC[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)N[*:1]
CCn1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c2ccccc21 C1CN(CCO1)C[*:1] CCn1cc(C(=O)N[C@@H](c2ccccc2)[*:1])c2ccccc21
CCn1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CCn1cc(C(=O)N[C@@H](CN2CCOCC2)[*:1])c2ccccc21
CCn1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c2ccccc21 C1CN(CCO1)[*:1] CCn1cc(C(=O)N[C@@H](C[*:1])c2ccccc2)c2ccccc21
CCOc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c(=O)c2c1 c1ccc(cc1)[*:1] CCOc1ccc2[nH]cc(c(=O)c2c1)S(=O)(=O)[*:1]
CCOc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c(=O)c2c1 CCO[*:1] O=c1c(c[nH]c2ccc(cc12)[*:1])S(=O)(=O)c1ccccc1
CC(C)[C@H](C[NH+](C)C)[NH2+][C@H]1CCOC2(CCCC2)C1 CC(C)[*:1] C[NH+](C)C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)[*:1]
O=C(OCc1nncn1C1CC1)c1ccccc1C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(OCc1nncn1C1CC1)c1ccccc1C(=O)[*:1]
O=C(OCc1nncn1C1CC1)c1ccccc1C(=O)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=C(OCc1nncn1C1CC1)c1ccccc1[*:1]
O=C(OCc1nncn1C1CC1)c1ccccc1C(=O)c1ccc(F)cc1 C1CC1[*:1] O=C(OCc1nncn1[*:1])c1ccccc1C(=O)c1ccc(F)cc1
O=C(OCc1nncn1C1CC1)c1ccccc1C(=O)c1ccc(F)cc1 c1nnc(n1C1CC1)[*:1] O=C(OC[*:1])c1ccccc1C(=O)c1ccc(F)cc1
COCCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)c1C COCC[*:1] Cc1nn(c(C)c1[C@H](C)[NH2+]C[C@H]1CCCS1(=O)=O)[*:1]
COCCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1[C@H](C)[NH2+]C[C@H]1CCCS1(=O)=O
CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1c(C)nn(C)c1C CCC[*:1] Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@H]1C[C@H]1[*:1]
Cc1noc([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)n1 Cc1noc(n1)[*:1] CC(C)[C@H](C(=O)N[C@H](C)[*:1])[NH+]1CCCCC1
Cc1noc([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)n1 CC(C)[*:1] Cc1noc(n1)[C@@H](C)NC(=O)[C@@H]([NH+]1CCCCC1)[*:1]
C[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(C2CCCCC2)C1=O CC(C)(C)[*:1] C[C@H]1Oc2ccc(cc2CN(C1=O)C1CCCCC1)NC(=O)C[*:1]
C[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(C2CCCCC2)C1=O C1CCC(CC1)[*:1] C[C@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)CC(C)(C)C
C[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(C2CCCCC2)C1=O CC(C)(C)CC(=O)N[*:1] C[C@H]1Oc2ccc(cc2CN(C1=O)C1CCCCC1)[*:1]
C[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(C2CCCCC2)C1=O CC(C)(C)C[*:1] C[C@H]1Oc2ccc(cc2CN(C1=O)C1CCCCC1)NC(=O)[*:1]
C[C@H](NC(=O)N[C@@H]1C[C@@H]1C)c1ccc(C#N)cc1 C[C@H]1C[C@H]1[*:1] C[C@H](NC(=O)N[*:1])c1ccc(C#N)cc1
Cc1c(C(=O)OCc2cc(-c3ccc4c(c3)OCO4)on2)cccc1[N+](=O)[O-] c1cc2OCOc2cc1[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)OCc1cc(on1)[*:1]
Cc1c(C(=O)OCc2cc(-c3ccc4c(c3)OCO4)on2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)OCc1cc(on1)-c1ccc2OCOc2c1
CCN(CCC[NH3+])[C@H]1CCO[C@]2(CCOC2)C1 [NH3+]CC[*:1] CCN(C[*:1])[C@H]1CCO[C@]2(CCOC2)C1
CCN(CCC[NH3+])[C@H]1CCO[C@]2(CCOC2)C1 [NH3+]CCC[*:1] CCN([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
COC(C)(C)c1noc([C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)n1 COC(C)(C)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@@H](C1)c1nc(no1)[*:1]
COC(C)(C)c1noc([C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)n1 Cc1cc(C)cc(c1)[*:1] COC(C)(C)c1noc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]1CN1CCOCC1 Clc1ccc(cc1)[*:1] O=C(N[*:1])N1CCC[C@@H]1CN1CCOCC1
O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]1C[*:1]
O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1[*:1]
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 CC(=O)O[*:1] COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(c(c1)OC)[*:1]
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 Cc1ccc(o1)[*:1] COC(=O)C1=C(C)N=c2sc(=C[*:1])c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(c1)OC
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 COC(=O)[*:1] COc1cc(ccc1OC(C)=O)[C@@H]1C(=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n21)[*:1]
NC(=O)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 NC(=O)NN=C[*:1] c1ccc2[nH]c(nc2c1)Sc1ccc(o1)[*:1]
Cc1cccc(OCCN(C)C(=O)NCCN2CCOCC2)c1 Cc1cccc(c1)[*:1] CN(CCO[*:1])C(=O)NCCN1CCOCC1
Cc1cccc(OCCN(C)C(=O)NCCN2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)OCCN(C)C(=O)NCC[*:1]
Cc1cccc(OCCN(C)C(=O)NCCN2CCOCC2)c1 C1CN(CCO1)C[*:1] Cc1cccc(c1)OCCN(C)C(=O)NC[*:1]
CC(C)(C)C(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)Nc1cccc(c1)NC(=S)NC(=O)C=C[*:1]
CC(C)(C)C(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccccc2)c1 CC(C)(C)C(=O)N[*:1] O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(c1)[*:1]
CC(C)(C)C(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccccc2)c1 CC(C)(C)[*:1] O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(c1)NC(=O)[*:1]
CC(C)(C)C(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccccc2)c1 C(=C[*:1])c1ccccc1 CC(C)(C)C(=O)Nc1cccc(c1)NC(=S)NC(=O)[*:1]
CCOc1ccc2oc(C)c(C(=O)N[C@@H](C)c3n[nH]c(C)n3)c2c1 Cc1nc(n[nH]1)[*:1] CCOc1ccc2oc(C)c(C(=O)N[C@@H](C)[*:1])c2c1
CCOc1ccc2oc(C)c(C(=O)N[C@@H](C)c3n[nH]c(C)n3)c2c1 CCO[*:1] Cc1nc(n[nH]1)[C@H](C)NC(=O)c1c(C)oc2ccc(cc12)[*:1]
Cc1cccc(OC(=O)CCCc2nc(-c3cccs3)no2)c1 c1csc(c1)[*:1] Cc1cccc(c1)OC(=O)CCCc1nc(no1)[*:1]
Cc1cccc(OC(=O)CCCc2nc(-c3cccs3)no2)c1 Cc1cccc(c1)[*:1] O=C(CCCc1nc(no1)-c1cccs1)O[*:1]
C#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C CC(=O)O[*:1] C#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4(C)[C@@H]3CC[C@@]21C)[*:1]
COCCn1cc(NC(=O)NC2(C)Cc3ccccc3C2)ccc1=O COCC[*:1] CC1(Cc2ccccc2C1)NC(=O)Nc1ccc(=O)n(c1)[*:1]
COCCn1cc(NC(=O)NC2(C)Cc3ccccc3C2)ccc1=O COC[*:1] CC1(Cc2ccccc2C1)NC(=O)Nc1ccc(=O)n(c1)C[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CCOc1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N(C)CCOc1ccc(Cl)cc1
C[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CCOc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CC[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CCOc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CCO[*:1]
CC[NH2+][C@@H](COC(C)C)Cc1ccccc1 CC(C)OC[*:1] CC[NH2+][C@@H](Cc1ccccc1)[*:1]
CC[NH2+][C@@H](COC(C)C)Cc1ccccc1 CC(C)[*:1] CC[NH2+][C@@H](CO[*:1])Cc1ccccc1
CC[NH2+][C@@H](COC(C)C)Cc1ccccc1 CC(C)O[*:1] CC[NH2+][C@H](Cc1ccccc1)C[*:1]
C[C@H]1C[C@H]1c1ccc(/C=C/C[NH2+]C(C)(C)C)o1 CC(C)(C)[*:1] C[C@H]1C[C@H]1c1ccc(/C=C/C[NH2+][*:1])o1
C[C@H]1C[C@H]1c1ccc(/C=C/C[NH2+]C(C)(C)C)o1 C[C@H]1C[C@@H]1[*:1] CC(C)(C)[NH2+]C/C=C/c1ccc(o1)[*:1]
Cc1cc(-c2nnc(CCC(=O)NCCc3cccc(F)c3)o2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(CCc1nnc(o1)[*:1])NCCc1cccc(F)c1
Cc1cc(-c2nnc(CCC(=O)NCCc3cccc(F)c3)o2)n(C)n1 Fc1cccc(c1)C[*:1] Cc1cc(-c2nnc(CCC(=O)NC[*:1])o2)n(C)n1
Cc1cc(-c2nnc(CCC(=O)NCCc3cccc(F)c3)o2)n(C)n1 Fc1cccc(c1)[*:1] Cc1cc(-c2nnc(CCC(=O)NCC[*:1])o2)n(C)n1
C[C@H](CCCO)NC(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)O[*:1] C[C@H](CCCO)NC(=O)Nc1cccc(c1)[*:1]
C[C@H](CCCO)NC(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)[*:1] C[C@H](CCCO)NC(=O)Nc1cccc(c1)O[*:1]
C[C@H](CCCO)NC(=O)Nc1cccc(Oc2ccncc2)c1 OCCC[*:1] C[C@H](NC(=O)Nc1cccc(c1)Oc1ccncc1)[*:1]
C[C@H](CCCO)NC(=O)Nc1cccc(Oc2ccncc2)c1 OCC[*:1] C[C@H](C[*:1])NC(=O)Nc1cccc(c1)Oc1ccncc1
Cc1cc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])NC[C@@H](Cc1ccc(F)cc1)C(N)=O
Cc1cc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)ncc1[N+](=O)[O-] Fc1ccc(cc1)C[*:1] Cc1cc(ncc1[N+](=O)[O-])NC[C@@H](C(N)=O)[*:1]
Cc1cc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)ncc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1cc(ncc1[N+](=O)[O-])NC[C@@H](C[*:1])C(N)=O
Cc1cc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)ncc1[N+](=O)[O-] NC(=O)[*:1] Cc1cc(ncc1[N+](=O)[O-])NC[C@@H](Cc1ccc(F)cc1)[*:1]
O=S(=O)(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c(F)cccc1F FC(F)(F)[*:1] O=S(=O)(N[C@@H]1CCC[C@@H](C1)[*:1])c1c(F)cccc1F
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccccn2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccn1)[C@H]1CCC(=O)N1C[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)N[*:1]
O=C1[C@H]2CCCN2[C@@H](c2cccc(Cl)c2)N1c1nccs1 c1csc(n1)[*:1] O=C1[C@H]2CCCN2[C@@H](c2cccc(Cl)c2)N1[*:1]
O=C1[C@H]2CCCN2[C@@H](c2cccc(Cl)c2)N1c1nccs1 Clc1cccc(c1)[*:1] O=C1[C@H]2CCCN2[C@@H](N1c1nccs1)[*:1]
[NH3+][C@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] [NH3+][C@H]1CCN(C[*:1])C1=O
CC(=O)N1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2C1 O=[N+]([O-])[*:1] CC(=O)N1CCc2ccc(cc2C1)NC(=O)c1cc(ccc1Cl)[*:1]
CC(C)CNC(=O)[C@H](C)[NH2+][C@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] CC(C)CNC(=O)[C@H](C)[NH2+][C@](C)(C(=O)[O-])[*:1]
CC(C)CNC(=O)[C@H](C)[NH2+][C@](C)(C(=O)[O-])C(F)(F)F CC(C)[*:1] C[C@H]([NH2+][C@](C)(C(=O)[O-])C(F)(F)F)C(=O)NC[*:1]
CC(C)CNC(=O)[C@H](C)[NH2+][C@](C)(C(=O)[O-])C(F)(F)F CC(C)C[*:1] C[C@H]([NH2+][C@](C)(C(=O)[O-])C(F)(F)F)C(=O)N[*:1]
CC(C)CNC(=O)[C@H](C)[NH2+][C@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] CC(C)CNC(=O)[C@H](C)[NH2+][C@](C)(C(F)(F)F)[*:1]
CCC[C@H]([NH2+]C)[C@@H]1CCO[C@]2(CCSC2)C1 CCC[*:1] C[NH2+][C@H]([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CC(C)Oc1cccc(CNC(=O)C(=O)Nc2cccc(F)c2F)c1 CC(C)[*:1] O=C(NCc1cccc(c1)O[*:1])C(=O)Nc1cccc(F)c1F
CC(C)Oc1cccc(CNC(=O)C(=O)Nc2cccc(F)c2F)c1 Fc1cccc(c1F)[*:1] CC(C)Oc1cccc(c1)CNC(=O)C(=O)N[*:1]
CC(C)Oc1cccc(CNC(=O)C(=O)Nc2cccc(F)c2F)c1 CC(C)O[*:1] O=C(NCc1cccc(c1)[*:1])C(=O)Nc1cccc(F)c1F
CC(C)NC(=O)C[NH+]1CCCN(c2cccc(C(F)(F)F)n2)CC1 CC(C)NC(=O)C[*:1] FC(F)(F)c1cccc(n1)N1CCC[NH+](CC1)[*:1]
CC(C)NC(=O)C[NH+]1CCCN(c2cccc(C(F)(F)F)n2)CC1 CC(C)NC(=O)[*:1] FC(F)(F)c1cccc(n1)N1CCC[NH+](CC1)C[*:1]
CC(C)NC(=O)C[NH+]1CCCN(c2cccc(C(F)(F)F)n2)CC1 FC(F)(F)[*:1] CC(C)NC(=O)C[NH+]1CCCN(CC1)c1cccc(n1)[*:1]
CC(C)NC(=O)C[NH+]1CCCN(c2cccc(C(F)(F)F)n2)CC1 CC(C)[*:1] O=C(C[NH+]1CCCN(CC1)c1cccc(n1)C(F)(F)F)N[*:1]
CCOC(=O)[C@@H]1CC[C@@H](NC(=O)Nc2cn(C)nc2CC)C1 CCOC(=O)[*:1] CCc1nn(C)cc1NC(=O)N[C@@H]1CC[C@H](C1)[*:1]
Cc1[nH]ncc1S(=O)(=O)N(CC1CC[NH2+]CC1)C(C)C Cc1[nH]ncc1[*:1] CC(C)N(CC1CC[NH2+]CC1)S(=O)(=O)[*:1]
Cc1[nH]ncc1S(=O)(=O)N(CC1CC[NH2+]CC1)C(C)C CC(C)[*:1] Cc1[nH]ncc1S(=O)(=O)N(CC1CC[NH2+]CC1)[*:1]
COc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1Br Cc1cccc(c1)[*:1] COc1ccc(cc1Br)NC(=S)NC(=O)[*:1]
CCNC(=O)N1CCc2ccc(NC(=O)NCc3cccc(CO)c3)cc21 OCc1cccc(c1)[*:1] CCNC(=O)N1CCc2ccc(cc21)NC(=O)NC[*:1]
CCNC(=O)N1CCc2ccc(NC(=O)NCc3cccc(CO)c3)cc21 OCc1cccc(c1)C[*:1] CCNC(=O)N1CCc2ccc(cc21)NC(=O)N[*:1]
C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)[C@H](C)c1ccccc1F Fc1ccccc1[*:1] C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)[C@H](C)[*:1]
CC(C)[C@H](CNC(=O)N1CCC[C@@H](C)C1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@H](CNC(=O)N1CCC[C@@H](C)C1)[*:1]
CC(C)[C@H](CNC(=O)N1CCC[C@@H](C)C1)N1CCOCC1 CC(C)[*:1] C[C@@H]1CCCN(C1)C(=O)NC[C@H](N1CCOCC1)[*:1]
O=C1C[C@H](c2cccc(Br)c2)c2ccc3ccccc3c2N1 Brc1cccc(c1)[*:1] O=C1C[C@H](c2ccc3ccccc3c2N1)[*:1]
Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H](CO)c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccc(OC(F)F)c(c1)[C@@H](C)[NH2+][C@H](CO)[*:1]
Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H](CO)c2ccccc2F)c1 FC(F)[*:1] Cc1ccc(O[*:1])c(c1)[C@@H](C)[NH2+][C@H](CO)c1ccccc1F
Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H](CO)c2ccccc2F)c1 FC(F)O[*:1] Cc1ccc(c(c1)[C@@H](C)[NH2+][C@H](CO)c1ccccc1F)[*:1]
Cc1cccc(NC(=O)c2cnn(-c3ccncc3)c2C)c1C c1cc(ccn1)[*:1] Cc1cccc(NC(=O)c2cnn(c2C)[*:1])c1C
CCc1ccccc1CNC(=O)NCCc1ccccn1 c1ccc(C[*:1])nc1 CCc1ccccc1CNC(=O)NC[*:1]
CCc1ccccc1CNC(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] CCc1ccccc1CNC(=O)NCC[*:1]
Cc1cc(SCC(=O)NC(C)C)n2ncc(-c3ccc(F)cc3)c2n1 Fc1ccc(cc1)[*:1] Cc1cc(SCC(=O)NC(C)C)n2ncc(c2n1)[*:1]
Cc1cc(SCC(=O)NC(C)C)n2ncc(-c3ccc(F)cc3)c2n1 CC(C)NC(=O)C[*:1] Cc1cc(S[*:1])n2ncc(-c3ccc(F)cc3)c2n1
Cc1cc(SCC(=O)NC(C)C)n2ncc(-c3ccc(F)cc3)c2n1 CC(C)NC(=O)[*:1] Cc1cc(SC[*:1])n2ncc(-c3ccc(F)cc3)c2n1
Cc1cc(SCC(=O)NC(C)C)n2ncc(-c3ccc(F)cc3)c2n1 CC(C)NC(=O)CS[*:1] Cc1cc(n2ncc(-c3ccc(F)cc3)c2n1)[*:1]
Cc1cc(SCC(=O)NC(C)C)n2ncc(-c3ccc(F)cc3)c2n1 CC(C)[*:1] Cc1cc(SCC(=O)N[*:1])n2ncc(-c3ccc(F)cc3)c2n1
O=C(NCCc1n[nH]c(=O)[nH]1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCCc1n[nH]c(=O)[nH]1)c1ccc(cc1)O[*:1]
O=C(NCCc1n[nH]c(=O)[nH]1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(NCCc1n[nH]c(=O)[nH]1)c1ccc(cc1)[*:1]
O=C1NCCC[C@H]1C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] O=C1NCCC[C@H]1C(=O)N/N=C/c1cccc(c1)O[*:1]
O=C1NCCC[C@H]1C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] O=C1NCCC[C@H]1C(=O)N/N=C/c1cccc(c1)[*:1]
CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N2CCC(C)CC2)n1 CCC[*:1] Cc1cc(NC(=O)C(=O)N2CCC(C)CC2)n(n1)-c1nc(cc(=O)[nH]1)[*:1]
COCC[NH+]1CCC(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 COCC[*:1] O=C(NCC1CC[NH+](CC1)[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
COCC[NH+]1CCC(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] COCC[NH+]1CCC(CC1)CNC(=O)c1cc(Cl)ccc1[*:1]
COCC[NH+]1CCC(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 COC[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
[NH2+]=C1c2ccccc2CN1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] [NH2+]=C1c2ccccc2CN1c1cccc(c1)[*:1]
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 C1CO[C@@H](C1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(Cl)cc1)c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 C1CO[C@@H](C1)C[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc(Cl)cc1)[*:1])c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(Cl)cc2)N1C[C@@H]1CCCO1
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 Clc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1[*:1])c1ccc2OCCOc2c1
COC(=O)c1cc(C)ccc1N[C@@H]1CSCCC1(C)C COC(=O)[*:1] Cc1ccc(N[C@@H]2CSCCC2(C)C)c(c1)[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)c2cccnc2Cl)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1ccccc1[*:1])c1cccnc1Cl
Cc1cc(C)n(-c2ccccc2NC(=O)c2cccnc2Cl)n1 Clc1ncccc1[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)[*:1]
Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2)N=C1N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1ccc(cc1)C[*:1] Cc1ccccc1N1C(=O)[C@H](N=C1N1CCN(CC1)Cc1ccc2OCOc2c1)[*:1]
Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2)N=C1N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2)N=C1N1CCN(CC1)C[*:1]
Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2)N=C1N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1ccc(cc1)[*:1] Cc1ccccc1N1C(=O)[C@H](C[*:1])N=C1N1CCN(CC1)Cc1ccc2OCOc2c1
Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2)N=C1N1CCN(Cc2ccc3c(c2)OCO3)CC1 Cc1ccccc1[*:1] O=C1[C@H](Cc2ccccc2)N=C(N2CCN(CC2)Cc2ccc3OCOc3c2)N1[*:1]
Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2)N=C1N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2)N=C1N1CCN(CC1)[*:1]
O=C(c1ccco1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(c1ccco1)N(C[*:1])C1CC1
O=C(c1ccco1)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(c1ccco1)N(Cc1ccccc1)[*:1]
O=C(c1ccco1)N(Cc1ccccc1)C1CC1 c1coc(c1)[*:1] O=C(N(Cc1ccccc1)C1CC1)[*:1]
COc1ccc(-c2noc(-c3cnn(-c4ccccc4)c3)n2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(-c2noc(n2)-c2cnn(c2)[*:1])c(c1)OC
CCC[C@H]1CN(Cc2ccc(CSC(F)F)o2)CCO1 CCC[*:1] FC(F)SCc1ccc(CN2CCO[C@H](C2)[*:1])o1
CCC[C@H]1CN(Cc2ccc(CSC(F)F)o2)CCO1 FC(F)S[*:1] CCC[C@H]1CN(CCO1)Cc1ccc(C[*:1])o1
CCC[C@H]1CN(Cc2ccc(CSC(F)F)o2)CCO1 FC(F)[*:1] CCC[C@H]1CN(CCO1)Cc1ccc(CS[*:1])o1
CCC[C@H]1CN(Cc2ccc(CSC(F)F)o2)CCO1 FC(F)SC[*:1] CCC[C@H]1CN(CCO1)Cc1ccc(o1)[*:1]
CCn1nc(C)c(-c2ccnc(NCc3cnn(Cc4ccccc4)c3)n2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(-c2ccnc(n2)NCc2cnn(c2)C[*:1])c1C
CCn1nc(C)c(-c2ccnc(NCc3cnn(Cc4ccccc4)c3)n2)c1C CCn1nc(C)c(c1C)[*:1] c1ccc(cc1)Cn1cc(cn1)CNc1nccc(n1)[*:1]
CCn1nc(C)c(-c2ccnc(NCc3cnn(Cc4ccccc4)c3)n2)c1C c1ccc(cc1)C[*:1] CCn1nc(C)c(-c2ccnc(n2)NCc2cnn(c2)[*:1])c1C
O=C([O-])CCNC(=O)CCC(=O)c1cccs1 O=C([O-])[*:1] O=C(CCC(=O)c1cccs1)NCC[*:1]
O=C([O-])CCNC(=O)CCC(=O)c1cccs1 O=C([O-])C[*:1] O=C(CCC(=O)c1cccs1)NC[*:1]
O=C([O-])CCNC(=O)CCC(=O)c1cccs1 c1csc(c1)[*:1] O=C([O-])CCNC(=O)CCC(=O)[*:1]
O=C([O-])CCNC(=O)CCC(=O)c1cccs1 O=C([O-])CC[*:1] O=C(CCC(=O)c1cccs1)N[*:1]
NC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCCCC[C@@H]1[NH3+] NC(=O)[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)N1CCCC[C@@H]1[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1C[S@@](=O)c1nc2cc([N+](=O)[O-])ccc2s1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H]1C[S@@](=O)c1nc2cc(ccc2s1)[N+](=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@@H]1C[S@@](=O)c1nc2cc([N+](=O)[O-])ccc2s1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1CCC[C@@H]1C[S@@](=O)c1nc2cc(ccc2s1)[*:1]
CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(C)nc1C(=O)[O-] CCC(C)(C)[*:1] Cc1ccc(O[C@H](C)C(=O)N[*:1])c(n1)C(=O)[O-]
CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(C)nc1C(=O)[O-] O=C([O-])[*:1] CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(C)nc1[*:1]
C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccco2)o1 C[C@H]1C[C@H]1[*:1] c1coc(c1)C[NH2+]Cc1ccc(o1)[*:1]
C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccco2)o1 c1coc(c1)[*:1] C[C@H]1C[C@@H]1c1ccc(C[NH2+]C[*:1])o1
CCOc1cc(C(=O)[O-])c(NC(=O)c2ccccc2OC)cc1OC CCO[*:1] COc1ccccc1C(=O)Nc1cc(OC)c(cc1C(=O)[O-])[*:1]
CCOc1cc(C(=O)[O-])c(NC(=O)c2ccccc2OC)cc1OC O=C([O-])[*:1] CCOc1cc(c(cc1OC)NC(=O)c1ccccc1OC)[*:1]
CCOc1cc(C(=O)[O-])c(NC(=O)c2ccccc2OC)cc1OC COc1ccccc1[*:1] CCOc1cc(C(=O)[O-])c(cc1OC)NC(=O)[*:1]
CCCCCCN1C[C@@H]([NH3+])[C@@H](C)CC1=O CCCC[*:1] C[C@H]1CC(=O)N(CC[*:1])C[C@H]1[NH3+]
CCCCCCN1C[C@@H]([NH3+])[C@@H](C)CC1=O CCC[*:1] C[C@H]1CC(=O)N(CCC[*:1])C[C@H]1[NH3+]
CCCCCCN1C[C@@H]([NH3+])[C@@H](C)CC1=O CCCCC[*:1] C[C@H]1CC(=O)N(C[C@H]1[NH3+])C[*:1]
CC(C)[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1 CC(C)[*:1] O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)[*:1]
CC(C)[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1 O=C([O-])C[*:1] CC(C)[C@@H](NC(=O)OCc1ccccc1)[*:1]
CC(C)[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](CC(=O)[O-])NC(=O)OC[*:1]
CC(C)[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1 O=C([O-])[*:1] CC(C)[C@@H](C[*:1])NC(=O)OCc1ccccc1
CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(C)C)cc1 CCC[*:1] CC(C)COc1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1[*:1]
CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(C)C)cc1 CC(C)C[*:1] CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(cc1)O[*:1]
CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(C)C)cc1 CC(C)CO[*:1] CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(cc1)[*:1]
CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(C)C)cc1 CC(C)[*:1] CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(cc1)OC[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)c2cc(-c3ccco3)[nH]n2)o1 c1coc(c1)[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)c1cc([nH]n1)[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)c2cc(-c3ccco3)[nH]n2)o1 Cc1ccc(o1)[*:1] O=C(c1cc([nH]n1)-c1ccco1)N1CCSC[C@@H]1[*:1]
O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@@H]1c1ccc[nH]1 O=S(=O)(c1ccccc1)[*:1] O=C(c1cccc(c1)C[*:1])N1CCC[C@@H]1c1ccc[nH]1
O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(c1cccc(c1)CS(=O)(=O)c1ccccc1)N1CCC[C@H]1[*:1]
O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@@H]1c1ccc[nH]1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)CS(=O)(=O)[*:1])N1CCC[C@@H]1c1ccc[nH]1
COCCN(C(=O)[C@H](C)n1cccn1)c1ccc(C#N)cc1 c1cnn(c1)[*:1] COCCN(C(=O)[C@H](C)[*:1])c1ccc(C#N)cc1
COCCN(C(=O)[C@H](C)n1cccn1)c1ccc(C#N)cc1 COC[*:1] C[C@@H](C(=O)N(C[*:1])c1ccc(C#N)cc1)n1cccn1
COCCN(C(=O)[C@H](C)n1cccn1)c1ccc(C#N)cc1 COCC[*:1] C[C@@H](C(=O)N(c1ccc(C#N)cc1)[*:1])n1cccn1
C[C@@H]1CC(C(=O)N2CCC[C@H](Oc3ccc(Cl)cn3)C2)C[C@@H](C)O1 Clc1ccc(nc1)O[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCC[C@H](C1)[*:1]
C[C@@H]1CC(C(=O)N2CCC[C@H](Oc3ccc(Cl)cn3)C2)C[C@@H](C)O1 Clc1ccc(nc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCC[C@@H](C1)O[*:1]
CC(C)[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 CC(C)[*:1] C[C@@H]([NH2+][C@H]1CCCc2cccnc21)[*:1]
CC(C)[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 CC(C)[C@@H](C)[*:1] c1cnc2c(c1)CCC[C@@H]2[NH2+][*:1]
CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1CC(F)F FC(F)[*:1] CC[C@@H]1CN(CCN1C[*:1])Cc1cn(C)nc1-c1ccc(cc1)[N+](=O)[O-]
CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1CC(F)F FC(F)C[*:1] CC[C@@H]1CN(CCN1[*:1])Cc1cn(C)nc1-c1ccc(cc1)[N+](=O)[O-]
CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1CC(F)F O=[N+]([O-])[*:1] CC[C@@H]1CN(CCN1CC(F)F)Cc1cn(C)nc1-c1ccc(cc1)[*:1]
CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCN1CC(F)F O=[N+]([O-])c1ccc(cc1)[*:1] CC[C@@H]1CN(CCN1CC(F)F)Cc1cn(C)nc1[*:1]
Brc1cccc(C2=Nn3c(nnc3-c3cccnc3)SC2)c1 c1cncc(c1)[*:1] Brc1cccc(c1)C1CSc2nnc(n2N=1)[*:1]
Brc1cccc(C2=Nn3c(nnc3-c3cccnc3)SC2)c1 Brc1cccc(c1)[*:1] c1cncc(c1)-c1nnc2SCC(=Nn21)[*:1]
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc2ccccc12 CC(=O)N[*:1] COc1ccc(cc1S(=O)(=O)Nc1cccc2ccccc12)[*:1]
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2)c(n1)[*:1])NC[C@@H]1CCCO1
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(CSc1nnc(c(n1)-c1ccccc1)[*:1])NC[C@@H]1CCCO1
CCn1cc[nH+]c1CN1CCN(C[C@H](C#N)CCC#N)CC1 N#CC[*:1] CCn1cc[nH+]c1CN1CCN(CC1)C[C@H](C#N)C[*:1]
CCn1cc[nH+]c1CN1CCN(C[C@H](C#N)CCC#N)CC1 N#CCC[*:1] CCn1cc[nH+]c1CN1CCN(CC1)C[C@H](C#N)[*:1]
CCn1cc[nH+]c1CN1CCN(C[C@H](C#N)CCC#N)CC1 N#CCC[C@@H](C#N)[*:1] CCn1cc[nH+]c1CN1CCN(CC1)C[*:1]
Cc1ccc(CC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1O c1ccc(cc1)[*:1] Cc1ccc(cc1O)CC(=O)N[C@@H]1C[C@@H]1[*:1]
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(=O)n(Cc2ccc(F)cc2)n1 Clc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])c1ccc(=O)n(Cc2ccc(F)cc2)n1
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(=O)n(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1Cl)c1ccc(=O)n(C[*:1])n1
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(=O)n(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccc(Cl)cc1Cl)c1ccc(=O)n(n1)[*:1]
COc1cc(Cl)c(C)cc1NCc1c[nH+]cn1C1CC1 C1CC1[*:1] COc1cc(Cl)c(C)cc1NCc1c[nH+]cn1[*:1]
CCSc1nnc(NC(=O)CSc2nc(C)c(CC)c(=O)[nH]2)s1 CCS[*:1] CCc1c(C)nc([nH]c1=O)SCC(=O)Nc1nnc(s1)[*:1]
NC(=O)[C@H](CC(=O)[O-])c1ccccc1 O=C([O-])C[*:1] NC(=O)[C@H](c1ccccc1)[*:1]
NC(=O)[C@H](CC(=O)[O-])c1ccccc1 O=C([O-])[*:1] NC(=O)[C@H](C[*:1])c1ccccc1
NC(=O)[C@H](CC(=O)[O-])c1ccccc1 NC(=O)[*:1] O=C([O-])C[C@H](c1ccccc1)[*:1]
C[C@@H]1CCCN(c2cc(Nc3cccc(O)c3)c([N+](=O)[O-])c3nonc23)C1 O=[N+]([O-])[*:1] C[C@@H]1CCCN(C1)c1cc(Nc2cccc(O)c2)c(c2nonc12)[*:1]
C[C@@H]1CCCN(c2cc(Nc3cccc(O)c3)c([N+](=O)[O-])c3nonc23)C1 Oc1cccc(c1)N[*:1] C[C@@H]1CCCN(C1)c1cc(c(c2nonc12)[N+](=O)[O-])[*:1]
C[C@@H]1CCCN(c2cc(Nc3cccc(O)c3)c([N+](=O)[O-])c3nonc23)C1 C[C@@H]1CCCN(C1)[*:1] O=[N+]([O-])c1c(cc(c2nonc12)[*:1])Nc1cccc(O)c1
C[C@@H]1CCCN(c2cc(Nc3cccc(O)c3)c([N+](=O)[O-])c3nonc23)C1 Oc1cccc(c1)[*:1] C[C@@H]1CCCN(C1)c1cc(N[*:1])c(c2nonc12)[N+](=O)[O-]
Cc1ccc(C(=O)Nc2nn(C)c3c2[C@H](c2ccccc2)CC(=O)N3)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)Nc1nn(C)c2NC(=O)C[C@@H](c12)[*:1]
Cc1ccc(C(=O)Nc2nn(C)c3c2[C@H](c2ccccc2)CC(=O)N3)cc1C Cc1ccc(cc1C)[*:1] Cn1nc(NC(=O)[*:1])c2c1NC(=O)C[C@H]2c1ccccc1
O=C([O-])CN1CC2(CCC1=O)CC[NH+](Cc1nc3ccccc3[nH]1)CC2 O=C([O-])C[*:1] O=C1CCC2(CC[NH+](CC2)Cc2nc3ccccc3[nH]2)CN1[*:1]
O=C([O-])CN1CC2(CCC1=O)CC[NH+](Cc1nc3ccccc3[nH]1)CC2 O=C([O-])[*:1] O=C1CCC2(CC[NH+](CC2)Cc2nc3ccccc3[nH]2)CN1C[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C[S@](=O)c2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)C[S@](=O)c1nc2cc(ccc2[n-]1)[N+](=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@H](C[S@](=O)c2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[S@](=O)c1nc2cc(ccc2[n-]1)[*:1]
CCOc1ccc(NC(=O)CSc2ccc(Br)cn2)cc1 CCO[*:1] O=C(CSc1ccc(Br)cn1)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)CSc2ccc(Br)cn2)cc1 Brc1ccc(nc1)[*:1] CCOc1ccc(cc1)NC(=O)CS[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)NCCc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] COc1ccc(OC)c(c1)CN1CCN(CC1)C(=O)NC[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)NCCc3ccccc3)CC2)c1 c1ccc(cc1)CC[*:1] COc1ccc(OC)c(c1)CN1CCN(CC1)C(=O)N[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)NCCc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CN1CCN(CC1)C(=O)NCC[*:1]
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 C1CCC(CC1)[*:1] CC(C)(C)OC(=O)N[C@H]1CCN(C1)C(=O)[*:1]
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 CC(C)(C)[*:1] O=C(N[C@H]1CCN(C1)C(=O)C1CCCCC1)O[*:1]
CC(=O)N1CC[C@@H](COCC[NH3+])C1 [NH3+]CCO[*:1] CC(=O)N1CC[C@H](C1)C[*:1]
CC(=O)N1CC[C@@H](COCC[NH3+])C1 [NH3+]CC[*:1] CC(=O)N1CC[C@@H](CO[*:1])C1
COc1ccc(S(=O)(=O)NC2CCN(C(=O)COc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)CO[*:1]
COc1ccc(S(=O)(=O)NC2CCN(C(=O)COc3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccccc1)N1CCC(CC1)NS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)NC2CCN(C(=O)COc3ccccc3)CC2)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)C[*:1]
COc1ccc(S(=O)(=O)NC2CCN(C(=O)COc3ccccc3)CC2)cc1 c1ccc(cc1)OC[*:1] COc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)[*:1]
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1COc2ccccc2O1 O=S(=O)(N1CCCC1)[*:1] O=C(NNS(=O)(=O)c1ccc(cc1)[*:1])[C@@H]1COc2ccccc2O1
CC[C@H](CCO)NC(=O)N[C@H](C)c1c(F)cccc1Cl OCC[*:1] CC[C@H](NC(=O)N[C@H](C)c1c(F)cccc1Cl)[*:1]
CC[C@H](CCO)NC(=O)N[C@H](C)c1c(F)cccc1Cl CC[C@H](CCO)[*:1] C[C@@H](NC(=O)N[*:1])c1c(F)cccc1Cl
COc1ccccc1NCC(=O)Nc1ccccc1N1CCCC1=O COc1ccccc1[*:1] O=C(CN[*:1])Nc1ccccc1N1CCCC1=O
COc1ccccc1NCC(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] COc1ccccc1NCC(=O)Nc1ccccc1[*:1]
CSCCCNC(=O)N1CC[C@H](C)[C@@H](O)C1 CSCC[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NC[*:1]
CSCCCNC(=O)N1CC[C@H](C)[C@@H](O)C1 CSC[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NCC[*:1]
CSCCCNC(=O)N1CC[C@H](C)[C@@H](O)C1 CSCCC[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)N[*:1]
O=C(C1CCCCC1)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)nc2C1 C1CCC(CC1)[*:1] O=C([C@@H]1CCCO1)N1CCCC[C@@H]1c1nc(O)c2CCN(Cc2n1)C(=O)[*:1]
O=C(CCn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(CCn1cnc2scc(c2c1=O)[*:1])Nc1ccccc1F
O=C(CCn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CCn1cnc2scc(-c3ccccc3)c2c1=O)N[*:1]
CCC[NH2+][C@@H](c1ccc(Cl)c(OC)c1)[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] CCC[NH2+][C@@H](c1ccc(Cl)c(c1)OC)[*:1]
CCC[NH2+][C@@H](c1ccc(Cl)c(OC)c1)[C@@H]1COCCO1 CCC[*:1] COc1cc(ccc1Cl)[C@H]([NH2+][*:1])[C@@H]1COCCO1
CC1(C)CCCC[C@@H]1C[NH2+]C1CC1 C1CC1[*:1] CC1(C)CCCC[C@@H]1C[NH2+][*:1]
O=C(Nc1ccc(-n2cncn2)c(F)c1)[C@H]1SCCc2ccccc21 c1ncn(n1)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])[C@H]1SCCc2ccccc21
CC(C)Oc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc1 CC(C)[*:1] O=C1C[C@@H](c2ccc(cc2)O[*:1])c2snc(C(=O)[O-])c2N1
CC(C)Oc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc1 O=C([O-])[*:1] CC(C)Oc1ccc(cc1)[C@@H]1CC(=O)Nc2c(nsc21)[*:1]
CC(C)Oc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc1 CC(C)O[*:1] O=C1C[C@@H](c2ccc(cc2)[*:1])c2snc(C(=O)[O-])c2N1
Cn1cc(S(=O)(=O)NCC2CCC(c3cc(C(N)=O)c4ccccc4n3)CC2)cn1 Cn1cc(cn1)S(=O)(=O)N[*:1] NC(=O)c1cc(nc2ccccc12)C1CCC(CC1)C[*:1]
Cn1cc(S(=O)(=O)NCC2CCC(c3cc(C(N)=O)c4ccccc4n3)CC2)cn1 Cn1cc(cn1)[*:1] NC(=O)c1cc(nc2ccccc12)C1CCC(CC1)CNS(=O)(=O)[*:1]
Cn1cc(S(=O)(=O)NCC2CCC(c3cc(C(N)=O)c4ccccc4n3)CC2)cn1 NC(=O)[*:1] Cn1cc(cn1)S(=O)(=O)NCC1CCC(CC1)c1cc(c2ccccc2n1)[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1noc(C)c1CCCNC(=O)N1CCN(CC1)C(=O)O[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 Cc1noc(C)c1C[*:1] CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NCC[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 Cc1noc(C)c1[*:1] CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NCCC[*:1]
CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C
CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] CC(=O)N[C@@H](C)C(=O)N1CCN(CC1)C(=O)[*:1]
CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)c2cccnc2)CC1 CC(=O)N[*:1] C[C@@H](C(=O)N1CCN(CC1)C(=O)c1cccnc1)[*:1]
CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)c2cccnc2)CC1 CC(=O)N[C@@H](C)[*:1] O=C(c1cccnc1)N1CCN(CC1)C(=O)[*:1]
Clc1ccc2c(c1)nc([C@@H]1CCCO1)n2Cc1ccco1 c1coc(c1)C[*:1] Clc1ccc2c(c1)nc([C@@H]1CCCO1)n2[*:1]
Clc1ccc2c(c1)nc([C@@H]1CCCO1)n2Cc1ccco1 C1CO[C@@H](C1)[*:1] Clc1ccc2c(c1)nc(n2Cc1ccco1)[*:1]
Clc1ccc2c(c1)nc([C@@H]1CCCO1)n2Cc1ccco1 c1coc(c1)[*:1] Clc1ccc2c(c1)nc([C@@H]1CCCO1)n2C[*:1]
COc1ccc(C(=O)N2N=C(c3ccc(OC)cc3)C[C@]2(O)C(F)(F)F)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@@](O)(N(N=1)C(=O)[*:1])C(F)(F)F
COc1ccc(C(=O)N2N=C(c3ccc(OC)cc3)C[C@]2(O)C(F)(F)F)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N1N=C(C[C@]1(O)C(F)(F)F)[*:1]
COc1ccc(C(=O)N2N=C(c3ccc(OC)cc3)C[C@]2(O)C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C(=O)N1N=C(C[C@@]1(O)[*:1])c1ccc(cc1)OC
Cc1cc(N[C@@H](C)C(=O)OC(C)(C)C)n2ncnc2n1 CC(C)(C)[*:1] Cc1cc(N[C@@H](C)C(=O)O[*:1])n2ncnc2n1
C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cccc(C#N)c1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)C1CCN(CC1)S(=O)(=O)[*:1])C(=O)Nc1cccc(C#N)c1
C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](OC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)N[*:1]
CCc1ccc(C(=O)N2CCCC[C@H]2C(N)=S)o1 NC(=S)[*:1] CCc1ccc(o1)C(=O)N1CCCC[C@@H]1[*:1]
CC(C)OC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)c1ccc(/C=C(\C#N)C(=O)O[*:1])cc1
CC(C)OC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)OC(=O)/C(C#N)=C/c1ccc(cc1)[*:1]
CC(C)OC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1 CC(C)OC(=O)[*:1] CC(C)(C)c1ccc(C=C(C#N)[*:1])cc1
CSC[C@@H](C)NC(=O)N(CC1CC1)[C@H](C)c1ccccc1 C1CC1C[*:1] CSC[C@@H](C)NC(=O)N([C@H](C)c1ccccc1)[*:1]
CSC[C@@H](C)NC(=O)N(CC1CC1)[C@H](C)c1ccccc1 C1CC1[*:1] CSC[C@@H](C)NC(=O)N(C[*:1])[C@H](C)c1ccccc1
CSC[C@@H](C)NC(=O)N(CC1CC1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CSC[C@@H](C)NC(=O)N(CC1CC1)[C@H](C)[*:1]
CSC[C@@H](C)NC(=O)N(CC1CC1)[C@H](C)c1ccccc1 CSC[C@@H](C)[*:1] C[C@H](c1ccccc1)N(CC1CC1)C(=O)N[*:1]
CSC[C@@H](C)NC(=O)N(CC1CC1)[C@H](C)c1ccccc1 CSC[*:1] C[C@H](c1ccccc1)N(CC1CC1)C(=O)N[C@H](C)[*:1]
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc(-c2cccs2)no1 NS(=O)(=O)[*:1] C[C@@H]1Cc2cc(ccc2N1Cc1nc(no1)-c1cccs1)[*:1]
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc(-c2cccs2)no1 c1csc(c1)[*:1] C[C@@H]1Cc2cc(ccc2N1Cc1nc(no1)[*:1])S(N)(=O)=O
Cc1c(F)cccc1NC(=O)C(=O)N1CCN(Cc2ccccc2)CC1 Cc1c(F)cccc1[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)Cc1ccccc1
Cc1c(F)cccc1NC(=O)C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)C(=O)N1CCN(CC1)C[*:1]
Cc1c(F)cccc1NC(=O)C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1c(F)cccc1NC(=O)C(=O)N1CCN(CC1)[*:1]
CCCOCC(=O)NCc1n[nH]c(=S)n1C(C)C CCC[*:1] CC(C)n1c(CNC(=O)CO[*:1])n[nH]c1=S
CCCOCC(=O)NCc1n[nH]c(=S)n1C(C)C CC(C)[*:1] CCCOCC(=O)NCc1n[nH]c(=S)n1[*:1]
CCCOCC(=O)NCc1n[nH]c(=S)n1C(C)C CCCOC[*:1] CC(C)n1c(CNC(=O)[*:1])n[nH]c1=S
CCCOCC(=O)NCc1n[nH]c(=S)n1C(C)C CCCO[*:1] CC(C)n1c(CNC(=O)C[*:1])n[nH]c1=S
CCCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 CCCNC(=O)N[*:1] c1cc(ccc1CC[NH+]1CCSCC1)[*:1]
CCCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)CC[NH+]1CCSCC1)N[*:1]
Cc1c(F)cccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 CC(C)[*:1] Cc1c(F)cccc1NC(=O)c1ccc(cc1)N1CC[NH+](CC1)[*:1]
Cc1c(F)cccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 Cc1c(F)cccc1[*:1] CC(C)[NH+]1CCN(CC1)c1ccc(cc1)C(=O)N[*:1]
COC(=O)N1CCC(NC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] COC(=O)N1CCC(CC1)NC(=O)c1ccc(F)c(c1)[*:1]
O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccoc1 c1cc(co1)[*:1] O=C(Nc1nc(cs1)-c1ccc(F)c(F)c1)[*:1]
CCOC(=O)c1sc2nc([C@@H](C)Nc3ccc(I)cc3)[nH]c(=O)c2c1C Ic1ccc(cc1)N[*:1] CCOC(=O)c1sc2nc([nH]c(=O)c2c1C)[C@@H](C)[*:1]
CCOC(=O)c1sc2nc([C@@H](C)Nc3ccc(I)cc3)[nH]c(=O)c2c1C CCOC(=O)[*:1] Cc1c(sc2nc([nH]c(=O)c12)[C@@H](C)Nc1ccc(I)cc1)[*:1]
CCOC(=O)c1sc2nc([C@@H](C)Nc3ccc(I)cc3)[nH]c(=O)c2c1C Ic1ccc(cc1)[*:1] CCOC(=O)c1sc2nc([nH]c(=O)c2c1C)[C@@H](C)N[*:1]
CCC[NH+]1CCN(C(=O)CC2=c3ccccc3=[NH+][C@H]2Sc2cccc(F)c2)CC1 CCC[*:1] O=C(CC1=c2ccccc2=[NH+][C@H]1Sc1cccc(F)c1)N1CC[NH+](CC1)[*:1]
CCC[NH+]1CCN(C(=O)CC2=c3ccccc3=[NH+][C@H]2Sc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CCC[NH+]1CCN(CC1)C(=O)CC1=c2ccccc2=[NH+][C@H]1S[*:1]
CCC[NH+]1CCN(C(=O)CC2=c3ccccc3=[NH+][C@H]2Sc2cccc(F)c2)CC1 Fc1cccc(c1)S[*:1] CCC[NH+]1CCN(CC1)C(=O)CC1=c2ccccc2=[NH+][C@@H]1[*:1]
CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccc(F)cc2)CO3)C1=O Fc1ccc(cc1)C[*:1] CCOc1ccccc1/C=C1\Oc2c(ccc3OCN(Cc32)[*:1])C1=O
CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccc(F)cc2)CO3)C1=O Fc1ccc(cc1)[*:1] CCOc1ccccc1/C=C1\Oc2c(ccc3OCN(Cc32)C[*:1])C1=O
CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccc(F)cc2)CO3)C1=O CCO[*:1] O=C1/C(=C/c2ccccc2[*:1])Oc2c1ccc1OCN(Cc3ccc(F)cc3)Cc12
CCOc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccc(F)cc2)CO3)C1=O CCOc1ccccc1[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(Cc3ccc(F)cc3)Cc12
O=C(NCc1ccccc1)c1nn(-c2ccc(Cl)cc2)nc1CO c1ccc(cc1)C[*:1] O=C(N[*:1])c1nn(nc1CO)-c1ccc(Cl)cc1
O=C(NCc1ccccc1)c1nn(-c2ccc(Cl)cc2)nc1CO c1ccc(cc1)[*:1] O=C(NC[*:1])c1nn(nc1CO)-c1ccc(Cl)cc1
O=C(NCc1ccccc1)c1nn(-c2ccc(Cl)cc2)nc1CO Clc1ccc(cc1)[*:1] O=C(NCc1ccccc1)c1nn(nc1CO)[*:1]
Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)O1 Cc1ccccc1[*:1] C[C@H](CC(=O)N[*:1])[NH2+]C[C@H]1CC[C@@H](O1)C(N)=O
Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)O1 NC(=O)[*:1] Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[C@H](O1)[*:1]
Cc1ccc(CCNS(=O)(=O)c2cc(Cl)cnc2N)cn1 Cc1ccc(cn1)[*:1] Nc1ncc(Cl)cc1S(=O)(=O)NCC[*:1]
Cn1cc(/C=C/C(=O)c2cccc(F)c2)c(=O)n(C)c1=O Fc1cccc(c1)[*:1] Cn1cc(/C=C/C(=O)[*:1])c(=O)n(C)c1=O
COC[C@H](O)CN(C)c1nc(C(F)(F)F)ccc1C[NH3+] COC[C@H](O)C[*:1] CN(c1nc(ccc1C[NH3+])C(F)(F)F)[*:1]
COC[C@H](O)CN(C)c1nc(C(F)(F)F)ccc1C[NH3+] COC[*:1] CN(C[C@@H](O)[*:1])c1nc(ccc1C[NH3+])C(F)(F)F
COC[C@H](O)CN(C)c1nc(C(F)(F)F)ccc1C[NH3+] COC[C@H](O)[*:1] CN(C[*:1])c1nc(ccc1C[NH3+])C(F)(F)F
COC[C@H](O)CN(C)c1nc(C(F)(F)F)ccc1C[NH3+] FC(F)(F)[*:1] COC[C@H](O)CN(C)c1nc(ccc1C[NH3+])[*:1]
CC1(C)CN(c2ccc(C#N)cc2C(F)(F)F)CCO1 FC(F)(F)[*:1] CC1(C)CN(CCO1)c1ccc(C#N)cc1[*:1]
CC(C)[C@H]1CCCCN1C(=O)NCCC(F)(F)F FC(F)(F)CC[*:1] CC(C)[C@H]1CCCCN1C(=O)N[*:1]
CC(C)[C@H]1CCCCN1C(=O)NCCC(F)(F)F FC(F)(F)[*:1] CC(C)[C@H]1CCCCN1C(=O)NCC[*:1]
CC(C)[C@H]1CCCCN1C(=O)NCCC(F)(F)F CC(C)[*:1] O=C(NCCC(F)(F)F)N1CCCC[C@@H]1[*:1]
CC(C)[C@H]1CCCCN1C(=O)NCCC(F)(F)F FC(F)(F)C[*:1] CC(C)[C@H]1CCCCN1C(=O)NC[*:1]
CCOc1ccc(-c2nn3c(=O)c(NC(=O)c4ccc(C(C)(C)C)cc4)cnc3o2)cc1 CCOc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1cnc2oc(nn2c1=O)[*:1]
CCOc1ccc(-c2nn3c(=O)c(NC(=O)c4ccc(C(C)(C)C)cc4)cnc3o2)cc1 CCO[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1cnc2oc(nn2c1=O)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nn3c(=O)c(NC(=O)c4ccc(C(C)(C)C)cc4)cnc3o2)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)-c1nn2c(=O)c(cnc2o1)NC(=O)c1ccc(cc1)[*:1]
CCOc1ccc(-c2nn3c(=O)c(NC(=O)c4ccc(C(C)(C)C)cc4)cnc3o2)cc1 CC(C)(C)c1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1nn2c(=O)c(cnc2o1)NC(=O)[*:1]
C[C@@H](NC(=O)N(CC1CC1)C1CCCCC1)c1nncn1C C1CC1C[*:1] C[C@@H](NC(=O)N(C1CCCCC1)[*:1])c1nncn1C
C[C@@H](NC(=O)N(CC1CC1)C1CCCCC1)c1nncn1C C1CC1[*:1] C[C@@H](NC(=O)N(C[*:1])C1CCCCC1)c1nncn1C
C[C@@H](NC(=O)N(CC1CC1)C1CCCCC1)c1nncn1C C1CCC(CC1)[*:1] C[C@@H](NC(=O)N(CC1CC1)[*:1])c1nncn1C
C[C@@H](NC(=O)N(CC1CC1)C1CCCCC1)c1nncn1C Cn1cnnc1[*:1] C[C@@H](NC(=O)N(CC1CC1)C1CCCCC1)[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)N2CCOC[C@@H]2C2CC2)n1 CCc1ccccc1[*:1] O=C(c1nn(cc1[O-])[*:1])N1CCOC[C@@H]1C1CC1
CCc1ccccc1-n1cc([O-])c(C(=O)N2CCOC[C@@H]2C2CC2)n1 C1CC1[*:1] CCc1ccccc1-n1cc([O-])c(n1)C(=O)N1CCOC[C@H]1[*:1]
COc1ccc(CNc2ccc(Cl)c(C(=O)[O-])c2)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)CNc1ccc(Cl)c(c1)[*:1]
CCSc1ncc2c(=O)[nH]c(SCC)nc2n1 CCS[*:1] CCSc1nc2nc(ncc2c(=O)[nH]1)[*:1]
CCSc1ncc2c(=O)[nH]c(SCC)nc2n1 CCS[*:1] CCSc1ncc2c(=O)[nH]c(nc2n1)[*:1]
Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)o1 Cc1ccc(o1)[*:1] O=C(COC(=O)C=C[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)o1 Cc1ccc(C=C[*:1])o1 O=C(COC(=O)[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC CCO[*:1] COc1ccc(cc1NC(=O)c1ccccc1[*:1])[N+](=O)[O-]
CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC O=[N+]([O-])[*:1] CCOc1ccccc1C(=O)Nc1cc(ccc1OC)[*:1]
C=CCNC(=O)[C@@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 C=CC[*:1] C[C@@H]([NH2+]CC1(CCOCC1)c1ccc2OCOc2c1)C(=O)N[*:1]
C=CCNC(=O)[C@@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 C=CCNC(=O)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)c1ccc2OCOc2c1)[*:1]
COc1ccc(C(=O)[C@H](C)c2ccncc2)cc1OC c1cc(ccn1)[*:1] COc1ccc(cc1OC)C(=O)[C@H](C)[*:1]
CCn1cc(C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)cn1 Fc1ccc(cc1)[*:1] CCn1cc(cn1)C1CC[NH+](CC1)Cc1c[nH]nc1[*:1]
CCn1cc(C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)cn1 CCn1cc(cn1)[*:1] Fc1ccc(cc1)-c1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
O=C(c1ccccc1F)N1CCC(NC(=O)N2CCC[C@H]3CCC[C@H]32)CC1 Fc1ccccc1[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])N1CCC[C@H]2CCC[C@H]21
COC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCO1 COC(=O)[*:1] C[C@H](C[*:1])[NH2+]C[C@@H]1CCCO1
Cc1ccc(-c2ccc(OCCNC(=O)c3ccc(F)c(F)c3)nn2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCOc1ccc(nn1)[*:1])c1ccc(F)c(F)c1
Cc1ccc(-c2ccc(OCCNC(=O)c3ccc(F)c(F)c3)nn2)cc1 Fc1ccc(cc1F)[*:1] Cc1ccc(cc1)-c1ccc(nn1)OCCNC(=O)[*:1]
COC(=O)c1ccc(CN[C@@H](c2cccs2)C(C)(C)C)cc1 c1csc(c1)[*:1] COC(=O)c1ccc(cc1)CN[C@@H](C(C)(C)C)[*:1]
COC(=O)c1ccc(CN[C@@H](c2cccs2)C(C)(C)C)cc1 CC(C)(C)[*:1] COC(=O)c1ccc(cc1)CN[C@@H](c1cccs1)[*:1]
COC(=O)c1ccc(CN[C@@H](c2cccs2)C(C)(C)C)cc1 COC(=O)[*:1] CC(C)(C)[C@@H](NCc1ccc(cc1)[*:1])c1cccs1
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C(C)C)C2CCC2)c(C)c1 C1CC(C1)[*:1] CCS(=O)(=O)[N-]c1ccc(c(C)c1)S(=O)(=O)N(C(C)C)[*:1]
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C(C)C)C2CCC2)c(C)c1 CC(C)[*:1] CCS(=O)(=O)[N-]c1ccc(c(C)c1)S(=O)(=O)N(C1CCC1)[*:1]
CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1C Cc1ccccc1[*:1] CCOC(=O)[C@H]1C(=O)C=C(C[C@H]1[*:1])c1ccc(C)cc1
CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1C CCOC(=O)[*:1] Cc1ccc(cc1)C1=CC(=O)[C@@H]([C@H](C1)c1ccccc1C)[*:1]
CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1C Cc1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(=O)C=C(C[C@@H]1c1ccccc1C)[*:1]
O=C(Nc1ccc(F)cc1)Nc1cnc2ccccc2c1 Fc1ccc(cc1)[*:1] O=C(Nc1cnc2ccccc2c1)N[*:1]
CCS(=O)(=O)NC1CCN(C(=O)CCCO)CC1 OCC[*:1] CCS(=O)(=O)NC1CCN(CC1)C(=O)C[*:1]
CCS(=O)(=O)NC1CCN(C(=O)CCCO)CC1 CCS(=O)(=O)N[*:1] O=C(CCCO)N1CCC(CC1)[*:1]
CCS(=O)(=O)NC1CCN(C(=O)CCCO)CC1 OCCC[*:1] CCS(=O)(=O)NC1CCN(CC1)C(=O)[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)cc1 CC(C)[*:1] O=C(Nc1ccccc1F)c1nnc(s1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)cc1 O=C(Nc1ccccc1F)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nnc(s1)[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)cc1 Fc1ccccc1[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nnc(s1)C(=O)N[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(Nc1ccccc1F)c1nnc(s1)C1CCN(CC1)S(=O)(=O)[*:1]
CCOc1ccc(CN[C@](C)(C(N)=O)c2cccc(Cl)c2)nc1 Clc1cccc(c1)[*:1] CCOc1ccc(CN[C@](C)(C(N)=O)[*:1])nc1
CCOc1ccc(CN[C@](C)(C(N)=O)c2cccc(Cl)c2)nc1 CCO[*:1] C[C@@](NCc1ccc(cn1)[*:1])(C(N)=O)c1cccc(Cl)c1
CCOc1ccc(CN[C@](C)(C(N)=O)c2cccc(Cl)c2)nc1 NC(=O)[*:1] CCOc1ccc(CN[C@](C)(c2cccc(Cl)c2)[*:1])nc1
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cccs1 c1csc(c1)[*:1] C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)[*:1]
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cccs1 N#Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N[C@@H](c1ccccc1)c1cccs1
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccs1)[*:1]
C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 O=[N+]([O-])[*:1] C[C@H](Nc1ccc(cc1Cl)[*:1])c1ccc(cc1)NC(=O)C1CC1
C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@H](Nc1ccc(cc1Cl)[N+](=O)[O-])c1ccc(cc1)[*:1]
C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@H](Nc1ccc(cc1Cl)[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
CCc1ccc([C@H](C)C(=O)Oc2cccc(C(=O)N(C)CC)c2)cc1 CCc1ccc(cc1)[*:1] CCN(C)C(=O)c1cccc(c1)OC(=O)[C@@H](C)[*:1]
CCc1ccc([C@H](C)C(=O)Oc2cccc(C(=O)N(C)CC)c2)cc1 CCN(C)C(=O)[*:1] CCc1ccc(cc1)[C@H](C)C(=O)Oc1cccc(c1)[*:1]
Cc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 Clc1cccc(c1Cl)[*:1] Cc1ccc(OCC(=O)NN=C[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)c(c1)[*:1]
Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1N1CC[NH+](CC1)C[C@H](O)CO[*:1]
Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] Cc1ccc(Cl)cc1N1CC[NH+](CC1)C[C@H](O)COc1ccc(cc1)[*:1]
Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 Cc1ccc(Cl)cc1[*:1] O=[N+]([O-])c1ccc(cc1)OC[C@@H](O)C[NH+]1CCN(CC1)[*:1]
Cc1cc(-n2nc(C)cc2NC(=O)CCCn2ccnn2)nc(C)n1 c1cn(CCC[*:1])nn1 Cc1cc(nc(C)n1)-n1nc(C)cc1NC(=O)[*:1]
Cc1cc(-n2nc(C)cc2NC(=O)CCCn2ccnn2)nc(C)n1 Cc1cc(nc(C)n1)[*:1] Cc1cc(NC(=O)CCCn2ccnn2)n(n1)[*:1]
Cc1cc(-n2nc(C)cc2NC(=O)CCCn2ccnn2)nc(C)n1 c1cn(C[*:1])nn1 Cc1cc(nc(C)n1)-n1nc(C)cc1NC(=O)CC[*:1]
Cc1cc(-n2nc(C)cc2NC(=O)CCCn2ccnn2)nc(C)n1 c1cn(CC[*:1])nn1 Cc1cc(nc(C)n1)-n1nc(C)cc1NC(=O)C[*:1]
Cc1cc(-n2nc(C)cc2NC(=O)CCCn2ccnn2)nc(C)n1 c1cn(nn1)[*:1] Cc1cc(nc(C)n1)-n1nc(C)cc1NC(=O)CCC[*:1]
CC1CCC(NC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 O=S(=O)(NC1CC1)[*:1] CC1CCC(CC1)NC(=O)Nc1ccc(cc1)[*:1]
CC1CCC(NC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 C1CC1[*:1] CC1CCC(CC1)NC(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CC1CCC(NC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 CC1CCC(CC1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC1CC1)N[*:1]
Cc1ccccc1/[NH+]=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1CCO OCC[*:1] Cc1ccccc1/[NH+]=c1\scc(-c2ccc(cc2)[N+](=O)[O-])n1[*:1]
Cc1ccccc1/[NH+]=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1CCO Cc1ccccc1[*:1] O=[N+]([O-])c1ccc(cc1)-c1csc(=[NH+][*:1])n1CCO
Cc1ccccc1/[NH+]=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1CCO O=[N+]([O-])[*:1] Cc1ccccc1/[NH+]=c1\scc(-c2ccc(cc2)[*:1])n1CCO
CN(C(=O)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1ccc(cc1)-c1cc(ncn1)NC1CCCCC1)[*:1]
CN(C(=O)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1ccc(cc1)-c1cc(ncn1)N[*:1])C1CCCCC1
CN(C(=O)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1)C1CCCCC1 C1CCC(CC1)N[*:1] CN(C(=O)c1ccc(cc1)-c1cc(ncn1)[*:1])C1CCCCC1
Cc1ccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)cc1C CC(C)[*:1] Cc1ccc(cc1C)NC(=O)c1ccc2nc(oc2c1)[*:1]
c1ccc(-c2nc(-c3ccco3)c3ccccn23)cc1 c1ccc(cc1)[*:1] c1coc(c1)-c1nc(n2ccccc12)[*:1]
c1ccc(-c2nc(-c3ccco3)c3ccccn23)cc1 c1coc(c1)[*:1] c1ccc(cc1)-c1nc(c2ccccn12)[*:1]
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccc(cc1)[N+](=O)[O-]
C[C@@H](Oc1ccc(OCc2ncc(-c3cccc(F)c3)o2)cc1)C(N)=O NC(=O)[*:1] C[C@@H](Oc1ccc(cc1)OCc1ncc(o1)-c1cccc(F)c1)[*:1]
C[C@@H](Oc1ccc(OCc2ncc(-c3cccc(F)c3)o2)cc1)C(N)=O C[C@@H](O[*:1])C(N)=O Fc1cccc(c1)-c1cnc(COc2ccc(cc2)[*:1])o1
C[C@@H](Oc1ccc(OCc2ncc(-c3cccc(F)c3)o2)cc1)C(N)=O Fc1cccc(c1)[*:1] C[C@@H](Oc1ccc(cc1)OCc1ncc(o1)[*:1])C(N)=O
CCOc1cc2c(cc1NC(=O)c1cc(C(C)C)no1)O[C@@H](C)C2 CCO[*:1] CC(C)c1cc(on1)C(=O)Nc1cc2O[C@@H](C)Cc2cc1[*:1]
CCOc1cc2c(cc1NC(=O)c1cc(C(C)C)no1)O[C@@H](C)C2 CC(C)[*:1] CCOc1cc2C[C@H](C)Oc2cc1NC(=O)c1cc(no1)[*:1]
CCOc1cc2c(cc1NC(=O)c1cc(C(C)C)no1)O[C@@H](C)C2 CC(C)c1cc(on1)[*:1] CCOc1cc2C[C@H](C)Oc2cc1NC(=O)[*:1]
COC[C@H]1CN(Cc2ccc(SC(=O)N(C)C)cc2)CCO1 CN(C)C(=O)S[*:1] COC[C@H]1CN(CCO1)Cc1ccc(cc1)[*:1]
COC[C@H]1CN(Cc2ccc(SC(=O)N(C)C)cc2)CCO1 COC[*:1] CN(C)C(=O)Sc1ccc(cc1)CN1CCO[C@H](C1)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccn(-c2ncccc2Cl)n1 Cc1noc(C)c1[*:1] C[C@@H](C(=O)Nc1ccn(n1)-c1ncccc1Cl)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccn(n1)[*:1]
COCc1ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)cc1 COC[*:1] C[C@@H]1C[NH+](Cc2ccc(cc2)[*:1])C[C@H]1C
Cn1c(=O)c2c(C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)cc(=O)n(C)c2n(C)c1=O Clc1cccc(c1)[*:1] Cn1c(=O)c2c(cc(=O)n(C)c2n(C)c1=O)C(=O)NCCN1CCN(CC1)[*:1]
COc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)-c1nn2c(nnc2s1)[*:1]
O=C([C@@H]1CCCN1C(=O)C1CC1)N1CC[C@@H](CSc2ccccc2)C1 C1CC1[*:1] O=C([C@@H]1CCCN1C(=O)[*:1])N1CC[C@@H](CSc2ccccc2)C1
O=C([C@@H]1CCCN1C(=O)C1CC1)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)SC[*:1] O=C([C@@H]1CCCN1C(=O)C1CC1)N1CC[C@@H](C1)[*:1]
O=C([C@@H]1CCCN1C(=O)C1CC1)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)S[*:1] O=C([C@@H]1CCCN1C(=O)C1CC1)N1CC[C@H](C1)C[*:1]
O=C([C@@H]1CCCN1C(=O)C1CC1)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCN1C(=O)C1CC1)N1CC[C@@H](CS[*:1])C1
CC(C)OC1CCC(NC(=O)NCC2(C)Cc3ccccc3C2)CC1 CC(C)O[*:1] CC1(CNC(=O)NC2CCC(CC2)[*:1])Cc2ccccc2C1
CC(C)OC1CCC(NC(=O)NCC2(C)Cc3ccccc3C2)CC1 CC(C)[*:1] CC1(CNC(=O)NC2CCC(CC2)O[*:1])Cc2ccccc2C1
Cc1noc(CNC(=O)NCC2(C)Cc3ccccc3C2)n1 Cc1noc(n1)[*:1] CC1(CNC(=O)NC[*:1])Cc2ccccc2C1
Cc1noc(CNC(=O)NCC2(C)Cc3ccccc3C2)n1 Cc1noc(C[*:1])n1 CC1(CNC(=O)N[*:1])Cc2ccccc2C1
CNC(=O)[C@H](C)CN(C)CC[NH+]1CCCC1 CNC(=O)[*:1] C[C@H](CN(C)CC[NH+]1CCCC1)[*:1]
CCn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 FC(F)(F)[*:1] CCn1c(Cn2c(nc3ccccc32)[*:1])nc2cc(ccc21)S(=O)(=O)N1CCOCC1
CCn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 O=S(=O)(N1CCOCC1)[*:1] CCn1c(Cn2c(nc3ccccc32)C(F)(F)F)nc2cc(ccc21)[*:1]
C[C@H](Cc1ccco1)NC(=O)[C@H]1CC(=O)N(C)C1 c1coc(c1)C[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)[*:1]
C[C@H](Cc1ccco1)NC(=O)[C@H]1CC(=O)N(C)C1 c1coc(c1)[*:1] C[C@H](C[*:1])NC(=O)[C@H]1CC(=O)N(C)C1
COc1cccc(OC/C=C/CN2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)OC/C=C/C[*:1]
Cc1cc(C)c(C)c(OC(=O)c2cn(Cc3cccnc3)nn2)c1 c1cncc(c1)C[*:1] Cc1cc(C)c(C)c(c1)OC(=O)c1cn(nn1)[*:1]
Cc1cc(C)c(C)c(OC(=O)c2cn(Cc3cccnc3)nn2)c1 c1cncc(c1)[*:1] Cc1cc(C)c(C)c(c1)OC(=O)c1cn(C[*:1])nn1
O=C(Nc1ccccc1Cn1cncn1)c1cc(Cc2ccccc2)ccc1O c1ncn(n1)[*:1] O=C(Nc1ccccc1C[*:1])c1cc(ccc1O)Cc1ccccc1
O=C(Nc1ccccc1Cn1cncn1)c1cc(Cc2ccccc2)ccc1O c1ccc(cc1)C[*:1] O=C(Nc1ccccc1Cn1cncn1)c1cc(ccc1O)[*:1]
O=C(Nc1ccccc1Cn1cncn1)c1cc(Cc2ccccc2)ccc1O c1ncn(C[*:1])n1 O=C(Nc1ccccc1[*:1])c1cc(ccc1O)Cc1ccccc1
O=C(Nc1ccccc1Cn1cncn1)c1cc(Cc2ccccc2)ccc1O c1ccc(cc1)[*:1] O=C(Nc1ccccc1Cn1cncn1)c1cc(ccc1O)C[*:1]
CC1CCN(C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC1CCN(CC1)C(=O)COc1cc(cc(c1)[*:1])C(F)(F)F
O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(c1oc2ccccc2c1[*:1])N1CCN(CC1)c1ncccn1
O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)c1ccccc1 c1cnc(nc1)[*:1] O=C(Nc1c(oc2ccccc12)C(=O)N1CCN(CC1)[*:1])c1ccccc1
O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1oc2ccccc2c1NC(=O)[*:1])N1CCN(CC1)c1ncccn1
N#CCC[C@@H](C#N)CN1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] N#CCC[C@@H](C#N)CN1CC[NH+](CC1)C[*:1]
N#CCC[C@@H](C#N)CN1CC[NH+](CCc2ccccc2)CC1 N#CCC[*:1] N#C[C@@H](CN1CC[NH+](CCc2ccccc2)CC1)[*:1]
N#CCC[C@@H](C#N)CN1CC[NH+](CCc2ccccc2)CC1 N#CC[*:1] N#C[C@@H](CN1CC[NH+](CCc2ccccc2)CC1)C[*:1]
N#CCC[C@@H](C#N)CN1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)[*:1] N#CCC[C@@H](C#N)CN1CC[NH+](CC1)CC[*:1]
N#CCC[C@@H](C#N)CN1CC[NH+](CCc2ccccc2)CC1 N#CCC[C@@H](C#N)[*:1] c1ccc(cc1)CC[NH+]1CCN(CC1)C[*:1]
CCC(C)(C)NC(=O)c1cccc(C(=O)N(C)C)c1 CCC(C)(C)[*:1] CN(C)C(=O)c1cccc(c1)C(=O)N[*:1]
CCC(C)(C)NC(=O)c1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCC(C)(C)NC(=O)c1cccc(c1)[*:1]
CC(=O)Nc1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CC(=O)Nc1cc(ccc1C)Nc1ccc(cc1[N+](=O)[O-])[*:1]
CC(=O)Nc1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CC(=O)Nc1cc(ccc1C)Nc1ccc(cc1[*:1])[N+](=O)[O-]
CC(=O)Nc1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Cc1nc(-c2ccsc2)ccc1C(=O)NOCC(N)=O NC(=O)[*:1] Cc1nc(ccc1C(=O)NOC[*:1])-c1ccsc1
Cc1nc(-c2ccsc2)ccc1C(=O)NOCC(N)=O NC(=O)C[*:1] Cc1nc(ccc1C(=O)NO[*:1])-c1ccsc1
Cc1nc(-c2ccsc2)ccc1C(=O)NOCC(N)=O c1cc(cs1)[*:1] Cc1nc(ccc1C(=O)NOCC(N)=O)[*:1]
COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1ccccc1Cl C1CCC(C1)[*:1] COc1ccc2c(c1)[C@@]1(SCCN1C(=O)[*:1])C(=O)N2Cc1ccccc1Cl
COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1ccccc1Cl Clc1ccccc1[*:1] COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2C[*:1]
COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1ccccc1Cl Clc1ccccc1C[*:1] COc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2[*:1]
Cc1cc(C[C@@H]2COC[C@@H]2Nc2ncnc3sc(C)c(C)c23)on1 Cc1cc(on1)[*:1] Cc1sc2ncnc(N[C@H]3COC[C@H]3C[*:1])c2c1C
Cc1cc(C[C@@H]2COC[C@@H]2Nc2ncnc3sc(C)c(C)c23)on1 Cc1cc(C[*:1])on1 Cc1sc2ncnc(N[C@H]3COC[C@H]3[*:1])c2c1C
CNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 CNC(=O)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(Cl)s1
CCC(=O)Nc1ccc(C(=O)Nc2ncccn2)cc1 CCC(=O)N[*:1] O=C(Nc1ncccn1)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(C(=O)Nc2ncccn2)cc1 c1cnc(nc1)[*:1] CCC(=O)Nc1ccc(cc1)C(=O)N[*:1]
COCCOc1cccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 COC[*:1] O=C(Nc1cccc(c1)OC[*:1])N1CCCC[C@@H]1c1[nH]cc[nH+]1
COCCOc1cccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 COCC[*:1] O=C(Nc1cccc(c1)O[*:1])N1CCCC[C@@H]1c1[nH]cc[nH+]1
COCCOc1cccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 COCCO[*:1] O=C(Nc1cccc(c1)[*:1])N1CCCC[C@@H]1c1[nH]cc[nH+]1
CC(C)[C@@H]1C(=O)N[C@](C)(C2CC2)C(=O)N1c1ccn(C)n1 Cn1ccc(n1)[*:1] CC(C)[C@@H]1C(=O)N[C@@](C)(C(=O)N1[*:1])C1CC1
CC(C)[C@@H]1C(=O)N[C@](C)(C2CC2)C(=O)N1c1ccn(C)n1 CC(C)[*:1] Cn1ccc(n1)N1C(=O)[C@](C)(NC(=O)[C@H]1[*:1])C1CC1
CC(C)[C@@H]1C(=O)N[C@](C)(C2CC2)C(=O)N1c1ccn(C)n1 C1CC1[*:1] CC(C)[C@@H]1C(=O)N[C@](C)(C(=O)N1c1ccn(C)n1)[*:1]
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 C1CC(C1)C[*:1] C[C@H](c1ccccc1)N(C(=O)[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 C[C@H](c1ccccc1)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C(=O)N(CC1CCC1)[*:1]
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 c1ccc(cc1)[*:1] C[C@H](N(CC1CCC1)C(=O)[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 C1CC(C1)[*:1] C[C@H](c1ccccc1)N(C[*:1])C(=O)[C@@H]1CCCN(C1)S(C)(=O)=O
Fc1ccccc1-c1nnc2n1N=C(c1ccccc1Cl)CS2 Fc1ccccc1[*:1] Clc1ccccc1C1CSc2nnc(n2N=1)[*:1]
Fc1ccccc1-c1nnc2n1N=C(c1ccccc1Cl)CS2 Clc1ccccc1[*:1] Fc1ccccc1-c1nnc2SCC(=Nn21)[*:1]
CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cc(F)cc(F)c21 O=C1CCC(=O)N1C[*:1] CCn1/c(=N/C(=O)[*:1])sc2cc(F)cc(F)c21
CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cc(F)cc(F)c21 O=C1CCC(=O)N1[*:1] CCn1/c(=N/C(=O)C[*:1])sc2cc(F)cc(F)c21
COC[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 COC[*:1] O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)N[C@H](C1CC1)[*:1]
COC[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 c1ccc(cc1)[*:1] COC[C@H](NC(=O)N[C@@H]1CCCN(C[*:1])C1=O)C1CC1
COC[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 c1ccc(cc1)C[*:1] COC[C@H](NC(=O)N[C@@H]1CCCN(C1=O)[*:1])C1CC1
COC[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 C1CC1[*:1] COC[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
CN(Cc1nc(-c2ccccn2)no1)C(=O)[C@@H]1Cc2ccccc2N1 c1ccc(nc1)[*:1] CN(Cc1nc(no1)[*:1])C(=O)[C@@H]1Cc2ccccc2N1
CN(C)[C@H](CNCc1cc(F)ccc1F)c1ccco1 CN(C)[*:1] Fc1ccc(F)c(c1)CNC[C@H](c1ccco1)[*:1]
CN(C)[C@H](CNCc1cc(F)ccc1F)c1ccco1 c1coc(c1)[*:1] CN(C)[C@H](CNCc1cc(F)ccc1F)[*:1]
CCn1nc(C)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] CCn1nc(C)cc1C(=O)N1CC[C@H]([C@H]1C)[*:1]
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1Cl CCO[*:1] O=C(Nc1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1)c1ccccc1Cl
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] CCOc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCOCC1
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1Cl O=S(=O)(N1CCOCC1)[*:1] CCOc1ccc(cc1NC(=O)c1ccccc1Cl)[*:1]
C=CCn1c(=O)c2c(nc3n(CCc4ccc(OC)c(OC)c4)c(C)cn23)n(C)c1=O C=CC[*:1] COc1ccc(cc1OC)CCn1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
C=CCn1c(=O)c2c(nc3n(CCc4ccc(OC)c(OC)c4)c(C)cn23)n(C)c1=O COc1ccc(cc1OC)[*:1] C=CCn1c(=O)c2c(nc3n(CC[*:1])c(C)cn23)n(C)c1=O
COC[C@H]1CCCN(C(=O)C(=O)Nc2ccc3oc(C)nc3c2)C1 COC[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
CCOc1cccc(N[C@H](C)[C@@H](C)C(=O)OC)c1 COC(=O)[*:1] CCOc1cccc(c1)N[C@H](C)[C@@H](C)[*:1]
CCOc1cccc(N[C@H](C)[C@@H](C)C(=O)OC)c1 COC(=O)[C@H](C)[*:1] CCOc1cccc(c1)N[C@H](C)[*:1]
CCOc1cccc(N[C@H](C)[C@@H](C)C(=O)OC)c1 CCO[*:1] COC(=O)[C@H](C)[C@@H](C)Nc1cccc(c1)[*:1]
CC(C)[C@@H](NC(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 CC(C)[*:1] O=C(CNc1ccc(F)c(c1)[N+](=O)[O-])N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CNc1ccc(F)c(c1)[N+](=O)[O-])[*:1]
CC(C)[C@@H](NC(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 O=[N+]([O-])[*:1] CC(C)[C@@H](NC(=O)CNc1ccc(F)c(c1)[*:1])c1ccccc1
C[C@H](O/N=C(/N)C(F)(F)F)C(=O)N[C@@H](C)c1ccc(F)cc1 FC(F)(F)[*:1] C[C@H](O/N=C(/N)[*:1])C(=O)N[C@@H](C)c1ccc(F)cc1
C[C@H](O/N=C(/N)C(F)(F)F)C(=O)N[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](O/N=C(/N)C(F)(F)F)C(=O)N[C@@H](C)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(N)=O NC(=O)[*:1] C[C@@H](Oc1ccc(Cl)cc1)[*:1]
Cc1noc(C)c1CN1CCC[C@H]1c1noc(C(C)C)n1 CC(C)[*:1] Cc1noc(C)c1CN1CCC[C@H]1c1noc(n1)[*:1]
Cc1noc(C)c1CN1CCC[C@H]1c1noc(C(C)C)n1 Cc1noc(C)c1[*:1] CC(C)c1nc(no1)[C@@H]1CCCN1C[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)Cc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc2O[C@@H](C)C(=O)Nc2c1)C[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)Cc2ccco2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc2O[C@@H](C)C(=O)Nc2c1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)Cc2ccco2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)CN(Cc1ccco1)S(=O)(=O)[*:1]
CC[C@@H](C)N1C(=O)[C@H](CC(C)C)NC(=O)[C@@]1(C)C1CC1 C1CC1[*:1] CC[C@@H](C)N1C(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)[*:1]
CC[C@@H](C)N1C(=O)[C@H](CC(C)C)NC(=O)[C@@]1(C)C1CC1 CC[C@@H](C)[*:1] CC(C)C[C@@H]1NC(=O)[C@@](C)(C2CC2)N(C1=O)[*:1]
CC[C@@H](C)N1C(=O)[C@H](CC(C)C)NC(=O)[C@@]1(C)C1CC1 CC(C)C[*:1] CC[C@@H](C)N1C(=O)[C@H](NC(=O)[C@@]1(C)C1CC1)[*:1]
CC[C@@H](C)N1C(=O)[C@H](CC(C)C)NC(=O)[C@@]1(C)C1CC1 CC(C)[*:1] CC[C@@H](C)N1C(=O)[C@H](C[*:1])NC(=O)[C@@]1(C)C1CC1
Cc1nn(C[C@@H]2[NH2+][C@@H](C(=O)[O-])CS2)c(C)c1Cl O=C([O-])[*:1] Cc1nn(C[C@@H]2[NH2+][C@@H](CS2)[*:1])c(C)c1Cl
C[C@@H](CNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC[*:1]
C[C@@H](CNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)[*:1]
C[C@@H](CNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1 C[C@@H](C[*:1])c1ccccc1 O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)N[*:1]
COc1ccc(/C=C(\C#N)C(=O)N(C)C)c2ccccc12 CN(C)C(=O)[*:1] COc1ccc(C=C(C#N)[*:1])c2ccccc12
Cc1cccn2c(=O)c(C(=O)N(C[C@H](O)c3ccccc3)C3CC3)cnc12 O[C@@H](C[*:1])c1ccccc1 Cc1cccn2c(=O)c(cnc12)C(=O)N(C1CC1)[*:1]
Cc1cccn2c(=O)c(C(=O)N(C[C@H](O)c3ccccc3)C3CC3)cnc12 C1CC1[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(C[C@H](O)c1ccccc1)[*:1]
Cc1cccn2c(=O)c(C(=O)N(C[C@H](O)c3ccccc3)C3CC3)cnc12 O[C@H](c1ccccc1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(C[*:1])C1CC1
Cc1cccn2c(=O)c(C(=O)N(C[C@H](O)c3ccccc3)C3CC3)cnc12 c1ccc(cc1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(C[C@H](O)[*:1])C1CC1
O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cc(n[nH]1)[*:1]
O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cc(-c2ccccc2)n[nH]1 Fc1cccc(c1)[*:1] O=C(NCCOc1ccc2nnc(n2n1)[*:1])c1cc(n[nH]1)-c1ccccc1
O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)-c1cc([nH]n1)[*:1] O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)[*:1]
CSc1nc(SC)nc(-c2ccc([N+](=O)[O-])o2)n1 O=[N+]([O-])[*:1] CSc1nc(nc(n1)-c1ccc(o1)[*:1])SC
Cc1ccc(O[C@H](C)CNC(=O)c2ccccc2F)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccccc1F)O[*:1]
Cc1ccc(O[C@H](C)CNC(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)[*:1]
COC(=O)[C@@H](NC(=O)[C@@H](C)Cc1ccccc1F)c1ccc(F)c(F)c1 Fc1ccccc1[*:1] COC(=O)[C@@H](NC(=O)[C@@H](C)C[*:1])c1ccc(F)c(F)c1
COC(=O)[C@@H](NC(=O)[C@@H](C)Cc1ccccc1F)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC(=O)[C@@H](NC(=O)[C@@H](C)Cc1ccccc1F)[*:1]
COC(=O)[C@@H](NC(=O)[C@@H](C)Cc1ccccc1F)c1ccc(F)c(F)c1 COC(=O)[*:1] C[C@@H](Cc1ccccc1F)C(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COC(=O)[C@@H](NC(=O)[C@@H](C)Cc1ccccc1F)c1ccc(F)c(F)c1 Fc1ccccc1C[*:1] COC(=O)[C@@H](NC(=O)[C@@H](C)[*:1])c1ccc(F)c(F)c1
COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)ccc1O COc1cc(ccc1O)[*:1] CC1=Nc2c(c(O)nn2[C@@H]2CCOC(C)(C)C2)[C@H](S1)[*:1]
CC1(C)CCC[C@@H]1NC(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] CC1(C)CCC[C@@H]1NC(=O)N1CCC(CC1)O[*:1]
CC1(C)CCC[C@@H]1NC(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] CC1(C)CCC[C@@H]1NC(=O)N1CCC(CC1)OC[*:1]
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Br)cc1 O=S(=O)(N1CCOCC1)[*:1] C[C@@H](NC(=O)Cc1ccc(s1)[*:1])c1ccc(Br)cc1
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)Cc1ccc(s1)S(=O)(=O)N1CCOCC1)[*:1]
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Br)cc1 C[C@@H](c1ccc(Br)cc1)[*:1] O=C(Cc1ccc(s1)S(=O)(=O)N1CCOCC1)N[*:1]
FC(F)(F)c1ccc2[nH]ncc2c1 FC(F)(F)[*:1] c1cc2[nH]ncc2cc1[*:1]
O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 c1coc(c1)[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1F
O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 O=C(NCc1ccco1)[*:1] O=C(c1ccc(F)cc1F)N1CCC(CC1)C(=O)N1CCC[C@H]1[*:1]
O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 c1coc(c1)C[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1F
O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)C1CCN(CC1)C(=O)[*:1]
CCOC(=O)c1ccc(NC(=O)Nc2ccc(CCO)cc2)cc1 OCC[*:1] CCOC(=O)c1ccc(cc1)NC(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(NC(=O)Nc2ccc(CCO)cc2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)CCO)Nc1ccc(cc1)[*:1]
C[NH2+][C@H](c1ccn(C)n1)[C@H]1CCc2cccnc21 Cn1ccc(n1)[*:1] C[NH2+][C@H]([C@H]1CCc2cccnc21)[*:1]
C[C@@H](C(=O)Nc1cccc(C2SCCS2)c1)n1cncn1 C[C@@H](n1cncn1)[*:1] O=C(Nc1cccc(c1)C1SCCS1)[*:1]
C[C@@H](C(=O)Nc1cccc(C2SCCS2)c1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)Nc1cccc(c1)C1SCCS1)[*:1]
C[C@@H](C(=O)Nc1cccc(C2SCCS2)c1)n1cncn1 C1CSC(S1)[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])n1cncn1
CCC(=O)Nc1ccc(Cl)c(NC(=O)CCCc2ccc(C)s2)c1 Cc1ccc(C[*:1])s1 CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)CC[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)CCCc2ccc(C)s2)c1 Cc1ccc(CC[*:1])s1 CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)C[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)CCCc2ccc(C)s2)c1 Cc1ccc(s1)[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)CCC[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)CCCc2ccc(C)s2)c1 CCC(=O)N[*:1] Cc1ccc(CCCC(=O)Nc2cc(ccc2Cl)[*:1])s1
C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)CC(=O)N1C[C@H](C)C[C@@H](C)C1 Fc1ccc(cc1F)[*:1] C[C@@H](S(=O)(=O)CC(=O)N1C[C@H](C)C[C@@H](C)C1)[*:1]
CSc1ccc([C@H](C)[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 C1C[C@H](CO1)[*:1] CSc1ccc(cc1)[C@H](C)[NH2+][C@H](C[*:1])c1ccccc1
CSc1ccc([C@H](C)[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)[C@H](C)[NH2+][C@H](C[C@@H]1CCOC1)[*:1]
CSc1ccc([C@H](C)[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 CSc1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)[*:1]
Cc1cnc([C@@H](C)NC(=O)NCc2ccc(CS(C)(=O)=O)cc2)s1 CS(=O)(=O)C[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NCc1ccc(cc1)[*:1]
Cc1cnc([C@@H](C)NC(=O)NCc2ccc(CS(C)(=O)=O)cc2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)CS(C)(=O)=O)[*:1]
Cc1cnc([C@@H](C)NC(=O)NCc2ccc(CS(C)(=O)=O)cc2)s1 CS(=O)(=O)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NCc1ccc(cc1)C[*:1]
COc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4)c3C)n2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)c1cnn(c1C)[*:1]
COc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4)c3C)n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)Nc1nc(cs1)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2NC(=S)NN NNC(=S)N[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2[*:1]
O=C(CCOc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2F)C1 c1ccc(cc1)OCC[*:1] O=C(c1ccccc1F)N1CCC[C@H]2CN(CC[C@H]21)C(=O)[*:1]
O=C(CCOc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2F)C1 c1ccc(cc1)O[*:1] O=C(CC[*:1])N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2F)C1
O=C(CCOc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2F)C1 c1ccc(cc1)OC[*:1] O=C(C[*:1])N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2F)C1
O=C(CCOc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2F)C1 c1ccc(cc1)[*:1] O=C(CCO[*:1])N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2F)C1
O=C(CCOc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(CCOc1ccccc1)N1CC[C@@H]2[C@@H](CCCN2C(=O)[*:1])C1
O=CN1CCN(/C(=N/C(=O)c2ccccc2)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] O=CN1CCN(CC1)/C(=N/C(=O)[*:1])Nc1ccccc1
O=CN1CCN(/C(=N/C(=O)c2ccccc2)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] O=CN1CCN(CC1)/C(=N/C(=O)c1ccccc1)N[*:1]
COC(=O)[C@@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)Oc1ccc(cc1)C(C)(C)[*:1]
COC(=O)[C@@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 COC(=O)[C@@H](C)O[*:1] CC(C)(c1ccccc1)c1ccc(cc1)[*:1]
COC(=O)[C@@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 COC(=O)[C@@H](C)[*:1] CC(C)(c1ccccc1)c1ccc(cc1)O[*:1]
COC(=O)[C@@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 COC(=O)[*:1] C[C@@H](Oc1ccc(cc1)C(C)(C)c1ccccc1)[*:1]
COc1ccc([C@@H]2CCN(C(=O)NC3CC3)C2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H]1CCN(C1)C(=O)N[*:1]
Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)c1cccc2ncccc12 O=C(N[*:1])C1CC1 Cc1cc(sc1C(=O)N(C)c1cccc2ncccc12)[*:1]
Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)c1cccc2ncccc12 C1CC1[*:1] Cc1cc(NC(=O)[*:1])sc1C(=O)N(C)c1cccc2ncccc12
C1=C[C@H](c2ccc(CN(Cc3ccccc3)C[C@@H]3N=CCS3)o2)N=N1 c1ccc(cc1)C[*:1] C1=C[C@@H](N=N1)c1ccc(CN(C[C@@H]2N=CCS2)[*:1])o1
C1=C[C@H](c2ccc(CN(Cc3ccccc3)C[C@@H]3N=CCS3)o2)N=N1 c1ccc(cc1)[*:1] C1=C[C@@H](N=N1)c1ccc(CN(C[C@@H]2N=CCS2)C[*:1])o1
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc2onc(C)c2c1 c1ccc(cc1)[*:1] CC[C@@H]([C@H]1CCCN1C(=O)c1cnc2onc(C)c2c1)[*:1]
C[C@@H](O)c1cccc(OCc2ncc(-c3ccccc3)o2)c1 c1ccc(cc1)[*:1] C[C@@H](O)c1cccc(c1)OCc1ncc(o1)[*:1]
C[C@@H](O)c1cccc(OCc2ncc(-c3ccccc3)o2)c1 C[C@@H](O)[*:1] c1ccc(cc1)-c1cnc(COc2cccc(c2)[*:1])o1
C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1C(=O)c2ccccc2S1(=O)=O NC(=O)[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])N1C(=O)c2ccccc2S1(=O)=O
CC(C)n1cncc1CCl CC(C)[*:1] ClCc1cncn1[*:1]
O=C(CCC1CC1)N1CCN(c2[nH+]ncc3ccccc23)CC1 C1CC1CC[*:1] O=C(N1CCN(CC1)c1[nH+]ncc2ccccc12)[*:1]
O=C(CCC1CC1)N1CCN(c2[nH+]ncc3ccccc23)CC1 C1CC1C[*:1] O=C(C[*:1])N1CCN(CC1)c1[nH+]ncc2ccccc12
O=C(CCC1CC1)N1CCN(c2[nH+]ncc3ccccc23)CC1 C1CC1[*:1] O=C(CC[*:1])N1CCN(CC1)c1[nH+]ncc2ccccc12
CC(C)CCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)CCOc1ccc(cc1)NC(=O)c1ccccc1[*:1]
CC(C)CCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 CC(C)CC[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccccc1[N+](=O)[O-]
CC(C)CCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1ccccc1[N+](=O)[O-]
CC(C)CCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 CC(C)CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1[N+](=O)[O-]
CC(C)CCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)OCC[*:1])c1ccccc1[N+](=O)[O-]
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1cccc(OC(F)F)c1)C1CC1 CC(C)[C@H](C)[*:1] C[C@@H](NC(=O)N(C1CC1)[*:1])c1cccc(c1)OC(F)F
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1cccc(OC(F)F)c1)C1CC1 FC(F)[*:1] CC(C)[C@H](C)N(C(=O)N[C@H](C)c1cccc(c1)O[*:1])C1CC1
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1cccc(OC(F)F)c1)C1CC1 C1CC1[*:1] CC(C)[C@H](C)N(C(=O)N[C@H](C)c1cccc(c1)OC(F)F)[*:1]
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1cccc(OC(F)F)c1)C1CC1 CC(C)[*:1] C[C@H](N(C(=O)N[C@H](C)c1cccc(c1)OC(F)F)C1CC1)[*:1]
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1cccc(OC(F)F)c1)C1CC1 FC(F)O[*:1] CC(C)[C@H](C)N(C(=O)N[C@H](C)c1cccc(c1)[*:1])C1CC1
Cc1cc(F)ccc1CCNC(=O)C[NH2+]C1CC1 C1CC1[*:1] Cc1cc(F)ccc1CCNC(=O)C[NH2+][*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)c1cccc(-c2csc(C)n2)c1 Cc1nc(cs1)[*:1] CCS(=O)(=O)C[C@H](C)NC(=O)c1cccc(c1)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)c1cccc(-c2csc(C)n2)c1 CCS(=O)(=O)[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)N[C@@H](C)C[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)c1cccc(-c2csc(C)n2)c1 CCS(=O)(=O)C[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)N[C@@H](C)[*:1]
CC1(C)CC(=O)C2=C(C1)Oc1nc(N)c(C#N)c(N)c1[C@H]2c1cccc(Br)c1 Brc1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)Oc1nc(N)c(C#N)c(N)c1[C@@H]2[*:1]
Cn1cc(Br)cc1C(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] Cn1cc(Br)cc1C(=O)N1CCC(CC1)[*:1]
O=C(CCc1ccsc1)OCC(=O)c1ccc[nH]1 c1cc(cs1)[*:1] O=C(CC[*:1])OCC(=O)c1ccc[nH]1
O=C(CCc1ccsc1)OCC(=O)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(CCc1ccsc1)OCC(=O)[*:1]
O=C(CCc1ccsc1)OCC(=O)c1ccc[nH]1 c1cc(cs1)C[*:1] O=C(C[*:1])OCC(=O)c1ccc[nH]1
COc1ccccc1C(=O)NCCC(=O)NCc1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1C(=O)NCCC(=O)NC[*:1]
COc1ccccc1C(=O)NCCC(=O)NCc1ccccn1 c1ccc(C[*:1])nc1 COc1ccccc1C(=O)NCCC(=O)N[*:1]
CN(C)C(=O)C1CCN(C(=O)N[C@@H](c2cc(F)ccc2F)C2CC2)CC1 CN(C)C(=O)[*:1] O=C(N[C@@H](c1cc(F)ccc1F)C1CC1)N1CCC(CC1)[*:1]
CN(C)C(=O)C1CCN(C(=O)N[C@@H](c2cc(F)ccc2F)C2CC2)CC1 C1CC1[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)N[C@@H](c1cc(F)ccc1F)[*:1]
CN(C)C(=O)C1CCN(C(=O)N[C@@H](c2cc(F)ccc2F)C2CC2)CC1 Fc1ccc(F)c(c1)[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)N[C@@H](C1CC1)[*:1]
CCn1/c(=N/S(=O)(=O)c2ccc(OC)cc2)sc2cc3c(cc21)OCO3 COc1ccc(cc1)[*:1] CCn1/c(=N/S(=O)(=O)[*:1])sc2cc3OCOc3cc21
CC1(CNC(=O)NCC(C)(C)c2ccncc2)COC1 CC1(COC1)C[*:1] CC(C)(CNC(=O)N[*:1])c1ccncc1
CC1(CNC(=O)NCC(C)(C)c2ccncc2)COC1 c1cc(ccn1)[*:1] CC1(CNC(=O)NCC(C)(C)[*:1])COC1
CC1(CNC(=O)NCC(C)(C)c2ccncc2)COC1 CC1(COC1)[*:1] CC(C)(CNC(=O)NC[*:1])c1ccncc1
CCOc1ccc(-c2cc(NC(=S)Nc3ccc(Cl)cc3)n[nH]2)cc1 CCO[*:1] S=C(Nc1ccc(Cl)cc1)Nc1cc([nH]n1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2cc(NC(=S)Nc3ccc(Cl)cc3)n[nH]2)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1cc(n[nH]1)NC(=S)N[*:1]
COc1cc(C)ccc1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C COc1cc(C)ccc1[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[*:1]
COc1cc(C)ccc1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] COc1cc(C)ccc1NC(=O)Cc1c(C)nn(c1C)[*:1]
CC(C)(C)C(=O)CC(c1ccccc1)c1ccccc1 CC(C)(C)[*:1] O=C(CC(c1ccccc1)c1ccccc1)[*:1]
CC(C)(C)C(=O)CC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)CC(c1ccccc1)[*:1]
CC(C)(C)C(=O)CC(c1ccccc1)c1ccccc1 CC(C)(C)C(=O)[*:1] c1ccc(cc1)C(C[*:1])c1ccccc1
COCCCN(C)S(=O)(=O)/C=C/c1cccc(Br)c1 COCC[*:1] CN(C[*:1])S(=O)(=O)/C=C/c1cccc(Br)c1
COCCCN(C)S(=O)(=O)/C=C/c1cccc(Br)c1 COC[*:1] CN(CC[*:1])S(=O)(=O)/C=C/c1cccc(Br)c1
COCCCN(C)S(=O)(=O)/C=C/c1cccc(Br)c1 COCCC[*:1] CN(S(=O)(=O)/C=C/c1cccc(Br)c1)[*:1]
COc1cc(Br)c(NC(=O)/C=C/c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1cc(Br)c(cc1OC)NC(=O)C=C[*:1]
C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@@H](C)O1 Fc1cccc(Cl)c1[*:1] C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2C[*:1])C[C@@H](C)O1
C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@@H](C)O1 Fc1cccc(Cl)c1C[*:1] C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2[*:1])C[C@@H](C)O1
CCN(CCC#N)C(=O)c1cc2ccc(OC)cc2[nH]1 N#CC[*:1] CCN(C[*:1])C(=O)c1cc2ccc(cc2[nH]1)OC
CCN(CCC#N)C(=O)c1cc2ccc(OC)cc2[nH]1 N#CCC[*:1] CCN(C(=O)c1cc2ccc(cc2[nH]1)OC)[*:1]
O=C1N[C@H](c2ccc(CSC(F)F)o2)Nc2ccc(Cl)cc21 FC(F)S[*:1] O=C1N[C@@H](Nc2ccc(Cl)cc21)c1ccc(C[*:1])o1
O=C1N[C@H](c2ccc(CSC(F)F)o2)Nc2ccc(Cl)cc21 FC(F)SC[*:1] O=C1N[C@@H](Nc2ccc(Cl)cc21)c1ccc(o1)[*:1]
O=C1N[C@H](c2ccc(CSC(F)F)o2)Nc2ccc(Cl)cc21 FC(F)[*:1] O=C1N[C@@H](Nc2ccc(Cl)cc21)c1ccc(CS[*:1])o1
O=C(Nc1ccccc1N1CCCC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 C1CCN(C1)[*:1] O=C(Nc1ccccc1[*:1])N[C@H]1CCC[C@@H](C1)C(F)(F)F
O=C(Nc1ccccc1N1CCCC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1N1CCCC1)N[C@H]1CCC[C@H](C1)[*:1]
O=C(CSc1cccc2cccc(Cl)c12)NC1CC1 C1CC1[*:1] O=C(CSc1cccc2cccc(Cl)c12)N[*:1]
O=C(CSc1cccc2cccc(Cl)c12)NC1CC1 O=C(NC1CC1)[*:1] Clc1cccc2cccc(SC[*:1])c12
CC(=O)C[C@H](C)NC(=O)[C@@H](c1c(F)cccc1F)N(C)C CC(=O)C[*:1] C[C@H](NC(=O)[C@@H](c1c(F)cccc1F)N(C)C)[*:1]
CC(=O)C[C@H](C)NC(=O)[C@@H](c1c(F)cccc1F)N(C)C CN(C)[*:1] CC(=O)C[C@H](C)NC(=O)[C@@H](c1c(F)cccc1F)[*:1]
CC(=O)C[C@H](C)NC(=O)[C@@H](c1c(F)cccc1F)N(C)C CC(=O)C[C@H](C)[*:1] CN(C)[C@@H](C(=O)N[*:1])c1c(F)cccc1F
CC(=O)C[C@H](C)NC(=O)[C@@H](c1c(F)cccc1F)N(C)C CC(=O)[*:1] C[C@@H](C[*:1])NC(=O)[C@@H](c1c(F)cccc1F)N(C)C
Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])[NH+](C)C)cc1Cl O=C([O-])[*:1] Cc1ccc(cc1Cl)NC(=O)C[C@@H]([NH+](C)C)[*:1]
CC[C@@H]1CCC[C@@H]([C@H]([NH2+]C)C(C)(C)N2CCOCC2)C1 C1CN(CCO1)[*:1] CC[C@@H]1CCC[C@H](C1)[C@H]([NH2+]C)C(C)(C)[*:1]
COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2nnc3ccccn23)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)C(C#N)=C[*:1])c1nnc2ccccn12
C[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)C1CCC(=O)N(N=1)[C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 C[C@@H](C1CC1)[*:1] O=C(N[*:1])C1CCC(=O)N(N=1)[C@@H]1CCS(=O)(=O)C1
C[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 O=S1(=O)CC[C@H](C1)[*:1] C[C@@H](NC(=O)C1CCC(=O)N(N=1)[*:1])C1CC1
CNS(=O)(=O)c1ccc(C)c(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)N1C[C@H](C)C[C@@H](C)C1)[*:1]
O=C(c1cn(CCC2CCCCC2)nn1)N1CCCN(c2ncccn2)CC1 C1CCC(CC1)CC[*:1] O=C(c1cn(nn1)[*:1])N1CCCN(CC1)c1ncccn1
O=C(c1cn(CCC2CCCCC2)nn1)N1CCCN(c2ncccn2)CC1 C1CCC(CC1)[*:1] O=C(c1cn(CC[*:1])nn1)N1CCCN(CC1)c1ncccn1
O=C(c1cn(CCC2CCCCC2)nn1)N1CCCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1cn(CCC2CCCCC2)nn1)N1CCCN(CC1)[*:1]
O=C(c1cn(CCC2CCCCC2)nn1)N1CCCN(c2ncccn2)CC1 C1CCC(CC1)C[*:1] O=C(c1cn(C[*:1])nn1)N1CCCN(CC1)c1ncccn1
CCOc1ccc(NC(=O)c2nn(-c3cc(OC)cc(OC)c3)c(=O)c3ccccc23)cc1 CCO[*:1] COc1cc(cc(c1)-n1nc(C(=O)Nc2ccc(cc2)[*:1])c2ccccc2c1=O)OC
CCOc1ccc(NC(=O)c2nn(-c3cc(OC)cc(OC)c3)c(=O)c3ccccc23)cc1 COc1cc(cc(c1)[*:1])OC CCOc1ccc(cc1)NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
CCOc1ccc(NC(=O)c2nn(-c3cc(OC)cc(OC)c3)c(=O)c3ccccc23)cc1 CCOc1ccc(cc1)[*:1] COc1cc(cc(c1)-n1nc(C(=O)N[*:1])c2ccccc2c1=O)OC
O=C(Cn1cnc(C2CCC2)cc1=O)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(Cn1cnc(cc1=O)C1CCC1)NC(C1CC1)[*:1]
O=C(Cn1cnc(C2CCC2)cc1=O)NC(C1CC1)C1CC1 C1CC(C1)[*:1] O=C(Cn1cnc(cc1=O)[*:1])NC(C1CC1)C1CC1
O=C(Cn1cnc(C2CCC2)cc1=O)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] O=C(Cn1cnc(cc1=O)C1CCC1)N[*:1]
C[S@@](=O)Cc1cccc(C(=O)NCC(=O)Nc2nccs2)c1 c1csc(n1)[*:1] C[S@@](=O)Cc1cccc(c1)C(=O)NCC(=O)N[*:1]
O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1C[*:1] O=C(NC[C@H]1CCN(C1)c1ccccc1)c1ccc(o1)[*:1]
O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1[*:1] O=C(NC[C@H]1CCN(C1)c1ccccc1)c1ccc(C[*:1])o1
O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(Cn2ccccc2=O)o1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCN(C1)[*:1])c1ccc(Cn2ccccc2=O)o1
CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)cc2cccnc12 CC[C@@H](C)[*:1] O=C(CC[NH2+]Cc1cc(Cl)cc2cccnc12)N[*:1]
CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)cc2cccnc12 CC[C@@H](C)NC(=O)[*:1] Clc1cc(C[NH2+]CC[*:1])c2ncccc2c1
Cc1cc(CNC(=O)N2CCC[C@@H]2CC2CCCCC2)no1 Cc1cc(C[*:1])no1 O=C(N[*:1])N1CCC[C@@H]1CC1CCCCC1
Cc1cc(CNC(=O)N2CCC[C@@H]2CC2CCCCC2)no1 C1CCC(CC1)[*:1] Cc1cc(CNC(=O)N2CCC[C@@H]2C[*:1])no1
Cc1cc(CNC(=O)N2CCC[C@@H]2CC2CCCCC2)no1 Cc1cc(no1)[*:1] O=C(NC[*:1])N1CCC[C@@H]1CC1CCCCC1
Cc1cc(CNC(=O)N2CCC[C@@H]2CC2CCCCC2)no1 C1CCC(CC1)C[*:1] Cc1cc(CNC(=O)N2CCC[C@H]2[*:1])no1
O=C(NCCCN1CCOCC1)c1ccc(N2CCCC2=O)cc1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])c1ccc(cc1)N1CCCC1=O
O=C(NCCCN1CCOCC1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(NCCCN1CCOCC1)c1ccc(cc1)[*:1]
O=C(NCCCN1CCOCC1)c1ccc(N2CCCC2=O)cc1 C1CN(CCO1)CC[*:1] O=C(NC[*:1])c1ccc(cc1)N1CCCC1=O
O=C(NCCCN1CCOCC1)c1ccc(N2CCCC2=O)cc1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])c1ccc(cc1)N1CCCC1=O
COCCn1nc(C)c(NC(=O)N[C@@H]2CCC[C@@H](SC)C2)c1C COC[*:1] CS[C@@H]1CCC[C@H](C1)NC(=O)Nc1c(C)nn(C[*:1])c1C
COCCn1nc(C)c(NC(=O)N[C@@H]2CCC[C@@H](SC)C2)c1C COCC[*:1] CS[C@@H]1CCC[C@H](C1)NC(=O)Nc1c(C)nn(c1C)[*:1]
COc1cc(OC)c(NC(=O)[C@H](C)Oc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc1Cl FC(F)(F)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)[C@H](C)Oc1cc(c2c(C)nn(C)c2n1)[*:1]
Cc1ccc(-n2nnc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)Nc1sc2CCCCc2c1C#N
Cc1nc(C)c(CC(=O)N2CCC[C@@H]2C2CCCCC2)c(=O)[nH]1 C1CCC(CC1)[*:1] Cc1nc(C)c(CC(=O)N2CCC[C@H]2[*:1])c(=O)[nH]1
O=C(NCc1ccccc1)[C@@H]1CC12CCN(C(=O)C1=CCCC1)CC2 c1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CC12CCN(CC2)C(=O)C1=CCCC1
O=C(NCc1ccccc1)[C@@H]1CC12CCN(C(=O)C1=CCCC1)CC2 c1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CC12CCN(CC2)C(=O)C1=CCCC1
C[C@H]1Cc2ccccc2N(C(=O)c2ccccc2N2CCCC2=O)C1 O=C1CCCN1[*:1] C[C@H]1Cc2ccccc2N(C1)C(=O)c1ccccc1[*:1]
COCCN1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)C4CCCCC4)CC3)n2)CC1 COCC[*:1] O=C(C1CCCCC1)N1CCN(CC1)c1nc(cc(=O)[nH]1)C[NH+]1CCN(CC1)[*:1]
COCCN1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)C4CCCCC4)CC3)n2)CC1 COC[*:1] O=C(C1CCCCC1)N1CCN(CC1)c1nc(cc(=O)[nH]1)C[NH+]1CCN(CC1)C[*:1]
COCCN1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)C4CCCCC4)CC3)n2)CC1 C1CCC(CC1)[*:1] COCCN1CC[NH+](CC1)Cc1cc(=O)[nH]c(n1)N1CCN(CC1)C(=O)[*:1]
C=C(C)CN(CC)C(=O)NCc1cccc(C(=O)NCC)c1 CCNC(=O)[*:1] C=C(C)CN(CC)C(=O)NCc1cccc(c1)[*:1]
C=C(C)CN(CC)C(=O)NCc1cccc(C(=O)NCC)c1 C=C(C)C[*:1] CCNC(=O)c1cccc(c1)CNC(=O)N(CC)[*:1]
C=C(C)CN(CC)C(=O)NCc1cccc(C(=O)NCC)c1 C=C(C)[*:1] CCNC(=O)c1cccc(c1)CNC(=O)N(CC)C[*:1]
COC[C@H](C)n1c(C)cc(C(=O)CSc2ncnc3sc(C)c(C)c23)c1C COC[*:1] Cc1sc2ncnc(SCC(=O)c3cc(C)n(c3C)[C@@H](C)[*:1])c2c1C
CCCc1nn(CC(=O)NN)c(=O)n1N NNC(=O)C[*:1] CCCc1nn(c(=O)n1N)[*:1]
CCCc1nn(CC(=O)NN)c(=O)n1N NNC(=O)[*:1] CCCc1nn(C[*:1])c(=O)n1N
CCCc1nn(CC(=O)NN)c(=O)n1N CCC[*:1] NNC(=O)Cn1nc(n(N)c1=O)[*:1]
CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C CCSC[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OC[*:1])c1ccccc1C
CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C Cc1ccccc1[*:1] CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1[*:1]
CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C CCSCC[*:1] CC1NC(=O)N[C@@H](C=1C(=O)O[*:1])c1ccccc1C
CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C CCS[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OCC[*:1])c1ccccc1C
N#Cc1cccc(NC(=O)CCNC(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)CCNC(=O)N[*:1]
C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(F)cc1 O=C(Nc1ccccc1)[*:1] C=CCN1C(=O)[C@H](C[*:1])S/C1=N\c1ccc(F)cc1
C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(F)cc1 c1ccc(cc1)[*:1] C=CCN1C(=O)[C@H](CC(=O)N[*:1])S/C1=N\c1ccc(F)cc1
C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(F)cc1 C=CC[*:1] O=C(C[C@@H]1S/C(=N\c2ccc(F)cc2)N(C1=O)[*:1])Nc1ccccc1
C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=N[*:1]
C[C@H](N[C@@H](Cc1ccccc1)C1CC1)c1ccco1 c1coc(c1)[*:1] C[C@H](N[C@@H](Cc1ccccc1)C1CC1)[*:1]
C[C@H](N[C@@H](Cc1ccccc1)C1CC1)c1ccco1 C1CC1[*:1] C[C@H](N[C@@H](Cc1ccccc1)[*:1])c1ccco1
C[C@H](N[C@@H](Cc1ccccc1)C1CC1)c1ccco1 c1ccc(cc1)[*:1] C[C@H](N[C@@H](C[*:1])C1CC1)c1ccco1
O=C(Nc1nc(-c2ccc(F)cc2F)cs1)[C@@H]1COc2ccccc2O1 Fc1ccc(c(F)c1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1COc2ccccc2O1
O=C(NNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1cccc(c1)NC(=O)c1ccco1
O=C(NNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1 c1coc(c1)[*:1] O=C(NNC(=O)c1cccc(c1)NC(=O)[*:1])c1ccccc1
O=C(NNC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1 O=C(N[*:1])c1ccco1 O=C(NNC(=O)c1cccc(c1)[*:1])c1ccccc1
CCOc1cccc2cc([C@H](C)Nc3c(C)c(C)nc4ncnn34)oc12 CCO[*:1] Cc1nc2ncnn2c(N[C@@H](C)c2cc3cccc(c3o2)[*:1])c1C
CCC[C@H]1CN(C(=O)Nc2ccc(CC)c(F)c2)CCO1 CCC[*:1] CCc1ccc(cc1F)NC(=O)N1CCO[C@H](C1)[*:1]
C[C@@H](C(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4F)c3n2)CC1)c1ccccc1 Fc1ccccc1[*:1] C[C@@H](C(=O)N1CCC(CC1)c1nc(O)c2nnn(C[*:1])c2n1)c1ccccc1
C[C@@H](C(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4F)c3n2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCC(CC1)c1nc(O)c2nnn(Cc3ccccc3F)c2n1)[*:1]
C[C@@H](C(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4F)c3n2)CC1)c1ccccc1 Fc1ccccc1C[*:1] C[C@@H](C(=O)N1CCC(CC1)c1nc(O)c2nnn(c2n1)[*:1])c1ccccc1
C=CCNc1ccccc1C(=O)N(C)Cc1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] C=CCNc1ccccc1C(=O)N(C)Cc1nc(no1)[*:1]
C=CCNc1ccccc1C(=O)N(C)Cc1nc(-c2ccncc2)no1 C=CCN[*:1] CN(Cc1nc(no1)-c1ccncc1)C(=O)c1ccccc1[*:1]
C=CCNc1ccccc1C(=O)N(C)Cc1nc(-c2ccncc2)no1 C=CC[*:1] CN(Cc1nc(no1)-c1ccncc1)C(=O)c1ccccc1N[*:1]
COc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)NC(=O)c1cc(nc2ccccc12)[*:1]
COc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccccn1
Cc1noc(C2CCN(C(=O)COc3ccc(C4SCCCS4)cc3)CC2)n1 Cc1noc(n1)[*:1] O=C(COc1ccc(cc1)C1SCCCS1)N1CCC(CC1)[*:1]
Cc1noc(C2CCN(C(=O)COc3ccc(C4SCCCS4)cc3)CC2)n1 C1CSC(SC1)[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)COc1ccc(cc1)[*:1]
COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)sc2C)cc(OC)c1OC O=S(=O)(N1CCCC1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1cc(sc1C)[*:1]
O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(Cl)cc1 O=C(N1CCOCC1)[*:1] O=C(CN1C[C@H](Oc2ccccc21)[*:1])Nc1ccc(Cl)cc1
O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1C[C@@H](Oc2ccccc21)C(=O)N1CCOCC1)N[*:1]
Cc1cc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)c(C)o1 C1CO[C@@H](C1)[*:1] Cc1cc(-c2csc(n2)NC(=O)[*:1])c(C)o1
CC(C)(COCC1CCCCC1)C(=O)NN NNC(=O)[*:1] CC(C)(COCC1CCCCC1)[*:1]
CC(C)(CO)C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(CO)C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2[*:1]
CC(C)(CO)C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 CC(C)(CO)[*:1] CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](C1)[NH2+]C[*:1]
Cc1ccccc1-n1cnnc1SCC(=O)N1c2ccccc2C[C@@H]1C Cc1ccccc1[*:1] C[C@H]1Cc2ccccc2N1C(=O)CSc1nncn1[*:1]
CC1(CNC(=O)CNC(=O)c2ccc(F)c(F)c2)CCCC1 CC1(CCCC1)C[*:1] O=C(CNC(=O)c1ccc(F)c(F)c1)N[*:1]
CC1(CNC(=O)CNC(=O)c2ccc(F)c(F)c2)CCCC1 CC1(CCCC1)[*:1] O=C(CNC(=O)c1ccc(F)c(F)c1)NC[*:1]
Cc1cc2nc(S/C(=C\c3ccc(O)cc3)C(=O)[O-])[nH]c2cc1C Oc1ccc(cc1)[*:1] Cc1cc2nc([nH]c2cc1C)SC(=C[*:1])C(=O)[O-]
Cc1cc2nc(S/C(=C\c3ccc(O)cc3)C(=O)[O-])[nH]c2cc1C O=C([O-])[*:1] Cc1cc2nc([nH]c2cc1C)S/C(=C\c1ccc(O)cc1)[*:1]
CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OC)cc3)cc2s1 CCC(=O)N[*:1] COc1ccc(cc1)C(=O)Nc1ccc2nc(sc2c1)[*:1]
CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OC)cc3)cc2s1 COc1ccc(cc1)[*:1] CCC(=O)Nc1nc2ccc(cc2s1)NC(=O)[*:1]
CC[C@@H](c1cccs1)N1C[C@@H]([NH3+])C[C@@H](C)C1 c1csc(c1)[*:1] CC[C@@H](N1C[C@@H]([NH3+])C[C@@H](C)C1)[*:1]
CCc1[nH]c(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)c1C(=O)OC c1ncn(n1)[*:1] CCc1[nH]c(C(=O)N[C@@H](C)c2ccc(cc2)[*:1])c(C)c1C(=O)OC
CCc1[nH]c(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(C)c1C(=O)OC COC(=O)[*:1] CCc1[nH]c(C(=O)N[C@@H](C)c2ccc(cc2)-n2cncn2)c(C)c1[*:1]
O=[N+]([O-])c1ccc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)CN1CCCN(CC1)S(=O)(=O)[*:1]
O=[N+]([O-])c1ccc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(F)cc1)N1CCCN(CC1)Cc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCCN(CC1)C[*:1]
CN(C(=O)c1ccc(C(=O)N2CCCC[C@H]2CCO)cc1)c1ccccc1 OCC[*:1] CN(C(=O)c1ccc(cc1)C(=O)N1CCCC[C@@H]1[*:1])c1ccccc1
CN(C(=O)c1ccc(C(=O)N2CCCC[C@H]2CCO)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)C(=O)N1CCCC[C@H]1CCO)[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccncc1)[C@@H]2Br c1cc(ccn1)[*:1] CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)[*:1])[C@@H]2Br
CCOc1ccc(N2C(=O)S/C(=C/C(C)=C\c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)S/C(=C/C(/C)=C[*:1])C1=O
CCOc1ccc(N2C(=O)S/C(=C/C(C)=C\c3ccccc3)C2=O)cc1 CCO[*:1] CC(=C/c1ccccc1)/C=C1/SC(=O)N(C1=O)c1ccc(cc1)[*:1]
CCC1(CNC(=O)NCCc2ccc(O)c(OC)c2)CCC1 CCC1(CCC1)C[*:1] COc1cc(ccc1O)CCNC(=O)N[*:1]
CCC1(CNC(=O)NCCc2ccc(O)c(OC)c2)CCC1 CCC1(CCC1)[*:1] COc1cc(ccc1O)CCNC(=O)NC[*:1]
CCOC(=O)CN/C=C/C(=O)C(F)(F)F CCOC(=O)[*:1] O=C(/C=C/NC[*:1])C(F)(F)F
CCOC(=O)CN/C=C/C(=O)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)CN/C=C/C(=O)[*:1]
COCCN1C(=O)c2ccc(C(=O)NCc3cccnc3)cc2C1=O COCC[*:1] O=C(NCc1cccnc1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COCCN1C(=O)c2ccc(C(=O)NCc3cccnc3)cc2C1=O c1cncc(c1)C[*:1] COCCN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COCCN1C(=O)c2ccc(C(=O)NCc3cccnc3)cc2C1=O COC[*:1] O=C(NCc1cccnc1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
COCCN1C(=O)c2ccc(C(=O)NCc3cccnc3)cc2C1=O c1cncc(c1)[*:1] COCCN1C(=O)c2ccc(cc2C1=O)C(=O)NC[*:1]
CC(C)(C)c1cc2nc(-c3ccccc3F)cc(C(=O)N[C@H]3CCCCNC3=O)n2n1 Fc1ccccc1[*:1] CC(C)(C)c1cc2nc(cc(C(=O)N[C@H]3CCCCNC3=O)n2n1)[*:1]
CC(C)(C)c1cc2nc(-c3ccccc3F)cc(C(=O)N[C@H]3CCCCNC3=O)n2n1 CC(C)(C)[*:1] O=C(N[C@H]1CCCCNC1=O)c1cc(nc2cc(nn12)[*:1])-c1ccccc1F
CC(C)C[C@H](Nc1cc(-n2ccnc2)ncn1)C(=O)Nc1nccs1 CC(C)C[*:1] O=C(Nc1nccs1)[C@@H](Nc1cc(ncn1)-n1ccnc1)[*:1]
CC(C)C[C@H](Nc1cc(-n2ccnc2)ncn1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)C[C@H](Nc1cc(ncn1)-n1ccnc1)C(=O)N[*:1]
CC(C)C[C@H](Nc1cc(-n2ccnc2)ncn1)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] CC(C)C[C@H](Nc1cc(ncn1)-n1ccnc1)[*:1]
CC(C)C[C@H](Nc1cc(-n2ccnc2)ncn1)C(=O)Nc1nccs1 CC(C)[*:1] O=C(Nc1nccs1)[C@H](C[*:1])Nc1cc(ncn1)-n1ccnc1
CC(C)C[C@H](Nc1cc(-n2ccnc2)ncn1)C(=O)Nc1nccs1 c1cn(cn1)[*:1] CC(C)C[C@H](Nc1cc(ncn1)[*:1])C(=O)Nc1nccs1
COc1ccccc1S(=O)(=O)Nc1ccc(N(C)C)[nH+]c1 CN(C)[*:1] COc1ccccc1S(=O)(=O)Nc1ccc([nH+]c1)[*:1]
C[C@H](NC(=O)c1n[nH]c2ccccc12)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](NC(=O)c1n[nH]c2ccccc12)[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC Clc1cccc(c1)[*:1] CCN(C[*:1])C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC
CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC Clc1cccc(c1)C[*:1] CCN(C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc(C)nc1)c1ccccc1 COC(=O)[*:1] Cc1ccc(cn1)C(=O)N[C@@H](c1ccccc1)[C@H](C)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc(C)nc1)c1ccccc1 Cc1ccc(cn1)[*:1] COC(=O)[C@@H](C)[C@@H](NC(=O)[*:1])c1ccccc1
COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc(C)nc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc(C)nc1)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc(C)nc1)c1ccccc1 COC(=O)[C@@H](C)[*:1] Cc1ccc(cn1)C(=O)N[C@@H](c1ccccc1)[*:1]
CC1CCC2(CC1)CC(=O)N(CN1CCC(O)(C(F)(F)F)CC1)C2=O FC(F)(F)[*:1] CC1CCC2(CC1)CC(=O)N(CN1CCC(O)(CC1)[*:1])C2=O
Cc1ccccc1OCC(=O)NNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O Cc1ccccc1O[*:1] C[C@H](C(=O)NNC(=O)C[*:1])N1C(=O)c2ccccc2C1=O
Cc1ccccc1OCC(=O)NNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O Cc1ccccc1[*:1] C[C@H](C(=O)NNC(=O)CO[*:1])N1C(=O)c2ccccc2C1=O
Cc1ccccc1OCC(=O)NNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O Cc1ccccc1OC[*:1] C[C@H](C(=O)NNC(=O)[*:1])N1C(=O)c2ccccc2C1=O
Clc1ccccc1CSc1ccc(-c2cccnc2)nn1 c1cncc(c1)[*:1] Clc1ccccc1CSc1ccc(nn1)[*:1]
Clc1ccccc1CSc1ccc(-c2cccnc2)nn1 Clc1ccccc1[*:1] c1cncc(c1)-c1ccc(nn1)SC[*:1]
COCC(C)(C)c1cc(NC(=O)N(C)C)no1 COC[*:1] CN(C)C(=O)Nc1cc(on1)C(C)(C)[*:1]
CC(C)CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 c1cc2OCCCOc2cc1[*:1] CC(C)CCOc1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)OCC[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1
CC(C)CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 CC(C)CC[*:1] O=C(c1ccc(cc1)O[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1
CC(C)CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 CC(C)CCO[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1
CC(C)CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 CC(C)C[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1
COc1ccc(F)c(C[C@]2(CCC(=O)N(C)[C@H]3CCOC3)CCC(=O)N2)c1 COc1ccc(F)c(c1)[*:1] CN(C(=O)CC[C@]1(CCC(=O)N1)C[*:1])[C@H]1CCOC1
COc1ccc(F)c(C[C@]2(CCC(=O)N(C)[C@H]3CCOC3)CCC(=O)N2)c1 CN(C(=O)[*:1])[C@H]1CCOC1 COc1ccc(F)c(c1)C[C@@]1(CCC(=O)N1)CC[*:1]
COc1ccc(F)c(C[C@]2(CCC(=O)N(C)[C@H]3CCOC3)CCC(=O)N2)c1 C1C[C@@H](CO1)[*:1] COc1ccc(F)c(c1)C[C@@]1(CCC(=O)N1)CCC(=O)N(C)[*:1]
O=S(=O)(NCc1cccnc1-n1cccn1)N1CCCCC1 c1cnn(c1)[*:1] O=S(=O)(NCc1cccnc1[*:1])N1CCCCC1
O=C(NCc1ccsc1)NC[C@H](O)c1ccsc1 c1cc(cs1)C[*:1] O=C(NC[C@H](O)c1ccsc1)N[*:1]
O=C(NCc1ccsc1)NC[C@H](O)c1ccsc1 c1cc(cs1)[*:1] O=C(NC[C@H](O)c1ccsc1)NC[*:1]
O=C(NCc1ccsc1)NC[C@H](O)c1ccsc1 c1cc(cs1)[*:1] O=C(NCc1ccsc1)NC[C@H](O)[*:1]
Cc1ccc2c(c1)=[NH+][C@H](/C(C#N)=C/c1cccc(F)c1)[NH+]=2 Fc1cccc(c1)[*:1] Cc1ccc2=[NH+][C@H]([NH+]=c2c1)C(C#N)=C[*:1]
O=C1CCCN1C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 O=C1CCCN1C(=O)C[*:1] O=c1c2ccccc2nc(S[*:1])n1C[C@H]1CCCO1
O=C1CCCN1C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 O=C1CCCN1C(=O)[*:1] O=c1c2ccccc2nc(SC[*:1])n1C[C@H]1CCCO1
O=C1CCCN1C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C1CCCN1C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
O=C1C[C@@H]([NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CN1C1CC1 C1CC1[*:1] O=C1C[C@H](CN1[*:1])[NH2+][C@@H]1CCCc2nc(sc21)-c1ccccc1
O=C1C[C@@H]([NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CN1C1CC1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1C1CC1)[NH2+][C@@H]1CCCc2nc(sc21)[*:1]
Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccccc3)nnc1n2Cc1cccc(Cl)c1 c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1n1c(nnc1n2Cc1cccc(Cl)c1)[*:1]
Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccccc3)nnc1n2Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1n1c(nnc1n2[*:1])-c1ccccc1
Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccccc3)nnc1n2Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cn1c(=O)[nH]c(=O)c2c1n1c(nnc1n2C[*:1])-c1ccccc1
C[C@H](C1CC1)N(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)C1CC1 C1CC1[*:1] C[C@H](C1CC1)N(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
C[C@H](C1CC1)N(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] C[C@H](C1CC1)N(C(=O)N[C@H](CC(F)(F)F)[*:1])C1CC1
C[C@H](C1CC1)N(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)C1CC1 FC(F)(F)C[*:1] C[C@H](C1CC1)N(C(=O)N[C@H](c1ccc(F)cc1)[*:1])C1CC1
C[C@H](C1CC1)N(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)C1CC1 C[C@H](C1CC1)[*:1] O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N(C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)C1CC1 FC(F)(F)[*:1] C[C@H](C1CC1)N(C(=O)N[C@H](C[*:1])c1ccc(F)cc1)C1CC1
C[C@H](C1CC1)N(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)C1CC1 C1CC1[*:1] C[C@H](N(C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)C1CC1)[*:1]
CCCSC1=NC(=O)[C@@H]2C(=N1)N=C1CCCC([O-])=C1[C@@H]2c1ccc(Cl)cc1 CCC[*:1] O=C1N=C(N=C2N=C3CCCC([O-])=C3[C@H](c3ccc(Cl)cc3)[C@H]12)S[*:1]
CCCSC1=NC(=O)[C@@H]2C(=N1)N=C1CCCC([O-])=C1[C@@H]2c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCSC1=NC(=O)[C@@H]2C(N=C3CCCC([O-])=C3[C@H]2[*:1])=N1
c1cncc(CN2CCc3[nH]c[nH+]c3[C@H]2c2cccn2-c2nccs2)c1 c1csc(n1)[*:1] c1cncc(c1)CN1CCc2[nH]c[nH+]c2[C@H]1c1cccn1[*:1]
c1cncc(CN2CCc3[nH]c[nH+]c3[C@H]2c2cccn2-c2nccs2)c1 c1cncc(c1)C[*:1] c1cc([C@@H]2c3[nH+]c[nH]c3CCN2[*:1])n(c1)-c1nccs1
c1cncc(CN2CCc3[nH]c[nH+]c3[C@H]2c2cccn2-c2nccs2)c1 c1cncc(c1)[*:1] c1cc([C@@H]2c3[nH+]c[nH]c3CCN2C[*:1])n(c1)-c1nccs1
CCOc1ccc(C(=O)Nc2ccc(F)cc2)c(OCC)c1 Fc1ccc(cc1)[*:1] CCOc1ccc(C(=O)N[*:1])c(c1)OCC
CCOc1ccc(C(=O)Nc2ccc(F)cc2)c(OCC)c1 CCO[*:1] CCOc1cc(ccc1C(=O)Nc1ccc(F)cc1)[*:1]
CCOc1ccc(C(=O)Nc2ccc(F)cc2)c(OCC)c1 CCO[*:1] CCOc1ccc(C(=O)Nc2ccc(F)cc2)c(c1)[*:1]
CC(C)[C@H](C[NH2+]C(C1CC1)C1CC1)[NH+]1CCCC1 CC(C)[*:1] C1CC[NH+](C1)[C@@H](C[NH2+]C(C1CC1)C1CC1)[*:1]
CC(C)[C@H](C[NH2+]C(C1CC1)C1CC1)[NH+]1CCCC1 C1CC1[*:1] CC(C)[C@H](C[NH2+]C(C1CC1)[*:1])[NH+]1CCCC1
Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCC([NH+]2CCCCC2)CC1 Clc1ccc(nc1)[*:1] Cc1nc(N[*:1])sc1C(=O)N1CCC(CC1)[NH+]1CCCCC1
Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCC([NH+]2CCCCC2)CC1 Clc1ccc(nc1)N[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)[NH+]1CCCCC1)[*:1]
COc1cc(OC)c([C@H]([NH3+])c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1cc(OC)c(cc1OC)[C@H]([NH3+])[*:1]
COCCN(C(=O)c1cc(C(C)C)nn1C)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] COCCN(C(=O)c1cc(nn1C)[*:1])[C@H]1CCS(=O)(=O)C1
COCCN(C(=O)c1cc(C(C)C)nn1C)[C@H]1CCS(=O)(=O)C1 COC[*:1] CC(C)c1cc(C(=O)N(C[*:1])[C@H]2CCS(=O)(=O)C2)n(C)n1
COCCN(C(=O)c1cc(C(C)C)nn1C)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] COCCN(C(=O)c1cc(nn1C)C(C)C)[*:1]
COCCN(C(=O)c1cc(C(C)C)nn1C)[C@H]1CCS(=O)(=O)C1 COCC[*:1] CC(C)c1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)[*:1])n(C)n1
CCc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccccc1 c1ccc(cc1)[*:1] CCc1sc(nc1[*:1])NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-]
CCc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccccc1 O=C([O-])[*:1] CCc1sc(nc1-c1ccccc1)NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1[*:1]
CS[C@H](C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 CC(C)[*:1] CS[C@H](C)C(=O)[C@@H](C#N)c1nc(cs1)[*:1]
CS[C@H](C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 CS[C@H](C)[*:1] CC(C)c1csc(n1)[C@H](C#N)C(=O)[*:1]
O=C(Nc1ccc(F)cc1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(Nc1ccc(F)cc1)C(=O)N1CCO[C@H](C1)[*:1]
O=C(Nc1ccc(F)cc1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 Fc1ccc(cc1)[*:1] O=C(N[*:1])C(=O)N1CCO[C@@H](C1)c1cccc(F)c1
CC[C@@H]1CN(C(=O)N[C@@H](c2ccccn2)c2ccccc2OC)CCS1 c1ccc(nc1)[*:1] CC[C@@H]1CN(CCS1)C(=O)N[C@@H](c1ccccc1OC)[*:1]
CC[C@@H]1CN(C(=O)N[C@@H](c2ccccn2)c2ccccc2OC)CCS1 COc1ccccc1[*:1] CC[C@@H]1CN(CCS1)C(=O)N[C@@H](c1ccccn1)[*:1]
C[C@@H]([NH2+]Cc1ccn[nH]1)c1ccc(Cl)s1 c1cc([nH]n1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(Cl)s1
O=C(NCc1nc(-c2cccs2)no1)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] O=C(NCc1nc(no1)-c1cccs1)c1ccc(nc1)[*:1]
O=C(NCc1nc(-c2cccs2)no1)c1ccc(-n2cccc2)nc1 c1csc(c1)[*:1] O=C(NCc1nc(no1)[*:1])c1ccc(nc1)-n1cccc1
CCOc1ccc(C(=O)NCc2nnc3ccccn23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])C(=O)NCc1nnc2ccccn12
CCOc1ccc(C(=O)NCc2nnc3ccccn23)cc1[N+](=O)[O-] CCO[*:1] O=C(NCc1nnc2ccccn12)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(N/N=C/c1c(F)cccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(N/N=C/c1c(F)cccc1Cl)c1cc(cc(c1)[*:1])[N+](=O)[O-]
O=C(N/N=C/c1c(F)cccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 Fc1cccc(Cl)c1[*:1] O=C(NN=C[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
NC(=O)CC1CCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1 C1CC1[*:1] NC(=O)CC1CCN(CC1)c1cc(C(=O)N[*:1])c2ccccc2n1
NC(=O)CC1CCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1 NC(=O)[*:1] O=C(NC1CC1)c1cc(nc2ccccc12)N1CCC(CC1)C[*:1]
NC(=O)CC1CCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1 NC(=O)C[*:1] O=C(NC1CC1)c1cc(nc2ccccc12)N1CCC(CC1)[*:1]
NC(=O)CC1CCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1 O=C(NC1CC1)[*:1] NC(=O)CC1CCN(CC1)c1cc(c2ccccc2n1)[*:1]
CCOC(=O)N1CCN(C[C@@H]2C=NN=C2c2ccc(-c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C[C@@H]1C=NN=C1c1ccc(cc1)[*:1]
CCOC(=O)C1(C)CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] CCOC(=O)C1(C)CCN(CC1)c1ncc(cc1Cl)[*:1]
CCOC(=O)C1(C)CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)[*:1]
Cc1ccc([C@H](C)NC(=O)c2cc(C)c(C#CCN)s2)s1 Cc1ccc(s1)[*:1] Cc1cc(sc1C#CCN)C(=O)N[C@@H](C)[*:1]
Cc1ccc([C@H](C)NC(=O)c2cc(C)c(C#CCN)s2)s1 NCC#C[*:1] Cc1ccc(s1)[C@H](C)NC(=O)c1cc(C)c(s1)[*:1]
C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)CC/C(=C\CO)CO OC/C=C(/CO)[*:1] C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)CC[*:1]
C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)CC/C(=C\CO)CO OC/C=C(/CO)C[*:1] C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)C[*:1]
N#C/C(=C\C1=c2ccccc2=[NH+]C1)C(=O)N[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] N#C/C(=C\C1C[NH+]=c2ccccc2=1)C(=O)N[*:1]
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)CCC(C)C CC(C)C[*:1] Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C[*:1]
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)CCC(C)C Cc1noc(C)c1[*:1] CC(C)CCN(C)C(=O)[C@H](C)NS(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)CCC(C)C CC(C)[*:1] Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)CC[*:1]
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)CCC(C)C CC(C)CC[*:1] Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)[*:1]
COC(=O)c1ccc(CN2CC(c3nc(-c4cccnc4)no3)C2)cc1 c1cncc(c1)[*:1] COC(=O)c1ccc(cc1)CN1CC(C1)c1nc(no1)[*:1]
COC(=O)c1ccc(CN2CC(c3nc(-c4cccnc4)no3)C2)cc1 COC(=O)[*:1] c1cncc(c1)-c1noc(n1)C1CN(Cc2ccc(cc2)[*:1])C1
CCOC(=O)[C@H](C)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 CCOC(=O)[*:1] C[C@H](N1CCN(CC1)CC(=O)N1CCCc2ccccc21)[*:1]
CCOC(=O)[C@H](C)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 CCOC(=O)[C@H](C)[*:1] O=C(CN1CCN(CC1)[*:1])N1CCCc2ccccc21
CCc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)NCc2ccco2)c1 CCc1cccc(c1)[*:1] C[C@@H](NC(=O)C(=O)N[*:1])C(=O)NCc1ccco1
CCc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] CCc1cccc(c1)NC(=O)C(=O)N[C@H](C)C(=O)N[*:1]
CCc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] CCc1cccc(c1)NC(=O)C(=O)N[C@H](C)C(=O)NC[*:1]
CCOc1ccccc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CCOCC1 C1CCN(CC1)[*:1] CCOc1ccccc1[C@@H](C)[NH2+]CC1(CCOCC1)[*:1]
CCOc1ccccc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CCOCC1 CCO[*:1] C[C@@H]([NH2+]CC1(CCOCC1)N1CCCCC1)c1ccccc1[*:1]
COc1ccc(-c2nc(NC(=O)C(C)(C)C)sc2C)cc1OC CC(C)(C)C(=O)N[*:1] COc1ccc(cc1OC)-c1nc(sc1C)[*:1]
COc1ccc(-c2nc(NC(=O)C(C)(C)C)sc2C)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)-c1nc(NC(=O)[*:1])sc1C
CCCN1C(=O)C(=O)N(CN2CCc3ccccc3C2)C1=O CCC[*:1] O=C1C(=O)N(C(=O)N1CN1CCc2ccccc2C1)[*:1]
Cn1nc(C2CC2)cc1C(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 Cn1nc(cc1[*:1])C1CC1 O=C(N1CCC(CC1)c1cc2nc(ccc2[nH]1)C(F)(F)F)[*:1]
Cn1nc(C2CC2)cc1C(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 FC(F)(F)[*:1] Cn1nc(cc1C(=O)N1CCC(CC1)c1cc2nc(ccc2[nH]1)[*:1])C1CC1
Cn1nc(C2CC2)cc1C(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 C1CC1[*:1] Cn1nc(cc1C(=O)N1CCC(CC1)c1cc2nc(ccc2[nH]1)C(F)(F)F)[*:1]
C[C@@H]1OCC[C@H]1C(=O)NCC[NH3+] [NH3+]CC[*:1] C[C@@H]1OCC[C@H]1C(=O)N[*:1]
CCOC(=O)c1csc(NC(=O)C2CCN(c3cc(-n4ccnc4C)ncn3)CC2)n1 CCOC(=O)[*:1] Cc1nccn1-c1cc(ncn1)N1CCC(CC1)C(=O)Nc1nc(cs1)[*:1]
CCOC(=O)c1csc(NC(=O)C2CCN(c3cc(-n4ccnc4C)ncn3)CC2)n1 CCOC(=O)c1csc(n1)[*:1] Cc1nccn1-c1cc(ncn1)N1CCC(CC1)C(=O)N[*:1]
CCOC(=O)c1csc(NC(=O)C2CCN(c3cc(-n4ccnc4C)ncn3)CC2)n1 Cc1nccn1[*:1] CCOC(=O)c1csc(n1)NC(=O)C1CCN(CC1)c1cc(ncn1)[*:1]
CCOc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1 CCO[*:1] Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1 CCOc1ccc(cc1)[*:1] Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N[*:1]
CC(C)N(CCO)c1ncnc2c1CCCCC2 OCC[*:1] CC(C)N(c1ncnc2CCCCCc21)[*:1]
CC(C)N(CCO)c1ncnc2c1CCCCC2 CC(C)[*:1] OCCN(c1ncnc2CCCCCc21)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCNC3=O)cc2)cc1C(=O)[O-] O=C1NCCN1[*:1] Cc1ccc(cc1C(=O)[O-])S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCNC3=O)cc2)cc1C(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(cc1)N1CCNC1=O
CCc1c(C)sc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)c1C#N CC(=O)N[*:1] CCc1c(C)sc(NC(=O)C[C@H](c2ccc(C)cc2)[*:1])c1C#N
CCc1c(C)sc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)c1C#N Cc1ccc(cc1)[*:1] CCc1c(C)sc(NC(=O)C[C@H](NC(C)=O)[*:1])c1C#N
COc1ccccc1Cn1c(=O)c2sccc2n2c(=O)n(Cc3ccccc3Cl)nc12 COc1ccccc1C[*:1] O=c1c2sccc2n2c(=O)n(Cc3ccccc3Cl)nc2n1[*:1]
COc1ccccc1Cn1c(=O)c2sccc2n2c(=O)n(Cc3ccccc3Cl)nc12 COc1ccccc1[*:1] O=c1c2sccc2n2c(=O)n(Cc3ccccc3Cl)nc2n1C[*:1]
COc1ccccc1Cn1c(=O)c2sccc2n2c(=O)n(Cc3ccccc3Cl)nc12 Clc1ccccc1C[*:1] COc1ccccc1Cn1c(=O)c2sccc2n2c(=O)n(nc12)[*:1]
COc1ccccc1Cn1c(=O)c2sccc2n2c(=O)n(Cc3ccccc3Cl)nc12 Clc1ccccc1[*:1] COc1ccccc1Cn1c(=O)c2sccc2n2c(=O)n(C[*:1])nc12
Cc1cc(OCC(=O)Nc2ccc(C)c(C)c2)nc(N2CCCCCC2)n1 Cc1ccc(cc1C)[*:1] Cc1cc(nc(n1)N1CCCCCC1)OCC(=O)N[*:1]
Cc1cc(OCC(=O)Nc2ccc(C)c(C)c2)nc(N2CCCCCC2)n1 C1CCCN(CC1)[*:1] Cc1cc(nc(n1)[*:1])OCC(=O)Nc1ccc(C)c(C)c1
CCN(Cc1ccoc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] c1cc(co1)C[*:1] CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[*:1]
CCN(Cc1ccoc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] c1cc(co1)[*:1] CCN(C[*:1])C(=O)c1ccc(Br)cc1[N+](=O)[O-]
CCN(Cc1ccoc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(Cc1ccoc1)C(=O)c1ccc(Br)cc1[*:1]
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)n1cc(Cl)cn1 O=C([O-])[*:1] O=C([C@@H]1[C@@H]([C@@H]2CC[C@H]1O2)[*:1])n1cc(Cl)cn1
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl Clc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)Nc1ccccc1Cl
COCCN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 COCC[*:1] CN(C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)[*:1]
COCCN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 COC[*:1] CN(C[*:1])C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
COCCN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 COCCN(C)C(=O)[*:1] Clc1ccc2[nH]c(c(-c3ccccc3)c2c1)[*:1]
COCCN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 c1ccc(cc1)[*:1] COCCN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1[*:1]
CCS[C@H](CC(C)=O)c1ccc(Cl)c(Cl)c1 CC(=O)[*:1] CCS[C@H](C[*:1])c1ccc(Cl)c(Cl)c1
CCS[C@H](CC(C)=O)c1ccc(Cl)c(Cl)c1 CC(=O)C[*:1] CCS[C@H](c1ccc(Cl)c(Cl)c1)[*:1]
CCS[C@H](CC(C)=O)c1ccc(Cl)c(Cl)c1 CCS[*:1] CC(=O)C[C@H](c1ccc(Cl)c(Cl)c1)[*:1]
Cc1cc(C)cc(OCCOC(=O)c2cncc(Br)c2)c1 Brc1cncc(c1)[*:1] Cc1cc(C)cc(c1)OCCOC(=O)[*:1]
O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccnc1 c1cncc(c1)[*:1] O=C1c2ccccc2C(=O)N1c1cccc(c1)NC(=O)[*:1]
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccn(C)n3)[C@H]2SC1 O=C([O-])[*:1] CC1CS[C@@H]2[C@H](NC(=O)c3ccn(C)n3)C(=O)N2C=1[*:1]
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccn(C)n3)[C@H]2SC1 Cn1ccc(n1)[*:1] CC1CS[C@@H]2[C@H](NC(=O)[*:1])C(=O)N2C=1C(=O)[O-]
COc1cc2c(cc1OC)CN(C(=O)c1cccs1)CC2 c1csc(c1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccnc1Cl Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)Nc1cccnc1Cl)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] Cc1onc(c1C(=O)N[*:1])-c1c(F)cccc1Cl
N#Cc1ccc(OCc2ncc(-c3ccccc3)o2)c(Cl)c1 c1ccc(cc1)[*:1] N#Cc1ccc(OCc2ncc(o2)[*:1])c(Cl)c1
C[C@@H](NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1Cl c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1CC[NH+](CC=C[*:1])CC1)c1ccccc1Cl
C[C@@H](NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1Cl C(=C[*:1])c1ccccc1 C[C@@H](NC(=O)CN1CC[NH+](CC1)C[*:1])c1ccccc1Cl
C[C@@H](NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1Cl C[C@@H](c1ccccc1Cl)[*:1] O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)N[*:1]
C[C@@H](NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1)[*:1]
C[C@@H](NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1Cl C(=C/c1ccccc1)\C[*:1] C[C@@H](NC(=O)CN1CC[NH+](CC1)[*:1])c1ccccc1Cl
CCSCC[C@H](C)NC(=O)N(C)Cc1nc(C)cs1 CCSCC[*:1] Cc1csc(CN(C)C(=O)N[C@@H](C)[*:1])n1
CCSCC[C@H](C)NC(=O)N(C)Cc1nc(C)cs1 Cc1csc(n1)[*:1] CCSCC[C@H](C)NC(=O)N(C)C[*:1]
CCSCC[C@H](C)NC(=O)N(C)Cc1nc(C)cs1 CCSC[*:1] Cc1csc(CN(C)C(=O)N[C@@H](C)C[*:1])n1
CCSCC[C@H](C)NC(=O)N(C)Cc1nc(C)cs1 CCS[*:1] Cc1csc(CN(C)C(=O)N[C@@H](C)CC[*:1])n1
O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC[C@@H]1c1nnc2ccccn12 c1cc2OCCc2cc1[*:1] O=C(C=C[*:1])N1CCC[C@@H]1c1nnc2ccccn12
O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC[C@@H]1c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] O=C(/C=C/c1ccc2OCCc2c1)N1CCC[C@H]1[*:1]
Cc1cc(C)c(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(NC(=O)CCCN(C)S(=O)(=O)[*:1])c(C)c1
Cc1ccccc1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C Cc1ccccc1[*:1] Cc1cccn2c(=O)c3cc(C(=O)N[*:1])n(C)c3nc12
CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 Cn1cc(cc1C(N)=O)[*:1] CCc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 CCc1cccc(c1)[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 NC(=O)[*:1] CCc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)c1cc(n(C)c1)[*:1]
C=CCn1c(C)nnc1SCC(=O)Nc1ccc(OC)c(Cl)c1 C=CC[*:1] COc1ccc(cc1Cl)NC(=O)CSc1nnc(C)n1[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2nncn2c1 COC(=O)[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])c1ccc2nncn2c1
CSCCc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 CSC[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc(cc1)CN1CCCC1=O
CSCCc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 O=C1CCCN1[*:1] CSCCc1ccc(cc1)NC(=O)c1ccc(cc1)C[*:1]
CSCCc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 O=C1CCCN1C[*:1] CSCCc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CSCCc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 CSCC[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)CN1CCCC1=O
C[C@H]1CCN(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 CC(C)(C)[*:1] C[C@H]1CCN(C1)C(=O)N[C@H]1CCCN(C1)C(=O)O[*:1]
COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(F)c(F)c2)C1 COCCNC(=O)[*:1] C[C@H]1CC[C@H](CN1C(=O)c1ccc(F)c(F)c1)[*:1]
COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] COCCNC(=O)[C@@H]1CC[C@H](C)N(C1)C(=O)[*:1]
COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(F)c(F)c2)C1 COCC[*:1] C[C@H]1CC[C@H](CN1C(=O)c1ccc(F)c(F)c1)C(=O)N[*:1]
COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc(F)c(F)c2)C1 COC[*:1] C[C@H]1CC[C@H](CN1C(=O)c1ccc(F)c(F)c1)C(=O)NC[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NCc2cccc(O)c2)c1 CC(=O)N(C)C[*:1] O=C(NCc1cccc(O)c1)Nc1cccc(c1)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NCc2cccc(O)c2)c1 Oc1cccc(c1)[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)NC[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NCc2cccc(O)c2)c1 Oc1cccc(c1)C[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)N[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NCc2cccc(O)c2)c1 CC(=O)N(C)[*:1] O=C(NCc1cccc(O)c1)Nc1cccc(c1)C[*:1]
OC1=N/C(=N\c2ccccc2)S/C1=C\c1cccs1 c1ccc(cc1)[*:1] OC1=NC(=N[*:1])S/C1=C\c1cccs1
OC1=N/C(=N\c2ccccc2)S/C1=C\c1cccs1 c1csc(c1)[*:1] OC1=N/C(=N\c2ccccc2)SC1=C[*:1]
CCC(=O)Nc1cccc(C(=O)NCc2ccnc(OC3CCC3)c2)c1 C1CC(C1)O[*:1] CCC(=O)Nc1cccc(c1)C(=O)NCc1ccnc(c1)[*:1]
CCC(=O)Nc1cccc(C(=O)NCc2ccnc(OC3CCC3)c2)c1 C1CC(C1)[*:1] CCC(=O)Nc1cccc(c1)C(=O)NCc1ccnc(c1)O[*:1]
CCC(=O)Nc1cccc(C(=O)NCc2ccnc(OC3CCC3)c2)c1 CCC(=O)N[*:1] O=C(NCc1ccnc(c1)OC1CCC1)c1cccc(c1)[*:1]
Cc1cccc(CCNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1 C1CC1[*:1] Cc1cccc(c1)CCNC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(CCNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1 Cc1cccc(c1)[*:1] O=C(NCC[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
CO[C@H](CNC(=O)CCn1c(C)csc1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)CCn1c(C)csc1=O)[*:1]
CO[C@H](CNC(=O)CCn1c(C)csc1=O)c1ccc(F)cc1 Cc1csc(=O)n1[*:1] CO[C@H](CNC(=O)CC[*:1])c1ccc(F)cc1
N#Cc1ccc(OC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(O[*:1])C1CCN(CC1)c1ccc(cn1)C(F)(F)F
N#Cc1ccc(OC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)OC(=O)C1CCN(CC1)c1ccc(cn1)[*:1]
Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccco2)o1 c1coc(c1)[*:1] Cc1ccc(F)cc1NC(=O)CSc1nnc(o1)[*:1]
Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCc1nc2ccccc2[nH]1
O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)Nc1cccnc1 O=C(C[*:1])Nc1cccnc1 O=c1oc2cc(ccc2cc1-c1cc(F)cc(F)c1)O[*:1]
O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)Nc1cccnc1 O=C(Nc1cccnc1)[*:1] O=c1oc2cc(ccc2cc1-c1cc(F)cc(F)c1)OC[*:1]
O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)N[*:1]
O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)Nc1cccnc1 Fc1cc(F)cc(c1)[*:1] O=C(COc1ccc2cc(c(=O)oc2c1)[*:1])Nc1cccnc1
Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ncccn3)CC2)cc1C(N)=O Cn1cc(cc1C(N)=O)[*:1] O=C(Nc1ncccn1)C1CCN(CC1)S(=O)(=O)[*:1]
Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ncccn3)CC2)cc1C(N)=O NC(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)N1CCC(CC1)C(=O)Nc1ncccn1
Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ncccn3)CC2)cc1C(N)=O O=C(Nc1ncccn1)[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N1CCC(CC1)[*:1]
Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ncccn3)CC2)cc1C(N)=O c1cnc(nc1)[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccccc1C[NH2+][C@H](C)c1cccc(-n2cncn2)c1 Cc1ccccc1[*:1] C[C@@H]([NH2+]C[*:1])c1cccc(c1)-n1cncn1
Cc1ccccc1C[NH2+][C@H](C)c1cccc(-n2cncn2)c1 c1ncn(n1)[*:1] Cc1ccccc1C[NH2+][C@H](C)c1cccc(c1)[*:1]
COc1ccc(NC(=S)N(C)Cc2c(C)nn(C)c2C)c(OC)c1 Cc1nn(C)c(C)c1[*:1] COc1ccc(NC(=S)N(C)C[*:1])c(c1)OC
CCC[NH2+]Cc1sc(N(C)C2CCCCC2)nc1C(C)C CC(C)[*:1] CCC[NH2+]Cc1sc(nc1[*:1])N(C)C1CCCCC1
CCC[NH2+]Cc1sc(N(C)C2CCCCC2)nc1C(C)C CCC[*:1] CC(C)c1nc(sc1C[NH2+][*:1])N(C)C1CCCCC1
CCC[NH2+]Cc1sc(N(C)C2CCCCC2)nc1C(C)C C1CCC(CC1)[*:1] CCC[NH2+]Cc1sc(nc1C(C)C)N(C)[*:1]
C[NH2+][C@H](c1ccc(Cl)cc1F)C(C)(C)OC COC(C)(C)[*:1] C[NH2+][C@H](c1ccc(Cl)cc1F)[*:1]
Cc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 Cc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)CSc1nc2c(c[nH]c2c(=O)n1[*:1])-c1ccccc1
Cc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 Cc1cc(no1)NC(=O)[*:1] Cc1cccc(c1)-n1c(nc2c(c[nH]c2c1=O)-c1ccccc1)SC[*:1]
Cc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-n1c(nc2c(c[nH]c2c1=O)[*:1])SCC(=O)Nc1cc(C)on1
Cc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 Cc1cc(no1)[*:1] Cc1cccc(c1)-n1c(nc2c(c[nH]c2c1=O)-c1ccccc1)SCC(=O)N[*:1]
Cc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 Cc1cc(no1)NC(=O)CS[*:1] Cc1cccc(c1)-n1c(nc2c(c[nH]c2c1=O)-c1ccccc1)[*:1]
Cc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 Cc1cc(no1)NC(=O)C[*:1] Cc1cccc(c1)-n1c(nc2c(c[nH]c2c1=O)-c1ccccc1)S[*:1]
Cc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@H]32)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C1C[C@@H]([C@@H]2C(=O)N=C(N=C2N1)SCc1ccccc1Cl)[*:1]
Cc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@H]32)cc1 Clc1ccccc1C[*:1] Cc1ccc(cc1)NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)S[*:1]
Cc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@H]32)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)SC[*:1]
Cc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@H]32)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])[C@@H]2C(=O)N=C(N=C2N1)SCc1ccccc1Cl
CCCOCC[C@@H]1CCC[C@]1(C#N)NC1CC1 CCC[*:1] N#C[C@@]1(CCC[C@H]1CCO[*:1])NC1CC1
CCCOCC[C@@H]1CCC[C@]1(C#N)NC1CC1 CCCOC[*:1] N#C[C@@]1(CCC[C@H]1C[*:1])NC1CC1
CCCOCC[C@@H]1CCC[C@]1(C#N)NC1CC1 C1CC1N[*:1] CCCOCC[C@@H]1CCC[C@@]1(C#N)[*:1]
CCCOCC[C@@H]1CCC[C@]1(C#N)NC1CC1 CCCO[*:1] N#C[C@@]1(CCC[C@H]1CC[*:1])NC1CC1
CCCOCC[C@@H]1CCC[C@]1(C#N)NC1CC1 C1CC1[*:1] CCCOCC[C@@H]1CCC[C@]1(C#N)N[*:1]
COC(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2C)s1 COC(=O)[*:1] Cc1cc(ccc1NC(=O)c1ccc(s1)[*:1])C(N)=O
COC(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2C)s1 NC(=O)[*:1] COC(=O)c1ccc(s1)C(=O)Nc1ccc(cc1C)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCC[C@H]1c1ccco1 c1coc(c1)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCC[C@@H]1[*:1]
CCOC[C@@H](C)N[C@H]1CCN(C2CCCCC2)C1=O CCOC[*:1] C[C@@H](N[C@H]1CCN(C1=O)C1CCCCC1)[*:1]
CCOC[C@@H](C)N[C@H]1CCN(C2CCCCC2)C1=O CCO[*:1] C[C@H](C[*:1])N[C@H]1CCN(C1=O)C1CCCCC1
CCOC[C@@H](C)N[C@H]1CCN(C2CCCCC2)C1=O CCOC[C@@H](C)[*:1] O=C1[C@H](CCN1C1CCCCC1)N[*:1]
CCOC[C@@H](C)N[C@H]1CCN(C2CCCCC2)C1=O C1CCC(CC1)[*:1] CCOC[C@@H](C)N[C@H]1CCN(C1=O)[*:1]
CC(C)c1cccc(N2C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)CC2=O)c1 CC(C)[*:1] C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
[NH3+][C@@H]1Cc2ccccc2[C@H]1NC(=O)NC1CCCC1 C1CCC(C1)[*:1] [NH3+][C@@H]1Cc2ccccc2[C@H]1NC(=O)N[*:1]
CCCCOS(C)(=O)=O CCC[*:1] CS(=O)(=O)OC[*:1]
Cc1nc(CNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c(C)s1 Cc1nc(C[*:1])c(C)s1 Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[*:1]
Cc1nc(CNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c(C)s1 Cc1nc(c(C)s1)[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[*:1]
Cc1nc(CNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c(C)s1 Fc1ccc(cc1)[*:1] Cc1nc(CNC(=O)c2c(C)nn(c2C)[*:1])c(C)s1
C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1Br Brc1ccccc1[*:1] C[C@H](NC(=O)c1ccc(cc1)C[NH+](C)C)[*:1]
O=[S@](CCc1ccccc1)Cc1cc(Cl)c2c(c1)OCCO2 c1ccc(cc1)C[*:1] O=[S@@](Cc1cc(Cl)c2OCCOc2c1)C[*:1]
O=[S@](CCc1ccccc1)Cc1cc(Cl)c2c(c1)OCCO2 c1ccc(cc1)[*:1] O=[S@](CC[*:1])Cc1cc(Cl)c2OCCOc2c1
Cc1ccc2nc(N3CCC[C@@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)sc2c1 Fc1ccccc1[*:1] Cc1ccc2nc(sc2c1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc2nc(N3CCC[C@@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] O=C([C@@H]1CCCN(C1)[*:1])N1CCN(CC1)c1ccccc1F
CC(C)[NH+]1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)CC1 CC(C)[*:1] O=C(NCCC(=O)N1CCC[NH+](CC1)[*:1])c1ccc(F)cc1Cl
CC(C)[NH+]1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)CC1 Fc1ccc(c(Cl)c1)[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)CCNC(=O)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1C(=O)N[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)Nc1ccc(C)cc1)[*:1]
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Nc1ccc(Cl)c(c1)[N+](=O)[O-])c1cccc(c1)[*:1]
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1cccc(c1)C(F)(F)F
CNC(=O)[C@H](C)Oc1cc([N+](=O)[O-])c(C(=O)[O-])cc1OC O=[N+]([O-])[*:1] CNC(=O)[C@H](C)Oc1cc(c(cc1OC)C(=O)[O-])[*:1]
CNC(=O)[C@H](C)Oc1cc([N+](=O)[O-])c(C(=O)[O-])cc1OC CNC(=O)[C@H](C)O[*:1] COc1cc(C(=O)[O-])c(cc1[*:1])[N+](=O)[O-]
CNC(=O)[C@H](C)Oc1cc([N+](=O)[O-])c(C(=O)[O-])cc1OC O=C([O-])[*:1] CNC(=O)[C@H](C)Oc1cc(c(cc1OC)[*:1])[N+](=O)[O-]
CNC(=O)[C@H](C)Oc1cc([N+](=O)[O-])c(C(=O)[O-])cc1OC CNC(=O)[*:1] COc1cc(C(=O)[O-])c(cc1O[C@@H](C)[*:1])[N+](=O)[O-]
CNC(=O)[C@H](C)Oc1cc([N+](=O)[O-])c(C(=O)[O-])cc1OC CNC(=O)[C@H](C)[*:1] COc1cc(C(=O)[O-])c(cc1O[*:1])[N+](=O)[O-]
Nc1cccnc1Nc1ccc2c(c1)Cc1ccccc1-2 Nc1cccnc1[*:1] c1ccc2c(c1)Cc1cc(ccc1-2)N[*:1]
CCOc1ccccc1NC(=O)c1nc2ncccn2n1 CCO[*:1] O=C(Nc1ccccc1[*:1])c1nc2ncccn2n1
C[C@@H]1CCN(C(=O)OCCO)C1 OCC[*:1] C[C@@H]1CCN(C1)C(=O)O[*:1]
CCOc1ccccc1-c1cccc(C(=O)OCc2nc(C)c(C)o2)c1 CCO[*:1] Cc1nc(COC(=O)c2cccc(c2)-c2ccccc2[*:1])oc1C
CCOc1ccccc1-c1cccc(C(=O)OCc2nc(C)c(C)o2)c1 Cc1nc(oc1C)[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)OC[*:1]
CCOc1ccccc1-c1cccc(C(=O)OCc2nc(C)c(C)o2)c1 Cc1nc(C[*:1])oc1C CCOc1ccccc1-c1cccc(c1)C(=O)O[*:1]
O=[N+]([O-])c1c(NCCc2cccs2)ncnc1OC1CCCCC1 O=[N+]([O-])[*:1] c1csc(c1)CCNc1ncnc(OC2CCCCC2)c1[*:1]
O=[N+]([O-])c1c(NCCc2cccs2)ncnc1OC1CCCCC1 C1CCC(CC1)O[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NCCc1cccs1
O=[N+]([O-])c1c(NCCc2cccs2)ncnc1OC1CCCCC1 c1csc(c1)C[*:1] O=[N+]([O-])c1c(ncnc1OC1CCCCC1)NC[*:1]
O=[N+]([O-])c1c(NCCc2cccs2)ncnc1OC1CCCCC1 c1csc(c1)CC[*:1] O=[N+]([O-])c1c(ncnc1OC1CCCCC1)N[*:1]
O=[N+]([O-])c1c(NCCc2cccs2)ncnc1OC1CCCCC1 c1csc(c1)[*:1] O=[N+]([O-])c1c(ncnc1OC1CCCCC1)NCC[*:1]
O=[N+]([O-])c1c(NCCc2cccs2)ncnc1OC1CCCCC1 c1csc(c1)CCN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])OC1CCCCC1
O=[N+]([O-])c1c(NCCc2cccs2)ncnc1OC1CCCCC1 C1CCC(CC1)[*:1] O=[N+]([O-])c1c(ncnc1O[*:1])NCCc1cccs1
COc1ccc([C@H]2[C@@H]3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C1C[C@H](CC2=Nc3ncnn3[C@H]([C@H]12)[*:1])c1ccccc1
COc1ccc([C@H]2[C@@H]3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1[C@@H]2C(=O)C[C@@H](CC2=Nc2ncnn21)[*:1]
CCCC(=O)Oc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 CCCC(=O)O[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(cc1)[*:1]
CCCC(=O)Oc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 CCC[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(cc1)OC(=O)[*:1]
C[C@@H]1CCC[C@@]([C@H](N)c2cccs2)([NH+](C)C)C1 c1csc(c1)[*:1] C[C@@H]1CCC[C@@](C1)([C@H](N)[*:1])[NH+](C)C
CC(C)c1ccc(Oc2nc3cc(N)ccc3[nH]2)cc1 CC(C)[*:1] Nc1ccc2[nH]c(nc2c1)Oc1ccc(cc1)[*:1]
Cc1cccc(N2CCN(C(=O)CN3CCSC3=O)CC2)c1C O=C1SCCN1C[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(N2CCN(C(=O)CN3CCSC3=O)CC2)c1C O=C1SCCN1[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)C[*:1]
Cc1c([C@@H](C)[NH2+][C@@H](C)CCN2CCOCC2)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)[NH2+][C@@H](C)CCN1CCOCC1
Cc1c([C@@H](C)[NH2+][C@@H](C)CCN2CCOCC2)cnn1-c1cccc(Cl)c1 C1CN(CCO1)[*:1] Cc1c(cnn1-c1cccc(Cl)c1)[C@@H](C)[NH2+][C@@H](C)CC[*:1]
Cc1c([C@@H](C)[NH2+][C@@H](C)CCN2CCOCC2)cnn1-c1cccc(Cl)c1 C1CN(CCO1)C[*:1] Cc1c(cnn1-c1cccc(Cl)c1)[C@@H](C)[NH2+][C@@H](C)C[*:1]
Cc1c([C@@H](C)[NH2+][C@@H](C)CCN2CCOCC2)cnn1-c1cccc(Cl)c1 C1CN(CCO1)CC[*:1] Cc1c(cnn1-c1cccc(Cl)c1)[C@@H](C)[NH2+][C@@H](C)[*:1]
O=C(CCc1ccsc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 c1cc(cs1)CC[*:1] O=C(N1CCC[C@H]1c1nc2ccccc2[nH]1)[*:1]
O=C(CCc1ccsc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 c1cc(cs1)C[*:1] O=C(C[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
O=C(CCc1ccsc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 c1cc(cs1)[*:1] O=C(CC[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
CC(C)(C)Cc1nc(-c2cccc(C(=O)NC[C@@H]3CCC[C@H]3O)c2)no1 CC(C)(C)C[*:1] O=C(NC[C@@H]1CCC[C@H]1O)c1cccc(c1)-c1noc(n1)[*:1]
CC(C)(C)Cc1nc(-c2cccc(C(=O)NC[C@@H]3CCC[C@H]3O)c2)no1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCC[C@H]1O)c1cccc(c1)-c1noc(C[*:1])n1
Cc1ccc(C)c(-c2csc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCCC3)n2)c1 CN(C)S(=O)(=O)[*:1] Cc1ccc(C)c(c1)-c1csc(n1)NC(=O)c1cc(ccc1N1CCCCC1)[*:1]
Cc1ccc(C)c(-c2csc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCCC3)n2)c1 Cc1ccc(C)c(c1)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)C(=O)Nc1nc(cs1)[*:1])N1CCCCC1
Cc1ccc(C)c(-c2csc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCCC3)n2)c1 C1CCN(CC1)[*:1] Cc1ccc(C)c(c1)-c1csc(n1)NC(=O)c1cc(ccc1[*:1])S(=O)(=O)N(C)C
CC(C)CNC(=O)CN1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)CNC(=O)CN1CCn2cccc2[C@H]1[*:1]
CC(C)CNC(=O)CN1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 CC(C)[*:1] O=C(CN1CCn2cccc2[C@@H]1c1ccc(Cl)cc1)NC[*:1]
CC(C)CNC(=O)CN1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 CC(C)CNC(=O)C[*:1] Clc1ccc(cc1)[C@H]1c2cccn2CCN1[*:1]
CC(C)CNC(=O)CN1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 CC(C)C[*:1] O=C(CN1CCn2cccc2[C@@H]1c1ccc(Cl)cc1)N[*:1]
CC(C)CNC(=O)CN1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 CC(C)CNC(=O)[*:1] Clc1ccc(cc1)[C@H]1c2cccn2CCN1C[*:1]
CCc1ccc(CN(C)C(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1 CC(C)[*:1] CCc1ccc(cc1)CN(C)C(=O)NCc1ccc(cc1)NC(=O)[*:1]
CCc1ccc(CN(C)C(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1 CC(C)C(=O)N[*:1] CCc1ccc(cc1)CN(C)C(=O)NCc1ccc(cc1)[*:1]
CCc1ccc(CN(C)C(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1 CCc1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)CNC(=O)N(C)C[*:1]
CCc1ccc(CN(C)C(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1 CCc1ccc(cc1)C[*:1] CC(C)C(=O)Nc1ccc(cc1)CNC(=O)N(C)[*:1]
C[C@@H](NC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(C#N)cc1 NC(=O)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccc(C#N)cc1
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 Fc1ccc(cc1F)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 CCN(CC)S(=O)(=O)[*:1] O=C(Nc1nc(cs1)-c1ccc(F)c(F)c1)c1ccc(cc1)[*:1]
CN(C)c1ccc(F)c(C(=O)[O-])c1 O=C([O-])[*:1] CN(C)c1ccc(F)c(c1)[*:1]
CN(C)c1ccc(F)c(C(=O)[O-])c1 CN(C)[*:1] O=C([O-])c1cc(ccc1F)[*:1]
CCCCN(C)C(=O)Nc1cccc(C)c1 CCCC[*:1] Cc1cccc(c1)NC(=O)N(C)[*:1]
CCCCN(C)C(=O)Nc1cccc(C)c1 CCC[*:1] Cc1cccc(c1)NC(=O)N(C)C[*:1]
CS(=O)(=O)CCC(=O)NC1(c2ccc(F)cc2F)CCCC1 CS(=O)(=O)[*:1] O=C(CC[*:1])NC1(CCCC1)c1ccc(F)cc1F
CS(=O)(=O)CCC(=O)NC1(c2ccc(F)cc2F)CCCC1 CS(=O)(=O)C[*:1] O=C(C[*:1])NC1(CCCC1)c1ccc(F)cc1F
CS(=O)(=O)CCC(=O)NC1(c2ccc(F)cc2F)CCCC1 CS(=O)(=O)CC[*:1] O=C(NC1(CCCC1)c1ccc(F)cc1F)[*:1]
NC(=O)[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2)C1 NC(=O)[*:1] O=C(CCOc1ccc(Cl)cc1)N1CC[C@@H](C1)[*:1]
Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)O1 NC(=O)[*:1] Cc1nc(sc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](O1)[*:1])-c1cccnc1
Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)O1 c1cncc(c1)[*:1] Cc1nc(sc1[C@@H](C)[NH2+]C[C@H]1CC[C@@H](O1)C(N)=O)[*:1]
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2c(Cl)ccc(Cl)c21 CCOC(=O)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)/N=c1\sc2c(Cl)ccc(Cl)c2n1C[*:1]
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2c(Cl)ccc(Cl)c21 CS(=O)(=O)c1ccc(cc1)[*:1] CCOC(=O)Cn1/c(=N/C(=O)[*:1])sc2c(Cl)ccc(Cl)c21
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2c(Cl)ccc(Cl)c21 CCOC(=O)C[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)/N=c1\sc2c(Cl)ccc(Cl)c2n1[*:1]
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2c(Cl)ccc(Cl)c21 CS(=O)(=O)[*:1] CCOC(=O)Cn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2c(Cl)ccc(Cl)c21
CCOc1cc([C@@H]2NC(=O)c3ccccc3N2C)cc(Br)c1O CCO[*:1] CN1c2ccccc2C(=O)N[C@H]1c1cc(Br)c(O)c(c1)[*:1]
Cc1c(C(=O)CC[NH+](C)C)cnn1-c1ncccn1 c1cnc(nc1)[*:1] Cc1c(cnn1[*:1])C(=O)CC[NH+](C)C
CCCN(CC)C(=O)[C@H]1C[C@@H](C)Nc2ccccc21 CCC[*:1] CCN(C(=O)[C@H]1C[C@@H](C)Nc2ccccc21)[*:1]
COc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCO[C@@H]1C(C)C CC(C)[*:1] COc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCO[C@H]1[*:1]
CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccncc1 CC(C)[*:1] O=C(CSc1nnc(-c2ccncc2)n1C[*:1])Nc1ccc2OCOc2c1
CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccncc1 CC(C)C[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])Nc1ccc2OCOc2c1
CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CC(C)Cn1c(nnc1[*:1])SCC(=O)Nc1ccc2OCOc2c1
CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccncc1 c1cc2OCOc2cc1[*:1] CC(C)Cn1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
CC(C)c1ccc(-c2nnc(S[C@@H]3CCCC[C@H]3O)o2)cc1 CC(C)[*:1] O[C@@H]1CCCC[C@H]1Sc1nnc(o1)-c1ccc(cc1)[*:1]
O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)n21)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)n21)NC[*:1]
O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)n21)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)n21)N[*:1]
O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)n21)NC[C@@H]1CCCO1 O=C(NC[C@@H]1CCCO1)[*:1] O=c1c2cnn(-c3ccc(Cl)cc3)c2nc2SC[C@@H](C[*:1])n21
O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)n21)NC[C@@H]1CCCO1 O=C(C[*:1])NC[C@@H]1CCCO1 O=c1c2cnn(-c3ccc(Cl)cc3)c2nc2SC[C@H](n21)[*:1]
O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)n21)NC[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21)NC[C@@H]1CCCO1
O=C(C[C@@H]1C=CCC1)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] O=C(C[C@@H]1C=CCC1)NCCN1C(=O)SC(=C[*:1])C1=O
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc21)[C@@H]1CC=CC[C@@H]1[*:1]
CCN1C(=O)/C(=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c2ccccc21 Cc1ccc(cc1C)[*:1] CCN1C(=O)/C(=C(/C#N)C(=O)N[*:1])c2ccccc21
COc1ccc(F)c(NC(=O)NCCc2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1ccc(F)c(c1)NC(=O)NCC[*:1]
C=CCN(CCO)C(=O)N[C@@H]1CCC[C@@H](CC)C1 OCC[*:1] C=CCN(C(=O)N[C@@H]1CCC[C@@H](CC)C1)[*:1]
C=CCN(CCO)C(=O)N[C@@H]1CCC[C@@H](CC)C1 C=CC[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)N(CCO)[*:1]
CCc1nn(-c2cc(Oc3ccccc3C)ncn2)c(N)c1C#N Cc1ccccc1O[*:1] CCc1nn(-c2cc(ncn2)[*:1])c(N)c1C#N
CCc1nn(-c2cc(Oc3ccccc3C)ncn2)c(N)c1C#N Cc1ccccc1[*:1] CCc1nn(-c2cc(ncn2)O[*:1])c(N)c1C#N
Cc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1C c1coc(c1)C[*:1] Cc1ccc2cc(CN(C(=O)Nc3ccc(Cl)cc3)[*:1])c(=O)[nH]c2c1C
Cc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1C Clc1ccc(cc1)[*:1] Cc1ccc2cc(CN(Cc3ccco3)C(=O)N[*:1])c(=O)[nH]c2c1C
Cc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1C c1coc(c1)[*:1] Cc1ccc2cc(CN(C[*:1])C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1C
CCCCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CCCCC[*:1] O=C(Nc1ccc(F)c(c1)[N+](=O)[O-])[*:1]
CCCCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CCC[*:1] O=C(CC[*:1])Nc1ccc(F)c(c1)[N+](=O)[O-]
CCCCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCCCCC(=O)Nc1ccc(F)c(c1)[*:1]
CCCCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CCCC[*:1] O=C(C[*:1])Nc1ccc(F)c(c1)[N+](=O)[O-]
O=C1OCC[C@H]1Sc1nnc(-c2ccccn2)o1 O=C1OCC[C@@H]1[*:1] c1ccc(nc1)-c1nnc(o1)S[*:1]
O=C1OCC[C@H]1Sc1nnc(-c2ccccn2)o1 c1ccc(nc1)[*:1] O=C1OCC[C@H]1Sc1nnc(o1)[*:1]
O=C1C[C@@H](c2cc(=O)n3nc(-c4cccc(Cl)c4)cc3[nH]2)CN1Cc1ccccc1 Clc1cccc(c1)[*:1] O=C1C[C@H](CN1Cc1ccccc1)c1cc(=O)n2nc(cc2[nH]1)[*:1]
O=C1C[C@@H](c2cc(=O)n3nc(-c4cccc(Cl)c4)cc3[nH]2)CN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@H](CN1[*:1])c1cc(=O)n2nc(cc2[nH]1)-c1cccc(Cl)c1
O=C1C[C@@H](c2cc(=O)n3nc(-c4cccc(Cl)c4)cc3[nH]2)CN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1C[*:1])c1cc(=O)n2nc(cc2[nH]1)-c1cccc(Cl)c1
COC(=O)[C@@]1(F)CCN(C(=O)/C=C/c2cccc3cccnc23)C1 COC(=O)[*:1] O=C(/C=C/c1cccc2cccnc12)N1CC[C@](F)(C1)[*:1]
C#CCOc1ccc(Br)cc1CN1C[C@H](CO)OC[C@@H]1C C#CCO[*:1] C[C@H]1CO[C@@H](CO)CN1Cc1cc(Br)ccc1[*:1]
C#CCOc1ccc(Br)cc1CN1C[C@H](CO)OC[C@@H]1C C#CC[*:1] C[C@H]1CO[C@@H](CO)CN1Cc1cc(Br)ccc1O[*:1]
O=C(NCC[C@@H](O)c1cccs1)c1cc(-c2ccco2)on1 O[C@@H](c1cccs1)[*:1] O=C(NCC[*:1])c1cc(on1)-c1ccco1
O=C(NCC[C@@H](O)c1cccs1)c1cc(-c2ccco2)on1 c1coc(c1)[*:1] O=C(NCC[C@@H](O)c1cccs1)c1cc(on1)[*:1]
O=C(NCC[C@@H](O)c1cccs1)c1cc(-c2ccco2)on1 c1csc(c1)[*:1] O=C(NCC[C@@H](O)[*:1])c1cc(on1)-c1ccco1
COCCNC(=O)[C@H](C)Sc1ncn(-c2ccccc2)n1 COCC[*:1] C[C@H](Sc1ncn(n1)-c1ccccc1)C(=O)N[*:1]
COCCNC(=O)[C@H](C)Sc1ncn(-c2ccccc2)n1 COCCNC(=O)[*:1] C[C@H](Sc1ncn(n1)-c1ccccc1)[*:1]
COCCNC(=O)[C@H](C)Sc1ncn(-c2ccccc2)n1 COC[*:1] C[C@H](Sc1ncn(n1)-c1ccccc1)C(=O)NC[*:1]
COCCNC(=O)[C@H](C)Sc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] COCCNC(=O)[C@H](C)Sc1ncn(n1)[*:1]
O=C(OCc1ccc(-n2ccnc2)nc1)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] O=C(OCc1ccc(nc1)-n1ccnc1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(OCc1ccc(-n2ccnc2)nc1)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] O=C(OCc1ccc(nc1)-n1ccnc1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(OCc1ccc(-n2ccnc2)nc1)[C@@H]1CC(=O)N(CC2CC2)C1 c1cn(cn1)[*:1] O=C(OCc1ccc(nc1)[*:1])[C@@H]1CC(=O)N(CC2CC2)C1
O=C1NC2=C(C(=O)N(Cc3ccc(F)cc3)C2)[C@@H](c2ccccc2)N1 c1ccc(cc1)[*:1] O=C1NC2CN(Cc3ccc(F)cc3)C(=O)C=2[C@@H](N1)[*:1]
O=C1NC2=C(C(=O)N(Cc3ccc(F)cc3)C2)[C@@H](c2ccccc2)N1 Fc1ccc(cc1)C[*:1] O=C1NC2CN(C(=O)C=2[C@H](N1)c1ccccc1)[*:1]
O=C1NC2=C(C(=O)N(Cc3ccc(F)cc3)C2)[C@@H](c2ccccc2)N1 Fc1ccc(cc1)[*:1] O=C1NC2CN(C[*:1])C(=O)C=2[C@H](N1)c1ccccc1
N#CCCn1cc(CO)c(-c2ccc(Cl)cc2)n1 N#CCC[*:1] OCc1cn(nc1-c1ccc(Cl)cc1)[*:1]
N#CCCn1cc(CO)c(-c2ccc(Cl)cc2)n1 N#CC[*:1] OCc1cn(C[*:1])nc1-c1ccc(Cl)cc1
COCC[NH+](Cc1ccc(C)o1)Cc1cccn1C COCC[*:1] Cc1ccc(C[NH+](Cc2cccn2C)[*:1])o1
COCC[NH+](Cc1ccc(C)o1)Cc1cccn1C COC[*:1] Cc1ccc(C[NH+](Cc2cccn2C)C[*:1])o1
COCC[NH+](Cc1ccc(C)o1)Cc1cccn1C Cn1cccc1[*:1] COCC[NH+](Cc1ccc(C)o1)C[*:1]
COCC[NH+](Cc1ccc(C)o1)Cc1cccn1C Cc1ccc(o1)[*:1] COCC[NH+](Cc1cccn1C)C[*:1]
CC(C)c1csc(NC(=O)c2cccc(Cl)c2Cl)n1 CC(C)[*:1] O=C(Nc1nc(cs1)[*:1])c1cccc(Cl)c1Cl
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)cc1OC O=S(=O)(N1CCCCC1)[*:1] COc1ccc(cc1OC)NC(=O)c1cc(c[nH]1)[*:1]
Cc1noc(C)c1CCCNC(=O)Cn1ncc2ccccc2c1=O Cc1noc(C)c1C[*:1] O=C(Cn1ncc2ccccc2c1=O)NCC[*:1]
Cc1noc(C)c1CCCNC(=O)Cn1ncc2ccccc2c1=O Cc1noc(C)c1[*:1] O=C(Cn1ncc2ccccc2c1=O)NCCC[*:1]
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1C Cc1ccccc1[*:1] Cc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCCCC1
O=C(Cc1c(F)cccc1F)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 C1C[C@H](CO1)[*:1] O=C(Cc1c(F)cccc1F)NC[C@@H](N1CCOCC1)[*:1]
O=C(Cc1c(F)cccc1F)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(Cc1c(F)cccc1F)NC[C@@H]([C@@H]1CCOC1)[*:1]
O=C(Cc1c(F)cccc1F)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 Fc1cccc(F)c1[*:1] O=C(C[*:1])NC[C@@H]([C@@H]1CCOC1)N1CCOCC1
C[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] C[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)[*:1]
C[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)c1ccco1 c1ccc(cc1)[*:1] C[C@@H](C[*:1])C(=O)N[C@H](CO)c1ccco1
Cc1cc(C)n2nc(C(=O)Nc3ccnn3C3CCCC3)nc2n1 C1CCC(C1)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Nc1ccnn1[*:1]
CCCN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N CCC[*:1] C[NH+](C)CCN(C(=O)c1cc(F)cc(c1N)[N+](=O)[O-])[*:1]
CCCN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N O=[N+]([O-])[*:1] CCCN(CC[NH+](C)C)C(=O)c1cc(F)cc(c1N)[*:1]
CC[C@H](CCO)CNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 OCC[*:1] CC[C@H](CNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)[*:1]
CC[C@H](CCO)CNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 CC[C@H](CCO)[*:1] CN1C(=O)C[C@@H](NC(=O)NC[*:1])[C@H]1c1ccc(Cl)cc1
CC[C@H](CCO)CNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](CCO)CNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1[*:1]
CC[C@H](CCO)CNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 CC[C@H](CCO)C[*:1] CN1C(=O)C[C@@H](NC(=O)N[*:1])[C@H]1c1ccc(Cl)cc1
CSc1ccccc1NC(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] CSc1ccccc1NC(=O)Nc1ccccc1[*:1]
O=C(CCc1ccsc1)NCc1nc2ccccc2[nH]1 c1cc(cs1)[*:1] O=C(CC[*:1])NCc1nc2ccccc2[nH]1
O=C(CCc1ccsc1)NCc1nc2ccccc2[nH]1 c1cc(cs1)C[*:1] O=C(C[*:1])NCc1nc2ccccc2[nH]1
O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1ccc(Cl)cc1 O=C(C[*:1])N1CCCC1 O=C(CSc1nc2ccccc2n1[*:1])Nc1ccc(Cl)cc1
O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1ccc(Cl)cc1 O=C(N1CCCC1)[*:1] O=C(CSc1nc2ccccc2n1C[*:1])Nc1ccc(Cl)cc1
O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)N[*:1]
O=C(NCc1ccccc1-n1cccn1)N(Cc1ccco1)Cc1ccco1 c1cnn(c1)[*:1] O=C(NCc1ccccc1[*:1])N(Cc1ccco1)Cc1ccco1
O=C(NCc1ccccc1-n1cccn1)N(Cc1ccco1)Cc1ccco1 c1coc(c1)[*:1] O=C(NCc1ccccc1-n1cccn1)N(Cc1ccco1)C[*:1]
O=C(NCc1ccccc1-n1cccn1)N(Cc1ccco1)Cc1ccco1 c1coc(c1)C[*:1] O=C(NCc1ccccc1-n1cccn1)N(Cc1ccco1)[*:1]
CCOc1ccc2[nH]c([C@@H]([NH3+])CCOC)nc2n1 COCC[*:1] CCOc1ccc2[nH]c(nc2n1)[C@@H]([NH3+])[*:1]
CCOc1ccc2[nH]c([C@@H]([NH3+])CCOC)nc2n1 COC[*:1] CCOc1ccc2[nH]c(nc2n1)[C@@H]([NH3+])C[*:1]
CCOc1ccc2[nH]c([C@@H]([NH3+])CCOC)nc2n1 CCO[*:1] COCC[C@H]([NH3+])c1nc2nc(ccc2[nH]1)[*:1]
C=CCNC(=S)Nc1cc(Cl)c(OC)cc1OC C=CC[*:1] COc1cc(OC)c(cc1Cl)NC(=S)N[*:1]
CCOC(=O)[C@@H](F)Sc1ccc(F)cc1N CCOC(=O)[*:1] Nc1cc(F)ccc1S[C@H](F)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)C1 CC(=O)N[*:1] C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](C1)C[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)C1 CC(=O)NC[*:1] C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)[C@@H](C)O[*:1]
CCc1ccccc1NC(=O)COc1cccc(N2CCCC2=O)c1 CCc1ccccc1[*:1] O=C(COc1cccc(c1)N1CCCC1=O)N[*:1]
CCc1ccccc1NC(=O)COc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] CCc1ccccc1NC(=O)COc1cccc(c1)[*:1]
Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1[*:1]
Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1[*:1]
CNC(=O)C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2cnco2)cc1 CNC(=O)C[*:1] O=S(=O)(c1ccc(cc1)-c1cnco1)N1CCOC[C@@H]1[*:1]
CNC(=O)C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2cnco2)cc1 CNC(=O)[*:1] O=S(=O)(c1ccc(cc1)-c1cnco1)N1CCOC[C@@H]1C[*:1]
CNC(=O)C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2cnco2)cc1 c1ncc(o1)[*:1] CNC(=O)C[C@H]1COCCN1S(=O)(=O)c1ccc(cc1)[*:1]
CC1(C)[C@H]2OCC[C@@H]2[C@@H]1OC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 C1CC1c1noc(n1)[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@@H]1OC(=O)c1ccc(cc1)[*:1]
CC1(C)[C@H]2OCC[C@@H]2[C@@H]1OC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 C1CC1[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@@H]1OC(=O)c1ccc(cc1)-c1nc(no1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)Cc2cccc(O)c2)C1 COC(=O)[*:1] O=C(Cc1cccc(O)c1)N1CC[C@@](F)(C1)[*:1]
COc1ccc(CCNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1S(N)(=O)=O C1CC1[*:1] COc1ccc(cc1S(N)(=O)=O)CCNC(=O)[C@@H]1C[C@H]1[*:1]
COc1ccc(CCNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])CCNC(=O)[C@@H]1C[C@@H]1C1CC1
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(O)c2)cc1Cl Oc1cccc(c1)[*:1] COc1ccc(cc1Cl)NC(=O)C(C#N)=C[*:1]
Cc1ccccc1OCCCCSc1n[nH]c(N)n1 Nc1nc(n[nH]1)[*:1] Cc1ccccc1OCCCCS[*:1]
O=C(C1=c2ccccc2=[NH+]C1)[C@@H](S[C@@H]1NN=NN1C1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C1C[NH+]=c2ccccc2=1)[C@@H](S[C@@H]1NN=NN1C1CCCC1)[*:1]
O=C(C1=c2ccccc2=[NH+]C1)[C@@H](S[C@@H]1NN=NN1C1CCCC1)c1ccccc1 C1CCC(C1)[*:1] O=C(C1C[NH+]=c2ccccc2=1)[C@@H](S[C@@H]1NN=NN1[*:1])c1ccccc1
CCc1nc([C@H]2CCCN(C(=O)NC3CC3)C2)no1 C1CC1[*:1] CCc1nc(no1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1noc([C@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@H](C)N1CC[NH+](CC=C[*:1])CC1
Cc1noc([C@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 Cc1noc(n1)[*:1] C[C@H](N1CC[NH+](C/C=C/c2ccccc2)CC1)[*:1]
CCC[C@H]1C(=O)NCCN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] CCC[C@H]1C(=O)NCCN1Cc1cn(C[*:1])nc1-c1cccnc1
CCC[C@H]1C(=O)NCCN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] CCC[C@H]1C(=O)NCCN1Cc1cn(Cc2ccccc2)nc1[*:1]
CCC[C@H]1C(=O)NCCN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 c1ccc(cc1)C[*:1] CCC[C@H]1C(=O)NCCN1Cc1cn(nc1-c1cccnc1)[*:1]
CCC[C@H]1C(=O)NCCN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 CCC[*:1] O=C1NCCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)[C@H]1[*:1]
COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)ccc1O COc1cc(ccc1O)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1ccc(C)cc1C)[*:1]
COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)ccc1O Cc1ccc(c(C)c1)[*:1] COc1cc(ccc1O)[C@H]1NC(=S)NC(C)=C1C(=O)N[*:1]
CCC(CC)c1nnc(NC(=O)N2CCC(C(=O)N(CC)CC)CC2)s1 CCC(CC)[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)Nc1nnc(s1)[*:1]
CCC(CC)c1nnc(NC(=O)N2CCC(C(=O)N(CC)CC)CC2)s1 CCN(CC)C(=O)[*:1] CCC(CC)c1nnc(NC(=O)N2CCC(CC2)[*:1])s1
COC(=O)c1sccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 COC(=O)c1sccc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)N1CCCCCC1
COC(=O)c1sccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 COC(=O)[*:1] O=C(Nc1ccsc1[*:1])[C@H]1CCCN(C1)S(=O)(=O)N1CCCCCC1
COc1cc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)ccc1C COc1cc(ccc1C)[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)[*:1]
CCOc1cc(C#N)ccc1OCC(=O)Nc1c(Cl)cccc1C(F)(F)F FC(F)(F)[*:1] CCOc1cc(C#N)ccc1OCC(=O)Nc1c(Cl)cccc1[*:1]
CCOc1cc(C#N)ccc1OCC(=O)Nc1c(Cl)cccc1C(F)(F)F CCO[*:1] N#Cc1ccc(OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c(c1)[*:1]
COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccco4)nc3C2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)c2cnc(nc2C1)NC(=O)[*:1]
COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccco4)nc3C2)cc1 O=C(N[*:1])c1ccco1 COc1ccc(cc1)[C@@H]1CC(=O)c2cnc(nc2C1)[*:1]
COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccco4)nc3C2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ncc2C(=O)C[C@H](Cc2n1)[*:1])c1ccco1
COCCn1cc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C)cn1 COCCn1cc(cn1)[*:1] Cn1c(nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)[*:1]
COCCn1cc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C)cn1 c1ccc(cc1)[*:1] COCCn1cc(cn1)-c1nc2c(c(=O)[nH]c(=O)n2C[*:1])n1C
COCCn1cc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C)cn1 COCC[*:1] Cn1c(nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)-c1cnn(c1)[*:1]
COCCn1cc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C)cn1 c1ccc(cc1)C[*:1] COCCn1cc(cn1)-c1nc2c(c(=O)[nH]c(=O)n2[*:1])n1C
COCCn1cc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C)cn1 COC[*:1] Cn1c(nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)-c1cnn(c1)C[*:1]
CCC[NH2+][C@@H]1[C@@H](CN2CCSC[C@@H]2C)CCC1(C)C CCC[*:1] C[C@H]1CSCCN1C[C@H]1CCC(C)(C)[C@@H]1[NH2+][*:1]
Cc1nn(-c2ccccn2)c2c1C(=O)[C@@H](Br)C(C)(C)C2 c1ccc(nc1)[*:1] Cc1nn(c2CC(C)(C)[C@H](Br)C(=O)c12)[*:1]
C[C@H](NC(=O)NCCOCC(F)(F)F)c1ccc(Cl)s1 FC(F)(F)[*:1] C[C@H](NC(=O)NCCOC[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NCCOCC(F)(F)F)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)NCCOCC(F)(F)F)[*:1]
C[C@H](NC(=O)NCCOCC(F)(F)F)c1ccc(Cl)s1 FC(F)(F)C[*:1] C[C@H](NC(=O)NCCO[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NCCOCC(F)(F)F)c1ccc(Cl)s1 FC(F)(F)CO[*:1] C[C@H](NC(=O)NCC[*:1])c1ccc(Cl)s1
CCOCCO[C@@H](C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 CCOCC[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)c1ccc(C#N)cc1F
CCOCCO[C@@H](C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 CCOCCO[*:1] C[C@@H](C(=O)N1CCN(CC1)c1ccc(C#N)cc1F)[*:1]
CCOCCO[C@@H](C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 CCO[*:1] C[C@H](OCC[*:1])C(=O)N1CCN(CC1)c1ccc(C#N)cc1F
CCOCCO[C@@H](C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 CCOC[*:1] C[C@H](OC[*:1])C(=O)N1CCN(CC1)c1ccc(C#N)cc1F
CC(=O)NCC(=O)NCCc1cccc(F)c1 CC(=O)N[*:1] O=C(C[*:1])NCCc1cccc(F)c1
CC(=O)NCC(=O)NCCc1cccc(F)c1 CC(=O)NC[*:1] O=C(NCCc1cccc(F)c1)[*:1]
CCc1ccc([C@@H]2[C@H](c3ccccc3)NCN2Cc2[nH]cc[nH+]2)nc1 c1ccc(cc1)[*:1] CCc1ccc(nc1)[C@@H]1[C@H](NCN1Cc1[nH]cc[nH+]1)[*:1]
CCc1ccc([C@@H]2[C@H](c3ccccc3)NCN2Cc2[nH]cc[nH+]2)nc1 CCc1ccc(nc1)[*:1] c1ccc(cc1)[C@@H]1NCN(Cc2[nH]cc[nH+]2)[C@@H]1[*:1]
Cc1ccc([C@H]2C[C@@H](C)CCN2c2cc(Cl)nc(N)n2)o1 Cc1ccc(o1)[*:1] C[C@H]1CCN(c2cc(Cl)nc(N)n2)[C@H](C1)[*:1]
CCc1ccc([C@@H](CO)NC(=O)Cc2cccs2)cc1 c1csc(c1)C[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)[*:1]
CCc1ccc([C@@H](CO)NC(=O)Cc2cccs2)cc1 c1csc(c1)[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)C[*:1]
C[NH2+]CC[C@H]1CCC(=O)N1Cc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] C[NH2+]CC[C@H]1CCC(=O)N1Cc1cccc(c1)[*:1]
C[NH2+]CC[C@H]1CCC(=O)N1Cc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] C[NH2+]CC[C@H]1CCC(=O)N1Cc1cccc(c1)O[*:1]
C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2c[nH]c(=O)c(Cl)c2)C2CC2)o1 C1CC1[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2c[nH]c(=O)c(Cl)c2)[*:1])o1
C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2c[nH]c(=O)c(Cl)c2)C2CC2)o1 O=c1[nH]cc(cc1Cl)[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)[*:1])C2CC2)o1
COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)N[C@@H](C)CO)cc3s2)cc1 COc1ccc(cc1)[*:1] C[C@@H](CO)NC(=O)c1ccc2nc(NS(=O)(=O)[*:1])sc2c1
COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)N[C@@H](C)CO)cc3s2)cc1 C[C@@H](CO)NC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1nc2ccc(cc2s1)[*:1]
CC1CC(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CC1CC(C1)NS(=O)(=O)c1ccc(Br)cc1[*:1]
CC1CC(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 CC1CC(C1)[*:1] O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[*:1]
COC[C@@H](NC(=O)C1(c2cccc(F)c2)CC1)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)C1(CC1)c1cccc(F)c1)[*:1]
COC[C@@H](NC(=O)C1(c2cccc(F)c2)CC1)C(N)=O COC[*:1] NC(=O)[C@H](NC(=O)C1(CC1)c1cccc(F)c1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3c(n2)-c2cccc4cccc-3c24)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)N[*:1]
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3c(n2)-c2cccc4cccc-3c24)cc1 NS(=O)(=O)[*:1] O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)Nc1ccc(cc1)[*:1]
CCCC(=O)Nc1cccc(NC2C[C@@H](C)O[C@H](C)C2)c1C CCC[*:1] Cc1c(cccc1NC1C[C@@H](C)O[C@H](C)C1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(NC2C[C@@H](C)O[C@H](C)C2)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC1C[C@@H](C)O[C@H](C)C1
O=C(CN1CCN(c2ncccn2)CC1)Nc1ccnn1C1CCCC1 C1CCC(C1)[*:1] O=C(CN1CCN(CC1)c1ncccn1)Nc1ccnn1[*:1]
O=C(CN1CCN(c2ncccn2)CC1)Nc1ccnn1C1CCCC1 c1cnc(nc1)[*:1] O=C(CN1CCN(CC1)[*:1])Nc1ccnn1C1CCCC1
COC(=O)Cc1nc(-c2cc(F)cc(Br)c2)no1 COC(=O)[*:1] Fc1cc(Br)cc(c1)-c1noc(C[*:1])n1
COC(=O)Cc1nc(-c2cc(F)cc(Br)c2)no1 COC(=O)C[*:1] Fc1cc(Br)cc(c1)-c1noc(n1)[*:1]
O=C([O-])/C=C/Nc1cc(Cl)ccc1Cl O=C([O-])[*:1] Clc1ccc(Cl)c(c1)NC=C[*:1]
Cc1ncccc1C(=O)N[C@H](C(N)=S)C(C)C CC(C)[*:1] Cc1ncccc1C(=O)N[C@H](C(N)=S)[*:1]
Cc1ncccc1C(=O)N[C@H](C(N)=S)C(C)C NC(=S)[*:1] Cc1ncccc1C(=O)N[C@H](C(C)C)[*:1]
CCCCn1c(SCc2cn3c(C)cccc3n2)n[nH]c1=O CCCC[*:1] Cc1cccc2nc(cn12)CSc1n[nH]c(=O)n1[*:1]
CCCCn1c(SCc2cn3c(C)cccc3n2)n[nH]c1=O CCC[*:1] Cc1cccc2nc(cn12)CSc1n[nH]c(=O)n1C[*:1]
CC(C)(C)[C@H](NC(=O)C[C@@H]1SC(N)=NC1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)[C@H](NC(=O)C[C@@H]1SC(N)=NC1=O)[*:1]
CC(C)(C)[C@H](NC(=O)C[C@@H]1SC(N)=NC1=O)c1ccc(F)cc1 CC(C)(C)[*:1] NC1=NC(=O)[C@H](CC(=O)N[C@H](c2ccc(F)cc2)[*:1])S1
O=C(NCc1cnn2cccnc12)[C@H](c1cccnc1)N1CCCC1 C1CCN(C1)[*:1] O=C(NCc1cnn2cccnc12)[C@H](c1cccnc1)[*:1]
O=C(NCc1cnn2cccnc12)[C@H](c1cccnc1)N1CCCC1 c1cncc(c1)[*:1] O=C(NCc1cnn2cccnc12)[C@H](N1CCCC1)[*:1]
O=Cc1c(-c2ccc(C(F)(F)F)cc2)noc1Cl FC(F)(F)[*:1] O=Cc1c(noc1Cl)-c1ccc(cc1)[*:1]
CCn1c(=O)c(=O)n(Cc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc21 O=C(N1CCOCC1)[*:1] CCn1c(=O)c(=O)n(Cc2ccc(cc2)[*:1])c2ccccc21
NC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c1 NC(=O)[*:1] c1cc(cc(c1)[*:1])C[NH2+]Cc1ccc2OCCCOc2c1
C[C@@H](Cc1ccsc1)N(C)C(=O)N[C@H]1CCS(=O)(=O)C1 c1cc(cs1)C[*:1] C[C@@H](N(C)C(=O)N[C@H]1CCS(=O)(=O)C1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)N[C@H]1CCS(=O)(=O)C1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N(C)C(=O)N[C@H]1CCS(=O)(=O)C1
Cc1ccccc1CC(=O)Nc1ccccc1OC[C@H]1CCCO1 Cc1ccccc1C[*:1] O=C(Nc1ccccc1OC[C@H]1CCCO1)[*:1]
Cc1ccccc1CC(=O)Nc1ccccc1OC[C@H]1CCCO1 C1CO[C@H](C1)CO[*:1] Cc1ccccc1CC(=O)Nc1ccccc1[*:1]
Cc1ccccc1CC(=O)Nc1ccccc1OC[C@H]1CCCO1 Cc1ccccc1[*:1] O=C(C[*:1])Nc1ccccc1OC[C@H]1CCCO1
Fc1ccccc1SCCN1CCOC[C@@H]1C1CC1 C1CC1[*:1] Fc1ccccc1SCCN1CCOC[C@H]1[*:1]
O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(F)cc1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)C[*:1]
O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 c1ccc(cc1)C[*:1] O=C(c1ccc(F)cc1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 Fc1ccc(cc1)[*:1] O=C([C@@H]1CCCN(C1)C(=O)[*:1])N1CCN(CC1)Cc1ccccc1
COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)c1 CN(C)S(=O)(=O)[*:1] COc1ccc(OC)c(c1)-c1csc(n1)NC(=O)c1cccc(c1)[*:1]
COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)c1 COc1ccc(OC)c(c1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc(cs1)[*:1]
C[C@@H](NC(=O)C1CCC1)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 C1CC(C1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N(C)Cc1nc(cs1)C(F)(F)F
C[C@@H](NC(=O)C1CCC1)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] C[C@@H](NC(=O)C1CCC1)C(=O)N(C)Cc1nc(cs1)[*:1]
C[C@@H](NC(=O)C1CCC1)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 O=C(N[*:1])C1CCC1 C[C@@H](C(=O)N(C)Cc1nc(cs1)C(F)(F)F)[*:1]
Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)CCc1ccsc1 c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])[C@@H](C#N)C(=O)CCc1ccsc1
Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)CCc1ccsc1 c1cc(cs1)C[*:1] Cn1c(nnc1[C@@H](C#N)C(=O)C[*:1])-c1ccccc1
Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)CCc1ccsc1 c1cc(cs1)[*:1] Cn1c(nnc1[C@@H](C#N)C(=O)CC[*:1])-c1ccccc1
Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)CCc1ccsc1 c1cc(cs1)CC[*:1] Cn1c(nnc1[C@@H](C#N)C(=O)[*:1])-c1ccccc1
COC(=O)c1sccc1C[NH+]1CCC(Oc2ccccc2)CC1 COC(=O)[*:1] c1ccc(cc1)OC1CC[NH+](CC1)Cc1ccsc1[*:1]
COC(=O)c1sccc1C[NH+]1CCC(Oc2ccccc2)CC1 c1ccc(cc1)O[*:1] COC(=O)c1sccc1C[NH+]1CCC(CC1)[*:1]
COC(=O)c1sccc1C[NH+]1CCC(Oc2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)c1sccc1C[NH+]1CCC(CC1)O[*:1]
CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccccc1Cl Clc1ccccc1[*:1] CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)[*:1]
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CCOc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)cc1 CCO[*:1] O=C1C[C@H](C2C(=O)C[C@H](CC=2N1)c1ccc(cc1)[*:1])c1cccc(Cl)c1
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)cc1 CCOc1ccc(cc1)[*:1] O=C1C[C@H](C2C(=O)C[C@H](CC=2N1)[*:1])c1cccc(Cl)c1
CNC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc(C)c1C CNC(=O)[*:1] Cc1sc(NC(=O)c2cc3ccccc3oc2=O)c(c1C)[*:1]
Cc1nc2nnc(-c3ccnc(Nc4cccc(C)c4C)n3)c(C)n2n1 Cc1cccc(c1C)[*:1] Cc1nc2nnc(-c3ccnc(n3)N[*:1])c(C)n2n1
COc1ccc(C(=O)NNC(=O)c2ccco2)cc1Br c1coc(c1)[*:1] COc1ccc(cc1Br)C(=O)NNC(=O)[*:1]
Cc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)c1oc(C=C[*:1])nc1C#N
Cc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 Clc1ccccc1C=C[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)c1oc(nc1C#N)[*:1]
Cc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 Cc1ccc(cc1)[*:1] N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(CC1)C(=O)[*:1]
C[C@@H](CCOc1ccccc1)C(=O)N1CCN(c2ccccc2O)CC1 c1ccc(cc1)O[*:1] C[C@@H](CC[*:1])C(=O)N1CCN(CC1)c1ccccc1O
C[C@@H](CCOc1ccccc1)C(=O)N1CCN(c2ccccc2O)CC1 c1ccc(cc1)[*:1] C[C@@H](CCO[*:1])C(=O)N1CCN(CC1)c1ccccc1O
C[C@@H](CCOc1ccccc1)C(=O)N1CCN(c2ccccc2O)CC1 c1ccc(cc1)OC[*:1] C[C@@H](C[*:1])C(=O)N1CCN(CC1)c1ccccc1O
C[C@@H](CCOc1ccccc1)C(=O)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] C[C@@H](CCOc1ccccc1)C(=O)N1CCN(CC1)[*:1]
C[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1C(=O)O[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1C)[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1C)c1ccccc1 c1coc(c1)[*:1] C[C@H](Sc1nnc(n1C)[*:1])c1ccccc1
Cc1nnc2n1CCC[C@@H]2NC(=O)NC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)NC1(CCC1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3nc4c(C)cccc4s3)CC2)cc1 CC(=O)N[*:1] Cc1cccc2sc(nc12)OC1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3nc4c(C)cccc4s3)CC2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1cccc2sc(nc12)OC1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3nc4c(C)cccc4s3)CC2)cc1 Cc1cccc2sc(nc12)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)O[*:1]
NC(=O)NC1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)NC1CCN(CC1)C(=O)c1ccccc1C[*:1]
NC(=O)NC1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 NC(=O)N[*:1] O=C(c1ccccc1Cc1ccccc1)N1CCC(CC1)[*:1]
NC(=O)NC1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] NC(=O)NC1CCN(CC1)C(=O)c1ccccc1[*:1]
Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 Cc1cc(Cl)ccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Br)cc1
Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1cccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)c1 COc1cccc(c1)[*:1] Cn1c(cnc1NC[*:1])-c1ccc2OCOc2c1
c1ccc(-c2nnc3ccc(NC4CCCC4)nn23)cc1 c1ccc(cc1)[*:1] c1cc2nnc(n2nc1NC1CCCC1)[*:1]
c1ccc(-c2nnc3ccc(NC4CCCC4)nn23)cc1 C1CCC(C1)[*:1] c1ccc(cc1)-c1nnc2ccc(nn12)N[*:1]
c1ccc(-c2nnc3ccc(NC4CCCC4)nn23)cc1 C1CCC(C1)N[*:1] c1ccc(cc1)-c1nnc2ccc(nn12)[*:1]
CCc1cc(CNC(=O)Cc2cccc(OC(F)F)c2)on1 CCc1cc(on1)[*:1] O=C(Cc1cccc(c1)OC(F)F)NC[*:1]
CCc1cc(CNC(=O)Cc2cccc(OC(F)F)c2)on1 FC(F)O[*:1] CCc1cc(CNC(=O)Cc2cccc(c2)[*:1])on1
CCc1cc(CNC(=O)Cc2cccc(OC(F)F)c2)on1 FC(F)[*:1] CCc1cc(CNC(=O)Cc2cccc(c2)O[*:1])on1
CCC[NH2+][C@H](c1cc(Br)ccc1F)[C@H]1COCCO1 C1CO[C@H](CO1)[*:1] CCC[NH2+][C@H](c1cc(Br)ccc1F)[*:1]
CCC[NH2+][C@H](c1cc(Br)ccc1F)[C@H]1COCCO1 CCC[*:1] Fc1ccc(Br)cc1[C@@H]([NH2+][*:1])[C@H]1COCCO1
CCC[C@@H]1C[C@@H]1NC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CCC[*:1] CC(C)(C)C(=O)NC[C@H]1CCCN(C1)C(=O)N[C@H]1C[C@H]1[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)C(=O)N[*:1] CCC[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H](C1)C[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)N1CCC[C@H](CNC(=O)[*:1])C1
O=C1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CN1c1ccccc1Br O=[N+]([O-])[*:1] O=C1C[C@@H](CN1c1ccccc1Br)C(=O)N1CCc2ccc(cc21)[*:1]
O=C1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CN1c1ccccc1Br Brc1ccccc1[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCS[C@@H]2COCC[C@@H]21 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)N1CCS[C@@H]2COCC[C@@H]21)[*:1]
Cc1ccc(Br)cc1C(=O)N(CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] Cc1ccc(Br)cc1C(=O)N(CC1CC[NH2+]CC1)[*:1]
O=C(Nc1cnn(-c2ccccc2F)c1)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)-c1ccccc1F)N[C@@H](CO)C[*:1]
O=C(Nc1cnn(-c2ccccc2F)c1)N[C@@H](CO)Cc1ccccc1 Fc1ccccc1[*:1] O=C(Nc1cnn(c1)[*:1])N[C@@H](CO)Cc1ccccc1
O=C(Nc1cnn(-c2ccccc2F)c1)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1cnn(c1)-c1ccccc1F)N[C@@H](CO)[*:1]
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C O=[N+]([O-])[*:1] COc1cc(ccc1S(=O)(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C)[*:1]
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C Cc1ccc(o1)[*:1] COc1cc(ccc1S(=O)(=O)Nc1[nH]nc(c1C)[*:1])[N+](=O)[O-]
O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCC1 O=C(N1CCC1)[*:1] Clc1ccccc1-c1nc(cs1)C[*:1]
Cn1c(SCc2ccccc2F)nnc1-c1ccncc1 Fc1ccccc1[*:1] Cn1c(nnc1-c1ccncc1)SC[*:1]
Cn1c(SCc2ccccc2F)nnc1-c1ccncc1 c1cc(ccn1)[*:1] Cn1c(nnc1[*:1])SCc1ccccc1F
Cc1ccc(O[C@@H](C)CNC(=O)N2CCC(C(=O)NC(C)C)CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)O[C@@H](C)CNC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)N2CCC(C(=O)NC(C)C)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)C1CCN(CC1)C(=O)NC[C@H](C)O[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)N2CCC(C(=O)NC(C)C)CC2)cc1 Cc1ccc(cc1)O[*:1] CC(C)NC(=O)C1CCN(CC1)C(=O)NC[C@H](C)[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)N2CCC(C(=O)NC(C)C)CC2)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)O[C@@H](C)CNC(=O)N1CCC(CC1)[*:1]
COC(=O)C1(NCc2ccc(Br)c(F)c2)CCCC1 COC(=O)[*:1] Fc1cc(ccc1Br)CNC1(CCCC1)[*:1]
CC[NH2+][C@H](C=C(C)C)Cc1ccccc1 CC(C)=C[*:1] CC[NH2+][C@H](Cc1ccccc1)[*:1]
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C COC[*:1] Cc1cc(/C=C(/C#N)C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1C[*:1]
COCCn1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C COCC[*:1] Cc1cc(/C=C(/C#N)C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1[*:1]
N#Cc1c(-c2ccccc2)cc(-c2ccc(O)cc2)nc1N Oc1ccc(cc1)[*:1] N#Cc1c(cc(nc1N)[*:1])-c1ccccc1
N#Cc1c(-c2ccccc2)cc(-c2ccc(O)cc2)nc1N c1ccc(cc1)[*:1] N#Cc1c(cc(nc1N)-c1ccc(O)cc1)[*:1]
CS(=O)(=O)CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])C[*:1] CS(=O)(=O)CC(=O)N1CCO[C@@H](C1)[*:1]
CS(=O)(=O)CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 CS(=O)(=O)C[*:1] O=C([O-])C[C@H]1CN(CCO1)C(=O)[*:1]
CS(=O)(=O)CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])[*:1] CS(=O)(=O)CC(=O)N1CCO[C@H](C1)C[*:1]
CS(=O)(=O)CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 CS(=O)(=O)[*:1] O=C([O-])C[C@H]1CN(CCO1)C(=O)C[*:1]
C[NH+](CCn1cnnc1)Cc1ccc(SC(F)(F)F)cc1 c1nncn1[*:1] C[NH+](CC[*:1])Cc1ccc(cc1)SC(F)(F)F
C[NH+](CCn1cnnc1)Cc1ccc(SC(F)(F)F)cc1 c1nncn1C[*:1] C[NH+](Cc1ccc(cc1)SC(F)(F)F)C[*:1]
C[NH+](CCn1cnnc1)Cc1ccc(SC(F)(F)F)cc1 FC(F)(F)S[*:1] C[NH+](CCn1cnnc1)Cc1ccc(cc1)[*:1]
C[NH+](CCn1cnnc1)Cc1ccc(SC(F)(F)F)cc1 FC(F)(F)[*:1] C[NH+](CCn1cnnc1)Cc1ccc(cc1)S[*:1]
Cc1nc2ccccc2nc1S[C@H](C)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] Cc1nc2ccccc2nc1S[C@H](C)C(=O)N[*:1]
COC(=O)c1ccccc1CNc1cc(NC(=O)C(C)C)ccc1C COC(=O)[*:1] Cc1ccc(cc1NCc1ccccc1[*:1])NC(=O)C(C)C
COC(=O)c1ccccc1CNc1cc(NC(=O)C(C)C)ccc1C CC(C)C(=O)N[*:1] COC(=O)c1ccccc1CNc1cc(ccc1C)[*:1]
COC(=O)c1ccccc1CNc1cc(NC(=O)C(C)C)ccc1C CC(C)[*:1] COC(=O)c1ccccc1CNc1cc(ccc1C)NC(=O)[*:1]
Cc1c([C@@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2C)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)[NH2+][C@H]1c2ccccc2C[C@@H]1C
CCOC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccccc4F)nc3c2)C1 Fc1ccccc1[*:1] CCOC(=O)[C@@H]1CC(=O)N(C1)c1ccc2oc(nc2c1)[*:1]
CCOC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccccc4F)nc3c2)C1 CCOC(=O)[*:1] O=C1C[C@H](CN1c1ccc2oc(nc2c1)-c1ccccc1F)[*:1]
Cc1nc2c(s1)[C@H](N(C)C(=O)NCCn1cccc1)CCC2 c1ccn(c1)[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)NCC[*:1]
Cc1nc2c(s1)[C@H](N(C)C(=O)NCCn1cccc1)CCC2 c1ccn(c1)CC[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)N[*:1]
Cc1nc2c(s1)[C@H](N(C)C(=O)NCCn1cccc1)CCC2 c1ccn(c1)C[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)NC[*:1]
Cc1nn(C)c(C)c1OCC(=O)NC[C@H](O)c1ccccc1F Fc1ccccc1[*:1] Cc1nn(C)c(C)c1OCC(=O)NC[C@H](O)[*:1]
O=C1NCC(=O)N(Cc2cccc(O)c2)[C@@H]1C1CC1 C1CC1[*:1] O=C1NCC(=O)N(Cc2cccc(O)c2)[C@H]1[*:1]
CN(Cc1ccoc1)c1nc(-c2ccccn2)nc2c1cnn2C c1ccc(nc1)[*:1] CN(Cc1ccoc1)c1nc(nc2c1cnn2C)[*:1]
CN(Cc1ccoc1)c1nc(-c2ccccn2)nc2c1cnn2C c1cc(co1)[*:1] CN(C[*:1])c1nc(nc2c1cnn2C)-c1ccccn1
CN(Cc1ccoc1)c1nc(-c2ccccn2)nc2c1cnn2C CN(Cc1ccoc1)[*:1] Cn1ncc2c(nc(nc21)-c1ccccn1)[*:1]
CN(Cc1ccoc1)c1nc(-c2ccccn2)nc2c1cnn2C c1cc(co1)C[*:1] CN(c1nc(nc2c1cnn2C)-c1ccccn1)[*:1]
Cc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)N2CCOCC2)c1 O=C(N1CCOCC1)[*:1] Cc1ccccc1C(=O)NC(=S)Nc1cccc(c1)[*:1]
Cc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)N2CCOCC2)c1 Cc1ccccc1[*:1] O=C(c1cccc(c1)NC(=S)NC(=O)[*:1])N1CCOCC1
COC(=O)Cn1/c(=N\C(=O)Cc2cccc(C)c2)sc2cc3c(cc21)OCCO3 Cc1cccc(c1)C[*:1] COC(=O)Cn1/c(=N\C(=O)[*:1])sc2cc3OCCOc3cc21
COC(=O)Cn1/c(=N\C(=O)Cc2cccc(C)c2)sc2cc3c(cc21)OCCO3 COC(=O)[*:1] Cc1cccc(c1)CC(=O)/N=c1/sc2cc3OCCOc3cc2n1C[*:1]
COC(=O)Cn1/c(=N\C(=O)Cc2cccc(C)c2)sc2cc3c(cc21)OCCO3 COC(=O)C[*:1] Cc1cccc(c1)CC(=O)/N=c1/sc2cc3OCCOc3cc2n1[*:1]
COC(=O)Cn1/c(=N\C(=O)Cc2cccc(C)c2)sc2cc3c(cc21)OCCO3 Cc1cccc(c1)[*:1] COC(=O)Cn1/c(=N\C(=O)C[*:1])sc2cc3OCCOc3cc21
CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4cccc(C(C)=O)c4)CC3)sc2n1 CC(=O)[*:1] CCCc1cc(=O)n2nc(sc2n1)N1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4cccc(C(C)=O)c4)CC3)sc2n1 CC(=O)c1cccc(c1)[*:1] CCCc1cc(=O)n2nc(sc2n1)N1CCC(CC1)C(=O)N[*:1]
CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4cccc(C(C)=O)c4)CC3)sc2n1 CCC[*:1] CC(=O)c1cccc(c1)NC(=O)C1CCN(CC1)c1nn2c(=O)cc(nc2s1)[*:1]
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)c1 Cc1cc(C)cc(c1)[*:1] O=S(=O)(N[*:1])c1ccc2OCc3cnoc3-c2c1
C/C(=C/C(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(=CC(=O)NC[C@H](C)N1CC[NH+](C)CC1)[*:1]
COc1cccc(NC(=O)N2CCC(n3cnc4ccc(Cl)cc4c3=O)CC2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])N1CCC(CC1)n1cnc2ccc(Cl)cc2c1=O
CC(=O)c1ccc(N[C@H](C)c2nnc3ccccn23)c([N+](=O)[O-])c1 CC(=O)[*:1] C[C@@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])c1nnc2ccccn12
CC(=O)c1ccc(N[C@H](C)c2nnc3ccccn23)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(N[C@H](C)c2nnc3ccccn23)c(c1)[*:1]
CC(=O)NCC(=O)NCCC1=CCCCC1 CC(=O)N[*:1] O=C(C[*:1])NCCC1=CCCCC1
CC(=O)NCC(=O)NCCC1=CCCCC1 CC(=O)NC[*:1] O=C(NCCC1=CCCCC1)[*:1]
Cc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccccn2)c1 c1ccc(C[*:1])nc1 Cc1cccc(c1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1[*:1]
Cc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccccn2)c1 Cc1cccc(c1)[*:1] c1ccc(CN2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2[*:1])nc1
Cc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@H](N2CCOCC2)C1 C1CN(CCO1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCC[C@@H](C1)[*:1]
O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 c1cnc2cc(ccc2n1)[*:1] O=C(Nc1ccc(cc1)-c1ccco1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN(C1)C(=O)c1ccc2nccnc2c1
COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)CN1C[C@H](C)O[C@H](C)C1 COC(=O)[*:1] C[C@H]1CN(CC(=O)N2CC[C@H](O)C[C@@H]2[*:1])C[C@@H](C)O1
COc1ccccc1C[NH+]1CCN(Cc2sccc2OC)CC1 COc1ccsc1[*:1] COc1ccccc1C[NH+]1CCN(CC1)C[*:1]
CC(C)COc1cccc(CNC(=O)[C@@H]2CCO[C@@H]2C)c1 CC(C)CO[*:1] C[C@H]1OCC[C@H]1C(=O)NCc1cccc(c1)[*:1]
CC(C)COc1cccc(CNC(=O)[C@@H]2CCO[C@@H]2C)c1 CC(C)[*:1] C[C@H]1OCC[C@H]1C(=O)NCc1cccc(c1)OC[*:1]
CC(C)COc1cccc(CNC(=O)[C@@H]2CCO[C@@H]2C)c1 CC(C)C[*:1] C[C@H]1OCC[C@H]1C(=O)NCc1cccc(c1)O[*:1]
Nc1c(C(=O)NCCc2ccccc2)nnn1-c1cccc(Cl)c1 c1ccc(cc1)[*:1] Nc1c(nnn1-c1cccc(Cl)c1)C(=O)NCC[*:1]
Nc1c(C(=O)NCCc2ccccc2)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Nc1c(nnn1[*:1])C(=O)NCCc1ccccc1
Nc1c(C(=O)NCCc2ccccc2)nnn1-c1cccc(Cl)c1 c1ccc(cc1)CC[*:1] Nc1c(nnn1-c1cccc(Cl)c1)C(=O)N[*:1]
Nc1c(C(=O)NCCc2ccccc2)nnn1-c1cccc(Cl)c1 c1ccc(cc1)C[*:1] Nc1c(nnn1-c1cccc(Cl)c1)C(=O)NC[*:1]
CCN1CC(=O)Nc2cc(C(=O)N3CCC[C@@H]3c3ccc(C)o3)ccc21 Cc1ccc(o1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N1CCC[C@H]1[*:1]
O=C(CSc1ccncc1)NCc1ccncc1 c1cc(ccn1)[*:1] O=C(CSc1ccncc1)NC[*:1]
O=C(CSc1ccncc1)NCc1ccncc1 c1cc(ccn1)[*:1] O=C(CS[*:1])NCc1ccncc1
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccccc1F)CC(=O)N2 Fc1ccccc1[*:1] Cc1nn(-c2ncnc3[nH]cnc23)c2NC(=O)C[C@@H](c12)[*:1]
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccccc1F)CC(=O)N2 c1nc(c2nc[nH]c2n1)[*:1] Cc1nn(c2NC(=O)C[C@@H](c3ccccc3F)c12)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccc2nc([nH]c2c1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc2nc([nH]c2c1)-c1ccc(F)cc1)[*:1]
CC[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)N1CCC(CC1)C(N)=O)[*:1]
CC[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc(C)cc1 NC(=O)[*:1] CC[C@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(C)cc1
CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)[C@@H]3CCCO3)cc2c1 c1csc(c1)C[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)[C@@H]1CCCO1)[*:1]
CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)[C@@H]3CCCO3)cc2c1 c1csc(c1)[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)CN(C[*:1])C(=O)[C@@H]1CCCO1
CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)S/C1=N\c1ccc(I)cc1 c1ccc(cc1)C[*:1] CN1C(=O)[C@H](CC(=O)NC[*:1])S/C1=N\c1ccc(I)cc1
CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)S/C1=N\c1ccc(I)cc1 Ic1ccc(cc1)[*:1] CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)SC1=N[*:1]
CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)S/C1=N\c1ccc(I)cc1 c1ccc(cc1)[*:1] CN1C(=O)[C@H](CC(=O)NCC[*:1])S/C1=N\c1ccc(I)cc1
CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)S/C1=N\c1ccc(I)cc1 c1ccc(cc1)CC[*:1] CN1C(=O)[C@H](CC(=O)N[*:1])S/C1=N\c1ccc(I)cc1
Oc1cccc(C[NH2+]C[C@H]2C[C@@]23CCc2ccccc23)c1 Oc1cccc(c1)[*:1] c1ccc2c(c1)CC[C@@]21C[C@@H]1C[NH2+]C[*:1]
CC[C@@H](OC1CCCC1)C(=O)NCc1cc(=O)[nH]c2ccccc12 C1CCC(C1)O[*:1] CC[C@@H](C(=O)NCc1cc(=O)[nH]c2ccccc12)[*:1]
CC[C@@H](OC1CCCC1)C(=O)NCc1cc(=O)[nH]c2ccccc12 C1CCC(C1)[*:1] CC[C@@H](O[*:1])C(=O)NCc1cc(=O)[nH]c2ccccc12
CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)Nc4ccc(F)cc4)CC3=O)cc2)CC1 Fc1ccc(cc1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)Nc4ccc(F)cc4)CC3=O)cc2)CC1 CC1CCN(CC1)S(=O)(=O)[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)Nc4ccc(F)cc4)CC3=O)cc2)CC1 O=C(Nc1ccc(F)cc1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1C[C@@H](CC1=O)[*:1]
C[C@@H](NC(=O)CCC(C)(C)C)c1cccc(N2CCOC2=O)c1 CC(C)(C)[*:1] C[C@@H](NC(=O)CC[*:1])c1cccc(c1)N1CCOC1=O
C[C@@H](NC(=O)CCC(C)(C)C)c1cccc(N2CCOC2=O)c1 CC(C)(C)C[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(c1)N1CCOC1=O
C[C@@H](NC(=O)CCC(C)(C)C)c1cccc(N2CCOC2=O)c1 CC(C)(C)CC[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)N1CCOC1=O
C[C@@H](NC(=O)CCC(C)(C)C)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C[C@@H](NC(=O)CCC(C)(C)C)c1cccc(c1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)CCN1CCCC1=O O=C1CCCN1[*:1] CC[C@@H](C)C[C@H](C)NC(=O)CC[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)CCN1CCCC1=O CC[C@@H](C)C[*:1] C[C@H](NC(=O)CCN1CCCC1=O)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)CCN1CCCC1=O CC[C@@H](C)[*:1] C[C@@H](C[*:1])NC(=O)CCN1CCCC1=O
CCO[C@@H](C)C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 CCO[*:1] C[C@@H](C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
CCO[C@@H](C)C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 CCO[C@@H](C)[*:1] O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
CCCn1ccc2ccc(NC(=O)NCCS(=O)(=O)CC)cc21 CCC[*:1] CCS(=O)(=O)CCNC(=O)Nc1ccc2ccn(c2c1)[*:1]
CCCn1ccc2ccc(NC(=O)NCCS(=O)(=O)CC)cc21 CCS(=O)(=O)C[*:1] CCCn1ccc2ccc(cc21)NC(=O)NC[*:1]
CCCn1ccc2ccc(NC(=O)NCCS(=O)(=O)CC)cc21 CCS(=O)(=O)[*:1] CCCn1ccc2ccc(cc21)NC(=O)NCC[*:1]
CCCn1ccc2ccc(NC(=O)NCCS(=O)(=O)CC)cc21 CCS(=O)(=O)CC[*:1] CCCn1ccc2ccc(cc21)NC(=O)N[*:1]
CC1(C)C(C(=O)NC[C@H](CCO)c2ccccc2)C1(C)C OCC[*:1] CC1(C)C(C(=O)NC[C@H](c2ccccc2)[*:1])C1(C)C
CC1(C)C(C(=O)NC[C@H](CCO)c2ccccc2)C1(C)C CC1(C)C(C1(C)C)[*:1] O=C(NC[C@H](CCO)c1ccccc1)[*:1]
CC1(C)C(C(=O)NC[C@H](CCO)c2ccccc2)C1(C)C c1ccc(cc1)[*:1] CC1(C)C(C(=O)NC[C@H](CCO)[*:1])C1(C)C
CCNC(=O)N1CC[C@H]([NH2+][C@H](C)C(C)(C)c2ccccc2)C1 c1ccc(cc1)[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@H](C)C(C)(C)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(CC1)C(=O)C=C[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)(C)c1ccc(cc1)C(=O)OCC(=O)NC(=O)N[*:1]
CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(cc1)[*:1]
CSc1ncccc1C(=O)N1CCN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]21 CSc1ncccc1[*:1] O=C(N1CCN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CSc1ncccc1C(=O)N1CCN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]21 OCC[*:1] CSc1ncccc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
COC(=O)c1cc2c(C(=O)OC)cc1CSCc1cccc(n1)CSC2 COC(=O)[*:1] COC(=O)c1cc2CSCc3cccc(CSCc1cc2[*:1])n3
CC(=O)Nc1cccc(C(=O)NCCC2=CCCCC2)c1 CC(=O)N[*:1] O=C(NCCC1=CCCCC1)c1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)NCc2nnc3n2CCCCC3)s1 Cc1ccc(s1)[*:1] O=S(=O)(NCc1nnc2CCCCCn21)[*:1]
C[C@H](C(=O)Nc1ccc(Oc2ncccn2)cc1)S(C)(=O)=O c1cnc(nc1)O[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])S(C)(=O)=O
C[C@H](C(=O)Nc1ccc(Oc2ncccn2)cc1)S(C)(=O)=O c1cnc(nc1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)O[*:1])S(C)(=O)=O
C[C@H](C(=O)Nc1ccc(Oc2ncccn2)cc1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](C(=O)Nc1ccc(cc1)Oc1ncccn1)[*:1]
C[C@@H](CNC(=O)Cc1cccs1)N1CCc2ccccc21 c1csc(c1)[*:1] C[C@@H](CNC(=O)C[*:1])N1CCc2ccccc21
C[C@@H](CNC(=O)Cc1cccs1)N1CCc2ccccc21 c1csc(c1)C[*:1] C[C@@H](CNC(=O)[*:1])N1CCc2ccccc21
Cc1ccccc1-n1cnnc1SCC(=O)C12CC3CC(CC(C3)C1)C2 Cc1ccccc1[*:1] O=C(CSc1nncn1[*:1])C12CC3CC(CC(C3)C1)C2
N#Cc1cccc(NCCCC(=O)[O-])c1 O=C([O-])C[*:1] N#Cc1cccc(c1)NCC[*:1]
N#Cc1cccc(NCCCC(=O)[O-])c1 O=C([O-])[*:1] N#Cc1cccc(c1)NCCC[*:1]
N#Cc1cccc(NCCCC(=O)[O-])c1 O=C([O-])CC[*:1] N#Cc1cccc(c1)NC[*:1]
Cc1ccc(CN2C[C@@H](C(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2C[C@@H](C(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1
Cc1ccc(CN2C[C@@H](C(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)CC2=O)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)Cc1noc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)n1 C1CCC(C1)[*:1] CC(C)Cc1noc(CN2C(=O)C(=O)N(C2=O)[*:1])n1
CC(C)Cc1noc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)n1 CC(C)[*:1] O=C1C(=O)N(C(=O)N1Cc1nc(C[*:1])no1)C1CCCC1
CC(C)Cc1noc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)n1 CC(C)C[*:1] O=C1C(=O)N(C(=O)N1Cc1nc(no1)[*:1])C1CCCC1
CS(=O)(=O)C[C@@H](NC(=O)N[C@H]1CCCSC1)c1ccccc1 CS(=O)(=O)[*:1] O=C(N[C@H]1CCCSC1)N[C@H](C[*:1])c1ccccc1
CS(=O)(=O)C[C@@H](NC(=O)N[C@H]1CCCSC1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)C[C@@H](NC(=O)N[C@H]1CCCSC1)[*:1]
CS(=O)(=O)C[C@@H](NC(=O)N[C@H]1CCCSC1)c1ccccc1 C1CSC[C@H](C1)[*:1] CS(=O)(=O)C[C@@H](NC(=O)N[*:1])c1ccccc1
CS(=O)(=O)C[C@@H](NC(=O)N[C@H]1CCCSC1)c1ccccc1 CS(=O)(=O)C[*:1] O=C(N[C@H]1CCCSC1)N[C@@H](c1ccccc1)[*:1]
O=S(=O)(c1ccccc1)N1CCCN(c2nc(C3CC3)no2)CC1 C1CC1c1noc(n1)[*:1] O=S(=O)(c1ccccc1)N1CCCN(CC1)[*:1]
O=S(=O)(c1ccccc1)N1CCCN(c2nc(C3CC3)no2)CC1 C1CC1[*:1] O=S(=O)(c1ccccc1)N1CCCN(CC1)c1nc(no1)[*:1]
O=S(=O)(c1ccccc1)N1CCCN(c2nc(C3CC3)no2)CC1 c1ccc(cc1)[*:1] O=S(=O)(N1CCCN(CC1)c1nc(no1)C1CC1)[*:1]
NCc1c(C(F)(F)F)cncc1C(F)(F)F FC(F)(F)[*:1] NCc1c(cncc1[*:1])C(F)(F)F
O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCc2ccccc21 O=[N+]([O-])c1cccc(c1)[*:1] O=C(c1ccc(cc1)NS(=O)(=O)[*:1])N1CCc2ccccc21
O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCc2ccccc21 O=[N+]([O-])[*:1] O=C(c1ccc(cc1)NS(=O)(=O)c1cccc(c1)[*:1])N1CCc2ccccc21
CC(C)Cc1ccc([C@H](O)Cc2cccc(F)c2F)cc1 CC(C)[*:1] O[C@H](Cc1cccc(F)c1F)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@H](O)Cc2cccc(F)c2F)cc1 CC(C)C[*:1] O[C@H](Cc1cccc(F)c1F)c1ccc(cc1)[*:1]
COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(nn21)[*:1]
COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21 COc1ccc(Cl)cc1[*:1] O=C(C[C@@H]1C(=O)Nc2nc(nn21)-c1ccccc1)N[*:1]
CS(=O)(=O)Cc1nc(CN2CCN(C(=O)C3CCCC3)CC2)cs1 C1CCC(C1)[*:1] CS(=O)(=O)Cc1nc(cs1)CN1CCN(CC1)C(=O)[*:1]
CS(=O)(=O)Cc1nc(CN2CCN(C(=O)C3CCCC3)CC2)cs1 CS(=O)(=O)[*:1] O=C(C1CCCC1)N1CCN(CC1)Cc1csc(C[*:1])n1
CS(=O)(=O)Cc1nc(CN2CCN(C(=O)C3CCCC3)CC2)cs1 CS(=O)(=O)C[*:1] O=C(C1CCCC1)N1CCN(CC1)Cc1csc(n1)[*:1]
CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 c1cc2OCOc2cc1C[*:1] CC(C)(C)c1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(c2ccccc21)[*:1]
CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C1N(Cc2ccc3OCOc3c2)c2ccccc2[C@@]1(O)CC(=O)[*:1]
CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 CC(C)(C)[*:1] O=C(C[C@@]1(O)C(=O)N(Cc2ccc3OCOc3c2)c2ccccc21)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 c1cc2OCOc2cc1[*:1] CC(C)(C)c1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(C[*:1])c2ccccc21
O=c1[nH]cc(-c2nc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)c(=O)[nH]1 O=c1[nH]cc(c(=O)[nH]1)[*:1] O=S1(=O)CC[C@H](C1)n1nc(nc1[*:1])-c1ccccc1
O=c1[nH]cc(-c2nc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)c(=O)[nH]1 c1ccc(cc1)[*:1] O=c1[nH]cc(-c2nc(nn2[C@@H]2CCS(=O)(=O)C2)[*:1])c(=O)[nH]1
O=C(Cc1ccon1)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 c1cc(C[*:1])no1 O=C(Oc1ccc(cc1)-c1noc(n1)[C@H]1CCCO1)[*:1]
O=C(Cc1ccon1)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 c1cc(no1)[*:1] O=C(C[*:1])Oc1ccc(cc1)-c1noc(n1)[C@H]1CCCO1
COC(=O)c1sccc1NC(=O)CCC1CCCC1 C1CCC(C1)C[*:1] COC(=O)c1sccc1NC(=O)C[*:1]
COC(=O)c1sccc1NC(=O)CCC1CCCC1 C1CCC(C1)[*:1] COC(=O)c1sccc1NC(=O)CC[*:1]
COC(=O)c1sccc1NC(=O)CCC1CCCC1 COC(=O)[*:1] O=C(CCC1CCCC1)Nc1ccsc1[*:1]
Cc1cc(CN(C)C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)no1 Cc1cc(C[*:1])no1 CN(C(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1)[*:1]
Cc1cc(CN(C)C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1
[NH3+]C[C@]1([C@H](O)c2ccccn2)CCc2ccccc2C1 c1ccc(nc1)[*:1] [NH3+]C[C@@]1(CCc2ccccc2C1)[C@H](O)[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)CCNC(=O)c1ccco1 c1coc(c1)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)CCNC(=O)[*:1]
COC(=O)[C@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)c2ccccc21 c1ccc(cc1)[*:1] COC(=O)[C@H]1CCN(C(=O)C2(CC2)C[*:1])c2ccccc21
COC(=O)[C@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)c2ccccc21 COC(=O)[*:1] O=C(N1CC[C@@H](c2ccccc21)[*:1])C1(CC1)Cc1ccccc1
COC(=O)[C@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)c2ccccc21 c1ccc(cc1)C[*:1] COC(=O)[C@H]1CCN(C(=O)C2(CC2)[*:1])c2ccccc21
O=C(CN[C@H](C1CCCC1)C(F)(F)F)N1CCCCCCC1 C1CCC(C1)[*:1] O=C(CN[C@H](C(F)(F)F)[*:1])N1CCCCCCC1
O=C(CN[C@H](C1CCCC1)C(F)(F)F)N1CCCCCCC1 FC(F)(F)[*:1] O=C(CN[C@H](C1CCCC1)[*:1])N1CCCCCCC1
CCSC[C@@H](C)N(C)C(=O)c1nc(Cl)ccc1Cl CCS[*:1] C[C@H](C[*:1])N(C)C(=O)c1nc(Cl)ccc1Cl
CCSC[C@@H](C)N(C)C(=O)c1nc(Cl)ccc1Cl CCSC[*:1] C[C@@H](N(C)C(=O)c1nc(Cl)ccc1Cl)[*:1]
C[NH2+][C@@H](C)c1ccc(SCc2ccc(C(=O)[O-])cc2)cc1 O=C([O-])[*:1] C[NH2+][C@@H](C)c1ccc(cc1)SCc1ccc(cc1)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)NCc1ccc(S(C)(=O)=O)cc1 CC(C)C[*:1] CS(=O)(=O)c1ccc(cc1)CNC(=O)[C@@H](C[NH3+])[*:1]
CC(C)C[C@H](C[NH3+])C(=O)NCc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CC(C)C[C@H](C[NH3+])C(=O)NCc1ccc(cc1)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)NCc1ccc(S(C)(=O)=O)cc1 CC(C)[*:1] CS(=O)(=O)c1ccc(cc1)CNC(=O)[C@@H](C[NH3+])C[*:1]
COCc1nc(N2C[C@H]3CC=CC[C@H]3C2)c2cnn(C)c2n1 COC[*:1] Cn1ncc2c(nc(nc21)[*:1])N1C[C@H]2CC=CC[C@H]2C1
O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccnc1 O=C(N[*:1])c1cccnc1 O=C(Nc1ccc(cc1)[*:1])c1cc2ccccc2o1
O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1cc2ccccc2o1
O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccnc1 c1ccc2oc(cc2c1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1cccnc1
COc1ccc(-n2c(CNc3ccc(C)c(Cl)c3)n[nH]c2=S)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NCc1n[nH]c(=S)n1[*:1]
COc1ccc(-n2c(CNc3ccc(C)c(Cl)c3)n[nH]c2=S)cc1 Cc1ccc(cc1Cl)[*:1] COc1ccc(cc1)-n1c(CN[*:1])n[nH]c1=S
Cc1ccccc1[C@H]1C[C@H](c2ccc(F)cc2)Nc2nnnn21 Fc1ccc(cc1)[*:1] Cc1ccccc1[C@H]1C[C@H](Nc2nnnn21)[*:1]
Cc1ccccc1[C@H]1C[C@H](c2ccc(F)cc2)Nc2nnnn21 Cc1ccccc1[*:1] Fc1ccc(cc1)[C@H]1C[C@@H](n2nnnc2N1)[*:1]
O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccco1)N1CCN(CC1)[*:1])c1cccc(Cl)c1
O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NC[C@@H](c1ccco1)N1CCN(CC1)c1ccccc1)[*:1]
O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 c1coc(c1)[*:1] O=C(NC[C@@H](N1CCN(CC1)c1ccccc1)[*:1])c1cccc(Cl)c1
COC(=O)c1ccc(NC(=O)NCc2ccnc(C)n2)c(C)c1 Cc1nccc(n1)[*:1] COC(=O)c1ccc(NC(=O)NC[*:1])c(C)c1
COC(=O)c1ccc(NC(=O)NCc2ccnc(C)n2)c(C)c1 COC(=O)[*:1] Cc1nccc(CNC(=O)Nc2ccc(cc2C)[*:1])n1
CC[C@@H]1COCCN1C(=O)N[C@@H](c1ccccn1)c1ccccc1OC COc1ccccc1[*:1] CC[C@@H]1COCCN1C(=O)N[C@@H](c1ccccn1)[*:1]
CC[C@@H]1COCCN1C(=O)N[C@@H](c1ccccn1)c1ccccc1OC c1ccc(nc1)[*:1] CC[C@@H]1COCCN1C(=O)N[C@@H](c1ccccc1OC)[*:1]
N#Cc1ccccc1N1CCCN(C(=O)CSCC(F)(F)F)CC1 FC(F)(F)CS[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)C[*:1]
N#Cc1ccccc1N1CCCN(C(=O)CSCC(F)(F)F)CC1 FC(F)(F)[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)CSC[*:1]
N#Cc1ccccc1N1CCCN(C(=O)CSCC(F)(F)F)CC1 FC(F)(F)C[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)CS[*:1]
N#Cc1ccccc1N1CCCN(C(=O)CSCC(F)(F)F)CC1 FC(F)(F)CSC[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)[*:1]
N#Cc1ccccc1N1CCCN(C(=O)CSCC(F)(F)F)CC1 N#Cc1ccccc1[*:1] O=C(CSCC(F)(F)F)N1CCCN(CC1)[*:1]
COc1ccc(Cl)cc1C[S@@](=O)Cc1ncc(C(C)C)o1 CC(C)[*:1] COc1ccc(Cl)cc1C[S@@](=O)Cc1ncc(o1)[*:1]
CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCc2ccco2)c1 CC[C@H](C)[*:1] O=C(NCc1ccco1)C(=O)Nc1cccc(c1)O[*:1]
CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] CC[C@H](C)Oc1cccc(c1)NC(=O)C(=O)NC[*:1]
CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCc2ccco2)c1 CC[C@H](C)O[*:1] O=C(NCc1ccco1)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] CC[C@H](C)Oc1cccc(c1)NC(=O)C(=O)N[*:1]
CC[C@@H](C)[C@H](O)c1c[nH]nc1-c1ccccc1 CC[C@@H](C)[*:1] O[C@H](c1c[nH]nc1-c1ccccc1)[*:1]
CN1N=C(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)CCC1=O Fc1ccc(cc1)[*:1] CN1N=C(CCC1=O)C(=O)NCCc1coc(n1)[*:1]
N#CCOc1cccc(CC(=O)NCCc2nc3ccccc3[nH]2)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])NCCc1nc2ccccc2[nH]1
N#CCOc1cccc(CC(=O)NCCc2nc3ccccc3[nH]2)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])NCCc1nc2ccccc2[nH]1
CCCCCC[C@@]1(c2ccccn2)NC(=O)NC1=O CCCCC[*:1] O=C1NC(=O)[C@@](C[*:1])(N1)c1ccccn1
CCCCCC[C@@]1(c2ccccn2)NC(=O)NC1=O CCCC[*:1] O=C1NC(=O)[C@@](CC[*:1])(N1)c1ccccn1
CCCCCC[C@@]1(c2ccccn2)NC(=O)NC1=O c1ccc(nc1)[*:1] CCCCCC[C@]1(NC(=O)NC1=O)[*:1]
CCCCCC[C@@]1(c2ccccn2)NC(=O)NC1=O CCC[*:1] O=C1NC(=O)[C@@](CCC[*:1])(N1)c1ccccn1
CCCCCC[C@@]1(c2ccccn2)NC(=O)NC1=O CCCCCC[*:1] O=C1NC(=O)[C@](N1)(c1ccccn1)[*:1]
C#C[C@]1(OCOC)CCCCO1 COC[*:1] C#C[C@@]1(CCCCO1)O[*:1]
C#C[C@]1(OCOC)CCCCO1 COCO[*:1] C#C[C@@]1(CCCCO1)[*:1]
CCC[C@H]([NH2+]Cc1ccc(OC)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H]([NH2+]Cc1ccc(cc1)OC)[*:1]
CCC[C@H]([NH2+]Cc1ccc(OC)cc1)c1ccccc1 CCC[*:1] COc1ccc(cc1)C[NH2+][C@H](c1ccccc1)[*:1]
CCc1nc(C[NH+]2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)no1 CCc1nc(no1)[*:1] Cc1ccc(NC(=O)CN2CC[NH+](CC2)C[*:1])c(C)c1
CCc1nc(C[NH+]2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)no1 Cc1ccc(c(C)c1)[*:1] CCc1nc(C[NH+]2CCN(CC2)CC(=O)N[*:1])no1
COc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c(C)c1 c1ccc(cc1)[*:1] COc1ccc(C(=O)NNc2ccc(nn2)[*:1])c(C)c1
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C2CCCC2)C2CCCC2)cc1 C1CCC(C1)[*:1] Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)N(C1CCCC1)[*:1]
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C2CCCC2)C2CCCC2)cc1 Cc1ccccc1[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N(C1CCCC1)C1CCCC1
Cc1cc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1cc(ccc1[*:1])C(=O)N(C)[C@H]1CCC[C@H](C)C1
CSCC[C@H](C)NC(=O)NNC(=O)Cc1ccncc1 CSCC[C@H](C)[*:1] O=C(Cc1ccncc1)NNC(=O)N[*:1]
CSCC[C@H](C)NC(=O)NNC(=O)Cc1ccncc1 CSC[*:1] C[C@@H](C[*:1])NC(=O)NNC(=O)Cc1ccncc1
CSCC[C@H](C)NC(=O)NNC(=O)Cc1ccncc1 CSCC[*:1] C[C@H](NC(=O)NNC(=O)Cc1ccncc1)[*:1]
CSCC[C@H](C)NC(=O)NNC(=O)Cc1ccncc1 c1cc(ccn1)[*:1] CSCC[C@H](C)NC(=O)NNC(=O)C[*:1]
Fc1ccc(C2=Nc3nnnn3[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 Clc1ccc(cc1Cl)[*:1] Fc1ccc(cc1)C1C[C@@H](n2nnnc2N=1)[*:1]
Fc1ccc(C2=Nc3nnnn3[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 Fc1ccc(cc1)[*:1] Clc1ccc(cc1Cl)[C@@H]1CC(=Nc2nnnn21)[*:1]
C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1COC1 CC(C)(C)[*:1] C[C@@H](C[C@H]1CCCN1C(=O)O[*:1])[NH2+]C1COC1
CCN(C(=O)COc1ccc(S(N)(=O)=O)cc1)C1=CCCCC1 NS(=O)(=O)[*:1] CCN(C(=O)COc1ccc(cc1)[*:1])C1=CCCCC1
CCOc1cc2c(cc1/C=C/C(=O)NCC(C)(C)[NH+](C)C)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(/C=C/C(=O)NCC(C)(C)[NH+](C)C)cc2O1)[*:1]
O=C(c1ccc(Cl)cc1O)N1CCOC[C@H]1CCO OCC[*:1] O=C(c1ccc(Cl)cc1O)N1CCOC[C@@H]1[*:1]
CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)C1 CC(C)(C)[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)c1ccccc1-c1nc(no1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)C1 CC(C)(C)c1noc(n1)[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)C1 CC(=O)N[*:1] CC(C)(C)c1noc(n1)-c1ccccc1C(=O)N1CCC[C@@H](C1)[*:1]
CCCCCC[C@@]1(C)CC(=O)NC(=O)[C@H]1CC(C)C CC(C)[*:1] CCCCCC[C@@]1(C)CC(=O)NC(=O)[C@H]1C[*:1]
CCCCCC[C@@]1(C)CC(=O)NC(=O)[C@H]1CC(C)C CCCC[*:1] CC(C)C[C@@H]1C(=O)NC(=O)C[C@]1(C)CC[*:1]
CCCCCC[C@@]1(C)CC(=O)NC(=O)[C@H]1CC(C)C CC(C)C[*:1] CCCCCC[C@@]1(C)CC(=O)NC(=O)[C@@H]1[*:1]
CCCCCC[C@@]1(C)CC(=O)NC(=O)[C@H]1CC(C)C CCCCC[*:1] CC(C)C[C@@H]1C(=O)NC(=O)C[C@]1(C)C[*:1]
CCCCCC[C@@]1(C)CC(=O)NC(=O)[C@H]1CC(C)C CCCCCC[*:1] CC(C)C[C@@H]1C(=O)NC(=O)C[C@@]1(C)[*:1]
CCCCCC[C@@]1(C)CC(=O)NC(=O)[C@H]1CC(C)C CCC[*:1] CC(C)C[C@@H]1C(=O)NC(=O)C[C@]1(C)CCC[*:1]
Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 Cc1ccc(Cl)cc1[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(CC4)[*:1])[C@H]3C=C12
O=C1[C@H]2CCCN2C(=O)CCN1C1CCCC1 C1CCC(C1)[*:1] O=C1CCN(C(=O)[C@H]2CCCN12)[*:1]
Cc1ccc(S(=O)(=O)Nc2cnc(N(C)C)c(C(=O)[O-])c2)c(C)c1 CN(C)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1cnc(c(c1)C(=O)[O-])[*:1]
Cc1ccc(S(=O)(=O)Nc2cnc(N(C)C)c(C(=O)[O-])c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN(C)c1ncc(cc1C(=O)[O-])NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2cnc(N(C)C)c(C(=O)[O-])c2)c(C)c1 O=C([O-])[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1cnc(c(c1)[*:1])N(C)C
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2noc3c2COc2ccccc2-3)cc1 CCN(CC)S(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1noc2-c3ccccc3OCc12
O=C(CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1)Nc1cccc(F)c1 O=C(C[*:1])Nc1cccc(F)c1 O=C(CCC(=O)N1CCN(CC1)[*:1])c1ccc2CCCCc2c1
O=C(CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1)Nc1cccc(F)c1 c1cc2CCCCc2cc1[*:1] O=C(CN1CCN(CC1)C(=O)CCC(=O)[*:1])Nc1cccc(F)c1
O=C(CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CN1CCN(CC1)C(=O)CCC(=O)c1ccc2CCCCc2c1)N[*:1]
O=C(CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1)Nc1cccc(F)c1 O=C(Nc1cccc(F)c1)[*:1] O=C(CCC(=O)N1CCN(CC1)C[*:1])c1ccc2CCCCc2c1
O=C([O-])/C=C/C(=O)Nc1ccc(Cl)c(NC(=O)/C=C/C(=O)[O-])c1 O=C([O-])[*:1] O=C([O-])/C=C/C(=O)Nc1ccc(Cl)c(c1)NC(=O)C=C[*:1]
O=C([O-])/C=C/C(=O)Nc1ccc(Cl)c(NC(=O)/C=C/C(=O)[O-])c1 O=C([O-])[*:1] O=C([O-])/C=C/C(=O)Nc1cc(ccc1Cl)NC(=O)C=C[*:1]
O=C([O-])/C=C/C(=O)Nc1ccc(Cl)c(NC(=O)/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] O=C([O-])/C=C/C(=O)Nc1cc(ccc1Cl)NC(=O)[*:1]
O=C([O-])/C=C/C(=O)Nc1ccc(Cl)c(NC(=O)/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] O=C([O-])/C=C/C(=O)Nc1ccc(Cl)c(c1)NC(=O)[*:1]
Cn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccco1 Fc1ccc(c(Cl)c1)[*:1] Cn1c(nnc1-c1ccco1)SCC(=O)N[*:1]
Cn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccco1 c1coc(c1)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccc(F)cc1Cl
CCC[C@@H]1CN(C(=O)c2ccc(F)cc2Cl)CCO1 CCC[*:1] O=C(c1ccc(F)cc1Cl)N1CCO[C@@H](C1)[*:1]
Cc1c(F)cccc1-c1ccc(CN[C@@H](CO)c2ccco2)o1 c1coc(c1)[*:1] Cc1c(F)cccc1-c1ccc(CN[C@@H](CO)[*:1])o1
C[C@@H](O)[C@@H](C)SCc1ccc2c(c1)OCCO2 C[C@@H](O)[*:1] C[C@@H](SCc1ccc2OCCOc2c1)[*:1]
COC(=O)C1=C(C)N=C(C)/C(=C(/[O-])OC)[C@H]1c1ccco1 COC(=O)[*:1] CO/C([O-])=C1\C(C)=NC(C)=C([C@@H]1c1ccco1)[*:1]
COC(=O)C1=C(C)N=C(C)/C(=C(/[O-])OC)[C@H]1c1ccco1 c1coc(c1)[*:1] COC(=O)C1=C(C)N=C(C)/C(=C(/[O-])OC)[C@@H]1[*:1]
CCn1c(=O)c(C(=O)NC(C)C)nc2cc(C)c(C)cc21 CC(C)[*:1] CCn1c(=O)c(nc2cc(C)c(C)cc21)C(=O)N[*:1]
CCn1c(=O)c(C(=O)NC(C)C)nc2cc(C)c(C)cc21 CC(C)NC(=O)[*:1] CCn1c(=O)c(nc2cc(C)c(C)cc21)[*:1]
CCNC(=O)NC(=O)[C@H](C)Nc1ccc(CC[NH+]2CCSCC2)cc1 CCNC(=O)NC(=O)[*:1] C[C@H](Nc1ccc(cc1)CC[NH+]1CCSCC1)[*:1]
CCOC(=O)[C@@H](C)c1nc(-c2ccccc2OC)no1 CCOC(=O)[*:1] COc1ccccc1-c1noc(n1)[C@H](C)[*:1]
C[C@H](Cc1cccs1)[NH2+]C[C@@H]1Cc2ccccc2S1 c1csc(c1)[*:1] C[C@H](C[*:1])[NH2+]C[C@@H]1Cc2ccccc2S1
C[C@H](Cc1cccs1)[NH2+]C[C@@H]1Cc2ccccc2S1 c1csc(c1)C[*:1] C[C@H]([NH2+]C[C@@H]1Cc2ccccc2S1)[*:1]
C[C@@H](CNc1ccncc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 O=[N+]([O-])[*:1] C[C@@H](CNc1ccncc1[*:1])N1CCN(CC1)c1ccccc1
C[C@@H](CNc1ccncc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](CNc1ccncc1[N+](=O)[O-])N1CCN(CC1)[*:1]
Cc1ccnc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1 Cc1ccnc(n1)[*:1] C[C@H]1CN(CCN1[*:1])C(=O)OC(C)(C)C
Cc1ccnc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1 CC(C)(C)[*:1] Cc1ccnc(n1)N1CCN(C[C@@H]1C)C(=O)O[*:1]
Cc1nc2c(cc(OCC(=O)N[C@@H](CCO)c3ccccc3)c3ccsc32)s1 OCC[*:1] Cc1nc2c(cc(OCC(=O)N[C@@H](c3ccccc3)[*:1])c3ccsc32)s1
Cc1nc2c(cc(OCC(=O)N[C@@H](CCO)c3ccccc3)c3ccsc32)s1 c1ccc(cc1)[*:1] Cc1nc2c(cc(OCC(=O)N[C@@H](CCO)[*:1])c3ccsc32)s1
Cn1ncnc1CCNC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 Cn1ncnc1[*:1] CC1(C)Cc2cc(sc2-c2ccccc21)C(=O)NCC[*:1]
Cn1ncnc1CCNC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 Cn1ncnc1CC[*:1] CC1(C)Cc2cc(sc2-c2ccccc21)C(=O)N[*:1]
Cn1ncnc1CCNC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 Cn1ncnc1C[*:1] CC1(C)Cc2cc(sc2-c2ccccc21)C(=O)NC[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)OC[C@@H](C#N)Cc1cccs1 Cc1noc(C)c1[*:1] C[C@@H](C(=O)OC[C@@H](C#N)Cc1cccs1)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)OC[C@@H](C#N)Cc1cccs1 c1csc(c1)[*:1] Cc1noc(C)c1[C@@H](C)C(=O)OC[C@@H](C#N)C[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)OC[C@@H](C#N)Cc1cccs1 c1csc(c1)C[*:1] Cc1noc(C)c1[C@@H](C)C(=O)OC[C@@H](C#N)[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)COc3ccc(C(N)=O)cc3)CC2)c1 NC(=O)c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)CO[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)COc3ccc(C(N)=O)cc3)CC2)c1 Cc1cc(C)cc(c1)[*:1] NC(=O)c1ccc(cc1)OCC(=O)N1CC=C(CC1)[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)COc3ccc(C(N)=O)cc3)CC2)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)COc1ccc(cc1)[*:1]
CC(C)c1cccc(S(=O)(=O)NC[C@](C)(O)c2ccco2)c1 c1coc(c1)[*:1] CC(C)c1cccc(c1)S(=O)(=O)NC[C@](C)(O)[*:1]
CC(C)c1cccc(S(=O)(=O)NC[C@](C)(O)c2ccco2)c1 CC(C)[*:1] C[C@](O)(CNS(=O)(=O)c1cccc(c1)[*:1])c1ccco1
[NH3+][C@@](Cc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@@](Cc1ccc(F)cc1)(C(=O)[O-])[*:1]
Cc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(O)c1 Cc1ccc(c(O)c1)[*:1] O=C(N1CCC(CC1)n1c(=O)[nH]c2ccccc21)[*:1]
O=C(OCc1c(Cl)cccc1Cl)c1cnccn1 c1cnc(cn1)[*:1] O=C(OCc1c(Cl)cccc1Cl)[*:1]
C=CCNC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 CC(C)[*:1] C=CCNC(=O)N[C@H](C[*:1])c1nc2ccccc2[nH]1
C=CCNC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 C=CCNC(=O)N[*:1] CC(C)C[C@H](c1nc2ccccc2[nH]1)[*:1]
C=CCNC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 CC(C)C[*:1] C=CCNC(=O)N[C@H](c1nc2ccccc2[nH]1)[*:1]
C=CCNC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 C=CC[*:1] CC(C)C[C@@H](NC(=O)N[*:1])c1nc2ccccc2[nH]1
Cc1cc(C)n([C@@H]2CCC[C@@](C#N)(NC(C)C)C2)n1 CC(C)[*:1] Cc1cc(C)n(n1)[C@@H]1CCC[C@](C#N)(C1)N[*:1]
Cc1cc(C)n([C@@H]2CCC[C@@](C#N)(NC(C)C)C2)n1 CC(C)N[*:1] Cc1cc(C)n(n1)[C@@H]1CCC[C@@](C#N)(C1)[*:1]
CCCN(CC#N)CN1C(=O)c2ccccc2C1=O CCC[*:1] N#CCN(CN1C(=O)c2ccccc2C1=O)[*:1]
CCCN(CC#N)CN1C(=O)c2ccccc2C1=O N#CC[*:1] CCCN(CN1C(=O)c2ccccc2C1=O)[*:1]
CCn1cc(C(=O)N[C@@H](Cn2nnc3ccccc32)C(C)C)c(=O)c2ccc(C)nc21 c1ccc2c(c1)nnn2C[*:1] CCn1cc(C(=O)N[C@@H](C(C)C)[*:1])c(=O)c2ccc(C)nc21
CCn1cc(C(=O)N[C@@H](Cn2nnc3ccccc32)C(C)C)c(=O)c2ccc(C)nc21 CC(C)[*:1] CCn1cc(C(=O)N[C@@H](Cn2nnc3ccccc32)[*:1])c(=O)c2ccc(C)nc21
CCn1cc(C(=O)N[C@@H](Cn2nnc3ccccc32)C(C)C)c(=O)c2ccc(C)nc21 c1ccc2c(c1)nnn2[*:1] CCn1cc(C(=O)N[C@@H](C[*:1])C(C)C)c(=O)c2ccc(C)nc21
Cc1cc(C)n([C@@H](C)C(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)n1 Cc1cc(C)n(n1)[*:1] C[C@H]1CN(Cc2cccc(c2)NC(=O)[C@H](C)[*:1])C[C@@H](C)O1
Cc1cc(C)n([C@@H](C)C(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)n1 Cc1cc(C)n(n1)[C@@H](C)[*:1] C[C@H]1CN(Cc2cccc(c2)NC(=O)[*:1])C[C@@H](C)O1
Cc1cc(C)n([C@@H](C)C(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)n1 C[C@H]1CN(C[C@@H](C)O1)C[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
COCCC(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] COCCC(=O)NCc1ccnc(c1)[*:1]
COCCC(=O)NCc1ccnc(OC2CCC2)c1 COC[*:1] O=C(C[*:1])NCc1ccnc(c1)OC1CCC1
COCCC(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] COCCC(=O)NCc1ccnc(c1)O[*:1]
COCCC(=O)NCc1ccnc(OC2CCC2)c1 COCC[*:1] O=C(NCc1ccnc(c1)OC1CCC1)[*:1]
CCC[NH2+]Cc1ccccc1OCC1CC1 C1CC1C[*:1] CCC[NH2+]Cc1ccccc1O[*:1]
CCC[NH2+]Cc1ccccc1OCC1CC1 C1CC1CO[*:1] CCC[NH2+]Cc1ccccc1[*:1]
CCC[NH2+]Cc1ccccc1OCC1CC1 C1CC1[*:1] CCC[NH2+]Cc1ccccc1OC[*:1]
CCC[NH2+]Cc1ccccc1OCC1CC1 CCC[*:1] c1ccc(OCC2CC2)c(c1)C[NH2+][*:1]
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCCSc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCCS[*:1]
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCCSc1ccccc1 c1ccc(cc1)S[*:1] O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCC[*:1]
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCCCSc1ccccc1 c1ccc(cc1)SC[*:1] O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCC[*:1]
O=C(c1ncccc1OCC(F)(F)F)N1CC[C@H]([NH+]2CCCC2)C1 FC(F)(F)CO[*:1] O=C(c1ncccc1[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
O=C(c1ncccc1OCC(F)(F)F)N1CC[C@H]([NH+]2CCCC2)C1 FC(F)(F)C[*:1] O=C(c1ncccc1O[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
O=C(c1ncccc1OCC(F)(F)F)N1CC[C@H]([NH+]2CCCC2)C1 FC(F)(F)[*:1] O=C(c1ncccc1OC[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
CS[C@@H]1CC[C@H](NC(=O)Nc2cn[nH]c2)C1 c1n[nH]cc1[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)N[*:1]
Cc1cc(C[NH+]2CCC(Nc3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)no1 FC(F)(F)[*:1] Cc1cc(C[NH+]2CCC(CC2)Nc2ncc(-c3ccccc3)c3nc(ccc23)[*:1])no1
Cc1cc(C[NH+]2CCC(Nc3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)no1 c1ccc(cc1)[*:1] Cc1cc(C[NH+]2CCC(CC2)Nc2ncc(c3nc(ccc23)C(F)(F)F)[*:1])no1
Cc1cc(C[NH+]2CCC(Nc3ncc(-c4ccccc4)c4nc(C(F)(F)F)ccc34)CC2)no1 Cc1cc(no1)[*:1] FC(F)(F)c1ccc2c(ncc(-c3ccccc3)c2n1)NC1CC[NH+](CC1)C[*:1]
FC(F)C(F)(F)[C@@H](Cl)c1ccc(Cl)c(Cl)c1 FC(F)[*:1] FC(F)([C@@H](Cl)c1ccc(Cl)c(Cl)c1)[*:1]
C[C@H](c1ccccn1)[C@H](O)C(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](c1ccccn1)[C@H](O)C(C)(C)[*:1]
Cc1nn(C)c(C)c1OCC(=O)O[C@@H](c1ccccc1)c1nccs1 c1csc(n1)[*:1] Cc1nn(C)c(C)c1OCC(=O)O[C@@H](c1ccccc1)[*:1]
Cc1nn(C)c(C)c1OCC(=O)O[C@@H](c1ccccc1)c1nccs1 Cc1nn(C)c(C)c1[*:1] O=C(CO[*:1])O[C@@H](c1ccccc1)c1nccs1
Cc1nn(C)c(C)c1OCC(=O)O[C@@H](c1ccccc1)c1nccs1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1OCC(=O)O[C@@H](c1nccs1)[*:1]
CCOC[C@H]1CCN(C(=O)C2(O)Cc3ccccc3C2)C1 CCO[*:1] O=C(N1CC[C@@H](C1)C[*:1])C1(O)Cc2ccccc2C1
CCOC[C@H]1CCN(C(=O)C2(O)Cc3ccccc3C2)C1 CCOC[*:1] O=C(N1CC[C@@H](C1)[*:1])C1(O)Cc2ccccc2C1
CC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@H]2C(=O)Nc2ccccc2)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(Nc1ccccc1)[C@H]1[C@@H](OC(=O)N1Cc1ccc(F)cc1)[*:1]
CC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@H]2C(=O)Nc2ccccc2)c1 Fc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)[C@@H]1OC(=O)N(C[*:1])[C@H]1C(=O)Nc1ccccc1
CC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@H]2C(=O)Nc2ccccc2)c1 Fc1ccc(cc1)C[*:1] CC(=O)Nc1cccc(c1)[C@@H]1OC(=O)N([C@H]1C(=O)Nc1ccccc1)[*:1]
CC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@H]2C(=O)Nc2ccccc2)c1 O=C(Nc1ccccc1)[*:1] CC(=O)Nc1cccc(c1)[C@@H]1OC(=O)N(Cc2ccc(F)cc2)[C@@H]1[*:1]
CC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@H]2C(=O)Nc2ccccc2)c1 CC(=O)N[*:1] O=C(Nc1ccccc1)[C@H]1[C@@H](OC(=O)N1Cc1ccc(F)cc1)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(F)cc3)[C@H]2C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)[C@@H]1OC(=O)N(Cc2ccc(F)cc2)[C@H]1C(=O)N[*:1]
Cc1cc(C)cc(CCNC(=O)NCC[C@@H](C)O)c1 C[C@@H](O)[*:1] Cc1cc(C)cc(c1)CCNC(=O)NCC[*:1]
Cc1cc(C)cc(CCNC(=O)NCC[C@@H](C)O)c1 C[C@@H](O)C[*:1] Cc1cc(C)cc(c1)CCNC(=O)NC[*:1]
Cc1cc(C)cc(CCNC(=O)NCC[C@@H](C)O)c1 C[C@@H](O)CC[*:1] Cc1cc(C)cc(c1)CCNC(=O)N[*:1]
Cc1nc2cc(NC(=O)C(=O)N[C@H](CCC(C)C)C(C)(C)C)ccc2o1 CC(C)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@H](CC[*:1])C(C)(C)C
Cc1nc2cc(NC(=O)C(=O)N[C@H](CCC(C)C)C(C)(C)C)ccc2o1 CC(C)C[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@H](C[*:1])C(C)(C)C
Cc1nc2cc(NC(=O)C(=O)N[C@H](CCC(C)C)C(C)(C)C)ccc2o1 CC(C)(C)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@H](CCC(C)C)[*:1]
Cc1nc2cc(NC(=O)C(=O)N[C@H](CCC(C)C)C(C)(C)C)ccc2o1 CC(C)CC[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@H](C(C)(C)C)[*:1]
Cc1ccc(/C=C/C(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1 Cc1noc(C)c1[*:1] Cc1ccc(/C=C/C(=O)N2CCN(CC2)C[*:1])cc1
Cc1ccc(/C=C/C(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1 Cc1noc(C)c1C[*:1] Cc1ccc(/C=C/C(=O)N2CCN(CC2)[*:1])cc1
Cc1ccc(/C=C/C(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1noc(C)c1CN1CCN(CC1)C(=O)C=C[*:1]
O=C([O-])[C@@H]1CS[C@@H](C2CC2)N1C(=O)Cc1ccn[nH]1 c1cc([nH]n1)[*:1] O=C([O-])[C@@H]1CS[C@@H](C2CC2)N1C(=O)C[*:1]
O=C([O-])[C@@H]1CS[C@@H](C2CC2)N1C(=O)Cc1ccn[nH]1 O=C([O-])[*:1] O=C(Cc1ccn[nH]1)N1[C@@H](SC[C@H]1[*:1])C1CC1
O=C([O-])[C@@H]1CS[C@@H](C2CC2)N1C(=O)Cc1ccn[nH]1 c1cc(C[*:1])[nH]n1 O=C([O-])[C@@H]1CS[C@@H](C2CC2)N1C(=O)[*:1]
O=C([O-])[C@@H]1CS[C@@H](C2CC2)N1C(=O)Cc1ccn[nH]1 C1CC1[*:1] O=C([O-])[C@@H]1CS[C@@H](N1C(=O)Cc1ccn[nH]1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C CN(C)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C FC(F)(F)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(ccc1N(C)C)[*:1]
Cc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)o1 Cc1nnc(o1)[*:1] O=C(CS[*:1])Nc1cc(Cl)cc(Cl)c1
CC[C@@H]1CCCN1c1cc(C)c(N)c(C(=O)[O-])c1 O=C([O-])[*:1] CC[C@@H]1CCCN1c1cc(C)c(N)c(c1)[*:1]
CCCCCNC(=O)N[C@H]1CCCC[C@H]1n1cccn1 c1cnn(c1)[*:1] CCCCCNC(=O)N[C@H]1CCCC[C@@H]1[*:1]
CCCCCNC(=O)N[C@H]1CCCC[C@H]1n1cccn1 CCCCC[*:1] O=C(N[C@H]1CCCC[C@H]1n1cccn1)N[*:1]
CCCCCNC(=O)N[C@H]1CCCC[C@H]1n1cccn1 CCCC[*:1] O=C(NC[*:1])N[C@H]1CCCC[C@H]1n1cccn1
CCCCCNC(=O)N[C@H]1CCCC[C@H]1n1cccn1 CCC[*:1] O=C(NCC[*:1])N[C@H]1CCCC[C@H]1n1cccn1
COC(=O)c1ccccc1NC(=O)N1CCC2=NC=N[C@@H]2[C@@H]1c1cc(OC)ccc1OC COc1ccc(OC)c(c1)[*:1] COC(=O)c1ccccc1NC(=O)N1CCC2=NC=N[C@@H]2[C@H]1[*:1]
COC(=O)c1ccccc1NC(=O)N1CCC2=NC=N[C@@H]2[C@@H]1c1cc(OC)ccc1OC COC(=O)[*:1] COc1ccc(OC)c(c1)[C@H]1[C@H]2N=CN=C2CCN1C(=O)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NC(=O)N1CCC2=NC=N[C@@H]2[C@@H]1c1cc(OC)ccc1OC COC(=O)c1ccccc1[*:1] COc1ccc(OC)c(c1)[C@H]1[C@H]2N=CN=C2CCN1C(=O)N[*:1]
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccsc2)c1 c1cc(cs1)[*:1] Cc1ccc(C)c(c1)OCC(=O)NN=C[*:1]
C[C@@H]1CN(C(=O)NCCCOCC2CCOCC2)C[C@@H](c2ccccc2)O1 C1CC(CCO1)C[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)NCCCO[*:1]
C[C@@H]1CN(C(=O)NCCCOCC2CCOCC2)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](O1)[*:1])C(=O)NCCCOCC1CCOCC1
C[C@@H]1CN(C(=O)NCCCOCC2CCOCC2)C[C@@H](c2ccccc2)O1 C1CC(CCO1)COC[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)NCC[*:1]
C[C@@H]1CN(C(=O)NCCCOCC2CCOCC2)C[C@@H](c2ccccc2)O1 C1CC(CCO1)[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)NCCCOC[*:1]
C[C@@H]1CN(C(=O)NCCCOCC2CCOCC2)C[C@@H](c2ccccc2)O1 C1CC(CCO1)CO[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)NCCC[*:1]
C[NH+](C)[C@@H](CNC(=O)c1cc2cc(Br)ccc2o1)C1CC1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)c1cc2cc(Br)ccc2o1)[*:1]
CN(C(=O)c1cccnc1Sc1ccccc1)C1CCOCC1 c1ccc(cc1)[*:1] CN(C(=O)c1cccnc1S[*:1])C1CCOCC1
CN(C(=O)c1cccnc1Sc1ccccc1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)c1cccnc1Sc1ccccc1)[*:1]
CN(C(=O)c1cccnc1Sc1ccccc1)C1CCOCC1 c1ccc(cc1)S[*:1] CN(C(=O)c1cccnc1[*:1])C1CCOCC1
O=C([C@@H]1CCCS1)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C([C@@H]1CCCS1)N1C[C@@H](O)C[C@@H]1c1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] Cc1c(Cl)cccc1N(CC(=O)NC[*:1])S(C)(=O)=O
Cc1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 Cc1c(Cl)cccc1[*:1] Cc1ccc(cc1)CNC(=O)CN(S(C)(=O)=O)[*:1]
Cc1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 Cc1ccc(cc1)C[*:1] Cc1c(Cl)cccc1N(CC(=O)N[*:1])S(C)(=O)=O
C[C@@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)N[C@H]1CC(=O)N(C1)C1CC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C(F)(F)F)cc1 C1CC1[*:1] C[C@@H](NC(=O)N[C@H]1CC(=O)N(C1)[*:1])c1ccc(cc1)C(F)(F)F
C[C@@H](NC(=O)CN1CCN(c2cccc[nH+]2)CC1)c1ccco1 C[C@@H](c1ccco1)[*:1] O=C(CN1CCN(CC1)c1cccc[nH+]1)N[*:1]
C[C@@H](NC(=O)CN1CCN(c2cccc[nH+]2)CC1)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)CN1CCN(CC1)c1cccc[nH+]1)[*:1]
C[C@@H](NC(=O)CCCn1ccnn1)[C@@H]1CCOC1 c1cn(nn1)[*:1] C[C@@H](NC(=O)CCC[*:1])[C@@H]1CCOC1
C[C@@H](NC(=O)CCCn1ccnn1)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@@H](NC(=O)CCCn1ccnn1)[*:1]
C[C@@H](NC(=O)CCCn1ccnn1)[C@@H]1CCOC1 c1cn(C[*:1])nn1 C[C@@H](NC(=O)CC[*:1])[C@@H]1CCOC1
CC1(C)CCC[C@@H]1Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] CC1(C)CCC[C@@H]1Nc1cc(ccc1F)[*:1]
CC(=O)CCC(C(C)=O)C(C)=O CC(=O)[*:1] CC(=O)CCC(C(C)=O)[*:1]
CC(=O)CCC(C(C)=O)C(C)=O CC(=O)[*:1] CC(=O)C(CC[*:1])C(C)=O
CC(=O)CCC(C(C)=O)C(C)=O CC(=O)C[*:1] CC(=O)C(C[*:1])C(C)=O
C[C@H](C#N)Oc1ccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)cc1 C[C@H](C#N)[*:1] O=C1N[C@@H](Nc2cc(Cl)ccc21)c1ccc(cc1)O[*:1]
C[C@H](C#N)Oc1ccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)cc1 C[C@H](C#N)O[*:1] O=C1N[C@@H](Nc2cc(Cl)ccc21)c1ccc(cc1)[*:1]
CCCCn1c(-c2cccc(OC(F)(F)C(F)F)c2)n[nH]c1=S FC(F)[*:1] CCCCn1c(n[nH]c1=S)-c1cccc(c1)OC(F)(F)[*:1]
CCCCn1c(-c2cccc(OC(F)(F)C(F)F)c2)n[nH]c1=S CCC[*:1] FC(F)C(F)(F)Oc1cccc(c1)-c1n[nH]c(=S)n1C[*:1]
CCCCn1c(-c2cccc(OC(F)(F)C(F)F)c2)n[nH]c1=S FC(F)C(F)(F)O[*:1] CCCCn1c(n[nH]c1=S)-c1cccc(c1)[*:1]
CCCCn1c(-c2cccc(OC(F)(F)C(F)F)c2)n[nH]c1=S FC(F)C(F)(F)[*:1] CCCCn1c(n[nH]c1=S)-c1cccc(c1)O[*:1]
CCCCn1c(-c2cccc(OC(F)(F)C(F)F)c2)n[nH]c1=S CCCC[*:1] FC(F)C(F)(F)Oc1cccc(c1)-c1n[nH]c(=S)n1[*:1]
Cc1ccc(/C=C/C[NH2+]C(C)(C)C)cc1F CC(C)(C)[*:1] Cc1ccc(/C=C/C[NH2+][*:1])cc1F
COc1cc(C)c(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)cc1OC FC(F)(F)[*:1] COc1cc(C)c(cc1OC)C[NH2+][C@H](C)c1ccc(cc1)[*:1]
O=C(N[C@@H](CO)c1cc(F)c(F)c(F)c1)c1cccc(-n2ccnn2)c1 c1cn(nn1)[*:1] O=C(N[C@@H](CO)c1cc(F)c(F)c(F)c1)c1cccc(c1)[*:1]
Cc1cnn(CCC(=O)N2C[C@@H](C)Sc3ccccc32)c1 Cc1cnn(c1)[*:1] C[C@@H]1CN(C(=O)CC[*:1])c2ccccc2S1
Cc1cnn(CCC(=O)N2C[C@@H](C)Sc3ccccc32)c1 Cc1cnn(c1)C[*:1] C[C@@H]1CN(C(=O)C[*:1])c2ccccc2S1
COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O COCC[*:1] O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1[*:1]
COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O Oc1ccc(cc1)[*:1] COCCN1C(=O)[C@@H]2[C@H](C[*:1])N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O
COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O COC[*:1] O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1C[*:1]
COCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O Oc1ccc(cc1)C[*:1] COCCN1C(=O)[C@@H]2[C@H](N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O)[*:1]
CCCC1=C[C@H](CN(C)C[C@@H]2[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)Nc3scc[n+]32)N=N1 CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@@H]1Nc2scc[n+]2[C@@H]1CN(C)C[C@H]1C=C(N=N1)[*:1]
CCCC1=C[C@H](CN(C)C[C@@H]2[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)Nc3scc[n+]32)N=N1 C[C@H]1CN(C[C@@H](C)O1)C(=O)[*:1] CCCC1=C[C@H](CN(C)C[C@@H]2[C@H](Nc3scc[n+]32)[*:1])N=N1
COc1ccc([C@@H]2C[NH+]=C(N)N2C[C@H]2CCCO2)cc1Cl C1CO[C@H](C1)[*:1] COc1ccc(cc1Cl)[C@@H]1C[NH+]=C(N)N1C[*:1]
COc1ccc([C@@H]2C[NH+]=C(N)N2C[C@H]2CCCO2)cc1Cl C1CO[C@H](C1)C[*:1] COc1ccc(cc1Cl)[C@@H]1C[NH+]=C(N)N1[*:1]
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(F)c(F)cc1Cl O=C(N1CCCCC1)[*:1] O=C(Nc1ccccc1[*:1])c1cc(F)c(F)cc1Cl
CN(Cc1ccccc1)[C@@H](C[NH3+])c1ccc(Br)cc1F c1ccc(cc1)[*:1] CN(C[*:1])[C@@H](C[NH3+])c1ccc(Br)cc1F
COc1ccc(OC)c2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)nc12 c1ccc(cc1)[*:1] COc1ccc(OC)c2sc(nc12)NC(=O)c1ccc(cc1)C(=O)[*:1]
COc1ccc(OC)c2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)nc12 O=C(c1ccccc1)[*:1] COc1ccc(OC)c2sc(nc12)NC(=O)c1ccc(cc1)[*:1]
C[C@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 FC(F)(F)[*:1] C[C@H]1CCC[C@H](C1)[NH2+][C@@H]1CC(=O)N(C1)C[*:1]
C[C@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 FC(F)(F)C[*:1] C[C@H]1CCC[C@H](C1)[NH2+][C@@H]1CC(=O)N(C1)[*:1]
Cc1nc(CN(C)C(=O)[C@H]2COc3ccc(F)cc3C2)cs1 Cc1nc(cs1)C[*:1] CN(C(=O)[C@H]1COc2ccc(F)cc2C1)[*:1]
Cc1nc(CN(C)C(=O)[C@H]2COc3ccc(F)cc3C2)cs1 Cc1nc(cs1)[*:1] CN(C[*:1])C(=O)[C@H]1COc2ccc(F)cc2C1
O=C1CNC(=O)N1Cc1cccc(NCc2csc(C3CC3)n2)c1 C1CC1[*:1] O=C1CNC(=O)N1Cc1cccc(c1)NCc1csc(n1)[*:1]
O=C1CNC(=O)N1Cc1cccc(NCc2csc(C3CC3)n2)c1 O=C1CNC(=O)N1[*:1] c1cc(cc(c1)NCc1csc(n1)C1CC1)C[*:1]
O=C1CNC(=O)N1Cc1cccc(NCc2csc(C3CC3)n2)c1 c1sc(nc1[*:1])C1CC1 O=C1CNC(=O)N1Cc1cccc(c1)NC[*:1]
O=C1CNC(=O)N1Cc1cccc(NCc2csc(C3CC3)n2)c1 O=C1CNC(=O)N1C[*:1] c1cc(cc(c1)[*:1])NCc1csc(n1)C1CC1
CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 CNC(=O)[*:1] O=C(Nc1sccc1[*:1])c1ccc(cc1)S(=O)(=O)N1CCc2ccccc21
CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 CNC(=O)c1ccsc1[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)N1CCc2ccccc21
CC(C)c1nc(-c2ccc(N3CCN(C(=O)[C@@H]4CC(=O)N(C(C)C)C4)CC3)[nH+]c2)no1 CC(C)N1C[C@@H](CC1=O)[*:1] CC(C)c1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
CC(C)c1nc(-c2ccc(N3CCN(C(=O)[C@@H]4CC(=O)N(C(C)C)C4)CC3)[nH+]c2)no1 CC(C)c1nc(no1)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CC(C)c1nc(-c2ccc(N3CCN(C(=O)[C@@H]4CC(=O)N(C(C)C)C4)CC3)[nH+]c2)no1 CC(C)[*:1] CC(C)c1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)c1nc(-c2ccc(N3CCN(C(=O)[C@@H]4CC(=O)N(C(C)C)C4)CC3)[nH+]c2)no1 CC(C)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
CCOC(=O)[C@H]1N=C(C)C(CCC(=O)Nc2cccnc2)=C1C c1cncc(c1)[*:1] CCOC(=O)[C@H]1N=C(C)C(CCC(=O)N[*:1])=C1C
CCOC(=O)[C@H]1N=C(C)C(CCC(=O)Nc2cccnc2)=C1C CCOC(=O)[*:1] CC1=N[C@@H](C(C)=C1CCC(=O)Nc1cccnc1)[*:1]
Cc1oc(-c2cccs2)nc1CSc1nncn2c1cc1sccc12 c1csc(c1)[*:1] Cc1oc(nc1CSc1nncn2c1cc1sccc12)[*:1]
CC(C)(C)N1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)CC1=O CC(C)(C)[*:1] O=C1C[C@H](CN1[*:1])[NH2+]Cc1c[nH]nc1-c1cccnc1
CC(C)(C)N1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)CC1=O c1cncc(c1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)[NH2+]Cc1c[nH]nc1[*:1]
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCCN3C(=O)c4ccccc4C3=O)c2)C[C@H](C)O1 O=C1c2ccccc2C(=O)N1[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)OCC[*:1]
CN(C)c1ccc(C(=O)[C@H]2CCCC(C)(C)C2)cc1 CN(C)[*:1] CC1(C)CCC[C@@H](C1)C(=O)c1ccc(cc1)[*:1]
N#CCn1ccn(-c2cccc3ccccc23)c(=O)c1=O N#CC[*:1] O=c1c(=O)n(ccn1-c1cccc2ccccc12)[*:1]
Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 Cc1cccc(c1)C(=O)N[*:1] O=C(OCc1cc(cc2COCOc21)[N+](=O)[O-])c1ccccc1[*:1]
Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 Cc1cccc(c1)[*:1] O=C(OCc1cc(cc2COCOc21)[N+](=O)[O-])c1ccccc1NC(=O)[*:1]
Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)C(=O)Nc1ccccc1C(=O)OCc1cc(cc2COCOc21)[*:1]
COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1
COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1NC(C)=O C(=C[*:1])c1ccccc1 COc1ccc(cc1NC(C)=O)S(=O)(=O)N1CCN(CC1)C[*:1]
COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1NC(C)=O c1ccc(cc1)[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)N1CCN(CC=C[*:1])CC1
COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1NC(C)=O C(=C/c1ccccc1)\C[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)N1CCN(CC1)[*:1]
CCC[C@H](C)NC(=O)COc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CCC[C@H](C)NC(=O)COc1ccc(cc1)[*:1]
CCC[C@H](C)NC(=O)COc1ccc(N2CCCC2=O)cc1 CCC[*:1] C[C@H](NC(=O)COc1ccc(cc1)N1CCCC1=O)[*:1]
CCC[C@H](C)NC(=O)COc1ccc(N2CCCC2=O)cc1 CCC[C@H](C)[*:1] O=C(COc1ccc(cc1)N1CCCC1=O)N[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@H]2c2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2nncs2)[C@@H]1[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@H]2c2cccc(Br)c2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2cccc(Br)c2)N1c1nncs1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@H]2c2cccc(Br)c2)cc1 c1nnc(s1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(Br)c1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@H]2c2cccc(Br)c2)cc1 Cc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(Br)c2)N1c1nncs1
C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3sccc32)C(=O)N1Cc1ccco1 c1coc(c1)C[*:1] C[C@@]1(Cn2c(cc3sccc32)C(=O)N1[*:1])C(=O)NC1CCCCCC1
C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3sccc32)C(=O)N1Cc1ccco1 c1coc(c1)[*:1] C[C@@]1(Cn2c(cc3sccc32)C(=O)N1C[*:1])C(=O)NC1CCCCCC1
C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3sccc32)C(=O)N1Cc1ccco1 C1CCCC(CC1)[*:1] C[C@@]1(Cn2c(cc3sccc32)C(=O)N1Cc1ccco1)C(=O)N[*:1]
C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3sccc32)C(=O)N1Cc1ccco1 O=C(NC1CCCCCC1)[*:1] C[C@@]1(Cn2c(cc3sccc32)C(=O)N1Cc1ccco1)[*:1]
CCOC(OCC)[C@H](O)c1cncnc1 CCO[*:1] CCOC([C@H](O)c1cncnc1)[*:1]
CSC[C@@H](C)N(C)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 CSC[*:1] C[C@@H](N(C)C(=O)NCC(C)(C)c1ccc2OCOc2c1)[*:1]
CSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(F)cc1-2 N#Cc1ccc(cc1)[*:1] CSc1nnc2-c3cc(F)ccc3N(C(C)=O)[C@H](Oc2n1)[*:1]
COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccc(SC)cc2)C(C#N)(C#N)[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccc(cc2)SC)C(C#N)(C#N)[C@H]1[*:1]
COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccc(SC)cc2)C(C#N)(C#N)[C@@H]1c1ccncc1 CSc1ccc(cc1)[*:1] COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H](C(C#N)(C#N)[C@@H]1c1ccncc1)[*:1]
COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccc(SC)cc2)C(C#N)(C#N)[C@@H]1c1ccncc1 COC(=O)[*:1] COC(=O)[C@H]1C(=O)[C@H]([C@H](c2ccc(cc2)SC)C(C#N)(C#N)[C@@H]1c1ccncc1)[*:1]
COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccc(SC)cc2)C(C#N)(C#N)[C@@H]1c1ccncc1 COC(=O)[*:1] COC(=O)[C@H]1C(=O)[C@@H]([C@@H](c2ccncc2)C(C#N)(C#N)[C@H]1c1ccc(cc1)SC)[*:1]
CCN(CC(F)(F)F)C(=O)[C@@H](C)c1ccc(Br)s1 Brc1ccc(s1)[*:1] CCN(CC(F)(F)F)C(=O)[C@@H](C)[*:1]
CCN(CC(F)(F)F)C(=O)[C@@H](C)c1ccc(Br)s1 FC(F)(F)C[*:1] CCN(C(=O)[C@@H](C)c1ccc(Br)s1)[*:1]
CCN(CC(F)(F)F)C(=O)[C@@H](C)c1ccc(Br)s1 FC(F)(F)[*:1] CCN(C[*:1])C(=O)[C@@H](C)c1ccc(Br)s1
COC[C@H](NC(=O)c1cc(Cl)ccc1OC)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)c1cc(Cl)ccc1OC)[*:1]
COC[C@H](NC(=O)c1cc(Cl)ccc1OC)c1ccc(F)c(F)c1 COC[*:1] COc1ccc(Cl)cc1C(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
Cc1cc(F)ccc1CCNC(=O)c1csnn1 c1snnc1[*:1] Cc1cc(F)ccc1CCNC(=O)[*:1]
COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1cccc(c1)[*:1]
CN(C)c1[nH+]cccc1CNC(=O)c1cc2c(s1)CCC2 CN(C)[*:1] O=C(NCc1ccc[nH+]c1[*:1])c1cc2CCCc2s1
C[C@H](CO)[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 Clc1ccc(cc1)[*:1] C[C@H](CO)[C@H](C)NC(=O)N[C@@H](C1CCC1)[*:1]
C[C@H](CO)[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 C1CC(C1)[*:1] C[C@H](CO)[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
C[C@H](CO)[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 C[C@H](CO)[*:1] C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)[*:1]
CCCc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)no1 CCC[*:1] C[C@H]1CCC[C@H](C)N1C(=O)c1cc(on1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@@H]1C=CCCC1 C[C@H](O)C[*:1] CN(C(=O)N[C@@H]1C=CCCC1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@@H]1C=CCCC1 C[C@H](O)[*:1] CN(C[*:1])C(=O)N[C@@H]1C=CCCC1
Cc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3cccc(F)c3)c2=O)cc1Cl Fc1cccc(c1)[*:1] Cc1ccc(cc1Cl)-n1nc(C(=O)NC[C@H]2CCCO2)c(=O)n(C[*:1])c1=O
Cc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3cccc(F)c3)c2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(NC[C@H]1CCCO1)c1nn(c(=O)n(Cc2cccc(F)c2)c1=O)[*:1]
Cc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3cccc(F)c3)c2=O)cc1Cl Fc1cccc(c1)C[*:1] Cc1ccc(cc1Cl)-n1nc(C(=O)NC[C@H]2CCCO2)c(=O)n(c1=O)[*:1]
Cc1cc([O-])nc(SCC(=O)N[C@@H]2C(=O)N(c3ccccc3)N(C)[C@@H]2C)c1C#N c1ccc(cc1)[*:1] Cc1cc([O-])nc(SCC(=O)N[C@@H]2C(=O)N(N(C)[C@@H]2C)[*:1])c1C#N
CCOc1ccc(N2C(=S)S[C@@H]3C(=O)N=C(SCC(=O)N4CCC(C)CC4)N=C32)cc1 CC1CCN(CC1)C(=O)C[*:1] CCOc1ccc(cc1)N1C(=S)S[C@@H]2C(=O)N=C(N=C21)S[*:1]
CCOc1ccc(N2C(=S)S[C@@H]3C(=O)N=C(SCC(=O)N4CCC(C)CC4)N=C32)cc1 CCOc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)CSC1=NC(=O)[C@H]2SC(=S)N(C2=N1)[*:1]
CCOc1ccc(N2C(=S)S[C@@H]3C(=O)N=C(SCC(=O)N4CCC(C)CC4)N=C32)cc1 CC1CCN(CC1)C(=O)[*:1] CCOc1ccc(cc1)N1C(=S)S[C@@H]2C(=O)N=C(N=C21)SC[*:1]
CCOc1ccc(N2C(=S)S[C@@H]3C(=O)N=C(SCC(=O)N4CCC(C)CC4)N=C32)cc1 CCO[*:1] CC1CCN(CC1)C(=O)CSC1=NC(=O)[C@H]2SC(=S)N(C2=N1)c1ccc(cc1)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)NCCn1cccc1 CC[C@@H](C)C[*:1] C[C@@H](NC(=O)NCCn1cccc1)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)NCCn1cccc1 CC[C@@H](C)[*:1] C[C@H](C[*:1])NC(=O)NCCn1cccc1
CC[C@@H](C)C[C@@H](C)NC(=O)NCCn1cccc1 c1ccn(c1)C[*:1] CC[C@@H](C)C[C@@H](C)NC(=O)NC[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)NCCn1cccc1 c1ccn(c1)[*:1] CC[C@@H](C)C[C@@H](C)NC(=O)NCC[*:1]
CCCN/C([O-])=C(\C#N)C(=O)CSc1ccccc1Cl CCC[*:1] N#C/C(C(=O)CSc1ccccc1Cl)=C(/[O-])N[*:1]
CCCN/C([O-])=C(\C#N)C(=O)CSc1ccccc1Cl CCCN[*:1] N#C/C(C(=O)CSc1ccccc1Cl)=C(/[O-])[*:1]
COc1ccc(C)cc1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 COc1ccc(C)cc1[*:1] O=C(N[*:1])c1nc2nc(cc(n2n1)C(F)(F)F)-c1cccs1
COc1ccc(C)cc1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 FC(F)(F)[*:1] COc1ccc(C)cc1NC(=O)c1nc2nc(cc(n2n1)[*:1])-c1cccs1
COc1ccc(C)cc1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 c1csc(c1)[*:1] COc1ccc(C)cc1NC(=O)c1nc2nc(cc(n2n1)C(F)(F)F)[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C c1ccc(cc1)[*:1] CC(=O)NC(=C[*:1])C(=O)N[C@H](C(=O)[O-])C(C)C
CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C CC(=O)N[*:1] CC(C)[C@H](NC(=O)C(=Cc1ccccc1)[*:1])C(=O)[O-]
CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C CC(C)[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](C(=O)[O-])[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C O=C([O-])[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](C(C)C)[*:1]
CCNC(=O)N1[C@@H](C(=O)[O-])CC[C@@H]2CCCC[C@H]21 O=C([O-])[*:1] CCNC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1[*:1]
Cc1nn(CCC(=O)N2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)c(C)c1C Cc1nn(c(C)c1C)[*:1] CN1CC[C@]2(CCC1=O)CN(CCN2C)C(=O)CC[*:1]
Cc1nn(CCC(=O)N2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)c(C)c1C Cc1nn(C[*:1])c(C)c1C CN1CC[C@]2(CCC1=O)CN(CCN2C)C(=O)C[*:1]
Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl O=[N+]([O-])[*:1] Cc1ccc(cc1Cl)NC(=O)c1ccc(C)c(c1)[*:1]
COc1ccc(N2C(=O)N[C@@H](c3ccc(OCC#N)cc3)C(C(=O)N3CCOCC3)=C2C)cc1 N#CCOc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)N[C@@H](C(C(=O)N2CCOCC2)=C1C)[*:1]
COc1ccc(N2C(=O)N[C@@H](c3ccc(OCC#N)cc3)C(C(=O)N3CCOCC3)=C2C)cc1 COc1ccc(cc1)[*:1] CC1=C(C(=O)N2CCOCC2)[C@@H](NC(=O)N1[*:1])c1ccc(cc1)OCC#N
COc1ccc(N2C(=O)N[C@@H](c3ccc(OCC#N)cc3)C(C(=O)N3CCOCC3)=C2C)cc1 N#CCO[*:1] COc1ccc(cc1)N1C(=O)N[C@H](C(C(=O)N2CCOCC2)=C1C)c1ccc(cc1)[*:1]
COc1ccc(N2C(=O)N[C@@H](c3ccc(OCC#N)cc3)C(C(=O)N3CCOCC3)=C2C)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)N1C(=O)N[C@H](C(=C1C)[*:1])c1ccc(cc1)OCC#N
COc1ccc(N2C(=O)N[C@@H](c3ccc(OCC#N)cc3)C(C(=O)N3CCOCC3)=C2C)cc1 N#CC[*:1] COc1ccc(cc1)N1C(=O)N[C@H](C(C(=O)N2CCOCC2)=C1C)c1ccc(cc1)O[*:1]
CC[C@@H]1CCc2c(sc3ncn4nc(Cn5nc(C)cc5C)nc4c23)C1 Cc1cc(C)n(C[*:1])n1 CC[C@@H]1CCc2c(C1)sc1ncn3nc(nc3c21)[*:1]
CC[C@@H]1CCc2c(sc3ncn4nc(Cn5nc(C)cc5C)nc4c23)C1 Cc1cc(C)n(n1)[*:1] CC[C@@H]1CCc2c(C1)sc1ncn3nc(C[*:1])nc3c21
CCc1nn(C)cc1C[NH2+][C@H](c1ccccc1)c1cc2ccccc2o1 CCc1nn(C)cc1[*:1] c1ccc(cc1)[C@@H]([NH2+]C[*:1])c1cc2ccccc2o1
CCc1nn(C)cc1C[NH2+][C@H](c1ccccc1)c1cc2ccccc2o1 c1ccc(cc1)[*:1] CCc1nn(C)cc1C[NH2+][C@H](c1cc2ccccc2o1)[*:1]
O=C(Nc1cccnc1Cl)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Clc1ncccc1[*:1] O=C(N[*:1])N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
O=C(Nc1cccnc1Cl)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1cccnc1Cl)N1CCN(CC1)C(c1ccc(F)cc1)[*:1]
CC[C@@]1(C)NC(=O)N(/N=C/c2ccc(OC(=O)c3cccs3)c(OC)c2)C1=O c1csc(c1)[*:1] CC[C@@]1(C)NC(=O)N(/N=C/c2ccc(OC(=O)[*:1])c(c2)OC)C1=O
CC[C@@]1(C)NC(=O)N(/N=C/c2ccc(OC(=O)c3cccs3)c(OC)c2)C1=O O=C(O[*:1])c1cccs1 CC[C@@]1(C)NC(=O)N(/N=C/c2ccc(c(c2)OC)[*:1])C1=O
CCOCc1ccccc1NC(=O)NCc1nc(C(C)(C)C)cs1 CCOC[*:1] CC(C)(C)c1csc(CNC(=O)Nc2ccccc2[*:1])n1
CCOCc1ccccc1NC(=O)NCc1nc(C(C)(C)C)cs1 CCO[*:1] CC(C)(C)c1csc(CNC(=O)Nc2ccccc2C[*:1])n1
CCOCc1ccccc1NC(=O)NCc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CCOCc1ccccc1NC(=O)NCc1nc(cs1)[*:1]
C[NH2+][C@@H](C[C@H]1CCCc2ccccc21)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[NH2+][C@@H](C[C@H]1CCCc2ccccc21)[*:1]
CCN[C@H](C[NH+]1C[C@@H](C)[C@H](C)C1)c1cc(C)ccc1OC CCN[*:1] COc1ccc(C)cc1[C@@H](C[NH+]1C[C@@H](C)[C@H](C)C1)[*:1]
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)CC1=O CC[C@@H](C)c1ccccc1[*:1] Cc1nc(n[nH]1)-c1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)CC1=O Cc1nc(n[nH]1)[*:1] CC[C@@H](C)c1ccccc1N1C[C@@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)CC1=O CC[C@@H](C)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1[*:1]
C[C@@H]1CCN(C(=O)c2csc(-c3cccs3)n2)C[C@H]1O c1csc(c1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1csc(n1)[*:1]
O=C(NCCCNc1ccccc1)[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCN[*:1])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1
O=C(NCCCNc1ccccc1)[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 c1ccc(cc1)NCCC[*:1] O=C(N[*:1])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1
O=C(NCCCNc1ccccc1)[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 c1ccc(cc1)NCC[*:1] O=C(NC[*:1])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1
O=C(NCCCNc1ccccc1)[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCNc1ccccc1)[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[*:1]
O=C(NCCCNc1ccccc1)[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 c1ccc(cc1)N[*:1] O=C(NCCC[*:1])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1
O=C(NCCCNc1ccccc1)[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 c1ccc(cc1)NC[*:1] O=C(NCC[*:1])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1
C[C@]1(NC(=O)CCNS(=O)(=O)c2ccccc2F)CCS(=O)(=O)C1 Fc1ccccc1[*:1] C[C@@]1(CCS(=O)(=O)C1)NC(=O)CCNS(=O)(=O)[*:1]
NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 C1CO[C@@H](C1)C[*:1] NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 C1CO[C@@H](C1)[*:1] NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[*:1])C(=O)[C@@H]12
NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 NC(=O)C[*:1] O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@@H](N[C@@]21C(=O)Nc2c(Cl)cccc21)[*:1]
NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 NC(=O)[*:1] O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@H](C[*:1])N[C@@]21C(=O)Nc2c(Cl)cccc21
COc1ccnc(N2C[C@@H]3OCC(=O)N(CC4CC4)[C@@H]3C2)n1 C1CC1C[*:1] COc1ccnc(n1)N1C[C@@H]2OCC(=O)N([C@@H]2C1)[*:1]
COc1ccnc(N2C[C@@H]3OCC(=O)N(CC4CC4)[C@@H]3C2)n1 C1CC1[*:1] COc1ccnc(n1)N1C[C@@H]2OCC(=O)N(C[*:1])[C@@H]2C1
COc1cc([C@H]2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3ncnn32)cc(OC)c1OC Cc1cccc(c1C)[*:1] COc1cc(cc(OC)c1OC)[C@H]1C(C(=O)N[*:1])=C(C)Nc2ncnn21
COc1cc([C@H]2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3ncnn32)cc(OC)c1OC Cc1cccc(NC(=O)[*:1])c1C COc1cc(cc(OC)c1OC)[C@H]1C(=C(C)Nc2ncnn21)[*:1]
N#Cc1cccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(=O)N2CCCC2)c1 N#Cc1cccc(c1)[*:1] O=C([C@H]1CN(CCN1C(=O)[*:1])Cc1ccccc1)N1CCCC1
N#Cc1cccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(=O)N2CCCC2)c1 c1ccc(cc1)C[*:1] N#Cc1cccc(c1)C(=O)N1CCN(C[C@@H]1C(=O)N1CCCC1)[*:1]
N#Cc1cccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(=O)N2CCCC2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)C(=O)N1CCN(C[C@@H]1C(=O)N1CCCC1)C[*:1]
N#Cc1cccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] N#Cc1cccc(c1)C(=O)N1CCN(Cc2ccccc2)C[C@H]1[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)cc1 O=[N+]([O-])[*:1] O=S(=O)(N[C@@H]1CCCC[C@@H]1O)c1ccc(cc1)[*:1]
CCS(=O)(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C CCS(=O)(=O)N[*:1] Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2[*:1]
CCS(=O)(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C Cc1ccccc1[*:1] CCS(=O)(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2[*:1]
N#CCNC(=O)CNc1cccc(I)c1 N#CC[*:1] O=C(CNc1cccc(I)c1)N[*:1]
O=C(c1ccc(OCc2cccs2)cc1)N1CCc2noc(-c3ccccc3)c2C1 c1csc(c1)C[*:1] O=C(c1ccc(cc1)O[*:1])N1CCc2noc(-c3ccccc3)c2C1
O=C(c1ccc(OCc2cccs2)cc1)N1CCc2noc(-c3ccccc3)c2C1 c1csc(c1)[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCc2noc(-c3ccccc3)c2C1
O=C(c1ccc(OCc2cccs2)cc1)N1CCc2noc(-c3ccccc3)c2C1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)OCc1cccs1)N1CCc2noc(c2C1)[*:1]
O=C(c1ccc(OCc2cccs2)cc1)N1CCc2noc(-c3ccccc3)c2C1 c1csc(c1)CO[*:1] O=C(c1ccc(cc1)[*:1])N1CCc2noc(-c3ccccc3)c2C1
O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1C[C@@H]1[*:1]
CC(C)(C)n1cc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1 Clc1ccc(cc1)[*:1] CC(C)(C)n1cc(cn1)NC(=O)N1CCN(CC1)[*:1]
CC(C)(C)n1cc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
O=C([O-])Cn1nnnc1Sc1ncnc2c1CCCC2 O=C([O-])[*:1] c1nc2CCCCc2c(n1)Sc1nnnn1C[*:1]
O=C([O-])Cn1nnnc1Sc1ncnc2c1CCCC2 O=C([O-])C[*:1] c1nc2CCCCc2c(n1)Sc1nnnn1[*:1]
COc1ccccc1N[C@H](C)C(=O)Nc1ccccc1OC(F)F COc1ccccc1[*:1] C[C@@H](N[*:1])C(=O)Nc1ccccc1OC(F)F
COc1ccccc1N[C@H](C)C(=O)Nc1ccccc1OC(F)F FC(F)O[*:1] COc1ccccc1N[C@H](C)C(=O)Nc1ccccc1[*:1]
COc1ccccc1N[C@H](C)C(=O)Nc1ccccc1OC(F)F FC(F)[*:1] COc1ccccc1N[C@H](C)C(=O)Nc1ccccc1O[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(F)c1)n2CC Fc1cccc(c1)[*:1] CCCCn1c(=O)[nH]c(=O)c2c1nc(n2CC)[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(F)c1)n2CC CCC[*:1] CCn1c(nc2c1c(=O)[nH]c(=O)n2C[*:1])-c1cccc(F)c1
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(F)c1)n2CC CCCC[*:1] CCn1c(nc2c1c(=O)[nH]c(=O)n2[*:1])-c1cccc(F)c1
Cc1occc1C(=O)Nc1ccnc2c(F)cccc12 Cc1occc1[*:1] O=C(Nc1ccnc2c(F)cccc12)[*:1]
COc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2c2nccs2)cc1 c1csc(n1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2cc3cccc(OC)c3o2)=C([O-])C(=O)N1[*:1]
COc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2c2nccs2)cc1 COc1ccc(cc1)[*:1] COc1cccc2cc(oc12)C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1[*:1]
COc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2c2nccs2)cc1 COc1cccc2cc(oc12)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nccs1
C[C@@H]1C[NH+](CC(C)(C)C[NH2+]C2CC2)C[C@H]1C C1CC1[NH2+]C[*:1] C[C@@H]1C[NH+](C[C@H]1C)CC(C)(C)[*:1]
C[C@@H]1C[NH+](CC(C)(C)C[NH2+]C2CC2)C[C@H]1C C1CC1[NH2+][*:1] C[C@@H]1C[NH+](C[C@H]1C)CC(C)(C)C[*:1]
C[C@@H]1C[NH+](CC(C)(C)C[NH2+]C2CC2)C[C@H]1C C1CC1[*:1] C[C@@H]1C[NH+](C[C@H]1C)CC(C)(C)C[NH2+][*:1]
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1nc(C2CCCCC2)no1)C1CC1 CC(C)[C@H](C)[*:1] C[C@@H](NC(=O)N(C1CC1)[*:1])c1nc(no1)C1CCCCC1
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1nc(C2CCCCC2)no1)C1CC1 C1CCC(CC1)[*:1] CC(C)[C@H](C)N(C(=O)N[C@H](C)c1nc(no1)[*:1])C1CC1
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1nc(C2CCCCC2)no1)C1CC1 CC(C)[*:1] C[C@H](N(C(=O)N[C@H](C)c1nc(no1)C1CCCCC1)C1CC1)[*:1]
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1nc(C2CCCCC2)no1)C1CC1 C1CC1[*:1] CC(C)[C@H](C)N(C(=O)N[C@H](C)c1nc(no1)C1CCCCC1)[*:1]
Nc1n[nH]cc1S(=O)(=O)NC[C@H]1CN2CCC[C@@H]2CO1 Nc1n[nH]cc1[*:1] O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)[*:1]
C[C@H](CNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C1CCSc2ccc(cc2N1)S(=O)(=O)NC[*:1]
C[C@H](CNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNS(=O)(=O)c1ccc2SCCC(=O)Nc2c1)[*:1]
Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc2c1 c1ccc(C[*:1])nc1 Cc1cc(C)c2sc(nc2c1)N(C(=O)[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc2c1 c1ccc(nc1)[*:1] Cc1cc(C)c2sc(nc2c1)N(C[*:1])C(=O)[C@H]1CCCN(C1)S(C)(=O)=O
Fc1ccc(C2CC[NH+](Cc3ccco3)CC2)cc1 c1coc(c1)C[*:1] Fc1ccc(cc1)C1CC[NH+](CC1)[*:1]
Fc1ccc(C2CC[NH+](Cc3ccco3)CC2)cc1 c1coc(c1)[*:1] Fc1ccc(cc1)C1CC[NH+](CC1)C[*:1]
O=C(CCC(=O)N1CCc2sccc2C1)NC1(C(=O)[O-])CCCCC1 O=C([O-])[*:1] O=C(CCC(=O)N1CCc2sccc2C1)NC1(CCCCC1)[*:1]
CS(=O)(=O)CCn1ccnc1C(N)=S NC(=S)[*:1] CS(=O)(=O)CCn1ccnc1[*:1]
CS(=O)(=O)CCn1ccnc1C(N)=S CS(=O)(=O)[*:1] NC(=S)c1nccn1CC[*:1]
O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(CN1N=C(CCC1=O)C(=O)N[*:1])Nc1ccc(Cl)cc1
O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1N=C(CCC1=O)C(=O)Nc1ccc(F)cc1)N[*:1]
COCC[NH2+]CC(=O)Nc1cccc([N+](=O)[O-])c1 COC[*:1] O=C(C[NH2+]C[*:1])Nc1cccc(c1)[N+](=O)[O-]
COCC[NH2+]CC(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COCC[NH2+]CC(=O)Nc1cccc(c1)[*:1]
COCC[NH2+]CC(=O)Nc1cccc([N+](=O)[O-])c1 COCC[*:1] O=C(C[NH2+][*:1])Nc1cccc(c1)[N+](=O)[O-]
Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 C1CC1[*:1] Nc1ccc2CCN(Cc2c1)C(=O)[*:1]
COC(=O)[C@](C)(NCc1ccon1)C1CC1 COC(=O)[*:1] C[C@](NCc1ccon1)(C1CC1)[*:1]
COC(=O)[C@](C)(NCc1ccon1)C1CC1 c1cc(no1)[*:1] COC(=O)[C@](C)(NC[*:1])C1CC1
COC(=O)[C@](C)(NCc1ccon1)C1CC1 C1CC1[*:1] COC(=O)[C@](C)(NCc1ccon1)[*:1]
CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCc4ccccc43)nnc12 CC(C)[*:1] O=C(CSc1nnc2n(CC[*:1])c(=O)c3ccccc3n12)N1CCc2ccccc21
CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCc4ccccc43)nnc12 CC(C)CC[*:1] O=C(CSc1nnc2n(c(=O)c3ccccc3n12)[*:1])N1CCc2ccccc21
CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCc4ccccc43)nnc12 CC(C)C[*:1] O=C(CSc1nnc2n(C[*:1])c(=O)c3ccccc3n12)N1CCc2ccccc21
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)c1 CCOc1cccc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(Br)c2)N1c1nccs1
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] CCOc1cccc(c1)C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1[*:1]
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)c1 CCO[*:1] O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(Br)c1)c1cccc(c1)[*:1]
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)c1 c1csc(n1)[*:1] CCOc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(Br)c1)[*:1]
COc1ccc(CCc2nc3nccc(-c4ccc(F)cc4OC)n3n2)cc1 COc1ccc(cc1)C[*:1] COc1cc(F)ccc1-c1ccnc2nc(C[*:1])nn12
COc1ccc(CCc2nc3nccc(-c4ccc(F)cc4OC)n3n2)cc1 COc1ccc(cc1)[*:1] COc1cc(F)ccc1-c1ccnc2nc(CC[*:1])nn12
COc1ccc(CCc2nc3nccc(-c4ccc(F)cc4OC)n3n2)cc1 COc1cc(F)ccc1[*:1] COc1ccc(cc1)CCc1nc2nccc(n2n1)[*:1]
CC(C)N1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O CC(C)[*:1] O=C1c2cccc3c(ccc(C(=O)N1[*:1])c23)N1CCOCC1
CC(C)N1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O C1CN(CCO1)[*:1] CC(C)N1C(=O)c2cccc3c(ccc(C1=O)c23)[*:1]
[NH3+]C[C@H]1C[C@H]1c1cccc(C2CC2)c1 C1CC1[*:1] [NH3+]C[C@H]1C[C@H]1c1cccc(c1)[*:1]
ClCCc1nc2cc(Br)cnc2n1CC1CCCCC1 C1CCC(CC1)[*:1] ClCCc1nc2cc(Br)cnc2n1C[*:1]
ClCCc1nc2cc(Br)cnc2n1CC1CCCCC1 ClCC[*:1] Brc1cnc2c(c1)nc(n2CC1CCCCC1)[*:1]
Cc1nccn1-c1ccc(CNC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1F Cc1nccn1[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)C(=O)NCc1ccc(c(F)c1)[*:1]
O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(/C=C/c1ccc2OCCOc2c1)c1ccc(cc1)[*:1]
CC(C)[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C CC(C)[*:1] CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+][*:1]
CC(C)[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C CC(C)(C)[*:1] CC(C)[NH2+]C[C@H]1CCCO[C@H]1[*:1]
C#Cc1cc(F)c(NC(=O)NCC(C)(C)O)c(F)c1 CC(C)(O)[*:1] C#Cc1cc(F)c(NC(=O)NC[*:1])c(F)c1
C#Cc1cc(F)c(NC(=O)NCC(C)(C)O)c(F)c1 CC(C)(O)C[*:1] C#Cc1cc(F)c(NC(=O)N[*:1])c(F)c1
Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(o1)[C@H]1/C(C(=O)C(=O)N1CC[NH+](C)C)=C(/O)[*:1]
Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)/C(O)=C1/C(=O)C(=O)N(CC[NH+](C)C)[C@@H]1[*:1]
COC(=O)CCCNC(=O)[C@H]1Oc2ccccc2O[C@H]1C COC(=O)CC[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC[*:1]
COC(=O)CCCNC(=O)[C@H]1Oc2ccccc2O[C@H]1C COC(=O)[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCC[*:1]
COC(=O)CCCNC(=O)[C@H]1Oc2ccccc2O[C@H]1C COC(=O)C[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCC[*:1]
COC(=O)CCCNC(=O)[C@H]1Oc2ccccc2O[C@H]1C COC(=O)CCC[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[*:1]
CC(C)S[C@H]1CC[C@@]([NH3+])(CO)C1 CC(C)[*:1] [NH3+][C@@]1(CO)CC[C@@H](C1)S[*:1]
CC(C)S[C@H]1CC[C@@]([NH3+])(CO)C1 CC(C)S[*:1] [NH3+][C@@]1(CO)CC[C@@H](C1)[*:1]
CC(C)c1nnc(CN2CCNC(=O)[C@@H]2C(C)C)o1 CC(C)[*:1] CC(C)[C@H]1C(=O)NCCN1Cc1nnc(o1)[*:1]
CC(C)c1nnc(CN2CCNC(=O)[C@@H]2C(C)C)o1 CC(C)[*:1] CC(C)c1nnc(CN2CCNC(=O)[C@H]2[*:1])o1
CC(=O)NCc1nc2ccccc2n1CC(=O)NC(C)(C)C CC(C)(C)[*:1] CC(=O)NCc1nc2ccccc2n1CC(=O)N[*:1]
CC(=O)NCc1nc2ccccc2n1CC(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] CC(=O)NCc1nc2ccccc2n1C[*:1]
CC(=O)NCc1nc2ccccc2n1CC(=O)NC(C)(C)C CC(=O)NC[*:1] CC(C)(C)NC(=O)Cn1c(nc2ccccc21)[*:1]
CC(=O)NCc1nc2ccccc2n1CC(=O)NC(C)(C)C CC(=O)N[*:1] CC(C)(C)NC(=O)Cn1c(C[*:1])nc2ccccc21
CC(=O)c1cccc(NC(=O)CN2CCN(C(=O)CCC(C)C)CC2)c1 CC(C)[*:1] CC(=O)c1cccc(c1)NC(=O)CN1CCN(CC1)C(=O)CC[*:1]
CC(=O)c1cccc(NC(=O)CN2CCN(C(=O)CCC(C)C)CC2)c1 CC(=O)[*:1] CC(C)CCC(=O)N1CCN(CC1)CC(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)CN2CCN(C(=O)CCC(C)C)CC2)c1 CC(C)C[*:1] CC(=O)c1cccc(c1)NC(=O)CN1CCN(CC1)C(=O)C[*:1]
CC(=O)c1cccc(NC(=O)CN2CCN(C(=O)CCC(C)C)CC2)c1 CC(C)CC[*:1] CC(=O)c1cccc(c1)NC(=O)CN1CCN(CC1)C(=O)[*:1]
CO[C@H](C)c1noc([C@H]([NH3+])C2CCCCC2)n1 CO[C@H](C)[*:1] [NH3+][C@@H](c1nc(no1)[*:1])C1CCCCC1
COc1ccc(/C([O-])=N/S(=O)(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)/C([O-])=N/S(=O)(=O)[*:1]
CCCNC(=O)CCC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CCC[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)CCC(=O)N[*:1]
CCCNC(=O)CCC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CCCNC(=O)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)CC[*:1]
CCCNC(=O)CCC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CCCNC(=O)C[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)C[*:1]
CCCNC(=O)CCC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCCNC(=O)CCC(=O)Nc1ccc(C)c(c1)[*:1]
O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CN1C(=O)CC2(CCCCC2)C1=O)N[*:1]
COc1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)n[nH]2)c(OC)c1 c1ccc2c(c1)CC[C@H]2[*:1] COc1ccc(-c2cc(n[nH]2)C(=O)N[*:1])c(c1)OC
Cc1occc1-c1nc2n(n1)C[C@H]1C=CC=C[C@H]21 Cc1occc1[*:1] C1C=C[C@@H]2c3nc(nn3C[C@H]2C=1)[*:1]
CS(=O)(=O)NC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1 CS(=O)(=O)N[*:1] O=C(Nc1ccc(Cl)c(F)c1)N1CCC(CC1)[*:1]
C[C@H]1C[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 N#Cc1ccccc1[*:1] C[C@H]1C[C@H]1C(=O)N1CC[NH+](CCC(=O)N[*:1])CC1
COc1ccc(-n2ncc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)c2C(F)(F)F)nn1 C1CC1[*:1] COc1ccc(nn1)-n1ncc(C(=O)Nc2cccc(c2)NC(=O)[*:1])c1C(F)(F)F
COc1ccc(-n2ncc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)c2C(F)(F)F)nn1 O=C(N[*:1])C1CC1 COc1ccc(nn1)-n1ncc(C(=O)Nc2cccc(c2)[*:1])c1C(F)(F)F
COc1ccc(-n2ncc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)c2C(F)(F)F)nn1 FC(F)(F)[*:1] COc1ccc(nn1)-n1ncc(C(=O)Nc2cccc(c2)NC(=O)C2CC2)c1[*:1]
COc1ccc(-n2ncc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)c2C(F)(F)F)nn1 COc1ccc(nn1)[*:1] O=C(Nc1cccc(c1)NC(=O)C1CC1)c1cnn(c1C(F)(F)F)[*:1]
COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OC(C)C)cc1F CC(C)[*:1] COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(cc1F)O[*:1]
COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OC(C)C)cc1F CC(C)O[*:1] COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(cc1F)[*:1]
COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OC(C)C)cc1F COC(=O)[*:1] CC(C)Oc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2[*:1])c(F)c1
CSCc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 CSC[*:1] O=C(Nc1ccc2OCOc2c1)c1oc2ccccc2c1[*:1]
CCc1ccc(OCC(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 CCc1ccc(cc1)O[*:1] O=C(C[*:1])NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
CCc1ccc(OCC(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 CCc1ccc(cc1)[*:1] O=C(CO[*:1])NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
COc1ccc(Cc2nnc(Nc3ccc(Cl)cc3)nc2[O-])cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)Cc1nnc(nc1[O-])N[*:1]
COc1ccc(Cc2nnc(Nc3ccc(Cl)cc3)nc2[O-])cc1 COc1ccc(cc1)[*:1] [O-]c1nc(nnc1C[*:1])Nc1ccc(Cl)cc1
COc1ccc(Cc2nnc(Nc3ccc(Cl)cc3)nc2[O-])cc1 Clc1ccc(cc1)N[*:1] COc1ccc(cc1)Cc1nnc(nc1[O-])[*:1]
Cc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)s1 Cc1ccc(s1)[*:1] Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(cs2)[*:1])n(C)c1=O
CN(C)Nc1ncnc(NNc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CN(C)Nc1ncnc(NN[*:1])c1[N+](=O)[O-]
CN(C)Nc1ncnc(NNc2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C)Nc1ncnc(NNc2ccccc2)c1[*:1]
CN(C)Nc1ncnc(NNc2ccccc2)c1[N+](=O)[O-] CN(C)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NNc1ccccc1
O=C(CCn1nc(-c2ccccc2)ccc1=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CCn1nc(ccc1=O)-c1ccccc1)NC[*:1]
O=C(CCn1nc(-c2ccccc2)ccc1=O)NCc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(CCn1nc(ccc1=O)[*:1])NCc1ccc2OCOc2c1
CC(C)CCC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CC(C)[*:1] C[C@@H]1[C@H](CCN1C(=O)CC[*:1])C(=O)[O-]
CC(C)CCC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CC(C)CC[*:1] C[C@@H]1[C@H](CCN1C(=O)[*:1])C(=O)[O-]
CC(C)CCC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] CC(C)CCC(=O)N1CC[C@H]([C@H]1C)[*:1]
CC(C)CCC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CC(C)C[*:1] C[C@@H]1[C@H](CCN1C(=O)C[*:1])C(=O)[O-]
Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCCCC2)cc1F C1CCC(CC1)[*:1] Cc1ccc(cc1F)NC(=O)C(=O)NC[C@@H](O)[*:1]
CCOc1ccccc1NC(=O)NC[C@H](O)c1ccccc1F Fc1ccccc1[*:1] CCOc1ccccc1NC(=O)NC[C@H](O)[*:1]
CCOc1ccccc1NC(=O)NC[C@H](O)c1ccccc1F CCO[*:1] O=C(NC[C@H](O)c1ccccc1F)Nc1ccccc1[*:1]
Clc1ccc(NCc2noc(C3CC3)n2)c(Cl)c1 C1CC1[*:1] Clc1ccc(NCc2noc(n2)[*:1])c(Cl)c1
COc1nc2c(cc1C(=O)NCc1ccc(C(=O)[O-])s1)CCC2 O=C([O-])[*:1] COc1nc2CCCc2cc1C(=O)NCc1ccc(s1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1ncn(n1)[*:1]
Cc1cnn(C[C@@H](C)[NH2+]CC(C)(C)C)c1 CC(C)(C)C[*:1] Cc1cnn(c1)C[C@@H](C)[NH2+][*:1]
Cc1cnn(C[C@@H](C)[NH2+]CC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cnn(c1)C[C@@H](C)[NH2+]C[*:1]
COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(C)cc1 Cc1ccccc1[*:1] COc1cc(=O)n(nc1C(=O)Nc1ccc(C)cc1)[*:1]
COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1cc(=O)n(nc1C(=O)N[*:1])-c1ccccc1C
C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1ccsc1 O=C([O-])[*:1] C[C@H](NC(=O)N1CC[C@H]([C@H]1C)[*:1])c1ccsc1
C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1ccsc1 c1cc(cs1)[*:1] C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[*:1]
CCCCCC#CCCC(C)=O CC(=O)[*:1] CCCCCC#CCC[*:1]
CCCCCC#CCCC(C)=O CCCC[*:1] CC(=O)CCC#CC[*:1]
CCCCCC#CCCC(C)=O CC(=O)C[*:1] CCCCCC#CC[*:1]
CCCCCC#CCCC(C)=O CCC[*:1] CC(=O)CCC#CCC[*:1]
COc1ccc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] O=[N+]([O-])[*:1] COc1ccc(Cl)cc1C(=O)Nc1cc(ccc1[O-])[*:1]
C#CC[C@H](C)OC(=O)Cc1c[nH]c2cc(Cl)ccc12 C#CC[*:1] C[C@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)[*:1]
CCc1cc2c(NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)ncnc2s1 O=[N+]([O-])[*:1] CCc1cc2c(ncnc2s1)NC[C@@H](O)c1ccc(cc1)[*:1]
CC(C)Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3)[nH]2)s1 CC(C)[*:1] O=C(CSc1nnc([nH]1)-c1ccccc1)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3)[nH]2)s1 c1ccc(cc1)[*:1] CC(C)Cc1nnc(NC(=O)CSc2nnc([nH]2)[*:1])s1
CC(C)Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3)[nH]2)s1 CC(C)C[*:1] O=C(CSc1nnc([nH]1)-c1ccccc1)Nc1nnc(s1)[*:1]
CC[C@@H](C)[C@@H](C)N(C(=O)/C=C/c1ccc(C(N)=O)cc1)C1CC1 CC[C@@H](C)[*:1] C[C@@H](N(C(=O)/C=C/c1ccc(cc1)C(N)=O)C1CC1)[*:1]
CC[C@@H](C)[C@@H](C)N(C(=O)/C=C/c1ccc(C(N)=O)cc1)C1CC1 C1CC1[*:1] CC[C@@H](C)[C@@H](C)N(C(=O)/C=C/c1ccc(cc1)C(N)=O)[*:1]
CC[C@@H](C)[C@@H](C)N(C(=O)/C=C/c1ccc(C(N)=O)cc1)C1CC1 NC(=O)[*:1] CC[C@@H](C)[C@@H](C)N(C(=O)/C=C/c1ccc(cc1)[*:1])C1CC1
Cn1cc(-c2nc(CN3C(=O)N[C@@]4(CCSC4)C3=O)cs2)cn1 Cn1cc(cn1)[*:1] O=C1N[C@@]2(CCSC2)C(=O)N1Cc1csc(n1)[*:1]
CC1(C)CSC[C@H](Nc2cc(C(=O)[O-])ccc2F)C1 O=C([O-])[*:1] CC1(C)CSC[C@@H](C1)Nc1cc(ccc1F)[*:1]
O=C([O-])C[NH+]1CC2(CCCC2)C1 O=C([O-])C[*:1] C1CCC2(C1)C[NH+](C2)[*:1]
O=C([O-])C[NH+]1CC2(CCCC2)C1 O=C([O-])[*:1] C1CCC2(C1)C[NH+](C2)C[*:1]
Nc1cccc(OC(F)(F)F)c1F FC(F)(F)[*:1] Nc1cccc(O[*:1])c1F
CC[C@@H](C(=O)NC1CCN(C(=O)CC(C)C)CC1)c1ccccc1 CC(C)[*:1] CC[C@@H](C(=O)NC1CCN(CC1)C(=O)C[*:1])c1ccccc1
CC[C@@H](C(=O)NC1CCN(C(=O)CC(C)C)CC1)c1ccccc1 CC(C)C[*:1] CC[C@@H](C(=O)NC1CCN(CC1)C(=O)[*:1])c1ccccc1
CC[C@@H](C(=O)NC1CCN(C(=O)CC(C)C)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)NC1CCN(CC1)C(=O)CC(C)C)[*:1]
C[C@H]1CN(c2nc(-c3ccncc3)nc3c2cnn3C)CC[NH2+]1 c1cc(ccn1)[*:1] C[C@H]1CN(CC[NH2+]1)c1nc(nc2c1cnn2C)[*:1]
CC(C)c1nc(C(=O)N[C@@H](C)C(=O)N(C)C)n[nH]1 CN(C)C(=O)[*:1] CC(C)c1nc(n[nH]1)C(=O)N[C@@H](C)[*:1]
CC(C)c1nc(C(=O)N[C@@H](C)C(=O)N(C)C)n[nH]1 CC(C)[*:1] C[C@H](NC(=O)c1n[nH]c(n1)[*:1])C(=O)N(C)C
Cc1ccc(-c2noc(CNC(=O)Nc3ccccc3C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)NCc1nc(no1)[*:1]
Cc1ccc(-c2noc(CNC(=O)Nc3ccccc3C)n2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)-c1noc(CNC(=O)N[*:1])n1
CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc(C=O)[nH]2)CC1 O=Cc1ccc([nH]1)[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)[*:1]
CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc2NC(=O)C[C@H](C(=O)N[*:1])n2n1
CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 CC(=O)[*:1] Cc1ccc(cc1)-c1nc2NC(=O)C[C@H](C(=O)Nc3ccc(cc3)[*:1])n2n1
CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 Cc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2nc(nn21)[*:1]
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\N=C(c4ccc(F)cc4)OC3=O)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)Oc1ccc(/C=C2\N=C(OC2=O)[*:1])cc1
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\N=C(c4ccc(F)cc4)OC3=O)cc2)cc1 Cc1ccc(cc1)[*:1] O=C1OC(=N/C1=C\c1ccc(cc1)OS(=O)(=O)[*:1])c1ccc(F)cc1
COc1ccc(/C=N/NC(=O)[C@@H](C)O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(/C=N/NC(=O)[C@@H](C)O)cc1[*:1]
COc1ccc(/C=N/NC(=O)[C@@H](C)O)cc1[N+](=O)[O-] C[C@@H](O)[*:1] COc1ccc(/C=N/NC(=O)[*:1])cc1[N+](=O)[O-]
Cc1ccc(Cl)cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 Cc1ccc(Cl)cc1[*:1] CN(c1ccc(cc1)C(=O)N[*:1])S(=O)(=O)c1ccccc1
Cc1ccc(Cl)cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)c1ccc(cc1)N(C)S(=O)(=O)[*:1]
COc1ccc(Cl)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(Cl)cc1NC(=O)c1nn(C)cc1[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)[C@@H](C)NC(=O)c1ccco1 c1ccc(nc1)[*:1] C[C@@H](N(C)C(=O)[C@@H](C)NC(=O)c1ccco1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)[C@@H](C)NC(=O)c1ccco1 c1coc(c1)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)[C@@H](C)NC(=O)[*:1]
CCOc1ccccc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 CCO[*:1] CC(C)n1ncc2cc(cnc21)NC(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 CC(C)[*:1] CCOc1ccccc1C(=O)Nc1cnc2c(cnn2[*:1])c1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 C1CO[C@H](C1)C[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(Cl)cc1Cl)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(Cl)cc2Cl)N1C[C@H]1CCCO1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(Cl)cc1Cl
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(Cl)cc2Cl)N1C[C@H]1CCCO1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1[*:1]
COc1ccccc1-c1nccnc1C[C@@H]1CCCN(C(C)=O)C1 COc1ccccc1[*:1] CC(=O)N1CCC[C@@H](Cc2nccnc2[*:1])C1
CCCC(=O)Nc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1 CCC[*:1] O=C1NN=C(c2ccc(cc2)NC(=O)[*:1])[C@@H]2C[C@H]12
CCCC(=O)Nc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1 CCCC(=O)N[*:1] O=C1NN=C(c2ccc(cc2)[*:1])[C@@H]2C[C@H]12
O=C(Cn1ccccc1=O)N[C@@H](CO)c1ccccc1F O=c1ccccn1[*:1] O=C(C[*:1])N[C@@H](CO)c1ccccc1F
O=C(Cn1ccccc1=O)N[C@@H](CO)c1ccccc1F Fc1ccccc1[*:1] O=C(Cn1ccccc1=O)N[C@@H](CO)[*:1]
C[C@H]1CC[C@H]2Oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)[C@@H]2C1 O=[N+]([O-])[*:1] C[C@H]1CC[C@H]2Oc3c(cc(NS(=O)(=O)c4cccc(c4)[*:1])c4ccccc34)[C@@H]2C1
C[C@H]1CC[C@H]2Oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)[C@@H]2C1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H]1CC[C@H]2Oc3c(cc(NS(=O)(=O)[*:1])c4ccccc34)[C@@H]2C1
COc1ccc2nc3c(cc2c1)c(NC(C)=O)nn3CC(C)C CC(C)[*:1] COc1ccc2nc3c(cc2c1)c(nn3C[*:1])NC(C)=O
COc1ccc2nc3c(cc2c1)c(NC(C)=O)nn3CC(C)C CC(C)C[*:1] COc1ccc2nc3c(cc2c1)c(nn3[*:1])NC(C)=O
COc1ccc2nc3c(cc2c1)c(NC(C)=O)nn3CC(C)C CC(=O)N[*:1] COc1ccc2nc3c(cc2c1)c(nn3CC(C)C)[*:1]
C[C@@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1cccc(C#N)c1 Fc1ccc(cc1)[*:1] C[C@@H](OC(=O)C1C[C@@H](C(N)=O)N(N=1)[*:1])c1cccc(C#N)c1
C[C@@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](OC(=O)C1C[C@@H](C(N)=O)N(N=1)c1ccc(F)cc1)[*:1]
C[C@@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1cccc(C#N)c1 NC(=O)[*:1] C[C@@H](OC(=O)C1C[C@@H](N(N=1)c1ccc(F)cc1)[*:1])c1cccc(C#N)c1
CC(=O)c1nn(C)cc1Cl CC(=O)[*:1] Cn1cc(Cl)c(n1)[*:1]
Cn1c(C[NH+]2CCOCC2)nnc1SCCOc1ccccc1 c1ccc(cc1)O[*:1] Cn1c(C[NH+]2CCOCC2)nnc1SCC[*:1]
Cn1c(C[NH+]2CCOCC2)nnc1SCCOc1ccccc1 c1ccc(cc1)[*:1] Cn1c(C[NH+]2CCOCC2)nnc1SCCO[*:1]
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccnc1N1CCOCC1 C1CN(CCO1)[*:1] CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccnc1[*:1]
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccnc1N1CCOCC1 CC(C)[*:1] O=C(Nc1cccnc1N1CCOCC1)C(=O)N[C@@H]1CCC[C@H]1CC[*:1]
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccnc1N1CCOCC1 CC(C)CC[*:1] O=C(Nc1cccnc1N1CCOCC1)C(=O)N[C@@H]1CCC[C@H]1[*:1]
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccnc1N1CCOCC1 CC(C)C[*:1] O=C(Nc1cccnc1N1CCOCC1)C(=O)N[C@@H]1CCC[C@H]1C[*:1]
CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cc(F)c(F)c(F)c2)cc1 CCC(=O)N[*:1] C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1ccc(cc1)[*:1]
C=C(C)CN1CCC[C@@H]([NH+]2CCCCC2)C1 C=C(C)C[*:1] C1CC[NH+](CC1)[C@@H]1CCCN(C1)[*:1]
C=C(C)CN1CCC[C@@H]([NH+]2CCCCC2)C1 C=C(C)[*:1] C1CC[NH+](CC1)[C@@H]1CCCN(C1)C[*:1]
CCCn1nc(C)c(C[NH+]2CCc3nc(N4CCOCC4)nc([O-])c3CC2)c1C C1CN(CCO1)[*:1] CCCn1nc(C)c(C[NH+]2CCc3nc(nc([O-])c3CC2)[*:1])c1C
CCCn1nc(C)c(C[NH+]2CCc3nc(N4CCOCC4)nc([O-])c3CC2)c1C CCC[*:1] Cc1nn(c(C)c1C[NH+]1CCc2nc(nc([O-])c2CC1)N1CCOCC1)[*:1]
O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(CSc1nnc(o1)-c1ccc2OCOc2c1)N[*:1]
O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1ccc(F)c(Cl)c1 c1cc2OCOc2cc1[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc(F)c(Cl)c1
COc1cc(C=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cc(C=O)cc(I)c1OCC(=O)N[*:1]
O=C(CC1CCCC1)NC1CCN(Cc2cc(=O)n3nccc3[nH]2)CC1 C1CCC(C1)[*:1] O=C(C[*:1])NC1CCN(CC1)Cc1cc(=O)n2nccc2[nH]1
O=C(CC1CCCC1)NC1CCN(Cc2cc(=O)n3nccc3[nH]2)CC1 C1CCC(C1)C[*:1] O=C(NC1CCN(CC1)Cc1cc(=O)n2nccc2[nH]1)[*:1]
Cc1cc(C)c2nc(C)cc(C(=O)N3CC(Oc4ccccc4)C3)c2c1 c1ccc(cc1)O[*:1] Cc1cc(C)c2nc(C)cc(C(=O)N3CC(C3)[*:1])c2c1
Cc1cc(C)c2nc(C)cc(C(=O)N3CC(Oc4ccccc4)C3)c2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2nc(C)cc(C(=O)N3CC(C3)O[*:1])c2c1
N#C[C@@H](C(=O)C[C@@H]1CCCO1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] N#C[C@@H](C(=O)C[C@@H]1CCCO1)C(=O)N[*:1]
N#C[C@@H](C(=O)C[C@@H]1CCCO1)C(=O)NC1CCCC1 C1CO[C@@H](C1)[*:1] N#C[C@@H](C(=O)C[*:1])C(=O)NC1CCCC1
N#C[C@@H](C(=O)C[C@@H]1CCCO1)C(=O)NC1CCCC1 C1CO[C@@H](C1)C[*:1] N#C[C@H](C(=O)NC1CCCC1)C(=O)[*:1]
Cc1cc(-c2nnc(CCC(=O)N3CCC[C@@H](OCc4ccccc4)C3)o2)no1 c1ccc(cc1)C[*:1] Cc1cc(no1)-c1nnc(CCC(=O)N2CCC[C@H](C2)O[*:1])o1
Cc1cc(-c2nnc(CCC(=O)N3CCC[C@@H](OCc4ccccc4)C3)o2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)-c1nnc(CCC(=O)N2CCC[C@H](C2)OC[*:1])o1
Cc1cc(-c2nnc(CCC(=O)N3CCC[C@@H](OCc4ccccc4)C3)o2)no1 Cc1cc(no1)[*:1] O=C(CCc1nnc(o1)[*:1])N1CCC[C@H](C1)OCc1ccccc1
Cc1cc(-c2nnc(CCC(=O)N3CCC[C@@H](OCc4ccccc4)C3)o2)no1 c1ccc(cc1)CO[*:1] Cc1cc(no1)-c1nnc(CCC(=O)N2CCC[C@@H](C2)[*:1])o1
C[C@@H](C(=O)Nc1ccccc1Br)N1C(=O)c2ccccc2C1=O Brc1ccccc1[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CC(C)c1ccc(/C=N/NC(=O)[C@@H]2C=C(c3ccc(F)cc3)N=N2)cc1 CC(C)[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])[C@@H]1C=C(N=N1)c1ccc(F)cc1
CC(C)c1ccc(/C=N/NC(=O)[C@@H]2C=C(c3ccc(F)cc3)N=N2)cc1 Fc1ccc(cc1)[*:1] CC(C)c1ccc(/C=N/NC(=O)[C@@H]2C=C(N=N2)[*:1])cc1
CN(Cc1ccncc1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 c1cc(ccn1)C[*:1] CN(C(=O)N[C@H]1CCCN(C1)c1ncccn1)[*:1]
CN(Cc1ccncc1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 c1cc(ccn1)[*:1] CN(C[*:1])C(=O)N[C@H]1CCCN(C1)c1ncccn1
CN(Cc1ccncc1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CN(Cc1ccncc1)C(=O)N[C@H]1CCCN(C1)[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(NC(=O)C(C)C)cc2)sc(C)c1C CC(C)[*:1] CCOC(=O)c1c(NC(=O)c2ccc(cc2)NC(=O)[*:1])sc(C)c1C
CCOC(=O)c1c(NC(=O)c2ccc(NC(=O)C(C)C)cc2)sc(C)c1C CC(C)C(=O)N[*:1] CCOC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc(C)c1C
CCOC(=O)c1c(NC(=O)c2ccc(NC(=O)C(C)C)cc2)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)c2ccc(cc2)NC(=O)C(C)C)c(c1C)[*:1]
N#CC(C#N)=c1s/c(=C\c2cscn2)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] N#CC(C#N)=c1s/c(=C\c2cscn2)c(=O)n1[*:1]
N#CC(C#N)=c1s/c(=C\c2cscn2)c(=O)n1-c1ccccc1 c1nc(cs1)[*:1] N#CC(C#N)=c1sc(=C[*:1])c(=O)n1-c1ccccc1
COCCn1c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n(C)c(=O)n(C)c21 C[C@@H](c1ccccc1)[*:1] COCCn1c(cc2c(=O)n(C)c(=O)n(C)c21)C(=O)N[*:1]
COCCn1c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n(C)c(=O)n(C)c21 COCC[*:1] C[C@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1[*:1])c1ccccc1
COCCn1c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n(C)c(=O)n(C)c21 COC[*:1] C[C@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C[*:1])c1ccccc1
COCCn1c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n(C)c(=O)n(C)c21 c1ccc(cc1)[*:1] COCCn1c(cc2c(=O)n(C)c(=O)n(C)c21)C(=O)N[C@@H](C)[*:1]
CCc1nn(C)cc1CNC(=O)CNC(=O)Cc1cccc2ccccc12 CCc1nn(C)cc1C[*:1] O=C(Cc1cccc2ccccc12)NCC(=O)N[*:1]
CCc1nn(C)cc1CNC(=O)CNC(=O)Cc1cccc2ccccc12 CCc1nn(C)cc1[*:1] O=C(CNC(=O)Cc1cccc2ccccc12)NC[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccncc2CC)C1 CCNS(=O)(=O)[*:1] CCc1cnccc1C(=O)N1CC[C@H](C1)[*:1]
CSc1cccc(NC(=O)Cn2c(C)nc3c(sc4nc(-c5ccccc5)ccc43)c2=O)c1 CSc1cccc(c1)NC(=O)[*:1] Cc1nc2c(sc3nc(ccc32)-c2ccccc2)c(=O)n1C[*:1]
CSc1cccc(NC(=O)Cn2c(C)nc3c(sc4nc(-c5ccccc5)ccc43)c2=O)c1 CSc1cccc(c1)[*:1] Cc1nc2c(sc3nc(ccc32)-c2ccccc2)c(=O)n1CC(=O)N[*:1]
CSc1cccc(NC(=O)Cn2c(C)nc3c(sc4nc(-c5ccccc5)ccc43)c2=O)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)Cn1c(C)nc2c(sc3nc(ccc32)[*:1])c1=O
N#Cc1ccc(N2CCN(c3ccccc3O)CC2)c([N+](=O)[O-])c1 Oc1ccccc1[*:1] N#Cc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
N#Cc1ccc(N2CCN(c3ccccc3O)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1ccc(c(c1)[*:1])N1CCN(CC1)c1ccccc1O
Cc1cc(C)n(C2C[NH+](Cc3nnc(-c4ccccc4)o3)C2)n1 Cc1cc(C)n(n1)[*:1] c1ccc(cc1)-c1nnc(C[NH+]2CC(C2)[*:1])o1
Cc1cc(C)n(C2C[NH+](Cc3nnc(-c4ccccc4)o3)C2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)C1C[NH+](Cc2nnc(o2)[*:1])C1
C[C@@H](Cn1cncn1)NC(=O)NC1[C@@H](C)CCC[C@@H]1C c1ncn(C[*:1])n1 C[C@H]1CCC[C@H](C)C1NC(=O)N[C@H](C)[*:1]
C[C@@H](Cn1cncn1)NC(=O)NC1[C@@H](C)CCC[C@@H]1C c1ncn(n1)[*:1] C[C@@H](C[*:1])NC(=O)NC1[C@@H](C)CCC[C@@H]1C
O=C(N[C@@H]1CCCc2ccccc21)c1cc(CN2CCOCC2)on1 C1CN(CCO1)C[*:1] O=C(N[C@@H]1CCCc2ccccc21)c1cc(on1)[*:1]
O=C(N[C@@H]1CCCc2ccccc21)c1cc(CN2CCOCC2)on1 C1CN(CCO1)[*:1] O=C(N[C@@H]1CCCc2ccccc21)c1cc(C[*:1])on1
CC1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)C[*:1] CC1CCN(CC1)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
CC1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)N[C@@H]1CCCN(C[*:1])C1=O
COc1cc(C)c(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1OC C1CCC(CC1)C[*:1] COc1cc(C)c(cc1OC)NC(=O)NC1CC[NH+](CC1)[*:1]
COc1cc(C)c(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1OC C1CCC(CC1)[*:1] COc1cc(C)c(cc1OC)NC(=O)NC1CC[NH+](CC1)C[*:1]
CC[C@H](C)C[C@H](C)NC(=O)Nc1c[nH]nc1-c1ccccn1 CC[C@H](C)C[*:1] C[C@H](NC(=O)Nc1c[nH]nc1-c1ccccn1)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)Nc1c[nH]nc1-c1ccccn1 CC[C@H](C)[*:1] C[C@@H](C[*:1])NC(=O)Nc1c[nH]nc1-c1ccccn1
CC[C@H](C)C[C@H](C)NC(=O)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] CC[C@H](C)C[C@H](C)NC(=O)Nc1c[nH]nc1[*:1]
O=C1CC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)N1 O=C1CC[C@@H](N1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)[*:1]
O=C1CC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)N1 c1ccc(cc1)[*:1] O=C1CC[C@H](N1)C(=O)N[C@@H]1CCCC[C@@H]1C[*:1]
O=C1CC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)N1 c1ccc(cc1)C[*:1] O=C1CC[C@H](N1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCCCNC(=O)c1cc(C)c(C#CCO)s1 CCCC[*:1] Cc1cc(sc1C#CCO)C(=O)N[*:1]
CCCCNC(=O)c1cc(C)c(C#CCO)s1 OCC#C[*:1] CCCCNC(=O)c1cc(C)c(s1)[*:1]
CCCCNC(=O)c1cc(C)c(C#CCO)s1 CCC[*:1] Cc1cc(sc1C#CCO)C(=O)NC[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2nnc(-c3ccccn3)n2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1Cn1nnc(n1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2nnc(-c3ccccn3)n2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N1CCC[C@@H]1Cn1nnc(n1)-c1ccccn1)[*:1]
C[NH2+][C@@H]1CCC[C@@H]1CC[S@@](=O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[NH2+][C@@H]1CCC[C@@H]1CC[S@@](=O)c1ccc(cc1)[*:1]
CCN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)[C@@H](C)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)[C@@H](C)[*:1]
O=C(CC1CCC1)Nc1cccc(CSC2CCOCC2)c1 C1CC(CCO1)S[*:1] O=C(CC1CCC1)Nc1cccc(c1)C[*:1]
O=C(CC1CCC1)Nc1cccc(CSC2CCOCC2)c1 C1CC(CCO1)[*:1] O=C(CC1CCC1)Nc1cccc(c1)CS[*:1]
O=C(CC1CCC1)Nc1cccc(CSC2CCOCC2)c1 C1CC(C1)[*:1] O=C(C[*:1])Nc1cccc(c1)CSC1CCOCC1
O=C(CC1CCC1)Nc1cccc(CSC2CCOCC2)c1 C1CC(C1)C[*:1] O=C(Nc1cccc(c1)CSC1CCOCC1)[*:1]
CCC(C)(C)[NH+](C)CC(=O)Nc1sc(C)c(C)c1C CCC(C)(C)[*:1] Cc1sc(NC(=O)C[NH+](C)[*:1])c(C)c1C
CCOc1ccc(-c2cn3c(CC(=O)NC(C)(C)C)csc3n2)cc1 CC(C)(C)NC(=O)[*:1] CCOc1ccc(cc1)-c1cn2c(csc2n1)C[*:1]
CCOc1ccc(-c2cn3c(CC(=O)NC(C)(C)C)csc3n2)cc1 CC(C)(C)NC(=O)C[*:1] CCOc1ccc(cc1)-c1cn2c(csc2n1)[*:1]
CCOc1ccc(-c2cn3c(CC(=O)NC(C)(C)C)csc3n2)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)-c1cn2c(csc2n1)CC(=O)N[*:1]
CCOc1ccc(-c2cn3c(CC(=O)NC(C)(C)C)csc3n2)cc1 CCO[*:1] CC(C)(C)NC(=O)Cc1csc2nc(cn12)-c1ccc(cc1)[*:1]
Cc1noc(C)c1CN(C(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1CN(C(=O)[*:1])c1ccccc1
Cc1noc(C)c1CN(C(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1CN(C(=O)c1ccccc1)[*:1]
Cc1noc(C)c1CN(C(=O)c1ccccc1)c1ccccc1 Cc1noc(C)c1[*:1] O=C(c1ccccc1)N(C[*:1])c1ccccc1
Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])Nc1ccc2C(=O)N(C(=O)c2c1)C1CCCCC1
Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])Nc1ccc2C(=O)N(C(=O)c2c1)C1CCCCC1
Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1 Cc1cccc(c1)OC[*:1] O=C1c2ccc(cc2C(=O)N1C1CCCCC1)NC(=O)[*:1]
Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)OCC(=O)Nc1ccc2C(=O)N(C(=O)c2c1)[*:1]
C[NH+](CCC#N)CCOCC1CC1 N#CCC[*:1] C[NH+](CCOCC1CC1)[*:1]
C[NH+](CCC#N)CCOCC1CC1 N#CC[*:1] C[NH+](CCOCC1CC1)C[*:1]
C[NH+](CCC#N)CCOCC1CC1 C1CC1[*:1] C[NH+](CCC#N)CCOC[*:1]
C[NH+](CCC#N)CCOCC1CC1 C1CC1C[*:1] C[NH+](CCC#N)CCO[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+]3CCCC3)[C@@H]2c2ccco2)cc1 COc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccco2)N1CC[NH+]1CCCC1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+]3CCCC3)[C@@H]2c2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1[*:1]
COC(=O)c1cc(C(=O)NNc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cc(cc(c1)[*:1])C(=O)NNc1ccccc1C(F)(F)F
COC(=O)c1cc(C(=O)NNc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 FC(F)(F)[*:1] COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NNc1ccccc1[*:1]
COC(=O)c1cc(C(=O)NNc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 COC(=O)[*:1] O=C(NNc1ccccc1C(F)(F)F)c1cc(cc(c1)[*:1])[N+](=O)[O-]
O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NC(=O)N[*:1]
O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NC(=O)NC[*:1]
C[C@@H](NC(=O)NOCc1ccccc1)c1ccc(-c2cccnc2)cc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)NO[*:1])c1ccc(cc1)-c1cccnc1
C[C@@H](NC(=O)NOCc1ccccc1)c1ccc(-c2cccnc2)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NOC[*:1])c1ccc(cc1)-c1cccnc1
C[C@@H](NC(=O)NOCc1ccccc1)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)NOCc1ccccc1)c1ccc(cc1)[*:1]
Cc1ccc(-c2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2C)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)-c1nc(NC(=O)c2nn(C)cc2[*:1])sc1C
Cc1ccc(-c2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2C)cc1C Cc1ccc(cc1C)[*:1] Cc1sc(nc1[*:1])NC(=O)c1nn(C)cc1[N+](=O)[O-]
CCNC(=O)C[C@@H]([NH2+]C1CCCCC1)C(N)=O CCNC(=O)[*:1] NC(=O)[C@@H](C[*:1])[NH2+]C1CCCCC1
CCNC(=O)C[C@@H]([NH2+]C1CCCCC1)C(N)=O NC(=O)[*:1] CCNC(=O)C[C@@H]([NH2+]C1CCCCC1)[*:1]
Cc1ccccc1NC(=O)CSC1=NC(=O)C[C@@H](c2cccc(Br)c2)[C@H]1C#N Brc1cccc(c1)[*:1] Cc1ccccc1NC(=O)CSC1=NC(=O)C[C@@H]([C@H]1C#N)[*:1]
Cc1ccccc1NC(=O)CSC1=NC(=O)C[C@@H](c2cccc(Br)c2)[C@H]1C#N Cc1ccccc1[*:1] N#C[C@H]1C(=NC(=O)C[C@H]1c1cccc(Br)c1)SCC(=O)N[*:1]
CC[C@H]1CC[C@H](c2noc([C@](C)(N)C(F)(F)F)n2)C1 FC(F)(F)[*:1] CC[C@H]1CC[C@@H](C1)c1noc(n1)[C@](C)(N)[*:1]
Cc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)cc1F Cc1ccc(cc1F)[*:1] O=C(N[*:1])c1ccc(=O)n(c1)Cc1cccc(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)cc1F O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1F)NC(=O)c1ccc(=O)n(c1)C[*:1]
Cc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1F)NC(=O)c1ccc(=O)n(c1)Cc1cccc(c1)[*:1]
CC(C)NC(=O)CCNC(=O)[C@@H]1CCCS1 CC(C)[*:1] O=C(CCNC(=O)[C@@H]1CCCS1)N[*:1]
CC(C)NC(=O)CCNC(=O)[C@@H]1CCCS1 C1CS[C@@H](C1)[*:1] CC(C)NC(=O)CCNC(=O)[*:1]
O=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1cccs1 Clc1ccc(cc1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])c1cccs1
O=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1cccs1 O=C(N[*:1])c1cccs1 O=c1ccc(nn1CC[*:1])-c1ccc(Cl)cc1
O=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)c1cccs1 c1csc(c1)[*:1] O=C(NCCn1nc(ccc1=O)-c1ccc(Cl)cc1)[*:1]
CCOc1ccc(NC[C@@H]2CCCN(S(C)(=O)=O)C2)cn1 CCO[*:1] CS(=O)(=O)N1CCC[C@@H](CNc2ccc(nc2)[*:1])C1
C[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)c1ccncc1 FC(F)(F)[*:1] C[C@H](NC(=O)Nc1ccccc1O[*:1])c1ccncc1
C[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)[*:1]
C[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)c1ccncc1 FC(F)(F)O[*:1] C[C@H](NC(=O)Nc1ccccc1[*:1])c1ccncc1
N#Cc1cccc(/C=C\C(=O)Oc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] N#Cc1cccc(/C=C\C(=O)Oc2cccc(c2)[*:1])c1
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(OC)c1 Clc1ccccc1[*:1] COc1ccc(/C=N/NC(=O)C(=O)N[*:1])c(c1)OC
O=c1[nH]c(Nc2ccccc2)nc2ncn(Cc3ccccc3)c12 c1ccc(cc1)N[*:1] O=c1[nH]c(nc2ncn(Cc3ccccc3)c12)[*:1]
O=c1[nH]c(Nc2ccccc2)nc2ncn(Cc3ccccc3)c12 c1ccc(cc1)[*:1] O=c1[nH]c(nc2ncn(C[*:1])c12)Nc1ccccc1
O=c1[nH]c(Nc2ccccc2)nc2ncn(Cc3ccccc3)c12 c1ccc(cc1)C[*:1] O=c1[nH]c(nc2ncn(c12)[*:1])Nc1ccccc1
O=c1[nH]c(Nc2ccccc2)nc2ncn(Cc3ccccc3)c12 c1ccc(cc1)[*:1] O=c1[nH]c(nc2ncn(Cc3ccccc3)c12)N[*:1]
Cc1ccc2nc3c(c(C(=O)O[C@@H](C)C(=O)Nc4ccc(S(N)(=O)=O)cc4)c2c1)CCCC3 NS(=O)(=O)c1ccc(cc1)[*:1] Cc1ccc2nc3CCCCc3c(C(=O)O[C@@H](C)C(=O)N[*:1])c2c1
Cc1ccc2nc3c(c(C(=O)O[C@@H](C)C(=O)Nc4ccc(S(N)(=O)=O)cc4)c2c1)CCCC3 NS(=O)(=O)[*:1] Cc1ccc2nc3CCCCc3c(C(=O)O[C@@H](C)C(=O)Nc3ccc(cc3)[*:1])c2c1
c1nc(-c2nc(-c3ccoc3)cs2)n[nH]1 c1cc(co1)[*:1] c1nc(n[nH]1)-c1nc(cs1)[*:1]
c1nc(-c2nc(-c3ccoc3)cs2)n[nH]1 c1nc(n[nH]1)[*:1] c1cc(co1)-c1csc(n1)[*:1]
O=C(c1ccc2ncsc2c1)N1CCC[C@H](OCc2ccccn2)C1 c1ccc(CO[*:1])nc1 O=C(c1ccc2ncsc2c1)N1CCC[C@H](C1)[*:1]
O=C(c1ccc2ncsc2c1)N1CCC[C@H](OCc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(c1ccc2ncsc2c1)N1CCC[C@@H](C1)OC[*:1]
O=C(c1ccc2ncsc2c1)N1CCC[C@H](OCc2ccccn2)C1 c1ccc(C[*:1])nc1 O=C(c1ccc2ncsc2c1)N1CCC[C@@H](C1)O[*:1]
O=C(NC[C@H]1CCCO1)NNC(=O)c1cc(F)cc(Br)c1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])NNC(=O)c1cc(F)cc(Br)c1
O=C(NC[C@H]1CCCO1)NNC(=O)c1cc(F)cc(Br)c1 C1CO[C@H](C1)C[*:1] O=C(NNC(=O)c1cc(F)cc(Br)c1)N[*:1]
O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)[*:1]
CS(=O)(=O)c1ccc(C(=O)O[C@H]2CCOC2=O)cc1 CS(=O)(=O)[*:1] O=C(O[C@H]1CCOC1=O)c1ccc(cc1)[*:1]
O=C([C@H]1COCCO1)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C([C@H]1COCCO1)N(CCO)C[*:1]
O=C([C@H]1COCCO1)N(CCO)Cc1ccccc1 OCC[*:1] O=C([C@H]1COCCO1)N(Cc1ccccc1)[*:1]
COCCNC(=O)c1ccc(N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)nc1 COC[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](C)N(C1)c1ccc(cn1)C(=O)NC[*:1]
COCCNC(=O)c1ccc(N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)nc1 COc1ccc(cc1)[*:1] COCCNC(=O)c1ccc(nc1)N1C[C@H](C[C@H]1C)[*:1]
COCCNC(=O)c1ccc(N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)nc1 COCC[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](C)N(C1)c1ccc(cn1)C(=O)N[*:1]
COCCNC(=O)c1ccc(N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)nc1 COCCNC(=O)[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](C)N(C1)c1ccc(cn1)[*:1]
Cc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4cccc(Cl)c4)=NC(=O)[C@@H]32)cc1C Clc1cccc(c1)[*:1] Cc1ccc(cc1C)NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)SC[*:1]
Cc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4cccc(Cl)c4)=NC(=O)[C@@H]32)cc1C Cc1ccc(cc1C)[*:1] O=C1C[C@H](C(=O)N[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1cccc(Cl)c1
Cc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4cccc(Cl)c4)=NC(=O)[C@@H]32)cc1C Clc1cccc(c1)C[*:1] Cc1ccc(cc1C)NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)S[*:1]
COc1ccccc1CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 O=S(=O)(c1cccs1)[*:1] COc1ccccc1CCN[C@H]1CS(=O)(=O)C[C@H]1[*:1]
COc1ccccc1CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] COc1ccccc1CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[*:1]
COc1ccccc1CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 COc1ccccc1[*:1] O=S1(=O)C[C@H](NCC[*:1])[C@H](C1)S(=O)(=O)c1cccs1
O=C(NCCCc1ccc(O)cc1)Nc1ccc(Oc2cccnc2)nc1 Oc1ccc(cc1)[*:1] O=C(NCCC[*:1])Nc1ccc(nc1)Oc1cccnc1
O=C(NCCCc1ccc(O)cc1)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)O[*:1] O=C(NCCCc1ccc(O)cc1)Nc1ccc(nc1)[*:1]
O=C(NCCCc1ccc(O)cc1)Nc1ccc(Oc2cccnc2)nc1 Oc1ccc(cc1)C[*:1] O=C(NCC[*:1])Nc1ccc(nc1)Oc1cccnc1
O=C(NCCCc1ccc(O)cc1)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)[*:1] O=C(NCCCc1ccc(O)cc1)Nc1ccc(nc1)O[*:1]
O=C(NCCCc1ccc(O)cc1)Nc1ccc(Oc2cccnc2)nc1 Oc1ccc(cc1)CC[*:1] O=C(NC[*:1])Nc1ccc(nc1)Oc1cccnc1
CC(=O)Nc1ccc(CC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)cc1 CC(=O)N[*:1] Cc1cc(ccc1NC(=O)Cc1ccc(cc1)[*:1])C(=O)NC1CCCC1
CC(=O)Nc1ccc(CC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)cc1 C1CCC(C1)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)Nc1ccc(cc1C)C(=O)N[*:1]
CC(=O)Nc1ccc(CC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)cc1 O=C(NC1CCCC1)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)Nc1ccc(cc1C)[*:1]
Cc1cc(C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)nc(N)n1 C1CN(CCO1)CC[*:1] Cc1cc(nc(N)n1)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1cc(C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)nc(N)n1 Cc1cc(nc(N)n1)[*:1] O=C(NCCN1CCOCC1)c1ccccc1NC(=O)[*:1]
Cc1cc(C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)nc(N)n1 C1CN(CCO1)C[*:1] Cc1cc(nc(N)n1)C(=O)Nc1ccccc1C(=O)NC[*:1]
Cc1cc(C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)nc(N)n1 C1CN(CCO1)[*:1] Cc1cc(nc(N)n1)C(=O)Nc1ccccc1C(=O)NCC[*:1]
CN(Cc1cccc(-n2cccn2)c1)Cc1nc2c(s1)CCCC2 c1cnn(c1)[*:1] CN(Cc1cccc(c1)[*:1])Cc1nc2CCCCc2s1
CCC[NH2+][C@H](CC)Cc1ccc2nccnc2n1 CCC[*:1] CC[C@H](Cc1ccc2nccnc2n1)[NH2+][*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(c3ccccc3)C(C)C)c12 c1ccc(cc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(C(C)C)[*:1])c12)C1CC1
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(c3ccccc3)C(C)C)c12 C1CC1[*:1] Cc1nn(C)c2nc(cc(C(=O)N(c3ccccc3)C(C)C)c12)[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(c3ccccc3)C(C)C)c12 CC(C)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(c3ccccc3)[*:1])c12)C1CC1
CC(C)N(CCc1nccs1)C(=O)Cc1cccc(O)c1 c1csc(C[*:1])n1 CC(C)N(C[*:1])C(=O)Cc1cccc(O)c1
CC(C)N(CCc1nccs1)C(=O)Cc1cccc(O)c1 Oc1cccc(c1)[*:1] CC(C)N(CCc1nccs1)C(=O)C[*:1]
CC(C)N(CCc1nccs1)C(=O)Cc1cccc(O)c1 CC(C)[*:1] O=C(Cc1cccc(O)c1)N(CCc1nccs1)[*:1]
CC(C)N(CCc1nccs1)C(=O)Cc1cccc(O)c1 c1csc(n1)[*:1] CC(C)N(CC[*:1])C(=O)Cc1cccc(O)c1
CC(C)N(CCc1nccs1)C(=O)Cc1cccc(O)c1 c1csc(CC[*:1])n1 CC(C)N(C(=O)Cc1cccc(O)c1)[*:1]
O=C(CCCNC(=O)c1ccc(F)cc1)N[C@@H]1CCc2ccccc21 Fc1ccc(cc1)[*:1] O=C(CCCNC(=O)[*:1])N[C@@H]1CCc2ccccc21
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1C[C@H]1[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[*:1]
O=C(CN1CC[NH+](Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC1)Cc1nc2sc(cc2c(=O)[nH]1)-c1ccccc1)N[*:1]
O=C(CN1CC[NH+](Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=c1[nH]c(C[NH+]2CCN(CC2)C[*:1])nc2sc(cc12)-c1ccccc1
O=C(CN1CC[NH+](Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC1)Cc1nc2sc(cc2c(=O)[nH]1)[*:1])Nc1ccc(F)cc1
O=C(CN1CC[NH+](Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1)Nc1ccc(F)cc1 O=C(C[*:1])Nc1ccc(F)cc1 O=c1[nH]c(C[NH+]2CCN(CC2)[*:1])nc2sc(cc12)-c1ccccc1
CCC[NH2+][C@@H](CSc1cc2ccccc2[nH]1)C(=O)[O-] O=C([O-])[*:1] CCC[NH2+][C@@H](CSc1cc2ccccc2[nH]1)[*:1]
CCC[NH2+][C@@H](CSc1cc2ccccc2[nH]1)C(=O)[O-] CCC[*:1] O=C([O-])[C@H](CSc1cc2ccccc2[nH]1)[NH2+][*:1]
Cc1cc([N+](=O)[O-])cnc1S[C@@H](C)C(C)C CC(C)[*:1] Cc1cc(cnc1S[C@@H](C)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1S[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] Cc1cc(cnc1S[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1S[C@@H](C)C(C)C O=[N+]([O-])[*:1] Cc1cc(cnc1S[C@@H](C)C(C)C)[*:1]
Cc1ccc2c(c1)s/c(=N/C(=O)CS(=O)(=O)Cc1ccccc1)n2C c1ccc(cc1)C[*:1] Cc1ccc2c(c1)s/c(=N/C(=O)CS(=O)(=O)[*:1])n2C
Cc1ccc2c(c1)s/c(=N/C(=O)CS(=O)(=O)Cc1ccccc1)n2C c1ccc(cc1)[*:1] Cc1ccc2c(c1)s/c(=N/C(=O)CS(=O)(=O)C[*:1])n2C
C[C@H]1[C@@H]([NH2+]CCc2ccsc2)CC(=O)N1Cc1ccccc1 c1cc(cs1)CC[*:1] C[C@H]1[C@H](CC(=O)N1Cc1ccccc1)[NH2+][*:1]
C[C@H]1[C@@H]([NH2+]CCc2ccsc2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1[C@H](CC(=O)N1[*:1])[NH2+]CCc1ccsc1
C[C@H]1[C@@H]([NH2+]CCc2ccsc2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1[C@H](CC(=O)N1C[*:1])[NH2+]CCc1ccsc1
C[C@H]1[C@@H]([NH2+]CCc2ccsc2)CC(=O)N1Cc1ccccc1 c1cc(cs1)[*:1] C[C@H]1[C@H](CC(=O)N1Cc1ccccc1)[NH2+]CC[*:1]
C[C@H]1[C@@H]([NH2+]CCc2ccsc2)CC(=O)N1Cc1ccccc1 c1cc(cs1)C[*:1] C[C@H]1[C@H](CC(=O)N1Cc1ccccc1)[NH2+]C[*:1]
O=C([C@H]1C[C@H]1c1ccccc1)N1CCOC[C@@H]1C1CC1 c1ccc(cc1)[*:1] O=C([C@H]1C[C@@H]1[*:1])N1CCOC[C@@H]1C1CC1
O=C([C@H]1C[C@H]1c1ccccc1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C([C@H]1C[C@H]1c1ccccc1)N1CCOC[C@H]1[*:1]
CCc1ccc(/C([O-])=N/S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 CC(=O)[*:1] CCc1ccc(cc1)/C([O-])=N/S(=O)(=O)c1ccc(cc1)[*:1]
O=C(N[C@H]1CCOC1)N1CCC(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(N[C@H]1CCOC1)N1CCC(CC1)[*:1]
O=C(C[C@@H]1CCCO1)Nc1ccc(Br)cc1C(F)(F)F C1CO[C@@H](C1)C[*:1] O=C(Nc1ccc(Br)cc1C(F)(F)F)[*:1]
O=C(C[C@@H]1CCCO1)Nc1ccc(Br)cc1C(F)(F)F C1CO[C@@H](C1)[*:1] O=C(C[*:1])Nc1ccc(Br)cc1C(F)(F)F
O=C(C[C@@H]1CCCO1)Nc1ccc(Br)cc1C(F)(F)F FC(F)(F)[*:1] O=C(C[C@@H]1CCCO1)Nc1ccc(Br)cc1[*:1]
Cc1ccc(-c2csc3ncnc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)c23)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1ncnc2scc(c12)[*:1])N1CCN(CC1)C(=O)c1ccco1
Cc1ccc(-c2csc3ncnc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)c23)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-c1csc2ncnc(SCC(=O)N3CCN(CC3)C(=O)[*:1])c12
O=C1NCCC[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C1NCCC[C@@H]1C(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)(C)c1ccc(C(=O)C(=O)NCCC(=O)NC2CCCC2)cc1 CC(C)(C)[*:1] O=C(CCNC(=O)C(=O)c1ccc(cc1)[*:1])NC1CCCC1
CC(C)(C)c1ccc(C(=O)C(=O)NCCC(=O)NC2CCCC2)cc1 O=C(NC1CCCC1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)C(=O)NCC[*:1]
CC(C)(C)c1ccc(C(=O)C(=O)NCCC(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)C(=O)NCCC(=O)N[*:1]
Cc1nnc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)s1 Cc1nnc(s1)[*:1] O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N[*:1]
Cc1nnc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)s1 Clc1cccc(c1)[*:1] Cc1nnc(NC(=O)Cc2csc(C[*:1])n2)s1
O=C(/N=C1/N=N[C@H](C2CCCC2)S1)Nc1ccc(Cl)cc1 C1CCC(C1)[*:1] O=C(/N=C1/N=N[C@H](S1)[*:1])Nc1ccc(Cl)cc1
O=C(/N=C1/N=N[C@H](C2CCCC2)S1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(/N=C1/N=N[C@@H](S1)C1CCCC1)N[*:1]
CSc1nc(C2CC2)nc(C)c1C(=O)[O-] O=C([O-])[*:1] CSc1nc(nc(C)c1[*:1])C1CC1
CSc1nc(C2CC2)nc(C)c1C(=O)[O-] C1CC1[*:1] CSc1nc(nc(C)c1C(=O)[O-])[*:1]
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccccc1[*:1])C1CCCCC1
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 C1CCC(CC1)[*:1] O=C(N/N=C/c1ccccc1[N+](=O)[O-])[*:1]
CC(=O)Nc1ccc(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 CC(=O)N[*:1] O=C1[C@H](CCN1c1ccccc1)N1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C[NH+]1CCN(CC1)[C@H]1CCN(C1=O)[*:1]
CC[C@@H](C)NC(=O)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C CC[C@@H](C)NC(=O)[*:1] CC[C@]1(CCCN1C(=O)OC(C)(C)C)[*:1]
CC[C@@H](C)NC(=O)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CC[C@@H](C)NC(=O)[C@@]1(CC)CCCN1C(=O)O[*:1]
CC[C@@H](C)NC(=O)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C CC[C@@H](C)[*:1] CC[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)N[*:1]
Cn1cc([C@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 Cn1cc(cn1)[*:1] O=C(NC[C@@H](O)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
Cn1cc([C@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)[C@H](O)CNC(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1NC(=O)Nc1cccc(NC(C)=O)c1 CC(=O)N[*:1] COc1ccccc1NC(=O)Nc1cccc(c1)[*:1]
O=C(Nc1nnc(-c2ccsc2)s1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1nnc(s1)-c1ccsc1)c1cccc(c1)[*:1]
O=C(Nc1nnc(-c2ccsc2)s1)c1cccc([N+](=O)[O-])c1 c1cc(cs1)[*:1] O=C(Nc1nnc(s1)[*:1])c1cccc(c1)[N+](=O)[O-]
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2Cc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2ccc3OCCOc3c2)=C([O-])C(=O)N1C[*:1]
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2Cc2ccccc2)o1 c1ccc(cc1)C[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2ccc3OCCOc3c2)=C([O-])C(=O)N1[*:1]
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2Cc2ccccc2)o1 Cc1ccc(o1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1[*:1])c1ccc2OCCOc2c1
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2Cc2ccccc2)o1 c1cc2OCCOc2cc1[*:1] Cc1ccc(o1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccccc1
Cc1c(C(=O)NC2CCN(C(=O)c3ccsc3)CC2)nc2cc(Cl)ccn12 c1cc(cs1)[*:1] Cc1c(nc2cc(Cl)ccn12)C(=O)NC1CCN(CC1)C(=O)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccco2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C1)C(=O)N(Cc1ccco1)Cc1ccco1
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccco2)C1 c1coc(c1)C[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)N(Cc1ccco1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccco2)C1 c1coc(c1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)N(Cc1ccco1)C[*:1]
C[C@@H](c1nnnn1-c1ccccc1)N1CCC(O)(C(F)(F)F)CC1 c1ccc(cc1)[*:1] C[C@@H](c1nnnn1[*:1])N1CCC(O)(CC1)C(F)(F)F
C[C@@H](c1nnnn1-c1ccccc1)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] C[C@@H](c1nnnn1-c1ccccc1)N1CCC(O)(CC1)[*:1]
O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)COc1ccccc1 c1ccc(cc1)O[*:1] O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[*:1]
O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)COc1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CO[*:1]
O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)COc1ccccc1 O=C([O-])[*:1] O=C(COc1ccccc1)N1Cc2ccccc2C[C@H]1[*:1]
CN(C(=O)c1ccc(C(=O)OCc2[nH+]ccn2C)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)C(=O)OCc1[nH+]ccn1C)[*:1]
COc1cccc(CNC(=O)CCNC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c1 c1ccc2c(c[nH]c2c1)[*:1] COc1cccc(c1)CNC(=O)CCNC(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(CNC(=O)CCNC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c1 COc1cccc(c1)C[*:1] O=C(CCNC(=O)N1CCN(CC1)C(=O)c1c[nH]c2ccccc12)N[*:1]
COc1cccc(CNC(=O)CCNC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c1 COc1cccc(c1)[*:1] O=C(CCNC(=O)N1CCN(CC1)C(=O)c1c[nH]c2ccccc12)NC[*:1]
CCn1ncnc1C[C@@H](C[NH2+]C1CC1)c1ccccc1Br C1CC1[*:1] CCn1ncnc1C[C@@H](C[NH2+][*:1])c1ccccc1Br
CCn1ncnc1C[C@@H](C[NH2+]C1CC1)c1ccccc1Br Brc1ccccc1[*:1] CCn1ncnc1C[C@@H](C[NH2+]C1CC1)[*:1]
CCn1ncnc1C[C@@H](C[NH2+]C1CC1)c1ccccc1Br CCn1ncnc1[*:1] Brc1ccccc1[C@H](C[NH2+]C1CC1)C[*:1]
CCC(CC)CN(CCC#N)C(=O)c1cccnc1 c1cncc(c1)[*:1] CCC(CC)CN(CCC#N)C(=O)[*:1]
CCC(CC)CN(CCC#N)C(=O)c1cccnc1 CCC(CC)[*:1] N#CCCN(C[*:1])C(=O)c1cccnc1
CCC(CC)CN(CCC#N)C(=O)c1cccnc1 N#CCC[*:1] CCC(CC)CN(C(=O)c1cccnc1)[*:1]
CCC(CC)CN(CCC#N)C(=O)c1cccnc1 N#CC[*:1] CCC(CC)CN(C[*:1])C(=O)c1cccnc1
CCC(CC)CN(CCC#N)C(=O)c1cccnc1 CCC(CC)C[*:1] N#CCCN(C(=O)c1cccnc1)[*:1]
C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1ccncc1 c1cc(ccn1)C[*:1] C[C@@H](c1ccc(cc1)S(N)(=O)=O)N(C)C[*:1]
C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1ccncc1 c1cc(ccn1)[*:1] C[C@@H](c1ccc(cc1)S(N)(=O)=O)N(C)CC[*:1]
C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCc1ccncc1 NS(=O)(=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)CCc1ccncc1
Cc1cccn2cc(CC(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)nc12 CC(C)(C)[*:1] Cc1cccn2cc(CC(=O)N[C@@H](C#N)c3ccc(cc3)[*:1])nc12
O=C(Cc1ccc(O)cc1)N[C@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(Cc1ccc(O)cc1)N[C@H]1C=C[C@H](C1)[*:1]
C[C@@]([NH2+]CC(=O)NC1CCCCCC1)(C(=O)[O-])C(F)(F)F C1CCCC(CC1)[*:1] C[C@@]([NH2+]CC(=O)N[*:1])(C(=O)[O-])C(F)(F)F
C[C@@]([NH2+]CC(=O)NC1CCCCCC1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@]([NH2+]CC(=O)NC1CCCCCC1)(C(F)(F)F)[*:1]
C[C@@]([NH2+]CC(=O)NC1CCCCCC1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@]([NH2+]CC(=O)NC1CCCCCC1)(C(=O)[O-])[*:1]
O=S(=O)(CCC1CC1)N1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] O=S(=O)(CCC1CC1)N1CCO[C@H](C1)[*:1]
O=S(=O)(CCC1CC1)N1CCO[C@H](c2ccccc2F)C1 C1CC1[*:1] O=S(=O)(CC[*:1])N1CCO[C@@H](C1)c1ccccc1F
O=S(=O)(CCC1CC1)N1CCO[C@H](c2ccccc2F)C1 C1CC1CC[*:1] O=S(=O)(N1CCO[C@@H](C1)c1ccccc1F)[*:1]
O=S(=O)(CCC1CC1)N1CCO[C@H](c2ccccc2F)C1 C1CC1C[*:1] O=S(=O)(C[*:1])N1CCO[C@@H](C1)c1ccccc1F
O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2F)C1 C1CC1[*:1] O=C(O[C@@H](C(=O)N[*:1])c1ccccc1)[C@H]1CC(=O)N(C1)c1ccccc1F
O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2F)C1 O=C(NC1CC1)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1F
O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2F)C1 c1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)NC1CC1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1F
CCc1ncncc1C(=O)N1CCC[C@H](c2nc(C)no2)C1 Cc1noc(n1)[*:1] CCc1ncncc1C(=O)N1CCC[C@H](C1)[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)n2)cc1 CC(=O)N[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)C[*:1])[C@H]1CC(=O)N(C1)c1ccccc1F
CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)n2)cc1 Fc1ccccc1[*:1] CC(=O)NCc1ccc(cc1)-c1csc(n1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)n2)cc1 CC(=O)NC[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1F
O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)C1c2ccccc2Oc2ccccc21 c1ccc(cc1)[*:1] O=C(NC[C@@](O)(C(F)(F)F)[*:1])C1c2ccccc2Oc2ccccc21
O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)C1c2ccccc2Oc2ccccc21 FC(F)(F)[*:1] O=C(NC[C@@](O)(c1ccccc1)[*:1])C1c2ccccc2Oc2ccccc21
O=C(CCSc1nnnn1C1CCCCC1)N1CCc2ccccc21 C1CCC(CC1)[*:1] O=C(CCSc1nnnn1[*:1])N1CCc2ccccc21
CC(C)/C(=C\c1cc(F)ccc1F)C[NH2+]C1CC1 C1CC1[*:1] CC(C)/C(=C\c1cc(F)ccc1F)C[NH2+][*:1]
CC(C)/C(=C\c1cc(F)ccc1F)C[NH2+]C1CC1 CC(C)[*:1] Fc1ccc(F)c(/C=C(/C[NH2+]C2CC2)[*:1])c1
CCCOc1cccc(CC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1 CCCO[*:1] NC(=O)[C@@H]1CCN(C(=O)Cc2cccc(c2)[*:1])c2ccccc21
CCCOc1cccc(CC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1 NC(=O)[*:1] CCCOc1cccc(c1)CC(=O)N1CC[C@@H](c2ccccc21)[*:1]
CCCOc1cccc(CC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1 CCC[*:1] NC(=O)[C@@H]1CCN(C(=O)Cc2cccc(c2)O[*:1])c2ccccc21
CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1 O=C([O-])[*:1] CC(C)(C)c1ccc(cc1)OCC(=O)NNC(=O)[C@H]1[C@@H]([C@@H]2C=C[C@H]1C2)[*:1]
CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1 CC(C)(C)[*:1] O=C(COc1ccc(cc1)[*:1])NNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2
COc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(N4CCCC4=O)c3)CC2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1N1CCCC1=O)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(N4CCCC4=O)c3)CC2=O)cc1 O=C1CCCN1[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccc(C)c(c1)[*:1]
CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 CN(C)S(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 c1cc2OCCOc2cc1[*:1] CN(C)S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccccc4Cl)c3)nn12 Clc1ccccc1[*:1] CCc1nnc2sc(nn12)-c1cccc(c1)NC(=S)NC(=O)[*:1]
O=Cc1ccc(OCCC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 O=Cc1ccc(cc1)[*:1] O=C(CCO[*:1])N1CCN(CC1)c1cc[nH+]cc1
C[C@H]1CCCN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)[C@H]1CO FC(F)(F)[*:1] C[C@H]1CCCN(C(=O)Nc2ccc(cc2)CC[*:1])[C@H]1CO
C[C@H]1CCCN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)[C@H]1CO FC(F)(F)CC[*:1] C[C@H]1CCCN(C(=O)Nc2ccc(cc2)[*:1])[C@H]1CO
C[C@H]1CCCN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)[C@H]1CO FC(F)(F)C[*:1] C[C@H]1CCCN(C(=O)Nc2ccc(cc2)C[*:1])[C@H]1CO
CCOC(=O)c1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1 CCOC(=O)[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1ccc(cc1)[*:1])C1CC1
CCOC(=O)c1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1 c1coc(c1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)N(C1CC1)[C@@H](C)[*:1]
CCOC(=O)c1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1 C1CC1[*:1] CCOC(=O)c1ccc(cc1)NC(=O)N([C@@H](C)c1ccco1)[*:1]
COC[C@@H]1CCN(c2[nH]c3ccc(N)cc3[nH+]2)C1 COC[*:1] Nc1ccc2[nH]c([nH+]c2c1)N1CC[C@H](C1)[*:1]
CCc1cccc(C)c1NC(=O)CSc1nnc(SC)s1 CSc1nnc(s1)[*:1] CCc1cccc(C)c1NC(=O)CS[*:1]
O=C(CC1CCCC1)NCC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O O=C(CC1CCCC1)N[*:1] O=C(C[*:1])N[C@H]1CCCN(C1=O)c1ccccc1F
O=C(CC1CCCC1)NCC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O C1CCC(C1)[*:1] O=C(C[*:1])NCC(=O)N[C@H]1CCCN(C1=O)c1ccccc1F
O=C(CC1CCCC1)NCC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O C1CCC(C1)C[*:1] O=C(CNC(=O)[*:1])N[C@H]1CCCN(C1=O)c1ccccc1F
O=C(CC1CCCC1)NCC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] O=C(CC1CCCC1)NCC(=O)N[C@H]1CCCN(C1=O)[*:1]
CCC(CC)N(C(=O)[C@@H]1CC(=O)Nc2ccccc21)C1CC1 CCC(CC)[*:1] O=C1C[C@@H](C(=O)N(C2CC2)[*:1])c2ccccc2N1
CCC(CC)N(C(=O)[C@@H]1CC(=O)Nc2ccccc21)C1CC1 C1CC1[*:1] CCC(CC)N(C(=O)[C@@H]1CC(=O)Nc2ccccc21)[*:1]
CCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1 CCO[*:1] Cc1ccc(c(c1)S(=O)(=O)N1CCC[C@@H](C1)N1CCNC1=O)[*:1]
CCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1 O=C1NCCN1[*:1] CCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C1)[*:1]
O=S(=O)(CC1CCOCC1)N[C@H](CO)c1ccc(Cl)cc1 C1CC(CCO1)[*:1] O=S(=O)(C[*:1])N[C@H](CO)c1ccc(Cl)cc1
O=S(=O)(CC1CCOCC1)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(CC1CCOCC1)N[C@H](CO)[*:1]
O=S(=O)(CC1CCOCC1)N[C@H](CO)c1ccc(Cl)cc1 C1CC(CCO1)C[*:1] O=S(=O)(N[C@H](CO)c1ccc(Cl)cc1)[*:1]
Cc1nonc1OCCNC(=O)c1ccc2nc(-c3ccccc3)cn2c1 Cc1nonc1O[*:1] O=C(NCC[*:1])c1ccc2nc(cn2c1)-c1ccccc1
Cc1nonc1OCCNC(=O)c1ccc2nc(-c3ccccc3)cn2c1 Cc1nonc1OCC[*:1] O=C(N[*:1])c1ccc2nc(cn2c1)-c1ccccc1
Cc1nonc1OCCNC(=O)c1ccc2nc(-c3ccccc3)cn2c1 Cc1nonc1OC[*:1] O=C(NC[*:1])c1ccc2nc(cn2c1)-c1ccccc1
Cc1nonc1OCCNC(=O)c1ccc2nc(-c3ccccc3)cn2c1 c1ccc(cc1)[*:1] Cc1nonc1OCCNC(=O)c1ccc2nc(cn2c1)[*:1]
Cc1nonc1OCCNC(=O)c1ccc2nc(-c3ccccc3)cn2c1 Cc1nonc1[*:1] O=C(NCCO[*:1])c1ccc2nc(cn2c1)-c1ccccc1
Cc1[nH]nc(C(=O)N2CCCN(C(=O)C(C)(C)C)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1[nH]nc(C(=O)N2CCCN(CC2)C(=O)C(C)(C)C)c1[*:1]
Cc1[nH]nc(C(=O)N2CCCN(C(=O)C(C)(C)C)CC2)c1[N+](=O)[O-] CC(C)(C)[*:1] Cc1[nH]nc(C(=O)N2CCCN(CC2)C(=O)[*:1])c1[N+](=O)[O-]
Cc1cc(Br)cnc1N1CCC[C@H]1CCC[NH3+] [NH3+]CCC[*:1] Cc1cc(Br)cnc1N1CCC[C@@H]1[*:1]
CCC1(CC)CN(CCOC)c2ccccc2C[NH2+]1 COC[*:1] CCC1(CC)CN(C[*:1])c2ccccc2C[NH2+]1
CCC1(CC)CN(CCOC)c2ccccc2C[NH2+]1 COCC[*:1] CCC1(CC)CN(c2ccccc2C[NH2+]1)[*:1]
CCC[NH2+][C@@]1(CO)CC[C@H](Sc2cccc(OC)c2)C1 CCC[*:1] COc1cccc(c1)S[C@H]1CC[C@@](CO)(C1)[NH2+][*:1]
Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)CCc1nc(-c2ccco2)no1 c1coc(c1)[*:1] Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)CCc1nc(no1)[*:1]
Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)CCc1nc(-c2ccco2)no1 Cc1c(Cl)cccc1[*:1] O=C(CCc1nc(no1)-c1ccco1)N1CCSC1=N[*:1]
CC(C)(C)c1noc(CCC(=O)NCC(C)(C)c2ccncc2)n1 CC(C)(C)[*:1] CC(C)(CNC(=O)CCc1nc(no1)[*:1])c1ccncc1
CC(C)(C)c1noc(CCC(=O)NCC(C)(C)c2ccncc2)n1 c1cc(ccn1)[*:1] CC(C)(C)c1noc(CCC(=O)NCC(C)(C)[*:1])n1
CCC[NH2+]C[C@@](C)(O)c1ccc(Cl)c(OC)c1 CCC[*:1] COc1cc(ccc1Cl)[C@](C)(O)C[NH2+][*:1]
CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C(C)=O)c1C CC(C)(C)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc(C(C)=O)c1C
CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C(C)=O)c1C CCOC(=O)[*:1] CC(=O)c1sc(NC(=O)C(C)(C)C)c(c1C)[*:1]
CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C(C)=O)c1C CC(C)(C)C(=O)N[*:1] CCOC(=O)c1c(sc(C(C)=O)c1C)[*:1]
CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C(C)=O)c1C CC(=O)[*:1] CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(c1C)[*:1]
COC(=O)c1ccc(CNCCNC(C)=O)nc1 COC(=O)[*:1] CC(=O)NCCNCc1ccc(cn1)[*:1]
COC(=O)c1ccc(CNCCNC(C)=O)nc1 CC(=O)NCC[*:1] COC(=O)c1ccc(CN[*:1])nc1
COC(=O)c1ccc(CNCCNC(C)=O)nc1 CC(=O)NC[*:1] COC(=O)c1ccc(CNC[*:1])nc1
COC(=O)c1ccc(CNCCNC(C)=O)nc1 CC(=O)N[*:1] COC(=O)c1ccc(CNCC[*:1])nc1
COc1cc2c(C(=O)Nc3ccc(F)cc3F)cn(CC(C)C)c(=O)c2cc1OC CC(C)C[*:1] COc1cc2c(cn(c(=O)c2cc1OC)[*:1])C(=O)Nc1ccc(F)cc1F
COc1cc2c(C(=O)Nc3ccc(F)cc3F)cn(CC(C)C)c(=O)c2cc1OC Fc1ccc(c(F)c1)[*:1] COc1cc2c(cn(CC(C)C)c(=O)c2cc1OC)C(=O)N[*:1]
COc1cc2c(C(=O)Nc3ccc(F)cc3F)cn(CC(C)C)c(=O)c2cc1OC CC(C)[*:1] COc1cc2c(cn(C[*:1])c(=O)c2cc1OC)C(=O)Nc1ccc(F)cc1F
COC(=O)[C@H]1CN(Cc2ccc(-c3nc4ccccc4s3)o2)CCO1 COC(=O)[*:1] c1ccc2sc(nc2c1)-c1ccc(CN2CCO[C@H](C2)[*:1])o1
Cc1cccc2c(CC(=O)NC3(c4cccc(F)c4)CC3)c[nH]c12 Fc1cccc(c1)[*:1] Cc1cccc2c(c[nH]c12)CC(=O)NC1(CC1)[*:1]
Cc1ccc(C(=O)N[C@@H](C)CCCO)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@@H](C)CCCO
Cc1ccc(C(=O)N[C@@H](C)CCCO)cc1[N+](=O)[O-] OCCC[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N[C@@H](C)[*:1]
Cc1ccc(C(=O)N[C@@H](C)CCCO)cc1[N+](=O)[O-] C[C@@H](CCCO)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(C(=O)N[C@@H](C)CCCO)cc1[N+](=O)[O-] OCC[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N[C@@H](C)C[*:1]
CC(C)(C)C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)o1 CC(C)(C)C(=O)N[*:1] O=C1C[C@H](CN1c1ccc(F)cc1)c1nnc(o1)[*:1]
CC(C)(C)C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)o1 Fc1ccc(cc1)[*:1] CC(C)(C)C(=O)Nc1nnc(o1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)(C)C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)o1 CC(C)(C)[*:1] O=C1C[C@H](CN1c1ccc(F)cc1)c1nnc(NC(=O)[*:1])o1
Cc1nc(CCNC(=O)Nc2cncc3ccccc23)cs1 Cc1nc(cs1)[*:1] O=C(NCC[*:1])Nc1cncc2ccccc12
Cc1nc(CCNC(=O)Nc2cncc3ccccc23)cs1 Cc1nc(cs1)C[*:1] O=C(NC[*:1])Nc1cncc2ccccc12
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(nn1-c1ccccc1)[*:1]
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(nn1[*:1])-c1ccccc1
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(-c2ccccc2)nn1-c1ccccc1 CCOC(=O)[*:1] CC1NC(=O)N[C@@H](C=1[*:1])c1cc(nn1-c1ccccc1)-c1ccccc1
O=C(NCCC(=O)N1CCCCCC1)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCCC(=O)N1CCCCCC1)c1ncccc1[*:1]
CCN(C(=O)c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)c1ccc(F)cc1)[*:1]
CC(=O)c1cc(Cl)ccc1OCc1cc(=O)n2ccccc2n1 CC(=O)[*:1] O=c1cc(COc2ccc(Cl)cc2[*:1])nc2ccccn12
CNC(=O)NCC(=O)N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 CNC(=O)N[*:1] C[C@H]1CN(CC2CCN(CC2)C(=O)C[*:1])C[C@@H](C)O1
CNC(=O)NCC(=O)N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 CNC(=O)NC[*:1] C[C@H]1CN(CC2CCN(CC2)C(=O)[*:1])C[C@@H](C)O1
CN(Cc1ccccc1)C(=O)c1cccnc1-n1cncn1 c1ncn(n1)[*:1] CN(Cc1ccccc1)C(=O)c1cccnc1[*:1]
CN(Cc1ccccc1)C(=O)c1cccnc1-n1cncn1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cccnc1-n1cncn1
CN(Cc1ccccc1)C(=O)c1cccnc1-n1cncn1 c1ccc(cc1)C[*:1] CN(C(=O)c1cccnc1-n1cncn1)[*:1]
CCCOc1ccc(C(=O)N2CC[C@H](O)C2)cc1OCCC CCC[*:1] CCCOc1cc(ccc1O[*:1])C(=O)N1CC[C@H](O)C1
CCCOc1ccc(C(=O)N2CC[C@H](O)C2)cc1OCCC CCC[*:1] CCCOc1ccc(cc1O[*:1])C(=O)N1CC[C@H](O)C1
CCCOc1ccc(C(=O)N2CC[C@H](O)C2)cc1OCCC CCCO[*:1] CCCOc1ccc(cc1[*:1])C(=O)N1CC[C@H](O)C1
CCCOc1ccc(C(=O)N2CC[C@H](O)C2)cc1OCCC CCCO[*:1] CCCOc1cc(ccc1[*:1])C(=O)N1CC[C@H](O)C1
Cc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)[*:1])CN1CCc1c[nH]c[nH+]1
FC(F)(F)COc1nc(Br)cs1 FC(F)(F)[*:1] Brc1csc(n1)OC[*:1]
COc1cccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCC2CC2)c1OC Clc1cccc(c1)[*:1] COc1cccc(c1OC)[C@@H]1CN(C[C@H]1C(=O)NCC1CC1)C(=O)[*:1]
COc1cccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCC2CC2)c1OC C1CC1[*:1] COc1cccc(c1OC)[C@@H]1CN(C[C@H]1C(=O)NC[*:1])C(=O)c1cccc(Cl)c1
COc1cccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCC2CC2)c1OC O=C(NCC1CC1)[*:1] COc1cccc(c1OC)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cccc(Cl)c1
COc1cccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCC2CC2)c1OC C1CC1C[*:1] COc1cccc(c1OC)[C@@H]1CN(C[C@H]1C(=O)N[*:1])C(=O)c1cccc(Cl)c1
COc1cccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCC2CC2)c1OC COc1cccc(c1OC)[*:1] O=C(NCC1CC1)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1cccc(Cl)c1
Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)COCc3ccco3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)COCc2ccco2)C1=O)[*:1]
Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)COCc3ccco3)C2=O)cc1 c1coc(c1)COC[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(C[C@@H](O)[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)COCc3ccco3)C2=O)cc1 c1coc(c1)CO[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(C[C@@H](O)C[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)COCc3ccco3)C2=O)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(C[C@@H](O)COC[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)COCc3ccco3)C2=O)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(C[C@@H](O)CO[*:1])C1=O
C[C@H](NC(=O)C[NH+]1CCCCCCC1)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)C[NH+]1CCCCCCC1)[*:1]
Nc1c(Nc2cccc3cccnc23)ncnc1Oc1ccc(Br)c2cccnc12 c1cnc2c(cccc2c1)[*:1] Nc1c(ncnc1Oc1ccc(Br)c2cccnc12)N[*:1]
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)n1 Cc1cc(C)nc(n1)[*:1] O=C(CS[*:1])Nc1ncc(Cc2ccccc2Cl)s1
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)n1 Clc1ccccc1[*:1] Cc1cc(C)nc(n1)SCC(=O)Nc1ncc(C[*:1])s1
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)n1 Clc1ccccc1C[*:1] Cc1cc(C)nc(n1)SCC(=O)Nc1ncc(s1)[*:1]
CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2 c1ccc(cc1)[*:1] CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCO[*:1])C(=O)[C@@H]13)O2
CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2 c1ccc(cc1)OC[*:1] CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@@H]13)O2
CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2 c1ccc(cc1)O[*:1] CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC[*:1])C(=O)[C@@H]13)O2
CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCOc4ccccc4)C(=O)[C@@H]13)O2 c1ccc(cc1)OCC[*:1] CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
CCCn1nnnc1CSc1nc(C)cc(C(F)(F)F)c1C#N FC(F)(F)[*:1] CCCn1nnnc1CSc1nc(C)cc(c1C#N)[*:1]
CCCn1nnnc1CSc1nc(C)cc(C(F)(F)F)c1C#N CCC[*:1] Cc1cc(c(C#N)c(n1)SCc1nnnn1[*:1])C(F)(F)F
CCCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CC CCCO[*:1] CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1[*:1]
CCCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CC CCC[*:1] CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1O[*:1]
CCN(C(=O)C[C@H]1CCS(=O)(=O)C1)[C@H](C)c1cccc(OC)c1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)C[*:1])[C@H](C)c1cccc(c1)OC
Cc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1 Cc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[*:1]
Cc1cccc(CN(C)[C@@H](C[NH3+])c2ccc(F)cc2F)n1 Cc1cccc(n1)[*:1] CN(C[*:1])[C@@H](C[NH3+])c1ccc(F)cc1F
C[C@H]1CN(C(=O)c2ccc(N3CCCCCC3)nc2)C[C@@H](C)O1 C1CCCN(CC1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(nc1)[*:1]
CCc1ccc(CC(C)(C)O)nc1 CC(C)(O)[*:1] CCc1ccc(C[*:1])nc1
CCC(CC)[C@H](C)n1c(=S)[nH]c2ccc(C)cc21 CCC(CC)[*:1] Cc1ccc2[nH]c(=S)n(c2c1)[C@@H](C)[*:1]
C#CCNC(=O)CN1CC[C@H](C)c2ccccc21 C#CC[*:1] C[C@H]1CCN(CC(=O)N[*:1])c2ccccc21
C#CCNC(=O)CN1CC[C@H](C)c2ccccc21 C#CCNC(=O)[*:1] C[C@H]1CCN(C[*:1])c2ccccc21
O=C1CNc2ccc(C(=O)N3CCC[C@H](c4ccc(C(=O)[O-])cc4)C3)cc2N1 O=C([O-])c1ccc(cc1)[*:1] O=C1CNc2ccc(cc2N1)C(=O)N1CCC[C@H](C1)[*:1]
O=C1CNc2ccc(C(=O)N3CCC[C@H](c4ccc(C(=O)[O-])cc4)C3)cc2N1 O=C([O-])[*:1] O=C1CNc2ccc(cc2N1)C(=O)N1CCC[C@@H](C1)c1ccc(cc1)[*:1]
COCC(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 COCC(=O)N[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(cc1)[*:1]
COCC(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 COC[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(cc1)NC(=O)[*:1]
Cc1cc(NC(=O)CN2C(=O)CCOc3ccccc32)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(CN1C(=O)CCOc2ccccc21)N[*:1]
O=C(NC1CCCC1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 c1ccc(cc1)[*:1] O=C(NC1CCCC1)C1CCN(CC1)c1ccc(nn1)[*:1]
O=C(NC1CCCC1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 O=C(NC1CCCC1)[*:1] c1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)[*:1]
O=C(NC1CCCC1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 C1CCC(C1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(nn1)-c1ccccc1
Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)N2CCc3ccccc3C2)N(C)S(=O)(=O)N1 Cc1nn(C)cc1[*:1] CN1[C@H](C[C@H](NS1(=O)=O)[*:1])C(=O)N1CCc2ccccc2C1
O=C1NCCCN1C1CC[NH+](CC2=Cc3cc(Cl)ccc3OC2)CC1 O=C1NCCCN1[*:1] Clc1ccc2OCC(=Cc2c1)C[NH+]1CCC(CC1)[*:1]
C[C@H]1CCOCCN1C(=O)NCc1ccccc1-n1cccn1 c1cnn(c1)[*:1] C[C@H]1CCOCCN1C(=O)NCc1ccccc1[*:1]
CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1c(C)noc1C Fc1ccc(cc1)[*:1] CCN(CC(=O)NC[*:1])S(=O)(=O)c1c(C)noc1C
CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1c(C)noc1C Cc1noc(C)c1[*:1] CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)[*:1]
CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1c(C)noc1C Fc1ccc(cc1)C[*:1] CCN(CC(=O)N[*:1])S(=O)(=O)c1c(C)noc1C
Cc1cc(OC(=O)c2ccccc2)ccc1C#CC#CCN1CCOCC1 C1CN(CCO1)[*:1] Cc1cc(ccc1C#CC#CC[*:1])OC(=O)c1ccccc1
Cc1cc(OC(=O)c2ccccc2)ccc1C#CC#CCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1cc(ccc1C#CC#C[*:1])OC(=O)c1ccccc1
Cc1cc(OC(=O)c2ccccc2)ccc1C#CC#CCN1CCOCC1 c1ccc(cc1)[*:1] Cc1cc(ccc1C#CC#CCN1CCOCC1)OC(=O)[*:1]
Cc1cc(OC(=O)c2ccccc2)ccc1C#CC#CCN1CCOCC1 O=C(O[*:1])c1ccccc1 Cc1cc(ccc1C#CC#CCN1CCOCC1)[*:1]
COc1ccccc1NC(=O)NCCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccccc1NC(=O)NCCc1ccc(cc1)[*:1]
COc1ccccc1NC(=O)NCCc1ccc(C(F)(F)F)cc1 COc1ccccc1[*:1] O=C(NCCc1ccc(cc1)C(F)(F)F)N[*:1]
Cc1ccnc(NC[C@@](C)(O)CN2CCOCC2)c1[N+](=O)[O-] C1CN(CCO1)[*:1] Cc1ccnc(NC[C@@](C)(O)C[*:1])c1[N+](=O)[O-]
Cc1ccnc(NC[C@@](C)(O)CN2CCOCC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccnc(NC[C@@](C)(O)CN2CCOCC2)c1[*:1]
Cc1ccnc(NC[C@@](C)(O)CN2CCOCC2)c1[N+](=O)[O-] C1CN(CCO1)C[*:1] Cc1ccnc(NC[C@@](C)(O)[*:1])c1[N+](=O)[O-]
CCCCN1CNC(=S)N(c2ccccc2C)C1 CCCC[*:1] Cc1ccccc1N1CN(CNC1=S)[*:1]
CCCCN1CNC(=S)N(c2ccccc2C)C1 CCC[*:1] Cc1ccccc1N1CN(CNC1=S)C[*:1]
CS(=O)(=O)CC[C@H](NC(=O)Cc1ccn[nH]1)C(=O)[O-] CS(=O)(=O)C[*:1] O=C(Cc1ccn[nH]1)N[C@@H](C[*:1])C(=O)[O-]
CS(=O)(=O)CC[C@H](NC(=O)Cc1ccn[nH]1)C(=O)[O-] c1cc(C[*:1])[nH]n1 CS(=O)(=O)CC[C@H](NC(=O)[*:1])C(=O)[O-]
CS(=O)(=O)CC[C@H](NC(=O)Cc1ccn[nH]1)C(=O)[O-] O=C([O-])[*:1] CS(=O)(=O)CC[C@H](NC(=O)Cc1ccn[nH]1)[*:1]
CS(=O)(=O)CC[C@H](NC(=O)Cc1ccn[nH]1)C(=O)[O-] CS(=O)(=O)CC[*:1] O=C(Cc1ccn[nH]1)N[C@H](C(=O)[O-])[*:1]
CS(=O)(=O)CC[C@H](NC(=O)Cc1ccn[nH]1)C(=O)[O-] CS(=O)(=O)[*:1] O=C(Cc1ccn[nH]1)N[C@@H](CC[*:1])C(=O)[O-]
CS(=O)(=O)CC[C@H](NC(=O)Cc1ccn[nH]1)C(=O)[O-] c1cc([nH]n1)[*:1] CS(=O)(=O)CC[C@H](NC(=O)C[*:1])C(=O)[O-]
O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)N1CCN(CC1)Cc1nc(cs1)[*:1]
O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])N1CCN(CC1)Cc1nc(cs1)-c1ccc(Cl)cc1
O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 Clc1ccc(cc1)C[*:1] O=C(N[*:1])N1CCN(CC1)Cc1nc(cs1)-c1ccc(Cl)cc1
COc1ccc([C@H](NC(=O)C2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@H](NC(=O)C1CCN(CC1)C(=O)[*:1])C(C)C
COc1ccc([C@H](NC(=O)C2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)C1CCN(CC1)C(=O)c1ccco1)[*:1]
COc1ccc([C@H](NC(=O)C2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccco1)[*:1]
O=C(/N=C1/c2ccccc2CN1c1ncccn1)c1cccs1 c1cnc(nc1)[*:1] O=C(/N=C1/c2ccccc2CN1[*:1])c1cccs1
O=C(/N=C1/c2ccccc2CN1c1ncccn1)c1cccs1 c1csc(c1)[*:1] O=C(/N=C1/c2ccccc2CN1c1ncccn1)[*:1]
Cc1ccc(C)c(Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)ccc2=O)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCC1)-c1ccc(=O)n(C[*:1])n1
Cc1ccc(C)c(Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)ccc2=O)c1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(C)c(c1)Cn1nc(ccc1=O)-c1ccc(C)c(c1)[*:1]
Cc1ccc(C)c(Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)ccc2=O)c1 Cc1ccc(C)c(c1)C[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCC1)-c1ccc(=O)n(n1)[*:1]
C=CCNC(=O)CSc1ncnc2c1nnn2CC C=CC[*:1] CCn1nnc2c(ncnc21)SCC(=O)N[*:1]
C=CCNC(=O)CSc1ncnc2c1nnn2CC C=CCNC(=O)[*:1] CCn1nnc2c(ncnc21)SC[*:1]
COCc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] COCc1cccc(c1)C(=O)N1C[C@@H](O)C[C@H]1[*:1]
COCc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 COC[*:1] O=C([O-])[C@H]1C[C@H](O)CN1C(=O)c1cccc(c1)[*:1]
CC(C)(CNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccncc1 NC(=O)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccc(F)c(c1)[*:1])c1ccncc1
CC(C)(CNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccc(F)c(c1)C(N)=O)[*:1]
CC[C@H](NC(=O)C(C)(C)F)C(=O)N1CCOCC1 CC(C)(F)[*:1] CC[C@H](NC(=O)[*:1])C(=O)N1CCOCC1
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc2c(c1)COC2 CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CC(=O)Nc1ccc2COCc2c1
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc2c(c1)COC2 CC(C)C[*:1] Cc1nn(c(C)c1CC(=O)Nc1ccc2COCc2c1)[*:1]
Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)[*:1] Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C1)C(=O)CC[*:1]
Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 c1cn(cn1)C[*:1] Cn1c(nnc1[*:1])[C@@H]1CCCN(C1)C(=O)CCc1ccccc1
Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)C[*:1] Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C1)C(=O)C[*:1]
Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C1)C(=O)[*:1]
Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 c1cn(cn1)[*:1] Cn1c(C[*:1])nnc1[C@@H]1CCCN(C1)C(=O)CCc1ccccc1
O=C(Cc1cccs1)NCCn1nc(-c2ccccc2)ccc1=O c1csc(c1)[*:1] O=C(C[*:1])NCCn1nc(ccc1=O)-c1ccccc1
O=C(Cc1cccs1)NCCn1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] O=C(Cc1cccs1)NCCn1nc(ccc1=O)[*:1]
O=C(Cc1cccs1)NCCn1nc(-c2ccccc2)ccc1=O c1csc(c1)C[*:1] O=C(NCCn1nc(ccc1=O)-c1ccccc1)[*:1]
C=CCCOC(=O)c1cn(C)nc1-c1ccc(F)cc1F C=CCCOC(=O)[*:1] Cn1cc(c(n1)-c1ccc(F)cc1F)[*:1]
C=CCCOC(=O)c1cn(C)nc1-c1ccc(F)cc1F C=CC[*:1] Cn1cc(C(=O)OC[*:1])c(n1)-c1ccc(F)cc1F
C=CCCOC(=O)c1cn(C)nc1-c1ccc(F)cc1F C=CCC[*:1] Cn1cc(C(=O)O[*:1])c(n1)-c1ccc(F)cc1F
O=C(Nc1nc2c(s1)C(=O)CCC2)c1cccc(OCC(F)F)n1 FC(F)C[*:1] O=C(Nc1nc2CCCC(=O)c2s1)c1cccc(n1)O[*:1]
O=C(Nc1nc2c(s1)C(=O)CCC2)c1cccc(OCC(F)F)n1 FC(F)[*:1] O=C(Nc1nc2CCCC(=O)c2s1)c1cccc(n1)OC[*:1]
O=C(Nc1nc2c(s1)C(=O)CCC2)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] O=C(Nc1nc2CCCC(=O)c2s1)c1cccc(n1)[*:1]
CCN(C(=O)c1cc[nH]n1)[C@H](C)c1ccc(C#N)cc1 c1cc(n[nH]1)[*:1] CCN(C(=O)[*:1])[C@H](C)c1ccc(C#N)cc1
O=C(Cc1ccccc1Cl)OCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=C(Cc1ccccc1Cl)OCc1ccc(cc1)[*:1]
O=C(Cc1ccccc1Cl)OCc1ccc(-n2cccn2)cc1 Clc1ccccc1[*:1] O=C(C[*:1])OCc1ccc(cc1)-n1cccn1
Cc1cc(C)cc(C2=CCN(C(=O)CCNC(N)=O)CC2)c1 NC(=O)N[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)CC[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)CCNC(N)=O)CC2)c1 NC(=O)NCC[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)CCNC(N)=O)CC2)c1 NC(=O)NC[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)C[*:1]
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cc1 CNC(=O)[*:1] O=C([C@H]1C[C@H]2CC[C@@H]1O2)N(Cc1ccc(cc1)[*:1])Cc1ccco1
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cc1 c1coc(c1)[*:1] CNC(=O)c1ccc(cc1)CN(C[*:1])C(=O)[C@H]1C[C@H]2CC[C@@H]1O2
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cc1 c1coc(c1)C[*:1] CNC(=O)c1ccc(cc1)CN(C(=O)[C@H]1C[C@H]2CC[C@@H]1O2)[*:1]
CCOc1ccc(C(=O)Nc2cnc(OC)nc2)cc1 CCO[*:1] COc1ncc(cn1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(-n2ncc(C(=O)O[C@H](C)[C@H]3CCOC3)c2C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cnn(c1C(F)(F)F)[*:1])[C@H]1CCOC1
Cc1ccc(-n2ncc(C(=O)O[C@H](C)[C@H]3CCOC3)c2C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-n1ncc(C(=O)O[C@H](C)[C@H]2CCOC2)c1[*:1]
CC(C)COc1ccc(C(=O)Nc2cccnc2)cc1 CC(C)CO[*:1] O=C(Nc1cccnc1)c1ccc(cc1)[*:1]
CC(C)COc1ccc(C(=O)Nc2cccnc2)cc1 c1cncc(c1)[*:1] CC(C)COc1ccc(cc1)C(=O)N[*:1]
CC(C)COc1ccc(C(=O)Nc2cccnc2)cc1 CC(C)[*:1] O=C(Nc1cccnc1)c1ccc(cc1)OC[*:1]
CC(C)COc1ccc(C(=O)Nc2cccnc2)cc1 CC(C)C[*:1] O=C(Nc1cccnc1)c1ccc(cc1)O[*:1]
[NH3+][C@@H](Cc1ccc(F)cc1C(F)(F)F)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@@H](Cc1ccc(F)cc1C(F)(F)F)[*:1]
[NH3+][C@@H](Cc1ccc(F)cc1C(F)(F)F)C(=O)[O-] FC(F)(F)[*:1] [NH3+][C@@H](Cc1ccc(F)cc1[*:1])C(=O)[O-]
Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)on1 C1CN(CCO1)[*:1] Cc1cc(on1)C(=O)Nc1cc(Cl)ccc1[*:1]
Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)on1 Cc1cc(on1)[*:1] O=C(Nc1cc(Cl)ccc1N1CCOCC1)[*:1]
CC(C)(C)Oc1cc(C(=O)NCCC2=CCOCC2)ccn1 CC(C)(C)[*:1] O=C(NCCC1=CCOCC1)c1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(C(=O)NCCC2=CCOCC2)ccn1 CC(C)(C)O[*:1] O=C(NCCC1=CCOCC1)c1ccnc(c1)[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCCC(=O)OC(C)C)C2 CC(C)OC(=O)C[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NC[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCCC(=O)OC(C)C)C2 CC(C)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NCCC(=O)O[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCCC(=O)OC(C)C)C2 CC(C)OC(=O)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NCC[*:1]
CCOCCC(=O)NNC(=O)c1ccc(OC)cc1 CCO[*:1] COc1ccc(cc1)C(=O)NNC(=O)CC[*:1]
CCOCCC(=O)NNC(=O)c1ccc(OC)cc1 CCOCC[*:1] COc1ccc(cc1)C(=O)NNC(=O)[*:1]
CCOCCC(=O)NNC(=O)c1ccc(OC)cc1 CCOC[*:1] COc1ccc(cc1)C(=O)NNC(=O)C[*:1]
CCOc1cc(/C=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC c1ccc(cc1)[*:1] CCOc1cc(/C=N/NC(=O)[C@H]2C(=O)NC[C@@H]2[*:1])ccc1OC
CCOc1cc(/C=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC CCO[*:1] COc1ccc(/C=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc1[*:1]
COc1ccccc1CCC(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 COc1ccccc1[*:1] O=C(CC[*:1])Nc1ccc2[nH]c(nc2c1)[C@H]1CCCO1
COc1ccccc1CCC(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 COc1ccccc1C[*:1] O=C(C[*:1])Nc1ccc2[nH]c(nc2c1)[C@H]1CCCO1
CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1Cl c1cncc(c1)[*:1] CCN(CC)C(=O)c1ccc(cc1Cl)NC(=O)[C@H]1CC(=O)N(C)[C@H]1[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1Cl CCN(CC)C(=O)[*:1] CN1C(=O)C[C@H](C(=O)Nc2ccc(c(Cl)c2)[*:1])[C@H]1c1cccnc1
N#CCOc1cccc(C[NH2+]Cc2csc3ccccc23)c1 N#CCO[*:1] c1cc(cc(c1)[*:1])C[NH2+]Cc1csc2ccccc12
N#CCOc1cccc(C[NH2+]Cc2csc3ccccc23)c1 N#CC[*:1] c1cc(cc(c1)O[*:1])C[NH2+]Cc1csc2ccccc12
O=C(C[NH+]1CCCC1)N1CCN(Cc2cncs2)CC1 c1ncc(s1)[*:1] O=C(C[NH+]1CCCC1)N1CCN(CC1)C[*:1]
O=C(C[NH+]1CCCC1)N1CCN(Cc2cncs2)CC1 c1ncc(C[*:1])s1 O=C(C[NH+]1CCCC1)N1CCN(CC1)[*:1]
CC(C)=C[C@H]1[C@H](C(=O)NCCS(=O)(=O)N2CCc3ccccc32)C1(C)C CC(C)=C[*:1] CC1(C)[C@@H](C(=O)NCCS(=O)(=O)N2CCc3ccccc32)[C@@H]1[*:1]
O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(F)c1 c1cncc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cccc(F)c1
O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1nc(cs1)-c1cccnc1)[*:1]
Cc1ncccc1NC(=O)N[C@H](c1ccccc1)C(C)(C)C CC(C)(C)[*:1] Cc1ncccc1NC(=O)N[C@H](c1ccccc1)[*:1]
Cc1ncccc1NC(=O)N[C@H](c1ccccc1)C(C)(C)C c1ccc(cc1)[*:1] Cc1ncccc1NC(=O)N[C@H](C(C)(C)C)[*:1]
Cc1ncccc1NC(=O)N[C@H](c1ccccc1)C(C)(C)C Cc1ncccc1[*:1] CC(C)(C)[C@H](NC(=O)N[*:1])c1ccccc1
C[C@]1(c2cccc(C#N)c2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CCO[*:1])C1=O)c1cccc(C#N)c1
C[C@]1(c2cccc(C#N)c2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)O[*:1] C[C@@]1(NC(=O)N(CC[*:1])C1=O)c1cccc(C#N)c1
C[C@]1(c2cccc(C#N)c2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O N#Cc1cccc(c1)[*:1] C[C@@]1(NC(=O)N(CCOc2ccc(Cl)cc2)C1=O)[*:1]
COc1ccccc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(=O)(=O)c1ccccc1 COc1ccccc1[*:1] O=C1CN(C(=O)CN(S(=O)(=O)c2ccccc2)[*:1])c2ccccc2N1
COc1ccccc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(=O)(=O)[*:1]
COCCN1C[C@H](C(=O)NCc2coc(-c3ccccc3)n2)CCC1=O COC[*:1] O=C(NCc1coc(n1)-c1ccccc1)[C@@H]1CCC(=O)N(C1)C[*:1]
COCCN1C[C@H](C(=O)NCc2coc(-c3ccccc3)n2)CCC1=O COCC[*:1] O=C(NCc1coc(n1)-c1ccccc1)[C@@H]1CCC(=O)N(C1)[*:1]
COCCN1C[C@H](C(=O)NCc2coc(-c3ccccc3)n2)CCC1=O c1ccc(cc1)[*:1] COCCN1C[C@@H](CCC1=O)C(=O)NCc1coc(n1)[*:1]
CCOC[C@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCOC[C@H]1CCN(C1)C(=O)N[C@H]1CCC[C@H]1[*:1]
CCOC[C@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 CCO[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccc(F)cc1)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 CCOC[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccc(F)cc1)N1CC[C@@H](C1)[*:1]
Cc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1C Cc1ccc(cc1C)[*:1] CC(C)[C@H](CNS(=O)(=O)[*:1])N1CC[NH+](C)CC1
Cc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1C CC(C)[*:1] Cc1ccc(cc1C)S(=O)(=O)NC[C@@H](N1CC[NH+](C)CC1)[*:1]
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(N2CCCC2=O)c1 CCC[*:1] O=C(Nc1cc(ccc1O[*:1])C(F)(F)F)c1cccc(c1)N1CCCC1=O
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(N2CCCC2=O)c1 FC(F)(F)[*:1] CCCOc1ccc(cc1NC(=O)c1cccc(c1)N1CCCC1=O)[*:1]
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] CCCOc1ccc(cc1NC(=O)c1cccc(c1)[*:1])C(F)(F)F
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(N2CCCC2=O)c1 CCCO[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)c1cccc(c1)N1CCCC1=O
C[C@@H](CNC(=O)c1ccco1)c1nc(-c2ccccc2)no1 c1coc(c1)[*:1] C[C@@H](CNC(=O)[*:1])c1nc(no1)-c1ccccc1
C[C@@H](CNC(=O)c1ccco1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1ccco1)c1nc(no1)[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] OC1C[C@H](c2sc(nc2N=1)N1CCCCC1)[*:1]
OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2ccccc2)C1 C1CCN(CC1)[*:1] OC1C[C@H](c2ccccc2)c2sc(nc2N=1)[*:1]
C/C=C/COC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 CC=C[*:1] CC(=O)N[C@H](CC(=O)OC[*:1])c1ccc(Br)cc1
C/C=C/COC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 CC(=O)N[*:1] C/C=C/COC(=O)C[C@@H](c1ccc(Br)cc1)[*:1]
C/C=C/COC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 C/C=C/C[*:1] CC(=O)N[C@H](CC(=O)O[*:1])c1ccc(Br)cc1
CC(C)(CCl)C(=O)Nc1c(C(N)=O)oc2ccccc12 NC(=O)[*:1] CC(C)(CCl)C(=O)Nc1c(oc2ccccc12)[*:1]
CC(C)(CCl)C(=O)Nc1c(C(N)=O)oc2ccccc12 CC(C)(CCl)[*:1] NC(=O)c1oc2ccccc2c1NC(=O)[*:1]
Cc1cccc(Cl)c1NC(=O)NCCS(=O)(=O)CC(C)C CC(C)[*:1] Cc1cccc(Cl)c1NC(=O)NCCS(=O)(=O)C[*:1]
Cc1cccc(Cl)c1NC(=O)NCCS(=O)(=O)CC(C)C CC(C)CS(=O)(=O)[*:1] Cc1cccc(Cl)c1NC(=O)NCC[*:1]
Cc1cccc(Cl)c1NC(=O)NCCS(=O)(=O)CC(C)C CC(C)C[*:1] Cc1cccc(Cl)c1NC(=O)NCCS(=O)(=O)[*:1]
C[C@@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] C[C@@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)[*:1]
COc1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)c(OC)c1OC CC(C)[*:1] COc1ccc(c(OC)c1OC)[C@H]1CC(O)=Nc2c1c(=O)[nH]n2[*:1]
COc1ccc(OC)c(CCNC(=O)Nc2ccccc2-n2cccn2)c1 c1cnn(c1)[*:1] COc1ccc(OC)c(c1)CCNC(=O)Nc1ccccc1[*:1]
CNC(=O)c1ccc(CNC(=O)NCCc2cccc(C(=O)NC)c2)cc1 CNC(=O)[*:1] CNC(=O)c1ccc(cc1)CNC(=O)NCCc1cccc(c1)[*:1]
CNC(=O)c1ccc(CNC(=O)NCCc2cccc(C(=O)NC)c2)cc1 CNC(=O)[*:1] CNC(=O)c1cccc(c1)CCNC(=O)NCc1ccc(cc1)[*:1]
Cc1nc(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)no1 CS(=O)(=O)[*:1] Cc1nc(CNc2cc(Cl)ccc2OCC[*:1])no1
Cc1nc(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)no1 Cc1nc(C[*:1])no1 CS(=O)(=O)CCOc1ccc(Cl)cc1N[*:1]
Cc1nc(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)no1 CS(=O)(=O)C[*:1] Cc1nc(CNc2cc(Cl)ccc2OC[*:1])no1
Cc1nc(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)no1 CS(=O)(=O)CCO[*:1] Cc1nc(CNc2cc(Cl)ccc2[*:1])no1
Cc1nc(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)no1 CS(=O)(=O)CC[*:1] Cc1nc(CNc2cc(Cl)ccc2O[*:1])no1
Cc1nc(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)no1 Cc1nc(no1)[*:1] CS(=O)(=O)CCOc1ccc(Cl)cc1NC[*:1]
N#CCSc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 C1CC1[*:1] N#CCSc1cccc(c1)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
N#CCSc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 N#CC[*:1] O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cccc(c1)S[*:1]
N#CCSc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 N#CCS[*:1] O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cccc(c1)[*:1]
N#CCSc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 Clc1ccc(cc1)[*:1] N#CCSc1cccc(c1)C(=O)N[C@H](C1CC1)[*:1]
Cc1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc1OC(C)C O=C([O-])[*:1] Cc1cc(ccc1OC(C)C)S(=O)(=O)N[C@@H](CO)[*:1]
Cc1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])S(=O)(=O)N[C@@H](CO)C(=O)[O-]
Cc1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)N[C@@H](CO)C(=O)[O-]
O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc[nH]1 O=C(c1ccc[nH]1)[*:1] O=c1[nH]c2ccccc2n1C1CCN(CC1)C[*:1]
O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc[nH]1 O=C(C[*:1])c1ccc[nH]1 O=c1[nH]c2ccccc2n1C1CCN(CC1)[*:1]
O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(CN1CCC(CC1)n1c(=O)[nH]c2ccccc21)[*:1]
C/C(=C/CC[NH2+]C(C)C)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C/C(=C/CC[NH2+]C(C)C)c1ccccc1[*:1]
C/C(=C/CC[NH2+]C(C)C)c1ccccc1C(F)(F)F CC(C)[*:1] C/C(=C/CC[NH2+][*:1])c1ccccc1C(F)(F)F
CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cc(-c2ccco2)on1 CC(C)[*:1] O=C(N[C@H](Cn1nc(ccc1=O)-c1cccs1)[*:1])c1cc(on1)-c1ccco1
CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cc(-c2ccco2)on1 c1csc(c1)[*:1] CC(C)[C@@H](Cn1nc(ccc1=O)[*:1])NC(=O)c1cc(on1)-c1ccco1
CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cc(-c2ccco2)on1 c1coc(c1)-c1cc(no1)[*:1] CC(C)[C@@H](Cn1nc(ccc1=O)-c1cccs1)NC(=O)[*:1]
CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cc(-c2ccco2)on1 c1coc(c1)[*:1] CC(C)[C@@H](Cn1nc(ccc1=O)-c1cccs1)NC(=O)c1cc(on1)[*:1]
CCn1c(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)nc2sc(C)c(C)c2c1=O C[C@H](C[*:1])c1ccccc1 CCn1c(nc2sc(C)c(C)c2c1=O)S[C@H](C)C(=O)N[*:1]
CCn1c(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)nc2sc(C)c(C)c2c1=O C[C@@H](c1ccccc1)[*:1] CCn1c(nc2sc(C)c(C)c2c1=O)S[C@H](C)C(=O)NC[*:1]
CCn1c(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)nc2sc(C)c(C)c2c1=O c1ccc(cc1)[*:1] CCn1c(nc2sc(C)c(C)c2c1=O)S[C@H](C)C(=O)NC[C@@H](C)[*:1]
CCC([NH3+])(CC)C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-] CCC([NH3+])(CC)[*:1] O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)[*:1]
CCC([NH3+])(CC)C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-] O=C([O-])[*:1] CCC([NH3+])(CC)C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1[*:1]
COc1cccc(N2C[C@H](C(=O)Nc3nnc(SCc4ccccc4)s3)CC2=O)c1 COc1cccc(c1)[*:1] O=C(Nc1nnc(SCc2ccccc2)s1)[C@@H]1CC(=O)N(C1)[*:1]
COc1cccc(N2C[C@H](C(=O)Nc3nnc(SCc4ccccc4)s3)CC2=O)c1 c1ccc(cc1)CS[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
COc1cccc(N2C[C@H](C(=O)Nc3nnc(SCc4ccccc4)s3)CC2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)Nc1nnc(SC[*:1])s1
COc1cccc(N2C[C@H](C(=O)Nc3nnc(SCc4ccccc4)s3)CC2=O)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)Nc1nnc(S[*:1])s1
CC(C)(C)NC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 O=S(=O)(N1CCCC1)[*:1] CC(C)(C)NC(=O)CCn1nnc2cc(ccc21)[*:1]
CC(C)(C)NC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 CC(C)(C)NC(=O)[*:1] O=S(=O)(c1ccc2c(c1)nnn2CC[*:1])N1CCCC1
CC(C)(C)NC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 CC(C)(C)[*:1] O=C(CCn1nnc2cc(ccc21)S(=O)(=O)N1CCCC1)N[*:1]
CC(C)(C)NC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 CC(C)(C)NC(=O)C[*:1] O=S(=O)(c1ccc2c(c1)nnn2C[*:1])N1CCCC1
C[C@@](O)(CNC(=O)c1cccc(-n2ccnc2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)c1cccc(c1)-n1ccnc1)[*:1]
C[C@@](O)(CNC(=O)c1cccc(-n2ccnc2)c1)c1ccc(F)cc1 c1cn(cn1)[*:1] C[C@@](O)(CNC(=O)c1cccc(c1)[*:1])c1ccc(F)cc1
O=C1c2c(ccc(Br)c2Cl)NC1/C=N/Cc1ccccc1Cl Clc1ccccc1[*:1] O=C1c2c(ccc(Br)c2Cl)NC1/C=N/C[*:1]
CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 CCC[*:1] O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CCCN1S(=O)(=O)[*:1]
Cn1cc(S(=O)(=O)N(Cc2ccncc2)C2CC2)c(=O)n(C)c1=O c1cc(ccn1)[*:1] Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)N(C[*:1])C1CC1
Cn1cc(S(=O)(=O)N(Cc2ccncc2)C2CC2)c(=O)n(C)c1=O C1CC1[*:1] Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)N(Cc1ccncc1)[*:1]
Cn1cc(S(=O)(=O)N(Cc2ccncc2)C2CC2)c(=O)n(C)c1=O c1cc(ccn1)C[*:1] Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)N(C1CC1)[*:1]
COC[C@@H](NC(=O)CCc1nc2ccccc2s1)C(N)=O COC[*:1] NC(=O)[C@H](NC(=O)CCc1nc2ccccc2s1)[*:1]
COC[C@@H](NC(=O)CCc1nc2ccccc2s1)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)CCc1nc2ccccc2s1)[*:1]
COC[C@@H](NC(=O)CCc1nc2ccccc2s1)C(N)=O COC[C@@H](C(N)=O)[*:1] O=C(CCc1nc2ccccc2s1)N[*:1]
Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 c1ccc(cc1)O[*:1] Cc1c([nH]c2C[C@H](CC(=O)c21)c1cccs1)C(=O)OCC[*:1]
Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 c1ccc(cc1)[*:1] Cc1c([nH]c2C[C@H](CC(=O)c21)c1cccs1)C(=O)OCCO[*:1]
Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 c1ccc(cc1)OCC[*:1] Cc1c([nH]c2C[C@H](CC(=O)c21)c1cccs1)C(=O)O[*:1]
Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 c1ccc(cc1)OC[*:1] Cc1c([nH]c2C[C@H](CC(=O)c21)c1cccs1)C(=O)OC[*:1]
Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 c1csc(c1)[*:1] Cc1c([nH]c2C[C@@H](CC(=O)c21)[*:1])C(=O)OCCOc1ccccc1
CCN(CC1=NC(=O)C2=C[C@H](c3ccccc3)SC2=N1)Cc1ccc(OC)c(F)c1 c1ccc(cc1)[*:1] CCN(CC1=NC(=O)C2=C[C@H](SC2=N1)[*:1])Cc1ccc(OC)c(F)c1
CCN(CC1=NC(=O)C2=C[C@H](c3ccccc3)SC2=N1)Cc1ccc(OC)c(F)c1 COc1ccc(cc1F)[*:1] CCN(CC1=NC(=O)C2=C[C@@H](SC2=N1)c1ccccc1)C[*:1]
CCN(CC1=NC(=O)C2=C[C@H](c3ccccc3)SC2=N1)Cc1ccc(OC)c(F)c1 COc1ccc(cc1F)C[*:1] CCN(CC1=NC(=O)C2=C[C@@H](SC2=N1)c1ccccc1)[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C1(O)CCCCC1 C[C@@H]1CCCC[C@@H]1[*:1] O=C(COC(=O)C1(O)CCCCC1)N[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C1(O)CCCCC1 OC1(CCCCC1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)[*:1]
COc1cc(C=NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)ccc1OCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1cc(C=NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)ccc1OC[*:1]
COc1cc(C=NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)ccc1OCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)CO[*:1] COc1cc(C=NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)ccc1[*:1]
COc1cc(C=NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)ccc1OCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1cc(C=NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)ccc1OCc1ccc(cc1)[*:1]
COc1cc(C=NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)ccc1OCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)C[*:1] COc1cc(C=NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)ccc1O[*:1]
C[C@H]1CCN(C(=O)Nc2cccc(C(N)=O)n2)[C@H](C)C1 NC(=O)[*:1] C[C@H]1CCN(C(=O)Nc2cccc(n2)[*:1])[C@H](C)C1
CCOC(=O)c1ccc(CN2CCOC3(CCOCC3)C2)o1 CCOC(=O)[*:1] c1cc(oc1CN1CCOC2(CCOCC2)C1)[*:1]
CCn1cc(C(=O)N2CCC(N(C)C(C)=O)CC2)c(C(C)C)n1 CC(=O)N(C)[*:1] CCn1cc(C(=O)N2CCC(CC2)[*:1])c(n1)C(C)C
CCn1cc(C(=O)N2CCC(N(C)C(C)=O)CC2)c(C(C)C)n1 CC(C)[*:1] CCn1cc(C(=O)N2CCC(CC2)N(C)C(C)=O)c(n1)[*:1]
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N/C(=C\c1ccc(o1)-c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC(C)C)cc1 Cc1ccc(cc1)C(=O)N[*:1] CC(C)NC(=O)C(=Cc1ccc(o1)-c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)C(=O)N/C(=C\c1ccc(o1)-c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC(C)C)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)N/C(=C\c1ccc(o1)-c1cccc(c1)[*:1])C(=O)NC(C)C
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC(C)C)cc1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)N/C(=C\c1ccc(o1)[*:1])C(=O)NC(C)C
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)/C(=C/c1ccc(o1)-c1cccc(c1)[N+](=O)[O-])NC(=O)[*:1]
COC(=O)c1ccc(C(=O)N2[C@@H](C)COC[C@H]2C)s1 COC(=O)[*:1] C[C@H]1COC[C@@H](C)N1C(=O)c1ccc(s1)[*:1]
Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NCCC2=CCCCC2)c1=O Cc1ccccc1[*:1] O=C(Cn1c(=O)n(c(=O)c2sccc21)[*:1])NCCC1=CCCCC1
COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] COc1ccc(C(=O)NC2CC2)c(c1)OC1CC[NH+](CC1)[*:1]
COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccccc3)CC2)c1 O=C(NC1CC1)[*:1] COc1ccc(c(c1)OC1CC[NH+](CC1)Cc1ccccc1)[*:1]
COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccccc3)CC2)c1 C1CC1[*:1] COc1ccc(C(=O)N[*:1])c(c1)OC1CC[NH+](CC1)Cc1ccccc1
COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1ccc(C(=O)NC2CC2)c(c1)OC1CC[NH+](CC1)C[*:1]
COc1ccccc1Oc1ncnc(NC[C@H]2CCCO2)c1N C1CO[C@H](C1)[*:1] COc1ccccc1Oc1ncnc(NC[*:1])c1N
COc1ccccc1Oc1ncnc(NC[C@H]2CCCO2)c1N C1CO[C@H](C1)C[*:1] COc1ccccc1Oc1ncnc(N[*:1])c1N
COc1ccccc1Oc1ncnc(NC[C@H]2CCCO2)c1N C1CO[C@H](C1)CN[*:1] COc1ccccc1Oc1ncnc(c1N)[*:1]
CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2cccs2)cc1 c1csc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=S)NC(=O)C=C[*:1]
CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2cccs2)cc1 CC(C)[*:1] O=C(/C=C/c1cccs1)NC(=S)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2cccs2)cc1 C(=C[*:1])c1cccs1 CC(C)C(=O)Nc1ccc(cc1)NC(=S)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2cccs2)cc1 CC(C)C(=O)N[*:1] O=C(/C=C/c1cccs1)NC(=S)Nc1ccc(cc1)[*:1]
CC(C)C[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1CCCCC1=O CC(C)C[*:1] O=C(Nc1ccc2oc(=O)ccc2c1)[C@@H](N1CCCCC1=O)[*:1]
CC(C)C[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)[*:1]
CC(C)C[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)N1CCCCC1=O CC(C)[*:1] O=C(Nc1ccc2oc(=O)ccc2c1)[C@H](C[*:1])N1CCCCC1=O
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NC1CCC(O)CC1 CCCO[*:1] O=C(Nc1cc(Cl)ccc1[*:1])C(=O)NC1CCC(O)CC1
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] CCCOc1ccc(Cl)cc1NC(=O)C(=O)N[*:1]
CCCOc1ccc(Cl)cc1NC(=O)C(=O)NC1CCC(O)CC1 CCC[*:1] O=C(Nc1cc(Cl)ccc1O[*:1])C(=O)NC1CCC(O)CC1
CCC[C@H]1CN(C(=O)CCn2c(C)c(C)sc2=O)CCO1 CCC[*:1] Cc1sc(=O)n(CCC(=O)N2CCO[C@H](C2)[*:1])c1C
CN(Cc1cnn2c1NCCC2)[C@@H]1CCCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CN(Cc1cnn2CCCNc12)[C@@H]1CCCN(C1)[*:1]
COc1ccc2cc([C@H](C)C(=O)NCC(N)=O)ccc2c1 NC(=O)C[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C(=O)N[*:1]
COc1ccc2cc([C@H](C)C(=O)NCC(N)=O)ccc2c1 NC(=O)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NC[*:1]
COc1ccc2cc([C@H](C)C(=O)NCC(N)=O)ccc2c1 NC(=O)CNC(=O)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)[*:1]
N#Cc1c(N2CCN(C(=O)C(N)=O)CC2)nc(-c2ccco2)c2c1CCC2 c1coc(c1)[*:1] N#Cc1c(nc(c2CCCc12)[*:1])N1CCN(CC1)C(=O)C(N)=O
CCC[C@@H]1SCCN1C(=O)c1cnc2sccn2c1=O CCC[*:1] O=C(c1cnc2sccn2c1=O)N1CCS[C@H]1[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 CC(C)C[*:1] Cc1nn(c(C)c1CC(=O)Nc1cccc(c1)[C@]1(C)NC(=O)NC1=O)[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CC(=O)Nc1cccc(c1)[C@]1(C)NC(=O)NC1=O
CCOc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)sc2c1 CCO[*:1] O=C1CN(CCN1)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)sc2c1 O=C1CN(CCN1)S(=O)(=O)[*:1] CCOc1ccc2nc(NC(=O)c3cccc(c3)[*:1])sc2c1
CCC(CC)CNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CCC(CC)C[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)NC(=O)N[*:1]
CCC(CC)CNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCC(CC)CNC(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
CCC(CC)CNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CCC(CC)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)NC(=O)NC[*:1]
c1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)no1 c1cc(no1)[*:1] C1C[C@H](CN(C1)C[*:1])[NH+]1CCCC1
Cc1ccccc1C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 Fc1ccccc1C[*:1] Cc1ccccc1C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccccc1C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] Cc1ccccc1C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccccc1C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 Cc1ccccc1[*:1] O=C(N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1)[*:1]
COc1cccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)n1 Clc1ccccc1[*:1] COc1cccc(n1)C(=O)N1CCC[C@@H]1[*:1]
O=C(N[C@H]1CCN(C(=O)c2cc(-c3ccccn3)nc3ncccc23)C1)c1cccnc1 O=C(N[*:1])c1cccnc1 O=C(c1cc(nc2ncccc12)-c1ccccn1)N1CC[C@@H](C1)[*:1]
O=C(N[C@H]1CCN(C(=O)c2cc(-c3ccccn3)nc3ncccc23)C1)c1cccnc1 c1ccc(nc1)[*:1] O=C(N[C@H]1CCN(C1)C(=O)c1cc(nc2ncccc12)[*:1])c1cccnc1
O=C(N[C@H]1CCN(C(=O)c2cc(-c3ccccn3)nc3ncccc23)C1)c1cccnc1 c1cncc(c1)[*:1] O=C(c1cc(nc2ncccc12)-c1ccccn1)N1CC[C@@H](C1)NC(=O)[*:1]
O=C(Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1)NCc1cccs1 c1csc(c1)C[*:1] O=C1CC[C@H](N1)C(=O)Nc1nc(cs1)CC(=O)N[*:1]
O=C(Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1)NCc1cccs1 c1csc(c1)[*:1] O=C(Cc1csc(n1)NC(=O)[C@@H]1CCC(=O)N1)NC[*:1]
Cc1nnc(N[C@@H]2CCCCC[C@@H]2C(=O)[O-])s1 O=C([O-])[*:1] Cc1nnc(N[C@@H]2CCCCC[C@H]2[*:1])s1
COC(=O)CNC(=O)Nc1c(-c2cccnc2)[nH]c2ccccc12 COC(=O)C[*:1] O=C(Nc1c([nH]c2ccccc12)-c1cccnc1)N[*:1]
COC(=O)CNC(=O)Nc1c(-c2cccnc2)[nH]c2ccccc12 c1cncc(c1)[*:1] COC(=O)CNC(=O)Nc1c([nH]c2ccccc12)[*:1]
COC(=O)CNC(=O)Nc1c(-c2cccnc2)[nH]c2ccccc12 COC(=O)[*:1] O=C(NC[*:1])Nc1c([nH]c2ccccc12)-c1cccnc1
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)C1(C)C Cc1cc(C)n(n1)[*:1] CO[C@]1(C)C[C@H](NC(=O)NNC(=O)C[*:1])C1(C)C
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)C1(C)C Cc1cc(C)n(C[*:1])n1 CO[C@]1(C)C[C@H](NC(=O)NNC(=O)[*:1])C1(C)C
CCc1ncc(C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)cn1 CCc1ncc(cn1)[*:1] Cc1nc(cc(=O)[nH]1)C1CCN(CC1)C(=O)[*:1]
CCc1ncc(C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)cn1 Cc1nc(cc(=O)[nH]1)[*:1] CCc1ncc(cn1)C(=O)N1CCC(CC1)[*:1]
C[C@@H](NC(=O)c1cc2c(cc1Br)OCCO2)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cc2OCCOc2cc1Br)[*:1]
Cc1ccc(-c2nnn(CC(=O)NCCC3=CCCCC3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])NCCC1=CCCCC1
Cc1ccc([C@H](NC(=O)NCC(F)(F)F)C2CC2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@H](NC(=O)NC[*:1])C1CC1
Cc1ccc([C@H](NC(=O)NCC(F)(F)F)C2CC2)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)[C@H](NC(=O)N[*:1])C1CC1
Cc1ccc([C@H](NC(=O)NCC(F)(F)F)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](NC(=O)NCC(F)(F)F)[*:1]
CSc1ccccc1C[NH+]1CCC(CNC(=O)NCc2ccccc2)CC1 CSc1ccccc1C[*:1] O=C(NCc1ccccc1)NCC1CC[NH+](CC1)[*:1]
CSc1ccccc1C[NH+]1CCC(CNC(=O)NCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CSc1ccccc1C[NH+]1CCC(CC1)CNC(=O)N[*:1]
CSc1ccccc1C[NH+]1CCC(CNC(=O)NCc2ccccc2)CC1 CSc1ccccc1[*:1] O=C(NCc1ccccc1)NCC1CC[NH+](CC1)C[*:1]
CSc1ccccc1C[NH+]1CCC(CNC(=O)NCc2ccccc2)CC1 c1ccc(cc1)[*:1] CSc1ccccc1C[NH+]1CCC(CC1)CNC(=O)NC[*:1]
Cc1cc(-c2nnc(CN(Cc3ccco3)C3CCCC3)o2)c(C)o1 c1coc(c1)C[*:1] Cc1cc(-c2nnc(CN(C3CCCC3)[*:1])o2)c(C)o1
Cc1cc(-c2nnc(CN(Cc3ccco3)C3CCCC3)o2)c(C)o1 C1CCC(C1)[*:1] Cc1cc(-c2nnc(CN(Cc3ccco3)[*:1])o2)c(C)o1
Cc1cc(-c2nnc(CN(Cc3ccco3)C3CCCC3)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] c1coc(c1)CN(Cc1nnc(o1)[*:1])C1CCCC1
Cc1cc(-c2nnc(CN(Cc3ccco3)C3CCCC3)o2)c(C)o1 c1coc(c1)[*:1] Cc1cc(-c2nnc(CN(C[*:1])C3CCCC3)o2)c(C)o1
C=CCOc1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 Cc1ccc(cc1)[*:1] C=CCOc1ccc(/C=c2/sc3nc(nn3c2=O)[*:1])cc1
C=CCOc1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 C=CC[*:1] Cc1ccc(cc1)-c1nc2s/c(=C/c3ccc(cc3)O[*:1])c(=O)n2n1
C=CCOc1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 C=CCO[*:1] Cc1ccc(cc1)-c1nc2s/c(=C/c3ccc(cc3)[*:1])c(=O)n2n1
CC1CCN(C(=O)[C@@H](Sc2nnc(NC3CC3)s2)C(C)C)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)[C@@H](Sc1nnc(NC2CC2)s1)[*:1]
CC1CCN(C(=O)[C@@H](Sc2nnc(NC3CC3)s2)C(C)C)CC1 C1CC1[*:1] CC1CCN(CC1)C(=O)[C@@H](Sc1nnc(N[*:1])s1)C(C)C
CC1CCN(C(=O)[C@@H](Sc2nnc(NC3CC3)s2)C(C)C)CC1 C1CC1N[*:1] CC1CCN(CC1)C(=O)[C@@H](Sc1nnc(s1)[*:1])C(C)C
Cc1ccc(F)c(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1 Cc1ccc(F)c(c1)[*:1] C[C@H](C(=O)N1CCCC1)N1CC[NH+](CC1)C[*:1]
Cc1ccc(F)c(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1 O=C(N1CCCC1)[*:1] Cc1ccc(F)c(c1)C[NH+]1CCN(CC1)[C@H](C)[*:1]
O=C(N[C@@H]1CCCNC1=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 O=C1NCCC[C@H]1[*:1] O=C(N[*:1])[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1
CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 CC[C@H](C)[*:1] O=C(N[*:1])c1ccc(s1)S(=O)(=O)c1ccc(Cl)cc1
CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1ccc(s1)S(=O)(=O)[*:1]
CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 CC[C@H](C)NC(=O)[*:1] O=S(=O)(c1ccc(Cl)cc1)c1ccc(s1)[*:1]
COc1ccc(Cl)cc1CNC(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1CNC(=O)N[C@@H](C)[*:1]
C[C@H](Cc1cccs1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 c1csc(c1)C[*:1] C[C@H](NC(=O)NCc1ccc(nc1)N1CC[NH+](C)CC1)[*:1]
C[C@H](Cc1cccs1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)NCc1ccc(nc1)N1CC[NH+](C)CC1
C[C@H](Cc1cccs1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 C[C@H](Cc1cccs1)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)N[*:1]
COc1cc(CN2CCO[C@@H](c3cccs3)C2)c(SC)cc1OC c1csc(c1)[*:1] COc1cc(CN2CCO[C@@H](C2)[*:1])c(cc1OC)SC
Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1C1CC1 C1CC1[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccc(F)cc1F
N#Cc1c(NC(=O)c2cc(-c3ccc(F)cc3)on2)sc2c1CCCC2 Fc1ccc(cc1)[*:1] N#Cc1c(NC(=O)c2cc(on2)[*:1])sc2CCCCc21
Cc1cc(F)ccc1NC(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] Cc1cc(F)ccc1NC(=O)[C@H](C)Cn1cc(cn1)[*:1]
CCOc1ccc(-c2csc3ncn([C@H](C)C(=O)[O-])c(=O)c23)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)-c1csc2ncn(c(=O)c12)[C@H](C)[*:1]
CCOc1ccc(-c2csc3ncn([C@H](C)C(=O)[O-])c(=O)c23)cc1 CCO[*:1] C[C@H](C(=O)[O-])n1cnc2scc(-c3ccc(cc3)[*:1])c2c1=O
COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@@H]1C(=O)N[*:1]
COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] COc1ccc(cc1)NC(=O)N1CCC[C@H]1[*:1]
O=C([O-])c1cccc2c(=O)oc(=O)[nH]c12 O=C([O-])[*:1] O=c1[nH]c2c(cccc2c(=O)o1)[*:1]
Cc1ccc(CN(C(=O)CSc2ncnc3ccsc23)C2CC2)o1 Cc1ccc(o1)[*:1] O=C(CSc1ncnc2ccsc12)N(C[*:1])C1CC1
Cc1ccc(CN(C(=O)CSc2ncnc3ccsc23)C2CC2)o1 C1CC1[*:1] Cc1ccc(CN(C(=O)CSc2ncnc3ccsc23)[*:1])o1
Cc1ccc(CN(C(=O)CSc2ncnc3ccsc23)C2CC2)o1 Cc1ccc(C[*:1])o1 O=C(CSc1ncnc2ccsc12)N(C1CC1)[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 CC(C)NS(=O)(=O)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1NC(C1CC1)C1CC1)[*:1]
O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] O=[N+]([O-])c1ccc(NC(C2CC2)[*:1])c(c1)[N+](=O)[O-]
O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)c(c1)[*:1]
Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C(N)=O)o2)c(C)c1 NC(=O)[*:1] Cc1cc(C)c(c(C)c1)[C@H](C)[NH2+]Cc1ccc(o1)[*:1]
CN1CCO[C@@H](COc2ccc(C(=O)[O-])cc2N)C1 O=C([O-])[*:1] CN1CCO[C@@H](COc2ccc(cc2N)[*:1])C1
CCN(C(=O)c1ccsc1)c1cc(C)cc(C)c1 c1cc(cs1)[*:1] CCN(C(=O)[*:1])c1cc(C)cc(C)c1
Cc1nc(C2CCN(C(=O)Nc3ccc(C)c(C(=O)N(C)C)c3)CC2)no1 CN(C)C(=O)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)Nc1ccc(C)c(c1)[*:1]
Cc1nc(C2CCN(C(=O)Nc3ccc(C)c(C(=O)N(C)C)c3)CC2)no1 Cc1nc(no1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)N1CCC(CC1)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)CC[C@@H]2C)c1 CC(C)N(C)S(=O)(=O)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)c1cccc(c1)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)CC[C@@H]2C)c1 CC(C)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
C[C@@H](NC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[*:1]
C[C@@H](NC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccccc1 NC(=O)[*:1] C[C@@H](NC(=O)Nc1ccc(c(Cl)c1)[*:1])c1ccccc1
Cc1cc([C@H](O)CCC[C@H]2CCCO2)c2ccccc2n1 C1CO[C@H](C1)[*:1] Cc1cc(c2ccccc2n1)[C@H](O)CCC[*:1]
Cc1cc([C@H](O)CCC[C@H]2CCCO2)c2ccccc2n1 C1CO[C@H](C1)CC[*:1] Cc1cc(c2ccccc2n1)[C@H](O)C[*:1]
Cc1cc([C@H](O)CCC[C@H]2CCCO2)c2ccccc2n1 C1CO[C@H](C1)C[*:1] Cc1cc(c2ccccc2n1)[C@H](O)CC[*:1]
O=C(Nc1ccccc1Cl)N[C@H](CO)Cc1c[nH]c2ccccc12 Clc1ccccc1[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)N[*:1]
Cc1ccsc1-c1cnc(CNCc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] Cc1ccsc1-c1cnc(CNC[*:1])s1
Cc1ccsc1-c1cnc(CNCc2ccc(F)cc2)s1 Cc1ccsc1[*:1] Fc1ccc(cc1)CNCc1ncc(s1)[*:1]
COC(=O)C1CCN(c2ncnc3[nH]ncc23)CC1 COC(=O)[*:1] c1nc(c2cn[nH]c2n1)N1CCC(CC1)[*:1]
Cc1cnc(N2CCN(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(c(c1)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
Cc1cnc(N2CCN(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
Cn1cc(C(=O)OCc2nnnn2-c2ccccc2)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(C(=O)OCc2nnnn2-c2ccccc2)c(n1)[*:1]
Cn1cc(C(=O)OCc2nnnn2-c2ccccc2)c(-c2cccs2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)OCc2nnnn2[*:1])c(n1)-c1cccs1
CSCCOC(=O)c1csc2c1CCCC2 CSC[*:1] O=C(OC[*:1])c1csc2CCCCc12
CSCCOC(=O)c1csc2c1CCCC2 CSCC[*:1] O=C(O[*:1])c1csc2CCCCc12
O=C(Cc1ccccc1)NN[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 Clc1cc(Cl)cc(c1)[*:1] O=C(Cc1ccccc1)NN[C@H](C(=O)N[*:1])c1ccccc1
O=C(Cc1ccccc1)NN[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[*:1])NN[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
O=C(Cc1ccccc1)NN[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](NNC(=O)[*:1])c1ccccc1
O=C(Cc1ccccc1)NN[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1)NN[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[*:1]
COc1c(Cl)cc(C(=O)Nc2cccnc2)cc1Cl c1cncc(c1)[*:1] COc1c(Cl)cc(cc1Cl)C(=O)N[*:1]
CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCc3cccc(OC)c3)c2C1 COc1cccc(c1)[*:1] CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[*:1])c2C1
CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCc3cccc(OC)c3)c2C1 COc1cccc(c1)C[*:1] CCC[NH+]1Cc2cccc(NC(=O)C(=O)N[*:1])c2C1
CCc1ccc(C(=O)CCC(=O)N2CCC[C@H]2CN2CCOCC2)cc1 CCc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N1CCC[C@H]1CN1CCOCC1
CCc1ccc(C(=O)CCC(=O)N2CCC[C@H]2CN2CCOCC2)cc1 C1CN(CCO1)[*:1] CCc1ccc(cc1)C(=O)CCC(=O)N1CCC[C@H]1C[*:1]
CCc1ccc(C(=O)CCC(=O)N2CCC[C@H]2CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CCc1ccc(cc1)C(=O)CCC(=O)N1CCC[C@@H]1[*:1]
O=C(Nc1ccc(-n2cncn2)nc1)N1CCO[C@H](c2ccc(F)cc2)C1 c1ncn(n1)[*:1] O=C(Nc1ccc(nc1)[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
O=C(Nc1ccc(-n2cncn2)nc1)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)-n1cncn1)N1CCO[C@H](C1)[*:1]
O=C(Cc1ccc(-n2cccc2)cc1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)[*:1] O=C(Cc1ccc(cc1)-n1cccc1)N(C[*:1])[C@@H]1CCSC1
O=C(Cc1ccc(-n2cccc2)cc1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 c1ccn(c1)[*:1] O=C(Cc1ccc(cc1)[*:1])N(C[C@H]1CCCO1)[C@@H]1CCSC1
O=C(Cc1ccc(-n2cccc2)cc1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)C[*:1] O=C(Cc1ccc(cc1)-n1cccc1)N([C@@H]1CCSC1)[*:1]
COc1ccccc1/C=C\C=c1/sc2nc(-c3ccccc3OC(C)=O)nn2c1=O CC(=O)Oc1ccccc1[*:1] COc1ccccc1/C=C\C=c1/sc2nc(nn2c1=O)[*:1]
COc1ccccc1/C=C\C=c1/sc2nc(-c3ccccc3OC(C)=O)nn2c1=O COc1ccccc1[*:1] CC(=O)Oc1ccccc1-c1nc2s/c(=C\C=C[*:1])c(=O)n2n1
COc1ccccc1/C=C\C=c1/sc2nc(-c3ccccc3OC(C)=O)nn2c1=O COc1ccccc1C=C[*:1] CC(=O)Oc1ccccc1-c1nc2sc(=C[*:1])c(=O)n2n1
COc1ccccc1/C=C\C=c1/sc2nc(-c3ccccc3OC(C)=O)nn2c1=O CC(=O)O[*:1] COc1ccccc1/C=C\C=c1/sc2nc(nn2c1=O)-c1ccccc1[*:1]
COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C)cc2)C[C@@H]1C COC(=O)[*:1] Cc1ccc(cc1)NC(=O)N1C[C@H]([C@@H](C)C1)[*:1]
COC(=O)Nc1ccc(CNC(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1 COC(=O)N[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)NCc1ccc(cc1)[*:1]
COC(=O)Nc1ccc(CNC(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1 Cc1nc(cs1)[*:1] COC(=O)Nc1ccc(cc1)CNC(=O)c1cc(c[nH]1)[*:1]
CCSC1(CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)CCOCC1 CCS[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)NCC1(CCOCC1)[*:1]
Cc1cccc(-n2nnnc2SCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)CSc1nnnn1[*:1])c1ccc2ccccc2c1
COc1ccc(/C=C/C(=O)N(Cc2ccccc2OC)C2CC2)cc1F COc1ccccc1[*:1] COc1ccc(/C=C/C(=O)N(C[*:1])C2CC2)cc1F
COc1ccc(/C=C/C(=O)N(Cc2ccccc2OC)C2CC2)cc1F C1CC1[*:1] COc1ccc(/C=C/C(=O)N(Cc2ccccc2OC)[*:1])cc1F
Cc1ccccc1N1C(N)=[NH+]C[C@]1(C)c1ccccc1C Cc1ccccc1[*:1] Cc1ccccc1[C@@]1(C)C[NH+]=C(N)N1[*:1]
Cc1ccccc1N1C(N)=[NH+]C[C@]1(C)c1ccccc1C Cc1ccccc1[*:1] Cc1ccccc1N1C(N)=[NH+]C[C@@]1(C)[*:1]
C/[NH+]=C(\NCc1cccc(OC)n1)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C/[NH+]=C(\NCc1cccc(n1)OC)N[*:1]
COc1ccc(NC(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1Cl C1CCC(CC1)[*:1] COc1ccc(cc1Cl)NC(=O)c1ccc(cc1)OCC(=O)N[*:1]
COc1ccc(NC(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1Cl O=C(NC1CCCCC1)[*:1] COc1ccc(cc1Cl)NC(=O)c1ccc(cc1)OC[*:1]
COc1ccc(NC(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(COc1ccc(cc1)C(=O)N[*:1])NC1CCCCC1
CS(=O)(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccncc3)=NN12 c1cc(ccn1)[*:1] CS(=O)(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(=NN12)[*:1]
Cn1nccc1C[NH+](C)CCOCc1ccccc1 c1ccc(cc1)[*:1] Cn1nccc1C[NH+](C)CCOC[*:1]
Cn1nccc1C[NH+](C)CCOCc1ccccc1 Cn1nccc1[*:1] C[NH+](CCOCc1ccccc1)C[*:1]
C=C(Br)Cn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 Fc1ccccc1[*:1] C=C(Br)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
C=C(Br)Cn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 C=C(Br)[*:1] O=C1C[C@H](CN1c1ccccc1F)c1nc2ccccc2n1C[*:1]
C=C(Br)Cn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 C=C(Br)C[*:1] O=C1C[C@H](CN1c1ccccc1F)c1nc2ccccc2n1[*:1]
Cc1ccc(OCc2ccc(C(=O)N3N=CC[C@]3(O)C(F)(F)F)o2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(c1ccc(CO[*:1])o1)N1N=CC[C@]1(O)C(F)(F)F
Cc1ccc(OCc2ccc(C(=O)N3N=CC[C@]3(O)C(F)(F)F)o2)c(C)c1 FC(F)(F)[*:1] Cc1ccc(OCc2ccc(o2)C(=O)N2N=CC[C@@]2(O)[*:1])c(C)c1
Cc1ccc(OCc2ccc(C(=O)N3N=CC[C@]3(O)C(F)(F)F)o2)c(C)c1 Cc1ccc(O[*:1])c(C)c1 O=C(c1ccc(C[*:1])o1)N1N=CC[C@]1(O)C(F)(F)F
O=C(C[NH+]1CCN(Cc2cccs2)CC1)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1cccs1)NCC[*:1]
O=C(C[NH+]1CCN(Cc2cccs2)CC1)NCCc1c[nH]c2ccccc12 c1csc(c1)C[*:1] O=C(C[NH+]1CCN(CC1)[*:1])NCCc1c[nH]c2ccccc12
O=C(C[NH+]1CCN(Cc2cccs2)CC1)NCCc1c[nH]c2ccccc12 c1csc(c1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])NCCc1c[nH]c2ccccc12
Cc1nc2ccccc2n1CCCNc1ncc(C(N)=O)cc1Cl NC(=O)[*:1] Cc1nc2ccccc2n1CCCNc1ncc(cc1Cl)[*:1]
C[C@H]1CN(CCNC(=O)CCc2nc(C(C)(C)C)no2)C[C@@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(CCNC(=O)CCc2nc(no2)[*:1])C[C@@H](C)O1
CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2ccc(F)c(Cl)c2)n1 c1cc(ccn1)[*:1] CCCc1ncc(c(n1)[C@@H]1CCCCN1C(=O)c1ccc(F)c(Cl)c1)[*:1]
CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2ccc(F)c(Cl)c2)n1 Fc1ccc(cc1Cl)[*:1] CCCc1ncc(-c2ccncc2)c(n1)[C@@H]1CCCCN1C(=O)[*:1]
CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2ccc(F)c(Cl)c2)n1 CCC[*:1] O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@H]1c1nc(ncc1-c1ccncc1)[*:1]
Cc1ccc(C)c(NC(=O)c2c(N)n(N)c3nc4ccccc4nc23)c1 Cc1ccc(C)c(c1)[*:1] Nc1c(C(=O)N[*:1])c2nc3ccccc3nc2n1N
CCOc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c2ccccc12 CCO[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(c2ccccc12)[*:1]
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@H]1C(N)=O NC(=O)[*:1] Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@@H]1[*:1]
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@H]1C(N)=O O=C(N[*:1])c1ccco1 Cc1cc(sc1C(=O)N1CCC[C@H]1C(N)=O)[*:1]
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@H]1C(N)=O c1coc(c1)[*:1] Cc1cc(NC(=O)[*:1])sc1C(=O)N1CCC[C@H]1C(N)=O
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCc4cc(S(C)(=O)=O)ccc43)cc12 CS(=O)(=O)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N1CCCc2cc(ccc21)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCc4cc(S(C)(=O)=O)ccc43)cc12 c1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)N1CCCc2cc(ccc21)S(C)(=O)=O)[*:1]
Cc1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c(C)s1 c1ccc(cc1)[*:1] Cc1cc(c(C)s1)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=S(=O)(Nc1ccc(cc1)-c1ccccc1)[*:1]
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@H]2C1 O=[N+]([O-])[*:1] O=C(c1cc(cc(c1)[*:1])[N+](=O)[O-])N1CC[C@@]2(O)CCCC[C@H]2C1
C/C(=N\NC(=O)c1[nH]nc(O)c1C)c1cccs1 c1csc(c1)[*:1] CC(=NNC(=O)c1[nH]nc(O)c1C)[*:1]
CC(C)N(C(=O)CCc1ccc(F)c(F)c1)C1CCCC1 CC(C)[*:1] O=C(CCc1ccc(F)c(F)c1)N(C1CCCC1)[*:1]
CC(C)N(C(=O)CCc1ccc(F)c(F)c1)C1CCCC1 C1CCC(C1)[*:1] CC(C)N(C(=O)CCc1ccc(F)c(F)c1)[*:1]
Cc1sc2nc(CN3C[C@@H](C)O[C@H](c4ccccc4)C3)nc(N)c2c1C c1ccc(cc1)[*:1] Cc1sc2nc(CN3C[C@@H](C)O[C@H](C3)[*:1])nc(N)c2c1C
COCCN1C[C@H](C(=O)N2CCC(C(=O)[O-])CC2)CC1=O O=C([O-])[*:1] COCCN1C[C@@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
COCCN1C[C@H](C(=O)N2CCC(C(=O)[O-])CC2)CC1=O COCC[*:1] O=C([O-])C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COCCN1C[C@H](C(=O)N2CCC(C(=O)[O-])CC2)CC1=O COC[*:1] O=C([O-])C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 CN(C)[*:1] C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(cc1)[*:1]
C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 Brc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N/N=C/c1ccc(cc1)N(C)C
C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 Brc1ccc(cc1)O[*:1] C[C@@H](C(=O)N/N=C/c1ccc(cc1)N(C)C)[*:1]
C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)[*:1])C(=O)CCC(=O)N1CCOCC1
C[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@H](c2ccccc2)O1 O=C(N1CCOCC1)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)CC[*:1]
C#Cc1cccc(N(CC(=O)N2CCC[C@H](NC(C)=O)C2)C(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(CC(=O)N1CCC[C@@H](C1)NC(C)=O)[*:1]
C#Cc1cccc(N(CC(=O)N2CCC[C@H](NC(C)=O)C2)C(C)C)c1 CC(=O)N[*:1] C#Cc1cccc(c1)N(CC(=O)N1CCC[C@H](C1)[*:1])C(C)C
C#Cc1cccc(N(CC(=O)N2CCC[C@H](NC(C)=O)C2)C(C)C)c1 C#Cc1cccc(c1)[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)CN(C(C)C)[*:1]
Cc1nc(N[C@@H](C)c2ccccc2-n2cccn2)c2nc(C)oc2n1 c1cnn(c1)[*:1] Cc1nc(N[C@@H](C)c2ccccc2[*:1])c2nc(C)oc2n1
[NH3+][C@H]1CC[C@H](Nc2cnn(CC(=O)NC3CC3)c2)C1 C1CC1[*:1] [NH3+][C@H]1CC[C@@H](C1)Nc1cnn(c1)CC(=O)N[*:1]
[NH3+][C@H]1CC[C@H](Nc2cnn(CC(=O)NC3CC3)c2)C1 O=C(NC1CC1)[*:1] [NH3+][C@H]1CC[C@@H](C1)Nc1cnn(c1)C[*:1]
COc1ccc(CNC(=O)Nc2ccc(F)cc2OCC(F)F)cn1 FC(F)CO[*:1] COc1ccc(cn1)CNC(=O)Nc1ccc(F)cc1[*:1]
COc1ccc(CNC(=O)Nc2ccc(F)cc2OCC(F)F)cn1 FC(F)C[*:1] COc1ccc(cn1)CNC(=O)Nc1ccc(F)cc1O[*:1]
COc1ccc(CNC(=O)Nc2ccc(F)cc2OCC(F)F)cn1 COc1ccc(cn1)[*:1] O=C(NC[*:1])Nc1ccc(F)cc1OCC(F)F
COc1ccc(CNC(=O)Nc2ccc(F)cc2OCC(F)F)cn1 FC(F)[*:1] COc1ccc(cn1)CNC(=O)Nc1ccc(F)cc1OC[*:1]
NC(=S)c1nccnc1NCCCC(=O)NC1CC1 C1CC1[*:1] NC(=S)c1nccnc1NCCCC(=O)N[*:1]
NC(=S)c1nccnc1NCCCC(=O)NC1CC1 NC(=S)[*:1] O=C(CCCNc1nccnc1[*:1])NC1CC1
NC(=S)c1nccnc1NCCCC(=O)NC1CC1 O=C(NC1CC1)[*:1] NC(=S)c1nccnc1NCCC[*:1]
Cc1cc(NC(=O)C[NH+]2CCc3[nH]c4ccccc4c(=O)c3C2)ccc1F Cc1cc(ccc1F)[*:1] O=C(C[NH+]1CCc2[nH]c3ccccc3c(=O)c2C1)N[*:1]
CCOC(=O)[C@H]1[C@@H]2NC(=S)N(c3cccc(F)c3)[C@@]1(C)Oc1c(OC)cccc12 CCOC(=O)[*:1] COc1cccc2c1O[C@@]1(C)[C@H]([C@@H]2NC(=S)N1c1cccc(F)c1)[*:1]
CCOC(=O)[C@H]1[C@@H]2NC(=S)N(c3cccc(F)c3)[C@@]1(C)Oc1c(OC)cccc12 Fc1cccc(c1)[*:1] CCOC(=O)[C@H]1[C@@H]2NC(=S)N([C@@]1(C)Oc1c(cccc12)OC)[*:1]
Cc1cccc(CN2CCc3nnc([C@@H]4CCCO4)n3CC2)c1 Cc1cccc(c1)[*:1] C1CO[C@@H](C1)c1nnc2CCN(CCn21)C[*:1]
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1nc(Cl)ccc1Cl Clc1ccc(Cl)c(n1)[*:1] O=C(NCCC[NH+]1CCN(CC1)c1ncccn1)[*:1]
O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1nc(Cl)ccc1Cl c1cnc(nc1)[*:1] O=C(NCCC[NH+]1CCN(CC1)[*:1])c1nc(Cl)ccc1Cl
C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1nccs1 c1csc(n1)[*:1] C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)[*:1]
C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1nccs1 CN1CCO[C@@H](C1)[*:1] C[C@H](N[C@@H](c1ccc(Cl)cc1)[*:1])c1nccs1
C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1nccs1 C[C@H](c1nccs1)[*:1] CN1CCO[C@@H](C1)[C@@H](N[*:1])c1ccc(Cl)cc1
C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1nccs1 Clc1ccc(cc1)[*:1] C[C@H](N[C@@H]([C@@H]1CN(C)CCO1)[*:1])c1nccs1
c1ccc(CCN2CCc3[nH]c[nH+]c3[C@H]2c2cnn(-c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-n1cc(cn1)[C@@H]1c2[nH+]c[nH]c2CCN1CC[*:1]
c1ccc(CCN2CCc3[nH]c[nH+]c3[C@H]2c2cnn(-c3ccccc3)c2)cc1 c1ccc(cc1)CC[*:1] c1ccc(cc1)-n1cc(cn1)[C@@H]1c2[nH+]c[nH]c2CCN1[*:1]
c1ccc(CCN2CCc3[nH]c[nH+]c3[C@H]2c2cnn(-c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)CCN1CCc2[nH]c[nH+]c2[C@H]1c1cnn(c1)[*:1]
c1ccc(CCN2CCc3[nH]c[nH+]c3[C@H]2c2cnn(-c3ccccc3)c2)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)-n1cc(cn1)[C@@H]1c2[nH+]c[nH]c2CCN1C[*:1]
C[C@@H]([C@@H](C)N(C)C(=O)c1sc2ccccc2c1Cl)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)c1sc2ccccc2c1Cl)[*:1]
CC[NH2+][C@@H](Cc1ccccc1C)c1cscc1C Cc1cscc1[*:1] CC[NH2+][C@@H](Cc1ccccc1C)[*:1]
CC(=O)NC(=S)Nc1ccc(C(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] CC(=O)NC(=S)Nc1ccc(cc1)C(=O)N[*:1]
Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 CN(C)S(=O)(=O)[*:1] Cc1ccnc(n1)NC(=O)c1cccc(c1)[*:1]
Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 Cc1ccnc(n1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
COC(=O)[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc21 COC(=O)[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N1CC[C@@H](c2ccccc21)[*:1]
CCC[NH2+][C@H]1CCCc2nc(-c3ncc[nH]3)ncc21 CCC[*:1] c1c[nH]c(n1)-c1ncc2c(CCC[C@@H]2[NH2+][*:1])n1
CCC[NH2+][C@H]1CCCc2nc(-c3ncc[nH]3)ncc21 c1c[nH]c(n1)[*:1] CCC[NH2+][C@H]1CCCc2nc(ncc21)[*:1]
COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCCC4)cc3)c(=O)n(CC(N)=O)c2cc1OC O=C(N1CCCC1)[*:1] COc1cc2c(=O)n(Cc3ccc(cc3)[*:1])c(=O)n(CC(N)=O)c2cc1OC
COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCCC4)cc3)c(=O)n(CC(N)=O)c2cc1OC NC(=O)C[*:1] COc1cc2c(=O)n(Cc3ccc(cc3)C(=O)N3CCCC3)c(=O)n(c2cc1OC)[*:1]
COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCCC4)cc3)c(=O)n(CC(N)=O)c2cc1OC NC(=O)[*:1] COc1cc2c(=O)n(Cc3ccc(cc3)C(=O)N3CCCC3)c(=O)n(C[*:1])c2cc1OC
COc1cccc(NC(=O)[C@H]2CCCN(c3ccc4nnc(C)n4n3)C2)c1 COc1cccc(c1)[*:1] Cc1nnc2ccc(nn12)N1CCC[C@@H](C1)C(=O)N[*:1]
O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1Cc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=c1c2ccccc2n(C[*:1])c(=O)n1Cc1cccc(Cl)c1
O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1Cc1cccc(Cl)c1 c1ccc(cc1)C[*:1] O=c1c2ccccc2n(c(=O)n1Cc1cccc(Cl)c1)[*:1]
O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1C[*:1]
O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1[*:1]
C#CCCN1CCN(C(=O)Cc2cc(C)[nH]n2)CC1 C#CC[*:1] Cc1cc(CC(=O)N2CCN(CC2)C[*:1])n[nH]1
C#CCCN1CCN(C(=O)Cc2cc(C)[nH]n2)CC1 Cc1cc(n[nH]1)[*:1] C#CCCN1CCN(CC1)C(=O)C[*:1]
C#CCCN1CCN(C(=O)Cc2cc(C)[nH]n2)CC1 C#CCC[*:1] Cc1cc(CC(=O)N2CCN(CC2)[*:1])n[nH]1
CN(C)c1cccc(C(=O)N2CC[C@]3(C2)C(=O)N(C)c2ccccc23)c1 CN(C)[*:1] CN1C(=O)[C@@]2(CCN(C2)C(=O)c2cccc(c2)[*:1])c2ccccc21
O=C(Nc1c(F)cccc1F)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(Nc1c(F)cccc1F)C(=O)N[*:1]
CC(=O)N[C@H](CO)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 CC(=O)N[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)[C@@H](CO)[*:1])-c1ccccc1
CC(=O)N[C@H](CO)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 CN(C)[*:1] CC(=O)N[C@H](CO)C(=O)N1CCc2c(C1)nc(nc2[*:1])-c1ccccc1
CC(=O)N[C@H](CO)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 c1ccc(cc1)[*:1] CC(=O)N[C@H](CO)C(=O)N1CCc2c(C1)nc(nc2N(C)C)[*:1]
Cc1cc([C@H](C)NC(=O)Nc2ccc([S@](C)=O)cc2)c(C)o1 C[S@](=O)[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1cc([C@H](C)NC(=O)Nc2ccc([S@](C)=O)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[S@](C)=O)[*:1]
Cc1cc(N2CC[NH+](CC(=O)N3CCC[C@H](c4csnn4)C3)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CC[NH+](CC1)CC(=O)N1CCC[C@@H](C1)c1csnn1
Cc1cc(N2CC[NH+](CC(=O)N3CCC[C@H](c4csnn4)C3)CC2)nc(C(C)C)[nH+]1 c1snnc1[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CC[NH+](CC1)CC(=O)N1CCC[C@H](C1)[*:1]
Cc1cc(N2CC[NH+](CC(=O)N3CCC[C@H](c4csnn4)C3)CC2)nc(C(C)C)[nH+]1 Cc1cc(nc([nH+]1)C(C)C)[*:1] O=C(C[NH+]1CCN(CC1)[*:1])N1CCC[C@@H](C1)c1csnn1
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCSC[C@H]1C[NH+]1CCCC1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1)[*:1])N1CCCSC[C@H]1C[NH+]1CCCC1
O=C(Nc1cc(F)ccc1-n1cccn1)C(=O)N[C@H]1CCCC[C@@H]1CO c1cnn(c1)[*:1] O=C(Nc1cc(F)ccc1[*:1])C(=O)N[C@H]1CCCC[C@@H]1CO
O=C(COc1ccc2ccccc2c1)NOCc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc2ccccc2c1)NOC[*:1]
O=C(COc1ccc2ccccc2c1)NOCc1ccccc1 c1ccc(cc1)C[*:1] O=C(COc1ccc2ccccc2c1)NO[*:1]
Nc1ccccc1C(=O)NCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] Nc1ccccc1C(=O)NCc1ccc(o1)[*:1]
Cc1ccc(N[C@H](C)C(=O)Nc2cc(C)on2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)N[C@H](C)C(=O)N[*:1]
COC(=O)[C@@H](N)C(=O)c1ccc(F)cc1 COC(=O)[*:1] N[C@@H](C(=O)c1ccc(F)cc1)[*:1]
CSCCCn1c(=C(C#N)C#N)s/c(=C\c2ccsc2)c1=O CSC[*:1] N#CC(C#N)=c1s/c(=C\c2ccsc2)c(=O)n1CC[*:1]
CSCCCn1c(=C(C#N)C#N)s/c(=C\c2ccsc2)c1=O CSCC[*:1] N#CC(C#N)=c1s/c(=C\c2ccsc2)c(=O)n1C[*:1]
CSCCCn1c(=C(C#N)C#N)s/c(=C\c2ccsc2)c1=O c1cc(cs1)[*:1] CSCCCn1c(sc(=C[*:1])c1=O)=C(C#N)C#N
CSCCCn1c(=C(C#N)C#N)s/c(=C\c2ccsc2)c1=O CSCCC[*:1] N#CC(C#N)=c1s/c(=C\c2ccsc2)c(=O)n1[*:1]
CCC(CC)C(=O)Oc1ccc(S(=O)(=O)N(C)C)cc1 CCC(CC)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)OC(=O)[*:1]
CCC(CC)C(=O)Oc1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] CCC(CC)C(=O)Oc1ccc(cc1)[*:1]
COC(=O)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 c1csc(c1)[*:1] COC(=O)c1ccc(cc1)[C@@H]1CC(=O)NC2C[C@H](CC(=O)C=21)[*:1]
COC(=O)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 COC(=O)[*:1] O=C1C[C@H](C2C(=O)C[C@H](CC=2N1)c1cccs1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)Nc1ccc(c(Cl)c1)[N+](=O)[O-])[*:1]
C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)Nc1ccc(c(Cl)c1)[*:1])c1ccncc1
COc1cc(OC)cc(C(=O)NCSc2nc(-c3ccc(C)cc3)cs2)c1 Cc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)NCSc1nc(cs1)[*:1])OC
COc1cc(C(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1OC(C)C Clc1ccc(cc1)C[*:1] COc1cc(ccc1OC(C)C)C(=O)N1CCC[NH+](CC1)[*:1]
COc1cc(C(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C(=O)N1CCC[NH+](CC1)Cc1ccc(Cl)cc1
COc1cc(C(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C(=O)N1CCC[NH+](CC1)Cc1ccc(Cl)cc1
COc1cc(C(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1OC(C)C Clc1ccc(cc1)[*:1] COc1cc(ccc1OC(C)C)C(=O)N1CCC[NH+](CC1)C[*:1]
C[C@H]1CC(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[C@H](C)O1 N#Cc1cccc(c1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC(CC1)O[*:1]
CC(C)c1ccc2[nH+]c3c(cc2c1)CCN3 CC(C)[*:1] c1cc2[nH+]c3NCCc3cc2cc1[*:1]
CC(C)(C)[C@H](CS)C[NH+]1Cc2ccccc2C1 CC(C)(C)[*:1] SC[C@H](C[NH+]1Cc2ccccc2C1)[*:1]
O=C(Nc1ccccc1)c1ccc(Nc2ccc(OCCO)cc2)nn1 OCCO[*:1] O=C(Nc1ccccc1)c1ccc(nn1)Nc1ccc(cc1)[*:1]
O=C(Nc1ccccc1)c1ccc(Nc2ccc(OCCO)cc2)nn1 OCC[*:1] O=C(Nc1ccccc1)c1ccc(nn1)Nc1ccc(cc1)O[*:1]
O=C(Nc1ccccc1)c1ccc(Nc2ccc(OCCO)cc2)nn1 c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(nn1)Nc1ccc(cc1)OCCO
O=C([O-])[C@@H]1C=C[C@H](NC(=O)[C@@H]2CCSC2)C1 O=C([O-])[*:1] O=C(N[C@H]1C=C[C@H](C1)[*:1])[C@@H]1CCSC1
O=C([O-])[C@@H]1C=C[C@H](NC(=O)[C@@H]2CCSC2)C1 C1C[C@H](CS1)[*:1] O=C([O-])[C@@H]1C=C[C@@H](C1)NC(=O)[*:1]
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cccc4ccccc34)CC2)cc1 CCO[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1])c1cccc2ccccc12
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cccc4ccccc34)CC2)cc1 c1ccc2c(cccc2c1)[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](C)[*:1]
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cccc4ccccc34)CC2)cc1 CCOc1ccc(cc1)[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1cccc2ccccc12
COCC[C@H](C)[C@@H](Br)C(C)C COC[*:1] CC(C)[C@H](Br)[C@@H](C)C[*:1]
COCC[C@H](C)[C@@H](Br)C(C)C CC(C)[*:1] COCC[C@H](C)[C@@H](Br)[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2ccc(F)c(C)c2)C1 CCOC[*:1] Cc1cc(ccc1F)NC(=O)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2ccc(F)c(C)c2)C1 CCO[*:1] Cc1cc(ccc1F)NC(=O)N1CC[C@H](C1)C[*:1]
CN(C)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Cl)cc3s2)cc1 c1ccc(C[*:1])nc1 CN(C)c1ccc(cc1)C(=O)N(c1nc2ccc(Cl)cc2s1)[*:1]
CN(C)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Cl)cc3s2)cc1 c1ccc(nc1)[*:1] CN(C)c1ccc(cc1)C(=O)N(C[*:1])c1nc2ccc(Cl)cc2s1
CN(C)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Cl)cc3s2)cc1 CN(C)c1ccc(cc1)[*:1] O=C(N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1)[*:1]
CN(C)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Cl)cc3s2)cc1 CN(C)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1
CSc1ccc([C@H]2OCC[C@H]2C[NH2+]C2CC2)cc1 C1CC1[*:1] CSc1ccc(cc1)[C@H]1OCC[C@H]1C[NH2+][*:1]
O=C(COc1ccc(Cl)cc1Cl)NCCc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1Cl)NCCc1nc(cs1)[*:1]
O=C(COc1ccc(Cl)cc1Cl)NCCc1nc(-c2ccccc2)cs1 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])NCCc1nc(cs1)-c1ccccc1
CC(C)[C@@H](C[NH2+]Cc1ccc(F)cc1F)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](C[NH2+]Cc1ccc(F)cc1F)[*:1]
C[C@H]1CN(C(=O)C2=NO[C@H](c3ccccc3)C2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])C(=O)C1C[C@H](ON=1)c1ccccc1
C[C@H]1CN(C(=O)C2=NO[C@H](c3ccccc3)C2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)C1C[C@@H](ON=1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)NNc1ccc(F)cc1F Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)NNc1ccc(F)cc1F
CSc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)cc1 CC(C)C[*:1] CSc1ccc(cc1)C[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2[*:1]
CSc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)cc1 CSc1ccc(cc1)[*:1] CC(C)CN1C(=O)N(C)C(=O)C12CC[NH+](CC2)C[*:1]
CSc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)cc1 CC(C)[*:1] CSc1ccc(cc1)C[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2C[*:1]
CC[n+]1c(N)n(CC(=O)c2ccc(F)cc2)c2ccccc21 Fc1ccc(cc1)[*:1] CC[n+]1c(N)n(CC(=O)[*:1])c2ccccc21
CCCn1nc(C)c(N)c1N1C[C@@H](C)[C@@H](C)C1 CCC[*:1] Cc1nn(c(c1N)N1C[C@@H](C)[C@@H](C)C1)[*:1]
O=C(NCc1nc2ccc(F)cc2[nH]1)c1cccnc1N1CCCC1 C1CCN(C1)[*:1] O=C(NCc1nc2ccc(F)cc2[nH]1)c1cccnc1[*:1]
CCc1noc(CC)c1CNC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 CN(C)[*:1] CCc1noc(CC)c1CNC(=O)N1CCC[C@H]1c1cccc(c1)[*:1]
CCc1noc(CC)c1CNC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 CN(C)c1cccc(c1)[*:1] CCc1noc(CC)c1CNC(=O)N1CCC[C@@H]1[*:1]
CCc1noc(CC)c1CNC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 CCc1noc(CC)c1[*:1] CN(C)c1cccc(c1)[C@@H]1CCCN1C(=O)NC[*:1]
O=C(NNC(=S)NCc1ccc(F)cc1)c1ccc2ccccc2n1 Fc1ccc(cc1)C[*:1] O=C(NNC(=S)N[*:1])c1ccc2ccccc2n1
O=C(NNC(=S)NCc1ccc(F)cc1)c1ccc2ccccc2n1 Fc1ccc(cc1)[*:1] O=C(NNC(=S)NC[*:1])c1ccc2ccccc2n1
Cc1ccc(O[C@@H](C)C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)[C@@H](C#N)c1ccccc1
Cc1ccc(O[C@@H](C)C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N1CCN(CC1)[C@@H](C#N)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 N#C[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)N1CCN(CC1)[C@@H](C#N)c1ccccc1)[*:1]
Cc1cccc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)on2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)c1cc(on1)[*:1]
Cc1cccc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)on2)c1 Cc1cccc(c1)[*:1] O=C(c1cc(on1)-c1ccccc1)N1CCC[C@@H]1[*:1]
Cc1ccc(OCCNC(=O)c2ccc(F)cc2F)cc1 Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])c1ccc(F)cc1F
CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 CC[C@H](C)[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)N(Cc1ccccc1)[*:1]
CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 c1ccc(cc1)C[*:1] CC[C@H](C)N(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[*:1]
CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 c1ccc(cc1)[*:1] CC[C@H](C)N(C[*:1])C(=O)[C@@H]1CC[C@H](C[NH3+])O1
N#CCN(CC#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 N#CC[*:1] N#CCN(C(=O)c1csc(n1)-c1ccc(Cl)c(Cl)c1)[*:1]
CCNC(=O)N1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 O=C([O-])[*:1] CCNC(=O)N1CC[C@H](Cc2cccc(c2)[*:1])C1
COc1ccc(C(=O)Nc2nnc([S@](=O)Cc3ccccc3)s2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[S@](=O)Cc1ccccc1)[*:1]
COc1ccc(C(=O)Nc2nnc([S@](=O)Cc3ccccc3)s2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1nnc(s1)[S@](=O)C[*:1]
COc1ccc(C(=O)Nc2nnc([S@](=O)Cc3ccccc3)s2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)Nc1nnc(s1)[S@](=O)[*:1]
Cc1ccc(OCCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 Cc1ccc(cc1)O[*:1] O=C(NCC[*:1])c1sccc1S(=O)(=O)N1CCOCC1
Cc1ccc(OCCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])c1sccc1S(=O)(=O)N1CCOCC1
Cc1ccc(OCCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1)OCCNC(=O)c1sccc1[*:1]
Cc1ccc(OCCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 Cc1ccc(cc1)OC[*:1] O=C(NC[*:1])c1sccc1S(=O)(=O)N1CCOCC1
CC1CCN(c2ccc(C(=O)OCCC(=O)N(C)C)cc2[N+](=O)[O-])CC1 CC1CCN(CC1)[*:1] CN(C)C(=O)CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC1CCN(c2ccc(C(=O)OCCC(=O)N(C)C)cc2[N+](=O)[O-])CC1 CN(C)C(=O)C[*:1] CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)OC[*:1]
CC1CCN(c2ccc(C(=O)OCCC(=O)N(C)C)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC1CCN(CC1)c1ccc(cc1[*:1])C(=O)OCCC(=O)N(C)C
CC1CCN(c2ccc(C(=O)OCCC(=O)N(C)C)cc2[N+](=O)[O-])CC1 CN(C)C(=O)CC[*:1] CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)O[*:1]
CC1CCN(c2ccc(C(=O)OCCC(=O)N(C)C)cc2[N+](=O)[O-])CC1 CN(C)C(=O)[*:1] CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)OCC[*:1]
CCc1ncc(CN(C)[C@@H](C)Cc2cccs2)s1 c1csc(c1)C[*:1] CCc1ncc(CN(C)[C@@H](C)[*:1])s1
CCc1ncc(CN(C)[C@@H](C)Cc2cccs2)s1 c1csc(c1)[*:1] CCc1ncc(CN(C)[C@@H](C)C[*:1])s1
Cc1nc(C2CCN(c3ncccn3)CC2)no1 c1cnc(nc1)[*:1] Cc1nc(no1)C1CCN(CC1)[*:1]
Cc1nc(C2CCN(c3ncccn3)CC2)no1 Cc1nc(no1)[*:1] c1cnc(nc1)N1CCC(CC1)[*:1]
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](C)c1nnn(c1C)[*:1]
C[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1CCCc2cccnc21 Fc1ccc(cc1)[*:1] C[NH2+][C@@H](C[*:1])[C@H]1CCCc2cccnc21
O=C(c1cc(-c2ccccc2)on1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1cc(on1)[*:1])N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1
O=C(c1cc(-c2ccccc2)on1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1cc(on1)-c1ccccc1)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
Cc1nc(-c2ccc(NC(=O)N(C)[C@H](C)c3cccc(O)c3)cc2)cs1 Oc1cccc(c1)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)N(C)[C@H](C)[*:1]
Cc1nc(-c2ccc(NC(=O)N(C)[C@H](C)c3cccc(O)c3)cc2)cs1 Cc1nc(cs1)[*:1] C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](O)CNC(=O)CN1CCN(c2ccc3c(c2)OCO3)C1=O C[C@@H](O)[*:1] O=C(CN1CCN(C1=O)c1ccc2OCOc2c1)NC[*:1]
C[C@@H](O)CNC(=O)CN1CCN(c2ccc3c(c2)OCO3)C1=O C[C@@H](O)C[*:1] O=C(CN1CCN(C1=O)c1ccc2OCOc2c1)N[*:1]
C[C@@H](O)CNC(=O)CN1CCN(c2ccc3c(c2)OCO3)C1=O C[C@@H](O)CNC(=O)[*:1] O=C1N(CCN1c1ccc2OCOc2c1)C[*:1]
CSCc1ccc(NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)cc1 CSC[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CSCc1ccc(NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)cc1 CC(C)=CC(=O)N[*:1] CSCc1ccc(cc1)NC(=O)c1ccc(cc1)C[*:1]
CSCc1ccc(NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)cc1 CC(C)=C[*:1] CSCc1ccc(cc1)NC(=O)c1ccc(cc1)CNC(=O)[*:1]
CSCc1ccc(NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)cc1 CC(C)=CC(=O)NC[*:1] CSCc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
O=C(NCc1ccc(Cn2cccn2)cc1)c1cncn1-c1ccc(F)cc1 c1cnn(c1)C[*:1] O=C(NCc1ccc(cc1)[*:1])c1cncn1-c1ccc(F)cc1
O=C(NCc1ccc(Cn2cccn2)cc1)c1cncn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)Cn1cccn1)c1cncn1[*:1]
O=C(NCc1ccc(Cn2cccn2)cc1)c1cncn1-c1ccc(F)cc1 c1cnn(c1)[*:1] O=C(NCc1ccc(cc1)C[*:1])c1cncn1-c1ccc(F)cc1
Nc1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1 Nc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1ccc(cc1)[*:1]
Nc1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1 O=[N+]([O-])[*:1] Nc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)[*:1]
C[C@H]1Sc2ccc(C(=O)N(CCC(N)=O)c3ccccc3)cc2NC1=O c1ccc(cc1)[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)N(CCC(N)=O)[*:1]
C[C@H]1Sc2ccc(C(=O)N(CCC(N)=O)c3ccccc3)cc2NC1=O NC(=O)[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)N(CC[*:1])c1ccccc1
C[C@H]1Sc2ccc(C(=O)N(CCC(N)=O)c3ccccc3)cc2NC1=O NC(=O)CC[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)N(c1ccccc1)[*:1]
C[C@H]1Sc2ccc(C(=O)N(CCC(N)=O)c3ccccc3)cc2NC1=O NC(=O)C[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)N(C[*:1])c1ccccc1
CC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)CSc2cc(C)c(Br)cc2C)cc1 CC(=O)N[*:1] Cc1cc(n(n1)-c1ccc(cc1)NC(=O)CSc1cc(C)c(Br)cc1C)[*:1]
CC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)CSc2cc(C)c(Br)cc2C)cc1 CC(=O)Nc1cc(C)nn1[*:1] Cc1cc(SCC(=O)Nc2ccc(cc2)[*:1])c(C)cc1Br
CC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)CSc2cc(C)c(Br)cc2C)cc1 Cc1cc(c(C)cc1Br)[*:1] CC(=O)Nc1cc(C)nn1-c1ccc(cc1)NC(=O)CS[*:1]
CC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)CSc2cc(C)c(Br)cc2C)cc1 Cc1cc(S[*:1])c(C)cc1Br CC(=O)Nc1cc(C)nn1-c1ccc(cc1)NC(=O)C[*:1]
O=C1c2ccccc2C[C@H]1CC(F)F FC(F)[*:1] O=C1c2ccccc2C[C@H]1C[*:1]
O=C1c2ccccc2C[C@H]1CC(F)F FC(F)C[*:1] O=C1c2ccccc2C[C@@H]1[*:1]
O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(Cl)c(Cl)c1 C1CN(CCO1)CC[*:1] O=C(Nc1nc2ccccc2n1[*:1])c1ccc(Cl)c(Cl)c1
O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(Cl)c(Cl)c1 C1CN(CCO1)C[*:1] O=C(Nc1nc2ccccc2n1C[*:1])c1ccc(Cl)c(Cl)c1
O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(Cl)c(Cl)c1 C1CN(CCO1)[*:1] O=C(Nc1nc2ccccc2n1CC[*:1])c1ccc(Cl)c(Cl)c1
O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(Nc1nc2ccccc2n1CCN1CCOCC1)[*:1]
Cc1ccc(N(C)CC(=O)NCc2ccccc2C)c(C)c1 Cc1ccccc1[*:1] Cc1ccc(c(C)c1)N(C)CC(=O)NC[*:1]
CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 CCOC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c2[*:1]
CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 Clc1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)CS(=O)(=O)[*:1])sc2C[C@@H](C)CCc21
O=C([O-])c1cn2cccc(O)c2n1 O=C([O-])[*:1] Oc1cccn2cc(nc12)[*:1]
C[C@@](O)(CNC(=O)C1(c2ccc(Cl)cc2)CC1)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@](O)(CNC(=O)C1(CC1)c1ccc(Cl)cc1)[*:1]
C[C@@](O)(CNC(=O)C1(c2ccc(Cl)cc2)CC1)CN1CCOCC1 Clc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)C1(CC1)[*:1])CN1CCOCC1
C[C@@](O)(CNC(=O)C1(c2ccc(Cl)cc2)CC1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@](O)(CNC(=O)C1(CC1)c1ccc(Cl)cc1)C[*:1]
CNc1cc(C)ccc1C(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CNc1cc(C)ccc1C(=O)N[C@H](C)C[*:1]
CNc1cc(C)ccc1C(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CNc1cc(C)ccc1C(=O)N[C@H](C)[*:1]
C[C@H](CCOc1ccccc1)C(=O)N1CCCN(CC(F)(F)F)CC1 c1ccc(cc1)O[*:1] C[C@H](CC[*:1])C(=O)N1CCCN(CC1)CC(F)(F)F
C[C@H](CCOc1ccccc1)C(=O)N1CCCN(CC(F)(F)F)CC1 c1ccc(cc1)OC[*:1] C[C@H](C[*:1])C(=O)N1CCCN(CC1)CC(F)(F)F
C[C@H](CCOc1ccccc1)C(=O)N1CCCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] C[C@H](CCOc1ccccc1)C(=O)N1CCCN(CC1)[*:1]
C[C@H](CCOc1ccccc1)C(=O)N1CCCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] C[C@H](CCOc1ccccc1)C(=O)N1CCCN(CC1)C[*:1]
C[C@H](CCOc1ccccc1)C(=O)N1CCCN(CC(F)(F)F)CC1 c1ccc(cc1)[*:1] C[C@H](CCO[*:1])C(=O)N1CCCN(CC1)CC(F)(F)F
COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1=O Clc1ccc(Cl)c(c1)[*:1] COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@@H](O)CO[*:1])C1=O
COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1=O Clc1ccc(Cl)c(c1)OC[*:1] COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@@H](O)[*:1])C1=O
COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1=O Clc1ccc(Cl)c(c1)O[*:1] COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@@H](O)C[*:1])C1=O
CC(=O)N(CCc1ccccc1)CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)N1CCCC[C@@H]1c1cn[nH]c1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)N1CCCC[C@@H]1c1cn[nH]c1
CC(=O)N(CCc1ccccc1)CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 c1n[nH]cc1[*:1] CC(=O)N(CCc1ccccc1)CC(=O)N1CCCC[C@H]1[*:1]
O=C(CSc1ccc(F)cc1)OCCn1c(=O)oc2ccccc21 Fc1ccc(cc1)[*:1] O=C(CS[*:1])OCCn1c(=O)oc2ccccc21
O=C(CSc1ccc(F)cc1)OCCn1c(=O)oc2ccccc21 Fc1ccc(cc1)S[*:1] O=C(C[*:1])OCCn1c(=O)oc2ccccc21
CC(C)=C[C@H]1[C@H](C(=O)NCc2coc(-c3cccs3)n2)C1(C)C c1csc(c1)[*:1] CC(C)=C[C@H]1[C@H](C(=O)NCc2coc(n2)[*:1])C1(C)C
CC(C)=C[C@H]1[C@H](C(=O)NCc2coc(-c3cccs3)n2)C1(C)C CC(C)=C[*:1] CC1(C)[C@@H](C(=O)NCc2coc(n2)-c2cccs2)[C@@H]1[*:1]
O=C(NNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1csc(N2CCOCC2)n1 Clc1ccc(cc1)[*:1] O=C(NNC(=O)c1ccc(s1)[*:1])c1csc(n1)N1CCOCC1
O=C(NNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1csc(N2CCOCC2)n1 C1CN(CCO1)[*:1] O=C(NNC(=O)c1ccc(s1)-c1ccc(Cl)cc1)c1csc(n1)[*:1]
C[C@](N)(C(=O)N1CC[C@H](O)C1)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(C(=O)N1CC[C@H](O)C1)[*:1]
Cc1ncccc1NC(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1 Cc1ncccc1[*:1] Cc1[nH]c2ccccc2c1C1=CCN(CC1)C(=O)N[*:1]
Cc1nc(-c2ccsc2)ccc1C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1 CN(C(=O)[*:1])C1CC1 Cc1nc(ccc1C(=O)N1CSC[C@H]1[*:1])-c1ccsc1
Cc1nc(-c2ccsc2)ccc1C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1 c1cc(cs1)[*:1] Cc1nc(ccc1C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1)[*:1]
Cc1nc(-c2ccsc2)ccc1C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1 C1CC1[*:1] Cc1nc(ccc1C(=O)N1CSC[C@@H]1C(=O)N(C)[*:1])-c1ccsc1
CC[C@H]1CO[C@H](C)CN1CC1(CS)CC1 SCC1(CC1)[*:1] CC[C@H]1CO[C@H](C)CN1C[*:1]
O=C(NC1CC1)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 C1CC1[*:1] O=C(N[*:1])[C@H](Sc1nnc(o1)-c1ccccc1)c1ccccc1
O=C(NC1CC1)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 O=C(NC1CC1)[*:1] c1ccc(cc1)-c1nnc(o1)S[C@H](c1ccccc1)[*:1]
O=C(NC1CC1)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@H](Sc1nnc(o1)[*:1])c1ccccc1
O=C(NC1CC1)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@H](Sc1nnc(o1)-c1ccccc1)[*:1]
CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)CCOC)ccc1C COCC[C@H](C)[*:1] CNS(=O)(=O)c1cc(ccc1C)NC(=O)[*:1]
CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)CCOC)ccc1C COCC[*:1] CNS(=O)(=O)c1cc(ccc1C)NC(=O)[C@@H](C)[*:1]
CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)CCOC)ccc1C CNS(=O)(=O)[*:1] COCC[C@H](C)C(=O)Nc1ccc(C)c(c1)[*:1]
CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)CCOC)ccc1C COC[*:1] CNS(=O)(=O)c1cc(ccc1C)NC(=O)[C@@H](C)C[*:1]
CC(C)(O)C[C@]1(C(=O)[O-])CCc2ccccc2C1 CC(C)(O)[*:1] O=C([O-])[C@]1(CCc2ccccc2C1)C[*:1]
CC(C)(O)C[C@]1(C(=O)[O-])CCc2ccccc2C1 O=C([O-])[*:1] CC(C)(O)C[C@@]1(CCc2ccccc2C1)[*:1]
CC(C)(O)C[C@]1(C(=O)[O-])CCc2ccccc2C1 CC(C)(O)C[*:1] O=C([O-])[C@@]1(CCc2ccccc2C1)[*:1]
CCCCNC(=O)Nc1ccc(Br)cn1 CCC[*:1] O=C(NC[*:1])Nc1ccc(Br)cn1
CCCCNC(=O)Nc1ccc(Br)cn1 CCCC[*:1] O=C(Nc1ccc(Br)cn1)N[*:1]
Cc1cc(Br)cnc1C[C@@H]([NH3+])C(C)(C)C CC(C)(C)[*:1] Cc1cc(Br)cnc1C[C@@H]([NH3+])[*:1]
Cc1nc(NC(=O)CNC(=O)c2ccc(F)cc2)sc1-c1nccn1C(F)F Fc1ccc(cc1)[*:1] Cc1nc(NC(=O)CNC(=O)[*:1])sc1-c1nccn1C(F)F
Cc1nc(NC(=O)CNC(=O)c2ccc(F)cc2)sc1-c1nccn1C(F)F FC(F)[*:1] Cc1nc(NC(=O)CNC(=O)c2ccc(F)cc2)sc1-c1nccn1[*:1]
Cc1nc(NC(=O)CNC(=O)c2ccc(F)cc2)sc1-c1nccn1C(F)F FC(F)n1ccnc1[*:1] Cc1nc(NC(=O)CNC(=O)c2ccc(F)cc2)sc1[*:1]
CC1CCC(OCCCn2cnc3c(N)ncnc32)CC1 CC1CCC(CC1)[*:1] Nc1ncnc2c1ncn2CCCO[*:1]
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccn(-c3ccccc3)n2)CC1 Clc1ccc(cc1)[*:1] O=C(N1CCN(CC1)Cc1ccn(n1)-c1ccccc1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccn(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1)N1CCN(CC1)Cc1ccn(n1)[*:1]
C/[NH+]=C(/NCc1cn2c(C)cccc2[nH+]1)NCc1ncnn1C Cn1ncnc1C[*:1] C/[NH+]=C(/NCc1cn2c(C)cccc2[nH+]1)N[*:1]
C/[NH+]=C(/NCc1cn2c(C)cccc2[nH+]1)NCc1ncnn1C Cn1ncnc1[*:1] C/[NH+]=C(/NCc1cn2c(C)cccc2[nH+]1)NC[*:1]
CC[NH2+][C@H](C)c1ccc(O[C@@H](C)C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CC[NH2+][C@H](C)c1ccc(cc1)O[C@@H](C)[*:1]
COC(=O)c1cc(Br)ccc1S(=O)(=O)/N=c1\[nH]cccc1C COC(=O)[*:1] Cc1ccc[nH]/c1=N\S(=O)(=O)c1ccc(Br)cc1[*:1]
CSc1nc(C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)c2ccccn12 Cc1cc(C)n(n1)[*:1] CSc1nc(C(=O)NCc2ccc(nc2)[*:1])c2ccccn12
COCc1cccc(OC[C@@H](CS)c2ccccc2)c1 COC[*:1] SC[C@H](COc1cccc(c1)[*:1])c1ccccc1
COCc1cccc(OC[C@@H](CS)c2ccccc2)c1 c1ccc(cc1)[*:1] COCc1cccc(c1)OC[C@@H](CS)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)CCc1ccc2c(c1)OCO2 CCC[*:1] O=C(CCc1ccc2OCOc2c1)N[C@H]1C[C@H]1[*:1]
CCc1ncc(CN(C)[C@H](C)C(=O)NC(=O)NC2CC2)s1 C1CC1[*:1] CCc1ncc(CN(C)[C@H](C)C(=O)NC(=O)N[*:1])s1
CCc1ncc(CN(C)[C@H](C)C(=O)NC(=O)NC2CC2)s1 CCc1ncc(s1)[*:1] C[C@H](C(=O)NC(=O)NC1CC1)N(C)C[*:1]
CC[C@H](C)[C@H](C)[NH2+]CCNC(=O)c1c(F)cccc1F CC[C@H](C)[*:1] C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[*:1]
Cc1nn(C)c2sc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)cc12 CC(C)[*:1] Cc1nn(C)c2sc(cc12)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1nn(C)c2sc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)cc12 CC(C)C(=O)N[*:1] Cc1nn(C)c2sc(cc12)C(=O)Nc1ccc(cc1)[*:1]
O=S(=O)(/C=C/c1ccccc1)NCCCc1nc2c(s1)CCCC2 c1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])NCCCc1nc2CCCCc2s1
O=S(=O)(/C=C/c1ccccc1)NCCCc1nc2c(s1)CCCC2 C(=C[*:1])c1ccccc1 O=S(=O)(NCCCc1nc2CCCCc2s1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)[C@@H]1CCCN(C1)C(=O)c1ccncc1
CC(C)N(C[C@H]1CCCCO1)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 c1cc(ccn1)[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 CC(C)[*:1] O=C(c1ccncc1)N1CCC[C@H](C1)C(=O)N(C[C@H]1CCCCO1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)[C@@H]1CCCN(C1)C(=O)c1ccncc1)[*:1]
Cc1cnn(CCC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1 Cc1cnn(c1)C[*:1] C[C@@H]1CN(CCCNC(=O)C[*:1])C[C@@H](C)O1
Cc1cnn(CCC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1 Cc1cnn(c1)[*:1] C[C@@H]1CN(CCCNC(=O)CC[*:1])C[C@@H](C)O1
Cc1ccccc1-n1cc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cn1 Fc1ccc(cc1)C[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N1CCC(CC1)O[*:1]
Cc1ccccc1-n1cc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cn1 Fc1ccc(cc1)CO[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N1CCC(CC1)[*:1]
Cc1ccccc1-n1cc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cn1 Fc1ccc(cc1)[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N1CCC(CC1)OC[*:1]
Cc1ccccc1-n1cc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cn1 Cc1ccccc1[*:1] O=C(c1cnn(c1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
CCC[C@@H](CCO)CNC(=O)c1ccc2nc(Cl)ccc2c1 CCC[*:1] O=C(NC[C@H](CCO)[*:1])c1ccc2nc(Cl)ccc2c1
CCC[C@@H](CCO)CNC(=O)c1ccc2nc(Cl)ccc2c1 OCC[*:1] CCC[C@@H](CNC(=O)c1ccc2nc(Cl)ccc2c1)[*:1]
C[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)N[C@H](C)c1ccc(F)cc1 c1csc(c1)[*:1] C[C@H](Sc1nnc(n1N)[*:1])C(=O)N[C@H](C)c1ccc(F)cc1
C[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)N[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)N[C@H](C)[*:1]
CCn1c(Sc2ccc3nnc(C)n3n2)nnc1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCn1c(nnc1[*:1])Sc1ccc2nnc(C)n2n1
C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)C(C)(C)C C1CN(CCO1)[*:1] C[C@H](NC(=O)N(C)C[C@H](O)C[*:1])C(C)(C)C
C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)C(C)(C)C C[C@H](C(C)(C)C)[*:1] CN(C[C@H](O)CN1CCOCC1)C(=O)N[*:1]
C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)C(C)(C)C C1CN(CCO1)C[*:1] C[C@H](NC(=O)N(C)C[C@H](O)[*:1])C(C)(C)C
C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)C(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)[*:1]
O=C(NCC[C@@H](O)c1cccc2ccccc12)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCC[C@@H](O)c1cccc2ccccc12)C(=O)N[*:1]
O=C(c1nc(C2CC2)n2ccccc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 C1CC1[*:1] O=C(c1nc(n2ccccc12)[*:1])N1CC[C@@]2(O)CCCC[C@@H]2C1
CSc1cccc(NC(=O)CN(C)c2c(C)noc2C)c1 Cc1noc(C)c1[*:1] CSc1cccc(c1)NC(=O)CN(C)[*:1]
CSCc1ccnc(N2CCC[C@@H]([C@@H](C)O)C2)c1 CSC[*:1] C[C@@H](O)[C@@H]1CCCN(C1)c1cc(ccn1)[*:1]
CSCc1ccnc(N2CCC[C@@H]([C@@H](C)O)C2)c1 C[C@@H](O)[*:1] CSCc1ccnc(c1)N1CCC[C@@H](C1)[*:1]
CC1(C)CC(NC(=O)NCc2ccnc(OC3CCCC3)c2)CC(C)(C)[NH2+]1 C1CCC(C1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)NCc1ccnc(c1)O[*:1]
CC1(C)CC(NC(=O)NCc2ccnc(OC3CCCC3)c2)CC(C)(C)[NH2+]1 C1CCC(C1)O[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)NCc1ccnc(c1)[*:1]
COC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CCC2 COC(=O)[*:1] C[C@@H](Cl)C(=O)Nc1sc2CCCc2c1[*:1]
COC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CCC2 C[C@@H](Cl)[*:1] COC(=O)c1c(NC(=O)[*:1])sc2CCCc21
COC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CCC2 C[C@@H](Cl)C(=O)N[*:1] COC(=O)c1c(sc2CCCc21)[*:1]
O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1ccccc1O c1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(o1)[*:1])c1ccccc1O
O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1ccccc1O Oc1ccccc1[*:1] O=C(N/N=C/c1ccc(o1)-c1ccccc1)[*:1]
CC[C@H](CSC)N(C)C(=O)N[C@H](C)c1c(F)cccc1OC CSC[*:1] CC[C@H](N(C)C(=O)N[C@H](C)c1c(F)cccc1OC)[*:1]
O=C1C[C@@H](C(=O)OCc2nc(C3CC3)cs2)c2ccc(F)cc2N1 c1sc(nc1C1CC1)[*:1] O=C1C[C@@H](C(=O)OC[*:1])c2ccc(F)cc2N1
O=C1C[C@@H](C(=O)OCc2nc(C3CC3)cs2)c2ccc(F)cc2N1 C1CC1[*:1] O=C1C[C@@H](C(=O)OCc2nc(cs2)[*:1])c2ccc(F)cc2N1
O=C(CSC1=NC2(CCCCC2)N=C1c1ccccc1)Nc1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(CSC1=NC2(CCCCC2)N=C1[*:1])Nc1ccc2OCCOc2c1
O=C(CSC1=NC2(CCCCC2)N=C1c1ccccc1)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(CSC1=NC2(CCCCC2)N=C1c1ccccc1)N[*:1]
CC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 Clc1cccc(c1)[*:1] CC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
CC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 Clc1cccc(c1)[*:1] CC(=O)C1=NN([C@@H]2C(=O)N(C(=O)[C@@H]12)c1cccc(Cl)c1)[*:1]
C[C@H](CC1CCOCC1)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 C1CC(CCO1)C[*:1] C[C@H]([NH2+]Cc1ccn(n1)-c1ccc(F)cc1)[*:1]
C[C@H](CC1CCOCC1)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] C[C@H](CC1CCOCC1)[NH2+]Cc1ccn(n1)[*:1]
C[C@H](CC1CCOCC1)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 C1CC(CCO1)[*:1] C[C@H](C[*:1])[NH2+]Cc1ccn(n1)-c1ccc(F)cc1
Cc1csc(CCCCNC(=O)[C@H]2COc3ccc(F)cc3C2)n1 Cc1csc(n1)[*:1] O=C(NCCCC[*:1])[C@H]1COc2ccc(F)cc2C1
Cc1csc(CCCCNC(=O)[C@H]2COc3ccc(F)cc3C2)n1 Cc1csc(C[*:1])n1 O=C(NCCC[*:1])[C@H]1COc2ccc(F)cc2C1
Cc1csc(CCCCNC(=O)[C@H]2COc3ccc(F)cc3C2)n1 Cc1csc(CC[*:1])n1 O=C(NCC[*:1])[C@H]1COc2ccc(F)cc2C1
Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2F)cc1C NS(=O)(=O)[*:1] Cc1ccc(cc1C)C(=O)Nc1ccc(cc1F)[*:1]
O=C(CCn1cccn1)Nc1ccc(Br)c2ccccc12 c1cnn(c1)CC[*:1] O=C(Nc1ccc(Br)c2ccccc12)[*:1]
O=C(CCn1cccn1)Nc1ccc(Br)c2ccccc12 c1cnn(c1)C[*:1] O=C(C[*:1])Nc1ccc(Br)c2ccccc12
O=C(CCn1cccn1)Nc1ccc(Br)c2ccccc12 c1cnn(c1)[*:1] O=C(CC[*:1])Nc1ccc(Br)c2ccccc12
N#C/C(=C\Nc1ccccn1)c1nc2ccccc2s1 c1ccc(nc1)[*:1] N#C/C(=C\N[*:1])c1nc2ccccc2s1
CN(c1ccccc1)C1CCN(C(=O)c2c(O)cccc2O)CC1 Oc1cccc(O)c1[*:1] CN(c1ccccc1)C1CCN(CC1)C(=O)[*:1]
CN(c1ccccc1)C1CCN(C(=O)c2c(O)cccc2O)CC1 CN(c1ccccc1)[*:1] O=C(c1c(O)cccc1O)N1CCC(CC1)[*:1]
CN(c1ccccc1)C1CCN(C(=O)c2c(O)cccc2O)CC1 c1ccc(cc1)[*:1] CN(C1CCN(CC1)C(=O)c1c(O)cccc1O)[*:1]
CCCCNC(=O)[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1 CCCCNC(=O)[*:1] O=C(c1cccc(F)c1)N1[C@H](SC[C@H]1[*:1])C1CCCCC1
CCCCNC(=O)[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCCCNC(=O)[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)[*:1]
CCCCNC(=O)[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1 CCC[*:1] O=C(NC[*:1])[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1
CCCCNC(=O)[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1 C1CCC(CC1)[*:1] CCCCNC(=O)[C@@H]1CS[C@H](N1C(=O)c1cccc(F)c1)[*:1]
CCCCNC(=O)[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1 CCCC[*:1] O=C(N[*:1])[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1
CCOc1ccc(NC(=O)C(=O)NCc2c(C)nn(CC)c2C)cc1C CCO[*:1] CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(c(C)c2)[*:1])c1C
CC(C)(C)C1=Cc2cc3cc(C(C)(C)C)[nH]c(=O)c3cc2[S@@](=O)(O)=N1 CC(C)(C)[*:1] CC(C)(C)C1=Cc2cc3cc([nH]c(=O)c3cc2[S@@](=O)(O)=N1)[*:1]
CC(C)(C)C1=Cc2cc3cc(C(C)(C)C)[nH]c(=O)c3cc2[S@@](=O)(O)=N1 CC(C)(C)[*:1] CC(C)(C)c1cc2cc3C=C(N=[S@](=O)(O)c3cc2c(=O)[nH]1)[*:1]
O=[N+]([O-])c1ccc(-c2nc(Cn3ccc(-c4ccccc4)n3)co2)cc1 O=[N+]([O-])[*:1] c1ccc(cc1)-c1ccn(Cc2coc(n2)-c2ccc(cc2)[*:1])n1
O=[N+]([O-])c1ccc(-c2nc(Cn3ccc(-c4ccccc4)n3)co2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)Cn1ccc(n1)[*:1]
O=C([C@H](O)c1ccccc1)N1CCS[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C([C@H](O)[*:1])N1CCS[C@@H](C1)c1ccccc1
O=C([C@H](O)c1ccccc1)N1CCS[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C([C@H](O)c1ccccc1)N1CCS[C@H](C1)[*:1]
CCN[C@@H](Cc1ccc(Br)cc1F)C[NH+](C)C CCN[*:1] C[NH+](C)C[C@H](Cc1ccc(Br)cc1F)[*:1]
Cc1oc(C(=O)N(C)c2cccc(C(C)C)c2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N(C)c1cccc(c1)C(C)C
Cc1oc(C(=O)N(C)c2cccc(C(C)C)c2)cc1S(=O)(=O)N(C)C CC(C)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)N(C)c1cccc(c1)[*:1]
C#CCNC(=O)N[C@H](CC(C)C)c1ccccc1 C#CC[*:1] CC(C)C[C@@H](NC(=O)N[*:1])c1ccccc1
C#CCNC(=O)N[C@H](CC(C)C)c1ccccc1 c1ccc(cc1)[*:1] C#CCNC(=O)N[C@H](CC(C)C)[*:1]
C#CCNC(=O)N[C@H](CC(C)C)c1ccccc1 CC(C)C[*:1] C#CCNC(=O)N[C@H](c1ccccc1)[*:1]
C#CCNC(=O)N[C@H](CC(C)C)c1ccccc1 CC(C)[*:1] C#CCNC(=O)N[C@H](C[*:1])c1ccccc1
O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccc(C(F)(F)F)cc1 O=C(N1CCCC1)[*:1] O=C(CS(=O)(=O)c1cn(C[*:1])c2ccccc12)Nc1ccc(cc1)C(F)(F)F
O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccc(cc1)[*:1]
O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)N[*:1]
O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccc(C(F)(F)F)cc1 O=C(C[*:1])N1CCCC1 O=C(CS(=O)(=O)c1cn(c2ccccc12)[*:1])Nc1ccc(cc1)C(F)(F)F
CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc[nH]n3)[C@H]4C2=O)cc1 CC(C)[*:1] CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)c1ccc(cc1)[*:1])O2
CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc[nH]n3)[C@H]4C2=O)cc1 c1cc(n[nH]1)[*:1] CC(C)c1ccc(cc1)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)C[*:1])[C@H]3C1=O
CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3cc[nH]n3)[C@H]4C2=O)cc1 CC(C)c1ccc(cc1)[*:1] CN(Cc1cc[nH]n1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2
COC(=O)COc1ccc(NC(=O)c2cc(C#N)cn2C)c(C)c1 COC(=O)C[*:1] Cc1cc(ccc1NC(=O)c1cc(C#N)cn1C)O[*:1]
COC(=O)COc1ccc(NC(=O)c2cc(C#N)cn2C)c(C)c1 Cn1cc(C#N)cc1[*:1] COC(=O)COc1ccc(NC(=O)[*:1])c(C)c1
COC(=O)COc1ccc(NC(=O)c2cc(C#N)cn2C)c(C)c1 COC(=O)[*:1] Cc1cc(ccc1NC(=O)c1cc(C#N)cn1C)OC[*:1]
COC(=O)COc1ccc(NC(=O)c2cc(C#N)cn2C)c(C)c1 COC(=O)CO[*:1] Cc1cc(ccc1NC(=O)c1cc(C#N)cn1C)[*:1]
CCN(Cc1cccc(C)c1)C(=O)CCn1c(C)csc1=O Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)CCn1c(C)csc1=O
CCN(Cc1cccc(C)c1)C(=O)CCn1c(C)csc1=O Cc1csc(=O)n1[*:1] CCN(Cc1cccc(C)c1)C(=O)CC[*:1]
Cn1cc(CNc2cccc(NC(=O)C3CCCCC3)c2)c(C(C)(C)C)n1 C1CCC(CC1)[*:1] Cn1cc(CNc2cccc(c2)NC(=O)[*:1])c(n1)C(C)(C)C
Cn1cc(CNc2cccc(NC(=O)C3CCCCC3)c2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(CNc2cccc(c2)NC(=O)C2CCCCC2)c(n1)[*:1]
Cn1cc(CNc2cccc(NC(=O)C3CCCCC3)c2)c(C(C)(C)C)n1 O=C(N[*:1])C1CCCCC1 Cn1cc(CNc2cccc(c2)[*:1])c(n1)C(C)(C)C
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2csc3ccccc23)CC1 N#Cc1cccc(c1)[*:1] C[C@H](C(=O)N[*:1])N1CC[NH+](CC1)Cc1csc2ccccc12
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2csc3ccccc23)CC1 c1ccc2c(csc2c1)[*:1] C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](CC1)C[*:1]
O=C(Cl)C1=CCCc2ccccc21 O=C(Cl)[*:1] C1CCc2ccccc2C=1[*:1]
FC(F)(F)c1ccc(Cl)c(CCl)c1 FC(F)(F)[*:1] ClCc1cc(ccc1Cl)[*:1]
COC(=O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1O COC(=O)CC[*:1] O=C(Nc1cc(Cl)ccc1O)C(=O)N[*:1]
COC(=O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1O COC(=O)C[*:1] O=C(NC[*:1])C(=O)Nc1cc(Cl)ccc1O
COC(=O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1O COC(=O)[*:1] O=C(NCC[*:1])C(=O)Nc1cc(Cl)ccc1O
COc1ccc([C@H](C)Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)c(OC)c1 CC(C)(C)[*:1] COc1ccc(c(c1)OC)[C@H](C)Nc1nc2c(cnn2[*:1])c(=O)[nH]1
O=C(c1ccc(-n2ccnn2)cc1)N1CCOC2(CCCCCC2)C1 c1cn(nn1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCOC2(CCCCCC2)C1
CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O CCC[*:1] NC(=O)c1ccc(cc1)NC(=O)CN1C(=O)C(=O)N(C[*:1])C1=O
CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O CCCC[*:1] NC(=O)c1ccc(cc1)NC(=O)CN1C(=O)C(=O)N(C1=O)[*:1]
CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O NC(=O)[*:1] CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O
C[C@@H]1CCCC[C@@H]1OCCSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C C[C@@H]1CCCC[C@H]1[*:1] Cn1c(nnc1[C@@H]1CCS(=O)(=O)C1)SCCO[*:1]
C[C@@H]1CCCC[C@@H]1OCCSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C C[C@@H]1CCCC[C@@H]1O[*:1] Cn1c(nnc1[C@@H]1CCS(=O)(=O)C1)SCC[*:1]
C[C@@H]1CCCC[C@@H]1OCCSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C O=S1(=O)CC[C@H](C1)[*:1] C[C@@H]1CCCC[C@@H]1OCCSc1nnc(n1C)[*:1]
O=C(NC[C@H](O)c1ccccc1F)Nc1ccc2c(c1)OCCO2 Fc1ccccc1[*:1] O=C(NC[C@H](O)[*:1])Nc1ccc2OCCOc2c1
O=C(Cn1cnc(NC(=O)c2ccccc2)n1)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(Cn1cnc(n1)NC(=O)[*:1])Nc1ccccc1F
O=C(Cn1cnc(NC(=O)c2ccccc2)n1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1cnc(n1)NC(=O)c1ccccc1)N[*:1]
CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccc(cc1)[*:1]
CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccc(CN2CCCC2=O)cc1 CC(C)(C)[*:1] O=C1CCCN1Cc1ccc(cc1)CNC(=O)N1CCC[C@H]1C[*:1]
CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccc(CN2CCCC2=O)cc1 CC(C)(C)C[*:1] O=C1CCCN1Cc1ccc(cc1)CNC(=O)N1CCC[C@H]1[*:1]
CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccc(cc1)C[*:1]
Fc1cccc(-c2nnc([C@H]([NH2+]Cc3ccccc3)c3ccc(Cl)cc3)o2)c1 c1ccc(cc1)C[*:1] Fc1cccc(c1)-c1nnc(o1)[C@H]([NH2+][*:1])c1ccc(Cl)cc1
Fc1cccc(-c2nnc([C@H]([NH2+]Cc3ccccc3)c3ccc(Cl)cc3)o2)c1 c1ccc(cc1)[*:1] Fc1cccc(c1)-c1nnc(o1)[C@H]([NH2+]C[*:1])c1ccc(Cl)cc1
Fc1cccc(-c2nnc([C@H]([NH2+]Cc3ccccc3)c3ccc(Cl)cc3)o2)c1 Fc1cccc(c1)[*:1] Clc1ccc(cc1)[C@@H]([NH2+]Cc1ccccc1)c1nnc(o1)[*:1]
Fc1cccc(-c2nnc([C@H]([NH2+]Cc3ccccc3)c3ccc(Cl)cc3)o2)c1 Clc1ccc(cc1)[*:1] Fc1cccc(c1)-c1nnc(o1)[C@H]([NH2+]Cc1ccccc1)[*:1]
CC(=O)c1cc(Cl)ccc1OC(=O)c1nc(S(C)(=O)=O)ncc1Cl CC(=O)[*:1] CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Oc1ccc(Cl)cc1[*:1]
CC(=O)c1cc(Cl)ccc1OC(=O)c1nc(S(C)(=O)=O)ncc1Cl CS(=O)(=O)[*:1] CC(=O)c1cc(Cl)ccc1OC(=O)c1nc(ncc1Cl)[*:1]
Cc1ccc(NC(=O)NC(C)(C)c2ncc(C)s2)c(F)c1 Cc1cnc(s1)[*:1] Cc1ccc(NC(=O)NC(C)(C)[*:1])c(F)c1
COCCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccncc1 COCC[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N(c1ccncc1)[*:1]
COCCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccncc1 c1cc(ccn1)[*:1] COCCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
COCCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccncc1 COC[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N(C[*:1])c1ccncc1
COCCNc1nc(SCc2cc(F)cc3c2OCOC3)nc2ccccc12 COCCN[*:1] Fc1cc2COCOc2c(c1)CSc1nc(c2ccccc2n1)[*:1]
COCCNc1nc(SCc2cc(F)cc3c2OCOC3)nc2ccccc12 COCC[*:1] Fc1cc2COCOc2c(c1)CSc1nc(N[*:1])c2ccccc2n1
COCCNc1nc(SCc2cc(F)cc3c2OCOC3)nc2ccccc12 COC[*:1] Fc1cc2COCOc2c(c1)CSc1nc(NC[*:1])c2ccccc2n1
Cc1ccc(O[C@H](C)C(=O)N/N=C/c2cccnc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N/N=C/c1cccnc1
Cc1ccc(O[C@H](C)C(=O)N/N=C/c2cccnc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)NN=C[*:1]
COCCOc1cccc(CN2CCN(C(=O)[C@@H](C)O)CC2)c1 COCCO[*:1] C[C@@H](O)C(=O)N1CCN(CC1)Cc1cccc(c1)[*:1]
COCCOc1cccc(CN2CCN(C(=O)[C@@H](C)O)CC2)c1 COC[*:1] C[C@@H](O)C(=O)N1CCN(CC1)Cc1cccc(c1)OC[*:1]
COCCOc1cccc(CN2CCN(C(=O)[C@@H](C)O)CC2)c1 COCC[*:1] C[C@@H](O)C(=O)N1CCN(CC1)Cc1cccc(c1)O[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(cc1)[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] N#C[C@@H]([C@@H]1CCCN1c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(NCc1ccc(F)cc1F)[C@@H]1CCCN(C(=O)NC2CC2)C1 Fc1ccc(c(F)c1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)NC1CC1
O=C(NCc1ccc(F)cc1F)[C@@H]1CCCN(C(=O)NC2CC2)C1 C1CC1[*:1] O=C(NCc1ccc(F)cc1F)[C@@H]1CCCN(C1)C(=O)N[*:1]
C=CCNC(=O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 C=CCNC(=O)C[*:1] O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](CC1)[*:1]
C=CCNC(=O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 C=CC[*:1] O=C(C[NH+]1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl)N[*:1]
C=CCNC(=O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 C=CCNC(=O)[*:1] O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](CC1)C[*:1]
C=CCNC(=O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 Clc1ccc(Cl)c(c1)[*:1] C=CCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)[*:1]
CC(C)c1cccc2sc(N(C[C@@H]3CCCO3)C(=O)CCc3ccccc3)nc12 CC(C)[*:1] O=C(CCc1ccccc1)N(C[C@@H]1CCCO1)c1nc2c(cccc2s1)[*:1]
CC(C)c1cccc2sc(N(C[C@@H]3CCCO3)C(=O)CCc3ccccc3)nc12 c1ccc(cc1)[*:1] CC(C)c1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)CC[*:1]
CC(C)c1cccc2sc(N(C[C@@H]3CCCO3)C(=O)CCc3ccccc3)nc12 c1ccc(cc1)C[*:1] CC(C)c1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)C[*:1]
CC(C)c1cccc2sc(N(C[C@@H]3CCCO3)C(=O)CCc3ccccc3)nc12 c1ccc(cc1)CC[*:1] CC(C)c1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)[*:1]
CC1=N[C@@H](SCC(=O)N[C@@H]2SC3=C(CCCC3)[C@H]2C#N)N=C1C(C)C CC(C)[*:1] CC1=N[C@H](N=C1[*:1])SCC(=O)N[C@@H]1SC2CCCCC=2[C@H]1C#N
CNC(=O)c1cccc(-c2ccc(O)c(F)c2)c1 CNC(=O)[*:1] Oc1ccc(cc1F)-c1cccc(c1)[*:1]
C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1cccc(N2CCOC2=O)c1 CC(C)(c1ccncc1)[*:1] C[C@@H](NC(=O)NC[*:1])c1cccc(c1)N1CCOC1=O
C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1cccc(N2CCOC2=O)c1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)NCC(C)(C)[*:1])c1cccc(c1)N1CCOC1=O
Cc1cc(C(=O)N(CCO)Cc2ccccc2)c2c(C)nn(C)c2n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N(CCO)C[*:1])c2c(C)nn(C)c2n1
Cc1cc(C(=O)N(CCO)Cc2ccccc2)c2c(C)nn(C)c2n1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)N(CCO)[*:1])c2c(C)nn(C)c2n1
Cc1cc(C(=O)N(CCO)Cc2ccccc2)c2c(C)nn(C)c2n1 OCC[*:1] Cc1cc(C(=O)N(Cc2ccccc2)[*:1])c2c(C)nn(C)c2n1
CC[C@@H](C)C[C@@]1(CC)O[C@@]1(C(=O)OC)C(C)C CC[C@@H](C)[*:1] CC[C@]1(C[*:1])O[C@@]1(C(=O)OC)C(C)C
CC[C@@H](C)C[C@@]1(CC)O[C@@]1(C(=O)OC)C(C)C CC(C)[*:1] CC[C@@H](C)C[C@@]1(CC)O[C@]1(C(=O)OC)[*:1]
CC[C@@H](C)C[C@@]1(CC)O[C@@]1(C(=O)OC)C(C)C CC[C@@H](C)C[*:1] CC[C@]1(O[C@@]1(C(=O)OC)C(C)C)[*:1]
CC[C@@H](C)C[C@@]1(CC)O[C@@]1(C(=O)OC)C(C)C COC(=O)[*:1] CC[C@@H](C)C[C@@]1(CC)O[C@]1(C(C)C)[*:1]
COCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 COCCO[*:1] Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(c1)[*:1]
COCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCOc1cc(C)ccc1NS(=O)(=O)[*:1]
COCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 COC[*:1] Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(c1)OC[*:1]
COCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 COCC[*:1] Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(c1)O[*:1]
CCN(C(=O)C[C@H](NC(N)=O)c1cccs1)[C@H]1CCCC[C@@H]1C NC(=O)N[*:1] CCN(C(=O)C[C@H](c1cccs1)[*:1])[C@H]1CCCC[C@@H]1C
CCN(C(=O)C[C@H](NC(N)=O)c1cccs1)[C@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@@H]1[*:1] CCN(C(=O)C[C@H](NC(N)=O)c1cccs1)[*:1]
CCN(C(=O)C[C@H](NC(N)=O)c1cccs1)[C@H]1CCCC[C@@H]1C c1csc(c1)[*:1] CCN(C(=O)C[C@H](NC(N)=O)[*:1])[C@H]1CCCC[C@@H]1C
Cc1cc(C(=O)N2CCN(c3ccc4cccc(-c5ccc(F)cc5)c4n3)CC2)nn1C Fc1ccc(cc1)[*:1] Cc1cc(nn1C)C(=O)N1CCN(CC1)c1ccc2cccc(c2n1)[*:1]
Cc1cc(C(=O)N2CCN(c3ccc4cccc(-c5ccc(F)cc5)c4n3)CC2)nn1C Cc1cc(nn1C)[*:1] O=C(N1CCN(CC1)c1ccc2cccc(-c3ccc(F)cc3)c2n1)[*:1]
C[C@H](NC(=O)COc1ccccc1F)c1cccc(C#N)c1 Fc1ccccc1[*:1] C[C@H](NC(=O)CO[*:1])c1cccc(C#N)c1
CO[C@H](C)C(=O)N1CCCN(c2nc(C)ns2)CC1 CO[C@H](C)[*:1] Cc1nsc(n1)N1CCCN(CC1)C(=O)[*:1]
CO[C@H](C)C(=O)N1CCCN(c2nc(C)ns2)CC1 Cc1nsc(n1)[*:1] CO[C@H](C)C(=O)N1CCCN(CC1)[*:1]
CC(C)CCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O CC(C)C[*:1] C[C@H](CC[*:1])NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
CC(C)CCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O CC(C)[*:1] C[C@H](CCC[*:1])NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
CC(C)CCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O CC(C)CC[*:1] C[C@H](C[*:1])NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
CC(C)CCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O CC(C)CCC[*:1] C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)[*:1]
CC(C)CCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O CC(C)CCC[C@@H](C)[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[*:1]
CCN(CC)S(=O)(=O)c1cc(-c2c(C)nn3c2NC(=O)CCC3=O)ccc1C CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])-c1c(C)nn2C(=O)CCC(=O)Nc12
C[C@H](O)c1cc(F)ccc1OCc1cc(F)cc(Br)c1 C[C@H](O)[*:1] Fc1cc(Br)cc(c1)COc1ccc(F)cc1[*:1]
Cn1cnnc1CSCc1noc(-c2ccccc2Cl)n1 Cn1cnnc1[*:1] Clc1ccccc1-c1nc(CSC[*:1])no1
Cn1cnnc1CSCc1noc(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cn1cnnc1CSCc1noc(n1)[*:1]
Cn1cnnc1CSCc1noc(-c2ccccc2Cl)n1 Cn1cnnc1C[*:1] Clc1ccccc1-c1nc(CS[*:1])no1
N[C@H]1C(=O)NC(=O)N=C1C(=O)OCC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N[C@H]1C(=O)NC(=O)N=C1C(=O)OCC(=O)NC[*:1]
N[C@H]1C(=O)NC(=O)N=C1C(=O)OCC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] N[C@H]1C(=O)NC(=O)N=C1C(=O)OCC(=O)N[*:1]
CC(C)C[NH+]1CCN([C@H](C[NH3+])c2cc(Cl)cs2)CC1 Clc1csc(c1)[*:1] CC(C)C[NH+]1CCN(CC1)[C@H](C[NH3+])[*:1]
CC(C)C[NH+]1CCN([C@H](C[NH3+])c2cc(Cl)cs2)CC1 CC(C)C[*:1] [NH3+]C[C@H](c1cc(Cl)cs1)N1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCN([C@H](C[NH3+])c2cc(Cl)cs2)CC1 CC(C)[*:1] [NH3+]C[C@H](c1cc(Cl)cs1)N1CC[NH+](CC1)C[*:1]
CCOCC[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 CCO[*:1] FC(F)(F)c1ccc(nc1)N1CCC[NH+](CC1)CC[*:1]
CCOCC[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] CCOCC[NH+]1CCCN(CC1)c1ccc(cn1)[*:1]
CCOCC[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 CCOC[*:1] FC(F)(F)c1ccc(nc1)N1CCC[NH+](CC1)C[*:1]
CCOCC[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 CCOCC[*:1] FC(F)(F)c1ccc(nc1)N1CCC[NH+](CC1)[*:1]
NC(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)s1 c1cnn(c1)C[*:1] NC(=O)c1ccc(s1)C(=O)N1CCC[C@H]1[*:1]
NC(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)s1 NC(=O)[*:1] O=C(c1ccc(s1)[*:1])N1CCC[C@@H]1Cn1cccn1
NC(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2cccn2)s1 c1cnn(c1)[*:1] NC(=O)c1ccc(s1)C(=O)N1CCC[C@@H]1C[*:1]
O=C1O[C@H](C(=O)NCc2ccccn2)Cc2ccccc21 c1ccc(nc1)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)NC[*:1]
O=C1O[C@H](C(=O)NCc2ccccn2)Cc2ccccc21 c1ccc(C[*:1])nc1 O=C1O[C@@H](Cc2ccccc21)C(=O)N[*:1]
CCC[C@H]([NH2+]C)[C@@H]1CN(CC)CCO1 CCC[*:1] CCN1CCO[C@@H](C1)[C@@H]([NH2+]C)[*:1]
O=C1CCCC[C@@H]1[C@H]1CCCCCN1C(=O)c1cc(F)ccc1O Oc1ccc(F)cc1[*:1] O=C1CCCC[C@@H]1[C@H]1CCCCCN1C(=O)[*:1]
O=C1CCCC[C@@H]1[C@H]1CCCCCN1C(=O)c1cc(F)ccc1O O=C1CCCC[C@H]1[*:1] O=C(c1cc(F)ccc1O)N1CCCCC[C@@H]1[*:1]
CCCN(CCO)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c12 OCC[*:1] CCCN(c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c12)[*:1]
CCCN(CCO)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c12 CCC[*:1] Cc1sc2nc(C[NH+]3CCCC3)nc(c2c1C)N(CCO)[*:1]
CCCN(CCO)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c12 CCCN(CCO)[*:1] Cc1sc2nc(C[NH+]3CCCC3)nc(c2c1C)[*:1]
C[C@H](CCN1CCOCC1)NC(=O)c1cccc(F)c1 C1CN(CCO1)[*:1] C[C@H](CC[*:1])NC(=O)c1cccc(F)c1
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)N1CCC(NC(C)=O)CC1 CC(=O)N[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)N1CCC(CC1)[*:1]
CCc1[nH+]ccn1CC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] CCc1[nH+]ccn1CC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC[C@H]1CCc2c(sc(=O)n2CN(C)CCOc2ccccc2)C1 c1ccc(cc1)OC[*:1] CC[C@H]1CCc2c(C1)sc(=O)n2CN(C)C[*:1]
CC[C@H]1CCc2c(sc(=O)n2CN(C)CCOc2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@H]1CCc2c(C1)sc(=O)n2CN(C)CCO[*:1]
CC[C@H]1CCc2c(sc(=O)n2CN(C)CCOc2ccccc2)C1 c1ccc(cc1)O[*:1] CC[C@H]1CCc2c(C1)sc(=O)n2CN(C)CC[*:1]
Cn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nc2ccccc2c1=O O=C([O-])[*:1] Cn1c(nc2ccccc2c1=O)SCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccccc1CN1CCO[C@@H](c2ccccc2C)C1 Cc1ccccc1[*:1] CC(=O)Nc1ccccc1CN1CCO[C@@H](C1)[*:1]
CC(=O)Nc1ccccc1CN1CCO[C@@H](c2ccccc2C)C1 CC(=O)N[*:1] Cc1ccccc1[C@H]1CN(CCO1)Cc1ccccc1[*:1]
Cc1ccc(NC(=O)C[C@H]2Sc3nnc(C)n3NC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1nnc2S[C@H](CC(=O)N[*:1])C(=O)Nn12
CC(C)CCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 CC(C)[*:1] CN(CC(=O)NCC[*:1])S(=O)(=O)c1ccc2ccccc2c1
CC(C)CCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 CC(C)C[*:1] CN(CC(=O)NC[*:1])S(=O)(=O)c1ccc2ccccc2c1
CC(C)CCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 CC(C)CCNC(=O)[*:1] CN(C[*:1])S(=O)(=O)c1ccc2ccccc2c1
CC(C)CCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 CC(C)CC[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc2ccccc2c1
Cc1ccc(CN(Cc2ccc(-n3cncn3)cc2)Cc2ccco2)s1 Cc1ccc(C[*:1])s1 c1coc(c1)CN(Cc1ccc(cc1)-n1cncn1)[*:1]
Cc1ccc(CN(Cc2ccc(-n3cncn3)cc2)Cc2ccco2)s1 c1ncn(n1)[*:1] Cc1ccc(CN(Cc2ccc(cc2)[*:1])Cc2ccco2)s1
Cc1ccc(CN(Cc2ccc(-n3cncn3)cc2)Cc2ccco2)s1 c1coc(c1)C[*:1] Cc1ccc(CN(Cc2ccc(cc2)-n2cncn2)[*:1])s1
Cc1ccc(CN(Cc2ccc(-n3cncn3)cc2)Cc2ccco2)s1 c1coc(c1)[*:1] Cc1ccc(CN(Cc2ccc(cc2)-n2cncn2)C[*:1])s1
Cc1ccc(CN(Cc2ccc(-n3cncn3)cc2)Cc2ccco2)s1 Cc1ccc(s1)[*:1] c1coc(c1)CN(Cc1ccc(cc1)-n1cncn1)C[*:1]
CC(C)(C)c1cc(=O)[nH]c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)ccc12 c1ccc(cc1)[*:1] CC(C)(C)c1cc(=O)[nH]c2cc(ccc12)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)(C)c1cc(=O)[nH]c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)ccc12 CC(C)(C)[*:1] O=C(Nc1ccc2c(cc(=O)[nH]c2c1)[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
Cn1ncc(C(=O)Nc2ccnc(Oc3ccccc3)c2)c1C(F)F FC(F)[*:1] Cn1ncc(C(=O)Nc2ccnc(c2)Oc2ccccc2)c1[*:1]
Cn1ncc(C(=O)Nc2ccnc(Oc3ccccc3)c2)c1C(F)F c1ccc(cc1)[*:1] Cn1ncc(C(=O)Nc2ccnc(c2)O[*:1])c1C(F)F
Cn1ncc(C(=O)Nc2ccnc(Oc3ccccc3)c2)c1C(F)F c1ccc(cc1)O[*:1] Cn1ncc(C(=O)Nc2ccnc(c2)[*:1])c1C(F)F
Cc1ccc(S(=O)(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 c1cn(cn1)C[*:1] Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 c1cn(cn1)[*:1] Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C[*:1]
Cc1ccc(S(=O)(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NCc1ccc(cc1)Cn1ccnc1)[*:1]
CCC[NH+](CCC)CC(=O)NC CCC[*:1] CCC[NH+](CC(=O)NC)[*:1]
CCC[NH+](CCC)CC(=O)NC CNC(=O)[*:1] CCC[NH+](CCC)C[*:1]
CCCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O FC(F)O[*:1] CCCCNC(=O)N[C@H]1CCCN(C1=O)c1ccc(cc1)[*:1]
CCCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O CCC[*:1] O=C(NC[*:1])N[C@H]1CCCN(C1=O)c1ccc(cc1)OC(F)F
CCCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O CCCCNC(=O)N[*:1] O=C1[C@H](CCCN1c1ccc(cc1)OC(F)F)[*:1]
CCCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O CCCC[*:1] O=C(N[C@H]1CCCN(C1=O)c1ccc(cc1)OC(F)F)N[*:1]
CCCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O FC(F)[*:1] CCCCNC(=O)N[C@H]1CCCN(C1=O)c1ccc(cc1)O[*:1]
COCc1ccc(SCC(=O)NC2CC2)cc1 C1CC1[*:1] COCc1ccc(cc1)SCC(=O)N[*:1]
COCc1ccc(SCC(=O)NC2CC2)cc1 COC[*:1] O=C(CSc1ccc(cc1)[*:1])NC1CC1
Cc1nc2ccc(NC(=O)NNc3nc(-c4ccncc4)no3)cc2o1 c1cc(ccn1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)NNc1nc(no1)[*:1]
O=C(Nc1cnn(CCc2ccccc2)c1)c1ccccc1I c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)CC[*:1])c1ccccc1I
O=C(Nc1cnn(CCc2ccccc2)c1)c1ccccc1I c1ccc(cc1)C[*:1] O=C(Nc1cnn(c1)C[*:1])c1ccccc1I
O=C(Nc1cnn(CCc2ccccc2)c1)c1ccccc1I Ic1ccccc1[*:1] O=C(Nc1cnn(c1)CCc1ccccc1)[*:1]
CNC(=O)C[C@H](C[NH3+])N1CCOC(C)(C)C1 CNC(=O)C[*:1] CC1(C)CN(CCO1)[C@@H](C[NH3+])[*:1]
CNC(=O)C[C@H](C[NH3+])N1CCOC(C)(C)C1 CNC(=O)[*:1] CC1(C)CN(CCO1)[C@@H](C[NH3+])C[*:1]
CCO[C@H](CCNC(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CCCC1 CCO[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)NCC[C@H](C1CCCC1)[*:1]
CCO[C@H](CCNC(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CCCC1 C1CCC(C1)[*:1] CCO[C@H](CCNC(=O)c1cc2C(=O)CCCc2[nH]c1=O)[*:1]
CC(C)CCNC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 CC(C)C[*:1] O=C(NC[*:1])Nc1ccc(cc1)-c1nnnn1C1CC1
CC(C)CCNC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 CC(C)CC[*:1] O=C(Nc1ccc(cc1)-c1nnnn1C1CC1)N[*:1]
CC(C)CCNC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 C1CC1[*:1] CC(C)CCNC(=O)Nc1ccc(cc1)-c1nnnn1[*:1]
CC(C)CCNC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 CC(C)[*:1] O=C(NCC[*:1])Nc1ccc(cc1)-c1nnnn1C1CC1
COc1cc(C)c([C@H](C)NC(=O)Cn2cnnn2)cc1OC c1nnnn1C[*:1] COc1cc(C)c(cc1OC)[C@H](C)NC(=O)[*:1]
COc1cc(C)c([C@H](C)NC(=O)Cn2cnnn2)cc1OC c1nnnn1[*:1] COc1cc(C)c(cc1OC)[C@H](C)NC(=O)C[*:1]
CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 c1nnc(s1)[*:1] CCCOc1ccc(cc1)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 CCC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(cc2)O[*:1])N1c1nncs1
CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 CCCOc1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](N1c1nncs1)[*:1]
CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 CCCO[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(cc2)[*:1])N1c1nncs1
CC(=C/c1ccccc1)/C=N/n1c(-c2cccnc2)n[nH]c1=S c1cncc(c1)[*:1] CC(=C/c1ccccc1)/C=N/n1c(n[nH]c1=S)[*:1]
CC(=C/c1ccccc1)/C=N/n1c(-c2cccnc2)n[nH]c1=S c1ccc(cc1)[*:1] CC(=C[*:1])/C=N/n1c(n[nH]c1=S)-c1cccnc1
Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H](C)C[C@@H]2C)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N[C@H]1CC[C@@H](C)C[C@@H]1C)[*:1]
C[C@H]1c2ccsc2CCN1c1nc(-c2cccnc2)nc2ccccc12 c1cncc(c1)[*:1] C[C@H]1c2ccsc2CCN1c1nc(nc2ccccc12)[*:1]
COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)[C@H](C)[NH2+][C@@H](C)[*:1]
COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c1 COC(=O)[*:1] Cc1ccc(cc1)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc(ccc1C)[*:1]
C=CCCC(=O)Nc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] C=CCCC(=O)Nc1ncc(cc1Cl)[*:1]
C=CCCC(=O)Nc1ncc(C(F)(F)F)cc1Cl C=CCC[*:1] O=C(Nc1ncc(cc1Cl)C(F)(F)F)[*:1]
C=CCCC(=O)Nc1ncc(C(F)(F)F)cc1Cl C=CC[*:1] O=C(C[*:1])Nc1ncc(cc1Cl)C(F)(F)F
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 O=C1CCCCCN1C[*:1] O=C(CCc1ccccc1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 c1ccc(cc1)[*:1] O=C(CC[*:1])[C@@H]1CCCN(C1)C(=O)CN1CCCCCC1=O
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 O=C1CCCCCN1[*:1] O=C(CCc1ccccc1)[C@@H]1CCCN(C1)C(=O)C[*:1]
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 c1ccc(cc1)C[*:1] O=C(C[*:1])[C@@H]1CCCN(C1)C(=O)CN1CCCCCC1=O
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 c1ccc(cc1)CC[*:1] O=C1CCCCCN1CC(=O)N1CCC[C@H](C1)C(=O)[*:1]
FC(F)(F)c1ccc(Br)cc1N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] FC(F)(F)c1ccc(Br)cc1N1CCN(CC1)C[*:1]
FC(F)(F)c1ccc(Br)cc1N1CCN(Cc2ccccc2)CC1 FC(F)(F)[*:1] Brc1ccc(c(c1)N1CCN(CC1)Cc1ccccc1)[*:1]
FC(F)(F)c1ccc(Br)cc1N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] FC(F)(F)c1ccc(Br)cc1N1CCN(CC1)[*:1]
CCN(CC)C(=O)CN1C(=O)[C@]2(NC(=O)c3ccccc3N2)c2ccccc21 CCN(CC)C(=O)C[*:1] O=C1N[C@@]2(Nc3ccccc31)C(=O)N(c1ccccc12)[*:1]
CCN(CC)C(=O)CN1C(=O)[C@]2(NC(=O)c3ccccc3N2)c2ccccc21 CCN(CC)C(=O)[*:1] O=C1N[C@@]2(Nc3ccccc31)C(=O)N(C[*:1])c1ccccc12
CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C)CC1 CC[C@H](C)[*:1] CC1CCN(CC1)C(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)[*:1]
COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N[*:1]
O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 O=c1ccc(n[nH]1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1Cl)[*:1]
O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 Clc1cccc(c1Cl)[*:1] O=C(c1ccc(=O)[nH]n1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc([C@@H](CC(=O)N2CCN(c3ccccc3)CC2)n2cccc2)c1 Cc1cccc(c1)[*:1] O=C(C[C@@H](n1cccc1)[*:1])N1CCN(CC1)c1ccccc1
Cc1cccc([C@@H](CC(=O)N2CCN(c3ccccc3)CC2)n2cccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)[C@@H](CC(=O)N1CCN(CC1)[*:1])n1cccc1
Cc1cccc([C@@H](CC(=O)N2CCN(c3ccccc3)CC2)n2cccc2)c1 c1ccn(c1)[*:1] Cc1cccc(c1)[C@@H](CC(=O)N1CCN(CC1)c1ccccc1)[*:1]
CC(C)CC[C@@H](C)NC(=O)NCCc1ccccn1 CC(C)CC[*:1] C[C@@H](NC(=O)NCCc1ccccn1)[*:1]
CC(C)CC[C@@H](C)NC(=O)NCCc1ccccn1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)NCCc1ccccn1
CC(C)CC[C@@H](C)NC(=O)NCCc1ccccn1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)NCCc1ccccn1
CC(C)CC[C@@H](C)NC(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] CC(C)CC[C@@H](C)NC(=O)NCC[*:1]
COc1ccccc1O[C@H](C)CNC(=O)N(C)CC(C)C CC(C)C[*:1] COc1ccccc1O[C@H](C)CNC(=O)N(C)[*:1]
COc1ccccc1O[C@H](C)CNC(=O)N(C)CC(C)C CC(C)[*:1] COc1ccccc1O[C@H](C)CNC(=O)N(C)C[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)c1ccc(nn1)-c1cccs1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2ccccc2C1 N#Cc1ccc(cc1)O[*:1] Cc1cc(ccc1NC(=O)N1CCc2ccccc2C1)[*:1]
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCc2ccccc2C1 N#Cc1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)N1CCc2ccccc2C1)O[*:1]
CCc1nn(C)c2c1nc(CCl)n2C[C@@H]1CN(C)CCO1 CN1CCO[C@@H](C1)[*:1] CCc1nn(C)c2c1nc(CCl)n2C[*:1]
Cn1ncc(C[NH+]2CCC(OCc3ccccc3F)CC2)c1C(F)(F)F Fc1ccccc1[*:1] Cn1ncc(C[NH+]2CCC(CC2)OC[*:1])c1C(F)(F)F
Cn1ncc(C[NH+]2CCC(OCc3ccccc3F)CC2)c1C(F)(F)F Fc1ccccc1C[*:1] Cn1ncc(C[NH+]2CCC(CC2)O[*:1])c1C(F)(F)F
Cn1ncc(C[NH+]2CCC(OCc3ccccc3F)CC2)c1C(F)(F)F FC(F)(F)[*:1] Cn1ncc(C[NH+]2CCC(CC2)OCc2ccccc2F)c1[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CCCc2ccc(F)c(F)c2)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)C(=O)CCCc1ccc(F)c(F)c1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CCCc2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)CCC[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CCCc2ccc(F)c(F)c2)C1 COC(=O)C(C)(C)[*:1] O=C(CCCc1ccc(F)c(F)c1)N1CCC[C@@H](C1)[*:1]
CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] CCOc1cc(C#N)ccc1OCC(=O)N[*:1]
CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 CCO[*:1] N#Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(c1)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)N(C)[C@H](C)CC CC[C@@H](C)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N(C)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)NC1CC1 CC(C)(C)[*:1] O=C([O-])CN(C(=O)NC1CC1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)NC1CC1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)NC1CC1
CC(C)(C)N(CC(=O)[O-])C(=O)NC1CC1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)NC1CC1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)NC1CC1 C1CC1[*:1] CC(C)(C)N(CC(=O)[O-])C(=O)N[*:1]
COC(=O)c1ccc(NCC(=O)Nc2ccc(C)cc2)c(C)c1 COC(=O)[*:1] Cc1ccc(cc1)NC(=O)CNc1ccc(cc1C)[*:1]
COC(=O)c1ccc(NCC(=O)Nc2ccc(C)cc2)c(C)c1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(NCC(=O)N[*:1])c(C)c1
Cc1ccc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] Cc1ccc2NC(=O)[C@]3(c2c1)[C@@H]1C(=O)N(C(=O)[C@@H]1[C@H]1CCCN13)[*:1]
CCCNC(=O)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 CCCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)c1ccccc1[N+](=O)[O-]
CCCNC(=O)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 O=[N+]([O-])c1ccccc1[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)[*:1]
CCCNC(=O)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 O=[N+]([O-])[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)c1ccccc1[*:1]
CCCNC(=O)c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 CCC[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)C1CCN(CC1)c1ccccc1[N+](=O)[O-]
CN(C)c1nc2cc(NC(=O)C[C@@H](O)c3ccccc3)ccc2o1 CN(C)[*:1] O=C(C[C@@H](O)c1ccccc1)Nc1ccc2oc(nc2c1)[*:1]
CN(C)c1nc2cc(NC(=O)C[C@@H](O)c3ccccc3)ccc2o1 O[C@@H](c1ccccc1)[*:1] CN(C)c1nc2cc(ccc2o1)NC(=O)C[*:1]
CN(C)c1nc2cc(NC(=O)C[C@@H](O)c3ccccc3)ccc2o1 c1ccc(cc1)[*:1] CN(C)c1nc2cc(ccc2o1)NC(=O)C[C@@H](O)[*:1]
COc1ccccc1NCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C COc1ccccc1[*:1] C[C@@H]1C[C@H](CN1C(=O)CN[*:1])c1ccc(F)cc1
COc1ccccc1NCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C Fc1ccc(cc1)[*:1] COc1ccccc1NCC(=O)N1C[C@H](C[C@H]1C)[*:1]
O=C(Cn1ccccc1=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Cn1ccccc1=O)Nc1ccccc1C(=O)N[*:1]
O=C(Cn1ccccc1=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 O=c1ccccn1[*:1] O=C(C[*:1])Nc1ccccc1C(=O)Nc1ccc2OCOc2c1
O=C(Cn1ccccc1=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 O=c1ccccn1C[*:1] O=C(Nc1ccc2OCOc2c1)c1ccccc1NC(=O)[*:1]
Cc1ccc(N2C[C@H](c3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)no3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](CN1[*:1])c1nc(no1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
Cc1ccc(N2C[C@H](c3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)no3)CC2=O)cc1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)c1nc(no1)-c1ccc(cc1)[*:1]
C[C@@H]1CN(C(=O)c2ccco2)c2ccccc2NC1=O c1coc(c1)[*:1] C[C@@H]1CN(C(=O)[*:1])c2ccccc2NC1=O
CCCOC(=O)c1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] CCCOC(=O)c1ccc(cc1)[*:1]
CCCOC(=O)c1ccc(-n2cccc2)cc1 CCC[*:1] O=C(O[*:1])c1ccc(cc1)-n1cccc1
O=C(Nc1cccc(Cl)c1Cl)C1=C(c2ccccc2)SCCO1 c1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1Cl)C1OCCSC=1[*:1]
CC(=O)Oc1cc2c(C(=O)NCc3ccccc3)c(C)oc2c2ccccc12 CC(=O)O[*:1] Cc1oc2c(cc(c3ccccc32)[*:1])c1C(=O)NCc1ccccc1
CC(=O)Oc1cc2c(C(=O)NCc3ccccc3)c(C)oc2c2ccccc12 c1ccc(cc1)C[*:1] CC(=O)Oc1cc2c(C(=O)N[*:1])c(C)oc2c2ccccc12
CC(=O)Oc1cc2c(C(=O)NCc3ccccc3)c(C)oc2c2ccccc12 c1ccc(cc1)[*:1] CC(=O)Oc1cc2c(C(=O)NC[*:1])c(C)oc2c2ccccc12
O=C(Cn1cccc(C(F)(F)F)c1=O)Oc1ccccc1 FC(F)(F)[*:1] O=C(Cn1cccc(c1=O)[*:1])Oc1ccccc1
O=C(Cn1cccc(C(F)(F)F)c1=O)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cccc(c1=O)C(F)(F)F)O[*:1]
CC[C@@H](C)NC(=O)CCCN1C(=O)c2cccnc2Oc2ccccc21 CC[C@@H](C)[*:1] O=C(CCCN1C(=O)c2cccnc2Oc2ccccc21)N[*:1]
CC[C@@H](C)NC(=O)CCCN1C(=O)c2cccnc2Oc2ccccc21 CC[C@@H](C)NC(=O)[*:1] O=C1c2cccnc2Oc2ccccc2N1CCC[*:1]
CC[C@@H](C)NC(=O)CCCN1C(=O)c2cccnc2Oc2ccccc21 CC[C@@H](C)NC(=O)C[*:1] O=C1c2cccnc2Oc2ccccc2N1CC[*:1]
COc1ccc(CN(C)C(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1F Fc1ccc(cc1)[*:1] COc1ccc(cc1F)CN(C)C(=O)[C@H](NC(=O)[*:1])C(C)C
COc1ccc(CN(C)C(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1F COc1ccc(cc1F)[*:1] CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N(C)C[*:1]
COc1ccc(CN(C)C(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)CN(C)C(=O)[C@H](NC(=O)c1ccc(F)cc1)[*:1]
Cc1cncc(NC(=O)c2ccn(-c3cccc(F)c3)n2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])c1ccn(n1)-c1cccc(F)c1
Cc1cncc(NC(=O)c2ccn(-c3cccc(F)c3)n2)c1 Fc1cccc(c1)[*:1] Cc1cncc(c1)NC(=O)c1ccn(n1)[*:1]
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCC[NH+]1CCC(C)CC1 CCO[*:1] CC1CC[NH+](CCNC(=O)Nc2cc(ccc2[*:1])C(=O)N(C)C)CC1
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCC[NH+]1CCC(C)CC1 CN(C)C(=O)[*:1] CCOc1ccc(cc1NC(=O)NCC[NH+]1CCC(C)CC1)[*:1]
C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(C)cc1 C=C(C)[*:1] CCN(C[*:1])C(=O)[C@H](C)Nc1ccc(C)cc1
C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(C)cc1 C=C(C)C[*:1] CCN(C(=O)[C@H](C)Nc1ccc(C)cc1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc(-c3ccccn3)cs2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(cs1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc(-c3ccccn3)cs2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccccn1)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Br Fc1ccc(cc1)[*:1] Cc1cc(ccc1Br)NC(=O)CC[C@H]1NC(=O)N(C1=O)[*:1]
Cc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(CC[C@H]1NC(=O)N(C1=O)c1ccc(F)cc1)N[*:1]
CCC[NH2+][C@@H]1CCC[C@@H](Oc2cccc3cccnc23)C1 CCC[*:1] c1cnc2c(cccc2c1)O[C@@H]1CCC[C@H](C1)[NH2+][*:1]
Cc1ccnc(-c2ccc(Nc3nc(C4CC4)ns3)cc2)n1 C1CC1[*:1] Cc1ccnc(n1)-c1ccc(cc1)Nc1nc(ns1)[*:1]
Cc1ccnc(-c2ccc(Nc3nc(C4CC4)ns3)cc2)n1 Cc1ccnc(n1)[*:1] c1cc(ccc1Nc1nc(ns1)C1CC1)[*:1]
CN(CC1CCCCC1)C(=O)C[NH+](CCO)C1CC1 C1CC1[*:1] CN(CC1CCCCC1)C(=O)C[NH+](CCO)[*:1]
CN(CC1CCCCC1)C(=O)C[NH+](CCO)C1CC1 C1CCC(CC1)[*:1] CN(C[*:1])C(=O)C[NH+](CCO)C1CC1
CN(CC1CCCCC1)C(=O)C[NH+](CCO)C1CC1 OCC[*:1] CN(CC1CCCCC1)C(=O)C[NH+](C1CC1)[*:1]
C[C@H](OC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)c1nccs1 C[C@H](c1nccs1)[*:1] C[C@@H]1C[C@H]1C(=O)Nc1cccc(c1)C(=O)O[*:1]
C[C@H](OC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)c1nccs1 C[C@@H]1C[C@H]1[*:1] C[C@H](OC(=O)c1cccc(c1)NC(=O)[*:1])c1nccs1
C[C@H](OC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)c1nccs1 C[C@@H]1C[C@H]1C(=O)N[*:1] C[C@H](OC(=O)c1cccc(c1)[*:1])c1nccs1
C[C@H](OC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)c1cccc(c1)NC(=O)[C@@H]1C[C@H]1C)[*:1]
CCOC(=O)N1CCC([NH+]2CCOc3c(cc(-c4ccc(C)s4)cc3OC)C2)CC1 Cc1ccc(s1)[*:1] CCOC(=O)N1CCC(CC1)[NH+]1CCOc2c(cc(cc2OC)[*:1])C1
Cc1ccccc1N1C(=O)C(Cl)=C(N2CCCCC2)C1=O C1CCN(CC1)[*:1] Cc1ccccc1N1C(=O)C(Cl)=C(C1=O)[*:1]
Cc1ccccc1N1C(=O)C(Cl)=C(N2CCCCC2)C1=O Cc1ccccc1[*:1] O=C1C(Cl)=C(C(=O)N1[*:1])N1CCCCC1
CC(=O)C1=C([O-])C(=O)N(CCCO)[C@@H]1c1cccc([N+](=O)[O-])c1 CC(=O)[*:1] O=C1C([O-])=C([C@@H](c2cccc(c2)[N+](=O)[O-])N1CCCO)[*:1]
CC(=O)C1=C([O-])C(=O)N(CCCO)[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)C1=C([O-])C(=O)N(CCCO)[C@@H]1c1cccc(c1)[*:1]
CC(=O)C1=C([O-])C(=O)N(CCCO)[C@@H]1c1cccc([N+](=O)[O-])c1 OCCC[*:1] CC(=O)C1=C([O-])C(=O)N([C@@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
CC(=O)C1=C([O-])C(=O)N(CCCO)[C@@H]1c1cccc([N+](=O)[O-])c1 OCC[*:1] CC(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccc(c1)[N+](=O)[O-]
CC1(C)CCN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC1(C)CCN(C1)C(=O)c1oc2ccccc2c1C[*:1]
CC1(C)CCN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)C1 CS(=O)(=O)C[*:1] CC1(C)CCN(C1)C(=O)c1oc2ccccc2c1[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@@]1(O)C1(C[NH3+])CCCCCC1 CC(C)[*:1] C[C@H]1CC[C@@H]([C@@](O)(C1)C1(C[NH3+])CCCCCC1)[*:1]
COc1ccccc1C(=O)N1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 Fc1ccc(cc1)[*:1] COc1ccccc1C(=O)N1CCN(CC1)c1ncnc2cc(sc12)[*:1]
COc1ccccc1C(=O)N1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 COc1ccccc1[*:1] O=C(N1CCN(CC1)c1ncnc2cc(sc12)-c1ccc(F)cc1)[*:1]
COc1cc([C@@H](C)NC(=O)c2ccccn2)ccc1OC1CCCC1 C1CCC(C1)[*:1] COc1cc(ccc1O[*:1])[C@@H](C)NC(=O)c1ccccn1
COc1cc([C@@H](C)NC(=O)c2ccccn2)ccc1OC1CCCC1 c1ccc(nc1)[*:1] COc1cc(ccc1OC1CCCC1)[C@@H](C)NC(=O)[*:1]
COc1cc([C@@H](C)NC(=O)c2ccccn2)ccc1OC1CCCC1 C1CCC(C1)O[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)c1ccccn1
CCOCCCN1CCC(=O)NC1=O CCOC[*:1] O=C1CCN(CC[*:1])C(=O)N1
CCOCCCN1CCC(=O)NC1=O CCO[*:1] O=C1CCN(CCC[*:1])C(=O)N1
CCCNc1cc(C2CC2)nc(-c2ccc(F)cn2)n1 CCC[*:1] Fc1ccc(nc1)-c1nc(cc(n1)C1CC1)N[*:1]
CCCNc1cc(C2CC2)nc(-c2ccc(F)cn2)n1 C1CC1[*:1] CCCNc1cc(nc(n1)-c1ccc(F)cn1)[*:1]
CCCNc1cc(C2CC2)nc(-c2ccc(F)cn2)n1 CCCN[*:1] Fc1ccc(nc1)-c1nc(cc(n1)[*:1])C1CC1
C[C@H]1CCc2c(sc3ncnc(OCC(=O)N(C)Cc4ccc(F)cc4)c23)C1 Fc1ccc(cc1)[*:1] C[C@H]1CCc2c(C1)sc1ncnc(OCC(=O)N(C)C[*:1])c21
C[C@H]1CCc2c(sc3ncnc(OCC(=O)N(C)Cc4ccc(F)cc4)c23)C1 Fc1ccc(cc1)C[*:1] C[C@H]1CCc2c(C1)sc1ncnc(OCC(=O)N(C)[*:1])c21
CCn1c(=O)c(N2CCC(C(=O)N3CCOCC3)CC2)nc2cccnc21 O=C(N1CCOCC1)[*:1] CCn1c(=O)c(nc2cccnc21)N1CCC(CC1)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] C[C@H]1CCCC[C@H]1NC(=O)c1cc(ccc1F)[*:1]
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(F)c2)cc1 Cc1ccc(cc1)[*:1] N#C/C(=C\c1ccc(F)c(F)c1)C(=O)N[*:1]
COc1ccc(CCCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F FC(F)(F)[*:1] COc1ccc(cc1F)CCCC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
C[C@]1(Cn2c(CCCl)nc3cc(Cl)c(Cl)cc32)CCCO1 ClCC[*:1] C[C@@]1(CCCO1)Cn1c(nc2cc(Cl)c(Cl)cc21)[*:1]
CNS(=O)(=O)c1cc(NC(=O)Cc2cccc(F)c2F)ccc1C Fc1cccc(c1F)[*:1] CNS(=O)(=O)c1cc(ccc1C)NC(=O)C[*:1]
CNS(=O)(=O)c1cc(NC(=O)Cc2cccc(F)c2F)ccc1C CNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)Cc1cccc(F)c1F
C[C@@H](O)C1CCN(C(=O)Cn2c(C3CCCCC3)nc3ccccc32)CC1 C1CCC(CC1)[*:1] C[C@@H](O)C1CCN(CC1)C(=O)Cn1c(nc2ccccc21)[*:1]
O=C1N=C2NC3=C(C(=O)c4ccccc43)[C@H](c3ccnc4ccccc34)[C@@H]2C(=O)N1 c1ccc2c(ccnc2c1)[*:1] O=C1N=C2NC3=C(C(=O)c4ccccc43)[C@H]([C@@H]2C(=O)N1)[*:1]
O=C(CCc1nc(-c2ncccn2)no1)OCC12CC3CC(CC(C3)C1)C2 c1cnc(nc1)[*:1] O=C(CCc1nc(no1)[*:1])OCC12CC3CC(CC(C3)C1)C2
CC(C)(C)c1ccccc1NC(=O)CS(=O)(=O)CC(F)(F)F CC(C)(C)[*:1] O=C(CS(=O)(=O)CC(F)(F)F)Nc1ccccc1[*:1]
CC(C)(C)c1ccccc1NC(=O)CS(=O)(=O)CC(F)(F)F FC(F)(F)[*:1] CC(C)(C)c1ccccc1NC(=O)CS(=O)(=O)C[*:1]
CC(C)(C)c1ccccc1NC(=O)CS(=O)(=O)CC(F)(F)F FC(F)(F)C[*:1] CC(C)(C)c1ccccc1NC(=O)CS(=O)(=O)[*:1]
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc(Br)cc1 O=C([O-])C[*:1] C/C(=N\N=C1/NC(=O)[C@@H](S1)[*:1])c1ccc(Br)cc1
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc(Br)cc1 O=C([O-])[*:1] C/C(=N\N=C1/NC(=O)[C@@H](C[*:1])S1)c1ccc(Br)cc1
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=N/N=C1\NC(=O)[C@@H](CC(=O)[O-])S1)[*:1]
O=C(NNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(NNC(=O)[*:1])c1cc(nn1-c1ccccc1)C1CC1
O=C(NNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(NNC(=O)c1cc(nn1[*:1])C1CC1)c1ccco1
O=C(NNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccco1 C1CC1[*:1] O=C(NNC(=O)c1cc(nn1-c1ccccc1)[*:1])c1ccco1
Cc1cccc([C@@H]2CCCN2C(=O)C2CCN(c3cnccn3)CC2)c1 Cc1cccc(c1)[*:1] O=C(C1CCN(CC1)c1cnccn1)N1CCC[C@H]1[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)C2CCN(c3cnccn3)CC2)c1 c1cnc(cn1)[*:1] Cc1cccc(c1)[C@@H]1CCCN1C(=O)C1CCN(CC1)[*:1]
Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC[*:1]
Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1cc(Br)cc(C)c1NC(=O)C(=O)NC[*:1]
CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccoc2)c1 c1cc(co1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)COC(=O)[*:1]
CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccoc2)c1 CN(C)S(=O)(=O)[*:1] O=C(OCc1cccc(c1)[*:1])c1ccoc1
COC(=O)[C@H](C)NC(=O)CNC(=O)c1cccc(C)c1 COC(=O)[*:1] Cc1cccc(c1)C(=O)NCC(=O)N[C@@H](C)[*:1]
COC(=O)[C@H](C)NC(=O)CNC(=O)c1cccc(C)c1 COC(=O)[C@H](C)[*:1] Cc1cccc(c1)C(=O)NCC(=O)N[*:1]
C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)[*:1]
C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)c1ccsc1 CC(C)(C)C[*:1] C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)[*:1])c1ccsc1
C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)c1ccsc1 C[C@@H](c1ccsc1)[*:1] CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC[*:1]
C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)c1ccsc1 CC(C)(C)[*:1] C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)C[*:1])c1ccsc1
CCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C CCOC(=O)C[*:1] Cc1c(ccc2c(cc(=O)oc12)-c1ccccc1)O[*:1]
CCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C CCOC(=O)[*:1] Cc1c(ccc2c(cc(=O)oc12)-c1ccccc1)OC[*:1]
CCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C CCOC(=O)CO[*:1] Cc1c(ccc2c(cc(=O)oc12)-c1ccccc1)[*:1]
CCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C c1ccc(cc1)[*:1] CCOC(=O)COc1ccc2c(cc(=O)oc2c1C)[*:1]
CN(C)C(=O)CN(C)C(=O)[C@H]1CSC[NH2+]1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)[C@H]1CSC[NH2+]1
CC[C@H](O)CN1CCN(C(=O)c2c(C)nn3c(C)cc(C)nc23)CC1 CC[C@H](O)[*:1] Cc1cc(C)n2nc(C)c(C(=O)N3CCN(CC3)C[*:1])c2n1
CC[C@H](O)CN1CCN(C(=O)c2c(C)nn3c(C)cc(C)nc23)CC1 CC[C@H](O)C[*:1] Cc1cc(C)n2nc(C)c(C(=O)N3CCN(CC3)[*:1])c2n1
Cc1cc(C)c(C(=O)/C=C(\NCc2ccccc2)C(F)(F)F)c(=O)[nH]1 c1ccc(cc1)CN[*:1] Cc1cc(C)c(C(=O)C=C(C(F)(F)F)[*:1])c(=O)[nH]1
Cc1cc(C)c(C(=O)/C=C(\NCc2ccccc2)C(F)(F)F)c(=O)[nH]1 FC(F)(F)[*:1] Cc1cc(C)c(C(=O)/C=C(\NCc2ccccc2)[*:1])c(=O)[nH]1
Cc1cc(C)c(C(=O)/C=C(\NCc2ccccc2)C(F)(F)F)c(=O)[nH]1 c1ccc(cc1)C[*:1] Cc1cc(C)c(C(=O)/C=C(\N[*:1])C(F)(F)F)c(=O)[nH]1
Cc1cc(C)c(C(=O)/C=C(\NCc2ccccc2)C(F)(F)F)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)/C=C(\NC[*:1])C(F)(F)F)c(=O)[nH]1
CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)c1 Fc1cccc(c1)[*:1] CCC(=O)Nc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)c1 CCC(=O)N[*:1] O=C(c1cccc(F)c1)N1CCC[C@@H](C1)c1nc(no1)-c1cccc(c1)[*:1]
O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc(F)cc1 c1nnnn1[*:1] O=S(=O)(Oc1cccc(c1)[*:1])c1ccc(F)cc1
O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(Oc1cccc(c1)-n1cnnn1)[*:1]
CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)NC(=S)N1c1ccc(Cl)cc1 O=C(N1CCOCC1)[*:1] CC1=C([C@H](NC(=S)N1c1ccc(Cl)cc1)c1ccc(F)cc1)[*:1]
CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)NC(=S)N1c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] CC1=C(C(=O)N2CCOCC2)[C@@H](NC(=S)N1c1ccc(Cl)cc1)[*:1]
CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)NC(=S)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC1=C(C(=O)N2CCOCC2)[C@H](NC(=S)N1[*:1])c1ccc(F)cc1
Cc1nc(C(=O)N(C)C)ccc1C(=O)N(CC[NH+](C)C)Cc1cccs1 CN(C)C(=O)[*:1] Cc1nc(ccc1C(=O)N(CC[NH+](C)C)Cc1cccs1)[*:1]
Cc1nc(C(=O)N(C)C)ccc1C(=O)N(CC[NH+](C)C)Cc1cccs1 c1csc(c1)C[*:1] Cc1nc(ccc1C(=O)N(CC[NH+](C)C)[*:1])C(=O)N(C)C
Cc1nc(C(=O)N(C)C)ccc1C(=O)N(CC[NH+](C)C)Cc1cccs1 c1csc(c1)[*:1] Cc1nc(ccc1C(=O)N(CC[NH+](C)C)C[*:1])C(=O)N(C)C
C=CCn1c(C)nnc1SCC(=O)Nc1nncs1 C=CC[*:1] Cc1nnc(SCC(=O)Nc2nncs2)n1[*:1]
C=CCn1c(C)nnc1SCC(=O)Nc1nncs1 c1nnc(s1)[*:1] C=CCn1c(C)nnc1SCC(=O)N[*:1]
COc1ccc(OC)c(CNC(=O)c2cnn(-c3ccccc3)c2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CNC(=O)c1cnn(c1)[*:1]
Cc1cccc(NC(=O)c2ccccc2S(C)(=O)=O)n1 CS(=O)(=O)[*:1] Cc1cccc(n1)NC(=O)c1ccccc1[*:1]
O=C(N1C[C@H]2CCCC[C@@]21c1ccccc1)C1(Br)CCC1 c1ccc(cc1)[*:1] O=C(N1C[C@H]2CCCC[C@@]21[*:1])C1(Br)CCC1
O=C(N1C[C@H]2CCCC[C@@]21c1ccccc1)C1(Br)CCC1 BrC1(CCC1)[*:1] O=C(N1C[C@H]2CCCC[C@@]21c1ccccc1)[*:1]
Cc1cccc(C)c1CN1C(=O)N[C@@](C)(c2cccs2)C1=O c1csc(c1)[*:1] Cc1cccc(C)c1CN1C(=O)N[C@@](C)(C1=O)[*:1]
CCN1C(=O)[C@]2(SCCN2C(=O)c2ccccc2)c2cc(Cl)ccc21 c1ccc(cc1)[*:1] CCN1C(=O)[C@]2(SCCN2C(=O)[*:1])c2cc(Cl)ccc21
C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(Cl)cc1C(N)=O NC(=O)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(Cl)cc1[*:1]
O=Cc1cn[nH]c1-c1ccc(CCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=Cc1cn[nH]c1-c1ccc(cc1)CC[*:1]
O=Cc1cn[nH]c1-c1ccc(CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=Cc1cn[nH]c1-c1ccc(cc1)C[*:1]
O=Cc1cn[nH]c1-c1ccc(CCc2ccccc2)cc1 O=Cc1cn[nH]c1[*:1] c1ccc(cc1)CCc1ccc(cc1)[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)COc1ccc(C#N)c(F)c1 Fc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)COc1ccc(C#N)c(F)c1)[*:1]
COc1ncnc(N)c1CN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 CC(C)[*:1] COc1ncnc(N)c1CN1CCC(CC1)C(=O)c1ccc(cc1)C[*:1]
COc1ncnc(N)c1CN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 CC(C)C[*:1] COc1ncnc(N)c1CN1CCC(CC1)C(=O)c1ccc(cc1)[*:1]
COc1ncnc(N)c1CN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 COc1ncnc(N)c1[*:1] CC(C)Cc1ccc(cc1)C(=O)C1CCN(CC1)C[*:1]
Cc1cccc(C)c1NC(=O)CNc1ccc(NC(=O)CC(C)C)cc1 CC(C)[*:1] Cc1cccc(C)c1NC(=O)CNc1ccc(cc1)NC(=O)C[*:1]
Cc1cccc(C)c1NC(=O)CNc1ccc(NC(=O)CC(C)C)cc1 CC(C)CC(=O)N[*:1] Cc1cccc(C)c1NC(=O)CNc1ccc(cc1)[*:1]
Cc1cccc(C)c1NC(=O)CNc1ccc(NC(=O)CC(C)C)cc1 CC(C)C[*:1] Cc1cccc(C)c1NC(=O)CNc1ccc(cc1)NC(=O)[*:1]
Cc1cccc(C)c1NC(=O)CNc1ccc(NC(=O)CC(C)C)cc1 Cc1cccc(C)c1[*:1] CC(C)CC(=O)Nc1ccc(cc1)NCC(=O)N[*:1]
COc1cccc(NC(=O)CC(=O)NN)c1 NNC(=O)C[*:1] COc1cccc(c1)NC(=O)[*:1]
COc1cccc(NC(=O)CC(=O)NN)c1 NNC(=O)[*:1] COc1cccc(c1)NC(=O)C[*:1]
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)N1CCCc2ccccc21 c1ccc2c(c[nH]c2c1)[*:1] O=C(CSc1nnc(n1C[C@H]1CCCO1)[*:1])N1CCCc2ccccc21
O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@@H](n2cc(Br)cn2)C1 O=C([O-])[*:1] Brc1cnn(c1)[C@@H]1CCC[C@](C1)([NH2+]C1CC1)[*:1]
O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@@H](n2cc(Br)cn2)C1 C1CC1[*:1] O=C([O-])[C@@]1(CCC[C@H](C1)n1cc(Br)cn1)[NH2+][*:1]
O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@@H](n2cc(Br)cn2)C1 Brc1cnn(c1)[*:1] O=C([O-])[C@@]1(CCC[C@@H](C1)[*:1])[NH2+]C1CC1
CC[C@H](C)Sc1nnc(N/N=C(\C)c2cccs2)[nH]1 CC[C@H](C)[*:1] C/C(=N\Nc1nnc([nH]1)S[*:1])c1cccs1
CC[C@H](C)Sc1nnc(N/N=C(\C)c2cccs2)[nH]1 CC[C@H](C)S[*:1] C/C(=N\Nc1nnc([nH]1)[*:1])c1cccs1
CC[C@H](C)Sc1nnc(N/N=C(\C)c2cccs2)[nH]1 c1csc(c1)[*:1] CC[C@H](C)Sc1nnc(NN=C(C)[*:1])[nH]1
CCCC[C@H](CC)[C@@H](O)c1cc(F)c(C)cc1F CCCC[*:1] CC[C@H]([C@@H](O)c1cc(F)c(C)cc1F)[*:1]
CCCC[C@H](CC)[C@@H](O)c1cc(F)c(C)cc1F CCC[*:1] CC[C@@H](C[*:1])[C@@H](O)c1cc(F)c(C)cc1F
CC[C@@H](COC)NC(=O)c1cncc(C(=O)OC)c1 CC[C@@H](COC)[*:1] COC(=O)c1cncc(c1)C(=O)N[*:1]
CC[C@@H](COC)NC(=O)c1cncc(C(=O)OC)c1 COC[*:1] CC[C@@H](NC(=O)c1cncc(c1)C(=O)OC)[*:1]
CC[C@@H](COC)NC(=O)c1cncc(C(=O)OC)c1 COC(=O)[*:1] CC[C@@H](COC)NC(=O)c1cncc(c1)[*:1]
COC(=O)N1CCC(NC(=O)C2(c3ccc(F)cc3F)CCCC2)CC1 Fc1ccc(c(F)c1)[*:1] COC(=O)N1CCC(CC1)NC(=O)C1(CCCC1)[*:1]
O=c1[nH]c(=O)n(Cc2noc(-c3ccoc3)n2)cc1Cl c1cc(co1)[*:1] O=c1[nH]c(=O)n(cc1Cl)Cc1noc(n1)[*:1]
Cc1nc(C(=O)NCc2ccc(C(N)=O)o2)nn1-c1ccccc1C(C)C CC(C)c1ccccc1[*:1] Cc1nc(nn1[*:1])C(=O)NCc1ccc(o1)C(N)=O
Cc1nc(C(=O)NCc2ccc(C(N)=O)o2)nn1-c1ccccc1C(C)C NC(=O)[*:1] Cc1nc(nn1-c1ccccc1C(C)C)C(=O)NCc1ccc(o1)[*:1]
Cc1nc(C(=O)NCc2ccc(C(N)=O)o2)nn1-c1ccccc1C(C)C NC(=O)c1ccc(C[*:1])o1 Cc1nc(nn1-c1ccccc1C(C)C)C(=O)N[*:1]
Cc1nc(C(=O)NCc2ccc(C(N)=O)o2)nn1-c1ccccc1C(C)C NC(=O)c1ccc(o1)[*:1] Cc1nc(nn1-c1ccccc1C(C)C)C(=O)NC[*:1]
Cc1nc(C(=O)NCc2ccc(C(N)=O)o2)nn1-c1ccccc1C(C)C CC(C)[*:1] Cc1nc(nn1-c1ccccc1[*:1])C(=O)NCc1ccc(o1)C(N)=O
CCN[C@@]1(C#N)CCC[C@H](Sc2ccc(Br)cc2)C1 CCN[*:1] N#C[C@]1(CCC[C@@H](C1)Sc1ccc(Br)cc1)[*:1]
NC(=O)c1c(F)cccc1Oc1ccc(Br)c(F)c1 NC(=O)[*:1] Fc1cc(ccc1Br)Oc1cccc(F)c1[*:1]
COc1c(C)cnc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)c1C O=C(N1CCCC1)[*:1] COc1c(C)cnc(CNC(=O)[C@H]2CCCC[C@@H]2[*:1])c1C
CS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(I)cc3)sc2c1 CS(=O)(=O)[*:1] O=S(=O)([N-]c1nc2ccc(cc2s1)[*:1])c1ccc(I)cc1
CS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(I)cc3)sc2c1 Ic1ccc(cc1)[*:1] CS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)[*:1])sc2c1
COc1ccnc(N2CCCC[C@H]2Cn2cc(C)cn2)n1 Cc1cnn(c1)C[*:1] COc1ccnc(n1)N1CCCC[C@@H]1[*:1]
COc1ccnc(N2CCCC[C@H]2Cn2cc(C)cn2)n1 Cc1cnn(c1)[*:1] COc1ccnc(n1)N1CCCC[C@H]1C[*:1]
Cc1ccc(-n2nc(C)c(C(=O)Nc3ccc4c(c3)OCCO4)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nn(nc1C(=O)Nc1ccc2OCCOc2c1)[*:1]
COCCN1C(=O)Cc2ccccc2[C@H]1C(=O)NCc1cccc(C)c1 Cc1cccc(c1)C[*:1] COCCN1C(=O)Cc2ccccc2[C@H]1C(=O)N[*:1]
COCCN1C(=O)Cc2ccccc2[C@H]1C(=O)NCc1cccc(C)c1 Cc1cccc(c1)[*:1] COCCN1C(=O)Cc2ccccc2[C@H]1C(=O)NC[*:1]
COCCN1C(=O)Cc2ccccc2[C@H]1C(=O)NCc1cccc(C)c1 COCC[*:1] Cc1cccc(c1)CNC(=O)[C@@H]1c2ccccc2CC(=O)N1[*:1]
COCCN1C(=O)Cc2ccccc2[C@H]1C(=O)NCc1cccc(C)c1 COC[*:1] Cc1cccc(c1)CNC(=O)[C@@H]1c2ccccc2CC(=O)N1C[*:1]
NS(=O)(=O)c1ccc(Sc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NS(=O)(=O)c1ccc(Sc2ccc(cn2)C(F)(F)F)c(c1)[*:1]
NS(=O)(=O)c1ccc(Sc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 NS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1Sc1ccc(cn1)C(F)(F)F)[*:1]
NS(=O)(=O)c1ccc(Sc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 FC(F)(F)[*:1] NS(=O)(=O)c1ccc(Sc2ccc(cn2)[*:1])c(c1)[N+](=O)[O-]
Cc1cc([C@@H](C)NC(=O)NNC(=O)c2ccccc2O)cc(C)c1F Oc1ccccc1[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)NNC(=O)[*:1]
CCCc1noc([C@](C)(N)C(F)(F)F)n1 FC(F)(F)[*:1] CCCc1noc(n1)[C@](C)(N)[*:1]
CCCc1noc([C@](C)(N)C(F)(F)F)n1 CCC[*:1] C[C@](N)(c1nc(no1)[*:1])C(F)(F)F
CC(C)[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCOC3(CCSCC3)C2)C1 CC(C)[*:1] O[C@H]1CC[C@H](C[C@H]1[C@@H]1CCOC2(CCSCC2)C1)[*:1]
O=C(c1cccnc1)C1CCN(C(=O)Cc2ccc(F)cc2)CC1 c1cncc(c1)[*:1] O=C(Cc1ccc(F)cc1)N1CCC(CC1)C(=O)[*:1]
O=C(c1cccnc1)C1CCN(C(=O)Cc2ccc(F)cc2)CC1 O=C(c1cccnc1)[*:1] O=C(Cc1ccc(F)cc1)N1CCC(CC1)[*:1]
O=C(c1cccnc1)C1CCN(C(=O)Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cccnc1)C1CCN(CC1)C(=O)C[*:1]
O=C(c1cccnc1)C1CCN(C(=O)Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(c1cccnc1)C1CCN(CC1)C(=O)[*:1]
CS[C@@H](C)C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CS[C@@H](C)C(=O)N1CCN(CC1)C(=O)N[*:1]
Cc1cccc(N(CCC(N)=O)Cc2ccc(Cl)s2)c1 NC(=O)[*:1] Cc1cccc(c1)N(CC[*:1])Cc1ccc(Cl)s1
Cc1cccc(N(CCC(N)=O)Cc2ccc(Cl)s2)c1 NC(=O)CC[*:1] Cc1cccc(c1)N(Cc1ccc(Cl)s1)[*:1]
Cc1cccc(N(CCC(N)=O)Cc2ccc(Cl)s2)c1 NC(=O)C[*:1] Cc1cccc(c1)N(Cc1ccc(Cl)s1)C[*:1]
Cc1cccc(N(CCC(N)=O)Cc2ccc(Cl)s2)c1 Clc1ccc(s1)[*:1] Cc1cccc(c1)N(CCC(N)=O)C[*:1]
CC[C@H](C)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 CC[C@H](C)[*:1] COc1ccc(cc1F)[C@H](C)NC(=O)[*:1]
Cc1ccc(C)c(C(=O)[C@H](C)SC[C@H](C)CO)c1 C[C@H](CO)CS[*:1] Cc1ccc(C)c(c1)C(=O)[C@H](C)[*:1]
Cc1ccc(C)c(C(=O)[C@H](C)SC[C@H](C)CO)c1 C[C@H](CO)[*:1] Cc1ccc(C)c(c1)C(=O)[C@H](C)SC[*:1]
Cc1ccc(C)c(C(=O)[C@H](C)SC[C@H](C)CO)c1 C[C@H](CO)C[*:1] Cc1ccc(C)c(c1)C(=O)[C@H](C)S[*:1]
CCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CCc1cc(=O)[nH]c(n1)SCC(=O)N[*:1]
Cc1nc(-c2ccc(NC(=O)C(=O)N[C@@H](C)C(C)C)cc2)cs1 Cc1nc(cs1)[*:1] CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(-c2ccc(NC(=O)C(=O)N[C@@H](C)C(C)C)cc2)cs1 CC(C)[C@H](C)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)C(=O)N[*:1]
Cc1nc(-c2ccc(NC(=O)C(=O)N[C@@H](C)C(C)C)cc2)cs1 CC(C)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)C(=O)N[C@@H](C)[*:1]
CCNC(=O)CN1CCN(C(=O)Cc2ccc(C)c(O)c2)CC1 CCNC(=O)C[*:1] Cc1ccc(cc1O)CC(=O)N1CCN(CC1)[*:1]
CCNC(=O)CN1CCN(C(=O)Cc2ccc(C)c(O)c2)CC1 CCNC(=O)[*:1] Cc1ccc(cc1O)CC(=O)N1CCN(CC1)C[*:1]
Cc1cc(=O)oc2cc(O[C@H](C)C(=O)OC3CCCCC3)ccc12 C1CCC(CC1)[*:1] Cc1cc(=O)oc2cc(ccc12)O[C@H](C)C(=O)O[*:1]
Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)Cn4ccc(C)n4)C3)c2)c1 Cc1ccn(n1)[*:1] Cc1cccc(c1)-c1cccc(c1)NC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)Cn4ccc(C)n4)C3)c2)c1 Cc1ccn(C[*:1])n1 Cc1cccc(c1)-c1cccc(c1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)Cn4ccc(C)n4)C3)c2)c1 Cc1cccc(c1)[*:1] Cc1ccn(CC(=O)N2CCC[C@@H](C2)C(=O)Nc2cccc(c2)[*:1])n1
CC[C@@H](C)SCc1cc(F)cc(/C=C/C(=O)[O-])c1 CC[C@@H](C)S[*:1] O=C([O-])/C=C/c1cc(F)cc(c1)C[*:1]
CC[C@@H](C)SCc1cc(F)cc(/C=C/C(=O)[O-])c1 CC[C@@H](C)SC[*:1] O=C([O-])/C=C/c1cc(F)cc(c1)[*:1]
CC[C@@H](C)SCc1cc(F)cc(/C=C/C(=O)[O-])c1 CC[C@@H](C)[*:1] O=C([O-])/C=C/c1cc(F)cc(c1)CS[*:1]
CC[C@@H](C)SCc1cc(F)cc(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] CC[C@@H](C)SCc1cc(F)cc(c1)[*:1]
CC[C@@H](C)SCc1cc(F)cc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] CC[C@@H](C)SCc1cc(F)cc(C=C[*:1])c1
CO[C@]1(C)C[C@@H](NC(=O)c2c(F)cc(OC(F)F)cc2F)C1(C)C FC(F)[*:1] CO[C@]1(C)C[C@@H](NC(=O)c2c(F)cc(cc2F)O[*:1])C1(C)C
CO[C@]1(C)C[C@@H](NC(=O)c2c(F)cc(OC(F)F)cc2F)C1(C)C FC(F)O[*:1] CO[C@]1(C)C[C@@H](NC(=O)c2c(F)cc(cc2F)[*:1])C1(C)C
CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccn2C)cc1 CCCN(CCC)C(=O)[*:1] Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccn2C)cc1 Cn1cccc1[*:1] CCCN(CCC)C(=O)c1ccc(cc1)NC(=O)N1CCC[C@H]1[*:1]
CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccn2C)cc1 CCC[*:1] CCCN(C(=O)c1ccc(cc1)NC(=O)N1CCC[C@@H]1c1cccn1C)[*:1]
C[C@@H]1CCC[C@@H](OCC(=O)NCc2ccnc(OC(C)(C)C)c2)C1 CC(C)(C)O[*:1] C[C@@H]1CCC[C@H](C1)OCC(=O)NCc1ccnc(c1)[*:1]
C[C@@H]1CCC[C@@H](OCC(=O)NCc2ccnc(OC(C)(C)C)c2)C1 CC(C)(C)[*:1] C[C@@H]1CCC[C@H](C1)OCC(=O)NCc1ccnc(c1)O[*:1]
COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC(C)C)[nH]c(=O)c32)cc1 COC(=O)[*:1] CC(C)Sc1nc2NC3CC(C)(C)CC(=O)C=3[C@@H](c3ccc(cc3)[*:1])c2c(=O)[nH]1
COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC(C)C)[nH]c(=O)c32)cc1 COC(=O)c1ccc(cc1)[*:1] CC(C)Sc1nc2NC3CC(C)(C)CC(=O)C=3[C@H](c2c(=O)[nH]1)[*:1]
COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC(C)C)[nH]c(=O)c32)cc1 CC(C)S[*:1] COC(=O)c1ccc(cc1)[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2nc([nH]c(=O)c21)[*:1]
COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SC(C)C)[nH]c(=O)c32)cc1 CC(C)[*:1] COC(=O)c1ccc(cc1)[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2nc([nH]c(=O)c21)S[*:1]
CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O CC(C)[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)N1c2ccccc2CC[C@H]1[*:1]
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 C=CCOc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(Cl)cc2)N1c1ccccn1
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] C=CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2ccccn2)[C@H]1[*:1]
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 c1ccc(nc1)[*:1] C=CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(Cl)cc1)[*:1]
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 C=CC[*:1] O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)O[*:1]
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 C=CCO[*:1] O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)[*:1]
Cc1ccc2nc(NC(=O)c3nn(C(C)C)c(=O)c4ccccc34)sc2c1 CC(C)[*:1] Cc1ccc2nc(NC(=O)c3nn(c(=O)c4ccccc34)[*:1])sc2c1
Cc1nc(C)c(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)NCCCC[NH+]1CCN(CC1)[*:1]
Cc1nc(C)c(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)s1 Cc1nc(C)c(s1)[*:1] O=C(NCCCC[NH+]1CCN(CC1)c1ccccc1)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)[C@@H]1CCC[C@H](C1)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)[*:1] C[C@@H]1CC[C@@H]([C@@](O)(C1)[C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
C[C@H]1CN(C(=O)Cn2cc(Nc3nccnc3C#N)cn2)C[C@H](C)O1 N#Cc1nccnc1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Cn1cc(cn1)N[*:1]
C[C@H](O)CN(C)C(=O)c1c(F)ccc([N+](=O)[O-])c1F C[C@H](O)[*:1] CN(C[*:1])C(=O)c1c(F)ccc(c1F)[N+](=O)[O-]
C[C@H](O)CN(C)C(=O)c1c(F)ccc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] C[C@H](O)CN(C)C(=O)c1c(F)ccc(c1F)[*:1]
C[C@H](O)CN(C)C(=O)c1c(F)ccc([N+](=O)[O-])c1F C[C@H](O)C[*:1] CN(C(=O)c1c(F)ccc(c1F)[N+](=O)[O-])[*:1]
COc1cc(CNC(=O)Cc2c(C)nc3ccccc3c2C)ccn1 COc1cc(ccn1)[*:1] Cc1nc2ccccc2c(C)c1CC(=O)NC[*:1]
CC(C)c1cc(N[C@@H](C)CCCO)ncn1 OCCC[*:1] CC(C)c1cc(ncn1)N[C@@H](C)[*:1]
CC(C)c1cc(N[C@@H](C)CCCO)ncn1 CC(C)[*:1] C[C@@H](CCCO)Nc1cc(ncn1)[*:1]
CC(C)c1cc(N[C@@H](C)CCCO)ncn1 OCC[*:1] CC(C)c1cc(ncn1)N[C@@H](C)C[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1 c1csc(c1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2nc([nH]c2c1)[*:1]
Cc1ccc2nc(C(=O)NCCCc3c(C)n[nH]c3C)cn2c1 Cc1n[nH]c(C)c1[*:1] Cc1ccc2nc(cn2c1)C(=O)NCCC[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc21 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)Nc1cc(Cl)ccc1O[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc21 c1ccc(cc1)O[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)Nc1cc(Cl)ccc1[*:1]
COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-c1ccccc1
COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-c1ccccc1
O=C(/C=C/C1CC1)NC1c2ccccc2Oc2ccccc21 C1CC1[*:1] O=C(C=C[*:1])NC1c2ccccc2Oc2ccccc21
O=C(/C=C/C1CC1)NC1c2ccccc2Oc2ccccc21 C(=C[*:1])C1CC1 O=C(NC1c2ccccc2Oc2ccccc21)[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)N[C@H](C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N[C@H](C)[*:1]
CN(C)c1ccc(/C=N/n2cnc3ccccc32)cc1 CN(C)[*:1] C(=N/n1cnc2ccccc21)\c1ccc(cc1)[*:1]
COc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)c(OC)c1 c1csc(c1)[*:1] COc1ccc(C(=O)Nc2cc(C)nn2-c2nc(cs2)[*:1])c(c1)OC
O=C(C[C@H]1C=CCC1)Nc1cccc(Cl)c1N1CCOCC1 C1CN(CCO1)[*:1] O=C(C[C@H]1C=CCC1)Nc1cccc(Cl)c1[*:1]
Cc1cccc2c(CCNC(=O)N[C@H](CO)c3ccccc3)c[nH]c12 c1ccc(cc1)[*:1] Cc1cccc2c(c[nH]c12)CCNC(=O)N[C@H](CO)[*:1]
COC(=O)c1cccc(C(=O)NC[C@@H](C)c2ccsc2)c1 c1cc(cs1)[*:1] COC(=O)c1cccc(c1)C(=O)NC[C@@H](C)[*:1]
COC(=O)c1cccc(C(=O)NC[C@@H](C)c2ccsc2)c1 COC(=O)[*:1] C[C@H](CNC(=O)c1cccc(c1)[*:1])c1ccsc1
O=C(Nc1cccnc1)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(Nc1cccnc1)NC(C1CC1)[*:1]
CC(C)c1ccc(-n2nnn(CN(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c2=S)cc1 c1csc(c1)[*:1] CC(C)c1ccc(cc1)-n1nnn(CN(C[*:1])[C@H]2CCS(=O)(=O)C2)c1=S
CC(C)c1ccc(-n2nnn(CN(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c2=S)cc1 c1csc(c1)C[*:1] CC(C)c1ccc(cc1)-n1nnn(CN([C@H]2CCS(=O)(=O)C2)[*:1])c1=S
CC(C)c1ccc(-n2nnn(CN(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c2=S)cc1 CC(C)[*:1] O=S1(=O)CC[C@@H](C1)N(Cc1cccs1)Cn1nnn(-c2ccc(cc2)[*:1])c1=S
CC(C)c1ccc(-n2nnn(CN(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c2=S)cc1 CC(C)c1ccc(cc1)[*:1] O=S1(=O)CC[C@@H](C1)N(Cc1cccs1)Cn1nnn(c1=S)[*:1]
CSc1nc2nc(C)c(CC(=O)NCc3ccccc3Cl)c(C)n2n1 Clc1ccccc1[*:1] CSc1nc2nc(C)c(CC(=O)NC[*:1])c(C)n2n1
CSc1nc2nc(C)c(CC(=O)NCc3ccccc3Cl)c(C)n2n1 Clc1ccccc1C[*:1] CSc1nc2nc(C)c(CC(=O)N[*:1])c(C)n2n1
COc1ccc(Nc2nnc(SCc3nccn3C(F)F)s2)cc1 COc1ccc(cc1)[*:1] FC(F)n1ccnc1CSc1nnc(N[*:1])s1
COc1ccc(Nc2nnc(SCc3nccn3C(F)F)s2)cc1 FC(F)n1ccnc1[*:1] COc1ccc(cc1)Nc1nnc(SC[*:1])s1
COc1ccc(Nc2nnc(SCc3nccn3C(F)F)s2)cc1 FC(F)[*:1] COc1ccc(cc1)Nc1nnc(SCc2nccn2[*:1])s1
N#CC1=C(N)OC2=NC=NC(=O)[C@@H]2[C@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] N#CC1=C(N)OC2=NC=NC(=O)[C@@H]2[C@H]1c1cccc(c1)[*:1]
C[C@H]1CN(C[C@H](O)CN2CCN(C(=O)c3ccncc3)CC2)C[C@@H](C)O1 c1cc(ccn1)[*:1] C[C@H]1CN(C[C@H](O)CN2CCN(CC2)C(=O)[*:1])C[C@@H](C)O1
COc1ccccc1COC1CCN(C(=O)c2cc(C#N)cs2)CC1 COc1ccccc1[*:1] N#Cc1csc(c1)C(=O)N1CCC(CC1)OC[*:1]
COc1ccccc1COC1CCN(C(=O)c2cc(C#N)cs2)CC1 N#Cc1csc(c1)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)[*:1]
Cc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2cccnc2)c1[O-] c1cncc(c1)C[*:1] Cc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
Cc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2cccnc2)c1[O-] Cc1ccccc1OC[*:1] Cc1c(C(=O)[*:1])c([O-])n(Cc2cccnc2)c(=O)c1C#N
Cc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2cccnc2)c1[O-] c1cncc(c1)[*:1] Cc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(C[*:1])c1[O-]
Cc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2cccnc2)c1[O-] Cc1ccccc1[*:1] Cc1c(C(=O)CO[*:1])c([O-])n(Cc2cccnc2)c(=O)c1C#N
Cc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2cccnc2)c1[O-] Cc1ccccc1O[*:1] Cc1c(C(=O)C[*:1])c([O-])n(Cc2cccnc2)c(=O)c1C#N
Cn1c(SC[C@H]2CCCCO2)nc2sc3c(c2c1=O)CCC3 C1CC[C@@H](OC1)[*:1] Cn1c(nc2sc3CCCc3c2c1=O)SC[*:1]
Cn1c(SC[C@H]2CCCCO2)nc2sc3c(c2c1=O)CCC3 C1CC[C@H](C[*:1])OC1 Cn1c(nc2sc3CCCc3c2c1=O)S[*:1]
O=C(CNC(=O)c1cccc(F)c1)NC[C@@H]1C[C@@]12CCc1ccccc12 Fc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])NC[C@@H]1C[C@@]12CCc1ccccc12
Cc1ccc2oc(C(=O)N[C@@H](C)C(=O)N3CCCCC3)c(C)c2c1 O=C(N1CCCCC1)[*:1] Cc1ccc2oc(C(=O)N[C@@H](C)[*:1])c(C)c2c1
COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 COc1cccc(c1)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1[*:1]
COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 O=C(c1ccc(Cl)cc1)[*:1] COc1cccc(c1)[C@H]1C(=C([O-])C(=O)N1c1cc(C)on1)[*:1]
COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 Cc1cc(no1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1[*:1]
COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1cc(C)on1
CSC[C@@H](NCCc1nc[nH]n1)c1ccccc1 CSC[*:1] c1ccc(cc1)[C@H](NCCc1nc[nH]n1)[*:1]
CSC[C@@H](NCCc1nc[nH]n1)c1ccccc1 c1ccc(cc1)[*:1] CSC[C@@H](NCCc1nc[nH]n1)[*:1]
C[C@@H]1CCc2c(sc(NC(=O)CCn3cc([N+](=O)[O-])cn3)c2C#N)C1 O=[N+]([O-])[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CCn1cc(cn1)[*:1])c2C#N
C[C@@H]1CCc2c(sc(NC(=O)CCn3cc([N+](=O)[O-])cn3)c2C#N)C1 O=[N+]([O-])c1cnn(c1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CC[*:1])c2C#N
Cc1c(C(=O)N2CCC(=O)Nc3ccccc32)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC(=O)Nc2ccccc21
Cc1nc(C[NH+](C)Cc2cc(C)c(C)cc2C)no1 Cc1nc(no1)[*:1] Cc1cc(C)c(cc1C)C[NH+](C)C[*:1]
CC(C)NC(=O)NC(=O)CSc1nnc(NC2CC2)s1 CC(C)[*:1] O=C(CSc1nnc(NC2CC2)s1)NC(=O)N[*:1]
CC(C)NC(=O)NC(=O)CSc1nnc(NC2CC2)s1 C1CC1N[*:1] CC(C)NC(=O)NC(=O)CSc1nnc(s1)[*:1]
CC(C)NC(=O)NC(=O)CSc1nnc(NC2CC2)s1 C1CC1[*:1] CC(C)NC(=O)NC(=O)CSc1nnc(N[*:1])s1
Cc1cc(CS(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)no1 Cn1cnnc1[*:1] Cc1cc(CS(=O)(=O)[N-]c2ccc(cc2)[*:1])no1
Cc1cc(CS(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)no1 Cc1cc(C[*:1])no1 Cn1cnnc1-c1ccc(cc1)[N-]S(=O)(=O)[*:1]
Cc1cc(CS(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)no1 Cc1cc(no1)[*:1] Cn1cnnc1-c1ccc(cc1)[N-]S(=O)(=O)C[*:1]
C=CCN1C(=O)NC(=O)[C@H](c2ccccc2)C1=O c1ccc(cc1)[*:1] C=CCN1C(=O)NC(=O)[C@H](C1=O)[*:1]
C=CCN1C(=O)NC(=O)[C@H](c2ccccc2)C1=O C=CC[*:1] O=C1NC(=O)N(C(=O)[C@H]1c1ccccc1)[*:1]
Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)s1 c1nnc(o1)[*:1] Cc1nc(C)c(s1)S(=O)(=O)[N-]c1cccc(c1)[*:1]
Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)s1 Cc1nc(C)c(s1)[*:1] O=S(=O)([N-]c1cccc(c1)-c1nnco1)[*:1]
CCn1c(C(=O)NOCC(N)=O)cc2ccccc21 NC(=O)[*:1] CCn1c(cc2ccccc21)C(=O)NOC[*:1]
CCn1c(C(=O)NOCC(N)=O)cc2ccccc21 NC(=O)C[*:1] CCn1c(cc2ccccc21)C(=O)NO[*:1]
CCc1ccc2c(c1)C(c1cccs1)=NNC(c1cccnc1)=N2 c1csc(c1)[*:1] CCc1ccc2N=C(NN=C(c2c1)[*:1])c1cccnc1
CCc1ccc2c(c1)C(c1cccs1)=NNC(c1cccnc1)=N2 c1cncc(c1)[*:1] CCc1ccc2N=C(NN=C(c3cccs3)c2c1)[*:1]
COCCOc1cccc(N[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 Cc1ccc(cc1Cl)[*:1] COCCOc1cccc(c1)N[C@@H]1CC(=O)N(C1=O)[*:1]
COCCOc1cccc(N[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 COCC[*:1] Cc1ccc(cc1Cl)N1C(=O)C[C@@H](Nc2cccc(c2)O[*:1])C1=O
COCCOc1cccc(N[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 COC[*:1] Cc1ccc(cc1Cl)N1C(=O)C[C@@H](Nc2cccc(c2)OC[*:1])C1=O
COCCOc1cccc(N[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 COCCO[*:1] Cc1ccc(cc1Cl)N1C(=O)C[C@@H](Nc2cccc(c2)[*:1])C1=O
Cc1cccn2cc(-c3ccc(NC(=O)OCC(F)(F)F)cc3)nc12 FC(F)(F)[*:1] Cc1cccn2cc(nc12)-c1ccc(cc1)NC(=O)OC[*:1]
Cc1cccn2cc(-c3ccc(NC(=O)OCC(F)(F)F)cc3)nc12 FC(F)(F)C[*:1] Cc1cccn2cc(nc12)-c1ccc(cc1)NC(=O)O[*:1]
O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 c1cc2OCCCOc2cc1[*:1] O=C(N[*:1])c1ccc(cc1)CNC(=O)C12CC3CC(CC(C3)C1)C2
Cc1cc(C)cc(C(=O)NCC(=O)NCCc2ccc3c(c2)OCCO3)c1 Cc1cc(C)cc(c1)[*:1] O=C(CNC(=O)[*:1])NCCc1ccc2OCCOc2c1
Nc1c(N2CCc3ccccc32)nc[nH+]c1Nc1ccc(Br)cc1 Brc1ccc(cc1)N[*:1] Nc1c(nc[nH+]c1[*:1])N1CCc2ccccc21
Nc1c(N2CCc3ccccc32)nc[nH+]c1Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Nc1c(nc[nH+]c1N[*:1])N1CCc2ccccc21
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccc(Oc3ncccn3)cc2)C1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)Oc1ncccn1)[C@@H]1CCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccc(Oc3ncccn3)cc2)C1 c1cnc(nc1)O[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccc(Oc3ncccn3)cc2)C1 c1cnc(nc1)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)C(=O)Nc1ccc(cc1)O[*:1]
C[C@H](C(=O)c1ccccc1)c1nc2nnc(N)n2nc1[O-] c1ccc(cc1)[*:1] C[C@H](C(=O)[*:1])c1nc2nnc(N)n2nc1[O-]
O=C(NCCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])C1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
O=C(NCCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 Fc1ccc(cc1)C[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
O=C(NCCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 Clc1ccc(Cl)c(c1)[*:1] O=C(NCCc1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 Fc1ccc(cc1)CC[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
Cc1ccc(-c2ncco2)cc1NC(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)C[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)Cc1cccc(F)c1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)Cc1cccc(F)c1)[*:1]
CS(=O)(=O)c1ccc(CC[NH3+])cc1 [NH3+]CC[*:1] CS(=O)(=O)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(CC[NH3+])cc1 CS(=O)(=O)[*:1] [NH3+]CCc1ccc(cc1)[*:1]
NC(=O)COc1ccc([C@@H]2NC(=O)CN2Cc2ccc(Br)cc2)cc1 Brc1ccc(cc1)C[*:1] NC(=O)COc1ccc(cc1)[C@@H]1NC(=O)CN1[*:1]
NC(=O)COc1ccc([C@@H]2NC(=O)CN2Cc2ccc(Br)cc2)cc1 NC(=O)C[*:1] O=C1CN(Cc2ccc(Br)cc2)[C@@H](N1)c1ccc(cc1)O[*:1]
NC(=O)COc1ccc([C@@H]2NC(=O)CN2Cc2ccc(Br)cc2)cc1 NC(=O)CO[*:1] O=C1CN(Cc2ccc(Br)cc2)[C@@H](N1)c1ccc(cc1)[*:1]
NC(=O)COc1ccc([C@@H]2NC(=O)CN2Cc2ccc(Br)cc2)cc1 NC(=O)[*:1] O=C1CN(Cc2ccc(Br)cc2)[C@@H](N1)c1ccc(cc1)OC[*:1]
NC(=O)COc1ccc([C@@H]2NC(=O)CN2Cc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] NC(=O)COc1ccc(cc1)[C@@H]1NC(=O)CN1C[*:1]
Cc1noc(CNC(=O)[C@H](C)c2ccc3ccccc3c2)n1 Cc1noc(C[*:1])n1 C[C@@H](C(=O)N[*:1])c1ccc2ccccc2c1
Cc1noc(CNC(=O)[C@H](C)c2ccc3ccccc3c2)n1 Cc1noc(n1)[*:1] C[C@@H](C(=O)NC[*:1])c1ccc2ccccc2c1
O=C(Nc1nc2c(s1)CN(C(=O)c1ccccc1C(F)(F)F)CC2)C1CC1 C1CC1[*:1] O=C(c1ccccc1C(F)(F)F)N1CCc2nc(NC(=O)[*:1])sc2C1
O=C(Nc1nc2c(s1)CN(C(=O)c1ccccc1C(F)(F)F)CC2)C1CC1 O=C(N[*:1])C1CC1 O=C(c1ccccc1C(F)(F)F)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)c1ccccc1C(F)(F)F)CC2)C1CC1 FC(F)(F)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1ccccc1[*:1])C1CC1
CCCCCOc1cc(C)ccc1S(=O)(=O)N1CCCC1 CCCCC[*:1] Cc1ccc(c(c1)O[*:1])S(=O)(=O)N1CCCC1
CCCCCOc1cc(C)ccc1S(=O)(=O)N1CCCC1 CCCCCO[*:1] Cc1ccc(c(c1)[*:1])S(=O)(=O)N1CCCC1
CCCCCOc1cc(C)ccc1S(=O)(=O)N1CCCC1 CCC[*:1] Cc1ccc(c(c1)OCC[*:1])S(=O)(=O)N1CCCC1
CCCCCOc1cc(C)ccc1S(=O)(=O)N1CCCC1 CCCC[*:1] Cc1ccc(c(c1)OC[*:1])S(=O)(=O)N1CCCC1
C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)N1c2ccccc2NC(=O)C1(C)C CS(=O)(=O)N1CCC[C@H]1[*:1] C[C@H](OC(=O)[*:1])C(=O)N1c2ccccc2NC(=O)C1(C)C
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])N[C@H]1CCS(=O)(=O)C1
CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)N1CCN(CC1)CC(=O)N1CCCCCC1
CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 CC(C)[*:1] O=C(Cc1ccccc1)N[C@@H](C(=O)N1CCN(CC1)CC(=O)N1CCCCCC1)[*:1]
CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 O=C(Cc1ccccc1)N[*:1] CC(C)[C@@H](C(=O)N1CCN(CC1)CC(=O)N1CCCCCC1)[*:1]
CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 O=C(C[*:1])N1CCCCCC1 CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)[*:1]
CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 O=C(N1CCCCCC1)[*:1] CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)C[*:1]
CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 c1ccc(cc1)C[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCN(CC1)CC(=O)N1CCCCCC1
CN[C@@]1(C(N)=O)CCC[C@@H]([NH+]2Cc3ccccc3C2)C1 NC(=O)[*:1] CN[C@]1(CCC[C@H](C1)[NH+]1Cc2ccccc2C1)[*:1]
Fc1ccc(-n2cc(C[NH2+][C@H](Cn3cncn3)c3ccccc3)cn2)cc1 c1ncn(n1)[*:1] Fc1ccc(cc1)-n1cc(cn1)C[NH2+][C@H](C[*:1])c1ccccc1
Fc1ccc(-n2cc(C[NH2+][C@H](Cn3cncn3)c3ccccc3)cn2)cc1 c1ncn(C[*:1])n1 Fc1ccc(cc1)-n1cc(cn1)C[NH2+][C@H](c1ccccc1)[*:1]
Fc1ccc(-n2cc(C[NH2+][C@H](Cn3cncn3)c3ccccc3)cn2)cc1 Fc1ccc(cc1)[*:1] c1ccc(cc1)[C@@H](Cn1cncn1)[NH2+]Cc1cnn(c1)[*:1]
Fc1ccc(-n2cc(C[NH2+][C@H](Cn3cncn3)c3ccccc3)cn2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)-n1cc(cn1)C[NH2+][C@H](Cn1cncn1)[*:1]
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc2[nH]cnc2c1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc2[nH]cnc2c1
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc2[nH]cnc2c1 O=C1CCCN1C[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2[nH]cnc2c1
CC[C@H](C)N/C(NCCc1sc(C)nc1C)=[NH+]\C CC[C@H](C)[*:1] C/[NH+]=C(/NCCc1sc(C)nc1C)N[*:1]
Fc1ccc([C@H](NCc2coc(-c3cccs3)n2)c2cccs2)cc1 Fc1ccc(cc1)[*:1] c1csc(c1)-c1nc(co1)CN[C@H](c1cccs1)[*:1]
Fc1ccc([C@H](NCc2coc(-c3cccs3)n2)c2cccs2)cc1 c1csc(c1)[*:1] Fc1ccc(cc1)[C@H](NCc1coc(n1)[*:1])c1cccs1
Fc1ccc([C@H](NCc2coc(-c3cccs3)n2)c2cccs2)cc1 c1csc(c1)[*:1] Fc1ccc(cc1)[C@H](NCc1coc(n1)-c1cccs1)[*:1]
CCC(CC)[C@@H](O)CNc1cc(-n2cccn2)nc(N)n1 CCC(CC)[C@@H](O)[*:1] Nc1nc(cc(n1)-n1cccn1)NC[*:1]
CCC(CC)[C@@H](O)CNc1cc(-n2cccn2)nc(N)n1 c1cnn(c1)[*:1] CCC(CC)[C@@H](O)CNc1cc(nc(N)n1)[*:1]
CCC(CC)[C@@H](O)CNc1cc(-n2cccn2)nc(N)n1 CCC(CC)[*:1] Nc1nc(cc(n1)-n1cccn1)NC[C@H](O)[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)CCCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1nnnn1-c1ccc(F)c(c1)NC(=O)CC[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)CCCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1nnnn1-c1ccc(F)c(c1)NC(=O)CCC[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)CCCc2ccccc2)c1 Cc1nnnn1[*:1] O=C(CCCc1ccccc1)Nc1cc(ccc1F)[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)CCCc2ccccc2)c1 c1ccc(cc1)CC[*:1] Cc1nnnn1-c1ccc(F)c(c1)NC(=O)C[*:1]
C[C@@H](CC(=O)N(C)Cc1nc(C(F)(F)F)cs1)c1cccc(F)c1 FC(F)(F)[*:1] C[C@@H](CC(=O)N(C)Cc1nc(cs1)[*:1])c1cccc(F)c1
C[C@@H](CC(=O)N(C)Cc1nc(C(F)(F)F)cs1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](CC(=O)N(C)Cc1nc(cs1)C(F)(F)F)[*:1]
Cc1ccc2oc(-c3ocnc3C[NH2+]C(C)C)cc2c1 CC(C)[*:1] Cc1ccc2oc(cc2c1)-c1ocnc1C[NH2+][*:1]
CC(C)NC(=O)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21 O=C(N[*:1])c1ccco1 CC(C)NC(=O)Cn1c(CC[*:1])nc2ccccc21
CC(C)NC(=O)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21 CC(C)[*:1] O=C(Cn1c(CCNC(=O)c2ccco2)nc2ccccc21)N[*:1]
CC(C)NC(=O)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21 c1coc(c1)[*:1] CC(C)NC(=O)Cn1c(CCNC(=O)[*:1])nc2ccccc21
CC(C)NC(=O)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21 CC(C)NC(=O)[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])c1ccco1
CC(C)NC(=O)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21 CC(C)NC(=O)C[*:1] O=C(NCCc1nc2ccccc2n1[*:1])c1ccco1
O=C(NCc1cc(=O)n2nc(-c3ccccc3Cl)sc2n1)c1ccccc1F Clc1ccccc1[*:1] O=C(NCc1cc(=O)n2nc(sc2n1)[*:1])c1ccccc1F
O=C(NCc1cc(=O)n2nc(-c3ccccc3Cl)sc2n1)c1ccccc1F Fc1ccccc1[*:1] O=C(NCc1cc(=O)n2nc(sc2n1)-c1ccccc1Cl)[*:1]
O=C(Cc1ccccc1)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl c1ccc(cc1)[*:1] O=C(C[*:1])N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl
O=C(Cc1ccccc1)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl c1ccc(cc1)C[*:1] O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)[*:1]
O=C(Cc1ccccc1)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=C(Cc1ccccc1)N[C@@H](N1CCOCC1)[*:1]
O=C(Cc1ccccc1)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl C1CN(CCO1)[*:1] O=C(Cc1ccccc1)N[C@@H](C(Cl)(Cl)Cl)[*:1]
Cc1cccc(NC(=O)CCCc2cccs2)c1C(=O)N1CCCC1 c1csc(c1)CCC[*:1] Cc1cccc(NC(=O)[*:1])c1C(=O)N1CCCC1
Cc1cccc(NC(=O)CCCc2cccs2)c1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1cccc(NC(=O)CCCc2cccs2)c1[*:1]
Cc1cccc(NC(=O)CCCc2cccs2)c1C(=O)N1CCCC1 c1csc(c1)C[*:1] Cc1cccc(NC(=O)CC[*:1])c1C(=O)N1CCCC1
Cc1cccc(NC(=O)CCCc2cccs2)c1C(=O)N1CCCC1 c1csc(c1)CC[*:1] Cc1cccc(NC(=O)C[*:1])c1C(=O)N1CCCC1
Cc1cccc(NC(=O)CCCc2cccs2)c1C(=O)N1CCCC1 c1csc(c1)[*:1] Cc1cccc(NC(=O)CCC[*:1])c1C(=O)N1CCCC1
CCN/C(N)=N/c1nc(C)c2ccc(C)cc2n1 CCNC(N)=N[*:1] Cc1ccc2c(C)nc(nc2c1)[*:1]
Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cn1 c1cc(ccn1)[*:1] Cc1ccc(cn1)C(=O)N1C[C@H]2CC[C@@H]1CN(C2)C(=O)[*:1]
Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cn1 Cc1ccc(cn1)[*:1] O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
Cc1csc(N2CCN(CCn3cncn3)CC2)n1 c1ncn(n1)[*:1] Cc1csc(n1)N1CCN(CC1)CC[*:1]
Cc1csc(N2CCN(CCn3cncn3)CC2)n1 c1ncn(C[*:1])n1 Cc1csc(n1)N1CCN(CC1)C[*:1]
Cc1csc(N2CCN(CCn3cncn3)CC2)n1 Cc1csc(n1)[*:1] c1ncn(CCN2CCN(CC2)[*:1])n1
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CC=C(c4ccccc4)CC3)cc12 c1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)N1CC=C(CC1)c1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CC=C(c4ccccc4)CC3)cc12 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N1CC=C(CC1)[*:1]
COC(=O)c1sccc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCC3 COC(=O)[*:1] Cc1c(sc2nc3CCCCn3c(=O)c12)C(=O)Nc1ccsc1[*:1]
COC(=O)c1sccc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCC3 COC(=O)c1sccc1[*:1] Cc1c(sc2nc3CCCCn3c(=O)c12)C(=O)N[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccnn2C(C)C)CC1 CCCC[*:1] CC(C)n1nccc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccnn2C(C)C)CC1 CC(C)n1nccc1[*:1] CCCCS(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccnn2C(C)C)CC1 CCC[*:1] CC(C)n1nccc1NC(=O)C1CCN(CC1)S(=O)(=O)C[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccnn2C(C)C)CC1 CC(C)[*:1] CCCCS(=O)(=O)N1CCC(CC1)C(=O)Nc1ccnn1[*:1]
COC(=O)CN1C(=S)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 Fc1ccc(cc1)[*:1] COC(=O)CN1C(=S)N(C(=O)[C@H]1CC(=O)Nc1ccccc1)[*:1]
COC(=O)CN1C(=S)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] COC(=O)CN1C(=S)N(C(=O)[C@H]1CC(=O)N[*:1])c1ccc(F)cc1
COC(=O)CN1C(=S)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] COC(=O)CN1C(=S)N(C(=O)[C@H]1C[*:1])c1ccc(F)cc1
COC(=O)CN1C(=S)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 COC(=O)[*:1] O=C(C[C@@H]1C(=O)N(C(=S)N1C[*:1])c1ccc(F)cc1)Nc1ccccc1
COC(=O)CN1C(=S)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 COC(=O)C[*:1] O=C(C[C@@H]1C(=O)N(C(=S)N1[*:1])c1ccc(F)cc1)Nc1ccccc1
COC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 COC(=O)[*:1] O=C(NC[*:1])c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1
COC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 c1ccc(cc1)[*:1] COC(=O)CNC(=O)c1cn(nc1-c1ccc(Cl)cc1)[*:1]
COC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)CNC(=O)c1cn(nc1[*:1])-c1ccccc1
COC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 COC(=O)CNC(=O)[*:1] Clc1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
COC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 COC(=O)C[*:1] O=C(N[*:1])c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1
CCCCNC(=O)[C@H]1CSC[NH2+]1 CCC[*:1] O=C(NC[*:1])[C@H]1CSC[NH2+]1
CCCCNC(=O)[C@H]1CSC[NH2+]1 CCCC[*:1] O=C(N[*:1])[C@H]1CSC[NH2+]1
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCc2cc(F)ccc2C1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)CN1CCc2cc(F)ccc2C1)[*:1]
CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(F)c(C(N)=O)c1 NC(=O)[*:1] CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(F)c(c1)[*:1]
CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(F)c(C(N)=O)c1 CC(=O)N[*:1] NC(=O)c1cc(ccc1F)NC(=O)C(=Cc1ccccc1)[*:1]
CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(F)c(C(N)=O)c1 c1ccc(cc1)[*:1] CC(=O)NC(=C[*:1])C(=O)Nc1ccc(F)c(c1)C(N)=O
CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3nncn3C)nc(=O)c12 Cn1cnnc1[*:1] CC[C@H](C)Cc1c(C)sc2[nH]c(nc(=O)c12)SC[*:1]
CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3nncn3C)nc(=O)c12 CC[C@H](C)C[*:1] Cc1sc2[nH]c(nc(=O)c2c1[*:1])SCc1nncn1C
CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3nncn3C)nc(=O)c12 Cn1cnnc1C[*:1] CC[C@H](C)Cc1c(C)sc2[nH]c(nc(=O)c12)S[*:1]
CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3nncn3C)nc(=O)c12 CC[C@H](C)[*:1] Cc1sc2[nH]c(nc(=O)c2c1C[*:1])SCc1nncn1C
CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3nncn3C)nc(=O)c12 Cn1cnnc1CS[*:1] CC[C@H](C)Cc1c(C)sc2[nH]c(nc(=O)c12)[*:1]
CCc1oc(C(=O)NCCc2cc(=O)[nH]c(C)n2)cc1C[NH+]1CCCC1 Cc1nc(cc(=O)[nH]1)[*:1] CCc1oc(cc1C[NH+]1CCCC1)C(=O)NCC[*:1]
CN[C@@]1(C(=O)OC)CCC[C@@H]1CCSC CSC[*:1] CN[C@]1(CCC[C@@H]1C[*:1])C(=O)OC
CN[C@@]1(C(=O)OC)CCC[C@@H]1CCSC CSCC[*:1] CN[C@]1(CCC[C@H]1[*:1])C(=O)OC
CN[C@@]1(C(=O)OC)CCC[C@@H]1CCSC COC(=O)[*:1] CN[C@]1(CCC[C@@H]1CCSC)[*:1]
CCCCNC(=O)[C@]1(C)CC[C@@](C)(C(=O)[O-])C1(C)C CCCC[*:1] CC1(C)[C@@](C)(CC[C@@]1(C)C(=O)N[*:1])C(=O)[O-]
CCCCNC(=O)[C@]1(C)CC[C@@](C)(C(=O)[O-])C1(C)C CCC[*:1] CC1(C)[C@@](C)(CC[C@@]1(C)C(=O)NC[*:1])C(=O)[O-]
CCCCNC(=O)[C@]1(C)CC[C@@](C)(C(=O)[O-])C1(C)C O=C([O-])[*:1] CCCCNC(=O)[C@]1(C)CC[C@@](C)(C1(C)C)[*:1]
NC(=O)c1csc(N2C[C@@H](C[NH+]3CCCCC3)[C@@H](CO)C2)n1 NC(=O)[*:1] OC[C@H]1CN(C[C@H]1C[NH+]1CCCCC1)c1nc(cs1)[*:1]
Cc1ccc(CC(=O)N(Cc2ccco2)c2nc3ccc(S(C)(=O)=O)cc3s2)c(C)c1 CS(=O)(=O)[*:1] Cc1ccc(CC(=O)N(Cc2ccco2)c2nc3ccc(cc3s2)[*:1])c(C)c1
Cc1ccc(CC(=O)N(Cc2ccco2)c2nc3ccc(S(C)(=O)=O)cc3s2)c(C)c1 c1coc(c1)[*:1] Cc1ccc(CC(=O)N(C[*:1])c2nc3ccc(cc3s2)S(C)(=O)=O)c(C)c1
Cc1ccc(CC(=O)N(Cc2ccco2)c2nc3ccc(S(C)(=O)=O)cc3s2)c(C)c1 Cc1ccc(C[*:1])c(C)c1 CS(=O)(=O)c1ccc2nc(sc2c1)N(Cc1ccco1)C(=O)[*:1]
Cc1ccc(CC(=O)N(Cc2ccco2)c2nc3ccc(S(C)(=O)=O)cc3s2)c(C)c1 c1coc(c1)C[*:1] Cc1ccc(CC(=O)N(c2nc3ccc(cc3s2)S(C)(=O)=O)[*:1])c(C)c1
Cc1ccc(CC(=O)N(Cc2ccco2)c2nc3ccc(S(C)(=O)=O)cc3s2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(Cc1ccco1)C(=O)C[*:1]
CCCS(=O)(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 CCC[*:1] COc1ccc(OC)c(c1)C[NH+]1CCN(CC1)S(=O)(=O)[*:1]
O=C(CN1CCC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CN1CCC[NH+](CC1)Cc1ccccc1)N[*:1]
O=C(CN1CCC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)cc1F c1ccc(cc1)C[*:1] O=C(CN1CCC[NH+](CC1)[*:1])Nc1ccc(F)cc1F
O=C(CN1CCC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)cc1F c1ccc(cc1)[*:1] O=C(CN1CCC[NH+](CC1)C[*:1])Nc1ccc(F)cc1F
COC(=O)c1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)c1cccc(c1C)[N+](=O)[O-])[*:1]
COC(=O)c1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 O=[N+]([O-])[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)c1cccc(c1C)[*:1]
CC(C)c1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)cc1 C1CN(CCO1)CC[*:1] CC(C)c1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
CC(C)c1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)cc1 C1CN(CCO1)[*:1] CC(C)c1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC[*:1])CC(=O)N21
CC(C)c1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)cc1 C1CN(CCO1)C[*:1] CC(C)c1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)C[*:1]
CC(C)c1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)cc1 CC(C)c1ccc(cc1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](N2C(=O)CN1CCN1CCOCC1)[*:1]
CC(C)c1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)cc1 CC(C)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccc(cc3)[*:1])N2C(=O)CN1CCN1CCOCC1
CC(C)CNc1ccc(Cl)c(C#N)c1 CC(C)C[*:1] N#Cc1cc(ccc1Cl)N[*:1]
CC(C)CNc1ccc(Cl)c(C#N)c1 CC(C)[*:1] N#Cc1cc(ccc1Cl)NC[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCCC2)c1 CCN(CC)C(=O)[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])[NH+]1CCCC1
C[C@@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] C[C@@H]1CCCCN1C(=O)CN(C)S(=O)(=O)[*:1]
CC[C@@H](NC(=O)N(C)Cc1cccs1)c1cc(F)ccc1F c1csc(c1)C[*:1] CC[C@@H](NC(=O)N(C)[*:1])c1cc(F)ccc1F
CC[C@@H](NC(=O)N(C)Cc1cccs1)c1cc(F)ccc1F c1csc(c1)[*:1] CC[C@@H](NC(=O)N(C)C[*:1])c1cc(F)ccc1F
N#CCNC(=O)c1ccc(Br)nc1 N#CC[*:1] O=C(N[*:1])c1ccc(Br)nc1
Cc1ccn2nc(N[C@@H](C)c3cccs3)nc2c1 c1csc(c1)[*:1] Cc1ccn2nc(nc2c1)N[C@@H](C)[*:1]
Cc1ccccc1C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccccc1C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 Cc1ccccc1[*:1] O=C(N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccccc1C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] Cc1ccccc1C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C=CCNC(=O)Nc1ccc(NCc2cn(C)nc2-c2ccccc2)cc1 C=CCNC(=O)N[*:1] Cn1cc(CNc2ccc(cc2)[*:1])c(n1)-c1ccccc1
C=CCNC(=O)Nc1ccc(NCc2cn(C)nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] C=CCNC(=O)Nc1ccc(cc1)NCc1cn(C)nc1[*:1]
C=CCNC(=O)Nc1ccc(NCc2cn(C)nc2-c2ccccc2)cc1 C=CC[*:1] Cn1cc(CNc2ccc(cc2)NC(=O)N[*:1])c(n1)-c1ccccc1
Nc1nc(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cs1 Nc1nc(cs1)C[*:1] O=C(NC[*:1])c1ccc(cc1)C[NH+]1CCCCC1
Nc1nc(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cs1 Nc1nc(cs1)CC[*:1] O=C(N[*:1])c1ccc(cc1)C[NH+]1CCCCC1
Nc1nc(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cs1 Nc1nc(cs1)[*:1] O=C(NCC[*:1])c1ccc(cc1)C[NH+]1CCCCC1
CC(C)C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccn1 c1cnnc(c1)[*:1] CC(C)C[C@@H]([NH2+][C@H]1CCCN(C1)[*:1])c1ccccn1
CC(C)C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccn1 CC(C)[*:1] c1ccc(nc1)[C@@H](C[*:1])[NH2+][C@H]1CCCN(C1)c1cccnn1
CC(C)C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccn1 CC(C)C[*:1] c1ccc(nc1)[C@H]([NH2+][C@H]1CCCN(C1)c1cccnn1)[*:1]
CC(C)C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)C[C@@H]([NH2+][C@H]1CCCN(C1)c1cccnn1)[*:1]
CC[C@H](C)Oc1cccc(NC(=O)C(=O)N[C@@H](C)CO)c1 CC[C@H](C)[*:1] C[C@@H](CO)NC(=O)C(=O)Nc1cccc(c1)O[*:1]
CC[C@H](C)Oc1cccc(NC(=O)C(=O)N[C@@H](C)CO)c1 C[C@@H](CO)[*:1] CC[C@H](C)Oc1cccc(c1)NC(=O)C(=O)N[*:1]
CC[C@H](C)Oc1cccc(NC(=O)C(=O)N[C@@H](C)CO)c1 CC[C@H](C)O[*:1] C[C@@H](CO)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CCn1cc([C@@H](C)[NH2+]Cc2cc(-c3ccc(F)cc3)n[nH]2)c(C)n1 CCn1cc(c(C)n1)[*:1] C[C@@H]([NH2+]Cc1cc(n[nH]1)-c1ccc(F)cc1)[*:1]
CCn1cc([C@@H](C)[NH2+]Cc2cc(-c3ccc(F)cc3)n[nH]2)c(C)n1 Fc1ccc(cc1)[*:1] CCn1cc(c(C)n1)[C@@H](C)[NH2+]Cc1cc(n[nH]1)[*:1]
CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C[C@@H](C)C#N c1ccc(cc1)[*:1] CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1[*:1])C[C@@H](C)C#N
CN(Cc1cnc(-c2ccccn2)s1)[C@H]1[C@H]2CCO[C@@H]2C1(C)C c1ccc(nc1)[*:1] CN(Cc1cnc(s1)[*:1])[C@H]1[C@H]2CCO[C@@H]2C1(C)C
O=C(COc1ccccc1)Nc1nn2c(-c3cccc(Cl)c3)nnc2s1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1nn2c(nnc2s1)-c1cccc(Cl)c1
O=C(COc1ccccc1)Nc1nn2c(-c3cccc(Cl)c3)nnc2s1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1nn2c(nnc2s1)-c1cccc(Cl)c1
O=C(COc1ccccc1)Nc1nn2c(-c3cccc(Cl)c3)nnc2s1 c1ccc(cc1)OC[*:1] O=C(Nc1nn2c(nnc2s1)-c1cccc(Cl)c1)[*:1]
O=C(COc1ccccc1)Nc1nn2c(-c3cccc(Cl)c3)nnc2s1 Clc1cccc(c1)[*:1] O=C(COc1ccccc1)Nc1nn2c(nnc2s1)[*:1]
CC(C)(C)[NH2+]C[C@]1(Cc2cc(F)cc(Br)c2)CCOC1 CC(C)(C)[*:1] Fc1cc(Br)cc(c1)C[C@]1(CCOC1)C[NH2+][*:1]
C#CCOc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)ccc1OC C#CCO[*:1] COc1ccc(cc1[*:1])[C@H]1CC(O)=Nc2c1ncn2-c1ccc(F)cc1
C#CCOc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)ccc1OC Fc1ccc(cc1)[*:1] C#CCOc1cc(ccc1OC)[C@H]1CC(O)=Nc2c1ncn2[*:1]
C#CCOc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)ccc1OC C#CC[*:1] COc1ccc(cc1O[*:1])[C@H]1CC(O)=Nc2c1ncn2-c1ccc(F)cc1
CCc1nnc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)s1 CCc1nnc(s1)[*:1] Cc1c(nc2ccccc2c1C(=O)N[*:1])-c1ccccc1
CCc1nnc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)s1 c1ccc(cc1)[*:1] CCc1nnc(NC(=O)c2c(C)c(nc3ccccc23)[*:1])s1
Cc1[nH+]c[nH]c1CN1CCn2nc(C[NH+](C)Cc3ccc4c(c3)OCO4)cc2C1 c1cc2OCOc2cc1[*:1] Cc1[nH+]c[nH]c1CN1CCn2nc(cc2C1)C[NH+](C)C[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)CCC(C)(C)C CC(C)(C)CC[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)CCC(C)(C)C CC(C)(C)C[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)C[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)CCC(C)(C)C CC(C)(C)[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)CC[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)CCC(C)(C)C CC(C)[*:1] CC(C)(C)CCC(=O)NCCn1c(n[nH]c1=S)[*:1]
CCc1cc([C@@H]2CCCN2C(=O)NCc2cccc(OC)c2)on1 COc1cccc(c1)[*:1] CCc1cc(on1)[C@@H]1CCCN1C(=O)NC[*:1]
CCc1cc([C@@H]2CCCN2C(=O)NCc2cccc(OC)c2)on1 CCc1cc(on1)[*:1] COc1cccc(c1)CNC(=O)N1CCC[C@H]1[*:1]
[NH3+][C@H](C(=O)[O-])c1c(F)cc(I)cc1F O=C([O-])[*:1] [NH3+][C@H](c1c(F)cc(I)cc1F)[*:1]
COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)c1 FC(F)(F)[*:1] COc1ccc(OC)c(c1)C1C[C@H](ON=1)C(=O)Nc1ccccc1[*:1]
Cc1ccc([O-])c(CN2CC[NH+](Cc3noc(C)n3)CC2)[nH+]1 Cc1nc(C[*:1])no1 Cc1ccc([O-])c(CN2CC[NH+](CC2)[*:1])[nH+]1
Cc1ccc([O-])c(CN2CC[NH+](Cc3noc(C)n3)CC2)[nH+]1 Cc1nc(no1)[*:1] Cc1ccc([O-])c(CN2CC[NH+](CC2)C[*:1])[nH+]1
Cc1ccc(CC(=O)NC[C@H]2CCC(C)(C)c3ccccc32)cn1 Cc1ccc(cn1)C[*:1] CC1(C)CC[C@H](CNC(=O)[*:1])c2ccccc21
Cc1ccc(CC(=O)NC[C@H]2CCC(C)(C)c3ccccc32)cn1 Cc1ccc(cn1)[*:1] CC1(C)CC[C@H](CNC(=O)C[*:1])c2ccccc21
COC(=O)[C@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)[*:1]
COC(=O)[C@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)Cc1c[nH]c2ccc(F)cc12)[*:1]
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)n1 Clc1ccccc1[*:1] Cc1ccc(C(=O)N[C@@H]2CCN(C2=O)[*:1])c(C)n1
Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)n1 Cc1ccc(c(C)n1)[*:1] O=C1[C@@H](CCN1c1ccccc1Cl)NC(=O)[*:1]
Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)[C@@H](NC(=O)c1ccco1)N[*:1]
Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc(Cl)cc2)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)C(=O)[C@@H](Nc1ccc(Cl)cc1)[*:1]
Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc(Cl)cc2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C(=O)[C@@H](NC(=O)[*:1])Nc1ccc(Cl)cc1
Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)N[*:1] Cc1ccc(cc1)C(=O)[C@@H](NC(=O)c1ccco1)[*:1]
Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@@H](Nc1ccc(Cl)cc1)C(=O)[*:1])c1ccco1
C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cnn(C)c1 C[C@H](c1cnn(C)c1)[*:1] CN1CCC(CC1)(CNC(=O)N[*:1])[NH+]1CCCCC1
C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)NCC1(CCN(C)CC1)[NH+]1CCCCC1)[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C[C@H](O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)C[C@H](O)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3ccoc3)CC2)CC1 c1cc(co1)[*:1] CC(C)[C@H](C#N)N1CCN(CC1)C(=O)CN1CCN(CC1)C(=O)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3ccoc3)CC2)CC1 CC(C)[*:1] N#C[C@H](N1CCN(CC1)C(=O)CN1CCN(CC1)C(=O)c1ccoc1)[*:1]
COC(=O)c1cc(COc2cccc(CC(N)=O)c2)c(C)s1 NC(=O)[*:1] COC(=O)c1cc(COc2cccc(c2)C[*:1])c(C)s1
COC(=O)c1cc(COc2cccc(CC(N)=O)c2)c(C)s1 NC(=O)C[*:1] COC(=O)c1cc(COc2cccc(c2)[*:1])c(C)s1
COC(=O)c1cc(COc2cccc(CC(N)=O)c2)c(C)s1 COC(=O)[*:1] Cc1sc(cc1COc1cccc(c1)CC(N)=O)[*:1]
Cc1cccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2[N+](=O)[O-])n1 Cc1cccc(n1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccc(F)c(F)c1
Cc1cccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1cccc(n1)Nc1ncnc(Nc2ccc(F)c(F)c2)c1[*:1]
Cc1cccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2[N+](=O)[O-])n1 Fc1ccc(cc1F)[*:1] Cc1cccc(n1)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
Cc1cccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2[N+](=O)[O-])n1 Cc1cccc(n1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1ccc(F)c(F)c1
NC(=O)[C@@H](Nc1ccc(Cl)c(Br)c1)[C@H]1CC=CCC1 NC(=O)[*:1] Clc1ccc(cc1Br)N[C@@H]([C@H]1CC=CCC1)[*:1]
Cc1cc(F)ccc1CCNC(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 Cc1cc(F)ccc1C[*:1] O=C(NC[*:1])N[C@H](CO)Cc1c[nH]c2ccccc12
Cc1cc(F)ccc1CCNC(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 Cc1cc(F)ccc1[*:1] O=C(NCC[*:1])N[C@H](CO)Cc1c[nH]c2ccccc12
Cc1cc(F)ccc1CCNC(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cc1cc(F)ccc1CCNC(=O)N[C@H](CO)C[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 CCc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)[C@@H]1Cc2cc(Cl)ccc2O1
CCNc1nc(N(CC)n2cnnc2)nc(NC(C)(C)C)[nH+]1 CC(C)(C)N[*:1] CCNc1nc(nc([nH+]1)[*:1])N(CC)n1cnnc1
CCNc1nc(N(CC)n2cnnc2)nc(NC(C)(C)C)[nH+]1 CCN[*:1] CCN(c1nc(NC(C)(C)C)[nH+]c(n1)[*:1])n1cnnc1
CCNc1nc(N(CC)n2cnnc2)nc(NC(C)(C)C)[nH+]1 CC(C)(C)[*:1] CCNc1nc(nc(N[*:1])[nH+]1)N(CC)n1cnnc1
Fc1ccccc1C1(CCCOc2ccccc2)C[NH2+]C1 c1ccc(cc1)[*:1] Fc1ccccc1C1(CCCO[*:1])C[NH2+]C1
Fc1ccccc1C1(CCCOc2ccccc2)C[NH2+]C1 c1ccc(cc1)O[*:1] Fc1ccccc1C1(CCC[*:1])C[NH2+]C1
Fc1ccccc1C1(CCCOc2ccccc2)C[NH2+]C1 Fc1ccccc1[*:1] c1ccc(cc1)OCCCC1(C[NH2+]C1)[*:1]
Cc1nc(-c2c[nH]c(C(=O)Nc3cn[nH]c3)c2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1cn[nH]c1)c1cc(c[nH]1)[*:1]
Cc1nc(-c2c[nH]c(C(=O)Nc3cn[nH]c3)c2)cs1 c1n[nH]cc1[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N[*:1]
CN(C[C@H]1CCCO1)C(=O)N[C@H]1CCC[C@H](C2CC2)C1 C1CO[C@H](C1)C[*:1] CN(C(=O)N[C@H]1CCC[C@@H](C1)C1CC1)[*:1]
CN(C[C@H]1CCCO1)C(=O)N[C@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] CN(C[C@H]1CCCO1)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
CN(C[C@H]1CCCO1)C(=O)N[C@H]1CCC[C@H](C2CC2)C1 C1CO[C@H](C1)[*:1] CN(C[*:1])C(=O)N[C@H]1CCC[C@@H](C1)C1CC1
O=C(Nc1cccc(CC[NH+]2CCCC2)c1)N1CC[NH+](C2CC2)CC1 C1CC1[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)N1CC[NH+](CC1)[*:1]
CC(C)Nc1cccc(CNC(=O)Cc2cccc(O)c2)c1 CC(C)[*:1] O=C(Cc1cccc(O)c1)NCc1cccc(c1)N[*:1]
CC(C)Nc1cccc(CNC(=O)Cc2cccc(O)c2)c1 Oc1cccc(c1)[*:1] CC(C)Nc1cccc(c1)CNC(=O)C[*:1]
CC(C)Nc1cccc(CNC(=O)Cc2cccc(O)c2)c1 CC(C)N[*:1] O=C(Cc1cccc(O)c1)NCc1cccc(c1)[*:1]
OC[C@@H](CCSc1ccncc1)[NH2+]C1CC1 C1CC1[*:1] OC[C@@H](CCSc1ccncc1)[NH2+][*:1]
CC[C@H]1C(=O)NCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC[C@H]1C(=O)NCCN1C(=O)/C=C/c1ccc(cc1)[*:1]
COc1cccc(-c2nc(CSCCSC)cs2)c1 CSCCS[*:1] COc1cccc(c1)-c1nc(cs1)C[*:1]
COc1cccc(-c2nc(CSCCSC)cs2)c1 CSCC[*:1] COc1cccc(c1)-c1nc(cs1)CS[*:1]
COc1cccc(-c2nc(CSCCSC)cs2)c1 CSC[*:1] COc1cccc(c1)-c1nc(cs1)CSC[*:1]
COc1cccc(-c2nc(CSCCSC)cs2)c1 CSCCSC[*:1] COc1cccc(c1)-c1nc(cs1)[*:1]
COc1ccc(C)cc1C(=O)c1ncc[nH]1 c1c[nH]c(n1)[*:1] COc1ccc(C)cc1C(=O)[*:1]
O=C(NCc1ccc(-n2ccnc2)c(F)c1)C1CC=CC1 c1cn(cn1)[*:1] O=C(NCc1ccc(c(F)c1)[*:1])C1CC=CC1
C[C@@H]1C[C@@H](C)CN(C2=NC([O-])=C3C(=NC(=O)[C@H](C#N)[C@@H]3c3c[nH]c4ccccc34)N2)C1 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C1=NC([O-])=C2C(=NC(=O)[C@H](C#N)[C@H]2[*:1])N1
COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)ccc1F CC(C)(C)[*:1] COC(=O)c1cc(ccc1F)NC(=O)c1cc(nc2c1c(C)nn2[*:1])C1CC1
COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)ccc1F COC(=O)[*:1] Cc1nn(c2nc(cc(C(=O)Nc3ccc(F)c(c3)[*:1])c12)C1CC1)C(C)(C)C
COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)ccc1F C1CC1[*:1] COC(=O)c1cc(ccc1F)NC(=O)c1cc(nc2c1c(C)nn2C(C)(C)C)[*:1]
CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(OC)cc2)S1 COc1ccc(cc1)[*:1] CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)C(=N[*:1])S1
CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(OC)cc2)S1 CCNC(=O)[*:1] COC(=O)CN1C(=O)C[C@H](S/C1=N\c1ccc(cc1)OC)[*:1]
CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(OC)cc2)S1 COC(=O)[*:1] CCNC(=O)[C@@H]1CC(=O)N(C[*:1])/C(=N/c2ccc(cc2)OC)S1
CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(OC)cc2)S1 COC(=O)C[*:1] CCNC(=O)[C@@H]1CC(=O)N(/C(=N/c2ccc(cc2)OC)S1)[*:1]
Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(cc1)NC(=O)N[*:1]
Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(NC(=O)NC2CC2)cc1 Cc1cc(Cl)ccc1[*:1] O=C(Nc1ccc(cc1)NS(=O)(=O)[*:1])NC1CC1
Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(cc1)[*:1]
O=C(Cc1ccc(-c2csc(Nc3ccccc3)n2)s1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(Cc1ccc(s1)-c1csc(n1)N[*:1])N1CCOCC1
O=C(Cc1ccc(-c2csc(Nc3ccccc3)n2)s1)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1ccc(cc1)Nc1nc(cs1)-c1ccc(C[*:1])s1
O=C(Cc1ccc(-c2csc(Nc3ccccc3)n2)s1)N1CCOCC1 c1ccc(cc1)N[*:1] O=C(Cc1ccc(s1)-c1csc(n1)[*:1])N1CCOCC1
COc1cc2nc(C[NH+](C)Cc3ccc(SC)cc3)[nH]c(=O)c2cc1OC CSc1ccc(cc1)[*:1] COc1cc2nc(C[NH+](C)C[*:1])[nH]c(=O)c2cc1OC
COc1cc2nc(C[NH+](C)Cc3ccc(SC)cc3)[nH]c(=O)c2cc1OC CSc1ccc(cc1)C[*:1] COc1cc2nc(C[NH+](C)[*:1])[nH]c(=O)c2cc1OC
CCOc1ccc(NC(=O)NCc2cc(F)cc(OC)c2)c(C)c1 CCO[*:1] COc1cc(F)cc(c1)CNC(=O)Nc1ccc(cc1C)[*:1]
CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1nnc(s1)[*:1]
CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1nnc(C(F)(F)F)s1 CCCC[*:1] O=C(Nc1nnc(s1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H]1[*:1]
CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1nnc(C(F)(F)F)s1 CCC[*:1] O=C(Nc1nnc(s1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H]1C[*:1]
C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(Br)cc1 C1CC1[*:1] C[C@@H](Sc1nnc(n1-c1ccccc1)[*:1])C(=O)c1ccc(Br)cc1
C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(Br)cc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1[*:1])C(=O)c1ccc(Br)cc1
C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc2ccccc2c1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)c1ccc2ccccc2c1)[*:1]
CC[C@@H](N[C@H]1CCCOc2c1ccc1ccccc21)C(N)=O NC(=O)[*:1] CC[C@@H](N[C@H]1CCCOc2c1ccc1ccccc21)[*:1]
CC[C@@H](N[C@H]1CCCOc2c1ccc1ccccc21)C(N)=O CC[C@@H](C(N)=O)[*:1] c1ccc2c3OCCC[C@H](N[*:1])c3ccc2c1
CC[C@@H](N[C@H]1CCCOc2c1ccc1ccccc21)C(N)=O CC[C@@H](N[*:1])C(N)=O c1ccc2c3OCCC[C@@H](c3ccc2c1)[*:1]
Cc1cc(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)ccc1F C1CC1[*:1] Cc1cc(ccc1F)CNC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CCc1c(C)nc2n(c1=O)CN(CCO)CN2c1ccc(C)cc1 OCC[*:1] CCc1c(C)nc2N(CN(Cn2c1=O)[*:1])c1ccc(C)cc1
CCc1c(C)nc2n(c1=O)CN(CCO)CN2c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1c(C)nc2N(CN(CCO)Cn2c1=O)[*:1]
CC(C)Nc1cc2ccccc2cc1C(=O)[O-] CC(C)N[*:1] O=C([O-])c1cc2ccccc2cc1[*:1]
CC(C)Nc1cc2ccccc2cc1C(=O)[O-] CC(C)[*:1] O=C([O-])c1cc2ccccc2cc1N[*:1]
CC(C)Nc1cc2ccccc2cc1C(=O)[O-] O=C([O-])[*:1] CC(C)Nc1cc2ccccc2cc1[*:1]
CC(C)n1cnnc1SCC(=O)NCC1(c2cccc(Cl)c2)CCCC1 CC(C)n1cnnc1[*:1] O=C(CS[*:1])NCC1(CCCC1)c1cccc(Cl)c1
CC(C)n1cnnc1SCC(=O)NCC1(c2cccc(Cl)c2)CCCC1 Clc1cccc(c1)[*:1] CC(C)n1cnnc1SCC(=O)NCC1(CCCC1)[*:1]
CC(C)n1cnnc1SCC(=O)NCC1(c2cccc(Cl)c2)CCCC1 CC(C)[*:1] O=C(CSc1nncn1[*:1])NCC1(CCCC1)c1cccc(Cl)c1
CCn1c(=O)c(C(=O)NCc2ccccc2)cc2cccnc21 c1ccc(cc1)C[*:1] CCn1c(=O)c(cc2cccnc21)C(=O)N[*:1]
CCn1c(=O)c(C(=O)NCc2ccccc2)cc2cccnc21 c1ccc(cc1)[*:1] CCn1c(=O)c(cc2cccnc21)C(=O)NC[*:1]
O=C([O-])c1cc(N/N=C/C2=c3ccccc3=[NH+]C2)ccc1Cl O=C([O-])[*:1] Clc1ccc(cc1[*:1])N/N=C/C1C[NH+]=c2ccccc2=1
COc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1 COc1ccc(cc1)[*:1] C(=NOCc1nc2c3c4CCCCCc4sc3ncn2n1)[*:1]
Cc1ccc([C@@H](C)NC(=O)c2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)[*:1]
N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)c1 FC(F)(F)[*:1] N#Cc1cccc(c1)[N-]S(=O)(=O)c1ccc(s1)-c1cc(n[nH]1)[*:1]
N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)c1 N#Cc1cccc(c1)[*:1] O=S(=O)([N-][*:1])c1ccc(s1)-c1cc(n[nH]1)C(F)(F)F
COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1[*:1])C(=O)NC1CCCCCC1
COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CCOCC1 C1CCCC(CC1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc[nH]c3=S)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NNc1ccc(cc1)S(=O)(=O)[*:1])c1ccc[nH]c1=S
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc[nH]c3=S)cc2)cc1 S=c1[nH]cccc1[*:1] Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NNC(=O)[*:1]
CCCSc1ncc(Cl)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 CCCS[*:1] Cc1c(NC(=O)c2nc(ncc2Cl)[*:1])c(=O)n(-c2ccccc2)n1C
CCCSc1ncc(Cl)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 c1ccc(cc1)[*:1] CCCSc1ncc(Cl)c(n1)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
CCCSc1ncc(Cl)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 CCC[*:1] Cc1c(NC(=O)c2nc(ncc2Cl)S[*:1])c(=O)n(-c2ccccc2)n1C
COc1cc(OC)c(NC(=O)OCc2ccncc2)cc1Cl c1cc(ccn1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)OC[*:1]
COc1cc(OC)c(NC(=O)OCc2ccncc2)cc1Cl c1cc(ccn1)C[*:1] COc1cc(OC)c(cc1Cl)NC(=O)O[*:1]
CC1=C(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)C[C@H](C)N1C Brc1ccc(cc1)[*:1] CC1=C(C[C@H](C)N1C)C(=O)CSc1nc(n[nH]1)[*:1]
C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 Fc1ccc(cc1)[*:1] C[C@@H](CC(=O)N[*:1])[NH2+]C[C@@H]1CCN(C1)S(C)(=O)=O
Cc1ccccc1N1C(=O)N(Cc2cc(=O)n3ccccc3n2)c2ccccc2S1(=O)=O Cc1ccccc1[*:1] O=C1N(Cc2cc(=O)n3ccccc3n2)c2ccccc2S(=O)(=O)N1[*:1]
C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2CCC[C@H](O)C2)([NH+](C)C)C1 O[C@H]1CCC[C@H](C1)[*:1] C[C@@H]1CCC[C@](CNC(=O)NC[*:1])(C1)[NH+](C)C
COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)/C=C/C2CC2)c1 O=C(/C=C/C1CC1)N[*:1] COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(c1)[*:1]
COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)/C=C/C2CC2)c1 COC(=O)[*:1] O=C(/C=C/C1CC1)Nc1cccc(c1)C(=O)N1CCCC[C@H]1[*:1]
COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)/C=C/C2CC2)c1 C(=C[*:1])C1CC1 COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(c1)NC(=O)[*:1]
COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)/C=C/C2CC2)c1 C1CC1[*:1] COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(c1)NC(=O)C=C[*:1]
Cc1nc2c(c(C)c1CCC(=O)N[C@H](C)C1CCCCC1)c(=O)[nH]n2C C[C@H](C1CCCCC1)[*:1] Cc1nc2c(c(C)c1CCC(=O)N[*:1])c(=O)[nH]n2C
Cc1nc2c(c(C)c1CCC(=O)N[C@H](C)C1CCCCC1)c(=O)[nH]n2C C1CCC(CC1)[*:1] Cc1nc2c(c(C)c1CCC(=O)N[C@H](C)[*:1])c(=O)[nH]n2C
O=C(NCC(F)F)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] O=C(NCC(F)F)c1cnc(cn1)O[*:1]
O=C(NCC(F)F)c1cnc(Oc2ccccc2)cn1 FC(F)C[*:1] O=C(N[*:1])c1cnc(cn1)Oc1ccccc1
O=C(NCC(F)F)c1cnc(Oc2ccccc2)cn1 FC(F)[*:1] O=C(NC[*:1])c1cnc(cn1)Oc1ccccc1
NC(=O)c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 NC(=O)[*:1] O=S(=O)(Nc1cccc(c1)[*:1])c1cccc(Cl)c1Cl
CCc1cccc(C)c1NC(=S)NNC(=O)C1CCCC1 C1CCC(C1)[*:1] CCc1cccc(C)c1NC(=S)NNC(=O)[*:1]
CS(=O)(=O)c1ccc(C(=O)[O-])o1 O=C([O-])[*:1] CS(=O)(=O)c1ccc(o1)[*:1]
CS(=O)(=O)c1ccc(C(=O)[O-])o1 CS(=O)(=O)[*:1] O=C([O-])c1ccc(o1)[*:1]
CCOC(=O)c1sc2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)[nH]c(=O)c2c1C CCOC(=O)[*:1] Cc1c(sc2nc(CN3CCN(CC3)c3cccc(c3)C(F)(F)F)[nH]c(=O)c12)[*:1]
CCOC(=O)c1sc2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)[nH]c(=O)c2c1C FC(F)(F)[*:1] CCOC(=O)c1sc2nc(CN3CCN(CC3)c3cccc(c3)[*:1])[nH]c(=O)c2c1C
CCOC(=O)c1sc2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)[nH]c(=O)c2c1C FC(F)(F)c1cccc(c1)[*:1] CCOC(=O)c1sc2nc(CN3CCN(CC3)[*:1])[nH]c(=O)c2c1C
CN(C)c1ccc(C(=O)Nc2ccc(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)nc2)cc1 CN(C)[*:1] O=C(Nc1ccc(nc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc(cc1)[*:1]
CN(C)c1ccc(C(=O)Nc2ccc(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)nc2)cc1 CN(C)c1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)[*:1]
Cc1ccccc1-n1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)CS(=O)(=O)C2 Cc1ccccc1[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1[*:1])c1cc(Cl)ccc1Cl
Cc1ccccc1-n1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)CS(=O)(=O)C2 Clc1ccc(Cl)c(c1)[*:1] Cc1ccccc1-n1nc2CS(=O)(=O)Cc2c1NC(=O)[*:1]
Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]Cc1cccnc1 C1CCCN(CCC1)[*:1] Cc1nc(ncc1[C@@H](C)[NH2+]Cc1cccnc1)[*:1]
Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]Cc1cccnc1 c1cncc(c1)[*:1] Cc1nc(ncc1[C@@H](C)[NH2+]C[*:1])N1CCCCCCC1
Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]Cc1cccnc1 c1cncc(c1)C[*:1] Cc1nc(ncc1[C@@H](C)[NH2+][*:1])N1CCCCCCC1
O=C([C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1)N1CCN(C/C=C/c2ccccc2)CC1 c1cnn(c1)-c1ccc(nn1)[*:1] O=C([C@H]1CCCN(C1)[*:1])N1CCN(C/C=C/c2ccccc2)CC1
O=C([C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1)N1CCN(C/C=C/c2ccccc2)CC1 c1cnn(c1)[*:1] O=C([C@H]1CCCN(C1)c1ccc(nn1)[*:1])N1CCN(C/C=C/c2ccccc2)CC1
O=C([C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1)N1CCN(C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C([C@H]1CCCN(C1)c1ccc(nn1)-n1cccn1)N1CCN(CC1)C[*:1]
O=C([C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1)N1CCN(C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)c1ccc(nn1)-n1cccn1)N1CCN(CC=C[*:1])CC1
O=C([C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1)N1CCN(C/C=C/c2ccccc2)CC1 C(=C/c1ccccc1)\C[*:1] O=C([C@H]1CCCN(C1)c1ccc(nn1)-n1cccn1)N1CCN(CC1)[*:1]
O=C(/C=C/C1CC1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 C(=C[*:1])C1CC1 O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1)[*:1]
O=C(/C=C/C1CC1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 C1CCN(C1)[*:1] O=C(/C=C/C1CC1)N[C@H]1CS(=O)(=O)C[C@H]1[*:1]
O=C(/C=C/C1CC1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 C1CC1[*:1] O=C(C=C[*:1])N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1
CC(C)[NH+](CCCNc1c(C#N)c(=O)n(C)c(=O)n1C)C(C)C CC(C)[*:1] CC(C)[NH+](CCCNc1c(C#N)c(=O)n(C)c(=O)n1C)[*:1]
O=C(Cn1ncc(Cl)c(Cl)c1=O)NCCOc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cn1ncc(Cl)c(Cl)c1=O)NCCO[*:1]
CC[C@@H](C)NC(=O)COC(=O)c1ccccc1I CC[C@@H](C)[*:1] O=C(COC(=O)c1ccccc1I)N[*:1]
Cc1cc(C[NH+]2CCC2(C)C)ccc1-n1cncn1 c1ncn(n1)[*:1] Cc1cc(ccc1[*:1])C[NH+]1CCC1(C)C
Cc1c(Cl)cccc1-n1c(SCC(=O)NC2CC2)nc2ccccc2c1=O Cc1c(Cl)cccc1[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])NC1CC1
Cc1c(Cl)cccc1-n1c(SCC(=O)NC2CC2)nc2ccccc2c1=O C1CC1[*:1] Cc1c(Cl)cccc1-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
Cc1c(Cl)cccc1-n1c(SCC(=O)NC2CC2)nc2ccccc2c1=O O=C(C[*:1])NC1CC1 Cc1c(Cl)cccc1-n1c(nc2ccccc2c1=O)S[*:1]
Cc1c(Cl)cccc1-n1c(SCC(=O)NC2CC2)nc2ccccc2c1=O O=C(CS[*:1])NC1CC1 Cc1c(Cl)cccc1-n1c(nc2ccccc2c1=O)[*:1]
Cc1c(Cl)cccc1-n1c(SCC(=O)NC2CC2)nc2ccccc2c1=O O=C(NC1CC1)[*:1] Cc1c(Cl)cccc1-n1c(nc2ccccc2c1=O)SC[*:1]
COC[C@H](NCc1ccccc1C)c1ccc(F)c(F)c1 COC[*:1] Cc1ccccc1CN[C@H](c1ccc(F)c(F)c1)[*:1]
COC[C@H](NCc1ccccc1C)c1ccc(F)c(F)c1 Cc1ccccc1[*:1] COC[C@H](NC[*:1])c1ccc(F)c(F)c1
CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1 CS(=O)(=O)[*:1] CC(=O)N[C@H](CC[*:1])C(=O)Nc1ccc(F)cc1
CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1 CS(=O)(=O)CC[*:1] CC(=O)N[C@H](C(=O)Nc1ccc(F)cc1)[*:1]
CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1 CC(=O)N[*:1] CS(=O)(=O)CC[C@H](C(=O)Nc1ccc(F)cc1)[*:1]
CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[*:1]
CC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1 CS(=O)(=O)C[*:1] CC(=O)N[C@H](C[*:1])C(=O)Nc1ccc(F)cc1
CCNC(=O)[C@@H](CC)Oc1ccccc1 CCNC(=O)[*:1] CC[C@@H](Oc1ccccc1)[*:1]
O=C(CCCCl)Nc1nc2c(Cl)cc(Cl)cc2s1 ClCC[*:1] O=C(C[*:1])Nc1nc2c(Cl)cc(Cl)cc2s1
O=C(CCCCl)Nc1nc2c(Cl)cc(Cl)cc2s1 ClCCC[*:1] O=C(Nc1nc2c(Cl)cc(Cl)cc2s1)[*:1]
O=C(COc1ccc(F)cc1)NC[C@@H](O)c1ccoc1 c1cc(co1)[*:1] O=C(COc1ccc(F)cc1)NC[C@@H](O)[*:1]
CCN(Cc1ccccc1Cl)C(=O)C[C@H](NC(N)=O)c1ccccc1C NC(=O)N[*:1] CCN(Cc1ccccc1Cl)C(=O)C[C@H](c1ccccc1C)[*:1]
CCN(Cc1ccccc1Cl)C(=O)C[C@H](NC(N)=O)c1ccccc1C Clc1ccccc1[*:1] CCN(C[*:1])C(=O)C[C@H](NC(N)=O)c1ccccc1C
CCN(Cc1ccccc1Cl)C(=O)C[C@H](NC(N)=O)c1ccccc1C Cc1ccccc1[*:1] CCN(Cc1ccccc1Cl)C(=O)C[C@H](NC(N)=O)[*:1]
CCN(Cc1ccccc1Cl)C(=O)C[C@H](NC(N)=O)c1ccccc1C Clc1ccccc1C[*:1] CCN(C(=O)C[C@H](NC(N)=O)c1ccccc1C)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](Sc2ccc(N)c(Cl)c2)C1 CS(=O)(=O)[*:1] Nc1ccc(cc1Cl)S[C@H]1CCC[C@@H](C1)[*:1]
Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1cccc(c1)[*:1]
Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1cccc(c1)C[*:1]
Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1cccc(Cn2cccn2)c1 Cc1cccc(C)c1[*:1] C[C@@H](Nc1cccc(c1)Cn1cccn1)C(=O)N[*:1]
O=C(c1ccccc1)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 O=S(=O)(C(F)(F)F)[*:1] O=C(c1ccccc1)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
O=C(c1ccccc1)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] O=C(c1ccccc1)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)[*:1]
O=C(c1ccccc1)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1ccccc1)N1CCN(CC1)c1ccc(cc1[*:1])S(=O)(=O)C(F)(F)F
O=C(c1ccccc1)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 c1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C(F)(F)F)[*:1]
Cn1c(CNC(=O)c2ccc(Cl)o2)nc2ccccc21 Clc1ccc(o1)[*:1] Cn1c(CNC(=O)[*:1])nc2ccccc21
CC[NH2+]Cc1sc(N2CCCC2)nc1Cl C1CCN(C1)[*:1] CC[NH2+]Cc1sc(nc1Cl)[*:1]
C[C@@H]1CCN(C(=O)c2cnc(Oc3ccccc3)cn2)C[C@H]1O c1ccc(cc1)O[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1cnc(cn1)[*:1]
C[C@@H]1CCN(C(=O)c2cnc(Oc3ccccc3)cn2)C[C@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1cnc(cn1)O[*:1]
CCc1ccc(CNC(=O)CCC(=O)N2CCOCC2)s1 CCc1ccc(s1)[*:1] O=C(CCC(=O)N1CCOCC1)NC[*:1]
COCCc1noc(-c2ccnc(Cl)c2)n1 COC[*:1] Clc1cc(ccn1)-c1nc(C[*:1])no1
COCCc1noc(-c2ccnc(Cl)c2)n1 COCC[*:1] Clc1cc(ccn1)-c1nc(no1)[*:1]
O=C(CSc1ccccc1C(=O)[O-])NCc1ccc(Cl)cc1 O=C([O-])[*:1] O=C(CSc1ccccc1[*:1])NCc1ccc(Cl)cc1
O=C(CSc1ccccc1C(=O)[O-])NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1ccccc1C(=O)[O-])NC[*:1]
CCNC(=O)CNC(=O)N[C@H](CC)c1ccc(C)cc1 CCNC(=O)[*:1] CC[C@@H](NC(=O)NC[*:1])c1ccc(C)cc1
CCNC(=O)CNC(=O)N[C@H](CC)c1ccc(C)cc1 CCNC(=O)C[*:1] CC[C@@H](NC(=O)N[*:1])c1ccc(C)cc1
CC(C)C[C@@H]1COCCN1C(=O)NCc1nnc2n1CCC2 CC(C)C[*:1] O=C(NCc1nnc2CCCn21)N1CCOC[C@H]1[*:1]
CC(C)C[C@@H]1COCCN1C(=O)NCc1nnc2n1CCC2 CC(C)[*:1] O=C(NCc1nnc2CCCn21)N1CCOC[C@H]1C[*:1]
COc1ccc(NC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] COc1cc(OC)c2c(C)c(CC(=O)N[*:1])c(=O)oc2c1
O=C(/C=C/C1CC1)NCCc1c[nH]c2cc(F)ccc12 C(=C[*:1])C1CC1 O=C(NCCc1c[nH]c2cc(F)ccc12)[*:1]
O=C(/C=C/C1CC1)NCCc1c[nH]c2cc(F)ccc12 C1CC1[*:1] O=C(C=C[*:1])NCCc1c[nH]c2cc(F)ccc12
COc1ccc(CN2CCN(CC(=O)NC(C)C)CC2)cc1[N+](=O)[O-] CC(C)NC(=O)C[*:1] COc1ccc(cc1[N+](=O)[O-])CN1CCN(CC1)[*:1]
COc1ccc(CN2CCN(CC(=O)NC(C)C)CC2)cc1[N+](=O)[O-] CC(C)[*:1] COc1ccc(cc1[N+](=O)[O-])CN1CCN(CC1)CC(=O)N[*:1]
COc1ccc(CN2CCN(CC(=O)NC(C)C)CC2)cc1[N+](=O)[O-] CC(C)NC(=O)[*:1] COc1ccc(cc1[N+](=O)[O-])CN1CCN(CC1)C[*:1]
COc1ccc(CN2CCN(CC(=O)NC(C)C)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CN1CCN(CC1)CC(=O)NC(C)C
COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)cc2Cl)cn1C COC(=O)[*:1] Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(n(C)c2)[*:1])c(Cl)c1
COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)cc2Cl)cn1C Cc1ccc(c(Cl)c1)[*:1] COC(=O)c1cc(cn1C)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2)C1 CC(=O)NC[*:1] O=C(Cc1ccc(F)c(F)c1)N1CCC[C@H](C1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2)C1 CC(=O)N[*:1] O=C(Cc1ccc(F)c(F)c1)N1CCC[C@H](C1)C[*:1]
Cc1n[nH]cc1CNC(=O)CCOc1cccc(Br)c1 Cc1n[nH]cc1[*:1] O=C(CCOc1cccc(Br)c1)NC[*:1]
CC(=O)Nc1cc(C(=O)NC2CCCC2)ccc1Sc1ccc(Cl)cc1 O=C(NC1CCCC1)[*:1] CC(=O)Nc1cc(ccc1Sc1ccc(Cl)cc1)[*:1]
CC(=O)Nc1cc(C(=O)NC2CCCC2)ccc1Sc1ccc(Cl)cc1 CC(=O)N[*:1] O=C(NC1CCCC1)c1ccc(Sc2ccc(Cl)cc2)c(c1)[*:1]
CC(=O)Nc1cc(C(=O)NC2CCCC2)ccc1Sc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1S[*:1])C(=O)NC1CCCC1
CC(=O)Nc1cc(C(=O)NC2CCCC2)ccc1Sc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] CC(=O)Nc1cc(ccc1[*:1])C(=O)NC1CCCC1
CC(=O)Nc1cc(C(=O)NC2CCCC2)ccc1Sc1ccc(Cl)cc1 C1CCC(C1)[*:1] CC(=O)Nc1cc(ccc1Sc1ccc(Cl)cc1)C(=O)N[*:1]
C[NH+](CCCS(C)(=O)=O)Cc1cccc(-c2ccncc2)c1 c1cc(ccn1)[*:1] C[NH+](CCCS(C)(=O)=O)Cc1cccc(c1)[*:1]
C[NH+](CCCS(C)(=O)=O)Cc1cccc(-c2ccncc2)c1 CS(=O)(=O)[*:1] C[NH+](CCC[*:1])Cc1cccc(c1)-c1ccncc1
C[NH+](CCCS(C)(=O)=O)Cc1cccc(-c2ccncc2)c1 CS(=O)(=O)CC[*:1] C[NH+](Cc1cccc(c1)-c1ccncc1)C[*:1]
C[NH+](CCCS(C)(=O)=O)Cc1cccc(-c2ccncc2)c1 CS(=O)(=O)C[*:1] C[NH+](CC[*:1])Cc1cccc(c1)-c1ccncc1
Cc1ccc(CNC(=O)CSCc2nccn2C(F)F)cc1 Cc1ccc(cc1)[*:1] O=C(CSCc1nccn1C(F)F)NC[*:1]
Cc1ccc(CNC(=O)CSCc2nccn2C(F)F)cc1 FC(F)[*:1] Cc1ccc(cc1)CNC(=O)CSCc1nccn1[*:1]
CCOc1ccc(C(=O)NCC(=O)[O-])c2ccccc12 O=C([O-])[*:1] CCOc1ccc(C(=O)NC[*:1])c2ccccc12
CCOc1ccc(C(=O)NCC(=O)[O-])c2ccccc12 CCO[*:1] O=C([O-])CNC(=O)c1ccc(c2ccccc12)[*:1]
CCOc1ccc(C(=O)NCC(=O)[O-])c2ccccc12 O=C([O-])C[*:1] CCOc1ccc(C(=O)N[*:1])c2ccccc12
C[C@H]1CN(C(=O)NCCc2ncnn2C)CC[C@@H]1c1ccccc1 Cn1ncnc1[*:1] C[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)NCC[*:1]
C[C@H]1CN(C(=O)NCCc2ncnn2C)CC[C@@H]1c1ccccc1 Cn1ncnc1CC[*:1] C[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)N[*:1]
C[C@H]1CN(C(=O)NCCc2ncnn2C)CC[C@@H]1c1ccccc1 Cn1ncnc1C[*:1] C[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)NC[*:1]
C[C@H]1CN(C(=O)NCCc2ncnn2C)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CN(CC[C@H]1[*:1])C(=O)NCCc1ncnn1C
O=C([O-])C1=CN=C2C=C(Cl)C=C[C@H]12 O=C([O-])[*:1] ClC1C=C[C@@H]2C(=CN=C2C=1)[*:1]
O=C(C1CCN(c2ncccn2)CC1)N(CC1CCC1)c1ccccc1 C1CC(C1)C[*:1] O=C(C1CCN(CC1)c1ncccn1)N(c1ccccc1)[*:1]
O=C(C1CCN(c2ncccn2)CC1)N(CC1CCC1)c1ccccc1 c1cnc(nc1)[*:1] O=C(C1CCN(CC1)[*:1])N(CC1CCC1)c1ccccc1
O=C(C1CCN(c2ncccn2)CC1)N(CC1CCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)c1ncccn1)N(CC1CCC1)[*:1]
O=C(C1CCN(c2ncccn2)CC1)N(CC1CCC1)c1ccccc1 C1CC(C1)[*:1] O=C(C1CCN(CC1)c1ncccn1)N(C[*:1])c1ccccc1
Cc1nsc(N2CCC[NH+](CCCOc3cccc(Cl)c3)CC2)n1 Clc1cccc(c1)[*:1] Cc1nsc(n1)N1CCC[NH+](CCCO[*:1])CC1
Cc1nsc(N2CCC[NH+](CCCOc3cccc(Cl)c3)CC2)n1 Clc1cccc(c1)O[*:1] Cc1nsc(n1)N1CCC[NH+](CCC[*:1])CC1
Cc1nsc(N2CCC[NH+](CCCOc3cccc(Cl)c3)CC2)n1 Cc1nsc(n1)[*:1] Clc1cccc(c1)OCCC[NH+]1CCCN(CC1)[*:1]
CCCCNC(=O)C[NH+]1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 CCCC[*:1] O=C(C[NH+]1CCN(CC1)c1nc(nc2ccccc12)C(F)(F)F)N[*:1]
CCCCNC(=O)C[NH+]1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 FC(F)(F)[*:1] CCCCNC(=O)C[NH+]1CCN(CC1)c1nc(nc2ccccc12)[*:1]
CCCCNC(=O)C[NH+]1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 CCCCNC(=O)[*:1] FC(F)(F)c1nc(c2ccccc2n1)N1CC[NH+](CC1)C[*:1]
CCCCNC(=O)C[NH+]1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 CCCCNC(=O)C[*:1] FC(F)(F)c1nc(c2ccccc2n1)N1CC[NH+](CC1)[*:1]
CCCCNC(=O)C[NH+]1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 CCC[*:1] O=C(C[NH+]1CCN(CC1)c1nc(nc2ccccc12)C(F)(F)F)NC[*:1]
Cc1cc(NCC(=O)N[C@@H](c2ccccc2)C(C)C)c(C(N)=O)cc1F CC(C)[*:1] Cc1cc(NCC(=O)N[C@@H](c2ccccc2)[*:1])c(cc1F)C(N)=O
Cc1cc(NCC(=O)N[C@@H](c2ccccc2)C(C)C)c(C(N)=O)cc1F NC(=O)[*:1] Cc1cc(NCC(=O)N[C@@H](c2ccccc2)C(C)C)c(cc1F)[*:1]
Cc1cc(NCC(=O)N[C@@H](c2ccccc2)C(C)C)c(C(N)=O)cc1F c1ccc(cc1)[*:1] Cc1cc(NCC(=O)N[C@@H](C(C)C)[*:1])c(cc1F)C(N)=O
Cc1cc(I)ccc1NC(=S)NC(=O)c1cccnc1 c1cncc(c1)[*:1] Cc1cc(I)ccc1NC(=S)NC(=O)[*:1]
CC(C)c1nc(CN(C)C(=O)c2sccc2Cl)cs1 CC(C)[*:1] CN(Cc1csc(n1)[*:1])C(=O)c1sccc1Cl
CC(C)c1nc(CN(C)C(=O)c2sccc2Cl)cs1 Clc1ccsc1[*:1] CC(C)c1nc(cs1)CN(C)C(=O)[*:1]
CCc1cc(N)cc(C)c1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCc1cc(N)cc(C)c1NC(=O)[*:1]
O=C(NC(c1ccccc1)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCC3 c1ccc(cc1)[*:1] O=C(NC(c1ccccc1)[*:1])c1ccc2c(=O)n3CCCc3nc2c1
CC(C)c1nsc(NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)n1 CC(C)[*:1] CN(C)C(=O)[C@H]1CC[C@@H](CNc2nc(ns2)[*:1])O1
CC(C)c1nsc(NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)n1 CN(C)C(=O)[*:1] CC(C)c1nsc(n1)NC[C@@H]1CC[C@H](O1)[*:1]
CNC(=O)CCC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 CNC(=O)C[*:1] O=C(C[*:1])N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
CNC(=O)CCC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 CNC(=O)CC[*:1] O=C(N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1)[*:1]
CNC(=O)CCC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 CNC(=O)[*:1] O=C(CC[*:1])N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
Cc1ccc([C@](C)(O)CNC(=O)N[C@@H]2CCC[C@@H]2C)o1 Cc1ccc(o1)[*:1] C[C@H]1CCC[C@H]1NC(=O)NC[C@](C)(O)[*:1]
Cc1ccc([C@](C)(O)CNC(=O)N[C@@H]2CCC[C@@H]2C)o1 C[C@H]1CCC[C@H]1[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)N[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 Cc1cccc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)N[C@H](C)CO[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 Cc1cccc(c1)O[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)N[C@H](C)C[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 CC(C)[*:1] Cc1cccc(c1)OC[C@@H](C)NC(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 CC(C)C(=O)N[*:1] Cc1cccc(c1)OC[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 Cc1cccc(c1)OC[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)N[C@H](C)[*:1]
Cc1nnc(SCC(=O)Nc2cccc(O)c2)o1 Cc1nnc(o1)[*:1] O=C(CS[*:1])Nc1cccc(O)c1
CC(C)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] CC(C)c1cccc(c1)NC(=O)CSc1ccc(cc1)[*:1]
CC(C)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 CC(C)[*:1] O=C(CSc1ccc(cc1)[N+](=O)[O-])Nc1cccc(c1)[*:1]
COCCN(C)S(=O)(=O)C[C@@H](C)CCl C[C@@H](CCl)[*:1] COCCN(C)S(=O)(=O)C[*:1]
COCCN(C)S(=O)(=O)C[C@@H](C)CCl COCC[*:1] C[C@@H](CCl)CS(=O)(=O)N(C)[*:1]
COCCN(C)S(=O)(=O)C[C@@H](C)CCl COC[*:1] C[C@@H](CCl)CS(=O)(=O)N(C)C[*:1]
CC(C)[NH+]1CCCN(C(=O)c2ccnc(OC(C)(C)C)c2)CC1 CC(C)(C)O[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)c1ccnc(c1)[*:1]
CC(C)[NH+]1CCCN(C(=O)c2ccnc(OC(C)(C)C)c2)CC1 CC(C)(C)[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)c1ccnc(c1)O[*:1]
CC(C)[NH+]1CCCN(C(=O)c2ccnc(OC(C)(C)C)c2)CC1 CC(C)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N1CCC[NH+](CC1)[*:1]
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(Br)c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1cccc(Br)c1
O=C(NCCSCc1cccc(Cl)c1)c1cc(=O)[nH]c2ccccc12 Clc1cccc(c1)C[*:1] O=C(NCCS[*:1])c1cc(=O)[nH]c2ccccc12
O=C(NCCSCc1cccc(Cl)c1)c1cc(=O)[nH]c2ccccc12 Clc1cccc(c1)[*:1] O=C(NCCSC[*:1])c1cc(=O)[nH]c2ccccc12
COc1cc(NC(=O)CN(C)c2ccc(F)cc2)cc(OC)c1 Fc1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)CN(C)[*:1]
COc1ccc(OCCC(=O)Nc2ccc(-n3cncn3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(CCO[*:1])Nc1ccc(cc1)-n1cncn1
COc1ccc(OCCC(=O)Nc2ccc(-n3cncn3)cc2)cc1 c1ncn(n1)[*:1] COc1ccc(cc1)OCCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)O[C@@H](c2ccccc2)c2nccs2)c(C)n1 c1csc(n1)[*:1] Cc1ccc(C(=O)O[C@@H](c2ccccc2)[*:1])c(C)n1
Cc1ccc(C(=O)O[C@@H](c2ccccc2)c2nccs2)c(C)n1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)O[C@@H](c2nccs2)[*:1])c(C)n1
CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C)c1 CCNS(=O)(=O)[*:1] C[C@H]1CCCC[C@H]1NC(=O)c1cccc(c1)[*:1]
CCO[C@H]1C[C@H](NC(=O)c2ccc(=O)n(CC)n2)C12CCCCC2 CCO[*:1] CCn1nc(ccc1=O)C(=O)N[C@H]1C[C@@H](C12CCCCC2)[*:1]
Nc1ccc(SCc2nc(-c3ccco3)no2)cc1F c1coc(c1)[*:1] Nc1ccc(cc1F)SCc1nc(no1)[*:1]
Cn1c(=O)c2c(-c3ccccc3)n(-c3ccc4c(c3)OCCO4)cc2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(n(cc2n(C)c1=O)-c1ccc2OCCOc2c1)[*:1]
Clc1cccc(-c2nnn3c2nc(Cl)c2ccccc23)c1 Clc1cccc(c1)[*:1] Clc1nc2c(nnn2c2ccccc12)[*:1]
O=C(c1scnc1C1CC1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(c1scnc1C1CC1)N1CCC[NH+](CC1)[*:1]
O=C(c1scnc1C1CC1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 c1nc(c(s1)[*:1])C1CC1 O=C(N1CCC[NH+](CC1)Cc1ccc(F)cc1)[*:1]
O=C(c1scnc1C1CC1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 C1CC1[*:1] O=C(c1scnc1[*:1])N1CCC[NH+](CC1)Cc1ccc(F)cc1
O=C(c1scnc1C1CC1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1scnc1C1CC1)N1CCC[NH+](CC1)C[*:1]
CSC[C@@H](CCO)NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1 C1Cc2nnc(n2C1)[*:1] CSC[C@@H](CCO)NC(=O)Nc1cccc(c1)[*:1]
CSC[C@@H](CCO)NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1 CSC[*:1] O=C(Nc1cccc(c1)-c1nnc2CCCn21)N[C@H](CCO)[*:1]
CSC[C@@H](CCO)NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1 OCC[*:1] CSC[C@@H](NC(=O)Nc1cccc(c1)-c1nnc2CCCn21)[*:1]
O=C(NC[C@@H](O)c1ccc(F)cc1)C1CCN(C(=O)N2CCCC2)CC1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](O)[*:1])C1CCN(CC1)C(=O)N1CCCC1
CCCc1ccc(C(=O)C[C@H](C)CC(=O)[O-])cc1 CCC[*:1] C[C@H](CC(=O)[O-])CC(=O)c1ccc(cc1)[*:1]
CCCc1ccc(C(=O)C[C@H](C)CC(=O)[O-])cc1 O=C([O-])C[*:1] CCCc1ccc(cc1)C(=O)C[C@H](C)[*:1]
CCCc1ccc(C(=O)C[C@H](C)CC(=O)[O-])cc1 O=C([O-])[*:1] CCCc1ccc(cc1)C(=O)C[C@H](C)C[*:1]
COCCCNC(=O)Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O COC[*:1] O=C(Cn1nc(ccc1=O)-c1ccc2OCCOc2c1)NCC[*:1]
COCCCNC(=O)Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O COCC[*:1] O=C(Cn1nc(ccc1=O)-c1ccc2OCCOc2c1)NC[*:1]
COCCCNC(=O)Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O COCCCNC(=O)[*:1] O=c1ccc(nn1C[*:1])-c1ccc2OCCOc2c1
COCCCNC(=O)Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O COCCC[*:1] O=C(Cn1nc(ccc1=O)-c1ccc2OCCOc2c1)N[*:1]
Cc1c(NC(=O)C(C)C)cccc1C(=O)NCC(C)C CC(C)C[*:1] Cc1c(cccc1C(=O)N[*:1])NC(=O)C(C)C
Cc1c(NC(=O)C(C)C)cccc1C(=O)NCC(C)C CC(C)C(=O)N[*:1] Cc1c(cccc1[*:1])C(=O)NCC(C)C
Cc1c(NC(=O)C(C)C)cccc1C(=O)NCC(C)C CC(C)[*:1] Cc1c(cccc1C(=O)NC[*:1])NC(=O)C(C)C
Cc1c(NC(=O)C(C)C)cccc1C(=O)NCC(C)C CC(C)[*:1] Cc1c(cccc1C(=O)NCC(C)C)NC(=O)[*:1]
O=C(NNC(=O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl)c1ccccn1 c1coc(c1)[*:1] O=C(NNC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)NC[*:1])c1ccccn1
O=C(NNC(=O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl)c1ccccn1 O=S(=O)(NCc1ccco1)[*:1] O=C(NNC(=O)c1cc(c(Cl)cc1Cl)[*:1])c1ccccn1
O=C(NNC(=O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl)c1ccccn1 c1ccc(nc1)[*:1] O=C(NNC(=O)[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)NCc1ccco1
O=C(NNC(=O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl)c1ccccn1 c1coc(c1)C[*:1] O=C(NNC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N[*:1])c1ccccn1
CN(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1 C1CC1[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccccc1
CN(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)NC1CC1)S(=O)(=O)[*:1]
CN(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1 O=C(NC1CC1)[*:1] CN(C[*:1])S(=O)(=O)c1ccccc1
Cn1c(C2CC2)nc2cc(NC(=O)c3ccc([S@@](C)=O)cc3)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)c1ccc(cc1)[S@@](C)=O)[*:1]
CC(C)(C(=O)c1cncc2ccccc12)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(C(=O)c1cncc2ccccc12)[*:1]
CCOc1ccc(NC(=O)C(=O)N2CC[S@@](=O)C(C)(C)C2)cc1 CCO[*:1] CC1(C)CN(CC[S@]1=O)C(=O)C(=O)Nc1ccc(cc1)[*:1]
O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)N1CCN(c2ccccc2)CC1 c1ccc2c(cccc2c1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)-c1cccc2ccccc12)N1CCN(CC1)[*:1]
COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C)cc1 COCC[*:1] CC1N=C2S[C@@H](C)C(=O)N2[C@H](C=1C(=O)O[*:1])c1ccc(C)cc1
COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C)cc1 COC[*:1] CC1N=C2S[C@@H](C)C(=O)N2[C@H](C=1C(=O)OC[*:1])c1ccc(C)cc1
COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1[*:1]
COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C)cc1 COCCOC(=O)[*:1] CC1N=C2S[C@@H](C)C(=O)N2[C@H](C=1[*:1])c1ccc(C)cc1
C/C(=C/C(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C(C)C)C1)C(C)(C)C CC(=C[*:1])C(C)(C)C CC(C)n1c(n[nH]c1=S)[C@@H]1CCCN(C1)C(=O)[*:1]
C/C(=C/C(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C(C)C)C1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)N1CCC[C@H](C1)c1n[nH]c(=S)n1C(C)C)[*:1]
C/C(=C/C(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C(C)C)C1)C(C)(C)C CC(C)[*:1] C/C(=C/C(=O)N1CCC[C@H](C1)c1n[nH]c(=S)n1[*:1])C(C)(C)C
CCc1ccc(NC(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 CCc1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCCC(=O)N[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@](C)([NH3+])C1CC1 C1CC1[*:1] C[C@H]1[C@@H](CCN1C(=O)[C@](C)([NH3+])[*:1])C(=O)[O-]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@](C)([NH3+])C1CC1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)[C@](C)([NH3+])C1CC1)[*:1]
O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1C(F)(F)F c1cncc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1C(F)(F)F
O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1nc(cs1)-c1cccnc1)c1ccccc1[*:1]
O=C(CCCCl)NNC(=O)c1ccc(Cl)cc1 ClCC[*:1] O=C(C[*:1])NNC(=O)c1ccc(Cl)cc1
O=C(CCCCl)NNC(=O)c1ccc(Cl)cc1 ClCCC[*:1] O=C(NNC(=O)[*:1])c1ccc(Cl)cc1
Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2Cc1ccccc1 CC(C)(C)[*:1] Cc1nc2c(cc1NC(=O)[*:1])nc(C)n2Cc1ccccc1
Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2[*:1]
Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2Cc1ccccc1 CC(C)(C)C(=O)N[*:1] Cc1nc2c(cc1[*:1])nc(C)n2Cc1ccccc1
Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2C[*:1]
CCOc1ccc2c(c1)=[NH+][C@H](S[C@H](C(=O)Nc1cc(C)on1)c1ccccc1)[NH+]=2 Cc1cc(no1)[*:1] CCOc1ccc2=[NH+][C@H]([NH+]=c2c1)S[C@H](C(=O)N[*:1])c1ccccc1
CCOc1ccc2c(c1)=[NH+][C@H](S[C@H](C(=O)Nc1cc(C)on1)c1ccccc1)[NH+]=2 Cc1cc(no1)NC(=O)[*:1] CCOc1ccc2=[NH+][C@H]([NH+]=c2c1)S[C@H](c1ccccc1)[*:1]
CCOc1ccc2c(c1)=[NH+][C@H](S[C@H](C(=O)Nc1cc(C)on1)c1ccccc1)[NH+]=2 CCO[*:1] Cc1cc(no1)NC(=O)[C@@H](S[C@@H]1[NH+]=c2ccc(cc2=[NH+]1)[*:1])c1ccccc1
CCOc1ccc2c(c1)=[NH+][C@H](S[C@H](C(=O)Nc1cc(C)on1)c1ccccc1)[NH+]=2 c1ccc(cc1)[*:1] CCOc1ccc2=[NH+][C@H]([NH+]=c2c1)S[C@H](C(=O)Nc1cc(C)on1)[*:1]
Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)C(=O)NC[*:1])N1CC[NH+](C)CC1
Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 Cc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)[*:1]
Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1)[C@H](CNC(=O)C(=O)N[*:1])N1CC[NH+](C)CC1
Cc1cccc(O[C@@H](C)C(=O)NCCc2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)NCC[*:1]
Cc1cccc(O[C@@H](C)C(=O)NCCc2ccccn2)c1 c1ccc(C[*:1])nc1 Cc1cccc(c1)O[C@@H](C)C(=O)NC[*:1]
Cc1cccc(O[C@@H](C)C(=O)NCCc2ccccn2)c1 Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)NCCc1ccccn1
CSCC[C@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1Cl CSCC[*:1] C[C@H](NC(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
CSCC[C@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1Cl CSCC[C@H](C)[*:1] O=C(N[*:1])c1cc(ccc1Cl)N1CCCC1=O
CSCC[C@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CSCC[C@H](C)NC(=O)c1cc(ccc1Cl)[*:1]
CSCC[C@H](C)NC(=O)c1cc(N2CCCC2=O)ccc1Cl CSC[*:1] C[C@@H](C[*:1])NC(=O)c1cc(ccc1Cl)N1CCCC1=O
O=CN1CCc2cc(C(=O)CSc3cccc[n+]3[O-])ccc21 [O-][n+]1ccccc1[*:1] O=CN1CCc2cc(ccc21)C(=O)CS[*:1]
COc1ccccc1C[NH2+][C@@](C)(CO)C1CC1 C1CC1[*:1] COc1ccccc1C[NH2+][C@@](C)(CO)[*:1]
O=C(NCc1ccccc1Cl)NC[C@H](CCO)c1ccccc1 OCC[*:1] O=C(NCc1ccccc1Cl)NC[C@H](c1ccccc1)[*:1]
O=C(NCc1ccccc1Cl)NC[C@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1Cl)NC[C@H](CCO)[*:1]
O=C(NCc1ccccc1Cl)NC[C@H](CCO)c1ccccc1 Clc1ccccc1[*:1] O=C(NC[C@H](CCO)c1ccccc1)NC[*:1]
O=C(Nc1ccccc1Br)C1CCN(C(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1Br)C1CCN(CC1)C(=O)C[*:1]
O=C(Nc1ccccc1Br)C1CCN(C(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1Br)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccccc1Br)C1CCN(C(=O)Cc2ccccc2)CC1 Brc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)Cc1ccccc1
C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@@H](C)c2ccccc2)cc1 C=CCNC(=O)[*:1] C[C@H](CN(C)C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)N(C)C[C@@H](C)[*:1]
C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@@H](C)c2ccccc2)cc1 C=CC[*:1] C[C@H](CN(C)C(=O)Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1
C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@@H](C)c2ccccc2)cc1 C[C@@H](c1ccccc1)[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)N(C)C[*:1]
C[C@H](S[C@@H]1NN=C(CCC(N)=O)N1C)C1=NC(=O)C2=C(c3cccs3)CSC2=N1 NC(=O)[*:1] C[C@H](S[C@@H]1NN=C(CC[*:1])N1C)C1N=C2SCC(=C2C(=O)N=1)c1cccs1
C[C@H](S[C@@H]1NN=C(CCC(N)=O)N1C)C1=NC(=O)C2=C(c3cccs3)CSC2=N1 NC(=O)CC[*:1] C[C@H](S[C@@H]1NN=C(N1C)[*:1])C1N=C2SCC(=C2C(=O)N=1)c1cccs1
C[C@H](S[C@@H]1NN=C(CCC(N)=O)N1C)C1=NC(=O)C2=C(c3cccs3)CSC2=N1 NC(=O)C[*:1] C[C@H](S[C@@H]1NN=C(C[*:1])N1C)C1N=C2SCC(=C2C(=O)N=1)c1cccs1
C[C@H](S[C@@H]1NN=C(CCC(N)=O)N1C)C1=NC(=O)C2=C(c3cccs3)CSC2=N1 c1csc(c1)[*:1] C[C@H](S[C@@H]1NN=C(CCC(N)=O)N1C)C1N=C2SCC(=C2C(=O)N=1)[*:1]
C[C@H](c1ccncn1)N(C)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 c1cc(ncn1)[*:1] C[C@H](N(C)C(=O)c1csc2nc(cn12)-c1ccc(F)cc1)[*:1]
C[C@H](c1ccncn1)N(C)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 Fc1ccc(cc1)[*:1] C[C@H](c1ccncn1)N(C)C(=O)c1csc2nc(cn12)[*:1]
C[C@H](CC(N)=O)[NH2+][C@H](CO)CC(C)(C)C NC(=O)C[*:1] C[C@H]([NH2+][C@H](CO)CC(C)(C)C)[*:1]
C[C@H](CC(N)=O)[NH2+][C@H](CO)CC(C)(C)C CC(C)(C)[*:1] C[C@H](CC(N)=O)[NH2+][C@H](CO)C[*:1]
C[C@H](CC(N)=O)[NH2+][C@H](CO)CC(C)(C)C NC(=O)[*:1] C[C@H](C[*:1])[NH2+][C@H](CO)CC(C)(C)C
C[C@H](CC(N)=O)[NH2+][C@H](CO)CC(C)(C)C CC(C)(C)C[*:1] C[C@H](CC(N)=O)[NH2+][C@H](CO)[*:1]
N#Cc1nccn1CC(N)=O NC(=O)[*:1] N#Cc1nccn1C[*:1]
CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(N)c2)cc1 CCO[*:1] COc1ccc(cc1N)S(=O)(=O)Nc1ccc(cc1)[*:1]
CC[NH2+][C@H](CC(C)C)[C@@]1(C)CCCO1 CC(C)[*:1] CC[NH2+][C@H](C[*:1])[C@@]1(C)CCCO1
CC[NH2+][C@H](CC(C)C)[C@@]1(C)CCCO1 CC(C)C[*:1] CC[NH2+][C@H]([C@@]1(C)CCCO1)[*:1]
CC[C@H]([NH2+][C@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H]([NH2+][C@H](C)C(C)C)c1cccc(c1)[*:1]
CC[C@H]([NH2+][C@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 CC(C)[*:1] CC[C@H]([NH2+][C@H](C)[*:1])c1cccc(c1)[N+](=O)[O-]
C[C@@H]([NH2+]Cc1cc[nH]c1)c1nc(-c2ccccc2)cs1 c1cc(c[nH]1)[*:1] C[C@@H]([NH2+]C[*:1])c1nc(cs1)-c1ccccc1
C[C@@H]([NH2+]Cc1cc[nH]c1)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]Cc1cc[nH]c1)c1nc(cs1)[*:1]
CC[C@@H](C)CN(CC)[C@@H](c1ccccn1)[C@@H](C)[NH3+] CC[C@@H](C)C[*:1] CCN([C@@H](c1ccccn1)[C@@H](C)[NH3+])[*:1]
CC[C@@H](C)CN(CC)[C@@H](c1ccccn1)[C@@H](C)[NH3+] CC[C@@H](C)[*:1] CCN(C[*:1])[C@@H](c1ccccn1)[C@@H](C)[NH3+]
CC[C@@H](C)CN(CC)[C@@H](c1ccccn1)[C@@H](C)[NH3+] c1ccc(nc1)[*:1] CC[C@@H](C)CN(CC)[C@@H]([C@@H](C)[NH3+])[*:1]
Cc1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)c(O)c1 Clc1ccccc1[*:1] Cc1ccc(NC(=O)CCNC(=O)[*:1])c(O)c1
Cc1cccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccccn2)c1C c1ccc(nc1)[*:1] Cc1cccc(c1C)[C@@H](C)NC(=O)[C@@H](C)S[*:1]
Cc1cccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccccn2)c1C c1ccc(nc1)S[*:1] Cc1cccc(c1C)[C@@H](C)NC(=O)[C@@H](C)[*:1]
C[C@H](C(N)=O)N1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 C[C@H](C(N)=O)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])N[C@@H]1CCCc2ccccc21
C[C@H](C(N)=O)N1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 NC(=O)[*:1] C[C@H](N1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC1)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)c1cc(C)n(C2CC2)c1C C1CC1[*:1] Cc1ccccc1[C@@H](C)NC(=O)c1cc(C)n(c1C)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)c1cc(C)n(C2CC2)c1C Cc1ccccc1[*:1] Cc1cc(C(=O)N[C@H](C)[*:1])c(C)n1C1CC1
O=C(Cn1ccnc1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 c1cn(cn1)C[*:1] O=C(N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(Cn1ccnc1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(Cn1ccnc1)N(C1CCCC1)[*:1]
O=C(Cn1ccnc1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 c1cn(cn1)[*:1] O=C(C[*:1])N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
O=C(Cn1ccnc1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] O=C(Cn1ccnc1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1cccc(F)c1F)c1ccc(F)cc1 Fc1cccc(c1F)[*:1] Cn1ccnc1[C@@H](NC(=O)C(=O)N[*:1])c1ccc(F)cc1
Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1cccc(F)c1F)c1ccc(F)cc1 Cn1ccnc1[*:1] O=C(Nc1cccc(F)c1F)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1cccc(F)c1F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1cccc(F)c1F)[*:1]
C[C@@H](C[NH2+][C@H]1CCc2ccccc21)[S@](C)=O C[S@](=O)[*:1] C[C@@H](C[NH2+][C@H]1CCc2ccccc21)[*:1]
CC(C)[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(C(F)(F)F)c1 CC(C)[*:1] CN1C[C@@H](CCC1=O)[NH2+][C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CC(C)[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(c1)[*:1]
O=C(C[C@H](O)c1ccccc1)NCc1cc[nH+]c(N2CCCC2)c1 C1CCN(C1)[*:1] O=C(C[C@H](O)c1ccccc1)NCc1cc[nH+]c(c1)[*:1]
O=C(C[C@H](O)c1ccccc1)NCc1cc[nH+]c(N2CCCC2)c1 O[C@H](c1ccccc1)[*:1] O=C(C[*:1])NCc1cc[nH+]c(c1)N1CCCC1
O=C(C[C@H](O)c1ccccc1)NCc1cc[nH+]c(N2CCCC2)c1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])NCc1cc[nH+]c(c1)N1CCCC1
O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H](CO)[*:1]
CCOC(=O)C[C@@H](C)NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CCOC(=O)C[C@@H](C)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)N[*:1]
CCOC(=O)C[C@@H](C)NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] CCOC(=O)C[C@@H](C)NC(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CCOC(=O)C[C@@H](C)NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CCOC(=O)C[*:1] C[C@@H](NC(=O)Nc1ccc2[nH]c(nc2c1)C(F)F)[*:1]
CCOC(=O)C[C@@H](C)NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CCOC(=O)[*:1] C[C@H](C[*:1])NC(=O)Nc1ccc2[nH]c(nc2c1)C(F)F
C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)N1CCCC1 Fc1ccccc1[*:1] C[C@@H](Sc1nnc(n1Cc1ccccc1)[*:1])C(=O)N1CCCC1
C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)[*:1]
C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(-c2ccccc2F)n1C[*:1])C(=O)N1CCCC1
C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)C[*:1] C[C@@H](Sc1nnc(-c2ccccc2F)n1[*:1])C(=O)N1CCCC1
Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)c3ccc(F)cc3)nc12 O=C(N[*:1])c1ccc(F)cc1 Cc1cccn2c(=O)cc(CSc3ccccc3[*:1])nc12
Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)c3ccc(F)cc3)nc12 Fc1ccc(cc1)[*:1] Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)[*:1])nc12
COCCOCCNC(=O)N1CC[NH+](C2CCCC2)CC1 COCCO[*:1] O=C(NCC[*:1])N1CC[NH+](CC1)C1CCCC1
COCCOCCNC(=O)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] COCCOCCNC(=O)N1CC[NH+](CC1)[*:1]
COCCOCCNC(=O)N1CC[NH+](C2CCCC2)CC1 COCCOC[*:1] O=C(NC[*:1])N1CC[NH+](CC1)C1CCCC1
COCCOCCNC(=O)N1CC[NH+](C2CCCC2)CC1 COCC[*:1] O=C(NCCO[*:1])N1CC[NH+](CC1)C1CCCC1
COCCOCCNC(=O)N1CC[NH+](C2CCCC2)CC1 COCCOCC[*:1] O=C(N[*:1])N1CC[NH+](CC1)C1CCCC1
COCCOCCNC(=O)N1CC[NH+](C2CCCC2)CC1 COC[*:1] O=C(NCCOC[*:1])N1CC[NH+](CC1)C1CCCC1
Cc1ccc(-c2noc(CCC(=O)NNC(=O)NC(C)C)n2)cc1F Cc1ccc(cc1F)[*:1] CC(C)NC(=O)NNC(=O)CCc1nc(no1)[*:1]
Cc1ccc(-c2noc(CCC(=O)NNC(=O)NC(C)C)n2)cc1F CC(C)[*:1] Cc1ccc(cc1F)-c1noc(CCC(=O)NNC(=O)N[*:1])n1
COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)nn4-c4ccccc4)cc3N2)c1 Cc1cc(n(n1)-c1ccccc1)[*:1] COc1cccc(c1)[C@H]1C[C@H](n2nc(cc2N1)C(=O)N[*:1])C(F)(F)F
COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)nn4-c4ccccc4)cc3N2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1C[C@H](n2nc(cc2N1)C(=O)Nc1cc(C)nn1[*:1])C(F)(F)F
COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)nn4-c4ccccc4)cc3N2)c1 FC(F)(F)[*:1] COc1cccc(c1)[C@H]1C[C@@H](n2nc(cc2N1)C(=O)Nc1cc(C)nn1-c1ccccc1)[*:1]
COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)nn4-c4ccccc4)cc3N2)c1 COc1cccc(c1)[*:1] Cc1cc(NC(=O)c2cc3N[C@H](C[C@H](n3n2)C(F)(F)F)[*:1])n(n1)-c1ccccc1
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc(-c3cccs3)cs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(cs1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc(-c3cccs3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1cccs1)[C@@H]1CCCN1S(=O)(=O)[*:1]
NC(=O)C1CCN(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)CC1 NC(=O)[*:1] O=C(c1nnn(n1)-c1ccc(cc1)OC(F)(F)F)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)CC1 FC(F)(F)O[*:1] NC(=O)C1CCN(CC1)C(=O)c1nnn(n1)-c1ccc(cc1)[*:1]
NC(=O)C1CCN(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)CC1 FC(F)(F)[*:1] NC(=O)C1CCN(CC1)C(=O)c1nnn(n1)-c1ccc(cc1)O[*:1]
Nc1nc(N)c2nc(-c3ccc([N+](=O)[O-])cc3)c(Cl)nc2n1 O=[N+]([O-])[*:1] Nc1nc(N)c2nc(-c3ccc(cc3)[*:1])c(Cl)nc2n1
CC[C@H](C#N)OC(=O)c1nn(-c2ccccc2C)c2c1CCC2 Cc1ccccc1[*:1] CC[C@H](C#N)OC(=O)c1nn(c2CCCc12)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Oc1cc(O)c2c(=O)cc(oc2c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 CC(C)(C)[*:1] O=C(Oc1cc(O)c2c(=O)cc(oc2c1)-c1ccccc1)[C@H]1CCCN1C(=O)O[*:1]
C=CCNC(=O)C[NH2+][C@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C=CCNC(=O)C[NH2+][C@](C)(C(F)(F)F)[*:1]
C=CCNC(=O)C[NH2+][C@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C=CCNC(=O)C[NH2+][C@](C)(C(=O)[O-])[*:1]
C=CCNC(=O)C[NH2+][C@](C)(C(=O)[O-])C(F)(F)F C=CC[*:1] C[C@@]([NH2+]CC(=O)N[*:1])(C(=O)[O-])C(F)(F)F
Cc1cc(S(N)(=O)=O)ccc1NC(=O)N1CCOCC1 NS(=O)(=O)[*:1] Cc1cc(ccc1NC(=O)N1CCOCC1)[*:1]
CCCN1C[C@H](C(C)(C)C)[NH2+]Cc2ccccc21 CC(C)(C)[*:1] CCCN1C[C@H]([NH2+]Cc2ccccc21)[*:1]
CCCN1C[C@H](C(C)(C)C)[NH2+]Cc2ccccc21 CCC[*:1] CC(C)(C)[C@H]1CN(c2ccccc2C[NH2+]1)[*:1]
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N(Cc1ccccc1)CC(C)(C)C CC(C)(C)C[*:1] Cc1nc([nH]c(=O)c1CC(=O)N(Cc1ccccc1)[*:1])-c1ncccn1
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N(Cc1ccccc1)CC(C)(C)C c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N(CC(C)(C)C)C[*:1])-c1ncccn1
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N(Cc1ccccc1)CC(C)(C)C c1ccc(cc1)C[*:1] Cc1nc([nH]c(=O)c1CC(=O)N(CC(C)(C)C)[*:1])-c1ncccn1
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N(Cc1ccccc1)CC(C)(C)C CC(C)(C)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N(Cc1ccccc1)C[*:1])-c1ncccn1
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N(Cc1ccccc1)CC(C)(C)C c1cnc(nc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N(Cc1ccccc1)CC(C)(C)C)[*:1]
O=C(Nc1cccc(OCc2ccccc2)c1)C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)OCc1ccccc1)[*:1]
O=C(Nc1cccc(OCc2ccccc2)c1)C1CC1 O=C(N[*:1])C1CC1 c1ccc(cc1)COc1cccc(c1)[*:1]
O=C(Nc1cccc(OCc2ccccc2)c1)C1CC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)OC[*:1])C1CC1
COCC[NH2+]CC(=O)Nc1ccccc1-n1ccnc1 COCC[*:1] O=C(C[NH2+][*:1])Nc1ccccc1-n1ccnc1
COCC[NH2+]CC(=O)Nc1ccccc1-n1ccnc1 c1cn(cn1)[*:1] COCC[NH2+]CC(=O)Nc1ccccc1[*:1]
COCC[NH2+]CC(=O)Nc1ccccc1-n1ccnc1 COC[*:1] O=C(C[NH2+]C[*:1])Nc1ccccc1-n1ccnc1
CCc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 CC(C)[*:1] CCc1ccc(cc1)C(=O)Nc1cnc2c(cnn2[*:1])c1
CNC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O CNC(=O)NC[*:1] CN(C(=O)[*:1])[C@@H]1CCN(C1=O)c1ccccc1Cl
CNC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O CNC(=O)N[*:1] CN(C(=O)C[*:1])[C@@H]1CCN(C1=O)c1ccccc1Cl
CNC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] CNC(=O)NCC(=O)N(C)[C@@H]1CCN(C1=O)[*:1]
Cc1noc(NC(=O)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] FC(F)(F)[*:1] Cc1noc(NC(=O)c2ccc(cc2)[*:1])c1[N+](=O)[O-]
Cc1noc(NC(=O)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1noc(NC(=O)c2ccc(cc2)C(F)(F)F)c1[*:1]
Cc1ccccc1C(=O)OCC(=O)Nc1cc(F)cc(F)c1 Cc1ccccc1[*:1] O=C(COC(=O)[*:1])Nc1cc(F)cc(F)c1
Clc1ccccc1OCCn1cc([C@@H]2CC=CCC2)nn1 Clc1ccccc1[*:1] C1=CC[C@H](CC1)c1cn(CCO[*:1])nn1
O=C([O-])c1ccc(-c2nnn(Cc3ccccc3)n2)cc1 O=C([O-])[*:1] c1ccc(cc1)Cn1nnc(n1)-c1ccc(cc1)[*:1]
O=C([O-])c1ccc(-c2nnn(Cc3ccccc3)n2)cc1 c1ccc(cc1)C[*:1] O=C([O-])c1ccc(cc1)-c1nnn(n1)[*:1]
O=C([O-])c1ccc(-c2nnn(Cc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)-c1nnn(C[*:1])n1
CC(C)c1ccc(C[C@H](C)[NH3+])cc1 CC(C)[*:1] C[C@H]([NH3+])Cc1ccc(cc1)[*:1]
CC(C)c1ccc(C[C@H](C)[NH3+])cc1 C[C@H]([NH3+])C[*:1] CC(C)c1ccc(cc1)[*:1]
O=C(NCc1cccc(OCC(F)F)c1)c1scnc1C1CC1 FC(F)CO[*:1] O=C(NCc1cccc(c1)[*:1])c1scnc1C1CC1
O=C(NCc1cccc(OCC(F)F)c1)c1scnc1C1CC1 FC(F)C[*:1] O=C(NCc1cccc(c1)O[*:1])c1scnc1C1CC1
O=C(NCc1cccc(OCC(F)F)c1)c1scnc1C1CC1 C1CC1[*:1] O=C(NCc1cccc(c1)OCC(F)F)c1scnc1[*:1]
O=C(NCc1cccc(OCC(F)F)c1)c1scnc1C1CC1 FC(F)[*:1] O=C(NCc1cccc(c1)OC[*:1])c1scnc1C1CC1
O=C(Nc1nnc(-c2cccs2)o1)c1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1cccs1)c1ccccc1O[*:1]
O=C(Nc1nnc(-c2cccs2)o1)c1ccccc1Oc1ccccc1 c1csc(c1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccccc1Oc1ccccc1
O=C(Nc1nnc(-c2cccs2)o1)c1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(Nc1nnc(o1)-c1cccs1)c1ccccc1[*:1]
CC[C@H](CO)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 CC[C@H](CO)[*:1] O=C(N[*:1])c1csc(n1)-c1ccc(Cl)cc1
CNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(cc1)C(=O)C=C[*:1]
CNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 CNS(=O)(=O)[*:1] O=C(/C=C/c1ccc(F)cc1)c1ccc(cc1)[*:1]
CCCC(=O)N1CCC(C(=O)Nc2cccc(C(=O)OC)c2)CC1 COC(=O)[*:1] CCCC(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
CCCC(=O)N1CCC(C(=O)Nc2cccc(C(=O)OC)c2)CC1 CCC[*:1] COC(=O)c1cccc(c1)NC(=O)C1CCN(CC1)C(=O)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(cc1)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(cc1)NC(=O)[*:1]
Cc1ccsc1CNc1nc(Cl)nc(-n2cncn2)n1 c1ncn(n1)[*:1] Cc1ccsc1CNc1nc(Cl)nc(n1)[*:1]
Cc1ccsc1CNc1nc(Cl)nc(-n2cncn2)n1 Cc1ccsc1[*:1] Clc1nc(nc(n1)-n1cncn1)NC[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 CC(C)[*:1] O=C(Nc1ccc(Cl)cn1)[C@@H](c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 Clc1ccc(nc1)[*:1] CC(C)[C@@H](C(=O)N[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)[C@@H](C(=O)Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)[C@@H](C(=O)Nc1ccc(Cl)cn1)c1ccc(cc1)[*:1]
Cc1oc(C2CC2)cc1C(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 C1CC1[*:1] Cc1oc(cc1C(=O)N1CCC(CC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[*:1]
Cc1oc(C2CC2)cc1C(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 Cc1oc(cc1[*:1])C1CC1 O=C(N1CCC(CC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[*:1]
CC[NH2+][C@]1(C(=O)OCC)CCC[C@H](Sc2ccncc2)C1 c1cc(ccn1)S[*:1] CC[NH2+][C@@]1(CCC[C@H](C1)[*:1])C(=O)OCC
CC[NH2+][C@]1(C(=O)OCC)CCC[C@H](Sc2ccncc2)C1 c1cc(ccn1)[*:1] CC[NH2+][C@@]1(CCC[C@@H](C1)S[*:1])C(=O)OCC
CC[NH2+][C@]1(C(=O)OCC)CCC[C@H](Sc2ccncc2)C1 CCOC(=O)[*:1] CC[NH2+][C@@]1(CCC[C@@H](C1)Sc1ccncc1)[*:1]
COc1ccc(/C=C/C(=O)N2CCCc3cc(F)cc(F)c32)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] COc1ccc(/C=C/C(=O)N2CCCc3cc(F)cc(F)c32)cc1[*:1]
CCO[C@H](C)c1noc([C@@H](C)OC2CCCCCC2)n1 CCO[*:1] C[C@@H](OC1CCCCCC1)c1nc(no1)[C@@H](C)[*:1]
CCO[C@H](C)c1noc([C@@H](C)OC2CCCCCC2)n1 CCO[C@H](C)[*:1] C[C@@H](OC1CCCCCC1)c1nc(no1)[*:1]
O[C@@H](CCC(F)(F)F)c1cncn1C1CC1 FC(F)(F)[*:1] O[C@@H](CC[*:1])c1cncn1C1CC1
O[C@@H](CCC(F)(F)F)c1cncn1C1CC1 FC(F)(F)C[*:1] O[C@@H](C[*:1])c1cncn1C1CC1
O[C@@H](CCC(F)(F)F)c1cncn1C1CC1 C1CC1[*:1] O[C@@H](CCC(F)(F)F)c1cncn1[*:1]
CCS(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CCS(=O)(=O)N[C@H]1C=C[C@@H](C1)[*:1]
C#CCN1CCN(CC(=O)Nc2cc(OC)ccc2OC)CC1 C#CC[*:1] COc1ccc(OC)c(c1)NC(=O)CN1CCN(CC1)[*:1]
Cc1ccc(C)c(-c2nc(NC3CC3)sc2C)c1 C1CC1[*:1] Cc1ccc(C)c(c1)-c1nc(N[*:1])sc1C
Cc1ccc(C)c(-c2nc(NC3CC3)sc2C)c1 C1CC1N[*:1] Cc1ccc(C)c(c1)-c1nc(sc1C)[*:1]
O=[N+]([O-])c1ccc2c(c1)C[C@H](O)C2 O=[N+]([O-])[*:1] O[C@@H]1Cc2ccc(cc2C1)[*:1]
OC[C@H]1CCCN(c2cncc(OCc3ccccc3)n2)C1 c1ccc(cc1)C[*:1] OC[C@H]1CCCN(C1)c1cncc(n1)O[*:1]
OC[C@H]1CCCN(c2cncc(OCc3ccccc3)n2)C1 c1ccc(cc1)[*:1] OC[C@H]1CCCN(C1)c1cncc(n1)OC[*:1]
CC(C)[NH2+][C@@H](C)[C@@H](C)Cc1ccc(Br)s1 CC(C)[*:1] C[C@@H](Cc1ccc(Br)s1)[C@H](C)[NH2+][*:1]
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)C3=CC[C@]21C CC(=O)O[*:1] C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1C2=CC[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)C[*:1]
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)C3=CC[C@]21C CC(=O)OCC(=O)[*:1] C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1C2=CC[C@]2(C)[C@@H]1CC[C@@]2(O)[*:1]
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)C3=CC[C@]21C CC(=O)OC[*:1] C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1C2=CC[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)[*:1]
Cc1ccc([C@H](C)N(C)S(=O)(=O)c2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] Cc1ccc(cc1)[C@H](C)N(C)S(=O)(=O)[*:1]
Cc1ccc(-n2nnnc2SCc2csc(-c3ccc(C)o3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(o1)-c1nc(cs1)CSc1nnnn1[*:1]
Cc1ccc(-n2nnnc2SCc2csc(-c3ccc(C)o3)n2)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)-n1nnnc1SCc1csc(n1)[*:1]
Cc1nc(-c2ccccc2Cl)sc1C(=O)NCC1CCC(C(=O)[O-])CC1 Clc1ccccc1[*:1] Cc1nc(sc1C(=O)NCC1CCC(CC1)C(=O)[O-])[*:1]
Cc1nc(-c2ccccc2Cl)sc1C(=O)NCC1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] Cc1nc(sc1C(=O)NCC1CCC(CC1)[*:1])-c1ccccc1Cl
C[C@@H](O)CCN(C)C(=O)Nc1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] C[C@@H](O)CCN(C)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](O)CCN(C)C(=O)Nc1ccc(-n2ccnn2)cc1 C[C@@H](O)[*:1] CN(CC[*:1])C(=O)Nc1ccc(cc1)-n1ccnn1
C[C@@H](O)CCN(C)C(=O)Nc1ccc(-n2ccnn2)cc1 C[C@@H](O)CC[*:1] CN(C(=O)Nc1ccc(cc1)-n1ccnn1)[*:1]
C[C@@H](O)CCN(C)C(=O)Nc1ccc(-n2ccnn2)cc1 C[C@@H](O)C[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)-n1ccnn1
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 COC(=O)[*:1] CC(C)(C#N)c1ccc(cc1)NC(=O)N[C@@H]1CCCCC[C@H]1[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccc(C(C)(C)C#N)cc1 CC(C)(C#N)[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)C1CCN(C(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)CC1 CCOC(=O)[*:1] Cc1cc(=O)n2nc(sc2n1)N1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(Nc2nc([C@]3(C)C[C@@]4(C[C@@H](COCC(C)C)OC4=O)C(=O)O3)cs2)cc1 CC(C)CO[*:1] Cc1ccc(cc1)Nc1nc(cs1)[C@]1(C)C[C@@]2(C[C@@H](C[*:1])OC2=O)C(=O)O1
Cc1ccc(Nc2nc([C@]3(C)C[C@@]4(C[C@@H](COCC(C)C)OC4=O)C(=O)O3)cs2)cc1 CC(C)[*:1] Cc1ccc(cc1)Nc1nc(cs1)[C@]1(C)C[C@@]2(C[C@@H](COC[*:1])OC2=O)C(=O)O1
Cc1ccc(Nc2nc([C@]3(C)C[C@@]4(C[C@@H](COCC(C)C)OC4=O)C(=O)O3)cs2)cc1 CC(C)COC[*:1] Cc1ccc(cc1)Nc1nc(cs1)[C@]1(C)C[C@@]2(C[C@@H](OC2=O)[*:1])C(=O)O1
Cc1ccc(Nc2nc([C@]3(C)C[C@@]4(C[C@@H](COCC(C)C)OC4=O)C(=O)O3)cs2)cc1 Cc1ccc(cc1)[*:1] CC(C)COC[C@@H]1C[C@@]2(C[C@](C)(OC2=O)c2csc(n2)N[*:1])C(=O)O1
Cc1ccc(Nc2nc([C@]3(C)C[C@@]4(C[C@@H](COCC(C)C)OC4=O)C(=O)O3)cs2)cc1 CC(C)C[*:1] Cc1ccc(cc1)Nc1nc(cs1)[C@]1(C)C[C@@]2(C[C@@H](CO[*:1])OC2=O)C(=O)O1
Cc1ccc(Nc2nc([C@]3(C)C[C@@]4(C[C@@H](COCC(C)C)OC4=O)C(=O)O3)cs2)cc1 Cc1ccc(cc1)N[*:1] CC(C)COC[C@@H]1C[C@@]2(C[C@](C)(OC2=O)c2csc(n2)[*:1])C(=O)O1
CNC(=O)c1cccc(NCC2(CO)CC2)n1 CNC(=O)[*:1] OCC1(CC1)CNc1cccc(n1)[*:1]
CNC(=O)c1cccc(NCC2(CO)CC2)n1 OCC1(CC1)[*:1] CNC(=O)c1cccc(n1)NC[*:1]
CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 CCNS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)[*:1]
CSCC[C@@H](C)NC(=O)Cc1cccc(F)c1F CSCC[*:1] C[C@@H](NC(=O)Cc1cccc(F)c1F)[*:1]
CSCC[C@@H](C)NC(=O)Cc1cccc(F)c1F CSCC[C@@H](C)[*:1] O=C(Cc1cccc(F)c1F)N[*:1]
CSCC[C@@H](C)NC(=O)Cc1cccc(F)c1F CSC[*:1] C[C@H](C[*:1])NC(=O)Cc1cccc(F)c1F
O=C(OCCN1CCOC1=O)c1ccc(-c2nc3ccccc3s2)o1 O=C1OCCN1C[*:1] O=C(OC[*:1])c1ccc(o1)-c1nc2ccccc2s1
O=C(OCCN1CCOC1=O)c1ccc(-c2nc3ccccc3s2)o1 O=C1OCCN1CC[*:1] O=C(O[*:1])c1ccc(o1)-c1nc2ccccc2s1
O=C(OCCN1CCOC1=O)c1ccc(-c2nc3ccccc3s2)o1 O=C1OCCN1[*:1] O=C(OCC[*:1])c1ccc(o1)-c1nc2ccccc2s1
CC(=O)c1c(F)cccc1-n1cc[n+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 CC(=O)[*:1] C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[n+]1ccn(c1)-c1cccc(F)c1[*:1]
CCCOC[C@@H]([NH2+]CC)[C@@H]1Cc2ccccc21 CCC[*:1] CC[NH2+][C@H](CO[*:1])[C@@H]1Cc2ccccc21
CCCOC[C@@H]([NH2+]CC)[C@@H]1Cc2ccccc21 CCCO[*:1] CC[NH2+][C@H](C[*:1])[C@@H]1Cc2ccccc21
CCCOC[C@@H]([NH2+]CC)[C@@H]1Cc2ccccc21 CCCOC[*:1] CC[NH2+][C@@H]([C@@H]1Cc2ccccc21)[*:1]
O=C(CC[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1)NCc1ccccc1F Fc1ccccc1C[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)c1cnc2ccccn2c1=O)N[*:1]
O=C(CC[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1)NCc1ccccc1F Fc1ccccc1[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)c1cnc2ccccn2c1=O)NC[*:1]
CCCCCC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C)cc1)CC2=O CCCCC[*:1] Cc1ccc(cc1)[C@@H]1CC(=O)c2cnc(nc2C1)NC(=O)[*:1]
CCCCCC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C)cc1)CC2=O CCCC[*:1] Cc1ccc(cc1)[C@@H]1CC(=O)c2cnc(nc2C1)NC(=O)C[*:1]
CCCCCC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C)cc1)CC2=O Cc1ccc(cc1)[*:1] CCCCCC(=O)Nc1ncc2C(=O)C[C@@H](Cc2n1)[*:1]
CCCCCC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C)cc1)CC2=O CCC[*:1] Cc1ccc(cc1)[C@@H]1CC(=O)c2cnc(nc2C1)NC(=O)CC[*:1]
CCCCCC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C)cc1)CC2=O CCCCCC(=O)N[*:1] Cc1ccc(cc1)[C@@H]1CC(=O)c2cnc(nc2C1)[*:1]
COc1ccc(F)cc1NC(=O)N(C)Cc1ccoc1C Cc1occc1[*:1] COc1ccc(F)cc1NC(=O)N(C)C[*:1]
COc1ccc(F)cc1NC(=O)N(C)Cc1ccoc1C Cc1occc1C[*:1] COc1ccc(F)cc1NC(=O)N(C)[*:1]
CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cccc(c1)[*:1]
Cn1cc(/C=C/C(=O)C(F)(F)F)c2ccccc21 O=C(C(F)(F)F)[*:1] Cn1cc(C=C[*:1])c2ccccc21
Cn1cc(/C=C/C(=O)C(F)(F)F)c2ccccc21 FC(F)(F)[*:1] Cn1cc(/C=C/C(=O)[*:1])c2ccccc21
Cc1cc(C)cc(OCCNC(=O)c2ccc(F)nc2)c1 Fc1ccc(cn1)[*:1] Cc1cc(C)cc(c1)OCCNC(=O)[*:1]
CN1C(=O)C(=O)N(CN2CCc3sccc3[C@H]2c2ccccc2)C1=O c1ccc(cc1)[*:1] CN1C(=O)C(=O)N(CN2CCc3sccc3[C@@H]2[*:1])C1=O
CNC(=O)c1ccc(N2CCC[C@H](c3nc(C)no3)C2)nn1 CNC(=O)[*:1] Cc1noc(n1)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
CNC(=O)c1ccc(N2CCC[C@H](c3nc(C)no3)C2)nn1 Cc1noc(n1)[*:1] CNC(=O)c1ccc(nn1)N1CCC[C@H](C1)[*:1]
Cn1c(C2=C(N)N(c3ccc(C(N)=O)cc3)CC2=O)nc2ccccc21 NC(=O)[*:1] Cn1c(nc2ccccc21)C1C(=O)CN(C=1N)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)c(O)c1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)N2CC=C(CC2)[*:1])c(O)c1
Cc1cc(CNc2nc(-c3ccco3)nc3c2CC[NH+](C)CC3)n(C)n1 Cc1cc(n(C)n1)[*:1] C[NH+]1CCc2nc(nc(NC[*:1])c2CC1)-c1ccco1
Cc1cc(CNc2nc(-c3ccco3)nc3c2CC[NH+](C)CC3)n(C)n1 Cc1cc(C[*:1])n(C)n1 C[NH+]1CCc2nc(nc(N[*:1])c2CC1)-c1ccco1
Cc1cc(CNc2nc(-c3ccco3)nc3c2CC[NH+](C)CC3)n(C)n1 c1coc(c1)[*:1] Cc1cc(CNc2nc(nc3CC[NH+](C)CCc32)[*:1])n(C)n1
Cc1ccc(NC(=O)c2ccoc2)c2cccnc12 c1cc(co1)[*:1] Cc1ccc(NC(=O)[*:1])c2cccnc12
Cc1nc2cc(NC=C(C#N)C#N)ccc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2cc(ccc2n1[*:1])NC=C(C#N)C#N
Cc1nc2cc(NC=C(C#N)C#N)ccc2n1-c1ccccc1 N#CC(C#N)=C[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)N[*:1]
Cc1nc2cc(NC=C(C#N)C#N)ccc2n1-c1ccccc1 N#CC(C#N)=CN[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)[*:1]
COCc1c(Br)cccc1NC(=O)c1c(C)noc1C COC[*:1] Cc1noc(C)c1C(=O)Nc1cccc(Br)c1[*:1]
O=C(CSc1nnnn1-c1cccnc1)Nc1ccc(F)cc1 c1cncc(c1)[*:1] O=C(CSc1nnnn1[*:1])Nc1ccc(F)cc1
O=C(CSc1nnnn1-c1cccnc1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnnn1-c1cccnc1)N[*:1]
CCc1ccc(CC)c(NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1 c1cnc(nc1)[*:1] CCc1ccc(CC)c(c1)NC(=O)NC[C@@H]1CCCN(C1)[*:1]
CC(=O)c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(F)c1 CC(=O)[*:1] Fc1cc(ccc1N1CC[NH+](CC1)C[C@H]1CCOC1)[*:1]
Cc1nc(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c(C)s2)no1 Cc1nc(no1)[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)Nc1cc(sc1C)[*:1]
Cc1nc(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c(C)s2)no1 c1coc(c1)[*:1] Cc1nc(no1)-c1cc(NC(=O)c2ccc(C)c(c2)NC(=O)[*:1])c(C)s1
Cc1nc(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c(C)s2)no1 O=C(N[*:1])c1ccco1 Cc1nc(no1)-c1cc(NC(=O)c2ccc(C)c(c2)[*:1])c(C)s1
C=CCC[C@H](O)c1ccc(F)cn1 C=CC[*:1] O[C@@H](C[*:1])c1ccc(F)cn1
C=CCC[C@H](O)c1ccc(F)cn1 C=CCC[*:1] O[C@H](c1ccc(F)cn1)[*:1]
O=C([O-])C[C@H]1C(=O)Nc2ccccc21 O=C([O-])[*:1] O=C1Nc2ccccc2[C@H]1C[*:1]
O=C([O-])C[C@H]1C(=O)Nc2ccccc21 O=C([O-])C[*:1] O=C1Nc2ccccc2[C@H]1[*:1]
Cc1cccc(NC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(c1=O)[*:1]
Cc1cccc(NC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)Cn1c(=O)c2c(ncn2[*:1])n(Cc2ccccc2)c1=O
Cc1cccc(NC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(C[*:1])c1=O
Cc1cccc(NC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)c1 Cc1cccc(c1)[*:1] O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)N[*:1]
Cc1cccc(NC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)c1 Cc1cccc(c1)NC(=O)[*:1] O=c1c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c(=O)n1C[*:1]
Cc1cccc(NC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)Cn1c(=O)c2c(ncn2C[*:1])n(Cc2ccccc2)c1=O
Cc1cccc(NC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)c1 Cc1cccc(c1)NC(=O)C[*:1] O=c1c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c(=O)n1[*:1]
CC(C)NC(=O)Cc1cccc(CNC(=O)c2cc3c(s2)SCC3)c1 CC(C)NC(=O)C[*:1] O=C(NCc1cccc(c1)[*:1])c1cc2CCSc2s1
CC(C)NC(=O)Cc1cccc(CNC(=O)c2cc3c(s2)SCC3)c1 CC(C)NC(=O)[*:1] O=C(NCc1cccc(c1)C[*:1])c1cc2CCSc2s1
CC(C)NC(=O)Cc1cccc(CNC(=O)c2cc3c(s2)SCC3)c1 CC(C)[*:1] O=C(Cc1cccc(c1)CNC(=O)c1cc2CCSc2s1)N[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)O[C@@H](C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)O[C@@H](C)[*:1]
CC(C)Cc1cc(C(=O)NC[C@H](c2ccccn2)N2CCOCC2)n(C)n1 CC(C)C[*:1] Cn1nc(cc1C(=O)NC[C@H](c1ccccn1)N1CCOCC1)[*:1]
CC(C)Cc1cc(C(=O)NC[C@H](c2ccccn2)N2CCOCC2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)NC[C@H](c1ccccn1)N1CCOCC1)C[*:1]
CC(C)Cc1cc(C(=O)NC[C@H](c2ccccn2)N2CCOCC2)n(C)n1 C1CN(CCO1)[*:1] CC(C)Cc1cc(C(=O)NC[C@H](c2ccccn2)[*:1])n(C)n1
CC(C)Cc1cc(C(=O)NC[C@H](c2ccccn2)N2CCOCC2)n(C)n1 c1ccc(nc1)[*:1] CC(C)Cc1cc(C(=O)NC[C@H](N2CCOCC2)[*:1])n(C)n1
O=S(=O)([N-]Cc1cccnc1OC1CCCC1)c1cccc2nsnc12 C1CCC(C1)O[*:1] O=S(=O)([N-]Cc1cccnc1[*:1])c1cccc2nsnc12
O=S(=O)([N-]Cc1cccnc1OC1CCCC1)c1cccc2nsnc12 C1CCC(C1)[*:1] O=S(=O)([N-]Cc1cccnc1O[*:1])c1cccc2nsnc12
COC[C@H](C)Nc1nc2c(Cl)c(C)nn2c2ccccc12 COC[*:1] Cc1nn2c(nc(N[C@@H](C)[*:1])c3ccccc32)c1Cl
COC[C@H](C)Nc1nc2c(Cl)c(C)nn2c2ccccc12 COC[C@H](C)[*:1] Cc1nn2c(nc(N[*:1])c3ccccc32)c1Cl
COC[C@H](C)Nc1nc2c(Cl)c(C)nn2c2ccccc12 COC[C@H](C)N[*:1] Cc1nn2c(nc(c3ccccc32)[*:1])c1Cl
CNC(=O)c1cccc(OCc2ccc(F)cc2)c1 CNC(=O)[*:1] Fc1ccc(cc1)COc1cccc(c1)[*:1]
Cc1cc(CN2CCOC[C@H]2CC(C)C)c(C)o1 CC(C)[*:1] Cc1cc(CN2CCOC[C@H]2C[*:1])c(C)o1
Cc1cc(CN2CCOC[C@H]2CC(C)C)c(C)o1 CC(C)C[*:1] Cc1cc(CN2CCOC[C@@H]2[*:1])c(C)o1
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]CC1(O)CCCCC1)CC2 c1coc(c1)C[*:1] CN(C(=O)c1nn(C)c2CC[C@@H](Cc12)[NH2+]CC1(O)CCCCC1)[*:1]
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]CC1(O)CCCCC1)CC2 OC1(CCCCC1)C[*:1] CN(Cc1ccco1)C(=O)c1nn(C)c2CC[C@@H](Cc12)[NH2+][*:1]
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]CC1(O)CCCCC1)CC2 OC1(CCCCC1)[*:1] CN(Cc1ccco1)C(=O)c1nn(C)c2CC[C@@H](Cc12)[NH2+]C[*:1]
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]CC1(O)CCCCC1)CC2 c1coc(c1)[*:1] CN(C[*:1])C(=O)c1nn(C)c2CC[C@@H](Cc12)[NH2+]CC1(O)CCCCC1
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nc(C)c(C)s1)[C@H]3c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nc(C)c(C)s1)[C@@H]3[*:1]
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nc(C)c(C)s1)[C@H]3c1cccc(Cl)c1 Cc1nc(sc1C)[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N([C@H]3c1cccc(Cl)c1)[*:1]
C[C@@H](OCc1ccccc1)C(=O)N1CCN(c2nccs2)CC1 c1ccc(cc1)[*:1] C[C@@H](OC[*:1])C(=O)N1CCN(CC1)c1nccs1
C[C@@H](OCc1ccccc1)C(=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] C[C@@H](OCc1ccccc1)C(=O)N1CCN(CC1)[*:1]
C[C@@H](OCc1ccccc1)C(=O)N1CCN(c2nccs2)CC1 c1ccc(cc1)C[*:1] C[C@@H](O[*:1])C(=O)N1CCN(CC1)c1nccs1
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccccc1F Fc1ccccc1[*:1] CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[*:1]
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccccc1F Fc1ccc(cc1)[*:1] CCN(CC(=O)NC[*:1])C(=O)c1ccccc1F
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccccc1F Fc1ccc(cc1)C[*:1] CCN(CC(=O)N[*:1])C(=O)c1ccccc1F
O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(F)c3)C2)c2ncccc12 Fc1cccc(c1)[*:1] O=[N+]([O-])c1ccc(c2ncccc12)N1CCO[C@H](C1)[*:1]
O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(F)c3)C2)c2ncccc12 O=[N+]([O-])[*:1] Fc1cccc(c1)[C@@H]1CN(CCO1)c1ccc(c2cccnc12)[*:1]
CC(C)[C@@H](CCNC(=O)N1C[C@@H](C)[C@H](C)C1)CCC(=O)[O-] CC(C)[*:1] C[C@@H]1CN(C[C@H]1C)C(=O)NCC[C@@H](CCC(=O)[O-])[*:1]
CC(C)[C@@H](CCNC(=O)N1C[C@@H](C)[C@H](C)C1)CCC(=O)[O-] O=C([O-])CC[*:1] CC(C)[C@@H](CCNC(=O)N1C[C@@H](C)[C@H](C)C1)[*:1]
CC(C)[C@@H](CCNC(=O)N1C[C@@H](C)[C@H](C)C1)CCC(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](CCNC(=O)N1C[C@@H](C)[C@H](C)C1)CC[*:1]
CC(C)[C@@H](CCNC(=O)N1C[C@@H](C)[C@H](C)C1)CCC(=O)[O-] O=C([O-])C[*:1] CC(C)[C@@H](CCNC(=O)N1C[C@@H](C)[C@H](C)C1)C[*:1]
C[C@H]1C[C@H]1C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C Clc1ccc(cc1)[*:1] C[C@H]1C[C@H]1C(=O)Nc1c(c(nn1C)C(F)(F)F)[*:1]
C[C@H]1C[C@H]1C(=O)Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1C FC(F)(F)[*:1] C[C@H]1C[C@H]1C(=O)Nc1c(-c2ccc(Cl)cc2)c(nn1C)[*:1]
CC(C)(C)NC(=O)Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2ccccc21 CC(C)(C)NC(=O)[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])[C@@H]1CCCO1
CC(C)(C)NC(=O)Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2ccccc21 CC(C)(C)NC(=O)C[*:1] O=C(NCCc1nc2ccccc2n1[*:1])[C@@H]1CCCO1
CC(C)(C)NC(=O)Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2ccccc21 CC(C)(C)[*:1] O=C(Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2ccccc21)N[*:1]
O=C(NCc1cccnc1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 c1cncc(c1)[*:1] O=C(NC[*:1])Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
O=C(NCc1cccnc1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 c1cncc(c1)C[*:1] O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)N[*:1]
O=C(NCc1cccnc1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 O=C(N[*:1])c1ccco1 O=C(NCc1cccnc1)Nc1ccc(c(Cl)c1)[*:1]
O=C(NCc1cccnc1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 c1coc(c1)[*:1] O=C(NCc1cccnc1)Nc1ccc(NC(=O)[*:1])c(Cl)c1
Cc1cccc(N2CCN(CC(=O)c3c(C)n(C)c4ccccc34)CC2)c1C Cc1cccc(c1C)[*:1] Cc1c(C(=O)CN2CCN(CC2)[*:1])c2ccccc2n1C
CC(C)[C@H](C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 CC(C)[*:1] C[C@H]([NH2+]C[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
CC(C)[C@H](C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 CC(C)[C@H](C)[*:1] CS(=O)(=O)N1CCC[C@@H](C[NH2+][*:1])C1
CCC(CC)[NH+](C)CC1(CS)CCCCC1 CCC(CC)[*:1] C[NH+](CC1(CS)CCCCC1)[*:1]
CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CSCC(F)(F)F)CC1 FC(F)(F)[*:1] CN1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)CSC[*:1]
CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CSCC(F)(F)F)CC1 FC(F)(F)CS[*:1] CN1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)C[*:1]
CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CSCC(F)(F)F)CC1 FC(F)(F)C[*:1] CN1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)CS[*:1]
CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CSCC(F)(F)F)CC1 FC(F)(F)CSC[*:1] CN1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)s1 c1ccc(cc1)[*:1] CC[C@@H](c1nnc(NC(=O)c2ccc(c(c2)[N+](=O)[O-])-n2ccnc2)s1)[*:1]
CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(c(c2)[*:1])-n2ccnc2)s1
CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)s1 c1cn(cn1)[*:1] CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(c(c2)[N+](=O)[O-])[*:1])s1
O=C(Nc1ccc2c(c1)CCC2)c1ccc(CNC(=O)C2CCCC2)cc1 O=C(N[*:1])C1CCCC1 O=C(Nc1ccc2CCCc2c1)c1ccc(cc1)C[*:1]
O=C(Nc1ccc2c(c1)CCC2)c1ccc(CNC(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] O=C(Nc1ccc2CCCc2c1)c1ccc(cc1)CNC(=O)[*:1]
O=C(Nc1ccc2c(c1)CCC2)c1ccc(CNC(=O)C2CCCC2)cc1 O=C(NC[*:1])C1CCCC1 O=C(Nc1ccc2CCCc2c1)c1ccc(cc1)[*:1]
O=C(Nc1ccc2c(c1)CCC2)c1ccc(CNC(=O)C2CCCC2)cc1 c1cc2CCCc2cc1[*:1] O=C(N[*:1])c1ccc(cc1)CNC(=O)C1CCCC1
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)c(c1)[*:1]
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])c1cc(ccc1Cl)[*:1] O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)[*:1]
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(/C=C/c1cn(C[*:1])nc1-c1cccnc1)c1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 c1cncc(c1)[*:1] O=C(/C=C/c1cn(Cc2ccccc2)nc1[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] O=C(/C=C/c1cn(nc1-c1cccnc1)[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
CCOc1ncnc(N[C@@H]2C=C[C@H](C(=O)[O-])C2)c1C CCO[*:1] Cc1c(ncnc1[*:1])N[C@@H]1C=C[C@@H](C1)C(=O)[O-]
CCOc1ncnc(N[C@@H]2C=C[C@H](C(=O)[O-])C2)c1C O=C([O-])[*:1] CCOc1ncnc(N[C@@H]2C=C[C@H](C2)[*:1])c1C
CCN(C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)c1cc(C)ccc1C CN(C)S(=O)(=O)[*:1] CCN(C(=O)c1cc(c(C)o1)[*:1])c1cc(C)ccc1C
CCN(C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)c1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CCN(C(=O)c1cc(c(C)o1)S(=O)(=O)N(C)C)[*:1]
C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc2OCCCOc2c1)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)NCCCO[C@H]1CCCc2ccccc21 c1ccc(nc1)[*:1] C[C@H](N(C)C(=O)NCCCO[C@H]1CCCc2ccccc21)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)NCCCO[C@H]1CCCc2ccccc21 C[C@H](c1ccccn1)[*:1] CN(C(=O)NCCCO[C@H]1CCCc2ccccc21)[*:1]
O=C(Nc1ccccc1-c1ccccc1)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(Nc1ccccc1-c1ccccc1)c1ccc(cc1)C[*:1]
O=C(Nc1ccccc1-c1ccccc1)c1ccc(CN2CCOCC2)cc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)CN1CCOCC1
O=C(Nc1ccccc1-c1ccccc1)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=C(Nc1ccccc1-c1ccccc1)c1ccc(cc1)[*:1]
Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1cccs1 c1csc(c1)[*:1] Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)[*:1]
O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccc(F)c1 C1CN(CCO1)C[*:1] O=C(Nc1ccc(Cl)cc1)N(CC[*:1])Cc1cccc(F)c1
O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccc(F)c1 C1CN(CCO1)CC[*:1] O=C(Nc1ccc(Cl)cc1)N(Cc1cccc(F)c1)C[*:1]
O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccc(F)c1 C1CN(CCO1)[*:1] O=C(Nc1ccc(Cl)cc1)N(CCC[*:1])Cc1cccc(F)c1
O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccc(F)c1 C(CN1CCOCC1)C[*:1] O=C(Nc1ccc(Cl)cc1)N(Cc1cccc(F)c1)[*:1]
O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)C[*:1]
O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccc(F)c1 Clc1ccc(cc1)[*:1] O=C(N[*:1])N(CCCN1CCOCC1)Cc1cccc(F)c1
O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)[*:1]
CC[C@@H](CC(N)=[NH2+])N1CCN(c2nccs2)CC1 NC(=[NH2+])C[*:1] CC[C@@H](N1CCN(CC1)c1nccs1)[*:1]
CC[C@@H](CC(N)=[NH2+])N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] CC[C@@H](CC(N)=[NH2+])N1CCN(CC1)[*:1]
Nn1c(N/N=C/c2ccco2)nnc1SCC(=O)Nc1ccc(F)cc1F c1coc(c1)[*:1] Nn1c(nnc1SCC(=O)Nc1ccc(F)cc1F)NN=C[*:1]
Nn1c(N/N=C/c2ccco2)nnc1SCC(=O)Nc1ccc(F)cc1F C(=N/N[*:1])\c1ccco1 Nn1c(nnc1[*:1])SCC(=O)Nc1ccc(F)cc1F
Nn1c(N/N=C/c2ccco2)nnc1SCC(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Nn1c(nnc1SCC(=O)N[*:1])N/N=C/c1ccco1
O=C(NCCc1ccncc1)Nc1nncs1 c1nnc(s1)[*:1] O=C(NCCc1ccncc1)N[*:1]
CC[C@@H](C)C[NH2+][C@H](C)C(=O)N1CCc2ccccc21 CC[C@@H](C)[*:1] C[C@@H]([NH2+]C[*:1])C(=O)N1CCc2ccccc21
Cc1nnc(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nnc(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)n1[*:1]
Cc1nnc(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)n1C[*:1]
COc1ccc([C@@H](CNC(=O)CN2C(=O)CCOc3ccccc32)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)CN1C(=O)CCOc2ccccc21)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1ccc(C(=O)c2cc[nH]c2)cc1 C=CC[*:1] O=C(c1ccc(cc1)/C([O-])=N/S(=O)(=O)[*:1])c1cc[nH]c1
C=CCS(=O)(=O)/N=C(\[O-])c1ccc(C(=O)c2cc[nH]c2)cc1 c1cc(c[nH]1)[*:1] C=CCS(=O)(=O)/N=C(\[O-])c1ccc(cc1)C(=O)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1ccc(C(=O)c2cc[nH]c2)cc1 O=C(c1cc[nH]c1)[*:1] C=CCS(=O)(=O)/N=C(\[O-])c1ccc(cc1)[*:1]
O=C(C[C@H]1[NH+]=NC(=O)c2ccccc21)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-] O=C([O-])[*:1] O=C(C[C@H]1[NH+]=NC(=O)c2ccccc21)N[C@@H](CC1C[NH+]=c2ccccc2=1)[*:1]
NS(=O)(=O)c1ccc(CCNc2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 NS(=O)(=O)[*:1] O=C(c1cc(nc2ccccc12)NCCc1ccc(cc1)[*:1])N1CCOCC1
NS(=O)(=O)c1ccc(CCNc2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(c1cc(nc2ccccc12)NCC[*:1])N1CCOCC1
NS(=O)(=O)c1ccc(CCNc2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 O=C(N1CCOCC1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNc1cc(c2ccccc2n1)[*:1]
COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)CN(Cc1ccco1)C(=O)[*:1]
COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)CN(C(=O)c1ccc(Cl)cc1)[*:1]
COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)CN(C[*:1])C(=O)c1ccc(Cl)cc1
COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1)N(Cc1ccco1)C[*:1]
O=C(Nc1ccn(-c2ncccc2Cl)n1)N1CC[C@@H]([N+]2=CCCC2)C1 Clc1cccnc1[*:1] O=C(Nc1ccn(n1)[*:1])N1CC[C@H](C1)[N+]1=CCCC1
COc1ccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccc(Cl)cc4F)c3C2=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1nn(-c2ccc(Cl)cc2F)c2ncc3C(=O)N(C(=O)c3c12)[*:1]
COc1ccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccc(Cl)cc4F)c3C2=O)c(OC)c1 Fc1cc(Cl)ccc1[*:1] COc1ccc(c(c1)OC)N1C(=O)c2cnc3c(c(C)nn3[*:1])c2C1=O
Cc1cccc2c1cc(C(=O)N1CC[C@@]3(CCCN(C(C)C)C3=O)C1)n2C CC(C)[*:1] Cc1cccc2c1cc(C(=O)N1CC[C@@]3(CCCN(C3=O)[*:1])C1)n2C
CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1 FC(F)(F)[*:1] CC(C)(CNC(=O)c1ccc(cc1)[*:1])[NH+]1CCCCC1
Cc1noc(C)c1CC(=O)N1CCN(C(=O)/C=C/C2CC2)CC1 C1CC1[*:1] Cc1noc(C)c1CC(=O)N1CCN(CC1)C(=O)C=C[*:1]
Cc1noc(C)c1CC(=O)N1CCN(C(=O)/C=C/C2CC2)CC1 Cc1noc(C)c1[*:1] O=C(/C=C/C1CC1)N1CCN(CC1)C(=O)C[*:1]
Cc1noc(C)c1CC(=O)N1CCN(C(=O)/C=C/C2CC2)CC1 C(=C[*:1])C1CC1 Cc1noc(C)c1CC(=O)N1CCN(CC1)C(=O)[*:1]
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)C[C@H](C)O1 Cc1nc(n[nH]1)[*:1] CC[C@@H]1CN(C[C@H](C)O1)C(=O)C(=O)Nc1cccc(c1)[*:1]
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(OCC)ccc2nc1Cl CCO[*:1] C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(ccc2nc1Cl)[*:1]
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(OCC)ccc2nc1Cl C=CC[*:1] CCOc1ccc2nc(Cl)c(cc2c1)[C@@H]1C(C#N)=C(N)OC(C)=C1C(=O)O[*:1]
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(OCC)ccc2nc1Cl C=CCOC(=O)[*:1] CCOc1ccc2nc(Cl)c(cc2c1)[C@@H]1C(C#N)=C(N)OC(C)=C1[*:1]
NS(=O)(=O)c1ccc(NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1 NS(=O)(=O)[*:1] S=C(Nc1ccc(cc1)[*:1])Nc1cc(Cl)c(Cl)cc1Cl
C[C@H](CO)CSCc1ccc(C#CCCO)cc1F C[C@H](CO)CS[*:1] OCCC#Cc1ccc(C[*:1])c(F)c1
C[C@H](CO)CSCc1ccc(C#CCCO)cc1F C[C@H](CO)C[*:1] OCCC#Cc1ccc(CS[*:1])c(F)c1
C[C@H](CO)CSCc1ccc(C#CCCO)cc1F C[C@H](CO)[*:1] OCCC#Cc1ccc(CSC[*:1])c(F)c1
C[C@H](CO)CSCc1ccc(C#CCCO)cc1F OCCC#C[*:1] C[C@H](CO)CSCc1ccc(cc1F)[*:1]
C[C@H](CO)CSCc1ccc(C#CCCO)cc1F OCC[*:1] C[C@H](CO)CSCc1ccc(C#C[*:1])cc1F
O=C(Nc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ncc(s1)[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1)c1ccccc1 O=[N+]([O-])c1cnc(s1)[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1
O=C(Nc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1)c1ccccc1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)C(=O)Nc1ncc(s1)[*:1])c1ccccc1
O=C(Nc1cccc(Cl)c1)c1c[nH]c2ccc(F)cc2c1=O Clc1cccc(c1)[*:1] O=C(N[*:1])c1c[nH]c2ccc(F)cc2c1=O
CCc1nn(C)cc1NC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)C(=O)N[*:1] CCc1nn(C)cc1NC(=O)N1CCC[C@@H](C1)C[*:1]
CCc1nn(C)cc1NC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)C(=O)NC[*:1] CCc1nn(C)cc1NC(=O)N1CCC[C@H](C1)[*:1]
CCc1nn(C)cc1NC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CCc1nn(C)cc1[*:1] CC(C)(C)C(=O)NC[C@H]1CCCN(C1)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)[*:1] CCc1nn(C)cc1NC(=O)N1CCC[C@H](CNC(=O)[*:1])C1
Cn1c(=O)n(CC(=O)NCCc2ccc(O)cc2)c2ccccc21 Oc1ccc(cc1)C[*:1] Cn1c(=O)n(CC(=O)NC[*:1])c2ccccc21
Cn1c(=O)n(CC(=O)NCCc2ccc(O)cc2)c2ccccc21 Oc1ccc(cc1)[*:1] Cn1c(=O)n(CC(=O)NCC[*:1])c2ccccc21
[NH3+]C[C@H](c1ccc(OCc2ccccc2)cc1)C1(O)CCCCC1 OC1(CCCCC1)[*:1] [NH3+]C[C@H](c1ccc(cc1)OCc1ccccc1)[*:1]
[NH3+]C[C@H](c1ccc(OCc2ccccc2)cc1)C1(O)CCCCC1 c1ccc(cc1)[*:1] [NH3+]C[C@H](c1ccc(cc1)OC[*:1])C1(O)CCCCC1
[NH3+]C[C@H](c1ccc(OCc2ccccc2)cc1)C1(O)CCCCC1 c1ccc(cc1)C[*:1] [NH3+]C[C@H](c1ccc(cc1)O[*:1])C1(O)CCCCC1
[NH3+]C[C@H](c1ccc(OCc2ccccc2)cc1)C1(O)CCCCC1 c1ccc(cc1)CO[*:1] [NH3+]C[C@H](c1ccc(cc1)[*:1])C1(O)CCCCC1
O=C(N[C@H](CO)c1ccco1)c1cccc(CN2CCOCC2)c1 C1CN(CCO1)C[*:1] O=C(N[C@H](CO)c1ccco1)c1cccc(c1)[*:1]
O=C(N[C@H](CO)c1ccco1)c1cccc(CN2CCOCC2)c1 c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1cccc(c1)CN1CCOCC1
O=C(N[C@H](CO)c1ccco1)c1cccc(CN2CCOCC2)c1 C1CN(CCO1)[*:1] O=C(N[C@H](CO)c1ccco1)c1cccc(c1)C[*:1]
O=CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] O=CN1CCN(CC1)c1cccc(c1)[*:1]
Cc1nc(CN[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)no1 Cc1nc(no1)[*:1] Clc1ccc(cc1Cl)[C@@H](NC[*:1])c1ccccc1
Cc1nc(CN[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)no1 Cc1nc(C[*:1])no1 Clc1ccc(cc1Cl)[C@@H](N[*:1])c1ccccc1
Cc1nc(CN[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)no1 c1ccc(cc1)[*:1] Cc1nc(CN[C@@H](c2ccc(Cl)c(Cl)c2)[*:1])no1
CC1(C)CN(CCC(=O)Nc2ccccc2F)CC[S@]1=O Fc1ccccc1[*:1] CC1(C)CN(CCC(=O)N[*:1])CC[S@]1=O
Cc1cc([C@@H](C)NC(=O)Cc2cccc(OCC#N)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H](NC(=O)Cc1cccc(c1)OCC#N)[*:1]
Cc1cc([C@@H](C)NC(=O)Cc2cccc(OCC#N)c2)c(C)s1 N#CC[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)Cc1cccc(c1)O[*:1]
Cc1cc([C@@H](C)NC(=O)Cc2cccc(OCC#N)c2)c(C)s1 N#CCO[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)Cc1cccc(c1)[*:1]
O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccc2OCOc2c1)N[*:1]
Cc1noc(C)c1S(=O)(=O)Nc1ccccc1-c1nc2ccccc2s1 Cc1noc(C)c1[*:1] O=S(=O)(Nc1ccccc1-c1nc2ccccc2s1)[*:1]
Cc1ccccc1C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 Cc1ccccc1[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)[*:1])-c1cccnc1
Cc1ccccc1C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 CN(C)[*:1] Cc1ccccc1C(=O)N1CCc2c(C1)nc(nc2[*:1])-c1cccnc1
Cc1ccccc1C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 c1cncc(c1)[*:1] Cc1ccccc1C(=O)N1CCc2c(C1)nc(nc2N(C)C)[*:1]
O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 Fc1cc(ccc1Cl)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)Nc1ccccc1F
O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 Fc1ccccc1[*:1] O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1ccccc1CCN(C)Cc1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] COc1ccccc1CCN(C)Cc1cnc(s1)[*:1]
COc1ccccc1CCN(C)Cc1cnc(-c2ccccn2)s1 COc1ccccc1[*:1] CN(CC[*:1])Cc1cnc(s1)-c1ccccn1
Cc1cc(NC(=O)[C@@H](C)N2CCc3c([nH+]cn3C3CC3)C2)no1 C1CC1[*:1] Cc1cc(no1)NC(=O)[C@@H](C)N1CCc2c(C1)[nH+]cn2[*:1]
Cc1cc(NC(=O)[C@@H](C)N2CCc3c([nH+]cn3C3CC3)C2)no1 Cc1cc(no1)[*:1] C[C@H](C(=O)N[*:1])N1CCc2c(C1)[nH+]cn2C1CC1
C[C@H](c1ccccc1)n1ccc(NC(=O)c2cn(C)nc2-c2cccs2)n1 c1csc(c1)[*:1] C[C@H](c1ccccc1)n1ccc(n1)NC(=O)c1cn(C)nc1[*:1]
C[C@H](c1ccccc1)n1ccc(NC(=O)c2cn(C)nc2-c2cccs2)n1 C[C@H](c1ccccc1)[*:1] Cn1cc(C(=O)Nc2ccn(n2)[*:1])c(n1)-c1cccs1
C[C@H](c1ccccc1)n1ccc(NC(=O)c2cn(C)nc2-c2cccs2)n1 c1ccc(cc1)[*:1] C[C@H](n1ccc(n1)NC(=O)c1cn(C)nc1-c1cccs1)[*:1]
COc1c(Cl)cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1Cl c1ncn(n1)[*:1] COc1c(Cl)cc(cc1Cl)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCN3C(=O)c4ccccc4C3=O)cc12 Clc1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)OCN1C(=O)c2ccccc2C1=O)[*:1]
Cc1cc(C)cc(OCCC(=O)Nc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)OCCC(=O)N[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCc2ccccc2C1 Oc1ccc(cc1)[*:1] C[C@@H](C[*:1])NC(=O)N1CCc2ccccc2C1
CN(C(=O)NCCCC[NH+]1CCCC1)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CN(C(=O)NCCCC[NH+]1CCCC1)C1CCN(CC1)[*:1]
CN(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)COc1ccc(Cl)cc1
C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)[*:1]
Cc1ccc([C@@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@@H]1CN(CCO1)Cc1c[nH]nc1[*:1]
Cc1ccc([C@@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)o1 Cc1ccc(o1)[*:1] c1ccc(cc1)-c1n[nH]cc1CN1CCO[C@@H](C1)[*:1]
C[C@H](NCCc1nccn1Cc1ccccc1)c1nc2ccccc2n1C c1ccc(cc1)[*:1] C[C@H](NCCc1nccn1C[*:1])c1nc2ccccc2n1C
C[C@H](NCCc1nccn1Cc1ccccc1)c1nc2ccccc2n1C c1ccc(cc1)C[*:1] C[C@H](NCCc1nccn1[*:1])c1nc2ccccc2n1C
O=C(NCc1ccc(OC2CCCCC2)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 Fc1ccc(F)c(c1)[*:1] O=C(NCc1ccc(cc1)OC1CCCCC1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCc1ccc(OC2CCCCC2)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 C1CCC(CC1)O[*:1] O=C(NCc1ccc(cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1cc(F)ccc1F
O=C(NCc1ccc(OC2CCCCC2)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 C1CCC(CC1)[*:1] O=C(NCc1ccc(cc1)O[*:1])C1CCN(CC1)S(=O)(=O)c1cc(F)ccc1F
C=CCn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 C=CC[*:1] O=C1C[C@H](CN1c1cccc(c1)C(F)(F)F)c1nc2ccccc2n1[*:1]
C=CCn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 FC(F)(F)[*:1] C=CCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccco1 C1CCC(C1)[*:1] Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)N[*:1])c1ccco1
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccco1 NC(=O)[*:1] Cc1ccccc1N(C(=O)c1snc(c1N)[*:1])[C@@H](C(=O)NC1CCCC1)c1ccco1
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccco1 O=C(NC1CCCC1)[*:1] Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](c1ccco1)[*:1]
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccco1 Cc1ccccc1[*:1] NC(=O)c1nsc(C(=O)N([C@@H](C(=O)NC2CCCC2)c2ccco2)[*:1])c1N
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccco1 c1coc(c1)[*:1] Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)[*:1]
C[C@H](NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1nccs1 C[C@H](N[*:1])c1nccs1 C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[*:1]
C[C@H](NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1nccs1 c1csc(n1)[*:1] C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN[C@@H](C)[*:1]
C[C@H](NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1nccs1 C[C@H](c1nccs1)[*:1] C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN[*:1]
C[C@H](NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1nccs1 CC(C)(C)[*:1] C[C@H](NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)O[*:1])c1nccs1
COc1ccc([C@@H](O)[C@H]2CCCN2C(=O)CCc2nc(-c3ccsc3)no2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)[C@@H](O)[C@H]1CCCN1C(=O)CCc1nc(no1)[*:1]
COc1ccc([C@@H](O)[C@H]2CCCN2C(=O)CCc2nc(-c3ccsc3)no2)cc1 COc1ccc(cc1)[*:1] O=C(CCc1nc(no1)-c1ccsc1)N1CCC[C@@H]1[C@H](O)[*:1]
CCCCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCCCC(=O)NNC(=O)c1cccc(c1)[*:1]
CCCCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 CCCC[*:1] CS(=O)(=O)c1cccc(c1)C(=O)NNC(=O)[*:1]
CCCCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 CCC[*:1] CS(=O)(=O)c1cccc(c1)C(=O)NNC(=O)C[*:1]
CCCC[C@@H]1NC(=O)N(Cc2c(F)cccc2Cl)C1=O CCC[*:1] O=C1N[C@@H](C[*:1])C(=O)N1Cc1c(F)cccc1Cl
CCCC[C@@H]1NC(=O)N(Cc2c(F)cccc2Cl)C1=O CCCC[*:1] O=C1N[C@H](C(=O)N1Cc1c(F)cccc1Cl)[*:1]
O=C(c1ccc(N2CCCC2)nc1)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(nc1)N1CCCC1)N(Cc1ccccc1)C[*:1]
O=C(c1ccc(N2CCCC2)nc1)N(Cc1ccccc1)Cc1ccccc1 C1CCN(C1)[*:1] O=C(c1ccc(nc1)[*:1])N(Cc1ccccc1)Cc1ccccc1
O=C(c1ccc(N2CCCC2)nc1)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1ccc(nc1)N1CCCC1)N(Cc1ccccc1)[*:1]
O=C(Cc1ccccc1NC(=O)c1cc2cccn2cn1)NCc1cccnc1 c1cncc(c1)[*:1] O=C(Cc1ccccc1NC(=O)c1cc2cccn2cn1)NC[*:1]
O=C(Cc1ccccc1NC(=O)c1cc2cccn2cn1)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(Cc1ccccc1NC(=O)c1cc2cccn2cn1)N[*:1]
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CCC(N)=O)C2=O NC(=O)[*:1] C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC[*:1])C2=O
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CCC(N)=O)C2=O NC(=O)CC[*:1] C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C2=O)[*:1]
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CCC(N)=O)C2=O NC(=O)C[*:1] C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[*:1])C2=O
C[C@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C(=O)NC(C)(C)C Fc1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1cnn(c1)[*:1])C(=O)NC(C)(C)C
C[C@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H]([NH2+]Cc1cnn(c1)-c1ccc(F)cc1)C(=O)N[*:1]
C[C@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H]([NH2+]Cc1cnn(c1)-c1ccc(F)cc1)[*:1]
CCn1cc(NC(=O)C2CC[NH+](Cc3ccc(COC)o3)CC2)cn1 CCn1cc(cn1)[*:1] COCc1ccc(C[NH+]2CCC(CC2)C(=O)N[*:1])o1
CCn1cc(NC(=O)C2CC[NH+](Cc3ccc(COC)o3)CC2)cn1 COCc1ccc(o1)[*:1] CCn1cc(cn1)NC(=O)C1CC[NH+](CC1)C[*:1]
CCn1cc(NC(=O)C2CC[NH+](Cc3ccc(COC)o3)CC2)cn1 COC[*:1] CCn1cc(cn1)NC(=O)C1CC[NH+](CC1)Cc1ccc(o1)[*:1]
O=C(Cc1ccc(F)cc1F)N1CCCC[C@H]1C1OCCO1 C1COC(O1)[*:1] O=C(Cc1ccc(F)cc1F)N1CCCC[C@@H]1[*:1]
CC(C)NC(=O)c1ccc(CBr)cc1 CC(C)[*:1] O=C(N[*:1])c1ccc(cc1)CBr
C/C(=C(\C#N)C(=O)[O-])c1cccc2ccccc12 O=C([O-])[*:1] CC(=C(C#N)[*:1])c1cccc2ccccc12
COC(=O)c1cncc(C(=O)N(C)Cc2nccn2Cc2ccccc2)c1 COC(=O)[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)c1cncc(c1)[*:1]
COC(=O)c1cncc(C(=O)N(C)Cc2nccn2Cc2ccccc2)c1 c1ccc(cc1)[*:1] COC(=O)c1cncc(c1)C(=O)N(C)Cc1nccn1C[*:1]
COC(=O)c1cncc(C(=O)N(C)Cc2nccn2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COC(=O)c1cncc(c1)C(=O)N(C)Cc1nccn1[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)[C@H]1CCCN1C(=O)Cn1cc(cn1)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)cc1 CCO[*:1] O=C(Cn1cc(cn1)[N+](=O)[O-])N1CCC[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)cc1 O=[N+]([O-])c1cnn(c1)[*:1] CCOc1ccc(cc1)[C@H]1CCCN1C(=O)C[*:1]
CCc1ccc2c(COC(=O)[C@@H]3C[C@@H]3c3ccco3)cc(=O)oc2c1 c1coc(c1)[*:1] CCc1ccc2c(cc(=O)oc2c1)COC(=O)[C@@H]1C[C@H]1[*:1]
CCC(CC)(CC)NC(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] CCC(CC)(CC)NC(=O)NC[C@@H]1CC[C@H](O1)[*:1]
COCCC(=O)NCc1cccc2c1OCCO2 COCC[*:1] O=C(NCc1cccc2OCCOc12)[*:1]
COCCC(=O)NCc1cccc2c1OCCO2 COC[*:1] O=C(C[*:1])NCc1cccc2OCCOc12
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(C)c5)CC4)[C@H]3C[C@H]12 Cc1cccc(c1)[*:1] C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(CC4)[*:1])[C@H]3C[C@H]12
COc1cccc(CCNC(=O)N(C)C[C@@H](C)O)c1 C[C@@H](O)[*:1] COc1cccc(c1)CCNC(=O)N(C)C[*:1]
COc1cccc(CCNC(=O)N(C)C[C@@H](C)O)c1 C[C@@H](O)C[*:1] COc1cccc(c1)CCNC(=O)N(C)[*:1]
CCC(CC)c1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)on1 CCC(CC)[*:1] CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(no1)[*:1]
CCc1cccc(NC(=O)[C@H](C)S(=O)(=O)[C@H](C)c2c(F)cccc2F)c1 Fc1cccc(F)c1[*:1] CCc1cccc(c1)NC(=O)[C@H](C)S(=O)(=O)[C@H](C)[*:1]
CCc1cccc(NC(=O)[C@H](C)S(=O)(=O)[C@H](C)c2c(F)cccc2F)c1 CCc1cccc(c1)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)[C@H](C)c1c(F)cccc1F
O=C1NC(=O)/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)N1 Clc1ccc(cc1)[*:1] O=C1NC(=O)/C(=C\c2cc(Br)c(o2)S[*:1])N1
C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1C[C@]1(C)CCCO1 C[C@]1(CCCO1)C[*:1] C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1[*:1]
C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1C[C@]1(C)CCCO1 c1ccc(cc1)C[*:1] C[C@@H]1C[NH2+][C@H](CN1C[C@]1(C)CCCO1)[*:1]
C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1C[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1C[*:1]
C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1C[C@]1(C)CCCO1 c1ccc(cc1)[*:1] C[C@@H]1C[NH2+][C@@H](CN1C[C@]1(C)CCCO1)C[*:1]
CC[NH+](c1ccc(NC(=O)C(C)(C)C)cc1)C(C)C CC(C)[*:1] CC[NH+](c1ccc(cc1)NC(=O)C(C)(C)C)[*:1]
CC[NH+](c1ccc(NC(=O)C(C)(C)C)cc1)C(C)C CC(C)(C)[*:1] CC[NH+](c1ccc(cc1)NC(=O)[*:1])C(C)C
C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2sccc2c1=O C=CC[*:1] O=C(CSc1nc2sccc2c(=O)n1[*:1])Nc1ccc(F)c(F)c1
C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2sccc2c1=O Fc1ccc(cc1F)[*:1] C=CCn1c(nc2sccc2c1=O)SCC(=O)N[*:1]
O=C(CSc1nnc(-c2cccnc2)o1)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] O=C(CSc1nnc(o1)-c1cccnc1)Nc1nnc(s1)[*:1]
O=C(CSc1nnc(-c2cccnc2)o1)Nc1nnc(C(F)(F)F)s1 c1cncc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1nnc(s1)C(F)(F)F
CN(Cc1nnc(C2CC2)n1C)C(=O)[C@H]1Cc2cccc(F)c2O1 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)[C@H]1Cc2cccc(F)c2O1
COc1ccc(CNC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)CNC(=O)[C@H](NC(=O)[*:1])C(C)C
COc1ccc(CNC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)CNC(=O)[C@H](NC(=O)c1ccccc1Cl)[*:1]
COc1ccc(CNC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[*:1]
C[C@H](SCc1ccco1)C(=O)NCCc1c[nH]c2ccccc12 c1coc(c1)[*:1] C[C@H](SC[*:1])C(=O)NCCc1c[nH]c2ccccc12
C[C@H](SCc1ccco1)C(=O)NCCc1c[nH]c2ccccc12 c1coc(c1)CS[*:1] C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[*:1]
C[C@H](SCc1ccco1)C(=O)NCCc1c[nH]c2ccccc12 c1coc(c1)C[*:1] C[C@H](S[*:1])C(=O)NCCc1c[nH]c2ccccc12
CCCC[C@H](C(=O)[O-])[C@](C)(O)c1ccc(F)cc1F CCCC[*:1] C[C@@](O)(c1ccc(F)cc1F)[C@@H](C(=O)[O-])[*:1]
CCCC[C@H](C(=O)[O-])[C@](C)(O)c1ccc(F)cc1F O=C([O-])[*:1] CCCC[C@H]([C@](C)(O)c1ccc(F)cc1F)[*:1]
CCCC[C@H](C(=O)[O-])[C@](C)(O)c1ccc(F)cc1F CCC[*:1] C[C@@](O)(c1ccc(F)cc1F)[C@H](C[*:1])C(=O)[O-]
CC(C)[C@H]1NC(=O)c2ccccc2N(CC(F)F)C1=O CC(C)[*:1] O=C1N[C@@H](C(=O)N(CC(F)F)c2ccccc21)[*:1]
CC(C)[C@H]1NC(=O)c2ccccc2N(CC(F)F)C1=O FC(F)C[*:1] CC(C)[C@H]1NC(=O)c2ccccc2N(C1=O)[*:1]
CC(C)[C@H]1NC(=O)c2ccccc2N(CC(F)F)C1=O FC(F)[*:1] CC(C)[C@H]1NC(=O)c2ccccc2N(C[*:1])C1=O
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O c1ccc(cc1)[*:1] C[C@@]1(CC[*:1])NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O N#CC1(CCCC1)[*:1] C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N[*:1])C1=O
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O c1ccc(cc1)CC[*:1] C[C@]1(NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O)[*:1]
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O c1ccc(cc1)C[*:1] C[C@@]1(C[*:1])NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O
CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 CCO[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(=O)sc2c1
CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 O=c1[nH]c2ccc(cc2s1)[*:1] CCOc1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 CCOc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(=O)sc2c1
O=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1c(CNC(=O)[*:1])nc2ccccc21)N1CCCCCC1
O=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 O=C(Cn1c(C[*:1])nc2ccccc21)N1CCCCCC1
O=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccc(F)cc1 O=C(N1CCCCCC1)[*:1] O=C(NCc1nc2ccccc2n1C[*:1])c1ccc(F)cc1
O=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccc(F)cc1 O=C(C[*:1])N1CCCCCC1 O=C(NCc1nc2ccccc2n1[*:1])c1ccc(F)cc1
COc1ccc([C@@H](CC(=O)[O-])N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)[C@@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
COc1ccc([C@@H](CC(=O)[O-])N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC O=C([O-])C[*:1] COc1ccc(cc1OC)[C@@H](N1C(=O)[C@H]2CC=CC[C@H]2C1=O)[*:1]
C[C@@H]1CN(CC2CCN(/C(=C/C#N)c3ccccc3)CC2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(CC2CCN(CC2)/C(=C/C#N)[*:1])C[C@@H](C)O1
COc1ccccc1Nc1nc(N)nc(CSc2nccc(C)n2)n1 Cc1ccnc(n1)S[*:1] COc1ccccc1Nc1nc(N)nc(C[*:1])n1
COc1ccccc1Nc1nc(N)nc(CSc2nccc(C)n2)n1 Cc1ccnc(n1)[*:1] COc1ccccc1Nc1nc(N)nc(CS[*:1])n1
COc1ccccc1Nc1nc(N)nc(CSc2nccc(C)n2)n1 COc1ccccc1[*:1] Cc1ccnc(n1)SCc1nc(N)nc(n1)N[*:1]
COCC[C@]1(C)CC(=O)NC(=O)[C@H]1c1cccc(C)c1 COCC[*:1] Cc1cccc(c1)[C@@H]1C(=O)NC(=O)C[C@]1(C)[*:1]
COCC[C@]1(C)CC(=O)NC(=O)[C@H]1c1cccc(C)c1 COC[*:1] Cc1cccc(c1)[C@@H]1C(=O)NC(=O)C[C@@]1(C)C[*:1]
CCCn1cc(N)cc1C(=O)N[C@@H](CO)C(C)C CC(C)[*:1] CCCn1cc(N)cc1C(=O)N[C@@H](CO)[*:1]
CCCn1cc(N)cc1C(=O)N[C@@H](CO)C(C)C CCC[*:1] CC(C)[C@H](CO)NC(=O)c1cc(N)cn1[*:1]
CCCn1cc(N)cc1C(=O)N[C@@H](CO)C(C)C CC(C)[C@H](CO)[*:1] CCCn1cc(N)cc1C(=O)N[*:1]
CC(C)S(=O)(=O)[C@@H](C)C(=O)N1CCCC(C)(C)c2ccccc21 CC(C)[*:1] C[C@@H](C(=O)N1CCCC(C)(C)c2ccccc21)S(=O)(=O)[*:1]
CC(C)S(=O)(=O)[C@@H](C)C(=O)N1CCCC(C)(C)c2ccccc21 CC(C)S(=O)(=O)[*:1] C[C@@H](C(=O)N1CCCC(C)(C)c2ccccc21)[*:1]
O=C(Nc1nnc2ccccn12)c1sccc1Br Brc1ccsc1[*:1] O=C(Nc1nnc2ccccn12)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H]2CCCn3c(C)nnc32)n1 Cc1cc(C)n(C[*:1])n1 Cc1nnc2[C@H](CCCn12)NC(=O)NC[C@@H](C)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H]2CCCn3c(C)nnc32)n1 Cc1cc(C)n(n1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)NC[C@@H](C)C[*:1]
CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)[*:1]
CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl COc1ccccc1[*:1] CCNC(=O)CN(S(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl CCNC(=O)C[*:1] COc1ccccc1N(S(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl CCNC(=O)[*:1] COc1ccccc1N(C[*:1])S(=O)(=O)c1cc(Cl)ccc1Cl
Cc1ccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)coc2c1 Cc1ccc2c(coc2c1)[*:1] O=C(C[*:1])NCc1ccc(cc1)S(=O)(=O)N1CCCCC1
Cc1ccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)coc2c1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc2c(coc2c1)CC(=O)NCc1ccc(cc1)[*:1]
CN[C@H](c1cnccn1)C1([NH+](C)C)CCCCCC1 c1cnc(cn1)[*:1] CN[C@H](C1(CCCCCC1)[NH+](C)C)[*:1]
CCc1cc(C(=O)Nc2cc(C(N)=O)c(F)cc2F)sc1C NC(=O)[*:1] CCc1cc(sc1C)C(=O)Nc1cc(c(F)cc1F)[*:1]
CC(=O)Nc1ccc(O)c(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1 CC(=O)N[*:1] C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1cc(ccc1O)[*:1]
CC(=O)Nc1ccc(O)c(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1 C[C@@H](c1ccccc1)[*:1] CC(=O)Nc1ccc(O)c(c1)C(=O)N[C@H](C)[*:1]
CC(=O)Nc1ccc(O)c(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(O)c(c1)C(=O)N[C@H](C)[C@@H](C)[*:1]
Cc1ccc(NC(=O)C[NH+](C[C@H]2CCCO2)C[C@H]2CCCO2)c(Cl)c1 C1CO[C@H](C1)C[*:1] Cc1ccc(NC(=O)C[NH+](C[C@H]2CCCO2)[*:1])c(Cl)c1
Cc1ccc(NC(=O)C[NH+](C[C@H]2CCCO2)C[C@H]2CCCO2)c(Cl)c1 C1CO[C@H](C1)[*:1] Cc1ccc(NC(=O)C[NH+](C[C@H]2CCCO2)C[*:1])c(Cl)c1
Cc1ccc(NC(=O)C[NH+](C[C@H]2CCCO2)C[C@H]2CCCO2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(C[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1)N[*:1]
CC(C)C[C@]1(C)C[NH+]=C(N)N1C[C@H]1CCCO1 CC(C)C[*:1] C[C@@]1(C[NH+]=C(N)N1C[C@H]1CCCO1)[*:1]
CC(C)C[C@]1(C)C[NH+]=C(N)N1C[C@H]1CCCO1 CC(C)[*:1] C[C@]1(C[NH+]=C(N)N1C[C@H]1CCCO1)C[*:1]
CC(C)C[C@]1(C)C[NH+]=C(N)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(C)C[C@]1(C)C[NH+]=C(N)N1C[*:1]
Cc1c([C@@H](C)[NH2+][C@H]2CC(=O)N(CC(F)(F)F)C2)oc2ccccc12 FC(F)(F)C[*:1] Cc1c(oc2ccccc12)[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1]
Cc1c([C@@H](C)[NH2+][C@H]2CC(=O)N(CC(F)(F)F)C2)oc2ccccc12 FC(F)(F)[*:1] Cc1c(oc2ccccc12)[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)C[*:1]
Cc1noc(C)c1[C@H](C)N1CCC[NH2+][C@H](C(C)C)C1 CC(C)[*:1] Cc1noc(C)c1[C@H](C)N1CCC[NH2+][C@H](C1)[*:1]
Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1cccc(Cl)c1)C(C)C O=[N+]([O-])[*:1] Cc1nc(cn1CC(=O)N(Cc1cccc(Cl)c1)C(C)C)[*:1]
Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1cccc(Cl)c1)C(C)C Clc1cccc(c1)[*:1] Cc1nc(cn1CC(=O)N(C[*:1])C(C)C)[N+](=O)[O-]
Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1cccc(Cl)c1)C(C)C CC(C)[*:1] Cc1nc(cn1CC(=O)N(Cc1cccc(Cl)c1)[*:1])[N+](=O)[O-]
Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1cccc(Cl)c1)C(C)C Clc1cccc(c1)C[*:1] Cc1nc(cn1CC(=O)N(C(C)C)[*:1])[N+](=O)[O-]
COc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c(OC)c1 Cc1c(Cl)cccc1[*:1] COc1ccc(c(c1)OC)N1C[C@@H](CC1=O)C(=O)N[*:1]
CN(C[C@@H]1CCCCO1)C(=O)OCCO OCC[*:1] CN(C[C@@H]1CCCCO1)C(=O)O[*:1]
CCOC[C@H](O)[C@@H]1COc2ccccc2C1 CCO[*:1] O[C@@H](C[*:1])[C@@H]1COc2ccccc2C1
CCOC[C@H](O)[C@@H]1COc2ccccc2C1 CCOC[*:1] O[C@H]([C@@H]1COc2ccccc2C1)[*:1]
COC[C@@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C COC[*:1] Cc1ccc(c(C)c1NC(=O)N[C@H](C)[*:1])[N+](=O)[O-]
COC[C@@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] COC[C@@H](C)NC(=O)Nc1c(C)ccc(c1C)[*:1]
COC[C@@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C COC[C@@H](C)[*:1] Cc1ccc(c(C)c1NC(=O)N[*:1])[N+](=O)[O-]
CCc1nn(C)cc1CNc1ccc(C)c(OCC(F)F)c1 FC(F)CO[*:1] CCc1nn(C)cc1CNc1ccc(C)c(c1)[*:1]
CCc1nn(C)cc1CNc1ccc(C)c(OCC(F)F)c1 FC(F)C[*:1] CCc1nn(C)cc1CNc1ccc(C)c(c1)O[*:1]
CCc1nn(C)cc1CNc1ccc(C)c(OCC(F)F)c1 FC(F)[*:1] CCc1nn(C)cc1CNc1ccc(C)c(c1)OC[*:1]
CCN(CC(=O)NC1CC1)S(=O)(=O)c1cc(F)ccc1OC O=C(NC1CC1)[*:1] CCN(C[*:1])S(=O)(=O)c1cc(F)ccc1OC
CCN(CC(=O)NC1CC1)S(=O)(=O)c1cc(F)ccc1OC C1CC1[*:1] CCN(CC(=O)N[*:1])S(=O)(=O)c1cc(F)ccc1OC
CCN(CC(=O)NC1CC1)S(=O)(=O)c1cc(F)ccc1OC O=C(C[*:1])NC1CC1 CCN(S(=O)(=O)c1cc(F)ccc1OC)[*:1]
C[C@@H](O)C[C@H]1CCCCCN1C(=O)CC1CCCC1 C[C@@H](O)[*:1] O=C(CC1CCCC1)N1CCCCC[C@@H]1C[*:1]
C[C@@H](O)C[C@H]1CCCCCN1C(=O)CC1CCCC1 C[C@@H](O)C[*:1] O=C(CC1CCCC1)N1CCCCC[C@@H]1[*:1]
C[C@@H](O)C[C@H]1CCCCCN1C(=O)CC1CCCC1 C1CCC(C1)[*:1] C[C@@H](O)C[C@H]1CCCCCN1C(=O)C[*:1]
C[C@@H](O)C[C@H]1CCCCCN1C(=O)CC1CCCC1 C1CCC(C1)C[*:1] C[C@@H](O)C[C@H]1CCCCCN1C(=O)[*:1]
C[C@H]1Oc2ccc(NC(=O)CNC(=O)c3ccccc3)cc2N(C)C1=O c1ccc(cc1)[*:1] C[C@H]1Oc2ccc(cc2N(C)C1=O)NC(=O)CNC(=O)[*:1]
CC[C@@H](NC(=O)CSc1nnnn1C)c1cc(F)ccc1F Cn1nnnc1[*:1] CC[C@@H](NC(=O)CS[*:1])c1cc(F)ccc1F
CC[C@@H](NC(=O)CSc1nnnn1C)c1cc(F)ccc1F Cn1nnnc1S[*:1] CC[C@@H](NC(=O)C[*:1])c1cc(F)ccc1F
COc1ccc(-c2nc(C[NH+](C(C)C)C3CCC3)no2)cc1 C1CC(C1)[*:1] COc1ccc(cc1)-c1nc(C[NH+](C(C)C)[*:1])no1
COc1ccc(-c2nc(C[NH+](C(C)C)C3CCC3)no2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nc(C[NH+](C2CCC2)[*:1])no1
CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)NCc3ccco3)sc2c1 c1coc(c1)C[*:1] CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)N[*:1])sc2c1
CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)NCc3ccco3)sc2c1 c1coc(c1)[*:1] CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)NC[*:1])sc2c1
COC(=O)c1ccc(NCc2ccc(C#N)cc2)nn1 COC(=O)[*:1] N#Cc1ccc(cc1)CNc1ccc(nn1)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)C[NH+](C)C)cc1 CC[C@@H](C)[*:1] C[NH+](C)CC(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1onc(-c2ccncn2)c1C(=O)Nc1ccccc1C(=O)N1CCCC1 c1cc(ncn1)[*:1] Cc1onc(c1C(=O)Nc1ccccc1C(=O)N1CCCC1)[*:1]
Cc1onc(-c2ccncn2)c1C(=O)Nc1ccccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1onc(-c2ccncn2)c1C(=O)Nc1ccccc1[*:1]
CC(=O)N[C@@H](C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C)[*:1]
CC(=O)N[C@@H](C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C)C(C)C Fc1ccc(cc1)[*:1] CC(=O)N[C@@H](C(=O)N[C@H](C)c1cnn(c1C)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C)C(C)C CC(=O)N[C@@H](C(C)C)[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NC(=O)[*:1]
CC(=O)N[C@@H](C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C)C(C)C CC(=O)N[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NC(=O)[C@@H](C(C)C)[*:1]
COc1ccc(CNC(=O)c2cccnc2Cl)c(OC)c1 Clc1ncccc1[*:1] COc1ccc(CNC(=O)[*:1])c(c1)OC
CCC[C@@H]1CCC[C@]([NH3+])(Cc2[nH+]ccn2C)CC1 CCC[*:1] Cn1cc[nH+]c1C[C@@]1([NH3+])CCC[C@H](CC1)[*:1]
CC[C@H](C(N)=[NH2+])N(C)CC(C)(C)O NC(=[NH2+])[*:1] CC[C@H](N(C)CC(C)(C)O)[*:1]
CC[C@H](C(N)=[NH2+])N(C)CC(C)(C)O CC(C)(O)[*:1] CC[C@H](C(N)=[NH2+])N(C)C[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)C[NH+]1CCc2sccc2C1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)C[NH+]1CCc2sccc2C1)[*:1]
CCn1c(-c2nc(C(=O)N3CCCCC3)cs2)cc2ccccc21 O=C(N1CCCCC1)[*:1] CCn1c(cc2ccccc21)-c1nc(cs1)[*:1]
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCC[NH+]3CCc4ccccc4C3)c2c1 c1cncc(c1)[*:1] Cc1ccc2nc(cc(C(=O)NCCC[NH+]3CCc4ccccc4C3)c2c1)[*:1]
C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)[C@@H]2CCCN2S(C)(=O)=O)o1 C[C@@H]1C[C@@H]1[*:1] CN(Cc1ccc(o1)[*:1])C(=O)[C@@H]1CCCN1S(C)(=O)=O
O=C1CCCN1Cc1nnc(SCc2coc(-c3ccccc3)n2)n1-c1ccccn1 O=C1CCCN1C[*:1] c1ccc(cc1)-c1nc(co1)CSc1nnc(n1-c1ccccn1)[*:1]
O=C1CCCN1Cc1nnc(SCc2coc(-c3ccccc3)n2)n1-c1ccccn1 c1ccc(cc1)[*:1] O=C1CCCN1Cc1nnc(SCc2coc(n2)[*:1])n1-c1ccccn1
O=C1CCCN1Cc1nnc(SCc2coc(-c3ccccc3)n2)n1-c1ccccn1 O=C1CCCN1[*:1] c1ccc(cc1)-c1nc(co1)CSc1nnc(C[*:1])n1-c1ccccn1
O=C1CCCN1Cc1nnc(SCc2coc(-c3ccccc3)n2)n1-c1ccccn1 c1ccc(nc1)[*:1] O=C1CCCN1Cc1nnc(SCc2coc(n2)-c2ccccc2)n1[*:1]
Cc1ccc(CCNC(=O)c2nnc(C(=O)Nc3ccccc3)s2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CCNC(=O)c1nnc(s1)C(=O)N[*:1]
Cc1ccc(CCNC(=O)c2nnc(C(=O)Nc3ccccc3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC[*:1])c1nnc(s1)C(=O)Nc1ccccc1
Cc1ccc(CCNC(=O)c2nnc(C(=O)Nc3ccccc3)s2)cc1 Cc1ccc(cc1)C[*:1] O=C(NC[*:1])c1nnc(s1)C(=O)Nc1ccccc1
C[C@H]1CN(Cc2ccc(C[NH2+]Cc3c(F)cccc3Cl)cc2)C[C@@H](C)O1 Fc1cccc(Cl)c1[*:1] C[C@H]1CN(Cc2ccc(cc2)C[NH2+]C[*:1])C[C@@H](C)O1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4sc(C)nc4c3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1nc2cc(ccc2s1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)[C@]1(NCC(F)(F)F)CSCCC1(C)C FC(F)(F)C[*:1] CCOC(=O)[C@@]1(CSCCC1(C)C)N[*:1]
CCOC(=O)[C@]1(NCC(F)(F)F)CSCCC1(C)C FC(F)(F)[*:1] CCOC(=O)[C@@]1(CSCCC1(C)C)NC[*:1]
CCOC(=O)[C@]1(NCC(F)(F)F)CSCCC1(C)C CCOC(=O)[*:1] CC1(C)CCSC[C@]1(NCC(F)(F)F)[*:1]
CCOC(=O)[C@]1(NCC(F)(F)F)CSCCC1(C)C FC(F)(F)CN[*:1] CCOC(=O)[C@@]1(CSCCC1(C)C)[*:1]
CC[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1CCO OCC[*:1] CC[C@@H](c1ccccc1)c1nc2cc(ccc2n1[*:1])C(F)(F)F
CC[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1CCO FC(F)(F)[*:1] CC[C@@H](c1ccccc1)c1nc2cc(ccc2n1CCO)[*:1]
CC[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)ccc2n1CCO c1ccc(cc1)[*:1] CC[C@@H](c1nc2cc(ccc2n1CCO)C(F)(F)F)[*:1]
COC(=O)c1ccc2c(c1)C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1)O2 COC(=O)[*:1] C[C@@H](Oc1ccccc1)C(=O)NC[C@H]1Cc2cc(ccc2O1)[*:1]
COC(=O)c1ccc2c(c1)C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1)O2 c1ccc(cc1)[*:1] COC(=O)c1ccc2O[C@@H](CNC(=O)[C@@H](C)O[*:1])Cc2c1
COC(=O)c1ccc2c(c1)C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1)O2 c1ccc(cc1)O[*:1] COC(=O)c1ccc2O[C@@H](CNC(=O)[C@@H](C)[*:1])Cc2c1
C[C@H]1CC(C(=O)NCc2ccnc(OC3CCCCC3)c2)C[C@H](C)O1 C1CCC(CC1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1ccnc(c1)O[*:1]
C[C@H]1CC(C(=O)NCc2ccnc(OC3CCCCC3)c2)C[C@H](C)O1 C1CCC(CC1)O[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1ccnc(c1)[*:1]
COc1ccc(C[C@@H](C)CNC(=O)c2ccc([S@@](C)=O)cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1ccc(cc1)[S@@](C)=O)C[*:1]
COc1ccc(C[C@@H](C)CNC(=O)c2ccc([S@@](C)=O)cc2)cc1 C[S@@](=O)[*:1] COc1ccc(cc1)C[C@@H](C)CNC(=O)c1ccc(cc1)[*:1]
FC(F)(F)c1ccc(Cl)c(CN2CC[NH+](Cc3ccon3)CC2)c1 FC(F)(F)[*:1] Clc1ccc(cc1CN1CC[NH+](CC1)Cc1ccon1)[*:1]
FC(F)(F)c1ccc(Cl)c(CN2CC[NH+](Cc3ccon3)CC2)c1 c1cc(no1)[*:1] FC(F)(F)c1ccc(Cl)c(c1)CN1CC[NH+](CC1)C[*:1]
C=CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O Clc1ccc(c(Cl)c1)[*:1] C=CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
C=CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O C=CC[*:1] C[C@@]1(NC(=O)N(CC(=O)NC(=O)N[*:1])C1=O)c1ccc(Cl)cc1Cl
CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 FC(F)(F)[*:1] CC(=O)CCc1ccc(cc1)OS(=O)(=O)c1ccc(Cl)cc1[*:1]
CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 CC(=O)[*:1] O=S(=O)(Oc1ccc(cc1)CC[*:1])c1ccc(Cl)cc1C(F)(F)F
CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 CC(=O)CC[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccc(Cl)cc1C(F)(F)F
CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 CC(=O)C[*:1] O=S(=O)(Oc1ccc(cc1)C[*:1])c1ccc(Cl)cc1C(F)(F)F
O=C(C1CN(S(=O)(=O)C2CC2)C1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] O=C(C1CN(C1)S(=O)(=O)C1CC1)N1CCN(CC1)[*:1]
O=C(C1CN(S(=O)(=O)C2CC2)C1)N1CCN(Cc2ccncc2)CC1 C1CC1[*:1] O=C(C1CN(C1)S(=O)(=O)[*:1])N1CCN(CC1)Cc1ccncc1
O=C(C1CN(S(=O)(=O)C2CC2)C1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(C1CN(C1)S(=O)(=O)C1CC1)N1CCN(CC1)C[*:1]
C[C@@H]1C[C@H](Cl)[C@@H]2[C@@H](CC[C@@H]3[C@@H]2N=NN3c2ccccc2)[NH2+]1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](Cl)[C@@H]2[C@@H](CC[C@@H]3[C@@H]2N=NN3[*:1])[NH2+]1
C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)C1CCCCC1 C1CC1C[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C1)C(=O)N[*:1])C1CCCCC1
C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C1)C(=O)NCC1CC1)[*:1]
C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)C1CCCCC1 O=C(NCC1CC1)[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C1)[*:1])C1CCCCC1
C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)C1CCCCC1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C1)C(=O)NC[*:1])C1CCCCC1
COC(=O)c1c(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCC2 ClC(Cl)(Cl)[*:1] COC(=O)c1c(N[C@H](NC(=O)c2cccs2)[*:1])sc2CCCc21
COC(=O)c1c(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCC2 c1csc(c1)[*:1] COC(=O)c1c(N[C@H](NC(=O)[*:1])C(Cl)(Cl)Cl)sc2CCCc21
COC(=O)c1c(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCC2 O=C(N[*:1])c1cccs1 COC(=O)c1c(N[C@H](C(Cl)(Cl)Cl)[*:1])sc2CCCc21
COC(=O)c1c(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCC2 COC(=O)[*:1] O=C(N[C@@H](Nc1sc2CCCc2c1[*:1])C(Cl)(Cl)Cl)c1cccs1
O=C(c1ccccc1F)N1CCn2c(-c3ccccc3)cnc2C1 c1ccc(cc1)[*:1] O=C(c1ccccc1F)N1CCn2c(cnc2C1)[*:1]
O=C(c1ccccc1F)N1CCn2c(-c3ccccc3)cnc2C1 Fc1ccccc1[*:1] O=C(N1CCn2c(cnc2C1)-c1ccccc1)[*:1]
NC(=O)c1cc(-c2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)nc2ccccc12 NC(=O)[*:1] O=C(C[C@@H]1COCC[NH2+]1)Nc1ccc(cc1)-c1cc(c2ccccc2n1)[*:1]
Cc1csc(CNC[C@]2(O)CCCN(CC3CCCCC3)C2=O)n1 Cc1csc(n1)[*:1] O=C1N(CCC[C@@]1(O)CNC[*:1])CC1CCCCC1
Cc1csc(CNC[C@]2(O)CCCN(CC3CCCCC3)C2=O)n1 Cc1csc(C[*:1])n1 O=C1N(CCC[C@@]1(O)CN[*:1])CC1CCCCC1
Cc1csc(CNC[C@]2(O)CCCN(CC3CCCCC3)C2=O)n1 C1CCC(CC1)[*:1] Cc1csc(CNC[C@]2(O)CCCN(C[*:1])C2=O)n1
Cc1csc(CNC[C@]2(O)CCCN(CC3CCCCC3)C2=O)n1 Cc1csc(CN[*:1])n1 O=C1N(CCC[C@@]1(O)C[*:1])CC1CCCCC1
Cc1csc(CNC[C@]2(O)CCCN(CC3CCCCC3)C2=O)n1 C1CCC(CC1)C[*:1] Cc1csc(CNC[C@]2(O)CCCN(C2=O)[*:1])n1
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)no1 Cc1cc(no1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[*:1]
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)no1 FC(F)(F)[*:1] Cc1cc(no1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)[*:1])C(F)(F)F
CC[C@@H](CSC)N(C)C(=O)N[C@@H](C)Cn1cncn1 CC[C@@H](CSC)[*:1] C[C@@H](Cn1cncn1)NC(=O)N(C)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@@H](C)Cn1cncn1 c1ncn(C[*:1])n1 CC[C@@H](CSC)N(C)C(=O)N[C@@H](C)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@@H](C)Cn1cncn1 c1ncn(n1)[*:1] CC[C@@H](CSC)N(C)C(=O)N[C@@H](C)C[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@@H](C)Cn1cncn1 CSC[*:1] CC[C@@H](N(C)C(=O)N[C@@H](C)Cn1cncn1)[*:1]
Cc1cccc(NC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
Cc1cccc(NC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)[NH+]1CCN(CC1)c1ccccc1
COc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1OC O=S(=O)(N1CCCC1)[*:1] COc1cccc(C(=O)NNC(=O)c2cccc(c2)[*:1])c1OC
COc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1OC COc1cccc(c1OC)[*:1] O=C(NNC(=O)[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
Cc1c(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cnn1-c1ccccc1 c1coc(c1)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
Cc1c(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc2CCN(C(=O)c3ccco3)c2c1
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCCc1nnc2n1CCC2 CCC=C(C)[*:1] O=C(NCCc1nnc2CCCn21)[C@@H]1CSCN1C(=O)[*:1]
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCC[*:1]
Cc1cccc(NC(=O)Cc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)c1 Cc1cccc(c1)[*:1] O=C(Cc1ccc(cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N[*:1]
Cc1nnc2n1CCN(C(=O)c1ccc(Cn3cccc3)cc1)C2 c1ccn(c1)[*:1] Cc1nnc2CN(CCn12)C(=O)c1ccc(cc1)C[*:1]
Cc1nnc2n1CCN(C(=O)c1ccc(Cn3cccc3)cc1)C2 c1ccn(c1)C[*:1] Cc1nnc2CN(CCn12)C(=O)c1ccc(cc1)[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)NCCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCCC[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)NCCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCCCOC[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)NCCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCCCO[*:1]
O=C(NCC(=O)N1CCC[C@H]1C1CCCC1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCC(=O)N1CCC[C@H]1C1CCCC1)NC[*:1]
O=C(NCC(=O)N1CCC[C@H]1C1CCCC1)NCc1ccc(Cl)cc1 C1CCC(C1)[*:1] O=C(NCC(=O)N1CCC[C@@H]1[*:1])NCc1ccc(Cl)cc1
O=C(NCC(=O)N1CCC[C@H]1C1CCCC1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(NCC(=O)N1CCC[C@H]1C1CCCC1)N[*:1]
O=c1c2ccccc2nc(S[C@H]2CCCc3ccccc32)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=c1c2ccccc2nc(S[C@H]2CCCc3ccccc32)n1C[*:1]
O=c1c2ccccc2nc(S[C@H]2CCCc3ccccc32)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=c1c2ccccc2nc(S[C@H]2CCCc3ccccc32)n1[*:1]
Cc1ccccc1S[C@@H]1CCC[C@@](C#N)(NC(C)C)C1 CC(C)N[*:1] Cc1ccccc1S[C@@H]1CCC[C@@](C#N)(C1)[*:1]
Cc1ccccc1S[C@@H]1CCC[C@@](C#N)(NC(C)C)C1 CC(C)[*:1] Cc1ccccc1S[C@@H]1CCC[C@](C#N)(C1)N[*:1]
O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc(F)cc1F Brc1ccc(cc1)[*:1] O=C(CSc1nc(n[nH]1)[*:1])Nc1ccc(F)cc1F
O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CSc1nc(n[nH]1)-c1ccc(Br)cc1)N[*:1]
C=CCOc1ccc(-c2noc(CCl)n2)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])-c1noc(CCl)n1
C=CCOc1ccc(-c2noc(CCl)n2)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])-c1noc(CCl)n1
CC(C)C[C@H]1CCCCCN1C(=O)N[C@@H](C)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC(C)C[C@H]1CCCCCN1C(=O)N[C@@H](C)[*:1]
CC(C)C[C@H]1CCCCCN1C(=O)N[C@@H](C)c1cnn(C)c1 CC(C)C[*:1] C[C@H](NC(=O)N1CCCCC[C@@H]1[*:1])c1cnn(C)c1
CC(C)C[C@H]1CCCCCN1C(=O)N[C@@H](C)c1cnn(C)c1 CC(C)[*:1] C[C@H](NC(=O)N1CCCCC[C@@H]1C[*:1])c1cnn(C)c1
CC[C@@H]([NH2+]CC[C@H]1CCCO1)c1cc(C)ccc1OC C1CO[C@H](C1)[*:1] CC[C@@H]([NH2+]CC[*:1])c1cc(C)ccc1OC
CC[C@@H]([NH2+]CC[C@H]1CCCO1)c1cc(C)ccc1OC C1CO[C@H](C1)C[*:1] CC[C@@H]([NH2+]C[*:1])c1cc(C)ccc1OC
CNC(=O)[C@H](C)CN(C)C(=O)CCc1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(cc1)CCC(=O)N(C)C[C@@H](C)[*:1]
Cc1nn(CCC(=O)N2C[C@@H](c3cccnc3)[C@@]3(CCCCC(=O)N3)C2)c(C)c1C c1cncc(c1)[*:1] Cc1nn(CCC(=O)N2C[C@@H]([C@@]3(CCCCC(=O)N3)C2)[*:1])c(C)c1C
Cc1nn(CCC(=O)N2C[C@@H](c3cccnc3)[C@@]3(CCCCC(=O)N3)C2)c(C)c1C Cc1nn(C[*:1])c(C)c1C O=C1CCCC[C@]2(CN(C[C@H]2c2cccnc2)C(=O)C[*:1])N1
Cc1nn(CCC(=O)N2C[C@@H](c3cccnc3)[C@@]3(CCCCC(=O)N3)C2)c(C)c1C Cc1nn(CC[*:1])c(C)c1C O=C1CCCC[C@]2(CN(C[C@H]2c2cccnc2)C(=O)[*:1])N1
Cc1nn(CCC(=O)N2C[C@@H](c3cccnc3)[C@@]3(CCCCC(=O)N3)C2)c(C)c1C Cc1nn(c(C)c1C)[*:1] O=C1CCCC[C@]2(CN(C[C@H]2c2cccnc2)C(=O)CC[*:1])N1
Cc1ccc(C(=O)Nc2c(C(=O)NCc3ccccn3)[nH]c3ccc(C)cc23)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)C(=O)Nc1c([nH]c2ccc(C)cc12)C(=O)NC[*:1]
Cc1ccc(C(=O)Nc2c(C(=O)NCc3ccccn3)[nH]c3ccc(C)cc23)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2[nH]c(C(=O)NCc3ccccn3)c(NC(=O)[*:1])c2c1
Cc1ccc(C(=O)Nc2c(C(=O)NCc3ccccn3)[nH]c3ccc(C)cc23)cc1 O=C(NCc1ccccn1)[*:1] Cc1ccc(cc1)C(=O)Nc1c([nH]c2ccc(C)cc12)[*:1]
Cc1ccc(C(=O)Nc2c(C(=O)NCc3ccccn3)[nH]c3ccc(C)cc23)cc1 c1ccc(C[*:1])nc1 Cc1ccc(cc1)C(=O)Nc1c([nH]c2ccc(C)cc12)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2c(C(=O)NCc3ccccn3)[nH]c3ccc(C)cc23)cc1 Cc1ccc(cc1)C(=O)N[*:1] Cc1ccc2[nH]c(C(=O)NCc3ccccn3)c(c2c1)[*:1]
Cn1ncc(NC(=O)c2cccc(COc3ccc4c(c3)CCC4)c2)c1C(=O)N1CCCCC1 c1cc2CCCc2cc1[*:1] Cn1ncc(NC(=O)c2cccc(c2)CO[*:1])c1C(=O)N1CCCCC1
Cn1ncc(NC(=O)c2cccc(COc3ccc4c(c3)CCC4)c2)c1C(=O)N1CCCCC1 c1cc2CCCc2cc1OC[*:1] Cn1ncc(NC(=O)c2cccc(c2)[*:1])c1C(=O)N1CCCCC1
Cn1ncc(NC(=O)c2cccc(COc3ccc4c(c3)CCC4)c2)c1C(=O)N1CCCCC1 c1cc2CCCc2cc1O[*:1] Cn1ncc(NC(=O)c2cccc(c2)C[*:1])c1C(=O)N1CCCCC1
Cn1ncc(NC(=O)c2cccc(COc3ccc4c(c3)CCC4)c2)c1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] Cn1ncc(NC(=O)c2cccc(c2)COc2ccc3CCCc3c2)c1[*:1]
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 O=C(N[*:1])c1ccc(F)cc1 C[C@@H]1CCc2c(C1)sc(c2C(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 Fc1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C(=O)N[C@@H]1CCS(=O)(=O)C1
Cc1ccc(C[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(C[NH+]2CCN(CC2)c2ncnc3c2cnn3[*:1])c(C)c1
Cc1ccc(C[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c(C)c1 Cc1ccc(C[*:1])c(C)c1 c1ccc(cc1)-n1ncc2c(ncnc21)N1CC[NH+](CC1)[*:1]
Cc1ccc(C[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)N1CC[NH+](CC1)C[*:1]
C[C@@H](CCCO)NC(=O)c1ccc(F)c([N+](=O)[O-])c1 OCC[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(F)c(c1)[N+](=O)[O-]
C[C@@H](CCCO)NC(=O)c1ccc(F)c([N+](=O)[O-])c1 OCCC[*:1] C[C@@H](NC(=O)c1ccc(F)c(c1)[N+](=O)[O-])[*:1]
C[C@@H](CCCO)NC(=O)c1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](CCCO)NC(=O)c1ccc(F)c(c1)[*:1]
C[C@@H](CCCO)NC(=O)c1ccc(F)c([N+](=O)[O-])c1 C[C@@H](CCCO)[*:1] O=C(N[*:1])c1ccc(F)c(c1)[N+](=O)[O-]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cccs1 c1csc(c1)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)C=C[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cccs1 CC[S@](=O)[*:1] O=C(/C=C/c1cccs1)N[C@H]1CCCC[C@@H]1[*:1]
O=C(c1cc2n(n1)CCCO2)N(CCO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1cc2OCCCn2n1)N(CCO)[*:1]
O=C(c1cc2n(n1)CCCO2)N(CCO)Cc1ccccc1 OCC[*:1] O=C(c1cc2OCCCn2n1)N(Cc1ccccc1)[*:1]
O=C(c1cc2n(n1)CCCO2)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1cc2OCCCn2n1)N(CCO)C[*:1]
CCOC(=O)[C@H](CC)N1CCC(C(=O)N2CCCCCC2)CC1 CCOC(=O)[*:1] CC[C@H](N1CCC(CC1)C(=O)N1CCCCCC1)[*:1]
CCN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1Cl Clc1ccccc1[*:1] CCN(C(=O)C1CCN(CC1)C1=NS(=O)(=O)c2ccccc21)[*:1]
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCn2c1nc1ccccc12 c1cc2CCCc2cc1[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCn2c1nc1ccccc12
CCCC(=O)NC1CCN(c2ncc(-c3ccncc3)c(C(C)C)n2)CC1 CC(C)[*:1] CCCC(=O)NC1CCN(CC1)c1ncc(-c2ccncc2)c(n1)[*:1]
CCCC(=O)NC1CCN(c2ncc(-c3ccncc3)c(C(C)C)n2)CC1 c1cc(ccn1)[*:1] CCCC(=O)NC1CCN(CC1)c1ncc(c(n1)C(C)C)[*:1]
CCCC(=O)NC1CCN(c2ncc(-c3ccncc3)c(C(C)C)n2)CC1 CCC[*:1] CC(C)c1nc(ncc1-c1ccncc1)N1CCC(CC1)NC(=O)[*:1]
CCCC(=O)NC1CCN(c2ncc(-c3ccncc3)c(C(C)C)n2)CC1 CCCC(=O)N[*:1] CC(C)c1nc(ncc1-c1ccncc1)N1CCC(CC1)[*:1]
Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](C(N)=O)C1 CC(C)C[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N1CC[C@@H](C1)C(N)=O)[*:1]
Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](C(N)=O)C1 CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C[*:1])C(=O)N1CC[C@@H](C1)C(N)=O
Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](C(N)=O)C1 NC(=O)[*:1] Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](C1)[*:1]
Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](C(N)=O)C1 Cc1ccccc1[*:1] CC(C)C[C@H](NC(=O)[*:1])C(=O)N1CC[C@@H](C1)C(N)=O
O=C([O-])CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 O=C([O-])C[*:1] O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)NCC[*:1]
O=C([O-])CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 O=C([O-])CC[*:1] O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)NC[*:1]
O=C([O-])CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 O=C([O-])[*:1] O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)NCCC[*:1]
O=C([O-])CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 O=C([O-])CCC[*:1] O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)N[*:1]
O=C(CSc1ccccc1C(=O)NCc1ccco1)NC1CCCCCCC1 O=C(NCc1ccco1)[*:1] O=C(CSc1ccccc1[*:1])NC1CCCCCCC1
O=C(CSc1ccccc1C(=O)NCc1ccco1)NC1CCCCCCC1 c1coc(c1)[*:1] O=C(CSc1ccccc1C(=O)NC[*:1])NC1CCCCCCC1
O=C(CSc1ccccc1C(=O)NCc1ccco1)NC1CCCCCCC1 c1coc(c1)C[*:1] O=C(CSc1ccccc1C(=O)N[*:1])NC1CCCCCCC1
O=C(CSc1ccccc1C(=O)NCc1ccco1)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] O=C(CSc1ccccc1C(=O)NCc1ccco1)N[*:1]
COc1c(C)c[nH+]c(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c1C C1CC1c1nc(no1)[*:1] COc1c(C)c[nH+]c(CN2CCC[C@H](C2)[*:1])c1C
COc1c(C)c[nH+]c(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c1C C1CC1[*:1] COc1c(C)c[nH+]c(CN2CCC[C@@H](C2)c2noc(n2)[*:1])c1C
Cc1n[nH]c2cc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)ccc12 C1CO[C@H](C1)CO[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)c1 O=C([O-])[*:1] COC(=O)c1cccc(c1)NC(=O)[C@H]1[C@@H]([C@H]2CC[C@@H]1C2)[*:1]
COC(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)c1 COC(=O)[*:1] O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(Nc1cccc(F)c1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c(C)c1 Fc1cccc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)nc12 c1cn(cn1)CCC[*:1] COc1cccc2sc(nc12)N(C(=O)c1ccc(Cl)s1)[*:1]
COc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)nc12 Clc1ccc(s1)[*:1] COc1cccc2sc(nc12)N(CCCn1ccnc1)C(=O)[*:1]
COc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)nc12 c1cn(cn1)[*:1] COc1cccc2sc(nc12)N(CCC[*:1])C(=O)c1ccc(Cl)s1
COc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)nc12 c1cn(cn1)C[*:1] COc1cccc2sc(nc12)N(CC[*:1])C(=O)c1ccc(Cl)s1
COc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)nc12 c1cn(cn1)CC[*:1] COc1cccc2sc(nc12)N(C[*:1])C(=O)c1ccc(Cl)s1
CC(C)(C)OC(=O)N1C[C@H](Oc2cc[nH+]cc2)C[C@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@@H]1C[C@H](CN1C(=O)O[*:1])Oc1cc[nH+]cc1
CC(C)(C)OC(=O)N1C[C@H](Oc2cc[nH+]cc2)C[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1[*:1])Oc1cc[nH+]cc1
COc1ccc(-c2nc(NC(=O)c3cccc(-n4cnnn4)c3)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1cccc(c1)-n1cnnn1
COc1ccc(-c2nc(NC(=O)c3cccc(-n4cnnn4)c3)sc2C)cc1 c1nnnn1[*:1] COc1ccc(cc1)-c1nc(NC(=O)c2cccc(c2)[*:1])sc1C
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccnc2)cc1Cl c1cncc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)[C@@H](C)OC(=O)[*:1]
COc1ncnc2c1nc([C@H](C)Cl)n2[C@@H]1CCC(=O)NC1 C[C@H](Cl)[*:1] COc1ncnc2c1nc(n2[C@@H]1CCC(=O)NC1)[*:1]
COc1ncnc2c1nc([C@H](C)Cl)n2[C@@H]1CCC(=O)NC1 O=C1CC[C@H](CN1)[*:1] COc1ncnc2c1nc([C@H](C)Cl)n2[*:1]
S=c1oc(-c2cccs2)nn1C[NH+]1CCCSCC1 c1csc(c1)[*:1] S=c1oc(nn1C[NH+]1CCCSCC1)[*:1]
O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1c(CCCNC(=O)[*:1])nc2ccccc21)N1CCOCC1
O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1ccc(F)cc1 O=C(N1CCOCC1)[*:1] O=C(NCCCc1nc2ccccc2n1C[*:1])c1ccc(F)cc1
O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1ccc(F)cc1 O=C(C[*:1])N1CCOCC1 O=C(NCCCc1nc2ccccc2n1[*:1])c1ccc(F)cc1
O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 O=C(Cn1c(CCC[*:1])nc2ccccc21)N1CCOCC1
CCCSC1=NC(=O)[C@@H]2C(=N1)N=C1CCCC([O-])=C1[C@H]2c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CCCSC1=NC(=O)[C@@H]2C(N=C3CCCC([O-])=C3[C@@H]2[*:1])=N1
CCCSC1=NC(=O)[C@@H]2C(=N1)N=C1CCCC([O-])=C1[C@H]2c1ccc([N+](=O)[O-])cc1 CCC[*:1] O=C1N=C(N=C2N=C3CCCC([O-])=C3[C@@H](c3ccc(cc3)[N+](=O)[O-])[C@H]12)S[*:1]
CCCSC1=NC(=O)[C@@H]2C(=N1)N=C1CCCC([O-])=C1[C@H]2c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCCSC1=NC(=O)[C@@H]2C(N=C3CCCC([O-])=C3[C@H]2c2ccc(cc2)[*:1])=N1
O=C(CCc1cc(Cl)no1)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 Clc1cc(C[*:1])on1 O=C(C[*:1])N1[C@H]2CC[C@@H]1Cn1c(C2)nc2ccccc2c1=O
O=C(CCc1cc(Cl)no1)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 Clc1cc(CC[*:1])on1 O=C(N1[C@H]2CC[C@@H]1Cn1c(C2)nc2ccccc2c1=O)[*:1]
O=C(CCc1cc(Cl)no1)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 Clc1cc(on1)[*:1] O=C(CC[*:1])N1[C@H]2CC[C@@H]1Cn1c(C2)nc2ccccc2c1=O
Cc1cccc(OCC(=O)N(C)C2CCN(c3ccc(F)cc3)CC2)c1 Cc1cccc(c1)O[*:1] CN(C(=O)C[*:1])C1CCN(CC1)c1ccc(F)cc1
Cc1cccc(OCC(=O)N(C)C2CCN(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)N(C)C1CCN(CC1)[*:1]
Cc1cccc(OCC(=O)N(C)C2CCN(c3ccc(F)cc3)CC2)c1 Cc1cccc(c1)[*:1] CN(C(=O)CO[*:1])C1CCN(CC1)c1ccc(F)cc1
CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)n2)CC1 CC(C)[*:1] O=C([C@H]1CC=CCC1)N1CCC[C@@H](C1)c1cc(O)nc(n1)C1CCN(CC1)C(=O)[*:1]
CCn1c(C)cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1C Fc1cc(ccc1Cl)[*:1] CCn1c(C)cc(C(=O)N[C@H]2CCO[C@@H]2[*:1])c1C
CC(C)c1cc(O)cc(C(C)C)c1O[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O O=C([O-])[*:1] CC(C)c1cc(O)cc(c1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)[*:1])C(C)C
CC(C)c1cc(O)cc(C(C)C)c1O[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O CC(C)[*:1] CC(C)c1cc(O)cc(c1O[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O)[*:1]
CCCC(=O)N1CCC([NH+]2CCC3(CC[NH+](C)C3)CC2)CC1 CCC[*:1] C[NH+]1CCC2(CC[NH+](CC2)C2CCN(CC2)C(=O)[*:1])C1
CCC[NH2+][C@@H](C)c1ccn(Cc2csc3ccccc23)c1 CCC[*:1] C[C@H]([NH2+][*:1])c1ccn(c1)Cc1csc2ccccc12
O=C(CC[C@H]1CCCO1)NCc1ccc(Oc2cccc(F)c2)nc1 Fc1cccc(c1)O[*:1] O=C(CC[C@H]1CCCO1)NCc1ccc(nc1)[*:1]
O=C(CC[C@H]1CCCO1)NCc1ccc(Oc2cccc(F)c2)nc1 Fc1cccc(c1)[*:1] O=C(CC[C@H]1CCCO1)NCc1ccc(nc1)O[*:1]
CC/N=C1/S[C@@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1CC FC(F)(F)[*:1] CC/N=C1/S[C@@H](CC(=O)Nc2ccc(cc2)[*:1])C(=O)N1CC
COC(=O)c1sc(N[C@@H](C)C(C)(C)C)nc1Cl CC(C)(C)[*:1] COC(=O)c1sc(nc1Cl)N[C@@H](C)[*:1]
COC(=O)c1sc(N[C@@H](C)C(C)(C)C)nc1Cl COC(=O)[*:1] C[C@H](Nc1nc(Cl)c(s1)[*:1])C(C)(C)C
CCOC(=O)CC[C@H](C)NC(=O)c1cc(F)c(Cl)nc1Cl CCOC(=O)[*:1] C[C@@H](CC[*:1])NC(=O)c1cc(F)c(Cl)nc1Cl
CCOC(=O)CC[C@H](C)NC(=O)c1cc(F)c(Cl)nc1Cl CCOC(=O)C[*:1] C[C@@H](C[*:1])NC(=O)c1cc(F)c(Cl)nc1Cl
CCOC(=O)CC[C@H](C)NC(=O)c1cc(F)c(Cl)nc1Cl CCOC(=O)CC[*:1] C[C@H](NC(=O)c1cc(F)c(Cl)nc1Cl)[*:1]
C=CCNC(=[NH2+])SCc1nc2ccccc2c(=O)[nH]1 C=CC[*:1] [NH2+]=C(N[*:1])SCc1nc2ccccc2c(=O)[nH]1
N#CC1=C(N)n2c(s/c(=C\c3ccccc3F)c2=O)=C(C#N)[C@H]1c1ccccc1F Fc1ccccc1[*:1] N#CC1=C(N)n2c(sc(=C[*:1])c2=O)=C(C#N)[C@H]1c1ccccc1F
N#CC1=C(N)n2c(s/c(=C\c3ccccc3F)c2=O)=C(C#N)[C@H]1c1ccccc1F Fc1ccccc1[*:1] N#CC1=C(N)n2c(s/c(=C\c3ccccc3F)c2=O)=C(C#N)[C@@H]1[*:1]
C[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccc2F)CC1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)N1CCN(CC1)c1ncccc1F)[*:1]
C[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccc2F)CC1 c1ccc(cc1)[*:1] C[C@@H](C[*:1])C(=O)N1CCN(CC1)c1ncccc1F
C[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] C[C@@H](Cc1ccccc1)C(=O)N1CCN(CC1)[*:1]
C[NH2+][C@H](C)c1ncc(-c2c(F)ccc([N+](=O)[O-])c2F)o1 O=[N+]([O-])[*:1] C[NH2+][C@H](C)c1ncc(o1)-c1c(F)ccc(c1F)[*:1]
COCCOc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(C)c1 Cc1cccc(c1)[*:1] COCCOc1ccccc1NC(=O)N1CCC[C@H]1[*:1]
COCCOc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(C)c1 COCC[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)Nc1ccccc1O[*:1]
COCCOc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(C)c1 COCCO[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)Nc1ccccc1[*:1]
COCCOc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(C)c1 COC[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)Nc1ccccc1OC[*:1]
Cc1ccc(N2C(=O)[C@@H](C)[C@H]3c4cc(Br)ccc4OC(=O)[C@@H]3C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1C(=O)N(C(=O)[C@H]2C(=O)Oc3ccc(Br)cc3[C@H]12)[*:1]
C1CO[C@H](C[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 C1CO[C@@H](C1)C[*:1] C1CC2(CCO1)C[C@H](CCO2)[NH2+][*:1]
C1CO[C@H](C[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 C1CO[C@H](C1)[*:1] C1CC2(CCO1)C[C@H](CCO2)[NH2+]C[*:1]
CCCC[NH+](CC(N)=O)Cc1cnn2c1NCCC2 CCCC[*:1] NC(=O)C[NH+](Cc1cnn2CCCNc12)[*:1]
CCCC[NH+](CC(N)=O)Cc1cnn2c1NCCC2 NC(=O)[*:1] CCCC[NH+](Cc1cnn2CCCNc12)C[*:1]
CCCC[NH+](CC(N)=O)Cc1cnn2c1NCCC2 NC(=O)C[*:1] CCCC[NH+](Cc1cnn2CCCNc12)[*:1]
CCCC[NH+](CC(N)=O)Cc1cnn2c1NCCC2 CCC[*:1] NC(=O)C[NH+](Cc1cnn2CCCNc12)C[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 Cc1cccc(C)c1[*:1] O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N[*:1]
CCn1c(S[C@H](C(=O)NC(N)=O)C(C)C)nc2ccccc21 NC(=O)NC(=O)[*:1] CCn1c(nc2ccccc21)S[C@H](C(C)C)[*:1]
CCn1c(S[C@H](C(=O)NC(N)=O)C(C)C)nc2ccccc21 CC(C)[*:1] CCn1c(nc2ccccc21)S[C@H](C(=O)NC(N)=O)[*:1]
Cc1nnnn1CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 c1cc(ccn1)[*:1] Cc1nnnn1CC(=O)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
Cc1nnnn1CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 Cc1nnnn1C[*:1] O=C(N1CCC[C@@H](C1)c1[nH+]ccn1Cc1ccncc1)[*:1]
Cc1nnnn1CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 c1cc(ccn1)C[*:1] Cc1nnnn1CC(=O)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
Cc1nnnn1CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 Cc1nnnn1[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1[nH+]ccn1Cc1ccncc1
CCOc1cc2c(cc1OCC)C[NH+](CC(=O)NC1CCCC1)CC2 C1CCC(C1)[*:1] CCOc1cc2CC[NH+](CC(=O)N[*:1])Cc2cc1OCC
CCOc1cc2c(cc1OCC)C[NH+](CC(=O)NC1CCCC1)CC2 CCO[*:1] CCOc1cc2C[NH+](CCc2cc1[*:1])CC(=O)NC1CCCC1
CCOc1cc2c(cc1OCC)C[NH+](CC(=O)NC1CCCC1)CC2 O=C(NC1CCCC1)[*:1] CCOc1cc2CC[NH+](Cc2cc1OCC)C[*:1]
CCOc1cc2c(cc1OCC)C[NH+](CC(=O)NC1CCCC1)CC2 CCO[*:1] CCOc1cc2CC[NH+](CC(=O)NC3CCCC3)Cc2cc1[*:1]
COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(C)cc3C)c2)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)NS(=O)(=O)c1cccc(c1)NC(=O)[*:1]
COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(C)cc3C)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C(=O)Nc2cccc(c2)S(=O)(=O)N[*:1])c(C)c1
C=CCC[C@H](C)OC(=O)Cc1c(C)nn(C)c1C C=CCC[*:1] Cc1nn(C)c(C)c1CC(=O)O[C@@H](C)[*:1]
C=CCC[C@H](C)OC(=O)Cc1c(C)nn(C)c1C C=CC[*:1] Cc1nn(C)c(C)c1CC(=O)O[C@@H](C)C[*:1]
C=CCC[C@H](C)OC(=O)Cc1c(C)nn(C)c1C C=CCC[C@H](C)[*:1] Cc1nn(C)c(C)c1CC(=O)O[*:1]
CCOc1ccc(S(=O)(=O)NCC(C)C)c2ccccc12 CCO[*:1] CC(C)CNS(=O)(=O)c1ccc(c2ccccc12)[*:1]
CCOc1ccc(S(=O)(=O)NCC(C)C)c2ccccc12 CC(C)C[*:1] CCOc1ccc(c2ccccc12)S(=O)(=O)N[*:1]
CCOc1ccc(S(=O)(=O)NCC(C)C)c2ccccc12 CC(C)[*:1] CCOc1ccc(c2ccccc12)S(=O)(=O)NC[*:1]
Cc1oc2nc(SCC(=O)N3CCc4sccc4C3)nc(NC(=O)c3ccccc3)c2c1C O=C(N[*:1])c1ccccc1 Cc1oc2nc(nc(c2c1C)[*:1])SCC(=O)N1CCc2sccc2C1
Cc1oc2nc(SCC(=O)N3CCc4sccc4C3)nc(NC(=O)c3ccccc3)c2c1C c1ccc(cc1)[*:1] Cc1oc2nc(nc(NC(=O)[*:1])c2c1C)SCC(=O)N1CCc2sccc2C1
Cc1oc2nc(SCC(=O)N3CCc4sccc4C3)nc(NC(=O)c3ccccc3)c2c1C O=C(N1CCc2sccc2C1)[*:1] Cc1oc2nc(nc(NC(=O)c3ccccc3)c2c1C)SC[*:1]
C/C(=N\Nc1nc(SCC(=O)Nc2ccccn2)n[nH]1)c1cccs1 c1ccc(nc1)[*:1] C/C(=N\Nc1nc(n[nH]1)SCC(=O)N[*:1])c1cccs1
C/C(=N\Nc1nc(SCC(=O)Nc2ccccn2)n[nH]1)c1cccs1 c1csc(c1)[*:1] CC(=NNc1nc(n[nH]1)SCC(=O)Nc1ccccn1)[*:1]
CC(C)[C@H](CNC(=O)N1CCOC[C@H]1C)N1CC[NH+](C)CC1 CC(C)[*:1] C[C@@H]1COCCN1C(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1]
CCc1nn(C)cc1C[NH2+][C@H](c1ccco1)c1ccccc1OC c1coc(c1)[*:1] CCc1nn(C)cc1C[NH2+][C@H](c1ccccc1OC)[*:1]
CCc1nn(C)cc1C[NH2+][C@H](c1ccco1)c1ccccc1OC CCc1nn(C)cc1[*:1] COc1ccccc1[C@H]([NH2+]C[*:1])c1ccco1
CCc1nn(C)cc1C[NH2+][C@H](c1ccco1)c1ccccc1OC COc1ccccc1[*:1] CCc1nn(C)cc1C[NH2+][C@H](c1ccco1)[*:1]
CCOC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)cc1 CCOC(=O)[*:1] O=C1N[C@H]2CCCC[C@@H]2N(C(=O)Nc2ccc(Cl)cc2)[C@@H]1C[*:1]
CCOC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)N[*:1]
CCOC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)cc1 CCOC(=O)C[*:1] O=C1N[C@H]2CCCC[C@@H]2N(C(=O)Nc2ccc(Cl)cc2)[C@@H]1[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H]1[C@H](CCN1C(=O)CCC[*:1])C(=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCC1CCCCC1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)CCCC1CCCCC1)[*:1]
COc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)c(OC)c1 O=C([O-])[*:1] COc1ccc(C(=O)N2CCC(CC2)[*:1])c(c1)OC
C=CC[NH+](CC(=O)[O-])CC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C=CC[NH+](CC(=O)[O-])CC(=O)N[*:1]
C=CC[NH+](CC(=O)[O-])CC(=O)Nc1ccccc1 O=C([O-])[*:1] C=CC[NH+](CC(=O)Nc1ccccc1)C[*:1]
CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 CC(C)[*:1] O=C(OC[*:1])N1CCC(CC1)[NH2+]C[C@H]1CCS(=O)(=O)C1
CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 CC(C)C[*:1] O=C(O[*:1])N1CCC(CC1)[NH2+]C[C@H]1CCS(=O)(=O)C1
Cc1nn(-c2ccccc2)cc1/C=N\O ON=C[*:1] Cc1nn(cc1[*:1])-c1ccccc1
C[C@@H]1CCC[C@H](Oc2ccc(F)cc2C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1CCC[C@@H](C1)Oc1ccc(F)cc1[*:1]
CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)Cc1ccccc1F COc1ccc(cc1)[*:1] CCN(C[*:1])C(=O)[C@H](C)Cc1ccccc1F
CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)Cc1ccccc1F Fc1ccccc1[*:1] CCN(Cc1ccc(cc1)OC)C(=O)[C@H](C)C[*:1]
CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)Cc1ccccc1F Fc1ccccc1C[*:1] CCN(Cc1ccc(cc1)OC)C(=O)[C@H](C)[*:1]
CCOC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CC(Cc2ccccc2)=NO1 c1ccc(cc1)C[*:1] CCOC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CC(=NO1)[*:1]
CCOC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CC(Cc2ccccc2)=NO1 CCOC(=O)C[*:1] O=C([C@H]1CC(Cc2ccccc2)=NO1)N1CCCC[C@@H]1[*:1]
CCOC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CC(Cc2ccccc2)=NO1 c1ccc(cc1)[*:1] CCOC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CC(C[*:1])=NO1
CCOC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CC(Cc2ccccc2)=NO1 CCOC(=O)[*:1] O=C([C@H]1CC(Cc2ccccc2)=NO1)N1CCCC[C@@H]1C[*:1]
CCc1noc(CS[C@H](C)C(=O)NCc2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCc1noc(CS[C@H](C)C(=O)NC[*:1])n1
CCc1noc(CS[C@H](C)C(=O)NCc2ccc(C)cc2)n1 CCc1noc(n1)[*:1] Cc1ccc(cc1)CNC(=O)[C@@H](C)SC[*:1]
Cc1cscc1CNc1cnc(C(N)=S)cn1 NC(=S)[*:1] Cc1cscc1CNc1cnc(cn1)[*:1]
NC(=O)c1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cn1 NC(=O)[*:1] O=C(Nc1ccc(nc1)[*:1])c1c(Cl)ccc(Cl)c1Cl
C=CCc1ccccc1O[C@H](C)c1ccc(C(=O)OC)o1 C=CC[*:1] COC(=O)c1ccc(o1)[C@@H](C)Oc1ccccc1[*:1]
C=CCc1ccccc1O[C@H](C)c1ccc(C(=O)OC)o1 COC(=O)[*:1] C=CCc1ccccc1O[C@H](C)c1ccc(o1)[*:1]
Cc1c(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)oc2c1[C@H]1N=NC=C1CC2 c1ccc(cc1)[*:1] Cc1c(oc2CCC3=CN=N[C@@H]3c21)C(=O)NCCC[NH+]1CCN(CC1)C[*:1]
Cc1c(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)oc2c1[C@H]1N=NC=C1CC2 c1ccc(cc1)C[*:1] Cc1c(oc2CCC3=CN=N[C@@H]3c21)C(=O)NCCC[NH+]1CCN(CC1)[*:1]
C[C@H](Cc1cccc2c1OC(C)(C)C2)C(=O)[O-] O=C([O-])[*:1] C[C@H](Cc1cccc2CC(C)(C)Oc12)[*:1]
CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 CC(C)[*:1] CS(=O)(=O)N1CC[C@@H](Oc2ccccc21)C(=O)Nc1ccccc1C(=O)NC[*:1]
CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 CC(C)CNC(=O)[*:1] CS(=O)(=O)N1CC[C@@H](Oc2ccccc21)C(=O)Nc1ccccc1[*:1]
CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 CC(C)C[*:1] CS(=O)(=O)N1CC[C@@H](Oc2ccccc21)C(=O)Nc1ccccc1C(=O)N[*:1]
CCOC[C@H](O)[C@](C)(CC)[NH+]1CCCC1 CCOC[*:1] CC[C@@](C)([C@@H](O)[*:1])[NH+]1CCCC1
CCOC[C@H](O)[C@](C)(CC)[NH+]1CCCC1 CCO[*:1] CC[C@@](C)([C@@H](O)C[*:1])[NH+]1CCCC1
C[NH2+][C@H](c1ccn(Cc2ccc(F)cc2Br)c1)C(C)C CC(C)[*:1] C[NH2+][C@H](c1ccn(c1)Cc1ccc(F)cc1Br)[*:1]
Cc1ccsc1-c1cccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)c1 C1CC1[*:1] Cc1ccsc1-c1cccc(c1)NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccsc1-c1cccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)c1 Cc1ccsc1[*:1] O=C(Nc1cccc(c1)[*:1])C1CCN(CC1)C(=O)C1CC1
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)[*:1]
COc1ncccc1C(=O)NCc1cccnc1Oc1ccccc1F Fc1ccccc1O[*:1] COc1ncccc1C(=O)NCc1cccnc1[*:1]
COc1ncccc1C(=O)NCc1cccnc1Oc1ccccc1F Fc1ccccc1[*:1] COc1ncccc1C(=O)NCc1cccnc1O[*:1]
COc1ncccc1C(=O)NCc1cccnc1Oc1ccccc1F COc1ncccc1[*:1] O=C(NCc1cccnc1Oc1ccccc1F)[*:1]
O=C(O[C@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc(C(=O)N2CCCC2)n1 O=C(N1CCCC1)[*:1] O=C(O[C@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc(n1)[*:1]
Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1c(Cl)cccc1NC(=O)c1nnn(CC(=O)N[*:1])c1C
Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1Cl Cc1c(Cl)cccc1[*:1] Cc1ccc(cc1Cl)NC(=O)Cn1nnc(C(=O)N[*:1])c1C
COc1ccc(-n2c(CN3CCC(C#N)CC3)nc3ccccc32)cc1 N#CC1CCN(CC1)[*:1] COc1ccc(cc1)-n1c(C[*:1])nc2ccccc21
COc1ccc(-n2c(CN3CCC(C#N)CC3)nc3ccccc32)cc1 COc1ccc(cc1)[*:1] N#CC1CCN(CC1)Cc1nc2ccccc2n1[*:1]
Cn1ncnc1/N=C(\[O-])N1CCc2sc(Br)cc2C1 Cn1ncnc1[*:1] [O-]C(=N[*:1])N1CCc2sc(Br)cc2C1
O=C(C[C@@H]1C(=O)Nc2c(-c3ccc(F)cc3)cnn21)Nc1ccc(Cl)cc1Cl Fc1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)Nc2c(cnn21)[*:1])Nc1ccc(Cl)cc1Cl
O=C(C[C@@H]1C(=O)Nc2c(-c3ccc(F)cc3)cnn21)Nc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(C[C@@H]1C(=O)Nc2c(cnn21)-c1ccc(F)cc1)N[*:1]
Cc1ccc(C#N)cc1NCc1nnc(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1ccc(C#N)cc1NCc1nnc(n1C)[*:1]
CC(C)(C)c1csc(NC(=O)c2csc(C#CCO)c2)n1 OCC#C[*:1] CC(C)(C)c1csc(n1)NC(=O)c1csc(c1)[*:1]
CC(C)(C)c1csc(NC(=O)c2csc(C#CCO)c2)n1 CC(C)(C)[*:1] O=C(Nc1nc(cs1)[*:1])c1csc(C#CCO)c1
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCOCC1 O=[N+]([O-])[*:1] CCOC(=O)c1cc(cnc1N1CCOCC1)[*:1]
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCOCC1 C1CN(CCO1)[*:1] CCOC(=O)c1cc(cnc1[*:1])[N+](=O)[O-]
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCOCC1 CCOC(=O)[*:1] O=[N+]([O-])c1cnc(c(c1)[*:1])N1CCOCC1
CN(Cc1ncnn1C)Cn1c(=O)oc2ccccc21 Cn1ncnc1[*:1] CN(Cn1c(=O)oc2ccccc21)C[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)N(C)CCOC)cc1Cl COC[*:1] CCN(CC)C(=O)c1ccc(cc1Cl)NC(=O)N(C)C[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)N(C)CCOC)cc1Cl CCN(CC)C(=O)[*:1] COCCN(C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)N(C)CCOC)cc1Cl COCC[*:1] CCN(CC)C(=O)c1ccc(cc1Cl)NC(=O)N(C)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](C)C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)O[C@@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](C)C(=O)N2CCCC2)cc1 C[C@@H](C(=O)N1CCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)O[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](C)C(=O)N2CCCC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1])C(=O)N1CCCC1
COc1ccc([C@@H]2CC(=O)Nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)c32)cc1O FC(F)(F)c1cccc(c1)[*:1] COc1ccc(cc1O)[C@@H]1CC(=O)Nc2sc(C(=O)N[*:1])c(C)c21
COc1ccc([C@@H]2CC(=O)Nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)c32)cc1O COc1ccc(cc1O)[*:1] Cc1c(sc2NC(=O)C[C@H](c21)[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
COc1ccc([C@@H]2CC(=O)Nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)c32)cc1O FC(F)(F)[*:1] COc1ccc(cc1O)[C@@H]1CC(=O)Nc2sc(C(=O)Nc3cccc(c3)[*:1])c(C)c21
COc1ccc(OC)c([C@H](c2sc3nc(C)nn3c2O)N2CCN(C(C)=O)CC2)c1 COc1ccc(OC)c(c1)[*:1] CC(=O)N1CCN(CC1)[C@@H](c1sc2nc(C)nn2c1O)[*:1]
COc1ccc(OC)c([C@H](c2sc3nc(C)nn3c2O)N2CCN(C(C)=O)CC2)c1 CC(=O)N1CCN(CC1)[*:1] COc1ccc(OC)c(c1)[C@H](c1sc2nc(C)nn2c1O)[*:1]
CCSc1nnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)s1 CCSc1nnc(s1)[*:1] O=C(CS[*:1])N1CCN(CC1)C(=O)c1ccco1
CCSc1nnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)s1 CCS[*:1] O=C(CSc1nnc(s1)[*:1])N1CCN(CC1)C(=O)c1ccco1
CCSc1nnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)s1 c1coc(c1)[*:1] CCSc1nnc(SCC(=O)N2CCN(CC2)C(=O)[*:1])s1
C[C@@H](C(=O)[O-])[C@@H](C)C(=O)c1cc(Cl)c2c(c1)OCCCO2 O=C([O-])[*:1] C[C@@H](C(=O)c1cc(Cl)c2OCCCOc2c1)[C@H](C)[*:1]
C[NH+](CCNc1ncnc2onc(-c3ccc(F)cc3)c12)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCNc1ncnc2onc(-c3ccc(F)cc3)c12)[*:1]
C[NH+](CCNc1ncnc2onc(-c3ccc(F)cc3)c12)C1CCCCC1 Fc1ccc(cc1)[*:1] C[NH+](CCNc1ncnc2onc(c12)[*:1])C1CCCCC1
CC(=O)CCc1ccc(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 CC(=O)[*:1] NC(=O)c1ccc(Oc2ccc(cc2)CC[*:1])c(c1)[N+](=O)[O-]
CC(=O)CCc1ccc(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 CC(=O)C[*:1] NC(=O)c1ccc(Oc2ccc(cc2)C[*:1])c(c1)[N+](=O)[O-]
CC(=O)CCc1ccc(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 CC(=O)CC[*:1] NC(=O)c1ccc(Oc2ccc(cc2)[*:1])c(c1)[N+](=O)[O-]
CC(=O)CCc1ccc(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 NC(=O)[*:1] CC(=O)CCc1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])[*:1]
CC(=O)CCc1ccc(Oc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)CCc1ccc(cc1)Oc1ccc(cc1[*:1])C(N)=O
Cc1nn2c(nnc3c(=O)n(C4CCCCC4)cnc32)c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn2c(nnc3c(=O)n(cnc32)C2CCCCC2)c1[*:1]
Cc1nn2c(nnc3c(=O)n(C4CCCCC4)cnc32)c1-c1ccc(F)cc1 C1CCC(CC1)[*:1] Cc1nn2c(nnc3c(=O)n(cnc32)[*:1])c1-c1ccc(F)cc1
Cc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)o2)cc1C Cc1ccc(cc1C)[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)C(=O)CSc1nnc(o1)[*:1]
C(=N/CCCn1ccnc1)\c1ccc2c(c1)OCO2 c1cn(cn1)[*:1] C(=N/CCC[*:1])\c1ccc2OCOc2c1
C(=N/CCCn1ccnc1)\c1ccc2c(c1)OCO2 c1cn(cn1)C[*:1] C(=N/CC[*:1])\c1ccc2OCOc2c1
CC(C)Oc1ccc(CN2C(=O)c3ccncc3C2=O)cc1 CC(C)O[*:1] O=C1c2ccncc2C(=O)N1Cc1ccc(cc1)[*:1]
CC(C)Oc1ccc(CN2C(=O)c3ccncc3C2=O)cc1 CC(C)[*:1] O=C1c2ccncc2C(=O)N1Cc1ccc(cc1)O[*:1]
CNS(=O)(=O)c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(cc1)NC(=O)CC[*:1]
CNS(=O)(=O)c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 CNS(=O)(=O)[*:1] N#Cc1ccc(cc1)CCC(=O)Nc1ccc(cc1)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(Br)cc1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)Nc1ccc(Br)cc1
CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)N[*:1]
CCC[C@H]([NH2+]C)c1ccn(Cc2ccc(Cl)cc2)c1 CCC[*:1] C[NH2+][C@H](c1ccn(c1)Cc1ccc(Cl)cc1)[*:1]
C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3cccs3)c[nH+]2)C[C@@H](C)O1 c1csc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)N(C)C[*:1]
C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3cccs3)c[nH+]2)C[C@@H](C)O1 c1csc(c1)C[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)N(C)[*:1]
CCc1[nH]c(C(=O)OCC(=O)N2CCOCC2)c(C)c1C(=O)OC O=C(N1CCOCC1)[*:1] CCc1[nH]c(C(=O)OC[*:1])c(C)c1C(=O)OC
CCc1[nH]c(C(=O)OCC(=O)N2CCOCC2)c(C)c1C(=O)OC COC(=O)[*:1] CCc1[nH]c(C(=O)OCC(=O)N2CCOCC2)c(C)c1[*:1]
COc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3C)cc2)c1 COc1cccc(c1)[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)[C@H]1SCC(=O)N1[*:1]
COc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3C)cc2)c1 Cc1ccccc1[*:1] COc1cccc(c1)N1C(=O)CS[C@@H]1c1ccc(cc1)NC(=O)[*:1]
COc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3C)cc2)c1 Cc1ccccc1C(=O)N[*:1] COc1cccc(c1)N1C(=O)CS[C@@H]1c1ccc(cc1)[*:1]
CC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3c(F)cccc3Cl)nc2C1 Fc1cccc(Cl)c1[*:1] CC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)c2sc(nc2C1)NC(=O)[*:1]
CC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3c(F)cccc3Cl)nc2C1 CC[C@H]1CCCCN1C(=O)[*:1] O=C1C[C@H](Cc2nc(NC(=O)c3c(F)cccc3Cl)sc21)[*:1]
CCOC(=O)c1ccc(NC(=O)c2cccnc2N2CCCC2)cc1 C1CCN(C1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1cccnc1[*:1]
CCOC(=O)c1ccc(NC(=O)c2cccnc2N2CCCC2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccnc1N1CCCC1
CCOC(=O)C1CCN(Cc2cn3c(C)cccc3[nH+]2)CC1 CCOC(=O)[*:1] Cc1cccc2[nH+]c(cn12)CN1CCC(CC1)[*:1]
CCOC(=O)c1[nH]ncc1C[NH+]1CCC(N2CCCNC2=O)CC1 CCOC(=O)[*:1] O=C1NCCCN1C1CC[NH+](CC1)Cc1cn[nH]c1[*:1]
CCOC(=O)c1[nH]ncc1C[NH+]1CCC(N2CCCNC2=O)CC1 O=C1NCCCN1[*:1] CCOC(=O)c1[nH]ncc1C[NH+]1CCC(CC1)[*:1]
CC(C)Cc1cn(C[C@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)nn1 CC(C)C[*:1] O=C(c1cc(n[nH]1)C1CC1)N1CCC[C@@H](C1)Cn1cc(nn1)[*:1]
CC(C)Cc1cn(C[C@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)nn1 CC(C)[*:1] O=C(c1cc(n[nH]1)C1CC1)N1CCC[C@@H](C1)Cn1cc(C[*:1])nn1
CC(C)Cc1cn(C[C@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)nn1 C1CC1[*:1] CC(C)Cc1cn(C[C@H]2CCCN(C2)C(=O)c2cc(n[nH]2)[*:1])nn1
CC(C)Cc1cn(C[C@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)nn1 c1c(n[nH]c1[*:1])C1CC1 CC(C)Cc1cn(C[C@H]2CCCN(C2)C(=O)[*:1])nn1
CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCC(=O)N(C)C1 CC(C)C[C@@H](C)[*:1] CN1C[C@H](CCC1=O)NC(=O)CCO[*:1]
CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCC(=O)N(C)C1 CC(C)C[*:1] C[C@@H](OCCC(=O)N[C@H]1CCC(=O)N(C)C1)[*:1]
CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCC(=O)N(C)C1 CC(C)[*:1] C[C@H](C[*:1])OCCC(=O)N[C@H]1CCC(=O)N(C)C1
CCOC(=O)[C@@]1(C[C@H]2CC(c3ccccc3C)=NO2)CCCN(C(C)=O)C1 CCOC(=O)[*:1] CC(=O)N1CCC[C@](C[C@H]2CC(=NO2)c2ccccc2C)(C1)[*:1]
CCOC(=O)[C@@]1(C[C@H]2CC(c3ccccc3C)=NO2)CCCN(C(C)=O)C1 Cc1ccccc1[*:1] CCOC(=O)[C@]1(CCCN(C1)C(C)=O)C[C@H]1CC(=NO1)[*:1]
CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1 c1ccc(cc1)[*:1] CCNC(=O)[C@]1(CCCN(C1)C(=O)c1cnccn1)Cc1ccc(cc1)[*:1]
CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1 CCNC(=O)[*:1] O=C(c1cnccn1)N1CCC[C@](Cc2ccc(cc2)-c2ccccc2)(C1)[*:1]
CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1 c1cnc(cn1)[*:1] CCNC(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1ccc(cc1)-c1ccccc1
NC(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] NC(=O)Nc1ccc(cc1)O[*:1]
NC(=O)Nc1ccc(OC2CCCC2)cc1 NC(=O)N[*:1] c1cc(ccc1OC1CCCC1)[*:1]
CCNC(=O)CCCOc1cccc(C)c1 CCNC(=O)[*:1] Cc1cccc(c1)OCCC[*:1]
NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)cc1 NS(=O)(=O)[*:1] O=S(=O)(N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)c1ccc(cc1)[*:1]
O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)N1CCC[C@@H]1C1CCCC1 C1CCC(C1)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)N1CCC[C@H]1[*:1]
COc1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)-c1n[nH]c(=S)n1CC(=O)N[*:1]
COc1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)Cn1c(n[nH]c1=S)[*:1]
Cc1[nH]ncc1CCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O Cc1[nH]ncc1CC[*:1] O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[*:1]
Cc1[nH]ncc1CCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O Cc1[nH]ncc1[*:1] O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCC[*:1]
Cc1[nH]ncc1CCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O Cc1[nH]ncc1C[*:1] O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC[*:1]
COc1ccc([C@H](C)N(C)C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)N[C@@H](C)[*:1]
CCC[C@]1(C)NC(=O)N(C[C@@H](O)COc2c(Cl)cccc2Cl)C1=O CCC[*:1] C[C@@]1(NC(=O)N(C[C@@H](O)COc2c(Cl)cccc2Cl)C1=O)[*:1]
CCC[C@]1(C)NC(=O)N(C[C@@H](O)COc2c(Cl)cccc2Cl)C1=O Clc1cccc(Cl)c1[*:1] CCC[C@]1(C)NC(=O)N(C[C@@H](O)CO[*:1])C1=O
O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(F)cc1 C1CN(CCO1)[*:1] O=C(N[C@@H](C(Cl)(Cl)Cl)[*:1])c1ccc(F)cc1
O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)[*:1]
O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(F)cc1 ClC(Cl)(Cl)[*:1] O=C(N[C@@H](N1CCOCC1)[*:1])c1ccc(F)cc1
COc1ccc(Cl)cc1C[NH2+]CCN(C)C CN(C)C[*:1] COc1ccc(Cl)cc1C[NH2+]C[*:1]
COc1ccc(Cl)cc1C[NH2+]CCN(C)C CN(C)[*:1] COc1ccc(Cl)cc1C[NH2+]CC[*:1]
COc1ccc(Cl)cc1C[NH2+]CCN(C)C CN(C)CC[*:1] COc1ccc(Cl)cc1C[NH2+][*:1]
Cc1coc2cc3oc(=O)c(CC(=O)NC4CC4)c(C)c3cc12 C1CC1[*:1] Cc1coc2cc3oc(=O)c(CC(=O)N[*:1])c(C)c3cc12
Cc1coc2cc3oc(=O)c(CC(=O)NC4CC4)c(C)c3cc12 O=C(NC1CC1)[*:1] Cc1coc2cc3oc(=O)c(C[*:1])c(C)c3cc12
Cc1coc2cc3oc(=O)c(CC(=O)NC4CC4)c(C)c3cc12 O=C(C[*:1])NC1CC1 Cc1coc2cc3oc(=O)c(c(C)c3cc12)[*:1]
CN(C1CC1)S(=O)(=O)CC(=O)[O-] O=C([O-])C[*:1] CN(C1CC1)S(=O)(=O)[*:1]
CN(C1CC1)S(=O)(=O)CC(=O)[O-] C1CC1[*:1] CN(S(=O)(=O)CC(=O)[O-])[*:1]
CN(C1CC1)S(=O)(=O)CC(=O)[O-] O=C([O-])[*:1] CN(C1CC1)S(=O)(=O)C[*:1]
Cc1nc(-c2cccc(CNC(=O)COC[C@H]3CCCO3)c2)n[nH]1 C1CO[C@H](C1)COC[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)[*:1]
Cc1nc(-c2cccc(CNC(=O)COC[C@H]3CCCO3)c2)n[nH]1 C1CO[C@H](C1)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)COC[*:1]
Cc1nc(-c2cccc(CNC(=O)COC[C@H]3CCCO3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(COC[C@H]1CCCO1)NCc1cccc(c1)[*:1]
CCNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1 CCNC(=O)[*:1] O=C(/C=C/c1ccccc1)N/C(=C\c1ccco1)[*:1]
CCNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)/C(=C/c1ccco1)NC(=O)C=C[*:1]
CCNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1 c1coc(c1)[*:1] CCNC(=O)C(=C[*:1])NC(=O)/C=C/c1ccccc1
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccnc1 c1cncc(c1)[*:1] C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)[*:1]
O=C(Nc1cc(F)ccc1F)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cc(F)ccc1F)C(=O)N[C@H]1CCCC[C@@H]1O[*:1]
O=C(Nc1cc(F)ccc1F)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 Fc1ccc(F)c(c1)[*:1] O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)C(=O)N[*:1]
O=C(Nc1cc(F)ccc1F)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(Nc1cc(F)ccc1F)C(=O)N[C@H]1CCCC[C@H]1[*:1]
COc1ccc(OCCC(CO)CO)cc1 OCC(CO)[*:1] COc1ccc(cc1)OCC[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)Nc1cnn(-c2ncccn2)c1 CC(C)NC(=O)[*:1] C[C@@H](C[*:1])NC(=O)Nc1cnn(c1)-c1ncccn1
CC(C)NC(=O)C[C@H](C)NC(=O)Nc1cnn(-c2ncccn2)c1 CC(C)NC(=O)C[*:1] C[C@H](NC(=O)Nc1cnn(c1)-c1ncccn1)[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)Nc1cnn(-c2ncccn2)c1 CC(C)[*:1] C[C@@H](CC(=O)N[*:1])NC(=O)Nc1cnn(c1)-c1ncccn1
CC(C)NC(=O)C[C@H](C)NC(=O)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] CC(C)NC(=O)C[C@H](C)NC(=O)Nc1cnn(c1)[*:1]
Cc1[nH]c[nH+]c1[C@H]1C(c2ccccc2)=NCN1CCC1=CCCCC1 c1ccc(cc1)[*:1] Cc1[nH]c[nH+]c1[C@H]1C(=NCN1CCC1=CCCCC1)[*:1]
COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)cc1 COc1ccc(cc1)[*:1] C[C@H]([NH2+]C[C@@H]1CCCN(C1)c1ncccn1)[C@H](C)[*:1]
COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] COc1ccc(cc1)[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN(C1)[*:1]
O=C(Cc1cccc(Cl)c1)NNC(=O)c1csc(N2CCOCC2)n1 Clc1cccc(c1)[*:1] O=C(C[*:1])NNC(=O)c1csc(n1)N1CCOCC1
O=C(Cc1cccc(Cl)c1)NNC(=O)c1csc(N2CCOCC2)n1 C1CN(CCO1)[*:1] O=C(Cc1cccc(Cl)c1)NNC(=O)c1csc(n1)[*:1]
O=C(Cc1cccc(Cl)c1)NNC(=O)c1csc(N2CCOCC2)n1 Clc1cccc(c1)C[*:1] O=C(NNC(=O)[*:1])c1csc(n1)N1CCOCC1
CS[C@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N(CC[NH+](C)C)C[*:1]
CC[C@@H](C)n1ccc(C[C@@H](C[NH3+])c2ccc(Br)cc2)n1 CC[C@@H](C)[*:1] [NH3+]C[C@H](Cc1ccn(n1)[*:1])c1ccc(Br)cc1
CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(OC)c(Cl)c1 COc1ccc(cc1Cl)[*:1] CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[*:1]
CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(OC)c(Cl)c1 CCNC(=O)NC(=O)[*:1] COc1ccc(cc1Cl)-n1c(nc2ccccc2c1=O)S[C@@H](C)[*:1]
Cc1cccc(CNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 Cc1cccc(n1)[*:1] O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[*:1]
C=CC[NH+](CC(=O)[O-])Cc1cccc2ccccc12 O=C([O-])[*:1] C=CC[NH+](Cc1cccc2ccccc12)C[*:1]
Cc1cc2c(cc1C)[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)CCO2 O[C@H]1CCCC[C@@H]1[*:1] Cc1cc2OCC[C@@H]([NH2+]CCC[*:1])c2cc1C
Cc1ccc(Cn2c(=O)c(N3CCC[C@@H](C(=O)NCc4ccc(C)o4)C3)nc3ccccc32)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(CNC(=O)[C@@H]2CCCN(C2)c2nc3ccccc3n(c2=O)[*:1])o1
Cc1ccc(Cn2c(=O)c(N3CCC[C@@H](C(=O)NCc4ccc(C)o4)C3)nc3ccccc32)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(CNC(=O)[C@@H]2CCCN(C2)c2nc3ccccc3n(C[*:1])c2=O)o1
Cc1ccc(Cn2c(=O)c(N3CCC[C@@H](C(=O)NCc4ccc(C)o4)C3)nc3ccccc32)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)Cn1c(=O)c(nc2ccccc21)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1ccc(Cn2c(=O)c(N3CCC[C@@H](C(=O)NCc4ccc(C)o4)C3)nc3ccccc32)cc1 Cc1ccc(CNC(=O)[*:1])o1 Cc1ccc(cc1)Cn1c(=O)c(nc2ccccc21)N1CCC[C@@H](C1)[*:1]
Cc1ccc(Cn2c(=O)c(N3CCC[C@@H](C(=O)NCc4ccc(C)o4)C3)nc3ccccc32)cc1 Cc1ccc(C[*:1])o1 Cc1ccc(cc1)Cn1c(=O)c(nc2ccccc21)N1CCC[C@H](C1)C(=O)N[*:1]
O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCCc1cccs1 c1csc(c1)[*:1] O=C(CCC(=O)c1ccc2OCCOc2c1)NCC[*:1]
O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(CCC(=O)c1ccc2OCCOc2c1)N[*:1]
O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCCc1cccs1 c1csc(c1)C[*:1] O=C(CCC(=O)c1ccc2OCCOc2c1)NC[*:1]
CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1 C1CCCC(CC1)[*:1] CCS(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC(C)c1ocnc1CN1C(=O)CN(C)C1=O CC(C)[*:1] CN1CC(=O)N(Cc2ncoc2[*:1])C1=O
Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] CC(C)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1Cl CC(C)C[*:1] Cc1ccc(cc1Cl)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1Cl CC(C)[*:1] Cc1ccc(cc1Cl)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
Cc1noc(C)c1CCC(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] O=C([O-])[*:1] Cc1noc(C)c1CCC(=O)N1CCC2(CC1)NC(=O)C[C@H]2[*:1]
Cc1noc(C)c1CCC(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] Cc1noc(C)c1C[*:1] O=C1C[C@H](C(=O)[O-])C2(CCN(CC2)C(=O)C[*:1])N1
Cc1noc(C)c1CCC(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] Cc1noc(C)c1[*:1] O=C1C[C@H](C(=O)[O-])C2(CCN(CC2)C(=O)CC[*:1])N1
COc1ccc2oc(/C=C/C(=O)NCc3ccccc3)cc2c1 c1ccc(cc1)C[*:1] COc1ccc2oc(/C=C/C(=O)N[*:1])cc2c1
COc1ccc2oc(/C=C/C(=O)NCc3ccccc3)cc2c1 c1ccc(cc1)[*:1] COc1ccc2oc(/C=C/C(=O)NC[*:1])cc2c1
C=CCn1c(SCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)nnc1-c1ccccc1 c1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)N[C@H]1CCC[C@H](C)[C@H]1C
C=CCn1c(SCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)nnc1-c1ccccc1 C=CC[*:1] C[C@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccccc3)n2[*:1])[C@@H]1C
Cc1cccc(OCC(=O)NCCc2csc(C)n2)c1 Cc1nc(cs1)[*:1] Cc1cccc(c1)OCC(=O)NCC[*:1]
Cc1ccc2oc(C(=O)N[C@H](C)C(=O)N3CCCCC3)c(C)c2c1 O=C(N1CCCCC1)[*:1] Cc1ccc2oc(C(=O)N[C@H](C)[*:1])c(C)c2c1
CN(C)c1ccc(/C=N/NC(=O)[C@H]2C=CN=N2)cc1 CN(C)[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])[C@H]1C=CN=N1
O=C(OCc1nncn1C1CC1)C1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(OCc1nncn1C1CC1)C1(CC1)[*:1]
O=C(OCc1nncn1C1CC1)C1(c2ccc(Cl)cc2)CC1 C1CC1[*:1] O=C(OCc1nncn1[*:1])C1(CC1)c1ccc(Cl)cc1
COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1S(=O)(=O)NC(C)C CC(C)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N[C@@H]1CCCC[C@@H]1C
COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1S(=O)(=O)NC(C)C CC(C)NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)N[C@@H]1CCCC[C@@H]1C
CC(C)[C@H](CNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1)N1CC[NH+](C)CC1 CC(C)(C)c1nnc(s1)[*:1] CC(C)[C@H](CNC(=O)C(=O)N[*:1])N1CC[NH+](C)CC1
CC(C)[C@H](CNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1)N1CC[NH+](C)CC1 CC(C)(C)[*:1] CC(C)[C@H](CNC(=O)C(=O)Nc1nnc(s1)[*:1])N1CC[NH+](C)CC1
CC(C)[C@H](CNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)C(=O)Nc1nnc(s1)C(C)(C)C)[*:1]
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NCc1ncoc1C Cc1ocnc1C[*:1] Cc1nc(sc1C(=O)N[*:1])C(C)(C)c1ccccc1
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NCc1ncoc1C c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NCc1ncoc1C)C(C)(C)[*:1]
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NCc1ncoc1C Cc1ocnc1[*:1] Cc1nc(sc1C(=O)NC[*:1])C(C)(C)c1ccccc1
Cn1c(=O)c2[nH]c(CN3CCOC[C@@H]3CCO)nc2n(C)c1=O OCC[*:1] Cn1c(=O)c2[nH]c(CN3CCOC[C@H]3[*:1])nc2n(C)c1=O
CCN(Cc1ccccc1I)C(=O)[C@@H]([NH3+])C(C)C CC(C)[*:1] CCN(Cc1ccccc1I)C(=O)[C@@H]([NH3+])[*:1]
CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 CC(=O)N1CCC[C@H]1[*:1] CC(C)Oc1ccc(cc1)CC[C@H](C)NC(=O)[*:1]
CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 CC(C)[*:1] CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCc1ccc(cc1)O[*:1]
CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 CC(C)O[*:1] CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCc1ccc(cc1)[*:1]
Cc1ccc(-c2coc3cc4oc(=O)ccc4cc23)cc1 Cc1ccc(cc1)[*:1] O=c1ccc2cc3c(coc3cc2o1)[*:1]
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@@H](SCC(=O)OC(C)(C)C)N3N2)cc1 CC(C)(C)OC(=O)CS[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@@H](N2N1)[*:1]
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@@H](SCC(=O)OC(C)(C)C)N3N2)cc1 CC(C)(C)OC(=O)[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@@H](SC[*:1])N2N1
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@@H](SCC(=O)OC(C)(C)C)N3N2)cc1 CC(C)(C)OC(=O)C[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@@H](S[*:1])N2N1
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@@H](SCC(=O)OC(C)(C)C)N3N2)cc1 CCc1ccc(cc1)[*:1] CC(C)(C)OC(=O)CS[C@@H]1N=NC(=O)[C@H]2C=C(NN12)[*:1]
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@@H](SCC(=O)OC(C)(C)C)N3N2)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@@H](SCC(=O)O[*:1])N2N1
CC[C@H]1CCCCN1C(=O)CSCCOc1ccccc1F Fc1ccccc1[*:1] CC[C@H]1CCCCN1C(=O)CSCCO[*:1]
CC(C)c1cc(C(=O)N2CC3(CCCC3)c3ccccc32)n[nH]1 CC(C)[*:1] O=C(c1cc([nH]n1)[*:1])N1CC2(CCCC2)c2ccccc21
S=c1[nH]c2cnccc2n1CCC1CC1 C1CC1[*:1] S=c1[nH]c2cnccc2n1CC[*:1]
S=c1[nH]c2cnccc2n1CCC1CC1 C1CC1CC[*:1] S=c1[nH]c2cnccc2n1[*:1]
S=c1[nH]c2cnccc2n1CCC1CC1 C1CC1C[*:1] S=c1[nH]c2cnccc2n1C[*:1]
CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccccc3OCC(N)=O)n2)cc1 NC(=O)C[*:1] CC(C)(C)c1ccc(cc1)-c1csc(n1)NC(=O)c1ccccc1O[*:1]
CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccccc3OCC(N)=O)n2)cc1 CC(C)(C)[*:1] NC(=O)COc1ccccc1C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccccc3OCC(N)=O)n2)cc1 NC(=O)CO[*:1] CC(C)(C)c1ccc(cc1)-c1csc(n1)NC(=O)c1ccccc1[*:1]
CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccccc3OCC(N)=O)n2)cc1 NC(=O)[*:1] CC(C)(C)c1ccc(cc1)-c1csc(n1)NC(=O)c1ccccc1OC[*:1]
CCOC(=O)[C@H](NC(C)=O)C(=O)Nc1ccc(C(C)(C)C)cc1 CCOC(=O)[*:1] CC(=O)N[C@H](C(=O)Nc1ccc(cc1)C(C)(C)C)[*:1]
CCOC(=O)[C@H](NC(C)=O)C(=O)Nc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCOC(=O)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)[C@H](NC(C)=O)C(=O)Nc1ccc(C(C)(C)C)cc1 CC(=O)N[*:1] CCOC(=O)[C@H](C(=O)Nc1ccc(cc1)C(C)(C)C)[*:1]
O=C(COc1ccc(Br)cc1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(COc1ccc(Br)cc1)N1CCOC[C@H]1[*:1]
Cc1cc(F)ccc1CCNC(=O)c1ccc(CS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] Cc1cc(F)ccc1CCNC(=O)c1ccc(cc1)[*:1]
Cc1cc(F)ccc1CCNC(=O)c1ccc(CS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1cc(F)ccc1CCNC(=O)c1ccc(cc1)C[*:1]
Cc1cc(F)ccc1CCNC(=O)c1ccc(CS(C)(=O)=O)cc1 Cc1cc(F)ccc1[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)NCC[*:1]
COC(=O)[C@@]1(F)CCN(S(=O)(=O)CCC2CC2)C1 C1CC1[*:1] COC(=O)[C@@]1(F)CCN(C1)S(=O)(=O)CC[*:1]
COC(=O)[C@@]1(F)CCN(S(=O)(=O)CCC2CC2)C1 C1CC1CC[*:1] COC(=O)[C@@]1(F)CCN(C1)S(=O)(=O)[*:1]
COC(=O)[C@@]1(F)CCN(S(=O)(=O)CCC2CC2)C1 C1CC1C[*:1] COC(=O)[C@@]1(F)CCN(C1)S(=O)(=O)C[*:1]
COC(=O)[C@@]1(F)CCN(S(=O)(=O)CCC2CC2)C1 COC(=O)[*:1] O=S(=O)(CCC1CC1)N1CC[C@](F)(C1)[*:1]
O=C(CCc1nc(C2CC2)no1)NNc1ccc(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(CCc1nc(no1)C1CC1)NNc1ccc(nn1)[*:1]
O=C(CCc1nc(C2CC2)no1)NNc1ccc(-c2ccccc2)nn1 C1CC1c1noc(n1)[*:1] O=C(CC[*:1])NNc1ccc(nn1)-c1ccccc1
O=C(CCc1nc(C2CC2)no1)NNc1ccc(-c2ccccc2)nn1 C1CC1[*:1] O=C(CCc1nc(no1)[*:1])NNc1ccc(nn1)-c1ccccc1
COC(=O)[C@@]1(F)CCN(c2c(C#N)cnc3c(C)cc(C)cc23)C1 COC(=O)[*:1] Cc1cc(C)c2ncc(C#N)c(c2c1)N1CC[C@](F)(C1)[*:1]
NS(=O)(=O)CCNC(=O)c1cc2c(s1)CCCC2 NS(=O)(=O)C[*:1] O=C(NC[*:1])c1cc2CCCCc2s1
NS(=O)(=O)CCNC(=O)c1cc2c(s1)CCCC2 NS(=O)(=O)CC[*:1] O=C(N[*:1])c1cc2CCCCc2s1
NS(=O)(=O)CCNC(=O)c1cc2c(s1)CCCC2 NS(=O)(=O)[*:1] O=C(NCC[*:1])c1cc2CCCCc2s1
NC(=O)c1c(F)cccc1O[C@@H](F)C(=O)[O-] NC(=O)[*:1] O=C([O-])[C@H](F)Oc1cccc(F)c1[*:1]
NC(=O)c1c(F)cccc1O[C@@H](F)C(=O)[O-] O=C([O-])[*:1] NC(=O)c1c(F)cccc1O[C@@H](F)[*:1]
Cc1ccnc2c1nc([C@@H](C)Cl)n2Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ccnc2c1nc([C@@H](C)Cl)n2C[*:1]
Cc1ccnc2c1nc([C@@H](C)Cl)n2Cc1ccccc1 C[C@@H](Cl)[*:1] Cc1ccnc2c1nc(n2Cc1ccccc1)[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCN(CC1)c1nc2ccccc2n1[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 Fc1ccc(F)c(c1)[*:1] O=S(=O)(N1CCN(CC1)c1nc2ccccc2n1Cc1ccccc1)[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCN(CC1)c1nc2ccccc2n1C[*:1]
C[C@@H](Cn1cccn1)NC(=O)N(CC(=O)[O-])C(C)(C)C CC(C)(C)[*:1] C[C@@H](Cn1cccn1)NC(=O)N(CC(=O)[O-])[*:1]
C[C@@H](Cn1cccn1)NC(=O)N(CC(=O)[O-])C(C)(C)C c1cnn(c1)C[*:1] C[C@@H](NC(=O)N(CC(=O)[O-])C(C)(C)C)[*:1]
C[C@@H](Cn1cccn1)NC(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])C[*:1] C[C@@H](Cn1cccn1)NC(=O)N(C(C)(C)C)[*:1]
C[C@@H](Cn1cccn1)NC(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])[*:1] C[C@@H](Cn1cccn1)NC(=O)N(C[*:1])C(C)(C)C
C[C@@H](Cn1cccn1)NC(=O)N(CC(=O)[O-])C(C)(C)C c1cnn(c1)[*:1] C[C@@H](C[*:1])NC(=O)N(CC(=O)[O-])C(C)(C)C
COC(=O)c1ccc([C@H]([NH3+])CC(=O)[O-])cc1 COC(=O)[*:1] [NH3+][C@H](CC(=O)[O-])c1ccc(cc1)[*:1]
COC(=O)c1ccc([C@H]([NH3+])CC(=O)[O-])cc1 O=C([O-])[*:1] COC(=O)c1ccc(cc1)[C@H]([NH3+])C[*:1]
NCc1ccc(C(F)(F)F)nc1Sc1ncccn1 c1cnc(nc1)[*:1] NCc1ccc(nc1S[*:1])C(F)(F)F
NCc1ccc(C(F)(F)F)nc1Sc1ncccn1 FC(F)(F)[*:1] NCc1ccc(nc1Sc1ncccn1)[*:1]
CC(C)[C@@H](CO)NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](CO)NC(=O)[C@H]1CC=CC[C@@H]1[*:1]
CC(C)[C@@H](CO)NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] CC(C)[*:1] O=C(N[C@H](CO)[*:1])[C@H]1CC=CC[C@H]1C(=O)[O-]
CC(C)[C@@H](CO)NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] CC(C)[C@@H](CO)[*:1] O=C(N[*:1])[C@H]1CC=CC[C@H]1C(=O)[O-]
COc1cccc(-c2cnc(CNc3ccccc3-n3cccn3)o2)c1 c1cnn(c1)[*:1] COc1cccc(c1)-c1cnc(CNc2ccccc2[*:1])o1
COc1cccc(-c2cnc(CNc3ccccc3-n3cccn3)o2)c1 COc1cccc(c1)[*:1] c1ccc(c(c1)NCc1ncc(o1)[*:1])-n1cccn1
O=S(=O)(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
O=S(=O)(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] O=S(=O)(NC[C@@H](c1ccccc1)[*:1])c1ccccc1
O=S(=O)(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](c1c[nH]c2ccccc12)[*:1])c1ccccc1
CCn1nc(C)cc1CN1CCO[C@H](C(N)=[NH2+])C1 NC(=[NH2+])[*:1] CCn1nc(C)cc1CN1CCO[C@H](C1)[*:1]
CC(C)[C@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)N1CC[NH+](C)CC1 CC(C)[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1]
C[C@@H](OC(=O)C1CC1)C(=O)NCc1ccccc1Cl C1CC1[*:1] C[C@@H](OC(=O)[*:1])C(=O)NCc1ccccc1Cl
C[C@@H](OC(=O)C1CC1)C(=O)NCc1ccccc1Cl O=C(O[*:1])C1CC1 C[C@@H](C(=O)NCc1ccccc1Cl)[*:1]
O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CSc1nc(CC2CCCC2)n[nH]1)N[*:1]
O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1cccc(F)c1 C1CCC(C1)C[*:1] O=C(CSc1nc(n[nH]1)[*:1])Nc1cccc(F)c1
O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1cccc(F)c1 C1CCC(C1)[*:1] O=C(CSc1nc(C[*:1])n[nH]1)Nc1cccc(F)c1
Clc1ccccc1CN1CCC[C@H](c2n[nH]c3nccnc23)C1 Clc1ccccc1[*:1] c1cnc2c(n[nH]c2n1)[C@H]1CCCN(C1)C[*:1]
Cc1nc(-c2ccc(NC(=O)C(=O)N[C@H](C)C(C)C)cc2)cs1 Cc1nc(cs1)[*:1] CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(-c2ccc(NC(=O)C(=O)N[C@H](C)C(C)C)cc2)cs1 CC(C)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
Cc1nc(-c2ccc(NC(=O)C(=O)N[C@H](C)C(C)C)cc2)cs1 CC(C)[C@@H](C)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)C(=O)N[*:1]
Fc1ccc(C[NH2+]CCCn2ccnc2)cc1F c1cn(cn1)C[*:1] Fc1ccc(cc1F)C[NH2+]CC[*:1]
Fc1ccc(C[NH2+]CCCn2ccnc2)cc1F c1cn(cn1)[*:1] Fc1ccc(cc1F)C[NH2+]CCC[*:1]
CN1C(=O)c2cc(C(=O)NCc3ccccc3F)nn2C[C@@]1(C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)N[*:1])C(=O)NCc1ccccc1F
CN1C(=O)c2cc(C(=O)NCc3ccccc3F)nn2C[C@@]1(C)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] CN1C(=O)c2cc(nn2C[C@]1(C)[*:1])C(=O)NCc1ccccc1F
CN1C(=O)c2cc(C(=O)NCc3ccccc3F)nn2C[C@@]1(C)C(=O)NC1CCCCC1 Fc1ccccc1C[*:1] CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)NC1CCCCC1)C(=O)N[*:1]
CN1C(=O)c2cc(C(=O)NCc3ccccc3F)nn2C[C@@]1(C)C(=O)NC1CCCCC1 Fc1ccccc1[*:1] CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)NC1CCCCC1)C(=O)NC[*:1]
O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1cccc(F)c1F)CC2 Fc1cccc(c1F)[*:1] O=c1[nH]c(nc2CCN(CCc21)C[*:1])-c1cccnc1
O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1cccc(F)c1F)CC2 c1cncc(c1)[*:1] O=c1[nH]c(nc2CCN(CCc21)Cc1cccc(F)c1F)[*:1]
O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1cccc(F)c1F)CC2 Fc1cccc(C[*:1])c1F O=c1[nH]c(nc2CCN(CCc21)[*:1])-c1cccnc1
Clc1ccc(N2CC[C@@H](COCc3ccccc3)C2)nc1 Clc1ccc(nc1)[*:1] c1ccc(cc1)COC[C@@H]1CCN(C1)[*:1]
Clc1ccc(N2CC[C@@H](COCc3ccccc3)C2)nc1 c1ccc(cc1)[*:1] Clc1ccc(nc1)N1CC[C@@H](COC[*:1])C1
Clc1ccc(N2CC[C@@H](COCc3ccccc3)C2)nc1 c1ccc(cc1)C[*:1] Clc1ccc(nc1)N1CC[C@@H](CO[*:1])C1
C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](Sc1nc(n[nH]1)-c1ccc(Cl)cc1)C(=O)NC[*:1]
C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)NCc1ccco1 Clc1ccc(cc1)[*:1] C[C@H](Sc1nc(n[nH]1)[*:1])C(=O)NCc1ccco1
C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](Sc1nc(n[nH]1)-c1ccc(Cl)cc1)C(=O)N[*:1]
O=C(CCc1ccc(Cl)cc1)N1CCc2cc(F)ccc2C1 Clc1ccc(cc1)[*:1] O=C(CC[*:1])N1CCc2cc(F)ccc2C1
O=C1CCCC2=C1C(c1ccccn1)C1=C(CCCC1=O)N2 c1ccc(nc1)[*:1] O=C1CCCC2NC3CCCC(=O)C=3C(C=21)[*:1]
CC1(C)O[C@@H]2[C@H](CSC#N)O[C@H](n3ccc(=O)[nH]c3=O)[C@@H]2O1 N#CS[*:1] CC1(C)O[C@@H]2[C@H](C[*:1])O[C@@H]([C@@H]2O1)n1ccc(=O)[nH]c1=O
CC1(C)O[C@@H]2[C@H](CSC#N)O[C@H](n3ccc(=O)[nH]c3=O)[C@@H]2O1 N#CSC[*:1] CC1(C)O[C@H]2[C@@H](O1)[C@H](O[C@@H]2[*:1])n1ccc(=O)[nH]c1=O
CC1(C)NC(=O)N(CCOc2ccccc2C(N)=S)C1=O NC(=S)[*:1] CC1(C)NC(=O)N(CCOc2ccccc2[*:1])C1=O
CNC(=O)Cc1nc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cs1 CNC(=O)[*:1] O=[N+]([O-])c1ccc2CCN(Cc3csc(C[*:1])n3)Cc2c1
CNC(=O)Cc1nc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cs1 O=[N+]([O-])[*:1] CNC(=O)Cc1nc(cs1)CN1CCc2ccc(cc2C1)[*:1]
CNC(=O)Cc1nc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cs1 CNC(=O)C[*:1] O=[N+]([O-])c1ccc2CCN(Cc3csc(n3)[*:1])Cc2c1
O=C(N[C@H](CO)c1ccco1)c1ccn(-c2ccccc2F)n1 c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1ccn(n1)-c1ccccc1F
O=C(N[C@H](CO)c1ccco1)c1ccn(-c2ccccc2F)n1 Fc1ccccc1[*:1] O=C(N[C@H](CO)c1ccco1)c1ccn(n1)[*:1]
Cc1cc(C)n(Cc2cccc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)c2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(Cc2cccc(c2)CNC(=O)c2cc([nH]n2)[*:1])n1
Cc1cc(C)n(Cc2cccc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)c2)n1 Cc1cc(C)n(C[*:1])n1 O=C(NCc1cccc(c1)[*:1])c1cc([nH]n1)-c1ccccc1
Cc1cc(C)n(Cc2cccc(CNC(=O)c3cc(-c4ccccc4)[nH]n3)c2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCc1cccc(c1)C[*:1])c1cc([nH]n1)-c1ccccc1
Cc1cc2cc(CNC(=O)C[C@@H]3C(=O)NCCN3Cc3cccs3)ccc2[nH]1 c1csc(c1)C[*:1] Cc1cc2cc(ccc2[nH]1)CNC(=O)C[C@@H]1C(=O)NCCN1[*:1]
Cc1cc2cc(CNC(=O)C[C@@H]3C(=O)NCCN3Cc3cccs3)ccc2[nH]1 c1csc(c1)[*:1] Cc1cc2cc(ccc2[nH]1)CNC(=O)C[C@@H]1C(=O)NCCN1C[*:1]
CC(=O)N1CCCc2ccc(NC(=O)c3ccccc3Br)cc21 Brc1ccccc1[*:1] CC(=O)N1CCCc2ccc(cc21)NC(=O)[*:1]
CNC(=O)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(F)c2C)cc1 Cc1c(F)cccc1[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)C(=O)N[*:1]
CNC(=O)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(F)c2C)cc1 CNC(=O)[*:1] Cc1c(F)cccc1NC(=O)C(=O)N(C)Cc1ccc(cc1)[*:1]
C[C@@]1(NC(=O)c2csc(COc3ccc(Cl)cc3)n2)CCS(=O)(=O)C1 Clc1ccc(cc1)O[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)c1csc(C[*:1])n1
C[C@@]1(NC(=O)c2csc(COc3ccc(Cl)cc3)n2)CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)c1csc(CO[*:1])n1
CCCSc1nnc2c(n1)O[C@H](c1cc(Br)c(O)c(OC)c1)Nc1ccccc1-2 CCC[*:1] COc1cc(cc(Br)c1O)[C@@H]1Nc2ccccc2-c2nnc(nc2O1)S[*:1]
CCCSc1nnc2c(n1)O[C@H](c1cc(Br)c(O)c(OC)c1)Nc1ccccc1-2 CCCS[*:1] COc1cc(cc(Br)c1O)[C@@H]1Nc2ccccc2-c2nnc(nc2O1)[*:1]
O[C@](C#CC[NH+]1CCCC1)(c1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] O[C@](C#CC[NH+]1CCCC1)(c1cccnc1)[*:1]
O[C@](C#CC[NH+]1CCCC1)(c1ccccc1)c1cccnc1 c1cncc(c1)[*:1] O[C@](C#CC[NH+]1CCCC1)(c1ccccc1)[*:1]
CCO[C@@H]1CCCN(C(=O)N[C@@H]2CCc3c(O)cccc32)C1 CCO[*:1] O=C(N[C@@H]1CCc2c(O)cccc21)N1CCC[C@H](C1)[*:1]
CC(C)[C@H](NC(=O)c1cc(C#N)cs1)c1nc(C2CC2)no1 CC(C)[*:1] N#Cc1csc(c1)C(=O)N[C@H](c1nc(no1)C1CC1)[*:1]
CC(C)[C@H](NC(=O)c1cc(C#N)cs1)c1nc(C2CC2)no1 N#Cc1csc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])c1nc(no1)C1CC1
CC(C)[C@H](NC(=O)c1cc(C#N)cs1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@H](NC(=O)c1cc(C#N)cs1)c1nc(no1)[*:1]
COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccco1 c1coc(c1)[*:1] COc1ccc(cc1S(=O)(=O)NC[*:1])N1C(=O)[C@H](C)CS1(=O)=O
COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccco1 c1coc(c1)C[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])N1C(=O)[C@H](C)CS1(=O)=O
CC(=O)c1ccc(NC(=O)CS(=O)(=O)CC(C)C)cc1C CC(C)[*:1] CC(=O)c1ccc(cc1C)NC(=O)CS(=O)(=O)C[*:1]
CC(=O)c1ccc(NC(=O)CS(=O)(=O)CC(C)C)cc1C CC(C)C[*:1] CC(=O)c1ccc(cc1C)NC(=O)CS(=O)(=O)[*:1]
CC(=O)c1ccc(NC(=O)CS(=O)(=O)CC(C)C)cc1C CC(C)CS(=O)(=O)[*:1] CC(=O)c1ccc(cc1C)NC(=O)C[*:1]
CC(=O)c1ccc(NC(=O)CS(=O)(=O)CC(C)C)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)CS(=O)(=O)CC(C)C
CCOC(=O)c1ccc(S(=O)(=O)N[C@@](C)(C#N)C(C)C)o1 CCOC(=O)[*:1] CC(C)[C@](C)(C#N)NS(=O)(=O)c1ccc(o1)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)N[C@@](C)(C#N)C(C)C)o1 CC(C)[*:1] CCOC(=O)c1ccc(o1)S(=O)(=O)N[C@@](C)(C#N)[*:1]
CC(C)N(C)C(=O)CNC(=O)Cc1cccc2ccccc12 CC(C)[*:1] CN(C(=O)CNC(=O)Cc1cccc2ccccc12)[*:1]
CC(C)N(C)C(=O)CNC(=O)Cc1cccc2ccccc12 CC(C)N(C)C(=O)[*:1] O=C(Cc1cccc2ccccc12)NC[*:1]
C[C@@H]1OCC[C@H]1c1nnc(CC[NH2+]C2CC2)o1 C1CC1[*:1] C[C@@H]1OCC[C@H]1c1nnc(CC[NH2+][*:1])o1
O=c1[nH]c(-c2cnccn2)nc2c1CN(Cc1cccnc1)CC2 c1cnc(cn1)[*:1] O=c1[nH]c(nc2CCN(Cc3cccnc3)Cc21)[*:1]
O=c1[nH]c(-c2cnccn2)nc2c1CN(Cc1cccnc1)CC2 c1cncc(c1)C[*:1] O=c1[nH]c(nc2CCN(Cc21)[*:1])-c1cnccn1
O=c1[nH]c(-c2cnccn2)nc2c1CN(Cc1cccnc1)CC2 c1cncc(c1)[*:1] O=c1[nH]c(nc2CCN(Cc21)C[*:1])-c1cnccn1
CC[C@@H](C)NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)Cc1csc(n1)NC(=O)C=C[*:1]
CC[C@@H](C)NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 CC[C@@H](C)NC(=O)C[*:1] O=C(/C=C/c1ccccc1)Nc1nc(cs1)[*:1]
CC[C@@H](C)NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 CC[C@@H](C)[*:1] O=C(/C=C/c1ccccc1)Nc1nc(cs1)CC(=O)N[*:1]
CC[C@@H](C)NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 C(=C[*:1])c1ccccc1 CC[C@@H](C)NC(=O)Cc1csc(n1)NC(=O)[*:1]
CC[C@@H](C)NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 CC[C@@H](C)NC(=O)[*:1] O=C(/C=C/c1ccccc1)Nc1nc(cs1)C[*:1]
CCN(CCOc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 Clc1ccc(cc1)O[*:1] CCN(CC[*:1])Cc1nc2ccccc2c(=O)[nH]1
CCN(CCOc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 Clc1ccc(cc1)[*:1] CCN(CCO[*:1])Cc1nc2ccccc2c(=O)[nH]1
Cc1nc2ccccc2nc1NCc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] Cc1nc2ccccc2nc1NCc1ccc(cc1)NC(=O)[*:1]
Cc1nc2ccccc2nc1NCc1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 Cc1nc2ccccc2nc1NCc1ccc(cc1)[*:1]
Cc1n[nH]c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 Cc1n[nH]c(n1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(F)cc1Cl
COc1ccc(C(=O)NNC(=O)NCCc2cccs2)cn1 c1csc(c1)C[*:1] COc1ccc(cn1)C(=O)NNC(=O)NC[*:1]
COc1ccc(C(=O)NNC(=O)NCCc2cccs2)cn1 c1csc(c1)[*:1] COc1ccc(cn1)C(=O)NNC(=O)NCC[*:1]
COc1ccc(C(=O)NNC(=O)NCCc2cccs2)cn1 c1csc(c1)CC[*:1] COc1ccc(cn1)C(=O)NNC(=O)N[*:1]
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]([O-])[C@@H]([NH2+][C@@H](C)c3ccccc3)[C@H]3CO[C@@H]2O3)cc1 Cc1ccc(cc1)[*:1] C[C@H]([NH2+][C@H]1[C@H]2CO[C@H](O2)[C@H](OS(=O)(=O)[*:1])[C@H]1[O-])c1ccccc1
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]([O-])[C@@H]([NH2+][C@@H](C)c3ccccc3)[C@H]3CO[C@@H]2O3)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@@H]([O-])[C@@H]([NH2+][C@@H](C)[*:1])[C@H]2CO[C@@H]1O2
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]([O-])[C@@H]([NH2+][C@@H](C)c3ccccc3)[C@H]3CO[C@@H]2O3)cc1 C[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@@H]([O-])[C@@H]([NH2+][*:1])[C@H]2CO[C@@H]1O2
CC(C)Cc1ccc(CNC[C@@H](C)C#N)cc1 C[C@@H](C#N)C[*:1] CC(C)Cc1ccc(cc1)CN[*:1]
CC(C)Cc1ccc(CNC[C@@H](C)C#N)cc1 C[C@@H](C#N)[*:1] CC(C)Cc1ccc(cc1)CNC[*:1]
CC(C)Cc1ccc(CNC[C@@H](C)C#N)cc1 CC(C)[*:1] C[C@@H](C#N)CNCc1ccc(cc1)C[*:1]
CC(C)Cc1ccc(CNC[C@@H](C)C#N)cc1 CC(C)C[*:1] C[C@@H](C#N)CNCc1ccc(cc1)[*:1]
C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nn1cnc2ccccc21 Clc1ccccc1[*:1] C[C@H](NC(=O)[*:1])C(=O)Nn1cnc2ccccc21
O=[N+]([O-])c1cc(C(F)(F)F)cc2c1no[n+]2[O-] O=[N+]([O-])[*:1] [O-][n+]1onc2c(cc(cc21)C(F)(F)F)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)cc2c1no[n+]2[O-] FC(F)(F)[*:1] O=[N+]([O-])c1cc(cc2c1no[n+]2[O-])[*:1]
O=C(CSCc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSCc1csc(n1)NC(=O)c1ccccc1)N[*:1]
O=C(CSCc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(F)cc1 O=C(N[*:1])c1ccccc1 O=C(CSCc1csc(n1)[*:1])Nc1ccc(F)cc1
O=C(CSCc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CSCc1csc(n1)NC(=O)[*:1])Nc1ccc(F)cc1
O=C(Nc1ccccc1Br)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F Fc1ccc(cc1)C[*:1] O=C(Nc1ccccc1Br)c1cc(ccc1F)S(=O)(=O)N[*:1]
O=C(Nc1ccccc1Br)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1Br)c1cc(ccc1F)S(=O)(=O)NC[*:1]
O=C(Nc1ccccc1Br)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F Brc1ccccc1[*:1] O=C(N[*:1])c1cc(ccc1F)S(=O)(=O)NCc1ccc(F)cc1
CN1CCC[C@@]2(CCN(C(=O)c3cccn3C)C2)C1=O Cn1cccc1[*:1] CN1CCC[C@@]2(CCN(C2)C(=O)[*:1])C1=O
CC(=O)NCCc1nc2ccccc2n1CC(=O)N1CCOCC1 CC(=O)N[*:1] O=C(Cn1c(CC[*:1])nc2ccccc21)N1CCOCC1
CC(=O)NCCc1nc2ccccc2n1CC(=O)N1CCOCC1 CC(=O)NCC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCOCC1
CC(=O)NCCc1nc2ccccc2n1CC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(=O)NCCc1nc2ccccc2n1C[*:1]
CC(=O)NCCc1nc2ccccc2n1CC(=O)N1CCOCC1 CC(=O)NC[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)N1CCOCC1
COCc1cc(C(=O)O[C@@H](c2ccccc2)c2nc(C)no2)ccc1F COC[*:1] Cc1noc(n1)[C@@H](OC(=O)c1ccc(F)c(c1)[*:1])c1ccccc1
COCc1cc(C(=O)O[C@@H](c2ccccc2)c2nc(C)no2)ccc1F c1ccc(cc1)[*:1] COCc1cc(ccc1F)C(=O)O[C@@H](c1nc(C)no1)[*:1]
COCc1cc(C(=O)O[C@@H](c2ccccc2)c2nc(C)no2)ccc1F Cc1noc(n1)[*:1] COCc1cc(ccc1F)C(=O)O[C@@H](c1ccccc1)[*:1]
CCOc1cncc(C(=O)NCc2ccc(Br)cc2)c1 CCO[*:1] O=C(NCc1ccc(Br)cc1)c1cncc(c1)[*:1]
CC(C)(C)n1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)cn1 CC(C)(C)[*:1] O=C(Oc1cccc(c1)[N+](=O)[O-])c1cnn(c1)[*:1]
CC(C)(C)n1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)cn1 O=[N+]([O-])[*:1] CC(C)(C)n1cc(cn1)C(=O)Oc1cccc(c1)[*:1]
Cc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H](C)Sc1nnnn1[*:1]
Cc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)N[*:1]
CC(C)(C)OC(=O)N1CC(CC(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 FC(F)(F)C[*:1] CC(C)(C)OC(=O)N1CC(CC(=O)N[C@H]2CCN(C2)[*:1])C1
CC(C)(C)OC(=O)N1CC(CC(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CC(CC(=O)N[C@H]2CCN(C2)C[*:1])C1
CC(C)(C)OC(=O)N1CC(CC(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 CC(C)(C)[*:1] O=C(CC1CN(C1)C(=O)O[*:1])N[C@H]1CCN(C1)CC(F)(F)F
Cc1cc(C(=O)N[C@H](C(=O)[O-])c2c(C)n[nH]c2C)c2ccc(C)c(C)c2n1 Cc1n[nH]c(C)c1[*:1] Cc1cc(C(=O)N[C@H](C(=O)[O-])[*:1])c2ccc(C)c(C)c2n1
Cc1cc(C(=O)N[C@H](C(=O)[O-])c2c(C)n[nH]c2C)c2ccc(C)c(C)c2n1 O=C([O-])[*:1] Cc1cc(C(=O)N[C@H](c2c(C)n[nH]c2C)[*:1])c2ccc(C)c(C)c2n1
O=C(NC[C@H](CCO)c1ccccc1)N1CCc2c(F)ccc(F)c2C1 OCC[*:1] O=C(NC[C@H](c1ccccc1)[*:1])N1CCc2c(F)ccc(F)c2C1
O=C(NC[C@H](CCO)c1ccccc1)N1CCc2c(F)ccc(F)c2C1 c1ccc(cc1)[*:1] O=C(NC[C@H](CCO)[*:1])N1CCc2c(F)ccc(F)c2C1
COC[C@H]([NH2+]Cc1nc(C)sc1C)C1CC1 C1CC1[*:1] COC[C@H]([NH2+]Cc1nc(C)sc1C)[*:1]
COC[C@H]([NH2+]Cc1nc(C)sc1C)C1CC1 COC[*:1] Cc1nc(C[NH2+][C@H](C2CC2)[*:1])c(C)s1
CC(C)n1cnnc1[S@](=O)CC(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)n1cnnc1[S@](=O)CC(=O)Nc1ccc(cc1)[*:1]
CC(C)n1cnnc1[S@](=O)CC(=O)Nc1ccc(C(F)(F)F)cc1 CC(C)[*:1] O=C(C[S@@](=O)c1nncn1[*:1])Nc1ccc(cc1)C(F)(F)F
CSCc1cc(F)ccc1CNC(=O)CCC1CC1 CSC[*:1] O=C(CCC1CC1)NCc1ccc(F)cc1[*:1]
CSCc1cc(F)ccc1CNC(=O)CCC1CC1 C1CC1C[*:1] CSCc1cc(F)ccc1CNC(=O)C[*:1]
CSCc1cc(F)ccc1CNC(=O)CCC1CC1 C1CC1CC[*:1] CSCc1cc(F)ccc1CNC(=O)[*:1]
CSCc1cc(F)ccc1CNC(=O)CCC1CC1 C1CC1[*:1] CSCc1cc(F)ccc1CNC(=O)CC[*:1]
O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(c1ccc2OCCOc2c1)N1CCC[C@H]1[*:1]
CCC[NH2+]CCN1CCN(C(=O)OCC)CC1 CCC[*:1] CCOC(=O)N1CCN(CC[NH2+][*:1])CC1
CC(C)[C@@H](CO)NC(=O)NCc1ccccc1OC(C)(C)C CC(C)(C)[*:1] CC(C)[C@@H](CO)NC(=O)NCc1ccccc1O[*:1]
CC(C)[C@@H](CO)NC(=O)NCc1ccccc1OC(C)(C)C CC(C)[*:1] CC(C)(C)Oc1ccccc1CNC(=O)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)NCc1ccccc1OC(C)(C)C CC(C)[C@@H](CO)[*:1] CC(C)(C)Oc1ccccc1CNC(=O)N[*:1]
CC(C)[C@@H](CO)NC(=O)NCc1ccccc1OC(C)(C)C CC(C)(C)O[*:1] CC(C)[C@@H](CO)NC(=O)NCc1ccccc1[*:1]
O=C(Cc1cccc2ccccc12)NOCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Cc1cccc2ccccc12)NOCc1ccc(cc1)[*:1]
Cc1ccc(F)cc1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C Cc1ccc(F)cc1[*:1] CC(C)[C@@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
Cc1ccc(F)cc1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C CC(C)[*:1] Cc1ccc(F)cc1C(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
O=C(NCc1ccccc1)c1cc(N(CCO)C2CC2)cc[nH+]1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1cc(cc[nH+]1)N(CCO)C1CC1
O=C(NCc1ccccc1)c1cc(N(CCO)C2CC2)cc[nH+]1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1cc(cc[nH+]1)N(CCO)C1CC1
O=C(NCc1ccccc1)c1cc(N(CCO)C2CC2)cc[nH+]1 C1CC1[*:1] O=C(NCc1ccccc1)c1cc(cc[nH+]1)N(CCO)[*:1]
O=C(NCc1ccccc1)c1cc(N(CCO)C2CC2)cc[nH+]1 OCC[*:1] O=C(NCc1ccccc1)c1cc(cc[nH+]1)N(C1CC1)[*:1]
O=C(NCc1ccccc1)c1cc(N(CCO)C2CC2)cc[nH+]1 OCCN(C1CC1)[*:1] O=C(NCc1ccccc1)c1cc(cc[nH+]1)[*:1]
N#C[C@H]1CCCC[C@H]1OC(=O)CCCNC(=O)C1CC1 O=C(N[*:1])C1CC1 N#C[C@H]1CCCC[C@H]1OC(=O)CCC[*:1]
N#C[C@H]1CCCC[C@H]1OC(=O)CCCNC(=O)C1CC1 C1CC1[*:1] N#C[C@H]1CCCC[C@H]1OC(=O)CCCNC(=O)[*:1]
Nc1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2[n+]1CCCN1CCOCC1 c1coc(c1)[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1CCCN1CCOCC1)C(=O)NC[*:1]
Nc1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2[n+]1CCCN1CCOCC1 O=C(NCc1ccco1)[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1CCCN1CCOCC1)[*:1]
Nc1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2[n+]1CCCN1CCOCC1 C1CN(CCO1)CC[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1C[*:1])C(=O)NCc1ccco1
Nc1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2[n+]1CCCN1CCOCC1 c1coc(c1)C[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1CCCN1CCOCC1)C(=O)N[*:1]
Nc1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2[n+]1CCCN1CCOCC1 C1CN(CCO1)[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1CCC[*:1])C(=O)NCc1ccco1
Nc1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2[n+]1CCCN1CCOCC1 C(CN1CCOCC1)C[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1[*:1])C(=O)NCc1ccco1
Nc1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2[n+]1CCCN1CCOCC1 C1CN(CCO1)C[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1CC[*:1])C(=O)NCc1ccco1
CC(C)CC(C)(C)CNC(=O)N(C)[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] CC(C)CC(C)(C)CNC(=O)N(C)[C@H](C)[*:1]
CC(C)CC(C)(C)CNC(=O)N(C)[C@H](C)c1ccncc1 CC(C)CC(C)(C)[*:1] C[C@H](c1ccncc1)N(C)C(=O)NC[*:1]
CC(C)CC(C)(C)CNC(=O)N(C)[C@H](C)c1ccncc1 CC(C)[*:1] C[C@H](c1ccncc1)N(C)C(=O)NCC(C)(C)C[*:1]
CC(C)CC(C)(C)CNC(=O)N(C)[C@H](C)c1ccncc1 CC(C)C[*:1] C[C@H](c1ccncc1)N(C)C(=O)NCC(C)(C)[*:1]
COc1cc(CC(=O)N(C)[C@H](C)c2ccccc2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)CC(=O)N(C)[C@H](C)[*:1]
COc1cc(CC(=O)N(C)[C@H](C)c2ccccc2)cc(OC)c1OC C[C@H](c1ccccc1)[*:1] COc1cc(cc(OC)c1OC)CC(=O)N(C)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Cn1cnnn1 c1nnnn1[*:1] CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Cn1cnnn1 CC[C@@H](C)[*:1] C[C@H](NC(=O)Cn1cnnn1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Cn1cnnn1 c1nnnn1C[*:1] CC[C@@H](C)NC(=O)[C@H](C)NC(=O)[*:1]
Cc1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1Cl O=S1(=O)CC[C@H](C1)[*:1] Cc1ccc(cc1Cl)NC(=O)N(CCO)[*:1]
Cc1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1Cl OCC[*:1] Cc1ccc(cc1Cl)NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(Nc1ccccc1)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)C2CCCC2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)[C@H]1C[C@@H](CN(C1)C(=O)C1CCCC1)[*:1]
O=C(Nc1ccccc1)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)C2CCCC2)C1 O=C(Nc1ccccc1)[*:1] O=C(C1CCCC1)N1C[C@@H](C[C@@H](C1)[*:1])c1ccccc1
O=C(Nc1ccccc1)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)C2CCCC2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1C[C@H](CN(C1)C(=O)C1CCCC1)c1ccccc1
O=C(Nc1ccccc1)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)C2CCCC2)C1 C1CCC(C1)[*:1] O=C(Nc1ccccc1)[C@H]1C[C@H](CN(C1)C(=O)[*:1])c1ccccc1
O=C(NCc1ccccc1)c1cc(C2CC2)n[nH]1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1cc(n[nH]1)C1CC1
O=C(NCc1ccccc1)c1cc(C2CC2)n[nH]1 C1CC1[*:1] O=C(NCc1ccccc1)c1cc(n[nH]1)[*:1]
Cc1cccc2c(CC(=O)Nc3ncccc3OCCCC#N)c[nH]c12 N#CC[*:1] Cc1cccc2c(c[nH]c12)CC(=O)Nc1ncccc1OCC[*:1]
Cc1cccc2c(CC(=O)Nc3ncccc3OCCCC#N)c[nH]c12 N#CCCC[*:1] Cc1cccc2c(c[nH]c12)CC(=O)Nc1ncccc1O[*:1]
Cc1cccc2c(CC(=O)Nc3ncccc3OCCCC#N)c[nH]c12 N#CCCCO[*:1] Cc1cccc2c(c[nH]c12)CC(=O)Nc1ncccc1[*:1]
Cc1cccc2c(CC(=O)Nc3ncccc3OCCCC#N)c[nH]c12 N#CCC[*:1] Cc1cccc2c(c[nH]c12)CC(=O)Nc1ncccc1OC[*:1]
CCc1nc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cs1 CCc1nc(cs1)C[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@@H](C1)[NH2+][*:1]
CCc1nc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cs1 CCc1nc(cs1)[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@@H](C1)[NH2+]C[*:1]
Cc1ccc(Cl)cc1N1CCN([C@@H](c2ccccc2F)c2nnnn2Cc2ccco2)CC1 Cc1ccc(Cl)cc1[*:1] Fc1ccccc1[C@@H](c1nnnn1Cc1ccco1)N1CCN(CC1)[*:1]
Cc1ccc(Cl)cc1N1CCN([C@@H](c2ccccc2F)c2nnnn2Cc2ccco2)CC1 c1coc(c1)[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)[C@@H](c1ccccc1F)c1nnnn1C[*:1]
Cc1ccc(Cl)cc1N1CCN([C@@H](c2ccccc2F)c2nnnn2Cc2ccco2)CC1 c1coc(c1)C[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)[C@@H](c1ccccc1F)c1nnnn1[*:1]
Cc1ccc(Cl)cc1N1CCN([C@@H](c2ccccc2F)c2nnnn2Cc2ccco2)CC1 c1coc(c1)Cn1nnnc1[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)[C@@H](c1ccccc1F)[*:1]
Cc1ccc(Cl)cc1N1CCN([C@@H](c2ccccc2F)c2nnnn2Cc2ccco2)CC1 Fc1ccccc1[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)[C@@H](c1nnnn1Cc1ccco1)[*:1]
C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1cccc(C#N)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1cccc(C#N)c1)[*:1]
C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1cccc(C#N)c1)c1ccc(F)cc1 N#Cc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)C(C)(C)[*:1])c1ccc(F)cc1
O=C1CNC(=O)N1CCCn1nnc(-c2ccc(Br)cc2)n1 O=C1CNC(=O)N1[*:1] Brc1ccc(cc1)-c1nnn(CCC[*:1])n1
O=C1CNC(=O)N1CCCn1nnc(-c2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] O=C1CNC(=O)N1CCCn1nnc(n1)[*:1]
C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)C1=O Fc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccc3[nH]c(nc3c2)-c2ccco2)C1=O)[*:1]
C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)C1=O c1coc(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccc3[nH]c(nc3c2)[*:1])C1=O)c1ccc(F)cc1
CCCNC(=O)c1cccc(C(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)c1 CCC[*:1] CC(C)[C@@H](NC(=O)c1cccc(c1)C(=O)N[*:1])c1nnc2CCCn21
CCCNC(=O)c1cccc(C(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)c1 CCCNC(=O)[*:1] CC(C)[C@@H](NC(=O)c1cccc(c1)[*:1])c1nnc2CCCn21
CCCNC(=O)c1cccc(C(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)c1 CC(C)[*:1] CCCNC(=O)c1cccc(c1)C(=O)N[C@@H](c1nnc2CCCn21)[*:1]
CCCNC(=O)c1cccc(C(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)c1 C1Cc2nnc(n2C1)[*:1] CCCNC(=O)c1cccc(c1)C(=O)N[C@@H](C(C)C)[*:1]
COc1cccc(CN(C)C(=O)c2cnn(-c3ccccc3C)c2C2CC2)c1OC COc1cccc(c1OC)[*:1] Cc1ccccc1-n1ncc(C(=O)N(C)C[*:1])c1C1CC1
COc1cccc(CN(C)C(=O)c2cnn(-c3ccccc3C)c2C2CC2)c1OC C1CC1[*:1] COc1cccc(CN(C)C(=O)c2cnn(-c3ccccc3C)c2[*:1])c1OC
COc1cccc(CN(C)C(=O)c2cnn(-c3ccccc3C)c2C2CC2)c1OC Cc1ccccc1[*:1] COc1cccc(CN(C)C(=O)c2cnn(c2C2CC2)[*:1])c1OC
CCC(=O)NCCc1nc2ccccc2n1CC(=O)N1CCCCCC1 CCC(=O)N[*:1] O=C(Cn1c(CC[*:1])nc2ccccc21)N1CCCCCC1
CCC(=O)NCCc1nc2ccccc2n1CC(=O)N1CCCCCC1 CCC(=O)NCC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCCCCC1
CCC(=O)NCCc1nc2ccccc2n1CC(=O)N1CCCCCC1 CCC(=O)NC[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)N1CCCCCC1
C[C@H](OC(=O)c1ccc(-n2cnc3ccccc32)nc1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](OC(=O)c1ccc(nc1)-n1cnc2ccccc21)[*:1]
COc1c(C)c[nH+]c(C[S@](=O)c2nc3cc(OCc4ccccc4)ccc3[nH]2)c1C c1ccc(cc1)CO[*:1] COc1c(C)c[nH+]c(C[S@](=O)c2nc3cc(ccc3[nH]2)[*:1])c1C
COc1c(C)c[nH+]c(C[S@](=O)c2nc3cc(OCc4ccccc4)ccc3[nH]2)c1C c1ccc(cc1)[*:1] COc1c(C)c[nH+]c(C[S@](=O)c2nc3cc(ccc3[nH]2)OC[*:1])c1C
COc1c(C)c[nH+]c(C[S@](=O)c2nc3cc(OCc4ccccc4)ccc3[nH]2)c1C c1ccc(cc1)C[*:1] COc1c(C)c[nH+]c(C[S@](=O)c2nc3cc(ccc3[nH]2)O[*:1])c1C
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cnn(-c2ncccn2)c1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1C(=O)Nc1cnn(c1)-c1ncccn1)[*:1]
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] C[C@H]1C[C@H](CN1C(=O)Nc1cnn(c1)[*:1])c1ccc(F)cc1
COc1cccc([C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@@H](NS(=O)(=O)c1cc(ccc1Cl)C(F)(F)F)[*:1]
COc1cccc([C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c2nccn2C)c1 COc1cccc(c1)[*:1] Cn1ccnc1[C@H](NS(=O)(=O)c1cc(ccc1Cl)C(F)(F)F)[*:1]
COc1cccc([C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c2nccn2C)c1 FC(F)(F)[*:1] COc1cccc(c1)[C@@H](NS(=O)(=O)c1cc(ccc1Cl)[*:1])c1nccn1C
COc1cccc(-n2c(=O)c3ccccc3n(CC(=O)N3CCOCC3)c2=O)c1 O=C(C[*:1])N1CCOCC1 COc1cccc(c1)-n1c(=O)c2ccccc2n(c1=O)[*:1]
COc1cccc(-n2c(=O)c3ccccc3n(CC(=O)N3CCOCC3)c2=O)c1 COc1cccc(c1)[*:1] O=C(Cn1c(=O)n(c(=O)c2ccccc21)[*:1])N1CCOCC1
COc1cccc(-n2c(=O)c3ccccc3n(CC(=O)N3CCOCC3)c2=O)c1 O=C(N1CCOCC1)[*:1] COc1cccc(c1)-n1c(=O)c2ccccc2n(C[*:1])c1=O
O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(Br)nc1 O=[N+]([O-])[*:1] O=C(NCc1ccccc1[*:1])c1ccc(Br)nc1
CC[C@H]1COCCN1C(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] CC[C@H]1COCCN1C(=O)c1ccc(cc1)[*:1]
COc1ccc(NC2=C(Cl)C(=O)O[C@@H]2OC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)NC1=C(Cl)C(=O)O[C@@H]1O[*:1]
COc1ccc(NC2=C(Cl)C(=O)O[C@@H]2OC(C)C)cc1 CC(C)O[*:1] COc1ccc(cc1)NC1=C(Cl)C(=O)O[C@H]1[*:1]
NC(=O)CCn1nc(-c2ccc(F)cc2)c2ccccc2c1=O NC(=O)CC[*:1] O=c1c2ccccc2c(nn1[*:1])-c1ccc(F)cc1
NC(=O)CCn1nc(-c2ccc(F)cc2)c2ccccc2c1=O NC(=O)C[*:1] O=c1c2ccccc2c(nn1C[*:1])-c1ccc(F)cc1
NC(=O)CCn1nc(-c2ccc(F)cc2)c2ccccc2c1=O NC(=O)[*:1] O=c1c2ccccc2c(nn1CC[*:1])-c1ccc(F)cc1
NC(=O)CCn1nc(-c2ccc(F)cc2)c2ccccc2c1=O Fc1ccc(cc1)[*:1] NC(=O)CCn1nc(c2ccccc2c1=O)[*:1]
CC[C@@H](C)[C@@H](NC(=O)[C@H](C)[NH3+])C(=O)[O-] CC[C@@H](C)[*:1] C[C@H]([NH3+])C(=O)N[C@@H](C(=O)[O-])[*:1]
CC[C@@H](C)[C@@H](NC(=O)[C@H](C)[NH3+])C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@@H](NC(=O)[C@H](C)[NH3+])[*:1]
CC[C@@H](C)[C@@H](NC(=O)[C@H](C)[NH3+])C(=O)[O-] C[C@H]([NH3+])[*:1] CC[C@@H](C)[C@@H](NC(=O)[*:1])C(=O)[O-]
COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc2c(c1)OCO2 COC(=O)[*:1] O=S(=O)(Nc1ccc2OCOc2c1)c1c(sc2ccccc12)[*:1]
Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=[NH+][C@@H]2c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)n2c(n1)NC(=[NH+][C@H]2[*:1])N1CCN(CC1)c1ccccc1
Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=[NH+][C@@H]2c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)n2c(n1)NC(=[NH+][C@@H]2c1ccccc1)N1CCN(CC1)[*:1]
COc1ccc(F)c(NC(=O)CSc2nnnn2C2CC2)c1 C1CC1[*:1] COc1ccc(F)c(c1)NC(=O)CSc1nnnn1[*:1]
O=[N+]([O-])C12CC3CC(CC(C3)C1)C2 O=[N+]([O-])[*:1] C1C2CC3CC1CC(C2)(C3)[*:1]
CC[C@H](C)N(C)C(=O)N[C@H](C)c1cccc(C#N)c1 CC[C@H](C)[*:1] C[C@@H](NC(=O)N(C)[*:1])c1cccc(C#N)c1
COC[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)C(C)C CC(C)[*:1] COC[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)[*:1]
COC[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)C(C)C COC[*:1] CC(C)[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(N)cc2)sc(C(=O)Nc2cccc(Cl)c2C)c1C CCOC(=O)[*:1] Cc1c(Cl)cccc1NC(=O)c1sc(NC(=O)c2ccc(N)cc2)c(c1C)[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(N)cc2)sc(C(=O)Nc2cccc(Cl)c2C)c1C Cc1c(Cl)cccc1[*:1] CCOC(=O)c1c(NC(=O)c2ccc(N)cc2)sc(C(=O)N[*:1])c1C
CCOC(=O)c1c(NC(=O)c2ccc(N)cc2)sc(C(=O)Nc2cccc(Cl)c2C)c1C Nc1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc(C(=O)Nc2cccc(Cl)c2C)c1C
CCOC(=O)c1c(NC(=O)c2ccc(N)cc2)sc(C(=O)Nc2cccc(Cl)c2C)c1C Nc1ccc(cc1)C(=O)N[*:1] CCOC(=O)c1c(sc(C(=O)Nc2cccc(Cl)c2C)c1C)[*:1]
Cc1cccc(CN(Cc2ccccn2)C(=O)c2cc(C#N)cs2)c1 Cc1cccc(c1)[*:1] N#Cc1csc(c1)C(=O)N(Cc1ccccn1)C[*:1]
Cc1cccc(CN(Cc2ccccn2)C(=O)c2cc(C#N)cs2)c1 Cc1cccc(c1)C[*:1] N#Cc1csc(c1)C(=O)N(Cc1ccccn1)[*:1]
Cc1cccc(CN(Cc2ccccn2)C(=O)c2cc(C#N)cs2)c1 N#Cc1csc(c1)[*:1] Cc1cccc(c1)CN(Cc1ccccn1)C(=O)[*:1]
Cc1cccc(CN(Cc2ccccn2)C(=O)c2cc(C#N)cs2)c1 c1ccc(C[*:1])nc1 Cc1cccc(c1)CN(C(=O)c1cc(C#N)cs1)[*:1]
Cc1cccc(CN(Cc2ccccn2)C(=O)c2cc(C#N)cs2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)CN(C[*:1])C(=O)c1cc(C#N)cs1
NS(=O)(=O)c1ccc(NC(=S)NNC(=O)c2ccc(-n3cccc3)cc2)cc1 NS(=O)(=O)[*:1] O=C(NNC(=S)Nc1ccc(cc1)[*:1])c1ccc(cc1)-n1cccc1
NS(=O)(=O)c1ccc(NC(=S)NNC(=O)c2ccc(-n3cccc3)cc2)cc1 c1ccn(c1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=S)NNC(=O)c1ccc(cc1)[*:1]
CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)CC1 Cn1cc(cn1)[*:1] CC[NH+]1CCN(CC1)c1ccccc1C[NH2+][C@@H]1CCCN(C1)[*:1]
COc1ccc(NC(=O)CSCC(C)C)cc1 CC(C)CS[*:1] COc1ccc(cc1)NC(=O)C[*:1]
COc1ccc(NC(=O)CSCC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)NC(=O)CS[*:1]
COc1ccc(NC(=O)CSCC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)CSC[*:1]
Cc1csc(SCc2c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)oc3ccccc23)n1 Cc1csc(n1)S[*:1] CN(C(=O)c1oc2ccccc2c1C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1csc(SCc2c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)oc3ccccc23)n1 Cc1csc(n1)SC[*:1] CN(C(=O)c1oc2ccccc2c1[*:1])[C@H]1CCS(=O)(=O)C1
Cc1csc(SCc2c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)oc3ccccc23)n1 Cc1csc(n1)[*:1] CN(C(=O)c1oc2ccccc2c1CS[*:1])[C@H]1CCS(=O)(=O)C1
CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O FC(F)O[*:1] CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O
CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O FC(F)[*:1] CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(cc2)O[*:1])C1=O
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4O)cc3n2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1cc(n2nc(cc2n1)C(=O)Nc1cc(C)ccc1O)[*:1]
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4O)cc3n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(O)c(c1)NC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4O)cc3n2)cc1 Cc1ccc(O)c(c1)[*:1] COc1ccc(cc1)-c1cc(n2nc(cc2n1)C(=O)N[*:1])C(F)(F)F
Cc1c(C(=O)NNC(=O)N[C@H](C)CCc2ccc(O)cc2)oc2ccccc12 Oc1ccc(cc1)C[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)N[C@H](C)C[*:1]
Cc1c(C(=O)NNC(=O)N[C@H](C)CCc2ccc(O)cc2)oc2ccccc12 Oc1ccc(cc1)CC[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)N[C@H](C)[*:1]
Cc1c(C(=O)NNC(=O)N[C@H](C)CCc2ccc(O)cc2)oc2ccccc12 Oc1ccc(cc1)[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)N[C@H](C)CC[*:1]
COc1ccccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C CC(C)[*:1] COc1ccccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)[*:1]
COc1ccccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C COc1ccccc1[*:1] CC(C)[C@H]([NH2+]CC(=O)N[*:1])c1ccc(Cl)cc1
COc1ccccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C Clc1ccc(cc1)[*:1] COc1ccccc1NC(=O)C[NH2+][C@H](C(C)C)[*:1]
COc1ccc(-c2nc(Cn3nnc(-c4nc(-c5ccc(SC)cc5)no4)c3C)c(C)o2)cc1 COc1ccc(cc1)[*:1] CSc1ccc(cc1)-c1noc(n1)-c1nnn(Cc2nc(oc2C)[*:1])c1C
COc1ccc(-c2nc(Cn3nnc(-c4nc(-c5ccc(SC)cc5)no4)c3C)c(C)o2)cc1 CSc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(Cn2nnc(-c3nc(no3)[*:1])c2C)c(C)o1
Cc1ccc(CNC(=O)C2CCN(C(=O)c3cnoc3C)CC2)cc1 Cc1oncc1[*:1] Cc1ccc(cc1)CNC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(CNC(=O)C2CCN(C(=O)c3cnoc3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1oncc1C(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)C2CCN(C(=O)c3cnoc3C)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1oncc1C(=O)N1CCC(CC1)C(=O)N[*:1]
O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 Fc1ccc(cc1Cl)C[*:1] O=C(N[*:1])[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12
O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 Fc1ccc(cc1Cl)[*:1] O=C(NC[*:1])[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12
O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CSCN1C(=O)[*:1]
CCCCOC/C([O-])=N/c1nc(C)nn1-c1ccc(C#N)cc1 CCCCO[*:1] Cc1nc(/N=C(\[O-])C[*:1])n(n1)-c1ccc(C#N)cc1
CCCCOC/C([O-])=N/c1nc(C)nn1-c1ccc(C#N)cc1 CCCC[*:1] Cc1nc(/N=C(\[O-])CO[*:1])n(n1)-c1ccc(C#N)cc1
CCCCOC/C([O-])=N/c1nc(C)nn1-c1ccc(C#N)cc1 CCCCOC[*:1] Cc1nc(/N=C(\[O-])[*:1])n(n1)-c1ccc(C#N)cc1
CCCCOC/C([O-])=N/c1nc(C)nn1-c1ccc(C#N)cc1 CCC[*:1] Cc1nc(/N=C(\[O-])COC[*:1])n(n1)-c1ccc(C#N)cc1
CC(C)C(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 CC(C)C(=O)N(C)[*:1] c1ccc2OC3(CCC(CC3)[*:1])C[NH2+]Cc2c1
CC(C)C(=O)N(C)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 CC(C)[*:1] CN(C(=O)[*:1])C1CCC2(CC1)C[NH2+]Cc1ccccc1O2
O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N(Cc1ccco1)Cc1ccco1 c1coc(c1)C[*:1] O=C1c2ccc(cc2C(=O)N1C1CCCCC1)C(=O)N(Cc1ccco1)[*:1]
O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N(Cc1ccco1)Cc1ccco1 C1CCC(CC1)[*:1] O=C(c1ccc2C(=O)N(C(=O)c2c1)[*:1])N(Cc1ccco1)Cc1ccco1
O=C(c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N(Cc1ccco1)Cc1ccco1 c1coc(c1)[*:1] O=C(c1ccc2C(=O)N(C(=O)c2c1)C1CCCCC1)N(Cc1ccco1)C[*:1]
CC(=O)N[C@H](C(=O)NC[C@H](C)c1cccc(C)c1)C1CCCC1 Cc1cccc(c1)[*:1] CC(=O)N[C@H](C(=O)NC[C@H](C)[*:1])C1CCCC1
CC(=O)N[C@H](C(=O)NC[C@H](C)c1cccc(C)c1)C1CCCC1 CC(=O)N[*:1] Cc1cccc(c1)[C@@H](C)CNC(=O)[C@H](C1CCCC1)[*:1]
CC(=O)N[C@H](C(=O)NC[C@H](C)c1cccc(C)c1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@H](C(=O)NC[C@H](C)c1cccc(C)c1)[*:1]
Cc1ccc(NCC(=O)NNC(=O)c2cccnc2SC(F)F)c(C)c1 FC(F)S[*:1] Cc1ccc(NCC(=O)NNC(=O)c2cccnc2[*:1])c(C)c1
Cc1ccc(NCC(=O)NNC(=O)c2cccnc2SC(F)F)c(C)c1 FC(F)[*:1] Cc1ccc(NCC(=O)NNC(=O)c2cccnc2S[*:1])c(C)c1
Cc1ccc(NCC(=O)NNC(=O)c2cccnc2SC(F)F)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CN[*:1])NNC(=O)c1cccnc1SC(F)F
C[C@@H](Sc1nc(-c2ccco2)cc(C(F)(F)F)n1)C(=O)N1CCCC[C@H]1C c1coc(c1)[*:1] C[C@@H](Sc1nc(cc(n1)[*:1])C(F)(F)F)C(=O)N1CCCC[C@H]1C
C[C@@H](Sc1nc(-c2ccco2)cc(C(F)(F)F)n1)C(=O)N1CCCC[C@H]1C FC(F)(F)[*:1] C[C@@H](Sc1nc(cc(n1)[*:1])-c1ccco1)C(=O)N1CCCC[C@H]1C
C[C@@H](Sc1nc(-c2ccco2)cc(C(F)(F)F)n1)C(=O)N1CCCC[C@H]1C C[C@@H]1CCCCN1C(=O)[*:1] C[C@@H](Sc1nc(cc(n1)C(F)(F)F)-c1ccco1)[*:1]
Nn1c(SCc2ccc(Cl)s2)nnc1-c1cccs1 c1csc(c1)[*:1] Nn1c(nnc1[*:1])SCc1ccc(Cl)s1
Nn1c(SCc2ccc(Cl)s2)nnc1-c1cccs1 Clc1ccc(s1)[*:1] Nn1c(nnc1-c1cccs1)SC[*:1]
O=C1NCCN(Cc2cccc(F)c2)[C@@H]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 Fc1cccc(c1)C[*:1] O=C1NCCN([C@@H]1CC(=O)N1CCN(CC1)C(=O)c1cccs1)[*:1]
O=C1NCCN(Cc2cccc(F)c2)[C@@H]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C1NCCN(Cc2cccc(F)c2)[C@@H]1CC(=O)N1CCN(CC1)C(=O)[*:1]
O=C1NCCN(Cc2cccc(F)c2)[C@@H]1CC(=O)N1CCN(C(=O)c2cccs2)CC1 Fc1cccc(c1)[*:1] O=C1NCCN(C[*:1])[C@@H]1CC(=O)N1CCN(CC1)C(=O)c1cccs1
C[C@H](NC(=O)COc1ccc(C2SCCS2)cc1)c1ccco1 C1CSC(S1)[*:1] C[C@H](NC(=O)COc1ccc(cc1)[*:1])c1ccco1
C[C@H](NC(=O)COc1ccc(C2SCCS2)cc1)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)COc1ccc(cc1)C1SCCS1)[*:1]
C[C@H](NC(=O)COc1ccc(C2SCCS2)cc1)c1ccco1 C[C@H](c1ccco1)[*:1] O=C(COc1ccc(cc1)C1SCCS1)N[*:1]
C=CCN(C(=O)C[NH+](C)C1CCS(=O)(=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)C[NH+](C)C1CCS(=O)(=O)CC1)[*:1]
C=CCN(C(=O)C[NH+](C)C1CCS(=O)(=O)CC1)c1ccccc1 C=CC[*:1] C[NH+](CC(=O)N(c1ccccc1)[*:1])C1CCS(=O)(=O)CC1
O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 O=C1CCCN1CC[*:1] O=C(c1cccc(c1)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)C[*:1]
O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 O=C1CCCN1CCC[*:1] O=C(c1cccc(c1)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 O=C1CCCN1[*:1] O=C(c1cccc(c1)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)CCC[*:1]
O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 FC(F)(F)[*:1] O=C(c1cccc(c1)[*:1])[C@@H]1CCCN(C1)C(=O)CCCN1CCCC1=O
O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 O=C1CCCN1C[*:1] O=C(c1cccc(c1)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)CC[*:1]
COc1ccc([C@H](CNC(=O)c2ccc(-c3nnn[n-]3)cc2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(cc1)-c1nnn[n-]1)[*:1]
Cc1cc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3)nc3ccsc3c2=O)ccc1F Fc1ccc(cc1F)[*:1] Cc1cc(ccc1F)-n1c(nc2ccsc2c1=O)SCC(=O)N[*:1]
Cc1cc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3)nc3ccsc3c2=O)ccc1F Cc1cc(ccc1F)[*:1] O=C(CSc1nc2ccsc2c(=O)n1[*:1])Nc1ccc(F)c(F)c1
C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1occc1Br C1CC(C1)O[*:1] C[C@H]([NH2+]Cc1ccccc1[*:1])c1occc1Br
C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1occc1Br C1CC(C1)[*:1] C[C@H]([NH2+]Cc1ccccc1O[*:1])c1occc1Br
C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1occc1Br Brc1ccoc1[*:1] C[C@H]([NH2+]Cc1ccccc1OC1CCC1)[*:1]
CC[C@H]1COCCN1C(=O)c1csc(C#CCO)c1 OCC#C[*:1] CC[C@H]1COCCN1C(=O)c1csc(c1)[*:1]
CN(CCOCC1CC1)C(=O)c1ccc(Cl)c(N)c1 C1CC1[*:1] CN(CCOC[*:1])C(=O)c1ccc(Cl)c(N)c1
CN(CCOCC1CC1)C(=O)c1ccc(Cl)c(N)c1 C1CC1CO[*:1] CN(CC[*:1])C(=O)c1ccc(Cl)c(N)c1
CN(CCOCC1CC1)C(=O)c1ccc(Cl)c(N)c1 C1CC1C[*:1] CN(CCO[*:1])C(=O)c1ccc(Cl)c(N)c1
CN(CCOCC1CC1)C(=O)c1ccc(Cl)c(N)c1 C1CC1COC[*:1] CN(C[*:1])C(=O)c1ccc(Cl)c(N)c1
CC[C@H](C)NC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2 CC[C@H](C)[*:1] COC(=O)c1c(NC(=O)C(=O)N[*:1])sc2CCCCCc21
CC[C@H](C)NC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2 COC(=O)[*:1] CC[C@H](C)NC(=O)C(=O)Nc1sc2CCCCCc2c1[*:1]
COc1ccccc1C(=O)NNc1ncnc(Sc2cccc3cccnc23)c1N COc1ccccc1[*:1] Nc1c(ncnc1Sc1cccc2cccnc12)NNC(=O)[*:1]
COc1ccccc1C(=O)NNc1ncnc(Sc2cccc3cccnc23)c1N c1cnc2c(cccc2c1)[*:1] COc1ccccc1C(=O)NNc1ncnc(S[*:1])c1N
COc1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1C Clc1ccc(cc1)[*:1] COc1ccc(cc1C)CC(=O)Nc1nc(cs1)[*:1]
O=C([O-])[C@@H](F)Sc1ccccc1O O=C([O-])[*:1] Oc1ccccc1S[C@H](F)[*:1]
CCC[C@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)C(=O)OC CCC[C@H](C(=O)OC)[*:1] O=C(Cn1cnc2c(oc3ccccc32)c1=O)N[*:1]
CCC[C@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)[*:1]
CCC[C@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)[*:1]
CCn1nc(C)c(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c1C FC(F)(F)[*:1] CCn1nc(C)c(Nc2cc(nc(n2)-c2cccnc2)[*:1])c1C
CCn1nc(C)c(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c1C c1cncc(c1)[*:1] CCn1nc(C)c(Nc2cc(nc(n2)[*:1])C(F)(F)F)c1C
CCOc1c(-c2ccccc2)c(=O)n2c3ccccc3n(CC)c2c1C#N c1ccc(cc1)[*:1] CCOc1c(c(=O)n2c3ccccc3n(CC)c2c1C#N)[*:1]
CCOc1c(-c2ccccc2)c(=O)n2c3ccccc3n(CC)c2c1C#N CCO[*:1] CCn1c2ccccc2n2c(=O)c(-c3ccccc3)c(c(C#N)c12)[*:1]
O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccc(F)cc1 O=C(N1CCCCC1)[*:1] O=C(Nc1nnc(SC[*:1])s1)c1ccc(F)cc1
O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)N1CCCCC1
CC[NH+](C)CC(=O)NCc1ccccc1Cn1cccn1 c1cnn(c1)[*:1] CC[NH+](C)CC(=O)NCc1ccccc1C[*:1]
CC[NH+](C)CC(=O)NCc1ccccc1Cn1cccn1 c1cnn(c1)C[*:1] CC[NH+](C)CC(=O)NCc1ccccc1[*:1]
CCC(=O)c1ccn(CCC(F)(F)F)c1 CCC(=O)[*:1] FC(F)(F)CCn1ccc(c1)[*:1]
CCC(=O)c1ccn(CCC(F)(F)F)c1 FC(F)(F)C[*:1] CCC(=O)c1ccn(c1)C[*:1]
CCC(=O)c1ccn(CCC(F)(F)F)c1 FC(F)(F)[*:1] CCC(=O)c1ccn(c1)CC[*:1]
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CSc2cccs2)C1 c1csc(c1)S[*:1] CO[C@@H]1C[C@@H](C(=O)[O-])N(C1)C(=O)C[*:1]
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CSc2cccs2)C1 O=C([O-])[*:1] CO[C@@H]1C[C@@H](N(C1)C(=O)CSc1cccs1)[*:1]
CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CSc2cccs2)C1 c1csc(c1)[*:1] CO[C@@H]1C[C@@H](C(=O)[O-])N(C1)C(=O)CS[*:1]
C[C@H]1CCN(Cc2ccc(C#N)o2)[C@H](c2ccco2)C1 c1coc(c1)[*:1] C[C@H]1CCN(Cc2ccc(C#N)o2)[C@H](C1)[*:1]
O=C(COc1ccc2ccccc2c1)NNC(=S)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(COc1ccc2ccccc2c1)NNC(=S)N[*:1]
O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N[C@@H](CO)[*:1]
O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N[C@@H](CO)C[*:1]
O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N[C@@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)N[C@@H](CO)Cc1ccccc1
CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccnc1 c1cncc(c1)[*:1] CN(CC(=O)NCc1cccs1)S(=O)(=O)[*:1]
CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccnc1 c1csc(c1)[*:1] CN(CC(=O)NC[*:1])S(=O)(=O)c1cccnc1
CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccnc1 c1csc(c1)C[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1cccnc1
C[C@H]1Oc2ccccc2C=C1/C=c1\sc2nc(-c3ccccc3)nn2c1=O c1ccc(cc1)[*:1] C[C@H]1Oc2ccccc2C=C1/C=c1\sc2nc(nn2c1=O)[*:1]
C[C@@H]1CCCCN1C(=O)c1ccn(COc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)c1ccn(CO[*:1])n1
COC(=O)C1(NC(=O)Cc2coc(-c3ccccc3)n2)CCCC1 c1ccc(cc1)[*:1] COC(=O)C1(CCCC1)NC(=O)Cc1coc(n1)[*:1]
COC(=O)C1(NC(=O)Cc2coc(-c3ccccc3)n2)CCCC1 COC(=O)[*:1] O=C(Cc1coc(n1)-c1ccccc1)NC1(CCCC1)[*:1]
CC[C@@H](C)CN(C)C(=O)N1CCC(CC(=O)[O-])CC1 CC[C@@H](C)[*:1] CN(C[*:1])C(=O)N1CCC(CC1)CC(=O)[O-]
CC[C@@H](C)CN(C)C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] CC[C@@H](C)CN(C)C(=O)N1CCC(CC1)[*:1]
CC[C@@H](C)CN(C)C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] CC[C@@H](C)CN(C)C(=O)N1CCC(CC1)C[*:1]
CC[C@@H](C)CN(C)C(=O)N1CCC(CC(=O)[O-])CC1 CC[C@@H](C)C[*:1] CN(C(=O)N1CCC(CC1)CC(=O)[O-])[*:1]
O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1c(O)cccc1O Fc1ccc(cc1)[*:1] O=C(Nc1nc(ns1)[*:1])c1c(O)cccc1O
Cc1ccccc1CC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F Cc1ccccc1C[*:1] O=C(Nc1ccc(F)c(c1)NC(=O)[*:1])c1ccc2OCOc2c1
Cc1ccccc1CC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F Cc1ccccc1[*:1] O=C(C[*:1])Nc1cc(ccc1F)NC(=O)c1ccc2OCOc2c1
Cc1ccccc1CC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F c1cc2OCOc2cc1[*:1] Cc1ccccc1CC(=O)Nc1cc(ccc1F)NC(=O)[*:1]
CC[C@@H](NC(=O)CSc1nnc(C2CC2)s1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@@H](NC(=O)CSc1nnc(s1)C1CC1)[*:1]
CC[C@@H](NC(=O)CSc1nnc(C2CC2)s1)c1ccc(Cl)cc1 C1CC1[*:1] CC[C@@H](NC(=O)CSc1nnc(s1)[*:1])c1ccc(Cl)cc1
CC(C)[C@@H]([NH2+]C[C@H](C)CO)c1cccc(C(F)(F)F)c1 C[C@H](CO)[*:1] CC(C)[C@@H]([NH2+]C[*:1])c1cccc(c1)C(F)(F)F
CC(C)[C@@H]([NH2+]C[C@H](C)CO)c1cccc(C(F)(F)F)c1 CC(C)[*:1] C[C@H](CO)C[NH2+][C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CC(C)[C@@H]([NH2+]C[C@H](C)CO)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[C@@H]([NH2+]C[C@H](C)CO)c1cccc(c1)[*:1]
CCSc1cccc(C(=O)N(Cc2ccco2)c2nc3ccc(S(C)(=O)=O)cc3s2)c1 CCS[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(Cc1ccco1)C(=O)c1cccc(c1)[*:1]
CCSc1cccc(C(=O)N(Cc2ccco2)c2nc3ccc(S(C)(=O)=O)cc3s2)c1 c1coc(c1)C[*:1] CCSc1cccc(c1)C(=O)N(c1nc2ccc(cc2s1)S(C)(=O)=O)[*:1]
CCSc1cccc(C(=O)N(Cc2ccco2)c2nc3ccc(S(C)(=O)=O)cc3s2)c1 CCSc1cccc(c1)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(Cc1ccco1)C(=O)[*:1]
CCSc1cccc(C(=O)N(Cc2ccco2)c2nc3ccc(S(C)(=O)=O)cc3s2)c1 c1coc(c1)[*:1] CCSc1cccc(c1)C(=O)N(C[*:1])c1nc2ccc(cc2s1)S(C)(=O)=O
CCSc1cccc(C(=O)N(Cc2ccco2)c2nc3ccc(S(C)(=O)=O)cc3s2)c1 CS(=O)(=O)[*:1] CCSc1cccc(c1)C(=O)N(Cc1ccco1)c1nc2ccc(cc2s1)[*:1]
Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)o2)s1 Clc1ccc(cc1)[*:1] Cc1ccc(s1)-c1nnc(o1)C1CC[NH+](CC1)C[*:1]
Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)o2)s1 Clc1ccc(cc1)C[*:1] Cc1ccc(s1)-c1nnc(o1)C1CC[NH+](CC1)[*:1]
Cc1ccc(-c2nnc(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)o2)s1 Cc1ccc(s1)[*:1] Clc1ccc(cc1)C[NH+]1CCC(CC1)c1nnc(o1)[*:1]
CCOC(=O)C[C@@H](C)Sc1ccncc1 CCOC(=O)[*:1] C[C@H](C[*:1])Sc1ccncc1
O=C(NO[C@@H]1CCCCO1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 c1coc(c1)[*:1] O=C(NO[C@@H]1CCCCO1)c1cc(nc2c1cnn2C[*:1])-c1cccnc1
O=C(NO[C@@H]1CCCCO1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 c1cncc(c1)[*:1] O=C(NO[C@@H]1CCCCO1)c1cc(nc2c1cnn2Cc1ccco1)[*:1]
O=C(NO[C@@H]1CCCCO1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 c1coc(c1)C[*:1] O=C(NO[C@@H]1CCCCO1)c1cc(nc2c1cnn2[*:1])-c1cccnc1
CC[C@@H](NS(=O)(=O)c1cccnc1)c1cc(F)ccc1F c1cncc(c1)[*:1] CC[C@@H](NS(=O)(=O)[*:1])c1cc(F)ccc1F
C=CC[NH2+][C@@]1(C(=O)[O-])CSCCC1(C)C C=CC[*:1] CC1(C)CCSC[C@@]1([NH2+][*:1])C(=O)[O-]
C=CC[NH2+][C@@]1(C(=O)[O-])CSCCC1(C)C O=C([O-])[*:1] C=CC[NH2+][C@]1(CSCCC1(C)C)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)nn3C(C)C)C2)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1cc(C)nn1[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)nn3C(C)C)C2)cc1 Cc1cc(n(n1)C(C)C)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)nn3C(C)C)C2)cc1 COc1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)[*:1])n(n1)C(C)C
O=C(NC1CCN(c2cnccn2)CC1)c1ccccc1[C@H]1CC[NH2+]C1 c1cnc(cn1)[*:1] O=C(NC1CCN(CC1)[*:1])c1ccccc1[C@H]1CC[NH2+]C1
CSc1ccc(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1NC(C)=O Cc1ccc(cc1)[*:1] CSc1ccc(cc1NC(C)=O)C(=O)Cn1nnc(n1)[*:1]
CSc1ccc(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1NC(C)=O CC(=O)N[*:1] CSc1ccc(cc1[*:1])C(=O)Cn1nnc(n1)-c1ccc(C)cc1
C[NH+]1CCC(OCCO)CC1 OCC[*:1] C[NH+]1CCC(CC1)O[*:1]
O=C(Cc1cccnc1)N[C@H]1CCCC[C@H]1OC1CCCC1 c1cncc(c1)C[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)[*:1]
O=C(Cc1cccnc1)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(Cc1cccnc1)N[C@H]1CCCC[C@H]1O[*:1]
O=C(Cc1cccnc1)N[C@H]1CCCC[C@H]1OC1CCCC1 c1cncc(c1)[*:1] O=C(C[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
O=C(Cc1cccnc1)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(Cc1cccnc1)N[C@H]1CCCC[C@@H]1[*:1]
Cc1ccc(NC(=O)NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CSc1nnc2c(Cl)cc(cn12)C(F)(F)F)NC(=O)N[*:1]
Cc1ccc(NC(=O)NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 FC(F)(F)[*:1] Cc1ccc(NC(=O)NC(=O)CSc2nnc3c(Cl)cc(cn23)[*:1])c(C)c1
Cc1nnc(-c2cc3ccccc3n2CC(N)=O)o1 NC(=O)C[*:1] Cc1nnc(o1)-c1cc2ccccc2n1[*:1]
Cc1nnc(-c2cc3ccccc3n2CC(N)=O)o1 NC(=O)[*:1] Cc1nnc(o1)-c1cc2ccccc2n1C[*:1]
Cc1nnc(-c2cc3ccccc3n2CC(N)=O)o1 Cc1nnc(o1)[*:1] NC(=O)Cn1c(cc2ccccc21)[*:1]
O=C(CSc1nnc(-c2ccncc2)o1)N1CCSc2ccccc21 c1cc(ccn1)[*:1] O=C(CSc1nnc(o1)[*:1])N1CCSc2ccccc21
COC(=O)N1CCN(CCNC(=O)COc2cccc(C)c2)CC1 Cc1cccc(c1)O[*:1] COC(=O)N1CCN(CCNC(=O)C[*:1])CC1
COC(=O)N1CCN(CCNC(=O)COc2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] COC(=O)N1CCN(CCNC(=O)CO[*:1])CC1
Cc1ccc2c(c1)N(C(=O)C[C@H]1CCCO1)C[C@@H](C)O2 C1CO[C@H](C1)C[*:1] Cc1ccc2O[C@H](C)CN(C(=O)[*:1])c2c1
Cc1ccc2c(c1)N(C(=O)C[C@H]1CCCO1)C[C@@H](C)O2 C1CO[C@H](C1)[*:1] Cc1ccc2O[C@H](C)CN(C(=O)C[*:1])c2c1
Cc1c(C(=O)Nc2cnn(-c3ccccc3F)c2)cnn1C Fc1ccccc1[*:1] Cc1c(cnn1C)C(=O)Nc1cnn(c1)[*:1]
Cc1c(C(=O)Nc2cnn(-c3ccccc3F)c2)cnn1C Cc1c(cnn1C)[*:1] O=C(Nc1cnn(c1)-c1ccccc1F)[*:1]
Cc1cc2c(cc1S(=O)(=O)N1CCCC[C@@H]1c1cccnc1)OCC(=O)N2 c1cncc(c1)[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N1CCCC[C@H]1[*:1]
CCCCn1cc(C(N)=O)c2cc(C(=O)[O-])cnc21 CCC[*:1] NC(=O)c1cn(C[*:1])c2ncc(cc12)C(=O)[O-]
CCCCn1cc(C(N)=O)c2cc(C(=O)[O-])cnc21 CCCC[*:1] NC(=O)c1cn(c2ncc(cc12)C(=O)[O-])[*:1]
CCCCn1cc(C(N)=O)c2cc(C(=O)[O-])cnc21 O=C([O-])[*:1] CCCCn1cc(C(N)=O)c2cc(cnc21)[*:1]
CCCCn1cc(C(N)=O)c2cc(C(=O)[O-])cnc21 NC(=O)[*:1] CCCCn1cc(c2cc(cnc21)C(=O)[O-])[*:1]
S=C(Nc1ccccc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] S=C(N[*:1])N1CCC(CC1)Cc1ccccc1
S=C(Nc1ccccc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] S=C(Nc1ccccc1)N1CCC(CC1)C[*:1]
S=C(Nc1ccccc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] S=C(Nc1ccccc1)N1CCC(CC1)[*:1]
CCN(c1nc(C(C)C)c(C[NH2+]C)s1)c1ccccc1C Cc1ccccc1[*:1] CCN(c1nc(c(C[NH2+]C)s1)C(C)C)[*:1]
CCN(c1nc(C(C)C)c(C[NH2+]C)s1)c1ccccc1C CC(C)[*:1] CCN(c1nc(c(C[NH2+]C)s1)[*:1])c1ccccc1C
CCN(Cc1ccc(Cl)s1)C(=O)CCc1cccnc1 Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)CCc1cccnc1
CCN(Cc1ccc(Cl)s1)C(=O)CCc1cccnc1 c1cncc(c1)[*:1] CCN(Cc1ccc(Cl)s1)C(=O)CC[*:1]
Cn1ncc2c(NCCc3ccncc3)nc(-c3ccncc3)nc21 c1cc(ccn1)C[*:1] Cn1ncc2c(nc(nc21)-c1ccncc1)NC[*:1]
Cn1ncc2c(NCCc3ccncc3)nc(-c3ccncc3)nc21 c1cc(ccn1)[*:1] Cn1ncc2c(nc(nc21)[*:1])NCCc1ccncc1
Cn1ncc2c(NCCc3ccncc3)nc(-c3ccncc3)nc21 c1cc(ccn1)CC[*:1] Cn1ncc2c(nc(nc21)-c1ccncc1)N[*:1]
Cn1ncc2c(NCCc3ccncc3)nc(-c3ccncc3)nc21 c1cc(ccn1)[*:1] Cn1ncc2c(nc(nc21)-c1ccncc1)NCC[*:1]
C[C@H](Nc1ccc(NC(=O)[C@H]2CCO[C@@H]2C)cc1Cl)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(N[*:1])c(Cl)c1
C[C@H](Nc1ccc(NC(=O)[C@H]2CCO[C@@H]2C)cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ccc(cc1Cl)NC(=O)[C@H]1CCO[C@@H]1C)[*:1]
CC(C)Oc1cccnc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 CC(C)[*:1] C[C@H](NC(=O)c1ncccc1O[*:1])c1nc2ccccc2[nH]1
CC(C)Oc1cccnc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 CC(C)O[*:1] C[C@H](NC(=O)c1ncccc1[*:1])c1nc2ccccc2[nH]1
C=C[C@H]1C[C@]1(C(=O)OCC)C(=O)OC(C)(C)C CC(C)(C)[*:1] C=C[C@H]1C[C@]1(C(=O)OCC)C(=O)O[*:1]
C=C[C@H]1C[C@]1(C(=O)OCC)C(=O)OC(C)(C)C CCOC(=O)[*:1] C=C[C@H]1C[C@@]1(C(=O)OC(C)(C)C)[*:1]
C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Cn1cc(ccc1=O)[*:1]
Cc1cc(C)cc(O[C@H]2CC[C@]([NH2+]C3CC3)(C(N)=O)C2)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)O[C@H]1CC[C@@](C1)([NH2+]C1CC1)[*:1]
Cc1cc(C)cc(O[C@H]2CC[C@]([NH2+]C3CC3)(C(N)=O)C2)c1 C1CC1[*:1] Cc1cc(C)cc(c1)O[C@H]1CC[C@](C1)([NH2+][*:1])C(N)=O
O=C(NCc1nnc2n1CCC2)N1CC[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1nnc2CCCn21)N1CC[C@H]1[*:1]
COC(=O)/C=C1\S/C(=N\c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O COC(=O)[*:1] O=C1C(=C[*:1])S/C(=N\c2ccc(F)cc2)N1Cc1ccc2OCOc2c1
COC(=O)/C=C1\S/C(=N\c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O Fc1ccc(cc1)[*:1] COC(=O)/C=C1\SC(=N[*:1])N(Cc2ccc3OCOc3c2)C1=O
COC(=O)/C=C1\S/C(=N\c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=O c1cc2OCOc2cc1[*:1] COC(=O)/C=C1\S/C(=N\c2ccc(F)cc2)N(C[*:1])C1=O
COc1cc(C)ccc1NC(=O)C(=O)NCc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] COc1cc(C)ccc1NC(=O)C(=O)NC[*:1]
O=C(NCc1cccnc1)c1n[nH]nc1Nc1ccc(Cl)cc1 c1cncc(c1)C[*:1] O=C(N[*:1])c1n[nH]nc1Nc1ccc(Cl)cc1
O=C(NCc1cccnc1)c1n[nH]nc1Nc1ccc(Cl)cc1 c1cncc(c1)[*:1] O=C(NC[*:1])c1n[nH]nc1Nc1ccc(Cl)cc1
O=C(NCc1cccnc1)c1n[nH]nc1Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1n[nH]nc1N[*:1]
CC(C)[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc2c(c1)CCO2 c1cc2OCCc2cc1[*:1] CC(C)[C@@H]([NH2+]Cc1cccc(c1)NC(=O)C1CCC1)[*:1]
CC(C)[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc2c(c1)CCO2 O=C(N[*:1])C1CCC1 CC(C)[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1ccc2OCCc2c1
CC(C)[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc2c(c1)CCO2 C1CC(C1)[*:1] CC(C)[C@@H]([NH2+]Cc1cccc(c1)NC(=O)[*:1])c1ccc2OCCc2c1
CC(C)[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc2c(c1)CCO2 CC(C)[*:1] O=C(Nc1cccc(c1)C[NH2+][C@@H](c1ccc2OCCc2c1)[*:1])C1CCC1
O=C(COc1ccc(F)c(Cl)c1)O[C@@H]1CCC[C@H]1n1cccn1 c1cnn(c1)[*:1] O=C(COc1ccc(F)c(Cl)c1)O[C@@H]1CCC[C@@H]1[*:1]
CC[C@@H](C)c1ccc(Cn2c(C=O)nc3ccccc32)cc1 CC[C@@H](C)[*:1] O=Cc1nc2ccccc2n1Cc1ccc(cc1)[*:1]
O=C(Nc1ccc(Br)cc1)c1ccc(=O)n(Cc2ccccc2F)c1 Brc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(=O)n(c1)Cc1ccccc1F
O=C(Nc1ccc(Br)cc1)c1ccc(=O)n(Cc2ccccc2F)c1 Fc1ccccc1C[*:1] O=C(Nc1ccc(Br)cc1)c1ccc(=O)n(c1)[*:1]
O=C(Nc1ccc(Br)cc1)c1ccc(=O)n(Cc2ccccc2F)c1 Fc1ccccc1[*:1] O=C(Nc1ccc(Br)cc1)c1ccc(=O)n(c1)C[*:1]
CC(C)(C)Nc1ncnc(NC(c2ccccc2)c2ccccc2)c1N c1ccc(cc1)[*:1] CC(C)(C)Nc1ncnc(NC(c2ccccc2)[*:1])c1N
CC(C)(C)Nc1ncnc(NC(c2ccccc2)c2ccccc2)c1N CC(C)(C)N[*:1] Nc1c(ncnc1[*:1])NC(c1ccccc1)c1ccccc1
CC(C)(C)Nc1ncnc(NC(c2ccccc2)c2ccccc2)c1N CC(C)(C)[*:1] Nc1c(ncnc1N[*:1])NC(c1ccccc1)c1ccccc1
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)Nc3ccccc3F)c1)C2=O O=S(=O)(Nc1ccccc1F)[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(c1)[*:1])C2=O
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)Nc3ccccc3F)c1)C2=O Fc1ccccc1[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(c1)S(=O)(=O)N[*:1])C2=O
CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3cn(C)nc3C)nc21 COC(=O)[*:1] CCn1c(=S)[nH]c(=O)c2c(cc(nc21)-c1cn(C)nc1C)[*:1]
CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3cn(C)nc3C)nc21 Cc1nn(C)cc1[*:1] CCn1c(=S)[nH]c(=O)c2c(cc(nc21)[*:1])C(=O)OC
O=C(Nc1cnn(-c2ncccn2)c1)Nc1ccc(Cl)cc1Cl c1cnc(nc1)[*:1] O=C(Nc1cnn(c1)[*:1])Nc1ccc(Cl)cc1Cl
CCn1c(CCC[NH3+])nc2ccccc21 [NH3+]CC[*:1] CCn1c(C[*:1])nc2ccccc21
CCn1c(CCC[NH3+])nc2ccccc21 [NH3+]CCC[*:1] CCn1c(nc2ccccc21)[*:1]
CCCN(C(=O)N(CC)CC)C1C[NH2+]C1 CCC[*:1] CCN(CC)C(=O)N(C1C[NH2+]C1)[*:1]
Cc1ncccc1CN(C)[C@@H](C)CC#N N#CC[*:1] Cc1ncccc1CN(C)[C@@H](C)[*:1]
Cc1ncccc1CN(C)[C@@H](C)CC#N C[C@@H](CC#N)[*:1] Cc1ncccc1CN(C)[*:1]
CCCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)c1 CCCCO[*:1] Cc1ccc2oc3C(=O)N(CCO)[C@@H](c4cccc(c4)[*:1])c3c(=O)c2c1
CCCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)c1 OCC[*:1] CCCCOc1cccc(c1)[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
CCCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)c1 CCC[*:1] Cc1ccc2oc3C(=O)N(CCO)[C@@H](c4cccc(c4)OC[*:1])c3c(=O)c2c1
CCCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)c1 CCCC[*:1] Cc1ccc2oc3C(=O)N(CCO)[C@@H](c4cccc(c4)O[*:1])c3c(=O)c2c1
CC(C)CC[C@@H](C)NC(=O)c1c(F)cc(Br)cc1F CC(C)C[*:1] C[C@H](C[*:1])NC(=O)c1c(F)cc(Br)cc1F
CC(C)CC[C@@H](C)NC(=O)c1c(F)cc(Br)cc1F CC(C)CC[*:1] C[C@@H](NC(=O)c1c(F)cc(Br)cc1F)[*:1]
CC(C)CC[C@@H](C)NC(=O)c1c(F)cc(Br)cc1F CC(C)[*:1] C[C@H](CC[*:1])NC(=O)c1c(F)cc(Br)cc1F
NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1nc2ccccc2s1 NC(=O)[*:1] O=C(/C=C/c1nc2ccccc2s1)N1CCC[C@H]1[*:1]
O=C(Nc1ccc(Sc2nncs2)cc1)c1scnc1C1CC1 C1CC1[*:1] O=C(Nc1ccc(cc1)Sc1nncs1)c1scnc1[*:1]
O=C(Nc1ccc(Sc2nncs2)cc1)c1scnc1C1CC1 c1nnc(S[*:1])s1 O=C(Nc1ccc(cc1)[*:1])c1scnc1C1CC1
O=C(Nc1ccc(Sc2nncs2)cc1)c1scnc1C1CC1 c1nnc(s1)[*:1] O=C(Nc1ccc(cc1)S[*:1])c1scnc1C1CC1
Cc1cnc2c(c1)nc(CCCl)n2-c1ccc(F)c(C)c1 ClCC[*:1] Cc1cnc2c(c1)nc(n2-c1ccc(F)c(C)c1)[*:1]
Cc1cc(CCC(=O)N2CCCC2)nc([C@@H]2CCC[NH2+]2)n1 O=C(N1CCCC1)[*:1] Cc1cc(CC[*:1])nc(n1)[C@@H]1CCC[NH2+]1
C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 CC(C)(C)OC(=O)N[*:1] C[C@H](C(=O)N1CCC[C@@H]1c1ccc(F)cc1)[*:1]
C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)O[*:1])C(=O)N1CCC[C@@H]1c1ccc(F)cc1
C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1[*:1]
COc1ccc(C2(C(=O)N3CCCN(CC(F)(F)F)CC3)CCCC2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C1(CCCC1)C(=O)N1CCCN(CC1)C[*:1]
COc1ccc(C2(C(=O)N3CCCN(CC(F)(F)F)CC3)CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(N1CCCN(CC1)CC(F)(F)F)C1(CCCC1)[*:1]
COc1ccc(C2(C(=O)N3CCCN(CC(F)(F)F)CC3)CCCC2)cc1 FC(F)(F)C[*:1] COc1ccc(cc1)C1(CCCC1)C(=O)N1CCCN(CC1)[*:1]
CC1(C)CC(=O)c2sc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)nc2C1 Fc1ccc(cc1Cl)[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 CC(C)OC(=O)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)NC[C@@H](C)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 Fc1ccc(cc1)[*:1] CC(C)OC(=O)[C@H](C)CNC(=O)N1C[C@H](O[C@H](C)C1)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 CC(C)OC(=O)[C@H](C)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)NC[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 CC(C)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)NC[C@@H](C)C(=O)O[*:1]
CC[C@H](CCO)C[NH2+][C@H]1CCc2ccccc2C1 CC[C@H](CCO)[*:1] c1ccc2C[C@H](CCc2c1)[NH2+]C[*:1]
CC[C@H](CCO)C[NH2+][C@H]1CCc2ccccc2C1 OCC[*:1] CC[C@H](C[NH2+][C@H]1CCc2ccccc2C1)[*:1]
C=CCC(=O)N1CCC[C@H](CCc2ccc(OC)cc2)C1 C=CC[*:1] COc1ccc(cc1)CC[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(-c2cncc3ccc(C(=O)N4CCN(c5ccccn5)CC4)nc23)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)-c1cncc2ccc(nc12)C(=O)N1CCN(CC1)[*:1]
COc1ccc(-c2cncc3ccc(C(=O)N4CCN(c5ccccn5)CC4)nc23)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc2cncc(c2n1)[*:1])N1CCN(CC1)c1ccccn1
Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 CC(C)C(=O)NC[*:1] Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 CC(C)C(=O)N[*:1] Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C1)C[*:1]
Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 Cc1ccc(Cl)cc1[*:1] CC(C)C(=O)NC[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 CC(C)[*:1] Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H](CNC(=O)[*:1])C1
CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2cccc3c2CCCC3)c1 CC(=O)[*:1] C[C@@H](Nc1cccc2CCCCc21)C(=O)Nc1cccc(c1)[*:1]
Cc1c(C(=O)N(C)C2CCCCC2)sc2ccccc12 C1CCC(CC1)[*:1] Cc1c(sc2ccccc12)C(=O)N(C)[*:1]
COc1ccc(CNC(=O)NCc2ccc(F)cc2CSC)cc1F CSC[*:1] COc1ccc(cc1F)CNC(=O)NCc1ccc(F)cc1[*:1]
N#CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] N#CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2[*:1])cc1
N#CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1 N#CC[*:1] O=C(/C=C\c1ccc(cc1)O[*:1])N1CCC[C@@H]1CCc1ccccc1
N#CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] N#CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2C[*:1])cc1
N#CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1 N#CCO[*:1] O=C(/C=C\c1ccc(cc1)[*:1])N1CCC[C@@H]1CCc1ccccc1
N#CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1 c1ccc(cc1)[*:1] N#CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2CC[*:1])cc1
CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 FC(F)(F)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCCCO2)c(F)c1 C1CC[C@H](OC1)[*:1] NS(=O)(=O)c1ccc(NC(=O)C[*:1])c(F)c1
NS(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCCCO2)c(F)c1 C1CC[C@@H](C[*:1])OC1 NS(=O)(=O)c1ccc(NC(=O)[*:1])c(F)c1
NS(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCCCO2)c(F)c1 NS(=O)(=O)[*:1] O=C(C[C@@H]1CCCCO1)Nc1ccc(cc1F)[*:1]
COc1ccc(Cl)c2sc(N(C[C@@H]3CCCO3)C(=O)c3nc4ccccc4s3)nc12 c1ccc2sc(nc2c1)[*:1] COc1ccc(Cl)c2sc(nc12)N(C[C@@H]1CCCO1)C(=O)[*:1]
O=C(NCc1ccco1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccco1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1[*:1]
O=C(NCc1ccco1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 c1coc(c1)C[*:1] O=C(N[*:1])[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1
O=C(NCc1ccco1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 c1coc(c1)[*:1] O=C(NC[*:1])[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1
O=C(NCc1ccco1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccco1)[C@@H]1Sc2nnc(n2N[C@@H]1c1ccccc1)[*:1]
O=C(NCc1ccco1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 O=C(NCc1ccco1)[*:1] c1ccc(cc1)-c1nnc2S[C@H]([C@H](Nn21)c1ccccc1)[*:1]
C[NH2+][C@H](C)c1ccccc1Oc1ccccc1C(C)C CC(C)[*:1] C[NH2+][C@H](C)c1ccccc1Oc1ccccc1[*:1]
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1N(C)C CN(C)[*:1] C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1[*:1]
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1N(C)C c1ccc(cc1)C[*:1] C[C@@H](N[C@@H](C(=O)N(C)C)[*:1])c1ccccc1N(C)C
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1N(C)C c1ccc(cc1)[*:1] C[C@@H](N[C@@H](C[*:1])C(=O)N(C)C)c1ccccc1N(C)C
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1N(C)C CN(C)C(=O)[*:1] C[C@@H](N[C@@H](Cc1ccccc1)[*:1])c1ccccc1N(C)C
CCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(C)c(C)c3)=C2)c1C Cc1ccc(cc1C)[*:1] CCn1ncc(C2C=C(C(=O)N[*:1])N(C)S(=O)(=O)N=2)c1C
CCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(C)c(C)c3)=C2)c1C CCn1ncc(c1C)[*:1] Cc1ccc(cc1C)NC(=O)C1=CC(=NS(=O)(=O)N1C)[*:1]
C[C@H]1C[C@H]1C(=O)NCCC(=O)NCc1ncc(-c2ccccc2)[nH]1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1C(=O)NCCC(=O)NCc1ncc([nH]1)[*:1]
O=C(Nc1cccc(CSc2ccccn2)c1)N1CCC[C@@H](O)C1 c1ccc(nc1)SC[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@@H](O)C1
O=C(Nc1cccc(CSc2ccccn2)c1)N1CCC[C@@H](O)C1 c1ccc(nc1)S[*:1] O=C(Nc1cccc(c1)C[*:1])N1CCC[C@@H](O)C1
O=C(Nc1cccc(CSc2ccccn2)c1)N1CCC[C@@H](O)C1 c1ccc(nc1)[*:1] O=C(Nc1cccc(c1)CS[*:1])N1CCC[C@@H](O)C1
CC(C)S(=O)(=O)N[C@](C)(C(=O)[O-])C(F)(F)F CC(C)[*:1] C[C@@](NS(=O)(=O)[*:1])(C(=O)[O-])C(F)(F)F
CC(C)S(=O)(=O)N[C@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] CC(C)S(=O)(=O)N[C@](C)(C(=O)[O-])[*:1]
CC(C)S(=O)(=O)N[C@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] CC(C)S(=O)(=O)N[C@](C)(C(F)(F)F)[*:1]
COC(=O)C1(N(C)C(=O)[C@@H](C)c2cccnc2)CCCCC1 COC(=O)[*:1] C[C@H](C(=O)N(C)C1(CCCCC1)[*:1])c1cccnc1
COC(=O)C1(N(C)C(=O)[C@@H](C)c2cccnc2)CCCCC1 c1cncc(c1)[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)[C@@H](C)[*:1]
O=C(N[C@H]1CCOc2ccccc21)[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(N[C@H]1CCOc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
CCCN1C(=O)[C@H](C(=O)Nc2nc3ccc(C)cc3s2)[C@H](O)c2ccccc21 CCC[*:1] Cc1ccc2nc(NC(=O)[C@H]3C(=O)N(c4ccccc4[C@H]3O)[*:1])sc2c1
COc1ccccc1/C=C/C(=O)N1CCC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] COc1ccccc1/C=C/C(=O)N1CCC[C@H](C1)[*:1]
COc1ccccc1/C=C/C(=O)N1CCC[C@H](c2ccccc2)C1 COc1ccccc1[*:1] O=C(C=C[*:1])N1CCC[C@@H](C1)c1ccccc1
Cc1nn(C)c(Cl)c1/C=C/C(=O)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)C[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C[*:1])C1CCCC1
Cc1nn(C)c(Cl)c1/C=C/C(=O)N(CCC(F)(F)F)C1CCCC1 Cc1nn(C)c(Cl)c1[*:1] O=C(C=C[*:1])N(CCC(F)(F)F)C1CCCC1
Cc1nn(C)c(Cl)c1/C=C/C(=O)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)CC[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C1CCCC1)[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N(CC[*:1])C1CCCC1
Cc1nn(C)c(Cl)c1/C=C/C(=O)N(CCC(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N(CCC(F)(F)F)[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 CN(C)C(=O)[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(cc1)C[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 CN(C)C(=O)C[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(cc1)[*:1]
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)OCC)ccc21 CCC[*:1] CCOC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2[*:1]
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)OCC)ccc21 CCOC(=O)N[*:1] CCCN1C(=O)C(C)(C)COc2cc(ccc21)[*:1]
Cc1c(C(=O)N[C@H](CO)c2ccco2)sc2nccn12 c1coc(c1)[*:1] Cc1c(sc2nccn12)C(=O)N[C@H](CO)[*:1]
CCOc1cccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 CCO[*:1] O=C(Nc1cccc(c1)[*:1])N1CCO[C@H](C1)c1ccc(F)cc1
CCOc1cccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] CCOc1cccc(c1)NC(=O)N1CCO[C@@H](C1)[*:1]
COc1ccc(C(=O)CCC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1F c1ccc(cc1)C[*:1] COc1ccc(cc1F)C(=O)CCC(=O)N1CC[C@H](C1)[*:1]
COc1ccc(C(=O)CCC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)C(=O)CCC(=O)N1CC[C@@H](C1)C[*:1]
COc1ccc(C(=O)CCC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1F COc1ccc(cc1F)[*:1] O=C(CCC(=O)[*:1])N1CC[C@H](Cc2ccccc2)C1
NC(=O)COc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 NC(=O)CO[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1cccc(c1)C(F)(F)F
NC(=O)COc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] NC(=O)COc1ccc(cc1)NS(=O)(=O)c1cccc(c1)[*:1]
NC(=O)COc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 NC(=O)C[*:1] O=S(=O)(Nc1ccc(cc1)O[*:1])c1cccc(c1)C(F)(F)F
NC(=O)COc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 NC(=O)[*:1] O=S(=O)(Nc1ccc(cc1)OC[*:1])c1cccc(c1)C(F)(F)F
Cc1cnc(NC[C@H]2CCCN(c3ncccn3)C2)nc1C c1cnc(nc1)[*:1] Cc1cnc(nc1C)NC[C@H]1CCCN(C1)[*:1]
O=C(Cc1c(Cl)cccc1Cl)Nc1nc(C[NH+]2CCCCC2)cs1 Clc1cccc(Cl)c1[*:1] O=C(C[*:1])Nc1nc(cs1)C[NH+]1CCCCC1
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccco1 c1coc(c1)[*:1] CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)C=C[*:1])C(F)(F)F
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccco1 FC(F)(F)[*:1] CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)/C=C/c1ccco1)[*:1]
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccco1 C(=C[*:1])c1ccco1 CC(C)(C)OC(=O)Nc1ccc(cc1NC(=O)[*:1])C(F)(F)F
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccco1 CC(C)(C)[*:1] O=C(/C=C/c1ccco1)Nc1cc(ccc1NC(=O)O[*:1])C(F)(F)F
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccco1 CC(C)(C)OC(=O)N[*:1] O=C(/C=C/c1ccco1)Nc1cc(ccc1[*:1])C(F)(F)F
Cc1noc(NC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)n1 Cc1noc(n1)[*:1] C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[*:1]
Cc1noc(NC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)n1 Brc1ccc(s1)[*:1] Cc1noc(n1)NC(=O)[C@@H](C)NC(=O)[*:1]
Cn1nnnc1SCC[C@@H]1CCC[C@@]1([NH3+])C(=O)[O-] O=C([O-])[*:1] Cn1nnnc1SCC[C@@H]1CCC[C@]1([NH3+])[*:1]
Cn1nnnc1SCC[C@@H]1CCC[C@@]1([NH3+])C(=O)[O-] Cn1nnnc1[*:1] [NH3+][C@]1(CCC[C@H]1CCS[*:1])C(=O)[O-]
N#Cc1csc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1 N#Cc1csc(c1)[*:1] O=C(N1CCN(CC1)Cc1ccc(F)cc1Cl)[*:1]
N#Cc1csc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1 Fc1ccc(c(Cl)c1)[*:1] N#Cc1csc(c1)C(=O)N1CCN(CC1)C[*:1]
C[C@H]1CC(=O)N(CC(=O)NC(C)(C)C)C[C@H]1[NH3+] CC(C)(C)[*:1] C[C@H]1CC(=O)N(CC(=O)N[*:1])C[C@H]1[NH3+]
COc1cccc(C(=O)N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 FC(F)(F)[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])[*:1])[N+](=O)[O-]
COc1cccc(C(=O)N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)c1c(cc(cc1[*:1])C(F)(F)F)[N+](=O)[O-]
COc1cccc(C(=O)N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 COc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])[*:1]
CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)cc1 Clc1ccc(nc1)[*:1] CCOc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)cc1 CCO[*:1] O=C(Nc1ccc(Cl)cn1)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
Cn1c(SCc2cccc(Cl)c2)nc(=O)c2c1NC(=O)C[C@@H]2c1ccc(F)cc1F Clc1cccc(c1)CS[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@@H]2c1ccc(F)cc1F)[*:1]
Cn1c(SCc2cccc(Cl)c2)nc(=O)c2c1NC(=O)C[C@@H]2c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2[*:1])SCc1cccc(Cl)c1
Cn1c(SCc2cccc(Cl)c2)nc(=O)c2c1NC(=O)C[C@@H]2c1ccc(F)cc1F Clc1cccc(c1)[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@@H]2c1ccc(F)cc1F)SC[*:1]
Cn1c(SCc2cccc(Cl)c2)nc(=O)c2c1NC(=O)C[C@@H]2c1ccc(F)cc1F Clc1cccc(c1)C[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@@H]2c1ccc(F)cc1F)S[*:1]
C[C@](NC(=O)C[C@@H]1CCCCO1)(C(=O)[O-])c1ccccc1 C1CC[C@H](OC1)[*:1] C[C@](NC(=O)C[*:1])(C(=O)[O-])c1ccccc1
C[C@](NC(=O)C[C@@H]1CCCCO1)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@](NC(=O)C[C@@H]1CCCCO1)(C(=O)[O-])[*:1]
C[C@](NC(=O)C[C@@H]1CCCCO1)(C(=O)[O-])c1ccccc1 C1CC[C@@H](C[*:1])OC1 C[C@](NC(=O)[*:1])(C(=O)[O-])c1ccccc1
C[C@](NC(=O)C[C@@H]1CCCCO1)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] C[C@](NC(=O)C[C@@H]1CCCCO1)(c1ccccc1)[*:1]
CC(C)(C)c1nc(CSCC(=O)Nc2cc(F)ccc2F)no1 CC(C)(C)[*:1] O=C(CSCc1noc(n1)[*:1])Nc1cc(F)ccc1F
Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 O=[N+]([O-])[*:1] Cn1cnc(c1N1CCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] Cn1cnc(c1N1CCN(CC1)c1ccc(cn1)[*:1])[N+](=O)[O-]
CC1(C)C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)c2ccc(F)cc2O1 N#CCC[*:1] CC1(C)C[C@@H]([NH2+][C@H](c2ccccc2)[*:1])c2ccc(F)cc2O1
CC1(C)C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)c2ccc(F)cc2O1 N#CC[*:1] CC1(C)C[C@@H]([NH2+][C@H](C[*:1])c2ccccc2)c2ccc(F)cc2O1
CC1(C)C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)c2ccc(F)cc2O1 c1ccc(cc1)[*:1] CC1(C)C[C@@H]([NH2+][C@H](CCC#N)[*:1])c2ccc(F)cc2O1
C[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 c1cc(ccn1)[*:1] C[C@@H](N(C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 C[C@@H](c1ccncc1)[*:1] C[C@H](CNC(=O)N(C)[*:1])C[NH+]1CCN(C)CC1
CCOc1ccc(NC(=O)c2ccsc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOc1ccc(NC(=O)c2ccsc2)c(c1)[*:1]
CCOc1ccc(NC(=O)c2ccsc2)c([N+](=O)[O-])c1 CCO[*:1] O=C(Nc1ccc(cc1[N+](=O)[O-])[*:1])c1ccsc1
CCOc1ccc(NC(=O)c2ccsc2)c([N+](=O)[O-])c1 c1cc(cs1)[*:1] CCOc1ccc(NC(=O)[*:1])c(c1)[N+](=O)[O-]
CCCOc1ccccc1NC(=O)Nc1ccc(C)cc1 CCCO[*:1] Cc1ccc(cc1)NC(=O)Nc1ccccc1[*:1]
CCCOc1ccccc1NC(=O)Nc1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)NC(=O)Nc1ccccc1O[*:1]
CCCOc1ccccc1NC(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCOc1ccccc1NC(=O)N[*:1]
O=S(=O)(NCc1ccccc1OC(F)F)c1ccc2ccccc2c1 FC(F)O[*:1] O=S(=O)(NCc1ccccc1[*:1])c1ccc2ccccc2c1
O=S(=O)(NCc1ccccc1OC(F)F)c1ccc2ccccc2c1 FC(F)[*:1] O=S(=O)(NCc1ccccc1O[*:1])c1ccc2ccccc2c1
CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)cc1 Cc1cccc(c1)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)OCC(=O)N[*:1]
CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)cc1 CCc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)COC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(N2CCCC2)n1 C1CCN(C1)[*:1] Cc1cc(nc(n1)[*:1])N1CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F
Cc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(N2CCCC2)n1 FC(F)(F)[*:1] Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(N2CCCC2)n1 FC(F)(F)c1ccc(cc1)[*:1] Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)[*:1]
CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CCc1cccs1 c1csc(c1)CC[*:1] CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)[*:1]
CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CCc1cccs1 c1csc(c1)C[*:1] CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)C[*:1]
CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CCc1cccs1 c1csc(c1)[*:1] CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CC[*:1]
CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CCc1cccs1 Brc1ccc(cc1)[*:1] CC[C@H]([NH3+])[C@@H](N(C)CCc1cccs1)[*:1]
CSCC[C@H](NC(=O)c1ccccc1Br)C(N)=O CSC[*:1] NC(=O)[C@H](C[*:1])NC(=O)c1ccccc1Br
CSCC[C@H](NC(=O)c1ccccc1Br)C(N)=O CSCC[*:1] NC(=O)[C@@H](NC(=O)c1ccccc1Br)[*:1]
CSCC[C@H](NC(=O)c1ccccc1Br)C(N)=O NC(=O)[*:1] CSCC[C@H](NC(=O)c1ccccc1Br)[*:1]
Cn1cc(CN(C(=O)Cn2c(=O)[nH]c3ccccc32)C2CCCCC2)cn1 Cn1cc(cn1)C[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)N(C1CCCCC1)[*:1]
Cn1cc(CN(C(=O)Cn2c(=O)[nH]c3ccccc32)C2CCCCC2)cn1 Cn1cc(cn1)[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)N(C[*:1])C1CCCCC1
Cn1cc(CN(C(=O)Cn2c(=O)[nH]c3ccccc32)C2CCCCC2)cn1 C1CCC(CC1)[*:1] Cn1cc(cn1)CN(C(=O)Cn1c(=O)[nH]c2ccccc21)[*:1]
CCC(=O)Nc1cccc(C(=O)N2CCC(c3nncn3CC)CC2)c1 CCC(=O)N[*:1] CCn1cnnc1C1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CCC(=O)Nc1cccc(C(=O)N2CCC(c3nncn3CC)CC2)c1 CCn1cnnc1[*:1] CCC(=O)Nc1cccc(c1)C(=O)N1CCC(CC1)[*:1]
CC(C)CCC(=O)NCc1nc2ccccc2s1 CC(C)CC[*:1] O=C(NCc1nc2ccccc2s1)[*:1]
CC(C)CCC(=O)NCc1nc2ccccc2s1 CC(C)C[*:1] O=C(C[*:1])NCc1nc2ccccc2s1
CC(C)CCC(=O)NCc1nc2ccccc2s1 CC(C)[*:1] O=C(CC[*:1])NCc1nc2ccccc2s1
O=C(Nc1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2 Clc1ccccc1[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)N[*:1]
COc1cccc2c1OC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C2 Cc1ccc(cc1)[*:1] COc1cccc2C[C@@H](COc21)NS(=O)(=O)[*:1]
Brc1cnc(NC[C@@]2(N3CCOCC3)CCSC2)nc1 C1CN(CCO1)[*:1] Brc1cnc(nc1)NC[C@]1(CCSC1)[*:1]
CCC(=O)N/N=C/c1c(C)nn(C(C)C)c1C CC(C)[*:1] CCC(=O)N/N=C/c1c(C)nn(c1C)[*:1]
CCCC1=NC(SCC(=O)NC(N)=O)=NC(=O)C1 CCC[*:1] NC(=O)NC(=O)CSC1=NC(=O)CC(=N1)[*:1]
CCCC1=NC(SCC(=O)NC(N)=O)=NC(=O)C1 NC(=O)NC(=O)[*:1] CCCC1CC(=O)N=C(N=1)SC[*:1]
COCCCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] COCCCN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCc2ccccc2C1
COCCCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] COC[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc2C1)NCC[*:1]
COCCCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] COCCC[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc2C1)N[*:1]
COCCCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COCCCNc1ncnc(c1[*:1])N1CCc2ccccc2C1
COCCCNc1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] COCC[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc2C1)NC[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C Cc1noc(C)c1[*:1] Cc1[nH]c(C(=O)N[C@H](C)[*:1])c(C)c1C(=O)OC(C)C
Cc1noc(C)c1[C@@H](C)NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C CC(C)OC(=O)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)c1[nH]c(C)c(c1C)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C CC(C)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)c1[nH]c(C)c(C(=O)O[*:1])c1C
COc1ccccc1N(C)c1nc(C(C)C)c(C[NH3+])s1 CC(C)[*:1] COc1ccccc1N(C)c1nc(c(C[NH3+])s1)[*:1]
O=C1COc2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc2N1 Clc1ccc(cc1)S[*:1] O=C1COc2cc(ccc2N1)C(=O)NCC[*:1]
O=C1COc2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc2N1 Clc1ccc(cc1)[*:1] O=C1COc2cc(ccc2N1)C(=O)NCCS[*:1]
CCc1ccc(-c2nnn(Cc3cc(-c4ccc(OC)cc4)no3)n2)cc1 COc1ccc(cc1)[*:1] CCc1ccc(cc1)-c1nnn(Cc2cc(no2)[*:1])n1
CCc1ccc(-c2nnn(Cc3cc(-c4ccc(OC)cc4)no3)n2)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(Cn2nnc(n2)[*:1])on1
O=C(Nc1cnn(CC(F)F)c1)N1CCC(Nc2ccccc2F)CC1 Fc1ccccc1N[*:1] O=C(Nc1cnn(c1)CC(F)F)N1CCC(CC1)[*:1]
O=C(Nc1cnn(CC(F)F)c1)N1CCC(Nc2ccccc2F)CC1 FC(F)C[*:1] O=C(Nc1cnn(c1)[*:1])N1CCC(CC1)Nc1ccccc1F
O=C(Nc1cnn(CC(F)F)c1)N1CCC(Nc2ccccc2F)CC1 FC(F)[*:1] O=C(Nc1cnn(c1)C[*:1])N1CCC(CC1)Nc1ccccc1F
O=C(Nc1cnn(CC(F)F)c1)N1CCC(Nc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(Nc1cnn(c1)CC(F)F)N1CCC(CC1)N[*:1]
COC[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1)c1ccc(C)o1 COc1ccc(cc1)[*:1] COC[C@@H](NC(=O)c1cc(C)n(n1)[*:1])c1ccc(C)o1
COC[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1)c1ccc(C)o1 COC[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)N[C@@H](c1ccc(C)o1)[*:1]
COC[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1)c1ccc(C)o1 Cc1ccc(o1)[*:1] COC[C@@H](NC(=O)c1cc(C)n(n1)-c1ccc(cc1)OC)[*:1]
CCOc1cccc(CNC(=O)c2cc(S(N)(=O)=O)oc2C)c1 CCO[*:1] Cc1oc(cc1C(=O)NCc1cccc(c1)[*:1])S(N)(=O)=O
CCOc1cccc(CNC(=O)c2cc(S(N)(=O)=O)oc2C)c1 NS(=O)(=O)[*:1] CCOc1cccc(c1)CNC(=O)c1cc(oc1C)[*:1]
COc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2C)c1 COc1cccc(c1)[*:1] Cc1ccccc1NC(=O)CSc1nnnn1[*:1]
COc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2C)c1 Cc1ccccc1[*:1] COc1cccc(c1)-n1nnnc1SCC(=O)N[*:1]
O=C(NCc1cccc(OCCN2CCOCC2)c1)c1csnn1 C1CN(CCO1)CC[*:1] O=C(NCc1cccc(c1)O[*:1])c1csnn1
O=C(NCc1cccc(OCCN2CCOCC2)c1)c1csnn1 C1CN(CCO1)[*:1] O=C(NCc1cccc(c1)OCC[*:1])c1csnn1
O=C(NCc1cccc(OCCN2CCOCC2)c1)c1csnn1 O=C(N[*:1])c1csnn1 c1cc(cc(c1)OCCN1CCOCC1)C[*:1]
O=C(NCc1cccc(OCCN2CCOCC2)c1)c1csnn1 c1snnc1[*:1] O=C(NCc1cccc(c1)OCCN1CCOCC1)[*:1]
O=C(NCc1cccc(OCCN2CCOCC2)c1)c1csnn1 C1CN(CCO1)C[*:1] O=C(NCc1cccc(c1)OC[*:1])c1csnn1
NC(=O)CN1C(=O)[C@]2(CCN(C(=O)c3cn[nH]n3)C2)c2ccccc21 c1n[nH]nc1[*:1] NC(=O)CN1C(=O)[C@]2(CCN(C2)C(=O)[*:1])c2ccccc21
NC(=O)CN1C(=O)[C@]2(CCN(C(=O)c3cn[nH]n3)C2)c2ccccc21 NC(=O)[*:1] O=C(c1cn[nH]n1)N1CC[C@@]2(C1)C(=O)N(C[*:1])c1ccccc12
NC(=O)CN1C(=O)[C@]2(CCN(C(=O)c3cn[nH]n3)C2)c2ccccc21 NC(=O)C[*:1] O=C(c1cn[nH]n1)N1CC[C@@]2(C1)C(=O)N(c1ccccc12)[*:1]
COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccncc1 COCC[*:1] CC1Nc2nc3ccccc3n2[C@@H](C=1C(=O)O[*:1])c1ccncc1
COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1[*:1]
COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccncc1 COC[*:1] CC1Nc2nc3ccccc3n2[C@@H](C=1C(=O)OC[*:1])c1ccncc1
COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccncc1 COCCOC(=O)[*:1] CC1Nc2nc3ccccc3n2[C@@H](C=1[*:1])c1ccncc1
O=C(NC[C@@H](O)c1ccsc1)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] O=C(NC[C@@H](O)c1ccsc1)Nc1cnn(c1)[*:1]
O=C(NC[C@@H](O)c1ccsc1)Nc1cnn(C[C@H]2CCCO2)c1 O[C@@H](c1ccsc1)[*:1] O=C(NC[*:1])Nc1cnn(c1)C[C@H]1CCCO1
O=C(NC[C@@H](O)c1ccsc1)Nc1cnn(C[C@H]2CCCO2)c1 c1cc(cs1)[*:1] O=C(NC[C@@H](O)[*:1])Nc1cnn(c1)C[C@H]1CCCO1
O=C(NC[C@@H](O)c1ccsc1)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] O=C(NC[C@@H](O)c1ccsc1)Nc1cnn(c1)C[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1 COc1ccccc1[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)N1CCCCC[C@@H]1c1cccn1C)[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1 Cn1cccc1[*:1] COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)N1CCCCC[C@H]1[*:1]
O=C(NCc1ccc(O)cc1)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 Oc1ccc(cc1)C[*:1] O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N[*:1]
O=C(NCc1ccc(O)cc1)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] O=C(NCc1ccc(O)cc1)N[C@H]1CCO[C@@H]1[*:1]
O=C(NCc1ccc(O)cc1)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 Oc1ccc(cc1)[*:1] O=C(NC[*:1])N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C[C@@H]1Sc2ccccc2NC1=O COc1ccc(Cl)cc1[*:1] CN(CC(=O)N[*:1])C(=O)C[C@@H]1Sc2ccccc2NC1=O
COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CCC2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)[C@H]1c2cc(OC)c(cc2CCN1C(=O)CC[*:1])OC
COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CCC2CCCC2)cc1 C1CCC(C1)C[*:1] COc1ccc(cc1)[C@H]1c2cc(OC)c(cc2CCN1C(=O)C[*:1])OC
COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CCC2CCCC2)cc1 C1CCC(C1)CC[*:1] COc1ccc(cc1)[C@H]1c2cc(OC)c(cc2CCN1C(=O)[*:1])OC
COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CCC2CCCC2)cc1 COc1ccc(cc1)[*:1] COc1cc2CCN(C(=O)CCC3CCCC3)[C@H](c2cc1OC)[*:1]
COc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C(C)C)c(OC)c1 CC(C)[*:1] COc1ccc(c(c1)OC)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccc(Cl)cc1
COc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C(C)C)c(OC)c1 Clc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1c2c(n[nH]c2C(=O)N1C(C)C)[*:1]
Cc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)Nc2cccc(c2)NC(=O)N[*:1])c(=O)[nH]1
Cc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(=O)[nH]1 Cc1ccc(c(=O)[nH]1)[*:1] O=C(Nc1ccccc1)Nc1cccc(c1)NC(=O)[*:1]
Cc1c(C(=O)N(C)[C@@H](C)c2ccccc2Cl)cnn1C(C)C Clc1ccccc1[*:1] Cc1c(cnn1C(C)C)C(=O)N(C)[C@@H](C)[*:1]
Cc1c(C(=O)N(C)[C@@H](C)c2ccccc2Cl)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N(C)[C@@H](C)c1ccccc1Cl
O=C(Nc1cc(Cl)cc(Cl)c1)C(=S)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)C(=S)N[*:1]
CCC(=O)c1ccc(OCCCCBr)cc1 BrCCCC[*:1] CCC(=O)c1ccc(cc1)O[*:1]
CCC(=O)c1ccc(OCCCCBr)cc1 CCC(=O)[*:1] BrCCCCOc1ccc(cc1)[*:1]
CCC(=O)c1ccc(OCCCCBr)cc1 BrCCC[*:1] CCC(=O)c1ccc(cc1)OC[*:1]
CCC(=O)c1ccc(OCCCCBr)cc1 BrCC[*:1] CCC(=O)c1ccc(cc1)OCC[*:1]
Cc1cccc(C)c1NC(=O)CN[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CN[C@H](C)[*:1]
Cc1nc(Br)ccc1NC(=O)CNC(=O)CC1CCCC1 C1CCC(C1)[*:1] Cc1nc(Br)ccc1NC(=O)CNC(=O)C[*:1]
Cc1nc(Br)ccc1NC(=O)CNC(=O)CC1CCCC1 C1CCC(C1)C[*:1] Cc1nc(Br)ccc1NC(=O)CNC(=O)[*:1]
C[C@H]1CCCCN1C(=O)Cn1c(CCCNC(=O)c2cccnc2)nc2ccccc21 O=C(N[*:1])c1cccnc1 C[C@H]1CCCCN1C(=O)Cn1c(CCC[*:1])nc2ccccc21
C[C@H]1CCCCN1C(=O)Cn1c(CCCNC(=O)c2cccnc2)nc2ccccc21 O=C(NC[*:1])c1cccnc1 C[C@H]1CCCCN1C(=O)Cn1c(CC[*:1])nc2ccccc21
C[C@H]1CCCCN1C(=O)Cn1c(CCCNC(=O)c2cccnc2)nc2ccccc21 c1cncc(c1)[*:1] C[C@H]1CCCCN1C(=O)Cn1c(CCCNC(=O)[*:1])nc2ccccc21
C[C@H](Oc1ccc(OC(=O)[C@@H](C)N2CCc3ccccc3C2)cc1)C(N)=O C[C@H](C(N)=O)[*:1] C[C@H](C(=O)Oc1ccc(cc1)O[*:1])N1CCc2ccccc2C1
C[C@H](Oc1ccc(OC(=O)[C@@H](C)N2CCc3ccccc3C2)cc1)C(N)=O C[C@H](O[*:1])C(N)=O C[C@H](C(=O)Oc1ccc(cc1)[*:1])N1CCc2ccccc2C1
C[C@H](Oc1ccc(OC(=O)[C@@H](C)N2CCc3ccccc3C2)cc1)C(N)=O NC(=O)[*:1] C[C@H](Oc1ccc(cc1)OC(=O)[C@@H](C)N1CCc2ccccc2C1)[*:1]
Fc1ccc(-c2nc3ncnn3cc2CC[NH+]2CCOCC2)cc1 Fc1ccc(cc1)[*:1] c1nc2nc(c(cn2n1)CC[NH+]1CCOCC1)[*:1]
COC(=O)[C@H]1CCCCN1Cc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] COC(=O)[C@H]1CCCCN1Cc1ccc(cc1)[*:1]
COC(=O)[C@H]1CCCCN1Cc1ccc(-n2cncn2)cc1 COC(=O)[*:1] c1ncn(n1)-c1ccc(cc1)CN1CCCC[C@@H]1[*:1]
COc1ccc(C[C@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1OC Cn1ccc(n1)[*:1] COc1ccc(cc1OC)C[C@H](C)[NH2+][C@H]1CCCN(C1=O)[*:1]
NC(=O)c1cn[nH]c1NC(=O)c1ccc(Oc2ccccc2)cc1 NC(=O)[*:1] O=C(Nc1[nH]ncc1[*:1])c1ccc(cc1)Oc1ccccc1
NC(=O)c1cn[nH]c1NC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)c1cn[nH]c1NC(=O)c1ccc(cc1)O[*:1]
NC(=O)c1cn[nH]c1NC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] NC(=O)c1cn[nH]c1NC(=O)c1ccc(cc1)[*:1]
CCc1nsc(Oc2cccc(C(=O)NC[C@H](C)O)c2)n1 C[C@H](O)[*:1] CCc1nsc(n1)Oc1cccc(c1)C(=O)NC[*:1]
CCc1nsc(Oc2cccc(C(=O)NC[C@H](C)O)c2)n1 C[C@H](O)C[*:1] CCc1nsc(n1)Oc1cccc(c1)C(=O)N[*:1]
CCc1nsc(Oc2cccc(C(=O)NC[C@H](C)O)c2)n1 CCc1nsc(n1)[*:1] C[C@H](O)CNC(=O)c1cccc(c1)O[*:1]
CCc1nsc(Oc2cccc(C(=O)NC[C@H](C)O)c2)n1 C[C@H](O)CNC(=O)[*:1] CCc1nsc(n1)Oc1cccc(c1)[*:1]
O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](C1)[*:1]
O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccccc2)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(NC[*:1])N1CCO[C@H](C1)c1ccccc1
O=C(c1ccncc1)N1CCSc2ccccc21 c1cc(ccn1)[*:1] O=C(N1CCSc2ccccc21)[*:1]
CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cccc4ncccc34)nc2)C1 CC(C)CC(=O)[*:1] O=C(c1ccc(nc1)-c1cccc2ncccc12)N1CCC[C@@H](C1)[*:1]
CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cccc4ncccc34)nc2)C1 c1cc(c2cccnc2c1)[*:1] CC(C)CC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(nc1)[*:1]
CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cccc4ncccc34)nc2)C1 CC(C)C[*:1] O=C(c1ccc(nc1)-c1cccc2ncccc12)N1CCC[C@@H](C1)C(=O)[*:1]
CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cccc4ncccc34)nc2)C1 CC(C)[*:1] O=C(C[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(nc1)-c1cccc2ncccc12
Cc1cc(/C=C(/C(=O)c2ccccc2)[N+](=O)[O-])n(C)n1 c1ccc(cc1)[*:1] Cc1cc(/C=C(/C(=O)[*:1])[N+](=O)[O-])n(C)n1
Cc1cc(/C=C(/C(=O)c2ccccc2)[N+](=O)[O-])n(C)n1 O=[N+]([O-])[*:1] Cc1cc(C=C(C(=O)c2ccccc2)[*:1])n(C)n1
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C1 CC(C)(C)[*:1] O=C(N[C@@H]1CCN(C1)C(=O)c1ccccc1)O[*:1]
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)[*:1]
Cc1ccccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] Cc1ccccc1N1C(=O)CN(C[C@@]1(C)[*:1])S(C)(=O)=O
Cc1ccccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1ccccc1N1C(=O)CN(C[C@]1(C)C(=O)N[*:1])S(C)(=O)=O
Cc1ccccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC1CCCC1 Cc1ccccc1[*:1] C[C@@]1(CN(CC(=O)N1[*:1])S(C)(=O)=O)C(=O)NC1CCCC1
Cc1ccsc1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 Cc1ccsc1[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[*:1]
Cc1ccsc1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] Cc1ccsc1CNC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1ccsc1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 Cc1ccsc1C[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[*:1]
CC[C@H](NC(=O)NCC1([O-])CCC1)c1c(C)nn(C)c1C [O-]C1(CCC1)[*:1] CC[C@H](NC(=O)NC[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)NCC1([O-])CCC1)c1c(C)nn(C)c1C [O-]C1(CCC1)C[*:1] CC[C@H](NC(=O)N[*:1])c1c(C)nn(C)c1C
Cn1cc([C@H](O)CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)[C@H](O)CNc1nc2c(cnn2[*:1])c(=O)[nH]1
Cn1cc([C@H](O)CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cn1 Cn1cc(cn1)[*:1] O=c1[nH]c(nc2c1cnn2-c1ccccc1)NC[C@@H](O)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cnccn1 c1cnc(cn1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[*:1]
CCCCOc1cccc([C@H]2CCC[NH2+]2)c1 CCC[*:1] c1cc(cc(c1)[C@H]1CCC[NH2+]1)OC[*:1]
CCCCOc1cccc([C@H]2CCC[NH2+]2)c1 CCCC[*:1] c1cc(cc(c1)[C@H]1CCC[NH2+]1)O[*:1]
CCCCOc1cccc([C@H]2CCC[NH2+]2)c1 CCCCO[*:1] c1cc(cc(c1)[*:1])[C@H]1CCC[NH2+]1
CC(=O)NCc1ccc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)s1 CC(=O)N[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1ccc(C[*:1])s1
CC(=O)NCc1ccc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)s1 CC(=O)NC[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1ccc(s1)[*:1]
CCc1ccc(C(=O)N2CCc3cc(C)ccc32)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])C(=O)N1CCc2cc(C)ccc21
COc1ccc(CSc2nnc(-c3ccccc3C)n2N)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)CSc1nnc(n1N)[*:1]
CC(=O)Nc1nc(C(=O)N2CCCc3c(C)cc(C)cc32)cs1 CC(=O)N[*:1] Cc1cc(C)c2CCCN(C(=O)c3csc(n3)[*:1])c2c1
CN(C)c1cccc(C(=O)OCc2ccc(C(N)=O)cc2)c1 NC(=O)[*:1] CN(C)c1cccc(c1)C(=O)OCc1ccc(cc1)[*:1]
CN(C)c1cccc(C(=O)OCc2ccc(C(N)=O)cc2)c1 CN(C)[*:1] NC(=O)c1ccc(cc1)COC(=O)c1cccc(c1)[*:1]
O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])N1CCOC[C@@H]1C1CC1
O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(Nc1ccc2oc(nc2c1)C1CC1)N1CCOC[C@H]1[*:1]
N/C(=N/O)c1ccc(OC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 N/C(=N/O)[*:1] c1cc(ccc1OC[C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
C[C@H]1Cc2ccccc2N1CCS(=O)(=O)CCC(N)=O NC(=O)C[*:1] C[C@H]1Cc2ccccc2N1CCS(=O)(=O)C[*:1]
C[C@H]1Cc2ccccc2N1CCS(=O)(=O)CCC(N)=O NC(=O)CC[*:1] C[C@H]1Cc2ccccc2N1CCS(=O)(=O)[*:1]
C[C@H]1Cc2ccccc2N1CCS(=O)(=O)CCC(N)=O NC(=O)[*:1] C[C@H]1Cc2ccccc2N1CCS(=O)(=O)CC[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NCc1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1NCc1noc(C[*:1])n1)[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NCc1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1ccc(c(C)c1NCc1noc(n1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NCc1noc(Cc2ccccc2)n1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NCc1noc(Cc2ccccc2)n1)[*:1]
C[NH+]1CCN(CN2C(=O)[C@](O)(CC(=O)c3ccc4c(c3)OCO4)c3ccccc32)CC1 c1cc2OCOc2cc1[*:1] C[NH+]1CCN(CC1)CN1C(=O)[C@](O)(CC(=O)[*:1])c2ccccc21
C[C@@H](c1ccccc1)n1c([O-])nnc1SCCS(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](c1ccccc1)n1c([O-])nnc1SCCS(=O)(=O)[*:1]
C[C@@H](c1ccccc1)n1c([O-])nnc1SCCS(=O)(=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H](n1c([O-])nnc1SCCS(=O)(=O)c1ccc(F)cc1)[*:1]
C[C@@H](c1ccccc1)n1c([O-])nnc1SCCS(=O)(=O)c1ccc(F)cc1 C[C@@H](c1ccccc1)[*:1] O=S(=O)(CCSc1nnc([O-])n1[*:1])c1ccc(F)cc1
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] NC(=O)COc1ccc(/C=N/NC(=O)[*:1])cc1
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 NC(=O)[*:1] O=C(N/N=C/c1ccc(cc1)OC[*:1])c1ccc(Br)cc1
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 NC(=O)C[*:1] O=C(N/N=C/c1ccc(cc1)O[*:1])c1ccc(Br)cc1
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 NC(=O)CO[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])c1ccc(Br)cc1
Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 Cc1nn(C)cc1[*:1] CN(C[*:1])C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccc(Cl)s1
Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 FC(F)(F)[*:1] Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(cc(n2n1)[*:1])-c1ccc(Cl)s1
Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 Cc1nn(C)cc1C[*:1] CN(C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccc(Cl)s1)[*:1]
Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 Clc1ccc(s1)[*:1] Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
C[C@H]1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H]1CCN(C(=O)c2cnc(s2)[C@@H]2CCCO2)[C@H]1[*:1]
C[C@H]1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)[C@@H]1c1cccc(F)c1 C1CO[C@@H](C1)[*:1] C[C@H]1CCN(C(=O)c2cnc(s2)[*:1])[C@@H]1c1cccc(F)c1
C#CCNC(=O)NCc1ccccc1COCC C#CC[*:1] CCOCc1ccccc1CNC(=O)N[*:1]
C#CCNC(=O)NCc1ccccc1COCC CCOC[*:1] C#CCNC(=O)NCc1ccccc1[*:1]
C#CCNC(=O)NCc1ccccc1COCC CCO[*:1] C#CCNC(=O)NCc1ccccc1C[*:1]
CNC(=S)N(Cc1ccco1)C[C@@H]1CC=CCC1 c1coc(c1)C[*:1] CNC(=S)N(C[C@@H]1CC=CCC1)[*:1]
CNC(=S)N(Cc1ccco1)C[C@@H]1CC=CCC1 c1coc(c1)[*:1] CNC(=S)N(C[C@@H]1CC=CCC1)C[*:1]
CC(C)[C@@H](C(=O)O[C@H](C)c1ccccn1)n1nnc(-c2ccccc2)n1 C[C@H](c1ccccn1)[*:1] CC(C)[C@@H](C(=O)O[*:1])n1nnc(n1)-c1ccccc1
CC(C)[C@@H](C(=O)O[C@H](C)c1ccccn1)n1nnc(-c2ccccc2)n1 c1ccc(nc1)[*:1] CC(C)[C@@H](C(=O)O[C@H](C)[*:1])n1nnc(n1)-c1ccccc1
CC(C)[C@@H](C(=O)O[C@H](C)c1ccccn1)n1nnc(-c2ccccc2)n1 CC(C)[*:1] C[C@@H](OC(=O)[C@@H](n1nnc(n1)-c1ccccc1)[*:1])c1ccccn1
CC(C)[C@@H](C(=O)O[C@H](C)c1ccccn1)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)O[C@H](C)c1ccccn1)n1nnc(n1)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Br O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1Br)C(=O)NC(=S)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Br Cc1ccc(cc1Br)[*:1] O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
O=S(=O)(c1cnn(C(F)F)c1)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=S(=O)(c1cnn(c1)C(F)F)N1CCN(CC1)[*:1]
O=S(=O)(c1cnn(C(F)F)c1)N1CCN(c2cccc(Cl)c2)CC1 FC(F)n1cc(cn1)[*:1] O=S(=O)(N1CCN(CC1)c1cccc(Cl)c1)[*:1]
O=S(=O)(c1cnn(C(F)F)c1)N1CCN(c2cccc(Cl)c2)CC1 FC(F)[*:1] O=S(=O)(c1cnn(c1)[*:1])N1CCN(CC1)c1cccc(Cl)c1
CC(C)[C@@H](C(=O)N1CCN(C(=O)C2CCC2)CC1)[NH+]1CCCCC1 C1CC(C1)[*:1] CC(C)[C@@H](C(=O)N1CCN(CC1)C(=O)[*:1])[NH+]1CCCCC1
CC(C)[C@@H](C(=O)N1CCN(C(=O)C2CCC2)CC1)[NH+]1CCCCC1 CC(C)[*:1] O=C(C1CCC1)N1CCN(CC1)C(=O)[C@@H]([NH+]1CCCCC1)[*:1]
CSc1ccc(NC(=O)Nc2ccccc2C(N)=O)cc1 NC(=O)[*:1] CSc1ccc(cc1)NC(=O)Nc1ccccc1[*:1]
Cc1ncccc1NC(=O)CSCc1ccncc1 c1cc(ccn1)[*:1] Cc1ncccc1NC(=O)CSC[*:1]
CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)n1c(C(=O)OC)cc2ccsc21 COc1ccc(Cl)cc1[*:1] CC[C@H](C(=O)N[*:1])n1c(cc2ccsc21)C(=O)OC
CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)n1c(C(=O)OC)cc2ccsc21 COC(=O)[*:1] CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)n1c(cc2ccsc21)[*:1]
Cc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)s1 Fc1ccc(cc1)[*:1] Cc1ccc(s1)-c1csc(n1)NC(=O)CNC(=O)[*:1]
Cc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(F)cc3)n2)s1 Cc1ccc(s1)[*:1] O=C(CNC(=O)c1ccc(F)cc1)Nc1nc(cs1)[*:1]
C[C@H]1C[C@@H]1NC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] C[C@H]1C[C@H]1[*:1] O=C(N[C@@H]1CCCCC[C@@H]1C(=O)[O-])N[*:1]
C[C@H]1C[C@@H]1NC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H]1C[C@@H]1NC(=O)N[C@@H]1CCCCC[C@H]1[*:1]
O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(Cl)o1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCCN(C1=O)[*:1])c1ccc(Cl)o1
O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(Cl)o1 Clc1ccc(o1)[*:1] O=C1[C@H](CCCN1c1ccccc1)NC(=O)[*:1]
COc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)sc2=S)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)N[*:1]
COc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)sc2=S)cc1 COc1ccc(cc1)[*:1] Nc1c(sc(=S)n1[*:1])C(=O)NC1CCCCC1
COc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 COc1ccc(cc1)[*:1] CC(=NNC(=O)COc1ccc(Cl)cc1Cl)[*:1]
COc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)/C(C)=N/NC(=O)CO[*:1]
O=C(N1CCc2cc(F)ccc2C1)C1(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(N1CCc2cc(F)ccc2C1)C1(CC1)[*:1]
O=C([O-])CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 O=C([O-])C[*:1] O=C(CC[*:1])Nc1ccc(cc1)[N+](=O)[O-]
O=C([O-])CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C([O-])CCCC(=O)Nc1ccc(cc1)[*:1]
O=C([O-])CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 O=C([O-])CC[*:1] O=C(C[*:1])Nc1ccc(cc1)[N+](=O)[O-]
O=C([O-])CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 O=C([O-])[*:1] O=C(CCC[*:1])Nc1ccc(cc1)[N+](=O)[O-]
O=C([O-])CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 O=C([O-])CCC[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1nnc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)o1 Cc1nnc(o1)[*:1] Clc1cccc(c1)-n1c(nnc1N1CCCC1)SC[*:1]
Cc1nnc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)o1 C1CCN(C1)[*:1] Cc1nnc(CSc2nnc(n2-c2cccc(Cl)c2)[*:1])o1
Cc1nnc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] Cc1nnc(CSc2nnc(N3CCCC3)n2[*:1])o1
Cc1nnc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)o1 Cc1nnc(C[*:1])o1 Clc1cccc(c1)-n1c(nnc1N1CCCC1)S[*:1]
Cc1nnc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)o1 Cc1nnc(CS[*:1])o1 Clc1cccc(c1)-n1c(nnc1[*:1])N1CCCC1
Cc1ccc(NC(=O)CCn2cncn2)c(C)c1 c1ncn(n1)[*:1] Cc1ccc(NC(=O)CC[*:1])c(C)c1
Cc1ccc(NC(=O)CCn2cncn2)c(C)c1 c1ncn(C[*:1])n1 Cc1ccc(NC(=O)C[*:1])c(C)c1
Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCC(=O)Nc2ccc(F)c(F)c2)CC1 Cc1cccc(C)c1[*:1] O=C(CC[NH+]1CCN(CC1)CC(=O)N[*:1])Nc1ccc(F)c(F)c1
Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCC(=O)Nc2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCC(=O)N[*:1])CC1
NC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1N NC(=O)[*:1] Nc1c(nnn1-c1ccc(F)c(Cl)c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](C1)NS(=O)(=O)Cc1ccc(F)cc1
CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)NS(=O)(=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)NS(=O)(=O)C[*:1]
CC[C@H](CC(=O)Nc1cccc(-n2cnnc2)c1)c1ccc(C)cc1 c1nncn1[*:1] CC[C@H](CC(=O)Nc1cccc(c1)[*:1])c1ccc(C)cc1
CC[C@H](CC(=O)Nc1cccc(-n2cnnc2)c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](CC(=O)Nc1cccc(c1)-n1cnnc1)[*:1]
Nc1c(NNC(=O)c2ccccc2)ncnc1Sc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1ccccc1
Nc1c(NNC(=O)c2ccccc2)ncnc1Sc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nc1c(ncnc1S[*:1])NNC(=O)c1ccccc1
Nc1c(NNC(=O)c2ccccc2)ncnc1Sc1ccc(Cl)cc1 c1ccc(cc1)[*:1] Nc1c(ncnc1Sc1ccc(Cl)cc1)NNC(=O)[*:1]
NC(=O)c1ccccc1NC(=O)Cn1cnc2ccccc2c1=O NC(=O)[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1[*:1]
Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@](C)(C(N)=O)C1 NC(=O)[*:1] Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@](C)(C1)[*:1]
Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@](C)(C(N)=O)C1 Cc1n[nH]c(C)c1[*:1] C[C@]1(CN(CCO1)C(=O)CC[*:1])C(N)=O
NNC(=O)c1cc(Cl)ccc1NCCCOc1ccccc1 NNC(=O)[*:1] Clc1ccc(NCCCOc2ccccc2)c(c1)[*:1]
NNC(=O)c1cc(Cl)ccc1NCCCOc1ccccc1 c1ccc(cc1)O[*:1] NNC(=O)c1cc(Cl)ccc1NCCC[*:1]
NNC(=O)c1cc(Cl)ccc1NCCCOc1ccccc1 c1ccc(cc1)[*:1] NNC(=O)c1cc(Cl)ccc1NCCCO[*:1]
C[C@@H](c1ccncc1)[C@@H]([NH3+])c1ccc(F)cc1Br c1cc(ccn1)[*:1] C[C@@H]([C@@H]([NH3+])c1ccc(F)cc1Br)[*:1]
O=C(NCCc1nc2ccccc2[nH]1)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C(NCCc1nc2ccccc2[nH]1)[*:1]
O=C(CCOc1ccccc1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 c1ccc(cc1)[*:1] O=C(CCO[*:1])N(Cc1cccnc1)c1nc2cc3OCOc3cc2s1
O=C(CCOc1ccccc1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 c1ccc(cc1)OCC[*:1] O=C(N(Cc1cccnc1)c1nc2cc3OCOc3cc2s1)[*:1]
O=C(CCOc1ccccc1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 c1cncc(c1)C[*:1] O=C(CCOc1ccccc1)N(c1nc2cc3OCOc3cc2s1)[*:1]
O=C(CCOc1ccccc1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 c1ccc(cc1)O[*:1] O=C(CC[*:1])N(Cc1cccnc1)c1nc2cc3OCOc3cc2s1
O=C(CCOc1ccccc1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 c1cncc(c1)[*:1] O=C(CCOc1ccccc1)N(C[*:1])c1nc2cc3OCOc3cc2s1
O=C(CCOc1ccccc1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 c1ccc(cc1)OC[*:1] O=C(C[*:1])N(Cc1cccnc1)c1nc2cc3OCOc3cc2s1
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)c(OC)c1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(NC(=O)c2cc(cs2)[*:1])c(c1)OC
Cc1nc(SCC(=O)NCc2ccc(N3CCCC3=O)cc2)c2c(C)c(C)sc2n1 O=C1CCCN1[*:1] Cc1nc(SCC(=O)NCc2ccc(cc2)[*:1])c2c(C)c(C)sc2n1
C[C@@H]1CN(CCOCC[NH3+])CCO1 [NH3+]CC[*:1] C[C@@H]1CN(CCO1)CCO[*:1]
C[C@@H]1CN(CCOCC[NH3+])CCO1 [NH3+]CCO[*:1] C[C@@H]1CN(CCO1)CC[*:1]
COC(=O)c1cc(C)ccc1NC(=O)[C@H](C)Oc1ccc(F)cc1Br COC(=O)[*:1] Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)c(c1)[*:1]
COC(=O)c1cc(C)ccc1NC(=O)[C@H](C)Oc1ccc(F)cc1Br Fc1ccc(c(Br)c1)[*:1] COC(=O)c1cc(C)ccc1NC(=O)[C@H](C)O[*:1]
Cc1noc(COCC(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)n1 Cc1noc(C[*:1])n1 C[C@H](c1ccc(Cl)cc1)N(C(=O)CO[*:1])C1CC1
Cc1noc(COCC(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)n1 C1CC1[*:1] Cc1noc(COCC(=O)N([C@H](C)c2ccc(Cl)cc2)[*:1])n1
Cc1noc(COCC(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1noc(COCC(=O)N(C2CC2)[C@H](C)[*:1])n1
Cc1noc(COCC(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)n1 Cc1noc(CO[*:1])n1 C[C@H](c1ccc(Cl)cc1)N(C(=O)C[*:1])C1CC1
Cc1noc(COCC(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)n1 Cc1noc(n1)[*:1] C[C@H](c1ccc(Cl)cc1)N(C(=O)COC[*:1])C1CC1
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1C Clc1ccc(cc1)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(C2=O)[*:1])c(C)n1C
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1C Cc1cc(c(C)n1C)[*:1] C[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc(Cl)cc1
C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 CC=C[*:1] O=C(C=C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] C/C=C/C=C/C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 C/C=C/C=C[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)[*:1]
CC(C)(C)[C@@]1([C@@H]2CCOC3(CCCCC3)C2)CCC[NH2+]1 CC(C)(C)[*:1] C1CCC2(CC1)C[C@@H](CCO2)[C@]1(CCC[NH2+]1)[*:1]
Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1ccccc1F Cc1cccc(C)c1[*:1] O=C(CO[*:1])NNC(=S)NC(=O)c1ccccc1F
Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1ccccc1F Fc1ccccc1[*:1] Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)[*:1]
Cn1c(=O)c(C(=O)Nc2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] Cn1c(=O)c(nc2ccccc21)C(=O)N[*:1]
CCNC(=O)c1ccc(CNC(=O)c2ccc3ccccc3c2O)cc1 CCNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc2ccccc2c1O
Cc1nc(-c2cc(C)c(C)[nH]c2=O)n([C@H]2CCS(=O)(=O)C2)n1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1nc(-c2cc(C)c(C)[nH]c2=O)n(n1)[*:1]
NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccn1 NC(=O)[*:1] O=C(Nc1ccccn1)N[C@H]1CCCC[C@@H]1[*:1]
NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccn1 c1ccc(nc1)[*:1] NC(=O)[C@H]1CCCC[C@@H]1NC(=O)N[*:1]
CCOc1ccc(Br)cc1C(=O)c1ccccc1SC CCO[*:1] CSc1ccccc1C(=O)c1cc(Br)ccc1[*:1]
C[C@@H](NC(=O)CCc1csc(NC(=O)c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCc1csc(n1)NC(=O)c1ccccc1)[*:1]
C[C@@H](NC(=O)CCc1csc(NC(=O)c2ccccc2)n1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(CCc1csc(n1)NC(=O)c1ccccc1)N[*:1]
C[C@@H](NC(=O)CCc1csc(NC(=O)c2ccccc2)n1)c1ccccc1 O=C(N[*:1])c1ccccc1 C[C@@H](NC(=O)CCc1csc(n1)[*:1])c1ccccc1
C[C@@H](NC(=O)CCc1csc(NC(=O)c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCc1csc(n1)NC(=O)[*:1])c1ccccc1
CCc1ccc(-c2csc(NC(=O)CCNC(=O)C(C)(C)C)n2)cc1 CC(C)(C)C(=O)NC[*:1] CCc1ccc(cc1)-c1csc(n1)NC(=O)C[*:1]
CCc1ccc(-c2csc(NC(=O)CCNC(=O)C(C)(C)C)n2)cc1 CC(C)(C)C(=O)N[*:1] CCc1ccc(cc1)-c1csc(n1)NC(=O)CC[*:1]
CCc1ccc(-c2csc(NC(=O)CCNC(=O)C(C)(C)C)n2)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)-c1csc(n1)NC(=O)CCNC(=O)[*:1]
CCc1ccc(-c2csc(NC(=O)CCNC(=O)C(C)(C)C)n2)cc1 CCc1ccc(cc1)[*:1] CC(C)(C)C(=O)NCCC(=O)Nc1nc(cs1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 FC(F)O[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)C(=O)c1ccccc1OC(F)F)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 FC(F)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)c1ccccc1O[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 COC(=O)C(C)(C)[*:1] O=C(c1ccccc1OC(F)F)N1CCC[C@H](C1)[*:1]
C=C(C)Cn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 Clc1cccc(c1)[*:1] C=C(C)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
C=C(C)Cn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 C=C(C)[*:1] O=C1C[C@@H](CN1c1cccc(Cl)c1)c1nc2ccccc2n1C[*:1]
C=C(C)Cn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 C=C(C)C[*:1] O=C1C[C@@H](CN1c1cccc(Cl)c1)c1nc2ccccc2n1[*:1]
COc1ccc(O)c(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 Cc1cccc(c1C)[*:1] COc1ccc(O)c(c1)C(=O)N1CCN(CC1)[*:1]
CN(Cc1ccccc1F)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 Fc1ccccc1C[*:1] CN(C(=O)/C=C/c1cn(nc1-c1cccnc1)-c1ccccc1)[*:1]
CN(Cc1ccccc1F)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] CN(Cc1ccccc1F)C(=O)/C=C/c1cn(nc1[*:1])-c1ccccc1
CN(Cc1ccccc1F)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] CN(Cc1ccccc1F)C(=O)/C=C/c1cn(nc1-c1cccnc1)[*:1]
CN(Cc1ccccc1F)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)/C=C/c1cn(nc1-c1cccnc1)-c1ccccc1
Cc1nnsc1C(=O)NNS(=O)(=O)c1c(C)noc1C Cc1nnsc1[*:1] Cc1noc(C)c1S(=O)(=O)NNC(=O)[*:1]
Cc1ccc(S(=O)(=O)C[C@@H](O)COc2ccc(F)cc2Cl)c(C)c1 Fc1ccc(c(Cl)c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)C[C@@H](O)CO[*:1]
Cc1ccc(S(=O)(=O)C[C@@H](O)COc2ccc(F)cc2Cl)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=S(=O)(C[C@@H](O)COc1ccc(F)cc1Cl)[*:1]
CCCNc1ccc([N+](=O)[O-])c(Cc2[nH+]ccn2C)n1 CCC[*:1] Cn1cc[nH+]c1Cc1nc(ccc1[N+](=O)[O-])N[*:1]
CCCNc1ccc([N+](=O)[O-])c(Cc2[nH+]ccn2C)n1 O=[N+]([O-])[*:1] CCCNc1ccc(c(Cc2[nH+]ccn2C)n1)[*:1]
CCCNc1ccc([N+](=O)[O-])c(Cc2[nH+]ccn2C)n1 CCCN[*:1] Cn1cc[nH+]c1Cc1nc(ccc1[N+](=O)[O-])[*:1]
C[C@H](C(=O)[O-])[C@@H](C)[C@H](O)c1c[nH+]cn1C1CC1 C[C@H](C(=O)[O-])[*:1] C[C@@H]([C@H](O)c1c[nH+]cn1C1CC1)[*:1]
C[C@H](C(=O)[O-])[C@@H](C)[C@H](O)c1c[nH+]cn1C1CC1 C1CC1[*:1] C[C@H](C(=O)[O-])[C@@H](C)[C@H](O)c1c[nH+]cn1[*:1]
C[C@H](C(=O)[O-])[C@@H](C)[C@H](O)c1c[nH+]cn1C1CC1 O=C([O-])[*:1] C[C@H]([C@@H](C)[C@H](O)c1c[nH+]cn1C1CC1)[*:1]
CCc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc4nccnc34)C2)cc1 CCc1ccc(cc1)[*:1] CS(=O)(=O)N1N=C(C[C@H]1c1cccc2nccnc12)[*:1]
CC[C@H](NC1=[NH+][C@@H](C(C)C)CS1)c1nccs1 CC(C)[*:1] CC[C@H](NC1=[NH+][C@@H](CS1)[*:1])c1nccs1
CC[C@H](NC1=[NH+][C@@H](C(C)C)CS1)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC1=[NH+][C@H](CS1)C(C)C)[*:1]
CCc1cc(NC(=O)C(=O)NCC(C)(C)c2cccc(Cl)c2)n(C)n1 CCc1cc(n(C)n1)[*:1] CC(C)(CNC(=O)C(=O)N[*:1])c1cccc(Cl)c1
CCc1cc(NC(=O)C(=O)NCC(C)(C)c2cccc(Cl)c2)n(C)n1 Clc1cccc(c1)[*:1] CCc1cc(NC(=O)C(=O)NCC(C)(C)[*:1])n(C)n1
Cc1cccc(CNC(=O)NCc2ncn(C)n2)c1 Cn1cnc(n1)[*:1] Cc1cccc(c1)CNC(=O)NC[*:1]
Cc1cc2ccccc2n1CC(=O)Nc1ccn(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc2ccccc2n1CC(=O)Nc1ccn(n1)[*:1]
Cc1cc2ccccc2n1CC(=O)Nc1ccn(Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc2ccccc2n1CC(=O)Nc1ccn(C[*:1])n1
CCNC(=O)c1ccc(NC(=O)c2ccc([S@](C)=O)cc2)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)c1ccc(cc1)[S@](C)=O)[*:1]
COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(C)C COC[C@@H](C(C)C)[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)N[*:1]
COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(C)C O=C([O-])[*:1] COC[C@@H](NS(=O)(=O)c1ccc(cc1F)[*:1])C(C)C
COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(C)C COC[*:1] CC(C)[C@H](NS(=O)(=O)c1ccc(cc1F)C(=O)[O-])[*:1]
COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(C)C CC(C)[*:1] COC[C@@H](NS(=O)(=O)c1ccc(cc1F)C(=O)[O-])[*:1]
CO[C@@]1(C)C[C@H](N(C)C(=O)CCS(=O)(=O)C2CCCC2)C1(C)C C1CCC(C1)[*:1] CO[C@@]1(C)C[C@H](N(C)C(=O)CCS(=O)(=O)[*:1])C1(C)C
Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)NCCN1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1CCN(CC1)C(=O)O[*:1]
C[C@@H](Sc1cccc(C(F)(F)F)c1)[C@H](C)C(=O)NN NNC(=O)[*:1] C[C@@H](Sc1cccc(c1)C(F)(F)F)[C@H](C)[*:1]
C[C@@H](Sc1cccc(C(F)(F)F)c1)[C@H](C)C(=O)NN FC(F)(F)[*:1] C[C@@H](Sc1cccc(c1)[*:1])[C@H](C)C(=O)NN
C=CCNC(=O)/C(C#N)=C\c1cccs1 C=CC[*:1] N#C/C(=C/c1cccs1)C(=O)N[*:1]
C=CCNC(=O)/C(C#N)=C\c1cccs1 c1csc(c1)[*:1] C=CCNC(=O)C(C#N)=C[*:1]
CCCc1cc(NC(=O)N2CCC[C@H](C)[C@H]2CCC)n(C)n1 CCC[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)N2CCC[C@H](C)[C@H]2CCC)n(C)n1 CCC[*:1] CCCc1cc(NC(=O)N2CCC[C@H](C)[C@@H]2[*:1])n(C)n1
CCCc1nn(Cc2nn(-c3ccccc3)c3c2CCC3)c(=O)o1 c1ccc(cc1)[*:1] CCCc1nn(Cc2nn(c3CCCc23)[*:1])c(=O)o1
CCCc1nn(Cc2nn(-c3ccccc3)c3c2CCC3)c(=O)o1 CCC[*:1] O=c1oc(nn1Cc1nn(-c2ccccc2)c2CCCc12)[*:1]
O=C(CCSc1ccccn1)Oc1ccc(Br)cc1 c1ccc(nc1)[*:1] O=C(CCS[*:1])Oc1ccc(Br)cc1
CC(C)(C)c1ccc(/C(=N\O)N[C@H](O)C(Cl)(Cl)Cl)cc1 CC(C)(C)[*:1] O/N=C(/N[C@H](O)C(Cl)(Cl)Cl)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(/C(=N\O)N[C@H](O)C(Cl)(Cl)Cl)cc1 ClC(Cl)(Cl)[*:1] CC(C)(C)c1ccc(cc1)/C(=N\O)N[C@H](O)[*:1]
CCOC(=O)C1=C(C)OC(=O)[C@@]12C(C(=O)OC)=C(N)N(C)c1ccccc12 CCOC(=O)[*:1] COC(=O)C1=C(N)N(C)c2ccccc2[C@]12C(=O)OC(C)=C2[*:1]
CCOC(=O)C1=C(C)OC(=O)[C@@]12C(C(=O)OC)=C(N)N(C)c1ccccc12 COC(=O)[*:1] CCOC(=O)C1=C(C)OC(=O)[C@@]12C(=C(N)N(C)c1ccccc12)[*:1]
CCCC[C@@H](O)[C@]1(C[NH3+])CCOc2ccccc21 CCCC[*:1] [NH3+]C[C@]1(CCOc2ccccc21)[C@H](O)[*:1]
CCCC[C@@H](O)[C@]1(C[NH3+])CCOc2ccccc21 CCCC[C@@H](O)[*:1] [NH3+]C[C@@]1(CCOc2ccccc21)[*:1]
CCCC[C@@H](O)[C@]1(C[NH3+])CCOc2ccccc21 CCC[*:1] [NH3+]C[C@]1(CCOc2ccccc21)[C@H](O)C[*:1]
Cc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1-c1ccccc1 Cc1ccccc1[*:1] C[C@H](C(=O)NC[*:1])S(=O)(=O)Cc1nnnn1-c1ccccc1
Cc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1-c1ccccc1 Cc1ccccc1C[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1nnnn1-c1ccccc1
Cc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1[*:1]
COC(=O)c1cccc(NC(=O)c2sc(C)nc2C)c1 COC(=O)[*:1] Cc1nc(C)c(s1)C(=O)Nc1cccc(c1)[*:1]
CCCNC(=O)CSc1c(CC)cnc2c1c(=O)n(C)c(=O)n2C CCCNC(=O)CS[*:1] CCc1cnc2c(c1[*:1])c(=O)n(C)c(=O)n2C
CCCNC(=O)CSc1c(CC)cnc2c1c(=O)n(C)c(=O)n2C CCC[*:1] CCc1cnc2c(c1SCC(=O)N[*:1])c(=O)n(C)c(=O)n2C
CCCNC(=O)CSc1c(CC)cnc2c1c(=O)n(C)c(=O)n2C CCCNC(=O)[*:1] CCc1cnc2c(c1SC[*:1])c(=O)n(C)c(=O)n2C
CCCNC(=O)CSc1c(CC)cnc2c1c(=O)n(C)c(=O)n2C CCCNC(=O)C[*:1] CCc1cnc2c(c1S[*:1])c(=O)n(C)c(=O)n2C
C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)Cn1cccn1 c1cnn(c1)[*:1] C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)C[*:1]
C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)Cn1cccn1 FC(F)(F)[*:1] C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(c1)[*:1])Cn1cccn1
C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)Cn1cccn1 c1cnn(c1)C[*:1] C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)[*:1]
CC[C@@H](C)[NH2+][C@H]1CSCC(C)(C)C1 CC[C@@H](C)[*:1] CC1(C)CSC[C@@H](C1)[NH2+][*:1]
C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C c1cncc(c1)[*:1] C[C@@H](Sc1nnc(n1Cc1ccccc1)[*:1])C(=O)N[C@H]1CCCC[C@H]1C
C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C c1ccc(cc1)C[*:1] C[C@@H](Sc1nnc(-c2cccnc2)n1[*:1])C(=O)N[C@H]1CCCC[C@H]1C
C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(-c2cccnc2)n1C[*:1])C(=O)N[C@H]1CCCC[C@H]1C
C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc(Br)cc1 c1csc(c1)[*:1] C[C@H](Sc1nnc(C[*:1])n1C1CC1)C(=O)Nc1ccc(Br)cc1
C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N[*:1]
C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc(Br)cc1 c1csc(c1)C[*:1] C[C@H](Sc1nnc(n1C1CC1)[*:1])C(=O)Nc1ccc(Br)cc1
C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc(Br)cc1 C1CC1[*:1] C[C@H](Sc1nnc(Cc2cccs2)n1[*:1])C(=O)Nc1ccc(Br)cc1
O=C(Nc1cccc(CN2CCn3c(nnc3C(F)(F)F)C2)c1)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 FC(F)(F)c1nnc2CN(CCn21)Cc1cccc(c1)[*:1]
O=C(Nc1cccc(CN2CCn3c(nnc3C(F)(F)F)C2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)CN1CCn2c(C1)nnc2C(F)(F)F)[*:1]
O=C(Nc1cccc(CN2CCn3c(nnc3C(F)(F)F)C2)c1)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)CN1CCn2c(C1)nnc2[*:1])c1ccc(F)cc1
CC[C@@](C)([C@H](CCC(F)(F)F)NC)[NH+](C)C FC(F)(F)C[*:1] CC[C@@](C)([C@H](C[*:1])NC)[NH+](C)C
CC[C@@](C)([C@H](CCC(F)(F)F)NC)[NH+](C)C FC(F)(F)[*:1] CC[C@@](C)([C@H](CC[*:1])NC)[NH+](C)C
C[C@@H](CCCO)NC(=O)c1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] C[C@@H](CCCO)NC(=O)c1ccc(nc1)[*:1]
C[C@@H](CCCO)NC(=O)c1ccc(-n2ccnc2)nc1 OCC[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(nc1)-n1ccnc1
C[C@@H](CCCO)NC(=O)c1ccc(-n2ccnc2)nc1 OCCC[*:1] C[C@@H](NC(=O)c1ccc(nc1)-n1ccnc1)[*:1]
C[C@@H](CCCO)NC(=O)c1ccc(-n2ccnc2)nc1 C[C@@H](CCCO)[*:1] O=C(N[*:1])c1ccc(nc1)-n1ccnc1
CCc1nc2ccccc2c(C(=O)OCC(=O)NC(=O)NCc2ccco2)c1C c1coc(c1)[*:1] CCc1nc2ccccc2c(C(=O)OCC(=O)NC(=O)NC[*:1])c1C
CCc1nc2ccccc2c(C(=O)OCC(=O)NC(=O)NCc2ccco2)c1C c1coc(c1)C[*:1] CCc1nc2ccccc2c(C(=O)OCC(=O)NC(=O)N[*:1])c1C
CC[C@H](CNC(=O)N1CCO[C@H](COC)C1)Oc1cccc(F)c1 COC[*:1] CC[C@H](CNC(=O)N1CCO[C@H](C1)[*:1])Oc1cccc(F)c1
CC[C@H](CNC(=O)N1CCO[C@H](COC)C1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@H](CNC(=O)N1CCO[C@H](COC)C1)O[*:1]
CC[C@H](CNC(=O)N1CCO[C@H](COC)C1)Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] CC[C@H](CNC(=O)N1CCO[C@H](COC)C1)[*:1]
CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N=c1[nH]c2ccccc2[nH]1 O=[N+]([O-])[*:1] CC(C)[C@H](NC(=O)c1ccc(Cl)c(c1)[*:1])C(=O)N=c1[nH]c2ccccc2[nH]1
CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N=c1[nH]c2ccccc2[nH]1 CC(C)[*:1] O=C(N[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
CN(C(=O)[C@H]([NH3+])CC(N)=O)C1CCC(C)(C)CC1 NC(=O)[*:1] CN(C(=O)[C@H]([NH3+])C[*:1])C1CCC(C)(C)CC1
CN(C(=O)[C@H]([NH3+])CC(N)=O)C1CCC(C)(C)CC1 NC(=O)C[*:1] CN(C(=O)[C@H]([NH3+])[*:1])C1CCC(C)(C)CC1
N#CCCCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21 N#CCC[*:1] O=C(/C=C/c1ccccc1)C[C@]1(O)C(=O)N(C[*:1])c2ccccc21
N#CCCCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] N#CCCCN1C(=O)[C@@](O)(CC(=O)C=C[*:1])c2ccccc21
N#CCCCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21 N#CC[*:1] O=C(/C=C/c1ccccc1)C[C@]1(O)C(=O)N(CC[*:1])c2ccccc21
N#CCCCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21 N#CCCC[*:1] O=C(/C=C/c1ccccc1)C[C@]1(O)C(=O)N(c2ccccc21)[*:1]
N#CCCCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21 C(=C[*:1])c1ccccc1 N#CCCCN1C(=O)[C@@](O)(CC(=O)[*:1])c2ccccc21
CCC(=O)c1ccc(OCC(=O)N2CCS(=O)(=O)c3ccccc32)cc1 CCC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])N1CCS(=O)(=O)c2ccccc21
C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
N#Cc1ccc(/C=C/C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(/C=C/C[NH2+]C[C@@H]2CCO[C@@H]2[*:1])cc1
N#Cc1ccc(/C=C/C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] C(=C[*:1])C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1
C[C@@H]1CCCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)C1 c1csc(c1)[*:1] C[C@@H]1CCCN(C1)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1[*:1]
O=C(Cn1ccnc1)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1ccnc1)Nc1ccccc1[*:1]
O=C(Cn1ccnc1)Nc1ccccc1-c1ccccc1 c1cn(cn1)[*:1] O=C(C[*:1])Nc1ccccc1-c1ccccc1
O=C(Cn1ccnc1)Nc1ccccc1-c1ccccc1 c1cn(cn1)C[*:1] O=C(Nc1ccccc1-c1ccccc1)[*:1]
N#Cc1ccccc1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] N#Cc1ccccc1OCC(=O)NC1CC[NH+](CC1)C[*:1]
N#Cc1ccccc1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 N#Cc1ccccc1[*:1] O=C(CO[*:1])NC1CC[NH+](CC1)Cc1ccccc1
N#Cc1ccccc1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] N#Cc1ccccc1OCC(=O)NC1CC[NH+](CC1)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1 Cc1cccc(C)c1[*:1] CC(C)[C@H](C(=O)NCC(=O)N[*:1])N1C[C@@H](C)O[C@H](C)C1
Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1 CC(C)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](N1C[C@@H](C)O[C@H](C)C1)[*:1]
COc1cc[nH]/c(=N\S(=O)(=O)/C=C/c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cc[nH]/c(c1)=N\S(=O)(=O)C=C[*:1]
COc1ccc(C)cc1CCNC(=O)Nc1ccc(C(N)=O)c(Cl)c1 NC(=O)[*:1] COc1ccc(C)cc1CCNC(=O)Nc1ccc(c(Cl)c1)[*:1]
O=C(Nc1c(F)c(F)cc(F)c1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1c(F)c(F)cc(F)c1F)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CN(C)c1ncccc1N(C)C(=O)C1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C)c1ncccc1N(C)C(=O)C1CCC(CC1)[*:1]
CN(C)c1ncccc1N(C)C(=O)C1CCC(c2ccccc2)CC1 CN(C)[*:1] CN(C(=O)C1CCC(CC1)c1ccccc1)c1cccnc1[*:1]
CC(C)(C)c1nc2cc(NC(=O)c3nccn4ccnc34)ccc2o1 CC(C)(C)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])c1nccn2ccnc12
CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] CCc1nc2[C@H](CCCn2n1)[NH2+]Cc1cnn(c1)C[*:1]
CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CCc1nc2[C@H](CCCn2n1)[NH2+]Cc1cnn(c1)[*:1]
CC(=O)c1cc(C#N)c(SCc2csc(-c3ccc(C)o3)n2)nc1C CC(=O)[*:1] Cc1ccc(o1)-c1nc(cs1)CSc1nc(C)c(cc1C#N)[*:1]
CC(=O)c1cc(C#N)c(SCc2csc(-c3ccc(C)o3)n2)nc1C Cc1ccc(o1)[*:1] CC(=O)c1cc(C#N)c(nc1C)SCc1csc(n1)[*:1]
CC(=O)Nc1sc(/C(C#N)=C/c2ccccc2[N+](=O)[O-])nc1-c1ccc(C)cc1 O=[N+]([O-])c1ccccc1[*:1] CC(=O)Nc1sc(nc1-c1ccc(C)cc1)C(C#N)=C[*:1]
CC(=O)Nc1sc(/C(C#N)=C/c2ccccc2[N+](=O)[O-])nc1-c1ccc(C)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1sc(nc1-c1ccc(C)cc1)/C(C#N)=C/c1ccccc1[*:1]
CC(=O)Nc1sc(/C(C#N)=C/c2ccccc2[N+](=O)[O-])nc1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1sc(nc1[*:1])/C(C#N)=C/c1ccccc1[N+](=O)[O-]
CC(=O)Nc1sc(/C(C#N)=C/c2ccccc2[N+](=O)[O-])nc1-c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)-c1nc(sc1[*:1])/C(C#N)=C/c1ccccc1[N+](=O)[O-]
C[C@H](CC(=O)Oc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 N#Cc1ccc(cc1)[*:1] C[C@H](CC(=O)O[*:1])S(=O)(=O)c1ccc(Cl)cc1
C[C@H](CC(=O)Oc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)Oc1ccc(C#N)cc1)S(=O)(=O)[*:1]
COc1ccc(-c2csc(NC(C)=O)n2)cc1C CC(=O)N[*:1] COc1ccc(cc1C)-c1csc(n1)[*:1]
COc1nc(C)ccc1CNc1cc(N2CCC[C@@H]2CO)ncn1 OC[C@H]1CCCN1[*:1] COc1nc(C)ccc1CNc1cc(ncn1)[*:1]
COc1ccc(OC)c(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)C(=O)N1CCN(C)C[C@H]1[*:1]
CC(C)Cn1c(SC[C@@H]2CCCO2)nnc1-c1ccco1 C1CO[C@@H](C1)C[*:1] CC(C)Cn1c(nnc1-c1ccco1)S[*:1]
CC(C)Cn1c(SC[C@@H]2CCCO2)nnc1-c1ccco1 C1CO[C@@H](C1)[*:1] CC(C)Cn1c(nnc1-c1ccco1)SC[*:1]
CC(C)Cn1c(SC[C@@H]2CCCO2)nnc1-c1ccco1 CC(C)[*:1] c1coc(c1)-c1nnc(SC[C@@H]2CCCO2)n1C[*:1]
CC(C)Cn1c(SC[C@@H]2CCCO2)nnc1-c1ccco1 c1coc(c1)[*:1] CC(C)Cn1c(nnc1[*:1])SC[C@@H]1CCCO1
CC(C)Cn1c(SC[C@@H]2CCCO2)nnc1-c1ccco1 C1CO[C@@H](C1)CS[*:1] CC(C)Cn1c(nnc1[*:1])-c1ccco1
CC(C)Cn1c(SC[C@@H]2CCCO2)nnc1-c1ccco1 CC(C)C[*:1] c1coc(c1)-c1nnc(SC[C@@H]2CCCO2)n1[*:1]
CC[C@@H](O)[C@@H]1CCCc2cc(OC)ccc21 CC[C@@H](O)[*:1] COc1ccc2c(c1)CCC[C@H]2[*:1]
Cc1cc(N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(C)[nH+]1 Clc1ccc(s1)[*:1] Cc1cc(cc(C)[nH+]1)N1CCN(CC1)C(=O)[*:1]
CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Br)cc2)cc1 CCO[*:1] CC1NC(=O)N[C@H](C=1C(=O)N/N=C/c1ccc(cc1)[*:1])c1ccc(Br)cc1
CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Br)cc2)cc1 CCOc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)NN=C[*:1])c1ccc(Br)cc1
CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@@H]2[*:1])cc1
Cn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)CC(=O)NC1CC1 O=C(NC1CC1)[*:1] Cn1c(nnc1S(=O)(=O)C[*:1])-c1ccc(Cl)cc1
Cn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)CC(=O)NC1CC1 Clc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])S(=O)(=O)CC(=O)NC1CC1
Cn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)CC(=O)NC1CC1 C1CC1[*:1] Cn1c(nnc1S(=O)(=O)CC(=O)N[*:1])-c1ccc(Cl)cc1
Cn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)CC(=O)NC1CC1 O=C(C[*:1])NC1CC1 Cn1c(nnc1S(=O)(=O)[*:1])-c1ccc(Cl)cc1
O=C1CC[C@@H](C(=O)c2cc(Cl)c3c(c2)OCO3)C1 O=C1CC[C@@H](C1)[*:1] O=C(c1cc(Cl)c2OCOc2c1)[*:1]
COc1ccc2nc3c(cc2c1)CN(CC1CC1)C(=O)CO3 C1CC1[*:1] COc1ccc2nc3OCC(=O)N(Cc3cc2c1)C[*:1]
COc1ccc2nc3c(cc2c1)CN(CC1CC1)C(=O)CO3 C1CC1C[*:1] COc1ccc2nc3OCC(=O)N(Cc3cc2c1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cccc[n+]3[O-])CC2)cc1 CCO[*:1] O=C(c1cccc[n+]1[O-])N1CC=C(CC1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cccc[n+]3[O-])CC2)cc1 [O-][n+]1ccccc1[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)[*:1]
O=C(Cc1cccc(Cl)c1)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccc(c1)[*:1] O=C(C[*:1])Nc1ccn(n1)-c1ncccc1Cl
O=C(Cc1cccc(Cl)c1)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] O=C(Cc1cccc(Cl)c1)Nc1ccn(n1)[*:1]
C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCN(C)CC(F)(F)F FC(F)(F)[*:1] C[NH2+][C@]1(CCC[C@H]1CCN(C)C[*:1])C(N)=O
C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCN(C)CC(F)(F)F NC(=O)[*:1] C[NH2+][C@]1(CCC[C@H]1CCN(C)CC(F)(F)F)[*:1]
C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCN(C)CC(F)(F)F FC(F)(F)C[*:1] C[NH2+][C@]1(CCC[C@H]1CCN(C)[*:1])C(N)=O
CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cn(C)cn1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])NS(=O)(=O)c1cn(C)cn1
CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cn(C)cn1 Cn1cnc(c1)[*:1] CC[C@H](Cc1ccccc1)NS(=O)(=O)[*:1]
Cc1nc(-c2ccccc2)n(Cc2ccccc2F)c(=O)c1CCO Fc1ccccc1C[*:1] Cc1nc(-c2ccccc2)n(c(=O)c1CCO)[*:1]
Cc1nc(-c2ccccc2)n(Cc2ccccc2F)c(=O)c1CCO Fc1ccccc1[*:1] Cc1nc(-c2ccccc2)n(C[*:1])c(=O)c1CCO
Cc1nc(-c2ccccc2)n(Cc2ccccc2F)c(=O)c1CCO OCC[*:1] Cc1nc(-c2ccccc2)n(Cc2ccccc2F)c(=O)c1[*:1]
Cc1nc(-c2ccccc2)n(Cc2ccccc2F)c(=O)c1CCO c1ccc(cc1)[*:1] Cc1nc(n(Cc2ccccc2F)c(=O)c1CCO)[*:1]
CC(C)c1c(N)nnn1C[C@H]1Cc2cc(F)ccc2O1 CC(C)[*:1] Nc1nnn(C[C@H]2Cc3cc(F)ccc3O2)c1[*:1]
O=C(NC1CC1)c1ccccc1NC(=O)C1CCOCC1 C1CC1[*:1] O=C(N[*:1])c1ccccc1NC(=O)C1CCOCC1
O=C(NC1CC1)c1ccccc1NC(=O)C1CCOCC1 C1CC(CCO1)[*:1] O=C(NC1CC1)c1ccccc1NC(=O)[*:1]
O=C(NC1CC1)c1ccccc1NC(=O)C1CCOCC1 O=C(NC1CC1)[*:1] O=C(Nc1ccccc1[*:1])C1CCOCC1
CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1
CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1 c1ccc(cc1)C[*:1] CCN(C(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1)[*:1]
CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N[*:1]
O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)/N=c2/cccc[nH]2)ccc1Cl Brc1ccc(cc1)[*:1] O=C(N[*:1])c1cc(ccc1Cl)S(=O)(=O)/N=c1/cccc[nH]1
Cc1ncc(S(=O)(=O)N(C)C2CCC(C)(C)CC2)[nH]1 Cc1ncc([nH]1)[*:1] CN(C1CCC(C)(C)CC1)S(=O)(=O)[*:1]
COc1ccc(C[C@]2(c3ccco3)NC(N)=NC2=O)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)C[C@@]1(NC(N)=NC1=O)[*:1]
O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)NC1CC[NH+](Cc2ccccc2)CC1 O=c1n(nc2ccccn12)[*:1] O=C(Nc1cccc(c1)C[*:1])NC1CC[NH+](CC1)Cc1ccccc1
O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)Cn1nc2ccccn2c1=O)NC1CC[NH+](CC1)C[*:1]
O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)NC1CC[NH+](Cc2ccccc2)CC1 O=c1n(C[*:1])nc2ccccn12 O=C(Nc1cccc(c1)[*:1])NC1CC[NH+](CC1)Cc1ccccc1
O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)Cn1nc2ccccn2c1=O)NC1CC[NH+](CC1)[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCCC(=O)N(C)C)C1 CC(C)[*:1] CN(C)C(=O)CCNC(=O)C[C@@H]1CCCN(C1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCCC(=O)N(C)C)C1 CC(C)C[*:1] CN(C)C(=O)CCNC(=O)C[C@@H]1CCCN(C1)C(=O)N[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCCC(=O)N(C)C)C1 CN(C)C(=O)C[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NC[*:1])C1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCCC(=O)N(C)C)C1 CN(C)C(=O)CC[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[*:1])C1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCCC(=O)N(C)C)C1 CN(C)C(=O)[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCC[*:1])C1
CC[C@](C)([C@@H](N)Cc1ccncc1)[NH+]1CCCCC1 c1cc(ccn1)[*:1] CC[C@](C)([C@@H](N)C[*:1])[NH+]1CCCCC1
Cc1nc2c3c(F)cccc3nn2c(C)c1C/C([O-])=N/c1ncn[nH]1 c1n[nH]c(n1)[*:1] Cc1nc2c3c(F)cccc3nn2c(C)c1CC([O-])=N[*:1]
CS(=O)(=O)c1ccc(OCc2cc(=O)n3ccsc3n2)cc1 CS(=O)(=O)[*:1] O=c1cc(COc2ccc(cc2)[*:1])nc2sccn12
[NH3+][C@]1(C(=O)[O-])CC[C@H](Oc2ccccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] [NH3+][C@@]1(CC[C@@H](C1)Oc1ccccc1[*:1])C(=O)[O-]
[NH3+][C@]1(C(=O)[O-])CC[C@H](Oc2ccccc2[N+](=O)[O-])C1 O=C([O-])[*:1] [NH3+][C@@]1(CC[C@@H](C1)Oc1ccccc1[N+](=O)[O-])[*:1]
CCC[NH2+]Cc1nc(C)ccc1OC CCC[*:1] COc1ccc(C)nc1C[NH2+][*:1]
CCN(CCC#N)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 N#CCC[*:1] CCN(C(=O)c1cc(nc2onc(C)c12)-c1cc(C)oc1C)[*:1]
CCN(CCC#N)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 Cc1cc(c(C)o1)[*:1] CCN(CCC#N)C(=O)c1cc(nc2onc(C)c12)[*:1]
CCN(CCC#N)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 N#CC[*:1] CCN(C[*:1])C(=O)c1cc(nc2onc(C)c12)-c1cc(C)oc1C
CC[C@@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC1CCCCC1 CC[C@@H](C)OC(=O)[*:1] O=C(NC1CCCCC1)[C@H]1CC=CC[C@H]1[*:1]
CC[C@@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC[C@@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[*:1]
CC[C@@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC1CCCCC1 CC[C@@H](C)[*:1] O=C(NC1CCCCC1)[C@H]1CC=CC[C@H]1C(=O)O[*:1]
O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(cc1)[*:1]
O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(cc1)C[*:1]
O=C(/C=C/c1cccnc1)NC1(c2cccc(F)c2)CCOCC1 c1cncc(c1)[*:1] O=C(C=C[*:1])NC1(CCOCC1)c1cccc(F)c1
O=C(/C=C/c1cccnc1)NC1(c2cccc(F)c2)CCOCC1 Fc1cccc(c1)[*:1] O=C(/C=C/c1cccnc1)NC1(CCOCC1)[*:1]
O=C(/C=C/c1cccnc1)NC1(c2cccc(F)c2)CCOCC1 C(=C[*:1])c1cccnc1 O=C(NC1(CCOCC1)c1cccc(F)c1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 O=[N+]([O-])[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1ccc(c(Cl)c1)[*:1]
CC1(C)CCN(C(=O)NCCCS(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CC1(C)CCN(C1)C(=O)NCCCS(=O)(=O)[*:1]
Cc1ccc(N2CC[C@@H](C(=O)NCc3nc(C)c(C)s3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1nc(CNC(=O)[C@@H]2CCN(C2=O)[*:1])sc1C
Cc1ccc(N2CC[C@@H](C(=O)NCc3nc(C)c(C)s3)C2=O)cc1 Cc1nc(sc1C)[*:1] Cc1ccc(cc1)N1CC[C@@H](C(=O)NC[*:1])C1=O
Cc1ccc(N2CC[C@@H](C(=O)NCc3nc(C)c(C)s3)C2=O)cc1 Cc1nc(C[*:1])sc1C Cc1ccc(cc1)N1CC[C@@H](C(=O)N[*:1])C1=O
CCNS(=O)(=O)[C@@H]1CCN(C(=O)CCOc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)CCO[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)CCOc2cccc(Cl)c2)C1 CCNS(=O)(=O)[*:1] O=C(CCOc1cccc(Cl)c1)N1CC[C@H](C1)[*:1]
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc(s1)[*:1]
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc([C@@H]2CCCO2)s1 c1ccc(cc1)[*:1] N#C[C@H]([C@@H]1CCCN1C(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
C[C@@H](CNC(=O)c1cn(Cc2cccnc2)nn1)Cc1cccs1 c1csc(c1)C[*:1] C[C@@H](CNC(=O)c1cn(Cc2cccnc2)nn1)[*:1]
C[C@@H](CNC(=O)c1cn(Cc2cccnc2)nn1)Cc1cccs1 c1csc(c1)[*:1] C[C@@H](CNC(=O)c1cn(Cc2cccnc2)nn1)C[*:1]
C[C@@H](CNC(=O)c1cn(Cc2cccnc2)nn1)Cc1cccs1 c1cncc(c1)[*:1] C[C@@H](CNC(=O)c1cn(C[*:1])nn1)Cc1cccs1
C[C@@H](CNC(=O)c1cn(Cc2cccnc2)nn1)Cc1cccs1 c1cncc(c1)C[*:1] C[C@@H](CNC(=O)c1cn(nn1)[*:1])Cc1cccs1
C[C@@H](CNC(=O)c1cn(Cc2cccnc2)nn1)Cc1cccs1 C[C@@H](Cc1cccs1)[*:1] O=C(NC[*:1])c1cn(Cc2cccnc2)nn1
Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1Cl c1cc2OCOc2cc1[*:1] Cc1ccc(/C=C/C(=O)N2CCC(CC2)C(=O)N[*:1])cc1Cl
Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1Cl Cc1ccc(C=C[*:1])cc1Cl O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)C=C[*:1]
CCN1CC(=O)Nc2cc(C(=O)N3CCN(C[C@H]4CCOC4)CC3)ccc21 C1C[C@@H](CO1)C[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N1CCN(CC1)[*:1]
COC(=O)c1ccc2oc(=O)n(C3CCN(C(=O)c4cc(C)nc(Cl)c4)CC3)c2c1 COC(=O)[*:1] Cc1cc(cc(Cl)n1)C(=O)N1CCC(CC1)n1c(=O)oc2ccc(cc21)[*:1]
COC(=O)c1ccc2oc(=O)n(C3CCN(C(=O)c4cc(C)nc(Cl)c4)CC3)c2c1 Cc1cc(cc(Cl)n1)[*:1] COC(=O)c1ccc2oc(=O)n(c2c1)C1CCN(CC1)C(=O)[*:1]
CO[C@@]1(C)C[C@@H](N(C)C(=O)NCc2ccc(N3CCCC3=O)cc2)C1(C)C O=C1CCCN1[*:1] CO[C@@]1(C)C[C@@H](N(C)C(=O)NCc2ccc(cc2)[*:1])C1(C)C
CCOc1ccc(NC(=O)NC(=O)N(C(C)C)S(C)(=O)=O)cc1 CC(C)[*:1] CCOc1ccc(cc1)NC(=O)NC(=O)N(S(C)(=O)=O)[*:1]
CCOc1ccc(NC(=O)NC(=O)N(C(C)C)S(C)(=O)=O)cc1 CCO[*:1] CC(C)N(C(=O)NC(=O)Nc1ccc(cc1)[*:1])S(C)(=O)=O
O=[N+]([O-])c1ccccc1OCc1cc(Cl)c2c(c1)OCCO2 O=[N+]([O-])[*:1] Clc1cc(cc2OCCOc12)COc1ccccc1[*:1]
CCOCC1CC[NH+](Cc2coc3ccccc23)CC1 CCO[*:1] c1ccc2c(coc2c1)C[NH+]1CCC(CC1)C[*:1]
CCOCC1CC[NH+](Cc2coc3ccccc23)CC1 CCOC[*:1] c1ccc2c(coc2c1)C[NH+]1CCC(CC1)[*:1]
CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 CC(=O)[*:1] CC[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
O=C(Cc1ccc[nH]1)NC1CCCCCCC1 c1c[nH]c(c1)[*:1] O=C(C[*:1])NC1CCCCCCC1
CCc1nn(C)cc1C(=O)NNC(=O)c1cc(-c2ccccc2OC)n[nH]1 CCc1nn(C)cc1[*:1] COc1ccccc1-c1cc([nH]n1)C(=O)NNC(=O)[*:1]
CCc1nn(C)cc1C(=O)NNC(=O)c1cc(-c2ccccc2OC)n[nH]1 COc1ccccc1[*:1] CCc1nn(C)cc1C(=O)NNC(=O)c1cc(n[nH]1)[*:1]
O=C([O-])c1c(F)cccc1N[C@H]1CCCc2ccccc21 O=C([O-])[*:1] Fc1cccc(N[C@H]2CCCc3ccccc32)c1[*:1]
CCOC(=O)[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 CCOC(=O)[*:1] C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@@H]([NH+]2CCCC2)C1 Clc1ccccc1C[*:1] Cc1nn(c(C)c1CN1CC[C@H](C1)[NH+]1CCCC1)[*:1]
Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@@H]([NH+]2CCCC2)C1 Clc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1CN1CC[C@H](C1)[NH+]1CCCC1
Cc1ccc([C@H]2NC(=O)c3c(C)cccc3N2)o1 Cc1ccc(o1)[*:1] Cc1cccc2N[C@H](NC(=O)c12)[*:1]
Cc1ncsc1C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 Cc1ncsc1[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[*:1]
N#Cc1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N/C(=O)c1ccc(F)cc1 c1ccc(cc1)CC[*:1] N#Cc1cc2c(=O)n3ccccc3nc2n(/c1=N/C(=O)c1ccc(F)cc1)[*:1]
N#Cc1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N/C(=O)c1ccc(F)cc1 c1ccc(cc1)C[*:1] N#Cc1cc2c(=O)n3ccccc3nc2n(C[*:1])/c1=N/C(=O)c1ccc(F)cc1
N#Cc1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N/C(=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] N#Cc1cc2c(=O)n3ccccc3nc2n(CC[*:1])/c1=N/C(=O)c1ccc(F)cc1
N#Cc1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N/C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#Cc1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N/C(=O)[*:1]
O=C(c1ccccc1)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(c1ccccc1)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 Fc1cccc(c1)[*:1] O=C(c1ccccc1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(c1ccccc1)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 Fc1cccc(c1)C[*:1] O=C(c1ccccc1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc3ccccc3n1)CC2 CC(=O)N[*:1] O=C(c1ccc2ccccc2n1)N1CCc2nc(sc2C1)[*:1]
Cc1ccc(C(=O)N2CCN(Cn3ncn(C4CC4)c3=S)CC2)s1 C1CC1[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)Cn1ncn(c1=S)[*:1]
Cc1ccc(C(=O)N2CCN(Cn3ncn(C4CC4)c3=S)CC2)s1 Cc1ccc(s1)[*:1] O=C(N1CCN(CC1)Cn1ncn(c1=S)C1CC1)[*:1]
COc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H](C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)N[C@@H](C)[*:1])C(=O)N(C)C
COc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H](C)c1ccc(C)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1NC(=O)N[C@@H](C)c1ccc(C)cc1)[*:1]
CCc1onc(C)c1NC(=O)[C@@H](NC(=O)N1CCCC1)[C@@H](C)CC CC[C@H](C)[*:1] CCc1onc(C)c1NC(=O)[C@@H](NC(=O)N1CCCC1)[*:1]
CCc1onc(C)c1NC(=O)[C@@H](NC(=O)N1CCCC1)[C@@H](C)CC O=C(N[*:1])N1CCCC1 CCc1onc(C)c1NC(=O)[C@@H]([C@@H](C)CC)[*:1]
CCc1onc(C)c1NC(=O)[C@@H](NC(=O)N1CCCC1)[C@@H](C)CC CCc1onc(C)c1[*:1] CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)C(C#N)=C[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1)[*:1]
CCOc1cc(C(=O)Nc2cc(F)ccc2OC)ccc1C CCO[*:1] COc1ccc(F)cc1NC(=O)c1ccc(C)c(c1)[*:1]
O=C(CS(=O)(=O)Cc1cccc(Br)c1)N[C@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CS(=O)(=O)Cc1cccc(Br)c1)N[C@H](c1ccccc1)[*:1]
O=C(CS(=O)(=O)Cc1cccc(Br)c1)N[C@H](c1ccccc1)c1ccc(F)cc1 Brc1cccc(c1)C[*:1] O=C(CS(=O)(=O)[*:1])N[C@H](c1ccccc1)c1ccc(F)cc1
O=C(CS(=O)(=O)Cc1cccc(Br)c1)N[C@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)Cc1cccc(Br)c1)N[C@H](c1ccc(F)cc1)[*:1]
O=C(CS(=O)(=O)Cc1cccc(Br)c1)N[C@H](c1ccccc1)c1ccc(F)cc1 Brc1cccc(c1)[*:1] O=C(CS(=O)(=O)C[*:1])N[C@H](c1ccccc1)c1ccc(F)cc1
CCC[C@H](C#N)NC(=O)c1cc(C(C)C)nc2ccccc12 CCC[*:1] CC(C)c1cc(C(=O)N[C@@H](C#N)[*:1])c2ccccc2n1
CCC[C@H](C#N)NC(=O)c1cc(C(C)C)nc2ccccc12 CC(C)[*:1] CCC[C@H](C#N)NC(=O)c1cc(nc2ccccc12)[*:1]
Cc1sc(NC(=O)C2CCCCC2)c(C(N)=O)c1C C1CCC(CC1)[*:1] Cc1sc(NC(=O)[*:1])c(C(N)=O)c1C
Cc1sc(NC(=O)C2CCCCC2)c(C(N)=O)c1C NC(=O)[*:1] Cc1sc(NC(=O)C2CCCCC2)c(c1C)[*:1]
CC[C@H]([NH3+])Cc1ccc(OCCc2ccccn2)cn1 c1ccc(nc1)[*:1] CC[C@H]([NH3+])Cc1ccc(cn1)OCC[*:1]
Cn1c(=O)n(C)c2cc(/C=C/[N+](=O)[O-])c(Br)cc21 O=[N+]([O-])[*:1] Cn1c(=O)n(C)c2cc(C=C[*:1])c(Br)cc21
Cn1c(=O)n(C)c2cc(/C=C/[N+](=O)[O-])c(Br)cc21 O=[N+]([O-])C=C[*:1] Cn1c(=O)n(C)c2cc(c(Br)cc21)[*:1]
C[C@@H](CCc1ccco1)[NH2+]C[C@](C)(O)c1ccc(F)cc1F c1coc(c1)[*:1] C[C@@H](CC[*:1])[NH2+]C[C@](C)(O)c1ccc(F)cc1F
C[C@@H](CCc1ccco1)[NH2+]C[C@](C)(O)c1ccc(F)cc1F c1coc(c1)CC[*:1] C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1F)[*:1]
C[C@@H](CCc1ccco1)[NH2+]C[C@](C)(O)c1ccc(F)cc1F c1coc(c1)C[*:1] C[C@@H](C[*:1])[NH2+]C[C@](C)(O)c1ccc(F)cc1F
Cc1ccc(Cl)cc1-n1ncc2c(N(C)Cc3ccccc3)ncnc21 Cc1ccc(Cl)cc1[*:1] CN(Cc1ccccc1)c1ncnc2c1cnn2[*:1]
Cc1ccc(Cl)cc1-n1ncc2c(N(C)Cc3ccccc3)ncnc21 c1ccc(cc1)C[*:1] Cc1ccc(Cl)cc1-n1ncc2c(ncnc21)N(C)[*:1]
Cc1ccc(Cl)cc1-n1ncc2c(N(C)Cc3ccccc3)ncnc21 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1-n1ncc2c(ncnc21)N(C)C[*:1]
C[C@](N)(C(=O)NC[C@@H](O)CO)C(F)(F)F OC[C@H](O)C[*:1] C[C@](N)(C(=O)N[*:1])C(F)(F)F
C[C@](N)(C(=O)NC[C@@H](O)CO)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(C(=O)NC[C@@H](O)CO)[*:1]
C[C@](N)(C(=O)NC[C@@H](O)CO)C(F)(F)F OC[C@H](O)[*:1] C[C@](N)(C(=O)NC[*:1])C(F)(F)F
COCC(=O)N1CCC([NH2+][C@@H]2CCCCC2(C)C)CC1 COC[*:1] CC1(C)CCCC[C@H]1[NH2+]C1CCN(CC1)C(=O)[*:1]
C[C@@H](Cc1cccs1)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 c1csc(c1)C[*:1] C[C@H](NC(=O)[C@H](C)[*:1])c1ccc(cc1)-c1ccncc1
C[C@@H](Cc1cccs1)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 c1csc(c1)[*:1] C[C@@H](C[*:1])C(=O)N[C@@H](C)c1ccc(cc1)-c1ccncc1
C[C@@H](Cc1cccs1)C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@@H](Cc1cccs1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cn1/c(=N/C(=O)C2CCCC2)sc2cc3c(cc21)OCO3 C1CCC(C1)[*:1] Cn1/c(=N/C(=O)[*:1])sc2cc3OCOc3cc21
CCc1c(C(=O)N(C)CCc2ccccc2)[nH]c(C)c1C(C)=O c1ccc(cc1)C[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)N(C)C[*:1]
CCc1c(C(=O)N(C)CCc2ccccc2)[nH]c(C)c1C(C)=O c1ccc(cc1)[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)N(C)CC[*:1]
CCc1c(C(=O)N(C)CCc2ccccc2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)N(C)CCc1ccccc1
COc1ccc(N(Cc2cccs2)C(=O)CCC(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)N(Cc1cccs1)C(=O)CC[*:1]
COc1ccc(N(Cc2cccs2)C(=O)CCC(F)(F)F)cc1 c1csc(c1)[*:1] COc1ccc(cc1)N(C[*:1])C(=O)CCC(F)(F)F
COc1ccc(N(Cc2cccs2)C(=O)CCC(F)(F)F)cc1 FC(F)(F)CC[*:1] COc1ccc(cc1)N(Cc1cccs1)C(=O)[*:1]
COc1ccc(N(Cc2cccs2)C(=O)CCC(F)(F)F)cc1 FC(F)(F)C[*:1] COc1ccc(cc1)N(Cc1cccs1)C(=O)C[*:1]
COc1ccc(N(Cc2cccs2)C(=O)CCC(F)(F)F)cc1 c1csc(c1)C[*:1] COc1ccc(cc1)N(C(=O)CCC(F)(F)F)[*:1]
O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(F)c1 O=C(Nc1cccc(F)c1)[*:1] O=C1[C@@H](C[*:1])n2c(nc3ccccc32)N1C[C@@H]1CCCO1
O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(F)c1 C1CO[C@@H](C1)C[*:1] O=C(C[C@@H]1C(=O)N(c2nc3ccccc3n21)[*:1])Nc1cccc(F)c1
O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)N[*:1]
O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(F)c1 C1CO[C@@H](C1)[*:1] O=C(C[C@@H]1C(=O)N(C[*:1])c2nc3ccccc3n21)Nc1cccc(F)c1
CC(C)CCc1noc(CN2C(=O)c3ccccc3C2=O)n1 CC(C)CC[*:1] O=C1c2ccccc2C(=O)N1Cc1nc(no1)[*:1]
CC(C)CCc1noc(CN2C(=O)c3ccccc3C2=O)n1 CC(C)[*:1] O=C1c2ccccc2C(=O)N1Cc1nc(CC[*:1])no1
CC(C)CCc1noc(CN2C(=O)c3ccccc3C2=O)n1 CC(C)C[*:1] O=C1c2ccccc2C(=O)N1Cc1nc(C[*:1])no1
O=C(Nc1cccc(F)c1)[C@H](Cl)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)[C@H](Cl)[*:1]
CCn1nc(C(=O)N2CCCC2)c2c1CC[NH+](Cc1ccc(Oc3ncccn3)cc1)C2 c1cnc(nc1)[*:1] CCn1nc(C(=O)N2CCCC2)c2C[NH+](CCc21)Cc1ccc(cc1)O[*:1]
CCn1nc(C(=O)N2CCCC2)c2c1CC[NH+](Cc1ccc(Oc3ncccn3)cc1)C2 c1cnc(nc1)O[*:1] CCn1nc(C(=O)N2CCCC2)c2C[NH+](CCc21)Cc1ccc(cc1)[*:1]
CCn1nc(C(=O)N2CCCC2)c2c1CC[NH+](Cc1ccc(Oc3ncccn3)cc1)C2 O=C(N1CCCC1)[*:1] CCn1nc(c2C[NH+](CCc21)Cc1ccc(cc1)Oc1ncccn1)[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)NCCC(=O)NC[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2F)cc1 Cc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)[*:1])NCc1ccccc1F
Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2F)cc1 Fc1ccccc1C[*:1] Cc1ccc(cc1)S(=O)(=O)NCCC(=O)N[*:1]
COc1ccc([C@@H](CC(=O)Nc2ccc(C)c(F)c2)NC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Nc1ccc(C)c(F)c1)[*:1]
COc1ccc([C@@H](CC(=O)Nc2ccc(C)c(F)c2)NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@@H](CC(=O)Nc1ccc(C)c(F)c1)[*:1]
COc1ccc([C@@H](CC(=O)Nc2ccc(C)c(F)c2)NC(C)=O)cc1 Cc1ccc(cc1F)[*:1] COc1ccc(cc1)[C@@H](CC(=O)N[*:1])NC(C)=O
CCc1ocnc1C(=O)NC[C@H]1COc2c(cccc2OC)C1 CCc1ocnc1[*:1] COc1cccc2C[C@@H](CNC(=O)[*:1])COc21
Cc1cc(C(F)(F)F)c2c(=O)[nH]c(C3CCN(C(=O)[C@H](C)Cn4cc(Cl)cn4)CC3)cc2n1 Clc1cnn(c1)C[*:1] Cc1cc(c2c(=O)[nH]c(cc2n1)C1CCN(CC1)C(=O)[C@H](C)[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)c2c(=O)[nH]c(C3CCN(C(=O)[C@H](C)Cn4cc(Cl)cn4)CC3)cc2n1 FC(F)(F)[*:1] Cc1cc(c2c(=O)[nH]c(cc2n1)C1CCN(CC1)C(=O)[C@H](C)Cn1cc(Cl)cn1)[*:1]
Cc1cc(C(F)(F)F)c2c(=O)[nH]c(C3CCN(C(=O)[C@H](C)Cn4cc(Cl)cn4)CC3)cc2n1 Clc1cnn(c1)[*:1] Cc1cc(c2c(=O)[nH]c(cc2n1)C1CCN(CC1)C(=O)[C@H](C)C[*:1])C(F)(F)F
Cc1nc(CN2CCC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)cs1 Cc1nc(cs1)[*:1] O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCCN(CC2)C[*:1])o1
Cc1nc(CN2CCC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)cs1 Cc1nc(cs1)C[*:1] O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCCN(CC2)[*:1])o1
Cc1nc(CN2CCC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)cs1 O=[N+]([O-])[*:1] Cc1nc(cs1)CN1CCC[NH+](CC1)Cc1ccc(o1)-c1ccccc1[*:1]
Cc1nc(CN2CCC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)cs1 O=[N+]([O-])c1ccccc1[*:1] Cc1nc(cs1)CN1CCC[NH+](CC1)Cc1ccc(o1)[*:1]
COc1ccc(-c2ccc(C#N)c(S[C@@H](C)C(=O)[O-])n2)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1ccc(C#N)c(n1)S[C@@H](C)[*:1]
Cc1noc(CCC(=O)N[C@H](C)c2cc(C)sc2C)n1 Cc1noc(n1)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)CC[*:1]
O=C([O-])CCCCc1c[nH]c2ccccc12 O=C([O-])C[*:1] c1ccc2c(c[nH]c2c1)CCC[*:1]
O=C([O-])CCCCc1c[nH]c2ccccc12 O=C([O-])[*:1] c1ccc2c(c[nH]c2c1)CCCC[*:1]
O=C([O-])CCCCc1c[nH]c2ccccc12 O=C([O-])CC[*:1] c1ccc2c(c[nH]c2c1)CC[*:1]
C[C@H](NC(=O)[C@H]1CCO[C@H]1C)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)[C@H]1CCO[C@H]1C)c1cnn(c1)[*:1]
C[C@H](NC(=O)[C@H]1CCO[C@H]1C)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H]1CCO[C@H]1C)c1cnn(c1)C[*:1]
CC[C@H](C(=O)NCC(=O)Nc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] CC[C@H](C(=O)NCC(=O)N[*:1])c1ccccc1
CC[C@H](C(=O)NCC(=O)Nc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)NCC(=O)Nc1ccc(F)cc1)[*:1]
Cc1cc(C)n([C@@H](C)C(=O)NC(C)(c2ccccc2)c2ccccc2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C(=O)NC(C)(c1ccccc1)c1ccccc1)[*:1]
Cc1cc(C)n([C@@H](C)C(=O)NC(C)(c2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)NC(C)(c1ccccc1)[*:1]
C[C@@H]([NH2+]CCCCN1CCOCC1)c1cccnc1 C1CN(CCO1)[*:1] C[C@@H]([NH2+]CCCC[*:1])c1cccnc1
C[C@@H]([NH2+]CCCCN1CCOCC1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H]([NH2+]CCCCN1CCOCC1)[*:1]
O=C(Nc1cccc(F)c1)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1 Fc1cccc(c1)[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1)N[*:1]
O=C(Nc1cccc(F)c1)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1 Oc1ccc(cc1)C[*:1] O=C(Nc1cccc(F)c1)N[C@H]1C[C@H]2C(=O)N[C@@H](C(=O)N2C1)[*:1]
O=C(Nc1cccc(F)c1)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1 Oc1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)N[C@H]1C[C@H]2C(=O)N[C@@H](C[*:1])C(=O)N2C1
c1ccc(OCCCNc2nc3ccccn3n2)cc1 c1ccc(cc1)[*:1] c1ccn2nc(nc2c1)NCCCO[*:1]
CCCn1cc(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 C(#C[*:1])c1ccccn1 CCCn1cc(cn1)NC(=O)Nc1cccc(c1)[*:1]
CCCn1cc(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 c1ccc(nc1)[*:1] CCCn1cc(cn1)NC(=O)Nc1cccc(C#C[*:1])c1
CCCn1cc(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 CCCn1cc(cn1)[*:1] O=C(Nc1cccc(C#Cc2ccccn2)c1)N[*:1]
CCCn1cc(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 CCC[*:1] O=C(Nc1cccc(C#Cc2ccccn2)c1)Nc1cnn(c1)[*:1]
CC(C)NC(=O)[C@@H]1CN(C(=O)C2CCCC2)C[C@]12Cc1ccccc1C(=O)N2 CC(C)NC(=O)[*:1] O=C1N[C@]2(Cc3ccccc31)CN(C[C@H]2[*:1])C(=O)C1CCCC1
CC(C)NC(=O)[C@@H]1CN(C(=O)C2CCCC2)C[C@]12Cc1ccccc1C(=O)N2 C1CCC(C1)[*:1] CC(C)NC(=O)[C@@H]1CN(C[C@]12Cc1ccccc1C(=O)N2)C(=O)[*:1]
CC(C)NC(=O)[C@@H]1CN(C(=O)C2CCCC2)C[C@]12Cc1ccccc1C(=O)N2 CC(C)[*:1] O=C1N[C@]2(Cc3ccccc31)CN(C[C@H]2C(=O)N[*:1])C(=O)C1CCCC1
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)[*:1]
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccc(Cl)c1 CN(C)S(=O)(=O)[*:1] O=S(=O)(c1cccc(Cl)c1)N1CCc2cc(ccc21)[*:1]
CCc1ccc(O)c([N-]S(=O)(=O)CCOC(C)C)c1 CC(C)[*:1] CCc1ccc(O)c(c1)[N-]S(=O)(=O)CCO[*:1]
CCc1ccc(O)c([N-]S(=O)(=O)CCOC(C)C)c1 CC(C)OCC[*:1] CCc1ccc(O)c(c1)[N-]S(=O)(=O)[*:1]
CCc1ccc(O)c([N-]S(=O)(=O)CCOC(C)C)c1 CC(C)OC[*:1] CCc1ccc(O)c(c1)[N-]S(=O)(=O)C[*:1]
CCc1ccc(O)c([N-]S(=O)(=O)CCOC(C)C)c1 CC(C)O[*:1] CCc1ccc(O)c(c1)[N-]S(=O)(=O)CC[*:1]
Cc1cc2nc(NC(=O)C3CCCC3)sc2cc1C C1CCC(C1)[*:1] Cc1cc2nc(NC(=O)[*:1])sc2cc1C
O=C(Nc1ccc(F)cc1OCC(F)F)[C@@H]1CC(=O)N(C2CCCC2)C1 FC(F)[*:1] O=C(Nc1ccc(F)cc1OC[*:1])[C@@H]1CC(=O)N(C1)C1CCCC1
O=C(Nc1ccc(F)cc1OCC(F)F)[C@@H]1CC(=O)N(C2CCCC2)C1 C1CCC(C1)[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(F)cc1OCC(F)F)[C@@H]1CC(=O)N(C2CCCC2)C1 FC(F)CO[*:1] O=C(Nc1ccc(F)cc1[*:1])[C@@H]1CC(=O)N(C1)C1CCCC1
O=C(Nc1ccc(F)cc1OCC(F)F)[C@@H]1CC(=O)N(C2CCCC2)C1 FC(F)C[*:1] O=C(Nc1ccc(F)cc1O[*:1])[C@@H]1CC(=O)N(C1)C1CCCC1
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)N1CCOCC1 COC(=O)[*:1] Cc1ccc2[nH]c(c(NC(=O)N3CCOCC3)c2c1)[*:1]
CC(C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1c1ccsc1 CC(C)[*:1] O=C1[C@H]2CCCCN2C(=O)[C@@H](N1c1ccsc1)[*:1]
CC(C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1c1ccsc1 c1cc(cs1)[*:1] CC(C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1[*:1]
CC(C)[C@H](N[C@H](C)c1cc(F)c(F)c(F)c1)C(=O)N1CCCC1 CC(C)[*:1] C[C@@H](N[C@H](C(=O)N1CCCC1)[*:1])c1cc(F)c(F)c(F)c1
CC(C)[C@H](N[C@H](C)c1cc(F)c(F)c(F)c1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](N[C@H](C)c1cc(F)c(F)c(F)c1)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCC[NH+]2CCCCC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(NCC[NH+]1CCCCC1)[C@@H]1CCCN1S(=O)(=O)[*:1]
COc1ccccc1NC(=O)c1ccc(-n2cccn2)nn1 c1cnn(c1)[*:1] COc1ccccc1NC(=O)c1ccc(nn1)[*:1]
Cc1ccccc1CN(Cc1ccccc1)[C@H]1C=CS(=O)(=O)C1 c1ccc(cc1)C[*:1] Cc1ccccc1CN([C@H]1C=CS(=O)(=O)C1)[*:1]
Cc1ccccc1CN(Cc1ccccc1)[C@H]1C=CS(=O)(=O)C1 Cc1ccccc1[*:1] O=S1(=O)C=C[C@@H](C1)N(Cc1ccccc1)C[*:1]
Cc1ccccc1CN(Cc1ccccc1)[C@H]1C=CS(=O)(=O)C1 c1ccc(cc1)[*:1] Cc1ccccc1CN(C[*:1])[C@H]1C=CS(=O)(=O)C1
O=C1c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2C(=O)N1C[C@H]1CCCO1 Fc1ccccc1[*:1] O=C1c2ccc(cc2C(=O)N1C[C@H]1CCCO1)C(=O)N(C[*:1])C1CC1
O=C1c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2C(=O)N1C[C@H]1CCCO1 C1CC1[*:1] O=C1c2ccc(cc2C(=O)N1C[C@H]1CCCO1)C(=O)N(Cc1ccccc1F)[*:1]
O=C1c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2C(=O)N1C[C@H]1CCCO1 Fc1ccccc1C[*:1] O=C1c2ccc(cc2C(=O)N1C[C@H]1CCCO1)C(=O)N(C1CC1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)c1 c1cnn(c1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)c1 CCOC(=O)[*:1] O=C(c1cccc(c1)-n1cccn1)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
Cc1noc(/C=C\c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1NC(=O)C1CC1 Clc1ccccc1[*:1] Cc1noc(/C=C\c2ccc(cc2)S(=O)(=O)N[*:1])c1NC(=O)C1CC1
Cc1noc(/C=C\c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1NC(=O)C1CC1 C1CC1[*:1] Cc1noc(/C=C\c2ccc(cc2)S(=O)(=O)Nc2ccccc2Cl)c1NC(=O)[*:1]
Cc1noc(/C=C\c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1NC(=O)C1CC1 O=C(N[*:1])C1CC1 Cc1noc(/C=C\c2ccc(cc2)S(=O)(=O)Nc2ccccc2Cl)c1[*:1]
CC[C@@H](C)NC(=O)c1sc2ncnc(N3CCN(c4ccccc4F)CC3)c2c1C Fc1ccccc1[*:1] CC[C@@H](C)NC(=O)c1sc2ncnc(c2c1C)N1CCN(CC1)[*:1]
CCSCCC(=O)Nc1cc(F)cc(F)c1 CCS[*:1] O=C(CC[*:1])Nc1cc(F)cc(F)c1
CCSCCC(=O)Nc1cc(F)cc(F)c1 CCSC[*:1] O=C(C[*:1])Nc1cc(F)cc(F)c1
CCSCCC(=O)Nc1cc(F)cc(F)c1 CCSCC[*:1] O=C(Nc1cc(F)cc(F)c1)[*:1]
C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)C[*:1] C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CC[C@H](C1)[*:1]
C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)[*:1] C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CC[C@@H](C1)C[*:1]
CSCC[C@H](NC(N)=O)C(=O)NCc1sccc1C CSCC[*:1] Cc1ccsc1CNC(=O)[C@@H](NC(N)=O)[*:1]
CSCC[C@H](NC(N)=O)C(=O)NCc1sccc1C NC(=O)N[*:1] CSCC[C@H](C(=O)NCc1sccc1C)[*:1]
CSCC[C@H](NC(N)=O)C(=O)NCc1sccc1C Cc1ccsc1[*:1] CSCC[C@H](NC(N)=O)C(=O)NC[*:1]
CSCC[C@H](NC(N)=O)C(=O)NCc1sccc1C CSC[*:1] Cc1ccsc1CNC(=O)[C@H](C[*:1])NC(N)=O
Cc1nnc2n1CCC[C@@H]2NC(=O)N[C@H](C)[C@@H](C)N1CCOCC1 C1CN(CCO1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N[C@H](C)[C@@H](C)[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)N[C@H](C)[C@@H](C)N1CCOCC1 C[C@@H](N1CCOCC1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N[C@H](C)[*:1]
CCSc1nnc2c(n1)O[C@H](c1c(OC)cc(OC)cc1OC)Nc1ccccc1-2 CCS[*:1] COc1cc(OC)c(c(c1)OC)[C@@H]1Nc2ccccc2-c2nnc(nc2O1)[*:1]
CC(C)CC/C([O-])=N/S(=O)(=O)N(C)Cc1ccccc1 CC(C)C[*:1] CN(Cc1ccccc1)S(=O)(=O)/N=C(\[O-])C[*:1]
CC(C)CC/C([O-])=N/S(=O)(=O)N(C)Cc1ccccc1 CC(C)CC[*:1] CN(Cc1ccccc1)S(=O)(=O)/N=C(\[O-])[*:1]
CC(C)CC/C([O-])=N/S(=O)(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)CC/C([O-])=N/S(=O)(=O)N(C)C[*:1]
CC(C)CC/C([O-])=N/S(=O)(=O)N(C)Cc1ccccc1 CC(C)[*:1] CN(Cc1ccccc1)S(=O)(=O)/N=C(\[O-])CC[*:1]
Cc1ccc2c(CC(=O)NCC(C)C)coc2c1C CC(C)[*:1] Cc1ccc2c(coc2c1C)CC(=O)NC[*:1]
Cc1ccc2c(CC(=O)NCC(C)C)coc2c1C CC(C)C[*:1] Cc1ccc2c(coc2c1C)CC(=O)N[*:1]
O=C(C[NH+]1CCC(OCc2ccc(F)cc2)CC1)NC1CCOCC1 Fc1ccc(cc1)C[*:1] O=C(C[NH+]1CCC(CC1)O[*:1])NC1CCOCC1
O=C(C[NH+]1CCC(OCc2ccc(F)cc2)CC1)NC1CCOCC1 C1CC(CCO1)[*:1] O=C(C[NH+]1CCC(CC1)OCc1ccc(F)cc1)N[*:1]
O=C(C[NH+]1CCC(OCc2ccc(F)cc2)CC1)NC1CCOCC1 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)OC[*:1])NC1CCOCC1
C=CCOc1cccc(C(=O)N[C@@H](c2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] C=CCOc1cccc(c1)C(=O)N[C@@H](C(C)C)[*:1]
C=CCOc1cccc(C(=O)N[C@@H](c2ccccc2)C(C)C)c1 C=CCO[*:1] CC(C)[C@@H](NC(=O)c1cccc(c1)[*:1])c1ccccc1
C=CCOc1cccc(C(=O)N[C@@H](c2ccccc2)C(C)C)c1 CC(C)[*:1] C=CCOc1cccc(c1)C(=O)N[C@@H](c1ccccc1)[*:1]
C=CCOc1cccc(C(=O)N[C@@H](c2ccccc2)C(C)C)c1 C=CC[*:1] CC(C)[C@@H](NC(=O)c1cccc(c1)O[*:1])c1ccccc1
O=C(CCSc1ccccc1F)N[C@H](CO)C(=O)[O-] O=C([O-])[*:1] O=C(CCSc1ccccc1F)N[C@H](CO)[*:1]
CC(C)OC(=O)[C@@H](C)N(C)C(=O)[C@@H](c1c(F)cccc1F)N(C)C CN(C)[*:1] CC(C)OC(=O)[C@@H](C)N(C)C(=O)[C@@H](c1c(F)cccc1F)[*:1]
CC(C)OC(=O)[C@@H](C)N(C)C(=O)[C@@H](c1c(F)cccc1F)N(C)C CC(C)OC(=O)[C@@H](C)[*:1] CN(C)[C@@H](C(=O)N(C)[*:1])c1c(F)cccc1F
CC(C)OC(=O)[C@@H](C)N(C)C(=O)[C@@H](c1c(F)cccc1F)N(C)C Fc1cccc(F)c1[*:1] CC(C)OC(=O)[C@@H](C)N(C)C(=O)[C@@H](N(C)C)[*:1]
CC(C)OC(=O)[C@@H](C)N(C)C(=O)[C@@H](c1c(F)cccc1F)N(C)C CC(C)OC(=O)[*:1] C[C@@H](N(C)C(=O)[C@@H](c1c(F)cccc1F)N(C)C)[*:1]
CC(C)OC(=O)[C@@H](C)N(C)C(=O)[C@@H](c1c(F)cccc1F)N(C)C CC(C)[*:1] C[C@H](C(=O)O[*:1])N(C)C(=O)[C@@H](c1c(F)cccc1F)N(C)C
CC[C@@H](CSC)N(C)C(=O)NCCc1cccc(F)c1 CSC[*:1] CC[C@@H](N(C)C(=O)NCCc1cccc(F)c1)[*:1]
CC1(C)CCC[C@@H]1Nc1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] CC1(C)CCC[C@@H]1Nc1cccc(F)c1[*:1]
C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)[*:1]
O=C([O-])[C@H]1CC[C@@H](C(F)F)[NH2+]1 FC(F)[*:1] O=C([O-])[C@H]1CC[C@@H]([NH2+]1)[*:1]
O=C([O-])[C@H]1CC[C@@H](C(F)F)[NH2+]1 O=C([O-])[*:1] FC(F)[C@@H]1CC[C@@H]([NH2+]1)[*:1]
C[NH+]1CCN(C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)[O-])CC1 O=C([O-])[*:1] C[NH+]1CCN(CC1)C(=O)[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1[*:1]
CSC1(C[NH2+][C@H](C)c2sc(C(C)C)nc2C)CCOCC1 CC(C)[*:1] CSC1(CCOCC1)C[NH2+][C@H](C)c1sc(nc1C)[*:1]
c1cn(CC2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)nn1 c1cn(C[*:1])nn1 c1cc(cs1)-c1ncc(C[NH+]2CCC(CC2)[*:1])s1
c1cn(CC2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)nn1 c1cn(nn1)[*:1] c1cc(cs1)-c1ncc(C[NH+]2CCC(CC2)C[*:1])s1
c1cn(CC2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)nn1 c1cc(cs1)[*:1] c1cn(CC2CC[NH+](CC2)Cc2cnc(s2)[*:1])nn1
Cc1nc(-c2cccc(C(N)=O)c2)sc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(sc1[*:1])-c1cccc(c1)C(N)=O
Cc1nc(-c2cccc(C(N)=O)c2)sc1-c1ccc(F)cc1 NC(=O)[*:1] Cc1nc(sc1-c1ccc(F)cc1)-c1cccc(c1)[*:1]
Nc1nc(NCCOCC(F)(F)F)cc(-n2cccn2)n1 FC(F)(F)C[*:1] Nc1nc(cc(n1)-n1cccn1)NCCO[*:1]
Nc1nc(NCCOCC(F)(F)F)cc(-n2cccn2)n1 FC(F)(F)CO[*:1] Nc1nc(cc(n1)-n1cccn1)NCC[*:1]
Nc1nc(NCCOCC(F)(F)F)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Nc1nc(cc(n1)[*:1])NCCOCC(F)(F)F
Nc1nc(NCCOCC(F)(F)F)cc(-n2cccn2)n1 FC(F)(F)[*:1] Nc1nc(cc(n1)-n1cccn1)NCCOC[*:1]
Nc1nc(NCCOCC(F)(F)F)cc(-n2cccn2)n1 FC(F)(F)COC[*:1] Nc1nc(cc(n1)-n1cccn1)NC[*:1]
CN(C)c1ncc(C(=O)NCCc2nc3ccccc3n2C)cn1 CN(C)[*:1] Cn1c(CCNC(=O)c2cnc(nc2)[*:1])nc2ccccc21
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1F)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1F)[*:1]
CCc1nn(C)cc1NC(=O)[C@H](C)NC(=O)CC1CCCCC1 C1CCC(CC1)C[*:1] CCc1nn(C)cc1NC(=O)[C@H](C)NC(=O)[*:1]
CCc1nn(C)cc1NC(=O)[C@H](C)NC(=O)CC1CCCCC1 C1CCC(CC1)[*:1] CCc1nn(C)cc1NC(=O)[C@H](C)NC(=O)C[*:1]
CCNc1cc[nH+]c(CN2CCC[C@@H]([NH+](C)C)C2)c1 CCN[*:1] C[NH+](C)[C@@H]1CCCN(Cc2cc(cc[nH+]2)[*:1])C1
O=C(CSc1nc2c(oc3ccccc32)c(=O)n1C[C@H]1CCCO1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(CSc1nc2c(oc3ccccc32)c(=O)n1C[C@H]1CCCO1)N[*:1]
O=C(CSc1nc2c(oc3ccccc32)c(=O)n1C[C@H]1CCCO1)Nc1ccccc1Cl O=C(Nc1ccccc1Cl)[*:1] O=c1c2oc3ccccc3c2nc(SC[*:1])n1C[C@H]1CCCO1
CO[C@H](C(=O)N[C@H](C)c1ccc(Cl)s1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)N[C@H](C)c1ccc(Cl)s1)[*:1]
CO[C@H](C(=O)N[C@H](C)c1ccc(Cl)s1)c1ccccc1 Clc1ccc(s1)[*:1] CO[C@H](C(=O)N[C@H](C)[*:1])c1ccccc1
C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)[*:1]
O=[N+]([O-])c1cccc(-c2nc(CCNc3ccc(F)cc3)n[nH]2)c1 O=[N+]([O-])[*:1] Fc1ccc(cc1)NCCc1n[nH]c(n1)-c1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(-c2nc(CCNc3ccc(F)cc3)n[nH]2)c1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)-c1nc(CCN[*:1])n[nH]1
O=[N+]([O-])c1cccc(-c2nc(CCNc3ccc(F)cc3)n[nH]2)c1 Fc1ccc(cc1)N[*:1] O=[N+]([O-])c1cccc(c1)-c1nc(CC[*:1])n[nH]1
CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](CC)Sc2ccccc2)C1 CCNS(=O)(=O)[*:1] CC[C@@H](Sc1ccccc1)C(=O)N1CC[C@@H](C1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](CC)Sc2ccccc2)C1 c1ccc(cc1)[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)[C@@H](CC)S[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](CC)Sc2ccccc2)C1 c1ccc(cc1)S[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)[C@@H](CC)[*:1]
CCc1nsc(N2CCC([NH2+]CCO)CC2)n1 OCC[*:1] CCc1nsc(n1)N1CCC(CC1)[NH2+][*:1]
C/C(=N\N=C1\NC(=O)[C@H](Cc2cccc(C)c2)S1)c1ccccc1 Cc1cccc(c1)C[*:1] C/C(=N\N=C1\NC(=O)[C@H](S1)[*:1])c1ccccc1
C/C(=N\N=C1\NC(=O)[C@H](Cc2cccc(C)c2)S1)c1ccccc1 Cc1cccc(c1)[*:1] C/C(=N\N=C1\NC(=O)[C@H](C[*:1])S1)c1ccccc1
C/C(=N\N=C1\NC(=O)[C@H](Cc2cccc(C)c2)S1)c1ccccc1 c1ccc(cc1)[*:1] CC(=N/N=C1/NC(=O)[C@H](Cc2cccc(C)c2)S1)[*:1]
CC(=O)c1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 O=[N+]([O-])[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)Cc1ccccc1[*:1]
CC(=O)c1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 CC(=O)[*:1] O=[N+]([O-])c1ccccc1CN1CCN(CC1)c1ccc(cc1)[*:1]
COCCNc1nnc([S@@](=O)Cc2ccc(C#N)cc2)s1 COCCN[*:1] N#Cc1ccc(cc1)C[S@](=O)c1nnc(s1)[*:1]
COCCNc1nnc([S@@](=O)Cc2ccc(C#N)cc2)s1 COCC[*:1] N#Cc1ccc(cc1)C[S@](=O)c1nnc(N[*:1])s1
COCCNc1nnc([S@@](=O)Cc2ccc(C#N)cc2)s1 COC[*:1] N#Cc1ccc(cc1)C[S@](=O)c1nnc(NC[*:1])s1
O[C@H]1c2ccccc2C[C@@H]1CCC(F)(F)F FC(F)(F)[*:1] O[C@H]1c2ccccc2C[C@@H]1CC[*:1]
O[C@H]1c2ccccc2C[C@@H]1CCC(F)(F)F FC(F)(F)C[*:1] O[C@H]1c2ccccc2C[C@@H]1C[*:1]
O=C(Nc1ccc(OC(=O)c2cccc(NC(=O)C3CC3)c2)cc1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(Oc1ccc(cc1)[*:1])c1cccc(c1)NC(=O)C1CC1
O=C(Nc1ccc(OC(=O)c2cccc(NC(=O)C3CC3)c2)cc1)c1ccccc1 C1CC1[*:1] O=C(Nc1ccc(cc1)OC(=O)c1cccc(c1)NC(=O)[*:1])c1ccccc1
O=C(Nc1ccc(OC(=O)c2cccc(NC(=O)C3CC3)c2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Oc1ccc(cc1)NC(=O)[*:1])c1cccc(c1)NC(=O)C1CC1
O=C(Nc1ccc(OC(=O)c2cccc(NC(=O)C3CC3)c2)cc1)c1ccccc1 O=C(N[*:1])C1CC1 O=C(Nc1ccc(cc1)OC(=O)c1cccc(c1)[*:1])c1ccccc1
COC(=O)Cn1c(Cc2ccccc2Cl)nc2ccccc21 COC(=O)[*:1] Clc1ccccc1Cc1nc2ccccc2n1C[*:1]
COC(=O)Cn1c(Cc2ccccc2Cl)nc2ccccc21 COC(=O)C[*:1] Clc1ccccc1Cc1nc2ccccc2n1[*:1]
COC(=O)Cn1c(Cc2ccccc2Cl)nc2ccccc21 Clc1ccccc1[*:1] COC(=O)Cn1c(C[*:1])nc2ccccc21
N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1n[nH]c(N)c1C#N Clc1cccc(Cl)c1[*:1] N#C/C(=C\c1ccc(o1)[*:1])c1n[nH]c(N)c1C#N
N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1n[nH]c(N)c1C#N N#Cc1c(n[nH]c1N)[*:1] N#C/C(=C\c1ccc(o1)-c1c(Cl)cccc1Cl)[*:1]
COc1ccccc1C(=O)NCC(=O)N(C)Cc1ccc(Br)s1 Brc1ccc(s1)[*:1] COc1ccccc1C(=O)NCC(=O)N(C)C[*:1]
COc1ccccc1C(=O)NCC(=O)N(C)Cc1ccc(Br)s1 Brc1ccc(C[*:1])s1 COc1ccccc1C(=O)NCC(=O)N(C)[*:1]
NC(=O)c1ccc(C(=O)[O-])c(F)c1 NC(=O)[*:1] O=C([O-])c1ccc(cc1F)[*:1]
NC(=O)c1ccc(C(=O)[O-])c(F)c1 O=C([O-])[*:1] NC(=O)c1ccc(c(F)c1)[*:1]
Cc1ccc(-c2noc(CS[C@H](C)C(=O)Nc3ccccc3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](SCc1nc(no1)[*:1])C(=O)Nc1ccccc1
Cc1ccc(-c2noc(CS[C@H](C)C(=O)Nc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(CS[C@H](C)C(=O)N[*:1])n1
CC(C)(C)N1C[C@H](C(=O)NCc2ccccn2)CC1=O c1ccc(nc1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)C(=O)NC[*:1]
CC(C)(C)N1C[C@H](C(=O)NCc2ccccn2)CC1=O CC(C)(C)[*:1] O=C(NCc1ccccn1)[C@@H]1CC(=O)N(C1)[*:1]
CCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 CCC[*:1] C[NH+]1CCN(CC1)c1cccc(Cl)c1C[NH2+][*:1]
O=C(NCc1ccc(Br)cc1)[C@@H]1CCCN(c2nccnc2Oc2ccccc2)C1 Brc1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nccnc1Oc1ccccc1
O=C(NCc1ccc(Br)cc1)[C@@H]1CCCN(c2nccnc2Oc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCc1ccc(Br)cc1)[C@@H]1CCCN(C1)c1nccnc1O[*:1]
O=C(NCc1ccc(Br)cc1)[C@@H]1CCCN(c2nccnc2Oc2ccccc2)C1 c1ccc(cc1)O[*:1] O=C(NCc1ccc(Br)cc1)[C@@H]1CCCN(C1)c1nccnc1[*:1]
O=C(NCc1ccc(Br)cc1)[C@@H]1CCCN(c2nccnc2Oc2ccccc2)C1 Brc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nccnc1Oc1ccccc1
COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2)cc1 COc1ccc(cc1)[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)c1c(N)n(C)c(=O)n(C)c1=O
CCc1ccc2nc(N(Cc3ccco3)C(=O)[C@@H]3COc4ccccc4O3)sc2c1 c1coc(c1)C[*:1] CCc1ccc2nc(sc2c1)N(C(=O)[C@@H]1COc2ccccc2O1)[*:1]
CCc1ccc2nc(N(Cc3ccco3)C(=O)[C@@H]3COc4ccccc4O3)sc2c1 c1coc(c1)[*:1] CCc1ccc2nc(sc2c1)N(C[*:1])C(=O)[C@@H]1COc2ccccc2O1
CC(C)Cn1c(=O)c(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc2ccc(F)cc21 CC(C)[*:1] O=c1c(cc2ccc(F)cc2n1C[*:1])C[NH2+][C@@H]1CCS(=O)(=O)C1
CC(C)Cn1c(=O)c(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc2ccc(F)cc21 CC(C)C[*:1] O=c1c(cc2ccc(F)cc2n1[*:1])C[NH2+][C@@H]1CCS(=O)(=O)C1
O=C(N[C@@H]1CCCc2ccccc21)c1cccnc1-n1cncn1 c1ncn(n1)[*:1] O=C(N[C@@H]1CCCc2ccccc21)c1cccnc1[*:1]
C/C=C/C[S@@](=O)CC(=O)Nc1ccccc1CC C/C=C/C[*:1] CCc1ccccc1NC(=O)C[S@](=O)[*:1]
C/C=C/C[S@@](=O)CC(=O)Nc1ccccc1CC CC=C[*:1] CCc1ccccc1NC(=O)C[S@](=O)C[*:1]
C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC1CCC2(CC1)OCCO2 Fc1ccc(F)c(c1)[*:1] C[C@H](N(C)C(=O)NC1CCC2(CC1)OCCO2)[*:1]
Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc32)cc1 Cc1ccc(cc1)C[*:1] N#Cc1ccccc1S(=O)(=O)N1CCC(CC1)c1nc2c(nnn2[*:1])c(=O)[nH]1
Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc32)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccccc1S(=O)(=O)N1CCC(CC1)c1nc2c(nnn2C[*:1])c(=O)[nH]1
Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(S(=O)(=O)c5ccccc5C#N)CC4)nc32)cc1 N#Cc1ccccc1[*:1] Cc1ccc(cc1)Cn1nnc2c(=O)[nH]c(nc21)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(F)c(F)c1
CC(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1 Fc1ccc(cc1F)[*:1] CC(C)c1ccc(cc1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(F)c(F)c1
COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2c1 c1ccc(cc1)[*:1] COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(C3)S(=O)(=O)[*:1])c2c1
NNC(=O)CSc1cc(F)ccc1N NNC(=O)[*:1] Nc1ccc(F)cc1SC[*:1]
CC(=O)c1c(F)cccc1N1CCO[C@H](c2ccccc2Br)C1 CC(=O)[*:1] Fc1cccc(c1[*:1])N1CCO[C@@H](C1)c1ccccc1Br
CC(=O)c1c(F)cccc1N1CCO[C@H](c2ccccc2Br)C1 Brc1ccccc1[*:1] CC(=O)c1c(F)cccc1N1CCO[C@H](C1)[*:1]
Cc1c([C@@H](C)NC(=O)CCCn2ccnn2)cnn1-c1ccc(F)cc1 c1cn(CC[*:1])nn1 Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NC(=O)C[*:1]
Cc1c([C@@H](C)NC(=O)CCCn2ccnn2)cnn1-c1ccc(F)cc1 c1cn(CCC[*:1])nn1 Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NC(=O)[*:1]
Cc1c([C@@H](C)NC(=O)CCCn2ccnn2)cnn1-c1ccc(F)cc1 c1cn(C[*:1])nn1 Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NC(=O)CC[*:1]
Cc1c([C@@H](C)NC(=O)CCCn2ccnn2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC(=O)CCCn1ccnn1
Cc1c([C@@H](C)NC(=O)CCCn2ccnn2)cnn1-c1ccc(F)cc1 c1cn(nn1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NC(=O)CCC[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(F)c1C Cc1c(F)cccc1[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[*:1]
O=C1Cc2cc(NC(=O)[C@H]3CCCO3)ccc2N1 C1CO[C@H](C1)[*:1] O=C1Cc2cc(ccc2N1)NC(=O)[*:1]
COC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1cccc(Cl)c1 COC(=O)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1-c1cccc(Cl)c1)[*:1]
COC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1[*:1]
COC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1cccc(Cl)c1 c1coc(c1)[*:1] COC(=O)[C@H](C)Sc1nnc(n1-c1cccc(Cl)c1)[*:1]
COC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1cccc(Cl)c1 COC(=O)[C@H](C)S[*:1] Clc1cccc(c1)-n1c(nnc1[*:1])-c1ccco1
COC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1cccc(Cl)c1 COC(=O)[C@H](C)[*:1] Clc1cccc(c1)-n1c(nnc1-c1ccco1)S[*:1]
CC(C)=CCc1cccc2c(C(=O)[O-])c[nH]c12 CC(C)=C[*:1] O=C([O-])c1c[nH]c2c(cccc12)C[*:1]
CC(C)=CCc1cccc2c(C(=O)[O-])c[nH]c12 CC(C)=CC[*:1] O=C([O-])c1c[nH]c2c(cccc12)[*:1]
CC(C)=CCc1cccc2c(C(=O)[O-])c[nH]c12 O=C([O-])[*:1] CC(C)=CCc1cccc2c(c[nH]c12)[*:1]
CCC[NH+]1CCC(NC(=O)N(Cc2ccccc2)Cc2ccco2)CC1 c1ccc(cc1)[*:1] CCC[NH+]1CCC(CC1)NC(=O)N(Cc1ccco1)C[*:1]
CCC[NH+]1CCC(NC(=O)N(Cc2ccccc2)Cc2ccco2)CC1 c1coc(c1)C[*:1] CCC[NH+]1CCC(CC1)NC(=O)N(Cc1ccccc1)[*:1]
CCC[NH+]1CCC(NC(=O)N(Cc2ccccc2)Cc2ccco2)CC1 c1coc(c1)[*:1] CCC[NH+]1CCC(CC1)NC(=O)N(Cc1ccccc1)C[*:1]
CCC[NH+]1CCC(NC(=O)N(Cc2ccccc2)Cc2ccco2)CC1 c1ccc(cc1)C[*:1] CCC[NH+]1CCC(CC1)NC(=O)N(Cc1ccco1)[*:1]
COc1ccc(-n2cc([C@H](C)Nc3nccc(C)n3)cn2)cc1 Cc1ccnc(n1)[*:1] COc1ccc(cc1)-n1cc(cn1)[C@H](C)N[*:1]
C[C@@H](NC(=O)NCCc1cc(F)cc(F)c1)[C@@H](O)c1ccc(Cl)cc1 Fc1cc(F)cc(c1)[*:1] C[C@@H](NC(=O)NCC[*:1])[C@@H](O)c1ccc(Cl)cc1
C[C@@H](NC(=O)NCCc1cc(F)cc(F)c1)[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCCc1cc(F)cc(F)c1)[C@@H](O)[*:1]
O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CC[NH+](Cc2cccnc2)CC1 c1cncc(c1)[*:1] O=C(c1cn(nn1)C(c1ccccc1)c1ccccc1)N1CC[NH+](CC1)C[*:1]
O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CC[NH+](Cc2cccnc2)CC1 c1ccc(cc1)[*:1] O=C(c1cn(nn1)C(c1ccccc1)[*:1])N1CC[NH+](CC1)Cc1cccnc1
O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CC[NH+](Cc2cccnc2)CC1 c1cncc(c1)C[*:1] O=C(c1cn(nn1)C(c1ccccc1)c1ccccc1)N1CC[NH+](CC1)[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccc(F)cc3)n2)cc1 CC(=O)NC[*:1] O=C(CCc1ccc(F)cc1)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)CC[*:1] CC(=O)NCc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)C[*:1] CC(=O)NCc1ccc(cc1)-c1csc(n1)NC(=O)C[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] CC(=O)NCc1ccc(cc1)-c1csc(n1)NC(=O)CC[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccc(F)cc3)n2)cc1 CC(=O)N[*:1] O=C(CCc1ccc(F)cc1)Nc1nc(cs1)-c1ccc(cc1)C[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)/C=C\N(C)C CN(C)C=C[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)/C=C\N(C)C CN(C)[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)C=C[*:1]
O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(NCc1ccc2OCOc2c1)c1ccccc1NC(=O)[*:1]
O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 c1cc2OCOc2cc1C[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1ccc(Cl)c(Cl)c1
O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 c1cc2OCOc2cc1[*:1] O=C(Nc1ccccc1C(=O)NC[*:1])c1ccc(Cl)c(Cl)c1
COC[C@@]1(C)NC(=O)N(CN2CCc3c(F)ccc(F)c3C2)C1=O COC[*:1] C[C@]1(NC(=O)N(CN2CCc3c(F)ccc(F)c3C2)C1=O)[*:1]
COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1F Fc1ccccc1[*:1] COc1ccccc1NC(=O)N(Cc1ccccc1)C[*:1]
COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1F COc1ccccc1[*:1] O=C(N[*:1])N(Cc1ccccc1)Cc1ccccc1F
COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1F c1ccc(cc1)[*:1] COc1ccccc1NC(=O)N(Cc1ccccc1F)C[*:1]
COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1F c1ccc(cc1)C[*:1] COc1ccccc1NC(=O)N(Cc1ccccc1F)[*:1]
COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1F Fc1ccccc1C[*:1] COc1ccccc1NC(=O)N(Cc1ccccc1)[*:1]
CS[C@H]1CC[C@@H](NC(=O)NNC(=O)Cn2nc(C)cc2C)C1 Cc1cc(C)n(n1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)NNC(=O)C[*:1]
COc1cc2c(cc1OC)N(CN1CCCN(c3ccc(C(F)(F)F)cn3)CC1)C(=O)C2=O FC(F)(F)[*:1] COc1cc2C(=O)C(=O)N(CN3CCCN(CC3)c3ccc(cn3)[*:1])c2cc1OC
COc1cc2c(cc1OC)N(CN1CCCN(c3ccc(C(F)(F)F)cn3)CC1)C(=O)C2=O FC(F)(F)c1ccc(nc1)[*:1] COc1cc2C(=O)C(=O)N(CN3CCCN(CC3)[*:1])c2cc1OC
O=C1CC[C@@]2(CCOC2)CN1Cc1ccccc1OC(F)(F)F FC(F)(F)[*:1] O=C1CC[C@@]2(CCOC2)CN1Cc1ccccc1O[*:1]
O=C1CC[C@@]2(CCOC2)CN1Cc1ccccc1OC(F)(F)F FC(F)(F)O[*:1] O=C1CC[C@@]2(CCOC2)CN1Cc1ccccc1[*:1]
Cc1ccnc(NC2(CC(=O)[O-])CCC2)n1 O=C([O-])[*:1] Cc1ccnc(n1)NC1(CCC1)C[*:1]
Cc1ccnc(NC2(CC(=O)[O-])CCC2)n1 O=C([O-])C[*:1] Cc1ccnc(n1)NC1(CCC1)[*:1]
COC(=O)[C@H](Oc1ccc2c(C)cc(=O)oc2c1)c1ccccc1 COC(=O)[*:1] Cc1cc(=O)oc2cc(ccc12)O[C@H](c1ccccc1)[*:1]
COC(=O)[C@H](Oc1ccc2c(C)cc(=O)oc2c1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](Oc1ccc2c(C)cc(=O)oc2c1)[*:1]
Cc1csc(N2CCN(C(=O)NCc3cccc(F)c3)CC2)n1 Fc1cccc(c1)[*:1] Cc1csc(n1)N1CCN(CC1)C(=O)NC[*:1]
Cc1csc(N2CCN(C(=O)NCc3cccc(F)c3)CC2)n1 Cc1csc(n1)[*:1] O=C(NCc1cccc(F)c1)N1CCN(CC1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 N#CC[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N(C[*:1])c1ccc2OCCOc2c1
Cc1ccc(O[C@@H](C)C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)N(CCC#N)c1ccc2OCCOc2c1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 N#CCC[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N(c1ccc2OCCOc2c1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N(CCC#N)c1ccc2OCCOc2c1
C/C(=N/NS(=O)(=O)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 c1ccc(cc1)[*:1] C/C(=N/NS(=O)(=O)[*:1])c1cccc(c1)NC(=O)C1CCCCC1
C/C(=N/NS(=O)(=O)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] C/C(=N/NS(=O)(=O)c1ccccc1)c1cccc(c1)NC(=O)[*:1]
C/C(=N/NS(=O)(=O)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 O=C(N[*:1])C1CCCCC1 C/C(=N/NS(=O)(=O)c1ccccc1)c1cccc(c1)[*:1]
O=C1OC(c2ccccc2)=N/C1=C\Nc1ccc(Cl)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C1OC(=N/C1=C\Nc1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
O=C1OC(c2ccccc2)=N/C1=C\Nc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C1OC(=N/C1=C\Nc1ccc(Cl)c(c1)[*:1])c1ccccc1
Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)C4CC4)CC3)nn2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)c1cn(nn1)[*:1])C1CC1
Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)C4CC4)CC3)nn2)cc1 C1CC1[*:1] Cc1ccc(cc1)-n1cc(nn1)C(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)C4CC4)CC3)nn2)cc1 O=C(N[*:1])C1CC1 Cc1ccc(cc1)-n1cc(nn1)C(=O)N1CCC(CC1)[*:1]
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)/C=C/c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CO[C@@H](C)C(=O)Nc1cccc(c1)NC(=O)C=C[*:1]
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)/C=C/c2cccc(F)c2)c1 CO[C@@H](C)C(=O)N[*:1] O=C(/C=C/c1cccc(F)c1)Nc1cccc(c1)[*:1]
Cn1c(Cl)cnc1C[NH+](CCO)CCCO OCC[*:1] Cn1c(Cl)cnc1C[NH+](CCO)C[*:1]
Cn1c(Cl)cnc1C[NH+](CCO)CCCO OCCC[*:1] Cn1c(Cl)cnc1C[NH+](CCO)[*:1]
Cn1c(Cl)cnc1C[NH+](CCO)CCCO OCC[*:1] Cn1c(Cl)cnc1C[NH+](CCCO)[*:1]
O=C(Cc1c(F)cccc1F)N1CCC[C@H]([NH+]2CCCCCC2)C1 Fc1cccc(F)c1[*:1] O=C(C[*:1])N1CCC[C@@H](C1)[NH+]1CCCCCC1
CCCC(=[NH2+])Nc1cc(OC)ccc1F CCC[*:1] COc1ccc(F)c(c1)NC(=[NH2+])[*:1]
Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCO[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)N(C)CC(C)(C)[*:1]
CN([C@@H](C[NH3+])c1cccs1)[C@@H]1CCSC1 c1csc(c1)[*:1] CN([C@@H](C[NH3+])[*:1])[C@@H]1CCSC1
CN([C@@H](C[NH3+])c1cccs1)[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] CN([C@@H](C[NH3+])c1cccs1)[*:1]
CC(=O)N1CCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCCCCCC1 C1CCCN(CCC1)[*:1] CC(=O)N1CCC[C@H]1C(=O)NCc1ccc[nH+]c1[*:1]
CC(=O)N1CCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCCCCCC1 CC(=O)N1CCC[C@@H]1[*:1] O=C(NCc1ccc[nH+]c1N1CCCCCCC1)[*:1]
CC(C)=C/C([O-])=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)=C/C([O-])=N/S(=O)(=O)c1cccc(c1)[*:1]
CC(C)=C/C([O-])=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 CC(C)=C[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)/N=C(\[O-])[*:1]
O=C1CCC[C@H]1CCS(=O)(=O)c1ccc(F)cc1F O=C1CCC[C@@H]1[*:1] O=S(=O)(CC[*:1])c1ccc(F)cc1F
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@](C)(CO)C1CC1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N[C@](C)(CO)C1CC1)C(C)(C)[*:1]
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@](C)(CO)C1CC1 C1CC1[*:1] Cc1nc(sc1C(=O)N[C@](C)(CO)[*:1])C(C)(C)c1ccccc1
NC(=O)[C@@H]1COCCN1C(=O)c1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1COCCN1C(=O)c1cnn(n1)[*:1]
NC(=O)[C@@H]1COCCN1C(=O)c1cnn(-c2ccccc2)n1 NC(=O)[*:1] O=C(c1cnn(n1)-c1ccccc1)N1CCOC[C@H]1[*:1]
C[NH+](Cc1csc(-c2ccccc2)n1)Cc1nc(-c2cnccn2)no1 c1cnc(cn1)[*:1] C[NH+](Cc1csc(n1)-c1ccccc1)Cc1nc(no1)[*:1]
C[NH+](Cc1csc(-c2ccccc2)n1)Cc1nc(-c2cnccn2)no1 c1ccc(cc1)[*:1] C[NH+](Cc1csc(n1)[*:1])Cc1nc(no1)-c1cnccn1
CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C3CCC3)s2)[C@H]1c1ccc2c(c1)OCO2 C1CC(C1)[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(s2)[*:1])[C@H]1c1ccc2OCOc2c1
CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C3CCC3)s2)[C@H]1c1ccc2c(c1)OCO2 C1CC(C1)c1nnc(s1)[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)N[*:1])[C@H]1c1ccc2OCOc2c1
CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C3CCC3)s2)[C@H]1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(s2)C2CCC2)[C@@H]1[*:1]
CCOC(=O)[C@@H](CC)c1nnc(C)n1C(C)C CCOC(=O)[*:1] CC[C@@H](c1nnc(C)n1C(C)C)[*:1]
CCOC(=O)[C@@H](CC)c1nnc(C)n1C(C)C CC(C)[*:1] CCOC(=O)[C@@H](CC)c1nnc(C)n1[*:1]
Cc1ccnc(C(=O)c2ccc(OC(C)C)cc2)c1 CC(C)[*:1] Cc1ccnc(c1)C(=O)c1ccc(cc1)O[*:1]
Cc1ccnc(C(=O)c2ccc(OC(C)C)cc2)c1 CC(C)O[*:1] Cc1ccnc(c1)C(=O)c1ccc(cc1)[*:1]
Oc1cccc([C@@H](O)CNCc2ccncc2)c1 c1cc(ccn1)[*:1] Oc1cccc(c1)[C@@H](O)CNC[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(-n2cnnn2)c1 c1nnnn1[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(c1)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(-n2cnnn2)c1 Cc1ccc(Cl)cc1[*:1] C[C@@H](Oc1cccc(c1)-n1cnnn1)C(=O)N[*:1]
Cc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(cc1C(F)(F)F)[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)COc1ccc(cc1C(F)(F)F)[*:1]
Cc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(=O)COc1ccc(cc1[*:1])[N+](=O)[O-]
COc1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)cc1C O=C1CCC(=O)N1[*:1] COc1ccc(cc1C)-c1csc(n1)NC(=O)c1cccc(c1)[*:1]
COc1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)cc1C COc1ccc(cc1C)[*:1] O=C(Nc1nc(cs1)[*:1])c1cccc(c1)N1C(=O)CCC1=O
O=C(Nc1cccc(COCC2CC2)c1)C(=O)NC1CCCC1 C1CC1C[*:1] O=C(Nc1cccc(c1)CO[*:1])C(=O)NC1CCCC1
O=C(Nc1cccc(COCC2CC2)c1)C(=O)NC1CCCC1 C1CC1COC[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)NC1CCCC1
O=C(Nc1cccc(COCC2CC2)c1)C(=O)NC1CCCC1 C1CC1CO[*:1] O=C(Nc1cccc(c1)C[*:1])C(=O)NC1CCCC1
O=C(Nc1cccc(COCC2CC2)c1)C(=O)NC1CCCC1 C1CC1[*:1] O=C(Nc1cccc(c1)COC[*:1])C(=O)NC1CCCC1
O=C(Nc1cccc(COCC2CC2)c1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)COCC1CC1)C(=O)N[*:1]
CCO[C@@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc(O)cc1 CCO[*:1] O=C1/C(=C/Nc2ccc(O)cc2)[C@@H](Oc2ccccc21)[*:1]
CCO[C@@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCO[C@@H]1Oc2ccccc2C(=O)/C1=C/N[*:1]
CCOC(=O)[C@H](Oc1ccc2c3c(c(=O)oc2c1C)CCC3)c1ccccc1 CCOC(=O)[*:1] Cc1c(ccc2c3CCCc3c(=O)oc12)O[C@H](c1ccccc1)[*:1]
CCOC(=O)[C@H](Oc1ccc2c3c(c(=O)oc2c1C)CCC3)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H](Oc1ccc2c3CCCc3c(=O)oc2c1C)[*:1]
CN1N=C(C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2c(F)cccc2Cl)CCC1=O Fc1cccc(Cl)c1[*:1] CN1N=C(CCC1=O)C(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1[*:1]
O=C1C[C@@]2(CCS(=O)(=O)C2)[C@H](c2ccccc2F)C(=O)N1 Fc1ccccc1[*:1] O=C1C[C@@]2(CCS(=O)(=O)C2)[C@H](C(=O)N1)[*:1]
C[C@@H]1[C@@H](NC(=O)c2ccncc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@@H]12 c1cc(ccn1)[*:1] C[C@@H]1[C@H](CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@@H]12)NC(=O)[*:1]
C[C@@H]1[C@@H](NC(=O)c2ccncc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@@H]12 O=C(N[*:1])c1ccncc1 C[C@H]1[C@@H]2[C@@H](O)[C@H](CC[C@@]2(C)CC[C@H]1[*:1])[C@H](C)C(=O)NCc1cccnc1
C[C@@H]1[C@@H](NC(=O)c2ccncc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@@H]12 c1cncc(c1)[*:1] C[C@@H]1[C@H](CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC[*:1])[C@H](O)[C@@H]12)NC(=O)c1ccncc1
C[C@@H]1[C@@H](NC(=O)c2ccncc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@@H]12 c1cncc(c1)C[*:1] C[C@@H]1[C@H](CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N[*:1])[C@H](O)[C@@H]12)NC(=O)c1ccncc1
C[C@@H]1[C@@H](NC(=O)c2ccncc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@@H]12 O=C(NCc1cccnc1)[*:1] C[C@@H]1[C@H](CC[C@]2(C)CC[C@@H]([C@H](O)[C@@H]12)[C@H](C)[*:1])NC(=O)c1ccncc1
O[C@@H](CN[C@@H]1CCSc2ccc(Cl)cc21)c1ccncc1 c1cc(ccn1)[*:1] O[C@@H](CN[C@@H]1CCSc2ccc(Cl)cc21)[*:1]
CCN(Cc1ccccn1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 c1ccc(C[*:1])nc1 CCN(C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1)[*:1]
CCN(Cc1ccccn1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1
CCN(Cc1ccccn1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CCN(Cc1ccccn1)C(=O)N[C@H](C)c1noc(n1)[*:1]
CCN(Cc1ccccn1)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CCN(Cc1ccccn1)C(=O)N[C@H](C)c1noc(C[*:1])n1
Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]C1CC1 Cc1ccccc1[*:1] Fc1ccc(c(F)c1)-n1cc(C[NH2+]C2CC2)c(n1)[*:1]
Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]C1CC1 Fc1ccc(c(F)c1)[*:1] Cc1ccccc1-c1nn(cc1C[NH2+]C1CC1)[*:1]
O=C(COc1ccc(I)cc1)c1c([O-])c2ccccc2oc1=O Ic1ccc(cc1)[*:1] O=C(CO[*:1])c1c([O-])c2ccccc2oc1=O
C[C@@H]1CC[C@H](CO)CN1c1ccc2nnc(-c3ccccc3F)n2n1 Fc1ccccc1[*:1] C[C@@H]1CC[C@H](CO)CN1c1ccc2nnc(n2n1)[*:1]
CCc1ccc(NC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1F O=S1(=O)CC[C@H](C1)[*:1] CCc1ccc(cc1F)NC(=O)N(CC)[*:1]
CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)cc1 CC[C@H](C)O[*:1] N#Cc1c(NC(=S)NC(=O)c2ccc(cc2)[*:1])sc2CCCc21
CCSc1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 CCS[*:1] O=C(Nc1nc2-c3ccccc3OCc2s1)c1ccc(cc1)[*:1]
Cn1nccc1CNC(=O)NC[C@@H]1CCC[C@H]1O Cn1nccc1[*:1] O=C(NC[C@@H]1CCC[C@H]1O)NC[*:1]
Cn1nccc1CNC(=O)NC[C@@H]1CCC[C@H]1O O[C@@H]1CCC[C@H]1[*:1] Cn1nccc1CNC(=O)NC[*:1]
C[C@@](O)(CNC(=O)NCc1cn2ccsc2n1)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@](O)(CNC(=O)NCc1cn2ccsc2n1)[*:1]
C[C@@](O)(CNC(=O)NCc1cn2ccsc2n1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@](O)(CNC(=O)NCc1cn2ccsc2n1)C[*:1]
C[C@@](O)(CNC(=O)NCc1cn2ccsc2n1)CN1CCOCC1 c1cn2cc(nc2s1)[*:1] C[C@@](O)(CNC(=O)NC[*:1])CN1CCOCC1
Cc1cc2nc(C(=O)NCc3ccc[nH+]c3N(C)C)cc(C)n2n1 CN(C)[*:1] Cc1cc2nc(cc(C)n2n1)C(=O)NCc1ccc[nH+]c1[*:1]
O=[N+]([O-])c1ccccc1OC[C@H]1CO1 C1O[C@H]1[*:1] O=[N+]([O-])c1ccccc1OC[*:1]
O=[N+]([O-])c1ccccc1OC[C@H]1CO1 C1O[C@H]1C[*:1] O=[N+]([O-])c1ccccc1O[*:1]
O=[N+]([O-])c1ccccc1OC[C@H]1CO1 O=[N+]([O-])[*:1] c1ccc(c(c1)OC[C@H]1CO1)[*:1]
Cc1ccc(NCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)C[*:1] Cc1ccc(NCC(=O)NNC(=O)[*:1])c(C)c1
Cc1ccc(NCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CN[*:1])NNC(=O)Cc1ccc(Cl)cc1
Cc1ccc(NCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(NCC(=O)NNC(=O)C[*:1])c(C)c1
COc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)CC(=O)N[*:1]
COc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 COc1ccccc1[*:1] O=C(CN1CCN(CC1)[*:1])Nc1ccc(Cl)cc1
Cc1cc(NCc2n[nH]c(=O)[nH]2)n2c(nc3ccccc32)c1C#N O=c1[nH]nc([nH]1)[*:1] Cc1cc(NC[*:1])n2c(nc3ccccc32)c1C#N
Cc1cc(NCc2n[nH]c(=O)[nH]2)n2c(nc3ccccc32)c1C#N O=c1[nH]nc(C[*:1])[nH]1 Cc1cc(N[*:1])n2c(nc3ccccc32)c1C#N
Cc1cc(NCc2n[nH]c(=O)[nH]2)n2c(nc3ccccc32)c1C#N O=c1[nH]nc(CN[*:1])[nH]1 Cc1cc(n2c(nc3ccccc32)c1C#N)[*:1]
COC(=O)c1ccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 COC(=O)[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
COC(=O)c1ccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(/C=N/NC(=O)c2nn(c(=O)c3ccccc23)[*:1])cc1
COC(=O)c1ccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(NN=C[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
COC(=O)c1ccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(/C=N/NC(=O)c2nn(C[*:1])c(=O)c3ccccc23)cc1
CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]nc1-c1ccccc1F Fc1ccccc1[*:1] CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]nc1[*:1]
CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]nc1-c1ccccc1F CC(C)(C)[*:1] O=C(NC[C@@H]1CCO[C@H]1[*:1])c1c[nH]nc1-c1ccccc1F
Cc1cc(NC(=O)CNc2ccccc2OC(F)(F)F)no1 Cc1cc(no1)[*:1] O=C(CNc1ccccc1OC(F)(F)F)N[*:1]
Cc1cc(NC(=O)CNc2ccccc2OC(F)(F)F)no1 FC(F)(F)[*:1] Cc1cc(no1)NC(=O)CNc1ccccc1O[*:1]
Cc1cc(NC(=O)CNc2ccccc2OC(F)(F)F)no1 FC(F)(F)O[*:1] Cc1cc(no1)NC(=O)CNc1ccccc1[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](NCC(=O)c2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)NCC(=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](NCC(=O)c2ccccn2)C1 CC(C)(C)[*:1] O=C(CN[C@@H]1CCCN(C1)C(=O)O[*:1])c1ccccn1
CCC[NH2+][C@H](CC(F)(F)F)[C@@H]1CCCc2cccnc21 FC(F)(F)C[*:1] CCC[NH2+][C@H]([C@@H]1CCCc2cccnc21)[*:1]
CCC[NH2+][C@H](CC(F)(F)F)[C@@H]1CCCc2cccnc21 FC(F)(F)[*:1] CCC[NH2+][C@H](C[*:1])[C@@H]1CCCc2cccnc21
CCC[NH2+][C@H](CC(F)(F)F)[C@@H]1CCCc2cccnc21 CCC[*:1] FC(F)(F)C[C@@H]([NH2+][*:1])[C@@H]1CCCc2cccnc21
Nc1cncnc1NCC1CCC1 C1CC(C1)[*:1] Nc1cncnc1NC[*:1]
CN(Cc1ccc(Br)s1)C(=O)NCc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CN(Cc1ccc(Br)s1)C(=O)NCc1cnn(c1)[*:1]
CN(Cc1ccc(Br)s1)C(=O)NCc1cnn(-c2ccccc2)c1 Brc1ccc(s1)[*:1] CN(C[*:1])C(=O)NCc1cnn(c1)-c1ccccc1
CN(Cc1ccc(Br)s1)C(=O)NCc1cnn(-c2ccccc2)c1 Brc1ccc(C[*:1])s1 CN(C(=O)NCc1cnn(c1)-c1ccccc1)[*:1]
CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1ccccc1OC COc1ccccc1[*:1] CCc1cc2cc(C)ccc2nc1SCC(=O)N[*:1]
COc1cccc([C@H](O)CN[C@@H](C)c2nc3ccc(Cl)cc3n2C)c1 COc1cccc(c1)[*:1] C[C@H](NC[C@@H](O)[*:1])c1nc2ccc(Cl)cc2n1C
CCc1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 C1CN(CCO1)[*:1] CCc1ccc(cc1)N1C(=O)C[C@H](C1=O)[*:1]
CC(C)(C)C(=O)NCC/C([O-])=N/S(=O)(=O)c1cc(Cl)sc1Cl CC(C)(C)[*:1] O=C(NCC/C([O-])=N/S(=O)(=O)c1cc(Cl)sc1Cl)[*:1]
CC(C)(C)C(=O)NCC/C([O-])=N/S(=O)(=O)c1cc(Cl)sc1Cl CC(C)(C)C(=O)N[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])c1cc(Cl)sc1Cl
CC(C)(C)C(=O)NCC/C([O-])=N/S(=O)(=O)c1cc(Cl)sc1Cl Clc1cc(c(Cl)s1)[*:1] CC(C)(C)C(=O)NCC/C([O-])=N/S(=O)(=O)[*:1]
COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)cs2)cc(OC)c1OC Cc1csc(n1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
N#Cc1ccc(OCCCS)cc1 SCC[*:1] N#Cc1ccc(cc1)OC[*:1]
N#Cc1ccc(OCCCS)cc1 SCCC[*:1] N#Cc1ccc(cc1)O[*:1]
CCS(=O)(=O)N(c1ccccc1)C1Cc2ccccc2C1 c1ccc(cc1)[*:1] CCS(=O)(=O)N(C1Cc2ccccc2C1)[*:1]
CCc1nn(C)cc1NC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CCc1nn(C)cc1NC(=O)C1(C)CCN(CC1)C(=O)O[*:1]
CCc1nn(C)cc1NC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1 CCc1nn(C)cc1[*:1] CC(C)(C)OC(=O)N1CCC(C)(CC1)C(=O)N[*:1]
COc1cc(CN(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(CN(C)C2CC[NH+](C)CC2)c(cc1OC)[*:1]
Cc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)Cn1ncc(=O)c2ccccc21
C[C@H](CNC(=O)NNC(=O)Cc1ccncc1)Oc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] C[C@H](CNC(=O)NNC(=O)Cc1ccncc1)[*:1]
C[C@H](CNC(=O)NNC(=O)Cc1ccncc1)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CNC(=O)NNC(=O)Cc1ccncc1)O[*:1]
C[C@H](CNC(=O)NNC(=O)Cc1ccncc1)Oc1ccc(Cl)cc1 c1cc(ccn1)C[*:1] C[C@H](CNC(=O)NNC(=O)[*:1])Oc1ccc(Cl)cc1
C[C@H](CNC(=O)NNC(=O)Cc1ccncc1)Oc1ccc(Cl)cc1 c1cc(ccn1)[*:1] C[C@H](CNC(=O)NNC(=O)C[*:1])Oc1ccc(Cl)cc1
Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1 c1cnc(nc1)[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1 Cc1ccc(s1)[*:1] O=C(N1CCN(CC1)c1ncccn1)[*:1]
CCc1n[nH]c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)n1 O=C([O-])[*:1] CCc1n[nH]c(n1)C(=O)Nc1cc(ccc1Cl)[*:1]
CCOC(=O)C1CCC([NH+]2CCC(c3nc(C)no3)CC2)CC1 Cc1noc(n1)[*:1] CCOC(=O)C1CCC(CC1)[NH+]1CCC(CC1)[*:1]
CCOC(=O)C1CCC([NH+]2CCC(c3nc(C)no3)CC2)CC1 CCOC(=O)[*:1] Cc1noc(n1)C1CC[NH+](CC1)C1CCC(CC1)[*:1]
N#Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 c1ccc(cc1)[*:1] N#Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(o1)[*:1]
N#Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 N#Cc1ccccc1[*:1] O=C(/C=C/c1ccc(o1)-c1ccccc1)NC(=S)N[*:1]
CCOc1nnc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)s1 FC(F)(F)[*:1] CCOc1nnc(CN2CCN(CC2)c2ccc(cn2)[*:1])s1
CCOc1nnc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)s1 CCO[*:1] FC(F)(F)c1ccc(nc1)N1CCN(CC1)Cc1nnc(s1)[*:1]
CCOc1nnc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)s1 CCOc1nnc(s1)[*:1] FC(F)(F)c1ccc(nc1)N1CCN(CC1)C[*:1]
CCCN1CCN(C(=O)c2ccc3c(=O)n(C)cnc3c2)[C@H]2CS(=O)(=O)C[C@H]21 CCC[*:1] Cn1cnc2cc(ccc2c1=O)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
C[C@H](SCCC(=O)Nc1ccccc1Cl)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 O=C(Nc1ccccc1Cl)[*:1] C[C@H](SCC[*:1])c1nc2scc(-c3ccco3)c2c(=O)[nH]1
C[C@H](SCCC(=O)Nc1ccccc1Cl)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 Clc1ccccc1[*:1] C[C@H](SCCC(=O)N[*:1])c1nc2scc(-c3ccco3)c2c(=O)[nH]1
C[C@H](SCCC(=O)Nc1ccccc1Cl)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 c1coc(c1)[*:1] C[C@H](SCCC(=O)Nc1ccccc1Cl)c1nc2scc(c2c(=O)[nH]1)[*:1]
CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2nnc3ccccn23)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@@H]1c1nnc2ccccn12
Cc1ccc(C)c(OC[C@@H](O)CN2c3cccc4cccc(c34)S2(=O)=O)c1C Cc1ccc(C)c(c1C)[*:1] O=S1(=O)c2cccc3cccc(c23)N1C[C@H](O)CO[*:1]
O=C(c1ccc(O)cc1O)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)[*:1] O=C(c1ccc(O)cc1O)N1N=C(C[C@]1(O)[*:1])C(F)F
O=C(c1ccc(O)cc1O)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)[*:1] O=C(c1ccc(O)cc1O)N1N=C(C[C@@]1(O)C(F)F)[*:1]
Cc1nc(-c2cc[nH]n2)cn1Cc1c(Cl)cccc1Cl c1cc(n[nH]1)[*:1] Cc1nc(cn1Cc1c(Cl)cccc1Cl)[*:1]
CCOC(=O)[C@@H]1CCCN(Cc2cnc(N3CCOCC3)nc2)C1 C1CN(CCO1)[*:1] CCOC(=O)[C@@H]1CCCN(Cc2cnc(nc2)[*:1])C1
CCOC(=O)[C@@H]1CCCN(Cc2cnc(N3CCOCC3)nc2)C1 CCOC(=O)[*:1] c1nc(ncc1CN1CCC[C@H](C1)[*:1])N1CCOCC1
NC(=O)c1ccc(Cl)cc1OS(=O)(=O)c1cccc2ccccc12 NC(=O)[*:1] O=S(=O)(Oc1cc(Cl)ccc1[*:1])c1cccc2ccccc12
CCOc1ccc(N2CN(Cc3ccccc3)CNC2=S)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])N1CN(CNC1=S)Cc1ccccc1
CCOc1ccc(N2CN(Cc3ccccc3)CNC2=S)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])N1CN(CNC1=S)Cc1ccccc1
CCOc1ccc(N2CN(Cc3ccccc3)CNC2=S)cc1OCC c1ccc(cc1)C[*:1] CCOc1ccc(cc1OCC)N1CN(CNC1=S)[*:1]
CCOc1ccc(N2CN(Cc3ccccc3)CNC2=S)cc1OCC c1ccc(cc1)[*:1] CCOc1ccc(cc1OCC)N1CN(CNC1=S)C[*:1]
CSc1ccccc1C(=O)N(C[C@H]1CCCO1)c1nc2ccc(F)cc2s1 CSc1ccccc1[*:1] O=C(N(C[C@H]1CCCO1)c1nc2ccc(F)cc2s1)[*:1]
CSc1ncc(C(=O)N2CCN(C(=O)c3ccco3)CC2)n1-c1ccccc1 c1coc(c1)[*:1] CSc1ncc(C(=O)N2CCN(CC2)C(=O)[*:1])n1-c1ccccc1
CSc1ncc(C(=O)N2CCN(C(=O)c3ccco3)CC2)n1-c1ccccc1 c1ccc(cc1)[*:1] CSc1ncc(C(=O)N2CCN(CC2)C(=O)c2ccco2)n1[*:1]
NS(=O)(=O)c1ccc(C(=O)N2CCCCc3ccccc32)cc1F NS(=O)(=O)[*:1] O=C(c1ccc(c(F)c1)[*:1])N1CCCCc2ccccc21
O=C(NCCCN1CCOCC1)Nc1ccccc1Oc1ccccc1Cl C(CN1CCOCC1)C[*:1] O=C(Nc1ccccc1Oc1ccccc1Cl)N[*:1]
O=C(NCCCN1CCOCC1)Nc1ccccc1Oc1ccccc1Cl C1CN(CCO1)C[*:1] O=C(NCC[*:1])Nc1ccccc1Oc1ccccc1Cl
O=C(NCCCN1CCOCC1)Nc1ccccc1Oc1ccccc1Cl C1CN(CCO1)[*:1] O=C(NCCC[*:1])Nc1ccccc1Oc1ccccc1Cl
O=C(NCCCN1CCOCC1)Nc1ccccc1Oc1ccccc1Cl C1CN(CCO1)CC[*:1] O=C(NC[*:1])Nc1ccccc1Oc1ccccc1Cl
O=C(NCCCN1CCOCC1)Nc1ccccc1Oc1ccccc1Cl Clc1ccccc1[*:1] O=C(NCCCN1CCOCC1)Nc1ccccc1O[*:1]
O=C(NCCCN1CCOCC1)Nc1ccccc1Oc1ccccc1Cl Clc1ccccc1O[*:1] O=C(NCCCN1CCOCC1)Nc1ccccc1[*:1]
Cc1n[nH]c(C)c1NC(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1n[nH]c(C)c1NC(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 Cc1n[nH]c(C)c1[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)-c1ccc(F)cc1
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H](C)[*:1]
CC[NH2+][C@H]1CCC[C@@H]([C@H](C)CC)C1 CC[C@@H](C)[*:1] CC[NH2+][C@H]1CCC[C@@H](C1)[*:1]
CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 C1CC1[*:1] CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCCc1cccnc1 O=[N+]([O-])[*:1] Clc1cc(NCCc2cccnc2)c(cc1Cl)[*:1]
O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCCc1cccnc1 c1cncc(c1)[*:1] O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCC[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)[*:1])n(Cc2ccccc2)n1
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)nn1[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)nn1C[*:1]
CCC(=O)Nc1ccc([C@H](C)NC(=O)NCc2scnc2C)cc1 Cc1ncsc1C[*:1] CCC(=O)Nc1ccc(cc1)[C@H](C)NC(=O)N[*:1]
CCC(=O)Nc1ccc([C@H](C)NC(=O)NCc2scnc2C)cc1 CCC(=O)N[*:1] Cc1ncsc1CNC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc([C@H](C)NC(=O)NCc2scnc2C)cc1 Cc1ncsc1[*:1] CCC(=O)Nc1ccc(cc1)[C@H](C)NC(=O)NC[*:1]
C[C@@H](Oc1ccc(Cl)cc1C(N)=O)c1nc(-c2cccs2)no1 NC(=O)[*:1] C[C@@H](Oc1ccc(Cl)cc1[*:1])c1nc(no1)-c1cccs1
C[C@@H](Oc1ccc(Cl)cc1C(N)=O)c1nc(-c2cccs2)no1 c1csc(c1)[*:1] C[C@@H](Oc1ccc(Cl)cc1C(N)=O)c1nc(no1)[*:1]
CC(C)[C@@H](C(=O)N(C)[C@@H](C)Cc1cccs1)C(N)=S NC(=S)[*:1] CC(C)[C@@H](C(=O)N(C)[C@@H](C)Cc1cccs1)[*:1]
CC(C)[C@@H](C(=O)N(C)[C@@H](C)Cc1cccs1)C(N)=S c1csc(c1)[*:1] CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[*:1])C(N)=S
CC(C)[C@@H](C(=O)N(C)[C@@H](C)Cc1cccs1)C(N)=S c1csc(c1)C[*:1] CC(C)[C@@H](C(=O)N(C)[C@@H](C)[*:1])C(N)=S
CC(C)[C@@H](C(=O)N(C)[C@@H](C)Cc1cccs1)C(N)=S CC(C)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](C(N)=S)[*:1]
CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(C1CC1)C3 CCOc1ccccc1[*:1] Cc1cc2OCN(Cc2c2OC(=C[*:1])C(=O)c12)C1CC1
CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(C1CC1)C3 CCO[*:1] Cc1cc2OCN(Cc2c2O/C(=C\c3ccccc3[*:1])C(=O)c12)C1CC1
CCOc1ccccc1/C=C1\Oc2c3c(cc(C)c2C1=O)OCN(C1CC1)C3 C1CC1[*:1] CCOc1ccccc1/C=C1\Oc2c3CN(COc3cc(C)c2C1=O)[*:1]
C#CCN1CCN(C(=O)CN2CCCc3ccccc32)CC1 C#CC[*:1] O=C(CN1CCCc2ccccc21)N1CCN(CC1)[*:1]
Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)Cc3cccs3)ccc1O2 O=C(Cc1cccs1)N[*:1] Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)[*:1]
Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)Cc3cccs3)ccc1O2 c1csc(c1)C[*:1] Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)NC(=O)[*:1]
Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)Cc3cccs3)ccc1O2 c1csc(c1)[*:1] Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)NC(=O)C[*:1]
CS(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)CCc1nc(no1)[*:1]
Cc1nsc(N2CCCN(Cc3c(C)nn(CCO)c3C)CC2)n1 OCC[*:1] Cc1nsc(n1)N1CCCN(CC1)Cc1c(C)nn(c1C)[*:1]
Cc1nsc(N2CCCN(Cc3c(C)nn(CCO)c3C)CC2)n1 Cc1nsc(n1)[*:1] Cc1nn(CCO)c(C)c1CN1CCCN(CC1)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)NCCNC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)NCCNC(=O)[*:1]
O=C1COc2cc(C(=O)N3CCC[C@H]3c3ccncc3)ccc2N1 c1cc(ccn1)[*:1] O=C1COc2cc(ccc2N1)C(=O)N1CCC[C@@H]1[*:1]
CCCCn1nccc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 CCCC[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1ccnn1[*:1]
CCCCn1nccc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 CCC[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1ccnn1C[*:1]
O=C(/C=C/C1CC1)NCCc1cc(Cl)c2c(c1)OCCO2 C(=C[*:1])C1CC1 O=C(NCCc1cc(Cl)c2OCCOc2c1)[*:1]
O=C(/C=C/C1CC1)NCCc1cc(Cl)c2c(c1)OCCO2 C1CC1[*:1] O=C(C=C[*:1])NCCc1cc(Cl)c2OCCOc2c1
O=C1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CCCCC2=O)CC1 O=C1CCCC[C@@H]1[*:1] O=C1CCCC[C@H]1C[NH+]1CCN(CC1)C[*:1]
O=C1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CCCCC2=O)CC1 O=C1CCCC[C@H]1[*:1] O=C1CCCC[C@H]1CN1CC[NH+](CC1)C[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 FC(F)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)COCC(F)(F)[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 FC(F)C(F)(F)CO[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 FC(F)C(F)(F)C[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)CO[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 FC(F)C(F)(F)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)COC[*:1]
COc1ccccc1CCNC(=O)Nc1c(C(C)(C)C)[nH+]n(C(C)(C)C)c1N COc1ccccc1C[*:1] CC(C)(C)c1[nH+]n(c(N)c1NC(=O)NC[*:1])C(C)(C)C
COc1ccccc1CCNC(=O)Nc1c(C(C)(C)C)[nH+]n(C(C)(C)C)c1N CC(C)(C)[*:1] COc1ccccc1CCNC(=O)Nc1c([nH+]n(c1N)[*:1])C(C)(C)C
COc1ccccc1CCNC(=O)Nc1c(C(C)(C)C)[nH+]n(C(C)(C)C)c1N CC(C)(C)[*:1] COc1ccccc1CCNC(=O)Nc1c([nH+]n(c1N)C(C)(C)C)[*:1]
COc1ccccc1CCNC(=O)Nc1c(C(C)(C)C)[nH+]n(C(C)(C)C)c1N COc1ccccc1[*:1] CC(C)(C)c1[nH+]n(c(N)c1NC(=O)NCC[*:1])C(C)(C)C
Cc1nc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)ncc1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] Cc1nc(ncc1[*:1])[C@H]1CCCN(C1)C(=O)CN1CCOCC1
Cc1nc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)ncc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)N[*:1])[C@H]1CCCN(C1)C(=O)CN1CCOCC1
Cc1nc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)ncc1C(=O)Nc1ccccc1 C1CN(CCO1)[*:1] Cc1nc(ncc1C(=O)Nc1ccccc1)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1nc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)ncc1C(=O)Nc1ccccc1 C1CN(CCO1)C[*:1] Cc1nc(ncc1C(=O)Nc1ccccc1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(CSc1nnc(NC2CCCCC2)s1)Nc1nnc(-c2ccccc2)o1 C1CCC(CC1)N[*:1] O=C(CSc1nnc(s1)[*:1])Nc1nnc(o1)-c1ccccc1
O=C(CSc1nnc(NC2CCCCC2)s1)Nc1nnc(-c2ccccc2)o1 C1CCC(CC1)[*:1] O=C(CSc1nnc(N[*:1])s1)Nc1nnc(o1)-c1ccccc1
O=C(CSc1nnc(NC2CCCCC2)s1)Nc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(CSc1nnc(NC2CCCCC2)s1)Nc1nnc(o1)[*:1]
O=C(NCCC1=c2ccccc2=[NH+]C1)C1=CC[C@H](NC(=O)C2CC2)S1 O=C(N[*:1])C1CC1 O=C(NCCC1C[NH+]=c2ccccc2=1)C1=CC[C@H](S1)[*:1]
O=C(NCCC1=c2ccccc2=[NH+]C1)C1=CC[C@H](NC(=O)C2CC2)S1 C1CC1[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)C1=CC[C@H](NC(=O)[*:1])S1
Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)[*:1])c1C
Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@H](C)C(=O)[O-])ccc12 c1ccc(cc1)C[*:1] Cc1c(c(=O)oc2cc(ccc12)OCC(=O)N[C@H](C)C(=O)[O-])[*:1]
Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@H](C)C(=O)[O-])ccc12 O=C([O-])[*:1] Cc1c(Cc2ccccc2)c(=O)oc2cc(ccc12)OCC(=O)N[C@H](C)[*:1]
Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@H](C)C(=O)[O-])ccc12 c1ccc(cc1)[*:1] Cc1c(C[*:1])c(=O)oc2cc(ccc12)OCC(=O)N[C@H](C)C(=O)[O-]
C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCNC(=O)C1 CC(C)(C)[*:1] C[C@H](C(=O)NC(=O)N[*:1])N1CCNC(=O)C1
CC(C)(NC(=O)c1cc(C2CC2)on1)c1ccc2c(c1)OCCO2 c1c(noc1C1CC1)[*:1] CC(C)(NC(=O)[*:1])c1ccc2OCCOc2c1
CC(C)(NC(=O)c1cc(C2CC2)on1)c1ccc2c(c1)OCCO2 C1CC1[*:1] CC(C)(NC(=O)c1cc(on1)[*:1])c1ccc2OCCOc2c1
Cc1ccc(C)c(-c2cc3c(N4CCC(C(=O)NCc5ccc(F)cc5)CC4)nccn3n2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCc1ccc(F)cc1)C1CCN(CC1)c1nccn2nc(cc12)[*:1]
Cc1ccc(C)c(-c2cc3c(N4CCC(C(=O)NCc5ccc(F)cc5)CC4)nccn3n2)c1 O=C(NCc1ccc(F)cc1)[*:1] Cc1ccc(C)c(c1)-c1cc2c(nccn2n1)N1CCC(CC1)[*:1]
Cc1ccc(C)c(-c2cc3c(N4CCC(C(=O)NCc5ccc(F)cc5)CC4)nccn3n2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)-c1cc2c(nccn2n1)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccc(C)c(-c2cc3c(N4CCC(C(=O)NCc5ccc(F)cc5)CC4)nccn3n2)c1 Fc1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)-c1cc2c(nccn2n1)N1CCC(CC1)C(=O)N[*:1]
Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1cc(Cl)ccc1O[C@H]2c1ccco1 Cc1ccccc1[*:1] Cn1c(=O)c2c(n3-c4cc(Cl)ccc4O[C@@H](c4ccco4)c3c2n(C)c1=O)[*:1]
Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1cc(Cl)ccc1O[C@H]2c1ccco1 c1coc(c1)[*:1] Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2[C@H](Oc3ccc(Cl)cc3-n12)[*:1]
COc1cccc(CN(C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 COc1cccc(c1)C[*:1] CN(CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)[*:1]
COc1cccc(CN(C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 COc1cccc(c1)[*:1] CN(CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)C[*:1]
COc1cccc(CN(C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CN(C)CN1C(=O)NC(C1=O)(c1ccccc1)[*:1]
Cc1ncccc1CN(C)[C@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ncccc1CN(C)[C@H]1CCC[C@H]1[*:1]
Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C3=O)o1 C1CCC(CC1)[*:1] Cc1cc2c(cc3C(=O)N(Cc4ccc(F)cc4)[C@](C)(Cn32)C(=O)N[*:1])o1
Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C3=O)o1 Fc1ccc(cc1)[*:1] Cc1cc2c(cc3C(=O)N(C[*:1])[C@](C)(Cn32)C(=O)NC2CCCCC2)o1
Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C3=O)o1 O=C(NC1CCCCC1)[*:1] Cc1cc2c(cc3C(=O)N(Cc4ccc(F)cc4)[C@@](C)(Cn32)[*:1])o1
Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C3=O)o1 Fc1ccc(cc1)C[*:1] Cc1cc2c(cc3C(=O)N([C@](C)(Cn32)C(=O)NC2CCCCC2)[*:1])o1
Cc1cc(C[NH2+][C@H](C)c2cccc(OCC(=O)N(C)C)c2)c(C)o1 CN(C)C(=O)C[*:1] Cc1cc(C[NH2+][C@H](C)c2cccc(c2)O[*:1])c(C)o1
Cc1cc(C[NH2+][C@H](C)c2cccc(OCC(=O)N(C)C)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H]([NH2+]C[*:1])c1cccc(c1)OCC(=O)N(C)C
Cc1cc(C[NH2+][C@H](C)c2cccc(OCC(=O)N(C)C)c2)c(C)o1 CN(C)C(=O)[*:1] Cc1cc(C[NH2+][C@H](C)c2cccc(c2)OC[*:1])c(C)o1
Cc1cc(C[NH2+][C@H](C)c2cccc(OCC(=O)N(C)C)c2)c(C)o1 CN(C)C(=O)CO[*:1] Cc1cc(C[NH2+][C@H](C)c2cccc(c2)[*:1])c(C)o1
COc1cccc(NC(=O)C(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] COc1cccc(c1)NC(=O)C(=O)N[*:1]
CN[C@@]1(C#N)CC[C@@H](Oc2ccc(C(C)(C)C)cc2C)C1 CC(C)(C)[*:1] CN[C@@]1(C#N)CC[C@H](C1)Oc1ccc(cc1C)[*:1]
CC(C)Cc1cc(C(=O)N2CCc3ccccc3C2)no1 CC(C)[*:1] O=C(c1cc(C[*:1])on1)N1CCc2ccccc2C1
CC(C)Cc1cc(C(=O)N2CCc3ccccc3C2)no1 CC(C)C[*:1] O=C(c1cc(on1)[*:1])N1CCc2ccccc2C1
Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)c3cc(C)ccc3C)C2=O)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)[C@@]1(C)NC(=O)N(C[C@H](O)[*:1])C1=O
Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)c3cc(C)ccc3C)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)[C@@H](O)CN1C(=O)N[C@](C)(C1=O)[*:1]
C[C@H]1CC[C@@](C#N)([C@H](O)c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] C[C@H]1CC[C@](C#N)(C1)[C@H](O)c1cccc(c1)[*:1]
Cc1nc(N)sc1SCc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] Cc1nc(N)sc1SCc1ccc(c(F)c1)[*:1]
Cc1csc(NC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)Nc3nc(C)cs3)C2)n1 Cc1csc(n1)[*:1] Cc1csc(n1)NC(=O)NC[C@@H]1CCC[C@@H](CNC(=O)N[*:1])C1
CCCc1nc(CN(C)[C@@H](C)Cc2cccs2)cs1 c1csc(c1)C[*:1] CCCc1nc(cs1)CN(C)[C@@H](C)[*:1]
CCCc1nc(CN(C)[C@@H](C)Cc2cccs2)cs1 CCC[*:1] C[C@@H](Cc1cccs1)N(C)Cc1csc(n1)[*:1]
CCCc1nc(CN(C)[C@@H](C)Cc2cccs2)cs1 c1csc(c1)[*:1] CCCc1nc(cs1)CN(C)[C@@H](C)C[*:1]
O=C(Nc1ccc(NC(=O)N2CCc3ccccc3C2)cc1)[C@H]1CCCO1 O=C(N[*:1])[C@H]1CCCO1 O=C(Nc1ccc(cc1)[*:1])N1CCc2ccccc2C1
Cc1ccc(NC(=O)c2ccc(SCC(=O)[O-])c([N+](=O)[O-])c2)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)NC(=O)c1ccc(S[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)c2ccc(SCC(=O)[O-])c([N+](=O)[O-])c2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)NC(=O)c1ccc(SC[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)c2ccc(SCC(=O)[O-])c([N+](=O)[O-])c2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])CSc1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(NC(=O)c2ccc(SCC(=O)[O-])c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)NC(=O)c1ccc(SCC(=O)[O-])c(c1)[*:1]
Cc1ccc(NC(=O)c2ccc(SCC(=O)[O-])c([N+](=O)[O-])c2)cc1 O=C([O-])CS[*:1] Cc1ccc(cc1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(NC1CCN(C(=O)c2cccs2)CC1)c1ccc(F)cc1 c1csc(c1)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])c1ccc(F)cc1
O=C(NC1CCN(C(=O)c2cccs2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(c1cccs1)N1CCC(CC1)NC(=O)[*:1]
COc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)cc1OC Clc1cccc(c1)[*:1] COc1ccc(cc1OC)NC(=O)CSc1nnc(o1)[*:1]
C1CCC(SCc2noc(C[C@H]3C[NH2+]CCO3)n2)CC1 C1CCC(CC1)[*:1] C1CO[C@H](C[NH2+]1)Cc1nc(CS[*:1])no1
Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccc(OCc4ccccc4)cc3)nnc1n2C c1ccc(cc1)CO[*:1] Cn1c(=O)[nH]c(=O)c2c1n1c(nnc1n2C)-c1ccc(cc1)[*:1]
Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccc(OCc4ccccc4)cc3)nnc1n2C c1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1n1c(nnc1n2C)-c1ccc(cc1)O[*:1]
Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccc(OCc4ccccc4)cc3)nnc1n2C c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1n1c(nnc1n2C)-c1ccc(cc1)OC[*:1]
O=C(NCc1ccc(F)cc1)NOCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)NOC[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnn(-c2ccncc2)c1C c1ccc(cc1)[*:1] CC[C@@H]([C@@H]1CCCN1C(=O)c1cnn(-c2ccncc2)c1C)[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnn(-c2ccncc2)c1C CC[C@@H](c1ccccc1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CCC[C@H]1[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnn(-c2ccncc2)c1C c1cc(ccn1)[*:1] CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnn(c1C)[*:1]
CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 CC(=O)C[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Oc1ccc(cc1)C[*:1]
CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 CC(=O)CC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Oc1ccc(cc1)[*:1]
CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 CC(=O)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Oc1ccc(cc1)CC[*:1]
CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 C[C@H]1CCCC[C@@H]1[*:1] CC(=O)CCc1ccc(cc1)O[C@H](C)C(=O)N[*:1]
[O-]c1nc(SCC2CCOCC2)nc2c1cnn2-c1ccccc1 C1CC(CCO1)[*:1] [O-]c1nc(nc2c1cnn2-c1ccccc1)SC[*:1]
[O-]c1nc(SCC2CCOCC2)nc2c1cnn2-c1ccccc1 C1CC(CCO1)C[*:1] [O-]c1nc(nc2c1cnn2-c1ccccc1)S[*:1]
[O-]c1nc(SCC2CCOCC2)nc2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] [O-]c1nc(nc2c1cnn2[*:1])SCC1CCOCC1
[O-]c1nc(SCC2CCOCC2)nc2c1cnn2-c1ccccc1 C1CC(CCO1)CS[*:1] [O-]c1nc(nc2c1cnn2-c1ccccc1)[*:1]
C#CCN(CC#C)C(=O)CCc1nc2ccccc2s1 C#CC[*:1] C#CCN(C(=O)CCc1nc2ccccc2s1)[*:1]
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2s1 O=[N+]([O-])[*:1] N#C/C(=C\c1ccc(cc1)[*:1])c1nc2cc(Cl)ccc2s1
C#CCN(C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)N[C@H]1CCC[C@@H](C1)C(F)(F)F)[*:1]
C#CCN(C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] C#CCN(C(=O)N[C@H]1CCC[C@H](C1)[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(N[C@H]1CCC[C@@H](C1)C(F)(F)F)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1cccc2nc(C(=O)N3CCC[C@@H](C(=O)c4ccc(Oc5ccccc5)cc4)C3)cn12 c1ccc(cc1)O[*:1] Cc1cccc2nc(cn12)C(=O)N1CCC[C@H](C1)C(=O)c1ccc(cc1)[*:1]
Cc1cccc2nc(C(=O)N3CCC[C@@H](C(=O)c4ccc(Oc5ccccc5)cc4)C3)cn12 c1ccc(cc1)[*:1] Cc1cccc2nc(cn12)C(=O)N1CCC[C@H](C1)C(=O)c1ccc(cc1)O[*:1]
COc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c(O)c1 c1ccc(cc1)[*:1] COc1ccc(C(=O)NNc2ccc(nn2)[*:1])c(O)c1
CC[NH2+]Cc1cnn(-c2ccc(C)cc2C)c1C1CC1 C1CC1[*:1] CC[NH2+]Cc1cnn(-c2ccc(C)cc2C)c1[*:1]
CN(CC[NH+]1CCCC1)C[C@@H](CS)C(C)(C)C CC(C)(C)[*:1] CN(CC[NH+]1CCCC1)C[C@@H](CS)[*:1]
Cc1ccc(-n2nnc(C(=O)N(C)c3ccccc3)c2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N(C)[*:1])c1C
Cc1ccc(-n2nnc(C(=O)N(C)c3ccccc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)N(C)c1ccccc1
Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2CCc3ccccc32)no1 Cc1cc(C[*:1])no1 C[C@@H](C(=O)N1CCc2ccccc21)S(=O)(=O)[*:1]
Cc1cc(CS(=O)(=O)[C@@H](C)C(=O)N2CCc3ccccc32)no1 Cc1cc(no1)[*:1] C[C@@H](C(=O)N1CCc2ccccc21)S(=O)(=O)C[*:1]
COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccc(C(=O)OC)cc2)n2nnnc2N1 COC(=O)[*:1] COC(=O)c1ccc(cc1)[C@H]1C(C(=O)c2cccs2)=C(Nc2nnnn21)[*:1]
COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccc(C(=O)OC)cc2)n2nnnc2N1 COC(=O)[*:1] COC(=O)C1Nc2nnnn2[C@H](C=1C(=O)c1cccs1)c1ccc(cc1)[*:1]
COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccc(C(=O)OC)cc2)n2nnnc2N1 COC(=O)c1ccc(cc1)[*:1] COC(=O)C1Nc2nnnn2[C@@H](C=1C(=O)c1cccs1)[*:1]
COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccc(C(=O)OC)cc2)n2nnnc2N1 c1csc(c1)[*:1] COC(=O)C1Nc2nnnn2[C@H](C=1C(=O)[*:1])c1ccc(cc1)C(=O)OC
COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccc(C(=O)OC)cc2)n2nnnc2N1 O=C(c1cccs1)[*:1] COC(=O)C1Nc2nnnn2[C@H](C=1[*:1])c1ccc(cc1)C(=O)OC
C[C@H](NC(=O)NCCc1ccccc1F)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)NCCc1ccccc1F)[*:1]
CCc1nc(CN2CCN(Cc3cnc(N(C)C)s3)CC2)no1 CCc1nc(no1)[*:1] CN(C)c1ncc(CN2CCN(CC2)C[*:1])s1
CCc1nc(CN2CCN(Cc3cnc(N(C)C)s3)CC2)no1 CN(C)[*:1] CCc1nc(CN2CCN(CC2)Cc2cnc(s2)[*:1])no1
Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)c1 Fc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)O[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)O[C@@H](C)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](O[*:1])C(=O)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1
Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)c1 Cc1cc(C)cc(c1)O[*:1] C[C@@H](C(=O)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc([C@@H](NC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)[*:1]
COc1ccc([C@@H](NC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H](C1CCOCC1)[*:1])N1CC[C@@H]2OCCC[C@@H]2C1
Cn1ncnc1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 Cn1ncnc1[*:1] O=C(NC[*:1])N1CCC[C@H](C1)C[NH+]1CCCCCC1
Cn1ncnc1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 Cn1ncnc1C[*:1] O=C(N[*:1])N1CCC[C@H](C1)C[NH+]1CCCCCC1
COc1ccc(CC(=O)Nc2ccc([C@H]3C=c4ccccc4=[NH+]3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)[C@H]1C=c2ccccc2=[NH+]1
COc1ccc(CC(=O)Nc2ccc([C@H]3C=c4ccccc4=[NH+]3)cc2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)[C@H]1C=c2ccccc2=[NH+]1)[*:1]
COc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(C(=O)[O-])c1 CC(C)(C)NS(=O)(=O)[*:1] COc1ccc(-c2ccc(cc2)[*:1])c(c1)C(=O)[O-]
COc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(C(=O)[O-])c1 CC(C)(C)[*:1] COc1ccc(-c2ccc(cc2)S(=O)(=O)N[*:1])c(c1)C(=O)[O-]
COc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(-c2ccc(cc2)S(=O)(=O)NC(C)(C)C)c(c1)[*:1]
Cc1ccc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)CC2)cc1C Cc1ccc(cc1C)[*:1] CN(C)c1ncc(-c2cccc(c2)C(N)=O)c(n1)C1CC[NH+](CC1)C[*:1]
Cc1ccc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)CC2)cc1C NC(=O)c1cccc(c1)[*:1] Cc1ccc(cc1C)C[NH+]1CCC(CC1)c1nc(ncc1[*:1])N(C)C
Cc1ccc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)CC2)cc1C NC(=O)[*:1] Cc1ccc(cc1C)C[NH+]1CCC(CC1)c1nc(ncc1-c1cccc(c1)[*:1])N(C)C
Cc1ccc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)CC2)cc1C CN(C)[*:1] Cc1ccc(cc1C)C[NH+]1CCC(CC1)c1nc(ncc1-c1cccc(c1)C(N)=O)[*:1]
Cc1ccc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)CC2)cc1C Cc1ccc(cc1C)C[*:1] CN(C)c1ncc(-c2cccc(c2)C(N)=O)c(n1)C1CC[NH+](CC1)[*:1]
CCCNC(=O)Cn1c([O-])c2[nH]cc(-c3ccccc3)c2nc1=S CCC[*:1] O=C(Cn1c([O-])c2[nH]cc(-c3ccccc3)c2nc1=S)N[*:1]
CCCNC(=O)Cn1c([O-])c2[nH]cc(-c3ccccc3)c2nc1=S CCCNC(=O)C[*:1] [O-]c1c2[nH]cc(-c3ccccc3)c2nc(=S)n1[*:1]
CCCNC(=O)Cn1c([O-])c2[nH]cc(-c3ccccc3)c2nc1=S c1ccc(cc1)[*:1] CCCNC(=O)Cn1c([O-])c2[nH]cc(c2nc1=S)[*:1]
CCCNC(=O)Cn1c([O-])c2[nH]cc(-c3ccccc3)c2nc1=S CCCNC(=O)[*:1] [O-]c1c2[nH]cc(-c3ccccc3)c2nc(=S)n1C[*:1]
Cc1nn(C)c(Oc2cccnc2)c1CN1CCCC[C@H]([NH+]2CCCC2)C1 c1cncc(c1)[*:1] Cc1nn(C)c(O[*:1])c1CN1CCCC[C@@H](C1)[NH+]1CCCC1
Cc1nn(C)c(Oc2cccnc2)c1CN1CCCC[C@H]([NH+]2CCCC2)C1 c1cncc(c1)O[*:1] Cc1nn(C)c(c1CN1CCCC[C@@H](C1)[NH+]1CCCC1)[*:1]
FC(F)(F)c1cccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)c1 C1CC1[*:1] FC(F)(F)c1cccc(c1)-c1noc(n1)-c1cc([nH]n1)[*:1]
FC(F)(F)c1cccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])-c1noc(n1)-c1cc([nH]n1)C1CC1
CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@H](Sc2ncccn2)C1 CCOC(=O)[*:1] CC(C)[NH2+][C@@]1(CC[C@@H](C1)Sc1ncccn1)[*:1]
CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@H](Sc2ncccn2)C1 CC(C)[*:1] CCOC(=O)[C@@]1(CC[C@@H](C1)Sc1ncccn1)[NH2+][*:1]
CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@H](Sc2ncccn2)C1 c1cnc(nc1)S[*:1] CCOC(=O)[C@@]1(CC[C@H](C1)[*:1])[NH2+]C(C)C
CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@H](Sc2ncccn2)C1 c1cnc(nc1)[*:1] CCOC(=O)[C@@]1(CC[C@@H](C1)S[*:1])[NH2+]C(C)C
C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cnc(Nc3ccccc3)nc2)C1 c1ccc(cc1)[*:1] C[NH+](C)C[C@]1(O)CCCN(C1)C(=O)c1cnc(nc1)N[*:1]
C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cnc(Nc3ccccc3)nc2)C1 c1ccc(cc1)N[*:1] C[NH+](C)C[C@]1(O)CCCN(C1)C(=O)c1cnc(nc1)[*:1]
Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)n1 Cn1ccc(n1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)nn1)[*:1]
Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)n1 Clc1ccc(nn1)[*:1] Cn1ccc(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cn1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1=O O=C([O-])[*:1] Cn1ccc(cc1=O)C(=O)NCc1ccc(cc1)[*:1]
C[C@@H]1CCc2sc(C(=O)OCc3nc4ccc(Cl)cc4n3CCO)cc2C1 OCC[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)OCc1nc2ccc(Cl)cc2n1[*:1]
Cc1cn2c(=O)c(C(=O)N3CCC[C@H](n4cccn4)C3)cnc2s1 c1cnn(c1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N1CCC[C@H](C1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)c2ccc(OC)cc2)C1 CCNS(=O)(=O)[*:1] COc1ccc(cc1)[C@@H](C)C(=O)N1CC[C@@H](C1)[*:1]
COCCCOc1cccc(NC(=O)N2CCC([C@H](C)O)CC2)c1 COCCCO[*:1] C[C@H](O)C1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
COCCCOc1cccc(NC(=O)N2CCC([C@H](C)O)CC2)c1 COC[*:1] C[C@H](O)C1CCN(CC1)C(=O)Nc1cccc(c1)OCC[*:1]
COCCCOc1cccc(NC(=O)N2CCC([C@H](C)O)CC2)c1 COCCC[*:1] C[C@H](O)C1CCN(CC1)C(=O)Nc1cccc(c1)O[*:1]
COCCCOc1cccc(NC(=O)N2CCC([C@H](C)O)CC2)c1 C[C@H](O)[*:1] COCCCOc1cccc(c1)NC(=O)N1CCC(CC1)[*:1]
COCCCOc1cccc(NC(=O)N2CCC([C@H](C)O)CC2)c1 COCC[*:1] C[C@H](O)C1CCN(CC1)C(=O)Nc1cccc(c1)OC[*:1]
CCOc1ccc2ccccc2c1CNc1nnn[n-]1 CCO[*:1] c1ccc2c(CNc3nnn[n-]3)c(ccc2c1)[*:1]
COc1cccc([C@@H](Nc2ccc3nnnn3n2)c2[nH+]ccn2C)c1 COc1cccc(c1)[*:1] Cn1cc[nH+]c1[C@H](Nc1ccc2nnnn2n1)[*:1]
CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2ccsc2)CC1)C(C)C c1cc(cs1)[*:1] CC(C)[NH+](CCNC(=O)C1CCN(CC1)C(=O)[*:1])C(C)C
CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2ccsc2)CC1)C(C)C CC(C)[*:1] CC(C)[NH+](CCNC(=O)C1CCN(CC1)C(=O)c1ccsc1)[*:1]
CCc1ccsc1CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 CCc1ccsc1[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCCC1)NC[*:1]
CCc1ccsc1CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 CCc1ccsc1C[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCCC1)N[*:1]
CCc1ccsc1CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 C1CCCN(CC1)[*:1] CCc1ccsc1CNC(=O)NCc1ccc([nH+]c1)[*:1]
Cc1cccc(CS(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 Cc1cccc(n1)[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)C[*:1]
Cc1cccc(CS(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 O=C([O-])[*:1] Cc1cccc(CS(=O)(=O)c2ccc(cc2F)[*:1])n1
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O Cc1cc(Br)ccc1[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc2C(=O)N(C(=O)c2c1)C1CC1
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O C1CC1[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)O[C@H](C)C(=O)N[*:1]
COC(=O)[C@H](Nc1ncnc(OC(C)C)c1N)C(C)C COC(=O)[*:1] CC(C)Oc1ncnc(N[C@H](C(C)C)[*:1])c1N
COC(=O)[C@H](Nc1ncnc(OC(C)C)c1N)C(C)C CC(C)[*:1] COC(=O)[C@H](Nc1ncnc(O[*:1])c1N)C(C)C
COC(=O)[C@H](Nc1ncnc(OC(C)C)c1N)C(C)C CC(C)[*:1] COC(=O)[C@H](Nc1ncnc(OC(C)C)c1N)[*:1]
COC(=O)[C@H](Nc1ncnc(OC(C)C)c1N)C(C)C CC(C)O[*:1] COC(=O)[C@H](Nc1ncnc(c1N)[*:1])C(C)C
CCC1(CC)CCN(c2nc(Cl)nc(-n3cncn3)n2)C1 c1ncn(n1)[*:1] CCC1(CC)CCN(C1)c1nc(Cl)nc(n1)[*:1]
CCC[NH2+][C@@H]1CC[C@H](Cc2[nH+]ccn2CC)[C@@H]1C CCC[*:1] CCn1cc[nH+]c1C[C@H]1CC[C@@H]([NH2+][*:1])[C@H]1C
CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccccc1F CC(C)[*:1] O=C(NCc1ccccc1F)c1snc(-c2ccccn2)c1NC(=O)[*:1]
CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccccc1F CC(C)C(=O)N[*:1] O=C(NCc1ccccc1F)c1snc(-c2ccccn2)c1[*:1]
CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccccc1F Fc1ccccc1[*:1] CC(C)C(=O)Nc1c(nsc1C(=O)NC[*:1])-c1ccccn1
CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccccc1F Fc1ccccc1C[*:1] CC(C)C(=O)Nc1c(nsc1C(=O)N[*:1])-c1ccccn1
CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccccc1F c1ccc(nc1)[*:1] CC(C)C(=O)Nc1c(nsc1C(=O)NCc1ccccc1F)[*:1]
O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1cnccn1 c1cnc(cn1)[*:1] O=C(NCCC[NH+]1CCN(CC1)c1ccccc1F)[*:1]
O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1cnccn1 Fc1ccccc1[*:1] O=C(NCCC[NH+]1CCN(CC1)[*:1])c1cnccn1
C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)C)[*:1]
C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccncc1 C[C@@H](c1ccncc1)[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccncc1 CN(C)S(=O)(=O)[*:1] C[C@@H](NC(=O)c1cc(ccc1Cl)[*:1])c1ccncc1
CSC[C@H](C)NC(=O)C(=O)Nc1ccc2nc(C)sc2c1 CSC[*:1] Cc1nc2ccc(cc2s1)NC(=O)C(=O)N[C@@H](C)[*:1]
O=C1CN(CC(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)C(=O)N1 O=C1CN(C(=O)N1)[*:1] O=C(C[*:1])N1CCC(CC1)c1[nH+]ccn1Cc1ccncc1
O=C1CN(CC(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)C(=O)N1 c1cc(ccn1)C[*:1] O=C1CN(CC(=O)N2CCC(CC2)c2[nH+]ccn2[*:1])C(=O)N1
O=C1CN(CC(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)C(=O)N1 O=C1CN(C[*:1])C(=O)N1 O=C(N1CCC(CC1)c1[nH+]ccn1Cc1ccncc1)[*:1]
O=C1CN(CC(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)C(=O)N1 c1cc(ccn1)[*:1] O=C1CN(CC(=O)N2CCC(CC2)c2[nH+]ccn2C[*:1])C(=O)N1
C=CCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Br)c1)C2=O C=CCOC(=O)C[*:1] Cc1cc(cc2O/C(=C\c3cccc(Br)c3)C(=O)c12)O[*:1]
C=CCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Br)c1)C2=O C=CCOC(=O)[*:1] Cc1cc(cc2O/C(=C\c3cccc(Br)c3)C(=O)c12)OC[*:1]
C=CCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Br)c1)C2=O C=CC[*:1] Cc1cc(cc2O/C(=C\c3cccc(Br)c3)C(=O)c12)OCC(=O)O[*:1]
C=CCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Br)c1)C2=O C=CCOC(=O)CO[*:1] Cc1cc(cc2O/C(=C\c3cccc(Br)c3)C(=O)c12)[*:1]
C=CCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1cccc(Br)c1)C2=O Brc1cccc(c1)[*:1] C=CCOC(=O)COc1cc(C)c2C(=O)C(=C[*:1])Oc2c1
O=C1CCCN1c1ccc(OCc2ccc3c(c2)OCO3)cc1 O=C1CCCN1[*:1] c1cc2OCOc2cc1COc1ccc(cc1)[*:1]
O=C1CN(C(=O)c2cncs2)C[C@@H](OCc2ccncc2)CN1CCc1ccccc1 c1ncc(s1)[*:1] O=C1CN(C[C@H](CN1CCc1ccccc1)OCc1ccncc1)C(=O)[*:1]
O=C1CN(C(=O)c2cncs2)C[C@@H](OCc2ccncc2)CN1CCc1ccccc1 c1cc(ccn1)[*:1] O=C1CN(C[C@H](CN1CCc1ccccc1)OC[*:1])C(=O)c1cncs1
O=C1CN(C(=O)c2cncs2)C[C@@H](OCc2ccncc2)CN1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(c1cncs1)N1CC(=O)N(C[C@@H](C1)OCc1ccncc1)[*:1]
O=C1CN(C(=O)c2cncs2)C[C@@H](OCc2ccncc2)CN1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1CN(C[C@H](CN1CC[*:1])OCc1ccncc1)C(=O)c1cncs1
O=C1CN(C(=O)c2cncs2)C[C@@H](OCc2ccncc2)CN1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1CN(C[C@H](CN1C[*:1])OCc1ccncc1)C(=O)c1cncs1
O=C1CN(C(=O)c2cncs2)C[C@@H](OCc2ccncc2)CN1CCc1ccccc1 c1cc(ccn1)C[*:1] O=C1CN(C[C@H](CN1CCc1ccccc1)O[*:1])C(=O)c1cncs1
O=C1CN(C(=O)c2cncs2)C[C@@H](OCc2ccncc2)CN1CCc1ccccc1 c1cc(ccn1)CO[*:1] O=C1CN(C[C@@H](CN1CCc1ccccc1)[*:1])C(=O)c1cncs1
CCS(=O)(=O)NCCNC(=O)c1cnn(-c2ccccn2)c1C CCS(=O)(=O)N[*:1] Cc1c(cnn1-c1ccccn1)C(=O)NCC[*:1]
CCS(=O)(=O)NCCNC(=O)c1cnn(-c2ccccn2)c1C CCS(=O)(=O)NC[*:1] Cc1c(cnn1-c1ccccn1)C(=O)NC[*:1]
CCS(=O)(=O)NCCNC(=O)c1cnn(-c2ccccn2)c1C c1ccc(nc1)[*:1] CCS(=O)(=O)NCCNC(=O)c1cnn(c1C)[*:1]
CCOc1ccc(/C=C2\C[NH+](CC)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 CCOc1ccc(cc1)[*:1] CC[NH+]1CC(=C[*:1])c2nc3ccccc3c(C(=O)[O-])c2C1
CCOc1ccc(/C=C2\C[NH+](CC)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 CCO[*:1] CC[NH+]1C/C(=C\c2ccc(cc2)[*:1])c2nc3ccccc3c(C(=O)[O-])c2C1
CCOc1ccc(/C=C2\C[NH+](CC)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 O=C([O-])[*:1] CCOc1ccc(/C=C2\C[NH+](CC)Cc3c2nc2ccccc2c3[*:1])cc1
CC(=O)Nc1ccc(NCC(=O)NCc2cccs2)c(C(F)(F)F)c1 c1csc(c1)[*:1] CC(=O)Nc1ccc(NCC(=O)NC[*:1])c(c1)C(F)(F)F
CC(=O)Nc1ccc(NCC(=O)NCc2cccs2)c(C(F)(F)F)c1 c1csc(c1)C[*:1] CC(=O)Nc1ccc(NCC(=O)N[*:1])c(c1)C(F)(F)F
CC(=O)Nc1ccc(NCC(=O)NCc2cccs2)c(C(F)(F)F)c1 CC(=O)N[*:1] O=C(CNc1ccc(cc1C(F)(F)F)[*:1])NCc1cccs1
CC(=O)Nc1ccc(NCC(=O)NCc2cccs2)c(C(F)(F)F)c1 FC(F)(F)[*:1] CC(=O)Nc1ccc(NCC(=O)NCc2cccs2)c(c1)[*:1]
COc1cccc(Cl)c1C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 CC(C)N(C)C(=O)[*:1] COc1cccc(Cl)c1C[NH+]1CCC(CC1)[*:1]
COc1cccc(Cl)c1C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 CC(C)[*:1] COc1cccc(Cl)c1C[NH+]1CCC(CC1)C(=O)N(C)[*:1]
OCC1(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)COC1 Clc1cccc(c1)[*:1] OCC1(COC1)C[NH+]1CCN(CC1)C[*:1]
OCC1(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)COC1 OCC1(COC1)[*:1] Clc1cccc(c1)CN1CC[NH+](CC1)C[*:1]
CCN(Cc1ccccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 Cc1ccccc1[*:1] CCN(C[*:1])C(=O)N[C@@H](C)c1ccc2OCC(=O)Nc2c1
CCN(Cc1ccccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 Cc1ccccc1C[*:1] CCN(C(=O)N[C@@H](C)c1ccc2OCC(=O)Nc2c1)[*:1]
O=C(Nc1cccc(Br)c1)c1nc(N2CCCCC2)c2oc3ccccc3c2n1 Brc1cccc(c1)[*:1] O=C(N[*:1])c1nc(c2oc3ccccc3c2n1)N1CCCCC1
O=C(Nc1cccc(Br)c1)c1nc(N2CCCCC2)c2oc3ccccc3c2n1 C1CCN(CC1)[*:1] O=C(Nc1cccc(Br)c1)c1nc(c2oc3ccccc3c2n1)[*:1]
CN(CC(N)=O)C(=O)c1csc(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] CN(CC(N)=O)C(=O)c1csc(c1)[*:1]
CN(CC(N)=O)C(=O)c1csc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] CN(CC(N)=O)C(=O)c1csc(C=C[*:1])c1
CN(CC(N)=O)C(=O)c1csc(/C=C/C(=O)[O-])c1 NC(=O)[*:1] CN(C[*:1])C(=O)c1csc(/C=C/C(=O)[O-])c1
CN(CC(N)=O)C(=O)c1csc(/C=C/C(=O)[O-])c1 NC(=O)C[*:1] CN(C(=O)c1csc(/C=C/C(=O)[O-])c1)[*:1]
O=C(NCCCNc1cccc[nH+]1)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(NCCCNc1cccc[nH+]1)N1CCC[C@@H]1[*:1]
Cc1ccc2oc(C(=O)N3CCN(c4ccccc4)C[C@H]3C)c(C)c2c1 c1ccc(cc1)[*:1] Cc1ccc2oc(C(=O)N3CCN(C[C@H]3C)[*:1])c(C)c2c1
Cc1ccc(-c2noc(CCCSc3nc(N)cc(N)n3)n2)cc1F Cc1ccc(cc1F)[*:1] Nc1cc(N)nc(n1)SCCCc1nc(no1)[*:1]
Cc1ccc(-c2noc(CCCSc3nc(N)cc(N)n3)n2)cc1F Nc1cc(N)nc(n1)[*:1] Cc1ccc(cc1F)-c1noc(CCCS[*:1])n1
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1nccs1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)Nc1nccs1)[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1nccs1 c1csc(n1)[*:1] C[C@@H]1[C@H](CCN1C(=O)N[*:1])C(=O)[O-]
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 FC(F)(F)c1cccc(c1)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)C(=O)N[*:1])N1CCCC1
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 C1CCN(C1)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 CN(C)S(=O)(=O)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1cc(ccc1N1CCCC1)[*:1]
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)C(=O)Nc1cccc(c1)[*:1])N1CCCC1
COc1ccc([C@H]2CCCN2C(=O)CNc2cccc(F)c2C)cc1 Cc1c(F)cccc1[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)CN[*:1]
COc1ccc([C@H]2CCCN2C(=O)CNc2cccc(F)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(F)cccc1NCC(=O)N1CCC[C@@H]1[*:1]
C[C@H]1CCC[C@H](Nc2ncc(C(=O)[O-])cc2Cl)C1 O=C([O-])[*:1] C[C@H]1CCC[C@@H](C1)Nc1ncc(cc1Cl)[*:1]
CCOc1cc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C[C@H]2CCCO2)ccc1O Cc1ccc(cc1)[*:1] CCOc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1C[C@H]1CCCO1)[*:1]
CCOc1cc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C[C@H]2CCCO2)ccc1O C1CO[C@H](C1)C[*:1] CCOc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccc(C)cc1
CCOc1cc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C[C@H]2CCCO2)ccc1O C1CO[C@H](C1)[*:1] CCOc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1ccc(C)cc1
CCOc1cc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C[C@H]2CCCO2)ccc1O CCOc1cc(ccc1O)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[C@H]3CCCO3)[C@H](c12)[*:1]
CCOc1cc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2C[C@H]2CCCO2)ccc1O CCO[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[C@H]3CCCO3)[C@@H](c3ccc(O)c(c3)[*:1])c12
COc1ccc(Cl)cc1CC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 Cc1cc(C)n(n1)[*:1] COc1ccc(Cl)cc1CC(=O)Nc1ccc(nc1)[*:1]
Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cc(C)no2)c1 Cc1cc(on1)[*:1] Cc1cnn(c1)[C@@H](C)[C@H](C)[NH2+]C[*:1]
Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cc(C)no2)c1 Cc1cnn(c1)[*:1] Cc1cc(C[NH2+][C@@H](C)[C@H](C)[*:1])on1
COc1ccc(-c2n[nH]cc2CN2CCN(CC(F)(F)C(F)F)CC2)cc1 FC(F)C(F)(F)C[*:1] COc1ccc(cc1)-c1n[nH]cc1CN1CCN(CC1)[*:1]
COc1ccc(-c2n[nH]cc2CN2CCN(CC(F)(F)C(F)F)CC2)cc1 FC(F)C(F)(F)[*:1] COc1ccc(cc1)-c1n[nH]cc1CN1CCN(CC1)C[*:1]
COc1ccc(-c2n[nH]cc2CN2CCN(CC(F)(F)C(F)F)CC2)cc1 FC(F)[*:1] COc1ccc(cc1)-c1n[nH]cc1CN1CCN(CC1)CC(F)(F)[*:1]
COc1ccc(-c2n[nH]cc2CN2CCN(CC(F)(F)C(F)F)CC2)cc1 COc1ccc(cc1)[*:1] FC(F)C(F)(F)CN1CCN(CC1)Cc1c[nH]nc1[*:1]
CCc1ccc(NC(=O)[C@@H](C)Nc2cc(C)c(NC(C)=O)c(C)c2)cc1 CCc1ccc(cc1)[*:1] CC(=O)Nc1c(C)cc(cc1C)N[C@H](C)C(=O)N[*:1]
CCc1ccc(NC(=O)[C@@H](C)Nc2cc(C)c(NC(C)=O)c(C)c2)cc1 CC(=O)N[*:1] CCc1ccc(cc1)NC(=O)[C@@H](C)Nc1cc(C)c(c(C)c1)[*:1]
COC(=O)c1ccccc1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 COC(=O)[*:1] c1ccc(c(c1)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[*:1]
CN(C)C(=O)N1CCC(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)CC1 c1ccc(cc1)CC[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N1CCO[C@@H](C1)[*:1]
CN(C)C(=O)N1CCC(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)CC1 c1ccc(cc1)C[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N1CCO[C@H](C1)C[*:1]
CN(C)C(=O)N1CCC(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N1CCO[C@@H](CC[*:1])C1
Cc1ccc2c(CC(=O)OCc3nnnn3-c3ccccc3)coc2c1 c1ccc(cc1)[*:1] Cc1ccc2c(coc2c1)CC(=O)OCc1nnnn1[*:1]
CN(C)C(=O)CN(Cc1nn(-c2ccccc2)c2c1CCC2)c1ccccc1 CN(C)C(=O)C[*:1] c1ccc(cc1)N(Cc1nn(-c2ccccc2)c2CCCc12)[*:1]
CN(C)C(=O)CN(Cc1nn(-c2ccccc2)c2c1CCC2)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)CN(Cc1nn(c2CCCc12)[*:1])c1ccccc1
CN(C)C(=O)CN(Cc1nn(-c2ccccc2)c2c1CCC2)c1ccccc1 CN(C)C(=O)[*:1] c1ccc(cc1)N(Cc1nn(-c2ccccc2)c2CCCc12)C[*:1]
CN(C)C(=O)CN(Cc1nn(-c2ccccc2)c2c1CCC2)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)CN(Cc1nn(-c2ccccc2)c2CCCc12)[*:1]
COc1ccc2cc([C@H](C)C(=O)Nc3cnc4c(cnn4C(C)C)c3)ccc2c1 CC(C)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Nc1cnc2c(cnn2[*:1])c1
Cc1ccc(CNC(=O)c2cc(C)oc2C)c(OC[C@H]2CCOC2)c1 Cc1cc(c(C)o1)[*:1] Cc1ccc(CNC(=O)[*:1])c(c1)OC[C@H]1CCOC1
C[NH+](C)CCc1nnc(NC(=O)N2CCC(C(=O)NCc3ccco3)CC2)s1 c1coc(c1)[*:1] C[NH+](C)CCc1nnc(NC(=O)N2CCC(CC2)C(=O)NC[*:1])s1
C[NH+](C)CCc1nnc(NC(=O)N2CCC(C(=O)NCc3ccco3)CC2)s1 c1coc(c1)C[*:1] C[NH+](C)CCc1nnc(NC(=O)N2CCC(CC2)C(=O)N[*:1])s1
C[NH+](C)CCc1nnc(NC(=O)N2CCC(C(=O)NCc3ccco3)CC2)s1 O=C(NCc1ccco1)[*:1] C[NH+](C)CCc1nnc(NC(=O)N2CCC(CC2)[*:1])s1
COc1ccccc1NC(=O)N1CC[NH+](C(C)C)CC1 CC(C)[*:1] COc1ccccc1NC(=O)N1CC[NH+](CC1)[*:1]
C[C@H]1CCc2nc(CN(C)[C@@H](C)CS(C)(=O)=O)sc2C1 CS(=O)(=O)[*:1] C[C@H]1CCc2nc(CN(C)[C@@H](C)C[*:1])sc2C1
C[C@H]1CCc2nc(CN(C)[C@@H](C)CS(C)(=O)=O)sc2C1 CS(=O)(=O)C[*:1] C[C@H]1CCc2nc(CN(C)[C@@H](C)[*:1])sc2C1
C[C@H]1C[C@H](C)CN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(Cl)ncn2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C1)Nc1cc(Cl)ncn1
C[C@H]1CCCC[C@@H]1OCc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 O=[N+]([O-])[*:1] C[C@H]1CCCC[C@@H]1OCc1nc2ccc(cc2c(=O)[nH]1)[*:1]
C[C@H](c1ccccc1Br)N(C)/C([O-])=N/c1ncnn1C Cn1ncnc1[*:1] C[C@H](c1ccccc1Br)N(C)C([O-])=N[*:1]
Nc1c(N(Cc2ccccc2)C(=O)CC2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 C1CCC(C1)[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(Cc1ccccc1)C(=O)C[*:1]
Nc1c(N(Cc2ccccc2)C(=O)CC2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Nc1c(c(=O)[nH]c(=O)n1[*:1])N(Cc1ccccc1)C(=O)CC1CCCC1
Nc1c(N(Cc2ccccc2)C(=O)CC2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 C1CCC(C1)C[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(Cc1ccccc1)C(=O)[*:1]
Nc1c(N(Cc2ccccc2)C(=O)CC2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(C(=O)CC1CCCC1)[*:1]
Nc1c(N(Cc2ccccc2)C(=O)CC2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(C[*:1])C(=O)CC1CCCC1
Nc1c(N(Cc2ccccc2)C(=O)CC2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] Nc1c(c(=O)[nH]c(=O)n1C[*:1])N(Cc1ccccc1)C(=O)CC1CCCC1
COC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1 Clc1ccc(C[*:1])c(Cl)c1 COC(=O)c1ccccc1NC(=O)c1ccc(=O)n(c1)[*:1]
COC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(=O)n(c1)Cc1ccc(Cl)cc1Cl
COC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1 Clc1ccc(c(Cl)c1)[*:1] COC(=O)c1ccccc1NC(=O)c1ccc(=O)n(c1)C[*:1]
C[C@H](CCO)CNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 Fc1ccc(cc1)[*:1] C[C@H](CCO)CNC(=O)N[C@@H](C1CCC1)[*:1]
C[C@H](CCO)CNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 C[C@H](CCO)C[*:1] O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N[*:1]
C[C@H](CCO)CNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 OCC[*:1] C[C@H](CNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)[*:1]
C[C@H](CCO)CNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 C1CC(C1)[*:1] C[C@H](CCO)CNC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
C[C@H](CCO)CNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 C[C@H](CCO)[*:1] O=C(NC[*:1])N[C@@H](c1ccc(F)cc1)C1CCC1
Cc1ccccc1[C@H]1C[C@H]1C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 Cc1ccccc1[*:1] O=C(NC1(CCCCCC1)c1noc(n1)[C@@H]1CCCO1)[C@@H]1C[C@@H]1[*:1]
Cc1ccccc1[C@H]1C[C@H]1C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 Cc1ccccc1[C@H]1C[C@@H]1[*:1] O=C(NC1(CCCCCC1)c1noc(n1)[C@@H]1CCCO1)[*:1]
Cc1ccccc1[C@H]1C[C@H]1C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 C1CO[C@@H](C1)[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)NC1(CCCCCC1)c1noc(n1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)N[C@H]1CCCc2ccccc21)[*:1]
CC(C)C[NH+](CCc1cnn(C)c1)C1CC1 CC(C)C[*:1] Cn1cc(cn1)CC[NH+](C1CC1)[*:1]
CC(C)C[NH+](CCc1cnn(C)c1)C1CC1 CC(C)[*:1] Cn1cc(cn1)CC[NH+](C[*:1])C1CC1
CC(C)C[NH+](CCc1cnn(C)c1)C1CC1 C1CC1[*:1] CC(C)C[NH+](CCc1cnn(C)c1)[*:1]
O=C([O-])C[C@H]1S/C(=N\N=C\c2cc(Br)ccc2OCc2ccccc2)NC1=O O=C([O-])C[*:1] O=C1N/C(=N/N=C/c2cc(Br)ccc2OCc2ccccc2)S[C@@H]1[*:1]
O=C([O-])C[C@H]1S/C(=N\N=C\c2cc(Br)ccc2OCc2ccccc2)NC1=O O=C([O-])[*:1] O=C1N/C(=N/N=C/c2cc(Br)ccc2OCc2ccccc2)S[C@@H]1C[*:1]
O=C([O-])C[C@H]1S/C(=N\N=C\c2cc(Br)ccc2OCc2ccccc2)NC1=O c1ccc(cc1)CO[*:1] O=C([O-])C[C@H]1S/C(=N\N=C\c2cc(Br)ccc2[*:1])NC1=O
O=C([O-])C[C@H]1S/C(=N\N=C\c2cc(Br)ccc2OCc2ccccc2)NC1=O c1ccc(cc1)[*:1] O=C([O-])C[C@H]1S/C(=N\N=C\c2cc(Br)ccc2OC[*:1])NC1=O
O=C([O-])C[C@H]1S/C(=N\N=C\c2cc(Br)ccc2OCc2ccccc2)NC1=O c1ccc(cc1)C[*:1] O=C([O-])C[C@H]1S/C(=N\N=C\c2cc(Br)ccc2O[*:1])NC1=O
NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 NC(=O)[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N[*:1]
NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CCN(CC1CC1)C(=O)c1cc2c(C)cc(C)cc2[nH]1 C1CC1C[*:1] CCN(C(=O)c1cc2c(C)cc(C)cc2[nH]1)[*:1]
CCN(CC1CC1)C(=O)c1cc2c(C)cc(C)cc2[nH]1 C1CC1[*:1] CCN(C[*:1])C(=O)c1cc2c(C)cc(C)cc2[nH]1
O=C(CSC(=S)N1CCCCCC1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSC(=S)N1CCCCCC1)N[*:1]
Cc1nn(C)c2nc(N(C)[C@H](C)c3ccon3)sc12 c1cc(no1)[*:1] Cc1nn(C)c2nc(sc12)N(C)[C@H](C)[*:1]
NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl NC(=O)[*:1] Clc1ccc2[nH]c(c(Cl)c2c1)[*:1]
CN(C)c1nc2cc(F)ccc2cc1CN(Cc1ccco1)C(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CN(C)c1nc2cc(F)ccc2cc1CN(Cc1ccco1)C(=O)[*:1]
CN(C)c1nc2cc(F)ccc2cc1CN(Cc1ccco1)C(=O)Cc1ccc(F)cc1 c1coc(c1)C[*:1] CN(C)c1nc2cc(F)ccc2cc1CN(C(=O)Cc1ccc(F)cc1)[*:1]
CN(C)c1nc2cc(F)ccc2cc1CN(Cc1ccco1)C(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C)c1nc2cc(F)ccc2cc1CN(Cc1ccco1)C(=O)C[*:1]
CN(C)c1nc2cc(F)ccc2cc1CN(Cc1ccco1)C(=O)Cc1ccc(F)cc1 c1coc(c1)[*:1] CN(C)c1nc2cc(F)ccc2cc1CN(C[*:1])C(=O)Cc1ccc(F)cc1
CN(C)c1nc2cc(F)ccc2cc1CN(Cc1ccco1)C(=O)Cc1ccc(F)cc1 CN(C)[*:1] O=C(Cc1ccc(F)cc1)N(Cc1ccco1)Cc1cc2ccc(F)cc2nc1[*:1]
CC(=O)c1cccc(NC(=O)CN2C(=O)CCC2=O)c1 CC(=O)[*:1] O=C(CN1C(=O)CCC1=O)Nc1cccc(c1)[*:1]
C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)CNCC(F)(F)F O=C([O-])[*:1] C[C@@H]1SC[C@H](N1C(=O)CNCC(F)(F)F)[*:1]
C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)CNCC(F)(F)F FC(F)(F)C[*:1] C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)CN[*:1]
C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)CNCC(F)(F)F FC(F)(F)CN[*:1] C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)C[*:1]
C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)CNCC(F)(F)F FC(F)(F)[*:1] C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)CNC[*:1]
O=C(CCn1cccc1)N1CCOCC1 c1ccn(c1)[*:1] O=C(CC[*:1])N1CCOCC1
COc1cccc(NC(=O)N2CCS[C@]23C(=O)N(Cc2ccc(F)c(F)c2)c2ccccc23)c1 Fc1ccc(cc1F)[*:1] COc1cccc(c1)NC(=O)N1CCS[C@]12C(=O)N(C[*:1])c1ccccc12
COc1cccc(NC(=O)N2CCS[C@]23C(=O)N(Cc2ccc(F)c(F)c2)c2ccccc23)c1 Fc1ccc(cc1F)C[*:1] COc1cccc(c1)NC(=O)N1CCS[C@]12C(=O)N(c1ccccc12)[*:1]
COc1cccc(NC(=O)N2CCS[C@]23C(=O)N(Cc2ccc(F)c(F)c2)c2ccccc23)c1 COc1cccc(c1)[*:1] O=C(N[*:1])N1CCS[C@]12C(=O)N(Cc1ccc(F)c(F)c1)c1ccccc12
O=C(NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(NNC(=O)[C@H](S[*:1])c1ccccc1)c1ccco1
O=C(NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(NNC(=O)[*:1])[C@H](Sc1ccccc1)c1ccccc1
O=C(NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(NNC(=O)[C@H](Sc1ccccc1)[*:1])c1ccco1
O=C(NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccco1 c1ccc(cc1)S[*:1] O=C(NNC(=O)[C@H](c1ccccc1)[*:1])c1ccco1
COc1ccc(-c2cc(=O)n(Cc3ccccc3)cn2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(=O)n(cn1)C[*:1]
COc1ccc(-c2cc(=O)n(Cc3ccccc3)cn2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1cc(=O)n(cn1)[*:1]
CSc1cccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)c1 O=S(=O)(NC1CC1)[*:1] CSc1cccc(c1)NC(=O)c1cc(c(Cl)cc1Cl)[*:1]
CSc1cccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)c1 C1CC1[*:1] CSc1cccc(c1)NC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N[*:1]
CSc1cccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)c1 CSc1cccc(c1)[*:1] O=C(N[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)NC1CC1
CC(=O)N(C)CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 CC(=O)N(C)[*:1] CC(C)OC(=O)c1c(NC(=O)C[*:1])sc2CCCCc21
CC(=O)N(C)CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 CC(C)[*:1] CC(=O)N(C)CC(=O)Nc1sc2CCCCc2c1C(=O)O[*:1]
CC(=O)N(C)CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 CC(C)OC(=O)[*:1] CC(=O)N(C)CC(=O)Nc1sc2CCCCc2c1[*:1]
CC(=O)N(C)CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 CC(=O)N(C)C[*:1] CC(C)OC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
CCc1cccc(C)c1NC(=O)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)N1CCO[C@H](C1)[*:1]
C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCN(c2ccccc2Cl)CC1 Oc1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)N1CCN(CC1)c1ccccc1Cl
C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCN(c2ccccc2Cl)CC1 Oc1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)N1CCN(CC1)c1ccccc1Cl
C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCN(c2ccccc2Cl)CC1 Oc1ccc(cc1)CC[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ccccc1Cl)[*:1]
C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCN(CC1)[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CC[C@H](SC)C2)c1C CCOC(=O)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)c1[nH]c(C)c(c1C)[*:1]
CC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1 CC(=O)N[*:1] O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)NCC(=O)N2CC=C(c3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)NCC(=O)N1CC=C(CC1)[*:1]
Cc1ccc(C(=O)NCC(=O)N2CC=C(c3ccccc3)CC2)s1 Cc1ccc(s1)[*:1] O=C(CNC(=O)[*:1])N1CC=C(CC1)c1ccccc1
C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)N2c3ccccc3OC[C@H]2[*:1])C1=O)c1cc(F)ccc1F
C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)C1=O Fc1ccc(F)c(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)C1=O)[*:1]
O=C(NCc1cc2n(n1)CC[NH2+]C2)c1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCc1cc2C[NH2+]CCn2n1)c1csc(n1)[*:1]
COc1ccc(-c2nsc(NC(=O)[C@@H]3COc4ccccc4O3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc(ns1)[*:1])[C@@H]1COc2ccccc2O1
COc1ccc2nc(NC(=O)COc3ccc(Br)c(C)c3)sc2c1 Cc1cc(ccc1Br)[*:1] COc1ccc2nc(NC(=O)CO[*:1])sc2c1
Cc1c(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)cnn1C O[C@H](C[*:1])c1ccco1 Cc1c(cnn1C)C(=O)N1CCCCC[C@@H]1[*:1]
Cc1c(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)cnn1C O[C@@H](c1ccco1)[*:1] Cc1c(cnn1C)C(=O)N1CCCCC[C@H]1C[*:1]
Cc1c(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)cnn1C c1coc(c1)[*:1] Cc1c(cnn1C)C(=O)N1CCCCC[C@H]1C[C@@H](O)[*:1]
Cc1c(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)cnn1C Cc1c(cnn1C)[*:1] O=C(N1CCCCC[C@H]1C[C@@H](O)c1ccco1)[*:1]
COCCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1F COCCO[*:1] N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(c(F)c1)[*:1]
COCCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1F N#Cc1ccccc1[*:1] COCCOc1ccc(cc1F)[N-]S(=O)(=O)[*:1]
COCCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1F COC[*:1] N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OC[*:1])c(F)c1
COCCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1F COCC[*:1] N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(O[*:1])c(F)c1
CN1CC(=O)N(CC(=O)N2CCCC[C@H]2C(=O)[O-])C1=O O=C([O-])[*:1] CN1CC(=O)N(CC(=O)N2CCCC[C@@H]2[*:1])C1=O
COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nonc1C(=O)[O-] O=C([O-])[*:1] COc1ccc2c(C(=O)O[C@@H]2Nc2nonc2[*:1])c1OC
C[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1[*:1]
C[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1C[*:1]
C[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C=C[*:1])c1nc2ccccc2n1Cc1ccccc1
C[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 C(=C[*:1])c1ccccc1 C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1Cc1ccccc1
CCc1ccc(C2=CCN(C(=O)c3cc(C)no3)CC2)cc1 Cc1cc(on1)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)[*:1]
CCOc1ccccc1[C@@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCC1 CCO[*:1] OC1CS[C@@H](c2ccccc2[*:1])c2c(O)nn(c2N=1)C1CCCCCC1
CCOc1ccccc1[C@@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCC1 CCOc1ccccc1[*:1] OC1CS[C@H](c2c(O)nn(c2N=1)C1CCCCCC1)[*:1]
CCOc1ccccc1[C@@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCC1 C1CCCC(CC1)[*:1] CCOc1ccccc1[C@@H]1SCC(O)=Nc2c1c(O)nn2[*:1]
COc1ccc(S(N)(=O)=O)cc1NC(=O)Cc1ccc(Br)cc1 NS(=O)(=O)[*:1] COc1ccc(cc1NC(=O)Cc1ccc(Br)cc1)[*:1]
COc1ccc(S(N)(=O)=O)cc1NC(=O)Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)C[*:1])S(N)(=O)=O
Nc1nnc(SCC(=O)Nc2ccccc2I)s1 Nc1nnc(s1)[*:1] O=C(CS[*:1])Nc1ccccc1I
CCCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CCCC(=O)N[*:1] c1ccc2c(c1)CC[C@]21C[C@H]1C[*:1]
CCCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CCC[*:1] O=C(NC[C@@H]1C[C@]12CCc1ccccc12)[*:1]
CN(C(=O)c1cnc([C@@H]2CCCO2)s1)[C@H]1CCSC1 C1CO[C@@H](C1)[*:1] CN(C(=O)c1cnc(s1)[*:1])[C@H]1CCSC1
CN(C(=O)c1cnc([C@@H]2CCCO2)s1)[C@H]1CCSC1 C1C[C@@H](CS1)[*:1] CN(C(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
CN(Cc1ccccc1)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)C[*:1] CN(C(=O)NCCN1CCN(CC1)c1ccc(F)cc1)[*:1]
CN(Cc1ccccc1)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)NCCN1CCN(CC1)c1ccc(F)cc1
CN(Cc1ccccc1)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)NCCN1CCN(CC1)[*:1]
CCc1noc(CN2CC[NH+](CCOC(C)C)CC2)n1 CC(C)OC[*:1] CCc1noc(CN2CC[NH+](CC2)C[*:1])n1
CCc1noc(CN2CC[NH+](CCOC(C)C)CC2)n1 CC(C)O[*:1] CCc1noc(CN2CC[NH+](CC2)CC[*:1])n1
CCc1noc(CN2CC[NH+](CCOC(C)C)CC2)n1 CC(C)OCC[*:1] CCc1noc(CN2CC[NH+](CC2)[*:1])n1
CCc1noc(CN2CC[NH+](CCOC(C)C)CC2)n1 CC(C)[*:1] CCc1noc(CN2CC[NH+](CCO[*:1])CC2)n1
CC(C)C[NH2+]C[C@H](C)CCc1nc2ccccc2s1 CC(C)C[*:1] C[C@H](CCc1nc2ccccc2s1)C[NH2+][*:1]
CC(C)C[NH2+]C[C@H](C)CCc1nc2ccccc2s1 CC(C)[*:1] C[C@H](CCc1nc2ccccc2s1)C[NH2+]C[*:1]
COC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC(C)(C)[NH2+]C2(C)C COC(=O)[*:1] Cc1cccc(c1)C(=O)Nc1sc2c(CC(C)(C)[NH2+]C2(C)C)c1[*:1]
COC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC(C)(C)[NH2+]C2(C)C Cc1cccc(c1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc2c1CC(C)(C)[NH2+]C2(C)C
Cc1cnc([C@@H](C)NC(=O)N2CCC(OCc3ccccc3)CC2)s1 c1ccc(cc1)C[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N1CCC(CC1)O[*:1]
Cc1cnc([C@@H](C)NC(=O)N2CCC(OCc3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N1CCC(CC1)OC[*:1]
Cc1cnc([C@@H](C)NC(=O)N2CCC(OCc3ccccc3)CC2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)OCc1ccccc1)[*:1]
Cc1cnc([C@@H](C)NC(=O)N2CCC(OCc3ccccc3)CC2)s1 c1ccc(cc1)CO[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N1CCC(CC1)[*:1]
CC(=O)c1ccccc1OCCN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O CC(=O)[*:1] C[C@@]1(NC(=O)N(CCOc2ccccc2[*:1])C1=O)c1ccc2CCCc2c1
CC(=O)c1ccccc1OCCN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O CC(=O)c1ccccc1[*:1] C[C@@]1(NC(=O)N(CCO[*:1])C1=O)c1ccc2CCCc2c1
CC(=O)c1ccccc1OCCN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O c1cc2CCCc2cc1[*:1] CC(=O)c1ccccc1OCCN1C(=O)N[C@](C)(C1=O)[*:1]
CC(C)(C)n1cnnc1SCc1nnc(-c2ccccc2Cl)o1 Clc1ccccc1[*:1] CC(C)(C)n1cnnc1SCc1nnc(o1)[*:1]
CC(C)(C)n1cnnc1SCc1nnc(-c2ccccc2Cl)o1 CC(C)(C)[*:1] Clc1ccccc1-c1nnc(CSc2nncn2[*:1])o1
C[NH+]1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2n[nH]c(=S)n32)C1 Clc1cccc(c1)[*:1] C[NH+]1CCc2c(C1)sc1c2c(=O)n(c2n[nH]c(=S)n12)[*:1]
CCOc1ccccc1N1CCN(C(=O)N[C@H]2CCCc3c2cnn3C)CC1 CCO[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCN(CC1)c1ccccc1[*:1]
CCOc1ccccc1N1CCN(C(=O)N[C@H]2CCCc3c2cnn3C)CC1 CCOc1ccccc1[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCN(CC1)[*:1]
CC(=O)NN1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O Clc1ccc(cc1)[*:1] CC(=O)NN1C(N)=C(C#N)[C@@H](C2C(=O)CC(C)(C)CC=21)[*:1]
CC(C)[C@H](NS(C)(=O)=O)c1ccccn1 CS(=O)(=O)N[*:1] CC(C)[C@H](c1ccccn1)[*:1]
CC(C)[C@H](NS(C)(=O)=O)c1ccccn1 CC(C)[*:1] CS(=O)(=O)N[C@H](c1ccccn1)[*:1]
Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1ccc(F)c(Cl)c1 C1CC1c1nc(no1)[*:1] Cc1nn(cc1C(=O)Nc1ccc(F)c(Cl)c1)-c1ccc(cc1)[*:1]
Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] Cc1nn(cc1C(=O)N[*:1])-c1ccc(cc1)-c1noc(n1)C1CC1
Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1ccc(F)c(Cl)c1 C1CC1[*:1] Cc1nn(cc1C(=O)Nc1ccc(F)c(Cl)c1)-c1ccc(cc1)-c1noc(n1)[*:1]
Cc1c([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)nnn1-c1ccc(F)cc1 C1CC1[*:1] Cc1c(nnn1-c1ccc(F)cc1)[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1]
Cc1c([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)nnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)C1CC1
COc1ccc2cc([C@@H](C)C(=O)NC(C(N)=O)C(N)=O)ccc2c1 NC(=O)[*:1] COc1ccc2cc(ccc2c1)[C@@H](C)C(=O)NC(C(N)=O)[*:1]
COc1ccc2cc([C@@H](C)C(=O)NC(C(N)=O)C(N)=O)ccc2c1 NC(=O)C(C(N)=O)[*:1] COc1ccc2cc(ccc2c1)[C@@H](C)C(=O)N[*:1]
Cc1c(C(=O)Nc2nnc(C(F)(F)F)s2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1nnc(s1)C(F)(F)F
Cc1c(C(=O)Nc2nnc(C(F)(F)F)s2)cccc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1nnc(s1)[*:1]
CC[C@H]([NH2+][C@H](C)CC1CCOCC1)c1cc(F)ccc1F C1CC(CCO1)[*:1] CC[C@H]([NH2+][C@H](C)C[*:1])c1cc(F)ccc1F
CC[C@H]([NH2+][C@H](C)CC1CCOCC1)c1cc(F)ccc1F C1CC(CCO1)C[*:1] CC[C@H]([NH2+][C@H](C)[*:1])c1cc(F)ccc1F
O=C(CSc1nnc(NC(=O)c2cccs2)s1)NC[C@H]1CCCO1 c1csc(c1)[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)NC[C@H]1CCCO1
O=C(CSc1nnc(NC(=O)c2cccs2)s1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(CSc1nnc(NC(=O)c2cccs2)s1)N[*:1]
O=C(CSc1nnc(NC(=O)c2cccs2)s1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(CSc1nnc(NC(=O)c2cccs2)s1)NC[*:1]
O=C(CSc1nnc(NC(=O)c2cccs2)s1)NC[C@H]1CCCO1 O=C(N[*:1])c1cccs1 O=C(CSc1nnc(s1)[*:1])NC[C@H]1CCCO1
Cc1nn(C)cc1[C@H](C)NC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)/C=C/c1cc(Cl)c2OCOc2c1)[*:1]
CSCCCNC(=O)Nc1ccccc1Cc1ccccc1 CSC[*:1] O=C(NCC[*:1])Nc1ccccc1Cc1ccccc1
CSCCCNC(=O)Nc1ccccc1Cc1ccccc1 CSCCC[*:1] O=C(Nc1ccccc1Cc1ccccc1)N[*:1]
CSCCCNC(=O)Nc1ccccc1Cc1ccccc1 CSCC[*:1] O=C(NC[*:1])Nc1ccccc1Cc1ccccc1
CSCCCNC(=O)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] CSCCCNC(=O)Nc1ccccc1[*:1]
CSCCCNC(=O)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] CSCCCNC(=O)Nc1ccccc1C[*:1]
CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O Brc1ccc(cc1)[*:1] CN1C(=O)S/C(=C/c2ccccc2OC[*:1])C1=O
CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O Brc1ccc(cc1)C[*:1] CN1C(=O)S/C(=C/c2ccccc2O[*:1])C1=O
CCOc1ccc(-c2noc(CN3CCOC[C@H]3C3CC3)n2)cc1 C1CC1[*:1] CCOc1ccc(cc1)-c1noc(CN2CCOC[C@@H]2[*:1])n1
CCOc1ccc(-c2noc(CN3CCOC[C@H]3C3CC3)n2)cc1 CCO[*:1] c1cc(ccc1-c1noc(CN2CCOC[C@H]2C2CC2)n1)[*:1]
C[C@@](N)(C(=O)N1CCC[C@H](CNC(N)=O)C1)C(F)(F)F NC(=O)NC[*:1] C[C@@](N)(C(=O)N1CCC[C@H](C1)[*:1])C(F)(F)F
C[C@@](N)(C(=O)N1CCC[C@H](CNC(N)=O)C1)C(F)(F)F NC(=O)N[*:1] C[C@@](N)(C(=O)N1CCC[C@@H](C1)C[*:1])C(F)(F)F
C[C@@](N)(C(=O)N1CCC[C@H](CNC(N)=O)C1)C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(C(=O)N1CCC[C@H](CNC(N)=O)C1)[*:1]
C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(F)c(F)c1 O=[N+]([O-])[*:1] C[C@H](Nc1ccc(cc1C#N)[*:1])c1ccc(F)c(F)c1
CCn1cc(C(=O)N[C@H](C(=O)Nc2nccs2)C(C)C)c(=O)c2cc3c(cc21)OCO3 CC(C)[*:1] CCn1cc(C(=O)N[C@H](C(=O)Nc2nccs2)[*:1])c(=O)c2cc3OCOc3cc21
CCn1cc(C(=O)N[C@H](C(=O)Nc2nccs2)C(C)C)c(=O)c2cc3c(cc21)OCO3 O=C(Nc1nccs1)[*:1] CCn1cc(C(=O)N[C@H](C(C)C)[*:1])c(=O)c2cc3OCOc3cc21
CCn1cc(C(=O)N[C@H](C(=O)Nc2nccs2)C(C)C)c(=O)c2cc3c(cc21)OCO3 c1csc(n1)[*:1] CCn1cc(C(=O)N[C@H](C(=O)N[*:1])C(C)C)c(=O)c2cc3OCOc3cc21
N#Cc1ccc(OCCNC(=O)NCc2ccnc(-n3ccnc3)c2)cc1 N#Cc1ccc(cc1)O[*:1] O=C(NCC[*:1])NCc1ccnc(c1)-n1ccnc1
N#Cc1ccc(OCCNC(=O)NCc2ccnc(-n3ccnc3)c2)cc1 c1cn(cn1)[*:1] N#Cc1ccc(cc1)OCCNC(=O)NCc1ccnc(c1)[*:1]
N#Cc1ccc(OCCNC(=O)NCc2ccnc(-n3ccnc3)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])NCc1ccnc(c1)-n1ccnc1
COc1cc(NC(=O)c2cc(C)cc(C)c2)c(OC)cc1NC(=O)c1ccccc1 Cc1cc(C)cc(c1)[*:1] COc1cc(NC(=O)[*:1])c(cc1NC(=O)c1ccccc1)OC
COc1cc(NC(=O)c2cc(C)cc(C)c2)c(OC)cc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 COc1cc(c(cc1NC(=O)c1cc(C)cc(C)c1)OC)[*:1]
COc1cc(NC(=O)c2cc(C)cc(C)c2)c(OC)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(NC(=O)[*:1])c(cc1NC(=O)c1cc(C)cc(C)c1)OC
Nc1cccc(-c2cc(C(F)(F)F)cnc2N2CCOCC2)c1 FC(F)(F)[*:1] Nc1cccc(c1)-c1cc(cnc1N1CCOCC1)[*:1]
Nc1cccc(-c2cc(C(F)(F)F)cnc2N2CCOCC2)c1 Nc1cccc(c1)[*:1] FC(F)(F)c1cnc(c(c1)[*:1])N1CCOCC1
Nc1cccc(-c2cc(C(F)(F)F)cnc2N2CCOCC2)c1 C1CN(CCO1)[*:1] Nc1cccc(c1)-c1cc(cnc1[*:1])C(F)(F)F
COc1cc(S(=O)(=O)Nc2ccccc2O)c(OC)cc1C Oc1ccccc1[*:1] COc1cc(c(cc1C)OC)S(=O)(=O)N[*:1]
C[C@@H](Nc1nc2c(N)cccc2o1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](Nc1nc2c(N)cccc2o1)[*:1]
CCc1n[nH]c(S[C@H](C)C(=O)NCCOC)n1 COCC[*:1] CCc1n[nH]c(n1)S[C@H](C)C(=O)N[*:1]
CCc1n[nH]c(S[C@H](C)C(=O)NCCOC)n1 COC[*:1] CCc1n[nH]c(n1)S[C@H](C)C(=O)NC[*:1]
CCOc1ccc2[nH]c3c(N4C[C@@H](C)C[C@H](C)C4)ncnc3c2c1 CCO[*:1] C[C@H]1C[C@H](C)CN(C1)c1ncnc2c1[nH]c1ccc(cc12)[*:1]
CC1(C)Cc2cccc(OCC(=O)Nc3c(F)cccc3F)c2O1 Fc1cccc(F)c1[*:1] CC1(C)Cc2cccc(OCC(=O)N[*:1])c2O1
COc1ccc2nc(NC3CC[NH+](CCN(C)C)CC3)c(C)cc2c1 CN(C)[*:1] COc1ccc2nc(NC3CC[NH+](CC3)CC[*:1])c(C)cc2c1
COc1ccc2nc(NC3CC[NH+](CCN(C)C)CC3)c(C)cc2c1 CN(C)CC[*:1] COc1ccc2nc(NC3CC[NH+](CC3)[*:1])c(C)cc2c1
COc1ccc2nc(NC3CC[NH+](CCN(C)C)CC3)c(C)cc2c1 CN(C)C[*:1] COc1ccc2nc(NC3CC[NH+](CC3)C[*:1])c(C)cc2c1
Cc1nc(S(=O)(=O)N2CC[NH+](C3C[C@@H](C)C[C@H](C)C3)CC2)cn1C Cc1nc(cn1C)[*:1] C[C@@H]1CC(C[C@@H](C)C1)[NH+]1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc2c(=O)c(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c12 CC(C)(C)[*:1] Cc1cccc2c(=O)c(c[nH]c12)NC(=O)N1CCN(CC1)C(=O)O[*:1]
C[C@@H](CC(=O)Nc1nccs1)c1ccc(F)cc1 c1csc(n1)[*:1] C[C@@H](CC(=O)N[*:1])c1ccc(F)cc1
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CC(c4ccc(Cl)s4)=NO3)c2)n1 CCc1cc(=O)[nH]c(n1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CC(=NO1)c1ccc(Cl)s1
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CC(c4ccc(Cl)s4)=NO3)c2)n1 Clc1ccc(s1)[*:1] CCc1cc(=O)[nH]c(n1)-c1cccc(c1)NC(=O)[C@H]1CC(=NO1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@@H](C)n2nc(C)cc2C)CC1 CCOC(=O)[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)N1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@@H](C)n2nc(C)cc2C)CC1 Cc1cc(C)n(n1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[C@@H](C)[*:1]
CC(C)(C)c1ccc(=O)n(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 CC(C)(C)[*:1] O=c1ccc(nn1CN1CCO[C@H](C1)c1ccc(Cl)cc1)[*:1]
CC(C)(C)c1ccc(=O)n(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 Clc1ccc(cc1)[*:1] CC(C)(C)c1ccc(=O)n(CN2CCO[C@@H](C2)[*:1])n1
N#C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CCSC1 FC(F)(F)[*:1] N#C[C@]1(CCSC1)NC(=O)[C@@H]1C[C@H]1c1ccccc1[*:1]
CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC1CCCCC1 CC[C@H](C)[*:1] O=C(N[C@@H](C(=O)NC1CCCCC1)[*:1])[C@@H]1Cc2ccccc2C[NH2+]1
CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)[*:1]
CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[*:1]
O=S(=O)(c1ccccc1)N(Cc1ccccn1)Cc1ccco1 c1ccc(cc1)[*:1] O=S(=O)(N(Cc1ccccn1)Cc1ccco1)[*:1]
O=S(=O)(c1ccccc1)N(Cc1ccccn1)Cc1ccco1 c1ccc(C[*:1])nc1 O=S(=O)(c1ccccc1)N(Cc1ccco1)[*:1]
O=S(=O)(c1ccccc1)N(Cc1ccccn1)Cc1ccco1 c1coc(c1)[*:1] O=S(=O)(c1ccccc1)N(Cc1ccccn1)C[*:1]
O=S(=O)(c1ccccc1)N(Cc1ccccn1)Cc1ccco1 c1coc(c1)C[*:1] O=S(=O)(c1ccccc1)N(Cc1ccccn1)[*:1]
O=S(=O)(c1ccccc1)N(Cc1ccccn1)Cc1ccco1 c1ccc(nc1)[*:1] O=S(=O)(c1ccccc1)N(Cc1ccco1)C[*:1]
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cc2cc(Br)ccc2oc1=O Clc1ccc(cc1)[*:1] C/C(=N\NC(=O)[*:1])c1cc2cc(Br)ccc2oc1=O
Cc1cccc(Cn2cc(Br)c(NC(=O)c3ccccc3C)n2)c1 Cc1cccc(c1)[*:1] Cc1ccccc1C(=O)Nc1nn(cc1Br)C[*:1]
Cc1cccc(Cn2cc(Br)c(NC(=O)c3ccccc3C)n2)c1 Cc1ccccc1[*:1] Cc1cccc(c1)Cn1cc(Br)c(n1)NC(=O)[*:1]
Cc1cccc(Cn2cc(Br)c(NC(=O)c3ccccc3C)n2)c1 Cc1cccc(c1)C[*:1] Cc1ccccc1C(=O)Nc1nn(cc1Br)[*:1]
COc1ccc([C@H](NS(=O)(=O)c2cccs2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NS(=O)(=O)c1cccs1)[*:1]
COc1ccc([C@H](NS(=O)(=O)c2cccs2)C2CC2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)[C@H](NS(=O)(=O)[*:1])C1CC1
CNc1nc([C@H]2CCCCN2CC(=O)N(C)C2CCCCC2)[nH+]c2c1CCN(C(C)=O)C2 CN(C(=O)[*:1])C1CCCCC1 CNc1nc([nH+]c2CN(CCc12)C(C)=O)[C@H]1CCCCN1C[*:1]
CNc1nc([C@H]2CCCCN2CC(=O)N(C)C2CCCCC2)[nH+]c2c1CCN(C(C)=O)C2 C1CCC(CC1)[*:1] CNc1nc([nH+]c2CN(CCc12)C(C)=O)[C@H]1CCCCN1CC(=O)N(C)[*:1]
CC(/C=N/NC(=O)[C@H]1C=C(c2ccc(F)cc2)N=N1)=C\c1ccccc1 Fc1ccc(cc1)[*:1] CC(/C=N/NC(=O)[C@H]1C=C(N=N1)[*:1])=C\c1ccccc1
CC(/C=N/NC(=O)[C@H]1C=C(c2ccc(F)cc2)N=N1)=C\c1ccccc1 c1ccc(cc1)[*:1] CC(/C=N/NC(=O)[C@H]1C=C(N=N1)c1ccc(F)cc1)=C[*:1]
CCc1ccc([C@H]([NH2+]C)[C@@H](C)Sc2ccncc2)cc1 c1cc(ccn1)[*:1] CCc1ccc(cc1)[C@H]([NH2+]C)[C@@H](C)S[*:1]
O=C(NNc1nc2ccccc2s1)Nc1ccc(-c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] O=C(NNc1nc2ccccc2s1)Nc1ccc(cc1)[*:1]
CCC(C)(C)C1CCC([NH2+]Cc2nc(C)cs2)CC1 Cc1csc(n1)[*:1] CCC(C)(C)C1CCC(CC1)[NH2+]C[*:1]
CCC(C)(C)C1CCC([NH2+]Cc2nc(C)cs2)CC1 CCC(C)(C)[*:1] Cc1csc(C[NH2+]C2CCC(CC2)[*:1])n1
CCC[C@H]1C[C@@H]1NC(=O)NCc1cc(F)cc(OC)c1 CCC[*:1] COc1cc(F)cc(c1)CNC(=O)N[C@H]1C[C@@H]1[*:1]
CCCCNC(=O)NCC(=O)N1CCCc2ccccc21 CCC[*:1] O=C(NCC(=O)N1CCCc2ccccc21)NC[*:1]
CCCCNC(=O)NCC(=O)N1CCCc2ccccc21 CCCC[*:1] O=C(NCC(=O)N1CCCc2ccccc21)N[*:1]
CC(C)CC(C)(C)CNC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 CC(C)CC(C)(C)[*:1] C[C@@H](NC(=O)NC[*:1])c1nc(no1)C(C)(C)C
CC(C)CC(C)(C)CNC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] CC(C)CC(C)(C)CNC(=O)N[C@H](C)c1nc(no1)[*:1]
CC(C)CC(C)(C)CNC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 CC(C)[*:1] C[C@@H](NC(=O)NCC(C)(C)C[*:1])c1nc(no1)C(C)(C)C
CC(C)CC(C)(C)CNC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 CC(C)C[*:1] C[C@@H](NC(=O)NCC(C)(C)[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)c1ccccc1)C(=O)N(C)[C@H](C)C1CC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N(C)[C@H](C)C1CC1
C[C@H](NC(=O)c1ccccc1)C(=O)N(C)[C@H](C)C1CC1 C[C@H](C1CC1)[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N(C)[*:1]
C[C@H](NC(=O)c1ccccc1)C(=O)N(C)[C@H](C)C1CC1 C1CC1[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N(C)[C@H](C)[*:1]
CCCC[S@](=O)Cc1nc(-c2cccc(OC)c2)no1 CCC[*:1] COc1cccc(c1)-c1noc(C[S@@](=O)C[*:1])n1
CCCC[S@](=O)Cc1nc(-c2cccc(OC)c2)no1 CCCC[*:1] COc1cccc(c1)-c1noc(C[S@@](=O)[*:1])n1
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@H]2CC(=O)Nc1ccc(C)c(Cl)c1 Clc1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)Nc2ccc(C)c(Cl)c2)c1[*:1]
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@H]2CC(=O)Nc1ccc(C)c(Cl)c1 Cc1ccc(cc1Cl)[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)N[*:1])c1-c1ccc(Cl)cc1
Cc1cc(C[NH2+]C(C)(C)C)cc(C)c1O[C@H](C)[C@@H](C)O CC(C)(C)[*:1] Cc1cc(cc(C)c1O[C@H](C)[C@@H](C)O)C[NH2+][*:1]
Cc1cc(C[NH2+]C(C)(C)C)cc(C)c1O[C@H](C)[C@@H](C)O C[C@@H](O)[C@@H](C)O[*:1] Cc1cc(cc(C)c1[*:1])C[NH2+]C(C)(C)C
Cc1cc(C[NH2+]C(C)(C)C)cc(C)c1O[C@H](C)[C@@H](C)O C[C@@H](O)[*:1] Cc1cc(cc(C)c1O[C@H](C)[*:1])C[NH2+]C(C)(C)C
Cc1cc(C[NH2+]C(C)(C)C)cc(C)c1O[C@H](C)[C@@H](C)O C[C@@H](O)[C@@H](C)[*:1] Cc1cc(cc(C)c1O[*:1])C[NH2+]C(C)(C)C
CCc1nn(C)cc1CNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)[C@H]1C[C@@H]1[*:1]
COc1ccccc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)[*:1]
COc1ccccc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 COc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[*:1]
O=[N+]([O-])c1cc(Cl)c(NC2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(Cl)c(NC2CC2)c(c1)[*:1]
O=[N+]([O-])c1cc(Cl)c(NC2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] O=[N+]([O-])c1cc(Cl)c(N[*:1])c(c1)[N+](=O)[O-]
O=[N+]([O-])c1cc(Cl)c(NC2CC2)c([N+](=O)[O-])c1 C1CC1N[*:1] O=[N+]([O-])c1cc(Cl)c(c(c1)[N+](=O)[O-])[*:1]
O=[N+]([O-])c1cc(Cl)c(NC2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(cc(Cl)c1NC1CC1)[*:1]
COC(=O)c1ccc(-c2ccco2)n1CC(=O)N1CCN(c2cccc[nH+]2)CC1 COC(=O)[*:1] O=C(Cn1c(ccc1[*:1])-c1ccco1)N1CCN(CC1)c1cccc[nH+]1
COC(=O)c1ccc(-c2ccco2)n1CC(=O)N1CCN(c2cccc[nH+]2)CC1 c1coc(c1)[*:1] COC(=O)c1ccc(n1CC(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
C[C@@H](CC[NH2+][C@@H]1CCSc2ccc(Br)cc21)[S@](C)=O C[S@](=O)[*:1] C[C@@H](CC[NH2+][C@@H]1CCSc2ccc(Br)cc21)[*:1]
CCCOc1ccccc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 CCC[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1ccccc1O[*:1]
CCCOc1ccccc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 CCCO[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1ccccc1[*:1]
CC(C)c1cccc2sc(N3CCN(C(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC3)nc12 O=[N+]([O-])[*:1] CC(C)c1cccc2sc(nc12)N1CCN(CC1)C(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CC(C)c1cccc2sc(N3CCN(C(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC3)nc12 CC(C)[*:1] O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N1CCN(CC1)c1nc2c(cccc2s1)[*:1]
Cc1ccc2[nH]cc(CCC(=O)N(C3CC3)[C@@H](C)C3CC3)c2c1 C1CC1[*:1] Cc1ccc2[nH]cc(CCC(=O)N(C3CC3)[C@@H](C)[*:1])c2c1
Cc1ccc2[nH]cc(CCC(=O)N(C3CC3)[C@@H](C)C3CC3)c2c1 C1CC1[*:1] Cc1ccc2[nH]cc(CCC(=O)N([C@@H](C)C3CC3)[*:1])c2c1
Cc1ccccc1[C@@H](CC(=O)N1CCC2=NN=C[C@H]2C1)c1ccccc1 Cc1ccccc1[*:1] O=C(C[C@@H](c1ccccc1)[*:1])N1CCC2=NN=C[C@H]2C1
Cc1ccccc1[C@@H](CC(=O)N1CCC2=NN=C[C@H]2C1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1[C@@H](CC(=O)N1CCC2=NN=C[C@H]2C1)[*:1]
CC(C)[C@H](CNC(=O)NCCc1nnc2n1CCC2)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](CNC(=O)NCCc1nnc2CCCn21)[*:1]
CC(C)[C@H](CNC(=O)NCCc1nnc2n1CCC2)c1ccccc1 CC(C)[*:1] O=C(NCCc1nnc2CCCn21)NC[C@H](c1ccccc1)[*:1]
CC(C)[C@H](CNC(=O)NCCc1nnc2n1CCC2)c1ccccc1 C1Cc2nnc(n2C1)[*:1] CC(C)[C@H](CNC(=O)NCC[*:1])c1ccccc1
CC(C)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O CC(C)CC[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1[*:1]
CC(C)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O CC(C)[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC[*:1]
CC(C)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O CC(C)C[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[*:1]
CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2)cc1 CCO[*:1] CCc1nnc2S[C@H](C(=O)Nc3cccc(Cl)c3)[C@H](Nn12)c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CCOc1ccc(cc1)[C@H]1Nn2c(CC)nnc2S[C@@H]1C(=O)N[*:1]
CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2)cc1 O=C(Nc1cccc(Cl)c1)[*:1] CCOc1ccc(cc1)[C@H]1Nn2c(CC)nnc2S[C@H]1[*:1]
CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2)cc1 CCOc1ccc(cc1)[*:1] CCc1nnc2S[C@H](C(=O)Nc3cccc(Cl)c3)[C@H](Nn12)[*:1]
CS(=O)(=O)Cc1nc(CN2CCO[C@@H](C#N)C2)cs1 CS(=O)(=O)C[*:1] N#C[C@H]1CN(CCO1)Cc1csc(n1)[*:1]
CS(=O)(=O)Cc1nc(CN2CCO[C@@H](C#N)C2)cs1 CS(=O)(=O)[*:1] N#C[C@H]1CN(CCO1)Cc1csc(C[*:1])n1
CCCC/[NH+]=C/c1ccc2oc(C(=O)OCC)c(C)c2c1Cl CCOC(=O)[*:1] CCCC/[NH+]=C/c1ccc2oc(c(C)c2c1Cl)[*:1]
CCCC/[NH+]=C/c1ccc2oc(C(=O)OCC)c(C)c2c1Cl CCC[*:1] CCOC(=O)c1oc2ccc(/C=[NH+]/C[*:1])c(Cl)c2c1C
CCCC/[NH+]=C/c1ccc2oc(C(=O)OCC)c(C)c2c1Cl CCCC[*:1] CCOC(=O)c1oc2ccc(C=[NH+][*:1])c(Cl)c2c1C
O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCc1ccccc1Cl Fc1ccccc1[*:1] O=C(CN1C(=O)C(=C[*:1])Sc2ccccc21)NCc1ccccc1Cl
O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)N[*:1]
O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NC[*:1]
N#Cc1cccc(OCC[NH+]2CCC(c3n[nH]c(C4CC4)n3)CC2)c1 C1CC1c1nc(n[nH]1)[*:1] N#Cc1cccc(c1)OCC[NH+]1CCC(CC1)[*:1]
N#Cc1cccc(OCC[NH+]2CCC(c3n[nH]c(C4CC4)n3)CC2)c1 C1CC1[*:1] N#Cc1cccc(c1)OCC[NH+]1CCC(CC1)c1n[nH]c(n1)[*:1]
N#Cc1cccc(OCC[NH+]2CCC(c3n[nH]c(C4CC4)n3)CC2)c1 N#Cc1cccc(c1)[*:1] C(C[NH+]1CCC(CC1)c1n[nH]c(n1)C1CC1)O[*:1]
COc1cccc(CNC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1 O=C(Nc1ccc(Cl)cc1)[*:1] COc1cccc(c1)CNC(=O)N1CCC[C@H](C1)c1nnc(s1)[*:1]
COc1cccc(CNC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)[C@@H]1CCCN(C1)C(=O)NC[*:1]
COc1cccc(CNC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1 COc1cccc(c1)C[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1cccc(CNC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)N1CCC[C@H](C1)c1nnc(s1)C(=O)N[*:1]
COc1cc(-c2noc(CN(CCc3ccccc3)C(C)=O)n2)ccn1 c1ccc(cc1)[*:1] COc1cc(ccn1)-c1noc(CN(CC[*:1])C(C)=O)n1
COc1cc(-c2noc(CN(CCc3ccccc3)C(C)=O)n2)ccn1 c1ccc(cc1)CC[*:1] COc1cc(ccn1)-c1noc(CN(C(C)=O)[*:1])n1
COc1cc(-c2noc(CN(CCc3ccccc3)C(C)=O)n2)ccn1 COc1cc(ccn1)[*:1] CC(=O)N(CCc1ccccc1)Cc1nc(no1)[*:1]
COc1cc(-c2noc(CN(CCc3ccccc3)C(C)=O)n2)ccn1 c1ccc(cc1)C[*:1] COc1cc(ccn1)-c1noc(CN(C[*:1])C(C)=O)n1
CCCN1CCN[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O c1cncc(c1)[*:1] CCCN1CCN[C@@H](Cc2cccc(c2)[*:1])C1=O
CCCN1CCN[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O CCC[*:1] O=C1[C@H](Cc2cccc(c2)-c2cccnc2)NCCN1[*:1]
COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N(C)c3ccccc3)n2)cc1 COc1ccc(cc1)[*:1] C[C@H](Sc1nc(n[nH]1)[*:1])C(=O)N(C)c1ccccc1
COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N(C)c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1n[nH]c(n1)S[C@@H](C)C(=O)N(C)[*:1]
C#Cc1cccc(NC(=O)N[C@@H](CO)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] C#Cc1cccc(c1)NC(=O)N[C@@H](CO)[*:1]
C#Cc1cccc(NC(=O)N[C@@H](CO)Cc2ccccc2)c1 c1ccc(cc1)[*:1] C#Cc1cccc(c1)NC(=O)N[C@@H](CO)C[*:1]
COC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2 c1ccc(cc1)[*:1] COC(=O)N1CCC2(CC1)C[C@H](C(=O)N(C)C2)[*:1]
Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccccc1OCC(C)C)CC(O)=N2 CC(C)CO[*:1] Cc1nn(-c2ccc3nnc(C)n3n2)c2N=C(O)C[C@@H](c3ccccc3[*:1])c12
Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccccc1OCC(C)C)CC(O)=N2 CC(C)C[*:1] Cc1nn(-c2ccc3nnc(C)n3n2)c2N=C(O)C[C@@H](c3ccccc3O[*:1])c12
Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccccc1OCC(C)C)CC(O)=N2 Cc1nnc2ccc(nn12)[*:1] Cc1nn(c2N=C(O)C[C@@H](c3ccccc3OCC(C)C)c12)[*:1]
Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccccc1OCC(C)C)CC(O)=N2 CC(C)[*:1] Cc1nn(-c2ccc3nnc(C)n3n2)c2N=C(O)C[C@@H](c3ccccc3OC[*:1])c12
CC[C@](C)([C@@H](N)c1cccc(OC(C)C)c1)[NH+](C)C CC(C)O[*:1] CC[C@](C)([C@@H](N)c1cccc(c1)[*:1])[NH+](C)C
CC[C@](C)([C@@H](N)c1cccc(OC(C)C)c1)[NH+](C)C CC(C)[*:1] CC[C@](C)([C@@H](N)c1cccc(c1)O[*:1])[NH+](C)C
C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NS(=O)(=O)c1ccccc1)[*:1]
CCCC[C@H](C(=O)[O-])[C@@]1(O)CCCc2ccccc21 CCCC[*:1] O=C([O-])[C@H]([C@@]1(O)CCCc2ccccc21)[*:1]
CCCC[C@H](C(=O)[O-])[C@@]1(O)CCCc2ccccc21 O=C([O-])[*:1] CCCC[C@H]([C@@]1(O)CCCc2ccccc21)[*:1]
CCCC[C@H](C(=O)[O-])[C@@]1(O)CCCc2ccccc21 CCC[*:1] O=C([O-])[C@@H](C[*:1])[C@@]1(O)CCCc2ccccc21
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(C)cs3)CC2)cc1 CC(=O)N[*:1] Cc1csc(n1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(C)cs3)CC2)cc1 Cc1csc(n1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1cc(NC(=O)c2ccc(S(N)(=O)=O)c(F)c2)ccc1OC(C)C NS(=O)(=O)[*:1] Cc1cc(ccc1OC(C)C)NC(=O)c1ccc(c(F)c1)[*:1]
Cc1cc(NC(=O)c2ccc(S(N)(=O)=O)c(F)c2)ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])NC(=O)c1ccc(c(F)c1)S(N)(=O)=O
Cc1cc(NC(=O)c2ccc(S(N)(=O)=O)c(F)c2)ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ccc(c(F)c1)S(N)(=O)=O
COc1cccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1F Clc1ccc(cc1)C[*:1] COc1cccc(C(=O)Nc2cnn(c2)[*:1])c1F
COc1cccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1F Clc1ccc(cc1)[*:1] COc1cccc(C(=O)Nc2cnn(c2)C[*:1])c1F
CCc1nn(C)cc1NC(=O)C(=O)NCCCN1CCCCCC1=O CCc1nn(C)cc1[*:1] O=C(NCCCN1CCCCCC1=O)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCCCN1CCCCCC1=O O=C1CCCCCN1[*:1] CCc1nn(C)cc1NC(=O)C(=O)NCCC[*:1]
O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cccc(c1)[*:1]
O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 C1CCN(C1)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
N#C[C@@]1(NC2CC2)CC[C@H](N2CCn3cnnc3C2)C1 C1CC1[*:1] N#C[C@]1(CC[C@@H](C1)N1CCn2cnnc2C1)N[*:1]
N#C[C@@]1(NC2CC2)CC[C@H](N2CCn3cnnc3C2)C1 C1CC1N[*:1] N#C[C@]1(CC[C@@H](C1)N1CCn2cnnc2C1)[*:1]
O=C(CCCNC(=O)c1ccco1)Nc1cccc(C2SCCS2)c1 C1CSC(S1)[*:1] O=C(CCCNC(=O)c1ccco1)Nc1cccc(c1)[*:1]
O=C(CCCNC(=O)c1ccco1)Nc1cccc(C2SCCS2)c1 c1coc(c1)[*:1] O=C(CCCNC(=O)[*:1])Nc1cccc(c1)C1SCCS1
O=C(CCCNC(=O)c1ccco1)Nc1cccc(C2SCCS2)c1 O=C(N[*:1])c1ccco1 O=C(CCC[*:1])Nc1cccc(c1)C1SCCS1
O=C(Nc1cccc2cccnc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc2cccnc12)[*:1]
O=C(c1cn(Cc2ccccc2)nn1)N1CCc2ccccc2C1 c1ccc(cc1)[*:1] O=C(c1cn(C[*:1])nn1)N1CCc2ccccc2C1
O=C(c1cn(Cc2ccccc2)nn1)N1CCc2ccccc2C1 c1ccc(cc1)C[*:1] O=C(c1cn(nn1)[*:1])N1CCc2ccccc2C1
N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1N c1ccc(cc1)[*:1] N#Cc1c(cc(nc1N)[*:1])-c1ccc(F)cc1
N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1N Fc1ccc(cc1)[*:1] N#Cc1c(cc(nc1N)-c1ccccc1)[*:1]
Cc1ccc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)nn1 c1ccc(nc1)[*:1] Cc1ccc(nn1)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
Cc1ccc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)nn1 c1ccc(C[*:1])nc1 Cc1ccc(nn1)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
Cc1ccc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)nn1 Cc1ccc(nn1)[*:1] O=C1[C@H]2CC[C@H](CN(C2)[*:1])N1Cc1ccccn1
CC(C)CCCCNC(=O)N[C@H]1CCN(C)C1=O CC(C)CCC[*:1] CN1CC[C@H](NC(=O)NC[*:1])C1=O
CC(C)CCCCNC(=O)N[C@H]1CCN(C)C1=O CC(C)C[*:1] CN1CC[C@H](NC(=O)NCCC[*:1])C1=O
CC(C)CCCCNC(=O)N[C@H]1CCN(C)C1=O CC(C)[*:1] CN1CC[C@H](NC(=O)NCCCC[*:1])C1=O
CC(C)CCCCNC(=O)N[C@H]1CCN(C)C1=O CC(C)CC[*:1] CN1CC[C@H](NC(=O)NCC[*:1])C1=O
O=C1NCCN1c1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1 O=C1NCCN1[*:1] Clc1ccccc1Cc1noc(n1)-c1ccc(cc1)[*:1]
O=C1NCCN1c1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1 Clc1ccccc1C[*:1] O=C1NCCN1c1ccc(cc1)-c1nc(no1)[*:1]
O=C1NCCN1c1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1 Clc1ccccc1[*:1] O=C1NCCN1c1ccc(cc1)-c1nc(C[*:1])no1
C[C@@H](O)[C@H](C)c1ccc(F)c(F)c1F C[C@@H](O)[*:1] C[C@H](c1ccc(F)c(F)c1F)[*:1]
CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCCCCCC1 CC(C)[*:1] O=C([C@@H]1CCCN1C(=O)[*:1])N1CCCCCCC1
O=C(COC(=O)CC1=c2ccccc2=[NH+]C1)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] O=C(COC(=O)CC1C[NH+]=c2ccccc2=1)N[*:1]
CN(CCS(C)(=O)=O)[C@@]1(C[NH3+])CCC[C@H](C2CC2)C1 C1CC1[*:1] CN(CCS(C)(=O)=O)[C@@]1(C[NH3+])CCC[C@H](C1)[*:1]
CN(CCS(C)(=O)=O)[C@@]1(C[NH3+])CCC[C@H](C2CC2)C1 CS(=O)(=O)CC[*:1] CN([C@@]1(C[NH3+])CCC[C@@H](C1)C1CC1)[*:1]
CN(CCS(C)(=O)=O)[C@@]1(C[NH3+])CCC[C@H](C2CC2)C1 CS(=O)(=O)[*:1] CN(CC[*:1])[C@@]1(C[NH3+])CCC[C@@H](C1)C1CC1
CN(CCS(C)(=O)=O)[C@@]1(C[NH3+])CCC[C@H](C2CC2)C1 CS(=O)(=O)C[*:1] CN(C[*:1])[C@@]1(C[NH3+])CCC[C@@H](C1)C1CC1
Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](C)[C@@H]2C)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)N1CCC[C@H](C)[C@@H]1C)[*:1]
Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](C)[C@@H]2C)N2CCOCC2)o1 Cc1ccc(o1)[*:1] C[C@H]1CCCN(C(=O)NC[C@@H](N2CCOCC2)[*:1])[C@H]1C
OCCN1CC[NH+](C2CCN(C3CCCCCC3)CC2)CC1 C1CCCC(CC1)[*:1] OCCN1CC[NH+](CC1)C1CCN(CC1)[*:1]
OCCN1CC[NH+](C2CCN(C3CCCCCC3)CC2)CC1 OCC[*:1] C1CCCC(CC1)N1CCC(CC1)[NH+]1CCN(CC1)[*:1]
Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cccnc1 c1cncc(c1)[*:1] Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)[*:1]
O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 O=S(=O)(N1CCCC1)[*:1] O=C(NCC1(CCCCC1)N1CCOCC1)c1cc(c[nH]1)[*:1]
O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 C1CN(CCO1)[*:1] O=C(NCC1(CCCCC1)[*:1])c1cc(c[nH]1)S(=O)(=O)N1CCCC1
CC[NH2+]Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 c1ccc(cc1)[*:1] CC[NH2+]Cc1c(C)nn(c1Oc1ccc(F)cc1)[*:1]
CC[NH2+]Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] CC[NH2+]Cc1c(C)nn(-c2ccccc2)c1[*:1]
CC[NH2+]Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[NH2+]Cc1c(C)nn(-c2ccccc2)c1O[*:1]
CCc1cc(OC(=O)C[C@@H]2CCCO2)ccc1Cl C1CO[C@@H](C1)C[*:1] CCc1cc(ccc1Cl)OC(=O)[*:1]
CCc1cc(OC(=O)C[C@@H]2CCCO2)ccc1Cl C1CO[C@@H](C1)[*:1] CCc1cc(ccc1Cl)OC(=O)C[*:1]
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccs1)[C@H]1C=C[C@@H]2C12CC2 c1csc(c1)[*:1] O=C1[C@@H]2[C@@H](C(=O)N1N=C[*:1])[C@H]1C=C[C@@H]2C12CC2
CN1CCN(C(=O)[C@@H]2CCCN2C(=O)Nc2cccc(C#N)c2)CC1 N#Cc1cccc(c1)[*:1] CN1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)N[*:1]
COC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1C Cc1ccccc1[*:1] COC(=O)CSc1nnc(-c2ccccc2)n1[*:1]
COC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1C COC(=O)[*:1] Cc1ccccc1-n1c(nnc1-c1ccccc1)SC[*:1]
COC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1C COC(=O)CS[*:1] Cc1ccccc1-n1c(nnc1[*:1])-c1ccccc1
COC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1C c1ccc(cc1)[*:1] COC(=O)CSc1nnc(n1-c1ccccc1C)[*:1]
COC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1C COC(=O)C[*:1] Cc1ccccc1-n1c(nnc1-c1ccccc1)S[*:1]
COc1cc(C)ccc1OCCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O FC(F)(F)[*:1] COc1cc(C)ccc1OCCC(=O)Nc1cc(c[nH]c1=O)[*:1]
O=C(NCc1cccs1)c1ccccc1C(F)(F)F c1csc(c1)[*:1] O=C(NC[*:1])c1ccccc1C(F)(F)F
O=C(NCc1cccs1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCc1cccs1)c1ccccc1[*:1]
O=C(NCc1cccs1)c1ccccc1C(F)(F)F c1csc(c1)C[*:1] O=C(N[*:1])c1ccccc1C(F)(F)F
C[C@@](O)(CN1CCOCC1=O)C(=O)[O-] O=C([O-])[*:1] C[C@@](O)(CN1CCOCC1=O)[*:1]
Nc1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ccccc1Nc1ccc(cc1[*:1])[N+](=O)[O-]
Nc1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ccccc1Nc1ccc(cc1[N+](=O)[O-])[*:1]
CCCN(CC#N)Cc1noc(-c2ccoc2)n1 N#CC[*:1] CCCN(Cc1noc(n1)-c1ccoc1)[*:1]
CCCN(CC#N)Cc1noc(-c2ccoc2)n1 c1cc(co1)[*:1] CCCN(CC#N)Cc1noc(n1)[*:1]
CCCN(CC#N)Cc1noc(-c2ccoc2)n1 CCC[*:1] N#CCN(Cc1noc(n1)-c1ccoc1)[*:1]
CN(c1ccc(-c2csc(N)n2)cc1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] Nc1nc(cs1)-c1ccc(cc1)[*:1]
CN(c1ccc(-c2csc(N)n2)cc1)S(C)(=O)=O Nc1nc(cs1)[*:1] CN(c1ccc(cc1)[*:1])S(C)(=O)=O
Cc1ccccc1CSc1nc(-n2ccc3c(cnc4nc(C5CCCCC5)nn43)c2=O)n[nH]1 Cc1ccccc1C[*:1] O=c1c2cnc3nc(nn3c2ccn1-c1n[nH]c(n1)S[*:1])C1CCCCC1
Cc1ccccc1CSc1nc(-n2ccc3c(cnc4nc(C5CCCCC5)nn43)c2=O)n[nH]1 Cc1ccccc1CS[*:1] O=c1c2cnc3nc(nn3c2ccn1-c1n[nH]c(n1)[*:1])C1CCCCC1
Cc1ccccc1CSc1nc(-n2ccc3c(cnc4nc(C5CCCCC5)nn43)c2=O)n[nH]1 Cc1ccccc1[*:1] O=c1c2cnc3nc(nn3c2ccn1-c1n[nH]c(n1)SC[*:1])C1CCCCC1
Cc1ccccc1CSc1nc(-n2ccc3c(cnc4nc(C5CCCCC5)nn43)c2=O)n[nH]1 C1CCC(CC1)[*:1] Cc1ccccc1CSc1nc(n[nH]1)-n1ccc2c(cnc3nc(nn32)[*:1])c1=O
O=C(c1cccs1)N1CCC[NH+](Cc2ccc(Cl)o2)CC1 Clc1ccc(C[*:1])o1 O=C(c1cccs1)N1CCC[NH+](CC1)[*:1]
O=C(c1cccs1)N1CCC[NH+](Cc2ccc(Cl)o2)CC1 c1csc(c1)[*:1] O=C(N1CCC[NH+](CC1)Cc1ccc(Cl)o1)[*:1]
O=C(c1cccs1)N1CCC[NH+](Cc2ccc(Cl)o2)CC1 Clc1ccc(o1)[*:1] O=C(c1cccs1)N1CCC[NH+](CC1)C[*:1]
COc1ccc([C@@H](NC(=O)NC[C@]2(C)CCCS2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)NC[C@]1(C)CCCS1)[*:1]
COc1ccc([C@@H](NC(=O)NC[C@]2(C)CCCS2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@]1(CCCS1)CNC(=O)N[C@@H](C1CCOCC1)[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C)n(C)n1 CCNC(=O)[*:1] Cc1cc(nn1C)C(=O)Nc1cc(Cl)ccc1[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(C)n(C)n1 Cc1cc(nn1C)[*:1] CCNC(=O)c1ccc(Cl)cc1NC(=O)[*:1]
COc1ncccc1C(=O)N[C@H]1CN(S(C)(=O)=O)C[C@@H]1C1CC1 C1CC1[*:1] COc1ncccc1C(=O)N[C@H]1CN(C[C@H]1[*:1])S(C)(=O)=O
Cc1ccc(CCC(=O)NC[C@]2(C)CCCC[C@H]2O)cc1 Cc1ccc(cc1)[*:1] C[C@]1(CCCC[C@H]1O)CNC(=O)CC[*:1]
Cc1csc(S(=O)(=O)CC(=O)NCc2ccco2)n1 c1coc(c1)C[*:1] Cc1csc(n1)S(=O)(=O)CC(=O)N[*:1]
Cc1csc(S(=O)(=O)CC(=O)NCc2ccco2)n1 Cc1csc(n1)[*:1] O=C(CS(=O)(=O)[*:1])NCc1ccco1
Cc1csc(S(=O)(=O)CC(=O)NCc2ccco2)n1 c1coc(c1)[*:1] Cc1csc(n1)S(=O)(=O)CC(=O)NC[*:1]
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCCOc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCCO[*:1]
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCCOc1ccccc1 Cc1nn(C)c(C)c1[*:1] O=C(CCCOc1ccccc1)N1CCC[C@@H]1[*:1]
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCCOc1ccccc1 c1ccc(cc1)O[*:1] Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCC[*:1]
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCCOc1ccccc1 c1ccc(cc1)OC[*:1] Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CC[*:1]
Fc1cccc(Nc2nc([C@H]3CCC[NH2+]C3)c3ccccn23)c1 Fc1cccc(c1)[*:1] c1ccn2c(nc(c2c1)[C@H]1CCC[NH2+]C1)N[*:1]
C[C@H]1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)[C@H](C)C1 c1ccc(cc1)[*:1] C[C@H]1CCN(C(=O)c2nc(oc2C2CC2)[*:1])[C@H](C)C1
C[C@H]1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)[C@H](C)C1 C1CC1[*:1] C[C@H]1CCN(C(=O)c2nc(oc2[*:1])-c2ccccc2)[C@H](C)C1
CC[C@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)N[C@H]1CC(=O)N(C1)C1CC1)[*:1]
CC[C@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C)cc1 C1CC1[*:1] CC[C@H](NC(=O)N[C@H]1CC(=O)N(C1)[*:1])c1ccc(C)cc1
Cc1cccc(/C=c2\s/c(=C\C(=O)c3ccco3)n(C)c2=O)c1 O=C(c1ccco1)[*:1] Cc1cccc(/C=c2\sc(=C[*:1])n(C)c2=O)c1
Cc1cccc(/C=c2\s/c(=C\C(=O)c3ccco3)n(C)c2=O)c1 Cc1cccc(c1)[*:1] Cn1c(=O)c(=C[*:1])s/c1=C\C(=O)c1ccco1
Cc1cccc(/C=c2\s/c(=C\C(=O)c3ccco3)n(C)c2=O)c1 c1coc(c1)[*:1] Cc1cccc(/C=c2\s/c(=C\C(=O)[*:1])n(C)c2=O)c1
COc1c(C(=O)[O-])cccc1-c1cccc(C)c1 O=C([O-])[*:1] COc1c(cccc1[*:1])-c1cccc(C)c1
CCCCNC(=O)[C@H]1CCCN(C(=O)c2cnc([C@H]3CCCO3)s2)C1 CCCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cnc(s1)[C@H]1CCCO1
CCCCNC(=O)[C@H]1CCCN(C(=O)c2cnc([C@H]3CCCO3)s2)C1 C1CO[C@H](C1)[*:1] CCCCNC(=O)[C@H]1CCCN(C1)C(=O)c1cnc(s1)[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)c2cnc([C@H]3CCCO3)s2)C1 CCCCNC(=O)[*:1] O=C(c1cnc(s1)[C@H]1CCCO1)N1CCC[C@@H](C1)[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)c2cnc([C@H]3CCCO3)s2)C1 CCC[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1cnc(s1)[C@H]1CCCO1
CC1(C)CCC[C@@H]1NC(=O)NC[C@@H](O)C1CCCC1 C1CCC(C1)[*:1] CC1(C)CCC[C@@H]1NC(=O)NC[C@@H](O)[*:1]
c1ccc(-c2[nH+]cn(CCc3n[nH]c4c3CCCC4)c2[C@@H]2CCOC2)cc1 C1CCc2c(n[nH]c2C1)[*:1] c1ccc(cc1)-c1[nH+]cn(CC[*:1])c1[C@@H]1CCOC1
c1ccc(-c2[nH+]cn(CCc3n[nH]c4c3CCCC4)c2[C@@H]2CCOC2)cc1 c1ccc(cc1)[*:1] c1[nH+]c(c([C@@H]2CCOC2)n1CCc1n[nH]c2CCCCc12)[*:1]
Cc1c(C(N)=S)nnn1-c1ccc(F)cc1 NC(=S)[*:1] Cc1c(nnn1-c1ccc(F)cc1)[*:1]
CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C c1ccc(cc1)C[*:1] CN(C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)[*:1]
CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C c1ccc(cc1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C
O=C1Cc2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2N1 c1ccc(cc1)O[*:1] O=C1Cc2cc(ccc2N1)NC(=O)c1ccc(cc1)[*:1]
O=C1Cc2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2N1 c1ccc(cc1)[*:1] O=C1Cc2cc(ccc2N1)NC(=O)c1ccc(cc1)O[*:1]
COc1cc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccn1 O=[N+]([O-])[*:1] COc1cc(ccn1)CNC(=O)c1ccc(Cl)cc1[*:1]
CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 CNC(=O)[*:1] O=C([C@@H]1Cc2[nH+]c[nH]c2CN1)N1CCCC[C@H]1[*:1]
Fc1ccc2[nH]cc(CCNc3cc(-n4ccnc4)ncn3)c2c1 c1cn(cn1)[*:1] Fc1ccc2[nH]cc(CCNc3cc(ncn3)[*:1])c2c1
C[C@H](C(=O)NCc1cnn(-c2ccccc2)c1)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)NCc1cnn(c1)-c1ccccc1)[*:1]
C[C@H](C(=O)NCc1cnn(-c2ccccc2)c1)n1cncn1 c1ccc(cc1)[*:1] C[C@H](C(=O)NCc1cnn(c1)[*:1])n1cncn1
N#Cc1csc(C(=O)NCc2cnn(Cc3ccccc3)c2)c1 c1ccc(cc1)C[*:1] N#Cc1csc(c1)C(=O)NCc1cnn(c1)[*:1]
N#Cc1csc(C(=O)NCc2cnn(Cc3ccccc3)c2)c1 N#Cc1csc(c1)[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)[*:1]
N#Cc1csc(C(=O)NCc2cnn(Cc3ccccc3)c2)c1 c1ccc(cc1)[*:1] N#Cc1csc(c1)C(=O)NCc1cnn(c1)C[*:1]
CC(C)C(=O)N1CCS[C@@]12C(=O)N(Cc1cccc(F)c1)c1ccc(F)cc12 Fc1cccc(c1)C[*:1] CC(C)C(=O)N1CCS[C@@]12C(=O)N(c1ccc(F)cc12)[*:1]
CC(C)C(=O)N1CCS[C@@]12C(=O)N(Cc1cccc(F)c1)c1ccc(F)cc12 Fc1cccc(c1)[*:1] CC(C)C(=O)N1CCS[C@@]12C(=O)N(C[*:1])c1ccc(F)cc12
CC(C)C(=O)N1CCS[C@@]12C(=O)N(Cc1cccc(F)c1)c1ccc(F)cc12 CC(C)[*:1] O=C1N(Cc2cccc(F)c2)c2ccc(F)cc2[C@]12SCCN2C(=O)[*:1]
C[C@@H](OC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] C[C@@H](OC(=O)c1cc(n[nH]1)-c1ccc(Br)cc1)c1nnc(o1)-c1ccc(cc1)[*:1]
C[C@@H](OC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cc(n[nH]1)-c1ccc(Br)cc1)c1nnc(o1)[*:1]
C[C@@H](OC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 Brc1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cc(n[nH]1)[*:1])c1nnc(o1)-c1ccc(cc1)[N+](=O)[O-]
C=CCN(C(=O)[C@@H](C[NH3+])CC(C)C)C(C)C CC(C)C[*:1] C=CCN(C(=O)[C@@H](C[NH3+])[*:1])C(C)C
C=CCN(C(=O)[C@@H](C[NH3+])CC(C)C)C(C)C CC(C)[*:1] C=CCN(C(=O)[C@@H](C[NH3+])CC(C)C)[*:1]
C=CCN(C(=O)[C@@H](C[NH3+])CC(C)C)C(C)C CC(C)[*:1] C=CCN(C(=O)[C@@H](C[NH3+])C[*:1])C(C)C
C=CCN(C(=O)[C@@H](C[NH3+])CC(C)C)C(C)C C=CC[*:1] CC(C)C[C@H](C[NH3+])C(=O)N(C(C)C)[*:1]
CC(C)C[NH2+][C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 c1csc(c1)C[*:1] CC(C)C[NH2+][C@H]1CCc2c(C1)c(nn2C)C(=O)N[*:1]
CC(C)C[NH2+][C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 CC(C)C[*:1] Cn1nc(C(=O)NCc2cccs2)c2C[C@H](CCc21)[NH2+][*:1]
CC(C)C[NH2+][C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 c1csc(c1)[*:1] CC(C)C[NH2+][C@H]1CCc2c(C1)c(nn2C)C(=O)NC[*:1]
CC(C)C[NH2+][C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 CC(C)[*:1] Cn1nc(C(=O)NCc2cccs2)c2C[C@H](CCc21)[NH2+]C[*:1]
CC(C)OCCn1nc(C2CC2)cc(C(F)(F)F)c1=O FC(F)(F)[*:1] CC(C)OCCn1nc(cc(c1=O)[*:1])C1CC1
CC(C)OCCn1nc(C2CC2)cc(C(F)(F)F)c1=O CC(C)O[*:1] O=c1c(cc(nn1CC[*:1])C1CC1)C(F)(F)F
CC(C)OCCn1nc(C2CC2)cc(C(F)(F)F)c1=O CC(C)OCC[*:1] O=c1c(cc(nn1[*:1])C1CC1)C(F)(F)F
CC(C)OCCn1nc(C2CC2)cc(C(F)(F)F)c1=O C1CC1[*:1] CC(C)OCCn1nc(cc(c1=O)C(F)(F)F)[*:1]
CC(C)OCCn1nc(C2CC2)cc(C(F)(F)F)c1=O CC(C)OC[*:1] O=c1c(cc(nn1C[*:1])C1CC1)C(F)(F)F
CC(C)OCCn1nc(C2CC2)cc(C(F)(F)F)c1=O CC(C)[*:1] O=c1c(cc(nn1CCO[*:1])C1CC1)C(F)(F)F
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cc(F)ccc2O)CC1 Oc1ccc(F)cc1[*:1] C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)N3CCc4ccccc4C3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)[C@H]1CC(=O)N(C1)[*:1]
CCN(CC)c1ccc(C(=O)NCCc2ccc3c(c2)CCO3)cn1 CCN(CC)[*:1] O=C(NCCc1ccc2OCCc2c1)c1ccc(nc1)[*:1]
O=C(Nc1cccc(Cl)c1SCC(F)F)N[C@@H]1C=C[C@H](CO)C1 FC(F)CS[*:1] O=C(Nc1cccc(Cl)c1[*:1])N[C@@H]1C=C[C@H](CO)C1
O=C(Nc1cccc(Cl)c1SCC(F)F)N[C@@H]1C=C[C@H](CO)C1 FC(F)[*:1] O=C(Nc1cccc(Cl)c1SC[*:1])N[C@@H]1C=C[C@H](CO)C1
O=C(Nc1cccc(Cl)c1SCC(F)F)N[C@@H]1C=C[C@H](CO)C1 FC(F)C[*:1] O=C(Nc1cccc(Cl)c1S[*:1])N[C@@H]1C=C[C@H](CO)C1
CNC(=O)[C@@H](NC(=O)CSCC1CCCCC1)c1ccccc1 C1CCC(CC1)C[*:1] CNC(=O)[C@@H](NC(=O)CS[*:1])c1ccccc1
CNC(=O)[C@@H](NC(=O)CSCC1CCCCC1)c1ccccc1 C1CCC(CC1)[*:1] CNC(=O)[C@@H](NC(=O)CSC[*:1])c1ccccc1
CNC(=O)[C@@H](NC(=O)CSCC1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@@H](NC(=O)CSCC1CCCCC1)[*:1]
CNC(=O)[C@@H](NC(=O)CSCC1CCCCC1)c1ccccc1 CNC(=O)[*:1] O=C(CSCC1CCCCC1)N[C@@H](c1ccccc1)[*:1]
CC(C)Oc1cccc([C@@H](C)NC(=O)c2cc(Br)c[nH]2)c1 CC(C)O[*:1] C[C@@H](NC(=O)c1cc(Br)c[nH]1)c1cccc(c1)[*:1]
CC(C)Oc1cccc([C@@H](C)NC(=O)c2cc(Br)c[nH]2)c1 CC(C)[*:1] C[C@@H](NC(=O)c1cc(Br)c[nH]1)c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@@H](C)NC(=O)c2cc(Br)c[nH]2)c1 Brc1c[nH]c(c1)[*:1] CC(C)Oc1cccc(c1)[C@@H](C)NC(=O)[*:1]
Cc1cc([C@H]2CCCN2C(=O)c2ccc(C#N)cc2)on1 Cc1cc(on1)[*:1] N#Cc1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
CCC(=O)Nc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(C)=O)c1 O=[N+]([O-])[*:1] CCC(=O)Nc1cccc(c1)NC(=O)/C(=C/c1cccc(c1)[*:1])NC(C)=O
CCC(=O)Nc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(C)=O)c1 CCC(=O)N[*:1] CC(=O)N/C(=C\c1cccc(c1)[N+](=O)[O-])C(=O)Nc1cccc(c1)[*:1]
CCC(=O)Nc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(C)=O)c1 O=[N+]([O-])c1cccc(c1)[*:1] CCC(=O)Nc1cccc(c1)NC(=O)C(=C[*:1])NC(C)=O
CCC(=O)Nc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(C)=O)c1 CC(=O)N[*:1] CCC(=O)Nc1cccc(c1)NC(=O)C(=Cc1cccc(c1)[N+](=O)[O-])[*:1]
COc1cc(/C=C/C(=O)NC2CC[NH+](C)CC2)ccc1OC(F)F FC(F)[*:1] COc1cc(/C=C/C(=O)NC2CC[NH+](C)CC2)ccc1O[*:1]
COc1cc(/C=C/C(=O)NC2CC[NH+](C)CC2)ccc1OC(F)F FC(F)O[*:1] COc1cc(/C=C/C(=O)NC2CC[NH+](C)CC2)ccc1[*:1]
Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 c1ccc(cc1)[*:1] Cc1cc(nc(n1)SCC(=O)Nc1sc2CCCc2c1C(N)=O)[*:1]
Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 NC(=O)[*:1] Cc1cc(nc(n1)SCC(=O)Nc1sc2CCCc2c1[*:1])-c1ccccc1
CC(C)CS(=O)(=O)[N-]c1c(C[NH3+])cnn1C CC(C)[*:1] Cn1ncc(C[NH3+])c1[N-]S(=O)(=O)C[*:1]
CC(C)CS(=O)(=O)[N-]c1c(C[NH3+])cnn1C CC(C)C[*:1] Cn1ncc(C[NH3+])c1[N-]S(=O)(=O)[*:1]
COc1c(C(=O)[O-])ccc(F)c1F O=C([O-])[*:1] COc1c(ccc(F)c1F)[*:1]
C[S@@](=O)c1ccc(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)cc1 C[S@@](=O)[*:1] N#C[C@@H](COC(=O)c1ccc(cc1)[*:1])Cc1ccc(F)cc1
C[S@@](=O)c1ccc(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[S@@](=O)c1ccc(cc1)C(=O)OC[C@H](C#N)C[*:1]
C[S@@](=O)c1ccc(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] C[S@@](=O)c1ccc(cc1)C(=O)OC[C@H](C#N)[*:1]
Cc1ccccc1Cc1nc(C[NH+]2CCN(Cc3ccccn3)CC2)no1 c1ccc(nc1)[*:1] Cc1ccccc1Cc1nc(C[NH+]2CCN(CC2)C[*:1])no1
Cc1ccccc1Cc1nc(C[NH+]2CCN(Cc3ccccn3)CC2)no1 c1ccc(C[*:1])nc1 Cc1ccccc1Cc1nc(C[NH+]2CCN(CC2)[*:1])no1
Cc1ccccc1Cc1nc(C[NH+]2CCN(Cc3ccccn3)CC2)no1 Cc1ccccc1C[*:1] c1ccc(CN2CC[NH+](CC2)Cc2noc(n2)[*:1])nc1
Cc1ccccc1Cc1nc(C[NH+]2CCN(Cc3ccccn3)CC2)no1 Cc1ccccc1[*:1] c1ccc(CN2CC[NH+](CC2)Cc2noc(C[*:1])n2)nc1
COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CC#N)ccc1O O=C(c1ccccc1)[*:1] COc1cc(ccc1O)[C@H]1C(=C([O-])C(=O)N1CC#N)[*:1]
COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CC#N)ccc1O N#CC[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CC#N)ccc1O COc1cc(ccc1O)[*:1] N#CCN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1[*:1]
COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CC#N)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CC#N
Cc1ccc(CC(=O)N2CCC3(CC2)NC(=O)c2cc(Br)ccc2N3)cc1 Cc1ccc(cc1)[*:1] O=C1NC2(CCN(CC2)C(=O)C[*:1])Nc2ccc(Br)cc21
Cc1ccc(CC(=O)N2CCC3(CC2)NC(=O)c2cc(Br)ccc2N3)cc1 Cc1ccc(cc1)C[*:1] O=C1NC2(CCN(CC2)C(=O)[*:1])Nc2ccc(Br)cc21
Cc1ccc(F)c(NC(=O)/C=C/c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(F)c(c1)NC(=O)C=C[*:1]
CCC[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1[NH+](C)C CCC[*:1] C[NH+](C)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccc(=O)[nH]c1
C#CCN1C(=O)c2ccccc2N[C@H]1c1c(C)nn(CCC(=O)OC)c1C COC(=O)[*:1] C#CCN1C(=O)c2ccccc2N[C@H]1c1c(C)nn(CC[*:1])c1C
C#CCN1C(=O)c2ccccc2N[C@H]1c1c(C)nn(CCC(=O)OC)c1C COC(=O)CC[*:1] C#CCN1C(=O)c2ccccc2N[C@H]1c1c(C)nn(c1C)[*:1]
C#CCN1C(=O)c2ccccc2N[C@H]1c1c(C)nn(CCC(=O)OC)c1C COC(=O)C[*:1] C#CCN1C(=O)c2ccccc2N[C@H]1c1c(C)nn(C[*:1])c1C
C#CCN1C(=O)c2ccccc2N[C@H]1c1c(C)nn(CCC(=O)OC)c1C C#CC[*:1] COC(=O)CCn1nc(C)c(c1C)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cnn(-c4ccccc4)c3C)sc2c1 COc1ccc2nc(sc2c1)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N(CCN1CCOCC1)[*:1]
COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cnn(-c4ccccc4)c3C)sc2c1 C1CN(CCO1)CC[*:1] COc1ccc2nc(sc2c1)N(C(=O)c1cnn(-c2ccccc2)c1C)[*:1]
COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cnn(-c4ccccc4)c3C)sc2c1 C1CN(CCO1)C[*:1] COc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1cnn(-c2ccccc2)c1C
COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cnn(-c4ccccc4)c3C)sc2c1 c1ccc(cc1)[*:1] COc1ccc2nc(sc2c1)N(CCN1CCOCC1)C(=O)c1cnn(c1C)[*:1]
COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cnn(-c4ccccc4)c3C)sc2c1 C1CN(CCO1)[*:1] COc1ccc2nc(sc2c1)N(CC[*:1])C(=O)c1cnn(-c2ccccc2)c1C
COc1cc(C(C)=O)ccc1SC(F)F FC(F)S[*:1] COc1cc(ccc1[*:1])C(C)=O
COc1cc(C(C)=O)ccc1SC(F)F FC(F)[*:1] COc1cc(ccc1S[*:1])C(C)=O
COc1cc(C(C)=O)ccc1SC(F)F CC(=O)[*:1] COc1cc(ccc1SC(F)F)[*:1]
CC1(C)CC[C@@H](N2CC[NH+](C(C)(C)C)CC2)[C@H]1[NH3+] CC(C)(C)[*:1] CC1(C)CC[C@H]([C@H]1[NH3+])N1CC[NH+](CC1)[*:1]
Cc1nn(C)c2nc(N3CCC[C@@H](OCc4cccnc4)C3)sc12 c1cncc(c1)C[*:1] Cc1nn(C)c2nc(sc12)N1CCC[C@H](C1)O[*:1]
Cc1nn(C)c2nc(N3CCC[C@@H](OCc4cccnc4)C3)sc12 c1cncc(c1)[*:1] Cc1nn(C)c2nc(sc12)N1CCC[C@H](C1)OC[*:1]
Cc1nn(C)c2nc(N3CCC[C@@H](OCc4cccnc4)C3)sc12 c1cncc(c1)CO[*:1] Cc1nn(C)c2nc(sc12)N1CCC[C@@H](C1)[*:1]
CC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@@H]1C c1ccc(cc1)C[*:1] CC(=O)N1c2ccccc2N(C(=O)C[C@@H]1C)[*:1]
CC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@@H]1C c1ccc(cc1)[*:1] CC(=O)N1c2ccccc2N(C[*:1])C(=O)C[C@@H]1C
CCOc1cc2c(cc1[C@H]1OCC[C@@H]1C[NH2+]C)O[C@H](C)C2 CCO[*:1] C[NH2+]C[C@H]1CCO[C@@H]1c1cc2O[C@H](C)Cc2cc1[*:1]
Cc1ccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N[*:1])c1ccn(c1)S(=O)(=O)c1ccccc1
Cc1ccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccn(c1)S(=O)(=O)[*:1]
COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccnc1 c1cncc(c1)[*:1] COc1ccccc1[C@@H]1C[C@H]1C(=O)N[*:1]
CC(=O)N[C@H](C(=O)N(C)CCCS(C)(=O)=O)C1CCCC1 CC(=O)N[*:1] CN(CCCS(C)(=O)=O)C(=O)[C@H](C1CCCC1)[*:1]
CC(=O)N[C@H](C(=O)N(C)CCCS(C)(=O)=O)C1CCCC1 CS(=O)(=O)C[*:1] CC(=O)N[C@H](C(=O)N(C)CC[*:1])C1CCCC1
CC(=O)N[C@H](C(=O)N(C)CCCS(C)(=O)=O)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@H](C(=O)N(C)CCCS(C)(=O)=O)[*:1]
CC(=O)N[C@H](C(=O)N(C)CCCS(C)(=O)=O)C1CCCC1 CS(=O)(=O)CCC[*:1] CC(=O)N[C@H](C(=O)N(C)[*:1])C1CCCC1
CC(=O)N[C@H](C(=O)N(C)CCCS(C)(=O)=O)C1CCCC1 CS(=O)(=O)CC[*:1] CC(=O)N[C@H](C(=O)N(C)C[*:1])C1CCCC1
CC(=O)N[C@H](C(=O)N(C)CCCS(C)(=O)=O)C1CCCC1 CS(=O)(=O)[*:1] CC(=O)N[C@H](C(=O)N(C)CCC[*:1])C1CCCC1
CCNC(=O)c1ccc(NC(=O)CNc2cc(C)ccc2C)cc1 CCNC(=O)[*:1] Cc1ccc(C)c(c1)NCC(=O)Nc1ccc(cc1)[*:1]
CCNC(=O)c1ccc(NC(=O)CNc2cc(C)ccc2C)cc1 Cc1ccc(C)c(c1)[*:1] CCNC(=O)c1ccc(cc1)NC(=O)CN[*:1]
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccnc1)C1=C(N2)c2ccccc2C1=O c1cncc(c1)[*:1] Cn1c2NC3=C(C(=O)c4ccccc43)[C@H](c2c(=O)n(C)c1=O)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccccc2-n2cnnn2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](CNC(=O)c1ccccc1-n1cnnn1)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccccc2-n2cnnn2)n1 c1nnnn1[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccccc2[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccccc2-n2cnnn2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNC(=O)c1ccccc1-n1cnnn1)C[*:1]
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 NC(=O)[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(cc1)-n1nnc(n1)[*:1]
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 NC(=O)c1nnn(n1)[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
CN(CCCS(C)(=O)=O)C(=O)CCC1CCCC1 CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)CCC1CCCC1
CN(CCCS(C)(=O)=O)C(=O)CCC1CCCC1 C1CCC(C1)C[*:1] CN(CCCS(C)(=O)=O)C(=O)C[*:1]
CN(CCCS(C)(=O)=O)C(=O)CCC1CCCC1 C1CCC(C1)[*:1] CN(CCCS(C)(=O)=O)C(=O)CC[*:1]
CN(CCCS(C)(=O)=O)C(=O)CCC1CCCC1 CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)CCC1CCCC1
CN(CCCS(C)(=O)=O)C(=O)CCC1CCCC1 CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)CCC1CCCC1
CN(C(=O)c1ccn(-c2ccccc2Cl)n1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CN(C(=O)c1ccn(n1)-c1ccccc1Cl)c1ccc(cc1)[*:1]
CN(C(=O)c1ccn(-c2ccccc2Cl)n1)c1ccc(S(C)(=O)=O)cc1 Clc1ccccc1[*:1] CN(C(=O)c1ccn(n1)[*:1])c1ccc(cc1)S(C)(=O)=O
COc1ccccc1C[C@H](C)N(C)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 COc1ccccc1[*:1] C[C@@H](C[*:1])N(C)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1
COc1ccccc1C[C@H](C)N(C)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 COc1ccccc1C[*:1] C[C@H](N(C)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
CCC[NH2+][C@H]1CC[C@H](Cc2nc(C)cs2)[C@@H]1C CCC[*:1] Cc1csc(C[C@H]2CC[C@H]([NH2+][*:1])[C@H]2C)n1
Cn1ccnc1SCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 Cn1ccnc1SC[*:1] O=C(NC[*:1])C1CCN(CC1)c1ccc(cn1)C(F)(F)F
Cn1ccnc1SCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 Cn1ccnc1[*:1] O=C(NCCS[*:1])C1CCN(CC1)c1ccc(cn1)C(F)(F)F
Cn1ccnc1SCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 Cn1ccnc1SCC[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(cn1)C(F)(F)F
Cn1ccnc1SCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] Cn1ccnc1SCCNC(=O)C1CCN(CC1)c1ccc(cn1)[*:1]
Cn1ccnc1SCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 Cn1ccnc1S[*:1] O=C(NCC[*:1])C1CCN(CC1)c1ccc(cn1)C(F)(F)F
CC[C@@H](C)CC(=O)N1CCC2(CC[C@@H](CNC(=O)C3CCCCC3)O2)CC1 CC[C@@H](C)C[*:1] O=C(NC[C@@H]1CCC2(CCN(CC2)C(=O)[*:1])O1)C1CCCCC1
CC[C@@H](C)CC(=O)N1CCC2(CC[C@@H](CNC(=O)C3CCCCC3)O2)CC1 C1CCC(CC1)[*:1] CC[C@@H](C)CC(=O)N1CCC2(CC[C@@H](CNC(=O)[*:1])O2)CC1
CC[C@@H](C)CC(=O)N1CCC2(CC[C@@H](CNC(=O)C3CCCCC3)O2)CC1 O=C(N[*:1])C1CCCCC1 CC[C@@H](C)CC(=O)N1CCC2(CC[C@@H](C[*:1])O2)CC1
CC[C@@H](C)CC(=O)N1CCC2(CC[C@@H](CNC(=O)C3CCCCC3)O2)CC1 CC[C@@H](C)[*:1] O=C(NC[C@@H]1CCC2(CCN(CC2)C(=O)C[*:1])O1)C1CCCCC1
C[C@@H](CCO)C[NH2+][C@H]1CCOC2(CCC2)C1 OCC[*:1] C[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)[*:1]
C[C@@H](CCO)C[NH2+][C@H]1CCOC2(CCC2)C1 C[C@@H](CCO)[*:1] C1CC2(C1)C[C@H](CCO2)[NH2+]C[*:1]
CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H](C)c1cccc(c1)[*:1]
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 Clc1cccc(c1)O[*:1] CC(C)[C@H](C(=O)N[C@@H](C)c1ccc2NC(=O)Cc2c1)[*:1]
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 Clc1cccc(c1)[*:1] CC(C)[C@H](O[*:1])C(=O)N[C@@H](C)c1ccc2NC(=O)Cc2c1
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 CC(C)[*:1] C[C@H](NC(=O)[C@@H](Oc1cccc(Cl)c1)[*:1])c1ccc2NC(=O)Cc2c1
COc1ccc(Cl)cc1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F FC(F)(F)[*:1] COc1ccc(Cl)cc1C(=O)NC[C@@](O)(c1ccccc1)[*:1]
COc1ccc(Cl)cc1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] COc1ccc(Cl)cc1C(=O)NC[C@@](O)(C(F)(F)F)[*:1]
Cn1nc2n(c1=O)CCN(S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 O=[N+]([O-])[*:1] Cn1nc2CN(CCn2c1=O)S(=O)(=O)c1cc(F)cc(c1)[*:1]
COc1ccnc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C)c1 Cc1ccccc1[*:1] COc1ccnc(c1)NC(=O)[C@H]1C[C@H]1[*:1]
C/C(=C\CC[NH2+]C1CC1)Cc1ccc(Br)s1 C1CC1[*:1] C/C(=C\CC[NH2+][*:1])Cc1ccc(Br)s1
CCN(C[C@H](C)C#N)C(=O)Cc1c(F)cccc1Cl C[C@H](C#N)[*:1] CCN(C[*:1])C(=O)Cc1c(F)cccc1Cl
CCN(C[C@H](C)C#N)C(=O)Cc1c(F)cccc1Cl C[C@H](C#N)C[*:1] CCN(C(=O)Cc1c(F)cccc1Cl)[*:1]
CCOc1cccc([C@@H](Cc2cc(F)cc(Br)c2)[NH2+]C)c1 CCO[*:1] C[NH2+][C@H](Cc1cc(F)cc(Br)c1)c1cccc(c1)[*:1]
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C COC(=O)CC[C@H](C)[*:1] C[C@]12CC[C@@H]3C[C@H]1CC[C@H]1[C@H]4CC[C@@H]([C@@]4(C)[C@@H](Br)C(=O)[C@@]12O3)[*:1]
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C COC(=O)[*:1] C[C@@H](CC[*:1])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C COC(=O)C[*:1] C[C@@H](C[*:1])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C COC(=O)CC[*:1] C[C@H]([C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@@]21C)[*:1]
CCCCNC(=O)c1sc(Nc2cccc(C)n2)nc1C CCCCNC(=O)[*:1] Cc1cccc(n1)Nc1nc(C)c(s1)[*:1]
CCCCNC(=O)c1sc(Nc2cccc(C)n2)nc1C CCC[*:1] Cc1cccc(n1)Nc1nc(C)c(s1)C(=O)NC[*:1]
CCCCNC(=O)c1sc(Nc2cccc(C)n2)nc1C CCCC[*:1] Cc1cccc(n1)Nc1nc(C)c(s1)C(=O)N[*:1]
CCCCNC(=O)c1sc(Nc2cccc(C)n2)nc1C Cc1cccc(n1)[*:1] CCCCNC(=O)c1sc(nc1C)N[*:1]
Cc1nnc(NC(=O)CSc2ncn[nH]2)s1 c1n[nH]c(n1)[*:1] Cc1nnc(NC(=O)CS[*:1])s1
O=S(=O)(c1ccc(NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)nc1)N1CCOCC1 c1ccc2c(c[nH]c2c1)[*:1] O=S(=O)(c1ccc(nc1)NC[C@H](c1ccccc1)[*:1])N1CCOCC1
O=S(=O)(c1ccc(NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)nc1)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] c1ccc(cc1)[C@@H](CNc1ccc(cn1)[*:1])c1c[nH]c2ccccc12
O=S(=O)(c1ccc(NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)nc1)N1CCOCC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(nc1)NC[C@H](c1c[nH]c2ccccc12)[*:1])N1CCOCC1
Cc1ccnc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccn3)C2)n1 Cc1ccnc(n1)[*:1] O=C1CC[C@H]2CN(CC[C@H]2N1CCc1ccccn1)[*:1]
Cc1ccnc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccn3)C2)n1 c1ccc(nc1)[*:1] Cc1ccnc(n1)N1CC[C@@H]2[C@@H](CCC(=O)N2CC[*:1])C1
Cc1ccnc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccn3)C2)n1 c1ccc(C[*:1])nc1 Cc1ccnc(n1)N1CC[C@@H]2[C@@H](CCC(=O)N2C[*:1])C1
Cc1ccnc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccn3)C2)n1 c1ccc(CC[*:1])nc1 Cc1ccnc(n1)N1CC[C@@H]2[C@@H](CCC(=O)N2[*:1])C1
CN(CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCNC(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
CN(CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 CN(c1ccccc1)[*:1] O=C(NCCC[*:1])N1CCN(CC1)c1cccc[nH+]1
CC1(C)CC[C@](C#N)(Cc2cc(F)ccc2[N+](=O)[O-])C1=O O=[N+]([O-])[*:1] CC1(C)CC[C@](C#N)(Cc2cc(F)ccc2[*:1])C1=O
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(/C=N/NC(=O)c2cc(n[nH]2)[*:1])cc1OC
CCN(Cc1ccccc1)C(=O)CN1C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]21 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CN1C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]21
CCN(Cc1ccccc1)C(=O)CN1C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]21 c1ccc(cc1)C[*:1] CCN(C(=O)CN1C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
CCN(Cc1ccccc1)C(=O)CN1C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]21 Cc1ccc(cc1Cl)[*:1] CCN(Cc1ccccc1)C(=O)CN1C(=O)N([C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
Cc1ccc(C(=O)NCc2nc(-c3ccco3)n[nH]2)s1 Cc1ccc(s1)[*:1] O=C(NCc1nc(n[nH]1)-c1ccco1)[*:1]
Cc1ccc(C(=O)NCc2nc(-c3ccco3)n[nH]2)s1 c1coc(c1)[*:1] Cc1ccc(s1)C(=O)NCc1nc(n[nH]1)[*:1]
CC[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 Cc1ccc(cc1C)[*:1] CC[NH+]1CCC(CC1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2cc(C)on2)n1 Cc1cc(C[*:1])no1 Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2cc(C)on2)n1 Cc1cc(no1)[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)C[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2cc(C)on2)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(CN(C)C(=O)NC[C@@H](C)C[*:1])no1
Cc1cc(OCC(=O)N(C)Cc2c(F)cccc2Cl)ccc1[N+](=O)[O-] Fc1cccc(Cl)c1[*:1] Cc1cc(ccc1[N+](=O)[O-])OCC(=O)N(C)C[*:1]
Cc1cc(OCC(=O)N(C)Cc2c(F)cccc2Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])OCC(=O)N(C)Cc1c(F)cccc1Cl
Cc1oc(C(=O)[O-])cc1CSCc1ccoc1C(=O)[O-] O=C([O-])[*:1] Cc1oc(cc1CSCc1ccoc1[*:1])C(=O)[O-]
Cc1oc(C(=O)[O-])cc1CSCc1ccoc1C(=O)[O-] O=C([O-])[*:1] Cc1oc(cc1CSCc1ccoc1C(=O)[O-])[*:1]
O=C(/C=C/c1cc2ccccc2o1)OCCN1CCOC1=O O=C1OCCN1C[*:1] O=C(/C=C/c1cc2ccccc2o1)OC[*:1]
O=C(/C=C/c1cc2ccccc2o1)OCCN1CCOC1=O O=C1OCCN1[*:1] O=C(/C=C/c1cc2ccccc2o1)OCC[*:1]
COc1c(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)c(C)nn1C O=C1CCCN1[*:1] COc1c(NC(=O)c2cc(ccc2Cl)[*:1])c(C)nn1C
O=C(N/C=C(\[O-])N1CCc2ccccc21)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(N/C=C(\[O-])N1CCc2ccccc21)Nc1cccc(c1)[*:1]
CCOC(=O)C=C1CCC(C(=O)OCC)CC1 CCOC(=O)[*:1] CCOC(=O)C=C1CCC(CC1)[*:1]
CCOC(=O)C=C1CCC(C(=O)OCC)CC1 CCOC(=O)[*:1] CCOC(=O)C1CCC(=C[*:1])CC1
CCOCc1nc(N2CCOCC2)sc1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CCOCc1nc(sc1C(=O)N[*:1])N1CCOCC1
CCOCc1nc(N2CCOCC2)sc1C(=O)NCc1ccccc1 C1CN(CCO1)[*:1] CCOCc1nc(sc1C(=O)NCc1ccccc1)[*:1]
CCOCc1nc(N2CCOCC2)sc1C(=O)NCc1ccccc1 CCO[*:1] O=C(NCc1ccccc1)c1sc(nc1C[*:1])N1CCOCC1
CCOCc1nc(N2CCOCC2)sc1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CCOCc1nc(sc1C(=O)NC[*:1])N1CCOCC1
CCOCc1nc(N2CCOCC2)sc1C(=O)NCc1ccccc1 CCOC[*:1] O=C(NCc1ccccc1)c1sc(nc1[*:1])N1CCOCC1
Cc1cc(C)n2ncc(C(=O)N[C@@H](C)[C@H]3CCCO3)c2n1 C1CO[C@H](C1)[*:1] Cc1cc(C)n2ncc(C(=O)N[C@@H](C)[*:1])c2n1
Oc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] Oc1ccc(cc1)C(=S)N1CC[NH+](CC1)[*:1]
Oc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Oc1ccc(cc1)C(=S)N1CC[NH+](CC1)C[*:1]
Oc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 Oc1ccc(cc1)[*:1] S=C(N1CC[NH+](CC1)Cc1ccccc1)[*:1]
CCCC[C@@H](O)Cc1nc2ccccc2n1C CCC[*:1] Cn1c(C[C@H](O)C[*:1])nc2ccccc21
CCCC[C@@H](O)Cc1nc2ccccc2n1C CCCC[*:1] Cn1c(C[C@H](O)[*:1])nc2ccccc21
C[C@H](OC(=O)c1cc[n+]([O-])cc1)C(=O)Nc1cccc2ccccc12 [O-][n+]1ccc(cc1)[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1cccc2ccccc12
Cc1cc2c(=O)n(Cc3nn(-c4ccccc4)c4c3CCC4)cnc2s1 c1ccc(cc1)[*:1] Cc1cc2c(=O)n(cnc2s1)Cc1nn(c2CCCc12)[*:1]
CC(C)NC(=O)c1cccc(-c2noc(Cc3ccccc3Br)n2)c1 Brc1ccccc1C[*:1] CC(C)NC(=O)c1cccc(c1)-c1noc(n1)[*:1]
CC(C)NC(=O)c1cccc(-c2noc(Cc3ccccc3Br)n2)c1 CC(C)NC(=O)[*:1] Brc1ccccc1Cc1nc(no1)-c1cccc(c1)[*:1]
CC(C)NC(=O)c1cccc(-c2noc(Cc3ccccc3Br)n2)c1 CC(C)[*:1] O=C(N[*:1])c1cccc(c1)-c1noc(Cc2ccccc2Br)n1
CC(C)NC(=O)c1cccc(-c2noc(Cc3ccccc3Br)n2)c1 Brc1ccccc1[*:1] CC(C)NC(=O)c1cccc(c1)-c1noc(C[*:1])n1
N#CC1(NC(=O)c2ccsc2)CCCCC1 c1cc(cs1)[*:1] N#CC1(CCCCC1)NC(=O)[*:1]
COc1ccccc1Cn1c(C(=O)N2CCN(C(=O)N(C)C)[C@H](C)C2)cc2ccsc21 COc1ccccc1C[*:1] C[C@@H]1CN(CCN1C(=O)N(C)C)C(=O)c1cc2ccsc2n1[*:1]
COc1ccccc1Cn1c(C(=O)N2CCN(C(=O)N(C)C)[C@H](C)C2)cc2ccsc21 COc1ccccc1[*:1] C[C@@H]1CN(CCN1C(=O)N(C)C)C(=O)c1cc2ccsc2n1C[*:1]
CCC[C@@H](C)c1nnc(NC(=O)N2CCC[C@H]2Cc2cccnc2)s1 CCC[C@@H](C)[*:1] O=C(Nc1nnc(s1)[*:1])N1CCC[C@H]1Cc1cccnc1
CCC[C@@H](C)c1nnc(NC(=O)N2CCC[C@H]2Cc2cccnc2)s1 CCC[*:1] C[C@@H](c1nnc(NC(=O)N2CCC[C@H]2Cc2cccnc2)s1)[*:1]
CCC[C@@H](C)c1nnc(NC(=O)N2CCC[C@H]2Cc2cccnc2)s1 c1cncc(c1)C[*:1] CCC[C@@H](C)c1nnc(NC(=O)N2CCC[C@@H]2[*:1])s1
CCC[C@@H](C)c1nnc(NC(=O)N2CCC[C@H]2Cc2cccnc2)s1 c1cncc(c1)[*:1] CCC[C@@H](C)c1nnc(NC(=O)N2CCC[C@H]2C[*:1])s1
CC(C)[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccn1 CC(C)[*:1] CS(=O)(=O)[N-]c1cc(ccc1F)C(=O)N[C@@H](c1ccccn1)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(F)c(c1)[N-]S(C)(=O)=O)[*:1]
CCOCCCNC(=O)c1cn(C)nc1CC CCOCC[*:1] CCc1nn(C)cc1C(=O)NC[*:1]
CCOCCCNC(=O)c1cn(C)nc1CC CCO[*:1] CCc1nn(C)cc1C(=O)NCCC[*:1]
CCOCCCNC(=O)c1cn(C)nc1CC CCOC[*:1] CCc1nn(C)cc1C(=O)NCC[*:1]
CCc1cc(C(=O)N[C@H](C)CC)nc2cc(-c3ccco3)nn12 c1coc(c1)[*:1] CCc1cc(nc2cc(nn12)[*:1])C(=O)N[C@H](C)CC
CCc1cc(C(=O)N[C@H](C)CC)nc2cc(-c3ccco3)nn12 CC[C@@H](C)[*:1] CCc1cc(nc2cc(nn12)-c1ccco1)C(=O)N[*:1]
CCc1cc(C(=O)N[C@H](C)CC)nc2cc(-c3ccco3)nn12 CC[C@@H](C)NC(=O)[*:1] CCc1cc(nc2cc(nn12)-c1ccco1)[*:1]
CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 Cn1cnc(c1)[*:1] CN(C)c1ncc(-c2ccccc2)c(n1)[C@H]1CCCN1S(=O)(=O)[*:1]
CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 CN(C)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@@H]1c1nc(ncc1-c1ccccc1)[*:1]
CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 c1ccc(cc1)[*:1] CN(C)c1ncc(c(n1)[C@H]1CCCN1S(=O)(=O)c1cn(C)cn1)[*:1]
Cc1ccc(N/C=C(\C#N)c2ccc(OCCCF)cc2)cc1 FCC[*:1] Cc1ccc(cc1)N/C=C(\C#N)c1ccc(cc1)OC[*:1]
Cc1ccc(N/C=C(\C#N)c2ccc(OCCCF)cc2)cc1 FCCC[*:1] Cc1ccc(cc1)N/C=C(\C#N)c1ccc(cc1)O[*:1]
Cc1ccc(N/C=C(\C#N)c2ccc(OCCCF)cc2)cc1 Cc1ccc(cc1)[*:1] N#C/C(=C\N[*:1])c1ccc(cc1)OCCCF
Cc1ccc(N/C=C(\C#N)c2ccc(OCCCF)cc2)cc1 FCCCO[*:1] Cc1ccc(cc1)N/C=C(\C#N)c1ccc(cc1)[*:1]
Cc1ccc([C@H]2CCCCN2C(=O)NCc2cnc(C)s2)cc1 Cc1ccc(cc1)[*:1] Cc1ncc(CNC(=O)N2CCCC[C@@H]2[*:1])s1
Cc1ccc([C@H]2CCCCN2C(=O)NCc2cnc(C)s2)cc1 Cc1ncc(s1)[*:1] Cc1ccc(cc1)[C@H]1CCCCN1C(=O)NC[*:1]
Cc1ccc([C@H]2CCCCN2C(=O)NCc2cnc(C)s2)cc1 Cc1ncc(C[*:1])s1 Cc1ccc(cc1)[C@H]1CCCCN1C(=O)N[*:1]
COc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(OC)cc1Cl O=C([O-])[*:1] COc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2[*:1])c(cc1Cl)OC
CCCn1cncc1[C@H](C[NH3+])N1CCC(C)(C)C1 CCC[*:1] CC1(C)CCN(C1)[C@@H](C[NH3+])c1cncn1[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2cccc(Cl)c2C(N)=O)ccn1 CC(C)(C)[*:1] NC(=O)c1c(Cl)cccc1NC(=O)c1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2cccc(Cl)c2C(N)=O)ccn1 CC(C)(C)O[*:1] NC(=O)c1c(Cl)cccc1NC(=O)c1ccnc(c1)[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2cccc(Cl)c2C(N)=O)ccn1 NC(=O)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)Nc1cccc(Cl)c1[*:1]
O=C(Cc1ccncc1)NNC(=O)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(Cc1ccncc1)NNC(=O)C[*:1]
O=C(Cc1ccncc1)NNC(=O)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(Cc1ccncc1)NNC(=O)[*:1]
O=C(Cc1ccncc1)NNC(=O)C[C@H]1CCCO1 c1cc(ccn1)[*:1] O=C(C[C@H]1CCCO1)NNC(=O)C[*:1]
CC[C@H](C(=O)NCC(=O)OC)c1ccccc1 COC(=O)C[*:1] CC[C@H](C(=O)N[*:1])c1ccccc1
CC[C@H](C(=O)NCC(=O)OC)c1ccccc1 COC(=O)[*:1] CC[C@H](C(=O)NC[*:1])c1ccccc1
CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cnn(C(C)(C)C)c2)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)[C@@H]1CCCN1C(=O)Nc1cnn(c1)[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cnn(C(C)(C)C)c2)cc1 CCO[*:1] CC(C)(C)n1cc(cn1)NC(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
CCc1onc(C)c1NC(=O)c1ccc(-c2n[nH]c(C)n2)cc1 Cc1nc(n[nH]1)[*:1] CCc1onc(C)c1NC(=O)c1ccc(cc1)[*:1]
O=C(CCc1ccsc1)N1CCc2ccc(Cl)cc2C1 c1cc(cs1)[*:1] O=C(CC[*:1])N1CCc2ccc(Cl)cc2C1
O=C(CCc1ccsc1)N1CCc2ccc(Cl)cc2C1 c1cc(cs1)C[*:1] O=C(C[*:1])N1CCc2ccc(Cl)cc2C1
Clc1ccc2nc(N(CC3CC[NH2+]CC3)C3CC3)nn2c1 C1CC1[*:1] Clc1ccc2nc(nn2c1)N(CC1CC[NH2+]CC1)[*:1]
CC(C)[C@H](Sc1nc2ncccn2n1)C(=O)N1CCc2ccccc2C1 CC(C)[*:1] O=C([C@@H](Sc1nc2ncccn2n1)[*:1])N1CCc2ccccc2C1
CCOc1ccc(F)c(C(=O)NCCc2cccc(Cl)c2)c1F CCO[*:1] O=C(NCCc1cccc(Cl)c1)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)NCCc2cccc(Cl)c2)c1F Clc1cccc(c1)[*:1] CCOc1ccc(F)c(C(=O)NCC[*:1])c1F
N#Cc1ccc(/C(N)=N\OCc2noc(-c3ccc(Cl)cc3)n2)nc1 N#Cc1ccc(nc1)[*:1] N/C(=N/OCc1noc(n1)-c1ccc(Cl)cc1)[*:1]
N#Cc1ccc(/C(N)=N\OCc2noc(-c3ccc(Cl)cc3)n2)nc1 Clc1ccc(cc1)[*:1] N#Cc1ccc(nc1)/C(N)=N\OCc1noc(n1)[*:1]
COCCn1cc(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 COCC[*:1] O=C(NCC#Cc1cccc(c1)C(F)(F)F)Nc1cnn(c1)[*:1]
COCCn1cc(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 FC(F)(F)[*:1] COCCn1cc(cn1)NC(=O)NCC#Cc1cccc(c1)[*:1]
COCCn1cc(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 COC[*:1] O=C(NCC#Cc1cccc(c1)C(F)(F)F)Nc1cnn(c1)C[*:1]
CCNC(=O)NC(=O)[C@@H](C)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 CCNC(=O)NC(=O)[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CN[C@H](C)[*:1])C1
CC(=O)c1n[nH]c2ccc(C)cc12 CC(=O)[*:1] Cc1ccc2[nH]nc(c2c1)[*:1]
C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCC(=O)N1CCN(CC1)[*:1]
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3sccc3C)C2)cc1Cl Cc1ccsc1[*:1] COc1ccc(cc1Cl)NC(=O)CC[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3sccc3C)C2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1ccsc1C(=O)N1CCC[C@@H](CCC(=O)N[*:1])C1
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)C[*:1] CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(Cl)cc2)c1 CCN(CC)S(=O)(=O)[*:1] O=C(NCc1ccc(Cl)cc1)c1cc(ccc1Cl)[*:1]
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NC[*:1]
O=C(CCc1ccccc1O)NNC(=O)COc1ccc(Cl)cc1 Oc1ccccc1[*:1] O=C(CC[*:1])NNC(=O)COc1ccc(Cl)cc1
O=C(CCc1ccccc1O)NNC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCc1ccccc1O)NNC(=O)CO[*:1]
O=C(CCc1ccccc1O)NNC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] O=C(CCc1ccccc1O)NNC(=O)C[*:1]
O=C(CCc1ccccc1O)NNC(=O)COc1ccc(Cl)cc1 Oc1ccccc1C[*:1] O=C(COc1ccc(Cl)cc1)NNC(=O)C[*:1]
O=C(NC1CC1)[C@H]1CN(Cc2ccnn2-c2ccccc2)CCN1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@H]1CN(CCN1)Cc1ccnn1[*:1]
O=C(NC1CC1)[C@H]1CN(Cc2ccnn2-c2ccccc2)CCN1 C1CC1[*:1] O=C(N[*:1])[C@H]1CN(CCN1)Cc1ccnn1-c1ccccc1
O=C(NC1CC1)[C@H]1CN(Cc2ccnn2-c2ccccc2)CCN1 O=C(NC1CC1)[*:1] c1ccc(cc1)-n1nccc1CN1CCN[C@H](C1)[*:1]
CC(=O)C[C@@H](C)[C@@H]1CCCc2cccnc21 CC(=O)C[*:1] C[C@@H]([C@@H]1CCCc2cccnc21)[*:1]
CC(=O)C[C@@H](C)[C@@H]1CCCc2cccnc21 CC(=O)[*:1] C[C@H](C[*:1])[C@@H]1CCCc2cccnc21
CCC[NH2+][C@H](C)c1ccnc(Sc2ccc(F)c(F)c2)c1 CCC[*:1] C[C@@H]([NH2+][*:1])c1ccnc(c1)Sc1ccc(F)c(F)c1
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCOC[C@@H]1C1CC1 Clc1ccc(cc1)C[*:1] Cc1nn(c(C)c1CN1CCOC[C@@H]1C1CC1)[*:1]
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCOC[C@@H]1C1CC1 Clc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CN1CCOC[C@@H]1C1CC1
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCOC[C@@H]1C1CC1 C1CC1[*:1] Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCOC[C@H]1[*:1]
Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 c1cc2OCOc2cc1[*:1] Cc1nc(cc(n1)N1CCN(CC1)C(=O)[*:1])N1CCCC1
Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 C1CCN(C1)[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)c1ccc2OCOc2c1
CN1C(=O)[C@@](CC(=O)NCc2nnn[n-]2)(Cc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CN1C(=O)[C@@](CC(=O)NCc2nnn[n-]2)(C[*:1])c2ccccc21
CN1C(=O)[C@@](CC(=O)NCc2nnn[n-]2)(Cc2ccccc2)c2ccccc21 c1ccc(cc1)C[*:1] CN1C(=O)[C@@](CC(=O)NCc2nnn[n-]2)(c2ccccc21)[*:1]
COCC[NH2+][C@]1(C(=O)[O-])CCCS[C@H]1C COCC[*:1] C[C@@H]1SCCC[C@]1([NH2+][*:1])C(=O)[O-]
COCC[NH2+][C@]1(C(=O)[O-])CCCS[C@H]1C COC[*:1] C[C@@H]1SCCC[C@]1([NH2+]C[*:1])C(=O)[O-]
COCC[NH2+][C@]1(C(=O)[O-])CCCS[C@H]1C O=C([O-])[*:1] COCC[NH2+][C@@]1(CCCS[C@H]1C)[*:1]
COCC[NH2+][C@]1(C(=O)[O-])CCCS[C@H]1C COCC[NH2+][*:1] C[C@@H]1SCCC[C@]1(C(=O)[O-])[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCCCN2CCOCC2)cc1C C1CN(CCO1)C[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)NCC[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCCCN2CCOCC2)cc1C C1CN(CCO1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)NCCC[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCCCN2CCOCC2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)NCCCN1CCOCC1
CC(=O)Nc1c(C)cc(NC(=O)NCCCN2CCOCC2)cc1C C1CN(CCO1)CC[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)NC[*:1]
C[C@H](NC(=O)CN1CCN(C(=O)C2CCCC2)CC1)C(=O)N1CCCCC1 C1CCC(C1)[*:1] C[C@H](NC(=O)CN1CCN(CC1)C(=O)[*:1])C(=O)N1CCCCC1
C[C@H](NC(=O)CN1CCN(C(=O)C2CCCC2)CC1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H](NC(=O)CN1CCN(CC1)C(=O)C1CCCC1)[*:1]
C[C@@H]1C[C@@H]1[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1 c1csc(n1)[*:1] C[C@@H]1C[C@@H]1[C@H]([NH2+]C1CCN(CC1)[*:1])c1ccccc1
C[C@@H]1C[C@@H]1[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1[C@H]([NH2+]C1CCN(CC1)c1nccs1)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)Nc1ccc2c3c(cccc13)CC2 CC[C@@H](C)[*:1] O=C(CCNC(=O)Nc1ccc2CCc3cccc1c32)N[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)Nc1ccc2c3c(cccc13)CC2 CC[C@@H](C)NC(=O)C[*:1] O=C(NC[*:1])Nc1ccc2CCc3cccc1c32
CC[C@@H](C)NC(=O)CCNC(=O)Nc1ccc2c3c(cccc13)CC2 CC[C@@H](C)NC(=O)[*:1] O=C(NCC[*:1])Nc1ccc2CCc3cccc1c32
CCCn1c(C)nnc1COC(=O)c1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] CCCn1c(C)nnc1COC(=O)c1cccc(c1)[*:1]
CCCn1c(C)nnc1COC(=O)c1cccc(N2CCCNC2=O)c1 CCC[*:1] Cc1nnc(COC(=O)c2cccc(c2)N2CCCNC2=O)n1[*:1]
C[C@H]1C(=O)NC2(CCCC2)C(=O)N1C[C@H]1CN(C)CCO1 CN1CCO[C@H](C1)[*:1] C[C@H]1C(=O)NC2(CCCC2)C(=O)N1C[*:1]
O=C(CCNc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 FC(F)(F)[*:1] O=C(CCNc1ccc(F)c(c1)[*:1])c1ccccc1
O=C(CCNc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCNc1ccc(F)c(c1)C(F)(F)F)[*:1]
Cc1ccc(C(=O)CCC(=O)NCCc2nnc3n2CCC3)cc1C C1Cc2nnc(n2C1)[*:1] Cc1ccc(cc1C)C(=O)CCC(=O)NCC[*:1]
Cc1ccc(C(=O)CCC(=O)NCCc2nnc3n2CCC3)cc1C Cc1ccc(cc1C)[*:1] O=C(CCC(=O)[*:1])NCCc1nnc2CCCn21
O=C(Cc1cccs1)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] O=C(Cc1cccs1)Nc1ccc(O[*:1])c(Cl)c1
O=C(Cc1cccs1)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] O=C(Cc1cccs1)Nc1ccc(c(Cl)c1)[*:1]
O=C(Cc1cccs1)Nc1ccc(OC(F)F)c(Cl)c1 c1csc(c1)[*:1] O=C(C[*:1])Nc1ccc(OC(F)F)c(Cl)c1
O=C(Cc1cccs1)Nc1ccc(OC(F)F)c(Cl)c1 c1csc(c1)C[*:1] O=C(Nc1ccc(OC(F)F)c(Cl)c1)[*:1]
Cc1cc(C(=O)N2CCN(Cc3ccncc3Cl)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(N1CCN(CC1)Cc1ccncc1Cl)[*:1]
Cc1cc(C(=O)N2CCN(Cc3ccncc3Cl)CC2)c(C)o1 Clc1cnccc1[*:1] Cc1cc(C(=O)N2CCN(CC2)C[*:1])c(C)o1
N#CCOc1c(F)cc(CBr)cc1F N#CCO[*:1] Fc1cc(cc(F)c1[*:1])CBr
N#CCOc1c(F)cc(CBr)cc1F N#CC[*:1] Fc1cc(cc(F)c1O[*:1])CBr
CCCC(=CC(=O)N1CCS[C@H]2COCC[C@@H]21)CCC CCC[*:1] CCCC(=CC(=O)N1CCS[C@H]2COCC[C@@H]21)[*:1]
CSc1nnc(SC)n1CCNC(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CSc1nnc(SC)n1CCNC(=O)[*:1]
C[NH+](C)[C@H](CNC(=O)c1cccc(SCC#N)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)c1cccc(c1)SCC#N)[*:1]
C[NH+](C)[C@H](CNC(=O)c1cccc(SCC#N)c1)c1cccc(F)c1 N#CC[*:1] C[NH+](C)[C@H](CNC(=O)c1cccc(c1)S[*:1])c1cccc(F)c1
C[NH+](C)[C@H](CNC(=O)c1cccc(SCC#N)c1)c1cccc(F)c1 N#CCS[*:1] C[NH+](C)[C@H](CNC(=O)c1cccc(c1)[*:1])c1cccc(F)c1
Cc1c(/C=C(/CCl)C(C)C)cnn1C CC(C)[*:1] Cc1c(/C=C(/CCl)[*:1])cnn1C
COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CC[C@@H]([NH+](C)C)C4)c3C3CC3)ncc1CC2 C1CC1[*:1] COc1ccc2CCc3cnc(nc3-c2c1)-n1ncc(C(=O)N2CC[C@H](C2)[NH+](C)C)c1[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@@H]1CCN(C1)C(=O)O[*:1]
CCCc1nn(C[NH+]2CC=C(c3cccc(C)c3)CC2)c(=O)o1 CCC[*:1] Cc1cccc(c1)C1=CC[NH+](CC1)Cn1nc(oc1=O)[*:1]
CCCc1nn(C[NH+]2CC=C(c3cccc(C)c3)CC2)c(=O)o1 Cc1cccc(c1)[*:1] CCCc1nn(C[NH+]2CC=C(CC2)[*:1])c(=O)o1
Cc1cc(C)cc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)c1 Cc1ccccc1[*:1] Cc1cc(C)cc(c1)NC(=O)CCc1c(C)n(C)c2cc(nn2c1=O)[*:1]
Cc1cc(C)cc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)c1 Cc1cc(C)cc(c1)[*:1] Cc1ccccc1-c1cc2n(C)c(C)c(CCC(=O)N[*:1])c(=O)n2n1
CS[C@@H](C)C(=O)Nc1cccc(CN(C)C(C)=O)c1 CC(=O)N(C)[*:1] CS[C@@H](C)C(=O)Nc1cccc(c1)C[*:1]
CS[C@@H](C)C(=O)Nc1cccc(CN(C)C(C)=O)c1 CC(=O)N(C)C[*:1] CS[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
CS[C@@H](C)C(=O)Nc1cccc(CN(C)C(C)=O)c1 CS[C@@H](C)[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)[*:1]
C[C@H](OC(=O)c1ccc(-n2cccc2)nc1)[C@H]1CCCO1 c1ccn(c1)[*:1] C[C@H](OC(=O)c1ccc(nc1)[*:1])[C@H]1CCCO1
C[C@H](OC(=O)c1ccc(-n2cccc2)nc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](OC(=O)c1ccc(nc1)-n1cccc1)[*:1]
Cc1ccccc1[C@@H]1CCCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 Cc1ccccc1[*:1] Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc2[nH]cc(C(=O)NN)c(=O)c2c1 NNC(=O)[*:1] Cc1ccc2[nH]cc(c(=O)c2c1)[*:1]
CCOC(=O)C1CCC(Nc2nccn(CC(C)C)c2=O)CC1 CCOC(=O)[*:1] CC(C)Cn1ccnc(NC2CCC(CC2)[*:1])c1=O
CCOC(=O)C1CCC(Nc2nccn(CC(C)C)c2=O)CC1 CC(C)C[*:1] CCOC(=O)C1CCC(CC1)Nc1nccn(c1=O)[*:1]
CCOC(=O)C1CCC(Nc2nccn(CC(C)C)c2=O)CC1 CC(C)[*:1] CCOC(=O)C1CCC(CC1)Nc1nccn(C[*:1])c1=O
CC(=O)N(C)c1cccc(NC(=O)N[C@H](C)C(=O)Nc2ccccc2)c1 CC(=O)N(C)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)[*:1])C(=O)Nc1ccccc1
CC(=O)N(C)c1cccc(NC(=O)N[C@H](C)C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N[C@H](C)C(=O)N[*:1]
N#Cc1ccc2nc(NCCCN3CCCC3=O)ccc2c1 O=C1CCCN1[*:1] N#Cc1ccc2nc(ccc2c1)NCCC[*:1]
N#Cc1ccc2nc(NCCCN3CCCC3=O)ccc2c1 O=C1CCCN1C[*:1] N#Cc1ccc2nc(ccc2c1)NCC[*:1]
COC(=O)c1ccc(S(=O)(=O)N(C)C2CCCC2)s1 C1CCC(C1)[*:1] COC(=O)c1ccc(s1)S(=O)(=O)N(C)[*:1]
COC(=O)c1ccc(S(=O)(=O)N(C)C2CCCC2)s1 COC(=O)[*:1] CN(C1CCCC1)S(=O)(=O)c1ccc(s1)[*:1]
Cc1nnc(SC(C(=O)N2CCCCC2)C(=O)N2CCCCC2)s1 O=C(N1CCCCC1)[*:1] Cc1nnc(SC(C(=O)N2CCCCC2)[*:1])s1
Cc1nnc(SC(C(=O)N2CCCCC2)C(=O)N2CCCCC2)s1 Cc1nnc(S[*:1])s1 O=C(C(C(=O)N1CCCCC1)[*:1])N1CCCCC1
Cc1nnc(SC(C(=O)N2CCCCC2)C(=O)N2CCCCC2)s1 Cc1nnc(s1)[*:1] O=C(C(S[*:1])C(=O)N1CCCCC1)N1CCCCC1
COC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)c1cc(nc2c1c(C)nn2C)-c1ccccc1)[*:1]
COC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)C(N)=O COC[*:1] Cc1nn(C)c2nc(cc(C(=O)N[C@@H](C(N)=O)[*:1])c12)-c1ccccc1
COC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)C(N)=O c1ccc(cc1)[*:1] COC[C@@H](NC(=O)c1cc(nc2c1c(C)nn2C)[*:1])C(N)=O
COc1cccc([C@H](C)N2CC[NH+](CC(C)(C)CCC#N)CC2)c1 CC(C)(CCC#N)[*:1] COc1cccc(c1)[C@H](C)N1CC[NH+](CC1)C[*:1]
COc1cccc([C@H](C)N2CC[NH+](CC(C)(C)CCC#N)CC2)c1 N#CC[*:1] COc1cccc(c1)[C@H](C)N1CC[NH+](CC1)CC(C)(C)C[*:1]
COc1cccc([C@H](C)N2CC[NH+](CC(C)(C)CCC#N)CC2)c1 N#CCC[*:1] COc1cccc(c1)[C@H](C)N1CC[NH+](CC1)CC(C)(C)[*:1]
COc1cccc([C@H](C)N2CC[NH+](CC(C)(C)CCC#N)CC2)c1 COc1cccc(c1)[*:1] C[C@H](N1CC[NH+](CC1)CC(C)(C)CCC#N)[*:1]
c1ccc(-c2nc(CN3CCN(c4ccc5nnnn5n4)CC3)cs2)cc1 c1cc2nnnn2nc1[*:1] c1ccc(cc1)-c1nc(cs1)CN1CCN(CC1)[*:1]
c1ccc(-c2nc(CN3CCN(c4ccc5nnnn5n4)CC3)cs2)cc1 c1ccc(cc1)[*:1] c1sc(nc1CN1CCN(CC1)c1ccc2nnnn2n1)[*:1]
O=C(Nc1ccc(NC(=O)[C@@H](O)c2ccccc2)cc1)C1CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[C@@H](O)[*:1])C1CC1
O=C(Nc1ccc(NC(=O)[C@@H](O)c2ccccc2)cc1)C1CC1 O=C(N[*:1])C1CC1 O=C(Nc1ccc(cc1)[*:1])[C@@H](O)c1ccccc1
O=C(Nc1ccc(NC(=O)[C@@H](O)c2ccccc2)cc1)C1CC1 C1CC1[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])[C@@H](O)c1ccccc1
COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)[NH+]2CCCC2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)[C@H](CNC(=O)C(=O)N[*:1])[NH+]1CCCC1
COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])C(=O)Nc1ccccc1F
COc1ccccc1[C@H](C)N(C)C(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] COc1ccccc1[C@H](C)N(C)C(=O)Nc1cc(ccc1C)[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)Nc1cc(-c2ncco2)ccc1C COc1ccccc1[*:1] Cc1ccc(cc1NC(=O)N(C)[C@@H](C)[*:1])-c1ncco1
Cc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)cc(F)c32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1cc(C(=O)[*:1])c(=O)c2cc(F)cc(F)c21
Cc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)cc(F)c32)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccccc1)c1cn(C[*:1])c2c(F)cc(F)cc2c1=O
Cc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)cc(F)c32)cc1 O=C(c1ccccc1)[*:1] Cc1ccc(cc1)Cn1cc(c(=O)c2cc(F)cc(F)c21)[*:1]
Cc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)cc(F)c32)cc1 Cc1ccc(cc1)C[*:1] O=C(c1ccccc1)c1cn(c2c(F)cc(F)cc2c1=O)[*:1]
COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(=O)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)N1CCOCC1
COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(=O)N2CCOCC2)cc1 O=C(C[*:1])N1CCOCC1 COc1ccc(cc1)C(=O)N[C@H](C)c1nc2ccccc2n1[*:1]
COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)C(=O)N[C@H](C)c1nc2ccccc2n1C[*:1]
CCC[NH+]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 N#Cc1ccc(cc1)[*:1] CCC[NH+]1CCCN(CC1)Cc1nnc(o1)[*:1]
CCC[NH+]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 CCC[*:1] N#Cc1ccc(cc1)-c1nnc(CN2CCC[NH+](CC2)[*:1])o1
COc1cc(F)c([N+](=O)[O-])c(Nc2cnn(CC(F)(F)F)c2)c1 FC(F)(F)[*:1] COc1cc(F)c(c(c1)Nc1cnn(c1)C[*:1])[N+](=O)[O-]
COc1cc(F)c([N+](=O)[O-])c(Nc2cnn(CC(F)(F)F)c2)c1 O=[N+]([O-])[*:1] COc1cc(F)c(c(c1)Nc1cnn(c1)CC(F)(F)F)[*:1]
COc1cc(F)c([N+](=O)[O-])c(Nc2cnn(CC(F)(F)F)c2)c1 FC(F)(F)C[*:1] COc1cc(F)c(c(c1)Nc1cnn(c1)[*:1])[N+](=O)[O-]
CCOc1ccccc1-c1noc(CN2CCN(c3ccccc3O)CC2)n1 Oc1ccccc1[*:1] CCOc1ccccc1-c1noc(CN2CCN(CC2)[*:1])n1
CCOc1ccccc1-c1noc(CN2CCN(c3ccccc3O)CC2)n1 CCOc1ccccc1[*:1] Oc1ccccc1N1CCN(CC1)Cc1nc(no1)[*:1]
CCOc1ccccc1-c1noc(CN2CCN(c3ccccc3O)CC2)n1 CCO[*:1] Oc1ccccc1N1CCN(CC1)Cc1nc(no1)-c1ccccc1[*:1]
COc1ccccc1Nc1snc(C)c1C(=O)[O-] O=C([O-])[*:1] COc1ccccc1Nc1snc(C)c1[*:1]
Cc1nnc2ccc(N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)nn12 c1ccc(cc1)[*:1] Cc1nnc2ccc(nn12)N1CCCCC[C@@H]1C[C@H](O)[*:1]
Cc1nnc2ccc(N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)nn12 O[C@H](c1ccccc1)[*:1] Cc1nnc2ccc(nn12)N1CCCCC[C@@H]1C[*:1]
O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)NCC1(c2ccc(Cl)cc2)CCC1 Fc1ccc(cc1)[*:1] O=C(NCC1(CCC1)c1ccc(Cl)cc1)c1nccnc1C(=O)NC[*:1]
O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)NCC1(c2ccc(Cl)cc2)CCC1 Fc1ccc(cc1)C[*:1] O=C(NCC1(CCC1)c1ccc(Cl)cc1)c1nccnc1C(=O)N[*:1]
O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)NCC1(c2ccc(Cl)cc2)CCC1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)NCC1(CCC1)[*:1]
Cc1cccc(C)c1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc4c(c3)OCO4)no2)c1=O Cc1cccc(C)c1NC(=O)[*:1] Cc1cc(C)n(C[*:1])c(=O)c1-c1nc(no1)-c1ccc2OCOc2c1
Cc1cccc(C)c1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc4c(c3)OCO4)no2)c1=O Cc1cccc(C)c1[*:1] Cc1cc(C)n(CC(=O)N[*:1])c(=O)c1-c1nc(no1)-c1ccc2OCOc2c1
Cc1cccc(C)c1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc4c(c3)OCO4)no2)c1=O c1cc2OCOc2cc1[*:1] Cc1cccc(C)c1NC(=O)Cn1c(C)cc(C)c(-c2nc(no2)[*:1])c1=O
Cc1ccc(C)n1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(C)n1Nc1ccc(c(c1)[*:1])[N+](=O)[O-]
Cc1ccc(C)n1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 O=[N+]([O-])[*:1] Cc1ccc(C)n1Nc1ccc(c(c1)C(F)(F)F)[*:1]
Cc1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cnn1-c1ccncc1 c1coc(c1)C[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N(C[C@@H]1CCCO1)[*:1]
Cc1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cnn1-c1ccncc1 C1CO[C@@H](C1)C[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N(Cc1ccco1)[*:1]
Cc1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N(Cc1ccco1)C[C@@H]1CCCO1
Cc1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cnn1-c1ccncc1 c1coc(c1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N(C[C@@H]1CCCO1)C[*:1]
CC(C)(C)c1ccc(=O)n(Cc2nnnn2-c2ccc(OC(F)F)cc2)n1 CC(C)(C)[*:1] O=c1ccc(nn1Cc1nnnn1-c1ccc(cc1)OC(F)F)[*:1]
CC(C)(C)c1ccc(=O)n(Cc2nnnn2-c2ccc(OC(F)F)cc2)n1 FC(F)[*:1] CC(C)(C)c1ccc(=O)n(Cc2nnnn2-c2ccc(cc2)O[*:1])n1
CC(C)(C)c1ccc(=O)n(Cc2nnnn2-c2ccc(OC(F)F)cc2)n1 FC(F)O[*:1] CC(C)(C)c1ccc(=O)n(Cc2nnnn2-c2ccc(cc2)[*:1])n1
COc1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)c1 O=C1CCS(=O)(=O)N1[*:1] COc1cccc(c1)NS(=O)(=O)c1ccc(cc1C)[*:1]
COc1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)c1 COc1cccc(c1)[*:1] Cc1cc(ccc1S(=O)(=O)N[*:1])N1C(=O)CCS1(=O)=O
C[NH+](C)Cc1cccc(NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 C1CN(CCO1)[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)NC[C@]1(CCSC1)[*:1]
CNC(=O)c1ccc(/C=C/C(=O)Nc2nc3c(cc2C#N)CCC3)cc1 CNC(=O)[*:1] N#Cc1cc2CCCc2nc1NC(=O)/C=C/c1ccc(cc1)[*:1]
COc1c(C)cc(C(=O)N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)cc1C c1ccc2CC(Cc2c1)[*:1] COc1c(C)cc(cc1C)C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CSCc1ccnc(N2CCN(Cc3csc(C)n3)CC2)c1 Cc1nc(cs1)C[*:1] CSCc1ccnc(c1)N1CCN(CC1)[*:1]
CSCc1ccnc(N2CCN(Cc3csc(C)n3)CC2)c1 Cc1nc(cs1)[*:1] CSCc1ccnc(c1)N1CCN(CC1)C[*:1]
CSCc1ccnc(N2CCN(Cc3csc(C)n3)CC2)c1 CSC[*:1] Cc1nc(cs1)CN1CCN(CC1)c1cc(ccn1)[*:1]
CC(=O)c1ccccc1NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 CC(=O)[*:1] Cc1nc(SCC(=O)Nc2ccccc2[*:1])c2c(C)c(C)sc2n1
CC[C@@H](C)CN(C)c1cccc(F)c1C(N)=[NH2+] CC[C@@H](C)[*:1] CN(C[*:1])c1cccc(F)c1C(N)=[NH2+]
CC[C@@H](C)CN(C)c1cccc(F)c1C(N)=[NH2+] CC[C@@H](C)C[*:1] CN(c1cccc(F)c1C(N)=[NH2+])[*:1]
CC[C@@H](C)CN(C)c1cccc(F)c1C(N)=[NH2+] NC(=[NH2+])[*:1] CC[C@@H](C)CN(C)c1cccc(F)c1[*:1]
CCCN1CCO[C@@H](C(=O)CC)C1 CCC[*:1] CCC(=O)[C@H]1CN(CCO1)[*:1]
CCCN1CCO[C@@H](C(=O)CC)C1 CCC(=O)[*:1] CCCN1CCO[C@@H](C1)[*:1]
CCC[NH+](Cc1c(C)nn(C)c1C)C1CCC([NH3+])CC1 CCC[*:1] Cc1nn(C)c(C)c1C[NH+](C1CCC([NH3+])CC1)[*:1]
O=C(NC[C@@H](O)c1ccccc1F)Nc1nccs1 c1csc(n1)[*:1] O=C(NC[C@@H](O)c1ccccc1F)N[*:1]
O=C1CCc2ccc(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)nc2N1 O=C(N1CCOCC1)[*:1] O=C1CCc2ccc(nc2N1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(c2ccccc2Cl)=NO1 Clc1ccccc1[*:1] COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=NO1)[*:1]
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)Cc1ccccc1)[*:1]
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccncc1 O=C(N[*:1])c1ccncc1 c1ccc(cc1)CN1CCN(CC1)c1cc(ncn1)[*:1]
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccncc1 c1ccc(cc1)C[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)[*:1])c1ccncc1
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccncc1 c1ccc(cc1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)C[*:1])c1ccncc1
C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(=O)N[*:1]
CCNC(=O)Nc1cccc(NC(=O)N(C)CC(C)(C)O)c1 CC(C)(O)[*:1] CCNC(=O)Nc1cccc(c1)NC(=O)N(C)C[*:1]
CCNC(=O)Nc1cccc(NC(=O)N(C)CC(C)(C)O)c1 CC(C)(O)C[*:1] CCNC(=O)Nc1cccc(c1)NC(=O)N(C)[*:1]
CCNC(=O)Nc1cccc(NC(=O)N(C)CC(C)(C)O)c1 CCNC(=O)N[*:1] CN(CC(C)(C)O)C(=O)Nc1cccc(c1)[*:1]
CO[C@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 C1CCC(C1)O[*:1] CO[C@H]1CCCN(C1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CO[C@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 C1CCC(C1)[*:1] CO[C@H]1CCCN(C1)C(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
Cc1cccc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])NCc1nc(no1)-c1ccccc1Cl
Cc1cccc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])NCc1nc(no1)-c1ccccc1Cl
Cc1cccc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)c1 Clc1ccccc1[*:1] Cc1cccc(c1)OCC(=O)NCc1nc(no1)[*:1]
C[C@@H]1CCC[C@@H](NC(=O)c2ccnc(-n3cncn3)c2)C1 C[C@@H]1CCC[C@@H](C1)[*:1] O=C(N[*:1])c1ccnc(c1)-n1cncn1
C[C@@H]1CCC[C@@H](NC(=O)c2ccnc(-n3cncn3)c2)C1 c1ncn(n1)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)c1ccnc(c1)[*:1]
O=C(Nc1ccc(-c2csnn2)cc1)[C@@H]1CCCS1 c1snnc1[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCCS1
CCOCCCNC(=O)C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 CCOCCC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cc[n+]([O-])cc1
CCOCCCNC(=O)C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 CCOCC[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1cc[n+]([O-])cc1
CCOCCCNC(=O)C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 CCOC[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)c1cc[n+]([O-])cc1
CCOCCCNC(=O)C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 [O-][n+]1ccc(cc1)[*:1] CCOCCCNC(=O)C1CCN(CC1)C(=O)[*:1]
CCOCCCNC(=O)C1CCN(C(=O)c2cc[n+]([O-])cc2)CC1 CCO[*:1] O=C(NCCC[*:1])C1CCN(CC1)C(=O)c1cc[n+]([O-])cc1
C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 c1coc(c1)C[*:1] C[C@@H]1CCC[C@H](C1)OC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 C[C@@H]1CCC[C@@H](C1)[*:1] O=C(O[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 c1coc(c1)[*:1] C[C@@H]1CCC[C@H](C1)OC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CON(C)CCCSCc1ccccc1 CON(C)[*:1] c1ccc(cc1)CSCCC[*:1]
CON(C)CCCSCc1ccccc1 CON(C)C[*:1] c1ccc(cc1)CSCC[*:1]
CCOc1ccccc1[C@@H]1CC(c2ccc(OC)c(OC)c2)=NN1C(C)=O CCOc1ccccc1[*:1] COc1ccc(cc1OC)C1C[C@H](N(N=1)C(C)=O)[*:1]
CCOc1ccccc1[C@@H]1CC(c2ccc(OC)c(OC)c2)=NN1C(C)=O CCO[*:1] COc1ccc(cc1OC)C1C[C@@H](c2ccccc2[*:1])N(N=1)C(C)=O
COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 Oc1ccccc1[*:1] COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(CC1)C(=O)N[*:1]
COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 COc1cc(Cl)c(C)cc1[*:1] O=C(C[NH+]1CCC(CC1)C(=O)Nc1ccccc1O)N[*:1]
COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 O=C(Nc1ccccc1O)[*:1] COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(CC1)[*:1]
Cc1cccc(C(=O)NC[C@@H](O)c2sccc2C)c1 Cc1ccsc1[*:1] Cc1cccc(c1)C(=O)NC[C@@H](O)[*:1]
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@@H](CO)c1ccco1)C2=O c1coc(c1)[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)C(=O)N[C@@H](CO)[*:1]
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@@H](CO)c1ccco1)C2=O OC[C@@H](c1ccco1)[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)C(=O)N[*:1]
COCc1cn(C[C@@H]2CCCN(C(=O)Nc3cccc(C#N)c3)C2)nn1 COC[*:1] N#Cc1cccc(c1)NC(=O)N1CCC[C@H](C1)Cn1cc(nn1)[*:1]
COCc1cn(C[C@@H]2CCCN(C(=O)Nc3cccc(C#N)c3)C2)nn1 COCc1cn(nn1)[*:1] N#Cc1cccc(c1)NC(=O)N1CCC[C@H](C1)C[*:1]
COCc1cn(C[C@@H]2CCCN(C(=O)Nc3cccc(C#N)c3)C2)nn1 N#Cc1cccc(c1)[*:1] COCc1cn(C[C@@H]2CCCN(C2)C(=O)N[*:1])nn1
C[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 C[S@@](=O)[*:1] C[C@H](NCc1ccc(cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](NCc1ccc(cc1)[S@@](C)=O)c1ccc(cc1)[*:1]
O=C(Nc1cc(-c2ccco2)ccc1F)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1cc(ccc1F)-c1ccco1)[*:1]
O=C(Nc1cc(-c2ccco2)ccc1F)c1ccccc1F c1coc(c1)[*:1] O=C(Nc1cc(ccc1F)[*:1])c1ccccc1F
Cc1cc(NC(=O)C(=O)NCc2cccs2)n(C)n1 c1csc(c1)[*:1] Cc1cc(NC(=O)C(=O)NC[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)NCc2cccs2)n(C)n1 c1csc(c1)C[*:1] Cc1cc(NC(=O)C(=O)N[*:1])n(C)n1
Fc1ccc2c(c1)[C@@H](NCc1cnc(-c3ccccn3)s1)CC2 c1ccc(nc1)[*:1] Fc1ccc2CC[C@H](NCc3cnc(s3)[*:1])c2c1
FC(F)(F)Oc1cnc(Cl)cc1I FC(F)(F)[*:1] Clc1cc(I)c(cn1)O[*:1]
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn3cnnc3s2)cc1 O=[N+]([O-])c1ccccc1[*:1] O=C(CO[*:1])Nc1ccc(cc1)-c1nn2cnnc2s1
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn3cnnc3s2)cc1 c1nnc2sc(nn12)[*:1] O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(cc1)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn3cnnc3s2)cc1 O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])Nc1ccc(cc1)-c1nn2cnnc2s1
C[C@@H](Cl)c1nc2cc(Br)cnc2n1C C[C@@H](Cl)[*:1] Cn1c(nc2cc(Br)cnc21)[*:1]
COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCOCC2)CC1=O O=C(C[*:1])N1CCOCC1 COc1ccc(Cl)cc1N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCOCC2)CC1=O O=C(N1CCOCC1)[*:1] COc1ccc(Cl)cc1N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCOCC2)CC1=O COc1ccc(Cl)cc1[*:1] O=C(Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1])N1CCOCC1
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)C(F)=C(C)C CC(C)=C(F)[*:1] COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)C(F)=C(C)C COC(=O)[C@H](C)[*:1] CC(C)=C(F)C(=O)Nc1cc(F)ccc1C(=O)N[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)C(F)=C(C)C COC(=O)[*:1] CC(C)=C(F)C(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C)[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)C(F)=C(C)C CC(C)=C(F)C(=O)N[*:1] COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1[*:1]
CCc1cc(NCc2cccc(OC(F)F)c2)n2nccc2n1 FC(F)O[*:1] CCc1cc(NCc2cccc(c2)[*:1])n2nccc2n1
CCc1cc(NCc2cccc(OC(F)F)c2)n2nccc2n1 FC(F)[*:1] CCc1cc(NCc2cccc(c2)O[*:1])n2nccc2n1
CC(C)(C)c1csc(CNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)n1 O=C(N1CCOCC1)[*:1] CC(C)(C)c1csc(CNC(=O)N2CCC(CC2)[*:1])n1
CC(C)(C)c1csc(CNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)n1 CC(C)(C)c1csc(n1)[*:1] O=C(NC[*:1])N1CCC(CC1)C(=O)N1CCOCC1
CC(C)(C)c1csc(CNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)n1 CC(C)(C)[*:1] O=C(NCc1nc(cs1)[*:1])N1CCC(CC1)C(=O)N1CCOCC1
CCCC(=O)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 CCC[*:1] O=C(N1Cc2ccccc2OC2(CCC(CC2)N2CCOCC2)C1)[*:1]
CCCC(=O)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 C1CN(CCO1)[*:1] CCCC(=O)N1Cc2ccccc2OC2(CCC(CC2)[*:1])C1
CCCN(CCC)C(=O)Cn1cnc(C2CCC2)cc1=O CCC[*:1] CCCN(C(=O)Cn1cnc(cc1=O)C1CCC1)[*:1]
CCCN(CCC)C(=O)Cn1cnc(C2CCC2)cc1=O C1CC(C1)[*:1] CCCN(CCC)C(=O)Cn1cnc(cc1=O)[*:1]
O=C(CC[NH+]1CCN(c2ncccc2F)CC1)Nc1ccc(Cl)cc1 Fc1cccnc1[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])Nc1ccc(Cl)cc1
O=C(CC[NH+]1CCN(c2ncccc2F)CC1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)c1ncccc1F)N[*:1]
Cc1ccc([C@@]2(CC/N=C/c3ccco3)CCO[C@@H](C(C)C)C2)cc1 C(=N/C[*:1])\c1ccco1 Cc1ccc(cc1)[C@]1(CCO[C@H](C1)C(C)C)C[*:1]
Cc1ccc([C@@]2(CC/N=C/c3ccco3)CCO[C@@H](C(C)C)C2)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@@]1(CC/N=C/c2ccco2)CCO[C@@H](C1)[*:1]
Cc1ccc([C@@]2(CC/N=C/c3ccco3)CCO[C@@H](C(C)C)C2)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H]1C[C@@](CC/N=C/c2ccco2)(CCO1)[*:1]
Cc1ccc([C@@]2(CC/N=C/c3ccco3)CCO[C@@H](C(C)C)C2)cc1 C(=N[*:1])c1ccco1 Cc1ccc(cc1)[C@]1(CCO[C@H](C1)C(C)C)CC[*:1]
Cc1ccc([C@@]2(CC/N=C/c3ccco3)CCO[C@@H](C(C)C)C2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@@]1(CCN=C[*:1])CCO[C@H](C1)C(C)C
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1Br COc1ccc(cc1Br)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc21)[*:1]
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)Cc1ccon1 c1cc(no1)[*:1] Cc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N(C)C(C)C
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)Cc1ccon1 CC(C)[*:1] Cc1ccc(cc1NC(=O)Cc1ccon1)S(=O)(=O)N(C)[*:1]
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)Cc1ccon1 CC(C)N(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)Cc1ccon1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)Cc1ccon1 c1cc(C[*:1])no1 Cc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N(C)C(C)C
C[NH2+][C@@H](Cc1ccnc2ccccc12)C(C)(C)OC COC(C)(C)[*:1] C[NH2+][C@@H](Cc1ccnc2ccccc12)[*:1]
CNC(=O)c1ccc(N[C@H](C[NH+](C)C)C(C)C)nn1 CNC(=O)[*:1] CC(C)[C@@H](C[NH+](C)C)Nc1ccc(nn1)[*:1]
CNC(=O)c1ccc(N[C@H](C[NH+](C)C)C(C)C)nn1 CC(C)[*:1] CNC(=O)c1ccc(nn1)N[C@H](C[NH+](C)C)[*:1]
Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 Brc1ccc(cc1)O[*:1] Cc1ccc(cc1)C(=O)NNC(=S)NC(=O)C[*:1]
Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NNC(=S)NC(=O)CO[*:1]
CCCNc1ccnc(C(C)(C)OC)n1 COC(C)(C)[*:1] CCCNc1ccnc(n1)[*:1]
CCCNc1ccnc(C(C)(C)OC)n1 CCCN[*:1] COC(C)(C)c1nccc(n1)[*:1]
CCCNc1ccnc(C(C)(C)OC)n1 CCC[*:1] COC(C)(C)c1nccc(n1)N[*:1]
C[C@H]1CC[C@@H]([C@H](C(=O)[O-])[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C O=C([O-])[*:1] C[C@H]1CC[C@H](C[C@@H]1C)[C@H]([C@@H]1CCS(=O)(=O)C1)[*:1]
CCC[NH2+]Cc1ncnn1[C@@H]1CCO[C@]2(CCSC2)C1 CCC[*:1] c1nc(C[NH2+][*:1])n(n1)[C@@H]1CCO[C@]2(CCSC2)C1
CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 OCC[*:1] CC[C@@H](C[NH2+][C@@H](C)c1ccc2OCC(=O)Nc2c1)[*:1]
CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 CC[C@@H](CCO)[*:1] C[C@H]([NH2+]C[*:1])c1ccc2OCC(=O)Nc2c1
CC[C@@H](NC(=O)Cc1cccc(OC)c1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NC(=O)Cc1cccc(c1)OC)c1nc(cs1)[*:1]
CC[C@@H](NC(=O)Cc1cccc(OC)c1)c1nc(C(F)(F)F)cs1 COc1cccc(c1)[*:1] CC[C@@H](NC(=O)C[*:1])c1nc(cs1)C(F)(F)F
Cc1ccc(N2CCC[C@@H](NC(=O)N(C)CC(C)C)C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)N1CCC[C@@H](NC(=O)N(C)C[*:1])C1=O
Cc1ccc(N2CCC[C@@H](NC(=O)N(C)CC(C)C)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)CN(C)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
Cc1ccc(N2CCC[C@@H](NC(=O)N(C)CC(C)C)C2=O)cc1 CC(C)C[*:1] Cc1ccc(cc1)N1CCC[C@@H](NC(=O)N(C)[*:1])C1=O
Cc1cccc2cc(C[NH2+]CCN3CCOCC3)c(Cl)nc12 C1CN(CCO1)C[*:1] Cc1cccc2cc(C[NH2+]C[*:1])c(Cl)nc12
Cc1cccc2cc(C[NH2+]CCN3CCOCC3)c(Cl)nc12 C1CN(CCO1)[*:1] Cc1cccc2cc(C[NH2+]CC[*:1])c(Cl)nc12
O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(Br)c1 O=C([O-])[*:1] O=C(Nc1ccc(Cl)c(Br)c1)[C@H]1C[C@@H]1[*:1]
COc1ccc(OC)c(CNc2nc(C)c(C(=O)[O-])s2)c1 O=C([O-])[*:1] COc1ccc(OC)c(c1)CNc1nc(C)c(s1)[*:1]
CCCOc1ccccc1[C@@H]1C(C(=O)Nc2cccc(C)c2C)=C(C)Nc2nnnn21 CCC[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)Nc1cccc(C)c1C)c1ccccc1O[*:1]
CCCOc1ccccc1[C@@H]1C(C(=O)Nc2cccc(C)c2C)=C(C)Nc2nnnn21 CCCO[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)Nc1cccc(C)c1C)c1ccccc1[*:1]
CCCOc1ccccc1[C@@H]1C(C(=O)Nc2cccc(C)c2C)=C(C)Nc2nnnn21 CCCOc1ccccc1[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)Nc1cccc(C)c1C)[*:1]
CCCOc1ccccc1[C@@H]1C(C(=O)Nc2cccc(C)c2C)=C(C)Nc2nnnn21 Cc1cccc(c1C)[*:1] CCCOc1ccccc1[C@@H]1C(C(=O)N[*:1])=C(C)Nc2nnnn21
O=C1CN(C(=O)Nc2cnc(-c3ccccc3)s2)[C@H]2CCCC[C@@H]2N1 c1ccc(cc1)[*:1] O=C1CN(C(=O)Nc2cnc(s2)[*:1])[C@H]2CCCC[C@@H]2N1
C[C@@H]1C[C@H](N2CCN(Cc3ccon3)CC2)C(=O)O1 c1cc(no1)[*:1] C[C@@H]1C[C@@H](C(=O)O1)N1CCN(CC1)C[*:1]
C[C@@H]1C[C@H](N2CCN(Cc3ccon3)CC2)C(=O)O1 c1cc(C[*:1])no1 C[C@@H]1C[C@@H](C(=O)O1)N1CCN(CC1)[*:1]
O=C(NC(=S)NNC(=O)c1cc2ccccc2cc1O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NNC(=S)NC(=O)[*:1])c1cc2ccccc2cc1O
CCCCOC(=O)[C@@H]1CC(Cl)=NO1 CCCC[*:1] O=C(O[*:1])[C@@H]1CC(Cl)=NO1
CCCCOC(=O)[C@@H]1CC(Cl)=NO1 CCC[*:1] O=C(OC[*:1])[C@@H]1CC(Cl)=NO1
C[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccc(Br)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCc1nc(no1)[*:1])c1ccc(Br)cc1
C[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCc1nc(no1)-c1ccccc1)[*:1]
CC(C)(C[NH+]1CCC(C(N)=S)CC1)C(=O)[O-] NC(=S)[*:1] CC(C)(C[NH+]1CCC(CC1)[*:1])C(=O)[O-]
CC(C)(C[NH+]1CCC(C(N)=S)CC1)C(=O)[O-] O=C([O-])[*:1] CC(C)(C[NH+]1CCC(CC1)C(N)=S)[*:1]
Cc1cc(N(C)C[C@H](O)CN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N(C)C[C@H](O)CN1CC[NH+](C)CC1
CCc1nn(C)c(OC)c1CNC(=O)NC[C@@H]1CCO[C@@H]1C(C)C CC(C)[*:1] CCc1nn(C)c(OC)c1CNC(=O)NC[C@@H]1CCO[C@H]1[*:1]
COc1ccccc1[C@H](NC[C@@](C)(O)c1ccco1)C1CCCC1 C1CCC(C1)[*:1] COc1ccccc1[C@H](NC[C@@](C)(O)c1ccco1)[*:1]
COc1ccccc1[C@H](NC[C@@](C)(O)c1ccco1)C1CCCC1 c1coc(c1)[*:1] COc1ccccc1[C@H](NC[C@@](C)(O)[*:1])C1CCCC1
COc1ccccc1[C@H](NC[C@@](C)(O)c1ccco1)C1CCCC1 COc1ccccc1[*:1] C[C@@](O)(CN[C@H](C1CCCC1)[*:1])c1ccco1
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1 O=[N+]([O-])[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccccc1Oc1ccccc1
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])Nc1ccccc1[*:1]
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])Nc1ccccc1O[*:1]
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccccc1Oc1ccccc1
O=C(Nc1ccc(-n2cccc(C(=O)NC3CCCC3)c2=O)cc1)c1ccccc1 C1CCC(C1)[*:1] O=C(Nc1ccc(cc1)-n1cccc(C(=O)N[*:1])c1=O)c1ccccc1
O=C(Nc1ccc(-n2cccc(C(=O)NC3CCCC3)c2=O)cc1)c1ccccc1 O=C(NC1CCCC1)[*:1] O=C(Nc1ccc(cc1)-n1cccc(c1=O)[*:1])c1ccccc1
O=C(Nc1ccc(-n2cccc(C(=O)NC3CCCC3)c2=O)cc1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(NC1CCCC1)c1cccn(-c2ccc(cc2)[*:1])c1=O
O=C(Nc1ccc(-n2cccc(C(=O)NC3CCCC3)c2=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CCCC1)c1cccn(-c2ccc(cc2)NC(=O)[*:1])c1=O
Cc1cscc1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F Cc1cscc1[*:1] O=C(N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)[*:1]
CC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1 CC(=O)N[*:1] Cc1ccc(cc1Cl)NC(=O)[C@@H](C)Oc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1 Cc1ccc(cc1Cl)[*:1] CC(=O)Nc1ccc(cc1)O[C@H](C)C(=O)N[*:1]
COC(=O)[C@H]1CN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C[C@@H](C)O1 C[C@H]1C[C@H]1[*:1] COC(=O)[C@H]1CN(Cc2ccc(o2)[*:1])C[C@@H](C)O1
COC(=O)[C@H]1CN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C[C@@H](C)O1 COC(=O)[*:1] C[C@H]1C[C@H]1c1ccc(CN2C[C@@H](C)O[C@H](C2)[*:1])o1
COc1ccc(CN(C(=O)C[NH3+])C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)CN(C(=O)C[NH3+])[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)N1CCn2cc[nH+]c2C1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)N1CCn2cc[nH+]c2C1
CC(C)(C)N(CC(=O)[O-])C(=O)N1CCn2cc[nH+]c2C1 CC(C)(C)[*:1] O=C([O-])CN(C(=O)N1CCn2cc[nH+]c2C1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)N1CCn2cc[nH+]c2C1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)N1CCn2cc[nH+]c2C1)[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(c1cccc(C)n1)C3=O Cc1cccc(n1)[*:1] Cc1ccc2oc3C(=O)N([C@H](c4ccc(Br)cc4)c3c(=O)c2c1)[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(c1cccc(C)n1)C3=O Brc1ccc(cc1)[*:1] Cc1ccc2oc3C(=O)N(c4cccc(C)n4)[C@H](c3c(=O)c2c1)[*:1]
COCCN(C(=O)c1ccc(Cl)cc1OC)c1ccncc1 COCC[*:1] COc1cc(Cl)ccc1C(=O)N(c1ccncc1)[*:1]
COCCN(C(=O)c1ccc(Cl)cc1OC)c1ccncc1 COC[*:1] COc1cc(Cl)ccc1C(=O)N(C[*:1])c1ccncc1
COCCN(C(=O)c1ccc(Cl)cc1OC)c1ccncc1 c1cc(ccn1)[*:1] COCCN(C(=O)c1ccc(Cl)cc1OC)[*:1]
CC(C)Cn1ccnc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)c1=O C1CN(CCO1)[*:1] CC(C)Cn1ccnc(NC[C@H]([C@H]2CCOC2)[*:1])c1=O
CC(C)Cn1ccnc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)c1=O C1C[C@@H](CO1)[*:1] CC(C)Cn1ccnc(NC[C@H](N2CCOCC2)[*:1])c1=O
CC(C)Cn1ccnc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)c1=O CC(C)[*:1] O=c1c(nccn1C[*:1])NC[C@H]([C@H]1CCOC1)N1CCOCC1
CC(C)Cn1ccnc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)c1=O CC(C)C[*:1] O=c1c(nccn1[*:1])NC[C@H]([C@H]1CCOC1)N1CCOCC1
N#CC(C#N)=c1s/c(=C\c2ccc(F)cc2)c(=O)n1CCc1cccnc1 c1cncc(c1)CC[*:1] N#CC(C#N)=c1s/c(=C\c2ccc(F)cc2)c(=O)n1[*:1]
N#CC(C#N)=c1s/c(=C\c2ccc(F)cc2)c(=O)n1CCc1cccnc1 c1cncc(c1)C[*:1] N#CC(C#N)=c1s/c(=C\c2ccc(F)cc2)c(=O)n1C[*:1]
N#CC(C#N)=c1s/c(=C\c2ccc(F)cc2)c(=O)n1CCc1cccnc1 c1cncc(c1)[*:1] N#CC(C#N)=c1s/c(=C\c2ccc(F)cc2)c(=O)n1CC[*:1]
N#CC(C#N)=c1s/c(=C\c2ccc(F)cc2)c(=O)n1CCc1cccnc1 Fc1ccc(cc1)[*:1] N#CC(C#N)=c1sc(=C[*:1])c(=O)n1CCc1cccnc1
Cc1nc(NCCc2n[nH]c(-c3ccco3)n2)c2cc[nH]c2n1 c1coc(c1)[*:1] Cc1nc(NCCc2n[nH]c(n2)[*:1])c2cc[nH]c2n1
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3C)n2)cc1 Cc1ccccc1N[*:1] COc1ccc(cc1)-c1csc(n1)C(C#N)=C[*:1]
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3C)n2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)-c1csc(n1)/C(C#N)=C\N[*:1]
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3C)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1N/C=C(/C#N)c1nc(cs1)[*:1]
CCSc1ccc([C@@H](C)NC(=O)Cc2ccc[nH]2)cc1 c1c[nH]c(c1)C[*:1] CCSc1ccc(cc1)[C@@H](C)NC(=O)[*:1]
CCSc1ccc([C@@H](C)NC(=O)Cc2ccc[nH]2)cc1 CCS[*:1] C[C@@H](NC(=O)Cc1ccc[nH]1)c1ccc(cc1)[*:1]
CCSc1ccc([C@@H](C)NC(=O)Cc2ccc[nH]2)cc1 c1c[nH]c(c1)[*:1] CCSc1ccc(cc1)[C@@H](C)NC(=O)C[*:1]
Cn1ccc(C(=O)Nc2c(F)c(F)cc(F)c2F)n1 Cn1ccc(n1)[*:1] O=C(Nc1c(F)c(F)cc(F)c1F)[*:1]
CS(=O)(=O)N(CC(N)=O)c1ccccc1F NC(=O)C[*:1] CS(=O)(=O)N(c1ccccc1F)[*:1]
CS(=O)(=O)N(CC(N)=O)c1ccccc1F NC(=O)[*:1] CS(=O)(=O)N(C[*:1])c1ccccc1F
C[C@@H](NC(=O)NCc1ccc([N+]2=CCCC2)cc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)[N+]1=CCCC1)[*:1]
O=C(Nc1ccc(O)cc1)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] O=C(Nc1ccc(O)cc1)c1cccc(c1)[*:1]
O=C(Nc1ccc(O)cc1)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1ccc(O)cc1)c1cccc(c1)OC[*:1]
O=C(Nc1ccc(O)cc1)c1cccc(OCc2ccccc2)c1 Oc1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)OCc1ccccc1
O=C(Nc1ccc(O)cc1)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(O)cc1)c1cccc(c1)O[*:1]
O=C(COCc1nc2ccccc2s1)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(COCc1nc2ccccc2s1)N[*:1]
CC[C@H]1CC[C@@H](Nc2ccc(C(N)=O)cn2)[C@@H]1C NC(=O)[*:1] CC[C@H]1CC[C@@H](Nc2ccc(cn2)[*:1])[C@@H]1C
Cc1nc(N(C)C)sc1CN1CC[C@H]2OCCC[C@@H]2C1 CN(C)[*:1] Cc1nc(sc1CN1CC[C@H]2OCCC[C@@H]2C1)[*:1]
CN(CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 [NH3+]CCO[*:1] CN(CC[*:1])[C@H]1CCS(=O)(=O)C1
CN(CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 [NH3+]CC[*:1] CN(CCO[*:1])[C@H]1CCS(=O)(=O)C1
CN(CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 [NH3+]CCOC[*:1] CN(C[*:1])[C@H]1CCS(=O)(=O)C1
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 O=S1(=O)CCCN1[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 CCN(CC)S(=O)(=O)[*:1] O=C(Nc1ccc(cc1)N1CCCS1(=O)=O)c1ccc(cc1)[*:1]
C[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] C[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@H](C)[*:1]
C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H](C)O[C@H](C)C1 FC(F)(F)[*:1] C[C@@H](C(=O)Nc1ccc(Cl)c(c1)[*:1])N1C[C@@H](C)O[C@H](C)C1
C[C@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] C[C@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccccc1[*:1]
C[C@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccccc1-n1cccn1 Cn1cccc1[*:1] C[C@H](CC[*:1])NC(=O)C(=O)Nc1ccccc1-n1cccn1
C[C@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccccc1-n1cccn1 Cn1cccc1CC[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1-n1cccn1)[*:1]
C[C@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccccc1-n1cccn1 Cn1cccc1C[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1ccccc1-n1cccn1
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)[*:1]
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1 C1CO[C@@H](C1)C[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1[*:1])C(=O)Nc1ccc(Cl)cc1
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H](Sc1nnc(n1C[C@@H]1CCCO1)[*:1])C(=O)Nc1ccc(Cl)cc1
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C(=O)N[*:1]
COc1ccc(-n2nc(C(=O)N(C)[C@@H](C)Cc3cccs3)cc2C)cc1 c1csc(c1)C[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)N(C)[C@@H](C)[*:1]
COc1ccc(-n2nc(C(=O)N(C)[C@@H](C)Cc3cccs3)cc2C)cc1 c1csc(c1)[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)N(C)[C@@H](C)C[*:1]
COc1ccc(-n2nc(C(=O)N(C)[C@@H](C)Cc3cccs3)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)N(C)[C@@H](C)Cc1cccs1
CC(C)Cc1nnc(NC(=O)Cn2ccc(=O)[nH]c2=O)s1 CC(C)[*:1] O=C(Cn1ccc(=O)[nH]c1=O)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)Cn2ccc(=O)[nH]c2=O)s1 CC(C)C[*:1] O=C(Cn1ccc(=O)[nH]c1=O)Nc1nnc(s1)[*:1]
CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=C2CCCCC2)c1 CCN(CC)S(=O)(=O)[*:1] O=C(NN=C1CCCCC1)c1cccc(c1)[*:1]
COc1cc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccn1 COc1cc(ccn1)[*:1] O=C(NC[*:1])c1csc(n1)-c1cccc(c1)[N+](=O)[O-]
COc1cc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccn1 O=[N+]([O-])[*:1] COc1cc(ccn1)CNC(=O)c1csc(n1)-c1cccc(c1)[*:1]
Cc1ccc([C@H](C)[NH2+]CC2(CC(C)C)CCCC2)o1 CC(C)[*:1] Cc1ccc(o1)[C@H](C)[NH2+]CC1(CCCC1)C[*:1]
Cc1ccc([C@H](C)[NH2+]CC2(CC(C)C)CCCC2)o1 CC(C)C[*:1] Cc1ccc(o1)[C@H](C)[NH2+]CC1(CCCC1)[*:1]
Cc1ccc([C@H](C)[NH2+]CC2(CC(C)C)CCCC2)o1 Cc1ccc(o1)[*:1] CC(C)CC1(CCCC1)C[NH2+][C@@H](C)[*:1]
CCS[C@H](C(=O)[O-])C(C)C O=C([O-])[*:1] CCS[C@H](C(C)C)[*:1]
CCS[C@H](C(=O)[O-])C(C)C CCS[*:1] CC(C)[C@@H](C(=O)[O-])[*:1]
CCS[C@H](C(=O)[O-])C(C)C CC(C)[*:1] CCS[C@H](C(=O)[O-])[*:1]
COC(=O)c1ccc(CS(=O)(=O)c2ccccc2F)nc1 Fc1ccccc1[*:1] COC(=O)c1ccc(CS(=O)(=O)[*:1])nc1
COC(=O)c1ccc(CS(=O)(=O)c2ccccc2F)nc1 COC(=O)[*:1] O=S(=O)(Cc1ccc(cn1)[*:1])c1ccccc1F
C[C@@H]1CN(c2ccccc2C[NH2+]CCc2cn3ccccc3[nH+]2)C[C@@H](C)O1 C[C@@H]1CN(C[C@@H](C)O1)[*:1] c1ccc(c(c1)C[NH2+]CCc1cn2ccccc2[nH+]1)[*:1]
CCc1nsc(NCc2ccccc2CN2CCOCC2)n1 C1CN(CCO1)[*:1] CCc1nsc(n1)NCc1ccccc1C[*:1]
CCc1nsc(NCc2ccccc2CN2CCOCC2)n1 C1CN(CCO1)C[*:1] CCc1nsc(n1)NCc1ccccc1[*:1]
CCc1nsc(NCc2ccccc2CN2CCOCC2)n1 CCc1nsc(n1)[*:1] c1ccc(CN2CCOCC2)c(c1)CN[*:1]
O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CCSCC1 O=C(N1CCSCC1)[*:1] FC(F)(F)[C@H]1C[C@@H](Nc2cc(nn21)[*:1])c1ccco1
O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CCSCC1 FC(F)(F)[*:1] O=C(c1cc2N[C@H](C[C@H](n2n1)[*:1])c1ccco1)N1CCSCC1
O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CCSCC1 c1coc(c1)[*:1] O=C(c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1])N1CCSCC1
COc1ccc(C2=NN(CC(=O)NCc3cccnc3)C(=O)CC2)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)C1CCC(=O)N(CC(=O)N[*:1])N=1
COc1ccc(C2=NN(CC(=O)NCc3cccnc3)C(=O)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CN1N=C(CCC1=O)[*:1])NCc1cccnc1
COc1ccc(C2=NN(CC(=O)NCc3cccnc3)C(=O)CC2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)C1CCC(=O)N(CC(=O)NC[*:1])N=1
CC1(C)C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C(C)(C)O1 NS(=O)(=O)[*:1] CC1(C)C[C@H]([NH2+]Cc2ccc(cc2)[*:1])C(C)(C)O1
Cn1c(CCC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)nc2ccccc2c1=O c1ccc2sc(C[*:1])nc2c1 Cn1c(CCC(=O)Nc2ccc(cc2)[*:1])nc2ccccc2c1=O
Cn1c(CCC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)nc2ccccc2c1=O c1ccc2sc(nc2c1)[*:1] Cn1c(CCC(=O)Nc2ccc(cc2)C[*:1])nc2ccccc2c1=O
CCS(=O)(=O)[C@@H]1CSCCN1[C@H](C[NH3+])CC(N)=O NC(=O)C[*:1] CCS(=O)(=O)[C@@H]1CSCCN1[C@H](C[NH3+])[*:1]
CCS(=O)(=O)[C@@H]1CSCCN1[C@H](C[NH3+])CC(N)=O CCS(=O)(=O)[*:1] NC(=O)C[C@@H](C[NH3+])N1CCSC[C@H]1[*:1]
CCS(=O)(=O)[C@@H]1CSCCN1[C@H](C[NH3+])CC(N)=O NC(=O)[*:1] CCS(=O)(=O)[C@@H]1CSCCN1[C@H](C[NH3+])C[*:1]
COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)c4ccnc(N(C)C)c4)C3)c2N)cc1 CN(C)[*:1] COc1ccc(cc1)-n1ncc(C(=O)[C@@H]2CCCN(C2)C(=O)c2ccnc(c2)[*:1])c1N
COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)c4ccnc(N(C)C)c4)C3)c2N)cc1 COc1ccc(cc1)[*:1] CN(C)c1cc(ccn1)C(=O)N1CCC[C@H](C1)C(=O)c1cnn(c1N)[*:1]
COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)c4ccnc(N(C)C)c4)C3)c2N)cc1 CN(C)c1cc(ccn1)[*:1] COc1ccc(cc1)-n1ncc(C(=O)[C@@H]2CCCN(C2)C(=O)[*:1])c1N
Cc1cccc(C)c1NC(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O Cc1cccc(C)c1[*:1] O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)N[*:1]
COCCOc1ncccc1C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 COC[*:1] c1cnc(OC[*:1])c(c1)C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2
COCCOc1ncccc1C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 COCC[*:1] c1cnc(O[*:1])c(c1)C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2
COCCOc1ncccc1C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 COCCO[*:1] c1cnc(c(c1)C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
CCC[C@@]1(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)NC(=O)N(CCc2ccccn2)C1=O CCC[*:1] O=C(c1ccc2OCOc2c1)N1CCC(CC1)[C@]1(NC(=O)N(CCc2ccccn2)C1=O)[*:1]
CCC[C@@]1(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)NC(=O)N(CCc2ccccn2)C1=O c1ccc(CC[*:1])nc1 CCC[C@]1(NC(=O)N(C1=O)[*:1])C1CCN(CC1)C(=O)c1ccc2OCOc2c1
CCC[C@@]1(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)NC(=O)N(CCc2ccccn2)C1=O c1ccc(nc1)[*:1] CCC[C@]1(NC(=O)N(CC[*:1])C1=O)C1CCN(CC1)C(=O)c1ccc2OCOc2c1
CCC[C@@]1(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)NC(=O)N(CCc2ccccn2)C1=O c1ccc(C[*:1])nc1 CCC[C@]1(NC(=O)N(C[*:1])C1=O)C1CCN(CC1)C(=O)c1ccc2OCOc2c1
CCC[C@@]1(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)NC(=O)N(CCc2ccccn2)C1=O c1cc2OCOc2cc1[*:1] CCC[C@]1(NC(=O)N(CCc2ccccn2)C1=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(NC(=O)Cc2c(C)[nH]n(-c3nc(C)c(C)s3)c2=O)cc1C Cc1nc(sc1C)[*:1] Cc1ccc(cc1C)NC(=O)Cc1c(C)[nH]n(c1=O)[*:1]
Cc1ccc(NC(=O)Cc2c(C)[nH]n(-c3nc(C)c(C)s3)c2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1nc(sc1C)-n1[nH]c(C)c(CC(=O)N[*:1])c1=O
COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C(/C)c1ccco1 COc1ccccc1[*:1] C/C(=N/NC(=O)CNC(=O)C=C[*:1])c1ccco1
COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C(/C)c1ccco1 c1coc(c1)[*:1] COc1ccccc1/C=C/C(=O)NCC(=O)NN=C(C)[*:1]
Cc1cccc(N2CCN(C(=O)c3cc4c(=O)[nH]c5ccccc5c4n3C)C[C@@H]2C)c1 Cc1cccc(c1)[*:1] C[C@H]1CN(CCN1[*:1])C(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C
Cc1ccc(NC(=O)c2sc3ncn(Cc4ccncc4)c(=O)c3c2C)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)NC(=O)c1sc2ncn(C[*:1])c(=O)c2c1C
Cc1ccc(NC(=O)c2sc3ncn(Cc4ccncc4)c(=O)c3c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(sc2ncn(Cc3ccncc3)c(=O)c12)C(=O)N[*:1]
Cc1ccc(NC(=O)c2sc3ncn(Cc4ccncc4)c(=O)c3c2C)cc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1)NC(=O)c1sc2ncn(c(=O)c2c1C)[*:1]
COc1cc(C(=O)N(Cc2ccccc2)C(C)(C)C)cc(OC)c1OC c1ccc(cc1)C[*:1] COc1cc(cc(OC)c1OC)C(=O)N(C(C)(C)C)[*:1]
COc1cc(C(=O)N(Cc2ccccc2)C(C)(C)C)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N(C[*:1])C(C)(C)C
COc1cc(C(=O)N(Cc2ccccc2)C(C)(C)C)cc(OC)c1OC CC(C)(C)[*:1] COc1cc(cc(OC)c1OC)C(=O)N(Cc1ccccc1)[*:1]
CCc1nn(C)c(NC[C@@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CCc1nn(C)c(NC[C@@H]2C[C@H]2[*:1])c1[N+](=O)[O-]
CCc1nn(C)c(NC[C@@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(NC[C@@H]2C[C@@H]2c2ccccc2)c1[*:1]
CCc1cc(C(=O)N(C)CCCS(C)(=O)=O)[nH]n1 CS(=O)(=O)[*:1] CCc1cc([nH]n1)C(=O)N(C)CCC[*:1]
CCc1cc(C(=O)N(C)CCCS(C)(=O)=O)[nH]n1 CS(=O)(=O)CC[*:1] CCc1cc([nH]n1)C(=O)N(C)C[*:1]
CCc1cc(C(=O)N(C)CCCS(C)(=O)=O)[nH]n1 CS(=O)(=O)C[*:1] CCc1cc([nH]n1)C(=O)N(C)CC[*:1]
Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 Cc1cccc(C)c1[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 Cc1cccc(C)c1O[*:1] C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1)[*:1]
Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CS[C@@H]1CCC[C@H](NC(=O)NCc2coc(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] CS[C@@H]1CCC[C@@H](C1)NC(=O)NCc1coc(n1)[*:1]
Cc1ccc(Nc2nc(Cl)nc(N)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)Nc1nc(Cl)nc(N)c1[*:1]
O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1cccnc1)N[*:1]
O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(Cl)cc1 c1cncc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc(Cl)cc1
CC(=O)N(c1nc(CSCc2ccccc2)cs1)c1ccccc1F c1ccc(cc1)CS[*:1] CC(=O)N(c1nc(cs1)C[*:1])c1ccccc1F
CC(=O)N(c1nc(CSCc2ccccc2)cs1)c1ccccc1F Fc1ccccc1[*:1] CC(=O)N(c1nc(cs1)CSCc1ccccc1)[*:1]
CC(=O)N(c1nc(CSCc2ccccc2)cs1)c1ccccc1F c1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)CSC[*:1])c1ccccc1F
CC(=O)N(c1nc(CSCc2ccccc2)cs1)c1ccccc1F c1ccc(cc1)C[*:1] CC(=O)N(c1nc(cs1)CS[*:1])c1ccccc1F
CC(C)Cn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc2ccc(Cl)cc2c1=O CC(C)C[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1[*:1]
CC(C)Cn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc2ccc(Cl)cc2c1=O CC(C)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1C[*:1]
O=C([O-])c1cccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c1 O=C([O-])[*:1] O=C([O-])c1cccc(c1)N1C(=O)c2ccc(cc2C1=O)[*:1]
O=C([O-])c1cccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c1 O=C([O-])[*:1] O=C([O-])c1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1)[*:1]
CCN(CCc1nccs1)C(=O)[C@@H]1OCC[C@H]1C c1csc(n1)[*:1] CCN(CC[*:1])C(=O)[C@@H]1OCC[C@H]1C
CCN(CCc1nccs1)C(=O)[C@@H]1OCC[C@H]1C c1csc(C[*:1])n1 CCN(C[*:1])C(=O)[C@@H]1OCC[C@H]1C
CCc1nnc(-c2ccc(NC(=O)C(=O)N3CCC(COC)CC3)cc2)o1 CCc1nnc(o1)[*:1] COCC1CCN(CC1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CCc1nnc(-c2ccc(NC(=O)C(=O)N3CCC(COC)CC3)cc2)o1 COC[*:1] CCc1nnc(o1)-c1ccc(cc1)NC(=O)C(=O)N1CCC(CC1)[*:1]
CCCN1C(=O)[C@](NC(=O)c2ccccc2C)(C(F)(F)F)N=C1C CCC[*:1] CC1=N[C@](NC(=O)c2ccccc2C)(C(=O)N1[*:1])C(F)(F)F
CCCN1C(=O)[C@](NC(=O)c2ccccc2C)(C(F)(F)F)N=C1C Cc1ccccc1[*:1] CCCN1C(=O)[C@](N=C1C)(NC(=O)[*:1])C(F)(F)F
CCCN1C(=O)[C@](NC(=O)c2ccccc2C)(C(F)(F)F)N=C1C FC(F)(F)[*:1] CCCN1C(=O)[C@@](N=C1C)(NC(=O)c1ccccc1C)[*:1]
C[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1cccc(Cl)c1 c1cncc(c1)[*:1] C[C@H](Sc1nnc(n1C)[*:1])C(=O)Nc1cccc(Cl)c1
C[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)N[*:1]
CC(C)COCCNC(=O)N[C@H]1CCCC[C@H]1CO CC(C)C[*:1] O=C(NCCO[*:1])N[C@H]1CCCC[C@H]1CO
CC(C)COCCNC(=O)N[C@H]1CCCC[C@H]1CO CC(C)CO[*:1] O=C(NCC[*:1])N[C@H]1CCCC[C@H]1CO
CC(C)COCCNC(=O)N[C@H]1CCCC[C@H]1CO CC(C)COC[*:1] O=C(NC[*:1])N[C@H]1CCCC[C@H]1CO
CC(C)COCCNC(=O)N[C@H]1CCCC[C@H]1CO CC(C)[*:1] O=C(NCCOC[*:1])N[C@H]1CCCC[C@H]1CO
CCCN(CC#N)Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O CCCN(CC#N)C[*:1] Cc1ccc(C)c(c1)-c1nn(c(=O)c2ccccc12)[*:1]
CCCN(CC#N)Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O N#CC[*:1] CCCN(Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O)[*:1]
CCCN(CC#N)Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O CCC[*:1] Cc1ccc(C)c(c1)-c1nn(CN(CC#N)[*:1])c(=O)c2ccccc12
CCCN(CC#N)Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O CCCN(CC#N)[*:1] Cc1ccc(C)c(c1)-c1nn(C[*:1])c(=O)c2ccccc12
CCCN(CC#N)Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O Cc1ccc(C)c(c1)[*:1] CCCN(CC#N)Cn1nc(c2ccccc2c1=O)[*:1]
COc1ccc(F)cc1NC(=O)NC[C@H](C)Cn1cccn1 c1cnn(c1)C[*:1] COc1ccc(F)cc1NC(=O)NC[C@H](C)[*:1]
COc1ccc(F)cc1NC(=O)NC[C@H](C)Cn1cccn1 c1cnn(c1)[*:1] COc1ccc(F)cc1NC(=O)NC[C@H](C)C[*:1]
C=C(C)C(=O)[C@H]1CCOc2ccccc21 C=C(C)[*:1] O=C([C@H]1CCOc2ccccc21)[*:1]
C=C(C)C(=O)[C@H]1CCOc2ccccc21 C=C(C)C(=O)[*:1] c1ccc2c(c1)OCC[C@@H]2[*:1]
CC(C)n1cc([C@@H](C)[NH2+]CCCC(=O)N2CCc3ccccc3C2)cn1 CC(C)[*:1] C[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc2C1)c1cnn(c1)[*:1]
CC(C)n1cc([C@@H](C)[NH2+]CCCC(=O)N2CCc3ccccc3C2)cn1 CC(C)n1cc(cn1)[*:1] C[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc2C1)[*:1]
CC(C)c1cc(-c2nn3c(Cc4ccccc4OC(F)(F)F)nnc3s2)n(C)n1 CC(C)c1cc(n(C)n1)[*:1] FC(F)(F)Oc1ccccc1Cc1nnc2sc(nn12)[*:1]
CC(C)c1cc(-c2nn3c(Cc4ccccc4OC(F)(F)F)nnc3s2)n(C)n1 CC(C)[*:1] Cn1nc(cc1-c1nn2c(Cc3ccccc3OC(F)(F)F)nnc2s1)[*:1]
CC(C)c1cc(-c2nn3c(Cc4ccccc4OC(F)(F)F)nnc3s2)n(C)n1 FC(F)(F)O[*:1] CC(C)c1cc(-c2nn3c(Cc4ccccc4[*:1])nnc3s2)n(C)n1
CC(C)c1cc(-c2nn3c(Cc4ccccc4OC(F)(F)F)nnc3s2)n(C)n1 FC(F)(F)[*:1] CC(C)c1cc(-c2nn3c(Cc4ccccc4O[*:1])nnc3s2)n(C)n1
CC/[NH+]=C(/NC[C@@H]1CCC[C@H]1O)N1CCC(C(=O)OC)CC1 COC(=O)[*:1] CC/[NH+]=C(/NC[C@@H]1CCC[C@H]1O)N1CCC(CC1)[*:1]
CC(C)(Cn1ccc(=O)nc1SCC(=O)[O-])S(C)(=O)=O O=C([O-])[*:1] CC(C)(Cn1ccc(=O)nc1SC[*:1])S(C)(=O)=O
CC(C)(Cn1ccc(=O)nc1SCC(=O)[O-])S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(Cn1ccc(=O)nc1SCC(=O)[O-])[*:1]
CC(C)(Cn1ccc(=O)nc1SCC(=O)[O-])S(C)(=O)=O O=C([O-])C[*:1] CC(C)(Cn1ccc(=O)nc1S[*:1])S(C)(=O)=O
CC(C)(Cn1ccc(=O)nc1SCC(=O)[O-])S(C)(=O)=O O=C([O-])CS[*:1] CC(C)(Cn1ccc(=O)nc1[*:1])S(C)(=O)=O
C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1nnc(Cc2ccccc2)o1 Fc1ccc(cc1)[*:1] C[C@@H](S(=O)(=O)Cc1nnc(Cc2ccccc2)o1)[*:1]
C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1nnc(Cc2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1nnc(C[*:1])o1
C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1nnc(Cc2ccccc2)o1 c1ccc(cc1)C[*:1] C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1nnc(o1)[*:1]
CCC1(CC)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O NC(=O)[*:1] CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2[*:1])C1=O
CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)c(C)s1 CC(=O)N[*:1] Cc1sc(nc1-c1ccc(Cl)c(Cl)c1)[*:1]
CC(=O)N1CCN(c2ccc(C(=O)Nc3nc(-c4c(F)cccc4F)cs3)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC(=O)N1CCN(CC1)c1ccc(cc1[*:1])C(=O)Nc1nc(cs1)-c1c(F)cccc1F
CC(=O)N1CCN(c2ccc(C(=O)Nc3nc(-c4c(F)cccc4F)cs3)cc2[N+](=O)[O-])CC1 CC(=O)N1CCN(CC1)[*:1] O=C(Nc1nc(cs1)-c1c(F)cccc1F)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC(=O)N1CCN(c2ccc(C(=O)Nc3nc(-c4c(F)cccc4F)cs3)cc2[N+](=O)[O-])CC1 Fc1cccc(F)c1[*:1] CC(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)Nc1nc(cs1)[*:1]
O=C(NCc1nnc2ccccn12)c1cc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(NCc1nnc2ccccn12)c1cc(cs1)[*:1]
COC(=O)c1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)NC[C@@H](C)C[NH+]1CCCCC1
CC(=O)N(c1nc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cs1)c1cccc(C)c1C O=C1CCCN1[*:1] CC(=O)N(c1nc(/C=C/C(=O)c2cccc(c2)[*:1])cs1)c1cccc(C)c1C
CC(=O)N(c1nc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cs1)c1cccc(C)c1C Cc1cccc(c1C)[*:1] CC(=O)N(c1nc(/C=C/C(=O)c2cccc(c2)N2CCCC2=O)cs1)[*:1]
Cc1csc(Nc2ccc(NC(=O)c3c(C)cc(C)[nH]c3=O)cc2)n1 Cc1csc(n1)N[*:1] Cc1cc(C)c(C(=O)Nc2ccc(cc2)[*:1])c(=O)[nH]1
Cc1csc(Nc2ccc(NC(=O)c3c(C)cc(C)[nH]c3=O)cc2)n1 Cc1csc(n1)[*:1] Cc1cc(C)c(C(=O)Nc2ccc(cc2)N[*:1])c(=O)[nH]1
O=C1CC[C@H](C(=O)N[C@H]2CCc3ccccc32)N1 O=C1CC[C@H](N1)[*:1] O=C(N[C@H]1CCc2ccccc21)[*:1]
CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(F)c(F)c3)nc12 Fc1ccc(cc1F)[*:1] CCOc1cccc2sc(nc12)N(Cc1ccccn1)C(=O)[*:1]
CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(F)c(F)c3)nc12 CCO[*:1] O=C(c1ccc(F)c(F)c1)N(Cc1ccccn1)c1nc2c(cccc2s1)[*:1]
CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(F)c(F)c3)nc12 c1ccc(C[*:1])nc1 CCOc1cccc2sc(nc12)N(C(=O)c1ccc(F)c(F)c1)[*:1]
CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(F)c(F)c3)nc12 c1ccc(nc1)[*:1] CCOc1cccc2sc(nc12)N(C[*:1])C(=O)c1ccc(F)c(F)c1
Cc1ccc(NC2=C(C(NC(=O)c3ccncc3)(C(F)(F)F)C(F)(F)F)C(=O)CC(C)(C)C2)cc1 Cc1ccc(cc1)[*:1] CC1(C)CC(=O)C(=C(C1)N[*:1])C(NC(=O)c1ccncc1)(C(F)(F)F)C(F)(F)F
Cc1ccc(NC2=C(C(NC(=O)c3ccncc3)(C(F)(F)F)C(F)(F)F)C(=O)CC(C)(C)C2)cc1 O=C(N[*:1])c1ccncc1 Cc1ccc(cc1)NC1CC(C)(C)CC(=O)C=1C(C(F)(F)F)(C(F)(F)F)[*:1]
Cc1ccc(NC2=C(C(NC(=O)c3ccncc3)(C(F)(F)F)C(F)(F)F)C(=O)CC(C)(C)C2)cc1 Cc1ccc(cc1)N[*:1] CC1(C)CC(=O)C(=C(C1)[*:1])C(NC(=O)c1ccncc1)(C(F)(F)F)C(F)(F)F
Cc1ccc(NC2=C(C(NC(=O)c3ccncc3)(C(F)(F)F)C(F)(F)F)C(=O)CC(C)(C)C2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC1CC(C)(C)CC(=O)C=1C(NC(=O)c1ccncc1)(C(F)(F)F)[*:1]
Cc1ccc(NC2=C(C(NC(=O)c3ccncc3)(C(F)(F)F)C(F)(F)F)C(=O)CC(C)(C)C2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)NC1CC(C)(C)CC(=O)C=1C(NC(=O)[*:1])(C(F)(F)F)C(F)(F)F
CCCNC(=O)NCC1(C)Cc2ccccc2C1 CCC[*:1] CC1(CNC(=O)N[*:1])Cc2ccccc2C1
CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1=O CCO[*:1] O=C(Nc1ccc2OCCOc2c1)[C@@H]1CC(=O)N(C1)c1ccccc1[*:1]
CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1=O CCOc1ccccc1[*:1] O=C(Nc1ccc2OCCOc2c1)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(C(=O)C2CCN(C(=O)N[C@@H]3CCCC3(C)C)CC2)cc1 COc1ccc(cc1)[*:1] CC1(C)CCC[C@H]1NC(=O)N1CCC(CC1)C(=O)[*:1]
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2ccc(Cl)c(Cl)c2)C1=O Clc1ccc(cc1Cl)[*:1] C[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc2CCCc2c1
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2ccc(Cl)c(Cl)c2)C1=O c1cc2CCCc2cc1[*:1] C[C@@]1(NC(=O)N(CC(=O)c2ccc(Cl)c(Cl)c2)C1=O)[*:1]
C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1)[*:1]
C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] C/C(=N\NC(=O)[C@H](C)O[*:1])c1ccccc1
Cc1noc(C)c1[C@@H](C)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)/C=C/c1ccc(cc1)C(F)(F)F)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)/C=C/c1ccc(cc1)[*:1]
Fc1ccccc1OCCCNc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] Fc1ccccc1OCCCNc1nnnn1[*:1]
Fc1ccccc1OCCCNc1nnnn1-c1ccccc1 Fc1ccccc1[*:1] c1ccc(cc1)-n1nnnc1NCCCO[*:1]
N#CCOc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1 O=S1(=O)CC[C@H](C1)[*:1] N#CCOc1ccc2[nH]cc(c2c1)[C@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
N#CCOc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1 N#CC[*:1] O=C([O-])[C@@H](c1c[nH]c2ccc(cc12)O[*:1])[NH+]1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
N#CCOc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1 N#CCO[*:1] O=C([O-])[C@@H](c1c[nH]c2ccc(cc12)[*:1])[NH+]1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
C[C@H](Cc1cccs1)NC(=O)CC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](Cc1cccs1)NC(=O)C[*:1]
C[C@H](Cc1cccs1)NC(=O)CC1CCCCC1 c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)CC1CCCCC1
C[C@H](Cc1cccs1)NC(=O)CC1CCCCC1 c1csc(c1)C[*:1] C[C@H](NC(=O)CC1CCCCC1)[*:1]
C[C@@H](C1CC1)n1nccc1NC(=O)c1cc(=O)[nH]c2cc(F)ccc12 C1CC1[*:1] C[C@@H](n1nccc1NC(=O)c1cc(=O)[nH]c2cc(F)ccc12)[*:1]
Cc1c(CC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])CC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
C[S@@](=O)c1ccc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1 C1CC1[*:1] C[S@@](=O)c1ccc(cc1)CN1CC[C@@H](C1)S(=O)(=O)N[*:1]
C[S@@](=O)c1ccc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1 C[S@@](=O)[*:1] O=S(=O)(NC1CC1)[C@H]1CCN(Cc2ccc(cc2)[*:1])C1
C[S@@](=O)c1ccc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)cc1 O=S(=O)(NC1CC1)[*:1] C[S@@](=O)c1ccc(cc1)CN1CC[C@H](C1)[*:1]
CCOc1ccccc1CNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 CCO[*:1] O=c1ccc2cc(ccc2[nH]1)S(=O)(=O)NCc1ccccc1[*:1]
COc1ccc(NC(=O)Nc2cccc(-c3noc(-c4cccs4)n3)c2)c(OC)c1 c1csc(c1)[*:1] COc1ccc(NC(=O)Nc2cccc(c2)-c2noc(n2)[*:1])c(c1)OC
COc1ccc(NC(=O)Nc2cccc(-c3noc(-c4cccs4)n3)c2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(Nc1cccc(c1)-c1noc(n1)-c1cccs1)N[*:1]
COc1ccc(NC(=O)Nc2cccc(-c3noc(-c4cccs4)n3)c2)c(OC)c1 c1csc(c1)-c1nc(no1)[*:1] COc1ccc(NC(=O)Nc2cccc(c2)[*:1])c(c1)OC
COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 COc1ccc(cc1)C(=O)[*:1] O=c1c2c3CCCc3sc2nc(SC[*:1])n1-c1ccccc1
COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)CSc1nc2sc3CCCc3c2c(=O)n1[*:1]
COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nc2sc3CCCc3c2c(=O)n1-c1ccccc1)[*:1]
CC(C)=CCC[C@H](C)C[NH+]1CCN(Cc2ncccc2C)CC1 Cc1cccnc1[*:1] CC(C)=CCC[C@H](C)C[NH+]1CCN(CC1)C[*:1]
CC(C)=CCC[C@H](C)C[NH+]1CCN(Cc2ncccc2C)CC1 CC(C)=CCC[*:1] Cc1cccnc1CN1CC[NH+](CC1)C[C@@H](C)[*:1]
CC(C)=CCC[C@H](C)C[NH+]1CCN(Cc2ncccc2C)CC1 CC(C)=CC[*:1] Cc1cccnc1CN1CC[NH+](CC1)C[C@@H](C)C[*:1]
CC(C)=CCC[C@H](C)C[NH+]1CCN(Cc2ncccc2C)CC1 CC(C)=C[*:1] Cc1cccnc1CN1CC[NH+](CC1)C[C@@H](C)CC[*:1]
O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NC1(CCOCC1)c1ccc(F)cc1F)[*:1]
O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1cccc(F)c1 Fc1ccc(c(F)c1)[*:1] O=C(NC1(CCOCC1)[*:1])c1cccc(F)c1
O=[N+]([O-])c1ccc(N/N=C/c2cccc(O)c2)c([N+](=O)[O-])c1 Oc1cccc(c1)[*:1] O=[N+]([O-])c1ccc(NN=C[*:1])c(c1)[N+](=O)[O-]
O=[N+]([O-])c1ccc(N/N=C/c2cccc(O)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(N/N=C/c2cccc(O)c2)c(c1)[*:1]
O=[N+]([O-])c1ccc(N/N=C/c2cccc(O)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1N/N=C/c1cccc(O)c1)[*:1]
CCOC(=O)c1cn(C)nc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 CCOC(=O)[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)Nc1nn(C)cc1[*:1]
CCOC(=O)c1cn(C)nc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 CCOC(=O)c1cn(C)nc1NC(=O)c1ccc(C)c(c1)[*:1]
CCOC(=O)c1cn(C)nc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] CCOC(=O)c1cn(C)nc1NC(=O)c1ccc(C)c(c1)NC(=O)[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCC(N)=O)cc1 NC(=O)C[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)O[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCC(N)=O)cc1 NC(=O)[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)OC[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCC(N)=O)cc1 NC(=O)CO[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1-n1nc(C(=O)OCCOC(C)C)c2c1CCC2 CC(C)[*:1] Cc1ccccc1-n1nc(C(=O)OCCO[*:1])c2CCCc21
Cc1ccccc1-n1nc(C(=O)OCCOC(C)C)c2c1CCC2 CC(C)OC[*:1] Cc1ccccc1-n1nc(C(=O)OC[*:1])c2CCCc21
Cc1ccccc1-n1nc(C(=O)OCCOC(C)C)c2c1CCC2 CC(C)OCC[*:1] Cc1ccccc1-n1nc(C(=O)O[*:1])c2CCCc21
Cc1ccccc1-n1nc(C(=O)OCCOC(C)C)c2c1CCC2 CC(C)O[*:1] Cc1ccccc1-n1nc(C(=O)OCC[*:1])c2CCCc21
Cc1ccccc1-n1nc(C(=O)OCCOC(C)C)c2c1CCC2 Cc1ccccc1[*:1] CC(C)OCCOC(=O)c1nn(c2CCCc12)[*:1]
Cc1cc(C(F)F)nc2c1C1=NC(c3cc(Br)cs3)=NC(=O)[C@H]1S2 FC(F)[*:1] Cc1cc(nc2S[C@@H]3C(=O)N=C(N=C3c12)c1cc(Br)cs1)[*:1]
Cc1cc(C(F)F)nc2c1C1=NC(c3cc(Br)cs3)=NC(=O)[C@H]1S2 Brc1csc(c1)[*:1] Cc1cc(nc2S[C@@H]3C(=O)N=C(N=C3c12)[*:1])C(F)F
CCNS(=O)(=O)[C@H]1CCN(Cn2cc(C)n(-c3cc(C)on3)c2=O)C1 CCNS(=O)(=O)[*:1] Cc1cc(no1)-n1c(C)cn(CN2CC[C@@H](C2)[*:1])c1=O
CCNS(=O)(=O)[C@H]1CCN(Cn2cc(C)n(-c3cc(C)on3)c2=O)C1 Cc1cc(no1)[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)Cn1cc(C)n(c1=O)[*:1]
O=C(COc1ccccc1)/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21 c1ccc(cc1)[*:1] O=C(CO[*:1])/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21
O=C(COc1ccccc1)/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21 c1ccc(cc1)O[*:1] O=C(C[*:1])/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21
O=C(COc1ccccc1)/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21 c1ccc(cc1)OC[*:1] O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)[*:1]
CC[NH2+][C@@H](Cc1cccs1)[C@]1(N(C)C)CCC[C@H](C)C1 c1csc(c1)[*:1] CC[NH2+][C@@H](C[*:1])[C@@]1(CCC[C@H](C)C1)N(C)C
CC[NH2+][C@@H](Cc1cccs1)[C@]1(N(C)C)CCC[C@H](C)C1 CN(C)[*:1] CC[NH2+][C@@H](Cc1cccs1)[C@@]1(CCC[C@H](C)C1)[*:1]
CC[NH2+][C@@H](Cc1cccs1)[C@]1(N(C)C)CCC[C@H](C)C1 c1csc(c1)C[*:1] CC[NH2+][C@@H]([C@@]1(CCC[C@H](C)C1)N(C)C)[*:1]
CCNC(=O)[C@@H](C)NC(=O)N[C@@](C)(CC)C(=O)[O-] CCNC(=O)[*:1] CC[C@](C)(NC(=O)N[C@H](C)[*:1])C(=O)[O-]
CCNC(=O)[C@@H](C)NC(=O)N[C@@](C)(CC)C(=O)[O-] O=C([O-])[*:1] CCNC(=O)[C@@H](C)NC(=O)N[C@@](C)(CC)[*:1]
CC(C)CCC[C@H](C)NC(=O)[C@H]1CC[NH2+][C@H]1C CC(C)[*:1] C[C@@H](CCC[*:1])NC(=O)[C@H]1CC[NH2+][C@H]1C
CC(C)CCC[C@H](C)NC(=O)[C@H]1CC[NH2+][C@H]1C CC(C)C[*:1] C[C@@H](CC[*:1])NC(=O)[C@H]1CC[NH2+][C@H]1C
CC(C)CCC[C@H](C)NC(=O)[C@H]1CC[NH2+][C@H]1C CC(C)CC[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1CC[NH2+][C@H]1C
Cc1ccc2cccc(NC(=O)[C@@H](C)SCc3nc4scc(-c5ccccc5)c4c(=O)[nH]3)c2n1 c1ccc(cc1)[*:1] Cc1ccc2cccc(NC(=O)[C@@H](C)SCc3nc4scc(c4c(=O)[nH]3)[*:1])c2n1
Cc1ccc2cccc(NC(=O)[C@@H](C)SCc3nc4scc(-c5ccccc5)c4c(=O)[nH]3)c2n1 Cc1ccc2cccc(c2n1)[*:1] C[C@@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)N[*:1]
Cc1c(-c2csc(NC(=O)[C@@H](C)n3c(C(C)C)nc4ccccc43)n2)cnn1C CC(C)[*:1] Cc1c(cnn1C)-c1csc(n1)NC(=O)[C@@H](C)n1c(nc2ccccc21)[*:1]
Cc1c(-c2csc(NC(=O)[C@@H](C)n3c(C(C)C)nc4ccccc43)n2)cnn1C Cc1c(cnn1C)[*:1] CC(C)c1nc2ccccc2n1[C@H](C)C(=O)Nc1nc(cs1)[*:1]
Cc1ccc(CC(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)s1 Cc1ccc(s1)[*:1] O=C(C[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
Cc1ccc(CC(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)s1 Cc1ccc(C[*:1])s1 O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CC(C)NC(=O)C[NH+](C)Cc1nc2ccc(N)cc2o1 CC(C)NC(=O)[*:1] C[NH+](Cc1nc2ccc(N)cc2o1)C[*:1]
CC(C)NC(=O)C[NH+](C)Cc1nc2ccc(N)cc2o1 CC(C)[*:1] C[NH+](CC(=O)N[*:1])Cc1nc2ccc(N)cc2o1
CN(C)c1ccc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)c(F)c1 CN(C)[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)c1ccc(cc1F)[*:1]
CN(C)c1ccc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)c(F)c1 FC(F)O[*:1] CN(C)c1ccc(C(=O)NC[C@H](O)c2cccc(c2)[*:1])c(F)c1
CN(C)c1ccc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)c(F)c1 FC(F)[*:1] CN(C)c1ccc(C(=O)NC[C@H](O)c2cccc(c2)O[*:1])c(F)c1
O=c1[nH]nc(CCNc2ccc3cc(Br)ccc3n2)[nH]1 O=c1[nH]nc([nH]1)[*:1] Brc1ccc2nc(ccc2c1)NCC[*:1]
COC(=O)C(C)(C)NC(=O)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)C(=O)NC(C)(C)[*:1]
O=C1CN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCN1C1CC1 C1CC1[*:1] O=C1CN(CCN1[*:1])C[C@@H]1CC(=NO1)c1ccc(Cl)cc1
O=C1CN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCN1C1CC1 Clc1ccc(cc1)[*:1] O=C1CN(CCN1C1CC1)C[C@@H]1CC(=NO1)[*:1]
O=C(COc1cccc2c1NC(=O)CO2)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C1COc2cccc(OCC(=O)N[*:1])c2N1
CC(=O)NCCCN(C)C(=O)Cc1ccc(F)cc1F CC(=O)N[*:1] CN(CCC[*:1])C(=O)Cc1ccc(F)cc1F
CC(=O)NCCCN(C)C(=O)Cc1ccc(F)cc1F CC(=O)NCC[*:1] CN(C[*:1])C(=O)Cc1ccc(F)cc1F
CC(=O)NCCCN(C)C(=O)Cc1ccc(F)cc1F CC(=O)NC[*:1] CN(CC[*:1])C(=O)Cc1ccc(F)cc1F
O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCc1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C(CSc1nc2ccc(cc2s1)[*:1])NCCc1ccc(Cl)cc1
O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CSc1nc2ccc(cc2s1)[N+](=O)[O-])NC[*:1]
O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nc2ccc(cc2s1)[N+](=O)[O-])NCC[*:1]
CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)sc2c1CCCC2 CCOC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1sc2CCCCc2c1[*:1]
CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)sc2c1CCCC2 Cc1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)[*:1])sc2CCCCc21
SC[C@H](C[NH+]1CCCCCCC1)c1ccccc1 c1ccc(cc1)[*:1] SC[C@H](C[NH+]1CCCCCCC1)[*:1]
COc1ccc(OC)c(NC(=O)[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@@H]1CC(=NO1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c(c1)OC[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)CO[*:1] Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c(c1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c(c1)O[*:1]
Cc1c(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cccc1C(N)=O Clc1ccc(cc1Cl)[*:1] Cc1c(cccc1C(N)=O)NC(=O)C(=O)N[C@H](C)[*:1]
Cc1c(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1
CN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CN(Cc1ccc(Br)cc1)C(=O)N[*:1]
N#CC[C@@H]1C[NH2+][C@H](C(=O)[O-])C1 O=C([O-])[*:1] N#CC[C@@H]1C[NH2+][C@H](C1)[*:1]
N#CC[C@@H]1C[NH2+][C@H](C(=O)[O-])C1 N#CC[*:1] O=C([O-])[C@@H]1C[C@@H](C[NH2+]1)[*:1]
COc1ncccc1C(=O)Nc1cnn(CC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] COc1ncccc1C(=O)Nc1cnn(c1)[*:1]
COc1ncccc1C(=O)Nc1cnn(CC(=O)N(C)C)c1 CN(C)C(=O)[*:1] COc1ncccc1C(=O)Nc1cnn(c1)C[*:1]
CC(C)[NH+](Cc1cc(F)ccc1Br)C1CCOCC1 C1CC(CCO1)[*:1] CC(C)[NH+](Cc1cc(F)ccc1Br)[*:1]
CC(C)[NH+](Cc1cc(F)ccc1Br)C1CCOCC1 CC(C)[*:1] Fc1ccc(Br)c(c1)C[NH+](C1CCOCC1)[*:1]
CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2csc(C(C)C)n2)cc1 CC(C)c1nc(cs1)[*:1] CCS(=O)(=O)c1ccc(cc1)[C@@H](C)N[C@@H](C)[*:1]
CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2csc(C(C)C)n2)cc1 CC(C)[*:1] CCS(=O)(=O)c1ccc(cc1)[C@@H](C)N[C@@H](C)c1csc(n1)[*:1]
CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2csc(C(C)C)n2)cc1 CCS(=O)(=O)[*:1] CC(C)c1nc(cs1)[C@H](C)N[C@H](C)c1ccc(cc1)[*:1]
COc1cc(OC)c2c(c1/C=C\C(C)(C)O)O[C@H](c1ccccc1)CC2=O CC(C)(O)C=C[*:1] COc1cc(OC)c(c2O[C@@H](CC(=O)c12)c1ccccc1)[*:1]
COc1cc(OC)c2c(c1/C=C\C(C)(C)O)O[C@H](c1ccccc1)CC2=O CC(C)(O)[*:1] COc1cc(OC)c2C(=O)C[C@H](Oc2c1C=C[*:1])c1ccccc1
COc1cc(OC)c2c(c1/C=C\C(C)(C)O)O[C@H](c1ccccc1)CC2=O c1ccc(cc1)[*:1] COc1cc(OC)c2C(=O)C[C@@H](Oc2c1/C=C\C(C)(C)O)[*:1]
Cc1ccccc1-c1nnn(CCn2cnc3ccsc3c2=O)n1 Cc1ccccc1[*:1] O=c1c2sccc2ncn1CCn1nnc(n1)[*:1]
O=C(CCc1cccnc1)Nc1ccccc1-n1cncn1 c1cncc(c1)C[*:1] O=C(C[*:1])Nc1ccccc1-n1cncn1
O=C(CCc1cccnc1)Nc1ccccc1-n1cncn1 c1ncn(n1)[*:1] O=C(CCc1cccnc1)Nc1ccccc1[*:1]
O=C(CCc1cccnc1)Nc1ccccc1-n1cncn1 c1cncc(c1)[*:1] O=C(CC[*:1])Nc1ccccc1-n1cncn1
CO[C@@H]1CCCC[C@H]1NC(=O)NCc1ncoc1C Cc1ocnc1[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)NC[*:1]
COc1ccc(/C=C/C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C=C[*:1])N1CCN(CC1)c1ccc(cc1)-c1noc(n1)C1CC1
COc1ccc(/C=C/C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1OC C1CC1[*:1] COc1ccc(/C=C/C(=O)N2CCN(CC2)c2ccc(cc2)-c2noc(n2)[*:1])cc1OC
COc1ccc(/C=C/C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1OC C1CC1c1nc(no1)[*:1] COc1ccc(/C=C/C(=O)N2CCN(CC2)c2ccc(cc2)[*:1])cc1OC
CCC(=O)c1cccc(NC(=O)NCc2ccnc(OC(C)(C)C)c2)c1 CC(C)(C)[*:1] CCC(=O)c1cccc(c1)NC(=O)NCc1ccnc(c1)O[*:1]
CCC(=O)c1cccc(NC(=O)NCc2ccnc(OC(C)(C)C)c2)c1 CC(C)(C)O[*:1] CCC(=O)c1cccc(c1)NC(=O)NCc1ccnc(c1)[*:1]
CCC(=O)c1cccc(NC(=O)NCc2ccnc(OC(C)(C)C)c2)c1 CCC(=O)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)Nc1cccc(c1)[*:1]
CCOC(=O)C1(C)CCN(S(=O)(=O)c2cc(C)c(F)cc2F)CC1 CCOC(=O)[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)N1CCC(C)(CC1)[*:1]
O=C([O-])c1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)N1[*:1])[NH+]1CCN(CC1)c1ccc(Cl)cc1
O=C([O-])c1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 O=C([O-])[*:1] O=C1C[C@@H](C(=O)N1c1ccc(cc1)[*:1])[NH+]1CCN(CC1)c1ccc(Cl)cc1
O=C([O-])c1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 Clc1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)N1C(=O)C[C@@H](C1=O)[NH+]1CCN(CC1)[*:1]
Cc1noc(C)c1-c1n[nH]c2c1CN(Cc1nc3cccnc3n1C)CC2 Cc1noc(C)c1[*:1] Cn1c(CN2CCc3[nH]nc(c3C2)[*:1])nc2cccnc21
CNC(=O)c1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] CNC(=O)c1ccc(cc1)NC(=O)[*:1]
CNC(=O)c1ccc(NC(=O)C(C)C)cc1 CNC(=O)[*:1] CC(C)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C(=O)NNC(=O)CC2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)C(=O)NNC(=O)C[*:1]
COc1ccc(C(=O)NNC(=O)CC2CCCCC2)cc1 C1CCC(CC1)C[*:1] COc1ccc(cc1)C(=O)NNC(=O)[*:1]
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(Cc3cccc(C)c3)c2=O)CN(C(C)=O)CC4)c1 Cc1cccc(c1)C[*:1] CC(=O)c1cccc(c1)-n1c(=O)c2c3CCN(Cc3sc2n(c1=O)[*:1])C(C)=O
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(Cc3cccc(C)c3)c2=O)CN(C(C)=O)CC4)c1 CC(=O)c1cccc(c1)[*:1] CC(=O)N1CCc2c(C1)sc1c2c(=O)n(c(=O)n1Cc1cccc(C)c1)[*:1]
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(Cc3cccc(C)c3)c2=O)CN(C(C)=O)CC4)c1 CC(=O)[*:1] CC(=O)N1CCc2c(C1)sc1c2c(=O)n(-c2cccc(c2)[*:1])c(=O)n1Cc1cccc(C)c1
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(Cc3cccc(C)c3)c2=O)CN(C(C)=O)CC4)c1 Cc1cccc(c1)[*:1] CC(=O)c1cccc(c1)-n1c(=O)c2c3CCN(Cc3sc2n(C[*:1])c1=O)C(C)=O
C[C@H](Sc1ccc(Cl)cc1)C(=O)OCC(N)=O NC(=O)C[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)O[*:1]
C[C@H](Sc1ccc(Cl)cc1)C(=O)OCC(N)=O NC(=O)[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)OC[*:1]
C[C@H](Sc1ccc(F)c(F)c1)C(=O)NCCc1c[nH]c2ccccc12 Fc1ccc(cc1F)[*:1] C[C@H](S[*:1])C(=O)NCCc1c[nH]c2ccccc12
N#Cc1c([O-])nc(SCc2nc3ccccc3c(=O)[nH]2)nc1-c1ccccc1 c1ccc(cc1)[*:1] N#Cc1c([O-])nc(nc1[*:1])SCc1nc2ccccc2c(=O)[nH]1
CCNC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 CCNC(=O)N[*:1] Cc1cccc(c1)N1CC[NH+](CCCC[*:1])CC1
CCNC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CCNC(=O)NCCCC[NH+]1CCN(CC1)[*:1]
CCNC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 CCNC(=O)NC[*:1] Cc1cccc(c1)N1CC[NH+](CCC[*:1])CC1
COC(C)(C)[C@H](O)CCC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COC(C)(C)[C@H](O)CCC[*:1]
COC(C)(C)[C@H](O)CCC[C@H]1CCCO1 COC(C)(C)[*:1] O[C@H](CCC[C@H]1CCCO1)[*:1]
CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@H]1COc2ccc(F)cc2C1 CC(C)C[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)[C@H]1COc2ccc(F)cc2C1
CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@H]1COc2ccc(F)cc2C1 CC(C)CNC(=O)[*:1] O=C([C@H]1COc2ccc(F)cc2C1)N1CSC[C@@H]1[*:1]
CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@H]1COc2ccc(F)cc2C1 CC(C)[*:1] O=C(NC[*:1])[C@H]1CSCN1C(=O)[C@H]1COc2ccc(F)cc2C1
CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccncc2)c1 CCO[*:1] O=C(NNC(=S)NC(=O)c1cccc(c1)[*:1])c1ccncc1
CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccncc2)c1 c1cc(ccn1)[*:1] CCOc1cccc(c1)C(=O)NC(=S)NNC(=O)[*:1]
COC[C@](C)(O)CNC(=O)Nc1ccccc1OC COC[*:1] COc1ccccc1NC(=O)NC[C@](C)(O)[*:1]
CC[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1 CC[C@@H](C)[*:1] Cc1ccc(cc1O)C(=O)N(C)[*:1]
Cc1ccc(C(=O)NCC2(c3ccc(F)cc3F)CC2)nc1 Cc1ccc(nc1)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1F)[*:1]
Cc1ccc(CNc2nccnc2C#N)c(OC[C@@H]2CCOC2)c1 N#Cc1nccnc1[*:1] Cc1ccc(CN[*:1])c(c1)OC[C@@H]1CCOC1
Cc1ccc(CNc2nccnc2C#N)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)CO[*:1] Cc1ccc(CNc2nccnc2C#N)c(c1)[*:1]
C[C@@H]1CCN(c2cncc(C(=O)[O-])n2)[C@H](C)C1 O=C([O-])[*:1] C[C@@H]1CCN(c2cncc(n2)[*:1])[C@H](C)C1
Cc1ccc([C@@H](N)C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H](N)[*:1]
COc1cc(C[NH2+]C(C)C)ccc1OCc1c[nH+]cn1C CC(C)[NH2+]C[*:1] COc1cc(ccc1OCc1c[nH+]cn1C)[*:1]
COc1cc(C[NH2+]C(C)C)ccc1OCc1c[nH+]cn1C CC(C)[*:1] COc1cc(ccc1OCc1c[nH+]cn1C)C[NH2+][*:1]
CN(C)c1ccc(NC(=O)CCS(C)(=O)=O)cn1 CN(C)[*:1] CS(=O)(=O)CCC(=O)Nc1ccc(nc1)[*:1]
CN(C)c1ccc(NC(=O)CCS(C)(=O)=O)cn1 CS(=O)(=O)C[*:1] CN(C)c1ccc(cn1)NC(=O)C[*:1]
CN(C)c1ccc(NC(=O)CCS(C)(=O)=O)cn1 CS(=O)(=O)CC[*:1] CN(C)c1ccc(cn1)NC(=O)[*:1]
CN(C)c1ccc(NC(=O)CCS(C)(=O)=O)cn1 CS(=O)(=O)[*:1] CN(C)c1ccc(cn1)NC(=O)CC[*:1]
O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 c1cnn(c1)[*:1] O=C(Nc1ccccc1F)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
O=C(Nc1ccccc1F)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 Fc1ccccc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1cccn1
C[C@@H](O)CCC(=O)N[C@H](C)c1ccsc1 C[C@@H](O)[*:1] C[C@@H](NC(=O)CC[*:1])c1ccsc1
C[C@@H](O)CCC(=O)N[C@H](C)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](O)CCC(=O)N[C@H](C)[*:1]
C[C@@H](O)CCC(=O)N[C@H](C)c1ccsc1 C[C@@H](O)CC[*:1] C[C@@H](NC(=O)[*:1])c1ccsc1
C[C@@H](O)CCC(=O)N[C@H](C)c1ccsc1 C[C@@H](O)C[*:1] C[C@@H](NC(=O)C[*:1])c1ccsc1
CN1CCO[C@@H]([C@H](NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CN1CCO[C@H](C1)[C@H](NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CN1CCO[C@@H]([C@H](NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c2ccc(Cl)cc2)C1 CN1CCO[C@@H](C1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@]2(CN(C)C(=O)O2)C1 CC(C)C[*:1] CCn1nc(cc1C(=O)N1CCC[C@]2(CN(C)C(=O)O2)C1)[*:1]
CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@]2(CN(C)C(=O)O2)C1 CC(C)[*:1] CCn1nc(cc1C(=O)N1CCC[C@]2(CN(C)C(=O)O2)C1)C[*:1]
CCCCN(C[C@@H]1C=c2ccccc2=[NH+]C1=O)C(=O)c1ccncc1 c1cc(ccn1)[*:1] CCCCN(C[C@@H]1C=c2ccccc2=[NH+]C1=O)C(=O)[*:1]
CCCCN(C[C@@H]1C=c2ccccc2=[NH+]C1=O)C(=O)c1ccncc1 CCCC[*:1] O=C1[NH+]=c2ccccc2=C[C@H]1CN(C(=O)c1ccncc1)[*:1]
CCCCN(C[C@@H]1C=c2ccccc2=[NH+]C1=O)C(=O)c1ccncc1 CCC[*:1] O=C1[NH+]=c2ccccc2=C[C@H]1CN(C[*:1])C(=O)c1ccncc1
CCCc1cc(N2CCN(c3ccc(C#N)cn3)CC2)n2nccc2n1 CCC[*:1] N#Cc1ccc(nc1)N1CCN(CC1)c1cc(nc2ccnn12)[*:1]
CCCc1cc(N2CCN(c3ccc(C#N)cn3)CC2)n2nccc2n1 N#Cc1ccc(nc1)[*:1] CCCc1cc(N2CCN(CC2)[*:1])n2nccc2n1
CS/C(=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)OC(C)C c1ccc(cc1)[*:1] CS/C(=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)[*:1])OC(C)C
CS/C(=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)OC(C)C CC(C)[*:1] CS/C(=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)O[*:1]
CS/C(=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)OC(C)C Clc1ccc(cc1)[*:1] CS/C(=N/C(=N/S(=O)(=O)[*:1])c1ccccc1)OC(C)C
Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)cs1 CC(C)(C)[*:1] Cc1nc(cs1)[C@@H](C)[NH2+]CC1CCN(CC1)C(=O)O[*:1]
Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)cs1 Cc1nc(cs1)[*:1] C[C@@H]([NH2+]CC1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
CCN(C(=O)Cc1ccc(-n2cccc2)cc1)c1nc2ccccc2s1 c1ccn(c1)[*:1] CCN(C(=O)Cc1ccc(cc1)[*:1])c1nc2ccccc2s1
COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)n(C)n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1CCCN1C(=O)c1cc(nn1C)[*:1]
COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)n(C)n2)cc1 COc1ccc(cc1OC)[*:1] COc1ccc(cc1)-c1cc(C(=O)N2CCC[C@@H]2[*:1])n(C)n1
COc1ccc(C(=O)OCC(=O)Nc2ccnn2C(C)C)cn1 CC(C)[*:1] COc1ccc(cn1)C(=O)OCC(=O)Nc1ccnn1[*:1]
C[C@H](C(=O)Oc1ccc(NC(=O)c2cccs2)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)Oc1ccc(cc1)NC(=O)c1cccs1)[*:1]
C[C@H](C(=O)Oc1ccc(NC(=O)c2cccs2)cc1)c1ccsc1 c1csc(c1)[*:1] C[C@H](C(=O)Oc1ccc(cc1)NC(=O)[*:1])c1ccsc1
C[C@H](C(=O)Oc1ccc(NC(=O)c2cccs2)cc1)c1ccsc1 O=C(N[*:1])c1cccs1 C[C@H](C(=O)Oc1ccc(cc1)[*:1])c1ccsc1
CCOC(=O)c1cc(NC(=O)c2cc3ccccn3c2)c[nH]1 CCOC(=O)[*:1] O=C(Nc1c[nH]c(c1)[*:1])c1cc2ccccn2c1
CNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(SC)cc2)cc1 CSc1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(cc1)NC(=O)C=C[*:1]
CNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(SC)cc2)cc1 CNS(=O)(=O)[*:1] CSc1ccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])cc1
COc1ccc(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)cc1O FC(F)(F)[*:1] COc1ccc(cc1O)C(=O)N[C@](C)(C(=O)[O-])[*:1]
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 C=CC[*:1] O=C(C[C@H]1S/C(=N\c2ccc(F)cc2)N(C1=O)[*:1])Nc1ccc(F)cc1
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=N[*:1]
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCN1C(=O)[C@@H](CC(=O)N[*:1])S/C1=N\c1ccc(F)cc1
CC[C@@H](NC(=O)N(C)[C@H]1CCC[C@H](C)C1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NC(=O)N(C)[C@H]1CCC[C@H](C)C1)c1nc(cs1)[*:1]
CC[C@@H](NC(=O)N(C)[C@H]1CCC[C@H](C)C1)c1nc(C(F)(F)F)cs1 C[C@H]1CCC[C@@H](C1)[*:1] CC[C@@H](NC(=O)N(C)[*:1])c1nc(cs1)C(F)(F)F
N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1C(=O)Nc2nc(N[*:1])[nH]c(=O)c2[C@@H]1c1ccccc1
N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1[*:1]
N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccccc1 c1ccc(cc1)N[*:1] N#C[C@@H]1C(=O)Nc2nc([nH]c(=O)c2[C@@H]1c1ccccc1)[*:1]
O=C(Nc1ccccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccco1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)NC[C@@H](N1CCOCC1)[*:1])c1ccco1
O=C(Nc1ccccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccco1 C1CN(CCO1)[*:1] O=C(Nc1ccccc1C(=O)NC[C@@H](c1ccc(F)cc1)[*:1])c1ccco1
O=C(Nc1ccccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccco1 c1coc(c1)[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1NC(=O)[*:1]
O=C(Nc1ccccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1[*:1]
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc4nc(C)sc4c3)o2)cc1 CC(=O)[*:1] Cc1nc2ccc(cc2s1)NC(=O)c1ccc(o1)-c1ccc(cc1)[*:1]
CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc4nc(C)sc4c3)o2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1nc2ccc(cc2s1)NC(=O)c1ccc(o1)[*:1]
O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc(Cl)ccn1 Clc1ccnc(c1)[*:1] O=C(Nc1nc(cs1)-c1ccccc1Cl)[*:1]
O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc(Cl)ccn1 Clc1ccccc1[*:1] O=C(Nc1nc(cs1)[*:1])c1cc(Cl)ccn1
COCc1cccc(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COCc1cccc(c1)NC(=O)N(C)[C@@H](C)C[*:1]
COCc1cccc(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c1 COC[*:1] C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(c1)[*:1]
COCc1cccc(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)C[*:1] COCc1cccc(c1)NC(=O)N(C)[C@@H](C)[*:1]
CS(=O)(=O)Cc1ccc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 CS(=O)(=O)[*:1] O=C(NC1CCC(CC1)[NH+]1CCCCC1)c1ccc(cc1)C[*:1]
CS(=O)(=O)Cc1ccc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 CS(=O)(=O)C[*:1] O=C(NC1CCC(CC1)[NH+]1CCCCC1)c1ccc(cc1)[*:1]
Cc1cc(NC(=O)CC2CCCC2)n(-c2nc([O-])c3cnn(-c4ccc(F)cc4)c3n2)n1 Fc1ccc(cc1)[*:1] Cc1cc(NC(=O)CC2CCCC2)n(n1)-c1nc([O-])c2cnn(c2n1)[*:1]
Cc1cc(NC(=O)CC2CCCC2)n(-c2nc([O-])c3cnn(-c4ccc(F)cc4)c3n2)n1 C1CCC(C1)C[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc([O-])c2cnn(-c3ccc(F)cc3)c2n1
Cc1cc(NC(=O)CC2CCCC2)n(-c2nc([O-])c3cnn(-c4ccc(F)cc4)c3n2)n1 C1CCC(C1)[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1nc([O-])c2cnn(-c3ccc(F)cc3)c2n1
Cc1cc(NC(=O)CC2CCCC2)n(-c2nc([O-])c3cnn(-c4ccc(F)cc4)c3n2)n1 O=C(CC1CCCC1)N[*:1] Cc1cc(n(n1)-c1nc([O-])c2cnn(-c3ccc(F)cc3)c2n1)[*:1]
Cc1ccc(-c2noc([C@@H](C)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)n2)cc1F FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(cc1F)-c1noc(n1)[C@@H](C)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(-c2noc([C@@H](C)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)n2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](c1nc(no1)[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Cc1ccc(-c2noc([C@@H](C)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)n2)cc1F FC(F)(F)[*:1] Cc1ccc(cc1F)-c1noc(n1)[C@@H](C)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCOc3ccccc32)c1 CS(=O)(=O)[*:1] O=S(=O)(c1cc(ccc1Br)[*:1])N1CCOc2ccccc21
O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 Clc1ccc(cc1)C[*:1] O=C1Nc2ccccc2Oc2ccc(cc21)NC(=O)[*:1]
O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 Clc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc2Oc3ccccc3NC(=O)c2c1
O=C(NCc1ccc2ncccc2c1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 C1CCCC(CC1)[*:1] O=C(NCc1ccc2ncccc2c1)[C@H]1CCC(=O)N(C1)[*:1]
CCOC(=O)N1CCc2nn(CC(=O)N(CC)c3ccccc3)c(=O)cc2C1 c1ccc(cc1)[*:1] CCOC(=O)N1CCc2nn(CC(=O)N(CC)[*:1])c(=O)cc2C1
CCN(/C=C/c1nnnn1-c1ccc(I)cc1)CC CCN(CC)[*:1] Ic1ccc(cc1)-n1nnnc1C=C[*:1]
C=C(C)CN(CC)C(=O)c1cc2ccccc2oc1=O C=C(C)C[*:1] CCN(C(=O)c1cc2ccccc2oc1=O)[*:1]
C=C(C)CN(CC)C(=O)c1cc2ccccc2oc1=O C=C(C)[*:1] CCN(C[*:1])C(=O)c1cc2ccccc2oc1=O
COCCCC[S@](=O)[C@H](C)c1ccc(Cl)cc1Cl COCC[*:1] C[C@H](c1ccc(Cl)cc1Cl)[S@@](=O)CC[*:1]
COCCCC[S@](=O)[C@H](C)c1ccc(Cl)cc1Cl COC[*:1] C[C@H](c1ccc(Cl)cc1Cl)[S@@](=O)CCC[*:1]
COCCCC[S@](=O)[C@H](C)c1ccc(Cl)cc1Cl COCCCC[*:1] C[C@H](c1ccc(Cl)cc1Cl)[S@@](=O)[*:1]
COCCCC[S@](=O)[C@H](C)c1ccc(Cl)cc1Cl COCCC[*:1] C[C@H](c1ccc(Cl)cc1Cl)[S@@](=O)C[*:1]
COC(=O)c1cc(C(=O)Nc2ccc(CC#N)cc2)cc([N+](=O)[O-])c1 COC(=O)[*:1] N#CCc1ccc(cc1)NC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
COC(=O)c1cc(C(=O)Nc2ccc(CC#N)cc2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cc(cc(c1)[*:1])C(=O)Nc1ccc(cc1)CC#N
COC(=O)c1cc(C(=O)Nc2ccc(CC#N)cc2)cc([N+](=O)[O-])c1 N#CC[*:1] COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(OC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 Cc1cccc(c1)[*:1] O=C(CCCN1C(=O)NC2(CCCC2)C1=O)O[*:1]
COC(=O)Cn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cc(C)ccc21 COC(=O)[*:1] Cc1ccc2c(c1)s/c(=N\C(=O)c1cc3ccccc3oc1=O)n2C[*:1]
COC(=O)Cn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cc(C)ccc21 COC(=O)C[*:1] Cc1ccc2c(c1)s/c(=N\C(=O)c1cc3ccccc3oc1=O)n2[*:1]
Cc1cccc(C)c1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3 Cc1cccc(C)c1[*:1] N#Cc1cc2cc3OCOc3cc2nc1SCC(=O)N[*:1]
Cc1ccc(N2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)nn1 C1CC1[*:1] Cc1ccc(nn1)N1CCCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2CCCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)nn1 Cc1ccc(nn1)[*:1] O=C([C@@H]1CC(=O)N(C1)C1CC1)N1CCCN(CC1)[*:1]
O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1N[*:1] O=C(Nc1cc2OCCOc2cc1Br)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1cc2OCCOc2cc1Br)c1ccc(NC2CC2)c(c1)[*:1]
O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] O=C(Nc1cc2OCCOc2cc1Br)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
COc1ccc(CN(C)C(=O)[C@@H](C)N2CC[NH+](C3CCCC3)CC2)cc1F COc1ccc(cc1F)[*:1] C[C@H](C(=O)N(C)C[*:1])N1CC[NH+](CC1)C1CCCC1
CNC(=O)[C@@H](C)NC1=[NH+]CCCC1 CNC(=O)[*:1] C[C@@H](NC1CCCC[NH+]=1)[*:1]
C[C@H]1CCc2sc(-c3nnc(SCc4nc5ccc(Cl)cc5n4CCO)o3)cc2C1 OCC[*:1] C[C@H]1CCc2sc(cc2C1)-c1nnc(o1)SCc1nc2ccc(Cl)cc2n1[*:1]
CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2CCCO OCCC[*:1] CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2[*:1]
CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2CCCO OCC[*:1] CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2C[*:1]
NS(=O)(=O)c1ccc2c(c1)CCN2CCCNC(=O)C1CCCC1 NS(=O)(=O)[*:1] O=C(NCCCN1CCc2cc(ccc21)[*:1])C1CCCC1
NS(=O)(=O)c1ccc2c(c1)CCN2CCCNC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 NS(=O)(=O)c1ccc2c(c1)CCN2CCC[*:1]
NS(=O)(=O)c1ccc2c(c1)CCN2CCCNC(=O)C1CCCC1 C1CCC(C1)[*:1] NS(=O)(=O)c1ccc2c(c1)CCN2CCCNC(=O)[*:1]
CCc1noc(CN(C)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)n1 C1CC[C@@H](CO[*:1])OC1 CCc1noc(CN(C)C(=O)Nc2ccccc2[*:1])n1
CCc1noc(CN(C)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)n1 CCc1noc(n1)[*:1] CN(C[*:1])C(=O)Nc1ccccc1OC[C@@H]1CCCCO1
CCc1noc(CN(C)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)n1 CCc1noc(C[*:1])n1 CN(C(=O)Nc1ccccc1OC[C@@H]1CCCCO1)[*:1]
Cc1ccn(CCNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1 Cc1ccn(C[*:1])n1 Cn1c(=O)n(C)c2cc(ccc21)NC(=O)C(=O)NC[*:1]
Cc1ccn(CCNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1 Cc1ccn(n1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)NC(=O)C(=O)NCC[*:1]
Cc1ccn(CCNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1 Cc1ccn(CC[*:1])n1 Cn1c(=O)n(C)c2cc(ccc21)NC(=O)C(=O)N[*:1]
Cc1ccnc([C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C2CC2)n1 Cc1ccnc(n1)[*:1] NS(=O)(=O)c1ccc(N[C@@H](C2CC2)[*:1])c(c1)[N+](=O)[O-]
Cc1ccnc([C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C2CC2)n1 O=[N+]([O-])[*:1] Cc1ccnc(n1)[C@@H](Nc1ccc(cc1[*:1])S(N)(=O)=O)C1CC1
Cc1ccnc([C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C2CC2)n1 C1CC1[*:1] Cc1ccnc(n1)[C@@H](Nc1ccc(cc1[N+](=O)[O-])S(N)(=O)=O)[*:1]
Cc1ccnc([C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C2CC2)n1 NS(=O)(=O)[*:1] Cc1ccnc(n1)[C@@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])C1CC1
[NH3+][C@@H](c1ccccc1)c1nnc(CSc2ccccc2)o1 c1ccc(cc1)[*:1] [NH3+][C@@H](c1nnc(CSc2ccccc2)o1)[*:1]
[NH3+][C@@H](c1ccccc1)c1nnc(CSc2ccccc2)o1 c1ccc(cc1)S[*:1] [NH3+][C@@H](c1ccccc1)c1nnc(C[*:1])o1
[NH3+][C@@H](c1ccccc1)c1nnc(CSc2ccccc2)o1 c1ccc(cc1)[*:1] [NH3+][C@@H](c1ccccc1)c1nnc(CS[*:1])o1
CC[NH+](C)CC(=O)N(C)CCC[NH3+] [NH3+]CCC[*:1] CC[NH+](C)CC(=O)N(C)[*:1]
CC[NH+](C)CC(=O)N(C)CCC[NH3+] [NH3+]CC[*:1] CC[NH+](C)CC(=O)N(C)C[*:1]
COCCN1C[C@@H](NC(=O)N2CC=C(C3=c4ccccc4=[NH+]C3)CC2)C=N1 COCC[*:1] O=C(N[C@H]1C=NN(C1)[*:1])N1CC=C(CC1)C1C[NH+]=c2ccccc2=1
COCCN1C[C@@H](NC(=O)N2CC=C(C3=c4ccccc4=[NH+]C3)CC2)C=N1 COC[*:1] O=C(N[C@H]1C=NN(C1)C[*:1])N1CC=C(CC1)C1C[NH+]=c2ccccc2=1
Cn1c(CSCc2ccc(-n3cccn3)cc2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(CSCc2ccc(cc2)-n2cccn2)nnc1[*:1]
Cn1c(CSCc2ccc(-n3cccn3)cc2)nnc1-c1ccccc1 c1cnn(c1)[*:1] Cn1c(CSCc2ccc(cc2)[*:1])nnc1-c1ccccc1
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 Fc1ccc(F)c(c1)[*:1] C[C@H](N(C)C(=O)Cc1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)Cc1ccc(cc1)[*:1]
COc1cc(F)cc(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 CC(C)[*:1] COc1cc(F)cc(c1)CNC(=O)[C@H]([NH2+]C1CCOCC1)[*:1]
CCc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc1 CCc1ccc(cc1)[*:1] C[C@@H]1Cc2cccc3c(=O)c(cn1c23)C(=O)N[*:1]
Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C(F)(F)F)c1 Cc1cc(C)cc(c1)O[*:1] O=C(N1CCc2cc(ccc21)S(=O)(=O)NCC[*:1])C(F)(F)F
Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C(F)(F)F)c1 Cc1cc(C)cc(c1)OC[*:1] O=C(N1CCc2cc(ccc21)S(=O)(=O)NC[*:1])C(F)(F)F
Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C(F)(F)F)c1 Cc1cc(C)cc(c1)[*:1] O=C(N1CCc2cc(ccc21)S(=O)(=O)NCCO[*:1])C(F)(F)F
Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(C)cc(c1)OCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[*:1]
CC[C@@H]([NH2+][C@@H]1CCc2c(OC)cccc21)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@@H]([NH2+][C@@H]1CCc2c(cccc21)OC)[*:1]
CC(C)CC(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 CC(C)CC(=O)N[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)[*:1])N1CCOCC1
CC(C)CC(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 CC(C)C[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)NC(=O)[*:1])N1CCOCC1
CC(C)CC(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 C1CN(CCO1)[*:1] CC(C)CC(=O)N[C@@H]1CC(C)(C)Cc2nc(ncc21)[*:1]
CC(C)CC(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 CC(C)[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)NC(=O)C[*:1])N1CCOCC1
CCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)s1 CC(C)(C)[*:1] CCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
CCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)s1 CCC(CC)[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
CCOC(=O)C1(O)CCN(c2ncccc2C#N)CC1 CCOC(=O)[*:1] N#Cc1cccnc1N1CCC(O)(CC1)[*:1]
C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(C)C)cc1 C1CO[C@H](C1)C[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(cc1)S(=O)(=O)N(C)C
C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(C)C)cc1 C1CO[C@H](C1)[*:1] C[C@@H]([NH2+]CC[*:1])c1ccc(cc1)S(=O)(=O)N(C)C
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1cccn(Cc3ccccc3)c1=O)C2 c1ccc(cc1)C[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)c1cccn(c1=O)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1cccn(Cc3ccccc3)c1=O)C2 c1ccc(cc1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)c1cccn(C[*:1])c1=O
O=C(NC(=S)N1CCCC[C@H]1c1cccnc1)c1cccnc1 c1cncc(c1)[*:1] O=C(NC(=S)N1CCCC[C@@H]1[*:1])c1cccnc1
O=C(NC(=S)N1CCCC[C@H]1c1cccnc1)c1cccnc1 c1cncc(c1)[*:1] O=C(NC(=S)N1CCCC[C@H]1c1cccnc1)[*:1]
CCc1ccc(NC(=O)C(=O)NCc2cccnc2OC(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)NC(=O)C(=O)NCc1cccnc1O[*:1]
CCc1ccc(NC(=O)C(=O)NCc2cccnc2OC(C)C)cc1 CC(C)O[*:1] CCc1ccc(cc1)NC(=O)C(=O)NCc1cccnc1[*:1]
CCc1ccc(NC(=O)C(=O)NCc2cccnc2OC(C)C)cc1 CCc1ccc(cc1)[*:1] CC(C)Oc1ncccc1CNC(=O)C(=O)N[*:1]
O=C(CCc1ccccc1)N1CCCC[C@@H]1CCN1CCOCC1 c1ccc(cc1)C[*:1] O=C(C[*:1])N1CCCC[C@@H]1CCN1CCOCC1
O=C(CCc1ccccc1)N1CCCC[C@@H]1CCN1CCOCC1 c1ccc(cc1)[*:1] O=C(CC[*:1])N1CCCC[C@@H]1CCN1CCOCC1
O=C(CCc1ccccc1)N1CCCC[C@@H]1CCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C(CCc1ccccc1)N1CCCC[C@H]1[*:1]
O=C(CCc1ccccc1)N1CCCC[C@@H]1CCN1CCOCC1 c1ccc(cc1)CC[*:1] O=C(N1CCCC[C@@H]1CCN1CCOCC1)[*:1]
O=C(CCc1ccccc1)N1CCCC[C@@H]1CCN1CCOCC1 C1CN(CCO1)[*:1] O=C(CCc1ccccc1)N1CCCC[C@@H]1CC[*:1]
O=C(CCc1ccccc1)N1CCCC[C@@H]1CCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CCc1ccccc1)N1CCCC[C@@H]1C[*:1]
CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)Cc2cccnc2)C1 CCNC(=O)[*:1] O=C(Cc1cccnc1)N1CCC[C@](Cc2ccccc2-c2ccncc2)(C1)[*:1]
CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)Cc2cccnc2)C1 c1cncc(c1)[*:1] CCNC(=O)[C@]1(CCCN(C1)C(=O)C[*:1])Cc1ccccc1-c1ccncc1
CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)Cc2cccnc2)C1 c1cncc(c1)C[*:1] CCNC(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1ccccc1-c1ccncc1
CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)Cc2cccnc2)C1 c1cc(ccn1)[*:1] CCNC(=O)[C@]1(CCCN(C1)C(=O)Cc1cccnc1)Cc1ccccc1[*:1]
O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(COC(=O)Cn1cnc2ccccc2c1=O)N[*:1]
CCN(C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)[C@@H](C)C(C)C C1CC1[*:1] CCN(C(=O)NC1CCN(CC1)S(=O)(=O)[*:1])[C@@H](C)C(C)C
CCN(C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)[C@@H](C)C(C)C CC(C)[*:1] CCN(C(=O)NC1CCN(CC1)S(=O)(=O)C1CC1)[C@@H](C)[*:1]
CCN(C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCN(C(=O)NC1CCN(CC1)S(=O)(=O)C1CC1)[*:1]
CC(C)c1cc([C@H]2CCCN2C(=O)c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)c1cc(no1)[C@H]1CCCN1C(=O)[*:1]
CC(C)c1cc([C@H]2CCCN2C(=O)c2ccccc2)no1 CC(C)[*:1] O=C(c1ccccc1)N1CCC[C@@H]1c1cc(on1)[*:1]
Cn1cc(/C=C(\C#N)C(=O)Nc2nccs2)c(-c2ccncc2)n1 O=C(Nc1nccs1)[*:1] Cn1cc(C=C(C#N)[*:1])c(n1)-c1ccncc1
Cn1cc(/C=C(\C#N)C(=O)Nc2nccs2)c(-c2ccncc2)n1 c1cc(ccn1)[*:1] Cn1cc(/C=C(\C#N)C(=O)Nc2nccs2)c(n1)[*:1]
Cn1cc(/C=C(\C#N)C(=O)Nc2nccs2)c(-c2ccncc2)n1 c1csc(n1)[*:1] Cn1cc(/C=C(\C#N)C(=O)N[*:1])c(n1)-c1ccncc1
CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 Clc1cc(Cl)cc(c1)[*:1] CC[NH+]1CCN(CC1)c1ccccc1NS(=O)(=O)[*:1]
Cc1ccn2/c(=N/C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)[nH]nc2c1 CC(C)(C)[*:1] Cc1ccn2/c(=N/C(=O)c3cc(C(C)C)n(n3)[*:1])[nH]nc2c1
Cc1ccn2/c(=N/C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)[nH]nc2c1 CC(C)[*:1] Cc1ccn2/c(=N/C(=O)c3cc(n(n3)C(C)(C)C)[*:1])[nH]nc2c1
CNC(=O)NCC(=O)Nc1cccc(OCc2cccc(F)c2)c1 CNC(=O)N[*:1] O=C(C[*:1])Nc1cccc(c1)OCc1cccc(F)c1
CNC(=O)NCC(=O)Nc1cccc(OCc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CNC(=O)NCC(=O)Nc1cccc(c1)OC[*:1]
CNC(=O)NCC(=O)Nc1cccc(OCc2cccc(F)c2)c1 Fc1cccc(c1)C[*:1] CNC(=O)NCC(=O)Nc1cccc(c1)O[*:1]
CNC(=O)NCC(=O)Nc1cccc(OCc2cccc(F)c2)c1 CNC(=O)NC[*:1] O=C(Nc1cccc(c1)OCc1cccc(F)c1)[*:1]
Cc1ccccc1C1=Nn2c(nnc2-c2ccccc2F)SC1 Cc1ccccc1[*:1] Fc1ccccc1-c1nnc2SCC(=Nn21)[*:1]
Cc1ccccc1C1=Nn2c(nnc2-c2ccccc2F)SC1 Fc1ccccc1[*:1] Cc1ccccc1C1CSc2nnc(n2N=1)[*:1]
Cc1cc(C)cc([C@@H](C)NC[C@@H]2CN(C3CC3)CCO2)c1 C1CC1[*:1] Cc1cc(C)cc(c1)[C@@H](C)NC[C@@H]1CN(CCO1)[*:1]
COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4ccc(C)c(C)c4)c3n2)cc1 COc1ccc(cc1)C[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc([O-])c2cnn(-c3ccc(C)c(C)c3)c2n1
COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4ccc(C)c(C)c4)c3n2)cc1 COc1ccc(cc1)CC(=O)N[*:1] Cc1cc(n(n1)-c1nc([O-])c2cnn(-c3ccc(C)c(C)c3)c2n1)[*:1]
COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4ccc(C)c(C)c4)c3n2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)CC(=O)Nc1cc(C)nn1-c1nc([O-])c2cnn(c2n1)[*:1]
COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4ccc(C)c(C)c4)c3n2)cc1 COc1ccc(cc1)[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1nc([O-])c2cnn(-c3ccc(C)c(C)c3)c2n1
CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CN(CC(C)C)CCO3)CC2)c(F)c1 CC(=O)[*:1] CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(CC2)c2ccc(cc2F)[*:1])C1
CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CN(CC(C)C)CCO3)CC2)c(F)c1 CC(=O)c1ccc(c(F)c1)[*:1] CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(CC2)[*:1])C1
CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CN(CC(C)C)CCO3)CC2)c(F)c1 CC(C)C[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)NC[C@H]1CN(CCO1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CN(CC(C)C)CCO3)CC2)c(F)c1 CC(C)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)NC[C@H]1CN(CCO1)C[*:1]
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1csc(C2CC2)n1 CC[C@H](C)[*:1] O=C(NCc1csc(n1)C1CC1)[C@H]1Cc2ccccc2CN1C(=O)[*:1]
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1csc(C2CC2)n1 c1sc(nc1[*:1])C1CC1 CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[*:1]
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1csc(C2CC2)n1 c1sc(nc1C[*:1])C1CC1 CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[*:1]
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1csc(C2CC2)n1 C1CC1[*:1] CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1csc(n1)[*:1]
CN(CCC1CC1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)OC(=O)[*:1] CN(CCC1CC1)C(=O)c1ccc(cc1)[*:1]
CN(CCC1CC1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] CN(CCC1CC1)C(=O)c1ccc(cc1)C(=O)O[*:1]
CN(CCC1CC1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 C1CC1C[*:1] CN(C[*:1])C(=O)c1ccc(cc1)C(=O)OC(C)(C)C
CN(CCC1CC1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 C1CC1[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)C(=O)OC(C)(C)C
CN(CCC1CC1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 C1CC1CC[*:1] CN(C(=O)c1ccc(cc1)C(=O)OC(C)(C)C)[*:1]
COc1ccc(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)cc1O Cc1nnc(o1)[*:1] COc1ccc(cc1O)CN1Cc2ccccc2C[C@H]1[*:1]
Cc1cc2c(c(=O)n1CCCn1ccnc1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 c1cn(cn1)CC[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3cccc(Cl)c3)c2c(=O)n1C[*:1]
Cc1cc2c(c(=O)n1CCCn1ccnc1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 c1cn(cn1)CCC[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3cccc(Cl)c3)c2c(=O)n1[*:1]
Cc1cc2c(c(=O)n1CCCn1ccnc1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 Clc1cccc(c1)[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c2c(=O)n1CCCn1ccnc1)[*:1]
Cc1cc2c(c(=O)n1CCCn1ccnc1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 c1cn(cn1)[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3cccc(Cl)c3)c2c(=O)n1CCC[*:1]
Cc1cc2c(c(=O)n1CCCn1ccnc1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 c1cn(cn1)C[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3cccc(Cl)c3)c2c(=O)n1CC[*:1]
COc1ccc2c(c1)N(C(=O)[C@@H](C)Cc1cccs1)CCO2 c1csc(c1)C[*:1] COc1ccc2OCCN(C(=O)[C@@H](C)[*:1])c2c1
COc1ccc2c(c1)N(C(=O)[C@@H](C)Cc1cccs1)CCO2 c1csc(c1)[*:1] COc1ccc2OCCN(C(=O)[C@@H](C)C[*:1])c2c1
COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nn1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)c1cn(Cc2ccccc2)nn1)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nn1 c1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)c1cn(C[*:1])nn1)NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nn1 c1ccc(cc1)C[*:1] COc1ccc(cc1NC(=O)c1cn(nn1)[*:1])NC(C)=O
CN(Cc1ccc(Br)s1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O Brc1ccc(s1)[*:1] CN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C[*:1]
CN(Cc1ccc(Br)s1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O Brc1ccc(C[*:1])s1 CN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[*:1]
CN(CC1CC1)C(=O)NCC(C)(C)c1ccc(Cl)cc1 C1CC1C[*:1] CN(C(=O)NCC(C)(C)c1ccc(Cl)cc1)[*:1]
CN(CC1CC1)C(=O)NCC(C)(C)c1ccc(Cl)cc1 C1CC1[*:1] CN(C[*:1])C(=O)NCC(C)(C)c1ccc(Cl)cc1
O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)NC[C@@H]1COc2ccccc2C1 FC(F)(F)C[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)NC[C@@H]1COc2ccccc2C1
O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)NC[C@@H]1COc2ccccc2C1 O=C(NCC(F)(F)F)[*:1] O=C(NC[C@@H]1COc2ccccc2C1)N1CCC[C@@H]1[*:1]
O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)NC[C@@H]1COc2ccccc2C1 FC(F)(F)[*:1] O=C(NC[*:1])[C@H]1CCCN1C(=O)NC[C@@H]1COc2ccccc2C1
Cc1cc(-c2nnc(CN3CCNC[C@H]3C#N)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] N#C[C@@H]1CNCCN1Cc1nnc(o1)[*:1]
NS(=O)(=O)c1ccc(Cl)c(C(=O)OCCSc2ccccc2F)c1 Fc1ccccc1S[*:1] NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)OCC[*:1]
NS(=O)(=O)c1ccc(Cl)c(C(=O)OCCSc2ccccc2F)c1 NS(=O)(=O)[*:1] O=C(OCCSc1ccccc1F)c1cc(ccc1Cl)[*:1]
NS(=O)(=O)c1ccc(Cl)c(C(=O)OCCSc2ccccc2F)c1 Fc1ccccc1[*:1] NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)OCCS[*:1]
CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1S[C@@H](C)CC CC[C@H](C)S[*:1] CCC[NH2+][C@@H]1c2cc(ccc2CC[C@@H]1[*:1])OC
CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1S[C@@H](C)CC CC[C@H](C)[*:1] CCC[NH2+][C@@H]1c2cc(ccc2CC[C@H]1S[*:1])OC
CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1S[C@@H](C)CC CCC[*:1] CC[C@H](C)S[C@@H]1CCc2ccc(cc2[C@H]1[NH2+][*:1])OC
Nc1ccc(NC(=O)CCSCc2ccco2)c(Cl)c1 c1coc(c1)C[*:1] Nc1ccc(NC(=O)CCS[*:1])c(Cl)c1
Nc1ccc(NC(=O)CCSCc2ccco2)c(Cl)c1 c1coc(c1)[*:1] Nc1ccc(NC(=O)CCSC[*:1])c(Cl)c1
Nc1cc(N)nc(SCc2cc(-c3cccs3)on2)n1 c1csc(c1)[*:1] Nc1cc(N)nc(n1)SCc1cc(on1)[*:1]
CC(=O)Nc1ccccc1CN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 CC(C)[*:1] CC(=O)Nc1ccccc1CN1CCC[C@H](C1)c1nc2ccccc2n1[*:1]
CC(=O)Nc1ccccc1CN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 CC(=O)N[*:1] CC(C)n1c(nc2ccccc21)[C@@H]1CCCN(Cc2ccccc2[*:1])C1
CCSc1nncn1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 CCS[*:1] Cc1c(Cl)cccc1OCc1ccc(/C=N/n2cnnc2[*:1])o1
CCSc1nncn1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 Cc1c(Cl)cccc1[*:1] CCSc1nncn1/N=C/c1ccc(CO[*:1])o1
O=C([O-])[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccccc1[*:1]
O=C([O-])[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccccc1-c1ccccc1 O=C([O-])[*:1] O=C(Nc1ccccc1-c1ccccc1)[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1[*:1]
COC(=O)c1occc1C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 COC(=O)[*:1] FC(F)(F)c1ccc(nc1)N1CC[NH+](CC1)Cc1ccoc1[*:1]
COC(=O)c1occc1C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] COC(=O)c1occc1C[NH+]1CCN(CC1)c1ccc(cn1)[*:1]
O=C(CCCOc1cccnc1)N1CCOC[C@@H]1C1CC1 c1cncc(c1)O[*:1] O=C(CCC[*:1])N1CCOC[C@@H]1C1CC1
O=C(CCCOc1cccnc1)N1CCOC[C@@H]1C1CC1 c1cncc(c1)[*:1] O=C(CCCO[*:1])N1CCOC[C@@H]1C1CC1
O=C(CCCOc1cccnc1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(CCCOc1cccnc1)N1CCOC[C@H]1[*:1]
CCN(Cc1ccccn1)c1ccc(F)cc1CC[NH3+] c1ccc(nc1)[*:1] CCN(C[*:1])c1ccc(F)cc1CC[NH3+]
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 O=C(Nc1ccccc1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)NCc1ccco1)N1CCC(CC1)[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 c1coc(c1)C[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(cc1)S(=O)(=O)NCc1ccco1
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 O=S(=O)(NCc1ccco1)[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 c1coc(c1)[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
Nc1nccnc1C(=O)N1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] Nc1nccnc1C(=O)N1CCN(CC1)C(=O)[*:1]
CSc1nccnc1CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C CC(C)(C)[*:1] CSc1nccnc1CN1CCN(C[C@H]1C)C(=O)O[*:1]
Cc1nc(C[C@H](O)CCOc2ccccc2)sc1C c1ccc(cc1)[*:1] Cc1nc(C[C@H](O)CCO[*:1])sc1C
CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 CC[C@@H](C)[*:1] O=C(Nc1ccc(Cl)c(c1)C(=O)[O-])c1cccc(c1)O[*:1]
CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] CC[C@@H](C)Oc1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 CC[C@@H](C)O[*:1] O=C(Nc1ccc(Cl)c(c1)C(=O)[O-])c1cccc(c1)[*:1]
C[C@@H]([C@@H](C)C(=O)[O-])N1C[C@H]2C[NH2+]C[C@@H]2[C@@H]1C O=C([O-])[*:1] C[C@H]1[C@H]2C[NH2+]C[C@@H]2CN1[C@@H](C)[C@@H](C)[*:1]
C[C@@H]([C@@H](C)C(=O)[O-])N1C[C@H]2C[NH2+]C[C@@H]2[C@@H]1C C[C@@H](C(=O)[O-])[*:1] C[C@H]1[C@H]2C[NH2+]C[C@@H]2CN1[C@H](C)[*:1]
CCOc1cc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccncc4)n3)CC2)ccc1OC c1cc(ccn1)[*:1] CCOc1cc(ccc1OC)C[NH+]1CCC(CC1)c1cc(=O)[nH]c(n1)[*:1]
CCOc1cc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccncc4)n3)CC2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C[NH+]1CCC(CC1)c1cc(=O)[nH]c(n1)-c1ccncc1
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(o1)[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nnc(o1)-c1ccc(Cl)cc1)N[*:1]
C[C@@H](Sc1ccccn1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C c1ccc(nc1)S[*:1] C[C@@H](C(=O)Nc1cc(ccc1C[NH+](C)C)C(N)=O)[*:1]
C[C@@H](Sc1ccccn1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C NC(=O)[*:1] C[C@@H](Sc1ccccn1)C(=O)Nc1cc(ccc1C[NH+](C)C)[*:1]
C[C@@H](Sc1ccccn1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1cc(ccc1C[NH+](C)C)C(N)=O
C[NH+](C)[C@@H](CNC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccc1 C1CO[C@@H](C1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cnc(s1)[*:1])c1ccccc1
C[NH+](C)[C@@H](CNC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc2[nH]ccc2c1 NC(=O)[*:1] O=C(Nc1ccc(cc1[*:1])N1CCOCC1)c1ccc2[nH]ccc2c1
NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc2[nH]ccc2c1 C1CN(CCO1)[*:1] NC(=O)c1cc(ccc1NC(=O)c1ccc2[nH]ccc2c1)[*:1]
NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc2[nH]ccc2c1 c1cc2cc(ccc2[nH]1)[*:1] NC(=O)c1cc(ccc1NC(=O)[*:1])N1CCOCC1
CC(=O)[C@H](C)n1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 c1coc(c1)[*:1] CC(=O)[C@H](C)n1c(nc2ccccc21)[C@@H](C)NC(=O)[*:1]
CC(=O)[C@H](C)n1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 CC(=O)[C@H](C)[*:1] C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1[*:1]
CC(=O)[C@H](C)n1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 CC(=O)[*:1] C[C@H](n1c(nc2ccccc21)[C@@H](C)NC(=O)c1ccco1)[*:1]
CC(=O)[C@H](C)n1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 O=C(N[*:1])c1ccco1 CC(=O)[C@H](C)n1c(nc2ccccc21)[C@@H](C)[*:1]
CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 O=[N+]([O-])[*:1] CSc1ccc(c(c1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[*:1]
CC[NH+](CCNC(=O)c1cc(C(C)C)no1)C(C)C CC(C)[*:1] CC[NH+](CCNC(=O)c1cc(no1)[*:1])C(C)C
CC[NH+](CCNC(=O)c1cc(C(C)C)no1)C(C)C CC(C)[*:1] CC[NH+](CCNC(=O)c1cc(no1)C(C)C)[*:1]
CN1C[C@H](c2ccccc2)Oc2ccccc2C1=O c1ccc(cc1)[*:1] CN1C[C@H](Oc2ccccc2C1=O)[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2OCC(=O)N2CCCC2)c(OC)c1 O=C(C[*:1])N1CCCC1 COc1ccc(c(c1)OC)N1C(=O)c2ccccc2N[C@@H]1c1ccccc1O[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2OCC(=O)N2CCCC2)c(OC)c1 O=C(N1CCCC1)[*:1] COc1ccc(c(c1)OC)N1C(=O)c2ccccc2N[C@@H]1c1ccccc1OC[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2OCC(=O)N2CCCC2)c(OC)c1 O=C(CO[*:1])N1CCCC1 COc1ccc(c(c1)OC)N1C(=O)c2ccccc2N[C@@H]1c1ccccc1[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2OCC(=O)N2CCCC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(COc1ccccc1[C@H]1Nc2ccccc2C(=O)N1[*:1])N1CCCC1
COc1ccc(-c2nc(Cn3cc[nH+]c3C(C)C)c(C)o2)c(OC)c1C CC(C)[*:1] COc1ccc(-c2nc(Cn3cc[nH+]c3[*:1])c(C)o2)c(OC)c1C
Cn1nnc2cc(C(=O)N3CC[C@H]3c3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] Cn1nnc2cc(ccc21)C(=O)N1CC[C@@H]1[*:1]
O=C(Nc1cccc(-c2cnco2)c1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)-c1cnco1)c1ccc(cc1)[*:1]
O=C(Nc1cccc(-c2cnco2)c1)c1ccc(C(F)(F)F)cc1 c1ncc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)C(F)(F)F
CCO[C@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1 C1CCC(CC1)C[*:1] CCO[C@H]1CCCN(C1)C(=O)NNC(=O)[*:1]
CCO[C@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1 CCO[*:1] O=C(CC1CCCCC1)NNC(=O)N1CCC[C@@H](C1)[*:1]
CCO[C@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1 C1CCC(CC1)[*:1] CCO[C@H]1CCCN(C1)C(=O)NNC(=O)C[*:1]
C/C=C\C=C\C(=O)Nc1ccccc1COc1ccccc1 c1ccc(cc1)O[*:1] C/C=C\C=C\C(=O)Nc1ccccc1C[*:1]
C/C=C\C=C\C(=O)Nc1ccccc1COc1ccccc1 CC=C[*:1] O=C(C=C[*:1])Nc1ccccc1COc1ccccc1
C/C=C\C=C\C(=O)Nc1ccccc1COc1ccccc1 c1ccc(cc1)[*:1] C/C=C\C=C\C(=O)Nc1ccccc1CO[*:1]
C/C=C\C=C\C(=O)Nc1ccccc1COc1ccccc1 C/C=C\C=C[*:1] O=C(Nc1ccccc1COc1ccccc1)[*:1]
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 CC(=O)[*:1] CC1OC(N)=C(C#N)[C@H](C=1[*:1])c1cccc(c1)[N+](=O)[O-]
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(c1)[*:1]
CC[C@@](C)(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)c1c(C)cc(C)[nH]c1=O)[*:1]
NC(=O)Oc1ccc2ccsc2c1 NC(=O)O[*:1] c1cc2ccc(cc2s1)[*:1]
COC(=O)c1sc(NC(=O)c2ccncc2)c(C(=O)OC(C)C)c1C CC(C)OC(=O)[*:1] COC(=O)c1sc(NC(=O)c2ccncc2)c(c1C)[*:1]
COC(=O)c1sc(NC(=O)c2ccncc2)c(C(=O)OC(C)C)c1C CC(C)[*:1] COC(=O)c1sc(NC(=O)c2ccncc2)c(C(=O)O[*:1])c1C
COC(=O)c1sc(NC(=O)c2ccncc2)c(C(=O)OC(C)C)c1C c1cc(ccn1)[*:1] COC(=O)c1sc(NC(=O)[*:1])c(C(=O)OC(C)C)c1C
COC(=O)c1sc(NC(=O)c2ccncc2)c(C(=O)OC(C)C)c1C COC(=O)[*:1] Cc1c(sc(NC(=O)c2ccncc2)c1C(=O)OC(C)C)[*:1]
COCCOc1ccc(CNC(=O)N2CCC[C@H](C)CC2)cn1 COCCO[*:1] C[C@H]1CCCN(CC1)C(=O)NCc1ccc(nc1)[*:1]
COCCOc1ccc(CNC(=O)N2CCC[C@H](C)CC2)cn1 COCC[*:1] C[C@H]1CCCN(CC1)C(=O)NCc1ccc(nc1)O[*:1]
COCCOc1ccc(CNC(=O)N2CCC[C@H](C)CC2)cn1 COC[*:1] C[C@H]1CCCN(CC1)C(=O)NCc1ccc(nc1)OC[*:1]
CCN(C(=O)c1cccc(C(F)(F)F)c1F)C1C[NH2+]C1 FC(F)(F)[*:1] CCN(C(=O)c1cccc(c1F)[*:1])C1C[NH2+]C1
CCc1nn(C)cc1C[NH2+][C@@H](CC)C1CCCCC1 C1CCC(CC1)[*:1] CCc1nn(C)cc1C[NH2+][C@@H](CC)[*:1]
C[C@@](Nc1ccccc1F)(C(N)=O)c1cc(F)cc(F)c1 NC(=O)[*:1] C[C@@](Nc1ccccc1F)(c1cc(F)cc(F)c1)[*:1]
C[C@@](Nc1ccccc1F)(C(N)=O)c1cc(F)cc(F)c1 Fc1ccccc1[*:1] C[C@@](N[*:1])(C(N)=O)c1cc(F)cc(F)c1
CNC(=O)c1ccc(CSCC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 CNC(=O)[*:1] O=C(CSCc1ccc(cc1)[*:1])N1CCO[C@H]2CCCC[C@H]21
CC(=O)Nc1cc(Cl)c([N+](=O)[O-])c2cccnc12 CC(=O)N[*:1] O=[N+]([O-])c1c(Cl)cc(c2ncccc12)[*:1]
CC(=O)Nc1cc(Cl)c([N+](=O)[O-])c2cccnc12 O=[N+]([O-])[*:1] CC(=O)Nc1cc(Cl)c(c2cccnc12)[*:1]
O=C(NCC1(CN2CCOCC2)CCCCC1)N1CCOC[C@@H]1C1CC1 C1CN(CCO1)C[*:1] O=C(NCC1(CCCCC1)[*:1])N1CCOC[C@@H]1C1CC1
O=C(NCC1(CN2CCOCC2)CCCCC1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(NCC1(CCCCC1)CN1CCOCC1)N1CCOC[C@H]1[*:1]
O=C(NCC1(CN2CCOCC2)CCCCC1)N1CCOC[C@@H]1C1CC1 C1CN(CCO1)[*:1] O=C(NCC1(CCCCC1)C[*:1])N1CCOC[C@@H]1C1CC1
COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)ccc1OCc1cscn1 c1nc(cs1)CO[*:1] COc1cc(ccc1[*:1])C(=O)N(C)Cc1ccc(Cl)s1
COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)ccc1OCc1cscn1 c1nc(cs1)[*:1] COc1cc(ccc1OC[*:1])C(=O)N(C)Cc1ccc(Cl)s1
COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)ccc1OCc1cscn1 Clc1ccc(C[*:1])s1 COc1cc(ccc1OCc1cscn1)C(=O)N(C)[*:1]
COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)ccc1OCc1cscn1 Clc1ccc(s1)[*:1] COc1cc(ccc1OCc1cscn1)C(=O)N(C)C[*:1]
COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)ccc1OCc1cscn1 c1nc(cs1)C[*:1] COc1cc(ccc1O[*:1])C(=O)N(C)Cc1ccc(Cl)s1
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(/C=C/C(=O)N[C@@H]2CC[C@H](C2)[NH+](C)C)cs1)[*:1]
COc1ccccc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 COc1ccccc1[*:1] O=C(N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)[*:1]
COc1ccccc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] COc1ccccc1C(=O)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
C[C@H]1CCN(C(=O)NCCNC(=O)C2CC2)C[C@@H]1O C1CC1[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NCCNC(=O)[*:1]
C[C@H]1CCN(C(=O)NCCNC(=O)C2CC2)C[C@@H]1O O=C(N[*:1])C1CC1 C[C@H]1CCN(C[C@@H]1O)C(=O)NCC[*:1]
Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCN(C3CC3)C2)c(Cl)c1 C1CC1[*:1] Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCN(C2)[*:1])c(Cl)c1
O=S(=O)(/N=C([O-])/C=C/c1ccc2c(c1)OCCO2)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=S(=O)(/N=C([O-])/C=C/c1ccc2OCCOc2c1)[*:1]
Cc1cnc([C@H](NC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
Cc1cnc([C@H](NC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C2CC2)s1 C1CCC(C1)O[*:1] Cc1cnc(s1)[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[*:1])C1CC1
Cc1cnc([C@H](NC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C2CC2)s1 Cc1cnc(s1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)N[C@H](C1CC1)[*:1]
Cc1cnc([C@H](NC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C2CC2)s1 C1CCC(C1)[*:1] Cc1cnc(s1)[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1O[*:1])C1CC1
Cc1ccccc1C(=O)Nc1nc(C)c(C(=O)Nc2ccccc2Cl)s1 Clc1ccccc1[*:1] Cc1ccccc1C(=O)Nc1nc(C)c(s1)C(=O)N[*:1]
Cc1ccccc1C(=O)Nc1nc(C)c(C(=O)Nc2ccccc2Cl)s1 Cc1ccccc1[*:1] Cc1nc(NC(=O)[*:1])sc1C(=O)Nc1ccccc1Cl
CC1=C([C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c2c(C)n[nH]c2[O-])[C@@H](O)N=N1 Clc1ccc(cc1Cl)C[*:1] CC1N=N[C@H](O)C=1[C@H](c1ccc(cc1)O[*:1])c1c(C)n[nH]c1[O-]
CC1=C([C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c2c(C)n[nH]c2[O-])[C@@H](O)N=N1 Clc1ccc(cc1Cl)CO[*:1] CC1N=N[C@H](O)C=1[C@H](c1ccc(cc1)[*:1])c1c(C)n[nH]c1[O-]
CC1=C([C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c2c(C)n[nH]c2[O-])[C@@H](O)N=N1 Clc1ccc(cc1Cl)[*:1] CC1N=N[C@H](O)C=1[C@H](c1ccc(cc1)OC[*:1])c1c(C)n[nH]c1[O-]
C[NH+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] C[NH+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1[*:1]
C[NH+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1N1CCCCC1 Fc1ccc(cc1F)[*:1] C[NH+](CC(=O)N[*:1])Cc1ccccc1N1CCCCC1
CSc1nc(-c2ccco2)nc(C)c1C(=O)NCC[C@@H](O)C(C)C CC(C)[C@H](O)[*:1] CSc1nc(nc(C)c1C(=O)NCC[*:1])-c1ccco1
CSc1nc(-c2ccco2)nc(C)c1C(=O)NCC[C@@H](O)C(C)C CC(C)[C@H](O)C[*:1] CSc1nc(nc(C)c1C(=O)NC[*:1])-c1ccco1
CSc1nc(-c2ccco2)nc(C)c1C(=O)NCC[C@@H](O)C(C)C CC(C)[C@H](O)CC[*:1] CSc1nc(nc(C)c1C(=O)N[*:1])-c1ccco1
CSc1nc(-c2ccco2)nc(C)c1C(=O)NCC[C@@H](O)C(C)C c1coc(c1)[*:1] CSc1nc(nc(C)c1C(=O)NCC[C@@H](O)C(C)C)[*:1]
CSc1nc(-c2ccco2)nc(C)c1C(=O)NCC[C@@H](O)C(C)C CC(C)[*:1] CSc1nc(nc(C)c1C(=O)NCC[C@@H](O)[*:1])-c1ccco1
CC(C)NC(=O)CNC(=O)[C@@H]1CC[NH2+][C@H]1C CC(C)[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(=O)N[*:1]
COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1O C1CO[C@H](C1)C[*:1] COc1ccc(cc1O)[C@H]1Nc2ccccc2C(=O)N1[*:1]
COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1O C1CO[C@H](C1)[*:1] COc1ccc(cc1O)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(OC(C)C)cc2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)/C=C/c2ccc(cc2)OC(C)C)c(C)c1[*:1]
COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(OC(C)C)cc2)c1C CC(C)O[*:1] COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(cc2)[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(OC(C)C)cc2)c1C CC(C)[*:1] COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(cc2)O[*:1])c1C
O=C(COc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CCc2ccccc21 O=[N+]([O-])[*:1] O=C(COc1cccc(c1)[*:1])N(C1CC1)[C@@H]1CCc2ccccc21
O=C(COc1cccc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CCc2ccccc21 C1CC1[*:1] O=C(COc1cccc(c1)[N+](=O)[O-])N([C@@H]1CCc2ccccc21)[*:1]
Cc1n[nH]cc1CN1CCCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1n[nH]cc1CN1CCCC[C@H]1C[*:1]
Cc1n[nH]cc1CN1CCCC[C@H]1Cc1ccccc1 Cc1n[nH]cc1[*:1] c1ccc(cc1)C[C@@H]1CCCCN1C[*:1]
Cn1cccc(NC(=O)c2cccnc2SC(F)F)c1=O FC(F)S[*:1] Cn1cccc(NC(=O)c2cccnc2[*:1])c1=O
Cn1cccc(NC(=O)c2cccnc2SC(F)F)c1=O FC(F)[*:1] Cn1cccc(NC(=O)c2cccnc2S[*:1])c1=O
CCn1nc(C)c2[nH]c(=S)n(CCCS(C)(=O)=O)c21 CS(=O)(=O)[*:1] CCn1nc(C)c2[nH]c(=S)n(CCC[*:1])c21
CCn1nc(C)c2[nH]c(=S)n(CCCS(C)(=O)=O)c21 CS(=O)(=O)C[*:1] CCn1nc(C)c2[nH]c(=S)n(CC[*:1])c21
CCn1nc(C)c2[nH]c(=S)n(CCCS(C)(=O)=O)c21 CS(=O)(=O)CC[*:1] CCn1nc(C)c2[nH]c(=S)n(C[*:1])c21
O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1)N[*:1]
Cc1ccc(Cn2ccc(NC(=O)COc3ccc(I)cc3)n2)cc1 Ic1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1ccc(n1)NC(=O)CO[*:1]
Cc1ccc(Cn2ccc(NC(=O)COc3ccc(I)cc3)n2)cc1 Cc1ccc(cc1)C[*:1] O=C(COc1ccc(I)cc1)Nc1ccn(n1)[*:1]
Cc1ccc(Cn2ccc(NC(=O)COc3ccc(I)cc3)n2)cc1 Ic1ccc(cc1)O[*:1] Cc1ccc(cc1)Cn1ccc(n1)NC(=O)C[*:1]
Cc1ccc(Cn2ccc(NC(=O)COc3ccc(I)cc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(I)cc1)Nc1ccn(C[*:1])n1
COc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 COc1cccc(c1)[*:1] O=C(CCC1CCN(CC1)C(=O)[C@@H]1CCCO1)N[*:1]
CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CN(Cc1nc(no1)-c1ccncc1)C(=O)[*:1]
CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H]1CCCO1 c1cc(ccn1)[*:1] CN(Cc1nc(no1)[*:1])C(=O)[C@H]1CCCO1
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)c1ccc(cc1)NS(=O)(=O)[*:1]
CCCCOCCSc1ccc(N)c(C)c1 CCCCO[*:1] Cc1cc(ccc1N)SCC[*:1]
CCCCOCCSc1ccc(N)c(C)c1 CCC[*:1] Cc1cc(ccc1N)SCCOC[*:1]
CCCCOCCSc1ccc(N)c(C)c1 CCCC[*:1] Cc1cc(ccc1N)SCCO[*:1]
O=C1CCCN1C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 O=C1CCCN1[*:1] O[C@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)C[*:1]
O=C1CCCN1C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 Fc1ccc(cc1)[*:1] O=C1CCCN1C[C@H](O)C[NH2+][C@@H](C1CCCC1)[*:1]
O=C1CCCN1C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 O=C1CCCN1C[*:1] O[C@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)[*:1]
O=C1CCCN1C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] O=C1CCCN1C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)[*:1]
COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1occc1C COC(=O)[*:1] Cc1ccoc1CN(C)[C@@H](c1cc(F)c(F)c(F)c1)[*:1]
COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1occc1C Cc1ccoc1[*:1] COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C[*:1]
COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1occc1C Cc1ccoc1C[*:1] COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)[*:1]
COc1cccc2cc(C(=O)N3C[C@H](C)[C@H](N4CCOCC4)C3)oc12 C1CN(CCO1)[*:1] COc1cccc2cc(oc12)C(=O)N1C[C@H](C)[C@H](C1)[*:1]
COC[C@@H](C)NS(=O)(=O)c1ccc(Br)c(C)c1 COC[C@@H](C)[*:1] Cc1cc(ccc1Br)S(=O)(=O)N[*:1]
COC[C@@H](C)NS(=O)(=O)c1ccc(Br)c(C)c1 COC[*:1] Cc1cc(ccc1Br)S(=O)(=O)N[C@H](C)[*:1]
C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)N(C)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)N(C)C[*:1]
C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)N(C)C[C@@H]1CCCO1 FC(F)(F)[*:1] C[C@@H](COc1ccccc1[*:1])NC(=O)N(C)C[C@@H]1CCCO1
C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)N(C)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)N(C)[*:1]
Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)CC2)cn1 Cn1cc(cn1)C(=O)N[*:1] O=C1C[C@@H](CN1CC1CC1)C(=O)N1CCC(CC1)C[*:1]
Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)CC2)cn1 C1CC1C[*:1] Cn1cc(cn1)C(=O)NCC1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)CC2)cn1 Cn1cc(cn1)[*:1] O=C1C[C@@H](CN1CC1CC1)C(=O)N1CCC(CC1)CNC(=O)[*:1]
Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3CC(=O)N(CC4CC4)C3)CC2)cn1 C1CC1[*:1] Cn1cc(cn1)C(=O)NCC1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
COc1ccc(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1O c1ccc(cc1)[*:1] COc1ccc(cc1O)C[NH+]1CCN(CC1)[C@H]1CCN(C1=O)[*:1]
COc1ccc(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1O COc1ccc(cc1O)[*:1] O=C1[C@H](CCN1c1ccccc1)N1CC[NH+](CC1)C[*:1]
Cc1cccnc1C(=O)NNC(=O)c1scnc1C1CC1 C1CC1[*:1] Cc1cccnc1C(=O)NNC(=O)c1scnc1[*:1]
Cc1cccnc1C(=O)NNC(=O)c1scnc1C1CC1 Cc1cccnc1[*:1] O=C(NNC(=O)[*:1])c1scnc1C1CC1
O=C(N[C@H](CO)c1ccccc1F)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] O=C(N[C@H](CO)c1ccccc1F)c1cnc(s1)[*:1]
O=C(N[C@H](CO)c1ccccc1F)c1cnc([C@H]2CCCO2)s1 Fc1ccccc1[*:1] O=C(N[C@H](CO)[*:1])c1cnc(s1)[C@H]1CCCO1
CCc1onc(C)c1NC(=O)C[C@H](C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)C[C@H](C)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CCC[C@@H]3SC)ccc21 CCC[*:1] CS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CC(C)n1ncc2c(C(=O)Nc3nc4c(s3)CCCC4)cc(C3CC3)nc21 C1CCc2sc(nc2C1)[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)N[*:1]
CC(C)n1ncc2c(C(=O)Nc3nc4c(s3)CCCC4)cc(C3CC3)nc21 CC(C)[*:1] O=C(Nc1nc2CCCCc2s1)c1cc(nc2c1cnn2[*:1])C1CC1
CC(C)n1ncc2c(C(=O)Nc3nc4c(s3)CCCC4)cc(C3CC3)nc21 C1CC1[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)Nc1nc2CCCCc2s1
OC1(c2ccc(F)cc2)CC[NH+](Cc2c(C(F)(F)F)[nH]c3ncccc23)CC1 FC(F)(F)[*:1] OC1(CC[NH+](CC1)Cc1c([nH]c2ncccc12)[*:1])c1ccc(F)cc1
OC1(c2ccc(F)cc2)CC[NH+](Cc2c(C(F)(F)F)[nH]c3ncccc23)CC1 Fc1ccc(cc1)[*:1] OC1(CC[NH+](CC1)Cc1c([nH]c2ncccc12)C(F)(F)F)[*:1]
CNc1ccc([N+](=O)[O-])cc1C(=O)NCCNC(=O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CNc1ccc(cc1C(=O)NCCNC(=O)[*:1])[N+](=O)[O-]
CNc1ccc([N+](=O)[O-])cc1C(=O)NCCNC(=O)c1ccc(O)cc1 O=[N+]([O-])[*:1] CNc1ccc(cc1C(=O)NCCNC(=O)c1ccc(O)cc1)[*:1]
CCn1/c(=N/C(=O)c2ccc(C)cc2)sc2cc3c(cc21)OCCO3 Cc1ccc(cc1)[*:1] CCn1/c(=N/C(=O)[*:1])sc2cc3OCCOc3cc21
O=C(CCC1CCCC1)N1CCCC[C@H]1c1ccnc2ncnn12 C1CCC(C1)C[*:1] O=C(C[*:1])N1CCCC[C@H]1c1ccnc2ncnn12
O=C(CCC1CCCC1)N1CCCC[C@H]1c1ccnc2ncnn12 C1CCC(C1)CC[*:1] O=C(N1CCCC[C@H]1c1ccnc2ncnn12)[*:1]
O=C(CCC1CCCC1)N1CCCC[C@H]1c1ccnc2ncnn12 C1CCC(C1)[*:1] O=C(CC[*:1])N1CCCC[C@H]1c1ccnc2ncnn12
CC[C@H](C)N1C[C@H](c2ccccc2)[NH2+]CC1(CC)CC CC[C@H](C)[*:1] CCC1(CC)C[NH2+][C@H](CN1[*:1])c1ccccc1
CC[C@H](C)N1C[C@H](c2ccccc2)[NH2+]CC1(CC)CC c1ccc(cc1)[*:1] CC[C@H](C)N1C[C@H]([NH2+]CC1(CC)CC)[*:1]
Cc1sc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)NC(C)(C)c1ccc(cc1)[*:1]
Cc1sc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1sc(cc1[*:1])C(=O)NC(C)(C)c1ccc(cc1)[N+](=O)[O-]
CC(C)(C)Oc1cc(CNC(=O)N2CCC(n3cccn3)CC2)ccn1 c1cnn(c1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)N1CCC(CC1)[*:1]
CC(C)(C)Oc1cc(CNC(=O)N2CCC(n3cccn3)CC2)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])N1CCC(CC1)n1cccn1
CC(C)(C)Oc1cc(CNC(=O)N2CCC(n3cccn3)CC2)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])N1CCC(CC1)n1cccn1
Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCSC2=O)cc1 O=C1SCCN1[*:1] Cc1ccc(cc1)Oc1ccc(Cl)cc1NC(=O)C[*:1]
Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCSC2=O)cc1 O=C1SCCN1C[*:1] Cc1ccc(cc1)Oc1ccc(Cl)cc1NC(=O)[*:1]
Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCSC2=O)cc1 Cc1ccc(cc1)O[*:1] O=C(CN1CCSC1=O)Nc1cc(Cl)ccc1[*:1]
Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCSC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCSC1=O)Nc1cc(Cl)ccc1O[*:1]
C[C@@H]1CN(C(=O)CCCc2cccs2)CC[C@@H]1[NH3+] c1csc(c1)C[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])C(=O)CC[*:1]
C[C@@H]1CN(C(=O)CCCc2cccs2)CC[C@@H]1[NH3+] c1csc(c1)[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])C(=O)CCC[*:1]
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(C#N)cs1 C[S@@](=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)Cc1cc(C#N)cs1
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(C#N)cs1 N#Cc1csc(c1)[*:1] C[C@@H](c1ccc(cc1)[S@@](C)=O)N(C)C[*:1]
Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1 Fc1ccc(cc1)C[*:1] Cc1ccc(CN2CCc3nnc(CCNC(=O)[*:1])n3CC2)o1
Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1 Cc1ccc(o1)[*:1] O=C(Cc1ccc(F)cc1)NCCc1nnc2CCN(CCn12)C[*:1]
Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1 Fc1ccc(cc1)[*:1] Cc1ccc(CN2CCc3nnc(CCNC(=O)C[*:1])n3CC2)o1
Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1 Cc1ccc(C[*:1])o1 O=C(Cc1ccc(F)cc1)NCCc1nnc2CCN(CCn12)[*:1]
COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)cc1 COc1ccc(cc1)[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)N[*:1])[C@H]1c1ccccc1
COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1[*:1]
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1cccc(c1)C(F)(F)F
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 FC(F)(F)[*:1] O=C(NNC(=O)c1cccc(c1)[*:1])c1ccccc1
COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(F)cc1Br COC[*:1] C[C@H]([NH2+]CC[C@H](O)[*:1])c1ccc(F)cc1Br
COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(F)cc1Br COC[C@@H](O)[*:1] C[C@H]([NH2+]CC[*:1])c1ccc(F)cc1Br
COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(F)cc1Br COC[C@@H](O)C[*:1] C[C@H]([NH2+]C[*:1])c1ccc(F)cc1Br
N#Cc1cc(F)ccc1NC(=O)c1ccnc(OCC(F)F)c1 FC(F)C[*:1] N#Cc1cc(F)ccc1NC(=O)c1ccnc(c1)O[*:1]
N#Cc1cc(F)ccc1NC(=O)c1ccnc(OCC(F)F)c1 FC(F)CO[*:1] N#Cc1cc(F)ccc1NC(=O)c1ccnc(c1)[*:1]
N#Cc1cc(F)ccc1NC(=O)c1ccnc(OCC(F)F)c1 FC(F)[*:1] N#Cc1cc(F)ccc1NC(=O)c1ccnc(c1)OC[*:1]
O=C(/C(=C\C=C\c1ccccc1)c1nc2ccccc2o1)c1cccnc1 O=C(c1cccnc1)[*:1] C(/C=C/c1ccccc1)=C(c1nc2ccccc2o1)[*:1]
O=C(/C(=C\C=C\c1ccccc1)c1nc2ccccc2o1)c1cccnc1 c1ccc(cc1)[*:1] O=C(/C(=C\C=C[*:1])c1nc2ccccc2o1)c1cccnc1
O=C(/C(=C\C=C\c1ccccc1)c1nc2ccccc2o1)c1cccnc1 C(=C[*:1])c1ccccc1 O=C(C(=C[*:1])c1nc2ccccc2o1)c1cccnc1
O=C(/C(=C\C=C\c1ccccc1)c1nc2ccccc2o1)c1cccnc1 c1cncc(c1)[*:1] O=C(/C(=C\C=C\c1ccccc1)c1nc2ccccc2o1)[*:1]
O=C(/C(=C\C=C\c1ccccc1)c1nc2ccccc2o1)c1cccnc1 c1ccc2oc(nc2c1)[*:1] O=C(/C(=C\C=C\c1ccccc1)[*:1])c1cccnc1
COc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)NC(=O)N[*:1]
COc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)N[C@H]1CC(=O)N(C1)[*:1]
O=C(NC1[NH+]=c2ccccc2=[NH+]1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC1[NH+]=c2ccccc2=[NH+]1)[C@H]1CC(=O)N(C1)[*:1]
C[C@H]([NH3+])[C@H]1CCCN(c2ccc(C(=O)N(C)C)nn2)C1 CN(C)C(=O)[*:1] C[C@H]([NH3+])[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C(=O)[O-] Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1])C(=O)[O-]
C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 c1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1nc(cs1)-c1ccc(F)cc1
O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(cs1)[*:1]
CN1CCO[C@H](C(=O)Nc2nc(C3CC3)cs2)C1 C1CC1[*:1] CN1CCO[C@@H](C1)C(=O)Nc1nc(cs1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(NC(=O)C2CC2)c1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)[C@H](C)Nc1cccc(c1)NC(=O)C1CC1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 Cc1ccc(cc1NC(=O)[C@H](C)Nc1cccc(c1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] Cc1ccc(cc1NC(=O)[C@H](C)Nc1cccc(c1)NC(=O)[*:1])[N+](=O)[O-]
COCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc(C)cn2)C1 COCC[*:1] Cc1cnc(cn1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc(C)cn2)C1 Cc1cnc(cn1)[*:1] COCCNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc(C)cn2)C1 COC[*:1] Cc1cnc(cn1)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
COCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc(C)cn2)C1 COCCNC(=O)[*:1] Cc1cnc(cn1)C(=O)N1CCC[C@H](C1)[*:1]
COc1ccc(N2c3nc4ccccc4nc3[C@H](c3nc4ccccc4[nH]3)[C@@H]2[NH3+])cc1 COc1ccc(cc1)[*:1] [NH3+][C@H]1[C@@H](c2nc3ccccc3[nH]2)c2nc3ccccc3nc2N1[*:1]
COc1ccc(N2c3nc4ccccc4nc3[C@H](c3nc4ccccc4[nH]3)[C@@H]2[NH3+])cc1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(cc1)N1c2nc3ccccc3nc2[C@H]([C@@H]1[NH3+])[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCC[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCCCc1ccc(Cl)cc1 Cc1n[nH]c(C)c1[*:1] O=C(NCCCc1ccc(Cl)cc1)N1CCC[C@H]1[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCCC[*:1]
O=C(CCc1cccnc1)N1CCC(CC(=O)N2CCCC2)CC1 c1cncc(c1)C[*:1] O=C(CC1CCN(CC1)C(=O)C[*:1])N1CCCC1
O=C(CCc1cccnc1)N1CCC(CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] O=C(CCc1cccnc1)N1CCC(CC1)C[*:1]
O=C(CCc1cccnc1)N1CCC(CC(=O)N2CCCC2)CC1 O=C(C[*:1])N1CCCC1 O=C(CCc1cccnc1)N1CCC(CC1)[*:1]
O=C(CCc1cccnc1)N1CCC(CC(=O)N2CCCC2)CC1 c1cncc(c1)[*:1] O=C(CC[*:1])N1CCC(CC1)CC(=O)N1CCCC1
O=C(CCc1cccnc1)N1CCC(CC(=O)N2CCCC2)CC1 c1cncc(c1)CC[*:1] O=C(CC1CCN(CC1)C(=O)[*:1])N1CCCC1
N#CCN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 N#CC[*:1] O=S(=O)(c1cccc(Br)c1)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)c(F)c1 C[C@@H](O)[*:1] Cc1ccc(C(=O)N[C@@H](C(=O)[O-])[*:1])c(F)c1
Cc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)c(F)c1 O=C([O-])[*:1] Cc1ccc(C(=O)N[C@@H]([C@@H](C)O)[*:1])c(F)c1
O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 C1CC1[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccc(Br)c(c1)[N+](=O)[O-]
O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)C(=O)NC1CC1)c1ccc(Br)c(c1)[*:1]
O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 O=C(NC1CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Br)c(c1)[N+](=O)[O-]
O=C(Cc1ccccc1)Nc1nc(CN2CCOCC2)cs1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1nc(cs1)CN1CCOCC1
O=C(Cc1ccccc1)Nc1nc(CN2CCOCC2)cs1 C1CN(CCO1)C[*:1] O=C(Cc1ccccc1)Nc1nc(cs1)[*:1]
O=C(Cc1ccccc1)Nc1nc(CN2CCOCC2)cs1 c1ccc(cc1)C[*:1] O=C(Nc1nc(cs1)CN1CCOCC1)[*:1]
O=C(Cc1ccccc1)Nc1nc(CN2CCOCC2)cs1 C1CN(CCO1)[*:1] O=C(Cc1ccccc1)Nc1nc(cs1)C[*:1]
CCc1cccc(NC(=O)[C@H](C)n2c3ccccc3c3nc(=O)cc(C)n32)c1 CCc1cccc(c1)[*:1] Cc1cc(=O)nc2c3ccccc3n([C@@H](C)C(=O)N[*:1])n12
Cc1noc(CCNC(=O)/C=C/c2cc(Br)cs2)n1 Cc1noc(n1)[*:1] O=C(/C=C/c1cc(Br)cs1)NCC[*:1]
Cc1noc(CCNC(=O)/C=C/c2cc(Br)cs2)n1 Brc1csc(c1)[*:1] Cc1noc(CCNC(=O)C=C[*:1])n1
Cc1cccc(C)c1NC(=O)CNC(=O)CCc1ncc(-c2c(F)cccc2F)o1 Fc1cccc(F)c1[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)CCc1ncc(o1)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)CCc1ncc(-c2c(F)cccc2F)o1 Cc1cccc(C)c1[*:1] O=C(CCc1ncc(o1)-c1c(F)cccc1F)NCC(=O)N[*:1]
N#Cc1ccccc1CSCCNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 N#Cc1ccccc1[*:1] O=C(NCCSC[*:1])N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
N#Cc1ccccc1CSCCNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] N#Cc1ccccc1CSCCNC(=O)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
N#Cc1ccccc1CSCCNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 N#Cc1ccccc1C[*:1] O=C(NCCS[*:1])N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
N#Cc1ccccc1CSCCNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 N#Cc1ccccc1CS[*:1] O=C(NCC[*:1])N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
COc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 O=C(N[*:1])C1CC1 COc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
COc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 C1CC1[*:1] COc1cccc(c1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1noc2nc(C3CCN(C(=O)CCn4cncn4)CC3)cc(C(F)F)c12 c1ncn(n1)[*:1] Cc1noc2nc(cc(c12)C(F)F)C1CCN(CC1)C(=O)CC[*:1]
Cc1noc2nc(C3CCN(C(=O)CCn4cncn4)CC3)cc(C(F)F)c12 c1ncn(CC[*:1])n1 Cc1noc2nc(cc(c12)C(F)F)C1CCN(CC1)C(=O)[*:1]
Cc1noc2nc(C3CCN(C(=O)CCn4cncn4)CC3)cc(C(F)F)c12 FC(F)[*:1] Cc1noc2nc(cc(c12)[*:1])C1CCN(CC1)C(=O)CCn1cncn1
Cc1noc2nc(C3CCN(C(=O)CCn4cncn4)CC3)cc(C(F)F)c12 c1ncn(C[*:1])n1 Cc1noc2nc(cc(c12)C(F)F)C1CCN(CC1)C(=O)C[*:1]
O=C(N[C@H]1CCOc2ccccc21)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] O=C(N[C@H]1CCOc2ccccc21)c1cnc(s1)[*:1]
CC(C)c1ccc(CN2CCN(C(=O)c3cn4cccnc4n3)CC2)cc1 c1cnc2nc(cn2c1)[*:1] CC(C)c1ccc(cc1)CN1CCN(CC1)C(=O)[*:1]
CC(C)c1ccc(CN2CCN(C(=O)c3cn4cccnc4n3)CC2)cc1 CC(C)[*:1] O=C(c1cn2cccnc2n1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CC(C)c1ccc(CN2CCN(C(=O)c3cn4cccnc4n3)CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(c1cn2cccnc2n1)N1CCN(CC1)C[*:1]
C=CCn1c(C)nn(C[NH+]2CCC(C)(C(=O)OCC)CC2)c1=S C=CC[*:1] CCOC(=O)C1(C)CC[NH+](CC1)Cn1nc(C)n(c1=S)[*:1]
C=CCn1c(C)nn(C[NH+]2CCC(C)(C(=O)OCC)CC2)c1=S CCOC(=O)[*:1] C=CCn1c(C)nn(C[NH+]2CCC(C)(CC2)[*:1])c1=S
Cn1cc(C(=O)N2CCC[NH+](CCC[NH3+])CC2)cn1 Cn1cc(cn1)[*:1] [NH3+]CCC[NH+]1CCCN(CC1)C(=O)[*:1]
O=c1[nH]c([O-])nc(C=Cc2c[nH]c3ccccc23)c1[N+](=O)[O-] O=[N+]([O-])[*:1] O=c1[nH]c([O-])nc(C=Cc2c[nH]c3ccccc23)c1[*:1]
COCCN(Cc1cccnc1)C(C)=O COC[*:1] CC(=O)N(Cc1cccnc1)C[*:1]
COCCN(Cc1cccnc1)C(C)=O COCC[*:1] CC(=O)N(Cc1cccnc1)[*:1]
Nn1c(=O)c2ccccc2n2c(SCC(=O)c3ccccc3)nnc12 c1ccc(cc1)[*:1] Nn1c(=O)c2ccccc2n2c(nnc12)SCC(=O)[*:1]
Nn1c(=O)c2ccccc2n2c(SCC(=O)c3ccccc3)nnc12 O=C(c1ccccc1)[*:1] Nn1c(=O)c2ccccc2n2c(nnc12)SC[*:1]
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C#N)CC[C@H]32)C1 CC(=O)O[*:1] C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@@]43C)[*:1])[C@H]1CC[C@H]2C#N
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)SCC4)cc2)c1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1ccc(cc1)-c1cn2CCSc2n1)c1cc(ccc1Cl)[*:1]
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)SCC4)cc2)c1 c1c(nc2SCCn12)[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
Cc1ccc(C)n1Nc1ccc([N+](=O)[O-])c2cnccc12 O=[N+]([O-])[*:1] Cc1ccc(C)n1Nc1ccc(c2cnccc12)[*:1]
CCOC(=O)c1cnn2c(C(=O)N3CCc4cc(C)ccc43)ccnc12 CCOC(=O)[*:1] Cc1ccc2c(c1)CCN2C(=O)c1ccnc2c(cnn12)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3ccncc3Cl)C2)c1 Clc1cnccc1[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3ccncc3Cl)C2)c1 CCOC(=O)[*:1] O=C(c1ccncc1Cl)N1CCC[C@H](C1)n1cc(cn1)[*:1]
C[C@@H](CC1CCCC1)C(=O)NNC(=O)c1cccn1C Cn1cccc1[*:1] C[C@@H](CC1CCCC1)C(=O)NNC(=O)[*:1]
C[C@@H](CC1CCCC1)C(=O)NNC(=O)c1cccn1C C1CCC(C1)C[*:1] C[C@@H](C(=O)NNC(=O)c1cccn1C)[*:1]
C[C@@H](CC1CCCC1)C(=O)NNC(=O)c1cccn1C C1CCC(C1)[*:1] C[C@@H](C[*:1])C(=O)NNC(=O)c1cccn1C
CC(C)n1cnc2nc(CSc3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc(=O)n21 CC(C)[*:1] O=C(Nc1ccc(cc1)SCc1cc(=O)n2c(ncn2[*:1])n1)c1cccc(Cl)c1
CC(C)n1cnc2nc(CSc3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc(=O)n21 Clc1cccc(c1)[*:1] CC(C)n1cnc2nc(cc(=O)n21)CSc1ccc(cc1)NC(=O)[*:1]
CC(C)n1cnc2nc(CSc3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc(=O)n21 O=C(N[*:1])c1cccc(Cl)c1 CC(C)n1cnc2nc(cc(=O)n21)CSc1ccc(cc1)[*:1]
C[NH+]1CCN(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)NC(=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
CC(C)(CCl)C(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 c1coc(c1)[*:1] CC(C)(CCl)C(=O)N1CCN(CC1)Cc1nc(cs1)[*:1]
CC(C)(CCl)C(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 CC(C)(CCl)[*:1] O=C(N1CCN(CC1)Cc1nc(cs1)-c1ccco1)[*:1]
O=C(Cc1ccccc1)CN1CC(=O)N2CCC[C@H]2C1=O c1ccc(cc1)[*:1] O=C(CN1CC(=O)N2CCC[C@H]2C1=O)C[*:1]
O=C(Cc1ccccc1)CN1CC(=O)N2CCC[C@H]2C1=O c1ccc(cc1)C[*:1] O=C1[C@@H]2CCCN2C(=O)CN1CC(=O)[*:1]
CCC[NH2+][C@H](Cc1ccc(C)cn1)[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] CCC[NH2+][C@H](Cc1ccc(C)cn1)[*:1]
CCC[NH2+][C@H](Cc1ccc(C)cn1)[C@@H]1CCCCO1 CCC[*:1] Cc1ccc(C[C@@H]([NH2+][*:1])[C@@H]2CCCCO2)nc1
O=C(Cn1cc(C(=O)N2C[C@@H]3CCC[C@H]3C2)cn1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cn1cc(cn1)C(=O)N1C[C@@H]2CCC[C@H]2C1)N[*:1]
CN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](c1nccs1)C1CC1 C1CC1[*:1] CN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](c1nccs1)[*:1]
CN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](c1nccs1)C1CC1 c1csc(n1)[*:1] CN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](C1CC1)[*:1]
[O-]/C(=C\Sc1nc2ncccc2n2cccc12)NCc1cccc(F)c1 Fc1cccc(c1)C[*:1] [O-]/C(=C\Sc1nc2ncccc2n2cccc12)N[*:1]
[O-]/C(=C\Sc1nc2ncccc2n2cccc12)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] [O-]/C(=C\Sc1nc2ncccc2n2cccc12)NC[*:1]
CCn1nc(C(=O)Nc2nnc(-c3cc(OC)ccc3OC)o2)cc1C CCn1nc(cc1C)[*:1] COc1ccc(OC)c(c1)-c1nnc(NC(=O)[*:1])o1
COc1ccc([C@H](C)NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1F FC(F)(F)[*:1] COc1ccc(cc1F)[C@H](C)NC(=O)N1CC[C@@](O)(C1)[*:1]
COc1cccc(-c2nc(CC(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)c1 COc1cccc(c1)[*:1] O=C(Cc1csc(n1)[*:1])N[C@@H]1CCS(=O)(=O)C1
CS(=O)(=O)[C@H]1CCC[C@@H](Oc2c(Cl)cc(Cl)cc2CO)C1 CS(=O)(=O)[*:1] OCc1cc(Cl)cc(Cl)c1O[C@@H]1CCC[C@@H](C1)[*:1]
O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)NCc1ccco1 c1ccc(cc1)[*:1] O=C(C[C@@H]1Cn2ncc(c2NC1=O)[*:1])NCc1ccco1
O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)N[*:1]
O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)NCc1ccco1 c1coc(c1)[*:1] O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)NC[*:1]
CC(C)[NH2+]C[C@@H]1CCO[C@H]1c1cc(Cl)cc(Cl)c1 CC(C)[*:1] Clc1cc(Cl)cc(c1)[C@@H]1OCC[C@H]1C[NH2+][*:1]
CC(C)(C)C1=C[C@H]([C@@H]2Nn3c(nnc3-c3ccccc3)S2)N=N1 c1ccc(cc1)[*:1] CC(C)(C)C1=C[C@@H](N=N1)[C@@H]1Nn2c(nnc2[*:1])S1
CC(C)(C)C1=C[C@H]([C@@H]2Nn3c(nnc3-c3ccccc3)S2)N=N1 CC(C)(C)[*:1] C1=C(N=N[C@H]1[C@@H]1Nn2c(nnc2-c2ccccc2)S1)[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1C CCNC(=O)[*:1] C[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[*:1]
COc1ccc2nc(NC(=O)CCCOc3cccc(Br)c3)sc2c1 Brc1cccc(c1)O[*:1] COc1ccc2nc(NC(=O)CCC[*:1])sc2c1
COc1ccc2nc(NC(=O)CCCOc3cccc(Br)c3)sc2c1 Brc1cccc(c1)[*:1] COc1ccc2nc(NC(=O)CCCO[*:1])sc2c1
Nc1nnc(CNC(=O)CSCc2ccc(Cl)cc2)s1 Nc1nnc(s1)[*:1] O=C(CSCc1ccc(Cl)cc1)NC[*:1]
CC[C@@H](CO)N1CCN([C@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1 Cc1cc(no1)[*:1] CC[C@@H](CO)N1CCN(CC1)[C@H](C(=O)N[*:1])c1ccccc1
CC[C@@H](CO)N1CCN([C@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1 Cc1cc(no1)NC(=O)[*:1] CC[C@@H](CO)N1CCN(CC1)[C@H](c1ccccc1)[*:1]
CC[C@@H](CO)N1CCN([C@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1 CC[C@@H](CO)[*:1] Cc1cc(no1)NC(=O)[C@H](c1ccccc1)N1CCN(CC1)[*:1]
CC[C@@H](CO)N1CCN([C@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@H](CO)N1CCN(CC1)[C@H](C(=O)Nc1cc(C)on1)[*:1]
Cc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 Cc1cccc(c1)C[*:1] O=C(Nc1ccc(Cl)c(c1)[N+](=O)[O-])C(=O)N[*:1]
Cc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)CNC(=O)C(=O)Nc1ccc(Cl)c(c1)[*:1]
Cc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(Cl)c(c1)[N+](=O)[O-]
CC[C@H](NC(=O)Nc1ccc(C)c(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)Nc1ccc(C)c(c1)NC(C)=O)c1cccc(c1)[*:1]
CC[C@H](NC(=O)Nc1ccc(C)c(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 CC(=O)N[*:1] CC[C@H](NC(=O)Nc1ccc(C)c(c1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)Nc1ccc(C)c(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC[C@H](NC(=O)Nc1ccc(C)c(c1)NC(C)=O)[*:1]
CCc1nn(C)cc1C(=O)NCc1ccc(OC2CCCCC2)cc1 C1CCC(CC1)O[*:1] CCc1nn(C)cc1C(=O)NCc1ccc(cc1)[*:1]
CCc1nn(C)cc1C(=O)NCc1ccc(OC2CCCCC2)cc1 CCc1nn(C)cc1[*:1] O=C(NCc1ccc(cc1)OC1CCCCC1)[*:1]
CCc1nn(C)cc1C(=O)NCc1ccc(OC2CCCCC2)cc1 C1CCC(CC1)[*:1] CCc1nn(C)cc1C(=O)NCc1ccc(cc1)O[*:1]
CNC(=O)c1cccc(OC(=O)CCNC(=O)C(C)(C)C)c1 CC(C)(C)[*:1] CNC(=O)c1cccc(c1)OC(=O)CCNC(=O)[*:1]
CNC(=O)c1cccc(OC(=O)CCNC(=O)C(C)(C)C)c1 CC(C)(C)C(=O)N[*:1] CNC(=O)c1cccc(c1)OC(=O)CC[*:1]
CNC(=O)c1cccc(OC(=O)CCNC(=O)C(C)(C)C)c1 CNC(=O)[*:1] CC(C)(C)C(=O)NCCC(=O)Oc1cccc(c1)[*:1]
CN(CCn1cnnc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F c1nncn1[*:1] CN(CC[*:1])C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F
CN(CCn1cnnc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F c1nncn1C[*:1] CN(C[*:1])C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F
CN(CCn1cnnc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CN(CCn1cnnc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1[*:1]
CN(CCn1cnnc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F c1nncn1CC[*:1] CN(C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[*:1]
CCOc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([S@@](=O)CC)C2)cc1F CCO[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NCc1ccc(c(F)c1)[*:1]
COc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)cc1C Fc1ccc(cc1)[*:1] COc1ccc(cc1C)S(=O)(=O)NCC1(CC1)[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(-n3cncn3)cc2)C1 c1ncn(n1)[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)c1ccc(cc1)[*:1]
Cc1n[nH]c(SCCC(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)n1 Cc1n[nH]c(n1)[*:1] C[C@H](NC(=O)CCS[*:1])C(=O)N1CCc2ccccc21
CCOC(=O)c1ccc(OC/C(N)=N/O)cc1 N/C(=N\O)[*:1] CCOC(=O)c1ccc(cc1)OC[*:1]
CCOC(=O)c1ccc(OC/C(N)=N/O)cc1 N/C(C[*:1])=N\O CCOC(=O)c1ccc(cc1)O[*:1]
CCOC(=O)c1ccc(OC/C(N)=N/O)cc1 CCOC(=O)[*:1] N/C(COc1ccc(cc1)[*:1])=N\O
Nc1cc(-c2nc3cc(-n4cnnc4)ccc3o2)ccc1Cl c1nncn1[*:1] Nc1cc(ccc1Cl)-c1nc2cc(ccc2o1)[*:1]
C[C@H](CCc1ccccc1)CC(=O)N1CCOC[C@@H]1C1CC1 c1ccc(cc1)C[*:1] C[C@@H](CC(=O)N1CCOC[C@@H]1C1CC1)C[*:1]
C[C@H](CCc1ccccc1)CC(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] C[C@H](CCc1ccccc1)CC(=O)N1CCOC[C@H]1[*:1]
C[C@H](CCc1ccccc1)CC(=O)N1CCOC[C@@H]1C1CC1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])CC(=O)N1CCOC[C@@H]1C1CC1
Cc1ccc(CNC(=O)C2CCN(C(=O)c3cnccn3)CC2)cc1F Cc1ccc(cc1F)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1cnccn1
Cc1ccc(CNC(=O)C2CCN(C(=O)c3cnccn3)CC2)cc1F c1cnc(cn1)[*:1] Cc1ccc(cc1F)CNC(=O)C1CCN(CC1)C(=O)[*:1]
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccccc1F)C2=O Fc1ccccc1[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NC[*:1])C2=O
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccccc1F)C2=O Fc1ccccc1C[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N[*:1])C2=O
C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)cc1 CS(=O)(=O)N[*:1] C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)CC[*:1])c1ccc(cc1)NS(C)(=O)=O
C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)cc1 Clc1ccc(cc1)C[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)NS(C)(=O)=O
O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)N1CCSCC1 C1CCC(C1)O[*:1] O=C(N[C@@H]1CCCC[C@@H]1[*:1])N1CCSCC1
O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)N1CCSCC1 C1CCC(C1)[*:1] O=C(N[C@@H]1CCCC[C@H]1O[*:1])N1CCSCC1
Cc1ccc(-c2ncco2)cc1NC(=O)N1CCOC(C)(C)C1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N1CCOC(C)(C)C1)[*:1]
Cc1csc(CC(=O)NNC(=O)CN2C[C@@H](C)OCC2(C)C)n1 Cc1csc(C[*:1])n1 C[C@@H]1CN(CC(=O)NNC(=O)[*:1])C(C)(C)CO1
Cc1csc(CC(=O)NNC(=O)CN2C[C@@H](C)OCC2(C)C)n1 Cc1csc(n1)[*:1] C[C@@H]1CN(CC(=O)NNC(=O)C[*:1])C(C)(C)CO1
Cc1ccc([C@H](NC(=O)Cc2ccccc2F)C2CC2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)[C@H](NC(=O)C[*:1])C1CC1
Cc1ccc([C@H](NC(=O)Cc2ccccc2F)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](NC(=O)Cc1ccccc1F)[*:1]
Cc1ccc([C@H](NC(=O)Cc2ccccc2F)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccccc1F)N[C@H](C1CC1)[*:1]
COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(Br)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1[*:1]
COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(Br)cc2C)cc1 Cc1cc(Br)ccc1[*:1] COc1ccc(cc1)[C@@H]1Nn2c(C)nnc2S[C@@H]1C(=O)N[*:1]
COCCN(C(=O)N[C@H]1C[C@@H]1c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] COCCN(C(=O)N[C@H]1C[C@@H]1c1ccccc1F)[*:1]
COCCN(C(=O)N[C@H]1C[C@@H]1c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] O=C(N[C@H]1C[C@@H]1c1ccccc1F)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COCCN(C(=O)N[C@H]1C[C@@H]1c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] COCCN(C(=O)N[C@H]1C[C@H]1[*:1])[C@@H]1CCS(=O)(=O)C1
COCCN(C(=O)N[C@H]1C[C@@H]1c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 COC[*:1] O=C(N[C@H]1C[C@@H]1c1ccccc1F)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCCNC(=O)C[C@@H](C)COC C#CC[*:1] COC[C@H](C)CC(=O)NC[*:1]
C#CCCNC(=O)C[C@@H](C)COC C#CCC[*:1] COC[C@H](C)CC(=O)N[*:1]
C#CCCNC(=O)C[C@@H](C)COC COC[*:1] C#CCCNC(=O)C[C@@H](C)[*:1]
CCc1nnc(C[NH+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1C CCc1nnc(n1C)[*:1] C[NH+](CCC1CCN(CC1)c1cc[nH+]cc1)C[*:1]
CCc1nnc(C[NH+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1C c1cc(cc[nH+]1)[*:1] CCc1nnc(C[NH+](C)CCC2CCN(CC2)[*:1])n1C
Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 Cc1noc(C)c1[*:1] C[C@H](C[*:1])NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
Cc1cccc(OC[C@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 Cc1cccc(c1)O[*:1] Cn1c(=O)c2c(ncn2C[C@@H](O)C[*:1])n(C)c1=O
Cc1cccc(OC[C@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 Cc1cccc(c1)[*:1] Cn1c(=O)c2c(ncn2C[C@@H](O)CO[*:1])n(C)c1=O
CC1(C)C[C@@H](n2c(=O)c3c4c(sc3n(CC(N)=O)c2=O)CCC4)CCO1 NC(=O)[*:1] CC1(C)C[C@H](CCO1)n1c(=O)c2c3CCCc3sc2n(C[*:1])c1=O
CC1(C)C[C@@H](n2c(=O)c3c4c(sc3n(CC(N)=O)c2=O)CCC4)CCO1 NC(=O)C[*:1] CC1(C)C[C@H](CCO1)n1c(=O)c2c3CCCc3sc2n(c1=O)[*:1]
CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] c1ccc2c(c[nH]c2c1)C[*:1] CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)N[C@H](C(=O)[O-])[*:1]
CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] c1ccc2c(c[nH]c2c1)[*:1] CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)N[C@H](C[*:1])C(=O)[O-]
CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] O=C([O-])[*:1] CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)[*:1]
COC(=O)c1cccc(CN2CC[NH2+][C@H](C)C2)c1 COC(=O)[*:1] C[C@@H]1CN(CC[NH2+]1)Cc1cccc(c1)[*:1]
COc1ccc2c(c1OC)C(=O)O[C@H]2NC(=O)N[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] COc1ccc2c(C(=O)O[C@H]2NC(=O)N[*:1])c1OC
COc1ccc2c(c1OC)C(=O)O[C@H]2NC(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc2c(C(=O)O[C@H]2NC(=O)N[C@@H](C)[*:1])c1OC
O=C(Nc1ccc(Oc2cccnc2)nc1)N[C@H]1CCCC[C@H]1O c1cncc(c1)O[*:1] O=C(Nc1ccc(nc1)[*:1])N[C@H]1CCCC[C@H]1O
O=C(Nc1ccc(Oc2cccnc2)nc1)N[C@H]1CCCC[C@H]1O c1cncc(c1)[*:1] O=C(Nc1ccc(nc1)O[*:1])N[C@H]1CCCC[C@H]1O
C[C@H](Nc1ccc(CO)cc1)C(=O)N(CCC#N)c1ccccc1 OCc1ccc(cc1)[*:1] C[C@H](N[*:1])C(=O)N(CCC#N)c1ccccc1
C[C@H](Nc1ccc(CO)cc1)C(=O)N(CCC#N)c1ccccc1 N#CC[*:1] C[C@H](Nc1ccc(cc1)CO)C(=O)N(C[*:1])c1ccccc1
C[C@H](Nc1ccc(CO)cc1)C(=O)N(CCC#N)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ccc(cc1)CO)C(=O)N(CCC#N)[*:1]
C[C@H](Nc1ccc(CO)cc1)C(=O)N(CCC#N)c1ccccc1 N#CCC[*:1] C[C@H](Nc1ccc(cc1)CO)C(=O)N(c1ccccc1)[*:1]
C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc2ccccc2n1 NC(=O)[*:1] C[C@@H]([NH2+]C[C@H]1CC[C@H](O1)[*:1])c1ccc2ccccc2n1
Cc1noc([C@H](NC(=O)NCC2(C)Cc3ccccc3C2)C(C)C)n1 Cc1noc(n1)[*:1] CC(C)[C@@H](NC(=O)NCC1(C)Cc2ccccc2C1)[*:1]
Cc1noc([C@H](NC(=O)NCC2(C)Cc3ccccc3C2)C(C)C)n1 CC(C)[*:1] Cc1noc(n1)[C@H](NC(=O)NCC1(C)Cc2ccccc2C1)[*:1]
O=C(NCCSCc1ccccc1F)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(NCCSCc1ccccc1F)N1CCN(CC1)[*:1]
O=C(NCCSCc1ccccc1F)N1CCN(c2ccccc2O)CC1 Fc1ccccc1CS[*:1] O=C(NCC[*:1])N1CCN(CC1)c1ccccc1O
O=C(NCCSCc1ccccc1F)N1CCN(c2ccccc2O)CC1 Fc1ccccc1C[*:1] O=C(NCCS[*:1])N1CCN(CC1)c1ccccc1O
O=C(NCCSCc1ccccc1F)N1CCN(c2ccccc2O)CC1 Fc1ccccc1[*:1] O=C(NCCSC[*:1])N1CCN(CC1)c1ccccc1O
O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 Clc1cc(c(Cl)s1)[*:1] O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(cs1)[*:1]
O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 O=S(=O)(c1ccccc1)[*:1] O=C(CCC[*:1])Nc1nc(cs1)-c1cc(Cl)sc1Cl
O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 c1ccc(cc1)[*:1] O=C(CCCS(=O)(=O)[*:1])Nc1nc(cs1)-c1cc(Cl)sc1Cl
CCOc1ccc(/C=C/C(=O)N[C@@H]2CC[C@@H](SC)C2)cc1 CCO[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)/C=C/c1ccc(cc1)[*:1]
C[C@H]1c2cccn2CCN1CC1=NC(=O)C2=C(c3ccco3)CSC2=N1 c1coc(c1)[*:1] C[C@H]1c2cccn2CCN1CC1=NC(=O)C2C(=N1)SCC=2[*:1]
COc1ccc(OC)c(NC(=O)C2CCN(c3nc4ccc(OC)cc4s3)CC2)c1 COc1ccc(OC)c(c1)[*:1] COc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N[*:1]
O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 c1csc(c1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])Nc1cccc(c1)[N+](=O)[O-]
O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N[*:1]
O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2cccs2)n1[*:1])Nc1cccc(c1)[N+](=O)[O-]
O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1cccc(c1)[*:1]
COCc1cc(=O)[nH]c(N2c3ccc(F)cc3CC[C@H]2C)n1 COC[*:1] C[C@@H]1CCc2cc(F)ccc2N1c1nc(cc(=O)[nH]1)[*:1]
COc1ccc(C)cc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O COc1ccccc1[*:1] COc1ccc(C)cc1NC(=O)CN(S(C)(=O)=O)[*:1]
COc1cccc(CSCC(=O)NC(=O)NC2CC2)c1 C1CC1[*:1] COc1cccc(c1)CSCC(=O)NC(=O)N[*:1]
COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)Nc2cc(cc(c2)[*:1])C(F)(F)F)C1=O
COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)cc1 COc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O)[*:1]
O=C(Cn1c(-c2ccco2)nc2ccccc21)N1CCCc2ccccc21 c1coc(c1)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCCc2ccccc21
COc1ccc(Cl)cc1C(=O)NCCNc1cc(-n2cc[nH+]c2C)ncn1 COc1ccc(Cl)cc1[*:1] Cc1[nH+]ccn1-c1cc(ncn1)NCCNC(=O)[*:1]
CCOc1ccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1 CCOc1ccc(cc1)[*:1] CC(C)(C)c1nnc2sc(nn2c1=O)SCC(=O)N[*:1]
CCOc1ccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1 CCO[*:1] CC(C)(C)c1nnc2sc(nn2c1=O)SCC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)NC(=O)CSc1nn2c(=O)c(nnc2s1)[*:1]
COc1c(Cl)cc(Cl)c(OC)c1C(=O)NC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] COc1c(Cl)cc(Cl)c(OC)c1C(=O)NC(=O)Nc1c(Cl)cc(cc1Cl)[*:1]
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CC[NH+](C)CC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@H](CNC(=O)C(=O)Nc1cccc(c1)[*:1])N1CC[NH+](C)CC1
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CC[NH+](C)CC2)cc1 Cc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)C(=O)Nc1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CC[NH+](C)CC2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)C(=O)N[*:1])N1CC[NH+](C)CC1
CCOC(=O)c1noc(N)c1-c1ccc(OC)cc1 CCOC(=O)[*:1] COc1ccc(cc1)-c1c(noc1N)[*:1]
O=C(Nc1ccccc1OCCOc1ccc(F)cc1)C1CC1 O=C(N[*:1])C1CC1 Fc1ccc(cc1)OCCOc1ccccc1[*:1]
O=C(Nc1ccccc1OCCOc1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1OCCO[*:1])C1CC1
O=C(Nc1ccccc1OCCOc1ccc(F)cc1)C1CC1 C1CC1[*:1] O=C(Nc1ccccc1OCCOc1ccc(F)cc1)[*:1]
C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CSCCS1 FC(F)(F)[*:1] C[NH2+][C@H](c1ccc(cc1)[*:1])[C@@H]1CSCCS1
Cc1cccc(CSCC(=O)Nc2ccc(C)c(F)c2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1F)NC(=O)CSC[*:1]
COCCC[C@@H]1CCCN(C(=O)c2sccc2N)C1 COC[*:1] Nc1ccsc1C(=O)N1CCC[C@@H](CC[*:1])C1
COCCC[C@@H]1CCCN(C(=O)c2sccc2N)C1 Nc1ccsc1[*:1] COCCC[C@@H]1CCCN(C1)C(=O)[*:1]
COCCC[C@@H]1CCCN(C(=O)c2sccc2N)C1 COCCC[*:1] Nc1ccsc1C(=O)N1CCC[C@H](C1)[*:1]
COCCC[C@@H]1CCCN(C(=O)c2sccc2N)C1 COCC[*:1] Nc1ccsc1C(=O)N1CCC[C@H](C1)C[*:1]
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1cccc(F)c1 Cc1ccc(cc1)S(=O)(=O)[*:1] CCOC(=O)C1=C(C[*:1])NC(=O)N[C@H]1c1cccc(F)c1
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1cccc(F)c1 CCOC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)CC1NC(=O)N[C@H](C=1[*:1])c1cccc(F)c1
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1[*:1]
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1cccc(F)c1 Cc1ccc(cc1)[*:1] CCOC(=O)C1=C(CS(=O)(=O)[*:1])NC(=O)N[C@H]1c1cccc(F)c1
O=C(Cc1ccc(-n2cccn2)cc1)Nc1cccc(CN2CCOC2=O)c1 O=C1OCCN1C[*:1] O=C(Cc1ccc(cc1)-n1cccn1)Nc1cccc(c1)[*:1]
O=C(Cc1ccc(-n2cccn2)cc1)Nc1cccc(CN2CCOC2=O)c1 c1cnn(c1)[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1cccc(c1)CN1CCOC1=O
O=C(Cc1ccc(-n2cccn2)cc1)Nc1cccc(CN2CCOC2=O)c1 O=C1OCCN1[*:1] O=C(Cc1ccc(cc1)-n1cccn1)Nc1cccc(c1)C[*:1]
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3F)C2)[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N1c2ccccc2NC2C[C@H](CC(=O)C=2[C@@H]1[*:1])c1ccccc1F
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3F)C2)[C@H]1c1ccc(C)cc1 Fc1ccccc1[*:1] CC(=O)N1c2ccccc2NC2C[C@@H](CC(=O)C=2[C@H]1c1ccc(C)cc1)[*:1]
S/C(=N\N=C\c1c(Cl)cccc1Cl)Nc1ccccc1 c1ccc(cc1)[*:1] S/C(=N\N=C\c1c(Cl)cccc1Cl)N[*:1]
COCCn1nc(C)c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)c1C Fc1cccc(c1)[*:1] COCCn1nc(C)c(NC(=O)[C@H]2C[C@@H]2[*:1])c1C
COCCn1nc(C)c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1
COCCn1nc(C)c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1)[*:1]
C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccco1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCN(C1)[*:1])c1ccco1
C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCN(C1)c1ccc(F)cc1)[*:1]
COc1ccsc1S(=O)(=O)N[C@@H](C)Cn1nc(C)cc1C Cc1cc(C)n(n1)[*:1] COc1ccsc1S(=O)(=O)N[C@@H](C)C[*:1]
COc1ccsc1S(=O)(=O)N[C@@H](C)Cn1nc(C)cc1C COc1ccsc1[*:1] Cc1cc(C)n(C[C@H](C)NS(=O)(=O)[*:1])n1
CCC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] CCC[*:1] COc1cc(C(=O)N[C@H](C)[*:1])c(cc1OC)[N+](=O)[O-]
CCC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCC[C@@H](C)NC(=O)c1cc(OC)c(cc1[*:1])OC
CCC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] CCC[C@@H](C)[*:1] COc1cc(C(=O)N[*:1])c(cc1OC)[N+](=O)[O-]
CCS[C@@H]1CCCCN(Cc2cnc(-c3cccnc3)s2)C1 c1cncc(c1)[*:1] CCS[C@@H]1CCCCN(Cc2cnc(s2)[*:1])C1
CCS[C@@H]1CCCCN(Cc2cnc(-c3cccnc3)s2)C1 CCS[*:1] c1cncc(c1)-c1ncc(CN2CCCC[C@H](C2)[*:1])s1
CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2F)cc1 CN(C)S(=O)(=O)[*:1] O=C(NNC(=O)c1ccccc1F)c1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)[*:1]
COc1cccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)[*:1])[C@@H](c1cccs1)N1CC[NH+](C)CC1
COc1cccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 c1csc(c1)[*:1] COc1cccc(c1)C(=O)N[C@@H](C)[C@@H](N1CC[NH+](C)CC1)[*:1]
Cc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CC=C(CC1)[*:1]
Cc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(N1CC=C(CC1)c1ccccc1)[*:1]
COCCCOc1nc(C(F)(F)F)ccc1C[NH3+] COC[*:1] [NH3+]Cc1ccc(nc1OCC[*:1])C(F)(F)F
COCCCOc1nc(C(F)(F)F)ccc1C[NH3+] COCC[*:1] [NH3+]Cc1ccc(nc1OC[*:1])C(F)(F)F
COCCCOc1nc(C(F)(F)F)ccc1C[NH3+] FC(F)(F)[*:1] COCCCOc1nc(ccc1C[NH3+])[*:1]
COCCCOc1nc(C(F)(F)F)ccc1C[NH3+] COCCC[*:1] [NH3+]Cc1ccc(nc1O[*:1])C(F)(F)F
COCCCOc1nc(C(F)(F)F)ccc1C[NH3+] COCCCO[*:1] [NH3+]Cc1ccc(nc1[*:1])C(F)(F)F
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] CCOC(=O)C1=C(N)OC2CC(C)(C)CC(=O)C=2[C@@H]1[*:1]
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc[nH]1 CCOC(=O)[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C([C@@H]2c1ccc[nH]1)[*:1]
COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1 COCC[*:1] O=C(C[C@H]1S/C(=N\c2ccc(Cl)cc2)N(C1=O)[*:1])Nc1ccccc1
COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1 COC[*:1] O=C(C[C@H]1S/C(=N\c2ccc(Cl)cc2)N(C[*:1])C1=O)Nc1ccccc1
COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1 c1ccc(cc1)[*:1] COCCN1C(=O)[C@@H](CC(=O)N[*:1])S/C1=N\c1ccc(Cl)cc1
COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=N[*:1]
COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1 O=C(Nc1ccccc1)[*:1] COCCN1C(=O)[C@@H](C[*:1])S/C1=N\c1ccc(Cl)cc1
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1/C(C(=O)C(=O)N1CC[NH+](C)C)=C(\O)[*:1]
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)/C(O)=C1\C(=O)C(=O)N(CC[NH+](C)C)[C@@H]1[*:1]
CNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 Cc1cccc(C)c1[*:1] CNS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)N[*:1]
CNS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2c(C)cccc2C)cc1 CNS(=O)(=O)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(cc1)[*:1]
CO[C@H](CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1)c1ccc(F)cc1 Cc1ccc(cc1Cl)[*:1] CO[C@H](CNC(=O)C(=O)N[*:1])c1ccc(F)cc1
CO[C@H](CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 c1coc(c1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)/C=C/c1ccc(cc1)S(=O)(=O)NC[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 c1coc(c1)C[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)/C=C/c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1n[nH]c(=S)n1CCNC(=O)/C=C/c1ccnc2ccccc12 Cc1n[nH]c(=S)n1C[*:1] O=C(/C=C/c1ccnc2ccccc12)NC[*:1]
Cc1n[nH]c(=S)n1CCNC(=O)/C=C/c1ccnc2ccccc12 Cc1n[nH]c(=S)n1[*:1] O=C(/C=C/c1ccnc2ccccc12)NCC[*:1]
O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1F Fc1ccc(cc1)[*:1] O=C(NCC[C@H]1CCCCN1S(=O)(=O)[*:1])C(=O)Nc1ccccc1F
O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)N[*:1]
O=C1C[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 Oc1cccc(c1)[*:1] O=C1C[C@H](C2C(=O)C[C@@H](CC=2N1)c1ccc(F)cc1)[*:1]
O=C1C[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](C2C(=O)C[C@H](CC=2N1)[*:1])c1cccc(O)c1
Cc1ccc(NC(=O)CN(C)c2nc(C(C)C)ns2)nc1 CC(C)[*:1] Cc1ccc(nc1)NC(=O)CN(C)c1nc(ns1)[*:1]
Cc1ccc(NC(=O)CN(C)c2nc(C(C)C)ns2)nc1 Cc1ccc(nc1)[*:1] CC(C)c1nsc(n1)N(C)CC(=O)N[*:1]
CC[C@H](C)N(C)C(=O)N[C@@H](C)Cc1ccc(C)cc1C CC[C@H](C)[*:1] Cc1ccc(C[C@H](C)NC(=O)N(C)[*:1])c(C)c1
Cc1ccc(CNC(=O)C2(C#N)CCCCC2)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)CO[*:1] Cc1ccc(CNC(=O)C2(C#N)CCCCC2)c(c1)[*:1]
Cc1ccc(CNC(=O)C2(C#N)CCCCC2)c(OC[C@@H]2CCOC2)c1 N#CC1(CCCCC1)[*:1] Cc1ccc(CNC(=O)[*:1])c(c1)OC[C@@H]1CCOC1
Cc1ccc(C(=O)N2CCN(C(=O)[C@H](C)Sc3ccccn3)CC2)cc1 c1ccc(nc1)S[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[C@H](C)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)[C@H](C)Sc3ccccn3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](Sc1ccccn1)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)[C@H](C)Sc3ccccn3)CC2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[C@H](C)S[*:1]
N#CCc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 N#CC[*:1] O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(cc1)[*:1]
CCOc1cc2c(cc1NC(=O)Cn1cnc3c(cnn3C)c1=O)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)NC(=O)Cn1cnc2c(cnn2C)c1=O)[*:1]
CCOc1ccc(NC(=O)[C@H](CC)N2C(=O)c3ccccc3C2=O)cc1 CCO[*:1] CC[C@@H](C(=O)Nc1ccc(cc1)[*:1])N1C(=O)c2ccccc2C1=O
CN(CC1CC1)C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O C1CC1[*:1] CN(C[*:1])C(=O)CN1C(=O)N[C@@](C)(C1=O)c1cc2ccccc2o1
CN(CC1CC1)C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O C1CC1C[*:1] CN(C(=O)CN1C(=O)N[C@@](C)(C1=O)c1cc2ccccc2o1)[*:1]
CN(CC1CC1)C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O CN(CC1CC1)C(=O)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1cc2ccccc2o1
N/C(=N\OC(=O)c1cccc(Br)c1)c1ccncc1 c1cc(ccn1)[*:1] N/C(=N\OC(=O)c1cccc(Br)c1)[*:1]
Cc1ccc(CNC(=O)[C@@H]2C[C@@H](n3cnnn3)CN2Cc2ccccc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1C[C@H](CN1Cc1ccccc1Cl)n1cnnn1
Cc1ccc(CNC(=O)[C@@H]2C[C@@H](n3cnnn3)CN2Cc2ccccc2Cl)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)CNC(=O)[C@@H]1C[C@H](CN1C[*:1])n1cnnn1
Cc1ccc(CNC(=O)[C@@H]2C[C@@H](n3cnnn3)CN2Cc2ccccc2Cl)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1C[C@H](CN1Cc1ccccc1Cl)n1cnnn1
Cc1ccc(CNC(=O)[C@@H]2C[C@@H](n3cnnn3)CN2Cc2ccccc2Cl)cc1 Clc1ccccc1C[*:1] Cc1ccc(cc1)CNC(=O)[C@@H]1C[C@H](CN1[*:1])n1cnnn1
Cc1ccc(CNC(=O)[C@@H]2C[C@@H](n3cnnn3)CN2Cc2ccccc2Cl)cc1 c1nnnn1[*:1] Cc1ccc(cc1)CNC(=O)[C@@H]1C[C@@H](CN1Cc1ccccc1Cl)[*:1]
O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(-n2cnnn2)c1 O=S(=O)(C1CCCC1)[*:1] O=C(CC[*:1])Nc1cccc(c1)-n1cnnn1
O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(-n2cnnn2)c1 C1CCC(C1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1cccc(c1)-n1cnnn1
O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(c1)[*:1]
CSc1ncc2c(=O)oc(=O)n(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] CSc1ncc2c(=O)oc(=O)n(c2n1)[*:1]
CC[NH+]1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1 c1ccc(cc1)[*:1] CC[NH+]1CCc2nc([nH]c(=O)c2C1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(C(F)(F)F)cc2)c1C FC(F)(F)[*:1] CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(cc2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(C(F)(F)F)cc2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)COc2ccc(cc2)C(F)(F)F)c(C)c1[*:1]
CN(C)S(=O)(=O)N1CCC(c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 FC(F)(F)[*:1] CN(C)S(=O)(=O)N1CCC(CC1)c1cc(c2c(=O)n(C)c(=O)n(C)c2n1)[*:1]
CCCN(CC(F)F)C(=O)N[C@@H]1CC[C@H](SC)C1 FC(F)[*:1] CCCN(C[*:1])C(=O)N[C@@H]1CC[C@@H](C1)SC
CCCN(CC(F)F)C(=O)N[C@@H]1CC[C@H](SC)C1 CCC[*:1] CS[C@H]1CC[C@H](C1)NC(=O)N(CC(F)F)[*:1]
CCCN(CC(F)F)C(=O)N[C@@H]1CC[C@H](SC)C1 FC(F)C[*:1] CCCN(C(=O)N[C@@H]1CC[C@@H](C1)SC)[*:1]
COC(=O)C[C@H](C)SCc1ccccc1[N+](=O)[O-] COC(=O)[*:1] C[C@@H](C[*:1])SCc1ccccc1[N+](=O)[O-]
COC(=O)C[C@H](C)SCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)C[C@H](C)SCc1ccccc1[*:1]
COC(=O)C[C@H](C)SCc1ccccc1[N+](=O)[O-] COC(=O)C[*:1] C[C@H](SCc1ccccc1[N+](=O)[O-])[*:1]
Cc1c(NC2=NCCS2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC2=NCCS2)c(=O)n(n1C)[*:1]
O=C(COc1ccc(F)cc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(COc1ccc(F)cc1)N1CCN(CC1)c1cc(c(F)cc1[*:1])N1CCCCC1
O=C(COc1ccc(F)cc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 Fc1ccc(cc1)OC[*:1] O=C(N1CCN(CC1)c1cc(c(F)cc1[N+](=O)[O-])N1CCCCC1)[*:1]
O=C(COc1ccc(F)cc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 Fc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)c1cc(c(F)cc1[N+](=O)[O-])N1CCCCC1
O=C(COc1ccc(F)cc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 C1CCN(CC1)[*:1] O=C(COc1ccc(F)cc1)N1CCN(CC1)c1cc(c(F)cc1[N+](=O)[O-])[*:1]
O=C(COc1ccc(F)cc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 Fc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1cc(c(F)cc1[N+](=O)[O-])N1CCCCC1
O=C(COc1ccc(Cl)cc1Br)Nc1cccc(C(=O)N2CCCCC2)c1 Clc1ccc(c(Br)c1)[*:1] O=C(CO[*:1])Nc1cccc(c1)C(=O)N1CCCCC1
O=C(COc1ccc(Cl)cc1Br)Nc1cccc(C(=O)N2CCCCC2)c1 Clc1ccc(O[*:1])c(Br)c1 O=C(C[*:1])Nc1cccc(c1)C(=O)N1CCCCC1
O=C(COc1ccc(Cl)cc1Br)Nc1cccc(C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] O=C(COc1ccc(Cl)cc1Br)Nc1cccc(c1)[*:1]
CCCN1C(=O)C([O-])=C(C(C)=O)[C@H]1c1ccccc1 CC(=O)[*:1] CCCN1C(=O)C([O-])=C([C@H]1c1ccccc1)[*:1]
CCCN1C(=O)C([O-])=C(C(C)=O)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCCN1C(=O)C([O-])=C(C(C)=O)[C@@H]1[*:1]
CCCN1C(=O)C([O-])=C(C(C)=O)[C@H]1c1ccccc1 CCC[*:1] CC(=O)C1=C([O-])C(=O)N([C@@H]1c1ccccc1)[*:1]
O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CCn1cnc2c(cnn2[*:1])c1=O)N1CCOCC1
O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=c1c2cnn(-c3ccccc3)c2ncn1CC[*:1]
O=C(NCCc1csc(N2CCCC2)n1)NC[C@@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1csc(n1)N1CCCC1)NC[C@@H]1C[C@H]1[*:1]
O=C(NCCc1csc(N2CCCC2)n1)NC[C@@H]1C[C@@H]1c1ccccc1 C1CCN(C1)[*:1] O=C(NCCc1csc(n1)[*:1])NC[C@@H]1C[C@@H]1c1ccccc1
NC(=O)[C@H](c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl c1ccc(cc1)S[*:1] NC(=O)[C@H](c1ccc(nn1)[*:1])c1ccc(Cl)cc1Cl
NC(=O)[C@H](c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] NC(=O)[C@H](c1ccc(nn1)Sc1ccccc1)[*:1]
NC(=O)[C@H](c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl NC(=O)[*:1] Clc1ccc(c(Cl)c1)[C@@H](c1ccc(nn1)Sc1ccccc1)[*:1]
NC(=O)[C@H](c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] NC(=O)[C@H](c1ccc(nn1)S[*:1])c1ccc(Cl)cc1Cl
O=C(NCc1ccccn1)c1ccc2c(c1)ncn2C1CCCCC1 c1ccc(nc1)[*:1] O=C(NC[*:1])c1ccc2c(c1)ncn2C1CCCCC1
O=C(NCc1ccccn1)c1ccc2c(c1)ncn2C1CCCCC1 c1ccc(C[*:1])nc1 O=C(N[*:1])c1ccc2c(c1)ncn2C1CCCCC1
O=C(NCc1ccccn1)c1ccc2c(c1)ncn2C1CCCCC1 C1CCC(CC1)[*:1] O=C(NCc1ccccn1)c1ccc2c(c1)ncn2[*:1]
CN(CCCc1ccccc1)C(=O)c1[nH]ncc1Br Brc1cn[nH]c1[*:1] CN(CCCc1ccccc1)C(=O)[*:1]
CN(CCCc1ccccc1)C(=O)c1[nH]ncc1Br c1ccc(cc1)[*:1] CN(CCC[*:1])C(=O)c1[nH]ncc1Br
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(COC(=O)c1cccc(c1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1cccc(c1)[*:1]
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 O=C(c1cccc(c1)[N+](=O)[O-])[*:1] O=C(OC[*:1])c1cccc(c1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(OCC(=O)[*:1])c1cccc(c1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O
CCc1cc(=O)n(CC(=O)N(CC)c2ccccc2)c(-c2cccc(Cl)c2)n1 c1ccc(cc1)[*:1] CCc1cc(=O)n(CC(=O)N(CC)[*:1])c(n1)-c1cccc(Cl)c1
CCc1cc(=O)n(CC(=O)N(CC)c2ccccc2)c(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CCc1cc(=O)n(CC(=O)N(CC)c2ccccc2)c(n1)[*:1]
CC(C)CCS(=O)(=O)[C@@H](C)C(=O)Nc1c(F)cccc1F CC(C)[*:1] C[C@@H](C(=O)Nc1c(F)cccc1F)S(=O)(=O)CC[*:1]
CC(C)CCS(=O)(=O)[C@@H](C)C(=O)Nc1c(F)cccc1F CC(C)C[*:1] C[C@@H](C(=O)Nc1c(F)cccc1F)S(=O)(=O)C[*:1]
CC(C)CCS(=O)(=O)[C@@H](C)C(=O)Nc1c(F)cccc1F CC(C)CC[*:1] C[C@@H](C(=O)Nc1c(F)cccc1F)S(=O)(=O)[*:1]
COc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3cc(OC)ccc3OC)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CC(=NN1C(=O)C(C)C)[*:1]
COc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3cc(OC)ccc3OC)C2)cc1 CC(C)[*:1] COc1ccc(cc1)C1C[C@@H](c2cc(ccc2OC)OC)N(N=1)C(=O)[*:1]
CC(C)Cn1nccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 CC(C)[*:1] O=C(Nc1ccnn1C[*:1])c1ccc(cc1)NC(=O)c1cccs1
CC(C)Cn1nccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] CC(C)Cn1nccc1NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)Cn1nccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 O=C(N[*:1])c1cccs1 CC(C)Cn1nccc1NC(=O)c1ccc(cc1)[*:1]
CC(C)Cn1nccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 CC(C)C[*:1] O=C(Nc1ccnn1[*:1])c1ccc(cc1)NC(=O)c1cccs1
CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1 CC[C@H](C#N)O[*:1] c1cc(cc(c1)[*:1])C[NH2+][C@H]1CCCOc2cc3CCCc3cc21
CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1 CC[C@H](C#N)[*:1] c1cc(cc(c1)O[*:1])C[NH2+][C@H]1CCCOc2cc3CCCc3cc21
CC(C)c1ccc(CN(C)C(=O)CNC(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] CC(C)c1ccc(cc1)CN(C)C(=O)CNC(=O)NC[*:1]
CC(C)c1ccc(CN(C)C(=O)CNC(=O)NCc2ccco2)cc1 CC(C)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)CNC(=O)NCc1ccco1
CC(C)c1ccc(CN(C)C(=O)CNC(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] CC(C)c1ccc(cc1)CN(C)C(=O)CNC(=O)N[*:1]
CC[C@@H](NC(=O)C[C@@H](O)c1cccc(F)c1)c1c(C)nn(C)c1C Fc1cccc(c1)[*:1] CC[C@@H](NC(=O)C[C@@H](O)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)C[C@@H](O)c1cccc(F)c1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)C[C@@H](O)c1cccc(F)c1)[*:1]
N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(Cc3cccs3)CC2)cc1 N#Cc1ccc(cc1)C[*:1] O=C(c1ccccc1S[*:1])N1CCN(CC1)Cc1cccs1
N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(Cc3cccs3)CC2)cc1 N#Cc1ccc(cc1)CS[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)Cc1cccs1
N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(Cc3cccs3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(c1ccccc1SC[*:1])N1CCN(CC1)Cc1cccs1
N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(Cc3cccs3)CC2)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)CSc1ccccc1C(=O)N1CCN(CC1)C[*:1]
N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(Cc3cccs3)CC2)cc1 c1csc(c1)C[*:1] N#Cc1ccc(cc1)CSc1ccccc1C(=O)N1CCN(CC1)[*:1]
C#CCN(CC#C)C(=O)Cc1ccc(Br)s1 C#CC[*:1] C#CCN(C(=O)Cc1ccc(Br)s1)[*:1]
C[C@H]([NH2+]C[C@@H](O)C1CCCC1)c1ccc(OC(F)F)cc1 C1CCC(C1)[*:1] C[C@H]([NH2+]C[C@@H](O)[*:1])c1ccc(cc1)OC(F)F
C[C@H]([NH2+]C[C@@H](O)C1CCCC1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H]([NH2+]C[C@@H](O)C1CCCC1)c1ccc(cc1)[*:1]
C[C@H]([NH2+]C[C@@H](O)C1CCCC1)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H]([NH2+]C[C@@H](O)C1CCCC1)c1ccc(cc1)O[*:1]
C[C@H]([NH2+]C[C@@H](O)C1CCCC1)c1ccc(OC(F)F)cc1 O[C@@H](C1CCCC1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(cc1)OC(F)F
NC(=O)c1noc(Cn2ccnc2-c2cccc3c2oc2ccccc23)n1 NC(=O)c1noc(n1)[*:1] c1ccc2c(c1)oc1c(cccc12)-c1nccn1C[*:1]
NC(=O)c1noc(Cn2ccnc2-c2cccc3c2oc2ccccc23)n1 NC(=O)[*:1] c1ccc2c(c1)oc1c(cccc12)-c1nccn1Cc1nc(no1)[*:1]
NC(=O)c1noc(Cn2ccnc2-c2cccc3c2oc2ccccc23)n1 NC(=O)c1noc(C[*:1])n1 c1ccc2c(c1)oc1c(cccc12)-c1nccn1[*:1]
CCC[NH2+][C@H](Cc1ccc(O)cc1)[C@@H]1CCCOC1 CCC[*:1] Oc1ccc(cc1)C[C@@H]([NH2+][*:1])[C@@H]1CCCOC1
CCC[NH2+][C@H](Cc1ccc(O)cc1)[C@@H]1CCCOC1 C1COC[C@@H](C1)[*:1] CCC[NH2+][C@H](Cc1ccc(O)cc1)[*:1]
COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(cc1[*:1])C(C)=O
COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] CC(=O)[*:1] COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(cc1[N+](=O)[O-])[*:1]
COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] COc1ccc(Cl)cc1[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)CC(=O)N[*:1]
C[C@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 c1ccc(cc1)[*:1] C[C@H]([C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1)[*:1]
C[C@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1CC[*:1]
C[C@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
C[C@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 C[C@H](c1ccccc1)[*:1] O=C1c2ccccc2N[C@@H](N1CCc1ccccc1)[*:1]
C[C@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 c1ccc(cc1)CC[*:1] C[C@H](c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1[*:1]
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC1C2CC3CC(C2)CC1C3 C1CN(CCO1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)NC1C2CC3CC(C2)CC1C3)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)c1ccc(nc1)C(F)(F)F
CC(=O)Nc1c(C)cc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1C FC(F)(F)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)c1ccc(nc1)[*:1]
Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)no1 O=[N+]([O-])[*:1] Cc1cc(no1)NC(=O)[C@@H](C)OC(=O)c1cccc(c1)[*:1]
Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)no1 Cc1cc(no1)[*:1] C[C@@H](OC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc3[nH]ccc3c2)C1 CC(C)C[*:1] O=C(Nc1ccc2[nH]ccc2c1)N1CC[C@@H](C1)OC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc3[nH]ccc3c2)C1 CC(C)CC[*:1] O=C(Nc1ccc2[nH]ccc2c1)N1CC[C@@H](C1)O[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc3[nH]ccc3c2)C1 CC(C)[*:1] O=C(Nc1ccc2[nH]ccc2c1)N1CC[C@@H](C1)OCC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)Nc2ccc3[nH]ccc3c2)C1 CC(C)CCO[*:1] O=C(Nc1ccc2[nH]ccc2c1)N1CC[C@@H](C1)[*:1]
O=C(NC1CC1)c1cccc(OC[C@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1 O=C(NC1CC1)[*:1] O=C(c1cc(F)ccc1F)N1CCC[C@H](COc2cccc(c2)[*:1])C1
O=C(NC1CC1)c1cccc(OC[C@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1 C1CC1[*:1] O=C(N[*:1])c1cccc(c1)OC[C@H]1CCCN(C1)C(=O)c1cc(F)ccc1F
O=C(NC1CC1)c1cccc(OC[C@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1 Fc1ccc(F)c(c1)[*:1] O=C(NC1CC1)c1cccc(c1)OC[C@H]1CCCN(C1)C(=O)[*:1]
O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(Cc2cccc(Cl)c2)s1 Clc1cccc(c1)C[*:1] O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(s1)[*:1]
O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(Cc2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(C[*:1])s1
O=C(CSc1nnnn1-c1ccccc1)Nc1ncc(Cc2cccc(Cl)c2)s1 c1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])Nc1ncc(Cc2cccc(Cl)c2)s1
CC(C)CNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2 CC(C)(C)[*:1] CC(C)CNC(=O)NC(=O)COC(=O)c1c2C[C@@H](CCc2nc2ccccc12)[*:1]
CC(C)CNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2 CC(C)CNC(=O)NC(=O)[*:1] CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OC[*:1])c2C1
CC(C)CNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2 CC(C)C[*:1] CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC(=O)N[*:1])c2C1
CC(C)CNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2 CC(C)[*:1] CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC(=O)NC[*:1])c2C1
COCc1cccc(C(=O)Nc2ccc(CC(N)=O)cc2)c1 NC(=O)C[*:1] COCc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
COCc1cccc(C(=O)Nc2ccc(CC(N)=O)cc2)c1 COC[*:1] NC(=O)Cc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
COCc1cccc(C(=O)Nc2ccc(CC(N)=O)cc2)c1 NC(=O)[*:1] COCc1cccc(c1)C(=O)Nc1ccc(cc1)C[*:1]
CN1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 Fc1ccc(cc1)C[*:1] CN1CCN(CC1)C(=O)C1CC[NH+](CC1)Cc1cc2ccccc2n1[*:1]
CN1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 CN1CCN(CC1)C(=O)[*:1] Fc1ccc(cc1)Cn1c(cc2ccccc21)C[NH+]1CCC(CC1)[*:1]
CN1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 Fc1ccc(cc1)[*:1] CN1CCN(CC1)C(=O)C1CC[NH+](CC1)Cc1cc2ccccc2n1C[*:1]
CC(C)[C@H](C)[NH2+][C@H](C)[C@@H](C)O CC(C)[*:1] C[C@H]([NH2+][C@H](C)[C@@H](C)O)[*:1]
CC(C)[C@H](C)[NH2+][C@H](C)[C@@H](C)O C[C@@H](O)[*:1] CC(C)[C@H](C)[NH2+][C@H](C)[*:1]
O=C1CCCCN1c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] O=C1CCCCN1c1cccc(c1)NS(=O)(=O)[*:1]
O=C1CCCCN1c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 O=C1CCCCN1[*:1] O=S(=O)(Nc1cccc(c1)[*:1])c1cccc(F)c1
O=[N+]([O-])c1cc(F)cc(Oc2nnc(-c3ccccc3)s2)c1 O=[N+]([O-])[*:1] Fc1cc(cc(c1)[*:1])Oc1nnc(s1)-c1ccccc1
O=[N+]([O-])c1cc(F)cc(Oc2nnc(-c3ccccc3)s2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(F)cc(c1)Oc1nnc(s1)[*:1]
CCn1cc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cn1 FC(F)O[*:1] CCn1cc(cn1)C(=O)N(C)Cc1ccc(cc1)[*:1]
CCn1cc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cn1 FC(F)[*:1] CCn1cc(cn1)C(=O)N(C)Cc1ccc(cc1)O[*:1]
CCn1cc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cn1 CCn1cc(cn1)[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)[*:1]
COc1ccc(-c2csc(NC(=O)CSc3ccc(NC(C)=O)cc3)n2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)SCC(=O)Nc1nc(cs1)[*:1]
COc1ccc(-c2csc(NC(=O)CSc3ccc(NC(C)=O)cc3)n2)cc1 CC(=O)N[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)CSc1ccc(cc1)[*:1]
C[C@@H](CCc1ccco1)[NH2+]Cc1ncccc1F c1coc(c1)C[*:1] C[C@@H](C[*:1])[NH2+]Cc1ncccc1F
C[C@@H](CCc1ccco1)[NH2+]Cc1ncccc1F c1coc(c1)[*:1] C[C@@H](CC[*:1])[NH2+]Cc1ncccc1F
COc1cc2c(cc1OC)CN(C(=O)Nc1cccc(C(=O)NCc3ccc4c(c3)OCO4)c1)CC2 c1cc2OCOc2cc1C[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)Nc1cccc(c1)C(=O)N[*:1]
COc1cc2c(cc1OC)CN(C(=O)Nc1cccc(C(=O)NCc3ccc4c(c3)OCO4)c1)CC2 c1cc2OCOc2cc1[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)Nc1cccc(c1)C(=O)NC[*:1]
CCCC[C@@H](CC)[C@H]1OC[C@@H](C[NH+]2CCCCC2)O1 CCCC[*:1] CC[C@@H]([C@H]1OC[C@@H](C[NH+]2CCCCC2)O1)[*:1]
CCCC[C@@H](CC)[C@H]1OC[C@@H](C[NH+]2CCCCC2)O1 CCC[*:1] CC[C@H](C[*:1])[C@H]1OC[C@@H](C[NH+]2CCCCC2)O1
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)[C@@H](c1ccccc1)[*:1]
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)[C@@H](C1CC1)[*:1]
Cc1cc(NC(=O)c2ccoc2)nc(C(C)C)n1 c1cc(co1)[*:1] Cc1cc(nc(n1)C(C)C)NC(=O)[*:1]
Cc1cc(NC(=O)c2ccoc2)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])NC(=O)c1ccoc1
CC(C)=C[C@H]1[C@@H](C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1(C)C CC(C)=C[*:1] C[C@H](CNC(=O)[C@@H]1[C@@H](C1(C)C)[*:1])CN1CC[NH+](C)CC1
C#CCNc1cc(S(=O)(=O)N2CCCCC2)ccc1OC C#CCN[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1CCCCC1
C#CCNc1cc(S(=O)(=O)N2CCCCC2)ccc1OC C#CC[*:1] COc1ccc(cc1N[*:1])S(=O)(=O)N1CCCCC1
CCC[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OC)c(C)c1 CCC[*:1] COc1ccc(cc1C)NC(=O)C(=O)N[C@H]1C[C@@H]1[*:1]
CC#CCn1cnc2cccc(Br)c2c1=O CC#C[*:1] O=c1c2c(Br)cccc2ncn1C[*:1]
CC#CCn1cnc2cccc(Br)c2c1=O CC#CC[*:1] O=c1c2c(Br)cccc2ncn1[*:1]
COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(=O)N2CCCc3ccccc32)cc1OC COc1ccc(cc1OC)[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)N1CCCc2ccccc21
COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(=O)N2CCCc3ccccc32)cc1OC O=C(N1CCCc2ccccc21)[*:1] COc1ccc(cc1OC)C(=O)N[C@H](C)c1nc2ccccc2n1C[*:1]
CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccnc1 c1cncc(c1)[*:1] CC[C@H](Oc1ccc(cc1)-c1ccccc1)C(=O)NC[*:1]
CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccnc1 c1ccc(cc1)[*:1] CC[C@H](Oc1ccc(cc1)[*:1])C(=O)NCc1cccnc1
CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] CC[C@H](Oc1ccc(cc1)-c1ccccc1)C(=O)N[*:1]
Cc1cc(S(=O)(=O)N2CC(CC(=O)[O-])C2)sc1Br O=C([O-])C[*:1] Cc1cc(sc1Br)S(=O)(=O)N1CC(C1)[*:1]
Cc1cc(S(=O)(=O)N2CC(CC(=O)[O-])C2)sc1Br O=C([O-])[*:1] Cc1cc(sc1Br)S(=O)(=O)N1CC(C1)C[*:1]
Cc1ccc([C@@H]2C[NH+]=C(N)N2C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]1C[NH+]=C(N)N1[*:1]
C=C(C)[C@H](O)c1csc2ccccc12 C=C(C)[*:1] O[C@H](c1csc2ccccc12)[*:1]
COCC(=O)N1CCN(c2nc3ccccc3o2)CC1 COC[*:1] O=C(N1CCN(CC1)c1nc2ccccc2o1)[*:1]
N#CCCCOc1cccc(NC(=O)C[C@H]2CCCO2)c1 N#CCC[*:1] O=C(C[C@H]1CCCO1)Nc1cccc(c1)OC[*:1]
N#CCCCOc1cccc(NC(=O)C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] N#CCCCOc1cccc(c1)NC(=O)[*:1]
N#CCCCOc1cccc(NC(=O)C[C@H]2CCCO2)c1 N#CCCCO[*:1] O=C(C[C@H]1CCCO1)Nc1cccc(c1)[*:1]
N#CCCCOc1cccc(NC(=O)C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] N#CCCCOc1cccc(c1)NC(=O)C[*:1]
N#CCCCOc1cccc(NC(=O)C[C@H]2CCCO2)c1 N#CC[*:1] O=C(C[C@H]1CCCO1)Nc1cccc(c1)OCC[*:1]
N#CCCCOc1cccc(NC(=O)C[C@H]2CCCO2)c1 N#CCCC[*:1] O=C(C[C@H]1CCCO1)Nc1cccc(c1)O[*:1]
CC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1C=O CC(=O)[*:1] O=Cc1c(ccc2ccccc12)OCC(=O)Nc1ccccc1[*:1]
CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCNC(=O)C2)[C@@H]3C1=O CC(C)(C)C[*:1] O=C1CN(CCN1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
CC(C)(C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCNC(=O)C2)[C@@H]3C1=O CC(C)(C)[*:1] O=C1CN(CCN1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@@H]13)O2
c1ccc2c(c1)SCC[C@H]2[NH2+]Cc1ccc(COC2CCOCC2)cc1 C1CC(CCO1)O[*:1] c1ccc2c(c1)SCC[C@H]2[NH2+]Cc1ccc(cc1)C[*:1]
c1ccc2c(c1)SCC[C@H]2[NH2+]Cc1ccc(COC2CCOCC2)cc1 C1CC(CCO1)[*:1] c1ccc2c(c1)SCC[C@H]2[NH2+]Cc1ccc(cc1)CO[*:1]
c1ccc2c(c1)SCC[C@H]2[NH2+]Cc1ccc(COC2CCOCC2)cc1 C1CC(CCO1)OC[*:1] c1ccc2c(c1)SCC[C@H]2[NH2+]Cc1ccc(cc1)[*:1]
COCCNC(=O)[C@H](C)N1CCc2cc(Br)sc2C1 COCC[*:1] C[C@@H](C(=O)N[*:1])N1CCc2cc(Br)sc2C1
COCCNC(=O)[C@H](C)N1CCc2cc(Br)sc2C1 COC[*:1] C[C@@H](C(=O)NC[*:1])N1CCc2cc(Br)sc2C1
C[C@@H]1CN(C(=O)c2cccc[n+]2[O-])[C@H](C)CN1C(=O)OC(C)(C)C [O-][n+]1ccccc1[*:1] C[C@@H]1CN(C(=O)[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
C[C@@H]1CN(C(=O)c2cccc[n+]2[O-])[C@H](C)CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H]1CN(C(=O)c2cccc[n+]2[O-])[C@H](C)CN1C(=O)O[*:1]
C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1)c1ccc2c(c1)CC(=O)N2 Fc1ccccc1[*:1] C[C@H](NC(=O)c1cnn(c1)[*:1])c1ccc2NC(=O)Cc2c1
COc1cc(C[NH2+]CCNC(=O)C2CC2)cc2c1OCO2 C1CC1[*:1] COc1cc(cc2OCOc12)C[NH2+]CCNC(=O)[*:1]
COc1cc(C[NH2+]CCNC(=O)C2CC2)cc2c1OCO2 O=C(NC[*:1])C1CC1 COc1cc(cc2OCOc12)C[NH2+]C[*:1]
COc1cc(C[NH2+]CCNC(=O)C2CC2)cc2c1OCO2 O=C(N[*:1])C1CC1 COc1cc(cc2OCOc12)C[NH2+]CC[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CNS(=O)(=O)[*:1]
CNC(=O)NCC(=O)Nc1ccc(F)cc1C CNC(=O)N[*:1] Cc1cc(F)ccc1NC(=O)C[*:1]
C[C@@H]1CC([NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@@H]1CC(C[C@@H](C)O1)[NH+]1CCN(CC1)c1ccc(cc1)[*:1]
Cc1nc(-c2cccc(CNC(=O)c3ccc(OCC(N)=O)cc3)c2)n[nH]1 NC(=O)CO[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)c1ccc(cc1)[*:1]
Cc1nc(-c2cccc(CNC(=O)c3ccc(OCC(N)=O)cc3)c2)n[nH]1 NC(=O)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)c1ccc(cc1)OC[*:1]
Cc1nc(-c2cccc(CNC(=O)c3ccc(OCC(N)=O)cc3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] NC(=O)COc1ccc(cc1)C(=O)NCc1cccc(c1)[*:1]
Cc1nc(-c2cccc(CNC(=O)c3ccc(OCC(N)=O)cc3)c2)n[nH]1 NC(=O)C[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)c1ccc(cc1)O[*:1]
O=C(c1ccsc1)N1CCC2=NN=C(c3ccc(F)c(F)c3)[C@H]2C1 c1cc(cs1)[*:1] O=C(N1CCC2=NN=C(c3ccc(F)c(F)c3)[C@H]2C1)[*:1]
O=C(c1ccsc1)N1CCC2=NN=C(c3ccc(F)c(F)c3)[C@H]2C1 Fc1ccc(cc1F)[*:1] O=C(c1ccsc1)N1CCC2=NN=C([C@H]2C1)[*:1]
CCC[NH2+][C@@H](Cc1nccs1)c1cnn(C)c1 CCC[*:1] Cn1cc(cn1)[C@H](Cc1nccs1)[NH2+][*:1]
CCC[NH2+][C@@H](Cc1nccs1)c1cnn(C)c1 c1csc(n1)[*:1] CCC[NH2+][C@@H](C[*:1])c1cnn(C)c1
O=C(CCc1nc2ccccc2c(=O)[nH]1)NNc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)NN[*:1]
C[C@H](Sc1nc(N)cc(N)n1)C(=O)N[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1nc(N)cc(N)n1)C(=O)N[C@H](C)[*:1]
Cc1cccc([C@@H](N)c2cc(C(F)(F)F)ccc2F)c1C FC(F)(F)[*:1] Cc1cccc(c1C)[C@@H](N)c1cc(ccc1F)[*:1]
CCC(=O)c1c[nH]c(C(=O)NC)c1 CCC(=O)[*:1] CNC(=O)c1cc(c[nH]1)[*:1]
CCC(=O)c1c[nH]c(C(=O)NC)c1 CNC(=O)[*:1] CCC(=O)c1c[nH]c(c1)[*:1]
O[C@H](Cn1c(Cl)nc2c3ccccc3ccc21)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](Cn1c(Cl)nc2c3ccccc3ccc21)[*:1]
COc1ccc(Nc2cccc(F)c2C(N)=S)cc1 NC(=S)[*:1] COc1ccc(cc1)Nc1cccc(F)c1[*:1]
Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(CC(=O)[O-])cs2)c1 O=C([O-])C[*:1] Cc1ccc(c(c1)OCC(=O)Nc1nc(cs1)[*:1])C(C)C
Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(CC(=O)[O-])cs2)c1 O=C([O-])[*:1] Cc1ccc(c(c1)OCC(=O)Nc1nc(cs1)C[*:1])C(C)C
Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(CC(=O)[O-])cs2)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)Nc1nc(cs1)CC(=O)[O-])[*:1]
O=C(NC[C@H]1CCCC[C@H]1O)c1ncn[nH]1 c1n[nH]c(n1)[*:1] O=C(NC[C@H]1CCCC[C@H]1O)[*:1]
CC[NH2+][C@H]1CCCC[C@H]1CCSc1ccccc1 c1ccc(cc1)[*:1] CC[NH2+][C@H]1CCCC[C@H]1CCS[*:1]
Cc1cccc(C(=O)NCCCN2CCCC2=O)c1 O=C1CCCN1[*:1] Cc1cccc(c1)C(=O)NCCC[*:1]
CCOC1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CCOC1CCN(CC1)C(=O)NCCN1CC[NH+](CC1)C[*:1]
CCOC1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 CCO[*:1] O=C(NCCN1CC[NH+](CC1)Cc1ccccc1)N1CCC(CC1)[*:1]
CCOC1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 c1ccc(cc1)C[*:1] CCOC1CCN(CC1)C(=O)NCCN1CC[NH+](CC1)[*:1]
CCS(=O)(=O)CCN[C@H](C)c1nc2cc(Cl)ccc2n1C CCS(=O)(=O)C[*:1] C[C@@H](NC[*:1])c1nc2cc(Cl)ccc2n1C
CCS(=O)(=O)CCN[C@H](C)c1nc2cc(Cl)ccc2n1C CCS(=O)(=O)CC[*:1] C[C@@H](N[*:1])c1nc2cc(Cl)ccc2n1C
CCS(=O)(=O)CCN[C@H](C)c1nc2cc(Cl)ccc2n1C CCS(=O)(=O)[*:1] C[C@@H](NCC[*:1])c1nc2cc(Cl)ccc2n1C
CC[C@H](NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)N[C@H](C)c1cccc(c1)-n1ccnc1)[*:1]
CC[C@H](NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)c1nc(C)cs1 c1cn(cn1)[*:1] CC[C@H](NC(=O)N[C@H](C)c1cccc(c1)[*:1])c1nc(C)cs1
CCn1cc(NS(=O)(=O)c2cn(C)nc2C)c(C(=O)NCc2ccco2)n1 O=C(NCc1ccco1)[*:1] CCn1cc(NS(=O)(=O)c2cn(C)nc2C)c(n1)[*:1]
CCn1cc(NS(=O)(=O)c2cn(C)nc2C)c(C(=O)NCc2ccco2)n1 c1coc(c1)C[*:1] CCn1cc(NS(=O)(=O)c2cn(C)nc2C)c(n1)C(=O)N[*:1]
CCn1cc(NS(=O)(=O)c2cn(C)nc2C)c(C(=O)NCc2ccco2)n1 Cc1nn(C)cc1[*:1] CCn1cc(NS(=O)(=O)[*:1])c(n1)C(=O)NCc1ccco1
CCn1cc(NS(=O)(=O)c2cn(C)nc2C)c(C(=O)NCc2ccco2)n1 c1coc(c1)[*:1] CCn1cc(NS(=O)(=O)c2cn(C)nc2C)c(n1)C(=O)NC[*:1]
[NH3+]C[C@@H]1CCC[C@H]1COC(=O)NC1CC1 C1CC1[*:1] [NH3+]C[C@@H]1CCC[C@H]1COC(=O)N[*:1]
Cc1noc([C@@H]2CN(CC(=O)N(C)C)CCO2)n1 CN(C)C(=O)[*:1] Cc1noc(n1)[C@@H]1CN(CCO1)C[*:1]
Cc1noc([C@@H]2CN(CC(=O)N(C)C)CCO2)n1 Cc1noc(n1)[*:1] CN(C)C(=O)CN1CCO[C@@H](C1)[*:1]
Cc1noc([C@@H]2CN(CC(=O)N(C)C)CCO2)n1 CN(C)C(=O)C[*:1] Cc1noc(n1)[C@@H]1CN(CCO1)[*:1]
CCC(CC)[C@H]1CCN(C(=O)C(=O)Nc2cncc(C)c2)C1 Cc1cncc(c1)[*:1] CCC(CC)[C@H]1CCN(C1)C(=O)C(=O)N[*:1]
CCC(CC)[C@H]1CCN(C(=O)C(=O)Nc2cncc(C)c2)C1 CCC(CC)[*:1] Cc1cncc(c1)NC(=O)C(=O)N1CC[C@@H](C1)[*:1]
O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc(F)ccc1F c1ccc(cc1)CO[*:1] O=C(NCc1ccnc(c1)[*:1])c1cc(F)ccc1F
O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc(F)ccc1F c1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)OC[*:1])c1cc(F)ccc1F
O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(NCc1ccnc(c1)OCc1ccccc1)[*:1]
O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc(F)ccc1F c1ccc(cc1)C[*:1] O=C(NCc1ccnc(c1)O[*:1])c1cc(F)ccc1F
CC(C)[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CSC2)C(=O)N1CCCCC1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCCCC1)[*:1])c1nn(-c2ccccc2)c2CSCc12
CC(C)[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CSC2)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CC(C)[C@H](NC(=O)c1nn(-c2ccccc2)c2CSCc12)[*:1]
CC(C)[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CSC2)C(=O)N1CCCCC1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1nn(c2CSCc12)[*:1])C(=O)N1CCCCC1
Cc1nc(C[C@@]2([NH3+])CCCC[C@@H]2c2ccccc2)sc1C Cc1nc(sc1C)[*:1] [NH3+][C@@]1(CCCC[C@@H]1c1ccccc1)C[*:1]
Cc1nc(C[C@@]2([NH3+])CCCC[C@@H]2c2ccccc2)sc1C c1ccc(cc1)[*:1] Cc1nc(C[C@@]2([NH3+])CCCC[C@H]2[*:1])sc1C
C[C@H]1NC(C(=O)NCc2ccc(F)c(Cl)c2)=NN(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@H]1NC(=NN(C1=O)[*:1])C(=O)NCc1ccc(F)c(Cl)c1
C[C@H]1NC(C(=O)NCc2ccc(F)c(Cl)c2)=NN(c2ccccc2)C1=O Fc1ccc(cc1Cl)[*:1] C[C@H]1NC(=NN(C1=O)c1ccccc1)C(=O)NC[*:1]
O=C1O[C@H](CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 C(=C[*:1])c1ccccc1 O=C1O[C@H](CC(=O)N2CCN(CC2)C[*:1])c2ccccc21
O=C1O[C@H](CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 C(=C/c1ccccc1)\C[*:1] O=C1O[C@H](CC(=O)N2CCN(CC2)[*:1])c2ccccc21
O=C1O[C@H](CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 c1ccc(cc1)[*:1] O=C1O[C@H](CC(=O)N2CCN(CC=C[*:1])CC2)c2ccccc21
CC(C)Cn1c(CN2CCSCC2)cnc1S(=O)(=O)C[C@H]1CCCO1 C1CN(CCS1)C[*:1] CC(C)Cn1c(cnc1S(=O)(=O)C[C@H]1CCCO1)[*:1]
CC(C)Cn1c(CN2CCSCC2)cnc1S(=O)(=O)C[C@H]1CCCO1 CC(C)[*:1] O=S(=O)(C[C@H]1CCCO1)c1ncc(CN2CCSCC2)n1C[*:1]
CC(C)Cn1c(CN2CCSCC2)cnc1S(=O)(=O)C[C@H]1CCCO1 CC(C)C[*:1] O=S(=O)(C[C@H]1CCCO1)c1ncc(CN2CCSCC2)n1[*:1]
CC(C)Cn1c(CN2CCSCC2)cnc1S(=O)(=O)C[C@H]1CCCO1 C1CN(CCS1)[*:1] CC(C)Cn1c(cnc1S(=O)(=O)C[C@H]1CCCO1)C[*:1]
Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C CC(C)(C)[*:1] Cc1nc2[C@H](CCCn2n1)[NH2+][C@H]1CCCC[C@H]1[*:1]
c1ccc(COc2ccc(C[NH+]3CCC(c4cc[nH]n4)CC3)cc2)nc1 c1cc(n[nH]1)[*:1] c1ccc(COc2ccc(cc2)C[NH+]2CCC(CC2)[*:1])nc1
c1ccc(COc2ccc(C[NH+]3CCC(c4cc[nH]n4)CC3)cc2)nc1 c1ccc(nc1)[*:1] c1cc(n[nH]1)C1CC[NH+](CC1)Cc1ccc(cc1)OC[*:1]
c1ccc(COc2ccc(C[NH+]3CCC(c4cc[nH]n4)CC3)cc2)nc1 c1ccc(C[*:1])nc1 c1cc(n[nH]1)C1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
c1ccc(COc2ccc(C[NH+]3CCC(c4cc[nH]n4)CC3)cc2)nc1 c1ccc(CO[*:1])nc1 c1cc(n[nH]1)C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1CC[C@@H]2CC[C@@H]1Cl c1ccc(cc1)[*:1] O=c1n(c(=O)n2[C@H]3CC[C@H](Cl)[C@H](CC3)n12)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)COc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)CO[*:1]
CC(C)(C)NC(=[NH2+])NCC1C(C)(C)C1(C)C CC(C)(C)[*:1] CC1(C)C(CNC(=[NH2+])N[*:1])C1(C)C
Cc1ccc([C@]2(C)NC(=O)N(Cc3cc(=O)n4ccsc4n3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O)[*:1]
O=C([O-])[C@H]1CCO[C@H]1Cc1ccccc1 O=C([O-])[*:1] c1ccc(cc1)C[C@@H]1OCC[C@@H]1[*:1]
C[NH2+]C[C@@H](Cc1ccccc1)Cc1nc(C(C)(C)C)cs1 c1ccc(cc1)[*:1] C[NH2+]C[C@H](Cc1nc(cs1)C(C)(C)C)C[*:1]
C[NH2+]C[C@@H](Cc1ccccc1)Cc1nc(C(C)(C)C)cs1 c1ccc(cc1)C[*:1] C[NH2+]C[C@@H](Cc1nc(cs1)C(C)(C)C)[*:1]
C[NH2+]C[C@@H](Cc1ccccc1)Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[NH2+]C[C@@H](Cc1ccccc1)Cc1nc(cs1)[*:1]
CCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CCC[NH2+][C@H](C)c1ccc(cc1)O[*:1]
O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 C1CN(CCO1)CC[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(Cc2ccccc2)C1
O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 C1CN(CCO1)[*:1] O=C(NCC[*:1])[C@@H]1CC(=O)N(Cc2ccccc2)C1
O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 C1CN(CCO1)C[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(Cc2ccccc2)C1
O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(C1)C[*:1]
C[C@@H](CN(C)Cc1cnccn1)c1cccc(Br)c1 c1cnc(cn1)[*:1] C[C@@H](CN(C)C[*:1])c1cccc(Br)c1
CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(S(=O)(=O)c4cccnc4)C3)cc2N1 FC(F)(F)[*:1] CC(C)[C@@H]1C[C@H](n2nc(cc2N1)[C@H]1CCN(C1)S(=O)(=O)c1cccnc1)[*:1]
CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(S(=O)(=O)c4cccnc4)C3)cc2N1 CC(C)[*:1] O=S(=O)(c1cccnc1)N1CC[C@@H](C1)c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(S(=O)(=O)c4cccnc4)C3)cc2N1 c1cncc(c1)[*:1] CC(C)[C@@H]1C[C@@H](n2nc(cc2N1)[C@H]1CCN(C1)S(=O)(=O)[*:1])C(F)(F)F
CNC(=O)CN1CCN(C(=O)[C@](C)(N)C(F)(F)F)CC1 CNC(=O)[*:1] C[C@](N)(C(=O)N1CCN(CC1)C[*:1])C(F)(F)F
CNC(=O)CN1CCN(C(=O)[C@](C)(N)C(F)(F)F)CC1 FC(F)(F)[*:1] CNC(=O)CN1CCN(CC1)C(=O)[C@](C)(N)[*:1]
CNC(=O)CN1CCN(C(=O)[C@](C)(N)C(F)(F)F)CC1 CNC(=O)C[*:1] C[C@](N)(C(=O)N1CCN(CC1)[*:1])C(F)(F)F
CO[C@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)N1CC[C@](O)(C1)C(F)(F)F)[*:1]
CO[C@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(F)cc1 FC(F)(F)[*:1] CO[C@H](CNC(=O)N1CC[C@@](O)(C1)[*:1])c1ccc(F)cc1
O=C(CN1N=C(c2ccccc2)CCC1=O)NCc1ccco1 c1ccc(cc1)[*:1] O=C(CN1N=C(CCC1=O)[*:1])NCc1ccco1
O=C(CN1N=C(c2ccccc2)CCC1=O)NCc1ccco1 c1coc(c1)[*:1] O=C(CN1N=C(CCC1=O)c1ccccc1)NC[*:1]
O=C(CN1N=C(c2ccccc2)CCC1=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(CN1N=C(CCC1=O)c1ccccc1)N[*:1]
O=S(=O)(CCN(C1CC1)S(=O)(=O)c1ccc(Br)cc1)N1CCNCC1 Brc1ccc(cc1)[*:1] O=S(=O)(CCN(C1CC1)S(=O)(=O)[*:1])N1CCNCC1
O=S(=O)(CCN(C1CC1)S(=O)(=O)c1ccc(Br)cc1)N1CCNCC1 C1CC1[*:1] O=S(=O)(CCN(S(=O)(=O)c1ccc(Br)cc1)[*:1])N1CCNCC1
Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N[C@H]4CCCc5ccccc54)c3)n2)o1 Cc1nnc(o1)[*:1] CC(C)Cc1cc(nn1-c1cccc(c1)C(=O)N[C@H]1CCCc2ccccc21)[*:1]
Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N[C@H]4CCCc5ccccc54)c3)n2)o1 CC(C)[*:1] Cc1nnc(o1)-c1cc(C[*:1])n(n1)-c1cccc(c1)C(=O)N[C@H]1CCCc2ccccc21
Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N[C@H]4CCCc5ccccc54)c3)n2)o1 CC(C)C[*:1] Cc1nnc(o1)-c1cc(n(n1)-c1cccc(c1)C(=O)N[C@H]1CCCc2ccccc21)[*:1]
O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)O[*:1])[C@@H]1CCCN(C1)C(=O)CCn1cnnn1
O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 c1ccc(cc1)O[*:1] O=C(c1ccc(cc1)[*:1])[C@@H]1CCCN(C1)C(=O)CCn1cnnn1
O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 c1nnnn1CC[*:1] O=C(c1ccc(cc1)Oc1ccccc1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 c1nnnn1C[*:1] O=C(c1ccc(cc1)Oc1ccccc1)[C@@H]1CCCN(C1)C(=O)C[*:1]
O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 c1nnnn1[*:1] O=C(c1ccc(cc1)Oc1ccccc1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2COc3ccc(F)cc3C2)CC1 CC(C)(C)[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1
C[C@@H](CCc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1
Cc1ccc(NC(=O)N2C[C@H](C)CCC[C@@H]2C)s1 Cc1ccc(s1)[*:1] C[C@H]1CCC[C@@H](C)CN1C(=O)N[*:1]
Nc1nc(N[C@@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] c1ccc(cc1)C[*:1] Nc1nc(ccc1[N+](=O)[O-])N[C@@H](CO)[*:1]
Nc1nc(N[C@@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Nc1nc(ccc1[N+](=O)[O-])N[C@@H](CO)C[*:1]
Nc1nc(N[C@@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(ccc1[*:1])N[C@@H](CO)Cc1ccccc1
C[C@@]1(c2ccccc2)NC(=O)N(CCCOc2ccc(C#N)cc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CCCOc2ccc(C#N)cc2)C1=O)[*:1]
C[C@@]1(c2ccccc2)NC(=O)N(CCCOc2ccc(C#N)cc2)C1=O N#Cc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CCCO[*:1])C1=O)c1ccccc1
Cc1ccc2oc(=O)c(CC(=O)c3ccc(F)cc3)nc2c1 Fc1ccc(cc1)[*:1] Cc1ccc2oc(=O)c(CC(=O)[*:1])nc2c1
CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@H]3CCCC[C@H]32)n1 CCc1ccccc1[*:1] O=C(c1nn(cc1[O-])[*:1])N1CC[C@H]2CCCC[C@H]21
COc1cc(F)cc(CNC(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c1 CC(C)c1csc(n1)[*:1] COc1cc(F)cc(c1)CNC(=O)N1CCC[C@@H](C1)[*:1]
COc1cc(F)cc(CNC(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c1 COc1cc(F)cc(c1)[*:1] CC(C)c1csc(n1)[C@@H]1CCCN(C1)C(=O)NC[*:1]
COc1cc(F)cc(CNC(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c1 CC(C)[*:1] COc1cc(F)cc(c1)CNC(=O)N1CCC[C@H](C1)c1nc(cs1)[*:1]
O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 c1cn(cn1)[*:1] O=C(CCc1ccc(F)cc1)N1CCC[C@@H](C1)c1cncc(n1)[*:1]
O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 Fc1ccc(cc1)CC[*:1] O=C(N1CCC[C@@H](C1)c1cncc(n1)-n1ccnc1)[*:1]
O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 Fc1ccc(cc1)C[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1cncc(n1)-n1ccnc1
O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 Fc1ccc(cc1)[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)c1cncc(n1)-n1ccnc1
Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 Fc1ccc(cc1)[*:1] Cc1ccc(/C=C2/SC(=O)N(C[*:1])C2=O)o1
Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 Cc1ccc(o1)[*:1] O=C1SC(=C[*:1])C(=O)N1Cc1ccc(F)cc1
CC(=O)Nc1ccc(S(=O)(=O)C2=CCS(=O)(=O)C2)cc1 CC(=O)N[*:1] O=S1(=O)CC=C(C1)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(Cl)cc1N(C)C(=O)CSCc1cccnc1 c1cncc(c1)C[*:1] COc1ccc(Cl)cc1N(C)C(=O)CS[*:1]
COc1ccc(Cl)cc1N(C)C(=O)CSCc1cccnc1 c1cncc(c1)[*:1] COc1ccc(Cl)cc1N(C)C(=O)CSC[*:1]
COCCc1ccc(OCC(=O)Nc2ccc(C)c(F)c2)cc1 COC[*:1] Cc1ccc(cc1F)NC(=O)COc1ccc(cc1)C[*:1]
COCCc1ccc(OCC(=O)Nc2ccc(C)c(F)c2)cc1 COCC[*:1] Cc1ccc(cc1F)NC(=O)COc1ccc(cc1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](n2cnc(C#N)n2)C1 CS(=O)(=O)[*:1] N#Cc1ncn(n1)[C@@H]1CCC[C@@H](C1)[*:1]
Cc1csc(/C(C#N)=C\c2cc(-c3ccccc3)cs2)n1 Cc1csc(n1)[*:1] N#CC(=Cc1cc(cs1)-c1ccccc1)[*:1]
Cc1csc(/C(C#N)=C\c2cc(-c3ccccc3)cs2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)/C(C#N)=C\c1cc(cs1)[*:1]
CN(C)c1ccc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CN(C)c1ccc(C=NNC(=O)COc2ccc(cc2)[*:1])cc1
CN(C)c1ccc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 CN(C)[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])NN=Cc1ccc(cc1)[*:1]
O=C(Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1)N1CCC(O)CC1 O=C(N1CCC(O)CC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])C1(CCOCC1)c1ccccc1
O=C(Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1)N1CCC(O)CC1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)NC(=O)C1(CCOCC1)[*:1])N1CCC(O)CC1
O=C(Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1)N1CCC(O)CC1 O=C(C[*:1])N1CCC(O)CC1 O=C(Nc1ccc(cc1)[*:1])C1(CCOCC1)c1ccccc1
CC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] CC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1 CC(=O)N1CCC[C@H]1[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1ccc(cc1)SC(F)F
CC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] CC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(cc1)S[*:1]
CCOc1ccc(-c2nnc(NC(=O)c3ccn(C)n3)o2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])-c1nnc(NC(=O)c2ccn(C)n2)o1
CCOc1ccc(-c2nnc(NC(=O)c3ccn(C)n3)o2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])-c1nnc(NC(=O)c2ccn(C)n2)o1
CCOc1ccc(-c2nnc(NC(=O)c3ccn(C)n3)o2)cc1OCC Cn1ccc(n1)[*:1] CCOc1ccc(cc1OCC)-c1nnc(NC(=O)[*:1])o1
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4nccnc4c3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(c1ccc2nccnc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1ccccc1OCC1CC1)[C@@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1OCC1CC1)[C@@H]1C[C@@H]1[*:1]
O=C(Nc1ccccc1OCC1CC1)[C@@H]1C[C@H]1c1ccc(F)cc1 C1CC1C[*:1] O=C(Nc1ccccc1O[*:1])[C@@H]1C[C@H]1c1ccc(F)cc1
O=C(Nc1ccccc1OCC1CC1)[C@@H]1C[C@H]1c1ccc(F)cc1 C1CC1[*:1] O=C(Nc1ccccc1OC[*:1])[C@@H]1C[C@H]1c1ccc(F)cc1
O=C(Nc1ccccc1OCC1CC1)[C@@H]1C[C@H]1c1ccc(F)cc1 C1CC1CO[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1C[C@H]1c1ccc(F)cc1
COc1ccc(/C=C/C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)CC(=O)N3)cc1 COc1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1nc2NC(=O)C[C@@H](c3ccccc3)n2n1
COc1ccc(/C=C/C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)CC(=O)N3)cc1 c1ccc(cc1)[*:1] COc1ccc(/C=C/C(=O)Nc2nc3NC(=O)C[C@@H](n3n2)[*:1])cc1
O=C(CSc1nnc2nc([O-])c(-c3ccccc3)nn12)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc2nc([O-])c(nn12)[*:1])Nc1ccccc1
O=C(CSc1nnc2nc([O-])c(-c3ccccc3)nn12)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc2nc([O-])c(nn12)-c1ccccc1)N[*:1]
O=C(CSc1nnc2nc([O-])c(-c3ccccc3)nn12)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] [O-]c1nc2nnc(SC[*:1])n2nc1-c1ccccc1
COC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 COC[*:1] C[C@@H]([NH+]1CCN(CC1)CC(=O)Nc1ccc(Br)c(c1)C(F)(F)F)[*:1]
COC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] COC[C@@H](C)[NH+]1CCN(CC1)CC(=O)Nc1ccc(Br)c(c1)[*:1]
Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)N(C)[*:1]
Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)N(C)C[*:1]
CSc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccn1 c1ccc(cc1)[*:1] CSc1cc(ccn1)C(=O)Nc1ccccc1[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(c1cc(nn1-c1ccccc1)-c1cccs1)N1CCC[C@@H]1[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)c1cc(nn1[*:1])-c1cccs1
O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1cc(nn1-c1ccccc1)-c1cccs1
O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 c1csc(c1)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)c1cc(nn1-c1ccccc1)[*:1]
Cc1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)c1 Cc1cccc(c1)NC(=O)[*:1] C[C@@H](NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21)[*:1]
C[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)C1CCCCC1 C[C@@H](C1CCCCC1)[*:1] O=C(CC[C@H]1Cc2ccccc2NC1=O)N[*:1]
C[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)[*:1]
CC(=O)NCCCSc1nnnn1C(C)C CC(C)[*:1] CC(=O)NCCCSc1nnnn1[*:1]
CC(=O)NCCCSc1nnnn1C(C)C CC(=O)N[*:1] CC(C)n1nnnc1SCCC[*:1]
CC(=O)NCCCSc1nnnn1C(C)C CC(=O)NC[*:1] CC(C)n1nnnc1SCC[*:1]
C=CCc1ccccc1OC[C@H](O)CN1C(=O)c2cccc3cccc1c23 C=CCc1ccccc1[*:1] O=C1c2cccc3cccc(c23)N1C[C@@H](O)CO[*:1]
C=CCc1ccccc1OC[C@H](O)CN1C(=O)c2cccc3cccc1c23 C=CC[*:1] O=C1c2cccc3cccc(c23)N1C[C@@H](O)COc1ccccc1[*:1]
C[C@H](NC(=O)c1n[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](NC(=O)c1n[nH]c2ccccc12)c1cccc(c1)[*:1]
N#Cc1ccccc1NC(=O)Cn1nc(-n2cccn2)ccc1=O N#Cc1ccccc1[*:1] O=C(Cn1nc(ccc1=O)-n1cccn1)N[*:1]
N#Cc1ccccc1NC(=O)Cn1nc(-n2cccn2)ccc1=O c1cnn(c1)[*:1] N#Cc1ccccc1NC(=O)Cn1nc(ccc1=O)[*:1]
C[C@@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@]1(O)C1CCC1 C1CC(C1)[*:1] C[C@@H]1CN(C[C@]1(O)[*:1])S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
Cc1cc(C)cc(OCCNC(=O)C(=O)Nc2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(C)cc(c1)OCCNC(=O)C(=O)Nc1ccccc1[*:1]
Cc1cc(C)cc(OCCNC(=O)C(=O)Nc2ccccc2C(F)(F)F)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCO[*:1])C(=O)Nc1ccccc1C(F)(F)F
Cc1cc(C)cc(OCCNC(=O)C(=O)Nc2ccccc2C(F)(F)F)c1 Cc1cc(C)cc(c1)O[*:1] O=C(NCC[*:1])C(=O)Nc1ccccc1C(F)(F)F
CC(C)(C)C(=O)NNC(=O)c1n[nH]c2ccccc12 CC(C)(C)[*:1] O=C(NNC(=O)[*:1])c1n[nH]c2ccccc12
COC(=O)c1cccc(N[C@H](C)c2ccc(-n3ccnc3C)cc2)n1 COC(=O)[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)Nc1cccc(n1)[*:1]
COC(=O)c1cccc(N[C@H](C)c2ccc(-n3ccnc3C)cc2)n1 Cc1nccn1[*:1] COC(=O)c1cccc(n1)N[C@H](C)c1ccc(cc1)[*:1]
O=C(NCCc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 Fc1ccccc1CC[*:1] O=C(N[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
O=C(NCCc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] O=C(NCCc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)[*:1]
O=C(NCCc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 Fc1ccccc1[*:1] O=C(NCC[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
O=C(NCCc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 Fc1ccccc1C[*:1] O=C(NC[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Cc1cc(N2CCC[C@@H]2C(N)=O)ccc1N NC(=O)[*:1] Cc1cc(ccc1N)N1CCC[C@H]1[*:1]
C=CCCCn1cc(C(=O)[O-])cc1Br C=CC[*:1] O=C([O-])c1cc(Br)n(c1)CC[*:1]
C=CCCCn1cc(C(=O)[O-])cc1Br O=C([O-])[*:1] C=CCCCn1cc(cc1Br)[*:1]
C=CCCCn1cc(C(=O)[O-])cc1Br C=CCC[*:1] O=C([O-])c1cc(Br)n(c1)C[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc(OC(F)F)cn2)CC1 FC(F)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)c1ccc(cn1)O[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc(OC(F)F)cn2)CC1 FC(F)O[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)c1ccc(cn1)[*:1]
COc1ccc(OCCC2OCCCO2)c(C(C)(C)C)c1 CC(C)(C)[*:1] COc1ccc(OCCC2OCCCO2)c(c1)[*:1]
COc1ccc(OCCC2OCCCO2)c(C(C)(C)C)c1 C1COC(OC1)[*:1] COc1ccc(OCC[*:1])c(c1)C(C)(C)C
COc1ccc(OCCC2OCCCO2)c(C(C)(C)C)c1 C1COC(C[*:1])OC1 COc1ccc(OC[*:1])c(c1)C(C)(C)C
CCOc1ccccc1C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC)C1 c1cc(cs1)[*:1] CCOc1ccccc1C(=O)N1CC[C@@](Cc2ccc(cc2)[*:1])(C1)C(=O)NC
CCOc1ccccc1C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC)C1 CCO[*:1] CNC(=O)[C@]1(CCN(C1)C(=O)c1ccccc1[*:1])Cc1ccc(cc1)-c1ccsc1
CCOc1ccccc1C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC)C1 CNC(=O)[*:1] CCOc1ccccc1C(=O)N1CC[C@](Cc2ccc(cc2)-c2ccsc2)(C1)[*:1]
CCOc1ccccc1C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC)C1 CCOc1ccccc1[*:1] CNC(=O)[C@]1(CCN(C1)C(=O)[*:1])Cc1ccc(cc1)-c1ccsc1
C[C@H]1CN(C[C@@H](O)COc2ccc(C3CCCCC3)cc2)C[C@@H](C)O1 C1CCC(CC1)[*:1] C[C@H]1CN(C[C@@H](O)COc2ccc(cc2)[*:1])C[C@@H](C)O1
COc1ccc(NC(=O)c2cccc(OC(C)=O)c2)cc1OC CC(=O)O[*:1] COc1ccc(cc1OC)NC(=O)c1cccc(c1)[*:1]
CC(=O)N(c1ccc(C(C)C)cc1)[C@H]1C=CS(=O)(=O)C1 CC(C)[*:1] CC(=O)N(c1ccc(cc1)[*:1])[C@H]1C=CS(=O)(=O)C1
Cc1noc(C)c1CSc1ccccc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 Cc1noc(C)c1[*:1] O=C(c1ccccc1SC[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
Cc1noc(C)c1CSc1ccccc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 Cc1noc(C)c1CS[*:1] O=C(c1ccccc1[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
Cc1noc(C)c1CSc1ccccc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 Cc1noc(C)c1C[*:1] O=C(c1ccccc1S[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
Cc1noc(C)c1CSc1ccccc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] Cc1noc(C)c1CSc1ccccc1C(=O)N1CCO[C@H](C1)[*:1]
Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccncc1 Cc1c(Cl)cccc1[*:1] N#CCc1ccc(cc1)NC(=O)CSc1nnc(-c2ccncc2)n1[*:1]
Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccncc1 N#CC[*:1] Cc1c(Cl)cccc1-n1c(nnc1-c1ccncc1)SCC(=O)Nc1ccc(cc1)[*:1]
Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(Cl)cccc1-n1c(nnc1[*:1])SCC(=O)Nc1ccc(cc1)CC#N
Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccncc1 N#CCc1ccc(cc1)[*:1] Cc1c(Cl)cccc1-n1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
O=C(CCNC(=O)N1CCc2cc(F)ccc2C1)NCc1ccncc1 c1cc(ccn1)[*:1] O=C(CCNC(=O)N1CCc2cc(F)ccc2C1)NC[*:1]
O=C(CCNC(=O)N1CCc2cc(F)ccc2C1)NCc1ccncc1 c1cc(ccn1)C[*:1] O=C(CCNC(=O)N1CCc2cc(F)ccc2C1)N[*:1]
Cc1cc(F)c(C(=O)N[C@@H](C)CC(C)C)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1cc(F)c(cc1[*:1])C(=O)N[C@@H](C)CC(C)C
Cc1cc(F)c(C(=O)N[C@@H](C)CC(C)C)cc1S(N)(=O)=O CC(C)[*:1] Cc1cc(F)c(cc1S(N)(=O)=O)C(=O)N[C@@H](C)C[*:1]
Cc1cc(F)c(C(=O)N[C@@H](C)CC(C)C)cc1S(N)(=O)=O CC(C)C[C@H](C)[*:1] Cc1cc(F)c(cc1S(N)(=O)=O)C(=O)N[*:1]
Cc1cc(F)c(C(=O)N[C@@H](C)CC(C)C)cc1S(N)(=O)=O CC(C)C[*:1] Cc1cc(F)c(cc1S(N)(=O)=O)C(=O)N[C@@H](C)[*:1]
O=C([O-])C[C@@H](c1c[nH]c2ccccc12)C(F)(F)F O=C([O-])[*:1] FC(F)(F)[C@@H](C[*:1])c1c[nH]c2ccccc12
O=C([O-])C[C@@H](c1c[nH]c2ccccc12)C(F)(F)F O=C([O-])C[*:1] FC(F)(F)[C@H](c1c[nH]c2ccccc12)[*:1]
O=C([O-])C[C@@H](c1c[nH]c2ccccc12)C(F)(F)F FC(F)(F)[*:1] O=C([O-])C[C@@H](c1c[nH]c2ccccc12)[*:1]
C[C@@H](c1ccco1)N(C(=O)N[C@H](C)Cc1cccc(F)c1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)N[C@H](C)Cc1cccc(F)c1)C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)N[C@H](C)Cc1cccc(F)c1)C1CC1 C[C@@H](c1ccco1)[*:1] C[C@H](Cc1cccc(F)c1)NC(=O)N(C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)N[C@H](C)Cc1cccc(F)c1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)N[C@H](C)Cc1cccc(F)c1)[*:1]
C[C@@H](c1ccco1)N(C(=O)N[C@H](C)Cc1cccc(F)c1)C1CC1 Fc1cccc(c1)C[*:1] C[C@@H](c1ccco1)N(C(=O)N[C@H](C)[*:1])C1CC1
C[C@@H](c1ccco1)N(C(=O)N[C@H](C)Cc1cccc(F)c1)C1CC1 Fc1cccc(c1)[*:1] C[C@@H](c1ccco1)N(C(=O)N[C@H](C)C[*:1])C1CC1
Cc1cc(N)nc(SCc2nnc(-c3cccs3)o2)n1 c1csc(c1)[*:1] Cc1cc(N)nc(n1)SCc1nnc(o1)[*:1]
CS[C@H](C)CC(=O)N[C@H]1c2ccccc2C[C@H]1O CS[C@H](C)C[*:1] O=C(N[C@H]1c2ccccc2C[C@H]1O)[*:1]
CS[C@H](C)CC(=O)N[C@H]1c2ccccc2C[C@H]1O CS[C@H](C)[*:1] O=C(C[*:1])N[C@H]1c2ccccc2C[C@H]1O
NC(=O)NCc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1 NC(=O)N[*:1] O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(cc1)C[*:1]
NC(=O)NCc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1 NC(=O)NC[*:1] O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(cc1)[*:1]
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1[*:1]
Cc1cc(NC(=O)NCc2cn3ccsc3n2)no1 Cc1cc(no1)[*:1] O=C(NCc1cn2ccsc2n1)N[*:1]
c1ccc(OCc2nc(-c3ccccn3)no2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)-c1noc(CO[*:1])n1
c1ccc(OCc2nc(-c3ccccn3)no2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)OCc1nc(no1)[*:1]
C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl c1csc(c1)[*:1] C[C@@H](OC(=O)C=C[*:1])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl
C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl C(=C[*:1])c1cccs1 C[C@@H](OC(=O)[*:1])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl
C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@H](C)[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1Br)[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1Br)[N+](=O)[O-])c1ccc(cc1Cl)[*:1]
C[S@@](=O)c1ccc(NC(=O)/C=C/c2cncc(F)c2)cc1 Fc1cncc(c1)[*:1] C[S@@](=O)c1ccc(cc1)NC(=O)C=C[*:1]
C[S@@](=O)c1ccc(NC(=O)/C=C/c2cncc(F)c2)cc1 C[S@@](=O)[*:1] O=C(/C=C/c1cncc(F)c1)Nc1ccc(cc1)[*:1]
O=C1N[C@H](C(=O)Nc2cccc(N3CCCC3=O)c2)CS[C@H]1Cc1ccccc1F Fc1ccccc1[*:1] O=C1N[C@@H](CS[C@H]1C[*:1])C(=O)Nc1cccc(c1)N1CCCC1=O
O=C1N[C@H](C(=O)Nc2cccc(N3CCCC3=O)c2)CS[C@H]1Cc1ccccc1F Fc1ccccc1C[*:1] O=C1N[C@@H](CS[C@@H]1[*:1])C(=O)Nc1cccc(c1)N1CCCC1=O
O=C1N[C@H](C(=O)Nc2cccc(N3CCCC3=O)c2)CS[C@H]1Cc1ccccc1F O=C1CCCN1[*:1] O=C1N[C@@H](CS[C@H]1Cc1ccccc1F)C(=O)Nc1cccc(c1)[*:1]
O=C(Cc1csc(SCc2ccccc2F)n1)NC1CC1 O=C(NC1CC1)[*:1] Fc1ccccc1CSc1nc(cs1)C[*:1]
O=C(Cc1csc(SCc2ccccc2F)n1)NC1CC1 Fc1ccccc1[*:1] O=C(Cc1csc(n1)SC[*:1])NC1CC1
O=C(Cc1csc(SCc2ccccc2F)n1)NC1CC1 C1CC1[*:1] O=C(Cc1csc(n1)SCc1ccccc1F)N[*:1]
O=C(Cc1csc(SCc2ccccc2F)n1)NC1CC1 O=C(C[*:1])NC1CC1 Fc1ccccc1CSc1nc(cs1)[*:1]
Cc1ccc(C)c(N/C(=N\C(=O)c2cccc(F)c2)[N-]Cc2c(C)nn(C)c2C)c1 Cc1nn(C)c(C)c1[*:1] Cc1ccc(C)c(c1)N/C(=N\C(=O)c1cccc(F)c1)[N-]C[*:1]
Cc1ccc(C)c(N/C(=N\C(=O)c2cccc(F)c2)[N-]Cc2c(C)nn(C)c2C)c1 Fc1cccc(c1)[*:1] Cc1ccc(C)c(c1)N/C(=N\C(=O)[*:1])[N-]Cc1c(C)nn(C)c1C
Cc1ccc(C)c(N/C(=N\C(=O)c2cccc(F)c2)[N-]Cc2c(C)nn(C)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1nn(C)c(C)c1C[N-]/C(=N/C(=O)c1cccc(F)c1)N[*:1]
COc1ccc(CCC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc(cc1)-c1ccncc1
COc1ccc(CCC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1 COc1ccc(cc1)C[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccncc1
COc1ccc(CCC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)CCC(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1csc(C(C)(C)NC(=O)c2cccc(Br)c2C)n1 Cc1csc(n1)[*:1] Cc1c(Br)cccc1C(=O)NC(C)(C)[*:1]
Cc1ccncc1NC(=O)c1ccc(Oc2ccccc2)cc1 Cc1ccncc1[*:1] O=C(N[*:1])c1ccc(cc1)Oc1ccccc1
Cc1ccncc1NC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] Cc1ccncc1NC(=O)c1ccc(cc1)[*:1]
Cc1ccncc1NC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccncc1NC(=O)c1ccc(cc1)O[*:1]
C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccccc4Oc4ccccc4)cn1c23 c1ccc(cc1)O[*:1] C[C@H]1Cc2cccc3c(=O)c(cn1c23)C(=O)Nc1ccccc1[*:1]
C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccccc4Oc4ccccc4)cn1c23 c1ccc(cc1)[*:1] C[C@H]1Cc2cccc3c(=O)c(cn1c23)C(=O)Nc1ccccc1O[*:1]
CCC(C)(CC)NC(=O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] CCC(C)(CC)NC(=O)c1cccc(n1)O[*:1]
CCC(C)(CC)NC(=O)c1cccc(OCC(F)F)n1 FC(F)[*:1] CCC(C)(CC)NC(=O)c1cccc(n1)OC[*:1]
CCC(C)(CC)NC(=O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] CCC(C)(CC)NC(=O)c1cccc(n1)[*:1]
CCC(C)(CC)NC(=O)c1cccc(OCC(F)F)n1 CCC(C)(CC)[*:1] O=C(N[*:1])c1cccc(n1)OCC(F)F
COc1ccc(CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C2CC2)cc1 COc1ccc(cc1)[*:1] Cc1oc(cc1S(=O)(=O)N1CCCC1)C(=O)N(C[*:1])C1CC1
COc1ccc(CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)c1cc(c(C)o1)S(=O)(=O)N1CCCC1)[*:1]
COc1ccc(CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C2CC2)cc1 COc1ccc(cc1)C[*:1] Cc1oc(cc1S(=O)(=O)N1CCCC1)C(=O)N(C1CC1)[*:1]
COc1ccc(CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C2CC2)cc1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1)CN(C(=O)c1cc(c(C)o1)[*:1])C1CC1
Cc1cncc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c1 Cc1cncc(c1)[*:1] O=C(N[C@@H]1CCCN(C1)c1ccccc1)[*:1]
Cc1cncc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)C(=O)N[C@@H]1CCCN(C1)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC[C@H]1CCCO1 O=C(NC[C@H]1CCCO1)[*:1] CC(C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC(C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)N[*:1]
CC(C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC[C@H]1CCCO1 CC(C)[*:1] O=C(NC[C@H]1CCCO1)[C@@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)[*:1]
COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)ccc1OCc1cccc(C)c1 Cc1cccc(c1)CO[*:1] COc1cc(ccc1[*:1])[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2nnnn21
COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)ccc1OCc1cccc(C)c1 Cc1cccc(c1)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2nnnn21
COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)ccc1OCc1cccc(C)c1 Cc1ccccc1[*:1] COc1cc(ccc1OCc1cccc(C)c1)[C@@H]1C(C(=O)N[*:1])=C(C)Nc2nnnn21
COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)ccc1OCc1cccc(C)c1 Cc1cccc(c1)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2nnnn21
COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)ccc1OCc1cccc(C)c1 Cc1ccccc1NC(=O)[*:1] COc1cc(ccc1OCc1cccc(C)c1)[C@@H]1C(=C(C)Nc2nnnn21)[*:1]
COc1cc(C[NH2+]Cc2nncn2C)cc(Cl)c1OC Cn1cnnc1[*:1] COc1cc(cc(Cl)c1OC)C[NH2+]C[*:1]
Cc1ccc(CNc2cc(-n3ccnc3)ncn2)c(OC[C@@H]2CCOC2)c1 c1cn(cn1)[*:1] Cc1ccc(CNc2cc(ncn2)[*:1])c(c1)OC[C@@H]1CCOC1
COc1cccc(CC(=O)N(C)[C@H](C)c2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1cccc(c1)CC(=O)N(C)[C@H](C)[*:1]
CC(C)N(CCO)c1ccc(C#N)c(N)c1 OCC[*:1] CC(C)N(c1ccc(C#N)c(N)c1)[*:1]
CC(C)N(CCO)c1ccc(C#N)c(N)c1 CC(C)[*:1] N#Cc1ccc(cc1N)N(CCO)[*:1]
CS[C@H]1CC[C@H](NC(=O)N2CCC(OC3CCCCC3)CC2)C1 C1CCC(CC1)O[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N1CCC(CC1)[*:1]
CS[C@H]1CC[C@H](NC(=O)N2CCC(OC3CCCCC3)CC2)C1 C1CCC(CC1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N1CCC(CC1)O[*:1]
Cc1cccc(NC(=O)N2CCN(Cc3ccc(O)c([N+](=O)[O-])c3)CC2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)NC(=O)N1CCN(CC1)Cc1ccc(O)c(c1)[*:1]
Cc1cccc(NC(=O)N2CCN(Cc3ccc(O)c([N+](=O)[O-])c3)CC2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])N1CCN(CC1)Cc1ccc(O)c(c1)[N+](=O)[O-]
O=C(NCc1ccccc1F)C1CCN(c2ncccc2S(=O)(=O)N2CCOCC2)CC1 Fc1ccccc1[*:1] O=C(NC[*:1])C1CCN(CC1)c1ncccc1S(=O)(=O)N1CCOCC1
O=C(NCc1ccccc1F)C1CCN(c2ncccc2S(=O)(=O)N2CCOCC2)CC1 Fc1ccccc1C[*:1] O=C(N[*:1])C1CCN(CC1)c1ncccc1S(=O)(=O)N1CCOCC1
O=C(NCc1ccccc1F)C1CCN(c2ncccc2S(=O)(=O)N2CCOCC2)CC1 O=S(=O)(N1CCOCC1)[*:1] O=C(NCc1ccccc1F)C1CCN(CC1)c1ncccc1[*:1]
C[C@@H]1CCc2c(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)csc2C1 FC(F)(F)[*:1] C[C@@H]1CCc2c(csc2C1)C(=O)[C@H](C#N)c1ccc(cn1)[*:1]
CCn1cc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3OC)CO4)C2=O)c2cc(OC)ccc21 COc1ccccc1C[*:1] CCn1cc(/C=C2\Oc3c(ccc4OCN(Cc43)[*:1])C2=O)c2cc(ccc21)OC
CCn1cc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccc3OC)CO4)C2=O)c2cc(OC)ccc21 COc1ccccc1[*:1] CCn1cc(/C=C2\Oc3c(ccc4OCN(Cc43)C[*:1])C2=O)c2cc(ccc21)OC
O=C(CN1CC[NH+](Cc2ccccc2Cl)CC1)/N=c1\[nH]ccs1 Clc1ccccc1[*:1] O=C(CN1CC[NH+](CC1)C[*:1])/N=c1\[nH]ccs1
COCC[C@H](C)NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl COC[*:1] C[C@@H](C[*:1])NC(=O)c1cc(c(Cl)cc1Cl)S(C)(=O)=O
COCC[C@H](C)NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl COCC[C@H](C)[*:1] CS(=O)(=O)c1cc(C(=O)N[*:1])c(Cl)cc1Cl
COCC[C@H](C)NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl COCC[*:1] C[C@H](NC(=O)c1cc(c(Cl)cc1Cl)S(C)(=O)=O)[*:1]
COCC[C@H](C)NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl CS(=O)(=O)[*:1] COCC[C@H](C)NC(=O)c1cc(c(Cl)cc1Cl)[*:1]
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)[*:1]
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1Cl Fc1ccc(cc1)[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccc(Cl)cc1Cl
O=C(c1ccc(Cn2ccnc2)cc1)N1CCCCC[C@H]1c1ccco1 c1cn(cn1)[*:1] O=C(c1ccc(cc1)C[*:1])N1CCCCC[C@H]1c1ccco1
O=C(c1ccc(Cn2ccnc2)cc1)N1CCCCC[C@H]1c1ccco1 c1cn(cn1)C[*:1] O=C(c1ccc(cc1)[*:1])N1CCCCC[C@H]1c1ccco1
O=C(c1ccc(Cn2ccnc2)cc1)N1CCCCC[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(c1ccc(cc1)Cn1ccnc1)N1CCCCC[C@@H]1[*:1]
CN(Cc1nccs1)C(=O)NC[C@H]1CCO[C@H]1c1ccccc1 c1csc(C[*:1])n1 CN(C(=O)NC[C@H]1CCO[C@H]1c1ccccc1)[*:1]
CN(Cc1nccs1)C(=O)NC[C@H]1CCO[C@H]1c1ccccc1 c1csc(n1)[*:1] CN(C[*:1])C(=O)NC[C@H]1CCO[C@H]1c1ccccc1
CN(Cc1nccs1)C(=O)NC[C@H]1CCO[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1nccs1)C(=O)NC[C@H]1CCO[C@@H]1[*:1]
O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] O=C(NCc1nnnn1[*:1])c1ccc2OCOc2c1
C/[NH+]=C(/NCc1cn2c(C)cccc2[nH+]1)N1CC[C@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] C/[NH+]=C(/NCc1cn2c(C)cccc2[nH+]1)N1CC[C@H](C1)[*:1]
C/[NH+]=C(/NCc1cn2c(C)cccc2[nH+]1)N1CC[C@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] C/[NH+]=C(/NCc1cn2c(C)cccc2[nH+]1)N1CC[C@@H](C1)C[*:1]
COc1cc(F)cc(CNC(=O)C[C@H](O)C(C)C)c1 CC(C)[C@@H](O)[*:1] COc1cc(F)cc(c1)CNC(=O)C[*:1]
COc1cc(F)cc(CNC(=O)C[C@H](O)C(C)C)c1 CC(C)[C@@H](O)C[*:1] COc1cc(F)cc(c1)CNC(=O)[*:1]
COc1cc(F)cc(CNC(=O)C[C@H](O)C(C)C)c1 CC(C)[*:1] COc1cc(F)cc(c1)CNC(=O)C[C@H](O)[*:1]
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)CCCn2cnnn2)C1 c1nnnn1[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C1)C(=O)CCC[*:1]
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)CCCn2cnnn2)C1 c1nnnn1CCC[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C1)C(=O)[*:1]
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)CCCn2cnnn2)C1 c1nnnn1C[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C1)C(=O)CC[*:1]
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)CCCn2cnnn2)C1 c1nnnn1CC[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C1)C(=O)C[*:1]
CCOc1c(Cl)cccc1N[C@@H](C)C(=O)Nc1cccnc1Cl CCO[*:1] C[C@H](Nc1cccc(Cl)c1[*:1])C(=O)Nc1cccnc1Cl
CCOc1c(Cl)cccc1N[C@@H](C)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] CCOc1c(Cl)cccc1N[C@@H](C)C(=O)N[*:1]
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@@H]1CC12CCN(C(=O)c1cccc(-n3cccn3)c1)CC2 c1cnn(c1)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)[C@@H]1CC12CCN(CC2)C(=O)c1cccc(c1)[*:1]
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@@H]1CC12CCN(C(=O)c1cccc(-n3cccn3)c1)CC2 c1cc(cc(c1)[*:1])-n1cccn1 O=C(NCCC1C[NH+]=c2ccccc2=1)[C@@H]1CC12CCN(CC2)C(=O)[*:1]
O=c1[nH]nc(CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[nH]1 O=c1[nH]nc(CC[*:1])[nH]1 O=[N+]([O-])c1ccc(nc1-c1ccccc1)NC[*:1]
O=c1[nH]nc(CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[nH]1 O=[N+]([O-])[*:1] O=c1[nH]nc(CCCNc2ccc(c(n2)-c2ccccc2)[*:1])[nH]1
O=c1[nH]nc(CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[nH]1 c1ccc(cc1)[*:1] O=c1[nH]nc(CCCNc2ccc(c(n2)[*:1])[N+](=O)[O-])[nH]1
O=c1[nH]nc(CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[nH]1 O=c1[nH]nc([nH]1)[*:1] O=[N+]([O-])c1ccc(nc1-c1ccccc1)NCCC[*:1]
O=c1[nH]nc(CCCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[nH]1 O=c1[nH]nc(C[*:1])[nH]1 O=[N+]([O-])c1ccc(nc1-c1ccccc1)NCC[*:1]
CN(CCN1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 c1ccc(cc1)[*:1] CN(CCN1CCN(CC1)[*:1])C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C
O=C(Nc1nc2c(s1)CN(C(=O)c1cccc([N+](=O)[O-])c1)CC2)[C@@H]1CCCO1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])[C@@H]1CCCO1
O=C(Nc1nc2c(s1)CN(C(=O)c1cccc([N+](=O)[O-])c1)CC2)[C@@H]1CCCO1 O=[N+]([O-])[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1cccc(c1)[*:1])[C@@H]1CCCO1
COc1ccccc1/C=C/C(=O)Nc1ccccc1C(N)=O NC(=O)[*:1] COc1ccccc1/C=C/C(=O)Nc1ccccc1[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 COc1ccc(cc1)[*:1] CN(CC(=O)N/N=C/c1ccc2OCOc2c1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NN=C[*:1]
CN(C)c1cccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1 CN(C)[*:1] C[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cccc(c1)[*:1]
CCC[C@@](C)(CO)NC(=O)NCc1nc(C(C)(C)C)cs1 CCC[C@@](C)(CO)[*:1] CC(C)(C)c1csc(CNC(=O)N[*:1])n1
CCC[C@@](C)(CO)NC(=O)NCc1nc(C(C)(C)C)cs1 CCC[*:1] CC(C)(C)c1csc(CNC(=O)N[C@@](C)(CO)[*:1])n1
CCC[C@@](C)(CO)NC(=O)NCc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CCC[C@@](C)(CO)NC(=O)NCc1nc(cs1)[*:1]
Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccccc1F Fc1ccccc1[*:1] Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)[*:1]
Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccccc1F c1cc2OCCOc2cc1[*:1] Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1F
Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccccc1F Cn1ccnc1[*:1] O=C(N[C@@H](c1ccccc1F)[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(F)c1)C(C)C Fc1cccc(c1)[*:1] CCOc1ccccc1C(=O)N[C@H](C(=O)N[*:1])C(C)C
CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(F)c1)C(C)C CCO[*:1] CC(C)[C@H](NC(=O)c1ccccc1[*:1])C(=O)Nc1cccc(F)c1
CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(F)c1)C(C)C CC(C)[*:1] CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(F)c1)[*:1]
CCCNC(=O)N(C)[C@@H](C)c1ccccc1OC CCC[*:1] COc1ccccc1[C@H](C)N(C)C(=O)N[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1cccnc1SC(F)F CC(C)[*:1] CCN(CC(=O)N[*:1])C(=O)c1cccnc1SC(F)F
CCN(CC(=O)NC(C)C)C(=O)c1cccnc1SC(F)F FC(F)[*:1] CCN(CC(=O)NC(C)C)C(=O)c1cccnc1S[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1cccnc1SC(F)F CC(C)NC(=O)[*:1] CCN(C[*:1])C(=O)c1cccnc1SC(F)F
CCN(CC(=O)NC(C)C)C(=O)c1cccnc1SC(F)F FC(F)S[*:1] CCN(CC(=O)NC(C)C)C(=O)c1cccnc1[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1cccnc1SC(F)F CC(C)NC(=O)C[*:1] CCN(C(=O)c1cccnc1SC(F)F)[*:1]
COC(=O)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1F)[*:1]
COC(=O)c1ccc([N+](=O)[O-])cc1F COC(=O)[*:1] O=[N+]([O-])c1ccc(c(F)c1)[*:1]
CCOc1ccc2oc(C(=O)Nc3ccc(OC)c(S(=O)(=O)N(C)C)c3)c(C)c2c1 CN(C)S(=O)(=O)[*:1] CCOc1ccc2oc(C(=O)Nc3ccc(OC)c(c3)[*:1])c(C)c2c1
CCOc1ccc2oc(C(=O)Nc3ccc(OC)c(S(=O)(=O)N(C)C)c3)c(C)c2c1 CCO[*:1] COc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)c1oc2ccc(cc2c1C)[*:1]
CC(C)(C)C(=O)NNC(=O)CNC(=O)c1sc2ccccc2c1Cl CC(C)(C)[*:1] O=C(CNC(=O)c1sc2ccccc2c1Cl)NNC(=O)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@H](N(Cc1cccnc1)C(=O)c1csnn1)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@H](c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1
O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1 c1cncc(c1)[*:1] O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C[*:1])C(=O)c1csnn1
O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1 c1cncc(c1)C[*:1] O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)c1csnn1)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1 O=C(NC1CCCCC1)[*:1] O=C(c1csnn1)N(Cc1cccnc1)[C@@H](c1ccccc1)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1 c1snnc1[*:1] O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1cccnc1)C(=O)[*:1]
Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c(Cl)n1 Cc1ccc(c(Cl)n1)[*:1] O=C(N[*:1])C(=O)N1CCC(CC1)[NH+]1CCCC1
O=C(CCC1=c2ccccc2=[NH+][C@@H]1c1ccc(F)cc1)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(CCC1=c2ccccc2=[NH+][C@@H]1c1ccc(F)cc1)N1CCN(CC1)[*:1]
O=C(CCC1=c2ccccc2=[NH+][C@@H]1c1ccc(F)cc1)N1CCN(c2ccccc2O)CC1 Fc1ccc(cc1)[*:1] O=C(CCC1=c2ccccc2=[NH+][C@H]1[*:1])N1CCN(CC1)c1ccccc1O
Cc1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])CN1CCCC[C@H]1c1[nH]cc[nH+]1
Cn1cccc(C(=O)N2CCCSC[C@@H]2CN2CCOCC2)c1=O C1CN(CCO1)[*:1] Cn1cccc(C(=O)N2CCCSC[C@@H]2C[*:1])c1=O
Cn1cccc(C(=O)N2CCCSC[C@@H]2CN2CCOCC2)c1=O C1CN(CCO1)C[*:1] Cn1cccc(C(=O)N2CCCSC[C@H]2[*:1])c1=O
Cn1cccc(C(=O)N2CCCSC[C@@H]2CN2CCOCC2)c1=O Cn1cccc(c1=O)[*:1] O=C(N1CCCSC[C@@H]1CN1CCOCC1)[*:1]
O=C(c1cc(Cc2ccccc2)ccc1O)N1CCCC[C@H]1c1ncc[nH]1 c1c[nH]c(n1)[*:1] O=C(c1cc(ccc1O)Cc1ccccc1)N1CCCC[C@@H]1[*:1]
O=C(c1cc(Cc2ccccc2)ccc1O)N1CCCC[C@H]1c1ncc[nH]1 c1ccc(cc1)C[*:1] O=C(c1cc(ccc1O)[*:1])N1CCCC[C@H]1c1ncc[nH]1
O=C(c1cc(Cc2ccccc2)ccc1O)N1CCCC[C@H]1c1ncc[nH]1 c1ccc(cc1)[*:1] O=C(c1cc(ccc1O)C[*:1])N1CCCC[C@H]1c1ncc[nH]1
CN(C)c1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)ccn1 CN(C)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccnc(c1)[*:1])C1CC1
CN(C)c1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)ccn1 C1CC1[*:1] CN(C)c1cc(ccn1)C(=O)NC[C@H]([NH+](C)C)[*:1]
COc1cc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)/C=C/c1ccc(O)c(c1)[N+](=O)[O-]
COc1cc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)/C=C/c1ccc(O)c(c1)[N+](=O)[O-]
COc1cc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)ccc1OC(F)F O=[N+]([O-])[*:1] COc1cc(ccc1OC(F)F)C(=O)/C=C/c1ccc(O)c(c1)[*:1]
Cn1cnc2cc(-c3noc(-c4ccco4)n3)ccc21 c1coc(c1)[*:1] Cn1cnc2cc(ccc21)-c1noc(n1)[*:1]
O=C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 O=[N+]([O-])[*:1] O=C1CCN(C(=O)c2n[nH]cc2[*:1])[C@H]2CCCC[C@H]12
C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@]1(O)CCc2ccccc21 Clc1ncccc1[*:1] C[C@@H](CC(=O)N[*:1])[NH2+]C[C@@]1(O)CCc2ccccc21
CCC[NH2+][C@H](C)c1cccc(O[C@H](C)C(=O)NC)c1 CNC(=O)[C@@H](C)[*:1] CCC[NH2+][C@H](C)c1cccc(c1)O[*:1]
CCC[NH2+][C@H](C)c1cccc(O[C@H](C)C(=O)NC)c1 CNC(=O)[*:1] CCC[NH2+][C@H](C)c1cccc(c1)O[C@H](C)[*:1]
CCC[NH2+][C@H](C)c1cccc(O[C@H](C)C(=O)NC)c1 CCC[*:1] CNC(=O)[C@@H](C)Oc1cccc(c1)[C@@H](C)[NH2+][*:1]
Cc1noc(C)c1S(=O)(=O)N(CCC#N)CCC(F)(F)F FC(F)(F)C[*:1] Cc1noc(C)c1S(=O)(=O)N(CCC#N)C[*:1]
Cc1noc(C)c1S(=O)(=O)N(CCC#N)CCC(F)(F)F N#CC[*:1] Cc1noc(C)c1S(=O)(=O)N(CCC(F)(F)F)C[*:1]
Cc1noc(C)c1S(=O)(=O)N(CCC#N)CCC(F)(F)F Cc1noc(C)c1[*:1] N#CCCN(CCC(F)(F)F)S(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N(CCC#N)CCC(F)(F)F FC(F)(F)[*:1] Cc1noc(C)c1S(=O)(=O)N(CCC#N)CC[*:1]
Cc1noc(C)c1S(=O)(=O)N(CCC#N)CCC(F)(F)F N#CCC[*:1] Cc1noc(C)c1S(=O)(=O)N(CCC(F)(F)F)[*:1]
Cc1noc(C)c1S(=O)(=O)N(CCC#N)CCC(F)(F)F FC(F)(F)CC[*:1] Cc1noc(C)c1S(=O)(=O)N(CCC#N)[*:1]
O=C(c1cscn1)N1CCC[C@@H](Cc2ccccn2)C1 c1nc(cs1)[*:1] O=C(N1CCC[C@@H](Cc2ccccn2)C1)[*:1]
O=C(c1cscn1)N1CCC[C@@H](Cc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(c1cscn1)N1CCC[C@H](C1)C[*:1]
NC(=O)c1sc2c(c1N)[C@H](c1ccccc1)CC(O)=N2 c1ccc(cc1)[*:1] NC(=O)c1sc2N=C(O)C[C@@H](c2c1N)[*:1]
NC(=O)c1sc2c(c1N)[C@H](c1ccccc1)CC(O)=N2 NC(=O)[*:1] Nc1c(sc2N=C(O)C[C@@H](c3ccccc3)c21)[*:1]
NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)C1 NC(=O)[*:1] O=C(N[C@@H]1CCC[C@@H](C1)[*:1])c1cc(ccc1Cl)N1CCCC1=O
NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)C1 O=C1CCCN1[*:1] NC(=O)[C@H]1CCC[C@H](C1)NC(=O)c1cc(ccc1Cl)[*:1]
C[C@@H](C(=O)Nc1ccc(F)cc1)n1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])n1nnc2sc3C[C@H](C)CCc3c2c1=O
CC1(C)CC(NC(=O)NC[C@@H]2CCC[C@@H](O)C2)CC(C)(C)[NH2+]1 O[C@@H]1CCC[C@H](C1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)NC[*:1]
Cc1cc(=O)n(C)cc1NC(=O)c1cn(C)nc1-c1cccs1 c1csc(c1)[*:1] Cc1cc(=O)n(C)cc1NC(=O)c1cn(C)nc1[*:1]
CNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] CNC(=O)[*:1] O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cc(Cl)ccc1[*:1]
CNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] CNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
CCc1nsc(N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)n1 CCc1nsc(n1)[*:1] Cc1cc(cnc1N1CCN(CC1)[*:1])[N+](=O)[O-]
CCc1nsc(N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)n1 O=[N+]([O-])[*:1] CCc1nsc(n1)N1CCN(CC1)c1ncc(cc1C)[*:1]
CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCN(C(=O)c1cc(c(C)c(c1)[N+](=O)[O-])[N+](=O)[O-])[*:1]
CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc(C)cc1C O=[N+]([O-])[*:1] CCN(C(=O)c1cc(c(C)c(c1)[*:1])[N+](=O)[O-])c1ccc(C)cc1C
CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(cc1)[*:1]
CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc([S@](C)=O)cc1 Clc1ccccc1O[*:1] CC[C@H](C(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc([S@](C)=O)cc1 Clc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)NCc1ccc(cc1)[S@](C)=O
CS(=O)(=O)Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 c1ccc(cc1)[*:1] CS(=O)(=O)Cc1cccc(c1)C(=O)N[C@@H](c1ccccn1)[*:1]
CS(=O)(=O)Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 CS(=O)(=O)[*:1] O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc(c1)C[*:1]
CS(=O)(=O)Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 c1ccc(nc1)[*:1] CS(=O)(=O)Cc1cccc(c1)C(=O)N[C@@H](c1ccccc1)[*:1]
CS(=O)(=O)Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 CS(=O)(=O)C[*:1] O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc(c1)[*:1]
C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 O=[N+]([O-])[*:1] C[C@@H]1CN(CC[NH2+]1)Cc1csc(n1)-c1cccc(c1)[*:1]
C#Cc1cc(F)c(NC(=O)NCC2(CC)CC2)c(F)c1 CCC1(CC1)[*:1] C#Cc1cc(F)c(NC(=O)NC[*:1])c(F)c1
C#Cc1cc(F)c(NC(=O)NCC2(CC)CC2)c(F)c1 CCC1(CC1)C[*:1] C#Cc1cc(F)c(NC(=O)N[*:1])c(F)c1
CCCn1nc(-n2cnnc2)c(NC(=O)c2cccc(Cl)c2)c1C c1nncn1[*:1] CCCn1nc(c(NC(=O)c2cccc(Cl)c2)c1C)[*:1]
CCCn1nc(-n2cnnc2)c(NC(=O)c2cccc(Cl)c2)c1C Clc1cccc(c1)[*:1] CCCn1nc(c(NC(=O)[*:1])c1C)-n1cnnc1
CCCn1nc(-n2cnnc2)c(NC(=O)c2cccc(Cl)c2)c1C CCC[*:1] Cc1c(NC(=O)c2cccc(Cl)c2)c(nn1[*:1])-n1cnnc1
CCOCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 CCO[*:1] O=C(Nc1nnc(CC[*:1])s1)c1ccc(cc1Cl)[N+](=O)[O-]
CCOCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 CCOC[*:1] O=C(Nc1nnc(C[*:1])s1)c1ccc(cc1Cl)[N+](=O)[O-]
CCOCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 O=[N+]([O-])[*:1] CCOCCc1nnc(NC(=O)c2ccc(cc2Cl)[*:1])s1
CCOCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 CCOCC[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
CNS(=O)(=O)c1cccc(NC(=O)N2CCC[NH+](C(C)C)CC2)c1C CC(C)[*:1] CNS(=O)(=O)c1cccc(NC(=O)N2CCC[NH+](CC2)[*:1])c1C
CNS(=O)(=O)c1cccc(NC(=O)N2CCC[NH+](C(C)C)CC2)c1C CNS(=O)(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)N1CCC[NH+](CC1)C(C)C
CS(=O)(=O)c1ccc(Cl)c(NC(=O)OCCO)c1 OCC[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)NC(=O)O[*:1]
CS(=O)(=O)c1ccc(Cl)c(NC(=O)OCCO)c1 CS(=O)(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])OCCO
CCCCc1nnc([N-]S(=O)(=O)c2ccc(C)cc2F)s1 CCCC[*:1] Cc1ccc(c(F)c1)S(=O)(=O)[N-]c1nnc(s1)[*:1]
CCCCc1nnc([N-]S(=O)(=O)c2ccc(C)cc2F)s1 CCC[*:1] Cc1ccc(c(F)c1)S(=O)(=O)[N-]c1nnc(C[*:1])s1
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[*:1]
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCC[*:1]
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[*:1]
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCN1CCOCC1 Clc1ccc(c(Cl)c1)[*:1] Cc1nn(c(C)c1CC(=O)NCCN1CCOCC1)[*:1]
Cc1ncc([C@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 CS(=O)(=O)[*:1] Cc1ncc(s1)[C@H](C)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1ncc([C@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 Cc1ncc(s1)[*:1] C[C@H](N[C@@H](C)[*:1])c1ccc(cc1)S(C)(=O)=O
CCN(C(=O)NCCc1cccc(C(=O)N(C)C)c1)C1CC1 CN(C)C(=O)[*:1] CCN(C(=O)NCCc1cccc(c1)[*:1])C1CC1
CCN(C(=O)NCCc1cccc(C(=O)N(C)C)c1)C1CC1 C1CC1[*:1] CCN(C(=O)NCCc1cccc(c1)C(=O)N(C)C)[*:1]
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(F)c1)c1ccco1 C1CO[C@H](C1)C[*:1] O=C(C1=C(O)C(=O)N([C@H]1c1cccc(F)c1)[*:1])c1ccco1
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(F)c1)c1ccco1 c1coc(c1)[*:1] O=C1C(O)=C(C(=O)[*:1])[C@H](c2cccc(F)c2)N1C[C@H]1CCCO1
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(F)c1)c1ccco1 C1CO[C@H](C1)[*:1] O=C(C1=C(O)C(=O)N(C[*:1])[C@H]1c1cccc(F)c1)c1ccco1
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(F)c1)c1ccco1 O=C(c1ccco1)[*:1] O=C1C(O)=C([C@H](c2cccc(F)c2)N1C[C@H]1CCCO1)[*:1]
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(F)c1)c1ccco1 Fc1cccc(c1)[*:1] O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1[*:1])c1ccco1
C[C@H](NC(=O)c1ncoc1-c1ccco1)c1noc(Cc2ccccc2)n1 c1coc(c1)[*:1] C[C@H](NC(=O)c1ncoc1[*:1])c1noc(Cc2ccccc2)n1
C[C@H](NC(=O)c1ncoc1-c1ccco1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ncoc1-c1ccco1)c1noc(C[*:1])n1
C[C@H](NC(=O)c1ncoc1-c1ccco1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)c1ncoc1-c1ccco1)c1noc(n1)[*:1]
O=C(Nc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1nnc(s1)C1CC1)c1ccc(cc1)[*:1]
O=C(Nc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 C1CC1[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)NCc1cccs1 c1csc(c1)[*:1] O=C(CSc1nc2sc3CCCCc3c2c(=O)n1C1CCCC1)NC[*:1]
O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)NCc1cccs1 C1CCC(C1)[*:1] O=C(CSc1nc2sc3CCCCc3c2c(=O)n1[*:1])NCc1cccs1
O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)NCc1cccs1 O=C(NCc1cccs1)[*:1] O=c1c2c3CCCCc3sc2nc(SC[*:1])n1C1CCCC1
O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)NCc1cccs1 c1csc(c1)C[*:1] O=C(CSc1nc2sc3CCCCc3c2c(=O)n1C1CCCC1)N[*:1]
O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)NCc1cccs1 O=C(C[*:1])NCc1cccs1 O=c1c2c3CCCCc3sc2nc(S[*:1])n1C1CCCC1
CC[C@H](C)C[NH2+][C@H](c1ccc(F)c(F)c1)c1ncon1 CC[C@H](C)[*:1] Fc1ccc(cc1F)[C@@H]([NH2+]C[*:1])c1ncon1
CC[C@H](C)C[NH2+][C@H](c1ccc(F)c(F)c1)c1ncon1 c1nc(no1)[*:1] CC[C@H](C)C[NH2+][C@H](c1ccc(F)c(F)c1)[*:1]
CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(C[C@H]1CCCO1)C3 C1CO[C@H](C1)[*:1] CCc1cc(=O)oc2c3CN(COc3c(Cl)cc12)C[*:1]
CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(C[C@H]1CCCO1)C3 C1CO[C@H](C1)C[*:1] CCc1cc(=O)oc2c3CN(COc3c(Cl)cc12)[*:1]
C[C@H](NCCc1ccc(F)cc1)c1nc2c(s1)CCCC2 Fc1ccc(cc1)[*:1] C[C@H](NCC[*:1])c1nc2CCCCc2s1
Cc1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])s1 c1ccc(cc1)C[*:1] Cc1nc(C)c(s1)C(=O)N[C@@H](C(=O)[O-])[*:1]
Cc1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])s1 O=C([O-])[*:1] Cc1nc(C)c(s1)C(=O)N[C@@H](Cc1ccccc1)[*:1]
Cc1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])s1 Cc1nc(C)c(s1)[*:1] O=C([O-])[C@H](Cc1ccccc1)NC(=O)[*:1]
Cc1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)N[C@@H](C[*:1])C(=O)[O-]
COc1ccc(C)c(NC(=O)C(=O)NCc2ncoc2C)c1 Cc1ocnc1[*:1] COc1ccc(C)c(c1)NC(=O)C(=O)NC[*:1]
COc1ccc(C)c(NC(=O)C(=O)NCc2ncoc2C)c1 Cc1ocnc1C[*:1] COc1ccc(C)c(c1)NC(=O)C(=O)N[*:1]
COc1ccc([C@H](NC(=O)N[C@@H](C)c2nc(C)cs2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)N[C@@H](C)c1nc(C)cs1)[*:1]
COc1ccc([C@H](NC(=O)N[C@@H](C)c2nc(C)cs2)C2CCOCC2)cc1 Cc1csc(n1)[*:1] COc1ccc(cc1)[C@H](NC(=O)N[C@@H](C)[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)N[C@@H](C)c2nc(C)cs2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)N[C@H](C1CCOCC1)[*:1]
Cc1nc(CCC(=O)NNC(=O)Cc2ccncc2)oc1-c1ccccc1 c1cc(ccn1)C[*:1] Cc1nc(CCC(=O)NNC(=O)[*:1])oc1-c1ccccc1
Cc1nc(CCC(=O)NNC(=O)Cc2ccncc2)oc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(CCC(=O)NNC(=O)Cc2ccncc2)oc1[*:1]
Cc1nc(CCC(=O)NNC(=O)Cc2ccncc2)oc1-c1ccccc1 c1cc(ccn1)[*:1] Cc1nc(CCC(=O)NNC(=O)C[*:1])oc1-c1ccccc1
CSc1ncccc1C(=O)NCCCC(=O)[O-] O=C([O-])C[*:1] CSc1ncccc1C(=O)NCC[*:1]
CSc1ncccc1C(=O)NCCCC(=O)[O-] O=C([O-])[*:1] CSc1ncccc1C(=O)NCCC[*:1]
CSc1ncccc1C(=O)NCCCC(=O)[O-] O=C([O-])CC[*:1] CSc1ncccc1C(=O)NC[*:1]
CCc1[nH+]ccn1CCN1CCN(C(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCc1[nH+]ccn1CCN1CCN(CC1)C(=O)N[*:1]
COc1ncc(Cl)c(NCc2cccc(-c3nc[nH]n3)c2)n1 c1nc(n[nH]1)[*:1] COc1ncc(Cl)c(n1)NCc1cccc(c1)[*:1]
C[C@H](NC(=O)[C@H]1COc2ccccc2O1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)[C@H]1COc2ccccc2O1)[*:1]
CCCCS(=O)(=O)Oc1cccc(C=O)c1 CCC[*:1] O=Cc1cccc(c1)OS(=O)(=O)C[*:1]
CCCCS(=O)(=O)Oc1cccc(C=O)c1 CCCC[*:1] O=Cc1cccc(c1)OS(=O)(=O)[*:1]
N#CCCCC[NH+]1CCc2ccc(N)cc2C1 N#CCCC[*:1] Nc1ccc2CC[NH+](Cc2c1)C[*:1]
N#CCCCC[NH+]1CCc2ccc(N)cc2C1 N#CC[*:1] Nc1ccc2CC[NH+](CCC[*:1])Cc2c1
N#CCCCC[NH+]1CCc2ccc(N)cc2C1 N#CCC[*:1] Nc1ccc2CC[NH+](CC[*:1])Cc2c1
CN(Cc1ccccc1C(F)(F)F)C(=O)NCCOc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccccc1C(F)(F)F)C(=O)NCCO[*:1]
CN(Cc1ccccc1C(F)(F)F)C(=O)NCCOc1ccccc1 FC(F)(F)[*:1] CN(Cc1ccccc1[*:1])C(=O)NCCOc1ccccc1
CN(Cc1ccccc1C(F)(F)F)C(=O)NCCOc1ccccc1 c1ccc(cc1)O[*:1] CN(Cc1ccccc1C(F)(F)F)C(=O)NCC[*:1]
CN(Cc1ccccc1C(F)(F)F)C(=O)NCCOc1ccccc1 c1ccc(cc1)OC[*:1] CN(Cc1ccccc1C(F)(F)F)C(=O)NC[*:1]
Cc1cc(C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)n[nH]1 Cc1cccc(c1C)[*:1] Cc1cc(C[C@@H](C)[NH2+][C@@H](C)CC(=O)N[*:1])n[nH]1
Cc1cc(C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)n[nH]1 Cc1cc(n[nH]1)[*:1] Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)C[*:1])c1C
Cc1cc(C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)n[nH]1 Cc1cc(C[*:1])n[nH]1 Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[*:1])c1C
Cc1cc(C(=O)N[C@H](C)CC(=O)c2ccco2)c(C)cc1Br O=C(c1ccco1)[*:1] Cc1cc(C(=O)N[C@H](C)C[*:1])c(C)cc1Br
Cc1cc(C(=O)N[C@H](C)CC(=O)c2ccco2)c(C)cc1Br c1coc(c1)[*:1] Cc1cc(C(=O)N[C@H](C)CC(=O)[*:1])c(C)cc1Br
Cc1sc(=O)n(CCC(=O)NCC(C)(C)c2ccc(Br)cc2)c1C Cc1sc(=O)n(c1C)[*:1] CC(C)(CNC(=O)CC[*:1])c1ccc(Br)cc1
Cc1sc(=O)n(CCC(=O)NCC(C)(C)c2ccc(Br)cc2)c1C Brc1ccc(cc1)[*:1] Cc1sc(=O)n(CCC(=O)NCC(C)(C)[*:1])c1C
COc1ccc(Cl)cc1CNC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] COc1ccc(Cl)cc1CNC(=O)c1ccc(cc1)[*:1]
CCSc1nc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1 CCS[*:1] O=C(Cn1c(nc2ccccc21)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
CCSc1nc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCSc1nc2ccccc2n1CC(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CC(C)C)CC2)c1C CC(C)C[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CC(C)C)CC2)c1C CC(C)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
CC1CCC([NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 CC1CCC(CC1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](CC1)[*:1]
CC1CCC([NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 Clc1ccc(cc1)[*:1] CC1CCC(CC1)[NH+]1CCN(CC1)S(=O)(=O)[*:1]
O=C(N[C@H]1N=C2[C@H](CC[C@@H]2C(=O)NCCc2c[nH]c3ccccc23)S1)c1ccc(F)cc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@H]1N=C2[C@H](CC[C@@H]2C(=O)NCC[*:1])S1)c1ccc(F)cc1
O=C(N[C@H]1N=C2[C@H](CC[C@@H]2C(=O)NCCc2c[nH]c3ccccc23)S1)c1ccc(F)cc1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(N[C@H]1N=C2[C@H](CC[C@@H]2C(=O)NC[*:1])S1)c1ccc(F)cc1
O=C(N[C@H]1N=C2[C@H](CC[C@@H]2C(=O)NCCc2c[nH]c3ccccc23)S1)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC[C@@H]2S[C@H](N=C21)[*:1]
O=C(N[C@H]1N=C2[C@H](CC[C@@H]2C(=O)NCCc2c[nH]c3ccccc23)S1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC[C@@H]2S[C@H](N=C21)NC(=O)[*:1]
O=C(N[C@@H]1COC2(CCCC2)C1)[C@H]1C=NN=C1c1cccs1 c1csc(c1)[*:1] O=C(N[C@@H]1COC2(CCCC2)C1)[C@H]1C=NN=C1[*:1]
C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(c4ccccc4)C(=O)N=C3[O-])[C@H]12 c1ccc(cc1)[*:1] C[C@@H]1O[C@H](C)CN2c3ccc(cc3C[C@@]3(C(=O)N(C(=O)N=C3[O-])[*:1])[C@H]12)[N+](=O)[O-]
C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(c4ccccc4)C(=O)N=C3[O-])[C@H]12 O=[N+]([O-])[*:1] C[C@@H]1O[C@H](C)CN2c3ccc(cc3C[C@@]3(C(=O)N(C(=O)N=C3[O-])c3ccccc3)[C@H]12)[*:1]
Clc1cccnc1OCC[NH2+]C1CCN(c2ccccc2)CC1 Clc1cccnc1[*:1] c1ccc(cc1)N1CCC(CC1)[NH2+]CCO[*:1]
Clc1cccnc1OCC[NH2+]C1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Clc1cccnc1OCC[NH2+]C1CCN(CC1)[*:1]
NC(=O)c1cccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])c1cc(F)c(Cl)cc1Cl
c1cc(C2OCCO2)ccc1C[NH2+]Cc1cnc(N2CCOCC2)nc1 C1COC(O1)[*:1] c1cc(ccc1C[NH2+]Cc1cnc(nc1)N1CCOCC1)[*:1]
c1cc(C2OCCO2)ccc1C[NH2+]Cc1cnc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] c1cc(ccc1C[NH2+]Cc1cnc(nc1)[*:1])C1OCCO1
COCc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(F)c2)cc1 COC[*:1] Cc1ccc(cc1F)C(=O)/C(C#N)=C\c1ccc(cc1)[*:1]
CC[C@H](C(N)=S)S(=O)(=O)N1CCC(CC)(CC)C1 CC[C@H](C(N)=S)[*:1] CCC1(CC)CCN(C1)S(=O)(=O)[*:1]
CC[C@H](C(N)=S)S(=O)(=O)N1CCC(CC)(CC)C1 NC(=S)[*:1] CC[C@H](S(=O)(=O)N1CCC(CC)(CC)C1)[*:1]
COc1ccc(CCSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
COc1ccc(CCSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCC[*:1])N2c1ccccc1
COc1ccc(CCSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 COc1ccc(cc1)C[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N=C(SC[*:1])N2c1ccccc1
CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccccc1[*:1]
CCN(C[C@H]1CCOC1)C(=O)NCCCc1cccc(Br)c1 C1C[C@@H](CO1)C[*:1] CCN(C(=O)NCCCc1cccc(Br)c1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)NCCCc1cccc(Br)c1 Brc1cccc(c1)[*:1] CCN(C[C@H]1CCOC1)C(=O)NCCC[*:1]
COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H](CNc1ccc(cn1)[*:1])[NH+]1CCCC1
COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(nc1)NC[C@@H]([NH+]1CCCC1)[*:1]
C=CCc1ccccc1O[C@H]1C[NH2+][C@H](C(=O)OC)C1 C=CC[*:1] COC(=O)[C@@H]1C[C@H](C[NH2+]1)Oc1ccccc1[*:1]
C=CCc1ccccc1O[C@H]1C[NH2+][C@H](C(=O)OC)C1 COC(=O)[*:1] C=CCc1ccccc1O[C@H]1C[NH2+][C@H](C1)[*:1]
CCCCO[C@H](C)/C([O-])=N/S(=O)(=O)c1c(C)nn(C)c1C CCC[*:1] Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\[O-])[C@@H](C)OC[*:1]
CCCCO[C@H](C)/C([O-])=N/S(=O)(=O)c1c(C)nn(C)c1C CCCC[*:1] Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\[O-])[C@@H](C)O[*:1]
CCCCO[C@H](C)/C([O-])=N/S(=O)(=O)c1c(C)nn(C)c1C CCCCO[C@H](C)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\[O-])[*:1]
CCCCO[C@H](C)/C([O-])=N/S(=O)(=O)c1c(C)nn(C)c1C CCCCO[*:1] Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\[O-])[C@@H](C)[*:1]
CC(C)(CO)NC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 Clc1ccccc1C[*:1] CC(C)(CO)NC(=O)Nc1ccc(cc1)O[*:1]
CC(C)(CO)NC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 CC(C)(CO)[*:1] O=C(Nc1ccc(cc1)OCc1ccccc1Cl)N[*:1]
CC(C)(CO)NC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CC(C)(CO)NC(=O)Nc1ccc(cc1)OC[*:1]
O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
O=C(NC1CCN(C(=S)Nc2ccccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2 Clc1ccccc1[*:1] O=C(NC1CCN(CC1)C(=S)N[*:1])C12CC3CC(CC(C3)C1)C2
C[C@H](NC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1)C(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)[C@H]1C[C@H]1C)[*:1]
C[C@H](NC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1)C(C)(C)C C[C@H](C(C)(C)C)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)N[*:1]
C[C@H](NC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1)C(C)(C)C C[C@@H]1C[C@@H]1[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)[*:1])C(C)(C)C
O=C(c1ccc(COc2ccccc2F)o1)N1CCCc2ccccc21 Fc1ccccc1O[*:1] O=C(c1ccc(C[*:1])o1)N1CCCc2ccccc21
O=C(c1ccc(COc2ccccc2F)o1)N1CCCc2ccccc21 Fc1ccccc1[*:1] O=C(c1ccc(CO[*:1])o1)N1CCCc2ccccc21
Cc1cccc(NC(=O)NCC(=O)Nc2cnc3ccccc3c2)c1 Cc1cccc(c1)[*:1] O=C(CNC(=O)N[*:1])Nc1cnc2ccccc2c1
CO[C@@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 O=[N+]([O-])[*:1] CO[C@@H]1CCCN(C1)C(=O)NCCOc1ccc(cc1)[*:1]
CCCCc1ccc(Nc2nc(=O)[nH]nc2C)cc1 CCC[*:1] Cc1n[nH]c(=O)nc1Nc1ccc(cc1)C[*:1]
CCCCc1ccc(Nc2nc(=O)[nH]nc2C)cc1 CCCC[*:1] Cc1n[nH]c(=O)nc1Nc1ccc(cc1)[*:1]
Cc1ccc2nc(N3CCC[C@@H](C(=O)N4CC[NH+](C5CCCCC5)CC4)C3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] O=C([C@@H]1CCCN(C1)[*:1])N1CC[NH+](CC1)C1CCCCC1
N#CCOc1cccc(CC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1 Clc1ccccc1C[*:1] N#CCOc1cccc(c1)CC(=O)N1CCC[C@H]1[*:1]
N#CCOc1cccc(CC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])N1CCC[C@@H]1Cc1ccccc1Cl
N#CCOc1cccc(CC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] N#CCOc1cccc(c1)CC(=O)N1CCC[C@@H]1C[*:1]
N#CCOc1cccc(CC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])N1CCC[C@@H]1Cc1ccccc1Cl
CC(C)[C@H](C)S(=O)(=O)CC(=O)N1CCC[C@H](C)C1 CC(C)[C@H](C)[*:1] C[C@H]1CCCN(C1)C(=O)CS(=O)(=O)[*:1]
CC(C)[C@H](C)S(=O)(=O)CC(=O)N1CCC[C@H](C)C1 CC(C)[*:1] C[C@H]1CCCN(C1)C(=O)CS(=O)(=O)[C@@H](C)[*:1]
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Cc1cccc2cccnc12 Fc1ccc(F)c(c1)[*:1] C[C@H](N(C)C(=O)Cc1cccc2cccnc12)[*:1]
O=C(Nc1cnc2ccccc2n1)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] O=C(Nc1cnc2ccccc2n1)c1ccc(cc1)C[*:1]
O=C(Nc1cnc2ccccc2n1)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1C[*:1] O=C(Nc1cnc2ccccc2n1)c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3C)C2)s1 Cc1ccc(s1)[*:1] Cc1cccc(NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)[*:1])c1C
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3C)C2)s1 Cc1cccc(c1C)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)c2cnn(C)c2-n2cccc2)C1 CC(=O)N[*:1] Cn1ncc(C(=O)N2CCC[C@@H](C2)C[*:1])c1-n1cccc1
CC(=O)NC[C@H]1CCCN(C(=O)c2cnn(C)c2-n2cccc2)C1 CC(=O)NC[*:1] Cn1ncc(C(=O)N2CCC[C@@H](C2)[*:1])c1-n1cccc1
CC(=O)NC[C@H]1CCCN(C(=O)c2cnn(C)c2-n2cccc2)C1 c1ccn(c1)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)c1cnn(C)c1[*:1]
Cc1nc2ccccn2c1C(=O)N(CCc1ccccc1)Cc1ccccn1 c1ccc(C[*:1])nc1 Cc1nc2ccccn2c1C(=O)N(CCc1ccccc1)[*:1]
Cc1nc2ccccn2c1C(=O)N(CCc1ccccc1)Cc1ccccn1 c1ccc(cc1)C[*:1] Cc1nc2ccccn2c1C(=O)N(Cc1ccccn1)C[*:1]
Cc1nc2ccccn2c1C(=O)N(CCc1ccccc1)Cc1ccccn1 c1ccc(cc1)[*:1] Cc1nc2ccccn2c1C(=O)N(CC[*:1])Cc1ccccn1
Cc1nc2ccccn2c1C(=O)N(CCc1ccccc1)Cc1ccccn1 c1ccc(cc1)CC[*:1] Cc1nc2ccccn2c1C(=O)N(Cc1ccccn1)[*:1]
Cc1nc2ccccn2c1C(=O)N(CCc1ccccc1)Cc1ccccn1 c1ccc(nc1)[*:1] Cc1nc2ccccn2c1C(=O)N(CCc1ccccc1)C[*:1]
CC(C)CNC(=O)NCc1ccc(S(N)(=O)=O)cc1 CC(C)[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)NC[*:1]
CC(C)CNC(=O)NCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CC(C)CNC(=O)NCc1ccc(cc1)[*:1]
CC(C)CNC(=O)NCc1ccc(S(N)(=O)=O)cc1 CC(C)C[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)N[*:1]
Cc1ccccc1[C@@H](Cc1c(Cl)cccc1Cl)C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1[C@@H](Cc1c(Cl)cccc1Cl)[*:1]
C[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C[NH+]1CCCC1 C[NH+]1CCN(CC1)[*:1] C[C@@H](C[NH2+]Cc1c(Cl)cccc1[*:1])C[NH+]1CCCC1
O=C(Nc1ccc2c(c1)OCO2)Nc1nccn(-c2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)Nc1nccn(c1=O)[*:1]
COC[C@@H]1CCCN1c1snc(Cl)c1C#N COC[*:1] N#Cc1c(Cl)nsc1N1CCC[C@H]1[*:1]
COc1cc(NC[C@H]2CCCN2C(=O)OC(C)(C)C)ncn1 CC(C)(C)[*:1] COc1cc(ncn1)NC[C@H]1CCCN1C(=O)O[*:1]
CN(C(=O)CSCCCN1C(=O)c2ccccc2C1=O)C1CC1 CN(C(=O)[*:1])C1CC1 O=C1c2ccccc2C(=O)N1CCCSC[*:1]
CN(C(=O)CSCCCN1C(=O)c2ccccc2C1=O)C1CC1 C1CC1[*:1] CN(C(=O)CSCCCN1C(=O)c2ccccc2C1=O)[*:1]
COc1ccc([C@@H](C)[C@H](C)Br)c(C)c1 C[C@H](Br)[*:1] COc1ccc(c(C)c1)[C@@H](C)[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccs2)n2nc(-c3cccnc3)nc2N1 c1csc(c1)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)Nc1cccnc1)[*:1])-c1cccnc1
CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccs2)n2nc(-c3cccnc3)nc2N1 O=C(Nc1cccnc1)[*:1] CC1Nc2nc(nn2[C@H](C=1[*:1])c1cccs1)-c1cccnc1
CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccs2)n2nc(-c3cccnc3)nc2N1 c1cncc(c1)[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccnc1)c1cccs1)[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccs2)n2nc(-c3cccnc3)nc2N1 c1cncc(c1)[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)N[*:1])c1cccs1)-c1cccnc1
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn2cccnc2n1 c1ccc(cc1)C[*:1] CCOC(=O)[C@H](NC(=O)c1cn2cccnc2n1)[*:1]
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn2cccnc2n1 CCOC(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1cn2cccnc2n1
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn2cccnc2n1 c1ccc(cc1)[*:1] CCOC(=O)[C@H](C[*:1])NC(=O)c1cn2cccnc2n1
CCCc1cc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1)[*:1]
CCCc1cc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)n(C)n1 c1ccc(cc1)[*:1] CCCc1cc(NC(=O)NC[C@@H]2CCO[C@@H]2[*:1])n(C)n1
NC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc23)CC1 c1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)c1nc2c(nnn2c2ccsc12)S(=O)(=O)[*:1]
NC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc23)CC1 NC(=O)[*:1] O=S(=O)(c1ccccc1)c1nnn2c1nc(c1sccc12)N1CCC(CC1)[*:1]
NC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc23)CC1 O=S(=O)(c1ccccc1)[*:1] NC(=O)C1CCN(CC1)c1nc2c(nnn2c2ccsc12)[*:1]
NC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc23)CC1 NC(=O)C1CCN(CC1)[*:1] O=S(=O)(c1ccccc1)c1nnn2c1nc(c1sccc12)[*:1]
COc1cccc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1 COc1cccc(c1)[*:1] O=C(N(C1CC1)[C@H]1CCCc2ccccc21)[*:1]
COc1cccc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1 C1CC1[*:1] COc1cccc(c1)C(=O)N([C@H]1CCCc2ccccc21)[*:1]
CN(Cc1ccccc1F)C(=O)c1ccsc1 c1cc(cs1)[*:1] CN(Cc1ccccc1F)C(=O)[*:1]
CCc1ccc(S(=O)(=O)NC[C@@H](OC)c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] CCc1ccc(s1)S(=O)(=O)NC[C@@H](OC)[*:1]
CCc1ccc(S(=O)(=O)NC[C@@H](OC)c2ccc(F)cc2)s1 CCc1ccc(s1)[*:1] CO[C@H](CNS(=O)(=O)[*:1])c1ccc(F)cc1
Cn1c(SCC(=O)NCC2(N3CCOCC3)CCCCC2)nnc1C(F)(F)F C1CN(CCO1)[*:1] Cn1c(nnc1C(F)(F)F)SCC(=O)NCC1(CCCCC1)[*:1]
Cn1c(SCC(=O)NCC2(N3CCOCC3)CCCCC2)nnc1C(F)(F)F FC(F)(F)[*:1] Cn1c(nnc1[*:1])SCC(=O)NCC1(CCCCC1)N1CCOCC1
C[C@H](NC(=O)C(=O)Nc1cccc2cnccc12)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(Nc1cccc2cnccc12)C(=O)N[*:1]
C[C@H](NC(=O)C(=O)Nc1cccc2cnccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1cccc2cnccc12)[*:1]
O=C(Cc1csc(-c2ccoc2)n1)NC[C@H]1CCCN(c2ncccn2)C1 c1cc(co1)[*:1] O=C(Cc1csc(n1)[*:1])NC[C@H]1CCCN(C1)c1ncccn1
O=C(Cc1csc(-c2ccoc2)n1)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(Cc1csc(n1)-c1ccoc1)NC[C@H]1CCCN(C1)[*:1]
O=C(COc1ccc(F)cc1)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 Fc1ccc(cc1)[*:1] O=C(CO[*:1])NCCn1nc(c2cccnc21)[C@H]1CC[NH2+]C1
O=C(COc1ccc(F)cc1)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 Fc1ccc(cc1)OC[*:1] O=C(NCCn1nc(c2cccnc21)[C@H]1CC[NH2+]C1)[*:1]
O=C(COc1ccc(F)cc1)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 Fc1ccc(cc1)O[*:1] O=C(C[*:1])NCCn1nc(c2cccnc21)[C@H]1CC[NH2+]C1
FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 FC(F)(F)[*:1] c1cc(ccc1C[NH2+]C[C@@H]1CCCO1)[*:1]
FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] FC(F)(F)c1ccc(cc1)C[NH2+]C[*:1]
CC[C@@H](C(=O)Nc1cc(C)on1)S(C)(=O)=O CS(=O)(=O)[*:1] CC[C@@H](C(=O)Nc1cc(C)on1)[*:1]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccsc2)C2=C([O-])CCCC2=N1 C1CO[C@@H](C1)C[*:1] CC1N=C2CCCC([O-])=C2[C@H](C=1C(=O)O[*:1])c1ccsc1
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccsc2)C2=C([O-])CCCC2=N1 c1cc(cs1)[*:1] CC1N=C2CCCC([O-])=C2[C@@H](C=1C(=O)OC[C@@H]1CCCO1)[*:1]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccsc2)C2=C([O-])CCCC2=N1 C1CO[C@@H](C1)[*:1] CC1N=C2CCCC([O-])=C2[C@H](C=1C(=O)OC[*:1])c1ccsc1
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCO[C@@H](C1)[*:1]
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCO[C@@H](c2ccccc2)C1 FC(F)(F)[*:1] O=C(N[C@H](C[*:1])c1ccc(F)cc1)N1CCO[C@H](C1)c1ccccc1
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCO[C@@H](c2ccccc2)C1 FC(F)(F)C[*:1] O=C(N[C@H](c1ccc(F)cc1)[*:1])N1CCO[C@H](C1)c1ccccc1
O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCO[C@@H](c2ccccc2)C1 Fc1ccc(cc1)[*:1] O=C(N[C@H](CC(F)(F)F)[*:1])N1CCO[C@H](C1)c1ccccc1
O=C(N/N=C/c1ccccc1Br)C(=O)N/N=C/c1ccccc1Br Brc1ccccc1[*:1] O=C(N/N=C/c1ccccc1Br)C(=O)NN=C[*:1]
CCC1(C[NH+](C)CCS(C)(=O)=O)CC[NH2+]CC1 CS(=O)(=O)[*:1] CCC1(CC[NH2+]CC1)C[NH+](C)CC[*:1]
CCC1(C[NH+](C)CCS(C)(=O)=O)CC[NH2+]CC1 CS(=O)(=O)C[*:1] CCC1(CC[NH2+]CC1)C[NH+](C)C[*:1]
CSc1nnc(CNc2ccc(C(=O)NC3CCOCC3)cc2)s1 C1CC(CCO1)[*:1] CSc1nnc(CNc2ccc(cc2)C(=O)N[*:1])s1
CSc1nnc(CNc2ccc(C(=O)NC3CCOCC3)cc2)s1 CSc1nnc(s1)[*:1] O=C(NC1CCOCC1)c1ccc(cc1)NC[*:1]
CSc1nnc(CNc2ccc(C(=O)NC3CCOCC3)cc2)s1 CSc1nnc(C[*:1])s1 O=C(NC1CCOCC1)c1ccc(cc1)N[*:1]
COC(=O)c1c(NC(=O)Cn2cnc3ccccc3c2=O)sc2c1CC[C@H](C)C2 COC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)Cn1cnc3ccccc3c1=O)c2[*:1]
CNC(=O)c1ccc(NC(=O)/C=C(\C)c2ccccc2)cc1 CNC(=O)[*:1] C/C(=C\C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CNC(=O)c1ccc(NC(=O)/C=C(\C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)C=C(C)[*:1]
CC[C@@H](NC(=O)c1ccc2c(c1)nnn2C)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)c1ccc2c(c1)nnn2C)[*:1]
CCC1(CC)[C@@H](OC)C[C@H]1[NH2+]C1CCN(Cc2cccnc2)CC1 c1cncc(c1)C[*:1] CCC1(CC)[C@H](C[C@H]1[NH2+]C1CCN(CC1)[*:1])OC
CCC1(CC)[C@@H](OC)C[C@H]1[NH2+]C1CCN(Cc2cccnc2)CC1 c1cncc(c1)[*:1] CCC1(CC)[C@H](C[C@H]1[NH2+]C1CCN(CC1)C[*:1])OC
Cc1ccccc1C[C@H](C)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O Cc1ccccc1C[*:1] C[C@H](NC(=O)CN1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-])[*:1]
Cc1ccccc1C[C@H](C)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O Cc1ccccc1[*:1] C[C@@H](C[*:1])NC(=O)CN1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-]
Cc1ccccc1C[C@H](C)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O O=[N+]([O-])[*:1] Cc1ccccc1C[C@H](C)NC(=O)CN1C(=O)c2ccc(cc2C1=O)[*:1]
CCc1onc(C)c1NC(=O)NC[C@@H](OC)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1onc(C)c1NC(=O)NC[C@@H](OC)[*:1]
Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCc3ccc(F)cc32)c1C Cc1cccc(c1C)[*:1] O=C(N[C@@H]1CCCc2ccc(F)cc21)C(=O)N[*:1]
Cc1nc(CC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cs1 Cc1nc(cs1)C[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)CNC(=O)[*:1]
Cc1nc(CC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cs1 Cc1nc(cs1)[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)CNC(=O)C[*:1]
CCNC(=O)CCCC(=O)Nc1cc(-c2ncco2)ccc1C CCNC(=O)[*:1] Cc1ccc(cc1NC(=O)CCC[*:1])-c1ncco1
CCNC(=O)CCCC(=O)Nc1cc(-c2ncco2)ccc1C CCNC(=O)CC[*:1] Cc1ccc(cc1NC(=O)C[*:1])-c1ncco1
CCNC(=O)CCCC(=O)Nc1cc(-c2ncco2)ccc1C CCNC(=O)C[*:1] Cc1ccc(cc1NC(=O)CC[*:1])-c1ncco1
CCNC(=O)CCCC(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] CCNC(=O)CCCC(=O)Nc1cc(ccc1C)[*:1]
[NH3+][C@@H]1CC[C@@H](Nc2cc(Cl)ccc2-n2cncn2)C1 c1ncn(n1)[*:1] [NH3+][C@@H]1CC[C@H](C1)Nc1cc(Cl)ccc1[*:1]
C=CCN1C(=O)[C@H](CC(=O)c2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] C=CCN1C(=O)[C@H](C[*:1])S/C1=N\c1ccc(F)cc1
C=CCN1C(=O)[C@H](CC(=O)c2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCN1C(=O)[C@H](CC(=O)c2ccc(F)cc2)SC1=N[*:1]
C=CCN1C(=O)[C@H](CC(=O)c2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCN1C(=O)[C@H](CC(=O)[*:1])S/C1=N\c1ccc(F)cc1
C=CCN1C(=O)[C@H](CC(=O)c2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 C=CC[*:1] O=C(C[C@@H]1S/C(=N\c2ccc(F)cc2)N(C1=O)[*:1])c1ccc(F)cc1
O=[N+]([O-])c1cccc(-c2noc(Cn3cc[nH+]c3)n2)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])-c1noc(Cn2cc[nH+]c2)n1
CCO[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl CCO[*:1] C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[*:1]
CCO[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl CCO[C@H](C)[*:1] O=C(Nc1cc(Cl)ccc1Cl)[*:1]
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 COc1ccccc1[*:1] C[C@H](NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1)[*:1]
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccccc1[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)[*:1]
CC(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(F)ccc1Cl CC(C)[*:1] O=C(NC[C@@H]1CCO[C@H]1[*:1])Nc1cc(F)ccc1Cl
CC(=O)N[C@H](CC(=O)Nc1ccccn1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Nc1ccccn1)[*:1]
CC(=O)N[C@H](CC(=O)Nc1ccccn1)c1ccc(Cl)cc1 CC(=O)N[*:1] O=C(C[C@H](c1ccc(Cl)cc1)[*:1])Nc1ccccn1
CC(=O)N[C@H](CC(=O)Nc1ccccn1)c1ccc(Cl)cc1 c1ccc(nc1)[*:1] CC(=O)N[C@H](CC(=O)N[*:1])c1ccc(Cl)cc1
CCN(Cc1ccccc1)C(=O)Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)Cn1cccc1-c1nc(no1)-c1ccc(Br)cc1
CCN(Cc1ccccc1)C(=O)Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1 Brc1ccc(cc1)[*:1] CCN(Cc1ccccc1)C(=O)Cn1cccc1-c1nc(no1)[*:1]
CCN(Cc1ccccc1)C(=O)Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1 c1ccc(cc1)C[*:1] CCN(C(=O)Cn1cccc1-c1nc(no1)-c1ccc(Br)cc1)[*:1]
CC(C)[C@@H](NC(=O)N(C)Cc1ccc(F)c(F)c1)c1ccccn1 Fc1ccc(cc1F)[*:1] CC(C)[C@@H](NC(=O)N(C)C[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)N(C)Cc1ccc(F)c(F)c1)c1ccccn1 CC(C)[*:1] CN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H](c1ccccn1)[*:1]
CC(C)[C@@H](NC(=O)N(C)Cc1ccc(F)c(F)c1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)N(C)Cc1ccc(F)c(F)c1)[*:1]
COCCNC(=O)Cc1c(OC)ccc2cc(Br)ccc12 COCC[*:1] COc1ccc2cc(Br)ccc2c1CC(=O)N[*:1]
COCCNC(=O)Cc1c(OC)ccc2cc(Br)ccc12 COC[*:1] COc1ccc2cc(Br)ccc2c1CC(=O)NC[*:1]
COCCNC(=O)Cc1c(OC)ccc2cc(Br)ccc12 COCCNC(=O)[*:1] COc1ccc2cc(Br)ccc2c1C[*:1]
COC(=O)C1CCN(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)CC1 COC(=O)[*:1] O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)N1CCC(CC1)[*:1]
Cc1ccc(NC(=O)C[NH+]2CCC(Cn3cc[nH+]c3-c3ccccc3)CC2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)C[NH+]1CCC(CC1)Cn1cc[nH+]c1[*:1]
Cc1ccc(NC(=O)C[NH+]2CCC(Cn3cc[nH+]c3-c3ccccc3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(C[NH+]1CCC(CC1)Cn1cc[nH+]c1-c1ccccc1)N[*:1]
Cc1ccc(C[NH2+]Cc2ccc(OCc3c(C)noc3C)cc2)s1 Cc1noc(C)c1C[*:1] Cc1ccc(C[NH2+]Cc2ccc(cc2)O[*:1])s1
Cc1ccc(C[NH2+]Cc2ccc(OCc3c(C)noc3C)cc2)s1 Cc1ccc(s1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C[NH2+]C[*:1]
Cc1ccc(C[NH2+]Cc2ccc(OCc3c(C)noc3C)cc2)s1 Cc1noc(C)c1[*:1] Cc1ccc(C[NH2+]Cc2ccc(cc2)OC[*:1])s1
CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)nc2)c1 Clc1ccc(cn1)[*:1] CNS(=O)(=O)c1ccc(C)c(c1)NC(=O)[*:1]
CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)nc2)c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)c1ccc(Cl)nc1)[*:1]
O=C(CCC(F)(F)F)NCCOc1ccc(F)c(F)c1 FC(F)(F)CC[*:1] O=C(NCCOc1ccc(F)c(F)c1)[*:1]
O=C(CCC(F)(F)F)NCCOc1ccc(F)c(F)c1 FC(F)(F)[*:1] O=C(CC[*:1])NCCOc1ccc(F)c(F)c1
O=C(CCC(F)(F)F)NCCOc1ccc(F)c(F)c1 FC(F)(F)C[*:1] O=C(C[*:1])NCCOc1ccc(F)c(F)c1
COc1ccccc1N(C)Cc1cccc(SC(=O)N(C)C)c1 CN(C)C(=O)S[*:1] COc1ccccc1N(C)Cc1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](Nc2nnc(C3CC3)s2)C1 C1CC1[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)Nc1nnc(s1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](Nc2nnc(C3CC3)s2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)Nc1nnc(s1)C1CC1
C[NH+](C)[C@@H](CNC(=O)c1ccc([S@](C)=O)cc1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(cc1)[S@](C)=O)C[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccc([S@](C)=O)cc1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(cc1)[S@](C)=O)[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccc([S@](C)=O)cc1)Cc1ccccc1 C[S@](=O)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(cc1)[*:1])Cc1ccccc1
C[C@@H](CCc1cccn1C)NC(=O)NCCc1cccs1 Cn1cccc1[*:1] C[C@@H](CC[*:1])NC(=O)NCCc1cccs1
C[C@@H](CCc1cccn1C)NC(=O)NCCc1cccs1 c1csc(c1)C[*:1] C[C@@H](CCc1cccn1C)NC(=O)NC[*:1]
C[C@@H](CCc1cccn1C)NC(=O)NCCc1cccs1 c1csc(c1)[*:1] C[C@@H](CCc1cccn1C)NC(=O)NCC[*:1]
C[C@@H](CCc1cccn1C)NC(=O)NCCc1cccs1 c1csc(c1)CC[*:1] C[C@@H](CCc1cccn1C)NC(=O)N[*:1]
C[C@@H](CCc1cccn1C)NC(=O)NCCc1cccs1 Cn1cccc1C[*:1] C[C@@H](C[*:1])NC(=O)NCCc1cccs1
O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCN(CC1)[*:1])c1ccccc1
O=C(Nc1cc2ccccc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Nc1cc2ccccc2cc1NC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1cc2ccccc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1cc2ccccc2cc1NC(=O)c1ccc(cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccc1Cl Clc1ccccc1[*:1] CN(C(=O)c1cc([nH]n1)-c1ccccc1Cl)[*:1]
CN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccc1Cl Clc1ccccc1[*:1] CN(C(=O)c1cc([nH]n1)[*:1])c1ccccc1Cl
O=C(Nc1ccc(Cl)cc1F)c1cc(-c2cccnc2)[nH]n1 c1cncc(c1)[*:1] O=C(Nc1ccc(Cl)cc1F)c1cc([nH]n1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCc2sc(C)nc2C)C1 CCNS(=O)(=O)[*:1] Cc1nc(C)c(CCNC(=O)N2CC[C@@H](C2)[*:1])s1
CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCc2sc(C)nc2C)C1 Cc1nc(C)c(s1)[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)NCC[*:1]
C[NH+](C)[C@H](CNC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1)c1cccc(F)c1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1cc2nccc(n2n1)[*:1])c1cccc(F)c1
C[NH+](C)[C@H](CNC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1)[*:1]
Cc1ccc(-c2csc3ncnc(N4CCC[C@@H]4C(N)=O)c23)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1csc2ncnc(c12)N1CCC[C@H]1[*:1]
Cc1ccc(-c2csc3ncnc(N4CCC[C@@H]4C(N)=O)c23)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@H]1CCCN1c1ncnc2scc(c12)[*:1]
Cc1cc(C(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3cc(C)sc32)c(C)s1 Clc1cccc(c1)[*:1] Cc1cc(C(=O)Cn2c(=O)n(c(=O)c3cc(C)sc32)[*:1])c(C)s1
Cc1cc(C(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3cc(C)sc32)c(C)s1 Cc1cc(C(=O)[*:1])c(C)s1 Cc1cc2c(=O)n(-c3cccc(Cl)c3)c(=O)n(C[*:1])c2s1
Cc1cc(C(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3cc(C)sc32)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1cc2c(=O)n(-c3cccc(Cl)c3)c(=O)n(CC(=O)[*:1])c2s1
COc1ccc(C(=O)/C=C2\Nc3ccc(C(=O)Nc4ccccc4)cc3NC2=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)/C=C1\Nc2ccc(cc2NC1=O)C(=O)N[*:1]
COc1ccc(C(=O)/C=C2\Nc3ccc(C(=O)Nc4ccccc4)cc3NC2=O)cc1OC O=C(Nc1ccccc1)[*:1] COc1ccc(cc1OC)C(=O)/C=C1\Nc2ccc(cc2NC1=O)[*:1]
COc1ccc(C(=O)/C=C2\Nc3ccc(C(=O)Nc4ccccc4)cc3NC2=O)cc1OC COc1ccc(cc1OC)[*:1] O=C1Nc2cc(ccc2N/C1=C\C(=O)[*:1])C(=O)Nc1ccccc1
CC(C)[C@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1nc(C2CC2)no1 O=C1CCC(=O)N1[*:1] CC(C)[C@H](NC(=O)c1cccc(c1)[*:1])c1nc(no1)C1CC1
CC(C)[C@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@H](NC(=O)c1cccc(c1)N1C(=O)CCC1=O)[*:1]
CC(C)[C@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@H](NC(=O)c1cccc(c1)N1C(=O)CCC1=O)c1nc(no1)[*:1]
CC(C)[C@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1nc(C2CC2)no1 CC(C)[*:1] O=C(N[C@H](c1nc(no1)C1CC1)[*:1])c1cccc(c1)N1C(=O)CCC1=O
C[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 FC(F)O[*:1] C[C@@H]1CCCN(C1)C(=O)Nc1cc(C#N)ccc1[*:1]
C[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 FC(F)[*:1] C[C@@H]1CCCN(C1)C(=O)Nc1cc(C#N)ccc1O[*:1]
COc1ccc([C@H](C)[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@H](C)[NH2+][C@H]1CN(C[C@@H]1OC)C(=O)O[*:1]
COc1ccc([C@H](C)[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)cc1 COc1ccc(cc1)[*:1] CO[C@H]1CN(C[C@@H]1[NH2+][C@@H](C)[*:1])C(=O)OC(C)(C)C
COc1ccc(-c2n[nH]cc2-c2ccncn2)cc1 c1cc(ncn1)[*:1] COc1ccc(cc1)-c1n[nH]cc1[*:1]
O=C(CCc1ccccc1)Nc1cccc(I)c1 c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1cccc(I)c1
CCOC[C@H](C)[NH2+]Cc1cccc(C2CC2)c1 CCOC[*:1] C[C@H]([NH2+]Cc1cccc(c1)C1CC1)[*:1]
CCOC[C@H](C)[NH2+]Cc1cccc(C2CC2)c1 CCO[*:1] C[C@@H](C[*:1])[NH2+]Cc1cccc(c1)C1CC1
CCOC[C@H](C)[NH2+]Cc1cccc(C2CC2)c1 C1CC1[*:1] CCOC[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(cc1)O[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(cc1)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(cc1)OC[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(OCc2ccccc2)cc1 Cc1cccc(C)c1[*:1] O=C(CNC(=O)c1ccc(cc1)OCc1ccccc1)N[*:1]
CC(=O)[C@@]1(O)CC[C@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@@H]3CC[C@]21C CC(=O)[*:1] C[C@]12C(=CC(=O)[C@@H]3C[C@@H]31)C(Cl)=C[C@@H]1[C@@H]3CC[C@](O)([C@]3(C)CC[C@H]12)[*:1]
CC(C)NC(=O)CC[NH2+]Cc1ccc(Br)s1 CC(C)[*:1] O=C(CC[NH2+]Cc1ccc(Br)s1)N[*:1]
O=C([C@@H]1C=C(c2ccncc2)N=N1)N1CCC(Cc2ccccc2)CC1 c1cc(ccn1)[*:1] O=C([C@@H]1C=C(N=N1)[*:1])N1CCC(CC1)Cc1ccccc1
O=C([C@@H]1C=C(c2ccncc2)N=N1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C([C@@H]1C=C(N=N1)c1ccncc1)N1CCC(CC1)[*:1]
O=C([C@@H]1C=C(c2ccncc2)N=N1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1C=C(N=N1)c1ccncc1)N1CCC(CC1)C[*:1]
COc1cc([C@H]2C3=C(CCCC3=O)NC3=NC(SC(C)C)=NC(=O)[C@@H]32)ccc1O COc1cc(ccc1O)[*:1] CC(C)SC1=NC(=O)[C@H]2C(=N1)NC1CCCC(=O)C=1[C@@H]2[*:1]
COc1cc([C@H]2C3=C(CCCC3=O)NC3=NC(SC(C)C)=NC(=O)[C@@H]32)ccc1O CC(C)[*:1] COc1cc(ccc1O)[C@H]1C2C(=O)CCCC=2NC2=NC(=NC(=O)[C@@H]21)S[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@@H]1CO O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CCCC[C@@H]1CO
CC(C)(C)NC(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)N[C@H](c1ccccn1)[*:1]
CC(C)(C)NC(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)(C)NC(=O)N[C@H](c1ccccc1)[*:1]
CC(C)(C)NC(=O)N[C@H](c1ccccc1)c1ccccn1 CC(C)(C)[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)N[*:1]
COC(=O)c1nc2c(C)nc(N(C)C)nc2n(C)c1=O COC(=O)[*:1] Cc1nc(nc2c1nc(c(=O)n2C)[*:1])N(C)C
COC(=O)c1nc2c(C)nc(N(C)C)nc2n(C)c1=O CN(C)[*:1] COC(=O)c1nc2c(C)nc(nc2n(C)c1=O)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 CSC[*:1] CC[C@@H](N(C)C(=O)N[C@@H](C)c1nc(no1)-c1cccc(F)c1)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] CC[C@@H](CSC)N(C)C(=O)N[C@@H](C)c1nc(no1)[*:1]
C[C@H](NC(=O)[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]12)C(=O)Nc1nccs1 c1csc(n1)[*:1] C[C@H](NC(=O)[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]12)C(=O)N[*:1]
C[C@H](NC(=O)[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]12)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] C[C@H](NC(=O)[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]12)[*:1]
CCN(CCNC(=O)Cc1noc2ccccc12)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(CCNC(=O)Cc1noc2ccccc12)[*:1]
Cc1cc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)ccn1 c1ccc(cc1)[*:1] Cc1cc(ccn1)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1cc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)ccn1 Cc1cc(ccn1)[*:1] O=C(Cc1ccccc1)N1CCC[C@@H](C1)[*:1]
Cc1cc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)ccn1 c1ccc(cc1)C[*:1] Cc1cc(ccn1)[C@H]1CCCN(C1)C(=O)[*:1]
CC[C@@H](Oc1ccccc1C)C(=O)Nc1cncc(C)c1 Cc1ccccc1[*:1] CC[C@@H](O[*:1])C(=O)Nc1cncc(C)c1
CC[C@@H](Oc1ccccc1C)C(=O)Nc1cncc(C)c1 Cc1cncc(c1)[*:1] CC[C@@H](Oc1ccccc1C)C(=O)N[*:1]
Cc1ccc(NC(=O)N(C)CCc2ccc(F)cc2)c(F)c1 Fc1ccc(cc1)[*:1] Cc1ccc(NC(=O)N(C)CC[*:1])c(F)c1
CN(C)/C=C1/C(=O)c2ccc(Cl)cc2N(Cc2c(F)cccc2Cl)S1(=O)=O CN(C)[*:1] O=C1C(=C[*:1])S(=O)(=O)N(Cc2c(F)cccc2Cl)c2cc(Cl)ccc21
CN(C)/C=C1/C(=O)c2ccc(Cl)cc2N(Cc2c(F)cccc2Cl)S1(=O)=O Fc1cccc(Cl)c1C[*:1] CN(C)/C=C1/C(=O)c2ccc(Cl)cc2N(S1(=O)=O)[*:1]
CN(C)/C=C1/C(=O)c2ccc(Cl)cc2N(Cc2c(F)cccc2Cl)S1(=O)=O Fc1cccc(Cl)c1[*:1] CN(C)/C=C1/C(=O)c2ccc(Cl)cc2N(C[*:1])S1(=O)=O
CCOc1cc(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc(I)c1OC CCO[*:1] COc1c(I)cc(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1[*:1]
CCOc1cc(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc(I)c1OC c1ccc(cc1)[*:1] CCOc1cc(/C=N\c2c(C)n(C)n(c2=O)[*:1])cc(I)c1OC
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)cc1F Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)Nc1ccc(Cl)cc1F)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] Cc1onc(c1C(=O)N[*:1])-c1c(F)cccc1Cl
C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(C(=O)Nc2nnc(C3CC3)s2)CC1 C1CC1c1nnc(s1)[*:1] C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(CC1)C(=O)N[*:1]
C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(C(=O)Nc2nnc(C3CC3)s2)CC1 C1CC1[*:1] C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(CC1)C(=O)Nc1nnc(s1)[*:1]
C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(C(=O)Nc2nnc(C3CC3)s2)CC1 Fc1cccc(c1)[*:1] C[C@@H](C(=O)N[*:1])[NH+]1CCN(CC1)C(=O)Nc1nnc(s1)C1CC1
O=C(Nc1ccc(-n2cccc(C(=O)NCc3ccc(F)cc3)c2=O)cc1)c1ccccc1F O=C(N[*:1])c1ccccc1F O=C(NCc1ccc(F)cc1)c1cccn(-c2ccc(cc2)[*:1])c1=O
O=C(Nc1ccc(-n2cccc(C(=O)NCc3ccc(F)cc3)c2=O)cc1)c1ccccc1F Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-n1cccc(C(=O)NC[*:1])c1=O)c1ccccc1F
O=C(Nc1ccc(-n2cccc(C(=O)NCc3ccc(F)cc3)c2=O)cc1)c1ccccc1F O=C(NCc1ccc(F)cc1)[*:1] O=C(Nc1ccc(cc1)-n1cccc(c1=O)[*:1])c1ccccc1F
O=C(Nc1ccc(-n2cccc(C(=O)NCc3ccc(F)cc3)c2=O)cc1)c1ccccc1F Fc1ccccc1[*:1] O=C(NCc1ccc(F)cc1)c1cccn(-c2ccc(cc2)NC(=O)[*:1])c1=O
O=C(Nc1ccc(-n2cccc(C(=O)NCc3ccc(F)cc3)c2=O)cc1)c1ccccc1F Fc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)-n1cccc(C(=O)N[*:1])c1=O)c1ccccc1F
CCOc1ccc(C2=CCN(C(=O)c3occc3C)CC2)cc1 Cc1ccoc1[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3occc3C)CC2)cc1 CCO[*:1] Cc1ccoc1C(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
C[C@H](O)CCC(=O)N(C)Cc1ccc(O)cc1 C[C@H](O)C[*:1] CN(Cc1ccc(O)cc1)C(=O)C[*:1]
C[C@H](O)CCC(=O)N(C)Cc1ccc(O)cc1 C[C@H](O)CC[*:1] CN(Cc1ccc(O)cc1)C(=O)[*:1]
C[C@H](O)CCC(=O)N(C)Cc1ccc(O)cc1 C[C@H](O)[*:1] CN(Cc1ccc(O)cc1)C(=O)CC[*:1]
Cc1ccc(CS(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1 Cc1ccc(cc1)[*:1] CC1CC[NH+](CCCNS(=O)(=O)C[*:1])CC1
O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1F)C1CCCC1 O=S1(=O)CC[C@@H](C1)C[*:1] O=C(N[C@@H](c1ccccc1F)C1CCCC1)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1F)C1CCCC1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(C[*:1])N[C@@H](c1ccccc1F)C1CCCC1
O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1F)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H](C1CCCC1)[*:1]
Cc1cc(CC(=O)NC(C)(C)c2ccc(Br)cc2)no1 Cc1cc(no1)[*:1] CC(C)(NC(=O)C[*:1])c1ccc(Br)cc1
COc1ccc(F)cc1NC(=O)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)Cc1coc(n1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)c1cnn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)c1cnn(n1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)c1cnn(-c2ccc(F)cc2)n1 C[C@@H](c1ccccn1)[*:1] CN(C(=O)c1cnn(n1)-c1ccc(F)cc1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)c1cnn(-c2ccc(F)cc2)n1 c1ccc(nc1)[*:1] C[C@@H](N(C)C(=O)c1cnn(n1)-c1ccc(F)cc1)[*:1]
Cc1cncc(NC(=O)C(=O)NCCCn2c(C)nc3ccccc32)c1 Cc1cncc(c1)[*:1] Cc1nc2ccccc2n1CCCNC(=O)C(=O)N[*:1]
CC(=O)N1CC[C@H](NC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 CC(=O)N1CC[C@H](C1)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)N[*:1]
NC(=O)Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21 NC(=O)[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])c1ccccc1Cl
NC(=O)Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21 NC(=O)C[*:1] O=C(NCCc1nc2ccccc2n1[*:1])c1ccccc1Cl
NC(=O)Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21 Clc1ccccc1[*:1] NC(=O)Cn1c(CCNC(=O)[*:1])nc2ccccc21
CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)[C@H](O)C2)cc1 CC(C)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)Nc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)[C@H](O)C2)cc1 CC(C)O[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](C1=NC(=O)C2=C(c3cccs3)CSC2=N1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1csc(c1)[*:1] C[C@H](C1N=C2SCC(=C2C(=O)N=1)[*:1])N1CCN(CC1)Cc1ccc2OCCc2c1
C[C@H](C1=NC(=O)C2=C(c3cccs3)CSC2=N1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1cc2OCCc2cc1C[*:1] C[C@H](C1N=C2SCC(=C2C(=O)N=1)c1cccs1)N1CCN(CC1)[*:1]
C[C@H](C1=NC(=O)C2=C(c3cccs3)CSC2=N1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1cc2OCCc2cc1[*:1] C[C@H](C1N=C2SCC(=C2C(=O)N=1)c1cccs1)N1CCN(CC1)C[*:1]
CCOC(=O)c1c(NC(=O)[C@@]2(C)Oc3ccc(C)cc3N(C)C2=O)sc2c1CCCC2 CCOC(=O)[*:1] Cc1ccc2O[C@](C)(C(=O)Nc3sc4CCCCc4c3[*:1])C(=O)N(C)c2c1
CCOC(=O)C1=C(C)N=C(SC)[N-][C@@H]1c1ccc(OC)cc1 CCOC(=O)[*:1] COc1ccc(cc1)[C@H]1[N-]C(=NC(C)=C1[*:1])SC
CCOC(=O)[C@@H]1CC(=O)N(C2=NCCS2)C1 CCOC(=O)[*:1] O=C1C[C@H](CN1C1=NCCS1)[*:1]
Cc1ccc(C(=O)CCC(=O)N[C@@H](C#N)C(C)(C)C)s1 Cc1ccc(s1)[*:1] CC(C)(C)[C@H](C#N)NC(=O)CCC(=O)[*:1]
Cc1ccc(C(=O)CCC(=O)N[C@@H](C#N)C(C)(C)C)s1 CC(C)(C)[*:1] Cc1ccc(s1)C(=O)CCC(=O)N[C@@H](C#N)[*:1]
S=c1[nH]nc(C2CC2)n1CCNc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 c1cncc(c1)[*:1] S=c1[nH]nc(C2CC2)n1CCNc1nc(nc2sc3CCCCc3c12)[*:1]
S=c1[nH]nc(C2CC2)n1CCNc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 S=c1[nH]nc(C2CC2)n1C[*:1] c1cncc(c1)-c1nc(NC[*:1])c2c3CCCCc3sc2n1
S=c1[nH]nc(C2CC2)n1CCNc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 C1CC1[*:1] S=c1[nH]nc(n1CCNc1nc(nc2sc3CCCCc3c12)-c1cccnc1)[*:1]
S=c1[nH]nc(C2CC2)n1CCNc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 S=c1[nH]nc(C2CC2)n1[*:1] c1cncc(c1)-c1nc(NCC[*:1])c2c3CCCCc3sc2n1
C[C@H](CO)NC(=O)N[C@H](Cc1ccccc1)C1CC1 C1CC1[*:1] C[C@H](CO)NC(=O)N[C@H](Cc1ccccc1)[*:1]
C[C@H](CO)NC(=O)N[C@H](Cc1ccccc1)C1CC1 C[C@H](CO)[*:1] O=C(N[C@H](Cc1ccccc1)C1CC1)N[*:1]
C[C@H](CO)NC(=O)N[C@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] C[C@H](CO)NC(=O)N[C@H](C[*:1])C1CC1
Cc1ccccc1[C@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 Cc1ccccc1[C@H](C)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccncc1
Cc1ccccc1[C@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 c1cc(ccn1)[*:1] Cc1ccccc1[C@H](C)NC(=O)c1cc(nc2ccccc12)[*:1]
Cc1ccccc1[C@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 Cc1ccccc1[*:1] C[C@H](NC(=O)c1cc(nc2ccccc12)-c1ccncc1)[*:1]
NC(=O)C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 O=[N+]([O-])[*:1] NC(=O)C(=O)N/N=C/c1cc2OCOc2cc1[*:1]
O=C(Nc1cccc(-c2ncon2)c1)c1[nH]nc(C2CC2)c1Cl c1nc(no1)[*:1] O=C(Nc1cccc(c1)[*:1])c1[nH]nc(c1Cl)C1CC1
O=C(Nc1cccc(-c2ncon2)c1)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] O=C(Nc1cccc(c1)-c1ncon1)c1[nH]nc(c1Cl)[*:1]
Cc1ccccc1OCc1nn2c(-c3ccccc3)nnc2s1 c1ccc(cc1)[*:1] Cc1ccccc1OCc1nn2c(nnc2s1)[*:1]
Cc1ccccc1OCc1nn2c(-c3ccccc3)nnc2s1 Cc1ccccc1[*:1] c1ccc(cc1)-c1nnc2sc(CO[*:1])nn12
COCCOC(=O)c1cn(C)nc1-c1ccccc1OC COCC[*:1] COc1ccccc1-c1nn(C)cc1C(=O)O[*:1]
COCCOC(=O)c1cn(C)nc1-c1ccccc1OC COC[*:1] COc1ccccc1-c1nn(C)cc1C(=O)OC[*:1]
COCCOC(=O)c1cn(C)nc1-c1ccccc1OC COCCOC(=O)[*:1] COc1ccccc1-c1nn(C)cc1[*:1]
CO[C@H]1CCCC[C@@H]1NC(=O)NC1(c2noc(C)n2)CCCC1 Cc1nc(no1)[*:1] CO[C@H]1CCCC[C@@H]1NC(=O)NC1(CCCC1)[*:1]
C[C@@H](CNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)Oc1ccccc1 C1CC1[*:1] C[C@@H](CNC(=O)c1nc(n(n1)-c1ccccc1)[*:1])Oc1ccccc1
C[C@@H](CNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1nc(C2CC2)n(n1)[*:1])Oc1ccccc1
C[C@@H](CNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)Oc1ccccc1 C[C@@H](Oc1ccccc1)[*:1] O=C(NC[*:1])c1nc(C2CC2)n(n1)-c1ccccc1
C[C@@H](CNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)c1nc(C2CC2)n(n1)-c1ccccc1)[*:1]
C[C@@H](CNC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1nc(C2CC2)n(n1)-c1ccccc1)O[*:1]
C=CCNc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C#N C=CC[*:1] N#Cc1c(N[*:1])sc(C(=O)c2ccc(Cl)cc2)c1N
C=CCNc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C#N C=CCN[*:1] N#Cc1c(sc(C(=O)c2ccc(Cl)cc2)c1N)[*:1]
C=CCNc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C#N Clc1ccc(cc1)[*:1] C=CCNc1sc(C(=O)[*:1])c(N)c1C#N
O=C(NCC(C1CC1)C1CC1)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(NCC(C1CC1)[*:1])c1cc([nH]n1)C1CC1
O=C(NCC(C1CC1)C1CC1)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(NCC(C1CC1)C1CC1)c1cc([nH]n1)[*:1]
O=C(CNC(=O)c1ccco1)Nc1cccc(-c2cn3cccnc3n2)c1 c1coc(c1)[*:1] O=C(CNC(=O)[*:1])Nc1cccc(c1)-c1cn2cccnc2n1
O=C(CNC(=O)c1ccco1)Nc1cccc(-c2cn3cccnc3n2)c1 O=C(N[*:1])c1ccco1 O=C(C[*:1])Nc1cccc(c1)-c1cn2cccnc2n1
O=C(CNC(=O)c1ccco1)Nc1cccc(-c2cn3cccnc3n2)c1 c1cnc2nc(cn2c1)[*:1] O=C(CNC(=O)c1ccco1)Nc1cccc(c1)[*:1]
O=C(CNC(=O)c1ccco1)Nc1cccc(-c2cn3cccnc3n2)c1 O=C(NC[*:1])c1ccco1 O=C(Nc1cccc(c1)-c1cn2cccnc2n1)[*:1]
O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)[C@@H]1CCOc2ccccc21 O=C1CCCC(=O)N1[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCOc2ccccc21
C[C@@H](NC(=O)/C=C/SCc1ccco1)c1cnn(C)c1 c1coc(c1)C[*:1] C[C@@H](NC(=O)/C=C/S[*:1])c1cnn(C)c1
C[C@@H](NC(=O)/C=C/SCc1ccco1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](NC(=O)/C=C/SCc1ccco1)[*:1]
C[C@@H](NC(=O)/C=C/SCc1ccco1)c1cnn(C)c1 c1coc(c1)[*:1] C[C@@H](NC(=O)/C=C/SC[*:1])c1cnn(C)c1
Cc1oc2nc(-c3ccccc3)nc(Cl)c2c1C c1ccc(cc1)[*:1] Cc1oc2nc(nc(Cl)c2c1C)[*:1]
CSCC(=O)NNC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 CN(C1CCCCC1)[*:1] CSCC(=O)NNC(=O)Nc1ccc(c(F)c1)[*:1]
CSCC(=O)NNC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 CSC[*:1] CN(c1ccc(cc1F)NC(=O)NNC(=O)[*:1])C1CCCCC1
CSCC(=O)NNC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 C1CCC(CC1)[*:1] CSCC(=O)NNC(=O)Nc1ccc(c(F)c1)N(C)[*:1]
CCC[NH2+][C@H](Cc1nc(C)c(C)s1)CC(F)(F)F CCC[*:1] Cc1nc(C[C@H](CC(F)(F)F)[NH2+][*:1])sc1C
CCC[NH2+][C@H](Cc1nc(C)c(C)s1)CC(F)(F)F FC(F)(F)C[*:1] CCC[NH2+][C@H](Cc1nc(C)c(C)s1)[*:1]
CCC[NH2+][C@H](Cc1nc(C)c(C)s1)CC(F)(F)F FC(F)(F)[*:1] CCC[NH2+][C@H](Cc1nc(C)c(C)s1)C[*:1]
CCCOc1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1 CCCO[*:1] N#Cc1cnc(nc1N)SCC(=O)Nc1ccc(cc1)[*:1]
CCCOc1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1 CCC[*:1] N#Cc1cnc(nc1N)SCC(=O)Nc1ccc(cc1)O[*:1]
Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCC(C)C CC(C)C[*:1] Cc1c(Cl)cccc1NC(=O)CCNC(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)CCNC(=O)NCC(C)C CC(C)[*:1] Cc1c(Cl)cccc1NC(=O)CCNC(=O)NC[*:1]
Cc1ccc(CCC2CCN(C(=O)Nc3ccn(C)n3)CC2)cc1 Cn1ccc(n1)[*:1] Cc1ccc(cc1)CCC1CCN(CC1)C(=O)N[*:1]
Cc1ccc(CCC2CCN(C(=O)Nc3ccn(C)n3)CC2)cc1 Cc1ccc(cc1)C[*:1] Cn1ccc(n1)NC(=O)N1CCC(CC1)C[*:1]
Cc1ccc(CCC2CCN(C(=O)Nc3ccn(C)n3)CC2)cc1 Cc1ccc(cc1)[*:1] Cn1ccc(n1)NC(=O)N1CCC(CC1)CC[*:1]
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1 CC(=O)N[*:1] O=C(NCc1ccc(F)cc1)c1cc(nc2ccccc12)-c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)-c1cc(C(=O)NC[*:1])c2ccccc2n1
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1 Fc1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)-c1cc(C(=O)N[*:1])c2ccccc2n1
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)c1cc(nc2ccccc12)[*:1]
O=C(OCc1ccccc1C(F)(F)F)c1ccc(NC2CC2)nc1 C1CC1[*:1] O=C(OCc1ccccc1C(F)(F)F)c1ccc(nc1)N[*:1]
O=C(OCc1ccccc1C(F)(F)F)c1ccc(NC2CC2)nc1 C1CC1N[*:1] O=C(OCc1ccccc1C(F)(F)F)c1ccc(nc1)[*:1]
O=C(OCc1ccccc1C(F)(F)F)c1ccc(NC2CC2)nc1 FC(F)(F)[*:1] O=C(OCc1ccccc1[*:1])c1ccc(nc1)NC1CC1
NC(=S)c1c(F)cccc1Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] NC(=S)c1c(F)cccc1Nc1ccc(cc1)[*:1]
NC(=S)c1c(F)cccc1Nc1ccc(S(N)(=O)=O)cc1 NC(=S)[*:1] NS(=O)(=O)c1ccc(cc1)Nc1cccc(F)c1[*:1]
CN(Cc1cnn(C)c1)C(=O)CNc1cc2c(cc1Cl)NC(=O)CO2 Cn1cc(cn1)C[*:1] CN(C(=O)CNc1cc2OCC(=O)Nc2cc1Cl)[*:1]
CN(Cc1cnn(C)c1)C(=O)CNc1cc2c(cc1Cl)NC(=O)CO2 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)CNc1cc2OCC(=O)Nc2cc1Cl
O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)c1cccc(c1)[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)c1cccc(c1)C[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(CN2CCCC2=O)c1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)CN1CCCC1=O
O=C(CC[NH+]1CCOCC1)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 c1ccc(cc1)[*:1] O=C(CC[NH+]1CCOCC1)N1N=C(C[C@@H]1c1ccco1)[*:1]
O=C(CC[NH+]1CCOCC1)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(CC[NH+]1CCOCC1)N1N=C(C[C@H]1[*:1])c1ccccc1
COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2[NH3+] c1ccc(cc1)[*:1] COc1ccc2c(c1)OC(C)(C)[C@H]([C@@H]2[NH3+])[*:1]
C#CCOc1ccccc1C[NH+]1CCN([C@H](C)COC)CC1 C#CC[*:1] COC[C@@H](C)N1CC[NH+](CC1)Cc1ccccc1O[*:1]
C#CCOc1ccccc1C[NH+]1CCN([C@H](C)COC)CC1 C#CCO[*:1] COC[C@@H](C)N1CC[NH+](CC1)Cc1ccccc1[*:1]
C#CCOc1ccccc1C[NH+]1CCN([C@H](C)COC)CC1 COC[*:1] C#CCOc1ccccc1C[NH+]1CCN(CC1)[C@H](C)[*:1]
C#CCOc1ccccc1C[NH+]1CCN([C@H](C)COC)CC1 COC[C@@H](C)[*:1] C#CCOc1ccccc1C[NH+]1CCN(CC1)[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(C)CC1CCCC1 C1CCC(C1)[*:1] Cc1cc(ccc1NC(=O)N(C)C[*:1])C(=O)NCC(C)C
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(C)CC1CCCC1 CC(C)C[*:1] Cc1cc(ccc1NC(=O)N(C)CC1CCCC1)C(=O)N[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(C)CC1CCCC1 CC(C)CNC(=O)[*:1] Cc1cc(ccc1NC(=O)N(C)CC1CCCC1)[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(C)CC1CCCC1 CC(C)[*:1] Cc1cc(ccc1NC(=O)N(C)CC1CCCC1)C(=O)NC[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(C)CC1CCCC1 C1CCC(C1)C[*:1] Cc1cc(ccc1NC(=O)N(C)[*:1])C(=O)NCC(C)C
CCN(C(=O)[C@H]1CSC(=O)N1)[C@H](C)c1cccnc1 c1cncc(c1)[*:1] CCN(C(=O)[C@H]1CSC(=O)N1)[C@H](C)[*:1]
COc1ccc([C@H]2NC(=O)NC(C)=C2C(C)=O)c(OC)c1 CC(=O)[*:1] COc1ccc(c(c1)OC)[C@H]1NC(=O)NC(C)=C1[*:1]
COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cc2)ccc1O Cc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cc2)ccc1O COc1cc(ccc1O)[*:1] Cc1ccc(cc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
Cc1ccc(S(=O)(=O)CCCN2CCO[C@H](C)[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1[C@@H](C)OCCN1CCCS(=O)(=O)[*:1]
O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 Clc1ccccc1[*:1] O=C1c2ccccc2C(=O)N1Cc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc(NC(=O)[C@H](C)O/N=C/c2cccc([N+](=O)[O-])c2)cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1F)NC(=O)[C@H](C)O/N=C/c1cccc(c1)[*:1]
Cc1ccc(NC(=O)[C@H](C)O/N=C/c2cccc([N+](=O)[O-])c2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](O/N=C/c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
CC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1 Cc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1cccc(c1)NC(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1 CC(=O)N[*:1] Cc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(OC)c(Nc2c(-c3cccc(O)c3)[nH+]c3cccc(C)n23)c1 Oc1cccc(c1)[*:1] COc1ccc(OC)c(c1)Nc1c([nH+]c2cccc(C)n12)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccoc1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccoc1)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccoc1)C1CCCCC1 c1cc(co1)[*:1] C[C@@H]1OCC[C@H]1C(=O)N(C[*:1])C1CCCCC1
C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccoc1)C1CCCCC1 c1cc(co1)C[*:1] C[C@@H]1OCC[C@H]1C(=O)N(C1CCCCC1)[*:1]
CCC(=O)Nc1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1 CS(=O)(=O)[*:1] CCC(=O)Nc1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CCC(=O)Nc1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1 CCC(=O)N[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
CCc1ccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1 Clc1ccccc1[*:1] CCc1ccc(cc1)[C@H]1C[C@@H](Nc2nc(N)nn21)[*:1]
CCc1ccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1 CCc1ccc(cc1)[*:1] Nc1nc2N[C@@H](C[C@@H](n2n1)[*:1])c1ccccc1Cl
COc1cccc(-c2nc(SCC(=O)Nc3ccccc3C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 Cc1ccccc1[*:1] COc1cccc(c1)-c1nc(SCC(=O)N[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
COc1cccc(-c2nc(SCC(=O)Nc3ccccc3C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 Cc1ccccc1NC(=O)C[*:1] COc1cccc(c1)-c1nc(S[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
COc1cccc(-c2nc(SCC(=O)Nc3ccccc3C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 Cc1ccccc1NC(=O)[*:1] COc1cccc(c1)-c1nc(SC[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
COc1cccc(-c2nc(SCC(=O)Nc3ccccc3C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 COc1cccc(c1)[*:1] Cc1ccccc1NC(=O)CSc1nc(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 O=C1CNC(=O)N1[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(cc1)C[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 C[C@@H](c1ccc(F)cc1)[*:1] CN(C(=O)c1ccc(cc1)CN1C(=O)CNC1=O)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)CN1C(=O)CNC1=O)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 O=C1CNC(=O)N1C[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(cc1)[*:1]
N#CCN(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 c1ccc(cc1)O[*:1] N#CCN(CC(=O)Nc1ccccc1[*:1])c1ccccc1
N#CCN(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] N#CCN(CC(=O)Nc1ccccc1O[*:1])c1ccccc1
N#CCN(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] N#CCN(CC(=O)Nc1ccccc1Oc1ccccc1)[*:1]
N#CCN(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 N#CC[*:1] O=C(CN(c1ccccc1)[*:1])Nc1ccccc1Oc1ccccc1
Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N(C)C)cc1 Cc1ccccc1[*:1] C[C@@H](Oc1ccc(cc1)S(=O)(=O)N(C)C)C(=O)N[*:1]
CC1=C(C(=O)[O-])C(C)(C)CCC1 O=C([O-])[*:1] CC1CCCC(C)(C)C=1[*:1]
COc1ccc2nc(C(=O)N(C)CC(=O)NC(C)C)ccc2c1 CC(C)[*:1] COc1ccc2nc(ccc2c1)C(=O)N(C)CC(=O)N[*:1]
COc1ccc2nc(C(=O)N(C)CC(=O)NC(C)C)ccc2c1 CC(C)NC(=O)C[*:1] COc1ccc2nc(ccc2c1)C(=O)N(C)[*:1]
COc1ccc2nc(C(=O)N(C)CC(=O)NC(C)C)ccc2c1 CC(C)NC(=O)[*:1] COc1ccc2nc(ccc2c1)C(=O)N(C)C[*:1]
CCc1ccsc1C(=O)NC1(C(N)=S)CCCCCCC1 CCc1ccsc1[*:1] NC(=S)C1(CCCCCCC1)NC(=O)[*:1]
CCc1ccsc1C(=O)NC1(C(N)=S)CCCCCCC1 NC(=S)[*:1] CCc1ccsc1C(=O)NC1(CCCCCCC1)[*:1]
CC(=O)Oc1ccc2c(C)c(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(=O)oc2c1C Clc1ccc2[nH]cc(C[*:1])c2c1 CC(=O)Oc1ccc2c(C)c(CC(=O)NC[*:1])c(=O)oc2c1C
CC(=O)Oc1ccc2c(C)c(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(=O)oc2c1C Clc1ccc2[nH]cc(c2c1)[*:1] CC(=O)Oc1ccc2c(C)c(CC(=O)NCC[*:1])c(=O)oc2c1C
CC(=O)Oc1ccc2c(C)c(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(=O)oc2c1C CC(=O)O[*:1] Cc1c(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)oc2c(C)c(ccc12)[*:1]
CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC(Cl)(Cl)Cl CCO[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OCC(Cl)(Cl)Cl)c1ccccc1[*:1]
CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC[*:1]
CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC(Cl)(Cl)Cl O=C(OCC(Cl)(Cl)Cl)[*:1] CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1[*:1]
CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC(Cl)(Cl)Cl ClC(Cl)(Cl)C[*:1] CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[*:1]
O=S(=O)(c1cc(F)ccc1NCC1([O-])CCC1)C(F)(F)F O=S(=O)(C(F)(F)F)[*:1] [O-]C1(CCC1)CNc1ccc(F)cc1[*:1]
O=S(=O)(c1cc(F)ccc1NCC1([O-])CCC1)C(F)(F)F FC(F)(F)[*:1] O=S(=O)(c1cc(F)ccc1NCC1([O-])CCC1)[*:1]
O=S(=O)(c1cc(F)ccc1NCC1([O-])CCC1)C(F)(F)F [O-]C1(CCC1)[*:1] O=S(=O)(c1cc(F)ccc1NC[*:1])C(F)(F)F
O=S(=O)(c1cc(F)ccc1NCC1([O-])CCC1)C(F)(F)F [O-]C1(CCC1)CN[*:1] O=S(=O)(c1cc(F)ccc1[*:1])C(F)(F)F
C/C([O-])=C(\C(=O)c1ccccc1)C(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C/C([O-])=C(\C(=O)c1ccccc1)C(=O)[*:1]
C/C([O-])=C(\C(=O)c1ccccc1)C(=O)c1ccc(Br)cc1 c1ccc(cc1)[*:1] C/C([O-])=C(/C(=O)c1ccc(Br)cc1)C(=O)[*:1]
CC(C)CN1C(=O)NC(=N)[C@@]12CSCC(C)(C)C2 CC(C)[*:1] CC1(C)CSC[C@]2(C1)C(=N)NC(=O)N2C[*:1]
CC(C)CN1C(=O)NC(=N)[C@@]12CSCC(C)(C)C2 CC(C)C[*:1] CC1(C)CSC[C@]2(C1)C(=N)NC(=O)N2[*:1]
O=S(=O)(CCCc1ccccc1)c1ccc(Br)cc1 c1ccc(cc1)[*:1] O=S(=O)(CCC[*:1])c1ccc(Br)cc1
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@H](C)n1cncn1 c1ncn(n1)[*:1] Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@H](C)[*:1]
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@H](C)n1cncn1 C[C@H](n1cncn1)[*:1] Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)[*:1]
Cc1cc(C)c2oc(-c3ccc(Br)o3)c(O)c(=O)c2c1 Brc1ccc(o1)[*:1] Cc1cc(C)c2oc(c(O)c(=O)c2c1)[*:1]
CCOC(=O)C1CCC([NH+](C)Cc2ccc(C)o2)CC1 CCOC(=O)[*:1] Cc1ccc(C[NH+](C)C2CCC(CC2)[*:1])o1
CCOC(=O)C1CCC([NH+](C)Cc2ccc(C)o2)CC1 Cc1ccc(o1)[*:1] CCOC(=O)C1CCC(CC1)[NH+](C)C[*:1]
COc1ccc(C[C@@H](C)C(=O)Nc2c(OC)ncnc2N(C)C)cc1 COc1ccc(cc1)[*:1] COc1ncnc(c1NC(=O)[C@H](C)C[*:1])N(C)C
COc1ccc(C[C@@H](C)C(=O)Nc2c(OC)ncnc2N(C)C)cc1 CN(C)[*:1] COc1ccc(cc1)C[C@@H](C)C(=O)Nc1c(ncnc1[*:1])OC
CNC(=O)c1ccc(NC2CCN(c3ccc(C#N)cn3)CC2)[nH+]n1 CNC(=O)[*:1] N#Cc1ccc(nc1)N1CCC(CC1)Nc1ccc(n[nH+]1)[*:1]
CNC(=O)c1ccc(NC2CCN(c3ccc(C#N)cn3)CC2)[nH+]n1 N#Cc1ccc(nc1)[*:1] CNC(=O)c1ccc(NC2CCN(CC2)[*:1])[nH+]n1
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1O[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccccc1)c1ccccc1[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 O=[N+]([O-])c1ccccc1[*:1] O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccccc1)[*:1]
O=C(NC[C@@H]1Cc2ccccc2O1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)N[*:1]
O=C(NC[C@@H]1Cc2ccccc2O1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)NC[*:1]
CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(Cl)ccc3C)[nH]c2=O)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)CSc1ncc(c(=O)[nH]1)S(=O)(=O)[*:1]
CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(Cl)ccc3C)[nH]c2=O)cc1 Cc1ccc(Cl)cc1[*:1] CCc1ccc(cc1)S(=O)(=O)c1cnc([nH]c1=O)SCC(=O)N[*:1]
N#Cc1nc(/C=N/NC(N)=S)oc1N1CCOCC1 C1CN(CCO1)[*:1] N#Cc1nc(/C=N/NC(N)=S)oc1[*:1]
N#Cc1nc(/C=N/NC(N)=S)oc1N1CCOCC1 NC(=S)NN=C[*:1] N#Cc1nc(oc1N1CCOCC1)[*:1]
CN(C)S(=O)(=O)N1CCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(cc1[*:1])C(=O)NC1C2CC3CC(C2)CC1C3
O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N(Cc1ccccn1)C1CC1 c1ccc(C[*:1])nc1 O=C(NCc1cc(Cl)c2OCCCOc2c1)N(C1CC1)[*:1]
O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N(Cc1ccccn1)C1CC1 c1ccc(nc1)[*:1] O=C(NCc1cc(Cl)c2OCCCOc2c1)N(C[*:1])C1CC1
O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N(Cc1ccccn1)C1CC1 C1CC1[*:1] O=C(NCc1cc(Cl)c2OCCCOc2c1)N(Cc1ccccn1)[*:1]
Cc1c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)c1cccc(c1)-c1cc2ccccc2oc1=O
Cc1c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cccc1C(=O)[O-] Cc1c(cccc1[*:1])C(=O)[O-] O=C(N[*:1])c1cccc(c1)-c1cc2ccccc2oc1=O
O=S(=O)(NCCCc1ccccc1)c1cccc(Br)c1 c1ccc(cc1)[*:1] O=S(=O)(NCCC[*:1])c1cccc(Br)c1
C[C@H](c1ccc(NCc2cn(C)nc2C(C)(C)C)cc1)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] Cn1cc(CNc2ccc(cc2)[*:1])c(n1)C(C)(C)C
C[C@H](c1ccc(NCc2cn(C)nc2C(C)(C)C)cc1)N1CCOCC1 CC(C)(C)[*:1] C[C@H](c1ccc(cc1)NCc1cn(C)nc1[*:1])N1CCOCC1
C[C@H](c1ccc(NCc2cn(C)nc2C(C)(C)C)cc1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](c1ccc(cc1)NCc1cn(C)nc1C(C)(C)C)[*:1]
NC(=O)[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(F)cc1 O=C(N[*:1])c1ccncc1 NC(=O)[C@H](NCc1cccc(c1)[*:1])c1ccc(F)cc1
NC(=O)[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@H](NCc1cccc(c1)NC(=O)c1ccncc1)[*:1]
NC(=O)[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(F)cc1 NC(=O)[*:1] O=C(Nc1cccc(c1)CN[C@H](c1ccc(F)cc1)[*:1])c1ccncc1
NC(=O)[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(F)cc1 c1cc(ccn1)[*:1] NC(=O)[C@H](NCc1cccc(c1)NC(=O)[*:1])c1ccc(F)cc1
O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)c1cccc([N+](=O)[O-])c1 C1CCC(C1)[*:1] O=C(N[C@H]1CCCC[C@H]1O[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)c1cccc(c1)[*:1]
O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)c1cccc([N+](=O)[O-])c1 C1CCC(C1)O[*:1] O=C(N[C@H]1CCCC[C@@H]1[*:1])c1cccc(c1)[N+](=O)[O-]
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 CC(C)Oc1ccc(cc1)[*:1] O=C(NC(=S)Nc1ccc(cc1)-c1nc2ccccc2[nH]1)[*:1]
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 CC(C)O[*:1] O=C(NC(=S)Nc1ccc(cc1)-c1nc2ccccc2[nH]1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 CC(C)[*:1] O=C(NC(=S)Nc1ccc(cc1)-c1nc2ccccc2[nH]1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)Oc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)[*:1]
C=C(C)[C@H]1CC=C(C)/C(=N/Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 C=C(C)[*:1] CC1=CC[C@@H](C/C1=N\Nc1ccc(cn1)S(=O)(=O)N1CC[NH+](C)CC1)[*:1]
CCc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@]23C(=O)N(C)c2ccccc23)s1 CCc1nnc(s1)[*:1] CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2[*:1]
C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1C[C@@H](C)O C[C@@H](O)[*:1] C[C@H]1CN(CCN1C[*:1])CC(=O)N[C@@](C)(C#N)C1CC1
C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H]1CN(CCN1[*:1])CC(=O)N[C@@](C)(C#N)C1CC1
C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1C[C@@H](C)O C1CC1[*:1] C[C@H]1CN(CCN1C[C@@H](C)O)CC(=O)N[C@@](C)(C#N)[*:1]
C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1C[C@@H](C)O C[C@@](C#N)(C1CC1)[*:1] C[C@H]1CN(CCN1C[C@@H](C)O)CC(=O)N[*:1]
Cc1c(C(=O)NCc2ccccc2)sc2nc(-c3ccccc3)cn12 c1ccc(cc1)[*:1] Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)NC[*:1]
Cc1c(C(=O)NCc2ccccc2)sc2nc(-c3ccccc3)cn12 c1ccc(cc1)[*:1] Cc1c(sc2nc(cn12)[*:1])C(=O)NCc1ccccc1
Cc1c(C(=O)NCc2ccccc2)sc2nc(-c3ccccc3)cn12 c1ccc(cc1)C[*:1] Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)N[*:1]
CC[C@@H](NC(=O)[C@H](C)Oc1cccc(F)c1)c1nc(C)n[nH]1 Fc1cccc(c1)[*:1] CC[C@@H](NC(=O)[C@H](C)O[*:1])c1nc(C)n[nH]1
CC[C@@H](NC(=O)[C@H](C)Oc1cccc(F)c1)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@@H](NC(=O)[C@H](C)Oc1cccc(F)c1)[*:1]
CS(=O)(=O)CC1(CC(=O)NCc2ccc(-n3cncn3)cc2)CC1 CS(=O)(=O)C[*:1] O=C(CC1(CC1)[*:1])NCc1ccc(cc1)-n1cncn1
CS(=O)(=O)CC1(CC(=O)NCc2ccc(-n3cncn3)cc2)CC1 CS(=O)(=O)[*:1] O=C(CC1(CC1)C[*:1])NCc1ccc(cc1)-n1cncn1
CS(=O)(=O)CC1(CC(=O)NCc2ccc(-n3cncn3)cc2)CC1 c1ncn(n1)[*:1] CS(=O)(=O)CC1(CC1)CC(=O)NCc1ccc(cc1)[*:1]
CS(=O)(=O)CC1(CC(=O)NCc2ccc(-n3cncn3)cc2)CC1 CS(=O)(=O)CC1(CC1)[*:1] O=C(C[*:1])NCc1ccc(cc1)-n1cncn1
C[C@H](CN(C)Cc1nnc(-c2ccccc2)o1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CN(C)Cc1nnc(o1)[*:1])c1ccccc1
C[C@H](CN(C)Cc1nnc(-c2ccccc2)o1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CN(C)Cc1nnc(o1)-c1ccccc1)[*:1]
COCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 O=C([O-])[*:1] COCC[C@@]1(CCCN(C1)C(=O)Cc1c(C)nc(C)[nH]c1=O)[*:1]
COCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 COC[*:1] Cc1nc(C)c(CC(=O)N2CCC[C@](C2)(C[*:1])C(=O)[O-])c(=O)[nH]1
COCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 COCC[*:1] Cc1nc(C)c(CC(=O)N2CCC[C@](C2)(C(=O)[O-])[*:1])c(=O)[nH]1
C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 c1cnn(c1)[*:1] C[C@@H](C[*:1])NC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1Cl
C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 c1cnn(c1)C[*:1] C[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1Cl)[*:1]
C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 Clc1ccccc1[*:1] C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 C[C@@H](Cn1cccn1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1Cl
Cc1cccc(CC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 c1coc(c1)[*:1] Cc1cccc(c1)CC(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1cccc(CC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 Cc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)C[*:1])c1ccco1
O=C(N/N=C\c1cccc(Br)c1)[C@H]1COc2ccccc2O1 Brc1cccc(c1)[*:1] O=C(NN=C[*:1])[C@H]1COc2ccccc2O1
Cc1nc(N2CCOCC2)c2c(C)c(C(=O)Nc3ccc(C(F)(F)F)cc3)sc2n1 C1CN(CCO1)[*:1] Cc1nc(c2c(C)c(sc2n1)C(=O)Nc1ccc(cc1)C(F)(F)F)[*:1]
Cc1nc(N2CCOCC2)c2c(C)c(C(=O)Nc3ccc(C(F)(F)F)cc3)sc2n1 FC(F)(F)c1ccc(cc1)[*:1] Cc1nc(c2c(C)c(sc2n1)C(=O)N[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)c2c(C)c(C(=O)Nc3ccc(C(F)(F)F)cc3)sc2n1 FC(F)(F)[*:1] Cc1nc(c2c(C)c(sc2n1)C(=O)Nc1ccc(cc1)[*:1])N1CCOCC1
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C)sc1C#CCO OCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N[C@H]1CCC[C@@H]1C
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C)sc1C#CCO C[C@H]1CCC[C@@H]1[*:1] Cc1cc(sc1C#CCO)C(=O)N[*:1]
Cn1nc([C@H]2CCCN(C(=O)Cn3cccc3)C2)n(-c2ccccc2)c1=O c1ccn(c1)C[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)[*:1])n(-c2ccccc2)c1=O
Cn1nc([C@H]2CCCN(C(=O)Cn3cccc3)C2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)Cn2cccc2)n(c1=O)[*:1]
Cn1nc([C@H]2CCCN(C(=O)Cn3cccc3)C2)n(-c2ccccc2)c1=O c1ccn(c1)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)C[*:1])n(-c2ccccc2)c1=O
O=C(NCCCOCC1CC1)N1CCC[C@@H](O)C1 C1CC1COC[*:1] O=C(NCC[*:1])N1CCC[C@@H](O)C1
O=C(NCCCOCC1CC1)N1CCC[C@@H](O)C1 C1CC1CO[*:1] O=C(NCCC[*:1])N1CCC[C@@H](O)C1
O=C(NCCCOCC1CC1)N1CCC[C@@H](O)C1 C1CC1[*:1] O=C(NCCCOC[*:1])N1CCC[C@@H](O)C1
O=C(NCCCOCC1CC1)N1CCC[C@@H](O)C1 C1CC1C[*:1] O=C(NCCCO[*:1])N1CCC[C@@H](O)C1
CNC(=O)c1ccc(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N(CCO)[C@@H]1CCCc2ccccc21
CNC(=O)c1ccc(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)cc1 OCC[*:1] CNC(=O)c1ccc(cc1)NC(=O)N([C@@H]1CCCc2ccccc21)[*:1]
O=C(OCCCc1ccncc1)[C@H]1CCCN1C(=O)c1ccco1 c1coc(c1)[*:1] O=C(OCCCc1ccncc1)[C@H]1CCCN1C(=O)[*:1]
O=C(OCCCc1ccncc1)[C@H]1CCCN1C(=O)c1ccco1 c1cc(ccn1)CC[*:1] O=C(OC[*:1])[C@H]1CCCN1C(=O)c1ccco1
O=C(OCCCc1ccncc1)[C@H]1CCCN1C(=O)c1ccco1 c1cc(ccn1)C[*:1] O=C(OCC[*:1])[C@H]1CCCN1C(=O)c1ccco1
O=C(OCCCc1ccncc1)[C@H]1CCCN1C(=O)c1ccco1 c1cc(ccn1)[*:1] O=C(OCCC[*:1])[C@H]1CCCN1C(=O)c1ccco1
Cc1nc(-c2cccs2)sc1-c1ccc(=O)n(CCNC(=O)/C=C/c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1nc(sc1-c1ccc(=O)n(CCNC(=O)C=C[*:1])n1)-c1cccs1
Cc1nc(-c2cccs2)sc1-c1ccc(=O)n(CCNC(=O)/C=C/c2ccc(F)cc2)n1 c1csc(c1)[*:1] Cc1nc(sc1-c1ccc(=O)n(CCNC(=O)/C=C/c2ccc(F)cc2)n1)[*:1]
Cc1nc(-c2cccs2)sc1-c1ccc(=O)n(CCNC(=O)/C=C/c2ccc(F)cc2)n1 Fc1ccc(C=C[*:1])cc1 Cc1nc(sc1-c1ccc(=O)n(CCNC(=O)[*:1])n1)-c1cccs1
COc1cccc(N2C(=O)[C@@H]3Cc4cc(OC)c(OC)cc4CN3C2=S)c1 COc1cccc(c1)[*:1] COc1cc2C[C@H]3C(=O)N(C(=S)N3Cc2cc1OC)[*:1]
O=c1ccc(C(F)(F)F)cn1Cc1ccc([N+](=O)[O-])cc1 FC(F)(F)[*:1] O=c1ccc(cn1Cc1ccc(cc1)[N+](=O)[O-])[*:1]
O=c1ccc(C(F)(F)F)cn1Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=c1ccc(cn1Cc1ccc(cc1)[*:1])C(F)(F)F
Cc1nc(NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)cc(-c2cc[nH]n2)n1 c1cc(n[nH]1)[*:1] Cc1nc(cc(n1)[*:1])NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1
Cc1nc(NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)cc(-c2cc[nH]n2)n1 Fc1ccc(cc1)[*:1] Cc1nc(cc(n1)-c1cc[nH]n1)NC[C@H]([NH+]1CCCC1)[*:1]
CCc1nc(CNC(=O)N2CCN(c3cc(F)ccc3F)CC2)cs1 CCc1nc(cs1)[*:1] O=C(NC[*:1])N1CCN(CC1)c1cc(F)ccc1F
CCc1nc(CNC(=O)N2CCN(c3cc(F)ccc3F)CC2)cs1 CCc1nc(cs1)C[*:1] O=C(N[*:1])N1CCN(CC1)c1cc(F)ccc1F
CCc1nc(CNC(=O)N2CCN(c3cc(F)ccc3F)CC2)cs1 Fc1ccc(F)c(c1)[*:1] CCc1nc(cs1)CNC(=O)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)CCC(=O)[*:1]
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 O=[N+]([O-])[*:1] O=C(CCCn1c(=O)oc2cc(ccc21)[*:1])N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 C1CC1[*:1] O=C(CCCn1c(=O)oc2cc(ccc21)[N+](=O)[O-])N1CC[C@H]2[C@H](CCC(=O)N2[*:1])C1
Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)cc1F Cc1ccc(cc1F)[*:1] O=C(COC(=O)/C=C/c1ccc2OCOc2c1)N[*:1]
C[C@H]1Cc2cc(-c3csc(-c4ccccc4)n3)ccc2N1S(C)(=O)=O c1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2N1S(C)(=O)=O)-c1csc(n1)[*:1]
CC1(C)CN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC[S@]1=O c1ccc(cc1)[*:1] CC1(C)CN(CC[S@]1=O)CC(=O)N(C[*:1])c1ccccc1
CC1(C)CN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC[S@]1=O c1ccc(cc1)[*:1] CC1(C)CN(CC[S@]1=O)CC(=O)N(Cc1ccccc1)[*:1]
CC1(C)CN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC[S@]1=O c1ccc(cc1)C[*:1] CC1(C)CN(CC[S@]1=O)CC(=O)N(c1ccccc1)[*:1]
Cc1cc(C(=O)NCCn2cc[nH+]c2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)NCCn1cc[nH+]c1
Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc(Br)cc1
Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)s1 Brc1ccc(cc1)[*:1] Cc1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
O[C@@H](C[C@H]1CCCN1c1cccc[nH+]1)c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](C[C@H]1CCCN1c1cccc[nH+]1)[*:1]
CC1CCN(c2ccc(CNC(=O)c3cc(C4CC4)on3)c[nH+]2)CC1 CC1CCN(CC1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])c1cc(on1)C1CC1
CC1CCN(c2ccc(CNC(=O)c3cc(C4CC4)on3)c[nH+]2)CC1 C1CC1[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)c1cc(on1)[*:1]
CC1CCN(c2ccc(CNC(=O)c3cc(C4CC4)on3)c[nH+]2)CC1 c1c(noc1C1CC1)[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)[*:1]
COc1ccc(CCC(=O)N2CCC[C@@H](c3nc4c(c(C)[nH+]3)CCCN4C)C2)cc1 COc1ccc(cc1)[*:1] Cc1[nH+]c(nc2c1CCCN2C)[C@@H]1CCCN(C1)C(=O)CC[*:1]
COc1ccc(CCC(=O)N2CCC[C@@H](c3nc4c(c(C)[nH+]3)CCCN4C)C2)cc1 COc1ccc(cc1)CC[*:1] Cc1[nH+]c(nc2c1CCCN2C)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(CCC(=O)N2CCC[C@@H](c3nc4c(c(C)[nH+]3)CCCN4C)C2)cc1 COc1ccc(cc1)C[*:1] Cc1[nH+]c(nc2c1CCCN2C)[C@@H]1CCCN(C1)C(=O)C[*:1]
Br[C@H](Cc1nc2ccccc2o1)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] Br[C@H](Cc1nc2ccccc2o1)[*:1]
COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cc1)c1ccc(cc1)NC(=O)[*:1]
C#CCNc1cc(C)nc2ncnn12 C#CCN[*:1] Cc1cc(n2ncnc2n1)[*:1]
C#CCNc1cc(C)nc2ncnn12 C#CC[*:1] Cc1cc(N[*:1])n2ncnc2n1
CC(C)(C)c1nn(Cc2ccccc2Cl)c(N)c1Br CC(C)(C)[*:1] Nc1c(Br)c(nn1Cc1ccccc1Cl)[*:1]
Cc1csc(CN(C)C(=O)c2cn(C)nc2C(C)(C)C)n1 CC(C)(C)[*:1] Cc1csc(CN(C)C(=O)c2cn(C)nc2[*:1])n1
Cc1csc(CN(C)C(=O)c2cn(C)nc2C(C)(C)C)n1 Cc1csc(n1)[*:1] CN(C[*:1])C(=O)c1cn(C)nc1C(C)(C)C
Cc1csc(CN(C)C(=O)c2cn(C)nc2C(C)(C)C)n1 Cc1csc(C[*:1])n1 CN(C(=O)c1cn(C)nc1C(C)(C)C)[*:1]
Cc1nn(CCO)c(C)c1CN1CCN(C2=[NH+]C[C@@H](C)S2)CC1 OCC[*:1] Cc1nn(c(C)c1CN1CCN(CC1)C1=[NH+]C[C@@H](C)S1)[*:1]
O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N[*:1]
O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Br)c1 Clc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)[*:1])Nc1cccc(Br)c1
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C([O-])C(=O)N2C)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H]1C(C(=O)c2ccc3OCOc3c2)=C([O-])C(=O)N1C
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C([O-])C(=O)N2C)cc1OC c1cc2OCOc2cc1[*:1] CCOc1ccc(cc1OC)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C
COCCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 COC[*:1] C[C@]1(Cn2c(nc3ccccc32)C(=O)N1CC[*:1])C(=O)NC1CCCCCCC1
COCCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 COCC[*:1] C[C@]1(Cn2c(nc3ccccc32)C(=O)N1C[*:1])C(=O)NC1CCCCCCC1
COCCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 COCCC[*:1] C[C@]1(Cn2c(nc3ccccc32)C(=O)N1[*:1])C(=O)NC1CCCCCCC1
COCCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] COCCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)N[*:1]
CC(C)CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] CC(C)CNC(=O)Nc1cnn(c1)[*:1]
CC(C)CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 CC(C)[*:1] O=C(NC[*:1])Nc1cnn(c1)C[C@H]1CCCO1
CC(C)CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 CC(C)C[*:1] O=C(Nc1cnn(c1)C[C@H]1CCCO1)N[*:1]
CC(C)CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CC(C)CNC(=O)Nc1cnn(c1)C[*:1]
COc1ccc(OC(=O)c2ccccc2-c2cncnc2)cc1F c1ncc(cn1)[*:1] COc1ccc(cc1F)OC(=O)c1ccccc1[*:1]
C[C@H](CNC(=O)c1cccs1)Oc1ccc(Cl)cc1 c1csc(c1)[*:1] C[C@H](CNC(=O)[*:1])Oc1ccc(Cl)cc1
CSc1ccc(-c2noc(CN3CCN(c4cccc(Cl)c4)CC3)n2)cc1 CSc1ccc(cc1)[*:1] Clc1cccc(c1)N1CCN(CC1)Cc1nc(no1)[*:1]
CSc1ccc(-c2noc(CN3CCN(c4cccc(Cl)c4)CC3)n2)cc1 Clc1cccc(c1)[*:1] CSc1ccc(cc1)-c1noc(CN2CCN(CC2)[*:1])n1
Cc1nnc(CN2CCN(CC(=O)N3CCCC[C@H]3C)CC2)o1 Cc1nnc(o1)[*:1] C[C@@H]1CCCCN1C(=O)CN1CCN(CC1)C[*:1]
Cc1nnc(CN2CCN(CC(=O)N3CCCC[C@H]3C)CC2)o1 Cc1nnc(C[*:1])o1 C[C@@H]1CCCCN1C(=O)CN1CCN(CC1)[*:1]
NC(=O)COC(=O)c1cc(Br)ccc1Cl NC(=O)[*:1] O=C(OC[*:1])c1cc(Br)ccc1Cl
NC(=O)COC(=O)c1cc(Br)ccc1Cl NC(=O)C[*:1] O=C(O[*:1])c1cc(Br)ccc1Cl
C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CCC(=O)c1ccccc1)OCCO3 c1ccc(cc1)[*:1] C[C@@H]1c2cc3OCCOc3cc2C2(CCCC2)CN1C(=O)CCC(=O)[*:1]
C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CCC(=O)c1ccccc1)OCCO3 O=C(CC[*:1])c1ccccc1 C[C@@H]1c2cc3OCCOc3cc2C2(CCCC2)CN1C(=O)[*:1]
C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CCC(=O)c1ccccc1)OCCO3 O=C(C[*:1])c1ccccc1 C[C@@H]1c2cc3OCCOc3cc2C2(CCCC2)CN1C(=O)C[*:1]
C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CCC(=O)c1ccccc1)OCCO3 O=C(c1ccccc1)[*:1] C[C@@H]1c2cc3OCCOc3cc2C2(CCCC2)CN1C(=O)CC[*:1]
OCCn1nccc1C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 c1cc(ccn1)[*:1] OCCn1nccc1C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
OCCn1nccc1C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 OCCn1nccc1[*:1] c1cc(cc(c1)-c1ccncc1)C[NH+]1CCC(CC1)[*:1]
OCCn1nccc1C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 OCC[*:1] c1cc(cc(c1)-c1ccncc1)C[NH+]1CCC(CC1)c1ccnn1[*:1]
COc1ccccc1C[C@H](C)N(C)Cc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] COc1ccccc1C[C@H](C)N(C)Cc1ccc(cc1)[*:1]
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](CCO)[*:1]
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](CCO)c1ccccc1 OCC[*:1] Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccccc1)[*:1]
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](CCO)c1ccccc1 Cc1c(Cl)cccc1[*:1] O=C(NC[C@H](CCO)c1ccccc1)C(=O)N[*:1]
CN(C)C(=O)[C@H](c1ccccc1)N(C)CCS(C)(=O)=O c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](N(C)CCS(C)(=O)=O)[*:1]
CN(C)C(=O)[C@H](c1ccccc1)N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] CN(C)C(=O)[C@H](c1ccccc1)N(C)CC[*:1]
CN(C)C(=O)[C@H](c1ccccc1)N(C)CCS(C)(=O)=O CN(C)C(=O)[*:1] CN(CCS(C)(=O)=O)[C@@H](c1ccccc1)[*:1]
CN(C)C(=O)[C@H](c1ccccc1)N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] CN(C)C(=O)[C@H](c1ccccc1)N(C)C[*:1]
CN(C)C(=O)[C@H](c1ccccc1)N(C)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] CN(C)C(=O)[C@H](c1ccccc1)N(C)[*:1]
Cc1cc(C)c(/C([O-])=N/S(=O)(=O)C[C@H]2CCCCO2)o1 C1CC[C@@H](OC1)[*:1] Cc1cc(C)c(o1)/C([O-])=N/S(=O)(=O)C[*:1]
C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)N[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1cc(C(C)=O)cs1 C=CC[*:1] CC(=O)c1csc(c1)/C([O-])=N/S(=O)(=O)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1cc(C(C)=O)cs1 CC(=O)[*:1] C=CCS(=O)(=O)/N=C(\[O-])c1cc(cs1)[*:1]
CC(C)[C@@H](CNC(=O)COc1ccc(Br)cc1F)N1CCOCC1 CC(C)[*:1] O=C(COc1ccc(Br)cc1F)NC[C@@H](N1CCOCC1)[*:1]
CC(C)[C@@H](CNC(=O)COc1ccc(Br)cc1F)N1CCOCC1 Fc1cc(Br)ccc1[*:1] CC(C)[C@@H](CNC(=O)CO[*:1])N1CCOCC1
CC(C)[C@@H](CNC(=O)COc1ccc(Br)cc1F)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@@H](CNC(=O)COc1ccc(Br)cc1F)[*:1]
CCC(CC)([C@H](N)c1ccc(C(C)C)cc1)[NH+](C)C CC(C)[*:1] CCC(CC)([C@H](N)c1ccc(cc1)[*:1])[NH+](C)C
CCC[C@H]1C[NH2+][C@H](CC)CN1Cc1nc(C)cs1 Cc1csc(n1)[*:1] CCC[C@H]1C[NH2+][C@H](CC)CN1C[*:1]
CCC[C@H]1C[NH2+][C@H](CC)CN1Cc1nc(C)cs1 CCC[*:1] CC[C@@H]1CN(Cc2nc(C)cs2)[C@H](C[NH2+]1)[*:1]
CC(C)[C@H]([NH2+][C@H](C)c1nc2ccccc2n1C)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@H]([NH2+][C@H](C)c1nc2ccccc2n1C)[*:1]
CC(C)[C@H]([NH2+][C@H](C)c1nc2ccccc2n1C)C(=O)N1CCOCC1 CC(C)[*:1] C[C@@H]([NH2+][C@H](C(=O)N1CCOCC1)[*:1])c1nc2ccccc2n1C
COc1cccc([C@@H]2CC(=O)Nc3[nH]nc(C)c32)c1OCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COc1cccc(c1O[*:1])[C@@H]1CC(=O)Nc2[nH]nc(C)c21
COc1cccc([C@@H]2CC(=O)Nc3[nH]nc(C)c32)c1OCc1ccc(F)cc1 Fc1ccc(cc1)CO[*:1] COc1cccc(c1[*:1])[C@@H]1CC(=O)Nc2[nH]nc(C)c21
COc1cccc([C@@H]2CC(=O)Nc3[nH]nc(C)c32)c1OCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cccc(c1OC[*:1])[C@@H]1CC(=O)Nc2[nH]nc(C)c21
CCCC(=O)Nc1cccc(NC(=O)c2ccc([S@](C)=O)cc2)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(cc1)[S@](C)=O
CCCC(=O)Nc1cccc(NC(=O)c2ccc([S@](C)=O)cc2)c1C CCC[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)c1ccc(cc1)[S@](C)=O
CC1(C)CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)CCO1 c1ccc(cc1)[*:1] CC1(C)CN(CCO1)C(=O)N[C@H](C(C)(C)C)[*:1]
CC1(C)CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)CCO1 CC(C)(C)[*:1] CC1(C)CN(CCO1)C(=O)N[C@H](c1ccccc1)[*:1]
CC[C@H](NC(=O)NC[C@@]1(C)CCCO1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](NC(=O)NC[C@@]1(C)CCCO1)[*:1]
O=C(NC[C@@H](O)c1ccoc1)[C@@H]1COc2ccccc2O1 O[C@@H](c1ccoc1)[*:1] O=C(NC[*:1])[C@@H]1COc2ccccc2O1
O=C(NC[C@@H](O)c1ccoc1)[C@@H]1COc2ccccc2O1 c1cc(co1)[*:1] O=C(NC[C@@H](O)[*:1])[C@@H]1COc2ccccc2O1
COc1ccc(C(=O)N/N=C2/NC(=O)/C(=C\c3ccc(C)cc3)S2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N/N=C1/NC(=O)C(=C[*:1])S1
COc1ccc(C(=O)N/N=C2/NC(=O)/C(=C\c3ccc(C)cc3)S2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(/C=C2/S/C(=N\NC(=O)[*:1])NC2=O)cc1
C#CCNCC(=O)N1CCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] C#CCNCC(=O)N1CCN(CC1)C[*:1]
C#CCNCC(=O)N1CCN(CC(F)(F)F)CC1 C#CCNC[*:1] O=C(N1CCN(CC1)CC(F)(F)F)[*:1]
C#CCNCC(=O)N1CCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] C#CCNCC(=O)N1CCN(CC1)[*:1]
C#CCNCC(=O)N1CCN(CC(F)(F)F)CC1 C#CC[*:1] O=C(CN[*:1])N1CCN(CC1)CC(F)(F)F
C#CCNCC(=O)N1CCN(CC(F)(F)F)CC1 C#CCN[*:1] O=C(C[*:1])N1CCN(CC1)CC(F)(F)F
COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1ccc(-c2ccccc2)cc1 c1nc(c[nH]1)C[*:1] COC(=O)[C@@H](NC(=O)c1ccc(cc1)-c1ccccc1)[*:1]
COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1ccc(cc1)[*:1]
COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1ccc(-c2ccccc2)cc1 COC(=O)[*:1] O=C(N[C@H](Cc1c[nH]cn1)[*:1])c1ccc(cc1)-c1ccccc1
COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1ccc(-c2ccccc2)cc1 c1nc(c[nH]1)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)c1ccc(cc1)-c1ccccc1
CC(C)[C@@H]1C(=O)NCCN1CC(=O)N[C@@H](c1ccccc1)c1nccs1 c1csc(n1)[*:1] CC(C)[C@@H]1C(=O)NCCN1CC(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H]1C(=O)NCCN1CC(=O)N[C@@H](c1ccccc1)c1nccs1 c1ccc(cc1)[*:1] CC(C)[C@@H]1C(=O)NCCN1CC(=O)N[C@@H](c1nccs1)[*:1]
CC(C)[C@@H]1C(=O)NCCN1CC(=O)N[C@@H](c1ccccc1)c1nccs1 CC(C)[*:1] O=C(CN1CCNC(=O)[C@H]1[*:1])N[C@@H](c1ccccc1)c1nccs1
CCNC(=O)c1cccc(NC(=O)N(Cc2cccnc2)C(C)C)c1 CC(C)[*:1] CCNC(=O)c1cccc(c1)NC(=O)N(Cc1cccnc1)[*:1]
CCNC(=O)c1cccc(NC(=O)N(Cc2cccnc2)C(C)C)c1 CCNC(=O)[*:1] CC(C)N(Cc1cccnc1)C(=O)Nc1cccc(c1)[*:1]
CCNC(=O)c1cccc(NC(=O)N(Cc2cccnc2)C(C)C)c1 c1cncc(c1)C[*:1] CCNC(=O)c1cccc(c1)NC(=O)N(C(C)C)[*:1]
CCNC(=O)c1cccc(NC(=O)N(Cc2cccnc2)C(C)C)c1 c1cncc(c1)[*:1] CCNC(=O)c1cccc(c1)NC(=O)N(C[*:1])C(C)C
CC(C)(C)OC[C@H](O)CN1CCN(C(=O)c2cccc(Cl)c2)CC1 CC(C)(C)OC[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)C[C@@H](O)[*:1]
CC(C)(C)OC[C@H](O)CN1CCN(C(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC(C)(C)OC[C@H](O)CN1CCN(CC1)C(=O)[*:1]
CC(C)(C)OC[C@H](O)CN1CCN(C(=O)c2cccc(Cl)c2)CC1 CC(C)(C)[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)C[C@@H](O)CO[*:1]
CC(C)(C)OC[C@H](O)CN1CCN(C(=O)c2cccc(Cl)c2)CC1 CC(C)(C)O[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)C[C@@H](O)C[*:1]
CC(C)NC(=O)CC[C@H]1NC(=O)N(Cc2ccco2)C1=O CC(C)NC(=O)[*:1] O=C1N[C@H](CC[*:1])C(=O)N1Cc1ccco1
CC(C)NC(=O)CC[C@H]1NC(=O)N(Cc2ccco2)C1=O c1coc(c1)[*:1] CC(C)NC(=O)CC[C@H]1NC(=O)N(C[*:1])C1=O
CC(C)NC(=O)CC[C@H]1NC(=O)N(Cc2ccco2)C1=O CC(C)NC(=O)C[*:1] O=C1N[C@H](C[*:1])C(=O)N1Cc1ccco1
CC(C)NC(=O)CC[C@H]1NC(=O)N(Cc2ccco2)C1=O CC(C)[*:1] O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N[*:1]
CC(C)NC(=O)CC[C@H]1NC(=O)N(Cc2ccco2)C1=O c1coc(c1)C[*:1] CC(C)NC(=O)CC[C@H]1NC(=O)N(C1=O)[*:1]
C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC Cc1ccc(cc1)[*:1] C=CCOc1ccc(cc1OC)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1C[*:1]
C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC Cc1ccc(cc1)C[*:1] C=CCOc1ccc(cc1OC)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1Cc1ccc(C)cc1
C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1Cc1ccc(C)cc1
Cc1cc(=O)n(C)cc1NC(=O)CC1CN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1cc(=O)n(C)cc1NC(=O)CC1CN(C1)C(=O)O[*:1]
Cc1ccc(N2CC(C)(C)[NH2+]C[C@H]2C(C)C)c(C)[nH+]1 CC(C)[*:1] Cc1ccc(c(C)[nH+]1)N1CC(C)(C)[NH2+]C[C@@H]1[*:1]
O=C(Cn1c(=O)cnc2ccccc21)N1CCCO[C@@H](Cn2cccn2)C1 c1cnn(c1)[*:1] O=C(Cn1c(=O)cnc2ccccc21)N1CCCO[C@H](C1)C[*:1]
O=C(Cn1c(=O)cnc2ccccc21)N1CCCO[C@@H](Cn2cccn2)C1 c1cnn(c1)C[*:1] O=C(Cn1c(=O)cnc2ccccc21)N1CCCO[C@@H](C1)[*:1]
Cc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C1=Cc2cc(Cl)ccc2OC1
CC[NH2+][C@@H](c1ccc(F)c(Br)c1)C1CCCC1 C1CCC(C1)[*:1] CC[NH2+][C@@H](c1ccc(F)c(Br)c1)[*:1]
O=C(NCc1ccccc1F)c1ccc(CN2CC(=O)N3CSC[C@H]3C2=O)cc1 Fc1ccccc1[*:1] O=C(NC[*:1])c1ccc(cc1)CN1CC(=O)N2CSC[C@H]2C1=O
O=C(NCc1ccccc1F)c1ccc(CN2CC(=O)N3CSC[C@H]3C2=O)cc1 Fc1ccccc1C[*:1] O=C(N[*:1])c1ccc(cc1)CN1CC(=O)N2CSC[C@H]2C1=O
Cc1csc([C@@H](C)NS(=O)(=O)c2cc(Br)ccc2Cl)n1 Cc1csc(n1)[*:1] C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[*:1]
CC(C)c1ccc(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 CC(C)[*:1] CN1CCN(CC1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CCn1cc(N=C=S)cn1 S=C=N[*:1] CCn1cc(cn1)[*:1]
COc1ccccc1N1C(=O)C2=C3CC(C)(C)OC[C@H]3SC2=NC1=S COc1ccccc1[*:1] CC1(C)CC2=C3C(=O)N(C(=S)N=C3S[C@@H]2CO1)[*:1]
Cc1csc(CNC(=O)Nc2ncccc2C)n1 Cc1csc(n1)[*:1] Cc1cccnc1NC(=O)NC[*:1]
C[C@H](Sc1nnc(C2CC2)n1C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 C1CC1[*:1] C[C@H](Sc1nnc(n1C)[*:1])c1nc2scc(-c3ccco3)c2c(=O)[nH]1
C[C@H](Sc1nnc(C2CC2)n1C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 Cn1c(nnc1[*:1])C1CC1 C[C@H](S[*:1])c1nc2scc(-c3ccco3)c2c(=O)[nH]1
C[C@H](Sc1nnc(C2CC2)n1C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 c1coc(c1)[*:1] C[C@H](Sc1nnc(C2CC2)n1C)c1nc2scc(c2c(=O)[nH]1)[*:1]
CCCOc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCOCC1 C1CN(CCO1)C[*:1] CCCOc1ccccc1C(=O)N1CCCC[C@H]1C[*:1]
CCCOc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCOCC1 CCC[*:1] O=C(c1ccccc1O[*:1])N1CCCC[C@H]1CCN1CCOCC1
CCCOc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCOCC1 C1CN(CCO1)CC[*:1] CCCOc1ccccc1C(=O)N1CCCC[C@@H]1[*:1]
CCCOc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCOCC1 CCCO[*:1] O=C(c1ccccc1[*:1])N1CCCC[C@H]1CCN1CCOCC1
CCCOc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCOCC1 C1CN(CCO1)[*:1] CCCOc1ccccc1C(=O)N1CCCC[C@H]1CC[*:1]
CCc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 CCc1ccccc1[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N[*:1]
CCc1ccccc1NC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)N1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccccc1)c1nnc(C(=O)NC2CCCCCC2)s1 c1ccc(cc1)[*:1] O=C(NC1CCCCCC1)c1nnc(s1)C(=O)N[*:1]
O=C(Nc1ccccc1)c1nnc(C(=O)NC2CCCCCC2)s1 C1CCCC(CC1)[*:1] O=C(Nc1ccccc1)c1nnc(s1)C(=O)N[*:1]
COC(=O)Nc1cccc(OCc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] COC(=O)Nc1cccc(c1)OCc1cccc(c1)[*:1]
COC(=O)Nc1cccc(OCc2cccc([N+](=O)[O-])c2)c1 COC(=O)N[*:1] O=[N+]([O-])c1cccc(c1)COc1cccc(c1)[*:1]
CC(C)c1ccc(CNc2ncc(Br)cn2)cc1 CC(C)[*:1] Brc1cnc(nc1)NCc1ccc(cc1)[*:1]
COC(=O)[C@@]1([NH3+])CCC[C@@H](SCC2CCCC2)C1 COC(=O)[*:1] [NH3+][C@]1(CCC[C@H](C1)SCC1CCCC1)[*:1]
COC(=O)[C@@]1([NH3+])CCC[C@@H](SCC2CCCC2)C1 C1CCC(C1)C[*:1] COC(=O)[C@@]1([NH3+])CCC[C@H](C1)S[*:1]
COC(=O)[C@@]1([NH3+])CCC[C@@H](SCC2CCCC2)C1 C1CCC(C1)[*:1] COC(=O)[C@@]1([NH3+])CCC[C@H](C1)SC[*:1]
COc1ccccc1NC1CCN(C(=O)C[C@@H](O)c2ccccc2)CC1 COc1ccccc1[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCC(CC1)N[*:1]
COc1ccccc1NC1CCN(C(=O)C[C@@H](O)c2ccccc2)CC1 O[C@@H](c1ccccc1)[*:1] COc1ccccc1NC1CCN(CC1)C(=O)C[*:1]
COc1ccccc1NC1CCN(C(=O)C[C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1NC1CCN(CC1)C(=O)C[C@@H](O)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1sc(C)c(Br)c1OC C=CC[*:1] COc1c(sc(C)c1Br)/C([O-])=N/S(=O)(=O)[*:1]
Cn1cc(CCC(=O)N2CCCCC[C@H]2c2ccncc2)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])N1CCCCC[C@H]1c1ccncc1
Cn1cc(CCC(=O)N2CCCCC[C@H]2c2ccncc2)cn1 c1cc(ccn1)[*:1] Cn1cc(cn1)CCC(=O)N1CCCCC[C@@H]1[*:1]
Cn1cc(CCC(=O)N2CCCCC[C@H]2c2ccncc2)cn1 Cn1cc(cn1)C[*:1] O=C(C[*:1])N1CCCCC[C@H]1c1ccncc1
CC(C)c1nnc(SCc2nc(-c3ccoc3)no2)n1C CC(C)[*:1] Cn1c(nnc1[*:1])SCc1nc(no1)-c1ccoc1
CC(C)c1nnc(SCc2nc(-c3ccoc3)no2)n1C c1cc(co1)[*:1] CC(C)c1nnc(SCc2nc(no2)[*:1])n1C
COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccco1 c1coc(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@H]1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccco1 COCC[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccco1)[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccco1 COC[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccco1
COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccco1 Cc1ccc(C)c(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccco1
Cc1ccc(-n2ncc3c(SCC(=O)Nc4cccc(C(F)(F)F)c4)ncnc32)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-n1ncc2c(ncnc21)SCC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(-n2ncc3c(SCC(=O)Nc4cccc(C(F)(F)F)c4)ncnc32)cc1 FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(cc1)-n1ncc2c(ncnc21)SCC(=O)N[*:1]
Cc1ccc(-n2ncc3c(SCC(=O)Nc4cccc(C(F)(F)F)c4)ncnc32)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1ncnc2c1cnn2[*:1])Nc1cccc(c1)C(F)(F)F
C[C@@H](c1ccccn1)N(C)C(=O)c1cn(Cc2ccc(F)cc2)nn1 c1ccc(nc1)[*:1] C[C@@H](N(C)C(=O)c1cn(Cc2ccc(F)cc2)nn1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)c1cn(Cc2ccc(F)cc2)nn1 Fc1ccc(cc1)C[*:1] C[C@@H](c1ccccn1)N(C)C(=O)c1cn(nn1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)c1cn(Cc2ccc(F)cc2)nn1 Fc1ccc(cc1)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)c1cn(C[*:1])nn1
CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccco3)CC2)c1 CC(=O)c1cccc(c1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1ccco1
CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccco3)CC2)c1 CC(=O)[*:1] C[C@H](C(=O)Nc1cccc(c1)[*:1])N1CCN(CC1)C(=O)c1ccco1
CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3ccco3)CC2)c1 c1coc(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](C)N1CCN(CC1)C(=O)[*:1]
COc1ccccc1OCC(=O)N1CCN(C(=O)c2ccc(C)s2)CC1 COc1ccccc1[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)CO[*:1]
COc1ccccc1OCC(=O)N1CCN(C(=O)c2ccc(C)s2)CC1 Cc1ccc(s1)[*:1] COc1ccccc1OCC(=O)N1CCN(CC1)C(=O)[*:1]
CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCc1ncn(C)n1 Cn1cnc(C[*:1])n1 CN(CC1(CC1)c1ccc(Br)cc1)C(=O)N[*:1]
CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CN(CC1(CC1)c1ccc(Br)cc1)C(=O)NC[*:1]
CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCc1ncn(C)n1 Brc1ccc(cc1)[*:1] CN(CC1(CC1)[*:1])C(=O)NCc1ncn(C)n1
CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)C[NH+]1CCN(c2ccccc2)CC1)OCO3 CCOC(=O)[*:1] O=C(C[NH+]1CCN(CC1)c1ccccc1)Nc1c([nH]c2cc3OCOc3cc12)[*:1]
CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)C[NH+]1CCN(c2ccccc2)CC1)OCO3 c1ccc(cc1)[*:1] CCOC(=O)c1[nH]c2cc3OCOc3cc2c1NC(=O)C[NH+]1CCN(CC1)[*:1]
Cc1cc(C)cc(OCCN(C)C(=O)c2cc(C3CC3)on2)c1 C1CC1[*:1] Cc1cc(C)cc(c1)OCCN(C)C(=O)c1cc(on1)[*:1]
Cc1nsc2c1[C@H](c1nc(C(C)C)cs1)CC(=O)N2 CC(C)[*:1] Cc1nsc2NC(=O)C[C@@H](c3nc(cs3)[*:1])c12
Cc1sc2ncn(CCC(=O)N[C@H](C)C3CC3)c(=O)c2c1C C1CC1[*:1] Cc1sc2ncn(CCC(=O)N[C@H](C)[*:1])c(=O)c2c1C
Cc1sc2ncn(CCC(=O)N[C@H](C)C3CC3)c(=O)c2c1C C[C@H](C1CC1)[*:1] Cc1sc2ncn(CCC(=O)N[*:1])c(=O)c2c1C
N#Cc1ccc(OCCNC(=O)NCCc2cccc(O)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])NCCc1cccc(O)c1
N#Cc1ccc(OCCNC(=O)NCCc2cccc(O)c2)cc1 Oc1cccc(c1)C[*:1] N#Cc1ccc(cc1)OCCNC(=O)NC[*:1]
N#Cc1ccc(OCCNC(=O)NCCc2cccc(O)c2)cc1 Oc1cccc(c1)[*:1] N#Cc1ccc(cc1)OCCNC(=O)NCC[*:1]
CCC[NH2+][C@H]1CCN([C@@H](C)Cc2ccc(C)s2)[C@H](C)[C@@H]1C Cc1ccc(s1)[*:1] CCC[NH2+][C@H]1CCN([C@@H](C)C[*:1])[C@H](C)[C@@H]1C
CCC[NH2+][C@H]1CCN([C@@H](C)Cc2ccc(C)s2)[C@H](C)[C@@H]1C Cc1ccc(C[*:1])s1 CCC[NH2+][C@H]1CCN([C@@H](C)[*:1])[C@H](C)[C@@H]1C
CCC[NH2+][C@H]1CCN([C@@H](C)Cc2ccc(C)s2)[C@H](C)[C@@H]1C CCC[*:1] Cc1ccc(C[C@H](C)N2CC[C@H]([NH2+][*:1])[C@@H](C)[C@H]2C)s1
CCc1ccc([C@@H](C)NC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 C1CO[C@H](C1)[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)Nc1cccc(c1)OC[*:1]
CCc1ccc([C@@H](C)NC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)OC[C@H]1CCCO1)[*:1]
CCc1ccc([C@@H](C)NC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 C1CO[C@H](C1)CO[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
CCc1ccc([C@@H](C)NC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 C1CO[C@H](C1)C[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)Nc1cccc(c1)O[*:1]
COCc1nc2cc(N[C@H](C)c3nc(C(C)C)no3)ccc2o1 CC(C)[*:1] COCc1nc2cc(ccc2o1)N[C@H](C)c1nc(no1)[*:1]
COCc1nc2cc(N[C@H](C)c3nc(C(C)C)no3)ccc2o1 COC[*:1] CC(C)c1noc(n1)[C@@H](C)Nc1ccc2oc(nc2c1)[*:1]
Cc1ccc(N[C@H]2CCN(CC(F)(F)F)C2=O)c(Cl)c1 FC(F)(F)[*:1] Cc1ccc(N[C@H]2CCN(C[*:1])C2=O)c(Cl)c1
Cc1ccc(N[C@H]2CCN(CC(F)(F)F)C2=O)c(Cl)c1 FC(F)(F)C[*:1] Cc1ccc(N[C@H]2CCN(C2=O)[*:1])c(Cl)c1
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N1CCCC(C)(C)CC1 CCS(=O)(=O)[*:1] CC1(C)CCCN(CC1)C(=O)c1cc(Cl)ccc1[*:1]
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(C)Cc3ccc(C)o3)n2)n1 Cc1ccc(o1)[*:1] Cc1cc(C)n(n1)-c1ccc(Cl)c(n1)C(=O)N(C)C[*:1]
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(C)Cc3ccc(C)o3)n2)n1 Cc1ccc(C[*:1])o1 Cc1cc(C)n(n1)-c1ccc(Cl)c(n1)C(=O)N(C)[*:1]
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(C)Cc3ccc(C)o3)n2)n1 Cc1cc(C)n(n1)[*:1] Cc1ccc(CN(C)C(=O)c2nc(ccc2Cl)[*:1])o1
CCC[C@@H](C)C[C@H](C)[C@@H](C)[NH2+]C1CC1 CCC[*:1] C[C@@H](C[C@H](C)[*:1])[C@@H](C)[NH2+]C1CC1
CCC[C@@H](C)C[C@H](C)[C@@H](C)[NH2+]C1CC1 C1CC1[*:1] CCC[C@@H](C)C[C@H](C)[C@@H](C)[NH2+][*:1]
COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(C)cc5C)c(=O)n4ccn3n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(NC(=O)Cn2nc3c4cc(nn4ccn3c2=O)[*:1])c(C)c1
COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(C)cc5C)c(=O)n4ccn3n2)cc1 Cc1ccc(NC(=O)[*:1])c(C)c1 COc1ccc(cc1)-c1cc2c3nn(C[*:1])c(=O)n3ccn2n1
COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(C)cc5C)c(=O)n4ccn3n2)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)-c1cc2c3nn(CC(=O)N[*:1])c(=O)n3ccn2n1
CCOc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)NC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C)c(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1 O=C(N1CCCC1)[*:1] Cc1ccc(C)c(c1)NC(=O)CNc1ccc(cc1)[*:1]
Cc1ccc(C)c(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CNc1ccc(cc1)C(=O)N1CCCC1)N[*:1]
C#CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(OC)ccc21 C#CC[*:1] COc1ccc2c(c1)s/c(=N\C(=O)c1ccc(cc1)C(C)=O)n2[*:1]
C#CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(OC)ccc21 CC(=O)[*:1] C#CCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cc(ccc21)OC
N#C/C(=C/c1ccco1)C(=O)OC/C=C/c1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C/c1ccco1)C(=O)OCC=C[*:1]
N#C/C(=C/c1ccco1)C(=O)OC/C=C/c1ccccc1 c1coc(c1)[*:1] N#CC(=C[*:1])C(=O)OC/C=C/c1ccccc1
N#Cc1ccccc1/C([O-])=N/S(=O)(=O)N1CCc2ccccc2C1 N#Cc1ccccc1[*:1] O=S(=O)(/N=C(\[O-])[*:1])N1CCc2ccccc2C1
CCN(C(=O)CS(=O)(=O)[C@@H](C)[C@H](C)O)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)CS(=O)(=O)[C@@H](C)[C@H](C)O)[*:1]
O=C(NCc1cccc(OCC(F)F)n1)[C@@H]1COCCO1 FC(F)[*:1] O=C(NCc1cccc(n1)OC[*:1])[C@@H]1COCCO1
O=C(NCc1cccc(OCC(F)F)n1)[C@@H]1COCCO1 FC(F)C[*:1] O=C(NCc1cccc(n1)O[*:1])[C@@H]1COCCO1
O=C(NCc1cccc(OCC(F)F)n1)[C@@H]1COCCO1 FC(F)CO[*:1] O=C(NCc1cccc(n1)[*:1])[C@@H]1COCCO1
O=C(NCc1cccc(OCC(F)F)n1)[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] O=C(NCc1cccc(n1)OCC(F)F)[*:1]
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc2ccccc2[nH]c1=O Cc1ccccc1[*:1] N#C/C(=C\c1cc2ccccc2[nH]c1=O)C(=O)N[*:1]
CO[C@@]1(C)C[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)C1(C)C CN(C)C(=O)[*:1] CO[C@@]1(C)C[C@H](NC(=O)c2ccc(cc2)[*:1])C1(C)C
O=C([O-])c1ccc(C(=O)[O-])c(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)c1 O=C([O-])[*:1] O=C(Nc1cc(ccc1C(=O)[O-])[*:1])c1ccc(cc1)OC(=O)c1ccccc1
O=C([O-])c1ccc(C(=O)[O-])c(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)c1 O=C([O-])[*:1] O=C([O-])c1ccc(c(c1)NC(=O)c1ccc(cc1)OC(=O)c1ccccc1)[*:1]
O=C([O-])c1ccc(C(=O)[O-])c(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)c1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(C(=O)[O-])c(c1)NC(=O)c1ccc(cc1)OC(=O)[*:1]
O=C([O-])c1ccc(C(=O)[O-])c(NC(=O)c2ccc(OC(=O)c3ccccc3)cc2)c1 O=C(O[*:1])c1ccccc1 O=C([O-])c1ccc(C(=O)[O-])c(c1)NC(=O)c1ccc(cc1)[*:1]
O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(OCc2cscn2)c1 c1nc(cs1)CO[*:1] O=C(NCC1(CCCCC1)[NH+]1CCCCC1)c1cccc(c1)[*:1]
O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(OCc2cscn2)c1 c1nc(cs1)[*:1] O=C(NCC1(CCCCC1)[NH+]1CCCCC1)c1cccc(c1)OC[*:1]
O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(OCc2cscn2)c1 c1nc(cs1)C[*:1] O=C(NCC1(CCCCC1)[NH+]1CCCCC1)c1cccc(c1)O[*:1]
NC(=O)[C@H](c1ccccc1)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 NC(=O)[*:1] c1ccc(cc1)-c1nc(nc2ccccc12)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
NC(=O)[C@H](c1ccccc1)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 c1ccc(cc1)[*:1] NC(=O)[C@H](c1ccccc1)N1CCN(CC1)c1nc(c2ccccc2n1)[*:1]
NC(=O)[C@H](c1ccccc1)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 c1ccc(cc1)[*:1] NC(=O)[C@H](N1CCN(CC1)c1nc(-c2ccccc2)c2ccccc2n1)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccoc1)C2 c1cc(co1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)[*:1]
CN(Cc1ccccc1N1CCCC1)S(=O)(=O)/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 CN(Cc1ccccc1N1CCCC1)S(=O)(=O)[*:1]
CN(Cc1ccccc1N1CCCC1)S(=O)(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccccc1N1CCCC1)S(=O)(=O)C=C[*:1]
CN(Cc1ccccc1N1CCCC1)S(=O)(=O)/C=C/c1ccccc1 C1CCN(C1)[*:1] CN(Cc1ccccc1[*:1])S(=O)(=O)/C=C/c1ccccc1
C/[NH+]=C(/NCc1c(C)nn(CCOC)c1C)N1C[C@@H](C)C[C@@H](C)C1 COC[*:1] C/[NH+]=C(/NCc1c(C)nn(C[*:1])c1C)N1C[C@@H](C)C[C@@H](C)C1
C/[NH+]=C(/NCc1c(C)nn(CCOC)c1C)N1C[C@@H](C)C[C@@H](C)C1 COCC[*:1] C/[NH+]=C(/NCc1c(C)nn(c1C)[*:1])N1C[C@@H](C)C[C@@H](C)C1
CCOC(=O)c1c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n(-c2ccccc2)c1C Clc1ccc(cc1)[*:1] CCOC(=O)c1c(c(C)n(-c2ccccc2)c1C)S(=O)(=O)N[*:1]
CCOC(=O)c1c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n(-c2ccccc2)c1C CCOC(=O)[*:1] Cc1c(c(c(C)n1-c1ccccc1)[*:1])S(=O)(=O)Nc1ccc(Cl)cc1
CCOC(=O)c1c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n(-c2ccccc2)c1C c1ccc(cc1)[*:1] CCOC(=O)c1c(c(C)n(c1C)[*:1])S(=O)(=O)Nc1ccc(Cl)cc1
COc1cccc(NC(=S)N2CCN(c3ccccc3OC)CC2)c1 COc1cccc(c1)[*:1] COc1ccccc1N1CCN(CC1)C(=S)N[*:1]
COc1cccc(NC(=S)N2CCN(c3ccccc3OC)CC2)c1 COc1ccccc1[*:1] COc1cccc(c1)NC(=S)N1CCN(CC1)[*:1]
[NH3+]CCc1cc(Br)ccc1O[C@@H]1CCOC2(CCC2)C1 [NH3+]CC[*:1] Brc1ccc(O[C@@H]2CCOC3(CCC3)C2)c(c1)[*:1]
CC[C@@H](C)NC(=O)c1nc(-c2ccc(N3CCCCC3)cc2)no1 CC[C@@H](C)NC(=O)[*:1] c1cc(ccc1-c1noc(n1)[*:1])N1CCCCC1
CC[C@@H](C)NC(=O)c1nc(-c2ccc(N3CCCCC3)cc2)no1 C1CCN(CC1)[*:1] CC[C@@H](C)NC(=O)c1nc(no1)-c1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)c1nc(-c2ccc(N3CCCCC3)cc2)no1 CC[C@@H](C)[*:1] O=C(N[*:1])c1nc(no1)-c1ccc(cc1)N1CCCCC1
CC(C)[C@H](C)[S@](=O)[C@@H](C)C(=O)Nc1ccccc1F CC(C)[*:1] C[C@@H](C(=O)Nc1ccccc1F)[S@@](=O)[C@@H](C)[*:1]
CC(C)[C@H](C)[S@](=O)[C@@H](C)C(=O)Nc1ccccc1F CC(C)[C@H](C)[*:1] C[C@@H](C(=O)Nc1ccccc1F)[S@@](=O)[*:1]
COC(=O)c1ccc(OC[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1 COC(=O)[*:1] C[C@@H]1CN(C[C@H](O)COc2ccc(cc2)[*:1])C[C@@H](C)O1
COC(=O)C[C@@H](NC(=O)c1ccc(C=O)cc1)C1CC1 COC(=O)[*:1] O=Cc1ccc(cc1)C(=O)N[C@H](C[*:1])C1CC1
COC(=O)C[C@@H](NC(=O)c1ccc(C=O)cc1)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)c1ccc(C=O)cc1)[*:1]
COC(=O)C[C@@H](NC(=O)c1ccc(C=O)cc1)C1CC1 COC(=O)C[*:1] O=Cc1ccc(cc1)C(=O)N[C@@H](C1CC1)[*:1]
CC[NH2+][C@@H]([C@@H]1CCCc2cccnc21)[C@@H](C)OCC CCO[C@H](C)[*:1] CC[NH2+][C@@H]([C@@H]1CCCc2cccnc21)[*:1]
CC[NH2+][C@@H]([C@@H]1CCCc2cccnc21)[C@@H](C)OCC CCO[*:1] CC[NH2+][C@@H]([C@@H]1CCCc2cccnc21)[C@@H](C)[*:1]
O=C(NCCCC1CCCC1)NC1CCN(C(=O)C2CCCCC2)CC1 C1CCC(C1)CC[*:1] O=C(NC[*:1])NC1CCN(CC1)C(=O)C1CCCCC1
O=C(NCCCC1CCCC1)NC1CCN(C(=O)C2CCCCC2)CC1 C1CCC(C1)[*:1] O=C(NCCC[*:1])NC1CCN(CC1)C(=O)C1CCCCC1
O=C(NCCCC1CCCC1)NC1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(NCCCC1CCCC1)NC1CCN(CC1)C(=O)[*:1]
O=C(NCCCC1CCCC1)NC1CCN(C(=O)C2CCCCC2)CC1 C1CCC(C1)C[*:1] O=C(NCC[*:1])NC1CCN(CC1)C(=O)C1CCCCC1
O=C(NCCCC1CCCC1)NC1CCN(C(=O)C2CCCCC2)CC1 C1CCC(C1)CCC[*:1] O=C(NC1CCN(CC1)C(=O)C1CCCCC1)N[*:1]
CC[C@H](C)S[C@H]1CC[C@@](CO)([NH2+]C(C)C)C1 CC[C@H](C)S[*:1] CC(C)[NH2+][C@]1(CO)CC[C@@H](C1)[*:1]
CC[C@H](C)S[C@H]1CC[C@@](CO)([NH2+]C(C)C)C1 CC[C@H](C)[*:1] CC(C)[NH2+][C@]1(CO)CC[C@@H](C1)S[*:1]
CC[C@H](C)S[C@H]1CC[C@@](CO)([NH2+]C(C)C)C1 CC(C)[*:1] CC[C@H](C)S[C@H]1CC[C@](CO)(C1)[NH2+][*:1]
Cc1ccc(Cl)c2sc(N(Cc3ccncc3)C(=O)c3ccco3)nc12 c1cc(ccn1)C[*:1] Cc1ccc(Cl)c2sc(nc12)N(C(=O)c1ccco1)[*:1]
Cc1ccc(Cl)c2sc(N(Cc3ccncc3)C(=O)c3ccco3)nc12 c1cc(ccn1)[*:1] Cc1ccc(Cl)c2sc(nc12)N(C[*:1])C(=O)c1ccco1
Cc1ccc(Cl)c2sc(N(Cc3ccncc3)C(=O)c3ccco3)nc12 c1coc(c1)[*:1] Cc1ccc(Cl)c2sc(nc12)N(Cc1ccncc1)C(=O)[*:1]
O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)C1CC1)C(=O)N[*:1]
O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 C1CC1[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)C1CC1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1cccc(c1)S(N)(=O)=O
CCNC(=S)NC1=c2cc(Cl)ccc2=[NH+][C@@H]1C(=O)OCC CCOC(=O)[*:1] CCNC(=S)NC1=c2cc(Cl)ccc2=[NH+][C@H]1[*:1]
CCNC(=S)NC1=c2cc(Cl)ccc2=[NH+][C@@H]1C(=O)OCC CCNC(=S)N[*:1] CCOC(=O)[C@H]1[NH+]=c2ccc(Cl)cc2=C1[*:1]
CCOC(=O)C[C@H]1COCCN1C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 CCOC(=O)[*:1] O=C(c1csc2nc(cn12)-c1ccc(F)cc1)N1CCOC[C@@H]1C[*:1]
CCOC(=O)C[C@H]1COCCN1C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 CCOC(=O)C[*:1] O=C(c1csc2nc(cn12)-c1ccc(F)cc1)N1CCOC[C@@H]1[*:1]
CCOC(=O)C[C@H]1COCCN1C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 Fc1ccc(cc1)[*:1] CCOC(=O)C[C@H]1COCCN1C(=O)c1csc2nc(cn12)[*:1]
C=C[C@](C)(O)C[C@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]21C C=C[C@](C)(O)[*:1] CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@](C)(O)[C@@H]2C[*:1]
C=C[C@](C)(O)C[C@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]21C C=C[C@](C)(O)C[*:1] CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@](C)(O)[C@@H]2[*:1]
Cc1cccnc1C(=O)N1CCO[C@](C)(C(N)=O)C1 NC(=O)[*:1] Cc1cccnc1C(=O)N1CCO[C@](C)(C1)[*:1]
C=C1c2ccccc2C(=O)N1[C@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C=C1c2ccccc2C(=O)N1[C@](C)(C(=O)[O-])[*:1]
CCn1nc(C)c2nc(CCCl)n(CCc3cccs3)c21 c1csc(c1)CC[*:1] CCn1nc(C)c2nc(CCCl)n(c21)[*:1]
CCn1nc(C)c2nc(CCCl)n(CCc3cccs3)c21 c1csc(c1)[*:1] CCn1nc(C)c2nc(CCCl)n(CC[*:1])c21
CCn1nc(C)c2nc(CCCl)n(CCc3cccs3)c21 ClCC[*:1] CCn1nc(C)c2nc(n(CCc3cccs3)c21)[*:1]
CCn1nc(C)c2nc(CCCl)n(CCc3cccs3)c21 c1csc(c1)C[*:1] CCn1nc(C)c2nc(CCCl)n(C[*:1])c21
COC(=O)c1sc(CN2CCOCC2)nc1C COC(=O)[*:1] Cc1nc(CN2CCOCC2)sc1[*:1]
CN(Cc1nc(C(F)(F)F)cs1)C(=O)C1C(C)(C)C1(C)C CC1(C)C(C1(C)C)[*:1] CN(Cc1nc(cs1)C(F)(F)F)C(=O)[*:1]
CN(Cc1nc(C(F)(F)F)cs1)C(=O)C1C(C)(C)C1(C)C FC(F)(F)[*:1] CN(Cc1nc(cs1)[*:1])C(=O)C1C(C)(C)C1(C)C
C[C@H]1OCC[C@@H]1C(=O)OCc1nc(Cc2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] C[C@H]1OCC[C@@H]1C(=O)OCc1nc(C[*:1])no1
CS(=O)(=O)Nc1ccc(Oc2ncccn2)cc1 CS(=O)(=O)N[*:1] c1cnc(nc1)Oc1ccc(cc1)[*:1]
CS(=O)(=O)Nc1ccc(Oc2ncccn2)cc1 c1cnc(nc1)[*:1] CS(=O)(=O)Nc1ccc(cc1)O[*:1]
C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 C=C(C)C[*:1] Fc1ccc(cc1)[C@@H]1CCC[C@H]1[NH2+]CCO[*:1]
C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 C=C(C)[*:1] Fc1ccc(cc1)[C@@H]1CCC[C@H]1[NH2+]CCOC[*:1]
C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 C=C(C)COC[*:1] Fc1ccc(cc1)[C@@H]1CCC[C@H]1[NH2+]C[*:1]
C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 C=C(C)CO[*:1] Fc1ccc(cc1)[C@@H]1CCC[C@H]1[NH2+]CC[*:1]
CC[C@H](C)N(C)C(=O)NCCCn1ccc2ccccc21 CC[C@H](C)[*:1] CN(C(=O)NCCCn1ccc2ccccc21)[*:1]
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1[N+](=O)[O-] O=S(=O)(N1CCOCC1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
COCCC(=O)N[C@H](C)c1cnc(-c2ccncc2)nc1C COC[*:1] Cc1nc(ncc1[C@@H](C)NC(=O)C[*:1])-c1ccncc1
COCCC(=O)N[C@H](C)c1cnc(-c2ccncc2)nc1C c1cc(ccn1)[*:1] COCCC(=O)N[C@H](C)c1cnc(nc1C)[*:1]
COCCC(=O)N[C@H](C)c1cnc(-c2ccncc2)nc1C COCC[*:1] Cc1nc(ncc1[C@@H](C)NC(=O)[*:1])-c1ccncc1
COCCC(=O)N[C@H](C)c1cnc(-c2ccncc2)nc1C COCCC(=O)N[*:1] Cc1nc(ncc1[C@@H](C)[*:1])-c1ccncc1
CCC[C@@H]1CC[C@H](O)[C@H](Cc2nonc2C)C1 CCC[*:1] Cc1nonc1C[C@@H]1C[C@@H](CC[C@@H]1O)[*:1]
O=C(NCc1nc(-c2ccccc2)cs1)C1=CCCCO1 c1ccc(cc1)[*:1] O=C(NCc1nc(cs1)[*:1])C1=CCCCO1
O=C(CSc1ccccc1)N1CCC[C@@H](C(=O)N2CCCC2)C1 c1ccc(cc1)S[*:1] O=C(C[*:1])N1CCC[C@H](C1)C(=O)N1CCCC1
O=C(CSc1ccccc1)N1CCC[C@@H](C(=O)N2CCCC2)C1 O=C(N1CCCC1)[*:1] O=C(CSc1ccccc1)N1CCC[C@@H](C1)[*:1]
O=C(CSc1ccccc1)N1CCC[C@@H](C(=O)N2CCCC2)C1 c1ccc(cc1)[*:1] O=C(CS[*:1])N1CCC[C@H](C1)C(=O)N1CCCC1
COc1ccc([C@H]2N(C(C)=O)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1N(CCCN1S(=O)(=O)[*:1])C(C)=O
COc1ccc([C@H]2N(C(C)=O)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] CC(=O)N1CCCN([C@H]1[*:1])S(=O)(=O)c1ccc(C)cc1
CSCC(=O)NNC(=O)Nc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CSCC(=O)NNC(=O)Nc1nc(cs1)[*:1]
CSCC(=O)NNC(=O)Nc1nc(C(F)(F)F)cs1 CSC[*:1] O=C(NNC(=O)[*:1])Nc1nc(cs1)C(F)(F)F
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc2cnccc12 COc1ccccc1[*:1] O=C(Nc1cccc2cnccc12)N1CCC[C@H]1[*:1]
O=C(NCc1ccccn1)C(=O)N/N=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1ccccn1)C(=O)NN=C[*:1]
O=C(NCc1ccccn1)C(=O)N/N=C/c1ccc(Cl)cc1 c1ccc(nc1)[*:1] O=C(NC[*:1])C(=O)N/N=C/c1ccc(Cl)cc1
O=C(NCc1ccccn1)C(=O)N/N=C/c1ccc(Cl)cc1 c1ccc(C[*:1])nc1 O=C(N/N=C/c1ccc(Cl)cc1)C(=O)N[*:1]
CCC(=O)NCC(=O)NC[C@H](C)c1c(Cl)cccc1Cl CCC(=O)N[*:1] C[C@@H](CNC(=O)C[*:1])c1c(Cl)cccc1Cl
CCC(=O)NCC(=O)NC[C@H](C)c1c(Cl)cccc1Cl CCC(=O)NC[*:1] C[C@@H](CNC(=O)[*:1])c1c(Cl)cccc1Cl
COc1cc(C[NH+]2CCNC(=O)C2(C)C)ccc1OC(=O)C1CC1 C1CC1[*:1] COc1cc(ccc1OC(=O)[*:1])C[NH+]1CCNC(=O)C1(C)C
COc1cc(C[NH+]2CCNC(=O)C2(C)C)ccc1OC(=O)C1CC1 O=C(O[*:1])C1CC1 COc1cc(ccc1[*:1])C[NH+]1CCNC(=O)C1(C)C
Cc1coc2c(C)c3oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc12 O=C([O-])[*:1] Cc1coc2c(C)c3oc(=O)c(CC(=O)NCC(=O)N[C@H](C(C)C)[*:1])c(C)c3cc12
Cc1coc2c(C)c3oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc12 CC(C)[*:1] Cc1coc2c(C)c3oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])[*:1])c(C)c3cc12
NS(=O)(=O)c1ccc(N2CCN(Cc3ccsc3)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NS(=O)(=O)c1ccc(c(c1)[*:1])N1CCN(CC1)Cc1ccsc1
NS(=O)(=O)c1ccc(N2CCN(Cc3ccsc3)CC2)c([N+](=O)[O-])c1 c1cc(cs1)[*:1] NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C[*:1]
NS(=O)(=O)c1ccc(N2CCN(Cc3ccsc3)CC2)c([N+](=O)[O-])c1 c1cc(cs1)C[*:1] NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
NS(=O)(=O)c1ccc(N2CCN(Cc3ccsc3)CC2)c([N+](=O)[O-])c1 NS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1N1CCN(CC1)Cc1ccsc1)[*:1]
COc1cccc([C@@H](CO)NC(=O)c2cc(C)no2)c1 Cc1cc(on1)[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)[*:1]
CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] CC(=O)N/C(=C/c1ccccc1)C(=O)N[*:1]
CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccccc1Cl CC(=O)N[*:1] O=C(Nc1ccccc1Cl)C(=Cc1ccccc1)[*:1]
CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccccc1Cl c1ccc(cc1)[*:1] CC(=O)NC(=C[*:1])C(=O)Nc1ccccc1Cl
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 CC(C)(C)C[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)[C@@H]1CSCN1C(=O)[*:1]
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 C1CCN(C1)[*:1] CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1ccc([nH+]c1)[*:1]
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 CC(C)(C)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)[C@@H]1CSCN1C(=O)C[*:1]
Cc1c(C#N)c(NC(=O)CSc2nnc3n2CCCCC3)n(-c2ccccc2)c1C C1CCc2nnc(n2CC1)[*:1] Cc1c(C#N)c(NC(=O)CS[*:1])n(-c2ccccc2)c1C
Cc1c(C#N)c(NC(=O)CSc2nnc3n2CCCCC3)n(-c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1c(C#N)c(NC(=O)CSc2nnc3CCCCCn32)n(c1C)[*:1]
Cc1ccc(-c2noc(CS(=O)(=O)CC(=O)Nc3ccc(C)c(C)c3)n2)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)-c1noc(CS(=O)(=O)CC(=O)N[*:1])n1
Cc1ccc(-c2noc(CS(=O)(=O)CC(=O)Nc3ccc(C)c(C)c3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)CS(=O)(=O)Cc1nc(no1)[*:1]
Cc1cc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)no1 Cc1cc(C[*:1])no1 C[C@@H](NC(=O)CS(=O)(=O)[*:1])c1ccccc1
Cc1cc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)no1 Cc1cc(no1)[*:1] C[C@@H](NC(=O)CS(=O)(=O)C[*:1])c1ccccc1
Cc1cc(CS(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(CS(=O)(=O)CC(=O)N[C@H](C)[*:1])no1
CC1=C(C(=O)CSc2nc(C3CC3)n[nH]2)C[C@H](C)N1c1ccccc1 C1CC1[*:1] CC1=C(C[C@H](C)N1c1ccccc1)C(=O)CSc1nc(n[nH]1)[*:1]
CC1=C(C(=O)CSc2nc(C3CC3)n[nH]2)C[C@H](C)N1c1ccccc1 c1ccc(cc1)[*:1] CC1=C(C[C@H](C)N1[*:1])C(=O)CSc1nc(n[nH]1)C1CC1
CC1=C(C(=O)CSc2nc(C3CC3)n[nH]2)C[C@H](C)N1c1ccccc1 C1CC1c1n[nH]c(n1)[*:1] CC1=C(C[C@H](C)N1c1ccccc1)C(=O)CS[*:1]
CCc1nn2c3ccccc3n(C)c2c1C(=O)N/N=C/c1cccnc1 c1cncc(c1)[*:1] CCc1nn2c3ccccc3n(C)c2c1C(=O)NN=C[*:1]
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1ccc(C#N)cc1 CC(C)N(C)S(=O)(=O)[*:1] Cc1ccc(cc1NCc1ccc(C#N)cc1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1NC[*:1])S(=O)(=O)N(C)C(C)C
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1ccc(C#N)cc1 CC(C)[*:1] Cc1ccc(cc1NCc1ccc(C#N)cc1)S(=O)(=O)N(C)[*:1]
O=C([O-])CC[C@@]1(c2ccc(F)cc2)NC(=O)NC1=O O=C([O-])CC[*:1] O=C1NC(=O)[C@](N1)(c1ccc(F)cc1)[*:1]
O=C([O-])CC[C@@]1(c2ccc(F)cc2)NC(=O)NC1=O O=C([O-])C[*:1] O=C1NC(=O)[C@@](C[*:1])(N1)c1ccc(F)cc1
O=C([O-])CC[C@@]1(c2ccc(F)cc2)NC(=O)NC1=O O=C([O-])[*:1] O=C1NC(=O)[C@@](CC[*:1])(N1)c1ccc(F)cc1
COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2[nH]cnc2c1 Fc1ccc(cc1)C[*:1] COC(=O)[C@H](NC(=O)c1ccc2[nH]cnc2c1)[*:1]
COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2[nH]cnc2c1 COC(=O)[*:1] O=C(N[C@@H](Cc1ccc(F)cc1)[*:1])c1ccc2[nH]cnc2c1
COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2[nH]cnc2c1 Fc1ccc(cc1)[*:1] COC(=O)[C@H](C[*:1])NC(=O)c1ccc2[nH]cnc2c1
Brc1cccc(-c2nn3c(COc4ccccc4)nnc3s2)c1 c1ccc(cc1)[*:1] Brc1cccc(c1)-c1nn2c(CO[*:1])nnc2s1
Brc1cccc(-c2nn3c(COc4ccccc4)nnc3s2)c1 Brc1cccc(c1)[*:1] c1ccc(cc1)OCc1nnc2sc(nn12)[*:1]
Brc1cccc(-c2nn3c(COc4ccccc4)nnc3s2)c1 c1ccc(cc1)O[*:1] Brc1cccc(c1)-c1nn2c(C[*:1])nnc2s1
Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 C1CN(CCO1)[*:1] Cc1cnc(nc1[C@H]1CCCN(C1)C(=O)/C=C/c1cccnc1)SCC[*:1]
Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 C(=C[*:1])c1cccnc1 Cc1cnc(nc1[C@H]1CCCN(C1)C(=O)[*:1])SCCN1CCOCC1
Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 C1CN(CCO1)C[*:1] Cc1cnc(nc1[C@H]1CCCN(C1)C(=O)/C=C/c1cccnc1)SC[*:1]
Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 c1cncc(c1)[*:1] Cc1cnc(nc1[C@H]1CCCN(C1)C(=O)C=C[*:1])SCCN1CCOCC1
Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 C1CN(CCO1)CC[*:1] Cc1cnc(nc1[C@H]1CCCN(C1)C(=O)/C=C/c1cccnc1)S[*:1]
Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 C1CN(CCO1)CCS[*:1] Cc1cnc(nc1[C@H]1CCCN(C1)C(=O)/C=C/c1cccnc1)[*:1]
C=C(C)COCC[NH2+][C@H](C)c1cc(F)cc(F)c1 C=C(C)COC[*:1] C[C@@H]([NH2+]C[*:1])c1cc(F)cc(F)c1
C=C(C)COCC[NH2+][C@H](C)c1cc(F)cc(F)c1 C=C(C)[*:1] C[C@@H]([NH2+]CCOC[*:1])c1cc(F)cc(F)c1
C=C(C)COCC[NH2+][C@H](C)c1cc(F)cc(F)c1 C=C(C)C[*:1] C[C@@H]([NH2+]CCO[*:1])c1cc(F)cc(F)c1
C=C(C)COCC[NH2+][C@H](C)c1cc(F)cc(F)c1 C=C(C)CO[*:1] C[C@@H]([NH2+]CC[*:1])c1cc(F)cc(F)c1
COc1ccc(CN2CCN(C(=O)N[C@@H](C)CCCO)CC2)cc1F OCC[*:1] COc1ccc(cc1F)CN1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
COc1ccc(CN2CCN(C(=O)N[C@@H](C)CCCO)CC2)cc1F OCCC[*:1] COc1ccc(cc1F)CN1CCN(CC1)C(=O)N[C@@H](C)[*:1]
CC(=O)Nc1ccc(F)c(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)c1 CC(C)(C)[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)NC1CCC(CC1)C(=O)O[*:1]
CC(=O)Nc1ccc(F)c(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)c1 CC(=O)N[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)c1cc(ccc1F)[*:1]
CC(=O)Nc1ccc(F)c(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)c1 CC(C)(C)OC(=O)[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)NC1CCC(CC1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] C[C@H](c1ccccc1)N(C)C(=O)c1ccc(cc1)O[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 C[C@H](c1ccccc1)[*:1] CN(C(=O)c1ccc(cc1)OC[C@@H]1CCCO1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] C[C@H](c1ccccc1)N(C)C(=O)c1ccc(cc1)OC[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1ccc(cc1)OC[C@@H]1CCCO1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)CO[*:1] C[C@H](c1ccccc1)N(C)C(=O)c1ccc(cc1)[*:1]
c1ccc(-c2nccnc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nccnc1[*:1]
CC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 CC(=O)N[*:1] O[C@@H](c1ccccc1)c1cc(Cl)ccc1[*:1]
CC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(Cl)cc1[C@@H](O)[*:1]
CC(C)n1ncc2c(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
CC(C)n1ncc2c(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc(-c3ccccc3)nc21 O=c1[nH]c(nc2ccccc12)[*:1] CC(C)n1ncc2c(cc(nc21)-c1ccccc1)C(=O)N(C)C[*:1]
CC(C)n1ncc2c(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc(-c3ccccc3)nc21 CC(C)[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(nc2c1cnn2[*:1])-c1ccccc1
O=C(Nc1ccccc1Cl)OCn1c(=O)sc2ccccc21 Clc1ccccc1[*:1] O=C(N[*:1])OCn1c(=O)sc2ccccc21
CN[C@H](c1cncnc1)C(C)(C)[NH+]1CCCCCC1 c1ncc(cn1)[*:1] CN[C@H](C(C)(C)[NH+]1CCCCCC1)[*:1]
COc1ccc(/C=C\C(=O)N2CCC(CC(N)=O)CC2)cc1F NC(=O)[*:1] COc1ccc(/C=C\C(=O)N2CCC(CC2)C[*:1])cc1F
COc1ccc(/C=C\C(=O)N2CCC(CC(N)=O)CC2)cc1F NC(=O)C[*:1] COc1ccc(/C=C\C(=O)N2CCC(CC2)[*:1])cc1F
COc1ccc(NC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cn1 COc1ccc(cn1)[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)N[*:1]
COc1ccc(NC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cn1 Cc1ccc(cc1)[*:1] COc1ccc(cn1)NC(=O)NC1CCN(CC1)C(=O)[*:1]
C[N+](C)(C)CC(=O)N1CCN(c2ccc3ccccc3n2)CC1 C[N+](C)(C)[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc2ccccc2n1
C[N+](C)(C)CC(=O)N1CCN(c2ccc3ccccc3n2)CC1 C[N+](C)(C)C[*:1] O=C(N1CCN(CC1)c1ccc2ccccc2n1)[*:1]
C[C@@H]1C[C@H]1c1ccc(/C=C2\N=C(c3cccs3)OC2=O)o1 c1csc(c1)[*:1] C[C@@H]1C[C@H]1c1ccc(/C=C2\N=C(OC2=O)[*:1])o1
CC(C)CCNC(=O)[C@H](C)[S@@](=O)Cc1ccccc1F CC(C)[*:1] C[C@@H](C(=O)NCC[*:1])[S@@](=O)Cc1ccccc1F
CC(C)CCNC(=O)[C@H](C)[S@@](=O)Cc1ccccc1F CC(C)CC[*:1] C[C@@H](C(=O)N[*:1])[S@@](=O)Cc1ccccc1F
CC(C)CCNC(=O)[C@H](C)[S@@](=O)Cc1ccccc1F CC(C)C[*:1] C[C@@H](C(=O)NC[*:1])[S@@](=O)Cc1ccccc1F
COC(=O)c1ccc(C)cc1C COC(=O)[*:1] Cc1ccc(c(C)c1)[*:1]
Cc1noc(CCC(=O)NCCNC(=O)c2ccco2)n1 c1coc(c1)[*:1] Cc1noc(CCC(=O)NCCNC(=O)[*:1])n1
Cc1noc(CCC(=O)NCCNC(=O)c2ccco2)n1 Cc1noc(n1)[*:1] O=C(CC[*:1])NCCNC(=O)c1ccco1
Cc1noc(CCC(=O)NCCNC(=O)c2ccco2)n1 Cc1noc(C[*:1])n1 O=C(C[*:1])NCCNC(=O)c1ccco1
COC(=O)c1cc(OCc2ccc(OC)cc2)c2cc(Cl)ccc2n1 COc1ccc(cc1)[*:1] COC(=O)c1cc(OC[*:1])c2cc(Cl)ccc2n1
COC(=O)c1cc(OCc2ccc(OC)cc2)c2cc(Cl)ccc2n1 COC(=O)[*:1] COc1ccc(cc1)COc1cc(nc2ccc(Cl)cc12)[*:1]
COc1cc(C(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1Br CC(=O)N[*:1] COc1cc(cc(OC)c1Br)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(Cl)cc1C(=O)CSc1nnnn1C Cn1nnnc1[*:1] COc1ccc(Cl)cc1C(=O)CS[*:1]
Cc1cc(CN(C)C(=O)C2CCN(C(=O)COc3ccccc3)CC2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)C1CCN(CC1)C(=O)COc1ccccc1
Cc1cc(CN(C)C(=O)C2CCN(C(=O)COc3ccccc3)CC2)no1 Cc1cc(C[*:1])no1 CN(C(=O)C1CCN(CC1)C(=O)COc1ccccc1)[*:1]
Cc1cc(CN(C)C(=O)C2CCN(C(=O)COc3ccccc3)CC2)no1 c1ccc(cc1)OC[*:1] Cc1cc(CN(C)C(=O)C2CCN(CC2)C(=O)[*:1])no1
Cc1cc(CN(C)C(=O)C2CCN(C(=O)COc3ccccc3)CC2)no1 c1ccc(cc1)[*:1] Cc1cc(CN(C)C(=O)C2CCN(CC2)C(=O)CO[*:1])no1
Cc1cc(CN(C)C(=O)C2CCN(C(=O)COc3ccccc3)CC2)no1 c1ccc(cc1)O[*:1] Cc1cc(CN(C)C(=O)C2CCN(CC2)C(=O)C[*:1])no1
CC[C@@H](C)Nc1ccc(C(=O)OC)nn1 CC[C@@H](C)N[*:1] COC(=O)c1ccc(nn1)[*:1]
CC[C@@H](C)Nc1ccc(C(=O)OC)nn1 COC(=O)[*:1] CC[C@@H](C)Nc1ccc(nn1)[*:1]
CC[C@@H](C)Nc1ccc(C(=O)OC)nn1 CC[C@@H](C)[*:1] COC(=O)c1ccc(nn1)N[*:1]
Cc1c(Cl)ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c12 c1ccc(cc1)C[*:1] Cc1c(Cl)ccc2c(=O)c(c[nH]c12)C(=O)N[*:1]
Cc1c(Cl)ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c12 c1ccc(cc1)[*:1] Cc1c(Cl)ccc2c(=O)c(c[nH]c12)C(=O)NC[*:1]
Fc1cccc(CN2CC[NH+](Cc3ccon3)CC2)c1F c1cc(no1)[*:1] Fc1cccc(CN2CC[NH+](CC2)C[*:1])c1F
Fc1cccc(CN2CC[NH+](Cc3ccon3)CC2)c1F c1cc(C[*:1])no1 Fc1cccc(CN2CC[NH+](CC2)[*:1])c1F
COc1ccccc1CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 COc1ccccc1[*:1] O=C(NC[*:1])C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
COc1ccccc1CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 COc1ccccc1C[*:1] O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)C(=O)N[*:1]
COc1ccccc1CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 c1csc(c1)[*:1] COc1ccccc1CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[*:1]
O=C(c1cc(F)ccc1F)N1CCC([C@@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1 c1cc(cs1)C[*:1] O=C(c1cc(F)ccc1F)N1CCC(CC1)[C@]1(NC(=O)N(C1=O)[*:1])c1cccnc1
O=C(c1cc(F)ccc1F)N1CCC([C@@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1 c1cncc(c1)[*:1] O=C(c1cc(F)ccc1F)N1CCC(CC1)[C@]1(NC(=O)N(Cc2ccsc2)C1=O)[*:1]
O=C(c1cc(F)ccc1F)N1CCC([C@@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1 c1cc(cs1)[*:1] O=C(c1cc(F)ccc1F)N1CCC(CC1)[C@]1(NC(=O)N(C[*:1])C1=O)c1cccnc1
O=C(c1cc(F)ccc1F)N1CCC([C@@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1 Fc1ccc(F)c(c1)[*:1] O=C1N[C@](C(=O)N1Cc1ccsc1)(c1cccnc1)C1CCN(CC1)C(=O)[*:1]
CCOC(=O)[C@@]1(NC)CC[C@H]([NH+](CC)CC)C1 CCOC(=O)[*:1] CC[NH+](CC)[C@H]1CC[C@@](C1)(NC)[*:1]
CC[C@H](C)[C@H]1CNc2c(C)[nH+]n(CC)c2N1 CC[C@H](C)[*:1] CCn1[nH+]c(C)c2NC[C@@H](Nc21)[*:1]
Cc1ncc2c(c1CNC(=O)c1ccccc1-c1ncc[nH]1)CC[NH2+]C2 c1c[nH]c(n1)[*:1] Cc1ncc2C[NH2+]CCc2c1CNC(=O)c1ccccc1[*:1]
COc1ccc(N(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)C(=O)c2ccc(Cl)c(Cl)c2)cc1 Clc1ccc(cc1Cl)[*:1] COc1ccc(cc1)N(CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)C(=O)[*:1]
COc1ccc(N(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)C(=O)c2ccc(Cl)c(Cl)c2)cc1 COc1ccc(cc1)[*:1] O=C1[C@@H]2[C@H](C(=O)N1CN(C(=O)c1ccc(Cl)c(Cl)c1)[*:1])[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
O=C(c1ccccc1F)N(CC(F)(F)F)C1CCOCC1 C1CC(CCO1)[*:1] O=C(c1ccccc1F)N(CC(F)(F)F)[*:1]
O=C(c1ccccc1F)N(CC(F)(F)F)C1CCOCC1 FC(F)(F)C[*:1] O=C(c1ccccc1F)N(C1CCOCC1)[*:1]
O=C(c1ccccc1F)N(CC(F)(F)F)C1CCOCC1 FC(F)(F)[*:1] O=C(c1ccccc1F)N(C[*:1])C1CCOCC1
O=C(c1ccccc1F)N(CC(F)(F)F)C1CCOCC1 Fc1ccccc1[*:1] O=C(N(CC(F)(F)F)C1CCOCC1)[*:1]
COc1cccc(-n2c(C)cn3c4c(=O)n(Cc5cccc(C)c5)c(=O)n(C)c4nc23)c1 COc1cccc(c1)[*:1] Cc1cccc(c1)Cn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
COc1cccc(-n2c(C)cn3c4c(=O)n(Cc5cccc(C)c5)c(=O)n(C)c4nc23)c1 Cc1cccc(c1)C[*:1] COc1cccc(c1)-n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
COc1cccc(-n2c(C)cn3c4c(=O)n(Cc5cccc(C)c5)c(=O)n(C)c4nc23)c1 Cc1cccc(c1)[*:1] COc1cccc(c1)-n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CCOC(=O)c1cnn(Cc2ccc(F)c(Br)c2)c1 CCOC(=O)[*:1] Fc1ccc(cc1Br)Cn1cc(cn1)[*:1]
C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N/N=C/c1ccco1 c1coc(c1)[*:1] C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N/N=C[*:1]
C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N/N=C/c1ccco1 C=CC[*:1] Cc1ccc(cc1)C[C@@H]1S/C(=N/N=C/c2ccco2)N(C1=O)[*:1]
C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N/N=C/c1ccco1 Cc1ccc(cc1)[*:1] C=CCN1C(=O)[C@H](C[*:1])S/C1=N/N=C/c1ccco1
C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N/N=C/c1ccco1 Cc1ccc(cc1)C[*:1] C=CCN1C(=O)[C@H](S/C1=N/N=C/c1ccco1)[*:1]
O=C(NC[C@H](O)C1CCOCC1)Nc1cc(F)ccc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(NC[C@H](O)C1CCOCC1)Nc1cc(F)ccc1[*:1]
O=C(NC[C@H](O)C1CCOCC1)Nc1cc(F)ccc1N1CCCCC1 C1CC(CCO1)[*:1] O=C(NC[C@H](O)[*:1])Nc1cc(F)ccc1N1CCCCC1
C[C@H](NC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1)c1nnc2ccccn12 C[C@H]1C[C@@H]1[*:1] C[C@H](NC(=O)/C=C/c1ccc(o1)[*:1])c1nnc2ccccn12
COc1ccc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1/C=N/NC(=O)[*:1]
COc1ccc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N/N=C/c1ccccc1OS(=O)(=O)[*:1]
CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1[*:1]
CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-] CC(=O)N[*:1] C[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])[*:1]
COc1ccc(CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)cc1 CC(C)(C)NS(=O)(=O)[*:1] COc1ccc(cc1)CNC(=O)c1cc(ccc1C)[*:1]
COc1ccc(CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)NC[*:1])S(=O)(=O)NC(C)(C)C
COc1ccc(CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)NC(C)(C)C
COc1ccc(CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)CNC(=O)c1cc(ccc1C)S(=O)(=O)N[*:1]
CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CC4)C3)c[nH]2)CC1 CC1CCN(CC1)C(=O)[*:1] O=C(NC1CC1)[C@@H]1CCCN(C1)S(=O)(=O)c1c[nH]c(c1)[*:1]
CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CC4)C3)c[nH]2)CC1 C1CC1[*:1] CC1CCN(CC1)C(=O)c1cc(c[nH]1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CC4)C3)c[nH]2)CC1 O=C(NC1CC1)[*:1] CC1CCN(CC1)C(=O)c1cc(c[nH]1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 CC(C)[*:1] O=C(CCn1cc[nH+]c1[*:1])N[C@@H]1CC(=O)N(C1)c1ccccc1
CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(C[C@H](C)NC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)s1 NC(=O)[*:1] Cc1ccc(C[C@H](C)NC(=O)C(=O)Nc2ccc(cc2F)[*:1])s1
Cc1ccc(C[C@H](C)NC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)s1 Cc1ccc(s1)[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc(cc1F)C(N)=O
Cc1ccc(C[C@H](C)NC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)s1 Cc1ccc(C[*:1])s1 C[C@H](NC(=O)C(=O)Nc1ccc(cc1F)C(N)=O)[*:1]
CC(C)[NH2+]Cc1ccc(C[NH3+])o1 CC(C)[NH2+][*:1] [NH3+]Cc1ccc(C[*:1])o1
CC(C)[NH2+]Cc1ccc(C[NH3+])o1 CC(C)[*:1] [NH3+]Cc1ccc(C[NH2+][*:1])o1
CC[C@H]1CN(c2[nH+]ccn(CC(C)C)c2=O)C[C@H](C)O1 CC(C)C[*:1] CC[C@H]1CN(C[C@H](C)O1)c1[nH+]ccn(c1=O)[*:1]
CC[C@H]1CN(c2[nH+]ccn(CC(C)C)c2=O)C[C@H](C)O1 CC(C)[*:1] CC[C@H]1CN(C[C@H](C)O1)c1[nH+]ccn(C[*:1])c1=O
O=C1c2ccccc2C(=O)N1Cc1cc(-c2cccs2)on1 c1csc(c1)[*:1] O=C1c2ccccc2C(=O)N1Cc1cc(on1)[*:1]
CCCCc1nnc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 CCCC[*:1] O=C(Nc1nnc(s1)[*:1])N1CCC[C@@H]1c1ccc2OCCOc2c1
CCCCc1nnc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 CCCCc1nnc(s1)[*:1] O=C(N[*:1])N1CCC[C@@H]1c1ccc2OCCOc2c1
CCCCc1nnc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 CCC[*:1] O=C(Nc1nnc(C[*:1])s1)N1CCC[C@@H]1c1ccc2OCCOc2c1
C=CCNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 Fc1ccccc1[*:1] C=CCNC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
C=CCNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 C=CC[*:1] O=C(Nc1sc2CCCCc2c1C(=O)N[*:1])c1ccccc1F
C=CCNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 C=CCNC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])c1ccccc1F
CCn1c(SCC(=O)[O-])nnc1-c1ccc(C)cc1 O=C([O-])C[*:1] CCn1c(nnc1-c1ccc(C)cc1)S[*:1]
CCn1c(SCC(=O)[O-])nnc1-c1ccc(C)cc1 O=C([O-])CS[*:1] CCn1c(nnc1[*:1])-c1ccc(C)cc1
CCn1c(SCC(=O)[O-])nnc1-c1ccc(C)cc1 O=C([O-])[*:1] CCn1c(nnc1-c1ccc(C)cc1)SC[*:1]
O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(ccc1F)[*:1]
O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F Clc1cc(Cl)cc(c1)[*:1] O=C(N[*:1])c1cc(ccc1F)S(=O)(=O)N1CCOCC1
CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 c1ccc2[nH]c(nc2c1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(cc1)[*:1]
CCCCS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 CCCC[*:1] O=S(=O)(N1CC=C(CC1)c1c[nH]c2cc(F)ccc12)[*:1]
CCCCS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 CCC[*:1] O=S(=O)(C[*:1])N1CC=C(CC1)c1c[nH]c2cc(F)ccc12
COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 Clc1cc(Cl)cc(c1)[*:1] COC(=O)CN(S(=O)(=O)c1ccc(C)cc1)[*:1]
COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1cc(Cl)cc(Cl)c1
COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)[*:1]
COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 COC(=O)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1cc(Cl)cc(Cl)c1)[*:1]
C[C@@H]1CCCC[C@@H]1OCC(=O)NS(=O)(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CCCC[C@@H]1OCC(=O)NS(=O)(=O)N(C)C[*:1]
C[C@@H]1CCCC[C@@H]1OCC(=O)NS(=O)(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1CCCC[C@@H]1OCC(=O)NS(=O)(=O)N(C)[*:1]
CC(C)[C@@](C)(O)CNC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C CC(C)[*:1] C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NC[C@@](C)(O)[*:1]
CC(C)[C@@](C)(O)CNC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C CC(C)[C@@](C)(O)[*:1] C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NC[*:1]
CC(C)[C@@](C)(O)CNC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C CC(C)[C@@](C)(O)C[*:1] C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N[*:1]
Cn1cnnc1S(=O)(=O)[C@H](C(=O)N1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] Cn1cnnc1S(=O)(=O)[C@H](C(=O)N1CCCC1)[*:1]
Cn1cnnc1S(=O)(=O)[C@H](C(=O)N1CCCC1)c1ccccc1 O=C(N1CCCC1)[*:1] Cn1cnnc1S(=O)(=O)[C@H](c1ccccc1)[*:1]
Cn1c(N)c(C(=O)CSc2nnc(C(F)(F)F)n2N)c(=O)n(C)c1=O FC(F)(F)[*:1] Cn1c(N)c(C(=O)CSc2nnc(n2N)[*:1])c(=O)n(C)c1=O
CC(=O)Nc1sc(-c2ccccc2)cc1C(=O)[O-] O=C([O-])[*:1] CC(=O)Nc1sc(cc1[*:1])-c1ccccc1
CC(=O)Nc1sc(-c2ccccc2)cc1C(=O)[O-] c1ccc(cc1)[*:1] CC(=O)Nc1sc(cc1C(=O)[O-])[*:1]
CC(=O)Nc1sc(-c2ccccc2)cc1C(=O)[O-] CC(=O)N[*:1] O=C([O-])c1cc(sc1[*:1])-c1ccccc1
COCCN1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCC(C)CC3)c(C#N)c21 CC1CCN(CC1)[*:1] COCCN1C(=O)Cc2c1nc(N)c1c(N)nc(c(C#N)c21)[*:1]
COCCN1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCC(C)CC3)c(C#N)c21 COCC[*:1] CC1CCN(CC1)c1nc(N)c2c(N)nc3c(CC(=O)N3[*:1])c2c1C#N
COCCN1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCC(C)CC3)c(C#N)c21 COC[*:1] CC1CCN(CC1)c1nc(N)c2c(N)nc3c(CC(=O)N3C[*:1])c2c1C#N
CCCC[C@@H](COC)NC(=O)c1cnc2ccc(C)cn12 CCC[*:1] COC[C@H](C[*:1])NC(=O)c1cnc2ccc(C)cn12
CCCC[C@@H](COC)NC(=O)c1cnc2ccc(C)cn12 CCCC[*:1] COC[C@@H](NC(=O)c1cnc2ccc(C)cn12)[*:1]
CCCC[C@@H](COC)NC(=O)c1cnc2ccc(C)cn12 COC[*:1] CCCC[C@@H](NC(=O)c1cnc2ccc(C)cn12)[*:1]
C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1nc(cs1)[*:1]
C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1nc(C(C)(C)C)cs1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@H](NC(=O)C[*:1])c1nc(cs1)C(C)(C)C
Cc1ccc(CN(C(=O)NCc2cccs2)C(C)C)s1 c1csc(c1)[*:1] Cc1ccc(CN(C(=O)NC[*:1])C(C)C)s1
Cc1ccc(CN(C(=O)NCc2cccs2)C(C)C)s1 c1csc(c1)C[*:1] Cc1ccc(CN(C(=O)N[*:1])C(C)C)s1
Cc1ccc(CN(C(=O)NCc2cccs2)C(C)C)s1 Cc1ccc(s1)[*:1] CC(C)N(C[*:1])C(=O)NCc1cccs1
Cc1ccc(CN(C(=O)NCc2cccs2)C(C)C)s1 CC(C)[*:1] Cc1ccc(CN(C(=O)NCc2cccs2)[*:1])s1
COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)ccc1O O=C([O-])[*:1] COc1cc(ccc1O)[C@@H]1CC(=O)Nc2c(cn(-c3ccccc3)c21)[*:1]
COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)[C@@H]1CC(=O)Nc2c(cn(c21)[*:1])C(=O)[O-]
COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)ccc1O COc1cc(ccc1O)[*:1] O=C1C[C@H](c2c(N1)c(cn2-c1ccccc1)C(=O)[O-])[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CO[C@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCO[C@H]1[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CO[C@H]1CCCC[C@@H]1[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1 c1coc(c1)C[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1[*:1])C(=O)NCc1ccccc1
C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1 c1coc(c1)[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1C[*:1])C(=O)NCc1ccccc1
C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1 c1ccc(cc1)[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1)C(=O)NC[*:1]
C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1 c1ccc(cc1)C[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1)C(=O)N[*:1]
C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1 O=C(NCc1ccccc1)[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1)[*:1]
Cc1cccc(-c2[nH]ncc2CN2CCO[C@H](c3nc(C)cs3)C2)c1 Cc1csc(n1)[*:1] Cc1cccc(c1)-c1[nH]ncc1CN1CCO[C@H](C1)[*:1]
Cc1cccc(-c2[nH]ncc2CN2CCO[C@H](c3nc(C)cs3)C2)c1 Cc1cccc(c1)[*:1] Cc1csc(n1)[C@@H]1CN(CCO1)Cc1cn[nH]c1[*:1]
CCCCS[C@H](C)C(=O)Nc1cccc(N2CCOC2=O)c1C O=C1OCCN1[*:1] CCCCS[C@H](C)C(=O)Nc1cccc(c1C)[*:1]
CCCCS[C@H](C)C(=O)Nc1cccc(N2CCOC2=O)c1C CCCCS[C@H](C)[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)[*:1]
CCCCS[C@H](C)C(=O)Nc1cccc(N2CCOC2=O)c1C CCC[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)[C@@H](C)SC[*:1]
CCCCS[C@H](C)C(=O)Nc1cccc(N2CCOC2=O)c1C CCCC[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)[C@@H](C)S[*:1]
CCCCS[C@H](C)C(=O)Nc1cccc(N2CCOC2=O)c1C CCCCS[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)[C@@H](C)[*:1]
Cc1ccc(F)cc1NCC(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(F)cc1NCC(=O)N[C@@H](C)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1cccc(Cl)c1)c1nc(C#N)c(C#N)nc12 Clc1cccc(c1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C(=O)N[*:1])c1nc(C#N)c(C#N)nc12
FC(F)(F)c1cccc(N2CC[NH+](Cc3nnc(-c4cccc(Br)c4)o3)CC2)c1 FC(F)(F)[*:1] Brc1cccc(c1)-c1nnc(C[NH+]2CCN(CC2)c2cccc(c2)[*:1])o1
FC(F)(F)c1cccc(N2CC[NH+](Cc3nnc(-c4cccc(Br)c4)o3)CC2)c1 Brc1cccc(c1)[*:1] FC(F)(F)c1cccc(c1)N1CC[NH+](CC1)Cc1nnc(o1)[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)[C@@H](O)[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)N[C@H](C)[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 C[C@H](c1ccc(Cl)s1)[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)N[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)c1cn(C)nc1C(C)(C)C c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)c1cn(C)nc1C(C)(C)C
CC[C@@H](Cc1ccccc1)NC(=O)c1cn(C)nc1C(C)(C)C CC(C)(C)[*:1] CC[C@@H](Cc1ccccc1)NC(=O)c1cn(C)nc1[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)c1cn(C)nc1C(C)(C)C c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)c1cn(C)nc1C(C)(C)C)[*:1]
COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 COc1ccc(cc1OC)[*:1] COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1[*:1]
COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 COCCC[*:1] COc1ccc(cc1OC)[C@@H]1c2c(oc3c(C)cc(C)cc3c2=O)C(=O)N1[*:1]
COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 COCC[*:1] COc1ccc(cc1OC)[C@@H]1c2c(oc3c(C)cc(C)cc3c2=O)C(=O)N1C[*:1]
COCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 COC[*:1] COc1ccc(cc1OC)[C@@H]1c2c(oc3c(C)cc(C)cc3c2=O)C(=O)N1CC[*:1]
COCCn1nc(C)c(NC(=O)COC)c1C COC[*:1] COCCn1nc(C)c(NC(=O)[*:1])c1C
COCCn1nc(C)c(NC(=O)COC)c1C COCC[*:1] COCC(=O)Nc1c(C)nn(c1C)[*:1]
COCCn1nc(C)c(NC(=O)COC)c1C COC[*:1] COCC(=O)Nc1c(C)nn(C[*:1])c1C
CC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 CC(=O)c1cccc(c1)[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N(C)CC(=O)N[*:1]
CC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 CC(=O)[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(c1)[*:1]
CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2C(C)(C)C)C12CCC2 CC(C)(C)[*:1] CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2[*:1])C12CCC2
CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2C(C)(C)C)C12CCC2 CCO[*:1] Cn1cc(C[NH2+][C@H]2C[C@H](C23CCC3)[*:1])c(n1)C(C)(C)C
COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 c1ccc(cc1)C[*:1] COc1ccc(OC)c(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 COc1ccc(OC)c(c1)[*:1] O=C1C[C@H](CN1[*:1])c1nc2ccccc2n1Cc1ccccc1
COc1ccc(N2C(=O)CS[C@@]23C(=O)N(Cc2c(F)cccc2Cl)c2ccccc23)cc1 COc1ccc(cc1)[*:1] O=C1CS[C@@]2(C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)N1[*:1]
COc1ccc(N2C(=O)CS[C@@]23C(=O)N(Cc2c(F)cccc2Cl)c2ccccc23)cc1 Fc1cccc(Cl)c1[*:1] COc1ccc(cc1)N1C(=O)CS[C@@]12C(=O)N(C[*:1])c1ccccc12
COc1ccc(N2C(=O)CS[C@@]23C(=O)N(Cc2c(F)cccc2Cl)c2ccccc23)cc1 Fc1cccc(Cl)c1C[*:1] COc1ccc(cc1)N1C(=O)CS[C@@]12C(=O)N(c1ccccc12)[*:1]
Cn1cc(C(=O)Nc2cc(-c3nncn3C)ccn2)c(C(C)(C)C)n1 Cn1cnnc1[*:1] Cn1cc(C(=O)Nc2cc(ccn2)[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2cc(-c3nncn3C)ccn2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2cc(ccn2)-c2nncn2C)c(n1)[*:1]
Cc1c(C(=O)Nc2ccc(-n3ccnc3C)nc2)oc2ccc(Br)cc12 Cc1nccn1[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)Nc1ccc(nc1)[*:1]
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H]1Cc3ccccc31)CC2 c1csc(c1)[*:1] COc1cc2CCN(C(=O)[C@H]3Cc4ccccc43)[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H]1Cc3ccccc31)CC2 c1ccc2c(c1)C[C@@H]2[*:1] COc1cc2CCN(C(=O)[*:1])[C@@H](c3cccs3)c2cc1OC
O=C(Cl)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Cl)c1ccc(cc1)[*:1]
O=C(Cl)c1ccc([N+](=O)[O-])cc1 O=C(Cl)[*:1] O=[N+]([O-])c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CCC2CC2)cc1S(C)(=O)=O C1CC1CC[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)[*:1]
Cc1ccc(NC(=O)CCC2CC2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)CCC1CC1
Cc1ccc(NC(=O)CCC2CC2)cc1S(C)(=O)=O C1CC1C[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)C[*:1]
Cc1ccc(NC(=O)CCC2CC2)cc1S(C)(=O)=O C1CC1[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)CC[*:1]
O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 O=C([O-])[*:1] O=c1[nH]c2ccc(cc2[nH]c1=O)S(=O)(=O)N1CCC[C@H]1[*:1]
CC1CCN(c2nc3c(=O)[nH]cnc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1 CC1CCN(CC1)[*:1] O=c1[nH]cnc2c1nc(n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)[*:1]
CCCN(CC#N)Cc1ccc(O)cc1 CCC[*:1] N#CCN(Cc1ccc(O)cc1)[*:1]
CCCN(CC#N)Cc1ccc(O)cc1 N#CC[*:1] CCCN(Cc1ccc(O)cc1)[*:1]
C[C@H](NC(=O)N(C)CC(=O)N1CCOCC1)c1cccc2ccccc12 O=C(N1CCOCC1)[*:1] C[C@H](NC(=O)N(C)C[*:1])c1cccc2ccccc12
O=C1CCCCN1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 C1CN(CCO1)[*:1] O=C1CCCCN1CN1CCN(CC1)c1cc(ncn1)[*:1]
O=C1CCCCN1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 O=C1CCCCN1C[*:1] c1nc(cc(n1)N1CCN(CC1)[*:1])N1CCOCC1
O=C1CCCCN1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 O=C1CCCCN1[*:1] c1nc(cc(n1)N1CCN(CC1)C[*:1])N1CCOCC1
COC(=O)c1ccc(C(=O)NCc2nnc3n2CCC3)s1 COC(=O)[*:1] O=C(NCc1nnc2CCCn21)c1ccc(s1)[*:1]
O=C(NCc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1)Nc1ccccc1O Oc1ccccc1[*:1] O=C(NCc1ccc(cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)N[*:1]
CCOC(=O)[C@]1(N)CCC[C@H]1CCN1C[C@H](C)OC[C@@H]1C CCOC(=O)[*:1] C[C@H]1CN(CC[C@@H]2CCC[C@]2(N)[*:1])[C@@H](C)CO1
O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=c1c2cc(ccc2[nH]c(=S)n1C[*:1])N1CCOCC1
O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1Cc1ccc2c(c1)OCO2 C1CN(CCO1)[*:1] O=c1c2cc(ccc2[nH]c(=S)n1Cc1ccc2OCOc2c1)[*:1]
COC(=O)c1ccccc1CN1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] COC(=O)c1ccccc1CN1CCO[C@H](C1)[*:1]
COC(=O)c1ccccc1CN1CCO[C@H](c2ccccc2F)C1 COC(=O)[*:1] Fc1ccccc1[C@@H]1CN(CCO1)Cc1ccccc1[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 O=C(N1CCCC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)[C@@H]1C[C@H]1C)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 C[C@@H]1C[C@H]1[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)[*:1]
CC(=O)c1ccc(Oc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)Oc1cc(nc(n1)[*:1])-n1cccn1
CC(=O)c1ccc(Oc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1 CC(=O)[*:1] c1ccc(cc1)-c1nc(cc(n1)-n1cccn1)Oc1ccc(cc1)[*:1]
CC(=O)c1ccc(Oc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1 CC(=O)c1ccc(cc1)[*:1] c1ccc(cc1)-c1nc(cc(n1)-n1cccn1)O[*:1]
CC(=O)c1ccc(Oc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1 c1cnn(c1)[*:1] CC(=O)c1ccc(cc1)Oc1cc(nc(n1)-c1ccccc1)[*:1]
Cc1c(NC(=O)N2C[C@H]3CCCC[C@H]3C2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)N2C[C@H]3CCCC[C@H]3C2)c(=O)n(n1C)[*:1]
Cc1csc(N2CCC([NH2+]Cc3cccc(OCC(F)F)n3)CC2)n1 FC(F)[*:1] Cc1csc(n1)N1CCC(CC1)[NH2+]Cc1cccc(n1)OC[*:1]
Cc1csc(N2CCC([NH2+]Cc3cccc(OCC(F)F)n3)CC2)n1 Cc1csc(n1)[*:1] FC(F)COc1cccc(C[NH2+]C2CCN(CC2)[*:1])n1
Cc1csc(N2CCC([NH2+]Cc3cccc(OCC(F)F)n3)CC2)n1 FC(F)C[*:1] Cc1csc(n1)N1CCC(CC1)[NH2+]Cc1cccc(n1)O[*:1]
Cc1csc(N2CCC([NH2+]Cc3cccc(OCC(F)F)n3)CC2)n1 FC(F)CO[*:1] Cc1csc(n1)N1CCC(CC1)[NH2+]Cc1cccc(n1)[*:1]
C[C@@H](NC(=O)N[C@H]1CCC[C@H](C2CC2)C1)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@@H](NC(=O)N[C@H]1CCC[C@@H](C1)C1CC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)N[C@H]1CCC[C@H](C2CC2)C1)c1ccc(-c2cncnc2)cc1 C1CC1[*:1] C[C@@H](NC(=O)N[C@H]1CCC[C@H](C1)[*:1])c1ccc(cc1)-c1cncnc1
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1ccc2c(c1)CCCC2 CCS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)C(=O)Cc1ccc2CCCCc2c1
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1ccc2c(c1)CCCC2 CCS(=O)(=O)C[*:1] C[C@@H](N(C)C(=O)Cc1ccc2CCCCc2c1)[*:1]
C[C@H](CCCO)NC(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)(C)[*:1] C[C@H](CCCO)NC(=O)c1nc(n[nH]1)[*:1]
C[C@H](CCCO)NC(=O)c1nc(C(C)(C)C)n[nH]1 C[C@H](CCCO)[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)N[*:1]
C[C@H](CCCO)NC(=O)c1nc(C(C)(C)C)n[nH]1 OCC[*:1] C[C@H](C[*:1])NC(=O)c1nc(n[nH]1)C(C)(C)C
C[C@H](CCCO)NC(=O)c1nc(C(C)(C)C)n[nH]1 OCCC[*:1] C[C@H](NC(=O)c1nc(n[nH]1)C(C)(C)C)[*:1]
COc1ccc(C[NH2+]CC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 CC(=O)N(C)[*:1] COc1ccc(cc1)C[NH2+]CC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C[NH2+]CC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 COc1ccc(cc1)[*:1] CC(=O)N(C)c1ccc(cc1)NC(=O)C[NH2+]C[*:1]
COc1cccc([C@@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 Oc1ccc(Cl)cc1[*:1] COc1cccc(c1)[C@@H]1c2c(n[nH]c2C(=O)N1Cc1cccnc1)[*:1]
COc1cccc([C@@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 c1cncc(c1)[*:1] COc1cccc(c1)[C@@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1cc(Cl)ccc1O
COc1cccc([C@@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 c1cncc(c1)C[*:1] COc1cccc(c1)[C@@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1cc(Cl)ccc1O
COc1cccc([C@@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 COc1cccc(c1)[*:1] O=C1c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H](N1Cc1cccnc1)[*:1]
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2ccc[nH]2)n1 c1c[nH]c(c1)[*:1] Cc1cc(c(C#N)c(n1)SCC(=O)[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2ccc[nH]2)n1 FC(F)(F)[*:1] Cc1cc(c(C#N)c(n1)SCC(=O)c1ccc[nH]1)[*:1]
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2ccc[nH]2)n1 O=C(c1ccc[nH]1)[*:1] Cc1cc(c(C#N)c(n1)SC[*:1])C(F)(F)F
[NH3+][C@H](CCC(=O)[O-])Cc1c[nH]c2ccccc12 O=C([O-])[*:1] [NH3+][C@H](CC[*:1])Cc1c[nH]c2ccccc12
[NH3+][C@H](CCC(=O)[O-])Cc1c[nH]c2ccccc12 O=C([O-])C[*:1] [NH3+][C@@H](Cc1c[nH]c2ccccc12)C[*:1]
CCNC(=O)c1c(NC(=O)c2cc(-c3ccccc3O)[nH]n2)sc2c1CCCC2 CCNC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])c1cc([nH]n1)-c1ccccc1O
CCNC(=O)c1c(NC(=O)c2cc(-c3ccccc3O)[nH]n2)sc2c1CCCC2 Oc1ccccc1[*:1] CCNC(=O)c1c(NC(=O)c2cc([nH]n2)[*:1])sc2CCCCc21
COc1cc(OC)c([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1OC c1ccc(cc1)[*:1] COc1cc(OC)c(cc1OC)[C@H]1CC(=O)Nc2c(cn(c21)[*:1])C(=O)[O-]
COc1cc(OC)c([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1OC O=C([O-])[*:1] COc1cc(OC)c(cc1OC)[C@H]1CC(=O)Nc2c(cn(-c3ccccc3)c21)[*:1]
CSc1nc2sc3c(c2c2nnc(SCc4ccccc4)n12)CCN(C)C3 c1ccc(cc1)[*:1] CSc1nc2sc3CN(C)CCc3c2c2nnc(SC[*:1])n12
CSc1nc2sc3c(c2c2nnc(SCc4ccccc4)n12)CCN(C)C3 c1ccc(cc1)CS[*:1] CSc1nc2sc3CN(C)CCc3c2c2nnc(n12)[*:1]
CSc1nc2sc3c(c2c2nnc(SCc4ccccc4)n12)CCN(C)C3 c1ccc(cc1)C[*:1] CSc1nc2sc3CN(C)CCc3c2c2nnc(S[*:1])n12
Cc1c(C(=O)Nc2ccc(COc3ccccc3)cc2)cnn1C(C)C c1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccc(cc1)CO[*:1]
Cc1c(C(=O)Nc2ccc(COc3ccccc3)cc2)cnn1C(C)C c1ccc(cc1)O[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccc(cc1)C[*:1]
Cc1c(C(=O)Nc2ccc(COc3ccccc3)cc2)cnn1C(C)C c1ccc(cc1)OC[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccc(cc1)[*:1]
Cc1c(C(=O)Nc2ccc(COc3ccccc3)cc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc(cc1)COc1ccccc1
NC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2cc(F)cc(Cl)c2O)C1 NC(=O)[*:1] O=C(OCC(=O)N1CCC[C@H](C1)[*:1])c1cc(F)cc(Cl)c1O
CN(CCOCC1CC1)C(=O)[C@H]1CCCC[NH2+]1 C1CC1C[*:1] CN(CCO[*:1])C(=O)[C@H]1CCCC[NH2+]1
CN(CCOCC1CC1)C(=O)[C@H]1CCCC[NH2+]1 C1CC1CO[*:1] CN(CC[*:1])C(=O)[C@H]1CCCC[NH2+]1
CN(CCOCC1CC1)C(=O)[C@H]1CCCC[NH2+]1 C1CC1[*:1] CN(CCOC[*:1])C(=O)[C@H]1CCCC[NH2+]1
C[C@@H](NC(=O)CCC(=O)c1cccs1)c1cccc(C(F)(F)F)c1 O=C(C[*:1])c1cccs1 C[C@@H](NC(=O)C[*:1])c1cccc(c1)C(F)(F)F
C[C@@H](NC(=O)CCC(=O)c1cccs1)c1cccc(C(F)(F)F)c1 c1csc(c1)[*:1] C[C@@H](NC(=O)CCC(=O)[*:1])c1cccc(c1)C(F)(F)F
C[C@@H](NC(=O)CCC(=O)c1cccs1)c1cccc(C(F)(F)F)c1 O=C(c1cccs1)[*:1] C[C@@H](NC(=O)CC[*:1])c1cccc(c1)C(F)(F)F
C[C@@H](NC(=O)CCC(=O)c1cccs1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](NC(=O)CCC(=O)c1cccs1)c1cccc(c1)[*:1]
Cc1ccccc1C[C@@H](C)[NH2+]CC/N=C(\O)c1ncccc1O Oc1cccnc1[*:1] Cc1ccccc1C[C@@H](C)[NH2+]CC/N=C(\O)[*:1]
Cc1ccccc1C[C@@H](C)[NH2+]CC/N=C(\O)c1ncccc1O Cc1ccccc1[*:1] C[C@H](C[*:1])[NH2+]CC/N=C(\O)c1ncccc1O
COc1cccc(C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)c1 COc1cccc(c1)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)[*:1])c1ccsc1
COc1cccc(C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)c1 c1cc(cs1)[*:1] COc1cccc(c1)C(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1]
CCCCN(C)c1nc(S(=O)(=O)c2ccccc2)c(Cl)s1 c1ccc(cc1)[*:1] CCCCN(C)c1nc(c(Cl)s1)S(=O)(=O)[*:1]
CCCCN(C)c1nc(S(=O)(=O)c2ccccc2)c(Cl)s1 CCC[*:1] CN(C[*:1])c1nc(c(Cl)s1)S(=O)(=O)c1ccccc1
CCCCN(C)c1nc(S(=O)(=O)c2ccccc2)c(Cl)s1 CCCC[*:1] CN(c1nc(c(Cl)s1)S(=O)(=O)c1ccccc1)[*:1]
CCCCN(C)c1nc(S(=O)(=O)c2ccccc2)c(Cl)s1 CCCCN(C)[*:1] O=S(=O)(c1ccccc1)c1nc(sc1Cl)[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)[C@H]2CN(C)CCO2)c1 Cc1cccc(c1)[*:1] C[C@H](CO[*:1])NC(=O)[C@H]1CN(C)CCO1
Cc1cccc(OC[C@@H](C)NC(=O)[C@H]2CN(C)CCO2)c1 CN1CCO[C@H](C1)[*:1] Cc1cccc(c1)OC[C@@H](C)NC(=O)[*:1]
Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)s1 Cc1ccc(s1)[*:1] O=C1N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2[C@@]1(O)CC(=O)[*:1]
Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)s1 Cc1ccc(s1)C(=O)C[*:1] O=C1N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2[C@]1(O)[*:1]
Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)s1 Clc1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)C[C@@]1(O)C(=O)N(C[*:1])c2ccc(Cl)cc21
Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)s1 Cc1ccc(s1)C(=O)[*:1] O=C1N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2[C@@]1(O)C[*:1]
Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)s1 Clc1ccc(cc1)C[*:1] Cc1ccc(s1)C(=O)C[C@@]1(O)C(=O)N(c2ccc(Cl)cc21)[*:1]
CC(C)n1nccc1C(=O)Nc1nnc(-c2cc(Cl)sc2Cl)o1 CC(C)[*:1] O=C(Nc1nnc(o1)-c1cc(Cl)sc1Cl)c1ccnn1[*:1]
CC(C)n1nccc1C(=O)Nc1nnc(-c2cc(Cl)sc2Cl)o1 Clc1cc(c(Cl)s1)[*:1] CC(C)n1nccc1C(=O)Nc1nnc(o1)[*:1]
O=C(NCCO)c1sc2ccccc2c1Cl OCC[*:1] O=C(N[*:1])c1sc2ccccc2c1Cl
O=C(COc1ccccc1)NC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 c1ccc(cc1)OC[*:1] O=C(NC1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1)[*:1]
O=C(COc1ccccc1)NC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])NC1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1
O=C(COc1ccccc1)NC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])NC1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1
O=C(COc1ccccc1)NC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 Fc1ccc(cc1)[*:1] O=C(COc1ccccc1)NC1CCN(CC1)c1nc(cs1)[*:1]
CC(=O)N1CCN(c2nc(C3CC3)ns2)CC1 C1CC1[*:1] CC(=O)N1CCN(CC1)c1nc(ns1)[*:1]
CC[C@H](C)CN(CC)C(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C CC[C@H](C)[*:1] CCN(C[*:1])C(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C
CC[C@H](C)CN(CC)C(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C CC[C@H](C)C[*:1] CCN(C(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C)[*:1]
CC(C)CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3Cc2ccccc2)n(C)c1=O CC(C)[*:1] C[C@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(CC[*:1])c(=O)n3C)n2C1
CC(C)CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3Cc2ccccc2)n(C)c1=O CC(C)C[*:1] C[C@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(C[*:1])c(=O)n3C)n2C1
CC(C)CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3Cc2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] CC(C)CCn1c(=O)c2c(nc3N(C[C@H](C)Cn32)C[*:1])n(C)c1=O
CC(C)CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3Cc2ccccc2)n(C)c1=O c1ccc(cc1)C[*:1] CC(C)CCn1c(=O)c2c(nc3N(C[C@H](C)Cn32)[*:1])n(C)c1=O
CC(C)CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3Cc2ccccc2)n(C)c1=O CC(C)CC[*:1] C[C@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(c(=O)n3C)[*:1])n2C1
COC(=O)c1cc(F)c(C)c(NC(=O)c2cc(C)cc(F)c2)c1 COC(=O)[*:1] Cc1cc(F)cc(c1)C(=O)Nc1cc(cc(F)c1C)[*:1]
O=C([O-])c1ccccc1N[C@H]1SC(=O)N(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] O=C([O-])c1ccccc1N[C@H]1SC(=O)N(C1=O)[*:1]
O=C([O-])c1ccccc1N[C@H]1SC(=O)N(Cc2ccccc2)C1=O O=C([O-])[*:1] O=C1S[C@H](Nc2ccccc2[*:1])C(=O)N1Cc1ccccc1
O=C([O-])c1ccccc1N[C@H]1SC(=O)N(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] O=C([O-])c1ccccc1N[C@H]1SC(=O)N(C[*:1])C1=O
CCCOc1ccccc1NC(=O)N[C@@H]1CCCc2c1cnn2C CCCO[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)Nc1ccccc1[*:1]
CCCOc1ccccc1NC(=O)N[C@@H]1CCCc2c1cnn2C CCC[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)Nc1ccccc1O[*:1]
N=C(/N=C(\[O-])CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] N=C(/N=C(\[O-])CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N[*:1]
CC(C)(C)c1nc([C@H]2NC(=O)[C@@H]3COCCN32)cs1 CC(C)(C)[*:1] O=C1N[C@H](c2csc(n2)[*:1])N2CCOC[C@@H]12
COC(=O)C(=O)c1cn(C(=O)OC(C)(C)C)c2ccsc12 CC(C)(C)[*:1] COC(=O)C(=O)c1cn(C(=O)O[*:1])c2ccsc12
COC(=O)C(=O)c1cn(C(=O)OC(C)(C)C)c2ccsc12 COC(=O)C(=O)[*:1] CC(C)(C)OC(=O)n1cc(c2sccc21)[*:1]
C[NH+](CC(=O)Nc1ccccc1Cl)Cc1ncc(-c2ccccc2)o1 Clc1ccccc1[*:1] C[NH+](CC(=O)N[*:1])Cc1ncc(o1)-c1ccccc1
C[NH+](CC(=O)Nc1ccccc1Cl)Cc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1ccccc1Cl)Cc1ncc(o1)[*:1]
CC(C)(F)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] CC(C)(F)C(=O)N1CCN(CC1)[C@@H](C#N)[*:1]
CC(C)(F)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 CC(C)(F)[*:1] N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC1)C(=O)[*:1]
O=C(NCc1ccccn1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 c1ccc(C[*:1])nc1 O=C(Nc1ccc(cc1)-c1nc2ccccc2s1)C(=O)N[*:1]
O=C(NCc1ccccn1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 c1ccc(nc1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)-c1nc2ccccc2s1
O=C(NCc1ccccn1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] O=C(NCc1ccccn1)C(=O)Nc1ccc(cc1)[*:1]
O=S(=O)(N1CCOCC1)N1CCC[C@H]1[C@@H]1CCCC[C@@H]1O O[C@H]1CCCC[C@H]1[*:1] O=S(=O)(N1CCOCC1)N1CCC[C@@H]1[*:1]
Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H]1C[C@H]1C c1coc(c1)[*:1] Cc1oc(nc1CC(=O)N[C@@H]1C[C@H]1C)[*:1]
O=C(Nc1nc(-c2nc3ccccc3s2)cs1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1nc2ccccc2s1)[C@H]1CCCN1S(=O)(=O)[*:1]
O=C(Nc1nc(-c2nc3ccccc3s2)cs1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 c1ccc2sc(nc2c1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)nc1C Cc1ccc(cc1)[*:1] CCOC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccc(Cl)c1
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)nc1C Cc1ccc(cc1)C(=O)[*:1] CCOC(=O)c1sc(nc1C)N1C(=O)C([O-])=C([C@@H]1c1cccc(Cl)c1)[*:1]
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)nc1C CCOC(=O)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2nc(C)c(s2)[*:1])[C@H]1c1cccc(Cl)c1
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)nc1C Clc1cccc(c1)[*:1] CCOC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@H]1[*:1]
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)nc1C CCOC(=O)c1sc(nc1C)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(Cl)c1)[*:1]
CCC(=O)Nc1ccc(OC(C)C)c(Cl)c1 CCC(=O)N[*:1] CC(C)Oc1ccc(cc1Cl)[*:1]
CCC(=O)Nc1ccc(OC(C)C)c(Cl)c1 CC(C)[*:1] CCC(=O)Nc1ccc(O[*:1])c(Cl)c1
CCC(=O)Nc1ccc(OC(C)C)c(Cl)c1 CC(C)O[*:1] CCC(=O)Nc1ccc(c(Cl)c1)[*:1]
O=C(Nc1cccc(Cl)c1)c1ccc(CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc1 Clc1cccc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21
O=C(Nc1cccc(Cl)c1)c1ccc(CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc1 O=C(Nc1cccc(Cl)c1)[*:1] O=C1[C@@H]2CCCN2C(=O)c2ccccc2N1Cc1ccc(cc1)[*:1]
NC(=O)[C@H]1CC(C(=O)N2CCN(CCc3ccccc3)CC2)=NN1c1ccccc1 c1ccc(cc1)CC[*:1] NC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)N1CCN(CC1)[*:1]
NC(=O)[C@H]1CC(C(=O)N2CCN(CCc3ccccc3)CC2)=NN1c1ccccc1 NC(=O)[*:1] O=C(C1C[C@@H](N(N=1)c1ccccc1)[*:1])N1CCN(CCc2ccccc2)CC1
NC(=O)[C@H]1CC(C(=O)N2CCN(CCc3ccccc3)CC2)=NN1c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)N1CCN(CC1)CC[*:1]
NC(=O)[C@H]1CC(C(=O)N2CCN(CCc3ccccc3)CC2)=NN1c1ccccc1 c1ccc(cc1)C[*:1] NC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)N1CCN(CC1)C[*:1]
NC(=O)[C@H]1CC(C(=O)N2CCN(CCc3ccccc3)CC2)=NN1c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CC(=NN1[*:1])C(=O)N1CCN(CCc2ccccc2)CC1
COc1ccccc1CNC(=O)C[S@](=O)Cc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 COc1ccccc1CNC(=O)C[S@](=O)[*:1]
COc1ccccc1CNC(=O)C[S@](=O)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] COc1ccccc1CNC(=O)C[S@](=O)C[*:1]
COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)C2CC[NH+](C)CC2)cc1F COc1ccc(cc1F)[*:1] Cc1ccccc1-n1cc(CN(C)C2CC[NH+](C)CC2)c(n1)[*:1]
COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)C2CC[NH+](C)CC2)cc1F Cc1ccccc1[*:1] COc1ccc(cc1F)-c1nn(cc1CN(C)C1CC[NH+](C)CC1)[*:1]
COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)C1CCN(CC1)C(=O)[*:1]
COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 COC(=O)c1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] COC(=O)c1ccccc1NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(OCC(=O)NCC2CCCCC2)c(Br)c1 C1CCC(CC1)[*:1] COC(=O)c1ccc(OCC(=O)NC[*:1])c(Br)c1
COC(=O)c1ccc(OCC(=O)NCC2CCCCC2)c(Br)c1 COC(=O)[*:1] O=C(COc1ccc(cc1Br)[*:1])NCC1CCCCC1
COC(=O)c1ccc(OCC(=O)NCC2CCCCC2)c(Br)c1 C1CCC(CC1)C[*:1] COC(=O)c1ccc(OCC(=O)N[*:1])c(Br)c1
C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)S1 O=[N+]([O-])[*:1] C[C@H]1CN(Cc2ccc(cc2[*:1])C(N)=O)C[C@@H](C)S1
C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)S1 NC(=O)[*:1] C[C@H]1CN(Cc2ccc(cc2[N+](=O)[O-])[*:1])C[C@@H](C)S1
C[C@@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)NC(=O)CO2 c1cnn(c1)[*:1] C[C@@H](NC(=O)NCCC[*:1])c1ccc2OCC(=O)Nc2c1
C[C@@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)NC(=O)CO2 c1cnn(c1)C[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccc2OCC(=O)Nc2c1
C[C@@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)NC(=O)CO2 c1cnn(c1)CCC[*:1] C[C@@H](NC(=O)N[*:1])c1ccc2OCC(=O)Nc2c1
C[C@@H](NC(=O)NCCCn1cccn1)c1ccc2c(c1)NC(=O)CO2 c1cnn(c1)CC[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc2OCC(=O)Nc2c1
CCCCC[NH2+][C@@H](C)c1ccc(N)c(F)c1 CCC[*:1] C[C@H]([NH2+]CC[*:1])c1ccc(N)c(F)c1
CCCCC[NH2+][C@@H](C)c1ccc(N)c(F)c1 CCCC[*:1] C[C@H]([NH2+]C[*:1])c1ccc(N)c(F)c1
CCCCC[NH2+][C@@H](C)c1ccc(N)c(F)c1 CCCCC[*:1] C[C@H]([NH2+][*:1])c1ccc(N)c(F)c1
CC(C)[C@H](Sc1nccn1Cc1ccccn1)C(=O)N1CCN(c2ncccn2)CC1 c1ccc(nc1)[*:1] CC(C)[C@H](Sc1nccn1C[*:1])C(=O)N1CCN(CC1)c1ncccn1
CC(C)[C@H](Sc1nccn1Cc1ccccn1)C(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CC(C)[C@H](Sc1nccn1Cc1ccccn1)C(=O)N1CCN(CC1)[*:1]
CC(C)[C@H](Sc1nccn1Cc1ccccn1)C(=O)N1CCN(c2ncccn2)CC1 c1ccc(C[*:1])nc1 CC(C)[C@H](Sc1nccn1[*:1])C(=O)N1CCN(CC1)c1ncccn1
CC(C)[C@H](Sc1nccn1Cc1ccccn1)C(=O)N1CCN(c2ncccn2)CC1 CC(C)[*:1] O=C([C@@H](Sc1nccn1Cc1ccccn1)[*:1])N1CCN(CC1)c1ncccn1
CCCN1CCO[C@@H](C(=O)Cc2cc(Cl)ccc2Cl)C1 CCC[*:1] O=C(Cc1cc(Cl)ccc1Cl)[C@H]1CN(CCO1)[*:1]
CC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 CC(=O)[*:1] CC1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
O=C(Nc1cncc2ccccc12)[C@@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cncc2ccccc12)[C@@H]1C[C@@H]1[*:1]
Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC(C)C)c(Br)c1 CC(C)NC(=O)CS[*:1] Cc1ccc(NC(=O)c2ccccc2[*:1])c(Br)c1
Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC(C)C)c(Br)c1 CC(C)[*:1] Cc1ccc(NC(=O)c2ccccc2SCC(=O)N[*:1])c(Br)c1
Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC(C)C)c(Br)c1 CC(C)NC(=O)[*:1] Cc1ccc(NC(=O)c2ccccc2SC[*:1])c(Br)c1
Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC(C)C)c(Br)c1 CC(C)NC(=O)C[*:1] Cc1ccc(NC(=O)c2ccccc2S[*:1])c(Br)c1
Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC(C)C)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] CC(C)NC(=O)CSc1ccccc1C(=O)N[*:1]
CCCc1cc(NC(=O)Cc2csc(Cc3ccccc3)n2)n(C)n1 c1ccc(cc1)C[*:1] CCCc1cc(NC(=O)Cc2csc(n2)[*:1])n(C)n1
CCCc1cc(NC(=O)Cc2csc(Cc3ccccc3)n2)n(C)n1 c1ccc(cc1)[*:1] CCCc1cc(NC(=O)Cc2csc(C[*:1])n2)n(C)n1
CCCc1cc(NC(=O)Cc2csc(Cc3ccccc3)n2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)Cc1csc(Cc2ccccc2)n1)[*:1]
O=C(C[NH+](C1CCCC1)C1CC1)Nc1ccnn1C1CCCC1 C1CCC(C1)[*:1] O=C(C[NH+](C1CC1)[*:1])Nc1ccnn1C1CCCC1
O=C(C[NH+](C1CCCC1)C1CC1)Nc1ccnn1C1CCCC1 C1CC1[*:1] O=C(C[NH+](C1CCCC1)[*:1])Nc1ccnn1C1CCCC1
O=C(C[NH+](C1CCCC1)C1CC1)Nc1ccnn1C1CCCC1 C1CCC(C1)[*:1] O=C(C[NH+](C1CCCC1)C1CC1)Nc1ccnn1[*:1]
CONC(=O)N[C@@H](C)c1oc2ccccc2c1C CONC(=O)N[*:1] Cc1c(oc2ccccc12)[C@H](C)[*:1]
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)c2cccc3ccccc23)[nH]c1=O c1ccc2c(cccc2c1)[*:1] CCc1c(C)nc([nH]c1=O)-n1nc(cc1NC(=O)[*:1])-c1cccs1
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)c2cccc3ccccc23)[nH]c1=O c1csc(c1)[*:1] CCc1c(C)nc([nH]c1=O)-n1nc(cc1NC(=O)c1cccc2ccccc12)[*:1]
CC[NH+]1CCN(CCCl)CC1 ClCC[*:1] CC[NH+]1CCN(CC1)[*:1]
NC(=O)[C@H]1CC(C(=O)Nc2ccnc3ccnn23)=NN1c1ccccc1 NC(=O)[*:1] O=C(Nc1ccnc2ccnn12)C1C[C@@H](N(N=1)c1ccccc1)[*:1]
NC(=O)[C@H]1CC(C(=O)Nc2ccnc3ccnn23)=NN1c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CC(=NN1[*:1])C(=O)Nc1ccnc2ccnn12
COc1ccc(C)cc1CCNC(=O)NNc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(C)cc1CCNC(=O)NN[*:1]
Cc1cc(OCC[NH+]2CCNC(=O)CC2)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCC[NH+]1CCNC(=O)CC1
CCOC(=O)c1csc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)n1 CCOC(=O)[*:1] C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2nc(cs2)[*:1])o1
COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@@H]1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C)o1 Cc1ccc(C)c(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(C)o1
COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C)o1 COC[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(C)o1
COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C)o1 COCC[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(C)o1)[*:1]
CCCCSCc1cc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)oc1C CCC[*:1] Cc1oc(cc1CSC[*:1])C(=O)N1CC[C@@]2(CCCN(C)C2=O)C1
CCCCSCc1cc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)oc1C CCCCS[*:1] Cc1oc(cc1C[*:1])C(=O)N1CC[C@@]2(CCCN(C)C2=O)C1
CCCCSCc1cc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)oc1C CCCC[*:1] Cc1oc(cc1CS[*:1])C(=O)N1CC[C@@]2(CCCN(C)C2=O)C1
CCCCSCc1cc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)oc1C CCCCSC[*:1] Cc1oc(cc1[*:1])C(=O)N1CC[C@@]2(CCCN(C)C2=O)C1
CC1(CNC(=O)c2ccccn2)Cc2ccccc2C1 c1ccc(nc1)[*:1] CC1(CNC(=O)[*:1])Cc2ccccc2C1
CC(C)SSC(=O)N1CCC[C@@H]1C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H]1CCCN1C(=O)SS[*:1]
CC(C)SSC(=O)N1CCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)SSC(=O)N1CCC[C@H]1[*:1]
CC(C)N(Cc1nccn1C)C(=O)c1cn(C2CCCCC2)nn1 Cn1ccnc1C[*:1] CC(C)N(C(=O)c1cn(nn1)C1CCCCC1)[*:1]
CC(C)N(Cc1nccn1C)C(=O)c1cn(C2CCCCC2)nn1 CC(C)[*:1] Cn1ccnc1CN(C(=O)c1cn(nn1)C1CCCCC1)[*:1]
CC(C)N(Cc1nccn1C)C(=O)c1cn(C2CCCCC2)nn1 Cn1ccnc1[*:1] CC(C)N(C[*:1])C(=O)c1cn(nn1)C1CCCCC1
CC(C)N(Cc1nccn1C)C(=O)c1cn(C2CCCCC2)nn1 C1CCC(CC1)[*:1] CC(C)N(Cc1nccn1C)C(=O)c1cn(nn1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 C1C[C@@H](CO1)C[*:1] CCN(C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)[*:1]
Cc1cc(=O)c(C(=O)Nc2ccc(Oc3ncccn3)cc2)nn1-c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)Nc1ccc(cc1)Oc1ncccn1
Cc1cc(=O)c(C(=O)Nc2ccc(Oc3ncccn3)cc2)nn1-c1cccc(C(F)(F)F)c1 c1cnc(nc1)O[*:1] Cc1cc(=O)c(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(=O)c(C(=O)Nc2ccc(Oc3ncccn3)cc2)nn1-c1cccc(C(F)(F)F)c1 c1cnc(nc1)[*:1] Cc1cc(=O)c(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)O[*:1]
Cc1cc(=O)c(C(=O)Nc2ccc(Oc3ncccn3)cc2)nn1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(=O)c(nn1-c1cccc(c1)[*:1])C(=O)Nc1ccc(cc1)Oc1ncccn1
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccsc2)c1 c1cc(cs1)[*:1] Cc1cc(C)cc(c1)OCC(=O)NNC(=O)[*:1]
C[C@H]([NH2+]C[C@@H]1CCc2nncn2C1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H]([NH2+]C[C@@H]1CCc2nncn2C1)c1ccc(cc1)O[*:1]
C[C@H]([NH2+]C[C@@H]1CCc2nncn2C1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@H]([NH2+]C[C@@H]1CCc2nncn2C1)c1ccc(cc1)[*:1]
CCOc1cccc2sc(N(Cc3ccccc3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)nc12 c1ccc(cc1)[*:1] CCOc1cccc2sc(nc12)N(C[*:1])C(=O)[C@H]1CCCCN1S(C)(=O)=O
CCOc1cccc2sc(N(Cc3ccccc3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)nc12 c1ccc(cc1)C[*:1] CCOc1cccc2sc(nc12)N(C(=O)[C@H]1CCCCN1S(C)(=O)=O)[*:1]
CCOc1cccc2sc(N(Cc3ccccc3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)nc12 CCO[*:1] CS(=O)(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccccc1)c1nc2c(cccc2s1)[*:1]
C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)CC1CCC1 C1CC(C1)C[*:1] C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)[*:1]
C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)CC1CCC1 C1CC(C1)[*:1] C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)C[*:1]
CC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)CC1 Clc1ccc(c(Cl)c1)[*:1] CC1CCN(CC1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1ccc(-n2ncc(C(=O)NCCc3ccc(Cl)cc3)c2-n2cccc2)cc1 c1ccn(c1)[*:1] Cc1ccc(cc1)-n1ncc(C(=O)NCCc2ccc(Cl)cc2)c1[*:1]
Cc1ccc(-n2ncc(C(=O)NCCc3ccc(Cl)cc3)c2-n2cccc2)cc1 Clc1ccc(cc1)CC[*:1] Cc1ccc(cc1)-n1ncc(C(=O)N[*:1])c1-n1cccc1
Cc1ccc(-n2ncc(C(=O)NCCc3ccc(Cl)cc3)c2-n2cccc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1ncc(C(=O)NCC[*:1])c1-n1cccc1
Cc1ccc(-n2ncc(C(=O)NCCc3ccc(Cl)cc3)c2-n2cccc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1ccc(Cl)cc1)c1cnn(c1-n1cccc1)[*:1]
Cc1ccc(-n2ncc(C(=O)NCCc3ccc(Cl)cc3)c2-n2cccc2)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1ncc(C(=O)NC[*:1])c1-n1cccc1
CC[C@@]1(C)Cc2c(sc3c2-c2ncnn2-c2nnc(SCC(=O)N4CCCC4)n2-3)CO1 O=C(C[*:1])N1CCCC1 CC[C@@]1(C)Cc2c(CO1)sc1c2-c2ncnn2-c2nnc(S[*:1])n2-1
CC[C@@]1(C)Cc2c(sc3c2-c2ncnn2-c2nnc(SCC(=O)N4CCCC4)n2-3)CO1 O=C(CS[*:1])N1CCCC1 CC[C@@]1(C)Cc2c(CO1)sc1c2-c2ncnn2-c2nnc(n2-1)[*:1]
CC[C@@]1(C)Cc2c(sc3c2-c2ncnn2-c2nnc(SCC(=O)N4CCCC4)n2-3)CO1 O=C(N1CCCC1)[*:1] CC[C@@]1(C)Cc2c(CO1)sc1c2-c2ncnn2-c2nnc(SC[*:1])n2-1
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(C[*:1])c2ccccc21
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)cc1 Fc1cccc(c1)C[*:1] COc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(c2ccccc21)[*:1]
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C1N(Cc2cccc(F)c2)c2ccccc2[C@@]1(O)CC(=O)[*:1]
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)cc1 COc1ccc(cc1)C(=O)[*:1] O=C1N(Cc2cccc(F)c2)c2ccccc2[C@@]1(O)C[*:1]
COC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Cl)o1 COC(=O)[*:1] Clc1cc(Br)ccc1-c1ccc(C=C[*:1])o1
COC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Cl)o1 COC(=O)C=C[*:1] Clc1cc(Br)ccc1-c1ccc(o1)[*:1]
CCOc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)NNC(=O)c1cn(nc1-c1ccc(C)o1)[*:1]
CCOc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 CCO[*:1] Cc1ccc(o1)-c1nn(cc1C(=O)NNC(=O)c1ccc(cc1)[*:1])-c1ccccc1
CCOc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] CCOc1ccc(cc1)C(=O)NNC(=O)c1cn(nc1[*:1])-c1ccccc1
CCOc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(o1)-c1nn(cc1C(=O)NNC(=O)[*:1])-c1ccccc1
CC(C)COc1cncc(N[C@@H]2CC(=O)N(C3CC3)C2)n1 C1CC1[*:1] CC(C)COc1cncc(n1)N[C@@H]1CC(=O)N(C1)[*:1]
CC(C)COc1cncc(N[C@@H]2CC(=O)N(C3CC3)C2)n1 CC(C)C[*:1] O=C1C[C@H](CN1C1CC1)Nc1cncc(n1)O[*:1]
CC(C)COc1cncc(N[C@@H]2CC(=O)N(C3CC3)C2)n1 CC(C)CO[*:1] O=C1C[C@H](CN1C1CC1)Nc1cncc(n1)[*:1]
CC(C)COc1cncc(N[C@@H]2CC(=O)N(C3CC3)C2)n1 CC(C)[*:1] O=C1C[C@H](CN1C1CC1)Nc1cncc(n1)OC[*:1]
COCc1c(Cl)cccc1NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 COC[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1cccc(Cl)c1[*:1]
Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3ncnn3C)cc2)nn1 Cc1ccc(nn1)O[*:1] CN(Cc1ncnn1C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3ncnn3C)cc2)nn1 Cn1ncnc1C[*:1] Cc1ccc(nn1)Oc1ccc(cc1)NC(=O)N(C)[*:1]
Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3ncnn3C)cc2)nn1 Cc1ccc(nn1)[*:1] CN(Cc1ncnn1C)C(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3ncnn3C)cc2)nn1 Cn1ncnc1[*:1] Cc1ccc(nn1)Oc1ccc(cc1)NC(=O)N(C)C[*:1]
C[C@@H](CC1CCCCC1)C(=O)Nc1nccs1 c1csc(n1)[*:1] C[C@@H](CC1CCCCC1)C(=O)N[*:1]
CC(C)n1cc[nH+]c1C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 CC(C)[*:1] O=C(c1ccc2[nH]nnc2c1)N1CCC(CC1)c1[nH+]ccn1[*:1]
CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cccc(c1)[*:1]
CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 CCS(=O)(=O)[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)c1cccc(c1)N1CCOC1=O
CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 CCS(=O)(=O)C[*:1] C[C@H]([NH2+][C@H](C)c1cccc(c1)N1CCOC1=O)[*:1]
CN(C)c1ccc(NC(=O)N(CCO)C2CC2)c[nH+]1 OCC[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N(C1CC1)[*:1]
CN(C)c1ccc(NC(=O)N(CCO)C2CC2)c[nH+]1 CN(C)[*:1] O=C(Nc1ccc([nH+]c1)[*:1])N(CCO)C1CC1
CN(C)c1ccc(NC(=O)N(CCO)C2CC2)c[nH+]1 C1CC1[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N(CCO)[*:1]
O=C(c1ccc(F)cc1)N1CCc2ccccc2[C@H]1[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 O=S(=O)(c1ccccc1)[*:1] O=C(c1ccc(F)cc1)N1CCc2ccccc2[C@H]1[C@H]([N+](=O)[O-])[*:1]
O=C(c1ccc(F)cc1)N1CCc2ccccc2[C@H]1[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(F)cc1)N1CCc2ccccc2[C@H]1[C@H]([N+](=O)[O-])S(=O)(=O)[*:1]
O=C(c1ccc(F)cc1)N1CCc2ccccc2[C@H]1[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 O=[N+]([O-])[*:1] O=C(c1ccc(F)cc1)N1CCc2ccccc2[C@H]1[C@H](S(=O)(=O)c1ccccc1)[*:1]
O=C(c1ccc(F)cc1)N1CCc2ccccc2[C@H]1[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(N1CCc2ccccc2[C@H]1[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1)[*:1]
C[C@H](O)C[C@H](C)CNC(=O)NCc1cc(=O)[nH]c2ccccc12 C[C@H](O)C[*:1] C[C@H](CNC(=O)NCc1cc(=O)[nH]c2ccccc12)[*:1]
C[C@H](O)C[C@H](C)CNC(=O)NCc1cc(=O)[nH]c2ccccc12 C[C@H](O)[*:1] C[C@H](CNC(=O)NCc1cc(=O)[nH]c2ccccc12)C[*:1]
CSC(C)(C)CNC(=O)c1ccc2ncccc2c1 CSC(C)(C)C[*:1] O=C(N[*:1])c1ccc2ncccc2c1
CSC(C)(C)CNC(=O)c1ccc2ncccc2c1 CSC(C)(C)[*:1] O=C(NC[*:1])c1ccc2ncccc2c1
CCOc1ccccc1NC(=O)CCc1ccccc1 CCO[*:1] O=C(CCc1ccccc1)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)CC[*:1]
Cc1c(NC(=O)C2CC2)cccc1-c1nc2cccnc2s1 O=C(N[*:1])C1CC1 Cc1c(cccc1[*:1])-c1nc2cccnc2s1
Cc1c(NC(=O)C2CC2)cccc1-c1nc2cccnc2s1 C1CC1[*:1] Cc1c(cccc1-c1nc2cccnc2s1)NC(=O)[*:1]
Cc1cc(CN2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)on1 C1CC1[*:1] Cc1cc(CN2CCN(CC2)CC(=O)N[C@@](C)(C#N)[*:1])on1
Cc1cc(CN2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)on1 Cc1cc(C[*:1])on1 C[C@@](C#N)(NC(=O)CN1CCN(CC1)[*:1])C1CC1
Cc1cc(CN2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)on1 Cc1cc(on1)[*:1] C[C@@](C#N)(NC(=O)CN1CCN(CC1)C[*:1])C1CC1
Cc1ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1C(F)(F)F CC(C)C[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)[C@H](NC(N)=O)[*:1]
Cc1ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H](CC(C)C)NC(N)=O
Cc1ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1C(F)(F)F NC(=O)N[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)[C@H](CC(C)C)[*:1]
Cc1ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1C(F)(F)F CC(C)[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)[C@H](C[*:1])NC(N)=O
C[C@H]1CCC[C@@H](OCC(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1CCC[C@H](C1)OCC(=O)N1CCc2c1cccc2[*:1]
O=c1oc2ccc(Br)cc2cc1CCS SCC[*:1] O=c1oc2ccc(Br)cc2cc1[*:1]
CN(CCCc1ccccc1)C(=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] CN(CCC[*:1])C(=O)c1ccc(F)cc1
CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])CC(F)(F)F)C(C)C O=C([O-])[*:1] CC(=O)N[C@@H](C(=O)N(CC(F)(F)F)C[*:1])C(C)C
CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])CC(F)(F)F)C(C)C O=C([O-])C[*:1] CC(=O)N[C@@H](C(=O)N(CC(F)(F)F)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])CC(F)(F)F)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])CC(F)(F)F)[*:1]
CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])CC(F)(F)F)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)N(CC(=O)[O-])CC(F)(F)F)[*:1]
CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])CC(F)(F)F)C(C)C FC(F)(F)C[*:1] CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])[*:1])C(C)C
CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])CC(F)(F)F)C(C)C FC(F)(F)[*:1] CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])C[*:1])C(C)C
CCCCC(=O)N1CSC[C@H]1C(=O)NCc1nc2ccccc2[nH]1 CCC[*:1] O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CSCN1C(=O)C[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)NCc1nc2ccccc2[nH]1 CCCC[*:1] O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CSCN1C(=O)[*:1]
Cc1cccc(NC(=O)C[NH+]2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc(cs1)-c1ccc(F)cc1)N[*:1]
Cc1cccc(NC(=O)C[NH+]2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(NC(=O)C[NH+]2CCN(CC2)Cc2nc(cs2)[*:1])c1C
Cc1ccc([C@H](CC2CCCC2)C(=O)[O-])cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)[C@H](C[*:1])C(=O)[O-]
Cc1ccc([C@H](CC2CCCC2)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)[C@H](CC1CCCC1)[*:1]
COc1ccc(C=O)cc1CSc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C=O)cc1CS[*:1]
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1cc3ccccc3[nH]1)CC2 O=C([O-])[*:1] CN1C(=O)C[C@@H](C12CCN(CC2)C(=O)c1cc2ccccc2[nH]1)[*:1]
FC(F)(F)c1cccc(C[NH2+]C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] FC(F)(F)c1cccc(c1)C[NH2+]C[*:1]
FC(F)(F)c1cccc(C[NH2+]C[C@H]2CCCO2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])C[NH2+]C[C@H]1CCCO1
COc1ccc(F)c(-n2nnc3cc(C(=O)[O-])ccc32)c1 O=C([O-])[*:1] COc1ccc(F)c(c1)-n1nnc2cc(ccc21)[*:1]
CC(C)N(CC(F)F)C1CCSCC1 CC(C)[*:1] FC(F)CN(C1CCSCC1)[*:1]
CC(C)N(CC(F)F)C1CCSCC1 FC(F)[*:1] CC(C)N(C[*:1])C1CCSCC1
CC(C)N(CC(F)F)C1CCSCC1 FC(F)C[*:1] CC(C)N(C1CCSCC1)[*:1]
Fc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)cc1 FC(F)(F)[*:1] Fc1ccc(cc1)C[NH2+][C@H]1CCCC[C@@H]1[*:1]
O=C(C[C@@H]1CCCO1)N(Cc1ccccn1)C1CC1 C1CO[C@@H](C1)C[*:1] O=C(N(Cc1ccccn1)C1CC1)[*:1]
O=C(C[C@@H]1CCCO1)N(Cc1ccccn1)C1CC1 C1CC1[*:1] O=C(C[C@@H]1CCCO1)N(Cc1ccccn1)[*:1]
O=C(C[C@@H]1CCCO1)N(Cc1ccccn1)C1CC1 C1CO[C@@H](C1)[*:1] O=C(C[*:1])N(Cc1ccccn1)C1CC1
O=C(C[C@@H]1CCCO1)N(Cc1ccccn1)C1CC1 c1ccc(nc1)[*:1] O=C(C[C@@H]1CCCO1)N(C[*:1])C1CC1
CCN(CCO)C(=O)c1cn(C2C[NH2+]C2)nn1 OCC[*:1] CCN(C(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
Cc1c(NC(=O)c2csc3c2CCCC3)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)c1csc2CCCCc12
C[C@@H]1CSC(=O)N1CCC(=O)OCC1=NC(=O)[C@H]2SC=CC2=N1 C[C@@H]1CSC(=O)N1[*:1] O=C(CC[*:1])OCC1=NC(=O)[C@H]2SC=CC2=N1
CCOc1ccccc1N1CCN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1 CCOc1ccccc1[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)CN1CCN(CC1)[*:1]
CCOc1ccccc1N1CCN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1 CCO[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)CN1CCN(CC1)c1ccccc1[*:1]
CCOc1ccccc1N1CCN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1 CC(=O)[*:1] CCOc1ccccc1N1CCN(CC1)CC(=O)Nc1cc2OCOc2cc1[*:1]
Cc1cccc(C[NH+](CCn2c(=O)oc3cccnc32)C2CC2)c1 Cc1cccc(c1)[*:1] O=c1oc2cccnc2n1CC[NH+](C[*:1])C1CC1
Cc1cccc(C[NH+](CCn2c(=O)oc3cccnc32)C2CC2)c1 Cc1cccc(c1)C[*:1] O=c1oc2cccnc2n1CC[NH+](C1CC1)[*:1]
Cc1cccc(C[NH+](CCn2c(=O)oc3cccnc32)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)C[NH+](CCn1c(=O)oc2cccnc21)[*:1]
CC[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)[*:1]
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)CCC1=O O=C1CCC(=O)N1C[*:1] Cc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCCCC1
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)CCC1=O O=C1CCC(=O)N1[*:1] Cc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N1CCCCC1
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)CCC1=O O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1NC(=O)CN1C(=O)CCC1=O)[*:1]
Cn1cc(C(=O)N[C@@H](CO)CC(C)(C)C)c(-c2ccc(F)cc2F)n1 CC(C)(C)C[*:1] Cn1cc(C(=O)N[C@@H](CO)[*:1])c(n1)-c1ccc(F)cc1F
Cn1cc(C(=O)N[C@@H](CO)CC(C)(C)C)c(-c2ccc(F)cc2F)n1 Fc1ccc(c(F)c1)[*:1] Cn1cc(C(=O)N[C@@H](CO)CC(C)(C)C)c(n1)[*:1]
Cn1cc(C(=O)N[C@@H](CO)CC(C)(C)C)c(-c2ccc(F)cc2F)n1 CC(C)(C)[*:1] Cn1cc(C(=O)N[C@@H](CO)C[*:1])c(n1)-c1ccc(F)cc1F
C/[NH+]=C(/NCCc1ncc(C)s1)N(C)Cc1ccc2c(c1)OCCO2 Cc1cnc(CC[*:1])s1 C/[NH+]=C(/N[*:1])N(C)Cc1ccc2OCCOc2c1
C/[NH+]=C(/NCCc1ncc(C)s1)N(C)Cc1ccc2c(c1)OCCO2 Cc1cnc(C[*:1])s1 C/[NH+]=C(/NC[*:1])N(C)Cc1ccc2OCCOc2c1
C/[NH+]=C(/NCCc1ncc(C)s1)N(C)Cc1ccc2c(c1)OCCO2 Cc1cnc(s1)[*:1] C/[NH+]=C(/NCC[*:1])N(C)Cc1ccc2OCCOc2c1
CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1Nc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(C)c(C)c1)N[*:1]
CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1Nc1ccc(C)cc1C Cc1ccc(cc1C)[*:1] CC1C(=NS(=O)(=O)C=1[*:1])Nc1ccc(C)cc1C
CCCS(=O)(=O)N(CC)Cc1cccc(C)n1 CCC[*:1] CCN(Cc1cccc(C)n1)S(=O)(=O)[*:1]
N#Cc1ccc(O)c(NC(=O)c2cnc(Cc3ccccc3)s2)c1 c1ccc(cc1)[*:1] N#Cc1ccc(O)c(c1)NC(=O)c1cnc(C[*:1])s1
N#Cc1ccc(O)c(NC(=O)c2cnc(Cc3ccccc3)s2)c1 c1ccc(cc1)C[*:1] N#Cc1ccc(O)c(c1)NC(=O)c1cnc(s1)[*:1]
C1CO[C@H](CSc2nnc(N3CCOCC3)s2)C1 C1CO[C@H](C1)[*:1] C1CN(CCO1)c1nnc(SC[*:1])s1
C1CO[C@H](CSc2nnc(N3CCOCC3)s2)C1 C1CO[C@@H](C1)C[*:1] C1CN(CCO1)c1nnc(S[*:1])s1
C1CO[C@H](CSc2nnc(N3CCOCC3)s2)C1 C1CN(CCO1)[*:1] C1CO[C@@H](C1)CSc1nnc(s1)[*:1]
CC[C@H]1CN(C(=O)c2cc(COc3cccc(C(C)=O)c3)[nH]n2)CC[NH2+]1 CC(=O)[*:1] CC[C@H]1CN(CC[NH2+]1)C(=O)c1cc(COc2cccc(c2)[*:1])[nH]n1
O=C(N1CCC(c2c[nH]c3ccccc23)CC1)C12CC3CC(CC(C3)C1)C2 c1ccc2c(c[nH]c2c1)[*:1] O=C(N1CCC(CC1)[*:1])C12CC3CC(CC(C3)C1)C2
C=C(C)[C@@H]1CC=C(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)CC1 C=C(C)[*:1] O=C([O-])[C@@H]1[C@@H]2C(=O)N(CC3=CC[C@H](CC3)[*:1])C[C@]23C=C[C@H]1O3
C=C(C)[C@@H]1CC=C(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)CC1 O=C([O-])[*:1] C=C(C)[C@@H]1CC=C(CC1)CN1C[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C1=O)[*:1]
FC(F)(F)CCN[C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 FC(F)(F)C[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@@H]1NC[*:1]
FC(F)(F)CCN[C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 FC(F)(F)CC[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@@H]1N[*:1]
FC(F)(F)CCN[C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 FC(F)(F)[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@@H]1NCC[*:1]
Cc1cccc(-n2nc(C(=O)NCc3ccccn3)c(=O)n(Cc3ccccc3F)c2=O)c1 c1ccc(C[*:1])nc1 Cc1cccc(c1)-n1nc(C(=O)N[*:1])c(=O)n(Cc2ccccc2F)c1=O
Cc1cccc(-n2nc(C(=O)NCc3ccccn3)c(=O)n(Cc3ccccc3F)c2=O)c1 Cc1cccc(c1)[*:1] O=C(NCc1ccccn1)c1nn(c(=O)n(Cc2ccccc2F)c1=O)[*:1]
Cc1cccc(-n2nc(C(=O)NCc3ccccn3)c(=O)n(Cc3ccccc3F)c2=O)c1 O=C(NCc1ccccn1)[*:1] Cc1cccc(c1)-n1nc(c(=O)n(Cc2ccccc2F)c1=O)[*:1]
Cc1cccc(-n2nc(C(=O)NCc3ccccn3)c(=O)n(Cc3ccccc3F)c2=O)c1 Fc1ccccc1[*:1] Cc1cccc(c1)-n1nc(C(=O)NCc2ccccn2)c(=O)n(C[*:1])c1=O
Cc1cccc(-n2nc(C(=O)NCc3ccccn3)c(=O)n(Cc3ccccc3F)c2=O)c1 Fc1ccccc1C[*:1] Cc1cccc(c1)-n1nc(C(=O)NCc2ccccn2)c(=O)n(c1=O)[*:1]
Cc1cccc(-n2nc(C(=O)NCc3ccccn3)c(=O)n(Cc3ccccc3F)c2=O)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)-n1nc(C(=O)NC[*:1])c(=O)n(Cc2ccccc2F)c1=O
C[C@H](c1ccccc1)N(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 C[C@H](c1ccccc1)[*:1] CN(C(=O)c1ccc2c(=O)n3CCCc3nc2c1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1ccc2c(=O)n3CCCc3nc2c1)[*:1]
O=C(NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1cccs1 Fc1ccc(cc1F)[*:1] O=C(NNC(=O)c1nn(c2CCCc12)[*:1])c1cccs1
O=C(NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1cccs1 c1csc(c1)[*:1] O=C(NNC(=O)[*:1])c1nn(-c2ccc(F)c(F)c2)c2CCCc12
Cn1cc(C(=O)NCCNC(=O)c2ccccn2)c2ccccc21 c1ccc(nc1)[*:1] Cn1cc(C(=O)NCCNC(=O)[*:1])c2ccccc21
CCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc1 Fc1ccc(cc1)[*:1] CCNC(=O)c1ccc(nc1)Oc1ccc(cc1)NS(=O)(=O)[*:1]
CCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc1 CCNC(=O)[*:1] O=S(=O)(Nc1ccc(cc1)Oc1ccc(cn1)[*:1])c1ccc(F)cc1
CC(C)n1cc(C(=O)[O-])c2ccccc2c1=O O=C([O-])[*:1] CC(C)n1cc(c2ccccc2c1=O)[*:1]
CC(C)n1cc(C(=O)[O-])c2ccccc2c1=O CC(C)[*:1] O=C([O-])c1cn(c(=O)c2ccccc12)[*:1]
Cn1c(=O)n(C)c2cc(Sc3ccc(Cl)cc3)c(NC(=O)c3cccc(F)c3)cc21 Fc1cccc(c1)[*:1] Cn1c(=O)n(C)c2cc(Sc3ccc(Cl)cc3)c(cc21)NC(=O)[*:1]
Cn1c(=O)n(C)c2cc(Sc3ccc(Cl)cc3)c(NC(=O)c3cccc(F)c3)cc21 O=C(N[*:1])c1cccc(F)c1 Cn1c(=O)n(C)c2cc(c(cc21)Sc1ccc(Cl)cc1)[*:1]
Cn1c(=O)n(C)c2cc(Sc3ccc(Cl)cc3)c(NC(=O)c3cccc(F)c3)cc21 Clc1ccc(cc1)S[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)c1cccc(F)c1)[*:1]
Cn1c(=O)n(C)c2cc(Sc3ccc(Cl)cc3)c(NC(=O)c3cccc(F)c3)cc21 Clc1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(S[*:1])c(cc21)NC(=O)c1cccc(F)c1
Cc1[nH]nc2c1N[C@@H](c1cn(Cc3ccccc3)nc1-c1cccs1)NC2=O c1ccc(cc1)[*:1] Cc1[nH]nc2C(=O)N[C@@H](Nc21)c1cn(C[*:1])nc1-c1cccs1
Cc1[nH]nc2c1N[C@@H](c1cn(Cc3ccccc3)nc1-c1cccs1)NC2=O c1ccc(cc1)C[*:1] Cc1[nH]nc2C(=O)N[C@@H](Nc21)c1cn(nc1-c1cccs1)[*:1]
Cc1[nH]nc2c1N[C@@H](c1cn(Cc3ccccc3)nc1-c1cccs1)NC2=O c1csc(c1)[*:1] Cc1[nH]nc2C(=O)N[C@@H](Nc21)c1cn(Cc2ccccc2)nc1[*:1]
Fc1ccc(C2=NN=C[C@H]2CN(Cc2cccnc2)Cc2cccnc2)cc1 Fc1ccc(cc1)[*:1] C1=NN=C([C@@H]1CN(Cc1cccnc1)Cc1cccnc1)[*:1]
Fc1ccc(C2=NN=C[C@H]2CN(Cc2cccnc2)Cc2cccnc2)cc1 c1cncc(c1)C[*:1] Fc1ccc(cc1)C1=NN=C[C@H]1CN(Cc1cccnc1)[*:1]
Fc1ccc(C2=NN=C[C@H]2CN(Cc2cccnc2)Cc2cccnc2)cc1 c1cncc(c1)[*:1] Fc1ccc(cc1)C1=NN=C[C@H]1CN(Cc1cccnc1)C[*:1]
c1ccc(-n2cc(CNc3ccccc3-n3cccn3)cn2)cc1 c1ccc(cc1)[*:1] c1ccc(c(c1)NCc1cnn(c1)[*:1])-n1cccn1
c1ccc(-n2cc(CNc3ccccc3-n3cccn3)cn2)cc1 c1cnn(c1)[*:1] c1ccc(cc1)-n1cc(cn1)CNc1ccccc1[*:1]
CC(C)[C@H](SC(=S)N1CCCC1)C(=O)N1CCc2ccccc2C1 S=C(S[*:1])N1CCCC1 CC(C)[C@H](C(=O)N1CCc2ccccc2C1)[*:1]
CC(C)[C@H](SC(=S)N1CCCC1)C(=O)N1CCc2ccccc2C1 CC(C)[*:1] O=C([C@@H](SC(=S)N1CCCC1)[*:1])N1CCc2ccccc2C1
Cn1cnc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)n1 Cn1cnc(C[*:1])n1 O=C(N[*:1])c1[nH]c2ccc(Cl)cc2c1Cl
Cn1cnc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])c1[nH]c2ccc(Cl)cc2c1Cl
COc1cc(N)ccc1NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] COc1cc(N)ccc1NC(=O)[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1n[nH]c(N)n1 O=C([O-])[*:1] C[C@H]1[C@@H](CCN1C(=O)c1n[nH]c(N)n1)[*:1]
CCS[C@@H](C)c1noc(CN(C)Cc2ccc(Cl)o2)n1 CCS[C@@H](C)[*:1] CN(Cc1ccc(Cl)o1)Cc1nc(no1)[*:1]
CCS[C@@H](C)c1noc(CN(C)Cc2ccc(Cl)o2)n1 CCS[*:1] C[C@@H](c1noc(CN(C)Cc2ccc(Cl)o2)n1)[*:1]
CCS[C@@H](C)c1noc(CN(C)Cc2ccc(Cl)o2)n1 Clc1ccc(o1)[*:1] CCS[C@@H](C)c1noc(CN(C)C[*:1])n1
Cn1c(=O)n(C)c2cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc21 CC(C)(C)[*:1] Cn1c(=O)n(C)c2cc(ccc21)C[NH2+]C(C)(C)C[*:1]
Cn1c(=O)n(C)c2cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc21 CC(C)(C)C[*:1] Cn1c(=O)n(C)c2cc(ccc21)C[NH2+]C(C)(C)[*:1]
CC(C)(CNC(=O)CCc1ccco1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)CCc1ccco1)[*:1]
CC(C)(CNC(=O)CCc1ccco1)c1ccncc1 c1coc(c1)C[*:1] CC(C)(CNC(=O)C[*:1])c1ccncc1
CC(C)(CNC(=O)CCc1ccco1)c1ccncc1 c1coc(c1)[*:1] CC(C)(CNC(=O)CC[*:1])c1ccncc1
CC(C)C(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CC(C)C(=O)N[C@@H](Nc1ccc(Br)cc1)[*:1]
CC(C)C(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl CC(C)C(=O)N[*:1] ClC(Cl)(Cl)[C@H](Nc1ccc(Br)cc1)[*:1]
CC(C)C(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl CC(C)[*:1] O=C(N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)[*:1]
O=C(NC[C@H]1CCCO1)C1=NC=C(C(=O)C2CCCCC2)C1 C1CO[C@H](C1)C[*:1] O=C(N[*:1])C1CC(=CN=1)C(=O)C1CCCCC1
O=C(NC[C@H]1CCCO1)C1=NC=C(C(=O)C2CCCCC2)C1 C1CCC(CC1)[*:1] O=C(NC[C@H]1CCCO1)C1CC(=CN=1)C(=O)[*:1]
O=C(NC[C@H]1CCCO1)C1=NC=C(C(=O)C2CCCCC2)C1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])C1CC(=CN=1)C(=O)C1CCCCC1
CCc1nn(C)cc1CNC(=O)c1cn(-c2ccccc2)nc1C CCc1nn(C)cc1[*:1] Cc1nn(cc1C(=O)NC[*:1])-c1ccccc1
CCc1nn(C)cc1CNC(=O)c1cn(-c2ccccc2)nc1C c1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)c1cn(nc1C)[*:1]
Cc1cccc(C(=O)N2CCC[C@H](C(=O)Cc3ccccc3)C2)n1 Cc1cccc(n1)[*:1] O=C(Cc1ccccc1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cccc(C(=O)N2CCC[C@H](C(=O)Cc3ccccc3)C2)n1 c1ccc(cc1)[*:1] Cc1cccc(n1)C(=O)N1CCC[C@@H](C1)C(=O)C[*:1]
Cc1cccc(C(=O)N2CCC[C@H](C(=O)Cc3ccccc3)C2)n1 c1ccc(cc1)C[*:1] Cc1cccc(n1)C(=O)N1CCC[C@@H](C1)C(=O)[*:1]
C[NH2+][C@]1(CO)CCC[C@@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 FC(F)(F)C[*:1] C[NH2+][C@]1(CO)CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
C[NH2+][C@]1(CO)CCC[C@@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 FC(F)(F)[*:1] C[NH2+][C@]1(CO)CCC[C@H](C1)[NH+]1CCN(CC1)C[*:1]
CCc1ccc(NC(=O)NCCn2c(C)n[nH]c2=S)cc1 Cc1n[nH]c(=S)n1[*:1] CCc1ccc(cc1)NC(=O)NCC[*:1]
Cc1ccc(F)cc1NC(=O)c1sccc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(F)cc1NC(=O)c1sccc1[*:1]
CC(C)CN1C(=O)N[C@](NC(=O)c2cccnc2)(C(F)(F)F)C1=O CC(C)C[*:1] O=C(N[C@@]1(NC(=O)N(C1=O)[*:1])C(F)(F)F)c1cccnc1
CC(C)CN1C(=O)N[C@](NC(=O)c2cccnc2)(C(F)(F)F)C1=O CC(C)[*:1] O=C(N[C@@]1(NC(=O)N(C[*:1])C1=O)C(F)(F)F)c1cccnc1
CC(C)CN1C(=O)N[C@](NC(=O)c2cccnc2)(C(F)(F)F)C1=O c1cncc(c1)[*:1] CC(C)CN1C(=O)N[C@@](NC(=O)[*:1])(C1=O)C(F)(F)F
CC(C)CN1C(=O)N[C@](NC(=O)c2cccnc2)(C(F)(F)F)C1=O FC(F)(F)[*:1] CC(C)CN1C(=O)N[C@](NC(=O)c2cccnc2)(C1=O)[*:1]
Cc1ccc(C(=O)N[C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)cn1 OCC1CCN(CC1)[*:1] Cc1ccc(cn1)C(=O)N[C@@H]1CCCc2nc(ncc21)[*:1]
Cc1ccc(C(=O)N[C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)cn1 Cc1ccc(cn1)[*:1] O=C(N[C@@H]1CCCc2nc(ncc21)N1CCC(CO)CC1)[*:1]
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 Brc1cccc(c1)[*:1] CCOC(=O)c1ccc(cc1)N/C=C(\C#N)c1nc(cs1)[*:1]
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 CCOC(=O)[*:1] N#C/C(=C\Nc1ccc(cc1)[*:1])c1nc(cs1)-c1cccc(Br)c1
CCc1nsc(NC[C@H](C)Nc2ccccc2)n1 c1ccc(cc1)[*:1] CCc1nsc(n1)NC[C@H](C)N[*:1]
CSc1cccc(NC(=O)c2ccc(-c3cncnc3)nc2)c1 c1ncc(cn1)[*:1] CSc1cccc(c1)NC(=O)c1ccc(nc1)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CS(=O)(=O)C3)cc1 Clc1ccc(cc1)OC[*:1] Cc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CS(=O)(=O)C3)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CS(=O)(=O)C3)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)CO[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CS(=O)(=O)C3)cc1 Clc1ccc(cc1)O[*:1] Cc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)C[*:1]
CCS[C@@H](C)C(=O)Nc1ccccc1F CCS[*:1] C[C@@H](C(=O)Nc1ccccc1F)[*:1]
CCS[C@@H](C)C(=O)Nc1ccccc1F CCS[C@@H](C)[*:1] O=C(Nc1ccccc1F)[*:1]
CC(C)(CNC(=O)NC[C@H](O)C1CCOCC1)c1ccc(F)cc1Cl C1CC(CCO1)[*:1] CC(C)(CNC(=O)NC[C@H](O)[*:1])c1ccc(F)cc1Cl
CC(C)(CNC(=O)NC[C@H](O)C1CCOCC1)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] CC(C)(CNC(=O)NC[C@H](O)C1CCOCC1)[*:1]
C=CCn1c(C)nnc1S[C@H](C(=O)Nc1cccc(Cl)c1)C(C)C CC(C)[*:1] C=CCn1c(C)nnc1S[C@H](C(=O)Nc1cccc(Cl)c1)[*:1]
C=CCn1c(C)nnc1S[C@H](C(=O)Nc1cccc(Cl)c1)C(C)C Clc1cccc(c1)[*:1] C=CCn1c(C)nnc1S[C@H](C(=O)N[*:1])C(C)C
C=CCn1c(C)nnc1S[C@H](C(=O)Nc1cccc(Cl)c1)C(C)C C=CC[*:1] Cc1nnc(S[C@H](C(=O)Nc2cccc(Cl)c2)C(C)C)n1[*:1]
CCCc1c(C[NH2+]C2CC2)cnn1-c1ccccn1 C1CC1[*:1] CCCc1c(cnn1-c1ccccn1)C[NH2+][*:1]
CCCc1c(C[NH2+]C2CC2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] CCCc1c(cnn1[*:1])C[NH2+]C1CC1
CCCc1c(C[NH2+]C2CC2)cnn1-c1ccccn1 CCC[*:1] c1ccc(nc1)-n1ncc(C[NH2+]C2CC2)c1[*:1]
CONC(=O)c1ccccc1Nc1ccccc1 CONC(=O)[*:1] c1ccc(cc1)Nc1ccccc1[*:1]
CONC(=O)c1ccccc1Nc1ccccc1 c1ccc(cc1)[*:1] CONC(=O)c1ccccc1N[*:1]
Cc1ncccc1NC(=O)NC[C@@H](C)C[C@@H](C)O C[C@@H](O)C[*:1] Cc1ncccc1NC(=O)NC[C@@H](C)[*:1]
Cc1ncccc1NC(=O)NC[C@@H](C)C[C@@H](C)O C[C@@H](O)[*:1] Cc1ncccc1NC(=O)NC[C@@H](C)C[*:1]
CCc1ccc(C(C)(C)NC(=O)CCn2cc[nH+]c2C(C)C)cc1 CCc1ccc(cc1)[*:1] CC(C)c1[nH+]ccn1CCC(=O)NC(C)(C)[*:1]
CCc1ccc(C(C)(C)NC(=O)CCn2cc[nH+]c2C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)CCn1cc[nH+]c1[*:1]
CCCNc1ncnc(NC2CCCCC2)c1[N+](=O)[O-] CCC[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NC1CCCCC1
CCCNc1ncnc(NC2CCCCC2)c1[N+](=O)[O-] C1CCC(CC1)[*:1] CCCNc1ncnc(N[*:1])c1[N+](=O)[O-]
CCCNc1ncnc(NC2CCCCC2)c1[N+](=O)[O-] CCCN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NC1CCCCC1
CCCNc1ncnc(NC2CCCCC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCNc1ncnc(NC2CCCCC2)c1[*:1]
COC[C@H](O)CNc1ccc(-c2nc(-c3ccccc3C)no2)cn1 COC[*:1] Cc1ccccc1-c1noc(n1)-c1ccc(nc1)NC[C@@H](O)[*:1]
COC[C@H](O)CNc1ccc(-c2nc(-c3ccccc3C)no2)cn1 Cc1ccccc1[*:1] COC[C@H](O)CNc1ccc(cn1)-c1nc(no1)[*:1]
C[C@H](Cl)C(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 c1ccc(cc1)[*:1] C[C@H](Cl)C(=O)N([C@@H]1C=CS(=O)(=O)C1)[*:1]
C[C@H](Cl)C(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 C[C@H](Cl)[*:1] O=C(N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)CNC(=O)c1cccc(c1)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)CNC(=O)c1cccc(c1)[N+](=O)[O-]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)CNC(=O)[*:1]
C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1cccc(C)c1 C=CC[*:1] Cc1cccc(c1)-c1nnc(SCC(=O)Nc2nnc(C)s2)n1[*:1]
C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1cccc(C)c1 Cc1cccc(c1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1nnc(C)s1
C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1cccc(C)c1 Cc1nnc(s1)[*:1] C=CCn1c(nnc1-c1cccc(C)c1)SCC(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNc1cccc(C#Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)CNc1cccc(C#C[*:1])c1)S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNc1cccc(C#Cc2ccccc2)c1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1NC(=O)CNc1cccc(C#Cc2ccccc2)c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNc1cccc(C#Cc2ccccc2)c1 C(#C[*:1])c1ccccc1 Cc1ccc(cc1NC(=O)CNc1cccc(c1)[*:1])S(=O)(=O)N1CCOCC1
COc1ccc([C@H](C)C(=O)NCC2(O)CCSCC2)cc1 OC1(CCSCC1)[*:1] COc1ccc(cc1)[C@H](C)C(=O)NC[*:1]
Nc1ccc(-c2ccc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cn1 Fc1ccc(cc1)C[*:1] Nc1ccc(cn1)-c1ccc(nc1)[C@@H]1CCCN(C1)C(=O)[*:1]
Nc1ccc(-c2ccc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cn1 Fc1ccc(cc1)[*:1] Nc1ccc(cn1)-c1ccc(nc1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Nc1ccc(-c2ccc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cn1 Nc1ccc(cn1)[*:1] O=C(Cc1ccc(F)cc1)N1CCC[C@H](C1)c1ccc(cn1)[*:1]
Fc1ccc2ncnc(Sc3nnnn3-c3ccccc3)c2c1 c1ccc(cc1)[*:1] Fc1ccc2ncnc(Sc3nnnn3[*:1])c2c1
CC(C)(C)Oc1cc(C(=O)N2CCC(c3nc[nH]n3)CC2)ccn1 c1nc(n[nH]1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N1CCC(CC1)[*:1]
CC(C)(C)Oc1cc(C(=O)N2CCC(c3nc[nH]n3)CC2)ccn1 CC(C)(C)O[*:1] O=C(c1ccnc(c1)[*:1])N1CCC(CC1)c1nc[nH]n1
CC(C)(C)Oc1cc(C(=O)N2CCC(c3nc[nH]n3)CC2)ccn1 CC(C)(C)[*:1] O=C(c1ccnc(c1)O[*:1])N1CCC(CC1)c1nc[nH]n1
Clc1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccccn4)C3)CC2)cc1 c1ccc(nc1)[*:1] Clc1ccc(cc1)N1CCC(CC1)[NH2+][C@@H]1CCN(C1)[*:1]
Clc1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccccn4)C3)CC2)cc1 Clc1ccc(cc1)[*:1] c1ccc(nc1)N1CC[C@H](C1)[NH2+]C1CCN(CC1)[*:1]
CCOC(=O)CCC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CCOC(=O)CCC(=O)N[C@H]1CCCCC[C@H]1[*:1]
CCOC(=O)CCC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] CCOC(=O)C[*:1] O=C(C[*:1])N[C@H]1CCCCC[C@@H]1C(=O)[O-]
CCOC(=O)CCC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] CCOC(=O)[*:1] O=C(CC[*:1])N[C@H]1CCCCC[C@@H]1C(=O)[O-]
CN(C)c1nccnc1N1CCC(Oc2ccc3ccccc3c2)(C(=O)[O-])CC1 CN(C)c1nccnc1[*:1] O=C([O-])C1(CCN(CC1)[*:1])Oc1ccc2ccccc2c1
CN(C)c1nccnc1N1CCC(Oc2ccc3ccccc3c2)(C(=O)[O-])CC1 O=C([O-])[*:1] CN(C)c1nccnc1N1CCC(CC1)(Oc1ccc2ccccc2c1)[*:1]
CN(C)c1nccnc1N1CCC(Oc2ccc3ccccc3c2)(C(=O)[O-])CC1 CN(C)[*:1] O=C([O-])C1(CCN(CC1)c1nccnc1[*:1])Oc1ccc2ccccc2c1
O=C(NCCCOC1CCCCC1)c1cc(Cl)ccc1-n1cnnn1 c1nnnn1[*:1] O=C(NCCCOC1CCCCC1)c1cc(Cl)ccc1[*:1]
O=C(NCCCOC1CCCCC1)c1cc(Cl)ccc1-n1cnnn1 C1CCC(CC1)O[*:1] O=C(NCCC[*:1])c1cc(Cl)ccc1-n1cnnn1
O=C(NCCCOC1CCCCC1)c1cc(Cl)ccc1-n1cnnn1 C1CCC(CC1)[*:1] O=C(NCCCO[*:1])c1cc(Cl)ccc1-n1cnnn1
O=C(NCCCOC1CCCCC1)c1cc(Cl)ccc1-n1cnnn1 C1CCC(CC1)OC[*:1] O=C(NCC[*:1])c1cc(Cl)ccc1-n1cnnn1
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)NNC(=O)Nc1ccc(F)cc1)[*:1]
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)NNC(=O)N[*:1]
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)Nc1ccc(F)cc1
CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2-n2cccc2)C1 CC(=O)N1CC[C@@H](C1)[*:1] O=C(Nc1ccc(Cl)cc1-n1cccc1)N[*:1]
CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2-n2cccc2)C1 c1ccn(c1)[*:1] CC(=O)N1CC[C@H](C1)NC(=O)Nc1ccc(Cl)cc1[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)NCC(F)(F)F CC[C@H](C)[*:1] NC(=O)N[C@H](C(=O)NCC(F)(F)F)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)NCC(F)(F)F NC(=O)N[*:1] CC[C@H](C)[C@H](C(=O)NCC(F)(F)F)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] CC[C@H](C)[C@H](NC(N)=O)C(=O)N[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)NCC(F)(F)F FC(F)(F)[*:1] CC[C@H](C)[C@H](NC(N)=O)C(=O)NC[*:1]
Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1O Cc1ccc(cc1O)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1sccc1C(N)=O
Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1O NC(=O)c1ccsc1[*:1] Cc1ccc(cc1O)C(=O)O[C@H](C)C(=O)N[*:1]
Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)cc1O NC(=O)[*:1] Cc1ccc(cc1O)C(=O)O[C@H](C)C(=O)Nc1sccc1[*:1]
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CS[*:1]
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 Clc1ccc(cc1Cl)[*:1] CN(CC(=O)N[*:1])C(=O)CSc1ccc(cc1)[N+](=O)[O-]
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccc(cc1)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[C@@]1(O)CCSC1 c1cncc(c1)[*:1] Cc1nn(C)c(O[*:1])c1C[NH2+]C[C@@]1(O)CCSC1
Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[C@@]1(O)CCSC1 c1cncc(c1)O[*:1] Cc1nn(C)c(c1C[NH2+]C[C@@]1(O)CCSC1)[*:1]
CN(Cc1ccsc1)C(=O)c1cccc(-n2cnnn2)c1 c1cc(cs1)C[*:1] CN(C(=O)c1cccc(c1)-n1cnnn1)[*:1]
CN(Cc1ccsc1)C(=O)c1cccc(-n2cnnn2)c1 c1cc(cs1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)-n1cnnn1
CN(Cc1ccsc1)C(=O)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] CN(Cc1ccsc1)C(=O)c1cccc(c1)[*:1]
Cc1ccc(CNc2nnnn2-c2ccccc2)c(OC[C@@H]2CCOC2)c1 c1ccc(cc1)[*:1] Cc1ccc(CNc2nnnn2[*:1])c(c1)OC[C@@H]1CCOC1
CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2cccs2)C2CC2)c1 c1csc(c1)C[*:1] CCS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(C1CC1)[*:1]
CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2cccs2)C2CC2)c1 c1csc(c1)[*:1] CCS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(C[*:1])C1CC1
CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2cccs2)C2CC2)c1 C1CC1[*:1] CCS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(Cc1cccs1)[*:1]
CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2cccs2)C2CC2)c1 CCS(=O)(=O)[*:1] O=C(c1cc(ccc1Cl)[*:1])N(Cc1cccs1)C1CC1
CC(C)(CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)C(N)=O CC(C)(C[*:1])C(N)=O O=C(NC[C@H]1CCN(C1)c1ccccc1)N[*:1]
CC(C)(CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)C(N)=O CC(C)(C(N)=O)[*:1] O=C(NC[C@H]1CCN(C1)c1ccccc1)NC[*:1]
CC(C)(CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)C(N)=O c1ccc(cc1)[*:1] CC(C)(CNC(=O)NC[C@H]1CCN(C1)[*:1])C(N)=O
CC(C)(CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)C(N)=O NC(=O)[*:1] CC(C)(CNC(=O)NC[C@H]1CCN(C1)c1ccccc1)[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H](C)c1cc2ccccc2o1 CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)c1cc2ccccc2o1)[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H](C)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)[*:1])C(=O)N(C)C
Cc1cccc2c1N(C(=O)c1cc(S(=O)(=O)N(C)C)oc1C)CCC2 CN(C)S(=O)(=O)[*:1] Cc1cccc2CCCN(C(=O)c3cc(oc3C)[*:1])c12
CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-n3cccc3)c2=S)cc1 CC(=O)N[*:1] O=C(Cn1nc(-c2ccccc2)n(c1=S)-n1cccc1)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-n3cccc3)c2=S)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(Cn1nc(-c2ccccc2)n(c1=S)-n1cccc1)N[*:1]
CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-n3cccc3)c2=S)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)Cn1nc(n(c1=S)-n1cccc1)[*:1]
COc1ccc(-c2nc3ccc(C)cc3[nH]2)c(C(=O)[O-])c1OC O=C([O-])[*:1] COc1ccc(-c2nc3ccc(C)cc3[nH]2)c(c1OC)[*:1]
CCCCc1noc(CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)n1 CCCCc1noc(n1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1cc2ccccc2o1
CCCCc1noc(CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)n1 c1ccc2oc(cc2c1)[*:1] CCCCc1noc(CN2C(=O)N[C@](C)(C2=O)[*:1])n1
CCCCc1noc(CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)n1 CCCC[*:1] C[C@@]1(NC(=O)N(Cc2nc(no2)[*:1])C1=O)c1cc2ccccc2o1
CCCCc1noc(CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)n1 CCC[*:1] C[C@@]1(NC(=O)N(Cc2nc(C[*:1])no2)C1=O)c1cc2ccccc2o1
CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C(N)=O)c1cccc(F)c1 NC(=O)[*:1] CN(CCn1cc(ccc1=O)[N+](=O)[O-])[C@@H](c1cccc(F)c1)[*:1]
CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C(N)=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(CCn1cc(ccc1=O)[N+](=O)[O-])[C@@H](C(N)=O)[*:1]
CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C(N)=O)c1cccc(F)c1 O=[N+]([O-])[*:1] CN(CCn1cc(ccc1=O)[*:1])[C@@H](C(N)=O)c1cccc(F)c1
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1cccc2c1C(=O)NC2 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)Nc1cccc2CNC(=O)c21)[*:1]
CC(C)(C)S(=O)(=O)CCNC(=O)N1CCCCC[C@H]1c1ccccc1 CC(C)(C)S(=O)(=O)[*:1] O=C(NCC[*:1])N1CCCCC[C@H]1c1ccccc1
CC(C)(C)S(=O)(=O)CCNC(=O)N1CCCCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)S(=O)(=O)CCNC(=O)N1CCCCC[C@@H]1[*:1]
CC(C)(C)S(=O)(=O)CCNC(=O)N1CCCCC[C@H]1c1ccccc1 CC(C)(C)[*:1] O=C(NCCS(=O)(=O)[*:1])N1CCCCC[C@H]1c1ccccc1
CC(C)(C)S(=O)(=O)CCNC(=O)N1CCCCC[C@H]1c1ccccc1 CC(C)(C)S(=O)(=O)C[*:1] O=C(NC[*:1])N1CCCCC[C@H]1c1ccccc1
O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 O=[N+]([O-])[*:1] O=C(c1cc2ccccc2o1)N1CCN(CC1)c1ccc(c(c1)NCc1ccco1)[*:1]
O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 c1coc(c1)C[*:1] O=C(c1cc2ccccc2o1)N1CCN(CC1)c1ccc(c(c1)N[*:1])[N+](=O)[O-]
O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 c1coc(c1)CN[*:1] O=C(c1cc2ccccc2o1)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 c1ccc2oc(cc2c1)[*:1] O=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccco1)[N+](=O)[O-])[*:1]
O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 c1coc(c1)[*:1] O=C(c1cc2ccccc2o1)N1CCN(CC1)c1ccc(c(c1)NC[*:1])[N+](=O)[O-]
CCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl FC(F)(F)CC[*:1] CCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)[*:1]
CCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl FC(F)(F)C[*:1] CCN(C[*:1])C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
CCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl FC(F)(F)[*:1] CCN(CC[*:1])C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
O=C(Cc1ccsc1)Nc1cc(Cl)ccc1N1CCOCC1 c1cc(cs1)C[*:1] O=C(Nc1cc(Cl)ccc1N1CCOCC1)[*:1]
O=C(Cc1ccsc1)Nc1cc(Cl)ccc1N1CCOCC1 c1cc(cs1)[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1N1CCOCC1
O=C(Cc1ccsc1)Nc1cc(Cl)ccc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(Cc1ccsc1)Nc1cc(Cl)ccc1[*:1]
C[NH2+][C@H](C1CCCC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 C1CCC(C1)[*:1] C[NH2+][C@H]([C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
C[NH2+][C@H](C1CCCC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[NH2+][C@H](C1CCCC1)[C@H]1CCC[C@H](C1)[*:1]
Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 Cc1cccc(c1)[*:1] Cc1c(NC(=O)[C@@H](C)OC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
COc1ccc2[nH]cc(C(=O)NC[C@@H]3CCCO3)c(=O)c2c1 C1CO[C@@H](C1)C[*:1] COc1ccc2[nH]cc(C(=O)N[*:1])c(=O)c2c1
COc1ccc2[nH]cc(C(=O)NC[C@@H]3CCCO3)c(=O)c2c1 C1CO[C@@H](C1)[*:1] COc1ccc2[nH]cc(C(=O)NC[*:1])c(=O)c2c1
CSc1nc(C(C)C)nc(C)c1C(=O)N(C)Cc1sccc1C Cc1ccsc1C[*:1] CSc1nc(nc(C)c1C(=O)N(C)[*:1])C(C)C
CSc1nc(C(C)C)nc(C)c1C(=O)N(C)Cc1sccc1C CC(C)[*:1] CSc1nc(nc(C)c1C(=O)N(C)Cc1sccc1C)[*:1]
CSc1nc(C(C)C)nc(C)c1C(=O)N(C)Cc1sccc1C Cc1ccsc1[*:1] CSc1nc(nc(C)c1C(=O)N(C)C[*:1])C(C)C
O=C(NCCCO)c1ccc(Sc2ccc(Cl)cc2)cc1 OCC[*:1] O=C(NC[*:1])c1ccc(cc1)Sc1ccc(Cl)cc1
O=C(NCCCO)c1ccc(Sc2ccc(Cl)cc2)cc1 OCCC[*:1] O=C(N[*:1])c1ccc(cc1)Sc1ccc(Cl)cc1
O=C(NCCCO)c1ccc(Sc2ccc(Cl)cc2)cc1 O=C(NCCCO)[*:1] Clc1ccc(cc1)Sc1ccc(cc1)[*:1]
O=C(NCCCO)c1ccc(Sc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] O=C(NCCCO)c1ccc(cc1)S[*:1]
Cc1n[nH]c(O)c1[C@H](c1ccc(OCc2ccccc2F)cc1)c1c(O)n[nH]c1C Fc1ccccc1C[*:1] Cc1n[nH]c(O)c1[C@H](c1ccc(cc1)O[*:1])c1c(O)n[nH]c1C
Cc1n[nH]c(O)c1[C@H](c1ccc(OCc2ccccc2F)cc1)c1c(O)n[nH]c1C Fc1ccccc1CO[*:1] Cc1n[nH]c(O)c1[C@H](c1ccc(cc1)[*:1])c1c(O)n[nH]c1C
Cc1n[nH]c(O)c1[C@H](c1ccc(OCc2ccccc2F)cc1)c1c(O)n[nH]c1C Fc1ccccc1[*:1] Cc1n[nH]c(O)c1[C@H](c1ccc(cc1)OC[*:1])c1c(O)n[nH]c1C
O=C(OCc1cc(-c2ccco2)on1)c1ccccc1S(=O)(=O)C(F)F O=S(=O)(C(F)F)[*:1] O=C(OCc1cc(on1)-c1ccco1)c1ccccc1[*:1]
O=C(OCc1cc(-c2ccco2)on1)c1ccccc1S(=O)(=O)C(F)F FC(F)[*:1] O=C(OCc1cc(on1)-c1ccco1)c1ccccc1S(=O)(=O)[*:1]
O=C(OCc1cc(-c2ccco2)on1)c1ccccc1S(=O)(=O)C(F)F c1coc(c1)[*:1] O=C(OCc1cc(on1)[*:1])c1ccccc1S(=O)(=O)C(F)F
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)C3)cc2)c1C Cc1cccc(c1C)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)(C(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)(C(=O)Nc1ccc(cc1)C(N)=O)S(=O)(=O)[*:1]
CC(C)(C(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(Br)cc1 NC(=O)[*:1] CC(C)(C(=O)Nc1ccc(cc1)[*:1])S(=O)(=O)c1ccc(Br)cc1
C[C@H](c1ccccc1)N(C)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] C[C@H](c1ccccc1)N(C)S(=O)(=O)[*:1]
C[C@H](c1ccccc1)N(C)S(=O)(=O)c1cccs1 c1ccc(cc1)[*:1] C[C@H](N(C)S(=O)(=O)c1cccs1)[*:1]
CCC(CC)N1C[C@@H]([C@H](C)CC)[NH2+]Cc2ccccc21 CC[C@@H](C)[*:1] CCC(CC)N1C[C@@H]([NH2+]Cc2ccccc21)[*:1]
CCC(CC)N1C[C@@H]([C@H](C)CC)[NH2+]Cc2ccccc21 CCC(CC)[*:1] CC[C@@H](C)[C@@H]1CN(c2ccccc2C[NH2+]1)[*:1]
COc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc(OC)c1OC(C)=O CC(=O)O[*:1] COc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc(OC)c1[*:1]
Cc1cscc1CN1C(=O)C(C)(C)NC(=O)[C@@H]1C(C)C CC(C)[*:1] Cc1cscc1CN1C(=O)C(C)(C)NC(=O)[C@H]1[*:1]
Cc1cscc1CN1C(=O)C(C)(C)NC(=O)[C@@H]1C(C)C Cc1cscc1[*:1] CC(C)[C@H]1C(=O)NC(C)(C)C(=O)N1C[*:1]
COc1cc(Cl)c(C)cc1NC(=O)C[C@H](NC(N)=O)c1cccs1 NC(=O)N[*:1] COc1cc(Cl)c(C)cc1NC(=O)C[C@H](c1cccs1)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)C[C@H](NC(N)=O)c1cccs1 c1csc(c1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)C[C@H](NC(N)=O)[*:1]
CN(Cc1nnc2n1CCC2)C(=O)Nc1nnc(C2CC2)s1 C1CC1[*:1] CN(Cc1nnc2CCCn21)C(=O)Nc1nnc(s1)[*:1]
NC(=O)[C@@]1([NH3+])CCC[C@H](n2cc(-c3ccccc3)cn2)C1 c1ccc(cc1)[*:1] NC(=O)[C@@]1([NH3+])CCC[C@@H](C1)n1cc(cn1)[*:1]
NC(=O)[C@@]1([NH3+])CCC[C@H](n2cc(-c3ccccc3)cn2)C1 NC(=O)[*:1] [NH3+][C@]1(CCC[C@@H](C1)n1cc(cn1)-c1ccccc1)[*:1]
Cc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C1)O2 CS(=O)(=O)N1CCC(CC1)[*:1] Cc1ccc2O[C@H](CC(=O)c2c1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1nc(NC(=O)[C@H](C)Sc2nnc3cc(C)c4ccccc4n23)sc1C Cc1nc(sc1C)[*:1] Cc1cc2nnc(S[C@@H](C)C(=O)N[*:1])n2c2ccccc12
CCc1nn(C)cc1CNC(=O)c1ccc(-c2ccccc2)n1C CCc1nn(C)cc1[*:1] Cn1c(ccc1-c1ccccc1)C(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)c1ccc(-c2ccccc2)n1C c1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)c1ccc(n1C)[*:1]
O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc2c(c1)OCCCO2 c1ccc2sc(nc2c1)[*:1] O=C(CCC(=O)N1CCC[C@H]1[*:1])c1ccc2OCCCOc2c1
CC(C)c1ccc(C=NNC(=O)c2ccc(Cn3cccn3)o2)cc1 c1cnn(c1)C[*:1] CC(C)c1ccc(C=NNC(=O)c2ccc(o2)[*:1])cc1
CC(C)c1ccc(C=NNC(=O)c2ccc(Cn3cccn3)o2)cc1 CC(C)[*:1] O=C(NN=Cc1ccc(cc1)[*:1])c1ccc(Cn2cccn2)o1
CC(C)c1ccc(C=NNC(=O)c2ccc(Cn3cccn3)o2)cc1 c1cnn(c1)[*:1] CC(C)c1ccc(C=NNC(=O)c2ccc(C[*:1])o2)cc1
COc1cccc2cc(C(=O)N3CCC(Oc4nc5ccccc5s4)CC3)oc12 c1ccc2sc(nc2c1)[*:1] COc1cccc2cc(oc12)C(=O)N1CCC(CC1)O[*:1]
Cc1nc(C2CCCC2)sc1C(=O)NCCNC(=O)C1CC1 C1CC1[*:1] Cc1nc(sc1C(=O)NCCNC(=O)[*:1])C1CCCC1
Cc1nc(C2CCCC2)sc1C(=O)NCCNC(=O)C1CC1 C1CCC(C1)[*:1] Cc1nc(sc1C(=O)NCCNC(=O)C1CC1)[*:1]
Cc1nc(C2CCCC2)sc1C(=O)NCCNC(=O)C1CC1 O=C(NC[*:1])C1CC1 Cc1nc(sc1C(=O)NC[*:1])C1CCCC1
Cc1nc(C2CCCC2)sc1C(=O)NCCNC(=O)C1CC1 O=C(N[*:1])C1CC1 Cc1nc(sc1C(=O)NCC[*:1])C1CCCC1
O=C(Cc1ccc(-n2cccc2)cc1)NCCOc1ccc(F)cc1 c1ccn(c1)[*:1] O=C(Cc1ccc(cc1)[*:1])NCCOc1ccc(F)cc1
O=C(Cc1ccc(-n2cccc2)cc1)NCCOc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] O=C(Cc1ccc(cc1)-n1cccc1)NCC[*:1]
O=C(Cc1ccc(-n2cccc2)cc1)NCCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)-n1cccc1)NCCO[*:1]
CCc1ccccc1CNC(=O)NC[C@H](C)C[C@@H](C)O C[C@@H](O)[*:1] CCc1ccccc1CNC(=O)NC[C@H](C)C[*:1]
CCc1ccccc1CNC(=O)NC[C@H](C)C[C@@H](C)O C[C@@H](O)C[*:1] CCc1ccccc1CNC(=O)NC[C@H](C)[*:1]
O=C1C[C@H]([C@@H]2CCOC2)[C@H](c2cccc(F)c2)C(=O)N1 C1C[C@H](CO1)[*:1] O=C1C[C@H]([C@@H](C(=O)N1)c1cccc(F)c1)[*:1]
Cc1cc(NC(=O)CCCS(=O)(=O)c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CCCS(=O)(=O)c2ccccc2)n(n1)[*:1]
Cc1cc(NC(=O)CCCS(=O)(=O)c2ccccc2)n(-c2ccccc2)n1 O=S(=O)(c1ccccc1)[*:1] Cc1cc(NC(=O)CCC[*:1])n(n1)-c1ccccc1
Cc1cc(NC(=O)CCCS(=O)(=O)c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CCCS(=O)(=O)[*:1])n(n1)-c1ccccc1
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C[*:1]
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1 CCCC[*:1] CN(Cc1ccccc1)C(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1 CCC[*:1] CN(Cc1ccccc1)C(=O)[C@H]1CCCN1S(=O)(=O)C[*:1]
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccnc1-n1cccn1 c1cnn(c1)[*:1] CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccnc1[*:1]
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccnc1-n1cccn1 CC(C)[*:1] O=C(N[C@H](C(=O)Nc1cccnc1-n1cccn1)[*:1])c1ccccc1Cl
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccnc1-n1cccn1 Clc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1cccnc1-n1cccn1
O=C(NNc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 c1csc(c1)[*:1] O=C(NNc1ccccc1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(NNc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 c1ccc(cc1)[*:1] O=C(NN[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1cccs1
CC(C)c1ccc(N2C[C@H](c3nc(-c4ccccn4)no3)CC2=O)cc1 c1ccc(nc1)[*:1] CC(C)c1ccc(cc1)N1C[C@@H](CC1=O)c1nc(no1)[*:1]
CC(C)c1ccc(N2C[C@H](c3nc(-c4ccccn4)no3)CC2=O)cc1 CC(C)[*:1] O=C1C[C@H](CN1c1ccc(cc1)[*:1])c1nc(no1)-c1ccccn1
CCN(Cc1cccc(C)n1)C(=O)c1ccc(F)cc1N Cc1cccc(n1)[*:1] CCN(C[*:1])C(=O)c1ccc(F)cc1N
CC[C@@H](CCO)NC(=O)N[C@H]1CCCc2ccc(F)cc21 CC[C@@H](CCO)[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)N[*:1]
CC[C@@H](CCO)NC(=O)N[C@H]1CCCc2ccc(F)cc21 OCC[*:1] CC[C@@H](NC(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
COc1ccc2[nH]cc(C(=O)N(C)Cc3ccccc3)c(=O)c2c1 c1ccc(cc1)[*:1] COc1ccc2[nH]cc(C(=O)N(C)C[*:1])c(=O)c2c1
COc1ccc2[nH]cc(C(=O)N(C)Cc3ccccc3)c(=O)c2c1 c1ccc(cc1)C[*:1] COc1ccc2[nH]cc(C(=O)N(C)[*:1])c(=O)c2c1
Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc(F)c1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)Nc1cccc(F)c1)[*:1]
COc1cc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])C(=O)N1CC[C@H](C(N)=O)c2ccccc21
COc1cc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)ccc1[N+](=O)[O-] NC(=O)[*:1] COc1cc(ccc1[N+](=O)[O-])C(=O)N1CC[C@H](c2ccccc21)[*:1]
COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 COc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1
COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Cn1cc(NC(=O)Nc2ccccc2Cl)cn1)NCCO OCC[*:1] O=C(Cn1cc(cn1)NC(=O)Nc1ccccc1Cl)N[*:1]
O=C(Cn1cc(NC(=O)Nc2ccccc2Cl)cn1)NCCO O=C(NCCO)[*:1] O=C(Nc1cnn(c1)C[*:1])Nc1ccccc1Cl
O=C(Cn1cc(NC(=O)Nc2ccccc2Cl)cn1)NCCO O=C(C[*:1])NCCO O=C(Nc1cnn(c1)[*:1])Nc1ccccc1Cl
O=C(Cn1cc(NC(=O)Nc2ccccc2Cl)cn1)NCCO Clc1ccccc1[*:1] O=C(Cn1cc(cn1)NC(=O)N[*:1])NCCO
O=C(NCc1ccccn1)c1cccc(OCc2cn3ccccc3n2)c1 c1ccn2cc(nc2c1)[*:1] O=C(NCc1ccccn1)c1cccc(c1)OC[*:1]
O=C(NCc1ccccn1)c1cccc(OCc2cn3ccccc3n2)c1 c1ccc(nc1)[*:1] O=C(NC[*:1])c1cccc(c1)OCc1cn2ccccc2n1
O=C(NCc1ccccn1)c1cccc(OCc2cn3ccccc3n2)c1 c1ccc(C[*:1])nc1 O=C(N[*:1])c1cccc(c1)OCc1cn2ccccc2n1
O=C(Cc1cccc(Cl)c1)N[C@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Cc1cccc(Cl)c1)N[C@H]1CCCCC[C@H]1[*:1]
O=C(Cc1cccc(Cl)c1)N[C@H]1CCCCC[C@@H]1C(=O)[O-] Clc1cccc(c1)[*:1] O=C(C[*:1])N[C@H]1CCCCC[C@@H]1C(=O)[O-]
C[C@@H]1CN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])CCO1 O=[N+]([O-])[*:1] C[C@@H]1CN(CCO1)C(=O)COc1cc(F)ccc1[*:1]
NC(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1C[*:1]
NC(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1 NC(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H]1Cc1ccc(F)cc1
NC(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] NC(=O)c1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
C#Cc1cccc(NC(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N[*:1]
C#Cc1cccc(NC(C)C)c1 CC(C)N[*:1] C#Cc1cccc(c1)[*:1]
CC(C)CN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)CN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)CN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)[*:1]
CC(C)CN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 CC(C)C[*:1] O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(Cl)cc1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 O=[N+]([O-])[*:1] COc1ccc(Cl)cc1CN(C)C(=O)c1cc(c(C)s1)[*:1]
C[C@@](O)(CNC(=O)C1=Cc2cc(Cl)ccc2OC1)c1cccs1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)C1=Cc2cc(Cl)ccc2OC1)[*:1]
COc1ccc(/C=C2\SC(=O)N(CCOc3cccc(C)c3)C2=O)c(OC)c1 Cc1cccc(c1)O[*:1] COc1ccc(/C=C2\SC(=O)N(CC[*:1])C2=O)c(c1)OC
COc1ccc(/C=C2\SC(=O)N(CCOc3cccc(C)c3)C2=O)c(OC)c1 Cc1cccc(c1)OC[*:1] COc1ccc(/C=C2\SC(=O)N(C[*:1])C2=O)c(c1)OC
COc1ccc(/C=C2\SC(=O)N(CCOc3cccc(C)c3)C2=O)c(OC)c1 Cc1cccc(c1)[*:1] COc1ccc(/C=C2\SC(=O)N(CCO[*:1])C2=O)c(c1)OC
COC(=O)/C=C1\C(=O)N(c2nc3ccccc3s2)C(=S)N1c1ccc(F)cc1 c1ccc2sc(nc2c1)[*:1] COC(=O)/C=C1\C(=O)N(C(=S)N1c1ccc(F)cc1)[*:1]
COC(=O)/C=C1\C(=O)N(c2nc3ccccc3s2)C(=S)N1c1ccc(F)cc1 COC(=O)[*:1] O=C1C(=C[*:1])N(C(=S)N1c1nc2ccccc2s1)c1ccc(F)cc1
COC(=O)/C=C1\C(=O)N(c2nc3ccccc3s2)C(=S)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)/C=C1\C(=O)N(C(=S)N1[*:1])c1nc2ccccc2s1
C(=N/c1cccn2cc(-c3ccccc3)nc12)\c1cccs1 c1ccc(cc1)[*:1] C(=N/c1cccn2cc(nc12)[*:1])\c1cccs1
C(=N/c1cccn2cc(-c3ccccc3)nc12)\c1cccs1 c1csc(c1)[*:1] C(=Nc1cccn2cc(nc12)-c1ccccc1)[*:1]
C(=N/c1cccn2cc(-c3ccccc3)nc12)\c1cccs1 C(=N[*:1])c1cccs1 c1ccc(cc1)-c1cn2cccc(c2n1)[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]2CCC[C@H]21 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)N1CCC[C@H]2CCC[C@H]21)[*:1]
CCN(CC1CC1)C(=O)c1csc(C#CCN)c1 C1CC1C[*:1] CCN(C(=O)c1csc(C#CCN)c1)[*:1]
CCN(CC1CC1)C(=O)c1csc(C#CCN)c1 NCC#C[*:1] CCN(CC1CC1)C(=O)c1csc(c1)[*:1]
CCN(CC1CC1)C(=O)c1csc(C#CCN)c1 C1CC1[*:1] CCN(C[*:1])C(=O)c1csc(C#CCN)c1
Cc1ccoc1[C@H](C)NC[C@H](O)c1c(Cl)cccc1Cl Cc1ccoc1[*:1] C[C@H](NC[C@H](O)c1c(Cl)cccc1Cl)[*:1]
CC[NH+](CC)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@@H](C)c1nc(N)nc(n1)N[*:1]
CC[NH+](CC)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] CC[NH+](CC)[C@@H](C)c1nc(N)nc(n1)[*:1]
CC(=O)NCCSC1=c2ccccc2=[NH+][C@@H]1C CC(=O)NC[*:1] C[C@H]1[NH+]=c2ccccc2=C1SC[*:1]
CC(=O)NCCSC1=c2ccccc2=[NH+][C@@H]1C CC(=O)N[*:1] C[C@H]1[NH+]=c2ccccc2=C1SCC[*:1]
C[NH+](CCNC(=O)NCc1ccco1)Cc1ccccc1 c1coc(c1)[*:1] C[NH+](CCNC(=O)NC[*:1])Cc1ccccc1
C[NH+](CCNC(=O)NCc1ccco1)Cc1ccccc1 c1coc(c1)C[*:1] C[NH+](CCNC(=O)N[*:1])Cc1ccccc1
C[NH+](CCNC(=O)NCc1ccco1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](CCNC(=O)NCc1ccco1)[*:1]
C[NH+](CCNC(=O)NCc1ccco1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](CCNC(=O)NCc1ccco1)C[*:1]
CC(=O)N1N=C(c2ccco2)C[C@H]1c1cc2cc(C)ccc2[nH]c1=O c1coc(c1)[*:1] CC(=O)N1N=C(C[C@H]1c1cc2cc(C)ccc2[nH]c1=O)[*:1]
O=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 c1cc(ccn1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1
O=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 c1cc(ccn1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1
C[C@]1(C(=O)NCCn2cc(C(=O)[O-])nn2)CCCO1 C[C@@]1(CCCO1)[*:1] O=C([O-])c1cn(CCNC(=O)[*:1])nn1
C[C@]1(C(=O)NCCn2cc(C(=O)[O-])nn2)CCCO1 O=C([O-])[*:1] C[C@@]1(CCCO1)C(=O)NCCn1cc(nn1)[*:1]
Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)c1cc(=O)c2ccccc2o1 Cc1ccccc1[*:1] CC1(C)Cc2c(cnn2[*:1])[C@H](C1)NC(=O)c1cc(=O)c2ccccc2o1
CC(C)c1csc([C@H](C#N)C(=O)c2ccc3ccccc3n2)n1 CC(C)[*:1] N#C[C@H](C(=O)c1ccc2ccccc2n1)c1nc(cs1)[*:1]
COC[C@@H](C)CC(=O)N1CCC[C@H]1CCCO OCCC[*:1] COC[C@@H](C)CC(=O)N1CCC[C@@H]1[*:1]
COC[C@@H](C)CC(=O)N1CCC[C@H]1CCCO COC[C@@H](C)[*:1] O=C(C[*:1])N1CCC[C@H]1CCCO
COC[C@@H](C)CC(=O)N1CCC[C@H]1CCCO COC[*:1] C[C@@H](CC(=O)N1CCC[C@H]1CCCO)[*:1]
COC[C@@H](C)CC(=O)N1CCC[C@H]1CCCO OCC[*:1] COC[C@@H](C)CC(=O)N1CCC[C@H]1C[*:1]
O=C1CN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)c2ccccc2N1 c1coc(c1)[*:1] O=C1CN(C(=O)c2cc(n(n2)-c2ccc(Cl)cc2)[*:1])c2ccccc2N1
O=C1CN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)c2ccccc2N1 Clc1ccc(cc1)[*:1] O=C1CN(C(=O)c2cc(-c3ccco3)n(n2)[*:1])c2ccccc2N1
CCCCN(CCO)C(=O)N[C@H](C)C(C)C OCC[*:1] CCCCN(C(=O)N[C@H](C)C(C)C)[*:1]
CCCCN(CCO)C(=O)N[C@H](C)C(C)C CCC[*:1] CC(C)[C@@H](C)NC(=O)N(CCO)C[*:1]
CCCCN(CCO)C(=O)N[C@H](C)C(C)C CCCC[*:1] CC(C)[C@@H](C)NC(=O)N(CCO)[*:1]
CCCCN(CCO)C(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CCCCN(CCO)C(=O)N[*:1]
CCCCN(CCO)C(=O)N[C@H](C)C(C)C CC(C)[*:1] CCCCN(CCO)C(=O)N[C@H](C)[*:1]
Cn1cc(/C=C2\Cc3cc4c(cc3C2=O)OCCO4)c(-c2ccncc2)n1 c1cc(ccn1)[*:1] Cn1cc(/C=C2\Cc3cc4OCCOc4cc3C2=O)c(n1)[*:1]
CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] CN(C(=O)/C=C/c1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc(-c2nc([C@H](C)CN(C)C(=O)OC(C)(C)C)no2)c(C)o1 CC(C)(C)[*:1] Cc1cc(-c2nc(no2)[C@H](C)CN(C)C(=O)O[*:1])c(C)o1
Cc1cc(-c2nc([C@H](C)CN(C)C(=O)OC(C)(C)C)no2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](CN(C)C(=O)OC(C)(C)C)c1noc(n1)[*:1]
CCC(C)(C)c1ccc(OC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 CCC(C)(C)[*:1] O=C(C[C@@H]1CCS(=O)(=O)C1)Oc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)NCC(=O)NC)cc1C CNC(=O)[*:1] CCOc1ccc(cc1C)NC(=O)NC[*:1]
CCOc1ccc(NC(=O)NCC(=O)NC)cc1C CCO[*:1] CNC(=O)CNC(=O)Nc1ccc(c(C)c1)[*:1]
CCOc1ccc(NC(=O)NCC(=O)NC)cc1C CNC(=O)C[*:1] CCOc1ccc(cc1C)NC(=O)N[*:1]
CCCC[C@H]1NC(=O)N(Cc2cnc(Cl)s2)C1=O CCC[*:1] O=C1N[C@H](C[*:1])C(=O)N1Cc1cnc(Cl)s1
CCCC[C@H]1NC(=O)N(Cc2cnc(Cl)s2)C1=O Clc1ncc(s1)[*:1] CCCC[C@H]1NC(=O)N(C[*:1])C1=O
CCCC[C@H]1NC(=O)N(Cc2cnc(Cl)s2)C1=O CCCC[*:1] O=C1N[C@@H](C(=O)N1Cc1cnc(Cl)s1)[*:1]
Cc1ccc(C(=O)N(C)CCC(F)(F)F)c(NN)c1 FC(F)(F)[*:1] Cc1ccc(C(=O)N(C)CC[*:1])c(c1)NN
Cc1ccc(C(=O)N(C)CCC(F)(F)F)c(NN)c1 FC(F)(F)C[*:1] Cc1ccc(C(=O)N(C)C[*:1])c(c1)NN
Cc1ccc(C(=O)N(C)CCC(F)(F)F)c(NN)c1 FC(F)(F)CC[*:1] Cc1ccc(C(=O)N(C)[*:1])c(c1)NN
Cc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccco2)ccc1=O Cc1ccc(Cl)cc1[*:1] O=C(Cn1nc(ccc1=O)-c1ccco1)N[*:1]
Cc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccco2)ccc1=O c1coc(c1)[*:1] Cc1ccc(Cl)cc1NC(=O)Cn1nc(ccc1=O)[*:1]
CC(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 CC(=O)O[*:1] O=c1cc(C[*:1])nc2sc(nn12)C1CCCCC1
CC(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 C1CCC(CC1)[*:1] CC(=O)OCc1cc(=O)n2nc(sc2n1)[*:1]
CC(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 CC(=O)OC[*:1] O=c1cc(nc2sc(nn12)C1CCCCC1)[*:1]
O=C(NCCc1ccc(C(F)(F)F)cc1)n1ccnc1 FC(F)(F)[*:1] O=C(NCCc1ccc(cc1)[*:1])n1ccnc1
O=C([O-])C1=CCc2ccccc21 O=C([O-])[*:1] C1Cc2ccccc2C=1[*:1]
O=C([O-])C[C@H](C(=O)OC[C@@H]1CCCO1)[NH+]1CCOCC1 O=C([O-])C[*:1] O=C(OC[C@@H]1CCCO1)[C@H]([NH+]1CCOCC1)[*:1]
O=C([O-])C[C@H](C(=O)OC[C@@H]1CCCO1)[NH+]1CCOCC1 C1CO[C@@H](C1)C[*:1] O=C([O-])C[C@H](C(=O)O[*:1])[NH+]1CCOCC1
O=C([O-])C[C@H](C(=O)OC[C@@H]1CCCO1)[NH+]1CCOCC1 O=C([O-])[*:1] O=C(OC[C@@H]1CCCO1)[C@@H](C[*:1])[NH+]1CCOCC1
O=C([O-])C[C@H](C(=O)OC[C@@H]1CCCO1)[NH+]1CCOCC1 C1CO[C@@H](C1)[*:1] O=C([O-])C[C@H](C(=O)OC[*:1])[NH+]1CCOCC1
Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)sc1C(=O)[O-] FC(F)O[*:1] Cc1cc(sc1C(=O)[O-])S(=O)(=O)[N-]c1ccccc1[*:1]
Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)sc1C(=O)[O-] FC(F)[*:1] Cc1cc(sc1C(=O)[O-])S(=O)(=O)[N-]c1ccccc1O[*:1]
Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)sc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(sc1[*:1])S(=O)(=O)[N-]c1ccccc1OC(F)F
CC(C)N(Cc1ccccc1)C(=O)COc1ccc2c(c1)OCO2 CC(C)[*:1] O=C(COc1ccc2OCOc2c1)N(Cc1ccccc1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)COc1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] CC(C)N(C(=O)COc1ccc2OCOc2c1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)COc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)COc1ccc2OCOc2c1
CCC(CC)(CC)[NH2+]Cc1cncn1C1CC1 C1CC1[*:1] CCC(CC)(CC)[NH2+]Cc1cncn1[*:1]
Cc1c(C)n(Cc2ccco2)c2ncn3nc(-c4cccs4)nc3c12 c1coc(c1)[*:1] Cc1c(C)n(C[*:1])c2ncn3nc(nc3c12)-c1cccs1
Cc1c(C)n(Cc2ccco2)c2ncn3nc(-c4cccs4)nc3c12 c1csc(c1)[*:1] Cc1c(C)n(Cc2ccco2)c2ncn3nc(nc3c12)[*:1]
Cc1c(C)n(Cc2ccco2)c2ncn3nc(-c4cccs4)nc3c12 c1coc(c1)C[*:1] Cc1c(C)n(c2ncn3nc(nc3c12)-c1cccs1)[*:1]
O=C(Nc1cccc(F)c1F)N1CCC(c2c[nH]c3ccccc23)CC1 Fc1cccc(c1F)[*:1] O=C(N[*:1])N1CCC(CC1)c1c[nH]c2ccccc12
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 Cc1cccc(C)c1NC(=O)[*:1] O=C(c1cccc(c1)OCc1ccccc1)N1CCN(CC1)C[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 Cc1cccc(C)c1[*:1] O=C(CN1CCN(CC1)C(=O)c1cccc(c1)OCc1ccccc1)N[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 c1ccc(cc1)C[*:1] Cc1cccc(C)c1NC(=O)CN1CCN(CC1)C(=O)c1cccc(c1)O[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 c1ccc(cc1)CO[*:1] Cc1cccc(C)c1NC(=O)CN1CCN(CC1)C(=O)c1cccc(c1)[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CN1CCN(CC1)C(=O)c1cccc(c1)OC[*:1]
Cc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCO4)cs2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc2OCOc2c1
CCc1nc(CN(C)CCS(=O)(=O)c2ccc(Cl)cc2)cs1 Clc1ccc(cc1)[*:1] CCc1nc(cs1)CN(C)CCS(=O)(=O)[*:1]
CCc1nc(CN(C)CCS(=O)(=O)c2ccc(Cl)cc2)cs1 CCc1nc(cs1)[*:1] CN(CCS(=O)(=O)c1ccc(Cl)cc1)C[*:1]
CCc1nsc(NCCS(=O)(=O)CC)n1 CCS(=O)(=O)[*:1] CCc1nsc(n1)NCC[*:1]
O=C([C@@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-])N1CCSCC1 O=C(N1CCSCC1)[*:1] O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1[*:1]
O=C([C@@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-])N1CCSCC1 O=[N+]([O-])[*:1] O=C([C@@H]1CCCN1C(=O)Cc1ccccc1[*:1])N1CCSCC1
CCc1nc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] CCc1nc(cs1)CS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)[*:1]
CCc1nc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cs1 CCc1nc(cs1)[*:1] C[C@H](NC(=O)[C@@H](C)S(=O)(=O)C[*:1])c1ccc(F)cc1
CCc1nc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cs1 CCc1nc(cs1)C[*:1] C[C@H](NC(=O)[C@@H](C)S(=O)(=O)[*:1])c1ccc(F)cc1
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC3CCC3)cc2)CC1 C1CC(C1)[*:1] C[NH+]1CCN(CC1)C(=O)Cc1ccc(cc1)NC(=O)C(=O)NC[*:1]
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC3CCC3)cc2)CC1 C1CC(C1)C[*:1] C[NH+]1CCN(CC1)C(=O)Cc1ccc(cc1)NC(=O)C(=O)N[*:1]
COCCn1cnc2sc3c(c2c1=O)CCC3 COC[*:1] O=c1c2c3CCCc3sc2ncn1C[*:1]
COCCn1cnc2sc3c(c2c1=O)CCC3 COCC[*:1] O=c1c2c3CCCc3sc2ncn1[*:1]
CCOC(=O)C1(NC(=O)[C@H]2CCCN(c3cnccn3)C2)CCCC1 CCOC(=O)[*:1] O=C(NC1(CCCC1)[*:1])[C@H]1CCCN(C1)c1cnccn1
CCOC(=O)C1(NC(=O)[C@H]2CCCN(c3cnccn3)C2)CCCC1 c1cnc(cn1)[*:1] CCOC(=O)C1(CCCC1)NC(=O)[C@H]1CCCN(C1)[*:1]
Cc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccc(Cl)cc4)CC3)OCC(=O)N2C)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1[C@@H](OCC(=O)N1C)C(=O)N1CCN(CC1)[*:1]
Cc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccc(Cl)cc4)CC3)OCC(=O)N2C)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)CO[C@@H](C(=O)N2CCN(CC2)c2ccc(Cl)cc2)[C@@H]1[*:1]
C[C@@H](NC(=O)c1ccc(Br)nc1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](NC(=O)c1ccc(Br)nc1)[*:1]
O=C(CCC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)C[*:1] O=C(CCC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1)N[*:1]
O=C(CCC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 Clc1ccc(cc1)[*:1] O=C(CCC(=O)N1CCn2cccc2[C@@H]1[*:1])NCc1cccc(c1)C(F)(F)F
O=C(CCC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(CCC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1)NC[*:1]
O=C(CCC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CCC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1)NCc1cccc(c1)[*:1]
Cc1ccc2oc(S[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)nc2c1 NC(=O)[*:1] Cc1ccc2oc(nc2c1)S[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCCCCC[C@H](C)NC(=O)Nn1cnc2ccccc21 CCCCC[*:1] C[C@@H](C[*:1])NC(=O)Nn1cnc2ccccc21
CCCCCC[C@H](C)NC(=O)Nn1cnc2ccccc21 CCC[*:1] C[C@@H](CCC[*:1])NC(=O)Nn1cnc2ccccc21
CCCCCC[C@H](C)NC(=O)Nn1cnc2ccccc21 CCCCCC[*:1] C[C@H](NC(=O)Nn1cnc2ccccc21)[*:1]
CCCCCC[C@H](C)NC(=O)Nn1cnc2ccccc21 CCCC[*:1] C[C@@H](CC[*:1])NC(=O)Nn1cnc2ccccc21
CC[NH+]1CCN(CCS(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)CCS(=O)(=O)[*:1]
COc1ccccc1[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1noc(C)n1 COc1ccccc1[*:1] Cc1nc(no1)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)[*:1]
COc1ccccc1[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1noc(C)n1 Cc1nc(no1)[*:1] COc1ccccc1[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)[*:1]
COc1ccccc1[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1noc(C)n1 Clc1ccccc1[*:1] COc1ccccc1[C@@H](NC(=O)[C@@H]1C[C@H]1[*:1])c1noc(C)n1
CCOc1ccccc1OC/C([O-])=N/c1nc(-c2ccc(C)cc2)n[nH]1 CCO[*:1] Cc1ccc(cc1)-c1n[nH]c(/N=C(\[O-])COc2ccccc2[*:1])n1
CCOc1ccccc1OC/C([O-])=N/c1nc(-c2ccc(C)cc2)n[nH]1 Cc1ccc(cc1)[*:1] CCOc1ccccc1OC/C([O-])=N/c1nc(n[nH]1)[*:1]
C[C@H](Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H](Sc1ccc(cc1)[N+](=O)[O-])[C@@H](C)[*:1]
C[C@H](Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)[O-] O=[N+]([O-])[*:1] C[C@H](Sc1ccc(cc1)[*:1])[C@@H](C)C(=O)[O-]
O=C(c1cnc2ccc(Cl)cc2c1S(=O)(=O)c1ccc(F)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=S(=O)(c1ccc(F)cc1)c1c(cnc2ccc(Cl)cc12)[*:1]
O=C(c1cnc2ccc(Cl)cc2c1S(=O)(=O)c1ccc(F)cc1)N1CCCCC1 Fc1ccc(cc1)[*:1] O=C(c1cnc2ccc(Cl)cc2c1S(=O)(=O)[*:1])N1CCCCC1
Cc1cc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)c2ncccc2c1 CC(C)[*:1] Cc1cc(NC(=O)[C@@H](N2CCCC2=O)[*:1])c2ncccc2c1
Cc1cc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)c2ncccc2c1 O=C1CCCN1[*:1] Cc1cc(NC(=O)[C@@H](C(C)C)[*:1])c2ncccc2c1
Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)s3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)s3)CC2=O)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)c1nnc(NC(=O)c2ccc(c(C)c2)[*:1])s1
Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)s3)CC2=O)cc1C Cc1cc(ccc1[N+](=O)[O-])[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])s1
Cc1nnc(N2CCC[C@@H]2C(=O)NCc2ccco2)c(C#N)c1C c1coc(c1)C[*:1] Cc1nnc(c(C#N)c1C)N1CCC[C@@H]1C(=O)N[*:1]
Cc1nnc(N2CCC[C@@H]2C(=O)NCc2ccco2)c(C#N)c1C c1coc(c1)[*:1] Cc1nnc(c(C#N)c1C)N1CCC[C@@H]1C(=O)NC[*:1]
CC[C@H](C#N)NC(=O)c1c[nH]c2cccc(Br)c12 CC[C@H](C#N)[*:1] O=C(N[*:1])c1c[nH]c2cccc(Br)c12
COc1ccccc1COC1CCN(C(=O)[C@@H](C)n2cccn2)CC1 COc1ccccc1[*:1] C[C@H](C(=O)N1CCC(CC1)OC[*:1])n1cccn1
COc1ccccc1COC1CCN(C(=O)[C@@H](C)n2cccn2)CC1 c1cnn(c1)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)[C@@H](C)[*:1]
Cc1ccc(S[C@H]2CC[C@]([NH2+]C3CC3)(C(N)=O)C2)cc1 C1CC1[*:1] Cc1ccc(cc1)S[C@H]1CC[C@](C1)([NH2+][*:1])C(N)=O
Cc1ccc(S[C@H]2CC[C@]([NH2+]C3CC3)(C(N)=O)C2)cc1 NC(=O)[*:1] Cc1ccc(cc1)S[C@H]1CC[C@@](C1)([NH2+]C1CC1)[*:1]
CC[C@H](C#N)N1CCN(C(=O)N2CCC(C)CC2)CC1 CC[C@H](C#N)[*:1] CC1CCN(CC1)C(=O)N1CCN(CC1)[*:1]
CC[C@@H](C)c1ccccc1OCC(=O)Nc1c[nH]c(=O)[nH]c1=O CC[C@@H](C)[*:1] O=C(COc1ccccc1[*:1])Nc1c[nH]c(=O)[nH]c1=O
CC(C)(C)c1cc(CN2CCC[C@@]3(C2)C(=O)Nc2ccccc23)n[nH]1 CC(C)(C)[*:1] O=C1Nc2ccccc2[C@@]12CCCN(Cc1cc([nH]n1)[*:1])C2
CC[C@@H](C)[C@H](C(=O)Nc1nnc(C2CC2)s1)c1ccccc1 CC[C@@H](C)[*:1] O=C(Nc1nnc(s1)C1CC1)[C@H](c1ccccc1)[*:1]
CC[C@@H](C)[C@H](C(=O)Nc1nnc(C2CC2)s1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@H](C(=O)Nc1nnc(s1)C1CC1)[*:1]
CC[C@@H](C)[C@H](C(=O)Nc1nnc(C2CC2)s1)c1ccccc1 C1CC1[*:1] CC[C@@H](C)[C@H](C(=O)Nc1nnc(s1)[*:1])c1ccccc1
Cc1csc(N(C)C(=O)c2cc(Cl)ccc2Cl)n1 Cc1csc(n1)[*:1] CN(C(=O)c1cc(Cl)ccc1Cl)[*:1]
Cc1oc(C(=O)NN)cc1CSc1cc2ccccc2[nH]1 NNC(=O)[*:1] Cc1oc(cc1CSc1cc2ccccc2[nH]1)[*:1]
CC(C)[C@@H]1CN(C(=O)C2C[C@@H](C)O[C@H](C)C2)CCS1 CC(C)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCS[C@@H](C1)[*:1]
CCOc1ccc(NC(=O)CN2CCN(Cc3cncs3)CC2)cc1 CCO[*:1] O=C(CN1CCN(CC1)Cc1cncs1)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)CN2CCN(Cc3cncs3)CC2)cc1 c1ncc(s1)[*:1] CCOc1ccc(cc1)NC(=O)CN1CCN(CC1)C[*:1]
CCOc1ccc(NC(=O)CN2CCN(Cc3cncs3)CC2)cc1 c1ncc(C[*:1])s1 CCOc1ccc(cc1)NC(=O)CN1CCN(CC1)[*:1]
O=C(Nc1nnc(N2CCN(c3cccc(Cl)c3)CC2)s1)C(F)(F)F FC(F)(F)[*:1] O=C(Nc1nnc(s1)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
O=C(Nc1nnc(N2CCN(c3cccc(Cl)c3)CC2)s1)C(F)(F)F O=C(N[*:1])C(F)(F)F Clc1cccc(c1)N1CCN(CC1)c1nnc(s1)[*:1]
O=C(Nc1nnc(N2CCN(c3cccc(Cl)c3)CC2)s1)C(F)(F)F Clc1cccc(c1)[*:1] O=C(Nc1nnc(s1)N1CCN(CC1)[*:1])C(F)(F)F
COc1cccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)c1 COc1cccc(c1)[*:1] O=C(NCC1CCN(CC1)c1nc2ccccc2o1)C(=O)N[*:1]
COc1cccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)c1 c1ccc2oc(nc2c1)[*:1] COc1cccc(c1)NC(=O)C(=O)NCC1CCN(CC1)[*:1]
CC(C)c1nn(C)c(Cl)c1[C@H](O)Cc1cccc(Br)c1 CC(C)[*:1] Cn1nc(c(c1Cl)[C@H](O)Cc1cccc(Br)c1)[*:1]
Cc1[nH+]c([C@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)nc2c1CCCN2CC1CC1 C1CC1[*:1] Cc1[nH+]c(nc2c1CCCN2C[*:1])[C@H]1CCCCN1C(=O)Cn1ccnc1C(C)C
Cc1[nH+]c([C@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)nc2c1CCCN2CC1CC1 CC(C)[*:1] Cc1[nH+]c(nc2c1CCCN2CC1CC1)[C@H]1CCCCN1C(=O)Cn1ccnc1[*:1]
Cc1[nH+]c([C@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)nc2c1CCCN2CC1CC1 CC(C)c1nccn1C[*:1] Cc1[nH+]c(nc2c1CCCN2CC1CC1)[C@H]1CCCCN1C(=O)[*:1]
Cc1[nH+]c([C@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)nc2c1CCCN2CC1CC1 CC(C)c1nccn1[*:1] Cc1[nH+]c(nc2c1CCCN2CC1CC1)[C@H]1CCCCN1C(=O)C[*:1]
Cc1[nH+]c([C@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)nc2c1CCCN2CC1CC1 C1CC1C[*:1] Cc1[nH+]c(nc2c1CCCN2[*:1])[C@H]1CCCCN1C(=O)Cn1ccnc1C(C)C
CC(C)[C@@H](C)S(=O)(=O)Cc1ccccc1 CC(C)[*:1] C[C@@H](S(=O)(=O)Cc1ccccc1)[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)s2)o1 Fc1ccc(cc1)[*:1] Cc1ccc(o1)-c1nc(C)c(s1)C(=O)N[C@@H]([C@H]1CCCO1)[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)s2)o1 C1CO[C@H](C1)[*:1] Cc1ccc(o1)-c1nc(C)c(s1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)s2)o1 Cc1ccc(o1)[*:1] Cc1nc(sc1C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccn1 c1ccc(cc1)[*:1] COC(=O)C1=C(C)NC2C[C@H](CC(=O)C=2[C@@H]1c1ccccn1)[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccn1 c1ccc(nc1)[*:1] COC(=O)C1=C(C)NC2C[C@@H](CC(=O)C=2[C@H]1[*:1])c1ccccc1
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccn1 COC(=O)[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@@H](C=1[*:1])c1ccccn1)c1ccccc1
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccccc3F)CC2)c1 Fc1ccccc1C=C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccccc3F)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(/C=C/c1ccccc1F)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccccc3F)CC2)c1 Fc1ccccc1[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)C=C[*:1]
Cc1ccc(CNC(=O)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c(C)c1 Cc1ccc(C[*:1])c(C)c1 O=C(Nc1ccccc1OC[C@@H]1CCCCO1)C(=O)N[*:1]
Cc1ccc(CNC(=O)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1OC[C@@H]1CCCCO1
COc1ccc(C)cc1N1C[C@@H](C(=O)NCC2CC2)CC1=O C1CC1[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)NC[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)NCC2CC2)CC1=O O=C(NCC1CC1)[*:1] COc1ccc(C)cc1N1C[C@@H](CC1=O)[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)NCC2CC2)CC1=O C1CC1C[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)N[*:1]
CCO[C@@H](C)c1noc(CNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)n1 CCO[*:1] C[C@@H](c1noc(CNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)n1)[*:1]
CCO[C@@H](C)c1noc(CNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)n1 CCO[C@@H](C)[*:1] O=C(NCc1nc(no1)[*:1])N1C[C@H]2CC=CC[C@@H]2C1
Cc1ocnc1CNC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 C1C[C@H](CO1)C[*:1] Cc1ocnc1CNC(=O)N[C@H](c1ccccc1)[*:1]
Cc1ocnc1CNC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ocnc1CNC(=O)N[C@H](C[C@@H]1CCOC1)[*:1]
Cc1ocnc1CNC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 C1C[C@H](CO1)[*:1] Cc1ocnc1CNC(=O)N[C@H](C[*:1])c1ccccc1
Cc1ocnc1CNC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 Cc1ocnc1C[*:1] O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)N[*:1]
Cc1ocnc1CNC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 Cc1ocnc1[*:1] O=C(NC[*:1])N[C@H](C[C@@H]1CCOC1)c1ccccc1
C=CCOc1ccc(Cl)cc1C[NH+]1CCC2(CC1)CNC(=O)C2 C=CCO[*:1] O=C1CC2(CC[NH+](CC2)Cc2cc(Cl)ccc2[*:1])CN1
C=CCOc1ccc(Cl)cc1C[NH+]1CCC2(CC1)CNC(=O)C2 C=CC[*:1] O=C1CC2(CC[NH+](CC2)Cc2cc(Cl)ccc2O[*:1])CN1
CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)CCO2 CS(=O)(=O)[*:1] CCOc1ccc2OCC[C@H]([NH2+][C@H](C)C[*:1])c2c1
CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)CCO2 CS(=O)(=O)C[*:1] CCOc1ccc2OCC[C@H]([NH2+][C@H](C)[*:1])c2c1
CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)CCO2 CCO[*:1] C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCOc2ccc(cc21)[*:1]
CO[C@@H](CNC(=O)c1occc1-c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)c1occc1[*:1])c1ccc(F)cc1
CO[C@@H](CNC(=O)c1occc1-c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)c1occc1-c1ccccc1)[*:1]
CCN(C[C@H]1CCCN1C(=O)CCl)C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] CCN(C[C@H]1CCCN1C(=O)CCl)C(=O)O[*:1]
CCN(C[C@H]1CCCN1C(=O)CCl)C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] CCN(C[C@H]1CCCN1C(=O)CCl)C(=O)OC[*:1]
CC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H](NC(=O)Nc1ccc2NC(=O)CCc2c1)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)NCCC2CCCCC2)CC1 CCC(CC)[*:1] O=C(NCCC1CCCCC1)NC1CCN(CC1)C(=O)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)NCCC2CCCCC2)CC1 C1CCC(CC1)CC[*:1] CCC(CC)C(=O)N1CCC(CC1)NC(=O)N[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)NCCC2CCCCC2)CC1 C1CCC(CC1)[*:1] CCC(CC)C(=O)N1CCC(CC1)NC(=O)NCC[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)NCCC2CCCCC2)CC1 C1CCC(CC1)C[*:1] CCC(CC)C(=O)N1CCC(CC1)NC(=O)NC[*:1]
CN(C)c1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 CN(C)c1cccc(c1)[*:1] O=C(N1CCC(CC1)NS(=O)(=O)c1ccccc1)[*:1]
CN(C)c1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 CN(C)[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)NS(=O)(=O)c1ccccc1
CN(C)c1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CN(C)c1cccc(c1)C(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
Cc1c(C(=O)OC(C)C)sc2ncnc(N3CCCCC3)c12 C1CCN(CC1)[*:1] Cc1c(sc2ncnc(c12)[*:1])C(=O)OC(C)C
Cc1c(C(=O)OC(C)C)sc2ncnc(N3CCCCC3)c12 CC(C)OC(=O)[*:1] Cc1c(sc2ncnc(c12)N1CCCCC1)[*:1]
Cc1c(C(=O)OC(C)C)sc2ncnc(N3CCCCC3)c12 CC(C)[*:1] Cc1c(sc2ncnc(c12)N1CCCCC1)C(=O)O[*:1]
CNC(=O)CC1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 CNC(=O)C[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 CNC(=O)[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 N#Cc1ccccc1[*:1] CNC(=O)CC1CCN(CC1)C(=O)[C@@H](C)O[*:1]
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)N1CC[NH+](CC1)C[*:1])-c1c(Cl)cccc1Cl
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 Clc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)N1CC[NH+](CC1)Cc1ccccc1)[*:1]
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1onc(c1C(=O)N1CC[NH+](CC1)[*:1])-c1c(Cl)cccc1Cl
Cc1ccc(NC(=O)c2cccs2)cc1N1CCCCC1=O c1csc(c1)[*:1] Cc1ccc(cc1N1CCCCC1=O)NC(=O)[*:1]
Cc1ccc(NC(=O)c2cccs2)cc1N1CCCCC1=O O=C1CCCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cccs1
COc1ccc2c(c1)OC[C@H](C(=O)N1CCOC[C@H]1C1CC1)C2 C1CC1[*:1] COc1ccc2C[C@H](COc2c1)C(=O)N1CCOC[C@@H]1[*:1]
NC(=O)C1CCC(C(=O)Oc2ccc3c(c2)CCC3)CC1 NC(=O)[*:1] O=C(Oc1ccc2CCCc2c1)C1CCC(CC1)[*:1]
CN(Cc1cccc(C#N)c1)C(=O)CCCc1ccccc1 c1ccc(cc1)C[*:1] CN(Cc1cccc(C#N)c1)C(=O)CC[*:1]
CN(Cc1cccc(C#N)c1)C(=O)CCCc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cccc(C#N)c1)C(=O)CCC[*:1]
O[C@@H](c1ccc(F)cc1F)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] O[C@@H](c1ccc(F)cc1F)c1cc(ccc1F)[*:1]
COc1ccc(CC(=O)N2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N1CCN(CC1)c1c(C)n(c(=O)n(C)c1=O)[*:1]
COc1ccc(CC(=O)N2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1 COc1ccc(cc1)[*:1] Cc1c(c(=O)n(C)c(=O)n1-c1ccccc1)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(CC(=O)N2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1 COc1ccc(cc1)C[*:1] Cc1c(c(=O)n(C)c(=O)n1-c1ccccc1)N1CCN(CC1)C(=O)[*:1]
CC(=O)c1sc2c(c1C)c(=O)nc1n2Cc2ccccc2-1 CC(=O)[*:1] Cc1c(sc2c1c(=O)nc1-c3ccccc3Cn12)[*:1]
O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NC1CC1
O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CC1 O=C(NC1CC1)[*:1] O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1[*:1]
O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CC1 C1CC1[*:1] O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N[*:1]
CC[NH+]1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 c1cc(ccn1)[*:1] CC[NH+]1CCN(CC1)c1nc(nc2ccccc12)[*:1]
C[C@H](Oc1ccc(C(=O)N2CCNC(=O)C2)cn1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc(cn1)C(=O)N1CCNC(=O)C1)[*:1]
C[C@H](Oc1ccc(C(=O)N2CCNC(=O)C2)cn1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C1CN(CCN1)C(=O)c1ccc(nc1)O[*:1]
C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1cc(F)ccc1F
C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccccc2)C1=O O=C(c1ccccc1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cc(F)ccc1F
C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccccc2)C1=O Fc1ccc(F)c(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)c2ccccc2)C1=O)[*:1]
CCOC(=O)[C@]1(Cc2ccccc2)N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 c1ccc(cc1)C[*:1] CCOC(=O)[C@@]1(N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21)[*:1]
CCOC(=O)[C@]1(Cc2ccccc2)N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 c1csc(c1)[*:1] CCOC(=O)[C@]1(Cc2ccccc2)N[C@H]([C@H]2C(=O)N(C)C(=O)[C@@H]21)[*:1]
CCOC(=O)[C@]1(Cc2ccccc2)N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 CCOC(=O)[*:1] CN1C(=O)[C@@H]2[C@H](N[C@@](Cc3ccccc3)([C@H]2C1=O)[*:1])c1cccs1
CCOC(=O)[C@]1(Cc2ccccc2)N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 c1ccc(cc1)[*:1] CCOC(=O)[C@]1(C[*:1])N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)c2ccco2)C1 CCC[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](c1ccccc1)c1ccco1)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)c2ccco2)C1 c1ccc(cc1)[*:1] CCC[C@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](c1ccco1)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)c2ccco2)C1 CCC[C@H](C)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)N[C@@H](c1ccccc1)c1ccco1
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)c2ccco2)C1 c1coc(c1)[*:1] CCC[C@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](c1ccccc1)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)c2ccco2)C1 CCC[C@H](C)NC(=O)[*:1] O=C(N[C@@H](c1ccccc1)c1ccco1)N1CCC[C@H](C1)[*:1]
Cc1cccc(C(=O)N2CCC(c3nnc(-c4ccco4)o3)CC2)c1 c1coc(c1)[*:1] Cc1cccc(c1)C(=O)N1CCC(CC1)c1nnc(o1)[*:1]
Cc1cccc(C(=O)N2CCC(c3nnc(-c4ccco4)o3)CC2)c1 Cc1cccc(c1)[*:1] O=C(N1CCC(CC1)c1nnc(o1)-c1ccco1)[*:1]
CCc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H]([C@H](C)O)C(=O)N3C2)c1 CCc1cccc(c1)[*:1] C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@@H](CN2C1=O)NC(=O)N[*:1]
CCc1cccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H]([C@H](C)O)C(=O)N3C2)c1 C[C@H](O)[*:1] CCc1cccc(c1)NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](C(=O)N2C1)[*:1]
Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 Cc1ccc(cc1)S[*:1] C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1)[*:1]
Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(cc1)S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CN(C)C(=O)CN(Cc1ccc(SC(=O)N(C)C)cc1)c1ccccc1 CN(C)C(=O)S[*:1] CN(C)C(=O)CN(Cc1ccc(cc1)[*:1])c1ccccc1
CN(C)C(=O)CN(Cc1ccc(SC(=O)N(C)C)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)CN(Cc1ccc(cc1)SC(=O)N(C)C)[*:1]
CN(C)C(=O)CN(Cc1ccc(SC(=O)N(C)C)cc1)c1ccccc1 CN(C)C(=O)[*:1] CN(C)C(=O)Sc1ccc(cc1)CN(C[*:1])c1ccccc1
CN(C)C(=O)CN(Cc1ccc(SC(=O)N(C)C)cc1)c1ccccc1 CN(C)C(=O)C[*:1] CN(C)C(=O)Sc1ccc(cc1)CN(c1ccccc1)[*:1]
O=C([O-])[C@H]1CS[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 O=C([O-])[*:1] Clc1ccc(COc2cccc(c2)[C@H]2N[C@H](CS2)[*:1])c(Cl)c1
O=C([O-])[C@H]1CS[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 Clc1ccc(c(Cl)c1)[*:1] O=C([O-])[C@H]1CS[C@H](N1)c1cccc(c1)OC[*:1]
O=C1C(NS(=O)(=O)c2ccccc2)=C[C@H](NS(=O)(=O)c2cccs2)c2ccccc21 O=S(=O)(N[*:1])c1ccccc1 O=C1C(=C[C@H](NS(=O)(=O)c2cccs2)c2ccccc21)[*:1]
O=C1C(NS(=O)(=O)c2ccccc2)=C[C@H](NS(=O)(=O)c2cccs2)c2ccccc21 O=S(=O)(N[*:1])c1cccs1 O=C1C(=C[C@H](c2ccccc21)[*:1])NS(=O)(=O)c1ccccc1
O=C1C(NS(=O)(=O)c2ccccc2)=C[C@H](NS(=O)(=O)c2cccs2)c2ccccc21 c1ccc(cc1)[*:1] O=C1C(=C[C@H](NS(=O)(=O)c2cccs2)c2ccccc21)NS(=O)(=O)[*:1]
O=C1C(NS(=O)(=O)c2ccccc2)=C[C@H](NS(=O)(=O)c2cccs2)c2ccccc21 c1csc(c1)[*:1] O=C1C(=C[C@H](NS(=O)(=O)[*:1])c2ccccc21)NS(=O)(=O)c1ccccc1
O=C(Nc1cccnc1Cl)c1csc(-c2ccc(Cl)cc2)n1 Clc1ncccc1[*:1] O=C(N[*:1])c1csc(n1)-c1ccc(Cl)cc1
O=C(Nc1cccnc1Cl)c1csc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] O=C(Nc1cccnc1Cl)c1csc(n1)[*:1]
Cc1c(NCC(=O)N[C@@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NCC(=O)N[C@@H](c1ccccc1)C1CC1
Cc1c(NCC(=O)N[C@@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] C1CC1[*:1] Cc1c(cccc1[N+](=O)[O-])NCC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1c(NCC(=O)N[C@@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])NCC(=O)N[C@@H](C1CC1)[*:1]
CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccccc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(CC1CC[NH+](CC1)C1CCN(C)CC1)C(=O)c1ccccc1[*:1]
O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CC[C@H]1Cc2ccccc2NC1=O)N[*:1]
O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CC[C@H]1Cc2ccccc2NC1=O)NC[*:1]
CCCCNC(=O)NNC(=O)c1cnc2[nH]nc(C)c2c1 CCC[*:1] Cc1n[nH]c2ncc(cc12)C(=O)NNC(=O)NC[*:1]
CCCCNC(=O)NNC(=O)c1cnc2[nH]nc(C)c2c1 CCCC[*:1] Cc1n[nH]c2ncc(cc12)C(=O)NNC(=O)N[*:1]
OC[C@H](c1cccc(C(F)(F)F)c1)N1CCOCC1 FC(F)(F)[*:1] OC[C@H](c1cccc(c1)[*:1])N1CCOCC1
OC[C@H](c1cccc(C(F)(F)F)c1)N1CCOCC1 C1CN(CCO1)[*:1] OC[C@H](c1cccc(c1)C(F)(F)F)[*:1]
Cc1nc(-c2ccccc2)cc(N2CCC[C@@H]2C[NH3+])n1 c1ccc(cc1)[*:1] Cc1nc(cc(n1)[*:1])N1CCC[C@@H]1C[NH3+]
C#CCCNC(=O)c1nnn[n-]1 C#CCC[*:1] O=C(N[*:1])c1nnn[n-]1
C#CCCNC(=O)c1nnn[n-]1 C#CC[*:1] O=C(NC[*:1])c1nnn[n-]1
CN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)C(=O)Nc1ccc(cc1)N1CCCC1=O
CN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 c1ccc(CC[*:1])nc1 CN(C(=O)C(=O)Nc1ccc(cc1)N1CCCC1=O)[*:1]
CN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)C(=O)Nc1ccc(cc1)N1CCCC1=O
CN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CN(CCc1ccccn1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CCNC(=O)c1cc(NC(=O)c2occc2C)nc2ccccc12 Cc1ccoc1[*:1] CCNC(=O)c1cc(nc2ccccc12)NC(=O)[*:1]
CCNC(=O)c1cc(NC(=O)c2occc2C)nc2ccccc12 CCNC(=O)[*:1] Cc1ccoc1C(=O)Nc1cc(c2ccccc2n1)[*:1]
COc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O COc1ccccc1[*:1] CN(Cc1ccccc1)C(=O)CN(S(C)(=O)=O)[*:1]
COc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O c1ccc(cc1)C[*:1] COc1ccccc1N(CC(=O)N(C)[*:1])S(C)(=O)=O
COc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] COc1ccccc1N(CC(=O)N(C)C[*:1])S(C)(=O)=O
COc1ccc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)c(c1)[*:1]
CCC[NH+](CCC)Cc1ccc(O)c(N)c1 CCC[*:1] CCC[NH+](Cc1ccc(O)c(N)c1)[*:1]
C/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(=NNC(=O)CNC(=O)c1cccc(F)c1)[*:1]
C/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1 Fc1cccc(c1)[*:1] C/C(=N\NC(=O)CNC(=O)[*:1])c1ccccc1
O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] O=C(OCc1ncc(o1)[*:1])[C@@H]1CCCO1
O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(OCc1ncc(o1)-c1ccc(Cl)cc1)[*:1]
COc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O COc1ccccc1[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)N[*:1]
O=C1c2ccccc2C(=O)N1CSc1ncc2c(=O)n(-c3ccccc3)c([O-])nc2n1 c1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1CSc1ncc2c(=O)n(c([O-])nc2n1)[*:1]
Cc1ccc(C(=O)[C@]2(n3nnc4ccccc43)O[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)[C@@]1(O[C@H]1[*:1])n1nnc2ccccc21
Cc1ccc(C(=O)[C@]2(n3nnc4ccccc43)O[C@@H]2c2ccccc2)cc1 c1ccc2c(c1)nnn2[*:1] Cc1ccc(cc1)C(=O)[C@@]1(O[C@@H]1c1ccccc1)[*:1]
Cc1ccc(C(=O)[C@]2(n3nnc4ccccc43)O[C@@H]2c2ccccc2)cc1 Cc1ccc(cc1)C(=O)[*:1] c1ccc(cc1)[C@H]1O[C@]1(n1nnc2ccccc21)[*:1]
Cc1ccc(C(=O)[C@]2(n3nnc4ccccc43)O[C@@H]2c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C([C@@]1(O[C@@H]1c1ccccc1)n1nnc2ccccc21)[*:1]
COc1ccc(C(=O)CCC(=O)Nc2cnn(C(C)C)c2)cc1F CC(C)n1cc(cn1)[*:1] COc1ccc(cc1F)C(=O)CCC(=O)N[*:1]
COc1ccc(C(=O)CCC(=O)Nc2cnn(C(C)C)c2)cc1F CC(C)[*:1] COc1ccc(cc1F)C(=O)CCC(=O)Nc1cnn(c1)[*:1]
C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)N[*:1]
C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)NC[*:1]
C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)NCC[*:1]
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1Br Brc1ccccc1[*:1] O=C1C[C@H](CN1[*:1])c1nc2ccccc2n1Cc1ccccc1
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1Br c1ccc(cc1)C[*:1] O=C1C[C@H](CN1c1ccccc1Br)c1nc2ccccc2n1[*:1]
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1Br c1ccc(cc1)[*:1] O=C1C[C@H](CN1c1ccccc1Br)c1nc2ccccc2n1C[*:1]
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(O)c(Cl)c1 O=C([O-])[*:1] N#Cc1ccc(nc1/C=C/c1ccc(O)c(Cl)c1)[*:1]
COC(=O)c1c(NC(=O)[C@H](C)N2CCc3[nH]ncc3C2)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)[C@H](C)N2CCc3[nH]ncc3C2)c(c1C)[*:1]
CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)c(C)c1 Cc1cc(ccc1Cl)[*:1] CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1[*:1]
CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)c(C)c1 CC[C@H](C)NC(=O)C[*:1] Cc1cc(ccc1Cl)-n1c(nc2ccsc2c1=O)S[*:1]
CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)c(C)c1 CC[C@H](C)[*:1] Cc1cc(ccc1Cl)-n1c(nc2ccsc2c1=O)SCC(=O)N[*:1]
CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)c(C)c1 CC[C@H](C)NC(=O)[*:1] Cc1cc(ccc1Cl)-n1c(nc2ccsc2c1=O)SC[*:1]
CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)c(C)c1 CC[C@H](C)NC(=O)CS[*:1] Cc1cc(ccc1Cl)-n1c(nc2ccsc2c1=O)[*:1]
CCc1ocnc1C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 CCc1ocnc1[*:1] O=C(Nc1ccn(n1)-c1ccc(Cl)cc1Cl)[*:1]
CCOc1ccc(-n2nnc(C(=O)Nc3ccc(NC(C)=O)cc3)c2C)cc1 CC(=O)N[*:1] CCOc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(cc2)[*:1])c1C
CCOc1ccc(-n2nnc(C(=O)Nc3ccc(NC(C)=O)cc3)c2C)cc1 CCO[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1nnn(-c2ccc(cc2)[*:1])c1C
CCOc1ccc(-n2nnc(C(=O)Nc3ccc(NC(C)=O)cc3)c2C)cc1 CCOc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1nnn(c1C)[*:1]
CCCCN(Cc1ccccc1F)C(=O)CN1C(=O)NC(C)(C)C1=O Fc1ccccc1[*:1] CCCCN(C[*:1])C(=O)CN1C(=O)NC(C)(C)C1=O
CCCCN(Cc1ccccc1F)C(=O)CN1C(=O)NC(C)(C)C1=O Fc1ccccc1C[*:1] CCCCN(C(=O)CN1C(=O)NC(C)(C)C1=O)[*:1]
CCCCN(Cc1ccccc1F)C(=O)CN1C(=O)NC(C)(C)C1=O CCC[*:1] CC1(C)NC(=O)N(CC(=O)N(Cc2ccccc2F)C[*:1])C1=O
CCCCN(Cc1ccccc1F)C(=O)CN1C(=O)NC(C)(C)C1=O CCCC[*:1] CC1(C)NC(=O)N(CC(=O)N(Cc2ccccc2F)[*:1])C1=O
C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc(F)c(c1)[*:1]
O=C(CSCc1ccccc1)NCc1nnnn1-c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CSC[*:1])NCc1nnnn1-c1ccc(F)cc1
O=C(CSCc1ccccc1)NCc1nnnn1-c1ccc(F)cc1 c1ccc(cc1)CS[*:1] O=C(C[*:1])NCc1nnnn1-c1ccc(F)cc1
O=C(CSCc1ccccc1)NCc1nnnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSCc1ccccc1)NCc1nnnn1[*:1]
O=C(CSCc1ccccc1)NCc1nnnn1-c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(CS[*:1])NCc1nnnn1-c1ccc(F)cc1
C[C@H]1OCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(C)(C)C CC(C)(C)[*:1] C[C@H]1OCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[*:1]
C[C@H]1OCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(C)(C)C c1ccc(cc1)C[*:1] C[C@H]1OCC[C@H]1C(=O)N[C@@H](C(C)(C)C)[*:1]
C[C@H]1OCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(C)(C)C c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)N[C@@H](C[*:1])C(C)(C)C
CN(Cc1ccc(Cl)s1)C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 Clc1ccc(C[*:1])s1 CN(C(=O)COc1ncnc2c(Cl)cc(Cl)cc12)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 Clc1ccc(s1)[*:1] CN(C[*:1])C(=O)COc1ncnc2c(Cl)cc(Cl)cc12
COc1ccc(OC)c(NC(=O)CCc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)CC[*:1]
Cc1c([C@@H](NC(=O)CNS(C)(=O)=O)C(C)C)oc2ccccc12 CC(C)[*:1] Cc1c(oc2ccccc12)[C@@H](NC(=O)CNS(C)(=O)=O)[*:1]
Cc1c([C@@H](NC(=O)CNS(C)(=O)=O)C(C)C)oc2ccccc12 CS(=O)(=O)NC[*:1] Cc1c(oc2ccccc12)[C@@H](NC(=O)[*:1])C(C)C
Cc1c([C@@H](NC(=O)CNS(C)(=O)=O)C(C)C)oc2ccccc12 CS(=O)(=O)N[*:1] Cc1c(oc2ccccc12)[C@@H](NC(=O)C[*:1])C(C)C
CCn1cc(C[NH+]2CCCN(C(=O)c3ccn(C)c(=O)c3)CC2)cn1 CCn1cc(cn1)[*:1] Cn1ccc(cc1=O)C(=O)N1CCC[NH+](CC1)C[*:1]
CCn1cc(C[NH+]2CCCN(C(=O)c3ccn(C)c(=O)c3)CC2)cn1 CCn1cc(cn1)C[*:1] Cn1ccc(cc1=O)C(=O)N1CCC[NH+](CC1)[*:1]
CCn1cc(C[NH+]2CCCN(C(=O)c3ccn(C)c(=O)c3)CC2)cn1 Cn1ccc(cc1=O)[*:1] CCn1cc(cn1)C[NH+]1CCCN(CC1)C(=O)[*:1]
CC[C@H](NC(=O)CCc1ccccc1C)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)CCc1ccccc1C)[*:1]
Cn1ccnc1/C([O-])=C(\C#N)C(=O)/C=C/c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] Cn1ccnc1/C([O-])=C(\C#N)C(=O)C=C[*:1]
Cn1ccnc1/C([O-])=C(\C#N)C(=O)/C=C/c1ccc(Cl)nc1 Cn1ccnc1[*:1] N#C/C(C(=O)/C=C/c1ccc(Cl)nc1)=C(/[O-])[*:1]
Cc1c(C[S@](C)=O)cccc1NC(=O)C=C1CCSCC1 C(=C1CCSCC1)[*:1] Cc1c(cccc1NC(=O)[*:1])C[S@](C)=O
Cc1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(/C=c2\sc3nc(nn3c2=O)[*:1])cc1
Cc1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c(=C[*:1])sc2nc(nn12)-c1ccccc1
Cc1cccc(N2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)c1 Cc1cccc(c1)[*:1] Cc1cc(=O)n2nc(sc2n1)N1CCN(CC1)[*:1]
O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc2c(c1)OCO2 c1ccc2nc(cnc2c1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccc2OCOc2c1
O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1)[*:1]
COC1CC[NH+](CCNC(=O)Nc2cc(C(C)(C)C)on2)CC1 CC(C)(C)[*:1] COC1CC[NH+](CCNC(=O)Nc2cc(on2)[*:1])CC1
Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3)n2)cc1F Clc1cccc(c1)[*:1] Cc1ccc(cc1F)NC(=O)CSc1n[nH]c(n1)NN=C[*:1]
Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3)n2)cc1F Cc1ccc(cc1F)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1cccc(Cl)c1)N[*:1]
Cc1cc(=O)oc2cc(Oc3ncccc3NC(=O)C3CCC3)ccc12 C1CC(C1)[*:1] Cc1cc(=O)oc2cc(ccc12)Oc1ncccc1NC(=O)[*:1]
Cc1cc(=O)oc2cc(Oc3ncccc3NC(=O)C3CCC3)ccc12 O=C(N[*:1])C1CCC1 Cc1cc(=O)oc2cc(ccc12)Oc1ncccc1[*:1]
Cc1cnc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)s1 C1CC1C[*:1] Cc1cnc(s1)C(C)(C)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cnc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)s1 C1CC1[*:1] Cc1cnc(s1)C(C)(C)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1cnc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)[*:1]
CC(=O)c1ccc(N[C@H]2CC(=O)N(CC(F)(F)F)C2)c([N+](=O)[O-])c1 FC(F)(F)C[*:1] CC(=O)c1ccc(N[C@H]2CC(=O)N(C2)[*:1])c(c1)[N+](=O)[O-]
CC(=O)c1ccc(N[C@H]2CC(=O)N(CC(F)(F)F)C2)c([N+](=O)[O-])c1 CC(=O)[*:1] O=C1C[C@@H](CN1CC(F)(F)F)Nc1ccc(cc1[N+](=O)[O-])[*:1]
CC(=O)c1ccc(N[C@H]2CC(=O)N(CC(F)(F)F)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(N[C@H]2CC(=O)N(C2)CC(F)(F)F)c(c1)[*:1]
CC(=O)c1ccc(N[C@H]2CC(=O)N(CC(F)(F)F)C2)c([N+](=O)[O-])c1 FC(F)(F)[*:1] CC(=O)c1ccc(N[C@H]2CC(=O)N(C2)C[*:1])c(c1)[N+](=O)[O-]
CC[C@H](C)n1ncc(C(=O)Nc2cccc(N3CCOCC3)c2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)Nc2cccc(c2)N2CCOCC2)c1[*:1]
CC[C@H](C)n1ncc(C(=O)Nc2cccc(N3CCOCC3)c2)c1C1CC1 C1CN(CCO1)[*:1] CC[C@H](C)n1ncc(C(=O)Nc2cccc(c2)[*:1])c1C1CC1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(cc1)[*:1]
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 CC(C)(C)[*:1] O[C@H](C[NH2+][*:1])COc1ccc(cc1)-c1ccccc1
CC(C)(C)C(=O)Nc1ccc(-n2cc(-c3cnccn3)cn2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)-n1cc(cn1)-c1cnccn1)[*:1]
CC(C)(C)C(=O)Nc1ccc(-n2cc(-c3cnccn3)cn2)cc1 CC(C)(C)C(=O)N[*:1] c1cnc(cn1)-c1cnn(c1)-c1ccc(cc1)[*:1]
CC(C)(C)C(=O)Nc1ccc(-n2cc(-c3cnccn3)cn2)cc1 c1cnc(cn1)[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)-n1cc(cn1)[*:1]
CC#C[C@H](n1nnc2ccccc21)C(OC)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC#C[C@H](n1nnc2ccccc21)C(OC)(c1ccccc1)[*:1]
CC#C[C@H](n1nnc2ccccc21)C(OC)(c1ccccc1)c1ccccc1 c1ccc2c(c1)nnn2[*:1] CC#C[C@H](C(OC)(c1ccccc1)c1ccccc1)[*:1]
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2C2CC2)cc1 C1CC1[*:1] O=[N+]([O-])c1ccc(cc1)CSc1nnc(-c2ccncc2)n1[*:1]
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2C2CC2)cc1 O=[N+]([O-])[*:1] c1cc(ccn1)-c1nnc(SCc2ccc(cc2)[*:1])n1C1CC1
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2C2CC2)cc1 c1cc(ccn1)[*:1] O=[N+]([O-])c1ccc(cc1)CSc1nnc(n1C1CC1)[*:1]
BrCCc1cn([C@@H]2CCO[C@@]3(CCOC3)C2)nn1 BrCC[*:1] c1c(nnn1[C@@H]1CCO[C@@]2(CCOC2)C1)[*:1]
O=C(Nc1ccc(F)cc1)c1c[nH+]c2ccc(F)cc2c1N1CCCCC1 C1CCN(CC1)[*:1] O=C(Nc1ccc(F)cc1)c1c[nH+]c2ccc(F)cc2c1[*:1]
O=C(Nc1ccc(F)cc1)c1c[nH+]c2ccc(F)cc2c1N1CCCCC1 Fc1ccc(cc1)[*:1] O=C(N[*:1])c1c[nH+]c2ccc(F)cc2c1N1CCCCC1
CC[C@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCCC1(C)C CC(C)[*:1] CC[C@H]1C[NH2+][C@@H](CN1[C@@H]1CCCC1(C)C)[*:1]
CCNc1ccc(C(=O)Nc2cccc([S@@](C)=O)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1ccc(cc1[*:1])C(=O)Nc1cccc(c1)[S@@](C)=O
CCNc1ccc(C(=O)Nc2cccc([S@@](C)=O)c2)cc1[N+](=O)[O-] CCN[*:1] C[S@@](=O)c1cccc(c1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC(C)OCCCOc1cccc(N)c1 CC(C)OC[*:1] Nc1cccc(c1)OCC[*:1]
CC(C)OCCCOc1cccc(N)c1 CC(C)O[*:1] Nc1cccc(c1)OCCC[*:1]
CC(C)OCCCOc1cccc(N)c1 CC(C)[*:1] Nc1cccc(c1)OCCCO[*:1]
CCOc1ccccc1C(=O)NC(=S)N[C@@H](C)CC CCO[*:1] CC[C@H](C)NC(=S)NC(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)NC(=S)N[C@@H](C)CC CC[C@H](C)[*:1] CCOc1ccccc1C(=O)NC(=S)N[*:1]
C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc(cc1F)[*:1]
C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F C[C@H](C1CC1)[*:1] CN(S(=O)(=O)c1ccc(cc1F)[N+](=O)[O-])[*:1]
C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F C1CC1[*:1] C[C@H](N(C)S(=O)(=O)c1ccc(cc1F)[N+](=O)[O-])[*:1]
Cc1ccc(O)c(C(=O)CCCC(=O)[O-])c1 O=C([O-])C[*:1] Cc1ccc(O)c(c1)C(=O)CC[*:1]
Cc1ccc(O)c(C(=O)CCCC(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(O)c(c1)C(=O)CCC[*:1]
Cc1ccc(O)c(C(=O)CCCC(=O)[O-])c1 O=C([O-])CC[*:1] Cc1ccc(O)c(c1)C(=O)C[*:1]
COCCOCC1CCN(C(=O)CC(C)(C)C)CC1 COC[*:1] CC(C)(C)CC(=O)N1CCC(CC1)COC[*:1]
COCCOCC1CCN(C(=O)CC(C)(C)C)CC1 CC(C)(C)C[*:1] COCCOCC1CCN(CC1)C(=O)[*:1]
COCCOCC1CCN(C(=O)CC(C)(C)C)CC1 COCCO[*:1] CC(C)(C)CC(=O)N1CCC(CC1)C[*:1]
COCCOCC1CCN(C(=O)CC(C)(C)C)CC1 CC(C)(C)[*:1] COCCOCC1CCN(CC1)C(=O)C[*:1]
COCCOCC1CCN(C(=O)CC(C)(C)C)CC1 COCC[*:1] CC(C)(C)CC(=O)N1CCC(CC1)CO[*:1]
COCCOCC1CCN(C(=O)CC(C)(C)C)CC1 COCCOC[*:1] CC(C)(C)CC(=O)N1CCC(CC1)[*:1]
COCCCNC(=O)NNC(=O)c1c(C)oc(C)c1C COCCC[*:1] Cc1oc(C)c(C(=O)NNC(=O)N[*:1])c1C
COCCCNC(=O)NNC(=O)c1c(C)oc(C)c1C COCC[*:1] Cc1oc(C)c(C(=O)NNC(=O)NC[*:1])c1C
COCCCNC(=O)NNC(=O)c1c(C)oc(C)c1C COC[*:1] Cc1oc(C)c(C(=O)NNC(=O)NCC[*:1])c1C
Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@@H](O)c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cc(cc(NC(=O)[C@@H](O)[*:1])c1C)S(N)(=O)=O
Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@@H](O)c2ccccc2)c1C NS(=O)(=O)[*:1] Cc1cc(cc(NC(=O)[C@@H](O)c2ccccc2)c1C)[*:1]
CCOC(=O)c1c(COC(=O)c2ccc3c(c2)OCC(=O)N3)nc2ccccc2c1C CCOC(=O)[*:1] Cc1c(c(COC(=O)c2ccc3NC(=O)COc3c2)nc2ccccc12)[*:1]
Cc1ccc2c(c1)CCN2[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] Cc1ccc2c(c1)CCN2[C@@H](C)C(=O)N1CCC(CC1)[*:1]
COc1cc(C#N)ccc1OC(=O)c1cnc2c(cnn2C(C)C)c1 CC(C)[*:1] COc1cc(C#N)ccc1OC(=O)c1cnc2c(cnn2[*:1])c1
COc1ccc(CN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)[C@H](C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)[C@H](C)[*:1]
COc1ccc(CN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)[C@H](C)C2CC2)cc1 COc1ccc(cc1)[*:1] C[C@H](C1CC1)N(C[*:1])C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12
COc1ccc(CN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)[C@H](C)C2CC2)cc1 C[C@H](C1CC1)[*:1] COc1ccc(cc1)CN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)[*:1]
COc1ccc(CN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)[C@H](C)C2CC2)cc1 COc1ccc(cc1)C[*:1] C[C@H](C1CC1)N(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccoc2)c1 c1cc(co1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)[*:1]
C[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)C(C)(C)C CC(C)(C)[*:1] C[C@@H]([NH2+]Cc1coc(n1)-c1ccc(F)cc1)[*:1]
Cc1ccc(CCNC(=O)C(=O)Nc2cc(Cl)ccc2-n2cccn2)c(C)c1 c1cnn(c1)[*:1] Cc1ccc(CCNC(=O)C(=O)Nc2cc(Cl)ccc2[*:1])c(C)c1
Cc1ccc(CCNC(=O)C(=O)Nc2cc(Cl)ccc2-n2cccn2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NCC[*:1])C(=O)Nc1cc(Cl)ccc1-n1cccn1
Cc1ccc(CCNC(=O)C(=O)Nc2cc(Cl)ccc2-n2cccn2)c(C)c1 Cc1ccc(C[*:1])c(C)c1 O=C(NC[*:1])C(=O)Nc1cc(Cl)ccc1-n1cccn1
CN(C/C=C/CS)CCC#N N#CC[*:1] CN(C/C=C/CS)C[*:1]
COC(=O)c1nn(C[C@@H](O)COc2cc(C)cc(C)c2)c2c1CCCC2 COC(=O)[*:1] Cc1cc(C)cc(c1)OC[C@H](O)Cn1nc(c2CCCCc21)[*:1]
COC(=O)c1nn(C[C@@H](O)COc2cc(C)cc(C)c2)c2c1CCCC2 Cc1cc(C)cc(c1)[*:1] COC(=O)c1nn(C[C@@H](O)CO[*:1])c2CCCCc12
S[C@H]1N=N[C@H]([C@@H]2C=C(c3ccccc3)N=N2)N1/N=C/c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] S[C@H]1N=N[C@H]([C@@H]2C=C(N=N2)[*:1])N1/N=C/c1ccc(Cl)cc1Cl
S[C@H]1N=N[C@H]([C@@H]2C=C(c3ccccc3)N=N2)N1/N=C/c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] S[C@H]1N=N[C@H]([C@@H]2C=C(N=N2)c2ccccc2)N1N=C[*:1]
O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@H]1CCCS1 Fc1ccc(cc1)[*:1] O=C(N[C@H](Cn1cnc2ccccc21)[*:1])[C@H]1CCCS1
C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(OC(F)F)cc1OC(F)F FC(F)O[*:1] C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(cc1[*:1])OC(F)F
C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(OC(F)F)cc1OC(F)F FC(F)O[*:1] C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(cc1OC(F)F)[*:1]
C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(OC(F)F)cc1OC(F)F FC(F)[*:1] C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(cc1OC(F)F)O[*:1]
C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(OC(F)F)cc1OC(F)F FC(F)[*:1] C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(cc1O[*:1])OC(F)F
Cc1ccc(Nc2n[nH]nc2C(=O)Nc2cccc(C)c2C)cc1 Cc1cccc(c1C)[*:1] Cc1ccc(cc1)Nc1n[nH]nc1C(=O)N[*:1]
Cc1ccc(Nc2n[nH]nc2C(=O)Nc2cccc(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(NC(=O)c2n[nH]nc2N[*:1])c1C
Cc1ccc(Nc2n[nH]nc2C(=O)Nc2cccc(C)c2C)cc1 Cc1ccc(cc1)N[*:1] Cc1cccc(NC(=O)c2n[nH]nc2[*:1])c1C
CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(c2cc[nH+]cc2)CC1 c1cc(cc[nH+]1)[*:1] CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(CC1)[*:1]
O=c1[nH]c(-c2cccc(F)c2)nc2sc3c(c12)CCCC3 Fc1cccc(c1)[*:1] O=c1[nH]c(nc2sc3CCCCc3c12)[*:1]
O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1cnc2ccccc2n1 c1cc2OCOc2cc1[*:1] O=C(NCc1cc(on1)[*:1])c1cnc2ccccc2n1
O=C1C[C@]2(CCN(C(=O)c3ccccc3OC(F)(F)C(F)F)C2)C(=O)N1 FC(F)C(F)(F)[*:1] O=C1C[C@]2(CCN(C2)C(=O)c2ccccc2O[*:1])C(=O)N1
O=C1C[C@]2(CCN(C(=O)c3ccccc3OC(F)(F)C(F)F)C2)C(=O)N1 FC(F)[*:1] O=C1C[C@]2(CCN(C2)C(=O)c2ccccc2OC(F)(F)[*:1])C(=O)N1
O=C1C[C@]2(CCN(C(=O)c3ccccc3OC(F)(F)C(F)F)C2)C(=O)N1 FC(F)C(F)(F)O[*:1] O=C1C[C@]2(CCN(C2)C(=O)c2ccccc2[*:1])C(=O)N1
Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 CC(C)OC(=O)[*:1] Cc1cc(cc2O/C(=C\c3ccc(cc3)[N+](=O)[O-])C(=O)c12)OC[*:1]
Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 CC(C)[*:1] Cc1cc(cc2O/C(=C\c3ccc(cc3)[N+](=O)[O-])C(=O)c12)OCC(=O)O[*:1]
Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 O=[N+]([O-])[*:1] Cc1cc(cc2O/C(=C\c3ccc(cc3)[*:1])C(=O)c12)OCC(=O)OC(C)C
Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 CC(C)OC(=O)CO[*:1] Cc1cc(cc2O/C(=C\c3ccc(cc3)[N+](=O)[O-])C(=O)c12)[*:1]
Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 CC(C)OC(=O)C[*:1] Cc1cc(cc2O/C(=C\c3ccc(cc3)[N+](=O)[O-])C(=O)c12)O[*:1]
Cc1cc(OCC(=O)OC(C)C)cc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(cc2OC(=C[*:1])C(=O)c12)OCC(=O)OC(C)C
COc1cc(C)c(/C=N/NC(=O)CC#N)cc1C(C)C CC(C)[*:1] COc1cc(C)c(/C=N/NC(=O)CC#N)cc1[*:1]
COc1cc(C)c(/C=N/NC(=O)CC#N)cc1C(C)C N#CC[*:1] COc1cc(C)c(/C=N/NC(=O)[*:1])cc1C(C)C
CC[C@H](NC(=O)Cc1c(C)noc1C)c1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] CC[C@H](NC(=O)Cc1c(C)noc1C)[*:1]
CC[C@H](NC(=O)Cc1c(C)noc1C)c1nc(C)c(C)s1 Cc1noc(C)c1[*:1] CC[C@H](NC(=O)C[*:1])c1nc(C)c(C)s1
O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1c[nH]c2cccc(F)c12 FC(F)(F)C[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])c1c[nH]c2cccc(F)c12
O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1c[nH]c2cccc(F)c12 FC(F)(F)[*:1] O=C(N[C@H]1CCN(C[*:1])C1=O)c1c[nH]c2cccc(F)c12
O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NCc1ccco1 c1coc(c1)[*:1] O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NC[*:1]
O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NCc1ccco1 c1coc(c1)C[*:1] O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)N[*:1]
O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=C1N[C@@]2(CCC(=O)N(CC2)C[*:1])Nc2ncccc21
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNC(=O)COc1ccccc1[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)NNC(=O)COc1ccccc1-c1ccccc1)[*:1]
C[C@@H](CNC(=O)c1cccc(SCC#N)c1)N1CCc2ccccc21 N#CCS[*:1] C[C@@H](CNC(=O)c1cccc(c1)[*:1])N1CCc2ccccc21
C[C@@H](CNC(=O)c1cccc(SCC#N)c1)N1CCc2ccccc21 N#CC[*:1] C[C@@H](CNC(=O)c1cccc(c1)S[*:1])N1CCc2ccccc21
Cc1ccccc1-c1cccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c1 Cc1ccccc1[*:1] O=C(c1cccc(c1)[*:1])N1CC[C@H](CO)[C@@H](O)C1
CCOc1ccccc1CNC(=O)[C@H]1C[C@H]2CC[C@@H]1O2 CCO[*:1] O=C(NCc1ccccc1[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CC(C)(C)[*:1] O=C(NC[C@@H]1C[C@]12CCc1ccccc12)NNC(=O)[*:1]
O=C(NCCNC(=O)C1CC1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 C1CC1[*:1] O=C(NCCNC(=O)[*:1])Nc1ccc(nc1)Oc1ccc(Cl)cc1
O=C(NCCNC(=O)C1CC1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 O=C(N[*:1])C1CC1 O=C(NCC[*:1])Nc1ccc(nc1)Oc1ccc(Cl)cc1
O=C(NCCNC(=O)C1CC1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 O=C(NC[*:1])C1CC1 O=C(NC[*:1])Nc1ccc(nc1)Oc1ccc(Cl)cc1
O=C(NCCNC(=O)C1CC1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 Clc1ccc(cc1)[*:1] O=C(NCCNC(=O)C1CC1)Nc1ccc(nc1)O[*:1]
O=C(NCCNC(=O)C1CC1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 O=C(NCC[*:1])C1CC1 O=C(Nc1ccc(nc1)Oc1ccc(Cl)cc1)N[*:1]
O=C(NCCNC(=O)C1CC1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 Clc1ccc(cc1)O[*:1] O=C(NCCNC(=O)C1CC1)Nc1ccc(nc1)[*:1]
COC(=O)c1ccc(CSc2nc(C)c(C)o2)cc1F COC(=O)[*:1] Cc1nc(oc1C)SCc1ccc(c(F)c1)[*:1]
Cc1nnc(C[NH+](C)Cc2cccc(C(F)(F)F)c2)o1 Cc1nnc(o1)[*:1] C[NH+](Cc1cccc(c1)C(F)(F)F)C[*:1]
Cc1nnc(C[NH+](C)Cc2cccc(C(F)(F)F)c2)o1 FC(F)(F)[*:1] Cc1nnc(C[NH+](C)Cc2cccc(c2)[*:1])o1
C=CCn1/c(=N/C(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2cc(NC(C)=O)ccc21 O=[N+]([O-])[*:1] C=CCn1/c(=N/C(=O)c2cc(Cl)ccc2[*:1])sc2cc(ccc21)NC(C)=O
C=CCn1/c(=N/C(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2cc(NC(C)=O)ccc21 CC(=O)N[*:1] C=CCn1/c(=N/C(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2cc(ccc21)[*:1]
C=CCn1/c(=N/C(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2cc(NC(C)=O)ccc21 C=CC[*:1] CC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)c1cc(Cl)ccc1[N+](=O)[O-])n2[*:1]
CCCNC(=O)CN(C)C(=O)c1csc(/C=C/C(=O)[O-])c1 CCC[*:1] CN(CC(=O)N[*:1])C(=O)c1csc(/C=C/C(=O)[O-])c1
CCCNC(=O)CN(C)C(=O)c1csc(/C=C/C(=O)[O-])c1 CCCNC(=O)[*:1] CN(C[*:1])C(=O)c1csc(/C=C/C(=O)[O-])c1
CCCNC(=O)CN(C)C(=O)c1csc(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] CCCNC(=O)CN(C)C(=O)c1csc(c1)[*:1]
CCCNC(=O)CN(C)C(=O)c1csc(/C=C/C(=O)[O-])c1 CCCNC(=O)C[*:1] CN(C(=O)c1csc(/C=C/C(=O)[O-])c1)[*:1]
CCCNC(=O)CN(C)C(=O)c1csc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] CCCNC(=O)CN(C)C(=O)c1csc(C=C[*:1])c1
CCc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(C)=O CCc1ccccc1[*:1] CC(=O)N(CN1C(=O)c2ccccc2C1=O)[*:1]
CN(C)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 CN(C)c1cccc(c1)[*:1] O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNC(=O)[*:1]
CN(C)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 CN(C)[*:1] O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNC(=O)c1cccc(c1)[*:1]
Cc1cc(=O)c(C(=O)OCc2nc(-c3ccccc3)oc2C)c[nH]1 c1ccc(cc1)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)OCc1nc(oc1C)[*:1]
Cc1cc(=O)c(C(=O)OCc2nc(-c3ccccc3)oc2C)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] Cc1oc(nc1COC(=O)[*:1])-c1ccccc1
O=C(CCC1CCCC1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 c1ccc(cc1)N[*:1] O=C(CCC1CCCC1)N1CCN(CC1)c1ccc(nn1)[*:1]
O=C(CCC1CCCC1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 C1CCC(C1)C[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(nn1)Nc1ccccc1
O=C(CCC1CCCC1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 c1ccc(cc1)[*:1] O=C(CCC1CCCC1)N1CCN(CC1)c1ccc(nn1)N[*:1]
O=C(CCC1CCCC1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 C1CCC(C1)CC[*:1] O=C(N1CCN(CC1)c1ccc(nn1)Nc1ccccc1)[*:1]
O=C(CCC1CCCC1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 C1CCC(C1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccc(nn1)Nc1ccccc1
Cc1nc(C[NH2+][C@@H](C)C[C@H]2CCCO2)c(C)s1 C1CO[C@H](C1)[*:1] Cc1nc(C[NH2+][C@@H](C)C[*:1])c(C)s1
Cc1ccc(-c2nc(C3CC3)n[nH]2)c(F)c1 C1CC1[*:1] Cc1ccc(-c2nc(n[nH]2)[*:1])c(F)c1
CCn1cc(S(=O)(=O)N2CC[C@](F)(C(=O)OC)C2)cn1 COC(=O)[*:1] CCn1cc(cn1)S(=O)(=O)N1CC[C@](F)(C1)[*:1]
O=C(Cc1ccc[nH]1)N(CCc1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] O=C(Cc1ccc[nH]1)N(CC[*:1])C1CCCC1
O=C(Cc1ccc[nH]1)N(CCc1ccccc1)C1CCCC1 c1ccc(cc1)C[*:1] O=C(Cc1ccc[nH]1)N(C[*:1])C1CCCC1
O=C(Cc1ccc[nH]1)N(CCc1ccccc1)C1CCCC1 c1c[nH]c(c1)[*:1] O=C(C[*:1])N(CCc1ccccc1)C1CCCC1
O=C(Cc1ccc[nH]1)N(CCc1ccccc1)C1CCCC1 C1CCC(C1)[*:1] O=C(Cc1ccc[nH]1)N(CCc1ccccc1)[*:1]
O=C(Cc1ccc[nH]1)N(CCc1ccccc1)C1CCCC1 c1c[nH]c(c1)C[*:1] O=C(N(CCc1ccccc1)C1CCCC1)[*:1]
COc1ccc(Cn2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)cc1 O=S(=O)(c1ccc(F)cc1)[*:1] COc1ccc(cc1)Cn1c(N)c(c2nc3ccccc3nc21)[*:1]
COc1ccc(Cn2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)Cn1c(N)c(c2nc3ccccc3nc21)S(=O)(=O)[*:1]
COc1ccc(Cn2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)cc1 COc1ccc(cc1)C[*:1] Nc1c(c2nc3ccccc3nc2n1[*:1])S(=O)(=O)c1ccc(F)cc1
COc1ccc(Cn2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)cc1 COc1ccc(cc1)[*:1] Nc1c(c2nc3ccccc3nc2n1C[*:1])S(=O)(=O)c1ccc(F)cc1
Cn1cccc1CN(C(=O)c1cc2ccccc2oc1=O)C1CC1 C1CC1[*:1] Cn1cccc1CN(C(=O)c1cc2ccccc2oc1=O)[*:1]
Cn1cccc1CN(C(=O)c1cc2ccccc2oc1=O)C1CC1 Cn1cccc1C[*:1] O=C(c1cc2ccccc2oc1=O)N(C1CC1)[*:1]
Cn1cccc1CN(C(=O)c1cc2ccccc2oc1=O)C1CC1 Cn1cccc1[*:1] O=C(c1cc2ccccc2oc1=O)N(C[*:1])C1CC1
O=C(NCCOCC(F)(F)F)Nc1ccc(F)cc1F FC(F)(F)[*:1] O=C(NCCOC[*:1])Nc1ccc(F)cc1F
O=C(NCCOCC(F)(F)F)Nc1ccc(F)cc1F FC(F)(F)CO[*:1] O=C(NCC[*:1])Nc1ccc(F)cc1F
O=C(NCCOCC(F)(F)F)Nc1ccc(F)cc1F FC(F)(F)C[*:1] O=C(NCCO[*:1])Nc1ccc(F)cc1F
C[NH+](C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1)[*:1]
C[NH+](C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccs1 O=S(=O)(N1CCOCC1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cc(ccc1F)[*:1])c1cccs1
COc1ccc(CNC(=O)CCc2cnn(C)c2C)cc1 Cc1c(cnn1C)[*:1] COc1ccc(cc1)CNC(=O)CC[*:1]
O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnnn1Cc1ccco1)c1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] O=C([C@H](Sc1nnnn1Cc1ccco1)c1ccccc1)[*:1]
O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnnn1Cc1ccco1)c1ccccc1 c1coc(c1)[*:1] O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnnn1C[*:1])c1ccccc1
O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnnn1Cc1ccco1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnnn1Cc1ccco1)[*:1]
O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnnn1Cc1ccco1)c1ccccc1 c1coc(c1)C[*:1] O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnnn1[*:1])c1ccccc1
C[C@@H](NC(=O)/C=C/C1CC1)c1cccc([N-]S(C)(=O)=O)c1 C1CC1[*:1] C[C@@H](NC(=O)C=C[*:1])c1cccc(c1)[N-]S(C)(=O)=O
C[C@@H](NC(=O)/C=C/C1CC1)c1cccc([N-]S(C)(=O)=O)c1 C(=C[*:1])C1CC1 C[C@@H](NC(=O)[*:1])c1cccc(c1)[N-]S(C)(=O)=O
CC(C)(C)[S@](=O)CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 C1CC1[*:1] CC(C)(C)[S@](=O)CCNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)(C)[S@](=O)CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 CC(C)(C)[*:1] O=C(NCC[S@@](=O)[*:1])[C@@H]1CCCN(C1)C(=O)C1CC1
CCN(CC)C(=O)CCC(=O)N[C@@H](C)c1cccc2ccccc12 CCN(CC)C(=O)[*:1] C[C@H](NC(=O)CC[*:1])c1cccc2ccccc12
CCN(CC)C(=O)CCC(=O)N[C@@H](C)c1cccc2ccccc12 CCN(CC)C(=O)C[*:1] C[C@H](NC(=O)C[*:1])c1cccc2ccccc12
CCC[C@H](C)C(=O)N1CCC(OCc2ccccc2OC)CC1 CCC[*:1] COc1ccccc1COC1CCN(CC1)C(=O)[C@@H](C)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)c1csc(n1)-c1ccc(Cl)cc1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)c1csc(n1)[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@@H]3CCN(c4ccccc4)C3=O)cc12 c1ccc(cc1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@@H]1CCN(C1=O)[*:1]
O=C1C[C@H](c2ccccc2OCc2ccccc2)c2cc3c(cc2N1)OCO3 c1ccc(cc1)C[*:1] O=C1C[C@@H](c2cc3OCOc3cc2N1)c1ccccc1O[*:1]
O=C1C[C@H](c2ccccc2OCc2ccccc2)c2cc3c(cc2N1)OCO3 c1ccc(cc1)CO[*:1] O=C1C[C@@H](c2cc3OCOc3cc2N1)c1ccccc1[*:1]
O=C1C[C@H](c2ccccc2OCc2ccccc2)c2cc3c(cc2N1)OCO3 c1ccc(cc1)[*:1] O=C1C[C@@H](c2cc3OCOc3cc2N1)c1ccccc1OC[*:1]
CCc1ccc(CN(C)c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)CN(C)c1cc2nc[nH]c(=O)c2cc1[*:1]
CCc1ccc(CN(C)c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1 CCc1ccc(cc1)[*:1] CN(C[*:1])c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccn(C)c1=O CCC[*:1] Cn1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2[*:1])c1=O
c1ccc2c(c1)C[C@@H]2CNc1ccc2nnc(C3CC3)n2n1 C1CC1[*:1] c1ccc2c(c1)C[C@@H]2CNc1ccc2nnc(n2n1)[*:1]
CCCC[C@@H](COC)NC(=O)c1c[nH]c(C)cc1=O CCC[*:1] COC[C@H](C[*:1])NC(=O)c1c[nH]c(C)cc1=O
CCCC[C@@H](COC)NC(=O)c1c[nH]c(C)cc1=O COC[*:1] CCCC[C@@H](NC(=O)c1c[nH]c(C)cc1=O)[*:1]
CCCC[C@@H](COC)NC(=O)c1c[nH]c(C)cc1=O CCCC[*:1] COC[C@@H](NC(=O)c1c[nH]c(C)cc1=O)[*:1]
CC(C)c1ccccc1NC(=O)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)no1 CC(C)c1ccccc1[*:1] O=C(N[*:1])c1cc(no1)[C@H]1CCCN(C1)C(=O)C1CCCCC1
CC(C)c1ccccc1NC(=O)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)no1 CC(C)[*:1] O=C(Nc1ccccc1[*:1])c1cc(no1)[C@H]1CCCN(C1)C(=O)C1CCCCC1
CC(C)c1ccccc1NC(=O)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)no1 C1CCC(CC1)[*:1] CC(C)c1ccccc1NC(=O)c1cc(no1)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)(C)c1nccc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)n1 CC(C)(C)[*:1] c1cc(nc(n1)[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
COC(=O)c1ccsc1NC(=O)Cc1ccc2c(c1)OCO2 COC(=O)[*:1] O=C(Cc1ccc2OCOc2c1)Nc1sccc1[*:1]
CCC[C@H](C[NH3+])[C@H](O)c1ccc(OC)c(OC)c1Cl CCC[*:1] COc1ccc(c(Cl)c1OC)[C@@H](O)[C@@H](C[NH3+])[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)NC1CCN(S(C)(=O)=O)CC1 Fc1cccc(c1)[*:1] C[C@@H](CC[*:1])C(=O)NC1CCN(CC1)S(C)(=O)=O
C[C@@H](CCc1cccc(F)c1)C(=O)NC1CCN(S(C)(=O)=O)CC1 Fc1cccc(c1)C[*:1] C[C@@H](C[*:1])C(=O)NC1CCN(CC1)S(C)(=O)=O
CCCC[NH+]1CCN(S(=O)(=O)c2cc(-c3nnc(C)o3)co2)CC1 CCC[*:1] Cc1nnc(o1)-c1coc(c1)S(=O)(=O)N1CC[NH+](CC1)C[*:1]
CCCC[NH+]1CCN(S(=O)(=O)c2cc(-c3nnc(C)o3)co2)CC1 Cc1nnc(o1)[*:1] CCCC[NH+]1CCN(CC1)S(=O)(=O)c1cc(co1)[*:1]
CCCC[NH+]1CCN(S(=O)(=O)c2cc(-c3nnc(C)o3)co2)CC1 CCCC[*:1] Cc1nnc(o1)-c1coc(c1)S(=O)(=O)N1CC[NH+](CC1)[*:1]
C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)[C@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)[C@H](CO1)[*:1]
C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)[C@H](c2ccccc2)CO1 Fc1cccc(c1F)[*:1] C[C@@H]1CN(C(=O)C[*:1])[C@@H](CO1)c1ccccc1
CC/[NH+]=c1\c(NC(=O)c2cccs2)c(O)oc2ccccc12 c1csc(c1)[*:1] CC/[NH+]=c1\c(NC(=O)[*:1])c(O)oc2ccccc12
COC(=O)/C(=C\C=C\c1cccs1)C(C)=O COC(=O)[*:1] CC(=O)C(=C/C=C/c1cccs1)[*:1]
COC(=O)/C(=C\C=C\c1cccs1)C(C)=O CC(=O)[*:1] COC(=O)/C(=C\C=C\c1cccs1)[*:1]
COC(=O)/C(=C\C=C\c1cccs1)C(C)=O c1csc(c1)[*:1] COC(=O)/C(=C\C=C[*:1])C(C)=O
CCc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2N2CCCC2)c1 CCc1cccc(c1)[*:1] CN(Cc1ccccc1N1CCCC1)C(=O)C(=O)N[*:1]
CCc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2N2CCCC2)c1 C1CCN(C1)[*:1] CCc1cccc(c1)NC(=O)C(=O)N(C)Cc1ccccc1[*:1]
CN(C(=O)N[C@H](c1ccccc1)C1CCC1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)N[C@H](c1ccccc1)C1CCC1)[*:1]
CN(C(=O)N[C@H](c1ccccc1)C1CCC1)C1CCOCC1 c1ccc(cc1)[*:1] CN(C(=O)N[C@H](C1CCC1)[*:1])C1CCOCC1
CN(C(=O)N[C@H](c1ccccc1)C1CCC1)C1CCOCC1 C1CC(C1)[*:1] CN(C(=O)N[C@H](c1ccccc1)[*:1])C1CCOCC1
C[C@H]([NH2+][C@H](C)C[C@H]1CCCO1)[C@H](O)c1ccc(F)c(F)c1 C1CO[C@H](C1)[*:1] C[C@H]([NH2+][C@H](C)C[*:1])[C@H](O)c1ccc(F)c(F)c1
C[C@H]([NH2+][C@H](C)C[C@H]1CCCO1)[C@H](O)c1ccc(F)c(F)c1 C1CO[C@H](C1)C[*:1] C[C@H]([NH2+][C@H](C)[*:1])[C@H](O)c1ccc(F)c(F)c1
CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)NC1=S O=C(Nc1ccccc1)[*:1] CCN1C(=O)/C(=C\c2ccc(OC[*:1])c(c2)OC)NC1=S
CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)NC1=S c1ccc(cc1)[*:1] CCN1C(=O)/C(=C\c2ccc(OCC(=O)N[*:1])c(c2)OC)NC1=S
Cc1nn(C)c2ncc(NC(=O)N[C@H]3CCCC[C@H]3OC3CCCC3)cc12 C1CCC(C1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)N[C@H]1CCCC[C@H]1O[*:1]
Cc1nn(C)c2ncc(NC(=O)N[C@H]3CCCC[C@H]3OC3CCCC3)cc12 C1CCC(C1)O[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)N[C@H]1CCCC[C@@H]1[*:1]
COCCn1c(C)cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1C COCC[*:1] Cc1cc(C[NH+]2CCC(CC2)C(=O)N(C)C(C)C)c(C)n1[*:1]
COCCn1c(C)cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1C CC(C)N(C)C(=O)[*:1] COCCn1c(C)cc(C[NH+]2CCC(CC2)[*:1])c1C
COCCn1c(C)cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1C COC[*:1] Cc1cc(C[NH+]2CCC(CC2)C(=O)N(C)C(C)C)c(C)n1C[*:1]
COCCn1c(C)cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1C CC(C)[*:1] COCCn1c(C)cc(C[NH+]2CCC(CC2)C(=O)N(C)[*:1])c1C
O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2)[C@@H]1CCCO1 c1cc2OCOc2cc1C[*:1] O=C(NCCc1nnc2CCN(CCn12)[*:1])[C@@H]1CCCO1
O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2)[C@@H]1CCCO1 c1cc2OCOc2cc1[*:1] O=C(NCCc1nnc2CCN(CCn12)C[*:1])[C@@H]1CCCO1
COC(=O)[C@@H]1CCN(C(=O)COc2ccc3c(c2)CCC3)c2ccccc21 c1cc2CCCc2cc1[*:1] COC(=O)[C@@H]1CCN(C(=O)CO[*:1])c2ccccc21
COC(=O)[C@@H]1CCN(C(=O)COc2ccc3c(c2)CCC3)c2ccccc21 COC(=O)[*:1] O=C(COc1ccc2CCCc2c1)N1CC[C@H](c2ccccc21)[*:1]
O=C1CS/C(=N\N=C2CCCC2)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1CS/C(=N\N=C2CCCC2)N1[*:1]
COC(=O)c1ccc2c(NCc3ccccc3)nc(SC)nc2c1 COC(=O)[*:1] CSc1nc(NCc2ccccc2)c2ccc(cc2n1)[*:1]
COC(=O)c1ccc2c(NCc3ccccc3)nc(SC)nc2c1 c1ccc(cc1)C[*:1] COC(=O)c1ccc2c(nc(nc2c1)SC)N[*:1]
COC(=O)c1ccc2c(NCc3ccccc3)nc(SC)nc2c1 c1ccc(cc1)CN[*:1] COC(=O)c1ccc2c(nc(nc2c1)SC)[*:1]
COC(=O)c1ccc2c(NCc3ccccc3)nc(SC)nc2c1 c1ccc(cc1)[*:1] COC(=O)c1ccc2c(nc(nc2c1)SC)NC[*:1]
CC1(C)CN(C(=O)c2ccc(CSc3ncn[nH]3)cc2)CCS1 c1n[nH]c(n1)SC[*:1] CC1(C)CN(CCS1)C(=O)c1ccc(cc1)[*:1]
CC1(C)CN(C(=O)c2ccc(CSc3ncn[nH]3)cc2)CCS1 c1n[nH]c(n1)S[*:1] CC1(C)CN(CCS1)C(=O)c1ccc(cc1)C[*:1]
CC1(C)CN(C(=O)c2ccc(CSc3ncn[nH]3)cc2)CCS1 c1n[nH]c(n1)[*:1] CC1(C)CN(CCS1)C(=O)c1ccc(cc1)CS[*:1]
COc1ccc(C[NH+](C)CC(C)(C)O)cc1O CC(C)(O)C[*:1] COc1ccc(cc1O)C[NH+](C)[*:1]
COc1ccc(C[NH+](C)CC(C)(C)O)cc1O CC(C)(O)[*:1] COc1ccc(cc1O)C[NH+](C)C[*:1]
CCC[NH+]1CCN(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)CC1 Cc1nn(c(C)c1Br)[*:1] CCC[NH+]1CCN(CC1)C(=O)c1ccc(C[*:1])o1
CCC[NH+]1CCN(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)CC1 CCC[*:1] Cc1nn(Cc2ccc(o2)C(=O)N2CC[NH+](CC2)[*:1])c(C)c1Br
COc1ccccc1[C@@H]1C[C@@H]1NC(=O)Cc1csc(C(C)(C)C)n1 COc1ccccc1[*:1] CC(C)(C)c1nc(cs1)CC(=O)N[C@H]1C[C@H]1[*:1]
COc1ccccc1[C@@H]1C[C@@H]1NC(=O)Cc1csc(C(C)(C)C)n1 CC(C)(C)[*:1] COc1ccccc1[C@@H]1C[C@@H]1NC(=O)Cc1csc(n1)[*:1]
CC(C)CCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cccc(F)c1 c1csc(c1)[*:1] CC(C)CCNC(=O)[C@H]1CN(C[C@@H]1c1cccc(F)c1)C(=O)[*:1]
CC(C)CCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cccc(F)c1 CC(C)[*:1] O=C(NCC[*:1])[C@H]1CN(C[C@@H]1c1cccc(F)c1)C(=O)c1cccs1
CC(C)CCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cccc(F)c1 CC(C)C[*:1] O=C(NC[*:1])[C@H]1CN(C[C@@H]1c1cccc(F)c1)C(=O)c1cccs1
CC(C)CCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cccc(F)c1 CC(C)CCNC(=O)[*:1] O=C(c1cccs1)N1C[C@H](c2cccc(F)c2)[C@H](C1)[*:1]
CC(C)CCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)CCNC(=O)[C@H]1CN(C[C@H]1[*:1])C(=O)c1cccs1
CC(C)CCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cccc(F)c1 CC(C)CC[*:1] O=C(N[*:1])[C@H]1CN(C[C@@H]1c1cccc(F)c1)C(=O)c1cccs1
CSc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 CSc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C)cc3nc(NN)sc3c2C)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)Nc1c(C)cc2nc(NN)sc2c1C)[*:1]
O=C(Cn1cnc2ccccc21)NCc1cc(-c2ccc3c(c2)OCO3)on1 c1ccc2c(c1)ncn2[*:1] O=C(C[*:1])NCc1cc(on1)-c1ccc2OCOc2c1
O=C(Cn1cnc2ccccc21)NCc1cc(-c2ccc3c(c2)OCO3)on1 c1cc2OCOc2cc1[*:1] O=C(Cn1cnc2ccccc21)NCc1cc(on1)[*:1]
CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1cc(C#N)ccn1 CC(C)C[*:1] C[C@@H](Sc1cc(C#N)ccn1)C(=O)NC(=O)N[*:1]
CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1cc(C#N)ccn1 CC(C)[*:1] C[C@@H](Sc1cc(C#N)ccn1)C(=O)NC(=O)NC[*:1]
Cc1cc2ccccc2nc1NCC(=O)NCC(F)(F)F FC(F)(F)C[*:1] Cc1cc2ccccc2nc1NCC(=O)N[*:1]
Cc1cc2ccccc2nc1NCC(=O)NCC(F)(F)F FC(F)(F)[*:1] Cc1cc2ccccc2nc1NCC(=O)NC[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)c1cn(CC(C)C)c2ccccc12 CC(C)C[*:1] Cc1ccc(cc1NC(=O)c1cn(c2ccccc12)[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)c1cn(CC(C)C)c2ccccc12 CC(C)[*:1] Cc1ccc(cc1NC(=O)c1cn(C[*:1])c2ccccc12)C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)c1cn(CC(C)C)c2ccccc12 NC(=O)[*:1] Cc1ccc(cc1NC(=O)c1cn(CC(C)C)c2ccccc12)[*:1]
C[C@@H](O)c1nc2ccccc2n1CCOc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](O)c1nc2ccccc2n1CCO[*:1]
C[C@@H](O)c1nc2ccccc2n1CCOc1ccc(Br)cc1 C[C@@H](O)[*:1] Brc1ccc(cc1)OCCn1c(nc2ccccc21)[*:1]
CC(C)[C@@H]1c2cccn2CCN1C(=O)c1cc(-c2ccccn2)n[nH]1 CC(C)[*:1] O=C(c1cc(n[nH]1)-c1ccccn1)N1CCn2cccc2[C@H]1[*:1]
CC(C)[C@@H]1c2cccn2CCN1C(=O)c1cc(-c2ccccn2)n[nH]1 c1ccc(nc1)[*:1] CC(C)[C@@H]1c2cccn2CCN1C(=O)c1cc(n[nH]1)[*:1]
COc1ccc(C(=O)c2cn(CCC[C@H](C)O)c3ccccc23)cc1 COc1ccc(cc1)[*:1] C[C@H](O)CCCn1cc(C(=O)[*:1])c2ccccc21
O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1nc(cs1)-c1cc(F)ccc1F)[*:1]
CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2Cl)C1 Clc1ccccc1O[*:1] CCC(=O)N[C@@H]1CCCN(C1)C(=O)NC[C@@H](C)[*:1]
CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2Cl)C1 CCC(=O)N[*:1] C[C@H](CNC(=O)N1CCC[C@H](C1)[*:1])Oc1ccccc1Cl
CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2Cl)C1 Clc1ccccc1[*:1] CCC(=O)N[C@@H]1CCCN(C1)C(=O)NC[C@@H](C)O[*:1]
COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1 COc1ccc(cc1)[*:1] O=C(CCc1csc(n1)NC(=O)c1ccco1)N[*:1]
COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1 O=C(N[*:1])c1ccco1 COc1ccc(cc1)NC(=O)CCc1csc(n1)[*:1]
COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)NC(=O)CCc1csc(n1)NC(=O)[*:1]
Cc1ccc(F)cc1-c1ccc(F)cc1C(=O)[O-] O=C([O-])[*:1] Cc1ccc(F)cc1-c1ccc(F)cc1[*:1]
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 c1ccc(cc1)[*:1] C[C@@H](c1cccc(c1)NC(=O)[*:1])N(C)S(=O)(=O)c1ccc2OCCCOc2c1
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 O=C(N[*:1])c1ccccc1 C[C@@H](c1cccc(c1)[*:1])N(C)S(=O)(=O)c1ccc2OCCCOc2c1
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 c1cc2OCCCOc2cc1[*:1] C[C@@H](c1cccc(c1)NC(=O)c1ccccc1)N(C)S(=O)(=O)[*:1]
COc1ccc(-c2noc(-c3cn(CC(=O)Nc4cc(C)ccc4C)c4nc(C)ccc4c3=O)n2)cc1 Cc1ccc(C)c(c1)NC(=O)C[*:1] COc1ccc(cc1)-c1noc(n1)-c1cn(c2nc(C)ccc2c1=O)[*:1]
COc1ccc(-c2noc(-c3cn(CC(=O)Nc4cc(C)ccc4C)c4nc(C)ccc4c3=O)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)Cn1cc(-c2nc(no2)[*:1])c(=O)c2ccc(C)nc21
COc1ccc(-c2noc(-c3cn(CC(=O)Nc4cc(C)ccc4C)c4nc(C)ccc4c3=O)n2)cc1 Cc1ccc(C)c(c1)NC(=O)[*:1] COc1ccc(cc1)-c1noc(n1)-c1cn(C[*:1])c2nc(C)ccc2c1=O
COc1ccc(-c2noc(-c3cn(CC(=O)Nc4cc(C)ccc4C)c4nc(C)ccc4c3=O)n2)cc1 Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1)-c1noc(n1)-c1cn(CC(=O)N[*:1])c2nc(C)ccc2c1=O
CCCc1noc(CS(=O)(=O)CCc2ccccc2)n1 c1ccc(cc1)[*:1] CCCc1noc(CS(=O)(=O)CC[*:1])n1
CCCc1noc(CS(=O)(=O)CCc2ccccc2)n1 CCC[*:1] O=S(=O)(CCc1ccccc1)Cc1nc(no1)[*:1]
COc1cccc(-n2cnc3cc(C(=O)Nc4ccccc4F)ccc3c2=O)c1 COc1cccc(c1)[*:1] O=C(Nc1ccccc1F)c1ccc2c(=O)n(cnc2c1)[*:1]
COc1cccc(-n2cnc3cc(C(=O)Nc4ccccc4F)ccc3c2=O)c1 Fc1ccccc1[*:1] COc1cccc(c1)-n1cnc2cc(ccc2c1=O)C(=O)N[*:1]
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)/C=C/c2nc3ccccc3o2)c1 c1ccc2oc(nc2c1)[*:1] Cc1ccc(c(c1)OCC(=O)NNC(=O)C=C[*:1])C(C)C
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)/C=C/c2nc3ccccc3o2)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)NNC(=O)/C=C/c1nc2ccccc2o1)[*:1]
CCCc1nnsc1C(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 O=C([O-])[*:1] CCCc1nnsc1C(=O)NC[C@@H]1CC[C@@H](O1)[*:1]
CCCc1nnsc1C(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 CCC[*:1] O=C(NC[C@@H]1CC[C@H](O1)C(=O)[O-])c1snnc1[*:1]
Cc1cc(NC(=O)CCCC(=O)NC(C)C)c(C(N)=O)cc1F CC(C)NC(=O)C[*:1] Cc1cc(NC(=O)CC[*:1])c(cc1F)C(N)=O
Cc1cc(NC(=O)CCCC(=O)NC(C)C)c(C(N)=O)cc1F NC(=O)[*:1] Cc1cc(NC(=O)CCCC(=O)NC(C)C)c(cc1F)[*:1]
Cc1cc(NC(=O)CCCC(=O)NC(C)C)c(C(N)=O)cc1F CC(C)[*:1] Cc1cc(NC(=O)CCCC(=O)N[*:1])c(cc1F)C(N)=O
Cc1cc(NC(=O)CCCC(=O)NC(C)C)c(C(N)=O)cc1F CC(C)NC(=O)[*:1] Cc1cc(NC(=O)CCC[*:1])c(cc1F)C(N)=O
C[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@H](c1nccs1)C1CC1 C1CC1[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@H](c1nccs1)[*:1]
C[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@H](c1nccs1)C1CC1 c1csc(n1)[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@H](C1CC1)[*:1]
C[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@H](c1nccs1)C1CC1 Clc1ccccc1[*:1] C[C@@H](N(C)C(=O)N[C@H](c1nccs1)C1CC1)[*:1]
Cc1cc(F)ccc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 O=[N+]([O-])[*:1] Cc1cc(F)ccc1CN1CCN(CC1)C(=O)c1ccc(s1)[*:1]
Cc1cc(F)ccc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 Cc1cc(F)ccc1[*:1] O=C(c1ccc(s1)[N+](=O)[O-])N1CCN(CC1)C[*:1]
Cc1cc(F)ccc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 O=[N+]([O-])c1ccc(s1)[*:1] Cc1cc(F)ccc1CN1CCN(CC1)C(=O)[*:1]
CCC1(CNC(=O)[C@H](C)Sc2ccccn2)CC1 CCC1(CC1)C[*:1] C[C@H](Sc1ccccn1)C(=O)N[*:1]
CCC1(CNC(=O)[C@H](C)Sc2ccccn2)CC1 c1ccc(nc1)[*:1] CCC1(CC1)CNC(=O)[C@H](C)S[*:1]
CCC1(CNC(=O)[C@H](C)Sc2ccccn2)CC1 CCC1(CC1)[*:1] C[C@H](Sc1ccccn1)C(=O)NC[*:1]
C[C@@H](NC(=O)CCCO)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)CCCO)c1cccc(c1)[*:1]
C[C@@H](NC(=O)CCCO)c1cccc([N+](=O)[O-])c1 OCCC[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
C[C@@H](NC(=O)CCCO)c1cccc([N+](=O)[O-])c1 OCC[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(c1)[N+](=O)[O-]
COc1cc(/C=N/N=C2\NC(=O)C(C)(C)S2)ccc1OS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(/C=N/N=C2\NC(=O)C(C)(C)S2)ccc1OS(=O)(=O)[*:1]
C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1)[*:1]
C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1)c1nc2ccccc2[nH]1 c1cncc(c1)[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1[*:1])c1nc2ccccc2[nH]1
Oc1ccc(OCCBr)cc1 BrCC[*:1] Oc1ccc(cc1)O[*:1]
COc1ccc2cc(-c3csc(Nc4ccccc4)n3)c(=O)oc2c1 c1ccc(cc1)[*:1] COc1ccc2cc(-c3csc(n3)N[*:1])c(=O)oc2c1
COc1ccc2cc(-c3csc(Nc4ccccc4)n3)c(=O)oc2c1 c1ccc(cc1)N[*:1] COc1ccc2cc(-c3csc(n3)[*:1])c(=O)oc2c1
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 CC(C)(C)[*:1] O=C(Nc1ccc2[nH]ccc2c1)[C@H]1C[C@H](O)CN1C(=O)O[*:1]
CN(CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccc(Cl)nc1 Clc1ccc(cn1)C[*:1] CN(CC(=O)N[C@H]1CCOc2ccccc21)[*:1]
CN(CC(=O)N[C@H]1CCOc2ccccc21)Cc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CN(CC(=O)N[C@H]1CCOc2ccccc21)C[*:1]
O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N[C@H](CCO)c1ccccc1 OCC[*:1] O=C(Nc1ccc2OC3(CCCC3)Oc2c1)N[C@H](c1ccccc1)[*:1]
O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N[C@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2OC3(CCCC3)Oc2c1)N[C@H](CCO)[*:1]
CCOC(=O)[C@H]1[C@@H](C(=O)NN)[C@@H]1C(=O)Nc1ccccc1 NNC(=O)[*:1] CCOC(=O)[C@@H]1[C@@H](C(=O)Nc2ccccc2)[C@H]1[*:1]
CCOC(=O)[C@H]1[C@@H](C(=O)NN)[C@@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1[C@@H](C(=O)NN)[C@@H]1C(=O)N[*:1]
CCOC(=O)[C@H]1[C@@H](C(=O)NN)[C@@H]1C(=O)Nc1ccccc1 CCOC(=O)[*:1] NNC(=O)[C@H]1[C@H](C(=O)Nc2ccccc2)[C@H]1[*:1]
COCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(N)cc1OC COC[*:1] COc1cc(N)ccc1NC(=O)[C@@H](C)S(=O)(=O)C[*:1]
COCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(N)cc1OC COCC[*:1] COc1cc(N)ccc1NC(=O)[C@@H](C)S(=O)(=O)[*:1]
COCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(N)cc1OC COCCS(=O)(=O)[*:1] COc1cc(N)ccc1NC(=O)[C@@H](C)[*:1]
COc1cc(/C=C2/CCc3cc(OC(C)(C)C(=O)[O-])ccc3C2=O)cc(OC)c1O O=C([O-])[*:1] COc1cc(/C=C2/CCc3cc(ccc3C2=O)OC(C)(C)[*:1])cc(OC)c1O
COc1cc(/C=C2/CCc3cc(OC(C)(C)C(=O)[O-])ccc3C2=O)cc(OC)c1O CC(C)(O[*:1])C(=O)[O-] COc1cc(/C=C2/CCc3cc(ccc3C2=O)[*:1])cc(OC)c1O
O=C(CNC(=O)OCc1ccccc1)N[C@H]1C[C@H]2CCCc3cccc1c32 c1ccc(cc1)C[*:1] O=C(CNC(=O)O[*:1])N[C@H]1C[C@H]2CCCc3cccc1c32
O=C(CNC(=O)OCc1ccccc1)N[C@H]1C[C@H]2CCCc3cccc1c32 c1ccc(cc1)[*:1] O=C(CNC(=O)OC[*:1])N[C@H]1C[C@H]2CCCc3cccc1c32
CCc1c(C(=O)N[C@@H](C(N)=O)[C@@H](C)CC)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)N[C@@H](C(N)=O)[C@@H](C)CC
CCc1c(C(=O)N[C@@H](C(N)=O)[C@@H](C)CC)[nH]c(C)c1C(C)=O CC[C@H](C)[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)N[C@@H](C(N)=O)[*:1]
CCc1c(C(=O)N[C@@H](C(N)=O)[C@@H](C)CC)[nH]c(C)c1C(C)=O NC(=O)[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)N[C@@H]([C@@H](C)CC)[*:1]
CSC[C@H]1CCN(C(=O)Nc2ccc(Br)nc2C)C1 CSC[*:1] Cc1nc(Br)ccc1NC(=O)N1CC[C@@H](C1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 Cc1ccc(cc1)[*:1] N#Cc1cccnc1N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 N#Cc1cccnc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(Cl)cc1NCC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NCC(=O)NC[*:1]
CCn1cc(/C=N/NC(=O)c2ccccc2OC)c2ccccc21 COc1ccccc1[*:1] CCn1cc(/C=N/NC(=O)[*:1])c2ccccc21
CC(C)[C@H](C)CNC(=O)[C@H]1Cc2[nH+]c[nH]c2CN1 CC(C)[C@H](C)[*:1] O=C(NC[*:1])[C@H]1Cc2[nH+]c[nH]c2CN1
CC(C)[C@H](C)CNC(=O)[C@H]1Cc2[nH+]c[nH]c2CN1 CC(C)[C@H](C)C[*:1] O=C(N[*:1])[C@H]1Cc2[nH+]c[nH]c2CN1
CC(C)[C@H](C)CNC(=O)[C@H]1Cc2[nH+]c[nH]c2CN1 CC(C)[*:1] C[C@H](CNC(=O)[C@H]1Cc2[nH+]c[nH]c2CN1)[*:1]
O=C(COC(=O)c1ccco1)Nc1ccc(Br)cc1Cl c1coc(c1)[*:1] O=C(COC(=O)[*:1])Nc1ccc(Br)cc1Cl
CCOC(=O)CN1CCN(c2cccc(Cl)c2)CC1 CCOC(=O)[*:1] Clc1cccc(c1)N1CCN(CC1)C[*:1]
CCOC(=O)CN1CCN(c2cccc(Cl)c2)CC1 CCOC(=O)C[*:1] Clc1cccc(c1)N1CCN(CC1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(c1)O[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)O[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
CCc1cc(Oc2cncc(C(=O)[O-])n2)ccc1Cl O=C([O-])[*:1] CCc1cc(ccc1Cl)Oc1cncc(n1)[*:1]
COc1ccc(C)cc1NC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 COc1ccc(C)cc1[*:1] CN(C)C(=O)c1ccc2c(c1)N(CC(=O)N[*:1])C(=O)[C@@H]1CCCCN21
COc1ccc(C)cc1NC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 CN(C)C(=O)[*:1] COc1ccc(C)cc1NC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)[*:1]
CN(CC(C)(CO)CO)c1cc[nH+]c2ccc(Cl)cc12 CC(CO)(CO)[*:1] CN(C[*:1])c1cc[nH+]c2ccc(Cl)cc12
Cc1ccc2sc(N(CC[NH+](C)C)C(=O)Cc3ccccc3)nc2c1C c1ccc(cc1)C[*:1] Cc1ccc2sc(nc2c1C)N(CC[NH+](C)C)C(=O)[*:1]
Cc1ccc2sc(N(CC[NH+](C)C)C(=O)Cc3ccccc3)nc2c1C c1ccc(cc1)[*:1] Cc1ccc2sc(nc2c1C)N(CC[NH+](C)C)C(=O)C[*:1]
COc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2F)[NH+](C)C)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)[C@@H](CNC(=O)N(C)[*:1])[NH+](C)C
COc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2F)[NH+](C)C)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)[C@@H](CNC(=O)N(C)C[*:1])[NH+](C)C
COc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2F)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] CN(Cc1ccccc1F)C(=O)NC[C@@H]([NH+](C)C)[*:1]
O=C(Cc1ccc(N2CCCC2=O)cc1)OCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)OCc1cccc(c1)[*:1]
O=C(Cc1ccc(N2CCCC2=O)cc1)OCc1cccc([N+](=O)[O-])c1 O=C1CCCN1[*:1] O=C(Cc1ccc(cc1)[*:1])OCc1cccc(c1)[N+](=O)[O-]
CCCC(=O)Oc1ccc(C#N)cc1OC CCC[*:1] COc1cc(C#N)ccc1OC(=O)[*:1]
CCc1ccccc1Nc1nc(N)nc(CN(C)C[C@H]2COc3ccccc3O2)n1 CCc1ccccc1[*:1] CN(Cc1nc(N)nc(n1)N[*:1])C[C@H]1COc2ccccc2O1
CCc1ccccc1Nc1nc(N)nc(CN(C)C[C@H]2COc3ccccc3O2)n1 CCc1ccccc1N[*:1] CN(Cc1nc(N)nc(n1)[*:1])C[C@H]1COc2ccccc2O1
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@](O)([C@H](C)OC(C)=O)[C@@]4(C)CC[C@H]32)C1 CC(=O)O[*:1] CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@](O)([C@H](C)[*:1])[C@@]4(C)CC[C@H]32)C1
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@](O)([C@H](C)OC(C)=O)[C@@]4(C)CC[C@H]32)C1 CC(=O)O[*:1] CC(=O)O[C@@H](C)[C@@]1(O)CC[C@H]2[C@H]3CC=C4C[C@H](CC[C@]4(C)[C@@H]3CC[C@@]21C)[*:1]
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@](O)([C@H](C)OC(C)=O)[C@@]4(C)CC[C@H]32)C1 CC(=O)O[C@@H](C)[*:1] CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@](O)([C@@]4(C)CC[C@H]32)[*:1])C1
O=C(NCCCOC[C@@H]1CCCO1)N1C[C@H]2CC=CC[C@@H]2C1 C1CO[C@@H](C1)[*:1] O=C(NCCCOC[*:1])N1C[C@H]2CC=CC[C@@H]2C1
O=C(NCCCOC[C@@H]1CCCO1)N1C[C@H]2CC=CC[C@@H]2C1 C1CO[C@@H](C1)C[*:1] O=C(NCCCO[*:1])N1C[C@H]2CC=CC[C@@H]2C1
O=C(NCCCOC[C@@H]1CCCO1)N1C[C@H]2CC=CC[C@@H]2C1 C1CO[C@@H](C1)CO[*:1] O=C(NCCC[*:1])N1C[C@H]2CC=CC[C@@H]2C1
CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccnn2Cc2ccccn2)C1 c1ccc(C[*:1])nc1 CCS[C@H]1CC[C@@H](C1)N(C)C(=O)Nc1ccnn1[*:1]
CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccnn2Cc2ccccn2)C1 CCS[*:1] CN(C(=O)Nc1ccnn1Cc1ccccn1)[C@H]1CC[C@@H](C1)[*:1]
CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccnn2Cc2ccccn2)C1 c1ccc(nc1)[*:1] CCS[C@H]1CC[C@@H](C1)N(C)C(=O)Nc1ccnn1C[*:1]
Cn1nccc1CNC(=O)N[C@@H]1CCc2c(Br)cccc21 Cn1nccc1C[*:1] O=C(N[C@@H]1CCc2c(Br)cccc21)N[*:1]
Cn1nccc1CNC(=O)N[C@@H]1CCc2c(Br)cccc21 Cn1nccc1[*:1] O=C(NC[*:1])N[C@@H]1CCc2c(Br)cccc21
CC[C@H](C)NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N CC[C@H](C)[*:1] Cc1ccc2cc(C#N)c(nc2c1C)SCC(=O)N[*:1]
CC[C@H](C)NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N CC[C@H](C)NC(=O)[*:1] Cc1ccc2cc(C#N)c(nc2c1C)SC[*:1]
CCOC(=O)c1csc(NC(=O)c2ccc3nc(C)c(C)nc3c2)n1 CCOC(=O)[*:1] Cc1nc2ccc(cc2nc1C)C(=O)Nc1nc(cs1)[*:1]
CCOC(=O)C1(C(=O)NCc2cn(-c3ccccc3)nn2)CC1 CCOC(=O)[*:1] O=C(NCc1cn(nn1)-c1ccccc1)C1(CC1)[*:1]
CCOC(=O)C1(C(=O)NCc2cn(-c3ccccc3)nn2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(CC1)C(=O)NCc1cn(nn1)[*:1]
Cc1c(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)CN1C[C@@H](Oc2ccccc21)C(=O)N1CCOCC1
Cc1c(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cccc1[N+](=O)[O-] O=C(N1CCOCC1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)CN1C[C@H](Oc2ccccc21)[*:1]
Cc1c(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cccc1[N+](=O)[O-] Cc1c(cccc1[*:1])[N+](=O)[O-] O=C(CN1C[C@@H](Oc2ccccc21)C(=O)N1CCOCC1)N[*:1]
Cc1c(CNC(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cnn1C FC(F)(F)[*:1] Cc1c(cnn1C)CNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1[*:1]
Cc1c(CNC(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cnn1C Cc1c(cnn1C)[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F
Cc1c(CNC(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cnn1C Cc1c(cnn1C)C[*:1] O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)N[*:1]
COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2cc3cc(C)ccc3n2C)CC1 COc1cccc(OC)c1[*:1] Cc1ccc2c(c1)cc(C(=O)N1CCN(CC1)C(=O)[*:1])n2C
C[C@@]1(CO)CCC[C@@H]1NC(=O)NCc1ccnc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@]1(CO)CCC[C@@H]1NC(=O)NCc1ccnc(c1)OC[*:1]
C[C@@]1(CO)CCC[C@@H]1NC(=O)NCc1ccnc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] C[C@@]1(CO)CCC[C@@H]1NC(=O)NCc1ccnc(c1)O[*:1]
C[C@@]1(CO)CCC[C@@H]1NC(=O)NCc1ccnc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] C[C@@]1(CO)CCC[C@@H]1NC(=O)NCc1ccnc(c1)[*:1]
COC(=O)c1cncc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 C1CC1[*:1] COC(=O)c1cncc(c1)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
COC(=O)c1cncc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 COC(=O)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cncc(c1)[*:1]
COC(=O)c1cncc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 Clc1ccc(cc1)[*:1] COC(=O)c1cncc(c1)C(=O)N[C@H](C1CC1)[*:1]
CC[C@H](C)C(=O)Nc1cc(C)cc2cccnc12 CC[C@H](C)[*:1] Cc1cc(NC(=O)[*:1])c2ncccc2c1
C[C@H](c1ccccc1)N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCOCC2)CC1=O C[C@H](c1ccccc1)[*:1] O=C(Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1])N1CCOCC1
C[C@H](c1ccccc1)N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCOCC2)CC1=O O=C(N1CCOCC1)[*:1] C[C@H](c1ccccc1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
C[C@H](c1ccccc1)N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCOCC2)CC1=O c1ccc(cc1)[*:1] C[C@H](N1C[C@H](CC1=O)c1nc2ccccc2n1CC(=O)N1CCOCC1)[*:1]
C[C@H](c1ccccc1)N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCOCC2)CC1=O O=C(C[*:1])N1CCOCC1 C[C@H](c1ccccc1)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
CCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(C)=O)cs1 CCC(=O)N[*:1] CC(=O)N1CCc2cc(ccc21)-c1csc(n1)[*:1]
C[C@H](O)CCN(C)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 C[C@H](O)CC[*:1] CN(C(=O)Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
C[C@H](O)CCN(C)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 C[C@H](O)C[*:1] CN(C[*:1])C(=O)Nc1cnn(c1)CC[NH+]1CCCCC1
C[C@H](O)CCN(C)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 C[C@H](O)[*:1] CN(CC[*:1])C(=O)Nc1cnn(c1)CC[NH+]1CCCCC1
CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cnc(N(C)C)s1 C1CC1[*:1] CC[C@@H]1CN(CC[C@H]1[NH2+]Cc1cnc(s1)N(C)C)C(=O)[*:1]
CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cnc(N(C)C)s1 CN(C)[*:1] CC[C@@H]1CN(CC[C@H]1[NH2+]Cc1cnc(s1)[*:1])C(=O)C1CC1
O=C(CCn1c(=O)oc2ccccc21)NCc1nc(-c2cccs2)no1 c1csc(c1)[*:1] O=C(CCn1c(=O)oc2ccccc21)NCc1nc(no1)[*:1]
C[C@H](CNC(=O)N[C@@H]1CCc2ccccc21)CC1(C)OCCO1 CC1(OCCO1)[*:1] C[C@H](CNC(=O)N[C@@H]1CCc2ccccc21)C[*:1]
O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 c1ccc2[nH]c(nc2c1)[*:1] O=C(c1cc2ccccc2[nH]1)N1CCN(CC1)C[*:1]
O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 c1ccc2[nH]c(cc2c1)[*:1] O=C(N1CCN(CC1)Cc1nc2ccccc2[nH]1)[*:1]
CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 O=[N+]([O-])[*:1] CCN(C(=O)Cc1ccc(cc1)[*:1])c1ccccc1
CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)Cc1ccc(cc1)[N+](=O)[O-])[*:1]
CCc1cccc(C)c1NC(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)c1cnc(C[*:1])s1
CCc1cccc(C)c1NC(=O)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] CCc1cccc(C)c1NC(=O)c1cnc(s1)[*:1]
NC(=O)[C@@H]1CCCN1C(=O)CSc1ccccc1Cl NC(=O)[*:1] O=C(CSc1ccccc1Cl)N1CCC[C@H]1[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 O=C1c2ccccc2C(=O)N1[*:1] O=C(C[*:1])N1CC[NH+](CC1)C1c2ccccc2-c2ccccc21
CC[C@H](Sc1nnnn1-c1ccc(O)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](Sc1nnnn1-c1ccc(O)cc1)[*:1]
CC[C@H](Sc1nnnn1-c1ccc(O)cc1)c1ccc(Cl)cc1 Oc1ccc(cc1)[*:1] CC[C@H](Sc1nnnn1[*:1])c1ccc(Cl)cc1
CN(C(=O)NCc1ccc(Cn2ccccc2=O)cc1)C1CCCCC1 O=c1ccccn1[*:1] CN(C(=O)NCc1ccc(cc1)C[*:1])C1CCCCC1
CN(C(=O)NCc1ccc(Cn2ccccc2=O)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)NCc1ccc(cc1)Cn1ccccc1=O)[*:1]
CN(C(=O)NCc1ccc(Cn2ccccc2=O)cc1)C1CCCCC1 O=c1ccccn1C[*:1] CN(C(=O)NCc1ccc(cc1)[*:1])C1CCCCC1
O=C1COCCN1CCC[NH2+]C1CC1 C1CC1[*:1] O=C1COCCN1CCC[NH2+][*:1]
O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCCC1)N[*:1]
O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)Nc1ccncc1 C1CCCN(CC1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])Nc1ccncc1
C[C@@H]1CN(Cn2c(-c3ccccc3)csc2=S)CCO1 c1ccc(cc1)[*:1] C[C@@H]1CN(CCO1)Cn1c(csc1=S)[*:1]
O=[N+]([O-])c1ccc(Cl)c(/C=N/N2C(=S)[NH+]=N[C@H]2c2ccc(Cl)cc2)c1 O=[N+]([O-])[*:1] S=C1[NH+]=N[C@@H](c2ccc(Cl)cc2)N1/N=C/c1cc(ccc1Cl)[*:1]
O=[N+]([O-])c1ccc(Cl)c(/C=N/N2C(=S)[NH+]=N[C@H]2c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(Cl)c(/C=N/N2C(=S)[NH+]=N[C@@H]2[*:1])c1
CCOc1ccc2cc(C(=O)Oc3ccc(C(=O)OC)cc3)c(=O)oc2c1 CCO[*:1] COC(=O)c1ccc(cc1)OC(=O)c1cc2ccc(cc2oc1=O)[*:1]
CCOc1ccc2cc(C(=O)Oc3ccc(C(=O)OC)cc3)c(=O)oc2c1 COC(=O)[*:1] CCOc1ccc2cc(C(=O)Oc3ccc(cc3)[*:1])c(=O)oc2c1
CN(C)C(=O)CN(C)c1cncc(OCc2ccccc2)n1 c1ccc(cc1)C[*:1] CN(C)C(=O)CN(C)c1cncc(n1)O[*:1]
CN(C)C(=O)CN(C)c1cncc(OCc2ccccc2)n1 CN(C)C(=O)[*:1] CN(C[*:1])c1cncc(n1)OCc1ccccc1
CN(C)C(=O)CN(C)c1cncc(OCc2ccccc2)n1 CN(C)C(=O)C[*:1] CN(c1cncc(n1)OCc1ccccc1)[*:1]
CN(C)C(=O)CN(C)c1cncc(OCc2ccccc2)n1 c1ccc(cc1)[*:1] CN(C)C(=O)CN(C)c1cncc(n1)OC[*:1]
CCCCn1ccnc1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C CCCC[*:1] Cc1ccc(cc1C(=O)c1nccn1[*:1])S(=O)(=O)N1CCOCC1
CCCCn1ccnc1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C O=S(=O)(N1CCOCC1)[*:1] CCCCn1ccnc1C(=O)c1cc(ccc1C)[*:1]
CCCCn1ccnc1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C CCCCn1ccnc1[*:1] Cc1ccc(cc1C(=O)[*:1])S(=O)(=O)N1CCOCC1
CCCCn1ccnc1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C CCC[*:1] Cc1ccc(cc1C(=O)c1nccn1C[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc2[nH]c([C@H](O)[C@@H](O)C(=O)[O-])nc2c1 O=C([O-])[*:1] Cc1ccc2[nH]c(nc2c1)[C@H](O)[C@@H](O)[*:1]
Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2C)c(Cl)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)COc2cccc(c2C)[*:1])c(Cl)c1
Cc1noc([C@H](OC(=O)[C@@H](C)Sc2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@H](OC(=O)[C@@H](C)Sc1ccccc1)[*:1]
Cc1noc([C@H](OC(=O)[C@@H](C)Sc2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@H](OC(=O)[C@@H](C)S[*:1])c1ccccc1
Cc1noc([C@H](OC(=O)[C@@H](C)Sc2ccccc2)c2ccccc2)n1 Cc1noc(n1)[*:1] C[C@@H](Sc1ccccc1)C(=O)O[C@H](c1ccccc1)[*:1]
Cc1noc([C@H](OC(=O)[C@@H](C)Sc2ccccc2)c2ccccc2)n1 c1ccc(cc1)S[*:1] Cc1noc(n1)[C@H](OC(=O)[C@@H](C)[*:1])c1ccccc1
COc1ccc(NC(C)=O)cc1NC(=O)c1cccnc1SC CC(=O)N[*:1] COc1ccc(cc1NC(=O)c1cccnc1SC)[*:1]
CCCc1nnc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)s1 FC(F)(F)[*:1] CCCc1nnc([N-]S(=O)(=O)c2cccc(c2)[*:1])s1
CCCc1nnc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)s1 CCC[*:1] O=S(=O)([N-]c1nnc(s1)[*:1])c1cccc(c1)C(F)(F)F
CCOC(=O)Cn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(NC(C)=O)ccc21 CC(=O)N[*:1] CCOC(=O)Cn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(ccc21)[*:1]
CCOC(=O)Cn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(NC(C)=O)ccc21 CCOC(=O)C[*:1] CC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)CN1C(=O)c3ccccc3C1=O)n2[*:1]
CCOC(=O)Cn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(NC(C)=O)ccc21 O=C1c2ccccc2C(=O)N1[*:1] CCOC(=O)Cn1/c(=N/C(=O)C[*:1])sc2cc(ccc21)NC(C)=O
CCOC(=O)Cn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(NC(C)=O)ccc21 CCOC(=O)[*:1] CC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)CN1C(=O)c3ccccc3C1=O)n2C[*:1]
C[C@@H]1CCc2nc(NC(=O)c3ccc(OCc4nccn4C)cc3)sc2C1 Cn1ccnc1[*:1] C[C@@H]1CCc2nc(NC(=O)c3ccc(cc3)OC[*:1])sc2C1
C[C@@H]1CCc2nc(NC(=O)c3ccc(OCc4nccn4C)cc3)sc2C1 Cn1ccnc1C[*:1] C[C@@H]1CCc2nc(NC(=O)c3ccc(cc3)O[*:1])sc2C1
C[C@@H]1CCc2nc(NC(=O)c3ccc(OCc4nccn4C)cc3)sc2C1 Cn1ccnc1CO[*:1] C[C@@H]1CCc2nc(NC(=O)c3ccc(cc3)[*:1])sc2C1
C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H](C)c1cccs1 c1csc(c1)[*:1] C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H](C)[*:1]
C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H](C)c1cccs1 CS(=O)(=O)CC[*:1] C[C@@H](NC(=O)N[C@H](C)c1cccs1)[*:1]
C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H](C)c1cccs1 CS(=O)(=O)C[*:1] C[C@@H](C[*:1])NC(=O)N[C@H](C)c1cccs1
C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H](C)c1cccs1 CS(=O)(=O)[*:1] C[C@@H](CC[*:1])NC(=O)N[C@H](C)c1cccs1
C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 CS(=O)(=O)[*:1] C[C@H](C[*:1])C(=O)N[C@@H](C)c1ccc2CCCc2c1
C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 CS(=O)(=O)C[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])c1ccc2CCCc2c1
C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 C[C@H](CS(C)(=O)=O)[*:1] C[C@H](NC(=O)[*:1])c1ccc2CCCc2c1
COc1ccc(/C=C/C(=O)N[C@@H](C)c2nc(-c3cnccn3)no2)cc1 c1cnc(cn1)[*:1] COc1ccc(/C=C/C(=O)N[C@@H](C)c2nc(no2)[*:1])cc1
COc1ccc(/C=C/C(=O)N[C@@H](C)c2nc(-c3cnccn3)no2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)C=C[*:1])c1nc(no1)-c1cnccn1
CCOc1cccc([C@@H]([NH3+])CSC2CCCC2)c1 C1CCC(C1)S[*:1] CCOc1cccc(c1)[C@@H]([NH3+])C[*:1]
CCOc1cccc([C@@H]([NH3+])CSC2CCCC2)c1 C1CCC(C1)[*:1] CCOc1cccc(c1)[C@@H]([NH3+])CS[*:1]
CCOc1cccc([C@@H]([NH3+])CSC2CCCC2)c1 CCO[*:1] [NH3+][C@@H](CSC1CCCC1)c1cccc(c1)[*:1]
CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 CC(C)[*:1] O=C(c1ccc2OCOc2c1)N1CCC[C@@H](C1)n1cc[nH+]c1[*:1]
C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)[C@H](C)C1 NC(=O)[*:1] C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc3[nH]nc(c3c2)[*:1])[C@H](C)C1
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCC3(CCCCC3)CC2)c1 CCN(CC)S(=O)(=O)[*:1] COc1ccc(cc1C(=O)N1CCC2(CCCCC2)CC1)[*:1]
Cc1cc(C)n2nc(C)c(C(=O)O[C@@H](C)[C@@H]3CCCO3)c2n1 C1CO[C@@H](C1)[*:1] Cc1cc(C)n2nc(C)c(C(=O)O[C@@H](C)[*:1])c2n1
NC(=O)c1cc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)ccc1Cl FC(F)(F)[*:1] NC(=O)c1cc(ccc1Cl)NC(=O)[C@@H]1CCCN(C1)c1ncccc1[*:1]
NC(=O)c1cc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)ccc1Cl NC(=O)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])[C@@H]1CCCN(C1)c1ncccc1C(F)(F)F
Cc1cc(C)n([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)n1 Cc1cc(C)n(n1)[*:1] O=C(Cc1ccc2OCCc2c1)N1CCC[C@H](C1)[*:1]
COC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1 COC(=O)N[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)C(C)(C)[*:1]
COC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(C1)[*:1]
Cc1nc(-c2c[nH]c(=O)c(Cl)c2)n(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1nc(-c2c[nH]c(=O)c(Cl)c2)n(n1)[*:1]
C[C@H]1CN(C(=O)Nc2ccccc2SC(F)F)C[C@H](C)O1 FC(F)S[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccccc1[*:1]
C[C@H]1CN(C(=O)Nc2ccccc2SC(F)F)C[C@H](C)O1 FC(F)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccccc1S[*:1]
COC(=O)c1coc(CN2CCN(c3ccc(OC)cc3)C(=O)[C@H]2C)n1 COC(=O)[*:1] COc1ccc(cc1)N1CCN(Cc2nc(co2)[*:1])[C@H](C)C1=O
COC(=O)c1coc(CN2CCN(c3ccc(OC)cc3)C(=O)[C@H]2C)n1 COc1ccc(cc1)[*:1] COC(=O)c1coc(CN2CCN(C(=O)[C@H]2C)[*:1])n1
O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 C1CCC(C1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1cc[nH+]cc1
N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)C2 Fc1ccc(c(F)c1)[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)[C@H]1C[C@H]1[*:1]
Cc1cccc([C@H]([NH2+]C2CCCCC2)c2ccccn2)c1 Cc1cccc(c1)[*:1] c1ccc(nc1)[C@@H]([NH2+]C1CCCCC1)[*:1]
Cc1cccc([C@H]([NH2+]C2CCCCC2)c2ccccn2)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)[C@H]([NH2+][*:1])c1ccccn1
Cc1cccc([C@H]([NH2+]C2CCCCC2)c2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)[C@H]([NH2+]C1CCCCC1)[*:1]
CCC(CC)N(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O CCC(CC)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)N(C)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C(=O)c2ccccc2)n2ccccc2=O)C1 O=c1ccccn1[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](C(=O)c1ccccc1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C(=O)c2ccccc2)n2ccccc2=O)C1 CCOC(=O)[*:1] O=C(c1ccccc1)[C@H](C(=O)N1CCC[C@@H](C1)[*:1])n1ccccc1=O
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C(=O)c2ccccc2)n2ccccc2=O)C1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](C(=O)[*:1])n1ccccc1=O
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C(=O)c2ccccc2)n2ccccc2=O)C1 O=C(c1ccccc1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](n1ccccc1=O)[*:1]
CCn1nc(CC2CC2)nc1-c1ccccc1N(C)C C1CC1[*:1] CCn1nc(C[*:1])nc1-c1ccccc1N(C)C
CCn1nc(CC2CC2)nc1-c1ccccc1N(C)C C1CC1C[*:1] CCn1nc(nc1-c1ccccc1N(C)C)[*:1]
CCn1nc(CC2CC2)nc1-c1ccccc1N(C)C CN(C)[*:1] CCn1nc(CC2CC2)nc1-c1ccccc1[*:1]
COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccn1 COc1ccccc1[*:1] Cc1cc(ccc1[N+](=O)[O-])N[C@H](c1ccccn1)[*:1]
COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccn1 O=[N+]([O-])[*:1] COc1ccccc1[C@H](Nc1ccc(c(C)c1)[*:1])c1ccccn1
COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](Nc1ccc(c(C)c1)[N+](=O)[O-])[*:1]
Cc1ncsc1CN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O Cc1ncsc1[*:1] CN(C[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
Cc1ncsc1CN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ncsc1CN(C)[C@H]1CCCC[C@H]1[*:1]
O=C(Nc1ccnc2c(Cl)cccc12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccnc2c(Cl)cccc12)[*:1]
CO[C@H]1CCC[C@H](OC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 CC(C)[*:1] CO[C@H]1CCC[C@@H](C1)OC(=O)[C@H]1CCCN1C(=O)[*:1]
O=c1c2ccccc2nc(SCc2cccc(Br)c2)n1C[C@H]1CCCO1 Brc1cccc(c1)[*:1] O=c1c2ccccc2nc(SC[*:1])n1C[C@H]1CCCO1
O=c1c2ccccc2nc(SCc2cccc(Br)c2)n1C[C@H]1CCCO1 Brc1cccc(c1)C[*:1] O=c1c2ccccc2nc(S[*:1])n1C[C@H]1CCCO1
CC(C)Nc1cccc(CNC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 CC(C)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)NCc1cccc(c1)N[*:1]
CC(C)Nc1cccc(CNC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 CC(C)N[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)NCc1cccc(c1)[*:1]
COC(=O)C[C@H](NC(=O)C[C@H]1C=CCC1)c1cccs1 COC(=O)C[*:1] O=C(C[C@H]1C=CCC1)N[C@H](c1cccs1)[*:1]
COC(=O)C[C@H](NC(=O)C[C@H]1C=CCC1)c1cccs1 COC(=O)[*:1] O=C(C[C@H]1C=CCC1)N[C@@H](C[*:1])c1cccs1
COC(=O)C[C@H](NC(=O)C[C@H]1C=CCC1)c1cccs1 c1csc(c1)[*:1] COC(=O)C[C@H](NC(=O)C[C@H]1C=CCC1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 NC(=O)[*:1] Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CC1)[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 NC(=O)c1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CC1)[C@H](C)C(=O)N[*:1]
Cc1noc(C)c1S(=O)(=O)N1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 Cc1noc(C)c1[*:1] C[C@H](C(=O)Nc1ccc(cc1)C(N)=O)[NH+]1CCN(CC1)S(=O)(=O)[*:1]
CCC(CC)NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 CCC(CC)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
CCC(CC)NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] CCC(CC)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(=O)c1ccc(NC(=O)c2ccccc2N2CCCC2=O)cc1 O=C1CCCN1[*:1] CC(=O)c1ccc(cc1)NC(=O)c1ccccc1[*:1]
CC(=O)c1ccc(NC(=O)c2ccccc2N2CCCC2=O)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1N1CCCC1=O
C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2cc(Cl)ccn2)C1=O Clc1ccnc(c1)[*:1] C[C@H](c1ccccc1)[C@H]1CC(=O)N(C1=O)[*:1]
C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2cc(Cl)ccn2)C1=O c1ccc(cc1)[*:1] C[C@H]([C@H]1CC(=O)N(C1=O)c1cc(Cl)ccn1)[*:1]
Cc1ccc(C2(C(=O)NCc3nc4ccccc4n3C)CCOCC2)cc1 Cc1ccc(cc1)[*:1] Cn1c(CNC(=O)C2(CCOCC2)[*:1])nc2ccccc21
CC[C@H]1C(=O)NC(=O)C[C@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@H]1C(=O)NC(=O)C[C@H]1c1ccc(cc1)[*:1]
CNC(=O)c1ccc(/C=C/C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 COc1ccc(cc1)[*:1] CNC(=O)c1ccc(/C=C/C(=O)Nc2nc(c(C)s2)[*:1])cc1
CNC(=O)c1ccc(/C=C/C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 CNC(=O)[*:1] COc1ccc(cc1)-c1nc(NC(=O)/C=C/c2ccc(cc2)[*:1])sc1C
O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(COc1cc(nc2ccc(F)cc12)[*:1])Nc1ccc(F)cc1
O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COc1cc(nc2ccc(F)cc12)-c1ccccc1)N[*:1]
[NH3+]Cc1c[nH]nc1-c1ccc(SCC(F)(F)F)cc1 FC(F)(F)CS[*:1] [NH3+]Cc1c[nH]nc1-c1ccc(cc1)[*:1]
[NH3+]Cc1c[nH]nc1-c1ccc(SCC(F)(F)F)cc1 FC(F)(F)C[*:1] [NH3+]Cc1c[nH]nc1-c1ccc(cc1)S[*:1]
[NH3+]Cc1c[nH]nc1-c1ccc(SCC(F)(F)F)cc1 FC(F)(F)[*:1] [NH3+]Cc1c[nH]nc1-c1ccc(cc1)SC[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)c(Cl)n1 Cc1ccc(c(Cl)n1)[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)C(=O)N[*:1]
CC(C)(C(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)(C(=O)NNC(=O)[C@H]1COc2ccccc2O1)[*:1]
CN[C@]1(C#N)CCC[C@H]1CCOc1ccccc1 c1ccc(cc1)[*:1] CN[C@]1(C#N)CCC[C@H]1CCO[*:1]
CC(C)n1c(S[C@H]2CCN(C)C2=O)nc2ccccc2c1=O CC(C)[*:1] CN1CC[C@H](Sc2nc3ccccc3c(=O)n2[*:1])C1=O
COc1nc2ccn(C[C@H]3CCCO3)c(=O)c2cc1C#N C1CO[C@H](C1)[*:1] COc1nc2ccn(C[*:1])c(=O)c2cc1C#N
COc1nc2ccn(C[C@H]3CCCO3)c(=O)c2cc1C#N C1CO[C@H](C1)C[*:1] COc1nc2ccn(c(=O)c2cc1C#N)[*:1]
CCCCN(C)C(=O)Nc1ccc(Cl)cc1 CCC[*:1] CN(C[*:1])C(=O)Nc1ccc(Cl)cc1
CCCCN(C)C(=O)Nc1ccc(Cl)cc1 CCCC[*:1] CN(C(=O)Nc1ccc(Cl)cc1)[*:1]
Cc1csc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Cl)[*:1]
Cc1ccc(CC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1O c1cn(cn1)[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc(CC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1O Cc1ccc(cc1O)[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-n1ccnc1
Cc1ncc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)s1 Cc1ncc(s1)[*:1] C[C@H](N[C@H](C)[*:1])c1ccc(F)c(F)c1
CCCCCC(=O)NCc1cccs1 CCCC[*:1] O=C(C[*:1])NCc1cccs1
CCCCCC(=O)NCc1cccs1 CCC[*:1] O=C(CC[*:1])NCc1cccs1
COCC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] COC[*:1] O=C([O-])[C@H]1CCCCC[C@@H]1NC(=O)[*:1]
COCC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] COCC(=O)N[C@H]1CCCCC[C@H]1[*:1]
Cc1cccc(-n2nc(Br)c(C(=O)[O-])n2)c1 O=C([O-])[*:1] Cc1cccc(c1)-n1nc(Br)c(n1)[*:1]
Cc1sc(=O)n(CCC(=O)/N=c2\[nH]c3ccccc3n2C(C)(C)C)c1C Cc1sc(=O)n(c1C)[*:1] CC(C)(C)n1/c(=N/C(=O)CC[*:1])[nH]c2ccccc21
Cc1sc(=O)n(CCC(=O)/N=c2\[nH]c3ccccc3n2C(C)(C)C)c1C CC(C)(C)[*:1] Cc1sc(=O)n(CCC(=O)/N=c2\[nH]c3ccccc3n2[*:1])c1C
COc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] COc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1cnc([C@@H]2CCCO2)s1 COC(=O)[*:1] CC(C)C[C@@H](NC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] COC(=O)[C@@H](CC(C)C)NC(=O)c1cnc(s1)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1cnc([C@@H]2CCCO2)s1 CC(C)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)c1cnc(s1)[C@@H]1CCCO1
COC(=O)[C@@H](CC(C)C)NC(=O)c1cnc([C@@H]2CCCO2)s1 CC(C)C[*:1] COC(=O)[C@@H](NC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
COCCNCc1cnc([C@@H]2C[NH+]3CCN2CC3)nc1 COCCN[*:1] c1nc(ncc1C[*:1])[C@@H]1C[NH+]2CCN1CC2
COCCNCc1cnc([C@@H]2C[NH+]3CCN2CC3)nc1 COCCNC[*:1] c1nc(ncc1[*:1])[C@@H]1C[NH+]2CCN1CC2
COCCNCc1cnc([C@@H]2C[NH+]3CCN2CC3)nc1 COC[*:1] c1nc(ncc1CNC[*:1])[C@@H]1C[NH+]2CCN1CC2
COCCNCc1cnc([C@@H]2C[NH+]3CCN2CC3)nc1 COCC[*:1] c1nc(ncc1CN[*:1])[C@@H]1C[NH+]2CCN1CC2
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccco1 c1coc(c1)[*:1] C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[*:1]
CNC(=O)[C@H](NC(=O)Cn1cnc2c(C)cccc2c1=O)c1ccccc1 CNC(=O)[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N[C@H](c1ccccc1)[*:1]
CNC(=O)[C@H](NC(=O)Cn1cnc2c(C)cccc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@H](NC(=O)Cn1cnc2c(C)cccc2c1=O)[*:1]
O=C(Nc1cnn(CC(F)F)c1)N[C@H]1CCCN(c2cccc(F)c2)C1 FC(F)C[*:1] O=C(Nc1cnn(c1)[*:1])N[C@H]1CCCN(C1)c1cccc(F)c1
O=C(Nc1cnn(CC(F)F)c1)N[C@H]1CCCN(c2cccc(F)c2)C1 FC(F)[*:1] O=C(Nc1cnn(c1)C[*:1])N[C@H]1CCCN(C1)c1cccc(F)c1
O=C(Nc1cnn(CC(F)F)c1)N[C@H]1CCCN(c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(Nc1cnn(c1)CC(F)F)N[C@H]1CCCN(C1)[*:1]
CCCCNC(=O)C[NH+](C)Cc1ccccc1Cl CCC[*:1] C[NH+](CC(=O)NC[*:1])Cc1ccccc1Cl
CCCCNC(=O)C[NH+](C)Cc1ccccc1Cl CCCC[*:1] C[NH+](CC(=O)N[*:1])Cc1ccccc1Cl
C[C@@H](C[NH2+]Cc1ccco1)Sc1ccncc1 c1coc(c1)[*:1] C[C@@H](C[NH2+]C[*:1])Sc1ccncc1
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N(C)C[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N(C)[*:1]
Cc1cccc(-n2c(C)nc3cc(C(=O)NC[C@@H]4CCCO4)ccc32)c1 Cc1cccc(c1)[*:1] Cc1nc2cc(ccc2n1[*:1])C(=O)NC[C@@H]1CCCO1
CN(C)c1ccc(C(=O)NCCS(N)(=O)=O)cc1 NS(=O)(=O)C[*:1] CN(C)c1ccc(cc1)C(=O)NC[*:1]
CN(C)c1ccc(C(=O)NCCS(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CN(C)c1ccc(cc1)C(=O)NCC[*:1]
CN(C)c1ccc(C(=O)NCCS(N)(=O)=O)cc1 CN(C)[*:1] NS(=O)(=O)CCNC(=O)c1ccc(cc1)[*:1]
CN(C)c1ccc(C(=O)NCCS(N)(=O)=O)cc1 NS(=O)(=O)CC[*:1] CN(C)c1ccc(cc1)C(=O)N[*:1]
CCCCN(C)S(=O)(=O)c1csc(C(N)=O)c1 CCCC[*:1] CN(S(=O)(=O)c1csc(c1)C(N)=O)[*:1]
CCCCN(C)S(=O)(=O)c1csc(C(N)=O)c1 NC(=O)[*:1] CCCCN(C)S(=O)(=O)c1csc(c1)[*:1]
CCCCN(C)S(=O)(=O)c1csc(C(N)=O)c1 CCC[*:1] CN(C[*:1])S(=O)(=O)c1csc(c1)C(N)=O
Cn1ncnc1/N=C(\[O-])N(CCO)Cc1ccsc1 Cn1ncnc1[*:1] [O-]C(=N[*:1])N(CCO)Cc1ccsc1
Cn1ncnc1/N=C(\[O-])N(CCO)Cc1ccsc1 c1cc(cs1)[*:1] Cn1ncnc1/N=C(\[O-])N(CCO)C[*:1]
Cn1ncnc1/N=C(\[O-])N(CCO)Cc1ccsc1 OCC[*:1] Cn1ncnc1/N=C(\[O-])N(Cc1ccsc1)[*:1]
Cn1ncnc1/N=C(\[O-])N(CCO)Cc1ccsc1 c1cc(cs1)C[*:1] Cn1ncnc1/N=C(\[O-])N(CCO)[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)N(CC(F)(F)F)c1ccccn1)C2 c1ccc(nc1)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N(CC(F)(F)F)[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)N(CC(F)(F)F)c1ccccn1)C2 FC(F)(F)C[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N(c1ccccn1)[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)N(CC(F)(F)F)c1ccccn1)C2 FC(F)(F)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N(C[*:1])c1ccccn1
CCOc1ccc(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)cc1 CCO[*:1] COc1ccc(cc1)N1Cc2cccc(C(=O)Nc3ccc(cc3)[*:1])c2C1=O
CCOc1ccc(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)c1cccc2CN(C(=O)c21)[*:1]
CCOc1ccc(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1)N1Cc2cccc(C(=O)N[*:1])c2C1=O
CCCc1cc(NC(=O)CCc2cccs2)n(C)n1 c1csc(c1)[*:1] CCCc1cc(NC(=O)CC[*:1])n(C)n1
CCCc1cc(NC(=O)CCc2cccs2)n(C)n1 c1csc(c1)C[*:1] CCCc1cc(NC(=O)C[*:1])n(C)n1
CCCc1cc(NC(=O)CCc2cccs2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)CCc1cccs1)[*:1]
O=C(CCSCc1ccccn1)Nc1nnc(C(F)(F)F)s1 c1ccc(nc1)[*:1] O=C(CCSC[*:1])Nc1nnc(s1)C(F)(F)F
O=C(CCSCc1ccccn1)Nc1nnc(C(F)(F)F)s1 c1ccc(C[*:1])nc1 O=C(CCS[*:1])Nc1nnc(s1)C(F)(F)F
O=C(CCSCc1ccccn1)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] O=C(CCSCc1ccccn1)Nc1nnc(s1)[*:1]
CC(C)NC(=O)[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1c1ccnc(N2CCOCC2)n1 CC(C)NC(=O)[*:1] O=C(c1ccccn1)N1C[C@H](c2ccnc(n2)N2CCOCC2)[C@H](C1)[*:1]
CC(C)NC(=O)[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1c1ccnc(N2CCOCC2)n1 CC(C)[*:1] O=C(N[*:1])[C@H]1CN(C[C@@H]1c1ccnc(n1)N1CCOCC1)C(=O)c1ccccn1
CC(C)NC(=O)[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1c1ccnc(N2CCOCC2)n1 C1CN(CCO1)[*:1] CC(C)NC(=O)[C@H]1CN(C[C@@H]1c1ccnc(n1)[*:1])C(=O)c1ccccn1
CC(C)NC(=O)[C@H]1CN(C(=O)c2ccccn2)C[C@@H]1c1ccnc(N2CCOCC2)n1 c1ccc(nc1)[*:1] CC(C)NC(=O)[C@H]1CN(C[C@@H]1c1ccnc(n1)N1CCOCC1)C(=O)[*:1]
CCCCNC(=O)[C@H](C)n1ccc(N)n1 CCC[*:1] C[C@@H](C(=O)NC[*:1])n1ccc(N)n1
CCCCNC(=O)[C@H](C)n1ccc(N)n1 CCCC[*:1] C[C@@H](C(=O)N[*:1])n1ccc(N)n1
CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCC(C)CC2)s1 CC1CCN(CC1)[*:1] CCCS(=O)(=O)c1nc(c(s1)[*:1])S(=O)(=O)c1ccc(C)cc1
CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCC(C)CC2)s1 Cc1ccc(cc1)[*:1] CCCS(=O)(=O)c1nc(c(s1)N1CCC(C)CC1)S(=O)(=O)[*:1]
CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCC(C)CC2)s1 CCC[*:1] Cc1ccc(cc1)S(=O)(=O)c1nc(sc1N1CCC(C)CC1)S(=O)(=O)[*:1]
CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCC(C)CC2)s1 CCCS(=O)(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)c1nc(sc1N1CCC(C)CC1)[*:1]
CS(=O)(=O)N1CCN(C(=O)COc2ccc(OCc3ccccc3)cc2)CC1 c1ccc(cc1)CO[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)COc1ccc(cc1)[*:1]
CS(=O)(=O)N1CCN(C(=O)COc2ccc(OCc3ccccc3)cc2)CC1 c1ccc(cc1)C[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)COc1ccc(cc1)O[*:1]
CS(=O)(=O)N1CCN(C(=O)COc2ccc(OCc3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)COc1ccc(cc1)OC[*:1]
CCc1nn(C)cc1C(=O)N(CC)[C@@H](CC)Cc1ccccc1 c1ccc(cc1)C[*:1] CCc1nn(C)cc1C(=O)N(CC)[C@@H](CC)[*:1]
CCc1nn(C)cc1C(=O)N(CC)[C@@H](CC)Cc1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)N(CC)[C@@H](CC)C[*:1]
Cc1ccc(OCc2csc(CC(=O)Nc3ccccc3)n2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cc1ccc(OCc2csc(CC(=O)N[*:1])n2)c(c1)[N+](=O)[O-]
Cc1ccc(OCc2csc(CC(=O)Nc3ccccc3)n2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OCc2csc(CC(=O)Nc3ccccc3)n2)c(c1)[*:1]
Cc1ccc(OCc2csc(CC(=O)Nc3ccccc3)n2)c([N+](=O)[O-])c1 O=C(Nc1ccccc1)[*:1] Cc1ccc(OCc2csc(C[*:1])n2)c(c1)[N+](=O)[O-]
CCN(CCO)C(=O)C1(CC)CCCC1 OCC[*:1] CCN(C(=O)C1(CC)CCCC1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C c1csc(c1)[*:1] Cc1cccc(c1NC(=O)C(=O)NC[C@@H]([NH+](C)C)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C CC(C)[*:1] Cc1cccc(c1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[*:1]
CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 Fc1ccc(cc1)[*:1] CCCc1nnc2S[C@H](C(=O)Nc3ccc(cc3)OC)[C@H](Nn12)[*:1]
CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 CCC[*:1] COc1ccc(cc1)NC(=O)[C@H]1Sc2nnc(n2N[C@H]1c1ccc(F)cc1)[*:1]
CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 COc1ccc(cc1)[*:1] CCCc1nnc2S[C@H](C(=O)N[*:1])[C@@H](Nn12)c1ccc(F)cc1
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2ccco2)C1=O O=C(NCc1ccco1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc2ccccc2c1
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2ccco2)C1=O c1coc(c1)C[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2ccccc2c1
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2ccco2)C1=O c1coc(c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1ccc2ccccc2c1
CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)c(c1)[*:1]
CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 CC[C@H](CO)[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)C(=O)N[*:1]
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(F)ccc3F)c2)cc1 Cc1ccc(cc1)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)Nc1cc(F)ccc1F)[*:1]
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(F)ccc3F)c2)cc1 Fc1ccc(F)c(c1)[*:1] Cc1ccc(cc1)N(C)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
Cc1nn(-c2cccc(C(=O)NCC3CC[NH+](C(C)C)CC3)c2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] CC(C)[NH+]1CCC(CC1)CNC(=O)c1cccc(c1)[*:1]
Cc1nn(-c2cccc(C(=O)NCC3CC[NH+](C(C)C)CC3)c2)c(C)c1Cl CC(C)[*:1] Cc1nn(-c2cccc(c2)C(=O)NCC2CC[NH+](CC2)[*:1])c(C)c1Cl
O=C([O-])[C@@H]1[C@H]2C[C@H](c3ccccc3)[C@H](O2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C([O-])[C@@H]1[C@H]2C[C@H](c3ccccc3)[C@H](O2)[C@H]1[*:1]
O=C([O-])[C@@H]1[C@H]2C[C@H](c3ccccc3)[C@H](O2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C([O-])[C@H]1[C@H]2O[C@H](C[C@@H]2c2ccccc2)[C@H]1[*:1]
O=C([O-])[C@@H]1[C@H]2C[C@H](c3ccccc3)[C@H](O2)[C@@H]1C(=O)[O-] c1ccc(cc1)[*:1] O=C([O-])[C@@H]1[C@H]2C[C@H]([C@H](O2)[C@@H]1C(=O)[O-])[*:1]
COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])CNn1c(C)n[nH]c1=S
COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])CNn1c(C)n[nH]c1=S
COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])CNn1c(C)n[nH]c1=S
CS(=O)(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 CS(=O)(=O)N[*:1] c1ccc2c(c1)OC1(CCC1)C[C@H]2[*:1]
C[C@@H](CNC(=O)C(=O)NC1CC1)c1nc(-c2ccccc2)no1 C1CC1[*:1] C[C@@H](CNC(=O)C(=O)N[*:1])c1nc(no1)-c1ccccc1
C[C@@H](CNC(=O)C(=O)NC1CC1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)C(=O)NC1CC1)c1nc(no1)[*:1]
C[C@H]1C[C@@H]1C(=O)c1ccc(Cl)cc1F C[C@H]1C[C@H]1[*:1] O=C(c1ccc(Cl)cc1F)[*:1]
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[*:1]
Cc1nsc(N2CCN(Cc3occc3C)CC2)n1 Cc1nsc(n1)[*:1] Cc1ccoc1CN1CCN(CC1)[*:1]
Cc1nsc(N2CCN(Cc3occc3C)CC2)n1 Cc1ccoc1[*:1] Cc1nsc(n1)N1CCN(CC1)C[*:1]
CO[C@@H]1CCCN(Cc2cnc(-c3cccs3)s2)C1 c1csc(c1)[*:1] CO[C@@H]1CCCN(Cc2cnc(s2)[*:1])C1
Cc1cc([C@@H](O)[C@]2(C[NH3+])CCc3ccccc3C2)c(C)s1 Cc1cc(c(C)s1)[*:1] [NH3+]C[C@]1(CCc2ccccc2C1)[C@H](O)[*:1]
C=C(Br)COc1cc(F)ccc1[N+](=O)[O-] C=C(Br)C[*:1] O=[N+]([O-])c1ccc(F)cc1O[*:1]
C=C(Br)COc1cc(F)ccc1[N+](=O)[O-] C=C(Br)CO[*:1] O=[N+]([O-])c1ccc(F)cc1[*:1]
C=C(Br)COc1cc(F)ccc1[N+](=O)[O-] C=C(Br)[*:1] O=[N+]([O-])c1ccc(F)cc1OC[*:1]
C=C(Br)COc1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C=C(Br)COc1cc(F)ccc1[*:1]
Cc1cccc(OC[C@H](O)Cn2nc(-c3ccco3)oc2=O)c1 Cc1cccc(c1)[*:1] O=c1oc(nn1C[C@@H](O)CO[*:1])-c1ccco1
Cc1cccc(OC[C@H](O)Cn2nc(-c3ccco3)oc2=O)c1 c1coc(c1)[*:1] Cc1cccc(c1)OC[C@H](O)Cn1nc(oc1=O)[*:1]
CC[C@@H](Nc1cccc(F)c1C#N)c1nccs1 c1csc(n1)[*:1] CC[C@@H](Nc1cccc(F)c1C#N)[*:1]
CC[C@H](NC(=O)N(C)[C@@H]1C[C@@](C)(OC)C1(C)C)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)N(C)[C@@H]1C[C@@](C)(OC)C1(C)C)[*:1]
COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2cccs2)CC1 O=C(/C=C/c1cccs1)N[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1oc2ccccc2c1[*:1]
COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2cccs2)CC1 c1csc(c1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1oc2ccccc2c1NC(=O)C=C[*:1]
COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2cccs2)CC1 COc1ccccc1[*:1] O=C(/C=C/c1cccs1)Nc1c(oc2ccccc12)C(=O)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2cccs2)CC1 C(=C[*:1])c1cccs1 COc1ccccc1N1CCN(CC1)C(=O)c1oc2ccccc2c1NC(=O)[*:1]
COC(=O)c1sccc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 COC(=O)[*:1] Cc1cc(cc(c1C)S(=O)(=O)N(C)C)C(=O)Nc1ccsc1[*:1]
COC(=O)c1sccc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] COC(=O)c1sccc1NC(=O)c1cc(C)c(C)c(c1)[*:1]
O=C(c1cnccn1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 Fc1ccc(cc1)O[*:1] O=C(c1cnccn1)N1CCc2nc(nc(c2C1)[*:1])N1CCCC1
O=C(c1cnccn1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 c1cnc(cn1)[*:1] O=C(N1CCc2nc(nc(Oc3ccc(F)cc3)c2C1)N1CCCC1)[*:1]
O=C(c1cnccn1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 C1CCN(C1)[*:1] O=C(c1cnccn1)N1CCc2nc(nc(Oc3ccc(F)cc3)c2C1)[*:1]
O=C(c1cnccn1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 Fc1ccc(cc1)[*:1] O=C(c1cnccn1)N1CCc2nc(nc(O[*:1])c2C1)N1CCCC1
CCOc1ccccc1OCCN(C)C(=O)c1cnccc1C CCO[*:1] Cc1ccncc1C(=O)N(C)CCOc1ccccc1[*:1]
CCOc1ccccc1OCCN(C)C(=O)c1cnccc1C Cc1ccncc1[*:1] CCOc1ccccc1OCCN(C)C(=O)[*:1]
COC(=O)C1(NC(=O)Cc2ccc(OC)cc2)CCCCC1 COC(=O)[*:1] COc1ccc(cc1)CC(=O)NC1(CCCCC1)[*:1]
C[C@@H](Cc1ccccc1)NC(=O)[C@H](C)N1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O C[C@@H](Cc1ccccc1)[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O
C[C@@H](Cc1ccccc1)NC(=O)[C@H](C)N1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O c1ccc(cc1)C[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])N1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O
C[C@@H](Cc1ccccc1)NC(=O)[C@H](C)N1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O c1ccc(cc1)[*:1] C[C@@H](C[*:1])NC(=O)[C@H](C)N1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(O)cc2)C2=C(CC(C)(C)CC2=O)N1 Cc1ccccc1[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)N[*:1])c1ccc(O)cc1
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(O)cc2)C2=C(CC(C)(C)CC2=O)N1 Cc1ccccc1NC(=O)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1[*:1])c1ccc(O)cc1
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(O)cc2)C2=C(CC(C)(C)CC2=O)N1 Oc1ccc(cc1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)Nc1ccccc1C)[*:1]
Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)Nc2ccc3c(c2)OCCO3)c1 c1cc2OCCOc2cc1[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)N[*:1]
Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)Nc2ccc3c(c2)OCCO3)c1 Cc1cccc(c1)[*:1] O=C(C[C@H]1CSc2nc3c(cnn3[*:1])c(=O)n21)Nc1ccc2OCCOc2c1
CCOC(=O)CC[C@H](C)NC(=O)N(C)C1CCC1 C1CC(C1)[*:1] CCOC(=O)CC[C@H](C)NC(=O)N(C)[*:1]
CCOC(=O)CC[C@H](C)NC(=O)N(C)C1CCC1 CCOC(=O)[*:1] C[C@@H](CC[*:1])NC(=O)N(C)C1CCC1
CCOC(=O)CC[C@H](C)NC(=O)N(C)C1CCC1 CCOC(=O)C[*:1] C[C@@H](C[*:1])NC(=O)N(C)C1CCC1
C[C@@H]1CCc2c(sc3ncn4c(SCc5ccc6c(c5)OCO6)nnc4c23)C1 c1cc2OCOc2cc1[*:1] C[C@@H]1CCc2c(C1)sc1ncn3c(nnc3c21)SC[*:1]
CC[C@@H](C)C(=O)Nc1cccc(CNc2nccn(CC)c2=O)c1 CC[C@@H](C)C(=O)N[*:1] CCn1ccnc(NCc2cccc(c2)[*:1])c1=O
CC[C@@H](C)C(=O)Nc1cccc(CNc2nccn(CC)c2=O)c1 CC[C@@H](C)[*:1] CCn1ccnc(NCc2cccc(c2)NC(=O)[*:1])c1=O
Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n[nH]2)c(O)c1C Cc1ccc(c(O)c1C)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1cc([nH]n1)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n[nH]2)c(O)c1C O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(-c2cc(n[nH]2)C(=O)Nc2ccc(cc2)[*:1])c(O)c1C
CC[C@@H](CC[NH3+])CNC(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@@H](CC[NH3+])CNC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CO)cc1OC CCO[*:1] COc1cc(ccc1[*:1])NC(=O)N[C@@H]1CCCC[C@H]1CO
CN1CC[NH+]([C@H]2CCN(c3ncc(F)c(N(C)C)n3)C[C@H]2CCC(=O)[O-])CC1 O=C([O-])C[*:1] CN1CC[NH+](CC1)[C@H]1CCN(C[C@H]1C[*:1])c1ncc(F)c(n1)N(C)C
CN1CC[NH+]([C@H]2CCN(c3ncc(F)c(N(C)C)n3)C[C@H]2CCC(=O)[O-])CC1 O=C([O-])[*:1] CN1CC[NH+](CC1)[C@H]1CCN(C[C@H]1CC[*:1])c1ncc(F)c(n1)N(C)C
CN1CC[NH+]([C@H]2CCN(c3ncc(F)c(N(C)C)n3)C[C@H]2CCC(=O)[O-])CC1 O=C([O-])CC[*:1] CN1CC[NH+](CC1)[C@H]1CCN(C[C@@H]1[*:1])c1ncc(F)c(n1)N(C)C
CN1CC[NH+]([C@H]2CCN(c3ncc(F)c(N(C)C)n3)C[C@H]2CCC(=O)[O-])CC1 CN(C)[*:1] CN1CC[NH+](CC1)[C@H]1CCN(C[C@H]1CCC(=O)[O-])c1ncc(F)c(n1)[*:1]
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1nncs1 c1nnc(s1)[*:1] CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)N[*:1]
Cn1ncc(Cl)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] Cn1ncc(Cl)c1C(=O)N1CCN(CC1)[*:1]
Cn1ncc(Cl)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 Cn1ncc(Cl)c1[*:1] O=C(N1CCN(CC1)c1cccc(Cl)c1)[*:1]
Cc1cccc([C@H](C)NC(=O)N[C@H](CO)C(C)C)c1C CC(C)[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)N[C@H](CO)[*:1]
Cc1cccc([C@H](C)NC(=O)N[C@H](CO)C(C)C)c1C CC(C)[C@@H](CO)[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)N[*:1]
Cc1ccc([C@@](O)(CC(=O)NCc2c(C)n[nH]c2C)C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)NCc1c(C)n[nH]c1C)[*:1]
Cc1ccc([C@@](O)(CC(=O)NCc2c(C)n[nH]c2C)C(F)(F)F)o1 Cc1n[nH]c(C)c1[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)NC[*:1])C(F)(F)F
Cc1ccc([C@@](O)(CC(=O)NCc2c(C)n[nH]c2C)C(F)(F)F)o1 Cc1ccc(o1)[*:1] Cc1n[nH]c(C)c1CNC(=O)C[C@](O)(C(F)(F)F)[*:1]
Cc1ccc([C@@](O)(CC(=O)NCc2c(C)n[nH]c2C)C(F)(F)F)o1 Cc1n[nH]c(C)c1C[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)N[*:1])C(F)(F)F
CCOC(=O)C1CCN(C(=O)CNC(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 CCOC(=O)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)NCC(=O)N1CCC(CC1)[*:1]
C/C(=N/NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc(F)cc1 Brc1cccc(c1)[*:1] C/C(=N/NC(=O)CN(S(C)(=O)=O)[*:1])c1ccc(F)cc1
C/C(=N/NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=NNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)[*:1]
O=C(NNC(=S)NCCc1cccs1)c1ccc(Cl)nc1 c1csc(c1)[*:1] O=C(NNC(=S)NCC[*:1])c1ccc(Cl)nc1
O=C(NNC(=S)NCCc1cccs1)c1ccc(Cl)nc1 c1csc(c1)CC[*:1] O=C(NNC(=S)N[*:1])c1ccc(Cl)nc1
O=C(NNC(=S)NCCc1cccs1)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(NNC(=S)NCCc1cccs1)[*:1]
O=C(NNC(=S)NCCc1cccs1)c1ccc(Cl)nc1 c1csc(c1)C[*:1] O=C(NNC(=S)NC[*:1])c1ccc(Cl)nc1
Cc1cc(N)cc(C)c1NC(=O)CS(C)(=O)=O CS(=O)(=O)[*:1] Cc1cc(N)cc(C)c1NC(=O)C[*:1]
Cc1cc(N)cc(C)c1NC(=O)CS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1cc(N)cc(C)c1NC(=O)[*:1]
O=C([O-])[C@]1(C2CCCC2)CCOc2ccccc21 O=C([O-])[*:1] c1ccc2c(c1)OCC[C@]2(C1CCCC1)[*:1]
O=C([O-])[C@]1(C2CCCC2)CCOc2ccccc21 C1CCC(C1)[*:1] O=C([O-])[C@@]1(CCOc2ccccc21)[*:1]
CC[C@H](NC(=O)N[C@H]1CCCC[C@@H]1OC)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)N[C@H]1CCCC[C@@H]1OC)[*:1]
CC(C)NC(=O)CN1C[C@@H](C)Sc2ccccc21 CC(C)[*:1] C[C@@H]1CN(CC(=O)N[*:1])c2ccccc2S1
CC(C)NC(=O)CN1C[C@@H](C)Sc2ccccc21 CC(C)NC(=O)[*:1] C[C@@H]1CN(C[*:1])c2ccccc2S1
O=C(Nc1nnc(Cc2ccc3c(c2)OCCO3)o1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Nc1nnc(Cc2ccc3OCCOc3c2)o1)c1cccc(c1)[*:1]
CCN(C)c1ccccc1NC(=O)Cc1cc(F)ccc1F CCN(C)[*:1] O=C(Cc1cc(F)ccc1F)Nc1ccccc1[*:1]
Cc1ccccc1[C@H](NS(C)(=O)=O)C(C)C CC(C)[*:1] Cc1ccccc1[C@H](NS(C)(=O)=O)[*:1]
Cc1ccccc1[C@H](NS(C)(=O)=O)C(C)C CS(=O)(=O)N[*:1] Cc1ccccc1[C@H](C(C)C)[*:1]
CN1C(=O)CO[C@H](c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)[C@H]1CO Fc1cc(F)cc(c1)[*:1] CN1C(=O)CO[C@H](c2ccc(cc2)NC(=O)[*:1])[C@H]1CO
O=C(COc1ccc(C(F)(F)F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 FC(F)(F)[*:1] O=C(COc1ccc(cc1)[*:1])NC1CC[NH+](CC1)Cc1ccccc1
O=C(COc1ccc(C(F)(F)F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)C(F)(F)F)NC1CC[NH+](CC1)C[*:1]
O=C(COc1ccc(C(F)(F)F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(COc1ccc(cc1)C(F)(F)F)NC1CC[NH+](CC1)[*:1]
Cc1cccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 O=C1CCCN1[*:1] Cc1cccc(c1)C(=O)NCC(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1cccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 Cc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])Nc1ccc(c(Cl)c1)N1CCCC1=O
O=C1C[C@@H](c2ccccc2)[C@@H](c2ccc(Cl)cc2)C(=O)N1 c1ccc(cc1)[*:1] O=C1C[C@@H]([C@H](C(=O)N1)c1ccc(Cl)cc1)[*:1]
O=C1C[C@@H](c2ccccc2)[C@@H](c2ccc(Cl)cc2)C(=O)N1 Clc1ccc(cc1)[*:1] O=C1C[C@@H](c2ccccc2)[C@@H](C(=O)N1)[*:1]
O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H]1c1ccccn1 c1ccc(cc1)[*:1] O=C(c1csc(C[*:1])n1)N1CCC[C@H]1c1ccccn1
O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H]1c1ccccn1 c1ccc(nc1)[*:1] O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]1[*:1]
O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H]1c1ccccn1 c1ccc(cc1)C[*:1] O=C(c1csc(n1)[*:1])N1CCC[C@H]1c1ccccn1
CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCN(C(=O)NCc4cccs4)C3)sc2c1 c1csc(c1)C[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCN(C3)C(=O)N[*:1])sc2c1
CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCN(C(=O)NCc4cccs4)C3)sc2c1 CS(=O)(=O)[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])[C@H]1CCCN(C1)C(=O)NCc1cccs1
CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCN(C(=O)NCc4cccs4)C3)sc2c1 c1csc(c1)[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCCN(C3)C(=O)NC[*:1])sc2c1
C[C@@H](O/N=C/c1ccccc1F)C(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@@H](O/N=C/c1ccccc1F)C(=O)NC[*:1]
C[C@@H](O/N=C/c1ccccc1F)C(=O)NCCc1ccc(F)cc1 Fc1ccccc1[*:1] C[C@@H](ON=C[*:1])C(=O)NCCc1ccc(F)cc1
C[C@@H](O/N=C/c1ccccc1F)C(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](O/N=C/c1ccccc1F)C(=O)NCC[*:1]
O=C(Cn1nnc(-c2cccs2)n1)NCC1CCC1 c1csc(c1)[*:1] O=C(Cn1nnc(n1)[*:1])NCC1CCC1
O=C(Cn1nnc(-c2cccs2)n1)NCC1CCC1 C1CC(C1)[*:1] O=C(Cn1nnc(n1)-c1cccs1)NC[*:1]
O=C(Cn1nnc(-c2cccs2)n1)NCC1CCC1 C1CC(C1)C[*:1] O=C(Cn1nnc(n1)-c1cccs1)N[*:1]
Cc1cccc2c(=O)n(CCC(=O)OC[C@@H]3CC(=O)N(C4CC4)C3)cnc12 C1CC1[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)OC[C@@H]1CC(=O)N(C1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCCN(c2ccc(Cl)c(C#N)n2)CC1 Cc1noc(C)c1[*:1] N#Cc1nc(ccc1Cl)N1CCCN(CC1)S(=O)(=O)[*:1]
CC(C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 c1coc(c1)C[*:1] CC(C)Sc1nnc(CCC(N)=O)n1[*:1]
CC(C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 NC(=O)C[*:1] CC(C)Sc1nnc(C[*:1])n1Cc1ccco1
CC(C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 CC(C)S[*:1] NC(=O)CCc1nnc(n1Cc1ccco1)[*:1]
CC(C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 c1coc(c1)[*:1] CC(C)Sc1nnc(CCC(N)=O)n1C[*:1]
CC(C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 NC(=O)CC[*:1] CC(C)Sc1nnc(n1Cc1ccco1)[*:1]
CC(C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 CC(C)[*:1] NC(=O)CCc1nnc(S[*:1])n1Cc1ccco1
CC(C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 NC(=O)[*:1] CC(C)Sc1nnc(CC[*:1])n1Cc1ccco1
CC1(C)CC(=O)C2=C(C1)OC(=O)[C@@]2(NC(=O)c1ccc(F)cc1)C(F)(F)F FC(F)(F)[*:1] CC1(C)CC(=O)C2=C(C1)OC(=O)[C@]2(NC(=O)c1ccc(F)cc1)[*:1]
CC1(C)CC(=O)C2=C(C1)OC(=O)[C@@]2(NC(=O)c1ccc(F)cc1)C(F)(F)F Fc1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)OC(=O)[C@@]2(NC(=O)[*:1])C(F)(F)F
COCC[C@@H](C)NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 COCC[C@@H](C)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[*:1]
COCC[C@@H](C)NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] COCC[C@@H](C)NC(=O)Nc1ccc(C)c(c1)[*:1]
COCC[C@@H](C)NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 COCC[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[C@H](C)[*:1]
COCC[C@@H](C)NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 COC[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[C@H](C)C[*:1]
Cc1ccc([C@@H](C)N2CCO[C@H](CC(=O)[O-])C2)o1 O=C([O-])C[*:1] Cc1ccc(o1)[C@@H](C)N1CCO[C@H](C1)[*:1]
Cc1ccc([C@@H](C)N2CCO[C@H](CC(=O)[O-])C2)o1 O=C([O-])[*:1] Cc1ccc(o1)[C@@H](C)N1CCO[C@@H](C1)C[*:1]
Cc1ccc([C@@H](C)N2CCO[C@H](CC(=O)[O-])C2)o1 Cc1ccc(o1)[*:1] C[C@@H](N1CCO[C@H](CC(=O)[O-])C1)[*:1]
CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)NCc1cccs1 CC(C)C(=O)N[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)NCc1cccs1
CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)NCc1cccs1 CC(C)[*:1] O=C(Cn1c(CNC(=O)[*:1])nc2ccccc21)NCc1cccs1
CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)NCc1cccs1 c1csc(c1)C[*:1] CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)N[*:1]
CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)NCc1cccs1 CC(C)C(=O)NC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])NCc1cccs1
CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)NCc1cccs1 c1csc(c1)[*:1] CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)NC[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)C1 CC(C)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)[C@H](C[*:1])N1CCCCC1=O
CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)C1 CC(C)C[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)[C@H](N1CCCCC1=O)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)C1 CCCNC(=O)[*:1] CC(C)C[C@@H](C(=O)N1CCC[C@H](C1)[*:1])N1CCCCC1=O
CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)C1 O=C1CCCCN1[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)[C@H](CC(C)C)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)C1 CCC[*:1] CC(C)C[C@@H](C(=O)N1CCC[C@H](C1)C(=O)N[*:1])N1CCCCC1=O
O=C(CN1CCN(Cc2cscn2)CC1)N1CCCc2ccccc21 c1nc(cs1)C[*:1] O=C(CN1CCN(CC1)[*:1])N1CCCc2ccccc21
O=C(CN1CCN(Cc2cscn2)CC1)N1CCCc2ccccc21 c1nc(cs1)[*:1] O=C(CN1CCN(CC1)C[*:1])N1CCCc2ccccc21
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)[*:1]
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 O=C([O-])[*:1] O=S(=O)([N-]c1ccc(F)cc1[*:1])c1ccc(Cl)s1
COc1ccc(CN(C)C(=O)CCc2nc3ncccc3[nH]2)cc1 COc1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCc1nc2ncccc2[nH]1
CO[C@H](C)[C@H]([NH3+])Cc1c(Cl)c(C)nn1C CO[C@H](C)[*:1] Cc1nn(C)c(C[C@@H]([NH3+])[*:1])c1Cl
C[C@@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1ccc(Cl)s1 c1cc(cs1)C[*:1] C[C@@H](NC(=O)N(C)[C@H](C)[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)N[C@H](C)[*:1]
C[C@@H](NC(=O)N(C)[C@H](C)Cc1ccsc1)c1ccc(Cl)s1 c1cc(cs1)[*:1] C[C@@H](NC(=O)N(C)[C@H](C)C[*:1])c1ccc(Cl)s1
Cc1nnc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)s1 Cc1nnc(s1)[*:1] O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)N[*:1]
CCc1ccc([C@H](CO)NC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 CCc1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N[C@@H](CO)[*:1]
CCOc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1F CCO[*:1] O=C(Nc1ccc(c(F)c1)[*:1])N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc2cc[nH]c12 COC(=O)[*:1] O=C(N[C@H]1CCCC[C@@H]1[*:1])c1cccc2cc[nH]c12
COCC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COCC(=O)Nc1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
COCC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 C[C@@H](c1ccccc1)[*:1] COCC(=O)Nc1ccc(cc1)NC(=O)N[*:1]
COCC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 COCC(=O)N[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccccc1
COCC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 COC[*:1] C[C@H](NC(=O)Nc1ccc(cc1)NC(=O)[*:1])c1ccccc1
C[C@@H](CCc1ccco1)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 c1coc(c1)CC[*:1] C[C@@H]([NH2+]C1CCN(CC1)S(=O)(=O)N1CCOCC1)[*:1]
C[C@@H](CCc1ccco1)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 c1coc(c1)C[*:1] C[C@@H](C[*:1])[NH2+]C1CCN(CC1)S(=O)(=O)N1CCOCC1
C[C@@H](CCc1ccco1)[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 c1coc(c1)[*:1] C[C@@H](CC[*:1])[NH2+]C1CCN(CC1)S(=O)(=O)N1CCOCC1
Cc1nnsc1C(=O)Nc1[nH]ncc1/C(N)=N/O Cc1nnsc1[*:1] N/C(=N\O)c1cn[nH]c1NC(=O)[*:1]
Cc1nnsc1C(=O)Nc1[nH]ncc1/C(N)=N/O N/C(=N\O)[*:1] Cc1nnsc1C(=O)Nc1[nH]ncc1[*:1]
Cc1cccc(C(=O)N2CCc3cc(CNC(=O)CC(C)C)ccc32)c1 Cc1cccc(c1)[*:1] CC(C)CC(=O)NCc1ccc2c(c1)CCN2C(=O)[*:1]
Cc1cccc(C(=O)N2CCc3cc(CNC(=O)CC(C)C)ccc32)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N1CCc2cc(ccc21)CNC(=O)C[*:1]
Cc1cccc(C(=O)N2CCc3cc(CNC(=O)CC(C)C)ccc32)c1 CC(C)C[*:1] Cc1cccc(c1)C(=O)N1CCc2cc(ccc21)CNC(=O)[*:1]
Cc1cccc(C(=O)N2CCc3cc(CNC(=O)CC(C)C)ccc32)c1 CC(C)CC(=O)N[*:1] Cc1cccc(c1)C(=O)N1CCc2cc(ccc21)C[*:1]
Cc1cccc(C(=O)N2CCc3cc(CNC(=O)CC(C)C)ccc32)c1 CC(C)CC(=O)NC[*:1] Cc1cccc(c1)C(=O)N1CCc2cc(ccc21)[*:1]
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2c(C)nn(CC)c2C)C1 CCCCNC(=O)[*:1] CCn1nc(C)c(NC(=O)N2C[C@@H](CC[C@@H]2C)[*:1])c1C
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2c(C)nn(CC)c2C)C1 CCC[*:1] CCn1nc(C)c(NC(=O)N2C[C@@H](CC[C@@H]2C)C(=O)NC[*:1])c1C
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2c(C)nn(CC)c2C)C1 CCCC[*:1] CCn1nc(C)c(NC(=O)N2C[C@@H](CC[C@@H]2C)C(=O)N[*:1])c1C
N#CCOc1ccc(/C=C/C(=O)Nc2cccc3cn[nH]c23)cc1 N#CC[*:1] O=C(/C=C/c1ccc(cc1)O[*:1])Nc1cccc2cn[nH]c12
N#CCOc1ccc(/C=C/C(=O)Nc2cccc3cn[nH]c23)cc1 N#CCO[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1cccc2cn[nH]c12
CNC(=S)N(Cc1cccnc1)Cc1ccco1 c1coc(c1)[*:1] CNC(=S)N(Cc1cccnc1)C[*:1]
CNC(=S)N(Cc1cccnc1)Cc1ccco1 c1coc(c1)C[*:1] CNC(=S)N(Cc1cccnc1)[*:1]
CNC(=S)N(Cc1cccnc1)Cc1ccco1 c1cncc(c1)[*:1] CNC(=S)N(Cc1ccco1)C[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](OCC2CC[NH2+]CC2)C1 CS(=O)(=O)[*:1] C1C[C@@H](C[C@@H](C1)OCC1CC[NH2+]CC1)[*:1]
O=c1[nH]c(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Cl)c2)nc2ccccc12 Clc1cccc(c1)[*:1] O=c1[nH]c(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2[*:1])nc2ccccc12
CC(C)[C@H](C)N(C)C(=O)CC[C@@H](C)O C[C@@H](O)[*:1] CC(C)[C@H](C)N(C)C(=O)CC[*:1]
CC(C)[C@H](C)N(C)C(=O)CC[C@@H](C)O C[C@@H](O)C[*:1] CC(C)[C@H](C)N(C)C(=O)C[*:1]
CC(C)[C@H](C)N(C)C(=O)CC[C@@H](C)O CC(C)[*:1] C[C@H](N(C)C(=O)CC[C@@H](C)O)[*:1]
O=C(/C=C/c1cccs1)Nc1ccc(CC(=O)NCc2cccs2)cc1 c1csc(c1)C[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)CC(=O)N[*:1]
O=C(/C=C/c1cccs1)Nc1ccc(CC(=O)NCc2cccs2)cc1 C(=C[*:1])c1cccs1 O=C(Cc1ccc(cc1)NC(=O)[*:1])NCc1cccs1
O=C(/C=C/c1cccs1)Nc1ccc(CC(=O)NCc2cccs2)cc1 c1csc(c1)[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)CC(=O)NC[*:1]
O=C(/C=C/c1cccs1)Nc1ccc(CC(=O)NCc2cccs2)cc1 c1csc(c1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)CC(=O)NCc1cccs1
O=C(Nc1ccccc1)c1cc2cccnc2n(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] O=C(Nc1ccccc1)c1cc2cccnc2n(c1=O)[*:1]
O=C(Nc1ccccc1)c1cc2cccnc2n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(N[*:1])c1cc2cccnc2n(Cc2ccccc2)c1=O
O=C(Nc1ccccc1)c1cc2cccnc2n(Cc2ccccc2)c1=O O=C(Nc1ccccc1)[*:1] O=c1c(cc2cccnc2n1Cc1ccccc1)[*:1]
O=C(Nc1ccccc1)c1cc2cccnc2n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1cc2cccnc2n(C[*:1])c1=O
NC(=O)c1ccc(OCC(=O)Nc2cccc3cnccc23)cc1 NC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1cccc2cnccc12
O=C([O-])/C=C/c1cc(C(=O)NCCn2cccn2)cs1 c1cnn(c1)C[*:1] O=C([O-])/C=C/c1cc(cs1)C(=O)NC[*:1]
O=C([O-])/C=C/c1cc(C(=O)NCCn2cccn2)cs1 O=C([O-])C=C[*:1] O=C(NCCn1cccn1)c1csc(c1)[*:1]
O=C([O-])/C=C/c1cc(C(=O)NCCn2cccn2)cs1 c1cnn(c1)[*:1] O=C([O-])/C=C/c1cc(cs1)C(=O)NCC[*:1]
O=C([O-])/C=C/c1cc(C(=O)NCCn2cccn2)cs1 O=C([O-])[*:1] O=C(NCCn1cccn1)c1csc(C=C[*:1])c1
CN(C)CC[NH+](CC(N)=O)C1CCCC1 NC(=O)C[*:1] CN(C)CC[NH+](C1CCCC1)[*:1]
CN(C)CC[NH+](CC(N)=O)C1CCCC1 CN(C)CC[*:1] NC(=O)C[NH+](C1CCCC1)[*:1]
CN(C)CC[NH+](CC(N)=O)C1CCCC1 NC(=O)[*:1] CN(C)CC[NH+](C[*:1])C1CCCC1
CN(C)CC[NH+](CC(N)=O)C1CCCC1 CN(C)C[*:1] NC(=O)C[NH+](C[*:1])C1CCCC1
CN(C)CC[NH+](CC(N)=O)C1CCCC1 C1CCC(C1)[*:1] CN(C)CC[NH+](CC(N)=O)[*:1]
CN(C)CC[NH+](CC(N)=O)C1CCCC1 CN(C)[*:1] NC(=O)C[NH+](CC[*:1])C1CCCC1
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)[*:1]
[NH3+]CCSc1nnnn1-c1ccccc1 [NH3+]CCS[*:1] c1ccc(cc1)-n1nnnc1[*:1]
CS(=O)(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2CCOC2)C1 CS(=O)(=O)[*:1] C1C[C@@H](C[C@H](C1)[*:1])[NH2+][C@@H]1CCOC1
CS(=O)(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2CCOC2)C1 C1C[C@H](CO1)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[NH2+][*:1]
COc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)nc12 c1cncc(c1)C[*:1] COc1cccc2sc(nc12)N(C(=O)c1ccc(Cl)s1)[*:1]
COc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)nc12 Clc1ccc(s1)[*:1] COc1cccc2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
COc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)nc12 c1cncc(c1)[*:1] COc1cccc2sc(nc12)N(C[*:1])C(=O)c1ccc(Cl)s1
CC(C)C(=O)NCCNC(=O)NCC1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)C(=O)NCCNC(=O)NCC1(CC1)[*:1]
CC(C)C(=O)NCCNC(=O)NCC1(c2ccc(F)cc2)CC1 CC(C)C(=O)N[*:1] O=C(NCC[*:1])NCC1(CC1)c1ccc(F)cc1
CC(C)C(=O)NCCNC(=O)NCC1(c2ccc(F)cc2)CC1 CC(C)C(=O)NC[*:1] O=C(NCC1(CC1)c1ccc(F)cc1)NC[*:1]
CC(C)C(=O)NCCNC(=O)NCC1(c2ccc(F)cc2)CC1 CC(C)[*:1] O=C(NCCNC(=O)[*:1])NCC1(CC1)c1ccc(F)cc1
CC[C@@](C)([C@@H]([NH3+])c1occc1Br)N1CCOCC1 Brc1ccoc1[*:1] CC[C@@](C)([C@@H]([NH3+])[*:1])N1CCOCC1
CC[C@@](C)([C@@H]([NH3+])c1occc1Br)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)([C@@H]([NH3+])c1occc1Br)[*:1]
O=C1N=NC=C(NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H]1Cl c1coc(c1)[*:1] O=C1N=NC=C(NC[C@H]([NH+]2CCCCC2)[*:1])[C@H]1Cl
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCC(C)(C)c2ccncc2)c1 CC(C)(c1ccncc1)[*:1] CC(C)(C)C(=O)Nc1ccc(F)c(c1)C(=O)NC[*:1]
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCC(C)(C)c2ccncc2)c1 c1cc(ccn1)[*:1] CC(C)(C)C(=O)Nc1ccc(F)c(c1)C(=O)NCC(C)(C)[*:1]
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCC(C)(C)c2ccncc2)c1 CC(C)(C)C(=O)N[*:1] CC(C)(CNC(=O)c1cc(ccc1F)[*:1])c1ccncc1
CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCC(C)(C)c2ccncc2)c1 CC(C)(C)[*:1] CC(C)(CNC(=O)c1cc(ccc1F)NC(=O)[*:1])c1ccncc1
C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]cnc2c1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]cnc2c1)C[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]cnc2c1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]cnc2c1)[*:1]
CCNC(=O)c1ccsc1-n1c(C)ccc1C CCNC(=O)[*:1] Cc1ccc(C)n1-c1sccc1[*:1]
CCc1ccccc1NC(=O)Cn1c(=O)nc(-c2cccs2)c2nc(N3CCOCC3)sc21 C1CN(CCO1)[*:1] CCc1ccccc1NC(=O)Cn1c(=O)nc(-c2cccs2)c2nc(sc21)[*:1]
CCc1ccccc1NC(=O)Cn1c(=O)nc(-c2cccs2)c2nc(N3CCOCC3)sc21 CCc1ccccc1[*:1] O=C(Cn1c(=O)nc(-c2cccs2)c2nc(sc21)N1CCOCC1)N[*:1]
CCc1ccccc1NC(=O)Cn1c(=O)nc(-c2cccs2)c2nc(N3CCOCC3)sc21 CCc1ccccc1NC(=O)[*:1] O=c1nc(-c2cccs2)c2nc(sc2n1C[*:1])N1CCOCC1
CCc1ccccc1NC(=O)Cn1c(=O)nc(-c2cccs2)c2nc(N3CCOCC3)sc21 c1csc(c1)[*:1] CCc1ccccc1NC(=O)Cn1c(=O)nc(c2nc(sc21)N1CCOCC1)[*:1]
CC(=O)N1CC[C@H](N[C@H](C)c2nc(-c3ccccc3)cs2)C1 c1ccc(cc1)[*:1] CC(=O)N1CC[C@@H](C1)N[C@H](C)c1nc(cs1)[*:1]
COc1ccccc1/C=c1\sc2nc(-c3ccccc3OC(C)=O)nn2c1=O COc1ccccc1[*:1] CC(=O)Oc1ccccc1-c1nc2sc(=C[*:1])c(=O)n2n1
COc1ccccc1/C=c1\sc2nc(-c3ccccc3OC(C)=O)nn2c1=O CC(=O)O[*:1] COc1ccccc1/C=c1\sc2nc(nn2c1=O)-c1ccccc1[*:1]
CCCN1CCN(C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)CC1 c1ccc(cc1)[*:1] CCCN1CCN(CC1)C(=O)c1cc(nc2onc(C)c12)[*:1]
CCCN1CCN(C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)CC1 CCC[*:1] Cc1noc2nc(cc(C(=O)N3CCN(CC3)[*:1])c12)-c1ccccc1
C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CN(C)S(=O)(=O)c1ccc(CN2CCCc3cccc(F)c32)o1 CN(C)S(=O)(=O)[*:1] Fc1cccc2CCCN(Cc3ccc(o3)[*:1])c12
CCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 Cn1cc(cn1)[*:1] CCN(C[*:1])S(=O)(=O)c1cc(Cl)c(C)c(c1)[N+](=O)[O-]
CCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 Cn1cc(cn1)C[*:1] CCN(S(=O)(=O)c1cc(Cl)c(C)c(c1)[N+](=O)[O-])[*:1]
CCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(Cl)c(C)c(c1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 Cc1noc(C)c1[*:1] C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@H](C)[*:1])C1
COC[C@H](NC(=O)c1cccc(-c2n[nH]c(C)n2)c1)c1ccc(C)o1 Cc1ccc(o1)[*:1] COC[C@H](NC(=O)c1cccc(c1)-c1n[nH]c(C)n1)[*:1]
COC[C@H](NC(=O)c1cccc(-c2n[nH]c(C)n2)c1)c1ccc(C)o1 COC[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)N[C@H](c1ccc(C)o1)[*:1]
COC[C@H](NC(=O)c1cccc(-c2n[nH]c(C)n2)c1)c1ccc(C)o1 Cc1nc(n[nH]1)[*:1] COC[C@H](NC(=O)c1cccc(c1)[*:1])c1ccc(C)o1
C=C(C)C[NH+]1CCN(c2nc(CCCC)c3c(c2C#N)CC(C)(C)OC3)CC1 C=C(C)[*:1] CCCCc1nc(c(C#N)c2CC(C)(C)OCc12)N1CC[NH+](CC1)C[*:1]
C=C(C)C[NH+]1CCN(c2nc(CCCC)c3c(c2C#N)CC(C)(C)OC3)CC1 CCCC[*:1] C=C(C)C[NH+]1CCN(CC1)c1nc(c2COC(C)(C)Cc2c1C#N)[*:1]
C=C(C)C[NH+]1CCN(c2nc(CCCC)c3c(c2C#N)CC(C)(C)OC3)CC1 CCC[*:1] C=C(C)C[NH+]1CCN(CC1)c1nc(C[*:1])c2COC(C)(C)Cc2c1C#N
Cc1ccc2c(c1)N(Cc1nc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)co1)C(=O)CO2 Clc1cccc(c1)[*:1] Cc1ccc2OCC(=O)N(Cc3nc(co3)C(=O)N3CCN(CC3)[*:1])c2c1
O=C([O-])C[NH+](Cc1cccc(Br)c1)C1CC1 C1CC1[*:1] O=C([O-])C[NH+](Cc1cccc(Br)c1)[*:1]
O=C([O-])C[NH+](Cc1cccc(Br)c1)C1CC1 O=C([O-])[*:1] Brc1cccc(c1)C[NH+](C[*:1])C1CC1
C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C1=O Fc1ccc(cc1)[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(CCCCC(=O)N[C@@H]2CCCn3c(C)nnc32)cc1 Cc1ccc(cc1)C[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)CCC[*:1]
Cc1ccc(CCCCC(=O)N[C@@H]2CCCn3c(C)nnc32)cc1 Cc1ccc(cc1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)CCCC[*:1]
CNC(=O)[C@@H]1CCCCN1c1ccc(C#N)c([N+](=O)[O-])c1 CNC(=O)[*:1] N#Cc1ccc(cc1[N+](=O)[O-])N1CCCC[C@H]1[*:1]
CNC(=O)[C@@H]1CCCCN1c1ccc(C#N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)[C@@H]1CCCCN1c1ccc(C#N)c(c1)[*:1]
CC[C@H](CCO)C[NH2+][C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C OCC[*:1] CC[C@H](C[NH2+][C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)[*:1]
CC[C@H](CCO)C[NH2+][C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C CC[C@H](CCO)[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@H](C2)[NH2+]C[*:1]
CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CN(C2CC2)CCO1 C1CC1[*:1] CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CN(CCO1)[*:1]
CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CN(C2CC2)CCO1 CCS[*:1] C[C@H]([NH2+]C[C@@H]1CN(CCO1)C1CC1)c1ccccc1[*:1]
COc1ccccc1CNC(=O)NCc1ccnc(C)n1 Cc1nccc(n1)[*:1] COc1ccccc1CNC(=O)NC[*:1]
O=C(/C=C/c1ccccc1Cl)Nc1ccc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1Cl)Nc1ccc(cn1)[*:1]
O=C(/C=C/c1ccccc1Cl)Nc1ccc([N+](=O)[O-])cn1 Clc1ccccc1[*:1] O=C(C=C[*:1])Nc1ccc(cn1)[N+](=O)[O-]
Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3cc(C)n(C4CCCC4)n3)c12 C1CCC(C1)[*:1] Cc1noc2nc(cc(C(=O)Nc3cc(C)n(n3)[*:1])c12)-c1cnn(C)c1
Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3cc(C)n(C4CCCC4)n3)c12 Cn1cc(cn1)[*:1] Cc1noc2nc(cc(C(=O)Nc3cc(C)n(n3)C3CCCC3)c12)[*:1]
NC(=O)Cn1nnc2ccccc21 NC(=O)C[*:1] c1ccc2c(c1)nnn2[*:1]
NC(=O)Cn1nnc2ccccc21 NC(=O)[*:1] c1ccc2c(c1)nnn2C[*:1]
CCOc1ccc(C2=CCN(C(=O)C3(O)CCCC3)CC2)cc1 CCO[*:1] O=C(N1CC=C(CC1)c1ccc(cc1)[*:1])C1(O)CCCC1
CCOc1ccc(C2=CCN(C(=O)C3(O)CCCC3)CC2)cc1 OC1(CCCC1)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)[*:1]
Cc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2N)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(n1N)[*:1]
COc1ccccc1COC1CCN(S(=O)(=O)N2CCCCC2)CC1 COc1ccccc1[*:1] O=S(=O)(N1CCCCC1)N1CCC(CC1)OC[*:1]
[O-]c1nc(-c2cc[nH+]c(N3CCOCC3)c2)nc2ccccc12 C1CN(CCO1)[*:1] [O-]c1nc(nc2ccccc12)-c1cc[nH+]c(c1)[*:1]
Cc1ccc(CC(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1ccccc1CN(Cc1cccnc1)C(=O)[*:1]
Cc1ccc(CC(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)CC(=O)N(Cc1ccccc1C)C[*:1]
Cc1ccc(CC(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1CN(Cc1cccnc1)C(=O)C[*:1]
Cc1ccc(CC(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)CC(=O)N(Cc1ccccc1C)[*:1]
Cc1ccc(CC(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)CC(=O)N(Cc1cccnc1)C[*:1]
Cc1ccc(CC(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1 Cc1ccccc1C[*:1] Cc1ccc(cc1)CC(=O)N(Cc1cccnc1)[*:1]
O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccccc1F Fc1cccc(c1)[*:1] O=C(CSc1ccc2nnc(n2n1)[*:1])Nc1ccccc1F
O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)N[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)NCC(=O)NC1CC1 C1CC1[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)NCC(=O)N[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)NCC(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)NC[*:1]
O=C(NCCCC1CCCC1)C(=O)Nc1ccc2[nH]ccc2c1 C1CCC(C1)C[*:1] O=C(NCC[*:1])C(=O)Nc1ccc2[nH]ccc2c1
O=C(NCCCC1CCCC1)C(=O)Nc1ccc2[nH]ccc2c1 C1CCC(C1)[*:1] O=C(NCCC[*:1])C(=O)Nc1ccc2[nH]ccc2c1
O=C(NCCCC1CCCC1)C(=O)Nc1ccc2[nH]ccc2c1 C1CCC(C1)CC[*:1] O=C(NC[*:1])C(=O)Nc1ccc2[nH]ccc2c1
CC(C)=C[C@H]([NH3+])[C@@H]1CCc2ccccc2C1 CC(C)=C[*:1] [NH3+][C@H]([C@@H]1CCc2ccccc2C1)[*:1]
Cc1cc(N(C)C(C)C)cc(C(=O)[O-])c1N CC(C)[*:1] Cc1cc(cc(C(=O)[O-])c1N)N(C)[*:1]
Cc1cc(N(C)C(C)C)cc(C(=O)[O-])c1N CC(C)N(C)[*:1] Cc1cc(cc(C(=O)[O-])c1N)[*:1]
Cc1cc(N(C)C(C)C)cc(C(=O)[O-])c1N O=C([O-])[*:1] Cc1cc(cc(c1N)[*:1])N(C)C(C)C
c1cnc(N2CC[NH+](CCCNc3nc4ccccc4nc3N3CCOCC3)CC2)nc1 C1CN(CCO1)[*:1] c1cnc(nc1)N1CC[NH+](CCCNc2nc3ccccc3nc2[*:1])CC1
c1cnc(N2CC[NH+](CCCNc3nc4ccccc4nc3N3CCOCC3)CC2)nc1 c1cnc(nc1)[*:1] c1ccc2nc(c(nc2c1)NCCC[NH+]1CCN(CC1)[*:1])N1CCOCC1
C[C@@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)c1cc(no1)-c1cccc(F)c1)[*:1]
C[C@@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccccc1Cl Fc1cccc(c1)[*:1] C[C@@H](NC(=O)c1cc(no1)[*:1])c1ccccc1Cl
CN(C)[C@@H](C(=O)NCc1nc2ccccc2n1C)c1ccccc1F Fc1ccccc1[*:1] CN(C)[C@@H](C(=O)NCc1nc2ccccc2n1C)[*:1]
CN(C)[C@@H](C(=O)NCc1nc2ccccc2n1C)c1ccccc1F CN(C)[*:1] Cn1c(CNC(=O)[C@@H](c2ccccc2F)[*:1])nc2ccccc21
CC(C)(C)[C@@H]1CCc2sc(C(=O)NCCCCn3ccccc3=O)cc2C1 O=c1ccccn1CC[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)NCC[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)NCCCCn3ccccc3=O)cc2C1 O=c1ccccn1[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)NCCCC[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)NCCCCn3ccccc3=O)cc2C1 O=c1ccccn1C[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)NCCC[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)NCCCCn3ccccc3=O)cc2C1 CC(C)(C)[*:1] O=C(NCCCCn1ccccc1=O)c1cc2C[C@@H](CCc2s1)[*:1]
CC(C)CC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc(Br)s3)ccc21 CC(C)[*:1] O=C(C[*:1])N1CCc2cc(ccc21)CNS(=O)(=O)c1ccc(Br)s1
CC(C)CC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc(Br)s3)ccc21 CC(C)C[*:1] O=C(N1CCc2cc(ccc21)CNS(=O)(=O)c1ccc(Br)s1)[*:1]
CC(C)CC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc(Br)s3)ccc21 Brc1ccc(s1)[*:1] CC(C)CC(=O)N1CCc2cc(ccc21)CNS(=O)(=O)[*:1]
O=C(c1ccc(Cn2cc(Br)cn2)o1)N1N=C(C(F)F)C[C@]1(O)C(F)F FC(F)[*:1] O=C(c1ccc(Cn2cc(Br)cn2)o1)N1N=C(C[C@]1(O)C(F)F)[*:1]
O=C(c1ccc(Cn2cc(Br)cn2)o1)N1N=C(C(F)F)C[C@]1(O)C(F)F Brc1cnn(c1)C[*:1] O=C(c1ccc(o1)[*:1])N1N=C(C[C@]1(O)C(F)F)C(F)F
O=C(c1ccc(Cn2cc(Br)cn2)o1)N1N=C(C(F)F)C[C@]1(O)C(F)F FC(F)[*:1] O=C(c1ccc(Cn2cc(Br)cn2)o1)N1N=C(C[C@@]1(O)[*:1])C(F)F
O=C(c1ccc(Cn2cc(Br)cn2)o1)N1N=C(C(F)F)C[C@]1(O)C(F)F Brc1cnn(c1)[*:1] O=C(c1ccc(C[*:1])o1)N1N=C(C[C@]1(O)C(F)F)C(F)F
C[C@@H]1CN(CCn2c(=O)oc3cccnc32)[C@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(CCn2c(=O)oc3cccnc32)[C@H](CO1)[*:1]
O=C(NC1CC1)C1CCN(C(=O)c2ccc(I)cc2)CC1 O=C(NC1CC1)[*:1] O=C(c1ccc(I)cc1)N1CCC(CC1)[*:1]
O=C(NC1CC1)C1CCN(C(=O)c2ccc(I)cc2)CC1 Ic1ccc(cc1)[*:1] O=C(NC1CC1)C1CCN(CC1)C(=O)[*:1]
O=C(NC1CC1)C1CCN(C(=O)c2ccc(I)cc2)CC1 C1CC1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(I)cc1
Cc1occc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 Cc1occc1C(=O)[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@H](C#N)[*:1]
Cc1occc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 Cc1occc1[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@H](C#N)C(=O)[*:1]
Cc1occc1C(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1 N#Cc1ccc(cc1)[*:1] Cc1occc1C(=O)[C@@H](C#N)c1nc(cs1)[*:1]
O=C(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1OCCc2ccccc21 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CCC(=O)N[*:1])NC[C@H]1OCCc2ccccc21
O=C(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1OCCc2ccccc21 O=[N+]([O-])[*:1] O=C(CCC(=O)Nc1ccc(cc1)[*:1])NC[C@H]1OCCc2ccccc21
C[C@@H](O)CCC(=O)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](O)CCC(=O)NC(c1ccccc1)[*:1]
C[C@@H](O)CCC(=O)NC(c1ccccc1)c1ccccc1 C[C@@H](O)[*:1] O=C(CC[*:1])NC(c1ccccc1)c1ccccc1
CNC(=O)c1cccc(C(=O)NC[C@H](OC)c2cccc(Cl)c2)c1 CNC(=O)[*:1] CO[C@@H](CNC(=O)c1cccc(c1)[*:1])c1cccc(Cl)c1
CNC(=O)c1cccc(C(=O)NC[C@H](OC)c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CNC(=O)c1cccc(c1)C(=O)NC[C@H](OC)[*:1]
COCCN(C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COCCN(C)C(=O)Nc1cccc(c1)CO[*:1]
COCCN(C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 Fc1cccc(c1)O[*:1] COCCN(C)C(=O)Nc1cccc(c1)C[*:1]
COCCN(C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 COCC[*:1] CN(C(=O)Nc1cccc(c1)COc1cccc(F)c1)[*:1]
COCCN(C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 COC[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)COc1cccc(F)c1
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])S(=O)(=O)c1ccc(Cl)cc1
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1cccc(F)c1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1cccc(F)c1)S(=O)(=O)[*:1]
Cc1nc2ccccc2c(=O)n1CCOC(=O)C(C)C CC(C)[*:1] Cc1nc2ccccc2c(=O)n1CCOC(=O)[*:1]
Cc1nc2ccccc2c(=O)n1CCOC(=O)C(C)C CC(C)C(=O)O[*:1] Cc1nc2ccccc2c(=O)n1CC[*:1]
CCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O FC(F)(F)[*:1] CCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(c2)[*:1])c1=O
CNc1cccc(CN2CCC[C@H](C(F)(F)F)C2)[nH+]1 FC(F)(F)[*:1] CNc1cccc(CN2CCC[C@H](C2)[*:1])[nH+]1
O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 FC(F)[*:1] O=S(=O)(Nc1ccc(cc1)S(=O)(=O)[*:1])c1ccccc1
O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(cc1)NS(=O)(=O)[*:1])C(F)F
O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 O=S(=O)(C(F)F)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccccc1
COC(=O)c1cccc(NC2CCN(C(=O)c3cn(C)nc3C(C)(C)C)CC2)c1 CC(C)(C)[*:1] COC(=O)c1cccc(c1)NC1CCN(CC1)C(=O)c1cn(C)nc1[*:1]
COC(=O)c1cccc(NC2CCN(C(=O)c3cn(C)nc3C(C)(C)C)CC2)c1 COC(=O)[*:1] Cn1cc(C(=O)N2CCC(CC2)Nc2cccc(c2)[*:1])c(n1)C(C)(C)C
Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCC1CCOCC1 C1CC(CCO1)[*:1] Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NC[*:1]
Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCC1CCOCC1 C1CC(CCO1)C[*:1] Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)N[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 C[C@H]1C[C@H]1[*:1] N#Cc1c(NC(=O)[*:1])sc2CCCc21
CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)c1ccc(C)s1 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)NNC(=O)c1ccc(C)s1)C[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)c1ccc(C)s1 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)NNC(=O)c1ccc(C)s1
CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)c1ccc(C)s1 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)NNC(=O)c1ccc(C)s1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)c1ccc(C)s1 Cc1ccc(s1)[*:1] CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)[*:1]
CC(C)(C)OC(=O)N1C[C@@H](CO)C[C@@H](F)C1 CC(C)(C)[*:1] O=C(O[*:1])N1C[C@@H](CO)C[C@@H](F)C1
CCC(=O)c1ccc(C2OCCO2)s1 CCC(=O)[*:1] c1cc(sc1C1OCCO1)[*:1]
O=C([O-])c1cn(-c2cc(Cl)ncn2)cn1 O=C([O-])[*:1] Clc1cc(ncn1)-n1cnc(c1)[*:1]
O=C([O-])c1ccc(S(=O)(=O)Cc2cnoc2)c(F)c1 O=C([O-])[*:1] O=S(=O)(Cc1cnoc1)c1ccc(cc1F)[*:1]
O=C([O-])c1ccc(S(=O)(=O)Cc2cnoc2)c(F)c1 c1nocc1C[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)[*:1]
O=C([O-])c1ccc(S(=O)(=O)Cc2cnoc2)c(F)c1 c1nocc1[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)C[*:1]
CCc1cccc(C)c1NC(=O)[C@@H](C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O CCc1cccc(C)c1[*:1] Cc1nn(c(=O)c2nn(-c3ccccc3)c(C)c12)[C@H](C)C(=O)N[*:1]
CCc1cccc(C)c1NC(=O)[C@@H](C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O c1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)[C@@H](C)n1nc(C)c2c(C)n(nc2c1=O)[*:1]
O=c1c2ccccc2ncn1Cc1noc(-c2ccsc2)n1 c1cc(cs1)[*:1] O=c1c2ccccc2ncn1Cc1noc(n1)[*:1]
CN(C)S(=O)(=O)c1cccc(Cn2c(=O)c(C#N)c3n(c2=O)CCC3)c1 CN(C)S(=O)(=O)[*:1] N#Cc1c2CCCn2c(=O)n(Cc2cccc(c2)[*:1])c1=O
C[C@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(N)=O NC(=O)[*:1] C[C@H](OC(=O)c1cc(nc2ccccc12)-c1ccc(F)cc1)[*:1]
C[C@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(N)=O Fc1ccc(cc1)[*:1] C[C@H](OC(=O)c1cc(nc2ccccc12)[*:1])C(N)=O
Cc1ccc(CN2CCSc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)c1ccc2SCCN(C[*:1])c2c1
Cc1ccc(CN2CCSc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 Cc1ccc(cc1)C[*:1] O=C(NC[C@@H]1CCCO1)c1ccc2SCCN(c2c1)[*:1]
Cc1ccc(CN2CCSc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 O=C(NC[C@@H]1CCCO1)[*:1] Cc1ccc(cc1)CN1CCSc2ccc(cc21)[*:1]
CCNC(=O)[C@H](C)n1ccnc1C(N)=S CCNC(=O)[*:1] C[C@H](n1ccnc1C(N)=S)[*:1]
CCNC(=O)[C@H](C)n1ccnc1C(N)=S NC(=S)[*:1] CCNC(=O)[C@H](C)n1ccnc1[*:1]
C[C@@H](O)C[C@H]1CCCN1C(=O)CC1CC1 C[C@@H](O)C[*:1] O=C(CC1CC1)N1CCC[C@@H]1[*:1]
C[C@@H](O)C[C@H]1CCCN1C(=O)CC1CC1 C1CC1[*:1] C[C@@H](O)C[C@H]1CCCN1C(=O)C[*:1]
C[C@@H](O)C[C@H]1CCCN1C(=O)CC1CC1 C1CC1C[*:1] C[C@@H](O)C[C@H]1CCCN1C(=O)[*:1]
C[C@@H](O)C[C@H]1CCCN1C(=O)CC1CC1 C[C@@H](O)[*:1] O=C(CC1CC1)N1CCC[C@@H]1C[*:1]
C[NH2+]CC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] C[NH2+]CC(=O)Nc1ccc(cc1)C(=O)NC[*:1]
C[NH2+]CC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 C[NH2+]CC(=O)N[*:1] O=C(NC[C@H]1CCCO1)c1ccc(cc1)[*:1]
C[NH2+]CC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] C[NH2+]CC(=O)Nc1ccc(cc1)C(=O)N[*:1]
O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc2c(c1)OCO2 c1csc(c1)[*:1] O=C(Nc1cccc(C#C[*:1])c1)c1ccc2OCOc2c1
O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc2c(c1)OCO2 C(#C[*:1])c1cccs1 O=C(Nc1cccc(c1)[*:1])c1ccc2OCOc2c1
CCn1nc(C)cc1C(=O)N1CC=C(c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CCn1nc(C)cc1C(=O)N1CC=C(CC1)[*:1]
Cc1ccc(C(=O)NCCNC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](c1ccco1)N(C(=O)NCCNC(=O)[*:1])C1CC1
Cc1ccc(C(=O)NCCNC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1F C1CC1[*:1] Cc1ccc(cc1F)C(=O)NCCNC(=O)N([C@@H](C)c1ccco1)[*:1]
Cc1ccc(C(=O)NCCNC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1F c1coc(c1)[*:1] Cc1ccc(cc1F)C(=O)NCCNC(=O)N(C1CC1)[C@@H](C)[*:1]
O=C1CN(c2nc(-c3ccccc3)c3ccccc3n2)c2ccccc2N1 c1ccc(cc1)[*:1] O=C1CN(c2nc(c3ccccc3n2)[*:1])c2ccccc2N1
CCOCC(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 c1ccc(cc1)[*:1] CCOCC(=O)N1CCC2(CC1)CC(=O)N(CCC[*:1])C2
CCOCC(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 c1ccc(cc1)C[*:1] CCOCC(=O)N1CCC2(CC1)CC(=O)N(CC[*:1])C2
CCOCC(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 c1ccc(cc1)CC[*:1] CCOCC(=O)N1CCC2(CC1)CC(=O)N(C2)C[*:1]
CCOCC(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 CCOC[*:1] O=C1CC2(CCN(CC2)C(=O)[*:1])CN1CCCc1ccccc1
CCOCC(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 CCO[*:1] O=C(C[*:1])N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2
CCC[C@H](C)/C([O-])=N/S(=O)(=O)c1ccc(C)c(C)c1 CCC[*:1] Cc1ccc(cc1C)S(=O)(=O)/N=C(\[O-])[C@@H](C)[*:1]
Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCN(CC1)[*:1])-c1c(C)noc1C
Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 Cc1noc(C)c1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1]
Cc1[nH+]cn(C[C@@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(Br)cc2)c1C Brc1ccc(cc1)[*:1] Cc1[nH+]cn(C[C@@H](C)[NH2+][C@@H](C)[C@H](O)[*:1])c1C
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H]1CC[C@H](CN1C(=O)COc1ccc(cc1)OC[*:1])C(N)=O
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(OCc2ccccc2)cc1 NC(=O)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)COc1ccc(cc1)OCc1ccccc1)[*:1]
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] C[C@@H]1CC[C@H](CN1C(=O)COc1ccc(cc1)O[*:1])C(N)=O
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] C[C@@H]1CC[C@H](CN1C(=O)COc1ccc(cc1)[*:1])C(N)=O
CC1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC1(C)CCCN1C(=O)c1ccc(cc1)[*:1]
NC(=O)CONC(=O)COc1cc(F)ccc1F NC(=O)C[*:1] O=C(COc1cc(F)ccc1F)NO[*:1]
NC(=O)CONC(=O)COc1cc(F)ccc1F NC(=O)[*:1] O=C(COc1cc(F)ccc1F)NOC[*:1]
COCCCNC(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 COC[*:1] O=C(NCC[*:1])N1CC=C(CC1)c1c[nH]c2cc(F)ccc12
COCCCNC(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 COCC[*:1] O=C(NC[*:1])N1CC=C(CC1)c1c[nH]c2cc(F)ccc12
COCCCNC(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 COCCC[*:1] O=C(N[*:1])N1CC=C(CC1)c1c[nH]c2cc(F)ccc12
CCc1nn(C)c(N2CCC(c3nncn3C)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(c1[*:1])N1CCC(CC1)c1nncn1C
CCc1nn(C)c(N2CCC(c3nncn3C)CC2)c1[N+](=O)[O-] Cn1cnnc1[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N1CCC(CC1)[*:1]
COc1cc(OC)c(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)cc1Cl c1cc(cs1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)CN1CC[NH+](CC1)C[*:1]
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)C(C)C)CC1 CC(C)[*:1] CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(CC1)C(=O)[*:1]
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)C(C)C)CC1 CC[C@@H](C)[*:1] CC(C)C(=O)N1CCC(CC1)[C@@H](NC(=O)c1cccs1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)C(C)C)CC1 O=C(N[*:1])c1cccs1 CC[C@@H](C)NC(=O)[C@H](C1CCN(CC1)C(=O)C(C)C)[*:1]
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)C(C)C)CC1 CC[C@@H](C)NC(=O)[*:1] CC(C)C(=O)N1CCC(CC1)[C@@H](NC(=O)c1cccs1)[*:1]
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)C(C)C)CC1 c1csc(c1)[*:1] CC[C@@H](C)NC(=O)[C@H](NC(=O)[*:1])C1CCN(CC1)C(=O)C(C)C
CCCn1nnnc1NCc1c(Cl)cccc1Cl CCC[*:1] Clc1cccc(Cl)c1CNc1nnnn1[*:1]
COCCN(C(=O)NCCC1CC1)[C@H]1CCS(=O)(=O)C1 COCC[*:1] O=C(NCCC1CC1)N([C@H]1CCS(=O)(=O)C1)[*:1]
COCCN(C(=O)NCCC1CC1)[C@H]1CCS(=O)(=O)C1 C1CC1CC[*:1] COCCN(C(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
COCCN(C(=O)NCCC1CC1)[C@H]1CCS(=O)(=O)C1 C1CC1C[*:1] COCCN(C(=O)NC[*:1])[C@H]1CCS(=O)(=O)C1
COCCN(C(=O)NCCC1CC1)[C@H]1CCS(=O)(=O)C1 COC[*:1] O=C(NCCC1CC1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COCCN(C(=O)NCCC1CC1)[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] COCCN(C(=O)NCC[*:1])[C@H]1CCS(=O)(=O)C1
FC(F)c1nnc(N2CCC[C@@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)s1 FC(F)c1nnc(s1)[*:1] c1ccc(cc1)-c1c[nH]c([nH+]1)[C@@H]1CCCN(C1)[*:1]
FC(F)c1nnc(N2CCC[C@@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)s1 FC(F)[*:1] c1ccc(cc1)-c1c[nH]c([nH+]1)[C@@H]1CCCN(C1)c1nnc(s1)[*:1]
FC(F)c1nnc(N2CCC[C@@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)s1 c1ccc(cc1)[*:1] FC(F)c1nnc(s1)N1CCC[C@H](C1)c1[nH]cc([nH+]1)[*:1]
C#CCN1CCN(C(=O)N[C@@H](Cc2cccc(OC)c2)C2CC2)CC1 COc1cccc(c1)[*:1] C#CCN1CCN(CC1)C(=O)N[C@@H](C[*:1])C1CC1
C#CCN1CCN(C(=O)N[C@@H](Cc2cccc(OC)c2)C2CC2)CC1 C#CC[*:1] COc1cccc(c1)C[C@H](NC(=O)N1CCN(CC1)[*:1])C1CC1
C#CCN1CCN(C(=O)N[C@@H](Cc2cccc(OC)c2)C2CC2)CC1 C1CC1[*:1] C#CCN1CCN(CC1)C(=O)N[C@@H](Cc1cccc(c1)OC)[*:1]
CC(C)NC(=O)CCNC(=O)N1c2ccccc2C[C@@H]1C CC(C)NC(=O)[*:1] C[C@H]1Cc2ccccc2N1C(=O)NCC[*:1]
CC(C)NC(=O)CCNC(=O)N1c2ccccc2C[C@@H]1C CC(C)[*:1] C[C@H]1Cc2ccccc2N1C(=O)NCCC(=O)N[*:1]
CC(C)NC(=O)CCNC(=O)N1c2ccccc2C[C@@H]1C CC(C)NC(=O)C[*:1] C[C@H]1Cc2ccccc2N1C(=O)NC[*:1]
O=C([O-])CCCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21 O=C([O-])CC[*:1] O=C1CCc2cc(ccc2N1CC[*:1])[N+](=O)[O-]
O=C([O-])CCCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21 O=C([O-])CCCC[*:1] O=C1CCc2cc(ccc2N1[*:1])[N+](=O)[O-]
O=C([O-])CCCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] O=C([O-])CCCCN1C(=O)CCc2cc(ccc21)[*:1]
O=C([O-])CCCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21 O=C([O-])C[*:1] O=C1CCc2cc(ccc2N1CCC[*:1])[N+](=O)[O-]
O=C([O-])CCCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21 O=C([O-])[*:1] O=C1CCc2cc(ccc2N1CCCC[*:1])[N+](=O)[O-]
O=C([O-])CCCCN1C(=O)CCc2cc([N+](=O)[O-])ccc21 O=C([O-])CCC[*:1] O=C1CCc2cc(ccc2N1C[*:1])[N+](=O)[O-]
CN(c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1)S(=O)(=O)c1ccccc1 c1cc2OCCOc2cc1[*:1] CN(c1ccc(cc1)C(=O)N[*:1])S(=O)(=O)c1ccccc1
CN(c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(c1ccc(cc1)C(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)[*:1]
CC(C)[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)[*:1]
CC(C)[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C[*:1])C(=O)[O-]
CC(C)[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] CC(C)[*:1] [NH3+][C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[*:1]
CCOc1cccnc1C(=O)O[C@@H](C)c1cccc(OC)c1 CCO[*:1] COc1cccc(c1)[C@H](C)OC(=O)c1ncccc1[*:1]
Cc1ccsc1C(=O)[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 c1ccc(cc1)C[*:1] Cc1ccsc1C(=O)[C@@H]1CCCN(C1)C(=O)NC[*:1]
Cc1ccsc1C(=O)[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 Cc1ccsc1C(=O)[*:1] O=C(NCCc1ccccc1)N1CCC[C@H](C1)[*:1]
Cc1ccsc1C(=O)[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccsc1C(=O)[C@@H]1CCCN(C1)C(=O)NCC[*:1]
Cc1ccsc1C(=O)[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 Cc1ccsc1[*:1] O=C(NCCc1ccccc1)N1CCC[C@H](C1)C(=O)[*:1]
Cc1ccsc1C(=O)[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 c1ccc(cc1)CC[*:1] Cc1ccsc1C(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CCNC(=O)c1cccc(CNCc2cnc(-c3cccnc3)s2)c1 c1cncc(c1)[*:1] CCNC(=O)c1cccc(c1)CNCc1cnc(s1)[*:1]
CCNC(=O)c1cccc(CNCc2cnc(-c3cccnc3)s2)c1 CCNC(=O)[*:1] c1cncc(c1)-c1ncc(CNCc2cccc(c2)[*:1])s1
O=C1CO[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@H]2N1CC1CCCCC1 C1CCC(CC1)C[*:1] O=C1CO[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@H]2N1[*:1]
O=C1CO[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@H]2N1CC1CCCCC1 C1CCC(CC1)[*:1] O=C1CO[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@H]2N1C[*:1]
CSc1cccc2sc(NC(=O)CCCS(=O)(=O)c3ccccc3)nc12 c1ccc(cc1)[*:1] CSc1cccc2sc(nc12)NC(=O)CCCS(=O)(=O)[*:1]
Cc1ccc(N2CCC(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2)nn1 Cc1ccc(nn1)[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)C3CCN(CC3)[*:1])sc2c1
Cc1ccc(N2CCC(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2)nn1 CS(=O)(=O)[*:1] Cc1ccc(nn1)N1CCC(CC1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
O=c1c2[nH]c3ccc(Cl)cc3c2ncn1/N=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=c1c2[nH]c3ccc(Cl)cc3c2ncn1/N=C/c1ccc(cc1)[*:1]
CCOC(=O)N1CCN(C(=O)c2csc(Nc3ccccc3)n2)CC1 c1ccc(cc1)N[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1csc(n1)[*:1]
CCOC(=O)N1CCN(C(=O)c2csc(Nc3ccccc3)n2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1csc(n1)N[*:1]
COc1ccc(N)c(C(=O)N[C@H](C)CCCO)c1 OCCC[*:1] COc1ccc(N)c(c1)C(=O)N[C@H](C)[*:1]
COc1ccc(N)c(C(=O)N[C@H](C)CCCO)c1 C[C@H](CCCO)[*:1] COc1ccc(N)c(c1)C(=O)N[*:1]
COc1ccc(N)c(C(=O)N[C@H](C)CCCO)c1 OCC[*:1] COc1ccc(N)c(c1)C(=O)N[C@H](C)C[*:1]
Cc1cccc(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 Cc1cccc(c1)[*:1] O=C(Nc1cccc(c1)CNC(=O)[*:1])[C@H]1CCCO1
Cc1cccc(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 O=C(N[*:1])[C@H]1CCCO1 Cc1cccc(c1)C(=O)NCc1cccc(c1)[*:1]
Cc1cccc(C)c1OCCNC(=O)c1ccc([S@](=O)C(C)C)cc1 Cc1cccc(C)c1[*:1] CC(C)[S@@](=O)c1ccc(cc1)C(=O)NCCO[*:1]
Cc1cccc(C)c1OCCNC(=O)c1ccc([S@](=O)C(C)C)cc1 CC(C)[*:1] Cc1cccc(C)c1OCCNC(=O)c1ccc(cc1)[S@](=O)[*:1]
CC[C@@H](CSC)N(C)C(=O)/C=C/c1c(Cl)nc2ccccn12 CSC[*:1] CC[C@@H](N(C)C(=O)/C=C/c1c(Cl)nc2ccccn12)[*:1]
Clc1ncc(CNc2ccc(-n3cccn3)cc2)s1 Clc1ncc(s1)[*:1] c1cnn(c1)-c1ccc(cc1)NC[*:1]
Clc1ncc(CNc2ccc(-n3cccn3)cc2)s1 c1cnn(c1)[*:1] Clc1ncc(CNc2ccc(cc2)[*:1])s1
CCC1(CNC(=O)NCC[S@](C)=O)CCC1 C[S@](=O)[*:1] CCC1(CCC1)CNC(=O)NCC[*:1]
CCC1(CNC(=O)NCC[S@](C)=O)CCC1 C[S@](=O)C[*:1] CCC1(CCC1)CNC(=O)NC[*:1]
CCC1(CNC(=O)NCC[S@](C)=O)CCC1 C[S@](=O)CC[*:1] CCC1(CCC1)CNC(=O)N[*:1]
Cc1ccc(NC(=O)[C@H](C)OCC2CC2)cc1N1CCCS1(=O)=O C1CC1CO[*:1] Cc1ccc(cc1N1CCCS1(=O)=O)NC(=O)[C@H](C)[*:1]
Cc1ccc(NC(=O)[C@H](C)OCC2CC2)cc1N1CCCS1(=O)=O C1CC1C[*:1] Cc1ccc(cc1N1CCCS1(=O)=O)NC(=O)[C@H](C)O[*:1]
Cc1ccc(NC(=O)[C@H](C)OCC2CC2)cc1N1CCCS1(=O)=O C[C@H](OCC1CC1)[*:1] Cc1ccc(cc1N1CCCS1(=O)=O)NC(=O)[*:1]
Cc1ccc(NC(=O)[C@H](C)OCC2CC2)cc1N1CCCS1(=O)=O O=S1(=O)CCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H](C)OCC1CC1
Cc1ccc(NC(=O)[C@H](C)OCC2CC2)cc1N1CCCS1(=O)=O C1CC1[*:1] Cc1ccc(cc1N1CCCS1(=O)=O)NC(=O)[C@H](C)OC[*:1]
CC(=O)Nc1ccc(C)cc1C1SCCS1 CC(=O)N[*:1] Cc1ccc(c(c1)C1SCCS1)[*:1]
CC(=O)Nc1ccc(C)cc1C1SCCS1 C1CSC(S1)[*:1] CC(=O)Nc1ccc(C)cc1[*:1]
Nc1ccc(/C=N\N=C2\NC(=O)[C@@H](CC(=O)c3ccccc3)S2)cc1 O=C(c1ccccc1)[*:1] Nc1ccc(/C=N\N=C2\NC(=O)[C@@H](C[*:1])S2)cc1
Nc1ccc(/C=N\N=C2\NC(=O)[C@@H](CC(=O)c3ccccc3)S2)cc1 c1ccc(cc1)[*:1] Nc1ccc(/C=N\N=C2\NC(=O)[C@@H](CC(=O)[*:1])S2)cc1
Nc1ccc(/C=N\N=C2\NC(=O)[C@@H](CC(=O)c3ccccc3)S2)cc1 Nc1ccc(cc1)[*:1] O=C(C[C@H]1S/C(=N\N=C[*:1])NC1=O)c1ccccc1
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1 COc1ccc(cc1)[*:1] O=C(CCc1c([nH]c2ccccc12)[*:1])Nc1ccc2SCC(=O)Nc2c1
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1 O=C1CSc2ccc(cc2N1)[*:1] COc1ccc(cc1)-c1[nH]c2ccccc2c1CCC(=O)N[*:1]
C[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl O=c1[nH]nc(c(=O)[nH]1)[*:1] C[C@@H](N[*:1])C(=O)N/N=C/c1ccc(Cl)cc1Cl
C[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)NN=C[*:1]
Cc1cc(OC(=O)[C@H](C)Cl)cc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2 Clc1ccc(cc1)[*:1] Cc1cc(cc2OC(=C[*:1])C(=O)c12)OC(=O)[C@H](C)Cl
Cc1ccc(NC(=O)CN2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)CN2C[C@H](C)OC[C@@H]2C)c(c1)[*:1]
CCC[NH2+][C@@H](CC)c1ccn(C[C@@H](C)O)c1 C[C@@H](O)C[*:1] CCC[NH2+][C@@H](CC)c1ccn(c1)[*:1]
CCC[NH2+][C@@H](CC)c1ccn(C[C@@H](C)O)c1 C[C@@H](O)[*:1] CCC[NH2+][C@@H](CC)c1ccn(c1)C[*:1]
CCC[NH2+][C@@H](CC)c1ccn(C[C@@H](C)O)c1 CCC[*:1] CC[C@H]([NH2+][*:1])c1ccn(c1)C[C@@H](C)O
CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 CC(C)(C)[*:1] O=C(CCNC(=O)[*:1])N[C@H]1CCS(=O)(=O)C1
COc1ccc(OCc2nc(N)cc(SCC(=O)[O-])n2)cc1 O=C([O-])[*:1] COc1ccc(cc1)OCc1nc(N)cc(n1)SC[*:1]
COc1ccc(OCc2nc(N)cc(SCC(=O)[O-])n2)cc1 O=C([O-])CS[*:1] COc1ccc(cc1)OCc1nc(N)cc(n1)[*:1]
COc1ccc(OCc2nc(N)cc(SCC(=O)[O-])n2)cc1 O=C([O-])C[*:1] COc1ccc(cc1)OCc1nc(N)cc(n1)S[*:1]
Cc1cc(C(=O)N2CCN(Cc3cc(C)n(-c4nccs4)c3C)CC2)on1 Cc1cc(on1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)[*:1])c(C)n1-c1nccs1
Cc1cc(C(=O)N2CCN(Cc3cc(C)n(-c4nccs4)c3C)CC2)on1 c1csc(n1)[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)Cc1cc(C)n(c1C)[*:1]
COc1ccc(N2C[C@H](C(=O)N(C)Cc3cnn(C)c3)CC2=O)c(OC)c1 Cn1cc(cn1)C[*:1] COc1ccc(c(c1)OC)N1C[C@@H](CC1=O)C(=O)N(C)[*:1]
COc1ccc(N2C[C@H](C(=O)N(C)Cc3cnn(C)c3)CC2=O)c(OC)c1 Cn1cc(cn1)[*:1] COc1ccc(c(c1)OC)N1C[C@@H](CC1=O)C(=O)N(C)C[*:1]
Cc1nn(CCCC(=O)N[C@@H](C)c2ccccc2)c(=O)c2nn(-c3ccccc3)c(C)c12 C[C@@H](c1ccccc1)[*:1] Cc1nn(CCCC(=O)N[*:1])c(=O)c2nn(-c3ccccc3)c(C)c12
Cc1nn(CCCC(=O)N[C@@H](C)c2ccccc2)c(=O)c2nn(-c3ccccc3)c(C)c12 c1ccc(cc1)[*:1] Cc1nn(CCCC(=O)N[C@@H](C)[*:1])c(=O)c2nn(-c3ccccc3)c(C)c12
Cc1nn(CCCC(=O)N[C@@H](C)c2ccccc2)c(=O)c2nn(-c3ccccc3)c(C)c12 c1ccc(cc1)[*:1] Cc1nn(CCCC(=O)N[C@@H](C)c2ccccc2)c(=O)c2nn(c(C)c12)[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)NCC#CCOc1ccccc1F Fc1ccccc1[*:1] O=C(/C=C/c1ccc2OCOc2c1)NCC#CCO[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)NCC#CCOc1ccccc1F Fc1ccccc1O[*:1] O=C(/C=C/c1ccc2OCOc2c1)NCC#CC[*:1]
Cc1cccc(NC(=O)CSCC(=O)N2C[C@@H](C)S[C@H](C)C2)c1 Cc1cccc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)CSCC(=O)N[*:1]
COc1ccc(NC(=O)Nc2cccc(-c3noc(-c4cccs4)n3)c2)cc1OC c1csc(c1)-c1nc(no1)[*:1] COc1ccc(cc1OC)NC(=O)Nc1cccc(c1)[*:1]
COc1ccc(NC(=O)Nc2cccc(-c3noc(-c4cccs4)n3)c2)cc1OC COc1ccc(cc1OC)[*:1] O=C(Nc1cccc(c1)-c1noc(n1)-c1cccs1)N[*:1]
COc1ccc(NC(=O)Nc2cccc(-c3noc(-c4cccs4)n3)c2)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)NC(=O)Nc1cccc(c1)-c1noc(n1)[*:1]
O=C(NC[C@@H](CCO)c1ccccc1)Nc1cccc(-c2ncon2)c1 c1nc(no1)[*:1] O=C(NC[C@@H](CCO)c1ccccc1)Nc1cccc(c1)[*:1]
O=C(NC[C@@H](CCO)c1ccccc1)Nc1cccc(-c2ncon2)c1 OCC[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])Nc1cccc(c1)-c1ncon1
O=C(NC[C@@H](CCO)c1ccccc1)Nc1cccc(-c2ncon2)c1 c1ccc(cc1)[*:1] O=C(NC[C@@H](CCO)[*:1])Nc1cccc(c1)-c1ncon1
C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cnc(N3CCOCC3)nc2)C1 C1CN(CCO1)[*:1] C[NH+](C)C[C@]1(O)CCCN(C1)C(=O)c1cnc(nc1)[*:1]
Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccnc2)n1 c1cncc(c1)[*:1] Cc1cccc(n1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccnc2)n1 Cc1cccc(n1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccnc2)N1[*:1]
O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCCc2cccc(F)c21 FC(F)(F)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCCc2cccc(F)c21
CCN1CC[NH+](C[C@H](C)CNC(=O)NC2(c3ccccc3)CCC2)CC1 c1ccc(cc1)[*:1] CCN1CC[NH+](CC1)C[C@H](C)CNC(=O)NC1(CCC1)[*:1]
c1cncc(C2=Nc3ncnn3[C@@H](c3cccs3)C2)c1 c1cncc(c1)[*:1] c1csc(c1)[C@H]1CC(=Nc2ncnn21)[*:1]
c1cncc(C2=Nc3ncnn3[C@@H](c3cccs3)C2)c1 c1csc(c1)[*:1] c1cncc(c1)C1C[C@H](n2ncnc2N=1)[*:1]
C[C@H](Cn1cccn1)OC(=O)COc1ccc(Cl)c(Cl)c1 c1cnn(c1)[*:1] C[C@H](C[*:1])OC(=O)COc1ccc(Cl)c(Cl)c1
C[C@H](Cn1cccn1)OC(=O)COc1ccc(Cl)c(Cl)c1 c1cnn(c1)C[*:1] C[C@H](OC(=O)COc1ccc(Cl)c(Cl)c1)[*:1]
C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1C(=O)c2ccccc2C1=O FC(F)(F)O[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])N1C(=O)c2ccccc2C1=O
C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1C(=O)c2ccccc2C1=O FC(F)(F)[*:1] C[C@H](C(=O)Nc1ccc(cc1)O[*:1])N1C(=O)c2ccccc2C1=O
CS(=O)(=O)c1ccc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(F)cc(F)cc3s2)cc1 Fc1cc(F)c2nc(sc2c1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N(CCC[NH+]1CCOCC1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(F)cc(F)cc3s2)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=C(N(CCC[NH+]1CCOCC1)c1nc2c(F)cc(F)cc2s1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(F)cc(F)cc3s2)cc1 CS(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(CCC[NH+]1CCOCC1)c1nc2c(F)cc(F)cc2s1
COc1ccc(C(=O)[C@H]2CCCN(c3ncnc4[nH]ccc34)C2)cc1OC c1nc(c2cc[nH]c2n1)[*:1] COc1ccc(cc1OC)C(=O)[C@H]1CCCN(C1)[*:1]
Cc1cc(Cl)ccc1OCC(=O)N1CC[NH+]=Cc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] Cc1cc(Cl)ccc1OCC(=O)N1CC[NH+]=Cc2cc(ccc21)[*:1]
Cc1cc(Cl)ccc1OCC(=O)N1CC[NH+]=Cc2cc([N+](=O)[O-])ccc21 Cc1cc(Cl)ccc1[*:1] O=C(CO[*:1])N1CC[NH+]=Cc2cc(ccc21)[N+](=O)[O-]
Cc1sc2nc(CCC(=O)N(C)CC(N)=O)[nH]c(=O)c2c1C NC(=O)C[*:1] Cc1sc2nc(CCC(=O)N(C)[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CCC(=O)N(C)CC(N)=O)[nH]c(=O)c2c1C NC(=O)[*:1] Cc1sc2nc(CCC(=O)N(C)C[*:1])[nH]c(=O)c2c1C
Cc1ccc(NC(=O)c2ccccc2C)c(Nc2ccco2)c1 c1coc(c1)N[*:1] Cc1ccc(NC(=O)c2ccccc2C)c(c1)[*:1]
Cc1ccc(NC(=O)c2ccccc2C)c(Nc2ccco2)c1 c1coc(c1)[*:1] Cc1ccc(NC(=O)c2ccccc2C)c(c1)N[*:1]
Cc1ccc(NC(=O)c2ccccc2C)c(Nc2ccco2)c1 Cc1ccccc1[*:1] Cc1ccc(NC(=O)[*:1])c(c1)Nc1ccco1
CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](OC)c2ccccc2)C12CCC2 CCO[*:1] CO[C@@H](CNC(=O)N[C@@H]1C[C@H](C12CCC2)[*:1])c1ccccc1
CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](OC)c2ccccc2)C12CCC2 c1ccc(cc1)[*:1] CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](OC)[*:1])C12CCC2
CC(C)[C@@H](C#N)N1CCN(C(=O)CCNC(=O)N(C)Cc2ccccc2)CC1 CC(C)[*:1] CN(Cc1ccccc1)C(=O)NCCC(=O)N1CCN(CC1)[C@H](C#N)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)CCNC(=O)N(C)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)CCNC(=O)N(C)C[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)CCNC(=O)N(C)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)CCNC(=O)N(C)[*:1]
COc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)c(OC)c1 Fc1ccccc1[*:1] COc1ccc(-c2csc(n2)NC(=O)C[*:1])c(c1)OC
COc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)c(OC)c1 Fc1ccccc1C[*:1] COc1ccc(-c2csc(n2)NC(=O)[*:1])c(c1)OC
COC(=O)Cc1csc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)n1 COC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])N1CCC[C@@H]1c1ccc(F)cc1
COC(=O)Cc1csc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] COC(=O)Cc1csc(n1)NC(=O)N1CCC[C@H]1[*:1]
COC(=O)Cc1csc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)n1 COC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])N1CCC[C@@H]1c1ccc(F)cc1
CCO[C@@H]1C[C@H](NC(=O)c2c(C)c(C)n[nH]c2=O)C1(CC)CC CCO[*:1] CCC1(CC)[C@H](C[C@H]1[*:1])NC(=O)c1c(C)c(C)n[nH]c1=O
O=C([O-])c1c(-c2ccc(Cl)cc2)noc1CO[C@@H]1CCCCO1 Clc1ccc(cc1)[*:1] O=C([O-])c1c(noc1CO[C@@H]1CCCCO1)[*:1]
O=C([O-])c1c(-c2ccc(Cl)cc2)noc1CO[C@@H]1CCCCO1 O=C([O-])[*:1] Clc1ccc(cc1)-c1noc(CO[C@@H]2CCCCO2)c1[*:1]
O=C([O-])c1c(-c2ccc(Cl)cc2)noc1CO[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] O=C([O-])c1c(noc1CO[*:1])-c1ccc(Cl)cc1
O=C([O-])c1c(-c2ccc(Cl)cc2)noc1CO[C@@H]1CCCCO1 C1CC[C@H](OC1)O[*:1] O=C([O-])c1c(noc1C[*:1])-c1ccc(Cl)cc1
O=C(NCCn1ncccc1=O)c1cc(C2CC2)on1 C1CC1[*:1] O=C(NCCn1ncccc1=O)c1cc(on1)[*:1]
CCOc1ccccc1Nc1nc(Br)cs1 CCO[*:1] Brc1csc(n1)Nc1ccccc1[*:1]
O=C(NC[C@@]1(O)CCSC1)c1cccn1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@]1(O)CCSC1)c1cccn1CC[*:1]
O=C(NC[C@@]1(O)CCSC1)c1cccn1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NC[C@@]1(O)CCSC1)c1cccn1C[*:1]
C#CCNCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 C#CCNC[*:1] NS(=O)(=O)NC[C@H]1CCCN(C1)C(=O)[*:1]
C#CCNCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 NS(=O)(=O)NC[*:1] C#CCNCC(=O)N1CCC[C@H](C1)[*:1]
C#CCNCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 C#CCN[*:1] NS(=O)(=O)NC[C@H]1CCCN(C1)C(=O)C[*:1]
C#CCNCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 NS(=O)(=O)N[*:1] C#CCNCC(=O)N1CCC[C@@H](C1)C[*:1]
C#CCNCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 C#CC[*:1] NS(=O)(=O)NC[C@H]1CCCN(C1)C(=O)CN[*:1]
O[C@H](c1cnccn1)[C@@H]1CCOC2(CCOCC2)C1 c1cnc(cn1)[*:1] O[C@H]([C@@H]1CCOC2(CCOCC2)C1)[*:1]
CCC(C)(C)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC(C)(C)N(C)C(=O)/C=C/c1cccc(c1)[*:1]
CCC(C)(C)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 CCC(C)(C)[*:1] CN(C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])[*:1]
COc1ccc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2CCO)cc1OC OCC[*:1] COc1ccc(cc1OC)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1cc(Cl)ccc1O
COc1ccc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2CCO)cc1OC COc1ccc(cc1OC)[*:1] O=C1c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H](N1CCO)[*:1]
COc1ccc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2CCO)cc1OC Oc1ccc(Cl)cc1[*:1] COc1ccc(cc1OC)[C@H]1c2c(n[nH]c2C(=O)N1CCO)[*:1]
CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(=O)N1N=C(C[C@H]1[*:1])c1ccc2OCOc2c1
CC(C)[C@@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
CC(C)[C@@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccccn1 Fc1ccc(cc1)C[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)O[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccccn1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)OC[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccccn1 Fc1ccc(cc1)CO[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccccn1 CC(C)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(c1ccc(F)cc1)N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1 Fc1ccc(cc1)[*:1] O=C(N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1)[*:1]
Cc1ccc(-c2cc(C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)[nH]n2)o1 Cc1ccc(o1)[*:1] O=C(N[C@H]1CC(=O)N(C1)c1ccccc1)c1cc(n[nH]1)[*:1]
Cc1ccc(-c2cc(C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)[nH]n2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)-c1cc([nH]n1)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
CNC(=O)NC(=O)[C@H](C)Oc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CNC(=O)NC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
COc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc12 C1CO[C@@H](C1)C[*:1] COc1ccc(C)c2sc(nc12)N(C(=O)[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
COc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc12 C1CO[C@@H](C1)[*:1] COc1ccc(C)c2sc(nc12)N(C[*:1])C(=O)[C@H]1CCCN(C1)S(C)(=O)=O
C[C@](NC(=O)Cc1csc(N)n1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](NC(=O)Cc1csc(N)n1)(C(=O)[O-])[*:1]
C[C@](NC(=O)Cc1csc(N)n1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@](NC(=O)Cc1csc(N)n1)(C(F)(F)F)[*:1]
C[C@](NC(=O)Cc1csc(N)n1)(C(=O)[O-])C(F)(F)F Nc1nc(cs1)[*:1] C[C@](NC(=O)C[*:1])(C(=O)[O-])C(F)(F)F
Cc1nc2ccc(N(C)C(=O)[C@H]3C[C@H]3c3ccc(F)cc3F)cc2s1 Fc1ccc(c(F)c1)[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)[C@H]1C[C@@H]1[*:1]
C[C@@H]1CN(C(=O)CSCC(F)(F)F)[C@H]1c1ccccc1 FC(F)(F)[*:1] C[C@@H]1CN(C(=O)CSC[*:1])[C@H]1c1ccccc1
C[C@@H]1CN(C(=O)CSCC(F)(F)F)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)CSCC(F)(F)F)[C@@H]1[*:1]
C[C@@H]1CN(C(=O)CSCC(F)(F)F)[C@H]1c1ccccc1 FC(F)(F)C[*:1] C[C@@H]1CN(C(=O)CS[*:1])[C@H]1c1ccccc1
C[C@@H]1CN(C(=O)CSCC(F)(F)F)[C@H]1c1ccccc1 FC(F)(F)CS[*:1] C[C@@H]1CN(C(=O)C[*:1])[C@H]1c1ccccc1
Cc1ccc(-c2noc(CN(C)C(=O)c3cc(C)ccc3C)n2)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)-c1noc(CN(C)C(=O)[*:1])n1
Cc1ccc(-c2noc(CN(C)C(=O)c3cc(C)ccc3C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C(=O)N(C)Cc1nc(no1)[*:1]
CN(C)c1cccc(C(=O)NC[C@@]2(O)CCc3ccccc3C2)c1 CN(C)[*:1] O=C(NC[C@@]1(O)CCc2ccccc2C1)c1cccc(c1)[*:1]
CCc1ccc(OCc2nc(C)c(C(=O)Nc3nnc(C4CC4)s3)s2)cc1 CCc1ccc(cc1)[*:1] Cc1nc(CO[*:1])sc1C(=O)Nc1nnc(s1)C1CC1
CCc1ccc(OCc2nc(C)c(C(=O)Nc3nnc(C4CC4)s3)s2)cc1 C1CC1c1nnc(s1)[*:1] CCc1ccc(cc1)OCc1nc(C)c(s1)C(=O)N[*:1]
CCc1ccc(OCc2nc(C)c(C(=O)Nc3nnc(C4CC4)s3)s2)cc1 CCc1ccc(cc1)O[*:1] Cc1nc(C[*:1])sc1C(=O)Nc1nnc(s1)C1CC1
CCc1ccc(OCc2nc(C)c(C(=O)Nc3nnc(C4CC4)s3)s2)cc1 C1CC1[*:1] CCc1ccc(cc1)OCc1nc(C)c(s1)C(=O)Nc1nnc(s1)[*:1]
CC[C@@H](C)NC(=O)Nc1cccc(I)c1 CC[C@@H](C)[*:1] O=C(Nc1cccc(I)c1)N[*:1]
CC(=O)NCCCSCC(=O)c1c[nH]c2ccccc12 CC(=O)NCC[*:1] O=C(CSC[*:1])c1c[nH]c2ccccc12
CC(=O)NCCCSCC(=O)c1c[nH]c2ccccc12 CC(=O)N[*:1] O=C(CSCCC[*:1])c1c[nH]c2ccccc12
CC(=O)NCCCSCC(=O)c1c[nH]c2ccccc12 CC(=O)NC[*:1] O=C(CSCC[*:1])c1c[nH]c2ccccc12
CCCN1C(=O)CCc2cc(NC(=O)CCc3ccc(F)cc3)ccc21 CCC[*:1] O=C(CCc1ccc(F)cc1)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NC(=O)CCc3ccc(F)cc3)ccc21 Fc1ccc(cc1)C[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)C[*:1]
CCCN1C(=O)CCc2cc(NC(=O)CCc3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)CC[*:1]
O=S(=O)(NCc1cccnc1-n1cccn1)c1cccs1 c1cnn(c1)[*:1] O=S(=O)(NCc1cccnc1[*:1])c1cccs1
O=S(=O)(NCc1cccnc1-n1cccn1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(NCc1cccnc1-n1cccn1)[*:1]
CS(=O)(=O)Nc1ccccc1C(=O)NCCC12CC3CC(CC(C3)C1)C2 CS(=O)(=O)N[*:1] O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccccc1[*:1]
O=C(NCCc1ccco1)c1cc(C2CC2)[nH]n1 c1coc(c1)C[*:1] O=C(NC[*:1])c1cc([nH]n1)C1CC1
O=C(NCCc1ccco1)c1cc(C2CC2)[nH]n1 c1coc(c1)[*:1] O=C(NCC[*:1])c1cc([nH]n1)C1CC1
O=C(NCCc1ccco1)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(NCCc1ccco1)c1cc([nH]n1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CN(C[C@@H]2CCCO2)c2nc3ccccc3nc21 Clc1ccc(cc1)[*:1] O=S(=O)(N1CN(C[C@@H]2CCCO2)c2nc3ccccc3nc21)[*:1]
CCn1c(=O)n(C[C@@H](O)COc2ccc(Br)cc2)c2ccccc21 Brc1ccc(cc1)O[*:1] CCn1c(=O)n(C[C@@H](O)C[*:1])c2ccccc21
CCn1c(=O)n(C[C@@H](O)COc2ccc(Br)cc2)c2ccccc21 Brc1ccc(cc1)[*:1] CCn1c(=O)n(C[C@@H](O)CO[*:1])c2ccccc21
Cn1cc(CCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1 Cn1cc(cn1)[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCC[*:1]
Cn1cc(CCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1 Cn1cc(cn1)C[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
Cn1cc(CCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1 CS(=O)(=O)[*:1] Cn1cc(cn1)CCNS(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1sc(-c2ccccc2)cc1C#N C1CC[C@H](CO[*:1])OC1 C[C@@H](C(=O)Nc1sc(cc1C#N)-c1ccccc1)[*:1]
C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1sc(-c2ccccc2)cc1C#N c1ccc(cc1)[*:1] C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1sc(cc1C#N)[*:1]
C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1sc(-c2ccccc2)cc1C#N C1CC[C@@H](OC1)[*:1] C[C@@H](OC[*:1])C(=O)Nc1sc(cc1C#N)-c1ccccc1
C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1sc(-c2ccccc2)cc1C#N C1CC[C@H](C[*:1])OC1 C[C@@H](O[*:1])C(=O)Nc1sc(cc1C#N)-c1ccccc1
COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(/C=C(/NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1)C(=C[*:1])NC(=O)c1cccc(c1)[N+](=O)[O-]
COc1ccc(/C=C(/NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2)cc1 O=[N+]([O-])[*:1] COc1ccc(/C=C(/NC(=O)c2cccc(c2)[*:1])C(=O)Nc2ccccc2)cc1
COc1ccc(/C=C(/NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(/C=C(/NC(=O)[*:1])C(=O)Nc2ccccc2)cc1
COc1ccc(/C=C(/NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2)cc1 O=C(Nc1ccccc1)[*:1] COc1ccc(/C=C(/NC(=O)c2cccc(c2)[N+](=O)[O-])[*:1])cc1
COc1ccc(/C=C(/NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(/C=C(/NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)N[*:1])cc1
N#C[C@H](NC(=O)[C@@H]1CCCS1)c1ccc(Cl)cc1 C1CS[C@@H](C1)[*:1] N#C[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
C#CCOc1ccc(CC[NH2+][C@H](C)c2nc3ccccc3n2C)cc1 C#CCO[*:1] C[C@@H]([NH2+]CCc1ccc(cc1)[*:1])c1nc2ccccc2n1C
C#CCOc1ccc(CC[NH2+][C@H](C)c2nc3ccccc3n2C)cc1 C#CC[*:1] C[C@@H]([NH2+]CCc1ccc(cc1)O[*:1])c1nc2ccccc2n1C
COc1ccc(-n2ncc(C(=O)[O-])n2)nn1 O=C([O-])[*:1] COc1ccc(nn1)-n1ncc(n1)[*:1]
COCCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nc2ccccc21 COC[*:1] O=C(CSc1nc2ccccc2n1C[*:1])N[C@@H]1CCCc2ccccc21
COCCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nc2ccccc21 COCC[*:1] O=C(CSc1nc2ccccc2n1[*:1])N[C@@H]1CCCc2ccccc21
COc1ccccc1C(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 c1ccc(C[*:1])nc1 COc1ccccc1C(=O)N1CCC(CC1)Cc1nn(C)cc1C(=O)N[*:1]
COc1ccccc1C(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 COc1ccccc1[*:1] Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(CC2)C(=O)[*:1])n1
COc1ccccc1C(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 c1ccc(nc1)[*:1] COc1ccccc1C(=O)N1CCC(CC1)Cc1nn(C)cc1C(=O)NC[*:1]
COc1ccccc1C(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 O=C(NCc1ccccn1)[*:1] COc1ccccc1C(=O)N1CCC(CC1)Cc1nn(C)cc1[*:1]
Cc1cn2c(CN(C)C(=O)c3cc(C(N)=O)c[nH]3)c(C)nc2s1 NC(=O)[*:1] Cc1cn2c(CN(C)C(=O)c3cc(c[nH]3)[*:1])c(C)nc2s1
COc1cccc([C@H](O)[C@@H](C)c2ccccn2)c1OC c1ccc(nc1)[*:1] COc1cccc(c1OC)[C@H](O)[C@@H](C)[*:1]
CCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1Cc1ccco1 Cc1ccc(cc1)[*:1] CCC(=O)Nc1c(c(C)c(C)n1Cc1ccco1)S(=O)(=O)[*:1]
CCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1Cc1ccco1 c1coc(c1)[*:1] CCC(=O)Nc1c(c(C)c(C)n1C[*:1])S(=O)(=O)c1ccc(C)cc1
CCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1Cc1ccco1 CCC(=O)N[*:1] Cc1ccc(cc1)S(=O)(=O)c1c(C)c(C)n(Cc2ccco2)c1[*:1]
CCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1Cc1ccco1 c1coc(c1)C[*:1] CCC(=O)Nc1c(c(C)c(C)n1[*:1])S(=O)(=O)c1ccc(C)cc1
CCn1c(=O)c(C)nc2cc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)ccc21 c1ncn(n1)[*:1] CCn1c(=O)c(C)nc2cc(ccc21)C(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
CC(C)CCC(=O)N1CCN(c2ccccc2O)CC1 CC(C)CC[*:1] O=C(N1CCN(CC1)c1ccccc1O)[*:1]
CC(C)CCC(=O)N1CCN(c2ccccc2O)CC1 CC(C)C[*:1] O=C(C[*:1])N1CCN(CC1)c1ccccc1O
CC(C)CCC(=O)N1CCN(c2ccccc2O)CC1 CC(C)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccccc1O
Cc1ccccc1-c1cccc(CN2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)c1 C1CN(CCO1)C[*:1] Cc1ccccc1-c1cccc(c1)CN1C[C@@H]([C@@H](CO)C1)[*:1]
Cc1ccccc1-c1cccc(CN2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)c1 C1CN(CCO1)[*:1] Cc1ccccc1-c1cccc(c1)CN1C[C@@H](C[*:1])[C@@H](CO)C1
Cc1ccccc1-c1cccc(CN2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)c1 Cc1ccccc1[*:1] OC[C@H]1CN(Cc2cccc(c2)[*:1])C[C@H]1CN1CCOCC1
O=C(CCCn1ccnn1)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 c1cn(C[*:1])nn1 O=C(CC[*:1])Nc1ccc(cc1)O[C@@H]1CCCC[C@H]1O
O=C(CCCn1ccnn1)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 c1cn(nn1)[*:1] O=C(CCC[*:1])Nc1ccc(cc1)O[C@@H]1CCCC[C@H]1O
O=C(CCCn1ccnn1)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 c1cn(CCC[*:1])nn1 O=C(Nc1ccc(cc1)O[C@@H]1CCCC[C@H]1O)[*:1]
O=C(CCCn1ccnn1)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 c1cn(CC[*:1])nn1 O=C(C[*:1])Nc1ccc(cc1)O[C@@H]1CCCC[C@H]1O
Cn1nc(COc2ccccc2)c2c1CCN(C(=O)NC[C@H]1CCCO1)C2 c1ccc(cc1)O[*:1] Cn1nc(C[*:1])c2CN(CCc21)C(=O)NC[C@H]1CCCO1
Cn1nc(COc2ccccc2)c2c1CCN(C(=O)NC[C@H]1CCCO1)C2 c1ccc(cc1)OC[*:1] Cn1nc(c2CN(CCc21)C(=O)NC[C@H]1CCCO1)[*:1]
Cn1nc(COc2ccccc2)c2c1CCN(C(=O)NC[C@H]1CCCO1)C2 c1ccc(cc1)[*:1] Cn1nc(CO[*:1])c2CN(CCc21)C(=O)NC[C@H]1CCCO1
COc1ccc(OC)c(/C=C/C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 COc1ccc(OC)c(c1)[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)C=C[*:1]
COc1ccc(OC)c(/C=C/C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 CC(=O)N[*:1] COc1ccc(OC)c(/C=C/C(=O)Nc2nc(cs2)-c2ccc(cc2)[*:1])c1
COc1ccc(OC)c(/C=C/C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 CC(=O)Nc1ccc(cc1)[*:1] COc1ccc(OC)c(/C=C/C(=O)Nc2nc(cs2)[*:1])c1
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)/C=C/c1cccc(Br)c1 O=C([O-])[*:1] C[C@@H]1[C@H](CCN1C(=O)/C=C/c1cccc(Br)c1)[*:1]
CCOC(=O)c1c(SCC(=O)N2CCc3ccccc32)nc(=O)[nH]c1C CCOC(=O)[*:1] Cc1[nH]c(=O)nc(SCC(=O)N2CCc3ccccc32)c1[*:1]
Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1ccc(-c2ncn[nH]2)cc1 C1CC1[*:1] Cc1cnn(c1NC(=O)c1ccc(cc1)-c1ncn[nH]1)[C@H](C)[*:1]
Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1ccc(-c2ncn[nH]2)cc1 c1n[nH]c(n1)[*:1] Cc1cnn(c1NC(=O)c1ccc(cc1)[*:1])[C@H](C)C1CC1
C#CCn1/c(=N\C(=O)c2ccccc2[N+](=O)[O-])sc2cc(S(C)(=O)=O)ccc21 C#CC[*:1] CS(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccccc1[N+](=O)[O-])n2[*:1]
C#CCn1/c(=N\C(=O)c2ccccc2[N+](=O)[O-])sc2cc(S(C)(=O)=O)ccc21 O=[N+]([O-])[*:1] C#CCn1/c(=N\C(=O)c2ccccc2[*:1])sc2cc(ccc21)S(C)(=O)=O
C#CCn1/c(=N\C(=O)c2ccccc2[N+](=O)[O-])sc2cc(S(C)(=O)=O)ccc21 O=[N+]([O-])c1ccccc1[*:1] C#CCn1/c(=N\C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
C#CCn1/c(=N\C(=O)c2ccccc2[N+](=O)[O-])sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] C#CCn1/c(=N\C(=O)c2ccccc2[N+](=O)[O-])sc2cc(ccc21)[*:1]
CC1(C)COCCN1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])C[*:1] CC1(C)COCCN1C(=O)N1CCO[C@@H](C1)[*:1]
CC1(C)COCCN1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])[*:1] CC1(C)COCCN1C(=O)N1CCO[C@H](C1)C[*:1]
CCOC(=O)C1(C(C)C)CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CCOC(=O)C1(CCN(CC1)C(=O)O[*:1])C(C)C
CCOC(=O)C1(C(C)C)CCN(C(=O)OC(C)(C)C)CC1 CCOC(=O)[*:1] CC(C)C1(CCN(CC1)C(=O)OC(C)(C)C)[*:1]
CCOC(=O)C1(C(C)C)CCN(C(=O)OC(C)(C)C)CC1 CC(C)[*:1] CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)[*:1]
COC[C@@H](C)O[C@H]1CCC[C@H]([NH3+])C1 COC[*:1] C[C@@H](O[C@H]1CCC[C@H]([NH3+])C1)[*:1]
CC(C)C(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(C)[*:1] O=C(NCCNC(=O)[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CC(C)C(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(C)C(=O)N[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CC(C)C(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(C)C(=O)NCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CC(C)C(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(C)C(=O)NCCNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)C(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(C)C(=O)NC[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CSc1ccc(-c2noc(CN3C(=O)COc4cc(Cl)ccc43)n2)cc1 CSc1ccc(cc1)[*:1] O=C1COc2cc(Cl)ccc2N1Cc1nc(no1)[*:1]
O=C([O-])c1cccn1CC(=O)N1CC[C@H]2CCCC[C@H]2C1 O=C([O-])[*:1] O=C(Cn1cccc1[*:1])N1CC[C@H]2CCCC[C@H]2C1
COC[C@](C)(NC(=O)c1ccc2ccccc2c1)C(=O)OC COC[*:1] COC(=O)[C@](C)(NC(=O)c1ccc2ccccc2c1)[*:1]
COC[C@](C)(NC(=O)c1ccc2ccccc2c1)C(=O)OC COC(=O)[*:1] COC[C@](C)(NC(=O)c1ccc2ccccc2c1)[*:1]
Cc1cscc1CNS(=O)(=O)c1ccccc1C#CCO OCC#C[*:1] Cc1cscc1CNS(=O)(=O)c1ccccc1[*:1]
Cc1cscc1CNS(=O)(=O)c1ccccc1C#CCO Cc1cscc1[*:1] O=S(=O)(NC[*:1])c1ccccc1C#CCO
Cc1cscc1CNS(=O)(=O)c1ccccc1C#CCO Cc1cscc1C[*:1] O=S(=O)(N[*:1])c1ccccc1C#CCO
C=CCN(CC=C)C[C@@H](O)C[NH3+] C=CC[*:1] C=CCN(C[C@@H](O)C[NH3+])[*:1]
CC(C)(C)c1ccccc1O[C@@H]1O[C@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H](O)[C@@H]1O CC(C)(C)[*:1] O[C@@H]1[C@H](Oc2ccccc2[*:1])O[C@H]2CO[C@@H](O[C@@H]2[C@H]1O)c1ccco1
CC(C)(C)c1ccccc1O[C@@H]1O[C@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H](O)[C@@H]1O c1coc(c1)[*:1] CC(C)(C)c1ccccc1O[C@@H]1O[C@H]2CO[C@H](O[C@@H]2[C@@H](O)[C@@H]1O)[*:1]
CCOc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 CCO[*:1] Fc1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1nc(no1)[*:1]
Cc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cn1 Cc1ccc(cn1)[*:1] O=C(Oc1ccc(C=NNC(=O)[*:1])cc1)c1cccs1
Cc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cn1 O=C(O[*:1])c1cccs1 Cc1ccc(cn1)C(=O)NN=Cc1ccc(cc1)[*:1]
Cc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cn1 c1csc(c1)[*:1] Cc1ccc(cn1)C(=O)NN=Cc1ccc(cc1)OC(=O)[*:1]
O=C(c1ccc(Br)cc1)N1CCC(Oc2cnc3ccccc3n2)CC1 Brc1ccc(cc1)[*:1] O=C(N1CCC(CC1)Oc1cnc2ccccc2n1)[*:1]
C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)Cc1nc(-c2cccs2)no1 c1csc(c1)[*:1] C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)Cc1nc(no1)[*:1]
C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)Cc1nc(-c2cccs2)no1 c1csc(c1)C[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1nc(no1)-c1cccs1
C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)Cc1nc(-c2cccs2)no1 c1csc(c1)[*:1] C[C@@H](C(=O)NC[*:1])S(=O)(=O)Cc1nc(no1)-c1cccs1
CCc1nnc([C@@H](C)SCc2ccc(OC(C)C)cc2)o1 CC(C)[*:1] CCc1nnc(o1)[C@@H](C)SCc1ccc(cc1)O[*:1]
CCc1nnc([C@@H](C)SCc2ccc(OC(C)C)cc2)o1 CC(C)O[*:1] CCc1nnc(o1)[C@@H](C)SCc1ccc(cc1)[*:1]
CCc1nnc([C@@H](C)SCc2ccc(OC(C)C)cc2)o1 CCc1nnc(o1)[*:1] CC(C)Oc1ccc(cc1)CS[C@H](C)[*:1]
C[C@@H](CCCO)NC(=O)[C@@H](C[NH3+])c1ccccc1 C[C@@H](CCCO)[*:1] [NH3+]C[C@H](C(=O)N[*:1])c1ccccc1
C[C@@H](CCCO)NC(=O)[C@@H](C[NH3+])c1ccccc1 OCCC[*:1] C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)[*:1]
C[C@@H](CCCO)NC(=O)[C@@H](C[NH3+])c1ccccc1 OCC[*:1] C[C@@H](C[*:1])NC(=O)[C@@H](C[NH3+])c1ccccc1
C[C@@H](CCCO)NC(=O)[C@@H](C[NH3+])c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CCCO)NC(=O)[C@@H](C[NH3+])[*:1]
Cc1csc([C@H](C#N)C(=O)Cn2c(=O)[nH]c3ccccc32)n1 Cc1csc(n1)[*:1] N#C[C@H](C(=O)Cn1c(=O)[nH]c2ccccc21)[*:1]
Cn1c(SCC(=O)NC2CC2)nnc1C(F)(F)F C1CC1[*:1] Cn1c(nnc1C(F)(F)F)SCC(=O)N[*:1]
Cn1c(SCC(=O)NC2CC2)nnc1C(F)(F)F O=C(NC1CC1)[*:1] Cn1c(nnc1C(F)(F)F)SC[*:1]
Cn1c(SCC(=O)NC2CC2)nnc1C(F)(F)F FC(F)(F)[*:1] Cn1c(nnc1[*:1])SCC(=O)NC1CC1
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccon2)cc1 c1cc(C[*:1])no1 COc1ccc(cc1)NC(=O)[C@H]1CCCN1C(=O)[*:1]
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccon2)cc1 c1cc(no1)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CCCN1C(=O)C[*:1]
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccon2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)Cc1ccon1
Cc1cc(SCc2nccn2C(F)F)ccc1N FC(F)[*:1] Cc1cc(ccc1N)SCc1nccn1[*:1]
CC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ccc(OC)c(c1)OC)[*:1]
NC(=O)C[C@@H](NC(=O)c1ccc(CO)cc1)C(=O)[O-] O=C([O-])[*:1] NC(=O)C[C@@H](NC(=O)c1ccc(cc1)CO)[*:1]
NC(=O)C[C@@H](NC(=O)c1ccc(CO)cc1)C(=O)[O-] NC(=O)C[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])c1ccc(cc1)CO
NC(=O)C[C@@H](NC(=O)c1ccc(CO)cc1)C(=O)[O-] NC(=O)[*:1] O=C(N[C@H](C[*:1])C(=O)[O-])c1ccc(cc1)CO
COc1ccc(C[C@H](C)CN(C)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)cc1 COc1ccc(cc1)[*:1] C[C@H](CN(C)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12)C[*:1]
[NH3+]NCc1ccc(Cl)nc1 [NH3+]NC[*:1] Clc1ccc(cn1)[*:1]
c1ccc2c(c1)SCCC[C@H]2[NH2+]CC1(N2CCCCC2)CCOCC1 C1CCN(CC1)[*:1] c1ccc2c(c1)SCCC[C@H]2[NH2+]CC1(CCOCC1)[*:1]
Cc1cc(N2CC[NH+](C)CC2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 Clc1ccc(cc1)[*:1] Cc1cc(N2CC[NH+](C)CC2)n2nc(c(C)c2n1)[*:1]
C[C@@H]1C(=O)O[C@@H]([C@@H]2CCC[C@H](CCC(=O)[O-])O2)[C@H]1O O=C([O-])C[*:1] C[C@@H]1C(=O)O[C@@H]([C@@H]2CCC[C@H](C[*:1])O2)[C@H]1O
C[C@@H]1C(=O)O[C@@H]([C@@H]2CCC[C@H](CCC(=O)[O-])O2)[C@H]1O O=C([O-])CC[*:1] C[C@@H]1C(=O)O[C@@H]([C@@H]2CCC[C@H](O2)[*:1])[C@H]1O
C[C@@H]1C(=O)O[C@@H]([C@@H]2CCC[C@H](CCC(=O)[O-])O2)[C@H]1O O=C([O-])[*:1] C[C@@H]1C(=O)O[C@@H]([C@@H]2CCC[C@H](CC[*:1])O2)[C@H]1O
CC(C)[C@H](NS(=O)(=O)CCC(=O)[O-])c1ccccc1 O=C([O-])C[*:1] CC(C)[C@H](NS(=O)(=O)C[*:1])c1ccccc1
CC(C)[C@H](NS(=O)(=O)CCC(=O)[O-])c1ccccc1 O=C([O-])[*:1] CC(C)[C@H](NS(=O)(=O)CC[*:1])c1ccccc1
CC(C)[C@H](NS(=O)(=O)CCC(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NS(=O)(=O)CCC(=O)[O-])[*:1]
CC(C)[C@H](NS(=O)(=O)CCC(=O)[O-])c1ccccc1 CC(C)[*:1] O=C([O-])CCS(=O)(=O)N[C@H](c1ccccc1)[*:1]
CCSc1cc(C)nc2c(-c3ccccc3)cnn12 CCS[*:1] Cc1cc(n2ncc(-c3ccccc3)c2n1)[*:1]
CCSc1cc(C)nc2c(-c3ccccc3)cnn12 c1ccc(cc1)[*:1] CCSc1cc(C)nc2c(cnn12)[*:1]
O=C(c1cccc(Cl)c1)N(CCS(=O)(=O)N1CCNCC1)C[C@@H]1CCCO1 Clc1cccc(c1)[*:1] O=C(N(CCS(=O)(=O)N1CCNCC1)C[C@@H]1CCCO1)[*:1]
O=C(c1cccc(Cl)c1)N(CCS(=O)(=O)N1CCNCC1)C[C@@H]1CCCO1 O=S(=O)(N1CCNCC1)[*:1] O=C(c1cccc(Cl)c1)N(CC[*:1])C[C@@H]1CCCO1
Cc1ccccc1NC(=O)CSc1ncnc2ccccc12 Cc1ccccc1[*:1] O=C(CSc1ncnc2ccccc12)N[*:1]
Cc1cc(C)c(NC(=O)CCCOc2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CCCO[*:1])c(C)c1
CC(=O)Nc1cc(NC(=O)N[C@@H](c2ccccc2C)C(C)(C)C)ccc1F CC(C)(C)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)N[C@@H](c1ccccc1C)[*:1]
CC(=O)Nc1cc(NC(=O)N[C@@H](c2ccccc2C)C(C)(C)C)ccc1F Cc1ccccc1[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)N[C@@H](C(C)(C)C)[*:1]
CC(=O)Nc1cc(NC(=O)N[C@@H](c2ccccc2C)C(C)(C)C)ccc1F CC(=O)N[*:1] Cc1ccccc1[C@H](NC(=O)Nc1ccc(F)c(c1)[*:1])C(C)(C)C
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(C)no2)c1 C#CC[*:1] Cc1noc(n1)NC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(C)no2)c1 Cc1noc(n1)[*:1] C#CCNS(=O)(=O)c1cccc(c1)C(=O)N[*:1]
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(C)no2)c1 C#CCNS(=O)(=O)[*:1] Cc1noc(n1)NC(=O)c1cccc(c1)[*:1]
O=C(NCc1coc(-c2ccccc2)n1)[C@H]1SCCc2sccc21 c1ccc(cc1)[*:1] O=C(NCc1coc(n1)[*:1])[C@H]1SCCc2sccc21
CCOC(=O)C1=C(C)Nc2nc(SCC)nn2[C@@H]1c1ccccc1C Cc1ccccc1[*:1] CCOC(=O)C1=C(C)Nc2nc(nn2[C@H]1[*:1])SCC
CCOC(=O)C1=C(C)Nc2nc(SCC)nn2[C@@H]1c1ccccc1C CCS[*:1] CCOC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1ccccc1C)[*:1]
CCOC(=O)C1=C(C)Nc2nc(SCC)nn2[C@@H]1c1ccccc1C CCOC(=O)[*:1] CCSc1nc2NC(C)=C([C@@H](c3ccccc3C)n2n1)[*:1]
O=S(=O)(/N=C(\[O-])C1(c2ccc(F)cc2)CCOCC1)C1CCCC1 C1CCC(C1)[*:1] O=S(=O)(/N=C(\[O-])C1(CCOCC1)c1ccc(F)cc1)[*:1]
O=S(=O)(/N=C(\[O-])C1(c2ccc(F)cc2)CCOCC1)C1CCCC1 Fc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])C1(CCOCC1)[*:1])C1CCCC1
CC(C)(C)C(=O)NNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CC(C)(C)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)NNC(=O)[*:1]
Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1cc(ccc1S(=O)(=O)NC[*:1])N1CCCCS1(=O)=O
Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1cc(ccc1S(=O)(=O)N[*:1])N1CCCCS1(=O)=O
Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)NC[C@H]1CCCO1 O=S1(=O)CCCCN1[*:1] Cc1cc(ccc1S(=O)(=O)NC[C@H]1CCCO1)[*:1]
O=S(=O)([N-]c1ccc(Oc2ccc(F)cc2)nc1)c1cccs1 c1csc(c1)[*:1] O=S(=O)([N-]c1ccc(nc1)Oc1ccc(F)cc1)[*:1]
O=S(=O)([N-]c1ccc(Oc2ccc(F)cc2)nc1)c1cccs1 Fc1ccc(cc1)[*:1] O=S(=O)([N-]c1ccc(nc1)O[*:1])c1cccs1
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[C@H]2CC[C@@H]1O2 FC(F)O[*:1] O=C(Nc1ccc(cc1[*:1])OC(F)F)[C@H]1C[C@H]2CC[C@@H]1O2
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[C@H]2CC[C@@H]1O2 FC(F)O[*:1] O=C(Nc1ccc(cc1OC(F)F)[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[C@H]2CC[C@@H]1O2 FC(F)[*:1] O=C(Nc1ccc(cc1OC(F)F)O[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)[C@H]1C[C@H]2CC[C@@H]1O2 FC(F)[*:1] O=C(Nc1ccc(cc1O[*:1])OC(F)F)[C@H]1C[C@H]2CC[C@@H]1O2
O=C(Nc1ccnn1Cc1cccs1)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1ccnn1Cc1cccs1)[*:1]
O=C(Nc1ccnn1Cc1cccs1)C1CCCC1 c1csc(c1)C[*:1] O=C(Nc1ccnn1[*:1])C1CCCC1
O=C(Nc1ccnn1Cc1cccs1)C1CCCC1 c1csc(c1)[*:1] O=C(Nc1ccnn1C[*:1])C1CCCC1
CCCCNC(=O)[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2Br)C1 CCCC[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)N1C[C@H](CC[C@H]1C)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2Br)C1 Cc1ccc(c(Br)c1)[*:1] CCCCNC(=O)[C@H]1CC[C@@H](C)N(C1)S(=O)(=O)[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2Br)C1 CCC[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)N1C[C@H](CC[C@H]1C)C(=O)NC[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2Br)C1 CCCCNC(=O)[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)N1C[C@H](CC[C@H]1C)[*:1]
O=C(C[C@@H](O)c1cccc(F)c1)N(Cc1ccc(O)cc1)Cc1ccco1 Fc1cccc(c1)[*:1] O=C(C[C@@H](O)[*:1])N(Cc1ccc(O)cc1)Cc1ccco1
O=C(C[C@@H](O)c1cccc(F)c1)N(Cc1ccc(O)cc1)Cc1ccco1 c1coc(c1)C[*:1] O=C(C[C@@H](O)c1cccc(F)c1)N(Cc1ccc(O)cc1)[*:1]
O=C(C[C@@H](O)c1cccc(F)c1)N(Cc1ccc(O)cc1)Cc1ccco1 Oc1ccc(cc1)[*:1] O=C(C[C@@H](O)c1cccc(F)c1)N(Cc1ccco1)C[*:1]
O=C(C[C@@H](O)c1cccc(F)c1)N(Cc1ccc(O)cc1)Cc1ccco1 Oc1ccc(cc1)C[*:1] O=C(C[C@@H](O)c1cccc(F)c1)N(Cc1ccco1)[*:1]
O=C(C[C@@H](O)c1cccc(F)c1)N(Cc1ccc(O)cc1)Cc1ccco1 c1coc(c1)[*:1] O=C(C[C@@H](O)c1cccc(F)c1)N(Cc1ccc(O)cc1)C[*:1]
C[C@H](OC(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccccn1 Clc1cccc(c1)[*:1] C[C@H](OC(=O)c1cnn(c1)[*:1])c1ccccn1
C[C@H](OC(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](OC(=O)c1cnn(c1)-c1cccc(Cl)c1)[*:1]
CC1=C(C(=O)[O-])[C@H](c2ccc(Cl)cc2)n2ncnc2N1 O=C([O-])[*:1] CC1Nc2ncnn2[C@H](C=1[*:1])c1ccc(Cl)cc1
CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 CC(C)[*:1] O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 Fc1cccc(c1)C[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1nnc(S[*:1])s1
CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 Fc1cccc(c1)[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1nnc(SC[*:1])s1
CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 CC(C)O[*:1] O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 Fc1cccc(c1)CS[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1nnc(s1)[*:1]
CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccccc1[*:1]
Cc1cc(N2CC[NH+](CC(=O)N[C@H]3CCCC[C@H]3C)CC2)nc(C(C)C)[nH+]1 C[C@@H]1CCCC[C@@H]1[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CC[NH+](CC1)CC(=O)N[*:1]
Cc1cc(N2CC[NH+](CC(=O)N[C@H]3CCCC[C@H]3C)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CC[NH+](CC1)CC(=O)N[C@H]1CCCC[C@H]1C
O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1ccc(cc1)COc1nn(cc1[*:1])Cc1ccccc1
O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCCCC1 c1ccc(cc1)C[*:1] O=C(c1cn(Cc2ccccc2)nc1O[*:1])N1CCCCC1
O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(c1cn(Cc2ccccc2)nc1OC[*:1])N1CCCCC1
O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCCCC1 c1ccc(cc1)C[*:1] O=C(c1cn(nc1OCc1ccccc1)[*:1])N1CCCCC1
O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCCCC1 c1ccc(cc1)CO[*:1] O=C(c1cn(Cc2ccccc2)nc1[*:1])N1CCCCC1
O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(c1cn(C[*:1])nc1OCc1ccccc1)N1CCCCC1
CCOc1cc(CNC(=O)c2nnn(-c3cccc(Cl)c3)c2C)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])CNC(=O)c1nnn(-c2cccc(Cl)c2)c1C
CCOc1cc(CNC(=O)c2nnn(-c3cccc(Cl)c3)c2C)ccc1OC Clc1cccc(c1)[*:1] CCOc1cc(ccc1OC)CNC(=O)c1nnn(c1C)[*:1]
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C2CC2)on1 C1CC1[*:1] CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(on1)[*:1]
COCc1[nH]nc2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 COC[*:1] N#CC1=C(N)Oc2n[nH]c(c2[C@@H]1c1c(F)cccc1Cl)[*:1]
Cc1cccc(N2CCN(c3nc4ccc(C)cc4n4cnnc34)C[C@@H]2C)c1 Cc1cccc(c1)[*:1] Cc1ccc2nc(c3nncn3c2c1)N1CCN([C@@H](C)C1)[*:1]
CC1CCN(C(=O)CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 Clc1cccc(Cl)c1[*:1] CC1CCN(CC1)C(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
CC1CCN(C(=O)CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 CC1CCN(CC1)C(=O)[*:1] O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(CC1)C[*:1]
CCC[C@@H](C)C[C@H](C(=O)[O-])c1ccccc1C CCC[C@@H](C)[*:1] Cc1ccccc1[C@H](C[*:1])C(=O)[O-]
CCC[C@@H](C)C[C@H](C(=O)[O-])c1ccccc1C CCC[*:1] Cc1ccccc1[C@H](C[C@H](C)[*:1])C(=O)[O-]
CCC[C@@H](C)C[C@H](C(=O)[O-])c1ccccc1C O=C([O-])[*:1] CCC[C@@H](C)C[C@H](c1ccccc1C)[*:1]
CC[C@@H](C)NC(=O)CNc1cccc(C(C)=O)c1 CC(=O)[*:1] CC[C@@H](C)NC(=O)CNc1cccc(c1)[*:1]
CC[C@@H](C)NC(=O)CNc1cccc(C(C)=O)c1 CC[C@@H](C)[*:1] CC(=O)c1cccc(c1)NCC(=O)N[*:1]
Cc1nn([C@H]2CCC[C@](CO)([NH2+]C3CC3)C2)c(C)c1Cl C1CC1[*:1] Cc1nn(c(C)c1Cl)[C@H]1CCC[C@@](CO)(C1)[NH2+][*:1]
O=C(Cc1noc2ccccc12)Nc1ccc2cc([N+](=O)[O-])ccc2n1 O=[N+]([O-])[*:1] O=C(Cc1noc2ccccc12)Nc1ccc2cc(ccc2n1)[*:1]
CC(/C=N/NC(=O)COc1cccc(C(F)(F)F)c1)=C\c1ccccc1 c1ccc(cc1)[*:1] CC(/C=N/NC(=O)COc1cccc(c1)C(F)(F)F)=C[*:1]
CC(/C=N/NC(=O)COc1cccc(C(F)(F)F)c1)=C\c1ccccc1 FC(F)(F)[*:1] CC(/C=N/NC(=O)COc1cccc(c1)[*:1])=C\c1ccccc1
O=C(Cc1csc(-c2cccs2)n1)N1CCC[C@H](O)C1 c1csc(c1)[*:1] O=C(Cc1csc(n1)[*:1])N1CCC[C@H](O)C1
C[NH2+][C@@H](C(C)C)[C@H](CC(C)C)c1ccccc1 CC(C)C[*:1] C[NH2+][C@@H](C(C)C)[C@H](c1ccccc1)[*:1]
C[NH2+][C@@H](C(C)C)[C@H](CC(C)C)c1ccccc1 CC(C)[*:1] C[NH2+][C@@H](C(C)C)[C@H](C[*:1])c1ccccc1
C[NH2+][C@@H](C(C)C)[C@H](CC(C)C)c1ccccc1 CC(C)[*:1] C[NH2+][C@@H]([C@H](CC(C)C)c1ccccc1)[*:1]
CCc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 CCc1ccc(cc1)[*:1] O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N[*:1]
CCSC(=C(C#N)C#N)c1cc2c([nH]1)CCCC2 CCS[*:1] N#CC(C#N)=C(c1cc2CCCCc2[nH]1)[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)C(=O)Nc2c(F)cc(F)cc2F)o1 Cc1ccc(o1)[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1c(F)cc(F)cc1F)[*:1]
CC(C)[C@H](CNC(=O)C(=O)Nc1c(F)cccc1F)N1CC[NH+](C)CC1 Fc1cccc(F)c1[*:1] CC(C)[C@H](CNC(=O)C(=O)N[*:1])N1CC[NH+](C)CC1
CC(C)[C@H](CNC(=O)C(=O)Nc1c(F)cccc1F)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)C(=O)Nc1c(F)cccc1F)[*:1]
CSCC[C@@H]1NC(=S)N(c2ccc(F)c(C(F)(F)F)c2)C1=O FC(F)(F)[*:1] CSCC[C@@H]1NC(=S)N(C1=O)c1ccc(F)c(c1)[*:1]
CSCC[C@@H]1NC(=S)N(c2ccc(F)c(C(F)(F)F)c2)C1=O CSC[*:1] O=C1[C@H](C[*:1])NC(=S)N1c1ccc(F)c(c1)C(F)(F)F
CSCC[C@@H]1NC(=S)N(c2ccc(F)c(C(F)(F)F)c2)C1=O CSCC[*:1] O=C1[C@@H](NC(=S)N1c1ccc(F)c(c1)C(F)(F)F)[*:1]
CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(C)cc(C)c1 CC[C@H](C)[*:1] Cc1cc(C)cc(c1)C[NH2+]CCC(=O)N[*:1]
Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c1 Cc1cccc(c1)C[*:1] O=S(=O)(N1CCC[C@H]1c1ccc2OCOc2c1)[*:1]
Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c1 Cc1cccc(c1)[*:1] O=S(=O)(C[*:1])N1CCC[C@H]1c1ccc2OCOc2c1
CCC[C@@H](C)NC(=O)COc1ccc(CC)cc1 CCC[C@@H](C)[*:1] CCc1ccc(cc1)OCC(=O)N[*:1]
CCC[C@@H](C)NC(=O)COc1ccc(CC)cc1 CCC[*:1] CCc1ccc(cc1)OCC(=O)N[C@H](C)[*:1]
C[C@@H](O)CCNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 C[C@@H](O)[*:1] O=C(NCC[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
C[C@@H](O)CCNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 C[C@@H](O)C[*:1] O=C(NC[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
C[C@@H](O)CCNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 C[C@@H](O)CC[*:1] O=C(N[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
COc1ccc([C@H](C)NCCc2ccncc2C)cc1OC Cc1cnccc1[*:1] COc1ccc(cc1OC)[C@H](C)NCC[*:1]
C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)[*:1]
C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)[C@@H]1CCCO1 Fc1ccccc1[*:1] C[C@H](NC(=O)c1c[nH]nc1[*:1])[C@@H]1CCCO1
COC(=O)Nc1cccc(NC(=O)c2nc(C)n[nH]2)c1 COC(=O)N[*:1] Cc1n[nH]c(n1)C(=O)Nc1cccc(c1)[*:1]
COC(=O)Nc1cccc(NC(=O)c2nc(C)n[nH]2)c1 Cc1n[nH]c(n1)[*:1] COC(=O)Nc1cccc(c1)NC(=O)[*:1]
Cc1nc(NC[C@@H](C)Cn2cc[nH+]c2)nc(C)c1CC(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[*:1])NC[C@@H](C)Cn1cc[nH+]c1
Cc1nc(NC[C@@H](C)Cn2cc[nH+]c2)nc(C)c1CC(C)C CC(C)C[*:1] Cc1nc(nc(C)c1[*:1])NC[C@@H](C)Cn1cc[nH+]c1
CCN(CC)C(=O)Cn1nc(C)c2cnn(-c3ccccc3)c2c1=O CCN(CC)C(=O)C[*:1] Cc1nn(c(=O)c2c1cnn2-c1ccccc1)[*:1]
CCN(CC)C(=O)Cn1nc(C)c2cnn(-c3ccccc3)c2c1=O CCN(CC)C(=O)[*:1] Cc1nn(C[*:1])c(=O)c2c1cnn2-c1ccccc1
CCN(CC)C(=O)Cn1nc(C)c2cnn(-c3ccccc3)c2c1=O c1ccc(cc1)[*:1] CCN(CC)C(=O)Cn1nc(C)c2cnn(c2c1=O)[*:1]
COC(=O)c1scc(C#N)c1NN=C(C#N)C#N COC(=O)[*:1] N#CC(C#N)=NNc1c(C#N)csc1[*:1]
O=C(CN1CCOCC1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@H]1c1cccs1 C1CN(CCO1)C[*:1] O=C(N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@H]1c1cccs1)[*:1]
O=C(CN1CCOCC1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(CN1CCOCC1)N1N=C2C(=C[*:1])CCC[C@H]2[C@H]1c1cccs1
O=C(CN1CCOCC1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@H]1c1cccs1 C1CN(CCO1)[*:1] O=C(C[*:1])N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@H]1c1cccs1
O=C(CN1CCOCC1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(CN1CCOCC1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@@H]1[*:1]
CC1(C)C[C@]2(CCO1)C[NH+]=C(N)N2C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC1(C)C[C@]2(CCO1)C[NH+]=C(N)N2C[*:1]
CC1(C)C[C@]2(CCO1)C[NH+]=C(N)N2C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC1(C)C[C@]2(CCO1)C[NH+]=C(N)N2[*:1]
CSCC[C@H]1[NH+]=C(c2ccccc2)N(C2CC2)C1=[NH2+] CSC[*:1] [NH2+]=C1[C@@H](C[*:1])[NH+]=C(c2ccccc2)N1C1CC1
CSCC[C@H]1[NH+]=C(c2ccccc2)N(C2CC2)C1=[NH2+] CSCC[*:1] [NH2+]=C1[C@H]([NH+]=C(c2ccccc2)N1C1CC1)[*:1]
CSCC[C@H]1[NH+]=C(c2ccccc2)N(C2CC2)C1=[NH2+] C1CC1[*:1] CSCC[C@H]1[NH+]=C(c2ccccc2)N(C1=[NH2+])[*:1]
CSCC[C@H]1[NH+]=C(c2ccccc2)N(C2CC2)C1=[NH2+] c1ccc(cc1)[*:1] CSCC[C@H]1[NH+]=C(N(C1=[NH2+])C1CC1)[*:1]
CCn1c(CCNC(=O)c2ccccc2COC)n[nH]c1=S COC[*:1] CCn1c(CCNC(=O)c2ccccc2[*:1])n[nH]c1=S
CC1(C)CSC[C@@H](Nc2ccc(NC(=O)C3CC3)cc2)C1 C1CC1[*:1] CC1(C)CSC[C@H](C1)Nc1ccc(cc1)NC(=O)[*:1]
CC1(C)CSC[C@@H](Nc2ccc(NC(=O)C3CC3)cc2)C1 O=C(N[*:1])C1CC1 CC1(C)CSC[C@H](C1)Nc1ccc(cc1)[*:1]
CN(C)c1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] CN(C)c1ccc(cc1[*:1])C(=O)N1CCN(CC1)c1cccc[nH+]1
CN(C)c1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1S(=O)(=O)N(C)C CN(C)[*:1] CN(C)S(=O)(=O)c1cc(ccc1[*:1])C(=O)N1CCN(CC1)c1cccc[nH+]1
CN(CCCOc1cccc(Cl)c1)Cc1nc2c(oc3ccccc32)c(=O)[nH]1 Clc1cccc(c1)OC[*:1] CN(CC[*:1])Cc1nc2c(oc3ccccc32)c(=O)[nH]1
CN(CCCOc1cccc(Cl)c1)Cc1nc2c(oc3ccccc32)c(=O)[nH]1 Clc1cccc(c1)[*:1] CN(CCCO[*:1])Cc1nc2c(oc3ccccc32)c(=O)[nH]1
CN(CCCOc1cccc(Cl)c1)Cc1nc2c(oc3ccccc32)c(=O)[nH]1 Clc1cccc(c1)O[*:1] CN(CCC[*:1])Cc1nc2c(oc3ccccc32)c(=O)[nH]1
N#Cc1cccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 C1CC1[*:1] N#Cc1cccc(c1)S(=O)(=O)N1CC[NH+](CC1)C[*:1]
N#Cc1cccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 C1CC1C[*:1] N#Cc1cccc(c1)S(=O)(=O)N1CC[NH+](CC1)[*:1]
CCCCOC(=O)c1ccc(-n2ccc3c(cnc4nc(C5CCCCC5)nn43)c2=O)cc1 CCC[*:1] O=C(OC[*:1])c1ccc(cc1)-n1ccc2c(cnc3nc(nn32)C2CCCCC2)c1=O
CCCCOC(=O)c1ccc(-n2ccc3c(cnc4nc(C5CCCCC5)nn43)c2=O)cc1 C1CCC(CC1)[*:1] CCCCOC(=O)c1ccc(cc1)-n1ccc2c(cnc3nc(nn32)[*:1])c1=O
CCCCOC(=O)c1ccc(-n2ccc3c(cnc4nc(C5CCCCC5)nn43)c2=O)cc1 CCCC[*:1] O=C(O[*:1])c1ccc(cc1)-n1ccc2c(cnc3nc(nn32)C2CCCCC2)c1=O
CCCCOC(=O)c1ccc(-n2ccc3c(cnc4nc(C5CCCCC5)nn43)c2=O)cc1 CCCCOC(=O)[*:1] O=c1c2cnc3nc(nn3c2ccn1-c1ccc(cc1)[*:1])C1CCCCC1
CC(C)NC(=O)Cc1csc(SCC(=O)c2cccs2)n1 c1csc(c1)[*:1] CC(C)NC(=O)Cc1csc(n1)SCC(=O)[*:1]
CC(C)NC(=O)Cc1csc(SCC(=O)c2cccs2)n1 CC(C)NC(=O)[*:1] O=C(CSc1nc(cs1)C[*:1])c1cccs1
CC(C)NC(=O)Cc1csc(SCC(=O)c2cccs2)n1 O=C(c1cccs1)[*:1] CC(C)NC(=O)Cc1csc(n1)SC[*:1]
CC(C)NC(=O)Cc1csc(SCC(=O)c2cccs2)n1 CC(C)[*:1] O=C(Cc1csc(n1)SCC(=O)c1cccs1)N[*:1]
CC(C)NC(=O)Cc1csc(SCC(=O)c2cccs2)n1 CC(C)NC(=O)C[*:1] O=C(CSc1nc(cs1)[*:1])c1cccs1
COc1cc(C2=N/C(=C\c3ccc(C)o3)C(=O)O2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C1=N/C(=C\c2ccc(C)o2)C(=O)O1
COc1cc(C2=N/C(=C\c3ccc(C)o3)C(=O)O2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C1=N/C(=C\c2ccc(C)o2)C(=O)O1
COc1cc(C2=N/C(=C\c3ccc(C)o3)C(=O)O2)ccc1OC(F)F Cc1ccc(o1)[*:1] COc1cc(ccc1OC(F)F)C1=NC(=C[*:1])C(=O)O1
CC(C)[C@@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 CC(C)[*:1] [NH3+][C@@H](c1ccc2[nH]c(=O)oc2c1)[*:1]
CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(CN(C)S(=O)(=O)c2ccc(F)cc2)n1 CN(C)[*:1] CN(Cc1nc(cc(n1)[*:1])[C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(F)cc1
CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(CN(C)S(=O)(=O)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CN(C)c1cc(nc(CN(C)S(=O)(=O)[*:1])n1)[C@H]1CCC[NH2+]C1
CCC(=O)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCC(=O)NCCS(=O)(=O)N1CCN(CC1)C[*:1]
CCC(=O)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 CCC(=O)N[*:1] O=S(=O)(CC[*:1])N1CCN(CC1)Cc1ccccc1
CCC(=O)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCC(=O)NCCS(=O)(=O)N1CCN(CC1)[*:1]
CCC(=O)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 CCC(=O)NCC[*:1] O=S(=O)(N1CCN(CC1)Cc1ccccc1)[*:1]
CCC(=O)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 CCC(=O)NC[*:1] O=S(=O)(C[*:1])N1CCN(CC1)Cc1ccccc1
CCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=[NH+]\Cc1cccnc1 c1cncc(c1)C[*:1] CCCc1nn(-c2ccc(cc2)[N+](=O)[O-])c(O)c1C=[NH+][*:1]
CCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=[NH+]\Cc1cccnc1 c1cncc(c1)[*:1] CCCc1nn(-c2ccc(cc2)[N+](=O)[O-])c(O)c1/C=[NH+]\C[*:1]
CCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=[NH+]\Cc1cccnc1 O=[N+]([O-])c1ccc(cc1)[*:1] CCCc1nn(c(O)c1/C=[NH+]\Cc1cccnc1)[*:1]
CCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=[NH+]\Cc1cccnc1 CCC[*:1] O=[N+]([O-])c1ccc(cc1)-n1nc(c(/C=[NH+]\Cc2cccnc2)c1O)[*:1]
CCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=[NH+]\Cc1cccnc1 O=[N+]([O-])[*:1] CCCc1nn(-c2ccc(cc2)[*:1])c(O)c1/C=[NH+]\Cc1cccnc1
Cc1cc(C)cc([C@H](C)NC(=O)N2CCN(C(=O)c3ccncc3)CC2)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)c1ccncc1)[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)N2CCN(C(=O)c3ccncc3)CC2)c1 c1cc(ccn1)[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)N1CCN(CC1)C(=O)[*:1]
CCc1cc(OCC(=O)NCc2ccc(C)cc2)nc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCc1cc(nc(n1)[*:1])OCC(=O)NCc1ccc(C)cc1
CCc1cc(OCC(=O)NCc2ccc(C)cc2)nc(-c2ccc(F)cc2)n1 Cc1ccc(cc1)C[*:1] CCc1cc(nc(n1)-c1ccc(F)cc1)OCC(=O)N[*:1]
CCc1cc(OCC(=O)NCc2ccc(C)cc2)nc(-c2ccc(F)cc2)n1 Cc1ccc(cc1)[*:1] CCc1cc(nc(n1)-c1ccc(F)cc1)OCC(=O)NC[*:1]
[NH3+][C@@H](CCc1ccccc1)C[C@@H](O)c1ccccn1 c1ccc(nc1)[*:1] [NH3+][C@@H](CCc1ccccc1)C[C@@H](O)[*:1]
[NH3+][C@@H](CCc1ccccc1)C[C@@H](O)c1ccccn1 c1ccc(cc1)[*:1] [NH3+][C@@H](CC[*:1])C[C@@H](O)c1ccccn1
COc1ccccc1-c1n[nH]c(NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)n1 COc1ccccc1[*:1] O=C(Nc1nc(n[nH]1)[*:1])[C@H]1CCCN(C1)C(=O)c1ccoc1
COc1ccccc1-c1n[nH]c(NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)n1 c1cc(co1)[*:1] COc1ccccc1-c1n[nH]c(n1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 CC(C)[*:1] C[C@]1(NC(=O)N(CC(=O)c2ccc(cc2)C[*:1])C1=O)c1ccco1
CC(C)Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 CC(C)C[*:1] C[C@]1(NC(=O)N(CC(=O)c2ccc(cc2)[*:1])C1=O)c1ccco1
CC(C)Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 c1coc(c1)[*:1] CC(C)Cc1ccc(cc1)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1ccc2nc(NC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)sc2c1 CC(C)(C)[*:1] Cc1ccc2nc(NC(=O)[C@H]3CCCN3C(=O)O[*:1])sc2c1
Cc1nc(CC(=O)N2CCN(Cc3cscn3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cscn1
Cc1nc(CC(=O)N2CCN(Cc3cscn3)CC2)cs1 c1nc(cs1)C[*:1] Cc1nc(cs1)CC(=O)N1CCN(CC1)[*:1]
Cc1nc(CC(=O)N2CCN(Cc3cscn3)CC2)cs1 c1nc(cs1)[*:1] Cc1nc(cs1)CC(=O)N1CCN(CC1)C[*:1]
Cc1nc(CC(=O)N2CCN(Cc3cscn3)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(N1CCN(CC1)Cc1cscn1)[*:1]
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)n1cccn1 O=C([O-])[*:1] O=C([C@H]1CC=CC[C@H]1[*:1])n1cccn1
Cc1ccc(OCn2ccc(C(=O)N[C@@H](C)c3cn(C)nc3C)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)c1ccn(CO[*:1])n1
Cc1ccc(OCn2ccc(C(=O)N[C@@H](C)c3cn(C)nc3C)n2)c(C)c1 Cc1ccc(O[*:1])c(C)c1 Cc1nn(C)cc1[C@H](C)NC(=O)c1ccn(C[*:1])n1
Cc1ccc(OCn2ccc(C(=O)N[C@@H](C)c3cn(C)nc3C)n2)c(C)c1 Cc1nn(C)cc1[*:1] Cc1ccc(OCn2ccc(n2)C(=O)N[C@@H](C)[*:1])c(C)c1
Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@H]1[*:1]
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1 Cc1ccccc1[*:1] CN(C)c1ccc(/C=N/NC(=O)CSC[*:1])cc1Br
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1 CN(C)[*:1] Cc1ccccc1CSCC(=O)N/N=C/c1ccc(c(Br)c1)[*:1]
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1 Cc1ccccc1C[*:1] CN(C)c1ccc(/C=N/NC(=O)CS[*:1])cc1Br
C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(Oc4ccccc4)c3)c[nH+]2)CCO1 c1ccc(cc1)O[*:1] C[C@@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)c1cccc(c1)[*:1]
C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(Oc4ccccc4)c3)c[nH+]2)CCO1 c1ccc(cc1)[*:1] C[C@@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)c1cccc(c1)O[*:1]
CCc1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2OC)n(C)n1 COc1ccccc1[*:1] CCc1cc(NC(=O)C(=O)N2CCC[C@@H]2[*:1])n(C)n1
CCc1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2OC)n(C)n1 CCc1cc(n(C)n1)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)C(=O)N[*:1]
COc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc3ccccc3o2)cn1 COc1ccc(cn1)[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1cc2ccccc2o1
CC[C@@H]1c2ccccc2CCN1C(=O)CC1CN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC[C@@H]1c2ccccc2CCN1C(=O)CC1CN(C1)C(=O)O[*:1]
CCn1/c(=N/C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)sc2cc(F)ccc21 c1csc(c1)[*:1] CCn1/c(=N/C(=O)[C@H]2CCCN(C2)S(=O)(=O)[*:1])sc2cc(F)ccc21
O=C(c1ccccc1Cl)N1CCC[NH+](Cc2cnc3cnccn23)CC1 Clc1ccccc1[*:1] O=C(N1CCC[NH+](CC1)Cc1cnc2cnccn12)[*:1]
NS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 NS(=O)(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
NS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] NS(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCO[C@H](C1)[*:1]
O=C(C[NH+]1CCN(c2cccc[nH+]2)CC1)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(C[NH+]1CCN(CC1)c1cccc[nH+]1)N[*:1]
Cc1ccc(S(=O)(=O)N(C)CC(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)O/N=C(\N)[*:1]
Cc1ccc(S(=O)(=O)N(C)CC(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)O/N=C(\N)c1ccc(Cl)cc1)S(=O)(=O)[*:1]
CC[C@H](C)C[C@@H](CC)Nc1ccc(C)[nH+]c1C CC[C@H](C)[*:1] CC[C@H](C[*:1])Nc1ccc(C)[nH+]c1C
CC[C@H](C)C[C@@H](CC)Nc1ccc(C)[nH+]c1C CC[C@H](C)C[*:1] CC[C@@H](Nc1ccc(C)[nH+]c1C)[*:1]
O=C1CC(N=c2c3ccccc3[nH]c3ccccc23)=NN1c1ccccc1 c1ccc(cc1)[*:1] O=C1CC(=NN1[*:1])N=c1c2ccccc2[nH]c2ccccc12
Cc1cnc(C(=O)NCCSC(F)(F)F)cn1 FC(F)(F)[*:1] Cc1cnc(cn1)C(=O)NCCS[*:1]
Cc1cnc(C(=O)NCCSC(F)(F)F)cn1 FC(F)(F)S[*:1] Cc1cnc(cn1)C(=O)NCC[*:1]
Cc1csc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)c1cn(nc1-c1ccc(C)o1)[*:1]
Cc1csc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)n1 Cc1ccc(o1)[*:1] Cc1csc(n1)NC(=O)c1cn(nc1[*:1])-c1ccccc1
Cc1csc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)n1 Cc1csc(n1)[*:1] Cc1ccc(o1)-c1nn(cc1C(=O)N[*:1])-c1ccccc1
C[C@H](NC(=O)Cc1ccc[nH]1)c1ccc(-c2ccncc2)cc1 c1c[nH]c(c1)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccncc1
C[C@H](NC(=O)Cc1ccc[nH]1)c1ccc(-c2ccncc2)cc1 c1c[nH]c(c1)C[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-c1ccncc1
C[C@H](NC(=O)Cc1ccc[nH]1)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)Cc1ccc[nH]1)c1ccc(cc1)[*:1]
[NH3+]CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F [NH3+]CCN[*:1] O=[N+]([O-])c1ccc(c(c1)C(F)(F)F)[*:1]
[NH3+]CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F FC(F)(F)[*:1] [NH3+]CCNc1ccc(cc1[*:1])[N+](=O)[O-]
[NH3+]CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F O=[N+]([O-])[*:1] [NH3+]CCNc1ccc(cc1C(F)(F)F)[*:1]
COC(=O)c1cccc(CCNC(=O)Nc2cc(-c3nnco3)ccc2C)c1 c1nnc(o1)[*:1] COC(=O)c1cccc(c1)CCNC(=O)Nc1cc(ccc1C)[*:1]
COC(=O)c1cccc(CCNC(=O)Nc2cc(-c3nnco3)ccc2C)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)NCCc1cccc(c1)[*:1])-c1nnco1
N#Cc1c(F)cccc1N1CCN(Cc2c[nH]nc2-c2cccs2)CC1 c1csc(c1)[*:1] N#Cc1c(F)cccc1N1CCN(CC1)Cc1c[nH]nc1[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](n2cnc3ccccc32)C1 O=C([O-])[*:1] CC[NH2+][C@]1(CC[C@H](C1)n1cnc2ccccc21)[*:1]
Cc1c(-c2ccccc2)oc2c(C(=O)NCc3ccccc3)cccc2c1=O c1ccc(cc1)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)NC[*:1])-c1ccccc1
Cc1c(-c2ccccc2)oc2c(C(=O)NCc3ccccc3)cccc2c1=O c1ccc(cc1)C[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)N[*:1])-c1ccccc1
Cc1c(-c2ccccc2)oc2c(C(=O)NCc3ccccc3)cccc2c1=O c1ccc(cc1)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)NCc1ccccc1)[*:1]
CC(C)C(=O)N[C@H](C)c1nc(-c2ccccc2)no1 CC(C)[*:1] C[C@@H](NC(=O)[*:1])c1nc(no1)-c1ccccc1
CC(C)C(=O)N[C@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)C(=O)N[C@H](C)c1nc(no1)[*:1]
CC(C)C(=O)N[C@H](C)c1nc(-c2ccccc2)no1 CC(C)C(=O)N[*:1] C[C@H](c1nc(no1)-c1ccccc1)[*:1]
Cc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(NC(C)C)o1 Cc1ccccc1[*:1] CC(C)Nc1oc(nc1S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
Cc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(NC(C)C)o1 CC(C)N[*:1] Cc1ccccc1-c1nc(c(o1)[*:1])S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(NC(C)C)o1 CC(C)[*:1] Cc1ccccc1-c1nc(c(N[*:1])o1)S(=O)(=O)c1ccc2OCCOc2c1
Cc1cc(C(=O)N2CCCN(C(=O)c3ccc4c(c3)CCCC4=O)CC2)nn1C Cc1cc(nn1C)[*:1] O=C1CCCc2cc(ccc21)C(=O)N1CCCN(CC1)C(=O)[*:1]
O=C1CC[C@@]2(CCCN(c3cc(NCCO)ncn3)C2)CN1CC1CC1 C1CC1C[*:1] O=C1CC[C@@]2(CCCN(C2)c2cc(ncn2)NCCO)CN1[*:1]
O=C1CC[C@@]2(CCCN(c3cc(NCCO)ncn3)C2)CN1CC1CC1 OCCN[*:1] O=C1CC[C@@]2(CCCN(C2)c2cc(ncn2)[*:1])CN1CC1CC1
O=C1CC[C@@]2(CCCN(c3cc(NCCO)ncn3)C2)CN1CC1CC1 C1CC1[*:1] O=C1CC[C@@]2(CCCN(C2)c2cc(ncn2)NCCO)CN1C[*:1]
O=C1CC[C@@]2(CCCN(c3cc(NCCO)ncn3)C2)CN1CC1CC1 OCC[*:1] O=C1CC[C@@]2(CCCN(C2)c2cc(ncn2)N[*:1])CN1CC1CC1
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[*:1]
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 CS(=O)(=O)N[*:1] c1ccc(cc1)C[C@H]1CCCC[C@H]1[*:1]
C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(Cn3cncn3)cc2)[C@@H]1C c1ncn(n1)[*:1] C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(cc2)C[*:1])[C@@H]1C
C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(Cn3cncn3)cc2)[C@@H]1C c1ncn(C[*:1])n1 C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(cc2)[*:1])[C@@H]1C
COc1cc([C@H](C)NC(=O)NCC(F)(F)F)ccc1OC1CCCC1 C1CCC(C1)O[*:1] COc1cc(ccc1[*:1])[C@H](C)NC(=O)NCC(F)(F)F
COc1cc([C@H](C)NC(=O)NCC(F)(F)F)ccc1OC1CCCC1 FC(F)(F)[*:1] COc1cc(ccc1OC1CCCC1)[C@H](C)NC(=O)NC[*:1]
COc1cc([C@H](C)NC(=O)NCC(F)(F)F)ccc1OC1CCCC1 C1CCC(C1)[*:1] COc1cc(ccc1O[*:1])[C@H](C)NC(=O)NCC(F)(F)F
COc1cc([C@H](C)NC(=O)NCC(F)(F)F)ccc1OC1CCCC1 FC(F)(F)C[*:1] COc1cc(ccc1OC1CCCC1)[C@H](C)NC(=O)N[*:1]
CCc1nn(C)c(OC)c1CNC(=O)N1CCC[C@H](C(=O)NC)C1 CNC(=O)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N1CCC[C@H](C1)[*:1]
CCOc1ccc(NC(=O)N2C(=O)CSc3ccccc32)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOc1ccc(NC(=O)N2C(=O)CSc3ccccc32)c(c1)[*:1]
CCOc1ccc(NC(=O)N2C(=O)CSc3ccccc32)c([N+](=O)[O-])c1 CCO[*:1] O=C1CSc2ccccc2N1C(=O)Nc1ccc(cc1[N+](=O)[O-])[*:1]
CCc1ccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(C)cc4C)c(=O)n32)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)N[*:1]
CCc1ccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(C)cc4C)c(=O)n32)cc1 CCc1ccc(cc1)NC(=O)[*:1] Cc1ccc(c(C)c1)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3C[*:1]
CCc1ccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(C)cc4C)c(=O)n32)cc1 Cc1ccc(c(C)c1)[*:1] CCc1ccc(cc1)NC(=O)C[C@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
CNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)cc1 CNC(=O)[*:1] CC(C)c1cccc(c1)N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)cc1 CC(C)[*:1] CNC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
CNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)cc1 CC(C)c1cccc(c1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CO[C@H]1[C@@H](C)[C@@H](COS(=O)(=O)[O-])O[C@@H](OC)[C@H]1OC O=S(=O)([O-])OC[*:1] CO[C@H]1[C@@H](C)[C@@H](O[C@@H](OC)[C@H]1OC)[*:1]
CO[C@H]1[C@@H](C)[C@@H](COS(=O)(=O)[O-])O[C@@H](OC)[C@H]1OC O=S(=O)([O-])O[*:1] CO[C@H]1[C@@H](C)[C@@H](C[*:1])O[C@@H](OC)[C@H]1OC
Cc1ccc([C@@](O)(CC(=O)N2CCc3ccccc3[C@H]2C)C(F)(F)F)o1 Cc1ccc(o1)[*:1] C[C@@H]1c2ccccc2CCN1C(=O)C[C@](O)(C(F)(F)F)[*:1]
Cc1ccc([C@@](O)(CC(=O)N2CCc3ccccc3[C@H]2C)C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)N1CCc2ccccc2[C@H]1C)[*:1]
COC(=O)Nc1ccccc1OCc1cccc(C(=O)N(C)C)c1 COC(=O)N[*:1] CN(C)C(=O)c1cccc(c1)COc1ccccc1[*:1]
COC(=O)Nc1ccccc1OCc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] COC(=O)Nc1ccccc1OCc1cccc(c1)[*:1]
Cc1cc(OC[C@@H](O)C[NH2+]C2CCCC2)ccc1Cl C1CCC(C1)[*:1] Cc1cc(ccc1Cl)OC[C@@H](O)C[NH2+][*:1]
Cc1ccc(C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(C)c1 CS(=O)(=O)[*:1] Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C2)[*:1])c(C)c1
Cn1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cn1 Cn1cc(cn1)[*:1] O=C(N1CCC(CC1)c1nc2cc(Cl)ccc2s1)[*:1]
Cc1n[nH]c2cc(NC(=O)[C@H](C)C3CC3)ccc12 C[C@H](C1CC1)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[*:1]
Cc1n[nH]c2cc(NC(=O)[C@H](C)C3CC3)ccc12 C1CC1[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[C@H](C)[*:1]
Cc1nc(NCCn2cc([N+](=O)[O-])cn2)ccc1I O=[N+]([O-])[*:1] Cc1nc(ccc1I)NCCn1cc(cn1)[*:1]
CCCc1nc(CS(=O)(=O)Cc2ccc(C#N)cc2)cs1 CCC[*:1] N#Cc1ccc(cc1)CS(=O)(=O)Cc1csc(n1)[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2C)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2C)c(OC)c1 Cc1ccc(cc1)C(=O)[*:1] COc1ccc(c(c1)OC)[C@H]1C(=C([O-])C(=O)N1C)[*:1]
CN(C)C1=C(C(=O)c2ccccc2)N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc21 c1ccc(cc1)[*:1] CN(C)C1=C(C(=O)c2ccccc2)N(CC(=O)[*:1])S(=O)(=O)c2ccccc21
CN(C)C1=C(C(=O)c2ccccc2)N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc21 O=C(C[*:1])c1ccccc1 CN(C)C1=C(C(=O)c2ccccc2)N(S(=O)(=O)c2ccccc21)[*:1]
CN(C)C1=C(C(=O)c2ccccc2)N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc21 CN(C)[*:1] O=C(CN1C(C(=O)c2ccccc2)=C(c2ccccc2S1(=O)=O)[*:1])c1ccccc1
CN(C)C1=C(C(=O)c2ccccc2)N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc21 c1ccc(cc1)[*:1] CN(C)C1=C(C(=O)[*:1])N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc21
CN(C)C1=C(C(=O)c2ccccc2)N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc21 O=C(c1ccccc1)[*:1] CN(C)C1=C(C(=O)c2ccccc2)N(C[*:1])S(=O)(=O)c2ccccc21
CN(C)C1=C(C(=O)c2ccccc2)N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc21 O=C(c1ccccc1)[*:1] CN(C)C1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc21)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2COc3ccc(F)cc3C2)c1 CCC(=O)N[*:1] Cc1ccc(cc1NC(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc21 Clc1cccc(c1)C[*:1] CCCS(=O)(=O)N1CCCc2cc(ccc21)NS(=O)(=O)[*:1]
CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc21 Clc1cccc(c1)[*:1] CCCS(=O)(=O)N1CCCc2cc(ccc21)NS(=O)(=O)C[*:1]
CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc21 CCC[*:1] O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3F)CC2)cc1 CC(=O)Nc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(c(F)c1)N1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3F)CC2)cc1 CS(=O)(=O)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1F)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3F)CC2)cc1 CC(=O)N[*:1] CS(=O)(=O)c1ccc(c(F)c1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1nccnc1O[C@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1nccnc1O[C@H]1CCN(C1)C(=O)O[*:1]
O=C([O-])[C@@H]1CN(c2nc[nH+]c3c2CCC3)CCO1 O=C([O-])[*:1] c1nc(c2CCCc2[nH+]1)N1CCO[C@@H](C1)[*:1]
C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@H](NC(=O)Cc1cccc2ccccc12)[*:1]
CC1=C(C(=O)N(C)C)[C@@H](c2sc(C)nc2C)NC(=S)N1 CN(C)C(=O)[*:1] CC1NC(=S)N[C@@H](C=1[*:1])c1sc(C)nc1C
CSCC[C@@H]1O[C@@H](C)[C@@H](C)S1 CSC[*:1] C[C@@H]1O[C@@H](C[*:1])S[C@@H]1C
O=C(N[C@@H]1CC=CCC1)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)[*:1] O=C(N[C@@H]1CC=CCC1)c1cccc(c1)O[*:1]
O=C(N[C@@H]1CC=CCC1)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)O[*:1] O=C(N[C@@H]1CC=CCC1)c1cccc(c1)[*:1]
N#CCCN(c1ccccc1)c1ccc(CO)cc1 N#CC[*:1] OCc1ccc(cc1)N(C[*:1])c1ccccc1
N#CCCN(c1ccccc1)c1ccc(CO)cc1 c1ccc(cc1)[*:1] N#CCCN(c1ccc(cc1)CO)[*:1]
N#CCCN(c1ccccc1)c1ccc(CO)cc1 N#CCC[*:1] OCc1ccc(cc1)N(c1ccccc1)[*:1]
Cc1cc(F)cc(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1[N+](=O)[O-] NC(=O)[*:1] Cc1cc(F)cc(C(=O)N2CC[C@@H](c3ccccc32)[*:1])c1[N+](=O)[O-]
Cc1cc(F)cc(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(F)cc(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1[*:1]
O=C(Nc1ccccc1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(Nc1ccccc1)C(=O)N1CCN(CC1)C(=O)N[*:1]
O=C(Nc1ccccc1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)C(=O)NC1CCCCC1
CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3cc(C)ccn3)CC2=O)cc1 Cc1ccnc(c1)[*:1] CC(=O)Nc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3cc(C)ccn3)CC2=O)cc1 CC(=O)N[*:1] Cc1ccnc(c1)NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
Cc1cc(C)n2nc(CCCOC(=O)C=C3CCSCC3)nc2n1 C(=C1CCSCC1)[*:1] Cc1cc(C)n2nc(CCCOC(=O)[*:1])nc2n1
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)N[*:1]
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1
C[C@H]1CCN(C(=O)NCCCOCC(F)(F)F)C[C@@H]1O FC(F)(F)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NCCCOC[*:1]
C[C@H]1CCN(C(=O)NCCCOCC(F)(F)F)C[C@@H]1O FC(F)(F)C[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NCCCO[*:1]
C[C@H]1CCN(C(=O)NCCCOCC(F)(F)F)C[C@@H]1O FC(F)(F)CO[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NCCC[*:1]
CCc1nn(C)c(NC(=O)N2CCC[C@H](OC)C2)c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1nn(C)c(NC(=O)N2CCC[C@@H](C2)OC)c1[*:1]
COC[C@@H]1CN(CN2CCCCC2=O)CCO1 COC[*:1] O=C1CCCCN1CN1CCO[C@@H](C1)[*:1]
CN1CCN(C[C@H](C(N)=S)c2ccccc2)C(C)(C)C1=O c1ccc(cc1)[*:1] CN1CCN(C[C@H](C(N)=S)[*:1])C(C)(C)C1=O
CN1CCN(C[C@H](C(N)=S)c2ccccc2)C(C)(C)C1=O NC(=S)[*:1] CN1CCN(C[C@H](c2ccccc2)[*:1])C(C)(C)C1=O
O=C(c1sccc1-n1cnnn1)N1CCc2ccccc21 c1nnnn1[*:1] O=C(c1sccc1[*:1])N1CCc2ccccc21
CC(C)CCNC(=O)[C@@H](C)Br C[C@@H](Br)[*:1] CC(C)CCNC(=O)[*:1]
CC(C)CCNC(=O)[C@@H](C)Br CC(C)[*:1] C[C@@H](Br)C(=O)NCC[*:1]
C[C@H](CC1CCCCC1)/C([O-])=N/S(=O)(=O)c1ccc([N+](=O)[O-])nc1 C1CCC(CC1)[*:1] C[C@H](C[*:1])/C([O-])=N/S(=O)(=O)c1ccc(nc1)[N+](=O)[O-]
C[C@H](CC1CCCCC1)/C([O-])=N/S(=O)(=O)c1ccc([N+](=O)[O-])nc1 O=[N+]([O-])[*:1] C[C@H](CC1CCCCC1)/C([O-])=N/S(=O)(=O)c1ccc(nc1)[*:1]
C[C@H](CC1CCCCC1)/C([O-])=N/S(=O)(=O)c1ccc([N+](=O)[O-])nc1 C1CCC(CC1)C[*:1] C[C@H](/C([O-])=N/S(=O)(=O)c1ccc(nc1)[N+](=O)[O-])[*:1]
C=C(C)C[C@@H]([NH3+])c1ccccc1OC C=C(C)C[*:1] COc1ccccc1[C@H]([NH3+])[*:1]
C=C(C)C[C@@H]([NH3+])c1ccccc1OC C=C(C)[*:1] COc1ccccc1[C@H]([NH3+])C[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)N[C@H](C)C[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N[C@H](C)CS(C)(=O)=O C[C@H](CS(C)(=O)=O)[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)N[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N[C@H](C)CS(C)(=O)=O Cc1ccccc1[*:1] C[C@@H](CNC(=O)N[C@H](C)CS(C)(=O)=O)O[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)N[C@H](C)[*:1]
O=C(NC1CCN(C(=O)/C=C/c2cccs2)CC1)Oc1ccccc1 c1csc(c1)[*:1] O=C(NC1CCN(CC1)C(=O)C=C[*:1])Oc1ccccc1
O=C(NC1CCN(C(=O)/C=C/c2cccs2)CC1)Oc1ccccc1 C(=C[*:1])c1cccs1 O=C(NC1CCN(CC1)C(=O)[*:1])Oc1ccccc1
O=C(NC1CCN(C(=O)/C=C/c2cccs2)CC1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)/C=C/c1cccs1)O[*:1]
O=C1[NH+]=c2ccccc2=[NH+][C@@H]1CCC(=O)N1CCN(Cc2cccc3ccccc23)CC1 c1ccc2c(cccc2c1)[*:1] O=C1[NH+]=c2ccccc2=[NH+][C@@H]1CCC(=O)N1CCN(CC1)C[*:1]
CC(C)[C@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccccc1 CC(C)[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)[C@H](c1ccccc1)[*:1]
CC(C)[C@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccccc1 O=S1(=O)CC[C@@H](C1)[*:1] CC(C)[C@H](C(=O)NC[*:1])c1ccccc1
CC(C)[C@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)c1 COc1ccc(OC)c(c1)C[*:1] Cn1ccc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)c1 COc1ccc(OC)c(c1)[*:1] Cn1ccc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(ccn4C)c3)C2)c1 Cn1ccc2cc(ccc21)[*:1] COc1ccc(OC)c(c1)CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 FC(F)(F)[*:1] Cc1cccc(c1)Cn1nnc(n1)-c1cccc(c1)[*:1]
Cc1cccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 Cc1cccc(c1)[*:1] FC(F)(F)c1cccc(c1)-c1nnn(C[*:1])n1
O=C(CCNC(=O)c1cc(F)ccc1Br)NN=C(c1ccccc1)c1ccccc1 Fc1ccc(Br)c(c1)[*:1] O=C(CCNC(=O)[*:1])NN=C(c1ccccc1)c1ccccc1
O=C(CCNC(=O)c1cc(F)ccc1Br)NN=C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCNC(=O)c1cc(F)ccc1Br)NN=C(c1ccccc1)[*:1]
CC(C)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)cc1 CC(C)(C)S(=O)(=O)[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NCC[*:1]
CC(C)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)cc1 CC(C)(C)S(=O)(=O)C[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
CC(C)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NCCS(=O)(=O)[*:1]
Cc1ccc(F)cc1NC(=O)CSc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] Cc1ccc(F)cc1NC(=O)CSc1nc(cs1)[*:1]
O=S(=O)(C1CC1)N1CCC(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=S(=O)(C1CC1)N1CCC(CC1)c1cccc(c1)[*:1]
O=S(=O)(C1CC1)N1CCC(c2cccc(C(F)(F)F)c2)CC1 C1CC1[*:1] O=S(=O)(N1CCC(CC1)c1cccc(c1)C(F)(F)F)[*:1]
CN(C)c1cccc(C(=O)OCc2cc(-c3ccc(F)cc3)on2)c1 CN(C)[*:1] O=C(OCc1cc(on1)-c1ccc(F)cc1)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)OCc2cc(-c3ccc(F)cc3)on2)c1 Fc1ccc(cc1)[*:1] CN(C)c1cccc(c1)C(=O)OCc1cc(on1)[*:1]
O=[N+]([O-])c1ccc(N2C(=S)N3CCCN3[C@@H]2c2ccc(Br)cc2)cc1 O=[N+]([O-])[*:1] S=C1N(c2ccc(cc2)[*:1])[C@@H](c2ccc(Br)cc2)N2CCCN12
O=[N+]([O-])c1ccc(N2C(=S)N3CCCN3[C@@H]2c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)N1C(=S)N2CCCN2[C@H]1[*:1]
CC(C)(C)c1n[nH]c(C(=O)N2CCCCCCC2)n1 CC(C)(C)[*:1] O=C(c1nc(n[nH]1)[*:1])N1CCCCCCC1
CC(C)(C)OC(=O)NC1CC[NH+](C2CCCC2)CC1 CC(C)(C)[*:1] O=C(NC1CC[NH+](CC1)C1CCCC1)O[*:1]
CC(C)(C)OC(=O)NC1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] CC(C)(C)OC(=O)NC1CC[NH+](CC1)[*:1]
CC(C)n1cc[nH+]c1[C@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1 CC(C)[*:1] Fc1cnc(nc1N1CCOCC1)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
CC(C)n1cc[nH+]c1[C@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1 C1CN(CCO1)[*:1] CC(C)n1cc[nH+]c1[C@H]1CCCN(C1)c1ncc(F)c(n1)[*:1]
Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(-c2ncnc3c2cnn3-c2ccccc2)n1 Clc1ccc(Cl)c(c1)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ncnc2c1cnn2-c1ccccc1
Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(-c2ncnc3c2cnn3-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(n1)-c1ncnc2c1cnn2[*:1]
Cc1onc(-c2cccc(Br)c2)c1C(=O)[O-] O=C([O-])[*:1] Cc1onc(-c2cccc(Br)c2)c1[*:1]
CCCc1n[nH]cc1C(=O)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 C1CCC(C1)[*:1] CCCc1n[nH]cc1C(=O)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
CCCc1n[nH]cc1C(=O)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 CCC[*:1] O=C(c1c[nH]nc1[*:1])N1CC[C@@]2(CCCN(C2=O)C2CCCC2)C1
CCCc1n[nH]cc1C(=O)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 CCCc1n[nH]cc1[*:1] O=C1N(CCC[C@@]12CCN(C2)C(=O)[*:1])C1CCCC1
CCn1c(NC(=O)c2ccccc2F)nc2ccccc21 Fc1ccccc1[*:1] CCn1c(nc2ccccc21)NC(=O)[*:1]
CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)[C@H]1CCN(C1=O)[*:1]
CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)[C@H]1CCN(c2ccccc2)C1=O Brc1ccc(cc1)[*:1] CCN(C(=O)[C@H]1C[C@H]1[*:1])[C@H]1CCN(C1=O)c1ccccc1
O=C(CN1CC[NH2+][C@H](C(=O)[O-])C1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C([O-])[C@@H]1CN(CC[NH2+]1)CC(=O)[*:1]
O=C(CN1CC[NH2+][C@H](C(=O)[O-])C1)c1ccc[nH]1 O=C([O-])[*:1] O=C(CN1CC[NH2+][C@H](C1)[*:1])c1ccc[nH]1
COC(=O)c1cnc(NC(=O)Cc2csc(-c3cccs3)n2)s1 COC(=O)[*:1] O=C(Cc1csc(n1)-c1cccs1)Nc1ncc(s1)[*:1]
COC(=O)c1cnc(NC(=O)Cc2csc(-c3cccs3)n2)s1 c1csc(c1)[*:1] COC(=O)c1cnc(NC(=O)Cc2csc(n2)[*:1])s1
NC(=O)CCCNc1nc(C(F)(F)F)ccc1C(N)=O NC(=O)CCC[*:1] NC(=O)c1ccc(nc1N[*:1])C(F)(F)F
NC(=O)CCCNc1nc(C(F)(F)F)ccc1C(N)=O NC(=O)C[*:1] NC(=O)c1ccc(nc1NCC[*:1])C(F)(F)F
NC(=O)CCCNc1nc(C(F)(F)F)ccc1C(N)=O FC(F)(F)[*:1] NC(=O)CCCNc1nc(ccc1C(N)=O)[*:1]
NC(=O)CCCNc1nc(C(F)(F)F)ccc1C(N)=O NC(=O)[*:1] NC(=O)CCCNc1nc(ccc1[*:1])C(F)(F)F
NC(=O)CCCNc1nc(C(F)(F)F)ccc1C(N)=O NC(=O)[*:1] NC(=O)c1ccc(nc1NCCC[*:1])C(F)(F)F
NC(=O)CCCNc1nc(C(F)(F)F)ccc1C(N)=O NC(=O)CC[*:1] NC(=O)c1ccc(nc1NC[*:1])C(F)(F)F
CCOC(=O)[C@]1([NH3+])CCC[C@H]1CCn1nc(C)c(C)c1C CCOC(=O)[*:1] Cc1nn(CC[C@@H]2CCC[C@]2([NH3+])[*:1])c(C)c1C
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 c1ccc(cc1)[*:1] O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(CC1)c1cnn(c(=O)c1Cl)[*:1]
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 O=[N+]([O-])[*:1] O=C([C@H]1C[C@H]1[*:1])N1CCN(CC1)c1cnn(-c2ccccc2)c(=O)c1Cl
C[C@@H](C[NH3+])CN(C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@@H](C[NH3+])CN(C)[C@@H]1CCC[C@H](C1)[*:1]
Cc1ncc(CO)c(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O FC(F)(F)[*:1] Cc1ncc(CO)c(/C=N/Nc2ccc(cn2)[*:1])c1O
O=C(CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2)n1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1ccc(Cl)cc1)N[*:1]
O=C(CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2)n1)Nc1ccccc1 Clc1ccc(cc1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])Nc1ccccc1
N/C(=N/OCCn1cc[nH+]c1)c1cccnc1N1CCCCC1 C1CCN(CC1)[*:1] N/C(=N/OCCn1cc[nH+]c1)c1cccnc1[*:1]
O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(F)(F)F O=C(N[*:1])C(F)(F)F O=S(=O)(Nc1cccc(c1)C(F)(F)F)c1ccc(cc1)[*:1]
O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[*:1])C(F)(F)F
CCN[C@@]1(C(=O)OC)CC[C@@H](SCc2ccco2)C1 c1coc(c1)C[*:1] CCN[C@]1(CC[C@H](C1)S[*:1])C(=O)OC
CCN[C@@]1(C(=O)OC)CC[C@@H](SCc2ccco2)C1 CCN[*:1] COC(=O)[C@]1(CC[C@H](C1)SCc1ccco1)[*:1]
CCN[C@@]1(C(=O)OC)CC[C@@H](SCc2ccco2)C1 COC(=O)[*:1] CCN[C@]1(CC[C@H](C1)SCc1ccco1)[*:1]
CCN[C@@]1(C(=O)OC)CC[C@@H](SCc2ccco2)C1 c1coc(c1)[*:1] CCN[C@]1(CC[C@H](C1)SC[*:1])C(=O)OC
CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(C(N)=O)c1 NC(=O)[*:1] CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(c1)[*:1]
CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(C(N)=O)c1 CC(C)[*:1] NC(=O)c1cccc(c1)CC[NH2+][C@H]1CCCC[C@@H]1[*:1]
CC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 CC(=O)[*:1] C[C@@H]1C[C@H](CC(C)(C)C1)[*:1]
CCn1cc(CNc2ccccc2C[NH+]2CCC(O)CC2)cn1 CCn1cc(cn1)[*:1] OC1CC[NH+](CC1)Cc1ccccc1NC[*:1]
Cc1ccc([C@@H](NC(=O)c2ccccn2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](NC(=O)c1ccccn1)[*:1]
Cc1ccc([C@@H](NC(=O)c2ccccn2)C2CC2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)[*:1])C1CC1
CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1nnc2ccccn12 CCS[*:1] O=C(Nc1nnc2ccccn12)N[C@H]1CCCC[C@@H]1[*:1]
Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 c1cc(cs1)[*:1] Cc1nc(sc1C(=O)N[C@H](C)c1ccc2OCOc2c1)[*:1]
C[C@H]1CN(C(=O)[C@@H]2CC23CCN(C(=O)CCC(=O)c2ccccc2)CC3)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@@H]1CC12CCN(CC2)C(=O)CCC(=O)[*:1]
C[C@H]1CN(C(=O)[C@@H]2CC23CCN(C(=O)CCC(=O)c2ccccc2)CC3)C[C@@H](C)O1 O=C(CC[*:1])c1ccccc1 C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@@H]1CC12CCN(CC2)C(=O)[*:1]
C[C@H]1CN(C(=O)[C@@H]2CC23CCN(C(=O)CCC(=O)c2ccccc2)CC3)C[C@@H](C)O1 O=C(c1ccccc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@@H]1CC12CCN(CC2)C(=O)CC[*:1]
C[C@H]1CN(C(=O)[C@@H]2CC23CCN(C(=O)CCC(=O)c2ccccc2)CC3)C[C@@H](C)O1 O=C(C[*:1])c1ccccc1 C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@@H]1CC12CCN(CC2)C(=O)C[*:1]
Cc1nn(-c2ccc(Br)cc2)c2nc(-c3ccccn3)cc(C(F)(F)F)c12 Brc1ccc(cc1)[*:1] Cc1nn(c2nc(cc(c12)C(F)(F)F)-c1ccccn1)[*:1]
Cc1nn(-c2ccc(Br)cc2)c2nc(-c3ccccn3)cc(C(F)(F)F)c12 c1ccc(nc1)[*:1] Cc1nn(-c2ccc(Br)cc2)c2nc(cc(c12)C(F)(F)F)[*:1]
Cc1nn(-c2ccc(Br)cc2)c2nc(-c3ccccn3)cc(C(F)(F)F)c12 FC(F)(F)[*:1] Cc1nn(-c2ccc(Br)cc2)c2nc(cc(c12)[*:1])-c1ccccn1
CCCCCNC(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 CCNS(=O)(=O)[*:1] CCCCCNC(=O)N1CC[C@@H](C1)[*:1]
CCCCCNC(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 CCCC[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)NC[*:1]
CCCCCNC(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 CCCCC[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)N[*:1]
CCCCCNC(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 CCC[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)NCC[*:1]
CCNC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N[C@H](C)[*:1]
CCNC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] CCNC(=O)[C@@H](C)NC(=O)c1ccc(c(C)c1)[*:1]
O=C(Nc1cccc(C[NH2+]Cc2cccc3c2OCCO3)c1)C1CCCC1 O=C(N[*:1])C1CCCC1 c1cc(cc(c1)[*:1])C[NH2+]Cc1cccc2OCCOc12
O=C(Nc1cccc(C[NH2+]Cc2cccc3c2OCCO3)c1)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)C[NH2+]Cc1cccc2OCCOc12)[*:1]
CC(=O)NCCc1ccc(S(=O)(=O)Oc2cccc(C(C)(C)C)c2)s1 CC(=O)NCC[*:1] CC(C)(C)c1cccc(c1)OS(=O)(=O)c1ccc(s1)[*:1]
CC(=O)NCCc1ccc(S(=O)(=O)Oc2cccc(C(C)(C)C)c2)s1 CC(C)(C)[*:1] CC(=O)NCCc1ccc(s1)S(=O)(=O)Oc1cccc(c1)[*:1]
CC(=O)NCCc1ccc(S(=O)(=O)Oc2cccc(C(C)(C)C)c2)s1 CC(=O)NC[*:1] CC(C)(C)c1cccc(c1)OS(=O)(=O)c1ccc(C[*:1])s1
CC(=O)NCCc1ccc(S(=O)(=O)Oc2cccc(C(C)(C)C)c2)s1 CC(=O)N[*:1] CC(C)(C)c1cccc(c1)OS(=O)(=O)c1ccc(CC[*:1])s1
C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[*:1]
COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccc(N(C)C)cc5)nc4c32)cc1 CN(C)c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1c2ccc(O)cc2Oc2ncn3nc(nc3c21)[*:1]
COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccc(N(C)C)cc5)nc4c32)cc1 CN(C)[*:1] COc1ccc(cc1)[C@@H]1c2ccc(O)cc2Oc2ncn3nc(nc3c21)-c1ccc(cc1)[*:1]
COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccc(N(C)C)cc5)nc4c32)cc1 COc1ccc(cc1)[*:1] CN(C)c1ccc(cc1)-c1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@H]3[*:1]
CC1=C(/C=C/C(=O)OCC2=NC(=O)[C@H]3SC=CC3=N2)[C@H](C)N(c2ccccc2)N1 c1ccc(cc1)[*:1] CC1NN([C@@H](C)C=1/C=C/C(=O)OCC1=NC(=O)[C@H]2SC=CC2=N1)[*:1]
CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc3c(F)cccc3s2)c1 CN(C)C(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1cc2c(F)cccc2s1
CC#CCN[C@H](C)c1cc(C)ccc1OC CC#CC[*:1] COc1ccc(C)cc1[C@@H](C)N[*:1]
CC#CCN[C@H](C)c1cc(C)ccc1OC CC#C[*:1] COc1ccc(C)cc1[C@@H](C)NC[*:1]
CC#CCN[C@H](C)c1cc(C)ccc1OC CC#CCN[*:1] COc1ccc(C)cc1[C@@H](C)[*:1]
CN(CC1=NC(=O)[C@H]2SC=CC2=N1)Cc1ccccc1F Fc1ccccc1[*:1] CN(CC1=NC(=O)[C@H]2SC=CC2=N1)C[*:1]
O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(c(c1)[*:1])N1CCCC1
O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] O=C(Nc1cccc(Cl)c1[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(N)=O Clc1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1Cc1ccco1)[*:1])C(N)=O
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(N)=O NC(=O)[*:1] C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)[*:1]
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(N)=O c1coc(c1)C[*:1] C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1[*:1])C(N)=O
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(N)=O C[C@H](S[*:1])C(N)=O Clc1ccc(cc1)-c1nnc(n1Cc1ccco1)[*:1]
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(N)=O c1coc(c1)[*:1] C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[*:1])C(N)=O
CN(C)C(=O)N1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N(CC[NH+](C)C)C[*:1]
CN(C)C(=O)N1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N(CC[NH+](C)C)[*:1]
CCC(CC)(NC(=O)c1ccc(CC[NH3+])cc1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)c1ccc(cc1)CC[NH3+])[*:1]
CCC(CC)(NC(=O)c1ccc(CC[NH3+])cc1)C(=O)[O-] [NH3+]CC[*:1] CCC(CC)(NC(=O)c1ccc(cc1)[*:1])C(=O)[O-]
Cc1csc([C@H](C)N2CC(=O)C(c3n(C)c4ccccc4[n+]3C)=C2N)n1 Cc1csc(n1)[*:1] C[C@H](N1CC(=O)C(=C1N)c1n(C)c2ccccc2[n+]1C)[*:1]
CC(C)(C)c1csc(CNC(=O)Nc2cnn(-c3ncccn3)c2)n1 c1cnc(nc1)[*:1] CC(C)(C)c1csc(CNC(=O)Nc2cnn(c2)[*:1])n1
CC(C)(C)c1csc(CNC(=O)Nc2cnn(-c3ncccn3)c2)n1 CC(C)(C)[*:1] O=C(NCc1nc(cs1)[*:1])Nc1cnn(c1)-c1ncccn1
COC(=O)c1ccc(/C=C2\Cc3ccccc3C2=O)cc1 COC(=O)[*:1] O=C1/C(=C/c2ccc(cc2)[*:1])Cc2ccccc21
CCNc1ncc(COc2ccc(Br)cc2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] CCNc1ncc(COc2ccc(Br)cc2[*:1])s1
CCNc1ncc(COc2ccc(Br)cc2[N+](=O)[O-])s1 CCN[*:1] O=[N+]([O-])c1cc(Br)ccc1OCc1cnc(s1)[*:1]
O=C(Nc1ccc(F)cc1)N1CCN(c2cccc[nH+]2)CC1 Fc1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)c1cccc[nH+]1
Cc1nn(C)c2sc(C(=O)N[C@@H](CO)c3ccc(C(F)(F)F)cc3)cc12 FC(F)(F)[*:1] Cc1nn(C)c2sc(cc12)C(=O)N[C@@H](CO)c1ccc(cc1)[*:1]
O=C(Nc1ccc(F)cc1F)N1CC[C@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] O=C(Nc1ccc(F)cc1F)N1CC[C@@H](C1)C[*:1]
O=C(Nc1ccc(F)cc1F)N1CC[C@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] O=C(Nc1ccc(F)cc1F)N1CC[C@H](C1)[*:1]
Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 C1CC[C@@H](OC1)[*:1] Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(CC1)OC[*:1]
Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 C1CC[C@H](C[*:1])OC1 Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(CC1)O[*:1]
Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 C1CC[C@H](CO[*:1])OC1 Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(CC1)[*:1]
O=C(NCCCS(=O)(=O)Cc1cccc(Cl)c1)C(F)(F)F FC(F)(F)[*:1] O=C(NCCCS(=O)(=O)Cc1cccc(Cl)c1)[*:1]
O=C(NCCCS(=O)(=O)Cc1cccc(Cl)c1)C(F)(F)F O=C(N[*:1])C(F)(F)F O=S(=O)(CCC[*:1])Cc1cccc(Cl)c1
O=C(NCCCS(=O)(=O)Cc1cccc(Cl)c1)C(F)(F)F Clc1cccc(c1)[*:1] O=C(NCCCS(=O)(=O)C[*:1])C(F)(F)F
O=C([O-])c1nn(-c2ccc(Br)cc2F)cc1CCCO O=C([O-])[*:1] OCCCc1cn(nc1[*:1])-c1ccc(Br)cc1F
O=C([O-])c1nn(-c2ccc(Br)cc2F)cc1CCCO OCC[*:1] O=C([O-])c1nn(cc1C[*:1])-c1ccc(Br)cc1F
O=C([O-])c1nn(-c2ccc(Br)cc2F)cc1CCCO OCCC[*:1] O=C([O-])c1nn(cc1[*:1])-c1ccc(Br)cc1F
Cc1[nH+]cn(C[C@H](C)[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)c1C CC(C)[*:1] Cc1[nH+]cn(C[C@H](C)[NH2+][C@H](c2nc3ccccc3[nH]2)[*:1])c1C
O=c1[nH]c(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2scc(-c3ccc(F)cc3)c12 Fc1ccc(cc1)[*:1] O=c1[nH]c(CN2CCN(CC2)S(=O)(=O)Cc2ccccc2)nc2scc(c12)[*:1]
O=c1[nH]c(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2scc(-c3ccc(F)cc3)c12 c1ccc(cc1)C[*:1] O=c1[nH]c(CN2CCN(CC2)S(=O)(=O)[*:1])nc2scc(-c3ccc(F)cc3)c12
O=c1[nH]c(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2scc(-c3ccc(F)cc3)c12 c1ccc(cc1)[*:1] O=c1[nH]c(CN2CCN(CC2)S(=O)(=O)C[*:1])nc2scc(-c3ccc(F)cc3)c12
O=C(c1ccoc1)N1CCCCC[C@H]1c1ccccc1 c1cc(co1)[*:1] O=C(N1CCCCC[C@H]1c1ccccc1)[*:1]
O=C(c1ccoc1)N1CCCCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccoc1)N1CCCCC[C@@H]1[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)N[*:1]
O=C1C2=C3CCC[C@@H]3SC2=NC(=S)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C2C(=NC(=S)N1[*:1])S[C@H]1CCCC=21
COC(=O)[C@]1(NC2CC2)CC[C@@H](SC(C)C)C1 CC(C)[*:1] COC(=O)[C@@]1(CC[C@H](C1)S[*:1])NC1CC1
COC(=O)[C@]1(NC2CC2)CC[C@@H](SC(C)C)C1 CC(C)S[*:1] COC(=O)[C@@]1(CC[C@@H](C1)[*:1])NC1CC1
COC(=O)[C@]1(NC2CC2)CC[C@@H](SC(C)C)C1 C1CC1[*:1] COC(=O)[C@@]1(CC[C@H](C1)SC(C)C)N[*:1]
COC(=O)[C@]1(NC2CC2)CC[C@@H](SC(C)C)C1 COC(=O)[*:1] CC(C)S[C@@H]1CC[C@](C1)(NC1CC1)[*:1]
COC(=O)[C@]1(NC2CC2)CC[C@@H](SC(C)C)C1 C1CC1N[*:1] COC(=O)[C@@]1(CC[C@H](C1)SC(C)C)[*:1]
CC1(C)[C@@H](C#N)C(=O)N=C(SCC(=O)[O-])[C@H]1C#N O=C([O-])C[*:1] CC1(C)[C@@H](C#N)C(=O)N=C(S[*:1])[C@H]1C#N
CC1(C)[C@@H](C#N)C(=O)N=C(SCC(=O)[O-])[C@H]1C#N O=C([O-])[*:1] CC1(C)[C@@H](C#N)C(=O)N=C(SC[*:1])[C@H]1C#N
O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2 c1cc(ccn1)CCC[*:1] O=C(N[*:1])[C@@H]1CC12CCN(CC2)C(=O)c1ccc(cc1)-c1ccco1
O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2 c1cc(ccn1)C[*:1] O=C(NCC[*:1])[C@@H]1CC12CCN(CC2)C(=O)c1ccc(cc1)-c1ccco1
O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2 c1coc(c1)[*:1] O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(CC2)C(=O)c1ccc(cc1)[*:1]
O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2 c1coc(c1)-c1ccc(cc1)[*:1] O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(CC2)C(=O)[*:1]
O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2 c1cc(ccn1)CC[*:1] O=C(NC[*:1])[C@@H]1CC12CCN(CC2)C(=O)c1ccc(cc1)-c1ccco1
O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2 c1cc(ccn1)[*:1] O=C(NCCC[*:1])[C@@H]1CC12CCN(CC2)C(=O)c1ccc(cc1)-c1ccco1
NS(=O)(=O)c1cccc(CNCc2c[nH+]cn2C2CC2)c1 C1CC1[*:1] NS(=O)(=O)c1cccc(c1)CNCc1c[nH+]cn1[*:1]
NS(=O)(=O)c1cccc(CNCc2c[nH+]cn2C2CC2)c1 NS(=O)(=O)[*:1] c1cc(cc(c1)[*:1])CNCc1c[nH+]cn1C1CC1
CCc1ncc(CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)s1 CCc1ncc(C[*:1])s1 CN(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O)[*:1]
CCc1ncc(CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)s1 NC(=O)N[*:1] CCc1ncc(CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)[*:1])s1
CCc1ncc(CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)s1 CCc1ncc(s1)[*:1] CN(C[*:1])C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O
CCc1ncc(CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)s1 c1ccc2c(c[nH]c2c1)[*:1] CCc1ncc(CN(C)C(=O)[C@H](C[*:1])NC(N)=O)s1
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]1 Cc1ccccc1[*:1] O=C(CSc1nnc([nH]1)[*:1])Nc1ccc(Cl)cc1
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]1 Clc1ccc(cc1)[*:1] Cc1ccccc1-c1nnc([nH]1)SCC(=O)N[*:1]
CCCCNC(=O)NC(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CCCCNC(=O)NC(=O)CN(C)[C@H]1CCCN(C1)[*:1]
CCCCNC(=O)NC(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1 CCC[*:1] CN(CC(=O)NC(=O)NC[*:1])[C@H]1CCCN(C1)c1ccccc1
CCCCNC(=O)NC(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1 CCCC[*:1] CN(CC(=O)NC(=O)N[*:1])[C@H]1CCCN(C1)c1ccccc1
CCOc1ccc(Br)cc1[C@H]([NH3+])c1cc(C)ccc1C CCO[*:1] Cc1ccc(C)c(c1)[C@@H]([NH3+])c1cc(Br)ccc1[*:1]
O=C(Cc1ccncc1)NNC(=O)c1ccc2c(c1)Cc1ccccc1-2 c1cc(ccn1)C[*:1] O=C(NNC(=O)[*:1])c1ccc2c(c1)Cc1ccccc1-2
O=C(Cc1ccncc1)NNC(=O)c1ccc2c(c1)Cc1ccccc1-2 c1cc(ccn1)[*:1] O=C(C[*:1])NNC(=O)c1ccc2c(c1)Cc1ccccc1-2
CCc1cc(=O)[nH]c(-c2ccc(NC(CO)CO)nc2)n1 OCC(CO)N[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc(nc1)[*:1]
CCc1cc(=O)[nH]c(-c2ccc(NC(CO)CO)nc2)n1 OCC(CO)[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc(nc1)N[*:1]
COCCn1nc(C)c(CNC(=O)[C@@H]2CCO[C@H]2C)c1C COCC[*:1] Cc1nn(c(C)c1CNC(=O)[C@@H]1CCO[C@H]1C)[*:1]
COCCn1nc(C)c(CNC(=O)[C@@H]2CCO[C@H]2C)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)[C@@H]1CCO[C@H]1C
CCc1n[nH]c([C@@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)n1 CCc1n[nH]c(n1)[*:1] NC(=O)[C@H](c1ccccc1)N1CCO[C@@H](C1)[*:1]
CCc1n[nH]c([C@@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)n1 c1ccc(cc1)[*:1] CCc1n[nH]c(n1)[C@@H]1CN(CCO1)[C@H](C(N)=O)[*:1]
CCc1n[nH]c([C@@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)n1 NC(=O)[*:1] CCc1n[nH]c(n1)[C@@H]1CN(CCO1)[C@H](c1ccccc1)[*:1]
C[C@H]1CCCCN1C(=O)Cn1c(CNC(=O)c2cccc(Br)c2)nc2ccccc21 Brc1cccc(c1)[*:1] C[C@H]1CCCCN1C(=O)Cn1c(CNC(=O)[*:1])nc2ccccc21
C[C@H]1CCCCN1C(=O)Cn1c(CNC(=O)c2cccc(Br)c2)nc2ccccc21 O=C(N[*:1])c1cccc(Br)c1 C[C@H]1CCCCN1C(=O)Cn1c(C[*:1])nc2ccccc21
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1)[*:1]
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1CCCCC1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1])C1CCCCC1
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1CCCCC1 C[C@@H](C1CCCCC1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1
C[C@H](NC(=O)[C@H](c1ccccc1)n1cccc1)c1ccccc1 c1ccn(c1)[*:1] C[C@H](NC(=O)[C@H](c1ccccc1)[*:1])c1ccccc1
C[C@H](NC(=O)[C@H](c1ccccc1)n1cccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H](c1ccccc1)n1cccc1)[*:1]
C[C@H](NC(=O)[C@H](c1ccccc1)n1cccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H](n1cccc1)[*:1])c1ccccc1
O=C(Oc1cccc(N2CCCC2=O)c1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C1CCCN1c1cccc(c1)OC(=O)[*:1]
O=C(Oc1cccc(N2CCCC2=O)c1)c1ccc(Br)o1 O=C1CCCN1[*:1] O=C(Oc1cccc(c1)[*:1])c1ccc(Br)o1
COc1ccc2c(c1)cc(C(=O)N(C)CCCn1nc(C)cc1C)n2C Cc1cc(C)n(C[*:1])n1 COc1ccc2c(c1)cc(C(=O)N(C)CC[*:1])n2C
COc1ccc2c(c1)cc(C(=O)N(C)CCCn1nc(C)cc1C)n2C Cc1cc(C)n(n1)[*:1] COc1ccc2c(c1)cc(C(=O)N(C)CCC[*:1])n2C
COCCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O COC[*:1] CS(=O)(=O)N(CC(=O)NC[*:1])c1ccc(Br)cc1
COCCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O COCC[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccc(Br)cc1
Cc1ccnc(S[C@@H]2CCC[C@@]([NH2+]C(C)C)(C(N)=O)C2)n1 CC(C)[*:1] Cc1ccnc(n1)S[C@@H]1CCC[C@@](C1)([NH2+][*:1])C(N)=O
Cc1ccnc(S[C@@H]2CCC[C@@]([NH2+]C(C)C)(C(N)=O)C2)n1 Cc1ccnc(n1)[*:1] CC(C)[NH2+][C@]1(CCC[C@H](C1)S[*:1])C(N)=O
Cc1ccnc(S[C@@H]2CCC[C@@]([NH2+]C(C)C)(C(N)=O)C2)n1 NC(=O)[*:1] Cc1ccnc(n1)S[C@@H]1CCC[C@](C1)([NH2+]C(C)C)[*:1]
COc1ccc([C@H](C)C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1OC C1CC1[*:1] COc1ccc(cc1OC)[C@H](C)C(=O)Nc1ccc2nc(oc2c1)[*:1]
CC1=C2C(=O)N=C(CS[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)N=C2S[C@H]1C c1cc2OCOc2cc1[*:1] CC1=C2C(=O)N=C(CS[C@H](C)C(=O)NC[*:1])N=C2S[C@H]1C
CC(C)(C)c1nnc(NC[C@@H](c2ccco2)[NH+]2CCCC2)o1 CC(C)(C)[*:1] c1coc(c1)[C@H](CNc1nnc(o1)[*:1])[NH+]1CCCC1
CC(C)(C)c1nnc(NC[C@@H](c2ccco2)[NH+]2CCCC2)o1 c1coc(c1)[*:1] CC(C)(C)c1nnc(NC[C@@H]([NH+]2CCCC2)[*:1])o1
N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 N#Cc1cccc(c1)[*:1] O=S(=O)(N1CCC[C@@H]1c1ccc2OCCOc2c1)[*:1]
Cc1cccc(-c2nn3c(=O)cc(CN4CCN(C(=O)c5ccccc5Cl)CC4)nc3s2)c1 Cc1cccc(c1)[*:1] O=C(c1ccccc1Cl)N1CCN(CC1)Cc1cc(=O)n2nc(sc2n1)[*:1]
Cc1cccc(-c2nn3c(=O)cc(CN4CCN(C(=O)c5ccccc5Cl)CC4)nc3s2)c1 Clc1ccccc1[*:1] Cc1cccc(c1)-c1nn2c(=O)cc(CN3CCN(CC3)C(=O)[*:1])nc2s1
CCC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)c2C1 O=[N+]([O-])c1cccc(c1)[*:1] CCC(C)(C)[C@H]1CCc2[nH]nc(C(=O)NN=C[*:1])c2C1
CCC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)c2C1 CCC(C)(C)[*:1] O=C(N/N=C/c1cccc(c1)[N+](=O)[O-])c1n[nH]c2CC[C@@H](Cc12)[*:1]
CCC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)c2C1 O=[N+]([O-])[*:1] CCC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N/N=C/c3cccc(c3)[*:1])c2C1
CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC(C)C)cc1 CC(C)N[*:1] CCc1ccc(cc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1[*:1]
CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N[*:1]
COC(=O)[C@]1(F)CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)C1 c1ccc(cc1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)Nc1cnc(nc1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)C1 COC(=O)[*:1] O=C(Nc1cnc(nc1)-c1ccccc1)N1CC[C@@](F)(C1)[*:1]
O=[N+]([O-])c1cc(Br)cc(C(F)(F)F)c1 O=[N+]([O-])[*:1] FC(F)(F)c1cc(Br)cc(c1)[*:1]
O=[N+]([O-])c1cc(Br)cc(C(F)(F)F)c1 FC(F)(F)[*:1] O=[N+]([O-])c1cc(Br)cc(c1)[*:1]
Cc1nsc(N)c1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 Cc1nsc(N)c1[*:1] O=[N+]([O-])c1ccc(cc1)-c1noc(n1)[*:1]
Cc1nsc(N)c1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 O=[N+]([O-])[*:1] Cc1nsc(N)c1-c1nc(no1)-c1ccc(cc1)[*:1]
Cc1c(C(=O)NC[C@H](C)c2cccs2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@H](C)c1cccs1
Cc1c(C(=O)NC[C@H](C)c2cccs2)cnn1-c1ccc(F)cc1 c1csc(c1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)NC[C@H](C)[*:1]
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[*:1]
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccc(Br)o1 Cc1ccc(cc1)[*:1] CCN(C[C@@H](O)[*:1])C(=O)c1ccc(Br)o1
CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)C)C1 CC(C)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](c1ccccc1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)C)C1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](C(C)C)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)C)C1 CCOC(=O)[*:1] CC(C)[C@@H](NC(=O)N1CCC[C@H](C1)[*:1])c1ccccc1
Cc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1S(=O)(=O)[N-]c1ccccc1Cl Clc1ccccc1[*:1] Cc1ccc(cc1S(=O)(=O)[N-][*:1])NC(=O)c1cccc(c1)C[NH+]1CCCC1
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)Cc1ccccc1)[*:1]
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)Cc1ccccc1)c1ccc(cc1)[*:1]
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)C[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CN1Cc1ccccn1 c1csc(n1)[*:1] O=C1C[C@H](CN1Cc1ccccn1)C(=O)N1CCN(CC1)[*:1]
O=C1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CN1Cc1ccccn1 c1ccc(C[*:1])nc1 O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1nccs1
O=C1C[C@@H](C(=O)N2CCN(c3nccs3)CC2)CN1Cc1ccccn1 c1ccc(nc1)[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCN(CC1)c1nccs1
O=[N+]([O-])c1ccc(-c2cc(F)cc(Cl)c2)cc1 O=[N+]([O-])[*:1] Fc1cc(Cl)cc(c1)-c1ccc(cc1)[*:1]
CC(C)CN(CC(C)C)C(=O)Cn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21 CC(C)[*:1] CC(C)CN(C[*:1])C(=O)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C)C1
CC(C)CN(CC(C)C)C(=O)Cn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21 CC(C)C[*:1] CC(C)CN(C(=O)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C)C1)[*:1]
CC[C@](C)(NC(=O)CCCOC)/C(N)=N/O COCC[*:1] CC[C@](C)(NC(=O)C[*:1])/C(N)=N/O
CC[C@](C)(NC(=O)CCCOC)/C(N)=N/O COC[*:1] CC[C@](C)(NC(=O)CC[*:1])/C(N)=N/O
CC[C@](C)(NC(=O)CCCOC)/C(N)=N/O COCCC[*:1] CC[C@](C)(NC(=O)[*:1])/C(N)=N/O
CC[C@](C)(NC(=O)CCCOC)/C(N)=N/O N/C(=N\O)[*:1] CC[C@](C)(NC(=O)CCCOC)[*:1]
C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C)c1nncn1C c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@@H](C(C)(C)C)[*:1])c1nncn1C
C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C)c1nncn1C CC(C)(C)[*:1] C[C@@H](NC(=O)N[C@@H](c1ccccc1)[*:1])c1nncn1C
C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C)c1nncn1C Cn1cnnc1[*:1] C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C)[*:1]
CC(/C=C/c1ccco1)=N/NC(=O)c1ccc(F)cc1 c1coc(c1)[*:1] C/C(C=C[*:1])=N/NC(=O)c1ccc(F)cc1
CC1=NC(CNC(=O)c2cccc(NCc3ccccn3)c2C)=NC(=O)C1 c1ccc(nc1)[*:1] CC1CC(=O)N=C(CNC(=O)c2cccc(NC[*:1])c2C)N=1
CC1=NC(CNC(=O)c2cccc(NCc3ccccn3)c2C)=NC(=O)C1 c1ccc(C[*:1])nc1 CC1CC(=O)N=C(CNC(=O)c2cccc(N[*:1])c2C)N=1
CC1=NC(CNC(=O)c2cccc(NCc3ccccn3)c2C)=NC(=O)C1 c1ccc(CN[*:1])nc1 CC1CC(=O)N=C(CNC(=O)c2cccc(c2C)[*:1])N=1
COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cccc(F)c3)n2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)-c1ccc(=O)n(CCNS(=O)(=O)[*:1])n1
COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cccc(F)c3)n2)cc1 COc1ccc(cc1)[*:1] O=c1ccc(nn1CCNS(=O)(=O)c1cccc(F)c1)[*:1]
O=C1C[C@@H](N(Cc2ccc3c(c2)OCO3)C(=S)Nc2ccccc2)C(=O)N1c1ccc(F)cc1 c1cc2OCOc2cc1C[*:1] O=C1C[C@H](C(=O)N1c1ccc(F)cc1)N(C(=S)Nc1ccccc1)[*:1]
O=C1C[C@@H](N(Cc2ccc3c(c2)OCO3)C(=S)Nc2ccccc2)C(=O)N1c1ccc(F)cc1 c1cc2OCOc2cc1[*:1] O=C1C[C@H](C(=O)N1c1ccc(F)cc1)N(C[*:1])C(=S)Nc1ccccc1
O=C1C[C@@H](N(Cc2ccc3c(c2)OCO3)C(=S)Nc2ccccc2)C(=O)N1c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N1c1ccc(F)cc1)N(Cc1ccc2OCOc2c1)C(=S)N[*:1]
O=C1C[C@@H](N(Cc2ccc3c(c2)OCO3)C(=S)Nc2ccccc2)C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N1[*:1])N(Cc1ccc2OCOc2c1)C(=S)Nc1ccccc1
COC(=O)CN(CN1C(=O)CC2(CCCC2)C1=O)C1CC1 COC(=O)C[*:1] O=C1CC2(CCCC2)C(=O)N1CN(C1CC1)[*:1]
COC(=O)CN(CN1C(=O)CC2(CCCC2)C1=O)C1CC1 C1CC1[*:1] COC(=O)CN(CN1C(=O)CC2(CCCC2)C1=O)[*:1]
COC(=O)CN(CN1C(=O)CC2(CCCC2)C1=O)C1CC1 COC(=O)[*:1] O=C1CC2(CCCC2)C(=O)N1CN(C[*:1])C1CC1
C[C@H](CS)CSCC1CCCC1 C[C@H](CS)[*:1] C1CCC(C1)CSC[*:1]
Cc1nn(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c(=S)n1C1CC1 Fc1ccc(cc1F)[*:1] Cc1nn(CN2CCO[C@H](C2)[*:1])c(=S)n1C1CC1
Cc1nn(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c(=S)n1C1CC1 C1CC1[*:1] Cc1nn(CN2CCO[C@@H](C2)c2ccc(F)c(F)c2)c(=S)n1[*:1]
Cc1cc2c(c(=O)n1CCC[NH+]1CCOCC1)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 Clc1cccc(Cl)c1[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c2c(=O)n1CCC[NH+]1CCOCC1)[*:1]
CC(C)(C)C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CC(C)(C)C(=O)Oc1ccc(cc1)NC(=O)[*:1]
CC(C)(C)C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 CC(C)(C)C(=O)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccco1
CC(C)(C)C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)OC(=O)[*:1])c1ccco1
Cc1nc(NC(=O)[C@@H](C[NH3+])CC(C)C)sc1C CC(C)[*:1] Cc1nc(NC(=O)[C@@H](C[NH3+])C[*:1])sc1C
Cc1nc(NC(=O)[C@@H](C[NH3+])CC(C)C)sc1C CC(C)C[*:1] Cc1nc(NC(=O)[C@@H](C[NH3+])[*:1])sc1C
Clc1cc(Cl)cc(-c2nc(-c3ccccn3)no2)c1 c1ccc(nc1)[*:1] Clc1cc(Cl)cc(c1)-c1nc(no1)[*:1]
Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CCC(C)C)c(Cl)n1 CC(C)CC[*:1] Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2[*:1])c(Cl)n1
Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CCC(C)C)c(Cl)n1 CC(C)C[*:1] Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[*:1])c(Cl)n1
Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CCC(C)C)c(Cl)n1 CC(C)[*:1] Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CC[*:1])c(Cl)n1
CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 COc1cccc(c1)[*:1] CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2[*:1]
CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 CCC[*:1] COc1cccc(c1)-n1c2nc3ccccc3nc2c2c(=O)n(c(C)nc21)[*:1]
CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3CC)cc1 CCC[*:1] CCN1C(=O)Cc2cc(ccc21)NS(=O)(=O)c1ccc(cc1)O[*:1]
CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3CC)cc1 CCCO[*:1] CCN1C(=O)Cc2cc(ccc21)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N2CCc3c([nH+]cn3C3CC3)C2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C(=O)N1CCc2c(C1)[nH+]cn2C1CC1)[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N2CCc3c([nH+]cn3C3CC3)C2)n1 C1CC1[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)N1CCc2c(C1)[nH+]cn2[*:1]
Nc1cc(Br)ccc1C(=O)NC1(C(=O)[O-])CC1 O=C([O-])[*:1] Nc1cc(Br)ccc1C(=O)NC1(CC1)[*:1]
C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C[C@@H]1CO CS(=O)(=O)[*:1] C[NH+](C)C[C@@H]1CN(C[C@@H]1CO)C(=O)c1ccc(cc1)[*:1]
COCc1cccc(CNC(=O)Cn2ccccc2=O)c1 COC[*:1] O=C(Cn1ccccc1=O)NCc1cccc(c1)[*:1]
COCc1cccc(CNC(=O)Cn2ccccc2=O)c1 O=c1ccccn1[*:1] COCc1cccc(c1)CNC(=O)C[*:1]
CC1(c2nnc(-c3ccc4ccccc4n3)o2)CCOCC1 CC1(CCOCC1)[*:1] c1ccc2nc(ccc2c1)-c1nnc(o1)[*:1]
Cc1cc(C)c2sc(NC(=O)c3ccc(Br)cc3)nc2c1 Brc1ccc(cc1)[*:1] Cc1cc(C)c2sc(nc2c1)NC(=O)[*:1]
O=C1CC[C@H](COC(=O)[C@H]2CCCc3ccccc32)N1 O=C1CC[C@H](N1)[*:1] O=C(OC[*:1])[C@H]1CCCc2ccccc21
CCSc1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)oc2C)s1 CCSc1nnc(s1)[*:1] Cc1oc(cc1C(=O)N[*:1])-c1ccc(Br)cc1
CCSc1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)oc2C)s1 Brc1ccc(cc1)[*:1] CCSc1nnc(NC(=O)c2cc(oc2C)[*:1])s1
CCSc1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)oc2C)s1 CCS[*:1] Cc1oc(cc1C(=O)Nc1nnc(s1)[*:1])-c1ccc(Br)cc1
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 Clc1ccc(c(Cl)c1)[*:1] C[C@H](O[*:1])C(=O)N1CCC[C@H](C1)[NH+]1CCCC1
CCCc1noc(CS(=O)(=O)[C@H](C)C(=O)Nc2ccccc2F)n1 Fc1ccccc1[*:1] CCCc1noc(CS(=O)(=O)[C@H](C)C(=O)N[*:1])n1
CCCc1noc(CS(=O)(=O)[C@H](C)C(=O)Nc2ccccc2F)n1 CCC[*:1] C[C@H](C(=O)Nc1ccccc1F)S(=O)(=O)Cc1nc(no1)[*:1]
CCCc1noc(CS(=O)(=O)[C@H](C)C(=O)Nc2ccccc2F)n1 CCCc1noc(n1)[*:1] C[C@H](C(=O)Nc1ccccc1F)S(=O)(=O)C[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CC1)[*:1]
CC(C)N(C)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(C)N(C)C(=O)N[C@H](C)c1ccc(cc1)OC[*:1]
CC(C)N(C)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CC(C)N(C)C(=O)N[C@H](C)c1ccc(cc1)O[*:1]
CC(C)N(C)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 CC(C)N(C)C(=O)N[*:1] C[C@H](c1ccc(cc1)OCc1ccc(F)cc1)[*:1]
CC(C)N(C)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 CC(C)[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccc(cc1)OCc1ccc(F)cc1
CC[C@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2C)C1 CC[C@H](C)[*:1] Cc1c(Cl)cccc1-n1c2NCN(Cc2c(=O)[nH]c1=O)[*:1]
CC[C@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2C)C1 Cc1c(Cl)cccc1[*:1] CC[C@H](C)N1CNc2c(C1)c(=O)[nH]c(=O)n2[*:1]
CCC[C@H](O)Cc1nc(-c2ncc(Cl)cc2Cl)no1 CCC[C@H](O)C[*:1] Clc1cnc(-c2noc(n2)[*:1])c(Cl)c1
CCC[C@H](O)Cc1nc(-c2ncc(Cl)cc2Cl)no1 CCC[C@H](O)[*:1] Clc1cnc(-c2noc(C[*:1])n2)c(Cl)c1
CCC[C@H](O)Cc1nc(-c2ncc(Cl)cc2Cl)no1 CCC[*:1] O[C@H](Cc1nc(no1)-c1ncc(Cl)cc1Cl)[*:1]
COc1ccc(C)c2c1N(C(=O)CCn1cc(C)cn1)CCC2 Cc1cnn(c1)C[*:1] COc1ccc(C)c2CCCN(C(=O)C[*:1])c12
COc1ccc(C)c2c1N(C(=O)CCn1cc(C)cn1)CCC2 Cc1cnn(c1)[*:1] COc1ccc(C)c2CCCN(C(=O)CC[*:1])c12
O=C1N(CC2CC2)CCC[C@]1(O)C[NH+]1CCC2(CC1)OCCO2 C1CC1[*:1] O=C1N(CCC[C@]1(O)C[NH+]1CCC2(CC1)OCCO2)C[*:1]
O=C1N(CC2CC2)CCC[C@]1(O)C[NH+]1CCC2(CC1)OCCO2 C1CC1C[*:1] O=C1N(CCC[C@]1(O)C[NH+]1CCC2(CC1)OCCO2)[*:1]
O=C(NC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1ccncc1 Fc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)N[*:1])c1ccncc1
O=C(NC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1ccc(F)cc1)N1CCC(CC1)NC(=O)[*:1]
N#Cc1cccc(NC(=O)c2ccsc2)c1 c1cc(cs1)[*:1] N#Cc1cccc(c1)NC(=O)[*:1]
C[C@@H]1CN(c2cc(SCc3ccc([N+](=O)[O-])cc3)ncn2)C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1cc(ncn1)SCc1ccc(cc1)[*:1]
C[C@H](NC(=O)NCc1cc2ccccc2[nH]1)C1CC1 C1CC1[*:1] C[C@H](NC(=O)NCc1cc2ccccc2[nH]1)[*:1]
C[C@H](NC(=O)NCc1cc2ccccc2[nH]1)C1CC1 C[C@H](C1CC1)[*:1] O=C(NCc1cc2ccccc2[nH]1)N[*:1]
CC[C@@H](CC1CC1)n1c(CCl)nc2cc(Br)cnc21 C1CC1[*:1] CC[C@@H](C[*:1])n1c(CCl)nc2cc(Br)cnc21
CC[C@@H](CC1CC1)n1c(CCl)nc2cc(Br)cnc21 C1CC1C[*:1] CC[C@@H](n1c(CCl)nc2cc(Br)cnc21)[*:1]
COCCOCc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 COCCOC[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1)[*:1]
COCCOCc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 COCC[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1)CO[*:1]
COCCOCc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 COC[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1)COC[*:1]
COCCOCc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 COCCO[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1)C[*:1]
O=C(NCc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])Nc1cccc(c1)C(F)(F)F
O=C(NCc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCc1ccc(F)cc1)Nc1cccc(c1)[*:1]
CCCCc1ccc(-n2nnnc2SC[C@@H]2CCCCO2)cc1 CCC[*:1] c1cc(ccc1C[*:1])-n1nnnc1SC[C@@H]1CCCCO1
CCCCc1ccc(-n2nnnc2SC[C@@H]2CCCCO2)cc1 CCCC[*:1] c1cc(ccc1-n1nnnc1SC[C@@H]1CCCCO1)[*:1]
C[C@@H](CC1CCOCC1)[NH2+][C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](CC1CCOCC1)[NH2+][C@@H](C)C[*:1]
C[C@@H](CC1CCOCC1)[NH2+][C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@@H](CC1CCOCC1)[NH2+][C@@H](C)[*:1]
CCC(=O)N[C@H]1CCCN(C(=O)NCCn2cnnc2CC)C1 CCC(=O)N[*:1] CCc1nncn1CCNC(=O)N1CCC[C@@H](C1)[*:1]
CCC(=O)N[C@H]1CCCN(C(=O)NCCn2cnnc2CC)C1 CCc1nncn1[*:1] CCC(=O)N[C@H]1CCCN(C1)C(=O)NCC[*:1]
OCC[NH2+]Cc1nccc2ccccc12 OCC[*:1] c1ccc2c(C[NH2+][*:1])nccc2c1
CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc(CC(F)(F)F)c1 FC(F)(F)C[*:1] CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc(CC(F)(F)F)c1 CC[C@H](C)[*:1] NC(=O)N[C@H](C(=O)Nc1cccc(c1)CC(F)(F)F)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc(CC(F)(F)F)c1 NC(=O)N[*:1] CC[C@H](C)[C@H](C(=O)Nc1cccc(c1)CC(F)(F)F)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc(CC(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc(c1)C[*:1]
Cc1ccccc1[C@@H](C)NC(=O)c1cccc(S(N)(=O)=O)c1 Cc1ccccc1[*:1] C[C@@H](NC(=O)c1cccc(c1)S(N)(=O)=O)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] Cc1ccccc1[C@@H](C)NC(=O)c1cccc(c1)[*:1]
CC[C@H](C)Oc1ccc(C#N)c(N)c1 CC[C@H](C)[*:1] N#Cc1ccc(cc1N)O[*:1]
C=CCCCOc1nc(Cl)nc(OCC)n1 C=CCC[*:1] CCOc1nc(Cl)nc(n1)OC[*:1]
C=CCCCOc1nc(Cl)nc(OCC)n1 CCO[*:1] C=CCCCOc1nc(Cl)nc(n1)[*:1]
C=CCCCOc1nc(Cl)nc(OCC)n1 C=CC[*:1] CCOc1nc(Cl)nc(n1)OCC[*:1]
C=CCCCOc1nc(Cl)nc(OCC)n1 C=CCCC[*:1] CCOc1nc(Cl)nc(n1)O[*:1]
C[C@@H]([NH2+]Cc1ccnc(OCC(F)F)c1)C1CCC1 FC(F)C[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)O[*:1])C1CCC1
C[C@@H]([NH2+]Cc1ccnc(OCC(F)F)c1)C1CCC1 C1CC(C1)[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)OCC(F)F)[*:1]
C[C@@H]([NH2+]Cc1ccnc(OCC(F)F)c1)C1CCC1 FC(F)CO[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)[*:1])C1CCC1
C[C@@H]([NH2+]Cc1ccnc(OCC(F)F)c1)C1CCC1 FC(F)[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)OC[*:1])C1CCC1
C[C@H]1CN(c2ccc(S(N)(=O)=O)cn2)CC[C@@H]1[NH3+] NS(=O)(=O)[*:1] C[C@H]1CN(CC[C@@H]1[NH3+])c1ccc(cn1)[*:1]
CS(=O)(=O)CCN1CCN(c2ncccc2F)CC1 CS(=O)(=O)C[*:1] Fc1cccnc1N1CCN(CC1)C[*:1]
CS(=O)(=O)CCN1CCN(c2ncccc2F)CC1 CS(=O)(=O)[*:1] Fc1cccnc1N1CCN(CC1)CC[*:1]
CS(=O)(=O)CCN1CCN(c2ncccc2F)CC1 CS(=O)(=O)CC[*:1] Fc1cccnc1N1CCN(CC1)[*:1]
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[*:1]
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(Cl)nc1 Clc1ccc(cn1)C[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[*:1]
C/C(=N/[n+]1c(-c2ccc(Cl)cc2)csc1NC(C)C)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CC(=N[n+]1c(csc1NC(C)C)-c1ccc(Cl)cc1)[*:1]
C/C(=N/[n+]1c(-c2ccc(Cl)cc2)csc1NC(C)C)c1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] C/C(=N/[n+]1c(csc1NC(C)C)[*:1])c1ccc2OCOc2c1
C/C(=N/[n+]1c(-c2ccc(Cl)cc2)csc1NC(C)C)c1ccc2c(c1)OCO2 CC(C)N[*:1] C/C(=N/[n+]1c(csc1[*:1])-c1ccc(Cl)cc1)c1ccc2OCOc2c1
C/C(=N/[n+]1c(-c2ccc(Cl)cc2)csc1NC(C)C)c1ccc2c(c1)OCO2 CC(C)[*:1] C/C(=N/[n+]1c(csc1N[*:1])-c1ccc(Cl)cc1)c1ccc2OCOc2c1
N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccco2)cc1)c1nc([O-])c2ccccc2n1 C(=C[*:1])c1ccco1 N#C/C(=C\c1ccc(cc1)OC(=O)[*:1])c1nc([O-])c2ccccc2n1
N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccco2)cc1)c1nc([O-])c2ccccc2n1 c1coc(c1)[*:1] N#C/C(=C\c1ccc(cc1)OC(=O)C=C[*:1])c1nc([O-])c2ccccc2n1
N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccco2)cc1)c1nc([O-])c2ccccc2n1 O=C(/C=C/c1ccco1)O[*:1] N#C/C(=C\c1ccc(cc1)[*:1])c1nc([O-])c2ccccc2n1
C[C@@H](C(=O)N(C)CCC#N)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](C(=O)N(C)CCC#N)[*:1]
C[C@@H](C(=O)N(C)CCC#N)S(C)(=O)=O N#CC[*:1] C[C@@H](C(=O)N(C)C[*:1])S(C)(=O)=O
C[C@@H](C(=O)N(C)CCC#N)S(C)(=O)=O N#CCC[*:1] C[C@@H](C(=O)N(C)[*:1])S(C)(=O)=O
CC(C)[C@@H]1Cc2c(sc3[nH]c(=S)n(CCc4ccccc4)c(=O)c23)CO1 c1ccc(cc1)C[*:1] CC(C)[C@@H]1Cc2c(CO1)sc1[nH]c(=S)n(C[*:1])c(=O)c21
CC(C)[C@@H]1Cc2c(sc3[nH]c(=S)n(CCc4ccccc4)c(=O)c23)CO1 c1ccc(cc1)[*:1] CC(C)[C@@H]1Cc2c(CO1)sc1[nH]c(=S)n(CC[*:1])c(=O)c21
CC(C)[C@@H]1Cc2c(sc3[nH]c(=S)n(CCc4ccccc4)c(=O)c23)CO1 c1ccc(cc1)CC[*:1] CC(C)[C@@H]1Cc2c(CO1)sc1[nH]c(=S)n(c(=O)c21)[*:1]
CC(C)[C@@H]1Cc2c(sc3[nH]c(=S)n(CCc4ccccc4)c(=O)c23)CO1 CC(C)[*:1] O=c1c2c3C[C@H](OCc3sc2[nH]c(=S)n1CCc1ccccc1)[*:1]
Cc1cc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)[*:1]
COc1ccc([C@H]2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@H]1N(CCN1S(=O)(=O)c1ccc(C)c(c1)[*:1])C(C)=O
COc1ccc([C@H]2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 COc1ccc(cc1)[*:1] CC(=O)N1CCN([C@H]1[*:1])S(=O)(=O)c1ccc(C)c(c1)[N+](=O)[O-]
COc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)o1 Fc1ccc(cc1F)C[*:1] COc1ccc(o1)C(=O)N1CCC[C@H](CCC(=O)N[*:1])C1
COc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)o1 Fc1ccc(cc1F)[*:1] COc1ccc(o1)C(=O)N1CCC[C@H](CCC(=O)NC[*:1])C1
COc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)o1 COc1ccc(o1)[*:1] O=C(CC[C@H]1CCCN(C1)C(=O)[*:1])NCc1ccc(F)c(F)c1
O=C([O-])c1cc(F)cc(-c2ccnc(C(=O)[O-])c2)c1 O=C([O-])[*:1] O=C([O-])c1cc(ccn1)-c1cc(F)cc(c1)[*:1]
O=C([O-])c1cc(F)cc(-c2ccnc(C(=O)[O-])c2)c1 O=C([O-])[*:1] O=C([O-])c1cc(F)cc(c1)-c1ccnc(c1)[*:1]
CO[C@@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)c1cn(C[*:1])nn1
CO[C@@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)C[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)c1cn(nn1)[*:1]
COc1ccc(-c2cc(C[C@@H]3C[C@H](NC(=O)C4CC4)C3(C)C)no2)cc1 COc1ccc(cc1)[*:1] CC1(C)[C@H](Cc2cc(on2)[*:1])C[C@@H]1NC(=O)C1CC1
COc1ccc(-c2cc(C[C@@H]3C[C@H](NC(=O)C4CC4)C3(C)C)no2)cc1 O=C(N[*:1])C1CC1 COc1ccc(cc1)-c1cc(C[C@@H]2C[C@H](C2(C)C)[*:1])no1
COc1ccc(-c2cc(C[C@@H]3C[C@H](NC(=O)C4CC4)C3(C)C)no2)cc1 C1CC1[*:1] COc1ccc(cc1)-c1cc(C[C@@H]2C[C@H](NC(=O)[*:1])C2(C)C)no1
Cc1cnc(-c2cccc(NC(=O)NC[C@@H](C)N3CCOCC3)c2)o1 C[C@@H](N1CCOCC1)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)NC[*:1]
Cc1cnc(-c2cccc(NC(=O)NC[C@@H](C)N3CCOCC3)c2)o1 C1CN(CCO1)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)NC[C@@H](C)[*:1]
Cc1cnc(-c2cccc(NC(=O)NC[C@@H](C)N3CCOCC3)c2)o1 Cc1cnc(o1)[*:1] C[C@H](CNC(=O)Nc1cccc(c1)[*:1])N1CCOCC1
Cc1cc(C)cc(OCC(=O)NC[C@H](c2c(F)cccc2Cl)N(C)C)c1 Fc1cccc(Cl)c1[*:1] Cc1cc(C)cc(c1)OCC(=O)NC[C@H](N(C)C)[*:1]
Cc1cc(C)cc(OCC(=O)NC[C@H](c2c(F)cccc2Cl)N(C)C)c1 Cc1cc(C)cc(c1)[*:1] CN(C)[C@H](CNC(=O)CO[*:1])c1c(F)cccc1Cl
Cc1cc(C)cc(OCC(=O)NC[C@H](c2c(F)cccc2Cl)N(C)C)c1 CN(C)[*:1] Cc1cc(C)cc(c1)OCC(=O)NC[C@H](c1c(F)cccc1Cl)[*:1]
O=C(Nc1cc(-c2ccncc2)n[nH]1)[C@H]1CO[C@H]2C=CC=C[C@@H]2O1 c1cc(ccn1)[*:1] O=C(Nc1cc(n[nH]1)[*:1])[C@H]1CO[C@H]2C=CC=C[C@@H]2O1
O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(COc1ccc(cc1Cl)[N+](=O)[O-])c1ccc(cc1)[*:1]
O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1 O=[N+]([O-])[*:1] O=C(COc1ccc(cc1Cl)[*:1])c1ccc(cc1)OC(F)F
O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(COc1ccc(cc1Cl)[N+](=O)[O-])c1ccc(cc1)O[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)Sc2ccccc2Cl)s1 Clc1ccccc1[*:1] CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)S[*:1])s1
CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)Sc2ccccc2Cl)s1 Clc1ccccc1S[*:1] CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)[*:1])s1
CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)Sc2ccccc2Cl)s1 CNS(=O)(=O)[*:1] C[C@H](Sc1ccccc1Cl)C(=O)NCc1ccc(s1)[*:1]
CCn1ccnc(N2CCC[C@H](n3cccn3)C2)c1=O c1cnn(c1)[*:1] CCn1ccnc(c1=O)N1CCC[C@H](C1)[*:1]
CCCCSc1ccccc1C(=O)[O-] O=C([O-])[*:1] CCCCSc1ccccc1[*:1]
CCCCSc1ccccc1C(=O)[O-] CCCC[*:1] O=C([O-])c1ccccc1S[*:1]
CCCCSc1ccccc1C(=O)[O-] CCC[*:1] O=C([O-])c1ccccc1SC[*:1]
CCCCCNC(=O)c1ccc(NC(=O)c2ccco2)cc1 CCCC[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)c1ccco1
CCCCCNC(=O)c1ccc(NC(=O)c2ccco2)cc1 CCC[*:1] O=C(NCC[*:1])c1ccc(cc1)NC(=O)c1ccco1
CCCCCNC(=O)c1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CCCCCNC(=O)c1ccc(cc1)NC(=O)[*:1]
CCCCCNC(=O)c1ccc(NC(=O)c2ccco2)cc1 CCCCC[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1ccco1
CC[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)C1(CCOCC1)c1ccccc1)[*:1]
CC[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)C(=O)OC c1ccc(cc1)[*:1] CC[C@@H](NC(=O)C1(CCOCC1)[*:1])C(=O)OC
CC[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)C(=O)OC CC[C@@H](C(=O)OC)[*:1] O=C(N[*:1])C1(CCOCC1)c1ccccc1
O=C(Nc1cnn(CC(F)F)c1)N1CCC([C@H](O)c2ccccc2)CC1 FC(F)[*:1] O=C(Nc1cnn(c1)C[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
O=C(Nc1cnn(CC(F)F)c1)N1CCC([C@H](O)c2ccccc2)CC1 O[C@H](c1ccccc1)[*:1] O=C(Nc1cnn(c1)CC(F)F)N1CCC(CC1)[*:1]
O=C(Nc1cnn(CC(F)F)c1)N1CCC([C@H](O)c2ccccc2)CC1 FC(F)C[*:1] O=C(Nc1cnn(c1)[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
O=C(Nc1cnn(CC(F)F)c1)N1CCC([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)CC(F)F)N1CCC(CC1)[C@H](O)[*:1]
c1cncc(-c2ccc3oc(CN4CC[NH2+]CC4)cc3c2)c1 c1cncc(c1)[*:1] c1cc2oc(cc2cc1[*:1])CN1CC[NH2+]CC1
Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC(C)C CC(C)C[*:1] Cc1[nH]c2ccccc2c1C(=O)C(=O)N[*:1]
Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC(C)C CC(C)[*:1] Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[*:1]
O=C1S/C(=C\c2cccc(Br)c2)C(=O)N1CNc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C1S/C(=C\c2cccc(Br)c2)C(=O)N1CN[*:1]
O=C1S/C(=C\c2cccc(Br)c2)C(=O)N1CNc1cccc(Br)c1 Brc1cccc(c1)N[*:1] O=C1S/C(=C\c2cccc(Br)c2)C(=O)N1C[*:1]
O=C1S/C(=C\c2cccc(Br)c2)C(=O)N1CNc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C1SC(=C[*:1])C(=O)N1CNc1cccc(Br)c1
CC[C@@H](C)N(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 CC[C@@H](C)[*:1] O=C1NC2(CCCCC2)C(=O)N1CC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC[C@@H](C)N(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC[C@@H](C)N(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)Oc1ccc2ccccc2c1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1Cl)[*:1])Oc1ccc2ccccc2c1
Cc1ncc(C[NH+](C)Cc2nccn2Cc2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ncc(C[NH+](C)Cc2nccn2Cc2ccccc2)n1[*:1]
Cc1ncc(C[NH+](C)Cc2nccn2Cc2ccccc2)n1-c1ccccc1 c1ccc(cc1)C[*:1] Cc1ncc(C[NH+](C)Cc2nccn2[*:1])n1-c1ccccc1
Cc1ncc(C[NH+](C)Cc2nccn2Cc2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ncc(C[NH+](C)Cc2nccn2C[*:1])n1-c1ccccc1
COc1cccc([C@H](C)Sc2nnc(-c3ccco3)n2N)c1 c1coc(c1)[*:1] COc1cccc(c1)[C@H](C)Sc1nnc(n1N)[*:1]
CC1=C(NC(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C)cc2)NC(=O)N1 Cc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1NC(=O)c1ccc(Cl)cc1)[*:1]
CC1=C(NC(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C)cc2)NC(=O)N1 Clc1ccc(cc1)[*:1] CC1NC(=O)N[C@@H](C=1NC(=O)[*:1])c1ccc(C)cc1
NC1=[NH+]C[C@]2(COc3cc(O)ccc32)N1Cc1cccs1 c1csc(c1)C[*:1] NC1=[NH+]C[C@]2(COc3cc(O)ccc32)N1[*:1]
NC1=[NH+]C[C@]2(COc3cc(O)ccc32)N1Cc1cccs1 c1csc(c1)[*:1] NC1=[NH+]C[C@]2(COc3cc(O)ccc32)N1C[*:1]
CCn1nnc2cc(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)ccc21 C1CO[C@@H](C1)C[*:1] CCn1nnc2cc(ccc21)C(=O)N1CCN(CC1)[*:1]
C/C(=N\N=C1\N=C(O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S1)c1ccccc1 c1ccc(cc1)[*:1] CC(=N/N=C1/N=C(O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S1)[*:1]
C/C(=N\N=C1\N=C(O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S1)c1ccccc1 Clc1ccc(cc1)[*:1] C/C(=N\N=C1\N=C(O)[C@@H](CC(=O)N[*:1])S1)c1ccccc1
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Oc1ccc(-c2ccccc2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Oc1ccc(cc1)-c1ccccc1
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Oc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccc(cc1)S(=O)(=O)N1CCOCC1)Oc1ccc(cc1)[*:1]
CC(C)NC(=O)CCNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 CC(C)[*:1] CC(C)NC(=O)CCNC(=O)N1CC[NH+](CC1)C1CCC(CC1)[*:1]
CC(C)NC(=O)CCNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 CC(C)NC(=O)CC[*:1] CC(C)C1CCC(CC1)[NH+]1CCN(CC1)C(=O)N[*:1]
CC(C)NC(=O)CCNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 CC(C)NC(=O)C[*:1] CC(C)C1CCC(CC1)[NH+]1CCN(CC1)C(=O)NC[*:1]
CC(C)NC(=O)CCNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 CC(C)[*:1] CC(C)C1CCC(CC1)[NH+]1CCN(CC1)C(=O)NCCC(=O)N[*:1]
CC(C)NC(=O)CCNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 CC(C)NC(=O)[*:1] CC(C)C1CCC(CC1)[NH+]1CCN(CC1)C(=O)NCC[*:1]
Cc1cc(NC(=O)NCC(=O)Nc2c(C)cccc2C)c2ncccc2c1 Cc1cccc(C)c1[*:1] Cc1cc(NC(=O)NCC(=O)N[*:1])c2ncccc2c1
CCC(CC)NC(=O)[C@@H](C)Nc1nc2ccccc2s1 CCC(CC)[*:1] C[C@@H](Nc1nc2ccccc2s1)C(=O)N[*:1]
CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](C(N)=O)O1 CC(C)CC[*:1] C[C@@H]([NH2+]C[C@@H]1CC[C@@H](O1)C(N)=O)[*:1]
CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](C(N)=O)O1 NC(=O)[*:1] CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](O1)[*:1]
CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](C(N)=O)O1 CC(C)[*:1] C[C@H](CC[*:1])[NH2+]C[C@@H]1CC[C@@H](O1)C(N)=O
CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](C(N)=O)O1 CC(C)C[*:1] C[C@H](C[*:1])[NH2+]C[C@@H]1CC[C@@H](O1)C(N)=O
C[C@@H](C#N)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl C[C@@H](C#N)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)S(=O)(=O)NC[*:1]
C[C@@H](C#N)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] C[C@@H](C#N)CNS(=O)(=O)c1cc(ccc1Cl)[*:1]
COC(=O)c1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 COC(=O)[*:1] O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 Clc1ccc(cc1Cl)[*:1] COC(=O)c1ccc(cc1)C(=O)NC(=S)N[*:1]
CCC[C@@](C)(NC(=O)c1csc(-c2cccs2)n1)C(=O)OC CCC[*:1] COC(=O)[C@@](C)(NC(=O)c1csc(n1)-c1cccs1)[*:1]
CCC[C@@](C)(NC(=O)c1csc(-c2cccs2)n1)C(=O)OC COC(=O)[*:1] CCC[C@@](C)(NC(=O)c1csc(n1)-c1cccs1)[*:1]
CCC[C@@](C)(NC(=O)c1csc(-c2cccs2)n1)C(=O)OC c1csc(c1)[*:1] CCC[C@@](C)(NC(=O)c1csc(n1)[*:1])C(=O)OC
CS[C@H](C)C(=O)N(C)Cc1csc2ccccc12 CS[C@H](C)[*:1] CN(Cc1csc2ccccc12)C(=O)[*:1]
C[C@H](c1ccc(Cl)cc1)S(=O)(=O)CC(=O)N(Cc1ccccc1)C1CC1 C1CC1[*:1] C[C@H](c1ccc(Cl)cc1)S(=O)(=O)CC(=O)N(Cc1ccccc1)[*:1]
C[C@H](c1ccc(Cl)cc1)S(=O)(=O)CC(=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] C[C@H](c1ccc(Cl)cc1)S(=O)(=O)CC(=O)N(C[*:1])C1CC1
C[C@H](c1ccc(Cl)cc1)S(=O)(=O)CC(=O)N(Cc1ccccc1)C1CC1 Clc1ccc(cc1)[*:1] C[C@H](S(=O)(=O)CC(=O)N(Cc1ccccc1)C1CC1)[*:1]
C[C@H](c1ccc(Cl)cc1)S(=O)(=O)CC(=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] C[C@H](c1ccc(Cl)cc1)S(=O)(=O)CC(=O)N(C1CC1)[*:1]
Cc1cc(C)cc(N(C)S(=O)(=O)c2nnc(NC(=O)[C@@H](C)Oc3ccccc3)s2)c1 C[C@@H](Oc1ccccc1)[*:1] Cc1cc(C)cc(c1)N(C)S(=O)(=O)c1nnc(NC(=O)[*:1])s1
Cc1cc(C)cc(N(C)S(=O)(=O)c2nnc(NC(=O)[C@@H](C)Oc3ccccc3)s2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)N(C)S(=O)(=O)c1nnc(NC(=O)[C@@H](C)O[*:1])s1
Cc1cc(C)cc(N(C)S(=O)(=O)c2nnc(NC(=O)[C@@H](C)Oc3ccccc3)s2)c1 c1ccc(cc1)O[*:1] Cc1cc(C)cc(c1)N(C)S(=O)(=O)c1nnc(NC(=O)[C@@H](C)[*:1])s1
Cc1cc(C)cc(N(C)S(=O)(=O)c2nnc(NC(=O)[C@@H](C)Oc3ccccc3)s2)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(s1)S(=O)(=O)N(C)[*:1]
Cc1nn(C)c(Oc2ccccc2)c1C[NH2+][C@H](C)c1cccnc1 c1ccc(cc1)O[*:1] Cc1nn(C)c(c1C[NH2+][C@H](C)c1cccnc1)[*:1]
Cc1nn(C)c(Oc2ccccc2)c1C[NH2+][C@H](C)c1cccnc1 c1cncc(c1)[*:1] Cc1nn(C)c(Oc2ccccc2)c1C[NH2+][C@H](C)[*:1]
Cc1nn(C)c(Oc2ccccc2)c1C[NH2+][C@H](C)c1cccnc1 c1ccc(cc1)[*:1] Cc1nn(C)c(O[*:1])c1C[NH2+][C@H](C)c1cccnc1
CNC(=O)c1sc2ccccc2c1[C@H]1CN(S(=O)(=O)c2cc(C)ccc2F)CCO1 CNC(=O)[*:1] Cc1ccc(F)c(c1)S(=O)(=O)N1CCO[C@H](C1)c1c(sc2ccccc12)[*:1]
CNC(=O)c1sc2ccccc2c1[C@H]1CN(S(=O)(=O)c2cc(C)ccc2F)CCO1 Cc1ccc(F)c(c1)[*:1] CNC(=O)c1sc2ccccc2c1[C@H]1CN(CCO1)S(=O)(=O)[*:1]
Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H](O)c2ccc(Cl)cc2)sc1C Clc1ccc(cc1)[*:1] Cc1cc(sc1C)S(=O)(=O)N[C@@H](C)[C@@H](O)[*:1]
Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H](O)c2ccc(Cl)cc2)sc1C Cc1cc(sc1C)[*:1] C[C@H](NS(=O)(=O)[*:1])[C@@H](O)c1ccc(Cl)cc1
CC[C@H]1C[NH2+][C@@H](C(C)C)CN1CCc1ccc(F)cc1C CC(C)[*:1] CC[C@H]1C[NH2+][C@@H](CN1CCc1ccc(F)cc1C)[*:1]
O=C(CCC1=c2ccccc2=[NH+]C1)NCc1coc(-c2cccs2)n1 c1csc(c1)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)NCc1coc(n1)[*:1]
COC(C)(C)CNC(=O)N1CCSCC1 COC(C)(C)[*:1] O=C(NC[*:1])N1CCSCC1
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(C)Cc1ccccc1F CC(C)[*:1] Cc1cc(ccc1NC(=O)N(C)Cc1ccccc1F)C(=O)NC[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(C)Cc1ccccc1F Fc1ccccc1[*:1] Cc1cc(ccc1NC(=O)N(C)C[*:1])C(=O)NCC(C)C
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(C)Cc1ccccc1F CC(C)CNC(=O)[*:1] Cc1cc(ccc1NC(=O)N(C)Cc1ccccc1F)[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(C)Cc1ccccc1F CC(C)C[*:1] Cc1cc(ccc1NC(=O)N(C)Cc1ccccc1F)C(=O)N[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(C)Cc1ccccc1F Fc1ccccc1C[*:1] Cc1cc(ccc1NC(=O)N(C)[*:1])C(=O)NCC(C)C
CS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(s1)[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 CS(=O)(=O)[*:1] O=C(Nc1nnc(s1)-c1ccccc1)c1ccc(cc1)[*:1]
CNC(=O)Cc1ccccc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 CNC(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Nc1ccccc1C[*:1]
CNC(=O)Cc1ccccc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 CNC(=O)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Nc1ccccc1[*:1]
Cc1ccc(C)c(OC[C@H](O)Cn2nc(C)c(S(=O)(=O)N3CCc4ccccc43)c2C)c1 Cc1ccc(C)c(c1)O[*:1] Cc1nn(C[C@@H](O)C[*:1])c(C)c1S(=O)(=O)N1CCc2ccccc21
Cc1ccc(C)c(OC[C@H](O)Cn2nc(C)c(S(=O)(=O)N3CCc4ccccc43)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1nn(C[C@@H](O)CO[*:1])c(C)c1S(=O)(=O)N1CCc2ccccc21
Cc1ccc(C)c(OC[C@H](O)Cn2nc(C)c(S(=O)(=O)N3CCc4ccccc43)c2C)c1 Cc1ccc(C)c(c1)OC[*:1] Cc1nn(C[C@@H](O)[*:1])c(C)c1S(=O)(=O)N1CCc2ccccc21
CN(C[C@H](O)C1CC1)C(=O)c1cc(C(C)(C)C)nn1C O[C@@H](C[*:1])C1CC1 CN(C(=O)c1cc(nn1C)C(C)(C)C)[*:1]
CN(C[C@H](O)C1CC1)C(=O)c1cc(C(C)(C)C)nn1C C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)c1cc(nn1C)C(C)(C)C
CN(C[C@H](O)C1CC1)C(=O)c1cc(C(C)(C)C)nn1C CC(C)(C)[*:1] CN(C[C@H](O)C1CC1)C(=O)c1cc(nn1C)[*:1]
CN(C[C@H](O)C1CC1)C(=O)c1cc(C(C)(C)C)nn1C O[C@H](C1CC1)[*:1] CN(C[*:1])C(=O)c1cc(nn1C)C(C)(C)C
CC/C(=C\c1ccc(OC(F)F)cc1)C[NH2+]C FC(F)[*:1] CC/C(=C\c1ccc(cc1)O[*:1])C[NH2+]C
CC/C(=C\c1ccc(OC(F)F)cc1)C[NH2+]C FC(F)O[*:1] CC/C(=C\c1ccc(cc1)[*:1])C[NH2+]C
NC(=O)CSc1ccccn1 NC(=O)[*:1] c1ccc(nc1)SC[*:1]
OCC1CCN(c2[nH+]cccc2NCc2cnc(C3CC3)s2)CC1 C1CC1[*:1] OCC1CCN(CC1)c1[nH+]cccc1NCc1cnc(s1)[*:1]
OCC1CCN(c2[nH+]cccc2NCc2cnc(C3CC3)s2)CC1 OCC1CCN(CC1)[*:1] c1c[nH+]c(c(c1)NCc1cnc(s1)C1CC1)[*:1]
OCC1CCN(c2[nH+]cccc2NCc2cnc(C3CC3)s2)CC1 c1nc(sc1[*:1])C1CC1 OCC1CCN(CC1)c1[nH+]cccc1NC[*:1]
CCCC(=O)Oc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1 CCC[*:1] O=C1N[C@@H](Oc2ccccc21)c1ccc(cc1)OC(=O)[*:1]
CCCC(=O)Oc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1 CCCC(=O)O[*:1] O=C1N[C@@H](Oc2ccccc21)c1ccc(cc1)[*:1]
CC[NH+](CC(=O)NC1CCCC1)CC1CC[NH2+]CC1 C1CCC(C1)[*:1] CC[NH+](CC(=O)N[*:1])CC1CC[NH2+]CC1
O=C(NCc1ccccc1CN1CCOCC1)N1C[C@H]2CCCC[C@H]2C1 C1CN(CCO1)C[*:1] O=C(NCc1ccccc1[*:1])N1C[C@H]2CCCC[C@H]2C1
O=C(NCc1ccccc1CN1CCOCC1)N1C[C@H]2CCCC[C@H]2C1 C1CN(CCO1)[*:1] O=C(NCc1ccccc1C[*:1])N1C[C@H]2CCCC[C@H]2C1
CC[C@@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)NC(C)C)c1 CC(C)NC(=O)[*:1] CC[C@@H](C)[NH2+]CC(=O)Nc1cccc(c1)[*:1]
CC[C@@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)NC(C)C)c1 CC(C)[*:1] CC[C@@H](C)[NH2+]CC(=O)Nc1cccc(c1)C(=O)N[*:1]
COc1ccc(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)c(Cl)c1 O=C(N1CCCC1)[*:1] COc1ccc(C[NH+]2CCN(CC2)[C@H](C)[*:1])c(Cl)c1
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(F)ccc2O)c1 Oc1ccc(F)cc1[*:1] CC[C@H](C#N)Oc1cccc(c1)CNC(=O)[*:1]
CCOCCN(C)c1ncccc1C(F)(F)F CCO[*:1] CN(CC[*:1])c1ncccc1C(F)(F)F
CCOCCN(C)c1ncccc1C(F)(F)F CCOC[*:1] CN(C[*:1])c1ncccc1C(F)(F)F
CCOCCN(C)c1ncccc1C(F)(F)F CCOCC[*:1] CN(c1ncccc1C(F)(F)F)[*:1]
CCOCCN(C)c1ncccc1C(F)(F)F FC(F)(F)[*:1] CCOCCN(C)c1ncccc1[*:1]
N#Cc1ccc(NCCCC(=O)NC2CC2)c(Cl)c1 O=C(NC1CC1)[*:1] N#Cc1ccc(NCCC[*:1])c(Cl)c1
N#Cc1ccc(NCCCC(=O)NC2CC2)c(Cl)c1 C1CC1[*:1] N#Cc1ccc(NCCCC(=O)N[*:1])c(Cl)c1
Cc1ccc2ncc(C(=O)Nc3cc(-c4ccccc4C)nn3C)n2c1 Cc1ccccc1[*:1] Cc1ccc2ncc(C(=O)Nc3cc(nn3C)[*:1])n2c1
C[C@@H]1CCCN(C(=O)Nc2cccc(/C(N)=N/O)c2)C1 N/C(=N\O)[*:1] C[C@@H]1CCCN(C1)C(=O)Nc1cccc(c1)[*:1]
CC(C)COc1cccc(CNC(=O)Nc2nc(C(C)C)nn2C)c1 CC(C)[*:1] CC(C)COc1cccc(c1)CNC(=O)Nc1nc(nn1C)[*:1]
CC(C)COc1cccc(CNC(=O)Nc2nc(C(C)C)nn2C)c1 CC(C)C[*:1] CC(C)c1nc(NC(=O)NCc2cccc(c2)O[*:1])n(C)n1
CC(C)COc1cccc(CNC(=O)Nc2nc(C(C)C)nn2C)c1 CC(C)CO[*:1] CC(C)c1nc(NC(=O)NCc2cccc(c2)[*:1])n(C)n1
CC(C)COc1cccc(CNC(=O)Nc2nc(C(C)C)nn2C)c1 CC(C)[*:1] CC(C)c1nc(NC(=O)NCc2cccc(c2)OC[*:1])n(C)n1
Cc1ccc(/C=C/c2nnc(-c3ccc(C)cc3)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(/C=C/c2nnc(o2)[*:1])cc1
Cc1ccc(/C=C/c2nnc(-c3ccc(C)cc3)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(C=C[*:1])o1
C[C@H]1[C@@H](C(=O)COC(=O)c2ccc(Cl)s2)C[C@@H](C)N1c1ncn[nH]1 c1n[nH]c(n1)[*:1] C[C@H]1[C@H](C[C@@H](C)N1[*:1])C(=O)COC(=O)c1ccc(Cl)s1
C[C@H]1[C@@H](C(=O)COC(=O)c2ccc(Cl)s2)C[C@@H](C)N1c1ncn[nH]1 Clc1ccc(s1)[*:1] C[C@H]1[C@H](C[C@@H](C)N1c1ncn[nH]1)C(=O)COC(=O)[*:1]
O=C(CCNC(=O)N1CCN(c2ccc(F)cn2)CC1)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(NCC[*:1])N1CCN(CC1)c1ccc(F)cn1
O=C(CCNC(=O)N1CCN(c2ccc(F)cn2)CC1)NC1CCCCC1 Fc1ccc(nc1)[*:1] O=C(CCNC(=O)N1CCN(CC1)[*:1])NC1CCCCC1
O=C(CCNC(=O)N1CCN(c2ccc(F)cn2)CC1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCNC(=O)N1CCN(CC1)c1ccc(F)cn1)N[*:1]
CC(=O)c1csc(N2CCC(C)(C)C2)n1 CC(=O)[*:1] CC1(C)CCN(C1)c1nc(cs1)[*:1]
COCCN(C(=O)NCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] COCCN(C(=O)NCC[*:1])[C@@H]1CCS(=O)(=O)C1
COCCN(C(=O)NCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)C[*:1] COCCN(C(=O)NC[*:1])[C@@H]1CCS(=O)(=O)C1
COCCN(C(=O)NCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] O=C(NCCC1CCCC1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COCCN(C(=O)NCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)CC[*:1] COCCN(C(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
COCCN(C(=O)NCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 COC[*:1] O=C(NCCC1CCCC1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COCCN(C(=O)NCCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] COCCN(C(=O)NCCC1CCCC1)[*:1]
CSC[C@@H](C)NC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 CSC[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)N[C@H](C)[*:1])c(C)o1
CSC[C@@H](C)NC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 Cc1cc(c(C)o1)[*:1] CSC[C@@H](C)NC(=O)N1CCN(CC1)C(=O)[*:1]
CCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C)cc3C)n2)cc1 CCCO[*:1] Cc1ccc(NC(=O)Cn2nnc(n2)-c2ccc(cc2)[*:1])c(C)c1
CCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C)cc3C)n2)cc1 Cc1ccc(c(C)c1)[*:1] CCCOc1ccc(cc1)-c1nnn(CC(=O)N[*:1])n1
CCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C)cc3C)n2)cc1 CCC[*:1] Cc1ccc(NC(=O)Cn2nnc(n2)-c2ccc(cc2)O[*:1])c(C)c1
Cc1c(C#N)c(NC(=O)CN2C[C@@H](C(N)=O)Oc3ccccc32)n(Cc2ccco2)c1C NC(=O)[*:1] Cc1c(C#N)c(NC(=O)CN2C[C@@H](Oc3ccccc32)[*:1])n(Cc2ccco2)c1C
Cc1c(C#N)c(NC(=O)CN2C[C@@H](C(N)=O)Oc3ccccc32)n(Cc2ccco2)c1C c1coc(c1)C[*:1] Cc1c(C#N)c(NC(=O)CN2C[C@H](Oc3ccccc32)C(N)=O)n(c1C)[*:1]
Cc1c(C#N)c(NC(=O)CN2C[C@@H](C(N)=O)Oc3ccccc32)n(Cc2ccco2)c1C c1coc(c1)[*:1] Cc1c(C#N)c(NC(=O)CN2C[C@H](Oc3ccccc32)C(N)=O)n(C[*:1])c1C
CCc1ccsc1CNC(=O)CCSc1ccc(C#N)cc1 CCc1ccsc1[*:1] N#Cc1ccc(cc1)SCCC(=O)NC[*:1]
O=C(NCNS(=O)(=O)c1ccccc1)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(NCNS(=O)(=O)c1ccccc1)N[*:1]
O=C(NCNS(=O)(=O)c1ccccc1)Nc1ccccn1 c1ccc(cc1)[*:1] O=C(NCNS(=O)(=O)[*:1])Nc1ccccn1
C[C@@H](O)c1ccn(CCOC(F)(F)F)c1 FC(F)(F)O[*:1] C[C@@H](O)c1ccn(c1)CC[*:1]
C[C@@H](O)c1ccn(CCOC(F)(F)F)c1 C[C@@H](O)[*:1] FC(F)(F)OCCn1ccc(c1)[*:1]
C[C@@H](O)c1ccn(CCOC(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](O)c1ccn(c1)CCO[*:1]
COc1ccc(CN2C(=O)/C(=C/c3ccccc3C)c3ccccc3C2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1/C=C1/C(=O)N(C[*:1])C(=O)c2ccccc21
COc1ccc(CN2C(=O)/C(=C/c3ccccc3C)c3ccccc3C2=O)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)CN1C(=O)C(=C[*:1])c2ccccc2C1=O
COc1ccc(CN2C(=O)/C(=C/c3ccccc3C)c3ccccc3C2=O)cc1 COc1ccc(cc1)C[*:1] Cc1ccccc1/C=C1/C(=O)N(C(=O)c2ccccc21)[*:1]
Cc1ccc(-c2noc(CN(C)C(=O)c3cccc(OCc4ccccc4)c3)n2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1noc(CN(C)C(=O)c2cccc(c2)O[*:1])n1
Cc1ccc(-c2noc(CN(C)C(=O)c3cccc(OCc4ccccc4)c3)n2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1nc(no1)[*:1])C(=O)c1cccc(c1)OCc1ccccc1
Cc1ccc(-c2noc(CN(C)C(=O)c3cccc(OCc4ccccc4)c3)n2)cc1 c1ccc(cc1)CO[*:1] Cc1ccc(cc1)-c1noc(CN(C)C(=O)c2cccc(c2)[*:1])n1
Cc1ccc(-c2noc(CN(C)C(=O)c3cccc(OCc4ccccc4)c3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(CN(C)C(=O)c2cccc(c2)OC[*:1])n1
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCN(c4ncccn4)CC3)c2n1 c1cnc(nc1)[*:1] Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCN(CC3)[*:1])c2n1
C[C@@H]1CC(C(=O)NCc2cccc(COCc3ccccc3)c2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCc1cccc(c1)COC[*:1]
C[C@@H]1CC(C(=O)NCc2cccc(COCc3ccccc3)c2)C[C@@H](C)O1 c1ccc(cc1)C[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCc1cccc(c1)CO[*:1]
C[C@@H]1CC(C(=O)NCc2cccc(COCc3ccccc3)c2)C[C@@H](C)O1 c1ccc(cc1)COC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCc1cccc(c1)[*:1]
C[C@@H]1CC(C(=O)NCc2cccc(COCc3ccccc3)c2)C[C@@H](C)O1 c1ccc(cc1)CO[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCc1cccc(c1)C[*:1]
CN(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)C1CCCCCC1 C1CCCC(CC1)[*:1] CN(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)[*:1]
Cc1cc(=O)c(C(=O)Nc2ccc(Br)cc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)Nc1ccc(Br)cc1
Cc1cc(=O)c(C(=O)Nc2ccc(Br)cc2)nn1-c1ccccc1 Brc1ccc(cc1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)N[*:1]
CCCc1cc(NC(=O)N(C)Cc2csc3ccccc23)n(C)n1 CCC[*:1] CN(Cc1csc2ccccc12)C(=O)Nc1cc(nn1C)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)c2nc(C3CC3)n3ccccc23)cc1 C1CC1[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)c1nc(n2ccccc12)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)c2nc(C3CC3)n3ccccc23)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1nc(C2CC2)n2ccccc12
CC(C)C(=O)Nc1ccc(NC(=O)c2nc(C3CC3)n3ccccc23)cc1 CC(C)C(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1nc(C2CC2)n2ccccc12
C[C@@H](Cc1cnccn1)NC(=O)c1coc(CN2CCc3ccccc3C2)n1 c1cnc(cn1)[*:1] C[C@@H](C[*:1])NC(=O)c1coc(CN2CCc3ccccc3C2)n1
C[C@@H](Cc1cnccn1)NC(=O)c1coc(CN2CCc3ccccc3C2)n1 c1cnc(cn1)C[*:1] C[C@@H](NC(=O)c1coc(CN2CCc3ccccc3C2)n1)[*:1]
CC[C@H](C(=O)Nc1c(C)noc1C)n1ccc(C(=O)Nc2c(C)noc2C)n1 Cc1noc(C)c1[*:1] CC[C@H](C(=O)N[*:1])n1ccc(n1)C(=O)Nc1c(C)noc1C
CC[C@H](C(=O)Nc1c(C)noc1C)n1ccc(C(=O)Nc2c(C)noc2C)n1 Cc1noc(C)c1[*:1] CC[C@H](C(=O)Nc1c(C)noc1C)n1ccc(n1)C(=O)N[*:1]
CC1(C(/C=C/c2ccccc2)=N\NC(N)=S)CCCCC1 c1ccc(cc1)[*:1] CC1(CCCCC1)/C(C=C[*:1])=N\NC(N)=S
CC1(C(/C=C/c2ccccc2)=N\NC(N)=S)CCCCC1 CC1(CCCCC1)[*:1] NC(=S)NN=C(/C=C/c1ccccc1)[*:1]
CCCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2cc(Cl)ccc21 NC(=O)NC(=O)[*:1] CCCn1c(nc2cc(Cl)ccc21)S[C@@H](C(C)C)[*:1]
CCCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2cc(Cl)ccc21 CC(C)[*:1] CCCn1c(nc2cc(Cl)ccc21)S[C@@H](C(=O)NC(N)=O)[*:1]
CCCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2cc(Cl)ccc21 CCC[*:1] CC(C)[C@@H](Sc1nc2cc(Cl)ccc2n1[*:1])C(=O)NC(N)=O
Cc1ccc(C(=O)N(C)C)cc1NC(=O)CCOc1ccccc1F Fc1ccccc1[*:1] Cc1ccc(cc1NC(=O)CCO[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)CCOc1ccccc1F Fc1ccccc1O[*:1] Cc1ccc(cc1NC(=O)CC[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)CCOc1ccccc1F CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)CCOc1ccccc1F)[*:1]
COc1ccc(F)c(NC(=O)CCC[NH2+]C(C)C)c1 CC(C)[*:1] COc1ccc(F)c(c1)NC(=O)CCC[NH2+][*:1]
CCOC(=O)c1cc(=O)sc2[nH]c3ccccc3c12 CCOC(=O)[*:1] O=c1cc(c2c([nH]c3ccccc32)s1)[*:1]
COC(=O)[C@@]1(F)CCN(Cc2cccnc2C)C1 COC(=O)[*:1] Cc1ncccc1CN1CC[C@](F)(C1)[*:1]
CCC[C@@H](C)NC(=O)c1ccc(N(CC)CC)nc1 CCN(CC)[*:1] CCC[C@@H](C)NC(=O)c1ccc(nc1)[*:1]
CCC[C@@H](C)NC(=O)c1ccc(N(CC)CC)nc1 CCC[*:1] CCN(CC)c1ccc(cn1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)c1ccc(N(CC)CC)nc1 CCC[C@@H](C)[*:1] CCN(CC)c1ccc(cn1)C(=O)N[*:1]
CC(=O)N[C@@H](C(=O)NCc1ccc(C)cc1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)NCc1ccc(C)cc1)[*:1]
CC(=O)N[C@@H](C(=O)NCc1ccc(C)cc1)C(C)C CC(=O)N[*:1] Cc1ccc(cc1)CNC(=O)[C@@H](C(C)C)[*:1]
N#Cc1ccc(F)c(CNC(=O)NCc2ccccc2-n2cccn2)c1 c1cnn(c1)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)NCc1ccccc1[*:1]
O=C(Nc1ccccc1)N[C@@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCCc2ccccc21)N[*:1]
COc1cccc(CNC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c1 COc1cccc(c1)[*:1] O=C(CSc1ccc(nn1)-c1ccc(F)cc1)NC[*:1]
COc1cccc(CNC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)CSc1ccc(nn1)[*:1]
COc1cccc(CNC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c1 COc1cccc(c1)C[*:1] O=C(CSc1ccc(nn1)-c1ccc(F)cc1)N[*:1]
O=C(Cc1csc(N2CCCC2=O)n1)NCc1cn2ccsc2n1 O=C1CCCN1[*:1] O=C(Cc1csc(n1)[*:1])NCc1cn2ccsc2n1
O=C(Cc1csc(N2CCCC2=O)n1)NCc1cn2ccsc2n1 c1cn2cc(nc2s1)[*:1] O=C(Cc1csc(n1)N1CCCC1=O)NC[*:1]
C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)C(=O)OC(C)(C)C c1ccc(cc1)[*:1] C[C@@H](Nc1ncnc2c1cnn2[*:1])C(=O)OC(C)(C)C
C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)C(=O)O[*:1]
C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)C(=O)OC(C)(C)C CC(C)(C)OC(=O)[*:1] C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)[*:1]
CCC(CC)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 CCC(CC)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N[*:1]
Cc1ccccc1-c1nc(SCc2ccccc2)n2[nH]c(=O)cc2n1 c1ccc(cc1)CS[*:1] Cc1ccccc1-c1nc(n2[nH]c(=O)cc2n1)[*:1]
Cc1ccccc1-c1nc(SCc2ccccc2)n2[nH]c(=O)cc2n1 c1ccc(cc1)[*:1] Cc1ccccc1-c1nc(SC[*:1])n2[nH]c(=O)cc2n1
Cc1ccccc1-c1nc(SCc2ccccc2)n2[nH]c(=O)cc2n1 c1ccc(cc1)C[*:1] Cc1ccccc1-c1nc(S[*:1])n2[nH]c(=O)cc2n1
Cc1ccccc1-c1nc(SCc2ccccc2)n2[nH]c(=O)cc2n1 Cc1ccccc1[*:1] O=c1cc2nc(nc(SCc3ccccc3)n2[nH]1)[*:1]
O=C(Cc1ccc[nH]1)NCc1ccc(OCc2cccnc2)cc1 c1c[nH]c(c1)C[*:1] O=C(NCc1ccc(cc1)OCc1cccnc1)[*:1]
O=C(Cc1ccc[nH]1)NCc1ccc(OCc2cccnc2)cc1 c1cncc(c1)CO[*:1] O=C(Cc1ccc[nH]1)NCc1ccc(cc1)[*:1]
O=C(Cc1ccc[nH]1)NCc1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] O=C(Cc1ccc[nH]1)NCc1ccc(cc1)O[*:1]
O=C(Cc1ccc[nH]1)NCc1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] O=C(Cc1ccc[nH]1)NCc1ccc(cc1)OC[*:1]
O=C(Cc1ccc[nH]1)NCc1ccc(OCc2cccnc2)cc1 c1c[nH]c(c1)[*:1] O=C(C[*:1])NCc1ccc(cc1)OCc1cccnc1
CC(=O)c1ccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)cc1 CC(=O)[*:1] CC1(C)[C@H]2CC[C@]1(C)c1nc(nnc12)SCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)cc1 CC(=O)c1ccc(cc1)[*:1] CC1(C)[C@H]2CC[C@]1(C)c1nc(nnc12)SCC(=O)N[*:1]
C[C@H](NC(=O)c1[nH]nc(C2CC2)c1Cl)[C@@H]1CCCO1 C1CC1[*:1] C[C@H](NC(=O)c1[nH]nc(c1Cl)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)c1[nH]nc(C2CC2)c1Cl)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)c1[nH]nc(c1Cl)C1CC1)[*:1]
CO[C@]1(C)C[C@@H](NC(=O)CCn2cc(C)cn2)C1(C)C Cc1cnn(c1)[*:1] CO[C@]1(C)C[C@@H](NC(=O)CC[*:1])C1(C)C
C[C@@H]1CN(Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C(C)(C)CO1 CC(C)(C)[*:1] C[C@@H]1CN(Cc2nc(no2)C(C)(C)NC(=O)O[*:1])C(C)(C)CO1
C[C@@H]1CN(Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C(C)(C)CO1 CC(C)(C)OC(=O)N[*:1] C[C@@H]1CN(Cc2nc(no2)C(C)(C)[*:1])C(C)(C)CO1
O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(C[C@H]1CN(CCO1)Cc1ccccc1)N[C@@H](CO)[*:1]
O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N[C@@H](CO)c1ccco1 c1ccc(cc1)C[*:1] O=C(C[C@H]1CN(CCO1)[*:1])N[C@@H](CO)c1ccco1
O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N[C@@H](CO)c1ccco1 c1ccc(cc1)[*:1] O=C(C[C@H]1CN(CCO1)C[*:1])N[C@@H](CO)c1ccco1
COC(=O)c1ccccc1NC(=O)[C@H]1CC[C@@H](C[NH3+])O1 COC(=O)[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)Nc1ccccc1[*:1]
Cc1ccc2nc(C[NH+]3CCC(C(=O)Nc4ccccc4C(N)=O)CC3)[nH]c2c1 NC(=O)c1ccccc1[*:1] Cc1ccc2nc(C[NH+]3CCC(CC3)C(=O)N[*:1])[nH]c2c1
Cc1ccc2nc(C[NH+]3CCC(C(=O)Nc4ccccc4C(N)=O)CC3)[nH]c2c1 NC(=O)[*:1] Cc1ccc2nc(C[NH+]3CCC(CC3)C(=O)Nc3ccccc3[*:1])[nH]c2c1
Cc1ccoc1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C Cc1ccoc1[*:1] C[C@H]1Cc2ccccc2N1C(=O)COC(=O)[*:1]
Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1 CN(C)C(=O)[*:1] Cc1ccc(c(c1)NC[C@H]1CC[C@H](O1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)NC[C@H]1CC[C@@H](O1)C(=O)N(C)C)[*:1]
O=C1CCO[C@@H](c2c[nH+]cn2C2CC2)C1 C1CC1[*:1] O=C1CCO[C@H](C1)c1c[nH+]cn1[*:1]
CC(=O)c1ccc(OCC(=O)Nc2cncc(C)c2)cc1 CC(=O)[*:1] Cc1cncc(c1)NC(=O)COc1ccc(cc1)[*:1]
CC(=O)c1ccc(OCC(=O)Nc2cncc(C)c2)cc1 Cc1cncc(c1)[*:1] CC(=O)c1ccc(cc1)OCC(=O)N[*:1]
C[C@H]1CN(Cc2ccc(CNC(=O)c3cc(Cl)c[nH]3)cc2)C[C@@H](C)O1 Clc1c[nH]c(c1)[*:1] C[C@H]1CN(Cc2ccc(cc2)CNC(=O)[*:1])C[C@@H](C)O1
CSC(C)(C)CNC(=O)c1ccc(NC(N)=O)cc1 CSC(C)(C)[*:1] NC(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CSC(C)(C)CNC(=O)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] CSC(C)(C)CNC(=O)c1ccc(cc1)[*:1]
CSC(C)(C)CNC(=O)c1ccc(NC(N)=O)cc1 CSC(C)(C)C[*:1] NC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)[*:1]
CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1 CC(C)NC(=O)NC(=O)C[*:1] C[C@@H](c1ccccc1)n1c(nc2ccccc2c1=O)S[*:1]
CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1 CC(C)NC(=O)NC(=O)[*:1] C[C@@H](c1ccccc1)n1c(nc2ccccc2c1=O)SC[*:1]
CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1 CC(C)[*:1] C[C@@H](c1ccccc1)n1c(nc2ccccc2c1=O)SCC(=O)NC(=O)N[*:1]
COc1cc(OC)nc(NC(=O)CCC2CCCC2)n1 C1CCC(C1)[*:1] COc1cc(nc(n1)NC(=O)CC[*:1])OC
COc1cc(OC)nc(NC(=O)CCC2CCCC2)n1 C1CCC(C1)C[*:1] COc1cc(nc(n1)NC(=O)C[*:1])OC
CN1[C@H](C(=O)Nc2ccccc2C(F)(F)F)C[C@H](c2cccs2)NS1(=O)=O c1csc(c1)[*:1] CN1[C@@H](C[C@H](NS1(=O)=O)[*:1])C(=O)Nc1ccccc1C(F)(F)F
CN1[C@H](C(=O)Nc2ccccc2C(F)(F)F)C[C@H](c2cccs2)NS1(=O)=O FC(F)(F)[*:1] CN1[C@@H](C[C@@H](NS1(=O)=O)c1cccs1)C(=O)Nc1ccccc1[*:1]
COc1ccc(CNC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1cc2cc3ccc(Cl)cc3nc2o1
CNC(=O)NCC(=O)N1CC[C@H](OCC(C)C)C1 CNC(=O)NC[*:1] CC(C)CO[C@H]1CCN(C1)C(=O)[*:1]
CNC(=O)NCC(=O)N1CC[C@H](OCC(C)C)C1 CC(C)C[*:1] CNC(=O)NCC(=O)N1CC[C@@H](C1)O[*:1]
CNC(=O)NCC(=O)N1CC[C@H](OCC(C)C)C1 CC(C)CO[*:1] CNC(=O)NCC(=O)N1CC[C@H](C1)[*:1]
CNC(=O)NCC(=O)N1CC[C@H](OCC(C)C)C1 CNC(=O)N[*:1] CC(C)CO[C@H]1CCN(C1)C(=O)C[*:1]
CNC(=O)NCC(=O)N1CC[C@H](OCC(C)C)C1 CC(C)[*:1] CNC(=O)NCC(=O)N1CC[C@@H](C1)OC[*:1]
CCN(Cc1ccccn1)C(=O)c1ccccc1Nc1ccc(OC)cc1 c1ccc(C[*:1])nc1 CCN(C(=O)c1ccccc1Nc1ccc(cc1)OC)[*:1]
CCN(Cc1ccccn1)C(=O)c1ccccc1Nc1ccc(OC)cc1 COc1ccc(cc1)N[*:1] CCN(Cc1ccccn1)C(=O)c1ccccc1[*:1]
CCN(Cc1ccccn1)C(=O)c1ccccc1Nc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(Cc1ccccn1)C(=O)c1ccccc1N[*:1]
CCN(Cc1ccccn1)C(=O)c1ccccc1Nc1ccc(OC)cc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1ccccc1Nc1ccc(cc1)OC
CC(C)(C)[S@@](=O)CCNC(=O)N[C@H](c1ccccc1F)C1CCCC1 CC(C)(C)[*:1] O=C(NCC[S@](=O)[*:1])N[C@H](c1ccccc1F)C1CCCC1
CC(C)(C)[S@@](=O)CCNC(=O)N[C@H](c1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] CC(C)(C)[S@@](=O)CCNC(=O)N[C@H](c1ccccc1F)[*:1]
CC(C)(C)[S@@](=O)CCNC(=O)N[C@H](c1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] CC(C)(C)[S@@](=O)CCNC(=O)N[C@H](C1CCCC1)[*:1]
O=S(=O)([O-])c1cc(O)cc2ccc(Br)cc12 O=S(=O)([O-])[*:1] Oc1cc(c2cc(Br)ccc2c1)[*:1]
CCCCS(=O)(=O)NCC(=O)N1CCC[C@H](O)C1 CCC[*:1] O=C(CNS(=O)(=O)C[*:1])N1CCC[C@H](O)C1
CCCCS(=O)(=O)NCC(=O)N1CCC[C@H](O)C1 CCCC[*:1] O=C(CNS(=O)(=O)[*:1])N1CCC[C@H](O)C1
CC1=C(C)C(=O)N([C@@](C)(C(=O)[O-])C(F)(F)F)C1=O O=C([O-])[*:1] CC1C(=O)N(C(=O)C=1C)[C@@](C)(C(F)(F)F)[*:1]
CC1=C(C)C(=O)N([C@@](C)(C(=O)[O-])C(F)(F)F)C1=O FC(F)(F)[*:1] CC1C(=O)N(C(=O)C=1C)[C@@](C)(C(=O)[O-])[*:1]
CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(I)cc1 Ic1ccc(cc1)[*:1] CN(c1ccccc1C(=O)[O-])S(=O)(=O)[*:1]
CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(I)cc1 O=C([O-])[*:1] CN(c1ccccc1[*:1])S(=O)(=O)c1ccc(I)cc1
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cccs2)C1 c1csc(c1)C[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C(C)(C)CNC(=O)N[*:1]
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cccs2)C1 c1csc(c1)[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C(C)(C)CNC(=O)NC[*:1]
C[C@H](C(=O)NC(C)(C)C)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] C[C@H](C(=O)NC(C)(C)C)N1CCN(CC1)C(=O)C[*:1]
C[C@H](C(=O)NC(C)(C)C)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] C[C@H](C(=O)NC(C)(C)C)N1CCN(CC1)C(=O)[*:1]
C[C@H](C(=O)NC(C)(C)C)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 CC(C)(C)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)Cc1cccc(Cl)c1
C[C@H](C(=O)NC(C)(C)C)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 CC(C)(C)NC(=O)[*:1] C[C@H](N1CCN(CC1)C(=O)Cc1cccc(Cl)c1)[*:1]
C[C@H](CS(C)(=O)=O)C(=O)Nc1nc(-c2ccccc2F)cs1 Fc1ccccc1[*:1] C[C@H](CS(C)(=O)=O)C(=O)Nc1nc(cs1)[*:1]
C[C@H](CS(C)(=O)=O)C(=O)Nc1nc(-c2ccccc2F)cs1 CS(=O)(=O)C[*:1] C[C@H](C(=O)Nc1nc(cs1)-c1ccccc1F)[*:1]
C[C@H](CS(C)(=O)=O)C(=O)Nc1nc(-c2ccccc2F)cs1 CS(=O)(=O)[*:1] C[C@H](C[*:1])C(=O)Nc1nc(cs1)-c1ccccc1F
CS[C@@H]1CCC[C@@H]1NC(=O)N1CCC(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] CS[C@@H]1CCC[C@@H]1NC(=O)N1CCC(CC1)[*:1]
COC(=O)Cn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc3c(cc21)OCCO3 O=[N+]([O-])[*:1] COC(=O)Cn1/c(=N/C(=O)c2ccccc2[*:1])sc2cc3OCCOc3cc21
COC(=O)Cn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc3c(cc21)OCCO3 COC(=O)C[*:1] O=C(/N=c1\sc2cc3OCCOc3cc2n1[*:1])c1ccccc1[N+](=O)[O-]
COC(=O)Cn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc3c(cc21)OCCO3 COC(=O)[*:1] O=C(/N=c1\sc2cc3OCCOc3cc2n1C[*:1])c1ccccc1[N+](=O)[O-]
COC(=O)Cn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc3c(cc21)OCCO3 O=[N+]([O-])c1ccccc1[*:1] COC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc3OCCOc3cc21
N#C/C(=C\c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] N#CC(=Cc1ccc(o1)-c1ccc(F)cc1[N+](=O)[O-])[*:1]
N#C/C(=C\c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1 O=[N+]([O-])[*:1] N#C/C(=C\c1ccc(o1)-c1ccc(F)cc1[*:1])c1nc2ccccc2[nH]1
CCc1onc(C)c1NC(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CCc1onc(C)c1NC(=O)N1CC=C(CC1)[*:1]
CCc1onc(C)c1NC(=O)N1CC=C(c2ccccc2Cl)CC1 CCc1onc(C)c1[*:1] O=C(N[*:1])N1CC=C(CC1)c1ccccc1Cl
C[C@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 C1CC1[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)[*:1])S(=O)(=O)N[C@@H]1CCCC[C@H]1C
C[C@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 C[C@@H]1CCCC[C@H]1[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N[*:1]
O=C([O-])[C@H](F)SCC1CCCC1 O=C([O-])[*:1] F[C@H](SCC1CCCC1)[*:1]
O=C(C[C@@H]1CCCCO1)Nc1ccc(C#CCO)cc1 C1CC[C@H](OC1)[*:1] O=C(C[*:1])Nc1ccc(C#CCO)cc1
O=C(C[C@@H]1CCCCO1)Nc1ccc(C#CCO)cc1 OCC#C[*:1] O=C(C[C@@H]1CCCCO1)Nc1ccc(cc1)[*:1]
O=C(c1nc(Cl)ccc1Cl)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] O=C(c1nc(Cl)ccc1Cl)N(C[C@H]1CCCO1)[*:1]
O=C(c1nc(Cl)ccc1Cl)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)[*:1] O=C(c1nc(Cl)ccc1Cl)N(C[*:1])[C@@H]1CCSC1
O=C(c1nc(Cl)ccc1Cl)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)C[*:1] O=C(c1nc(Cl)ccc1Cl)N([C@@H]1CCSC1)[*:1]
CCn1c(CN2CCC(C(=O)OC)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 COC(=O)C1CCN(CC1)[*:1] CCn1c(C[*:1])nc2cc(ccc21)S(=O)(=O)N1CCCCC1
CCn1c(CN2CCC(C(=O)OC)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 O=S(=O)(N1CCCCC1)[*:1] CCn1c(CN2CCC(CC2)C(=O)OC)nc2cc(ccc21)[*:1]
CCn1c(CN2CCC(C(=O)OC)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 COC(=O)[*:1] CCn1c(CN2CCC(CC2)[*:1])nc2cc(ccc21)S(=O)(=O)N1CCCCC1
CN(CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)S(C)(=O)=O CN(C[*:1])S(C)(=O)=O O=C(N1CC=C(CC1)c1c[nH]c2ccccc12)[*:1]
CN(CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(C[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
COc1cccc(NC(=O)[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)Cc1c[nH]c2ccccc12
COc1cccc(NC(=O)[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c1 c1ccc2c(c[nH]c2c1)[*:1] COc1cccc(c1)NC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(C1CCC1)N1CCC(C(=O)N2CC(c3ccccn3)C2)CC1 C1CC(C1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CC(C1)c1ccccn1
O=C(C1CCC1)N1CCC(C(=O)N2CC(c3ccccn3)C2)CC1 c1ccc(nc1)[*:1] O=C(C1CCC1)N1CCC(CC1)C(=O)N1CC(C1)[*:1]
O=C(CCn1ccccc1=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 O=c1ccccn1C[*:1] O=C(C[*:1])N1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
O=C(CCn1ccccc1=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 O=c1ccccn1[*:1] O=C(CC[*:1])N1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
O=C(CCn1ccccc1=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCn1ccccc1=O)N1CCC(CC1)NS(=O)(=O)[*:1]
O=C(CCn1ccccc1=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 O=c1ccccn1CC[*:1] O=C(N1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1)[*:1]
C[C@@]1(O)N(CC(=O)[O-])C(=O)OC12CCCCC2 O=C([O-])C[*:1] C[C@@]1(O)N(C(=O)OC12CCCCC2)[*:1]
C[C@@]1(O)N(CC(=O)[O-])C(=O)OC12CCCCC2 O=C([O-])[*:1] C[C@@]1(O)N(C[*:1])C(=O)OC12CCCCC2
COCc1nn2c(c1-c1ccc(OC)cc1)NC(=O)[C@H]2CC(=O)Nc1ccc2c(c1)OCO2 COc1ccc(cc1)[*:1] COCc1nn2c(NC(=O)[C@H]2CC(=O)Nc2ccc3OCOc3c2)c1[*:1]
COCc1nn2c(c1-c1ccc(OC)cc1)NC(=O)[C@H]2CC(=O)Nc1ccc2c(c1)OCO2 COC[*:1] COc1ccc(cc1)-c1c(nn2c1NC(=O)[C@H]2CC(=O)Nc1ccc2OCOc2c1)[*:1]
COCc1nn2c(c1-c1ccc(OC)cc1)NC(=O)[C@H]2CC(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] COCc1nn2c(NC(=O)[C@H]2CC(=O)N[*:1])c1-c1ccc(cc1)OC
O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccc2c(c1)OCO2 c1ccc(nc1)[*:1] O=C(COc1cccc(c1)O[*:1])Nc1ccc2OCOc2c1
O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(COc1cccc(c1)Oc1ccccn1)N[*:1]
O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccc2c(c1)OCO2 c1ccc(nc1)O[*:1] O=C(COc1cccc(c1)[*:1])Nc1ccc2OCOc2c1
CN(C)C(=O)c1cccc(C(=O)N2CCCC(C)(C)c3ccccc32)c1 CN(C)C(=O)[*:1] CC1(C)CCCN(C(=O)c2cccc(c2)[*:1])c2ccccc21
COc1ccc(F)cc1NC(=O)[C@H](c1ccccc1)N1CCSCC1 C1CN(CCS1)[*:1] COc1ccc(F)cc1NC(=O)[C@H](c1ccccc1)[*:1]
COc1ccc(F)cc1NC(=O)[C@H](c1ccccc1)N1CCSCC1 c1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)[C@H](N1CCSCC1)[*:1]
Cc1ccc(OCCCC[NH2+]C(C)(C)C)c(Cl)c1 CC(C)(C)[*:1] Cc1ccc(OCCCC[NH2+][*:1])c(Cl)c1
C[NH+](CCC(=O)OC(C)(C)C)CC(C)(C)O CC(C)(O)C[*:1] C[NH+](CCC(=O)OC(C)(C)C)[*:1]
C[NH+](CCC(=O)OC(C)(C)C)CC(C)(C)O CC(C)(O)[*:1] C[NH+](CCC(=O)OC(C)(C)C)C[*:1]
C[NH+](CCC(=O)OC(C)(C)C)CC(C)(C)O CC(C)(C)[*:1] C[NH+](CCC(=O)O[*:1])CC(C)(C)O
CCc1cccc(C(=O)NCc2nccn2Cc2ccccc2)c1O c1ccc(cc1)C[*:1] CCc1cccc(C(=O)NCc2nccn2[*:1])c1O
CCc1cccc(C(=O)NCc2nccn2Cc2ccccc2)c1O c1ccc(cc1)[*:1] CCc1cccc(C(=O)NCc2nccn2C[*:1])c1O
CCCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ccc(Cl)s1 CCC[*:1] C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[*:1])c1ccc(Cl)s1
CCCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CCCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)[*:1]
Cc1c(C(=O)N(CCC(F)(F)F)C2CCC2)oc2ccccc12 FC(F)(F)CC[*:1] Cc1c(oc2ccccc12)C(=O)N(C1CCC1)[*:1]
Cc1c(C(=O)N(CCC(F)(F)F)C2CCC2)oc2ccccc12 C1CC(C1)[*:1] Cc1c(oc2ccccc12)C(=O)N(CCC(F)(F)F)[*:1]
Cc1c(C(=O)N(CCC(F)(F)F)C2CCC2)oc2ccccc12 FC(F)(F)C[*:1] Cc1c(oc2ccccc12)C(=O)N(C[*:1])C1CCC1
Cc1c(C(=O)N(CCC(F)(F)F)C2CCC2)oc2ccccc12 FC(F)(F)[*:1] Cc1c(oc2ccccc12)C(=O)N(CC[*:1])C1CCC1
COc1ccc([C@@H]2CCCN2C(=O)COc2cc(C)ccc2F)cc1 COc1ccc(cc1)[*:1] Cc1ccc(F)c(c1)OCC(=O)N1CCC[C@H]1[*:1]
COc1ccc([C@@H]2CCCN2C(=O)COc2cc(C)ccc2F)cc1 Cc1ccc(F)c(c1)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)CO[*:1]
Cc1noc(CCC(=O)NC(C)(C)c2ccc(F)cc2Cl)n1 Cc1noc(n1)[*:1] CC(C)(NC(=O)CC[*:1])c1ccc(F)cc1Cl
Cc1noc(CCC(=O)NC(C)(C)c2ccc(F)cc2Cl)n1 Cc1noc(C[*:1])n1 CC(C)(NC(=O)C[*:1])c1ccc(F)cc1Cl
CCOc1ccc(/C=C\C(=O)Nc2ccc(Oc3ncccn3)cc2)cc1 c1cnc(nc1)[*:1] CCOc1ccc(/C=C\C(=O)Nc2ccc(cc2)O[*:1])cc1
CCOc1ccc(/C=C\C(=O)Nc2ccc(Oc3ncccn3)cc2)cc1 c1cnc(nc1)O[*:1] CCOc1ccc(/C=C\C(=O)Nc2ccc(cc2)[*:1])cc1
CCOc1ccc(/C=C\C(=O)Nc2ccc(Oc3ncccn3)cc2)cc1 CCOc1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)Oc1ncccn1
CCOc1ccc(/C=C\C(=O)Nc2ccc(Oc3ncccn3)cc2)cc1 CCO[*:1] O=C(/C=C\c1ccc(cc1)[*:1])Nc1ccc(cc1)Oc1ncccn1
Cc1cccc(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1ccc(cc1)-n1cnc2ccccc2c1=O
CCOc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1 CCO[*:1] CC1CC[NH+](CC1)CC(=O)Nc1ccc(cc1)[*:1]
CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC1(C)COC1 CC(C)[*:1] CC1(CNC(=O)C(=O)Nc2ccc(Br)cc2[*:1])COC1
CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC1(C)COC1 CC1(COC1)[*:1] CC(C)c1cc(Br)ccc1NC(=O)C(=O)NC[*:1]
CC(C)c1cc(Br)ccc1NC(=O)C(=O)NCC1(C)COC1 CC1(COC1)C[*:1] CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[*:1]
CC(C)C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] CC(C)C[*:1] O=C([O-])[C@H](CNC1=NS(=O)(=O)c2ccccc21)[*:1]
CC(C)C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)[*:1]
CC(C)C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H](CNC1=NS(=O)(=O)c2ccccc21)C[*:1]
O=C(NCCCOCC(F)(F)F)c1cccc[n+]1[O-] FC(F)(F)CO[*:1] O=C(NCCC[*:1])c1cccc[n+]1[O-]
O=C(NCCCOCC(F)(F)F)c1cccc[n+]1[O-] FC(F)(F)[*:1] O=C(NCCCOC[*:1])c1cccc[n+]1[O-]
O=C(NCCCOCC(F)(F)F)c1cccc[n+]1[O-] FC(F)(F)C[*:1] O=C(NCCCO[*:1])c1cccc[n+]1[O-]
CCOc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1Cl CCO[*:1] O=S(=O)(c1ccc(Cl)c(c1)[*:1])N1CCc2ccccc21
CCOC(=O)C(=O)NNC(=O)C[C@H](C)C1CCCCC1 C1CCC(CC1)[*:1] CCOC(=O)C(=O)NNC(=O)C[C@H](C)[*:1]
Cc1cc(C)c(C)c(OC/C(N)=N/O)c1 N/C(C[*:1])=N\O Cc1cc(C)c(C)c(c1)O[*:1]
Cc1cc(C)c(C)c(OC/C(N)=N/O)c1 N/C(=N\O)[*:1] Cc1cc(C)c(C)c(c1)OC[*:1]
Cc1cc(C)n2c(S[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2n1 NS(=O)(=O)[*:1] Cc1cc(C)n2c(nnc2n1)S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCC[NH2+][C@@H]1CCC[C@H]1CCN1CCC[C@H]([NH+](C)C)C1 CCC[*:1] C[NH+](C)[C@H]1CCCN(CC[C@@H]2CCC[C@H]2[NH2+][*:1])C1
O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCOC2)c2ccccc2O1 C1C[C@@H](CO1)[*:1] O=C([O-])[C@H]1CN(C(=O)N[*:1])c2ccccc2O1
O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCOC2)c2ccccc2O1 O=C([O-])[*:1] O=C(N[C@H]1CCOC1)N1C[C@@H](Oc2ccccc21)[*:1]
C[C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H](C)S1 c1n[nH]nc1[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)[*:1]
O=[N+]([O-])c1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)c1 O=[N+]([O-])[*:1] c1ccc(cc1)-n1c(nnc1-c1cccc(c1)[*:1])SCc1nc2ccccc2[nH]1
O=[N+]([O-])c1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)c1 c1ccc2[nH]c(nc2c1)[*:1] O=[N+]([O-])c1cccc(c1)-c1nnc(SC[*:1])n1-c1ccccc1
O=[N+]([O-])c1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)c1 O=[N+]([O-])c1cccc(c1)[*:1] c1ccc(cc1)-n1c(nnc1[*:1])SCc1nc2ccccc2[nH]1
O=[N+]([O-])c1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)-c1nnc(SCc2nc3ccccc3[nH]2)n1[*:1]
O=[N+]([O-])c1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)c1 c1ccc2[nH]c(C[*:1])nc2c1 O=[N+]([O-])c1cccc(c1)-c1nnc(S[*:1])n1-c1ccccc1
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H]1c1cccnc1 COC(=O)[*:1] O=C(N[C@H](Cc1c[nH]c2ccccc12)[*:1])[C@H]1C[C@H]1c1cccnc1
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H]1c1cccnc1 c1ccc2c(c[nH]c2c1)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)[C@H]1C[C@H]1c1cccnc1
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H]1c1cccnc1 c1cncc(c1)[*:1] COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@@H]1[*:1]
O=C(NCc1cccc(CN2CCOCC2)c1)N1CC[C@H]([N+]2=CCCC2)C1 C1CN(CCO1)C[*:1] O=C(NCc1cccc(c1)[*:1])N1CC[C@@H](C1)[N+]1=CCCC1
O=C(NCc1cccc(CN2CCOCC2)c1)N1CC[C@H]([N+]2=CCCC2)C1 C1CN(CCO1)[*:1] O=C(NCc1cccc(c1)C[*:1])N1CC[C@@H](C1)[N+]1=CCCC1
CCCC(=O)N[C@H]1CCCN(C(=O)CCc2ccccn2)C1 c1ccc(C[*:1])nc1 CCCC(=O)N[C@H]1CCCN(C1)C(=O)C[*:1]
CCCC(=O)N[C@H]1CCCN(C(=O)CCc2ccccn2)C1 CCCC(=O)N[*:1] O=C(CCc1ccccn1)N1CCC[C@@H](C1)[*:1]
CCCC(=O)N[C@H]1CCCN(C(=O)CCc2ccccn2)C1 c1ccc(nc1)[*:1] CCCC(=O)N[C@H]1CCCN(C1)C(=O)CC[*:1]
CCCC(=O)N[C@H]1CCCN(C(=O)CCc2ccccn2)C1 CCC[*:1] O=C(CCc1ccccn1)N1CCC[C@@H](C1)NC(=O)[*:1]
CCOc1cccc(/C=C/C[NH2+]C(C)(C)C)c1OC CC(C)(C)[*:1] CCOc1cccc(/C=C/C[NH2+][*:1])c1OC
CCOc1cccc(/C=C/C[NH2+]C(C)(C)C)c1OC CCO[*:1] COc1c(/C=C/C[NH2+]C(C)(C)C)cccc1[*:1]
C[C@@H]1C(=O)NCCN1C(=O)CCCSc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C(=O)NCCN1C(=O)CCCS[*:1]
N#CC1(NC(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)CCCCC1 N#CC1(CCCCC1)[*:1] NS(=O)(=O)c1ccc2CCN(CC(=O)N[*:1])c2c1
N#CC1(NC(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)CCCCC1 NS(=O)(=O)[*:1] N#CC1(CCCCC1)NC(=O)CN1CCc2ccc(cc21)[*:1]
Cc1ccc(CN(C)S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)o1 Cc1ccc(C[*:1])o1 CN(S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)[*:1]
Cc1ccc(CN(C)S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
CS(=O)(=O)c1ccc(CC(=O)N2CCn3c(C(N)=O)cnc3C2)cc1 CS(=O)(=O)[*:1] NC(=O)c1cnc2CN(CCn12)C(=O)Cc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(CC(=O)N2CCn3c(C(N)=O)cnc3C2)cc1 NC(=O)[*:1] CS(=O)(=O)c1ccc(cc1)CC(=O)N1CCn2c(cnc2C1)[*:1]
Cc1ccc(CNc2ccc(C(=O)NCCN3CCCC3=O)cc2)cc1 Cc1ccc(cc1)C[*:1] O=C(NCCN1CCCC1=O)c1ccc(cc1)N[*:1]
Cc1ccc(CNc2ccc(C(=O)NCCN3CCCC3=O)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCN1CCCC1=O)c1ccc(cc1)NC[*:1]
Cc1ccc(CNc2ccc(C(=O)NCCN3CCCC3=O)cc2)cc1 O=C1CCCN1[*:1] Cc1ccc(cc1)CNc1ccc(cc1)C(=O)NCC[*:1]
Cc1ccc(CNc2ccc(C(=O)NCCN3CCCC3=O)cc2)cc1 O=C1CCCN1CC[*:1] Cc1ccc(cc1)CNc1ccc(cc1)C(=O)N[*:1]
Cc1ccc(CNc2ccc(C(=O)NCCN3CCCC3=O)cc2)cc1 O=C1CCCN1C[*:1] Cc1ccc(cc1)CNc1ccc(cc1)C(=O)NC[*:1]
COC(=O)CCNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 COC(=O)[*:1] C[C@@H]1CCc2c(C1)sc1ncn(CC(=O)NCC[*:1])c(=O)c21
COC(=O)CCNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 COC(=O)C[*:1] C[C@@H]1CCc2c(C1)sc1ncn(CC(=O)NC[*:1])c(=O)c21
COC(=O)CCNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 COC(=O)CC[*:1] C[C@@H]1CCc2c(C1)sc1ncn(CC(=O)N[*:1])c(=O)c21
CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)O[C@H](C)C2)c1 CC(=O)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@H](C(=O)Nc1cccc(c1)[*:1])c1ccccc1
CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)O[C@H](C)C2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H](N1C[C@H](C)O[C@H](C)C1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)O[C@H](C)C2)c1 CC(=O)c1cccc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@H](C(=O)N[*:1])c1ccccc1
CCOc1ccc2c(c1)CN(C(=O)Cc1ccc(F)c(F)c1)CC2 CCO[*:1] O=C(Cc1ccc(F)c(F)c1)N1CCc2ccc(cc2C1)[*:1]
CCOc1ccc2c(c1)CN(C(=O)Cc1ccc(F)c(F)c1)CC2 Fc1ccc(cc1F)[*:1] CCOc1ccc2CCN(Cc2c1)C(=O)C[*:1]
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)ccc1O Clc1ccc(cc1Cl)[*:1] CN(CC(=O)N[*:1])C(=O)c1cc(Cl)ccc1O
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)ccc1O Oc1ccc(Cl)cc1[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[*:1]
CCCNc1cc2c([nH+]n1)C(C)(C)CC2 CCCN[*:1] CC1(C)CCc2cc(n[nH+]c21)[*:1]
CCCNc1cc2c([nH+]n1)C(C)(C)CC2 CCC[*:1] CC1(C)CCc2cc(n[nH+]c21)N[*:1]
N#C/C(=C\[C@@H]1C=NN=C1c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl Fc1ccc(cc1)[*:1] N#C/C(=C\[C@@H]1C=NN=C1[*:1])C(=O)Nc1cc(Cl)ccc1Cl
N#C/C(=C\[C@@H]1C=NN=C1c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] N#C/C(=C\[C@@H]1C=NN=C1c1ccc(F)cc1)C(=O)N[*:1]
C[C@@H](Nc1ccsc1)c1cc(F)cc(F)c1 c1cc(cs1)[*:1] C[C@@H](N[*:1])c1cc(F)cc(F)c1
Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 Cc1ccc(cc1)C[*:1] O=C1COc2cc(c(Cl)cc2N1)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 Cc1ccc(cc1)[*:1] O=C1COc2cc(c(Cl)cc2N1)S(=O)(=O)N1CCC[C@H]1C(=O)NC[*:1]
Cc1ccc(-n2c(SCc3nc(N)nc(N)n3)nnc2-c2ccccc2)cc1C Cc1ccc(cc1C)[*:1] Nc1nc(N)nc(CSc2nnc(-c3ccccc3)n2[*:1])n1
Cc1ccc(-n2c(SCc3nc(N)nc(N)n3)nnc2-c2ccccc2)cc1C Nc1nc(N)nc(n1)[*:1] Cc1ccc(cc1C)-n1c(nnc1-c1ccccc1)SC[*:1]
Cc1ccc(-n2c(SCc3nc(N)nc(N)n3)nnc2-c2ccccc2)cc1C Nc1nc(N)nc(C[*:1])n1 Cc1ccc(cc1C)-n1c(nnc1-c1ccccc1)S[*:1]
Cc1ccc(-n2c(SCc3nc(N)nc(N)n3)nnc2-c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1c(nnc1[*:1])SCc1nc(N)nc(N)n1
CCNc1c(F)cccc1C(=O)N[C@H]1CCCCC1(C)C CCN[*:1] CC1(C)CCCC[C@@H]1NC(=O)c1cccc(F)c1[*:1]
COc1cccc(C(=O)Nc2cccc(-c3nncn3C)c2)c1F Cn1cnnc1[*:1] COc1cccc(C(=O)Nc2cccc(c2)[*:1])c1F
O=C(Cn1cccn1)NCc1ccc(N2CCCC2)[nH+]c1 c1cnn(c1)C[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)[*:1]
O=C(Cn1cccn1)NCc1ccc(N2CCCC2)[nH+]c1 c1cnn(c1)[*:1] O=C(C[*:1])NCc1ccc([nH+]c1)N1CCCC1
O=C(Cn1cccn1)NCc1ccc(N2CCCC2)[nH+]c1 C1CCN(C1)[*:1] O=C(Cn1cccn1)NCc1ccc([nH+]c1)[*:1]
Cc1ccc(NC(=O)NNC(=O)COc2cccc3ccccc23)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(COc1cccc2ccccc12)NNC(=O)N[*:1]
CN1N=C(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)CCC1=O c1nc2ccc(cc2[nH]1)[*:1] CN1N=C(CCC1=O)C(=O)N[C@@H](c1ccccc1)[*:1]
CN1N=C(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)CCC1=O c1ccc(cc1)[*:1] CN1N=C(CCC1=O)C(=O)N[C@@H](c1ccc2nc[nH]c2c1)[*:1]
CC1(C)CC(=O)c2sc(NC(=O)[C@H]3CCN(c4ccccc4Br)C3=O)nc2C1 Brc1ccccc1[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)[C@H]1CCN(C1=O)[*:1]
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cnn1-c1ccccn1 FC(F)(F)[*:1] Cc1c(cnn1-c1ccccn1)C(=O)Nc1cc(ccc1N1CCOCC1)[*:1]
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cnn1-c1ccccn1 C1CN(CCO1)[*:1] Cc1c(cnn1-c1ccccn1)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
C[NH+](C)[C@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@H](CNc1ccc(cc1S(C)(=O)=O)S(C)(=O)=O)[*:1]
C[NH+](C)[C@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C1CCCCC1 CS(=O)(=O)[*:1] C[NH+](C)[C@H](CNc1ccc(cc1S(C)(=O)=O)[*:1])C1CCCCC1
C[NH+](C)[C@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C1CCCCC1 CS(=O)(=O)[*:1] C[NH+](C)[C@H](CNc1ccc(cc1[*:1])S(C)(=O)=O)C1CCCCC1
C=C(Br)Cn1c([C@@H](O)CC)nc2ccccc21 C=C(Br)C[*:1] CC[C@H](O)c1nc2ccccc2n1[*:1]
C=C(Br)Cn1c([C@@H](O)CC)nc2ccccc21 CC[C@H](O)[*:1] C=C(Br)Cn1c(nc2ccccc21)[*:1]
C=C(Br)Cn1c([C@@H](O)CC)nc2ccccc21 C=C(Br)[*:1] CC[C@H](O)c1nc2ccccc2n1C[*:1]
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](CCCc1ccco1)C3 COC(=O)C[*:1] Cc1c(c(=O)oc2c(C)c3OC[NH+](CCCc4ccco4)Cc3cc12)[*:1]
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](CCCc1ccco1)C3 c1coc(c1)CC[*:1] COC(=O)Cc1c(C)c2cc3C[NH+](COc3c(C)c2oc1=O)C[*:1]
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](CCCc1ccco1)C3 c1coc(c1)C[*:1] COC(=O)Cc1c(C)c2cc3C[NH+](CC[*:1])COc3c(C)c2oc1=O
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](CCCc1ccco1)C3 c1coc(c1)[*:1] COC(=O)Cc1c(C)c2cc3C[NH+](CCC[*:1])COc3c(C)c2oc1=O
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](CCCc1ccco1)C3 COC(=O)[*:1] Cc1c(C[*:1])c(=O)oc2c(C)c3OC[NH+](CCCc4ccco4)Cc3cc12
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OC[NH+](CCCc1ccco1)C3 c1coc(c1)CCC[*:1] COC(=O)Cc1c(C)c2cc3C[NH+](COc3c(C)c2oc1=O)[*:1]
Cc1cccc(Cl)c1NC(=O)c1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1C[*:1] Cc1cccc(Cl)c1NC(=O)c1cnn(c1)[*:1]
Cc1cccc(Cl)c1NC(=O)c1cnn(Cc2ccccc2Cl)c1 Cc1cccc(Cl)c1[*:1] O=C(N[*:1])c1cnn(c1)Cc1ccccc1Cl
Cc1cccc(Cl)c1NC(=O)c1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1cccc(Cl)c1NC(=O)c1cnn(c1)C[*:1]
Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)c1C Cc1cccc(c1C)[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)c1C Fc1ccc(cc1)O[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)C(=O)[C@@H](C)[*:1])c1C
Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)C(=O)[C@@H](C)O[*:1])c1C
COCCCNC(=O)[C@H](C)Nc1ccccc1C COCC[*:1] Cc1ccccc1N[C@@H](C)C(=O)NC[*:1]
COCCCNC(=O)[C@H](C)Nc1ccccc1C COCCC[*:1] Cc1ccccc1N[C@@H](C)C(=O)N[*:1]
COCCCNC(=O)[C@H](C)Nc1ccccc1C COC[*:1] Cc1ccccc1N[C@@H](C)C(=O)NCC[*:1]
C[C@H](CNC(=O)[C@H](C)O[C@@H]1CCC[C@H](C)C1)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H]1CCC[C@H](C1)O[C@@H](C)C(=O)NC[C@@H](C)C[*:1]
C[C@H](CNC(=O)[C@H](C)O[C@@H]1CCC[C@H](C)C1)C[C@@H](C)O C[C@H](C[C@@H](C)O)[*:1] C[C@H]1CCC[C@H](C1)O[C@@H](C)C(=O)NC[*:1]
C[C@H](CNC(=O)[C@H](C)O[C@@H]1CCC[C@H](C)C1)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H]1CCC[C@H](C1)O[C@@H](C)C(=O)NC[C@@H](C)[*:1]
Cc1ccc(N2C(=O)c3cccnc3[C@H]2Nc2ccccc2C(N)=O)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1ccccc1N[C@@H]1c2ncccc2C(=O)N1[*:1]
Cc1ccc(N2C(=O)c3cccnc3[C@H]2Nc2ccccc2C(N)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)N1C(=O)c2cccnc2[C@H]1Nc1ccccc1[*:1]
Cc1ccc(N2C(=O)c3cccnc3[C@H]2Nc2ccccc2C(N)=O)cc1 NC(=O)c1ccccc1[*:1] Cc1ccc(cc1)N1C(=O)c2cccnc2[C@H]1N[*:1]
C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O NC(=O)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2sc3CCCCc3c2[*:1])C1=O)c1ccc2OCCOc2c1
C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O c1cc2OCCOc2cc1[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2sc3CCCCc3c2C(N)=O)C1=O)[*:1]
CC(C)(O)C(=O)Nc1ccccc1 CC(C)(O)[*:1] O=C(Nc1ccccc1)[*:1]
C/[N+](=C1\S[C@@H]2CS(=O)(=O)[C@H](Br)[C@]2(C)S1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C[N+](=C1S[C@@H]2CS(=O)(=O)[C@H](Br)[C@]2(C)S1)[*:1]
CC(C)n1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc2ccccc2c1=O CC(C)[*:1] C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3c(=O)n2[*:1])[C@@H]1C
C[C@H](CCC1CCCC1)NC(=O)NCC(C)(C)C(N)=O C1CCC(C1)C[*:1] C[C@H](C[*:1])NC(=O)NCC(C)(C)C(N)=O
C[C@H](CCC1CCCC1)NC(=O)NCC(C)(C)C(N)=O NC(=O)[*:1] C[C@H](CCC1CCCC1)NC(=O)NCC(C)(C)[*:1]
C[C@H](CCC1CCCC1)NC(=O)NCC(C)(C)C(N)=O C1CCC(C1)[*:1] C[C@H](CC[*:1])NC(=O)NCC(C)(C)C(N)=O
C[C@H](CCC1CCCC1)NC(=O)NCC(C)(C)C(N)=O CC(C)(C(N)=O)[*:1] C[C@H](CCC1CCCC1)NC(=O)NC[*:1]
O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 c1ccc(cc1)CC[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1ncnc2[nH]cnc12
O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 c1nc(c2nc[nH]c2n1)[*:1] O=C(NCCCc1ccccc1)[C@@H]1CCCN(C1)[*:1]
O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])[C@@H]1CCCN(C1)c1ncnc2[nH]cnc12
O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)c1ncnc2[nH]cnc12
O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 c1ccc(cc1)CCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ncnc2[nH]cnc12
Cn1cc(/C=C/C(=O)NCc2ccc(OCC(F)(F)F)cc2)c(=O)n(C)c1=O FC(F)(F)CO[*:1] Cn1cc(/C=C/C(=O)NCc2ccc(cc2)[*:1])c(=O)n(C)c1=O
Cn1cc(/C=C/C(=O)NCc2ccc(OCC(F)(F)F)cc2)c(=O)n(C)c1=O FC(F)(F)C[*:1] Cn1cc(/C=C/C(=O)NCc2ccc(cc2)O[*:1])c(=O)n(C)c1=O
Cn1cc(/C=C/C(=O)NCc2ccc(OCC(F)(F)F)cc2)c(=O)n(C)c1=O FC(F)(F)[*:1] Cn1cc(/C=C/C(=O)NCc2ccc(cc2)OC[*:1])c(=O)n(C)c1=O
CN1C[C@@H](NC(=O)OCCO)CCC1=O OCC[*:1] CN1C[C@H](CCC1=O)NC(=O)O[*:1]
C#CCOc1ccc(F)cc1NCC(=O)N1CCCCCC1 C#CC[*:1] O=C(CNc1cc(F)ccc1O[*:1])N1CCCCCC1
C#CCOc1ccc(F)cc1NCC(=O)N1CCCCCC1 C#CCO[*:1] O=C(CNc1cc(F)ccc1[*:1])N1CCCCCC1
C[C@@H]1CN(C(=O)CCCCc2ccccc2)C[C@]1(C)O c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@]1(C)O)C(=O)CCCC[*:1]
O=C(c1ccc[nH]1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 c1cc(ccn1)C[*:1] O=C(c1ccc[nH]1)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
O=C(c1ccc[nH]1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 c1c[nH]c(c1)[*:1] O=C(N1CCC[C@@H](C1)c1[nH+]ccn1Cc1ccncc1)[*:1]
O=C(c1ccc[nH]1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 c1cc(ccn1)[*:1] O=C(c1ccc[nH]1)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
O=C(NCc1ccc(F)cc1)c1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)c1ccccc1[*:1]
O=C(NCc1ccc(F)cc1)c1ccccc1-c1ccccc1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccccc1-c1ccccc1
C=CCCCN(C)c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 C=CCCC[*:1] CN(c1ccc(c(c1)C(F)(F)F)S(N)(=O)=O)[*:1]
C=CCCCN(C)c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 C=CCCCN(C)[*:1] NS(=O)(=O)c1ccc(cc1C(F)(F)F)[*:1]
C=CCCCN(C)c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 C=CCC[*:1] CN(C[*:1])c1ccc(c(c1)C(F)(F)F)S(N)(=O)=O
C=CCCCN(C)c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 C=CC[*:1] CN(CC[*:1])c1ccc(c(c1)C(F)(F)F)S(N)(=O)=O
C=CCCCN(C)c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 NS(=O)(=O)[*:1] C=CCCCN(C)c1ccc(c(c1)C(F)(F)F)[*:1]
C=CCCCN(C)c1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 FC(F)(F)[*:1] C=CCCCN(C)c1ccc(c(c1)[*:1])S(N)(=O)=O
CCSc1nnc2c(n1)O[C@@H](c1ccccc1C)N(C(C)=O)c1ccc(F)cc1-2 Cc1ccccc1[*:1] CCSc1nnc2-c3cc(F)ccc3N(C(C)=O)[C@H](Oc2n1)[*:1]
CCSc1nnc2c(n1)O[C@@H](c1ccccc1C)N(C(C)=O)c1ccc(F)cc1-2 CCS[*:1] CC(=O)N1c2ccc(F)cc2-c2nnc(nc2O[C@H]1c1ccccc1C)[*:1]
O=C(c1cccnc1OCC(F)F)N1CCC(C2CCOCC2)CC1 C1CC(CCO1)[*:1] O=C(c1cccnc1OCC(F)F)N1CCC(CC1)[*:1]
O=C(c1cccnc1OCC(F)F)N1CCC(C2CCOCC2)CC1 FC(F)[*:1] O=C(c1cccnc1OC[*:1])N1CCC(CC1)C1CCOCC1
O=C(c1cccnc1OCC(F)F)N1CCC(C2CCOCC2)CC1 FC(F)C[*:1] O=C(c1cccnc1O[*:1])N1CCC(CC1)C1CCOCC1
O=C(c1cccnc1OCC(F)F)N1CCC(C2CCOCC2)CC1 FC(F)CO[*:1] O=C(c1cccnc1[*:1])N1CCC(CC1)C1CCOCC1
Cc1cccc(CC(=O)N(CCCn2cc[nH+]c2)c2nc3c(F)cccc3s2)c1 Cc1cccc(c1)C[*:1] O=C(N(CCCn1cc[nH+]c1)c1nc2c(F)cccc2s1)[*:1]
Cc1cccc(CC(=O)N(CCCn2cc[nH+]c2)c2nc3c(F)cccc3s2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])N(CCCn1cc[nH+]c1)c1nc2c(F)cccc2s1
N#Cc1ccc(COC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)c(F)c1 N#Cc1ccc(c(F)c1)[*:1] O=C(OC[*:1])[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21
COCc1ccc(CN[C@H]2COc3c(cccc3OC)C2)o1 COC[*:1] COc1cccc2C[C@H](COc21)NCc1ccc(o1)[*:1]
O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1cccs1 c1csc(c1)C[*:1] O=C(Cc1csc(n1)NC(=O)c1ccco1)N[*:1]
O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1cccs1 c1csc(c1)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccco1)NC[*:1]
O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1cccs1 c1coc(c1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])NCc1cccs1
CCc1nc2n(n1)CCC[C@@H]2NC(=O)C1CCN(C(=O)OCC(C)C)CC1 CC(C)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)C1CCN(CC1)C(=O)OC[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)C1CCN(C(=O)OCC(C)C)CC1 CC(C)C[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)C1CCN(CC1)C(=O)O[*:1]
COc1ccccc1NC(=O)c1c(-c2ccncn2)noc1C c1cc(ncn1)[*:1] COc1ccccc1NC(=O)c1c(noc1C)[*:1]
O=C(Nc1ccccc1Br)c1cc2c(cc1Cl)OCCO2 Brc1ccccc1[*:1] O=C(N[*:1])c1cc2OCCOc2cc1Cl
OC[C@]1([NH2+]C2CC2)CCC[C@H]([NH+]2CCCC2)C1 C1CC1[NH2+][*:1] OC[C@@]1(CCC[C@@H](C1)[NH+]1CCCC1)[*:1]
OC[C@]1([NH2+]C2CC2)CCC[C@H]([NH+]2CCCC2)C1 C1CC1[*:1] OC[C@@]1(CCC[C@@H](C1)[NH+]1CCCC1)[NH2+][*:1]
Cc1cc(C)c(NC(=O)C[NH+](C)Cc2nccn2C(F)F)c(Cl)c1 FC(F)n1ccnc1[*:1] Cc1cc(C)c(NC(=O)C[NH+](C)C[*:1])c(Cl)c1
Cc1cc(C)c(NC(=O)C[NH+](C)Cc2nccn2C(F)F)c(Cl)c1 FC(F)[*:1] Cc1cc(C)c(NC(=O)C[NH+](C)Cc2nccn2[*:1])c(Cl)c1
Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C1CCCN1c1cccc(c1)[N-]S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c(Br)c1 O=C1CCCN1[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)[N-]c1cccc(c1)[*:1]
NC(=O)c1ccc(C(F)(F)F)nc1O[C@H]1CC[NH2+]C1 NC(=O)[*:1] FC(F)(F)c1ccc(c(n1)O[C@H]1CC[NH2+]C1)[*:1]
NC(=O)c1ccc(C(F)(F)F)nc1O[C@H]1CC[NH2+]C1 FC(F)(F)[*:1] NC(=O)c1ccc(nc1O[C@H]1CC[NH2+]C1)[*:1]
CC(C)c1nsc(N[C@H](CO)c2cc(F)c(F)c(F)c2)n1 CC(C)[*:1] OC[C@@H](Nc1nc(ns1)[*:1])c1cc(F)c(F)c(F)c1
O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)N[C@@H]1C=C[C@H](CO)C1 Fc1cccc(c1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])N[C@@H]1C=C[C@H](CO)C1
O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)N[C@@H]1C=C[C@H](CO)C1 C1CN(CCO1)[*:1] O=C(NC[C@H](c1cccc(F)c1)[*:1])N[C@@H]1C=C[C@H](CO)C1
CC(C)C(=O)Nc1cccc(NCc2nnnn2C2CC2)c1 CC(C)C(=O)N[*:1] c1cc(cc(c1)[*:1])NCc1nnnn1C1CC1
CC(C)C(=O)Nc1cccc(NCc2nnnn2C2CC2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)NCc1nnnn1C1CC1)[*:1]
CC(C)C(=O)Nc1cccc(NCc2nnnn2C2CC2)c1 C1CC1[*:1] CC(C)C(=O)Nc1cccc(c1)NCc1nnnn1[*:1]
CC(C)[NH+](CCSc1ncnc2[nH]ncc12)C(C)C CC(C)[*:1] CC(C)[NH+](CCSc1ncnc2[nH]ncc12)[*:1]
CC[C@H](C(=O)N(CC)Cc1cccc(C)c1)N1CCCC1=O Cc1cccc(c1)[*:1] CC[C@H](C(=O)N(CC)C[*:1])N1CCCC1=O
CC[C@H](C(=O)N(CC)Cc1cccc(C)c1)N1CCCC1=O O=C1CCCN1[*:1] CC[C@H](C(=O)N(CC)Cc1cccc(C)c1)[*:1]
Cc1ccc(Cc2nc(-c3ccc4c(c3)oc(=O)n4C)no2)cc1 Cc1ccc(cc1)C[*:1] Cn1c(=O)oc2cc(ccc21)-c1noc(n1)[*:1]
Cc1ccc(Cc2nc(-c3ccc4c(c3)oc(=O)n4C)no2)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)oc2cc(ccc21)-c1noc(C[*:1])n1
C[C@](O)(CCc1ccccc1)CNC(=O)NC1CCCCC1 c1ccc(cc1)C[*:1] C[C@@](O)(CNC(=O)NC1CCCCC1)C[*:1]
C[C@](O)(CCc1ccccc1)CNC(=O)NC1CCCCC1 c1ccc(cc1)[*:1] C[C@](O)(CC[*:1])CNC(=O)NC1CCCCC1
C[C@](O)(CCc1ccccc1)CNC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@](O)(CCc1ccccc1)CNC(=O)N[*:1]
Cc1cc(F)cc(S(=O)(=O)N[C@H]2CCC[C@H]2C(N)=O)c1 NC(=O)[*:1] Cc1cc(F)cc(c1)S(=O)(=O)N[C@H]1CCC[C@@H]1[*:1]
Cc1cccc(NC(=O)CN2C(=O)[C@]3(SCC(=O)N3c3ccccc3)c3ccccc32)c1 Cc1cccc(c1)NC(=O)[*:1] O=C1CS[C@]2(C(=O)N(C[*:1])c3ccccc32)N1c1ccccc1
Cc1cccc(NC(=O)CN2C(=O)[C@]3(SCC(=O)N3c3ccccc3)c3ccccc32)c1 Cc1cccc(c1)[*:1] O=C(CN1C(=O)[C@]2(SCC(=O)N2c2ccccc2)c2ccccc21)N[*:1]
Cc1cccc(NC(=O)CN2C(=O)[C@]3(SCC(=O)N3c3ccccc3)c3ccccc32)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)[C@]2(SCC(=O)N2[*:1])c2ccccc21
Cc1csc(C(C)(C)NC(=O)NCCCC(C)(C)CO)n1 Cc1csc(n1)[*:1] CC(C)(CO)CCCNC(=O)NC(C)(C)[*:1]
Cc1csc(C(C)(C)NC(=O)NCCCC(C)(C)CO)n1 CC(C)(CO)CC[*:1] Cc1csc(n1)C(C)(C)NC(=O)NC[*:1]
Cc1csc(C(C)(C)NC(=O)NCCCC(C)(C)CO)n1 CC(C)(CO)[*:1] Cc1csc(n1)C(C)(C)NC(=O)NCCC[*:1]
Cc1csc(C(C)(C)NC(=O)NCCCC(C)(C)CO)n1 CC(C)(CO)C[*:1] Cc1csc(n1)C(C)(C)NC(=O)NCC[*:1]
CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C(C)C)CC2)CC1 CNC(=O)C[*:1] CC(C)C1CCN(CC1)C(=O)NC1CC[NH+](CC1)[*:1]
CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C(C)C)CC2)CC1 CNC(=O)[*:1] CC(C)C1CCN(CC1)C(=O)NC1CC[NH+](CC1)C[*:1]
CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C(C)C)CC2)CC1 CC(C)[*:1] CNC(=O)C[NH+]1CCC(CC1)NC(=O)N1CCC(CC1)[*:1]
CC(C)C[C@H](C)N1CCC(=O)N2CCCC[C@H]2C1=O CC(C)C[*:1] C[C@H](N1CCC(=O)N2CCCC[C@H]2C1=O)[*:1]
CC(C)C[C@H](C)N1CCC(=O)N2CCCC[C@H]2C1=O CC(C)[*:1] C[C@@H](C[*:1])N1CCC(=O)N2CCCC[C@H]2C1=O
CC(C)C[C@H](C)N1CCC(=O)N2CCCC[C@H]2C1=O CC(C)C[C@H](C)[*:1] O=C1CCN(C(=O)[C@@H]2CCCCN12)[*:1]
COc1cccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nnnn32)c1 COc1cccc(c1)[*:1] Brc1ccc(cc1)[C@H]1C[C@@H](n2nnnc2N1)[*:1]
COc1cccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nnnn32)c1 Brc1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1C[C@H](Nc2nnnn21)[*:1]
COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(C=C[*:1])NC(=S)Nc1cccc2ccccc12
C[C@H]1CCN(C(=O)NCCS(=O)(=O)c2ccccc2)[C@@H](C)C1 c1ccc(cc1)[*:1] C[C@H]1CCN(C(=O)NCCS(=O)(=O)[*:1])[C@@H](C)C1
N#CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] O=C([O-])[*:1] N#CNC(=O)[C@H]1C[C@H]1[*:1]
CCC[C@@H]1C[C@@]1([NH3+])c1ccc(C)c(F)c1 CCC[*:1] Cc1ccc(cc1F)[C@]1([NH3+])C[C@H]1[*:1]
CCn1nc(C(=O)/N=c2/sc3cc([N+](=O)[O-])ccc3n2C)cc1C CCn1nc(cc1C)[*:1] Cn1/c(=N\C(=O)[*:1])sc2cc(ccc21)[N+](=O)[O-]
CCn1nc(C(=O)/N=c2/sc3cc([N+](=O)[O-])ccc3n2C)cc1C O=[N+]([O-])[*:1] CCn1nc(cc1C)C(=O)/N=c1/sc2cc(ccc2n1C)[*:1]
Cc1ccc(SCCC(=O)Nc2nc3c(F)cccc3s2)cc1 Cc1ccc(cc1)[*:1] O=C(CCS[*:1])Nc1nc2c(F)cccc2s1
O=C(OCc1cc(-c2ccccc2)on1)c1ccc(F)cc1F c1ccc(cc1)[*:1] O=C(OCc1cc(on1)[*:1])c1ccc(F)cc1F
COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/[O-])OC1CCCC1)[C@@H]2c1ccc(N(C)C)cc1 CN(C)c1ccc(cc1)[*:1] COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/[O-])OC1CCCC1)[C@H]2[*:1]
COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/[O-])OC1CCCC1)[C@@H]2c1ccc(N(C)C)cc1 C1CCC(C1)[*:1] COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/[O-])O[*:1])[C@@H]2c1ccc(cc1)N(C)C
COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/[O-])OC1CCCC1)[C@@H]2c1ccc(N(C)C)cc1 COC(=O)[*:1] CC1=NC2C[C@H](C)[C@H](C(=O)C=2[C@H](/C1=C(\[O-])OC1CCCC1)c1ccc(cc1)N(C)C)[*:1]
COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/[O-])OC1CCCC1)[C@@H]2c1ccc(N(C)C)cc1 C1CCC(C1)O[*:1] COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)C(=C([O-])[*:1])[C@@H]2c1ccc(cc1)N(C)C
COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/[O-])OC1CCCC1)[C@@H]2c1ccc(N(C)C)cc1 CN(C)[*:1] COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/[O-])OC1CCCC1)[C@@H]2c1ccc(cc1)[*:1]
CC(C)(C)c1nc(C(=O)N2CC([NH3+])C2)n[nH]1 CC(C)(C)[*:1] [NH3+]C1CN(C1)C(=O)c1n[nH]c(n1)[*:1]
Cc1noc(C)c1CC(=O)OCc1ccccc1N1CCCCC1 Cc1noc(C)c1[*:1] O=C(C[*:1])OCc1ccccc1N1CCCCC1
Cc1noc(C)c1CC(=O)OCc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] Cc1noc(C)c1CC(=O)OCc1ccccc1[*:1]
Cc1noc(C)c1CC(=O)OCc1ccccc1N1CCCCC1 Cc1noc(C)c1C[*:1] O=C(OCc1ccccc1N1CCCCC1)[*:1]
Cc1csc(=O)n1CCC(=O)N1CCN(CCOC(C)C)CC1 Cc1csc(=O)n1[*:1] CC(C)OCCN1CCN(CC1)C(=O)CC[*:1]
Cc1csc(=O)n1CCC(=O)N1CCN(CCOC(C)C)CC1 CC(C)OCC[*:1] Cc1csc(=O)n1CCC(=O)N1CCN(CC1)[*:1]
Cc1csc(=O)n1CCC(=O)N1CCN(CCOC(C)C)CC1 CC(C)[*:1] Cc1csc(=O)n1CCC(=O)N1CCN(CCO[*:1])CC1
Cc1csc(=O)n1CCC(=O)N1CCN(CCOC(C)C)CC1 CC(C)OC[*:1] Cc1csc(=O)n1CCC(=O)N1CCN(CC1)C[*:1]
Cc1csc(=O)n1CCC(=O)N1CCN(CCOC(C)C)CC1 CC(C)O[*:1] Cc1csc(=O)n1CCC(=O)N1CCN(CC1)CC[*:1]
Cc1ccc(CN(C)[C@@H](C)c2nc(-c3ccccc3C)no2)s1 Cc1ccc(C[*:1])s1 Cc1ccccc1-c1noc(n1)[C@H](C)N(C)[*:1]
Cc1ccc(CN(C)[C@@H](C)c2nc(-c3ccccc3C)no2)s1 Cc1ccc(s1)[*:1] Cc1ccccc1-c1noc(n1)[C@H](C)N(C)C[*:1]
Cc1ccc(CN(C)[C@@H](C)c2nc(-c3ccccc3C)no2)s1 Cc1ccccc1[*:1] Cc1ccc(CN(C)[C@@H](C)c2nc(no2)[*:1])s1
O=C(CC1=CCCCC1)N[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(CC1=CCCCC1)N[C@H]1CCCN(C1)[*:1]
CNC(=O)C1(NC(=O)[C@H](C)NC(=O)c2ccco2)CCCCC1 c1coc(c1)[*:1] CNC(=O)C1(CCCCC1)NC(=O)[C@H](C)NC(=O)[*:1]
CNC(=O)C1(NC(=O)[C@H](C)NC(=O)c2ccco2)CCCCC1 CNC(=O)[*:1] C[C@H](NC(=O)c1ccco1)C(=O)NC1(CCCCC1)[*:1]
CCc1nn(C)cc1CNC(=O)N(C)Cc1ccc(C(=O)OC)cc1 COC(=O)[*:1] CCc1nn(C)cc1CNC(=O)N(C)Cc1ccc(cc1)[*:1]
CCc1nn(C)cc1CNC(=O)N(C)Cc1ccc(C(=O)OC)cc1 CCc1nn(C)cc1[*:1] COC(=O)c1ccc(cc1)CN(C)C(=O)NC[*:1]
C[C@@H](NC(=O)CN1CCN([C@H](c2ccccc2)c2[nH+]ccn2C)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1CCN(CC1)[C@H](c1[nH+]ccn1C)[*:1])c1ccccc1
C[C@@H](NC(=O)CN1CCN([C@H](c2ccccc2)c2[nH+]ccn2C)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1CCN(CC1)[C@H](c1ccccc1)c1[nH+]ccn1C)[*:1]
C[C@@H](NC(=O)CN1CCN([C@H](c2ccccc2)c2[nH+]ccn2C)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] Cn1cc[nH+]c1[C@@H](c1ccccc1)N1CCN(CC1)CC(=O)N[*:1]
COc1ccccc1CN(CCO)C(=O)Nc1cccc(Cl)c1 OCC[*:1] COc1ccccc1CN(C(=O)Nc1cccc(Cl)c1)[*:1]
COc1ccccc1CN(CCO)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1ccccc1CN(CCO)C(=O)N[*:1]
COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2c[nH]c3ccccc23)cc1 O=C(C[*:1])N1CCCCC1 COc1ccc(cc1)-n1c(nnc1-c1c[nH]c2ccccc12)S[*:1]
COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2c[nH]c3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1[*:1])N1CCCCC1
COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)N1CCCCC1
COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2c[nH]c3ccccc23)cc1 O=C(CS[*:1])N1CCCCC1 COc1ccc(cc1)-n1c(nnc1[*:1])-c1c[nH]c2ccccc12
COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2c[nH]c3ccccc23)cc1 O=C(N1CCCCC1)[*:1] COc1ccc(cc1)-n1c(nnc1-c1c[nH]c2ccccc12)SC[*:1]
C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C FC(F)(F)[*:1] C[C@H](NC(=O)c1ccc(cc1[N+](=O)[O-])[*:1])C(C)(C)C
C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C O=[N+]([O-])[*:1] C[C@H](NC(=O)c1ccc(cc1[*:1])C(F)(F)F)C(C)(C)C
C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C C[C@H](C(C)(C)C)[*:1] O=C(N[*:1])c1ccc(cc1[N+](=O)[O-])C(F)(F)F
CCc1ccccc1NC(=O)[C@@H](C)n1nc(-c2cc(C)ccc2C)ccc1=O CCc1ccccc1[*:1] Cc1ccc(C)c(c1)-c1ccc(=O)n(n1)[C@H](C)C(=O)N[*:1]
CCc1ccccc1NC(=O)[C@@H](C)n1nc(-c2cc(C)ccc2C)ccc1=O Cc1ccc(C)c(c1)[*:1] CCc1ccccc1NC(=O)[C@@H](C)n1nc(ccc1=O)[*:1]
COC[C@](C)(NC(=O)CS(=O)(=O)C(C)C)c1ccccc1 CC(C)S(=O)(=O)[*:1] COC[C@](C)(NC(=O)C[*:1])c1ccccc1
COC[C@](C)(NC(=O)CS(=O)(=O)C(C)C)c1ccccc1 CC(C)[*:1] COC[C@](C)(NC(=O)CS(=O)(=O)[*:1])c1ccccc1
COC[C@](C)(NC(=O)CS(=O)(=O)C(C)C)c1ccccc1 COC[*:1] CC(C)S(=O)(=O)CC(=O)N[C@@](C)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)CS(=O)(=O)C(C)C)c1ccccc1 CC(C)S(=O)(=O)C[*:1] COC[C@](C)(NC(=O)[*:1])c1ccccc1
COC[C@](C)(NC(=O)CS(=O)(=O)C(C)C)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)CS(=O)(=O)C(C)C)[*:1]
COc1cc([N+](=O)[O-])ccc1C(OC(C)=O)OC(C)=O O=[N+]([O-])[*:1] COc1cc(ccc1C(OC(C)=O)OC(C)=O)[*:1]
COc1cc([N+](=O)[O-])ccc1C(OC(C)=O)OC(C)=O CC(=O)O[*:1] COc1cc(ccc1C(OC(C)=O)[*:1])[N+](=O)[O-]
Cc1c(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H]1[C@H]2CCO[C@@H]2C1(C)C
CC(C)[C@@](C)(O)C1(C[NH3+])CCOCC1 CC(C)[*:1] C[C@@](O)(C1(C[NH3+])CCOCC1)[*:1]
O=C(CCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] O=C(CCC(=O)[*:1])N1CCC(CC1)c1nc2ccccc2s1
O=C(CCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc2ccccc2c1 c1ccc2sc(nc2c1)[*:1] O=C(CCC(=O)N1CCC(CC1)[*:1])c1ccc2ccccc2c1
CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)CC1 O=C([O-])[*:1] CC(=O)N1CCCN(CC1)S(=O)(=O)c1ccc(C)c(c1)[*:1]
COC(=O)c1cn(C[C@@H](O)c2ccc(C(C)C)cc2)nn1 CC(C)[*:1] COC(=O)c1cn(C[C@@H](O)c2ccc(cc2)[*:1])nn1
COC(=O)c1cn(C[C@@H](O)c2ccc(C(C)C)cc2)nn1 COC(=O)[*:1] CC(C)c1ccc(cc1)[C@H](O)Cn1cc(nn1)[*:1]
Cn1c(SCC(=O)NCCC(C)(C)C)nc2cc3ccccc3cc2c1=O CC(C)(C)C[*:1] Cn1c(nc2cc3ccccc3cc2c1=O)SCC(=O)NC[*:1]
Cn1c(SCC(=O)NCCC(C)(C)C)nc2cc3ccccc3cc2c1=O CC(C)(C)[*:1] Cn1c(nc2cc3ccccc3cc2c1=O)SCC(=O)NCC[*:1]
Cn1c(SCC(=O)NCCC(C)(C)C)nc2cc3ccccc3cc2c1=O CC(C)(C)CC[*:1] Cn1c(nc2cc3ccccc3cc2c1=O)SCC(=O)N[*:1]
Cn1c(SCC(=O)NCCC(C)(C)C)nc2cc3ccccc3cc2c1=O CC(C)(C)CCNC(=O)[*:1] Cn1c(nc2cc3ccccc3cc2c1=O)SC[*:1]
O=C(CCS(=O)(=O)c1ccccc1)N1CCC(Cn2cnc3ccccc32)CC1 c1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])N1CCC(CC1)Cn1cnc2ccccc21
O=C(CCS(=O)(=O)c1ccccc1)N1CCC(Cn2cnc3ccccc32)CC1 c1ccc2c(c1)ncn2[*:1] O=C(CCS(=O)(=O)c1ccccc1)N1CCC(CC1)C[*:1]
O=C(CCS(=O)(=O)c1ccccc1)N1CCC(Cn2cnc3ccccc32)CC1 O=S(=O)(c1ccccc1)[*:1] O=C(CC[*:1])N1CCC(CC1)Cn1cnc2ccccc21
CCc1ccc2oc([C@@H]([NH3+])CCO)nc2c1 OCC[*:1] CCc1ccc2oc(nc2c1)[C@@H]([NH3+])[*:1]
Cc1ccc(Sc2ccc(NC(=O)N3CCC[C@@H](CO)C3)cc2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1ccc(cc1)S[*:1])N1CCC[C@@H](CO)C1
Cc1occc1C(=O)Nn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3 Cc1occc1[*:1] C[C@@H]1CCc2c(C1)sc1[nH]c(=S)n(NC(=O)[*:1])c(=O)c21
CCN(CC)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N1CC[NH+](C3CCCCC3)CC1)n2C CCN(CC)S(=O)(=O)[*:1] Cn1c(cc2cc(ccc21)[*:1])C(=O)N1CC[NH+](CC1)C1CCCCC1
CNC(=O)c1ccc(C)c(NC(=O)c2cc3ccccc3[nH]2)c1 CNC(=O)[*:1] Cc1ccc(cc1NC(=O)c1cc2ccccc2[nH]1)[*:1]
CCOC(=O)CCCc1nc2cc([N+](=O)[O-])ccc2n1C CCOC(=O)C[*:1] Cn1c(CC[*:1])nc2cc(ccc21)[N+](=O)[O-]
CCOC(=O)CCCc1nc2cc([N+](=O)[O-])ccc2n1C CCOC(=O)CC[*:1] Cn1c(C[*:1])nc2cc(ccc21)[N+](=O)[O-]
CCOC(=O)CCCc1nc2cc([N+](=O)[O-])ccc2n1C O=[N+]([O-])[*:1] CCOC(=O)CCCc1nc2cc(ccc2n1C)[*:1]
CCOC(=O)CCCc1nc2cc([N+](=O)[O-])ccc2n1C CCOC(=O)[*:1] Cn1c(CCC[*:1])nc2cc(ccc21)[N+](=O)[O-]
COc1cc(OC)c(C(=O)N(C)CCC(C)C)cc1OC CC(C)[*:1] COc1cc(OC)c(cc1OC)C(=O)N(C)CC[*:1]
COc1cc(OC)c(C(=O)N(C)CCC(C)C)cc1OC CC(C)CC[*:1] COc1cc(OC)c(cc1OC)C(=O)N(C)[*:1]
COc1cc(OC)c(C(=O)N(C)CCC(C)C)cc1OC CC(C)C[*:1] COc1cc(OC)c(cc1OC)C(=O)N(C)C[*:1]
CCN(CCc1nccs1)C(=O)N[C@@H]1CCCc2ccc(F)cc21 c1csc(CC[*:1])n1 CCN(C(=O)N[C@@H]1CCCc2ccc(F)cc21)[*:1]
CCN(CCc1nccs1)C(=O)N[C@@H]1CCCc2ccc(F)cc21 c1csc(n1)[*:1] CCN(CC[*:1])C(=O)N[C@@H]1CCCc2ccc(F)cc21
CCN(CCc1nccs1)C(=O)N[C@@H]1CCCc2ccc(F)cc21 c1csc(C[*:1])n1 CCN(C[*:1])C(=O)N[C@@H]1CCCc2ccc(F)cc21
Cc1ccc(F)cc1-n1nnc(C(=O)N2CCC[NH+](C)CC2)c1C Cc1ccc(F)cc1[*:1] Cc1c(nnn1[*:1])C(=O)N1CCC[NH+](C)CC1
COCC[NH2+]Cc1cn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)nn1 COC[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)n1cc(C[NH2+]C[*:1])nn1
COCC[NH2+]Cc1cn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)nn1 COCC[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)n1cc(C[NH2+][*:1])nn1
COCC[NH2+]Cc1cn([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)nn1 CS(=O)(=O)[*:1] COCC[NH2+]Cc1cn(nn1)[C@@H]1CCC[C@@H](C1)[*:1]
CN(CCCC(=O)[O-])C(=O)c1c[nH]nc1-c1ccccc1 O=C([O-])C[*:1] CN(CC[*:1])C(=O)c1c[nH]nc1-c1ccccc1
CN(CCCC(=O)[O-])C(=O)c1c[nH]nc1-c1ccccc1 O=C([O-])[*:1] CN(CCC[*:1])C(=O)c1c[nH]nc1-c1ccccc1
CN(CCCC(=O)[O-])C(=O)c1c[nH]nc1-c1ccccc1 c1ccc(cc1)[*:1] CN(CCCC(=O)[O-])C(=O)c1c[nH]nc1[*:1]
CN(CCCC(=O)[O-])C(=O)c1c[nH]nc1-c1ccccc1 O=C([O-])CC[*:1] CN(C[*:1])C(=O)c1c[nH]nc1-c1ccccc1
CN(CCCC(=O)[O-])C(=O)c1c[nH]nc1-c1ccccc1 O=C([O-])CCC[*:1] CN(C(=O)c1c[nH]nc1-c1ccccc1)[*:1]
CC1(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)Cc2ccccc2C1 FC(F)(F)[*:1] CC1(CNC(=O)Cn2cc(ccc2=O)[*:1])Cc2ccccc2C1
CC(C)COCCCNC(=O)Nn1cnc2ccccc21 CC(C)CO[*:1] O=C(NCCC[*:1])Nn1cnc2ccccc21
CC(C)COCCCNC(=O)Nn1cnc2ccccc21 CC(C)C[*:1] O=C(NCCCO[*:1])Nn1cnc2ccccc21
CC(C)COCCCNC(=O)Nn1cnc2ccccc21 CC(C)COC[*:1] O=C(NCC[*:1])Nn1cnc2ccccc21
CC(C)COCCCNC(=O)Nn1cnc2ccccc21 CC(C)[*:1] O=C(NCCCOC[*:1])Nn1cnc2ccccc21
CC(C)COCCCNC(=O)Nn1cnc2ccccc21 CC(C)COCC[*:1] O=C(NC[*:1])Nn1cnc2ccccc21
Cc1ccc(NC(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1csc2nc(nn12)-c1ccccc1F)N[*:1]
Cc1ccc(NC(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)NCCc1csc2nc(nn12)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc(Oc2cccnc2)nc1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)Nc1ccc(nc1)Oc1cccnc1
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)O[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc(nc1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc(Oc2cccnc2)nc1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)Nc1ccc(nc1)Oc1cccnc1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc(nc1)O[*:1]
CC[C@@H]1CCCCN1c1ncccc1C(N)=S NC(=S)[*:1] CC[C@@H]1CCCCN1c1ncccc1[*:1]
CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(F)cc1Br Fc1ccc(c(Br)c1)[*:1] CCN(CC(=O)Nc1cccc(c1)OC)C(=O)[*:1]
CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(F)cc1Br COc1cccc(c1)[*:1] CCN(CC(=O)N[*:1])C(=O)c1ccc(F)cc1Br
CC(C)CC1(C[NH2+][C@@H]2CCCC[C@@H]2O)CCCC1 CC(C)[*:1] O[C@H]1CCCC[C@H]1[NH2+]CC1(CCCC1)C[*:1]
CC(C)CC1(C[NH2+][C@@H]2CCCC[C@@H]2O)CCCC1 CC(C)C[*:1] O[C@H]1CCCC[C@H]1[NH2+]CC1(CCCC1)[*:1]
Cc1ccc(Cn2nccc2NC(=O)Cc2csc(C)n2)o1 Cc1ccc(o1)[*:1] Cc1nc(cs1)CC(=O)Nc1ccnn1C[*:1]
Cc1ccc(Cn2nccc2NC(=O)Cc2csc(C)n2)o1 Cc1ccc(C[*:1])o1 Cc1nc(cs1)CC(=O)Nc1ccnn1[*:1]
Cc1ccc(Cn2nccc2NC(=O)Cc2csc(C)n2)o1 Cc1nc(cs1)C[*:1] Cc1ccc(Cn2nccc2NC(=O)[*:1])o1
Cc1ccc(Cn2nccc2NC(=O)Cc2csc(C)n2)o1 Cc1nc(cs1)[*:1] Cc1ccc(Cn2nccc2NC(=O)C[*:1])o1
CC[NH+]1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)c2nnnn2C2CCCCC2)CC1 C1CCC(CC1)n1nnnc1[*:1] CC[NH+]1CCN(CC1)[C@H](c1cc2cc3OCCOc3cc2[nH]c1=O)[*:1]
CC[NH+]1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)c2nnnn2C2CCCCC2)CC1 C1CCC(CC1)[*:1] CC[NH+]1CCN(CC1)[C@H](c1cc2cc3OCCOc3cc2[nH]c1=O)c1nnnn1[*:1]
CN(C)c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 CN(C)[*:1] O=C(NCC#Cc1cccc(c1)C(F)(F)F)c1ccc(cc1)[*:1]
CN(C)c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] CN(C)c1ccc(cc1)C(=O)NCC#Cc1cccc(c1)[*:1]
C[C@H]1CN(C(=O)Nc2cccc(CS(C)(=O)=O)c2)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](O1)[*:1])C(=O)Nc1cccc(c1)CS(C)(=O)=O
C[C@H]1CN(C(=O)Nc2cccc(CS(C)(=O)=O)c2)C[C@@H](c2ccccc2)O1 CS(=O)(=O)[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)Nc1cccc(c1)C[*:1]
C[C@H]1CN(C(=O)Nc2cccc(CS(C)(=O)=O)c2)C[C@@H](c2ccccc2)O1 CS(=O)(=O)C[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)Nc1cccc(c1)[*:1]
Cc1nc(CSc2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc2)cs1 Cc1nc(cs1)C[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)c1ccc(cc1)S[*:1]
Cc1nc(CSc2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc2)cs1 Cc1nc(cs1)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)c1ccc(cc1)SC[*:1]
Cc1nc(CSc2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc2)cs1 Cc1nc(cs1)CS[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)c1ccc(cc1)[*:1]
C#CCN1CCC(C(=O)N2CCC[C@@H]2c2ccc(C(C)C)cc2)CC1 C#CC[*:1] CC(C)c1ccc(cc1)[C@H]1CCCN1C(=O)C1CCN(CC1)[*:1]
C#CCN1CCC(C(=O)N2CCC[C@@H]2c2ccc(C(C)C)cc2)CC1 CC(C)[*:1] C#CCN1CCC(CC1)C(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
Cc1noc(CCCC(=O)Nc2cnn(C)c2)n1 Cc1noc(n1)[*:1] Cn1cc(cn1)NC(=O)CCC[*:1]
Cc1noc(CCCC(=O)Nc2cnn(C)c2)n1 Cn1cc(cn1)[*:1] Cc1noc(CCCC(=O)N[*:1])n1
Cc1c(C(=O)N[C@H]2CCc3ccccc32)nnn1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)N[C@H]1CCc2ccccc21
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1[nH+]cccc1O c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(=N1)[*:1])Nc1[nH+]cccc1O
CO[C@H](CNC(=O)c1cccc(NC(=O)NC(C)C)c1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](CNC(=O)c1cccc(c1)NC(=O)NC(C)C)[*:1]
CO[C@H](CNC(=O)c1cccc(NC(=O)NC(C)C)c1)c1ccccc1 CC(C)NC(=O)N[*:1] CO[C@H](CNC(=O)c1cccc(c1)[*:1])c1ccccc1
CO[C@H](CNC(=O)c1cccc(NC(=O)NC(C)C)c1)c1ccccc1 CC(C)[*:1] CO[C@H](CNC(=O)c1cccc(c1)NC(=O)N[*:1])c1ccccc1
CCc1nc(CNc2cccc(C(=O)N3CCSCC3)c2C)no1 CCc1nc(C[*:1])no1 Cc1c(cccc1C(=O)N1CCSCC1)N[*:1]
CCc1nc(CNc2cccc(C(=O)N3CCSCC3)c2C)no1 O=C(N1CCSCC1)[*:1] CCc1nc(CNc2cccc(c2C)[*:1])no1
CCc1nc(CNc2cccc(C(=O)N3CCSCC3)c2C)no1 CCc1nc(no1)[*:1] Cc1c(cccc1C(=O)N1CCSCC1)NC[*:1]
O=[N+]([O-])c1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1F Clc1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1F)NS(=O)(=O)C[*:1]
O=[N+]([O-])c1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1F O=[N+]([O-])[*:1] O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(F)c(c1)[*:1]
C[NH+](Cc1coc(-c2cccs2)n1)CC(C)(C)O CC(C)(O)C[*:1] C[NH+](Cc1coc(n1)-c1cccs1)[*:1]
C[NH+](Cc1coc(-c2cccs2)n1)CC(C)(C)O c1csc(c1)[*:1] C[NH+](Cc1coc(n1)[*:1])CC(C)(C)O
C[NH+](Cc1coc(-c2cccs2)n1)CC(C)(C)O CC(C)(O)[*:1] C[NH+](Cc1coc(n1)-c1cccs1)C[*:1]
CCN(Cc1cccc(NC(=O)c2ccnc(OC(C)(C)C)c2)c1)C(C)=O CC(C)(C)O[*:1] CCN(Cc1cccc(c1)NC(=O)c1ccnc(c1)[*:1])C(C)=O
CCN(Cc1cccc(NC(=O)c2ccnc(OC(C)(C)C)c2)c1)C(C)=O CCN(C(C)=O)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)Nc1cccc(c1)C[*:1]
CCN(Cc1cccc(NC(=O)c2ccnc(OC(C)(C)C)c2)c1)C(C)=O CC(C)(C)[*:1] CCN(Cc1cccc(c1)NC(=O)c1ccnc(c1)O[*:1])C(C)=O
CCN(Cc1cccc(NC(=O)c2ccnc(OC(C)(C)C)c2)c1)C(C)=O CCN(C[*:1])C(C)=O CC(C)(C)Oc1cc(ccn1)C(=O)Nc1cccc(c1)[*:1]
CCOC(=O)c1cnn2c(N)c(C(=O)Nc3ccccc3Cl)nnc12 CCOC(=O)[*:1] Nc1c(nnc2c(cnn12)[*:1])C(=O)Nc1ccccc1Cl
CCOC(=O)c1cnn2c(N)c(C(=O)Nc3ccccc3Cl)nnc12 Clc1ccccc1[*:1] CCOC(=O)c1cnn2c(N)c(nnc12)C(=O)N[*:1]
O=C([C@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)c2ccccc2O1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C([C@@H]1COc2ccccc2O1)N1C[C@@H](Oc2ccccc21)[*:1]
COc1cc(C(=O)NCC2CCCCC2)ccc1OC1CCN(C(C)=O)CC1 C1CCC(CC1)C[*:1] COc1cc(ccc1OC1CCN(CC1)C(C)=O)C(=O)N[*:1]
COc1cc(C(=O)NCC2CCCCC2)ccc1OC1CCN(C(C)=O)CC1 C1CCC(CC1)[*:1] COc1cc(ccc1OC1CCN(CC1)C(C)=O)C(=O)NC[*:1]
COc1cc(C(=O)NCC2CCCCC2)ccc1OC1CCN(C(C)=O)CC1 CC(=O)N1CCC(CC1)[*:1] COc1cc(ccc1O[*:1])C(=O)NCC1CCCCC1
O=c1c([N-]S(=O)(=O)c2cn[nH]c2)cccn1Cc1ccc(F)cc1 c1n[nH]cc1[*:1] O=c1c(cccn1Cc1ccc(F)cc1)[N-]S(=O)(=O)[*:1]
O=c1c([N-]S(=O)(=O)c2cn[nH]c2)cccn1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=c1c(cccn1C[*:1])[N-]S(=O)(=O)c1cn[nH]c1
O=c1c([N-]S(=O)(=O)c2cn[nH]c2)cccn1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=c1c(cccn1[*:1])[N-]S(=O)(=O)c1cn[nH]c1
CCc1cc(O)n2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)cc2n1 C1CO[C@H](C1)[*:1] CCc1cc(O)n2nc(cc2n1)[C@H]1CCCN1C(=O)[*:1]
C[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C[C@H]1n1cc[nH+]c1 CC(C)(C)[*:1] C[C@@H]1CCN(C[C@H]1n1cc[nH+]c1)C(=O)C(=O)Nc1ccnn1[*:1]
CCC(C)(C)Nc1ncnc2sc(C)cc12 CCC(C)(C)[*:1] Cc1cc2c(ncnc2s1)N[*:1]
C[S@](=O)c1ccc(C[NH2+]Cc2cc(F)ccc2Br)cc1 C[S@](=O)[*:1] Fc1ccc(Br)c(c1)C[NH2+]Cc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)c(Br)c1 CCOC(=O)[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1Br)[*:1])C(N)=O
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)c(Br)c1 C[C@@H](C(N)=O)[*:1] CCOC(=O)c1ccc(c(Br)c1)S(=O)(=O)N[*:1]
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)c(Br)c1 NC(=O)[*:1] CCOC(=O)c1ccc(c(Br)c1)S(=O)(=O)N[C@@H](C)[*:1]
Cc1ccc(N2CCC(NC(=O)CC3CCC3)CC2)[nH+]c1 C1CC(C1)[*:1] Cc1ccc([nH+]c1)N1CCC(CC1)NC(=O)C[*:1]
Cc1ccc(N2CCC(NC(=O)CC3CCC3)CC2)[nH+]c1 C1CC(C1)C[*:1] Cc1ccc([nH+]c1)N1CCC(CC1)NC(=O)[*:1]
CNC(=O)c1ccc(Cl)cc1NC(=O)CCNC(=O)[C@@H]1C[C@H]1C CNC(=O)[*:1] C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cc(Cl)ccc1[*:1]
CN(C(=O)CN1CC[NH+]([C@H]2CCC[C@H](C3CC3)C2)CC1)C1CCCCC1 C1CC1[*:1] CN(C(=O)CN1CC[NH+](CC1)[C@H]1CCC[C@H](C1)[*:1])C1CCCCC1
CN(C(=O)CN1CC[NH+]([C@H]2CCC[C@H](C3CC3)C2)CC1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)CN1CC[NH+](CC1)[C@H]1CCC[C@@H](C1)C1CC1)[*:1]
O=C(O[C@@H](c1ccccc1)c1nccs1)c1ccc2c(c1)COCO2 c1ccc(cc1)[*:1] O=C(O[C@@H](c1nccs1)[*:1])c1ccc2OCOCc2c1
O=C(O[C@@H](c1ccccc1)c1nccs1)c1ccc2c(c1)COCO2 c1csc(n1)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])c1ccc2OCOCc2c1
CCOC(=O)CC[C@@H](C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 CCOC(=O)C[*:1] C[C@H](C[*:1])NC(=O)N1CC[C@H]1c1ccc(Cl)cc1
CCOC(=O)CC[C@@H](C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 CCOC(=O)CC[*:1] C[C@@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)[*:1]
CCOC(=O)CC[C@@H](C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 CCOC(=O)[*:1] C[C@H](CC[*:1])NC(=O)N1CC[C@H]1c1ccc(Cl)cc1
CCOC(=O)CC[C@@H](C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)CC[C@@H](C)NC(=O)N1CC[C@@H]1[*:1]
CCOC(=O)c1cccc(N[C@H]2CSCC(C)(C)C2)c1 CCOC(=O)[*:1] CC1(C)CSC[C@@H](C1)Nc1cccc(c1)[*:1]
Cn1cnc(CNC(=O)Nc2ccc(-n3cccn3)cc2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])Nc1ccc(cc1)-n1cccn1
Cn1cnc(CNC(=O)Nc2ccc(-n3cccn3)cc2)n1 Cn1cnc(C[*:1])n1 O=C(Nc1ccc(cc1)-n1cccn1)N[*:1]
Cn1cnc(CNC(=O)Nc2ccc(-n3cccn3)cc2)n1 c1cnn(c1)[*:1] Cn1cnc(CNC(=O)Nc2ccc(cc2)[*:1])n1
CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O CCN(CC)C(=O)C[*:1] C[C@H]([NH2+][C@@H]1CCCN(C1=O)c1ccn(C)n1)[*:1]
CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O Cn1ccc(n1)[*:1] CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCCN(C1=O)[*:1]
CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O CCN(CC)C(=O)[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCCN(C1=O)c1ccn(C)n1
O=C(Cc1ccc[nH]1)NC[C@H]1Cc2ccccc2O1 c1c[nH]c(c1)C[*:1] O=C(NC[C@H]1Cc2ccccc2O1)[*:1]
O=C(Cc1ccc[nH]1)NC[C@H]1Cc2ccccc2O1 c1c[nH]c(c1)[*:1] O=C(C[*:1])NC[C@H]1Cc2ccccc2O1
Cc1ccc(NC(=O)[C@@H]2[C@@H](C)Nc3ncnn3[C@H]2c2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@@H]2[C@@H](C)Nc3ncnn3[C@@H]2[*:1])c(C)c1
Cc1ccc(NC(=O)[C@@H]2[C@@H](C)Nc3ncnn3[C@H]2c2ccc(Cl)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H]1Nc2ncnn2[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)N[*:1]
CCOC(=O)N[C@@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CCOC(=O)N[C@@H]1CCCN(C1)[C@H](C(N)=O)[*:1]
CCOC(=O)N[C@@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1 CCOC(=O)N[*:1] NC(=O)[C@H](c1ccccc1)N1CCC[C@H](C1)[*:1]
CCOC(=O)N[C@@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1 NC(=O)[*:1] CCOC(=O)N[C@@H]1CCCN(C1)[C@H](c1ccccc1)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)c1nnn(-c2ccccc2Cl)c1C C1C[C@H](CO1)C[*:1] CCN(C(=O)c1nnn(-c2ccccc2Cl)c1C)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)c1nnn(-c2ccccc2Cl)c1C Clc1ccccc1[*:1] CCN(C[C@@H]1CCOC1)C(=O)c1nnn(c1C)[*:1]
Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)cc1N1CCOC1=O O=C1OCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H]1C[C@@H]1c1ccco1
Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)cc1N1CCOC1=O c1coc(c1)[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)[C@H]1C[C@H]1[*:1]
CCc1nn(C)c(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c1[N+](=O)[O-] CC(C)c1csc(n1)[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N1CCC[C@@H](C1)[*:1]
CCc1nn(C)c(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(c1[*:1])N1CCC[C@H](C1)c1nc(cs1)C(C)C
CCc1nn(C)c(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c1[N+](=O)[O-] CC(C)[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N1CCC[C@H](C1)c1nc(cs1)[*:1]
CCC(C)(C)NC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O FC(F)(F)[*:1] CCC(C)(C)NC(=O)CN(C)c1ccc(cc1C=O)[*:1]
CCC(C)(C)NC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O CCC(C)(C)[*:1] CN(CC(=O)N[*:1])c1ccc(cc1C=O)C(F)(F)F
C1=C(CN[C@@H](Cn2cncn2)c2ccccc2)COc2ccccc21 c1ncn(n1)[*:1] C1=C(CN[C@@H](C[*:1])c2ccccc2)COc2ccccc21
C1=C(CN[C@@H](Cn2cncn2)c2ccccc2)COc2ccccc21 c1ccc(cc1)[*:1] C1=C(CN[C@@H](Cn2cncn2)[*:1])COc2ccccc21
C1=C(CN[C@@H](Cn2cncn2)c2ccccc2)COc2ccccc21 c1ncn(C[*:1])n1 C1=C(CN[C@@H](c2ccccc2)[*:1])COc2ccccc21
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2Cl)s1 Cc1nc(C)c(s1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2ccccc2Cl)N1Cc1ccccc1)[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2Cl)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1Cl
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2Cl)s1 c1ccc(cc1)C[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1Cl)[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2Cl)s1 Clc1ccccc1[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2Cl)s1 Cc1nc(C)c(s1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2Cl)N1Cc1ccccc1
CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] CN(CC(=O)NC1CCCCCC1)S(=O)(=O)[*:1]
CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(Br)s1 C1CCCC(CC1)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc(Br)s1
C=CCC[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 Clc1ccccc1[*:1] C=CCC[C@@H](C)[NH+]1CCN(CC1)C(=O)C[*:1]
C=CCC[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 C=CC[*:1] C[C@H](C[*:1])[NH+]1CCN(CC1)C(=O)Cc1ccccc1Cl
C=CCC[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 C=CCC[*:1] C[C@@H]([NH+]1CCN(CC1)C(=O)Cc1ccccc1Cl)[*:1]
COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC)c(O)c2)c1 COc1ccc(cc1O)[*:1] COc1cccc(c1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC)c(O)c2)c1 COc1cccc(c1)[*:1] COc1ccc(cc1O)[C@@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)[*:1]
C[NH+]1CCN(CCS(=O)(=O)OCC(F)(F)C(F)F)CC1 FC(F)[*:1] C[NH+]1CCN(CC1)CCS(=O)(=O)OCC(F)(F)[*:1]
C[NH+]1CCN(CCS(=O)(=O)OCC(F)(F)C(F)F)CC1 FC(F)C(F)(F)[*:1] C[NH+]1CCN(CC1)CCS(=O)(=O)OC[*:1]
C=C1C=C(C)[C@H](C(=O)/C(C)=C/c2ccc(OCC)cc2)C(=O)N1 CCO[*:1] C=C1C=C(C)[C@@H](C(=O)N1)C(=O)/C(C)=C/c1ccc(cc1)[*:1]
O=C(Cc1cccc2ccccc12)NOCC(=O)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Cc1cccc2ccccc12)NO[*:1]
O=C(Cc1cccc2ccccc12)NOCC(=O)NC1CC1 C1CC1[*:1] O=C(Cc1cccc2ccccc12)NOCC(=O)N[*:1]
O=C(Cc1cccc2ccccc12)NOCC(=O)NC1CC1 O=C(NC1CC1)[*:1] O=C(Cc1cccc2ccccc12)NOC[*:1]
CCCCc1ccc(C(=O)c2cccnc2)cc1 CCCC[*:1] O=C(c1ccc(cc1)[*:1])c1cccnc1
CCCCc1ccc(C(=O)c2cccnc2)cc1 c1cncc(c1)[*:1] CCCCc1ccc(cc1)C(=O)[*:1]
CCCCc1ccc(C(=O)c2cccnc2)cc1 CCC[*:1] O=C(c1ccc(cc1)C[*:1])c1cccnc1
C[C@H](c1ccncn1)N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 c1ccc(cc1)C[*:1] C[C@H](c1ccncn1)N(C)Cc1cn(nc1-c1cc2ccccc2o1)[*:1]
C[C@H](c1ccncn1)N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 c1cc(ncn1)[*:1] C[C@H](N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)[*:1]
C[C@H](c1ccncn1)N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 c1ccc(cc1)[*:1] C[C@H](c1ccncn1)N(C)Cc1cn(C[*:1])nc1-c1cc2ccccc2o1
C[C@H](c1ccncn1)N(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] C[C@H](c1ccncn1)N(C)Cc1cn(Cc2ccccc2)nc1[*:1]
Cc1ccc(C[NH+](CC(=O)NC(=O)NCC(F)(F)F)C2CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)C[NH+](CC(=O)NC(=O)NCC(F)(F)F)[*:1]
Cc1ccc(C[NH+](CC(=O)NC(=O)NCC(F)(F)F)C2CC2)cc1C FC(F)(F)C[*:1] Cc1ccc(cc1C)C[NH+](CC(=O)NC(=O)N[*:1])C1CC1
Cc1ccc(C[NH+](CC(=O)NC(=O)NCC(F)(F)F)C2CC2)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)C[NH+](CC(=O)NC(=O)NC[*:1])C1CC1
Cc1ccc(C[NH+](CC(=O)NC(=O)NCC(F)(F)F)C2CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(C[NH+](C[*:1])C1CC1)NC(=O)NCC(F)(F)F
CC(=O)[C@H](C)CSc1nnnn1-c1cccc(C)c1C CC(=O)[C@H](C)C[*:1] Cc1cccc(c1C)-n1nnnc1S[*:1]
CC(=O)[C@H](C)CSc1nnnn1-c1cccc(C)c1C CC(=O)[*:1] Cc1cccc(c1C)-n1nnnc1SC[C@@H](C)[*:1]
CC(=O)[C@H](C)CSc1nnnn1-c1cccc(C)c1C CC(=O)[C@H](C)[*:1] Cc1cccc(c1C)-n1nnnc1SC[*:1]
Cc1csc(S(=O)(=O)CC(=O)N[C@H]2CCCC[C@H]2C)n1 Cc1csc(n1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)[*:1]
C[C@H]1CCCC[C@H]1OCC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] C[C@H]1CCCC[C@H]1OCC(=O)NCC(C)(C)[*:1]
Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1 Cc1cccc(c1)[*:1] C[NH+]1CCN(CC1)[C@@H](CNS(=O)(=O)[*:1])c1ccc(F)cc1
Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)NC[C@@H](N1CC[NH+](C)CC1)[*:1]
CN(C)c1cccc(C(=O)NC[C@@]2(O)CCOc3ccccc32)c1 CN(C)[*:1] O=C(NC[C@@]1(O)CCOc2ccccc21)c1cccc(c1)[*:1]
CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 CCOC(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@](C)(NCc1nc(-c2ccco2)no1)c1nccs1 c1coc(c1)[*:1] CC[C@](C)(NCc1nc(no1)[*:1])c1nccs1
CC[C@](C)(NCc1nc(-c2ccco2)no1)c1nccs1 c1csc(n1)[*:1] CC[C@](C)(NCc1nc(no1)-c1ccco1)[*:1]
CCN(C)c1ccc(-c2noc(Cn3cnnn3)n2)cc1 c1nnnn1[*:1] CCN(C)c1ccc(cc1)-c1noc(C[*:1])n1
CCN(C)c1ccc(-c2noc(Cn3cnnn3)n2)cc1 c1nnnn1C[*:1] CCN(C)c1ccc(cc1)-c1noc(n1)[*:1]
CCN(C)c1ccc(-c2noc(Cn3cnnn3)n2)cc1 CCN(C)[*:1] c1cc(ccc1-c1noc(Cn2cnnn2)n1)[*:1]
CC(=O)N[C@@H](CCCN1C(=O)c2ccccc2C1=O)c1nnn[n-]1 CC(=O)N[*:1] O=C1c2ccccc2C(=O)N1CCC[C@@H](c1nnn[n-]1)[*:1]
COC(=O)COc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)OC[*:1])c1nn(-c2ccc(F)cc2)c2CCCc12
COC(=O)COc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 COC(=O)CO[*:1] O=C(Nc1cccc(c1)[*:1])c1nn(-c2ccc(F)cc2)c2CCCc12
COC(=O)COc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 COC(=O)C[*:1] O=C(Nc1cccc(c1)O[*:1])c1nn(-c2ccc(F)cc2)c2CCCc12
COC(=O)COc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 Fc1ccc(cc1)[*:1] COC(=O)COc1cccc(c1)NC(=O)c1nn(c2CCCc12)[*:1]
CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3F)nc21 COC(=O)[*:1] CCn1c(=S)[nH]c(=O)c2c(cc(nc21)-c1ccccc1F)[*:1]
CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3F)nc21 Fc1ccccc1[*:1] CCn1c(=S)[nH]c(=O)c2c(cc(nc21)[*:1])C(=O)OC
C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 c1csc(c1)[*:1] C[C@](O)(CNC(=O)c1ccc(cc1Cl)[N+](=O)[O-])[*:1]
C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 O=[N+]([O-])[*:1] C[C@](O)(CNC(=O)c1ccc(cc1Cl)[*:1])c1cccs1
Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 O=C1CCCN1[*:1] Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 Cc1ncccc1O[*:1] O=C1CCCN1CC(=O)N1CCC[C@@H](C1)c1nccnc1[*:1]
Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 O=C1CCCN1C[*:1] Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ncccc1Oc1nccnc1[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 Cc1ncccc1[*:1] O=C1CCCN1CC(=O)N1CCC[C@@H](C1)c1nccnc1O[*:1]
COC(C)(C)C[C@H](C)NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 COC(C)(C)C[*:1] C[C@H](NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1)[*:1]
COC(C)(C)C[C@H](C)NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 COC(C)(C)[*:1] C[C@@H](C[*:1])NC(=O)N(C)[C@@H]1CCC[C@@H](C)C1
O=C1C(=O)N(CC[C@H]2CCCC2=O)c2cc(F)cc(F)c21 O=C1CCC[C@@H]1[*:1] O=C1C(=O)N(CC[*:1])c2cc(F)cc(F)c21
O=C1C(=O)N(CC[C@H]2CCCC2=O)c2cc(F)cc(F)c21 O=C1CCC[C@@H]1C[*:1] O=C1C(=O)N(C[*:1])c2cc(F)cc(F)c21
COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)NCc3cccs3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)NCc1cccs1
COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)NCc3cccs3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)NCc1cccs1
COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)NCc3cccs3)C2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CNC(=O)[C@H]1CCCN(C1)C(=O)NC[*:1]
COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)NCc3cccs3)C2)cc1 c1csc(c1)C[*:1] COc1ccc(cc1)CNC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
C[C@@H](Cc1nnc(NC(=O)Cc2ccc(F)cc2)s1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(Cc1ccc(F)cc1)Nc1nnc(C[*:1])s1
C[C@@H](Cc1nnc(NC(=O)Cc2ccc(F)cc2)s1)c1ccccc1 Fc1ccc(cc1)[*:1] C[C@@H](Cc1nnc(NC(=O)C[*:1])s1)c1ccccc1
C[C@@H](Cc1nnc(NC(=O)Cc2ccc(F)cc2)s1)c1ccccc1 Fc1ccc(cc1)C[*:1] C[C@@H](Cc1nnc(NC(=O)[*:1])s1)c1ccccc1
C[C@@H](Cc1nnc(NC(=O)Cc2ccc(F)cc2)s1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1nnc(NC(=O)Cc2ccc(F)cc2)s1)[*:1]
Cc1ccc(Cc2nc(C(=O)NC3(C#N)CCSCC3)cs2)cc1 Cc1ccc(cc1)C[*:1] N#CC1(CCSCC1)NC(=O)c1csc(n1)[*:1]
Cc1ccc(Cc2nc(C(=O)NC3(C#N)CCSCC3)cs2)cc1 Cc1ccc(cc1)[*:1] N#CC1(CCSCC1)NC(=O)c1csc(C[*:1])n1
CCc1nn(C)cc1NC(=O)[C@H](Cc1cccc(OC)c1)NC(C)=O CC(=O)N[*:1] CCc1nn(C)cc1NC(=O)[C@H](Cc1cccc(c1)OC)[*:1]
CCc1nn(C)cc1NC(=O)[C@H](Cc1cccc(OC)c1)NC(C)=O CCc1nn(C)cc1[*:1] COc1cccc(c1)C[C@H](NC(C)=O)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)[C@H](Cc1cccc(OC)c1)NC(C)=O COc1cccc(c1)[*:1] CCc1nn(C)cc1NC(=O)[C@H](C[*:1])NC(C)=O
O=C(c1cc2ncc(Br)cn2n1)N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1cc2ncc(Br)cn2n1)N1CCN(CC1)C[*:1]
O=C(c1cc2ncc(Br)cn2n1)N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(c1cc2ncc(Br)cn2n1)N1CCN(CC1)[*:1]
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1nc(-c2ccccc2)c([nH]1)-c1ccccc1)NC(=O)N[*:1]
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc(-c2ccccc2)c([nH]1)-c1ccccc1)NC(=O)NC[*:1]
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc(c([nH]1)-c1ccccc1)[*:1])NC(=O)NCc1ccccc1
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCC(=O)NCCc2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCC(=O)NCC[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCC(=O)NCCc2ccccc2)C1 c1ccc(cc1)CC[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCC(=O)N[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCC(=O)NCCc2ccccc2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCC(=O)NC[*:1]
O=C(NN=C1CCC(=NNC(=O)c2cccc(Cl)c2)CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NN=C1CCC(CC1)=NNC(=O)[*:1])c1cccc(Cl)c1
CCn1nc(C)c(NC(=O)c2cc3sccc3n2Cc2ccccc2F)c1C CCn1nc(C)c(c1C)[*:1] O=C(N[*:1])c1cc2sccc2n1Cc1ccccc1F
CCn1nc(C)c(NC(=O)c2cc3sccc3n2Cc2ccccc2F)c1C Fc1ccccc1C[*:1] CCn1nc(C)c(NC(=O)c2cc3sccc3n2[*:1])c1C
CCn1nc(C)c(NC(=O)c2cc3sccc3n2Cc2ccccc2F)c1C Fc1ccccc1[*:1] CCn1nc(C)c(NC(=O)c2cc3sccc3n2C[*:1])c1C
O=C(NCCOCc1ccccc1)NC[C@@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)C[*:1] O=C(NCCO[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
O=C(NCCOCc1ccccc1)NC[C@@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)[*:1] O=C(NCCOC[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
O=C(NCCOCc1ccccc1)NC[C@@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)CO[*:1] O=C(NCC[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
CCOC(=O)c1cccc(N[C@@H]2CCC[C@H]2C(N)=O)n1 CCOC(=O)[*:1] NC(=O)[C@@H]1CCC[C@H]1Nc1cccc(n1)[*:1]
CCOC(=O)c1cccc(N[C@@H]2CCC[C@H]2C(N)=O)n1 NC(=O)[*:1] CCOC(=O)c1cccc(n1)N[C@@H]1CCC[C@@H]1[*:1]
COCc1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)OCCCO2 O=[N+]([O-])[*:1] COCc1cc(ccc1NCc1ccc2OCCCOc2c1)[*:1]
COCc1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)OCCCO2 COC[*:1] O=[N+]([O-])c1ccc(NCc2ccc3OCCCOc3c2)c(c1)[*:1]
O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NCCc1ccc(Cl)cc1 Brc1ccc(cc1)[*:1] O=C(CSc1nc(n[nH]1)[*:1])NCCc1ccc(Cl)cc1
O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CSc1nc(n[nH]1)-c1ccc(Br)cc1)NC[*:1]
O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nc(n[nH]1)-c1ccc(Br)cc1)NCC[*:1]
COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(c(c1)[*:1])C(C)C
COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(C)C)c([N+](=O)[O-])c1 CC(C)[*:1] COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(c(c1)[N+](=O)[O-])[*:1]
COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(C)C)c([N+](=O)[O-])c1 COC(=O)[*:1] CC1NC(=S)N[C@H](C=1[*:1])c1ccc(c(c1)[N+](=O)[O-])C(C)C
CCONC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 CCONC(=O)[*:1] CC(C)c1ccc(cc1)-c1nc(cs1)[*:1]
CCONC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 CC(C)[*:1] CCONC(=O)c1csc(n1)-c1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2)CC1 Cc1cccc(c1)[*:1] CC[C@@H](C)NC(=O)[C@H](NC(=O)[*:1])C1CCN(CC1)C(=O)c1ccccc1
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2)CC1 Cc1cccc(c1)C(=O)N[*:1] CC[C@@H](C)NC(=O)[C@H](C1CCN(CC1)C(=O)c1ccccc1)[*:1]
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2)CC1 CC[C@@H](C)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C(=O)N[*:1])C1CCN(CC1)C(=O)c1ccccc1
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(CC1)C(=O)[*:1]
O=C(N[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])c[n-]1 O=[N+]([O-])[*:1] O=C(N[C@@H]1CC[NH2+]C1)c1cc(c[n-]1)[*:1]
Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(c3nccc(C)n3)CC2)on1 Cc1ccnc(n1)[*:1] Cc1cc(on1)-c1cnc(nc1C1CCN(CC1)[*:1])N1CCCC1
Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(c3nccc(C)n3)CC2)on1 Cc1cc(on1)[*:1] Cc1ccnc(n1)N1CCC(CC1)c1nc(ncc1[*:1])N1CCCC1
Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(c3nccc(C)n3)CC2)on1 C1CCN(C1)[*:1] Cc1cc(on1)-c1cnc(nc1C1CCN(CC1)c1nccc(C)n1)[*:1]
C[C@@H]1CN(C(=O)NCc2ncnn2C)C[C@@H](c2ccccc2)O1 Cn1ncnc1[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)NC[*:1]
C[C@@H]1CN(C(=O)NCc2ncnn2C)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](O1)[*:1])C(=O)NCc1ncnn1C
C[C@@H]1CN(C(=O)NCc2ncnn2C)C[C@@H](c2ccccc2)O1 Cn1ncnc1C[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)N[*:1]
COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1[*:1]
CSCC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CSCC[C@H](NC(=O)c1ccc(o1)-c1ccc(F)cc1)[*:1]
CSCC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 CSC[*:1] O=C(N[C@@H](C[*:1])c1nc2ccccc2[nH]1)c1ccc(o1)-c1ccc(F)cc1
CSCC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 CSCC[*:1] O=C(N[C@H](c1nc2ccccc2[nH]1)[*:1])c1ccc(o1)-c1ccc(F)cc1
CSCC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 Fc1ccc(cc1)[*:1] CSCC[C@H](NC(=O)c1ccc(o1)[*:1])c1nc2ccccc2[nH]1
O=[N+]([O-])c1cccc(OCc2nc(-c3ccncc3)no2)c1 c1cc(ccn1)[*:1] O=[N+]([O-])c1cccc(c1)OCc1nc(no1)[*:1]
O=[N+]([O-])c1cccc(OCc2nc(-c3ccncc3)no2)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])OCc1nc(no1)-c1ccncc1
C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 FC(F)(F)[*:1] C[C@@H](Sc1ncc(cc1Cl)[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](Sc1ncc(cc1Cl)C(F)(F)F)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)c1nc(CN(C)C(=O)[C@H]2CC=CCC2)cs1 CC(C)[*:1] CN(Cc1csc(n1)[*:1])C(=O)[C@H]1CC=CCC1
CN(Cc1nc2ccccc2o1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 C1CN(CCO1)[*:1] CN(Cc1nc2ccccc2o1)C(=O)[C@H]1CCC(=O)N(CC[*:1])C1
CN(Cc1nc2ccccc2o1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 C1CN(CCO1)CC[*:1] CN(Cc1nc2ccccc2o1)C(=O)[C@H]1CCC(=O)N(C1)[*:1]
CN(Cc1nc2ccccc2o1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 c1ccc2oc(nc2c1)[*:1] CN(C[*:1])C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1
CN(Cc1nc2ccccc2o1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 C1CN(CCO1)C[*:1] CN(Cc1nc2ccccc2o1)C(=O)[C@H]1CCC(=O)N(C1)C[*:1]
C[C@@H](Sc1nnc(N)s1)C(=O)NC1CCCCCC1 Nc1nnc(s1)[*:1] C[C@@H](S[*:1])C(=O)NC1CCCCCC1
CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccc(F)cc3)[C@H](O)[C@H]2[C@@H]1C Fc1ccc(cc1)C[*:1] CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N[*:1])[C@H](O)[C@H]2[C@@H]1C
CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccc(F)cc3)[C@H](O)[C@H]2[C@@H]1C CCNC(=O)N[*:1] C[C@H](C(=O)NCc1ccc(F)cc1)[C@@H]1CC[C@@]2(C)CC[C@@H]([C@@H](C)[C@@H]2[C@H]1O)[*:1]
CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccc(F)cc3)[C@H](O)[C@H]2[C@@H]1C Fc1ccc(cc1)[*:1] CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NC[*:1])[C@H](O)[C@H]2[C@@H]1C
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CC1CCCC1 C1CCC(C1)[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CC1CCCC1 C1CCC(C1)C[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[*:1]
CCSc1nnc(N)n1[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 CC(=O)[*:1] CCSc1nnc(N)n1[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCSc1nnc(N)n1[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 CCS[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H](C)n1c(N)nnc1[*:1]
C[NH2+][C@@H](CC[C@@H]1CCCCO1)[C@H](C)c1ccccn1 C1CC[C@H](OC1)[*:1] C[NH2+][C@@H](CC[*:1])[C@H](C)c1ccccn1
C[NH2+][C@@H](CC[C@@H]1CCCCO1)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] C[NH2+][C@@H](CC[C@@H]1CCCCO1)[C@H](C)[*:1]
CCOC(=O)c1c[nH+]c2c(OC)cccc2c1N1C[C@@H](C)C[C@@H](C)C1 CCOC(=O)[*:1] COc1cccc2c(c(c[nH+]c12)[*:1])N1C[C@@H](C)C[C@@H](C)C1
Cc1cccc(OC(F)F)c1NC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 C1CC1[*:1] Cc1cccc(OC(F)F)c1NC(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
Cc1cccc(OC(F)F)c1NC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 FC(F)[*:1] Cc1cccc(O[*:1])c1NC(=O)N1CCC[C@@H](C1)C(=O)NCC1CC1
Cc1cccc(OC(F)F)c1NC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 FC(F)O[*:1] Cc1cccc(c1NC(=O)N1CCC[C@@H](C1)C(=O)NCC1CC1)[*:1]
Cc1cccc(OC(F)F)c1NC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 O=C(NCC1CC1)[*:1] Cc1cccc(OC(F)F)c1NC(=O)N1CCC[C@H](C1)[*:1]
Cc1cccc(OC(F)F)c1NC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 C1CC1C[*:1] Cc1cccc(OC(F)F)c1NC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCOC(=O)c1cnc([C@@H]2CSCCO2)nc1[O-] CCOC(=O)[*:1] [O-]c1nc(ncc1[*:1])[C@@H]1CSCCO1
CS(=O)(=O)c1ccccc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] CS(=O)(=O)c1ccccc1C(=O)N1CCC(CC1)[*:1]
CS(=O)(=O)c1ccccc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CS(=O)(=O)c1ccccc1C(=O)N1CCC(CC1)OC[*:1]
CS(=O)(=O)c1ccccc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] CS(=O)(=O)c1ccccc1C(=O)N1CCC(CC1)O[*:1]
CS(=O)(=O)c1ccccc1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 CS(=O)(=O)[*:1] O=C(c1ccccc1[*:1])N1CCC(CC1)OCc1ccc(F)cc1
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N3CCCSc4ccccc43)c12 C1CC1[*:1] Cc1nn(c2nc(cc(C(=O)N3CCCSc4ccccc43)c12)[*:1])[C@H]1CCS(=O)(=O)C1
C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccc(Cl)cc1 FC(F)(F)[*:1] C[C@H]1CC(=O)C2=C(C1)Nc1nc(nn1[C@@H]2c1ccc(Cl)cc1)[*:1]
C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]1CC(=O)C2=C(C1)Nc1nc(nn1[C@H]2[*:1])C(F)(F)F
C[C@H](NCc1ccc(Cl)cc1Cl)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NCc1ccc(Cl)cc1Cl)[C@@H](O)[*:1]
CC[NH2+][C@H](C1CCCC1)[C@H]1C[NH+]2CCN1CC2 C1CCC(C1)[*:1] CC[NH2+][C@H]([C@H]1C[NH+]2CCN1CC2)[*:1]
COc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)C2CCOCC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NC(=O)[C@H]1CC(=O)N(C1)C[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)[*:1]
COc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](C1CCOCC1)[*:1])[C@H]1CC(=O)N(CC2CC2)C1
COc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)C2CCOCC2)cc1 C1CC1C[*:1] COc1ccc(cc1)[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])C1CCOCC1
Cc1c(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC[C@H](C1)[NH2+]Cc1ccccc1
Cc1c(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)cnn1C(C)C c1ccc(cc1)C[*:1] Cc1c(cnn1C(C)C)C(=O)N1CCC[C@H](C1)[NH2+][*:1]
Cc1c(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)cnn1C(C)C c1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)N1CCC[C@H](C1)[NH2+]C[*:1]
CC1(C)CCC(NC(=O)NC[C@@H](O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC1(C)CCC(CC1)NC(=O)NC[C@@H](O)[*:1]
CCCN(Cc1ccccc1)C(=O)[C@@H]1CC[NH2+][C@@H]1C CCC[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N(Cc1ccccc1)[*:1]
CCCN(Cc1ccccc1)C(=O)[C@@H]1CC[NH2+][C@@H]1C c1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)[C@@H]1CC[NH2+][C@@H]1C
CC[C@H](C)[C@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O Clc1ccc2nc(cn2c1)[*:1] CC[C@H](C)[C@H](C(=O)OC[*:1])N1C(=O)c2ccccc2C1=O
CC[C@H](C)[C@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O CC[C@H](C)[*:1] O=C(OCc1cn2cc(Cl)ccc2n1)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
CCc1ccc([C@@H](CO)NC(=O)c2ccn(C(C)C)n2)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)c1ccn(n1)[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NN=C[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccs2)cc1 COc1ccc(cc1)[*:1] CN(CC(=O)N/N=C/c1cccs1)S(=O)(=O)[*:1]
Cc1ncsc1C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 FC(F)(F)O[*:1] Cc1ncsc1C(=O)N1CCCc2cc(ccc21)[*:1]
Cc1ncsc1C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 FC(F)(F)[*:1] Cc1ncsc1C(=O)N1CCCc2cc(ccc21)O[*:1]
Cc1ncsc1C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 Cc1ncsc1[*:1] O=C(N1CCCc2cc(ccc21)OC(F)(F)F)[*:1]
[NH3+][C@@H]1CCC[C@@H](C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 O=C([O-])[*:1] [NH3+][C@@H]1CCC[C@H](C1)C(=O)N1CCO[C@@H](C1)C[*:1]
[NH3+][C@@H]1CCC[C@@H](C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 O=C([O-])C[*:1] [NH3+][C@@H]1CCC[C@H](C1)C(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CCCC[C@@H]1NC(=O)NCC CCC[*:1] CCNC(=O)N[C@H]1CCCC[C@@H]1[*:1]
Cc1ccccc1[C@H]1CCCN(c2ccc(Cn3cc[nH+]c3)cn2)C1 Cc1ccccc1[*:1] c1cn(c[nH+]1)Cc1ccc(nc1)N1CCC[C@@H](C1)[*:1]
Cc1cc2ncc([C@@H](C)[NH2+][C@H](c3nc(C)no3)C(C)C)c(C)n2n1 Cc1noc(n1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)[NH2+][C@H](C(C)C)[*:1]
Cc1cc2ncc([C@@H](C)[NH2+][C@H](c3nc(C)no3)C(C)C)c(C)n2n1 CC(C)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)[NH2+][C@H](c1nc(C)no1)[*:1]
C[C@H]1CC[C@@H](NS(=O)(=O)CCC2CC2)[C@H](C)C1 C1CC1C[*:1] C[C@H]1CC[C@@H](NS(=O)(=O)C[*:1])[C@H](C)C1
C[C@H]1CC[C@@H](NS(=O)(=O)CCC2CC2)[C@H](C)C1 C1CC1CC[*:1] C[C@H]1CC[C@@H](NS(=O)(=O)[*:1])[C@H](C)C1
C[C@H]1CC[C@@H](NS(=O)(=O)CCC2CC2)[C@H](C)C1 C1CC1[*:1] C[C@H]1CC[C@@H](NS(=O)(=O)CC[*:1])[C@H](C)C1
CCc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)s1 FC(F)(F)[*:1] CCc1ccc(s1)C(=O)N1CCC[C@H](C1)[*:1]
CC[NH2+][C@@H]([C@@H]1CCOC2(CCOCC2)C1)[C@@H](C)OC CO[C@H](C)[*:1] CC[NH2+][C@@H]([C@@H]1CCOC2(CCOCC2)C1)[*:1]
O=C1[C@H](N2CC[NH+](Cc3cccc4cn[nH]c34)CC2)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](CCN1[*:1])N1CC[NH+](CC1)Cc1cccc2cn[nH]c12
O=C1[C@H](N2CC[NH+](Cc3cccc4cn[nH]c34)CC2)CCN1c1ccccc1 c1cc(c2[nH]ncc2c1)[*:1] O=C1[C@@H](CCN1c1ccccc1)N1CC[NH+](CC1)C[*:1]
CC(C)(C)n1cc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cn1 FC(F)[*:1] CC(C)(C)n1cc(cn1)NS(=O)(=O)c1ccc(O[*:1])c(Cl)c1
CC(C)(C)n1cc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cn1 FC(F)O[*:1] CC(C)(C)n1cc(cn1)NS(=O)(=O)c1ccc(c(Cl)c1)[*:1]
CC(C)(C)n1cc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cn1 CC(C)(C)[*:1] O=S(=O)(Nc1cnn(c1)[*:1])c1ccc(OC(F)F)c(Cl)c1
O=C(CCn1ccccc1=O)Nc1ccc(-c2nc3ccccc3o2)cc1 O=c1ccccn1[*:1] O=C(CC[*:1])Nc1ccc(cc1)-c1nc2ccccc2o1
O=C(CCn1ccccc1=O)Nc1ccc(-c2nc3ccccc3o2)cc1 c1ccc2oc(nc2c1)[*:1] O=C(CCn1ccccc1=O)Nc1ccc(cc1)[*:1]
O=C(CCn1ccccc1=O)Nc1ccc(-c2nc3ccccc3o2)cc1 O=c1ccccn1C[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1nc2ccccc2o1
O=C(CCn1ccccc1=O)Nc1ccc(-c2nc3ccccc3o2)cc1 O=c1ccccn1CC[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2o1)[*:1]
c1cc(-c2cc[n+](C34CC5CC(CC(C5)C3)C4)cc2)ccn1 c1cc(ccn1)[*:1] c1c[n+](ccc1[*:1])C12CC3CC(CC(C3)C1)C2
CCOc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NC[C@H]2CCCO2)cc1 CCO[*:1] O=C(NC[C@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1Cc1ccc(cc1)[*:1]
CCOc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NC[C@H]2CCCO2)cc1 CCOc1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)[C@@H]1c2ccccc2C(=O)N1C[*:1]
CCOc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] CCOc1ccc(cc1)CN1C(=O)c2ccccc2[C@H]1C(=O)N[*:1]
CCOc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CCOc1ccc(cc1)CN1C(=O)c2ccccc2[C@H]1C(=O)NC[*:1]
CS(=O)(=O)c1cccc(NCc2ncn(-c3ccccc3)n2)c1 CS(=O)(=O)[*:1] c1ccc(cc1)-n1cnc(CNc2cccc(c2)[*:1])n1
CS(=O)(=O)c1cccc(NCc2ncn(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] CS(=O)(=O)c1cccc(c1)NCc1ncn(n1)[*:1]
Cc1nn(CCCC(=O)NCc2ccccc2)c(=O)c2cc3occc3n12 c1ccc(cc1)C[*:1] Cc1nn(CCCC(=O)N[*:1])c(=O)c2cc3occc3n12
Cc1nn(CCCC(=O)NCc2ccccc2)c(=O)c2cc3occc3n12 c1ccc(cc1)[*:1] Cc1nn(CCCC(=O)NC[*:1])c(=O)c2cc3occc3n12
O=C(NCCO)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 OCC[*:1] O=C(N[*:1])c1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCCCC1
O=C(NCCO)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(NCCO)c1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1
O=C(NCCO)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 O=C(NCCO)[*:1] O=S(=O)(c1ccc(c(c1)[*:1])N1CCCCC1)N1CCCCC1
O=C(NCCO)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] O=C(NCCO)c1cc(ccc1N1CCCCC1)[*:1]
CCOc1ccc(-n2ccn(CC(=O)Nc3ccccc3OC)c(=O)c2=O)cc1 CCO[*:1] COc1ccccc1NC(=O)Cn1ccn(-c2ccc(cc2)[*:1])c(=O)c1=O
CCOc1ccc(-n2ccn(CC(=O)Nc3ccccc3OC)c(=O)c2=O)cc1 CCOc1ccc(cc1)[*:1] COc1ccccc1NC(=O)Cn1ccn(c(=O)c1=O)[*:1]
CCOc1ccc(-n2ccn(CC(=O)Nc3ccccc3OC)c(=O)c2=O)cc1 COc1ccccc1[*:1] CCOc1ccc(cc1)-n1ccn(CC(=O)N[*:1])c(=O)c1=O
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1 COc1ccc(cc1)[*:1] CN1CCOc2ccc(cc2C1=O)NS(=O)(=O)[*:1]
CC(=O)Nc1cc(C(=O)N2CCc3ccccc3C2)ccc1Sc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] CC(=O)Nc1cc(ccc1[*:1])C(=O)N1CCc2ccccc2C1
CC(=O)Nc1cc(C(=O)N2CCc3ccccc3C2)ccc1Sc1ccc(Cl)cc1 CC(=O)N[*:1] O=C(c1ccc(Sc2ccc(Cl)cc2)c(c1)[*:1])N1CCc2ccccc2C1
CC(=O)Nc1cc(C(=O)N2CCc3ccccc3C2)ccc1Sc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1S[*:1])C(=O)N1CCc2ccccc2C1
CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 Fc1ccccc1[*:1] CC[C@@H](O[*:1])C(=O)N1CCC(CC1)c1noc(n1)-c1cnc(C)cn1
CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 Fc1ccccc1O[*:1] CC[C@@H](C(=O)N1CCC(CC1)c1noc(n1)-c1cnc(C)cn1)[*:1]
CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 Cc1cnc(cn1)[*:1] CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(CC1)c1noc(n1)[*:1]
COc1ccc(-c2nonc2NC(=O)COc2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)-c1nonc1NC(=O)CO[*:1]
COc1ccc(-c2nonc2NC(=O)COc2ccc(C)c(C)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)OCC(=O)Nc1nonc1[*:1]
O=C(c1ccccc1-n1cccn1)N1CCN(Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] O=C(c1ccccc1-n1cccn1)N1CCN(CC1)[*:1]
O=C(c1ccccc1-n1cccn1)N1CCN(Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(c1ccccc1-n1cccn1)N1CCN(CC1)C[*:1]
O=C(c1ccccc1-n1cccn1)N1CCN(Cc2cccc(F)c2)CC1 c1cnn(c1)[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)Cc1cccc(F)c1
COc1ccc(Cl)cc1NCC(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(Cl)cc1NCC(=O)Nc1ccc(cc1)[*:1]
CCCNC(=O)c1csc(-c2cccs2)n1 CCC[*:1] O=C(N[*:1])c1csc(n1)-c1cccs1
CCCNC(=O)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] CCCNC(=O)c1csc(n1)[*:1]
COc1ccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)coc2c1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc2c(coc2c1)CC(=O)NCc1ccc(cc1)[*:1]
Cc1cc(=O)n2nc(N[C@@H](C)C(=O)NCc3ccc(OC(C)C)cc3)sc2n1 CC(C)O[*:1] Cc1cc(=O)n2nc(N[C@@H](C)C(=O)NCc3ccc(cc3)[*:1])sc2n1
Cc1cc(=O)n2nc(N[C@@H](C)C(=O)NCc3ccc(OC(C)C)cc3)sc2n1 CC(C)[*:1] Cc1cc(=O)n2nc(N[C@@H](C)C(=O)NCc3ccc(cc3)O[*:1])sc2n1
[NH3+]C[C@H]1CC[C@@H](C(=O)OCc2cccs2)O1 c1csc(c1)[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)OC[*:1]
C[C@@H](C1CC1)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])C[*:1] C[C@@H](C1CC1)N1CCO[C@H](C1)[*:1]
C[C@@H](C1CC1)N1CCO[C@H](CC(=O)[O-])C1 C[C@@H](C1CC1)[*:1] O=C([O-])C[C@@H]1CN(CCO1)[*:1]
C[C@@H](C1CC1)N1CCO[C@H](CC(=O)[O-])C1 C1CC1[*:1] C[C@@H](N1CCO[C@H](CC(=O)[O-])C1)[*:1]
C[C@@H](C1CC1)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])[*:1] C[C@@H](C1CC1)N1CCO[C@@H](C1)C[*:1]
C[C@@H](CNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)Oc1ccccc1F CS(=O)(=O)[*:1] C[C@@H](CNC(=O)N[C@H]1CCC[C@H](C1)[*:1])Oc1ccccc1F
C[C@@H](CNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)Oc1ccccc1F Fc1ccccc1[*:1] C[C@@H](CNC(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O)O[*:1]
C[C@@H](CNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@@H](CNC(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1nc(C)n[nH]1 NC(=O)[*:1] C[NH2+][C@]1(CCC[C@@H]1CCSc1nc(C)n[nH]1)[*:1]
C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSc1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] C[NH2+][C@]1(CCC[C@@H]1CCS[*:1])C(N)=O
O=C(CSc1nnc(COc2ccccc2)o1)c1ccccc1F Fc1ccccc1[*:1] O=C(CSc1nnc(COc2ccccc2)o1)[*:1]
O=C(CSc1nnc(COc2ccccc2)o1)c1ccccc1F c1ccc(cc1)OC[*:1] O=C(CSc1nnc(o1)[*:1])c1ccccc1F
O=C(CSc1nnc(COc2ccccc2)o1)c1ccccc1F c1ccc(cc1)O[*:1] O=C(CSc1nnc(C[*:1])o1)c1ccccc1F
O=C(CSc1nnc(COc2ccccc2)o1)c1ccccc1F c1ccc(cc1)[*:1] O=C(CSc1nnc(CO[*:1])o1)c1ccccc1F
COc1ccccc1NC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC[NH+]2CCN(C(C)=O)CC2)C1 O=C([O-])[*:1] COc1ccccc1NC(=O)N1CC[C@@H](C[*:1])[C@@H](CC[NH+]2CCN(CC2)C(C)=O)C1
COc1ccccc1NC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC[NH+]2CCN(C(C)=O)CC2)C1 O=C([O-])C[*:1] COc1ccccc1NC(=O)N1CC[C@@H]([C@@H](CC[NH+]2CCN(CC2)C(C)=O)C1)[*:1]
COc1ccccc1NC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC[NH+]2CCN(C(C)=O)CC2)C1 COc1ccccc1[*:1] CC(=O)N1CC[NH+](CC[C@H]2CN(CC[C@H]2CC(=O)[O-])C(=O)N[*:1])CC1
Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2=O)cc1C O=C([O-])[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C([O-])[C@@H]1CCCN(C1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOc1ccccc1C[NH2+][C@@H](CC)c1ccccc1 CCO[*:1] CC[C@H]([NH2+]Cc1ccccc1[*:1])c1ccccc1
CCOc1ccccc1C[NH2+][C@@H](CC)c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1C[NH2+][C@@H](CC)[*:1]
CSC[C@@H]1CCN(S(=O)(=O)c2ccc(OC(C)C)cc2)C1 CC(C)O[*:1] CSC[C@@H]1CCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
CSC[C@@H]1CCN(S(=O)(=O)c2ccc(OC(C)C)cc2)C1 CSC[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)[*:1]
CSC[C@@H]1CCN(S(=O)(=O)c2ccc(OC(C)C)cc2)C1 CC(C)[*:1] CSC[C@@H]1CCN(C1)S(=O)(=O)c1ccc(cc1)O[*:1]
CC[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1 O=S(=O)(N1CCCCC1)[*:1] CC[C@H](NC(=O)NCc1ccc(cc1)[*:1])c1ccc(Br)cc1
CC[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@H](NC(=O)NCc1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
COc1ccc2sc(OC3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nc2c1 O=C(CC[*:1])c1ccccc1 COc1ccc2sc(nc2c1)OC1CCN(CC1)C(=O)[*:1]
COc1ccc2sc(OC3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nc2c1 O=C(C[*:1])c1ccccc1 COc1ccc2sc(nc2c1)OC1CCN(CC1)C(=O)C[*:1]
COc1ccc2sc(OC3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nc2c1 c1ccc(cc1)[*:1] COc1ccc2sc(nc2c1)OC1CCN(CC1)C(=O)CCC(=O)[*:1]
COc1ccc2sc(OC3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nc2c1 O=C(c1ccccc1)[*:1] COc1ccc2sc(nc2c1)OC1CCN(CC1)C(=O)CC[*:1]
O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C(CCNc1ccc(Cl)c(c1)[*:1])c1ccc(Cl)cc1
O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCNc1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
Cn1cccc1CNC[C@@H](c1ccc(Cl)cc1)n1cccn1 Cn1cccc1C[*:1] Clc1ccc(cc1)[C@H](CN[*:1])n1cccn1
Cn1cccc1CNC[C@@H](c1ccc(Cl)cc1)n1cccn1 Clc1ccc(cc1)[*:1] Cn1cccc1CNC[C@@H](n1cccn1)[*:1]
Cn1cccc1CNC[C@@H](c1ccc(Cl)cc1)n1cccn1 c1cnn(c1)[*:1] Cn1cccc1CNC[C@@H](c1ccc(Cl)cc1)[*:1]
Cn1cccc1CNC[C@@H](c1ccc(Cl)cc1)n1cccn1 Cn1cccc1[*:1] Clc1ccc(cc1)[C@H](CNC[*:1])n1cccn1
C[C@@H](CN1C(=O)C(C)(C)S1(=O)=O)C(=O)[O-] O=C([O-])[*:1] C[C@@H](CN1C(=O)C(C)(C)S1(=O)=O)[*:1]
C[C@@H](CN1C(=O)C(C)(C)S1(=O)=O)C(=O)[O-] C[C@@H](C(=O)[O-])[*:1] CC1(C)C(=O)N(C[*:1])S1(=O)=O
C=CCn1c(SCc2cc(C)ccc2C)nnc1-c1cccnc1 c1cncc(c1)[*:1] C=CCn1c(nnc1[*:1])SCc1cc(C)ccc1C
C=CCn1c(SCc2cc(C)ccc2C)nnc1-c1cccnc1 Cc1ccc(C)c(c1)[*:1] C=CCn1c(nnc1-c1cccnc1)SC[*:1]
C=CCn1c(SCc2cc(C)ccc2C)nnc1-c1cccnc1 C=CC[*:1] Cc1ccc(C)c(c1)CSc1nnc(-c2cccnc2)n1[*:1]
CC[C@H](C)[C@H](NC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1)C(=O)OC COC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)Nc1ccc2oc(nc2c1)-c1cccnc1)[*:1]
CC[C@H](C)[C@H](NC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1)C(=O)OC c1cncc(c1)[*:1] CC[C@H](C)[C@H](NC(=O)Nc1ccc2oc(nc2c1)[*:1])C(=O)OC
CC[C@H](C)[C@H](NC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1)C(=O)OC CC[C@H](C)[*:1] COC(=O)[C@@H](NC(=O)Nc1ccc2oc(nc2c1)-c1cccnc1)[*:1]
CCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C(C)(C)C)C1 c1cncc(c1)[*:1] CCN(CC)C(=O)[C@@]1(CCN(C1)C(=O)C(C)(C)C)Cc1cccc(c1)[*:1]
CCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C(C)(C)C)C1 CC(C)(C)[*:1] CCN(CC)C(=O)[C@@]1(CCN(C1)C(=O)[*:1])Cc1cccc(c1)-c1cccnc1
CCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C(C)(C)C)C1 CCN(CC)C(=O)[*:1] CC(C)(C)C(=O)N1CC[C@@](Cc2cccc(c2)-c2cccnc2)(C1)[*:1]
CC(C)[C@H](CO)[NH2+]Cc1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CC(C)[C@H](CO)[NH2+]Cc1ccc(cc1)[*:1]
CC(C)[C@H](CO)[NH2+]Cc1ccc(-n2ccnc2)cc1 CC(C)[*:1] OC[C@H]([NH2+]Cc1ccc(cc1)-n1ccnc1)[*:1]
N#Cc1cccnc1Nc1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] N#Cc1cccnc1Nc1cccc(c1)C[*:1]
N#Cc1cccnc1Nc1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] N#Cc1cccnc1Nc1cccc(c1)[*:1]
CCCCN(C)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 CCC[*:1] CN(C[*:1])C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1
CCCCN(C)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCCN(C)C(=O)N[C@H]1CC(=O)N(C)[C@H]1[*:1]
CCCCN(C)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 CCCC[*:1] CN1C(=O)C[C@H](NC(=O)N(C)[*:1])[C@H]1c1ccc(Cl)cc1
CCC[NH2+][C@H]([C@@H](C)CC)[C@@H]1CCO[C@]2(CCSC2)C1 CC[C@H](C)[*:1] CCC[NH2+][C@H]([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCC[NH2+][C@H]([C@@H](C)CC)[C@@H]1CCO[C@]2(CCSC2)C1 CCC[*:1] CC[C@H](C)[C@@H]([NH2+][*:1])[C@@H]1CCO[C@]2(CCSC2)C1
CCOC(=O)[C@]1(NC)CCC[C@H](N2C[C@H](C)O[C@H](C)C2)C1 CCOC(=O)[*:1] CN[C@@]1(CCC[C@@H](C1)N1C[C@H](C)O[C@H](C)C1)[*:1]
O=C(N1CCS(=O)CC1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2 c1ccc(cc1)C[*:1] O=C(N1CCS(=O)CC1)[C@]1(C[C@H]2CC[C@@H]1C2)[*:1]
O=C(N1CCS(=O)CC1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2 c1ccc(cc1)[*:1] O=C(N1CCS(=O)CC1)[C@]1(C[C@H]2CC[C@@H]1C2)C[*:1]
CCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O Cn1cnc(c1)[*:1] CCN1CCN(C[C@H](Cc2ccccc2-c2ccccc2)C1=O)C(=O)[*:1]
CCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O c1ccc(cc1)[*:1] CCN1CCN(C[C@H](Cc2ccccc2[*:1])C1=O)C(=O)c1cn(C)cn1
Cc1nccn1Cc1cccc(CNC(=O)NCc2ncn(C)n2)c1 Cc1nccn1[*:1] Cn1cnc(CNC(=O)NCc2cccc(c2)C[*:1])n1
Cc1nccn1Cc1cccc(CNC(=O)NCc2ncn(C)n2)c1 Cc1nccn1C[*:1] Cn1cnc(CNC(=O)NCc2cccc(c2)[*:1])n1
Cc1nccn1Cc1cccc(CNC(=O)NCc2ncn(C)n2)c1 Cn1cnc(n1)[*:1] Cc1nccn1Cc1cccc(c1)CNC(=O)NC[*:1]
Cc1nccn1Cc1cccc(CNC(=O)NCc2ncn(C)n2)c1 Cn1cnc(C[*:1])n1 Cc1nccn1Cc1cccc(c1)CNC(=O)N[*:1]
CCCN1CCc2nc(NC(=O)c3ccccc3C)sc2C1 CCC[*:1] Cc1ccccc1C(=O)Nc1nc2CCN(Cc2s1)[*:1]
CCCN1CCc2nc(NC(=O)c3ccccc3C)sc2C1 Cc1ccccc1[*:1] CCCN1CCc2nc(NC(=O)[*:1])sc2C1
Cc1nc(C2CCN(C(=O)NCc3cnc(C)s3)CC2)no1 Cc1ncc(s1)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)NC[*:1]
Cc1nc(C2CCN(C(=O)NCc3cnc(C)s3)CC2)no1 Cc1nc(no1)[*:1] Cc1ncc(CNC(=O)N2CCC(CC2)[*:1])s1
Cc1nc(C2CCN(C(=O)NCc3cnc(C)s3)CC2)no1 Cc1ncc(C[*:1])s1 Cc1nc(no1)C1CCN(CC1)C(=O)N[*:1]
CCN(CC(C)(C)C[NH3+])C(=O)c1c(Cl)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(CC(C)(C)C[NH3+])C(=O)c1c(Cl)cccc1[*:1]
CONS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1 CONS(=O)(=O)[*:1] O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc(cc1)[*:1]
CONS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CONS(=O)(=O)c1ccc(cc1)C(=O)N[C@H]1C[C@@H]1[*:1]
Nc1cc(C(F)(F)F)ccc1-c1nc2cc(Br)ccc2[nH]1 FC(F)(F)[*:1] Nc1cc(ccc1-c1nc2cc(Br)ccc2[nH]1)[*:1]
CC(C)CC1CCN(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)CC1 c1cnc(nc1)[*:1] CC(C)CC1CCN(CC1)C(=O)NC[C@@H]1CCCN(C1)[*:1]
CC(C)CC1CCN(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)CC1 CC(C)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)N1CCC(CC1)C[*:1]
CC(C)CC1CCN(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)CC1 CC(C)C[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)N1CCC(CC1)[*:1]
COc1ccc(NC(=O)Cc2c(F)cccc2F)cc1OCC(N)=O NC(=O)[*:1] COc1ccc(cc1OC[*:1])NC(=O)Cc1c(F)cccc1F
COc1ccc(NC(=O)Cc2c(F)cccc2F)cc1OCC(N)=O NC(=O)CO[*:1] COc1ccc(cc1[*:1])NC(=O)Cc1c(F)cccc1F
COc1ccc(NC(=O)Cc2c(F)cccc2F)cc1OCC(N)=O Fc1cccc(F)c1[*:1] COc1ccc(cc1OCC(N)=O)NC(=O)C[*:1]
COc1ccc(NC(=O)Cc2c(F)cccc2F)cc1OCC(N)=O NC(=O)C[*:1] COc1ccc(cc1O[*:1])NC(=O)Cc1c(F)cccc1F
CCc1nnc2sc(NC(=O)COc3ccccc3)nn12 c1ccc(cc1)[*:1] CCc1nnc2sc(nn12)NC(=O)CO[*:1]
CCc1nnc2sc(NC(=O)COc3ccccc3)nn12 c1ccc(cc1)O[*:1] CCc1nnc2sc(nn12)NC(=O)C[*:1]
Cn1cc(S(=O)(=O)N(CCC#N)CCC#N)cc1C(=O)[O-] O=C([O-])[*:1] Cn1cc(cc1[*:1])S(=O)(=O)N(CCC#N)CCC#N
Cn1cc(S(=O)(=O)N(CCC#N)CCC#N)cc1C(=O)[O-] N#CC[*:1] Cn1cc(cc1C(=O)[O-])S(=O)(=O)N(CCC#N)C[*:1]
Cn1cc(S(=O)(=O)N(CCC#N)CCC#N)cc1C(=O)[O-] N#CCC[*:1] Cn1cc(cc1C(=O)[O-])S(=O)(=O)N(CCC#N)[*:1]
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1C Cc1ccc(cc1C)[*:1] CC(C)n1ncc2c(cc(nc21)-c1ccco1)C(=O)N1CSC[C@H]1C(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1C Cc1ccc(cc1C)NC(=O)[*:1] CC(C)n1ncc2c(cc(nc21)-c1ccco1)C(=O)N1CSC[C@H]1[*:1]
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1C CC(C)[*:1] Cc1ccc(cc1C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(nc2c1cnn2[*:1])-c1ccco1
CC[C@@](C)(NC(=O)N(C)[C@@H](C)C(C)C)C(=O)[O-] CC(C)[*:1] CC[C@@](C)(NC(=O)N(C)[C@@H](C)[*:1])C(=O)[O-]
CC[C@@](C)(NC(=O)N(C)[C@@H](C)C(C)C)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)N(C)[C@@H](C)C(C)C)[*:1]
CC[C@@](C)(NC(=O)N(C)[C@@H](C)C(C)C)C(=O)[O-] CC(C)[C@H](C)[*:1] CC[C@@](C)(NC(=O)N(C)[*:1])C(=O)[O-]
Cc1sc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)nc1-c1ccc(OC(F)F)cc1 FC(F)O[*:1] Cc1sc(nc1-c1ccc(cc1)[*:1])NC(=O)c1ccc([nH]c1=O)-c1ccccc1
Cc1sc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)nc1-c1ccc(OC(F)F)cc1 c1ccc(cc1)[*:1] Cc1sc(nc1-c1ccc(cc1)OC(F)F)NC(=O)c1ccc([nH]c1=O)[*:1]
Cc1sc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)nc1-c1ccc(OC(F)F)cc1 FC(F)[*:1] Cc1sc(nc1-c1ccc(cc1)O[*:1])NC(=O)c1ccc([nH]c1=O)-c1ccccc1
Cc1sc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)nc1-c1ccc(OC(F)F)cc1 FC(F)Oc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1ccc([nH]c1=O)-c1ccccc1
Cc1ccccc1OCCN1C(=O)N[C@@](C)(c2ccco2)C1=O c1coc(c1)[*:1] Cc1ccccc1OCCN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1ccccc1OCCN1C(=O)N[C@@](C)(c2ccco2)C1=O Cc1ccccc1[*:1] C[C@]1(NC(=O)N(CCO[*:1])C1=O)c1ccco1
C=CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2sc(C)cc2c1=O O=[N+]([O-])c1ccccc1[*:1] C=CCn1c(nc2sc(C)cc2c1=O)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2sc(C)cc2c1=O O=[N+]([O-])[*:1] C=CCn1c(nc2sc(C)cc2c1=O)SCC(=O)Nc1ccccc1[*:1]
C=CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2sc(C)cc2c1=O C=CC[*:1] Cc1cc2c(=O)n(c(nc2s1)SCC(=O)Nc1ccccc1[N+](=O)[O-])[*:1]
CCc1onc(C)c1NC(=O)NC1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)NC1(CCCC1)[*:1]
CCc1nn2c(c1-c1ccccc1)NC(=O)[C@H]2CC(=O)Nc1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)N[*:1])c1-c1ccccc1
CCc1nn2c(c1-c1ccccc1)NC(=O)[C@H]2CC(=O)Nc1ccc(C)c(C)c1 c1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)Nc2ccc(C)c(C)c2)c1[*:1]
O=C([O-])c1c(F)cccc1N1CC[C@@H]([NH+]2CCCCC2)C1 O=C([O-])[*:1] Fc1cccc(c1[*:1])N1CC[C@H](C1)[NH+]1CCCCC1
C[C@@]1(c2ccccc2)O[C@@H](O)C[C@@H]1n1nc2ccccc2n1 c1ccc(cc1)[*:1] C[C@]1(O[C@@H](O)C[C@@H]1n1nc2ccccc2n1)[*:1]
COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C)cn2)C12CCCCC2 COCC[*:1] Cc1ccc(nc1)NC(=O)[C@@H]1c2ccccc2C(=O)N(C12CCCCC2)[*:1]
COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C)cn2)C12CCCCC2 COC[*:1] Cc1ccc(nc1)NC(=O)[C@@H]1c2ccccc2C(=O)N(C[*:1])C12CCCCC2
COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C)cn2)C12CCCCC2 Cc1ccc(nc1)NC(=O)[*:1] COCCN1C(=O)c2ccccc2[C@@H](C12CCCCC2)[*:1]
COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C)cn2)C12CCCCC2 Cc1ccc(nc1)[*:1] COCCN1C(=O)c2ccccc2[C@@H](C(=O)N[*:1])C12CCCCC2
C[C@H](NC(=O)[C@@H](C)Sc1nnnn1C1CC1)c1ccc(Cl)cc1Cl C1CC1n1nnnc1[*:1] C[C@H](NC(=O)[C@@H](C)S[*:1])c1ccc(Cl)cc1Cl
C[C@H](NC(=O)[C@@H](C)Sc1nnnn1C1CC1)c1ccc(Cl)cc1Cl C1CC1[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nnnn1[*:1])c1ccc(Cl)cc1Cl
C[C@H](NC(=O)[C@@H](C)Sc1nnnn1C1CC1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nnnn1C1CC1)[*:1]
c1ccc(-c2nnc3n2N=C2c4ccccc4CC[C@H]2S3)cc1 c1ccc(cc1)[*:1] c1ccc2C3=Nn4c(nnc4[*:1])S[C@@H]3CCc2c1
CC[NH2+][C@H](c1cccc(OCC)c1)[C@@H]1CCCO1 CCO[*:1] CC[NH2+][C@H](c1cccc(c1)[*:1])[C@@H]1CCCO1
CC[NH2+][C@H](c1cccc(OCC)c1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[NH2+][C@H](c1cccc(c1)OCC)[*:1]
CC(C)/C(C=O)=C\c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CC(C)/C(C=O)=C\c1ccc(cc1)[*:1]
CC(C)/C(C=O)=C\c1ccc(-n2cccn2)cc1 CC(C)[*:1] O=C/C(=C/c1ccc(cc1)-n1cccn1)[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2F)oc1NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=S(=O)(c1ccc2OCCOc2c1)c1nc(oc1N[*:1])-c1ccccc1F
O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2F)oc1NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)c1nc(oc1NC[*:1])-c1ccccc1F
O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2F)oc1NCc1ccc(F)cc1 c1cc2OCCOc2cc1[*:1] O=S(=O)(c1nc(oc1NCc1ccc(F)cc1)-c1ccccc1F)[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2F)oc1NCc1ccc(F)cc1 Fc1ccccc1[*:1] O=S(=O)(c1ccc2OCCOc2c1)c1nc(oc1NCc1ccc(F)cc1)[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2F)oc1NCc1ccc(F)cc1 Fc1ccc(cc1)CN[*:1] O=S(=O)(c1ccc2OCCOc2c1)c1nc(oc1[*:1])-c1ccccc1F
CCCn1c(S(=O)(=O)[C@H](C)c2cccc(C)c2)n[nH]c1=O CCC[*:1] Cc1cccc(c1)[C@@H](C)S(=O)(=O)c1n[nH]c(=O)n1[*:1]
CCCn1c(S(=O)(=O)[C@H](C)c2cccc(C)c2)n[nH]c1=O Cc1cccc(c1)[*:1] CCCn1c(n[nH]c1=O)S(=O)(=O)[C@H](C)[*:1]
O=C(NCCCOc1ccc(F)cc1)c1scc2c1OCO2 Fc1ccc(cc1)[*:1] O=C(NCCCO[*:1])c1scc2OCOc21
CC(C)(C)C(=O)NCCNC(=O)Cc1csc(-c2ccoc2)n1 CC(C)(C)C(=O)N[*:1] O=C(Cc1csc(n1)-c1ccoc1)NCC[*:1]
CC(C)(C)C(=O)NCCNC(=O)Cc1csc(-c2ccoc2)n1 CC(C)(C)[*:1] O=C(Cc1csc(n1)-c1ccoc1)NCCNC(=O)[*:1]
CC(C)(C)C(=O)NCCNC(=O)Cc1csc(-c2ccoc2)n1 c1cc(co1)[*:1] CC(C)(C)C(=O)NCCNC(=O)Cc1csc(n1)[*:1]
CC(=O)/C=C/c1ccccc1Oc1ccc(Br)cc1F CC(=O)C=C[*:1] Fc1cc(Br)ccc1Oc1ccccc1[*:1]
CC(=O)/C=C/c1ccccc1Oc1ccc(Br)cc1F CC(=O)[*:1] Fc1cc(Br)ccc1Oc1ccccc1C=C[*:1]
CS(=O)(=O)c1ccc(O[C@@H]2CC[C@H]([NH3+])C2)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CS(=O)(=O)c1cc(ccc1O[C@@H]1CC[C@H]([NH3+])C1)[*:1]
CS(=O)(=O)c1ccc(O[C@@H]2CC[C@H]([NH3+])C2)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CS(=O)(=O)c1ccc(O[C@@H]2CC[C@H]([NH3+])C2)c(c1)[*:1]
Cc1ccccc1C(=O)NC(=S)NNC(=O)c1ccoc1C Cc1ccccc1[*:1] Cc1occc1C(=O)NNC(=S)NC(=O)[*:1]
Cc1ccccc1C(=O)NC(=S)NNC(=O)c1ccoc1C Cc1occc1[*:1] Cc1ccccc1C(=O)NC(=S)NNC(=O)[*:1]
Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)cc1C Fc1ccccc1[*:1] Cc1ccc(cc1C)NC(=O)N1CCn2cccc2[C@@H]1[*:1]
Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])N1CCn2cccc2[C@H]1c1ccccc1F
COC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1 Fc1ccc(cc1)[*:1] COC(=O)c1cccc(c1)NC(=O)CSc1ncc(o1)[*:1]
COC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1 COC(=O)[*:1] O=C(CSc1ncc(o1)-c1ccc(F)cc1)Nc1cccc(c1)[*:1]
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1F)n2CCOC COCC[*:1] CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1F)n2[*:1]
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1F)n2CCOC Fc1ccccc1[*:1] CCOc1ccc2c(c1)s/c(=N\C(=O)[*:1])n2CCOC
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1F)n2CCOC COC[*:1] CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1F)n2C[*:1]
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1F)n2CCOC CCO[*:1] COCCn1/c(=N/C(=O)c2ccccc2F)sc2cc(ccc21)[*:1]
O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCN(CC1)[*:1]
O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 Clc1ccccc1[*:1] O=C(CCNS(=O)(=O)[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=C(C[n+]1ccc(Cc2ccccc2)cc1)c1cccc2ccccc12 c1ccc(cc1)C[*:1] O=C(C[n+]1ccc(cc1)[*:1])c1cccc2ccccc12
O=C(C[n+]1ccc(Cc2ccccc2)cc1)c1cccc2ccccc12 c1ccc(cc1)[*:1] O=C(C[n+]1ccc(cc1)C[*:1])c1cccc2ccccc12
COC(=O)CCC1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 COC(=O)CC[*:1] Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(CC1)[*:1]
COC(=O)CCC1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 c1ccc(cc1)[*:1] COC(=O)CCC1CC[NH+](CC1)Cc1c(C)nn(c1C)[*:1]
COC(=O)CCC1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 COC(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(CC1)CC[*:1]
COC(=O)CCC1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 COC(=O)C[*:1] Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(CC1)C[*:1]
COc1n[nH]c(C(=O)NCc2ccncc2)c1[N+](=O)[O-] c1cc(ccn1)[*:1] COc1n[nH]c(C(=O)NC[*:1])c1[N+](=O)[O-]
COc1n[nH]c(C(=O)NCc2ccncc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1n[nH]c(C(=O)NCc2ccncc2)c1[*:1]
CC(=O)Nc1cccc(NC(=O)C(=O)N(C)CCc2cccs2)c1C c1csc(c1)CC[*:1] CC(=O)Nc1cccc(NC(=O)C(=O)N(C)[*:1])c1C
CC(=O)Nc1cccc(NC(=O)C(=O)N(C)CCc2cccs2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)N(C)CCc1cccs1
CC(=O)Nc1cccc(NC(=O)C(=O)N(C)CCc2cccs2)c1C c1csc(c1)C[*:1] CC(=O)Nc1cccc(NC(=O)C(=O)N(C)C[*:1])c1C
CC(=O)Nc1cccc(NC(=O)C(=O)N(C)CCc2cccs2)c1C c1csc(c1)[*:1] CC(=O)Nc1cccc(NC(=O)C(=O)N(C)CC[*:1])c1C
[NH3+]CCOCC(=O)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] [NH3+]CCOCC(=O)N(C[*:1])c1ccccc1
[NH3+]CCOCC(=O)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] [NH3+]CCOCC(=O)N(Cc1ccccc1)[*:1]
[NH3+]CCOCC(=O)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] [NH3+]CCOCC(=O)N(c1ccccc1)[*:1]
COc1cccc(SCC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(CS[*:1])N[C@@H]1CCO[C@H]1c1ccccc1
COc1cccc(SCC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)SCC(=O)N[C@@H]1CCO[C@@H]1[*:1]
Cc1n[nH]c2c1[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)C(C#N)=C(N)O2 Clc1ccc(cc1)[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@H](c3ccc(o3)[*:1])c12
O=C(CCc1nnc(-c2ccccc2)o1)NC[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1nnc(o1)[*:1])NC[C@H]1C[C@@H]1c1ccccc1
O=C(CCc1nnc(-c2ccccc2)o1)NC[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1nnc(o1)-c1ccccc1)NC[C@H]1C[C@H]1[*:1]
N/C(=N\O)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)cc1 N/C(=N\O)[*:1] O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(cc1)Oc1ccc(cc1)[*:1]
O=C(Nc1ccc(Cl)cc1F)c1cccc(S(=O)(=O)N2CCCC2)c1 Fc1cc(Cl)ccc1[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
O=C(Nc1ccc(Cl)cc1F)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccc(Cl)cc1F)c1cccc(c1)[*:1]
Cn1c(CCNC(=O)[C@H]2COc3ccccc3O2)nc2cc(NC(=O)c3ccco3)ccc21 c1coc(c1)[*:1] Cn1c(CCNC(=O)[C@H]2COc3ccccc3O2)nc2cc(ccc21)NC(=O)[*:1]
Cn1c(CCNC(=O)[C@H]2COc3ccccc3O2)nc2cc(NC(=O)c3ccco3)ccc21 O=C(N[*:1])c1ccco1 Cn1c(CCNC(=O)[C@H]2COc3ccccc3O2)nc2cc(ccc21)[*:1]
CC(C)(C)[C@H](C#N)NC(=O)Cc1cc(F)ccc1F CC(C)(C)[*:1] N#C[C@H](NC(=O)Cc1cc(F)ccc1F)[*:1]
COC[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 N#CCC[*:1] COC[C@H](C)[NH2+][C@H](c1ccccc1)[*:1]
COC[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 N#CC[*:1] COC[C@H](C)[NH2+][C@H](C[*:1])c1ccccc1
COC[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 COC[*:1] C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)[*:1]
Cc1ccc(OC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OC[C@H]2CCC[NH2+]C2)c(c1)[*:1]
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CO O=[N+]([O-])[*:1] Cc1cc(F)c(cc1S(=O)(=O)N[C@@H](C)CO)[*:1]
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CO C[C@@H](CO)[*:1] Cc1cc(F)c(cc1S(=O)(=O)N[*:1])[N+](=O)[O-]
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H]3c3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCC[C@@H]1[*:1]
O=S(=O)(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc2c(c1)OCCCO2 C1CN(CCO1)[*:1] O=S(=O)(Nc1ccc(cc1[*:1])N1CCOCC1)c1ccc2OCCCOc2c1
O=S(=O)(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc2c(c1)OCCCO2 C1CN(CCO1)[*:1] O=S(=O)(Nc1ccc(cc1N1CCOCC1)[*:1])c1ccc2OCCCOc2c1
O=S(=O)(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc2c(c1)OCCCO2 c1cc2OCCCOc2cc1[*:1] O=S(=O)(Nc1ccc(cc1N1CCOCC1)N1CCOCC1)[*:1]
CC(C)c1nc(CC(=O)Nc2ccc(Oc3cccnc3)nc2)cs1 CC(C)c1nc(cs1)[*:1] O=C(C[*:1])Nc1ccc(nc1)Oc1cccnc1
CC(C)c1nc(CC(=O)Nc2ccc(Oc3cccnc3)nc2)cs1 c1cncc(c1)[*:1] CC(C)c1nc(cs1)CC(=O)Nc1ccc(nc1)O[*:1]
CC(C)c1nc(CC(=O)Nc2ccc(Oc3cccnc3)nc2)cs1 c1cncc(c1)O[*:1] CC(C)c1nc(cs1)CC(=O)Nc1ccc(nc1)[*:1]
CC(C)c1nc(CC(=O)Nc2ccc(Oc3cccnc3)nc2)cs1 CC(C)[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc(nc1)Oc1cccnc1
C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N1CCc2sccc2C1 c1csc(c1)[*:1] C[C@H](Sc1nnc(NCC[*:1])s1)C(=O)N1CCc2sccc2C1
C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N1CCc2sccc2C1 c1csc(c1)C[*:1] C[C@H](Sc1nnc(NC[*:1])s1)C(=O)N1CCc2sccc2C1
C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N1CCc2sccc2C1 c1csc(c1)CCN[*:1] C[C@H](Sc1nnc(s1)[*:1])C(=O)N1CCc2sccc2C1
C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N1CCc2sccc2C1 c1csc(c1)CC[*:1] C[C@H](Sc1nnc(N[*:1])s1)C(=O)N1CCc2sccc2C1
Cc1ccc(SCC(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)cc1 Cc1ccc(cc1)SC[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(SCC(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)SCC(=O)N1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
Cc1ccc(SCC(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)cc1 Cc1ccc(cc1)S[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(SCC(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)CS[*:1]
CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)cc1 CC(C)(C)[*:1] O=C1CCC(CCC(=O)N2CCC[C@H](C2)C(=O)c2ccc(cc2)[*:1])=NN1
COc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1OC Clc1ccc(s1)[*:1] COc1ccc(cc1OC)NC(=O)N1CCN(CC1)C[*:1]
COc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1OC Clc1ccc(C[*:1])s1 COc1ccc(cc1OC)NC(=O)N1CCN(CC1)[*:1]
CCOC(=O)CSc1cc(OC)cc(F)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOC(=O)CSc1cc(cc(F)c1[*:1])OC
CCOC(=O)CSc1cc(OC)cc(F)c1[N+](=O)[O-] CCOC(=O)C[*:1] COc1cc(F)c(c(c1)S[*:1])[N+](=O)[O-]
CCOC(=O)CSc1cc(OC)cc(F)c1[N+](=O)[O-] CCOC(=O)[*:1] COc1cc(F)c(c(c1)SC[*:1])[N+](=O)[O-]
COc1ccc(CN(C)C(=O)CSC2CCCC2)cc1OC C1CCC(C1)[*:1] COc1ccc(cc1OC)CN(C)C(=O)CS[*:1]
COc1ccc(CN(C)C(=O)CSC2CCCC2)cc1OC C1CCC(C1)S[*:1] COc1ccc(cc1OC)CN(C)C(=O)C[*:1]
COc1ccc(CN(C)C(=O)CSC2CCCC2)cc1OC C1CCC(C1)SC[*:1] COc1ccc(cc1OC)CN(C)C(=O)[*:1]
C[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 O=C1CCCN1[*:1] C[C@H](CNC(=O)c1ccc(cc1)[*:1])c1ccccc1
C[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
C[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(NC[*:1])c1ccc(cc1)N1CCCC1=O
Cc1csc(NC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)NC[C@@H](C)c1nc(no1)[*:1]
Cc1csc(NC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)n1 Cc1csc(n1)[*:1] C[C@H](CNC(=O)N[*:1])c1nc(no1)-c1ccccc1
COCCNC(=O)c1nnc(-c2oc3ccc(C)cc3c2C)o1 COC[*:1] Cc1ccc2oc(-c3nnc(o3)C(=O)NC[*:1])c(C)c2c1
COCCNC(=O)c1nnc(-c2oc3ccc(C)cc3c2C)o1 COCCNC(=O)[*:1] Cc1ccc2oc(-c3nnc(o3)[*:1])c(C)c2c1
COCCNC(=O)c1nnc(-c2oc3ccc(C)cc3c2C)o1 COCC[*:1] Cc1ccc2oc(-c3nnc(o3)C(=O)N[*:1])c(C)c2c1
C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1cccc(c1)[*:1]
C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1cccc(c1)O[*:1]
CCc1ccc(O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)O[C@H](C)C(=O)Nc1ccccc1[*:1]
COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccccc1N(C)C CN(C)[*:1] COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[*:1]
Cc1nc(CNC(=O)CC[C@@H]2CCCO2)sc1C C1CO[C@@H](C1)[*:1] Cc1nc(CNC(=O)CC[*:1])sc1C
Cc1nc(CNC(=O)CC[C@@H]2CCCO2)sc1C C1CO[C@@H](C1)C[*:1] Cc1nc(CNC(=O)C[*:1])sc1C
COc1c(Cl)cccc1NC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 COc1c(Cl)cccc1[*:1] N#Cc1ccc(cc1)C[NH+]1CCCN(CC1)C(=O)N[*:1]
COc1c(Cl)cccc1NC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] COc1c(Cl)cccc1NC(=O)N1CCC[NH+](CC1)C[*:1]
COc1c(Cl)cccc1NC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)C[*:1] COc1c(Cl)cccc1NC(=O)N1CCC[NH+](CC1)[*:1]
CS(=O)(=O)CC[C@H]1Nc2ncc(Br)cc2NC1=O CS(=O)(=O)CC[*:1] O=C1Nc2cc(Br)cnc2N[C@@H]1[*:1]
CS(=O)(=O)CC[C@H]1Nc2ncc(Br)cc2NC1=O CS(=O)(=O)[*:1] O=C1Nc2cc(Br)cnc2N[C@@H]1CC[*:1]
CS(=O)(=O)CC[C@H]1Nc2ncc(Br)cc2NC1=O CS(=O)(=O)C[*:1] O=C1Nc2cc(Br)cnc2N[C@@H]1C[*:1]
COc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C[NH+]1C[C@H](C)C[C@@H](C)C1
CCO[C@H](C)c1nc(CN(C)C(=O)NC[C@H]2CC=CCC2)cs1 CCO[*:1] C[C@H](c1nc(cs1)CN(C)C(=O)NC[C@H]1CC=CCC1)[*:1]
CCO[C@H](C)c1nc(CN(C)C(=O)NC[C@H]2CC=CCC2)cs1 CCO[C@H](C)[*:1] CN(Cc1csc(n1)[*:1])C(=O)NC[C@H]1CC=CCC1
Cc1cccc(N2C[C@H](C(=O)Nc3c(C(N)=O)oc4ccccc34)CC2=O)c1C NC(=O)[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)Nc1c(oc2ccccc12)[*:1]
Cc1cccc(N2C[C@H](C(=O)Nc3c(C(N)=O)oc4ccccc34)CC2=O)c1C Cc1cccc(c1C)[*:1] NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 CCO[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)c1ncnc2c1nnn2-c1ccc(F)cc1
CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 CCOc1ccccc1[*:1] O=C(N1CCN(CC1)c1ncnc2c1nnn2-c1ccc(F)cc1)[*:1]
CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1nnnn1C Cn1nnnc1[*:1] CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CS[*:1]
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1nnnn1C Cn1nnnc1S[*:1] CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[*:1]
CC[C@@H](C)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 CC[C@@H](C)[*:1] O=C(CSc1nn(-c2ccccc2)c(=S)s1)[*:1]
CC[C@@H](C)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 c1ccc(cc1)[*:1] CC[C@@H](C)C(=O)CSc1nn(c(=S)s1)[*:1]
CC[C@@H](C)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 CC[C@@H](C)C(=O)[*:1] S=c1sc(nn1-c1ccccc1)SC[*:1]
CCN(Cc1ccccn1)C(=O)N1CCC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CCN(Cc1ccccn1)C(=O)N1CCC[C@H](C1)[*:1]
CCN(Cc1ccccn1)C(=O)N1CCC[C@H](C(=O)[O-])C1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)N1CCC[C@@H](C1)C(=O)[O-]
CCN(Cc1ccccn1)C(=O)N1CCC[C@H](C(=O)[O-])C1 c1ccc(C[*:1])nc1 CCN(C(=O)N1CCC[C@@H](C1)C(=O)[O-])[*:1]
O=C(Oc1ccc(Br)cc1)c1cc(-c2ccccc2)on1 Brc1ccc(cc1)[*:1] O=C(O[*:1])c1cc(on1)-c1ccccc1
O=C(Oc1ccc(Br)cc1)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(Oc1ccc(Br)cc1)c1cc(on1)[*:1]
O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1c1ccc(cc1)S(=O)(=O)NCC[*:1]
O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] O=C1c2ccccc2C(=O)N1c1ccc(cc1)S(=O)(=O)N[*:1]
O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C1c2ccccc2C(=O)N1c1ccc(cc1)S(=O)(=O)NC[*:1]
O=C(COc1cccc(Cl)c1)N/N=C/c1cc2ccccc2nc1Cl Clc1cccc(c1)O[*:1] O=C(C[*:1])N/N=C/c1cc2ccccc2nc1Cl
O=C(COc1cccc(Cl)c1)N/N=C/c1cc2ccccc2nc1Cl Clc1cccc(c1)[*:1] O=C(CO[*:1])N/N=C/c1cc2ccccc2nc1Cl
Cn1c(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nnc1-c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] Cn1c(nnc1[*:1])SCC(=O)N1CC[NH+](CC1)Cc1ccccc1
Cn1c(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nnc1-c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cn1c(nnc1-c1cccc(c1)[N+](=O)[O-])SCC(=O)N1CC[NH+](CC1)C[*:1]
Cn1c(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nnc1-c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cn1c(nnc1-c1cccc(c1)[*:1])SCC(=O)N1CC[NH+](CC1)Cc1ccccc1
Cn1c(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nnc1-c1cccc([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] Cn1c(nnc1-c1cccc(c1)[N+](=O)[O-])SCC(=O)N1CC[NH+](CC1)[*:1]
OCC[NH+](Cc1csc(-c2ccco2)n1)C1CCCCC1 OCC[*:1] c1coc(c1)-c1nc(cs1)C[NH+](C1CCCCC1)[*:1]
OCC[NH+](Cc1csc(-c2ccco2)n1)C1CCCCC1 C1CCC(CC1)[*:1] OCC[NH+](Cc1csc(n1)-c1ccco1)[*:1]
OCC[NH+](Cc1csc(-c2ccco2)n1)C1CCCCC1 c1coc(c1)[*:1] OCC[NH+](Cc1csc(n1)[*:1])C1CCCCC1
CCCCN1C(=O)NC(=O)/C(=C2\C[C@H](c3ccc(OC)cc3)N(c3ccccc3)N2)C1=O c1ccc(cc1)[*:1] CCCCN1C(=O)NC(=O)/C(C1=O)=C1\C[C@H](c2ccc(cc2)OC)N(N1)[*:1]
CCCCN1C(=O)NC(=O)/C(=C2\C[C@H](c3ccc(OC)cc3)N(c3ccccc3)N2)C1=O CCC[*:1] COc1ccc(cc1)[C@H]1C/C(NN1c1ccccc1)=C1\C(=O)NC(=O)N(C[*:1])C1=O
CCCCN1C(=O)NC(=O)/C(=C2\C[C@H](c3ccc(OC)cc3)N(c3ccccc3)N2)C1=O CCCC[*:1] COc1ccc(cc1)[C@H]1C/C(NN1c1ccccc1)=C1\C(=O)NC(=O)N(C1=O)[*:1]
CCCCN1C(=O)NC(=O)/C(=C2\C[C@H](c3ccc(OC)cc3)N(c3ccccc3)N2)C1=O COc1ccc(cc1)[*:1] CCCCN1C(=O)NC(=O)/C(C1=O)=C1\C[C@H](N(N1)c1ccccc1)[*:1]
CCOC(=O)C1=NN(c2cccc(OC(C)C)c2)[C@@](C)(C(=O)[O-])C1 CC(C)O[*:1] CCOC(=O)C1C[C@](C)(C(=O)[O-])N(N=1)c1cccc(c1)[*:1]
CCOC(=O)C1=NN(c2cccc(OC(C)C)c2)[C@@](C)(C(=O)[O-])C1 CC(C)[*:1] CCOC(=O)C1C[C@](C)(C(=O)[O-])N(N=1)c1cccc(c1)O[*:1]
CCOC(=O)C1=NN(c2cccc(OC(C)C)c2)[C@@](C)(C(=O)[O-])C1 O=C([O-])[*:1] CCOC(=O)C1C[C@](C)(N(N=1)c1cccc(c1)OC(C)C)[*:1]
O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1cccnc1 c1cncc(c1)[*:1] O=C(NNC(=O)[*:1])[C@@H]1CC(=O)N(C1)c1cccc2ccccc12
O=c1cc(C[NH2+]C2COC2)nc2ccccn12 C1OCC1[*:1] O=c1cc(C[NH2+][*:1])nc2ccccn12
COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C)cc(OC)c1OC(F)F FC(F)[*:1] COc1cc(cc(OC)c1O[*:1])C(=O)N1CCC[C@H](C)[C@@H]1C
COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C)cc(OC)c1OC(F)F FC(F)O[*:1] COc1cc(cc(OC)c1[*:1])C(=O)N1CCC[C@H](C)[C@@H]1C
Cc1ccc2c(c1)CCCN2C(=O)C[NH+](C)Cc1cc(C2CC2)[nH]n1 C1CC1[*:1] Cc1ccc2c(c1)CCCN2C(=O)C[NH+](C)Cc1cc([nH]n1)[*:1]
Cc1ccc2c(c1)CCCN2C(=O)C[NH+](C)Cc1cc(C2CC2)[nH]n1 c1c(n[nH]c1C1CC1)[*:1] Cc1ccc2c(c1)CCCN2C(=O)C[NH+](C)C[*:1]
C/C(=N\NC(=O)c1ccccc1-n1cccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=NNC(=O)c1ccccc1-n1cccc1)[*:1]
C/C(=N\NC(=O)c1ccccc1-n1cccc1)c1ccc(F)cc1 c1ccn(c1)[*:1] C/C(=N\NC(=O)c1ccccc1[*:1])c1ccc(F)cc1
Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)s1 Clc1ccc(s1)[*:1] Cc1ccc(NC(=O)N[C@@H](C)[*:1])s1
Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)s1 Cc1ccc(s1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(Cl)s1
CC(C)(C)c1cc(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)no1 CC(C)(C)c1cc(no1)[*:1] O=C(N[*:1])N1CCC[C@H]1c1cccc2OCCOc21
CC(C)(C)c1cc(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)no1 CC(C)(C)[*:1] O=C(Nc1cc(on1)[*:1])N1CCC[C@H]1c1cccc2OCCOc21
Cc1cc(CNC(=O)COC[C@H]2CCCO2)c2[nH]c(-c3ccccc3)c(C)c2c1 c1ccc(cc1)[*:1] Cc1cc(CNC(=O)COC[C@H]2CCCO2)c2[nH]c(c(C)c2c1)[*:1]
NC(=O)c1cc(-c2csc(NC(=O)c3cc4cc(F)ccc4[nH]3)n2)c[nH]1 NC(=O)[*:1] O=C(Nc1nc(cs1)-c1c[nH]c(c1)[*:1])c1cc2cc(F)ccc2[nH]1
NC(=O)c1cc(-c2csc(NC(=O)c3cc4cc(F)ccc4[nH]3)n2)c[nH]1 NC(=O)c1cc(c[nH]1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cc2cc(F)ccc2[nH]1
CC[NH2+][C@@H](c1ccc(C)c(F)c1)c1cscc1Br Brc1cscc1[*:1] CC[NH2+][C@@H](c1ccc(C)c(F)c1)[*:1]
CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC(F)F)c(OC)c3)c2C(=O)OC)C1 FC(F)O[*:1] CC[C@@H]1CCc2c(C1)sc(NC(=O)c1ccc(c(c1)OC)[*:1])c2C(=O)OC
CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC(F)F)c(OC)c3)c2C(=O)OC)C1 FC(F)[*:1] CC[C@@H]1CCc2c(C1)sc(NC(=O)c1ccc(O[*:1])c(c1)OC)c2C(=O)OC
CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC(F)F)c(OC)c3)c2C(=O)OC)C1 COC(=O)[*:1] CC[C@@H]1CCc2c(C1)sc(NC(=O)c1ccc(OC(F)F)c(c1)OC)c2[*:1]
CN(C[C@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 O=C1CCCN1C[*:1] CN(C[C@H]1CCCN1C(=O)c1ccc(cc1)[*:1])c1ccccc1
CN(C[C@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C[C@H]1CCCN1C(=O)c1ccc(cc1)CN1CCCC1=O)[*:1]
CN(C[C@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 CN(C[*:1])c1ccccc1 O=C1CCCN1Cc1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
CN(C[C@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 O=C1CCCN1[*:1] CN(C[C@H]1CCCN1C(=O)c1ccc(cc1)C[*:1])c1ccccc1
CN(C[C@H]1CCCN1C(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 CN(c1ccccc1)[*:1] O=C1CCCN1Cc1ccc(cc1)C(=O)N1CCC[C@@H]1C[*:1]
CC1(CNC(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)CCCC1 O=C([O-])[*:1] CC1(CCCC1)CNC(=O)N[C@H]1C=C[C@H](C1)[*:1]
CC1(CNC(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)CCCC1 CC1(CCCC1)[*:1] O=C(NC[*:1])N[C@H]1C=C[C@@H](C1)C(=O)[O-]
COc1ccc(S(C)(=O)=O)cc1C CS(=O)(=O)[*:1] COc1ccc(cc1C)[*:1]
COC(=O)CCSCC(=O)Nc1cc(C)on1 COC(=O)[*:1] Cc1cc(no1)NC(=O)CSCC[*:1]
COC(=O)CCSCC(=O)Nc1cc(C)on1 COC(=O)C[*:1] Cc1cc(no1)NC(=O)CSC[*:1]
C[C@@H](C(=O)NCCCS(C)(=O)=O)c1ccc2ccccc2c1 CS(=O)(=O)[*:1] C[C@@H](C(=O)NCCC[*:1])c1ccc2ccccc2c1
C[C@@H](C(=O)NCCCS(C)(=O)=O)c1ccc2ccccc2c1 CS(=O)(=O)CCC[*:1] C[C@@H](C(=O)N[*:1])c1ccc2ccccc2c1
C[C@@H](C(=O)NCCCS(C)(=O)=O)c1ccc2ccccc2c1 CS(=O)(=O)C[*:1] C[C@@H](C(=O)NCC[*:1])c1ccc2ccccc2c1
C[C@@H](C(=O)NCCCS(C)(=O)=O)c1ccc2ccccc2c1 CS(=O)(=O)CC[*:1] C[C@@H](C(=O)NC[*:1])c1ccc2ccccc2c1
COc1ccc(C(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)N(c1ccc(C)cc1)[*:1]
COc1ccc(C(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N(Cc1ccccc1)[*:1]
COc1ccc(C(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N(C[*:1])c1ccc(C)cc1
COc1ccc(C(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)N(Cc1ccccc1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)[C@@H]1CCCN1S(=O)(=O)[*:1]
c1ccc(-c2nnc(Nc3cnn(-c4nccs4)c3)s2)cc1 c1csc(n1)[*:1] c1ccc(cc1)-c1nnc(Nc2cnn(c2)[*:1])s1
c1ccc(-c2nnc(Nc3cnn(-c4nccs4)c3)s2)cc1 c1ccc(cc1)[*:1] c1csc(n1)-n1cc(cn1)Nc1nnc(s1)[*:1]
CCCCOCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 CCCCOCC[*:1] O=C(C1CC[NH+](CC1)[*:1])N1CCCCC1
CCCCOCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 CCCCOC[*:1] O=C(C1CC[NH+](CC1)C[*:1])N1CCCCC1
CCCCOCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 CCCC[*:1] O=C(C1CC[NH+](CCO[*:1])CC1)N1CCCCC1
CCCCOCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 CCCCO[*:1] O=C(C1CC[NH+](CC1)CC[*:1])N1CCCCC1
CCCCOCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 CCC[*:1] O=C(C1CC[NH+](CCOC[*:1])CC1)N1CCCCC1
CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccccc1Cl CC(C)(C)[*:1] O=C(CNC(=O)c1ccccc1Cl)N[C@@H]1CCCC[C@H]1[*:1]
CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)[*:1]
CCOc1ccc(N2C[C@H](NC(=O)NCCC3=c4ccccc4=[NH+]C3)CC2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)N[C@@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(N2C[C@H](NC(=O)NCCC3=c4ccccc4=[NH+]C3)CC2=O)cc1 CCO[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)N[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
NC(=O)CCC(=O)N1CCc2sccc2C1 NC(=O)[*:1] O=C(CC[*:1])N1CCc2sccc2C1
NC(=O)CCC(=O)N1CCc2sccc2C1 NC(=O)C[*:1] O=C(C[*:1])N1CCc2sccc2C1
NC(=O)CCC(=O)N1CCc2sccc2C1 NC(=O)CC[*:1] O=C(N1CCc2sccc2C1)[*:1]
C[C@H](OC(=O)/C=C/c1ccccc1)c1cccc(C#N)c1 c1ccc(cc1)[*:1] C[C@H](OC(=O)C=C[*:1])c1cccc(C#N)c1
C#CCNC(=O)CCN1C(=O)COc2ccccc21 C#CCNC(=O)[*:1] O=C1COc2ccccc2N1CC[*:1]
C#CCNC(=O)CCN1C(=O)COc2ccccc21 C#CC[*:1] O=C(CCN1C(=O)COc2ccccc21)N[*:1]
COc1cccc([C@@H](CNc2ncnc3c2cnn3C)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] Cn1ncc2c(ncnc21)NC[C@@H]([NH+]1CCCC1)[*:1]
C[C@@H](CC(=O)[O-])NC(=O)N[C@H]1CCOC1 O=C([O-])[*:1] C[C@@H](C[*:1])NC(=O)N[C@H]1CCOC1
C[C@@H](CC(=O)[O-])NC(=O)N[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@@H](CC(=O)[O-])NC(=O)N[*:1]
C[C@@H](CC(=O)[O-])NC(=O)N[C@H]1CCOC1 O=C([O-])C[*:1] C[C@@H](NC(=O)N[C@H]1CCOC1)[*:1]
C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 FC(F)(F)c1ccc(nc1)[*:1] C[C@@H](OC(=O)C1CCN(CC1)[*:1])C(=O)N(C)[C@H]1CCS(=O)(=O)C1
C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] C[C@@H](OC(=O)C1CCN(CC1)c1ccc(cn1)[*:1])C(=O)N(C)[C@H]1CCS(=O)(=O)C1
C[C@H](C=O)c1cccc(Oc2ccccc2)c1 C[C@H](C=O)[*:1] c1ccc(cc1)Oc1cccc(c1)[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)C[C@@H](C)NC(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)C[C@@H](C)NC(=O)[*:1]
Cc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O Cc1ccccc1[*:1] C[C@H](NC(=O)c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O C1CO[C@H](C1)[*:1] Cc1ccccc1[C@H](C)NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
Cc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O C1CO[C@H](C1)C[*:1] Cc1ccccc1[C@H](C)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O Cc1ccccc1[C@H](C)[*:1] O=C(N[*:1])c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NC(=S)Nc1ccc(cc1Cl)[N+](=O)[O-])[*:1]
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccc(cc1Cl)[*:1])c1ccccc1Cl
C[C@@H]1N=N[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)[C@@H](c3ccccc3Cl)[C@H]12 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H]1N=N[C@H]2C(=O)N(CC[*:1])[C@@H](c3ccccc3Cl)[C@H]12
C[C@@H]1N=N[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)[C@@H](c3ccccc3Cl)[C@H]12 Clc1ccccc1[*:1] C[C@@H]1N=N[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]([C@H]12)[*:1]
Cc1ccc([C@@H](C)NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)o1 Cc1ccc(o1)[C@@H](C)[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)C(F)F)N[*:1]
Cc1ccc([C@@H](C)NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)o1 O=S(=O)(C(F)F)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)Cc1ccc(cc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)Cc1ccc(cc1)S(=O)(=O)C(F)F)[*:1]
Cc1ccc([C@@H](C)NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)o1 FC(F)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)Cc1ccc(cc1)S(=O)(=O)[*:1]
CC[NH+](CC)C[C@H]1CCN(Cc2cc(C)on2)C1 Cc1cc(no1)[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C[*:1]
O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(C(=O)CCc1cccnc1)CC2 c1cncc(c1)[*:1] O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(CC2)C(=O)CC[*:1]
O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(C(=O)CCc1cccnc1)CC2 c1cncc(c1)C[*:1] O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(CC2)C(=O)C[*:1]
O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(C(=O)CCc1cccnc1)CC2 c1cncc(c1)CC[*:1] O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(CC2)C(=O)[*:1]
COc1c(CNc2cnn(-c3ncccn3)c2)c(C)nn1C c1cnc(nc1)[*:1] COc1c(CNc2cnn(c2)[*:1])c(C)nn1C
O=C(c1cccs1)N(Cc1ccccn1)c1nc2ccc(Br)cc2s1 c1ccc(nc1)[*:1] O=C(c1cccs1)N(C[*:1])c1nc2ccc(Br)cc2s1
O=C(c1cccs1)N(Cc1ccccn1)c1nc2ccc(Br)cc2s1 c1ccc(C[*:1])nc1 O=C(c1cccs1)N(c1nc2ccc(Br)cc2s1)[*:1]
O=C(c1cccs1)N(Cc1ccccn1)c1nc2ccc(Br)cc2s1 c1csc(c1)[*:1] O=C(N(Cc1ccccn1)c1nc2ccc(Br)cc2s1)[*:1]
CCOCc1ccccc1CNC(=O)NC1CC1 CCOC[*:1] O=C(NCc1ccccc1[*:1])NC1CC1
CCOCc1ccccc1CNC(=O)NC1CC1 CCO[*:1] O=C(NCc1ccccc1C[*:1])NC1CC1
CCOCc1ccccc1CNC(=O)NC1CC1 C1CC1[*:1] CCOCc1ccccc1CNC(=O)N[*:1]
O=C(NC1=NCCS1)c1ccccc1OCc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(NC1=NCCS1)c1ccccc1OC[*:1]
C[C@H]1Oc2ccc(NC(=O)c3cccnc3SCc3ccc(F)cc3)cc2NC1=O Fc1ccc(cc1)C[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)c1cccnc1S[*:1]
C[C@H]1Oc2ccc(NC(=O)c3cccnc3SCc3ccc(F)cc3)cc2NC1=O Fc1ccc(cc1)CS[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)c1cccnc1[*:1]
C[C@H]1Oc2ccc(NC(=O)c3cccnc3SCc3ccc(F)cc3)cc2NC1=O Fc1ccc(cc1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)c1cccnc1SC[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)CCCS(C)(=O)=O CC[S@](=O)[*:1] CS(=O)(=O)CCCC(=O)N[C@H]1CCCC[C@@H]1[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)CCCS(C)(=O)=O CS(=O)(=O)CC[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)C[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)CCCS(C)(=O)=O CS(=O)(=O)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)CCC[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)CCCS(C)(=O)=O CS(=O)(=O)C[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)CC[*:1]
Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1cccc2ccccc12)C(F)(F)F FC(F)(F)[*:1] Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1cccc2ccccc12)[*:1]
Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1cccc2ccccc12)C(F)(F)F Cc1nn(C)c(C)c1[*:1] O=C(Nc1cccc2ccccc12)N[C@H](C(F)(F)F)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)N[C@@H]2CCc3c(F)cccc32)c1 CN(C)C(=O)[*:1] O=C(Nc1cc(ccc1F)[*:1])N[C@@H]1CCc2c(F)cccc21
Cc1nc(C)c(CC(=O)N2CCC(c3ccc(O)cc3)CC2)c(=O)[nH]1 Oc1ccc(cc1)[*:1] Cc1nc(C)c(CC(=O)N2CCC(CC2)[*:1])c(=O)[nH]1
COC(=O)c1sccc1S(=O)(=O)N(C)C1CCC([NH3+])CC1 COC(=O)[*:1] CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccsc1[*:1]
Cc1ccccc1-n1cnnc1SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] Cc1ccccc1-n1cnnc1SCC(=O)N1CCC[C@H]1[*:1]
Cc1ccccc1-n1cnnc1SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 Cc1ccccc1[*:1] O=C(CSc1nncn1[*:1])N1CCC[C@@H]1c1ccc2OCCOc2c1
O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 Oc1ccc(cc1Cl)[*:1] O=C(C=C[*:1])c1ccc(cc1)N1CCCC1=O
O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(cc1)[*:1]
CCCn1c(Cc2csc(C[NH2+]C)c2)nc2ccccc21 CCC[*:1] C[NH2+]Cc1cc(cs1)Cc1nc2ccccc2n1[*:1]
O=C(c1ccc(NCc2cc(=O)n3cc(Cl)ccc3n2)cc1Cl)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=c1cc(CNc2ccc(c(Cl)c2)[*:1])nc2ccc(Cl)cn12
N#Cc1ncn(-c2ccc([N+](=O)[O-])c3cnccc23)n1 O=[N+]([O-])[*:1] N#Cc1ncn(n1)-c1ccc(c2cnccc12)[*:1]
C[C@H]1C[NH2+]C[C@@H](c2ccc(C(C)(C)C)cc2)O1 CC(C)(C)[*:1] C[C@H]1C[NH2+]C[C@H](O1)c1ccc(cc1)[*:1]
N#Cc1ccc(OC2CCC(NC(=O)c3cc(C#N)cs3)CC2)nc1 N#Cc1ccc(nc1)[*:1] N#Cc1csc(c1)C(=O)NC1CCC(CC1)O[*:1]
N#Cc1ccc(OC2CCC(NC(=O)c3cc(C#N)cs3)CC2)nc1 N#Cc1csc(c1)[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)[*:1]
COC(=O)c1ccccc1C(=O)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 c1ccc(C[*:1])nc1 COC(=O)c1ccccc1C(=O)N(c1nc2c(Cl)cccc2s1)[*:1]
COC(=O)c1ccccc1C(=O)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 COC(=O)[*:1] O=C(c1ccccc1[*:1])N(Cc1ccccn1)c1nc2c(Cl)cccc2s1
COC(=O)c1ccccc1C(=O)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 Clc1cccc2sc(nc12)[*:1] COC(=O)c1ccccc1C(=O)N(Cc1ccccn1)[*:1]
COC(=O)c1ccccc1C(=O)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 COC(=O)c1ccccc1[*:1] O=C(N(Cc1ccccn1)c1nc2c(Cl)cccc2s1)[*:1]
COC(=O)c1ccccc1C(=O)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 c1ccc(nc1)[*:1] COC(=O)c1ccccc1C(=O)N(C[*:1])c1nc2c(Cl)cccc2s1
Cc1cc(=O)oc2ccc(OC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc12 O=[N+]([O-])[*:1] Cc1cc(=O)oc2ccc(cc12)OC(=O)CN1C(=O)c2cccc(c2C1=O)[*:1]
CN(C)C(=O)c1cccc(NC(=O)NCc2cccnc2)c1 c1cncc(c1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)NC[*:1]
CN(C)C(=O)c1cccc(NC(=O)NCc2cccnc2)c1 CN(C)C(=O)[*:1] O=C(NCc1cccnc1)Nc1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(NC(=O)NCc2cccnc2)c1 c1cncc(c1)C[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)N[*:1]
COc1ccc([C@@H](C)N(C)C(=O)CCCc2cc(F)ccc2F)cc1 Fc1ccc(F)c(c1)[*:1] COc1ccc(cc1)[C@@H](C)N(C)C(=O)CCC[*:1]
COc1ccc([C@@H](C)N(C)C(=O)CCCc2cc(F)ccc2F)cc1 COc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)CCCc1cc(F)ccc1F)[*:1]
CC1CCN(C(=O)c2ccccc2NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 CC1CCN(CC1)C(=O)[*:1] C[C@@H](Oc1ccc(cc1)C(C)(C)C)C(=O)Nc1ccccc1[*:1]
CC1CCN(C(=O)c2ccccc2NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=O)[C@@H](C)O[*:1]
CC1CCN(C(=O)c2ccccc2NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(cc1)[*:1]
Cc1cnc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)s1 Cc1cnc(s1)[*:1] O=C(/C=C/c1cnn(c1)-c1ccccc1)N[*:1]
Cc1cnc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)s1 c1ccc(cc1)[*:1] Cc1cnc(NC(=O)/C=C/c2cnn(c2)[*:1])s1
C[C@H](CC#N)N1CCc2c(F)ccc(F)c2C1 C[C@H](CC#N)[*:1] Fc1ccc(F)c2CN(CCc12)[*:1]
C[C@H](CC#N)N1CCc2c(F)ccc(F)c2C1 N#CC[*:1] C[C@H](N1CCc2c(F)ccc(F)c2C1)[*:1]
Cc1csc(NC(=O)C2CCN(c3ncccn3)CC2)n1 Cc1csc(n1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ncccn1
Cc1csc(NC(=O)C2CCN(c3ncccn3)CC2)n1 c1cnc(nc1)[*:1] Cc1csc(n1)NC(=O)C1CCN(CC1)[*:1]
Cc1ccccc1/N=C1\NC[C@H](c2ccc([N+](=O)[O-])cc2)S1 Cc1ccccc1[*:1] O=[N+]([O-])c1ccc(cc1)[C@H]1CNC(=N[*:1])S1
Cc1ccccc1/N=C1\NC[C@H](c2ccc([N+](=O)[O-])cc2)S1 O=[N+]([O-])[*:1] Cc1ccccc1/N=C1\NC[C@@H](S1)c1ccc(cc1)[*:1]
CC(C)(c1ccccc1)c1nnc(NC(=O)N[C@H]2CCCC[C@H]2CO)s1 c1ccc(cc1)[*:1] CC(C)(c1nnc(NC(=O)N[C@H]2CCCC[C@H]2CO)s1)[*:1]
CC[C@@H](C)NC(=O)c1cnn(-c2ccc(F)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CC[C@@H](C)NC(=O)c1cnn(-c2ccc(F)cc2)c1C1CCN(CC1)C(=O)O[*:1]
CC[C@@H](C)NC(=O)c1cnn(-c2ccc(F)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 Fc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)c1cnn(c1C1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
O=[N+]([O-])c1ccc2nc(NCc3ccc(Cl)s3)oc2c1 O=[N+]([O-])[*:1] Clc1ccc(CNc2nc3ccc(cc3o2)[*:1])s1
O=[N+]([O-])c1ccc2nc(NCc3ccc(Cl)s3)oc2c1 Clc1ccc(s1)[*:1] O=[N+]([O-])c1ccc2nc(NC[*:1])oc2c1
CCc1onc(C)c1NC(=O)N[C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 CCc1onc(C)c1[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@H](C)NC(=O)N[*:1]
CCc1onc(C)c1NC(=O)N[C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 Cc1cnn(c1)[*:1] CCc1onc(C)c1NC(=O)N[C@@H](C)c1ccc(c(F)c1)[*:1]
COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c(OC)c1OC c1cc(ccn1)[*:1] COc1ccc(CN2CCC[C@H](C2)c2cc(=O)[nH]c(n2)[*:1])c(OC)c1OC
Cc1cc(NC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n(C)n1 Cc1cc(n(C)n1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)CN1CCN(CC1)C(=O)N[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c2)no1 c1coc(c1)[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c2)no1 Cc1nc(no1)[*:1] O=C(c1ccco1)N1CCN(CC1)S(=O)(=O)c1cc(cs1)[*:1]
Cc1cc(C(=O)O[C@@H](C)c2nccs2)nc2c1c(=O)n(C)c(=O)n2C c1csc(n1)[*:1] Cc1cc(nc2c1c(=O)n(C)c(=O)n2C)C(=O)O[C@@H](C)[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1nn(-c2ccccc2)c(=O)c2ccccc12
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1nn(c(=O)c2ccccc12)[*:1]
CCC[C@H](C[NH3+])[C@@H](O)c1cc(Cl)c2c(c1)OCCCO2 CCC[*:1] [NH3+]C[C@H]([C@@H](O)c1cc(Cl)c2OCCCOc2c1)[*:1]
CN(CCNC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 CN(c1ccccc1)[*:1] O=C(NCC[*:1])N1CCC(CC1)C(=O)N1CCCC1
CN(CCNC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCNC(=O)N1CCC(CC1)C(=O)N1CCCC1)[*:1]
CN(CCNC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 O=C(N1CCCC1)[*:1] CN(CCNC(=O)N1CCC(CC1)[*:1])c1ccccc1
O=C(Nc1ccnn1C1CCCC1)c1ccc2c(=O)n3c(nc2c1)CCC3 C1CCC(C1)[*:1] O=C(Nc1ccnn1[*:1])c1ccc2c(=O)n3CCCc3nc2c1
COC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)sc2c1CC[C@H](C)C2 COC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1sc2C[C@@H](C)CCc2c1[*:1]
COC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)sc2c1CC[C@H](C)C2 Cc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)[*:1])sc2C[C@@H](C)CCc21
CCCCn1nc(C(=O)N2CCN(c3ncccn3)CC2)ccc1=O CCCC[*:1] O=C(c1ccc(=O)n(n1)[*:1])N1CCN(CC1)c1ncccn1
CCCCn1nc(C(=O)N2CCN(c3ncccn3)CC2)ccc1=O c1cnc(nc1)[*:1] CCCCn1nc(ccc1=O)C(=O)N1CCN(CC1)[*:1]
CCCCn1nc(C(=O)N2CCN(c3ncccn3)CC2)ccc1=O CCC[*:1] O=C(c1ccc(=O)n(C[*:1])n1)N1CCN(CC1)c1ncccn1
Cc1ccccc1[C@H](C)CC(=O)N[C@H]1CCCn2c(C)nnc21 Cc1ccccc1[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)C[C@@H](C)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)NCc1nncn1CC CC[C@H](C)C[*:1] CCn1cnnc1CNC(=O)N[C@@H](C)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)NCc1nncn1CC CC[C@H](C)[*:1] CCn1cnnc1CNC(=O)N[C@@H](C)C[*:1]
O=C1Nc2ccccc2[C@@H]1CCC(=O)N1CCN(c2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] O=C1Nc2ccccc2[C@@H]1CCC(=O)N1CCN(CC1)[*:1]
COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC C[C@H]1C[C@H]1[*:1] COc1cc(NC(=O)[*:1])c(cc1OC)C(=O)N1[C@@H](C)CCC[C@H]1C
COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC C[C@H]1C[C@H]1C(=O)N[*:1] COc1cc(C(=O)N2[C@@H](C)CCC[C@H]2C)c(cc1OC)[*:1]
c1ccc2c(c1)O[C@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 c1cc(cs1)[*:1] c1ccc2c(c1)O[C@H](N1N=C(C[C@@H]21)c1ccc2OCOc2c1)[*:1]
c1ccc2c(c1)O[C@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 c1cc2OCOc2cc1[*:1] c1ccc2c(c1)O[C@H](c1ccsc1)N1N=C(C[C@@H]21)[*:1]
CCOc1ccc(NC(=O)C(=O)N(C)Cc2cccc(Cl)c2)cc1F CCO[*:1] CN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
CCOc1ccc(NC(=O)C(=O)N(C)Cc2cccc(Cl)c2)cc1F Clc1cccc(c1)[*:1] CCOc1ccc(cc1F)NC(=O)C(=O)N(C)C[*:1]
CCOc1ccc(NC(=O)C(=O)N(C)Cc2cccc(Cl)c2)cc1F Clc1cccc(c1)C[*:1] CCOc1ccc(cc1F)NC(=O)C(=O)N(C)[*:1]
Cc1cc2ncn(C(=O)CCCOc3ccccc3)c2cc1C c1ccc(cc1)O[*:1] Cc1cc2ncn(C(=O)CCC[*:1])c2cc1C
Cc1cc2ncn(C(=O)CCCOc3ccccc3)c2cc1C c1ccc(cc1)[*:1] Cc1cc2ncn(C(=O)CCCO[*:1])c2cc1C
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccncc3)sc2c1 COc1ccc(cc1)[*:1] CCOc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccncc1
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccncc3)sc2c1 COc1ccc(cc1)C(=O)[*:1] CCOc1ccc2nc(sc2c1)N1C(=O)C([O-])=C([C@@H]1c1ccncc1)[*:1]
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccncc3)sc2c1 c1cc(ccn1)[*:1] CCOc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2)OC)[C@H]1[*:1]
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccncc3)sc2c1 CCO[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2nc3ccc(cc3s2)[*:1])[C@H]1c1ccncc1
O=C(c1cc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] O=C(c1cc2ccccc2s1)N1CCN(CC1)S(=O)(=O)[*:1]
O=c1c2ccccc2oc2nc(-c3ccc(F)cc3)n(Cc3ccco3)c(=O)c12 c1coc(c1)[*:1] O=c1c2ccccc2oc2nc(-c3ccc(F)cc3)n(C[*:1])c(=O)c12
O=c1c2ccccc2oc2nc(-c3ccc(F)cc3)n(Cc3ccco3)c(=O)c12 c1coc(c1)C[*:1] O=c1c2ccccc2oc2nc(-c3ccc(F)cc3)n(c(=O)c12)[*:1]
O=c1c2ccccc2oc2nc(-c3ccc(F)cc3)n(Cc3ccco3)c(=O)c12 Fc1ccc(cc1)[*:1] O=c1c2ccccc2oc2nc(n(Cc3ccco3)c(=O)c12)[*:1]
CN(Cc1cccs1)C(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(Cc1cccs1)C(=O)C[NH+](C)CC(=O)N[*:1]
CN(Cc1cccs1)C(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)cc1 c1csc(c1)C[*:1] CN(C(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)cc1)[*:1]
CN(Cc1cccs1)C(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)cc1 c1csc(c1)[*:1] CN(C[*:1])C(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)cc1
COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)CNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CC(=O)Nc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 CC(=O)N[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCC1)Nc1cccc(c1)[*:1]
C[NH2+][C@@H](C)c1cc(F)ccc1S[C@H](C)CCO OCC[*:1] C[NH2+][C@@H](C)c1cc(F)ccc1S[C@H](C)[*:1]
C[NH2+][C@@H](C)c1cc(F)ccc1S[C@H](C)CCO C[C@H](CCO)[*:1] C[NH2+][C@@H](C)c1cc(F)ccc1S[*:1]
O[C@H](c1ccoc1)[C@@H]1CCOC2(CCCCC2)C1 c1cc(co1)[*:1] O[C@H]([C@@H]1CCOC2(CCCCC2)C1)[*:1]
CCOCc1ccc(C(=O)Nc2nnc(CC)s2)o1 CCOC[*:1] CCc1nnc(NC(=O)c2ccc(o2)[*:1])s1
CCOCc1ccc(C(=O)Nc2nnc(CC)s2)o1 CCO[*:1] CCc1nnc(NC(=O)c2ccc(C[*:1])o2)s1
Cc1nnnn1-c1cccc(C(=O)N2CCC3=C(C2)[C@H](C(C)C)N=N3)c1 Cc1nnnn1[*:1] CC(C)[C@@H]1N=NC2CCN(CC=21)C(=O)c1cccc(c1)[*:1]
Cc1nnnn1-c1cccc(C(=O)N2CCC3=C(C2)[C@H](C(C)C)N=N3)c1 CC(C)[*:1] Cc1nnnn1-c1cccc(c1)C(=O)N1CCC2N=N[C@@H](C=2C1)[*:1]
CC(C)CCc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)N3)cc1 CC(C)C[*:1] O=C1NC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)C[*:1])NC12CCCCC2
CC(C)CCc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)N3)cc1 CC(C)CC[*:1] O=C1NC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)[*:1])NC12CCCCC2
CC(C)CCc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)N3)cc1 CC(C)[*:1] O=C1NC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)CC[*:1])NC12CCCCC2
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C1CC1)N1CCCC1=O C1CC1[*:1] CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[*:1])N1CCCC1=O
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C1CC1)N1CCCC1=O CC(C)[*:1] O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@@H](N1CCCC1=O)[*:1]
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C1CC1)N1CCCC1=O c1ccc(cc1)C[*:1] CC(C)[C@@H](C(=O)N[C@@H](C1CC1)[*:1])N1CCCC1=O
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C1CC1)N1CCCC1=O O=C1CCCN1[*:1] CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C1CC1)[*:1]
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C1CC1)N1CCCC1=O c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)N[C@@H](C[*:1])C1CC1)N1CCCC1=O
CCn1ccnc(NC2CC[NH+](Cc3ccccn3)CC2)c1=O c1ccc(C[*:1])nc1 CCn1ccnc(NC2CC[NH+](CC2)[*:1])c1=O
CCn1ccnc(NC2CC[NH+](Cc3ccccn3)CC2)c1=O c1ccc(nc1)[*:1] CCn1ccnc(NC2CC[NH+](CC2)C[*:1])c1=O
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccn(C(F)F)n1 FC(F)[*:1] Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccn(n1)[*:1]
Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@@H](C)c1ccccn1 O=C1CCCN1[*:1] Cc1cc(ccc1S(=O)(=O)N[C@@H](C)c1ccccn1)[*:1]
Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] Cc1cc(ccc1S(=O)(=O)N[C@@H](C)[*:1])N1CCCC1=O
Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@@H](C)c1ccccn1 C[C@@H](c1ccccn1)[*:1] Cc1cc(ccc1S(=O)(=O)N[*:1])N1CCCC1=O
C=CC[C@]1(CO)CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 C=CC[*:1] O=C(Cc1ccc2OCOc2c1)N1CCC[C@@](CO)(C1)[*:1]
C#CCN1CCN([C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 C#CC[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H](C)N1CCN(CC1)[*:1]
C#CCN1CCN([C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 CCOC(=O)[*:1] C#CCN1CCN(CC1)[C@H](C)C(=O)N1CCC[C@@H](C1)[*:1]
CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1Cl CC(C)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])C(=O)Nc1ccccc1Cl
CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(CC#N)c2)C12CCCCC2 N#CC[*:1] CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(c2)[*:1])C12CCCCC2
CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(CC#N)c2)C12CCCCC2 CCO[*:1] CN(C(=O)c1cccc(c1)CC#N)[C@H]1C[C@H](C12CCCCC2)[*:1]
Cc1ccn(CC(=O)NCCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)n1 Cc1ccn(n1)[*:1] O=C(C[*:1])NCCN1Cc2ccccc2O[C@H](C1)c1ccccc1F
Cc1ccn(CC(=O)NCCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)n1 Fc1ccccc1[*:1] Cc1ccn(CC(=O)NCCN2Cc3ccccc3O[C@@H](C2)[*:1])n1
Cc1ccn(CC(=O)NCCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)n1 Cc1ccn(C[*:1])n1 O=C(NCCN1Cc2ccccc2O[C@H](C1)c1ccccc1F)[*:1]
Cc1ccn(CC(=O)NCCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)n1 Cc1ccn(CC(=O)N[*:1])n1 Fc1ccccc1[C@H]1CN(CC[*:1])Cc2ccccc2O1
C[NH2+]Cc1cc(Br)ccc1OCC(=O)N(C)C(C)C CC(C)[*:1] C[NH2+]Cc1cc(Br)ccc1OCC(=O)N(C)[*:1]
Cn1nc(-c2ccncc2)cc1NC(=O)Cc1cccc(F)c1F Fc1cccc(c1F)[*:1] Cn1nc(cc1NC(=O)C[*:1])-c1ccncc1
Cn1nc(-c2ccncc2)cc1NC(=O)Cc1cccc(F)c1F c1cc(ccn1)[*:1] Cn1nc(cc1NC(=O)Cc1cccc(F)c1F)[*:1]
Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 NC(=O)[*:1] Cc1nc2c(cnn2c(C)c1CCC(=O)Nc1cccc(c1)C[NH+]1CCCCC1)[*:1]
Cc1cnc(NCCCCc2nc(C)cs2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(NCCCCc2nc(C)cs2)c(c1)[*:1]
Cc1cnc(NCCCCc2nc(C)cs2)c([N+](=O)[O-])c1 Cc1csc(n1)[*:1] Cc1cnc(NCCCC[*:1])c(c1)[N+](=O)[O-]
Cc1cnc(NCCCCc2nc(C)cs2)c([N+](=O)[O-])c1 Cc1csc(C[*:1])n1 Cc1cnc(NCCC[*:1])c(c1)[N+](=O)[O-]
CCOc1ccccc1C(=O)Nc1ccc(Cl)cc1F CCO[*:1] O=C(Nc1ccc(Cl)cc1F)c1ccccc1[*:1]
C[C@@H](CO)[C@@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C C[C@@H](CO)[*:1] C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[*:1]
C[C@@H](C(=O)[O-])N(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 O=C([O-])[*:1] C[C@@H](N(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[*:1]
CCn1cc(NCc2cccs2)c(C)n1 c1csc(c1)[*:1] CCn1cc(NC[*:1])c(C)n1
Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nn1c(nc2ccccc2c1=O)[*:1]
CC[C@H](NC(=O)N[C@@H]1CCCc2c1cnn2C)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)N[C@@H]1CCCc2c1cnn2C)[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)COc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1c(Cl)cccc1NC(=O)CNC(=O)COc1cccc(c1)[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)COc1cccc([N+](=O)[O-])c1 Cc1c(Cl)cccc1[*:1] O=C(COc1cccc(c1)[N+](=O)[O-])NCC(=O)N[*:1]
COc1cccc(C(=O)NNC(=O)c2ccccc2F)c1OC Fc1ccccc1[*:1] COc1cccc(C(=O)NNC(=O)[*:1])c1OC
COc1ccccc1[C@H]1CCCN1C(=O)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@H]1CCCN1C(=O)[C@H](O)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)NCCCCC(F)(F)F)C1 FC(F)(F)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCCCC[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)NCCCCC(F)(F)F)C1 FC(F)(F)CC[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCC[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)NCCCCC(F)(F)F)C1 FC(F)(F)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCCC[*:1]
Cc1cccn2cc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc12 c1cc2OCOc2cc1[*:1] Cc1cccn2cc(nc12)-c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(F)cc3F)o2)cc1C Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1C)S(=O)(=O)Cc1ccc(o1)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(F)cc3F)o2)cc1C Fc1ccc(C[*:1])c(F)c1 Cc1ccc(cc1C)S(=O)(=O)Cc1ccc(o1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(F)cc3F)o2)cc1C Cc1ccc(cc1C)[*:1] O=C(NCc1ccc(F)cc1F)c1ccc(CS(=O)(=O)[*:1])o1
CCN(CC)[C@H](C[NH3+])c1ccc(Br)c(C)c1 CCN(CC)[*:1] Cc1cc(ccc1Br)[C@@H](C[NH3+])[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 COC(=O)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1[*:1])c1cccc(Cl)c1
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)C1=C(C)NC2CC(C)(C)CC(=O)C=2[C@H]1[*:1]
Cc1ccc2nc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)sc2c1 Clc1cc(c(Cl)s1)[*:1] Cc1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[*:1]
S=C1[NH+]=N[C@H](c2cccnc2)N1/N=C/c1cccc2ccccc12 c1cncc(c1)[*:1] S=C1[NH+]=N[C@H](N1/N=C/c1cccc2ccccc12)[*:1]
O[C@H](C[NH2+][C@H]1CCN(C2CC2)C1)c1ccncc1 C1CC1[*:1] O[C@H](C[NH2+][C@H]1CCN(C1)[*:1])c1ccncc1
O[C@H](C[NH2+][C@H]1CCN(C2CC2)C1)c1ccncc1 c1cc(ccn1)[*:1] O[C@H](C[NH2+][C@H]1CCN(C1)C1CC1)[*:1]
Cc1cnc(CNC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)s1 Cc1cnc(C[*:1])s1 O=C(N[*:1])N1CCC(CC1)c1nc2ccccc2[nH]1
Cc1cnc(CNC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)s1 Cc1cnc(s1)[*:1] O=C(NC[*:1])N1CCC(CC1)c1nc2ccccc2[nH]1
CCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1ccc(F)c(F)c1 c1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2ccc(F)c(F)c2)c1[*:1]
CCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)N[*:1])c1-c1ccccc1
CCN(C[C@H]1CCOC1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)OC(=O)[*:1] CCN(C[C@H]1CCOC1)C(=O)c1ccc(cc1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] CCN(C[C@H]1CCOC1)C(=O)c1ccc(cc1)C(=O)O[*:1]
CCOC(=O)C1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 CCOC(=O)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 c1coc(c1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
CN(C)c1cccc(CNC(=O)N(Cc2ccccc2F)C2CC2)c1 CN(C)[*:1] O=C(NCc1cccc(c1)[*:1])N(Cc1ccccc1F)C1CC1
CN(C)c1cccc(CNC(=O)N(Cc2ccccc2F)C2CC2)c1 Fc1ccccc1[*:1] CN(C)c1cccc(c1)CNC(=O)N(C[*:1])C1CC1
CN(C)c1cccc(CNC(=O)N(Cc2ccccc2F)C2CC2)c1 C1CC1[*:1] CN(C)c1cccc(c1)CNC(=O)N(Cc1ccccc1F)[*:1]
CN(C)c1cccc(CNC(=O)N(Cc2ccccc2F)C2CC2)c1 Fc1ccccc1C[*:1] CN(C)c1cccc(c1)CNC(=O)N(C1CC1)[*:1]
CC1=NC(=O)CC(C(=O)N2CCC[C@H](CN3C[C@H](c4ccccc4)N[NH2+]3)C2)=C1 c1ccc(cc1)[*:1] CC1C=C(CC(=O)N=1)C(=O)N1CCC[C@H](CN2C[C@H](N[NH2+]2)[*:1])C1
O=C([O-])CCC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 O=C([O-])CC[*:1] O=C(Nc1ccc2nc(oc2c1)-c1ccccc1)[*:1]
O=C([O-])CCC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 O=C([O-])C[*:1] O=C(C[*:1])Nc1ccc2nc(oc2c1)-c1ccccc1
O=C([O-])CCC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 c1ccc(cc1)[*:1] O=C([O-])CCC(=O)Nc1ccc2nc(oc2c1)[*:1]
O=C([O-])CCC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 O=C([O-])[*:1] O=C(CC[*:1])Nc1ccc2nc(oc2c1)-c1ccccc1
CC[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)[*:1]
COc1cc(SC)ccc1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 COc1cc(ccc1[*:1])SC O=C(c1ccccc1NC(=O)[*:1])N1CCN(CC1)c1ccccc1
COc1cc(SC)ccc1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1cc(ccc1C(=O)Nc1ccccc1C(=O)N1CCN(CC1)[*:1])SC
NC(=S)[C@@H]1CN(Cc2ccccc2Cl)CCO1 NC(=S)[*:1] Clc1ccccc1CN1CCO[C@@H](C1)[*:1]
CC1(C)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 O=[N+]([O-])[*:1] CC1(C)CCCN(C[C@@H](O)Cn2cc(cn2)[*:1])c2ccccc21
CC1(C)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 O=[N+]([O-])c1cnn(c1)[*:1] CC1(C)CCCN(C[C@@H](O)C[*:1])c2ccccc21
CCOc1ccc(F)c(C(=O)NCC(=O)N(C)C)c1F CN(C)C(=O)[*:1] CCOc1ccc(F)c(C(=O)NC[*:1])c1F
CCOc1ccc(F)c(C(=O)NCC(=O)N(C)C)c1F CN(C)C(=O)C[*:1] CCOc1ccc(F)c(C(=O)N[*:1])c1F
CCOc1ccc(F)c(C(=O)NCC(=O)N(C)C)c1F CCO[*:1] CN(C)C(=O)CNC(=O)c1c(F)ccc(c1F)[*:1]
O=C(c1ccc2nccnc2c1)N1CCC(Oc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(c1ccc2nccnc2c1)N1CCC(CC1)O[*:1]
O=C(c1ccc2nccnc2c1)N1CCC(Oc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)O[*:1] O=C(c1ccc2nccnc2c1)N1CCC(CC1)[*:1]
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(F)cc2[nH]cnc12 COC(=O)[*:1] O=C(c1cc(F)cc2[nH]cnc12)N1Cc2ccccc2C[C@@H]1[*:1]
CSc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1 CSc1ccccc1[*:1] O=C(N[*:1])c1cc2c(ccc3ccccc32)o1
CC(C)(CNc1ccccc1C(F)(F)F)S(C)(=O)=O FC(F)(F)[*:1] CC(C)(CNc1ccccc1[*:1])S(C)(=O)=O
CC(C)(CNc1ccccc1C(F)(F)F)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNc1ccccc1C(F)(F)F)[*:1]
CN(C)c1nc(N2CC[C@@H]([NH3+])[C@H](O)C2)ncc1F CN(C)[*:1] [NH3+][C@@H]1CCN(C[C@H]1O)c1ncc(F)c(n1)[*:1]
Cn1c(C2=C(N)N(Cc3cccc(F)c3)CC2=O)[n+](C)c2ccccc21 Fc1cccc(c1)C[*:1] Cn1c(C2C(=O)CN(C=2N)[*:1])[n+](C)c2ccccc21
Cn1c(C2=C(N)N(Cc3cccc(F)c3)CC2=O)[n+](C)c2ccccc21 Fc1cccc(c1)[*:1] Cn1c(C2C(=O)CN(C[*:1])C=2N)[n+](C)c2ccccc21
CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc(C)cc2)n2ncnc2N1 CC(C)OCC[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)O[*:1])c1ccc(C)cc1
CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc(C)cc2)n2ncnc2N1 Cc1ccc(cc1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)OCCOC(C)C)[*:1]
CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc(C)cc2)n2ncnc2N1 CC(C)OC[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)OC[*:1])c1ccc(C)cc1
CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc(C)cc2)n2ncnc2N1 CC(C)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)OCCO[*:1])c1ccc(C)cc1
CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc(C)cc2)n2ncnc2N1 CC(C)O[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)OCC[*:1])c1ccc(C)cc1
CC(C)[C@H](C)NC(=O)Cn1cnc2cccc(Br)c2c1=O CC(C)[*:1] C[C@H](NC(=O)Cn1cnc2cccc(Br)c2c1=O)[*:1]
CC(C)[C@H](C)NC(=O)Cn1cnc2cccc(Br)c2c1=O CC(C)[C@H](C)[*:1] O=C(Cn1cnc2cccc(Br)c2c1=O)N[*:1]
CCc1ccc(N[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 Clc1ccc(cc1)[*:1] CCc1ccc(cc1)N[C@@H]1CC(=O)N(C[*:1])C1=O
CCc1ccc(N[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 Clc1ccc(cc1)C[*:1] CCc1ccc(cc1)N[C@@H]1CC(=O)N(C1=O)[*:1]
CCc1ccc(N[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 CCc1ccc(cc1)[*:1] O=C1C[C@@H](N[*:1])C(=O)N1Cc1ccc(Cl)cc1
COc1ccc(-c2nc(C(=O)Nc3ccccc3OC)nn2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(nn1[*:1])C(=O)Nc1ccccc1OC
COc1ccc(-c2nc(C(=O)Nc3ccccc3OC)nn2-c2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1NC(=O)c1nc(n(n1)-c1ccc(Cl)cc1)[*:1]
COc1ccc(-c2nc(C(=O)Nc3ccccc3OC)nn2-c2ccc(Cl)cc2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-c1nc(nn1-c1ccc(Cl)cc1)C(=O)N[*:1]
O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] O=C1N(Cc2cccc3ccccc23)c2ccccc2[C@]1(O)CC(=O)[*:1]
O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccc1[N+](=O)[O-] c1ccc2c(cccc2c1)[*:1] O=C(C[C@]1(O)C(=O)N(C[*:1])c2ccccc21)c1ccccc1[N+](=O)[O-]
O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccc1[N+](=O)[O-] c1ccc2c(cccc2c1)C[*:1] O=C(C[C@]1(O)C(=O)N(c2ccccc21)[*:1])c1ccccc1[N+](=O)[O-]
O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccc1[*:1]
O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccc1[N+](=O)[O-] O=C(c1ccccc1[N+](=O)[O-])[*:1] O=C1N(Cc2cccc3ccccc23)c2ccccc2[C@]1(O)C[*:1]
Cc1ccc(CNC(=O)N(C)Cc2nnc(C3CC3)n2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)NC[*:1]
Cc1ccc(CNC(=O)N(C)Cc2nnc(C3CC3)n2C)c(C)c1 C1CC1[*:1] Cc1ccc(CNC(=O)N(C)Cc2nnc(n2C)[*:1])c(C)c1
NC(=O)[C@H]1CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCO1 FC(F)(F)[*:1] NC(=O)[C@H]1CN(CCO1)Cc1cc(cc(c1)[*:1])C(F)(F)F
NC(=O)[C@H]1CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCO1 NC(=O)[*:1] FC(F)(F)c1cc(cc(c1)C(F)(F)F)CN1CCO[C@H](C1)[*:1]
CC(C)(C)CNc1ccccc1Cl CC(C)(C)[*:1] Clc1ccccc1NC[*:1]
Cc1cc(C)c(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)c(C)c1 CS(=O)(=O)[*:1] Cc1cc(C)c(C(=O)NNC(=O)c2ccc(cc2)[*:1])c(C)c1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H]2CCC[C@H](C)C2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)N[C@H]2CCC[C@H](C)C2)C1=O)[*:1]
COc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(C)cc4)co3)c2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)-c1coc(n1)-c1cccc(c1)NS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4ccc(C)cc4)co3)c2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)S(=O)(=O)Nc1cccc(c1)-c1nc(co1)[*:1]
C[C@H](CCS)CCOc1cc(F)ccc1[N+](=O)[O-] SCC[*:1] C[C@H](CCOc1cc(F)ccc1[N+](=O)[O-])[*:1]
C[C@H](CCS)CCOc1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](CCS)CCOc1cc(F)ccc1[*:1]
C[C@H](CCS)CCOc1cc(F)ccc1[N+](=O)[O-] C[C@H](CCS)C[*:1] O=[N+]([O-])c1ccc(F)cc1OC[*:1]
CN(C(=O)C[S@](=O)Cc1ccon1)[C@H]1CCCc2ccccc21 c1cc(C[*:1])no1 CN(C(=O)C[S@](=O)[*:1])[C@H]1CCCc2ccccc21
CN(C(=O)C[S@](=O)Cc1ccon1)[C@H]1CCCc2ccccc21 c1cc(no1)[*:1] CN(C(=O)C[S@](=O)C[*:1])[C@H]1CCCc2ccccc21
COc1ccc(C)cc1/C=C/C(=O)NCC[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1/C=C/C(=O)NCC[C@@H](O)[*:1]
COc1ccc(C)cc1/C=C/C(=O)NCC[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] COc1ccc(C)cc1/C=C/C(=O)NCC[*:1]
CN(Cc1ccc(Cl)s1)Cn1ncn(C2CC2)c1=S C1CC1[*:1] CN(Cc1ccc(Cl)s1)Cn1ncn(c1=S)[*:1]
CN(Cc1ccc(Cl)s1)Cn1ncn(C2CC2)c1=S Clc1ccc(s1)[*:1] CN(Cn1ncn(c1=S)C1CC1)C[*:1]
CCc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2ccncc2)cc1 O=C(CS[*:1])c1ccc[nH]1 CCc1ccc(cc1)-n1c(nnc1[*:1])-c1ccncc1
CCc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2ccncc2)cc1 CCc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])c1ccc[nH]1
CCc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2ccncc2)cc1 O=C(c1ccc[nH]1)[*:1] CCc1ccc(cc1)-n1c(nnc1-c1ccncc1)SC[*:1]
CCc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2ccncc2)cc1 c1cc(ccn1)[*:1] CCc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)c1ccc[nH]1
CCc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2ccncc2)cc1 c1c[nH]c(c1)[*:1] CCc1ccc(cc1)-n1c(nnc1-c1ccncc1)SCC(=O)[*:1]
CCc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2ccncc2)cc1 O=C(C[*:1])c1ccc[nH]1 CCc1ccc(cc1)-n1c(nnc1-c1ccncc1)S[*:1]
COc1ccc([C@@H](NC(=O)c2ccnn2C(C)C)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] CC(C)n1nccc1C(=O)N[C@@H](C1CCOCC1)[*:1]
COc1ccc([C@@H](NC(=O)c2ccnn2C(C)C)C2CCOCC2)cc1 CC(C)n1nccc1[*:1] COc1ccc(cc1)[C@@H](NC(=O)[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)c2ccnn2C(C)C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1ccnn1C(C)C)[*:1]
COc1ccc([C@@H](NC(=O)c2ccnn2C(C)C)C2CCOCC2)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1ccnn1[*:1])C1CCOCC1
COC(C)(C)c1noc(C2(c3cccc(C(F)(F)F)c3)CC2)n1 FC(F)(F)[*:1] COC(C)(C)c1noc(n1)C1(CC1)c1cccc(c1)[*:1]
COC(C)(C)c1noc(C2(c3cccc(C(F)(F)F)c3)CC2)n1 COC(C)(C)[*:1] FC(F)(F)c1cccc(c1)C1(CC1)c1nc(no1)[*:1]
CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2Cl)c1 CC(=O)[*:1] C[C@H](NS(=O)(=O)c1cccc(c1)[*:1])c1ccccc1Cl
CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2Cl)c1 Clc1ccccc1[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N[C@@H](C)[*:1]
O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)Nc1cccc2c1CCCC2 c1cc2CCCCc2c(c1)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)S(=O)(=O)N1CCCCC1)N[*:1]
O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)Nc1cccc2c1CCCC2 O=S(=O)(N1CCCCC1)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)[*:1])Nc1cccc2CCCCc21
O=C1NCc2ccc(N[C@H](C(=O)N3CCCC3)c3ccccc3)cc21 O=C(N1CCCC1)[*:1] O=C1NCc2ccc(cc21)N[C@H](c1ccccc1)[*:1]
O=C1NCc2ccc(N[C@H](C(=O)N3CCCC3)c3ccccc3)cc21 c1ccc(cc1)[*:1] O=C1NCc2ccc(cc21)N[C@H](C(=O)N1CCCC1)[*:1]
CC(C)CCNC(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 CC(C)CC[*:1] O=C(Nc1ccc(cc1)Oc1ncc(Cl)cc1Cl)C(=O)N[*:1]
CC(C)CCNC(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 CC(C)C[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)Oc1ncc(Cl)cc1Cl
CC(C)CCNC(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 CC(C)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(cc1)Oc1ncc(Cl)cc1Cl
CC(C)CCNC(=O)C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 Clc1cnc(c(Cl)c1)[*:1] CC(C)CCNC(=O)C(=O)Nc1ccc(cc1)O[*:1]
CCc1ccc([C@H](NC(=O)N2CCC(OC)CC2)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@H](NC(=O)N1CCC(CC1)OC)[*:1]
CO[C@H]1CCC[C@H](OC(=O)c2ccc(-n3ccnn3)cc2)C1 c1cn(nn1)[*:1] CO[C@H]1CCC[C@@H](C1)OC(=O)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)CN1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NC(=O)CN1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O)[*:1]
CC(C)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 CC(C)[C@@H](C)[*:1] O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N[*:1]
CC(C)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 CC(C)[*:1] C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Br)cc1 COC(=O)[*:1] CCOC(=O)C1=C(C)NC2C[C@@H](C)[C@@H](C(=O)C=2[C@@H]1c1ccc(Br)cc1)[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)NC2C[C@@H](C)[C@@H](C(=O)OC)C(=O)C=2[C@H]1[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Br)cc1 CCOC(=O)[*:1] COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C([C@H]2c1ccc(Br)cc1)[*:1]
CO[C@H]1CCC[C@@H](OC(=O)c2ccc(CNC(N)=O)cc2)C1 NC(=O)NC[*:1] CO[C@H]1CCC[C@H](C1)OC(=O)c1ccc(cc1)[*:1]
CO[C@H]1CCC[C@@H](OC(=O)c2ccc(CNC(N)=O)cc2)C1 NC(=O)N[*:1] CO[C@H]1CCC[C@H](C1)OC(=O)c1ccc(cc1)C[*:1]
CCOC(=O)CNS(=O)(=O)c1cc(C)ccc1F CCOC(=O)[*:1] Cc1ccc(F)c(c1)S(=O)(=O)NC[*:1]
CCOC(=O)CNS(=O)(=O)c1cc(C)ccc1F CCOC(=O)C[*:1] Cc1ccc(F)c(c1)S(=O)(=O)N[*:1]
N#Cc1cc(F)c(N2CCC(C(=O)Nc3ccccn3)CC2)c(F)c1 c1ccc(nc1)[*:1] N#Cc1cc(F)c(c(F)c1)N1CCC(CC1)C(=O)N[*:1]
C[C@@H]([NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H]([NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O)[*:1]
C[C@@H]([NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O)C1CCOCC1 CS(=O)(=O)N[*:1] C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1[*:1])C1CCOCC1
Cn1cc(C(=O)NCc2cccc(OCc3ccccn3)c2)c(=O)c2cccn21 c1ccc(CO[*:1])nc1 Cn1cc(C(=O)NCc2cccc(c2)[*:1])c(=O)c2cccn21
Cn1cc(C(=O)NCc2cccc(OCc3ccccn3)c2)c(=O)c2cccn21 c1ccc(C[*:1])nc1 Cn1cc(C(=O)NCc2cccc(c2)O[*:1])c(=O)c2cccn21
Cn1cc(C(=O)NCc2cccc(OCc3ccccn3)c2)c(=O)c2cccn21 c1ccc(nc1)[*:1] Cn1cc(C(=O)NCc2cccc(c2)OC[*:1])c(=O)c2cccn21
O=C(c1cccc(-n2cccn2)c1)N1CCC2(CC1)c1ccccc1C[C@H]2O c1cnn(c1)[*:1] O=C(c1cccc(c1)[*:1])N1CCC2(CC1)c1ccccc1C[C@H]2O
C=CCNC(=O)C(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1 C=CC[*:1] CC(C)(C)NC(=O)N1CCC(CC1)CNC(=O)C(=O)N[*:1]
C=CCNC(=O)C(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] C=CCNC(=O)C(=O)NCC1CCN(CC1)C(=O)N[*:1]
CO[C@@H]1CCC[C@H](OC(=O)Cc2csc(NC(=O)c3ccco3)n2)C1 c1coc(c1)[*:1] CO[C@@H]1CCC[C@@H](C1)OC(=O)Cc1csc(n1)NC(=O)[*:1]
CO[C@@H]1CCC[C@H](OC(=O)Cc2csc(NC(=O)c3ccco3)n2)C1 O=C(N[*:1])c1ccco1 CO[C@@H]1CCC[C@@H](C1)OC(=O)Cc1csc(n1)[*:1]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 C1CO[C@@H](C1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OC[*:1])c1ccc(Cl)cc1
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 Clc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)OC[C@@H]1CCCO1)[*:1]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 C1CO[C@@H](C1)C[*:1] CC1NC(=O)N[C@@H](C=1C(=O)O[*:1])c1ccc(Cl)cc1
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 Cc1ccccc1[*:1] C[C@@H]1C[C@@H](CN1C(=O)CCCn1cc[nH+]c1)[*:1]
CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)C3CCCCC3)cc(C(F)(F)F)c12 C1CCC(CC1)[*:1] CC(C)Nc1n[nH]c2nc(cc(c12)C(F)(F)F)[C@H]1CCCN1C(=O)[*:1]
CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)C3CCCCC3)cc(C(F)(F)F)c12 CC(C)N[*:1] O=C(C1CCCCC1)N1CCC[C@@H]1c1cc(c2c(n[nH]c2n1)[*:1])C(F)(F)F
CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)C3CCCCC3)cc(C(F)(F)F)c12 CC(C)[*:1] O=C(C1CCCCC1)N1CCC[C@@H]1c1cc(c2c(n[nH]c2n1)N[*:1])C(F)(F)F
CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)C3CCCCC3)cc(C(F)(F)F)c12 FC(F)(F)[*:1] CC(C)Nc1n[nH]c2nc(cc(c12)[*:1])[C@H]1CCCN1C(=O)C1CCCCC1
COc1ccc(C2=NN([C@H](C#N)c3ccc(OC)c(OC)c3)[C@@H](c3ccccc3)C2)cc1 COc1ccc(cc1OC)[*:1] COc1ccc(cc1)C1C[C@H](c2ccccc2)N(N=1)[C@H](C#N)[*:1]
COc1ccc(C2=NN([C@H](C#N)c3ccc(OC)c(OC)c3)[C@@H](c3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H](C#N)N1N=C(C[C@@H]1c1ccccc1)[*:1]
COc1ccc(C2=NN([C@H](C#N)c3ccc(OC)c(OC)c3)[C@@H](c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@H](N(N=1)[C@H](C#N)c1ccc(OC)c(c1)OC)[*:1]
COCC(=O)N1CCN(C(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 COC[*:1] CC(C)(C)[C@H](NC(=O)N1CCN(CC1)C(=O)[*:1])c1cccs1
COCC(=O)N1CCN(C(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 CC(C)(C)[*:1] COCC(=O)N1CCN(CC1)C(=O)N[C@H](c1cccs1)[*:1]
COCC(=O)N1CCN(C(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 c1csc(c1)[*:1] COCC(=O)N1CCN(CC1)C(=O)N[C@H](C(C)(C)C)[*:1]
C[NH+](C)C1CCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 c1cc(co1)[*:1] C[NH+](C)C1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1Cl CNC(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
Oc1c(Br)ccc2cccc(OC(F)(F)F)c12 FC(F)(F)O[*:1] Oc1c(Br)ccc2cccc(c12)[*:1]
Oc1c(Br)ccc2cccc(OC(F)(F)F)c12 FC(F)(F)[*:1] Oc1c(Br)ccc2cccc(O[*:1])c12
CC(C)CNC(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1 CC(C)CNC(=O)C[*:1] c1cc2OCCOc2cc1C1(CCCC1)N[*:1]
CC(C)CNC(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1 CC(C)C[*:1] O=C(CNC1(CCCC1)c1ccc2OCCOc2c1)N[*:1]
CC(C)CNC(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1 CC(C)CNC(=O)[*:1] c1cc2OCCOc2cc1C1(CCCC1)NC[*:1]
CC(C)CNC(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1 CC(C)[*:1] O=C(CNC1(CCCC1)c1ccc2OCCOc2c1)NC[*:1]
Cc1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccncc2)c1 c1cc(ccn1)[*:1] Cc1cccc(c1)NC(=O)N1CCc2[nH]cnc2[C@H]1[*:1]
Cc1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccncc2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])N1CCc2[nH]cnc2[C@@H]1c1ccncc1
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1)[*:1]
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCC1=O O=C1CCCN1[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ccc(Cl)cc1
Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCC1=O Clc1ccc(cc1)[*:1] Cc1cc(ccc1N1CCCC1=O)NC(=O)[*:1]
CC[C@@H]([NH3+])[C@@H](N(C)[C@@H](C)Cc1cccs1)C(C)(C)C c1csc(c1)[*:1] CC[C@@H]([NH3+])[C@@H](N(C)[C@@H](C)C[*:1])C(C)(C)C
CC[C@@H]([NH3+])[C@@H](N(C)[C@@H](C)Cc1cccs1)C(C)(C)C CC(C)(C)[*:1] CC[C@@H]([NH3+])[C@@H](N(C)[C@@H](C)Cc1cccs1)[*:1]
CC[C@@H]([NH3+])[C@@H](N(C)[C@@H](C)Cc1cccs1)C(C)(C)C c1csc(c1)C[*:1] CC[C@@H]([NH3+])[C@@H](N(C)[C@@H](C)[*:1])C(C)(C)C
CC(C)[C@@H](NS(=O)(=O)c1cccc2cnccc12)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NS(=O)(=O)c1cccc2cnccc12)[*:1]
CC(C)[C@@H](NS(=O)(=O)c1cccc2cnccc12)c1ccccn1 CC(C)[*:1] O=S(=O)(N[C@@H](c1ccccn1)[*:1])c1cccc2cnccc12
CC(C)CCOc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 CC(C)CC[*:1] O=C(Nc1cccc(c1)O[*:1])N1CC[NH+](CC1)C[C@@H]1CCOC1
CC(C)CCOc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 CC(C)CCO[*:1] O=C(Nc1cccc(c1)[*:1])N1CC[NH+](CC1)C[C@@H]1CCOC1
CC(C)CCOc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 CC(C)C[*:1] O=C(Nc1cccc(c1)OC[*:1])N1CC[NH+](CC1)C[C@@H]1CCOC1
CC(C)CCOc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)OCC[*:1])N1CC[NH+](CC1)C[C@@H]1CCOC1
CC[C@H](CC1CCCC1)C(=O)N(C)Cc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@H](CC1CCCC1)C(=O)N(C)C[*:1]
CC[C@H](CC1CCCC1)C(=O)N(C)Cc1cc(C)on1 C1CCC(C1)C[*:1] CC[C@H](C(=O)N(C)Cc1cc(C)on1)[*:1]
CC[C@H](CC1CCCC1)C(=O)N(C)Cc1cc(C)on1 C1CCC(C1)[*:1] CC[C@H](C[*:1])C(=O)N(C)Cc1cc(C)on1
O=C(c1ccc(N2CCCC2)nc1)N1CCC(Cn2cccn2)CC1 C1CCN(C1)[*:1] O=C(c1ccc(nc1)[*:1])N1CCC(CC1)Cn1cccn1
O=C(c1ccc(N2CCCC2)nc1)N1CCC(Cn2cccn2)CC1 c1cnn(c1)C[*:1] O=C(c1ccc(nc1)N1CCCC1)N1CCC(CC1)[*:1]
O=C(c1ccc(N2CCCC2)nc1)N1CCC(Cn2cccn2)CC1 c1cnn(c1)[*:1] O=C(c1ccc(nc1)N1CCCC1)N1CCC(CC1)C[*:1]
COc1ccc([C@H](CNS(=O)(=O)c2ccc(C)cc2Cl)N2CCOCC2)cc1 Cc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)[C@H](CNS(=O)(=O)[*:1])N1CCOCC1
COc1ccc([C@H](CNS(=O)(=O)c2ccc(C)cc2Cl)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)NC[C@H](N1CCOCC1)[*:1]
COc1ccc([C@H](CNS(=O)(=O)c2ccc(C)cc2Cl)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNS(=O)(=O)c1ccc(C)cc1Cl)[*:1]
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC[C@@H]2c2[nH+]ccn2C)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(NC(=O)CN2CCC[C@@H]2c2[nH+]ccn2C)n(n1)[*:1]
O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C2CC2)cs1 C1CC1[*:1] O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(cs1)[*:1]
O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C2CC2)cs1 O=[N+]([O-])[*:1] c1ccc(c(c1)C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(cs1)C1CC1)[*:1]
O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C2CC2)cs1 c1sc(nc1C1CC1)[*:1] O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[*:1]
C=CCn1c(Sc2cncc(SCC)n2)nnc1C1CC1 C1CC1[*:1] C=CCn1c(nnc1[*:1])Sc1cncc(n1)SCC
C=CCn1c(Sc2cncc(SCC)n2)nnc1C1CC1 C=CC[*:1] CCSc1cncc(n1)Sc1nnc(C2CC2)n1[*:1]
C=CCn1c(Sc2cncc(SCC)n2)nnc1C1CC1 CCS[*:1] C=CCn1c(nnc1C1CC1)Sc1cncc(n1)[*:1]
C=CCN1C(=O)NC(=O)C(/C(C)=N/CC[NH+]2CCN(C(C)=O)CC2)C1=O C=CC[*:1] CC(=O)N1CC[NH+](CC/N=C(\C)C2C(=O)NC(=O)N(C2=O)[*:1])CC1
Cc1cc(NC(=O)[C@H](C)SCc2ccccc2)no1 Cc1cc(no1)[*:1] C[C@H](SCc1ccccc1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@H](C)SCc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)SC[*:1]
Cc1nc(NC(=O)c2cnn(C)c2)sc1-c1ccccn1 Cn1cc(cn1)[*:1] Cc1nc(NC(=O)[*:1])sc1-c1ccccn1
Cc1nc(NC(=O)c2cnn(C)c2)sc1-c1ccccn1 c1ccc(nc1)[*:1] Cc1nc(NC(=O)c2cnn(C)c2)sc1[*:1]
CCc1ccc(CNC(=O)N(C)Cc2ccc(C(=O)OC)cc2)s1 CCc1ccc(C[*:1])s1 COC(=O)c1ccc(cc1)CN(C)C(=O)N[*:1]
CCc1ccc(CNC(=O)N(C)Cc2ccc(C(=O)OC)cc2)s1 COC(=O)[*:1] CCc1ccc(CNC(=O)N(C)Cc2ccc(cc2)[*:1])s1
CCc1ccc(CNC(=O)N(C)Cc2ccc(C(=O)OC)cc2)s1 CCc1ccc(s1)[*:1] COC(=O)c1ccc(cc1)CN(C)C(=O)NC[*:1]
Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCc3c(O)cccc32)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(c(N[C@H]2CCc3c(O)cccc32)c1[N+](=O)[O-])[*:1])CO
Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCc3c(O)cccc32)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(c(N[C@H]2CCc3c(O)cccc32)c1[*:1])[N+](=O)[O-])CO
Cc1ccc(S(=O)(=O)CCCn2c3c(sc2=O)CCCCC3)cc1 Cc1ccc(cc1)[*:1] O=c1sc2CCCCCc2n1CCCS(=O)(=O)[*:1]
Cc1cc([C@]2(C)NC(=O)N(Cc3cc(=O)n4ccccc4n3)C2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@]1(NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O)[*:1]
O=CN1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 O=C([O-])[*:1] O=CN1CCN(CC1)C(=O)Cc1ccccc1[*:1]
O=C([O-])c1c[nH+]c2c(C(F)(F)F)cccc2c1NCc1cccnc1 c1cncc(c1)CN[*:1] O=C([O-])c1c[nH+]c2c(cccc2c1[*:1])C(F)(F)F
O=C([O-])c1c[nH+]c2c(C(F)(F)F)cccc2c1NCc1cccnc1 c1cncc(c1)[*:1] O=C([O-])c1c[nH+]c2c(cccc2c1NC[*:1])C(F)(F)F
O=C([O-])c1c[nH+]c2c(C(F)(F)F)cccc2c1NCc1cccnc1 FC(F)(F)[*:1] O=C([O-])c1c[nH+]c2c(cccc2c1NCc1cccnc1)[*:1]
O=C([O-])c1c[nH+]c2c(C(F)(F)F)cccc2c1NCc1cccnc1 O=C([O-])[*:1] FC(F)(F)c1cccc2c(NCc3cccnc3)c(c[nH+]c12)[*:1]
O=C([O-])c1c[nH+]c2c(C(F)(F)F)cccc2c1NCc1cccnc1 c1cncc(c1)C[*:1] O=C([O-])c1c[nH+]c2c(cccc2c1N[*:1])C(F)(F)F
Cc1ccc(C)c(N2C(SCc3ccc(C)c(C)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1C)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1ccc(C)c(N2C(SCc3ccc(C)c(C)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 Cc1ccc(cc1C)[*:1] Cc1ccc(C)c(c1)N1C(=N[C@@H]2CS(=O)(=O)C[C@H]21)SC[*:1]
Cc1ccc(C)c(N2C(SCc3ccc(C)c(C)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 Cc1ccc(cc1C)C[*:1] Cc1ccc(C)c(c1)N1C(=N[C@@H]2CS(=O)(=O)C[C@H]21)S[*:1]
CC(C)[C@](C)(O)CNC(=O)c1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)[C@](C)(O)CNC(=O)c1ccn(n1)[*:1]
CC(C)[C@](C)(O)CNC(=O)c1ccn(-c2ccccc2)n1 CC(C)[*:1] C[C@](O)(CNC(=O)c1ccn(n1)-c1ccccc1)[*:1]
Cc1ccc(N2C(=O)c3ccccc3N[C@@]23CCSC3)cc1 Cc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@@]2(CCSC2)N1[*:1]
CCOc1ccccc1/C=C/C(=O)NC[C@@](C)(O)c1ccc(C)o1 CCO[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)/C=C/c1ccccc1[*:1]
CCOc1ccccc1/C=C/C(=O)NC[C@@](C)(O)c1ccc(C)o1 Cc1ccc(o1)[*:1] CCOc1ccccc1/C=C/C(=O)NC[C@@](C)(O)[*:1]
Cc1ccc(NC(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)NC(=O)CSc1ccc(cn1)[*:1]
Cc1ccc(NC(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1ccc(cn1)C(=O)N1CCCC1)N[*:1]
Cc1ccc(F)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccc(F)cc1S(=O)(=O)Nc1cc(ccc1N(C)[*:1])C(=O)[O-]
Cc1ccc(F)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N(C)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(F)cc1S(=O)(=O)Nc1cc(ccc1N(C)C[*:1])C(=O)[O-]
Cc1ccc(F)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N(C)Cc1ccccc1 CN(Cc1ccccc1)[*:1] Cc1ccc(F)cc1S(=O)(=O)Nc1cc(ccc1[*:1])C(=O)[O-]
Cc1ccc(F)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N(C)Cc1ccccc1 O=C([O-])[*:1] Cc1ccc(F)cc1S(=O)(=O)Nc1cc(ccc1N(C)Cc1ccccc1)[*:1]
Cc1ccc(F)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N(C)Cc1ccccc1 Cc1ccc(F)cc1[*:1] CN(Cc1ccccc1)c1ccc(cc1NS(=O)(=O)[*:1])C(=O)[O-]
CCn1nc(C)cc1C(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C CCn1nc(C)cc1[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)[*:1]
CCn1nc(C)cc1C(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] CCn1nc(C)cc1C(=O)N1[C@@H](C)CO[C@@H]([C@@H]1C)[*:1]
Cn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl O=C([O-])c1cccc(c1)[*:1] Cn1c(nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl)SCC(=O)N[*:1]
Cn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl O=C([O-])[*:1] Cn1c(nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl)SCC(=O)Nc1cccc(c1)[*:1]
Cn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H]1CCCN1C(=O)c1ccccc1Cl Clc1ccccc1[*:1] Cn1c(nnc1[C@@H]1CCCN1C(=O)[*:1])SCC(=O)Nc1cccc(c1)C(=O)[O-]
CCc1c(C(=O)NCC(=O)[O-])nnn1-c1ccc(C)cc1 O=C([O-])C[*:1] CCc1c(nnn1-c1ccc(C)cc1)C(=O)N[*:1]
CCc1c(C(=O)NCC(=O)[O-])nnn1-c1ccc(C)cc1 O=C([O-])[*:1] CCc1c(nnn1-c1ccc(C)cc1)C(=O)NC[*:1]
CCc1c(C(=O)NCC(=O)[O-])nnn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1c(nnn1[*:1])C(=O)NCC(=O)[O-]
CCc1c(C(=O)NCC(=O)[O-])nnn1-c1ccc(C)cc1 O=C([O-])CNC(=O)[*:1] CCc1c(nnn1-c1ccc(C)cc1)[*:1]
Cc1noc(C)c1C(=O)N1CCC[C@H](c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 Cc1noc(C)c1[*:1] O=C(Nc1ccc(F)cc1)c1ccc(nc1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1noc(C)c1C(=O)N1CCC[C@H](c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 Fc1ccc(cc1)[*:1] Cc1noc(C)c1C(=O)N1CCC[C@@H](C1)c1ccc(cn1)C(=O)N[*:1]
Cc1noc(C)c1C(=O)N1CCC[C@H](c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 O=C(Nc1ccc(F)cc1)[*:1] Cc1noc(C)c1C(=O)N1CCC[C@@H](C1)c1ccc(cn1)[*:1]
C#CCNC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 C#CCNC(=O)N[*:1] C[C@H](c1ccc(cc1)NC(=O)c1ccc(F)cc1)[*:1]
C#CCNC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C#CCNC(=O)N[C@H](C)c1ccc(cc1)NC(=O)[*:1]
C#CCNC(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 C#CC[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)NC(=O)c1ccc(F)cc1
C[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(F)cc2)no1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)[*:1])c1nc(no1)-c1ccc(F)cc1
C[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(F)cc2)no1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)C[*:1])c1nc(no1)-c1ccc(F)cc1
C[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CCc1ccccc1)c1nc(no1)[*:1]
C[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(F)cc2)no1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CC[*:1])c1nc(no1)-c1ccc(F)cc1
O=C(CSc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F Clc1ccccc1[*:1] O=C(CS[*:1])Nc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
O=C(CSc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F Clc1ccccc1S[*:1] O=C(C[*:1])Nc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
O=C(CSc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F O=[N+]([O-])[*:1] O=C(CSc1ccccc1Cl)Nc1ccc(cc1C(F)(F)F)[*:1]
O=C(CSc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F FC(F)(F)[*:1] O=C(CSc1ccccc1Cl)Nc1ccc(cc1[*:1])[N+](=O)[O-]
O=C(NC1CC1)[C@@H](Oc1ccc(Br)cc1F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC1CC1)[C@@H](Oc1ccc(Br)cc1F)[*:1]
O=C(NC1CC1)[C@@H](Oc1ccc(Br)cc1F)c1ccc(F)cc1 O=C(NC1CC1)[*:1] Fc1ccc(cc1)[C@H](Oc1ccc(Br)cc1F)[*:1]
O=C(NC1CC1)[C@@H](Oc1ccc(Br)cc1F)c1ccc(F)cc1 C1CC1[*:1] O=C(N[*:1])[C@@H](Oc1ccc(Br)cc1F)c1ccc(F)cc1
CC1(C)CCC[C@@H]1NC(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 C1CC1[*:1] CC1(C)CCC[C@@H]1NC(=O)NCc1ccc(cc1)S(=O)(=O)N[*:1]
CC1(C)CCC[C@@H]1NC(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 O=S(=O)(NC1CC1)[*:1] CC1(C)CCC[C@@H]1NC(=O)NCc1ccc(cc1)[*:1]
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccn(C)n2)cc1 Cn1ccc(n1)NC(=O)[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)[*:1]
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccn(C)n2)cc1 Cn1ccc(n1)[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)N[*:1]
NC(=O)CCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 NC(=O)CC[*:1] O=C(NC[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
NC(=O)CCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 NC(=O)C[*:1] O=C(NCC[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
NC(=O)CCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 NC(=O)[*:1] O=C(NCCC[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
NC(=O)CCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 NC(=O)CCC[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
NC(=O)CCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 c1coc(c1)[*:1] NC(=O)CCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
COc1ccc(OC)c(N2C(=O)c3cnc4c(c(C)nn4-c4cccc(F)c4)c3C2=O)c1 Fc1cccc(c1)[*:1] COc1ccc(OC)c(c1)N1C(=O)c2cnc3c(c(C)nn3[*:1])c2C1=O
COc1ccc(OC)c(N2C(=O)c3cnc4c(c(C)nn4-c4cccc(F)c4)c3C2=O)c1 COc1ccc(OC)c(c1)[*:1] Cc1nn(-c2cccc(F)c2)c2ncc3C(=O)N(C(=O)c3c12)[*:1]
Cc1cc(C)n([C@H](C)[C@H](C)C(=O)[O-])n1 O=C([O-])[*:1] Cc1cc(C)n(n1)[C@H](C)[C@H](C)[*:1]
O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1cccc(Cl)c1 Clc1ccccc1O[*:1] O=C(C[*:1])NNC(=S)NC(=O)c1cccc(Cl)c1
O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(COc1ccccc1Cl)NNC(=S)NC(=O)[*:1]
O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1cccc(Cl)c1 Clc1ccccc1[*:1] O=C(CO[*:1])NNC(=S)NC(=O)c1cccc(Cl)c1
COc1cc(Cl)c(C)cc1NC(=O)CSC(=S)N(C)C CN(C)C(=S)S[*:1] COc1cc(Cl)c(C)cc1NC(=O)C[*:1]
CC(C)N1C(=O)C[C@@H](NC(=O)c2cccc3[nH]ccc23)C1=O CC(C)[*:1] O=C(N[C@@H]1CC(=O)N(C1=O)[*:1])c1cccc2[nH]ccc12
COc1cc(CNc2ncn[nH]2)cc(Br)c1OCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] COc1cc(cc(Br)c1OC[*:1])CNc1ncn[nH]1
COc1cc(CNc2ncn[nH]2)cc(Br)c1OCc1ccc2c(c1)OCO2 c1n[nH]c(n1)NC[*:1] COc1cc(cc(Br)c1OCc1ccc2OCOc2c1)[*:1]
COc1cc(CNc2ncn[nH]2)cc(Br)c1OCc1ccc2c(c1)OCO2 c1n[nH]c(n1)N[*:1] COc1cc(cc(Br)c1OCc1ccc2OCOc2c1)C[*:1]
COc1cc(CNc2ncn[nH]2)cc(Br)c1OCc1ccc2c(c1)OCO2 c1n[nH]c(n1)[*:1] COc1cc(cc(Br)c1OCc1ccc2OCOc2c1)CN[*:1]
CN1C(=O)N=C([O-])/C(=N/Nc2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] CN1C(=O)N=C([O-])/C(=N/Nc2ccc(cc2)[*:1])C1=O
C[C@@H](NC(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O)c1ccccn1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1cccc(C(=O)NC[*:1])c1=O)c1ccccn1
C[C@@H](NC(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O)c1ccccn1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)Cn1cccc(C(=O)N[*:1])c1=O)c1ccccn1
C[C@@H](NC(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O)[*:1]
N/C(=N/O)[C@H]1CN(C(=O)CC2CC2)CCO1 C1CC1[*:1] N/C(=N/O)[C@H]1CN(CCO1)C(=O)C[*:1]
N/C(=N/O)[C@H]1CN(C(=O)CC2CC2)CCO1 C1CC1C[*:1] N/C(=N/O)[C@H]1CN(CCO1)C(=O)[*:1]
N/C(=N/O)[C@H]1CN(C(=O)CC2CC2)CCO1 N/C(=N/O)[*:1] O=C(CC1CC1)N1CCO[C@H](C1)[*:1]
CC(C)OC[C@@H](O)Cc1ccc(Cl)cc1Cl CC(C)OC[*:1] O[C@@H](Cc1ccc(Cl)cc1Cl)[*:1]
CC(C)OC[C@@H](O)Cc1ccc(Cl)cc1Cl CC(C)O[*:1] O[C@@H](Cc1ccc(Cl)cc1Cl)C[*:1]
CC(C)OC[C@@H](O)Cc1ccc(Cl)cc1Cl CC(C)[*:1] O[C@H](CO[*:1])Cc1ccc(Cl)cc1Cl
CCn1ccnc(NCCc2csc(C)n2)c1=O Cc1nc(cs1)[*:1] CCn1ccnc(NCC[*:1])c1=O
CCN(C[C@@H](C)C(=O)OC)C(=O)[C@H]1SCCc2ccccc21 COC(=O)[C@H](C)C[*:1] CCN(C(=O)[C@H]1SCCc2ccccc21)[*:1]
CCN(C[C@@H](C)C(=O)OC)C(=O)[C@H]1SCCc2ccccc21 COC(=O)[C@H](C)[*:1] CCN(C[*:1])C(=O)[C@H]1SCCc2ccccc21
CCN(C[C@@H](C)C(=O)OC)C(=O)[C@H]1SCCc2ccccc21 COC(=O)[*:1] CCN(C[C@@H](C)[*:1])C(=O)[C@H]1SCCc2ccccc21
C#C[C@@H](OC(=O)[C@@H](C)OCC1CC1)C1CC1 C1CC1[*:1] C#C[C@@H](OC(=O)[C@@H](C)OC[*:1])C1CC1
C#C[C@@H](OC(=O)[C@@H](C)OCC1CC1)C1CC1 C1CC1[*:1] C#C[C@@H](OC(=O)[C@@H](C)OCC1CC1)[*:1]
C#C[C@@H](OC(=O)[C@@H](C)OCC1CC1)C1CC1 C1CC1CO[*:1] C#C[C@@H](OC(=O)[C@@H](C)[*:1])C1CC1
C#C[C@@H](OC(=O)[C@@H](C)OCC1CC1)C1CC1 C1CC1C[*:1] C#C[C@@H](OC(=O)[C@@H](C)O[*:1])C1CC1
CC(C)(CNC(=O)c1ccncc1I)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)c1ccncc1I)[*:1]
C[C@@H]1CN(Cc2ccccc2NC(=O)C#Cc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(Cc2ccccc2NC(=O)C#C[*:1])C[C@@H](C)O1
C[C@@H]1CN(Cc2ccccc2NC(=O)C#Cc2ccccc2)C[C@@H](C)O1 C(#C[*:1])c1ccccc1 C[C@@H]1CN(Cc2ccccc2NC(=O)[*:1])C[C@@H](C)O1
Cc1cc(N)cc(C)c1S(=O)(=O)NC[C@@H]1CCC(=O)N1 O=C1CC[C@H](N1)[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)NC[*:1]
COc1ccc(OC)c(N2C[C@@H](C(=O)N[C@@H](C)c3cccc(F)c3)CC2=O)c1 C[C@@H](c1cccc(F)c1)[*:1] COc1ccc(OC)c(c1)N1C[C@H](CC1=O)C(=O)N[*:1]
COc1ccc(OC)c(N2C[C@@H](C(=O)N[C@@H](C)c3cccc(F)c3)CC2=O)c1 Fc1cccc(c1)[*:1] COc1ccc(OC)c(c1)N1C[C@H](CC1=O)C(=O)N[C@@H](C)[*:1]
O=S(=O)(NC1CC[NH+](Cc2ccc(F)cc2Cl)CC1)c1cccs1 Fc1ccc(c(Cl)c1)[*:1] O=S(=O)(NC1CC[NH+](CC1)C[*:1])c1cccs1
O=S(=O)(NC1CC[NH+](Cc2ccc(F)cc2Cl)CC1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(NC1CC[NH+](CC1)Cc1ccc(F)cc1Cl)[*:1]
CC(C)c1ccc(CN2CC[NH+](Cn3nc(C[C@H]4CCS(=O)(=O)C4)n(C)c3=S)CC2)cc1 CC(C)c1ccc(cc1)C[*:1] Cn1c(C[C@H]2CCS(=O)(=O)C2)nn(C[NH+]2CCN(CC2)[*:1])c1=S
CC(C)c1ccc(CN2CC[NH+](Cn3nc(C[C@H]4CCS(=O)(=O)C4)n(C)c3=S)CC2)cc1 CC(C)[*:1] Cn1c(C[C@H]2CCS(=O)(=O)C2)nn(C[NH+]2CCN(CC2)Cc2ccc(cc2)[*:1])c1=S
CC(C)c1ccc(CN2CC[NH+](Cn3nc(C[C@H]4CCS(=O)(=O)C4)n(C)c3=S)CC2)cc1 CC(C)c1ccc(cc1)[*:1] Cn1c(C[C@H]2CCS(=O)(=O)C2)nn(C[NH+]2CCN(CC2)C[*:1])c1=S
Cc1ccc([C@H]2CSCCN2C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CCSC[C@@H]1[*:1]
O=C([O-])c1cc(F)cc(-c2cccc(F)c2F)c1 O=C([O-])[*:1] Fc1cc(cc(c1)[*:1])-c1cccc(F)c1F
CC(C)(C)OC(=O)[C@H](N)c1ccnc(C#N)c1 CC(C)(C)[*:1] N#Cc1cc(ccn1)[C@@H](N)C(=O)O[*:1]
CC(C)CC(=O)NNC(=O)c1ccncc1 CC(C)C[*:1] O=C(NNC(=O)[*:1])c1ccncc1
CC(C)CC(=O)NNC(=O)c1ccncc1 CC(C)[*:1] O=C(C[*:1])NNC(=O)c1ccncc1
COc1cccc(-n2nc(C(=O)N3CCOCC3)c(=O)n(Cc3ccccc3Cl)c2=O)c1 O=C(N1CCOCC1)[*:1] COc1cccc(c1)-n1nc(c(=O)n(Cc2ccccc2Cl)c1=O)[*:1]
COc1cccc(-n2nc(C(=O)N3CCOCC3)c(=O)n(Cc3ccccc3Cl)c2=O)c1 Clc1ccccc1C[*:1] COc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c(=O)n(c1=O)[*:1]
COc1cccc(-n2nc(C(=O)N3CCOCC3)c(=O)n(Cc3ccccc3Cl)c2=O)c1 COc1cccc(c1)[*:1] O=C(c1nn(c(=O)n(Cc2ccccc2Cl)c1=O)[*:1])N1CCOCC1
COc1cccc(-n2nc(C(=O)N3CCOCC3)c(=O)n(Cc3ccccc3Cl)c2=O)c1 Clc1ccccc1[*:1] COc1cccc(c1)-n1nc(C(=O)N2CCOCC2)c(=O)n(C[*:1])c1=O
CCCCc1nc(-c2nccn2[C@H](C)c2ccc(C)nc2)c[nH]1 CCCC[*:1] Cc1ccc(cn1)[C@@H](C)n1ccnc1-c1c[nH]c(n1)[*:1]
CCCCc1nc(-c2nccn2[C@H](C)c2ccc(C)nc2)c[nH]1 Cc1ccc(cn1)[*:1] CCCCc1nc(c[nH]1)-c1nccn1[C@H](C)[*:1]
CCCCc1nc(-c2nccn2[C@H](C)c2ccc(C)nc2)c[nH]1 CCC[*:1] Cc1ccc(cn1)[C@@H](C)n1ccnc1-c1c[nH]c(C[*:1])n1
COc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)cc1 COc1ccc(cc1)[*:1] O=S(=O)([N-]c1cc(ccc1F)-n1cnnn1)[*:1]
COc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)cc1 c1nnnn1[*:1] COc1ccc(cc1)S(=O)(=O)[N-]c1cc(ccc1F)[*:1]
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cncc(C)c2)c1C COC[*:1] Cc1cncc(c1)NC(=O)/C(C#N)=C\c1cc(C)n(c1C)[C@@H](C)[*:1]
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cncc(C)c2)c1C Cc1cncc(c1)[*:1] COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[*:1])c1C
COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cncc(C)c2)c1C COC[C@H](C)[*:1] Cc1cncc(c1)NC(=O)/C(C#N)=C\c1cc(C)n(c1C)[*:1]
C[C@H]1C[C@@H]([NH2+]C[C@@H]2CN(C3CC3)CCO2)CCN1Cc1ccccc1 C1CC1[*:1] C[C@H]1C[C@H](CCN1Cc1ccccc1)[NH2+]C[C@@H]1CN(CCO1)[*:1]
C[C@H]1C[C@@H]([NH2+]C[C@@H]2CN(C3CC3)CCO2)CCN1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CCN1C[*:1])[NH2+]C[C@@H]1CN(CCO1)C1CC1
C[C@H]1C[C@@H]([NH2+]C[C@@H]2CN(C3CC3)CCO2)CCN1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1C[C@H](CCN1[*:1])[NH2+]C[C@@H]1CN(CCO1)C1CC1
C=CCn1c([O-])c(C(=O)/C=C/C2=c3ccccc3=[NH+]C2)c(=O)[nH]c1=O C=CC[*:1] O=C(/C=C/C1C[NH+]=c2ccccc2=1)c1c([O-])n(c(=O)[nH]c1=O)[*:1]
CN1CC[N+](=c2c(O)c(O)/c2=N\C[C@H](c2ccco2)[NH+](C)C)CC1 c1coc(c1)[*:1] CN1CC[N+](CC1)=c1c(O)c(O)/c1=N\C[C@H]([NH+](C)C)[*:1]
COCC(=O)Nc1ccc(OC)nc1N1CCN(C(C)=O)CC1 COCC(=O)N[*:1] COc1ccc(c(n1)N1CCN(CC1)C(C)=O)[*:1]
COCC(=O)Nc1ccc(OC)nc1N1CCN(C(C)=O)CC1 COC[*:1] COc1ccc(NC(=O)[*:1])c(n1)N1CCN(CC1)C(C)=O
CCOc1ccc(CC(=O)Nc2nc3c(s2)C[NH+](Cc2ccccc2)CC3)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)CC(=O)Nc1nc2CC[NH+](Cc2s1)C[*:1]
CCOc1ccc(CC(=O)Nc2nc3c(s2)C[NH+](Cc2ccccc2)CC3)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1nc2CC[NH+](Cc3ccccc3)Cc2s1
CCOc1ccc(CC(=O)Nc2nc3c(s2)C[NH+](Cc2ccccc2)CC3)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)CC(=O)Nc1nc2CC[NH+](Cc2s1)[*:1]
CCOc1ccc(CC(=O)Nc2nc3c(s2)C[NH+](Cc2ccccc2)CC3)cc1 CCOc1ccc(cc1)[*:1] O=C(C[*:1])Nc1nc2CC[NH+](Cc3ccccc3)Cc2s1
Cn1nc(C(=O)NCc2cccnc2)c(=O)c2cc(F)ccc21 c1cncc(c1)[*:1] Cn1nc(C(=O)NC[*:1])c(=O)c2cc(F)ccc21
Cn1nc(C(=O)NCc2cccnc2)c(=O)c2cc(F)ccc21 c1cncc(c1)C[*:1] Cn1nc(C(=O)N[*:1])c(=O)c2cc(F)ccc21
COC(=O)c1ccc(NC(=O)[C@H]2c3cc(F)ccc3CCN2C(=O)OC)cc1 COC(=O)[*:1] COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Br)c1O CC(C)CCOC(=O)[*:1] COc1cc(cc(Br)c1O)[C@H]1NC(=O)N(C)C(C)=C1[*:1]
COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Br)c1O CC(C)[*:1] COc1cc(cc(Br)c1O)[C@H]1NC(=O)N(C)C(C)=C1C(=O)OCC[*:1]
COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Br)c1O CC(C)CC[*:1] COc1cc(cc(Br)c1O)[C@H]1NC(=O)N(C)C(C)=C1C(=O)O[*:1]
COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Br)c1O CC(C)C[*:1] COc1cc(cc(Br)c1O)[C@H]1NC(=O)N(C)C(C)=C1C(=O)OC[*:1]
O=C(Nc1ccccn1)[C@H]1CCCN(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1ccccn1)[C@H]1CCCN(C1)C[*:1]
O=C(Nc1ccccn1)[C@H]1CCCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(Nc1ccccn1)[C@H]1CCCN(C1)[*:1]
O=C(Nc1ccccn1)[C@H]1CCCN(CC(F)(F)F)C1 c1ccc(nc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)CC(F)(F)F
COC(=O)c1ccc(/C=C/C(=O)NCCc2ccc3c(c2)OCO3)cc1 COC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NCCc1ccc2OCOc2c1
O=C(Nc1cccc(Cl)c1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(Nc1cccc(Cl)c1)N1CCOC[C@@H]1[*:1]
CC[C@H]1CCCC[C@@H]1Oc1ccc(C)nc1C[NH2+]C(C)C CC(C)[*:1] CC[C@H]1CCCC[C@@H]1Oc1ccc(C)nc1C[NH2+][*:1]
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)sc2c1CC[C@H](C)C2 Clc1cccc(c1)[*:1] CCOC(=O)c1c(NC(=O)C(=O)NN=C[*:1])sc2C[C@@H](C)CCc21
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)sc2c1CC[C@H](C)C2 CCOC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)C(=O)N/N=C/c1cccc(Cl)c1)c2[*:1]
Cc1ccc(C[NH+](C)Cc2ncoc2C(C)C)o1 CC(C)[*:1] Cc1ccc(C[NH+](C)Cc2ncoc2[*:1])o1
Cc1ccc(C[NH+](C)Cc2ncoc2C(C)C)o1 Cc1ccc(o1)[*:1] CC(C)c1ocnc1C[NH+](C)C[*:1]
CCN[C@]1(C#N)CCC[C@@H](N(C)CCS(C)(=O)=O)C1 CCN[*:1] CN(CCS(C)(=O)=O)[C@@H]1CCC[C@@](C#N)(C1)[*:1]
CCN[C@]1(C#N)CCC[C@@H](N(C)CCS(C)(=O)=O)C1 CS(=O)(=O)CC[*:1] CCN[C@]1(C#N)CCC[C@H](C1)N(C)[*:1]
CCN[C@]1(C#N)CCC[C@@H](N(C)CCS(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCN[C@]1(C#N)CCC[C@H](C1)N(C)CC[*:1]
CCN[C@]1(C#N)CCC[C@@H](N(C)CCS(C)(=O)=O)C1 CS(=O)(=O)C[*:1] CCN[C@]1(C#N)CCC[C@H](C1)N(C)C[*:1]
COc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4SC)CC3)o2)cc1 CSc1ccccc1[*:1] COc1ccc(cc1)-c1nnc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])o1
COc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4SC)CC3)o2)cc1 COc1ccc(cc1)[*:1] CSc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1nnc(o1)[*:1]
Cc1c[nH]nc1[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C1 Cc1c[nH]nc1[*:1] O=S(=O)(N1CCOCC1)N1CC[C@H](C1)[*:1]
CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cs1 CCNC(=O)[*:1] O=S(=O)(c1csc(c1)[*:1])N1CCN(CC1)c1ccc(F)cc1
CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cs1 Fc1ccc(cc1)[*:1] CCNC(=O)c1cc(cs1)S(=O)(=O)N1CCN(CC1)[*:1]
COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(Cl)cc3)CO4)C2=O)c1OC Clc1ccc(cc1)[*:1] COc1cccc(/C=C2\Oc3c(ccc4OCN(Cc43)C[*:1])C2=O)c1OC
COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(Cl)cc3)CO4)C2=O)c1OC Clc1ccc(cc1)C[*:1] COc1cccc(/C=C2\Oc3c(ccc4OCN(Cc43)[*:1])C2=O)c1OC
COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccc(Cl)cc3)CO4)C2=O)c1OC COc1cccc(c1OC)[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(Cc3ccc(Cl)cc3)Cc12
CCC(C)(C)NC(=O)C[NH2+]CCOC COCC[*:1] CCC(C)(C)NC(=O)C[NH2+][*:1]
CCC(C)(C)NC(=O)C[NH2+]CCOC COC[*:1] CCC(C)(C)NC(=O)C[NH2+]C[*:1]
NC(=O)[C@H]1COCCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] NC(=O)[C@H]1COCCN1C(=O)c1cnn(c1)[*:1]
NC(=O)[C@H]1COCCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1 NC(=O)[*:1] O=C(c1cnn(c1)-c1ccc(Cl)cc1)N1CCOC[C@@H]1[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 CC[C@H](C)[*:1] O=C(N[C@H](C(=O)N1CCS(=O)(=O)CC1)[*:1])c1ccccc1
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)[*:1])C(=O)N1CCS(=O)(=O)CC1
CCCn1nccc1NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1 CCCn1nccc1[*:1] Cc1cc(cc(C)c1OCc1cccnc1)C(=O)N[*:1]
CCCn1nccc1NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1 c1cncc(c1)CO[*:1] CCCn1nccc1NC(=O)c1cc(C)c(c(C)c1)[*:1]
CCCn1nccc1NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1 CCC[*:1] Cc1cc(cc(C)c1OCc1cccnc1)C(=O)Nc1ccnn1[*:1]
CCCn1nccc1NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1 c1cncc(c1)[*:1] CCCn1nccc1NC(=O)c1cc(C)c(OC[*:1])c(C)c1
CCCn1nccc1NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1 c1cncc(c1)C[*:1] CCCn1nccc1NC(=O)c1cc(C)c(O[*:1])c(C)c1
O=C(c1csc(NS(=O)(=O)c2ccccc2)n1)N1CCc2ccccc21 c1ccc(cc1)[*:1] O=C(c1csc(n1)NS(=O)(=O)[*:1])N1CCc2ccccc21
Cc1ccc(SC2(CNC(=O)c3ccc(=O)n(C)c3)CCCC2)cc1 Cn1cc(ccc1=O)[*:1] Cc1ccc(cc1)SC1(CCCC1)CNC(=O)[*:1]
Cc1ccc(SC2(CNC(=O)c3ccc(=O)n(C)c3)CCCC2)cc1 Cc1ccc(cc1)[*:1] Cn1cc(ccc1=O)C(=O)NCC1(CCCC1)S[*:1]
Cc1ccc(SC2(CNC(=O)c3ccc(=O)n(C)c3)CCCC2)cc1 Cc1ccc(cc1)S[*:1] Cn1cc(ccc1=O)C(=O)NCC1(CCCC1)[*:1]
CCC(C)(C)OCc1cc(F)cc(Br)c1 CCC(C)(C)[*:1] Fc1cc(Br)cc(c1)CO[*:1]
COc1ccc2ccccc2c1CNC1CC[NH+](CCN(C)C)CC1 CN(C)[*:1] COc1ccc2ccccc2c1CNC1CC[NH+](CC1)CC[*:1]
COc1ccc2ccccc2c1CNC1CC[NH+](CCN(C)C)CC1 CN(C)C[*:1] COc1ccc2ccccc2c1CNC1CC[NH+](CC1)C[*:1]
CC[C@H]([NH3+])[C@H](c1cccs1)N1CCO[C@H](C#N)C1 c1csc(c1)[*:1] CC[C@H]([NH3+])[C@H](N1CCO[C@H](C#N)C1)[*:1]
COCc1cccc(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)c1 C1CCC(C1)[*:1] COCc1cccc(c1)C(=O)N[C@H]1CCCC[C@H]1O[*:1]
COCc1cccc(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)c1 C1CCC(C1)O[*:1] COCc1cccc(c1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
COCc1cccc(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)c1 COC[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)c1cccc(c1)[*:1]
Cc1ccc(/C=C/C(=O)NC[C@@H](O)c2ccc(Cl)cc2)o1 Cc1ccc(o1)[*:1] O=C(C=C[*:1])NC[C@@H](O)c1ccc(Cl)cc1
Cc1ccc(/C=C/C(=O)NC[C@@H](O)c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] Cc1ccc(/C=C/C(=O)NC[C@@H](O)[*:1])o1
COC(C)(C)c1noc(-c2ccc3nc(N)sc3c2)n1 COC(C)(C)[*:1] Nc1nc2ccc(cc2s1)-c1nc(no1)[*:1]
CCCC(=O)N(Cc1ccco1)c1nc2ccc(F)cc2s1 c1coc(c1)C[*:1] CCCC(=O)N(c1nc2ccc(F)cc2s1)[*:1]
CCCC(=O)N(Cc1ccco1)c1nc2ccc(F)cc2s1 CCC[*:1] O=C(N(Cc1ccco1)c1nc2ccc(F)cc2s1)[*:1]
CCCC(=O)N(Cc1ccco1)c1nc2ccc(F)cc2s1 c1coc(c1)[*:1] CCCC(=O)N(C[*:1])c1nc2ccc(F)cc2s1
N#Cc1ccc(Nc2cccc(Cn3cccn3)c2)nc1 c1cnn(c1)C[*:1] N#Cc1ccc(nc1)Nc1cccc(c1)[*:1]
N#Cc1ccc(Nc2cccc(Cn3cccn3)c2)nc1 c1cnn(c1)[*:1] N#Cc1ccc(nc1)Nc1cccc(c1)C[*:1]
Cc1c(NCC2([NH+](C)CCO)CCCCC2)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])NCC1(CCCCC1)[NH+](C)CCO
Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)[C@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2
CC(=O)N1CCC(CCC(=O)N2CCN(c3nc(C)cs3)CC2)CC1 Cc1csc(n1)[*:1] CC(=O)N1CCC(CCC(=O)N2CCN(CC2)[*:1])CC1
C=CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2cc(F)cc(F)c21 C=CC[*:1] O=C(CCCS(=O)(=O)c1ccccc1)/N=c1\sc2cc(F)cc(F)c2n1[*:1]
C=CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2cc(F)cc(F)c21 c1ccc(cc1)[*:1] C=CCn1/c(=N/C(=O)CCCS(=O)(=O)[*:1])sc2cc(F)cc(F)c21
C=CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccccc2)sc2cc(F)cc(F)c21 O=S(=O)(c1ccccc1)[*:1] C=CCn1/c(=N/C(=O)CCC[*:1])sc2cc(F)cc(F)c21
CCC[NH+]1CCC(N(C)Cc2ccc(-n3cncn3)cc2)CC1 c1ncn(n1)[*:1] CCC[NH+]1CCC(CC1)N(C)Cc1ccc(cc1)[*:1]
CCC[NH+]1CCC(N(C)Cc2ccc(-n3cncn3)cc2)CC1 CCC[*:1] CN(Cc1ccc(cc1)-n1cncn1)C1CC[NH+](CC1)[*:1]
CC[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)Cc1ccc(Cl)cc1)[*:1]
O=C([O-])CCCC(=O)NCc1ccco1 O=C([O-])[*:1] O=C(CCC[*:1])NCc1ccco1
O=C([O-])CCCC(=O)NCc1ccco1 c1coc(c1)[*:1] O=C([O-])CCCC(=O)NC[*:1]
O=C([O-])CCCC(=O)NCc1ccco1 O=C([O-])C[*:1] O=C(CC[*:1])NCc1ccco1
O=C([O-])CCCC(=O)NCc1ccco1 O=C([O-])CC[*:1] O=C(C[*:1])NCc1ccco1
CN(C)C(=O)N(CCC[NH3+])C1CCCCC1 [NH3+]CCC[*:1] CN(C)C(=O)N(C1CCCCC1)[*:1]
CCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2ccc(C)cc2)CC3)C1 Cc1ccc(cc1)[*:1] CCCC(=O)N1CCC[C@H](C1)c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
CCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2ccc(C)cc2)CC3)C1 CCC[*:1] Cc1ccc(cc1)C(=O)N1CCc2nc([nH]c(=O)c2C1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)N1CCC[C@@H]1[*:1]
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 c1cc(n[nH]1)[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C1 CN(C)C(=O)C[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C1 CN(C)C(=O)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)C(=O)Nc1ccc(cc1)C[*:1]
O=C(Nc1nonc1N1C(=O)c2ccccc2C1=O)c1ccco1 c1coc(c1)[*:1] O=C1c2ccccc2C(=O)N1c1nonc1NC(=O)[*:1]
O=C(Nc1nonc1N1C(=O)c2ccccc2C1=O)c1ccco1 O=C(N[*:1])c1ccco1 O=C1c2ccccc2C(=O)N1c1nonc1[*:1]
COCCCC(=O)N[C@H](C)c1cccc(C#CCCO)c1 COC[*:1] C[C@@H](NC(=O)CC[*:1])c1cccc(C#CCCO)c1
COCCCC(=O)N[C@H](C)c1cccc(C#CCCO)c1 COCC[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(C#CCCO)c1
COCCCC(=O)N[C@H](C)c1cccc(C#CCCO)c1 OCCC#C[*:1] COCCCC(=O)N[C@H](C)c1cccc(c1)[*:1]
COCCCC(=O)N[C@H](C)c1cccc(C#CCCO)c1 COCCC[*:1] C[C@@H](NC(=O)[*:1])c1cccc(C#CCCO)c1
COCCCC(=O)N[C@H](C)c1cccc(C#CCCO)c1 OCC[*:1] COCCCC(=O)N[C@H](C)c1cccc(C#C[*:1])c1
Cc1sc2ncn3nc(Cn4cc([N+](=O)[O-])cn4)nc3c2c1C O=[N+]([O-])[*:1] Cc1sc2ncn3nc(Cn4cc(cn4)[*:1])nc3c2c1C
O=C(c1cc[n+]([O-])cc1)N1CCC(Cc2ccccc2)CC1 [O-][n+]1ccc(cc1)[*:1] O=C(N1CCC(CC1)Cc1ccccc1)[*:1]
O=C(c1cc[n+]([O-])cc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc[n+]([O-])cc1)N1CCC(CC1)C[*:1]
O=C(c1cc[n+]([O-])cc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cc[n+]([O-])cc1)N1CCC(CC1)[*:1]
CCc1cnc(CCNC(=O)Cn2cc(C)c3ccccc32)s1 CCc1cnc(s1)[*:1] Cc1cn(CC(=O)NCC[*:1])c2ccccc12
CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)c1 CC(=O)N[*:1] O=C(/C=C/c1ccc(O)c(Cl)c1)c1cccc(c1)[*:1]
Cc1cccc2[nH]cc(CCNC(=O)CCC(F)(F)F)c12 FC(F)(F)C[*:1] Cc1cccc2[nH]cc(CCNC(=O)C[*:1])c12
Cc1cccc2[nH]cc(CCNC(=O)CCC(F)(F)F)c12 FC(F)(F)CC[*:1] Cc1cccc2[nH]cc(CCNC(=O)[*:1])c12
Cc1cccc2[nH]cc(CCNC(=O)CCC(F)(F)F)c12 FC(F)(F)[*:1] Cc1cccc2[nH]cc(CCNC(=O)CC[*:1])c12
CCC[NH2+][C@H](C)c1ccc(OC2CCCC2)c(F)c1 CCC[*:1] C[C@@H]([NH2+][*:1])c1ccc(OC2CCCC2)c(F)c1
CCC[NH2+][C@H](C)c1ccc(OC2CCCC2)c(F)c1 C1CCC(C1)[*:1] CCC[NH2+][C@H](C)c1ccc(O[*:1])c(F)c1
CCC[NH2+][C@H](C)c1ccc(OC2CCCC2)c(F)c1 C1CCC(C1)O[*:1] CCC[NH2+][C@H](C)c1ccc(c(F)c1)[*:1]
CN1CCCN(C(=O)c2cc(C#N)cs2)c2cc(F)ccc21 N#Cc1csc(c1)[*:1] CN1CCCN(C(=O)[*:1])c2cc(F)ccc21
CC(C)OCCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 CC(C)[*:1] CN(C)C(=O)c1cc(ccc1Cl)NC(=O)CCO[*:1]
CC(C)OCCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC(C)OCCC(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(C)OCCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 CC(C)OCC[*:1] CN(C)C(=O)c1cc(ccc1Cl)NC(=O)[*:1]
CC(C)OCCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 CC(C)OC[*:1] CN(C)C(=O)c1cc(ccc1Cl)NC(=O)C[*:1]
CC(C)OCCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 CC(C)O[*:1] CN(C)C(=O)c1cc(ccc1Cl)NC(=O)CC[*:1]
CCN(Cc1cccc(C)c1)C(=O)CCOC1CCOCC1 C1CC(CCO1)[*:1] CCN(Cc1cccc(C)c1)C(=O)CCO[*:1]
CCN(Cc1cccc(C)c1)C(=O)CCOC1CCOCC1 Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)CCOC1CCOCC1
CCN(Cc1cccc(C)c1)C(=O)CCOC1CCOCC1 C1CC(CCO1)O[*:1] CCN(Cc1cccc(C)c1)C(=O)CC[*:1]
Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](C[C@H]3C=c4cccc(C)c4=[NH+]C3=O)C2)cc1 O=C([O-])CC[*:1] Cc1ccc(cc1)C1C[C@@H](C[C@H]2C=c3cccc(C)c3=[NH+]C2=O)N(N=1)C(=O)[*:1]
Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](C[C@H]3C=c4cccc(C)c4=[NH+]C3=O)C2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)C1C[C@@H](C[C@H]2C=c3cccc(C)c3=[NH+]C2=O)N(N=1)C(=O)CC[*:1]
Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](C[C@H]3C=c4cccc(C)c4=[NH+]C3=O)C2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc2=C[C@H](C[C@@H]3CC(=NN3C(=O)CCC(=O)[O-])[*:1])C(=O)[NH+]=c12
Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](C[C@H]3C=c4cccc(C)c4=[NH+]C3=O)C2)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)C1C[C@@H](C[C@H]2C=c3cccc(C)c3=[NH+]C2=O)N(N=1)C(=O)C[*:1]
Cc1cc(C)cc(CCC(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)c1 Cc1cc(C)cc(c1)[*:1] CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(CC2)C(=O)CC[*:1]
Cc1cc(C)cc(CCC(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)CCC(=O)N1CCC2(CC1)[C@H](CC(=O)N2C)[*:1]
Cc1cc(C)cc(CCC(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)c1 Cc1cc(C)cc(c1)C[*:1] CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(CC2)C(=O)C[*:1]
Cc1cccc(NC(=O)c2nc3ccccc3nc2N2CCCCC2)c1C C1CCN(CC1)[*:1] Cc1cccc(NC(=O)c2nc3ccccc3nc2[*:1])c1C
Cc1cccc(NC(=O)c2nc3ccccc3nc2N2CCCCC2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])c1nc2ccccc2nc1N1CCCCC1
CCC(CC)N(C)C(=O)c1ccc(S(=O)(=O)NC)cc1 CNS(=O)(=O)[*:1] CCC(CC)N(C)C(=O)c1ccc(cc1)[*:1]
CCC(CC)N(C)C(=O)c1ccc(S(=O)(=O)NC)cc1 CCC(CC)[*:1] CNS(=O)(=O)c1ccc(cc1)C(=O)N(C)[*:1]
CCCCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)c2ccccc12 CCCCO[*:1] C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(c2ccccc12)[*:1]
CCCCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)c2ccccc12 CCC[*:1] C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(OC[*:1])c2ccccc12
CCCCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)c2ccccc12 CCCC[*:1] C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(O[*:1])c2ccccc12
CCOC(=O)Cn1c([C@H]2CC(=O)N(C3CC3)C2)nc2ccccc21 CCOC(=O)C[*:1] O=C1C[C@@H](CN1C1CC1)c1nc2ccccc2n1[*:1]
CCOC(=O)Cn1c([C@H]2CC(=O)N(C3CC3)C2)nc2ccccc21 CCOC(=O)[*:1] O=C1C[C@@H](CN1C1CC1)c1nc2ccccc2n1C[*:1]
CCOC(=O)Cn1c([C@H]2CC(=O)N(C3CC3)C2)nc2ccccc21 C1CC1[*:1] CCOC(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(cc(=O)[nH]c2=O)N1 O=[N+]([O-])c1cccc(c1)[*:1] CC1Nc2cc(=O)[nH]c(=O)n2[C@@H](C=1C(=O)OC(C)C)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(cc(=O)[nH]c2=O)N1 O=[N+]([O-])[*:1] CC1Nc2cc(=O)[nH]c(=O)n2[C@H](C=1C(=O)OC(C)C)c1cccc(c1)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(cc(=O)[nH]c2=O)N1 CC(C)[*:1] CC1Nc2cc(=O)[nH]c(=O)n2[C@H](C=1C(=O)O[*:1])c1cccc(c1)[N+](=O)[O-]
CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(cc(=O)[nH]c2=O)N1 CC(C)OC(=O)[*:1] CC1Nc2cc(=O)[nH]c(=O)n2[C@H](C=1[*:1])c1cccc(c1)[N+](=O)[O-]
COCCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccc(C)cc3)c12 COC[*:1] Cc1ccc(cc1)-c1noc2nc(cc(C(=O)NC[*:1])c12)-c1cccs1
COCCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccc(C)cc3)c12 Cc1ccc(cc1)[*:1] COCCNC(=O)c1cc(nc2onc(c12)[*:1])-c1cccs1
COCCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccc(C)cc3)c12 COCCNC(=O)[*:1] Cc1ccc(cc1)-c1noc2nc(cc(c12)[*:1])-c1cccs1
COCCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccc(C)cc3)c12 c1csc(c1)[*:1] COCCNC(=O)c1cc(nc2onc(-c3ccc(C)cc3)c12)[*:1]
COCCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccc(C)cc3)c12 COCC[*:1] Cc1ccc(cc1)-c1noc2nc(cc(C(=O)N[*:1])c12)-c1cccs1
Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cccc(Br)c2)CC1 Brc1cccc(c1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cccc(Br)c2)CC1 Brc1cccc(c1)C[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cccc(Br)c2)CC1 Cc1noc(C)c1[*:1] O=S(=O)(N1CCN(CC1)Cc1cccc(Br)c1)[*:1]
C#CCN1CCN(C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)CC1 C#CC[*:1] C[C@@H](CN1CCN(CC1)c1ccccc1)NC(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] C#CCN1CCN(CC1)C(=O)N[C@@H](C)CN1CCN(CC1)[*:1]
CN(Cc1ccccc1F)C(=O)[C@H]1COc2ccc(F)cc2C1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)[C@H]1COc2ccc(F)cc2C1
C[C@H]1CCN(C(=O)NCCN2CCN(C(=O)C3CCCC3)CC2)C[C@H]1O C1CCC(C1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCCN1CCN(CC1)C(=O)[*:1]
Cc1cc(F)cc(C(=O)Oc2cccc(C(N)=O)c2)c1 NC(=O)[*:1] Cc1cc(F)cc(c1)C(=O)Oc1cccc(c1)[*:1]
COc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4F)c2=O)C(=O)CC(C)(C)C3)cc1 COc1ccc(cc1)[*:1] CC1(C)CC(=O)c2cc(C(=O)Nc3ccccc3F)c(=O)n(c2C1)[*:1]
COc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4F)c2=O)C(=O)CC(C)(C)C3)cc1 O=C(Nc1ccccc1F)[*:1] COc1ccc(cc1)-n1c2CC(C)(C)CC(=O)c2cc(c1=O)[*:1]
COc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4F)c2=O)C(=O)CC(C)(C)C3)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-n1c2CC(C)(C)CC(=O)c2cc(C(=O)N[*:1])c1=O
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1c(F)cccc1Cl C1CN(CCO1)[*:1] Cc1nc(sc1C(=O)NNC(=O)c1c(F)cccc1Cl)[*:1]
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] Cc1nc(sc1C(=O)NNC(=O)[*:1])N1CCOCC1
O=C(Cn1ccccc1=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 Fc1ccc(cc1)O[*:1] O=C(Cn1ccccc1=O)Nc1ccc(c2ccncc12)[*:1]
O=C(Cn1ccccc1=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 Fc1ccc(cc1)[*:1] O=C(Cn1ccccc1=O)Nc1ccc(O[*:1])c2ccncc12
O=C(Cn1ccccc1=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 O=c1ccccn1C[*:1] O=C(Nc1ccc(Oc2ccc(F)cc2)c2ccncc12)[*:1]
O=C(Cn1ccccc1=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 O=c1ccccn1[*:1] O=C(C[*:1])Nc1ccc(Oc2ccc(F)cc2)c2ccncc12
Fc1ccccc1-c1n[nH]c(SCCCc2nc(-c3ccccc3)no2)n1 c1ccc(cc1)[*:1] Fc1ccccc1-c1n[nH]c(n1)SCCCc1nc(no1)[*:1]
Fc1ccccc1-c1n[nH]c(SCCCc2nc(-c3ccccc3)no2)n1 Fc1ccccc1[*:1] c1ccc(cc1)-c1noc(CCCSc2nc(n[nH]2)[*:1])n1
COc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(OC)cc1C O=C([O-])[*:1] COc1cc(c(cc1C)OC)S(=O)(=O)Nc1cccc(c1)[*:1]
Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccccc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1[C@H](c2ccccc2)N(C(=O)CN1c1ccccc1F)[*:1]
Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccccc2)c(C)c1 Fc1ccccc1[*:1] Cc1ccc(c(C)c1)N1C(=O)CN(C(=O)[C@@H]1c1ccccc1)[*:1]
Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)N1C(=O)CN(C(=O)[C@H]1[*:1])c1ccccc1F
CC(C)c1n[nH]c(=S)n1CCNC(=O)C1(c2cccc(Cl)c2)CC1 CC(C)[*:1] O=C(NCCn1c(n[nH]c1=S)[*:1])C1(CC1)c1cccc(Cl)c1
CC(C)c1n[nH]c(=S)n1CCNC(=O)C1(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)C1(CC1)[*:1]
Cc1ccc2c([O-])c(C(=O)NCCCc3cn[nH]c3C)cnc2n1 Cc1[nH]ncc1CC[*:1] Cc1ccc2c([O-])c(cnc2n1)C(=O)NC[*:1]
Cc1ccc2c([O-])c(C(=O)NCCCc3cn[nH]c3C)cnc2n1 Cc1[nH]ncc1[*:1] Cc1ccc2c([O-])c(cnc2n1)C(=O)NCCC[*:1]
Cc1ccc2c([O-])c(C(=O)NCCCc3cn[nH]c3C)cnc2n1 Cc1[nH]ncc1C[*:1] Cc1ccc2c([O-])c(cnc2n1)C(=O)NCC[*:1]
Cc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 Cc1ccccc1C[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1ccccc1CNC(=O)[C@@H]1CCCN(C1)C(=O)O[*:1]
Cc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 Cc1ccccc1[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1cc(CNC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NC[*:1])Nc1cccc(c1)CC[NH+]1CCCC1
Cc1cc(CNC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c(C)o1 Cc1cc(C[*:1])c(C)o1 O=C(Nc1cccc(c1)CC[NH+]1CCCC1)N[*:1]
NNC(=O)c1ccccc1CSC[C@@H](O)CO NNC(=O)[*:1] OC[C@H](O)CSCc1ccccc1[*:1]
NNC(=O)c1ccccc1CSC[C@@H](O)CO OC[C@H](O)[*:1] NNC(=O)c1ccccc1CSC[*:1]
NNC(=O)c1ccccc1CSC[C@@H](O)CO OC[C@H](O)C[*:1] NNC(=O)c1ccccc1CS[*:1]
C[NH+](C)C(C)(C)CNC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1[*:1] C[NH+](C)C(C)(C)CNC(=O)N[C@@H](C[*:1])c1ccccc1
C[NH+](C)C(C)(C)CNC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)C(C)(C)CNC(=O)N[C@@H](CN1CCCC1=O)[*:1]
C[NH+](C)C(C)(C)CNC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1C[*:1] C[NH+](C)C(C)(C)CNC(=O)N[C@@H](c1ccccc1)[*:1]
O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@@H](c2ncc[nH]2)C1 c1c[nH]c(n1)[*:1] O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@@H](C1)[*:1]
O=c1[nH]c(-c2cccs2)nc2sc3c(c12)CCCS3 c1csc(c1)[*:1] O=c1[nH]c(nc2sc3SCCCc3c12)[*:1]
CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1Br CCO[*:1] O=C(Nc1cccc(Cl)c1)c1ccc(c(Br)c1)[*:1]
CC1(C)CN(C(=O)C/C(N)=N/O)CCO1 N/C(=N\O)[*:1] CC1(C)CN(CCO1)C(=O)C[*:1]
CC1(C)CN(C(=O)C/C(N)=N/O)CCO1 N/C(C[*:1])=N\O CC1(C)CN(CCO1)C(=O)[*:1]
COc1cccc(SCC(=O)Nc2cccc(CC(F)(F)F)c2)c1 FC(F)(F)C[*:1] COc1cccc(c1)SCC(=O)Nc1cccc(c1)[*:1]
COc1cccc(SCC(=O)Nc2cccc(CC(F)(F)F)c2)c1 COc1cccc(c1)[*:1] O=C(CS[*:1])Nc1cccc(c1)CC(F)(F)F
COc1cccc(SCC(=O)Nc2cccc(CC(F)(F)F)c2)c1 FC(F)(F)[*:1] COc1cccc(c1)SCC(=O)Nc1cccc(c1)C[*:1]
C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cc[nH]n1 c1cc(n[nH]1)[*:1] C[C@@H]1CN(C)c2ccccc2CN1C(=O)[*:1]
CC(=O)N1CCOc2cc(S(=O)(=O)Nc3ccccc3C)c(C)cc21 Cc1ccccc1[*:1] CC(=O)N1CCOc2cc(c(C)cc21)S(=O)(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)Cc2c(C)nn(C)c2Cl)cc1Cl Cc1nn(C)c(Cl)c1[*:1] Cc1ccc(cc1Cl)NC(=O)[C@@H](C)[S@@](=O)C[*:1]
Cc1ccc(NC(=O)[C@@H](C)[S@@](=O)Cc2c(C)nn(C)c2Cl)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1nn(C)c(Cl)c1C[S@](=O)[C@H](C)C(=O)N[*:1]
CC(C)(C)c1csc(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)n1 O=C([O-])[*:1] CC(C)(C)c1csc(C[NH2+][C@H]2CCC[C@@H](C2)[*:1])n1
CC(C)(C)c1csc(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)n1 CC(C)(C)[*:1] O=C([O-])[C@@H]1CCC[C@@H](C1)[NH2+]Cc1nc(cs1)[*:1]
CCOc1cc(/C=C(\C#N)C(=O)NC)ccc1OCC(C)C CCO[*:1] CNC(=O)/C(C#N)=C/c1ccc(OCC(C)C)c(c1)[*:1]
CCOc1cc(/C=C(\C#N)C(=O)NC)ccc1OCC(C)C CC(C)CO[*:1] CCOc1cc(/C=C(\C#N)C(=O)NC)ccc1[*:1]
CCOc1cc(/C=C(\C#N)C(=O)NC)ccc1OCC(C)C CC(C)[*:1] CCOc1cc(/C=C(\C#N)C(=O)NC)ccc1OC[*:1]
CCOc1cc(/C=C(\C#N)C(=O)NC)ccc1OCC(C)C CC(C)C[*:1] CCOc1cc(/C=C(\C#N)C(=O)NC)ccc1O[*:1]
CCOc1cc(/C=C(\C#N)C(=O)NC)ccc1OCC(C)C CNC(=O)[*:1] CCOc1cc(C=C(C#N)[*:1])ccc1OCC(C)C
CNC(=O)c1ccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CC[C@@](O)(C1)C(F)(F)F
CNC(=O)c1ccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 FC(F)(F)[*:1] CNC(=O)c1ccc(cc1)NC(=O)N1CC[C@](O)(C1)[*:1]
C[C@H](CCCO)NC(=O)Nc1ccccc1Oc1cccc(F)c1 OCC[*:1] C[C@H](C[*:1])NC(=O)Nc1ccccc1Oc1cccc(F)c1
C[C@H](CCCO)NC(=O)Nc1ccccc1Oc1cccc(F)c1 OCCC[*:1] C[C@H](NC(=O)Nc1ccccc1Oc1cccc(F)c1)[*:1]
C[C@H](CCCO)NC(=O)Nc1ccccc1Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] C[C@H](CCCO)NC(=O)Nc1ccccc1[*:1]
C[C@H](CCCO)NC(=O)Nc1ccccc1Oc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CCCO)NC(=O)Nc1ccccc1O[*:1]
C[C@@H]1CC(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CC(C)CC[NH+]1CCN([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 CC(C)CC[*:1] C[C@H]1CCC[C@@H](NC(=O)[C@@H](C)N2CC[NH+](CC2)[*:1])[C@@H]1C
CC(C)CC[NH+]1CCN([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 CC(C)[*:1] C[C@H]1CCC[C@@H](NC(=O)[C@@H](C)N2CC[NH+](CC2)CC[*:1])[C@@H]1C
CC(C)CC[NH+]1CCN([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 CC(C)C[*:1] C[C@H]1CCC[C@@H](NC(=O)[C@@H](C)N2CC[NH+](CC2)C[*:1])[C@@H]1C
CC(C)CC[NH+]1CCN([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 C[C@H]1CCC[C@H]([C@@H]1C)[*:1] CC(C)CC[NH+]1CCN(CC1)[C@H](C)C(=O)N[*:1]
Cc1nc(-c2cccc(C[NH2+][C@@H]3CCCc4c3cnn4C)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(c1)[*:1]
COC(=O)CCCNC(=O)c1ccc2c(c1)OCCCO2 COC(=O)C[*:1] O=C(NCC[*:1])c1ccc2OCCCOc2c1
COC(=O)CCCNC(=O)c1ccc2c(c1)OCCCO2 COC(=O)[*:1] O=C(NCCC[*:1])c1ccc2OCCCOc2c1
COC(=O)CCCNC(=O)c1ccc2c(c1)OCCCO2 COC(=O)CCC[*:1] O=C(N[*:1])c1ccc2OCCCOc2c1
COC(=O)CCCNC(=O)c1ccc2c(c1)OCCCO2 COC(=O)CC[*:1] O=C(NC[*:1])c1ccc2OCCCOc2c1
Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2cnccn2)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1cnccn1)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2cnccn2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(-c2cnccn2)n1[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2cnccn2)cc1 c1cnc(cn1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)Nc1cc(C)ccc1C
CCCS(=O)(=O)Nc1ccc(NC(=O)C(C)C)cc1 CCC[*:1] CC(C)C(=O)Nc1ccc(cc1)NS(=O)(=O)[*:1]
CCCS(=O)(=O)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] CCCS(=O)(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCCS(=O)(=O)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] CCCS(=O)(=O)Nc1ccc(cc1)[*:1]
NC(=O)c1cccc(CNC(=O)c2ccc(Oc3ccccc3)o2)c1 c1ccc(cc1)O[*:1] NC(=O)c1cccc(c1)CNC(=O)c1ccc(o1)[*:1]
NC(=O)c1cccc(CNC(=O)c2ccc(Oc3ccccc3)o2)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])c1ccc(Oc2ccccc2)o1
NC(=O)c1cccc(CNC(=O)c2ccc(Oc3ccccc3)o2)c1 c1ccc(cc1)[*:1] NC(=O)c1cccc(c1)CNC(=O)c1ccc(O[*:1])o1
CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3Cl)nn2C)c1 Clc1ccccc1[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1cc(nn1C)[*:1]
CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3Cl)nn2C)c1 CC(=O)N[*:1] Cn1nc(cc1C(=O)Nc1cccc(c1)[*:1])-c1ccccc1Cl
CN1C[C@H](C(=O)N(C)Cc2cc(-c3ccccc3)no2)NC1=O c1ccc(cc1)[*:1] CN1C[C@@H](NC1=O)C(=O)N(C)Cc1cc(no1)[*:1]
O=C(Nc1ccc(CCC(=O)N2CCCCC2)cc1)c1cc2occ(-c3cccnc3)c2[nH]1 O=C(CC[*:1])N1CCCCC1 O=C(Nc1ccc(cc1)[*:1])c1cc2occ(-c3cccnc3)c2[nH]1
O=C(Nc1ccc(CCC(=O)N2CCCCC2)cc1)c1cc2occ(-c3cccnc3)c2[nH]1 c1cncc(c1)[*:1] O=C(Nc1ccc(cc1)CCC(=O)N1CCCCC1)c1cc2occ(c2[nH]1)[*:1]
O=C(Nc1ccc(CCC(=O)N2CCCCC2)cc1)c1cc2occ(-c3cccnc3)c2[nH]1 O=C(N1CCCCC1)[*:1] O=C(Nc1ccc(cc1)CC[*:1])c1cc2occ(-c3cccnc3)c2[nH]1
O=C(Nc1ccc(CCC(=O)N2CCCCC2)cc1)c1cc2occ(-c3cccnc3)c2[nH]1 O=C(C[*:1])N1CCCCC1 O=C(Nc1ccc(cc1)C[*:1])c1cc2occ(-c3cccnc3)c2[nH]1
CC[C@H]1CCC[C@H](OCc2ccc(C(=O)OC)cn2)C1 COC(=O)[*:1] CC[C@H]1CCC[C@@H](C1)OCc1ccc(cn1)[*:1]
COc1ccccc1CCNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O COc1ccccc1[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)NCC[*:1]
COc1ccccc1CCNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O Fc1ccccc1[*:1] COc1ccccc1CCNC(=O)c1nn(c(C)cc1=O)[*:1]
COc1ccccc1CCNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O COc1ccccc1C[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)NC[*:1]
CC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 CC(=O)C[*:1] O=[N+]([O-])c1cccc(c1)-c1nnc(o1)S[*:1]
CC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 CC(=O)CS[*:1] O=[N+]([O-])c1cccc(c1)-c1nnc(o1)[*:1]
CC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] CC(=O)CSc1nnc(o1)-c1cccc(c1)[*:1]
CC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 CC(=O)[*:1] O=[N+]([O-])c1cccc(c1)-c1nnc(o1)SC[*:1]
COc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] C[C@H](C(=O)NC[*:1])N1CCN(CC1)c1ccccc1
COc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)[C@@H](C)N1CCN(CC1)[*:1]
C[C@@H](CO)NC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H](CO)NC(=O)N[C@@H]1C[C@H](C)N(C1)[*:1]
C[C@@H](CO)NC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 C[C@@H](CO)[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)N[*:1]
COc1cccc([C@H]2C[C@@H]2C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 COc1cccc(c1)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)[C@H]1C[C@@H]1[*:1]
COc1cccc([C@H]2C[C@@H]2C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] COc1cccc(c1)[C@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
Cc1cc([N+](=O)[O-])c2nncn2c1 O=[N+]([O-])[*:1] Cc1cc(c2nncn2c1)[*:1]
C[C@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccnn1C(C)(C)C Cn1cccc1[*:1] C[C@H](CC[*:1])NC(=O)C(=O)Nc1ccnn1C(C)(C)C
C[C@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccnn1C(C)(C)C Cn1cccc1C[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1ccnn1C(C)(C)C
C[C@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccnn1C(C)(C)C Cn1cccc1CC[*:1] C[C@H](NC(=O)C(=O)Nc1ccnn1C(C)(C)C)[*:1]
C[C@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccnn1C(C)(C)C CC(C)(C)[*:1] C[C@H](CCc1cccn1C)NC(=O)C(=O)Nc1ccnn1[*:1]
COc1ccc(NS(=O)(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)cc1 COc1ccc(cc1)[*:1] O=S1(=O)N=C(Nc2ccc(cc2)S(=O)(=O)N[*:1])c2ccccc21
O=C1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC(N/N=C/c2ccccc2)=N1 c1ccc(cc1)[*:1] O=C1C[C@@H](SC(=N1)NN=C[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
O=C1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)SC(N/N=C/c2ccccc2)=N1 Clc1ccc(cc1Cl)[*:1] O=C1C[C@@H](SC(=N1)N/N=C/c1ccccc1)C(=O)N[*:1]
O=[N+]([O-])c1ccccc1/C=N/Nc1nncc(-c2ccccc2)n1 O=[N+]([O-])[*:1] C(=N/Nc1nncc(n1)-c1ccccc1)\c1ccccc1[*:1]
O=[N+]([O-])c1ccccc1/C=N/Nc1nncc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1/C=N/Nc1nncc(n1)[*:1]
COC[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 COC[*:1] C[C@H](NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1)[*:1]
COC[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)[*:1]
COC[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 COC[C@H](C)NC(=O)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCc2cc(ccc21)[*:1]
CCCS(=O)(=O)N1CCC(NC(=O)c2cnc3ccc(C)cn23)CC1 CCC[*:1] Cc1ccc2ncc(C(=O)NC3CCN(CC3)S(=O)(=O)[*:1])n2c1
Cc1n[nH]c2cc(NC(=O)c3cc(-c4ccc5c(c4)CCO5)no3)ccc12 c1cc2OCCc2cc1[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)c1cc(no1)[*:1]
NC(=S)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 NC(=S)NN=C[*:1] c1ccc(cc1)Cn1cc(c2ccccc21)[*:1]
NC(=S)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 c1ccc(cc1)[*:1] NC(=S)N/N=C/c1cn(C[*:1])c2ccccc12
NC(=S)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 c1ccc(cc1)C[*:1] NC(=S)N/N=C/c1cn(c2ccccc12)[*:1]
c1ccc(-c2nnc3n2CCN(Cc2cc4ccccc4s2)CC3)cc1 c1ccc(cc1)[*:1] c1ccc2sc(cc2c1)CN1CCc2nnc(n2CC1)[*:1]
CCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1ccc(F)c(c1)[N+](=O)[O-]
CCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1cccs1 O=[N+]([O-])[*:1] CCn1c(nnc1-c1cccs1)SCC(=O)Nc1ccc(F)c(c1)[*:1]
C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 O=[N+]([O-])[*:1] C[NH+](C)[C@H](CNc1ccc(cc1[*:1])[N+](=O)[O-])C1CC1
C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 O=[N+]([O-])[*:1] C[NH+](C)[C@H](CNc1ccc(cc1[N+](=O)[O-])[*:1])C1CC1
C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 C1CC1[*:1] C[NH+](C)[C@H](CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[*:1]
CC(C)Cn1cc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)C[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1
CC(C)Cn1cc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cn1 CC(C)Cn1cc(cn1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1
CC(C)Cn1cc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cn1 CC(C)C[*:1] O=C(Nc1cnn(c1)[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1
CC(C)Cn1cc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cn1 c1ccc(cc1)[*:1] CC(C)Cn1cc(cn1)NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
C[C@@H]1CCCC[C@H]1OCC(=O)NNc1cc(C#N)cc(Cl)n1 C[C@@H]1CCCC[C@@H]1[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)CO[*:1]
COC(=O)c1ccc(OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c(OC)c1 COC(=O)[*:1] COc1cc(ccc1OC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)[*:1]
COC(=O)c1ccc(OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c(OC)c1 CC(C)=C[*:1] COC(=O)c1ccc(OC(=O)[C@@H]2[C@H](C2(C)C)[*:1])c(c1)OC
CCOc1ccc2nc(NC(=O)Cc3cccc(C)c3)sc2c1 CCO[*:1] Cc1cccc(c1)CC(=O)Nc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(NC(=O)Cc3cccc(C)c3)sc2c1 Cc1cccc(c1)[*:1] CCOc1ccc2nc(NC(=O)C[*:1])sc2c1
C[C@H](CO)[NH2+]Cc1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CO)[NH2+]Cc1cn(C)nc1[*:1]
C=CCOc1c(CN2C[C@H](C)S[C@H](C)C2)c(C)nn1C C=CCO[*:1] Cc1nn(C)c(c1CN1C[C@H](C)S[C@H](C)C1)[*:1]
C=CCOc1c(CN2C[C@H](C)S[C@H](C)C2)c(C)nn1C C=CC[*:1] Cc1nn(C)c(O[*:1])c1CN1C[C@H](C)S[C@H](C)C1
O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C([C@H]1CCCN(C1)c1ncccn1)N1CCN(CC1)[*:1]
O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)c1ncccn1)N1CCN(CC1)C[*:1]
O=C([C@H]1CCCN(c2ncccn2)C1)N1CCN(Cc2ccccc2)CC1 c1cnc(nc1)[*:1] O=C([C@H]1CCCN(C1)[*:1])N1CCN(CC1)Cc1ccccc1
C[C@@H](Cc1cccs1)NC(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 c1csc(c1)C[*:1] C[C@@H](NC(=O)c1cn(Cc2ccc(F)cc2Cl)nn1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 Fc1ccc(c(Cl)c1)[*:1] C[C@@H](Cc1cccs1)NC(=O)c1cn(C[*:1])nn1
C[C@@H](Cc1cccs1)NC(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)c1cn(Cc2ccc(F)cc2Cl)nn1
C[C@@H](Cc1cccs1)NC(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 C[C@@H](Cc1cccs1)[*:1] O=C(N[*:1])c1cn(Cc2ccc(F)cc2Cl)nn1
C[C@@H](Sc1cc2c(cc1Cl)OCCO2)C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] C[C@@H](Sc1cc2OCCOc2cc1Cl)C(=O)Nc1ccc(cc1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 CCS(=O)(=O)[*:1] CN(CC[*:1])C(=O)[C@H]1CC(=O)N(C1)C1CCCCCC1
CCS(=O)(=O)CCN(C)C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 CCS(=O)(=O)C[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(C1)C1CCCCCC1
CCS(=O)(=O)CCN(C)C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 CCS(=O)(=O)CC[*:1] CN(C(=O)[C@H]1CC(=O)N(C1)C1CCCCCC1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 C1CCCC(CC1)[*:1] CCS(=O)(=O)CCN(C)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Fc1cccc(-c2noc(CCc3cnccn3)n2)c1 c1cnc(cn1)[*:1] Fc1cccc(c1)-c1noc(CC[*:1])n1
Cc1cc(Cl)ccc1S(=O)(=O)NCC(=O)NCC(C)C CC(C)[*:1] Cc1cc(Cl)ccc1S(=O)(=O)NCC(=O)NC[*:1]
Cc1cc(Cl)ccc1S(=O)(=O)NCC(=O)NCC(C)C CC(C)C[*:1] Cc1cc(Cl)ccc1S(=O)(=O)NCC(=O)N[*:1]
COC(=O)C1(NC(=O)CCn2c(=O)oc3ccccc32)CCCC1 COC(=O)[*:1] O=C(CCn1c(=O)oc2ccccc21)NC1(CCCC1)[*:1]
CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 c1coc(c1)C[*:1] CCOc1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1[*:1]
CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 CCO[*:1] O=C1c2ccccc2N[C@H](c2ccc(cc2)[*:1])N1Cc1ccco1
CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 c1coc(c1)[*:1] CCOc1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
C[C@H]1C[C@H](NC(=O)N(C)CCOCC2CC2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](NC(=O)N(C)CCOCC2CC2)C(=O)N1[*:1]
C[C@H]1C[C@H](NC(=O)N(C)CCOCC2CC2)C(=O)N1c1ccccc1 C1CC1[*:1] C[C@H]1C[C@H](NC(=O)N(C)CCOC[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@H](NC(=O)N(C)CCOCC2CC2)C(=O)N1c1ccccc1 C1CC1CO[*:1] C[C@H]1C[C@H](NC(=O)N(C)CC[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@H](NC(=O)N(C)CCOCC2CC2)C(=O)N1c1ccccc1 C1CC1COC[*:1] C[C@H]1C[C@H](NC(=O)N(C)C[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@H](NC(=O)N(C)CCOCC2CC2)C(=O)N1c1ccccc1 C1CC1C[*:1] C[C@H]1C[C@H](NC(=O)N(C)CCO[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@H](NC(=O)N(C)CCOCC2CC2)C(=O)N1c1ccccc1 C(C[*:1])OCC1CC1 C[C@H]1C[C@H](NC(=O)N(C)[*:1])C(=O)N1c1ccccc1
COc1ccc(C)cc1[C@@H](C)[C@@](O)(C(=O)[O-])C(C)C O=C([O-])[*:1] COc1ccc(C)cc1[C@@H](C)[C@@](O)(C(C)C)[*:1]
COc1ccc(C)cc1[C@@H](C)[C@@](O)(C(=O)[O-])C(C)C CC(C)[*:1] COc1ccc(C)cc1[C@@H](C)[C@@](O)(C(=O)[O-])[*:1]
NC(=O)c1ccc(C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)C[NH+]1CCN(CC1)C[C@H](O)[*:1]
NC(=O)c1ccc(C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)cc1 NC(=O)[*:1] O[C@@H](CN1CC[NH+](CC1)Cc1ccc(cc1)[*:1])c1ccccc1
NC(=O)c1ccc(C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)cc1 O[C@H](c1ccccc1)[*:1] NC(=O)c1ccc(cc1)C[NH+]1CCN(CC1)C[*:1]
CCc1nn2c(nnc3c(=O)n(-c4nnc(C)[nH]4)ccc32)c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nn2c(nnc3c(=O)n(ccc32)-c2nnc(C)[nH]2)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)c1[*:1]
O=C(OCC(=O)N1CCCC1=O)c1c2c(nc3ccccc13)CCCC2 O=C1CCCN1C(=O)[*:1] O=C(OC[*:1])c1c2CCCCc2nc2ccccc12
CCCC1CN(c2ccc(C(=O)NCC(=O)[O-])cc2)C1 O=C([O-])C[*:1] CCCC1CN(C1)c1ccc(cc1)C(=O)N[*:1]
CCCC1CN(c2ccc(C(=O)NCC(=O)[O-])cc2)C1 CCC[*:1] O=C([O-])CNC(=O)c1ccc(cc1)N1CC(C1)[*:1]
CCCC1CN(c2ccc(C(=O)NCC(=O)[O-])cc2)C1 O=C([O-])[*:1] CCCC1CN(C1)c1ccc(cc1)C(=O)NC[*:1]
CC(C)c1nnc(SC[C@H]2CCCCO2)n1C CC(C)[*:1] Cn1c(nnc1[*:1])SC[C@H]1CCCCO1
COc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)C(=O)N[C@@H](C1CCCC1)[*:1]
COc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1 C1CCC(C1)[*:1] COc1cccc(c1)NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
COc1cccc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1 COc1cccc(c1)[*:1] O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C(=O)N[*:1]
CC[C@@H](CSC)NC(=O)NCC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@H](CSC)NC(=O)NCC1(CC1)[*:1]
CC[C@@H](CSC)NC(=O)NCC1(c2ccccc2)CC1 CSC[*:1] CC[C@@H](NC(=O)NCC1(CC1)c1ccccc1)[*:1]
COc1cc(/C=N/OCC(=O)NC2CCC(C)CC2)cc(Cl)c1OC CC1CCC(CC1)[*:1] COc1cc(/C=N/OCC(=O)N[*:1])cc(Cl)c1OC
Cc1nn(-c2ccccc2)c2sc(C(=O)NCC[NH+](C)C3CCCCC3)cc12 c1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)NCC[NH+](C)C1CCCCC1)[*:1]
COc1cccc(N[C@H](C#N)CC(=O)NC(C)C)c1 CC(C)NC(=O)[*:1] COc1cccc(c1)N[C@H](C#N)C[*:1]
COc1cccc(N[C@H](C#N)CC(=O)NC(C)C)c1 CC(C)[*:1] COc1cccc(c1)N[C@H](C#N)CC(=O)N[*:1]
CC(C)Oc1cccnc1C(=O)Nc1cccn(C)c1=O CC(C)[*:1] Cn1cccc(NC(=O)c2ncccc2O[*:1])c1=O
CC(C)Oc1cccnc1C(=O)Nc1cccn(C)c1=O CC(C)O[*:1] Cn1cccc(NC(=O)c2ncccc2[*:1])c1=O
CC[C@@H](NC(=O)Nc1cc(OC)c(OC)cc1F)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@@H](NC(=O)Nc1cc(OC)c(cc1F)OC)[*:1]
Nc1nccnc1C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 Nc1nccnc1[*:1] O=C(NCc1ccccc1CN1CCN(CC1)c1ccccc1)[*:1]
Nc1nccnc1C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 Nc1nccnc1C(=O)N[*:1] c1ccc(cc1)N1CCN(CC1)Cc1ccccc1C[*:1]
Nc1nccnc1C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Nc1nccnc1C(=O)NCc1ccccc1CN1CCN(CC1)[*:1]
CCc1c(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)nc(C)[nH+]c1C c1nc(cs1)[*:1] CCc1c(nc(C)[nH+]c1C)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
CCc1c(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)nc(C)[nH+]c1C c1nc(cs1)C[*:1] CCc1c(nc(C)[nH+]c1C)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)N[C@@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@H]1[*:1] Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)N[*:1]
C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 N#Cc1ccc(nc1)[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)Nc1cccc(c1)O[*:1]
Cc1ccc(NCc2noc(C3CC3)n2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NCc1noc(n1)C1CC1
Cc1ccc(NCc2noc(C3CC3)n2)cc1C(=O)N(C)C C1CC1[*:1] Cc1ccc(cc1C(=O)N(C)C)NCc1noc(n1)[*:1]
CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 c1ccc(cc1)[*:1] CCCOc1ccc(cc1)-c1nn(cc1C=O)[*:1]
CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 CCC[*:1] O=Cc1cn(nc1-c1ccc(cc1)O[*:1])-c1ccccc1
CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 CCCO[*:1] O=Cc1cn(nc1-c1ccc(cc1)[*:1])-c1ccccc1
Nc1ccc(C(=O)NC[C@@H]2C[C@]23CCc2ccccc23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ccc(cc1[*:1])C(=O)NC[C@@H]1C[C@]12CCc1ccccc12
CCC[NH2+][C@@H](C1CC1)C(C)(C)[NH+](C)C C1CC1[*:1] CCC[NH2+][C@@H](C(C)(C)[NH+](C)C)[*:1]
CCC[NH2+][C@@H](C1CC1)C(C)(C)[NH+](C)C CCC[*:1] C[NH+](C)C(C)(C)[C@@H]([NH2+][*:1])C1CC1
Cc1cccc(NC(=O)CSc2nn3c(=O)c(C)nnc3s2)c1C Cc1cccc(c1C)[*:1] Cc1nnc2sc(nn2c1=O)SCC(=O)N[*:1]
Cc1ocnc1CNC(=O)N(C)Cc1ccc(OC(F)F)cc1 Cc1ocnc1C[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)N[*:1]
Cc1ocnc1CNC(=O)N(C)Cc1ccc(OC(F)F)cc1 FC(F)O[*:1] Cc1ocnc1CNC(=O)N(C)Cc1ccc(cc1)[*:1]
Cc1ocnc1CNC(=O)N(C)Cc1ccc(OC(F)F)cc1 FC(F)[*:1] Cc1ocnc1CNC(=O)N(C)Cc1ccc(cc1)O[*:1]
Cc1ocnc1CNC(=O)N(C)Cc1ccc(OC(F)F)cc1 Cc1ocnc1[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)NC[*:1]
Cc1nccn1-c1ccc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)cc1F Fc1cc(F)cc(c1)[*:1] Cc1nccn1-c1ccc(cc1F)CNC(=O)C(=O)N[*:1]
Cc1nccn1-c1ccc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)cc1F Cc1nccn1[*:1] O=C(NCc1ccc(c(F)c1)[*:1])C(=O)Nc1cc(F)cc(F)c1
CC[C@H](CSC)N(C)C(=O)Nc1cncc2ccccc12 CSC[*:1] CC[C@H](N(C)C(=O)Nc1cncc2ccccc12)[*:1]
CSc1ccc(NC(=O)CC[C@@H](C)O)cc1 C[C@@H](O)CC[*:1] CSc1ccc(cc1)NC(=O)[*:1]
CSc1ccc(NC(=O)CC[C@@H](C)O)cc1 C[C@@H](O)C[*:1] CSc1ccc(cc1)NC(=O)C[*:1]
CSc1ccc(NC(=O)CC[C@@H](C)O)cc1 C[C@@H](O)[*:1] CSc1ccc(cc1)NC(=O)CC[*:1]
Cc1ccc([N+](=O)[O-])c(N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c1 O=C([O-])[*:1] Cc1ccc(c(c1)N[C@@H]1C=C[C@@H](C1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N[C@@H]1C=C[C@H](C1)C(=O)[O-])[*:1]
COC(=O)c1sc(C(=O)OC)c(C(=O)[O-])c1C(=O)[O-] O=C([O-])[*:1] COC(=O)c1sc(C(=O)OC)c(c1C(=O)[O-])[*:1]
COC(=O)c1sc(C(=O)OC)c(C(=O)[O-])c1C(=O)[O-] COC(=O)[*:1] COC(=O)c1sc(c(C(=O)[O-])c1C(=O)[O-])[*:1]
CC(C)CC(=O)NCCCn1ccnc1 c1cn(cn1)[*:1] CC(C)CC(=O)NCCC[*:1]
CC(C)CC(=O)NCCCn1ccnc1 CC(C)[*:1] O=C(C[*:1])NCCCn1ccnc1
CC(C)CC(=O)NCCCn1ccnc1 CC(C)C[*:1] O=C(NCCCn1ccnc1)[*:1]
Cc1ccc2nc(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)sc2c1 Fc1ccc(cc1)[*:1] Cc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N[*:1]
O=[n+]1c(-c2cccs2)c([O-])n(OCc2c(F)cccc2F)c2ccccc21 Fc1cccc(F)c1[*:1] O=[n+]1c(-c2cccs2)c([O-])n(OC[*:1])c2ccccc21
O=[n+]1c(-c2cccs2)c([O-])n(OCc2c(F)cccc2F)c2ccccc21 Fc1cccc(F)c1C[*:1] O=[n+]1c(-c2cccs2)c([O-])n(O[*:1])c2ccccc21
O=[n+]1c(-c2cccs2)c([O-])n(OCc2c(F)cccc2F)c2ccccc21 c1csc(c1)[*:1] O=[n+]1c(c([O-])n(OCc2c(F)cccc2F)c2ccccc21)[*:1]
C[C@@H](NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)c1ccc2c(c1)CCCC2 CS(=O)(=O)[*:1] C[C@@H](NC(=O)c1nc(n2ccccc12)[*:1])c1ccc2CCCCc2c1
Cn1ncc2c(N3CCCN(CC(F)(F)F)CC3)ncnc21 FC(F)(F)C[*:1] Cn1ncc2c(ncnc21)N1CCCN(CC1)[*:1]
Cn1ncc2c(N3CCCN(CC(F)(F)F)CC3)ncnc21 FC(F)(F)[*:1] Cn1ncc2c(ncnc21)N1CCCN(CC1)C[*:1]
C[C@@H](OCC1CC1)C(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 C1CC1[*:1] C[C@@H](OC[*:1])C(=O)[C@H](C#N)c1nc2sc3CCCCc3c2c(=O)[nH]1
C[C@@H](OCC1CC1)C(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 C1CC1C[*:1] C[C@@H](O[*:1])C(=O)[C@H](C#N)c1nc2sc3CCCCc3c2c(=O)[nH]1
C[C@@H](OCC1CC1)C(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 C1CC1CO[*:1] C[C@@H](C(=O)[C@H](C#N)c1nc2sc3CCCCc3c2c(=O)[nH]1)[*:1]
C[C@@H]1CN(Cc2cccc(CNC(=O)N[C@@H](CO)c3ccco3)c2)CCO1 C[C@@H]1CN(CCO1)[*:1] O=C(NCc1cccc(c1)C[*:1])N[C@@H](CO)c1ccco1
C[C@@H]1CN(Cc2cccc(CNC(=O)N[C@@H](CO)c3ccco3)c2)CCO1 c1coc(c1)[*:1] C[C@@H]1CN(CCO1)Cc1cccc(c1)CNC(=O)N[C@@H](CO)[*:1]
C[C@@H]1CN(Cc2cccc(CNC(=O)N[C@@H](CO)c3ccco3)c2)CCO1 C[C@@H]1CN(CCO1)C[*:1] O=C(NCc1cccc(c1)[*:1])N[C@@H](CO)c1ccco1
C[C@H]1CN(CCC2CCN(c3ncccc3Cl)CC2)C[C@@H](C)O1 Clc1cccnc1[*:1] C[C@H]1CN(CCC2CCN(CC2)[*:1])C[C@@H](C)O1
CN(C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)N[C@H]1CCCc2cc(ccc21)OC(F)F)[*:1]
CN(C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)C1CCCCC1 FC(F)[*:1] CN(C(=O)N[C@H]1CCCc2cc(ccc21)O[*:1])C1CCCCC1
CN(C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)C1CCCCC1 FC(F)O[*:1] CN(C(=O)N[C@H]1CCCc2cc(ccc21)[*:1])C1CCCCC1
N#CCN1CCN(C(=O)c2cccc3ccccc23)CC1 N#CC[*:1] O=C(c1cccc2ccccc12)N1CCN(CC1)[*:1]
C[C@H](Sc1nc(N)cc(=O)[nH]1)c1nnc(-c2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] C[C@H](Sc1nc(N)cc(=O)[nH]1)c1nnc(o1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)c2ccccc2)c(c1)O[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(OCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)c2ccccc2)c(c1)OC[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] Cc1ccc(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)c2ccccc2)c(c1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(OCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)[*:1])c(c1)OCc1ccccc1
Cc1ccccc1-n1ncc(/C([O-])=N/S(=O)(=O)c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] Cc1ccccc1-n1ncc(/C([O-])=N/S(=O)(=O)[*:1])c1C
Cc1ccccc1-n1ncc(/C([O-])=N/S(=O)(=O)c2ccc(F)cc2)c1C Cc1ccccc1[*:1] Cc1c(cnn1[*:1])/C([O-])=N/S(=O)(=O)c1ccc(F)cc1
COc1ccc(C(=O)N2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1cc(F)c(Cl)cc1Cl)N1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)cc1 Fc1cc(c(Cl)cc1Cl)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[*:1]
CS[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CCC1 C1CC(C1)[*:1] CS[C@@H]1CCC[C@@H]1NS(=O)(=O)C[*:1]
CS[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CCC1 C1CC(C1)C[*:1] CS[C@@H]1CCC[C@@H]1NS(=O)(=O)[*:1]
C[C@H](NC(=O)CC1CCN(C(=O)Cn2cncn2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CC1CCN(CC1)C(=O)Cn1cncn1)[*:1]
C[C@H](NC(=O)CC1CCN(C(=O)Cn2cncn2)CC1)c1ccccc1 c1ncn(n1)[*:1] C[C@H](NC(=O)CC1CCN(CC1)C(=O)C[*:1])c1ccccc1
C[C@H](NC(=O)CC1CCN(C(=O)Cn2cncn2)CC1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CC1CCN(CC1)C(=O)Cn1cncn1)N[*:1]
C[C@H](NC(=O)CC1CCN(C(=O)Cn2cncn2)CC1)c1ccccc1 c1ncn(C[*:1])n1 C[C@H](NC(=O)CC1CCN(CC1)C(=O)[*:1])c1ccccc1
C[C@@]12CCCC[C@@H]1CC/C(=C/c1ccco1)C2=O c1coc(c1)[*:1] C[C@@]12CCCC[C@@H]1CCC(=C[*:1])C2=O
COC(=O)[C@H](C)SCc1c(C#N)c(C)nn1-c1ccccc1 COC(=O)[*:1] Cc1nn(-c2ccccc2)c(CS[C@@H](C)[*:1])c1C#N
COC(=O)[C@H](C)SCc1c(C#N)c(C)nn1-c1ccccc1 COC(=O)[C@H](C)[*:1] Cc1nn(-c2ccccc2)c(CS[*:1])c1C#N
COC(=O)[C@H](C)SCc1c(C#N)c(C)nn1-c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)SCc1c(C#N)c(C)nn1[*:1]
Cc1ccc2c(c1)N(C)C(=O)[C@](C)(C(=O)NC1CCCC1)O2 C1CCC(C1)[*:1] Cc1ccc2O[C@@](C)(C(=O)N[*:1])C(=O)N(C)c2c1
C[C@@H]1C[NH+]=C(N2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)S1 N#Cc1ccc(cc1)[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)CN[*:1]
Cc1ccccc1[C@@H](NCCC[NH+](C)C)C1CC1 C1CC1[*:1] Cc1ccccc1[C@@H](NCCC[NH+](C)C)[*:1]
Cc1ccc(C[NH+](C)CC(=O)Nc2ccccc2C(=O)NC(C)C)o1 CC(C)[*:1] Cc1ccc(C[NH+](C)CC(=O)Nc2ccccc2C(=O)N[*:1])o1
Cc1ccc(C[NH+](C)CC(=O)Nc2ccccc2C(=O)NC(C)C)o1 CC(C)NC(=O)[*:1] Cc1ccc(C[NH+](C)CC(=O)Nc2ccccc2[*:1])o1
Cc1ccc(C[NH+](C)CC(=O)Nc2ccccc2C(=O)NC(C)C)o1 Cc1ccc(o1)[*:1] CC(C)NC(=O)c1ccccc1NC(=O)C[NH+](C)C[*:1]
CNc1nc([C@H]2CCCCN2C(C)=O)[nH+]c2c1CN(C(=O)CCOC)CC2 CC(=O)N1CCCC[C@@H]1[*:1] CNc1nc([nH+]c2CCN(Cc12)C(=O)CCOC)[*:1]
CNc1nc([C@H]2CCCCN2C(C)=O)[nH+]c2c1CN(C(=O)CCOC)CC2 COCC[*:1] CNc1nc([nH+]c2CCN(Cc12)C(=O)[*:1])[C@H]1CCCCN1C(C)=O
CNc1nc([C@H]2CCCCN2C(C)=O)[nH+]c2c1CN(C(=O)CCOC)CC2 COC[*:1] CNc1nc([nH+]c2CCN(Cc12)C(=O)C[*:1])[C@H]1CCCCN1C(C)=O
Cc1ccc(NC(=O)NC[C@H]2CCO[C@H]2C(C)(C)C)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NC[C@H]1CCO[C@H]1C(C)(C)C
Cc1ccc(NC(=O)NC[C@H]2CCO[C@H]2C(C)(C)C)cc1S(C)(=O)=O CC(C)(C)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)NC[C@H]1CCO[C@@H]1[*:1]
O=C(Cc1cccs1)N1CCC(CNC(=O)C2(c3cccs3)CCCC2)CC1 c1csc(c1)[*:1] O=C(C[*:1])N1CCC(CC1)CNC(=O)C1(CCCC1)c1cccs1
O=C(Cc1cccs1)N1CCC(CNC(=O)C2(c3cccs3)CCCC2)CC1 c1csc(c1)C[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])C1(CCCC1)c1cccs1
O=C(Cc1cccs1)N1CCC(CNC(=O)C2(c3cccs3)CCCC2)CC1 c1csc(c1)[*:1] O=C(Cc1cccs1)N1CCC(CC1)CNC(=O)C1(CCCC1)[*:1]
COc1cc(OC)cc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1 Cn1cnn(c1=O)[*:1] COc1cc(cc(c1)C(=O)Nc1ccc(cc1)[*:1])OC
C[C@H](OCc1cc(Cl)ccc1N)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](OCc1cc(Cl)ccc1N)[*:1]
CC[C@H](C)[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 CC(C)(C)[NH2+][*:1] CC[C@H](C)[NH+]1CCN(CC1)C(=O)C[*:1]
CC[C@H](C)[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 CC(C)(C)[NH2+]C[*:1] CC[C@H](C)[NH+]1CCN(CC1)C(=O)[*:1]
CC[C@H](C)[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 CC[C@H](C)[*:1] CC(C)(C)[NH2+]CC(=O)N1CC[NH+](CC1)[*:1]
CC[C@H](C)[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 CC(C)(C)[*:1] CC[C@H](C)[NH+]1CCN(CC1)C(=O)C[NH2+][*:1]
Cc1cc(C(=O)CN2CC[NH+](C3CCCC3)CC2)c(C)n1-c1nccs1 c1csc(n1)[*:1] Cc1cc(C(=O)CN2CC[NH+](CC2)C2CCCC2)c(C)n1[*:1]
Cc1cc(C(=O)CN2CC[NH+](C3CCCC3)CC2)c(C)n1-c1nccs1 C1CCC(C1)[*:1] Cc1cc(C(=O)CN2CC[NH+](CC2)[*:1])c(C)n1-c1nccs1
Cc1cc(C[C@H](C)[NH2+][C@@H](C)C2CCC2)n[nH]1 C1CC(C1)[*:1] Cc1cc(C[C@H](C)[NH2+][C@@H](C)[*:1])n[nH]1
O=S(=O)(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cccc2ccccc12 c1ccc(cc1)[*:1] O=S(=O)(NCCC[NH+]1CCN(CC1)[*:1])c1cccc2ccccc12
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCOCC1)N[*:1]
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] O=c1oc2cc(ccc2n1C[*:1])S(=O)(=O)N1CCOCC1
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21)Nc1ccc(Cl)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(Cn1c(=O)oc2cc(ccc21)[*:1])Nc1ccc(Cl)cc1
O=C1OC(c2cccs2)=N/C1=C\c1cccs1 c1csc(c1)[*:1] O=C1OC(=NC1=C[*:1])c1cccs1
O=C1OC(c2cccs2)=N/C1=C\c1cccs1 c1csc(c1)[*:1] O=C1OC(=N/C1=C\c1cccs1)[*:1]
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 Fc1ccccc1C[*:1] O=C(NNC(=O)[*:1])[C@@H]1CCCN1C(=O)C1CCCC1
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 C1CCC(C1)[*:1] O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCCN1C(=O)[*:1]
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 Fc1ccccc1[*:1] O=C(C[*:1])NNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1
CC[NH+](CC)[C@@H](CNC(=O)C1CCN(C(=O)N(C)C)CC1)c1ccsc1 c1cc(cs1)[*:1] CC[NH+](CC)[C@@H](CNC(=O)C1CCN(CC1)C(=O)N(C)C)[*:1]
CCCCNc1nc2ccccc2n1CC(N)=O NC(=O)[*:1] CCCCNc1nc2ccccc2n1C[*:1]
CCCCNc1nc2ccccc2n1CC(N)=O CCCC[*:1] NC(=O)Cn1c(nc2ccccc21)N[*:1]
CCCCNc1nc2ccccc2n1CC(N)=O CCC[*:1] NC(=O)Cn1c(nc2ccccc21)NC[*:1]
CCCCNc1nc2ccccc2n1CC(N)=O NC(=O)C[*:1] CCCCNc1nc2ccccc2n1[*:1]
CCCCNc1nc2ccccc2n1CC(N)=O CCCCN[*:1] NC(=O)Cn1c(nc2ccccc21)[*:1]
O=C(Nc1cn[nH]c1)c1ccc2ccccc2c1O c1n[nH]cc1[*:1] O=C(N[*:1])c1ccc2ccccc2c1O
O=C(Nc1cn[nH]c1)c1cc2ccccc2c(=O)[nH]1 c1n[nH]cc1[*:1] O=C(N[*:1])c1cc2ccccc2c(=O)[nH]1
C[C@H](c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1-c1ccc(F)cc1)[NH+]1CCCCC1 O=C(N1CCCC1)[*:1] C[C@H](c1nnc(S[C@H](c2ccccc2)[*:1])n1-c1ccc(F)cc1)[NH+]1CCCCC1
C[C@H](c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1-c1ccc(F)cc1)[NH+]1CCCCC1 Fc1ccc(cc1)[*:1] C[C@H](c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1[*:1])[NH+]1CCCCC1
C[C@H](c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1-c1ccc(F)cc1)[NH+]1CCCCC1 c1ccc(cc1)[*:1] C[C@H](c1nnc(S[C@H](C(=O)N2CCCC2)[*:1])n1-c1ccc(F)cc1)[NH+]1CCCCC1
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCc2ccccc21 N#Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccccc1N1CCc2ccccc21
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCc2ccccc21 N#Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1ccccc1N1CCc2ccccc21)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1[*:1]
COc1ccccc1NC(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(Cl)cc2)CC1 COc1ccccc1[*:1] O=C(NCC1CCN(CC1)C(=O)N[*:1])C(=O)Nc1ccc(Cl)cc1
COc1ccccc1NC(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] COc1ccccc1NC(=O)N1CCC(CC1)CNC(=O)C(=O)N[*:1]
Cc1ccc(CNC(=O)N(C)Cc2nc3ccccc3s2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1nc2ccccc2s1)C(=O)NC[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3cccc(F)c3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3cccc(F)c3)CC2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C(=O)N[*:1]
O=[S@@](Cc1csc(Cc2ccccc2)n1)Cc1ccc(F)cc1F c1ccc(cc1)[*:1] O=[S@@](Cc1csc(C[*:1])n1)Cc1ccc(F)cc1F
O=[S@@](Cc1csc(Cc2ccccc2)n1)Cc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=[S@@](Cc1csc(Cc2ccccc2)n1)C[*:1]
O=[S@@](Cc1csc(Cc2ccccc2)n1)Cc1ccc(F)cc1F c1ccc(cc1)C[*:1] O=[S@@](Cc1csc(n1)[*:1])Cc1ccc(F)cc1F
CC(C)Cn1ccc2cc(NC(=O)C(=O)N[C@@H](C)c3ccccc3)ccc21 C[C@@H](c1ccccc1)[*:1] CC(C)Cn1ccc2cc(ccc21)NC(=O)C(=O)N[*:1]
CC(C)Cn1ccc2cc(NC(=O)C(=O)N[C@@H](C)c3ccccc3)ccc21 c1ccc(cc1)[*:1] CC(C)Cn1ccc2cc(ccc21)NC(=O)C(=O)N[C@@H](C)[*:1]
CC(C)Cn1ccc2cc(NC(=O)C(=O)N[C@@H](C)c3ccccc3)ccc21 CC(C)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2c(ccn2C[*:1])c1)c1ccccc1
CC(C)Cn1ccc2cc(NC(=O)C(=O)N[C@@H](C)c3ccccc3)ccc21 CC(C)C[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2c(ccn2[*:1])c1)c1ccccc1
C[C@@H](Sc1nnc(-c2ccncc2)o1)C(=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] C[C@@H](Sc1nnc(o1)-c1ccncc1)C(=O)N[*:1]
C[C@@H](Sc1nnc(-c2ccncc2)o1)C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(o1)-c1ccncc1)C(=O)NCC[*:1]
C[C@@H](Sc1nnc(-c2ccncc2)o1)C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Sc1nnc(o1)-c1ccncc1)C(=O)NC[*:1]
C[C@@H](Sc1nnc(-c2ccncc2)o1)C(=O)NCCc1ccccc1 c1cc(ccn1)[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)NCCc1ccccc1
O=c1c(Cl)c(Cl)cnn1C[NH+](Cc1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] O=c1c(Cl)c(Cl)cnn1C[NH+](C[*:1])C1CC1
O=c1c(Cl)c(Cl)cnn1C[NH+](Cc1ccc(F)cc1)C1CC1 C1CC1[*:1] O=c1c(Cl)c(Cl)cnn1C[NH+](Cc1ccc(F)cc1)[*:1]
Cc1ccoc1C[NH+]1CCC(N(C)c2ccccc2)CC1 Cc1ccoc1C[*:1] CN(c1ccccc1)C1CC[NH+](CC1)[*:1]
Cc1ccoc1C[NH+]1CCC(N(C)c2ccccc2)CC1 Cc1ccoc1[*:1] CN(c1ccccc1)C1CC[NH+](CC1)C[*:1]
Cc1ccoc1C[NH+]1CCC(N(C)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccoc1C[NH+]1CCC(CC1)N(C)[*:1]
C[C@]1(CNC(=O)Nc2ccc(F)cc2OCC(F)F)CCCS1 FC(F)CO[*:1] C[C@@]1(CCCS1)CNC(=O)Nc1ccc(F)cc1[*:1]
C[C@]1(CNC(=O)Nc2ccc(F)cc2OCC(F)F)CCCS1 FC(F)[*:1] C[C@@]1(CCCS1)CNC(=O)Nc1ccc(F)cc1OC[*:1]
C[C@]1(CNC(=O)Nc2ccc(F)cc2OCC(F)F)CCCS1 FC(F)C[*:1] C[C@@]1(CCCS1)CNC(=O)Nc1ccc(F)cc1O[*:1]
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)CCc1ccccn1 c1ccc(C[*:1])nc1 C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)C[*:1]
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)CCc1ccccn1 c1ccc(nc1)[*:1] C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)CC[*:1]
Cc1cccc(C2=N/C(=C/c3cn(C)nc3C(C)(C)C)C(=O)O2)c1 CC(C)(C)[*:1] Cc1cccc(c1)C1=N/C(=C/c2cn(C)nc2[*:1])C(=O)O1
Cc1cccc(C2=N/C(=C/c3cn(C)nc3C(C)(C)C)C(=O)O2)c1 Cc1cccc(c1)[*:1] Cn1cc(/C=C2/N=C(OC2=O)[*:1])c(n1)C(C)(C)C
O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2C2CC2)cc1 O=[N+]([O-])[*:1] c1cc(ccc1CSc1nnc(C2CC2)n1C1CC1)[*:1]
O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2C2CC2)cc1 C1CC1[*:1] O=[N+]([O-])c1ccc(cc1)CSc1nnc(C2CC2)n1[*:1]
O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2C2CC2)cc1 C1CC1[*:1] O=[N+]([O-])c1ccc(cc1)CSc1nnc(n1C1CC1)[*:1]
O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cnc(-c2ccccc2)nc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)c1cnc(nc1)[*:1]
CCNc1cc(CSc2nnc(C)n2C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1cc(ccc1[*:1])CSc1nnc(C)n1C
CCNc1cc(CSc2nnc(C)n2C)ccc1[N+](=O)[O-] Cc1nnc(n1C)[*:1] CCNc1cc(ccc1[N+](=O)[O-])CS[*:1]
CCNc1cc(CSc2nnc(C)n2C)ccc1[N+](=O)[O-] CCN[*:1] Cc1nnc(SCc2ccc(c(c2)[*:1])[N+](=O)[O-])n1C
Cc1cc(C)n(CCC[NH2+][C@H](c2ccccc2)C(C)C)n1 CC(C)[*:1] Cc1cc(C)n(CCC[NH2+][C@H](c2ccccc2)[*:1])n1
Cc1cc(C)n(CCC[NH2+][C@H](c2ccccc2)C(C)C)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CCC[NH2+][C@H](C(C)C)[*:1])n1
Cc1cc(C)n(CCC[NH2+][C@H](c2ccccc2)C(C)C)n1 Cc1cc(C)n(n1)[*:1] CC(C)[C@H]([NH2+]CCC[*:1])c1ccccc1
Cc1cc([C@@H]2CCCN(C(=O)COCCOc3ccccc3)C2)n[nH]1 c1ccc(cc1)O[*:1] Cc1cc(n[nH]1)[C@@H]1CCCN(C1)C(=O)COCC[*:1]
Cc1cc([C@@H]2CCCN(C(=O)COCCOc3ccccc3)C2)n[nH]1 c1ccc(cc1)[*:1] Cc1cc(n[nH]1)[C@@H]1CCCN(C1)C(=O)COCCO[*:1]
Cc1cc([C@@H]2CCCN(C(=O)COCCOc3ccccc3)C2)n[nH]1 Cc1cc(n[nH]1)[*:1] O=C(COCCOc1ccccc1)N1CCC[C@H](C1)[*:1]
Cc1cc([C@@H]2CCCN(C(=O)COCCOc3ccccc3)C2)n[nH]1 c1ccc(cc1)OC[*:1] Cc1cc(n[nH]1)[C@@H]1CCCN(C1)C(=O)COC[*:1]
C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[*:1]
O=C(Cc1ccc(F)cc1F)NCCC[NH2+]C1CC1 C1CC1[*:1] O=C(Cc1ccc(F)cc1F)NCCC[NH2+][*:1]
CCN(CC(C)C)C(=O)NC(=O)[C@@H](C)Cl CC(C)C[*:1] CCN(C(=O)NC(=O)[C@@H](C)Cl)[*:1]
CCN(CC(C)C)C(=O)NC(=O)[C@@H](C)Cl C[C@@H](Cl)[*:1] CCN(CC(C)C)C(=O)NC(=O)[*:1]
CCN(CC(C)C)C(=O)NC(=O)[C@@H](C)Cl CC(C)[*:1] CCN(C[*:1])C(=O)NC(=O)[C@@H](C)Cl
CN1C[C@H](NC(=O)c2cc(-c3cccc(Cl)c3)no2)CC1=O Clc1cccc(c1)[*:1] CN1C[C@@H](CC1=O)NC(=O)c1cc(no1)[*:1]
COc1ccc(COC2CN(C(=O)c3ccc(F)c(F)c3)C2)cc1F Fc1ccc(cc1F)[*:1] COc1ccc(cc1F)COC1CN(C1)C(=O)[*:1]
Cc1ccc2oc(SCc3noc(CCC(=O)Nc4cc(F)ccc4C)n3)nc2c1 Cc1ccc2oc(nc2c1)[*:1] Cc1ccc(F)cc1NC(=O)CCc1nc(CS[*:1])no1
Cc1ccc2oc(SCc3noc(CCC(=O)Nc4cc(F)ccc4C)n3)nc2c1 Cc1ccc(F)cc1[*:1] Cc1ccc2oc(nc2c1)SCc1noc(CCC(=O)N[*:1])n1
CCOc1ncccc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCOc1ncccc1C(=O)N1CCN(CC1)CC(=O)N[*:1]
CCOc1ncccc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 CCO[*:1] O=C(CN1CCN(CC1)C(=O)c1cccnc1[*:1])Nc1ccc(F)cc1
CCOc1ncccc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 CCOc1ncccc1[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1ccc(F)cc1
COC(=O)c1sc2nc(CN3CCSC(C)(C)C3)[nH]c(=O)c2c1C CC1(C)CN(CCS1)[*:1] COC(=O)c1sc2nc(C[*:1])[nH]c(=O)c2c1C
COC(=O)c1sc2nc(CN3CCSC(C)(C)C3)[nH]c(=O)c2c1C COC(=O)[*:1] Cc1c(sc2nc(CN3CCSC(C)(C)C3)[nH]c(=O)c12)[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NC(=O)c1cccc(c1)[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NC(=O)[*:1]
Cc1cc([C@H](O)C[C@@H](C)CC(=O)[O-])sc1Br O=C([O-])[*:1] Cc1cc(sc1Br)[C@H](O)C[C@@H](C)C[*:1]
Cc1cc([C@H](O)C[C@@H](C)CC(=O)[O-])sc1Br O=C([O-])C[*:1] Cc1cc(sc1Br)[C@H](O)C[C@@H](C)[*:1]
C[C@@H](OC(=O)c1ncn(-c2ccccc2)n1)c1cnc2ccccc2c1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1ncn(n1)[*:1])c1cnc2ccccc2c1
Nc1nc(NCc2ccc(F)cc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Nc1nc(nn1[*:1])NCc1ccc(F)cc1
Nc1nc(NCc2ccc(F)cc2)nn1-c1ccccc1 Fc1ccc(cc1)[*:1] Nc1nc(nn1-c1ccccc1)NC[*:1]
O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 C1CCC(C1)[*:1] O=C(CS(=O)(=O)[*:1])N[C@@H]1CCN(C1)c1cccc(Cl)c1
O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 O=S(=O)(C1CCCC1)[*:1] O=C(C[*:1])N[C@@H]1CCN(C1)c1cccc(Cl)c1
O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CCN(C1)[*:1]
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1 CC(=O)N[*:1] O=C(CSc1nnc(o1)-c1ccc(cc1)[*:1])Nc1ccc(Cl)cc1
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)-c1nnc(o1)SCC(=O)N[*:1]
Cc1ccc(CCN(Cc2ccncc2)C[C@@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] c1cc(ccn1)CN(CC[*:1])C[C@@H]1CCCO1
Cc1ccc(CCN(Cc2ccncc2)C[C@@H]2CCCO2)cc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1)CCN(C[C@@H]1CCCO1)[*:1]
Cc1ccc(CCN(Cc2ccncc2)C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)CCN(Cc1ccncc1)[*:1]
Cc1ccc(CCN(Cc2ccncc2)C[C@@H]2CCCO2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)CCN(C[C@@H]1CCCO1)C[*:1]
CCC(=O)N1CCC[NH+](Cc2ccc(-c3cccc(F)c3C)o2)CC1 Cc1c(F)cccc1[*:1] CCC(=O)N1CCC[NH+](CC1)Cc1ccc(o1)[*:1]
CCCn1c(=O)n(CCC(=O)NCc2ccc(F)c(C)c2)c2ccccc21 CCC[*:1] Cc1cc(ccc1F)CNC(=O)CCn1c(=O)n(c2ccccc21)[*:1]
CCCn1c(=O)n(CCC(=O)NCc2ccc(F)c(C)c2)c2ccccc21 Cc1cc(ccc1F)[*:1] CCCn1c(=O)n(CCC(=O)NC[*:1])c2ccccc21
CCCn1c(=O)n(CCC(=O)NCc2ccc(F)c(C)c2)c2ccccc21 Cc1cc(ccc1F)C[*:1] CCCn1c(=O)n(CCC(=O)N[*:1])c2ccccc21
CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1nc2ccccc2n1C FC(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)CSc1nc2ccccc2n1C
CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1nc2ccccc2n1C FC(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)CSc1nc2ccccc2n1C
O=C(NC1CC[NH+](Cc2cscn2)CC1)N(CC1CC1)CC1CC1 c1nc(cs1)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])N(CC1CC1)CC1CC1
O=C(NC1CC[NH+](Cc2cscn2)CC1)N(CC1CC1)CC1CC1 c1nc(cs1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])N(CC1CC1)CC1CC1
O=C(NC1CC[NH+](Cc2cscn2)CC1)N(CC1CC1)CC1CC1 C1CC1C[*:1] O=C(NC1CC[NH+](CC1)Cc1cscn1)N(CC1CC1)[*:1]
O=C(NC1CC[NH+](Cc2cscn2)CC1)N(CC1CC1)CC1CC1 C1CC1[*:1] O=C(NC1CC[NH+](CC1)Cc1cscn1)N(CC1CC1)C[*:1]
O=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1ccccc1 c1cncc(c1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1ccccc1
O=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1cccnc1
O=C[C@@H](O)[C@@H]1CCOC2(CCSCC2)C1 O=C[C@@H](O)[*:1] C1C[C@H](CC2(CCSCC2)O1)[*:1]
COc1ccccc1/C(C)=C/C(=O)N[C@H](C#N)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] COc1ccccc1/C(C)=C/C(=O)N[C@H](C#N)[*:1]
COCCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@H](C)C4 COCCCNC(=O)[*:1] Cc1nc2sc3CC[C@H](C)Cc3c2c2nc(nn12)[*:1]
COCCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@H](C)C4 COCC[*:1] Cc1nc2sc3CC[C@H](C)Cc3c2c2nc(nn12)C(=O)NC[*:1]
COCCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@H](C)C4 COCCC[*:1] Cc1nc2sc3CC[C@H](C)Cc3c2c2nc(nn12)C(=O)N[*:1]
COCCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CC[C@H](C)C4 COC[*:1] Cc1nc2sc3CC[C@H](C)Cc3c2c2nc(nn12)C(=O)NCC[*:1]
CC(C)COC[C@H]1C[C@H](C[C@@H]2SC(=N)NC2=O)C(=O)O1 CC(C)COC[*:1] N=C1NC(=O)[C@H](C[C@H]2C[C@@H](OC2=O)[*:1])S1
CC(C)COC[C@H]1C[C@H](C[C@@H]2SC(=N)NC2=O)C(=O)O1 CC(C)[*:1] N=C1NC(=O)[C@H](C[C@H]2C[C@H](COC[*:1])OC2=O)S1
CC(C)COC[C@H]1C[C@H](C[C@@H]2SC(=N)NC2=O)C(=O)O1 CC(C)C[*:1] N=C1NC(=O)[C@H](C[C@H]2C[C@H](CO[*:1])OC2=O)S1
CC(C)COC[C@H]1C[C@H](C[C@@H]2SC(=N)NC2=O)C(=O)O1 CC(C)CO[*:1] N=C1NC(=O)[C@H](C[C@H]2C[C@H](C[*:1])OC2=O)S1
CC[C@H]1C(=O)NCCN1C(=O)CCCCOc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CC[C@H]1C(=O)NCCN1C(=O)CCCCO[*:1]
C[NH2+][C@H]1CCCCC[C@@H]1SC1COC1 C1OCC1[*:1] C[NH2+][C@H]1CCCCC[C@@H]1S[*:1]
CC1=C(C(=O)OC2CCCCC2)[C@H]2C[C@@](C)(N1)Oc1ccccc12 C1CCC(CC1)[*:1] CC1N[C@]2(C)C[C@H](C=1C(=O)O[*:1])c1ccccc1O2
C[NH+]1CCC(C[NH+](C)Cc2ccn(Cc3ccccc3)c2)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCC(CC1)C[NH+](C)Cc1ccn(c1)[*:1]
C[NH+]1CCC(C[NH+](C)Cc2ccn(Cc3ccccc3)c2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)C[NH+](C)Cc1ccn(c1)C[*:1]
C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1[*:1]
CC(C)C(=O)NC[C@H](C)NC(=O)C(C)C CC(C)[*:1] CC(C)C(=O)N[C@@H](C)CNC(=O)[*:1]
CC(C)C(=O)NC[C@H](C)NC(=O)C(C)C CC(C)[*:1] CC(C)C(=O)NC[C@H](C)NC(=O)[*:1]
CCOCCCNC(=O)c1cccc(NC(=O)N2CCc3cc(F)ccc3C2)c1 CCOC[*:1] O=C(NCC[*:1])c1cccc(c1)NC(=O)N1CCc2cc(F)ccc2C1
CCOCCCNC(=O)c1cccc(NC(=O)N2CCc3cc(F)ccc3C2)c1 CCOCC[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)N1CCc2cc(F)ccc2C1
CCOCCCNC(=O)c1cccc(NC(=O)N2CCc3cc(F)ccc3C2)c1 CCOCCCNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCc2cc(F)ccc2C1
CCOCCCNC(=O)c1cccc(NC(=O)N2CCc3cc(F)ccc3C2)c1 CCO[*:1] O=C(NCCC[*:1])c1cccc(c1)NC(=O)N1CCc2cc(F)ccc2C1
CCOCCCNC(=O)c1cccc(NC(=O)N2CCc3cc(F)ccc3C2)c1 CCOCCC[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)N1CCc2cc(F)ccc2C1
C[C@@](C#N)(NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1)C1CC1 C1CCC(CC1)[*:1] C[C@@](C#N)(NC(=O)CSc1nc2ccccc2c(=O)n1[*:1])C1CC1
C[C@@](C#N)(NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1)C1CC1 C1CC1[*:1] C[C@@](C#N)(NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1)[*:1]
Cc1cccc(NC(=O)CCNC(=O)c2cc(Cl)ccc2Cl)n1 Cc1cccc(n1)[*:1] O=C(CCNC(=O)c1cc(Cl)ccc1Cl)N[*:1]
Cc1ccccc1N1/C(=N/C(=O)CCc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21 c1ccc(cc1)[*:1] Cc1ccccc1N1/C(=N/C(=O)CC[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1ccccc1N1/C(=N/C(=O)CCc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21 Cc1ccccc1[*:1] O=C(CCc1ccccc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1ccccc1N1/C(=N/C(=O)CCc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21 c1ccc(cc1)CC[*:1] Cc1ccccc1N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1ccccc1N1/C(=N/C(=O)CCc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21 c1ccc(cc1)C[*:1] Cc1ccccc1N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)c12 C1CC1[*:1] Cc1noc2nc(cc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)c12)[*:1]
CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)n1 Clc1ccccc1[*:1] CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1nnc(SC[*:1])s1
CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)n1 Clc1ccccc1C[*:1] CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1nnc(S[*:1])s1
CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)n1 CCS(=O)(=O)[*:1] O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1nc(ncc1Cl)[*:1]
CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)n1 Clc1ccccc1CS[*:1] CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1nnc(s1)[*:1]
CCOc1ccccc1C(=O)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 Brc1ccc(cc1)[*:1] CCOc1ccccc1C(=O)N([C@@H]1C=CS(=O)(=O)C1)[*:1]
CCOc1ccccc1C(=O)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 CCO[*:1] O=C(c1ccccc1[*:1])N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1
Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] NC(=O)CSc1nnc(-c2ccncc2)n1[*:1]
Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)c(C)c1 c1cc(ccn1)[*:1] Cc1ccc(c(C)c1)-n1c(nnc1[*:1])SCC(N)=O
Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)c(C)c1 NC(=O)C[*:1] Cc1ccc(c(C)c1)-n1c(nnc1-c1ccncc1)S[*:1]
Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)c(C)c1 NC(=O)CS[*:1] Cc1ccc(c(C)c1)-n1c(nnc1[*:1])-c1ccncc1
Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)c(C)c1 NC(=O)[*:1] Cc1ccc(c(C)c1)-n1c(nnc1-c1ccncc1)SC[*:1]
O=C(N/N=C1\SCC(=O)N1Cc1cccs1)c1ccccc1F c1csc(c1)[*:1] O=C(N/N=C1\SCC(=O)N1C[*:1])c1ccccc1F
O=C(N/N=C1\SCC(=O)N1Cc1cccs1)c1ccccc1F Fc1ccccc1[*:1] O=C1CS/C(=N\NC(=O)[*:1])N1Cc1cccs1
O=C(N/N=C1\SCC(=O)N1Cc1cccs1)c1ccccc1F c1csc(c1)C[*:1] O=C(N/N=C1\SCC(=O)N1[*:1])c1ccccc1F
Cc1oc(C(=O)Nc2c(F)cccc2F)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)Nc1c(F)cccc1F
C[C@H]1C(=O)NCCN1CC(=O)NC1CC1 C1CC1[*:1] C[C@H]1C(=O)NCCN1CC(=O)N[*:1]
Cc1cc(-c2nnc(-c3ccccc3Br)o2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])-c1nnc(o1)-c1ccccc1Br
Cc1cc(-c2nnc(-c3ccccc3Br)o2)ccc1[N+](=O)[O-] Brc1ccccc1[*:1] Cc1cc(ccc1[N+](=O)[O-])-c1nnc(o1)[*:1]
O=[N+]([O-])c1c(NC[C@H]2CCCO2)ncnc1Oc1cccc2cccnc12 O=[N+]([O-])[*:1] c1cnc2c(cccc2c1)Oc1ncnc(NC[C@H]2CCCO2)c1[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)[*:1]
O=C([O-])c1ccc(-c2cccc(O)c2)cc1Cl O=C([O-])[*:1] Oc1cccc(c1)-c1ccc(c(Cl)c1)[*:1]
Cn1nc2c(cc1=O)CN(c1nc(C(F)(F)F)ccc1C#N)CC2 FC(F)(F)[*:1] Cn1nc2CCN(Cc2cc1=O)c1nc(ccc1C#N)[*:1]
CCn1ccnc1CN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 c1ccc(cc1)O[*:1] CCn1ccnc1CN1CCCC[C@@H]1C(=O)Nc1ccc(nc1)[*:1]
CCn1ccnc1CN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 c1ccc(cc1)[*:1] CCn1ccnc1CN1CCCC[C@@H]1C(=O)Nc1ccc(nc1)O[*:1]
CCn1ccnc1CN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 CCn1ccnc1C[*:1] O=C(Nc1ccc(nc1)Oc1ccccc1)[C@H]1CCCCN1[*:1]
CCn1ccnc1CN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 CCn1ccnc1[*:1] O=C(Nc1ccc(nc1)Oc1ccccc1)[C@H]1CCCCN1C[*:1]
CNC(=O)CN(C)c1cccc(Cl)c1C[NH2+]C CNC(=O)[*:1] C[NH2+]Cc1c(Cl)cccc1N(C)C[*:1]
CNC(=O)CN(C)c1cccc(Cl)c1C[NH2+]C CNC(=O)C[*:1] C[NH2+]Cc1c(Cl)cccc1N(C)[*:1]
Cc1cnc2c(c1)nc(SCC(=O)[O-])n2[C@@H](C)C1CC1 C1CC1[*:1] Cc1cnc2c(c1)nc(SCC(=O)[O-])n2[C@@H](C)[*:1]
Cc1cnc2c(c1)nc(SCC(=O)[O-])n2[C@@H](C)C1CC1 O=C([O-])CS[*:1] Cc1cnc2c(c1)nc(n2[C@@H](C)C1CC1)[*:1]
Cc1cnc2c(c1)nc(SCC(=O)[O-])n2[C@@H](C)C1CC1 O=C([O-])C[*:1] Cc1cnc2c(c1)nc(S[*:1])n2[C@@H](C)C1CC1
Cc1cnc2c(c1)nc(SCC(=O)[O-])n2[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] Cc1cnc2c(c1)nc(SCC(=O)[O-])n2[*:1]
Cc1cnc2c(c1)nc(SCC(=O)[O-])n2[C@@H](C)C1CC1 O=C([O-])[*:1] Cc1cnc2c(c1)nc(SC[*:1])n2[C@@H](C)C1CC1
Cc1cc(C)n2ncc(C(=O)N(C)CCCC(=O)[O-])c2n1 O=C([O-])CC[*:1] Cc1cc(C)n2ncc(C(=O)N(C)C[*:1])c2n1
Cc1cc(C)n2ncc(C(=O)N(C)CCCC(=O)[O-])c2n1 O=C([O-])C[*:1] Cc1cc(C)n2ncc(C(=O)N(C)CC[*:1])c2n1
Cc1cc(C)n2ncc(C(=O)N(C)CCCC(=O)[O-])c2n1 O=C([O-])[*:1] Cc1cc(C)n2ncc(C(=O)N(C)CCC[*:1])c2n1
Cc1cc(C)n2ncc(C(=O)N(C)CCCC(=O)[O-])c2n1 O=C([O-])CCC[*:1] Cc1cc(C)n2ncc(C(=O)N(C)[*:1])c2n1
O=C(Cc1ccccc1)NCC#CCOc1cccc2cccnc12 c1ccc(cc1)C[*:1] O=C(NCC#CCOc1cccc2cccnc12)[*:1]
O=C(Cc1ccccc1)NCC#CCOc1cccc2cccnc12 c1ccc(cc1)[*:1] O=C(C[*:1])NCC#CCOc1cccc2cccnc12
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1nc2ccccc2[nH]1 Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)NCc1nc2ccccc2[nH]1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[*:1]
CCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)cc1OC CCO[*:1] COc1cc(ccc1[*:1])NC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O
Cc1cnc(C(=O)N2CCC(c3[nH]ncc3-c3ccncc3)CC2)cn1 Cc1cnc(cn1)[*:1] O=C(N1CCC(CC1)c1[nH]ncc1-c1ccncc1)[*:1]
Cc1cnc(C(=O)N2CCC(c3[nH]ncc3-c3ccncc3)CC2)cn1 c1cc(ccn1)[*:1] Cc1cnc(cn1)C(=O)N1CCC(CC1)c1[nH]ncc1[*:1]
CCC[C@H](C#N)N1CCN(C(=O)N2CCCCC2)CC1 CCC[C@H](C#N)[*:1] O=C(N1CCCCC1)N1CCN(CC1)[*:1]
CCC[C@H](C#N)N1CCN(C(=O)N2CCCCC2)CC1 CCC[*:1] N#C[C@H](N1CCN(CC1)C(=O)N1CCCCC1)[*:1]
CSc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)s1 CSc1nnc(s1)[*:1] Cn1c(Cc2ccccc2)nnc1SCC(=O)N[*:1]
CSc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)s1 c1ccc(cc1)C[*:1] CSc1nnc(NC(=O)CSc2nnc(n2C)[*:1])s1
CSc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)s1 c1ccc(cc1)[*:1] CSc1nnc(NC(=O)CSc2nnc(C[*:1])n2C)s1
CCS[C@H]1CC[C@H](NC(=O)NC[C@H](O)c2ccco2)C1 c1coc(c1)[*:1] CCS[C@H]1CC[C@@H](C1)NC(=O)NC[C@H](O)[*:1]
CCS[C@H]1CC[C@H](NC(=O)NC[C@H](O)c2ccco2)C1 CCS[*:1] O=C(NC[C@H](O)c1ccco1)N[C@H]1CC[C@@H](C1)[*:1]
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 N#Cc1ccccc1[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)c1ccccc1[*:1]
N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(CC1)C(=O)N[*:1]
CN[C@H](Cc1ccc(OC(F)(F)F)cc1)C(C)(C)[NH+](C)C FC(F)(F)O[*:1] CN[C@H](Cc1ccc(cc1)[*:1])C(C)(C)[NH+](C)C
CN[C@H](Cc1ccc(OC(F)(F)F)cc1)C(C)(C)[NH+](C)C FC(F)(F)[*:1] CN[C@H](Cc1ccc(cc1)O[*:1])C(C)(C)[NH+](C)C
CCN(c1ccc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(cc1)[*:1]
C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccnc2c(C#N)cnn12 FC(F)(F)[*:1] C[C@@H](Sc1ncc(cc1Cl)[*:1])c1ccnc2c(C#N)cnn12
Cc1ccc([C@@H]2CCCN2S(=O)(=O)N[C@@H](C)c2nncn2C)o1 Cc1ccc(o1)[*:1] C[C@H](NS(=O)(=O)N1CCC[C@H]1[*:1])c1nncn1C
Cc1ccc([C@@H]2CCCN2S(=O)(=O)N[C@@H](C)c2nncn2C)o1 Cn1cnnc1[*:1] Cc1ccc(o1)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(c1)[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(-n2cccn2)c1 COC(=O)[*:1] O[C@@H]1C[C@H](N(Cc2cccc(c2)-n2cccn2)C1)[*:1]
COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1nc(NC(=O)c2ccc(c(C)c2)[*:1])sc1C
COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1nc(c(C)s1)[*:1]
Nc1cccc(CN(CCO)C2CCCCC2)[nH+]1 OCC[*:1] Nc1cccc(CN(C2CCCCC2)[*:1])[nH+]1
Nc1cccc(CN(CCO)C2CCCCC2)[nH+]1 C1CCC(CC1)[*:1] Nc1cccc(CN(CCO)[*:1])[nH+]1
NC(=O)CCOC1CC[NH+](Cc2ccccc2)CC1 NC(=O)CCO[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
NC(=O)CCOC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)CCOC1CC[NH+](CC1)C[*:1]
NC(=O)CCOC1CC[NH+](Cc2ccccc2)CC1 NC(=O)[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)OCC[*:1]
NC(=O)CCOC1CC[NH+](Cc2ccccc2)CC1 NC(=O)C[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)OC[*:1]
NC(=O)CCOC1CC[NH+](Cc2ccccc2)CC1 NC(=O)CC[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)O[*:1]
CN(C)C(=O)c1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)cc1 CN(C)C(=O)[*:1] O=C(COc1ncnc2ccc(Br)cc12)Nc1ccc(cc1)[*:1]
CCNC(=O)c1ccc(N2CC[C@@H](CC(=O)[O-])C2)nn1 O=C([O-])[*:1] CCNC(=O)c1ccc(nn1)N1CC[C@H](C1)C[*:1]
CCNC(=O)c1ccc(N2CC[C@@H](CC(=O)[O-])C2)nn1 CCNC(=O)[*:1] O=C([O-])C[C@@H]1CCN(C1)c1ccc(nn1)[*:1]
CCNC(=O)c1ccc(N2CC[C@@H](CC(=O)[O-])C2)nn1 O=C([O-])C[*:1] CCNC(=O)c1ccc(nn1)N1CC[C@@H](C1)[*:1]
C=CCNC(=O)CC(=O)N/N=C/c1cc2c(cc1Br)OCO2 C=CC[*:1] O=C(CC(=O)N[*:1])N/N=C/c1cc2OCOc2cc1Br
C=CCNC(=O)CC(=O)N/N=C/c1cc2c(cc1Br)OCO2 C=CCNC(=O)[*:1] O=C(C[*:1])N/N=C/c1cc2OCOc2cc1Br
C=CCNC(=O)CC(=O)N/N=C/c1cc2c(cc1Br)OCO2 C=CCNC(=O)C[*:1] O=C(N/N=C/c1cc2OCOc2cc1Br)[*:1]
CCc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 CCc1ccc(cc1)N[*:1] Cc1ccc(cc1)C(=O)[C@H](NC(=O)c1ccco1)[*:1]
CCc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)N[C@@H](NC(=O)[*:1])C(=O)c1ccc(C)cc1
CCc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)N[C@@H](NC(=O)c1ccco1)C(=O)[*:1]
CCc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)C(=O)[*:1] CCc1ccc(cc1)N[C@@H](NC(=O)c1ccco1)[*:1]
CCc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 O=C(N[*:1])c1ccco1 CCc1ccc(cc1)N[C@@H](C(=O)c1ccc(C)cc1)[*:1]
CCc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)[C@H](NC(=O)c1ccco1)N[*:1]
CCc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)cc1 CCc1ccc(cc1)[*:1] O=C(c1cnc2ccc(Cl)cc2c1NC[*:1])N1CCCCC1
CCc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)cc1 CCc1ccc(cc1)C[*:1] O=C(c1cnc2ccc(Cl)cc2c1N[*:1])N1CCCCC1
CCc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)cc1 O=C(N1CCCCC1)[*:1] CCc1ccc(cc1)CNc1c(cnc2ccc(Cl)cc12)[*:1]
Cn1c(-c2ccc(C(=O)NNC(=O)COc3ccccc3)s2)nc2ccccc21 c1ccc(cc1)OC[*:1] Cn1c(nc2ccccc21)-c1ccc(s1)C(=O)NNC(=O)[*:1]
Cn1c(-c2ccc(C(=O)NNC(=O)COc3ccccc3)s2)nc2ccccc21 c1ccc(cc1)[*:1] Cn1c(nc2ccccc21)-c1ccc(s1)C(=O)NNC(=O)CO[*:1]
Cn1c(-c2ccc(C(=O)NNC(=O)COc3ccccc3)s2)nc2ccccc21 c1ccc(cc1)O[*:1] Cn1c(nc2ccccc21)-c1ccc(s1)C(=O)NNC(=O)C[*:1]
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(c2nc[nH]n2)CC1 c1nc(n[nH]1)[*:1] Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(CC1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(c2nc[nH]n2)CC1 Clc1ccc(cc1)[*:1] Cc1nn(c(C)c1C[NH+]1CCC(CC1)c1nc[nH]n1)[*:1]
Cc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O c1ccc(cc1)C[*:1] Cc1ccccc1-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
Cc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O O=C(NCc1ccccc1)[*:1] Cc1ccccc1-n1c(nc2ccccc2c1=O)SC[*:1]
Cc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O Cc1ccccc1[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])NCc1ccccc1
Cc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O c1ccc(cc1)[*:1] Cc1ccccc1-n1c(nc2ccccc2c1=O)SCC(=O)NC[*:1]
CSCC[C@](C)(O)CNC(=O)Cc1ccccc1Cl CSC[*:1] C[C@@](O)(CNC(=O)Cc1ccccc1Cl)C[*:1]
CSCC[C@](C)(O)CNC(=O)Cc1ccccc1Cl CSCC[*:1] C[C@](O)(CNC(=O)Cc1ccccc1Cl)[*:1]
Cc1nc(-n2nc(C)c(Cc3ccc(Cl)cc3)c2C)sc1C(=O)N1CCN(CCO)CC1 Clc1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)N1CCN(CCO)CC1)-n1nc(C)c(c1C)[*:1]
Cc1nc(-n2nc(C)c(Cc3ccc(Cl)cc3)c2C)sc1C(=O)N1CCN(CCO)CC1 Clc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N1CCN(CCO)CC1)-n1nc(C)c(C[*:1])c1C
Cc1nc(-n2nc(C)c(Cc3ccc(Cl)cc3)c2C)sc1C(=O)N1CCN(CCO)CC1 OCC[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)[*:1])-n1nc(C)c(Cc2ccc(Cl)cc2)c1C
CCN(Cc1cc(Cl)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CCN(Cc1cc(Cl)ccc1OC)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCN(Cc1cc(Cl)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O COc1ccc(Cl)cc1[*:1] CCN(C[*:1])c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
CCN(Cc1cc(Cl)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CCN(Cc1cc(Cl)ccc1OC)c1c(N)n(C[*:1])c(=O)[nH]c1=O
C[C@@H](CCO)CNC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 C[C@@H](CCO)[*:1] O=C(NC[*:1])N[C@H]1CC(=O)N(C1)CC(F)(F)F
C[C@@H](CCO)CNC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H](CCO)CNC(=O)N[C@H]1CC(=O)N(C1)C[*:1]
C[C@@H](CCO)CNC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] C[C@@H](CCO)CNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
C[C@@H](CCO)CNC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 C[C@@H](CCO)C[*:1] O=C(N[C@H]1CC(=O)N(C1)CC(F)(F)F)N[*:1]
C[C@@H](CCO)CNC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 OCC[*:1] C[C@@H](CNC(=O)N[C@H]1CC(=O)N(C1)CC(F)(F)F)[*:1]
CCC[C@@H]1NC(=O)N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1=O Cc1ccc(cc1C)[*:1] CCC[C@@H]1NC(=O)N(CC(=O)N[C@@H](C)[*:1])C1=O
CCC[C@@H]1NC(=O)N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1=O CCC[*:1] Cc1ccc(cc1C)[C@H](C)NC(=O)CN1C(=O)N[C@H](C1=O)[*:1]
Cc1cc2cc(C(=O)N3CCC[C@@H](CNC(=O)[C@H]4C=c5ccccc5=[NH+]4)C3)ccc2o1 Cc1cc2cc(ccc2o1)[*:1] O=C(NC[C@@H]1CCCN(C1)C(=O)[*:1])[C@H]1C=c2ccccc2=[NH+]1
COC(=O)c1ccccc1NC(=O)c1ccc(-n2nncc2C)cc1 COC(=O)[*:1] Cc1cnnn1-c1ccc(cc1)C(=O)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NC(=O)c1ccc(-n2nncc2C)cc1 Cc1cnnn1[*:1] COC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
COc1ccc(-c2n[nH]cc2CN2CCN(c3ccccc3OC)CC2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)Cc1c[nH]nc1[*:1]
COc1ccc(-c2n[nH]cc2CN2CCN(c3ccccc3OC)CC2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-c1n[nH]cc1CN1CCN(CC1)[*:1]
C#CCNC(=O)c1ccccc1NC(=O)c1nnn(-c2ccc(C)cc2)c1C Cc1ccc(cc1)[*:1] C#CCNC(=O)c1ccccc1NC(=O)c1nnn(c1C)[*:1]
C#CCNC(=O)c1ccccc1NC(=O)c1nnn(-c2ccc(C)cc2)c1C C#CCNC(=O)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)Nc2ccccc2[*:1])c1C
C#CCNC(=O)c1ccccc1NC(=O)c1nnn(-c2ccc(C)cc2)c1C C#CC[*:1] Cc1ccc(cc1)-n1nnc(C(=O)Nc2ccccc2C(=O)N[*:1])c1C
NNc1nc(-c2ccccc2)cc(C(F)(F)F)n1 c1ccc(cc1)[*:1] NNc1nc(cc(n1)[*:1])C(F)(F)F
NNc1nc(-c2ccccc2)cc(C(F)(F)F)n1 FC(F)(F)[*:1] NNc1nc(cc(n1)[*:1])-c1ccccc1
CCC(CC)(NC(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)[C@H]1CCO[C@@H]1C)[*:1]
Cn1cnnc1SCC[C@H]1CCC[C@@]1([NH3+])C(N)=O NC(=O)[*:1] Cn1cnnc1SCC[C@H]1CCC[C@]1([NH3+])[*:1]
Cn1cnnc1SCC[C@H]1CCC[C@@]1([NH3+])C(N)=O Cn1cnnc1[*:1] NC(=O)[C@]1([NH3+])CCC[C@@H]1CCS[*:1]
Cc1cnc([C@@H](C)NC(=O)c2cnc3sc(C)cn3c2=O)s1 Cc1cnc(s1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@H](C)[*:1]
CCOCCN(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1 CCOCC[*:1] CN(C(=O)c1cnn(c1)-c1ccc(Br)cc1)[*:1]
CCOCCN(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1 CCO[*:1] CN(CC[*:1])C(=O)c1cnn(c1)-c1ccc(Br)cc1
CCOCCN(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] CCOCCN(C)C(=O)c1cnn(c1)[*:1]
CCOCCN(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1 CCOC[*:1] CN(C[*:1])C(=O)c1cnn(c1)-c1ccc(Br)cc1
O=C([C@@H]1CCCN1C(=O)Nc1ccc(-n2cncn2)cc1)N1CCOCC1 c1ncn(n1)[*:1] O=C([C@@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1])N1CCOCC1
O=C([C@@H]1CCCN1C(=O)Nc1ccc(-n2cncn2)cc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)-n1cncn1)N1CCC[C@H]1[*:1]
CN(C[C@H]1CCC[C@@H]1O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] CN(C[C@H]1CCC[C@@H]1O)C(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
COC(=O)[C@@H]1CN(Cc2cccc3[nH]ccc23)C[C@@H](C)O1 COC(=O)[*:1] C[C@@H]1CN(Cc2cccc3[nH]ccc23)C[C@H](O1)[*:1]
Cc1c(N)cccc1Oc1ncccc1C(F)(F)F FC(F)(F)[*:1] Cc1c(N)cccc1Oc1ncccc1[*:1]
Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1cc(Cl)ccc1Cl O=[N+]([O-])[*:1] Cc1cc(nn1CCCC(=O)Nc1cc(Cl)ccc1Cl)[*:1]
CCC(CC)(C(=O)[O-])n1nnnc1CC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCC(CC)(C(=O)[O-])n1nnnc1CC[*:1]
CCC(CC)(C(=O)[O-])n1nnnc1CC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CCC(CC)(C(=O)[O-])n1nnnc1C[*:1]
CCC(CC)(C(=O)[O-])n1nnnc1CC[C@@H]1CCCO1 O=C([O-])[*:1] CCC(CC)(n1nnnc1CC[C@@H]1CCCO1)[*:1]
OC[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] OC[C@H]([NH2+]Cc1cc(F)cc(c1)C(F)(F)F)[*:1]
OC[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 FC(F)(F)[*:1] OC[C@H]([NH2+]Cc1cc(F)cc(c1)[*:1])c1ccc(Cl)cc1
COC(=O)c1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1F COC(=O)[*:1] C[C@H]1CN(Cc2ccc(c(F)c2)[*:1])C[C@H](C)S1
O=C1NN=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C1NN=C(C[C@@H]1[*:1])c1ccc(Br)cc1
Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])[*:1] Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@@H](C1)C[*:1]
Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])C[*:1] Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@H](C1)[*:1]
CCCCS(=O)(=O)N1CCN(c2c(C)n[nH]c2C)CC1 CCCC[*:1] Cc1n[nH]c(C)c1N1CCN(CC1)S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCN(c2c(C)n[nH]c2C)CC1 CCC[*:1] Cc1n[nH]c(C)c1N1CCN(CC1)S(=O)(=O)C[*:1]
CNC(=O)CCc1cc(C)nc([C@H]2CCCN2C(C)=O)n1 CNC(=O)C[*:1] CC(=O)N1CCC[C@@H]1c1nc(C)cc(C[*:1])n1
CNC(=O)CCc1cc(C)nc([C@H]2CCCN2C(C)=O)n1 CNC(=O)CC[*:1] CC(=O)N1CCC[C@@H]1c1nc(C)cc(n1)[*:1]
CNC(=O)CCc1cc(C)nc([C@H]2CCCN2C(C)=O)n1 CNC(=O)[*:1] CC(=O)N1CCC[C@@H]1c1nc(C)cc(CC[*:1])n1
CCOC(=O)c1cccc(S(=O)(=O)N(C(C)C)C2CCC2)c1 C1CC(C1)[*:1] CCOC(=O)c1cccc(c1)S(=O)(=O)N(C(C)C)[*:1]
CCOC(=O)c1cccc(S(=O)(=O)N(C(C)C)C2CCC2)c1 CCOC(=O)[*:1] CC(C)N(C1CCC1)S(=O)(=O)c1cccc(c1)[*:1]
CCOC(=O)c1cccc(S(=O)(=O)N(C(C)C)C2CCC2)c1 CC(C)[*:1] CCOC(=O)c1cccc(c1)S(=O)(=O)N(C1CCC1)[*:1]
CC[C@H](C)Nc1ncnc(N2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H](C)Nc1ncnc(c1[*:1])N1CCC(CC1)C(=O)[O-]
CC[C@H](C)Nc1ncnc(N2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-] CC[C@H](C)N[*:1] O=C([O-])C1CCN(CC1)c1ncnc(c1[N+](=O)[O-])[*:1]
CC[C@H](C)Nc1ncnc(N2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-] O=C([O-])[*:1] CC[C@H](C)Nc1ncnc(c1[N+](=O)[O-])N1CCC(CC1)[*:1]
CC[C@H](C)Nc1ncnc(N2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-] CC[C@H](C)[*:1] O=C([O-])C1CCN(CC1)c1ncnc(N[*:1])c1[N+](=O)[O-]
CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(OC)cc2)CC1 CCOc1ccccc1[*:1] COc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)[*:1]
CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(OC)cc2)CC1 CCO[*:1] COc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)c1ccccc1[*:1]
COCCOc1ccc(-n2cc(C#N)c([O-])nc2=O)cc1 COCCO[*:1] N#Cc1cn(-c2ccc(cc2)[*:1])c(=O)nc1[O-]
COCCOc1ccc(-n2cc(C#N)c([O-])nc2=O)cc1 COCC[*:1] N#Cc1cn(-c2ccc(cc2)O[*:1])c(=O)nc1[O-]
COCCOc1ccc(-n2cc(C#N)c([O-])nc2=O)cc1 COC[*:1] N#Cc1cn(-c2ccc(cc2)OC[*:1])c(=O)nc1[O-]
CCCCc1nnc(NC(=O)Cc2cn3ccsc3n2)s1 CCCC[*:1] O=C(Cc1cn2ccsc2n1)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)Cc2cn3ccsc3n2)s1 CCC[*:1] O=C(Cc1cn2ccsc2n1)Nc1nnc(C[*:1])s1
O=C(NC[C@@H]1Cc2ccccc2O1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)N1CCN(CC1)[*:1]
CC/[NH+]=C(/NCC1CC1)N[C@@H]1C[C@H]1c1ccccc1F C1CC1C[*:1] CC/[NH+]=C(\N[C@@H]1C[C@H]1c1ccccc1F)N[*:1]
CC/[NH+]=C(/NCC1CC1)N[C@@H]1C[C@H]1c1ccccc1F C1CC1[*:1] CC/[NH+]=C(/NC[*:1])N[C@@H]1C[C@H]1c1ccccc1F
COc1nc(C)cc(C)c1CNC(=O)N(C)Cc1ccccn1 c1ccc(nc1)[*:1] COc1nc(C)cc(C)c1CNC(=O)N(C)C[*:1]
COc1nc(C)cc(C)c1CNC(=O)N(C)Cc1ccccn1 c1ccc(C[*:1])nc1 COc1nc(C)cc(C)c1CNC(=O)N(C)[*:1]
O=C(c1ccc(F)cc1)N1CCC([C@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(F)cc1)N1CCC(CC1)[C@H]1CC=CCN(C1=O)[*:1]
O=C(c1ccc(F)cc1)N1CCC([C@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(F)cc1)N1CCC(CC1)[C@H]1CC=CCN(C[*:1])C1=O
O=C(c1ccc(F)cc1)N1CCC([C@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 Fc1ccc(cc1)[*:1] O=C1[C@H](CC=CCN1Cc1ccccc1)C1CCN(CC1)C(=O)[*:1]
CCOc1ccccc1N1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)CC1 CC(C)(C)[*:1] CCOc1ccccc1N1CCN(CC1)c1ccc(NC(=O)[*:1])c(c1)C(=O)[O-]
CCOc1ccccc1N1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)CC1 O=C([O-])[*:1] CCOc1ccccc1N1CCN(CC1)c1ccc(NC(=O)C(C)(C)C)c(c1)[*:1]
CCOc1ccccc1N1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)CC1 CCOc1ccccc1[*:1] CC(C)(C)C(=O)Nc1ccc(cc1C(=O)[O-])N1CCN(CC1)[*:1]
CCOc1ccccc1N1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)CC1 CCO[*:1] CC(C)(C)C(=O)Nc1ccc(cc1C(=O)[O-])N1CCN(CC1)c1ccccc1[*:1]
CCOc1ccccc1N1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)CC1 CC(C)(C)C(=O)N[*:1] CCOc1ccccc1N1CCN(CC1)c1ccc(c(c1)C(=O)[O-])[*:1]
CCc1nn(C)c(Cl)c1CN1CCC[C@@H]1c1nc(-c2ccccn2)no1 c1ccc(nc1)[*:1] CCc1nn(C)c(Cl)c1CN1CCC[C@@H]1c1nc(no1)[*:1]
COc1ccccc1CC(=O)NNC(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] COc1ccccc1CC(=O)NNC(=O)N[*:1]
COc1ccccc1CC(=O)NNC(=O)Nc1cccc(C#N)c1 COc1ccccc1[*:1] N#Cc1cccc(c1)NC(=O)NNC(=O)C[*:1]
CC(=O)Nc1cc(C(=O)Nc2ccnn2C[C@H]2CCOC2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccnn1C[C@H]1CCOC1
C[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(nc1)[*:1] C[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(c1)OC[*:1]
C[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(CO[*:1])nc1 C[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(c1)[*:1]
C[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(C[*:1])nc1 C[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(c1)O[*:1]
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cc3ccccc3o2)c1 CCN(CC)S(=O)(=O)[*:1] CN(C)c1ccc(cc1NC(=O)c1cc2ccccc2o1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cc3ccccc3o2)c1 c1ccc2oc(cc2c1)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)[*:1])N(C)C
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cc3ccccc3o2)c1 CN(C)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c1cc2ccccc2o1)[*:1]
COC(=O)[C@H]1c2ccsc2CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] COC(=O)[C@H]1c2ccsc2CCN1S(=O)(=O)c1cc(ccc1C)[*:1]
COC(=O)[C@H]1c2ccsc2CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C COC(=O)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCc2sccc2[C@@H]1[*:1])[N+](=O)[O-]
CSCCC(=O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 c1cnc(nc1)[*:1] CSCCC(=O)N1CC[C@H](C1)C1CCN(CC1)[*:1]
CSCCC(=O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 CSC[*:1] O=C(C[*:1])N1CC[C@H](C1)C1CCN(CC1)c1ncccn1
CSCCC(=O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 CSCC[*:1] O=C(N1CC[C@H](C1)C1CCN(CC1)c1ncccn1)[*:1]
CC(C)(C)c1nnc(NC(=O)c2ccc3c(c2)NC(=O)CS3)s1 CC(C)(C)[*:1] O=C1CSc2ccc(cc2N1)C(=O)Nc1nnc(s1)[*:1]
C[C@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccc2c(c1)OCCO2 FC(F)(F)[*:1] C[C@H](NC(=O)N[C@H]1CCN(C1)C[*:1])c1ccc2OCCOc2c1
C[C@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccc2c(c1)OCCO2 FC(F)(F)C[*:1] C[C@H](NC(=O)N[C@H]1CCN(C1)[*:1])c1ccc2OCCOc2c1
Cc1ccc(C)c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)[N-]S(=O)(=O)c1c(F)cccc1[*:1]
CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)c2oc3ccccc3c2C)C1 CC(=O)N[*:1] Cc1c(oc2ccccc12)[C@H](C)NC(=O)N1CCC[C@@H](C1)[*:1]
O=C(Cc1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] O=C(COC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(Cc1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Cc1ccccc1)OCC(=O)c1cccc(c1)[*:1]
O=C(Cc1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(C[*:1])OCC(=O)c1cccc(c1)[N+](=O)[O-]
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NC3=NCCS3)c12 C1CC1[*:1] Cc1nn(c2nc(cc(C(=O)NC3=NCCS3)c12)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 CCCCNC(=O)[*:1] CN(C)C(=O)c1ccc2c(c1)N(C[*:1])C(=O)[C@@H]1CCCCN21
CCCCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 CCCC[*:1] CN(C)C(=O)c1ccc2c(c1)N(CC(=O)N[*:1])C(=O)[C@@H]1CCCCN21
CCCCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 CN(C)C(=O)[*:1] CCCCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)[*:1]
CCCCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 CCCCNC(=O)C[*:1] CN(C)C(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCCCN21)[*:1]
CCCCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 CCC[*:1] CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NC[*:1])C(=O)[C@@H]1CCCCN21
O=C(COc1ccc(F)c(F)c1)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(COc1ccc(F)c(F)c1)Nc1ccccc1[*:1]
COc1ccc(F)cc1[C@@H](C)NC(=O)CN1CCSC1=O O=C1SCCN1C[*:1] COc1ccc(F)cc1[C@@H](C)NC(=O)[*:1]
COc1ccc(F)cc1[C@@H](C)NC(=O)CN1CCSC1=O O=C1SCCN1[*:1] COc1ccc(F)cc1[C@@H](C)NC(=O)C[*:1]
CCOc1ccc(/C=N/NC2=NC=NC3=NC=N[C@H]32)cc1 CCO[*:1] C1=NC2=NC=N[C@H]2C(=N1)N/N=C/c1ccc(cc1)[*:1]
CCCCc1cc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)[nH]n1 CCCC[*:1] C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cc(n[nH]1)[*:1])C2=O
CCCCc1cc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)[nH]n1 CCC[*:1] C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cc(C[*:1])n[nH]1)C2=O
Cc1cc2nnc(SCC(=O)N(C)CC(F)(F)F)n2c(C)n1 FC(F)(F)[*:1] Cc1cc2nnc(SCC(=O)N(C)C[*:1])n2c(C)n1
Cc1cc2nnc(SCC(=O)N(C)CC(F)(F)F)n2c(C)n1 FC(F)(F)C[*:1] Cc1cc2nnc(SCC(=O)N(C)[*:1])n2c(C)n1
Cc1ccc(C(=O)NC[C@H](O)COc2cccc(F)c2)c(=O)[nH]1 Fc1cccc(c1)[*:1] Cc1ccc(C(=O)NC[C@H](O)CO[*:1])c(=O)[nH]1
CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H](C)c2cnn(C)c2)C1(C)C Cn1cc(cn1)[*:1] CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H](C)[*:1])C1(C)C
CCOc1ccccc1-c1nc(CN2CCNC(=O)[C@H]2c2ccc(F)cc2)c(C)o1 Fc1ccc(cc1)[*:1] CCOc1ccccc1-c1nc(CN2CCNC(=O)[C@@H]2[*:1])c(C)o1
CCOc1ccccc1-c1nc(CN2CCNC(=O)[C@H]2c2ccc(F)cc2)c(C)o1 CCOc1ccccc1[*:1] Cc1oc(nc1CN1CCNC(=O)[C@H]1c1ccc(F)cc1)[*:1]
CCOc1ccccc1-c1nc(CN2CCNC(=O)[C@H]2c2ccc(F)cc2)c(C)o1 CCO[*:1] Cc1oc(nc1CN1CCNC(=O)[C@H]1c1ccc(F)cc1)-c1ccccc1[*:1]
C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)C(=O)NCCO OCC[*:1] C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)C(=O)N[*:1]
COC(=O)CSc1nnc(COc2ccccc2)o1 COC(=O)[*:1] c1ccc(cc1)OCc1nnc(o1)SC[*:1]
COC(=O)CSc1nnc(COc2ccccc2)o1 c1ccc(cc1)[*:1] COC(=O)CSc1nnc(CO[*:1])o1
COC(=O)CSc1nnc(COc2ccccc2)o1 COC(=O)C[*:1] c1ccc(cc1)OCc1nnc(o1)S[*:1]
COC(=O)CSc1nnc(COc2ccccc2)o1 COC(=O)CS[*:1] c1ccc(cc1)OCc1nnc(o1)[*:1]
O=C(Nc1ccc(F)c(F)c1F)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(F)c1F)N[C@H](CO)[*:1]
O=C(CCSCc1cn2ccccc2n1)NNC(=O)c1cc2c(s1)CCCCC2 c1ccn2cc(nc2c1)[*:1] O=C(CCSC[*:1])NNC(=O)c1cc2CCCCCc2s1
COCc1nsc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 FC(F)(F)[*:1] COCc1nsc(n1)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
COCc1nsc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 COC[*:1] FC(F)(F)c1ccc(nc1)O[C@H]1CCN(C1)c1nc(ns1)[*:1]
COCc1nsc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 COCc1nsc(n1)[*:1] FC(F)(F)c1ccc(nc1)O[C@H]1CCN(C1)[*:1]
CC(C)(CCl)C(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 CC(C)(CCl)[*:1] O=C(N1CCCSC[C@H]1C[NH+]1CCCC1)[*:1]
CCn1cc(Cl)c(C(=O)NCCN2CCOCC2)n1 C1CN(CCO1)[*:1] CCn1cc(Cl)c(n1)C(=O)NCC[*:1]
Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)CC(F)(F)F)C3)c2)c1 FC(F)(F)[*:1] Cc1cccc(c1)-c1cccc(c1)NC(=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)CC(F)(F)F)C3)c2)c1 Cc1cccc(c1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CCCN(C1)C(=O)CC(F)(F)F
Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)CC(F)(F)F)C3)c2)c1 FC(F)(F)C[*:1] Cc1cccc(c1)-c1cccc(c1)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)(C)C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1 CC(C)(C)[*:1] NS(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](C[*:1])c1ccccc1
CC(C)(C)C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1 CC(C)(C)C[*:1] NS(=O)(=O)N1CCC(CC1)C(=O)N[C@H](c1ccccc1)[*:1]
CC(C)(C)C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C[C@H](NC(=O)C1CCN(CC1)S(N)(=O)=O)[*:1]
CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)COC3=O)cc1 CC[C@@H](C)O[*:1] O=C(NC(=S)Nc1ccc2C(=O)OCc2c1)c1ccc(cc1)[*:1]
COC[C@H](C)NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 COC[C@H](C)[*:1] O=C(Nc1ccnn1Cc1ccc(Br)cc1)N[*:1]
COC[C@H](C)NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 COC[*:1] C[C@H](NC(=O)Nc1ccnn1Cc1ccc(Br)cc1)[*:1]
COC[C@H](C)NC(=O)Nc1ccnn1Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COC[C@H](C)NC(=O)Nc1ccnn1C[*:1]
O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CC(Oc2ccccc2Cl)C1 C1CCC(C1)[*:1] O=C([C@@H]1CCC(=O)N(C1)[*:1])N1CC(C1)Oc1ccccc1Cl
O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CC(Oc2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C([C@@H]1CCC(=O)N(C1)C1CCCC1)N1CC(C1)O[*:1]
O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CC(Oc2ccccc2Cl)C1 Clc1ccccc1O[*:1] O=C([C@@H]1CCC(=O)N(C1)C1CCCC1)N1CC(C1)[*:1]
O=C(NCc1ccccc1)c1ccc2c(=O)c(S(=O)(=O)c3ccccc3)c([O-])[nH]c2c1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc2c(=O)c(c([O-])[nH]c2c1)S(=O)(=O)c1ccccc1
O=C(NCc1ccccc1)c1ccc2c(=O)c(S(=O)(=O)c3ccccc3)c([O-])[nH]c2c1 O=S(=O)(c1ccccc1)[*:1] O=C(NCc1ccccc1)c1ccc2c(=O)c(c([O-])[nH]c2c1)[*:1]
O=C(NCc1ccccc1)c1ccc2c(=O)c(S(=O)(=O)c3ccccc3)c([O-])[nH]c2c1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc2c(=O)c(c([O-])[nH]c2c1)S(=O)(=O)c1ccccc1
O=C(NCc1ccccc1)c1ccc2c(=O)c(S(=O)(=O)c3ccccc3)c([O-])[nH]c2c1 O=C(NCc1ccccc1)[*:1] O=c1c(c([O-])[nH]c2cc(ccc12)[*:1])S(=O)(=O)c1ccccc1
O=C(NCc1ccccc1)c1ccc2c(=O)c(S(=O)(=O)c3ccccc3)c([O-])[nH]c2c1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1)c1ccc2c(=O)c(c([O-])[nH]c2c1)S(=O)(=O)[*:1]
O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] O=C(OC[*:1])[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1
O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)O[*:1])c1ccc(Cl)cc1
O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1
NC(=O)[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 NC(=O)[*:1] O=C(c1cc(F)cc(F)c1)N1CCC[C@@H](C1)[*:1]
N#C[C@@H](C(=O)c1cccc(-n2cnnn2)c1)c1nnc2n1CCCCC2 c1nnnn1[*:1] N#C[C@@H](C(=O)c1cccc(c1)[*:1])c1nnc2CCCCCn21
CC[C@H](CCO)CNc1cccc(F)c1N OCC[*:1] CC[C@H](CNc1cccc(F)c1N)[*:1]
COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccc([C@H]3CCC[NH2+]3)s1)C2 COC(=O)[*:1] O=C(c1ccc(s1)[C@H]1CCC[NH2+]1)N1CCCn2nc(cc2C1)[*:1]
Cc1c(-c2ccccc2)sc(NC(=O)c2ccccc2S(C)(=O)=O)c1C(=O)N1CCCCC1 c1ccc(cc1)[*:1] Cc1c(sc(NC(=O)c2ccccc2S(C)(=O)=O)c1C(=O)N1CCCCC1)[*:1]
Cc1c(-c2ccccc2)sc(NC(=O)c2ccccc2S(C)(=O)=O)c1C(=O)N1CCCCC1 CS(=O)(=O)[*:1] Cc1c(sc(NC(=O)c2ccccc2[*:1])c1C(=O)N1CCCCC1)-c1ccccc1
Cc1c(-c2ccccc2)sc(NC(=O)c2ccccc2S(C)(=O)=O)c1C(=O)N1CCCCC1 CS(=O)(=O)c1ccccc1[*:1] Cc1c(sc(NC(=O)[*:1])c1C(=O)N1CCCCC1)-c1ccccc1
Cc1c(-c2ccccc2)sc(NC(=O)c2ccccc2S(C)(=O)=O)c1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] Cc1c(sc(NC(=O)c2ccccc2S(C)(=O)=O)c1[*:1])-c1ccccc1
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N(C)CCn1cnnc1 c1nncn1CC[*:1] CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N(C)[*:1]
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N(C)CCn1cnnc1 c1nncn1[*:1] CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N(C)CC[*:1]
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N(C)CCn1cnnc1 c1nncn1C[*:1] CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N(C)C[*:1]
COc1ccc(F)c(NC(=O)N2CCC[C@@H](CCO)C2)c1 OCC[*:1] COc1ccc(F)c(c1)NC(=O)N1CCC[C@@H](C1)[*:1]
CCC[C@@H](C)C(=O)NC1CCN(c2cccc(F)c2)CC1 CCC[*:1] C[C@@H](C(=O)NC1CCN(CC1)c1cccc(F)c1)[*:1]
CCC[C@@H](C)C(=O)NC1CCN(c2cccc(F)c2)CC1 CCC[C@@H](C)[*:1] O=C(NC1CCN(CC1)c1cccc(F)c1)[*:1]
CCC[C@@H](C)C(=O)NC1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CCC[C@@H](C)C(=O)NC1CCN(CC1)[*:1]
CN1C(=O)C[C@@H](C(=O)NCC[NH+]2CCCCC2)[C@H]1c1cccnc1 c1cncc(c1)[*:1] CN1C(=O)C[C@@H](C(=O)NCC[NH+]2CCCCC2)[C@@H]1[*:1]
Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3cccc4cccnc34)c2n1 c1cnc2c(cccc2c1)[*:1] Cc1cc(C)c2c3ccccc3n(CCNC(=O)[*:1])c2n1
CC(=O)N[C@@H](CC(=O)NCc1ccco1)c1ccc(Cl)cc1 c1coc(c1)[*:1] CC(=O)N[C@@H](CC(=O)NC[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)NCc1ccco1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)NCc1ccco1)[*:1]
CC(=O)N[C@@H](CC(=O)NCc1ccco1)c1ccc(Cl)cc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccc(Cl)cc1)[*:1])NCc1ccco1
CC(=O)N[C@@H](CC(=O)NCc1ccco1)c1ccc(Cl)cc1 c1coc(c1)C[*:1] CC(=O)N[C@@H](CC(=O)N[*:1])c1ccc(Cl)cc1
Cn1ccnc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1=O Clc1ccc(cc1)[*:1] Cn1ccnc(NC[C@@H]([NH+](C)C)[*:1])c1=O
O=C(CCNC(=O)c1ccc(F)cc1F)NC[C@@H](O)c1ccco1 Fc1ccc(c(F)c1)[*:1] O=C(CCNC(=O)[*:1])NC[C@@H](O)c1ccco1
O=C(CCNC(=O)c1ccc(F)cc1F)NC[C@@H](O)c1ccco1 c1coc(c1)[*:1] O=C(CCNC(=O)c1ccc(F)cc1F)NC[C@@H](O)[*:1]
C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2cscn2)CC1 O=C(NC1CC1)[*:1] C[C@H](N1CCN(CC1)C(=O)NCc1cscn1)[*:1]
C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2cscn2)CC1 C1CC1[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)NCc1cscn1
C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2cscn2)CC1 c1nc(cs1)C[*:1] C[C@H](C(=O)NC1CC1)N1CCN(CC1)C(=O)N[*:1]
C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2cscn2)CC1 c1nc(cs1)[*:1] C[C@H](C(=O)NC1CC1)N1CCN(CC1)C(=O)NC[*:1]
Cc1c(C(=O)[O-])cnn1[C@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] Cc1c(cnn1[C@H]1CCS(=O)(=O)C1)[*:1]
CCC[C@H](C)NC(=O)[C@H](C)Nc1c(C)nn(-c2ccccc2)c1C CCC[*:1] Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C)C(=O)N[C@@H](C)[*:1]
CCC[C@H](C)NC(=O)[C@H](C)Nc1c(C)nn(-c2ccccc2)c1C CCC[C@H](C)[*:1] Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C)C(=O)N[*:1]
CCC[C@H](C)NC(=O)[C@H](C)Nc1c(C)nn(-c2ccccc2)c1C CCC[C@H](C)NC(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C)[*:1]
CCC[C@H](C)NC(=O)[C@H](C)Nc1c(C)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] CCC[C@H](C)NC(=O)[C@H](C)Nc1c(C)nn(c1C)[*:1]
CC(C)(C)NC(=O)CNC(=O)N1CCN(c2cccc(Cl)c2)CC1 CC(C)(C)NC(=O)[*:1] O=C(NC[*:1])N1CCN(CC1)c1cccc(Cl)c1
CC(C)(C)NC(=O)CNC(=O)N1CCN(c2cccc(Cl)c2)CC1 CC(C)(C)[*:1] O=C(CNC(=O)N1CCN(CC1)c1cccc(Cl)c1)N[*:1]
CC(C)(C)NC(=O)CNC(=O)N1CCN(c2cccc(Cl)c2)CC1 CC(C)(C)NC(=O)C[*:1] O=C(N[*:1])N1CCN(CC1)c1cccc(Cl)c1
CC(C)(C)NC(=O)CNC(=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC(C)(C)NC(=O)CNC(=O)N1CCN(CC1)[*:1]
CC[C@H](C)N(C)C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CC[C@H](C)N(C)C(=O)c1ccnc(c1)[*:1]
CC[C@H](C)N(C)C(=O)c1ccnc(OC(C)(C)C)c1 CC[C@H](C)[*:1] CN(C(=O)c1ccnc(c1)OC(C)(C)C)[*:1]
CC[C@H](C)N(C)C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CC[C@H](C)N(C)C(=O)c1ccnc(c1)O[*:1]
COc1cc(OC)cc(C(=O)OCC(=O)Nc2cccnc2Cl)c1 Clc1ncccc1[*:1] COc1cc(cc(c1)C(=O)OCC(=O)N[*:1])OC
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cnccn1 C=CC[*:1] Cc1cc(C)c(NC(=O)CSc2nnc(-c3cnccn3)n2[*:1])c(C)c1
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cnccn1 Cc1cc(C)c(c(C)c1)[*:1] C=CCn1c(nnc1-c1cnccn1)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cnccn1 c1cnc(cn1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1c(C)cc(C)cc1C
CCOC(=O)CC[C@H]1CCCN(C(=O)c2scnc2C2CC2)C1 CCOC(=O)CC[*:1] O=C(c1scnc1C1CC1)N1CCC[C@@H](C1)[*:1]
CCOC(=O)CC[C@H]1CCCN(C(=O)c2scnc2C2CC2)C1 CCOC(=O)C[*:1] O=C(c1scnc1C1CC1)N1CCC[C@@H](C1)C[*:1]
CCOC(=O)CC[C@H]1CCCN(C(=O)c2scnc2C2CC2)C1 CCOC(=O)[*:1] O=C(c1scnc1C1CC1)N1CCC[C@H](CC[*:1])C1
CCOC(=O)CC[C@H]1CCCN(C(=O)c2scnc2C2CC2)C1 C1CC1[*:1] CCOC(=O)CC[C@H]1CCCN(C1)C(=O)c1scnc1[*:1]
Cc1ccc(-c2ccc(C(=O)NCCS(=O)(=O)C(C)(C)C)c(F)c2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)-c1ccc(C(=O)NCCS(=O)(=O)[*:1])c(F)c1
Cc1ccc(-c2ccc(C(=O)NCCS(=O)(=O)C(C)(C)C)c(F)c2)cc1 CC(C)(C)S(=O)(=O)C[*:1] Cc1ccc(cc1)-c1ccc(C(=O)NC[*:1])c(F)c1
Cc1ccc(-c2ccc(C(=O)NCCS(=O)(=O)C(C)(C)C)c(F)c2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)S(=O)(=O)CCNC(=O)c1ccc(cc1F)[*:1]
Cc1ccc(-c2ccc(C(=O)NCCS(=O)(=O)C(C)(C)C)c(F)c2)cc1 CC(C)(C)S(=O)(=O)[*:1] Cc1ccc(cc1)-c1ccc(C(=O)NCC[*:1])c(F)c1
CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCC2(CC1)OCCO2 c1ccc(cc1)[*:1] CCc1c(nc2ccccc2c1C(=O)N1CCC2(CC1)OCCO2)[*:1]
Cc1nnc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)s1 Cc1nnc(s1)[*:1] NC(=O)[C@H](CN[*:1])Cc1ccc(F)cc1
Cc1nnc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)s1 NC(=O)[*:1] Cc1nnc(NC[C@H](Cc2ccc(F)cc2)[*:1])s1
Cc1ccc(-c2nc(CNC(=O)COc3ccc(F)cc3F)co2)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)CO[*:1]
Cc1ccc(-c2nc(CNC(=O)COc3ccc(F)cc3F)co2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(F)cc1F)NCc1coc(n1)[*:1]
C1CC[NH+](CCSc2nnnn2C[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] C1CC[NH+](CC1)CCSc1nnnn1C[*:1]
C1CC[NH+](CCSc2nnnn2C[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] C1CC[NH+](CC1)CCSc1nnnn1[*:1]
Cc1cc(NC(=O)c2cnns2)ccc1Br c1nnsc1[*:1] Cc1cc(ccc1Br)NC(=O)[*:1]
CC(=O)c1cccc(N[C@H](C)c2cc(F)ccc2F)c1 CC(=O)[*:1] C[C@@H](Nc1cccc(c1)[*:1])c1cc(F)ccc1F
CS(=O)(=O)[C@H]1CCC[C@H]([C@H](O)c2ccc(Cl)c(F)c2)C1 CS(=O)(=O)[*:1] O[C@H](c1ccc(Cl)c(F)c1)[C@H]1CCC[C@@H](C1)[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] CC(C)N(C[C@H](C)O)C(=O)Nc1cnn(c1)-c1cccc(c1)[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 CC(C)[*:1] C[C@H](O)CN(C(=O)Nc1cnn(c1)-c1cccc(c1)C(F)(F)F)[*:1]
CN(CCCOc1ccc(C#N)cc1)Cc1nc2ccccc2n1C N#Cc1ccc(cc1)[*:1] CN(CCCO[*:1])Cc1nc2ccccc2n1C
O=C(/C=C/SCc1ccco1)N[C@H]1CCc2c(O)cccc21 c1coc(c1)[*:1] O=C(/C=C/SC[*:1])N[C@H]1CCc2c(O)cccc21
O=C(/C=C/SCc1ccco1)N[C@H]1CCc2c(O)cccc21 c1coc(c1)CS[*:1] O=C(C=C[*:1])N[C@H]1CCc2c(O)cccc21
O=C(/C=C/SCc1ccco1)N[C@H]1CCc2c(O)cccc21 c1coc(c1)C[*:1] O=C(/C=C/S[*:1])N[C@H]1CCc2c(O)cccc21
CCN(CC1CC1)C(=O)Cc1ccc[nH]1 C1CC1[*:1] CCN(C[*:1])C(=O)Cc1ccc[nH]1
CCN(CC1CC1)C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] CCN(CC1CC1)C(=O)C[*:1]
CCN(CC1CC1)C(=O)Cc1ccc[nH]1 C1CC1C[*:1] CCN(C(=O)Cc1ccc[nH]1)[*:1]
CC(C)c1ccc([C@@H](O)CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC(C)c1ccc(cc1)[C@@H](O)CNC(=O)[C@@H](C)O[*:1]
CC(C)c1ccc([C@@H](O)CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 Clc1cccc(c1)O[*:1] CC(C)c1ccc(cc1)[C@@H](O)CNC(=O)[C@@H](C)[*:1]
CC(C)c1ccc([C@@H](O)CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 CC(C)[*:1] C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](O)c1ccc(cc1)[*:1]
Cc1ccc(-c2noc3c(NCc4ccco4)nc(C)nc23)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-c1noc2c(nc(C)nc12)NC[*:1]
Cc1ccc(-c2noc3c(NCc4ccco4)nc(C)nc23)cc1 Cc1ccc(cc1)[*:1] Cc1nc(NCc2ccco2)c2onc(c2n1)[*:1]
Cc1ccc(-c2noc3c(NCc4ccco4)nc(C)nc23)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)-c1noc2c(nc(C)nc12)N[*:1]
Cc1ccc(-c2noc3c(NCc4ccco4)nc(C)nc23)cc1 c1coc(c1)CN[*:1] Cc1ccc(cc1)-c1noc2c(nc(C)nc12)[*:1]
CC(C)(C[S@@](=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] CC(C)(C)[*:1] CC(C)(C[S@@](=O)c1ccc(cc1)[*:1])C(=O)[O-]
CC(C)(C[S@@](=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] O=C([O-])[*:1] CC(C)(C)c1ccc(cc1)[S@](=O)CC(C)(C)[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C(\CC(=O)[O-])c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] Cc1nn(c(C)c1C=C(CC(=O)[O-])[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C(\CC(=O)[O-])c1nc2ccccc2s1 O=C([O-])[*:1] Cc1nn(c(C)c1/C=C(\C[*:1])c1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1
CC(=O)c1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1C CC(=O)[*:1] Cc1ccc2ncc(C(=O)Nc3ccc(c(C)c3)[*:1])c(=O)n2c1
N#C/C(=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1ccccc1 O=[N+]([O-])[*:1] N#C/C(=C/c1c[nH]nc1-c1cccc(c1)[*:1])c1ccccc1
N#C/C(=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C/c1c[nH]nc1-c1cccc(c1)[N+](=O)[O-])[*:1]
O=C(NNc1cccnn1)N[C@H](c1ccc(Cl)cc1)C1CCC1 c1cnnc(c1)[*:1] O=C(NN[*:1])N[C@H](c1ccc(Cl)cc1)C1CCC1
O=C(NNc1cccnn1)N[C@H](c1ccc(Cl)cc1)C1CCC1 Clc1ccc(cc1)[*:1] O=C(NNc1cccnn1)N[C@H](C1CCC1)[*:1]
O=C(NNc1cccnn1)N[C@H](c1ccc(Cl)cc1)C1CCC1 C1CC(C1)[*:1] O=C(NNc1cccnn1)N[C@H](c1ccc(Cl)cc1)[*:1]
COCCS(=O)(=O)NC1(c2ccc(Cl)cc2)CCCC1 COCC[*:1] O=S(=O)(NC1(CCCC1)c1ccc(Cl)cc1)[*:1]
COCCS(=O)(=O)NC1(c2ccc(Cl)cc2)CCCC1 COC[*:1] O=S(=O)(C[*:1])NC1(CCCC1)c1ccc(Cl)cc1
CN(C)C(=O)[C@@H]1CCCN(C(=O)COCCc2ccccc2)C1 CN(C)C(=O)[*:1] O=C(COCCc1ccccc1)N1CCC[C@H](C1)[*:1]
CN(C)C(=O)[C@@H]1CCCN(C(=O)COCCc2ccccc2)C1 c1ccc(cc1)C[*:1] CN(C)C(=O)[C@@H]1CCCN(C1)C(=O)COC[*:1]
CN(C)C(=O)[C@@H]1CCCN(C(=O)COCCc2ccccc2)C1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H]1CCCN(C1)C(=O)COCC[*:1]
C[C@@H](c1ccccc1Cl)N(C(=O)c1cnc2ccccn2c1=O)C1CC1 C1CC1[*:1] C[C@@H](c1ccccc1Cl)N(C(=O)c1cnc2ccccn2c1=O)[*:1]
C[C@@H](c1ccccc1Cl)N(C(=O)c1cnc2ccccn2c1=O)C1CC1 Clc1ccccc1[*:1] C[C@@H](N(C(=O)c1cnc2ccccn2c1=O)C1CC1)[*:1]
CCOC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 CCOC(=O)[C@@H](C)O[*:1] Cc1cc(Cl)ccc1NC(=O)c1ccc(cc1)[*:1]
CCOC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 Cc1cc(Cl)ccc1[*:1] CCOC(=O)[C@@H](C)Oc1ccc(cc1)C(=O)N[*:1]
CCOC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 CCOC(=O)[*:1] Cc1cc(Cl)ccc1NC(=O)c1ccc(cc1)O[C@H](C)[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NC3CCCCCC3)c2)n1 C1CCCC(CC1)[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)N[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NC3CCCCCC3)c2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1cccc(c1)[*:1])NC1CCCCCC1
Cc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1C C1CN(CCO1)[*:1] Cc1ccc(cc1C)C(=O)Nc1ccc(cc1)-c1csc(n1)[*:1]
Cc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1ccc(cc1)-c1csc(n1)N1CCOCC1)[*:1]
COc1ccc(OC)c(NCCSc2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NCCS[*:1]
O=C(CS(=O)(=O)Cc1noc(-c2ccsc2)n1)Nc1cc(F)cc(F)c1 c1cc(cs1)[*:1] O=C(CS(=O)(=O)Cc1noc(n1)[*:1])Nc1cc(F)cc(F)c1
O=C(CS(=O)(=O)Cc1noc(-c2ccsc2)n1)Nc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C(CS(=O)(=O)Cc1noc(n1)-c1ccsc1)N[*:1]
CN(CCc1ccccn1)C(=O)NC1(CC(=O)[O-])CCC1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)NC1(CCC1)CC(=O)[O-]
CN(CCc1ccccn1)C(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])C[*:1] CN(CCc1ccccn1)C(=O)NC1(CCC1)[*:1]
CN(CCc1ccccn1)C(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])[*:1] CN(CCc1ccccn1)C(=O)NC1(CCC1)C[*:1]
CN(CCc1ccccn1)C(=O)NC1(CC(=O)[O-])CCC1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)NC1(CCC1)CC(=O)[O-]
CCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C CCC(=O)N[*:1] CC(C)CCN1C(=O)CCc2cc(ccc21)[*:1]
CCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C CC(C)[*:1] CCC(=O)Nc1ccc2c(c1)CCC(=O)N2CC[*:1]
CCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C CC(C)C[*:1] CCC(=O)Nc1ccc2c(c1)CCC(=O)N2C[*:1]
CCC(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C CC(C)CC[*:1] CCC(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CN(c1ccccc1)c1ccccc1C(=O)NCC(=O)OC(C)(C)C CC(C)(C)[*:1] CN(c1ccccc1)c1ccccc1C(=O)NCC(=O)O[*:1]
CN(c1ccccc1)c1ccccc1C(=O)NCC(=O)OC(C)(C)C CC(C)(C)OC(=O)[*:1] CN(c1ccccc1)c1ccccc1C(=O)NC[*:1]
CN(c1ccccc1)c1ccccc1C(=O)NCC(=O)OC(C)(C)C CN(c1ccccc1)[*:1] CC(C)(C)OC(=O)CNC(=O)c1ccccc1[*:1]
CN(c1ccccc1)c1ccccc1C(=O)NCC(=O)OC(C)(C)C c1ccc(cc1)[*:1] CN(c1ccccc1C(=O)NCC(=O)OC(C)(C)C)[*:1]
CN(c1ccccc1)c1ccccc1C(=O)NCC(=O)OC(C)(C)C CC(C)(C)OC(=O)C[*:1] CN(c1ccccc1)c1ccccc1C(=O)N[*:1]
CC(=O)CC(=O)Nc1ccc(C2=NCCO2)cc1 CC(=O)C[*:1] O=C(Nc1ccc(cc1)C1=NCCO1)[*:1]
CC(=O)CC(=O)Nc1ccc(C2=NCCO2)cc1 CC(=O)[*:1] O=C(C[*:1])Nc1ccc(cc1)C1=NCCO1
COc1cncc(N2CCN(C(=O)Cc3cc(F)ccc3F)CC2)n1 Fc1ccc(F)c(c1)[*:1] COc1cncc(n1)N1CCN(CC1)C(=O)C[*:1]
COc1cncc(N2CCN(C(=O)Cc3cc(F)ccc3F)CC2)n1 COc1cncc(n1)[*:1] O=C(Cc1cc(F)ccc1F)N1CCN(CC1)[*:1]
O=C(Nc1nc[nH]n1)c1ccccc1O c1nc(n[nH]1)[*:1] O=C(N[*:1])c1ccccc1O
Cn1nc(C(F)(F)F)cc1N=C=S S=C=N[*:1] Cn1nc(cc1[*:1])C(F)(F)F
Cn1nc(C(F)(F)F)cc1N=C=S FC(F)(F)[*:1] Cn1nc(cc1N=C=S)[*:1]
COCCCn1ccc2nc(N3CCN(c4ccc(Cl)cc4)CC3)ncc2c1=O COCC[*:1] O=c1c2cnc(nc2ccn1C[*:1])N1CCN(CC1)c1ccc(Cl)cc1
COCCCn1ccc2nc(N3CCN(c4ccc(Cl)cc4)CC3)ncc2c1=O Clc1ccc(cc1)[*:1] COCCCn1ccc2nc(ncc2c1=O)N1CCN(CC1)[*:1]
COCCCn1ccc2nc(N3CCN(c4ccc(Cl)cc4)CC3)ncc2c1=O COCCC[*:1] O=c1c2cnc(nc2ccn1[*:1])N1CCN(CC1)c1ccc(Cl)cc1
COCCCn1ccc2nc(N3CCN(c4ccc(Cl)cc4)CC3)ncc2c1=O COC[*:1] O=c1c2cnc(nc2ccn1CC[*:1])N1CCN(CC1)c1ccc(Cl)cc1
C#Cc1cc(F)c(NC(=O)c2nn(-c3ccc(C)cc3)cc2O)c(F)c1 Cc1ccc(cc1)[*:1] C#Cc1cc(F)c(NC(=O)c2nn(cc2O)[*:1])c(F)c1
C[C@H](C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)[C@H](C)[*:1]
C[C@H](C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1F)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)[C@H](C)c1ccc(F)cc1
CCOC(=O)CCSc1ccc2c(c1)OCCO2 CCOC(=O)[*:1] c1cc2OCCOc2cc1SCC[*:1]
CCOC(=O)CCSc1ccc2c(c1)OCCO2 CCOC(=O)C[*:1] c1cc2OCCOc2cc1SC[*:1]
[NH3+]CC(=O)NCC(=O)N1CCC(CC(=O)[O-])CC1 [NH3+]CC(=O)N[*:1] O=C([O-])CC1CCN(CC1)C(=O)C[*:1]
[NH3+]CC(=O)NCC(=O)N1CCC(CC(=O)[O-])CC1 [NH3+]CC(=O)NC[*:1] O=C([O-])CC1CCN(CC1)C(=O)[*:1]
[NH3+]CC(=O)NCC(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] [NH3+]CC(=O)NCC(=O)N1CCC(CC1)C[*:1]
[NH3+]CC(=O)NCC(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] [NH3+]CC(=O)NCC(=O)N1CCC(CC1)[*:1]
CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(C)S(=O)(=O)c1cccc(c1)C(=O)/C=C/c1ccccc1[*:1]
CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 CN(C)S(=O)(=O)[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])c1cccc(c1)[*:1]
Cc1ccc([C@H](C)NC(=O)CCCSc2ccccc2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)CCCSc1ccccc1)[*:1]
Cc1ccc([C@H](C)NC(=O)CCCSc2ccccc2)o1 c1ccc(cc1)S[*:1] Cc1ccc(o1)[C@H](C)NC(=O)CCC[*:1]
Cc1ccc([C@H](C)NC(=O)CCCSc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)CCCS[*:1]
COc1cc(C(=O)N(CCC(F)(F)F)C2CCC2)ccc1[N+](=O)[O-] C1CC(C1)[*:1] COc1cc(ccc1[N+](=O)[O-])C(=O)N(CCC(F)(F)F)[*:1]
COc1cc(C(=O)N(CCC(F)(F)F)C2CCC2)ccc1[N+](=O)[O-] FC(F)(F)[*:1] COc1cc(ccc1[N+](=O)[O-])C(=O)N(CC[*:1])C1CCC1
COc1cc(C(=O)N(CCC(F)(F)F)C2CCC2)ccc1[N+](=O)[O-] FC(F)(F)CC[*:1] COc1cc(ccc1[N+](=O)[O-])C(=O)N(C1CCC1)[*:1]
COc1cc(C(=O)N(CCC(F)(F)F)C2CCC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])C(=O)N(CCC(F)(F)F)C1CCC1
COc1cc(C(=O)N(CCC(F)(F)F)C2CCC2)ccc1[N+](=O)[O-] FC(F)(F)C[*:1] COc1cc(ccc1[N+](=O)[O-])C(=O)N(C[*:1])C1CCC1
Cn1nc(C2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)n(C2CC2)c1=O c1nc2cc(ccc2[nH]1)[*:1] Cn1nc(C2CCN(CC2)C(=O)[*:1])n(c1=O)C1CC1
Cn1nc(C2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)n(C2CC2)c1=O C1CC1[*:1] Cn1nc(C2CCN(CC2)C(=O)c2ccc3[nH]cnc3c2)n(c1=O)[*:1]
CC[C@@H](C)n1nccc1NC(C)=O CC[C@@H](C)[*:1] CC(=O)Nc1ccnn1[*:1]
CC[C@@H](C)n1nccc1NC(C)=O CC(=O)N[*:1] CC[C@@H](C)n1nccc1[*:1]
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O Cc1nnnn1[*:1] O=C(N[C@@H]1CCN(C1=O)c1ccccc1)[C@@H](Cc1cccc(F)c1)[*:1]
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CCN(C1=O)[*:1]
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O Fc1cccc(c1)C[*:1] Cc1nnnn1[C@H](C(=O)N[C@@H]1CCN(C1=O)c1ccccc1)[*:1]
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O Fc1cccc(c1)[*:1] Cc1nnnn1[C@H](C[*:1])C(=O)N[C@@H]1CCN(C1=O)c1ccccc1
C[C@H](CC1CCOCC1)[NH2+]C[C@H](O)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H](C[*:1])[NH2+]C[C@H](O)C1CCOCC1
C[C@H](CC1CCOCC1)[NH2+]C[C@H](O)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H](CC1CCOCC1)[NH2+]C[C@H](O)[*:1]
N#C/C(=C/C=C/c1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 C(=C[*:1])c1ccccc1 N#CC(=C[*:1])c1nc(cs1)-c1cc2ccccc2oc1=O
N#C/C(=C/C=C/c1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 c1ccc(cc1)[*:1] N#C/C(=C/C=C[*:1])c1nc(cs1)-c1cc2ccccc2oc1=O
CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 CCO[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1
CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 CCOc1ccccc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1)[*:1]
CNC(=O)Nc1ccc(N[C@H]2CS[C@@H](C)C2)cc1 CNC(=O)N[*:1] C[C@H]1C[C@H](CS1)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)Cc1ccc(N[C@H]2CC(=O)N([C@@H](C)c3cccnc3)C2=O)cc1 C[C@@H](c1cccnc1)[*:1] CC(C)NC(=O)Cc1ccc(cc1)N[C@H]1CC(=O)N(C1=O)[*:1]
CC(C)NC(=O)Cc1ccc(N[C@H]2CC(=O)N([C@@H](C)c3cccnc3)C2=O)cc1 CC(C)NC(=O)[*:1] C[C@@H](c1cccnc1)N1C(=O)C[C@H](Nc2ccc(cc2)C[*:1])C1=O
CC(C)NC(=O)Cc1ccc(N[C@H]2CC(=O)N([C@@H](C)c3cccnc3)C2=O)cc1 CC(C)NC(=O)C[*:1] C[C@@H](c1cccnc1)N1C(=O)C[C@H](Nc2ccc(cc2)[*:1])C1=O
CC(C)NC(=O)Cc1ccc(N[C@H]2CC(=O)N([C@@H](C)c3cccnc3)C2=O)cc1 c1cncc(c1)[*:1] CC(C)NC(=O)Cc1ccc(cc1)N[C@H]1CC(=O)N(C1=O)[C@@H](C)[*:1]
CC(C)NC(=O)Cc1ccc(N[C@H]2CC(=O)N([C@@H](C)c3cccnc3)C2=O)cc1 CC(C)[*:1] C[C@@H](c1cccnc1)N1C(=O)C[C@H](Nc2ccc(cc2)CC(=O)N[*:1])C1=O
O=C([O-])C1CCN(c2nc(-c3ccc(F)cc3)cc(C(F)F)n2)CC1 Fc1ccc(cc1)[*:1] O=C([O-])C1CCN(CC1)c1nc(cc(n1)[*:1])C(F)F
O=C([O-])C1CCN(c2nc(-c3ccc(F)cc3)cc(C(F)F)n2)CC1 FC(F)[*:1] O=C([O-])C1CCN(CC1)c1nc(cc(n1)[*:1])-c1ccc(F)cc1
O=C([O-])C1CCN(c2nc(-c3ccc(F)cc3)cc(C(F)F)n2)CC1 O=C([O-])[*:1] Fc1ccc(cc1)-c1cc(nc(n1)N1CCC(CC1)[*:1])C(F)F
C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCCC[C@H]1C c1cn(cn1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCCC[C@H]1C
Cc1ccc([C@H]2NC(=S)N[C@H](c3ccc(C)cc3)C23C(=O)N(C)C(=O)N(C)C3=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1NC(=S)N[C@@H](C12C(=O)N(C)C(=O)N(C)C2=O)[*:1]
CCCC[C@H](NC(=O)N1CCC(C)(C)C1)C(=O)[O-] CCCC[*:1] CC1(C)CCN(C1)C(=O)N[C@H](C(=O)[O-])[*:1]
CCCC[C@H](NC(=O)N1CCC(C)(C)C1)C(=O)[O-] O=C([O-])[*:1] CCCC[C@H](NC(=O)N1CCC(C)(C)C1)[*:1]
CCCC[C@H](NC(=O)N1CCC(C)(C)C1)C(=O)[O-] CCC[*:1] CC1(C)CCN(C1)C(=O)N[C@@H](C[*:1])C(=O)[O-]
COc1ccc(NC(=O)Cc2c(C)nc3nc(-c4cccnc4)nn3c2C)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)N[*:1])-c1cccnc1
COc1ccc(NC(=O)Cc2c(C)nc3nc(-c4cccnc4)nn3c2C)c(OC)c1 c1cncc(c1)[*:1] COc1ccc(NC(=O)Cc2c(C)nc3nc(nn3c2C)[*:1])c(c1)OC
CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 Fc1ccc(cc1F)[*:1] CN1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(CCl)NCCCOCc1ccccc1 O=C(CCl)N[*:1] c1ccc(cc1)COCCC[*:1]
CSc1nc(C)cc(C(=O)NNC(=O)c2ccoc2C)n1 Cc1occc1[*:1] CSc1nc(C)cc(n1)C(=O)NNC(=O)[*:1]
CC(C)CCN1C(=O)CCc2cc(NC(=O)NCc3cccs3)ccc21 CC(C)CC[*:1] O=C(NCc1cccs1)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CC(C)CCN1C(=O)CCc2cc(NC(=O)NCc3cccs3)ccc21 c1csc(c1)C[*:1] CC(C)CCN1C(=O)CCc2cc(ccc21)NC(=O)N[*:1]
CC(C)CCN1C(=O)CCc2cc(NC(=O)NCc3cccs3)ccc21 CC(C)C[*:1] O=C(NCc1cccs1)Nc1ccc2c(c1)CCC(=O)N2C[*:1]
CC(C)CCN1C(=O)CCc2cc(NC(=O)NCc3cccs3)ccc21 CC(C)[*:1] O=C(NCc1cccs1)Nc1ccc2c(c1)CCC(=O)N2CC[*:1]
CC(C)CCN1C(=O)CCc2cc(NC(=O)NCc3cccs3)ccc21 c1csc(c1)[*:1] CC(C)CCN1C(=O)CCc2cc(ccc21)NC(=O)NC[*:1]
C[C@@H](C(=O)NCCOc1cccc(F)c1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)NCCOc1cccc(F)c1)[*:1]
CC(C)(CC(=O)[O-])Nc1ccc2nnnn2n1 O=C([O-])C[*:1] CC(C)(Nc1ccc2nnnn2n1)[*:1]
CC(C)(CC(=O)[O-])Nc1ccc2nnnn2n1 O=C([O-])[*:1] CC(C)(C[*:1])Nc1ccc2nnnn2n1
Cc1cccc(C)c1OC[C@H](O)CN1CCO[C@H](c2ccccc2)C1 Cc1cccc(C)c1[*:1] O[C@@H](CO[*:1])CN1CCO[C@@H](C1)c1ccccc1
Cc1cccc(C)c1OC[C@H](O)CN1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1cccc(C)c1OC[C@H](O)CN1CCO[C@H](C1)[*:1]
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1nc(cs1)[*:1]
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 O=C([O-])[*:1] O=C(Nc1nc(cs1)-c1ccc(F)cc1)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1[*:1]
S=c1sc(C2CC2)nn1CN1CCc2ccccc2CC1 C1CC1[*:1] S=c1sc(nn1CN1CCc2ccccc2CC1)[*:1]
Cc1occc1-c1nnc(SCC(=O)Nc2ccc(Cl)cn2)n1C Clc1ccc(nc1)[*:1] Cc1occc1-c1nnc(SCC(=O)N[*:1])n1C
Cc1occc1-c1nnc(SCC(=O)Nc2ccc(Cl)cn2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccc(Cl)cn1
C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCc2ccc(cc2C1)[*:1]
CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1c(F)cccc1Cl CC(C)(C)[*:1] OC1C[C@H](c2cnn(c2N=1)[*:1])c1c(F)cccc1Cl
COc1ccc(/C=C/C(=O)N2CCC(C3[NH+]=c4ccccc4=[NH+]3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCC(CC1)C1[NH+]=c2ccccc2=[NH+]1
O=C(NCCc1cccs1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 c1csc(c1)[*:1] O=C(NCC[*:1])N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1
O=C(NCCc1cccs1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 c1csc(c1)CC[*:1] O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N[*:1]
O=C(NCCc1cccs1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(NCCc1cccs1)N[C@@H]([C@@H]1CCCO1)[*:1]
O=C(NCCc1cccs1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 c1csc(c1)C[*:1] O=C(NC[*:1])N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1
O=C(NCCc1cccs1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(NCCc1cccs1)N[C@@H](c1ccc(F)cc1)[*:1]
CC/[NH+]=C(/NCc1cccc(CO)c1)N1CC[C@H]([N+]2=CCCC2)C1 OCc1cccc(c1)[*:1] CC/[NH+]=C(/NC[*:1])N1CC[C@@H](C1)[N+]1=CCCC1
C/[NH+]=C(/NC[C@@H]1CCO[C@@H]1c1ccccc1)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NC[C@@H]1CCO[C@@H]1c1ccccc1)N1CC[C@H](C1)[*:1]
C/[NH+]=C(/NC[C@@H]1CCO[C@@H]1c1ccccc1)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NC[C@@H]1CCO[C@H]1[*:1])N1CC[C@@H](C1)c1ccccc1
COc1ccc([C@H](C)[NH2+][C@H](CO)CC(C)(C)C)c(F)c1 CC(C)(C)C[*:1] COc1ccc(c(F)c1)[C@H](C)[NH2+][C@H](CO)[*:1]
COc1ccc([C@H](C)[NH2+][C@H](CO)CC(C)(C)C)c(F)c1 CC(C)(C)[*:1] COc1ccc(c(F)c1)[C@H](C)[NH2+][C@H](CO)C[*:1]
O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1ccsc1 c1cc(cs1)[*:1] O=C(OCc1cc(=O)n2cc(Br)ccc2n1)[*:1]
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)CCS(=O)(=O)[*:1]
C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cnn(CC)c1 CCn1cc(cn1)[*:1] C#CCN(Cc1ccc(F)cc1)S(=O)(=O)[*:1]
C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cnn(CC)c1 Fc1ccc(cc1)[*:1] C#CCN(C[*:1])S(=O)(=O)c1cnn(c1)CC
C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cnn(CC)c1 C#CC[*:1] CCn1cc(cn1)S(=O)(=O)N(Cc1ccc(F)cc1)[*:1]
CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(cc1)NC(=O)N[*:1]
CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(F)cc1 CCO[*:1] N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)c(c1)[*:1]
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCOc1cc(ccc1O[*:1])[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOc1cc(ccc1OC[*:1])[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(F)cc1 Fc1ccc(cc1)CO[*:1] CCOc1cc(ccc1[*:1])[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21
CN(C[C@@H](O)C1CC1)C(=O)CSc1ccc2c(c1)CCC2 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)CSc1ccc2CCCc2c1
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C2SCCS2)cc1 C1CSC(S1)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CCCC2)CC1 CC(C)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)C(=O)NC1CCCC1
CC(C)NC(=O)C(=O)N1CCN(C(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] CC(C)NC(=O)C(=O)N1CCN(CC1)C(=O)N[*:1]
CC(C)c1[nH]c(=O)c(C#N)c2c1COC(C)(C)C2 CC(C)[*:1] CC1(C)Cc2c(CO1)c([nH]c(=O)c2C#N)[*:1]
Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N([C@@H]2CCS(=O)(=O)C2)C3=O)c1 Cc1ccc(O)c(c1)[*:1] O=C1c2[nH]nc(c2[C@@H](c2cccc(O)c2)N1[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N([C@@H]2CCS(=O)(=O)C2)C3=O)c1 Oc1cccc(c1)[*:1] Cc1ccc(O)c(c1)-c1n[nH]c2C(=O)N([C@@H]3CCS(=O)(=O)C3)[C@H](c12)[*:1]
CCC12CN3CC(CC)(CN(C1)C3c1cccnc1)C2=O c1cncc(c1)[*:1] CCC12CN3CC(CC)(CN(C1)C3[*:1])C2=O
COc1cc(CN2CC[NH+](Cc3ccccn3)CC2)cc(OC)c1O c1ccc(nc1)[*:1] COc1cc(cc(OC)c1O)CN1CC[NH+](CC1)C[*:1]
COc1cc(CN2CC[NH+](Cc3ccccn3)CC2)cc(OC)c1O c1ccc(C[*:1])nc1 COc1cc(cc(OC)c1O)CN1CC[NH+](CC1)[*:1]
C[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 Fc1cccc(c1)[*:1] C[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1ccccn1)[*:1]
C[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1cccc(F)c1)[*:1]
CC[C@@](C[C@@H]1CCOC1)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CC[C@@](C[C@@H]1CCOC1)(C(=O)[O-])[*:1]
CC[C@@](C[C@@H]1CCOC1)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CC[C@@](C[C@@H]1CCOC1)(c1ccccc1)[*:1]
CC[C@@](C[C@@H]1CCOC1)(C(=O)[O-])c1ccccc1 C1C[C@H](CO1)C[*:1] CC[C@@](C(=O)[O-])(c1ccccc1)[*:1]
CC[C@@](C[C@@H]1CCOC1)(C(=O)[O-])c1ccccc1 C1C[C@H](CO1)[*:1] CC[C@@](C[*:1])(C(=O)[O-])c1ccccc1
CC(C)(C)OC(=O)NCC1CCC(C(=O)[O-])CC1 CC(C)(C)[*:1] O=C(NCC1CCC(CC1)C(=O)[O-])O[*:1]
CC(C)(C)OC(=O)NCC1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] CC(C)(C)OC(=O)NCC1CCC(CC1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NNc1cccnc1Cl CC(C)(C)[*:1] O=C(CC[C@@H]1CCCN1C(=O)O[*:1])NNc1cccnc1Cl
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NNc1cccnc1Cl Clc1ncccc1[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NN[*:1]
CCCCCNC(=O)[C@H](C)Nc1ccc(Br)cc1 CCCC[*:1] C[C@H](Nc1ccc(Br)cc1)C(=O)NC[*:1]
CCCCCNC(=O)[C@H](C)Nc1ccc(Br)cc1 CCCCC[*:1] C[C@H](Nc1ccc(Br)cc1)C(=O)N[*:1]
CCCCCNC(=O)[C@H](C)Nc1ccc(Br)cc1 CCC[*:1] C[C@H](Nc1ccc(Br)cc1)C(=O)NCC[*:1]
COc1ccc(NC(=S)NNC(=O)c2ccc(C)nc2)cc1F Cc1ccc(cn1)[*:1] COc1ccc(cc1F)NC(=S)NNC(=O)[*:1]
COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)c1 Cn1nc(ccc1=O)[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)C(=O)[*:1])OC
COC[C@H]1CCCN(C(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)C1 COc1ccc(cc1)[*:1] COC[C@H]1CCCN(C1)C(=O)N[C@@H](C1CCOCC1)[*:1]
COC[C@H]1CCCN(C(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)C1 COC[*:1] COc1ccc(cc1)[C@H](NC(=O)N1CCC[C@@H](C1)[*:1])C1CCOCC1
COC[C@H]1CCCN(C(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)C1 C1CC(CCO1)[*:1] COC[C@H]1CCCN(C1)C(=O)N[C@@H](c1ccc(cc1)OC)[*:1]
c1csc(CN2CCNc3ccccc32)c1 c1csc(c1)[*:1] c1ccc2c(c1)NCCN2C[*:1]
Cc1cc(O)nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 c1ccc(nc1)[*:1] Cc1cc(O)nc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 c1ccc(cc1)[*:1] Nn1cc(nc1SCC(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F)[*:1]
Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 C1CN(CCO1)[*:1] Nn1cc(nc1SCC(=O)Nc1cc(ccc1[*:1])C(F)(F)F)-c1ccccc1
Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 FC(F)(F)[*:1] Nn1cc(nc1SCC(=O)Nc1cc(ccc1N1CCOCC1)[*:1])-c1ccccc1
O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)N1CCNC1=O O=C(C[*:1])N1CCNC1=O O=C(Cc1ccccc1)Nc1ccccc1C(=O)O[*:1]
O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)N1CCNC1=O c1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)OCC(=O)N1CCNC1=O
O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)N1CCNC1=O c1ccc(cc1)C[*:1] O=C(OCC(=O)N1CCNC1=O)c1ccccc1NC(=O)[*:1]
O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)N1CCNC1=O O=C1NCCN1C(=O)[*:1] O=C(Cc1ccccc1)Nc1ccccc1C(=O)OC[*:1]
NC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCCS1 NC(=O)[*:1] O=C([C@@H]1CCCS1)N1CCCC[C@@H]1C[*:1]
NC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCCS1 NC(=O)C[*:1] O=C([C@@H]1CCCS1)N1CCCC[C@@H]1[*:1]
NC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCCS1 C1CS[C@@H](C1)[*:1] NC(=O)C[C@H]1CCCCN1C(=O)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 c1csc(c1)[*:1] COc1ccc(cc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1[*:1])[N+](=O)[O-]
CCOc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)cc1 O=C(N1CCCCC1)[*:1] CCOc1ccc(cc1)NC(=O)c1sc2ncn(C[*:1])c(=O)c2c1C
CCOc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)cc1 O=C(C[*:1])N1CCCCC1 CCOc1ccc(cc1)NC(=O)c1sc2ncn(c(=O)c2c1C)[*:1]
CCOc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)cc1 CCO[*:1] Cc1c(sc2ncn(CC(=O)N3CCCCC3)c(=O)c12)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)cc1 CCOc1ccc(cc1)[*:1] Cc1c(sc2ncn(CC(=O)N3CCCCC3)c(=O)c12)C(=O)N[*:1]
COC(=O)C1=C(C#N)N[C@@H](C)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 CC(C)OC(=O)[*:1] COC(=O)C1=C(C#N)N[C@@H](C)[C@H]([C@@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
COC(=O)C1=C(C#N)N[C@@H](C)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 CC(C)[*:1] COC(=O)C1=C(C#N)N[C@@H](C)[C@H](C(=O)O[*:1])[C@@H]1c1cccc(c1)[N+](=O)[O-]
COC(=O)C1=C(C#N)N[C@@H](C)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)C1=C(C#N)N[C@@H](C)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc(c1)[*:1]
COC(=O)C1=C(C#N)N[C@@H](C)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 COC(=O)[*:1] CC(C)OC(=O)[C@H]1[C@H](C)NC(C#N)=C([C@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
COC(=O)C1=C(C#N)N[C@@H](C)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] COC(=O)C1=C(C#N)N[C@@H](C)[C@H](C(=O)OC(C)C)[C@H]1[*:1]
Cc1cc(C)c(C(=O)c2ccc(C(=O)N3CCCCC3)cc2)c(C)c1 O=C(N1CCCCC1)[*:1] Cc1cc(C)c(C(=O)c2ccc(cc2)[*:1])c(C)c1
C[C@H](CO)NC(=O)c1ccc(NCc2nnc(C3CCC3)o2)cc1 C[C@H](CO)NC(=O)[*:1] c1cc(ccc1NCc1nnc(o1)C1CCC1)[*:1]
C[C@H](CO)NC(=O)c1ccc(NCc2nnc(C3CCC3)o2)cc1 C1CC(C1)[*:1] C[C@H](CO)NC(=O)c1ccc(cc1)NCc1nnc(o1)[*:1]
C[C@H](CO)NC(=O)c1ccc(NCc2nnc(C3CCC3)o2)cc1 C[C@H](CO)[*:1] O=C(N[*:1])c1ccc(cc1)NCc1nnc(o1)C1CCC1
CC(C)=C1Oc2c(ccc(OC(=O)Cc3ccccc3)c2C)C1=O c1ccc(cc1)[*:1] CC(C)=C1Oc2c(ccc(OC(=O)C[*:1])c2C)C1=O
CC(C)=C1Oc2c(ccc(OC(=O)Cc3ccccc3)c2C)C1=O c1ccc(cc1)C[*:1] CC(C)=C1Oc2c(ccc(OC(=O)[*:1])c2C)C1=O
C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccc2c(c1)oc(=O)n2C C=CC[*:1] C[C@@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)NC(=O)N[*:1]
Cc1nc(Cl)sc1C(=O)Nc1cccc(Oc2cccnn2)c1 c1cnnc(c1)[*:1] Cc1nc(Cl)sc1C(=O)Nc1cccc(c1)O[*:1]
Cc1nc(Cl)sc1C(=O)Nc1cccc(Oc2cccnn2)c1 Cc1nc(Cl)sc1[*:1] O=C(Nc1cccc(c1)Oc1cccnn1)[*:1]
Cc1nc(Cl)sc1C(=O)Nc1cccc(Oc2cccnn2)c1 c1cnnc(c1)O[*:1] Cc1nc(Cl)sc1C(=O)Nc1cccc(c1)[*:1]
CCOc1ccc(Br)cc1[C@H]([NH3+])c1ccc(OC)cc1 CCO[*:1] COc1ccc(cc1)[C@@H]([NH3+])c1cc(Br)ccc1[*:1]
CCN(C(=O)CN1CCN(CCO)CC1)c1cccc2ccccc12 OCC[*:1] CCN(C(=O)CN1CCN(CC1)[*:1])c1cccc2ccccc12
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)cc4)cn3)CC2)cc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cn1)NC(=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)cc4)cn3)CC2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(nc1)N1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)cc4)cn3)CC2)cc1 CC(=O)N[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)cc4)cn3)CC2)cc1 Cc1ccc(cc1)C(=O)N[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cn1)[*:1]
CC[C@@H]1CC[C@@H](N2CCN(S(=O)(=O)CCCOC)CC2)C1 COCC[*:1] CC[C@@H]1CC[C@H](C1)N1CCN(CC1)S(=O)(=O)C[*:1]
CC[C@@H]1CC[C@@H](N2CCN(S(=O)(=O)CCCOC)CC2)C1 CC[C@@H]1CC[C@@H](C1)[*:1] COCCCS(=O)(=O)N1CCN(CC1)[*:1]
CC[C@@H]1CC[C@@H](N2CCN(S(=O)(=O)CCCOC)CC2)C1 COC[*:1] CC[C@@H]1CC[C@H](C1)N1CCN(CC1)S(=O)(=O)CC[*:1]
CC[C@@H]1CC[C@@H](N2CCN(S(=O)(=O)CCCOC)CC2)C1 COCCC[*:1] CC[C@@H]1CC[C@H](C1)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(-n2ncc(C(=O)OCc3nc4ccccc4c(=O)[nH]3)c2C(F)(F)F)nn1 COc1ccc(nn1)[*:1] O=C(OCc1nc2ccccc2c(=O)[nH]1)c1cnn(c1C(F)(F)F)[*:1]
COc1ccc(-n2ncc(C(=O)OCc3nc4ccccc4c(=O)[nH]3)c2C(F)(F)F)nn1 FC(F)(F)[*:1] COc1ccc(nn1)-n1ncc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCN1CCCCCC1=O O=C1CCCCCN1[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCC[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCN1CCCCCC1=O Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCCCN1CCCCCC1=O
Fc1ccc2c(c1)N(c1nc(C3CC3)ns1)CC2 C1CC1[*:1] Fc1ccc2CCN(c3nc(ns3)[*:1])c2c1
COc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)cn1 Cc1ccc(cc1)[*:1] COc1ccc(cn1)NC(=O)C[C@H](NC(C)=O)[*:1]
COc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)cn1 CC(=O)N[*:1] COc1ccc(cn1)NC(=O)C[C@H](c1ccc(C)cc1)[*:1]
COc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)cn1 COc1ccc(cn1)[*:1] CC(=O)N[C@@H](CC(=O)N[*:1])c1ccc(C)cc1
CSC1=[NH+]C(C)(C)C[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)N1 c1ccc(cc1)[*:1] CSC1N[C@@]2(C[C@@H](Oc3cc(O)ccc32)[*:1])CC(C)(C)[NH+]=1
COc1ccc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)cc1OC C1CC1[*:1] COc1ccc(cc1OC)C(=O)Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1]
CSc1ncc(C(=O)N[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1 c1ccc(cc1)[*:1] CSc1ncc(C(=O)N[C@@H]2CCS(=O)(=O)C2)n1[*:1]
COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)C(=O)NN=C[*:1]
CC(C)c1c(C(=O)Nc2nnc(C3CC3)s2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)c1c(cnn1[*:1])C(=O)Nc1nnc(s1)C1CC1
CC(C)c1c(C(=O)Nc2nnc(C3CC3)s2)cnn1-c1ccccc1 CC(C)[*:1] O=C(Nc1nnc(s1)C1CC1)c1cnn(-c2ccccc2)c1[*:1]
CC(C)c1c(C(=O)Nc2nnc(C3CC3)s2)cnn1-c1ccccc1 C1CC1c1nnc(s1)[*:1] CC(C)c1c(cnn1-c1ccccc1)C(=O)N[*:1]
CC(C)c1c(C(=O)Nc2nnc(C3CC3)s2)cnn1-c1ccccc1 C1CC1[*:1] CC(C)c1c(cnn1-c1ccccc1)C(=O)Nc1nnc(s1)[*:1]
COc1ccc2c(CC(=O)N3CCC[C@H]3C(=O)N(C)C)coc2c1 CN(C)C(=O)[*:1] COc1ccc2c(coc2c1)CC(=O)N1CCC[C@@H]1[*:1]
N#Cc1ccccc1N1CCCN(C(=O)c2ccc(O)c(Cl)c2)CC1 Oc1ccc(cc1Cl)[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)[*:1]
N#Cc1ccccc1N1CCCN(C(=O)c2ccc(O)c(Cl)c2)CC1 N#Cc1ccccc1[*:1] O=C(c1ccc(O)c(Cl)c1)N1CCCN(CC1)[*:1]
Cc1cccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(Cc3cccnc3)C3=C2C(=O)CC(C)(C)C3)c1 c1cncc(c1)C[*:1] Cc1cccc(c1)C(=O)N[C@@]1(C(=O)N(C2CC(C)(C)CC(=O)C=21)[*:1])C(F)(F)F
Cc1cccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(Cc3cccnc3)C3=C2C(=O)CC(C)(C)C3)c1 Cc1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@]2(NC(=O)[*:1])C(F)(F)F
Cc1cccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(Cc3cccnc3)C3=C2C(=O)CC(C)(C)C3)c1 FC(F)(F)[*:1] Cc1cccc(c1)C(=O)N[C@@]1(C(=O)N(Cc2cccnc2)C2CC(C)(C)CC(=O)C=21)[*:1]
Cc1cccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(Cc3cccnc3)C3=C2C(=O)CC(C)(C)C3)c1 Cc1cccc(c1)C(=O)N[*:1] CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@]2(C(F)(F)F)[*:1]
Cc1cccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(Cc3cccnc3)C3=C2C(=O)CC(C)(C)C3)c1 c1cncc(c1)[*:1] Cc1cccc(c1)C(=O)N[C@@]1(C(=O)N(C[*:1])C2CC(C)(C)CC(=O)C=21)C(F)(F)F
NC(=O)c1cc(NC(=O)N(Cc2ccccc2)C2CC2)ccc1F C1CC1[*:1] NC(=O)c1cc(ccc1F)NC(=O)N(Cc1ccccc1)[*:1]
NC(=O)c1cc(NC(=O)N(Cc2ccccc2)C2CC2)ccc1F c1ccc(cc1)C[*:1] NC(=O)c1cc(ccc1F)NC(=O)N(C1CC1)[*:1]
NC(=O)c1cc(NC(=O)N(Cc2ccccc2)C2CC2)ccc1F c1ccc(cc1)[*:1] NC(=O)c1cc(ccc1F)NC(=O)N(C[*:1])C1CC1
NC(=O)c1cc(NC(=O)N(Cc2ccccc2)C2CC2)ccc1F NC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])N(Cc1ccccc1)C1CC1
O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1C[*:1]
O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CC(=O)[*:1]
O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)c1ccccc1
CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CC[C@H](C)NC(=O)c1cc(cc(c1C)[N+](=O)[O-])[*:1]
CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CC[C@H](C)NC(=O)c1cc(cc(c1C)[*:1])[N+](=O)[O-]
CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C CC[C@H](C)[*:1] Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(S(=O)(=O)CCc2noc(C(=O)NC3CCCC3)n2)cc1 O=C(NC1CCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)CCc1noc(n1)[*:1]
Cc1ccc(S(=O)(=O)CCc2noc(C(=O)NC3CCCC3)n2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)S(=O)(=O)CCc1noc(n1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)CCc2noc(C(=O)NC3CCCC3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCCC1)c1nc(CCS(=O)(=O)[*:1])no1
CN(C(=O)[C@@H](C[NH3+])c1ccccc1)C1CCC(C)(C)CC1 c1ccc(cc1)[*:1] CN(C(=O)[C@@H](C[NH3+])[*:1])C1CCC(C)(C)CC1
CS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl CS(=O)(=O)N[*:1] O=C(NCC[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
CS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CS(=O)(=O)NCCNC(=O)c1cc(ccc1Cl)[*:1]
CS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl CS(=O)(=O)NC[*:1] O=C(NC[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
Cc1ccc(CNC(=O)Nc2ccccn2)c(OC[C@@H]2CCOC2)c1 c1ccc(nc1)[*:1] Cc1ccc(CNC(=O)N[*:1])c(c1)OC[C@@H]1CCOC1
C[C@@](O)(C#Cc1ccccc1)C[NH2+]Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@](O)(C#Cc1ccccc1)C[NH2+]C[*:1]
C[C@@](O)(C#Cc1ccccc1)C[NH2+]Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@](O)(C#C[*:1])C[NH2+]Cc1ccccc1
Cc1nn2c(=O)cc(CSCC(=O)[O-])nc2s1 O=C([O-])CS[*:1] Cc1nn2c(=O)cc(C[*:1])nc2s1
Cc1nn2c(=O)cc(CSCC(=O)[O-])nc2s1 O=C([O-])C[*:1] Cc1nn2c(=O)cc(CS[*:1])nc2s1
Cc1nn2c(=O)cc(CSCC(=O)[O-])nc2s1 O=C([O-])[*:1] Cc1nn2c(=O)cc(CSC[*:1])nc2s1
O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(NCc1ccc[nH+]c1N1CCOCC1)[*:1]
O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccc(F)c(F)c1 C1CN(CCO1)[*:1] O=C(NCc1ccc[nH+]c1[*:1])c1ccc(F)c(F)c1
C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)C)[*:1]
C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NC[*:1]
C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccccc1 CN(C)S(=O)(=O)[*:1] C[C@@H](CNC(=O)c1cc(ccc1Cl)[*:1])c1ccccc1
COC(=O)NCCC(=O)N(C)c1ccc2nc(C)sc2c1 COC(=O)NC[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)C[*:1]
COC(=O)NCCC(=O)N(C)c1ccc2nc(C)sc2c1 COC(=O)NCC[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)[*:1]
COC(=O)NCCC(=O)N(C)c1ccc2nc(C)sc2c1 COC(=O)N[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)CC[*:1]
CC[C@@H]1CN(S(=O)(=O)C[C@@H](C)CCl)CCO1 C[C@@H](CCl)[*:1] CC[C@@H]1CN(CCO1)S(=O)(=O)C[*:1]
CC[C@@H]1CN(S(=O)(=O)C[C@@H](C)CCl)CCO1 C[C@@H](CCl)C[*:1] CC[C@@H]1CN(CCO1)S(=O)(=O)[*:1]
CCC[NH2+]Cc1ccc(O[C@H]2CCC[C@H](CC)C2)cn1 CCC[*:1] CC[C@H]1CCC[C@@H](C1)Oc1ccc(C[NH2+][*:1])nc1
CCn1nc(C)cc1C(=O)Nc1nnc(-c2cc(Cl)sc2Cl)o1 Clc1cc(c(Cl)s1)[*:1] CCn1nc(C)cc1C(=O)Nc1nnc(o1)[*:1]
Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccccc1F)C1CC1 Cc1ccccc1OC[*:1] O=C(c1ccccc1F)N(CC(=O)N1CCc2sccc2[C@H]1[*:1])C1CC1
Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccccc1F)C1CC1 Cc1ccccc1O[*:1] O=C(c1ccccc1F)N(CC(=O)N1CCc2sccc2[C@H]1C[*:1])C1CC1
Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccccc1F)C1CC1 Cc1ccccc1[*:1] O=C(c1ccccc1F)N(CC(=O)N1CCc2sccc2[C@H]1CO[*:1])C1CC1
Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccccc1F)C1CC1 C1CC1[*:1] Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccccc1F)[*:1]
Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)c1ccccc1F)C1CC1 Fc1ccccc1[*:1] Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)[*:1])C1CC1
COc1ccc(C[C@H](C)CNC(=O)Cc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)[*:1] COc1ccc(cc1)C[C@H](C)CNC(=O)C[*:1]
C[C@@H](CCC[NH3+])NS(=O)(=O)c1cn[nH]c1 [NH3+]CC[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1cn[nH]c1
C[C@@H](CCC[NH3+])NS(=O)(=O)c1cn[nH]c1 [NH3+]CCC[*:1] C[C@@H](NS(=O)(=O)c1cn[nH]c1)[*:1]
C[C@@H](CCC[NH3+])NS(=O)(=O)c1cn[nH]c1 c1n[nH]cc1[*:1] C[C@@H](CCC[NH3+])NS(=O)(=O)[*:1]
Cc1nc(C)c(C[NH2+]Cc2nnc3n2CCC[C@@H]3C(F)(F)F)s1 Cc1nc(C)c(s1)[*:1] FC(F)(F)[C@H]1CCCn2c(C[NH2+]C[*:1])nnc21
Cc1nc(C)c(C[NH2+]Cc2nnc3n2CCC[C@@H]3C(F)(F)F)s1 FC(F)(F)[*:1] Cc1nc(C)c(C[NH2+]Cc2nnc3[C@@H](CCCn23)[*:1])s1
CC(=O)N[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)[*:1]
CC(=O)N[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)C(C)C CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)[C@H](C(C)C)[*:1]
O=C(COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)s1 O=C(c1ccc(Cl)s1)[*:1] O=C(OC[*:1])c1ccccc1C(=O)c1ccc2OCCOc2c1
O=C(COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)s1 O=C(C[*:1])c1ccc(Cl)s1 O=C(O[*:1])c1ccccc1C(=O)c1ccc2OCCOc2c1
O=C(COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)s1 c1cc2OCCOc2cc1[*:1] O=C(COC(=O)c1ccccc1C(=O)[*:1])c1ccc(Cl)s1
O=C(COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(OCC(=O)[*:1])c1ccccc1C(=O)c1ccc2OCCOc2c1
CCN(Cc1ccccn1)C(=O)CC(N)=S NC(=S)C[*:1] CCN(Cc1ccccn1)C(=O)[*:1]
CCN(Cc1ccccn1)C(=O)CC(N)=S NC(=S)[*:1] CCN(Cc1ccccn1)C(=O)C[*:1]
O=C(c1ccccc1NCCOc1ccc(F)cc1Cl)N1CCOCC1 Fc1ccc(c(Cl)c1)[*:1] O=C(c1ccccc1NCCO[*:1])N1CCOCC1
O=C(c1ccccc1NCCOc1ccc(F)cc1Cl)N1CCOCC1 O=C(N1CCOCC1)[*:1] Fc1ccc(OCCNc2ccccc2[*:1])c(Cl)c1
O=C(NCCc1ccc2c(c1)CCO2)c1cnn(C2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NCCc1ccc2OCCc2c1)c1cnn(c1)[*:1]
O=C(Cc1ccccc1)Oc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 c1ccc(cc1)[*:1] O=C(C[*:1])Oc1ccc(cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
O=C(Cc1ccccc1)Oc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 c1ccc(cc1)C[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(cc1)OC(=O)[*:1]
O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1csnn1 O=C(NC1CCCC1)[*:1] O=C(c1csnn1)N(Cc1ccccc1)[C@H](c1ccc(F)cc1)[*:1]
O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1csnn1 Fc1ccc(cc1)[*:1] O=C(NC1CCCC1)[C@@H](N(Cc1ccccc1)C(=O)c1csnn1)[*:1]
O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1csnn1 C1CCC(C1)[*:1] O=C(N[*:1])[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1csnn1
O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1csnn1 c1ccc(cc1)C[*:1] O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)[*:1]
O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1csnn1 c1ccc(cc1)[*:1] O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C[*:1])C(=O)c1csnn1
O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1csnn1 c1snnc1[*:1] O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)[*:1]
Cc1cc([C@@H](OC(=O)Cc2ccon2)C2CC2)ccc1F c1cc(C[*:1])no1 Cc1cc(ccc1F)[C@@H](OC(=O)[*:1])C1CC1
Cc1cc([C@@H](OC(=O)Cc2ccon2)C2CC2)ccc1F C1CC1[*:1] Cc1cc(ccc1F)[C@@H](OC(=O)Cc1ccon1)[*:1]
Cc1cc([C@@H](OC(=O)Cc2ccon2)C2CC2)ccc1F c1cc(no1)[*:1] Cc1cc(ccc1F)[C@@H](OC(=O)C[*:1])C1CC1
COc1cccc(C(=O)NCCCc2n[nH]c(=O)[nH]2)c1 O=c1[nH]nc([nH]1)[*:1] COc1cccc(c1)C(=O)NCCC[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc3cnccc23)c1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)Nc1cccc2cnccc12)[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc3cnccc23)c1 c1cc(c2ccncc2c1)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
COc1ccc(C(=O)N2N=C(c3ccc(OC)cc3)C[C@@]2(O)C(F)(F)F)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
COc1ccc(C(=O)N2N=C(c3ccc(OC)cc3)C[C@@]2(O)C(F)(F)F)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@](O)(N(N=1)C(=O)[*:1])C(F)(F)F
COc1ccc(C(=O)N2N=C(c3ccc(OC)cc3)C[C@@]2(O)C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C(=O)N1N=C(C[C@]1(O)[*:1])c1ccc(cc1)OC
CC(C)(NC(=O)CSCC(=O)c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(NC(=O)CSCC(=O)c1ccccc1)[*:1]
CC(C)(NC(=O)CSCC(=O)c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] CC(C)(NC(=O)CSCC(=O)[*:1])c1cccc(F)c1
CC(C)(NC(=O)CSCC(=O)c1ccccc1)c1cccc(F)c1 O=C(c1ccccc1)[*:1] CC(C)(NC(=O)CSC[*:1])c1cccc(F)c1
O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(c1ccccc1)c1ccccc1 c1csc(c1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])C(c1ccccc1)c1ccccc1
O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(c1ccccc1)[*:1]
O=C(NC[C@@H](c1cccs1)N1CCOCC1)C(c1ccccc1)c1ccccc1 C1CN(CCO1)[*:1] O=C(NC[C@@H](c1cccs1)[*:1])C(c1ccccc1)c1ccccc1
CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1 C1CC1[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)N([C@@H](C)c1ccco1)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1 c1coc(c1)[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)N(C1CC1)[C@@H](C)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1 CC[C@@H](C)NC(=O)[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1ccc(cc1)[*:1])C1CC1
CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1 CC[C@@H](C)[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1ccc(cc1)C(=O)N[*:1])C1CC1
Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)n1 Cc1noc(n1)[*:1] N#Cc1ccc(cc1)C(=O)N1CCCC[C@H]1[*:1]
CC(C)COc1ccc([C@@]2(C[NH2+]C(C)C)CC[C@@H]2C)cc1 CC(C)[*:1] CC(C)[NH2+]C[C@@]1(CC[C@@H]1C)c1ccc(cc1)OC[*:1]
CC(C)COc1ccc([C@@]2(C[NH2+]C(C)C)CC[C@@H]2C)cc1 CC(C)C[*:1] CC(C)[NH2+]C[C@@]1(CC[C@@H]1C)c1ccc(cc1)O[*:1]
CC(C)COc1ccc([C@@]2(C[NH2+]C(C)C)CC[C@@H]2C)cc1 CC(C)CO[*:1] CC(C)[NH2+]C[C@@]1(CC[C@@H]1C)c1ccc(cc1)[*:1]
CC(C)COc1ccc([C@@]2(C[NH2+]C(C)C)CC[C@@H]2C)cc1 CC(C)[*:1] CC(C)COc1ccc(cc1)[C@]1(CC[C@@H]1C)C[NH2+][*:1]
O=C(CCCn1cc[nH+]c1)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] O=C(CCCn1cc[nH+]c1)Nc1n[nH]c(n1)-c1cccc(c1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@H]1C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C(=O)N[*:1])S(=O)(=O)N1CCCCCC1
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@H]1C(=O)NC1CCCCCC1 O=S(=O)(N1CCCCCC1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C(=O)NC1CCCCCC1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@H]1C(=O)NC1CCCCCC1 O=C(NC1CCCCCC1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1[*:1])S(=O)(=O)N1CCCCCC1
O=S(=O)(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccccc1Cl Clc1ccccc1[*:1] O=S(=O)(NCCN1CCO[C@H](C1)c1ccccc1)[*:1]
O=S(=O)(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccccc1Cl c1ccc(cc1)[*:1] O=S(=O)(NCCN1CCO[C@@H](C1)[*:1])c1ccccc1Cl
C[C@H](NC(=O)c1ccc(Cl)cc1Cl)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1Cl)[*:1]
COCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 COC[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
COCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 COCC(=O)N[*:1] C[C@H]1CCc2c(C1)sc(c2C#N)[*:1]
Cc1cccc2[nH]c(CCC(=O)NNC(=S)Nc3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1cccc2[nH]c(CCC(=O)NNC(=S)N[*:1])nc12
C[C@@](NC(=O)c1ccc[nH]c1=O)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@](NC(=O)c1ccc[nH]c1=O)(C(F)(F)F)[*:1]
C[C@@](NC(=O)c1ccc[nH]c1=O)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@](NC(=O)c1ccc[nH]c1=O)(C(=O)[O-])[*:1]
CC(C)(C)OC(=O)N1CCC(O)(C[NH2+]Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CCC(O)(CC1)C[NH2+][*:1]
CC(C)(C)OC(=O)N1CCC(O)(C[NH2+]Cc2ccccc2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(O)(CC1)C[NH2+]Cc1ccccc1
CC(C)(C)OC(=O)N1CCC(O)(C[NH2+]Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC(O)(CC1)C[NH2+]C[*:1]
CCn1nc(C)c(CCC(=O)Nc2ccon2)c1C c1cc(no1)[*:1] CCn1nc(C)c(CCC(=O)N[*:1])c1C
CC[C@@](C)(CO)NC(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 Cc1ccc(nc1)[*:1] CC[C@@](C)(CO)NC(=O)Nc1ccc(cc1)O[*:1]
CC[C@@](C)(CO)NC(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 Cc1ccc(nc1)O[*:1] CC[C@@](C)(CO)NC(=O)Nc1ccc(cc1)[*:1]
O=c1cc(CNc2ccccc2OC[C@@H]2CCCCO2)nc2ccc(Cl)cn12 C1CC[C@@H](CO[*:1])OC1 O=c1cc(CNc2ccccc2[*:1])nc2ccc(Cl)cn12
C[C@@H](NC(=O)Nc1cc(C(=O)N(C)C)ccc1F)[C@H]1CCCO1 CN(C)C(=O)[*:1] C[C@@H](NC(=O)Nc1cc(ccc1F)[*:1])[C@H]1CCCO1
C[C@@H](NC(=O)Nc1cc(C(=O)N(C)C)ccc1F)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)Nc1cc(ccc1F)C(=O)N(C)C)[*:1]
CC(C)C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)[O-] CC(C)C[*:1] O=C([O-])[C@@H](Nc1ncnc2scc(-c3ccccc3)c12)[*:1]
CC(C)C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)[O-] c1ccc(cc1)[*:1] CC(C)C[C@H](Nc1ncnc2scc(c12)[*:1])C(=O)[O-]
CC(C)C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H](C[*:1])Nc1ncnc2scc(-c3ccccc3)c12
CC(C)C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)CCCn1cc[nH+]c1C Cc1nn(C)cc1[*:1] Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)[*:1]
Cc1onc(C(C)C)c1C(=O)NCC1CCC(c2nnc(-c3ccncc3)o2)CC1 CC(C)[*:1] Cc1onc(c1C(=O)NCC1CCC(CC1)c1nnc(o1)-c1ccncc1)[*:1]
Cc1onc(C(C)C)c1C(=O)NCC1CCC(c2nnc(-c3ccncc3)o2)CC1 Cc1onc(c1[*:1])C(C)C O=C(NCC1CCC(CC1)c1nnc(o1)-c1ccncc1)[*:1]
Cc1onc(C(C)C)c1C(=O)NCC1CCC(c2nnc(-c3ccncc3)o2)CC1 c1cc(ccn1)[*:1] Cc1onc(c1C(=O)NCC1CCC(CC1)c1nnc(o1)[*:1])C(C)C
COCCCN(C)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 COCC[*:1] CN(C[*:1])C(=O)[C@H]1CC[C@@H](C[NH3+])O1
COCCCN(C)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 COCCC[*:1] CN(C(=O)[C@H]1CC[C@@H](C[NH3+])O1)[*:1]
COCCCN(C)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 COC[*:1] CN(CC[*:1])C(=O)[C@H]1CC[C@@H](C[NH3+])O1
CCN(CC)C(=O)CCC(=O)Nc1ccc(OC)c(Cl)c1 CCN(CC)C(=O)[*:1] COc1ccc(cc1Cl)NC(=O)CC[*:1]
CCn1nc(-c2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)cc1C CCn1nc(cc1C)[*:1] Clc1cccc(c1Cl)-c1nnc2sc(nn12)[*:1]
CCn1nc(-c2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)cc1C Clc1cccc(c1Cl)[*:1] CCn1nc(cc1C)-c1nn2c(nnc2s1)[*:1]
COCCOc1ccc(NC(=O)c2ccncc2)cn1 c1cc(ccn1)[*:1] COCCOc1ccc(cn1)NC(=O)[*:1]
COCCOc1ccc(NC(=O)c2ccncc2)cn1 COC[*:1] O=C(Nc1ccc(nc1)OC[*:1])c1ccncc1
COCCOc1ccc(NC(=O)c2ccncc2)cn1 COCC[*:1] O=C(Nc1ccc(nc1)O[*:1])c1ccncc1
COCCOc1ccc(NC(=O)c2ccncc2)cn1 COCCO[*:1] O=C(Nc1ccc(nc1)[*:1])c1ccncc1
O=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1N=NC=C1Cl c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)[*:1])[C@@H]1N=NC=C1Cl
Fc1ccc(Oc2ccnc(NC3CCN(c4cccc[nH+]4)CC3)n2)cc1 Fc1ccc(cc1)O[*:1] c1ccc([nH+]c1)N1CCC(CC1)Nc1nccc(n1)[*:1]
Fc1ccc(Oc2ccnc(NC3CCN(c4cccc[nH+]4)CC3)n2)cc1 Fc1ccc(cc1)[*:1] c1ccc([nH+]c1)N1CCC(CC1)Nc1nccc(n1)O[*:1]
Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H](c2ccc(C(=O)N3CCCCC3)cn2)C1 Cc1cc(C)n(C)c(=O)c1[*:1] O=C(c1ccc(nc1)[C@H]1CCCN(C1)C(=O)[*:1])N1CCCCC1
Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H](c2ccc(C(=O)N3CCCCC3)cn2)C1 O=C(N1CCCCC1)[*:1] Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@H](C1)c1ccc(cn1)[*:1]
COC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)Nc2ccc(Br)cc2)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1
COC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)Nc2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] COC(=O)c1cccc(c1)NC(=O)[C@H]1CC=CC[C@H]1C(=O)N[*:1]
CC(C)C[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccs1 c1csc(c1)[*:1] CC(C)C[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)[*:1]
CC(C)C[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccs1 CC(C)C[*:1] C[C@@H]([NH2+][C@H](c1cccs1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CC(C)C[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccs1 CC(C)[*:1] C[C@@H]([NH2+][C@@H](C[*:1])c1cccs1)c1ccc2[nH]c(=O)[nH]c2c1
CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 O=[N+]([O-])[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)N1CCCCC1)c1ccc(cc1)[*:1]
CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 O=C(N1CCCCC1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1[*:1])c1ccc(cc1)[N+](=O)[O-]
CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 O=[N+]([O-])c1ccc(cc1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)N1CCCCC1)[*:1]
O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccncc1 c1ccc(cc1)[*:1] O=C(NNC(=O)c1cn(nc1-c1cccs1)[*:1])c1ccncc1
O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NNC(=O)[*:1])c1cn(nc1-c1cccs1)-c1ccccc1
O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccncc1 c1csc(c1)[*:1] O=C(NNC(=O)c1cn(nc1[*:1])-c1ccccc1)c1ccncc1
Cc1nsnc1COc1cccc(C(=O)NCCc2ccco2)c1 Cc1nsnc1CO[*:1] O=C(NCCc1ccco1)c1cccc(c1)[*:1]
Cc1nsnc1COc1cccc(C(=O)NCCc2ccco2)c1 Cc1nsnc1[*:1] O=C(NCCc1ccco1)c1cccc(c1)OC[*:1]
Cc1nsnc1COc1cccc(C(=O)NCCc2ccco2)c1 c1coc(c1)C[*:1] Cc1nsnc1COc1cccc(c1)C(=O)NC[*:1]
Cc1nsnc1COc1cccc(C(=O)NCCc2ccco2)c1 c1coc(c1)[*:1] Cc1nsnc1COc1cccc(c1)C(=O)NCC[*:1]
Cc1nsnc1COc1cccc(C(=O)NCCc2ccco2)c1 c1coc(c1)CC[*:1] Cc1nsnc1COc1cccc(c1)C(=O)N[*:1]
Cc1nsnc1COc1cccc(C(=O)NCCc2ccco2)c1 Cc1nsnc1C[*:1] O=C(NCCc1ccco1)c1cccc(c1)O[*:1]
CCOCCN(C)C(=O)c1ccc(Cl)cc1F CCOCC[*:1] CN(C(=O)c1ccc(Cl)cc1F)[*:1]
CCOCCN(C)C(=O)c1ccc(Cl)cc1F CCO[*:1] CN(CC[*:1])C(=O)c1ccc(Cl)cc1F
CCOCCN(C)C(=O)c1ccc(Cl)cc1F CCOC[*:1] CN(C[*:1])C(=O)c1ccc(Cl)cc1F
CN(C[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(C[C@@H]1CCCN(C1)c1c(ncn1C)[N+](=O)[O-])C(=O)O[*:1]
CN(C[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1)C(=O)OC(C)(C)C O=[N+]([O-])[*:1] CN(C[C@@H]1CCCN(C1)c1c(ncn1C)[*:1])C(=O)OC(C)(C)C
CSc1ccc(CNC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)cc1 Cc1n[nH]c(C)c1[*:1] CSc1ccc(cc1)CNC(=O)[C@@H](C)C[*:1]
Cc1c(NC(=O)C[C@H](C)n2cccc2)cccc1N1CCOC1=O c1ccn(c1)[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)C[C@H](C)[*:1]
Cc1c(NC(=O)C[C@H](C)n2cccc2)cccc1N1CCOC1=O O=C1OCCN1[*:1] Cc1c(cccc1[*:1])NC(=O)C[C@H](C)n1cccc1
COc1ccccc1NCc1n[nH]c(=S)n1-c1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] COc1ccccc1NCc1n[nH]c(=S)n1[*:1]
COc1ccccc1NCc1n[nH]c(=S)n1-c1cc(C)cc(C)c1 COc1ccccc1[*:1] Cc1cc(C)cc(c1)-n1c(CN[*:1])n[nH]c1=S
Fc1ccc2ncnc(-n3ccnc3)c2c1 c1cn(cn1)[*:1] Fc1ccc2ncnc(c2c1)[*:1]
COc1cccc(C(=O)N(C)[C@@H](C)Cc2cccs2)c1F c1csc(c1)C[*:1] COc1cccc(C(=O)N(C)[C@@H](C)[*:1])c1F
COc1cccc(C(=O)N(C)[C@@H](C)Cc2cccs2)c1F c1csc(c1)[*:1] COc1cccc(C(=O)N(C)[C@@H](C)C[*:1])c1F
Cc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)NC(=O)CN[C@H](c1ccc(F)cc1)[*:1]
Cc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)N[*:1]
Cc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CN[C@H](c1cccs1)[*:1]
C[C@@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1ccccc1Cl CC(C)(C)[*:1] C[C@@H](C(=O)N[*:1])[S@@](=O)Cc1ccccc1Cl
CC(C)C[C@H](CNC(=O)c1cc(F)ccc1Br)C(=O)[O-] CC(C)[*:1] O=C(NC[C@@H](C[*:1])C(=O)[O-])c1cc(F)ccc1Br
CC(C)C[C@H](CNC(=O)c1cc(F)ccc1Br)C(=O)[O-] CC(C)C[*:1] O=C(NC[C@H](C(=O)[O-])[*:1])c1cc(F)ccc1Br
CC(C)C[C@H](CNC(=O)c1cc(F)ccc1Br)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)c1cc(F)ccc1Br)[*:1]
CC(C)(C(=O)NCc1cn(-c2ccccc2)nn1)c1cccc(C#N)c1 c1ccc(cc1)[*:1] CC(C)(C(=O)NCc1cn(nn1)[*:1])c1cccc(C#N)c1
CC(C)(C(=O)NCc1cn(-c2ccccc2)nn1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)(C(=O)NCc1cn(nn1)-c1ccccc1)[*:1]
O=S(=O)(CCNC(=S)Nc1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(CCNC(=S)Nc1ccccc1)[*:1]
O=S(=O)(CCNC(=S)Nc1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=S(=O)(CCNC(=S)N[*:1])c1ccc(F)cc1
O=C(C[C@@H](O)c1ccccc1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] O=C(C[C@@H](O)c1ccccc1)N[C@H](c1ccc2OCCOc2c1)[*:1]
O=C(C[C@@H](O)c1ccccc1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 O[C@@H](c1ccccc1)[*:1] O=C(C[*:1])N[C@H](c1ccc2OCCOc2c1)C1CC1
O=C(C[C@@H](O)c1ccccc1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N[C@H](c1ccc2OCCOc2c1)C1CC1
NS(=O)(=O)c1ccc(CNC(=O)NCCc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)NCC[*:1]
NS(=O)(=O)c1ccc(CNC(=O)NCCc2cccc(F)c2)cc1 Fc1cccc(c1)C[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)NC[*:1]
NS(=O)(=O)c1ccc(CNC(=O)NCCc2cccc(F)c2)cc1 NS(=O)(=O)[*:1] O=C(NCCc1cccc(F)c1)NCc1ccc(cc1)[*:1]
CC(C)C[NH+](Cc1nnsc1Cl)C(C)C CC(C)[*:1] CC(C)C[NH+](Cc1nnsc1Cl)[*:1]
CC(C)C[NH+](Cc1nnsc1Cl)C(C)C CC(C)C[*:1] CC(C)[NH+](Cc1nnsc1Cl)[*:1]
CC(C)C[NH+](Cc1nnsc1Cl)C(C)C CC(C)[*:1] CC(C)[NH+](Cc1nnsc1Cl)C[*:1]
Cc1cccc(Cn2nc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)cc2C)c1 FC(F)(F)[*:1] Cc1cccc(c1)Cn1nc(cc1C)NC(=O)c1cc2c(nn(C)c2s1)[*:1]
Cc1cccc(Cn2nc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)cc2C)c1 Cc1cccc(c1)C[*:1] Cc1cc(nn1[*:1])NC(=O)c1cc2c(nn(C)c2s1)C(F)(F)F
Cc1cccc(Cn2nc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)cc2C)c1 Cc1cccc(c1)[*:1] Cc1cc(nn1C[*:1])NC(=O)c1cc2c(nn(C)c2s1)C(F)(F)F
COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)s2)cc1 COc1ccc(cc1)C[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)s2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)Nc1nnc(C[*:1])s1
COc1ccc(Cc2nnc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)s2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)Cc1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
CCC[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)[C@@H]1CCN(C1=O)c1ccc(Cl)cc1)[*:1]
CCC[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C(=O)OC Clc1ccc(cc1)[*:1] CCC[C@H](NC(=O)[C@@H]1CCN(C1=O)[*:1])C(=O)OC
CCC[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)[C@@H]1CCN(C1=O)c1ccc(Cl)cc1)[*:1]
CCC[C@H](NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C(=O)OC CCC[C@H](C(=O)OC)[*:1] O=C(N[*:1])[C@@H]1CCN(C1=O)c1ccc(Cl)cc1
OC1=N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1cccnc1 Clc1ccc(cc1)[*:1] OC1=NC(=N[*:1])S/C1=C\c1cccnc1
OC1=N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1cccnc1 c1cncc(c1)[*:1] OC1=N/C(=N\c2ccc(Cl)cc2)SC1=C[*:1]
O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 c1ccc(cc1)[*:1] O=C(NCCN1CCN(CC1)[*:1])c1ccc2OCCCOc2c1
COc1c(/C=N/NC(=O)Cc2nc3cc(C)c(C)cc3[nH]c2=O)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1c(/C=N/NC(=O)Cc2nc3cc(C)c(C)cc3[nH]c2=O)cccc1[*:1]
CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccccc3)oc2c1 CC(=O)N[*:1] O=C(NC(=S)Nc1nc2ccc(cc2o1)[*:1])c1ccccc1
CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccccc3)oc2c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc2nc(NC(=S)NC(=O)[*:1])oc2c1
CCC1(CC)[C@@H](NC(=O)c2cncc(C(=O)OC)c2)[C@H](C)[C@@H]1OC COC(=O)[*:1] CCC1(CC)[C@@H](NC(=O)c2cncc(c2)[*:1])[C@H](C)[C@@H]1OC
CC(C)(C(=O)N[C@H]1c2ccccc2C[C@H]1O)C1CCCC1 C1CCC(C1)[*:1] CC(C)(C(=O)N[C@H]1c2ccccc2C[C@H]1O)[*:1]
CC(C)COC[C@@H](O)CNC(=O)[C@@]1(C)CC1(Cl)Cl C[C@]1(CC1(Cl)Cl)[*:1] CC(C)COC[C@@H](O)CNC(=O)[*:1]
CC(C)COC[C@@H](O)CNC(=O)[C@@]1(C)CC1(Cl)Cl CC(C)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NC[C@H](O)COC[*:1]
CC(C)COC[C@@H](O)CNC(=O)[C@@]1(C)CC1(Cl)Cl CC(C)CO[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NC[C@H](O)C[*:1]
CC(C)COC[C@@H](O)CNC(=O)[C@@]1(C)CC1(Cl)Cl CC(C)C[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NC[C@H](O)CO[*:1]
CC(C)COC[C@@H](O)CNC(=O)[C@@]1(C)CC1(Cl)Cl CC(C)COC[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NC[C@H](O)[*:1]
Cc1cc(Sc2n[nH]c(=O)n2C(C)C)c([C@@H](C)[NH3+])cc1F CC(C)[*:1] Cc1cc(Sc2n[nH]c(=O)n2[*:1])c(cc1F)[C@@H](C)[NH3+]
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccccc3)[C@@H]4C2=O)no1 Cc1cc(no1)[*:1] O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccccc3)[C@@H]4C2=O)no1 c1ccc(cc1)[*:1] Cc1cc(no1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N[*:1])[C@@H]3C1=O
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1nnnn1[*:1]
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1nnnn1-c1ccccc1 Clc1ccc(cc1Cl)[*:1] CN(C[*:1])C(=O)CSc1nnnn1-c1ccccc1
O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccccc1Cl Clc1ccccc1[*:1] O=C1OC(=N/C1=C/c1ccccc1Cl)[*:1]
O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccccc1Cl Clc1ccccc1[*:1] O=C1OC(=NC1=C[*:1])c1ccccc1Cl
NS(=O)(=O)c1ccc(CNC(=O)NC2CCCCCC2)cc1 NS(=O)(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])NC1CCCCCC1
NS(=O)(=O)c1ccc(CNC(=O)NC2CCCCCC2)cc1 C1CCCC(CC1)[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)N[*:1]
Cc1cc(C)c(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c(C)c1 Cc1c(Cl)cccc1[*:1] Cc1cc(C)c(NC(=O)CN(S(C)(=O)=O)[*:1])c(C)c1
COCCCC(=O)Nc1cc(Cl)ccc1C#N COCC[*:1] N#Cc1ccc(Cl)cc1NC(=O)C[*:1]
COCCCC(=O)Nc1cc(Cl)ccc1C#N COC[*:1] N#Cc1ccc(Cl)cc1NC(=O)CC[*:1]
COCCCC(=O)Nc1cc(Cl)ccc1C#N COCCC[*:1] N#Cc1ccc(Cl)cc1NC(=O)[*:1]
C[C@@H]([NH2+][C@@H]1CSCC(C)(C)C1)C1CC1 C1CC1[*:1] C[C@@H]([NH2+][C@@H]1CSCC(C)(C)C1)[*:1]
O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](c2nnc3ccccn23)C1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](c2nnc3ccccn23)C1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
CCNC(=O)N1C[C@H](c2cc(OC)ccc2OC)[C@@H](C(=O)NCc2ccccc2)C1 c1ccc(cc1)C[*:1] CCNC(=O)N1C[C@H](c2cc(ccc2OC)OC)[C@H](C1)C(=O)N[*:1]
CCNC(=O)N1C[C@H](c2cc(OC)ccc2OC)[C@@H](C(=O)NCc2ccccc2)C1 c1ccc(cc1)[*:1] CCNC(=O)N1C[C@H](c2cc(ccc2OC)OC)[C@H](C1)C(=O)NC[*:1]
CCNC(=O)N1C[C@H](c2cc(OC)ccc2OC)[C@@H](C(=O)NCc2ccccc2)C1 COc1ccc(OC)c(c1)[*:1] CCNC(=O)N1C[C@H]([C@H](C1)C(=O)NCc1ccccc1)[*:1]
CCNC(=O)N1C[C@H](c2cc(OC)ccc2OC)[C@@H](C(=O)NCc2ccccc2)C1 O=C(NCc1ccccc1)[*:1] CCNC(=O)N1C[C@H](c2cc(ccc2OC)OC)[C@@H](C1)[*:1]
CCCCCSc1nc2nc(C)cc(C)n2n1 CCC[*:1] Cc1cc(C)n2nc(nc2n1)SCC[*:1]
CCCCCSc1nc2nc(C)cc(C)n2n1 CCCC[*:1] Cc1cc(C)n2nc(nc2n1)SC[*:1]
CCCCCSc1nc2nc(C)cc(C)n2n1 CCCCC[*:1] Cc1cc(C)n2nc(nc2n1)S[*:1]
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccc(F)c1)C2=O O=C(NC1CCCC1)[*:1] CCOC(=O)c1cc2C(=O)N(Cc3cccc(F)c3)[C@](C)(Cn2n1)[*:1]
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccc(F)c1)C2=O Fc1cccc(c1)[*:1] CCOC(=O)c1cc2C(=O)N(C[*:1])[C@@](C)(Cn2n1)C(=O)NC1CCCC1
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccc(F)c1)C2=O Fc1cccc(c1)C[*:1] CCOC(=O)c1cc2C(=O)N([C@@](C)(Cn2n1)C(=O)NC1CCCC1)[*:1]
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccc(F)c1)C2=O C1CCC(C1)[*:1] CCOC(=O)c1cc2C(=O)N(Cc3cccc(F)c3)[C@@](C)(Cn2n1)C(=O)N[*:1]
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccc(F)c1)C2=O CCOC(=O)[*:1] C[C@]1(Cn2nc(cc2C(=O)N1Cc1cccc(F)c1)[*:1])C(=O)NC1CCCC1
CC1([C@@](C)(CO)Nc2ccccc2F)CC1 CC1(CC1)[*:1] C[C@@](CO)(Nc1ccccc1F)[*:1]
N#CC(CCc1cc[nH]c(=O)c1)(c1ccccc1)c1ccccc1 O=c1cc(cc[nH]1)[*:1] N#CC(CC[*:1])(c1ccccc1)c1ccccc1
N#CC(CCc1cc[nH]c(=O)c1)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] N#CC(CCc1cc[nH]c(=O)c1)(c1ccccc1)[*:1]
N#CC(CCc1cc[nH]c(=O)c1)(c1ccccc1)c1ccccc1 O=c1cc(cc[nH]1)C[*:1] N#CC(C[*:1])(c1ccccc1)c1ccccc1
Cc1ccc(CNC(=O)CCCc2cn(C)c3ccccc23)cc1 Cc1ccc(cc1)[*:1] Cn1cc(CCCC(=O)NC[*:1])c2ccccc21
Cc1ccc(CNC(=O)CCCc2cn(C)c3ccccc23)cc1 Cc1ccc(cc1)C[*:1] Cn1cc(CCCC(=O)N[*:1])c2ccccc21
CC[NH2+]C1CCC(N(C)S(=O)(=O)c2ccc(C)s2)CC1 Cc1ccc(s1)[*:1] CC[NH2+]C1CCC(CC1)N(C)S(=O)(=O)[*:1]
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(N)[n+](Cc4ccncc4)c3nc12 c1cc(ccn1)C[*:1] Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(N)[n+](c3nc12)[*:1]
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(N)[n+](Cc4ccncc4)c3nc12 c1ccc(cc1)[*:1] Cc1cccn2c(=O)c3cc(C(=O)NC[*:1])c(N)[n+](Cc4ccncc4)c3nc12
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(N)[n+](Cc4ccncc4)c3nc12 c1ccc(cc1)C[*:1] Cc1cccn2c(=O)c3cc(C(=O)N[*:1])c(N)[n+](Cc4ccncc4)c3nc12
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(N)[n+](Cc4ccncc4)c3nc12 c1cc(ccn1)[*:1] Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(N)[n+](C[*:1])c3nc12
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(N)[n+](Cc4ccncc4)c3nc12 O=C(NCc1ccccc1)[*:1] Cc1cccn2c(=O)c3cc(c(N)[n+](Cc4ccncc4)c3nc12)[*:1]
NC(=O)c1cccc(COC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)c1 NC(=O)c1cccc(c1)[*:1] O=C(/C=C/c1ccc(cc1)N1CCCC1=O)OC[*:1]
NC(=O)c1cccc(COC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)c1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)N1CCCC1=O)OCc1cccc(c1)[*:1]
NC(=O)c1cccc(COC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)c1 O=C1CCCN1[*:1] NC(=O)c1cccc(c1)COC(=O)/C=C/c1ccc(cc1)[*:1]
CCOC(=O)N1CCN(Cn2nc([C@H](C)N(C)C)n(-c3ccc(F)cc3)c2=S)CC1 CN(C)[*:1] CCOC(=O)N1CCN(CC1)Cn1nc([C@H](C)[*:1])n(-c2ccc(F)cc2)c1=S
CCOC(=O)N1CCN(Cn2nc([C@H](C)N(C)C)n(-c3ccc(F)cc3)c2=S)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)Cn1nc([C@H](C)N(C)C)n(c1=S)[*:1]
Cc1cc(OCc2nc(-c3cccnc3)no2)ccc1Cl c1cncc(c1)[*:1] Cc1cc(ccc1Cl)OCc1nc(no1)[*:1]
C[NH+](C)[C@H](CNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)c1ccco1 Fc1cccc(c1)O[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccc(cc1)[*:1])c1ccco1
C[NH+](C)[C@H](CNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)c1ccco1 Fc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccc(cc1)O[*:1])c1ccco1
C[NH+](C)[C@H](CNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccc(cc1)Oc1cccc(F)c1)[*:1]
Cc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c1O c1csc(c1)[*:1] Cc1cccc(C(=O)N2CCC[C@H]2CC(=O)[*:1])c1O
Cc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c1O O=C(c1cccs1)[*:1] Cc1cccc(C(=O)N2CCC[C@H]2C[*:1])c1O
O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(Cl)c1 C1CC1[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1cccc(Cl)c1
O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(Cl)c1 O=S(=O)(NC1CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(Cl)c1
O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
CC(C)OC(=O)[C@H](C)N(C)Cc1cnc2ccc(C#N)cn12 CC(C)OC(=O)[*:1] C[C@H](N(C)Cc1cnc2ccc(C#N)cn12)[*:1]
CC(C)OC(=O)[C@H](C)N(C)Cc1cnc2ccc(C#N)cn12 CC(C)[*:1] C[C@@H](C(=O)O[*:1])N(C)Cc1cnc2ccc(C#N)cn12
CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)OCc1cccc(F)c1 Fc1cccc(c1)[*:1] CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)OC[*:1]
CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)OCc1cccc(F)c1 CS(=O)(=O)[*:1] O=C(OCc1cccc(F)c1)[C@@H](Cc1ccccc1)[*:1]
CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)OCc1cccc(F)c1 c1ccc(cc1)C[*:1] CS(=O)(=O)[C@H](C(=O)OCc1cccc(F)c1)[*:1]
CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)OCc1cccc(F)c1 c1ccc(cc1)[*:1] CS(=O)(=O)[C@H](C[*:1])C(=O)OCc1cccc(F)c1
CCCC(=O)Nc1ccccc1NC(=O)COc1cc(C)c(Br)c(C)c1 CCC[*:1] Cc1cc(cc(C)c1Br)OCC(=O)Nc1ccccc1NC(=O)[*:1]
CCCC(=O)Nc1ccccc1NC(=O)COc1cc(C)c(Br)c(C)c1 CCCC(=O)N[*:1] Cc1cc(cc(C)c1Br)OCC(=O)Nc1ccccc1[*:1]
CCC[NH2+][C@H](c1ccsc1)[C@]1(C)CCCO1 CCC[*:1] C[C@]1(CCCO1)[C@H]([NH2+][*:1])c1ccsc1
CCC[NH2+][C@H](c1ccsc1)[C@]1(C)CCCO1 c1cc(cs1)[*:1] CCC[NH2+][C@H]([C@]1(C)CCCO1)[*:1]
CCc1nnc2n1N(C(C)=O)C(c1ccc(Br)cc1)=C(C(C)=O)S2 CC(=O)[*:1] CCc1nnc2SC(=C(c3ccc(Br)cc3)N(C(C)=O)n12)[*:1]
CCc1nnc2n1N(C(C)=O)C(c1ccc(Br)cc1)=C(C(C)=O)S2 Brc1ccc(cc1)[*:1] CCc1nnc2SC(C(C)=O)=C(N(C(C)=O)n12)[*:1]
CCCN[C@@]1(C#N)CC[C@@H](SCCO)C1 CCCN[*:1] N#C[C@]1(CC[C@H](C1)SCCO)[*:1]
CCCN[C@@]1(C#N)CC[C@@H](SCCO)C1 OCC[*:1] CCCN[C@@]1(C#N)CC[C@H](C1)S[*:1]
CCCN[C@@]1(C#N)CC[C@@H](SCCO)C1 CCC[*:1] N#C[C@@]1(CC[C@H](C1)SCCO)N[*:1]
CCCN[C@@]1(C#N)CC[C@@H](SCCO)C1 OCCS[*:1] CCCN[C@@]1(C#N)CC[C@@H](C1)[*:1]
Cc1cccc(CN2CCN(C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)c1 Cc1cccc(c1)C[*:1] NC(=O)COc1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
Cc1cccc(CN2CCN(C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)c1 NC(=O)[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)Nc1ccc(cc1)OC[*:1]
Cc1cccc(CN2CCN(C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)c1 NC(=O)CO[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(CN2CCN(C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)c1 Cc1cccc(c1)[*:1] NC(=O)COc1ccc(cc1)NC(=O)N1CCN(CC1)C[*:1]
Cc1cccc(CN2CCN(C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)c1 NC(=O)C[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)Nc1ccc(cc1)O[*:1]
O=C1N=C2NC3=C(C(=O)CCC3)[C@H](c3cc(Br)ccc3O)[C@@H]2C(=O)N1 Oc1ccc(Br)cc1[*:1] O=C1N=C2NC3CCCC(=O)C=3[C@H]([C@@H]2C(=O)N1)[*:1]
Cc1ncc(CN(CC2CC[NH2+]CC2)C(C)C)s1 CC(C)[*:1] Cc1ncc(CN(CC2CC[NH2+]CC2)[*:1])s1
Cc1ncc(CN(CC2CC[NH2+]CC2)C(C)C)s1 Cc1ncc(s1)[*:1] CC(C)N(CC1CC[NH2+]CC1)C[*:1]
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2nccs2)cc1OC c1csc(n1)[*:1] CCCOc1c(Br)cc(/C=C(\C#N)C(=O)N[*:1])cc1OC
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2nccs2)cc1OC O=C(Nc1nccs1)[*:1] CCCOc1c(Br)cc(C=C(C#N)[*:1])cc1OC
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2nccs2)cc1OC CCCO[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)cc(Br)c1[*:1]
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2nccs2)cc1OC CCC[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)cc(Br)c1O[*:1]
COCc1cc(=O)[nH]c2cc(NC(=O)c3cnn(-c4ccccc4)n3)ccc12 COC[*:1] O=C(Nc1ccc2c(cc(=O)[nH]c2c1)[*:1])c1cnn(n1)-c1ccccc1
COCc1cc(=O)[nH]c2cc(NC(=O)c3cnn(-c4ccccc4)n3)ccc12 c1ccc(cc1)[*:1] COCc1cc(=O)[nH]c2cc(ccc12)NC(=O)c1cnn(n1)[*:1]
CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)Cn2cccn2)n1 c1cnn(c1)C[*:1] CN(C)c1ncc(-c2cccc(Cl)c2)c(n1)[C@H]1CCCN1C(=O)[*:1]
CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)Cn2cccn2)n1 c1cnn(c1)[*:1] CN(C)c1ncc(-c2cccc(Cl)c2)c(n1)[C@H]1CCCN1C(=O)C[*:1]
CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)Cn2cccn2)n1 CN(C)[*:1] O=C(Cn1cccn1)N1CCC[C@@H]1c1nc(ncc1-c1cccc(Cl)c1)[*:1]
CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)Cn2cccn2)n1 Clc1cccc(c1)[*:1] CN(C)c1ncc(c(n1)[C@H]1CCCN1C(=O)Cn1cccn1)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccco2)n1N c1coc(c1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(n1N)[*:1]
Cc1cnc([C@H](C)NC(=O)NC[C@@H](C)N2CCOC[C@@H]2C)s1 Cc1cnc(s1)[*:1] C[C@H]1COCCN1[C@H](C)CNC(=O)N[C@@H](C)[*:1]
Cc1cnc([C@H](C)NC(=O)NC[C@@H](C)N2CCOC[C@@H]2C)s1 C[C@H]1COCCN1[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NC[C@@H](C)[*:1]
CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 O=C([O-])[*:1] CC[C@]1(CCCN(C1)C(=O)c1ccc(cc1)C[NH+]1CCCC1)[*:1]
CC[NH+](CC)CC(=O)Nc1ccc(Sc2nncs2)cc1 c1nnc(s1)[*:1] CC[NH+](CC)CC(=O)Nc1ccc(cc1)S[*:1]
CC[NH+](CC)CC(=O)Nc1ccc(Sc2nncs2)cc1 c1nnc(S[*:1])s1 CC[NH+](CC)CC(=O)Nc1ccc(cc1)[*:1]
COCCN(Cc1cccnc1)C(=O)c1ccoc1 c1cc(co1)[*:1] COCCN(Cc1cccnc1)C(=O)[*:1]
COCCN(Cc1cccnc1)C(=O)c1ccoc1 COCC[*:1] O=C(c1ccoc1)N(Cc1cccnc1)[*:1]
COCCN(Cc1cccnc1)C(=O)c1ccoc1 COC[*:1] O=C(c1ccoc1)N(Cc1cccnc1)C[*:1]
COCCN(Cc1cccnc1)C(=O)c1ccoc1 c1cncc(c1)[*:1] COCCN(C[*:1])C(=O)c1ccoc1
CCS(=O)(=O)c1cccc(F)c1NC(=O)COc1ccc(C)cc1OC CCS(=O)(=O)[*:1] COc1cc(C)ccc1OCC(=O)Nc1c(F)cccc1[*:1]
CCn1cc[nH+]c(N2CCN([C@H](C)c3ccccc3Cl)CC2)c1=O Clc1ccccc1[*:1] CCn1cc[nH+]c(c1=O)N1CCN(CC1)[C@H](C)[*:1]
CN(C)CC#Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)s1 CN(C)CC#C[*:1] O=C(/C=C/c1ccc(Cl)cc1)c1ccc(s1)[*:1]
CN(C)CC#Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)s1 CN(C)C[*:1] O=C(/C=C/c1ccc(Cl)cc1)c1ccc(C#C[*:1])s1
CN(C)CC#Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)s1 CN(C)[*:1] O=C(/C=C/c1ccc(Cl)cc1)c1ccc(C#CC[*:1])s1
CN(C)CC#Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CN(C)CC#Cc1ccc(s1)C(=O)C=C[*:1]
CCCNc1nc(C)c(C(C)=O)cc1C#N CC(=O)[*:1] CCCNc1nc(C)c(cc1C#N)[*:1]
CCCNc1nc(C)c(C(C)=O)cc1C#N CCC[*:1] CC(=O)c1cc(C#N)c(nc1C)N[*:1]
CCCNc1nc(C)c(C(C)=O)cc1C#N CCCN[*:1] CC(=O)c1cc(C#N)c(nc1C)[*:1]
C[C@H](CC(=O)[O-])N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O O=C([O-])[*:1] C[C@H](C[*:1])N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O
C[C@H](CC(=O)[O-])N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] C[C@H](CC(=O)[O-])N1C(=O)SC(=C[*:1])C1=O
C[C@H](CC(=O)[O-])N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O O=C([O-])C[*:1] C[C@H](N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[*:1]
CC(=O)NCCNC(=O)c1ccc2oc(C)cc2c1 CC(=O)NC[*:1] Cc1cc2cc(ccc2o1)C(=O)NC[*:1]
CC(=O)NCCNC(=O)c1ccc2oc(C)cc2c1 CC(=O)N[*:1] Cc1cc2cc(ccc2o1)C(=O)NCC[*:1]
CC(=O)NCCNC(=O)c1ccc2oc(C)cc2c1 CC(=O)NCC[*:1] Cc1cc2cc(ccc2o1)C(=O)N[*:1]
[NH3+][C@@H](CCc1ccccc1)Cc1ccc(O)cc1 c1ccc(cc1)[*:1] [NH3+][C@@H](CC[*:1])Cc1ccc(O)cc1
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(C(=O)[O-])cc1 C1CO[C@@H](C1)C[*:1] O=C(N/N=C/c1ccc(cc1)C(=O)[O-])C(=O)N[*:1]
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(C(=O)[O-])cc1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])C(=O)N/N=C/c1ccc(cc1)C(=O)[O-]
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(cc1)[*:1]
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCN(C(=O)C4CC4)CC3)C2=O)cc1C O=C(C1CC1)N1CCN(CC1)[*:1] Cc1ccc(cc1C)[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCN(C(=O)C4CC4)CC3)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(C1CC1)N1CCN(CC1)CN1C(=O)N[C@](C1=O)(c1ccccc1)[*:1]
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCN(C(=O)C4CC4)CC3)C2=O)cc1C C1CC1[*:1] Cc1ccc(cc1C)[C@@]1(NC(=O)N(CN2CCN(CC2)C(=O)[*:1])C1=O)c1ccccc1
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCN(C(=O)C4CC4)CC3)C2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)[C@@]1(NC(=O)N(CN2CCN(CC2)C(=O)C2CC2)C1=O)[*:1]
C[C@@H](CC(=O)N[C@H](CO)c1ccccc1F)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](CC(=O)N[C@H](CO)c1ccccc1F)NC(=O)[*:1]
C[C@@H](CC(=O)N[C@H](CO)c1ccccc1F)NC(=O)C1CCCCC1 Fc1ccccc1[*:1] C[C@@H](CC(=O)N[C@H](CO)[*:1])NC(=O)C1CCCCC1
O=C(CCN1CCOCC1)NNC(=S)NC(=O)c1ccc(Br)cc1 C1CN(CCO1)C[*:1] O=C(C[*:1])NNC(=S)NC(=O)c1ccc(Br)cc1
O=C(CCN1CCOCC1)NNC(=S)NC(=O)c1ccc(Br)cc1 C1CN(CCO1)CC[*:1] O=C(NC(=S)NNC(=O)[*:1])c1ccc(Br)cc1
O=C(CCN1CCOCC1)NNC(=S)NC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCN1CCOCC1)NNC(=S)NC(=O)[*:1]
O=C(CCN1CCOCC1)NNC(=S)NC(=O)c1ccc(Br)cc1 C1CN(CCO1)[*:1] O=C(CC[*:1])NNC(=S)NC(=O)c1ccc(Br)cc1
O=C(NCc1ccccn1)c1cc2ccccc2oc1=O c1ccc(nc1)[*:1] O=C(NC[*:1])c1cc2ccccc2oc1=O
O=C(NCc1ccccn1)c1cc2ccccc2oc1=O c1ccc(C[*:1])nc1 O=C(N[*:1])c1cc2ccccc2oc1=O
Cc1cc(C(=O)NC[C@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)no1 C(=C[*:1])c1ccccc1 Cc1cc(no1)C(=O)NC[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cc(C(=O)NC[C@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)no1 Cc1cc(no1)[*:1] O=C(NC[C@H]1CCCN(C1)S(=O)(=O)/C=C/c1ccccc1)[*:1]
Cc1cc(C(=O)NC[C@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)C(=O)NC[C@H]1CCCN(C1)S(=O)(=O)C=C[*:1]
Cc1cc(C(=O)NC[C@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)no1 Cc1cc(no1)C(=O)N[*:1] O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H](C1)C[*:1]
COc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc1O c1ccc(nc1)[*:1] COc1ccc(cc1O)C[NH+]1CCC(CC1)c1cc(=O)[nH]c(n1)[*:1]
COc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc1O COc1ccc(cc1O)[*:1] O=c1cc(nc([nH]1)-c1ccccn1)C1CC[NH+](CC1)C[*:1]
O=C([O-])[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H](c1ccccc1)C(c1ccccc1)[*:1]
O=C([O-])[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H](C(c1ccccc1)c1ccccc1)[*:1]
C[C@@H]1CN(Cc2nc(N)nc(N(C)C)n2)c2ccccc2NC1=O CN(C)[*:1] C[C@@H]1CN(Cc2nc(N)nc(n2)[*:1])c2ccccc2NC1=O
CSc1nc(C2CC2)nc(C)c1C(=O)N[C@H]1CCc2c(O)cccc21 C1CC1[*:1] CSc1nc(nc(C)c1C(=O)N[C@H]1CCc2c(O)cccc21)[*:1]
C[NH2+]CCN1CCCC[C@H]1CCO OCC[*:1] C[NH2+]CCN1CCCC[C@@H]1[*:1]
Cn1c(CNC(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)nc2ccccc21 FC(F)(F)[*:1] Cn1c(CNC(=O)C(=O)Nc2ccc(F)c(c2)[*:1])nc2ccccc21
CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cc(C)ccc2C)C1 CC[C@@H](C)[*:1] Cc1ccc(C)c(/C=C/c2onc(C)c2S(=O)(=O)N2CCC[C@H](C2)C(=O)N[*:1])c1
CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cc(C)ccc2C)C1 Cc1ccc(C)c(c1)[*:1] CC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1c(C)noc1C=C[*:1]
CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cc(C)ccc2C)C1 Cc1ccc(C)c(C=C[*:1])c1 CC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1c(C)noc1[*:1]
CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cc(C)ccc2C)C1 CC[C@@H](C)NC(=O)[*:1] Cc1ccc(C)c(/C=C/c2onc(C)c2S(=O)(=O)N2CCC[C@H](C2)[*:1])c1
Cc1ccccc1C1(CNC(=O)NCc2ccc(C(N)=O)o2)CC1 Cc1ccccc1[*:1] NC(=O)c1ccc(CNC(=O)NCC2(CC2)[*:1])o1
Cc1ccccc1C1(CNC(=O)NCc2ccc(C(N)=O)o2)CC1 NC(=O)c1ccc(o1)[*:1] Cc1ccccc1C1(CC1)CNC(=O)NC[*:1]
Cc1ccccc1C1(CNC(=O)NCc2ccc(C(N)=O)o2)CC1 NC(=O)[*:1] Cc1ccccc1C1(CC1)CNC(=O)NCc1ccc(o1)[*:1]
Nc1cc(OC[C@@H]2CCOC2)ccc1S(N)(=O)=O C1C[C@H](CO1)C[*:1] Nc1cc(ccc1S(N)(=O)=O)O[*:1]
Nc1cc(OC[C@@H]2CCOC2)ccc1S(N)(=O)=O C1C[C@H](CO1)[*:1] Nc1cc(ccc1S(N)(=O)=O)OC[*:1]
Nc1cc(OC[C@@H]2CCOC2)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Nc1cc(ccc1[*:1])OC[C@@H]1CCOC1
COc1ccc(C)cc1CCNC(=O)c1cc(C#N)cs1 N#Cc1csc(c1)[*:1] COc1ccc(C)cc1CCNC(=O)[*:1]
C[C@@H]1C[C@@H]([NH3+])CN(c2nccnc2C(N)=O)C1 NC(=O)[*:1] C[C@@H]1C[C@@H]([NH3+])CN(C1)c1nccnc1[*:1]
C[C@H](CC(=O)NCC(C)(C)c1ccncc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)NCC(C)(C)c1ccncc1)[*:1]
C[C@H](CC(=O)NCC(C)(C)c1ccncc1)c1ccccc1 c1cc(ccn1)[*:1] C[C@H](CC(=O)NCC(C)(C)[*:1])c1ccccc1
Cc1oc(C(=O)N(C)c2ccccn2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N(C)c1ccccn1
Cc1oc(C(=O)N(C)c2ccccn2)cc1S(=O)(=O)N(C)C c1ccc(nc1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)N(C)[*:1]
Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3C[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CSc1ncnc2c1cnn2Cc1ccccc1)N[*:1]
Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)c(C)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3[*:1])c(C)c1
COC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CC[NH+](C(C)C)C2 O=C1CCC(=O)N1[*:1] COC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc2C[NH+](CCc21)C(C)C
COC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CC[NH+](C(C)C)C2 COC(=O)[*:1] CC(C)[NH+]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)N1C(=O)CCC1=O)c2[*:1]
COC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CC[NH+](C(C)C)C2 CC(C)[*:1] COC(=O)c1c(NC(=O)c2ccc(cc2)N2C(=O)CCC2=O)sc2C[NH+](CCc21)[*:1]
CCSCCC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 CCSC[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)C[*:1]
CCSCCC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 CCSCC[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)[*:1]
CCSCCC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCSCCC(=O)Nc1ccc(C)c(c1)[*:1]
CCSCCC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 CCS[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)CC[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)N(C)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1 COC[*:1] CC(C)c1ccc(cc1)N(C)C(=O)[C@H]1c2ccccc2C(=O)N(C[*:1])[C@H]1c1ccc(F)cc1
COCCN1C(=O)c2ccccc2[C@H](C(=O)N(C)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1 CC(C)[*:1] COCCN1C(=O)c2ccccc2[C@H](C(=O)N(C)c2ccc(cc2)[*:1])[C@@H]1c1ccc(F)cc1
COCCN1C(=O)c2ccccc2[C@H](C(=O)N(C)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1 COCC[*:1] CC(C)c1ccc(cc1)N(C)C(=O)[C@H]1c2ccccc2C(=O)N([C@H]1c1ccc(F)cc1)[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)N(C)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1 CC(C)c1ccc(cc1)[*:1] COCCN1C(=O)c2ccccc2[C@H](C(=O)N(C)[*:1])[C@@H]1c1ccc(F)cc1
COCCN1C(=O)c2ccccc2[C@H](C(=O)N(C)c2ccc(C(C)C)cc2)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCCN1C(=O)c2ccccc2[C@H](C(=O)N(C)c2ccc(cc2)C(C)C)[C@H]1[*:1]
C=CCNC(=O)c1ccccc1NC(=O)CCC(C)(C)C CC(C)(C)C[*:1] C=CCNC(=O)c1ccccc1NC(=O)C[*:1]
C=CCNC(=O)c1ccccc1NC(=O)CCC(C)(C)C CC(C)(C)CC[*:1] C=CCNC(=O)c1ccccc1NC(=O)[*:1]
C=CCNC(=O)c1ccccc1NC(=O)CCC(C)(C)C C=CC[*:1] CC(C)(C)CCC(=O)Nc1ccccc1C(=O)N[*:1]
C=CCNC(=O)c1ccccc1NC(=O)CCC(C)(C)C CC(C)(C)[*:1] C=CCNC(=O)c1ccccc1NC(=O)CC[*:1]
C=CCNC(=O)c1ccccc1NC(=O)CCC(C)(C)C C=CCNC(=O)[*:1] CC(C)(C)CCC(=O)Nc1ccccc1[*:1]
CC(C)C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)N[*:1]
CC(C)C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)Nc1nccs1 CC(C)[*:1] O=C(N[C@@H](C[*:1])C(=O)Nc1nccs1)[C@H]1CCn2cc[nH+]c2C1
CC(C)C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] CC(C)C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)[*:1]
CC(C)C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)Nc1nccs1 CC(C)C[*:1] O=C(N[C@H](C(=O)Nc1nccs1)[*:1])[C@H]1CCn2cc[nH+]c2C1
C/[NH+]=C(/NCCS(=O)(=O)C(C)(C)C)N1CCC(C)(C)C1 CC(C)(C)[*:1] C/[NH+]=C(/NCCS(=O)(=O)[*:1])N1CCC(C)(C)C1
COc1ccc(CN2CC[NH+](CCCO)CC2)c(Cl)c1 OCCC[*:1] COc1ccc(CN2CC[NH+](CC2)[*:1])c(Cl)c1
COc1ccc(CN2CC[NH+](CCCO)CC2)c(Cl)c1 OCC[*:1] COc1ccc(CN2CC[NH+](CC2)C[*:1])c(Cl)c1
CCCC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)nc(C)n2C CCCC[*:1] Cc1nc2cc(ccc2n1C)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1[*:1]
CCCC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)nc(C)n2C CCC[*:1] Cc1nc2cc(ccc2n1C)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[*:1]
COc1ccccc1COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O COc1ccccc1C[*:1] NC(=O)c1cc(ccc1O[*:1])S(=O)(=O)N1CCCC1
COc1ccccc1COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O COc1ccccc1[*:1] NC(=O)c1cc(ccc1OC[*:1])S(=O)(=O)N1CCCC1
COc1ccccc1COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O O=S(=O)(N1CCCC1)[*:1] COc1ccccc1COc1ccc(cc1C(N)=O)[*:1]
COc1ccccc1COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O NC(=O)[*:1] COc1ccccc1COc1ccc(cc1[*:1])S(=O)(=O)N1CCCC1
CCOC1CCN(C(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)CC1 CCO[*:1] O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCC(CC1)[*:1]
CCc1ccccc1NC(=O)CN[C@H](C)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CCc1ccccc1NC(=O)CN[C@H](C)c1ccc(cc1)[*:1]
CCc1ccccc1NC(=O)CN[C@H](C)c1ccc(-n2cccn2)cc1 CCc1ccccc1[*:1] C[C@@H](NCC(=O)N[*:1])c1ccc(cc1)-n1cccn1
COC(=O)c1ccc(S(N)(=O)=O)n1C COC(=O)[*:1] Cn1c(ccc1[*:1])S(N)(=O)=O
COC(=O)c1ccc(S(N)(=O)=O)n1C NS(=O)(=O)[*:1] COC(=O)c1ccc(n1C)[*:1]
COc1ccc([C@@H](C)CC(=O)NNC(=O)NCC(F)(F)F)cc1 FC(F)(F)C[*:1] COc1ccc(cc1)[C@@H](C)CC(=O)NNC(=O)N[*:1]
COc1ccc([C@@H](C)CC(=O)NNC(=O)NCC(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@@H](C)CC(=O)NNC(=O)NC[*:1]
CC[C@H](NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccnn1C Cc1ccc(o1)[*:1] CC[C@H](NC(=O)c1cc(n[nH]1)[*:1])c1ccnn1C
CC[C@H](NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccnn1C Cn1nccc1[*:1] CC[C@H](NC(=O)c1cc(n[nH]1)-c1ccc(C)o1)[*:1]
CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] CC(=O)Nc1ccc(cc1OCC(=O)N[*:1])C(C)=O
CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1ccc2c(c1)CCC2 CC(=O)N[*:1] CC(=O)c1ccc(c(c1)OCC(=O)Nc1ccc2CCCc2c1)[*:1]
CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)Nc1ccc2c(c1)CCC2 CC(=O)[*:1] CC(=O)Nc1ccc(cc1OCC(=O)Nc1ccc2CCCc2c1)[*:1]
C#CC[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1)c1ccccn1 Cc1ccc(s1)[*:1] C#CC[C@H](OC(=O)[C@@H]1C[C@H]1[*:1])c1ccccn1
C#CC[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1)c1ccccn1 c1ccc(nc1)[*:1] C#CC[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1)[*:1]
C#CC[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1)c1ccccn1 C#CC[*:1] Cc1ccc(s1)[C@H]1C[C@H]1C(=O)O[C@H](c1ccccn1)[*:1]
O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cccc(Cl)c1F c1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])Nc1cccc(Cl)c1F
O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cccc(Cl)c1F Fc1c(Cl)cccc1[*:1] O=C(Cc1csc(n1)NC(=O)c1ccccc1)N[*:1]
N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3Cc4ccccc4O3)s2)cc1 N#Cc1ccc(cc1)[*:1] O=C(Nc1ncc(C[*:1])s1)[C@H]1Cc2ccccc2O1
C[C@H]1CN(C(=O)CCc2nc(-c3cccs3)no2)c2ccccc21 c1csc(c1)[*:1] C[C@H]1CN(C(=O)CCc2nc(no2)[*:1])c2ccccc21
CN(C)C(=O)CCCC(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 CN(C)C(=O)[*:1] O=C(CCC[*:1])Nc1cccc(c1)-c1nc(n[nH]1)C1CC1
CN(C)C(=O)CCCC(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 CN(C)C(=O)C[*:1] O=C(CC[*:1])Nc1cccc(c1)-c1nc(n[nH]1)C1CC1
CN(C)C(=O)CCCC(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 C1CC1[*:1] CN(C)C(=O)CCCC(=O)Nc1cccc(c1)-c1nc(n[nH]1)[*:1]
CN(C)C(=O)CCCC(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 CN(C)C(=O)CCC[*:1] O=C(Nc1cccc(c1)-c1nc(n[nH]1)C1CC1)[*:1]
CN(C)C(=O)CCCC(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 C1CC1c1n[nH]c(n1)[*:1] CN(C)C(=O)CCCC(=O)Nc1cccc(c1)[*:1]
CN(C)C(=O)CCCC(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 CN(C)C(=O)CC[*:1] O=C(C[*:1])Nc1cccc(c1)-c1nc(n[nH]1)C1CC1
O=C([O-])C[C@@H](Br)C(=O)c1ccc2c(c1)CCC2 O=C([O-])C[*:1] O=C(c1ccc2CCCc2c1)[C@H](Br)[*:1]
O=C([O-])C[C@@H](Br)C(=O)c1ccc2c(c1)CCC2 O=C([O-])[*:1] O=C(c1ccc2CCCc2c1)[C@H](Br)C[*:1]
COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCCS2(=O)=O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)[*:1]
COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCCS2(=O)=O)c2ccccc2)c1 COc1cccc(c1)[*:1] O=S1(=O)CCC[C@H]1C[NH2+][C@H](C[*:1])c1ccccc1
CN(C(=O)NCCNC(=O)c1ccc(Cl)cc1)C1CCS(=O)CC1 Clc1ccc(cc1)[*:1] CN(C(=O)NCCNC(=O)[*:1])C1CCS(=O)CC1
CC(C)=C[C@H]1[C@@H](/C([O-])=C(/C#N)C(=O)Nc2ccccc2)C1(C)C c1ccc(cc1)[*:1] CC(C)=C[C@H]1[C@@H](/C([O-])=C(/C#N)C(=O)N[*:1])C1(C)C
CC(C)=C[C@H]1[C@@H](/C([O-])=C(/C#N)C(=O)Nc2ccccc2)C1(C)C CC(C)=C[*:1] CC1(C)[C@H]([C@H]1/C([O-])=C(/C#N)C(=O)Nc1ccccc1)[*:1]
C[C@@H](C(=O)N[C@@H]1CCSc2ccccc21)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)N[C@@H]1CCSc2ccccc21)[*:1]
CNC(=O)c1cc2c(=O)n3ccccc3nc2[n+](Cc2ccc(C)cc2)c1N CNC(=O)[*:1] Cc1ccc(cc1)C[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)[*:1]
CNC(=O)c1cc2c(=O)n3ccccc3nc2[n+](Cc2ccc(C)cc2)c1N Cc1ccc(cc1)[*:1] CNC(=O)c1cc2c(=O)n3ccccc3nc2[n+](C[*:1])c1N
CNC(=O)c1cc2c(=O)n3ccccc3nc2[n+](Cc2ccc(C)cc2)c1N Cc1ccc(cc1)C[*:1] CNC(=O)c1cc2c(=O)n3ccccc3nc2[n+](c1N)[*:1]
COc1ccc([C@@]2(O)CC(c3ccc(F)cc3)=[N+]3CCCCCN32)cc1 COc1ccc(cc1)[*:1] O[C@]1(CC(c2ccc(F)cc2)=[N+]2CCCCCN21)[*:1]
COc1ccc([C@@]2(O)CC(c3ccc(F)cc3)=[N+]3CCCCCN32)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@]1(O)CC(=[N+]2CCCCCN21)[*:1]
C[C@@H](CNC(=O)C1CCCCC1)c1ccccc1 C1CCC(CC1)[*:1] C[C@@H](CNC(=O)[*:1])c1ccccc1
C[C@@H](CNC(=O)C1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)C1CCCCC1)[*:1]
C=CCn1c(C2CC2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCC(C)CC1 C1CC1[*:1] C=CCn1c(nnc1[*:1])S(=O)(=O)[C@@H](C)C(=O)N1CCC(C)CC1
C=CCn1c(C2CC2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCC(C)CC1 C=CC[*:1] CC1CCN(CC1)C(=O)[C@H](C)S(=O)(=O)c1nnc(C2CC2)n1[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CN2Cc3c(ccc(OC)c3[C@H](O)C2)OC)C1=O)[*:1]
Cc1occc1C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl Cc1occc1[*:1] O=C(Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)[*:1]
CCOc1ccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])[C@@H]1NC(=O)c2ccc(Cl)cc2N1
CCOc1ccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])[C@@H]1NC(=O)c2ccc(Cl)cc2N1
COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1Br Cc1ccc(cc1)[*:1] COc1ccc(cc1Br)C(=O)NNC(=O)[*:1]
CS[C@H]1CCC[C@H]1N(C)C(=O)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] CS[C@H]1CCC[C@H]1N(C)C(=O)c1ccc(nc1)[*:1]
CS[C@H]1CCC[C@H]1N(C)C(=O)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] CS[C@H]1CCC[C@H]1N(C)C(=O)c1ccc(nc1)O[*:1]
CS[C@H]1CCC[C@H]1N(C)C(=O)c1ccc(OCC(F)F)nc1 FC(F)[*:1] CS[C@H]1CCC[C@H]1N(C)C(=O)c1ccc(nc1)OC[*:1]
CC[C@H](NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1nccs1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)[C@H](C)n1nnc(n1)[*:1])c1nccs1
CC[C@H](NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1nccs1 CC[C@H](c1nccs1)[*:1] C[C@@H](C(=O)N[*:1])n1nnc(n1)-c1ccccc1
CC[C@H](NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)[C@H](C)n1nnc(n1)-c1ccccc1)[*:1]
C[C@H](SCc1ccc(F)cc1Cl)c1nc(C2CC2)no1 C1CC1[*:1] C[C@H](SCc1ccc(F)cc1Cl)c1nc(no1)[*:1]
Cc1ccc(Cl)cc1N1C[C@@H](C(=O)NCc2ccco2)CC1=O c1coc(c1)C[*:1] Cc1ccc(Cl)cc1N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1ccc(Cl)cc1N1C[C@@H](C(=O)NCc2ccco2)CC1=O c1coc(c1)[*:1] Cc1ccc(Cl)cc1N1C[C@H](CC1=O)C(=O)NC[*:1]
CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2cc(C(=O)OC)ccc21 CC(C)[*:1] CCn1/c(=N\C(=O)c2ccc(cc2)S(=O)(=O)[*:1])sc2cc(ccc21)C(=O)OC
CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2cc(C(=O)OC)ccc21 CC(C)S(=O)(=O)[*:1] CCn1/c(=N\C(=O)c2ccc(cc2)[*:1])sc2cc(ccc21)C(=O)OC
CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2cc(C(=O)OC)ccc21 COC(=O)[*:1] CCn1/c(=N\C(=O)c2ccc(cc2)S(=O)(=O)C(C)C)sc2cc(ccc21)[*:1]
COc1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)NC(=O)Cn1c(C[*:1])nc2ccccc21
COc1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C(Cn1c(COc2ccccc2)nc2ccccc21)N[*:1]
COc1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 c1ccc(cc1)OC[*:1] COc1ccc(cc1)NC(=O)Cn1c(nc2ccccc21)[*:1]
COc1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Cn1c(CO[*:1])nc2ccccc21
Cc1noc(C)c1CCN[C@H](C)c1nccs1 c1csc(n1)[*:1] Cc1noc(C)c1CCN[C@H](C)[*:1]
CNC(=O)C1=C2CC[C@@H](c3ccccc3)C[C@@H]2SC1=N CNC(=O)[*:1] N=C1S[C@H]2C[C@@H](CCC2=C1[*:1])c1ccccc1
CNC(=O)C1=C2CC[C@@H](c3ccccc3)C[C@@H]2SC1=N c1ccc(cc1)[*:1] CNC(=O)C1C(=N)S[C@H]2C[C@H](CCC=12)[*:1]
O=C(CCn1nnc2ccccc2c1=O)NNC(=O)c1ccccn1 c1ccc(nc1)[*:1] O=C(CCn1nnc2ccccc2c1=O)NNC(=O)[*:1]
COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCCC1(C)C COC(=O)[*:1] CC1(C)CCC[NH+]1CCCN1C(=O)CSC1=C[*:1]
CCC(=O)Nc1nnc(SCC(=O)Nc2cccc(C)c2)s1 CCC(=O)N[*:1] Cc1cccc(c1)NC(=O)CSc1nnc(s1)[*:1]
CCC(=O)Nc1nnc(SCC(=O)Nc2cccc(C)c2)s1 Cc1cccc(c1)[*:1] CCC(=O)Nc1nnc(SCC(=O)N[*:1])s1
COc1c(C(=O)NCc2coc(-c3ccc(C)cc3)n2)c(C)nn1C Cc1ccc(cc1)[*:1] COc1c(C(=O)NCc2coc(n2)[*:1])c(C)nn1C
Cc1ccc([C@@H]2C[C@H]2C(=O)N(Cc2cccs2)CC(F)(F)F)s1 FC(F)(F)C[*:1] Cc1ccc(s1)[C@@H]1C[C@H]1C(=O)N(Cc1cccs1)[*:1]
Cc1ccc([C@@H]2C[C@H]2C(=O)N(Cc2cccs2)CC(F)(F)F)s1 Cc1ccc(s1)[*:1] O=C([C@@H]1C[C@H]1[*:1])N(Cc1cccs1)CC(F)(F)F
Cc1ccc([C@@H]2C[C@H]2C(=O)N(Cc2cccs2)CC(F)(F)F)s1 c1csc(c1)C[*:1] Cc1ccc(s1)[C@@H]1C[C@H]1C(=O)N(CC(F)(F)F)[*:1]
Cc1ccc([C@@H]2C[C@H]2C(=O)N(Cc2cccs2)CC(F)(F)F)s1 FC(F)(F)[*:1] Cc1ccc(s1)[C@@H]1C[C@H]1C(=O)N(Cc1cccs1)C[*:1]
Cc1ccc([C@@H]2C[C@H]2C(=O)N(Cc2cccs2)CC(F)(F)F)s1 c1csc(c1)[*:1] Cc1ccc(s1)[C@@H]1C[C@H]1C(=O)N(CC(F)(F)F)C[*:1]
Cc1nc([C@H]2CCCN(C(=O)C3=Cc4ccccc4OC=C3)C2)cc(=O)[nH]1 Cc1nc(cc(=O)[nH]1)[*:1] O=C(C1C=COc2ccccc2C=1)N1CCC[C@@H](C1)[*:1]
CCCCc1ccc(-n2nnnc2S[C@H]2CCCCNC2=O)cc1 CCC[*:1] O=C1NCCCC[C@@H]1Sc1nnnn1-c1ccc(cc1)C[*:1]
CCCCc1ccc(-n2nnnc2S[C@H]2CCCCNC2=O)cc1 CCCC[*:1] O=C1NCCCC[C@@H]1Sc1nnnn1-c1ccc(cc1)[*:1]
CCN(CC(C)(C)C[NH3+])C(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] CCN(CC(C)(C)C[NH3+])C(=O)c1ccccc1[*:1]
Cc1nc([C@@H](C[NH3+])CC(C)C)n[nH]1 CC(C)C[*:1] Cc1nc(n[nH]1)[C@@H](C[NH3+])[*:1]
Cc1nc([C@@H](C[NH3+])CC(C)C)n[nH]1 CC(C)[*:1] Cc1nc(n[nH]1)[C@@H](C[NH3+])C[*:1]
CC(C)[C@@H]1CCCN(C(=O)[C@H]2CCCCC[C@@H]2[NH3+])CC1 CC(C)[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)N1CCC[C@H](CC1)[*:1]
C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)C1 CN(C)C(=O)[*:1] C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(F)c(c2)[*:1])C1
Cc1ccc(-c2nnc([C@H](C)Sc3nnc(N)s3)o2)cc1 Nc1nnc(s1)[*:1] Cc1ccc(cc1)-c1nnc(o1)[C@H](C)S[*:1]
Cc1ccc(-c2nnc([C@H](C)Sc3nnc(N)s3)o2)cc1 Nc1nnc(S[*:1])s1 Cc1ccc(cc1)-c1nnc(o1)[C@H](C)[*:1]
Cc1ccc(-c2nnc([C@H](C)Sc3nnc(N)s3)o2)cc1 Cc1ccc(cc1)[*:1] C[C@H](Sc1nnc(N)s1)c1nnc(o1)[*:1]
COC(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@@H]2C)o1 COC(=O)[*:1] C[C@H]1C[C@H]1c1ccc(C=C(C#N)[*:1])o1
COC(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@@H]2C)o1 C[C@H]1C[C@H]1[*:1] COC(=O)/C(C#N)=C/c1ccc(o1)[*:1]
Cc1noc([C@@H](C)S(=O)(=O)[C@H](C)c2ccccc2F)n1 Cc1noc(n1)[*:1] C[C@H](c1ccccc1F)S(=O)(=O)[C@H](C)[*:1]
COc1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)NC(=O)C1(CCCC1)[*:1]
CCN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N(CC)C1=S O=[N+]([O-])[*:1] CCN1C(=O)C2(Cc3cc(ccc3N3CCCC[C@@H]32)[*:1])C(=O)N(CC)C1=S
O=C(NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccccc1 FC(F)(F)[*:1] O=C(NNC(=O)c1ccc(o1)-c1cccc(c1)[*:1])Nc1ccccc1
O=C(NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NNC(=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F)N[*:1]
C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)Oc1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C=C[*:1])C(=O)Oc1ccc(F)cc1
C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)O[*:1]
O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Br)cn1 O=C1CCCC[C@H]1[*:1] O=C(c1ccc(Br)cn1)N1CCC[C@@H]1[*:1]
O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Br)cn1 Brc1ccc(nc1)[*:1] O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)[*:1]
COCc1cc(NC(=O)N(Cc2ccccc2F)C2CCC2)ncn1 Fc1ccccc1[*:1] COCc1cc(ncn1)NC(=O)N(C[*:1])C1CCC1
COCc1cc(NC(=O)N(Cc2ccccc2F)C2CCC2)ncn1 C1CC(C1)[*:1] COCc1cc(ncn1)NC(=O)N(Cc1ccccc1F)[*:1]
COCc1cc(NC(=O)N(Cc2ccccc2F)C2CCC2)ncn1 COC[*:1] O=C(Nc1cc(ncn1)[*:1])N(Cc1ccccc1F)C1CCC1
COCc1cc(NC(=O)N(Cc2ccccc2F)C2CCC2)ncn1 Fc1ccccc1C[*:1] COCc1cc(ncn1)NC(=O)N(C1CCC1)[*:1]
Cc1noc(CNC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 Cc1noc(n1)[*:1] O=C(NC[*:1])N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1
Cc1noc(CNC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 Cc1noc(C[*:1])n1 O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)N[*:1]
Cc1noc(CNC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1noc(CNC(=O)N[C@@H]2CCO[C@@H]2[*:1])n1
COc1ccc2c(c1)CCN(C(=O)c1nc(-c3cnccn3)no1)C2 c1cnc(cn1)[*:1] COc1ccc2CN(CCc2c1)C(=O)c1nc(no1)[*:1]
CC1(C)CCCC[C@@H]1Nc1ccc(F)cc1C(N)=S NC(=S)[*:1] CC1(C)CCCC[C@@H]1Nc1ccc(F)cc1[*:1]
CCS(=O)(=O)CCNC(=O)c1cnn2cc(Br)cnc12 CCS(=O)(=O)C[*:1] O=C(NC[*:1])c1cnn2cc(Br)cnc12
CCS(=O)(=O)CCNC(=O)c1cnn2cc(Br)cnc12 CCS(=O)(=O)[*:1] O=C(NCC[*:1])c1cnn2cc(Br)cnc12
COCCCNc1cc(C)c(Br)cn1 COCC[*:1] Cc1cc(ncc1Br)NC[*:1]
COCCCNc1cc(C)c(Br)cn1 COC[*:1] Cc1cc(ncc1Br)NCC[*:1]
C[C@@]1(c2ccccc2)O[C@@H](COC(N)=O)CS1 NC(=O)O[*:1] C[C@]1(O[C@H](CS1)C[*:1])c1ccccc1
C[C@@]1(c2ccccc2)O[C@@H](COC(N)=O)CS1 NC(=O)OC[*:1] C[C@]1(O[C@@H](CS1)[*:1])c1ccccc1
O=C(CCC1CCCC1)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1 C1CCC(C1)[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1
O=C(CCC1CCCC1)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1 C1CCC(C1)CC[*:1] O=C(COc1ccc(cc1)-c1ccccc1)N1CCN(CC1)C(=O)[*:1]
O=C(CCC1CCCC1)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1 C1CCC(C1)C[*:1] O=C(COc1ccc(cc1)-c1ccccc1)N1CCN(CC1)C(=O)C[*:1]
O=C(CCC1CCCC1)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] O=C(CCC1CCCC1)N1CCN(CC1)C(=O)COc1ccc(cc1)[*:1]
C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] C[C@@H](CNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)[*:1]
C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1c(Cl)cccc1Cl O=S(=O)(N1CCOCC1)[*:1] C[C@@H](CNC(=O)c1cccc(c1)[*:1])c1c(Cl)cccc1Cl
CC(=O)Nc1cccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1 CC(=O)N[*:1] O=C(/C=C/c1c(Cl)cccc1Cl)Nc1cccc(c1)[*:1]
Cc1ccc(/C=N\NC(=O)c2cc(O)cc(O)c2)o1 Cc1ccc(o1)[*:1] O=C(NN=C[*:1])c1cc(O)cc(O)c1
CC[C@@H](C)CN(CC)[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] CC[C@@H](C)C[*:1] CCN([C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+])[*:1]
CC[C@@H](C)CN(CC)[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] Clc1ccc(s1)[*:1] CC[C@@H](C)CN(CC)[C@@H]([C@@H](C)[NH3+])[*:1]
CC[C@@H](C)CN(CC)[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] CC[C@@H](C)[*:1] CCN(C[*:1])[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+]
CO[C@@]1(C)C[C@H](NS(=O)(=O)CCCC#N)C1(C)C N#CCCC[*:1] CO[C@@]1(C)C[C@H](NS(=O)(=O)[*:1])C1(C)C
CO[C@@]1(C)C[C@H](NS(=O)(=O)CCCC#N)C1(C)C N#CC[*:1] CO[C@@]1(C)C[C@H](NS(=O)(=O)CC[*:1])C1(C)C
CO[C@@]1(C)C[C@H](NS(=O)(=O)CCCC#N)C1(C)C N#CCC[*:1] CO[C@@]1(C)C[C@H](NS(=O)(=O)C[*:1])C1(C)C
Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2C#N)c1 N#Cc1ccccc1C[*:1] Cc1ccccc1C(=O)N/N=C/c1cccc(c1)O[*:1]
Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2C#N)c1 N#Cc1ccccc1[*:1] Cc1ccccc1C(=O)N/N=C/c1cccc(c1)OC[*:1]
Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2C#N)c1 Cc1ccccc1[*:1] N#Cc1ccccc1COc1cccc(/C=N/NC(=O)[*:1])c1
Cc1ccc(C[C@@H](C)NC(=O)CCNC(=O)c2ccc(F)cc2F)s1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(C[C@@H](C)NC(=O)CCNC(=O)[*:1])s1
Cc1ccc(C[C@@H](C)NC(=O)CCNC(=O)c2ccc(F)cc2F)s1 Cc1ccc(C[*:1])s1 C[C@@H](NC(=O)CCNC(=O)c1ccc(F)cc1F)[*:1]
Cc1ccc(C[C@@H](C)NC(=O)CCNC(=O)c2ccc(F)cc2F)s1 Cc1ccc(s1)[*:1] C[C@H](C[*:1])NC(=O)CCNC(=O)c1ccc(F)cc1F
CCOc1cc2c(cc1NC(=O)c1nc3nccc(C)n3n1)O[C@@H](C)C2 CCO[*:1] Cc1ccnc2nc(nn12)C(=O)Nc1cc2O[C@@H](C)Cc2cc1[*:1]
CC[C@](C)(O)CCCC(C)C CC(C)[*:1] CC[C@](C)(O)CCC[*:1]
O=C(CCn1cnc([N+](=O)[O-])c1)N[C@@H](c1cccs1)C1CCCC1 O=[N+]([O-])c1cn(cn1)[*:1] O=C(CC[*:1])N[C@@H](c1cccs1)C1CCCC1
O=C(CCn1cnc([N+](=O)[O-])c1)N[C@@H](c1cccs1)C1CCCC1 C1CCC(C1)[*:1] O=C(CCn1cnc(c1)[N+](=O)[O-])N[C@@H](c1cccs1)[*:1]
O=C(CCn1cnc([N+](=O)[O-])c1)N[C@@H](c1cccs1)C1CCCC1 O=[N+]([O-])[*:1] O=C(CCn1cnc(c1)[*:1])N[C@@H](c1cccs1)C1CCCC1
O=C(CCn1cnc([N+](=O)[O-])c1)N[C@@H](c1cccs1)C1CCCC1 c1csc(c1)[*:1] O=C(CCn1cnc(c1)[N+](=O)[O-])N[C@@H](C1CCCC1)[*:1]
CN(CCOCC1CC1)C(=O)c1sc2ncccc2c1N C1CC1CO[*:1] CN(CC[*:1])C(=O)c1sc2ncccc2c1N
CN(CCOCC1CC1)C(=O)c1sc2ncccc2c1N C1CC1[*:1] CN(CCOC[*:1])C(=O)c1sc2ncccc2c1N
CN(CCOCC1CC1)C(=O)c1sc2ncccc2c1N C1CC1C[*:1] CN(CCO[*:1])C(=O)c1sc2ncccc2c1N
CN(CCOCC1CC1)C(=O)c1sc2ncccc2c1N C1CC1COC[*:1] CN(C[*:1])C(=O)c1sc2ncccc2c1N
CN(CCOCC1CC1)C(=O)c1sc2ncccc2c1N C(C[*:1])OCC1CC1 CN(C(=O)c1sc2ncccc2c1N)[*:1]
CCO[C@H]1C[C@H]1C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 O=C1OCCN1[*:1] CCO[C@H]1C[C@H]1C(=O)Nc1ccc(C)c(c1)[*:1]
CCO[C@H]1C[C@H]1C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 CCO[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)[C@@H]1C[C@@H]1[*:1]
CCCn1nc(C(=O)NNC(=O)c2cccc(C)c2C)c2ccccc2c1=O Cc1cccc(c1C)[*:1] CCCn1nc(C(=O)NNC(=O)[*:1])c2ccccc2c1=O
CCCn1nc(C(=O)NNC(=O)c2cccc(C)c2C)c2ccccc2c1=O CCC[*:1] Cc1cccc(C(=O)NNC(=O)c2nn(c(=O)c3ccccc23)[*:1])c1C
Cc1ccc2c(c1)CCN2C(=O)NCCOc1ccccc1 c1ccc(cc1)O[*:1] Cc1ccc2c(c1)CCN2C(=O)NCC[*:1]
Cc1ccc2c(c1)CCN2C(=O)NCCOc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc2c(c1)CCN2C(=O)NCCO[*:1]
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCn2cnc3ccccc32)c1 c1ccc2c(c1)ncn2C[*:1] CN1CCC/C1=N\S(=O)(=O)c1cccc(c1)NC(=O)C[*:1]
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCn2cnc3ccccc32)c1 CN1CCC/C1=N\S(=O)(=O)[*:1] O=C(CCn1cnc2ccccc21)Nc1cccc(c1)[*:1]
CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCn2cnc3ccccc32)c1 c1ccc2c(c1)ncn2[*:1] CN1CCC/C1=N\S(=O)(=O)c1cccc(c1)NC(=O)CC[*:1]
CC(C)(C)[C@@H](C#N)NC(=O)c1ccc2c(c1)COCO2 CC(C)(C)[*:1] N#C[C@@H](NC(=O)c1ccc2OCOCc2c1)[*:1]
CNC(=O)c1ccc(NC(=O)NCCOc2cccc3ccccc23)cc1 CNC(=O)[*:1] O=C(NCCOc1cccc2ccccc12)Nc1ccc(cc1)[*:1]
O=C([C@@H]1CCCN1C(=O)[C@H]1CCCO1)N1CCOCC1 C1CO[C@H](C1)[*:1] O=C([C@@H]1CCCN1C(=O)[*:1])N1CCOCC1
Cc1ccc(O)c(C(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] Cc1ccc(O)c(c1)C(=O)NC[C@@H](O)COc1ccc(cc1)[*:1]
Cc1ccc(O)c(C(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 Cc1ccc(O)c(c1)[*:1] O=C(NC[C@@H](O)COc1ccc(cc1)C(F)(F)F)[*:1]
Cc1ccc2c(c1)=C1S[C@H](C(=O)[O-])C=C1C(=O)[NH+]=2 O=C([O-])[*:1] Cc1ccc2=[NH+]C(=O)C3=C[C@@H](SC3=c2c1)[*:1]
O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 c1cncc(c1)[*:1] O=C(c1ccc(F)cc1)N1CCC[C@@H](C1)c1nc(ncc1[*:1])N1CCOCC1
O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 C1CN(CCO1)[*:1] O=C(c1ccc(F)cc1)N1CCC[C@@H](C1)c1nc(ncc1-c1cccnc1)[*:1]
O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 Fc1ccc(cc1)[*:1] O=C(N1CCC[C@@H](C1)c1nc(ncc1-c1cccnc1)N1CCOCC1)[*:1]
CN1[C@H]2CC[C@@H]1c1c(nc(N)c(C#N)c1-c1ccc(-n3cccn3)cc1)C2 c1cnn(c1)[*:1] CN1[C@H]2CC[C@@H]1c1c(C2)nc(N)c(C#N)c1-c1ccc(cc1)[*:1]
O=C(CCNC1=NC=NC2=NC=N[C@@H]21)NCCO O=C(NCCO)[*:1] C1=NC2=NC=N[C@@H]2C(=N1)NCC[*:1]
O=C(CCNC1=NC=NC2=NC=N[C@@H]21)NCCO OCC[*:1] O=C(CCNC1=NC=NC2=NC=N[C@@H]21)N[*:1]
C[C@H](O)Cc1ccc2c(c1)CC[NH2+]C2 C[C@H](O)C[*:1] c1cc2C[NH2+]CCc2cc1[*:1]
C[C@H](O)Cc1ccc2c(c1)CC[NH2+]C2 C[C@H](O)[*:1] c1cc2C[NH2+]CCc2cc1C[*:1]
CC(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O CC(C)[*:1] C[C@]1(NC(=O)N(CC(=O)NC(=O)N[*:1])C1=O)c1cccc2ccccc12
CC(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O CC(C)NC(=O)NC(=O)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cccc2ccccc12
O=C(CN(C(=O)c1csnn1)c1cccc2c1CCCC2)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN(C(=O)c1csnn1)c1cccc2CCCCc21)NC[*:1]
O=C(CN(C(=O)c1csnn1)c1cccc2c1CCCC2)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN(C(=O)c1csnn1)c1cccc2CCCCc21)N[*:1]
O=C(CN(C(=O)c1csnn1)c1cccc2c1CCCC2)NCc1ccccc1 c1snnc1[*:1] O=C(CN(C(=O)[*:1])c1cccc2CCCCc21)NCc1ccccc1
Cc1ccc(OC[C@H](O)CS(=O)(=O)Cc2ccccc2)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(OC[C@H](O)CS(=O)(=O)[*:1])c(C)c1
Cc1ccc(OC[C@H](O)CS(=O)(=O)Cc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(OC[C@H](O)CS(=O)(=O)C[*:1])c(C)c1
O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(COc1ccc(cc1)-n1cnnn1)N[*:1]
O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(I)cc1 c1nnnn1[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccc(I)cc1
CCn1ccnc(NCC2(CCO)CCCCC2)c1=O OCC[*:1] CCn1ccnc(NCC2(CCCCC2)[*:1])c1=O
COC(=O)C[C@H](Cc1cccs1)c1ccccc1 COC(=O)[*:1] c1ccc(cc1)[C@@H](Cc1cccs1)C[*:1]
COC(=O)C[C@H](Cc1cccs1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C[C@H](Cc1cccs1)[*:1]
COC(=O)C[C@H](Cc1cccs1)c1ccccc1 COC(=O)C[*:1] c1ccc(cc1)[C@@H](Cc1cccs1)[*:1]
COC(=O)C[C@H](Cc1cccs1)c1ccccc1 c1csc(c1)C[*:1] COC(=O)C[C@H](c1ccccc1)[*:1]
COC(=O)C[C@H](Cc1cccs1)c1ccccc1 c1csc(c1)[*:1] COC(=O)C[C@H](C[*:1])c1ccccc1
CO[C@@H](C)[C@H]([NH3+])c1ccccc1F CO[C@@H](C)[*:1] [NH3+][C@H](c1ccccc1F)[*:1]
O=C(NCC(F)(F)F)NNC(=O)c1ccc(Br)c(F)c1 FC(F)(F)[*:1] O=C(NC[*:1])NNC(=O)c1ccc(Br)c(F)c1
O=C(NCC(F)(F)F)NNC(=O)c1ccc(Br)c(F)c1 FC(F)(F)C[*:1] O=C(NNC(=O)c1ccc(Br)c(F)c1)N[*:1]
CCOc1ccc([C@@H]([NH3+])CC2CC2)c(Br)c1 C1CC1[*:1] CCOc1ccc(c(Br)c1)[C@@H]([NH3+])C[*:1]
CCOc1ccc([C@@H]([NH3+])CC2CC2)c(Br)c1 C1CC1C[*:1] CCOc1ccc(c(Br)c1)[C@@H]([NH3+])[*:1]
CCOc1ccc([C@@H]([NH3+])CC2CC2)c(Br)c1 CCO[*:1] [NH3+][C@@H](CC1CC1)c1ccc(cc1Br)[*:1]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccncc4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 c1cc(ccn1)C[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccncc4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 c1cc(ccn1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(c1)[N+](=O)[O-]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccncc4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(Cc2ccncc2)[C@@H]1[*:1]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccncc4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 O=[N+]([O-])[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(Cc2ccncc2)[C@H]1c1cccc(c1)[*:1]
CNC(=O)NCC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 CNC(=O)N[*:1] C[C@H]1CN(CCO1)Cc1cccc(c1)CNC(=O)C[*:1]
CNC(=O)NCC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 CNC(=O)NC[*:1] C[C@H]1CN(CCO1)Cc1cccc(c1)CNC(=O)[*:1]
CNC(=O)NCC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 C[C@H]1CN(CCO1)C[*:1] CNC(=O)NCC(=O)NCc1cccc(c1)[*:1]
Cc1nc(CC(=O)N2[C@H]3CC[C@@H]2Cc2nc(N4CCC[C@H](O)C4)ncc23)cs1 Cc1nc(cs1)C[*:1] O=C(N1[C@H]2CC[C@@H]1Cc1nc(ncc12)N1CCC[C@H](O)C1)[*:1]
Cc1nc(CC(=O)N2[C@H]3CC[C@@H]2Cc2nc(N4CCC[C@H](O)C4)ncc23)cs1 O[C@H]1CCCN(C1)[*:1] Cc1nc(cs1)CC(=O)N1[C@H]2CC[C@@H]1Cc1nc(ncc12)[*:1]
Cc1nc(CC(=O)N2[C@H]3CC[C@@H]2Cc2nc(N4CCC[C@H](O)C4)ncc23)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N1[C@H]2CC[C@@H]1Cc1nc(ncc12)N1CCC[C@H](O)C1
Cc1nc(-c2ccc(CCNC(=O)N3CCOCC[C@@H]3C)cc2)cs1 Cc1nc(cs1)[*:1] C[C@H]1CCOCCN1C(=O)NCCc1ccc(cc1)[*:1]
CCOc1ccccc1N1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CCOc1ccccc1N1CCN(CC1)C(=O)c1ccc(OC)c(c1)[*:1]
CCOc1ccccc1N1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 CCO[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N1CCN(CC1)c1ccccc1[*:1]
CCOc1ccccc1N1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 CCOc1ccccc1[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N1CCN(CC1)[*:1]
CC(C)(C)N1C[C@H](C(=O)Nc2c(Br)cc(Br)cc2Br)CC1=O CC(C)(C)[*:1] O=C(Nc1c(Br)cc(Br)cc1Br)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 Clc1ccc(cc1Cl)[*:1] COc1ccc(C(=O)N/N=C(\C)CC(=O)N[*:1])c(c1)OC
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] C[C@]1(NC(=O)N(Cc2ccc(cc2)[*:1])C1=O)c1ccc(Cl)cc1
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O Clc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(Cc2ccc(cc2)[N+](=O)[O-])C1=O)[*:1]
Cc1cc(C)cc(N2CC[C@H](C(=O)NC(C(N)=O)C(N)=O)C2=O)c1 NC(=O)C(C(N)=O)[*:1] Cc1cc(C)cc(c1)N1CC[C@H](C(=O)N[*:1])C1=O
Cc1cc(C)cc(N2CC[C@H](C(=O)NC(C(N)=O)C(N)=O)C2=O)c1 Cc1cc(C)cc(c1)[*:1] NC(=O)C(NC(=O)[C@H]1CCN(C1=O)[*:1])C(N)=O
Cc1cc(C)cc(N2CC[C@H](C(=O)NC(C(N)=O)C(N)=O)C2=O)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)N1CC[C@H](C(=O)NC(C(N)=O)[*:1])C1=O
CCCC[NH2+][C@H](C)c1ccn(C)c1 CCCC[*:1] C[C@@H]([NH2+][*:1])c1ccn(C)c1
CCCC[NH2+][C@H](C)c1ccn(C)c1 CCC[*:1] C[C@@H]([NH2+]C[*:1])c1ccn(C)c1
C[C@@H]1CCCc2[nH+]cc([C@H](CC(=O)NCc3ccccc3)c3cccc(F)c3)n21 Fc1cccc(c1)[*:1] C[C@@H]1CCCc2[nH+]cc([C@H](CC(=O)NCc3ccccc3)[*:1])n21
C[C@@H]1CCCc2[nH+]cc([C@H](CC(=O)NCc3ccccc3)c3cccc(F)c3)n21 c1ccc(cc1)C[*:1] C[C@@H]1CCCc2[nH+]cc([C@H](CC(=O)N[*:1])c3cccc(F)c3)n21
C[C@@H]1CCCc2[nH+]cc([C@H](CC(=O)NCc3ccccc3)c3cccc(F)c3)n21 c1ccc(cc1)[*:1] C[C@@H]1CCCc2[nH+]cc([C@H](CC(=O)NC[*:1])c3cccc(F)c3)n21
Cn1ccc(CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)c1 Cn1ccc(c1)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)NC[*:1]
Cn1ccc(CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)c1 Cn1ccc(c1)C[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N[*:1]
Cn1ccc(CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)c1 CC(C)(C)[*:1] Cn1ccc(c1)CNC(=O)C(=O)Nc1ccnn1[*:1]
C[C@@H]1Sc2ccc(S(=O)(=O)N3CCC(C(=O)NCCc4cccs4)CC3)cc2NC1=O c1csc(c1)CC[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@@H]1Sc2ccc(S(=O)(=O)N3CCC(C(=O)NCCc4cccs4)CC3)cc2NC1=O c1csc(c1)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
C[C@@H]1Sc2ccc(S(=O)(=O)N3CCC(C(=O)NCCc4cccs4)CC3)cc2NC1=O c1csc(c1)C[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
C[C@@H]1Sc2ccc(S(=O)(=O)N3CCC(C(=O)NCCc4cccs4)CC3)cc2NC1=O O=C(NCCc1cccs1)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)[*:1]
COC(=O)Nc1cc(NC(=O)c2c(O)cc(F)cc2F)ccc1F COC(=O)N[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1c(O)cc(F)cc1F
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)nn1 Clc1ccc(nn1)[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)N[*:1]
C[C@@H](O)[C@@H](C)Sc1nc2ccccn2c1[N+](=O)[O-] C[C@@H](O)[*:1] C[C@@H](Sc1nc2ccccn2c1[N+](=O)[O-])[*:1]
C[C@@H](O)[C@@H](C)Sc1nc2ccccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](O)[C@@H](C)Sc1nc2ccccn2c1[*:1]
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(OC(F)F)c1 Clc1ccc(cc1Cl)[*:1] CN(CC(=O)N[*:1])C(=O)c1cccc(c1)OC(F)F
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(OC(F)F)c1 FC(F)[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(c1)O[*:1]
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(OC(F)F)c1 FC(F)O[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(c1)[*:1]
Cc1cc(C(=O)N2CCC[C@H](O)C2)sc1C#CCN NCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N1CCC[C@H](O)C1
CCN(C)c1ccc(C(=O)Nc2cc(NC(C)=O)ccc2C)cc1 CCN(C)[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)c1ccc(cc1)[*:1]
CCN(C)c1ccc(C(=O)Nc2cc(NC(C)=O)ccc2C)cc1 CC(=O)N[*:1] CCN(C)c1ccc(cc1)C(=O)Nc1cc(ccc1C)[*:1]
O=C(CS(=O)(=O)c1ccccc1Cl)Nc1cccc(Cl)c1Cl Clc1ccccc1[*:1] O=C(CS(=O)(=O)[*:1])Nc1cccc(Cl)c1Cl
COC(=O)Nc1cc(NCc2nc(C)no2)ccc1F Cc1noc(n1)[*:1] COC(=O)Nc1cc(ccc1F)NC[*:1]
COC(=O)Nc1cc(NCc2nc(C)no2)ccc1F COC(=O)N[*:1] Cc1noc(CNc2ccc(F)c(c2)[*:1])n1
COC(=O)[C@H]1CCN(Cc2nc(NN)c3ccsc3n2)C1 COC(=O)[*:1] NNc1nc(CN2CC[C@@H](C2)[*:1])nc2sccc12
COCCNC(=O)Nc1ccc(Cl)c(Cl)c1 COCC[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N[*:1]
COCCNC(=O)Nc1ccc(Cl)c(Cl)c1 COC[*:1] O=C(NC[*:1])Nc1ccc(Cl)c(Cl)c1
Cc1cccc2nc(CN(C3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c3ccc(C(C)C)cc3)cc(=O)n12 CC(C)c1ccc(cc1)[*:1] Cc1cccc2nc(cc(=O)n12)CN(C1=N[C@H]2CS(=O)(=O)C[C@H]2S1)[*:1]
Cc1cccc2nc(CN(C3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c3ccc(C(C)C)cc3)cc(=O)n12 CC(C)[*:1] Cc1cccc2nc(cc(=O)n12)CN(C1=N[C@H]2CS(=O)(=O)C[C@H]2S1)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(-c2ccc(/C=N/n3c([O-])nc4c([nH]c5cc(OC)ccc54)c3=O)o2)cc1 CCOC(=O)c1ccc(cc1)[*:1] COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(o3)[*:1])c([O-])nc12
CCOC(=O)c1ccc(-c2ccc(/C=N/n3c([O-])nc4c([nH]c5cc(OC)ccc54)c3=O)o2)cc1 CCOC(=O)[*:1] COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(o3)-c3ccc(cc3)[*:1])c([O-])nc12
CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2cc(C)c3ccccc3n2)cc1 CC(=O)[*:1] Cc1cc(nc2ccccc12)S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)c1ccc(cc1)Sc1ccccc1C#N
CN(C[C@@H](O)C1CC1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 N#Cc1ccccc1[*:1] CN(C[C@@H](O)C1CC1)C(=O)c1ccc(cc1)S[*:1]
CCS(=O)(=O)NCC1(N2CCSCC2)CCCCC1 CCS(=O)(=O)N[*:1] C1CCC(CC1)(C[*:1])N1CCSCC1
CCS(=O)(=O)NCC1(N2CCSCC2)CCCCC1 C1CN(CCS1)[*:1] CCS(=O)(=O)NCC1(CCCCC1)[*:1]
COC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCCCC2 COC(=O)[*:1] O=C(Nc1sc2CCCCCCc2c1[*:1])[C@@H]1CCCO1
CC(C)[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1CCc2ccccc21 O=[N+]([O-])[*:1] CC(C)[C@@H](Oc1cccnc1[*:1])C(=O)N1CCc2ccccc21
CC(C)[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1CCc2ccccc21 CC(C)[*:1] O=C([C@H](Oc1cccnc1[N+](=O)[O-])[*:1])N1CCc2ccccc21
COc1cccc(N2CC[C@H](CNC(=O)N(C)[C@@H](C)CSC)C2)c1 COc1cccc(c1)[*:1] CSC[C@H](C)N(C)C(=O)NC[C@H]1CCN(C1)[*:1]
COc1cccc(N2CC[C@H](CNC(=O)N(C)[C@@H](C)CSC)C2)c1 CSC[*:1] COc1cccc(c1)N1CC[C@H](CNC(=O)N(C)[C@@H](C)[*:1])C1
CCOc1cccc(-c2nc3c(C)nn(C)c3[nH]2)c1O CCO[*:1] Cc1nn(C)c2[nH]c(nc12)-c1cccc(c1O)[*:1]
Cc1ccsc1CNC(=O)c1ccc(C#CCCO)s1 OCCC#C[*:1] Cc1ccsc1CNC(=O)c1ccc(s1)[*:1]
Cc1ccsc1CNC(=O)c1ccc(C#CCCO)s1 Cc1ccsc1[*:1] O=C(NC[*:1])c1ccc(C#CCCO)s1
Cc1ccsc1CNC(=O)c1ccc(C#CCCO)s1 OCC[*:1] Cc1ccsc1CNC(=O)c1ccc(C#C[*:1])s1
O=C1CCC(=O)N1CC(=O)N(CCCN1CCOCC1)c1nc2ccc(Br)cc2s1 C1CN(CCO1)[*:1] O=C1CCC(=O)N1CC(=O)N(CCC[*:1])c1nc2ccc(Br)cc2s1
O=C1CCC(=O)N1CC(=O)N(CCCN1CCOCC1)c1nc2ccc(Br)cc2s1 C(CN1CCOCC1)C[*:1] O=C1CCC(=O)N1CC(=O)N(c1nc2ccc(Br)cc2s1)[*:1]
O=C1CCC(=O)N1CC(=O)N(CCCN1CCOCC1)c1nc2ccc(Br)cc2s1 O=C1CCC(=O)N1[*:1] O=C(C[*:1])N(CCCN1CCOCC1)c1nc2ccc(Br)cc2s1
O=C1CCC(=O)N1CC(=O)N(CCCN1CCOCC1)c1nc2ccc(Br)cc2s1 C1CN(CCO1)C[*:1] O=C1CCC(=O)N1CC(=O)N(CC[*:1])c1nc2ccc(Br)cc2s1
O=C1CCC(=O)N1CC(=O)N(CCCN1CCOCC1)c1nc2ccc(Br)cc2s1 Brc1ccc2nc(sc2c1)[*:1] O=C1CCC(=O)N1CC(=O)N(CCCN1CCOCC1)[*:1]
O=C1CCC(=O)N1CC(=O)N(CCCN1CCOCC1)c1nc2ccc(Br)cc2s1 O=C1CCC(=O)N1C[*:1] O=C(N(CCCN1CCOCC1)c1nc2ccc(Br)cc2s1)[*:1]
O=C1CCC(=O)N1CC(=O)N(CCCN1CCOCC1)c1nc2ccc(Br)cc2s1 C1CN(CCO1)CC[*:1] O=C1CCC(=O)N1CC(=O)N(C[*:1])c1nc2ccc(Br)cc2s1
O=C(CN1C(=O)CNC1=O)N(Cc1cccs1)Cc1cccs1 c1csc(c1)C[*:1] O=C1CNC(=O)N1CC(=O)N(Cc1cccs1)[*:1]
O=C(CN1C(=O)CNC1=O)N(Cc1cccs1)Cc1cccs1 O=C1CNC(=O)N1[*:1] O=C(C[*:1])N(Cc1cccs1)Cc1cccs1
O=C(CN1C(=O)CNC1=O)N(Cc1cccs1)Cc1cccs1 c1csc(c1)[*:1] O=C(CN1C(=O)CNC1=O)N(Cc1cccs1)C[*:1]
CC[C@H](CC1CC1)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[C@H](CC1CC1)[NH2+][C@H]1CCC[C@H](C1)[*:1]
CC[C@H](CC1CC1)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 C1CC1[*:1] CC[C@H](C[*:1])[NH2+][C@H]1CCC[C@@H](C1)S(C)(=O)=O
CC[C@H](CC1CC1)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 C1CC1C[*:1] CC[C@H]([NH2+][C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
Cc1ccc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])cc1Cl Cc1ccc(cc1Cl)[*:1] O=[N+]([O-])c1c(ncnc1N1CCOCC1)N[*:1]
Cc1ccc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])cc1Cl C1CN(CCO1)[*:1] Cc1ccc(cc1Cl)Nc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1ccc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] Cc1ccc(cc1Cl)Nc1ncnc(c1[*:1])N1CCOCC1
CCn1c(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccccc1OC COc1ccccc1[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C
O=C(CS(=O)(=O)Cc1ccc(F)cc1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CS(=O)(=O)Cc1ccc(F)cc1)N[*:1]
O=C(CS(=O)(=O)Cc1ccc(F)cc1)NCC(F)(F)F FC(F)(F)[*:1] O=C(CS(=O)(=O)Cc1ccc(F)cc1)NC[*:1]
C[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1ccccc1Br Brc1ccccc1[*:1] C[C@@H](NC(=O)CNC(=O)C1CCCCC1)[*:1]
C[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1ccccc1Br C1CCC(CC1)[*:1] C[C@@H](NC(=O)CNC(=O)[*:1])c1ccccc1Br
C[C@@](O)(CNC(=O)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1cccs1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1ccc(Cl)c(c1)N1CCCS1(=O)=O)[*:1]
C[C@@](O)(CNC(=O)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1cccs1 O=S1(=O)CCCN1[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1ccc(Cl)c(c1)[*:1])c1cccs1
Cc1nc(N2CCc3[nH]nc(C(C)C)c3C2)c2cccnc2n1 CC(C)[*:1] Cc1nc(c2cccnc2n1)N1CCc2[nH]nc(c2C1)[*:1]
O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1nnc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1nnc(o1)[*:1]
Cc1c(CN[C@H](C)[C@@H](C)c2nc3ccccc3s2)cnn1C Cc1c(cnn1C)[*:1] C[C@@H](NC[*:1])[C@@H](C)c1nc2ccccc2s1
Cc1cccc(C)c1NC(=O)[C@@H](C#N)Cc1cc2c(C)ccc(C)c2nc1Cl Cc1cccc(C)c1[*:1] Cc1ccc(C)c2nc(Cl)c(cc12)C[C@H](C#N)C(=O)N[*:1]
COc1ccc(OC)c([C@H]2CN(C(=O)c3ccco3)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 COc1ccc(OC)c(c1)[*:1] CN(Cc1ccccc1)C(=O)[C@H]1CN(C[C@@H]1[*:1])C(=O)c1ccco1
COc1ccc(OC)c([C@H]2CN(C(=O)c3ccco3)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 CN(Cc1ccccc1)C(=O)[*:1] COc1ccc(OC)c(c1)[C@H]1CN(C[C@H]1[*:1])C(=O)c1ccco1
COc1ccc(OC)c([C@H]2CN(C(=O)c3ccco3)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@H]1CN(C[C@@H]1C(=O)N(C)C[*:1])C(=O)c1ccco1
COc1ccc(OC)c([C@H]2CN(C(=O)c3ccco3)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 c1coc(c1)[*:1] COc1ccc(OC)c(c1)[C@H]1CN(C[C@@H]1C(=O)N(C)Cc1ccccc1)C(=O)[*:1]
COc1ccc(OC)c([C@H]2CN(C(=O)c3ccco3)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1ccc(OC)c(c1)[C@H]1CN(C[C@@H]1C(=O)N(C)[*:1])C(=O)c1ccco1
CC(=O)CSc1nnc(-c2ccccc2Cl)o1 CC(=O)[*:1] Clc1ccccc1-c1nnc(o1)SC[*:1]
CC(=O)CSc1nnc(-c2ccccc2Cl)o1 CC(=O)CS[*:1] Clc1ccccc1-c1nnc(o1)[*:1]
CC(=O)CSc1nnc(-c2ccccc2Cl)o1 CC(=O)C[*:1] Clc1ccccc1-c1nnc(o1)S[*:1]
C[C@H](N[C@@H]1CCc2cc3c(cc21)OCCO3)[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](N[C@@H]1CCc2cc3OCCOc3cc21)[C@H](O)[*:1]
COc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccc(Cl)cc2)ccc1O Oc1ccccc1[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1Cc1ccc(Cl)cc1)[*:1]
COc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccc(Cl)cc2)ccc1O Clc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1ccccc1O
COc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccc(Cl)cc2)ccc1O COc1cc(ccc1O)[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](N1Cc1ccc(Cl)cc1)[*:1]
COc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccc(Cl)cc2)ccc1O Clc1ccc(cc1)C[*:1] COc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccccc1O
N#C[C@]1([C@@H](O)c2ccc(Br)s2)CCc2ccccc21 Brc1ccc(s1)[*:1] N#C[C@@]1(CCc2ccccc21)[C@@H](O)[*:1]
CCOC(=O)C1CCN(C(=O)c2cnc3sc(C)cn3c2=O)CC1 CCOC(=O)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N1CCC(CC1)[*:1]
COC(=O)c1ccc(C(=O)Nc2c(F)cccc2Br)cc1 COC(=O)[*:1] O=C(Nc1c(F)cccc1Br)c1ccc(cc1)[*:1]
CC(C)(O)CCc1cccc(C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c1 CC(C)(O)C[*:1] O=C(c1cccc(c1)C[*:1])N1CCC[C@H](C1)c1cc(=O)[nH]cn1
CC(C)(O)CCc1cccc(C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c1 CC(C)(O)CC[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H](C1)c1cc(=O)[nH]cn1
CC(C)(O)CCc1cccc(C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c1 O=c1cc(nc[nH]1)[*:1] CC(C)(O)CCc1cccc(c1)C(=O)N1CCC[C@@H](C1)[*:1]
CC(C)(O)CCc1cccc(C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c1 CC(C)(O)[*:1] O=C(c1cccc(c1)CC[*:1])N1CCC[C@H](C1)c1cc(=O)[nH]cn1
COc1ccc2nc(N3CC(C(=O)N4CCN(CCc5ccccc5)CC4)C3)sc2c1 c1ccc(cc1)CC[*:1] COc1ccc2nc(sc2c1)N1CC(C1)C(=O)N1CCN(CC1)[*:1]
COc1ccc2nc(N3CC(C(=O)N4CCN(CCc5ccccc5)CC4)C3)sc2c1 c1ccc(cc1)[*:1] COc1ccc2nc(sc2c1)N1CC(C1)C(=O)N1CCN(CC1)CC[*:1]
COc1ccc2nc(N3CC(C(=O)N4CCN(CCc5ccccc5)CC4)C3)sc2c1 c1ccc(cc1)C[*:1] COc1ccc2nc(sc2c1)N1CC(C1)C(=O)N1CCN(CC1)C[*:1]
COC[C@@H](C)OC(=O)Cc1c(C)nc2c(c1C)c(=O)[nH]n2C COC[*:1] Cc1nc2c(c(C)c1CC(=O)O[C@H](C)[*:1])c(=O)[nH]n2C
COC[C@@H](C)OC(=O)Cc1c(C)nc2c(c1C)c(=O)[nH]n2C COC[C@@H](C)[*:1] Cc1nc2c(c(C)c1CC(=O)O[*:1])c(=O)[nH]n2C
CCC[C@H](C#N)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 CCC[*:1] N#C[C@H](NC(=O)[C@@]1(CCN(Cc2ccccc2)C1)C(F)(F)F)[*:1]
CCC[C@H](C#N)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 c1ccc(cc1)[*:1] CCC[C@H](C#N)NC(=O)[C@@]1(CCN(C1)C[*:1])C(F)(F)F
CCC[C@H](C#N)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CCC[C@H](C#N)NC(=O)[C@@]1(CCN(C1)[*:1])C(F)(F)F
CCC[C@H](C#N)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 FC(F)(F)[*:1] CCC[C@H](C#N)NC(=O)[C@@]1(CCN(Cc2ccccc2)C1)[*:1]
CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1nnc(CC)s1)C3=O O=[N+]([O-])c1cccc(c1)[*:1] CCc1ccc2oc3C(=O)N(c4nnc(CC)s4)[C@H](c3c(=O)c2c1)[*:1]
CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1nnc(CC)s1)C3=O CCc1nnc(s1)[*:1] CCc1ccc2oc3C(=O)N([C@H](c4cccc(c4)[N+](=O)[O-])c3c(=O)c2c1)[*:1]
CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1nnc(CC)s1)C3=O O=[N+]([O-])[*:1] CCc1ccc2oc3C(=O)N(c4nnc(CC)s4)[C@H](c4cccc(c4)[*:1])c3c(=O)c2c1
Cc1ccsc1CNC(=O)CN[C@H](C)c1ccccc1Cl Clc1ccccc1[*:1] Cc1ccsc1CNC(=O)CN[C@H](C)[*:1]
Cc1ccsc1CNC(=O)CN[C@H](C)c1ccccc1Cl Cc1ccsc1[*:1] C[C@@H](NCC(=O)NC[*:1])c1ccccc1Cl
Cc1ccsc1CNC(=O)CN[C@H](C)c1ccccc1Cl Cc1ccsc1C[*:1] C[C@@H](NCC(=O)N[*:1])c1ccccc1Cl
CC1=N[C@@H](SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)N=C1CC(C)C CC(C)[*:1] CC1=N[C@H](N=C1C[*:1])SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
CC1=N[C@@H](SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)N=C1CC(C)C NS(=O)(=O)[*:1] CC1=N[C@H](N=C1CC(C)C)SCC(=O)Nc1ccc(cc1)[*:1]
CC1=N[C@@H](SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)N=C1CC(C)C CC(C)C[*:1] CC1=N[C@H](N=C1[*:1])SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)N1CCN(c2cccc(C)c2C)CC1 O=C1CCCCCN1[*:1] CCn1c(C[*:1])nnc1SCC(=O)N1CCN(CC1)c1cccc(C)c1C
CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)N1CCN(c2cccc(C)c2C)CC1 O=C1CCCCCN1C[*:1] CCn1c(nnc1[*:1])SCC(=O)N1CCN(CC1)c1cccc(C)c1C
CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)N1CCN(c2cccc(C)c2C)CC1 Cc1cccc(c1C)[*:1] CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)N1CCN(CC1)[*:1]
CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2ccccc2c1=O CCC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1)c1nn(c(=O)c2ccccc12)[*:1]
COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)N3CCCc4ccccc43)cs2)c1 COc1cc(cc(c1)[*:1])OC O=C(Cc1csc(n1)NC(=O)[*:1])N1CCCc2ccccc21
CCC[NH2+][C@H](c1ccc(OC)cc1)c1ccc(F)cn1 CCC[*:1] COc1ccc(cc1)[C@@H]([NH2+][*:1])c1ccc(F)cn1
Cc1[nH]c(C(=O)N[C@@H](C)c2ccccn2)c(C)c1C(=O)OC(C)C CC(C)[*:1] Cc1[nH]c(C(=O)N[C@@H](C)c2ccccn2)c(C)c1C(=O)O[*:1]
Cc1[nH]c(C(=O)N[C@@H](C)c2ccccn2)c(C)c1C(=O)OC(C)C C[C@@H](c1ccccn1)[*:1] Cc1[nH]c(C(=O)N[*:1])c(C)c1C(=O)OC(C)C
Cc1[nH]c(C(=O)N[C@@H](C)c2ccccn2)c(C)c1C(=O)OC(C)C c1ccc(nc1)[*:1] Cc1[nH]c(C(=O)N[C@@H](C)[*:1])c(C)c1C(=O)OC(C)C
Cc1[nH]c(C(=O)N[C@@H](C)c2ccccn2)c(C)c1C(=O)OC(C)C CC(C)OC(=O)[*:1] Cc1[nH]c(C(=O)N[C@@H](C)c2ccccn2)c(C)c1[*:1]
COCC(=O)CCc1ccc(OC)c(OC)c1 COC[*:1] COc1ccc(cc1OC)CCC(=O)[*:1]
COCC(=O)CCc1ccc(OC)c(OC)c1 COCC(=O)[*:1] COc1ccc(cc1OC)CC[*:1]
C[C@@]1(C[NH2+]C[C@H](O)c2ccco2)CCCO1 c1coc(c1)[*:1] C[C@]1(CCCO1)C[NH2+]C[C@H](O)[*:1]
COc1cccc([C@H]2CN(Cc3cccc(O)c3)CCO2)c1 Oc1cccc(c1)[*:1] COc1cccc(c1)[C@H]1CN(CCO1)C[*:1]
O=C(NC1CC1)c1ccc(CN(C(=O)N[C@@H]2CCc3ccccc32)C2CC2)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(cc1)CN(C(=O)N[C@@H]1CCc2ccccc21)C1CC1
O=C(NC1CC1)c1ccc(CN(C(=O)N[C@@H]2CCc3ccccc32)C2CC2)cc1 O=C(NC1CC1)[*:1] O=C(N[C@@H]1CCc2ccccc21)N(Cc1ccc(cc1)[*:1])C1CC1
O=C(NC1CC1)c1ccc(CN(C(=O)N[C@@H]2CCc3ccccc32)C2CC2)cc1 C1CC1[*:1] O=C(NC1CC1)c1ccc(cc1)CN(C(=O)N[C@@H]1CCc2ccccc21)[*:1]
COc1cccc(-c2nnc(NC(=O)c3ccn(C)n3)o2)c1 Cn1ccc(n1)[*:1] COc1cccc(c1)-c1nnc(NC(=O)[*:1])o1
COCCn1nc([C@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O COCC[*:1] O=c1n(nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1)[*:1]
COCCn1nc([C@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] COCCn1nc([C@H]2CCC[NH2+]C2)n(c1=O)[*:1]
COCCn1nc([C@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O COC[*:1] O=c1n(C[*:1])nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1
O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc([nH]c1=O)-c1ccco1)N1CC[C@H]1[*:1]
O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CC[C@@H]1c1ccccc1 c1coc(c1)[*:1] O=C(c1ccc([nH]c1=O)[*:1])N1CC[C@@H]1c1ccccc1
O=C(NCCc1ccccn1)Nc1nccs1 c1csc(n1)[*:1] O=C(NCCc1ccccn1)N[*:1]
O=C(CSc1nc2cccnc2n1C1CCCCC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1cnc2c(c1)nc(SC[*:1])n2C1CCCCC1
O=C(CSc1nc2cccnc2n1C1CCCCC1)N1CCOCC1 C1CCC(CC1)[*:1] O=C(CSc1nc2cccnc2n1[*:1])N1CCOCC1
CC(C)n1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)n1 Clc1ccc(cc1)S[*:1] CC(C)n1ccc(n1)-c1nnc(NC(=O)CC[*:1])o1
CC(C)n1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)n1 Clc1ccc(cc1)[*:1] CC(C)n1ccc(n1)-c1nnc(NC(=O)CCS[*:1])o1
CC(C)n1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)n1 CC(C)n1ccc(n1)[*:1] O=C(CCSc1ccc(Cl)cc1)Nc1nnc(o1)[*:1]
CC(C)n1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)n1 CC(C)[*:1] O=C(CCSc1ccc(Cl)cc1)Nc1nnc(o1)-c1ccn(n1)[*:1]
ON(c1ccccc1)[C@H](Br)[C@@H](Br)c1ccccc1 c1ccc(cc1)[*:1] ON(c1ccccc1)[C@H](Br)[C@@H](Br)[*:1]
ON(c1ccccc1)[C@H](Br)[C@@H](Br)c1ccccc1 c1ccc(cc1)[*:1] ON([C@H](Br)[C@@H](Br)c1ccccc1)[*:1]
CCCSCC(=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 CCC[*:1] O=C(CS[*:1])N1CCN(CC1)C(=O)c1cc(Cl)ccc1F
CCCSCC(=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 CCCS[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1cc(Cl)ccc1F
CCCSCC(=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 CCCSC[*:1] O=C(c1cc(Cl)ccc1F)N1CCN(CC1)C(=O)[*:1]
CC(=O)C1=CC(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)=NC1 C1CCC(CC1)C[*:1] CC(=O)C1=CC(=NC1)C(=O)N1CCN(CC1)C(=O)C[*:1]
CC(=O)C1=CC(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)=NC1 CC(=O)[*:1] O=C(CCC1CCCCC1)N1CCN(CC1)C(=O)C1C=C(CN=1)[*:1]
CC(=O)C1=CC(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)=NC1 C1CCC(CC1)[*:1] CC(=O)C1=CC(=NC1)C(=O)N1CCN(CC1)C(=O)CC[*:1]
CC(=O)C1=CC(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)=NC1 C1CCC(CC1)CC[*:1] CC(=O)C1=CC(=NC1)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C O=[N+]([O-])[*:1] Cc1cccc(NC(=S)NNC(=O)c2ccc(cc2Cl)[*:1])c1C
Cc1cccc(NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C Cc1cccc(c1C)[*:1] O=C(NNC(=S)N[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
CCOc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OC[NH+](Cc1ccccn1)C3 CCOc1ccccc1[*:1] Cc1oc2c3C[NH+](COc3ccc2c(=O)c1O[*:1])Cc1ccccn1
CCOc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OC[NH+](Cc1ccccn1)C3 c1ccc(C[*:1])nc1 CCOc1ccccc1Oc1c(C)oc2c3C[NH+](COc3ccc2c1=O)[*:1]
CCOc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OC[NH+](Cc1ccccn1)C3 c1ccc(nc1)[*:1] CCOc1ccccc1Oc1c(C)oc2c3C[NH+](COc3ccc2c1=O)C[*:1]
CCOc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OC[NH+](Cc1ccccn1)C3 CCOc1ccccc1O[*:1] Cc1oc2c3C[NH+](COc3ccc2c(=O)c1[*:1])Cc1ccccn1
CCOc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OC[NH+](Cc1ccccn1)C3 CCO[*:1] Cc1oc2c3C[NH+](COc3ccc2c(=O)c1Oc1ccccc1[*:1])Cc1ccccn1
C[C@@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] C[C@@H](N[C@H](CC(F)(F)F)[*:1])c1ccccc1[N+](=O)[O-]
C[C@@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] FC(F)(F)C[*:1] C[C@@H](N[C@H](c1ccc(F)cc1)[*:1])c1ccccc1[N+](=O)[O-]
C[C@@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1[*:1]
C[C@@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] FC(F)(F)[*:1] C[C@@H](N[C@H](C[*:1])c1ccc(F)cc1)c1ccccc1[N+](=O)[O-]
N#Cc1cccc(C(=O)NNC(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)c1 N#Cc1cccc(c1)[*:1] O=C(NNC(=O)[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
O=C(NCCCc1cccc(F)c1)NOCc1ccccc1 Fc1cccc(c1)[*:1] O=C(NCCC[*:1])NOCc1ccccc1
O=C(NCCCc1cccc(F)c1)NOCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCc1cccc(F)c1)NOC[*:1]
O=C(NCCCc1cccc(F)c1)NOCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCCCc1cccc(F)c1)NO[*:1]
Cc1ccc(CC(=O)NNC(=O)c2oc3ccccc3c2C)cn1 Cc1ccc(cn1)C[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)[*:1]
Cc1ccc(CC(=O)NNC(=O)c2oc3ccccc3c2C)cn1 Cc1ccc(cn1)[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)C[*:1]
Cc1cccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n1 O=[N+]([O-])[*:1] Cc1cccc(n1)NC(=O)c1c(C)cc(C)c(c1C)[*:1]
Cc1cccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n1 Cc1cccc(n1)[*:1] Cc1cc(C)c(c(C)c1C(=O)N[*:1])[N+](=O)[O-]
C[C@@H](C(=O)N1CC[C@H](c2ccccc2)C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CC[C@H](C1)[*:1])N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2
CC(C)C(=O)N1CC[C@H](NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)C1 CC(C)[*:1] CC(C)(C)OC(=O)c1ccc(cc1)C(=O)N[C@H]1CCN(C1)C(=O)[*:1]
CC(C)C(=O)N1CC[C@H](NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)C1 CC(C)(C)OC(=O)[*:1] CC(C)C(=O)N1CC[C@@H](C1)NC(=O)c1ccc(cc1)[*:1]
CC(C)C(=O)N1CC[C@H](NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)C1 CC(C)(C)[*:1] CC(C)C(=O)N1CC[C@@H](C1)NC(=O)c1ccc(cc1)C(=O)O[*:1]
CCC[NH+](CC(=O)N(C)C)CC(=O)N(C)C1CC1 CN(C)C(=O)C[*:1] CCC[NH+](CC(=O)N(C)C1CC1)[*:1]
CCC[NH+](CC(=O)N(C)C)CC(=O)N(C)C1CC1 C1CC1[*:1] CCC[NH+](CC(=O)N(C)C)CC(=O)N(C)[*:1]
CCC[NH+](CC(=O)N(C)C)CC(=O)N(C)C1CC1 CN(C)C(=O)[*:1] CCC[NH+](CC(=O)N(C)C1CC1)C[*:1]
CCC[NH+](CC(=O)N(C)C)CC(=O)N(C)C1CC1 CCC[*:1] CN(C)C(=O)C[NH+](CC(=O)N(C)C1CC1)[*:1]
Cc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1 Cc1cccc(c1)[*:1] Cc1cccc(C)c1NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)[*:1]
Cc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1 Cc1cccc(C)c1[*:1] Cc1cccc(c1)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1nc(SCC(=O)c2ccc(Cl)cc2)cc(-c2ccccn2)n1 Clc1ccc(cc1)[*:1] Cc1nc(cc(n1)-c1ccccn1)SCC(=O)[*:1]
Cc1nc(SCC(=O)c2ccc(Cl)cc2)cc(-c2ccccn2)n1 c1ccc(nc1)[*:1] Cc1nc(cc(n1)[*:1])SCC(=O)c1ccc(Cl)cc1
O=C(NC[C@H](O)c1ccccc1Cl)c1nc(C2CC2)n2ccccc12 Clc1ccccc1[*:1] O=C(NC[C@H](O)[*:1])c1nc(C2CC2)n2ccccc12
O=C(NC[C@H](O)c1ccccc1Cl)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(NC[C@H](O)c1ccccc1Cl)c1nc(n2ccccc12)[*:1]
C/[NH+]=C(/NCCc1ccncc1)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCCc1ccncc1)N[C@@H]1C[C@H](C)N(C1)[*:1]
C/[NH+]=C(/NCCc1ccncc1)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 c1cc(ccn1)CC[*:1] C/[NH+]=C(\N[C@@H]1C[C@H](C)N(C1)c1ccccc1)N[*:1]
C/[NH+]=C(/NCCc1ccncc1)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 c1cc(ccn1)C[*:1] C/[NH+]=C(/NC[*:1])N[C@@H]1C[C@H](C)N(C1)c1ccccc1
C/[NH+]=C(/NCCc1ccncc1)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 c1cc(ccn1)[*:1] C/[NH+]=C(/NCC[*:1])N[C@@H]1C[C@H](C)N(C1)c1ccccc1
Cc1ccc(CN(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)s1 Cc1ccc(s1)[*:1] CN(C[*:1])C(=O)NC1CC[NH+](CC1)CC1CCCCC1
Cc1ccc(CN(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)s1 C1CCC(CC1)[*:1] Cc1ccc(CN(C)C(=O)NC2CC[NH+](CC2)C[*:1])s1
Cc1ccc(CN(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)s1 C1CCC(CC1)C[*:1] Cc1ccc(CN(C)C(=O)NC2CC[NH+](CC2)[*:1])s1
Cc1ccc(CN(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)s1 Cc1ccc(C[*:1])s1 CN(C(=O)NC1CC[NH+](CC1)CC1CCCCC1)[*:1]
CC(C)[C@@H](CO)[NH2+]CCCc1ccccc1 CC(C)[*:1] OC[C@@H]([NH2+]CCCc1ccccc1)[*:1]
O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1cc(ccc1Cl)[*:1]
O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl Fc1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])Nc1cc(ccc1Cl)C(F)(F)F
C[C@H]1CCCCN1C(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 C1CC1[*:1] C[C@H]1CCCCN1C(=O)CCS(=O)(=O)c1cc(Br)cc2CCN(C(=O)[*:1])c21
C[C@H]1CCCCN1C(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 C[C@H]1CCCCN1C(=O)[*:1] O=C(C1CC1)N1CCc2cc(Br)cc(c21)S(=O)(=O)CC[*:1]
COc1cccc(NC2CCN(C(=O)c3ccc(C#N)c(C)n3)CC2)c1 COc1cccc(c1)[*:1] Cc1nc(ccc1C#N)C(=O)N1CCC(CC1)N[*:1]
CCc1cccc(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)c1 NS(=O)(=O)[*:1] CCc1cccc(c1)S(=O)(=O)[N-]c1cc(F)cc(c1)[*:1]
C[C@@]1(C(=O)N2CCO[C@H](/C(N)=N/O)C2)CCCO1 N/C(=N\O)[*:1] C[C@]1(CCCO1)C(=O)N1CCO[C@H](C1)[*:1]
C[C@@]1(C(=O)N2CCO[C@H](/C(N)=N/O)C2)CCCO1 C[C@]1(CCCO1)[*:1] N/C(=N\O)[C@@H]1CN(CCO1)C(=O)[*:1]
O=C([C@@H]1CN(CC(=O)N2CCc3ccccc32)c2ccccc2O1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(CN1C[C@H](Oc2ccccc21)[*:1])N1CCc2ccccc21
C[C@H](CO)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O C[C@H](CO)[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1cccc(F)c1
CCn1cc([C@H](NC(=O)c2ccc(OC)c(OC)c2)c2ccc(F)cc2)c2cc[nH+]cc21 Fc1ccc(cc1)[*:1] CCn1cc(c2cc[nH+]cc21)[C@H](NC(=O)c1ccc(OC)c(c1)OC)[*:1]
CCn1cc([C@H](NC(=O)c2ccc(OC)c(OC)c2)c2ccc(F)cc2)c2cc[nH+]cc21 COc1ccc(cc1OC)[*:1] CCn1cc(c2cc[nH+]cc21)[C@H](NC(=O)[*:1])c1ccc(F)cc1
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 O=[N+]([O-])[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1Cl)[*:1])c1ccccc1
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1Cl)[N+](=O)[O-])[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N(CCO)CCc1ccccc1 OCC[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N(CCc1ccccc1)[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N(CCO)CCc1ccccc1 c1ccc(cc1)C[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N(CCO)C[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N(CCO)CCc1ccccc1 c1ccc(cc1)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N(CCO)CC[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)C(=O)Nc2c(C)ccn(C)c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@H](C)O[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)C(=O)Nc2c(C)ccn(C)c2=O)cc1 Cc1ccc(cc1)O[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@H](C)[*:1]
Cc1[nH]nc(O)c1CC(=O)N1CCC[C@@H](c2nnc(C[NH+](C)C)n2C)C1 Cc1[nH]nc(O)c1[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1[nH]nc(O)c1CC(=O)N1CCC[C@@H](c2nnc(C[NH+](C)C)n2C)C1 Cc1[nH]nc(O)c1C[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(NC(=O)[C@@H](C)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N[*:1]
CCCn1ncc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1C CCC[*:1] Cc1c(cnn1[*:1])C(=O)N1CCCN(CC1)S(C)(=O)=O
Cc1cnc(CCNC(=O)C(=O)Nc2ccccc2N2CCCCC2)s1 Cc1cnc(C[*:1])s1 O=C(NC[*:1])C(=O)Nc1ccccc1N1CCCCC1
Cc1cnc(CCNC(=O)C(=O)Nc2ccccc2N2CCCCC2)s1 Cc1cnc(s1)[*:1] O=C(NCC[*:1])C(=O)Nc1ccccc1N1CCCCC1
Cc1cnc(CCNC(=O)C(=O)Nc2ccccc2N2CCCCC2)s1 Cc1cnc(CC[*:1])s1 O=C(Nc1ccccc1N1CCCCC1)C(=O)N[*:1]
Cc1cnc(CCNC(=O)C(=O)Nc2ccccc2N2CCCCC2)s1 C1CCN(CC1)[*:1] Cc1cnc(CCNC(=O)C(=O)Nc2ccccc2[*:1])s1
Cc1ccc(CCC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)o1 Cc1ccc(o1)[*:1] Cc1occc1C(=O)NC1CCN(CC1)C(=O)CC[*:1]
Cc1ccc(CCC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)o1 Cc1occc1[*:1] Cc1ccc(CCC(=O)N2CCC(CC2)NC(=O)[*:1])o1
Cc1ccc(CCC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)o1 Cc1ccc(CC[*:1])o1 Cc1occc1C(=O)NC1CCN(CC1)C(=O)[*:1]
Cc1ccc(CCC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)o1 Cc1ccc(C[*:1])o1 Cc1occc1C(=O)NC1CCN(CC1)C(=O)C[*:1]
C[NH+](C)[C@@H](CNc1cc(-c2ccccc2F)nc2ccnn12)c1ccccn1 Fc1ccccc1[*:1] C[NH+](C)[C@@H](CNc1cc(nc2ccnn12)[*:1])c1ccccn1
C[NH+](C)[C@@H](CNc1cc(-c2ccccc2F)nc2ccnn12)c1ccccn1 c1ccc(nc1)[*:1] C[NH+](C)[C@@H](CNc1cc(nc2ccnn12)-c1ccccc1F)[*:1]
Cc1ccccc1NC(=O)CCN(CC(F)(F)F)C1CCCC1 Cc1ccccc1[*:1] O=C(CCN(CC(F)(F)F)C1CCCC1)N[*:1]
Cc1ccccc1NC(=O)CCN(CC(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] Cc1ccccc1NC(=O)CCN(CC(F)(F)F)[*:1]
Cc1ccccc1NC(=O)CCN(CC(F)(F)F)C1CCCC1 FC(F)(F)[*:1] Cc1ccccc1NC(=O)CCN(C[*:1])C1CCCC1
Cc1ccccc1NC(=O)CCN(CC(F)(F)F)C1CCCC1 FC(F)(F)C[*:1] Cc1ccccc1NC(=O)CCN(C1CCCC1)[*:1]
CC[C@H](CCO)C[NH2+][C@@H]1CCSc2ccccc21 CC[C@H](CCO)[*:1] c1ccc2c(c1)SCC[C@H]2[NH2+]C[*:1]
CC[C@H](CCO)C[NH2+][C@@H]1CCSc2ccccc21 OCC[*:1] CC[C@H](C[NH2+][C@@H]1CCSc2ccccc21)[*:1]
CC1CCC2(CC1)NC(=O)N(CC(=O)Oc1ccc(Br)cc1)C2=O Brc1ccc(cc1)[*:1] CC1CCC2(CC1)NC(=O)N(CC(=O)O[*:1])C2=O
COc1ccccc1OCC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 COc1ccccc1[*:1] O=C(CO[*:1])N1CCC[C@@H]1c1nnc2CCCCCn21
COc1ccccc1OCC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 COc1ccccc1O[*:1] O=C(C[*:1])N1CCC[C@@H]1c1nnc2CCCCCn21
NC(=O)c1ccccc1O[C@H](NC(=O)c1cccc(Cl)c1)C(Cl)(Cl)Cl NC(=O)[*:1] O=C(N[C@@H](Oc1ccccc1[*:1])C(Cl)(Cl)Cl)c1cccc(Cl)c1
NC(=O)c1ccccc1O[C@H](NC(=O)c1cccc(Cl)c1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] NC(=O)c1ccccc1O[C@H](NC(=O)c1cccc(Cl)c1)[*:1]
NC(=O)c1ccccc1O[C@H](NC(=O)c1cccc(Cl)c1)C(Cl)(Cl)Cl Clc1cccc(c1)[*:1] NC(=O)c1ccccc1O[C@H](NC(=O)[*:1])C(Cl)(Cl)Cl
C#Cc1cccc(N(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)C(C)C)c1 C#Cc1cccc(c1)[*:1] CC(C)N(C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)[*:1]
C#Cc1cccc(N(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)C(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)[*:1]
CC(C)c1nnc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)s1 NC(=O)[*:1] CC(C)c1nnc(NC[C@H](Cc2ccc(F)cc2)[*:1])s1
CC(C)c1nnc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)s1 CC(C)[*:1] NC(=O)[C@H](CNc1nnc(s1)[*:1])Cc1ccc(F)cc1
CC(C)c1nnc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)s1 Fc1ccc(cc1)[*:1] CC(C)c1nnc(NC[C@H](C[*:1])C(N)=O)s1
COc1cccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 COc1cccc(c1)[*:1] O=C(NCc1ccc2OCOc2c1)C(=O)N[*:1]
CCCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(OCCC)c1 CCC[*:1] CCCOc1cccc(c1)[C@]1(C)Nc2ccccc2C(=O)N1C[*:1]
CCCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(OCCC)c1 CCCC[*:1] CCCOc1cccc(c1)[C@]1(C)Nc2ccccc2C(=O)N1[*:1]
CCCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(OCCC)c1 CCC[*:1] CCCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(c1)O[*:1]
CCCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(OCCC)c1 CCCO[*:1] CCCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(c1)[*:1]
CC1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 C1CC1[*:1] CC1CCN(CC1)C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc([C@H](C)NC(=O)c2csc(C#CCN)c2)s1 Cc1ccc(s1)[*:1] C[C@H](NC(=O)c1csc(C#CCN)c1)[*:1]
Cc1ccc([C@H](C)NC(=O)c2csc(C#CCN)c2)s1 NCC#C[*:1] Cc1ccc(s1)[C@H](C)NC(=O)c1csc(c1)[*:1]
Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](C[*:1])c1ccc(F)cc1
Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](c1ccc(F)cc1)[*:1]
Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](CC(F)(F)F)[*:1]
Cc1ccc(Cn2cc(NC(=O)Nc3ccccc3C(F)(F)F)cn2)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1cnn(c1)[*:1])Nc1ccccc1C(F)(F)F
Cc1ccc(Cn2cc(NC(=O)Nc3ccccc3C(F)(F)F)cn2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cnn(c1)C[*:1])Nc1ccccc1C(F)(F)F
Cc1ccc(Cn2cc(NC(=O)Nc3ccccc3C(F)(F)F)cn2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)Cn1cc(cn1)NC(=O)Nc1ccccc1[*:1]
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N1CCC[C@@H]1c1cccn1C CC1CCN(CC1)C(=O)[*:1] Cc1cc(ccc1NC(=O)N1CCC[C@@H]1c1cccn1C)[*:1]
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N1CCC[C@@H]1c1cccn1C Cn1cccc1[*:1] Cc1cc(ccc1NC(=O)N1CCC[C@H]1[*:1])C(=O)N1CCC(C)CC1
COc1cc(/C=C/C(=O)Nc2cnccc2C)ccc1OC(F)F FC(F)[*:1] COc1cc(/C=C/C(=O)Nc2cnccc2C)ccc1O[*:1]
COc1cc(/C=C/C(=O)Nc2cnccc2C)ccc1OC(F)F FC(F)O[*:1] COc1cc(/C=C/C(=O)Nc2cnccc2C)ccc1[*:1]
COc1cc(/C=C/C(=O)Nc2cnccc2C)ccc1OC(F)F Cc1ccncc1[*:1] COc1cc(/C=C/C(=O)N[*:1])ccc1OC(F)F
Cc1cccc(C)c1C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1cccc(C)c1C(=O)N(C)c1ccc(cc1)[*:1]
COCCNc1nc(-c2ccccc2)no1 COCC[*:1] c1ccc(cc1)-c1noc(n1)N[*:1]
COCCNc1nc(-c2ccccc2)no1 COCCN[*:1] c1ccc(cc1)-c1noc(n1)[*:1]
COCCNc1nc(-c2ccccc2)no1 COC[*:1] c1ccc(cc1)-c1noc(n1)NC[*:1]
C[C@H]1CCC[C@@H](OC(=O)Cc2cccc(OCC#N)c2)C1 N#CC[*:1] C[C@H]1CCC[C@H](C1)OC(=O)Cc1cccc(c1)O[*:1]
C[C@H]1CCC[C@@H](OC(=O)Cc2cccc(OCC#N)c2)C1 N#CCO[*:1] C[C@H]1CCC[C@H](C1)OC(=O)Cc1cccc(c1)[*:1]
O=C(CN1CCCOC1=O)NCc1nccc2ccccc12 O=C1OCCCN1[*:1] O=C(C[*:1])NCc1nccc2ccccc12
C[C@H](Sc1ccccn1)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)N[C@@H]1CCc2cc(Cl)ccc21
C[C@H](Sc1ccccn1)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 c1ccc(nc1)S[*:1] C[C@H](C(=O)N[C@@H]1CCc2cc(Cl)ccc21)[*:1]
C#CCN(C(=O)N[C@H](c1nccs1)C1CC1)[C@H]1CCS(=O)(=O)C1 c1csc(n1)[*:1] C#CCN(C(=O)N[C@H](C1CC1)[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)N[C@H](c1nccs1)C1CC1)[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] C#CCN(C(=O)N[C@H](c1nccs1)[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)N[C@H](c1nccs1)C1CC1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)N[C@H](c1nccs1)C1CC1)[*:1]
C#CCN(C(=O)N[C@H](c1nccs1)C1CC1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(N[C@H](c1nccs1)C1CC1)N([C@H]1CCS(=O)(=O)C1)[*:1]
COC(=O)c1ccccc1N[C@H]1SC(=O)N(c2ccc(C)c(C)c2)C1=O Cc1ccc(cc1C)[*:1] COC(=O)c1ccccc1N[C@H]1SC(=O)N(C1=O)[*:1]
COC(=O)c1ccccc1N[C@H]1SC(=O)N(c2ccc(C)c(C)c2)C1=O COC(=O)[*:1] Cc1ccc(cc1C)N1C(=O)S[C@H](Nc2ccccc2[*:1])C1=O
CO[C@@H]1CCC[C@@H](OC(=O)c2ccco2)C1 c1coc(c1)[*:1] CO[C@@H]1CCC[C@H](C1)OC(=O)[*:1]
COc1ccccc1C1=N/C(=C/c2ccc(Cl)o2)C(=O)O1 Clc1ccc(o1)[*:1] COc1ccccc1C1=NC(=C[*:1])C(=O)O1
CC(C)(C)C(=O)Nc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])C1CCN(CC1)C(=O)C1CC1
CC(C)(C)C(=O)Nc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 C1CC1[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)(C)C(=O)Nc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 CC(C)(C)C(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)C(=O)C1CC1
C#CCN1CCN([C@@H](C)C(=O)Nc2c(C)cccc2CC)CC1 C#CC[*:1] CCc1cccc(C)c1NC(=O)[C@H](C)N1CCN(CC1)[*:1]
Cc1cc(S(=O)(=O)/N=C([O-])/C=C/c2ccnc(Cl)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=S(=O)(/N=C([O-])/C=C/c1ccnc(Cl)c1)[*:1]
Cc1cc(S(=O)(=O)/N=C([O-])/C=C/c2ccnc(Cl)c2)c(C)s1 Clc1cc(ccn1)[*:1] Cc1cc(c(C)s1)S(=O)(=O)/N=C(\[O-])C=C[*:1]
CC(C)(C)OC(=O)Nc1ncc(CO)o1 CC(C)(C)[*:1] O=C(Nc1ncc(CO)o1)O[*:1]
COc1ccc(OCCN(C)C(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)OC[*:1] CN(C[*:1])C(=O)c1c[nH]nc1-c1ccc2OCCOc2c1
COc1ccc(OCCN(C)C(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)c1c[nH]nc1-c1ccc2OCCOc2c1
COc1ccc(OCCN(C)C(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 c1cc2OCCOc2cc1[*:1] COc1ccc(cc1)OCCN(C)C(=O)c1c[nH]nc1[*:1]
COc1ccc(OCCN(C)C(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)c1c[nH]nc1-c1ccc2OCCOc2c1
C#CCN(C(=O)Nc1cccc(-c2ncon2)c1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(Nc1cccc(c1)-c1ncon1)N([C@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(C(=O)Nc1cccc(-c2ncon2)c1)[C@H]1CCS(=O)(=O)C1 c1nc(no1)[*:1] C#CCN(C(=O)Nc1cccc(c1)[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)Nc1cccc(-c2ncon2)c1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)Nc1cccc(c1)-c1ncon1)[*:1]
C1C[C@H]([NH2+]C(C2CC2)C2CC2)CN1 C1CC1[*:1] C1C[C@@H](CN1)[NH2+]C(C1CC1)[*:1]
Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N[*:1])C1
O=C(Nc1nccs1)c1sc2ccccc2c1[O-] c1csc(n1)[*:1] O=C(N[*:1])c1sc2ccccc2c1[O-]
COc1ccc(N/C(=N/C(=O)c2ccc(Cl)cc2)NC[C@@H]2CCCO2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)N/C(=N/C(=O)[*:1])NC[C@@H]1CCCO1
COc1ccc(N/C(=N/C(=O)c2ccc(Cl)cc2)NC[C@@H]2CCCO2)cc1 COc1ccc(cc1)[*:1] O=C(/N=C(\NC[C@@H]1CCCO1)N[*:1])c1ccc(Cl)cc1
Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N(C)C1CCC(C)CC1 CC1CCC(CC1)[*:1] Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N(C)[*:1]
CC[C@H]1CCCN(C(=O)CCCNC(=O)c2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CC[C@H]1CCCN(C1)C(=O)CCCNC(=O)[*:1]
CCSC[C@@H](Cc1nc2ccccc2n1CC)[NH2+]C CCS[*:1] CCn1c(C[C@H](C[*:1])[NH2+]C)nc2ccccc21
CCSC[C@@H](Cc1nc2ccccc2n1CC)[NH2+]C CCSC[*:1] CCn1c(C[C@@H]([NH2+]C)[*:1])nc2ccccc21
NC(=O)c1csc(CNc2ccc(CC[NH+]3CCCCC3)cc2)c1 NC(=O)c1csc(c1)[*:1] c1cc(ccc1CC[NH+]1CCCCC1)NC[*:1]
NC(=O)c1csc(CNc2ccc(CC[NH+]3CCCCC3)cc2)c1 NC(=O)[*:1] c1cc(ccc1CC[NH+]1CCCCC1)NCc1cc(cs1)[*:1]
C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C(C)=O)cc1 C=CC[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1F)[*:1]
C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C(C)=O)cc1 CC(=O)[*:1] C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(cc1)[*:1]
C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C(C)=O)cc1 Fc1ccccc1[*:1] C=CCN(C[*:1])S(=O)(=O)c1ccc(cc1)C(C)=O
C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C(C)=O)cc1 Fc1ccccc1C[*:1] C=CCN(S(=O)(=O)c1ccc(cc1)C(C)=O)[*:1]
CC(C)(C)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 CC(C)(C)[*:1] N#Cc1cccc(c1)OC1CC[NH+](CC1)C[*:1]
CC(C)(C)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 CC(C)(C)C[*:1] N#Cc1cccc(c1)OC1CC[NH+](CC1)[*:1]
O=C(CCCOc1ccccc1)N1CCc2ccccc21 c1ccc(cc1)O[*:1] O=C(CCC[*:1])N1CCc2ccccc21
O=C(CCCOc1ccccc1)N1CCc2ccccc21 c1ccc(cc1)[*:1] O=C(CCCO[*:1])N1CCc2ccccc21
CC(C)N(C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C CC(C)[*:1] CC(C)N(C(=O)c1ccc(cc1)CN1C[C@@H](C)O[C@H](C)C1)[*:1]
Cc1ccc(Cn2ccc(NC(=O)C3=CC(c4ccco4)=NS(=O)(=O)N3C)n2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)Cn1ccc(n1)NC(=O)C1=CC(=NS(=O)(=O)N1C)[*:1]
Cc1ccc(Cn2ccc(NC(=O)C3=CC(c4ccco4)=NS(=O)(=O)N3C)n2)cc1 Cc1ccc(cc1)C[*:1] CN1C(=CC(=NS1(=O)=O)c1ccco1)C(=O)Nc1ccn(n1)[*:1]
Cc1ccc(Cn2ccc(NC(=O)C3=CC(c4ccco4)=NS(=O)(=O)N3C)n2)cc1 Cc1ccc(cc1)[*:1] CN1C(=CC(=NS1(=O)=O)c1ccco1)C(=O)Nc1ccn(C[*:1])n1
CCC(C)(C)C1CCC(=NNC(=O)[C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC(C)(C)C1CCC(CC1)=NNC(=O)[C@H](O)[*:1]
CCC(C)(C)C1CCC(=NNC(=O)[C@H](O)c2ccccc2)CC1 CCC(C)(C)[*:1] O=C(NN=C1CCC(CC1)[*:1])[C@H](O)c1ccccc1
COc1cccc([C@H](CNC(=O)Nc2nccs2)[NH+]2CCCC2)c1 c1csc(n1)[*:1] COc1cccc(c1)[C@H](CNC(=O)N[*:1])[NH+]1CCCC1
COc1cccc([C@H](CNC(=O)Nc2nccs2)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])Nc1nccs1
CCc1ccc([C@@H]2NC(=O)c3oc4cc(C)c(Cl)cc4c(=O)c32)cc1 CCc1ccc(cc1)[*:1] Cc1cc2oc3C(=O)N[C@H](c3c(=O)c2cc1Cl)[*:1]
C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2cccs2)cc1 O=C(N[*:1])c1cccs1 C/C(=N\NC(=O)c1ccc(C)c(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] C/C(=N\NC(=O)c1ccc(C)c(c1)[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2cccs2)cc1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)c1ccc(C)c(c1)[*:1])c1ccc(cc1)NC(=O)c1cccs1
C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2cccs2)cc1 Cc1ccc(cc1[N+](=O)[O-])[*:1] C/C(=N\NC(=O)[*:1])c1ccc(cc1)NC(=O)c1cccs1
CCc1cccc(NC(=O)c2c(N3CCCC3=O)c3cc(OC)ccc3n2C)c1 O=C1CCCN1[*:1] CCc1cccc(c1)NC(=O)c1c(c2cc(ccc2n1C)OC)[*:1]
CCc1cccc(NC(=O)c2c(N3CCCC3=O)c3cc(OC)ccc3n2C)c1 CCc1cccc(c1)[*:1] COc1ccc2c(c1)c(c(C(=O)N[*:1])n2C)N1CCCC1=O
CCOC(=O)CC[C@H](C)NC(=O)c1n[nH]c2c1CCC2 CCOC(=O)C[*:1] C[C@@H](C[*:1])NC(=O)c1n[nH]c2CCCc12
CCOC(=O)CC[C@H](C)NC(=O)c1n[nH]c2c1CCC2 CCOC(=O)[*:1] C[C@@H](CC[*:1])NC(=O)c1n[nH]c2CCCc12
CSc1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 CN(S(C)(=O)=O)[*:1] CSc1cccc(c1)NC(=O)c1ccccc1[*:1]
O=C(Nc1ccc(-n2cccn2)nc1)[C@H]1CC(=O)N(c2ccccc2)C1 c1cnn(c1)[*:1] O=C(Nc1ccc(nc1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(Nc1ccc(-n2cccn2)nc1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(nc1)-n1cccn1)[C@H]1CC(=O)N(C1)[*:1]
CC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)CO[*:1] CC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1[*:1]
CC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)[*:1] CC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1OC[*:1]
CC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)C[*:1] CC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1O[*:1]
C[C@H](C(=O)Nc1ccccc1)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] C[C@H](C(=O)Nc1ccccc1)N1CCN(CC1)[*:1]
C[C@H](C(=O)Nc1ccccc1)N1CCN(c2ccccc2O)CC1 c1ccc(cc1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)c1ccccc1O
CS(=O)(=O)Cc1cccc(NC(=O)c2cc(Br)c[nH]2)c1 Brc1c[nH]c(c1)[*:1] CS(=O)(=O)Cc1cccc(c1)NC(=O)[*:1]
CS(=O)(=O)Cc1cccc(NC(=O)c2cc(Br)c[nH]2)c1 CS(=O)(=O)[*:1] O=C(Nc1cccc(c1)C[*:1])c1cc(Br)c[nH]1
CS(=O)(=O)Cc1cccc(NC(=O)c2cc(Br)c[nH]2)c1 CS(=O)(=O)C[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(Br)c[nH]1
CC(C)(C)[S@@](=O)CCNC(=O)N1CCc2ccccc21 CC(C)(C)[*:1] O=C(NCC[S@](=O)[*:1])N1CCc2ccccc21
CS[C@H](C)c1cccc(NC(=O)C[C@H](O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CS[C@H](C)c1cccc(c1)NC(=O)C[C@H](O)[*:1]
CS[C@H](C)c1cccc(NC(=O)C[C@H](O)c2ccc(Cl)cc2)c1 CS[C@H](C)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1cccc(c1)[*:1]
CCO[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 CCO[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](C1)[*:1]
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 Fc1ccccc1[*:1] O=C(C[*:1])NNC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32
O=C(Cc1ccccc1F)NNC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 Fc1ccccc1C[*:1] O=C(NNC(=O)[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)COc1ccc(F)cc1F Clc1ccc(c(Cl)c1)[*:1] C[C@@H](N(C)C(=O)COc1ccc(F)cc1F)[*:1]
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)COc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CO[*:1]
CCOc1ccc(NC(=O)c2cccc(NN)n2)cn1 CCO[*:1] NNc1cccc(n1)C(=O)Nc1ccc(nc1)[*:1]
Cc1c(Cl)cc(S(=O)(=O)NNC(=O)CC2CCCCC2)cc1[N+](=O)[O-] C1CCC(CC1)C[*:1] Cc1c(Cl)cc(cc1[N+](=O)[O-])S(=O)(=O)NNC(=O)[*:1]
Cc1c(Cl)cc(S(=O)(=O)NNC(=O)CC2CCCCC2)cc1[N+](=O)[O-] C1CCC(CC1)[*:1] Cc1c(Cl)cc(cc1[N+](=O)[O-])S(=O)(=O)NNC(=O)C[*:1]
Cc1c(Cl)cc(S(=O)(=O)NNC(=O)CC2CCCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(Cl)cc(cc1[*:1])S(=O)(=O)NNC(=O)CC1CCCCC1
COc1ccc(CCC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)CCC(=O)N1CCCN(CC1)C(=O)C[*:1]
COc1ccc(CCC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(CC1CCCC1)N1CCCN(CC1)C(=O)C[*:1]
COc1ccc(CCC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])N1CCCN(CC1)C(=O)CC1CCCC1
COc1ccc(CCC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)cc1 C1CCC(C1)C[*:1] COc1ccc(cc1)CCC(=O)N1CCCN(CC1)C(=O)[*:1]
COc1cccc(OC[C@H]2CCCN(C(=O)c3ncoc3C3CC3)C2)c1 C1CC1[*:1] COc1cccc(c1)OC[C@H]1CCCN(C1)C(=O)c1ncoc1[*:1]
COc1cccc(OC[C@H]2CCCN(C(=O)c3ncoc3C3CC3)C2)c1 c1nc(c(o1)C1CC1)[*:1] COc1cccc(c1)OC[C@H]1CCCN(C1)C(=O)[*:1]
COc1cccc(OC[C@H]2CCCN(C(=O)c3ncoc3C3CC3)C2)c1 COc1cccc(c1)[*:1] O=C(c1ncoc1C1CC1)N1CCC[C@H](CO[*:1])C1
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(CC1)c1ccccc1)N[*:1]
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(CC2)[*:1])c(C)c1
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3)CC2)c(C)c1 Cc1ccc(NC(=O)[*:1])c(C)c1 O=C1NCCN(C(=O)C[NH+]2CCN(CC2)c2ccccc2)[C@H]1C[*:1]
CCc1nn(C)cc1CNC(=O)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 CCc1nn(C)cc1[*:1] O=C(NC[*:1])N1CC[NH+](CC1)[C@H]1C[C@H]2CC[C@@H]1C2
COCCn1nc(C)c(NC(=O)CSc2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] COCCn1nc(C)c(NC(=O)CS[*:1])c1C
COCCn1nc(C)c(NC(=O)CSc2ccc(F)cc2)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)CSc1ccc(F)cc1)[*:1]
COCCn1nc(C)c(NC(=O)CSc2ccc(F)cc2)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)CSc1ccc(F)cc1
O=C(NNc1ccccc1)Nc1cnn(CC(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(NN[*:1])Nc1cnn(c1)CC(F)(F)F
O=C(NNc1ccccc1)Nc1cnn(CC(F)(F)F)c1 FC(F)(F)[*:1] O=C(NNc1ccccc1)Nc1cnn(c1)C[*:1]
O=C(NNc1ccccc1)Nc1cnn(CC(F)(F)F)c1 FC(F)(F)C[*:1] O=C(NNc1ccccc1)Nc1cnn(c1)[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC1CCN(S(C)(=O)=O)CC1 Cc1n[nH]c(C)c1[*:1] CS(=O)(=O)N1CCC(CC1)NC(=O)N1CCC[C@@H]1[*:1]
O=C(NC(C1CC1)C1CC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC(C1CC1)C1CC1)[C@H]1CCCCN1S(=O)(=O)[*:1]
O=C(NC(C1CC1)C1CC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 C1CC1C(C1CC1)[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccccc1
O=C(NC(C1CC1)C1CC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 C1CC1[*:1] O=C(NC(C1CC1)[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccccc1
CC(C)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CC(C)c1ccc(cc1)[*:1]
CC(C)c1ccc(S(N)(=O)=O)cc1 CC(C)[*:1] NS(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]C1(CNC(=O)c2ccc(F)nc2)CCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]C1(CCCC1)CNC(=O)c1ccc(F)nc1)[*:1]
C[C@@H]([NH2+]C1(CNC(=O)c2ccc(F)nc2)CCCC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NCC1(CCCC1)[NH2+][*:1])c1ccc(F)nc1
C[C@@H]([NH2+]C1(CNC(=O)c2ccc(F)nc2)CCCC1)c1ccccc1 Fc1ccc(cn1)[*:1] C[C@@H]([NH2+]C1(CCCC1)CNC(=O)[*:1])c1ccccc1
COc1cc(CC(=O)[O-])cc(Br)c1O O=C([O-])C[*:1] COc1cc(cc(Br)c1O)[*:1]
COc1cc(CC(=O)[O-])cc(Br)c1O O=C([O-])[*:1] COc1cc(cc(Br)c1O)C[*:1]
CC(=O)C[C@@H]1CCCCCN1C(=O)c1ccc(Cl)c(Cl)c1 CC(=O)[*:1] O=C(c1ccc(Cl)c(Cl)c1)N1CCCCC[C@H]1C[*:1]
CC(=O)C[C@@H]1CCCCCN1C(=O)c1ccc(Cl)c(Cl)c1 CC(=O)C[*:1] O=C(c1ccc(Cl)c(Cl)c1)N1CCCCC[C@H]1[*:1]
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 CC(C)[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 CC(C)C[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 CC(C)CC[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 CC(C)CCNC(=O)[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)N1CCC(CC1)[*:1]
CCCn1c(C)cc(C(=O)Cn2nc(C(F)(F)F)c3cnccc32)c1C CCC[*:1] Cc1cc(C(=O)Cn2nc(c3cnccc32)C(F)(F)F)c(C)n1[*:1]
CCCn1c(C)cc(C(=O)Cn2nc(C(F)(F)F)c3cnccc32)c1C FC(F)(F)[*:1] CCCn1c(C)cc(C(=O)Cn2nc(c3cnccc32)[*:1])c1C
CCCOc1cc(N(C)CCc2cccs2)c(N)cc1F CCC[*:1] CN(CCc1cccs1)c1cc(O[*:1])c(F)cc1N
CCCOc1cc(N(C)CCc2cccs2)c(N)cc1F c1csc(c1)CC[*:1] CCCOc1cc(c(N)cc1F)N(C)[*:1]
CCCOc1cc(N(C)CCc2cccs2)c(N)cc1F CCCO[*:1] CN(CCc1cccs1)c1cc(c(F)cc1N)[*:1]
CCCOc1cc(N(C)CCc2cccs2)c(N)cc1F c1csc(c1)[*:1] CCCOc1cc(c(N)cc1F)N(C)CC[*:1]
CCCOc1cc(N(C)CCc2cccs2)c(N)cc1F c1csc(c1)C[*:1] CCCOc1cc(c(N)cc1F)N(C)C[*:1]
COC(=O)c1ccc(/C=C/C(=O)NCc2ccnc(OC)c2)cc1 COC(=O)[*:1] COc1cc(ccn1)CNC(=O)/C=C/c1ccc(cc1)[*:1]
COC(=O)c1ccc(/C=C/C(=O)NCc2ccnc(OC)c2)cc1 COc1cc(ccn1)[*:1] COC(=O)c1ccc(/C=C/C(=O)NC[*:1])cc1
CC[NH+](CC)C[C@@H]1CCN(Cc2nnc(-c3ccccc3C)o2)C1 Cc1ccccc1[*:1] CC[NH+](CC)C[C@@H]1CCN(Cc2nnc(o2)[*:1])C1
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1c[nH]ccc1=O O=c1cc[nH]cc1[*:1] Cc1nc(sc1C(=O)N[*:1])-c1ccc(cc1)C(F)(F)F
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1c[nH]ccc1=O FC(F)(F)[*:1] Cc1nc(sc1C(=O)Nc1c[nH]ccc1=O)-c1ccc(cc1)[*:1]
COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(=O)[nH]c3ccccc23)cc1 COc1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)[*:1]
CCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3F)cc2)CC1 CCNC(=O)[*:1] O=C(Nc1ccc(cc1)NC(=O)N1CCC(CC1)[*:1])Nc1ccccc1F
CCNC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3F)cc2)CC1 Fc1ccccc1[*:1] CCNC(=O)C1CCN(CC1)C(=O)Nc1ccc(cc1)NC(=O)N[*:1]
COCc1cc(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)ncn1 COC[*:1] O=C(Nc1cc(ncn1)[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
COCc1cc(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)ncn1 Clc1ccc(cc1)[*:1] COCc1cc(ncn1)NC(=O)N1CCO[C@@H](C1)[*:1]
CN(Cc1nc(Cc2ccccc2Cl)no1)[C@@H]1CS(=O)(=O)C[C@H]1O Clc1ccccc1[*:1] CN(Cc1nc(C[*:1])no1)[C@@H]1CS(=O)(=O)C[C@H]1O
CN(Cc1nc(Cc2ccccc2Cl)no1)[C@@H]1CS(=O)(=O)C[C@H]1O Clc1ccccc1C[*:1] CN(Cc1nc(no1)[*:1])[C@@H]1CS(=O)(=O)C[C@H]1O
C[C@H]1CCC[C@@H](NC(=S)NNC(=O)C2CCCC2)[C@@H]1C C1CCC(C1)[*:1] C[C@H]1CCC[C@@H](NC(=S)NNC(=O)[*:1])[C@@H]1C
CCC[NH2+]C[C@@H]1CCCO[C@H]1c1ccc2ncccc2c1 CCC[*:1] c1cnc2ccc(cc2c1)[C@@H]1OCCC[C@H]1C[NH2+][*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)CO[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1 Brc1ccc(cc1)O[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1 CN(C)S(=O)(=O)[*:1] O=C(COc1ccc(Br)cc1)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)/C=C/c2cc(C)n(C3CC3)c2C)c1 CC(=O)N[*:1] Cc1cc(/C=C/C(=O)Nc2cccc(c2)[*:1])c(C)n1C1CC1
CC(=O)Nc1cccc(NC(=O)/C=C/c2cc(C)n(C3CC3)c2C)c1 C1CC1[*:1] CC(=O)Nc1cccc(c1)NC(=O)/C=C/c1cc(C)n(c1C)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H](C)SC2=N1 CC(C)[*:1] CC1N=C2S[C@@H](C)C(=O)N2[C@H](C=1C(=O)O[*:1])c1ccc(Cl)c(Cl)c1
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H](C)SC2=N1 Clc1ccc(cc1Cl)[*:1] CC1N=C2S[C@@H](C)C(=O)N2[C@@H](C=1C(=O)OC(C)C)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H](C)SC2=N1 CC(C)OC(=O)[*:1] CC1N=C2S[C@@H](C)C(=O)N2[C@H](C=1[*:1])c1ccc(Cl)c(Cl)c1
O=C(CC[C@@H]1CCCC[NH2+]1)NC1COC1 C1OCC1[*:1] O=C(CC[C@@H]1CCCC[NH2+]1)N[*:1]
CC(C)(C)C(=O)NCCCC(=O)NC(C)(C)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] CC(C)(C)C(=O)NCCCC(=O)NC(C)(C)[*:1]
CC(C)(C)C(=O)NCCCC(=O)NC(C)(C)c1ccc(F)cc1Cl CC(C)(C)C(=O)N[*:1] CC(C)(NC(=O)CCC[*:1])c1ccc(F)cc1Cl
CC(C)(C)C(=O)NCCCC(=O)NC(C)(C)c1ccc(F)cc1Cl CC(C)(C)C(=O)NC[*:1] CC(C)(NC(=O)CC[*:1])c1ccc(F)cc1Cl
CC(C)(C)C(=O)NCCCC(=O)NC(C)(C)c1ccc(F)cc1Cl CC(C)(C)[*:1] CC(C)(NC(=O)CCCNC(=O)[*:1])c1ccc(F)cc1Cl
CC(=O)N[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)[*:1]
CC(=O)N[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)C1CCCC1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](C(=O)NCCN1C(=O)SC(=C[*:1])C1=O)C1CCCC1
CC(=O)N[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)C1CCCC1 CC(=O)N[*:1] O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)[C@@H](C1CCCC1)[*:1]
CC(=O)Nc1cccc(C(=O)NCc2ccccc2F)c1 CC(=O)N[*:1] O=C(NCc1ccccc1F)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)NCc2ccccc2F)c1 Fc1ccccc1[*:1] CC(=O)Nc1cccc(c1)C(=O)NC[*:1]
CCc1ccc(N2CCN(C(=O)c3cccs3)[C@@H](C)C2=O)cc1 c1csc(c1)[*:1] CCc1ccc(cc1)N1CCN(C(=O)[*:1])[C@@H](C)C1=O
N#C/C(=C\C=C\c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 c1ccc(cc1)[*:1] N#C/C(=C\C=C[*:1])S(=O)(=O)c1ccc(Br)cc1
N#C/C(=C\C=C\c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] N#C/C(=C\C=C\c1ccccc1)S(=O)(=O)[*:1]
Cc1noc(C)c1CCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 Cc1noc(C)c1[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)n1cc[nH+]c1
O=C([O-])c1cncc(N[C@@H]2C[C@@H]2c2ccccc2)n1 c1ccc(cc1)[*:1] O=C([O-])c1cncc(n1)N[C@@H]1C[C@H]1[*:1]
O=C([O-])c1cncc(N[C@@H]2C[C@@H]2c2ccccc2)n1 O=C([O-])[*:1] c1ccc(cc1)[C@H]1C[C@H]1Nc1cncc(n1)[*:1]
COc1ccc2c(C(=O)NCC(C)C)cc(=O)oc2c1 CC(C)C[*:1] COc1ccc2c(cc(=O)oc2c1)C(=O)N[*:1]
COc1ccc2c(C(=O)NCC(C)C)cc(=O)oc2c1 CC(C)[*:1] COc1ccc2c(cc(=O)oc2c1)C(=O)NC[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3[C@@H](C)CCC[C@H]3C)C2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(-c2nc(CC(=O)NCc3ccc(C)cc3)cs2)cc1OC Cc1ccc(cc1)C[*:1] COc1ccc(cc1OC)-c1nc(cs1)CC(=O)N[*:1]
COc1ccc(-c2nc(CC(=O)NCc3ccc(C)cc3)cs2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nc(cs1)CC(=O)NC[*:1]
C[C@H]1C[C@@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1[*:1])NC(=O)c1ccc([nH]c1=O)-c1ccco1
C[C@H]1C[C@@H](NC(=O)c2ccc(-c3ccco3)[nH]c2=O)CN1c1ccccc1 c1coc(c1)[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)c1ccc([nH]c1=O)[*:1]
Cc1ccc([O-])c(C[NH+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)[nH+]1 Clc1cccc(c1)[*:1] Cc1ccc([O-])c(C[NH+]2CCCN(CC2)C(=O)N[*:1])[nH+]1
CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccn(CC)n3)sc2c1 CCO[*:1] CCn1ccc(n1)C(=O)N(Cc1cccnc1)c1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccn(CC)n3)sc2c1 CCn1ccc(n1)[*:1] CCOc1ccc2nc(sc2c1)N(Cc1cccnc1)C(=O)[*:1]
CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccn(CC)n3)sc2c1 c1cncc(c1)C[*:1] CCOc1ccc2nc(sc2c1)N(C(=O)c1ccn(CC)n1)[*:1]
CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccn(CC)n3)sc2c1 c1cncc(c1)[*:1] CCOc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1ccn(CC)n1
CC1CCC(C)(NC(=O)Cc2cccc(OCc3cccnc3)c2)CC1 c1cncc(c1)CO[*:1] CC1CCC(C)(CC1)NC(=O)Cc1cccc(c1)[*:1]
CC1CCC(C)(NC(=O)Cc2cccc(OCc3cccnc3)c2)CC1 c1cncc(c1)C[*:1] CC1CCC(C)(CC1)NC(=O)Cc1cccc(c1)O[*:1]
CC1CCC(C)(NC(=O)Cc2cccc(OCc3cccnc3)c2)CC1 c1cncc(c1)[*:1] CC1CCC(C)(CC1)NC(=O)Cc1cccc(c1)OC[*:1]
CC1CCC(C)(NC(=O)Cc2cccc(OCc3cccnc3)c2)CC1 CC1CCC(C)(CC1)[*:1] O=C(Cc1cccc(c1)OCc1cccnc1)N[*:1]
[NH3+]C1(Cc2cccc(O)c2)CCC(c2ccccc2)CC1 Oc1cccc(c1)[*:1] [NH3+]C1(CCC(CC1)c1ccccc1)C[*:1]
[NH3+]C1(Cc2cccc(O)c2)CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] [NH3+]C1(CCC(CC1)[*:1])Cc1cccc(O)c1
CN(C)c1cc(C(=O)Nc2cccc(Cl)c2Cl)ccn1 CN(C)[*:1] O=C(Nc1cccc(Cl)c1Cl)c1ccnc(c1)[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)NCc2[nH+]ccn2C)n1 CCc1ccccc1[*:1] Cn1cc[nH+]c1CNC(=O)c1nn(cc1[O-])[*:1]
CCCSCC(=O)N1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 CCCS[*:1] O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN1C(=O)C[*:1]
CCCSCC(=O)N1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 CCCSC[*:1] O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN1C(=O)[*:1]
CCCSCC(=O)N1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 CCC[*:1] O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN1C(=O)CS[*:1]
NC(=O)c1ccc(C(F)(F)F)nc1N[C@H]1CC=CCC1 FC(F)(F)[*:1] NC(=O)c1ccc(nc1N[C@H]1CC=CCC1)[*:1]
NC(=O)c1ccc(C(F)(F)F)nc1N[C@H]1CC=CCC1 NC(=O)[*:1] FC(F)(F)c1ccc(c(n1)N[C@H]1CC=CCC1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(cc1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
Cn1nc2n(c1=O)CCN(S(=O)(=O)Cc1ccccc1F)C2 Fc1ccccc1[*:1] Cn1nc2CN(CCn2c1=O)S(=O)(=O)C[*:1]
C[C@](O)(CNC(=O)/C=C/c1ccc2c(c1)OCCO2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)/C=C/c1ccc2OCCOc2c1)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)CO[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)O[*:1] C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)C[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(COC(C)(C)C)cc1 O=C(N[*:1])c1cccs1 C[C@H](C(=O)Nc1ccc(cc1)COC(C)(C)C)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)OC[*:1] C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(COC(C)(C)C)cc1 c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1ccc(cc1)COC(C)(C)C
CC[n+]1cc(NC(=O)CSC2=N/C(=C/c3cccnc3)C(=O)N2c2ccccc2)on1 c1ccc(cc1)[*:1] CC[n+]1cc(NC(=O)CSC2=N/C(=C/c3cccnc3)C(=O)N2[*:1])on1
CC[n+]1cc(NC(=O)CSC2=N/C(=C/c3cccnc3)C(=O)N2c2ccccc2)on1 c1cncc(c1)[*:1] CC[n+]1cc(NC(=O)CSC2=NC(=C[*:1])C(=O)N2c2ccccc2)on1
O=C(C1=Cc2cc(F)ccc2OC1)N1CCc2c(cccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] O=C(C1=Cc2cc(F)ccc2OC1)N1CCc2c(cccc2[*:1])C1
COc1ccc2c(c1)[C@@H]([NH2+]CCN(C)C1CCCC1)CC2 C1CCC(C1)[*:1] COc1ccc2CC[C@H]([NH2+]CCN(C)[*:1])c2c1
COc1ccc2c(c1)[C@@H]([NH2+]CCN(C)C1CCCC1)CC2 CN(C1CCCC1)[*:1] COc1ccc2CC[C@H]([NH2+]CC[*:1])c2c1
CCOc1ccc([C@H]2CCCN2C(=O)Cc2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1CCCN1C(=O)C[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)Cc2ccc(OC)cc2)cc1 CCO[*:1] COc1ccc(cc1)CC(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
O=C1CCc2cc(S(=O)(=O)/N=C(\[O-])C3CCCC3)ccc2N1 C1CCC(C1)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)/N=C(\[O-])[*:1]
O=S1(=O)C[C@H]([NH2+]CCC2=CCCCC2)[C@@H](S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] O=S1(=O)C[C@H]([NH2+]CCC2=CCCCC2)[C@H](C1)S(=O)(=O)[*:1]
CNC(=O)c1cccc(N[C@@H]2CS[C@H](C)C2)c1 CNC(=O)[*:1] C[C@@H]1C[C@@H](CS1)Nc1cccc(c1)[*:1]
Cc1cccc(N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])CC2)c1C Cc1cccc(c1C)[*:1] O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])CC2)c1C O=C([O-])[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)[C@@H]1CC=CC[C@H]1[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c1 CC(=O)N[*:1] O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nc2cc(Cl)ccc2n1[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nc2cc(Cl)ccc2n1C[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)N[*:1]
CC(C)N[C@]1(C#N)CCC[C@@H](O[C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 CC(C)[*:1] C[C@H]1C[C@@H](CC[C@H]1C)O[C@@H]1CCC[C@](C#N)(C1)N[*:1]
CC(C)N[C@]1(C#N)CCC[C@@H](O[C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 CC(C)N[*:1] C[C@H]1C[C@@H](CC[C@H]1C)O[C@@H]1CCC[C@@](C#N)(C1)[*:1]
C[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cn1 FC(F)(F)[*:1] C[C@@H]([NH2+]C1CCN(CC1)c1ccc(cn1)[*:1])c1ccc(F)cn1
C[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
C[C@H](O)C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 FC(F)(F)[*:1] C[C@H](O)C1CCN(CC1)C(=O)c1cccc(c1F)[*:1]
C[C@H](O)C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 C[C@H](O)[*:1] O=C(c1cccc(c1F)C(F)(F)F)N1CCC(CC1)[*:1]
CC[C@H](C)NC(=O)c1cc(C)c(C#CCN)s1 NCC#C[*:1] CC[C@H](C)NC(=O)c1cc(C)c(s1)[*:1]
CC[C@H](C)NC(=O)c1cc(C)c(C#CCN)s1 CC[C@H](C)[*:1] Cc1cc(sc1C#CCN)C(=O)N[*:1]
Cc1nnc(S[C@@H](C)[C@@H](C)O)o1 C[C@@H](O)[*:1] Cc1nnc(o1)S[C@@H](C)[*:1]
C[C@H]1CN(C(=O)C(=O)NCC2CCC2)c2ccccc21 C1CC(C1)C[*:1] C[C@H]1CN(C(=O)C(=O)N[*:1])c2ccccc21
C[C@H]1CN(C(=O)C(=O)NCC2CCC2)c2ccccc21 C1CC(C1)[*:1] C[C@H]1CN(C(=O)C(=O)NC[*:1])c2ccccc21
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O Fc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc(oc1=O)[*:1]
CS[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C(C)C)C1=O CC(C)[*:1] CS[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C1=O)[*:1]
CCOc1cc(NS(=O)(=O)c2cccc(F)c2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])NS(=O)(=O)c1cccc(F)c1
CCOc1cc(NS(=O)(=O)c2cccc(F)c2)ccc1OC Fc1cccc(c1)[*:1] CCOc1cc(ccc1OC)NS(=O)(=O)[*:1]
CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)cc2N1 CC(C)(C)[*:1] O=C([C@@H]1CCCO1)N1CCCC[C@@H]1c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)cc2N1 FC(F)(F)[*:1] CC(C)(C)[C@@H]1C[C@H](n2nc(cc2N1)[C@H]1CCCCN1C(=O)[C@@H]1CCCO1)[*:1]
CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)cc2N1 C1CO[C@@H](C1)[*:1] CC(C)(C)[C@@H]1C[C@@H](n2nc(cc2N1)[C@H]1CCCCN1C(=O)[*:1])C(F)(F)F
COc1cccc([C@@H]2C(C(N)=O)=C(C)Nc3nc(-c4ccc(Cl)cc4)nn32)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1C(C(N)=O)=C(C)Nc2nc(nn21)[*:1]
COc1cccc([C@@H]2C(C(N)=O)=C(C)Nc3nc(-c4ccc(Cl)cc4)nn32)c1 NC(=O)[*:1] COc1cccc(c1)[C@@H]1C(=C(C)Nc2nc(nn21)-c1ccc(Cl)cc1)[*:1]
COc1cccc([C@@H]2C(C(N)=O)=C(C)Nc3nc(-c4ccc(Cl)cc4)nn32)c1 COc1cccc(c1)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(N)=O)[*:1])-c1ccc(Cl)cc1
COC(=O)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1NC(=O)NC(C)=C1C(=O)[*:1]
COC(=O)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1NC(=O)NC(C)=C1[*:1]
COC(=O)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1 COC(=O)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)c1ccccc1)c1ccc(cc1)[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc([N+](=O)[O-])cc3n2C)cc1 O=[N+]([O-])[*:1] CN(C1CC1)S(=O)(=O)c1ccc(cc1)C(=O)/N=c1\sc2ccc(cc2n1C)[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc([N+](=O)[O-])cc3n2C)cc1 CN(C1CC1)S(=O)(=O)[*:1] Cn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2ccc(cc21)[N+](=O)[O-]
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc([N+](=O)[O-])cc3n2C)cc1 C1CC1[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)/N=c1\sc2ccc(cc2n1C)[N+](=O)[O-])[*:1]
C[C@H](CNC(=O)N1CCN(c2ncccc2F)CC1)[S@](C)=O Fc1cccnc1[*:1] C[C@H](CNC(=O)N1CCN(CC1)[*:1])[S@](C)=O
C[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@H]1CC(=O)N(C1)[*:1])c1ccccc1
C[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1)[*:1]
C[C@@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(N[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1)N[*:1]
CCNS(=O)(=O)[C@@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)C1 CCNS(=O)(=O)[*:1] N#Cc1ccc(c(c1)C(F)(F)F)N1CC[C@H](C1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)C1 FC(F)(F)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)c1ccc(C#N)cc1[*:1]
CC(C)Oc1ccc(NC(=O)C(=O)NC2CCCCCCC2)cc1 CC(C)O[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)NC1CCCCCCC1
CC(C)Oc1ccc(NC(=O)C(=O)NC2CCCCCCC2)cc1 C1CCCC(CCC1)[*:1] CC(C)Oc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC(C)Oc1ccc(NC(=O)C(=O)NC2CCCCCCC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)O[*:1])C(=O)NC1CCCCCCC1
CCc1nc(C)c([C@H](C)OC(=O)CC(C)(C)C)s1 CC(C)(C)C[*:1] CCc1nc(C)c(s1)[C@H](C)OC(=O)[*:1]
CCc1nc(C)c([C@H](C)OC(=O)CC(C)(C)C)s1 CC(C)(C)[*:1] CCc1nc(C)c(s1)[C@H](C)OC(=O)C[*:1]
O=C(Cc1ccon1)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 c1cc(C[*:1])no1 O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
O=C(Cc1ccon1)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 c1cc(no1)[*:1] O=C(C[*:1])N[C@@H]1C[C@@H]1c1cccc(Cl)c1
O=c1cc(CSc2ncnc3cc(-c4ccc(F)cc4)sc23)nc2sccn12 Fc1ccc(cc1)[*:1] O=c1cc(CSc2ncnc3cc(sc23)[*:1])nc2sccn12
CC(=O)Nc1ccc(F)c(NCc2ccc(OC(F)F)cc2)c1 FC(F)[*:1] CC(=O)Nc1ccc(F)c(c1)NCc1ccc(cc1)O[*:1]
CC(=O)Nc1ccc(F)c(NCc2ccc(OC(F)F)cc2)c1 FC(F)O[*:1] CC(=O)Nc1ccc(F)c(c1)NCc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(F)c(NCc2ccc(OC(F)F)cc2)c1 CC(=O)N[*:1] Fc1ccc(cc1NCc1ccc(cc1)OC(F)F)[*:1]
COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)Cn1cc(c(=O)c2cc(F)ccc21)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1 Cc1ccc(cc1)NC(=O)C[*:1] COc1ccc(cc1)S(=O)(=O)c1cn(c2ccc(F)cc2c1=O)[*:1]
COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)c1cn(CC(=O)N[*:1])c2ccc(F)cc2c1=O
COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)c1cn(C[*:1])c2ccc(F)cc2c1=O
COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1 COc1ccc(cc1)S(=O)(=O)[*:1] Cc1ccc(cc1)NC(=O)Cn1cc(c(=O)c2cc(F)ccc21)[*:1]
CCCN(C(=O)Cc1c(C(=O)[O-])c(C)cn1CC)c1cccc(Cl)c1 O=C([O-])[*:1] CCCN(C(=O)Cc1c(c(C)cn1CC)[*:1])c1cccc(Cl)c1
CCCN(C(=O)Cc1c(C(=O)[O-])c(C)cn1CC)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCCN(C(=O)Cc1c(C(=O)[O-])c(C)cn1CC)[*:1]
CCCN(C(=O)Cc1c(C(=O)[O-])c(C)cn1CC)c1cccc(Cl)c1 CCC[*:1] CCn1cc(C)c(C(=O)[O-])c1CC(=O)N(c1cccc(Cl)c1)[*:1]
Cc1csc(N2CCN(C(=O)c3c(C)nn(Cc4ccccc4)c3C)CC2)n1 Cc1csc(n1)[*:1] Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(CC1)[*:1]
Cc1csc(N2CCN(C(=O)c3c(C)nn(Cc4ccccc4)c3C)CC2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)N1CCN(CC1)C(=O)c1c(C)nn(c1C)[*:1]
Cc1csc(N2CCN(C(=O)c3c(C)nn(Cc4ccccc4)c3C)CC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N1CCN(CC1)C(=O)c1c(C)nn(C[*:1])c1C
COc1ccc(OC)c2c1=C[C@@H](C(=O)N1CCN(C(=O)c3ccncc3)CC1)[NH+]=2 c1cc(ccn1)[*:1] COc1ccc(OC)c2=[NH+][C@@H](C=c12)C(=O)N1CCN(CC1)C(=O)[*:1]
C[C@H]1C[C@H](C)CN(C(=O)Nc2cccc(C(N)=O)c2)C1 NC(=O)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)Nc1cccc(c1)[*:1]
CC(C)N(CCCC(=O)[O-])C(=O)Cc1c(F)cccc1F O=C([O-])[*:1] CC(C)N(CCC[*:1])C(=O)Cc1c(F)cccc1F
CC(C)N(CCCC(=O)[O-])C(=O)Cc1c(F)cccc1F O=C([O-])CC[*:1] CC(C)N(C[*:1])C(=O)Cc1c(F)cccc1F
CC(C)N(CCCC(=O)[O-])C(=O)Cc1c(F)cccc1F O=C([O-])CCC[*:1] CC(C)N(C(=O)Cc1c(F)cccc1F)[*:1]
CC(C)N(CCCC(=O)[O-])C(=O)Cc1c(F)cccc1F O=C([O-])C[*:1] CC(C)N(CC[*:1])C(=O)Cc1c(F)cccc1F
CC(C)N(CCCC(=O)[O-])C(=O)Cc1c(F)cccc1F CC(C)[*:1] O=C([O-])CCCN(C(=O)Cc1c(F)cccc1F)[*:1]
CCn1cnnc1CNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 CCn1cnnc1C[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)N[*:1]
CCn1cnnc1CNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] CCn1cnnc1CNC(=O)c1cccc(c1)C(=O)O[*:1]
CCn1cnnc1CNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)OC(=O)[*:1] CCn1cnnc1CNC(=O)c1cccc(c1)[*:1]
CCn1cnnc1CNC(=O)c1cccc(C(=O)OC(C)(C)C)c1 CCn1cnnc1[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)NC[*:1]
COc1ccc2[nH]cc(C(=O)NCC(=O)NCC(C)C)c2n1 CC(C)[*:1] COc1ccc2[nH]cc(C(=O)NCC(=O)NC[*:1])c2n1
COc1ccc2[nH]cc(C(=O)NCC(=O)NCC(C)C)c2n1 CC(C)CNC(=O)[*:1] COc1ccc2[nH]cc(C(=O)NC[*:1])c2n1
COc1ccc2[nH]cc(C(=O)NCC(=O)NCC(C)C)c2n1 CC(C)C[*:1] COc1ccc2[nH]cc(C(=O)NCC(=O)N[*:1])c2n1
O=C(NC[C@H]1CCCO1)Nc1cccc(COc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] O=C(NC[C@H]1CCCO1)Nc1cccc(c1)CO[*:1]
O=C(NC[C@H]1CCCO1)Nc1cccc(COc2cccc(F)c2)c1 Fc1cccc(c1)O[*:1] O=C(NC[C@H]1CCCO1)Nc1cccc(c1)C[*:1]
CCCn1c(N)c(N(CCOC)C(=O)c2cc3ccccc3o2)c(=O)[nH]c1=O c1ccc2oc(cc2c1)[*:1] CCCn1c(N)c(c(=O)[nH]c1=O)N(CCOC)C(=O)[*:1]
CCCn1c(N)c(N(CCOC)C(=O)c2cc3ccccc3o2)c(=O)[nH]c1=O COCC[*:1] CCCn1c(N)c(c(=O)[nH]c1=O)N(C(=O)c1cc2ccccc2o1)[*:1]
CCCn1c(N)c(N(CCOC)C(=O)c2cc3ccccc3o2)c(=O)[nH]c1=O CCC[*:1] COCCN(C(=O)c1cc2ccccc2o1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCCn1c(N)c(N(CCOC)C(=O)c2cc3ccccc3o2)c(=O)[nH]c1=O COC[*:1] CCCn1c(N)c(c(=O)[nH]c1=O)N(C[*:1])C(=O)c1cc2ccccc2o1
CN(C)S(=O)(=O)c1ccc(I)c(C(=O)Nc2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] CN(C)S(=O)(=O)c1ccc(I)c(c1)C(=O)N[*:1]
CN(C)S(=O)(=O)c1ccc(I)c(C(=O)Nc2nc[nH]n2)c1 CN(C)S(=O)(=O)[*:1] O=C(Nc1nc[nH]n1)c1cc(ccc1I)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)N2NC=C(C(N)=O)C2=N1 NC(=O)[*:1] CC1N=C2C(=CNN2[C@@H](C=1C(=O)Nc1ccccc1)c1ccc(O)cc1)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)N2NC=C(C(N)=O)C2=N1 O=C(Nc1ccccc1)[*:1] CC1N=C2C(=CNN2[C@@H](C=1[*:1])c1ccc(O)cc1)C(N)=O
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)N2NC=C(C(N)=O)C2=N1 Oc1ccc(cc1)[*:1] CC1N=C2C(=CNN2[C@H](C=1C(=O)Nc1ccccc1)[*:1])C(N)=O
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)N2NC=C(C(N)=O)C2=N1 c1ccc(cc1)[*:1] CC1N=C2C(=CNN2[C@@H](C=1C(=O)N[*:1])c1ccc(O)cc1)C(N)=O
CCCc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)n(C)n1 O=C1CCCN1[*:1] CCCc1cc(NC(=O)N[C@@H](C)c2ccc(cc2)[*:1])n(C)n1
CCCc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)n(C)n1 CCC[*:1] C[C@H](NC(=O)Nc1cc(nn1C)[*:1])c1ccc(cc1)N1CCCC1=O
CCCc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)n(C)n1 CCCc1cc(n(C)n1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)N1CCCC1=O
C=C1c2ccccc2C(=O)N1[C@](C)(CC)C(=O)[O-] O=C([O-])[*:1] C=C1c2ccccc2C(=O)N1[C@](C)(CC)[*:1]
CN(Cc1cnc(C2CC2)s1)[C@H]1CCN(CC(F)(F)F)C1=O C1CC1[*:1] CN(Cc1cnc(s1)[*:1])[C@H]1CCN(CC(F)(F)F)C1=O
CN(Cc1cnc(C2CC2)s1)[C@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] CN(Cc1cnc(s1)C1CC1)[C@H]1CCN(C1=O)[*:1]
CN(Cc1cnc(C2CC2)s1)[C@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] CN(Cc1cnc(s1)C1CC1)[C@H]1CCN(C[*:1])C1=O
CC(C)(C)OC(=O)N1CC[C@@H](CNCC(=O)c2cnccn2)C1 CC(C)(C)[*:1] O=C(CNC[C@@H]1CCN(C1)C(=O)O[*:1])c1cnccn1
CC(C)(C)OC(=O)N1CC[C@@H](CNCC(=O)c2cnccn2)C1 c1cnc(cn1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](CNCC(=O)[*:1])C1
CSc1ccc(C(=O)Oc2ccc(C)cc2[N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CSc1ccc(cn1)C(=O)Oc1ccc(C)cc1[*:1]
CCCOCC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 CCCOC[*:1] Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)[*:1]
CCCOCC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 CCCO[*:1] Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)C[*:1]
CCCOCC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 CCC[*:1] Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CO[*:1]
CCCOCC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCCOCC(=O)N1CCC(CC1)C(=O)[*:1]
CCC[NH2+][C@H]1c2ccccc2CCC[C@@H]1Cc1nccs1 c1csc(C[*:1])n1 CCC[NH2+][C@H]1c2ccccc2CCC[C@H]1[*:1]
CCC[NH2+][C@H]1c2ccccc2CCC[C@@H]1Cc1nccs1 CCC[*:1] c1ccc2c(c1)CCC[C@H](Cc1nccs1)[C@H]2[NH2+][*:1]
CCC[NH2+][C@H]1c2ccccc2CCC[C@@H]1Cc1nccs1 c1csc(n1)[*:1] CCC[NH2+][C@H]1c2ccccc2CCC[C@@H]1C[*:1]
CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(Br)ccc2OCCOc2ccccc2C)S1 Cc1ccccc1O[*:1] CC(=O)NC1=NN(C(C)=O)[C@@H](S1)c1cc(Br)ccc1OCC[*:1]
CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(Br)ccc2OCCOc2ccccc2C)S1 Cc1ccccc1[*:1] CC(=O)NC1=NN(C(C)=O)[C@@H](S1)c1cc(Br)ccc1OCCO[*:1]
CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(Br)ccc2OCCOc2ccccc2C)S1 Cc1ccccc1OCC[*:1] CC(=O)NC1=NN(C(C)=O)[C@@H](S1)c1cc(Br)ccc1O[*:1]
CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(Br)ccc2OCCOc2ccccc2C)S1 Cc1ccccc1OC[*:1] CC(=O)NC1=NN(C(C)=O)[C@@H](S1)c1cc(Br)ccc1OC[*:1]
CCOC(=O)N1CCN([C@@H](c2ccc(OCC)cc2)c2sc3nc(C)nn3c2O)CC1 CCOc1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)[C@@H](c1sc2nc(C)nn2c1O)[*:1]
CCOC(=O)N1CCN([C@@H](c2ccc(OCC)cc2)c2sc3nc(C)nn3c2O)CC1 CCO[*:1] CCOC(=O)N1CCN(CC1)[C@@H](c1ccc(cc1)[*:1])c1sc2nc(C)nn2c1O
Cc1ccc(Cn2nccc2NC(=O)C(=O)Nc2cn[nH]c2)s1 Cc1ccc(C[*:1])s1 O=C(Nc1cn[nH]c1)C(=O)Nc1ccnn1[*:1]
Cc1ccc(Cn2nccc2NC(=O)C(=O)Nc2cn[nH]c2)s1 c1n[nH]cc1[*:1] Cc1ccc(Cn2nccc2NC(=O)C(=O)N[*:1])s1
Cc1ccc(Cn2nccc2NC(=O)C(=O)Nc2cn[nH]c2)s1 Cc1ccc(s1)[*:1] O=C(Nc1cn[nH]c1)C(=O)Nc1ccnn1C[*:1]
CN(Cc1ccccc1)C(=O)[C@]1(C)Sc2ccccc2N(C)C1=O c1ccc(cc1)C[*:1] CN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)N(C)[*:1]
CN(Cc1ccccc1)C(=O)[C@]1(C)Sc2ccccc2N(C)C1=O c1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@]1(C)Sc2ccccc2N(C)C1=O
O=C(NC[C@@H]1COCCO1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] O=C(NC[C@@H]1COCCO1)c1csc(n1)-c1ccc(cc1)[*:1]
Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)Cn1nc(nc1-c1ccccc1)[*:1]
Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(Cn1nc(nc1-c1ccccc1)-c1ccccc1)N[*:1]
Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)Cn1nc(nc1[*:1])-c1ccccc1
COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 FC(F)(F)[*:1] COc1cc(cc(c1)C(=O)N1CC[NH+](CC1)Cc1ccccc1[*:1])OC
CC1CCN(C(=O)[C@@H](C)S(=O)(=O)[C@@H](C)[C@@H](C)O)CC1 C[C@@H](O)[*:1] CC1CCN(CC1)C(=O)[C@@H](C)S(=O)(=O)[C@@H](C)[*:1]
O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F
O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1cccc(c1)C(F)(F)F
O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 O=C(NC[C@@H]1CCCO1)[*:1] O=S(=O)(c1cccc(c1)C(F)(F)F)N1CCC[C@H](C1)[*:1]
O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(C1)S(=O)(=O)c1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(C(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)c1 Cc1n[nH]c(C)c1[*:1] CCCC(=O)Nc1cccc(c1)C(=O)N[C@@H](C(=O)[O-])[*:1]
CCCC(=O)Nc1cccc(C(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)c1 CCCC(=O)N[*:1] Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cccc(c1)[*:1])C(=O)[O-]
CCCC(=O)Nc1cccc(C(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)c1 CCC[*:1] Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cccc(c1)NC(=O)[*:1])C(=O)[O-]
CCCC(=O)Nc1cccc(C(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)c1 O=C([O-])[*:1] CCCC(=O)Nc1cccc(c1)C(=O)N[C@@H](c1c(C)n[nH]c1C)[*:1]
CCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc([N+](=O)[O-])cc1 CC(C)OC(=O)[*:1] CCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C([C@H]2c1ccc(cc1)[N+](=O)[O-])[*:1]
CCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc([N+](=O)[O-])cc1 CC(C)[*:1] CCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)O[*:1])[C@H]2c1ccc(cc1)[N+](=O)[O-]
CCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OC(C)C)[C@@H]2[*:1]
CCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCSC1=NC(=O)[C@H]2C(=N1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc(cc1)[*:1]
NC(=O)[C@@H]1CCCN(c2cc(Cl)c(Cl)cc2N)C1 NC(=O)[*:1] Nc1cc(Cl)c(Cl)cc1N1CCC[C@H](C1)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1noc2c1CCCC2 c1ccc(cc1)C[*:1] CN(C)C(=O)[C@H](NC(=O)c1noc2CCCCc12)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1noc2c1CCCC2 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](C[*:1])NC(=O)c1noc2CCCCc12
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1noc2c1CCCC2 CN(C)C(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1noc2CCCCc12
NC(=O)[C@H]1CC[C@@H](C[NH2+][C@H]2C[C@@H]3CC[C@H]2C3)O1 NC(=O)[*:1] C1C[C@@H](O[C@@H]1C[NH2+][C@H]1C[C@@H]2CC[C@H]1C2)[*:1]
CCS[C@@H]1CCC[C@@H](N/C(NCc2ncnn2C)=[NH+]\C)C1 Cn1ncnc1[*:1] CCS[C@@H]1CCC[C@H](C1)N/C(NC[*:1])=[NH+]\C
CCS[C@@H]1CCC[C@@H](N/C(NCc2ncnn2C)=[NH+]\C)C1 Cn1ncnc1C[*:1] CCS[C@@H]1CCC[C@H](C1)N/C(N[*:1])=[NH+]\C
CCS[C@@H]1CCC[C@@H](N/C(NCc2ncnn2C)=[NH+]\C)C1 CCS[*:1] C/[NH+]=C(/NCc1ncnn1C)N[C@@H]1CCC[C@H](C1)[*:1]
CCC[C@H](NC(=O)CSc1nc2nc(C)cc(C)n2n1)c1ccccc1 CCC[*:1] Cc1cc(C)n2nc(nc2n1)SCC(=O)N[C@H](c1ccccc1)[*:1]
CCC[C@H](NC(=O)CSc1nc2nc(C)cc(C)n2n1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](NC(=O)CSc1nc2nc(C)cc(C)n2n1)[*:1]
O=C(C1=c2ccccc2=[NH+]C1)[C@@H](S[C@H]1NN=C2CCCCCN21)c1ccccc1 c1ccc(cc1)[*:1] O=C(C1C[NH+]=c2ccccc2=1)[C@@H](S[C@H]1NN=C2CCCCCN21)[*:1]
COc1cccc2cc(-c3csc(NC(=O)NCCc4ccccc4)n3)oc12 c1ccc(cc1)C[*:1] COc1cccc2cc(oc12)-c1csc(n1)NC(=O)NC[*:1]
COc1cccc2cc(-c3csc(NC(=O)NCCc4ccccc4)n3)oc12 c1ccc(cc1)CC[*:1] COc1cccc2cc(oc12)-c1csc(n1)NC(=O)N[*:1]
COc1cccc2cc(-c3csc(NC(=O)NCCc4ccccc4)n3)oc12 c1ccc(cc1)[*:1] COc1cccc2cc(oc12)-c1csc(n1)NC(=O)NCC[*:1]
COc1ccc2c(c1)=C[C@@H](CN(C(C)=O)C(C)(C)C)C(=O)[NH+]=2 CC(C)(C)[*:1] COc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C(C)=O)[*:1]
CC(C)c1[nH+]c(-c2ccccc2C2CC2)c(N)n1N C1CC1[*:1] CC(C)c1[nH+]c(-c2ccccc2[*:1])c(N)n1N
CC(C)c1[nH+]c(-c2ccccc2C2CC2)c(N)n1N CC(C)[*:1] Nc1c([nH+]c(n1N)[*:1])-c1ccccc1C1CC1
COC(=O)c1c(NC(=O)N(C)CC(C)(C)O)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)N(C)CC(C)(C)O)c(c1C)[*:1]
COC(=O)c1c(NC(=O)N(C)CC(C)(C)O)sc(C)c1C CC(C)(O)C[*:1] COC(=O)c1c(NC(=O)N(C)[*:1])sc(C)c1C
COC(=O)c1c(NC(=O)N(C)CC(C)(C)O)sc(C)c1C CC(C)(O)[*:1] COC(=O)c1c(NC(=O)N(C)C[*:1])sc(C)c1C
Cc1ccc(OCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 Cc1ccc(cc1)[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)CO[*:1]
COc1cc(OC)cc(C(=O)NCCN2CCN(C(=O)c3cc(C)on3)CC2)c1 Cc1cc(no1)[*:1] COc1cc(cc(c1)C(=O)NCCN1CCN(CC1)C(=O)[*:1])OC
COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(Cl)cc1)CO3 COC(=O)[*:1] Cc1c(C[*:1])c(=O)oc2c3CN(COc3ccc12)Cc1ccc(Cl)cc1
COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(Cl)cc1)CO3 Clc1ccc(cc1)[*:1] COC(=O)Cc1c(C)c2ccc3OCN(Cc3c2oc1=O)C[*:1]
COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(Cl)cc1)CO3 Clc1ccc(cc1)C[*:1] COC(=O)Cc1c(C)c2ccc3OCN(Cc3c2oc1=O)[*:1]
COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(Cl)cc1)CO3 COC(=O)C[*:1] Cc1c(c(=O)oc2c3CN(COc3ccc12)Cc1ccc(Cl)cc1)[*:1]
O=c1oc2ccccc2n1CCSCc1ccco1 c1coc(c1)[*:1] O=c1oc2ccccc2n1CCSC[*:1]
O=c1oc2ccccc2n1CCSCc1ccco1 c1coc(c1)C[*:1] O=c1oc2ccccc2n1CCS[*:1]
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 CCC[*:1] Cc1ccc(cc1Cl)NC(=O)c1nc(ncc1Cl)S(=O)(=O)[*:1]
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 Cc1ccc(cc1Cl)[*:1] CCCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)N[*:1]
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 CCCS(=O)(=O)[*:1] Cc1ccc(cc1Cl)NC(=O)c1nc(ncc1Cl)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C Cc1noc(C)c1[*:1] C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C)[*:1]
Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)c1 O=C(C[*:1])NC1CC1 Cc1cccc(c1)-n1ccnc1S[C@@H](C)C(=O)N(C)[*:1]
Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)c1 Cc1cccc(c1)[*:1] C[C@H](Sc1nccn1[*:1])C(=O)N(C)CC(=O)NC1CC1
Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] Cc1cccc(c1)-n1ccnc1S[C@@H](C)C(=O)N(C)C[*:1]
Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)c1 C1CC1[*:1] Cc1cccc(c1)-n1ccnc1S[C@@H](C)C(=O)N(C)CC(=O)N[*:1]
Cc1nc(C(C)(C)NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)sc1C Cc1nc(sc1C)[*:1] CC(C)[C@@H](CNC(=O)NC(C)(C)[*:1])[NH+]1CCCC1
Cc1nc(C(C)(C)NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)sc1C CC(C)[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CCOC(=O)CCCNC(=O)N[C@@H]1CCCc2c1cnn2C CCOC(=O)CC[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)NC[*:1]
CCOC(=O)CCCNC(=O)N[C@@H]1CCCc2c1cnn2C CCOC(=O)[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)NCCC[*:1]
CCOC(=O)CCCNC(=O)N[C@@H]1CCCc2c1cnn2C CCOC(=O)C[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)NCC[*:1]
CC(C)OC(=O)c1cccc(-c2nnn(CC#N)n2)c1 N#CC[*:1] CC(C)OC(=O)c1cccc(c1)-c1nnn(n1)[*:1]
CC(C)OC(=O)c1cccc(-c2nnn(CC#N)n2)c1 CC(C)[*:1] N#CCn1nnc(n1)-c1cccc(c1)C(=O)O[*:1]
CC(C)OC(=O)c1cccc(-c2nnn(CC#N)n2)c1 CC(C)OC(=O)[*:1] N#CCn1nnc(n1)-c1cccc(c1)[*:1]
N#C[C@@H]1CCCO[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] N#C[C@@H]1CCCO[C@H]1c1ccccc1[*:1]
N#C[C@@H]1CCCO[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)[*:1] N#C[C@@H]1CCCO[C@H]1c1ccccc1O[*:1]
CCCc1c(C(C)(C)S(C)(=O)=O)nn(C)c1N CCC[*:1] Cn1nc(c(c1N)[*:1])C(C)(C)S(C)(=O)=O
CCCc1c(C(C)(C)S(C)(=O)=O)nn(C)c1N CS(=O)(=O)[*:1] CCCc1c(nn(C)c1N)C(C)(C)[*:1]
COC(=O)c1cncc(NCC2(O)CCCC2)n1 COC(=O)[*:1] OC1(CCCC1)CNc1cncc(n1)[*:1]
COC(=O)c1cncc(NCC2(O)CCCC2)n1 OC1(CCCC1)[*:1] COC(=O)c1cncc(n1)NC[*:1]
C[C@H]1CCC[C@@H](C(=O)Nc2nn(C)cc2C(N)=O)C1 NC(=O)[*:1] C[C@H]1CCC[C@H](C1)C(=O)Nc1nn(C)cc1[*:1]
Cn1c(CNC(=O)Nc2cccc(F)c2)nnc1SCc1cccnc1 Fc1cccc(c1)[*:1] Cn1c(CNC(=O)N[*:1])nnc1SCc1cccnc1
Cn1c(CNC(=O)Nc2cccc(F)c2)nnc1SCc1cccnc1 c1cncc(c1)C[*:1] Cn1c(CNC(=O)Nc2cccc(F)c2)nnc1S[*:1]
Cn1c(CNC(=O)Nc2cccc(F)c2)nnc1SCc1cccnc1 c1cncc(c1)CS[*:1] Cn1c(CNC(=O)Nc2cccc(F)c2)nnc1[*:1]
Cn1c(CNC(=O)Nc2cccc(F)c2)nnc1SCc1cccnc1 c1cncc(c1)[*:1] Cn1c(CNC(=O)Nc2cccc(F)c2)nnc1SC[*:1]
CC[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1c(C)nn(C)c1C C[C@]1(CC1(Cl)Cl)[*:1] CC[C@H](NC(=O)[*:1])c1c(C)nn(C)c1C
Cn1cc(CCC(=O)N2CCC[C@H](n3cncn3)C2)cn1 c1ncn(n1)[*:1] Cn1cc(cn1)CCC(=O)N1CCC[C@H](C1)[*:1]
Cn1cc(CCC(=O)N2CCC[C@H](n3cncn3)C2)cn1 Cn1cc(cn1)C[*:1] O=C(C[*:1])N1CCC[C@@H](C1)n1cncn1
Cn1cc(CCC(=O)N2CCC[C@H](n3cncn3)C2)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)n1cncn1
Cc1cccc(NC(=O)CNc2ccc(S(=O)(=O)NC(C)C)cc2)c1C CC(C)NS(=O)(=O)[*:1] Cc1cccc(NC(=O)CNc2ccc(cc2)[*:1])c1C
Cc1cccc(NC(=O)CNc2ccc(S(=O)(=O)NC(C)C)cc2)c1C CC(C)[*:1] Cc1cccc(NC(=O)CNc2ccc(cc2)S(=O)(=O)N[*:1])c1C
Cc1cccc(NC(=O)CNc2ccc(S(=O)(=O)NC(C)C)cc2)c1C Cc1cccc(c1C)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NCC(=O)N[*:1]
Brc1cccc(Cc2noc(CSc3nncn3C3CC3)n2)c1 C1CC1[*:1] Brc1cccc(c1)Cc1noc(CSc2nncn2[*:1])n1
Brc1cccc(Cc2noc(CSc3nncn3C3CC3)n2)c1 Brc1cccc(c1)[*:1] c1nnc(SCc2nc(C[*:1])no2)n1C1CC1
C[C@H]1CN(CC(=O)NC2CCCCC2)c2ccccc2NC1=O C1CCC(CC1)[*:1] C[C@H]1CN(CC(=O)N[*:1])c2ccccc2NC1=O
CC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NC3CCCC3)cc2C)c1 C1CCC(C1)[*:1] CC(=O)c1cccc(c1)NC(=O)CNc1ccc(cc1C)C(=O)N[*:1]
CC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NC3CCCC3)cc2C)c1 CC(=O)c1cccc(c1)[*:1] Cc1cc(ccc1NCC(=O)N[*:1])C(=O)NC1CCCC1
CC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NC3CCCC3)cc2C)c1 O=C(NC1CCCC1)[*:1] CC(=O)c1cccc(c1)NC(=O)CNc1ccc(cc1C)[*:1]
CC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NC3CCCC3)cc2C)c1 CC(=O)[*:1] Cc1cc(ccc1NCC(=O)Nc1cccc(c1)[*:1])C(=O)NC1CCCC1
C[C@@H](CNC(=O)Nc1cnn(-c2ccccc2)n1)CC1(C)OCCO1 CC1(OCCO1)[*:1] C[C@@H](CNC(=O)Nc1cnn(n1)-c1ccccc1)C[*:1]
C[C@@H](CNC(=O)Nc1cnn(-c2ccccc2)n1)CC1(C)OCCO1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)Nc1cnn(n1)[*:1])CC1(C)OCCO1
C[C@@H](CNC(=O)Nc1cnn(-c2ccccc2)n1)CC1(C)OCCO1 CC1(C[*:1])OCCO1 C[C@@H](CNC(=O)Nc1cnn(n1)-c1ccccc1)[*:1]
Cc1ccc(-c2nnc(-c3nnn(-c4cccc(C)c4)c3C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)-n1nnc(-c2nnc(o2)[*:1])c1C
Cc1ccc(-c2nnc(-c3nnn(-c4cccc(C)c4)c3C)o2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)-c1nnc(o1)-c1nnn(c1C)[*:1]
Brc1ccc(C[NH2+]Cc2ccccc2CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] Brc1ccc(cc1)C[NH2+]Cc1ccccc1[*:1]
Brc1ccc(C[NH2+]Cc2ccccc2CN2CCOCC2)cc1 C1CN(CCO1)[*:1] Brc1ccc(cc1)C[NH2+]Cc1ccccc1C[*:1]
Brc1ccc(C[NH2+]Cc2ccccc2CN2CCOCC2)cc1 Brc1ccc(cc1)[*:1] c1ccc(CN2CCOCC2)c(c1)C[NH2+]C[*:1]
O=C(Nc1ccccc1Cl)N1CCC(CO)(C[C@H]2CCCCO2)CC1 Clc1ccccc1[*:1] O=C(N[*:1])N1CCC(CO)(CC1)C[C@H]1CCCCO1
c1coc(C[NH+]2CCC3(CCCC3)C2)c1 c1coc(c1)[*:1] C1CCC2(C1)CC[NH+](C2)C[*:1]
CC[C@@H](C)[C@@H](C)NC(=O)Nc1c(C)nn(CCOC)c1C COCC[*:1] CC[C@@H](C)[C@@H](C)NC(=O)Nc1c(C)nn(c1C)[*:1]
CC[C@@H](C)[C@@H](C)NC(=O)Nc1c(C)nn(CCOC)c1C CC[C@@H](C)[*:1] COCCn1nc(C)c(NC(=O)N[C@H](C)[*:1])c1C
CC[C@@H](C)[C@@H](C)NC(=O)Nc1c(C)nn(CCOC)c1C COC[*:1] CC[C@@H](C)[C@@H](C)NC(=O)Nc1c(C)nn(C[*:1])c1C
CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 Cc1cnn(c1)[*:1] CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(c(F)c1)[*:1]
CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 COC[*:1] CC[C@@H]([NH2+][C@@H](C)c1ccc(c(F)c1)-n1cc(C)cn1)[*:1]
CCCCCO[C@H](C(=O)[O-])c1ccccc1 CCC[*:1] O=C([O-])[C@@H](OCC[*:1])c1ccccc1
CCCCCO[C@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CCCCCO[C@H](c1ccccc1)[*:1]
CCCCCO[C@H](C(=O)[O-])c1ccccc1 CCCC[*:1] O=C([O-])[C@@H](OC[*:1])c1ccccc1
CCCCCO[C@H](C(=O)[O-])c1ccccc1 CCCCC[*:1] O=C([O-])[C@@H](O[*:1])c1ccccc1
O=C(CC12CC3CC(CC(C3)C1)C2)NCCC(=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NCCC(=O)N[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(N(C)C)[nH+]c1 CN(C)[*:1] C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc([nH+]c1)[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(N(C)C)[nH+]c1 Oc1cccc(c1)[*:1] C[C@@H](N(C)C(=O)Nc1ccc([nH+]c1)N(C)C)[*:1]
O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCC[C@H](C1)[*:1]
O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 Brc1ccc(cc1)[*:1] O=C(CCNC(=O)[*:1])N[C@H]1CCC[C@@H](C1)C(F)(F)F
CCOCc1ccc(NC(=O)/C=C/c2cccc(OC)c2)cc1 CCO[*:1] COc1cccc(/C=C/C(=O)Nc2ccc(cc2)C[*:1])c1
CCOCc1ccc(NC(=O)/C=C/c2cccc(OC)c2)cc1 CCOC[*:1] COc1cccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])c1
O=C1C[C@@H](c2ccccc2F)c2c(n[nH]c2-c2ccccc2)N1 Fc1ccccc1[*:1] O=C1C[C@@H](c2c(n[nH]c2-c2ccccc2)N1)[*:1]
O=C1C[C@@H](c2ccccc2F)c2c(n[nH]c2-c2ccccc2)N1 c1ccc(cc1)[*:1] O=C1C[C@@H](c2ccccc2F)c2c(n[nH]c2[*:1])N1
C/C=C(\C)C(=O)N(CC)Cc1cccc(F)c1 CC=C(C)[*:1] CCN(Cc1cccc(F)c1)C(=O)[*:1]
C[C@@H](CCc1cccn1C)NC(=O)N1CC[C@H](C)[C@H](O)C1 Cn1cccc1[*:1] C[C@@H](CC[*:1])NC(=O)N1CC[C@H](C)[C@H](O)C1
C[C@@H](CCc1cccn1C)NC(=O)N1CC[C@H](C)[C@H](O)C1 Cn1cccc1C[*:1] C[C@@H](C[*:1])NC(=O)N1CC[C@H](C)[C@H](O)C1
O=C([O-])COCCNS(=O)(=O)c1ccccc1 O=C([O-])C[*:1] O=S(=O)(NCCO[*:1])c1ccccc1
O=C([O-])COCCNS(=O)(=O)c1ccccc1 O=C([O-])[*:1] O=S(=O)(NCCOC[*:1])c1ccccc1
O=C([O-])COCCNS(=O)(=O)c1ccccc1 O=C([O-])CO[*:1] O=S(=O)(NCC[*:1])c1ccccc1
O=C(CSCC(F)(F)F)N1CCN(C(=O)CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] O=C(CSCC(F)(F)F)N1CCN(CC1)C(=O)[*:1]
O=C(CSCC(F)(F)F)N1CCN(C(=O)CC2CCCCC2)CC1 FC(F)(F)CSC[*:1] O=C(CC1CCCCC1)N1CCN(CC1)C(=O)[*:1]
O=C(CSCC(F)(F)F)N1CCN(C(=O)CC2CCCCC2)CC1 FC(F)(F)CS[*:1] O=C(CC1CCCCC1)N1CCN(CC1)C(=O)C[*:1]
O=C(CSCC(F)(F)F)N1CCN(C(=O)CC2CCCCC2)CC1 FC(F)(F)[*:1] O=C(CSC[*:1])N1CCN(CC1)C(=O)CC1CCCCC1
O=C(CSCC(F)(F)F)N1CCN(C(=O)CC2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(CSCC(F)(F)F)N1CCN(CC1)C(=O)C[*:1]
O=C(CSCC(F)(F)F)N1CCN(C(=O)CC2CCCCC2)CC1 FC(F)(F)C[*:1] O=C(CS[*:1])N1CCN(CC1)C(=O)CC1CCCCC1
CC[C@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cc4F)CC3)ccc21 Fc1cc(Cl)ccc1[*:1] CC[C@H](C)n1nnc2cc(ccc21)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC[C@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(Cl)cc4F)CC3)ccc21 O=C(Nc1ccc(Cl)cc1F)[*:1] CC[C@H](C)n1nnc2cc(ccc21)S(=O)(=O)N1CCC(CC1)[*:1]
COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H](C)[*:1]
COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H](C)O[*:1]
COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 COCC[*:1] COc1ccc(cc1)[C@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1[*:1]
COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1[*:1]
COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)[C@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1C[*:1]
Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(COc1ccc(cc1)S(=O)(=O)Nc1ccccc1)N[*:1]
Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)COc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1cnc(-c2cccc(NC(=O)N[C@@H](C)[C@H](C)N3CCOCC3)c2)o1 C1CN(CCO1)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)N[C@@H](C)[C@H](C)[*:1]
Cc1cnc(-c2cccc(NC(=O)N[C@@H](C)[C@H](C)N3CCOCC3)c2)o1 Cc1cnc(o1)[*:1] C[C@H](NC(=O)Nc1cccc(c1)[*:1])[C@H](C)N1CCOCC1
CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(C(=O)N3CCCC3)cc2)C1=O O=C(N1CCCC1)[*:1] CC[C@]1(NC(=O)N(Cc2ccc(cc2)[*:1])C1=O)c1ccccc1
CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(C(=O)N3CCCC3)cc2)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(Cc2ccc(cc2)C(=O)N2CCCC2)C1=O)[*:1]
Cc1cc(N2CCO[C@@H](C)C2)cc(C(=O)[O-])c1N O=C([O-])[*:1] Cc1cc(cc(c1N)[*:1])N1CCO[C@@H](C)C1
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] Cc1cc(ccc1NC(=O)C(=O)N[*:1])SC(C)(C)C
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NC1CCC(O)CC1 CC(C)(C)S[*:1] Cc1cc(ccc1NC(=O)C(=O)NC1CCC(O)CC1)[*:1]
Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NC1CCC(O)CC1 CC(C)(C)[*:1] Cc1cc(ccc1NC(=O)C(=O)NC1CCC(O)CC1)S[*:1]
O=C(Cc1ccc(N2CCCC2=O)cc1)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)N[*:1]
O=C(Cc1ccc(N2CCCC2=O)cc1)NC(C1CC1)C1CC1 O=C1CCCN1[*:1] O=C(Cc1ccc(cc1)[*:1])NC(C1CC1)C1CC1
O=C(Cc1ccc(N2CCCC2=O)cc1)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)NC(C1CC1)[*:1]
CC(C)N1CCO[C@H](c2nccc(Cl)n2)C1 CC(C)[*:1] Clc1ccnc(n1)[C@@H]1CN(CCO1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 CC(=O)N[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](C1)[*:1]
Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCc3cccnc3)cc2)cc1 c1cncc(c1)CO[*:1] Cc1ccc(cc1)[C@H](C)[NH2+]Cc1ccc(cc1)[*:1]
Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCc3cccnc3)cc2)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)[C@H](C)[NH2+]Cc1ccc(cc1)O[*:1]
Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCc3cccnc3)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)OCc1cccnc1)[*:1]
Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCc3cccnc3)cc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)[C@H](C)[NH2+]Cc1ccc(cc1)OC[*:1]
Cn1nc(NC(=O)c2ccccc2F)c2c1NC(=O)C[C@H]2c1ccccc1 c1ccc(cc1)[*:1] Cn1nc(NC(=O)c2ccccc2F)c2c1NC(=O)C[C@@H]2[*:1]
Cn1nc(NC(=O)c2ccccc2F)c2c1NC(=O)C[C@H]2c1ccccc1 Fc1ccccc1[*:1] Cn1nc(NC(=O)[*:1])c2c1NC(=O)C[C@H]2c1ccccc1
Cc1nn(Cc2nc(C(C)(C)C)cs2)c(C)c1C(=O)[O-] O=C([O-])[*:1] Cc1nn(Cc2nc(cs2)C(C)(C)C)c(C)c1[*:1]
Cc1nn(Cc2nc(C(C)(C)C)cs2)c(C)c1C(=O)[O-] CC(C)(C)[*:1] Cc1nn(Cc2nc(cs2)[*:1])c(C)c1C(=O)[O-]
C[C@@H](OC(=O)c1cnsn1)C(=O)Nc1cc(Cl)ccc1Cl c1nsnc1[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1cc(Cl)ccc1Cl
CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2N)cc1 CCOC(=O)[*:1] Nc1c(oc2ccccc12)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)[C@H]1[C@@H](NC(=S)NC[C@@H]2C=CN=N2)S[C@H]2CCC[C@H]21 COC(=O)[*:1] S=C(NC[C@@H]1C=CN=N1)N[C@H]1S[C@H]2CCC[C@H]2[C@H]1[*:1]
Cn1c(NCc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C Brc1ccc(cc1)[*:1] Cn1c(nc2c1c(=O)n(C[*:1])c(=O)n2C)NCc1ccc(Cl)cc1
Cn1c(NCc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C Clc1ccc(cc1)CN[*:1] Cn1c(nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C)[*:1]
Cn1c(NCc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C Brc1ccc(cc1)C[*:1] Cn1c(nc2c1c(=O)n(c(=O)n2C)[*:1])NCc1ccc(Cl)cc1
Cn1c(NCc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C Clc1ccc(cc1)C[*:1] Cn1c(nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C)N[*:1]
Cn1c(NCc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C Clc1ccc(cc1)[*:1] Cn1c(nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C)NC[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nncn3C)cc2)C1 Cn1cnnc1[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(NC(=O)C2CCCCC2)cc1C[NH+]1CCn2c(nc3ccccc32)C1 C1CCC(CC1)[*:1] COc1ccc(cc1C[NH+]1CCn2c(C1)nc1ccccc12)NC(=O)[*:1]
COc1ccc(NC(=O)C2CCCCC2)cc1C[NH+]1CCn2c(nc3ccccc32)C1 O=C(N[*:1])C1CCCCC1 COc1ccc(cc1C[NH+]1CCn2c(C1)nc1ccccc12)[*:1]
CCN(CC)[C@H](C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)[C@H](C(=O)N1CCC(CC1)c1nc2ccccc2cc1C(N)=O)[*:1]
CCN(CC)[C@H](C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1)c1ccccc1 NC(=O)[*:1] CCN(CC)[C@H](C(=O)N1CCC(CC1)c1nc2ccccc2cc1[*:1])c1ccccc1
CCN(CC)[C@H](C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1)c1ccccc1 CCN(CC)[*:1] NC(=O)c1cc2ccccc2nc1C1CCN(CC1)C(=O)[C@H](c1ccccc1)[*:1]
O=C(NCCNC(=O)c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])c1ccc(F)cc1
O=C(NCCNC(=O)c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])c1ccccc1
CCc1nc2sc(C(=O)NCC(=O)[O-])c(N)c2c(C(F)(F)F)c1C O=C([O-])CNC(=O)[*:1] CCc1nc2sc(c(N)c2c(c1C)C(F)(F)F)[*:1]
CCc1nc2sc(C(=O)NCC(=O)[O-])c(N)c2c(C(F)(F)F)c1C O=C([O-])C[*:1] CCc1nc2sc(C(=O)N[*:1])c(N)c2c(c1C)C(F)(F)F
CCc1nc2sc(C(=O)NCC(=O)[O-])c(N)c2c(C(F)(F)F)c1C FC(F)(F)[*:1] CCc1nc2sc(C(=O)NCC(=O)[O-])c(N)c2c(c1C)[*:1]
CCc1nc2sc(C(=O)NCC(=O)[O-])c(N)c2c(C(F)(F)F)c1C O=C([O-])[*:1] CCc1nc2sc(C(=O)NC[*:1])c(N)c2c(c1C)C(F)(F)F
CCOC(=O)c1c(NC(=O)N(C)[C@H](C)C2CC2)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)N(C)[C@H](C)C2CC2)c(c1C)[*:1]
CCOC(=O)c1c(NC(=O)N(C)[C@H](C)C2CC2)sc(C)c1C C1CC1[*:1] CCOC(=O)c1c(NC(=O)N(C)[C@H](C)[*:1])sc(C)c1C
CSCCCCNC(=O)N1CCC[NH+](C(C)C)CC1 CSCC[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)NCC[*:1]
CSCCCCNC(=O)N1CCC[NH+](C(C)C)CC1 CSC[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)NCCC[*:1]
CSCCCCNC(=O)N1CCC[NH+](C(C)C)CC1 CSCCC[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)NC[*:1]
CSCCCCNC(=O)N1CCC[NH+](C(C)C)CC1 CSCCCC[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)N[*:1]
CSCCCCNC(=O)N1CCC[NH+](C(C)C)CC1 CC(C)[*:1] CSCCCCNC(=O)N1CCC[NH+](CC1)[*:1]
CN1N=C(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CCC1=O c1ccc(cc1)[*:1] CN1N=C(CCC1=O)C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
O=C(NC[C@H]1CC[C@@H](C(=O)[O-])O1)C1CCOCC1 C1CC(CCO1)[*:1] O=C([O-])[C@@H]1CC[C@H](CNC(=O)[*:1])O1
O=C(NC[C@H]1CC[C@@H](C(=O)[O-])O1)C1CCOCC1 O=C([O-])[*:1] O=C(NC[C@H]1CC[C@@H](O1)[*:1])C1CCOCC1
Cc1cccc(C)c1-n1nnnc1SCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 c1cc2CCCCc2cc1[*:1] Cc1cccc(C)c1-n1nnnc1SCC(=O)N[C@H](C)[*:1]
Cc1cccc(C)c1-n1nnnc1SCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 Cc1cccc(C)c1[*:1] C[C@@H](NC(=O)CSc1nnnn1[*:1])c1ccc2CCCCc2c1
C[C@@H](NC(=O)COc1cc(F)ccc1F)c1cccc(NC(=O)c2ccccc2)c1 O=C(N[*:1])c1ccccc1 C[C@@H](NC(=O)COc1cc(F)ccc1F)c1cccc(c1)[*:1]
C[C@@H](NC(=O)COc1cc(F)ccc1F)c1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)COc1cc(F)ccc1F)c1cccc(c1)NC(=O)[*:1]
C[C@@H](NC(=O)COc1cc(F)ccc1F)c1cccc(NC(=O)c2ccccc2)c1 Fc1ccc(F)c(c1)[*:1] C[C@@H](NC(=O)CO[*:1])c1cccc(c1)NC(=O)c1ccccc1
C[C@@H](NC(=O)COc1cc(F)ccc1F)c1cccc(NC(=O)c2ccccc2)c1 Fc1ccc(F)c(c1)OC[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)NC(=O)c1ccccc1
C[C@@H](NC(=O)COc1cc(F)ccc1F)c1cccc(NC(=O)c2ccccc2)c1 Fc1ccc(F)c(c1)O[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(c1)NC(=O)c1ccccc1
CC(=O)NCCC1CCN(c2nc3nonc3nc2N2CCCCCC2)CC1 CC(=O)NC[*:1] C1CCCN(CC1)c1nc2nonc2nc1N1CCC(CC1)C[*:1]
CC(=O)NCCC1CCN(c2nc3nonc3nc2N2CCCCCC2)CC1 CC(=O)NCC[*:1] C1CCCN(CC1)c1nc2nonc2nc1N1CCC(CC1)[*:1]
CC(=O)NCCC1CCN(c2nc3nonc3nc2N2CCCCCC2)CC1 C1CCCN(CC1)[*:1] CC(=O)NCCC1CCN(CC1)c1nc2nonc2nc1[*:1]
CC(=O)NCCC1CCN(c2nc3nonc3nc2N2CCCCCC2)CC1 CC(=O)N[*:1] C1CCCN(CC1)c1nc2nonc2nc1N1CCC(CC1)CC[*:1]
C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccccc4Cl)c(=O)c23)C1 Clc1ccccc1[*:1] C[C@H]1CCc2c(C1)sc1ncn(c(=O)c21)[C@H](C)C(=O)NN=C[*:1]
Cc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)NC2=NC(SCc3ccccc3Cl)=NC(=O)[C@@H]21 Clc1ccccc1C[*:1] Cc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)S[*:1]
Cc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)NC2=NC(SCc3ccccc3Cl)=NC(=O)[C@@H]21 Cc1ccc(F)cc1[*:1] O=C1C[C@@H](C(=O)N[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1ccccc1Cl
Cc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)NC2=NC(SCc3ccccc3Cl)=NC(=O)[C@@H]21 Clc1ccccc1[*:1] Cc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)SC[*:1]
C[NH+](C)CCSc1ccc(NC(=O)c2cccc(F)c2)nn1 Fc1cccc(c1)[*:1] C[NH+](C)CCSc1ccc(nn1)NC(=O)[*:1]
CC1(C)CCC[C@@H]1[NH2+]C[C@@H](O)c1ccco1 c1coc(c1)[*:1] CC1(C)CCC[C@@H]1[NH2+]C[C@@H](O)[*:1]
Cc1cc(C)n(Cc2cccc(NC(=O)CNC(=O)c3cc(C)n(C)n3)c2)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(nn1C)C(=O)NCC(=O)Nc1cccc(c1)C[*:1]
Cc1cc(C)n(Cc2cccc(NC(=O)CNC(=O)c3cc(C)n(C)n3)c2)n1 Cc1cc(nn1C)[*:1] Cc1cc(C)n(Cc2cccc(c2)NC(=O)CNC(=O)[*:1])n1
Cc1cc(C)n(Cc2cccc(NC(=O)CNC(=O)c3cc(C)n(C)n3)c2)n1 Cc1cc(C)n(C[*:1])n1 Cc1cc(nn1C)C(=O)NCC(=O)Nc1cccc(c1)[*:1]
Cc1csc(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)n1 Cc1csc(n1)S[*:1] C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[*:1]
Cc1csc(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)S[C@H](C)C(=O)NC(c1ccccc1)[*:1]
Cc1csc(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)n1 Cc1csc(n1)[*:1] C[C@@H](S[*:1])C(=O)NC(c1ccccc1)c1ccccc1
Cc1cnc(N2CCO[C@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 O=C([O-])C[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N1CCO[C@H](C1)[*:1]
Cc1cnc(N2CCO[C@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 O=C([O-])[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N1CCO[C@@H](C1)C[*:1]
Cc1cnc(N2CCO[C@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(c(c1)[*:1])N1CCO[C@H](CC(=O)[O-])C1
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2)C1 Fc1cc(Cl)ccc1[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
O=C(CCc1ccccc1)NC[C@@H](c1cccc2ccccc12)N1CCOCC1 C1CN(CCO1)[*:1] O=C(CCc1ccccc1)NC[C@@H](c1cccc2ccccc12)[*:1]
O=C(CCc1ccccc1)NC[C@@H](c1cccc2ccccc12)N1CCOCC1 c1ccc(cc1)C[*:1] O=C(C[*:1])NC[C@@H](c1cccc2ccccc12)N1CCOCC1
O=C(CCc1ccccc1)NC[C@@H](c1cccc2ccccc12)N1CCOCC1 c1ccc(cc1)CC[*:1] O=C(NC[C@@H](c1cccc2ccccc12)N1CCOCC1)[*:1]
O=C(CCc1ccccc1)NC[C@@H](c1cccc2ccccc12)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CC[*:1])NC[C@@H](c1cccc2ccccc12)N1CCOCC1
C[C@H](c1cccnc1)N(C)C(=O)CNC(=O)c1cc2ccccc2[nH]1 c1cncc(c1)[*:1] C[C@H](N(C)C(=O)CNC(=O)c1cc2ccccc2[nH]1)[*:1]
COc1cc(OCC(=O)N(C)c2cc(C)ccc2C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])OCC(=O)N(C)c1cc(C)ccc1C
COc1cc(OCC(=O)N(C)c2cc(C)ccc2C)ccc1[N+](=O)[O-] Cc1ccc(C)c(c1)[*:1] COc1cc(ccc1[N+](=O)[O-])OCC(=O)N(C)[*:1]
Cc1cc2nc(C)c(CCC(=O)Nc3ccccc3C(F)(F)F)c(C)n2n1 FC(F)(F)[*:1] Cc1cc2nc(C)c(CCC(=O)Nc3ccccc3[*:1])c(C)n2n1
Cc1ccoc1C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 Cc1ccoc1[*:1] O=C(N1CCC[C@@H]1Cc1cccc(F)c1)[*:1]
Cc1ccoc1C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccoc1C(=O)N1CCC[C@@H]1C[*:1]
CC[C@@H]1CC[C@H]([C@@H](C)C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H]1CC[C@@H](C1)[C@@H](C)[*:1]
Cc1sc(NC(=O)CCc2ccccc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 c1ccc(cc1)C[*:1] Cc1sc(nc1-c1ccc2OCC(=O)N(C)c2c1)NC(=O)C[*:1]
Cc1sc(NC(=O)CCc2ccccc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 c1ccc(cc1)CC[*:1] Cc1sc(nc1-c1ccc2OCC(=O)N(C)c2c1)NC(=O)[*:1]
Cc1sc(NC(=O)CCc2ccccc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 c1ccc(cc1)[*:1] Cc1sc(nc1-c1ccc2OCC(=O)N(C)c2c1)NC(=O)CC[*:1]
CCC[C@H]1C(=O)NC(=O)C[C@@]12CCC[C@@H]2C CCC[*:1] C[C@H]1CCC[C@@]12CC(=O)NC(=O)[C@@H]2[*:1]
COCCCOC(=O)c1cnn(-c2cccc(Cl)c2)c1 COC[*:1] O=C(OCC[*:1])c1cnn(c1)-c1cccc(Cl)c1
COCCCOC(=O)c1cnn(-c2cccc(Cl)c2)c1 COCCC[*:1] O=C(O[*:1])c1cnn(c1)-c1cccc(Cl)c1
COCCCOC(=O)c1cnn(-c2cccc(Cl)c2)c1 COCC[*:1] O=C(OC[*:1])c1cnn(c1)-c1cccc(Cl)c1
Cc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)NCCC(=O)N[*:1]
Cc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)sc2c1 C1CC1[*:1] Cc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)[*:1])sc2c1
CC[C@H](NC(=O)c1cc(C)ccc1F)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@H](NC(=O)c1cc(C)ccc1F)[*:1]
C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1 C[C@H](NC(=O)[*:1])c1ccccc1 O=C(Nc1ccccc1[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)c(c1)[N+](=O)[O-]
C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1 O=[N+]([O-])[*:1] C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(F)c(c1)[*:1])c1ccccc1
C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(F)c(c1)[N+](=O)[O-]
C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1 O=[N+]([O-])c1cc(ccc1F)[*:1] C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1
C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(F)c(c1)[N+](=O)[O-])[*:1]
Cc1cc(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2ncccc2c1 O=C(N1CCCC1)[*:1] Cc1cc(NC(=O)N2CCN(CC2)C[*:1])c2ncccc2c1
Cc1cc(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2ncccc2c1 O=C(C[*:1])N1CCCC1 Cc1cc(NC(=O)N2CCN(CC2)[*:1])c2ncccc2c1
O=C(NNc1ccc(-c2ccccc2)nn1)c1cc2ccccc2s1 c1ccc(cc1)[*:1] O=C(NNc1ccc(nn1)[*:1])c1cc2ccccc2s1
Cc1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1
Cc1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nc1-c1ccc(F)cc1 O=S(=O)(N1CCCCC1)[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)c1cccc(c1)[*:1]
O=C(Nc1ccccc1F)N(CCO)[C@@H]1CCc2ccccc21 Fc1ccccc1[*:1] O=C(N[*:1])N(CCO)[C@@H]1CCc2ccccc21
O=C(Nc1ccccc1F)N(CCO)[C@@H]1CCc2ccccc21 OCC[*:1] O=C(Nc1ccccc1F)N([C@@H]1CCc2ccccc21)[*:1]
COc1cc(/C=C/C(=O)O[C@H]2CCCc3ccccc32)ccc1OCC#N N#CCO[*:1] COc1cc(/C=C/C(=O)O[C@H]2CCCc3ccccc32)ccc1[*:1]
COc1cc(/C=C/C(=O)O[C@H]2CCCc3ccccc32)ccc1OCC#N N#CC[*:1] COc1cc(/C=C/C(=O)O[C@H]2CCCc3ccccc32)ccc1O[*:1]
CC(C)OC[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 CC(C)OC[*:1] CC1(C)O[C@H]2[C@@H](O1)[C@H](O[C@H]1OC(C)(C)O[C@@H]12)[*:1]
CC(C)OC[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 CC(C)[*:1] CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2CO[*:1]
CC(C)OC[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 CC(C)O[*:1] CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2C[*:1]
CC(C)NC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)NC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)C=C[*:1]
CC(C)NC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 Clc1ccc(C=C[*:1])cc1 CC(C)NC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)[*:1]
CC(C)NC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 CC(C)[*:1] O=C(NNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)N[*:1]
COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)N(C)C)c1C COC(=O)[*:1] Cc1c(sc(NC(=O)c2ccc(Cl)cc2)c1[*:1])C(=O)N(C)C
COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)N(C)C)c1C Clc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)N(C)C)c1C
COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)N(C)C)c1C CN(C)C(=O)[*:1] COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(c1C)[*:1]
COc1ccc(-n2c(SCC(=O)Nc3cc(F)ccc3F)nnc2-c2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)Nc1cc(F)ccc1F
COc1ccc(-n2c(SCC(=O)Nc3cc(F)ccc3F)nnc2-c2ccncc2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])Nc1cc(F)ccc1F
COc1ccc(-n2c(SCC(=O)Nc3cc(F)ccc3F)nnc2-c2ccncc2)cc1 Fc1ccc(F)c(c1)[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
CCCNC(=O)CN(C)C(=O)CN1CC[S@](=O)C(C)(C)C1 CCCNC(=O)C[*:1] CN(C(=O)CN1CC[S@](=O)C(C)(C)C1)[*:1]
CCCNC(=O)CN(C)C(=O)CN1CC[S@](=O)C(C)(C)C1 CCCNC(=O)[*:1] CN(C[*:1])C(=O)CN1CC[S@](=O)C(C)(C)C1
CCCNC(=O)CN(C)C(=O)CN1CC[S@](=O)C(C)(C)C1 CCC[*:1] CN(CC(=O)N[*:1])C(=O)CN1CC[S@](=O)C(C)(C)C1
Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]Cc1ncn(C)n1 Cn1cnc(n1)[*:1] Cc1nc(sc1[C@@H](C)[NH2+]C[*:1])-c1ccccc1F
Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]Cc1ncn(C)n1 Fc1ccccc1[*:1] Cc1nc(sc1[C@@H](C)[NH2+]Cc1ncn(C)n1)[*:1]
COc1ccc(C(=O)NC(=S)Nc2cccc3ccccc23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)NC(=S)Nc1cccc2ccccc12
C=CCn1c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O C=CC[*:1] CCN(C(=O)CSc1nc2ccccc2c(=O)n1[*:1])[C@H]1CCS(=O)(=O)C1
CCn1ccnc1S(=O)(=O)Cc1cc([N+](=O)[O-])ccc1OC O=[N+]([O-])[*:1] CCn1ccnc1S(=O)(=O)Cc1cc(ccc1OC)[*:1]
CCn1ccnc1S(=O)(=O)Cc1cc([N+](=O)[O-])ccc1OC CCn1ccnc1[*:1] COc1ccc(cc1CS(=O)(=O)[*:1])[N+](=O)[O-]
CCC(CC)(CC)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 CCC(CC)(CC)[*:1] C[NH+]1CCN(CC1)Cc1cccc(c1)C(=O)N[*:1]
CCn1nc(C)cc1C(=O)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] CCn1nc(C)cc1C(=O)Nc1cccc(c1)[*:1]
CCn1nc(C)cc1C(=O)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] CCn1nc(C)cc1C(=O)Nc1cccc(c1)C[*:1]
CCCC[C@H](CC)C[C@H](O)c1cnn(C)c1C CCC[*:1] CC[C@H](C[C@H](O)c1cnn(C)c1C)C[*:1]
CCCC[C@H](CC)C[C@H](O)c1cnn(C)c1C CCCC[*:1] CC[C@H](C[C@H](O)c1cnn(C)c1C)[*:1]
CCN(C=O)[C@](C)(C(=O)[O-])c1cc(F)c(C)cc1F CCN(C=O)[*:1] Cc1cc(F)c(cc1F)[C@](C)(C(=O)[O-])[*:1]
CCN(C=O)[C@](C)(C(=O)[O-])c1cc(F)c(C)cc1F O=C([O-])[*:1] CCN(C=O)[C@](C)(c1cc(F)c(C)cc1F)[*:1]
CC(C)c1csc(N/C=C2/C(=O)NC(=O)c3ccccc32)n1 CC(C)[*:1] O=C1NC(=O)c2ccccc2/C1=C\Nc1nc(cs1)[*:1]
CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1 CCOC(=O)[*:1] O=C1C[C@H](C(=O)Nc2ccc(cc2)[*:1])c2c(nc([nH]c2=O)N2CCCCC2)N1
CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1 C1CCN(CC1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cnc(s1)[*:1]
Cn1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(Cl)cc3s2)n1 C1CO[C@@H](C1)C[*:1] Cn1ccc(n1)C(=O)N(c1nc2ccc(Cl)cc2s1)[*:1]
Cn1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(Cl)cc3s2)n1 C1CO[C@@H](C1)[*:1] Cn1ccc(n1)C(=O)N(C[*:1])c1nc2ccc(Cl)cc2s1
Cn1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(Cl)cc3s2)n1 Cn1ccc(n1)[*:1] O=C(N(C[C@@H]1CCCO1)c1nc2ccc(Cl)cc2s1)[*:1]
Cc1ccc(C[C@@H]2CCCN2C(=O)c2cnc([C@H]3CCCO3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cnc(s1)[C@H]1CCCO1)N1CCC[C@H]1C[*:1]
Cc1ccc(C[C@@H]2CCCN2C(=O)c2cnc([C@H]3CCCO3)s2)cc1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1)C[C@@H]1CCCN1C(=O)c1cnc(s1)[*:1]
Cc1ccc(C[C@@H]2CCCN2C(=O)c2cnc([C@H]3CCCO3)s2)cc1 Cc1ccc(cc1)C[*:1] O=C(c1cnc(s1)[C@H]1CCCO1)N1CCC[C@H]1[*:1]
O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(O)=[NH+][C@]1([O-])C(F)(F)F c1ccc(cc1)[*:1] O=C([C@H]1[C@H](NC(O)=[NH+][C@]1([O-])C(F)(F)F)c1ccc(o1)-c1ccccc1[N+](=O)[O-])[*:1]
O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(O)=[NH+][C@]1([O-])C(F)(F)F O=C(c1ccccc1)[*:1] O=[N+]([O-])c1ccccc1-c1ccc(o1)[C@H]1NC(O)=[NH+][C@@]([O-])([C@H]1[*:1])C(F)(F)F
O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(O)=[NH+][C@]1([O-])C(F)(F)F O=[N+]([O-])[*:1] O=C(c1ccccc1)[C@H]1[C@H](NC(O)=[NH+][C@]1([O-])C(F)(F)F)c1ccc(o1)-c1ccccc1[*:1]
O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(O)=[NH+][C@]1([O-])C(F)(F)F FC(F)(F)[*:1] O=C(c1ccccc1)[C@H]1[C@H](NC(O)=[NH+][C@@]1([O-])[*:1])c1ccc(o1)-c1ccccc1[N+](=O)[O-]
O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(O)=[NH+][C@]1([O-])C(F)(F)F O=[N+]([O-])c1ccccc1[*:1] O=C(c1ccccc1)[C@H]1[C@H](NC(O)=[NH+][C@]1([O-])C(F)(F)F)c1ccc(o1)[*:1]
O=C1NC(=O)[C@H](CC(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)N1 Fc1cccc(c1)[*:1] O=C1NC(=O)[C@H](CC(=O)N2CCc3onc(c3C2)[*:1])N1
O=C1C(=O)N(C/C(Cl)=C/Cl)c2ccc(F)cc21 Cl/C=C(\Cl)[*:1] O=C1C(=O)N(C[*:1])c2ccc(F)cc21
O=C1C(=O)N(C/C(Cl)=C/Cl)c2ccc(F)cc21 Cl/C=C(\Cl)C[*:1] O=C1C(=O)N(c2ccc(F)cc21)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccccc2F)cc1 CN(C)S(=O)(=O)[*:1] O=C(OCc1ccccc1F)c1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccccc2F)cc1 Fc1ccccc1[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)OC[*:1]
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1Cl O=S(=O)(N1CCOCC1)[*:1] C/C(=N\NC(=O)c1cccc(c1)[*:1])c1ccc(Cl)cc1Cl
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)[*:1]
O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccsc1)Cc1ccccn1 c1cc(cs1)C[*:1] O=S(=O)(c1cccc(c1)C(F)(F)F)N(Cc1ccccn1)[*:1]
O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccsc1)Cc1ccccn1 c1cc(cs1)[*:1] O=S(=O)(c1cccc(c1)C(F)(F)F)N(Cc1ccccn1)C[*:1]
O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccsc1)Cc1ccccn1 FC(F)(F)[*:1] O=S(=O)(c1cccc(c1)[*:1])N(Cc1ccsc1)Cc1ccccn1
O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccsc1)Cc1ccccn1 c1ccc(C[*:1])nc1 O=S(=O)(c1cccc(c1)C(F)(F)F)N(Cc1ccsc1)[*:1]
O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccsc1)Cc1ccccn1 c1ccc(nc1)[*:1] O=S(=O)(c1cccc(c1)C(F)(F)F)N(Cc1ccsc1)C[*:1]
Cc1ccc(COc2ccccc2[C@@H]2C=C(C(=O)N/N=C/C3=c4ccccc4=[NH+]C3)N=[NH+]2)cc1 Cc1ccc(cc1)[*:1] O=C(N/N=C/C1C[NH+]=c2ccccc2=1)C1=C[C@H]([NH+]=N1)c1ccccc1OC[*:1]
Cc1ccc(COc2ccccc2[C@@H]2C=C(C(=O)N/N=C/C3=c4ccccc4=[NH+]C3)N=[NH+]2)cc1 Cc1ccc(cc1)C[*:1] O=C(N/N=C/C1C[NH+]=c2ccccc2=1)C1=C[C@H]([NH+]=N1)c1ccccc1O[*:1]
Cc1ccc(COc2ccccc2[C@@H]2C=C(C(=O)N/N=C/C3=c4ccccc4=[NH+]C3)N=[NH+]2)cc1 Cc1ccc(cc1)CO[*:1] O=C(N/N=C/C1C[NH+]=c2ccccc2=1)C1=C[C@H]([NH+]=N1)c1ccccc1[*:1]
C[C@H](NC(=O)N1CC2(CC2)c2ccccc21)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H](NC(=O)N1CC2(CC2)c2ccccc21)[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1 CCN(CC)C(=O)C[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)Nc1ccc(cc1)[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1 CCN(CC)C(=O)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)Nc1ccc(cc1)C[*:1]
COC(=O)c1c(CC(=O)Nc2ccccn2)[nH]c(C(C)=O)c1C COC(=O)[*:1] CC(=O)c1[nH]c(CC(=O)Nc2ccccn2)c(c1C)[*:1]
COC(=O)c1c(CC(=O)Nc2ccccn2)[nH]c(C(C)=O)c1C CC(=O)[*:1] COC(=O)c1c(CC(=O)Nc2ccccn2)[nH]c(c1C)[*:1]
COC(=O)c1c(CC(=O)Nc2ccccn2)[nH]c(C(C)=O)c1C c1ccc(nc1)[*:1] COC(=O)c1c(CC(=O)N[*:1])[nH]c(C(C)=O)c1C
CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1 CCO[*:1] O=C(NNC(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1])c1ccc(F)cc1
CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NNC(=O)[*:1]
CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(NNC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccc(F)cc1
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)Nc3ccc(-c4ccno4)cc3)cc21 c1cc(on1)[*:1] CC(=O)N1C[C@H](C)Sc2ccc(cc21)S(=O)(=O)Nc1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccccc1CNC(=O)C[C@H]1CCCO1 CN(C)S(=O)(=O)[*:1] O=C(C[C@H]1CCCO1)NCc1ccccc1[*:1]
CN(C)S(=O)(=O)c1ccccc1CNC(=O)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CN(C)S(=O)(=O)c1ccccc1CNC(=O)C[*:1]
CN(C)S(=O)(=O)c1ccccc1CNC(=O)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CN(C)S(=O)(=O)c1ccccc1CNC(=O)[*:1]
COc1ccc(C(=O)Oc2ccccc2C(C)=O)cc1Br CC(=O)[*:1] COc1ccc(cc1Br)C(=O)Oc1ccccc1[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 c1csc(c1)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)C=C[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 CC(C)NS(=O)(=O)[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 CC(C)[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 C(=C[*:1])c1cccs1 CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](C(=O)[O-])CO2 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CO2)[*:1]
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](C(=O)[O-])CO2 CC(C)(C)[*:1] O=C([O-])[C@H]1COC2(CCN(CC2)C(=O)O[*:1])C1
[NH3+][C@H](Cc1ccccc1)c1nc(-c2cc([N+](=O)[O-])ccc2O)n[nH]1 c1ccc(cc1)C[*:1] [NH3+][C@H](c1nc(n[nH]1)-c1cc(ccc1O)[N+](=O)[O-])[*:1]
[NH3+][C@H](Cc1ccccc1)c1nc(-c2cc([N+](=O)[O-])ccc2O)n[nH]1 O=[N+]([O-])[*:1] [NH3+][C@H](Cc1ccccc1)c1nc(n[nH]1)-c1cc(ccc1O)[*:1]
[NH3+][C@H](Cc1ccccc1)c1nc(-c2cc([N+](=O)[O-])ccc2O)n[nH]1 c1ccc(cc1)[*:1] [NH3+][C@H](C[*:1])c1nc(n[nH]1)-c1cc(ccc1O)[N+](=O)[O-]
CN1N=C(CC(=O)[O-])CC1=O O=C([O-])[*:1] CN1N=C(CC1=O)C[*:1]
COc1cccc([C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
COc1cccc([C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+]2CCCC2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)[C@@H](CNC(=O)c1ccc(C)c(c1)[*:1])[NH+]1CCCC1
O=C(Nc1cc(Cl)cc(Cl)c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)N1CCO[C@@H](C1)[*:1]
CC[C@H](C)N(C(=O)Cc1ccc2c(c1)OCO2)C1CCCC1 C1CCC(C1)[*:1] CC[C@H](C)N(C(=O)Cc1ccc2OCOc2c1)[*:1]
CC[C@H](C)N(C(=O)Cc1ccc2c(c1)OCO2)C1CCCC1 CC[C@H](C)[*:1] O=C(Cc1ccc2OCOc2c1)N(C1CCCC1)[*:1]
C[C@H]([NH2+][C@H](CO)c1ccc(Cl)c(F)c1)c1ccc(-n2ccnc2)cc1 Fc1cc(ccc1Cl)[*:1] C[C@H]([NH2+][C@H](CO)[*:1])c1ccc(cc1)-n1ccnc1
C[C@H]([NH2+][C@H](CO)c1ccc(Cl)c(F)c1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H]([NH2+][C@H](CO)c1ccc(Cl)c(F)c1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C2(C(=O)N3C[C@@H](C)[C@](O)(C4CC4)C3)CCCC2)cc1 C1CC1[*:1] CC(C)Oc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@@H](C)[C@](O)(C1)[*:1]
CC(C)Oc1ccc(C2(C(=O)N3C[C@@H](C)[C@](O)(C4CC4)C3)CCCC2)cc1 CC(C)O[*:1] C[C@@H]1CN(C[C@@]1(O)C1CC1)C(=O)C1(CCCC1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C2(C(=O)N3C[C@@H](C)[C@](O)(C4CC4)C3)CCCC2)cc1 CC(C)[*:1] C[C@@H]1CN(C[C@@]1(O)C1CC1)C(=O)C1(CCCC1)c1ccc(cc1)O[*:1]
CCCc1nc(COc2cccc3cccnc23)no1 CCC[*:1] c1cnc2c(cccc2c1)OCc1noc(n1)[*:1]
c1nc(NC2CCCC2)c2nc[nH]c2n1 C1CCC(C1)[*:1] c1nc(N[*:1])c2nc[nH]c2n1
N#CCC(=O)NNC(=O)c1ccccn1 N#CC[*:1] O=C(NNC(=O)[*:1])c1ccccn1
CCC[C@@]1(C)CC[NH2+]C[C@@H]1CC CCC[*:1] CC[C@H]1C[NH2+]CC[C@@]1(C)[*:1]
Cc1sc2nc(C[NH+](C)Cc3ccccc3Cl)nc(N)c2c1C Clc1ccccc1[*:1] Cc1sc2nc(C[NH+](C)C[*:1])nc(N)c2c1C
Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O Brc1ccc(cc1)[*:1] Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O Cc1cc(F)ccc1[*:1] O=C(Cn1c(=O)n(c(=O)c2sccc21)[*:1])Nc1ccc(Br)cc1
Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O O=C(Nc1ccc(Br)cc1)[*:1] Cc1cc(F)ccc1-n1c(=O)c2sccc2n(C[*:1])c1=O
CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccccc1C(F)(F)F)C(=O)NC[*:1]
CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CN(Cc1ccccc1C(F)(F)F)C(=O)N[*:1]
CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1ccccc1 FC(F)(F)[*:1] CN(Cc1ccccc1[*:1])C(=O)NCc1ccccc1
O=C(C[NH+](Cc1cccs1)Cc1cccs1)NC1CCCC1 C1CCC(C1)[*:1] O=C(C[NH+](Cc1cccs1)Cc1cccs1)N[*:1]
O=C(C[NH+](Cc1cccs1)Cc1cccs1)NC1CCCC1 c1csc(c1)C[*:1] O=C(C[NH+](Cc1cccs1)[*:1])NC1CCCC1
O=C(C[NH+](Cc1cccs1)Cc1cccs1)NC1CCCC1 c1csc(c1)[*:1] O=C(C[NH+](Cc1cccs1)C[*:1])NC1CCCC1
C[C@H](C(=O)Nc1ccc(CC#N)cc1)N(C)OCc1ccccc1 N#CC[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])N(C)OCc1ccccc1
C[C@H](C(=O)Nc1ccc(CC#N)cc1)N(C)OCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](C(=O)Nc1ccc(cc1)CC#N)N(C)O[*:1]
C[C@H](C(=O)Nc1ccc(CC#N)cc1)N(C)OCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)CC#N)N(C)OC[*:1]
C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2)n1cccn1 C[C@@H](n1cccn1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc2OCC(=O)Nc2c1
C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N[C@H](C)c1ccc2OCC(=O)Nc2c1)[*:1]
O=C(NCCc1nnc2n1CCC2)N1CCCC[C@H]1CCc1ccccc1 C1Cc2nnc(n2C1)[*:1] O=C(NCC[*:1])N1CCCC[C@H]1CCc1ccccc1
O=C(NCCc1nnc2n1CCC2)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(NCCc1nnc2CCCn21)N1CCCC[C@@H]1[*:1]
O=C(NCCc1nnc2n1CCC2)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCCc1nnc2CCCn21)N1CCCC[C@H]1C[*:1]
O=C(NCCc1nnc2n1CCC2)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1nnc2CCCn21)N1CCCC[C@H]1CC[*:1]
O=C(NCCc1nnc2n1CCC2)N1CCCC[C@H]1CCc1ccccc1 C1Cc2nnc(C[*:1])n2C1 O=C(NC[*:1])N1CCCC[C@H]1CCc1ccccc1
Cc1nnc(C(=O)Nc2cccc(C(=O)NCc3cccc(F)c3)c2)s1 Fc1cccc(c1)[*:1] Cc1nnc(s1)C(=O)Nc1cccc(c1)C(=O)NC[*:1]
Cc1nnc(C(=O)Nc2cccc(C(=O)NCc3cccc(F)c3)c2)s1 Cc1nnc(s1)[*:1] O=C(NCc1cccc(F)c1)c1cccc(c1)NC(=O)[*:1]
Cc1nnc(C(=O)Nc2cccc(C(=O)NCc3cccc(F)c3)c2)s1 Fc1cccc(c1)C[*:1] Cc1nnc(s1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CCc1noc(CC)c1CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] CCc1noc(CC)c1CNC(=O)c1ccc(cc1)[*:1]
CN(Cc1csc2ccccc12)C(=O)Nc1cnn(C)c1 Cn1cc(cn1)[*:1] CN(Cc1csc2ccccc12)C(=O)N[*:1]
CCCCSCCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 CCCCSCC[*:1] N#Cc1ccc(nc1)N1CCN(CC1)C(=O)[*:1]
CCCCSCCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 CCCCS[*:1] N#Cc1ccc(nc1)N1CCN(CC1)C(=O)CC[*:1]
CCCCSCCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 CCCC[*:1] N#Cc1ccc(nc1)N1CCN(CC1)C(=O)CCS[*:1]
CCCCSCCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 CCC[*:1] N#Cc1ccc(nc1)N1CCN(CC1)C(=O)CCSC[*:1]
CCCCSCCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 CCCCSC[*:1] N#Cc1ccc(nc1)N1CCN(CC1)C(=O)C[*:1]
O=C(Nc1cccn2cnnc12)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C(Nc1cccn2cnnc12)[*:1]
C=CCNC(=O)CSc1ccc(-c2sc(-c3cccs3)nc2C)nn1 C=CCNC(=O)C[*:1] Cc1nc(sc1-c1ccc(nn1)S[*:1])-c1cccs1
C=CCNC(=O)CSc1ccc(-c2sc(-c3cccs3)nc2C)nn1 C=CCNC(=O)CS[*:1] Cc1nc(sc1-c1ccc(nn1)[*:1])-c1cccs1
C=CCNC(=O)CSc1ccc(-c2sc(-c3cccs3)nc2C)nn1 c1csc(c1)[*:1] C=CCNC(=O)CSc1ccc(nn1)-c1sc(nc1C)[*:1]
C=CCNC(=O)CSc1ccc(-c2sc(-c3cccs3)nc2C)nn1 C=CCNC(=O)[*:1] Cc1nc(sc1-c1ccc(nn1)SC[*:1])-c1cccs1
C=CCNC(=O)CSc1ccc(-c2sc(-c3cccs3)nc2C)nn1 C=CC[*:1] Cc1nc(sc1-c1ccc(nn1)SCC(=O)N[*:1])-c1cccs1
CC(=O)Nc1ccc2nc(NC(=O)[C@H]3CC=CCC3)sc2c1 CC(=O)N[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])[C@H]1CC=CCC1
O=C(NC1CC1)c1cnc2snnc2c1 C1CC1[*:1] O=C(N[*:1])c1cnc2snnc2c1
C=CCn1c(=O)c(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 c1cc2OCOc2cc1[*:1] C=CCn1c(=O)c(=O)n(CC(=O)NC[*:1])c2ccccc21
C=CCn1c(=O)c(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 C=CC[*:1] O=C(Cn1c(=O)c(=O)n(c2ccccc21)[*:1])NCc1ccc2OCOc2c1
CCC[NH2+]Cc1ccc(-c2cc(C)ccc2F)s1 CCC[*:1] Cc1ccc(F)c(c1)-c1ccc(C[NH2+][*:1])s1
CN(Cc1cc(Br)cs1)C(=O)C[NH+](CCO)C1CC1 OCC[*:1] CN(Cc1cc(Br)cs1)C(=O)C[NH+](C1CC1)[*:1]
CN(Cc1cc(Br)cs1)C(=O)C[NH+](CCO)C1CC1 Brc1csc(c1)[*:1] CN(C[*:1])C(=O)C[NH+](CCO)C1CC1
CN(Cc1cc(Br)cs1)C(=O)C[NH+](CCO)C1CC1 C1CC1[*:1] CN(Cc1cc(Br)cs1)C(=O)C[NH+](CCO)[*:1]
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CC1)C(=O)[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)Cc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)Cc1ccc(cc1)[*:1]
Cc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]2C)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)N1CCCC[C@@H]1C)[*:1]
Cc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]2C)N2CCOCC2)o1 Cc1ccc(o1)[*:1] C[C@H]1CCCCN1C(=O)NC[C@@H](N1CCOCC1)[*:1]
COc1ccccc1Oc1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1 CC(=O)c1ccc(s1)[*:1] COc1ccccc1Oc1ccc(cc1)NC(=O)[*:1]
COc1ccccc1Oc1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1 CC(=O)[*:1] COc1ccccc1Oc1ccc(cc1)NC(=O)c1ccc(s1)[*:1]
COc1ccccc1Oc1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1 COc1ccccc1[*:1] CC(=O)c1ccc(s1)C(=O)Nc1ccc(cc1)O[*:1]
COC(=O)c1cc(CNc2nc(OC)ncc2Cl)oc1C COC(=O)[*:1] COc1ncc(Cl)c(n1)NCc1cc(c(C)o1)[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)NCc1cscn1 c1nc(cs1)C[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)NCc1cscn1 c1nc(cs1)[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)NC[*:1]
Cc1c(Cl)cccc1NC(=O)C[S@](=O)Cc1cccc(C(F)(F)F)c1 Cc1c(Cl)cccc1[*:1] O=C(C[S@](=O)Cc1cccc(c1)C(F)(F)F)N[*:1]
Cc1c(Cl)cccc1NC(=O)C[S@](=O)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1c(Cl)cccc1NC(=O)C[S@](=O)Cc1cccc(c1)[*:1]
COC[C@@H]1CN(C(=O)NCCN(C)c2ccccc2)CCO1 COC[*:1] CN(CCNC(=O)N1CCO[C@@H](C1)[*:1])c1ccccc1
COC[C@@H]1CN(C(=O)NCCN(C)c2ccccc2)CCO1 c1ccc(cc1)[*:1] COC[C@@H]1CN(CCO1)C(=O)NCCN(C)[*:1]
CCCCn1nnnc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O CCC[*:1] O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1nnnn1C[*:1]
CCCCn1nnnc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O CCCC[*:1] O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1nnnn1[*:1]
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C c1cnc(nc1)O[*:1] Cc1cc(ccc1NC(=O)c1c(C)cc(C)c(c1C)[N+](=O)[O-])[*:1]
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)c1c(C)cc(C)c(c1C)[*:1])Oc1ncccn1
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C c1cnc(nc1)[*:1] Cc1cc(ccc1NC(=O)c1c(C)cc(C)c(c1C)[N+](=O)[O-])O[*:1]
O=C([O-])C[C@H]1CN(C(=O)CSc2ccccc2F)CCO1 Fc1ccccc1[*:1] O=C([O-])C[C@H]1CN(CCO1)C(=O)CS[*:1]
O=C([O-])C[C@H]1CN(C(=O)CSc2ccccc2F)CCO1 O=C([O-])C[*:1] O=C(CSc1ccccc1F)N1CCO[C@H](C1)[*:1]
O=C([O-])C[C@H]1CN(C(=O)CSc2ccccc2F)CCO1 O=C([O-])[*:1] O=C(CSc1ccccc1F)N1CCO[C@H](C1)C[*:1]
CN(C)C(=O)Oc1c(Br)cc(Br)c2cccnc12 CN(C)C(=O)O[*:1] Brc1cc(Br)c2cccnc2c1[*:1]
Cc1n[nH]c2ncc(NC(=O)NC[C@@H](O)COc3ccc(F)cc3)cc12 Fc1ccc(cc1)O[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NC[C@@H](O)C[*:1]
Cc1n[nH]c2ncc(NC(=O)NC[C@@H](O)COc3ccc(F)cc3)cc12 Fc1ccc(cc1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NC[C@@H](O)CO[*:1]
Cc1cccc2cc(C[NH+](Cc3cccs3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 c1csc(c1)C[*:1] Cc1cccc2cc(C[NH+](C3(CCCC3)c3nnnn3C3CCCC3)[*:1])c(=O)[nH]c12
Cc1cccc2cc(C[NH+](Cc3cccs3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 C1CCC(C1)n1nnnc1[*:1] Cc1cccc2cc(C[NH+](Cc3cccs3)C3(CCCC3)[*:1])c(=O)[nH]c12
Cc1cccc2cc(C[NH+](Cc3cccs3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 c1csc(c1)[*:1] Cc1cccc2cc(C[NH+](C[*:1])C3(CCCC3)c3nnnn3C3CCCC3)c(=O)[nH]c12
Cc1cccc2cc(C[NH+](Cc3cccs3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 C1CCC(C1)[*:1] Cc1cccc2cc(C[NH+](Cc3cccs3)C3(CCCC3)c3nnnn3[*:1])c(=O)[nH]c12
C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccccc1Br Brc1ccccc1[*:1] C[C@@H](NC(=O)COc1ccc(F)cc1)[*:1]
C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccccc1Br Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CO[*:1])c1ccccc1Br
CCn1c2ccccc2c2nnc3nnc(SCC(=O)Nc4nc(-c5ccccc5)cs4)n3c21 c1ccc(cc1)-c1csc(n1)[*:1] CCn1c2ccccc2c2nnc3nnc(SCC(=O)N[*:1])n3c21
CCn1c2ccccc2c2nnc3nnc(SCC(=O)Nc4nc(-c5ccccc5)cs4)n3c21 c1ccc(cc1)[*:1] CCn1c2ccccc2c2nnc3nnc(SCC(=O)Nc4nc(cs4)[*:1])n3c21
Cn1c(=O)c2ccccc2n2c(COC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)nnc12 CC(C)(C)[*:1] Cn1c(=O)c2ccccc2n2c(COC(=O)c3cccc(c3)NC(=O)O[*:1])nnc12
Cn1c(=O)c2ccccc2n2c(COC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)nnc12 CC(C)(C)OC(=O)N[*:1] Cn1c(=O)c2ccccc2n2c(COC(=O)c3cccc(c3)[*:1])nnc12
CSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2c1cccc(O)c1 Oc1cccc(c1)[*:1] CSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2[*:1]
O=C([O-])[C@]1(CCCCO)CCc2ccccc2C1 OCCC[*:1] O=C([O-])[C@@]1(CCc2ccccc2C1)C[*:1]
O=C([O-])[C@]1(CCCCO)CCc2ccccc2C1 OCCCC[*:1] O=C([O-])[C@@]1(CCc2ccccc2C1)[*:1]
O=C([O-])[C@]1(CCCCO)CCc2ccccc2C1 OCC[*:1] O=C([O-])[C@@]1(CCc2ccccc2C1)CC[*:1]
O=C([O-])[C@]1(CCCCO)CCc2ccccc2C1 O=C([O-])[*:1] OCCCC[C@@]1(CCc2ccccc2C1)[*:1]
C[C@H](O)CCC(=O)Nc1ccc(C#N)cc1Br C[C@H](O)[*:1] N#Cc1ccc(NC(=O)CC[*:1])c(Br)c1
C[C@H](O)CCC(=O)Nc1ccc(C#N)cc1Br C[C@H](O)C[*:1] N#Cc1ccc(NC(=O)C[*:1])c(Br)c1
C[C@H](O)CCC(=O)Nc1ccc(C#N)cc1Br C[C@H](O)CC[*:1] N#Cc1ccc(NC(=O)[*:1])c(Br)c1
N#CCCCN1CCO[C@@H](CC(=O)[O-])C1 N#CC[*:1] O=C([O-])C[C@H]1CN(CCO1)CC[*:1]
N#CCCCN1CCO[C@@H](CC(=O)[O-])C1 N#CCC[*:1] O=C([O-])C[C@H]1CN(CCO1)C[*:1]
N#CCCCN1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])C[*:1] N#CCCCN1CCO[C@@H](C1)[*:1]
N#CCCCN1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])[*:1] N#CCCCN1CCO[C@H](C1)C[*:1]
N#CCCCN1CCO[C@@H](CC(=O)[O-])C1 N#CCCC[*:1] O=C([O-])C[C@H]1CN(CCO1)[*:1]
C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1CCCC1 C1CO[C@H](C1)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1C[*:1])C(=O)N1CCCC1
C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1CCCC1 C[C@H](C(=O)N1CCCC1)[*:1] O=c1c2ccccc2nc(S[*:1])n1C[C@H]1CCCO1
C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)[*:1]
C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1CCCC1 C1CO[C@H](C1)C[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)N1CCCC1
COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)[C@H]2CCCN2[C@@H]1[*:1]
COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(Br)cc2)cc1 COc1ccc(cc1)[*:1] O=C1[C@H]2CCCN2[C@@H](c2ccc(Br)cc2)N1[*:1]
C=CCNC(=O)C(=O)NCC1(c2cccs2)CCCCC1 C=CC[*:1] O=C(NCC1(CCCCC1)c1cccs1)C(=O)N[*:1]
C=CCNC(=O)C(=O)NCC1(c2cccs2)CCCCC1 c1csc(c1)[*:1] C=CCNC(=O)C(=O)NCC1(CCCCC1)[*:1]
C=CCN(C(=O)Cc1csc(C)n1)[C@@]1(C)CCS(=O)(=O)C1 C=CC[*:1] Cc1nc(cs1)CC(=O)N([C@@]1(C)CCS(=O)(=O)C1)[*:1]
C=CCN(C(=O)Cc1csc(C)n1)[C@@]1(C)CCS(=O)(=O)C1 Cc1nc(cs1)[*:1] C=CCN(C(=O)C[*:1])[C@@]1(C)CCS(=O)(=O)C1
C=CCN(C(=O)Cc1csc(C)n1)[C@@]1(C)CCS(=O)(=O)C1 Cc1nc(cs1)C[*:1] C=CCN(C(=O)[*:1])[C@@]1(C)CCS(=O)(=O)C1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@]23C(=O)N(C)c2ccccc23)cc1 COc1ccc(cc1)C(=O)[*:1] CN1C(=O)[C@@]2(C(=C([O-])C(=O)N2CC[NH+](C)C)[*:1])c2ccccc21
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@]23C(=O)N(C)c2ccccc23)cc1 COc1ccc(cc1)[*:1] CN1C(=O)[C@@]2(C(C(=O)[*:1])=C([O-])C(=O)N2CC[NH+](C)C)c2ccccc21
COCC1CCN(C(=O)NCCCSC)CC1 CSCC[*:1] COCC1CCN(CC1)C(=O)NC[*:1]
COCC1CCN(C(=O)NCCCSC)CC1 COC[*:1] CSCCCNC(=O)N1CCC(CC1)[*:1]
COCC1CCN(C(=O)NCCCSC)CC1 CSCCC[*:1] COCC1CCN(CC1)C(=O)N[*:1]
COCC1CCN(C(=O)NCCCSC)CC1 CSC[*:1] COCC1CCN(CC1)C(=O)NCC[*:1]
Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1F Cc1ccc(cc1F)[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1)N[*:1]
Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1F Clc1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CCn1nc(C(F)(F)F)cc1CNc1cc(OC)ccc1OC FC(F)(F)[*:1] CCn1nc(cc1CNc1cc(ccc1OC)OC)[*:1]
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(C(C)=O)CC1)cn2CCC(=O)[O-] CC(=O)N1CCN(CC1)[*:1] COc1ccc2c(c1)c(cn2CCC(=O)[O-])[C@@H](C(=O)[O-])[*:1]
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(C(C)=O)CC1)cn2CCC(=O)[O-] O=C([O-])C[*:1] COc1ccc2c(c1)c(cn2C[*:1])[C@@H](C(=O)[O-])N1CCN(CC1)C(C)=O
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(C(C)=O)CC1)cn2CCC(=O)[O-] O=C([O-])[*:1] COc1ccc2c(c1)c(cn2CC[*:1])[C@@H](C(=O)[O-])N1CCN(CC1)C(C)=O
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(C(C)=O)CC1)cn2CCC(=O)[O-] O=C([O-])[*:1] COc1ccc2c(c1)c(cn2CCC(=O)[O-])[C@@H](N1CCN(CC1)C(C)=O)[*:1]
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(C(C)=O)CC1)cn2CCC(=O)[O-] O=C([O-])CC[*:1] COc1ccc2c(c1)c(cn2[*:1])[C@@H](C(=O)[O-])N1CCN(CC1)C(C)=O
CCn1nc(C(C)C)cc1C(=O)N1CC(c2ccccn2)C1 CC(C)[*:1] CCn1nc(cc1C(=O)N1CC(C1)c1ccccn1)[*:1]
CCn1nc(C(C)C)cc1C(=O)N1CC(c2ccccn2)C1 c1ccc(nc1)[*:1] CCn1nc(cc1C(=O)N1CC(C1)[*:1])C(C)C
C[C@H](NC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(Nc1nc2c(CC[C@H]2C(=O)N[*:1])s1)c1ccc2OCOc2c1
C[C@H](NC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1CCc2sc(nc21)NC(=O)c1ccc2OCOc2c1)[*:1]
C[C@H](NC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21)c1ccccc1 c1cc2OCOc2cc1[*:1] C[C@H](NC(=O)[C@@H]1CCc2sc(nc21)NC(=O)[*:1])c1ccccc1
COc1ccc(CN(C)[C@@H](C)c2sc(C)nc2C)cc1OC(F)F Cc1nc(C)c(s1)[*:1] COc1ccc(cc1OC(F)F)CN(C)[C@@H](C)[*:1]
COc1ccc(CN(C)[C@@H](C)c2sc(C)nc2C)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CN(C)[C@@H](C)c1sc(C)nc1C
COc1ccc(CN(C)[C@@H](C)c2sc(C)nc2C)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CN(C)[C@@H](C)c1sc(C)nc1C
COc1ccc(-c2csc3ncnc(N4CCC[NH+](C)CC4)c23)cc1 COc1ccc(cc1)[*:1] C[NH+]1CCCN(CC1)c1ncnc2scc(c12)[*:1]
COC(=O)COc1cccc(C[NH2+][C@@H]2CCCc3sccc32)c1 COC(=O)[*:1] c1cc(cc(c1)OC[*:1])C[NH2+][C@@H]1CCCc2sccc21
COC(=O)COc1cccc(C[NH2+][C@@H]2CCCc3sccc32)c1 COC(=O)C[*:1] c1cc(cc(c1)O[*:1])C[NH2+][C@@H]1CCCc2sccc21
COC(=O)COc1cccc(C[NH2+][C@@H]2CCCc3sccc32)c1 COC(=O)CO[*:1] c1cc(cc(c1)[*:1])C[NH2+][C@@H]1CCCc2sccc21
CC(C)(C)c1ccc(/C=C/C(=O)NCc2nnc3ccccn23)cc1 CC(C)(C)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NCc1nnc2ccccn12
O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cc(-c2ccco2)[nH]n1 c1ccc2c(c[nH]c2c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cc([nH]n1)-c1ccco1
O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cc(-c2ccco2)[nH]n1 c1coc(c1)[*:1] O=C(Nc1nc(cs1)-c1c[nH]c2ccccc12)c1cc([nH]n1)[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(Cl)c(O)c2)cc1 CC(C)(C)[*:1] O=S(=O)(N[*:1])c1ccc(cc1)-c1ccc(Cl)c(O)c1
O=C(Nc1ccc(F)c(F)c1)c1cccc(NC(=O)c2c[nH]c(-c3n[nH]c4ncccc34)c2)c1 Fc1ccc(cc1F)[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])c1c[nH]c(c1)-c1n[nH]c2ncccc12
O=C(Nc1ccc(F)c(F)c1)c1cccc(NC(=O)c2c[nH]c(-c3n[nH]c4ncccc34)c2)c1 O=C(Nc1ccc(F)c(F)c1)[*:1] O=C(Nc1cccc(c1)[*:1])c1c[nH]c(c1)-c1n[nH]c2ncccc12
CCC[C@H]([NH3+])c1nc([C@@H]2CSCCS2)no1 CCC[C@H]([NH3+])[*:1] C1CS[C@@H](CS1)c1noc(n1)[*:1]
CCC[C@H]([NH3+])c1nc([C@@H]2CSCCS2)no1 CCC[*:1] [NH3+][C@H](c1nc(no1)[C@@H]1CSCCS1)[*:1]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)Cc1cn2ccsc2n1 CC(C)CC[*:1] O=C(Cc1cn2ccsc2n1)N[C@H]1CCCC[C@@H]1O[*:1]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)Cc1cn2ccsc2n1 CC(C)[*:1] O=C(Cc1cn2ccsc2n1)N[C@H]1CCCC[C@@H]1OCC[*:1]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)Cc1cn2ccsc2n1 CC(C)C[*:1] O=C(Cc1cn2ccsc2n1)N[C@H]1CCCC[C@@H]1OC[*:1]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)Cc1cn2ccsc2n1 CC(C)CCO[*:1] O=C(Cc1cn2ccsc2n1)N[C@H]1CCCC[C@@H]1[*:1]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)Cc1cn2ccsc2n1 c1cn2cc(nc2s1)[*:1] CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)C[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1COc2ccccc2O1 Clc1ccc(c(Cl)c1)[*:1] C[C@H](O[*:1])C(=O)NC[C@@H]1COc2ccccc2O1
Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCN(CC1)[*:1])-c1nnc2c3ccccc3c(C)nn12
O=C(c1cnc[nH]c1=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 c1ccc(cc1)[*:1] O=C(c1cnc[nH]c1=O)N1CCC(CC1)c1cc(C[*:1])n[nH]1
O=C(c1cnc[nH]c1=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 O=c1[nH]cncc1[*:1] O=C(N1CCC(CC1)c1cc(Cc2ccccc2)n[nH]1)[*:1]
O=C(c1cnc[nH]c1=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 c1ccc(cc1)C[*:1] O=C(c1cnc[nH]c1=O)N1CCC(CC1)c1cc(n[nH]1)[*:1]
COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccco3)CC2=O)c1 O=C(N[*:1])c1ccco1 COc1cccc(c1)N1C[C@H](CC1=O)C(=O)NCC[*:1]
COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccco3)CC2=O)c1 COc1cccc(c1)[*:1] O=C(NCCNC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccco1
COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccco3)CC2=O)c1 O=C(NC[*:1])c1ccco1 COc1cccc(c1)N1C[C@H](CC1=O)C(=O)NC[*:1]
COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccco3)CC2=O)c1 c1coc(c1)[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)NCCNC(=O)[*:1]
COC(=O)N1CCC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 C1CCC(CC1)[*:1] COC(=O)N1CCC[C@@H](C1)NC(=O)NCCC[NH2+][*:1]
CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)NCCc4ccccc4)c(=O)c23)C1 c1ccc(cc1)C[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc1nnn(CC(=O)NC[*:1])c(=O)c21
CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)NCCc4ccccc4)c(=O)c23)C1 c1ccc(cc1)[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc1nnn(CC(=O)NCC[*:1])c(=O)c21
CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)NCCc4ccccc4)c(=O)c23)C1 CC(C)(C)[*:1] O=C(Cn1nnc2sc3C[C@H](CCc3c2c1=O)[*:1])NCCc1ccccc1
CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)NCCc4ccccc4)c(=O)c23)C1 c1ccc(cc1)CC[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc1nnn(CC(=O)N[*:1])c(=O)c21
COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)c(OC)c1 C1CO[C@@H](C1)C[*:1] COc1ccc(NC(=O)C(=O)N[*:1])c(c1)OC
COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)c(OC)c1 C1CO[C@@H](C1)[*:1] COc1ccc(NC(=O)C(=O)NC[*:1])c(c1)OC
O=C(CCCn1cncn1)N1CCC[C@@H](OCc2cccnc2)C1 c1cncc(c1)C[*:1] O=C(CCCn1cncn1)N1CCC[C@H](C1)O[*:1]
O=C(CCCn1cncn1)N1CCC[C@@H](OCc2cccnc2)C1 c1ncn(CCC[*:1])n1 O=C(N1CCC[C@H](C1)OCc1cccnc1)[*:1]
O=C(CCCn1cncn1)N1CCC[C@@H](OCc2cccnc2)C1 c1ncn(CC[*:1])n1 O=C(C[*:1])N1CCC[C@H](C1)OCc1cccnc1
O=C(CCCn1cncn1)N1CCC[C@@H](OCc2cccnc2)C1 c1cncc(c1)[*:1] O=C(CCCn1cncn1)N1CCC[C@H](C1)OC[*:1]
O=C(CCCn1cncn1)N1CCC[C@@H](OCc2cccnc2)C1 c1ncn(n1)[*:1] O=C(CCC[*:1])N1CCC[C@H](C1)OCc1cccnc1
O=C(CCCn1cncn1)N1CCC[C@@H](OCc2cccnc2)C1 c1cncc(c1)CO[*:1] O=C(CCCn1cncn1)N1CCC[C@@H](C1)[*:1]
O=C(CCCn1cncn1)N1CCC[C@@H](OCc2cccnc2)C1 c1ncn(C[*:1])n1 O=C(CC[*:1])N1CCC[C@H](C1)OCc1cccnc1
Cc1nnc2ccc(N3CCN(Cc4ccccc4N4CCOCC4)CC3)nn12 C1CN(CCO1)[*:1] Cc1nnc2ccc(nn12)N1CCN(CC1)Cc1ccccc1[*:1]
CCC(=O)N1CCN(Cc2cc(C)n(CC(C)C)c2C)CC1 CC(C)C[*:1] CCC(=O)N1CCN(CC1)Cc1cc(C)n(c1C)[*:1]
CCC(=O)N1CCN(Cc2cc(C)n(CC(C)C)c2C)CC1 CC(C)[*:1] CCC(=O)N1CCN(CC1)Cc1cc(C)n(C[*:1])c1C
CN(C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)C1CCC1 Clc1ccccc1[*:1] CN(C(=O)N[C@H]1CCN(C1=O)[*:1])C1CCC1
CN(C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)C1CCC1 C1CC(C1)[*:1] CN(C(=O)N[C@H]1CCN(C1=O)c1ccccc1Cl)[*:1]
CCCn1nnnc1NC(=O)c1ccc(C)cc1Cl CCC[*:1] Cc1ccc(C(=O)Nc2nnnn2[*:1])c(Cl)c1
COCc1nsc(NC[C@@H]2CN3CCCC[C@@H]3CO2)n1 COC[*:1] C1CCN2C[C@@H](CNc3nc(ns3)[*:1])OC[C@H]2C1
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2cc(C)c(C)cc2o1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1cc2cc(C)c(C)cc2o1)[*:1]
C[C@H](O)[C@H](NC(=O)C[NH3+])C(=O)[O-] O=C([O-])[*:1] C[C@H](O)[C@H](NC(=O)C[NH3+])[*:1]
C[C@H](O)[C@H](NC(=O)C[NH3+])C(=O)[O-] C[C@H](O)[*:1] [NH3+]CC(=O)N[C@H](C(=O)[O-])[*:1]
C[C@H](CO)CNC(=O)NCC(C)(C)c1ccncc1 C[C@H](CO)C[*:1] CC(C)(CNC(=O)N[*:1])c1ccncc1
C[C@H](CO)CNC(=O)NCC(C)(C)c1ccncc1 C[C@H](CO)[*:1] CC(C)(CNC(=O)NC[*:1])c1ccncc1
C[C@H](CO)CNC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](CO)CNC(=O)NCC(C)(C)[*:1]
O=C(CCc1c[nH]c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(C[*:1])Nc1cccc(c1)-c1nnc2CCCCCn21
O=C(CCc1c[nH]c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1 C1CCc2nnc(n2CC1)[*:1] O=C(CCc1c[nH]c2ccccc12)Nc1cccc(c1)[*:1]
O=C(CCc1c[nH]c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CC[*:1])Nc1cccc(c1)-c1nnc2CCCCCn21
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 C1CCC(CC1)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)N1CCOCC1)[*:1]
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1 O=C(N1CCOCC1)[*:1] CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)[*:1]
CC(=O)Nc1ccc(C(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC(C)C)c1cccc(c1)[*:1]
CC(=O)Nc1ccc(C(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N[C@@H](C[*:1])c1cccc(c1)C(F)(F)F
CC(=O)Nc1ccc(C(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)cc1 CC(=O)N[*:1] CC(C)C[C@H](NC(=O)c1ccc(cc1)[*:1])c1cccc(c1)C(F)(F)F
CC(=O)Nc1ccc(C(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)cc1 CC(C)C[*:1] CC(=O)Nc1ccc(cc1)C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
COC(C)(C)C[C@@](C)(Nc1cc(C)cc(F)c1)C(=O)[O-] O=C([O-])[*:1] COC(C)(C)C[C@@](C)(Nc1cc(C)cc(F)c1)[*:1]
COC(C)(C)C[C@@](C)(Nc1cc(C)cc(F)c1)C(=O)[O-] COC(C)(C)[*:1] Cc1cc(F)cc(c1)N[C@](C)(C[*:1])C(=O)[O-]
COC(C)(C)C[C@@](C)(Nc1cc(C)cc(F)c1)C(=O)[O-] COC(C)(C)C[*:1] Cc1cc(F)cc(c1)N[C@](C)(C(=O)[O-])[*:1]
CCOc1cc(C)ccc1NCc1noc([C@H]2COc3ccccc3O2)n1 CCO[*:1] Cc1ccc(NCc2noc(n2)[C@H]2COc3ccccc3O2)c(c1)[*:1]
Cc1ccc(NC(=O)C(=O)NC(C)C)c(Br)c1 CC(C)[*:1] Cc1ccc(NC(=O)C(=O)N[*:1])c(Br)c1
Cc1ccc(S/C=C/C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)SC=C[*:1]
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)C(=S)NC1CCCCC1)OCCO3 c1ccc(cc1)[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1CN(C[*:1])C(=S)NC1CCCCC1
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)C(=S)NC1CCCCC1)OCCO3 C1CCC(CC1)[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1CN(Cc1ccccc1)C(=S)N[*:1]
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)C(=S)NC1CCCCC1)OCCO3 c1ccc(cc1)C[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1CN(C(=S)NC1CCCCC1)[*:1]
Cc1ccc(CNc2nc3cccc(C)n3n2)o1 Cc1ccc(o1)[*:1] Cc1cccc2nc(nn12)NC[*:1]
Clc1cccc(CN2CCC[C@H](c3nnc4ccccn34)C2)c1 Clc1cccc(c1)[*:1] c1ccn2c(nnc2c1)[C@H]1CCCN(C1)C[*:1]
O=C([O-])c1cccc(Br)c1O[C@@H]1CCOC2(CCC2)C1 O=C([O-])[*:1] Brc1cccc(c1O[C@@H]1CCOC2(CCC2)C1)[*:1]
CN(C)c1ccc(Sc2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1 CN(C)[*:1] O=C(/C=C/c1ccccc1)Nc1nnc(Sc2ccc(cc2)[*:1])s1
CN(C)c1ccc(Sc2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] CN(C)c1ccc(cc1)Sc1nnc(NC(=O)C=C[*:1])s1
CN(C)c1ccc(Sc2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1 C(=C[*:1])c1ccccc1 CN(C)c1ccc(cc1)Sc1nnc(NC(=O)[*:1])s1
Cc1ccc(C)c(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(CN1C(=O)CC2(CCCCC2)C1=O)N[*:1]
Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCCC(=O)C1 O=[N+]([O-])[*:1] Cc1cc(c(C)cc1O[C@@H]1CCCC(=O)C1)[*:1]
O=C(Nc1nccs1)c1ccccc1NC(=O)C1CC1 O=C(N[*:1])C1CC1 O=C(Nc1nccs1)c1ccccc1[*:1]
O=C(Nc1nccs1)c1ccccc1NC(=O)C1CC1 c1csc(n1)[*:1] O=C(N[*:1])c1ccccc1NC(=O)C1CC1
O=C(Nc1nccs1)c1ccccc1NC(=O)C1CC1 C1CC1[*:1] O=C(Nc1nccs1)c1ccccc1NC(=O)[*:1]
Cc1ccc2cnn(CCC(=O)Nc3ccc(-n4cccn4)cc3)c2c1 c1cnn(c1)[*:1] Cc1ccc2cnn(CCC(=O)Nc3ccc(cc3)[*:1])c2c1
CCN1C(=O)[C@](C)(C(=O)Nc2ccccc2OC)Sc2ccccc21 COc1ccccc1[*:1] CCN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)N[*:1]
CCn1cc(C(=O)Nc2ccccc2N2CCNC(=O)C2)c(=O)c2ccc(C)nc21 O=C1CN(CCN1)[*:1] CCn1cc(C(=O)Nc2ccccc2[*:1])c(=O)c2ccc(C)nc21
CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cccnc1Cl CCC[*:1] C[C@H]([NH2+][C@@H]1C[C@H]1[*:1])c1cccnc1Cl
Cc1ccc(-n2[nH]c(C(=O)N3CCCCCC3)cc2=O)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc(=O)n([nH]1)[*:1])N1CCCCCC1
CCn1cc(Cn2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cn2)cn1 CCn1cc(cn1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1cnn(c1)C[*:1]
CCn1cc(Cn2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cn2)cn1 CCn1cc(cn1)C[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1cnn(c1)[*:1]
Cc1nn(C)cc1C(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 Cc1nn(C)cc1[*:1] O=C(N1CCC(CC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[*:1]
Cc1cccc(CNC(=O)NCCNS(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CNC(=O)NCCNS(=O)(=O)[*:1]
Cc1cccc(CNC(=O)NCCNS(=O)(=O)c2ccccc2)c1 Cc1cccc(c1)C[*:1] O=C(NCCNS(=O)(=O)c1ccccc1)N[*:1]
Cc1cccc(CNC(=O)NCCNS(=O)(=O)c2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(NCCNS(=O)(=O)c1ccccc1)NC[*:1]
CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)OC)ccc1F COC(=O)[*:1] CC[C@@H]1CCCCN1S(=O)(=O)c1cc(ccc1F)[*:1]
Cc1cc(C(=O)NC2CCCC2)ccc1NCc1ncc(C(C)(C)C)o1 O=C(NC1CCCC1)[*:1] Cc1cc(ccc1NCc1ncc(o1)C(C)(C)C)[*:1]
Cc1cc(C(=O)NC2CCCC2)ccc1NCc1ncc(C(C)(C)C)o1 C1CCC(C1)[*:1] Cc1cc(ccc1NCc1ncc(o1)C(C)(C)C)C(=O)N[*:1]
Cc1cc(C(=O)NC2CCCC2)ccc1NCc1ncc(C(C)(C)C)o1 CC(C)(C)[*:1] Cc1cc(ccc1NCc1ncc(o1)[*:1])C(=O)NC1CCCC1
Nc1c(NCCN2CCOCC2)ncnc1NCc1ccco1 c1coc(c1)CN[*:1] Nc1c(ncnc1[*:1])NCCN1CCOCC1
Nc1c(NCCN2CCOCC2)ncnc1NCc1ccco1 C1CN(CCO1)[*:1] Nc1c(ncnc1NCc1ccco1)NCC[*:1]
Nc1c(NCCN2CCOCC2)ncnc1NCc1ccco1 C1CN(CCO1)C[*:1] Nc1c(ncnc1NC[*:1])NCc1ccco1
Nc1c(NCCN2CCOCC2)ncnc1NCc1ccco1 c1coc(c1)C[*:1] Nc1c(ncnc1N[*:1])NCCN1CCOCC1
Nc1c(NCCN2CCOCC2)ncnc1NCc1ccco1 c1coc(c1)[*:1] Nc1c(ncnc1NC[*:1])NCCN1CCOCC1
Cc1cc2nc(N(C[C@H]3CCCO3)C(=O)c3ccc4c(c3)OCCO4)sc2cc1C c1cc2OCCOc2cc1[*:1] Cc1cc2nc(sc2cc1C)N(C[C@H]1CCCO1)C(=O)[*:1]
O=C(CCSc1ccc(F)c(F)c1)Nc1cccc2ncccc12 Fc1ccc(cc1F)[*:1] O=C(CCS[*:1])Nc1cccc2ncccc12
CC(C)Oc1ccc(S(=O)(=O)NC[C@@H](O)c2ccncc2)cc1 CC(C)O[*:1] O=S(=O)(NC[C@@H](O)c1ccncc1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(S(=O)(=O)NC[C@@H](O)c2ccncc2)cc1 c1cc(ccn1)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)NC[C@@H](O)[*:1]
CC(C)Oc1ccc(S(=O)(=O)NC[C@@H](O)c2ccncc2)cc1 CC(C)[*:1] O=S(=O)(NC[C@@H](O)c1ccncc1)c1ccc(cc1)O[*:1]
Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC2CCCCCC2)ccc1F Cc1cc(ccc1F)[*:1] O=C(NC[C@@H]1OCCCN1S(=O)(=O)[*:1])C(=O)NC1CCCCCC1
Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC2CCCCCC2)ccc1F C1CCCC(CC1)[*:1] Cc1cc(ccc1F)S(=O)(=O)N1CCCO[C@H]1CNC(=O)C(=O)N[*:1]
C[C@H](OC(=O)[C@@H]1C[C@@H]1C)C(=O)NC1CC1 C1CC1[*:1] C[C@H](OC(=O)[C@@H]1C[C@@H]1C)C(=O)N[*:1]
C[C@H](OC(=O)[C@@H]1C[C@@H]1C)C(=O)NC1CC1 C[C@H]1C[C@H]1[*:1] C[C@H](OC(=O)[*:1])C(=O)NC1CC1
CN(C)c1ncncc1N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CN(C)c1ncncc1N1CCC(CC1)C(=O)N[*:1]
CN(C)c1ncncc1N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 CN(C)[*:1] O=C(Nc1cccc(Cl)c1)C1CCN(CC1)c1cncnc1[*:1]
Cc1cnc([C@H](C)NC(=O)NCCc2nc(C(C)C)no2)s1 Cc1cnc(s1)[*:1] CC(C)c1noc(CCNC(=O)N[C@@H](C)[*:1])n1
Cc1cnc([C@H](C)NC(=O)NCCc2nc(C(C)C)no2)s1 CC(C)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NCCc1nc(no1)[*:1]
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] C[C@H]1[C@H](CCN1C(=O)Nc1c[nH]nc1[*:1])c1ccccc1
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1c[nH]nc1-c1ccccn1 c1ccc(cc1)[*:1] C[C@H]1[C@@H](CCN1C(=O)Nc1c[nH]nc1-c1ccccn1)[*:1]
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1cccc(F)c1 Fc1ccc(cc1)[*:1] N#CC1=C2SCN(CN2C(=O)C[C@H]1c1cccc(F)c1)[*:1]
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] N#CC1=C2SCN(CN2C(=O)C[C@@H]1[*:1])c1ccc(F)cc1
COc1cccc(Cn2cc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cn2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)Cn1cc(cn1)NC(=O)[C@H]1C[C@H]1[*:1]
COc1cccc(Cn2cc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cn2)c1 COc1cccc(c1)[*:1] O=C(Nc1cnn(c1)C[*:1])[C@H]1C[C@@H]1c1ccccc1
CCOc1ccc(N2C(=O)N=C([O-])/C(=N/Nc3ccc(Br)cc3)C2=O)cc1 CCO[*:1] O=C1N=C([O-])/C(=N/Nc2ccc(Br)cc2)C(=O)N1c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)N=C([O-])/C(=N/Nc3ccc(Br)cc3)C2=O)cc1 CCOc1ccc(cc1)[*:1] O=C1N=C([O-])/C(=N/Nc2ccc(Br)cc2)C(=O)N1[*:1]
CCOc1ccc(N2C(=O)N=C([O-])/C(=N/Nc3ccc(Br)cc3)C2=O)cc1 Brc1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)N=C([O-])/C(=N/N[*:1])C1=O
COc1ccc(Br)cc1CNC[C@H](c1ccc(F)cc1)N(C)C Fc1ccc(cc1)[*:1] COc1ccc(Br)cc1CNC[C@H](N(C)C)[*:1]
COc1ccc(Br)cc1CNC[C@H](c1ccc(F)cc1)N(C)C CN(C)[*:1] COc1ccc(Br)cc1CNC[C@H](c1ccc(F)cc1)[*:1]
Cc1nc(C2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)no1 Cc1nc(no1)[*:1] CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)[*:1]
CC(C)C[C@@H]1NC(=O)C(C)(C)N(Cc2nccs2)C1=O CC(C)C[*:1] CC1(C)C(=O)N[C@H](C(=O)N1Cc1nccs1)[*:1]
CC(C)C[C@@H]1NC(=O)C(C)(C)N(Cc2nccs2)C1=O c1csc(C[*:1])n1 CC(C)C[C@@H]1NC(=O)C(C)(C)N(C1=O)[*:1]
CC(C)C[C@@H]1NC(=O)C(C)(C)N(Cc2nccs2)C1=O c1csc(n1)[*:1] CC(C)C[C@@H]1NC(=O)C(C)(C)N(C[*:1])C1=O
CC(C)C[C@@H]1NC(=O)C(C)(C)N(Cc2nccs2)C1=O CC(C)[*:1] CC1(C)C(=O)N[C@@H](C[*:1])C(=O)N1Cc1nccs1
Cc1cc(-c2ccccc2)nc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1 c1ccc(cc1)[*:1] Cc1cc(nc(n1)SCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[*:1]
Cc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)o1 Cc1ccc(o1)[*:1] O=C1OC(=NC1=C[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
Cc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)o1 O=[N+]([O-])[*:1] Cc1ccc(/C=C2/N=C(OC2=O)c2cc(ccc2Cl)[*:1])o1
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]Cc1ccco1 c1coc(c1)C[*:1] Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+][*:1]
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]Cc1ccco1 c1coc(c1)[*:1] Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]C[*:1]
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]Cc1ccco1 Clc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C[NH2+]Cc1ccco1
Cc1nc(CC(=O)N2CCc3c(cnc(C)c3CNC(=O)C[NH+]3CCCCC3)C2)cs1 Cc1nc(cs1)[*:1] Cc1ncc2CN(CCc2c1CNC(=O)C[NH+]1CCCCC1)C(=O)C[*:1]
Cc1nc(CC(=O)N2CCc3c(cnc(C)c3CNC(=O)C[NH+]3CCCCC3)C2)cs1 Cc1nc(cs1)C[*:1] Cc1ncc2CN(CCc2c1CNC(=O)C[NH+]1CCCCC1)C(=O)[*:1]
CC(C)c1nnc(NC(=O)/C=C/c2c(Cl)cccc2Cl)s1 CC(C)[*:1] O=C(/C=C/c1c(Cl)cccc1Cl)Nc1nnc(s1)[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
COCCNc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccccc12 Cc1ccc(cc1)[*:1] COCCNc1nc2c(nnn2c2ccccc12)S(=O)(=O)[*:1]
COCCNc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccccc12 COC[*:1] Cc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NC[*:1])c1ccccc12
COCCNc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccccc12 COCCN[*:1] Cc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(c1ccccc12)[*:1]
COCCNc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccccc12 COCC[*:1] Cc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(N[*:1])c1ccccc12
CN(C)C(=O)CN(C)C(=O)COc1ccc2ccccc2c1 CN(C)C(=O)C[*:1] CN(C(=O)COc1ccc2ccccc2c1)[*:1]
CN(C)C(=O)CN(C)C(=O)COc1ccc2ccccc2c1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)COc1ccc2ccccc2c1
COc1ccc(OC)c(/C=N/O[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] COc1ccc(OC)c(/C=N/O[C@@H](C)c2cccc(c2)[*:1])c1
Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[n+]1ccccc1C Cc1cccc[n+]1[*:1] Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[n+]1ccccc1C Cc1ccccc1[*:1] Cc1cccc[n+]1[C@@H](C)C(=O)N[C@H](C)[*:1]
c1cc(CN2CCOCC2)cc(-c2nc3c(cnn3CC3CC3)[nH]2)c1 C1CC1[*:1] c1cc(cc(c1)-c1nc2c(cnn2C[*:1])[nH]1)CN1CCOCC1
c1cc(CN2CCOCC2)cc(-c2nc3c(cnn3CC3CC3)[nH]2)c1 C1CN(CCO1)C[*:1] c1cc(cc(c1)[*:1])-c1nc2c(cnn2CC2CC2)[nH]1
c1cc(CN2CCOCC2)cc(-c2nc3c(cnn3CC3CC3)[nH]2)c1 C1CC1C[*:1] c1cc(cc(c1)-c1nc2c(cnn2[*:1])[nH]1)CN1CCOCC1
c1cc(CN2CCOCC2)cc(-c2nc3c(cnn3CC3CC3)[nH]2)c1 C1CN(CCO1)[*:1] c1cc(cc(c1)-c1nc2c(cnn2CC2CC2)[nH]1)C[*:1]
COCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc2ccccc2c1 COCC(=O)N[*:1] C[C@H](c1nc2ccccc2n1Cc1ccc2ccccc2c1)[*:1]
COCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc2ccccc2c1 COC[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1Cc1ccc2ccccc2c1
COc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccs2)c1 c1csc(c1)[*:1] COc1cccc(c1)-c1nc2ccccc2c(=O)n1NC(=O)[*:1]
COc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccs2)c1 COc1cccc(c1)[*:1] O=C(Nn1c(nc2ccccc2c1=O)[*:1])c1cccs1
CC(C)C[C@@H](CNS(=O)(=O)c1ccn(C)c1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](CNS(=O)(=O)c1ccn(C)c1)[*:1]
CC(C)C[C@@H](CNS(=O)(=O)c1ccn(C)c1)C(=O)[O-] CC(C)[*:1] Cn1ccc(c1)S(=O)(=O)NC[C@H](C[*:1])C(=O)[O-]
CC(C)C[C@@H](CNS(=O)(=O)c1ccn(C)c1)C(=O)[O-] CC(C)C[*:1] Cn1ccc(c1)S(=O)(=O)NC[C@@H](C(=O)[O-])[*:1]
CC(C)C[C@@H](CNS(=O)(=O)c1ccn(C)c1)C(=O)[O-] Cn1ccc(c1)[*:1] CC(C)C[C@@H](CNS(=O)(=O)[*:1])C(=O)[O-]
COC(=O)N[C@H](C(=O)N1CCC[C@H](C)CC1)C(C)C COC(=O)N[*:1] CC(C)[C@@H](C(=O)N1CCC[C@H](C)CC1)[*:1]
COC(=O)N[C@H](C(=O)N1CCC[C@H](C)CC1)C(C)C CC(C)[*:1] COC(=O)N[C@H](C(=O)N1CCC[C@H](C)CC1)[*:1]
O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COc1ncnc2scc(c12)[*:1])NCc1ccc(F)cc1
O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)NC[*:1]
O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)N[*:1]
CCOc1cc(CNC(=O)c2cc(=O)c3ccccc3o2)ccn1 CCO[*:1] O=C(NCc1ccnc(c1)[*:1])c1cc(=O)c2ccccc2o1
[NH3+][C@@H]1CC[C@@H](NCC(=O)NCc2ccccc2)C1 c1ccc(cc1)[*:1] [NH3+][C@@H]1CC[C@H](C1)NCC(=O)NC[*:1]
COCCN(CCC(N)=[NH2+])C(=O)N(C)C NC(=[NH2+])C[*:1] COCCN(C[*:1])C(=O)N(C)C
COCCN(CCC(N)=[NH2+])C(=O)N(C)C NC(=[NH2+])[*:1] COCCN(CC[*:1])C(=O)N(C)C
COCCN(CCC(N)=[NH2+])C(=O)N(C)C COC[*:1] CN(C)C(=O)N(CCC(N)=[NH2+])C[*:1]
COCCN(CCC(N)=[NH2+])C(=O)N(C)C COCC[*:1] CN(C)C(=O)N(CCC(N)=[NH2+])[*:1]
COCCN(CCC(N)=[NH2+])C(=O)N(C)C NC(=[NH2+])CC[*:1] COCCN(C(=O)N(C)C)[*:1]
Cc1cc(-n2cc(C(F)(F)F)cn2)c([C@H](C)O)cc1F C[C@H](O)[*:1] Cc1cc(c(cc1F)[*:1])-n1cc(cn1)C(F)(F)F
Cc1cc(-n2cc(C(F)(F)F)cn2)c([C@H](C)O)cc1F FC(F)(F)[*:1] Cc1cc(c(cc1F)[C@H](C)O)-n1cc(cn1)[*:1]
Cc1cc(C)cc(/N=C/c2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)/N=C/c1ccccc1[*:1]
CCNC(=O)C[NH+](CC)CC(=O)Nc1ccc(C)c(F)c1 CCNC(=O)C[*:1] CC[NH+](CC(=O)Nc1ccc(C)c(F)c1)[*:1]
CCNC(=O)C[NH+](CC)CC(=O)Nc1ccc(C)c(F)c1 CCNC(=O)[*:1] CC[NH+](CC(=O)Nc1ccc(C)c(F)c1)C[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnnn1C Cn1nnnc1[*:1] Cc1ccc(cc1NC(=O)CS[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnnn1C Cn1nnnc1S[*:1] Cc1ccc(cc1NC(=O)C[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnnn1C O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)CSc1nnnn1C)[*:1]
CCCS(=O)(=O)NCCc1cc(F)ccc1F CCC[*:1] O=S(=O)(NCCc1cc(F)ccc1F)[*:1]
Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)N(C)C1CCCCC1 c1ccc(cc1)[*:1] Cc1sc(cc1S(=O)(=O)N(C)C1CCCCC1)-c1nc(no1)[*:1]
Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)N(C)C1CCCCC1 C1CCC(CC1)[*:1] Cc1sc(cc1S(=O)(=O)N(C)[*:1])-c1nc(no1)-c1ccccc1
NS(=O)(=O)c1cnc(N2CC[C@@](O)(C(F)(F)F)C2)s1 NS(=O)(=O)[*:1] O[C@]1(CCN(C1)c1ncc(s1)[*:1])C(F)(F)F
NS(=O)(=O)c1cnc(N2CC[C@@](O)(C(F)(F)F)C2)s1 FC(F)(F)[*:1] NS(=O)(=O)c1cnc(s1)N1CC[C@@](O)(C1)[*:1]
Cc1ccc(C)c(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CCC(=O)[*:1]
CCCCC[C@@H]([NH2+]C)C(C)(C)[NH+](C)C CCCC[*:1] C[NH2+][C@H](C[*:1])C(C)(C)[NH+](C)C
CCCCC[C@@H]([NH2+]C)C(C)(C)[NH+](C)C CCC[*:1] C[NH2+][C@H](CC[*:1])C(C)(C)[NH+](C)C
CCOC(=O)CS[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 CCOC(=O)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](C)SC[*:1]
CCOC(=O)CS[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 CCOC(=O)C[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](C)S[*:1]
COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OC)N2N=C[N-]C2=N1 c1ccc(cc1)[*:1] COC(=O)C1N=C2[N-]C=NN2[C@@H](C=1C(=O)[*:1])c1ccccc1OC
COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OC)N2N=C[N-]C2=N1 COc1ccccc1[*:1] COC(=O)C1N=C2[N-]C=NN2[C@H](C=1C(=O)c1ccccc1)[*:1]
COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OC)N2N=C[N-]C2=N1 COC(=O)[*:1] COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(N=C2[N-]C=NN21)[*:1]
COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OC)N2N=C[N-]C2=N1 O=C(c1ccccc1)[*:1] COC(=O)C1N=C2[N-]C=NN2[C@@H](C=1[*:1])c1ccccc1OC
C[C@H]1CCc2c(sc3nc(CN(C)Cc4cnccn4)nc(N)c23)C1 c1cnc(cn1)C[*:1] C[C@H]1CCc2c(C1)sc1nc(CN(C)[*:1])nc(N)c21
C[C@H]1CCc2c(sc3nc(CN(C)Cc4cnccn4)nc(N)c23)C1 c1cnc(cn1)[*:1] C[C@H]1CCc2c(C1)sc1nc(CN(C)C[*:1])nc(N)c21
O=C(NNc1ncnc(NC2CCCC2)c1[N+](=O)[O-])c1cccc(Cl)c1 C1CCC(C1)N[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1cccc(Cl)c1
O=C(NNc1ncnc(NC2CCCC2)c1[N+](=O)[O-])c1cccc(Cl)c1 C1CCC(C1)[*:1] O=C(NNc1ncnc(N[*:1])c1[N+](=O)[O-])c1cccc(Cl)c1
O=C(NNc1ncnc(NC2CCCC2)c1[N+](=O)[O-])c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NNc1ncnc(NC2CCCC2)c1[N+](=O)[O-])[*:1]
O=C(NNc1ncnc(NC2CCCC2)c1[N+](=O)[O-])c1cccc(Cl)c1 O=[N+]([O-])[*:1] O=C(NNc1ncnc(NC2CCCC2)c1[*:1])c1cccc(Cl)c1
COCC(=O)Nc1ccc(NC(=O)NCCC2CCCCC2)cc1 COC[*:1] O=C(NCCC1CCCCC1)Nc1ccc(cc1)NC(=O)[*:1]
COCC(=O)Nc1ccc(NC(=O)NCCC2CCCCC2)cc1 C1CCC(CC1)[*:1] COCC(=O)Nc1ccc(cc1)NC(=O)NCC[*:1]
COCC(=O)Nc1ccc(NC(=O)NCCC2CCCCC2)cc1 COCC(=O)N[*:1] O=C(NCCC1CCCCC1)Nc1ccc(cc1)[*:1]
COCC(=O)Nc1ccc(NC(=O)NCCC2CCCCC2)cc1 C1CCC(CC1)C[*:1] COCC(=O)Nc1ccc(cc1)NC(=O)NC[*:1]
COCC(=O)Nc1ccc(NC(=O)NCCC2CCCCC2)cc1 C1CCC(CC1)CC[*:1] COCC(=O)Nc1ccc(cc1)NC(=O)N[*:1]
COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(F)ccc3C)C2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(F)cc1C(=O)N1C[C@@H](C[C@@H]1C)[*:1]
COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(F)ccc3C)C2)cc1 Cc1ccc(F)cc1[*:1] COc1ccc(cc1)[C@@H]1C[C@H](C)N(C1)C(=O)[*:1]
C[C@@H](Sc1ccccn1)C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 c1ccc(nc1)S[*:1] C[C@@H](C(=O)N(C)Cc1ccc(cc1)[S@@](C)=O)[*:1]
C[C@@H](Sc1ccccn1)C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] C[C@@H](Sc1ccccn1)C(=O)N(C)Cc1ccc(cc1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)N(C)Cc1ccc(cc1)[S@@](C)=O
COCc1nc(C)cc(N2C[C@H](C)C[C@@H]2c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] COCc1nc(C)cc(n1)N1C[C@H](C)C[C@H]1[*:1]
COCc1nc(C)cc(N2C[C@H](C)C[C@@H]2c2cccc(F)c2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N1C[C@H](C)C[C@@H]1c1cccc(F)c1
C[C@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)C[C@H]1O Fc1ccc(cc1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1cc(nc2ccccc12)[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 CN(C)S(=O)(=O)[*:1] O=C(Nc1nc(cs1)-c1cc(F)ccc1F)c1cc(ccc1Cl)[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 Fc1ccc(F)c(c1)[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1nc(cs1)[*:1]
CC(C)Nc1scc(-c2ccc(F)cc2)[n+]1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 Fc1ccc(cc1)[*:1] CC(C)Nc1scc([n+]1/N=C/c1cc2OCOc2cc1[N+](=O)[O-])[*:1]
CC(C)Nc1scc(-c2ccc(F)cc2)[n+]1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 CC(C)[*:1] O=[N+]([O-])c1cc2OCOc2cc1/C=N/[n+]1c(csc1N[*:1])-c1ccc(F)cc1
CC(C)Nc1scc(-c2ccc(F)cc2)[n+]1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 O=[N+]([O-])[*:1] CC(C)Nc1scc(-c2ccc(F)cc2)[n+]1/N=C/c1cc2OCOc2cc1[*:1]
CC(C)Nc1scc(-c2ccc(F)cc2)[n+]1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 CC(C)N[*:1] O=[N+]([O-])c1cc2OCOc2cc1/C=N/[n+]1c(csc1[*:1])-c1ccc(F)cc1
COC(=O)c1cccc(C(=O)NCCc2ccc(F)cc2C)c1 COC(=O)[*:1] Cc1cc(F)ccc1CCNC(=O)c1cccc(c1)[*:1]
COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O COc1ccccc1[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N(C)CC(=O)N[*:1]
O=C([O-])[C@@H]1CCCN(C(=O)c2cc(Br)c[nH]2)C1 O=C([O-])[*:1] O=C(c1cc(Br)c[nH]1)N1CCC[C@H](C1)[*:1]
COC(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3nc4c(F)cc(F)cc4s3)CC2)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)c1nc2c(F)cc(F)cc2s1)[*:1]
COC(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3nc4c(F)cc(F)cc4s3)CC2)cc1 COC(=O)[*:1] O=C(NCC[NH+]1CCN(CC1)c1nc2c(F)cc(F)cc2s1)c1ccc(cc1)[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C c1coc(c1)C[*:1] Cc1ccc(cc1C)N1C(=O)[C@@H](Cc2ccccc2C)S/C1=C(/C#N)C(=O)N[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C O=C(NCc1ccco1)[*:1] Cc1ccc(cc1C)N1C(=O)[C@@H](Cc2ccccc2C)SC1=C(C#N)[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C Cc1ccccc1[*:1] Cc1ccc(cc1C)N1C(=O)[C@@H](C[*:1])S/C1=C(/C#N)C(=O)NCc1ccco1
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C Cc1ccc(cc1C)[*:1] Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(C1=O)[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C Cc1ccccc1C[*:1] Cc1ccc(cc1C)N1C(=O)[C@@H](S/C1=C(/C#N)C(=O)NCc1ccco1)[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)N1C(=O)[C@@H](Cc2ccccc2C)S/C1=C(/C#N)C(=O)NC[*:1]
COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 COc1ccccc1[*:1] Cc1cc(C)cc(c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 Cc1cc(C)cc(c1)[*:1] COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C([O-])[C@H]1CSCN1C(=O)Nc1ccc(F)cc1F O=C([O-])[*:1] O=C(Nc1ccc(F)cc1F)N1CSC[C@@H]1[*:1]
Cc1ccc(C)c([C@@H]2CN(CC(=O)N(C)Cc3ccco3)[C@H](C)CO2)c1 c1coc(c1)[*:1] Cc1ccc(C)c(c1)[C@@H]1CN(CC(=O)N(C)C[*:1])[C@H](C)CO1
Cc1ccc(C)c([C@@H]2CN(CC(=O)N(C)Cc3ccco3)[C@H](C)CO2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H]1CO[C@@H](CN1CC(=O)N(C)Cc1ccco1)[*:1]
Cc1ccc(C)c([C@@H]2CN(CC(=O)N(C)Cc3ccco3)[C@H](C)CO2)c1 c1coc(c1)C[*:1] Cc1ccc(C)c(c1)[C@@H]1CN(CC(=O)N(C)[*:1])[C@H](C)CO1
COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] COc1ccc(cc1NC(=O)[C@@H](C)N[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2 CC(=O)N[*:1] COc1ccc(cc1NC(=O)[C@@H](C)Nc1ccc2CCCc2c1)[*:1]
CCOCc1ccccc1NC(=O)N1CCN(c2nc(C)cs2)CC1 CCO[*:1] Cc1csc(n1)N1CCN(CC1)C(=O)Nc1ccccc1C[*:1]
CCOCc1ccccc1NC(=O)N1CCN(c2nc(C)cs2)CC1 CCOC[*:1] Cc1csc(n1)N1CCN(CC1)C(=O)Nc1ccccc1[*:1]
CCOCc1ccccc1NC(=O)N1CCN(c2nc(C)cs2)CC1 Cc1csc(n1)[*:1] CCOCc1ccccc1NC(=O)N1CCN(CC1)[*:1]
Cc1ccc(Oc2ncccc2CNC(=O)C2([NH+]3CCCC3)CCCCC2)cn1 Cc1ccc(cn1)[*:1] O=C(NCc1cccnc1O[*:1])C1(CCCCC1)[NH+]1CCCC1
Cc1ccc(Oc2ncccc2CNC(=O)C2([NH+]3CCCC3)CCCCC2)cn1 Cc1ccc(cn1)O[*:1] O=C(NCc1cccnc1[*:1])C1(CCCCC1)[NH+]1CCCC1
CN(Cc1c(F)cccc1Cl)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 c1ccc(cc1)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)[C@H](C[*:1])NC(=O)c1ccco1
CN(Cc1c(F)cccc1Cl)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
CN(Cc1c(F)cccc1Cl)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 Fc1cccc(Cl)c1C[*:1] CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 c1coc(c1)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)[C@H](Cc1ccccc1)NC(=O)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 c1ccc(cc1)C[*:1] CN(Cc1c(F)cccc1Cl)C(=O)[C@H](NC(=O)c1ccco1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 CN(Cc1c(F)cccc1Cl)C(=O)[C@H](Cc1ccccc1)[*:1]
CCCCNC(=O)[C@@H](C)S[C@H](C)[C@@H](C)O CCC[*:1] C[C@@H](S[C@H](C)[C@@H](C)O)C(=O)NC[*:1]
CCCCNC(=O)[C@@H](C)S[C@H](C)[C@@H](C)O C[C@@H](O)[C@@H](C)[*:1] CCCCNC(=O)[C@@H](C)S[*:1]
CCCCNC(=O)[C@@H](C)S[C@H](C)[C@@H](C)O C[C@@H](O)[*:1] CCCCNC(=O)[C@@H](C)S[C@H](C)[*:1]
CCCCNC(=O)[C@@H](C)S[C@H](C)[C@@H](C)O CCCC[*:1] C[C@@H](S[C@H](C)[C@@H](C)O)C(=O)N[*:1]
CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(Br)cc21 CCNC(=O)C[*:1] O=c1c2cccn2c2ccc(Br)cc2n1CC[*:1]
CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(Br)cc21 CCNC(=O)CC[*:1] O=c1c2cccn2c2ccc(Br)cc2n1C[*:1]
CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(Br)cc21 CCNC(=O)[*:1] O=c1c2cccn2c2ccc(Br)cc2n1CCC[*:1]
COc1cc(NCC(=O)N[C@H](C)c2ccco2)c(OC)cc1Cl c1coc(c1)[*:1] COc1cc(NCC(=O)N[C@H](C)[*:1])c(cc1Cl)OC
COc1cc(NCC(=O)N[C@H](C)c2ccco2)c(OC)cc1Cl C[C@H](c1ccco1)[*:1] COc1cc(NCC(=O)N[*:1])c(cc1Cl)OC
CC(C)C[C@@H]1NC(=O)C(C#N)=C(SCc2ccccc2)S1 CC(C)[*:1] N#CC1C(=O)N[C@@H](C[*:1])SC=1SCc1ccccc1
CC(C)C[C@@H]1NC(=O)C(C#N)=C(SCc2ccccc2)S1 c1ccc(cc1)C[*:1] CC(C)C[C@@H]1NC(=O)C(C#N)=C(S1)S[*:1]
CC(C)C[C@@H]1NC(=O)C(C#N)=C(SCc2ccccc2)S1 CC(C)C[*:1] N#CC1C(=O)N[C@H](SC=1SCc1ccccc1)[*:1]
CC(C)C[C@@H]1NC(=O)C(C#N)=C(SCc2ccccc2)S1 c1ccc(cc1)[*:1] CC(C)C[C@@H]1NC(=O)C(C#N)=C(SC[*:1])S1
CC1=C[C@@H]([C@H]2NN[C@H](S)N2/N=C/c2ccccc2Br)N=N1 Brc1ccccc1[*:1] CC1=C[C@H](N=N1)[C@H]1NN[C@H](S)N1N=C[*:1]
CN(C)C(=O)[C@@]1(C)CCCN(c2ncccn2)C1 CN(C)C(=O)[*:1] C[C@]1(CCCN(C1)c1ncccn1)[*:1]
CN(C)C(=O)[C@@]1(C)CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CN(C)C(=O)[C@@]1(C)CCCN(C1)[*:1]
C=CCNC(=O)N(C)CCOc1ccc(C)cc1 C=CC[*:1] Cc1ccc(cc1)OCCN(C)C(=O)N[*:1]
CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1 CCS(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1nc2ccc(Cl)cc2s1
Cc1nnc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc(F)cc2)s1 Cc1nnc(NC(=O)C[*:1])s1 O=c1c2[nH]c3ccccc3c2nc(S[*:1])n1-c1ccc(F)cc1
Cc1nnc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc(F)cc2)s1 Cc1nnc(NC(=O)[*:1])s1 O=c1c2[nH]c3ccccc3c2nc(SC[*:1])n1-c1ccc(F)cc1
Cc1nnc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] Cc1nnc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2[*:1])s1
Cc1nnc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc(F)cc2)s1 Cc1nnc(s1)[*:1] O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1)N[*:1]
CCC[C@H](C)N(C)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1 CCC[C@H](C)[*:1] CN(C)C(=O)C[C@H](NC(=O)N(C)[*:1])c1ccccc1
CCC[C@H](C)N(C)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](C)N(C)C(=O)N[C@@H](CC(=O)N(C)C)[*:1]
CCC[C@H](C)N(C)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1 CCC[*:1] C[C@H](N(C)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1)[*:1]
CCC[C@H](C)N(C)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1 CN(C)C(=O)C[*:1] CCC[C@H](C)N(C)C(=O)N[C@@H](c1ccccc1)[*:1]
CCC[C@H](C)N(C)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1 CN(C)C(=O)[*:1] CCC[C@H](C)N(C)C(=O)N[C@@H](C[*:1])c1ccccc1
O=C(NCCC1CCC1)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] O=C(NCCC1CCC1)c1cnc(s1)[*:1]
O=C(NCCC1CCC1)c1cnc([C@@H]2CCCO2)s1 C1CC(C1)[*:1] O=C(NCC[*:1])c1cnc(s1)[C@@H]1CCCO1
O=C(NCCC1CCC1)c1cnc([C@@H]2CCCO2)s1 C1CC(C1)CC[*:1] O=C(N[*:1])c1cnc(s1)[C@@H]1CCCO1
O=C(NCCC1CCC1)c1cnc([C@@H]2CCCO2)s1 C1CC(C1)C[*:1] O=C(NC[*:1])c1cnc(s1)[C@@H]1CCCO1
Cc1cc(C)c(C#N)c(OCC(=O)N/N=C/c2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] Cc1cc(C)c(C#N)c(n1)OCC(=O)NN=C[*:1]
COc1ccc(Cl)cc1NC(=O)NC[C@H](O)c1ccsc1 c1cc(cs1)[*:1] COc1ccc(Cl)cc1NC(=O)NC[C@H](O)[*:1]
COc1cc(CN2CC[NH+](Cc3ccccc3Br)CC2)cc(OC)c1O Brc1ccccc1C[*:1] COc1cc(cc(OC)c1O)CN1CC[NH+](CC1)[*:1]
COc1cc(CN2CC[NH+](Cc3ccccc3Br)CC2)cc(OC)c1O Brc1ccccc1[*:1] COc1cc(cc(OC)c1O)CN1CC[NH+](CC1)C[*:1]
O=C1CS/C(=N\c2ccccc2)N1CCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C1CS/C(=N\c2ccccc2)N1CC[*:1]
O=C1CS/C(=N\c2ccccc2)N1CCCN1CCOCC1 C1CN(CCO1)[*:1] O=C1CS/C(=N\c2ccccc2)N1CCC[*:1]
O=C1CS/C(=N\c2ccccc2)N1CCCN1CCOCC1 c1ccc(cc1)[*:1] O=C1CSC(=N[*:1])N1CCCN1CCOCC1
CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 CCN(CC)S(=O)(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(Cl)c2OCCCOc2c1
CCOc1ccc([C@H]2CCCN2C(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1CCCN1C(=O)/C=C/c1cn(C[*:1])nn1
CCOc1ccc([C@H]2CCCN2C(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1 CCOc1ccc(cc1)[*:1] O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCC[C@@H]1[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1 CCO[*:1] O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCC[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)[C@H]1CCCN1C(=O)/C=C/c1cn(nn1)[*:1]
C[C@H]1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)C1 CC(C)(C)[*:1] C[C@H]1CCC[C@@H](C1)[NH2+][C@@H](C)C(=O)N[*:1]
Cc1noc(C)c1CCC(=O)NCCOc1cccc2cccnc12 Cc1noc(C)c1[*:1] O=C(CC[*:1])NCCOc1cccc2cccnc12
Cc1noc(C)c1CCC(=O)NCCOc1cccc2cccnc12 Cc1noc(C)c1C[*:1] O=C(C[*:1])NCCOc1cccc2cccnc12
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccn1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)NC2C[C@H](CC(=O)C=2[C@H]1c1ccccn1)[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccn1 c1ccc(nc1)[*:1] CCOC(=O)C1=C(C)NC2C[C@@H](CC(=O)C=2[C@@H]1[*:1])c1ccccc1
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccn1 CCOC(=O)[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@H](C=1[*:1])c1ccccn1)c1ccccc1
COc1cc(CN(C)c2cncc(C(N)=O)n2)ccc1O NC(=O)[*:1] COc1cc(ccc1O)CN(C)c1cncc(n1)[*:1]
CCc1oc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1C O=S1(=O)CC[C@H](C1)[*:1] CCc1oc(cc1C)C(=O)N(CC[NH+](C)C)[*:1]
C[C@](NC(=O)NCCC[NH3+])(C(=O)[O-])C(F)(F)F [NH3+]CCC[*:1] C[C@](NC(=O)N[*:1])(C(=O)[O-])C(F)(F)F
C[C@](NC(=O)NCCC[NH3+])(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@](NC(=O)NCCC[NH3+])(C(F)(F)F)[*:1]
C[C@](NC(=O)NCCC[NH3+])(C(=O)[O-])C(F)(F)F [NH3+]CC[*:1] C[C@](NC(=O)NC[*:1])(C(=O)[O-])C(F)(F)F
C[C@](NC(=O)NCCC[NH3+])(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](NC(=O)NCCC[NH3+])(C(=O)[O-])[*:1]
COc1ccccc1O[C@@H](C)CNC(=O)N(C)C1CCC1 C1CC(C1)[*:1] COc1ccccc1O[C@@H](C)CNC(=O)N(C)[*:1]
Cc1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)NCC1(CCOCC1)[*:1]
Cc1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)c1ccccc1)N[*:1]
Cc1cccc(N2CCN(C(=O)c3cccc(Br)c3)[C@@H](C)C2=O)c1 Cc1cccc(c1)[*:1] C[C@H]1C(=O)N(CCN1C(=O)c1cccc(Br)c1)[*:1]
Cc1cccc(N2CCN(C(=O)c3cccc(Br)c3)[C@@H](C)C2=O)c1 Brc1cccc(c1)[*:1] Cc1cccc(c1)N1CCN(C(=O)[*:1])[C@@H](C)C1=O
CC1CCN(C(=O)[C@@H]2CCCN(C(=S)N[C@H](C)c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)[C@@H]1CCCN(C1)C(=S)N[C@H](C)[*:1]
CC1CCN(C(=O)[C@@H]2CCCN(C(=S)N[C@H](C)c3ccccc3)C2)CC1 C[C@H](c1ccccc1)[*:1] CC1CCN(CC1)C(=O)[C@@H]1CCCN(C1)C(=S)N[*:1]
CC[C@H](Cc1ccccc1Br)C(=O)N1CCOC[C@@H]1C1CC1 Brc1ccccc1[*:1] CC[C@H](C[*:1])C(=O)N1CCOC[C@@H]1C1CC1
CC[C@H](Cc1ccccc1Br)C(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] CC[C@H](Cc1ccccc1Br)C(=O)N1CCOC[C@H]1[*:1]
COC(=O)Cc1ccc(CN2CCO[C@H](c3cnn(C)c3)C2)s1 Cn1cc(cn1)[*:1] COC(=O)Cc1ccc(CN2CCO[C@H](C2)[*:1])s1
COC(=O)Cc1ccc(CN2CCO[C@H](c3cnn(C)c3)C2)s1 COC(=O)[*:1] Cn1cc(cn1)[C@@H]1CN(CCO1)Cc1ccc(C[*:1])s1
COC(=O)Cc1ccc(CN2CCO[C@H](c3cnn(C)c3)C2)s1 COC(=O)C[*:1] Cn1cc(cn1)[C@@H]1CN(CCO1)Cc1ccc(s1)[*:1]
COc1cc(OC)cc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 CN(C)S(=O)(=O)[*:1] COc1cc(cc(c1)OC(=O)c1ccc(cc1)[*:1])OC
CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1)=C\c1ccccc1 Nc1nonc1[*:1] CC(/C=N/NC(=O)c1nnn(c1-c1ccc(C)cc1)[*:1])=C\c1ccccc1
CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1)=C\c1ccccc1 c1ccc(cc1)[*:1] CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1)=C[*:1]
CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1)=C\c1ccccc1 CC(=Cc1ccccc1)[*:1] Cc1ccc(cc1)-c1c(nnn1-c1nonc1N)C(=O)NN=C[*:1]
CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1)=C\c1ccccc1 Cc1ccc(cc1)[*:1] CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1[*:1])=C\c1ccccc1
Cc1cccc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 Cc1cccc(c1)[*:1] O=S(=O)(NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CCC(=O)N1CCN(C)C(=O)[C@@H]1Cc1cccc(-c2ccc(OC)cc2)c1 COc1ccc(cc1)[*:1] CCC(=O)N1CCN(C)C(=O)[C@@H]1Cc1cccc(c1)[*:1]
O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 O=C([O-])[*:1] O=C(c1ccccc1-c1ccccc1[*:1])N1CC[NH+](CC1)Cc1ccc2OCOc2c1
O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 O=C([O-])c1ccccc1[*:1] O=C(c1ccccc1[*:1])N1CC[NH+](CC1)Cc1ccc2OCOc2c1
O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CC[NH+](CC1)[*:1]
O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CC[NH+](CC1)C[*:1]
Cn1cnnc1CNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2 c1ccc(cc1)[*:1] Cn1cnnc1CNC(=O)[C@@]1(C[C@H]2CC[C@@H]1C2)C[*:1]
Cn1cnnc1CNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2 Cn1cnnc1C[*:1] O=C(N[*:1])[C@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2
Cn1cnnc1CNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2 c1ccc(cc1)C[*:1] Cn1cnnc1CNC(=O)[C@@]1(C[C@H]2CC[C@@H]1C2)[*:1]
Cn1cnnc1CNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2 Cn1cnnc1[*:1] O=C(NC[*:1])[C@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2
Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](c4nc(C)ncc4-c4ccc(F)cc4)C3)cc2)n1 Cc1cc(C)n(C[*:1])n1 Cc1ncc(-c2ccc(F)cc2)c(n1)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](c4nc(C)ncc4-c4ccc(F)cc4)C3)cc2)n1 Cc1cc(C)n(n1)[*:1] Cc1ncc(-c2ccc(F)cc2)c(n1)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C[*:1]
Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](c4nc(C)ncc4-c4ccc(F)cc4)C3)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(C)n(Cc2ccc(cc2)C(=O)N2CCC[C@H](C2)c2nc(C)ncc2[*:1])n1
COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2C[*:1]
COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C1CCc2cc(ccc2N1Cc1ccccc1)NC(=O)[*:1]
COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CC[NH+](CC)CCn1c([C@H](C)Cl)nc2cnccc21 C[C@H](Cl)[*:1] CC[NH+](CC)CCn1c(nc2cnccc21)[*:1]
CC(=O)Nc1ccc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c(C(F)(F)F)c1 FC(F)(F)[*:1] CC(=O)Nc1ccc(NC(=O)c2oc3CCCC(=O)c3c2C)c(c1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c(C(F)(F)F)c1 CC(=O)N[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
COc1ccc(NC(=O)CCCc2nc(-c3cccnc3)no2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)NC(=O)CCCc1nc(no1)[*:1]
COc1ccc(NC(=O)CCCc2nc(-c3cccnc3)no2)cc1 COc1ccc(cc1)[*:1] O=C(CCCc1nc(no1)-c1cccnc1)N[*:1]
COc1ccccc1[C@@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)C1CCCC1 C1CCC(C1)[*:1] COc1ccccc1[C@@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)[*:1]
COc1ccccc1[C@@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)C1CCCC1 COc1ccccc1[*:1] Cc1cn2C[C@H](CCc2[nH+]1)[NH2+][C@@H](C1CCCC1)[*:1]
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1[*:1]
C[C@@H]1CCCC[C@H]1OCC(=O)Oc1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]1CCCC[C@H]1OCC(=O)Oc1cc(F)ccc1[*:1]
CCCCCC[C@H](C)n1c(=S)[nH]c2c(C)nn(C)c21 CCCCC[*:1] Cc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)C[*:1]
CCCCCC[C@H](C)n1c(=S)[nH]c2c(C)nn(C)c21 CCCC[*:1] Cc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)CC[*:1]
CCCCCC[C@H](C)n1c(=S)[nH]c2c(C)nn(C)c21 CCCCCC[*:1] Cc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)[*:1]
CCCCCC[C@H](C)n1c(=S)[nH]c2c(C)nn(C)c21 CCC[*:1] Cc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)CCC[*:1]
Cc1cnc(=O)n(C[C@H](CS)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cnc(=O)n(c1)C[C@H](CS)[*:1]
CCC[NH2+]C[C@H]1CCCCN1CCC CCC[*:1] CCCN1CCCC[C@@H]1C[NH2+][*:1]
CCC[NH2+]C[C@H]1CCCCN1CCC CCC[*:1] CCC[NH2+]C[C@H]1CCCCN1[*:1]
O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)NNC(=O)c1cccnc1 c1cncc(c1)[*:1] O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)NNC(=O)[*:1]
O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)NNC(=O)c1cccnc1 c1ccc(cc1)[*:1] O=C(CCN1C(=O)SC(=C[*:1])C1=O)NNC(=O)c1cccnc1
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N[*:1]
CCOc1c(Cl)cc(C[NH+]2CCC(OC(C)=O)CC2)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])C[NH+]1CCC(CC1)OC(C)=O
CCOc1c(Cl)cc(C[NH+]2CCC(OC(C)=O)CC2)cc1OC CC(=O)O[*:1] CCOc1c(Cl)cc(cc1OC)C[NH+]1CCC(CC1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CC(=O)[O-])[*:1]
CS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 O=C([O-])[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C[*:1])c1ccccc1
CS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 O=C([O-])C[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](c1ccccc1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 CS(=O)(=O)[*:1] O=C([O-])C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1
CCn1nc(C)c(Br)c1C[C@@H]([NH3+])[C@@H](C)OC CO[C@H](C)[*:1] CCn1nc(C)c(Br)c1C[C@@H]([NH3+])[*:1]
Clc1cc(-n2cnnn2)ccc1-c1nc(-c2cnccn2)no1 c1cnc(cn1)[*:1] Clc1cc(ccc1-c1nc(no1)[*:1])-n1cnnn1
Clc1cc(-n2cnnn2)ccc1-c1nc(-c2cnccn2)no1 c1nnnn1[*:1] Clc1cc(ccc1-c1nc(no1)-c1cnccn1)[*:1]
COc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(C(F)(F)F)cc3)sc2c1 FC(F)(F)[*:1] COc1ccc2nc(sc2c1)N(Cc1cccnc1)C(=O)c1ccc(cc1)[*:1]
COc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(C(F)(F)F)cc3)sc2c1 c1cncc(c1)[*:1] COc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1ccc(cc1)C(F)(F)F
COc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(C(F)(F)F)cc3)sc2c1 FC(F)(F)c1ccc(cc1)[*:1] COc1ccc2nc(sc2c1)N(Cc1cccnc1)C(=O)[*:1]
COc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(C(F)(F)F)cc3)sc2c1 c1cncc(c1)C[*:1] COc1ccc2nc(sc2c1)N(C(=O)c1ccc(cc1)C(F)(F)F)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1F Cc1cccc(C)c1[*:1] O=C(CNC(=O)c1ccc(cc1F)[N+](=O)[O-])N[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(cc1F)[*:1]
CC[C@@H](C)n1ccc(COc2c(F)cc(C=O)cc2F)n1 CC[C@@H](C)[*:1] O=Cc1cc(F)c(OCc2ccn(n2)[*:1])c(F)c1
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCC(C)(C)c1ccc(Cl)cc1 Cc1n[nH]c(C)c1[*:1] CC(C)(CNC(=O)N1CCC[C@H]1[*:1])c1ccc(Cl)cc1
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCC(C)(C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCC(C)(C)[*:1]
Cn1c(=O)c2ccccc2n2c(CN(Cc3ccccc3F)c3ccccc3F)nnc12 Fc1ccccc1[*:1] Cn1c(=O)c2ccccc2n2c(CN(Cc3ccccc3F)[*:1])nnc12
Cn1c(=O)c2ccccc2n2c(CN(Cc3ccccc3F)c3ccccc3F)nnc12 Fc1ccccc1C[*:1] Cn1c(=O)c2ccccc2n2c(CN(c3ccccc3F)[*:1])nnc12
Cn1c(=O)c2ccccc2n2c(CN(Cc3ccccc3F)c3ccccc3F)nnc12 Fc1ccccc1[*:1] Cn1c(=O)c2ccccc2n2c(CN(C[*:1])c3ccccc3F)nnc12
O=C1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)c2ccccc2N1 c1cc2CCCc2cc1[*:1] O=C1CN(C(=O)[C@@H]2CC(=O)N(C2)[*:1])c2ccccc2N1
CCC[NH2+][C@H](C)[C@]1(C)CCCO1 CCC[*:1] C[C@@H]([NH2+][*:1])[C@]1(C)CCCO1
O=C(NCc1cccs1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 c1csc(c1)[*:1] O=C(NC[*:1])N1CCN(CC1)Cc1nnnn1-c1ccccc1
O=C(NCc1cccs1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 c1csc(c1)C[*:1] O=C(N[*:1])N1CCN(CC1)Cc1nnnn1-c1ccccc1
O=C(NCc1cccs1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCc1cccs1)N1CCN(CC1)Cc1nnnn1[*:1]
Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCOC3(CCCCC3)C2)s1 Cc1nc(C)c(s1)[*:1] C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)[*:1]
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CC[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C1Nc2ccc(cc2O[C@H]1CC[NH+]1CCN(CC1)[*:1])[N+](=O)[O-]
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CC[NH+]1CCN(c2ccccc2)CC1 O=[N+]([O-])[*:1] O=C1Nc2ccc(cc2O[C@H]1CC[NH+]1CCN(CC1)c1ccccc1)[*:1]
O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)NNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)NNC(=O)[*:1]
C#CCN1CCN(C(=O)NC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] C#CCN1CCN(CC1)C(=O)NC[*:1]
C#CCN1CCN(C(=O)NC[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] C#CCN1CCN(CC1)C(=O)N[*:1]
C#CCN1CCN(C(=O)NC[C@H]2CCCO2)CC1 C#CC[*:1] O=C(NC[C@H]1CCCO1)N1CCN(CC1)[*:1]
Cc1nn(-c2ccc(C(=O)NC3CC3)cc2)c(C)c1Cl C1CC1[*:1] Cc1nn(-c2ccc(cc2)C(=O)N[*:1])c(C)c1Cl
Cc1nn(-c2ccc(C(=O)NC3CC3)cc2)c(C)c1Cl O=C(NC1CC1)[*:1] Cc1nn(-c2ccc(cc2)[*:1])c(C)c1Cl
CCOc1cc(NC(=O)N2CCC[C@@H](C)CC2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])NC(=O)N1CCC[C@@H](C)CC1
CC[C@H](C1CCCCC1)n1c(CCl)nc2cccnc21 C1CCC(CC1)[*:1] CC[C@H](n1c(CCl)nc2cccnc21)[*:1]
Cc1cc(N/C=C2\C(=O)N(c3cc(Cl)ccc3N3CCOCC3)C(=O)c3ccccc32)no1 Cc1cc(no1)N[*:1] O=C1C(=C[*:1])c2ccccc2C(=O)N1c1cc(Cl)ccc1N1CCOCC1
Cc1cc(N/C=C2\C(=O)N(c3cc(Cl)ccc3N3CCOCC3)C(=O)c3ccccc32)no1 Cc1cc(no1)[*:1] O=C1/C(=C\N[*:1])c2ccccc2C(=O)N1c1cc(Cl)ccc1N1CCOCC1
Cc1cc(N/C=C2\C(=O)N(c3cc(Cl)ccc3N3CCOCC3)C(=O)c3ccccc32)no1 C1CN(CCO1)[*:1] Cc1cc(no1)N/C=C1\C(=O)N(C(=O)c2ccccc21)c1cc(Cl)ccc1[*:1]
C[NH+]1CCN([C@@H](CNc2ncccc2[N+](=O)[O-])c2cccs2)CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)[C@@H](CNc1ncccc1[*:1])c1cccs1
C[NH+]1CCN([C@@H](CNc2ncccc2[N+](=O)[O-])c2cccs2)CC1 c1csc(c1)[*:1] C[NH+]1CCN(CC1)[C@@H](CNc1ncccc1[N+](=O)[O-])[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)Nc1ccccc1F Fc1ccccc1[*:1] COc1cc(C)c(N)cc1S(=O)(=O)N[*:1]
C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O Fc1ccc(F)c(c1)[*:1] C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CCOC(=O)[C@H]1CCCN1C(=O)[C@H]1CCO[C@@H]1C CCOC(=O)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1[*:1]
Cc1nc(C(=O)NCCc2ccccc2)cc2c1[nH]c1ccccc12 c1ccc(cc1)CC[*:1] Cc1nc(cc2c1[nH]c1ccccc12)C(=O)N[*:1]
Cc1nc(C(=O)NCCc2ccccc2)cc2c1[nH]c1ccccc12 c1ccc(cc1)C[*:1] Cc1nc(cc2c1[nH]c1ccccc12)C(=O)NC[*:1]
Cc1nc(C(=O)NCCc2ccccc2)cc2c1[nH]c1ccccc12 c1ccc(cc1)[*:1] Cc1nc(cc2c1[nH]c1ccccc12)C(=O)NCC[*:1]
CC(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CC(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1[*:1]
CC(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1F C1CN(CCO1)CC[*:1] CC(=O)C1=C([O-])C(=O)N([C@@H]1c1ccccc1F)[*:1]
CC(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1F CC(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccccc2F)N1CCN1CCOCC1)[*:1]
CC(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1F C1CN(CCO1)C[*:1] CC(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccccc1F
CC(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1F C1CN(CCO1)[*:1] CC(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccccc1F
O=C(CSc1cccc[n+]1[O-])N1c2ccccc2Sc2ccccc21 [O-][n+]1ccccc1[*:1] O=C(CS[*:1])N1c2ccccc2Sc2ccccc21
O=C(CSc1cccc[n+]1[O-])N1c2ccccc2Sc2ccccc21 [O-][n+]1ccccc1S[*:1] O=C(C[*:1])N1c2ccccc2Sc2ccccc21
COc1cc(/C=C2\CCc3c(cnn3C)C2=O)ccc1OC(F)F FC(F)[*:1] COc1cc(/C=C2\CCc3c(cnn3C)C2=O)ccc1O[*:1]
COc1cc(/C=C2\CCc3c(cnn3C)C2=O)ccc1OC(F)F FC(F)O[*:1] COc1cc(/C=C2\CCc3c(cnn3C)C2=O)ccc1[*:1]
CCn1ncnc1[C@@H](NC(=O)CCc1scnc1C)C1CC1 CCn1ncnc1[*:1] Cc1ncsc1CCC(=O)N[C@@H](C1CC1)[*:1]
CCn1ncnc1[C@@H](NC(=O)CCc1scnc1C)C1CC1 Cc1ncsc1C[*:1] CCn1ncnc1[C@@H](NC(=O)C[*:1])C1CC1
CCn1ncnc1[C@@H](NC(=O)CCc1scnc1C)C1CC1 Cc1ncsc1[*:1] CCn1ncnc1[C@@H](NC(=O)CC[*:1])C1CC1
CCn1ncnc1[C@@H](NC(=O)CCc1scnc1C)C1CC1 C1CC1[*:1] CCn1ncnc1[C@@H](NC(=O)CCc1scnc1C)[*:1]
C=C(Cl)CSc1nnc(SCc2ccc(OC)cc2)s1 C=C(Cl)C[*:1] COc1ccc(cc1)CSc1nnc(S[*:1])s1
C=C(Cl)CSc1nnc(SCc2ccc(OC)cc2)s1 C=C(Cl)[*:1] COc1ccc(cc1)CSc1nnc(SC[*:1])s1
C=C(Cl)CSc1nnc(SCc2ccc(OC)cc2)s1 C=C(Cl)CS[*:1] COc1ccc(cc1)CSc1nnc(s1)[*:1]
CC[C@H]1CO[C@H](C)CN1[C@@H]1CC[C@]([NH2+]C(C)C)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@H]1CO[C@H](C)CN1[C@@H]1CC[C@@](C1)([NH2+]C(C)C)[*:1]
CC[C@H]1CO[C@H](C)CN1[C@@H]1CC[C@]([NH2+]C(C)C)(C(=O)[O-])C1 CC(C)[*:1] CC[C@H]1CO[C@H](C)CN1[C@@H]1CC[C@](C1)([NH2+][*:1])C(=O)[O-]
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)NCCC1=CCCCC1 CCS(=O)(=O)[*:1] O=C(NCCC1=CCCCC1)c1cc(Cl)ccc1[*:1]
O=C1C[C@@H]([C@H]2CCCO2)C(=O)N1Cc1ccccc1 C1CO[C@H](C1)[*:1] O=C1C[C@@H](C(=O)N1Cc1ccccc1)[*:1]
O=C1C[C@@H]([C@H]2CCCO2)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N1C[*:1])[C@H]1CCCO1
CSc1nsc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)n1 CSc1nsc(n1)[*:1] Cc1ccc2c(=O)cc(oc2c1C)C(=O)N[*:1]
COc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)c(OC)c1OC Clc1ccc(c(Cl)c1)[*:1] COc1ccc(C(=O)OC[*:1])c(OC)c1OC
COc1ccc(CCC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])N1CCC2(CC1)Nc1ccccc1-n1cccc12
COc1ccc(CCC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 COc1ccc(cc1)CC[*:1] O=C(N1CCC2(CC1)Nc1ccccc1-n1cccc12)[*:1]
COc1ccc(CCC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 COc1ccc(cc1)C[*:1] O=C(C[*:1])N1CCC2(CC1)Nc1ccccc1-n1cccc12
Cc1cccnc1Nc1ccc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)nc1 OC1(CCCCC1)C[*:1] Cc1cccnc1Nc1ccc(nc1)[C@@H]1CCCN1C(=O)[*:1]
Cc1cccnc1Nc1ccc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)nc1 Cc1cccnc1[*:1] O=C(CC1(O)CCCCC1)N1CCC[C@H]1c1ccc(cn1)N[*:1]
Cc1cccnc1Nc1ccc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)nc1 Cc1cccnc1N[*:1] O=C(CC1(O)CCCCC1)N1CCC[C@H]1c1ccc(cn1)[*:1]
Cc1cccnc1Nc1ccc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)nc1 OC1(CCCCC1)[*:1] Cc1cccnc1Nc1ccc(nc1)[C@@H]1CCCN1C(=O)C[*:1]
O=C1CCCCN1CN1CCCC[C@@H]1c1ncon1 c1nc(no1)[*:1] O=C1CCCCN1CN1CCCC[C@H]1[*:1]
CN1C(=O)N[C@H](c2ccc(F)cc2)C2=C1CN(CC(=O)NC1CC1)C2=O O=C(NC1CC1)[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC=21)C[*:1])c1ccc(F)cc1
CN1C(=O)N[C@H](c2ccc(F)cc2)C2=C1CN(CC(=O)NC1CC1)C2=O Fc1ccc(cc1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC(=O)NC3CC3)CC=21)[*:1]
CN1C(=O)N[C@H](c2ccc(F)cc2)C2=C1CN(CC(=O)NC1CC1)C2=O C1CC1[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC(=O)N[*:1])CC=21)c1ccc(F)cc1
CN1C(=O)N[C@H](c2ccc(F)cc2)C2=C1CN(CC(=O)NC1CC1)C2=O O=C(C[*:1])NC1CC1 CN1C(=O)N[C@@H](C2C(=O)N(CC=21)[*:1])c1ccc(F)cc1
COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccccc1Cl Clc1ccccc1[*:1] COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OC[*:1]
COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccccc1Cl Clc1ccccc1CO[*:1] COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1[*:1]
COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccccc1Cl c1ccc(nc1)[*:1] COc1cc(/C=N/NC(=O)[*:1])c(Br)cc1OCc1ccccc1Cl
COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccccc1Cl Clc1ccccc1C[*:1] COc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1O[*:1]
NC(=[NH2+])S[C@@H]1CCO[C@@]2(CCSC2)C1 NC(=[NH2+])S[*:1] C1C[C@H](C[C@]2(CCSC2)O1)[*:1]
Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 Clc1cccc(c1)[*:1] Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(C[*:1])c2ccccc21
Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 Cc1coc(C)c1C(=O)[*:1] O=C1N(Cc2cccc(Cl)c2)c2ccccc2[C@]1(O)C[*:1]
Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 Cc1coc(C)c1[*:1] O=C1N(Cc2cccc(Cl)c2)c2ccccc2[C@]1(O)CC(=O)[*:1]
Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 Clc1cccc(c1)C[*:1] Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(c2ccccc21)[*:1]
CCc1ccc(OCC(=O)Nc2cc(C)c(O)c(C(=O)[O-])c2)cc1 CCc1ccc(cc1)[*:1] Cc1cc(cc(C(=O)[O-])c1O)NC(=O)CO[*:1]
CCc1ccc(OCC(=O)Nc2cc(C)c(O)c(C(=O)[O-])c2)cc1 O=C([O-])[*:1] CCc1ccc(cc1)OCC(=O)Nc1cc(C)c(O)c(c1)[*:1]
COCCN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] COC[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C[*:1]
COCCN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] COCC[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)[*:1]
COCCN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] CC(=O)[*:1] COCCN(C)c1ccc(cc1[N+](=O)[O-])[*:1]
COCCN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COCCN(C)c1ccc(cc1[*:1])C(C)=O
COCCN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] COCCN(C)[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1cc(C(=O)CN2CCOC[C@H]2C#N)c(C)n1CC(F)(F)F FC(F)(F)C[*:1] Cc1cc(C(=O)CN2CCOC[C@H]2C#N)c(C)n1[*:1]
Cc1cc(C(=O)CN2CCOC[C@H]2C#N)c(C)n1CC(F)(F)F FC(F)(F)[*:1] Cc1cc(C(=O)CN2CCOC[C@H]2C#N)c(C)n1C[*:1]
Cc1cc(C(=O)N2CCC3=NN=C(c4ccc(F)c(F)c4)[C@@H]3C2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N1CCC2=NN=C(c3ccc(F)c(F)c3)[C@@H]2C1)[*:1]
Cc1cc(C(=O)N2CCC3=NN=C(c4ccc(F)c(F)c4)[C@@H]3C2)n(C)n1 Fc1ccc(cc1F)[*:1] Cc1cc(C(=O)N2CCC3=NN=C([C@@H]3C2)[*:1])n(C)n1
CCc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 N#Cc1cccnc1[*:1] CCc1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
CCc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 CCc1ccc(cc1)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)[*:1]
CC(C)Oc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cn1 CC(C)O[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NCc1ccc(nc1)[*:1]
CC(C)Oc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cn1 CC(C)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NCc1ccc(nc1)O[*:1]
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[NH+](CC1)[*:1]
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[NH+](CC1)C[*:1]
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[NH+](CC1)CC[*:1]
O=C(Nc1ccccc1OCc1cscn1)c1c(O)cc(Cl)cc1Cl c1nc(cs1)[*:1] O=C(Nc1ccccc1OC[*:1])c1c(O)cc(Cl)cc1Cl
O=C(Nc1ccccc1OCc1cscn1)c1c(O)cc(Cl)cc1Cl c1nc(cs1)CO[*:1] O=C(Nc1ccccc1[*:1])c1c(O)cc(Cl)cc1Cl
O=C(Nc1ccccc1OCc1cscn1)c1c(O)cc(Cl)cc1Cl c1nc(cs1)C[*:1] O=C(Nc1ccccc1O[*:1])c1c(O)cc(Cl)cc1Cl
COC(=O)C[C@]1(O)C(=O)C=C(c2ccccc2)N1c1ccc(OC)cc1 COC(=O)C[*:1] COc1ccc(cc1)N1C(=CC(=O)[C@]1(O)[*:1])c1ccccc1
COC(=O)C[C@]1(O)C(=O)C=C(c2ccccc2)N1c1ccc(OC)cc1 c1ccc(cc1)[*:1] COC(=O)C[C@]1(O)C(=O)C=C(N1c1ccc(cc1)OC)[*:1]
COC(=O)C[C@]1(O)C(=O)C=C(c2ccccc2)N1c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)N1C(=CC(=O)[C@@]1(O)C[*:1])c1ccccc1
COC(=O)C[C@]1(O)C(=O)C=C(c2ccccc2)N1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)C[C@]1(O)C(=O)C=C(c2ccccc2)N1[*:1]
CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 Cc1ccc(cc1)[*:1] CCc1noc(C)c1C(=O)Nc1nc(cs1)[*:1]
CSCC[C@@](C)(O)CNC(=O)C1c2ccccc2Oc2ccccc21 CSC[*:1] C[C@](O)(CNC(=O)C1c2ccccc2Oc2ccccc21)C[*:1]
CSCC[C@@](C)(O)CNC(=O)C1c2ccccc2Oc2ccccc21 CSCC[*:1] C[C@@](O)(CNC(=O)C1c2ccccc2Oc2ccccc21)[*:1]
COc1ccccc1C1(CNC(=O)[C@H]2C[C@H]2c2cnn(C)c2)CCOCC1 Cn1cc(cn1)[*:1] COc1ccccc1C1(CCOCC1)CNC(=O)[C@H]1C[C@@H]1[*:1]
COc1ccccc1C1(CNC(=O)[C@H]2C[C@H]2c2cnn(C)c2)CCOCC1 COc1ccccc1[*:1] Cn1cc(cn1)[C@@H]1C[C@@H]1C(=O)NCC1(CCOCC1)[*:1]
C[C@@H]([NH2+][C@H]1CC[C@H]([NH+](C)C)C1)c1ccco1 c1coc(c1)[*:1] C[C@@H]([NH2+][C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CC(C)Cn1c(-c2csc3c2CC[C@H](C)C3)n[nH]c1=S CC(C)[*:1] C[C@H]1CCc2c(csc2C1)-c1n[nH]c(=S)n1C[*:1]
CC(C)Cn1c(-c2csc3c2CC[C@H](C)C3)n[nH]c1=S CC(C)C[*:1] C[C@H]1CCc2c(csc2C1)-c1n[nH]c(=S)n1[*:1]
C[NH+](CCNS(=O)(=O)CC1CCC1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCNS(=O)(=O)CC1CCC1)[*:1]
C[NH+](CCNS(=O)(=O)CC1CCC1)C1CCCCC1 C1CC(C1)[*:1] C[NH+](CCNS(=O)(=O)C[*:1])C1CCCCC1
C[NH+](CCNS(=O)(=O)CC1CCC1)C1CCCCC1 C1CC(C1)C[*:1] C[NH+](CCNS(=O)(=O)[*:1])C1CCCCC1
C[C@H]1CCCC[C@H]1OCCSc1n[nH]c(=O)n1C[C@@H]1CCCO1 C[C@H]1CCCC[C@@H]1[*:1] O=c1[nH]nc(SCCO[*:1])n1C[C@@H]1CCCO1
C[C@H]1CCCC[C@H]1OCCSc1n[nH]c(=O)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H]1CCCC[C@H]1OCCSc1n[nH]c(=O)n1C[*:1]
C[C@H]1CCCC[C@H]1OCCSc1n[nH]c(=O)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@H]1CCCC[C@H]1OCCSc1n[nH]c(=O)n1[*:1]
CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 CCC[*:1] O=c1c2c3nc4ccccc4nc3n(Cc3ccc(Cl)cc3)c2ncn1[*:1]
CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2[*:1]
CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2C[*:1]
Cc1ccc(-c2cc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)no2)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(on1)[*:1]
Cc1ccc(-c2cc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)no2)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1cc(no1)C(=O)N1Cc2ccccc2C[C@H]1[*:1]
CCOc1c(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)cc1OC CCO[*:1] COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccccc2)c1[*:1]
CCOc1c(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)cc1OC c1ccc(cc1)[*:1] CCOc1c(cc(Cl)cc1OC)C[NH2+][C@@H](C)[*:1]
CCc1n[nH]c([C@@H]2CN(C(=O)CO[C@@H]3CCC[C@H](C)C3)CCO2)n1 CCc1n[nH]c(n1)[*:1] C[C@H]1CCC[C@H](C1)OCC(=O)N1CCO[C@@H](C1)[*:1]
CCc1n[nH]c([C@@H]2CN(C(=O)CO[C@@H]3CCC[C@H](C)C3)CCO2)n1 C[C@H]1CCC[C@H](C1)O[*:1] CCc1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)C[*:1]
CCc1n[nH]c([C@@H]2CN(C(=O)CO[C@@H]3CCC[C@H](C)C3)CCO2)n1 C[C@H]1CCC[C@H](C1)[*:1] CCc1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)CO[*:1]
Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1C O=[N+]([O-])[*:1] Cc1cccc(C(=O)Nc2cc(ccc2F)[*:1])c1C
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCc2ccccn2)cc1 c1ccc(CC[*:1])nc1 CC(C)(C)c1ccc(cc1)-n1ncc2c1CCC[C@H]2NC(=O)[*:1]
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCc2ccccn2)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C(CCc1ccccn1)N[C@@H]1CCCc2c1cnn2[*:1]
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCc2ccccn2)cc1 c1ccc(nc1)[*:1] CC(C)(C)c1ccc(cc1)-n1ncc2c1CCC[C@H]2NC(=O)CC[*:1]
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCc2ccccn2)cc1 CC(C)(C)[*:1] O=C(CCc1ccccn1)N[C@@H]1CCCc2c1cnn2-c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCc2ccccn2)cc1 c1ccc(C[*:1])nc1 CC(C)(C)c1ccc(cc1)-n1ncc2c1CCC[C@H]2NC(=O)C[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)c2)C1 C1CCN(C1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NCc1cc[nH+]c(c1)[*:1]
COc1cc(C(=O)Nc2nnc(CC(C)C)s2)ccc1OC1CCCC1 C1CCC(C1)O[*:1] COc1cc(ccc1[*:1])C(=O)Nc1nnc(CC(C)C)s1
COc1cc(C(=O)Nc2nnc(CC(C)C)s2)ccc1OC1CCCC1 CC(C)C[*:1] COc1cc(ccc1OC1CCCC1)C(=O)Nc1nnc(s1)[*:1]
COc1cc(C(=O)Nc2nnc(CC(C)C)s2)ccc1OC1CCCC1 C1CCC(C1)[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1nnc(CC(C)C)s1
COc1cc(C(=O)Nc2nnc(CC(C)C)s2)ccc1OC1CCCC1 CC(C)[*:1] COc1cc(ccc1OC1CCCC1)C(=O)Nc1nnc(C[*:1])s1
COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccc(C)cc3)c(=O)c21 Cc1ccc(cc1)C[*:1] COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(c(=O)c21)[*:1]
COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccc(C)cc3)c(=O)c21 Cc1ccc(cc1)[*:1] COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(C[*:1])c(=O)c21
COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccc(C)cc3)c(=O)c21 COc1ccc(Br)cc1[*:1] Cc1ccc(cc1)Cn1c(C)cc2OC(N)=C(C#N)[C@@H](c2c1=O)[*:1]
CCc1ccc(CC)c(NC(=O)[C@@H](C)n2cccn2)c1 c1cnn(c1)[*:1] CCc1ccc(CC)c(c1)NC(=O)[C@@H](C)[*:1]
Cc1ccc(CN(C)[C@H]2CS(=O)(=O)c3ccccc32)s1 Cc1ccc(s1)[*:1] CN(C[*:1])[C@H]1CS(=O)(=O)c2ccccc21
C#CCN(C(=O)NCc1ccn(C2CCCC2)n1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(C(=O)NCc1ccn(n1)C1CCCC1)[*:1]
C#CCN(C(=O)NCc1ccn(C2CCCC2)n1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] C#CCN(C(=O)NCc1ccn(n1)[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(C(=O)NCc1ccn(C2CCCC2)n1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(NCc1ccn(n1)C1CCCC1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)OC(=O)CCNC(=O)c1ccnc2ccccc12 CC(C)OC(=O)[*:1] O=C(NCC[*:1])c1ccnc2ccccc12
CC(C)OC(=O)CCNC(=O)c1ccnc2ccccc12 CC(C)OC(=O)C[*:1] O=C(NC[*:1])c1ccnc2ccccc12
CC(C)OC(=O)CCNC(=O)c1ccnc2ccccc12 CC(C)[*:1] O=C(CCNC(=O)c1ccnc2ccccc12)O[*:1]
CCOc1ccccc1Cc1ccc([C@H]2CCCN(C(=O)c3oc(C)nc3C)C2)nc1 CCOc1ccccc1C[*:1] Cc1nc(C)c(o1)C(=O)N1CCC[C@@H](C1)c1ccc(cn1)[*:1]
CCOc1ccccc1Cc1ccc([C@H]2CCCN(C(=O)c3oc(C)nc3C)C2)nc1 CCOc1ccccc1[*:1] Cc1nc(C)c(o1)C(=O)N1CCC[C@@H](C1)c1ccc(cn1)C[*:1]
CCOc1ccccc1Cc1ccc([C@H]2CCCN(C(=O)c3oc(C)nc3C)C2)nc1 CCO[*:1] Cc1nc(C)c(o1)C(=O)N1CCC[C@@H](C1)c1ccc(cn1)Cc1ccccc1[*:1]
CCOc1ccccc1Cc1ccc([C@H]2CCCN(C(=O)c3oc(C)nc3C)C2)nc1 Cc1nc(C)c(o1)[*:1] CCOc1ccccc1Cc1ccc(nc1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(c1ccc(OCC(F)F)nc1)N1CCC(C2CCOCC2)CC1 FC(F)[*:1] O=C(c1ccc(nc1)OC[*:1])N1CCC(CC1)C1CCOCC1
O=C(c1ccc(OCC(F)F)nc1)N1CCC(C2CCOCC2)CC1 C1CC(CCO1)[*:1] O=C(c1ccc(nc1)OCC(F)F)N1CCC(CC1)[*:1]
O=C(c1ccc(OCC(F)F)nc1)N1CCC(C2CCOCC2)CC1 FC(F)CO[*:1] O=C(c1ccc(nc1)[*:1])N1CCC(CC1)C1CCOCC1
O=C(c1ccc(OCC(F)F)nc1)N1CCC(C2CCOCC2)CC1 FC(F)C[*:1] O=C(c1ccc(nc1)O[*:1])N1CCC(CC1)C1CCOCC1
CCc1ccc(CN2C(=O)CC[C@]2(C)C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] CCc1ccc(cc1)CN1C(=O)CC[C@]1(C)C(=O)N[*:1]
CCc1ccc(CN2C(=O)CC[C@]2(C)C(=O)NC2CCCCC2)cc1 CCc1ccc(cc1)[*:1] C[C@@]1(CCC(=O)N1C[*:1])C(=O)NC1CCCCC1
CCCCOc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 CCCC[*:1] Fc1ccccc1N1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
CCCCOc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 CCC[*:1] Fc1ccccc1N1CC[NH+](CC1)Cc1ccc(cc1)OC[*:1]
CCCCOc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] CCCCOc1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
CCCCOc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 CCCCO[*:1] Fc1ccccc1N1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC1CC(NC(=O)CCNC(=O)c2ccc3ccccc3c2)C1 CC1CC(C1)[*:1] O=C(CCNC(=O)c1ccc2ccccc2c1)N[*:1]
CC(C)[C@@H](CNc1nnc(Cl)cc1C(N)=O)Nc1ccccc1 CC(C)[*:1] NC(=O)c1cc(Cl)nnc1NC[C@@H](Nc1ccccc1)[*:1]
CC(C)[C@@H](CNc1nnc(Cl)cc1C(N)=O)Nc1ccccc1 c1ccc(cc1)N[*:1] CC(C)[C@@H](CNc1nnc(Cl)cc1C(N)=O)[*:1]
CC(C)[C@@H](CNc1nnc(Cl)cc1C(N)=O)Nc1ccccc1 NC(=O)[*:1] CC(C)[C@@H](CNc1nnc(Cl)cc1[*:1])Nc1ccccc1
CC(C)[C@@H](CNc1nnc(Cl)cc1C(N)=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](CNc1nnc(Cl)cc1C(N)=O)N[*:1]
O=S1(=O)CC[C@@H](Nc2nccc(Oc3ccc(F)cc3)n2)C1 Fc1ccc(cc1)[*:1] O=S1(=O)CC[C@H](C1)Nc1nccc(n1)O[*:1]
Cc1cc(NC(=O)NC[C@H](C)C[C@@H](C)O)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NC[C@H](C)C[C@@H](C)O
Cc1cc(NC(=O)NC[C@H](C)C[C@@H](C)O)ccc1C(=O)N(C)C C[C@@H](O)[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)NC[C@H](C)C[*:1]
Cc1cc(NC(=O)NC[C@H](C)C[C@@H](C)O)ccc1C(=O)N(C)C C[C@@H](O)C[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)NC[C@H](C)[*:1]
C[C@H]1C[C@H](OC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)C(=O)O1 Oc1ccc(cc1)[*:1] C[C@H]1C[C@H](OC(=O)c2c3CCC(=C[*:1])c3nc3ccccc23)C(=O)O1
O=C1CC[C@H](CNCc2ccc([N+](=O)[O-])c(F)c2)N1 O=[N+]([O-])[*:1] O=C1CC[C@H](CNCc2ccc(c(F)c2)[*:1])N1
O=C1CC[C@H](CNCc2ccc([N+](=O)[O-])c(F)c2)N1 O=C1CC[C@H](N1)[*:1] O=[N+]([O-])c1ccc(cc1F)CNC[*:1]
N#Cc1ccc(N[C@H](c2ccccc2)c2cccc(F)c2)nc1 Fc1cccc(c1)[*:1] N#Cc1ccc(nc1)N[C@H](c1ccccc1)[*:1]
N#Cc1ccc(N[C@H](c2ccccc2)c2cccc(F)c2)nc1 c1ccc(cc1)[*:1] N#Cc1ccc(nc1)N[C@H](c1cccc(F)c1)[*:1]
COc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CC3)cc2c1 Fc1ccc(cc1)[*:1] COc1ccc2nc(Cl)c(cc2c1)CN(C[*:1])C(=O)C1CC1
COc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CC3)cc2c1 Fc1ccc(cc1)C[*:1] COc1ccc2nc(Cl)c(cc2c1)CN(C(=O)C1CC1)[*:1]
COc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CC3)cc2c1 C1CC1[*:1] COc1ccc2nc(Cl)c(cc2c1)CN(Cc1ccc(F)cc1)C(=O)[*:1]
CC(C)c1nc(N[C@@H](C)c2[nH]cc[nH+]2)c2cnn(C)c2n1 CC(C)[*:1] C[C@H](Nc1nc(nc2c1cnn2C)[*:1])c1[nH]cc[nH+]1
CCC(CC)[NH2+]Cc1csc(-c2cccs2)n1 c1csc(c1)[*:1] CCC(CC)[NH2+]Cc1csc(n1)[*:1]
CCC(CC)[NH2+]Cc1csc(-c2cccs2)n1 CCC(CC)[*:1] c1csc(c1)-c1nc(cs1)C[NH2+][*:1]
COCc1cc(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)ncn1 COC[*:1] O=C(Nc1cc(ncn1)[*:1])N1CCC[C@@]2(CC=CCC2)C1
C=CCn1c(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)nnc1[C@H]1CCS(=O)(=O)C1 C=CC[*:1] C[C@H](Sc1nnc([C@H]2CCS(=O)(=O)C2)n1[*:1])C(=O)/C=C1/N(C)c2ccccc2C1(C)C
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 Fc1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 CCOC(=O)[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1)N1CCC[C@H](C1)[*:1]
O=C(c1ccc(Cl)c(NCc2c(F)cccc2Cl)c1)N1CCCCC1 Fc1cccc(Cl)c1[*:1] O=C(c1ccc(Cl)c(c1)NC[*:1])N1CCCCC1
O=C(c1ccc(Cl)c(NCc2c(F)cccc2Cl)c1)N1CCCCC1 O=C(N1CCCCC1)[*:1] Fc1cccc(Cl)c1CNc1cc(ccc1Cl)[*:1]
Cc1cccc(SCc2csc(-c3ccccn3)n2)c1N c1ccc(nc1)[*:1] Cc1cccc(SCc2csc(n2)[*:1])c1N
Cc1ccc2c(c1)[C@@H](NC(=O)c1c(C)cc(C)[nH]c1=O)CC1(CCOCC1)O2 Cc1cc(C)c(c(=O)[nH]1)[*:1] Cc1ccc2OC3(CCOCC3)C[C@H](NC(=O)[*:1])c2c1
COC(=O)c1cncc(C(=O)NCc2ccccc2-n2cccn2)c1 c1cnn(c1)[*:1] COC(=O)c1cncc(c1)C(=O)NCc1ccccc1[*:1]
COC(=O)c1cncc(C(=O)NCc2ccccc2-n2cccn2)c1 COC(=O)[*:1] O=C(NCc1ccccc1-n1cccn1)c1cncc(c1)[*:1]
Clc1ncccc1NCc1ccccc1C1CC1 C1CC1[*:1] Clc1ncccc1NCc1ccccc1[*:1]
O=C(Nc1ccc(CCN2CC[NH2+]CC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)CCN1CC[NH2+]CC1)[*:1]
C[C@@H]1CCC[C@@H]([C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1CCC[C@H](C1)[C@@H](Cc1ccc(Cl)cc1)[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@](C)(CO)C2CCCCC2)n1 C1CCC(CC1)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)N[C@](C)(CO)[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@](C)(CO)C2CCCCC2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)N[C@](C)(CO)C1CCCCC1)[*:1]
CC(=O)N[C@H](CC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] CC(=O)N[C@H](CC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CC(=O)N[C@H](CC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)c1c(F)cccc1F CC(=O)N[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)C[C@H](c1c(F)cccc1F)[*:1]
C[C@H](OCc1ccccc1)C(=O)N1CCOC(C)(C)C1 c1ccc(cc1)[*:1] C[C@H](OC[*:1])C(=O)N1CCOC(C)(C)C1
CC(C)(CNC(=O)c1cn(C2C[NH2+]C2)nn1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNC(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
C[NH2+][C@H](COC(C)C)c1cscc1C CC(C)[*:1] C[NH2+][C@H](CO[*:1])c1cscc1C
C[NH2+][C@H](COC(C)C)c1cscc1C CC(C)O[*:1] C[NH2+][C@H](C[*:1])c1cscc1C
CCCCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)s1 CCCCc1nnc(s1)[*:1] Cn1cc(cc1C(=O)N[*:1])S(=O)(=O)N1CCCCC1
CCCCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)s1 O=S(=O)(N1CCCCC1)[*:1] CCCCc1nnc(NC(=O)c2cc(cn2C)[*:1])s1
CCCCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)s1 CCCC[*:1] Cn1cc(cc1C(=O)Nc1nnc(s1)[*:1])S(=O)(=O)N1CCCCC1
CCCCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)s1 CCC[*:1] Cn1cc(cc1C(=O)Nc1nnc(C[*:1])s1)S(=O)(=O)N1CCCCC1
Cc1csc(COc2ccc(OCC(F)(F)F)cc2)n1 FC(F)(F)CO[*:1] Cc1csc(COc2ccc(cc2)[*:1])n1
Cc1csc(COc2ccc(OCC(F)(F)F)cc2)n1 FC(F)(F)C[*:1] Cc1csc(COc2ccc(cc2)O[*:1])n1
Cc1csc(COc2ccc(OCC(F)(F)F)cc2)n1 Cc1csc(n1)[*:1] FC(F)(F)COc1ccc(cc1)OC[*:1]
Cc1csc(COc2ccc(OCC(F)(F)F)cc2)n1 FC(F)(F)[*:1] Cc1csc(COc2ccc(cc2)OC[*:1])n1
C=CCNC(=O)c1ccccc1NC(=O)CCc1c(C)nc(C)[nH]c1=O C=CCNC(=O)[*:1] Cc1nc(C)c(CCC(=O)Nc2ccccc2[*:1])c(=O)[nH]1
C=CCNC(=O)c1ccccc1NC(=O)CCc1c(C)nc(C)[nH]c1=O C=CC[*:1] Cc1nc(C)c(CCC(=O)Nc2ccccc2C(=O)N[*:1])c(=O)[nH]1
COCC(=O)N1CCC[C@H](c2cc(N3CCOCC3)nc(C)[nH+]2)C1 COC[*:1] Cc1nc(cc([nH+]1)[C@H]1CCCN(C1)C(=O)[*:1])N1CCOCC1
COCC(=O)N1CCC[C@H](c2cc(N3CCOCC3)nc(C)[nH+]2)C1 C1CN(CCO1)[*:1] COCC(=O)N1CCC[C@@H](C1)c1cc(nc(C)[nH+]1)[*:1]
CC(C)n1ccc(C(=O)O[C@@H]2CSCc3ccccc32)n1 CC(C)[*:1] O=C(O[C@@H]1CSCc2ccccc21)c1ccn(n1)[*:1]
Nc1ccc(F)cc1SCCOc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Nc1ccc(F)cc1SCCOc1ccc(cc1)[*:1]
Cc1ccc(C)c([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)c1 c1ccc2sc(nc2c1)[*:1] Cc1ccc(C)c(c1)[C@H]1CC(=O)Nc2c1cnn2[*:1]
Cc1ccc(C)c([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)c1 Cc1ccc(C)c(c1)[*:1] O=C1C[C@@H](c2cnn(-c3nc4ccccc4s3)c2N1)[*:1]
CC(C)c1c(N)nnn1[C@H]1CCOC1 CC(C)[*:1] Nc1nnn(c1[*:1])[C@H]1CCOC1
Cc1ccc(NC(=O)CN(C)CC2=NC(=O)[C@@H]3SC=CC3=N2)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])CC1=NC(=O)[C@@H]2SC=CC2=N1
CCCCn1c([C@@H](C)NC(=O)c2ccc(Br)cc2)nc2ccccc21 Brc1ccc(cc1)[*:1] CCCCn1c(nc2ccccc21)[C@@H](C)NC(=O)[*:1]
CCCCn1c([C@@H](C)NC(=O)c2ccc(Br)cc2)nc2ccccc21 CCC[*:1] C[C@@H](NC(=O)c1ccc(Br)cc1)c1nc2ccccc2n1C[*:1]
CCCCn1c([C@@H](C)NC(=O)c2ccc(Br)cc2)nc2ccccc21 CCCC[*:1] C[C@@H](NC(=O)c1ccc(Br)cc1)c1nc2ccccc2n1[*:1]
Cn1nccc1-c1nnc(NC(=O)C2CCN(S(C)(=O)=O)CC2)o1 Cn1nccc1[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1nnc(o1)[*:1]
O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc2c(c1)COC2 O=C1CCCN1[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccc2COCc2c1
CCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 CCC[*:1] O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[*:1]
CN(CCC(=O)OC(C)(C)C)Cc1n[nH]c(=O)[nH]1 O=c1[nH]nc([nH]1)[*:1] CN(CCC(=O)OC(C)(C)C)C[*:1]
CN(CCC(=O)OC(C)(C)C)Cc1n[nH]c(=O)[nH]1 CC(C)(C)[*:1] CN(CCC(=O)O[*:1])Cc1n[nH]c(=O)[nH]1
Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(NC(=O)C5CC5)nc4)c(=O)c23)cc1 Cc1ccc(cc1)[*:1] O=C(CCn1cnc2scc(c2c1=O)[*:1])Nc1ccc(nc1)NC(=O)C1CC1
Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(NC(=O)C5CC5)nc4)c(=O)c23)cc1 O=C(N[*:1])C1CC1 Cc1ccc(cc1)-c1csc2ncn(CCC(=O)Nc3ccc(nc3)[*:1])c(=O)c12
Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(NC(=O)C5CC5)nc4)c(=O)c23)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1csc2ncn(CCC(=O)Nc3ccc(nc3)NC(=O)[*:1])c(=O)c12
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCCCCC1 O=[N+]([O-])[*:1] O=C(Cn1cc(ccc1=O)[*:1])N1CCCCCCC1
CCCN(C[C@@H]1CCCCO1)C(=O)Cc1cc(C)on1 CCC[*:1] Cc1cc(CC(=O)N(C[C@@H]2CCCCO2)[*:1])no1
CCCN(C[C@@H]1CCCCO1)C(=O)Cc1cc(C)on1 Cc1cc(no1)[*:1] CCCN(C[C@@H]1CCCCO1)C(=O)C[*:1]
CCCN(C[C@@H]1CCCCO1)C(=O)Cc1cc(C)on1 C1CC[C@H](OC1)[*:1] CCCN(C[*:1])C(=O)Cc1cc(C)on1
CC(C)c1nc(C(=O)NCc2cn[nH]c2)n[nH]1 CC(C)[*:1] O=C(NCc1cn[nH]c1)c1n[nH]c(n1)[*:1]
CC(C)c1nc(C(=O)NCc2cn[nH]c2)n[nH]1 c1n[nH]cc1[*:1] CC(C)c1nc(n[nH]1)C(=O)NC[*:1]
CCOC(=O)N1CCN(C(=O)c2cc(OCC)c3ccoc3c2)CC1 CCO[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cc(c2ccoc2c1)[*:1]
CC(C)(C)c1cc(-n2cnc(C(=O)[O-])c2)nc(Cl)n1 CC(C)(C)[*:1] O=C([O-])c1cn(cn1)-c1cc(nc(Cl)n1)[*:1]
CC(C)(C)c1cc(-n2cnc(C(=O)[O-])c2)nc(Cl)n1 O=C([O-])[*:1] CC(C)(C)c1cc(nc(Cl)n1)-n1cnc(c1)[*:1]
Cc1ccc(NC(=O)c2cccnc2C(=O)[O-])nc1 O=C([O-])[*:1] Cc1ccc(nc1)NC(=O)c1cccnc1[*:1]
CC(C)[C@H](O)CCNC(=O)N[C@@H]1CCc2c(O)cccc21 CC(C)[*:1] O=C(NCC[C@@H](O)[*:1])N[C@@H]1CCc2c(O)cccc21
CC(C)[C@H](O)CCNC(=O)N[C@@H]1CCc2c(O)cccc21 CC(C)[C@H](O)CC[*:1] O=C(N[C@@H]1CCc2c(O)cccc21)N[*:1]
CC(C)[C@H](O)CCNC(=O)N[C@@H]1CCc2c(O)cccc21 CC(C)[C@H](O)[*:1] O=C(NCC[*:1])N[C@@H]1CCc2c(O)cccc21
CC(C)[C@H](O)CCNC(=O)N[C@@H]1CCc2c(O)cccc21 CC(C)[C@H](O)C[*:1] O=C(NC[*:1])N[C@@H]1CCc2c(O)cccc21
O=C(c1ccncc1)N1CCC(Nc2ccc3cc[nH]c3n2)CC1 c1cc(ccn1)[*:1] O=C(N1CCC(CC1)Nc1ccc2cc[nH]c2n1)[*:1]
CC(C)c1nc([C@H](C)Nc2cc(C3CC3)nc3ncnn23)cs1 CC(C)[*:1] C[C@H](Nc1cc(nc2ncnn12)C1CC1)c1csc(n1)[*:1]
CC(C)c1nc([C@H](C)Nc2cc(C3CC3)nc3ncnn23)cs1 C1CC1[*:1] CC(C)c1nc(cs1)[C@H](C)Nc1cc(nc2ncnn12)[*:1]
O=C(Nc1cccc(F)c1F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(Nc1cccc(F)c1F)N[C@@H](C[*:1])c1ccc(F)cc1
O=C(Nc1cccc(F)c1F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] O=C(Nc1cccc(F)c1F)N[C@@H](c1ccc(F)cc1)[*:1]
O=C(Nc1cccc(F)c1F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1F)N[C@@H](CC(F)(F)F)[*:1]
O=C(Nc1cccc(F)c1F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 Fc1cccc(c1F)[*:1] O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N[*:1]
C[C@H]1C[C@@H](N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C2CC2)CC(C)(C)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CC(C)(C)C1)N(C(=O)C1CCN(CC1)S(=O)(=O)[*:1])C1CC1
C[C@H]1C[C@@H](N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C2CC2)CC(C)(C)C1 C1CC1[*:1] C[C@H]1C[C@H](CC(C)(C)C1)N(C(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1)[*:1]
CC(=O)OCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] CC(=O)OCc1ccc(o1)[*:1]
CC(=O)OCc1ccc(C(=O)[O-])o1 CC(=O)O[*:1] O=C([O-])c1ccc(C[*:1])o1
CCN(CC)S(=O)(=O)CC(=O)Nc1ccc2oc(C3CC3)nc2c1 C1CC1[*:1] CCN(CC)S(=O)(=O)CC(=O)Nc1ccc2oc(nc2c1)[*:1]
CCN(CC)S(=O)(=O)CC(=O)Nc1ccc2oc(C3CC3)nc2c1 CCN(CC)S(=O)(=O)[*:1] O=C(C[*:1])Nc1ccc2oc(nc2c1)C1CC1
CC[C@H](CO)NC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 CC[C@H](CO)[*:1] COc1ccc(cc1)[C@H](NC(=O)N[*:1])C1CC1
CC[C@H](CO)NC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 C1CC1[*:1] CC[C@H](CO)NC(=O)N[C@@H](c1ccc(cc1)OC)[*:1]
CC(C)(C)C(=O)NCCC/C([O-])=N/S(=O)(=O)C1CCCC1 CC(C)(C)[*:1] O=C(NCCC/C([O-])=N/S(=O)(=O)C1CCCC1)[*:1]
CC(C)(C)C(=O)NCCC/C([O-])=N/S(=O)(=O)C1CCCC1 CC(C)(C)C(=O)N[*:1] O=S(=O)(/N=C(\[O-])CCC[*:1])C1CCCC1
CC(C)(C)C(=O)NCCC/C([O-])=N/S(=O)(=O)C1CCCC1 C1CCC(C1)[*:1] CC(C)(C)C(=O)NCCC/C([O-])=N/S(=O)(=O)[*:1]
CCOC(=O)c1sc(N=C(N)N)nc1-c1ccc(OC)cc1 NC(N)=N[*:1] CCOC(=O)c1sc(nc1-c1ccc(cc1)OC)[*:1]
CCOC(=O)c1sc(N=C(N)N)nc1-c1ccc(OC)cc1 CCOC(=O)[*:1] COc1ccc(cc1)-c1nc(N=C(N)N)sc1[*:1]
O=C(Nc1ccccc1-c1ccccc1)c1ccc[n+]([O-])c1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc[n+]([O-])c1
O=C(Nc1ccccc1-c1ccccc1)c1ccc[n+]([O-])c1 [O-][n+]1cccc(c1)[*:1] O=C(Nc1ccccc1-c1ccccc1)[*:1]
O=C(CN1CCCOC1=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 O=C1OCCCN1[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
O=C(CN1CCCOC1=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 O=C1OCCCN1C[*:1] O=C(N1CCC[C@H](C1)c1nnc2CCCCCn21)[*:1]
CCC(C)(C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] CCC(C)(C)[*:1] CSc1ccc(c(c1)C(=O)N[*:1])[N+](=O)[O-]
CCC(C)(C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCC(C)(C)NC(=O)c1cc(ccc1[*:1])SC
Cc1noc([C@@H]2CCCN(C(=O)c3ccnc(OC4CCC4)c3)C2)n1 C1CC(C1)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C(=O)c1ccnc(c1)O[*:1]
Cc1noc([C@@H]2CCCN(C(=O)c3ccnc(OC4CCC4)c3)C2)n1 C1CC(C1)O[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C(=O)c1ccnc(c1)[*:1]
Cc1noc([C@@H]2CCCN(C(=O)c3ccnc(OC4CCC4)c3)C2)n1 Cc1noc(n1)[*:1] O=C(c1ccnc(c1)OC1CCC1)N1CCC[C@H](C1)[*:1]
COC(=O)[C@H]([NH2+]CC1CC1)c1ccc(C2CC2)cc1 C1CC1[*:1] COC(=O)[C@H]([NH2+]CC1CC1)c1ccc(cc1)[*:1]
COC(=O)[C@H]([NH2+]CC1CC1)c1ccc(C2CC2)cc1 C1CC1[*:1] COC(=O)[C@H]([NH2+]C[*:1])c1ccc(cc1)C1CC1
COC(=O)[C@H]([NH2+]CC1CC1)c1ccc(C2CC2)cc1 C1CC1C[*:1] COC(=O)[C@H]([NH2+][*:1])c1ccc(cc1)C1CC1
COC(=O)[C@H]([NH2+]CC1CC1)c1ccc(C2CC2)cc1 COC(=O)[*:1] c1cc(ccc1C1CC1)[C@@H]([NH2+]CC1CC1)[*:1]
COc1ccc(OC)c(CCC(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c1 Cc1nc(n[nH]1)[*:1] COc1ccc(OC)c(c1)CCC(=O)Nc1cccc(c1)[*:1]
O=C(NC1CC1)c1cnc(Cl)c(Cl)c1 C1CC1[*:1] O=C(N[*:1])c1cnc(Cl)c(Cl)c1
CCNc1cccc(C[NH+]2CCCC2)c1 CCN[*:1] c1cc(cc(c1)[*:1])C[NH+]1CCCC1
CCc1nn(C)c(OC)c1CNc1nn2cc(C(C)(C)C)nc2s1 CC(C)(C)[*:1] CCc1nn(C)c(OC)c1CNc1nn2cc(nc2s1)[*:1]
CC1(C)CN(CCNS(=O)(=O)c2ccccc2)CC[S@@]1=O c1ccc(cc1)[*:1] CC1(C)CN(CCNS(=O)(=O)[*:1])CC[S@@]1=O
CCc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 CCc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
CCc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1nc(CCNC(=O)C(=O)Nc2ccnn2C(C)(C)C)sc1C Cc1nc(sc1C)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)NCC[*:1]
Cc1nc(CCNC(=O)C(=O)Nc2ccnn2C(C)(C)C)sc1C CC(C)(C)[*:1] Cc1nc(CCNC(=O)C(=O)Nc2ccnn2[*:1])sc1C
Cc1nc(CCNC(=O)C(=O)Nc2ccnn2C(C)(C)C)sc1C Cc1nc(C[*:1])sc1C CC(C)(C)n1nccc1NC(=O)C(=O)NC[*:1]
CN(C(=O)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1)C1CCCCC1 Fc1ccc(cc1)[*:1] CN(C(=O)[C@H]1CCCN(C1)c1ncnc2onc(c12)[*:1])C1CCCCC1
CN(C(=O)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1)C1CCCCC1 CN(C(=O)[*:1])C1CCCCC1 Fc1ccc(cc1)-c1noc2ncnc(c12)N1CCC[C@@H](C1)[*:1]
CN(C(=O)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)[C@H]1CCCN(C1)c1ncnc2onc(-c3ccc(F)cc3)c12)[*:1]
O=C(NCc1ccco1)C(=O)N1CCCCC1 c1coc(c1)[*:1] O=C(NC[*:1])C(=O)N1CCCCC1
Cc1ccc(-c2n[nH]cc2CN2CC[C@H]([NH+]3CCCC3)C2)cc1 Cc1ccc(cc1)[*:1] c1[nH]nc(c1CN1CC[C@@H](C1)[NH+]1CCCC1)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)N1CCO[C@@H](COc2cccc(C(F)(F)F)c2)C1 Clc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)N1CCO[C@@H](COc2cccc(c2)C(F)(F)F)C1
C[C@@H](Oc1ccccc1Cl)C(=O)N1CCO[C@@H](COc2cccc(C(F)(F)F)c2)C1 FC(F)(F)c1cccc(c1)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)N1CCO[C@@H](CO[*:1])C1
C[C@@H](Oc1ccccc1Cl)C(=O)N1CCO[C@@H](COc2cccc(C(F)(F)F)c2)C1 Clc1ccccc1O[*:1] C[C@@H](C(=O)N1CCO[C@@H](COc2cccc(c2)C(F)(F)F)C1)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)N1CCO[C@@H](COc2cccc(C(F)(F)F)c2)C1 C[C@@H](Oc1ccccc1Cl)[*:1] O=C(N1CCO[C@@H](COc2cccc(c2)C(F)(F)F)C1)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)N1CCO[C@@H](COc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)N1CCO[C@@H](COc2cccc(c2)[*:1])C1
O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(C[C@@H]1CSc2nc3CCCCc3c(=O)n21)N1CCN(CC1)C(=O)[*:1]
CC[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)CC1 C[C@@H](c1ccccc1)[*:1] CC[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)N(C2)[*:1])CC1
CC[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)N(C2)[C@@H](C)[*:1])CC1
O=C(c1ccsc1)N1CCN(C(=O)c2cnc3ccoc3c2)CC1 c1cc(cs1)[*:1] O=C(c1cnc2ccoc2c1)N1CCN(CC1)C(=O)[*:1]
CN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)c2ccccc21 O=[N+]([O-])[*:1] CN1CCN(C(=O)CCc2cccc(c2)[*:1])c2ccccc21
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCc3ccccc3C2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccccc1NS(=O)(=O)[*:1])N1CCc2ccccc2C1
CC1CCN(c2ccc(CNC(=O)NCC(=O)N3CCCC3)c[nH+]2)CC1 O=C(C[*:1])N1CCCC1 CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
CC1CCN(c2ccc(CNC(=O)NCC(=O)N3CCCC3)c[nH+]2)CC1 O=C(N1CCCC1)[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)NC[*:1]
CC1CCN(c2ccc(CNC(=O)NCC(=O)N3CCCC3)c[nH+]2)CC1 CC1CCN(CC1)[*:1] O=C(NCC(=O)N1CCCC1)NCc1ccc([nH+]c1)[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)NC1CCCC1 CC(C)[*:1] O=C(Nc1cc(F)ccc1O[*:1])NC1CCCC1
CC(C)Oc1ccc(F)cc1NC(=O)NC1CCCC1 CC(C)O[*:1] O=C(Nc1cc(F)ccc1[*:1])NC1CCCC1
CC(C)Oc1ccc(F)cc1NC(=O)NC1CCCC1 C1CCC(C1)[*:1] CC(C)Oc1ccc(F)cc1NC(=O)N[*:1]
Cc1ccn2/c(=N/C(=O)c3ccc(OCC4CC4)cc3)[nH]nc2c1 C1CC1CO[*:1] Cc1ccn2/c(=N/C(=O)c3ccc(cc3)[*:1])[nH]nc2c1
Cc1ccn2/c(=N/C(=O)c3ccc(OCC4CC4)cc3)[nH]nc2c1 C1CC1C[*:1] Cc1ccn2/c(=N/C(=O)c3ccc(cc3)O[*:1])[nH]nc2c1
Cc1ccn2/c(=N/C(=O)c3ccc(OCC4CC4)cc3)[nH]nc2c1 C1CC1[*:1] Cc1ccn2/c(=N/C(=O)c3ccc(cc3)OC[*:1])[nH]nc2c1
CC[C@H](Nc1cc(C(F)(F)F)nc2ncnn12)c1cc(F)ccc1F FC(F)(F)[*:1] CC[C@H](Nc1cc(nc2ncnn12)[*:1])c1cc(F)ccc1F
CC[C@H](Nc1cc(C(F)(F)F)nc2ncnn12)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@H](Nc1cc(nc2ncnn12)C(F)(F)F)[*:1]
CC(C)C(=O)/C(C#N)=c1\s/c(=C\c2c(F)cccc2F)c(=O)n1C1CC1 C1CC1[*:1] CC(C)C(=O)/C(C#N)=c1\s/c(=C\c2c(F)cccc2F)c(=O)n1[*:1]
CC(C)C(=O)/C(C#N)=c1\s/c(=C\c2c(F)cccc2F)c(=O)n1C1CC1 CC(C)[*:1] N#C/C(C(=O)[*:1])=c1/s/c(=C\c2c(F)cccc2F)c(=O)n1C1CC1
CC(C)C(=O)/C(C#N)=c1\s/c(=C\c2c(F)cccc2F)c(=O)n1C1CC1 CC(C)C(=O)[*:1] N#CC(=c1s/c(=C\c2c(F)cccc2F)c(=O)n1C1CC1)[*:1]
CC(C)C(=O)/C(C#N)=c1\s/c(=C\c2c(F)cccc2F)c(=O)n1C1CC1 Fc1cccc(F)c1[*:1] CC(C)C(=O)/C(C#N)=c1\sc(=C[*:1])c(=O)n1C1CC1
CCOc1ccc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)nc1 CCO[*:1] O=S(=O)(c1cccnc1)N1CCN(CC1)Cc1ccc(cn1)[*:1]
CCOc1ccc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)nc1 c1cncc(c1)[*:1] CCOc1ccc(CN2CCN(CC2)S(=O)(=O)[*:1])nc1
C[C@@H](O)[C@@H](N1CCN(CCO)CC1)S(=O)(=O)[O-] C[C@@H](O)[*:1] O=S(=O)([O-])[C@H](N1CCN(CCO)CC1)[*:1]
C[C@@H](O)[C@@H](N1CCN(CCO)CC1)S(=O)(=O)[O-] O=S(=O)([O-])[*:1] C[C@@H](O)[C@@H](N1CCN(CCO)CC1)[*:1]
C[C@@H](O)[C@@H](N1CCN(CCO)CC1)S(=O)(=O)[O-] OCC[*:1] C[C@@H](O)[C@@H](N1CCN(CC1)[*:1])S(=O)(=O)[O-]
Cc1nc(-c2cccc(C(=O)OCC(F)(F)F)c2)cs1 Cc1nc(cs1)[*:1] O=C(OCC(F)(F)F)c1cccc(c1)[*:1]
Cc1nc(-c2cccc(C(=O)OCC(F)(F)F)c2)cs1 FC(F)(F)[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)OC[*:1]
Cc1nc(-c2cccc(C(=O)OCC(F)(F)F)c2)cs1 FC(F)(F)C[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)O[*:1]
C[C@@H]1COCCN1c1nccc(OCc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@@H]1COCCN1c1nccc(n1)O[*:1]
C[C@@H]1COCCN1c1nccc(OCc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H]1COCCN1c1nccc(n1)OC[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N1CCN(CC1)c1nnnn1[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1csc(C#CCO)c1 OCC#C[*:1] COC(=O)[C@@H](CC(C)C)NC(=O)c1csc(c1)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1csc(C#CCO)c1 CC(C)C[*:1] COC(=O)[C@@H](NC(=O)c1csc(C#CCO)c1)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1csc(C#CCO)c1 COC(=O)[*:1] CC(C)C[C@@H](NC(=O)c1csc(C#CCO)c1)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1csc(C#CCO)c1 CC(C)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)c1csc(C#CCO)c1
O=C([O-])Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc(cc1)N1C(=O)c2ccccc2C1=O
O=C([O-])Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 O=C([O-])Cc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)N1C(=O)c2ccccc2C1=O
O=C([O-])Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 O=C([O-])C[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)N1C(=O)c2ccccc2C1=O
CC[NH2+][C@H](CSC)[C@H]1CCO[C@]2(CCOC2)C1 CSC[*:1] CC[NH2+][C@H]([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
COc1cc(CNc2ncc(-c3cnccn3)c([C@@H]3CCCO3)n2)cc(OC)c1 c1cnc(cn1)[*:1] COc1cc(cc(c1)OC)CNc1ncc(c(n1)[C@@H]1CCCO1)[*:1]
Cc1ccc2c(C(=O)N(C)Cc3cccnc3)cc(C3=CN=NC3)nc2c1C c1cncc(c1)C[*:1] Cc1ccc2c(cc(nc2c1C)C1=CN=NC1)C(=O)N(C)[*:1]
Cc1ccc2c(C(=O)N(C)Cc3cccnc3)cc(C3=CN=NC3)nc2c1C c1cncc(c1)[*:1] Cc1ccc2c(cc(nc2c1C)C1=CN=NC1)C(=O)N(C)C[*:1]
CC1(C)Cc2cc(C[NH+]3CCC(N4CCCC4=O)CC3)ccc2O1 O=C1CCCN1[*:1] CC1(C)Cc2cc(ccc2O1)C[NH+]1CCC(CC1)[*:1]
CC[NH+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1cccs1 c1csc(c1)C[*:1] CC[NH+](CC(=O)Nc1ccc2OCOc2c1)[*:1]
CC[NH+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1cccs1 c1csc(c1)[*:1] CC[NH+](CC(=O)Nc1ccc2OCOc2c1)C[*:1]
CCCNc1ncnc(Nc2ccc(OC)cc2)c1N CCCN[*:1] COc1ccc(cc1)Nc1ncnc(c1N)[*:1]
CCCNc1ncnc(Nc2ccc(OC)cc2)c1N CCC[*:1] COc1ccc(cc1)Nc1ncnc(N[*:1])c1N
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 Fc1ccc(cc1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21)c1ccc(F)cc1
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 O=[N+]([O-])c1cccc(c1)[*:1] O=C1[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@@H](C(=O)[*:1])[C@@H]2C(=O)N1c1ccc(F)cc1
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 O=C(c1cccc(c1)[N+](=O)[O-])[*:1] O=C1[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H]([C@@H]2C(=O)N1c1ccc(F)cc1)[*:1]
CCCS(=O)(=O)Sc1ccc([N+](=O)[O-])cc1 CCC[*:1] O=[N+]([O-])c1ccc(cc1)SS(=O)(=O)[*:1]
CCCS(=O)(=O)Sc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCCS(=O)(=O)Sc1ccc(cc1)[*:1]
COc1ccc(OC)c(S(=O)(=O)N2CCN=C2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N1CCN=C1[*:1]
CNC(=O)c1ccc(CS(=O)(=O)c2nc(-c3ccccc3)cs2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)CS(=O)(=O)c1nc(cs1)[*:1]
CNC(=O)c1ccc(CS(=O)(=O)c2nc(-c3ccccc3)cs2)cc1 CNC(=O)[*:1] O=S(=O)(Cc1ccc(cc1)[*:1])c1nc(cs1)-c1ccccc1
CC1=C[C@H](c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)o2)N=N1 C1CCC(CC1)[*:1] CC1=C[C@@H](N=N1)c1ccc(o1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC1=C[C@H](c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)o2)N=N1 O=C(NC1CCCCC1)[*:1] CC1=C[C@@H](N=N1)c1ccc(o1)S(=O)(=O)N1CCC(CC1)[*:1]
COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 COc1ccc(F)cc1[*:1] CC(C)CN1C(=O)C(C)(C)COc2ccc(cc21)NS(=O)(=O)[*:1]
COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 CC(C)[*:1] COc1ccc(F)cc1S(=O)(=O)Nc1ccc2OCC(C)(C)C(=O)N(C[*:1])c2c1
COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 CC(C)C[*:1] COc1ccc(F)cc1S(=O)(=O)Nc1ccc2OCC(C)(C)C(=O)N(c2c1)[*:1]
Cn1cc(Cl)c(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)n1 Cn1cc(Cl)c(n1)[*:1] O=C(N1CCC[C@@H](C1)c1cc2ccccc2cn1)[*:1]
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCCCCCC1 CSCC[*:1] O=C(N[C@H](C(=O)N1CCCCCCC1)[*:1])c1ccccc1Br
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCCCCCC1 CSC[*:1] O=C(N[C@@H](C[*:1])C(=O)N1CCCCCCC1)c1ccccc1Br
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCCCCCC1 Brc1ccccc1[*:1] CSCC[C@H](NC(=O)[*:1])C(=O)N1CCCCCCC1
CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cccc(O)c1 C1CC1[*:1] CC[C@H]1C[NH2+][C@](C)(CN1Cc1cccc(O)c1)[*:1]
CC[C@H](C(=O)OC1CN(c2nc3ccc(F)cc3s2)C1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)OC1CN(C1)c1nc2ccc(F)cc2s1)[*:1]
COc1ccc(C(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1 C1CCN(CC1)[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1ccc(nn1)[*:1]
COc1ccc(C(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1ccc(nn1)N1CCCCC1)[*:1]
CC(C)(C)c1ccc(SCC(=O)NCCc2n[nH]c(=O)[nH]2)cc1 O=c1[nH]nc([nH]1)[*:1] CC(C)(C)c1ccc(cc1)SCC(=O)NCC[*:1]
CC(C)(C)c1ccc(SCC(=O)NCCc2n[nH]c(=O)[nH]2)cc1 O=c1[nH]nc(C[*:1])[nH]1 CC(C)(C)c1ccc(cc1)SCC(=O)NC[*:1]
CC(C)(C)c1ccc(SCC(=O)NCCc2n[nH]c(=O)[nH]2)cc1 CC(C)(C)[*:1] O=C(CSc1ccc(cc1)[*:1])NCCc1n[nH]c(=O)[nH]1
CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)c1ccccc1 CCC[*:1] CC[C@@H](C(=O)Nc1ccccc1C(=O)N[*:1])c1ccccc1
CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)c1ccccc1 CCCNC(=O)[*:1] CC[C@@H](C(=O)Nc1ccccc1[*:1])c1ccccc1
CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)c1ccccc1 c1ccc(cc1)[*:1] CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)[*:1]
CCOc1ccc(N2C(=O)[C@H]3CC=C[C@@H](C)[C@@H]3C2=O)cc1 CCO[*:1] C[C@@H]1C=CC[C@@H]2C(=O)N(C(=O)[C@H]21)c1ccc(cc1)[*:1]
COc1cccc(OCCNC(=O)Nc2ccccc2C(F)(F)F)c1 COc1cccc(c1)[*:1] O=C(NCCO[*:1])Nc1ccccc1C(F)(F)F
COc1cccc(OCCNC(=O)Nc2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] COc1cccc(c1)OCCNC(=O)Nc1ccccc1[*:1]
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1 Clc1ccccc1[*:1] N#C/C(=C\c1ccc(o1)[*:1])C(=O)Nc1ccccc1
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1ccc(o1)-c1ccccc1Cl)C(=O)N[*:1]
O=C([O-])c1ccccc1OCC[S@@](=O)c1cccc(F)c1 O=C([O-])[*:1] O=[S@](CCOc1ccccc1[*:1])c1cccc(F)c1
O=C([O-])c1ccccc1OCC[S@@](=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C([O-])c1ccccc1OCC[S@@](=O)[*:1]
O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc2ccccc2[nH]1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NC[C@H](c1ccccc1)[*:1])c1cc2ccccc2[nH]1
O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc2ccccc2[nH]1 c1ccc(cc1)[*:1] O=C(NC[C@H](c1c[nH]c2ccccc12)[*:1])c1cc2ccccc2[nH]1
O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc2ccccc2[nH]1 c1ccc2[nH]c(cc2c1)[*:1] O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
Cc1cc(C)c(OC/C=C/CN2CCOCC2)c(C)c1 C1CN(CCO1)[*:1] Cc1cc(C)c(OC/C=C/C[*:1])c(C)c1
Cc1ccccc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 Cc1ccccc1[*:1] N#C[C@H](C(=O)[*:1])c1nc2cc(Cl)ccc2s1
Cc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCC[C@H]1c1ccsc1
Cc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1S(C)(=O)=O c1cc(cs1)[*:1] Cc1ccc(cc1S(C)(=O)=O)C(=O)N1CCC[C@@H]1[*:1]
CC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3oc4ccccc4c32)cc1 CC(=O)[*:1] O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3oc4ccccc4c32)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)N[*:1]
CC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3oc4ccccc4c32)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)Cn1c(=O)n(c(=O)c2oc3ccccc3c21)[*:1]
C[C@@H](Sc1ccncc1)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H](Sc1ccncc1)C(=O)O[*:1]
CCc1cnc([C@H](C)NC(=O)N2CCOC[C@H]2C2CC2)s1 C1CC1[*:1] CCc1cnc(s1)[C@H](C)NC(=O)N1CCOC[C@@H]1[*:1]
CCc1cnc([C@H](C)NC(=O)N2CCOC[C@H]2C2CC2)s1 CCc1cnc(s1)[*:1] C[C@H](NC(=O)N1CCOC[C@H]1C1CC1)[*:1]
CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCCc1cn[nH]c1 c1n[nH]cc1C[*:1] CCc1nc2ccccc2n1[C@@H](CC)C(=O)NC[*:1]
CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCCc1cn[nH]c1 c1n[nH]cc1CC[*:1] CCc1nc2ccccc2n1[C@@H](CC)C(=O)N[*:1]
CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCCc1cn[nH]c1 c1n[nH]cc1[*:1] CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCC[*:1]
CCNC(=O)CCC1=c2ccccc2=[NH+][C@@H]1c1ccc(OC)cc1 CCNC(=O)[*:1] COc1ccc(cc1)[C@H]1[NH+]=c2ccccc2=C1CC[*:1]
CCNC(=O)CCC1=c2ccccc2=[NH+][C@@H]1c1ccc(OC)cc1 CCNC(=O)C[*:1] COc1ccc(cc1)[C@H]1[NH+]=c2ccccc2=C1C[*:1]
CCNC(=O)CCC1=c2ccccc2=[NH+][C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCNC(=O)CCC1=c2ccccc2=[NH+][C@H]1[*:1]
CCNC(=O)CCC1=c2ccccc2=[NH+][C@@H]1c1ccc(OC)cc1 CCNC(=O)CC[*:1] COc1ccc(cc1)[C@H]1[NH+]=c2ccccc2=C1[*:1]
O=C1CC[C@@]2(CCCN(C(=O)c3cccnn3)C2)CN1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(c1cccnn1)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
O=C1CC[C@@]2(CCCN(C(=O)c3cccnn3)C2)CN1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)c2cccnn2)CN1CC[*:1]
O=C1CC[C@@]2(CCCN(C(=O)c3cccnn3)C2)CN1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)c2cccnn2)CN1C[*:1]
O=C1CC[C@@]2(CCCN(C(=O)c3cccnn3)C2)CN1CCc1ccccc1 c1cnnc(c1)[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)[*:1])CN1CCc1ccccc1
Cc1cccc(N2N=C([N+](=O)[O-])[C@@H](c3ccco3)[NH2+][C@@H]2c2ccco2)c1 c1coc(c1)[*:1] Cc1cccc(c1)N1N=C([C@@H]([NH2+][C@@H]1c1ccco1)[*:1])[N+](=O)[O-]
Cc1cccc(N2N=C([N+](=O)[O-])[C@@H](c3ccco3)[NH2+][C@@H]2c2ccco2)c1 c1coc(c1)[*:1] Cc1cccc(c1)N1N=C([C@H]([NH2+][C@H]1[*:1])c1ccco1)[N+](=O)[O-]
Cc1cccc(N2N=C([N+](=O)[O-])[C@@H](c3ccco3)[NH2+][C@@H]2c2ccco2)c1 Cc1cccc(c1)[*:1] O=[N+]([O-])C1=NN([C@H]([NH2+][C@@H]1c1ccco1)c1ccco1)[*:1]
CC[C@@H]1CCC[C@@]2(CC[NH2+]C[C@@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@H]1CCC[C@@]2(CC[NH2+]C[C@H]2[*:1])CC1
Cc1nnc(-c2cccc(C(=O)NCC(C)(C)CC(C)C)c2)o1 CC(C)CC(C)(C)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NC[*:1]
Cc1nnc(-c2cccc(C(=O)NCC(C)(C)CC(C)C)c2)o1 Cc1nnc(o1)[*:1] CC(C)CC(C)(C)CNC(=O)c1cccc(c1)[*:1]
Cc1nnc(-c2cccc(C(=O)NCC(C)(C)CC(C)C)c2)o1 CC(C)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NCC(C)(C)C[*:1]
Cc1nnc(-c2cccc(C(=O)NCC(C)(C)CC(C)C)c2)o1 CC(C)C[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NCC(C)(C)[*:1]
Cc1ccccc1CN(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] Cc1ccccc1CN(C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1CN(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)-c1cc[nH]n1
Cc1ccccc1CN(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 Cc1ccccc1C[*:1] CN(C(=O)Nc1ccc(cc1)-c1cc[nH]n1)[*:1]
CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 CCOc1ccccc1[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 CCO[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@H](C1)C(=O)NCc1ccccc1[*:1]
CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 Cn1cnc(c1)[*:1] CCOc1ccccc1CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCCCNC(=O)N1CCC2=NN=C(c3ccccc3F)[C@@H]2C1 CCC[*:1] O=C(NC[*:1])N1CCC2=NN=C(c3ccccc3F)[C@@H]2C1
CCCCNC(=O)N1CCC2=NN=C(c3ccccc3F)[C@@H]2C1 Fc1ccccc1[*:1] CCCCNC(=O)N1CCC2=NN=C([C@@H]2C1)[*:1]
CCCCNC(=O)N1CCC2=NN=C(c3ccccc3F)[C@@H]2C1 CCCC[*:1] O=C(N[*:1])N1CCC2=NN=C(c3ccccc3F)[C@@H]2C1
Cc1cc[nH+]c(N[C@]2(C(F)(F)F)N=C(c3ccccc3)N=C2[O-])c1 FC(F)(F)[*:1] Cc1cc[nH+]c(c1)N[C@@]1(N=C(N=C1[O-])c1ccccc1)[*:1]
Cc1cc[nH+]c(N[C@]2(C(F)(F)F)N=C(c3ccccc3)N=C2[O-])c1 c1ccc(cc1)[*:1] Cc1cc[nH+]c(c1)N[C@@]1(N=C(N=C1[O-])[*:1])C(F)(F)F
CCOC[C@@H]1CCCN(C(=O)c2oc3ccc(OC)cc3c2C)C1 CCOC[*:1] COc1ccc2oc(C(=O)N3CCC[C@H](C3)[*:1])c(C)c2c1
CCOC[C@@H]1CCCN(C(=O)c2oc3ccc(OC)cc3c2C)C1 CCO[*:1] COc1ccc2oc(C(=O)N3CCC[C@H](C3)C[*:1])c(C)c2c1
C[C@@H]([NH2+]CC(=O)NC1CCCCC1)c1cccc(F)c1 C1CCC(CC1)[*:1] C[C@@H]([NH2+]CC(=O)N[*:1])c1cccc(F)c1
CCN(Cc1ccoc1)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 c1cc(co1)C[*:1] CCN(C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)[*:1]
CCN(Cc1ccoc1)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 c1cc(co1)[*:1] CCN(C[*:1])C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1
CCN(Cc1ccoc1)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCN(Cc1ccoc1)C(=O)N[C@H]1CC(=O)N(C)[C@H]1[*:1]
COc1ccccc1[C@H](C#N)C(F)(F)F FC(F)(F)[*:1] COc1ccccc1[C@H](C#N)[*:1]
C[C@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)N1CCCC[C@@H]1C CC(C)(C)OC(=O)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])C(=O)N1CCCC[C@@H]1C
C[C@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)N1CCCC[C@@H]1C CC(C)(C)[*:1] C[C@H](NC(=O)c1ccc(cc1)C(=O)O[*:1])C(=O)N1CCCC[C@@H]1C
C[C@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)N1CCCC[C@@H]1C C[C@H]1CCCCN1C(=O)[*:1] C[C@H](NC(=O)c1ccc(cc1)C(=O)OC(C)(C)C)[*:1]
CCO[C@@H]1C[C@@H](Nc2cccc(C(=O)OC)n2)C12CCCC2 CCO[*:1] COC(=O)c1cccc(n1)N[C@@H]1C[C@H](C12CCCC2)[*:1]
CCO[C@@H]1C[C@@H](Nc2cccc(C(=O)OC)n2)C12CCCC2 COC(=O)[*:1] CCO[C@@H]1C[C@@H](Nc2cccc(n2)[*:1])C12CCCC2
C[C@H](NC(=O)N1CC[C@H](C)[C@H](O)C1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)N[C@@H](C)[*:1]
CN(Cc1ncnn1C)C(=O)COc1ccccc1C#N Cn1ncnc1C[*:1] CN(C(=O)COc1ccccc1C#N)[*:1]
CN(Cc1ncnn1C)C(=O)COc1ccccc1C#N Cn1ncnc1[*:1] CN(C[*:1])C(=O)COc1ccccc1C#N
Cc1ccccc1-c1nnc(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)n1C C[C@@H](C[*:1])c1ccccc1 Cc1ccccc1-c1nnc(S[C@H](C)C(=O)N[*:1])n1C
Cc1ccccc1-c1nnc(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)n1C C[C@H](c1ccccc1)[*:1] Cc1ccccc1-c1nnc(S[C@H](C)C(=O)NC[*:1])n1C
Cc1ccccc1-c1nnc(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1ccccc1-c1nnc(S[C@H](C)C(=O)NC[C@H](C)[*:1])n1C
Cc1ccccc1-c1nnc(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)n1C Cc1ccccc1[*:1] C[C@@H](Sc1nnc(n1C)[*:1])C(=O)NC[C@H](C)c1ccccc1
O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 Fc1cc(ccc1Cl)[*:1] O=C(Nc1ccnn1C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccnc(NC(=O)CCn2c(=O)sc3cc(S(=O)(=O)N4CCCCCC4)ccc32)c1 Cc1ccnc(c1)[*:1] O=C(CCn1c(=O)sc2cc(ccc21)S(=O)(=O)N1CCCCCC1)N[*:1]
Cc1ccnc(NC(=O)CCn2c(=O)sc3cc(S(=O)(=O)N4CCCCCC4)ccc32)c1 Cc1ccnc(c1)NC(=O)[*:1] O=c1sc2cc(ccc2n1CC[*:1])S(=O)(=O)N1CCCCCC1
Cc1ccnc(NC(=O)CCn2c(=O)sc3cc(S(=O)(=O)N4CCCCCC4)ccc32)c1 O=S(=O)(N1CCCCCC1)[*:1] Cc1ccnc(c1)NC(=O)CCn1c(=O)sc2cc(ccc21)[*:1]
COc1cccc(C(=O)N2CCOC[C@H]2CC(C)C)c1F CC(C)C[*:1] COc1cccc(C(=O)N2CCOC[C@@H]2[*:1])c1F
COc1cccc(C(=O)N2CCOC[C@H]2CC(C)C)c1F CC(C)[*:1] COc1cccc(C(=O)N2CCOC[C@H]2C[*:1])c1F
Cc1ccc(CC(=O)NCc2ncc(-c3ccccc3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])NCc1ncc(o1)-c1ccccc1
Cc1ccc(CC(=O)NCc2ncc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CC(=O)NCc1ncc(o1)[*:1]
Nc1cnc(Cl)nc1NCc1ccco1 c1coc(c1)[*:1] Nc1cnc(Cl)nc1NC[*:1]
C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)N[*:1]
C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[*:1])C(=O)Nc1ccc(F)cc1
O=S(=O)(Cc1nc2ccccc2s1)c1nncn1C1CC1 C1CC1[*:1] O=S(=O)(Cc1nc2ccccc2s1)c1nncn1[*:1]
CCOC1CCN(c2nc(C(C)C)c(C[NH2+]C)s2)CC1 CC(C)[*:1] CCOC1CCN(CC1)c1nc(c(C[NH2+]C)s1)[*:1]
CCOC1CCN(c2nc(C(C)C)c(C[NH2+]C)s2)CC1 CCO[*:1] C[NH2+]Cc1sc(nc1C(C)C)N1CCC(CC1)[*:1]
Cn1ncc2nc3cc([N+](=O)[O-])ccc3c([O-])c21 O=[N+]([O-])[*:1] Cn1ncc2nc3cc(ccc3c([O-])c21)[*:1]
C/[NH+]=C(\NCc1cccc(C)c1)NCc1coc(-c2ccccc2)n1 Cc1cccc(c1)C[*:1] C/[NH+]=C(/NCc1coc(n1)-c1ccccc1)N[*:1]
C/[NH+]=C(\NCc1cccc(C)c1)NCc1coc(-c2ccccc2)n1 Cc1cccc(c1)[*:1] C/[NH+]=C(/NCc1coc(n1)-c1ccccc1)NC[*:1]
C/[NH+]=C(\NCc1cccc(C)c1)NCc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C/[NH+]=C(\NCc1cccc(C)c1)NCc1coc(n1)[*:1]
CCCc1nnc(C(=O)N(C)Cc2cnc3ccccn23)o1 CCC[*:1] CN(Cc1cnc2ccccn12)C(=O)c1nnc(o1)[*:1]
O=C1N(c2ccc3c(c2)OCCO3)[C@@H](c2ccccc2)C1(F)F c1ccc(cc1)[*:1] O=C1N(c2ccc3OCCOc3c2)[C@@H](C1(F)F)[*:1]
COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(-c2nc(no2)-c2cccc(c2)[*:1])c(c1)OC
CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3OC)CC2=O)cc1 COc1ccccc1[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1C(=O)N[*:1]
CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3OC)CC2=O)cc1 CCc1ccc(cc1)[*:1] COc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3OC)CC2=O)cc1 COc1ccccc1NC(=O)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
NC(=O)c1cc([C@@H]2CCCN(C(=O)c3ccn(-c4ccccc4Cl)n3)C2)n[nH]1 NC(=O)c1cc(n[nH]1)[*:1] O=C(c1ccn(n1)-c1ccccc1Cl)N1CCC[C@H](C1)[*:1]
NC(=O)c1cc([C@@H]2CCCN(C(=O)c3ccn(-c4ccccc4Cl)n3)C2)n[nH]1 NC(=O)[*:1] O=C(c1ccn(n1)-c1ccccc1Cl)N1CCC[C@H](C1)c1cc([nH]n1)[*:1]
NC(=O)c1cc([C@@H]2CCCN(C(=O)c3ccn(-c4ccccc4Cl)n3)C2)n[nH]1 Clc1ccccc1[*:1] NC(=O)c1cc(n[nH]1)[C@@H]1CCCN(C1)C(=O)c1ccn(n1)[*:1]
Cn1ccc(S(=O)(=O)NCCNC(=O)N2CCc3cc(F)ccc3C2)c1 Cn1ccc(c1)[*:1] O=C(NCCNS(=O)(=O)[*:1])N1CCc2cc(F)ccc2C1
Cc1ccc(CSCC(=O)N2CCOC[C@H]2C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)CSCC(=O)N1CCOC[C@@H]1[*:1]
Cc1ccc(CSCC(=O)N2CCOC[C@H]2C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CSC[*:1])N1CCOC[C@H]1C1CC1
CCC(CC)N(CCOC)C(=O)Nc1ccc2c(c1)OCCCO2 COCC[*:1] CCC(CC)N(C(=O)Nc1ccc2OCCCOc2c1)[*:1]
CCC(CC)N(CCOC)C(=O)Nc1ccc2c(c1)OCCCO2 COC[*:1] CCC(CC)N(C[*:1])C(=O)Nc1ccc2OCCCOc2c1
CCC(CC)N(CCOC)C(=O)Nc1ccc2c(c1)OCCCO2 CCC(CC)[*:1] COCCN(C(=O)Nc1ccc2OCCCOc2c1)[*:1]
Cc1ccc(C(C)C)cc1OC(=O)CCn1c(C)csc1=O Cc1csc(=O)n1[*:1] Cc1ccc(cc1OC(=O)CC[*:1])C(C)C
Cc1ccc(C(C)C)cc1OC(=O)CCn1c(C)csc1=O CC(C)[*:1] Cc1ccc(cc1OC(=O)CCn1c(C)csc1=O)[*:1]
O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 Clc1ccc(cc1Cl)[*:1] O=S(=O)(N1CCC[C@@H]1c1ccc2OCCOc2c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)[*:1])sc2C1
O=C(Cc1csc(-c2cccs2)n1)Nc1cccc(F)c1 c1csc(c1)[*:1] O=C(Cc1csc(n1)[*:1])Nc1cccc(F)c1
O=C(Cc1csc(-c2cccs2)n1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cc1csc(n1)-c1cccs1)N[*:1]
NC(=O)Cn1cc(C(=O)N2CCCCC[C@@H]2c2ccccc2)nn1 NC(=O)C[*:1] O=C(c1cn(nn1)[*:1])N1CCCCC[C@@H]1c1ccccc1
NC(=O)Cn1cc(C(=O)N2CCCCC[C@@H]2c2ccccc2)nn1 NC(=O)[*:1] O=C(c1cn(C[*:1])nn1)N1CCCCC[C@@H]1c1ccccc1
NC(=O)Cn1cc(C(=O)N2CCCCC[C@@H]2c2ccccc2)nn1 c1ccc(cc1)[*:1] NC(=O)Cn1cc(nn1)C(=O)N1CCCCC[C@H]1[*:1]
Cc1nc(C)c(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)o1 CC(C)[*:1] Cc1nc(C)c(o1)C(=O)N(C)[C@H](C)c1sc(nc1C)[*:1]
Cc1nc(C)c(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)o1 Cc1nc(C)c(o1)[*:1] Cc1nc(sc1[C@@H](C)N(C)C(=O)[*:1])C(C)C
Cc1cccc(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(NC(=O)CSc2nn(c(=S)s2)[*:1])c1C
Cc1cccc(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c1C Cc1cccc(c1C)[*:1] O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)N[*:1]
CC[C@H](NC(=O)c1nnn(-c2cccc3cnccc23)c1C)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)c1nnn(-c2cccc3cnccc23)c1C)[*:1]
CC[C@H](NC(=O)c1nnn(-c2cccc3cnccc23)c1C)C(=O)OC CC[C@H](C(=O)OC)[*:1] Cc1c(nnn1-c1cccc2cnccc12)C(=O)N[*:1]
CCOC(=O)[C@H](F)Sc1ccncc1N CCOC(=O)[*:1] Nc1cnccc1S[C@@H](F)[*:1]
Cc1ccc(OCC(=O)Nc2cccc(N3CCCC3)c2)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)OCC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(OCC(=O)Nc2cccc(N3CCCC3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1cccc(c1)N1CCCC1
CC(C)Cn1ncc2cc(C(=O)NC[C@@]3(O)CCSC3)cnc21 CC(C)C[*:1] O=C(NC[C@@]1(O)CCSC1)c1cnc2c(cnn2[*:1])c1
CC(C)Cn1ncc2cc(C(=O)NC[C@@]3(O)CCSC3)cnc21 CC(C)[*:1] O=C(NC[C@@]1(O)CCSC1)c1cnc2c(cnn2C[*:1])c1
C[NH2+][C@H](Cc1nc([C@@H]2CSCCS2)no1)C(C)(C)C CC(C)(C)[*:1] C[NH2+][C@H](Cc1nc(no1)[C@@H]1CSCCS1)[*:1]
C[NH2+][C@H](Cc1nc([C@@H]2CSCCS2)no1)C(C)(C)C C1CS[C@@H](CS1)[*:1] C[NH2+][C@H](Cc1nc(no1)[*:1])C(C)(C)C
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)o1 c1csc(c1)[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnc(o1)[*:1]
Cc1csc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N/C(=N\S(=O)(=O)[*:1])c1ccccc1
Cc1csc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N/C(=N\S(=O)(=O)c1ccccc1)[*:1]
Cc1csc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)n1 Cc1csc(n1)[*:1] O=S(=O)(/N=C(\N[*:1])c1ccccc1)c1ccccc1
Cc1cnc(-c2cccc(NC(=O)NNc3ccc(F)c(F)c3F)c2)o1 Cc1cnc(o1)[*:1] O=C(NNc1ccc(F)c(F)c1F)Nc1cccc(c1)[*:1]
CN(Cc1cc(=O)n2ccsc2[nH+]1)C1CCC1 C1CC(C1)[*:1] CN(Cc1cc(=O)n2ccsc2[nH+]1)[*:1]
C[C@@H](c1cccs1)N(C)C(=O)C[S@@](=O)c1ncccc1Cl c1csc(c1)[*:1] C[C@@H](N(C)C(=O)C[S@@](=O)c1ncccc1Cl)[*:1]
C[C@@H](c1cccs1)N(C)C(=O)C[S@@](=O)c1ncccc1Cl C[C@@H](c1cccs1)[*:1] CN(C(=O)C[S@@](=O)c1ncccc1Cl)[*:1]
C[C@@H](c1cccs1)N(C)C(=O)C[S@@](=O)c1ncccc1Cl Clc1cccnc1[*:1] C[C@@H](c1cccs1)N(C)C(=O)C[S@@](=O)[*:1]
CCOc1ccc(-n2c([C@H](C)Cl)nc3cccnc32)cc1 C[C@H](Cl)[*:1] CCOc1ccc(cc1)-n1c(nc2cccnc21)[*:1]
CCOc1ccc(-n2c([C@H](C)Cl)nc3cccnc32)cc1 CCO[*:1] C[C@H](Cl)c1nc2cccnc2n1-c1ccc(cc1)[*:1]
Cc1oc(C[NH2+]C(C)C)cc1C[NH+]1CCC(C)(C)C1 CC(C)[NH2+]C[*:1] Cc1oc(cc1C[NH+]1CCC(C)(C)C1)[*:1]
Cc1oc(C[NH2+]C(C)C)cc1C[NH+]1CCC(C)(C)C1 CC(C)[*:1] Cc1oc(cc1C[NH+]1CCC(C)(C)C1)C[NH2+][*:1]
Cc1oc(C[NH2+]C(C)C)cc1C[NH+]1CCC(C)(C)C1 CC(C)[NH2+][*:1] Cc1oc(cc1C[NH+]1CCC(C)(C)C1)C[*:1]
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 CC(C)(C)[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)O[*:1]
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N[C@H](C[*:1])C(=O)N1CCOCC1
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N[C@H](C(=O)N1CCOCC1)[*:1]
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[*:1]
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 CC(C)(C)OC(=O)N[*:1] O=C([C@@H](Cc1ccccc1)[*:1])N1CCOCC1
Cc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2c2ccccc2)c(C)n1 c1ccc(cc1)[*:1] Cc1ccc(c(C)n1)N1C[C@@H](C)[NH2+]C[C@H]1[*:1]
CC(C)(C)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)c1nc2ncccn2n1 c1cnc2nc(nn2c1)[*:1] CC(C)(C)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
CC(C)(C)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)c1nc2ncccn2n1 CC(C)(C)[*:1] O=C(c1nc2ncccn2n1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
CC(C)CC1(C(=O)N2CC(=O)NC(=O)C2(C)C)CCCC1 CC(C)[*:1] CC1(C)C(=O)NC(=O)CN1C(=O)C1(CCCC1)C[*:1]
CC(C)CC1(C(=O)N2CC(=O)NC(=O)C2(C)C)CCCC1 CC(C)C[*:1] CC1(C)C(=O)NC(=O)CN1C(=O)C1(CCCC1)[*:1]
C[C@H]1Sc2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)cc2NC1=O C1CCC(C1)[*:1] C[C@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@H]1Sc2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)cc2NC1=O O=C(NC1CCCC1)[*:1] C[C@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)[*:1]
COC(=O)c1ccc(NC(=O)Cc2c(F)cccc2F)c(F)c1 COC(=O)[*:1] O=C(Cc1c(F)cccc1F)Nc1ccc(cc1F)[*:1]
COc1ccc(N(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)N(C(=O)Nc1cccc(c1)[*:1])[C@@H](C)C1CC1
COc1ccc(N(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)N(C(=O)Nc1cccc(c1)[N+](=O)[O-])[C@@H](C)[*:1]
COc1ccc(N(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 COc1ccc(cc1)[*:1] C[C@@H](C1CC1)N(C(=O)Nc1cccc(c1)[N+](=O)[O-])[*:1]
CCOC(=O)c1[nH]c(-c2nc3ccccc3nc2C)c(C#N)c1N CCOC(=O)[*:1] Cc1nc2ccccc2nc1-c1[nH]c(c(N)c1C#N)[*:1]
c1ccc2c(c1)oc1c(C[NH+]3CCN(CCn4cncn4)CC3)cccc12 c1ncn(CC[*:1])n1 c1ccc2c(c1)oc1c(cccc12)C[NH+]1CCN(CC1)[*:1]
c1ccc2c(c1)oc1c(C[NH+]3CCN(CCn4cncn4)CC3)cccc12 c1ncn(n1)[*:1] c1ccc2c(c1)oc1c(cccc12)C[NH+]1CCN(CC1)CC[*:1]
c1ccc2c(c1)oc1c(C[NH+]3CCN(CCn4cncn4)CC3)cccc12 c1ncn(C[*:1])n1 c1ccc2c(c1)oc1c(cccc12)C[NH+]1CCN(CC1)C[*:1]
Cc1nnc(SCC(=O)Nc2ccccc2N2CC[NH+](C3CCCCC3)CC2)s1 Cc1nnc(SC[*:1])s1 O=C(Nc1ccccc1N1CC[NH+](CC1)C1CCCCC1)[*:1]
Cc1nnc(SCC(=O)Nc2ccccc2N2CC[NH+](C3CCCCC3)CC2)s1 Cc1nnc(s1)[*:1] O=C(CS[*:1])Nc1ccccc1N1CC[NH+](CC1)C1CCCCC1
Cc1nnc(SCC(=O)Nc2ccccc2N2CC[NH+](C3CCCCC3)CC2)s1 Cc1nnc(S[*:1])s1 O=C(C[*:1])Nc1ccccc1N1CC[NH+](CC1)C1CCCCC1
O=C1Nc2ccccc2S[C@H]1C(=O)N1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1 c1cnc(nc1)[*:1] O=C1Nc2ccccc2S[C@H]1C(=O)N1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
O=C(N[C@]1(C(F)(F)F)N=C([O-])N(CCC2=c3ccccc3=[NH+]C2)C1=O)c1ccccc1 FC(F)(F)[*:1] O=C(N[C@@]1(N=C([O-])N(CCC2C[NH+]=c3ccccc3=2)C1=O)[*:1])c1ccccc1
O=C(N[C@]1(C(F)(F)F)N=C([O-])N(CCC2=c3ccccc3=[NH+]C2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C1N(CCC2C[NH+]=c3ccccc3=2)C([O-])=N[C@]1(NC(=O)[*:1])C(F)(F)F
O=C(N[C@]1(C(F)(F)F)N=C([O-])N(CCC2=c3ccccc3=[NH+]C2)C1=O)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C1N(CCC2C[NH+]=c3ccccc3=2)C([O-])=N[C@]1(C(F)(F)F)[*:1]
CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCCC[C@H]1O[*:1]
CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 CC(C)(C)C(=O)N[*:1] O=C(CC[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 CC(C)(C)C(=O)NC[*:1] O=C(C[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 CC(C)(C)[*:1] O=C(CCNC(=O)[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCCC[C@@H]1[*:1]
Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(N3CCOCC3)cn1)C2=O C1CN(CCO1)[*:1] Cc1ccc2C(=O)N(CCCC(=O)Nc3ccc(cn3)[*:1])C(=O)c2c1
O[C@@H](CNCc1ccccc1F)c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](CNCc1ccccc1F)[*:1]
CC[C@H]1CCCCN1c1cc(C(C)=O)ccn1 CC(=O)[*:1] CC[C@H]1CCCCN1c1cc(ccn1)[*:1]
CNC(=O)c1ccccc1NC(=O)CCOc1ccccc1Cl CNC(=O)[*:1] O=C(CCOc1ccccc1Cl)Nc1ccccc1[*:1]
CNC(=O)c1ccccc1NC(=O)CCOc1ccccc1Cl Clc1ccccc1[*:1] CNC(=O)c1ccccc1NC(=O)CCO[*:1]
COc1ccc(NC(=O)CSC2=NC(=O)[C@@H]3CN(Cc4ccccc4)CCC3=N2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)NC(=O)CSC1=NC(=O)[C@@H]2CN(CCC2=N1)[*:1]
COc1ccc(NC(=O)CSC2=NC(=O)[C@@H]3CN(Cc4ccccc4)CCC3=N2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)CSC1=NC(=O)[C@@H]2CN(CCC2=N1)C[*:1]
COc1ccc(NC(=O)CSC2=NC(=O)[C@@H]3CN(Cc4ccccc4)CCC3=N2)cc1 COc1ccc(cc1)[*:1] O=C(CSC1=NC(=O)[C@@H]2CN(CCC2=N1)Cc1ccccc1)N[*:1]
C[NH+](CCNC(=O)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCNC(=O)c1c2CN(C(=O)c2nc2ccccc12)[*:1])C1CCCCC1
Cc1cccc(-n2ncc(C(=O)Nc3cccc(C(=O)[O-])c3C)c2C)c1 Cc1cccc(c1)[*:1] Cc1c(cccc1C(=O)[O-])NC(=O)c1cnn(c1C)[*:1]
Cc1cccc(-n2ncc(C(=O)Nc3cccc(C(=O)[O-])c3C)c2C)c1 O=C([O-])[*:1] Cc1cccc(c1)-n1ncc(C(=O)Nc2cccc(c2C)[*:1])c1C
CC(C)c1ccc(-c2cnc([C@@H]3N[C@H](C(=O)[O-])C(C)(C)S3)s2)cc1 CC(C)[*:1] CC1(C)S[C@@H](N[C@@H]1C(=O)[O-])c1ncc(s1)-c1ccc(cc1)[*:1]
CC(C)c1ccc(-c2cnc([C@@H]3N[C@H](C(=O)[O-])C(C)(C)S3)s2)cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)-c1cnc(s1)[C@@H]1N[C@H](C(C)(C)S1)[*:1]
CCOC(=O)C1=C(C)N=C(C)/C(=C(\[O-])OCC)[C@@H]1c1ccc(O)cc1 CCO[*:1] CCOC(=O)C1=C(C)N=C(C)C(=C([O-])[*:1])[C@@H]1c1ccc(O)cc1
CCOC(=O)C1=C(C)N=C(C)/C(=C(\[O-])OCC)[C@@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N=C(C)/C(=C(\[O-])OCC)[C@H]1[*:1]
CCOC(=O)C1=C(C)N=C(C)/C(=C(\[O-])OCC)[C@@H]1c1ccc(O)cc1 CCOC(=O)[*:1] CCO/C([O-])=C1/C(C)=NC(C)=C([C@H]1c1ccc(O)cc1)[*:1]
Cc1cnc(-c2cccc(NC(=O)NCc3ccc(OC4CCCC4)nc3)c2)o1 Cc1cnc(o1)[*:1] O=C(NCc1ccc(nc1)OC1CCCC1)Nc1cccc(c1)[*:1]
Cc1cnc(-c2cccc(NC(=O)NCc3ccc(OC4CCCC4)nc3)c2)o1 C1CCC(C1)O[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)NCc1ccc(nc1)[*:1]
Cc1cnc(-c2cccc(NC(=O)NCc3ccc(OC4CCCC4)nc3)c2)o1 C1CCC(C1)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)NCc1ccc(nc1)O[*:1]
C[C@@H](c1ccccc1F)S(=O)(=O)c1ccc(C(=O)N2CCCC2)cn1 O=C(N1CCCC1)[*:1] C[C@@H](c1ccccc1F)S(=O)(=O)c1ccc(cn1)[*:1]
C[C@@H](c1ccccc1F)S(=O)(=O)c1ccc(C(=O)N2CCCC2)cn1 Fc1ccccc1[*:1] C[C@@H](S(=O)(=O)c1ccc(cn1)C(=O)N1CCCC1)[*:1]
CC(=O)Nc1cc(C(=O)NC[C@H](O)c2ccc(F)cc2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)NC[C@H](O)c1ccc(F)cc1
CC(=O)Nc1cc(C(=O)NC[C@H](O)c2ccc(F)cc2)ccc1C Fc1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1C)C(=O)NC[C@H](O)[*:1]
CCOc1ccccc1C(=O)NC1(C(N)=O)CCCCC1 CCO[*:1] NC(=O)C1(CCCCC1)NC(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)NC1(C(N)=O)CCCCC1 NC(=O)[*:1] CCOc1ccccc1C(=O)NC1(CCCCC1)[*:1]
CC(C)C[C@@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)[*:1] O=C(Nc1ccc(cc1)-c1cn2CCCCc2[nH+]1)[C@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CC(C)C[C@@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)C[*:1] O=C(Nc1ccc(cc1)-c1cn2CCCCc2[nH+]1)[C@@H](N1C(=O)[C@H]2CC=CC[C@H]2C1=O)[*:1]
CC(C)Oc1ccc(NC(=O)NCc2ccc([N+]3=CCCC3)cc2)cc1 CC(C)O[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)Nc1ccc(cc1)[*:1]
CC(C)Oc1ccc(NC(=O)NCc2ccc([N+]3=CCCC3)cc2)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)Nc1ccc(cc1)O[*:1]
C[C@H]1CCN(C(=O)Nc2nnc(C(F)F)s2)[C@@H](C)C1 FC(F)[*:1] C[C@H]1CCN(C(=O)Nc2nnc(s2)[*:1])[C@@H](C)C1
C1CC[C@@H](CNc2nc3nonc3nc2NC2CCCC2)OC1 C1CC[C@@H](C[*:1])OC1 C1CCC(C1)Nc1nc2nonc2nc1N[*:1]
C1CC[C@@H](CNc2nc3nonc3nc2NC2CCCC2)OC1 C1CCC(C1)N[*:1] C1CC[C@@H](CNc2nc3nonc3nc2[*:1])OC1
C1CC[C@@H](CNc2nc3nonc3nc2NC2CCCC2)OC1 C1CCC(C1)[*:1] C1CC[C@@H](CNc2nc3nonc3nc2N[*:1])OC1
C1CC[C@@H](CNc2nc3nonc3nc2NC2CCCC2)OC1 C1CC[C@@H](OC1)[*:1] C1CCC(C1)Nc1nc2nonc2nc1NC[*:1]
CC(C)Cc1nc(CN2CCO[C@@H](Cn3cncn3)C2)no1 c1ncn(C[*:1])n1 CC(C)Cc1nc(CN2CCO[C@@H](C2)[*:1])no1
CC(C)Cc1nc(CN2CCO[C@@H](Cn3cncn3)C2)no1 CC(C)C[*:1] c1ncn(C[C@H]2CN(CCO2)Cc2noc(n2)[*:1])n1
CC(C)Cc1nc(CN2CCO[C@@H](Cn3cncn3)C2)no1 CC(C)[*:1] c1ncn(C[C@H]2CN(CCO2)Cc2noc(C[*:1])n2)n1
CC(C)Cc1nc(CN2CCO[C@@H](Cn3cncn3)C2)no1 c1ncn(n1)[*:1] CC(C)Cc1nc(CN2CCO[C@H](C2)C[*:1])no1
COc1ccc(N/C=C2/C(=O)c3sccc3N(Cc3ccccc3)S2(=O)=O)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)N/C=C1/C(=O)c2sccc2N(C[*:1])S1(=O)=O
COc1ccc(N/C=C2/C(=O)c3sccc3N(Cc3ccccc3)S2(=O)=O)cc1Cl COc1ccc(cc1Cl)N[*:1] O=C1C(=C[*:1])S(=O)(=O)N(Cc2ccccc2)c2ccsc21
COc1ccc(N/C=C2/C(=O)c3sccc3N(Cc3ccccc3)S2(=O)=O)cc1Cl COc1ccc(cc1Cl)[*:1] O=C1/C(=C/N[*:1])S(=O)(=O)N(Cc2ccccc2)c2ccsc21
COc1ccc(N/C=C2/C(=O)c3sccc3N(Cc3ccccc3)S2(=O)=O)cc1Cl c1ccc(cc1)C[*:1] COc1ccc(cc1Cl)N/C=C1/C(=O)c2sccc2N(S1(=O)=O)[*:1]
Cc1noc(C)c1CCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])c1cnn(c1)-c1ccc(Cl)cc1
Cc1noc(C)c1CCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1 Cc1noc(C)c1C[*:1] O=C(NCC[*:1])c1cnn(c1)-c1ccc(Cl)cc1
Cc1noc(C)c1CCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1CCCNC(=O)c1cnn(c1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)cc1Cl Cc1ccccc1[*:1] COc1ccc(cc1Cl)S(=O)(=O)N1CCC[C@H]1[*:1]
CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccnc(Cl)c2)c1 CC[C@H](C#N)[*:1] C[C@@H]([NH2+]Cc1cccc(c1)O[*:1])c1ccnc(Cl)c1
CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccnc(Cl)c2)c1 Clc1cc(ccn1)[*:1] CC[C@H](C#N)Oc1cccc(c1)C[NH2+][C@H](C)[*:1]
CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccnc(Cl)c2)c1 CC[C@H](C#N)O[*:1] C[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1ccnc(Cl)c1
O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc(F)c1 O=C([O-])CC[*:1] O=C(N1N=C(C[C@H]1c1cccc(F)c1)c1ccc(Br)cc1)[*:1]
O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc(F)c1 O=C([O-])[*:1] O=C(CC[*:1])N1N=C(C[C@H]1c1cccc(F)c1)c1ccc(Br)cc1
O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C([O-])CCC(=O)N1N=C(C[C@@H]1[*:1])c1ccc(Br)cc1
O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc(F)c1 Brc1ccc(cc1)[*:1] O=C([O-])CCC(=O)N1N=C(C[C@H]1c1cccc(F)c1)[*:1]
O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc(F)c1 O=C([O-])C[*:1] O=C(C[*:1])N1N=C(C[C@H]1c1cccc(F)c1)c1ccc(Br)cc1
C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C#CCCO)n1 OCC[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C#C[*:1])n1
C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C#CCCO)n1 OCCC#C[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(n1)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1 c1ccc(cc1)O[*:1] CCCC(=O)N[C@@H]1CCCN(C1)C(=O)[C@@H](C)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1 CCCC(=O)N[*:1] C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@H](C1)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1 CCC[*:1] C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@H](C1)NC(=O)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1 c1ccc(cc1)[*:1] CCCC(=O)N[C@@H]1CCCN(C1)C(=O)[C@@H](C)O[*:1]
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC1 c1ccc(cc1)[*:1] Cc1ccsc1[C@@H](C[*:1])NC(=O)C(=O)NC1CC1
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC1 C1CC1[*:1] Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)N[*:1]
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC1 Cc1ccsc1[*:1] O=C(NC1CC1)C(=O)N[C@H](Cc1ccccc1)[*:1]
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC1 c1ccc(cc1)C[*:1] Cc1ccsc1[C@@H](NC(=O)C(=O)NC1CC1)[*:1]
CC(C)c1cc(C2CC[NH+](Cc3c[nH]nc3C(=O)[O-])CC2)n[nH]1 O=C([O-])[*:1] CC(C)c1cc(n[nH]1)C1CC[NH+](CC1)Cc1c[nH]nc1[*:1]
CC(C)c1cc(C2CC[NH+](Cc3c[nH]nc3C(=O)[O-])CC2)n[nH]1 CC(C)[*:1] O=C([O-])c1n[nH]cc1C[NH+]1CCC(CC1)c1cc([nH]n1)[*:1]
CC(C)(C)OC(=O)N1CC(=CC(=O)NC[C@H]2CCCS2)C1 CC(C)(C)[*:1] O=C(C=C1CN(C1)C(=O)O[*:1])NC[C@H]1CCCS1
CC(C)[C@H](O)CCCc1nccs1 CC(C)[*:1] O[C@H](CCCc1nccs1)[*:1]
CC(C)[C@H]1CN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)CCS1 CC(C)[*:1] CS(=O)(=O)C[C@H](NC(=O)N1CCS[C@H](C1)[*:1])c1ccccc1
CC(C)[C@H]1CN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)CCS1 c1ccc(cc1)[*:1] CC(C)[C@H]1CN(CCS1)C(=O)N[C@@H](CS(C)(=O)=O)[*:1]
CC(C)[C@H]1CN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)CCS1 CS(=O)(=O)C[*:1] CC(C)[C@H]1CN(CCS1)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@H]1CN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)CCS1 CS(=O)(=O)[*:1] CC(C)[C@H]1CN(CCS1)C(=O)N[C@@H](C[*:1])c1ccccc1
Cc1c(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)Nc2ccc(cc2)C(F)(F)F)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C FC(F)(F)[*:1] Cc1c(NC(=O)Nc2ccc(cc2)[*:1])c(=O)n(-c2ccccc2)n1C
Cn1cnnc1CCNc1ccc(C#N)c(N)c1 Cn1cnnc1[*:1] N#Cc1ccc(cc1N)NCC[*:1]
CC[C@]1(C)Cc2nc3sc4c(=O)n(CC(=O)NCc5ccco5)cnc4c3cc2CO1 c1coc(c1)C[*:1] CC[C@]1(C)Cc2nc3sc4c(=O)n(cnc4c3cc2CO1)CC(=O)N[*:1]
CC[C@]1(C)Cc2nc3sc4c(=O)n(CC(=O)NCc5ccco5)cnc4c3cc2CO1 O=C(NCc1ccco1)[*:1] CC[C@]1(C)Cc2nc3sc4c(=O)n(cnc4c3cc2CO1)C[*:1]
CC[C@]1(C)Cc2nc3sc4c(=O)n(CC(=O)NCc5ccco5)cnc4c3cc2CO1 c1coc(c1)[*:1] CC[C@]1(C)Cc2nc3sc4c(=O)n(cnc4c3cc2CO1)CC(=O)NC[*:1]
CC[C@]1(C)Cc2nc3sc4c(=O)n(CC(=O)NCc5ccco5)cnc4c3cc2CO1 O=C(C[*:1])NCc1ccco1 CC[C@]1(C)Cc2nc3sc4c(=O)n(cnc4c3cc2CO1)[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)N2CCO[C@H](CCC)C2)CC1 CCCC[*:1] CCC[C@@H]1CN(CCO1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)N2CCO[C@H](CCC)C2)CC1 CCC[*:1] CCC[C@@H]1CN(CCO1)C(=O)C1CCN(CC1)S(=O)(=O)C[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)N2CCO[C@H](CCC)C2)CC1 CCC[*:1] CCCCS(=O)(=O)N1CCC(CC1)C(=O)N1CCO[C@H](C1)[*:1]
C[C@H](S[C@H](C)C(=O)Nc1ccccc1F)c1ccccc1 Fc1ccccc1[*:1] C[C@H](S[C@H](C)C(=O)N[*:1])c1ccccc1
C[C@H](S[C@H](C)C(=O)Nc1ccccc1F)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](S[C@H](C)C(=O)Nc1ccccc1F)[*:1]
Cc1cccc(CS(=O)(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 Cc1cccc(c1)C[*:1] O=S(=O)(NCC[NH+]1CCN(CC1)c1ccc(F)cc1)[*:1]
Cc1cccc(CS(=O)(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)CS(=O)(=O)NCC[NH+]1CCN(CC1)[*:1]
Cc1cccc(CS(=O)(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 Cc1cccc(c1)[*:1] O=S(=O)(C[*:1])NCC[NH+]1CCN(CC1)c1ccc(F)cc1
CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(F)c2C)C1 CNC(=O)[*:1] Cc1c(F)cccc1NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1nsnc1COc1cccc(C(=O)NCC(=O)N2CCOCC2)c1 Cc1nsnc1CO[*:1] O=C(NCC(=O)N1CCOCC1)c1cccc(c1)[*:1]
Cc1nsnc1COc1cccc(C(=O)NCC(=O)N2CCOCC2)c1 O=C(N1CCOCC1)[*:1] Cc1nsnc1COc1cccc(c1)C(=O)NC[*:1]
Cc1nsnc1COc1cccc(C(=O)NCC(=O)N2CCOCC2)c1 Cc1nsnc1[*:1] O=C(NCC(=O)N1CCOCC1)c1cccc(c1)OC[*:1]
Cc1nsnc1COc1cccc(C(=O)NCC(=O)N2CCOCC2)c1 Cc1nsnc1C[*:1] O=C(NCC(=O)N1CCOCC1)c1cccc(c1)O[*:1]
Cc1cc(C)n2ncc(C(=O)Nc3ccc(O)cc3)c2n1 Oc1ccc(cc1)[*:1] Cc1cc(C)n2ncc(C(=O)N[*:1])c2n1
COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC(C)C CC(C)(C)[*:1] COc1ccc(cc1S(=O)(=O)NCC(C)C)[*:1]
COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC(C)C CC(C)C[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC(C)C CC(C)[*:1] COc1ccc(cc1S(=O)(=O)NC[*:1])C(C)(C)C
COCCc1noc(CNc2ccccc2-c2cc(F)c(F)c(F)c2)n1 COCC[*:1] Fc1cc(cc(F)c1F)-c1ccccc1NCc1nc(no1)[*:1]
COCCc1noc(CNc2ccccc2-c2cc(F)c(F)c(F)c2)n1 COC[*:1] Fc1cc(cc(F)c1F)-c1ccccc1NCc1nc(C[*:1])no1
Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@H](O)C1 c1coc(c1)[*:1] Cc1sc(nc1C(=O)N1CCC[C@H](O)C1)[*:1]
CSCCCCNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 CSCC[*:1] O=C(NCC[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
CSCCCCNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 CSC[*:1] O=C(NCCC[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
CSCCCCNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 CSCCCC[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)N[*:1]
CSCCCCNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 CSCCC[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)NC[*:1]
CCCN(c1cccc(N)c1)[C@H]1CCO[C@]2(CCSC2)C1 CCC[*:1] Nc1cccc(c1)N([C@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCCN(c1cccc(N)c1)[C@H]1CCO[C@]2(CCSC2)C1 Nc1cccc(c1)[*:1] CCCN([C@H]1CCO[C@]2(CCSC2)C1)[*:1]
C[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)c2ccc(Br)o2)C1 c1ccc(cc1)C[*:1] C[C@@]1(CCCN(C1)C(=O)c1ccc(Br)o1)C(=O)N[*:1]
C[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)c2ccc(Br)o2)C1 Brc1ccc(o1)[*:1] C[C@@]1(CCCN(C1)C(=O)[*:1])C(=O)NCc1ccccc1
C[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)c2ccc(Br)o2)C1 c1ccc(cc1)[*:1] C[C@@]1(CCCN(C1)C(=O)c1ccc(Br)o1)C(=O)NC[*:1]
Cc1cc2cc(C#N)c(SCC(=O)Nc3c[nH]c(=O)[nH]c3=O)nc2cc1C O=c1[nH]cc(c(=O)[nH]1)[*:1] Cc1cc2cc(C#N)c(nc2cc1C)SCC(=O)N[*:1]
O=S(=O)(Nc1nc2ccccc2nc1N1CCOCC1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=S(=O)(Nc1nc2ccccc2nc1N1CCOCC1)[*:1]
O=S(=O)(Nc1nc2ccccc2nc1N1CCOCC1)c1ccc2c(c1)OCCO2 C1CN(CCO1)[*:1] O=S(=O)(Nc1nc2ccccc2nc1[*:1])c1ccc2OCCOc2c1
C=CCN1C(=O)CS/C1=N\C1=C(C)N(C)N(c2ccccc2)C1 C=CC[*:1] CC1=C(CN(c2ccccc2)N1C)/N=C1\SCC(=O)N1[*:1]
C=CCN1C(=O)CS/C1=N\C1=C(C)N(C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] C=CCN1C(=O)CS/C1=N\C1CN(N(C)C=1C)[*:1]
CCc1nnc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(c2ccccc2)C3=O)s1 c1ccc(cc1)[*:1] CCc1nnc(NC(=O)c2ccc3C(=O)N(S(=O)(=O)c3c2)[*:1])s1
CCc1nnc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(c2ccccc2)C3=O)s1 CCc1nnc(s1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(c3ccccc3)S(=O)(=O)c2c1
CC(C)n1nnnc1-c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 CC(C)n1nnnc1[*:1] O=C(Nc1ccc2OCCOc2c1)c1cccc(c1)[*:1]
CC(C)n1nnnc1-c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 CC(C)[*:1] O=C(Nc1ccc2OCCOc2c1)c1cccc(c1)-c1nnnn1[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2cc(-c3ccco3)on2)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(N1CCCN(CC1)Cc1cc(on1)-c1ccco1)[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2cc(-c3ccco3)on2)CC1 c1coc(c1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCCN(CC1)Cc1cc(on1)[*:1]
C[C@@]([NH3+])(C(=O)[O-])c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] C[C@@]([NH3+])(c1ccc(cc1)C(=O)[O-])[*:1]
C[C@@]([NH3+])(C(=O)[O-])c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] C[C@@]([NH3+])(C(=O)[O-])c1ccc(cc1)[*:1]
CCOC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)CC1 Cc1ccc(c(C)c1)[*:1] CCOC(=O)N1CCN(CC1)[C@H]1CC(=O)N(C1=O)[*:1]
Cc1ncccc1NC(=O)N1CCN(Cc2cccc3ccccc23)CC1 Cc1ncccc1[*:1] O=C(N[*:1])N1CCN(CC1)Cc1cccc2ccccc12
CC(C)(C)CCCNC(=O)NC[C@H]1CCCN(c2ncccn2)C1 CC(C)(C)CCC[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)N[*:1]
CC(C)(C)CCCNC(=O)NC[C@H]1CCCN(c2ncccn2)C1 CC(C)(C)C[*:1] O=C(NCC[*:1])NC[C@H]1CCCN(C1)c1ncccn1
CC(C)(C)CCCNC(=O)NC[C@H]1CCCN(c2ncccn2)C1 CC(C)(C)CC[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)NC[*:1]
CC(C)(C)CCCNC(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CC(C)(C)CCCNC(=O)NC[C@H]1CCCN(C1)[*:1]
CC(C)(C)CCCNC(=O)NC[C@H]1CCCN(c2ncccn2)C1 CC(C)(C)[*:1] O=C(NCCC[*:1])NC[C@H]1CCCN(C1)c1ncccn1
CC1CCN(c2ccc(C(=O)Nc3nncs3)cc2[N+](=O)[O-])CC1 CC1CCN(CC1)[*:1] O=C(Nc1nncs1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC1CCN(c2ccc(C(=O)Nc3nncs3)cc2[N+](=O)[O-])CC1 c1nnc(s1)[*:1] CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
CC1CCN(c2ccc(C(=O)Nc3nncs3)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC1CCN(CC1)c1ccc(cc1[*:1])C(=O)Nc1nncs1
CC1CCN(c2ccc(C(=O)Nc3nncs3)cc2[N+](=O)[O-])CC1 O=C(Nc1nncs1)[*:1] CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
O=C(NCc1cccc(Cl)c1)C1=NO[C@@H](Cc2noc(-c3ccc(F)cc3)n2)C1 Fc1ccc(cc1)[*:1] O=C(NCc1cccc(Cl)c1)C1C[C@H](Cc2noc(n2)[*:1])ON=1
O=C(NCc1cccc(Cl)c1)C1=NO[C@@H](Cc2noc(-c3ccc(F)cc3)n2)C1 Clc1cccc(c1)[*:1] O=C(NC[*:1])C1C[C@H](Cc2noc(n2)-c2ccc(F)cc2)ON=1
O=C(NCc1cccc(Cl)c1)C1=NO[C@@H](Cc2noc(-c3ccc(F)cc3)n2)C1 Clc1cccc(c1)C[*:1] O=C(N[*:1])C1C[C@H](Cc2noc(n2)-c2ccc(F)cc2)ON=1
O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(Cl)c1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])Nc1ccc(F)c(Cl)c1
CCOC(=O)C1CC[NH+](Cc2cc(C)c(C(=O)OC)o2)CC1 CCOC(=O)[*:1] COC(=O)c1oc(cc1C)C[NH+]1CCC(CC1)[*:1]
CCOC(=O)C1CC[NH+](Cc2cc(C)c(C(=O)OC)o2)CC1 COC(=O)[*:1] CCOC(=O)C1CC[NH+](CC1)Cc1cc(C)c(o1)[*:1]
CC(=O)c1ccccc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C Fc1ccc(cc1)[*:1] CC(=O)c1ccccc1C(=O)N1C[C@@H](C[C@H]1C)[*:1]
CC(=O)c1ccccc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C CC(=O)[*:1] C[C@@H]1C[C@@H](CN1C(=O)c1ccccc1[*:1])c1ccc(F)cc1
[NH3+][C@@H]1C=C[C@H](C(=O)NCCOCCO)C1 OCC[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)NCCO[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)NCCOCCO)C1 OCCO[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)NCC[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)NCCOCCO)C1 OCCOC[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)NC[*:1]
CC(C)c1cc(C(=O)N2CCSCC2)on1 CC(C)[*:1] O=C(c1cc(no1)[*:1])N1CCSCC1
CS(=O)(=O)[N-]c1ccc(OC(=O)c2cnn(-c3cccc(Cl)c3)c2)cc1 Clc1cccc(c1)[*:1] CS(=O)(=O)[N-]c1ccc(cc1)OC(=O)c1cnn(c1)[*:1]
C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCN(c2cccc[nH+]2)CC1 Fc1ccccc1[*:1] C[C@@H](C(=O)NC[*:1])[NH+]1CCN(CC1)c1cccc[nH+]1
C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCN(c2cccc[nH+]2)CC1 Fc1ccccc1C[*:1] C[C@@H](C(=O)N[*:1])[NH+]1CCN(CC1)c1cccc[nH+]1
NC(=S)[C@@H]1CN(CCOCC(F)(F)F)CCO1 FC(F)(F)C[*:1] NC(=S)[C@@H]1CN(CCO1)CCO[*:1]
NC(=S)[C@@H]1CN(CCOCC(F)(F)F)CCO1 NC(=S)[*:1] FC(F)(F)COCCN1CCO[C@@H](C1)[*:1]
NC(=S)[C@@H]1CN(CCOCC(F)(F)F)CCO1 FC(F)(F)[*:1] NC(=S)[C@@H]1CN(CCOC[*:1])CCO1
CC[C@H](CSC)N(C)C(=O)Nc1cccc([S@@](C)=O)c1 C[S@@](=O)[*:1] CC[C@H](CSC)N(C)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1cccc([S@@](C)=O)c1 CC[C@H](CSC)[*:1] CN(C(=O)Nc1cccc(c1)[S@@](C)=O)[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1cccc([S@@](C)=O)c1 CSC[*:1] CC[C@H](N(C)C(=O)Nc1cccc(c1)[S@@](C)=O)[*:1]
CCOC(=O)[C@H](F)[C@@H](C)[NH2+]C[C@@H]1C[C@@]12CCc1ccccc12 CCOC(=O)[C@H](F)[*:1] C[C@@H]([NH2+]C[C@@H]1C[C@@]12CCc1ccccc12)[*:1]
CCOC(=O)[C@H](F)[C@@H](C)[NH2+]C[C@@H]1C[C@@]12CCc1ccccc12 CCOC(=O)[*:1] C[C@@H]([NH2+]C[C@@H]1C[C@@]12CCc1ccccc12)[C@@H](F)[*:1]
C[C@@H](CC(=O)[O-])CC(=O)NC[C@@]1(C)CCCO1 O=C([O-])[*:1] C[C@H](CC(=O)NC[C@@]1(C)CCCO1)C[*:1]
C[C@@H](CC(=O)[O-])CC(=O)NC[C@@]1(C)CCCO1 O=C([O-])C[*:1] C[C@@H](CC(=O)NC[C@@]1(C)CCCO1)[*:1]
O=c1ccc(-c2ccc(F)c(C(F)(F)F)c2)c[nH]1 FC(F)(F)[*:1] O=c1ccc(c[nH]1)-c1ccc(F)c(c1)[*:1]
CCN(CC)C(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)S[C@@H](C)C2 c1ccc(cc1)[*:1] CCN(CC)C(=O)CSc1nc2C[C@H](C)Sc2c(=O)n1C[*:1]
CCN(CC)C(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)S[C@@H](C)C2 CCN(CC)C(=O)CS[*:1] C[C@H]1Cc2nc(n(Cc3ccccc3)c(=O)c2S1)[*:1]
CCN(CC)C(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)S[C@@H](C)C2 c1ccc(cc1)C[*:1] CCN(CC)C(=O)CSc1nc2C[C@H](C)Sc2c(=O)n1[*:1]
CCN(CC)C(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)S[C@@H](C)C2 CCN(CC)C(=O)C[*:1] C[C@H]1Cc2nc(S[*:1])n(Cc3ccccc3)c(=O)c2S1
CCN(CC)C(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)S[C@@H](C)C2 CCN(CC)C(=O)[*:1] C[C@H]1Cc2nc(SC[*:1])n(Cc3ccccc3)c(=O)c2S1
Cc1nn(C)c(C)c1-c1ccnc(NCc2ccc3nonc3c2)n1 Cc1nn(C)c(C)c1[*:1] c1cc(nc(n1)NCc1ccc2nonc2c1)[*:1]
COc1ccc([C@@H]2OC[C@@H]3O[C@H](OC)[C@@H](OCc4ccccc4)[C@H](O)[C@H]3O2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H]1OC[C@@H]2O[C@H](OC)[C@@H](O[*:1])[C@H](O)[C@H]2O1
COc1ccc([C@@H]2OC[C@@H]3O[C@H](OC)[C@@H](OCc4ccccc4)[C@H](O)[C@H]3O2)cc1 c1ccc(cc1)CO[*:1] COc1ccc(cc1)[C@@H]1OC[C@@H]2O[C@H](OC)[C@@H]([C@H](O)[C@H]2O1)[*:1]
COc1ccc([C@@H]2OC[C@@H]3O[C@H](OC)[C@@H](OCc4ccccc4)[C@H](O)[C@H]3O2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1OC[C@@H]2O[C@H](OC)[C@@H](OC[*:1])[C@H](O)[C@H]2O1
COc1ccc([C@@H]2OC[C@@H]3O[C@H](OC)[C@@H](OCc4ccccc4)[C@H](O)[C@H]3O2)cc1 COc1ccc(cc1)[*:1] CO[C@H]1O[C@H]2CO[C@H](O[C@@H]2[C@@H](O)[C@@H]1OCc1ccccc1)[*:1]
O=C(NCC(F)(F)F)c1cc(C2CC2)on1 C1CC1[*:1] O=C(NCC(F)(F)F)c1cc(on1)[*:1]
O=C(NCC(F)(F)F)c1cc(C2CC2)on1 FC(F)(F)C[*:1] O=C(N[*:1])c1cc(on1)C1CC1
O=C(NCC(F)(F)F)c1cc(C2CC2)on1 FC(F)(F)[*:1] O=C(NC[*:1])c1cc(on1)C1CC1
O=C1[C@@H]([NH2+]Cc2ccn(-c3ccccc3)n2)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCN1[*:1])[NH2+]Cc1ccn(n1)-c1ccccc1
O=C1[C@@H]([NH2+]Cc2ccn(-c3ccccc3)n2)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCN1c1ccccc1)[NH2+]Cc1ccn(n1)[*:1]
CC(C)[NH+](Cc1ccc([N+](=O)[O-])cc1)CC1CC[NH2+]CC1 CC(C)[*:1] O=[N+]([O-])c1ccc(cc1)C[NH+](CC1CC[NH2+]CC1)[*:1]
CC(C)[NH+](Cc1ccc([N+](=O)[O-])cc1)CC1CC[NH2+]CC1 O=[N+]([O-])[*:1] CC(C)[NH+](Cc1ccc(cc1)[*:1])CC1CC[NH2+]CC1
C[C@@]1(c2ccccc2Br)NC(=O)N(CCOc2ccccc2)C1=O c1ccc(cc1)OC[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1Br
C[C@@]1(c2ccccc2Br)NC(=O)N(CCOc2ccccc2)C1=O c1ccc(cc1)O[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1ccccc1Br
C[C@@]1(c2ccccc2Br)NC(=O)N(CCOc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CCO[*:1])C1=O)c1ccccc1Br
C[C@@]1(c2ccccc2Br)NC(=O)N(CCOc2ccccc2)C1=O Brc1ccccc1[*:1] C[C@]1(NC(=O)N(CCOc2ccccc2)C1=O)[*:1]
Cc1csc([C@H](C)NC(=O)NCCc2cc(F)cc3c2OCOC3)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)NCCc1cc(F)cc2COCOc12)[*:1]
Cc1csc([C@H](C)NC(=O)NCCc2cc(F)cc3c2OCOC3)n1 Cc1csc(n1)[C@H](C)[*:1] O=C(NCCc1cc(F)cc2COCOc12)N[*:1]
O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1sccc1Br c1ccc(cc1)[*:1] O=C(N[C@H](CCc1ccccc1)[*:1])c1sccc1Br
O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1sccc1Br c1ccc(cc1)[*:1] O=C(N[C@H](CC[*:1])c1ccccc1)c1sccc1Br
O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1sccc1Br c1ccc(cc1)C[*:1] O=C(N[C@H](C[*:1])c1ccccc1)c1sccc1Br
O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1sccc1Br c1ccc(cc1)CC[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1sccc1Br
O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1sccc1Br Brc1ccsc1[*:1] O=C(N[C@H](CCc1ccccc1)c1ccccc1)[*:1]
CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCc1nnc(o1)[*:1]
Cc1cc(C(=O)NCC[C@@H](O)c2ccccc2)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(NCC[C@@H](O)c1ccccc1)[*:1]
Cc1cc(C(=O)NCC[C@@H](O)c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] Cc1cc([nH]n1)C(=O)NCC[C@@H](O)[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1ccc(OC(C)C)nc1)C2 CC(C)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NCc1ccc(nc1)O[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1ccc(OC(C)C)nc1)C2 CC(C)O[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NCc1ccc(nc1)[*:1]
COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccc(F)cc1)[*:1]
COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)C[*:1] COc1ccc(C)cc1NC(=O)[C@H]([NH2+][*:1])c1ccccc1
COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 COc1ccc(C)cc1[*:1] O=C(N[*:1])[C@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1
COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C[*:1])c1ccccc1
Cc1csc(-c2ccc(NC(=O)N3C[C@H]4CCCC[C@H]4C3)cc2)n1 Cc1csc(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])N1C[C@H]2CCCC[C@H]2C1
CC(C)(C)[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)[*:1]
CC(C)(C)[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)[*:1]
CC[C@](C)(NC(=O)N1CCC[C@H](C)C1)C(N)=S NC(=S)[*:1] CC[C@](C)(NC(=O)N1CCC[C@H](C)C1)[*:1]
Fc1ccccc1COc1ccc(/C=N/[C@H]2N=NC=[NH+]2)cc1 Fc1ccccc1[*:1] C1N=N[C@H](/N=C/c2ccc(cc2)OC[*:1])[NH+]=1
CCc1cc(N2CCC([NH2+]Cc3cn(C)nc3-c3ccccc3)CC2)ncn1 CCc1cc(ncn1)[*:1] Cn1cc(C[NH2+]C2CCN(CC2)[*:1])c(n1)-c1ccccc1
CCc1cc(N2CCC([NH2+]Cc3cn(C)nc3-c3ccccc3)CC2)ncn1 c1ccc(cc1)[*:1] CCc1cc(ncn1)N1CCC(CC1)[NH2+]Cc1cn(C)nc1[*:1]
CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(C)=O)C1 CNC(=O)[*:1] CC(=O)N1CC[C@H](C1)c1c(sc2ccccc12)[*:1]
C[C@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H](NC(=O)N1CCO[C@@H](C1)c1ccc(F)cc1)[*:1]
C[C@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C(=O)N1CCCCC1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCO[C@H](C1)[*:1])C(=O)N1CCCCC1
COC(=O)c1sc(NC(=O)COc2c(C)cccc2C)nc1C1CC1 Cc1cccc(C)c1[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)CO[*:1]
COC(=O)c1sc(NC(=O)COc2c(C)cccc2C)nc1C1CC1 COC(=O)[*:1] Cc1cccc(C)c1OCC(=O)Nc1nc(c(s1)[*:1])C1CC1
COC(=O)c1sc(NC(=O)COc2c(C)cccc2C)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)COc1c(C)cccc1C
CCCc1cc(NC(=O)N(C)[C@@H](C)c2ccccc2OC)n(C)n1 COc1ccccc1[*:1] CCCc1cc(NC(=O)N(C)[C@@H](C)[*:1])n(C)n1
CCCc1cc(NC(=O)N(C)[C@@H](C)c2ccccc2OC)n(C)n1 CCC[*:1] COc1ccccc1[C@H](C)N(C)C(=O)Nc1cc(nn1C)[*:1]
CCOc1ccccc1NC(=O)c1csc(Nc2ccccc2)n1 CCO[*:1] O=C(Nc1ccccc1[*:1])c1csc(n1)Nc1ccccc1
CCOc1ccccc1NC(=O)c1csc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)c1csc(n1)N[*:1]
CCOc1ccccc1NC(=O)c1csc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] CCOc1ccccc1NC(=O)c1csc(n1)[*:1]
CCN1C(=O)c2cccc3cc(S(=O)(=O)NCCCC(=O)[O-])cc(c23)C1=O O=C([O-])[*:1] CCN1C(=O)c2cccc3cc(cc(C1=O)c23)S(=O)(=O)NCCC[*:1]
CCN1C(=O)c2cccc3cc(S(=O)(=O)NCCCC(=O)[O-])cc(c23)C1=O O=C([O-])CC[*:1] CCN1C(=O)c2cccc3cc(cc(C1=O)c23)S(=O)(=O)NC[*:1]
CCN1C(=O)c2cccc3cc(S(=O)(=O)NCCCC(=O)[O-])cc(c23)C1=O O=C([O-])CCC[*:1] CCN1C(=O)c2cccc3cc(cc(C1=O)c23)S(=O)(=O)N[*:1]
CCN1C(=O)c2cccc3cc(S(=O)(=O)NCCCC(=O)[O-])cc(c23)C1=O O=C([O-])C[*:1] CCN1C(=O)c2cccc3cc(cc(C1=O)c23)S(=O)(=O)NCC[*:1]
COC[C@@H](C)NC(=O)[C@]12CC[C@](C)(c3nc(C#N)c(C#N)nc31)C2(C)C COC[C@@H](C)[*:1] CC1(C)[C@]2(C)CC[C@@]1(C(=O)N[*:1])c1nc(C#N)c(C#N)nc12
COC[C@@H](C)NC(=O)[C@]12CC[C@](C)(c3nc(C#N)c(C#N)nc31)C2(C)C COC[C@@H](C)NC(=O)[*:1] CC1(C)[C@]2(C)CC[C@@]1(c1nc(C#N)c(C#N)nc12)[*:1]
COC[C@@H](C)NC(=O)[C@]12CC[C@](C)(c3nc(C#N)c(C#N)nc31)C2(C)C COC[*:1] C[C@@H](NC(=O)[C@]12CC[C@](C)(c3nc(C#N)c(C#N)nc31)C2(C)C)[*:1]
Cn1cc(S(=O)(=O)NCc2c[nH+]n(C)c2N)cn1 Cn1cc(cn1)[*:1] Cn1[nH+]cc(CNS(=O)(=O)[*:1])c1N
Cc1[nH+]ccn1CCN1CCN(C(=O)c2c(F)cccc2F)CC1 Fc1cccc(F)c1[*:1] Cc1[nH+]ccn1CCN1CCN(CC1)C(=O)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1C[C@@H](O)C[C@@H]1[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F
C[C@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)N[*:1]
C[C@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)NC[*:1]
C[C@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)NCc1ccccc1 Clc1cccc(c1)[*:1] C[C@H](N[C@@H](C)[*:1])C(=O)NCc1ccccc1
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1C[C@@H]1CCCO1
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1C[C@@H]1CCCO1
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1OC C1CO[C@@H](C1)C[*:1] C=CCOc1ccc(cc1OC)[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1[*:1]
COc1ccccc1COC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 COc1ccccc1[*:1] O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(CC1)OC[*:1]
COc1ccccc1COC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 COc1ccccc1C[*:1] O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(CC1)O[*:1]
C[C@@H](CCCO)NC(=O)N(C)CCc1ccccn1 OCCC[*:1] C[C@@H](NC(=O)N(C)CCc1ccccn1)[*:1]
C[C@@H](CCCO)NC(=O)N(C)CCc1ccccn1 c1ccc(nc1)[*:1] C[C@@H](CCCO)NC(=O)N(C)CC[*:1]
C[C@@H](CCCO)NC(=O)N(C)CCc1ccccn1 OCC[*:1] C[C@@H](C[*:1])NC(=O)N(C)CCc1ccccn1
C[C@@H](CCCO)NC(=O)N(C)CCc1ccccn1 C[C@@H](CCCO)[*:1] CN(CCc1ccccn1)C(=O)N[*:1]
Cc1ccccc1-n1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccncc1 CC(C)[*:1] Cc1ccccc1-n1c(nnc1-c1ccncc1)S[C@@H](C)C(=O)N[C@](C)(C#N)[*:1]
Cc1ccccc1-n1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccncc1 c1cc(ccn1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C
Cc1ccccc1-n1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccncc1 Cc1ccccc1[*:1] CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1[*:1]
CC(C)CC(C)(C)CNC(=O)Nc1ccc([S@](C)=O)cc1 CC(C)CC(C)(C)[*:1] C[S@](=O)c1ccc(cc1)NC(=O)NC[*:1]
CC(C)CC(C)(C)CNC(=O)Nc1ccc([S@](C)=O)cc1 CC(C)C[*:1] C[S@](=O)c1ccc(cc1)NC(=O)NCC(C)(C)[*:1]
CC(C)CC(C)(C)CNC(=O)Nc1ccc([S@](C)=O)cc1 CC(C)[*:1] C[S@](=O)c1ccc(cc1)NC(=O)NCC(C)(C)C[*:1]
CC(C)CC(C)(C)CNC(=O)Nc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CC(C)CC(C)(C)CNC(=O)Nc1ccc(cc1)[*:1]
CCC[C@H]1CN(C(=O)Nc2ccccc2O[C@H]2CCOC2)CCO1 C1C[C@@H](CO1)[*:1] CCC[C@H]1CN(CCO1)C(=O)Nc1ccccc1O[*:1]
CCC[C@H]1CN(C(=O)Nc2ccccc2O[C@H]2CCOC2)CCO1 C1C[C@@H](CO1)O[*:1] CCC[C@H]1CN(CCO1)C(=O)Nc1ccccc1[*:1]
CCC[C@H]1CN(C(=O)Nc2ccccc2O[C@H]2CCOC2)CCO1 CCC[*:1] O=C(Nc1ccccc1O[C@H]1CCOC1)N1CCO[C@H](C1)[*:1]
C[C@H](Nc1[nH]c2ccc(N)cc2[nH+]1)c1nncn1C Cn1cnnc1[*:1] C[C@H](Nc1[nH]c2ccc(N)cc2[nH+]1)[*:1]
CCC[C@@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)[*:1]
CCC[C@@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)[*:1]
C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(F)cccc3Cl)cn2)CC1 Fc1cccc(Cl)c1[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)C[NH2+]C[*:1]
O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCC1 FC(F)O[*:1] O=C(NCc1ccccc1)NC1(CCCC1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCC1 c1ccc(cc1)[*:1] O=C(NC[*:1])NC1(CCCC1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCC1 FC(F)[*:1] O=C(NCc1ccccc1)NC1(CCCC1)C(=O)Nc1ccc(O[*:1])c(Cl)c1
O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCC1 c1ccc(cc1)C[*:1] O=C(NC1(CCCC1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N[*:1]
Cc1ccc(CN2CCC(N3CCO[C@@H](C)C3)CC2)cc1F C[C@H]1CN(CCO1)[*:1] Cc1ccc(cc1F)CN1CCC(CC1)[*:1]
Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)n1 C1CN(CCO1)[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)Nc1ccc(C)c(Cl)c1
Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)n1 Cc1ccc(cc1Cl)[*:1] Cc1nc(cc(n1)N1CCN(CC1)C(=O)N[*:1])N1CCOCC1
Cc1nc(-c2c[nH]c(C(=O)NCCc3ccc(O)cc3)c2)cs1 Oc1ccc(cc1)[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)NCC[*:1]
Cc1nc(-c2c[nH]c(C(=O)NCCc3ccc(O)cc3)c2)cs1 Cc1nc(cs1)[*:1] O=C(NCCc1ccc(O)cc1)c1cc(c[nH]1)[*:1]
O=C(N[C@H]1CCOc2c(Cl)cccc21)N1CCCN(c2nccs2)CC1 c1csc(n1)[*:1] O=C(N[C@H]1CCOc2c(Cl)cccc21)N1CCCN(CC1)[*:1]
CC(=O)N[C@H](CC(=O)NCC(=O)[O-])c1cccs1 O=C([O-])[*:1] CC(=O)N[C@H](CC(=O)NC[*:1])c1cccs1
CC(=O)N[C@H](CC(=O)NCC(=O)[O-])c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@H](CC(=O)NCC(=O)[O-])[*:1]
CC(=O)N[C@H](CC(=O)NCC(=O)[O-])c1cccs1 O=C([O-])C[*:1] CC(=O)N[C@H](CC(=O)N[*:1])c1cccs1
CC(=O)N[C@H](CC(=O)NCC(=O)[O-])c1cccs1 CC(=O)N[*:1] O=C([O-])CNC(=O)C[C@H](c1cccs1)[*:1]
Cc1nn(CCO)c(C)c1C[NH+]1CCCN(C(=O)OCC(C)C)CC1 CC(C)[*:1] Cc1nn(CCO)c(C)c1C[NH+]1CCCN(CC1)C(=O)OC[*:1]
Cc1nn(CCO)c(C)c1C[NH+]1CCCN(C(=O)OCC(C)C)CC1 CC(C)C[*:1] Cc1nn(CCO)c(C)c1C[NH+]1CCCN(CC1)C(=O)O[*:1]
Cc1nn(CCO)c(C)c1C[NH+]1CCCN(C(=O)OCC(C)C)CC1 OCC[*:1] Cc1nn(c(C)c1C[NH+]1CCCN(CC1)C(=O)OCC(C)C)[*:1]
CN(Cc1cc(Br)ccc1F)C(=O)NCc1ncn(C)n1 Cn1cnc(C[*:1])n1 CN(Cc1cc(Br)ccc1F)C(=O)N[*:1]
CN(Cc1cc(Br)ccc1F)C(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CN(Cc1cc(Br)ccc1F)C(=O)NC[*:1]
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)C2=O FC(F)(F)c1cccc(c1)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(CC1)[*:1])C2=O
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)C2=O FC(F)(F)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(CC1)c1cccc(c1)[*:1])C2=O
Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CO)Cc3ccccc3)cc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)N[C@@H](CO)[*:1]
Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CO)Cc3ccccc3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])N[C@@H](CO)Cc1ccccc1
Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CO)Cc3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)N[C@@H](CO)C[*:1]
Cc1ccc(Oc2ccc(NC(=O)N[C@@H](CO)Cc3ccccc3)cc2)cc1 Cc1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H](CO)Cc1ccccc1
Cc1cc(=O)n([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2c(C)cccc12 O=S(=O)(N1CCCC1)[*:1] Cc1cc(=O)n(c2c(C)cccc12)[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)C[*:1]
C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CC[*:1]
C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CCS(C)(=O)=O Brc1ccc(s1)[*:1] C[C@H]([NH3+])[C@H](N(C)CCS(C)(=O)=O)[*:1]
C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)[*:1]
CC(C)c1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)[*:1]
CCCN(Cc1cccnc1)C(=O)c1cscn1 CCC[*:1] O=C(c1cscn1)N(Cc1cccnc1)[*:1]
CCCN(Cc1cccnc1)C(=O)c1cscn1 c1cncc(c1)[*:1] CCCN(C[*:1])C(=O)c1cscn1
CCCN(Cc1cccnc1)C(=O)c1cscn1 c1nc(cs1)[*:1] CCCN(Cc1cccnc1)C(=O)[*:1]
O=C(Nc1ccnn1Cc1ccco1)N1CCOC[C@@H](O)C1 c1coc(c1)[*:1] O=C(Nc1ccnn1C[*:1])N1CCOC[C@@H](O)C1
O=C(Nc1ccnn1Cc1ccco1)N1CCOC[C@@H](O)C1 c1coc(c1)C[*:1] O=C(Nc1ccnn1[*:1])N1CCOC[C@@H](O)C1
COC(=O)Cc1csc(NC(=O)COc2c(C)cc(Br)cc2C)n1 COC(=O)[*:1] Cc1cc(Br)cc(C)c1OCC(=O)Nc1nc(cs1)C[*:1]
COC(=O)Cc1csc(NC(=O)COc2c(C)cc(Br)cc2C)n1 COC(=O)C[*:1] Cc1cc(Br)cc(C)c1OCC(=O)Nc1nc(cs1)[*:1]
C[C@H](C(N)=O)N1CC[NH+](CC(C)(C)C)CC1 CC(C)(C)C[*:1] C[C@H](C(N)=O)N1CC[NH+](CC1)[*:1]
C[C@H](C(N)=O)N1CC[NH+](CC(C)(C)C)CC1 C[C@H](C(N)=O)[*:1] CC(C)(C)C[NH+]1CCN(CC1)[*:1]
C[C@H](C(N)=O)N1CC[NH+](CC(C)(C)C)CC1 NC(=O)[*:1] C[C@H](N1CC[NH+](CC1)CC(C)(C)C)[*:1]
C[C@H](C(N)=O)N1CC[NH+](CC(C)(C)C)CC1 CC(C)(C)[*:1] C[C@H](C(N)=O)N1CC[NH+](CC1)C[*:1]
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1 Cc1cc(C)cc(c1)[*:1] O=C(N/N=C/c1ccc2OCOc2c1)C(=O)N[*:1]
Cc1occc1C(=O)NC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1 Cc1occc1C(=O)N[*:1] O=C1c2cc(F)ccc2CN1C[NH+]1CCC(CC1)[*:1]
Cc1occc1C(=O)NC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1 Cc1occc1[*:1] O=C1c2cc(F)ccc2CN1C[NH+]1CCC(CC1)NC(=O)[*:1]
COCCNC(=O)Cn1cc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)cn1 COCCNC(=O)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1cnn(c1)C[*:1]
COCCNC(=O)Cn1cc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)cn1 COC[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1cnn(c1)CC(=O)NC[*:1]
COCCNC(=O)Cn1cc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)cn1 COCC[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1cnn(c1)CC(=O)N[*:1]
COCCNC(=O)Cn1cc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)cn1 COCCNC(=O)C[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1cnn(c1)[*:1]
CCOc1ccc([C@H]([NH3+])CC[C@H]2CCCCO2)c(Br)c1 CCO[*:1] [NH3+][C@H](CC[C@H]1CCCCO1)c1ccc(cc1Br)[*:1]
CCOc1ccc([C@H]([NH3+])CC[C@H]2CCCCO2)c(Br)c1 C1CC[C@@H](OC1)[*:1] CCOc1ccc(c(Br)c1)[C@H]([NH3+])CC[*:1]
Cc1cc(F)c(N)cc1S(=O)(=O)NC[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)NC[*:1]
CNS(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1C CNS(=O)(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1
CNS(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1C O=S(=O)(c1ccccc1)[*:1] CNS(=O)(=O)c1ccc(cc1C)NC(=O)c1ccc(C[*:1])o1
CNS(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1C c1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(cc1C)NC(=O)c1ccc(CS(=O)(=O)[*:1])o1
CNS(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1C O=S(=O)(C[*:1])c1ccccc1 CNS(=O)(=O)c1ccc(cc1C)NC(=O)c1ccc(o1)[*:1]
Cc1cccc(O[C@H](C)CNC(=O)N(C)Cc2ccncc2)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)N(C)Cc1ccncc1)O[*:1]
Cc1cccc(O[C@H](C)CNC(=O)N(C)Cc2ccncc2)c1 c1cc(ccn1)C[*:1] Cc1cccc(c1)O[C@H](C)CNC(=O)N(C)[*:1]
Cc1cccc(O[C@H](C)CNC(=O)N(C)Cc2ccncc2)c1 c1cc(ccn1)[*:1] Cc1cccc(c1)O[C@H](C)CNC(=O)N(C)C[*:1]
Cc1cc(=O)oc2cc(OC(=O)c3scnc3C3CC3)ccc12 C1CC1[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)c1scnc1[*:1]
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2N)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)Nc1ccc(cc1N)[*:1]
Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 Cc1ccccc1[*:1] O=C(Nc1ccc(cc1)[C@H]1SCC(=O)N1[*:1])c1ccccc1
Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc(cc1)NC(=O)[*:1]
Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 O=C(N[*:1])c1ccccc1 Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc(cc1)[*:1]
COCCn1c(C)cc(C(=O)CN2CCN(C3CC3)C(=O)C2)c1C C1CC1[*:1] COCCn1c(C)cc(C(=O)CN2CCN(C(=O)C2)[*:1])c1C
COCCn1c(C)cc(C(=O)CN2CCN(C3CC3)C(=O)C2)c1C COC[*:1] Cc1cc(C(=O)CN2CCN(C(=O)C2)C2CC2)c(C)n1C[*:1]
COCCn1c(C)cc(C(=O)CN2CCN(C3CC3)C(=O)C2)c1C COCC[*:1] Cc1cc(C(=O)CN2CCN(C(=O)C2)C2CC2)c(C)n1[*:1]
C[NH2+][C@@H]1[C@H](CN2CC[NH+](CC3CC3)CC2)CCC1(C)C C1CC1[*:1] C[NH2+][C@@H]1[C@@H](CCC1(C)C)CN1CC[NH+](CC1)C[*:1]
C[NH2+][C@@H]1[C@H](CN2CC[NH+](CC3CC3)CC2)CCC1(C)C C1CC1C[*:1] C[NH2+][C@@H]1[C@@H](CCC1(C)C)CN1CC[NH+](CC1)[*:1]
CC1=C(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)[C@H](C)N=N1 Fc1ccccc1[*:1] CC1N=N[C@@H](C)C=1C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]1[*:1]
COc1cc2nc(N3CC[NH+](Cc4ccccc4)CC3)n3nc(-c4ccccc4)nc3c2cc1OC c1ccc(cc1)[*:1] COc1cc2nc(N3CC[NH+](CC3)C[*:1])n3nc(nc3c2cc1OC)-c1ccccc1
COc1cc2nc(N3CC[NH+](Cc4ccccc4)CC3)n3nc(-c4ccccc4)nc3c2cc1OC c1ccc(cc1)C[*:1] COc1cc2nc(N3CC[NH+](CC3)[*:1])n3nc(nc3c2cc1OC)-c1ccccc1
COc1cc2nc(N3CC[NH+](Cc4ccccc4)CC3)n3nc(-c4ccccc4)nc3c2cc1OC c1ccc(cc1)[*:1] COc1cc2nc(N3CC[NH+](CC3)Cc3ccccc3)n3nc(nc3c2cc1OC)[*:1]
Cn1nc(C(=O)NCCCO[C@H]2CCCc3ccccc32)ccc1=O Cn1nc(ccc1=O)[*:1] O=C(NCCCO[C@H]1CCCc2ccccc21)[*:1]
C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)C1CCC1 C1CC(C1)[*:1] C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[*:1]
C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)C1CCC1 C[C@@H](C1CCC1)[*:1] CS(=O)(=O)C[C@H](NC(=O)N[*:1])c1ccccc1
C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)C1CCC1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)N[C@@H](C[*:1])c1ccccc1)C1CCC1
C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)C1CCC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)[*:1])C1CCC1
C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)C1CCC1 CS(=O)(=O)C[*:1] C[C@@H](NC(=O)N[C@@H](c1ccccc1)[*:1])C1CCC1
CC[NH+](CC(=O)NC)C1CCC([NH3+])CC1 CNC(=O)C[*:1] CC[NH+](C1CCC([NH3+])CC1)[*:1]
CC[NH+](CC(=O)NC)C1CCC([NH3+])CC1 CNC(=O)[*:1] CC[NH+](C[*:1])C1CCC([NH3+])CC1
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C(C)C CC(C)N(C)C(=O)[*:1] Cc1nc2c(C#N)cnn2c(C)c1CC[*:1]
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C(C)C CC(C)[*:1] Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[*:1]
O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H](CO)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)N[C@@H](CO)[*:1]
O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H](CO)c1ccccc1 OC[C@@H](c1ccccc1)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)N[*:1]
O=C(CC1CCC1)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CC1CCC1)N1CCC(CC1)O[*:1]
O=C(CC1CCC1)N1CCC(OCc2ccccc2)CC1 C1CC(C1)C[*:1] O=C(N1CCC(CC1)OCc1ccccc1)[*:1]
O=C(CC1CCC1)N1CCC(OCc2ccccc2)CC1 C1CC(C1)[*:1] O=C(C[*:1])N1CCC(CC1)OCc1ccccc1
O=C(CC1CCC1)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CC1CCC1)N1CCC(CC1)OC[*:1]
O=c1[nH]cc(-c2ccc(Cl)cc2)cc1S(=O)(=O)c1ccccc1 Clc1ccc(cc1)[*:1] O=c1[nH]cc(cc1S(=O)(=O)c1ccccc1)[*:1]
O=c1[nH]cc(-c2ccc(Cl)cc2)cc1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]cc(cc1S(=O)(=O)[*:1])-c1ccc(Cl)cc1
CCCNC(=O)CCNC(=O)CN1CCC([NH3+])CC1 CCC[*:1] [NH3+]C1CCN(CC1)CC(=O)NCCC(=O)N[*:1]
CCCNC(=O)CCNC(=O)CN1CCC([NH3+])CC1 CCCNC(=O)[*:1] [NH3+]C1CCN(CC1)CC(=O)NCC[*:1]
Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2S[C@@H]2CCOC2=O)c(C)c1 c1ccc2c(cccc2c1)[*:1] Cc1ccc(c(C)c1)-n1c(C[*:1])nnc1S[C@@H]1CCOC1=O
Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2S[C@@H]2CCOC2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1OCC[C@H]1Sc1nnc(Cc2cccc3ccccc23)n1[*:1]
O=C(c1cc(-c2ccncc2)on1)N1CC=C(c2ccccc2Cl)CC1 c1cc(ccn1)[*:1] O=C(c1cc(on1)[*:1])N1CC=C(CC1)c1ccccc1Cl
O=C(c1cc(-c2ccncc2)on1)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(c1cc(on1)-c1ccncc1)N1CC=C(CC1)[*:1]
O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC=C(c2ccc(O)cc2)CC1 FC(F)(F)[*:1] O=C([C@H]1C[C@H]1c1ccccc1[*:1])N1CC=C(CC1)c1ccc(O)cc1
O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC=C(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC=C(CC1)[*:1]
Cc1cc2ncc([C@@H](C)NC[C@@H](C)c3ccc(F)c(F)c3)c(C)n2n1 Fc1ccc(cc1F)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)NC[C@@H](C)[*:1]
COc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)Nc1cnn(c1)C[*:1]
COc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1OC Clc1ccc(cc1)C[*:1] COc1ccc(cc1OC)C(=O)Nc1cnn(c1)[*:1]
CC(C)CS(=O)(=O)N(C)c1ccccc1F CC(C)C[*:1] CN(c1ccccc1F)S(=O)(=O)[*:1]
CC(C)CS(=O)(=O)N(C)c1ccccc1F CC(C)[*:1] CN(c1ccccc1F)S(=O)(=O)C[*:1]
COc1cc(-c2noc(CN3C[C@H](C)c4ccccc43)n2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])-c1noc(CN2C[C@H](C)c3ccccc32)n1
COc1cc(-c2noc(CN3C[C@H](C)c4ccccc43)n2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])-c1noc(CN2C[C@H](C)c3ccccc32)n1
Cc1nc(COC(=O)c2ccc(OCc3nccn3C)cc2)oc1C Cc1nc(C[*:1])oc1C Cn1ccnc1COc1ccc(cc1)C(=O)O[*:1]
Cc1nc(COC(=O)c2ccc(OCc3nccn3C)cc2)oc1C Cn1ccnc1CO[*:1] Cc1nc(COC(=O)c2ccc(cc2)[*:1])oc1C
Cc1nc(COC(=O)c2ccc(OCc3nccn3C)cc2)oc1C Cn1ccnc1[*:1] Cc1nc(COC(=O)c2ccc(cc2)OC[*:1])oc1C
Cc1nc(COC(=O)c2ccc(OCc3nccn3C)cc2)oc1C Cn1ccnc1C[*:1] Cc1nc(COC(=O)c2ccc(cc2)O[*:1])oc1C
Cc1nc(COC(=O)c2ccc(OCc3nccn3C)cc2)oc1C Cc1nc(oc1C)[*:1] Cn1ccnc1COc1ccc(cc1)C(=O)OC[*:1]
COc1cccc(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)CC(=O)N[C@H]1CCCN(C1=O)[*:1]
COc1cccc(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)N[C@H]1CCCN(C[*:1])C1=O
COc1cccc(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N[C@H]1CCCN(Cc2ccccc2)C1=O
CCOC[C@@H]1CCCN(C(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)C1 CCO[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)C(=O)N1CCC[C@H](C1)C[*:1]
CCOC[C@@H]1CCCN(C(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)C1 Cc1cc(C)n(n1)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)c1ccc(c(F)c1)[*:1]
CCOC[C@@H]1CCCN(C(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)C1 CCOC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)C(=O)N1CCC[C@H](C1)[*:1]
N#C[C@H](c1ccccc1)N1CCN(Cc2csc(-c3ccoc3)n2)CC1 c1cc(co1)[*:1] N#C[C@H](c1ccccc1)N1CCN(CC1)Cc1csc(n1)[*:1]
N#C[C@H](c1ccccc1)N1CCN(Cc2csc(-c3ccoc3)n2)CC1 c1ccc(cc1)[*:1] N#C[C@H](N1CCN(CC1)Cc1csc(n1)-c1ccoc1)[*:1]
COC(=O)CNC(=O)c1ccc(NCc2nc(C)no2)cc1 Cc1noc(n1)[*:1] COC(=O)CNC(=O)c1ccc(cc1)NC[*:1]
COC(=O)CNC(=O)c1ccc(NCc2nc(C)no2)cc1 COC(=O)[*:1] Cc1noc(CNc2ccc(cc2)C(=O)NC[*:1])n1
COC(=O)CNC(=O)c1ccc(NCc2nc(C)no2)cc1 Cc1noc(C[*:1])n1 COC(=O)CNC(=O)c1ccc(cc1)N[*:1]
COC(=O)CNC(=O)c1ccc(NCc2nc(C)no2)cc1 COC(=O)C[*:1] Cc1noc(CNc2ccc(cc2)C(=O)N[*:1])n1
C[C@@H](Cl)c1nc2cccnc2n1[C@@H]1CCCC1(C)C C[C@@H](Cl)[*:1] CC1(C)CCC[C@H]1n1c(nc2cccnc21)[*:1]
O=C(NC1CCN(C(=S)NCc2ccco2)CC1)c1ccc(F)cc1 c1coc(c1)C[*:1] O=C(NC1CCN(CC1)C(=S)N[*:1])c1ccc(F)cc1
O=C(NC1CCN(C(=S)NCc2ccco2)CC1)c1ccc(F)cc1 c1coc(c1)[*:1] O=C(NC1CCN(CC1)C(=S)NC[*:1])c1ccc(F)cc1
O=C(NC1CCN(C(=S)NCc2ccco2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=S)NCc1ccco1)[*:1]
COc1ccc(NC(=O)CNC(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)CNC(=O)[*:1]
COc1cccc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c1OC Clc1cccc(c1)[*:1] COc1cccc(C(=O)N(C)[C@@H](C)[*:1])c1OC
Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)s2)cc1 Cc1ccc(cc1)N[*:1] O=C(CSc1nnc(s1)[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnc(N[*:1])s1)Nc1ccc2[nH]c(=O)[nH]c2c1
N/C(=N\OC(=O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N/C(=N\OC(=O)c1c(F)cccc1F)c1cccc(c1)[*:1]
O=C(Nc1ccc(-n2ccnc2)nc1)c1cccc2cn[nH]c12 c1cn(cn1)[*:1] O=C(Nc1ccc(nc1)[*:1])c1cccc2cn[nH]c12
CCOC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 CCOC(=O)[*:1] C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(cc2)[*:1])[C@H]1C
CCCCc1noc([C@H]2C=CC(=N)S2)n1 CCC[*:1] N=C1C=C[C@@H](S1)c1nc(C[*:1])no1
CCCCc1noc([C@H]2C=CC(=N)S2)n1 CCCC[*:1] N=C1C=C[C@@H](S1)c1nc(no1)[*:1]
O=C(Nc1cc(F)cc(F)c1)N1CCC[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1cc(F)cc(F)c1)N1CCC[C@H]1[*:1]
Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cccc(C=O)c2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](NC(=O)[C@@H](C)Oc1cccc(C=O)c1)[*:1]
Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cccc(C=O)c2)C2CC2)cc1 O=Cc1cccc(c1)[*:1] Cc1ccc(cc1)[C@H](NC(=O)[C@@H](C)O[*:1])C1CC1
Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cccc(C=O)c2)C2CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Oc1cccc(C=O)c1)C(=O)N[C@H](C1CC1)[*:1]
C/C=C(C)\C=C\C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 C/C=C(/C)C=C[*:1] O=C1NCCN(C(=O)[*:1])[C@@H]1c1ccc(cc1)C(F)(F)F
C/C=C(C)\C=C\C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 CC=C(C)[*:1] O=C1NCCN(C(=O)C=C[*:1])[C@@H]1c1ccc(cc1)C(F)(F)F
C/C=C(C)\C=C\C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C/C=C(C)\C=C\C(=O)N1CCNC(=O)[C@H]1c1ccc(cc1)[*:1]
C[C@@H](CC(=O)N[C@@H](CC(N)=O)C1CCCCC1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](CC(=O)N[C@@H](CC(N)=O)C1CCCCC1)[*:1]
C[C@@H](CC(=O)N[C@@H](CC(N)=O)C1CCCCC1)c1cccc(F)c1 NC(=O)[*:1] C[C@@H](CC(=O)N[C@@H](C[*:1])C1CCCCC1)c1cccc(F)c1
C[C@@H](CC(=O)N[C@@H](CC(N)=O)C1CCCCC1)c1cccc(F)c1 NC(=O)C[*:1] C[C@@H](CC(=O)N[C@@H](C1CCCCC1)[*:1])c1cccc(F)c1
C[C@@H](CC(=O)N[C@@H](CC(N)=O)C1CCCCC1)c1cccc(F)c1 C1CCC(CC1)[*:1] C[C@@H](CC(=O)N[C@@H](CC(N)=O)[*:1])c1cccc(F)c1
O=C1N[C@H](c2ccccn2)Nc2sc3c(c21)CCC3 c1ccc(nc1)[*:1] O=C1N[C@H](Nc2sc3CCCc3c21)[*:1]
NC(=S)c1c(F)cccc1N1CCCCCC1 NC(=S)[*:1] Fc1cccc(c1[*:1])N1CCCCCC1
CCOC[C@H]1CCN(C(=O)[C@H]2SCCc3ccccc32)C1 CCOC[*:1] O=C([C@H]1SCCc2ccccc21)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)[C@H]2SCCc3ccccc32)C1 CCO[*:1] O=C([C@H]1SCCc2ccccc21)N1CC[C@@H](C1)C[*:1]
CCC(=O)Oc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC CCC(=O)O[*:1] COc1cc(ccc1[*:1])[C@H]1Nc2ccc3ccccc3c2C2CCCC(=O)C=21
C[C@@H](NC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)C(=O)NC1CC1)c1ccccc1[*:1]
C[C@@H](NC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1ccccc1C(F)(F)F O=C(NC1CC1)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccccc1C(F)(F)F
C[C@@H](NC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1ccccc1C(F)(F)F C1CC1[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1C(F)(F)F
O=C(COC(=O)c1cccc(OC(F)F)c1)NC(=O)NC1CCCCC1 FC(F)O[*:1] O=C(COC(=O)c1cccc(c1)[*:1])NC(=O)NC1CCCCC1
O=C(COC(=O)c1cccc(OC(F)F)c1)NC(=O)NC1CCCCC1 FC(F)[*:1] O=C(COC(=O)c1cccc(c1)O[*:1])NC(=O)NC1CCCCC1
O=C(COC(=O)c1cccc(OC(F)F)c1)NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COC(=O)c1cccc(c1)OC(F)F)NC(=O)N[*:1]
C[C@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](C(=O)N1CCN(CC1)C(=O)C(=O)N1CCOCC1)[*:1]
CCOc1ccccc1N1C[C@H](C(=O)N(C2CC2)[C@@H](C)c2ccco2)CC1=O C1CC1[*:1] CCOc1ccccc1N1C[C@@H](CC1=O)C(=O)N([C@@H](C)c1ccco1)[*:1]
CCOc1ccccc1N1C[C@H](C(=O)N(C2CC2)[C@@H](C)c2ccco2)CC1=O CCOc1ccccc1[*:1] C[C@@H](c1ccco1)N(C(=O)[C@@H]1CC(=O)N(C1)[*:1])C1CC1
CCOc1ccccc1N1C[C@H](C(=O)N(C2CC2)[C@@H](C)c2ccco2)CC1=O C[C@@H](c1ccco1)[*:1] CCOc1ccccc1N1C[C@@H](CC1=O)C(=O)N(C1CC1)[*:1]
CCOc1ccccc1N1C[C@H](C(=O)N(C2CC2)[C@@H](C)c2ccco2)CC1=O CCO[*:1] C[C@@H](c1ccco1)N(C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1[*:1])C1CC1
CCOc1ccccc1N1C[C@H](C(=O)N(C2CC2)[C@@H](C)c2ccco2)CC1=O c1coc(c1)[*:1] CCOc1ccccc1N1C[C@@H](CC1=O)C(=O)N(C1CC1)[C@@H](C)[*:1]
Cc1ccccc1OCC(=O)N/N=C\c1ccc2c(c1)OCO2 Cc1ccccc1[*:1] O=C(CO[*:1])N/N=C\c1ccc2OCOc2c1
CO[C@@H]1[C@H](OC(C)=O)O[C@@H](C)[C@@H](OC)[C@@H]1OC CC(=O)O[*:1] CO[C@H]1[C@@H](OC)[C@H](OC)[C@H](C)O[C@@H]1[*:1]
COc1ccc2nc(-c3ccc(F)c(NC(=O)C(C)(C)C)c3)cn2n1 CC(C)(C)[*:1] COc1ccc2nc(cn2n1)-c1ccc(F)c(c1)NC(=O)[*:1]
COc1ccc2nc(-c3ccc(F)c(NC(=O)C(C)(C)C)c3)cn2n1 CC(C)(C)C(=O)N[*:1] COc1ccc2nc(cn2n1)-c1ccc(F)c(c1)[*:1]
CCCNC(=O)NC(=O)CSc1nnc(N)s1 CCC[*:1] Nc1nnc(SCC(=O)NC(=O)N[*:1])s1
CS(=O)(=O)c1ccc(O[C@@H](F)C(=O)[O-])cc1 CS(=O)(=O)[*:1] O=C([O-])[C@H](F)Oc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(O[C@@H](F)C(=O)[O-])cc1 O=C([O-])[*:1] CS(=O)(=O)c1ccc(cc1)O[C@@H](F)[*:1]
C[NH+](C)CCNC(=O)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1 O=C(N[*:1])C1CC1 C[NH+](C)CCNC(=O)c1ccc(cc1N1CCCCCC1)[*:1]
C[NH+](C)CCNC(=O)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1 C1CCCN(CC1)[*:1] C[NH+](C)CCNC(=O)c1ccc(cc1[*:1])NC(=O)C1CC1
C[NH+](C)CCNC(=O)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1 C1CC1[*:1] C[NH+](C)CCNC(=O)c1ccc(cc1N1CCCCCC1)NC(=O)[*:1]
CC[NH2+][C@@H](Cc1ccc(Cl)s1)C1([NH+]2CCCC2)CCCC1 Clc1ccc(s1)[*:1] CC[NH2+][C@@H](C[*:1])C1(CCCC1)[NH+]1CCCC1
CC[NH2+][C@@H](Cc1ccc(Cl)s1)C1([NH+]2CCCC2)CCCC1 Clc1ccc(C[*:1])s1 CC[NH2+][C@@H](C1(CCCC1)[NH+]1CCCC1)[*:1]
Nc1nc(Cl)cc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)n1 Nc1nc(Cl)cc(n1)[*:1] O=C(C[NH+]1CCN(CC1)[*:1])N1CCCCCC1
CS(=O)(=O)c1ccccc1NC(=O)C(=O)NCc1cccc(F)c1 CS(=O)(=O)[*:1] O=C(NCc1cccc(F)c1)C(=O)Nc1ccccc1[*:1]
CS(=O)(=O)c1ccccc1NC(=O)C(=O)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] CS(=O)(=O)c1ccccc1NC(=O)C(=O)NC[*:1]
CS(=O)(=O)c1ccccc1NC(=O)C(=O)NCc1cccc(F)c1 Fc1cccc(c1)C[*:1] CS(=O)(=O)c1ccccc1NC(=O)C(=O)N[*:1]
C[C@H](CNC(=O)c1cccc2cc[nH]c12)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CNC(=O)c1cccc2cc[nH]c12)O[*:1]
C[C@H](O)C[C@H](Cc1cccc(Br)c1)C(=O)[O-] C[C@H](O)[*:1] O=C([O-])[C@@H](Cc1cccc(Br)c1)C[*:1]
C[C@H](O)C[C@H](Cc1cccc(Br)c1)C(=O)[O-] O=C([O-])[*:1] C[C@H](O)C[C@H](Cc1cccc(Br)c1)[*:1]
C[C@H](O)C[C@H](Cc1cccc(Br)c1)C(=O)[O-] C[C@H](O)C[*:1] O=C([O-])[C@@H](Cc1cccc(Br)c1)[*:1]
CN(C)/C=N/C(=O)NOCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(C)/C=N/C(=O)NOCc1ccc(cc1)[*:1]
C=C(C)COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1 C=C(C)CO[*:1] C[C@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
C=C(C)COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1 C=C(C)C[*:1] C[C@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)O[*:1]
C=C(C)COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1 C=C(C)[*:1] C[C@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)OC[*:1]
C[C@@H]1CC[C@@H](C)N(C(=O)CCNC(=O)c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)CCNC(=O)[*:1]
Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2=O)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)N1C[C@H](CC1=O)c1nnc(NC(=O)[*:1])s1
Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2=O)c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)N1C[C@H](CC1=O)c1nnc(NC(=O)c2ccc(cc2)[*:1])s1
CCC[NH+](CC(=O)NC)Cc1c(F)cccc1N1CCCC1 CNC(=O)[*:1] CCC[NH+](Cc1c(F)cccc1N1CCCC1)C[*:1]
CCC[NH+](CC(=O)NC)Cc1c(F)cccc1N1CCCC1 CNC(=O)C[*:1] CCC[NH+](Cc1c(F)cccc1N1CCCC1)[*:1]
CCC[NH+](CC(=O)NC)Cc1c(F)cccc1N1CCCC1 C1CCN(C1)[*:1] CCC[NH+](CC(=O)NC)Cc1c(F)cccc1[*:1]
CCC[NH+](CC(=O)NC)Cc1c(F)cccc1N1CCCC1 CCC[*:1] CNC(=O)C[NH+](Cc1c(F)cccc1N1CCCC1)[*:1]
COCc1ccc([C@@H]2C[NH2+][C@@H](C)[C@@H](C)O2)cc1 COC[*:1] C[C@@H]1[NH2+]C[C@H](O[C@@H]1C)c1ccc(cc1)[*:1]
Fc1ccccc1-c1cnc(CNCCc2ccccc2Cl)s1 Fc1ccccc1[*:1] Clc1ccccc1CCNCc1ncc(s1)[*:1]
Fc1ccccc1-c1cnc(CNCCc2ccccc2Cl)s1 Clc1ccccc1[*:1] Fc1ccccc1-c1cnc(CNCC[*:1])s1
Cc1ccc(-n2nnn(CN(CCC#N)CCC#N)c2=S)cc1C N#CC[*:1] Cc1ccc(cc1C)-n1nnn(CN(CCC#N)C[*:1])c1=S
Cc1ccc(-n2nnn(CN(CCC#N)CCC#N)c2=S)cc1C N#CCC[*:1] Cc1ccc(cc1C)-n1nnn(CN(CCC#N)[*:1])c1=S
Cc1ccc(-n2nnn(CN(CCC#N)CCC#N)c2=S)cc1C Cc1ccc(cc1C)[*:1] N#CCCN(CCC#N)Cn1nnn(c1=S)[*:1]
OCCn1c(C2CC2)nc2ccc(Cl)cc21 OCC[*:1] Clc1ccc2nc(C3CC3)n(c2c1)[*:1]
OCCn1c(C2CC2)nc2ccc(Cl)cc21 C1CC1[*:1] OCCn1c(nc2ccc(Cl)cc21)[*:1]
COC[C@H]([NH3+])[C@H](O)c1ccccc1 COC[*:1] [NH3+][C@H]([C@H](O)c1ccccc1)[*:1]
C[C@@H](COc1ccc(F)cc1F)NC(=O)N(C)Cc1ncnn1C Cn1ncnc1[*:1] C[C@@H](COc1ccc(F)cc1F)NC(=O)N(C)C[*:1]
C[C@@H](COc1ccc(F)cc1F)NC(=O)N(C)Cc1ncnn1C Fc1ccc(c(F)c1)[*:1] C[C@@H](CO[*:1])NC(=O)N(C)Cc1ncnn1C
C[C@@H](COc1ccc(F)cc1F)NC(=O)N(C)Cc1ncnn1C Cn1ncnc1C[*:1] C[C@@H](COc1ccc(F)cc1F)NC(=O)N(C)[*:1]
CC(C)c1cc(N2CCC[C@@H](c3cn[nH]c3)C2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1cc(nc([nH+]1)[*:1])N1CCC[C@H](C1)c1cn[nH]c1
CC(C)c1cc(N2CCC[C@@H](c3cn[nH]c3)C2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1nc(cc([nH+]1)[*:1])N1CCC[C@H](C1)c1cn[nH]c1
CC(C)c1cc(N2CCC[C@@H](c3cn[nH]c3)C2)nc(C(C)C)[nH+]1 c1n[nH]cc1[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N1CCC[C@@H](C1)[*:1]
Cc1cc(C)n(-c2cncc(S[C@@H](C)[C@H](C)O)n2)n1 C[C@H](O)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)S[C@@H](C)[*:1]
Cc1cccc([C@H](C)CNC(=O)c2c(F)cccc2F)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)c1c(F)cccc1F)[*:1]
CC1(C)CSC[C@](Nc2ccccc2Cl)(C(=O)[O-])C1 O=C([O-])[*:1] CC1(C)CSC[C@@](C1)(Nc1ccccc1Cl)[*:1]
C/C(=N/NC(=O)[C@H]1C=C(C(C)C)N=N1)c1ccccc1Cl Clc1ccccc1[*:1] CC(=NNC(=O)[C@H]1C=C(N=N1)C(C)C)[*:1]
C/C(=N/NC(=O)[C@H]1C=C(C(C)C)N=N1)c1ccccc1Cl CC(C)[*:1] C/C(=N/NC(=O)[C@H]1C=C(N=N1)[*:1])c1ccccc1Cl
Cc1cccc(CNC(=O)Nc2ccnn2C2CCCCC2)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])Nc1ccnn1C1CCCCC1
Cc1cccc(CNC(=O)Nc2ccnn2C2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)CNC(=O)Nc1ccnn1[*:1]
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] C[C@H](OC(=O)CN1C(=O)c2cccc(c2C1=O)[N+](=O)[O-])C(=O)N[*:1]
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccc(F)cc1Cl O=[N+]([O-])[*:1] C[C@H](OC(=O)CN1C(=O)c2cccc(c2C1=O)[*:1])C(=O)Nc1ccc(F)cc1Cl
CCOC(=O)[C@]1(N)CC[C@@H](Oc2cccc(N(C)C)c2)C1 CCOC(=O)[*:1] CN(C)c1cccc(c1)O[C@@H]1CC[C@@](N)(C1)[*:1]
CCOC(=O)[C@]1(N)CC[C@@H](Oc2cccc(N(C)C)c2)C1 CN(C)[*:1] CCOC(=O)[C@]1(N)CC[C@H](C1)Oc1cccc(c1)[*:1]
CCOc1ccc(C(=O)N[C@@](C)(CC(C)C)C(N)=O)cn1 CC(C)C[*:1] CCOc1ccc(cn1)C(=O)N[C@@](C)(C(N)=O)[*:1]
CCOc1ccc(C(=O)N[C@@](C)(CC(C)C)C(N)=O)cn1 NC(=O)[*:1] CCOc1ccc(cn1)C(=O)N[C@@](C)(CC(C)C)[*:1]
CCOc1ccc(C(=O)N[C@@](C)(CC(C)C)C(N)=O)cn1 CCO[*:1] CC(C)C[C@](C)(NC(=O)c1ccc(nc1)[*:1])C(N)=O
CCOc1ccc(C(=O)N[C@@](C)(CC(C)C)C(N)=O)cn1 CC(C)[*:1] CCOc1ccc(cn1)C(=O)N[C@@](C)(C[*:1])C(N)=O
O=C(CSc1ncc[nH]1)N1CCC[C@H]2CCCC[C@@H]21 c1c[nH]c(n1)[*:1] O=C(CS[*:1])N1CCC[C@H]2CCCC[C@@H]21
O=C(CSc1ncc[nH]1)N1CCC[C@H]2CCCC[C@@H]21 c1c[nH]c(n1)S[*:1] O=C(C[*:1])N1CCC[C@H]2CCCC[C@@H]21
COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(C#N)cc2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])S(=O)(=O)N[C@@H](C)c1ccc(C#N)cc1
COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(C#N)cc2)oc1C N#Cc1ccc(cc1)[*:1] COC(=O)c1cc(oc1C)S(=O)(=O)N[C@@H](C)[*:1]
CC(C)(C#N)[C@@H](O)c1ccc(C2CC2)cc1 C1CC1[*:1] CC(C)(C#N)[C@@H](O)c1ccc(cc1)[*:1]
CC(C)(C#N)[C@@H](O)c1ccc(C2CC2)cc1 CC(C)(C#N)[*:1] O[C@@H](c1ccc(cc1)C1CC1)[*:1]
N#Cc1ncn(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)n1 c1ccc(cc1)C[*:1] N#Cc1ncn(CC(=O)Nc2ccccc2C(=O)N[*:1])n1
N#Cc1ncn(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)n1 c1ccc(cc1)[*:1] N#Cc1ncn(CC(=O)Nc2ccccc2C(=O)NC[*:1])n1
Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N1CCCC1=O O=C1CCCN1C(=O)[*:1] Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OC[*:1]
Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N1CCCC1=O O=C1CCCN1C(=O)C[*:1] Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)O[*:1]
Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N1CCCC1=O Cc1cc(F)ccc1[*:1] O=C(OCC(=O)N1CCCC1=O)c1ccccc1NS(=O)(=O)[*:1]
Cc1cc(SCC(=O)NC2(C#N)CCCCC2)nc2ccccc12 N#CC1(CCCCC1)[*:1] Cc1cc(nc2ccccc12)SCC(=O)N[*:1]
Cc1cccnc1C[C@H]([NH3+])[C@@H](C)C(C)C CC(C)[*:1] Cc1cccnc1C[C@H]([NH3+])[C@@H](C)[*:1]
Cc1cccnc1C[C@H]([NH3+])[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] Cc1cccnc1C[C@H]([NH3+])[*:1]
CCOC(=O)[C@@H]1CNCCN1C(=O)N1CCCC1 CCOC(=O)[*:1] O=C(N1CCCC1)N1CCNC[C@H]1[*:1]
Cc1cccc([C@]2(Cc3c(F)cccc3Cl)NC(N)=NC2=O)c1 Cc1cccc(c1)[*:1] NC1=NC(=O)[C@](Cc2c(F)cccc2Cl)(N1)[*:1]
Cc1ccccc1Cc1noc(CSc2ccncc2)n1 Cc1ccccc1[*:1] c1cc(ccn1)SCc1nc(C[*:1])no1
Cc1ccccc1Cc1noc(CSc2ccncc2)n1 c1cc(ccn1)S[*:1] Cc1ccccc1Cc1noc(C[*:1])n1
Cc1ccccc1Cc1noc(CSc2ccncc2)n1 c1cc(ccn1)[*:1] Cc1ccccc1Cc1noc(CS[*:1])n1
Fc1ccc(-n2nnnc2CSc2ccccn2)cc1 c1ccc(nc1)[*:1] Fc1ccc(cc1)-n1nnnc1CS[*:1]
CCC(CC)(c1ccccc1)[C@H]([NH3+])C=C(C)C CC(C)=C[*:1] CCC(CC)(c1ccccc1)[C@H]([NH3+])[*:1]
O=C(c1ccc(-n2cccn2)cc1)N1CCC2(CC1)Nc1ccccc1NC2=O c1cnn(c1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC2(CC1)Nc1ccccc1NC2=O
CCCN[C@]1(C(=O)OC)CC[C@H](n2cc(Cl)cn2)C1 CCCN[*:1] COC(=O)[C@@]1(CC[C@@H](C1)n1cc(Cl)cn1)[*:1]
CCCN[C@]1(C(=O)OC)CC[C@H](n2cc(Cl)cn2)C1 COC(=O)[*:1] CCCN[C@@]1(CC[C@@H](C1)n1cc(Cl)cn1)[*:1]
CCCN[C@]1(C(=O)OC)CC[C@H](n2cc(Cl)cn2)C1 CCC[*:1] COC(=O)[C@]1(CC[C@@H](C1)n1cc(Cl)cn1)N[*:1]
CCCN[C@]1(C(=O)OC)CC[C@H](n2cc(Cl)cn2)C1 Clc1cnn(c1)[*:1] CCCN[C@@]1(CC[C@H](C1)[*:1])C(=O)OC
COc1ccc(NC(=O)N(C)[C@H](C)c2ccccn2)cc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1ccc(cc1[*:1])NC(=O)N(C)[C@H](C)c1ccccn1
COc1ccc(NC(=O)N(C)[C@H](C)c2ccccn2)cc1OCC(F)(F)F c1ccc(nc1)[*:1] COc1ccc(cc1OCC(F)(F)F)NC(=O)N(C)[C@H](C)[*:1]
COc1ccc(NC(=O)N(C)[C@H](C)c2ccccn2)cc1OCC(F)(F)F FC(F)(F)C[*:1] COc1ccc(cc1O[*:1])NC(=O)N(C)[C@H](C)c1ccccn1
COc1ccc(NC(=O)N(C)[C@H](C)c2ccccn2)cc1OCC(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1OC[*:1])NC(=O)N(C)[C@H](C)c1ccccn1
CCOC(=O)C1=C(CN2CC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1cccs1 CCOC(=O)[*:1] O=C1NC(CN2CC[C@@H](C2)c2ccccc2)=C([C@H](N1)c1cccs1)[*:1]
CCOC(=O)C1=C(CN2CC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1cccs1 c1csc(c1)[*:1] CCOC(=O)C1=C(CN2CC[C@@H](C2)c2ccccc2)NC(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(CN2CC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1cccs1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(CN2CC[C@H](C2)[*:1])NC(=O)N[C@@H]1c1cccs1
CC(C)C[NH+](Cc1cccc(N)n1)CC(C)C CC(C)[*:1] CC(C)C[NH+](Cc1cccc(N)n1)C[*:1]
CC(C)C[NH+](Cc1cccc(N)n1)CC(C)C CC(C)C[*:1] CC(C)C[NH+](Cc1cccc(N)n1)[*:1]
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C#N)C1 Cc1occc1[*:1] CCC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C#N)C1 CCC(C)(C)[*:1] Cc1occc1C(=O)Nc1sc2C[C@H](CCc2c1C#N)[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cccc(c1)NS(=O)(=O)[*:1])N1CCOCC1
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[*:1]
CC(C)CCC(=O)NCC(=O)N[C@H]1c2ccccc2C[C@@H]1O CC(C)CC[*:1] O=C(CNC(=O)[*:1])N[C@H]1c2ccccc2C[C@@H]1O
CC(C)CCC(=O)NCC(=O)N[C@H]1c2ccccc2C[C@@H]1O CC(C)C[*:1] O=C(C[*:1])NCC(=O)N[C@H]1c2ccccc2C[C@@H]1O
CC(C)CCC(=O)NCC(=O)N[C@H]1c2ccccc2C[C@@H]1O CC(C)[*:1] O=C(CC[*:1])NCC(=O)N[C@H]1c2ccccc2C[C@@H]1O
COC(=O)c1cccc(CSc2nc3ccsc3c(=O)n2C)c1 COC(=O)[*:1] Cn1c(nc2ccsc2c1=O)SCc1cccc(c1)[*:1]
COC(=O)c1c(NC(=O)c2ccc(SC)cc2)sc2c1CCN(Cc1ccccc1)C2 CSc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)Cc1ccccc1
COC(=O)c1c(NC(=O)c2ccc(SC)cc2)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)c2ccc(cc2)SC)sc2CN(CCc21)C[*:1]
COC(=O)c1c(NC(=O)c2ccc(SC)cc2)sc2c1CCN(Cc1ccccc1)C2 COC(=O)[*:1] CSc1ccc(cc1)C(=O)Nc1sc2CN(CCc2c1[*:1])Cc1ccccc1
COC(=O)c1c(NC(=O)c2ccc(SC)cc2)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] COC(=O)c1c(NC(=O)c2ccc(cc2)SC)sc2CN(CCc21)[*:1]
CS[C@H](C)c1cccc(NC(=O)c2scnc2C2CC2)c1 CS[C@H](C)[*:1] O=C(Nc1cccc(c1)[*:1])c1scnc1C1CC1
CS[C@H](C)c1cccc(NC(=O)c2scnc2C2CC2)c1 C1CC1[*:1] CS[C@H](C)c1cccc(c1)NC(=O)c1scnc1[*:1]
CCCCC[NH2+]Cc1ccc(Br)cc1 CCC[*:1] Brc1ccc(cc1)C[NH2+]CC[*:1]
CCCCC[NH2+]Cc1ccc(Br)cc1 CCCC[*:1] Brc1ccc(cc1)C[NH2+]C[*:1]
CC1(NC(=O)c2cccc(OCC(N)=O)c2)Cc2ccccc2C1 NC(=O)[*:1] CC1(Cc2ccccc2C1)NC(=O)c1cccc(c1)OC[*:1]
CC1(NC(=O)c2cccc(OCC(N)=O)c2)Cc2ccccc2C1 NC(=O)C[*:1] CC1(Cc2ccccc2C1)NC(=O)c1cccc(c1)O[*:1]
CC1(NC(=O)c2cccc(OCC(N)=O)c2)Cc2ccccc2C1 NC(=O)CO[*:1] CC1(Cc2ccccc2C1)NC(=O)c1cccc(c1)[*:1]
[NH3+]C1(CC(=O)Nc2ccc(SC(F)F)cc2)CCC1 FC(F)S[*:1] [NH3+]C1(CCC1)CC(=O)Nc1ccc(cc1)[*:1]
[NH3+]C1(CC(=O)Nc2ccc(SC(F)F)cc2)CCC1 FC(F)[*:1] [NH3+]C1(CCC1)CC(=O)Nc1ccc(cc1)S[*:1]
Nc1cccc(-c2noc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Nc1cccc(c1)-c1noc(n1)[*:1]
Nc1nc2ncc3c(n2n1)C[C@H](c1ccco1)CC3=O c1coc(c1)[*:1] Nc1nc2ncc3C(=O)C[C@@H](Cc3n2n1)[*:1]
Cc1ccc(C)c(-c2nonc2NC(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)-c1nonc1NC(=O)[*:1]
CCCn1nccc1NC(=O)c1ccncc1Cl CCC[*:1] O=C(Nc1ccnn1[*:1])c1ccncc1Cl
Cc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)c2C)cc1 CC(C)(C)c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nnc(-c2nsc(n2)NC(=O)[*:1])c1C
Cc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])-c1nsc(n1)NC(=O)c1ccc(cc1)C(C)(C)C
Cc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)c2C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)-n1nnc(-c2nsc(n2)NC(=O)c2ccc(cc2)[*:1])c1C
Cc1cc([C@H]2CCCN(C(=O)c3cc(Br)c[nH]3)C2)n[nH]1 Brc1c[nH]c(c1)[*:1] Cc1cc(n[nH]1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cc([C@H]2CCCN(C(=O)c3cc(Br)c[nH]3)C2)n[nH]1 Cc1cc(n[nH]1)[*:1] O=C(c1cc(Br)c[nH]1)N1CCC[C@@H](C1)[*:1]
O=C(NC1CCCC1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 c1coc(c1)[*:1] O=C(NC1CCCC1)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
O=C(NC1CCCC1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 O=C(NC1CCCC1)[*:1] O=C(c1ccco1)N1Cc2ccccc2C[C@H]1[*:1]
O=C(NC1CCCC1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 C1CCC(C1)[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
CC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CC[*:1]
CC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 CC(=O)[*:1] O=C(CCc1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@H]1c1ccccn1 c1ccc(nc1)[*:1] C[C@H](Oc1ccc2CCCc2c1)C(=O)N1CCC[C@@H]1[*:1]
Cc1cc(C(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)no1 Cc1cc(no1)[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)C1CC1)[*:1]
Cc1cc(C(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)no1 C1CC1[*:1] Cc1cc(no1)C(=O)NCC1CCN(CC1)S(=O)(=O)[*:1]
C[NH+]1CCCN(CCOc2ccc(CC[NH3+])cc2)CC1 [NH3+]CC[*:1] C[NH+]1CCCN(CCOc2ccc(cc2)[*:1])CC1
CCN(C[C@H]1CCOC1)C(=O)c1cc(-c2ccc(Cl)s2)on1 C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)c1cc(on1)-c1ccc(Cl)s1
CCN(C[C@H]1CCOC1)C(=O)c1cc(-c2ccc(Cl)s2)on1 C1C[C@@H](CO1)C[*:1] CCN(C(=O)c1cc(on1)-c1ccc(Cl)s1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)c1cc(-c2ccc(Cl)s2)on1 Clc1ccc(s1)[*:1] CCN(C[C@H]1CCOC1)C(=O)c1cc(on1)[*:1]
CC[C@@H](C)Sc1nc(Cl)ncc1C CC[C@@H](C)[*:1] Cc1cnc(Cl)nc1S[*:1]
C[C@@H](NC(=O)COc1ccccc1F)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)COc1ccccc1F)[*:1]
Cc1ccc(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cn1 Cc1ccc(cn1)[*:1] O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)[*:1]
Cc1ccc(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cn1 C1CN(CCO1)[*:1] Cc1ccc(cn1)C(=O)NC[C@H]([C@H]1CCOC1)[*:1]
Cc1ccc(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cn1 C1C[C@@H](CO1)[*:1] Cc1ccc(cn1)C(=O)NC[C@H](N1CCOCC1)[*:1]
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc([N+](=O)[O-])c1)N(c1nccs1)C3=O O=[N+]([O-])[*:1] Cc1cc2oc3C(=O)N(c4nccs4)[C@@H](c4cccc(c4)[*:1])c3c(=O)c2cc1Cl
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc([N+](=O)[O-])c1)N(c1nccs1)C3=O O=[N+]([O-])c1cccc(c1)[*:1] Cc1cc2oc3C(=O)N(c4nccs4)[C@@H](c3c(=O)c2cc1Cl)[*:1]
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc([N+](=O)[O-])c1)N(c1nccs1)C3=O c1csc(n1)[*:1] Cc1cc2oc3C(=O)N([C@@H](c4cccc(c4)[N+](=O)[O-])c3c(=O)c2cc1Cl)[*:1]
O=C(N[C@H]1CCC[C@H]1c1ccc(F)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 Fc1ccc(cc1)[*:1] O=C(N[C@H]1CCC[C@@H]1[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
Cc1cc([N+](=O)[O-])ccc1N1C(=O)CN(C)C1=S O=[N+]([O-])[*:1] Cc1cc(ccc1N1C(=O)CN(C)C1=S)[*:1]
CC(=O)c1cccc(OC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)c1 CC(=O)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Oc1cccc(c1)[*:1]
Cc1ccc(CNC(=O)N2CCC[C@@H](C)CC2)c(OC[C@H]2CCOC2)c1 C1C[C@@H](CO1)[*:1] Cc1ccc(CNC(=O)N2CCC[C@@H](C)CC2)c(c1)OC[*:1]
Cc1ccc(CNC(=O)N2CCC[C@@H](C)CC2)c(OC[C@H]2CCOC2)c1 C1C[C@@H](CO1)C[*:1] Cc1ccc(CNC(=O)N2CCC[C@@H](C)CC2)c(c1)O[*:1]
Cc1ccc(CNC(=O)N2CCC[C@@H](C)CC2)c(OC[C@H]2CCOC2)c1 C1C[C@@H](CO1)CO[*:1] Cc1ccc(CNC(=O)N2CCC[C@@H](C)CC2)c(c1)[*:1]
O=C(CCc1ccccc1)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1cccc(Cl)c1
COc1cc(F)c(NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1F CC(C)O[*:1] COc1cc(F)c(cc1F)NS(=O)(=O)c1ccc(cc1)[*:1]
COc1cc(F)c(NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1F CC(C)[*:1] COc1cc(F)c(cc1F)NS(=O)(=O)c1ccc(cc1)O[*:1]
O=C(NNC(=O)c1ccc(Cl)s1)c1ccncc1 Clc1ccc(s1)[*:1] O=C(NNC(=O)[*:1])c1ccncc1
O=C(NNC(=O)c1ccc(Cl)s1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NNC(=O)[*:1])c1ccc(Cl)s1
O=c1ccc(-c2ccco2)nn1CN1CCSCC1 C1CN(CCS1)[*:1] O=c1ccc(nn1C[*:1])-c1ccco1
O=c1ccc(-c2ccco2)nn1CN1CCSCC1 c1coc(c1)[*:1] O=c1ccc(nn1CN1CCSCC1)[*:1]
Cc1ccc(C(=O)O[C@@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)O[C@@H](c1ccncc1)[*:1]
Cc1ccc(C(=O)O[C@@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] c1cc(ccn1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)O[C@@H](c1ccccc1)[*:1]
Cc1ccc(C(=O)O[C@@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)O[C@@H](c1ccccc1)c1ccncc1
CC(C)(C)C[C@@](C)(O)C(C)(C)C CC(C)(C)[*:1] CC(C)(C)C[C@@](C)(O)[*:1]
CC(C)(C)C[C@@](C)(O)C(C)(C)C CC(C)(C)[*:1] CC(C)(C)[C@](C)(O)C[*:1]
Cc1cc(S(=O)(=O)NCC2CC[NH+](C(C)C)CC2)ccc1F CC(C)[*:1] Cc1cc(ccc1F)S(=O)(=O)NCC1CC[NH+](CC1)[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)ccc1Cl c1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1cnc(nc1)[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)ccc1Cl CCN(CC)S(=O)(=O)[*:1] O=C(Nc1cnc(nc1)-c1ccccc1)c1ccc(Cl)c(c1)[*:1]
O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1cc(on1)[*:1]
O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1cc(-c2ccccc2)on1 c1csc(c1)[*:1] O=C(NCC[C@@H]1CCCCN1S(=O)(=O)[*:1])c1cc(on1)-c1ccccc1
C[C@@H](NC(=O)NC[C@H]1CCC[C@H](O)C1)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NC[C@H]1CCC[C@H](O)C1)c1nc(cs1)[*:1]
O=[N+]([O-])c1ccccc1/C=N\n1c(-c2cccc(Cl)c2)n[nH]c1=S Clc1cccc(c1)[*:1] O=[N+]([O-])c1ccccc1/C=N\n1c(n[nH]c1=S)[*:1]
O=[N+]([O-])c1ccccc1/C=N\n1c(-c2cccc(Cl)c2)n[nH]c1=S O=[N+]([O-])[*:1] S=c1[nH]nc(-c2cccc(Cl)c2)n1/N=C\c1ccccc1[*:1]
C[NH2+][C@H](CCc1ccccc1)[C@@H]1CCCc2cccnc21 c1ccc(cc1)C[*:1] C[NH2+][C@H](C[*:1])[C@@H]1CCCc2cccnc21
C[NH2+][C@H](CCc1ccccc1)[C@@H]1CCCc2cccnc21 c1ccc(cc1)[*:1] C[NH2+][C@H](CC[*:1])[C@@H]1CCCc2cccnc21
CN(Cc1ncnn1C)C(=O)CCCSc1ccccc1 Cn1ncnc1[*:1] CN(C[*:1])C(=O)CCCSc1ccccc1
CN(Cc1ncnn1C)C(=O)CCCSc1ccccc1 c1ccc(cc1)S[*:1] CN(Cc1ncnn1C)C(=O)CCC[*:1]
CN(Cc1ncnn1C)C(=O)CCCSc1ccccc1 Cn1ncnc1C[*:1] CN(C(=O)CCCSc1ccccc1)[*:1]
CN(Cc1ncnn1C)C(=O)CCCSc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ncnn1C)C(=O)CCCS[*:1]
CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C#N)C1 CCC[*:1] N#Cc1ccccc1NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C#N)C1 CCCC[*:1] N#Cc1ccccc1NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C#N)C1 N#Cc1ccccc1[*:1] CCCCS(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCC[C@@H]1C[C@H]1NC(=O)CCCc1ccccn1 c1ccc(nc1)[*:1] CCC[C@@H]1C[C@H]1NC(=O)CCC[*:1]
CCC[C@@H]1C[C@H]1NC(=O)CCCc1ccccn1 CCC[*:1] O=C(CCCc1ccccn1)N[C@@H]1C[C@H]1[*:1]
CCOC(=O)/C(C#N)=C/NNC(=O)c1cc(Cl)ccc1Cl CCOC(=O)[*:1] N#CC(=CNNC(=O)c1cc(Cl)ccc1Cl)[*:1]
C[NH+]1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(cc1)CS[*:1]
C[NH+]1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 c1ccc(cc1)S[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(cc1)C[*:1]
C[C@H](CCCCl)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ClCCC[*:1] C[C@H]([NH2+]C[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
C[C@H](CCCCl)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ClCC[*:1] C[C@H](C[*:1])[NH2+]C[C@@H]1CCCN(C1)S(C)(=O)=O
CCc1nc2c(s1)[C@@H](N[C@H]1CC(=O)N(CC(F)(F)F)C1)CCC2 FC(F)(F)C[*:1] CCc1nc2CCC[C@H](N[C@H]3CC(=O)N(C3)[*:1])c2s1
CCc1nc2c(s1)[C@@H](N[C@H]1CC(=O)N(CC(F)(F)F)C1)CCC2 FC(F)(F)[*:1] CCc1nc2CCC[C@H](N[C@H]3CC(=O)N(C3)C[*:1])c2s1
CC[C@](C)(NC(=O)NC[C@H]1COCCO1)C(=O)[O-] C1CO[C@H](CO1)[*:1] CC[C@](C)(NC(=O)NC[*:1])C(=O)[O-]
CC[C@](C)(NC(=O)NC[C@H]1COCCO1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)NC[C@H]1COCCO1)[*:1]
COc1ccc(NC(=O)NCc2cccc(OCC(F)F)n2)cc1C FC(F)C[*:1] COc1ccc(cc1C)NC(=O)NCc1cccc(n1)O[*:1]
COc1ccc(NC(=O)NCc2cccc(OCC(F)F)n2)cc1C FC(F)CO[*:1] COc1ccc(cc1C)NC(=O)NCc1cccc(n1)[*:1]
COc1ccc(NC(=O)NCc2cccc(OCC(F)F)n2)cc1C FC(F)[*:1] COc1ccc(cc1C)NC(=O)NCc1cccc(n1)OC[*:1]
NC(=O)c1ccc(Oc2cc(Cl)c(Cl)cc2N)cc1 NC(=O)[*:1] Nc1cc(Cl)c(Cl)cc1Oc1ccc(cc1)[*:1]
CC(C)c1cc(N(C)CCN2CCOCC2)nc(C(C)C)[nH+]1 C1CN(CCO1)[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N(C)CC[*:1]
CC(C)c1cc(N(C)CCN2CCOCC2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1cc(nc([nH+]1)[*:1])N(C)CCN1CCOCC1
CC(C)c1cc(N(C)CCN2CCOCC2)nc(C(C)C)[nH+]1 C1CN(CCO1)C[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N(C)C[*:1]
CC(C)c1cc(N(C)CCN2CCOCC2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1nc(cc([nH+]1)[*:1])N(C)CCN1CCOCC1
CCCn1c(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)nc2ccccc21 Cc1occc1[*:1] CCCn1c(C[NH+]2CCC(CC2)NC(=O)[*:1])nc2ccccc21
CCCn1c(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)nc2ccccc21 Cc1occc1C(=O)N[*:1] CCCn1c(C[NH+]2CCC(CC2)[*:1])nc2ccccc21
CCCn1c(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)nc2ccccc21 CCC[*:1] Cc1occc1C(=O)NC1CC[NH+](CC1)Cc1nc2ccccc2n1[*:1]
COc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CN1CCN(CC1)C(=O)[C@@H]1C[C@@H]1C
COc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CN1CCN(CC1)C(=O)[C@@H]1C[C@@H]1C
CN(C[C@@H]1C=c2cc(F)ccc2=[NH+]1)C(=O)CCC1=NN[C@@H](C2CCCCC2)O1 C1CCC(CC1)[*:1] CN(C[C@@H]1C=c2cc(F)ccc2=[NH+]1)C(=O)CCC1=NN[C@@H](O1)[*:1]
Cc1occc1-c1nnc(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)n1C Cc1occc1[*:1] C[C@H](Sc1nnc(n1C)[*:1])c1nc2scc(-c3cccs3)c2c(=O)[nH]1
Cc1occc1-c1nnc(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)n1C c1csc(c1)[*:1] Cc1occc1-c1nnc(S[C@@H](C)c2nc3scc(c3c(=O)[nH]2)[*:1])n1C
C=CCSc1nc2ncc3c(n2n1)C[C@@H](c1ccc(F)cc1)CC3=O C=CC[*:1] O=C1C[C@@H](Cc2c1cnc1nc(nn21)S[*:1])c1ccc(F)cc1
C=CCSc1nc2ncc3c(n2n1)C[C@@H](c1ccc(F)cc1)CC3=O Fc1ccc(cc1)[*:1] C=CCSc1nc2ncc3C(=O)C[C@H](Cc3n2n1)[*:1]
C=CCSc1nc2ncc3c(n2n1)C[C@@H](c1ccc(F)cc1)CC3=O C=CCS[*:1] O=C1C[C@@H](Cc2c1cnc1nc(nn21)[*:1])c1ccc(F)cc1
CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2C[C@@H]2C)cc1 CC(=O)N[*:1] C[C@H]1C[C@H]1NC(=O)[C@@H](C)Sc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2C[C@@H]2C)cc1 C[C@H]1C[C@H]1[*:1] CC(=O)Nc1ccc(cc1)S[C@H](C)C(=O)N[*:1]
CN1C(=O)C[C@@H](C(=O)Nc2ccccc2Cl)S/C1=N/c1ccc(Cl)c(Cl)c1 Clc1ccccc1[*:1] CN1C(=O)C[C@H](S/C1=N/c1ccc(Cl)c(Cl)c1)C(=O)N[*:1]
CN1C(=O)C[C@@H](C(=O)Nc2ccccc2Cl)S/C1=N/c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1ccccc1Cl
CCc1nc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)cs1 c1ccc(cc1)[*:1] CCc1nc(cs1)CN1C[C@@H](C)O[C@H](C1)[*:1]
CCc1nc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)cs1 CCc1nc(cs1)[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C[*:1]
CON(C)C(=O)c1ccccc1OCc1c(C)noc1C CON(C)C(=O)[*:1] Cc1noc(C)c1COc1ccccc1[*:1]
CON(C)C(=O)c1ccccc1OCc1c(C)noc1C Cc1noc(C)c1[*:1] CON(C)C(=O)c1ccccc1OC[*:1]
CCCC[C@H]([NH3+])C(=O)Nc1snc(C)c1C(=O)[O-] CCC[*:1] Cc1nsc(NC(=O)[C@@H]([NH3+])C[*:1])c1C(=O)[O-]
CCCC[C@H]([NH3+])C(=O)Nc1snc(C)c1C(=O)[O-] CCCC[*:1] Cc1nsc(NC(=O)[C@@H]([NH3+])[*:1])c1C(=O)[O-]
CCCC[C@H]([NH3+])C(=O)Nc1snc(C)c1C(=O)[O-] O=C([O-])[*:1] CCCC[C@H]([NH3+])C(=O)Nc1snc(C)c1[*:1]
CCOc1ccccc1NC(=O)NCC1CC[NH+](C)CC1 CCO[*:1] C[NH+]1CCC(CC1)CNC(=O)Nc1ccccc1[*:1]
C=CCN(CC(=O)N1C[C@@H](C)C[C@@H](C)C1)S(=O)(=O)C(C)(C)C CC(C)(C)[*:1] C=CCN(CC(=O)N1C[C@@H](C)C[C@@H](C)C1)S(=O)(=O)[*:1]
C=CCN(CC(=O)N1C[C@@H](C)C[C@@H](C)C1)S(=O)(=O)C(C)(C)C C=CC[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN(S(=O)(=O)C(C)(C)C)[*:1]
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)c1ccc(OC)nc1 CC[C@@H](C)[*:1] COc1ccc(cn1)N(C)C(=O)[C@H]1Cc2ccccc2CN1C(=O)[*:1]
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)c1ccc(OC)nc1 COc1ccc(cn1)[*:1] CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)[*:1]
C[C@@](NC(=O)/C=C/c1ccc(Cl)s1)(C(=O)[O-])C(F)(F)F Clc1ccc(s1)[*:1] C[C@@](NC(=O)C=C[*:1])(C(=O)[O-])C(F)(F)F
C[C@@](NC(=O)/C=C/c1ccc(Cl)s1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@](NC(=O)/C=C/c1ccc(Cl)s1)(C(F)(F)F)[*:1]
C[C@@](NC(=O)/C=C/c1ccc(Cl)s1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@](NC(=O)/C=C/c1ccc(Cl)s1)(C(=O)[O-])[*:1]
NC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(F)c2)cc1 O=[N+]([O-])[*:1] NC(=O)c1ccc(cc1)NCc1ccc(c(F)c1)[*:1]
NC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(F)c2)cc1 NC(=O)[*:1] O=[N+]([O-])c1ccc(cc1F)CNc1ccc(cc1)[*:1]
CC(C)C(=O)N1CCC[C@H]1COc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] CC(C)C(=O)N1CCC[C@H]1COc1ccc(cc1)[*:1]
CC(C)C(=O)N1CCC[C@H]1COc1ccc(C(=O)N2CCCC2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)OC[C@@H]1CCCN1C(=O)[*:1])N1CCCC1
COc1ccc(C(=O)n2c([O-])c3cc(Cl)cc(Cl)c3nc2=S)cc1 COc1ccc(cc1)[*:1] O=C(n1c([O-])c2cc(Cl)cc(Cl)c2nc1=S)[*:1]
Cc1ccc2c(c1)cc(CN(C[C@H]1CCCO1)C(=O)N(C)C)c1nnnn12 C1CO[C@H](C1)C[*:1] Cc1ccc2c(c1)cc(CN(C(=O)N(C)C)[*:1])c1nnnn12
CC(=O)Nc1cc(NC(=O)c2ccc[nH]2)ccc1F CC(=O)N[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1ccc[nH]1
CC(=O)Nc1cc(NC(=O)c2ccc[nH]2)ccc1F c1c[nH]c(c1)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)[*:1]
CS[C@H]1CC[C@@H](NC(=O)N[C@H](C)CO)C1 C[C@H](CO)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)N[*:1]
O=C(CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12)Nc1nccs1 Fc1ccccc1[*:1] O=C(CSc1nnc2n(C[*:1])c3ccccc3n12)Nc1nccs1
O=C(CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12)Nc1nccs1 Fc1ccccc1C[*:1] O=C(CSc1nnc2n(c3ccccc3n12)[*:1])Nc1nccs1
O=C(CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12)Nc1nccs1 c1csc(n1)[*:1] O=C(CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12)N[*:1]
O=C(CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12)Nc1nccs1 O=C(C[*:1])Nc1nccs1 Fc1ccccc1Cn1c2ccccc2n2c(nnc12)S[*:1]
O=C(CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12)Nc1nccs1 O=C(Nc1nccs1)[*:1] Fc1ccccc1Cn1c2ccccc2n2c(nnc12)SC[*:1]
O=C(CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12)Nc1nccs1 O=C(CS[*:1])Nc1nccs1 Fc1ccccc1Cn1c2ccccc2n2c(nnc12)[*:1]
CCC[C@@H]1CN(C(=O)c2ccc(CC)o2)CCO1 CCC[*:1] CCc1ccc(o1)C(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(Cc2nccs2)[C@H](CC(C)C)C[NH2+]1 CC(C)[*:1] CCC[C@@H]1CN(Cc2nccs2)[C@@H](C[NH2+]1)C[*:1]
CCC[C@@H]1CN(Cc2nccs2)[C@H](CC(C)C)C[NH2+]1 c1csc(C[*:1])n1 CCC[C@@H]1CN([C@@H](C[NH2+]1)CC(C)C)[*:1]
CCC[C@@H]1CN(Cc2nccs2)[C@H](CC(C)C)C[NH2+]1 CC(C)C[*:1] CCC[C@@H]1CN(Cc2nccs2)[C@H](C[NH2+]1)[*:1]
CCC[C@@H]1CN(Cc2nccs2)[C@H](CC(C)C)C[NH2+]1 CCC[*:1] CC(C)C[C@@H]1C[NH2+][C@@H](CN1Cc1nccs1)[*:1]
CCC[C@@H]1CN(Cc2nccs2)[C@H](CC(C)C)C[NH2+]1 c1csc(n1)[*:1] CCC[C@@H]1CN(C[*:1])[C@@H](C[NH2+]1)CC(C)C
O=[N+]([O-])c1cc2c(Cl)nccn2c1 O=[N+]([O-])[*:1] Clc1nccn2cc(cc12)[*:1]
CNS(=O)(=O)c1cccc(C(=O)OCC(C)C)c1 CC(C)[*:1] CNS(=O)(=O)c1cccc(c1)C(=O)OC[*:1]
CNS(=O)(=O)c1cccc(C(=O)OCC(C)C)c1 CNS(=O)(=O)[*:1] CC(C)COC(=O)c1cccc(c1)[*:1]
CNS(=O)(=O)c1cccc(C(=O)OCC(C)C)c1 CC(C)C[*:1] CNS(=O)(=O)c1cccc(c1)C(=O)O[*:1]
Cc1cccc(OCCN2C(=O)[C@@H](C)CNc3ccccc32)c1 Cc1cccc(c1)[*:1] C[C@H]1CNc2ccccc2N(CCO[*:1])C1=O
CO[C@H](C)c1nc(CN(C)C(=O)N[C@H]2CCCc3ccccc32)cs1 CO[C@H](C)[*:1] CN(Cc1csc(n1)[*:1])C(=O)N[C@H]1CCCc2ccccc21
N#CCS[C@H]1N=NC(=O)[C@H]2C=C(c3ccc(F)cc3)NN12 N#CC[*:1] O=C1N=N[C@H](S[*:1])N2NC(=C[C@H]12)c1ccc(F)cc1
N#CCS[C@H]1N=NC(=O)[C@H]2C=C(c3ccc(F)cc3)NN12 Fc1ccc(cc1)[*:1] N#CCS[C@H]1N=NC(=O)[C@H]2C=C(NN12)[*:1]
N#CCS[C@H]1N=NC(=O)[C@H]2C=C(c3ccc(F)cc3)NN12 N#CCS[*:1] O=C1N=N[C@@H](N2NC(=C[C@H]12)c1ccc(F)cc1)[*:1]
CCn1nc(C(=O)NCCOc2ccccc2)cc1-c1ccc(Cl)s1 c1ccc(cc1)O[*:1] CCn1nc(cc1-c1ccc(Cl)s1)C(=O)NCC[*:1]
CCn1nc(C(=O)NCCOc2ccccc2)cc1-c1ccc(Cl)s1 c1ccc(cc1)[*:1] CCn1nc(cc1-c1ccc(Cl)s1)C(=O)NCCO[*:1]
CCn1nc(C(=O)NCCOc2ccccc2)cc1-c1ccc(Cl)s1 c1ccc(cc1)OC[*:1] CCn1nc(cc1-c1ccc(Cl)s1)C(=O)NC[*:1]
CCn1nc(C(=O)NCCOc2ccccc2)cc1-c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CCn1nc(cc1[*:1])C(=O)NCCOc1ccccc1
C[C@H]1C[C@@H]1c1nc(-c2ccccc2)c(CC(=O)[O-])s1 O=C([O-])[*:1] C[C@H]1C[C@@H]1c1nc(-c2ccccc2)c(C[*:1])s1
C[C@H]1C[C@@H]1c1nc(-c2ccccc2)c(CC(=O)[O-])s1 O=C([O-])C[*:1] C[C@H]1C[C@@H]1c1nc(-c2ccccc2)c(s1)[*:1]
C[C@H]1C[C@@H]1c1nc(-c2ccccc2)c(CC(=O)[O-])s1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1c1nc(c(CC(=O)[O-])s1)[*:1]
COc1ccc([C@@H](CNC(=O)Nc2c(C)cccc2C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)Nc1c(C)cccc1C)[*:1]
COc1ccc([C@@H](CNC(=O)Nc2c(C)cccc2C)N2CCOCC2)cc1 Cc1cccc(C)c1[*:1] COc1ccc(cc1)[C@@H](CNC(=O)N[*:1])N1CCOCC1
COc1ccc([C@@H](CNC(=O)Nc2c(C)cccc2C)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)NC[C@@H](N1CCOCC1)[*:1]
O=C(OCc1cc(-c2cccs2)on1)C1=CC=CN2CCS(=O)(=O)N=C12 c1csc(c1)[*:1] O=C(OCc1cc(on1)[*:1])C1=CC=CN2CCS(=O)(=O)N=C12
CCc1c(C(=O)N(CC)Cc2ccccn2)cnn1-c1ccc(C)cc1 c1ccc(C[*:1])nc1 CCc1c(cnn1-c1ccc(C)cc1)C(=O)N(CC)[*:1]
CCc1c(C(=O)N(CC)Cc2ccccn2)cnn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)N(CC)Cc1ccccn1
CCc1c(C(=O)N(CC)Cc2ccccn2)cnn1-c1ccc(C)cc1 c1ccc(nc1)[*:1] CCc1c(cnn1-c1ccc(C)cc1)C(=O)N(CC)C[*:1]
C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccccc1[*:1]
COCc1cc(=O)[nH]c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)ccc12 COC[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccc2c(cc(=O)[nH]c2c1)[*:1]
COCc1cc(=O)[nH]c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)ccc12 Cc1ccc(cc1)[*:1] COCc1cc(=O)[nH]c2cc(ccc12)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cnc2c(c1)nc(CCl)n2[C@@H](C)C1CCCCC1 C1CCC(CC1)[*:1] Cc1cnc2c(c1)nc(CCl)n2[C@@H](C)[*:1]
Cc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C(=O)N21)[*:1]
Cc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 Cc1ccc(cc1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](N2C(=O)N1Cc1ccccc1)[*:1]
Cc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C[*:1])C(=O)N21
C[C@@H](Cc1cccs1)N(C)C(=O)N[C@@H](C)C(C)(C)C CC(C)(C)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)N[C@@H](C)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)N[C@@H](C)C(C)(C)C C[C@@H](C(C)(C)C)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)N[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)N[C@@H](C)C(C)(C)C c1csc(c1)C[*:1] C[C@H](NC(=O)N(C)[C@H](C)[*:1])C(C)(C)C
C[C@@H](Cc1cccs1)N(C)C(=O)N[C@@H](C)C(C)(C)C c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)N[C@@H](C)C(C)(C)C
CC(=O)c1ccc(NC(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N(C)Cc1ccc2OCCOc2c1
O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCc2ccc(cc2C1)[*:1]
O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 Fc1ccc(cc1)[*:1] O=C(c1c[nH]cc1[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCCSCC1 CC[C@@H](C)[*:1] O=C(N[C@@H](C(=O)N1CCCSCC1)[*:1])c1ccccc1
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCCSCC1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](NC(=O)[*:1])C(=O)N1CCCSCC1
Cc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)N1CCc2ccccc21 Cc1noc(C)c1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCc2ccccc21)-c1ccc(=O)n(n1)[*:1]
Cc1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)Cc1ccc(cc1NC(=O)NC[*:1])C(N)=O
Cc1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1 Cc1ccc(cc1)C[*:1] C[NH+](C)Cc1ccc(cc1NC(=O)N[*:1])C(N)=O
Cc1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1 NC(=O)[*:1] Cc1ccc(cc1)CNC(=O)Nc1cc(ccc1C[NH+](C)C)[*:1]
C[C@H](C(=O)Nc1nn(C)cc1C(N)=O)c1c(F)cccc1F NC(=O)[*:1] C[C@H](C(=O)Nc1nn(C)cc1[*:1])c1c(F)cccc1F
NC(=O)[C@@H]1CN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)CCO1 FC(F)(F)[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)NCC1(CCCC1)c1cccc(c1)[*:1]
NC(=O)[C@@H]1CN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)CCO1 NC(=O)[*:1] O=C(NCC1(CCCC1)c1cccc(c1)C(F)(F)F)N1CCO[C@@H](C1)[*:1]
CC(C)CN1C[C@H](C(=O)NC2(C(N)=O)CCCC2)CC1=O CC(C)C[*:1] NC(=O)C1(CCCC1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)CN1C[C@H](C(=O)NC2(C(N)=O)CCCC2)CC1=O CC(C)[*:1] NC(=O)C1(CCCC1)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CC(C)CN1C[C@H](C(=O)NC2(C(N)=O)CCCC2)CC1=O NC(=O)[*:1] CC(C)CN1C[C@@H](CC1=O)C(=O)NC1(CCCC1)[*:1]
[NH3+][C@@]1(CO)CCC[C@H]1CCn1cc(C(F)(F)F)cn1 FC(F)(F)[*:1] [NH3+][C@@]1(CO)CCC[C@H]1CCn1cc(cn1)[*:1]
CC(C)C[C@@H](NC(=O)Cn1cc(Br)cn1)c1ccccc1 CC(C)[*:1] O=C(Cn1cc(Br)cn1)N[C@H](C[*:1])c1ccccc1
CC(C)C[C@@H](NC(=O)Cn1cc(Br)cn1)c1ccccc1 CC(C)C[*:1] O=C(Cn1cc(Br)cn1)N[C@@H](c1ccccc1)[*:1]
CC(C)C[C@@H](NC(=O)Cn1cc(Br)cn1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@@H](NC(=O)Cn1cc(Br)cn1)[*:1]
CC(C)C[C@@H](NC(=O)Cn1cc(Br)cn1)c1ccccc1 Brc1cnn(c1)[*:1] CC(C)C[C@@H](NC(=O)C[*:1])c1ccccc1
CC(C)C[C@@H](NC(=O)Cn1cc(Br)cn1)c1ccccc1 Brc1cnn(c1)C[*:1] CC(C)C[C@@H](NC(=O)[*:1])c1ccccc1
CCCCOC(=O)[C@H](C)NC(=O)c1n[nH]c(=O)[nH]1 O=c1[nH]nc([nH]1)[*:1] CCCCOC(=O)[C@H](C)NC(=O)[*:1]
CCCCOC(=O)[C@H](C)NC(=O)c1n[nH]c(=O)[nH]1 CCCC[*:1] C[C@H](NC(=O)c1n[nH]c(=O)[nH]1)C(=O)O[*:1]
CCCCOC(=O)[C@H](C)NC(=O)c1n[nH]c(=O)[nH]1 CCC[*:1] C[C@H](NC(=O)c1n[nH]c(=O)[nH]1)C(=O)OC[*:1]
O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cccnc1Cl c1ccc(cc1)[*:1] O=C(Nc1ccccc1-c1nc(C[*:1])no1)c1cccnc1Cl
O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cccnc1Cl Clc1ncccc1[*:1] O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)[*:1]
O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cccnc1Cl c1ccc(cc1)C[*:1] O=C(Nc1ccccc1-c1nc(no1)[*:1])c1cccnc1Cl
CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 CC(=O)C[*:1] O=S1(=O)C[C@H]2N=C(S[*:1])N(c3ccc4OCCOc4c3)[C@H]2C1
CC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 CC(=O)[*:1] O=S1(=O)C[C@H]2N=C(SC[*:1])N(c3ccc4OCCOc4c3)[C@H]2C1
C[C@@H]([NH2+]C(C)(C)CO)C1(C)CC1 CC1(CC1)[*:1] C[C@@H]([NH2+]C(C)(C)CO)[*:1]
C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NC(=O)N1CC[C@H](C1)[NH+]1CCCC1)c1ccc(cc1)[*:1]
COc1ccc(/C(C)=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)/C(C)=N\NC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(/C(C)=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 O=C(N[*:1])c1ccccc1 COc1ccc(cc1)/C(C)=N\NC(=O)c1ccc(cc1)[*:1]
COc1ccc(/C(C)=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 COc1ccc(cc1)[*:1] CC(=NNC(=O)c1ccc(cc1)NC(=O)c1ccccc1)[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])C(=O)Nc1cc2CCCN3C(=O)Cc(c1)c23
NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(NCC[*:1])C(=O)Nc1cc2CCCN3C(=O)Cc(c1)c23
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)N[C@@H](C)C(C)C)C2)c1 CCOC(=O)[*:1] CC(C)[C@H](C)NC(=O)N1CCC[C@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)N[C@@H](C)C(C)C)C2)c1 CC(C)[C@H](C)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)N[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)N[C@@H](C)C(C)C)C2)c1 CC(C)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
CCc1nc(Cl)c(C)c(NCc2cccc(S(N)(=O)=O)c2)n1 NS(=O)(=O)[*:1] CCc1nc(Cl)c(C)c(n1)NCc1cccc(c1)[*:1]
Cc1ccc(F)cc1C(=O)NCc1cccc(COC(C)C)c1 CC(C)OC[*:1] Cc1ccc(F)cc1C(=O)NCc1cccc(c1)[*:1]
Cc1ccc(F)cc1C(=O)NCc1cccc(COC(C)C)c1 CC(C)[*:1] Cc1ccc(F)cc1C(=O)NCc1cccc(c1)CO[*:1]
Cc1ccc(F)cc1C(=O)NCc1cccc(COC(C)C)c1 CC(C)O[*:1] Cc1ccc(F)cc1C(=O)NCc1cccc(c1)C[*:1]
C[C@H](NC(=O)Nc1ccc(OCc2cccnc2)cc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)OCc1cccnc1)[*:1]
C[C@H](NC(=O)Nc1ccc(OCc2cccnc2)cc1)c1ccc(F)c(F)c1 c1cncc(c1)C[*:1] C[C@H](NC(=O)Nc1ccc(cc1)O[*:1])c1ccc(F)c(F)c1
C[C@H](NC(=O)Nc1ccc(OCc2cccnc2)cc1)c1ccc(F)c(F)c1 c1cncc(c1)CO[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccc(F)c(F)c1
C[C@H](NC(=O)Nc1ccc(OCc2cccnc2)cc1)c1ccc(F)c(F)c1 c1cncc(c1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)OC[*:1])c1ccc(F)c(F)c1
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C=C12 c1coc(c1)C[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H]4CCCC[C@H]4[*:1])[C@H]3C=C12
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C=C12 c1coc(c1)[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H]4CCCC[C@@H]4C[*:1])[C@H]3C=C12
COc1ccc([C@H](O)[C@H](C)NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H](O)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccn2)c2ccncc2)cc1 c1cc(ccn1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N(Cc1ccccn1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccn2)c2ccncc2)cc1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1)[*:1])N(Cc1ccccn1)c1ccncc1
O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccn2)c2ccncc2)cc1 c1ccc(C[*:1])nc1 O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N(c1ccncc1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccn2)c2ccncc2)cc1 c1ccc(nc1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccncc1
Cc1ccccc1/C=C/c1nc(S[C@H](C)C(=O)Nc2ccccc2F)n[nH]1 Cc1ccccc1[*:1] C[C@@H](Sc1n[nH]c(C=C[*:1])n1)C(=O)Nc1ccccc1F
Cc1ccccc1/C=C/c1nc(S[C@H](C)C(=O)Nc2ccccc2F)n[nH]1 Fc1ccccc1[*:1] Cc1ccccc1/C=C/c1nc(n[nH]1)S[C@H](C)C(=O)N[*:1]
Cc1ccccc1/C=C/c1nc(S[C@H](C)C(=O)Nc2ccccc2F)n[nH]1 Cc1ccccc1C=C[*:1] C[C@@H](Sc1n[nH]c(n1)[*:1])C(=O)Nc1ccccc1F
COc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1sc(NC(=O)c2c(C)oc3ccc(OC)cc23)nc1C COC(=O)[*:1] COc1ccc2oc(C)c(C(=O)Nc3nc(C)c(s3)[*:1])c2c1
CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1C=C[C@@H](C1)[*:1]
C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)[C@H](C)Cc1cccs1 Fc1ccc(cc1)[*:1] C[C@@H]([NH3+])[C@H](N(C)[C@H](C)Cc1cccs1)[*:1]
C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)[C@H](C)C[*:1]
C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)[C@H](C)[*:1]
Cc1ccc(NC(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(COC(=O)C1CCC(=O)N(N=1)[C@@H]1CCS(=O)(=O)C1)N[*:1]
CC[C@@](C)(C[NH3+])[C@H](O)c1c[nH+]cn1C1CC1 C1CC1[*:1] CC[C@@](C)(C[NH3+])[C@H](O)c1c[nH+]cn1[*:1]
COc1cc(Cl)c(NC(=O)c2cnc(C3CC3)s2)cc1OC C1CC1[*:1] COc1cc(Cl)c(cc1OC)NC(=O)c1cnc(s1)[*:1]
C[NH+](C)Cc1nc(=O)c(-c2ccccc2)c([O-])[nH]1 c1ccc(cc1)[*:1] C[NH+](C)Cc1nc(=O)c(c([O-])[nH]1)[*:1]
Cc1cc(=O)oc2cc(OCC(=O)N3CCN(CC(=O)N4CCCC4)CC3)ccc12 O=C(N1CCCC1)[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)N1CCN(CC1)C[*:1]
Cc1cc(=O)oc2cc(OCC(=O)N3CCN(CC(=O)N4CCCC4)CC3)ccc12 O=C(C[*:1])N1CCCC1 Cc1cc(=O)oc2cc(ccc12)OCC(=O)N1CCN(CC1)[*:1]
CC[C@H](C)CN(CC)C(=O)CC[C@H]1CCCC[NH2+]1 CC[C@H](C)C[*:1] CCN(C(=O)CC[C@H]1CCCC[NH2+]1)[*:1]
CC[C@H](C)CN(CC)C(=O)CC[C@H]1CCCC[NH2+]1 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)CC[C@H]1CCCC[NH2+]1
COC(=O)c1nn(-c2cccc(C)c2C)c(Br)c1C(=O)OC COC(=O)[*:1] COC(=O)c1c(nn(-c2cccc(C)c2C)c1Br)[*:1]
COC(=O)c1nn(-c2cccc(C)c2C)c(Br)c1C(=O)OC COC(=O)[*:1] COC(=O)c1nn(-c2cccc(C)c2C)c(Br)c1[*:1]
C[C@@H](Oc1ccccc1)C(=O)N1CCc2ccccc2C1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)N1CCc2ccccc2C1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N1CCc2ccccc2C1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N1CCc2ccccc2C1
CCC[C@H]1NC(=O)N(Cc2c(F)cccc2Br)C1=O CCC[*:1] O=C1N[C@@H](C(=O)N1Cc1c(F)cccc1Br)[*:1]
CC1CCN(C(=O)c2ccc(NC[C@H](C)Oc3ccccc3)nc2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1ccc(nc1)NC[C@H](C)O[*:1]
CC1CCN(C(=O)c2ccc(NC[C@H](C)Oc3ccccc3)nc2)CC1 c1ccc(cc1)O[*:1] CC1CCN(CC1)C(=O)c1ccc(nc1)NC[C@H](C)[*:1]
COc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3ccc(F)cn3)s2)cc1 Fc1ccc(nc1)[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)[C@@H](C#N)[*:1]
COc1ccc(-c2ncc(C(=O)[C@@H](C#N)c3ccc(F)cn3)s2)cc1 COc1ccc(cc1)[*:1] N#C[C@H](C(=O)c1cnc(s1)[*:1])c1ccc(F)cn1
CC(C)CCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 CC(C)C[*:1] C[C@@H](C(=O)NC[*:1])N1CCN(CC1)[C@@H](C)C(=O)N1CCCC1
CC(C)CCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 CC(C)CC[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)[C@@H](C)C(=O)N1CCCC1
CC(C)CCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 CC(C)CCNC(=O)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)[C@@H](C)[*:1]
CC(C)CCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CC(C)CCNC(=O)[C@H](C)N1CCN(CC1)[C@@H](C)[*:1]
CC(C)CCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 CC(C)[*:1] C[C@@H](C(=O)NCC[*:1])N1CCN(CC1)[C@@H](C)C(=O)N1CCCC1
Cc1cnc(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)s1 Cc1cnc(s1)[*:1] O=C(N[C@@H]1CCN(C1=O)c1c(F)cccc1F)N[*:1]
Cc1cnc(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)s1 Fc1cccc(F)c1[*:1] Cc1cnc(NC(=O)N[C@@H]2CCN(C2=O)[*:1])s1
COC(=O)c1ccccc1N(C)C(=O)CN1CCO[C@@H](C)C1 COC(=O)[*:1] C[C@H]1CN(CCO1)CC(=O)N(C)c1ccccc1[*:1]
COC(=O)c1ccccc1N(C)C(=O)CN1CCO[C@@H](C)C1 C[C@H]1CN(CCO1)[*:1] COC(=O)c1ccccc1N(C)C(=O)C[*:1]
Cn1cc(NC(=O)c2cccc3c2oc(=O)n3C)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(NC(=O)c2cccc3c2oc(=O)n3C)c(n1)[*:1]
O=C1C[C@@H]2C[C@H]1[C@H](C(=O)[O-])C2 O=C([O-])[*:1] O=C1C[C@@H]2C[C@H]1[C@H](C2)[*:1]
Cc1cnc([C@@H](NC(=O)C2=NN(C)C(=O)CC2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)C1CCC(=O)N(C)N=1)[*:1]
Cc1cnc([C@@H](NC(=O)C2=NN(C)C(=O)CC2)C2CC2)s1 Cc1cnc(s1)[*:1] CN1N=C(CCC1=O)C(=O)N[C@@H](C1CC1)[*:1]
Cc1ccc([C@@H](C)NC(=O)NCCOCC2CC2)cc1F C(C[*:1])OCC1CC1 Cc1ccc(cc1F)[C@@H](C)NC(=O)N[*:1]
Cc1ccc([C@@H](C)NC(=O)NCCOCC2CC2)cc1F C1CC1COC[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)NC[*:1]
Cc1ccc([C@@H](C)NC(=O)NCCOCC2CC2)cc1F C1CC1C[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)NCCO[*:1]
Cc1ccc([C@@H](C)NC(=O)NCCOCC2CC2)cc1F C1CC1[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)NCCOC[*:1]
Cc1ccc([C@@H](C)NC(=O)NCCOCC2CC2)cc1F C1CC1CO[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)NCC[*:1]
CN(Cc1ccco1)Cc1nc2cc(N)ccc2o1 c1coc(c1)C[*:1] CN(Cc1nc2cc(N)ccc2o1)[*:1]
CN(Cc1ccco1)Cc1nc2cc(N)ccc2o1 c1coc(c1)[*:1] CN(Cc1nc2cc(N)ccc2o1)C[*:1]
COCCOc1ccc(S(=O)(=O)N2C[C@@H](C)c3ccccc32)cc1C COC[*:1] Cc1cc(ccc1OC[*:1])S(=O)(=O)N1C[C@@H](C)c2ccccc21
COCCOc1ccc(S(=O)(=O)N2C[C@@H](C)c3ccccc32)cc1C COCCO[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)N1C[C@@H](C)c2ccccc21
COCCOc1ccc(S(=O)(=O)N2C[C@@H](C)c3ccccc32)cc1C COCC[*:1] Cc1cc(ccc1O[*:1])S(=O)(=O)N1C[C@@H](C)c2ccccc21
C[C@@H](OC[C@@H]1CCCCO1)c1ccc(C(=O)[O-])o1 C1CC[C@H](OC1)[*:1] C[C@@H](OC[*:1])c1ccc(o1)C(=O)[O-]
C[C@@H](OC[C@@H]1CCCCO1)c1ccc(C(=O)[O-])o1 O=C([O-])[*:1] C[C@@H](OC[C@@H]1CCCCO1)c1ccc(o1)[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NC1COC1 NC(=O)N[*:1] CC[C@@H](C)[C@H](C(=O)NC1COC1)[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NC1COC1 C1OCC1[*:1] CC[C@@H](C)[C@H](NC(N)=O)C(=O)N[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NC1COC1 CC[C@@H](C)[*:1] NC(=O)N[C@H](C(=O)NC1COC1)[*:1]
CCc1ccc([C@@H](NC(=O)NCCN2CCOCC2)C(C)C)cc1 C1CN(CCO1)CC[*:1] CCc1ccc(cc1)[C@@H](NC(=O)N[*:1])C(C)C
CCc1ccc([C@@H](NC(=O)NCCN2CCOCC2)C(C)C)cc1 C1CN(CCO1)[*:1] CCc1ccc(cc1)[C@@H](NC(=O)NCC[*:1])C(C)C
CCc1ccc([C@@H](NC(=O)NCCN2CCOCC2)C(C)C)cc1 C1CN(CCO1)C[*:1] CCc1ccc(cc1)[C@@H](NC(=O)NC[*:1])C(C)C
CCc1ccc([C@@H](NC(=O)NCCN2CCOCC2)C(C)C)cc1 CCc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)NCCN1CCOCC1)[*:1]
CCc1ccc([C@@H](NC(=O)NCCN2CCOCC2)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@@H](NC(=O)NCCN1CCOCC1)[*:1]
c1cc(C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)n[nH]1 c1cc(n[nH]1)[*:1] c1nc(sc1C[NH+]1CCC(CC1)[*:1])C1CC1
c1cc(C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)n[nH]1 C1CC1[*:1] c1cc(n[nH]1)C1CC[NH+](CC1)Cc1cnc(s1)[*:1]
CC[C@H](Sc1nncn1C(C)(C)C)C(=O)NCc1ccccc1 CC(C)(C)[*:1] CC[C@H](Sc1nncn1[*:1])C(=O)NCc1ccccc1
CC[C@H](Sc1nncn1C(C)(C)C)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CC[C@H](Sc1nncn1C(C)(C)C)C(=O)N[*:1]
CC[C@H](Sc1nncn1C(C)(C)C)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](Sc1nncn1C(C)(C)C)C(=O)NC[*:1]
Cc1nccn1-c1ccc(NC(=O)C(=O)NCc2cccc(F)c2)cn1 Fc1cccc(c1)[*:1] Cc1nccn1-c1ccc(cn1)NC(=O)C(=O)NC[*:1]
Cc1nccn1-c1ccc(NC(=O)C(=O)NCc2cccc(F)c2)cn1 Fc1cccc(c1)C[*:1] Cc1nccn1-c1ccc(cn1)NC(=O)C(=O)N[*:1]
Cc1nccn1-c1ccc(NC(=O)C(=O)NCc2cccc(F)c2)cn1 Cc1nccn1[*:1] O=C(NCc1cccc(F)c1)C(=O)Nc1ccc(nc1)[*:1]
CC[C@H]1CO[C@@H](C)CN1c1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] CC[C@H]1CO[C@@H](C)CN1c1cccc(F)c1[*:1]
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1Cn1cc([N+](=O)[O-])cn1 Cc1ccc(cc1)[*:1] COc1ccc(cc1Cn1cc(cn1)[N+](=O)[O-])[C@@H]1Nc2ccccc2C(=O)N1[*:1]
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1Cn1cc([N+](=O)[O-])cn1 O=[N+]([O-])c1cnn(c1)[*:1] COc1ccc(cc1C[*:1])[C@@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1Cn1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] COc1ccc(cc1Cn1cc(cn1)[*:1])[C@@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1Cn1cc([N+](=O)[O-])cn1 O=[N+]([O-])c1cnn(c1)C[*:1] COc1ccc(cc1[*:1])[C@@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1
CC(C)CCNC(=O)[C@@H]1CCN(c2ccccc2)C1=O CC(C)CC[*:1] O=C(N[*:1])[C@@H]1CCN(C1=O)c1ccccc1
CC(C)CCNC(=O)[C@@H]1CCN(c2ccccc2)C1=O CC(C)[*:1] O=C(NCC[*:1])[C@@H]1CCN(C1=O)c1ccccc1
CC(C)CCNC(=O)[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)CCNC(=O)[C@@H]1CCN(C1=O)[*:1]
CC(C)CCNC(=O)[C@@H]1CCN(c2ccccc2)C1=O CC(C)C[*:1] O=C(NC[*:1])[C@@H]1CCN(C1=O)c1ccccc1
COc1ccc([C@@H]2CN(C(=O)c3nn(C)c(C)c3Cl)C[C@H]2[NH+](C)C)cc1 COc1ccc(cc1)[*:1] Cc1c(Cl)c(nn1C)C(=O)N1C[C@H]([C@@H](C1)[*:1])[NH+](C)C
COc1ccc([C@@H]2CN(C(=O)c3nn(C)c(C)c3Cl)C[C@H]2[NH+](C)C)cc1 Cc1c(Cl)c(nn1C)[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1[NH+](C)C)C(=O)[*:1]
Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1NC1CCCCC1 C1CCC(CC1)N[*:1] Nc1c(ncnc1[*:1])Nc1cc(Cl)cc(Cl)c1
Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1NC1CCCCC1 C1CCC(CC1)[*:1] Nc1c(ncnc1N[*:1])Nc1cc(Cl)cc(Cl)c1
COc1ccccc1-c1ccc(C[NH+](C)CCN2CCCC2=O)cc1 COc1ccccc1[*:1] C[NH+](CCN1CCCC1=O)Cc1ccc(cc1)[*:1]
COc1ccccc1-c1ccc(C[NH+](C)CCN2CCCC2=O)cc1 O=C1CCCN1[*:1] COc1ccccc1-c1ccc(cc1)C[NH+](C)CC[*:1]
COc1ccccc1-c1ccc(C[NH+](C)CCN2CCCC2=O)cc1 O=C1CCCN1C[*:1] COc1ccccc1-c1ccc(cc1)C[NH+](C)C[*:1]
Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCN1CCCS1(=O)=O O=S1(=O)CCCN1[*:1] Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[*:1]
Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCN1CCCS1(=O)=O Cc1ccccc1[*:1] C[C@H](CC(=O)N[*:1])[NH2+]CCN1CCCS1(=O)=O
CCc1ccc(S(=O)(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)s1 c1cc(ccn1)[*:1] CCc1ccc(s1)S(=O)(=O)NCc1cc(n(n1)C1CCCC1)[*:1]
CCc1ccc(S(=O)(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)s1 C1CCC(C1)[*:1] CCc1ccc(s1)S(=O)(=O)NCc1cc(-c2ccncc2)n(n1)[*:1]
CCc1ccc(S(=O)(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)s1 CCc1ccc(s1)[*:1] O=S(=O)(NCc1cc(-c2ccncc2)n(n1)C1CCCC1)[*:1]
Cc1cccc(CN(C(=O)Cn2c(=O)oc3ccccc32)C2CC2)c1 Cc1cccc(c1)C[*:1] O=C(Cn1c(=O)oc2ccccc21)N(C1CC1)[*:1]
Cc1cccc(CN(C(=O)Cn2c(=O)oc3ccccc32)C2CC2)c1 Cc1cccc(c1)[*:1] O=C(Cn1c(=O)oc2ccccc21)N(C[*:1])C1CC1
Cc1cccc(CN(C(=O)Cn2c(=O)oc3ccccc32)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(C(=O)Cn1c(=O)oc2ccccc21)[*:1]
Cc1ccc(NC(=O)N(C)[C@H](CCO)c2ccccc2)s1 Cc1ccc(s1)[*:1] CN(C(=O)N[*:1])[C@H](CCO)c1ccccc1
Cc1ccc(NC(=O)N(C)[C@H](CCO)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)N(C)[C@H](CCO)[*:1])s1
Cc1ccc(NC(=O)N(C)[C@H](CCO)c2ccccc2)s1 OCC[*:1] Cc1ccc(NC(=O)N(C)[C@H](c2ccccc2)[*:1])s1
Cc1noc(C)c1N(C)C(=O)c1ccoc1 c1cc(co1)[*:1] Cc1noc(C)c1N(C)C(=O)[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N2CC[C@H](C)[C@H]2C)n1 Cc1nc(C)n(n1)[*:1] C[C@H]1CCN(C(=O)Nc2ccccc2[*:1])[C@@H]1C
Cc1ccc(C)c(Cn2cnc3c(nnn3-c3ccc(Cl)cc3)c2=O)c1 Cc1ccc(C)c(c1)[*:1] O=c1c2nnn(-c3ccc(Cl)cc3)c2ncn1C[*:1]
Cc1ccc(C)c(Cn2cnc3c(nnn3-c3ccc(Cl)cc3)c2=O)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)Cn1cnc2c(nnn2[*:1])c1=O
Cc1ccccc1[C@H]1CC(=O)N=C(SCC(=O)Nc2ccc(Br)cc2)[C@H]1C#N Brc1ccc(cc1)[*:1] Cc1ccccc1[C@H]1CC(=O)N=C(SCC(=O)N[*:1])[C@H]1C#N
Cc1ccccc1[C@H]1CC(=O)N=C(SCC(=O)Nc2ccc(Br)cc2)[C@H]1C#N Cc1ccccc1[*:1] N#C[C@@H]1C(=NC(=O)C[C@@H]1[*:1])SCC(=O)Nc1ccc(Br)cc1
CC(C)N1CCO[C@H](C(=O)Cc2ccc(Cl)s2)C1 CC(C)[*:1] O=C(Cc1ccc(Cl)s1)[C@@H]1CN(CCO1)[*:1]
CC(C)N1CCO[C@H](C(=O)Cc2ccc(Cl)s2)C1 Clc1ccc(s1)[*:1] CC(C)N1CCO[C@@H](C1)C(=O)C[*:1]
C/C=C/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC C/C=C/C=C[*:1] CCn1c(nc2ccccc21)[C@H]1CCCN1C(=O)[*:1]
C/C=C/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC CC=C[*:1] CCn1c(nc2ccccc21)[C@H]1CCCN1C(=O)C=C[*:1]
CCCN/C([O-])=C/C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 CCC[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CCC(/C=C(\[O-])N[*:1])CC1
CCCN/C([O-])=C/C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 CCCN[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CCC(/C=C(\[O-])[*:1])CC1
O=[N+]([O-])c1cc(/C=N/c2nc3ccccc3s2)ccc1Br O=[N+]([O-])[*:1] Brc1ccc(/C=N/c2nc3ccccc3s2)cc1[*:1]
COc1ccc(C)c2sc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc12 Fc1ccc(cc1)[*:1] COc1ccc(C)c2sc(nc12)N1CCN(CC1)S(=O)(=O)[*:1]
Cn1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cn1 Cn1cc(cn1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(Cl)c(Cl)c1)[*:1]
Cn1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cn1 Clc1ccc(cc1Cl)[*:1] Cn1cc(cn1)C(=O)NC1CC[NH+](CC1)C[*:1]
CC[C@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 CC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1
CC[C@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 CC[C@H](C)NC(=O)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCCC[C@@H]1[*:1]
CC[C@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1]
COc1cc(-c2nc3ncccc3[nH]2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])-c1nc2ncccc2[nH]1
O=C(/C=C/c1ccco1)N1CCC[C@H](c2nnc3ccccn23)C1 c1coc(c1)[*:1] O=C(C=C[*:1])N1CCC[C@@H](C1)c1nnc2ccccn12
O=C(/C=C/c1ccco1)N1CCC[C@H](c2nnc3ccccn23)C1 C(=C[*:1])c1ccco1 O=C(N1CCC[C@@H](C1)c1nnc2ccccn12)[*:1]
COc1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)no3)CC2)ccc1C COc1cc(ccc1C)[*:1] Cc1cc(NC(=O)CN2CCN(CC2)C(=O)[*:1])on1
COc1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)no3)CC2)ccc1C Cc1cc(NC(=O)[*:1])on1 COc1cc(ccc1C)C(=O)N1CCN(CC1)C[*:1]
COc1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)no3)CC2)ccc1C Cc1cc(on1)[*:1] COc1cc(ccc1C)C(=O)N1CCN(CC1)CC(=O)N[*:1]
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCc1ccccc1 CCOC(=O)[*:1] Cc1c(Cl)ccc2c(NCc3ccccc3)c(cnc12)[*:1]
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCc1ccccc1 c1ccc(cc1)C[*:1] CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N[*:1]
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCc1ccccc1 c1ccc(cc1)CN[*:1] CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1[*:1]
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NC[*:1]
COc1ccccc1[C@@H](C)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] COc1ccccc1[C@@H](C)N[C@H](c1ccc(F)cc1)[*:1]
COc1ccccc1[C@@H](C)N[C@H](CC(F)(F)F)c1ccc(F)cc1 COc1ccccc1[*:1] C[C@@H](N[C@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
COc1ccccc1[C@@H](C)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] COc1ccccc1[C@@H](C)N[C@H](C[*:1])c1ccc(F)cc1
COc1ccccc1[C@@H](C)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccccc1[C@@H](C)N[C@H](CC(F)(F)F)[*:1]
Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc(C(C)C)n1 O=[N+]([O-])[*:1] Cc1cc(nc(n1)C(C)C)NC(=O)/C=C/c1ccc(cc1)[*:1]
Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
O=C(C[S@](=O)Cc1ccc(F)cc1)NC1CCCCCCC1 Fc1ccc(cc1)[*:1] O=C(C[S@](=O)C[*:1])NC1CCCCCCC1
O=C1C[C@@H]([NH2+]Cc2ccsc2)CN1C1Cc2ccccc2C1 c1cc(cs1)[*:1] O=C1C[C@H](CN1C1Cc2ccccc2C1)[NH2+]C[*:1]
O=C1C[C@@H]([NH2+]Cc2ccsc2)CN1C1Cc2ccccc2C1 c1cc(cs1)C[*:1] O=C1C[C@H](CN1C1Cc2ccccc2C1)[NH2+][*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 Brc1ccc(cc1)O[*:1] C[C@H](C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1)[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 Brc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1
CCCc1nc(C(=O)N(C)CC2CCOCC2)n[nH]1 C1CC(CCO1)[*:1] CCCc1nc(n[nH]1)C(=O)N(C)C[*:1]
CCCc1nc(C(=O)N(C)CC2CCOCC2)n[nH]1 CCC[*:1] CN(CC1CCOCC1)C(=O)c1n[nH]c(n1)[*:1]
Cc1c(Cl)cccc1NC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc23)CC1 Cc1c(Cl)cccc1[*:1] Cc1nnc(c2nn(-c3ccccc3)c(C)c12)N1CCC(CC1)C(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc23)CC1 Cc1c(Cl)cccc1NC(=O)[*:1] Cc1nnc(c2nn(-c3ccccc3)c(C)c12)N1CCC(CC1)[*:1]
Cc1c(Cl)cccc1NC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc23)CC1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)C1CCN(CC1)c1nnc(C)c2c(C)n(nc12)[*:1]
CNC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C CNC(=O)N[*:1] COc1cc(C)c(cc1OC)[C@@H](C)[*:1]
CC[NH+](CC)CC(=O)N[C@H](c1cc(F)ccc1F)C1CC1 C1CC1[*:1] CC[NH+](CC)CC(=O)N[C@H](c1cc(F)ccc1F)[*:1]
O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)C1CCCCC1 O=C(N[*:1])C1CCCCC1 O=S(=O)(c1ccc2nc(sc2c1)[*:1])N1CCOCC1
O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)C1CCCCC1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])C1CCCCC1
O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1nc2ccc(cc2s1)S(=O)(=O)N1CCOCC1)[*:1]
Cc1cccc(NC(=O)CN2CCN(c3cccc(F)c3C#N)CC2)c1C Cc1cccc(c1C)[*:1] N#Cc1c(F)cccc1N1CCN(CC1)CC(=O)N[*:1]
Cc1cccc(NC(=O)CN2CCN(c3cccc(F)c3C#N)CC2)c1C N#Cc1c(F)cccc1[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)[*:1])c1C
COc1ccc(CNC(=O)c2cccc(-c3cc(N4CCCC4)ncn3)c2)c(OC)c1 C1CCN(C1)[*:1] COc1ccc(CNC(=O)c2cccc(c2)-c2cc(ncn2)[*:1])c(c1)OC
COc1ccc(CNC(=O)c2cccc(-c3cc(N4CCCC4)ncn3)c2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(NC[*:1])c1cccc(c1)-c1cc(ncn1)N1CCCC1
COc1ccc(-n2cnc3cc(C(=O)NC[C@H](O)c4ccccc4)ccc3c2=O)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(NC[C@H](O)c1ccccc1)c1ccc2c(=O)n(cnc2c1)[*:1]
COc1ccc(-n2cnc3cc(C(=O)NC[C@H](O)c4ccccc4)ccc3c2=O)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)-n1cnc2cc(ccc2c1=O)C(=O)NC[C@H](O)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@]12CC[NH2+]C[C@@H]2Cc1ccccc1 c1ccc(cc1)C[*:1] CS(=O)(=O)[C@H]1CCC[C@@]12CC[NH2+]C[C@H]2[*:1]
CS(=O)(=O)[C@H]1CCC[C@@]12CC[NH2+]C[C@@H]2Cc1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)[C@H]1CCC[C@@]12CC[NH2+]C[C@@H]2C[*:1]
CS(=O)(=O)[C@H]1CCC[C@@]12CC[NH2+]C[C@@H]2Cc1ccccc1 CS(=O)(=O)[*:1] c1ccc(cc1)C[C@H]1C[NH2+]CC[C@@]12CCC[C@@H]2[*:1]
CSc1cccc(CN(C)c2nccc(-c3c(C)nn(C)c3C)n2)c1 Cc1nn(C)c(C)c1[*:1] CSc1cccc(c1)CN(C)c1nccc(n1)[*:1]
CSc1cccc(CN(C)c2nccc(-c3c(C)nn(C)c3C)n2)c1 CSc1cccc(c1)[*:1] Cc1nn(C)c(C)c1-c1ccnc(n1)N(C)C[*:1]
COc1ccc([C@H]2CCCN2C(=O)CCc2c(C)nc(C)[nH]c2=O)cc1 COc1ccc(cc1)[*:1] Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2[*:1])c(=O)[nH]1
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CC(C)(C)C CC(C)(C)[*:1] Cc1nc(sc1C(=O)NNC(=O)C[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CC(C)(C)C CC(C)(C)C[*:1] Cc1nc(sc1C(=O)NNC(=O)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CC(C)(C)C c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NNC(=O)CC(C)(C)C)[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 CC(C)C[*:1] O=C(NC[C@H]1CN(CCO1)[*:1])c1ccc2[nH]nnc2c1
CC(C)CN1CCO[C@@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 CC(C)[*:1] O=C(NC[C@H]1CN(CCO1)C[*:1])c1ccc2[nH]nnc2c1
CC(C)[C@H](NCCc1nnc2n1CCCCC2)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H](NCCc1nnc2CCCCCn21)[*:1]
CC(C)[C@H](NCCc1nnc2n1CCCCC2)c1cccnc1 CC(C)[*:1] c1cncc(c1)[C@@H](NCCc1nnc2CCCCCn21)[*:1]
CC[C@@H](C)n1ncc(C(=O)NNc2cccc(C(F)(F)F)n2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NNc2cccc(n2)C(F)(F)F)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)NNc2cccc(C(F)(F)F)n2)c1C1CC1 FC(F)(F)[*:1] CC[C@@H](C)n1ncc(C(=O)NNc2cccc(n2)[*:1])c1C1CC1
C[C@H](C1CC1)N(C(=O)c1cnc(Oc2ccccc2)cn1)C1CC1 C1CC1[*:1] C[C@H](C1CC1)N(C(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
C[C@H](C1CC1)N(C(=O)c1cnc(Oc2ccccc2)cn1)C1CC1 c1ccc(cc1)O[*:1] C[C@H](C1CC1)N(C(=O)c1cnc(cn1)[*:1])C1CC1
C[C@H](C1CC1)N(C(=O)c1cnc(Oc2ccccc2)cn1)C1CC1 C1CC1[*:1] C[C@H](N(C(=O)c1cnc(cn1)Oc1ccccc1)C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)c1cnc(Oc2ccccc2)cn1)C1CC1 c1ccc(cc1)[*:1] C[C@H](C1CC1)N(C(=O)c1cnc(cn1)O[*:1])C1CC1
Cc1ccc(CNC(=O)N2CCCN(CC(F)F)CC2)cc1F FC(F)[*:1] Cc1ccc(cc1F)CNC(=O)N1CCCN(CC1)C[*:1]
Cc1ccc(CNC(=O)N2CCCN(CC(F)F)CC2)cc1F FC(F)C[*:1] Cc1ccc(cc1F)CNC(=O)N1CCCN(CC1)[*:1]
CCOC(=O)[C@]1(NC)CC[C@H](Oc2ccccc2F)C1 CCOC(=O)[*:1] CN[C@@]1(CC[C@@H](C1)Oc1ccccc1F)[*:1]
CCc1nn(C)cc1CNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] CCc1nn(C)cc1CNC(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
CCc1nn(C)cc1CNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 CCc1nn(C)cc1[*:1] O=C(NC[*:1])NC1CCN(CC1)S(=O)(=O)C1CC1
CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(nn1[*:1])-c1cccs1
CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 CCNC(=O)NC(=O)[*:1] C[C@@H](OC(=O)c1cc(nn1-c1ccccc1)-c1cccs1)[*:1]
CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 c1csc(c1)[*:1] CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(nn1-c1ccccc1)[*:1]
O=C([O-])COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccn3)nn21 c1ccc(C[*:1])nc1 O=C([O-])COc1ccccc1[C@@H]1C2C(=O)CCCC=2Nc2nc(nn21)S[*:1]
O=C([O-])COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccn3)nn21 c1ccc(CS[*:1])nc1 O=C([O-])COc1ccccc1[C@@H]1C2C(=O)CCCC=2Nc2nc(nn21)[*:1]
O=C([O-])COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccn3)nn21 O=C([O-])C[*:1] O=C1CCCC2Nc3nc(nn3[C@@H](C=21)c1ccccc1O[*:1])SCc1ccccn1
O=C([O-])COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccn3)nn21 O=C([O-])COc1ccccc1[*:1] O=C1CCCC2Nc3nc(nn3[C@@H](C=21)[*:1])SCc1ccccn1
O=C([O-])COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccn3)nn21 O=C([O-])[*:1] O=C1CCCC2Nc3nc(nn3[C@@H](C=21)c1ccccc1OC[*:1])SCc1ccccn1
O=C([O-])COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccn3)nn21 c1ccc(nc1)[*:1] O=C([O-])COc1ccccc1[C@@H]1C2C(=O)CCCC=2Nc2nc(nn21)SC[*:1]
O=C([O-])COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SCc3ccccn3)nn21 O=C([O-])CO[*:1] O=C1CCCC2Nc3nc(nn3[C@@H](C=21)c1ccccc1[*:1])SCc1ccccn1
CCN1C[C@@H](C(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)CC1=O CCN1C[C@@H](CC1=O)[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)[*:1]
CC(C)[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)N1CCC[C@H](C)C1 c1csc(c1)[*:1] CC(C)[C@@H](Sc1nnc(C[*:1])o1)C(=O)N1CCC[C@H](C)C1
CC(C)[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)N1CCC[C@H](C)C1 c1csc(c1)C[*:1] CC(C)[C@@H](Sc1nnc(o1)[*:1])C(=O)N1CCC[C@H](C)C1
CC(C)[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)N1CCC[C@H](C)C1 CC(C)[*:1] C[C@H]1CCCN(C1)C(=O)[C@H](Sc1nnc(Cc2cccs2)o1)[*:1]
Cc1ccc(C)c(C(=O)Nc2cnn(CC3CC3)c2)c1 C1CC1C[*:1] Cc1ccc(C)c(c1)C(=O)Nc1cnn(c1)[*:1]
Cc1ccc(C)c(C(=O)Nc2cnn(CC3CC3)c2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)C(=O)Nc1cnn(c1)C[*:1]
C=CCc1ccc(O[C@@H](C)c2nc3c(C)cccc3[nH]2)c(OC)c1 C=CC[*:1] COc1cc(ccc1O[C@@H](C)c1nc2c(C)cccc2[nH]1)[*:1]
COc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 c1ccc(cc1)[*:1] COc1ccc(cn1)C(=O)N1CCCC[C@@H]1[C@H](C#N)[*:1]
COc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 COc1ccc(cn1)[*:1] N#C[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)[*:1]
CNC(=O)c1cccc(NC(=O)c2cc3c(s2)CCCC3)c1 CNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2CCCCc2s1
COc1ccc(C2(C(=O)NC[C@H](O)c3ccc4c(c3)CCO4)CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H](O)c1ccc2OCCc2c1)C1(CCOCC1)[*:1]
COc1ccc(C2(C(=O)NC[C@H](O)c3ccc4c(c3)CCO4)CCOCC2)cc1 c1cc2OCCc2cc1[*:1] COc1ccc(cc1)C1(CCOCC1)C(=O)NC[C@H](O)[*:1]
COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)c1 COc1ccc(OC)c(c1)[*:1] Cc1ccc2c(NC(=O)[C@]23[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2CCCN23)[*:1])c1C
COC(=O)N(C)c1ccc(NC2CCC(c3ccc(O)cc3)CC2)cc1 Oc1ccc(cc1)[*:1] COC(=O)N(C)c1ccc(cc1)NC1CCC(CC1)[*:1]
COC(=O)N(C)c1ccc(NC2CCC(c3ccc(O)cc3)CC2)cc1 COC(=O)N(C)[*:1] Oc1ccc(cc1)C1CCC(CC1)Nc1ccc(cc1)[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]([NH+](C)C)C1 CCS[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
COC(=O)c1ccc(CSc2ccc(-c3ccc(Br)cc3)nn2)o1 Brc1ccc(cc1)[*:1] COC(=O)c1ccc(CSc2ccc(nn2)[*:1])o1
COC(=O)c1ccc(CSc2ccc(-c3ccc(Br)cc3)nn2)o1 COC(=O)[*:1] Brc1ccc(cc1)-c1ccc(nn1)SCc1ccc(o1)[*:1]
O=C(CCCO)Nc1ccc(Br)cc1F OCC[*:1] O=C(C[*:1])Nc1ccc(Br)cc1F
O=C(CCCO)Nc1ccc(Br)cc1F OCCC[*:1] O=C(Nc1ccc(Br)cc1F)[*:1]
CC(=O)c1ccc(NC(=O)c2c(Cl)nc3ccccn23)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1c(Cl)nc2ccccn12
Nc1nc(=O)n(CC(=O)Nc2ccccc2)c2sc3c(c12)CCC3 c1ccc(cc1)[*:1] Nc1nc(=O)n(CC(=O)N[*:1])c2sc3CCCc3c12
CC(=O)c1ccc(CNC(=O)OC(C)(C)C)nc1C CC(C)(C)[*:1] CC(=O)c1ccc(CNC(=O)O[*:1])nc1C
CC(=O)c1ccc(CNC(=O)OC(C)(C)C)nc1C CC(=O)[*:1] Cc1nc(ccc1[*:1])CNC(=O)OC(C)(C)C
C[C@@H](OC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](OC(=O)[C@H]1C[C@H]1[*:1])c1ccccc1[N+](=O)[O-]
C[C@@H](OC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](OC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccccc1[*:1]
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc(O)cc2O)c1 Cc1cccc(c1)[*:1] Cn1c(=O)c2c(n3CCO[C@H](c4ccc(O)cc4O)c3c2n(C)c1=O)[*:1]
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc(O)cc2O)c1 Oc1ccc(c(O)c1)[*:1] Cc1cccc(c1)-c1c2c(=O)n(C)c(=O)n(C)c2c2[C@@H](OCCn12)[*:1]
COc1ccc(F)cc1NC(=O)N1CCCN(c2nc(C)ns2)CC1 Cc1nsc(n1)[*:1] COc1ccc(F)cc1NC(=O)N1CCCN(CC1)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1O c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)c1ccccc1O
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1O Oc1ccccc1[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)[*:1]
Cc1cc2ncc([C@@H](C)N[C@@H](CO)c3ccc(Cl)c(F)c3)c(C)n2n1 Fc1cc(ccc1Cl)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)N[C@@H](CO)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc2c(c1)CCCC2 CC(C)[*:1] C[C@@](C#N)(NC(=O)COC(=O)c1ccc2CCCCc2c1)[*:1]
C[C@H](CCc1ccccc1)NS(=O)(=O)Cc1c(Cl)cccc1Cl c1ccc(cc1)[*:1] C[C@H](CC[*:1])NS(=O)(=O)Cc1c(Cl)cccc1Cl
C[C@H](CCc1ccccc1)NS(=O)(=O)Cc1c(Cl)cccc1Cl c1ccc(cc1)C[*:1] C[C@H](C[*:1])NS(=O)(=O)Cc1c(Cl)cccc1Cl
COC(=O)CCNC(=O)CN1CCO[C@H](c2ccc(F)cc2)C1 COC(=O)CC[*:1] O=C(CN1CCO[C@@H](C1)c1ccc(F)cc1)N[*:1]
COC(=O)CCNC(=O)CN1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] COC(=O)CCNC(=O)CN1CCO[C@H](C1)[*:1]
COC(=O)CCNC(=O)CN1CCO[C@H](c2ccc(F)cc2)C1 COC(=O)[*:1] O=C(CN1CCO[C@@H](C1)c1ccc(F)cc1)NCC[*:1]
COC(=O)CCNC(=O)CN1CCO[C@H](c2ccc(F)cc2)C1 COC(=O)C[*:1] O=C(CN1CCO[C@@H](C1)c1ccc(F)cc1)NC[*:1]
Cc1[nH]ncc1C(=O)N[C@@H](C)c1ccc2ccccc2c1 Cc1[nH]ncc1[*:1] C[C@H](NC(=O)[*:1])c1ccc2ccccc2c1
COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1 COc1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(n1)-c1nc(cs1)[*:1]
COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1 C[C@@H](Oc1ccccc1)[*:1] COc1ccc(cc1)-c1csc(n1)-n1nc(C)cc1NC(=O)[*:1]
COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1csc(n1)-n1nc(C)cc1NC(=O)[C@@H](C)O[*:1]
COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)-c1csc(n1)-n1nc(C)cc1NC(=O)[C@@H](C)[*:1]
CCOC(=O)c1sc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c(C(=O)OC)c1C O=[N+]([O-])[*:1] CCOC(=O)c1sc(/N=C2\C(=O)Nc3ccc(cc32)[*:1])c(C(=O)OC)c1C
CCOC(=O)c1sc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c(C(=O)OC)c1C COC(=O)[*:1] CCOC(=O)c1sc(/N=C2\C(=O)Nc3ccc(cc32)[N+](=O)[O-])c(c1C)[*:1]
CCOC(=O)c1sc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c(C(=O)OC)c1C CCOC(=O)[*:1] COC(=O)c1c(/N=C2\C(=O)Nc3ccc(cc32)[N+](=O)[O-])sc(c1C)[*:1]
Cc1cc(C)cc(N2C(=O)N(Cc3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 Clc1cccc(c1)[*:1] Cc1cc(C)cc(c1)N1C(=O)N(C[*:1])[C@H]2CS(=O)(=O)C[C@H]21
Cc1cc(C)cc(N2C(=O)N(Cc3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 Cc1cc(C)cc(c1)[*:1] O=C1N(Cc2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1cc(C)cc(N2C(=O)N(Cc3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 Clc1cccc(c1)C[*:1] Cc1cc(C)cc(c1)N1C(=O)N([C@H]2CS(=O)(=O)C[C@H]21)[*:1]
C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C1=CCCCO1 CC(C)(C)[*:1] C[C@@H](CNC(=O)O[*:1])N(C)C(=O)C1=CCCCO1
CO[C@H](C)C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CO[C@H](C)C(=O)N(CC1CC1)c1ccc(Cl)c(c1)[*:1]
CO[C@H](C)C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 C1CC1[*:1] CO[C@H](C)C(=O)N(C[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
CO[C@H](C)C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 C1CC1C[*:1] CO[C@H](C)C(=O)N(c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
COc1ccc2[nH]cc([C@H](C)[NH2+]CC(C)(C)N3CCS(=O)CC3)c2c1 O=S1CCN(CC1)[*:1] COc1ccc2[nH]cc(c2c1)[C@H](C)[NH2+]CC(C)(C)[*:1]
CCCCN(CC(N)=O)S(=O)(=O)c1c(C)sc2ccccc12 NC(=O)[*:1] CCCCN(C[*:1])S(=O)(=O)c1c(C)sc2ccccc12
CCCCN(CC(N)=O)S(=O)(=O)c1c(C)sc2ccccc12 CCCC[*:1] Cc1sc2ccccc2c1S(=O)(=O)N(CC(N)=O)[*:1]
CCCCN(CC(N)=O)S(=O)(=O)c1c(C)sc2ccccc12 NC(=O)C[*:1] CCCCN(S(=O)(=O)c1c(C)sc2ccccc12)[*:1]
CCCCN(CC(N)=O)S(=O)(=O)c1c(C)sc2ccccc12 CCC[*:1] Cc1sc2ccccc2c1S(=O)(=O)N(CC(N)=O)C[*:1]
CON(C)C(=O)CN1CC(=O)N[C@H]2CCCC[C@@H]21 CON(C)C(=O)[*:1] O=C1CN(C[*:1])[C@H]2CCCC[C@@H]2N1
[NH3+][C@H]1CCCCC[C@H]1C(=O)NC[C@@H]1CCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)NC[C@@H]1CCC[C@H]1[*:1]
Cn1nc(C2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)n(C2CC2)c1=O Cn1nc(n(c1=O)C1CC1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(CC1)[*:1]
Cn1nc(C2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)n(C2CC2)c1=O C1CC1[*:1] Cn1nc(C2CCN(CC2)C(=O)CN2C(=O)c3ccccc3C2=O)n(c1=O)[*:1]
CCOC(=O)Cn1c(=O)nc(N)c2c3c(sc21)COC(C)(C)C3 CCOC(=O)C[*:1] CC1(C)Cc2c(CO1)sc1c2c(N)nc(=O)n1[*:1]
CCOC(=O)Cn1c(=O)nc(N)c2c3c(sc21)COC(C)(C)C3 CCOC(=O)[*:1] CC1(C)Cc2c(CO1)sc1c2c(N)nc(=O)n1C[*:1]
COC[C@H](C)NC(=O)Nc1ccccc1CN1CCc2ccccc21 COC[*:1] C[C@H](NC(=O)Nc1ccccc1CN1CCc2ccccc21)[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NC[C@@H]3CCCS3)C2)CC1 C1CS[C@@H](C1)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NC[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NC[C@@H]3CCCS3)C2)CC1 C1CS[C@@H](C1)C[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)N[*:1]
CC(C)COc1ccc(CNc2ccc(C#N)cn2)cc1 CC(C)C[*:1] N#Cc1ccc(nc1)NCc1ccc(cc1)O[*:1]
CC(C)COc1ccc(CNc2ccc(C#N)cn2)cc1 CC(C)CO[*:1] N#Cc1ccc(nc1)NCc1ccc(cc1)[*:1]
CC(C)COc1ccc(CNc2ccc(C#N)cn2)cc1 CC(C)[*:1] N#Cc1ccc(nc1)NCc1ccc(cc1)OC[*:1]
CCCCOc1cccc(Cl)c1C[NH2+]C CCC[*:1] C[NH2+]Cc1c(Cl)cccc1OC[*:1]
CCCCOc1cccc(Cl)c1C[NH2+]C CCCCO[*:1] C[NH2+]Cc1c(Cl)cccc1[*:1]
CCCCOc1cccc(Cl)c1C[NH2+]C CCCC[*:1] C[NH2+]Cc1c(Cl)cccc1O[*:1]
C[C@@H](NC(=O)/C=C/c1sc2ccccc2c1Cl)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@@H](NC(=O)/C=C/c1sc2ccccc2c1Cl)[*:1]
Cc1ccc([N+](=O)[O-])cc1OCC(C)(C)C(=O)NN NNC(=O)[*:1] Cc1ccc(cc1OCC(C)(C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1OCC(C)(C)C(=O)NN O=[N+]([O-])[*:1] Cc1ccc(cc1OCC(C)(C)C(=O)NN)[*:1]
CCCNC(=O)N(CC)Cc1ccc(Cl)c(Cl)c1 CCC[*:1] CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[*:1]
Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cccc(c1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1[*:1]
Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 Cc1cccc(c1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(cc2)[N+](=O)[O-])N1[*:1]
Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(cc1)[*:1]
O=C(CCN1CCC[NH+](CCC(=O)N2CCCCC2)CC1)N1CCCCC1 O=C(C[*:1])N1CCCCC1 O=C(CCN1CCC[NH+](CC1)C[*:1])N1CCCCC1
O=C(CCN1CCC[NH+](CCC(=O)N2CCCCC2)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(CC[NH+]1CCCN(CC1)CC[*:1])N1CCCCC1
O=C(CCN1CCC[NH+](CCC(=O)N2CCCCC2)CC1)N1CCCCC1 O=C(C[*:1])N1CCCCC1 O=C(CC[NH+]1CCCN(CC1)C[*:1])N1CCCCC1
O=C(CCN1CCC[NH+](CCC(=O)N2CCCCC2)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(CCN1CCC[NH+](CC1)CC[*:1])N1CCCCC1
N#Cc1ccsc1NC(=O)CCSc1ccc(C(F)(F)F)cn1 N#Cc1ccsc1[*:1] O=C(CCSc1ccc(cn1)C(F)(F)F)N[*:1]
N#Cc1ccsc1NC(=O)CCSc1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] N#Cc1ccsc1NC(=O)CCSc1ccc(cn1)[*:1]
Cc1cc(C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)on1 Cc1cc(on1)[*:1] O=C(N1CCN(CC1)Cc1ccc(s1)-c1cccc(Cl)c1)[*:1]
Cc1cc(C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)on1 Clc1cccc(c1)[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)Cc1ccc(s1)[*:1]
CCc1ccc(N)cc1S(=O)(=O)[N-]c1cc(C)on1 Cc1cc(no1)[*:1] CCc1ccc(N)cc1S(=O)(=O)[N-][*:1]
COc1ccc([C@H](Cc2ccccc2C)Nc2ncccn2)cc1OC c1cnc(nc1)N[*:1] COc1ccc(cc1OC)[C@H](Cc1ccccc1C)[*:1]
COc1ccc([C@H](Cc2ccccc2C)Nc2ncccn2)cc1OC c1cnc(nc1)[*:1] COc1ccc(cc1OC)[C@H](Cc1ccccc1C)N[*:1]
COc1ccc([C@H](Cc2ccccc2C)Nc2ncccn2)cc1OC Cc1ccccc1[*:1] COc1ccc(cc1OC)[C@H](C[*:1])Nc1ncccn1
COc1ccc([C@H](Cc2ccccc2C)Nc2ncccn2)cc1OC Cc1ccccc1C[*:1] COc1ccc(cc1OC)[C@H](Nc1ncccn1)[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)NC(=C[*:1])C(=O)OCC(=O)c1ccccc1
CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccccc1 O=C(c1ccccc1)[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)OC[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccccc1 CC(=O)N[*:1] O=C(OCC(=O)c1ccccc1)C(=Cc1ccccc1)[*:1]
Cc1ccc(-n2ncc3c(SCC(=O)Nc4c(F)cc(F)cc4Br)ncnc32)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1ncnc2c1cnn2[*:1])Nc1c(F)cc(F)cc1Br
Cc1ccc(-n2ncc3c(SCC(=O)Nc4c(F)cc(F)cc4Br)ncnc32)cc1 Fc1cc(F)c(c(Br)c1)[*:1] Cc1ccc(cc1)-n1ncc2c(ncnc21)SCC(=O)N[*:1]
CCOC(=O)C1CCN(C(=O)C[NH+]2CCCCCC2)CC1 CCOC(=O)[*:1] O=C(C[NH+]1CCCCCC1)N1CCC(CC1)[*:1]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccco1 c1coc(c1)[*:1] COc1ccc(cc1S(=O)(=O)N[C@@H](c1ccccc1)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N[C@@H](c1ccco1)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccco1 O=[N+]([O-])[*:1] COc1ccc(cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccco1)[*:1]
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O c1ccc(cc1)[*:1] C[C@@]1(CC[*:1])NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O N#Cc1cccc(c1)[*:1] C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N[*:1])C1=O
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O c1ccc(cc1)C[*:1] C[C@@]1(C[*:1])NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O c1ccc(cc1)CC[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O)[*:1]
CCc1nnc(NC(=O)[C@@H](CC)NS(=O)(=O)c2ccc(Br)cc2)s1 Brc1ccc(cc1)[*:1] CCc1nnc(NC(=O)[C@@H](CC)NS(=O)(=O)[*:1])s1
CCc1nnc(NC(=O)[C@@H](CC)NS(=O)(=O)c2ccc(Br)cc2)s1 CCc1nnc(s1)[*:1] CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[*:1]
C[C@H]1CC[C@@H](Nc2ccccc2O[C@@H]2CCOC2)C1 C1C[C@H](CO1)O[*:1] C[C@H]1CC[C@H](C1)Nc1ccccc1[*:1]
C[C@H]1CC[C@@H](Nc2ccccc2O[C@@H]2CCOC2)C1 C[C@H]1CC[C@@H](C1)[*:1] c1ccc(O[C@@H]2CCOC2)c(c1)N[*:1]
C[C@H]1CC[C@@H](Nc2ccccc2O[C@@H]2CCOC2)C1 C1C[C@H](CO1)[*:1] C[C@H]1CC[C@H](C1)Nc1ccccc1O[*:1]
COc1ccc(S(=O)(=O)N(C)Cc2cnn(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)Cc1cnn(n1)[*:1]
COc1ccc(S(=O)(=O)N(C)Cc2cnn(-c3ccccc3)n2)cc1 COc1ccc(cc1)[*:1] CN(Cc1cnn(n1)-c1ccccc1)S(=O)(=O)[*:1]
C=CCNC(=O)NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] C=CCNC(=O)NC(=O)Cn1nnc(n1)-c1cccc(c1)[*:1]
C=CCNC(=O)NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 C=CC[*:1] O=C(Cn1nnc(n1)-c1cccc(c1)C(F)(F)F)NC(=O)N[*:1]
CCOc1ccccc1OC(=O)c1nc2nc(C)cc(C)n2n1 CCO[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Oc1ccccc1[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCC2CC2)cc1 O=C(NCC1CC1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(cc1)[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCC2CC2)cc1 C1CC1[*:1] C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(cc1)C(=O)NC[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCC2CC2)cc1 C1CC1C[*:1] C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(cc1)C(=O)N[*:1]
C[C@@](CO)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)C1CC1 N#Cc1cccc(c1)[*:1] C[C@@](CO)(NC(=O)Nc1ccc(cc1)OC[*:1])C1CC1
C[C@@](CO)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)C1CC1 N#Cc1cccc(c1)C[*:1] C[C@@](CO)(NC(=O)Nc1ccc(cc1)O[*:1])C1CC1
C[C@@](CO)(NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)C1CC1 C1CC1[*:1] C[C@@](CO)(NC(=O)Nc1ccc(cc1)OCc1cccc(C#N)c1)[*:1]
CC[C@@H](NC(=O)CCCN1C(=O)CNC1=O)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@@H](NC(=O)CCCN1C(=O)CNC1=O)[*:1]
CC[C@@H](NC(=O)CCCN1C(=O)CNC1=O)c1cc(F)ccc1F O=C1CNC(=O)N1[*:1] CC[C@@H](NC(=O)CCC[*:1])c1cc(F)ccc1F
CC[C@@H](NC(=O)CCCN1C(=O)CNC1=O)c1cc(F)ccc1F O=C1CNC(=O)N1C[*:1] CC[C@@H](NC(=O)CC[*:1])c1cc(F)ccc1F
CCOC(=O)[C@@H]1CN(C(=O)OCC)CCC1=O CCOC(=O)[*:1] CCOC(=O)N1CCC(=O)[C@@H](C1)[*:1]
COc1cc(C[C@H](C#N)c2nc3ccccc3[nH]2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C[C@H](C#N)c1nc2ccccc2[nH]1
COc1cc(C[C@H](C#N)c2nc3ccccc3[nH]2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C[C@H](C#N)c1nc2ccccc2[nH]1
O=C(/C=C/c1ccc(Cl)cc1)Nc1nnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] O=C(/C=C/c1ccc(Cl)cc1)Nc1nnc(s1)[*:1]
O=C(/C=C/c1ccc(Cl)cc1)Nc1nnc([C@H]2CCCO2)s1 Clc1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1nnc(s1)[C@H]1CCCO1
Cn1ncnc1NC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 Cn1ncnc1[*:1] O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)N[*:1]
COc1cc(F)cc(CNC(=O)N2CCC(c3ccnn3C)CC2)c1 Cn1nccc1[*:1] COc1cc(F)cc(c1)CNC(=O)N1CCC(CC1)[*:1]
[NH3+]Cc1ccccc1N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] [NH3+]Cc1ccccc1N1CCN(CC1)[*:1]
CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3cc(-c4ccc(Cl)cc4)nn3c2C)CC1 CCOC(=O)N1CCC(CC1)[*:1] Cc1nc2cc(nn2c(C)c1CCC(=O)N[*:1])-c1ccc(Cl)cc1
CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3cc(-c4ccc(Cl)cc4)nn3c2C)CC1 Clc1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)CCc1c(C)nc2cc(nn2c1C)[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2ccccc2Cn2cncn2)ccn1 c1ncn(C[*:1])n1 CC(C)(C)Oc1cc(ccn1)C(=O)Nc1ccccc1[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2ccccc2Cn2cncn2)ccn1 c1ncn(n1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)Nc1ccccc1C[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2ccccc2Cn2cncn2)ccn1 CC(C)(C)O[*:1] O=C(Nc1ccccc1Cn1cncn1)c1ccnc(c1)[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2ccccc2Cn2cncn2)ccn1 CC(C)(C)[*:1] O=C(Nc1ccccc1Cn1cncn1)c1ccnc(c1)O[*:1]
CC(C)Cc1ncc(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)Cc1ncc(CN2CCOC[C@@H]2C[C@H](O)[*:1])s1
CC(C)Cc1ncc(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)s1 O[C@H](c1ccccc1)[*:1] CC(C)Cc1ncc(CN2CCOC[C@@H]2C[*:1])s1
CC(C)Cc1ncc(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)s1 CC(C)[*:1] O[C@@H](C[C@H]1COCCN1Cc1cnc(C[*:1])s1)c1ccccc1
CC(C)Cc1ncc(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)s1 CC(C)C[*:1] O[C@@H](C[C@H]1COCCN1Cc1cnc(s1)[*:1])c1ccccc1
C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)c(F)c1)c1cccs1 C[C@H](c1cccs1)[*:1] NS(=O)(=O)c1ccc(cc1F)C(=O)NC[*:1]
C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)c(F)c1)c1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)c1ccc(c(F)c1)S(N)(=O)=O)[*:1]
C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)c(F)c1)c1cccs1 NS(=O)(=O)[*:1] C[C@H](CNC(=O)c1ccc(c(F)c1)[*:1])c1cccs1
C/C(CC(C)C)=N\NC(=S)Nc1ccc(C)cc1 CC(C)C[*:1] CC(=NNC(=S)Nc1ccc(C)cc1)[*:1]
C/C(CC(C)C)=N\NC(=S)Nc1ccc(C)cc1 CC(C)[*:1] C/C(C[*:1])=N\NC(=S)Nc1ccc(C)cc1
C[C@@H](Nc1ccccc1S(C)(=O)=O)c1ccc(F)c(F)c1 CS(=O)(=O)[*:1] C[C@@H](Nc1ccccc1[*:1])c1ccc(F)c(F)c1
[NH3+]CCc1c(-c2ccccc2)nn(-c2ccccc2)c1[O-] c1ccc(cc1)[*:1] [NH3+]CCc1c(nn(-c2ccccc2)c1[O-])[*:1]
[NH3+]CCc1c(-c2ccccc2)nn(-c2ccccc2)c1[O-] c1ccc(cc1)[*:1] [NH3+]CCc1c(nn(c1[O-])[*:1])-c1ccccc1
O=C(Nc1ccc(Br)c(Cl)c1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(Nc1ccc(Br)c(Cl)c1)N1CCOC[C@@H]1[*:1]
CCCc1ccc(C(=O)CCC(=O)N2CCO[C@H](C(N)=O)C2)cc1 CCC[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)CCC(=O)c1ccc(cc1)[*:1]
CCCc1ccc(C(=O)CCC(=O)N2CCO[C@H](C(N)=O)C2)cc1 NC(=O)[*:1] CCCc1ccc(cc1)C(=O)CCC(=O)N1CCO[C@H](C1)[*:1]
O=C(NCc1ccccc1Cl)N1CCCC[C@H]1CCO OCC[*:1] O=C(NCc1ccccc1Cl)N1CCCC[C@@H]1[*:1]
CNC(=O)c1cccc(CCNC(=O)N[C@@H]2CCc3cc(F)ccc32)c1 CNC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])N[C@@H]1CCc2cc(F)ccc21
COC(=O)CNC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccccc1Cl COC(=O)C[*:1] O=C(N[*:1])N1CCc2[nH]c[nH+]c2[C@@H]1c1ccccc1Cl
COC(=O)CNC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccccc1Cl COC(=O)[*:1] O=C(NC[*:1])N1CCc2[nH]c[nH+]c2[C@@H]1c1ccccc1Cl
COC(=O)CNC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)CNC(=O)N1CCc2[nH]c[nH+]c2[C@H]1[*:1]
Cc1cccc(C)c1NC(=O)COC1=C[C@@H]2[NH+]=c3ccccc3=C2C=C1 Cc1cccc(C)c1[*:1] O=C(COC1C=CC2=c3ccccc3=[NH+][C@H]2C=1)N[*:1]
CC(C)(C)CC[NH+]1CCN(C[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 CC(C)(C)[*:1] C[C@](O)(CN1CC[NH+](CC1)CC[*:1])c1cccc(c1)C(F)(F)F
CC(C)(C)CC[NH+]1CCN(C[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 CC(C)(C)C[*:1] C[C@](O)(CN1CC[NH+](CC1)C[*:1])c1cccc(c1)C(F)(F)F
CC(C)(C)CC[NH+]1CCN(C[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 CC(C)(C)CC[*:1] C[C@](O)(CN1CC[NH+](CC1)[*:1])c1cccc(c1)C(F)(F)F
CC(C)(C)CC[NH+]1CCN(C[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC(C)(C)CC[NH+]1CCN(CC1)C[C@](C)(O)c1cccc(c1)[*:1]
Cc1noc2ncc(S(=O)(=O)NC[C@@H](C)Oc3ccccc3)cc12 c1ccc(cc1)[*:1] Cc1noc2ncc(cc12)S(=O)(=O)NC[C@@H](C)O[*:1]
Cc1noc2ncc(S(=O)(=O)NC[C@@H](C)Oc3ccccc3)cc12 c1ccc(cc1)O[*:1] Cc1noc2ncc(cc12)S(=O)(=O)NC[C@@H](C)[*:1]
C[C@H](CNC(=O)c1cnc2sc3c(n2c1=O)CCC3)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1cnc2sc3CCCc3n2c1=O)[*:1]
C[C@H](CNC(=O)c1cnc2sc3c(n2c1=O)CCC3)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(NC[*:1])c1cnc2sc3CCCc3n2c1=O
CC(C)(NC(=O)Nc1ccccc1)/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 FC(F)(F)[*:1] CC(C)(NC(=O)Nc1ccccc1)/C([O-])=N/c1nc(n[nH]1)[*:1]
CC(C)(NC(=O)Nc1ccccc1)/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 c1ccc(cc1)[*:1] CC(C)(NC(=O)N[*:1])/C([O-])=N/c1nc(n[nH]1)C(F)(F)F
Cc1noc(-c2ccnc(N3CC[C@@H](C)[C@H](O)C3)c2)n1 Cc1noc(n1)[*:1] C[C@@H]1CCN(C[C@H]1O)c1cc(ccn1)[*:1]
Cc1cc(F)ccc1CCNC(=O)CCn1cc([N+](=O)[O-])nc1C Cc1cc(F)ccc1[*:1] Cc1nc(cn1CCC(=O)NCC[*:1])[N+](=O)[O-]
Cc1cc(F)ccc1CCNC(=O)CCn1cc([N+](=O)[O-])nc1C O=[N+]([O-])[*:1] Cc1cc(F)ccc1CCNC(=O)CCn1cc(nc1C)[*:1]
CC(C)N(C[C@@H]1CCCCO1)S(=O)(=O)N1CCO[C@@H](C)C1 C1CC[C@H](OC1)[*:1] CC(C)N(C[*:1])S(=O)(=O)N1CCO[C@@H](C)C1
CC(C)N(C[C@@H]1CCCCO1)S(=O)(=O)N1CCO[C@@H](C)C1 C1CC[C@@H](C[*:1])OC1 CC(C)N(S(=O)(=O)N1CCO[C@@H](C)C1)[*:1]
CC(C)N(C[C@@H]1CCCCO1)S(=O)(=O)N1CCO[C@@H](C)C1 CC(C)[*:1] C[C@H]1CN(CCO1)S(=O)(=O)N(C[C@@H]1CCCCO1)[*:1]
COC(=O)[C@H]1c2ccsc2CCN1C(=O)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)C(=O)N1CCc2sccc2[C@@H]1[*:1]
COC(=O)[C@H]1c2ccsc2CCN1C(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H]1c2ccsc2CCN1C(=O)[*:1]
C[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 Clc1ccc(cc1Cl)[*:1] C[NH+]1CCN(CC1)S(=O)(=O)c1cccc(c1)S(=O)(=O)[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCC[C@@H]1CCCO1 Cc1n[nH]c(C)c1[*:1] O=C(NCC[C@@H]1CCCO1)N1CCC[C@@H]1[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCC[C@@H]1CCCO1 C1CO[C@@H](C1)CC[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCC[*:1]
CC[C@H]([NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1)c1cnn(C)c1 C1C[C@H](CO1)O[*:1] CC[C@H]([NH2+]Cc1ccnc(c1)[*:1])c1cnn(C)c1
CC[C@H]([NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1)c1cnn(C)c1 C1C[C@H](CO1)[*:1] CC[C@H]([NH2+]Cc1ccnc(c1)O[*:1])c1cnn(C)c1
CC[C@H]([NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@H]([NH2+]Cc1ccnc(c1)O[C@@H]1CCOC1)[*:1]
CC(C)(C)C1CCC([NH+]2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 CC(C)(C)[*:1] NC(=O)c1ccc(o1)S(=O)(=O)N1CC[NH+](CC1)C1CCC(CC1)[*:1]
CC(C)(C)C1CCC([NH+]2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 NC(=O)[*:1] CC(C)(C)C1CCC(CC1)[NH+]1CCN(CC1)S(=O)(=O)c1ccc(o1)[*:1]
CC(C)(C)C1CCC([NH+]2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 NC(=O)c1ccc(o1)[*:1] CC(C)(C)C1CCC(CC1)[NH+]1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)c1cc2cc(NS(=O)(=O)c3ccccc3)ccc2s1 c1ccc(cc1)[*:1] COC(=O)c1cc2cc(ccc2s1)NS(=O)(=O)[*:1]
COC(=O)c1cc2cc(NS(=O)(=O)c3ccccc3)ccc2s1 COC(=O)[*:1] O=S(=O)(Nc1ccc2sc(cc2c1)[*:1])c1ccccc1
CC[C@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CCO1 Fc1ccccc1[*:1] CC[C@H]1CN(CCO1)C(=O)c1cnn(c1C(F)(F)F)[*:1]
CC[C@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CCO1 FC(F)(F)[*:1] CC[C@H]1CN(CCO1)C(=O)c1cnn(-c2ccccc2F)c1[*:1]
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)nc2)c1 CC(C)NC(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1ccc(Cl)nc1
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)nc2)c1 CC(C)[*:1] O=C(Nc1cc(ccc1Cl)C(=O)N[*:1])c1ccc(Cl)nc1
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)nc2)c1 Clc1ccc(cn1)[*:1] CC(C)NC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
Cc1ccc(-n2c(=S)[nH]c([O-])c([C@@H]3NCCC4=c5ccccc5=[NH+][C@@H]43)c2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=c1c(c([O-])[nH]c(=S)n1[*:1])[C@@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
O=C(CNS(=O)(=O)c1cccs1)Nc1ccccc1N1CCc2ccccc21 O=S(=O)(N[*:1])c1cccs1 O=C(C[*:1])Nc1ccccc1N1CCc2ccccc21
O=C(CNS(=O)(=O)c1cccs1)Nc1ccccc1N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] O=C(CNS(=O)(=O)c1cccs1)Nc1ccccc1[*:1]
O=C(CNS(=O)(=O)c1cccs1)Nc1ccccc1N1CCc2ccccc21 c1csc(c1)[*:1] O=C(CNS(=O)(=O)[*:1])Nc1ccccc1N1CCc2ccccc21
CC(C)CCN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C CC(C)(C)[*:1] CC(C)CCN(C)C(=O)[C@H](C)NC(=O)[*:1]
CC(C)CCN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C CC(C)CC[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)[*:1]
CC(C)CCN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C CC(C)C[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)C[*:1]
CC(C)CCN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C CC(C)[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CC[*:1]
CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=O)C1=C(C)Nc2nc(nn2[C@H]1[*:1])SCc1ccccc1F
CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(Br)cc1 Fc1ccccc1[*:1] CC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1ccc(Br)cc1)SC[*:1]
CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(Br)cc1 Fc1ccccc1C[*:1] CC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1ccc(Br)cc1)S[*:1]
CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(Br)cc1 CC(=O)[*:1] CC1Nc2nc(nn2[C@@H](C=1[*:1])c1ccc(Br)cc1)SCc1ccccc1F
CC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(Br)cc1 Fc1ccccc1CS[*:1] CC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1ccc(Br)cc1)[*:1]
Cc1c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NCC1CCN(CC1)c1cc[nH+]cc1
CC(C)CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)C1CC1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c[nH+]1)CNC(=O)N(CC[*:1])C1CC1
CC(C)CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)C1CC1 CC(C)CC[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c[nH+]1)CNC(=O)N(C1CC1)[*:1]
CC(C)CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)C1CC1 CC(C)C[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c[nH+]1)CNC(=O)N(C[*:1])C1CC1
CC(C)CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)C1CC1 C1CC1[*:1] CC(C)CCN(C(=O)NCc1ccc([nH+]c1)N1C[C@H](C)O[C@@H](C)C1)[*:1]
CC1(C)[C@H]2CC[C@]1(C)/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S1)C2 FC(F)(F)[*:1] CC1(C)[C@H]2CC[C@]1(C)/C(C2)=N\N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(c2)[*:1])S1
CC1(C)[C@H]2CC[C@]1(C)/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S1)C2 FC(F)(F)c1cccc(c1)[*:1] CC1(C)[C@H]2CC[C@]1(C)/C(C2)=N\N=C1\NC(=O)[C@H](CC(=O)N[*:1])S1
CCOC(=O)Nc1nc2c(s1)CN(C(=O)CSc1nc3ccccc3s1)CC2 c1ccc2sc(nc2c1)[*:1] CCOC(=O)Nc1nc2CCN(Cc2s1)C(=O)CS[*:1]
CCOC(=O)Nc1nc2c(s1)CN(C(=O)CSc1nc3ccccc3s1)CC2 CCOC(=O)N[*:1] O=C(CSc1nc2ccccc2s1)N1CCc2nc(sc2C1)[*:1]
C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@H](c1nnc(o1)[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 O=[N+]([O-])[*:1] C[C@H](c1nnc(o1)-c1ccc(cc1)[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 c1csc(c1)[*:1] C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)[*:1]
C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 c1ccc(cc1)[*:1] C[NH+](C)C[C@@H](C[*:1])NS(=O)(=O)c1cccs1
C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 c1ccc(cc1)C[*:1] C[NH+](C)C[C@@H](NS(=O)(=O)c1cccs1)[*:1]
COc1ccc(NC(=O)C(=O)NCCc2ccc(-n3cccn3)cc2)c(C)c1 c1cnn(c1)[*:1] COc1ccc(NC(=O)C(=O)NCCc2ccc(cc2)[*:1])c(C)c1
COc1ccc(NC(=O)C(=O)NCCc2ccc(-n3cccn3)cc2)c(C)c1 COc1ccc(c(C)c1)[*:1] O=C(NCCc1ccc(cc1)-n1cccn1)C(=O)N[*:1]
O=C(c1cn(C2CCCC2)cc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1=O)N1CCCCC1 C1CCC(C1)[*:1] O=C(c1cn(cc(C(=O)N2CCC[C@@H](C2)c2ccccc2)c1=O)[*:1])N1CCCCC1
O=C(c1cn(C2CCCC2)cc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(c1cn(cc(c1=O)[*:1])C1CCCC1)N1CCC[C@@H](C1)c1ccccc1
O=C(c1cn(C2CCCC2)cc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1=O)N1CCCCC1 c1ccc(cc1)[*:1] O=C(c1cn(cc(C(=O)N2CCC[C@H](C2)[*:1])c1=O)C1CCCC1)N1CCCCC1
CC[C@H](C)c1ccc(S(=O)(=O)Oc2ccc(C#N)cc2OC)cc1 CC[C@H](C)[*:1] COc1cc(C#N)ccc1OS(=O)(=O)c1ccc(cc1)[*:1]
C#CCN(CC#C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 O=[N+]([O-])[*:1] C#CCN(CC#C)C(=O)c1cn(nn1)-c1cccc(c1)[*:1]
C#CCN(CC#C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 C#CC[*:1] C#CCN(C(=O)c1cn(nn1)-c1cccc(c1)[N+](=O)[O-])[*:1]
CCCCCOc1ccc([C@H]2NC(=O)[C@@H]3CCCCN32)cc1 CCCCC[*:1] O=C1N[C@H](c2ccc(cc2)O[*:1])N2CCCC[C@@H]12
CCCCCOc1ccc([C@H]2NC(=O)[C@@H]3CCCCN32)cc1 CCCC[*:1] O=C1N[C@H](c2ccc(cc2)OC[*:1])N2CCCC[C@@H]12
CCCCCOc1ccc([C@H]2NC(=O)[C@@H]3CCCCN32)cc1 CCC[*:1] O=C1N[C@H](c2ccc(cc2)OCC[*:1])N2CCCC[C@@H]12
CCCCCOc1ccc([C@H]2NC(=O)[C@@H]3CCCCN32)cc1 CCCCCO[*:1] O=C1N[C@H](c2ccc(cc2)[*:1])N2CCCC[C@@H]12
CCc1cnc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)s1 CCc1cnc(s1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)N1CCCC1
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 Fc1ccc(F)c(c1)[*:1] CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CCn1c([O-])c2ccc(C(=O)N[C@H](C)c3cccnc3)cc2nc1=S c1cncc(c1)[*:1] CCn1c([O-])c2ccc(cc2nc1=S)C(=O)N[C@H](C)[*:1]
CCn1c([O-])c2ccc(C(=O)N[C@H](C)c3cccnc3)cc2nc1=S C[C@H](c1cccnc1)[*:1] CCn1c([O-])c2ccc(cc2nc1=S)C(=O)N[*:1]
CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1 CCN(CC)S(=O)(=O)[*:1] Cc1cc2occ(CC(=O)Nc3ccc(cc3)[*:1])c2cc1C
Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCS(=O)CC2)c(C)c1 O=S1CCN(CC1)[*:1] Cc1ccc(c(C)c1)[C@H](C)[NH2+]CC(C)(C)[*:1]
CCS[C@@H]1CC[C@@]1([O-])CNc1nccn(CC(C)C)c1=O CC(C)[*:1] CCS[C@@H]1CC[C@@]1([O-])CNc1nccn(C[*:1])c1=O
CCS[C@@H]1CC[C@@]1([O-])CNc1nccn(CC(C)C)c1=O CCS[*:1] CC(C)Cn1ccnc(NC[C@]2([O-])CC[C@H]2[*:1])c1=O
CCS[C@@H]1CC[C@@]1([O-])CNc1nccn(CC(C)C)c1=O CC(C)C[*:1] CCS[C@@H]1CC[C@@]1([O-])CNc1nccn(c1=O)[*:1]
O=C(CSCc1ccco1)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(CSCc1ccco1)Nc1ccccc1[*:1]
O=C(CSCc1ccco1)Nc1ccccc1-c1ccccc1 c1coc(c1)CS[*:1] O=C(C[*:1])Nc1ccccc1-c1ccccc1
O=C(CSCc1ccco1)Nc1ccccc1-c1ccccc1 c1coc(c1)[*:1] O=C(CSC[*:1])Nc1ccccc1-c1ccccc1
O=C(CSCc1ccco1)Nc1ccccc1-c1ccccc1 c1coc(c1)C[*:1] O=C(CS[*:1])Nc1ccccc1-c1ccccc1
CC(C)c1n[nH]c(SCC(=O)c2c[nH]c3ccccc23)n1 CC(C)[*:1] O=C(CSc1nc(n[nH]1)[*:1])c1c[nH]c2ccccc12
Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N[C@H]1CCCN(C[*:1])C1=O
Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O
Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] c1ccc(cc1)C[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N[C@H]1CCCN(C1=O)[*:1]
COC[C@H](C)NC(=O)NNc1cccnn1 COC[*:1] C[C@H](NC(=O)NNc1cccnn1)[*:1]
COC[C@H](C)NC(=O)NNc1cccnn1 COC[C@H](C)[*:1] O=C(NNc1cccnn1)N[*:1]
COCCOc1ncccc1CNC(=O)N1CCCC[C@H]1C COC[*:1] C[C@@H]1CCCCN1C(=O)NCc1cccnc1OC[*:1]
COCCOc1ncccc1CNC(=O)N1CCCC[C@H]1C COCC[*:1] C[C@@H]1CCCCN1C(=O)NCc1cccnc1O[*:1]
COCCOc1ncccc1CNC(=O)N1CCCC[C@H]1C COCCO[*:1] C[C@@H]1CCCCN1C(=O)NCc1cccnc1[*:1]
C[C@H](OC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)[C@H]1CCOC1 CC(C)(C)CNC(=O)[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])[C@H]1CCOC1
C[C@H](OC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)[C@H]1CCOC1 CC(C)(C)C[*:1] C[C@H](OC(=O)c1ccc(cc1)C(=O)N[*:1])[C@H]1CCOC1
C[C@H](OC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)[C@H]1CCOC1 CC(C)(C)[*:1] C[C@H](OC(=O)c1ccc(cc1)C(=O)NC[*:1])[C@H]1CCOC1
COC[C@@H]([NH2+][C@@H]1CCOc2ccc(C(C)C)cc21)C1CC1 C1CC1[*:1] COC[C@@H]([NH2+][C@@H]1CCOc2ccc(cc21)C(C)C)[*:1]
COC[C@@H]([NH2+][C@@H]1CCOc2ccc(C(C)C)cc21)C1CC1 CC(C)[*:1] COC[C@@H]([NH2+][C@@H]1CCOc2ccc(cc21)[*:1])C1CC1
COC[C@@H]([NH2+][C@@H]1CCOc2ccc(C(C)C)cc21)C1CC1 COC[*:1] CC(C)c1ccc2OCC[C@@H]([NH2+][C@@H](C3CC3)[*:1])c2c1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)CC2)c(C)c1 Fc1cccc(c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[NH+](C)[C@H](CNC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1cccc(F)c1
CCOc1ccc(C(=O)NCc2ccco2)cc1OC c1coc(c1)[*:1] CCOc1ccc(cc1OC)C(=O)NC[*:1]
CCOc1ccc(C(=O)NCc2ccco2)cc1OC c1coc(c1)C[*:1] CCOc1ccc(cc1OC)C(=O)N[*:1]
CCOc1ccc(C(=O)NCc2ccco2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)NCc1ccco1
CC(C)(C)C1=C[C@H](C2=NN3C=Nc4ccccc4[C@H]3N2)N=N1 CC(C)(C)[*:1] C1=Nc2ccccc2[C@H]2NC(=NN12)[C@H]1C=C(N=N1)[*:1]
Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)CC4(CC(=O)[O-])CCCC4)[C@@H]3C2=O)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)N1C(=O)N[C@@H]2CCN(C(=O)CC3(CCCC3)[*:1])[C@@H]2C1=O
Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)CC4(CC(=O)[O-])CCCC4)[C@@H]3C2=O)cc1 O=C([O-])[*:1] Cc1ccc(cc1)N1C(=O)N[C@@H]2CCN(C(=O)CC3(CCCC3)C[*:1])[C@@H]2C1=O
Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)CC4(CC(=O)[O-])CCCC4)[C@@H]3C2=O)cc1 Cc1ccc(cc1)[*:1] O=C([O-])CC1(CCCC1)CC(=O)N1CC[C@H]2NC(=O)N(C(=O)[C@H]21)[*:1]
C[C@H](NC(=O)NNc1ccc(-n2cccn2)nn1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)NNc1ccc(nn1)-n1cccn1)[*:1]
C[C@H](NC(=O)NNc1ccc(-n2cccn2)nn1)[C@@H]1CCCO1 c1cnn(c1)[*:1] C[C@H](NC(=O)NNc1ccc(nn1)[*:1])[C@@H]1CCCO1
CC(=O)c1cccc(OC[C@H](O)Cn2nnc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)OC[C@H](O)Cn1nnc(n1)[*:1]
CC(=O)c1cccc(OC[C@H](O)Cn2nnc(-c3ccccc3)n2)c1 CC(=O)[*:1] O[C@@H](COc1cccc(c1)[*:1])Cn1nnc(n1)-c1ccccc1
C[NH2+][C@@H](c1ccn(CC(=O)N(C)C(C)C)c1)C1CC1 C1CC1[*:1] C[NH2+][C@@H](c1ccn(c1)CC(=O)N(C)C(C)C)[*:1]
C[NH2+][C@@H](c1ccn(CC(=O)N(C)C(C)C)c1)C1CC1 CC(C)[*:1] C[NH2+][C@@H](c1ccn(c1)CC(=O)N(C)[*:1])C1CC1
COc1cccc(C(=O)NC[C@@H](c2cccn2C)N2CCOCC2)c1OC C1CN(CCO1)[*:1] COc1cccc(C(=O)NC[C@@H](c2cccn2C)[*:1])c1OC
COc1cccc(C(=O)NC[C@@H](c2cccn2C)N2CCOCC2)c1OC Cn1cccc1[*:1] COc1cccc(C(=O)NC[C@@H](N2CCOCC2)[*:1])c1OC
COCc1cc(NCc2cc(F)cc(OC)c2)nc(C(C)(C)C)n1 COC[*:1] COc1cc(F)cc(c1)CNc1cc(nc(n1)C(C)(C)C)[*:1]
COCc1cc(NCc2cc(F)cc(OC)c2)nc(C(C)(C)C)n1 CC(C)(C)[*:1] COCc1cc(nc(n1)[*:1])NCc1cc(F)cc(c1)OC
COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CCN(Cc1cccc(O)c1)CC2 Oc1cccc(c1)C[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)[C@H](C)c1ccco1)[*:1]
COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CCN(Cc1cccc(O)c1)CC2 c1coc(c1)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)[C@H](C)[*:1])Cc1cccc(O)c1
COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CCN(Cc1cccc(O)c1)CC2 Oc1cccc(c1)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)[C@H](C)c1ccco1)C[*:1]
CCOC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)C1 CCOC[*:1] CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H](C1)[*:1])c1ccccc1
CCOC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)C1 c1ccc(cc1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)[C@@H]([C@@H](C)CC)[*:1]
CCOC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)C1 CCO[*:1] CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H](C1)C[*:1])c1ccccc1
CCOC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)C1 CC[C@H](C)[*:1] CCOC[C@H]1CCCN(C1)C(=O)[C@@H](c1ccccc1)[*:1]
Cc1nc(SCC(=O)Nc2ccc(F)c(F)c2)c(C#N)c(C)c1C Fc1ccc(cc1F)[*:1] Cc1nc(SCC(=O)N[*:1])c(C#N)c(C)c1C
O=C(Cc1cccnc1)N[C@@H]1CCCCC[C@H]1C(=O)[O-] c1cncc(c1)[*:1] O=C(C[*:1])N[C@@H]1CCCCC[C@H]1C(=O)[O-]
O=C(Cc1cccnc1)N[C@@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Cc1cccnc1)N[C@@H]1CCCCC[C@@H]1[*:1]
Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@](C)(O)C(C)C CC(C)[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)NC[C@@](C)(O)[*:1]
C[NH+]1CCN(c2cc(CNC(=O)/C=C/c3ccc(C#N)cc3)cc[nH+]2)CC1 N#Cc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)C=C[*:1]
O=C(CCC1CCCCC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 C1CCC(CC1)C[*:1] O=C(C[*:1])N1CCCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(CCC1CCCCC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCC1CCCCC1)N1CCCN(CC1)S(=O)(=O)[*:1]
O=C(CCC1CCCCC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 C1CCC(CC1)CC[*:1] O=C(N1CCCN(CC1)S(=O)(=O)c1ccc(F)cc1)[*:1]
O=C(CCC1CCCCC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 C1CCC(CC1)[*:1] O=C(CC[*:1])N1CCCN(CC1)S(=O)(=O)c1ccc(F)cc1
COc1cc([C@H]2c3c(-c4ccccc4)nnc([O-])c3Nc3nnnn32)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1c2c(nnc([O-])c2Nc2nnnn21)[*:1]
COc1cc([C@H]2c3c(-c4ccccc4)nnc([O-])c3Nc3nnnn32)ccc1O COc1cc(ccc1O)[*:1] [O-]c1nnc(-c2ccccc2)c2c1Nc1nnnn1[C@H]2[*:1]
CCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CCO[C@H](C)[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[*:1]
CCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CCO[*:1] C[C@H](C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[*:1]
CCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1[*:1]
N#Cc1c(N)sc2c1CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C2 O=[N+]([O-])[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)c1cccc(c1[O-])[*:1]
CC[C@@H](C)n1c([O-])c(C(=O)c2ccc(OC)cc2)c(C)c(C#N)c1=O COc1ccc(cc1)[*:1] CC[C@@H](C)n1c([O-])c(C(=O)[*:1])c(C)c(C#N)c1=O
N#Cc1csc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)c1 N#Cc1csc(c1)[*:1] O=C1CCc2cc(ccc2N1)OC(=O)[*:1]
NC(=O)[C@H]([NH3+])Cc1ccccc1 NC(=O)[*:1] [NH3+][C@H](Cc1ccccc1)[*:1]
Cn1cnc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 Cn1cnc(n1)[*:1] FC(F)(F)c1cc(cc(c1)C(F)(F)F)CNC[*:1]
Cn1cnc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] Cn1cnc(CNCc2cc(cc(c2)[*:1])C(F)(F)F)n1
Cn1cnc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 Cn1cnc(C[*:1])n1 FC(F)(F)c1cc(cc(c1)C(F)(F)F)CN[*:1]
CCC[C@H]1CC[C@H](O)[C@H](CCOC(F)(F)F)C1 CCC[*:1] O[C@H]1CC[C@@H](C[C@H]1CCOC(F)(F)F)[*:1]
CCC[C@H]1CC[C@H](O)[C@H](CCOC(F)(F)F)C1 FC(F)(F)[*:1] CCC[C@H]1CC[C@H](O)[C@H](CCO[*:1])C1
CCC[C@H]1CC[C@H](O)[C@H](CCOC(F)(F)F)C1 FC(F)(F)O[*:1] CCC[C@H]1CC[C@H](O)[C@H](CC[*:1])C1
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cccc(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1C)N(CC(=O)Nc1cccnc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cccc(C)c2C)cc1 Cc1cccc(c1C)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1cccnc1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cccc(C)c2C)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[*:1])c1cccc(C)c1C
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cccc(C)c2C)cc1 O=C(Nc1cccnc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1cccc(C)c1C
CC(C)=CCOc1cccc(C(=O)Nc2nccn(C)c2=O)c1 CC(C)=CCO[*:1] Cn1ccnc(NC(=O)c2cccc(c2)[*:1])c1=O
CC(C)=CCOc1cccc(C(=O)Nc2nccn(C)c2=O)c1 CC(C)=CC[*:1] Cn1ccnc(NC(=O)c2cccc(c2)O[*:1])c1=O
CC(C)=CCOc1cccc(C(=O)Nc2nccn(C)c2=O)c1 CC(C)=C[*:1] Cn1ccnc(NC(=O)c2cccc(c2)OC[*:1])c1=O
Cc1cccc(Nc2nc3c(c(=O)[nH]2)[C@@H](c2ccc4c(c2)OCCCO4)[C@@H](C#N)C(=O)N3)c1 Cc1cccc(c1)[*:1] N#C[C@H]1C(=O)Nc2nc(N[*:1])[nH]c(=O)c2[C@H]1c1ccc2OCCCOc2c1
Cc1cccc(Nc2nc3c(c(=O)[nH]2)[C@@H](c2ccc4c(c2)OCCCO4)[C@@H](C#N)C(=O)N3)c1 c1cc2OCCCOc2cc1[*:1] Cc1cccc(c1)Nc1nc2NC(=O)[C@H](C#N)[C@H](c2c(=O)[nH]1)[*:1]
Cc1cccc(Nc2nc3c(c(=O)[nH]2)[C@@H](c2ccc4c(c2)OCCCO4)[C@@H](C#N)C(=O)N3)c1 Cc1cccc(c1)N[*:1] N#C[C@H]1C(=O)Nc2nc([nH]c(=O)c2[C@H]1c1ccc2OCCCOc2c1)[*:1]
CC(C)OC(=O)N1CCC(NC(=O)[C@H]2SCCc3ccccc32)CC1 CC(C)[*:1] O=C(NC1CCN(CC1)C(=O)O[*:1])[C@H]1SCCc2ccccc21
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])[C@H]1CCS(=O)(=O)C1
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[*:1]
CC(=O)c1cccc(NC(=O)Cn2nc3c(Oc4ccc(F)cc4)nccn3c2=O)c1 Fc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)Cn1nc2c(nccn2c1=O)O[*:1]
CC(=O)c1cccc(NC(=O)Cn2nc3c(Oc4ccc(F)cc4)nccn3c2=O)c1 CC(=O)c1cccc(c1)[*:1] O=C(Cn1nc2c(nccn2c1=O)Oc1ccc(F)cc1)N[*:1]
CC(=O)c1cccc(NC(=O)Cn2nc3c(Oc4ccc(F)cc4)nccn3c2=O)c1 CC(=O)[*:1] O=C(Cn1nc2c(nccn2c1=O)Oc1ccc(F)cc1)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)Cn2nc3c(Oc4ccc(F)cc4)nccn3c2=O)c1 Fc1ccc(cc1)O[*:1] CC(=O)c1cccc(c1)NC(=O)Cn1nc2c(nccn2c1=O)[*:1]
COc1ccc(OC)c(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1 O=C(N1CCOCC1)[*:1] COc1ccc(OC)c(c1)N(C[*:1])S(C)(=O)=O
Cn1nc([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c2nccnc21 Fc1ccc(cc1F)[*:1] Cn1nc(c2nccnc21)[C@H]1CCCN(C1)C[*:1]
CCc1nc(CN2CCC[C@H]([NH2+]CC3CCN(C(C)=O)CC3)C2)no1 CCc1nc(no1)[*:1] CC(=O)N1CCC(CC1)C[NH2+][C@H]1CCCN(C1)C[*:1]
CCc1nc(CN2CCC[C@H]([NH2+]CC3CCN(C(C)=O)CC3)C2)no1 CCc1nc(C[*:1])no1 CC(=O)N1CCC(CC1)C[NH2+][C@H]1CCCN(C1)[*:1]
CCN(CC)C(=O)CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccccc2OC)c2ccccc21 CCN(CC)C(=O)[*:1] COc1ccccc1N1C(=O)c2ccccc2N[C@]12C(=O)N(C[*:1])c1ccccc12
CCN(CC)C(=O)CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccccc2OC)c2ccccc21 CCN(CC)C(=O)C[*:1] COc1ccccc1N1C(=O)c2ccccc2N[C@]12C(=O)N(c1ccccc12)[*:1]
CCN(CC)C(=O)CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccccc2OC)c2ccccc21 COc1ccccc1[*:1] CCN(CC)C(=O)CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2[*:1])c2ccccc21
Cn1nc2n(C)c(=O)c3ccc(C(=O)NC4CCCCC4)cc3n2c1=O C1CCC(CC1)[*:1] Cn1nc2n(C)c(=O)c3ccc(cc3n2c1=O)C(=O)N[*:1]
CCN1C(=O)c2cccc3c(NC(=O)[C@H]4CCCN4S(=O)(=O)c4ccc(Cl)s4)ccc1c23 Clc1ccc(s1)[*:1] CCN1C(=O)c2cccc3c(ccc1c23)NC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
CC(C)Nc1nc([C@@H](C)n2ncc3ccccc3c2=O)cc(=O)[nH]1 CC(C)[*:1] C[C@H](c1cc(=O)[nH]c(n1)N[*:1])n1ncc2ccccc2c1=O
CC(C)Nc1nc([C@@H](C)n2ncc3ccccc3c2=O)cc(=O)[nH]1 CC(C)N[*:1] C[C@H](c1cc(=O)[nH]c(n1)[*:1])n1ncc2ccccc2c1=O
COc1ccc([C@H](O)[C@@H](C)NC(=O)Nc2ccc(-n3cccn3)cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)-n1cccn1)[C@@H](O)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)Nc2ccc(-n3cccn3)cc2)cc1 c1cnn(c1)[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCC1 C1CC(C1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)C(F)F)[*:1]
O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCC1 FC(F)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[*:1])C1CCC1
O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCC1 O=S(=O)(C(F)F)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCC1
Cc1cnn(CC(=O)NCCOc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] Cc1cnn(c1)CC(=O)NCCOc1cccc(c1)[*:1]
Cc1cnn(CC(=O)NCCOc2cccc(C(F)(F)F)c2)c1 Cc1cnn(c1)[*:1] O=C(C[*:1])NCCOc1cccc(c1)C(F)(F)F
Cc1cnn(CC(=O)NCCOc2cccc(C(F)(F)F)c2)c1 Cc1cnn(c1)C[*:1] O=C(NCCOc1cccc(c1)C(F)(F)F)[*:1]
COc1ccc(C(C)=O)cc1CS(=O)(=O)Cc1cc(C)on1 Cc1cc(no1)[*:1] COc1ccc(cc1CS(=O)(=O)C[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CS(=O)(=O)Cc1cc(C)on1 CC(=O)[*:1] COc1ccc(cc1CS(=O)(=O)Cc1cc(C)on1)[*:1]
COc1ccc(C(C)=O)cc1CS(=O)(=O)Cc1cc(C)on1 Cc1cc(C[*:1])no1 COc1ccc(cc1CS(=O)(=O)[*:1])C(C)=O
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C Cc1cccc(c1C)[*:1] COc1ccc(Br)cc1/C=C(\C#N)C(=O)N[*:1]
COc1cccc(OCc2ccccc2NC(=O)c2n[nH]c3c2CCc2ncccc2-3)c1 COc1cccc(c1)O[*:1] O=C(Nc1ccccc1C[*:1])c1n[nH]c2-c3cccnc3CCc12
COc1cccc(OCc2ccccc2NC(=O)c2n[nH]c3c2CCc2ncccc2-3)c1 COc1cccc(c1)OC[*:1] O=C(Nc1ccccc1[*:1])c1n[nH]c2-c3cccnc3CCc12
COc1cccc(OCc2ccccc2NC(=O)c2n[nH]c3c2CCc2ncccc2-3)c1 COc1cccc(c1)[*:1] O=C(Nc1ccccc1CO[*:1])c1n[nH]c2-c3cccnc3CCc12
CC(C)Oc1ccc(CC[C@H](C)Nc2cc(Cl)nc(N)n2)cc1 CC(C)O[*:1] C[C@@H](CCc1ccc(cc1)[*:1])Nc1cc(Cl)nc(N)n1
CC(C)Oc1ccc(CC[C@H](C)Nc2cc(Cl)nc(N)n2)cc1 CC(C)[*:1] C[C@@H](CCc1ccc(cc1)O[*:1])Nc1cc(Cl)nc(N)n1
CCCC[C@@H](NC(N)=O)C(=O)NC1(c2cccc(Br)c2)CCC1 Brc1cccc(c1)[*:1] CCCC[C@@H](NC(N)=O)C(=O)NC1(CCC1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)NC1(c2cccc(Br)c2)CCC1 CCC[*:1] NC(=O)N[C@H](C[*:1])C(=O)NC1(CCC1)c1cccc(Br)c1
CCCC[C@@H](NC(N)=O)C(=O)NC1(c2cccc(Br)c2)CCC1 CCCC[*:1] NC(=O)N[C@@H](C(=O)NC1(CCC1)c1cccc(Br)c1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)NC1(c2cccc(Br)c2)CCC1 NC(=O)N[*:1] CCCC[C@@H](C(=O)NC1(CCC1)c1cccc(Br)c1)[*:1]
COC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] COC[C@H](C)NC(=O)c1cccc(c1C)[*:1]
COC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C COC[C@H](C)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N[*:1]
COC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C COC[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N[C@@H](C)[*:1]
CCC[C@@H](NC(N)=O)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 CCC[*:1] NC(=O)N[C@@H](C(=O)N1CC=C(CC1)c1ccc(Cl)cc1)[*:1]
CCC[C@@H](NC(N)=O)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCC[C@@H](NC(N)=O)C(=O)N1CC=C(CC1)[*:1]
CCC[C@@H](NC(N)=O)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 NC(=O)N[*:1] CCC[C@@H](C(=O)N1CC=C(CC1)c1ccc(Cl)cc1)[*:1]
COC[C@H](C)Oc1ccc(C(F)(F)F)cc1N COC[C@H](C)[*:1] Nc1cc(ccc1O[*:1])C(F)(F)F
COC[C@H](C)Oc1ccc(C(F)(F)F)cc1N FC(F)(F)[*:1] COC[C@H](C)Oc1ccc(cc1N)[*:1]
COC[C@H](C)Oc1ccc(C(F)(F)F)cc1N COC[*:1] C[C@H](Oc1ccc(cc1N)C(F)(F)F)[*:1]
CCCOCCOC(=O)C1CCN(C(=O)N(C)C)CC1 CCC[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)OCCO[*:1]
CCCOCCOC(=O)C1CCN(C(=O)N(C)C)CC1 CCCO[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)OCC[*:1]
CCCOCCOC(=O)C1CCN(C(=O)N(C)C)CC1 CCCOCC[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)O[*:1]
CCCOCCOC(=O)C1CCN(C(=O)N(C)C)CC1 CCCOC[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)OC[*:1]
O=C(Nc1cc(C#CCCO)ccc1Cl)NC1CCCC1 OCC[*:1] O=C(Nc1cc(C#C[*:1])ccc1Cl)NC1CCCC1
O=C(Nc1cc(C#CCCO)ccc1Cl)NC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cc(C#CCCO)ccc1Cl)N[*:1]
O=C(Nc1cc(C#CCCO)ccc1Cl)NC1CCCC1 OCCC#C[*:1] O=C(Nc1cc(ccc1Cl)[*:1])NC1CCCC1
CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2cccc(=O)n2C)cc1 CCOC(=O)[*:1] Cn1c(cccc1=O)C(=O)N(CC1CC1)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2cccc(=O)n2C)cc1 Cn1c(cccc1=O)[*:1] CCOC(=O)c1ccc(cc1)N(CC1CC1)C(=O)[*:1]
CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2cccc(=O)n2C)cc1 C1CC1[*:1] CCOC(=O)c1ccc(cc1)N(C[*:1])C(=O)c1cccc(=O)n1C
CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2cccc(=O)n2C)cc1 C1CC1C[*:1] CCOC(=O)c1ccc(cc1)N(C(=O)c1cccc(=O)n1C)[*:1]
CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1F CC(C)C[*:1] C[NH+](C)CCN(C(=O)Nc1cccc(F)c1F)[*:1]
CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1F CC(C)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Nc1cccc(F)c1F
COc1cccc(N2CC[C@@H](CNC(=O)N3CCC(C)CC3)C2)c1 COc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)NC[C@@H]1CCN(C1)[*:1]
COc1ccc(/C=C(\NC(=O)C(C)(C)C)C(=O)N2CCOCC2)cc1 CC(C)(C)[*:1] COc1ccc(/C=C(\NC(=O)[*:1])C(=O)N2CCOCC2)cc1
COc1ccc(/C=C(\NC(=O)C(C)(C)C)C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(/C=C(\NC(=O)C(C)(C)C)[*:1])cc1
COc1ccc(/C=C(\NC(=O)C(C)(C)C)C(=O)N2CCOCC2)cc1 CC(C)(C)C(=O)N[*:1] COc1ccc(C=C(C(=O)N2CCOCC2)[*:1])cc1
COc1ccc(/C=C(\NC(=O)C(C)(C)C)C(=O)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)C(=O)NC(=C[*:1])C(=O)N1CCOCC1
CSc1cccc(NC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)c1 CSc1cccc(c1)[*:1] O=C(N[*:1])c1cccc(c1)-c1nccnc1N1CCCC1
CSc1cccc(NC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)c1 C1CCN(C1)[*:1] CSc1cccc(c1)NC(=O)c1cccc(c1)-c1nccnc1[*:1]
Cc1ccc(NC(=O)C[C@@H]2COCCN2Cc2ccc3c(c2)OCO3)cn1 Cc1ccc(cn1)[*:1] O=C(C[C@@H]1COCCN1Cc1ccc2OCOc2c1)N[*:1]
Cc1ccc(NC(=O)C[C@@H]2COCCN2Cc2ccc3c(c2)OCO3)cn1 c1cc2OCOc2cc1[*:1] Cc1ccc(cn1)NC(=O)C[C@@H]1COCCN1C[*:1]
C=CCN(CC=C)C(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1 C=CC[*:1] C=CCN(C(=O)CSC1NC(=O)[C@H](C#N)C(C)(C)C=1C#N)[*:1]
Cc1ccc(O[C@@H](C)CNc2ncccc2S(N)(=O)=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CNc1ncccc1S(N)(=O)=O)O[*:1]
Cc1ccc(O[C@@H](C)CNc2ncccc2S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1)O[C@@H](C)CNc1ncccc1[*:1]
COC[C@@H](C)[NH+]1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COC[C@@H](C)[NH+]1CCN(CC1)Cc1c[nH]nc1[*:1]
COC[C@@H](C)[NH+]1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 COC[*:1] C[C@@H]([NH+]1CCN(CC1)Cc1c[nH]nc1-c1cccc(Cl)c1)[*:1]
COc1cc(C(N)=[NH2+])ccc1OCc1nc(C)c(C)s1 NC(=[NH2+])[*:1] COc1cc(ccc1OCc1nc(C)c(C)s1)[*:1]
O=S(=O)(c1cccc(F)c1)N1CCN(C2CCSCC2)CC1 Fc1cccc(c1)[*:1] O=S(=O)(N1CCN(CC1)C1CCSCC1)[*:1]
O=S(=O)(c1cccc(F)c1)N1CCN(C2CCSCC2)CC1 C1CC(CCS1)[*:1] O=S(=O)(c1cccc(F)c1)N1CCN(CC1)[*:1]
CCOC(=O)/C=C/C(=O)Cl O=C(Cl)[*:1] CCOC(=O)C=C[*:1]
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cc(F)c(F)cc1F c1ccc(cc1)C[*:1] CN(C)C(=O)[C@@H](NC(=O)Nc1cc(F)c(F)cc1F)[*:1]
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cc(F)c(F)cc1F c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](C[*:1])NC(=O)Nc1cc(F)c(F)cc1F
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cc(F)c(F)cc1F CN(C)C(=O)[*:1] O=C(Nc1cc(F)c(F)cc1F)N[C@H](Cc1ccccc1)[*:1]
CCS[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC(=O)O2)C1 CCS[*:1] O=C1CC[C@H](O1)C(=O)N[C@H]1CC[C@H](C1)[*:1]
Cc1nc(-c2ncccn2)sc1C(=O)N(C)CC(N)=O c1cnc(nc1)[*:1] Cc1nc(sc1C(=O)N(C)CC(N)=O)[*:1]
Cc1nc(-c2ncccn2)sc1C(=O)N(C)CC(N)=O NC(=O)C[*:1] Cc1nc(sc1C(=O)N(C)[*:1])-c1ncccn1
Cc1nc(-c2ncccn2)sc1C(=O)N(C)CC(N)=O NC(=O)[*:1] Cc1nc(sc1C(=O)N(C)C[*:1])-c1ncccn1
CCn1cc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 c1csc(c1)[*:1] CCn1cc(C(=O)N2CCN(CC2)C(=O)[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
CCn1cc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] CCn1cc(C(=O)N2CCN(CC2)C(=O)c2cccs2)c2nn(c(=O)c-2c1)[*:1]
COc1cc(-c2noc(-c3cnn(-c4ccccc4)c3)n2)ccn1 COc1cc(ccn1)[*:1] c1ccc(cc1)-n1cc(cn1)-c1nc(no1)[*:1]
COc1cc(-c2noc(-c3cnn(-c4ccccc4)c3)n2)ccn1 c1ccc(cc1)[*:1] COc1cc(ccn1)-c1noc(n1)-c1cnn(c1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)CSC2=NC(=O)C3=C4CCCC[C@H]4SC3=N2)cc1 NS(=O)(=O)[*:1] O=C(CSC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21)Nc1ccc(cc1)[*:1]
C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(C=O)cc3)c2C#N)C1 O=Cc1ccc(cc1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)COC(=O)[*:1])c2C#N
O=C(NCc1ccc[nH]1)C1(c2cccc(Cl)c2)CCC1 c1c[nH]c(c1)[*:1] O=C(NC[*:1])C1(CCC1)c1cccc(Cl)c1
O=C(NCc1ccc[nH]1)C1(c2cccc(Cl)c2)CCC1 c1c[nH]c(c1)C[*:1] O=C(N[*:1])C1(CCC1)c1cccc(Cl)c1
OC1CCN(c2cccc(Nc3ncccn3)c2)CC1 c1cnc(nc1)[*:1] OC1CCN(CC1)c1cccc(c1)N[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)cc1 CC(=O)NC[*:1] C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)cc1 CC(=O)N[*:1] C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(cc1)CC[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)cc1 CC(=O)NCC[*:1] C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(cc1)[*:1]
CCn1cc(S(=O)(=O)N2CCC(CCc3ccc(C(=O)[O-])cc3)CC2)cn1 O=C([O-])c1ccc(cc1)[*:1] CCn1cc(cn1)S(=O)(=O)N1CCC(CC1)CC[*:1]
CCn1cc(S(=O)(=O)N2CCC(CCc3ccc(C(=O)[O-])cc3)CC2)cn1 O=C([O-])[*:1] CCn1cc(cn1)S(=O)(=O)N1CCC(CCc2ccc(cc2)[*:1])CC1
CCn1cc(S(=O)(=O)N2CCC(CCc3ccc(C(=O)[O-])cc3)CC2)cn1 CCn1cc(cn1)[*:1] O=C([O-])c1ccc(cc1)CCC1CCN(CC1)S(=O)(=O)[*:1]
CCOC(Cn1c(C)nc2ccccc21)OCC CCO[*:1] CCOC(Cn1c(C)nc2ccccc21)[*:1]
Cc1ccc([C@@](C)(O)[C@H](F)C(=O)[O-])cc1F O=C([O-])[*:1] Cc1ccc(cc1F)[C@@](C)(O)[C@H](F)[*:1]
Cc1ccc(C(=O)NNC(=O)[C@H]2SCCc3sccc32)s1 Cc1ccc(s1)[*:1] O=C(NNC(=O)[*:1])[C@H]1SCCc2sccc21
O=C(NCc1ccccc1C#CCO)N1CCCC1 OCC#C[*:1] O=C(NCc1ccccc1[*:1])N1CCCC1
COc1ncc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)cn1 COc1ncc(cn1)C[*:1] c1ccc2c(cccc2c1)-c1noc2CCN(Cc12)[*:1]
COc1ncc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)cn1 COc1ncc(cn1)[*:1] c1ccc2c(cccc2c1)-c1noc2CCN(Cc12)C[*:1]
CCOCCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O CCOCC[*:1] Cn1c(=O)n(c(=O)c2c1nc1oc(cn12)C(C)(C)C)[*:1]
CCOCCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O CCOC[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc1oc(cn12)C(C)(C)C
CCOCCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O CCO[*:1] Cn1c(=O)n(CC[*:1])c(=O)c2c1nc1oc(cn12)C(C)(C)C
CCOCCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O CC(C)(C)[*:1] CCOCCn1c(=O)c2c(nc3oc(cn32)[*:1])n(C)c1=O
O=C(CSc1n[nH]c(N/N=C/c2ccco2)n1)N1CCc2ccccc2C1 C(=N/N[*:1])\c1ccco1 O=C(CSc1n[nH]c(n1)[*:1])N1CCc2ccccc2C1
O=C(CSc1n[nH]c(N/N=C/c2ccco2)n1)N1CCc2ccccc2C1 c1coc(c1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])N1CCc2ccccc2C1
NC(=O)N1CCC([NH+](Cc2ccccc2Cl)C2CCCC2)CC1 C1CCC(C1)[*:1] NC(=O)N1CCC(CC1)[NH+](Cc1ccccc1Cl)[*:1]
NC(=O)N1CCC([NH+](Cc2ccccc2Cl)C2CCCC2)CC1 Clc1ccccc1[*:1] NC(=O)N1CCC(CC1)[NH+](C[*:1])C1CCCC1
N#CNC(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] N#CNC(=O)c1ccc(cc1)O[*:1]
N#CNC(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] N#CNC(=O)c1ccc(cc1)[*:1]
N#CNC(=O)c1ccc(OC(F)(F)F)cc1 N#CNC(=O)[*:1] FC(F)(F)Oc1ccc(cc1)[*:1]
Cc1nc(CNC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)n[nH]1 Cc1nc(C[*:1])n[nH]1 CC(C)CC(=O)Nc1ccc(cc1F)C(=O)N[*:1]
Cc1nc(CNC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] CC(C)CC(=O)Nc1ccc(cc1F)C(=O)NC[*:1]
Cc1nc(CNC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)n[nH]1 CC(C)CC(=O)N[*:1] Cc1nc(CNC(=O)c2ccc(c(F)c2)[*:1])n[nH]1
Cc1nc(CNC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)n[nH]1 CC(C)[*:1] Cc1nc(CNC(=O)c2ccc(NC(=O)C[*:1])c(F)c2)n[nH]1
Cc1nc(CNC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)n[nH]1 CC(C)C[*:1] Cc1nc(CNC(=O)c2ccc(NC(=O)[*:1])c(F)c2)n[nH]1
O=C(NCc1cc(-c2ccccc2)no1)NC[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(NCc1cc(no1)[*:1])NC[C@H]1CCCO1
O=C(NCc1cc(-c2ccccc2)no1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NCc1cc(no1)-c1ccccc1)NC[*:1]
O=C(NCc1cc(-c2ccccc2)no1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(NCc1cc(no1)-c1ccccc1)N[*:1]
O=C(CCn1ncc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(CCn1ncc2ccccc21)Nc1ccc(cc1)[*:1]
O=C(CCn1ncc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCn1ncc2ccccc21)Nc1ccc(cc1)O[*:1]
O=C(CCn1ncc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 c1ccc2c(c1)cnn2[*:1] O=C(CC[*:1])Nc1ccc(cc1)Oc1ccccc1
C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)N[C@H]1CCCC[C@H]1C Clc1ccc(cc1)[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)N[C@H]1CCCC[C@H]1C
C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)N[C@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@@H]1[*:1] C[C@@H](Sc1nc(n[nH]1)-c1ccc(Cl)cc1)C(=O)N[*:1]
CCCC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 CC(C)[*:1] CCCC(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1]
CCCC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 CCCC(=O)N[*:1] CC(C)[C@@H](C[*:1])N1CC[NH+](C)CC1
CCCC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 CCC[*:1] CC(C)[C@@H](CNC(=O)[*:1])N1CC[NH+](C)CC1
Cc1ccc(N2C[C@H](C(=O)N3CCN(CCO)CC3)CC2=O)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCN(CCO)CC1
Cc1ccc(N2C[C@H](C(=O)N3CCN(CCO)CC3)CC2=O)c(F)c1 OCC[*:1] Cc1ccc(c(F)c1)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
O=C(c1c(F)cccc1F)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 FC(F)(F)[*:1] O=C(c1c(F)cccc1F)N1CCN(CC1)c1nc2nccc(-c3cccc(c3)[*:1])n2n1
O=C(c1c(F)cccc1F)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C(c1c(F)cccc1F)N1CCN(CC1)c1nc2nccc(n2n1)[*:1]
O=C(c1c(F)cccc1F)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 Fc1cccc(F)c1[*:1] O=C(N1CCN(CC1)c1nc2nccc(-c3cccc(c3)C(F)(F)F)n2n1)[*:1]
Cc1cccc2c(=O)[nH]c(CSc3nnnn3C3CCCC3)nc12 C1CCC(C1)[*:1] Cc1cccc2c(=O)[nH]c(CSc3nnnn3[*:1])nc12
COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2cccc3cccnc23)c1 O=[N+]([O-])[*:1] COC(=O)c1cc(c(=O)n(c1)Cc1cccc2cccnc12)[*:1]
COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2cccc3cccnc23)c1 COC(=O)[*:1] O=c1c(cc(cn1Cc1cccc2cccnc12)[*:1])[N+](=O)[O-]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(c1c[nH]nc1-c1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1c[nH]nc1[*:1]
CC(C)c1cc(NC(=O)NCC(C)(C)c2ccncc2)no1 c1cc(ccn1)[*:1] CC(C)c1cc(no1)NC(=O)NCC(C)(C)[*:1]
CC(C)c1cc(NC(=O)NCC(C)(C)c2ccncc2)no1 CC(C)[*:1] CC(C)(CNC(=O)Nc1cc(on1)[*:1])c1ccncc1
Cc1ccccc1NC(=O)CC[NH+]1CCCN(c2ncccc2C#N)CC1 Cc1ccccc1[*:1] N#Cc1cccnc1N1CCC[NH+](CCC(=O)N[*:1])CC1
Cc1ccccc1NC(=O)CC[NH+]1CCCN(c2ncccc2C#N)CC1 N#Cc1cccnc1[*:1] Cc1ccccc1NC(=O)CC[NH+]1CCCN(CC1)[*:1]
CC[C@H](C)c1ccc([C@H](NC(=O)c2ccc(-n3ccnc3)nc2)c2cccs2)cc1 c1csc(c1)[*:1] CC[C@H](C)c1ccc(cc1)[C@H](NC(=O)c1ccc(nc1)-n1ccnc1)[*:1]
CC[C@H](C)c1ccc([C@H](NC(=O)c2ccc(-n3ccnc3)nc2)c2cccs2)cc1 c1cn(cn1)[*:1] CC[C@H](C)c1ccc(cc1)[C@H](NC(=O)c1ccc(nc1)[*:1])c1cccs1
CC[C@H](C)c1ccc([C@H](NC(=O)c2ccc(-n3ccnc3)nc2)c2cccs2)cc1 CC[C@H](C)[*:1] O=C(N[C@@H](c1ccc(cc1)[*:1])c1cccs1)c1ccc(nc1)-n1ccnc1
CC[C@H](C)c1ccc([C@H](NC(=O)c2ccc(-n3ccnc3)nc2)c2cccs2)cc1 CC[C@H](C)c1ccc(cc1)[*:1] O=C(N[C@H](c1cccs1)[*:1])c1ccc(nc1)-n1ccnc1
Cc1cc2ncn(CCc3noc(-c4ccccc4C)n3)c2cc1C Cc1ccccc1[*:1] Cc1cc2ncn(CCc3noc(n3)[*:1])c2cc1C
CC[C@@H](NCc1nncn1C1CC1)c1ccc(Cl)c(Cl)c1 C1CC1[*:1] CC[C@@H](NCc1nncn1[*:1])c1ccc(Cl)c(Cl)c1
C/C=C/CCNC(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] C/C=C/CCNC(=O)c1cccc(c1F)[*:1]
C/C=C/CCNC(=O)c1cccc(C(F)(F)F)c1F CC=C[*:1] O=C(NCC[*:1])c1cccc(c1F)C(F)(F)F
C/C=C/CCNC(=O)c1cccc(C(F)(F)F)c1F C/C=C/CC[*:1] O=C(N[*:1])c1cccc(c1F)C(F)(F)F
C/C=C/CCNC(=O)c1cccc(C(F)(F)F)c1F C/C=C/C[*:1] O=C(NC[*:1])c1cccc(c1F)C(F)(F)F
Cc1cccc(NC(=O)CCC(=O)Nc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)CCC(=O)N[*:1]
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccccc3)sc2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)[*:1]
CCC[C@H](CCO)CNC(=O)c1cccc(F)c1F CCC[*:1] O=C(NC[C@@H](CCO)[*:1])c1cccc(F)c1F
CCC[C@H](CCO)CNC(=O)c1cccc(F)c1F OCC[*:1] CCC[C@H](CNC(=O)c1cccc(F)c1F)[*:1]
C[C@H](C[NH2+]C1CC1)Cc1ccc(O)cc1 C1CC1[*:1] C[C@H](C[NH2+][*:1])Cc1ccc(O)cc1
Cc1cc(NC(=O)c2cccc3ccccc23)sn1 Cc1cc(sn1)[*:1] O=C(N[*:1])c1cccc2ccccc12
Nc1ccc2[nH]c(NCC3CC([O-])C3)[nH+]c2c1 [O-]C1CC(C1)[*:1] Nc1ccc2[nH]c(NC[*:1])[nH+]c2c1
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] CN(C1CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 CN(C1CC1)S(=O)(=O)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 C1CC1[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(C)(=O)=O)[*:1]
Cc1ccc([C@@H](O)CN(CCC(N)=O)c2cccc(C)c2)cc1 NC(=O)CC[*:1] Cc1ccc(cc1)[C@@H](O)CN(c1cccc(C)c1)[*:1]
Cc1ccc([C@@H](O)CN(CCC(N)=O)c2cccc(C)c2)cc1 NC(=O)[*:1] Cc1ccc(cc1)[C@@H](O)CN(CC[*:1])c1cccc(C)c1
Cc1ccc([C@@H](O)CN(CCC(N)=O)c2cccc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)N(CCC(N)=O)C[C@H](O)[*:1]
Cc1ccc([C@@H](O)CN(CCC(N)=O)c2cccc(C)c2)cc1 NC(=O)C[*:1] Cc1ccc(cc1)[C@@H](O)CN(C[*:1])c1cccc(C)c1
Cc1ccc([C@@H](O)CN(CCC(N)=O)c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)[C@@H](O)CN(CCC(N)=O)[*:1]
CC(C)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 CC(C)[*:1] N#CC1=C(N)OC2CCCC(=O)C=2[C@H]1[*:1]
Cc1ccc(C[C@]2(c3ccc(-c4ccccc4)cc3)NC(N)=NC2=O)cc1 Cc1ccc(cc1)[*:1] NC1=NC(=O)[C@](C[*:1])(N1)c1ccc(cc1)-c1ccccc1
Cc1ccc(C[C@]2(c3ccc(-c4ccccc4)cc3)NC(N)=NC2=O)cc1 Cc1ccc(cc1)C[*:1] NC1=NC(=O)[C@@](N1)(c1ccc(cc1)-c1ccccc1)[*:1]
Cc1ccc(C[C@]2(c3ccc(-c4ccccc4)cc3)NC(N)=NC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C[C@@]1(NC(N)=NC1=O)c1ccc(cc1)[*:1]
COC(=O)c1sc(NC(=O)Cc2cc(C)on2)nc1C1CC1 Cc1cc(no1)[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)C[*:1]
COC(=O)c1sc(NC(=O)Cc2cc(C)on2)nc1C1CC1 COC(=O)[*:1] Cc1cc(CC(=O)Nc2nc(c(s2)[*:1])C2CC2)no1
COC(=O)c1sc(NC(=O)Cc2cc(C)on2)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)Cc1cc(C)on1
COC(=O)c1sc(NC(=O)Cc2cc(C)on2)nc1C1CC1 Cc1cc(C[*:1])no1 COC(=O)c1sc(nc1C1CC1)NC(=O)[*:1]
COC[C@H](C)[NH+]1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 CC(C)(C)[*:1] COC[C@H](C)[NH+]1CCN(CC1)Cc1c[nH]nc1[*:1]
COC[C@H](C)[NH+]1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 COC[*:1] C[C@H]([NH+]1CCN(CC1)Cc1c[nH]nc1C(C)(C)C)[*:1]
CCCc1cc2c(cc1NC(=O)c1cnc(N3CCC[C@H](C)C3)nc1)OCO2 CCC[*:1] C[C@H]1CCCN(C1)c1ncc(cn1)C(=O)Nc1cc2OCOc2cc1[*:1]
CCCc1cc2c(cc1NC(=O)c1cnc(N3CCC[C@H](C)C3)nc1)OCO2 C[C@H]1CCCN(C1)[*:1] CCCc1cc2OCOc2cc1NC(=O)c1cnc(nc1)[*:1]
C=C(C)[C@@H](O)c1ccc2c(c1)OCO2 C=C(C)[*:1] O[C@@H](c1ccc2OCOc2c1)[*:1]
Cc1ccc(OCc2n[nH]c(SCc3nnc(-c4ccccc4)o3)n2)cc1 Cc1ccc(cc1)OC[*:1] c1ccc(cc1)-c1nnc(CSc2nc(n[nH]2)[*:1])o1
Cc1ccc(OCc2n[nH]c(SCc3nnc(-c4ccccc4)o3)n2)cc1 Cc1ccc(cc1)O[*:1] c1ccc(cc1)-c1nnc(CSc2nc(C[*:1])n[nH]2)o1
Cc1ccc(OCc2n[nH]c(SCc3nnc(-c4ccccc4)o3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OCc1n[nH]c(n1)SCc1nnc(o1)[*:1]
Cc1ccc(OCc2n[nH]c(SCc3nnc(-c4ccccc4)o3)n2)cc1 Cc1ccc(cc1)[*:1] c1ccc(cc1)-c1nnc(CSc2nc(CO[*:1])n[nH]2)o1
N#Cc1ccc(S(=O)(=O)NCCc2ccc(-n3cccn3)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(NCCc1ccc(cc1)-n1cccn1)[*:1]
N#Cc1ccc(S(=O)(=O)NCCc2ccc(-n3cccn3)cc2)cc1 c1cnn(c1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)[*:1]
C=CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 Clc1ccccc1[*:1] C=CCN(C[*:1])S(=O)(=O)c1ccc2OCCOc2c1
C=CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 Clc1ccccc1C[*:1] C=CCN(S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
C=CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 C=CC[*:1] O=S(=O)(c1ccc2OCCOc2c1)N(Cc1ccccc1Cl)[*:1]
COc1ccnc(N2CCN(C(=O)N[C@@H]3CC[C@H]([NH+](C)C)C3)CC2)n1 COc1ccnc(n1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N1CCN(CC1)[*:1]
O=C(Cc1ccon1)N1CC[C@H](OCCCc2ccccc2)C1 c1cc(C[*:1])no1 O=C(N1CC[C@@H](C1)OCCCc1ccccc1)[*:1]
O=C(Cc1ccon1)N1CC[C@H](OCCCc2ccccc2)C1 c1cc(no1)[*:1] O=C(C[*:1])N1CC[C@@H](C1)OCCCc1ccccc1
O=C(Cc1ccon1)N1CC[C@H](OCCCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Cc1ccon1)N1CC[C@@H](C1)OCC[*:1]
O=C(Cc1ccon1)N1CC[C@H](OCCCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Cc1ccon1)N1CC[C@@H](C1)OCCC[*:1]
O=C1/C(=C/C2=NC=CC2)c2ccccc2N1c1ccccc1 c1ccc(cc1)[*:1] O=C1/C(=C/C2CC=CN=2)c2ccccc2N1[*:1]
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] CC[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)[*:1]
C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C)C(=O)N(C)C C[C@H](C(=O)N(C)C)[*:1] Cn1c(nnc1-c1ccco1)SCC(=O)N[*:1]
C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C)[*:1]
C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C)C(=O)N(C)C c1coc(c1)[*:1] C[C@H](NC(=O)CSc1nnc(n1C)[*:1])C(=O)N(C)C
N#CCCN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc23)CC1 N#CCC[*:1] O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc12)[NH+]1CCN(CC1)[*:1]
N#CCCN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc23)CC1 O=C([O-])[*:1] N#CCCN1CC[NH+](CC1)[C@@H](c1c[nH]c2cc(Cl)ccc12)[*:1]
N#CCCN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc23)CC1 N#CC[*:1] O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc12)[NH+]1CCN(CC1)C[*:1]
CCc1noc(CC)c1CC(=O)N[C@@](C)(C#N)CC CC[C@@](C)(C#N)[*:1] CCc1noc(CC)c1CC(=O)N[*:1]
CC(C)(C)NC(=O)CC1(C(=O)NCCc2ccccc2F)CCCC1 CC(C)(C)NC(=O)[*:1] O=C(NCCc1ccccc1F)C1(CCCC1)C[*:1]
CC(C)(C)NC(=O)CC1(C(=O)NCCc2ccccc2F)CCCC1 Fc1ccccc1[*:1] CC(C)(C)NC(=O)CC1(CCCC1)C(=O)NCC[*:1]
CC(C)(C)NC(=O)CC1(C(=O)NCCc2ccccc2F)CCCC1 CC(C)(C)[*:1] O=C(CC1(CCCC1)C(=O)NCCc1ccccc1F)N[*:1]
CC(C)(C)NC(=O)CC1(C(=O)NCCc2ccccc2F)CCCC1 CC(C)(C)NC(=O)C[*:1] O=C(NCCc1ccccc1F)C1(CCCC1)[*:1]
CC(C)(C)NC(=O)CC1(C(=O)NCCc2ccccc2F)CCCC1 Fc1ccccc1C[*:1] CC(C)(C)NC(=O)CC1(CCCC1)C(=O)NC[*:1]
COC(=O)c1ccc(C(=O)NC[C@H](C)Oc2ccccc2C)s1 COC(=O)[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc(s1)[*:1]
COC(=O)c1ccc(C(=O)NC[C@H](C)Oc2ccccc2C)s1 Cc1ccccc1[*:1] COC(=O)c1ccc(s1)C(=O)NC[C@H](C)O[*:1]
COCCCn1ccc(Nc2ncc([N+](=O)[O-])cc2C)n1 COC[*:1] Cc1cc(cnc1Nc1ccn(CC[*:1])n1)[N+](=O)[O-]
COCCCn1ccc(Nc2ncc([N+](=O)[O-])cc2C)n1 O=[N+]([O-])[*:1] COCCCn1ccc(n1)Nc1ncc(cc1C)[*:1]
COCCCn1ccc(Nc2ncc([N+](=O)[O-])cc2C)n1 COCCC[*:1] Cc1cc(cnc1Nc1ccn(n1)[*:1])[N+](=O)[O-]
COCCCn1ccc(Nc2ncc([N+](=O)[O-])cc2C)n1 COCC[*:1] Cc1cc(cnc1Nc1ccn(C[*:1])n1)[N+](=O)[O-]
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1ncn[nH]1 NC(=O)[*:1] c1n[nH]c(n1)SCC[C@H]1CCC[C@]1([NH2+]C1CC1)[*:1]
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1ncn[nH]1 c1n[nH]c(n1)S[*:1] NC(=O)[C@@]1(CCC[C@@H]1CC[*:1])[NH2+]C1CC1
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1ncn[nH]1 c1n[nH]c(n1)[*:1] NC(=O)[C@@]1(CCC[C@@H]1CCS[*:1])[NH2+]C1CC1
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1ncn[nH]1 C1CC1[*:1] NC(=O)[C@@]1(CCC[C@@H]1CCSc1ncn[nH]1)[NH2+][*:1]
O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(cc1)[*:1]
C[NH+](C)CC1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 C[NH+](C)C[*:1] Fc1ccc(cc1)CC[NH+]1CCC(CC1)[NH2+]C1CCC(CC1)[*:1]
C[NH+](C)CC1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 Fc1ccc(cc1)C[*:1] C[NH+](C)CC1CCC(CC1)[NH2+]C1CC[NH+](CC1)C[*:1]
C[NH+](C)CC1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 Fc1ccc(cc1)[*:1] C[NH+](C)CC1CCC(CC1)[NH2+]C1CC[NH+](CC1)CC[*:1]
O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccccc1F Fc1ccccc1[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)[*:1]
C[C@](N)(C(=O)N(Cc1cccc(O)c1)C1CC1)C(F)(F)F Oc1cccc(c1)[*:1] C[C@](N)(C(=O)N(C[*:1])C1CC1)C(F)(F)F
C[C@](N)(C(=O)N(Cc1cccc(O)c1)C1CC1)C(F)(F)F C1CC1[*:1] C[C@](N)(C(=O)N(Cc1cccc(O)c1)[*:1])C(F)(F)F
C[C@](N)(C(=O)N(Cc1cccc(O)c1)C1CC1)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(C(=O)N(Cc1cccc(O)c1)C1CC1)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)NCC1(c2cccc(F)c2)CCOCC1 C[C@@H](CO)[*:1] C[C@@H](NC(=O)NCC1(CCOCC1)c1cccc(F)c1)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)NCC1(c2cccc(F)c2)CCOCC1 Fc1cccc(c1)[*:1] C[C@@H](CO)[C@@H](C)NC(=O)NCC1(CCOCC1)[*:1]
CS[C@H](C)C[NH2+]C[C@@H]1CCC[C@@H](C)C1 CS[C@H](C)[*:1] C[C@@H]1CCC[C@@H](C[NH2+]C[*:1])C1
Cc1c(N[C@@H]2CCc3c(F)cccc32)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(N[C@@H]2CCc3c(F)cccc32)c(=O)n(n1C)[*:1]
C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc(C#N)c(Cl)c1 c1coc(c1)[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[*:1])C(=O)Nc1ccc(C#N)c(Cl)c1
C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc(C#N)c(Cl)c1 c1coc(c1)C[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1[*:1])C(=O)Nc1ccc(C#N)c(Cl)c1
C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc(C#N)c(Cl)c1 N#Cc1ccc(cc1Cl)[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 Cc1cccc(C)c1[*:1] CN(CC(=O)N[*:1])C(=O)C12CC3CC(CC(C3)C1)C2
CCOC(=O)[C@H]1CCCN(CN2C(=O)/C(=N\c3cccc(F)c3)c3ccccc32)C1 Fc1cccc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)CN1C(=O)C(=N[*:1])c2ccccc21
CCOC(=O)[C@H]1CCCN(CN2C(=O)/C(=N\c3cccc(F)c3)c3ccccc32)C1 CCOC(=O)[*:1] O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN1CCC[C@@H](C1)[*:1]
Cc1ccccc1N1C[C@H](C(=O)Nc2cccc(-n3nnnc3C)c2)CC1=O Cc1nnnn1[*:1] Cc1ccccc1N1C[C@@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1N1C[C@H](C(=O)Nc2cccc(-n3nnnc3C)c2)CC1=O Cc1ccccc1[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[NH+](CC(=O)NNC(=O)Cc1ccncc1)Cc1ccccc1 c1cc(ccn1)[*:1] C[NH+](CC(=O)NNC(=O)C[*:1])Cc1ccccc1
C[NH+](CC(=O)NNC(=O)Cc1ccncc1)Cc1ccccc1 c1cc(ccn1)C[*:1] C[NH+](CC(=O)NNC(=O)[*:1])Cc1ccccc1
C[NH+](CC(=O)NNC(=O)Cc1ccncc1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](CC(=O)NNC(=O)Cc1ccncc1)[*:1]
C[NH+](CC(=O)NNC(=O)Cc1ccncc1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](CC(=O)NNC(=O)Cc1ccncc1)C[*:1]
COc1ccc(C(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)cn1 CN(C)[*:1] COc1ccc(cn1)C(=O)N1CCC(CC1)c1cc2nc(ncc2c(=O)[nH]1)[*:1]
COc1ccc(C(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)cn1 COc1ccc(cn1)[*:1] CN(C)c1ncc2c(=O)[nH]c(cc2n1)C1CCN(CC1)C(=O)[*:1]
CC(C)C1=N[C@H]2N=[NH+]C(N)=C2C2=C1COC(C)(C)C2 CC(C)[*:1] CC1(C)CC2=C(CO1)C(=N[C@H]1N=[NH+]C(N)=C21)[*:1]
Cc1cccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)c1 CC(C)(C)[*:1] Cc1cccc(c1)NC(=O)Cn1nc2ccc(nn2c1=O)S[*:1]
Cc1cccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)c1 Cc1cccc(c1)[*:1] CC(C)(C)Sc1ccc2nn(CC(=O)N[*:1])c(=O)n2n1
Cc1cccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)c1 CC(C)(C)S[*:1] Cc1cccc(c1)NC(=O)Cn1nc2ccc(nn2c1=O)[*:1]
COC(=O)c1cncc(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1 COC(=O)[*:1] C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cncc(c1)[*:1]
CCN(CC)C(=O)NCCCOc1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)NCCCO[*:1]
C[NH+](C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[NH+](C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1[*:1]
C[NH+](C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[NH+](C)CCCN1C(=O)C(=O)/C(=C(/O)[*:1])[C@@H]1c1ccc(Cl)cc1
Cc1nc2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(C(=O)[O-])cc1 O=C([O-])c1ccc(cc1)[*:1] Cc1nc2ccc(cc2c(=O)n1[*:1])OCc1ccccc1
Cc1nc2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(C(=O)[O-])cc1 c1ccc(cc1)C[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccc(cc1)C(=O)[O-])O[*:1]
Cc1nc2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(C(=O)[O-])cc1 c1ccc(cc1)CO[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccc(cc1)C(=O)[O-])[*:1]
Cc1nc2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(C(=O)[O-])cc1 c1ccc(cc1)[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccc(cc1)C(=O)[O-])OC[*:1]
Cc1nc2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccc(cc1)[*:1])OCc1ccccc1
COc1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)NC(=O)COC(=O)c1ccc(o1)[*:1]
C[C@@H](NCCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 Fc1ccccc1[*:1] C[C@@H](NCC[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@@H](NCCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H](NCCc1ccccc1F)c1ccc(cc1)[*:1]
O=C(OCc1nc(C2CC2)cs1)C1(c2ccccc2)CCOCC1 C1CC1[*:1] O=C(OCc1nc(cs1)[*:1])C1(CCOCC1)c1ccccc1
O=C(OCc1nc(C2CC2)cs1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(OCc1nc(cs1)C1CC1)C1(CCOCC1)[*:1]
O=C(OCc1nc(C2CC2)cs1)C1(c2ccccc2)CCOCC1 c1sc(nc1C1CC1)[*:1] O=C(OC[*:1])C1(CCOCC1)c1ccccc1
CNS(=O)(=O)Cc1ccccc1CNc1ncccc1C#N CNS(=O)(=O)[*:1] N#Cc1cccnc1NCc1ccccc1C[*:1]
CNS(=O)(=O)Cc1ccccc1CNc1ncccc1C#N CNS(=O)(=O)C[*:1] N#Cc1cccnc1NCc1ccccc1[*:1]
Cc1ncsc1CCN(C)C(=O)Cn1nnnc1CN1C[C@H](C)O[C@H](C)C1 Cc1ncsc1C[*:1] C[C@H]1CN(Cc2nnnn2CC(=O)N(C)C[*:1])C[C@@H](C)O1
Cc1ncsc1CCN(C)C(=O)Cn1nnnc1CN1C[C@H](C)O[C@H](C)C1 Cc1ncsc1[*:1] C[C@H]1CN(Cc2nnnn2CC(=O)N(C)CC[*:1])C[C@@H](C)O1
Cc1ncsc1CCN(C)C(=O)Cn1nnnc1CN1C[C@H](C)O[C@H](C)C1 Cc1ncsc1CC[*:1] C[C@H]1CN(Cc2nnnn2CC(=O)N(C)[*:1])C[C@@H](C)O1
CCC(CC)[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CCC(CC)[NH2+][C@H]1CCCN(C[*:1])C1=O
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)COc1ccccc1O O=C([O-])[*:1] C[C@@H]1[C@H](CCN1C(=O)COc1ccccc1O)[*:1]
C[C@@H]1CCC[C@H]([NH2+][C@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] C[C@@H]1CCC[C@H]([NH2+][C@H]2c3ccccc3C(=O)N2C[*:1])[C@@H]1C
C[C@@H]1CCC[C@H]([NH2+][C@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H]1C c1ccc(cc1)C[*:1] C[C@@H]1CCC[C@H]([NH2+][C@H]2c3ccccc3C(=O)N2[*:1])[C@@H]1C
CCOC(=O)C1(C)CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)C1(CCC1)c1cccc(F)c1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1 Fc1cccc(c1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)C1(CCC1)[*:1]
O=C(CSCc1c(F)cccc1Cl)Nc1ccc2c(c1)OCCO2 Fc1cccc(Cl)c1[*:1] O=C(CSC[*:1])Nc1ccc2OCCOc2c1
C=CC[C@@H]1C(C)=NN(C(=O)c2ccc(C)cc2)[C@]1(C)O C=CC[*:1] CC1=NN(C(=O)c2ccc(C)cc2)[C@](C)(O)[C@@H]1[*:1]
COCC(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1 Cc1cccc(c1)[*:1] COCC(=O)N1CCNC(=O)[C@@H](Cc2ccc(cc2)[*:1])C1
COCC(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1 COC[*:1] Cc1cccc(c1)-c1ccc(cc1)C[C@H]1CN(CCNC1=O)C(=O)[*:1]
Cc1ccc(NC(=O)COc2cc(C)nc(N3CCCCC3)n2)cc1 C1CCN(CC1)[*:1] Cc1ccc(cc1)NC(=O)COc1cc(C)nc(n1)[*:1]
Cc1ccc(NC(=O)COc2cc(C)nc(N3CCCCC3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(nc(n1)N1CCCCC1)OCC(=O)N[*:1]
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)C12CC3CC(CC(C3)C1)C2 O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccc(cc1Br)[*:1])C12CC3CC(CC(C3)C1)C2
C=CCCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] C=CCCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[*:1]
C=CCCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 C=CCCO[*:1] C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1)[*:1]
C=CCCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 C=CCC[*:1] C[C@@H](O[*:1])C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1
C=CCCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 C=CC[*:1] C[C@@H](OC[*:1])C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1
COc1ccc(-c2nn3c(-c4cc(-c5ccccc5)n[nH]4)nnc3s2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1cc(n[nH]1)[*:1]
Cc1nc(SCC(=O)NCCOc2cccnc2)c(C#N)c(C)c1C c1cncc(c1)OC[*:1] Cc1nc(SCC(=O)NC[*:1])c(C#N)c(C)c1C
Cc1nc(SCC(=O)NCCOc2cccnc2)c(C#N)c(C)c1C c1cncc(c1)O[*:1] Cc1nc(SCC(=O)NCC[*:1])c(C#N)c(C)c1C
Cc1nc(SCC(=O)NCCOc2cccnc2)c(C#N)c(C)c1C c1cncc(c1)[*:1] Cc1nc(SCC(=O)NCCO[*:1])c(C#N)c(C)c1C
CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ncc(F)cn1 Fc1cnc(nc1)[*:1] CN(C[C@@H]1CCCN(C1)C(=O)OC(C)(C)C)[*:1]
CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ncc(F)cn1 CC(C)(C)[*:1] CN(C[C@@H]1CCCN(C1)C(=O)O[*:1])c1ncc(F)cn1
CCO[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 CCO[*:1] NC(=O)c1ccc(CN2CCC[C@H](C2)[*:1])c(c1)[N+](=O)[O-]
CCO[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 NC(=O)[*:1] CCO[C@@H]1CCCN(Cc2ccc(cc2[N+](=O)[O-])[*:1])C1
CCO[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CCO[C@@H]1CCCN(Cc2ccc(cc2[*:1])C(N)=O)C1
CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC)[*:1]
C[C@@H](NC(=O)c1c(F)cccc1F)[C@@H](c1cccs1)N1CC[NH+](C)CC1 Fc1cccc(F)c1[*:1] C[C@@H](NC(=O)[*:1])[C@@H](c1cccs1)N1CC[NH+](C)CC1
C[C@@H](NC(=O)c1c(F)cccc1F)[C@@H](c1cccs1)N1CC[NH+](C)CC1 c1csc(c1)[*:1] C[C@@H](NC(=O)c1c(F)cccc1F)[C@@H](N1CC[NH+](C)CC1)[*:1]
COc1ccccc1C(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 c1coc(c1)[*:1] COc1ccccc1C(=O)N1CC[C@H](C)C[C@H]1[*:1]
NC(=O)NCc1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)NCc1ccc(cc1)NC(=O)[C@H](Oc1ccccc1)[*:1]
NC(=O)NCc1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1 NC(=O)NC[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H](Oc1ccccc1)c1ccccc1
NC(=O)NCc1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1 NC(=O)N[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@H](Oc1ccccc1)c1ccccc1
NC(=O)NCc1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)O[*:1] NC(=O)NCc1ccc(cc1)NC(=O)[C@H](c1ccccc1)[*:1]
NC(=O)NCc1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)NCc1ccc(cc1)NC(=O)[C@H](O[*:1])c1ccccc1
O=C([O-])c1nnn(-c2ccccc2C(F)(F)F)c1-c1cccc(Cl)c1 FC(F)(F)[*:1] O=C([O-])c1nnn(-c2ccccc2[*:1])c1-c1cccc(Cl)c1
O=C([O-])c1nnn(-c2ccccc2C(F)(F)F)c1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C([O-])c1nnn(-c2ccccc2C(F)(F)F)c1[*:1]
O=C([O-])c1nnn(-c2ccccc2C(F)(F)F)c1-c1cccc(Cl)c1 O=C([O-])[*:1] FC(F)(F)c1ccccc1-n1nnc(c1-c1cccc(Cl)c1)[*:1]
Cc1cc(F)cc(N[C@H](C)/C(N)=N/O)c1 N/C(=N\O)[*:1] Cc1cc(F)cc(c1)N[C@H](C)[*:1]
O=C1CC[C@@H](C(=O)N2CCC[C@@H](c3nc(Nc4ccccc4)cc(-c4cccnc4)n3)C2)N1 c1ccc(cc1)[*:1] O=C1CC[C@H](N1)C(=O)N1CCC[C@H](C1)c1nc(cc(n1)-c1cccnc1)N[*:1]
O=C1CC[C@@H](C(=O)N2CCC[C@@H](c3nc(Nc4ccccc4)cc(-c4cccnc4)n3)C2)N1 c1cncc(c1)[*:1] O=C1CC[C@H](N1)C(=O)N1CCC[C@H](C1)c1nc(cc(n1)[*:1])Nc1ccccc1
O=C1CC[C@@H](C(=O)N2CCC[C@@H](c3nc(Nc4ccccc4)cc(-c4cccnc4)n3)C2)N1 c1ccc(cc1)N[*:1] O=C1CC[C@H](N1)C(=O)N1CCC[C@H](C1)c1nc(cc(n1)[*:1])-c1cccnc1
O=[N+]([O-])c1ccc(CN(Cc2cccs2)C2CC2)cc1F c1csc(c1)C[*:1] O=[N+]([O-])c1ccc(cc1F)CN(C1CC1)[*:1]
O=[N+]([O-])c1ccc(CN(Cc2cccs2)C2CC2)cc1F C1CC1[*:1] O=[N+]([O-])c1ccc(cc1F)CN(Cc1cccs1)[*:1]
O=[N+]([O-])c1ccc(CN(Cc2cccs2)C2CC2)cc1F O=[N+]([O-])[*:1] Fc1cc(ccc1[*:1])CN(Cc1cccs1)C1CC1
O=[N+]([O-])c1ccc(CN(Cc2cccs2)C2CC2)cc1F c1csc(c1)[*:1] O=[N+]([O-])c1ccc(cc1F)CN(C[*:1])C1CC1
C#CC[NH+]1CCC(c2nc(CC(=O)Nc3ccccc3)no2)CC1 c1ccc(cc1)[*:1] C#CC[NH+]1CCC(CC1)c1nc(CC(=O)N[*:1])no1
O=C([O-])[C@H]1CC[C@@H](CNC(=O)[C@@H]2CSc3ccccc32)O1 O=C([O-])[*:1] O=C(NC[C@@H]1CC[C@@H](O1)[*:1])[C@@H]1CSc2ccccc21
CC(=O)c1ccc(Sc2ccc(Cl)cc2)c(F)c1 CC(=O)[*:1] Fc1cc(ccc1Sc1ccc(Cl)cc1)[*:1]
C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)CC#N)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 N#CC[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccc(cc1)C(F)(F)F
CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c2=O)C1 Fc1ccc(cc1)[*:1] CCS(=O)(=O)N1CCc2c(C1)nc([nH]c2=O)[C@H]1CCCCN1C(=O)[*:1]
CC(=O)[C@H](C)C[C@@](C)(O)c1ccccc1 CC(=O)[C@H](C)[*:1] C[C@@](O)(C[*:1])c1ccccc1
CC(=O)[C@H](C)C[C@@](C)(O)c1ccccc1 CC(=O)[*:1] C[C@H](C[C@@](C)(O)c1ccccc1)[*:1]
CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 CCO[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1nnc(C[*:1])s1
CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 CCOC[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 COc1ccc(cc1)[*:1] CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 CC(=O)O[*:1] CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)[C@H]3CC[C@@]21C)[*:1]
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 CC(=O)[*:1] CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@@]4(C)CC[C@@H]32)[*:1])C1
COc1ccc(OC)c(CCNC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 COc1ccc(OC)c(c1)[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1ccc(cc1)C(=O)NCC[*:1]
CCc1nn(C)c(N2CCCC(C)(C)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(c1[*:1])N1CCCC(C)(C)CC1
CCCCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1N CCCC[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1ccc2ccccc2c1
CCCCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1N CCC[*:1] Nn1c(C[*:1])nnc1SCC(=O)Nc1ccc2ccccc2c1
O=C([O-])CSc1nc2cccnc2n1C1CCCCCC1 O=C([O-])CS[*:1] c1cnc2c(c1)nc(n2C1CCCCCC1)[*:1]
O=C([O-])CSc1nc2cccnc2n1C1CCCCCC1 O=C([O-])[*:1] c1cnc2c(c1)nc(SC[*:1])n2C1CCCCCC1
O=C([O-])CSc1nc2cccnc2n1C1CCCCCC1 C1CCCC(CC1)[*:1] O=C([O-])CSc1nc2cccnc2n1[*:1]
O=C([O-])CSc1nc2cccnc2n1C1CCCCCC1 O=C([O-])C[*:1] c1cnc2c(c1)nc(S[*:1])n2C1CCCCCC1
O=C1[C@@H](NC(=O)N2CC[C@H]3CCCC[C@@H]32)CCN1CCCc1ccccc1 c1ccc(cc1)CCC[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])N1CC[C@H]2CCCC[C@@H]21
O=C1[C@@H](NC(=O)N2CC[C@H]3CCCC[C@@H]32)CCN1CCCc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@H](CCN1CC[*:1])NC(=O)N1CC[C@H]2CCCC[C@@H]21
O=C1[C@@H](NC(=O)N2CC[C@H]3CCCC[C@@H]32)CCN1CCCc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCN1CCC[*:1])NC(=O)N1CC[C@H]2CCCC[C@@H]21
O=C1[C@@H](NC(=O)N2CC[C@H]3CCCC[C@@H]32)CCN1CCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C1[C@H](CCN1C[*:1])NC(=O)N1CC[C@H]2CCCC[C@@H]21
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2cc(C)on2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2cc(C)on2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CCNC(=O)C(=O)N[*:1]
O=c1c2ccccc2nc(SCc2nnnn2-c2ccccc2)n1-c1ccc(F)cc1 c1ccc(cc1)[*:1] O=c1c2ccccc2nc(SCc2nnnn2[*:1])n1-c1ccc(F)cc1
O=c1c2ccccc2nc(SCc2nnnn2-c2ccccc2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=c1c2ccccc2nc(SCc2nnnn2-c2ccccc2)n1[*:1]
CCC(C)(C)[C@@H]([NH3+])C(C)(C)C(=O)[O-] O=C([O-])[*:1] CCC(C)(C)[C@@H]([NH3+])C(C)(C)[*:1]
Cc1nccc(CNC(=O)[C@H](C[NH3+])CC(C)C)n1 CC(C)C[*:1] Cc1nccc(CNC(=O)[C@H](C[NH3+])[*:1])n1
Cc1nccc(CNC(=O)[C@H](C[NH3+])CC(C)C)n1 CC(C)[*:1] Cc1nccc(CNC(=O)[C@H](C[NH3+])C[*:1])n1
C[C@@H](NC(=O)c1cc(C(C)(C)C)nn1C)c1ccc(-n2ccnc2)cc1 CC(C)(C)[*:1] C[C@@H](NC(=O)c1cc(nn1C)[*:1])c1ccc(cc1)-n1ccnc1
C[C@@H](NC(=O)c1cc(C(C)(C)C)nn1C)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](NC(=O)c1cc(nn1C)C(C)(C)C)c1ccc(cc1)[*:1]
C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1CCCC[C@@H]1OC[*:1]
C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1CCCC[C@@H]1O[*:1]
C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 O=C(N1CCOCC1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1
C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 c1ccc(cc1)CO[*:1] C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1CCCC[C@H]1[*:1]
CC[C@H](NC(=O)/C=C/c1ccccc1OC)C(=O)N1CCOCC1 COc1ccccc1[*:1] CC[C@H](NC(=O)C=C[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)/C=C/c1ccccc1OC)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)/C=C/c1ccccc1OC)[*:1]
O=C(NC1=CC2=CC=N[C@@H]2C=C1)C1=C2CCC[C@H]2S[C@H]1n1cnnn1 c1nnnn1[*:1] O=C(NC1C=C[C@H]2N=CC=C2C=1)C1=C2CCC[C@H]2S[C@@H]1[*:1]
Cc1nc([C@H]2CCN2S(C)(=O)=O)cc(N(C)CCO)n1 CN(CCO)[*:1] Cc1nc(cc(n1)[*:1])[C@H]1CCN1S(C)(=O)=O
Cc1nc([C@H]2CCN2S(C)(=O)=O)cc(N(C)CCO)n1 OCC[*:1] Cc1nc(cc(n1)N(C)[*:1])[C@H]1CCN1S(C)(=O)=O
COc1ccc(C2(CNC(=O)c3ccc4c(c3)N=C(O)CO4)CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])c1ccc2OCC(O)=Nc2c1
Cc1c(C(=O)NNC(=O)CN2CCCCCC2=O)oc2ccccc12 O=C1CCCCCN1[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)C[*:1]
CCc1nn(C)cc1NC(=O)NCCOC COC[*:1] CCc1nn(C)cc1NC(=O)NC[*:1]
CCc1nn(C)cc1NC(=O)NCCOC COCC[*:1] CCc1nn(C)cc1NC(=O)N[*:1]
FC(F)(F)c1ccnc(NCCc2nccc(-c3ccccc3)n2)n1 c1ccc(cc1)[*:1] FC(F)(F)c1ccnc(n1)NCCc1nccc(n1)[*:1]
FC(F)(F)c1ccnc(NCCc2nccc(-c3ccccc3)n2)n1 FC(F)(F)[*:1] c1ccc(cc1)-c1ccnc(CCNc2nccc(n2)[*:1])n1
COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)[C@@H]2C=C(c3ccncc3)N=N2)C1 COc1ccccc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)c1ccncc1
COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)[C@@H]2C=C(c3ccncc3)N=N2)C1 c1cc(ccn1)[*:1] COc1ccccc1NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(F)cc(F)c2)CC1 CC(C)(C)[*:1] O=C(Nc1cc(F)cc(F)c1)C1CCN(CC1)C(=O)[*:1]
CCOc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)cc1 c1coc(c1)[*:1] CCOc1ccc(cc1)CC(=O)Nc1cc(nn1-c1nc2CCCCc2c(=O)[nH]1)[*:1]
CCOc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)cc1 CCOc1ccc(cc1)[*:1] O=C(C[*:1])Nc1cc(nn1-c1nc2CCCCc2c(=O)[nH]1)-c1ccco1
CCOc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)cc1 CCOc1ccc(cc1)C[*:1] O=C(Nc1cc(nn1-c1nc2CCCCc2c(=O)[nH]1)-c1ccco1)[*:1]
CCOc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1cc(nn1-c1nc2CCCCc2c(=O)[nH]1)-c1ccco1
Cc1nn(CSc2nnc(C)n2N)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CSc2nnc(C)n2N)c(C)c1[*:1]
COC(=O)C1(c2ccccc2)CCN(C(=O)CCN2CCCC2=O)CC1 c1ccc(cc1)[*:1] COC(=O)C1(CCN(CC1)C(=O)CCN1CCCC1=O)[*:1]
COC(=O)C1(c2ccccc2)CCN(C(=O)CCN2CCCC2=O)CC1 O=C1CCCN1[*:1] COC(=O)C1(CCN(CC1)C(=O)CC[*:1])c1ccccc1
COC(=O)C1(c2ccccc2)CCN(C(=O)CCN2CCCC2=O)CC1 O=C1CCCN1C[*:1] COC(=O)C1(CCN(CC1)C(=O)C[*:1])c1ccccc1
COC(=O)C1(c2ccccc2)CCN(C(=O)CCN2CCCC2=O)CC1 COC(=O)[*:1] O=C1CCCN1CCC(=O)N1CCC(CC1)(c1ccccc1)[*:1]
COC(=O)C1(c2ccccc2)CCN(C(=O)CCN2CCCC2=O)CC1 O=C1CCCN1CC[*:1] COC(=O)C1(CCN(CC1)C(=O)[*:1])c1ccccc1
CCN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1cc(ccn1)[*:1] CCN(C(=O)CSc1nnc(n1-c1ccccc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCN(C(=O)CSc1nnc(-c2ccncc2)n1[*:1])[C@@H]1CCS(=O)(=O)C1
CCN(Cc1ccccc1[N-]S(=O)(=O)c1cccc2ncccc12)C(C)=O CCN(C[*:1])C(C)=O O=S(=O)([N-]c1ccccc1[*:1])c1cccc2ncccc12
CCN(Cc1ccccc1[N-]S(=O)(=O)c1cccc2ncccc12)C(C)=O CCN(C(C)=O)[*:1] O=S(=O)([N-]c1ccccc1C[*:1])c1cccc2ncccc12
COc1cc(OC)c2cc(C(=O)Nc3ccc(Oc4ccc5c(c4)OCO5)nc3)n(C)c2c1 c1cc2OCOc2cc1O[*:1] COc1cc(OC)c2cc(C(=O)Nc3ccc(nc3)[*:1])n(C)c2c1
COc1cc(OC)c2cc(C(=O)Nc3ccc(Oc4ccc5c(c4)OCO5)nc3)n(C)c2c1 c1cc2OCOc2cc1[*:1] COc1cc(OC)c2cc(C(=O)Nc3ccc(nc3)O[*:1])n(C)c2c1
CS(=O)(=O)N1CCC(C(=O)OCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)OCc1cn(nc1-c1ccc(Cl)cc1)[*:1]
CS(=O)(=O)N1CCC(C(=O)OCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)OCc1cn(nc1[*:1])-c1ccccc1
CS(=O)(=O)N1CCC(C(=O)OCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 CS(=O)(=O)N1CCC(CC1)[*:1] O=C(OCc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1)[*:1]
C[C@@H](Cn1cccn1)OC(=O)[C@H](C)N1CCc2ccccc2C1 c1cnn(c1)C[*:1] C[C@@H](C(=O)O[C@H](C)[*:1])N1CCc2ccccc2C1
C[C@@H](Cn1cccn1)OC(=O)[C@H](C)N1CCc2ccccc2C1 c1cnn(c1)[*:1] C[C@@H](C[*:1])OC(=O)[C@H](C)N1CCc2ccccc2C1
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc2cnccc12)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc2cnccc12)[*:1]
CCN(Cc1ccccc1NC(=O)N1CCOC(C)(C)C1)C(C)=O CCN(C[*:1])C(C)=O CC1(C)CN(CCO1)C(=O)Nc1ccccc1[*:1]
CCN(Cc1ccccc1NC(=O)N1CCOC(C)(C)C1)C(C)=O CCN(C(C)=O)[*:1] CC1(C)CN(CCO1)C(=O)Nc1ccccc1C[*:1]
CC(=O)c1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 O=C(OC1CCCCC1)[*:1] CC(=O)c1ccc(cc1)-n1c(N)c(c2nc3ccccc3nc21)[*:1]
CC(=O)c1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 C1CCC(CC1)[*:1] CC(=O)c1ccc(cc1)-n1c(N)c(C(=O)O[*:1])c2nc3ccccc3nc21
CC(=O)c1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 CC(=O)[*:1] Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc(cc1)[*:1]
CC(=O)c1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 CC(=O)c1ccc(cc1)[*:1] Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1[*:1]
NC1=NC(=O)N(C2CC2)[C@H]1c1cncn1C1CC1 C1CC1[*:1] NC1=NC(=O)N([C@H]1c1cncn1C1CC1)[*:1]
NC1=NC(=O)N(C2CC2)[C@H]1c1cncn1C1CC1 C1CC1[*:1] NC1=NC(=O)N(C2CC2)[C@H]1c1cncn1[*:1]
CC(C)c1cc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)on1 CC(C)[*:1] C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(no1)[*:1]
COc1ccc(NC(=O)CCNC(=O)[C@H]2C[C@H]2C)cc1-n1cnnn1 c1nnnn1[*:1] COc1ccc(cc1[*:1])NC(=O)CCNC(=O)[C@H]1C[C@H]1C
COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 COc1cc(ccc1O[*:1])CNc1ccc(C)cc1
COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] COc1cc(ccc1OC[*:1])CNc1ccc(C)cc1
COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)N1CCCC1 Cc1ccc(cc1)[*:1] COc1cc(ccc1OCC(=O)N1CCCC1)CN[*:1]
COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)N1CCCC1 Cc1ccc(cc1)N[*:1] COc1cc(ccc1OCC(=O)N1CCCC1)C[*:1]
Cc1[nH]ncc1CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 Cc1[nH]ncc1C[*:1] O=C(NCC[*:1])NCc1ccc(cc1)[N+](=O)[O-]
Cc1[nH]ncc1CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1[nH]ncc1CCCNC(=O)NCc1ccc(cc1)[*:1]
Cc1[nH]ncc1CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 Cc1[nH]ncc1[*:1] O=C(NCCC[*:1])NCc1ccc(cc1)[N+](=O)[O-]
CC(C)(C)CC(C)(C)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)(C)CC(C)(C)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)(C)CC(C)(C)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 CC(C)(C)[*:1] CC(C)(C[*:1])NC(=O)C1CCN(CC1)C(=O)c1cccc(F)c1
CC(C)(C)CC(C)(C)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 CC(C)(C)CC(C)(C)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccc(F)c1
CC(C)(C)CC(C)(C)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 CC(C)(C)C[*:1] CC(C)(NC(=O)C1CCN(CC1)C(=O)c1cccc(F)c1)[*:1]
Cc1cccc(NC2CC[NH+](Cc3c(C)nc4sc(C)cn34)CC2)c1 Cc1cccc(c1)N[*:1] Cc1cn2c(C[NH+]3CCC(CC3)[*:1])c(C)nc2s1
Cc1cccc(NC2CC[NH+](Cc3c(C)nc4sc(C)cn34)CC2)c1 Cc1cccc(c1)[*:1] Cc1cn2c(C[NH+]3CCC(CC3)N[*:1])c(C)nc2s1
S=C(Nc1cccnc1)N(Cc1ccccc1)C[C@H]1CCCO1 c1cncc(c1)[*:1] S=C(N[*:1])N(Cc1ccccc1)C[C@H]1CCCO1
S=C(Nc1cccnc1)N(Cc1ccccc1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] S=C(Nc1cccnc1)N(Cc1ccccc1)[*:1]
S=C(Nc1cccnc1)N(Cc1ccccc1)C[C@H]1CCCO1 c1ccc(cc1)C[*:1] S=C(Nc1cccnc1)N(C[C@H]1CCCO1)[*:1]
S=C(Nc1cccnc1)N(Cc1ccccc1)C[C@H]1CCCO1 c1ccc(cc1)[*:1] S=C(Nc1cccnc1)N(C[C@H]1CCCO1)C[*:1]
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC(C(N)=O)CC2)c1 NC(=O)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)C(=O)N1CCC(CC1)[*:1])N1CCCC1
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC(C(N)=O)CC2)c1 C1CCN(C1)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)C(=O)N1CCC(CC1)C(N)=O)[*:1]
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCC(C(N)=O)CC2)c1 CN(C)S(=O)(=O)[*:1] NC(=O)C1CCN(CC1)C(=O)c1cc(ccc1N1CCCC1)[*:1]
O=C(NC1CCCCC1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 C1CCC(CC1)[*:1] O=C(N[*:1])C1CN(C1)C(=O)c1ccc(o1)[N+](=O)[O-]
O=C(NC1CCCCC1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 O=[N+]([O-])[*:1] O=C(NC1CCCCC1)C1CN(C1)C(=O)c1ccc(o1)[*:1]
CCOc1ccc(C(=O)NCC(=O)N2CCC(c3nc(C)no3)CC2)cc1 CCO[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)CNC(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)NCC(=O)N2CCC(c3nc(C)no3)CC2)cc1 Cc1noc(n1)[*:1] CCOc1ccc(cc1)C(=O)NCC(=O)N1CCC(CC1)[*:1]
CCOc1ccc(C(=O)NCC(=O)N2CCC(c3nc(C)no3)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)CNC(=O)[*:1]
CCOc1ccc([C@@H]([NH3+])Cc2ccccc2)c(Br)c1 CCO[*:1] [NH3+][C@@H](Cc1ccccc1)c1ccc(cc1Br)[*:1]
CCOc1ccc([C@@H]([NH3+])Cc2ccccc2)c(Br)c1 c1ccc(cc1)[*:1] CCOc1ccc(c(Br)c1)[C@@H]([NH3+])C[*:1]
COC(=O)c1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 COC(=O)[*:1] O=C(Nc1nnc(s1)-c1ccccc1)c1cccc(c1)[*:1]
COC(=O)c1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 c1ccc(cc1)[*:1] COC(=O)c1cccc(c1)C(=O)Nc1nnc(s1)[*:1]
CC(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CC[C@@H](C)C[C@@H]1C
C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](Nc1ccc(cc1)N1CCCC1=O)C(=O)N[*:1]
C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(F)c1 O=C1CCCN1[*:1] C[C@@H](Nc1ccc(cc1)[*:1])C(=O)Nc1cccc(F)c1
CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1
CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@H]1C[C@H]1[*:1]
CCN(CC)C1=N[C@H](Cc2ccccc2)C(=O)N1c1ccc(C)cc1 c1ccc(cc1)[*:1] CCN(CC)C1=N[C@H](C[*:1])C(=O)N1c1ccc(C)cc1
CCN(CC)C1=N[C@H](Cc2ccccc2)C(=O)N1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(CC)C1=N[C@H](Cc2ccccc2)C(=O)N1[*:1]
CCN(CC)C1=N[C@H](Cc2ccccc2)C(=O)N1c1ccc(C)cc1 c1ccc(cc1)C[*:1] CCN(CC)C1=N[C@H](C(=O)N1c1ccc(C)cc1)[*:1]
CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccn(C)c3=O)ccc21 Cn1cccc(c1=O)[*:1] CCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)[*:1]
Cc1nc2ccccc2n(CCCNC(=O)c2ccccc2-n2cccn2)c1=O c1cnn(c1)[*:1] Cc1nc2ccccc2n(CCCNC(=O)c2ccccc2[*:1])c1=O
c1cc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc(OC2CCCC2)n1 C1CCC(C1)O[*:1] c1cc(cc(n1)[*:1])C[NH2+]C[C@@H]1CNc2ccnn2C1
c1cc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc(OC2CCCC2)n1 C1CCC(C1)[*:1] c1cc(cc(n1)O[*:1])C[NH2+]C[C@@H]1CNc2ccnn2C1
Cc1cccc(Oc2ccc(Cl)cc2NC(=O)Cn2cc[nH+]c2)c1 Cc1cccc(c1)O[*:1] O=C(Cn1cc[nH+]c1)Nc1cc(Cl)ccc1[*:1]
Cc1cccc(Oc2ccc(Cl)cc2NC(=O)Cn2cc[nH+]c2)c1 Cc1cccc(c1)[*:1] O=C(Cn1cc[nH+]c1)Nc1cc(Cl)ccc1O[*:1]
C=C(C)CSc1nc2ccccc2c(=O)n1C C=C(C)CS[*:1] Cn1c(nc2ccccc2c1=O)[*:1]
C=C(C)CSc1nc2ccccc2c(=O)n1C C=C(C)[*:1] Cn1c(nc2ccccc2c1=O)SC[*:1]
C=C(C)CSc1nc2ccccc2c(=O)n1C C=C(C)C[*:1] Cn1c(nc2ccccc2c1=O)S[*:1]
Cc1ccc(OC[C@@H](O)Cn2cnc3sc(C)cc3c2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cc2c(=O)n(cnc2s1)C[C@H](O)CO[*:1]
N#Cc1ccccc1OCC(=O)OCC(=O)NC1CC1 C1CC1[*:1] N#Cc1ccccc1OCC(=O)OCC(=O)N[*:1]
N#Cc1ccccc1OCC(=O)OCC(=O)NC1CC1 O=C(NC1CC1)[*:1] N#Cc1ccccc1OCC(=O)OC[*:1]
COc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1F c1ccc(cc1)N[*:1] COc1cccc(C(=O)Nc2ccc(cc2)[*:1])c1F
COc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1F c1ccc(cc1)[*:1] COc1cccc(C(=O)Nc2ccc(cc2)N[*:1])c1F
O=C(NCc1csc(-c2ccccc2)n1)c1cc(=O)c2ccccc2o1 c1ccc(cc1)[*:1] O=C(NCc1csc(n1)[*:1])c1cc(=O)c2ccccc2o1
COc1cc(F)ccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1cc(F)ccc1S(=O)(=O)N1CC[NH+](CC1)C[*:1]
COc1cc(F)ccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1cc(F)ccc1S(=O)(=O)N1CC[NH+](CC1)[*:1]
CCOCC1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CCOCC1CCN(CC1)C(=O)C(C)(C)[*:1]
CCOCC1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)CC1 CCOC[*:1] CC(C)(C(=O)N1CCC(CC1)[*:1])c1cccc(Cl)c1
CCOCC1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)CC1 CCO[*:1] CC(C)(C(=O)N1CCC(CC1)C[*:1])c1cccc(Cl)c1
C#CC[C@H](C)OC(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 C#CC[C@H](C)OC(=O)[*:1] O=S1(=O)N=C(c2ccccc21)N1CCC[C@@H]1[*:1]
C#CC[C@H](C)OC(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 C#CC[*:1] C[C@H](OC(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21)[*:1]
CC(C)=CCC[C@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 c1cc(ccn1)[*:1] CC(C)=CCC[C@H](C)[NH2+]C1CCN(CC1)[C@H](C)[*:1]
CC(C)=CCC[C@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 CC(C)=C[*:1] C[C@@H](CC[*:1])[NH2+]C1CCN(CC1)[C@H](C)c1ccncc1
CC(C)=CCC[C@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 CC(C)=CCC[*:1] C[C@H]([NH2+]C1CCN(CC1)[C@H](C)c1ccncc1)[*:1]
CC(C)=CCC[C@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 CC(C)=CC[*:1] C[C@@H](C[*:1])[NH2+]C1CCN(CC1)[C@H](C)c1ccncc1
COc1cc(OC)cc([C@@H]2CCN(C(=O)CCC3CC3)C2)c1 C1CC1CC[*:1] COc1cc(cc(c1)[C@@H]1CCN(C1)C(=O)[*:1])OC
COc1cc(OC)cc([C@@H]2CCN(C(=O)CCC3CC3)C2)c1 C1CC1[*:1] COc1cc(cc(c1)[C@@H]1CCN(C1)C(=O)CC[*:1])OC
COc1cc(OC)cc([C@@H]2CCN(C(=O)CCC3CC3)C2)c1 C1CC1C[*:1] COc1cc(cc(c1)[C@@H]1CCN(C1)C(=O)C[*:1])OC
Cc1ccc(NC(=O)CN2CCOC[C@@H]2C(N)=O)c(Cl)c1 NC(=O)[*:1] Cc1ccc(NC(=O)CN2CCOC[C@H]2[*:1])c(Cl)c1
CCC[C@@H]1[C@@H](C)CCCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 CCC[*:1] C[C@H]1CCCN(C(=O)CCCc2ccc3NC(=O)Cc3c2)[C@@H]1[*:1]
CS(=O)(=O)c1cc(C(=O)Oc2cccc(Cl)c2)ccc1Cl Clc1cccc(c1)[*:1] CS(=O)(=O)c1cc(ccc1Cl)C(=O)O[*:1]
CS(=O)(=O)c1cc(C(=O)Oc2cccc(Cl)c2)ccc1Cl CS(=O)(=O)[*:1] O=C(Oc1cccc(Cl)c1)c1ccc(Cl)c(c1)[*:1]
Cc1nc(C)c(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)s1 c1ccc(cc1)C[*:1] Cc1nc(C)c(s1)C(=O)N1CCC[C@@H]1C(=O)O[*:1]
Cc1nc(C)c(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)N1CCC[C@@H]1C(=O)OC[*:1]
Cc1nc(C)c(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)s1 Cc1nc(C)c(s1)[*:1] O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)[*:1]
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 CC(C)(C)C[*:1] O=C([C@@H]1CCCN1C(=O)[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 CC(C)(C)[*:1] O=C([C@@H]1CCCN1C(=O)C[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CCS[C@H]1CCCC[C@H]1NC(=O)c1occc1Br CCS[*:1] O=C(N[C@@H]1CCCC[C@@H]1[*:1])c1occc1Br
CCS[C@H]1CCCC[C@H]1NC(=O)c1occc1Br Brc1ccoc1[*:1] CCS[C@H]1CCCC[C@H]1NC(=O)[*:1]
CN1CC[C@@]2(CCC1=O)CN(C(=O)CCN(C)S(C)(=O)=O)CCN2C CN(S(C)(=O)=O)[*:1] CN1CC[C@@]2(CCC1=O)CN(CCN2C)C(=O)CC[*:1]
CN1CC[C@@]2(CCC1=O)CN(C(=O)CCN(C)S(C)(=O)=O)CCN2C CN(CC[*:1])S(C)(=O)=O CN1CC[C@@]2(CCC1=O)CN(CCN2C)C(=O)[*:1]
CN1CC[C@@]2(CCC1=O)CN(C(=O)CCN(C)S(C)(=O)=O)CCN2C CN(C[*:1])S(C)(=O)=O CN1CC[C@@]2(CCC1=O)CN(CCN2C)C(=O)C[*:1]
COc1ccc(CCC(=O)N2CCN(C(=O)c3oc(C)nc3C)CC2)cc1 Cc1nc(C)c(o1)[*:1] COc1ccc(cc1)CCC(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(CCC(=O)N2CCN(C(=O)c3oc(C)nc3C)CC2)cc1 COc1ccc(cc1)C[*:1] Cc1nc(C)c(o1)C(=O)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(CCC(=O)N2CCN(C(=O)c3oc(C)nc3C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)N1CCN(CC1)C(=O)CC[*:1]
CC(C)C[C@]1(C)OC[C@@H](C)O1 CC(C)[*:1] C[C@@H]1CO[C@@](C)(C[*:1])O1
O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N[C@@H]1CCOc2ccccc21 Clc1ccc(Cl)c(c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])N[C@@H]1CCOc2ccccc21
CC(C)CC1=C[C@@H](CN2CCN3NC(C(=O)NC4CC4)=C[C@@H]3C2)N=N1 C1CC1[*:1] CC(C)CC1=C[C@@H](CN2CCN3NC(=C[C@@H]3C2)C(=O)N[*:1])N=N1
CC(C)CC1=C[C@@H](CN2CCN3NC(C(=O)NC4CC4)=C[C@@H]3C2)N=N1 CC(C)C[*:1] O=C(NC1CC1)C1=C[C@@H]2CN(CCN2N1)C[C@@H]1C=C(N=N1)[*:1]
CC(C)CC1=C[C@@H](CN2CCN3NC(C(=O)NC4CC4)=C[C@@H]3C2)N=N1 CC(C)[*:1] O=C(NC1CC1)C1=C[C@@H]2CN(CCN2N1)C[C@@H]1C=C(C[*:1])N=N1
CC(C)CC1=C[C@@H](CN2CCN3NC(C(=O)NC4CC4)=C[C@@H]3C2)N=N1 O=C(NC1CC1)[*:1] CC(C)CC1=C[C@@H](CN2CCN3NC(=C[C@@H]3C2)[*:1])N=N1
CCC[NH2+][C@@H](Cc1cnn(C)c1)[C@@H]1CSCCS1 Cn1cc(cn1)[*:1] CCC[NH2+][C@@H](C[*:1])[C@@H]1CSCCS1
CCC[NH2+][C@@H](Cc1cnn(C)c1)[C@@H]1CSCCS1 CCC[*:1] Cn1cc(cn1)C[C@H]([NH2+][*:1])[C@@H]1CSCCS1
CCS(=O)(=O)N1CCN(CCn2cc[nH+]c2C(C)C)CC1 CC(C)[*:1] CCS(=O)(=O)N1CCN(CC1)CCn1cc[nH+]c1[*:1]
Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Br)c3)o2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nnc(o1)-c1cccc(Br)c1)N[*:1]
Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Br)c3)o2)c1 Brc1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)CSc1nnc(o1)[*:1]
CC(C)CC1([C@@H](O)[C@@H](C[NH3+])c2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)[*:1] CC(C)CC1(CCCC1)[C@@H](O)[C@@H](C[NH3+])[*:1]
CC(C)CC1([C@@H](O)[C@@H](C[NH3+])c2ccc(Cl)cc2)CCCC1 CC(C)[*:1] [NH3+]C[C@@H](c1ccc(Cl)cc1)[C@H](O)C1(CCCC1)C[*:1]
CC(C)CC1([C@@H](O)[C@@H](C[NH3+])c2ccc(Cl)cc2)CCCC1 CC(C)C[*:1] [NH3+]C[C@@H](c1ccc(Cl)cc1)[C@H](O)C1(CCCC1)[*:1]
CCC(=O)N1CCC([NH+](C)CC(C)(C)c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)[NH+](C)CC(C)(C)[*:1]
CC(=O)c1ccc(NC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1
Cc1ccc([C@@H](NC(=O)Cc2ccccc2Cl)C2CC2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)[C@@H](NC(=O)C[*:1])C1CC1
Cc1ccc([C@@H](NC(=O)Cc2ccccc2Cl)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](NC(=O)Cc1ccccc1Cl)[*:1]
Cc1ccc([C@@H](NC(=O)Cc2ccccc2Cl)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccccc1Cl)N[C@@H](C1CC1)[*:1]
COc1nn(C)c2nc(C)c(CCC(=O)O[C@H](C)c3nnc(C)o3)c(C)c12 Cc1nnc(o1)[*:1] COc1nn(C)c2nc(C)c(CCC(=O)O[C@H](C)[*:1])c(C)c12
CC(C)c1ocnc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 CN(C)[*:1] CC(C)c1ocnc1C(=O)NCC1CC[NH+](CC1)CC[*:1]
CC(C)c1ocnc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 CN(C)C[*:1] CC(C)c1ocnc1C(=O)NCC1CC[NH+](CC1)C[*:1]
CC(C)c1ocnc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 CN(C)CC[*:1] CC(C)c1ocnc1C(=O)NCC1CC[NH+](CC1)[*:1]
CC(C)c1ocnc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 CC(C)[*:1] CN(C)CC[NH+]1CCC(CC1)CNC(=O)c1ncoc1[*:1]
CNS(=O)(=O)c1cc(Cl)ccc1[S@@](=O)c1ccccc1C(=O)[O-] CNS(=O)(=O)[*:1] O=C([O-])c1ccccc1[S@](=O)c1ccc(Cl)cc1[*:1]
CNS(=O)(=O)c1cc(Cl)ccc1[S@@](=O)c1ccccc1C(=O)[O-] O=C([O-])[*:1] CNS(=O)(=O)c1cc(Cl)ccc1[S@@](=O)c1ccccc1[*:1]
CCN(Cc1cccc(C)c1)C(=O)N[C@@H](C)C(C)C CC(C)[*:1] CCN(Cc1cccc(C)c1)C(=O)N[C@@H](C)[*:1]
CCN(Cc1cccc(C)c1)C(=O)N[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCN(Cc1cccc(C)c1)C(=O)N[*:1]
CN(C)S(=O)(=O)N1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2F)CC1 NC(=O)N[*:1] CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C[C@@H](c1ccccc1F)[*:1]
CN(C)S(=O)(=O)N1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C[C@@H](NC(N)=O)[*:1]
CCN(C(=O)CN1[C@@H](C)COC[C@H]1C)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CN1[C@@H](C)COC[C@H]1C)[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCC2CCCCC2)c1 C1CCC(CC1)CC[*:1] COC(=O)c1ccc(Cl)c(c1)NC(=O)C(=O)N[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCC2CCCCC2)c1 C1CCC(CC1)C[*:1] COC(=O)c1ccc(Cl)c(c1)NC(=O)C(=O)NC[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCC2CCCCC2)c1 C1CCC(CC1)[*:1] COC(=O)c1ccc(Cl)c(c1)NC(=O)C(=O)NCC[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCC2CCCCC2)c1 COC(=O)[*:1] O=C(NCCC1CCCCC1)C(=O)Nc1cc(ccc1Cl)[*:1]
O=C([O-])[C@H](O)Cc1ccc(O)cc1 O=C([O-])[*:1] Oc1ccc(cc1)C[C@@H](O)[*:1]
C=CCN1C(=O)[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)[C@H]2C[C@]1(C)Oc1ccccc12 c1ccc(cc1)[*:1] C=CCN1C(=O)[C@H](C(=O)N(Cc2ccccc2)C[*:1])[C@H]2C[C@]1(C)Oc1ccccc12
C=CCN1C(=O)[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)[C@H]2C[C@]1(C)Oc1ccccc12 c1ccc(cc1)C[*:1] C=CCN1C(=O)[C@H](C(=O)N(Cc2ccccc2)[*:1])[C@H]2C[C@]1(C)Oc1ccccc12
C=CCN1C(=O)[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)[C@H]2C[C@]1(C)Oc1ccccc12 C=CC[*:1] C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)N2[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)NCCc1cccc2cccnc12 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NCCc1cccc2cccnc12)[*:1]
CC(C)[C@@H](SC[C@H](C)CO)C(=O)NC1CCCCCC1 C[C@H](CO)C[*:1] CC(C)[C@@H](S[*:1])C(=O)NC1CCCCCC1
CC(C)[C@@H](SC[C@H](C)CO)C(=O)NC1CCCCCC1 CC(C)[*:1] C[C@H](CO)CS[C@@H](C(=O)NC1CCCCCC1)[*:1]
CC(C)[C@@H](SC[C@H](C)CO)C(=O)NC1CCCCCC1 C[C@H](CO)[*:1] CC(C)[C@@H](SC[*:1])C(=O)NC1CCCCCC1
C[C@@H](CNC(=O)NNC(=O)c1ccccc1Cl)N(C)c1ccccc1 Clc1ccccc1[*:1] C[C@@H](CNC(=O)NNC(=O)[*:1])N(C)c1ccccc1
C[C@@H](CNC(=O)NNC(=O)c1ccccc1Cl)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@H](CNC(=O)NNC(=O)c1ccccc1Cl)[*:1]
C[C@@H](CNC(=O)NNC(=O)c1ccccc1Cl)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NNC(=O)c1ccccc1Cl)N(C)[*:1]
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCC(n3ccnn3)CC1)C2=O c1cn(nn1)[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@H](C)C(=O)N1CCC(CC1)[*:1]
COCCN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1=O COCC[*:1] O=C1CN(CCN1[*:1])S(=O)(=O)c1ccc(F)cc1F
COCCN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])S(=O)(=O)c1ccc(F)cc1F
CC(C)C[C@@H]([NH3+])c1nc2ccccc2n1C(C)C CC(C)[*:1] CC(C)C[C@@H]([NH3+])c1nc2ccccc2n1[*:1]
CC(C)C[C@@H]([NH3+])c1nc2ccccc2n1C(C)C CC(C)[*:1] CC(C)n1c(nc2ccccc21)[C@H]([NH3+])C[*:1]
CC(C)C[C@@H]([NH3+])c1nc2ccccc2n1C(C)C CC(C)C[*:1] CC(C)n1c(nc2ccccc21)[C@H]([NH3+])[*:1]
CNC(=O)c1cccc(CCNCc2cc(OC)c3c(c2)OCO3)c1 CNC(=O)[*:1] COc1cc(cc2OCOc12)CNCCc1cccc(c1)[*:1]
CCOC(=O)c1ccc(N2C=C(C#N)S(=O)(=O)c3c(F)cccc32)cc1 CCOC(=O)[*:1] N#CC1=CN(c2ccc(cc2)[*:1])c2cccc(F)c2S1(=O)=O
C[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)[*:1]
CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H]([NH3+])c1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H]([NH3+])[*:1]
Cc1cc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)no1 C1CCN(CC1)[*:1] Cc1cc(no1)NC(=O)Cn1cnc2nc(sc2c1=O)[*:1]
Cc1cc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)no1 Cc1cc(no1)[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCCCC1)N[*:1]
CCOc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)[C@H](C)S(=O)(=O)[*:1]
CCOc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2ccc(C)cc2)cc1 CCO[*:1] Cc1ccc(cc1)S(=O)(=O)[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C1CCC(F)(F)CC1 Oc1ccc(cc1)[*:1] C[C@@H](C[*:1])N(C)C(=O)C1CCC(F)(F)CC1
O=C(NC1CCCCCCC1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 C1CCCC(CCC1)[*:1] O=C(N[*:1])c1ccc(Cn2cc(cn2)[N+](=O)[O-])o1
O=C(NC1CCCCCCC1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 O=[N+]([O-])[*:1] O=C(NC1CCCCCCC1)c1ccc(Cn2cc(cn2)[*:1])o1
O=C(NC1CCCCCCC1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 O=[N+]([O-])c1cnn(c1)[*:1] O=C(NC1CCCCCCC1)c1ccc(C[*:1])o1
CC1(C)Cc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)c(O)c2O1 c1ccc2[nH]c(nc2c1)[*:1] CC1(C)Cc2ccc(C(=O)N3CCC[C@@H]3[*:1])c(O)c2O1
C[C@H](CN(C(=O)c1ccoc1)c1ccccc1)NC(=O)c1ccoc1 O=C(N[*:1])c1ccoc1 C[C@H](CN(C(=O)c1ccoc1)c1ccccc1)[*:1]
C[C@H](CN(C(=O)c1ccoc1)c1ccccc1)NC(=O)c1ccoc1 c1cc(co1)[*:1] C[C@H](CN(C(=O)[*:1])c1ccccc1)NC(=O)c1ccoc1
C[C@H](CN(C(=O)c1ccoc1)c1ccccc1)NC(=O)c1ccoc1 c1ccc(cc1)[*:1] C[C@H](CN(C(=O)c1ccoc1)[*:1])NC(=O)c1ccoc1
C[C@H](CN(C(=O)c1ccoc1)c1ccccc1)NC(=O)c1ccoc1 c1cc(co1)[*:1] C[C@H](CN(C(=O)c1ccoc1)c1ccccc1)NC(=O)[*:1]
CCN(C(=O)c1ccc(-n2nc(C)nc2C)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)c1ccc(cc1)-n1nc(C)nc1C)[*:1]
CCN(C(=O)c1ccc(-n2nc(C)nc2C)cc1)C1CCCCC1 Cc1nc(C)n(n1)[*:1] CCN(C(=O)c1ccc(cc1)[*:1])C1CCCCC1
Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3ccnc3)nc1)CC2 c1cn(cn1)[*:1] Fc1ccc2CC[C@H]([NH2+]Cc3ccc(nc3)[*:1])c2c1
CC[C@H](C)[C@H]1CN(Cc2cccc(C)n2)[C@H](C2CC2)C[NH2+]1 Cc1cccc(n1)[*:1] CC[C@H](C)[C@H]1CN(C[*:1])[C@@H](C[NH2+]1)C1CC1
CC[C@H](C)[C@H]1CN(Cc2cccc(C)n2)[C@H](C2CC2)C[NH2+]1 C1CC1[*:1] CC[C@H](C)[C@H]1CN(Cc2cccc(C)n2)[C@H](C[NH2+]1)[*:1]
CC[C@H](C)[C@H]1CN(Cc2cccc(C)n2)[C@H](C2CC2)C[NH2+]1 CC[C@H](C)[*:1] Cc1cccc(CN2C[C@@H]([NH2+]C[C@H]2C2CC2)[*:1])n1
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C1CC1)Nc1ccc(Br)cn1 O=[N+]([O-])[*:1] O=C(CSc1nnc(-c2ccc(cc2)[*:1])n1C1CC1)Nc1ccc(Br)cn1
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C1CC1)Nc1ccc(Br)cn1 C1CC1[*:1] O=C(CSc1nnc(-c2ccc(cc2)[N+](=O)[O-])n1[*:1])Nc1ccc(Br)cn1
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C1CC1)Nc1ccc(Br)cn1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])Nc1ccc(Br)cn1
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C1CC1)Nc1ccc(Br)cn1 Brc1ccc(nc1)[*:1] O=C(CSc1nnc(-c2ccc(cc2)[N+](=O)[O-])n1C1CC1)N[*:1]
c1ccc([C@H]2C[C@@H]2C[NH+]2CCN(C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)[C@H]1C[C@@H]1C[NH+]1CCN(CC1)C[C@@H]1C[C@H]1[*:1]
c1ccc([C@H]2C[C@@H]2C[NH+]2CCN(C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)[C@H]1C[C@H]1CN1CC[NH+](CC1)C[C@H]1C[C@@H]1[*:1]
CS(=O)(=O)c1ccccc1NC(=O)NNc1ccccc1Cl CS(=O)(=O)[*:1] O=C(NNc1ccccc1Cl)Nc1ccccc1[*:1]
CS(=O)(=O)c1ccccc1NC(=O)NNc1ccccc1Cl Clc1ccccc1[*:1] CS(=O)(=O)c1ccccc1NC(=O)NN[*:1]
Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)c1Cl Cc1cccc(c1Cl)[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)C(=O)N[*:1]
Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)c1Cl c1ccc(cc1)[*:1] Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(C2)[*:1])c1Cl
C[C@H]1CCCCN1C(=O)C(=O)NCC[NH3+] [NH3+]CC[*:1] C[C@H]1CCCCN1C(=O)C(=O)N[*:1]
COc1cccc([C@@H](C)CC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 COc1cccc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)C[C@H](C)[*:1]
COc1cccc([C@@H](C)CC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 CC(C)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)Nc1ccc(cc1)NC(=O)[*:1]
COc1cccc([C@@H](C)CC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 CC(C)C(=O)N[*:1] COc1cccc(c1)[C@@H](C)CC(=O)Nc1ccc(cc1)[*:1]
Cc1ccsc1CNC(=O)C[S@](=O)Cc1ccc(F)c(F)c1 Cc1ccsc1C[*:1] O=C(C[S@](=O)Cc1ccc(F)c(F)c1)N[*:1]
Cc1ccsc1CNC(=O)C[S@](=O)Cc1ccc(F)c(F)c1 Cc1ccsc1[*:1] O=C(C[S@](=O)Cc1ccc(F)c(F)c1)NC[*:1]
CC1=[N+](Cc2cccnc2)[C@H](C)[C@H](C2[NH+]=c3ccccc3=[NH+]2)C1 c1cncc(c1)C[*:1] CC1C[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](C)[N+]=1[*:1]
CC1=[N+](Cc2cccnc2)[C@H](C)[C@H](C2[NH+]=c3ccccc3=[NH+]2)C1 c1cncc(c1)[*:1] CC1C[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](C)[N+]=1C[*:1]
CC(C)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)c1cccc(Cl)c1 CC(C)[*:1] O=C(c1cccc(Cl)c1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1[*:1]
CC(C)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
C[C@H](C(=O)Nc1cccc2ccccc12)n1nnc(-c2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1cccc2ccccc12)n1nnc(n1)[*:1]
O=C(CCSCc1ccccn1)Nc1ccc2c(c1)COC2 c1ccc(nc1)[*:1] O=C(CCSC[*:1])Nc1ccc2COCc2c1
O=C(CCSCc1ccccn1)Nc1ccc2c(c1)COC2 c1ccc(C[*:1])nc1 O=C(CCS[*:1])Nc1ccc2COCc2c1
CCN(CCOC)C(=O)c1csc(C#CCN)c1 NCC#C[*:1] CCN(CCOC)C(=O)c1csc(c1)[*:1]
CCN(CCOC)C(=O)c1csc(C#CCN)c1 COC[*:1] CCN(C[*:1])C(=O)c1csc(C#CCN)c1
CCN(CCOC)C(=O)c1csc(C#CCN)c1 COCC[*:1] CCN(C(=O)c1csc(C#CCN)c1)[*:1]
CC(C)(C)Oc1cc(C(=O)NNC(=S)Nc2cccc(Cl)c2)ccn1 Clc1cccc(c1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NNC(=S)N[*:1]
CC(C)(C)Oc1cc(C(=O)NNC(=S)Nc2cccc(Cl)c2)ccn1 CC(C)(C)O[*:1] O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccnc(c1)[*:1]
CC(C)(C)Oc1cc(C(=O)NNC(=S)Nc2cccc(Cl)c2)ccn1 CC(C)(C)[*:1] O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccnc(c1)O[*:1]
Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NC[*:1])c1ccc2OCc3cnoc3-c2c1
Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)cc1 Cc1ccc(cc1)C[*:1] O=S(=O)(N[*:1])c1ccc2OCc3cnoc3-c2c1
O=C(NCCc1n[nH]c(-c2ccccc2)n1)c1cccc(F)c1 c1ccc(cc1)[*:1] O=C(NCCc1n[nH]c(n1)[*:1])c1cccc(F)c1
O=C(NCCc1n[nH]c(-c2ccccc2)n1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCc1n[nH]c(n1)-c1ccccc1)[*:1]
CC[C@@H](C)[C@H](C)Nc1nc2ccc(C)cc2s1 CC[C@@H](C)[*:1] Cc1ccc2nc(N[C@@H](C)[*:1])sc2c1
CC(C)OCC[NH+]1CCN(CC2=Cc3cc(Cl)ccc3OC2)CC1 CC(C)[*:1] Clc1ccc2OCC(=Cc2c1)CN1CC[NH+](CCO[*:1])CC1
CC(C)OCC[NH+]1CCN(CC2=Cc3cc(Cl)ccc3OC2)CC1 CC(C)O[*:1] Clc1ccc2OCC(=Cc2c1)CN1CC[NH+](CC1)CC[*:1]
CC(C)OCC[NH+]1CCN(CC2=Cc3cc(Cl)ccc3OC2)CC1 CC(C)OC[*:1] Clc1ccc2OCC(=Cc2c1)CN1CC[NH+](CC1)C[*:1]
CC(C)OCC[NH+]1CCN(CC2=Cc3cc(Cl)ccc3OC2)CC1 CC(C)OCC[*:1] Clc1ccc2OCC(=Cc2c1)CN1CC[NH+](CC1)[*:1]
O=C(C[C@@H](O)c1cccc(F)c1)NCCc1cccc([N+](=O)[O-])c1 Fc1cccc(c1)[*:1] O=C(C[C@@H](O)[*:1])NCCc1cccc(c1)[N+](=O)[O-]
O=C(C[C@@H](O)c1cccc(F)c1)NCCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(C[C@@H](O)c1cccc(F)c1)NCCc1cccc(c1)[*:1]
Cc1noc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2)c1C CN(C)[*:1] Cc1noc(-c2cnc(nc2-c2ccc(cc2)CNC(=O)[C@H]2C[C@H]2C)[*:1])c1C
Cc1noc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2)c1C Cc1noc(c1C)[*:1] C[C@@H]1C[C@@H]1C(=O)NCc1ccc(cc1)-c1nc(ncc1[*:1])N(C)C
O=C(Cc1ccccc1)OCCN1CCN(c2ncccc2Cl)CC1 c1ccc(cc1)C[*:1] O=C(OCCN1CCN(CC1)c1ncccc1Cl)[*:1]
O=C(Cc1ccccc1)OCCN1CCN(c2ncccc2Cl)CC1 Clc1cccnc1[*:1] O=C(Cc1ccccc1)OCCN1CCN(CC1)[*:1]
O=C(Cc1ccccc1)OCCN1CCN(c2ncccc2Cl)CC1 c1ccc(cc1)[*:1] O=C(C[*:1])OCCN1CCN(CC1)c1ncccc1Cl
CS(=O)(=O)c1cccc(OCCOc2ccc(C=O)cc2Cl)c1 CS(=O)(=O)[*:1] O=Cc1ccc(OCCOc2cccc(c2)[*:1])c(Cl)c1
COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 COc1ccc(cc1[*:1])C(C)=O CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C(=O)[C@@H]12)[*:1]
COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 CC(=O)[*:1] COc1ccc(cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(C)c2ccccc21)[*:1]
Cc1cc(C)c2c(C(=O)[O-])cc(-c3ccco3)nc2c1 c1coc(c1)[*:1] Cc1cc(C)c2c(cc(nc2c1)[*:1])C(=O)[O-]
Cc1cc(C)c2c(C(=O)[O-])cc(-c3ccco3)nc2c1 O=C([O-])[*:1] Cc1cc(C)c2c(cc(nc2c1)-c1ccco1)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c1 CC(C)(C)c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](C)Sc1nnc(n1N)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c1 CC(=O)[*:1] C[C@@H](Sc1nnc(-c2ccc(cc2)C(C)(C)C)n1N)C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c1 CC(C)(C)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(cc2)[*:1])n1N
CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c1 CC(=O)c1cccc(c1)[*:1] C[C@@H](Sc1nnc(-c2ccc(cc2)C(C)(C)C)n1N)C(=O)N[*:1]
CC[NH+]1CCN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3ccccc3)C2)CC1 c1snnc1[*:1] CC[NH+]1CCN(CC1)CC(=O)N1C[C@@H]([C@@H](C1)c1ccccc1)[*:1]
CC[NH+]1CCN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)CC(=O)N1C[C@@H](c2csnn2)[C@H](C1)[*:1]
CC1(C)O[C@H]2[C@H](CO)O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H]2O1 O=C(N[*:1])c1ccccc1 CC1(C)O[C@H]2[C@H](CO)O[C@H]([C@@H]2O1)n1ccc(nc1=O)[*:1]
CC1(C)O[C@H]2[C@H](CO)O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H]2O1 c1ccc(cc1)[*:1] CC1(C)O[C@H]2[C@H](CO)O[C@H]([C@@H]2O1)n1ccc(nc1=O)NC(=O)[*:1]
O=C(NCC1(O)CCCCC1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 OC1(CCCCC1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)NC1CCCC1
O=C(NCC1(O)CCCCC1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 OC1(CCCCC1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)NC1CCCC1
O=C(NCC1(O)CCCCC1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] O=C(NCC1(O)CCCCC1)[C@@H]1CCCN(C1)C(=O)N[*:1]
O=[N+]([O-])c1cn(C[C@H](O)COc2c(Cl)cccc2Cl)cn1 O=[N+]([O-])[*:1] O[C@H](COc1c(Cl)cccc1Cl)Cn1cnc(c1)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)CCN2C(=O)CCC2=O)n1 CC(C)[*:1] N#C[C@H](C(=O)CCN1C(=O)CCC1=O)c1nc(cs1)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)CCN2C(=O)CCC2=O)n1 O=C1CCC(=O)N1[*:1] CC(C)c1csc(n1)[C@H](C#N)C(=O)CC[*:1]
COc1c(F)cc(NC(=O)N2CCOC[C@H]2C2CC2)cc1F C1CC1[*:1] COc1c(F)cc(cc1F)NC(=O)N1CCOC[C@@H]1[*:1]
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(OCC(=O)[*:1])c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccc2c(c1)OCO2 O=C(c1ccc2OCOc2c1)[*:1] O=C(OC[*:1])c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Cc1ccc(-c2noc(C[NH+]3CCC(c4nnc5ccccn45)CC3)n2)cc1 Cc1ccc(cc1)[*:1] c1ccn2c(nnc2c1)C1CC[NH+](CC1)Cc1nc(no1)[*:1]
Cc1ccc(-c2noc(C[NH+]3CCC(c4nnc5ccccn45)CC3)n2)cc1 c1ccn2c(nnc2c1)[*:1] Cc1ccc(cc1)-c1noc(C[NH+]2CCC(CC2)[*:1])n1
C[C@H]1C[C@H]1[C@H](NC(=O)NCc1ccncc1)c1ccc(Cl)cc1 c1cc(ccn1)C[*:1] C[C@H]1C[C@H]1[C@H](NC(=O)N[*:1])c1ccc(Cl)cc1
C[C@H]1C[C@H]1[C@H](NC(=O)NCc1ccncc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]1C[C@H]1[C@H](NC(=O)NCc1ccncc1)[*:1]
C[C@H]1C[C@H]1[C@H](NC(=O)NCc1ccncc1)c1ccc(Cl)cc1 c1cc(ccn1)[*:1] C[C@H]1C[C@H]1[C@H](NC(=O)NC[*:1])c1ccc(Cl)cc1
O=C(CNc1cccc(-c2ccc(Cl)c(Cl)c2)c1)N[C@@H]1CCS(=O)(=O)C1 Clc1ccc(cc1Cl)[*:1] O=C(CNc1cccc(c1)[*:1])N[C@@H]1CCS(=O)(=O)C1
C[C@@H](CC(=O)Nc1cc(C#N)ccc1Cl)CC(C)(C)C CC(C)(C)[*:1] C[C@@H](CC(=O)Nc1cc(C#N)ccc1Cl)C[*:1]
C[C@@H](CC(=O)Nc1cc(C#N)ccc1Cl)CC(C)(C)C CC(C)(C)C[*:1] C[C@@H](CC(=O)Nc1cc(C#N)ccc1Cl)[*:1]
CC(C)=CCC[C@@]1(C)OC(=O)N(Cc2ccccn2)[C@]1(C)O CC(C)=CCC[*:1] C[C@]1(O)N(Cc2ccccn2)C(=O)O[C@@]1(C)[*:1]
CC(C)=CCC[C@@]1(C)OC(=O)N(Cc2ccccn2)[C@]1(C)O CC(C)=CC[*:1] C[C@]1(C[*:1])OC(=O)N(Cc2ccccn2)[C@]1(C)O
CC(C)=CCC[C@@]1(C)OC(=O)N(Cc2ccccn2)[C@]1(C)O c1ccc(nc1)[*:1] CC(C)=CCC[C@@]1(C)OC(=O)N(C[*:1])[C@]1(C)O
CC(C)=CCC[C@@]1(C)OC(=O)N(Cc2ccccn2)[C@]1(C)O c1ccc(C[*:1])nc1 CC(C)=CCC[C@@]1(C)OC(=O)N([C@]1(C)O)[*:1]
CC(C)=CCC[C@@]1(C)OC(=O)N(Cc2ccccn2)[C@]1(C)O CC(C)=C[*:1] C[C@]1(CC[*:1])OC(=O)N(Cc2ccccn2)[C@]1(C)O
COc1ccccc1NC1=NN(c2ccccc2)C(=O)C1 c1ccc(cc1)[*:1] COc1ccccc1NC1CC(=O)N(N=1)[*:1]
CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 c1ncn(n1)[*:1] CC(C)(C)C(=O)C(=Cc1cccc(c1)[N+](=O)[O-])[*:1]
CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 CC(C)(C)C(=O)[*:1] O=[N+]([O-])c1cccc(/C=C(/n2cncn2)[*:1])c1
CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 O=[N+]([O-])[*:1] CC(C)(C)C(=O)/C(=C\c1cccc(c1)[*:1])n1cncn1
CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 CC(C)(C)[*:1] O=C(/C(=C\c1cccc(c1)[N+](=O)[O-])n1cncn1)[*:1]
O=C(NCc1cccc(Cl)c1)[C@H]1c2ccccc2CCN1C(=O)C1CC1 C1CC1[*:1] O=C(NCc1cccc(Cl)c1)[C@H]1c2ccccc2CCN1C(=O)[*:1]
O=C(NCc1cccc(Cl)c1)[C@H]1c2ccccc2CCN1C(=O)C1CC1 Clc1cccc(c1)C[*:1] O=C(N[*:1])[C@H]1c2ccccc2CCN1C(=O)C1CC1
O=C(NCc1cccc(Cl)c1)[C@H]1c2ccccc2CCN1C(=O)C1CC1 Clc1cccc(c1)[*:1] O=C(NC[*:1])[C@H]1c2ccccc2CCN1C(=O)C1CC1
COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1cccc(Cl)c1 CC(=O)N[*:1] COc1cc(c(Cl)cc1C(=O)Nc1cccc(Cl)c1)[*:1]
COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1cc(NC(C)=O)c(Cl)cc1C(=O)N[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2c(C)noc2C(C)C)cc1 CC(=O)N[*:1] Cc1noc(c1C(=O)O[C@@H](C)C(=O)Nc1ccc(cc1)[*:1])C(C)C
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2c(C)noc2C(C)C)cc1 Cc1noc(c1[*:1])C(C)C CC(=O)Nc1ccc(cc1)NC(=O)[C@H](C)OC(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2c(C)noc2C(C)C)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@H](C)OC(=O)c1c(C)noc1[*:1]
Cc1ccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)N1C[C@@H](C)CCC[C@@H]1C
CN(C)C(=O)C[NH+](C)Cc1ccccc1 CN(C)C(=O)[*:1] C[NH+](Cc1ccccc1)C[*:1]
Cc1nn(CC(=O)N[C@@H](C)CCCO)c(C)c1N OCCC[*:1] Cc1nn(CC(=O)N[C@@H](C)[*:1])c(C)c1N
Cc1nn(CC(=O)N[C@@H](C)CCCO)c(C)c1N C[C@@H](CCCO)[*:1] Cc1nn(CC(=O)N[*:1])c(C)c1N
Cc1nn(CC(=O)N[C@@H](C)CCCO)c(C)c1N OCC[*:1] Cc1nn(CC(=O)N[C@@H](C)C[*:1])c(C)c1N
O=C(NCC(C1CC1)C1CC1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 C1CC1[*:1] O=C(NCC(C1CC1)[*:1])N1CCO[C@@H](C1)c1ccc(F)c(F)c1
O=C(NCC(C1CC1)C1CC1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=C(NCC(C1CC1)C1CC1)N1CCO[C@H](C1)[*:1]
O=C(NCC(C1CC1)C1CC1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 C1CC1C(C[*:1])C1CC1 O=C(N[*:1])N1CCO[C@@H](C1)c1ccc(F)c(F)c1
O=C(NCC(C1CC1)C1CC1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 C1CC1C(C1CC1)[*:1] O=C(NC[*:1])N1CCO[C@@H](C1)c1ccc(F)c(F)c1
C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)NC(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CC(C)(C)C[C@](CO)(C1)[NH2+]CC(=O)NC(=O)N[*:1]
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(OCC)c1 c1cc2OCOc2cc1[*:1] CCOc1ccc(/C=C(/C#N)c2nc(cs2)[*:1])c(c1)OCC
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(OCC)c1 CCO[*:1] CCOc1ccc(/C=C(/C#N)c2nc(cs2)-c2ccc3OCOc3c2)c(c1)[*:1]
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(OCC)c1 CCO[*:1] CCOc1cc(ccc1/C=C(/C#N)c1nc(cs1)-c1ccc2OCOc2c1)[*:1]
C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(C1=O)[*:1]
C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(CC(F)(F)F)C1=O C[C@@H](CC#N)S[*:1] O=C1[C@@H](CCN1CC(F)(F)F)Nc1ccccc1[*:1]
C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(C[*:1])C1=O
C[C@@H](CC#N)Sc1ccccc1N[C@@H]1CCN(CC(F)(F)F)C1=O N#CC[*:1] C[C@@H](Sc1ccccc1N[C@@H]1CCN(CC(F)(F)F)C1=O)[*:1]
O=C(N[C@@H](CO)c1ccccc1F)c1cc(=O)[nH]c2cc(F)ccc12 Fc1ccccc1[*:1] O=C(N[C@@H](CO)[*:1])c1cc(=O)[nH]c2cc(F)ccc12
CCOC[C@H]1CCN(C(=O)COc2ccccc2Cl)C1 CCOC[*:1] O=C(COc1ccccc1Cl)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)COc2ccccc2Cl)C1 CCO[*:1] O=C(COc1ccccc1Cl)N1CC[C@@H](C1)C[*:1]
Cc1c(C(=O)N2CCc3c(sc(N)c3C#N)C2)cnn1CCC(C)C CC(C)C[*:1] Cc1c(cnn1C[*:1])C(=O)N1CCc2c(C1)sc(N)c2C#N
Cc1c(C(=O)N2CCc3c(sc(N)c3C#N)C2)cnn1CCC(C)C CC(C)[*:1] Cc1c(cnn1CC[*:1])C(=O)N1CCc2c(C1)sc(N)c2C#N
Cc1c(C(=O)N2CCc3c(sc(N)c3C#N)C2)cnn1CCC(C)C CC(C)CC[*:1] Cc1c(cnn1[*:1])C(=O)N1CCc2c(C1)sc(N)c2C#N
O=C1NCCN(C(=O)CCc2ccc(Cl)cc2)[C@H]1Cc1cccc(-c2cccnc2)c1 Clc1ccc(cc1)CC[*:1] O=C1NCCN(C(=O)[*:1])[C@H]1Cc1cccc(c1)-c1cccnc1
O=C1NCCN(C(=O)CCc2ccc(Cl)cc2)[C@H]1Cc1cccc(-c2cccnc2)c1 Clc1ccc(cc1)C[*:1] O=C1NCCN(C(=O)C[*:1])[C@H]1Cc1cccc(c1)-c1cccnc1
O=C1NCCN(C(=O)CCc2ccc(Cl)cc2)[C@H]1Cc1cccc(-c2cccnc2)c1 c1cncc(c1)[*:1] O=C1NCCN(C(=O)CCc2ccc(Cl)cc2)[C@H]1Cc1cccc(c1)[*:1]
O=C1NCCN(C(=O)CCc2ccc(Cl)cc2)[C@H]1Cc1cccc(-c2cccnc2)c1 Clc1ccc(cc1)[*:1] O=C1NCCN(C(=O)CC[*:1])[C@H]1Cc1cccc(c1)-c1cccnc1
CC[C@H](C)c1ccccc1OC(=O)c1ccc(CNC(C)=O)cc1 CC[C@H](C)[*:1] CC(=O)NCc1ccc(cc1)C(=O)Oc1ccccc1[*:1]
CC[C@H](C)c1ccccc1OC(=O)c1ccc(CNC(C)=O)cc1 CC(=O)NC[*:1] CC[C@H](C)c1ccccc1OC(=O)c1ccc(cc1)[*:1]
CC[C@H](C)c1ccccc1OC(=O)c1ccc(CNC(C)=O)cc1 CC(=O)N[*:1] CC[C@H](C)c1ccccc1OC(=O)c1ccc(cc1)C[*:1]
Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@@H](C)[*:1]
CC[C@@H]([NH2+][C@H]1CC(=O)N(CC(F)(F)F)C1)c1cc(C)ccc1OC FC(F)(F)C[*:1] CC[C@@H]([NH2+][C@H]1CC(=O)N(C1)[*:1])c1cc(C)ccc1OC
CC[C@@H]([NH2+][C@H]1CC(=O)N(CC(F)(F)F)C1)c1cc(C)ccc1OC FC(F)(F)[*:1] CC[C@@H]([NH2+][C@H]1CC(=O)N(C1)C[*:1])c1cc(C)ccc1OC
C[C@@H](O)CNC(=O)[C@H]1NC(C2=C[C@H]3N=CC=C3C=C2)=NO1 C[C@@H](O)CNC(=O)[*:1] C1=CC2=CC=N[C@@H]2C=C1C1=NO[C@H](N1)[*:1]
C[C@@H](O)CNC(=O)[C@H]1NC(C2=C[C@H]3N=CC=C3C=C2)=NO1 C[C@@H](O)[*:1] O=C(NC[*:1])[C@H]1NC(=NO1)C1C=CC2=CC=N[C@@H]2C=1
C[C@@H](O)CNC(=O)[C@H]1NC(C2=C[C@H]3N=CC=C3C=C2)=NO1 C[C@@H](O)C[*:1] O=C(N[*:1])[C@H]1NC(=NO1)C1C=CC2=CC=N[C@@H]2C=1
O=C([O-])CC[C@H](NC(=O)c1ccc(I)cc1)C(=O)[O-] O=C([O-])[*:1] O=C(N[C@@H](CC[*:1])C(=O)[O-])c1ccc(I)cc1
O=C([O-])CC[C@H](NC(=O)c1ccc(I)cc1)C(=O)[O-] O=C([O-])CC[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1ccc(I)cc1
O=C([O-])CC[C@H](NC(=O)c1ccc(I)cc1)C(=O)[O-] O=C([O-])C[*:1] O=C(N[C@@H](C[*:1])C(=O)[O-])c1ccc(I)cc1
O=C([O-])CC[C@H](NC(=O)c1ccc(I)cc1)C(=O)[O-] O=C([O-])[*:1] O=C([O-])CC[C@H](NC(=O)c1ccc(I)cc1)[*:1]
CCC[C@@H]1CCC(=O)[C@@H]([C@@H]2CCO[C@]3(CCSC3)C2)C1 CCC[*:1] O=C1CC[C@H](C[C@@H]1[C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
NC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(-n2cccn2)c1 NC(=O)C[*:1] O=C(c1cccc(c1)-n1cccn1)N(Cc1ccccc1)C[*:1]
NC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(-n2cccn2)c1 c1ccc(cc1)C[*:1] NC(=O)CCN(C(=O)c1cccc(c1)-n1cccn1)[*:1]
NC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(-n2cccn2)c1 NC(=O)[*:1] O=C(c1cccc(c1)-n1cccn1)N(CC[*:1])Cc1ccccc1
NC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(-n2cccn2)c1 NC(=O)CC[*:1] O=C(c1cccc(c1)-n1cccn1)N(Cc1ccccc1)[*:1]
NC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] NC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(c1)[*:1]
NC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(-n2cccn2)c1 c1ccc(cc1)[*:1] NC(=O)CCN(C[*:1])C(=O)c1cccc(c1)-n1cccn1
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CC=CCC1 O=S(=O)(N1CCCC1)[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@H]1CC=CCC1
C[C@@H]1CCN(C(=O)CN2CCOCC2)c2ccccc2S1 C1CN(CCO1)C[*:1] C[C@@H]1CCN(C(=O)[*:1])c2ccccc2S1
C[C@@H]1CCN(C(=O)CN2CCOCC2)c2ccccc2S1 C1CN(CCO1)[*:1] C[C@@H]1CCN(C(=O)C[*:1])c2ccccc2S1
CC[C@H](C)[C@@](C)([NH3+])[C@@H]1CCOC2(CCOCC2)C1 CC[C@H](C)[*:1] C[C@@]([NH3+])([C@@H]1CCOC2(CCOCC2)C1)[*:1]
O=S(=O)(c1ccc(NCc2ccccn2)nn1)C1CCCCC1 C1CCC(CC1)[*:1] O=S(=O)(c1ccc(nn1)NCc1ccccn1)[*:1]
O=S(=O)(c1ccc(NCc2ccccn2)nn1)C1CCCCC1 c1ccc(nc1)[*:1] O=S(=O)(c1ccc(nn1)NC[*:1])C1CCCCC1
O=S(=O)(c1ccc(NCc2ccccn2)nn1)C1CCCCC1 c1ccc(C[*:1])nc1 O=S(=O)(c1ccc(nn1)N[*:1])C1CCCCC1
FC(F)(F)c1cccc(-c2noc(CCCl)n2)c1 ClCC[*:1] FC(F)(F)c1cccc(c1)-c1noc(n1)[*:1]
FC(F)(F)c1cccc(-c2noc(CCCl)n2)c1 FC(F)(F)[*:1] ClCCc1nc(no1)-c1cccc(c1)[*:1]
COc1ccc([C@@H](CNS(=O)(=O)c2cc(Br)ccc2F)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](N1CCOCC1)[*:1])c1cc(Br)ccc1F
COc1ccc([C@@H](CNS(=O)(=O)c2cc(Br)ccc2F)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H](CNS(=O)(=O)c1cc(Br)ccc1F)[*:1]
COc1ccc([C@@H](CNS(=O)(=O)c2cc(Br)ccc2F)N2CCOCC2)cc1 Fc1ccc(Br)cc1[*:1] COc1ccc(cc1)[C@@H](CNS(=O)(=O)[*:1])N1CCOCC1
COc1ccc(NC(=O)[C@H](C)Nc2ccccc2OC)c(OC)c1 COc1ccccc1[*:1] COc1ccc(NC(=O)[C@H](C)N[*:1])c(c1)OC
O=C(NCc1ncc[nH]1)Nc1cc(F)c(I)c(F)c1 c1c[nH]c(n1)[*:1] O=C(NC[*:1])Nc1cc(F)c(I)c(F)c1
O=C(NCc1ncc[nH]1)Nc1cc(F)c(I)c(F)c1 c1c[nH]c(C[*:1])n1 O=C(Nc1cc(F)c(I)c(F)c1)N[*:1]
CCOCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 CCOCC[*:1] CN(C(=O)C(=O)Nc1ccc(nc1)C(F)(F)F)[*:1]
CCOCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 FC(F)(F)[*:1] CCOCCN(C)C(=O)C(=O)Nc1ccc(nc1)[*:1]
CCOCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 CCOC[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc(nc1)C(F)(F)F
CCOCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 CCO[*:1] CN(CC[*:1])C(=O)C(=O)Nc1ccc(nc1)C(F)(F)F
CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O c1ccc(cc1)[*:1] CCn1c2NC3=C(C(=O)c4ccccc43)[C@@H](c2c(=O)[nH]c1=O)[*:1]
CN(CC[NH+]1CCCC1)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(CC[NH+]1CCCC1)[C@@H](C(=O)Nc1ccccc1)[*:1]
CN(CC[NH+]1CCCC1)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(CC[NH+]1CCCC1)[C@@H](C(=O)N[*:1])c1ccccc1
Cc1nsc(N(C)C(=O)c2ccc(=O)n(C)n2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(c1[*:1])N(C)C(=O)c1ccc(=O)n(C)n1
CCSc1nnc(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)s1 CCS[*:1] CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(s2)[*:1])c1C
CCSc1nnc(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)s1 CC(=O)[*:1] CCSc1nnc(SCC(=O)c2[nH]c(C)c(c2C)[*:1])s1
CC(C)n1nccc1NC(=O)N[C@@H]1CCOc2ccccc21 CC(C)[*:1] O=C(Nc1ccnn1[*:1])N[C@@H]1CCOc2ccccc21
N#Cc1nncn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] N#Cc1nncn1Cc1nc(no1)-c1cccc(c1)[*:1]
N#Cc1nncn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 N#Cc1nncn1[*:1] FC(F)(F)c1cccc(c1)-c1noc(C[*:1])n1
O=C(NCc1ccc2c(c1)OCO2)c1cc2cc(C3(O)CC[NH+](Cc4cccs4)CC3)ccc2o1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1cc2cc(ccc2o1)C1(O)CC[NH+](CC1)Cc1cccs1
O=C(NCc1ccc2c(c1)OCO2)c1cc2cc(C3(O)CC[NH+](Cc4cccs4)CC3)ccc2o1 c1csc(c1)[*:1] O=C(NCc1ccc2OCOc2c1)c1cc2cc(ccc2o1)C1(O)CC[NH+](CC1)C[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1cc2cc(C3(O)CC[NH+](Cc4cccs4)CC3)ccc2o1 c1cc2OCOc2cc1C[*:1] O=C(N[*:1])c1cc2cc(ccc2o1)C1(O)CC[NH+](CC1)Cc1cccs1
Cc1cc(C)n2nc(C)c(C(=O)N[C@H](C)c3cc(C)sc3C)c2n1 Cc1cc(c(C)s1)[*:1] Cc1cc(C)n2nc(C)c(C(=O)N[C@H](C)[*:1])c2n1
CCCn1cc(NC(=O)Cc2c(C)nn(C)c2C)cn1 CCC[*:1] Cc1nn(C)c(C)c1CC(=O)Nc1cnn(c1)[*:1]
CCNC(=O)NC(=O)CN(Cc1nc2ccccc2c(=O)[nH]1)C(C)C CCNC(=O)NC(=O)[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C[*:1]
CCNC(=O)NC(=O)CN(Cc1nc2ccccc2c(=O)[nH]1)C(C)C CC(C)[*:1] CCNC(=O)NC(=O)CN(Cc1nc2ccccc2c(=O)[nH]1)[*:1]
CCOc1ccccc1C(=O)NCC(=O)NCc1nc(C)sc1C Cc1nc(C[*:1])c(C)s1 CCOc1ccccc1C(=O)NCC(=O)N[*:1]
CCOc1ccccc1C(=O)NCC(=O)NCc1nc(C)sc1C Cc1nc(c(C)s1)[*:1] CCOc1ccccc1C(=O)NCC(=O)NC[*:1]
CCOc1ccccc1C(=O)NCC(=O)NCc1nc(C)sc1C CCO[*:1] Cc1nc(CNC(=O)CNC(=O)c2ccccc2[*:1])c(C)s1
CC1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)CC1 CN(C)C(=O)[*:1] CC1CCN(CC1)C(=O)C(=O)Nc1cc(Cl)ccc1[*:1]
Cc1ccc([C@@H](C)CN[C@@H](C)c2cnc3cc(C)nn3c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)NC[C@H](C)[*:1]
CC(C)c1cc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)on1 CC(C)[*:1] O=C(NCc1cc(no1)[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
CC(C)c1cc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)on1 CC(C)c1cc(on1)[*:1] O=C(NC[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
CC(C)c1cc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)on1 O=[N+]([O-])[*:1] CC(C)c1cc(CNC(=O)N2CCc3ccc(cc3C2)[*:1])on1
C[C@@H](NC(=O)C#Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C#C[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@@H](NC(=O)C#Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)C#Cc1ccccc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NNC(=O)c1ccccc1Br Brc1ccccc1[*:1] C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NNC(=O)[*:1]
CCN(C(=O)CSc1ccc(F)cc1N)C1CC1 C1CC1[*:1] CCN(C(=O)CSc1ccc(F)cc1N)[*:1]
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1cnc(s1)[*:1]
Cc1ccc(O)c(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(O)c(c1)NC(=O)[C@@H]1CCCN1C(=O)OC[*:1]
Cc1ccc(O)c(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1 FC(F)(F)C[*:1] Cc1ccc(O)c(c1)NC(=O)[C@@H]1CCCN1C(=O)O[*:1]
Cc1ccc(O)c(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1 Cc1ccc(O)c(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)OCC(F)(F)F
CCC(CC)[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)[NH+]1CCCC1 CCC(CC)[*:1] Cn1c(NC[C@H]([NH+]2CCCC2)[*:1])c(C#N)c(=O)n(C)c1=O
CC(C)C[C@H](C#N)NC(=O)Cc1ccc(Cl)cc1 CC(C)C[*:1] N#C[C@H](NC(=O)Cc1ccc(Cl)cc1)[*:1]
CC(C)C[C@H](C#N)NC(=O)Cc1ccc(Cl)cc1 CC(C)[*:1] N#C[C@@H](C[*:1])NC(=O)Cc1ccc(Cl)cc1
O=C(NCc1ccc(Cl)nc1)NC[C@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] O=C(NCc1ccc(Cl)nc1)NC[C@H]([NH+]1CCCC1)[*:1]
O=C(NCc1ccc(Cl)nc1)NC[C@H](c1ccco1)[NH+]1CCCC1 Clc1ccc(cn1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[*:1]
O=C(NCc1ccc(Cl)nc1)NC[C@H](c1ccco1)[NH+]1CCCC1 Clc1ccc(cn1)C[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[*:1]
C[C@H](CC#N)N(C)C(=O)c1cccc(-c2ccoc2)c1 N#CC[*:1] C[C@H](N(C)C(=O)c1cccc(c1)-c1ccoc1)[*:1]
C[C@H](CC#N)N(C)C(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] C[C@H](CC#N)N(C)C(=O)c1cccc(c1)[*:1]
CC[C@@H]1CC[C@](C#N)([C@](C)(O)c2sccc2C)C1 Cc1ccsc1[*:1] CC[C@@H]1CC[C@@](C#N)(C1)[C@](C)(O)[*:1]
CCCNc1ncc(CSc2nnc(N(C)C)s2)s1 CCC[*:1] CN(C)c1nnc(SCc2cnc(N[*:1])s2)s1
CCCNc1ncc(CSc2nnc(N(C)C)s2)s1 CN(C)[*:1] CCCNc1ncc(CSc2nnc(s2)[*:1])s1
CCCNc1ncc(CSc2nnc(N(C)C)s2)s1 CCCN[*:1] CN(C)c1nnc(SCc2cnc(s2)[*:1])s1
Cc1cc2ncc([C@H](C)NCc3csc(-c4ccccc4)n3)c(C)n2n1 c1ccc(cc1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)NCc1csc(n1)[*:1]
COC(=O)CS(=O)(=O)Cn1nc(C)c([N+](=O)[O-])c1C COC(=O)[*:1] Cc1nn(CS(=O)(=O)C[*:1])c(C)c1[N+](=O)[O-]
COC(=O)CS(=O)(=O)Cn1nc(C)c([N+](=O)[O-])c1C COC(=O)C[*:1] Cc1nn(CS(=O)(=O)[*:1])c(C)c1[N+](=O)[O-]
COC(=O)CS(=O)(=O)Cn1nc(C)c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] COC(=O)CS(=O)(=O)Cn1nc(C)c(c1C)[*:1]
Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2cc(C)ccc2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(C)c(c1)C(=O)[C@H](C)Sc1nnnn1[*:1]
Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2cc(C)ccc2C)c(C)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(c(C)c1)-n1nnnc1S[C@@H](C)C(=O)[*:1]
C[C@@H](Oc1cccc(Cl)c1)c1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] C[C@@H](Oc1cccc(Cl)c1)c1nc(no1)[*:1]
C[C@@H](Oc1cccc(Cl)c1)c1nc(-c2ccncc2)no1 Clc1cccc(c1)[*:1] C[C@@H](O[*:1])c1nc(no1)-c1ccncc1
O=C(NCCCn1ncc2c(Cl)cccc21)C1CCC1 C1CC(C1)[*:1] O=C(NCCCn1ncc2c(Cl)cccc21)[*:1]
C[NH+](CCOc1ccccc1Br)CC1CCOCC1 C1CC(CCO1)[*:1] C[NH+](CCOc1ccccc1Br)C[*:1]
Cc1ncsc1[C@H](C)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ncsc1[C@H](C)N[C@@H]1CCC[C@H]1[*:1]
Cc1ncsc1[C@H](C)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 Cc1ncsc1[*:1] C[C@H](N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)[*:1]
C[C@@H](CN[C@@H](C)c1nc2cc(Cl)ccc2n1C)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CN[C@@H](C)c1nc2cc(Cl)ccc2n1C)C[*:1]
C[C@@H](CN[C@@H](C)c1nc2cc(Cl)ccc2n1C)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@H](NC[C@H](C)[*:1])c1nc2cc(Cl)ccc2n1C
COCCC1(C(=O)N2C[C@H]3CC[C@@H]2C3)CCC1 COC[*:1] O=C(N1C[C@H]2CC[C@@H]1C2)C1(CCC1)C[*:1]
COCCC1(C(=O)N2C[C@H]3CC[C@@H]2C3)CCC1 COCC[*:1] O=C(N1C[C@H]2CC[C@@H]1C2)C1(CCC1)[*:1]
N#Cc1cnn(CCSc2nnc([C@@H]3COc4ccccc4O3)o2)c1 N#Cc1cnn(c1)C[*:1] c1ccc2O[C@@H](COc2c1)c1nnc(o1)SC[*:1]
N#Cc1cnn(CCSc2nnc([C@@H]3COc4ccccc4O3)o2)c1 N#Cc1cnn(c1)[*:1] c1ccc2O[C@@H](COc2c1)c1nnc(o1)SCC[*:1]
O=c1cc(C(F)(F)F)[nH]n1-c1ccc(F)cc1 FC(F)(F)[*:1] O=c1cc([nH]n1-c1ccc(F)cc1)[*:1]
COc1ccc(NC(=O)Cc2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)C[*:1]
O=C1c2ccccc2N[C@@H](c2cnn(Cc3ccccc3)c2)N1c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C1c2ccccc2N[C@@H](c2cnn(c2)C[*:1])N1c1ccc(F)cc1
O=C1c2ccccc2N[C@@H](c2cnn(Cc3ccccc3)c2)N1c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C1c2ccccc2N[C@@H](c2cnn(c2)[*:1])N1c1ccc(F)cc1
O=C1c2ccccc2N[C@@H](c2cnn(Cc3ccccc3)c2)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@@H](c2cnn(c2)Cc2ccccc2)N1[*:1]
CCOc1ccc2nc(NC(=O)Cn3nc(C)ccc3=O)sc2c1 CCO[*:1] Cc1ccc(=O)n(CC(=O)Nc2nc3ccc(cc3s2)[*:1])n1
CCOc1ccc2nc(NC(=O)Cn3nc(C)ccc3=O)sc2c1 Cc1ccc(=O)n(n1)[*:1] CCOc1ccc2nc(NC(=O)C[*:1])sc2c1
C[C@H](O)C[C@@H]1CCCCN1C(=O)NC1CC1 C[C@H](O)C[*:1] O=C(NC1CC1)N1CCCC[C@H]1[*:1]
C[C@H](O)C[C@@H]1CCCCN1C(=O)NC1CC1 C[C@H](O)[*:1] O=C(NC1CC1)N1CCCC[C@H]1C[*:1]
C[C@H](O)C[C@@H]1CCCCN1C(=O)NC1CC1 C1CC1[*:1] C[C@H](O)C[C@@H]1CCCCN1C(=O)N[*:1]
C[NH+]1CCN(C(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] C[NH+]1CCN(CC1)C(=O)CNc1ccc(cc1[N+](=O)[O-])[*:1]
C[NH+]1CCN(C(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)C(=O)CNc1ccc(cc1[*:1])C(F)(F)F
Cc1ccc([C@H]2CC(=O)c3cnc(Nc4ccccc4)nc3C2)cc1 c1ccc(cc1)N[*:1] Cc1ccc(cc1)[C@H]1CC(=O)c2cnc(nc2C1)[*:1]
Cc1ccc([C@H]2CC(=O)c3cnc(Nc4ccccc4)nc3C2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1CC(=O)c2cnc(nc2C1)N[*:1]
Cc1ccc([C@H]2CC(=O)c3cnc(Nc4ccccc4)nc3C2)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](Cc2nc(ncc21)Nc1ccccc1)[*:1]
O=C(NCCN1CCOCC1)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 Clc1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)c1ccc(cc1)-n1cc(cn1)[*:1]
O=C(NCCN1CCOCC1)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 C1CN(CCO1)C[*:1] O=C(NC[*:1])c1ccc(cc1)-n1cc(cn1)-c1ccc(Cl)cc1
O=C(NCCN1CCOCC1)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 C1CN(CCO1)CC[*:1] O=C(N[*:1])c1ccc(cc1)-n1cc(cn1)-c1ccc(Cl)cc1
O=C(NCCN1CCOCC1)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 C1CN(CCO1)[*:1] O=C(NCC[*:1])c1ccc(cc1)-n1cc(cn1)-c1ccc(Cl)cc1
Cc1cnc(NC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)s1 Cc1cnc(NC(=O)[*:1])s1 C[C@H](N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)[*:1]
Cc1cnc(NC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)s1 Cc1cnc(s1)[*:1] C[C@@H](C(=O)N[*:1])N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2
COc1ccc(-n2ncc(C#N)c2NC(=O)c2cc(C3CC3)nc3c2cnn3C)cc1 COc1ccc(cc1)[*:1] Cn1ncc2c(cc(nc21)C1CC1)C(=O)Nc1c(C#N)cnn1[*:1]
COc1ccc(-n2ncc(C#N)c2NC(=O)c2cc(C3CC3)nc3c2cnn3C)cc1 C1CC1[*:1] COc1ccc(cc1)-n1ncc(C#N)c1NC(=O)c1cc(nc2c1cnn2C)[*:1]
Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(Nc1ccccc1OCC(F)(F)F)[*:1]
Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)o1 FC(F)(F)CO[*:1] Cc1cc(C(=O)Nc2ccccc2[*:1])c(C)o1
Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)o1 FC(F)(F)[*:1] Cc1cc(C(=O)Nc2ccccc2OC[*:1])c(C)o1
Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)o1 FC(F)(F)C[*:1] Cc1cc(C(=O)Nc2ccccc2O[*:1])c(C)o1
Cc1cccn2cc(C[S@@](=O)[C@H](C)c3nc(-c4ccccc4)no3)nc12 c1ccc(cc1)[*:1] Cc1cccn2cc(C[S@@](=O)[C@H](C)c3nc(no3)[*:1])nc12
Cc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3C)c1[*:1]
COC(=O)c1ccc(N[C@@H](C)C[C@@H]2CCCC[NH2+]2)cc1 COC(=O)[*:1] C[C@@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc(cc1)[*:1]
C[NH+](C)Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)o1 C[NH+](C)Cc1ccc(o1)[*:1] O=C(N1CC[NH+](CC1)[C@H]1CCc2ccccc2C1)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)-c1nnc(o1)SCC(=O)N[C@@](C)(C#N)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 CC(C)(C)[*:1] CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(o1)-c1ccc(cc1)[*:1]
CCc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] CCc1ccc(cc1)CN1CCN(CC1)C(=O)[*:1]
CCc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(c1ccccc1F)N1CCN(CC1)C[*:1]
CC(C)c1cccc2c1OCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 CC(C)[*:1] O=[N+]([O-])c1ccc(cc1)C[NH2+][C@@H]1CCOc2c1cccc2[*:1]
CC(C)c1cccc2c1OCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)c1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(cc1)[*:1]
CNC(=O)[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1F CNC(=O)[C@@H](C)[*:1] O=C(N[*:1])c1cccc(c1F)C(F)(F)F
CNC(=O)[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1F CNC(=O)[*:1] C[C@@H](NC(=O)c1cccc(c1F)C(F)(F)F)[*:1]
CNC(=O)[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] CNC(=O)[C@@H](C)NC(=O)c1cccc(c1F)[*:1]
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 O=[N+]([O-])[*:1] O=C(N/N=C/c1cccc(c1)[*:1])c1ccc(cc1)NC(=O)C1CC1
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] O=C(N/N=C/c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C(N/N=C/c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
O=C(c1cnc2ccoc2c1)N1CCC[C@H](C(=O)N2CCCC2)C1 O=C(N1CCCC1)[*:1] O=C(c1cnc2ccoc2c1)N1CCC[C@H](C1)[*:1]
C[NH2+][C@H](c1ccc(F)cc1)[C@@H](C)OC CO[C@H](C)[*:1] C[NH2+][C@H](c1ccc(F)cc1)[*:1]
COc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1Cl COc1ccc(cc1Cl)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)[C@H](C)CC(=O)N[*:1]
C[C@H]1CCN(C(=O)c2ccnc(-n3cncn3)c2)[C@@H](c2ccco2)C1 c1coc(c1)[*:1] C[C@H]1CCN(C(=O)c2ccnc(c2)-n2cncn2)[C@@H](C1)[*:1]
C[C@H]1CCN(C(=O)c2ccnc(-n3cncn3)c2)[C@@H](c2ccco2)C1 c1ncn(n1)[*:1] C[C@H]1CCN(C(=O)c2ccnc(c2)[*:1])[C@H](C1)c1ccco1
C/C(=C/C(=O)NC1(C(N)=O)CCCCC1)c1cccc(C(F)(F)F)c1 NC(=O)[*:1] C/C(=C/C(=O)NC1(CCCCC1)[*:1])c1cccc(c1)C(F)(F)F
C/C(=C/C(=O)NC1(C(N)=O)CCCCC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C/C(=C/C(=O)NC1(CCCCC1)C(N)=O)c1cccc(c1)[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)Cc2c(C)noc2C)o1 Cc1noc(C)c1[*:1] Cc1ccc(o1)[C@@H]1CSCCN1C(=O)C[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)Cc2c(C)noc2C)o1 Cc1ccc(o1)[*:1] Cc1noc(C)c1CC(=O)N1CCSC[C@H]1[*:1]
CC1(C)CCCC[C@H]1NC(=O)c1ccc(/C(N)=N/O)cn1 N/C(=N\O)[*:1] CC1(C)CCCC[C@H]1NC(=O)c1ccc(cn1)[*:1]
O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C(CN1CCN(C1=O)c1ccc2OCCOc2c1)N[*:1]
O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(CN1CCN(C1=O)c1ccc2OCCOc2c1)NCC[*:1]
O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CN1CCN(C1=O)c1ccc2OCCOc2c1)NC[*:1]
O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)C1=Cc2ccccc2OC1 O=[N+]([O-])[*:1] O=C(Nc1n[nH]c2ccc(cc12)[*:1])C1=Cc2ccccc2OC1
CCNc1nnc(SCC(=O)N2CCC[C@H](C(F)(F)F)C2)s1 FC(F)(F)[*:1] CCNc1nnc(SCC(=O)N2CCC[C@H](C2)[*:1])s1
CCNc1nnc(SCC(=O)N2CCC[C@H](C(F)(F)F)C2)s1 CCN[*:1] O=C(CSc1nnc(s1)[*:1])N1CCC[C@@H](C1)C(F)(F)F
C[C@@]1(c2ccccc2)C[NH+]=C(N)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@]1(C[NH+]=C(N)N1[*:1])c1ccccc1
C[C@@]1(c2ccccc2)C[NH+]=C(N)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@]1(C[NH+]=C(N)N1C[*:1])c1ccccc1
C[C@@]1(c2ccccc2)C[NH+]=C(N)N1C[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@]1(C[NH+]=C(N)N1C[C@@H]1CCCO1)[*:1]
NC(=O)NCc1ccc(NC(=O)c2cc(F)ccc2F)cc1 NC(=O)N[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cc(F)ccc1F
NC(=O)NCc1ccc(NC(=O)c2cc(F)ccc2F)cc1 NC(=O)NC[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(F)ccc1F
Cc1ccccc1-c1nc2ccccc2n1C[C@@H](C)O C[C@@H](O)[*:1] Cc1ccccc1-c1nc2ccccc2n1C[*:1]
Cc1ccccc1-c1nc2ccccc2n1C[C@@H](C)O C[C@@H](O)C[*:1] Cc1ccccc1-c1nc2ccccc2n1[*:1]
CCc1nc(NC(=O)CCc2nncn2-c2ccccc2)sc1C CCc1nc(sc1C)[*:1] O=C(CCc1nncn1-c1ccccc1)N[*:1]
CCc1nc(NC(=O)CCc2nncn2-c2ccccc2)sc1C c1ccc(cc1)[*:1] CCc1nc(NC(=O)CCc2nncn2[*:1])sc1C
C[C@H]([NH3+])c1ccccc1N(C)CCc1cccs1 c1csc(c1)[*:1] C[C@H]([NH3+])c1ccccc1N(C)CC[*:1]
C[C@H]([NH3+])c1ccccc1N(C)CCc1cccs1 c1csc(c1)C[*:1] C[C@H]([NH3+])c1ccccc1N(C)C[*:1]
COCCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 COCC[*:1] O=C(CN1c2ccccc2NC2CCCC(=O)C=2[C@H]1c1cccs1)NC[*:1]
COCCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 COCCCNC(=O)[*:1] O=C1CCCC2Nc3ccccc3N(C[*:1])[C@@H](C=21)c1cccs1
COCCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 COC[*:1] O=C(CN1c2ccccc2NC2CCCC(=O)C=2[C@H]1c1cccs1)NCC[*:1]
COCCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 COCCCNC(=O)C[*:1] O=C1CCCC2Nc3ccccc3N([C@@H](C=21)c1cccs1)[*:1]
COCCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 COCCC[*:1] O=C(CN1c2ccccc2NC2CCCC(=O)C=2[C@H]1c1cccs1)N[*:1]
COCCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 c1csc(c1)[*:1] COCCCNC(=O)CN1c2ccccc2NC2CCCC(=O)C=2[C@@H]1[*:1]
CC[C@H]([NH2+]C)c1ccn(CCC(C)(C)O)c1 CC(C)(O)[*:1] CC[C@H]([NH2+]C)c1ccn(c1)CC[*:1]
CC[C@H]([NH2+]C)c1ccn(CCC(C)(C)O)c1 CC(C)(O)C[*:1] CC[C@H]([NH2+]C)c1ccn(c1)C[*:1]
CC[NH+]1CCN(c2nc3ncn(CC(=O)N4CCN(c5ccc(F)cc5)CC4)c(=O)c3s2)CC1 Fc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)c1nc2ncn(CC(=O)N3CCN(CC3)[*:1])c(=O)c2s1
CC[NH2+][C@@H](Cc1nc([C@H]2CSCCS2)no1)C(C)C CC(C)[*:1] CC[NH2+][C@@H](Cc1nc(no1)[C@H]1CSCCS1)[*:1]
CC[NH2+][C@@H](Cc1nc([C@H]2CSCCS2)no1)C(C)C C1CS[C@H](CS1)[*:1] CC[NH2+][C@@H](Cc1nc(no1)[*:1])C(C)C
Cc1csc([C@@H](C#N)C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)n1 Cc1csc(n1)[*:1] N#C[C@@H](C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1Cl)[*:1]
Cc1csc([C@@H](C#N)C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)n1 Clc1ccccc1[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
FC(F)c1nnc2ccc(N3CC[C@H](C[NH+]4CCCCC4)C3)nn12 FC(F)[*:1] c1cc2nnc(n2nc1N1CC[C@@H](C1)C[NH+]1CCCCC1)[*:1]
CCOC(=O)c1ccc2c(c1)nnn2C CCOC(=O)[*:1] Cn1nnc2cc(ccc21)[*:1]
CCOC(=O)C1(NC(=O)c2cc3c(s2)CCCCC3)CC[NH+](C)CC1 CCOC(=O)[*:1] C[NH+]1CCC(CC1)(NC(=O)c1cc2CCCCCc2s1)[*:1]
N#CCCCOc1cccc(NC(=O)Cc2ccc(F)cc2F)c1 N#CCC[*:1] O=C(Cc1ccc(F)cc1F)Nc1cccc(c1)OC[*:1]
N#CCCCOc1cccc(NC(=O)Cc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] N#CCCCOc1cccc(c1)NC(=O)C[*:1]
N#CCCCOc1cccc(NC(=O)Cc2ccc(F)cc2F)c1 N#CC[*:1] O=C(Cc1ccc(F)cc1F)Nc1cccc(c1)OCC[*:1]
N#CCCCOc1cccc(NC(=O)Cc2ccc(F)cc2F)c1 N#CCCC[*:1] O=C(Cc1ccc(F)cc1F)Nc1cccc(c1)O[*:1]
N#CCCCOc1cccc(NC(=O)Cc2ccc(F)cc2F)c1 N#CCCCO[*:1] O=C(Cc1ccc(F)cc1F)Nc1cccc(c1)[*:1]
Cc1ccccc1[C@H]1C[C@@H](C)N([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 Cc1ccccc1[*:1] C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1C[C@H](C[C@H]1C)[*:1]
COc1ccccc1-c1cc(C(F)(F)F)nc(S(C)(=O)=O)n1 FC(F)(F)[*:1] COc1ccccc1-c1cc(nc(n1)S(C)(=O)=O)[*:1]
COc1ccccc1-c1cc(C(F)(F)F)nc(S(C)(=O)=O)n1 CS(=O)(=O)[*:1] COc1ccccc1-c1cc(nc(n1)[*:1])C(F)(F)F
CC(C)[C@@H](CS)CN1CCN(C)c2ccccc21 CC(C)[*:1] CN1CCN(C[C@H](CS)[*:1])c2ccccc21
Cc1cc(C(=O)Nc2cc(-c3ccncc3)n[nH]2)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1cc(nc(n1)[*:1])C(=O)Nc1cc(n[nH]1)-c1ccncc1
Cc1cc(C(=O)Nc2cc(-c3ccncc3)n[nH]2)nc(N2CCOCC2)n1 c1cc(ccn1)[*:1] Cc1cc(nc(n1)N1CCOCC1)C(=O)Nc1cc(n[nH]1)[*:1]
Cc1nccn1-c1ncccc1NC(=O)[C@@H]1COc2ccccc2C1 Cc1nccn1[*:1] O=C(Nc1cccnc1[*:1])[C@@H]1COc2ccccc2C1
Cc1ccc(CNC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)CNC(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(CNC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCOCC1)Nc1ccc(cc1)NC(=O)NC[*:1]
Cc1ccc(CNC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)CNC(=O)Nc1ccc(cc1)NC(=O)C[*:1]
Cc1ccc(CNC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 Cc1ccc(cc1)C[*:1] O=C(CN1CCOCC1)Nc1ccc(cc1)NC(=O)N[*:1]
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 Cc1cc(no1)[*:1] Cc1ccc(o1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(cc1)C(C)(C)C)[*:1]
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 CC(C)(C)c1ccc(cc1)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@@H]1[*:1]
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 Cc1ccc(o1)C(=O)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C([C@H]1c1ccc(cc1)C(C)(C)C)[*:1]
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 Cc1ccc(o1)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(cc1)C(C)(C)C
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 CC(C)(C)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(cc1)[*:1]
COCCN1C(=O)c2ccc(C(=O)Nc3nnc(C4CCC4)s3)cc2C1=O COC[*:1] O=C(Nc1nnc(s1)C1CCC1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
COCCN1C(=O)c2ccc(C(=O)Nc3nnc(C4CCC4)s3)cc2C1=O COCC[*:1] O=C(Nc1nnc(s1)C1CCC1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COCCN1C(=O)c2ccc(C(=O)Nc3nnc(C4CCC4)s3)cc2C1=O C1CC(C1)c1nnc(s1)[*:1] COCCN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COCCN1C(=O)c2ccc(C(=O)Nc3nnc(C4CCC4)s3)cc2C1=O C1CC(C1)[*:1] COCCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1nnc(s1)[*:1]
CCOC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc2c1CC[C@H](C)C2 Nc1nc(n[nH]1)[*:1] CCOC(=O)c1c(NC(=O)CS[*:1])sc2C[C@@H](C)CCc21
CCOC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc2c1CC[C@H](C)C2 CCOC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)CSc1n[nH]c(N)n1)c2[*:1]
CCOC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc2c1CC[C@H](C)C2 Nc1nc(n[nH]1)SC[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2C[C@@H](C)CCc21
CCOC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc2c1CC[C@H](C)C2 Nc1nc(n[nH]1)S[*:1] CCOC(=O)c1c(NC(=O)C[*:1])sc2C[C@@H](C)CCc21
O=C(N/N=C\c1cccs1)C(=O)Nc1ccc(Cl)cc1 c1csc(c1)[*:1] O=C(NN=C[*:1])C(=O)Nc1ccc(Cl)cc1
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(OC(F)F)cc2)n(C)n1 Cc1cc(n(C)n1)[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(OC(F)F)cc2)n(C)n1 FC(F)O[*:1] Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(cc2)[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(OC(F)F)cc2)n(C)n1 FC(F)[*:1] Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(cc2)O[*:1])n(C)n1
CCc1nn(C)c(N[C@H]2CCN(c3ccccc3OC(F)F)C2)c1[N+](=O)[O-] FC(F)[*:1] CCc1nn(C)c(N[C@H]2CCN(C2)c2ccccc2O[*:1])c1[N+](=O)[O-]
CCc1nn(C)c(N[C@H]2CCN(c3ccccc3OC(F)F)C2)c1[N+](=O)[O-] FC(F)O[*:1] CCc1nn(C)c(N[C@H]2CCN(C2)c2ccccc2[*:1])c1[N+](=O)[O-]
CCc1nn(C)c(N[C@H]2CCN(c3ccccc3OC(F)F)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(N[C@H]2CCN(C2)c2ccccc2OC(F)F)c1[*:1]
Cc1c(C(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)oc2c1C(=O)CCC2 CC(C)(C)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N[C@H](c1cccc(F)c1)[*:1]
Cc1c(C(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)oc2c1C(=O)CCC2 Fc1cccc(c1)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N[C@H](C(C)(C)C)[*:1]
CN(C)[C@@H](CNC(=O)C(=O)NC1CCCC1)c1cccs1 CN(C)[*:1] O=C(NC[C@@H](c1cccs1)[*:1])C(=O)NC1CCCC1
CN(C)[C@@H](CNC(=O)C(=O)NC1CCCC1)c1cccs1 C1CCC(C1)[*:1] CN(C)[C@@H](CNC(=O)C(=O)N[*:1])c1cccs1
CN(C)[C@@H](CNC(=O)C(=O)NC1CCCC1)c1cccs1 c1csc(c1)[*:1] CN(C)[C@@H](CNC(=O)C(=O)NC1CCCC1)[*:1]
CCc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)s1 CCc1ccc(s1)[*:1] CN(C)N1C(N)=C(C#N)[C@H](C2C(=O)CC(C)(C)CC=21)[*:1]
CCOC(=O)[C@@]1(Nc2cc(C)cc(F)c2)CCCSC1 CCOC(=O)[*:1] Cc1cc(F)cc(c1)N[C@]1(CCCSC1)[*:1]
CCCCC[C@](C)([NH3+])c1ccc(C)c(F)c1 CCC[*:1] Cc1ccc(cc1F)[C@@](C)([NH3+])CC[*:1]
CCCCC[C@](C)([NH3+])c1ccc(C)c(F)c1 CCCCC[*:1] Cc1ccc(cc1F)[C@](C)([NH3+])[*:1]
CCCCC[C@](C)([NH3+])c1ccc(C)c(F)c1 CCCC[*:1] Cc1ccc(cc1F)[C@@](C)([NH3+])C[*:1]
CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] CC[NH+]1CCN(CC1)[C@@H](C)CNC(=O)[C@H](C)NC(=O)[*:1]
CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 CC(C)(C)C(=O)N[*:1] CC[NH+]1CCN(CC1)[C@@H](C)CNC(=O)[C@H](C)[*:1]
CCCOc1ccc(-c2c[nH]c(=S)[nH]2)cc1 CCCO[*:1] S=c1[nH]cc([nH]1)-c1ccc(cc1)[*:1]
CCCOc1ccc(-c2c[nH]c(=S)[nH]2)cc1 CCC[*:1] S=c1[nH]cc([nH]1)-c1ccc(cc1)O[*:1]
Cc1ccc(F)cc1CC(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 C1CC(CCO1)[*:1] Cc1ccc(F)cc1CC(=O)N1CC[C@@](O)([C@H](C)C1)[*:1]
Cc1ccc(F)cc1CC(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 Cc1ccc(F)cc1[*:1] C[C@@H]1CN(CC[C@@]1(O)C1CCOCC1)C(=O)C[*:1]
Cc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2C)c(N(C)C)c1 c1ccc(cc1)[*:1] Cc1ccc(CNC(=O)c2c(C)nn(C[*:1])c2C)c(c1)N(C)C
Cc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2C)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2C)c(c1)[*:1]
Cc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2C)c(N(C)C)c1 c1ccc(cc1)C[*:1] Cc1ccc(CNC(=O)c2c(C)nn(c2C)[*:1])c(c1)N(C)C
Cc1cc(C(=O)CSc2nncn2C(C)(C)C)c(C)n1C1CC1 CC(C)(C)[*:1] Cc1cc(C(=O)CSc2nncn2[*:1])c(C)n1C1CC1
Cc1cc(C(=O)CSc2nncn2C(C)(C)C)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)CSc2nncn2C(C)(C)C)c(C)n1[*:1]
O=C([C@H]1CSc2ccccc21)N(CCCl)C1CCCC1 C1CCC(C1)[*:1] O=C([C@H]1CSc2ccccc21)N(CCCl)[*:1]
O=C([C@H]1CSc2ccccc21)N(CCCl)C1CCCC1 ClCC[*:1] O=C([C@H]1CSc2ccccc21)N(C1CCCC1)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 CC[C@@H](C)[*:1] CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCCC(=O)N[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 CC[C@@H](C)NC(=O)[*:1] CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCC[*:1]
COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CCN(Cc1ccc(F)cc1)CC2 Fc1ccc(cc1)C[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)[C@H](C)c1ccco1)[*:1]
COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CCN(Cc1ccc(F)cc1)CC2 c1coc(c1)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)[C@H](C)[*:1])Cc1ccc(F)cc1
COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CCN(Cc1ccc(F)cc1)CC2 Fc1ccc(cc1)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)[C@H](C)c1ccco1)C[*:1]
N#Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]1C(N)=O NC(=O)[*:1] N#Cc1ccsc1C(=O)N[C@@H]1CCC[C@H]1[*:1]
COc1cc(C)c(C)cc1S(=O)(=O)NCc1ccccn1 c1ccc(nc1)[*:1] COc1cc(C)c(C)cc1S(=O)(=O)NC[*:1]
COc1cc(C)c(C)cc1S(=O)(=O)NCc1ccccn1 c1ccc(C[*:1])nc1 COc1cc(C)c(C)cc1S(=O)(=O)N[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C#N)cc2)cc1 CC(=O)[*:1] CN(CC(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(C)CC(=O)N[*:1]
Cc1ccc(-c2nc(C)sc2CC(=O)N(C)CC(=O)NC(C)C)cc1 CC(C)NC(=O)C[*:1] Cc1ccc(cc1)-c1nc(C)sc1CC(=O)N(C)[*:1]
Cc1ccc(-c2nc(C)sc2CC(=O)N(C)CC(=O)NC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1nc(C)sc1CC(=O)N(C)CC(=O)N[*:1]
Cc1ccc(-c2nc(C)sc2CC(=O)N(C)CC(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)-c1nc(C)sc1CC(=O)N(C)C[*:1]
Cc1ccc(-c2nc(C)sc2CC(=O)N(C)CC(=O)NC(C)C)cc1 Cc1ccc(cc1)[*:1] Cc1nc(c(CC(=O)N(C)CC(=O)NC(C)C)s1)[*:1]
CC[C@@H](N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C)c1c(C)noc1C Fc1ccc(cc1)[*:1] CC[C@@H](N[C@H](C)c1sc(nc1C)[*:1])c1c(C)noc1C
CC[C@@H](N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H](N[C@H](C)c1sc(nc1C)-c1ccc(F)cc1)[*:1]
CO[C@H](C)C(=O)Nc1cc(F)ccc1OC(C)C CO[C@H](C)[*:1] CC(C)Oc1ccc(F)cc1NC(=O)[*:1]
CO[C@H](C)C(=O)Nc1cc(F)ccc1OC(C)C CC(C)O[*:1] CO[C@H](C)C(=O)Nc1cc(F)ccc1[*:1]
CO[C@H](C)C(=O)Nc1cc(F)ccc1OC(C)C CC(C)[*:1] CO[C@H](C)C(=O)Nc1cc(F)ccc1O[*:1]
Cc1ccc(-c2cn(CCCc3ccncc3)nn2)cc1C c1cc(ccn1)C[*:1] Cc1ccc(cc1C)-c1cn(CC[*:1])nn1
Cc1ccc(-c2cn(CCCc3ccncc3)nn2)cc1C c1cc(ccn1)[*:1] Cc1ccc(cc1C)-c1cn(CCC[*:1])nn1
Cc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)cc1S(=O)(=O)N1CCOCC1 C1CC1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N([C@H](C)c1ccco1)[*:1]
Cc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)cc1S(=O)(=O)N1CCOCC1 c1coc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N(C1CC1)[C@H](C)[*:1]
Cc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)N(C1CC1)[C@H](C)c1ccco1
CC1(C)CN(C(=O)Nc2nnc(C3CC3)s2)CCO1 C1CC1[*:1] CC1(C)CN(CCO1)C(=O)Nc1nnc(s1)[*:1]
CC1(C)[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC[C@]1(C)C(=O)[O-] O=C([O-])[*:1] CC1(C)[C@@H](CC[C@@]1(C)[*:1])C(=O)Nc1cccc(c1)C(=O)[O-]
CC1(C)[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC[C@]1(C)C(=O)[O-] O=C([O-])[*:1] CC1(C)[C@@H](CC[C@]1(C)C(=O)[O-])C(=O)Nc1cccc(c1)[*:1]
CC[NH+](Cc1ccc(C(=O)NC)cc1)Cc1ccccc1C Cc1ccccc1[*:1] CC[NH+](Cc1ccc(cc1)C(=O)NC)C[*:1]
CC[NH+](Cc1ccc(C(=O)NC)cc1)Cc1ccccc1C CNC(=O)[*:1] CC[NH+](Cc1ccc(cc1)[*:1])Cc1ccccc1C
COc1cccc2cc(C(N)=O)/c(=N/c3ccccc3C(N)=O)oc12 NC(=O)[*:1] COc1cccc2cc(/c(=N/c3ccccc3C(N)=O)oc12)[*:1]
COc1cccc2cc(C(N)=O)/c(=N/c3ccccc3C(N)=O)oc12 NC(=O)[*:1] COc1cccc2cc(C(N)=O)/c(=N/c3ccccc3[*:1])oc12
CN(C)C(=O)c1cc(NC(=O)N2CCCC2)ccc1F CN(C)C(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])N1CCCC1
COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1-n1nc(C)cc1C)[NH+]1CCCC1 Cc1cc(C)n(n1)[*:1] COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1-n1nc(C)cc1C)[NH+]1CCCC1 COc1ccccc1[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
COc1cc(C[NH+](C)CC(=O)Nc2ccccc2)cc(Br)c1O c1ccc(cc1)[*:1] COc1cc(cc(Br)c1O)C[NH+](C)CC(=O)N[*:1]
c1ccc([C@H](n2nnc3ccccc32)[NH+]2CCOCC2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)nnn2[C@H]([NH+]1CCOCC1)[*:1]
O=C(CCNC(=O)C(=O)Nc1cccc2cccnc12)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(NCC[*:1])C(=O)Nc1cccc2cccnc12
O=C(CCNC(=O)C(=O)Nc1cccc2cccnc12)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCNC(=O)C(=O)Nc1cccc2cccnc12)N[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)CC1CCCC1 C1CCC(C1)C[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)CC1CCCC1 C1CCC(C1)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)C[*:1]
CNC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 CNC(=O)N[*:1] Clc1ccc(cc1)[C@H](C[*:1])n1cccn1
CNC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 c1cnn(c1)[*:1] CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[*:1]
CNC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 CNC(=O)NC[*:1] Clc1ccc(cc1)[C@@H](n1cccn1)[*:1]
C#CCC[C@@H](O)[C@]1([NH+](C)C)CCC[C@H](C)C1 C#CCC[*:1] C[C@H]1CCC[C@](C1)([C@H](O)[*:1])[NH+](C)C
C#CCC[C@@H](O)[C@]1([NH+](C)C)CCC[C@H](C)C1 C#CC[*:1] C[C@H]1CCC[C@](C1)([C@H](O)C[*:1])[NH+](C)C
COc1ccccc1/C=C/C(=O)Nc1ccc(C)c(NC(C)=O)c1 CC(=O)N[*:1] COc1ccccc1/C=C/C(=O)Nc1ccc(C)c(c1)[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccc(C)c(NC(C)=O)c1 COc1ccccc1[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)C=C[*:1]
N#Cc1ccc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)C(=O)Nc1ccc(cc1)CC(=O)N[*:1]
N#Cc1ccc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc1 O=C(C[*:1])NC1CC1 N#Cc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
N#Cc1ccc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc1 O=C(NC1CC1)[*:1] N#Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C[*:1]
N#Cc1ccc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])NC1CC1
O=C(COc1ccc2ccccc2c1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] O=C(COc1ccc2ccccc2c1)NC(=S)Nc1cc(ccc1F)[*:1]
CSc1ccc(CCNC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1 Fc1ccc(cc1)[*:1] CSc1ccc(cc1)CCNC(=O)[C@@H]1CCN(C1=O)[*:1]
CSc1ccc(CCNC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1 CSc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@@H]1CCN(C1=O)c1ccc(F)cc1
CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(F)cc2)CC1=O Fc1ccc(cc1)[*:1] CCOc1ccccc1N1C[C@H](CC1=O)C(=O)N[*:1]
CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(F)cc2)CC1=O CCO[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(C1)c1ccccc1[*:1]
Cc1ccc(NC(=O)NC(=O)CS[C@H]2N=Nc3nc4ccccc4n32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CS[C@H]1N=Nc2nc3ccccc3n21)NC(=O)N[*:1]
COc1ccc(OC)c(Nc2ncnc(Nc3ccc(Br)cc3)c2N)c1 Brc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)Nc1ncnc(N[*:1])c1N
COc1ccc(OC)c(Nc2ncnc(Nc3ccc(Br)cc3)c2N)c1 Brc1ccc(cc1)N[*:1] COc1ccc(OC)c(c1)Nc1ncnc(c1N)[*:1]
COc1ccc(OC)c(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1 Cc1nn(c(C)c1Cl)[*:1] COc1ccc(OC)c(c1)NC(=O)c1ccc(C[*:1])o1
COc1ccc(OC)c(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1 Cc1nn(C[*:1])c(C)c1Cl COc1ccc(OC)c(c1)NC(=O)c1ccc(o1)[*:1]
CCc1onc(C)c1NC(=O)[C@@H](CC)c1ccccc1 c1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)[C@@H](CC)[*:1]
COc1ccc(-n2nc(Cl)nc2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)-n1nc(Cl)nc1[*:1]
Cc1ccc(-c2ccncc2)cc1NC(=O)CCCOc1cccnc1 c1cncc(c1)OC[*:1] Cc1ccc(cc1NC(=O)CC[*:1])-c1ccncc1
Cc1ccc(-c2ccncc2)cc1NC(=O)CCCOc1cccnc1 c1cncc(c1)[*:1] Cc1ccc(cc1NC(=O)CCCO[*:1])-c1ccncc1
Cc1ccc(-c2ccncc2)cc1NC(=O)CCCOc1cccnc1 c1cncc(c1)O[*:1] Cc1ccc(cc1NC(=O)CCC[*:1])-c1ccncc1
Cc1ccc(-c2ccncc2)cc1NC(=O)CCCOc1cccnc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)CCCOc1cccnc1)[*:1]
COc1ccc(-n2nnnc2SC[C@H]2C=c3ccc(C)cc3=[NH+]C2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc2=C[C@H](CSc3nnnn3[*:1])C(=O)[NH+]=c2c1
COc1ccc(-c2ccc3nnc(SCc4cccc(F)c4)n3n2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)-c1ccc2nnc(SC[*:1])n2n1
COc1ccc(-c2ccc3nnc(SCc4cccc(F)c4)n3n2)cc1 COc1ccc(cc1)[*:1] Fc1cccc(c1)CSc1nnc2ccc(nn12)[*:1]
COc1ccc(-c2ccc3nnc(SCc4cccc(F)c4)n3n2)cc1 Fc1cccc(c1)C[*:1] COc1ccc(cc1)-c1ccc2nnc(S[*:1])n2n1
COC(=O)C1(NC(=O)C[C@H](C)Cc2ccc(Cl)cc2)CCC1 COC(=O)[*:1] C[C@@H](CC(=O)NC1(CCC1)[*:1])Cc1ccc(Cl)cc1
COC(=O)C1(NC(=O)C[C@H](C)Cc2ccc(Cl)cc2)CCC1 Clc1ccc(cc1)[*:1] COC(=O)C1(CCC1)NC(=O)C[C@H](C)C[*:1]
CSc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1[N+](=O)[O-] c1cc2OCCc2cc1[*:1] CSc1ccc(cc1[N+](=O)[O-])C(=O)N1CCN(CC1)C[*:1]
CSc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CSc1ccc(cc1[*:1])C(=O)N1CCN(CC1)Cc1ccc2OCCc2c1
CC(=O)c1ccc(OC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 O=S(=O)(C(F)F)[*:1] CC(=O)c1ccc(cc1)OC(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(OC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 FC(F)[*:1] CC(=O)c1ccc(cc1)OC(=O)c1ccc(cc1)S(=O)(=O)[*:1]
CC(=O)c1ccc(OC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 CC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccc(cc1)S(=O)(=O)C(F)F
Cc1ccc(C)c(NC(=O)COC(=O)c2cc3c(s2)CCCC3)c1 Cc1ccc(C)c(c1)[*:1] O=C(COC(=O)c1cc2CCCCc2s1)N[*:1]
CN(CCOC(=O)CN1C(=O)CCc2ccccc21)c1ccccc1 CN(c1ccccc1)[*:1] O=C(CN1C(=O)CCc2ccccc21)OCC[*:1]
CN(CCOC(=O)CN1C(=O)CCc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CN(CCOC(=O)CN1C(=O)CCc2ccccc21)[*:1]
CSc1ccc(C[NH+]2CCC(CC(=O)[O-])CC2)cc1 O=C([O-])C[*:1] CSc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CSc1ccc(C[NH+]2CCC(CC(=O)[O-])CC2)cc1 O=C([O-])[*:1] CSc1ccc(cc1)C[NH+]1CCC(CC1)C[*:1]
Cc1ccccc1OCC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 Cc1ccccc1[*:1] O=C(CO[*:1])NC(=S)Nc1cc(Cl)cc(Cl)c1
Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCCN1CCCC1=O)C3 O=C1CCCN1C[*:1] Cc1c(Cc2ccccc2)c(=O)oc2c3CN(CC[*:1])COc3ccc12
Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCCN1CCCC1=O)C3 c1ccc(cc1)C[*:1] Cc1c(c(=O)oc2c3CN(CCCN4CCCC4=O)COc3ccc12)[*:1]
Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCCN1CCCC1=O)C3 O=C1CCCN1CCC[*:1] Cc1c(Cc2ccccc2)c(=O)oc2c3CN(COc3ccc12)[*:1]
Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCCN1CCCC1=O)C3 O=C1CCCN1[*:1] Cc1c(Cc2ccccc2)c(=O)oc2c3CN(CCC[*:1])COc3ccc12
Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCCN1CCCC1=O)C3 O=C1CCCN1CC[*:1] Cc1c(Cc2ccccc2)c(=O)oc2c3CN(COc3ccc12)C[*:1]
Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCCN1CCCC1=O)C3 c1ccc(cc1)[*:1] Cc1c(C[*:1])c(=O)oc2c3CN(CCCN4CCCC4=O)COc3ccc12
CCC[NH2+][C@H]1CCCCCC[C@H]1Sc1ccncc1 CCC[*:1] c1cc(ccn1)S[C@@H]1CCCCCC[C@@H]1[NH2+][*:1]
CCC[NH2+][C@H]1CCCCCC[C@H]1Sc1ccncc1 c1cc(ccn1)[*:1] CCC[NH2+][C@H]1CCCCCC[C@H]1S[*:1]
Cn1nccc1CNC(=O)N1CCCC[C@@H]1CCc1ccccc1 Cn1nccc1C[*:1] O=C(N[*:1])N1CCCC[C@@H]1CCc1ccccc1
Cn1nccc1CNC(=O)N1CCCC[C@@H]1CCc1ccccc1 Cn1nccc1[*:1] O=C(NC[*:1])N1CCCC[C@@H]1CCc1ccccc1
Cn1nccc1CNC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] Cn1nccc1CNC(=O)N1CCCC[C@@H]1C[*:1]
Cn1nccc1CNC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] Cn1nccc1CNC(=O)N1CCCC[C@@H]1CC[*:1]
Cn1nccc1CNC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] Cn1nccc1CNC(=O)N1CCCC[C@H]1[*:1]
CC(=O)ONc1ncnc2no[n+]([O-])c12 CC(=O)ON[*:1] [O-][n+]1onc2ncnc(c21)[*:1]
Cc1cc(C(=O)N2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)ccc1F O=C(N1CCCCC1)[*:1] Cc1cc(ccc1F)C(=O)N1CCN(CC1)[C@@H](C)[*:1]
Cc1cc(C(=O)N2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)ccc1F Cc1cc(ccc1F)[*:1] C[C@@H](C(=O)N1CCCCC1)N1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(-n2cncn2)c(Cl)c1)C1=CCCCO1 c1ncn(n1)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])C1=CCCCO1
N#CCC(=O)Nc1ccc(Cl)cc1 N#CC[*:1] O=C(Nc1ccc(Cl)cc1)[*:1]
COc1cccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1 COc1cccc(c1)[*:1] C[NH+]1CCC(CC1)Nc1ccccc1NC(=O)[*:1]
C[C@H](OC(=O)c1ccc(SC(F)F)cc1)c1nccs1 FC(F)[*:1] C[C@H](OC(=O)c1ccc(cc1)S[*:1])c1nccs1
C[C@H](OC(=O)c1ccc(SC(F)F)cc1)c1nccs1 FC(F)S[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])c1nccs1
C[C@H](OC(=O)c1ccc(SC(F)F)cc1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)c1ccc(cc1)SC(F)F)[*:1]
O=S(=O)(NCC1CC[NH+](Cc2ccco2)CC1)C1CC1 c1coc(c1)[*:1] O=S(=O)(NCC1CC[NH+](CC1)C[*:1])C1CC1
O=S(=O)(NCC1CC[NH+](Cc2ccco2)CC1)C1CC1 c1coc(c1)C[*:1] O=S(=O)(NCC1CC[NH+](CC1)[*:1])C1CC1
O=S(=O)(NCC1CC[NH+](Cc2ccco2)CC1)C1CC1 C1CC1[*:1] O=S(=O)(NCC1CC[NH+](CC1)Cc1ccco1)[*:1]
CCc1nnc2n1CCN(C(=O)c1csc(-c3cnn(C)c3)n1)C2 Cn1cc(cn1)[*:1] CCc1nnc2CN(CCn12)C(=O)c1csc(n1)[*:1]
OC1=Nc2c(ncn2-c2cccc(F)c2)[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] OC1C[C@@H](c2ncn(-c3cccc(F)c3)c2N=1)[*:1]
OC1=Nc2c(ncn2-c2cccc(F)c2)[C@H](c2ccccc2F)C1 Fc1cccc(c1)[*:1] OC1C[C@@H](c2ccccc2F)c2ncn(c2N=1)[*:1]
Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4ccc5c(c4)C[C@H](C)O5)C3)cc2n1 C[C@H]1Cc2cc(ccc2O1)[*:1] Cc1cc(n2nc(cc2n1)[C@H]1CCCN(C1)C(=O)[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4ccc5c(c4)C[C@H](C)O5)C3)cc2n1 FC(F)(F)[*:1] Cc1cc(n2nc(cc2n1)[C@H]1CCCN(C1)C(=O)c1ccc2O[C@@H](C)Cc2c1)[*:1]
Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1[*:1]
Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C1=C(O)C(=O)N(C[*:1])[C@@H]1c1ccccc1
Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C1=C(O)C(=O)N([C@@H]1c1ccccc1)[*:1]
Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C1C(O)=C([C@@H](c2ccccc2)N1Cc1ccccc1)[*:1]
Cc1ccc(-c2nnn(C[C@H](O)CO[C@@H](C)c3ccc(Cl)cc3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@H](OC[C@@H](O)Cn1nnc(n1)[*:1])c1ccc(Cl)cc1
Cc1ccc(-c2nnn(C[C@H](O)CO[C@@H](C)c3ccc(Cl)cc3)n2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnn(C[C@H](O)CO[C@@H](C)[*:1])n1
C[NH+](C)[C@H]1CC[C@H](NC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 FC(F)(F)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCc1ccc(F)cc1[*:1]
C/[NH+]=C(/NCC1(SC)CCOCC1)N1CC[C@@H](CN2CCOCC2)C1 CSC1(CCOCC1)[*:1] C/[NH+]=C(/NC[*:1])N1CC[C@@H](CN2CCOCC2)C1
C/[NH+]=C(/NCC1(SC)CCOCC1)N1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] C/[NH+]=C(/NCC1(CCOCC1)SC)N1CC[C@H](C1)C[*:1]
C/[NH+]=C(/NCC1(SC)CCOCC1)N1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] C/[NH+]=C(/NCC1(CCOCC1)SC)N1CC[C@@H](C1)[*:1]
COc1ccc(CCC(=O)Oc2ccccc2F)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)CCC(=O)O[*:1]
O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1CCCN(C(=O)C(F)(F)F)C1 FC(F)(F)[*:1] O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1CCCN(C1)C(=O)[*:1]
C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1OCC C#CC[*:1] CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1O[*:1]
C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1OCC C#CCO[*:1] CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1[*:1]
C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1OCC CCO[*:1] C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1[*:1]
Cc1ccc(OCC(=O)NNc2ccc(-c3ccccc3)nn2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(OCC(=O)NNc2ccc(nn2)[*:1])c(C)c1
Cc1ccc(OCC(=O)NNc2ccc(-c3ccccc3)nn2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CO[*:1])NNc1ccc(nn1)-c1ccccc1
O=[N+]([O-])c1ccccc1OC(=S)Cl O=[N+]([O-])[*:1] S=C(Cl)Oc1ccccc1[*:1]
O=[N+]([O-])c1ccccc1OC(=S)Cl S=C(Cl)O[*:1] O=[N+]([O-])c1ccccc1[*:1]
CNC(=O)[C@H](C)[NH2+][C@@H]1CCCS[C@@H]1C CNC(=O)[*:1] C[C@H]([NH2+][C@@H]1CCCS[C@@H]1C)[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)Nc1cccc(-c2cnco2)c1 CC(C)C[*:1] [NH3+]C[C@@H](C(=O)Nc1cccc(c1)-c1cnco1)[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)Nc1cccc(-c2cnco2)c1 c1ncc(o1)[*:1] CC(C)C[C@@H](C[NH3+])C(=O)Nc1cccc(c1)[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)Nc1cccc(-c2cnco2)c1 CC(C)[*:1] [NH3+]C[C@H](C[*:1])C(=O)Nc1cccc(c1)-c1cnco1
Cc1cc(F)cc(NC2(C(N)=O)CCC(C(C)C)CC2)c1 NC(=O)[*:1] Cc1cc(F)cc(c1)NC1(CCC(CC1)C(C)C)[*:1]
Cc1cc(F)cc(NC2(C(N)=O)CCC(C(C)C)CC2)c1 CC(C)[*:1] Cc1cc(F)cc(c1)NC1(CCC(CC1)[*:1])C(N)=O
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)ccc1O O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)c1cc(Cl)ccc1O)[*:1]
Cc1cccc(OCCCCn2c(=O)oc(=O)c3cc(Br)ccc32)c1C Cc1cccc(c1C)[*:1] O=c1oc(=O)n(CCCCO[*:1])c2ccc(Br)cc12
O=C(Nc1ccc(F)cc1I)OCCO OCC[*:1] O=C(Nc1ccc(F)cc1I)O[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC1 Cc1noc(C)c1[*:1] O=C(Nc1ccc(F)c(F)c1F)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC1 Fc1ccc(c(F)c1F)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)C(=O)N[*:1]
COc1ccc(F)cc1NC(=O)CCc1nc(-c2cccs2)no1 c1csc(c1)[*:1] COc1ccc(F)cc1NC(=O)CCc1nc(no1)[*:1]
C=CCCCN(C)C(=O)c1cc(CC)ccc1O C=CCCC[*:1] CCc1ccc(O)c(c1)C(=O)N(C)[*:1]
C=CCCCN(C)C(=O)c1cc(CC)ccc1O C=CCC[*:1] CCc1ccc(O)c(c1)C(=O)N(C)C[*:1]
C=CCCCN(C)C(=O)c1cc(CC)ccc1O C=CC[*:1] CCc1ccc(O)c(c1)C(=O)N(C)CC[*:1]
CCCC(=O)N1CCC[C@H]1C(=O)NCc1coc(-c2ccc(C)cc2)n1 CCC[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)[C@@H]1CCCN1C(=O)[*:1]
CCCC(=O)N1CCC[C@H]1C(=O)NCc1coc(-c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCCC(=O)N1CCC[C@H]1C(=O)NCc1coc(n1)[*:1]
CN(CCc1cccs1)c1ncc(C[NH2+]C2CC2)cc1Cl c1csc(c1)CC[*:1] CN(c1ncc(cc1Cl)C[NH2+]C1CC1)[*:1]
CN(CCc1cccs1)c1ncc(C[NH2+]C2CC2)cc1Cl c1csc(c1)[*:1] CN(CC[*:1])c1ncc(cc1Cl)C[NH2+]C1CC1
CN(CCc1cccs1)c1ncc(C[NH2+]C2CC2)cc1Cl c1csc(c1)C[*:1] CN(C[*:1])c1ncc(cc1Cl)C[NH2+]C1CC1
CN(CCc1cccs1)c1ncc(C[NH2+]C2CC2)cc1Cl C1CC1[*:1] CN(CCc1cccs1)c1ncc(cc1Cl)C[NH2+][*:1]
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/[C@@H]2CCCO2)cc1/C=C/[C@@H]1CCCO1 C(=C[*:1])[C@@H]1CCCO1 O=[N+]([O-])c1cc(c(cc1/C=C/[C@@H]1CCCO1)[*:1])[N+](=O)[O-]
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/[C@@H]2CCCO2)cc1/C=C/[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=[N+]([O-])c1cc(c(C=C[*:1])cc1/C=C/[C@@H]1CCCO1)[N+](=O)[O-]
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/[C@@H]2CCCO2)cc1/C=C/[C@@H]1CCCO1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(c(/C=C/[C@@H]2CCCO2)cc1/C=C/[C@@H]1CCCO1)[*:1]
Cc1ccccc1S(=O)(=O)/N=C(\[O-])CO[C@H]1CCCC[C@H]1C Cc1ccccc1[*:1] C[C@@H]1CCCC[C@@H]1OC/C([O-])=N/S(=O)(=O)[*:1]
CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c1 Cc1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=O)N1CCC[C@H]1[*:1]
CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c1 CC(=O)[*:1] Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1cc(S(=O)(=O)NCc2cc3ccccc3o2)cn1C COC(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)NCc1cc2ccccc2o1
COCc1cccc(C(=O)OC[C@H]2CC2(Cl)Cl)c1 COC[*:1] O=C(OC[C@H]1CC1(Cl)Cl)c1cccc(c1)[*:1]
CC[NH2+]Cc1ccc(Cn2cncn2)nc1 c1ncn(n1)[*:1] CC[NH2+]Cc1ccc(C[*:1])nc1
Cc1ccccc1[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1)C(C)C CC(C)[*:1] Cc1ccccc1[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1)[*:1]
Cc1ccccc1[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1)[*:1]
COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)(C)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)(C)[C@H](O)[*:1]
CCOc1ccccc1[C@H](C)[C@H](C)O C[C@H](O)[*:1] CCOc1ccccc1[C@H](C)[*:1]
CCOc1ccccc1[C@H](C)[C@H](C)O CCO[*:1] C[C@H](O)[C@@H](C)c1ccccc1[*:1]
Cc1c(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc(-c2nc(-c3ccccc3)cs2)n1C c1ccc(cc1)[*:1] Cc1c(cc(-c2nc(cs2)[*:1])n1C)S(=O)(=O)[N-]c1ccc(Cl)cn1
Cc1c([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)cnn1-c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1c(cnn1[*:1])[C@H](C)[NH2+]Cc1cnn(c1)-c1ccccc1
Cc1c([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)cnn1-c1cccc(F)c1 c1ccc(cc1)[*:1] Cc1c(cnn1-c1cccc(F)c1)[C@H](C)[NH2+]Cc1cnn(c1)[*:1]
CCC[C@H]1CCC[C@@]2(CC1)C[NH2+][C@H](C)[C@H](C)O2 CCC[*:1] C[C@@H]1O[C@@]2(CCC[C@@H](CC2)[*:1])C[NH2+][C@@H]1C
Cc1nn(C)c(C)c1C[NH2+]CC1(N2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] Cc1nn(C)c(C)c1C[NH2+]CC1(CCCCC1)[*:1]
O=C(C[n+]1cccc(-c2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[n+]1cccc(c1)-c1ccccc1)[*:1]
O=C(C[n+]1cccc(-c2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[n+]1cccc(c1)[*:1])c1ccccc1
Cc1ncsc1[C@@H](C)[NH2+]C[C@H](C)Oc1cccc(Cl)c1 Cc1ncsc1[*:1] C[C@@H](C[NH2+][C@H](C)[*:1])Oc1cccc(Cl)c1
Cn1c2c(cc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)c1=O)CCCC2 c1ccc2sc(nc2c1)[*:1] Cn1c2CCCCc2cc(C(=O)N2CCC[C@@H]2[*:1])c1=O
O=C(CNC(=O)c1ccsc1)N[C@@H]1CCCC[C@H]1OC1CCCC1 O=C(N[*:1])c1ccsc1 O=C(C[*:1])N[C@@H]1CCCC[C@H]1OC1CCCC1
O=C(CNC(=O)c1ccsc1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(CNC(=O)c1ccsc1)N[C@@H]1CCCC[C@@H]1[*:1]
O=C(CNC(=O)c1ccsc1)N[C@@H]1CCCC[C@H]1OC1CCCC1 c1cc(cs1)[*:1] O=C(CNC(=O)[*:1])N[C@@H]1CCCC[C@H]1OC1CCCC1
O=C(CNC(=O)c1ccsc1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(CNC(=O)c1ccsc1)N[C@@H]1CCCC[C@H]1O[*:1]
O=C(NC1=CC2=CC=N[C@@H]2C=C1)[C@@H]1SNN[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1C=C[C@H]2N=CC=C2C=1)[C@@H]1SNN[C@H]1[*:1]
Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CN2CCCC[C@@H]2CO1 Cc1ccsc1[*:1] C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
N/C(=N\OCc1c(F)cccc1Cl)c1cccnc1 c1cncc(c1)[*:1] N/C(=N\OCc1c(F)cccc1Cl)[*:1]
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cnn(C)c4C)c(Cl)c3N2)cc1 COc1ccc(cc1)[*:1] Cc1c(cnn1C)CNC(=O)c1nn2c(N[C@H](C[C@H]2C(F)(F)F)[*:1])c1Cl
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cnn(C)c4C)c(Cl)c3N2)cc1 Cc1c(cnn1C)C[*:1] COc1ccc(cc1)[C@H]1C[C@H](n2nc(C(=O)N[*:1])c(Cl)c2N1)C(F)(F)F
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cnn(C)c4C)c(Cl)c3N2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](n2nc(C(=O)NCc3cnn(C)c3C)c(Cl)c2N1)[*:1]
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cnn(C)c4C)c(Cl)c3N2)cc1 Cc1c(cnn1C)CNC(=O)[*:1] COc1ccc(cc1)[C@H]1C[C@H](n2nc(c(Cl)c2N1)[*:1])C(F)(F)F
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cnn(C)c4C)c(Cl)c3N2)cc1 Cc1c(cnn1C)[*:1] COc1ccc(cc1)[C@H]1C[C@H](n2nc(C(=O)NC[*:1])c(Cl)c2N1)C(F)(F)F
Cc1occc1C(=O)N[C@H](CN1CCOCC1)c1ccccc1 C1CN(CCO1)C[*:1] Cc1occc1C(=O)N[C@H](c1ccccc1)[*:1]
Cc1occc1C(=O)N[C@H](CN1CCOCC1)c1ccccc1 Cc1occc1[*:1] O=C(N[C@H](CN1CCOCC1)c1ccccc1)[*:1]
Cc1occc1C(=O)N[C@H](CN1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] Cc1occc1C(=O)N[C@H](C[*:1])c1ccccc1
Cc1occc1C(=O)N[C@H](CN1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] Cc1occc1C(=O)N[C@H](CN1CCOCC1)[*:1]
Cc1cccc(CNc2nc3sc4c(c3c(=O)n2C(C)C)CCCC4)c1 Cc1cccc(c1)[*:1] CC(C)n1c(nc2sc3CCCCc3c2c1=O)NC[*:1]
Cc1cccc(CNc2nc3sc4c(c3c(=O)n2C(C)C)CCCC4)c1 Cc1cccc(c1)C[*:1] CC(C)n1c(nc2sc3CCCCc3c2c1=O)N[*:1]
Cc1cccc(CNc2nc3sc4c(c3c(=O)n2C(C)C)CCCC4)c1 CC(C)[*:1] Cc1cccc(c1)CNc1nc2sc3CCCCc3c2c(=O)n1[*:1]
C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@@H](Sc1nc(n[nH]1)-c1ccccc1F)C(=O)N[*:1]
C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccc2c(c1)OCO2 Fc1ccccc1[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)Nc1ccc2OCOc2c1
C[C@H]1CN(C(=O)C2CC2)[C@@H](C)CN1C(=O)C1CC1 C1CC1[*:1] C[C@H]1CN(C(=O)[*:1])[C@@H](C)CN1C(=O)C1CC1
Cc1nn(C)c(Cl)c1CSc1nnnn1C(C)C CC(C)[*:1] Cc1nn(C)c(Cl)c1CSc1nnnn1[*:1]
CCN(CCC#N)C(=O)c1ccncc1/C=C/C(=O)[O-] N#CC[*:1] CCN(C[*:1])C(=O)c1ccncc1/C=C/C(=O)[O-]
CCN(CCC#N)C(=O)c1ccncc1/C=C/C(=O)[O-] O=C([O-])[*:1] CCN(CCC#N)C(=O)c1ccncc1C=C[*:1]
CCN(CCC#N)C(=O)c1ccncc1/C=C/C(=O)[O-] N#CCC[*:1] CCN(C(=O)c1ccncc1/C=C/C(=O)[O-])[*:1]
CCN(CCC#N)C(=O)c1ccncc1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] CCN(CCC#N)C(=O)c1ccncc1[*:1]
CNC(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 CNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2ccccc2oc1=O
CCOc1ncccc1CNC(=O)N1[C@@H](C)CCC[C@H]1C CCO[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)NCc1cccnc1[*:1]
COC[C@](C)(CCO)[NH2+]Cc1c(Cl)ccc2cccnc12 COC[*:1] C[C@](CCO)([NH2+]Cc1c(Cl)ccc2cccnc12)[*:1]
COC[C@](C)(CCO)[NH2+]Cc1c(Cl)ccc2cccnc12 OCC[*:1] COC[C@](C)([NH2+]Cc1c(Cl)ccc2cccnc12)[*:1]
CCCCC1CCC(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)CC1 CCCC[*:1] Cc1ccc(cc1N1CCCC1=O)NC(=O)C1CCC(CC1)[*:1]
CCCCC1CCC(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)CC1 O=C1CCCN1[*:1] CCCCC1CCC(CC1)C(=O)Nc1ccc(C)c(c1)[*:1]
CCCCC1CCC(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)CC1 CCC[*:1] Cc1ccc(cc1N1CCCC1=O)NC(=O)C1CCC(CC1)C[*:1]
CCc1cnc(CN(C)C(=O)N[C@@H](Cc2ccccc2)C2CC2)s1 c1ccc(cc1)C[*:1] CCc1cnc(CN(C)C(=O)N[C@@H](C2CC2)[*:1])s1
CCc1cnc(CN(C)C(=O)N[C@@H](Cc2ccccc2)C2CC2)s1 CCc1cnc(s1)[*:1] CN(C[*:1])C(=O)N[C@@H](Cc1ccccc1)C1CC1
CCc1cnc(CN(C)C(=O)N[C@@H](Cc2ccccc2)C2CC2)s1 c1ccc(cc1)[*:1] CCc1cnc(CN(C)C(=O)N[C@@H](C[*:1])C2CC2)s1
CCc1cnc(CN(C)C(=O)N[C@@H](Cc2ccccc2)C2CC2)s1 C1CC1[*:1] CCc1cnc(CN(C)C(=O)N[C@@H](Cc2ccccc2)[*:1])s1
CCc1cnc(CN(C)C(=O)N[C@@H](Cc2ccccc2)C2CC2)s1 CCc1cnc(C[*:1])s1 CN(C(=O)N[C@@H](Cc1ccccc1)C1CC1)[*:1]
CCCN(CCO)C(=O)N[C@H](C)c1ccc(CC)cc1 OCC[*:1] CCCN(C(=O)N[C@H](C)c1ccc(cc1)CC)[*:1]
CCCN(CCO)C(=O)N[C@H](C)c1ccc(CC)cc1 CCC[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)N(CCO)[*:1]
CC(=O)NCCNC(=O)N[C@H](C)c1nc(C)cs1 Cc1csc(n1)[*:1] CC(=O)NCCNC(=O)N[C@H](C)[*:1]
CC(=O)NCCNC(=O)N[C@H](C)c1nc(C)cs1 CC(=O)N[*:1] Cc1csc(n1)[C@@H](C)NC(=O)NCC[*:1]
CC(=O)NCCNC(=O)N[C@H](C)c1nc(C)cs1 CC(=O)NC[*:1] Cc1csc(n1)[C@@H](C)NC(=O)NC[*:1]
CC(=O)NCCNC(=O)N[C@H](C)c1nc(C)cs1 CC(=O)NCC[*:1] Cc1csc(n1)[C@@H](C)NC(=O)N[*:1]
CC[C@@H](C)n1ccc(C[C@]2(CC(C)C)CCC[NH2+]2)n1 CC[C@@H](C)[*:1] CC(C)C[C@]1(CCC[NH2+]1)Cc1ccn(n1)[*:1]
CC[C@@H](C)n1ccc(C[C@]2(CC(C)C)CCC[NH2+]2)n1 CC(C)[*:1] CC[C@@H](C)n1ccc(C[C@@]2(CCC[NH2+]2)C[*:1])n1
CC[C@@H](C)n1ccc(C[C@]2(CC(C)C)CCC[NH2+]2)n1 CC(C)C[*:1] CC[C@@H](C)n1ccc(C[C@@]2(CCC[NH2+]2)[*:1])n1
CCn1nc(C)c2c(C(=O)N(C)Cc3cn(C)nc3C)cc(-c3ccc(C)cc3)nc21 Cc1ccc(cc1)[*:1] CCn1nc(C)c2c(cc(nc21)[*:1])C(=O)N(C)Cc1cn(C)nc1C
CCn1nc(C)c2c(C(=O)N(C)Cc3cn(C)nc3C)cc(-c3ccc(C)cc3)nc21 Cc1nn(C)cc1C[*:1] CCn1nc(C)c2c(cc(nc21)-c1ccc(C)cc1)C(=O)N(C)[*:1]
CCn1nc(C)c2c(C(=O)N(C)Cc3cn(C)nc3C)cc(-c3ccc(C)cc3)nc21 Cc1nn(C)cc1[*:1] CCn1nc(C)c2c(cc(nc21)-c1ccc(C)cc1)C(=O)N(C)C[*:1]
O=c1ccc2ccc(OCc3nc(-c4ccc(F)cc4)no3)cc2o1 Fc1ccc(cc1)[*:1] O=c1ccc2ccc(cc2o1)OCc1nc(no1)[*:1]
C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](c1nccs1)C1CC1 C1CC1[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](c1nccs1)[*:1]
C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](c1nccs1)C1CC1 c1csc(n1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C1CC1)[*:1]
C[C@H]1C[C@@H]([NH2+]Cc2ccn(-c3ccc(F)cc3)n2)c2ccccc2S1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@@H]([NH2+]Cc2ccn(n2)[*:1])c2ccccc2S1
O=C(NCCCCN1CCOCC1)NC[C@@H]1C[C@]12CCc1ccccc12 C1CN(CCO1)[*:1] O=C(NCCCC[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
O=C(NCCCCN1CCOCC1)NC[C@@H]1C[C@]12CCc1ccccc12 C1CN(CCO1)CC[*:1] O=C(NCC[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
O=C(NCCCCN1CCOCC1)NC[C@@H]1C[C@]12CCc1ccccc12 C1CN(CCO1)C[*:1] O=C(NCCC[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
COc1coc([C@H](O)[C@H](C)[N+](=O)[O-])cc1=O C[C@H]([N+](=O)[O-])[*:1] COc1coc(cc1=O)[C@H](O)[*:1]
COc1coc([C@H](O)[C@H](C)[N+](=O)[O-])cc1=O O=[N+]([O-])[*:1] COc1coc(cc1=O)[C@H](O)[C@H](C)[*:1]
CCOc1cccc([C@H](C)NC(=O)N[C@H]2CCC[C@@]2(C)CO)c1 CCO[*:1] C[C@H](NC(=O)N[C@H]1CCC[C@@]1(C)CO)c1cccc(c1)[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCCc1c(C)cccc1C CCc1nn(C)cc1[*:1] Cc1cccc(C)c1CCNC(=O)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCCc1c(C)cccc1C Cc1cccc(C)c1[*:1] CCc1nn(C)cc1NC(=O)C(=O)NCC[*:1]
CNC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CCC2 CNC(=O)[*:1] O=C(COc1ccc(Cl)cc1)Nc1sc2CCCc2c1[*:1]
CNC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CCC2 Clc1ccc(cc1)[*:1] CNC(=O)c1c(NC(=O)CO[*:1])sc2CCCc21
CNC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CCC2 Clc1ccc(cc1)O[*:1] CNC(=O)c1c(NC(=O)C[*:1])sc2CCCc21
[NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c2cccs2)O1 O=C([O-])C[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)N[C@H](c1cccs1)[*:1]
[NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c2cccs2)O1 O=C([O-])[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)N[C@H](C[*:1])c1cccs1
[NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c2cccs2)O1 c1csc(c1)[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)N[C@H](CC(=O)[O-])[*:1]
CC[C@@H](C)Sc1ccc(N)cc1OC CC[C@@H](C)[*:1] COc1cc(N)ccc1S[*:1]
CCOC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1 C1CC(CCO1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)N(C)C4CCCCC4)CC3)cc2NC1=O CN(C(=O)[*:1])C1CCCCC1 CC[C@@H]1Oc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)[*:1]
CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)N(C)C4CCCCC4)CC3)cc2NC1=O C1CCC(CC1)[*:1] CC[C@@H]1Oc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)N(C)[*:1]
CC[C@@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccc(C)c(F)c1 c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)NNC(=O)C[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccc(C)c(F)c1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)NNC(=O)CC[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccc(C)c(F)c1 c1ccc(cc1)CC[*:1] CC[C@@H](NC(=O)NNC(=O)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)NNC(=O)CCc1ccccc1)[*:1]
CC(=O)C1=C([O-])C(=O)N(CC[NH2+]CCO)[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(=O)C1=C([O-])C(=O)N(CC[NH2+]CCO)[C@H]1[*:1]
CC(=O)C1=C([O-])C(=O)N(CC[NH2+]CCO)[C@@H]1c1cccc(F)c1 OCC[*:1] CC(=O)C1=C([O-])C(=O)N(CC[NH2+][*:1])[C@@H]1c1cccc(F)c1
CC(=O)C1=C([O-])C(=O)N(CC[NH2+]CCO)[C@@H]1c1cccc(F)c1 CC(=O)[*:1] O=C1C([O-])=C([C@@H](c2cccc(F)c2)N1CC[NH2+]CCO)[*:1]
Cc1cscc1C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-] Cc1cscc1[*:1] O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)[*:1]
Cc1cscc1C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-] O=C([O-])[*:1] Cc1cscc1C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1[*:1]
COC(=O)/C([O-])=C/C(=O)c1ccc(OC(F)F)cc1 COC(=O)[*:1] O=C(/C=C(\[O-])[*:1])c1ccc(cc1)OC(F)F
COC(=O)/C([O-])=C/C(=O)c1ccc(OC(F)F)cc1 FC(F)[*:1] COC(=O)/C([O-])=C/C(=O)c1ccc(cc1)O[*:1]
COC(=O)/C([O-])=C/C(=O)c1ccc(OC(F)F)cc1 FC(F)O[*:1] COC(=O)/C([O-])=C/C(=O)c1ccc(cc1)[*:1]
Cc1nsc(N2CC[NH+]([C@@H]3CCC[C@H](C4CC4)C3)CC2)n1 C1CC1[*:1] Cc1nsc(n1)N1CC[NH+](CC1)[C@@H]1CCC[C@H](C1)[*:1]
Cc1nsc(N2CC[NH+]([C@@H]3CCC[C@H](C4CC4)C3)CC2)n1 Cc1nsc(n1)[*:1] C1C[C@@H](C[C@@H](C1)[NH+]1CCN(CC1)[*:1])C1CC1
COCc1cccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 COC[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@H]1c1nc2ccccc2s1
Cn1cc(CNC[C@H](c2ccccc2)[NH+]2CCCC2)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(CNC[C@H](c2ccccc2)[NH+]2CCCC2)c(n1)[*:1]
Cn1cc(CNC[C@H](c2ccccc2)[NH+]2CCCC2)c(-c2cccs2)n1 c1ccc(cc1)[*:1] Cn1cc(CNC[C@H]([NH+]2CCCC2)[*:1])c(n1)-c1cccs1
Cc1ccc(NC(=O)C[NH2+]CCc2ccccc2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)NC(=O)C[NH2+]C[*:1]
Cc1ccc(NC(=O)C[NH2+]CCc2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)C[NH2+]CC[*:1]
Cc1ccc(-c2cc3n(n2)CCCN(C(=O)Cc2ccsc2)C3)cc1 c1cc(cs1)C[*:1] Cc1ccc(cc1)-c1cc2CN(CCCn2n1)C(=O)[*:1]
Cc1ccc(-c2cc3n(n2)CCCN(C(=O)Cc2ccsc2)C3)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccsc1)N1CCCn2nc(cc2C1)[*:1]
Cc1ccc(-c2cc3n(n2)CCCN(C(=O)Cc2ccsc2)C3)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)-c1cc2CN(CCCn2n1)C(=O)C[*:1]
Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2ccsc2)c(=O)[nH]1 c1cc(cs1)[*:1] Cc1nc(C)c(CCC(=O)N2CCC[C@H]2[*:1])c(=O)[nH]1
N#C/C(C(N)=O)=c1/ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@]31N=2 NC(=O)[*:1] N#CC(=c1ccc2=N[C@@]34CCCC[C@H]3CC3CCCCC=3N4c2c1)[*:1]
CCN(C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1)S(C)(=O)=O N#Cc1ccc(cc1)[*:1] CCN(C1CC[NH+](CCC(=O)N[*:1])CC1)S(C)(=O)=O
CCN(C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] N#Cc1ccc(cc1)NC(=O)CC[NH+]1CCC(CC1)[*:1]
CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S c1ccc(cc1)C[*:1] CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(CC[*:1])C1=S
CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S c1ccc(cc1)[*:1] CN1C(=O)[C@@H](CC(=O)N[*:1])N(CCCc2ccccc2)C1=S
CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S O=C(Nc1ccccc1)[*:1] CN1C(=O)[C@@H](C[*:1])N(CCCc2ccccc2)C1=S
CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S c1ccc(cc1)CCC[*:1] CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(C1=S)[*:1]
CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S c1ccc(cc1)[*:1] CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(CCC[*:1])C1=S
CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S c1ccc(cc1)CC[*:1] CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(C[*:1])C1=S
CC(C)NC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 C1CC1[*:1] CC(C)NC(=O)N1CCC(CC1)c1nnc(Cn2ccnc2)n1[*:1]
CC(C)NC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 c1cn(cn1)[*:1] CC(C)NC(=O)N1CCC(CC1)c1nnc(C[*:1])n1C1CC1
CC(C)NC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 c1cn(cn1)C[*:1] CC(C)NC(=O)N1CCC(CC1)c1nnc(n1C1CC1)[*:1]
CC(C)NC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 CC(C)[*:1] O=C(N[*:1])N1CCC(CC1)c1nnc(Cn2ccnc2)n1C1CC1
CCOC(=O)C1=NN(c2ccc(OC(F)(F)F)cc2)[C@@](C)(C(=O)[O-])C1 FC(F)(F)[*:1] CCOC(=O)C1C[C@](C)(C(=O)[O-])N(N=1)c1ccc(cc1)O[*:1]
CCOC(=O)C1=NN(c2ccc(OC(F)(F)F)cc2)[C@@](C)(C(=O)[O-])C1 O=C([O-])[*:1] CCOC(=O)C1C[C@](C)(N(N=1)c1ccc(cc1)OC(F)(F)F)[*:1]
CCOC(=O)C1=NN(c2ccc(OC(F)(F)F)cc2)[C@@](C)(C(=O)[O-])C1 FC(F)(F)O[*:1] CCOC(=O)C1C[C@](C)(C(=O)[O-])N(N=1)c1ccc(cc1)[*:1]
CC(C)n1cc(NC(=O)NCCN2CCOCC2)cn1 C1CN(CCO1)[*:1] CC(C)n1cc(cn1)NC(=O)NCC[*:1]
CC(C)n1cc(NC(=O)NCCN2CCOCC2)cn1 CC(C)[*:1] O=C(NCCN1CCOCC1)Nc1cnn(c1)[*:1]
CCCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)cs1 CCC[*:1] COC(=O)c1ccc(cc1)NC(=O)c1csc(c1)[*:1]
CCCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)cs1 COC(=O)[*:1] CCCc1cc(cs1)C(=O)Nc1ccc(cc1)[*:1]
O=C(Cn1cnc([N+](=O)[O-])c1)NC(=O)NCCc1cccs1 c1csc(c1)C[*:1] O=C(Cn1cnc(c1)[N+](=O)[O-])NC(=O)NC[*:1]
O=C(Cn1cnc([N+](=O)[O-])c1)NC(=O)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(Cn1cnc(c1)[N+](=O)[O-])NC(=O)N[*:1]
O=C(Cn1cnc([N+](=O)[O-])c1)NC(=O)NCCc1cccs1 O=[N+]([O-])[*:1] O=C(Cn1cnc(c1)[*:1])NC(=O)NCCc1cccs1
O=C(Cn1cnc([N+](=O)[O-])c1)NC(=O)NCCc1cccs1 c1csc(c1)[*:1] O=C(Cn1cnc(c1)[N+](=O)[O-])NC(=O)NCC[*:1]
COc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 C1CO[C@H](C1)C[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
COc1ccc([C@H](NC(=O)N2CCC(C(=O)N(C)C)CC2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)C(=O)N(C)C)[*:1]
COc1ccc([C@H](NC(=O)N2CCC(C(=O)N(C)C)CC2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](NC(=O)N1CCC(CC1)C(=O)N(C)C)[*:1]
COc1ccc([C@H](NC(=O)N2CCC(C(=O)N(C)C)CC2)C(C)C)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)[C@H](NC(=O)N1CCC(CC1)[*:1])C(C)C
CC(=O)c1ccc(NC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1C Oc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N1CCC(CC1)[*:1]
CC(=O)c1ccc(NC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CCC(CC1)c1ccc(O)cc1
Cc1ccc(-c2cc3n(n2)CCC(=O)N3CC(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)-c1cc2N(CC(=O)N3CCN([C@@H](C)C3)[*:1])C(=O)CCn2n1
Cc1ccc(-c2cc3n(n2)CCC(=O)N3CC(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)N1CCN(C[C@@H]1C)C(=O)CN1C(=O)CCn2nc(cc21)[*:1]
CCn1c(SCC(=O)c2cccc(OC)c2)nc2c1c(=O)n(C)c(=O)n2C COc1cccc(c1)[*:1] CCn1c(nc2c1c(=O)n(C)c(=O)n2C)SCC(=O)[*:1]
CCn1cc[nH+]c1CN(C)C(=O)CN1C[C@@H](Cc2ccccc2)CC1=O c1ccc(cc1)[*:1] CCn1cc[nH+]c1CN(C)C(=O)CN1C[C@H](CC1=O)C[*:1]
CCn1cc[nH+]c1CN(C)C(=O)CN1C[C@@H](Cc2ccccc2)CC1=O c1ccc(cc1)C[*:1] CCn1cc[nH+]c1CN(C)C(=O)CN1C[C@@H](CC1=O)[*:1]
COC(=O)[C@H](NC(=O)COc1ccc(F)cc1Cl)C(C)C COC(=O)[*:1] CC(C)[C@@H](NC(=O)COc1ccc(F)cc1Cl)[*:1]
COC(=O)[C@H](NC(=O)COc1ccc(F)cc1Cl)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)COc1ccc(F)cc1Cl)[*:1]
Cc1cccc(Nc2ncnc(N3CCCC[C@H]3C)c2[N+](=O)[O-])c1 Cc1cccc(c1)[*:1] C[C@@H]1CCCCN1c1ncnc(N[*:1])c1[N+](=O)[O-]
Cc1cccc(Nc2ncnc(N3CCCC[C@H]3C)c2[N+](=O)[O-])c1 C[C@@H]1CCCCN1[*:1] Cc1cccc(c1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1cccc(Nc2ncnc(N3CCCC[C@H]3C)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cccc(c1)Nc1ncnc(c1[*:1])N1CCCC[C@H]1C
Cc1cccc(Nc2ncnc(N3CCCC[C@H]3C)c2[N+](=O)[O-])c1 Cc1cccc(c1)N[*:1] C[C@@H]1CCCCN1c1ncnc(c1[N+](=O)[O-])[*:1]
c1ccc(-c2csc3nc(-c4cccnc4)nc(NC4CC4)c23)cc1 C1CC1N[*:1] c1ccc(cc1)-c1csc2nc(nc(c12)[*:1])-c1cccnc1
c1ccc(-c2csc3nc(-c4cccnc4)nc(NC4CC4)c23)cc1 c1ccc(cc1)[*:1] c1cncc(c1)-c1nc(NC2CC2)c2c(csc2n1)[*:1]
c1ccc(-c2csc3nc(-c4cccnc4)nc(NC4CC4)c23)cc1 C1CC1[*:1] c1ccc(cc1)-c1csc2nc(nc(N[*:1])c12)-c1cccnc1
c1ccc(-c2csc3nc(-c4cccnc4)nc(NC4CC4)c23)cc1 c1cncc(c1)[*:1] c1ccc(cc1)-c1csc2nc(nc(NC3CC3)c12)[*:1]
C#CC(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] C#CC(=O)c1cc(ccc1F)[*:1]
C#CC(=O)c1cc(C(F)(F)F)ccc1F C#CC(=O)[*:1] Fc1ccc(cc1[*:1])C(F)(F)F
COC(C)(C)c1noc([C@@]2(C)CCC[NH2+]2)n1 COC(C)(C)[*:1] C[C@@]1(CCC[NH2+]1)c1nc(no1)[*:1]
C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1 C=C(C)[*:1] CC1=CC[C@H](C[C@@H]1O)[*:1]
CCCCc1ccc(NC(=O)N(C)Cc2cc(C)on2)cc1 CCC[*:1] Cc1cc(CN(C)C(=O)Nc2ccc(cc2)C[*:1])no1
CCCCc1ccc(NC(=O)N(C)Cc2cc(C)on2)cc1 CCCC[*:1] Cc1cc(CN(C)C(=O)Nc2ccc(cc2)[*:1])no1
CCCCc1ccc(NC(=O)N(C)Cc2cc(C)on2)cc1 Cc1cc(no1)[*:1] CCCCc1ccc(cc1)NC(=O)N(C)C[*:1]
CCCCc1ccc(NC(=O)N(C)Cc2cc(C)on2)cc1 Cc1cc(C[*:1])no1 CCCCc1ccc(cc1)NC(=O)N(C)[*:1]
COCCCNC(=O)Nc1cccc(C)c1 COCCC[*:1] Cc1cccc(c1)NC(=O)N[*:1]
COCCCNC(=O)Nc1cccc(C)c1 COCC[*:1] Cc1cccc(c1)NC(=O)NC[*:1]
COCCCNC(=O)Nc1cccc(C)c1 COC[*:1] Cc1cccc(c1)NC(=O)NCC[*:1]
Cc1nnc(SCc2nc(-c3cccs3)n[nH]2)n1[C@@H]1CCC[C@H](C)C1 c1csc(c1)[*:1] Cc1nnc(SCc2nc(n[nH]2)[*:1])n1[C@@H]1CCC[C@H](C)C1
CO[C@H](CNC(=O)N(CCO)C1CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@H](CNC(=O)N(CCO)C1CC1)[*:1]
CO[C@H](CNC(=O)N(CCO)C1CC1)c1cccc(Cl)c1 OCC[*:1] CO[C@H](CNC(=O)N(C1CC1)[*:1])c1cccc(Cl)c1
CO[C@H](CNC(=O)N(CCO)C1CC1)c1cccc(Cl)c1 C1CC1[*:1] CO[C@H](CNC(=O)N(CCO)[*:1])c1cccc(Cl)c1
COc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 Fc1ccccc1C[*:1] COc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(c1)[*:1]
COc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 COc1ccc(Cl)cc1[*:1] O=C(N[*:1])c1ccc(=O)n(c1)Cc1ccccc1F
COc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 Fc1ccccc1[*:1] COc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(c1)C[*:1]
COc1ccccc1[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1F)c1nccn1C COc1ccccc1[*:1] Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccc(F)cc1F)[*:1]
COc1ccccc1[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1F)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1F)[*:1]
COc1ccccc1[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1F)c1nccn1C Fc1ccc(c(F)c1)[*:1] COc1ccccc1[C@@H](NC(=O)CNC(=O)[*:1])c1nccn1C
N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cc(ccc1Cl)[*:1]
Cc1cccc(-c2nnc([C@H](C)[NH+]3CCN(CC(=O)Nc4ccccc4Cl)CC3)o2)c1 Cc1cccc(c1)[*:1] C[C@@H](c1nnc(o1)[*:1])[NH+]1CCN(CC1)CC(=O)Nc1ccccc1Cl
Cc1cccc(-c2nnc([C@H](C)[NH+]3CCN(CC(=O)Nc4ccccc4Cl)CC3)o2)c1 O=C(Nc1ccccc1Cl)[*:1] Cc1cccc(c1)-c1nnc(o1)[C@H](C)[NH+]1CCN(CC1)C[*:1]
Cc1cccc(-c2nnc([C@H](C)[NH+]3CCN(CC(=O)Nc4ccccc4Cl)CC3)o2)c1 Clc1ccccc1[*:1] Cc1cccc(c1)-c1nnc(o1)[C@H](C)[NH+]1CCN(CC1)CC(=O)N[*:1]
Cc1cc(C#N)cc(C)c1OC(=O)CCCn1ccnn1 c1cn(nn1)[*:1] Cc1cc(C#N)cc(C)c1OC(=O)CCC[*:1]
Cc1cc(C#N)cc(C)c1OC(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 Cc1cc(C#N)cc(C)c1OC(=O)CC[*:1]
Cc1cc(C#N)cc(C)c1OC(=O)CCCn1ccnn1 c1cn(CC[*:1])nn1 Cc1cc(C#N)cc(C)c1OC(=O)C[*:1]
Cc1ccc([C@H](C)[C@@H](C)Cl)cc1 C[C@@H](Cl)[*:1] Cc1ccc(cc1)[C@H](C)[*:1]
NC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 c1cc(co1)[*:1] NC(=O)Nc1ccc(cc1)CNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
NC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 NC(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1CCCN(C1)C(=O)c1ccoc1
Cc1cc(-c2ccc(S(C)(=O)=O)cc2)nc(-c2ccccc2O)n1 Oc1ccccc1[*:1] Cc1cc(nc(n1)[*:1])-c1ccc(cc1)S(C)(=O)=O
Cc1cc(-c2ccc(S(C)(=O)=O)cc2)nc(-c2ccccc2O)n1 CS(=O)(=O)[*:1] Cc1cc(nc(n1)-c1ccccc1O)-c1ccc(cc1)[*:1]
CC(C)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 CC(C)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NC[*:1]
CC(C)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)CNC(=O)/C=C/c1cccc(c1)[*:1]
CC(C)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 CC(C)C[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])N[*:1]
O=C(Cc1cccs1)Nc1ccccc1C(=O)NC1CCCCC1 c1csc(c1)C[*:1] O=C(NC1CCCCC1)c1ccccc1NC(=O)[*:1]
O=C(Cc1cccs1)Nc1ccccc1C(=O)NC1CCCCC1 c1csc(c1)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NC1CCCCC1
O=C(Cc1cccs1)Nc1ccccc1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1cccs1)Nc1ccccc1C(=O)N[*:1]
CNC(=O)c1nc(-c2cnccn2)no1 CNC(=O)[*:1] c1cnc(cn1)-c1noc(n1)[*:1]
Cc1ccc(C)c(NC(=O)NC[C@H](c2cccnc2)c2cn(C)c3ccccc23)c1 Cn1cc(c2ccccc21)[*:1] Cc1ccc(C)c(c1)NC(=O)NC[C@H](c1cccnc1)[*:1]
Cc1ccc(C)c(NC(=O)NC[C@H](c2cccnc2)c2cn(C)c3ccccc23)c1 Cc1ccc(C)c(c1)[*:1] Cn1cc(c2ccccc21)[C@H](CNC(=O)N[*:1])c1cccnc1
Cc1ccc(C)c(NC(=O)NC[C@H](c2cccnc2)c2cn(C)c3ccccc23)c1 c1cncc(c1)[*:1] Cc1ccc(C)c(c1)NC(=O)NC[C@H](c1cn(C)c2ccccc12)[*:1]
Cc1cccc(N2CCN(c3ncnc(NCCCN4CCOCC4)c3N)CC2)c1C Cc1cccc(c1C)[*:1] Nc1c(ncnc1N1CCN(CC1)[*:1])NCCCN1CCOCC1
Cc1cccc(N2CCN(c3ncnc(NCCCN4CCOCC4)c3N)CC2)c1C C(CN1CCOCC1)C[*:1] Cc1cccc(c1C)N1CCN(CC1)c1ncnc(N[*:1])c1N
Cc1cccc(N2CCN(c3ncnc(NCCCN4CCOCC4)c3N)CC2)c1C C(CN[*:1])CN1CCOCC1 Cc1cccc(c1C)N1CCN(CC1)c1ncnc(c1N)[*:1]
Cc1cccc(N2CCN(c3ncnc(NCCCN4CCOCC4)c3N)CC2)c1C C1CN(CCO1)CC[*:1] Cc1cccc(c1C)N1CCN(CC1)c1ncnc(NC[*:1])c1N
Cc1cccc(N2CCN(c3ncnc(NCCCN4CCOCC4)c3N)CC2)c1C C1CN(CCO1)C[*:1] Cc1cccc(c1C)N1CCN(CC1)c1ncnc(NCC[*:1])c1N
Cc1cccc(N2CCN(c3ncnc(NCCCN4CCOCC4)c3N)CC2)c1C C1CN(CCO1)[*:1] Cc1cccc(c1C)N1CCN(CC1)c1ncnc(NCCC[*:1])c1N
CC[C@]1(C)NC(=O)N(CC(=O)N(CC2CC2)C2CCCCC2)C1=O C1CC1C[*:1] CC[C@]1(C)NC(=O)N(CC(=O)N(C2CCCCC2)[*:1])C1=O
CC[C@]1(C)NC(=O)N(CC(=O)N(CC2CC2)C2CCCCC2)C1=O C1CCC(CC1)[*:1] CC[C@]1(C)NC(=O)N(CC(=O)N(CC2CC2)[*:1])C1=O
CC[C@]1(C)NC(=O)N(CC(=O)N(CC2CC2)C2CCCCC2)C1=O C1CC1[*:1] CC[C@]1(C)NC(=O)N(CC(=O)N(C[*:1])C2CCCCC2)C1=O
C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] C[C@H](c1nc2ccccc2s1)N(C)C(=O)C=C[*:1]
CN(CCOc1ccccc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 c1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)c1ccc(Cl)c(c1)NC(=O)c1cccs1
CN(CCOc1ccccc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] CN(CCOc1ccccc1)C(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
CN(CCOc1ccccc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)c1ccc(Cl)c(c1)NC(=O)c1cccs1
CN(CCOc1ccccc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 CN(CCOc1ccccc1)C(=O)c1ccc(Cl)c(c1)[*:1]
CN(CCOc1ccccc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 c1ccc(cc1)OC[*:1] CN(C[*:1])C(=O)c1ccc(Cl)c(c1)NC(=O)c1cccs1
CN(CCOc1ccccc1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 c1ccc(cc1)OCC[*:1] CN(C(=O)c1ccc(Cl)c(c1)NC(=O)c1cccs1)[*:1]
CC[C@@H](C)[C@@H](C(=O)N(C)CC(=O)Nc1c(C)cccc1C)c1ccccc1 CC[C@@H](C)[*:1] Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](c1ccccc1)[*:1]
CC[C@@H](C)[C@@H](C(=O)N(C)CC(=O)Nc1c(C)cccc1C)c1ccccc1 Cc1cccc(C)c1[*:1] CC[C@@H](C)[C@@H](C(=O)N(C)CC(=O)N[*:1])c1ccccc1
CC[C@@H](C)[C@@H](C(=O)N(C)CC(=O)Nc1c(C)cccc1C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](C(=O)N(C)CC(=O)Nc1c(C)cccc1C)[*:1]
Cc1n[nH]c(C)c1CCC(=O)NC[C@H]1CCCc2ccccc21 Cc1n[nH]c(C)c1[*:1] O=C(CC[*:1])NC[C@H]1CCCc2ccccc21
CC(C)[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O O=C(Nc1ccc(F)cc1)[*:1] CC(C)[C@@H](N1C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O)[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O CC(C)[*:1] C[C@]12C(=O)N(C(=O)N1CCC1=c3ccccc3=[NH+][C@H]12)[C@H](C(=O)Nc1ccc(F)cc1)[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O Fc1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)N[*:1])N1C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O
C=CCOC(=O)[C@@H]1C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 C=CC[*:1] CC1=NC2CCCC(=O)C=2[C@H](c2ccc(C)cc2)[C@@H]1C(=O)O[*:1]
C=CCOC(=O)[C@@H]1C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 C=CCOC(=O)[*:1] CC1=NC2CCCC(=O)C=2[C@H](c2ccc(C)cc2)[C@@H]1[*:1]
C=CCOC(=O)[C@@H]1C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] C=CCOC(=O)[C@@H]1C(C)=NC2CCCC(=O)C=2[C@H]1[*:1]
CSCC(=O)N1CCN(C)[C@]2(CCC(=O)N(CC3CC3)CC2)C1 C1CC1C[*:1] CSCC(=O)N1CCN(C)[C@]2(CCC(=O)N(CC2)[*:1])C1
CSCC(=O)N1CCN(C)[C@]2(CCC(=O)N(CC3CC3)CC2)C1 CSC[*:1] CN1CCN(C[C@@]12CCC(=O)N(CC2)CC1CC1)C(=O)[*:1]
CSCC(=O)N1CCN(C)[C@]2(CCC(=O)N(CC3CC3)CC2)C1 C1CC1[*:1] CSCC(=O)N1CCN(C)[C@]2(CCC(=O)N(CC2)C[*:1])C1
C[C@@](Nc1ccc([N+](=O)[O-])nc1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@](Nc1ccc(nc1)[N+](=O)[O-])(C(F)(F)F)[*:1]
C[C@@](Nc1ccc([N+](=O)[O-])nc1)(C(=O)[O-])C(F)(F)F O=[N+]([O-])[*:1] C[C@@](Nc1ccc(nc1)[*:1])(C(=O)[O-])C(F)(F)F
C[C@@](Nc1ccc([N+](=O)[O-])nc1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@](Nc1ccc(nc1)[N+](=O)[O-])(C(=O)[O-])[*:1]
O=C(Cc1ccc2ccccc2c1)NNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Cc1ccc2ccccc2c1)NNC(=O)[*:1]
CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc(N)s2)cs1 CCc1ccccc1[*:1] CC(=O)N(c1nc(cs1)CSc1nnc(N)s1)[*:1]
CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc(N)s2)cs1 Nc1nnc(S[*:1])s1 CCc1ccccc1N(C(C)=O)c1nc(cs1)C[*:1]
CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc(N)s2)cs1 Nc1nnc(s1)[*:1] CCc1ccccc1N(C(C)=O)c1nc(cs1)CS[*:1]
CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc(N)s2)cs1 Nc1nnc(SC[*:1])s1 CCc1ccccc1N(C(C)=O)c1nc(cs1)[*:1]
[NH3+]CCCOC1CCN(CC[NH+]2CCCCC2)CC1 [NH3+]CCC[*:1] C1CC[NH+](CC1)CCN1CCC(CC1)O[*:1]
[NH3+]CCCOC1CCN(CC[NH+]2CCCCC2)CC1 [NH3+]CCCO[*:1] C1CC[NH+](CC1)CCN1CCC(CC1)[*:1]
[NH3+]CCCOC1CCN(CC[NH+]2CCCCC2)CC1 [NH3+]CC[*:1] C1CC[NH+](CC1)CCN1CCC(CC1)OC[*:1]
Cc1cc(C(=O)N2CCC(CNC(=O)c3cc(=O)c4ccccc4o3)CC2)no1 Cc1cc(no1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1cc(=O)c2ccccc2o1
C[C@@H]1C[C@@H](C)CN(C(=O)CSc2csc(C(=O)[O-])c2)C1 O=C([O-])[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CSc1csc(c1)[*:1]
COC(=O)c1c(NC(=O)c2scnc2C)sc(C)c1C COC(=O)[*:1] Cc1ncsc1C(=O)Nc1sc(C)c(C)c1[*:1]
COC(=O)c1c(NC(=O)c2scnc2C)sc(C)c1C Cc1ncsc1[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C)c1C
N#C[C@]1(N)CCC[C@H]1CCOc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] N#C[C@]1(N)CCC[C@H]1CCOc1ccc(cc1)[*:1]
COc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(NC2C(=O)N(C(=O)C=2Cl)[*:1])c(c1)OC
O=S(=O)(c1ccc(F)c(F)c1)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=S(=O)(c1ccc(F)c(F)c1)N1CCC(O)(CC1)[*:1]
C[NH2+][C@@H](c1ccn(CC(=O)NC2CCOCC2)c1)C1CC1 C1CC1[*:1] C[NH2+][C@@H](c1ccn(c1)CC(=O)NC1CCOCC1)[*:1]
C[NH2+][C@@H](c1ccn(CC(=O)NC2CCOCC2)c1)C1CC1 C1CC(CCO1)[*:1] C[NH2+][C@@H](c1ccn(c1)CC(=O)N[*:1])C1CC1
COc1ccc(CC(=O)NCc2ccccc2F)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)CC(=O)NC[*:1]
CN1C(=O)[C@H]2C=CC=C[C@@H]2N=C1SCc1ccccc1Br Brc1ccccc1[*:1] CN1C(=O)[C@H]2C=CC=C[C@@H]2N=C1SC[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 Cc1ccc(cc1C)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@H](C)N(S(C)(=O)=O)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 CC(=O)N[*:1] Cc1ccc(cc1C)N([C@@H](C)C(=O)Nc1ccc(cc1)[*:1])S(C)(=O)=O
COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc(OC)c(OC)c3)c(=O)c2[C@H]1c1ccccc1 COc1ccc(cc1OC)C[*:1] COC(=O)C1=C(N)Oc2cc(C)n(c(=O)c2[C@H]1c1ccccc1)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc(OC)c(OC)c3)c(=O)c2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc(OC)c(c3)OC)c(=O)c2[C@@H]1[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc(OC)c(OC)c3)c(=O)c2[C@H]1c1ccccc1 COC(=O)[*:1] COc1ccc(cc1OC)Cn1c(C)cc2OC(N)=C([C@H](c3ccccc3)c2c1=O)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc(OC)c(OC)c3)c(=O)c2[C@H]1c1ccccc1 COc1ccc(cc1OC)[*:1] COC(=O)C1=C(N)Oc2cc(C)n(C[*:1])c(=O)c2[C@H]1c1ccccc1
COC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O Clc1ccc(cc1Cl)[*:1] COC(=O)c1ccccc1NC(=O)CN(S(C)(=O)=O)[*:1]
COC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O COC(=O)[*:1] CS(=O)(=O)N(CC(=O)Nc1ccccc1[*:1])c1ccc(Cl)c(Cl)c1
COc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)/C(C)=N/NC(=O)[C@H]1C[C@H]1[*:1]
O=C1CC2(CC[NH+](Cc3ccco3)CC2)CN1Cc1cc(F)cc(F)c1 c1coc(c1)[*:1] O=C1CC2(CC[NH+](CC2)C[*:1])CN1Cc1cc(F)cc(F)c1
O=C1CC2(CC[NH+](Cc3ccco3)CC2)CN1Cc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C1CC2(CC[NH+](CC2)Cc2ccco2)CN1C[*:1]
O=C1CC2(CC[NH+](Cc3ccco3)CC2)CN1Cc1cc(F)cc(F)c1 c1coc(c1)C[*:1] O=C1CC2(CC[NH+](CC2)[*:1])CN1Cc1cc(F)cc(F)c1
N#CCCCn1c(=O)c(C#N)cn(C2CC2)c1=O N#CCCC[*:1] N#Cc1cn(c(=O)n(c1=O)[*:1])C1CC1
N#CCCCn1c(=O)c(C#N)cn(C2CC2)c1=O N#CC[*:1] N#Cc1cn(c(=O)n(CC[*:1])c1=O)C1CC1
N#CCCCn1c(=O)c(C#N)cn(C2CC2)c1=O C1CC1[*:1] N#CCCCn1c(=O)c(C#N)cn(c1=O)[*:1]
N#CCCCn1c(=O)c(C#N)cn(C2CC2)c1=O N#CCC[*:1] N#Cc1cn(c(=O)n(C[*:1])c1=O)C1CC1
CCOc1ccccc1C=NNc1nccs1 c1csc(n1)[*:1] CCOc1ccccc1C=NN[*:1]
CCOc1ccccc1C=NNc1nccs1 CCO[*:1] C(=NNc1nccs1)c1ccccc1[*:1]
CCOc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2C)cc1 CCO[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)[*:1])C(N)=O
CCOc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2C)cc1 NC(=O)[*:1] CCOc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)[*:1]
O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(Nc1ccc(cc1)C[NH+]1CCOCC1)[*:1]
CC(=O)c1csc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)n1 CC(=O)[*:1] O=C(Nc1nc(cs1)[*:1])c1cccc(c1)CS(=O)(=O)c1ccccc1
CC(=O)c1csc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)n1 CC(=O)c1csc(n1)[*:1] O=C(N[*:1])c1cccc(c1)CS(=O)(=O)c1ccccc1
CC(=O)c1csc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)n1 c1ccc(cc1)[*:1] CC(=O)c1csc(n1)NC(=O)c1cccc(c1)CS(=O)(=O)[*:1]
CC(=O)c1csc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)n1 O=S(=O)(c1ccccc1)[*:1] CC(=O)c1csc(n1)NC(=O)c1cccc(c1)C[*:1]
CCCCNC(=O)[C@@H](C)Oc1ccc(N)cc1C(=O)[O-] CCC[*:1] C[C@@H](Oc1ccc(N)cc1C(=O)[O-])C(=O)NC[*:1]
CCCCNC(=O)[C@@H](C)Oc1ccc(N)cc1C(=O)[O-] CCCC[*:1] C[C@@H](Oc1ccc(N)cc1C(=O)[O-])C(=O)N[*:1]
CCCCNC(=O)[C@@H](C)Oc1ccc(N)cc1C(=O)[O-] O=C([O-])[*:1] CCCCNC(=O)[C@@H](C)Oc1ccc(N)cc1[*:1]
Cc1cc2nc(C)c(CCC(=O)N3CCC(Nc4ccccc4)CC3)c(C)n2n1 c1ccc(cc1)N[*:1] Cc1cc2nc(C)c(CCC(=O)N3CCC(CC3)[*:1])c(C)n2n1
Cc1cc2nc(C)c(CCC(=O)N3CCC(Nc4ccccc4)CC3)c(C)n2n1 c1ccc(cc1)[*:1] Cc1cc2nc(C)c(CCC(=O)N3CCC(CC3)N[*:1])c(C)n2n1
Cc1ccc(OCCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c(C)c1 Cc1ccc(O[*:1])c(C)c1 O=C(CC[*:1])NCc1ccc([nH+]c1)N1CCOCC1
Cc1ccc(OCCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CCO[*:1])NCc1ccc([nH+]c1)N1CCOCC1
Cc1ccc(OCCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c(C)c1 C1CN(CCO1)[*:1] Cc1ccc(OCCC(=O)NCc2ccc([nH+]c2)[*:1])c(C)c1
CC(C)Cc1nc(N2CCN(C(=S)Nc3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2 CC(C)[*:1] CC1(C)Cc2c(C#N)c(nc(C[*:1])c2CO1)N1CCN(CC1)C(=S)Nc1ccccc1
CC(C)Cc1nc(N2CCN(C(=S)Nc3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2 c1ccc(cc1)[*:1] CC(C)Cc1nc(c(C#N)c2CC(C)(C)OCc12)N1CCN(CC1)C(=S)N[*:1]
CC(C)Cc1nc(N2CCN(C(=S)Nc3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2 CC(C)C[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)[*:1])N1CCN(CC1)C(=S)Nc1ccccc1
Cc1cccc(C(=O)/N=c2\sc(C)cn2Cc2ccccc2C(=O)NC2CC2)c1 Cc1cccc(c1)[*:1] Cc1cn(Cc2ccccc2C(=O)NC2CC2)/c(=N/C(=O)[*:1])s1
Cc1cccc(C(=O)/N=c2\sc(C)cn2Cc2ccccc2C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] Cc1cccc(c1)C(=O)/N=c1\sc(C)cn1Cc1ccccc1[*:1]
Cc1cccc(C(=O)/N=c2\sc(C)cn2Cc2ccccc2C(=O)NC2CC2)c1 C1CC1[*:1] Cc1cccc(c1)C(=O)/N=c1\sc(C)cn1Cc1ccccc1C(=O)N[*:1]
Cc1cc(C)n(C2CN(Cc3ccc(C#N)cc3F)C2)n1 Cc1cc(C)n(n1)[*:1] N#Cc1ccc(CN2CC(C2)[*:1])c(F)c1
COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)Cc3ccccn3)C1)CNC2=O c1ccc(nc1)[*:1] COc1ccc2C(=O)NC[C@]3(CCCN(C3)C(=O)C[*:1])Oc2c1
COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)Cc3ccccn3)C1)CNC2=O c1ccc(C[*:1])nc1 COc1ccc2C(=O)NC[C@]3(CCCN(C3)C(=O)[*:1])Oc2c1
CCN(c1ccccc1OC)C(F)(F)F FC(F)(F)[*:1] CCN(c1ccccc1OC)[*:1]
Cc1cc(C)c(C[S@](=O)CC(=O)N(C)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(C[S@](=O)CC(=O)N(C)[*:1])c(C)c1
COCC(=O)NCCO[C@@H]1CCCC[C@H]1C COC[*:1] C[C@@H]1CCCC[C@H]1OCCNC(=O)[*:1]
Cc1cnccc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl Cc1cnccc1C[*:1] CN(C(=O)C[C@H](c1ccccc1)c1ccccc1Cl)[*:1]
Cc1cnccc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl Clc1ccccc1[*:1] Cc1cnccc1CN(C)C(=O)C[C@H](c1ccccc1)[*:1]
Cc1cnccc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl c1ccc(cc1)[*:1] Cc1cnccc1CN(C)C(=O)C[C@H](c1ccccc1Cl)[*:1]
Cc1cnccc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl Cc1cnccc1[*:1] CN(C[*:1])C(=O)C[C@H](c1ccccc1)c1ccccc1Cl
COc1cc(C[NH+]2CC(C)(C)C2(C)C)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(cc(c1O)[*:1])C[NH+]1CC(C)(C)C1(C)C
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)C[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)C2CCC2)CC1 CCOC[C@@H](O)[*:1] O=C(C1CCC1)N1CCN(CC1)C[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)C2CCC2)CC1 CCOC[*:1] O=C(C1CCC1)N1CCN(CC1)C[C@H](O)[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)C2CCC2)CC1 CCO[*:1] O=C(C1CCC1)N1CCN(CC1)C[C@H](O)C[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)C2CCC2)CC1 C1CC(C1)[*:1] CCOC[C@@H](O)CN1CCN(CC1)C(=O)[*:1]
Cc1cc2nc([C@@H](NC(=O)C[C@H]3CCS(=O)(=O)C3)C(C)C)cc(O)n2n1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1cc2nc(cc(O)n2n1)[C@@H](NC(=O)C[*:1])C(C)C
Cc1cc2nc([C@@H](NC(=O)C[C@H]3CCS(=O)(=O)C3)C(C)C)cc(O)n2n1 CC(C)[*:1] Cc1cc2nc(cc(O)n2n1)[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc2nc([C@@H](NC(=O)C[C@H]3CCS(=O)(=O)C3)C(C)C)cc(O)n2n1 O=S1(=O)CC[C@@H](C1)C[*:1] Cc1cc2nc(cc(O)n2n1)[C@@H](NC(=O)[*:1])C(C)C
CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 CC(C)[*:1] O=C1C[C@H](c2ccc3OCOc3c2)c2cnn(c2N1)[*:1]
COC(=O)[C@H](C)OCOCc1ccccc1 COC(=O)[*:1] C[C@H](OCOCc1ccccc1)[*:1]
C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 C=CCn1c(C)nnc1[*:1] O=C(Nc1ccc(F)cc1)[C@H](S[*:1])c1ccccc1
C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] C=CCn1c(C)nnc1S[C@@H](C(=O)N[*:1])c1ccccc1
C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)[*:1]
C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 C=CC[*:1] Cc1nnc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1[*:1]
COC(=O)[C@H]1[NH+]=c2cccc(OC)c2=C1NC(=O)C[NH+]1CCN(c2ccccc2F)CC1 COC(=O)[*:1] COc1cccc2=[NH+][C@@H](C(NC(=O)C[NH+]3CCN(CC3)c3ccccc3F)=c12)[*:1]
COC(=O)[C@H]1[NH+]=c2cccc(OC)c2=C1NC(=O)C[NH+]1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] COC(=O)[C@H]1[NH+]=c2cccc(OC)c2=C1NC(=O)C[NH+]1CCN(CC1)[*:1]
COc1cc(C=O)c(Br)cc1OCc1cc(C)no1 Cc1cc(on1)[*:1] COc1cc(C=O)c(Br)cc1OC[*:1]
Cc1ccc(NC(=O)c2sc3nc(=O)c(C)nn3c2C(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1sc2nc(=O)c(C)nn2c1C(=O)N[*:1]
Cc1ccc(NC(=O)c2sc3nc(=O)c(C)nn3c2C(=O)Nc2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1nn2c(C(=O)Nc3ccc(F)cc3)c(sc2nc1=O)C(=O)N[*:1]
Cc1ccc(NC(=O)c2sc3nc(=O)c(C)nn3c2C(=O)Nc2ccc(F)cc2)cc1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccc(cc1)NC(=O)c1sc2nc(=O)c(C)nn2c1[*:1]
Cc1ccc(NC(=O)c2sc3nc(=O)c(C)nn3c2C(=O)Nc2ccc(F)cc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1nn2c(C(=O)Nc3ccc(F)cc3)c(sc2nc1=O)[*:1]
COC(=O)CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccccc1 c1ccc(cc1)[*:1] COC(=O)CN1C(=O)C[C@@H](SC1=N[*:1])C(=O)Nc1ccccc1F
COC(=O)CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccccc1 COC(=O)C[*:1] O=C(Nc1ccccc1F)[C@H]1CC(=O)N(/C(=N/c2ccccc2)S1)[*:1]
COC(=O)CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccccc1 COC(=O)[*:1] O=C(Nc1ccccc1F)[C@H]1CC(=O)N(C[*:1])/C(=N/c2ccccc2)S1
COC(=O)CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccccc1 Fc1ccccc1[*:1] COC(=O)CN1C(=O)C[C@@H](S/C1=N\c1ccccc1)C(=O)N[*:1]
Cc1ccnc(NNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1 CC(C)(C)[*:1] Cc1ccnc(c1)NNC(=O)CNC(=O)c1ccc(cc1)[*:1]
Cc1ccnc(NNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1 Cc1ccnc(c1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NCC(=O)NN[*:1]
Cc1cc(NC(=O)NC(=O)c2ccc(F)cc2F)n[nH]1 Cc1cc(n[nH]1)[*:1] O=C(NC(=O)c1ccc(F)cc1F)N[*:1]
Cc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)s2)c1 Cc1cccc(c1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CSc1nnc(N[*:1])s1)c2C(N)=O
Cc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)s2)c1 NC(=O)[*:1] Cc1cccc(c1)Nc1nnc(SCC(=O)Nc2sc3C[C@H](C)CCc3c2[*:1])s1
Cc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)s2)c1 Cc1cccc(c1)N[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CSc1nnc(s1)[*:1])c2C(N)=O
C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[*:1])C(=O)Nc1n[n-]c(n1)C(F)(F)F
C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 FC(F)(F)[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1n[n-]c(n1)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CCC2CC2)CC1 C1CC1[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)CC[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CCC2CC2)CC1 C1CC1CC[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CCC2CC2)CC1 O=C(N1CCCC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)CCC1CC1)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CCC2CC2)CC1 C1CC1C[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)C[*:1]
COc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3ccco3)C[C@H]21 c1coc(c1)[*:1] COc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(C[C@H]21)[*:1]
COc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3ccco3)C[C@H]21 Clc1cccc(c1)[*:1] COc1cccc2c1O[C@@H](N1N=C(C[C@H]21)c1ccco1)[*:1]
CCc1cnc(NC(=O)c2ccc(C)c(NC(C)=O)c2)s1 CCc1cnc(s1)[*:1] CC(=O)Nc1cc(ccc1C)C(=O)N[*:1]
CCc1cnc(NC(=O)c2ccc(C)c(NC(C)=O)c2)s1 CC(=O)N[*:1] CCc1cnc(NC(=O)c2ccc(C)c(c2)[*:1])s1
CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)N4CCc5ccccc54)c(=O)c23)C1 CC(C)(C)[*:1] O=C(Cn1nnc2sc3C[C@@H](CCc3c2c1=O)[*:1])N1CCc2ccccc21
O=C(NC1CCCC1)c1nnn(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)n1 c1ccc2oc(cc2c1)[*:1] O=C(NC1CCCC1)c1nnn(n1)-c1ccc(cc1)NC(=O)[*:1]
O=C(NC1CCCC1)c1nnn(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)n1 O=C(NC1CCCC1)[*:1] O=C(Nc1ccc(cc1)-n1nnc(n1)[*:1])c1cc2ccccc2o1
O=C(NC1CCCC1)c1nnn(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)n1 C1CCC(C1)[*:1] O=C(N[*:1])c1nnn(n1)-c1ccc(cc1)NC(=O)c1cc2ccccc2o1
O=C(CNC(=O)Cc1cccc(F)c1)NC[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CNC(=O)Cc1cccc(F)c1)NC[C@H](O)[*:1]
O=C(CNC(=O)Cc1cccc(F)c1)NC[C@H](O)c1ccc(Cl)cc1 Fc1cccc(c1)C[*:1] O=C(CNC(=O)[*:1])NC[C@H](O)c1ccc(Cl)cc1
O=C(CNC(=O)Cc1cccc(F)c1)NC[C@H](O)c1ccc(Cl)cc1 Fc1cccc(c1)[*:1] O=C(CNC(=O)C[*:1])NC[C@H](O)c1ccc(Cl)cc1
CC(C)c1c(C(=O)N(C)C)cnn1-c1ccc(C(F)(F)F)cn1 CN(C)C(=O)[*:1] CC(C)c1c(cnn1-c1ccc(cn1)C(F)(F)F)[*:1]
CC(C)c1c(C(=O)N(C)C)cnn1-c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] CC(C)c1c(cnn1-c1ccc(cn1)[*:1])C(=O)N(C)C
CC(C)c1c(C(=O)N(C)C)cnn1-c1ccc(C(F)(F)F)cn1 CC(C)[*:1] CN(C)C(=O)c1cnn(-c2ccc(cn2)C(F)(F)F)c1[*:1]
NC(=O)NC(=O)[C@H](c1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] NC(=O)NC(=O)[C@H](c1ccccc1)N1CC[NH+](CC1)[*:1]
NC(=O)NC(=O)[C@H](c1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)[*:1] NC(=O)NC(=O)[C@H](c1ccccc1)N1CC[NH+](CC1)C[*:1]
NC(=O)NC(=O)[C@H](c1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 NC(=O)NC(=O)[*:1] c1ccc(cc1)[C@H](N1CC[NH+](CC1)CC1CCCCC1)[*:1]
NC(=O)NC(=O)[C@H](c1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 c1ccc(cc1)[*:1] NC(=O)NC(=O)[C@H](N1CC[NH+](CC1)CC1CCCCC1)[*:1]
Cc1ccc(Cl)cc1NC(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(Cl)cc1NC(=O)c1ncccc1[*:1]
C#CCn1c(CCO)nc2cc(C)c(C)cc21 OCC[*:1] C#CCn1c(nc2cc(C)c(C)cc21)[*:1]
C#CCn1c(CCO)nc2cc(C)c(C)cc21 C#CC[*:1] Cc1cc2nc(CCO)n(c2cc1C)[*:1]
COc1cnc(NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)nc1 COc1cnc(nc1)[*:1] CN(C)C(=O)N1CCCn2nc(cc2C1)CN[*:1]
CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 CC[C@H](C)[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)[*:1]
CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 c1ccc(nc1)[*:1] CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(C#C[*:1])c1
CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 C(#C[*:1])c1ccccn1 CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
OCCn1ncc2c1CCC[C@@H]2Nc1nc2ccccc2o1 OCC[*:1] c1ccc2oc(nc2c1)N[C@H]1CCCc2c1cnn2[*:1]
O=C(NC1CCCC1)[C@H]1CCCN(c2nnc(N3CCCCC3=O)s2)C1 O=C1CCCCN1[*:1] O=C(NC1CCCC1)[C@H]1CCCN(C1)c1nnc(s1)[*:1]
O=C(NC1CCCC1)[C@H]1CCCN(c2nnc(N3CCCCC3=O)s2)C1 C1CCC(C1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nnc(s1)N1CCCCC1=O
O=C(NC1CCCC1)[C@H]1CCCN(c2nnc(N3CCCCC3=O)s2)C1 O=C(NC1CCCC1)[*:1] O=C1CCCCN1c1nnc(s1)N1CCC[C@@H](C1)[*:1]
CC(C)(C)c1noc(CCC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 CS(=O)(=O)[*:1] CC(C)(C)c1noc(CCC(=O)N[C@@H]2CCC[C@@H](C2)[*:1])n1
CC(C)(C)c1noc(CCC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 CC(C)(C)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)NC(=O)CCc1nc(no1)[*:1]
CC(C)OCCSc1nc(N)c(C#N)cc1C#N CC(C)OC[*:1] N#Cc1cc(C#N)c(nc1N)SC[*:1]
CC(C)OCCSc1nc(N)c(C#N)cc1C#N CC(C)OCC[*:1] N#Cc1cc(C#N)c(nc1N)S[*:1]
CC(C)OCCSc1nc(N)c(C#N)cc1C#N CC(C)O[*:1] N#Cc1cc(C#N)c(nc1N)SCC[*:1]
CC(C)OCCSc1nc(N)c(C#N)cc1C#N CC(C)[*:1] N#Cc1cc(C#N)c(nc1N)SCCO[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)CC[C@H](C)O)c1 C[C@H](O)CC[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)CC[C@H](C)O)c1 CCN(CC)C(=O)[*:1] C[C@H](O)CCC(=O)Nc1cccc(c1)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)CC[C@H](C)O)c1 C[C@H](O)[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)CC[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)CC[C@H](C)O)c1 C[C@H](O)C[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)C[*:1]
CCCNc1ncc(F)c(-c2cccs2)n1 CCCN[*:1] Fc1cnc(nc1-c1cccs1)[*:1]
CCCNc1ncc(F)c(-c2cccs2)n1 c1csc(c1)[*:1] CCCNc1ncc(F)c(n1)[*:1]
CCCNc1ncc(F)c(-c2cccs2)n1 CCC[*:1] Fc1cnc(nc1-c1cccs1)N[*:1]
COC(=O)c1cncc(Oc2cc(C)ccc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] COC(=O)c1cncc(n1)Oc1cc(C)ccc1[*:1]
COC(=O)c1cncc(Oc2cc(C)ccc2[N+](=O)[O-])n1 COC(=O)[*:1] Cc1ccc(c(c1)Oc1cncc(n1)[*:1])[N+](=O)[O-]
CCc1nc(-c2cccnc2)nc(Oc2ccc(C(=O)[O-])cc2)c1C O=C([O-])[*:1] CCc1nc(nc(Oc2ccc(cc2)[*:1])c1C)-c1cccnc1
CCc1nc(-c2cccnc2)nc(Oc2ccc(C(=O)[O-])cc2)c1C c1cncc(c1)[*:1] CCc1nc(nc(Oc2ccc(cc2)C(=O)[O-])c1C)[*:1]
Cc1ccccc1-c1noc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1 Cc1ccccc1[*:1] O=C(c1cc([nH]n1)C1CC1)N1CCN(CC1)Cc1nc(no1)[*:1]
Cc1ccccc1-c1noc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1 c1c(n[nH]c1C1CC1)[*:1] Cc1ccccc1-c1noc(CN2CCN(CC2)C(=O)[*:1])n1
Cc1ccccc1-c1noc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1 C1CC1[*:1] Cc1ccccc1-c1noc(CN2CCN(CC2)C(=O)c2cc([nH]n2)[*:1])n1
Cc1oc(-c2ccsc2)nc1CC(=O)NCCCc1nnc2n1CCCCC2 c1cc(cs1)[*:1] Cc1oc(nc1CC(=O)NCCCc1nnc2CCCCCn21)[*:1]
CCc1onc(C)c1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CCc1onc(C)c1NC(=O)[C@@H]1CCC[C@H](C1)[*:1]
O=C(NC1CC1)c1ccc(Oc2cccc(Cl)c2)o1 C1CC1[*:1] O=C(N[*:1])c1ccc(Oc2cccc(Cl)c2)o1
O=C(NC1CC1)c1ccc(Oc2cccc(Cl)c2)o1 O=C(NC1CC1)[*:1] Clc1cccc(c1)Oc1ccc(o1)[*:1]
O=C(Nc1ccccc1F)c1cccc(S(=O)(=O)N2CCCCCC2)c1 Fc1ccccc1[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCCCCC1
CCC[C@@]1(C(CC)CC)CCC[NH2+]1 CCC[*:1] CCC(CC)[C@]1(CCC[NH2+]1)[*:1]
Cc1nsc(N2CCN(C(=O)Nc3nnc(C(F)F)s3)CC2)n1 FC(F)[*:1] Cc1nsc(n1)N1CCN(CC1)C(=O)Nc1nnc(s1)[*:1]
Cc1nsc(N2CCN(C(=O)Nc3nnc(C(F)F)s3)CC2)n1 Cc1nsc(n1)[*:1] O=C(Nc1nnc(s1)C(F)F)N1CCN(CC1)[*:1]
COc1ccc2nc(NC(=O)[C@H](NC(=O)c3ccc(C)cc3)C(C)C)sc2c1 Cc1ccc(cc1)[*:1] COc1ccc2nc(NC(=O)[C@H](NC(=O)[*:1])C(C)C)sc2c1
COc1ccc2nc(NC(=O)[C@H](NC(=O)c3ccc(C)cc3)C(C)C)sc2c1 CC(C)[*:1] COc1ccc2nc(NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[*:1])sc2c1
Cc1nnsc1C(=O)N1[C@H](COc2ccc(F)cc2)[C@H]2CC[C@@H]1C2 Fc1ccc(cc1)[*:1] Cc1nnsc1C(=O)N1[C@H](CO[*:1])[C@H]2CC[C@@H]1C2
Cc1nnsc1C(=O)N1[C@H](COc2ccc(F)cc2)[C@H]2CC[C@@H]1C2 Cc1nnsc1[*:1] O=C(N1[C@H](COc2ccc(F)cc2)[C@H]2CC[C@@H]1C2)[*:1]
Cc1nnsc1C(=O)N1[C@H](COc2ccc(F)cc2)[C@H]2CC[C@@H]1C2 Fc1ccc(cc1)O[*:1] Cc1nnsc1C(=O)N1[C@H](C[*:1])[C@H]2CC[C@@H]1C2
O=C(Nc1nc2c(s1)CN(C(=O)Cc1ccc(Cl)cc1)CC2)[C@@H]1CCCO1 Clc1ccc(cc1)C[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])[C@@H]1CCCO1
O=C(Nc1nc2c(s1)CN(C(=O)Cc1ccc(Cl)cc1)CC2)[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)C[*:1])[C@@H]1CCCO1
CC(C)CCOc1ccc(NC(=O)NC[C@@H]2CCC[C@@H]2O)cc1 CC(C)CC[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)Nc1ccc(cc1)O[*:1]
CC(C)CCOc1ccc(NC(=O)NC[C@@H]2CCC[C@@H]2O)cc1 CC(C)[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)Nc1ccc(cc1)OCC[*:1]
CC(C)CCOc1ccc(NC(=O)NC[C@@H]2CCC[C@@H]2O)cc1 CC(C)CCO[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)Nc1ccc(cc1)[*:1]
CC(C)CCOc1ccc(NC(=O)NC[C@@H]2CCC[C@@H]2O)cc1 CC(C)C[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)Nc1ccc(cc1)OC[*:1]
CC[C@H]1CCCCN1c1cncc(C(=O)OC)n1 COC(=O)[*:1] CC[C@H]1CCCCN1c1cncc(n1)[*:1]
COc1ccc(F)c(NC(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)c1 O=C1CCCN1[*:1] COc1ccc(F)c(c1)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1ccc(F)c(NC(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)c1 COc1ccc(F)c(c1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)N1CCCC1=O
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)C2CCCCC2)CC1 COC(=O)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1NC(=O)C1CCCCC1)[*:1]
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1NC(=O)[*:1])C(=O)OC
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)C2CCCCC2)CC1 O=C(N[*:1])C1CCCCC1 CC[NH+]1CCN(CC1)c1ccc(cc1[*:1])C(=O)OC
Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2c2ncccn2)n1 c1cnc(nc1)[*:1] Cc1nc(cc(n1)[C@@H]1CCCN1[*:1])Nc1ncc(C)s1
Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2c2ncccn2)n1 Cc1cnc(N[*:1])s1 Cc1nc(cc(n1)[*:1])[C@@H]1CCCN1c1ncccn1
Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2c2ncccn2)n1 Cc1cnc(s1)[*:1] Cc1nc(cc(n1)[C@@H]1CCCN1c1ncccn1)N[*:1]
Cc1cccc(OC[C@@H](O)Cn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 Cc1cccc(c1)O[*:1] Cc1ccccc1N1C[C@@H](CC1=O)c1nc2ccccc2n1C[C@H](O)C[*:1]
Cc1cccc(OC[C@@H](O)Cn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 Cc1ccccc1[*:1] Cc1cccc(c1)OC[C@@H](O)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(OC[C@@H](O)Cn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 Cc1cccc(c1)[*:1] Cc1ccccc1N1C[C@@H](CC1=O)c1nc2ccccc2n1C[C@H](O)CO[*:1]
Cc1cccc(OC[C@@H](O)Cn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 Cc1cccc(c1)OC[*:1] Cc1ccccc1N1C[C@@H](CC1=O)c1nc2ccccc2n1C[C@H](O)[*:1]
CC(C)Oc1cc(CNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)ccn1 CC(C)O[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)NCc1ccnc(c1)[*:1]
CC(C)Oc1cc(CNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)ccn1 CC(C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)NCc1ccnc(c1)O[*:1]
CCOC(=O)[C@H]1C[NH2+]C[C@]12COc1ccccc1C(=O)N2 CCOC(=O)[*:1] O=C1N[C@@]2(C[NH2+]C[C@@H]2[*:1])COc2ccccc21
COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)C(C)(C)C)c2ncnn21 c1ccc(cc1)[*:1] COc1ccccc1[C@H]1C[C@@H](N(C(=O)C(C)(C)C)c2ncnn21)[*:1]
COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)C(C)(C)C)c2ncnn21 COc1ccccc1[*:1] CC(C)(C)C(=O)N1c2ncnn2[C@H](C[C@H]1c1ccccc1)[*:1]
COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)C(C)(C)C)c2ncnn21 CC(C)(C)[*:1] COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)[*:1])c2ncnn21
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2)C1=O COC(=O)[*:1] C[C@@H](N1C(=O)S/C(=C/c2ccccc2)C1=O)[*:1]
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2)C1=O COC(=O)[C@@H](C)[*:1] O=C1S/C(=C/c2ccccc2)C(=O)N1[*:1]
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2)C1=O c1ccc(cc1)[*:1] COC(=O)[C@@H](C)N1C(=O)SC(=C[*:1])C1=O
O=C(NCCc1c(F)cccc1F)c1ccccc1OC[C@H]1CCCO1 C1CO[C@H](C1)CO[*:1] O=C(NCCc1c(F)cccc1F)c1ccccc1[*:1]
O=C(NCCc1c(F)cccc1F)c1ccccc1OC[C@H]1CCCO1 Fc1cccc(F)c1[*:1] O=C(NCC[*:1])c1ccccc1OC[C@H]1CCCO1
CSc1ccc(CC(=O)N2CCC(Oc3nc4ccccc4s3)CC2)cc1 CSc1ccc(cc1)C[*:1] O=C(N1CCC(CC1)Oc1nc2ccccc2s1)[*:1]
CSc1ccc(CC(=O)N2CCC(Oc3nc4ccccc4s3)CC2)cc1 CSc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC(CC1)Oc1nc2ccccc2s1
CSc1ccc(CC(=O)N2CCC(Oc3nc4ccccc4s3)CC2)cc1 c1ccc2sc(nc2c1)[*:1] CSc1ccc(cc1)CC(=O)N1CCC(CC1)O[*:1]
Cc1nc2ccccn2c1C(=O)NNC(=O)/C=C/c1cccc(OC(C)C)c1 CC(C)O[*:1] Cc1nc2ccccn2c1C(=O)NNC(=O)/C=C/c1cccc(c1)[*:1]
Cc1nc2ccccn2c1C(=O)NNC(=O)/C=C/c1cccc(OC(C)C)c1 CC(C)[*:1] Cc1nc2ccccn2c1C(=O)NNC(=O)/C=C/c1cccc(c1)O[*:1]
Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1cccnc1 c1cncc(c1)[*:1] Cc1noc(C)c1S(=O)(=O)N[C@H](C)[*:1]
C[C@@H]1COC[C@@H](C)N1Cc1coc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] C[C@@H]1COC[C@@H](C)N1Cc1coc(n1)[*:1]
COc1cc([N+](=O)[O-])ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1OC(C)C O=[N+]([O-])[*:1] COc1cc(ccc1OC(C)C)[*:1]
Cc1cc(COC(=O)CCc2c[nH]c3ccccc23)on1 Cc1cc(on1)[*:1] O=C(CCc1c[nH]c2ccccc12)OC[*:1]
Cc1cc(COC(=O)CCc2c[nH]c3ccccc23)on1 Cc1cc(C[*:1])on1 O=C(CCc1c[nH]c2ccccc12)O[*:1]
C[C@H](N[C@@H](C)c1nc(-c2ccncc2)cs1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](N[C@@H](C)[*:1])c1nc(cs1)-c1ccncc1
C[C@H](N[C@@H](C)c1nc(-c2ccncc2)cs1)c1cccnc1 c1cc(ccn1)[*:1] C[C@H](N[C@@H](C)c1nc(cs1)[*:1])c1cccnc1
CCC1(CNC(=O)Nc2ccc(F)c(F)c2F)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])Nc1ccc(F)c(F)c1F
COC[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)c(F)c1 Clc1cccc(c1)[*:1] COC[C@@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])c1cccc(Cl)c1
O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@@H]1C[*:1]
O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@H]1[*:1]
O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@@H]1Cn1cccn1 Fc1ccc(cc1)[*:1] O=C(c1cncn1[*:1])N1CCC[C@@H]1Cn1cccn1
C[C@H]1OCC[C@@H]1C(=O)N1CCC[C@H](CCCc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCC[C@H](CC[*:1])C1
C[C@H]1OCC[C@@H]1C(=O)N1CCC[C@H](CCCc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCC[C@H](CCC[*:1])C1
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(-c3ccccc3)ns1)CS2 c1ccc(cc1)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1cc(ns1)[*:1]
CCC(C)(C)N(C)C(=O)/C=C/c1cccc(C)c1 CCC(C)(C)[*:1] Cc1cccc(/C=C/C(=O)N(C)[*:1])c1
CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc1 Cc1cc(no1)[*:1] CCOc1ccc(cc1)C(=O)O[C@H](C)C(=O)N[*:1]
CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc1 CCO[*:1] Cc1cc(no1)NC(=O)[C@@H](C)OC(=O)c1ccc(cc1)[*:1]
Cc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1C CN1CCN(CC1)S(=O)(=O)[*:1] Cc1cccc(OCC(=O)Nc2cc(ccc2Cl)[*:1])c1C
Cc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1C Cc1cccc(OC[*:1])c1C CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
Cc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1C Cc1cccc(c1C)[*:1] CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)NC(=O)CO[*:1]
Cc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1C Cc1cccc(O[*:1])c1C CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)NC(=O)C[*:1]
CN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)OCC(=O)N2 Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)c1ccc2NC(=O)COc2c1
COc1cccc([C@H](CNC(=O)c2cc(Cl)ccn2)[NH+]2CCCC2)c1 Clc1ccnc(c1)[*:1] COc1cccc(c1)[C@H](CNC(=O)[*:1])[NH+]1CCCC1
COc1cccc([C@H](CNC(=O)c2cc(Cl)ccn2)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1cc(Cl)ccn1
CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1 CCOc1cccc(c1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1 CCO[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
CCCN(C(=O)c1oc2ccccc2c1COC)[C@H]1CCS(=O)(=O)C1 CCC[*:1] COCc1c(oc2ccccc12)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCN(C(=O)c1oc2ccccc2c1COC)[C@H]1CCS(=O)(=O)C1 COC[*:1] CCCN(C(=O)c1oc2ccccc2c1[*:1])[C@H]1CCS(=O)(=O)C1
Nc1nc(CN2CCOC[C@H]2C2CC2)nc2sc3c(c12)CCCC3 C1CC1[*:1] Nc1nc(CN2CCOC[C@@H]2[*:1])nc2sc3CCCCc3c12
CC[C@]1(C)CCCN(C(=O)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)C1 Cc1nnc(o1)[*:1] CC[C@]1(C)CCCN(C1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
COC1CCN(c2ccc(F)cc2CN(C)c2nccc(C)n2)CC1 Cc1ccnc(n1)[*:1] COC1CCN(CC1)c1ccc(F)cc1CN(C)[*:1]
COC1CCN(c2ccc(F)cc2CN(C)c2nccc(C)n2)CC1 COC1CCN(CC1)[*:1] Cc1ccnc(n1)N(C)Cc1cc(F)ccc1[*:1]
C[C@@H](Cn1cccn1)NC(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 c1cnn(c1)C[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])c1ccc2OCCCOc2c1
C[C@@H](Cn1cccn1)NC(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 C[C@@H](Cn1cccn1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc2OCCCOc2c1
C[C@@H](Cn1cccn1)NC(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 c1cnn(c1)[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H](C)c1ccc2OCCCOc2c1
CCOC(=O)c1c(C)[nH]c2c1cc(O)c1c2c(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 CCOC(=O)[*:1] Cc1[nH]c2c(cc(O)c3c2c(nn3-c2ccccc2)-c2ccc(cc2)[N+](=O)[O-])c1[*:1]
CCOC(=O)c1c(C)[nH]c2c1cc(O)c1c2c(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 O=[N+]([O-])c1ccc(cc1)[*:1] CCOC(=O)c1c(C)[nH]c2c1cc(O)c1c2c(nn1-c1ccccc1)[*:1]
CCOC(=O)c1c(C)[nH]c2c1cc(O)c1c2c(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1c(C)[nH]c2c1cc(O)c1c2c(nn1[*:1])-c1ccc(cc1)[N+](=O)[O-]
CCOC(=O)c1c(C)[nH]c2c1cc(O)c1c2c(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 O=[N+]([O-])[*:1] CCOC(=O)c1c(C)[nH]c2c1cc(O)c1c2c(nn1-c1ccccc1)-c1ccc(cc1)[*:1]
CCNC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C CC(C)(C)[*:1] CCNC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CCNC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C CCNC(=O)N[*:1] CC(C)(C)[C@H](c1ccc(F)cc1)[*:1]
CCCNc1ncc(C[NH+]2CCC(CO)CC2)s1 CCC[*:1] OCC1CC[NH+](CC1)Cc1cnc(N[*:1])s1
CCCNc1ncc(C[NH+]2CCC(CO)CC2)s1 CCCN[*:1] OCC1CC[NH+](CC1)Cc1cnc(s1)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(C#N)c2)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@H](NS(=O)(=O)[*:1])C(=O)Nc1cccc(C#N)c1
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(C#N)c2)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C[*:1])C(=O)Nc1cccc(C#N)c1
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(C#N)c2)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)Nc1cccc(C#N)c1)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(C#N)c2)cc1 N#Cc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[*:1]
Cc1nc(-c2cccc(C(=O)N3CCC[C@H]([NH+]4CCCCCC4)C3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@@H](C1)[NH+]1CCCCCC1
CCNC(=O)c1ccc(N2CC[C@@H](c3cc(OC)cc(OC)c3)C2)nc1 CCNC(=O)[*:1] COc1cc(cc(c1)[C@@H]1CCN(C1)c1ccc(cn1)[*:1])OC
COC[C@@H](C)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 COC[C@@H](C)[*:1] C[C@@H]1NC(=NN(C1=O)c1ccccc1)C(=O)N[*:1]
COC[C@@H](C)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 COC[*:1] C[C@@H]1NC(=NN(C1=O)c1ccccc1)C(=O)N[C@H](C)[*:1]
COC[C@@H](C)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 c1ccc(cc1)[*:1] COC[C@@H](C)NC(=O)C1=NN(C(=O)[C@H](C)N1)[*:1]
Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccccc3F)CC2)nc(C(C)C)[nH+]1 Fc1ccccc1[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccccc3F)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCN(CC1)[C@H](C)C(=O)Nc1ccccc1F
O=C(NCC[C@H]1CCCO1)N1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(NCC[C@H]1CCCO1)N1CCN(CC1)C(=O)[*:1]
Cc1csc(Nc2cccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2)n1 Cc1csc(n1)[*:1] O=C(Nc1cccc(c1)N[*:1])c1ccc(c(c1)[N+](=O)[O-])-n1cncn1
Cc1csc(Nc2cccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2)n1 Cc1csc(n1)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(c(c1)[N+](=O)[O-])-n1cncn1
Cc1csc(Nc2cccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2)n1 c1ncn(n1)[*:1] Cc1csc(n1)Nc1cccc(c1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1csc(Nc2cccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2)n1 O=[N+]([O-])[*:1] Cc1csc(n1)Nc1cccc(c1)NC(=O)c1ccc(c(c1)[*:1])-n1cncn1
O=C([O-])CCCCNc1ncnc2c1CCCC2 O=C([O-])[*:1] c1nc2CCCCc2c(n1)NCCCC[*:1]
O=C([O-])CCCCNc1ncnc2c1CCCC2 O=C([O-])CCC[*:1] c1nc2CCCCc2c(n1)NC[*:1]
O=C([O-])CCCCNc1ncnc2c1CCCC2 O=C([O-])C[*:1] c1nc2CCCCc2c(n1)NCCC[*:1]
O=C([O-])CCCCNc1ncnc2c1CCCC2 O=C([O-])CC[*:1] c1nc2CCCCc2c(n1)NCC[*:1]
CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(C(=O)[O-])ccc1F CS(=O)(=O)C[*:1] CN(C[*:1])S(=O)(=O)c1cc(ccc1F)C(=O)[O-]
CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(C(=O)[O-])ccc1F O=C([O-])[*:1] CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(ccc1F)[*:1]
CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(C(=O)[O-])ccc1F CS(=O)(=O)CC[*:1] CN(S(=O)(=O)c1cc(ccc1F)C(=O)[O-])[*:1]
CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(C(=O)[O-])ccc1F CS(=O)(=O)[*:1] CN(CC[*:1])S(=O)(=O)c1cc(ccc1F)C(=O)[O-]
CC(C)c1ocnc1CSC[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CC(C)c1ocnc1CSC[C@@H](C)C[*:1]
CC(C)c1ocnc1CSC[C@@H](C)CS(C)(=O)=O CC(C)[*:1] C[C@H](CSCc1ncoc1[*:1])CS(C)(=O)=O
CC(C)c1ocnc1CSC[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CC(C)c1ocnc1CSC[C@@H](C)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1O[C@H]1C=CC(=O)O1 CC(C)[*:1] C[C@H]1CC[C@@H]([C@@H](C1)O[C@H]1C=CC(=O)O1)[*:1]
CCN[C@H](C#N)c1cncn1C(C)C CC(C)[*:1] CCN[C@H](C#N)c1cncn1[*:1]
CCN[C@H](C#N)c1cncn1C(C)C CCN[*:1] CC(C)n1cncc1[C@@H](C#N)[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 C1CCC(CC1)[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)[C@H]1COc2ccccc2O1)[*:1]
Cc1ccsc1[C@](C)(O)[C@]1(C#N)CCCc2ccccc21 Cc1ccsc1[*:1] C[C@](O)([C@]1(C#N)CCCc2ccccc21)[*:1]
Cc1cc(C)c(NC(=O)CN(C)C(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(CC(=O)N[*:1])C(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O
COC(=O)[C@](C)(COc1ccccc1)NC(=O)c1cccc2[nH]ccc12 c1ccc(cc1)O[*:1] COC(=O)[C@](C)(C[*:1])NC(=O)c1cccc2[nH]ccc12
COC(=O)[C@](C)(COc1ccccc1)NC(=O)c1cccc2[nH]ccc12 COC(=O)[*:1] C[C@](COc1ccccc1)(NC(=O)c1cccc2[nH]ccc12)[*:1]
COC(=O)[C@](C)(COc1ccccc1)NC(=O)c1cccc2[nH]ccc12 c1ccc(cc1)OC[*:1] COC(=O)[C@](C)(NC(=O)c1cccc2[nH]ccc12)[*:1]
COC(=O)[C@](C)(COc1ccccc1)NC(=O)c1cccc2[nH]ccc12 c1ccc(cc1)[*:1] COC(=O)[C@](C)(CO[*:1])NC(=O)c1cccc2[nH]ccc12
C[C@H]1S[C@@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N(c2ccc(Cl)cc2)C1=O C1CN(CCO1)[*:1] C[C@H]1S[C@@]2(C(=O)N(C[*:1])c3ccccc32)N(C1=O)c1ccc(Cl)cc1
C[C@H]1S[C@@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N(c2ccc(Cl)cc2)C1=O C1CN(CCO1)C[*:1] C[C@H]1S[C@@]2(C(=O)N(c3ccccc32)[*:1])N(C1=O)c1ccc(Cl)cc1
C[C@H]1S[C@@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] C[C@H]1S[C@@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N(C1=O)[*:1]
C=CCNC(=O)C1(c2ccc(NC(=O)c3ccoc3)cc2)CCCCC1 O=C(N[*:1])c1ccoc1 C=CCNC(=O)C1(CCCCC1)c1ccc(cc1)[*:1]
C=CCNC(=O)C1(c2ccc(NC(=O)c3ccoc3)cc2)CCCCC1 C=CCNC(=O)[*:1] O=C(Nc1ccc(cc1)C1(CCCCC1)[*:1])c1ccoc1
C=CCNC(=O)C1(c2ccc(NC(=O)c3ccoc3)cc2)CCCCC1 C=CC[*:1] O=C(Nc1ccc(cc1)C1(CCCCC1)C(=O)N[*:1])c1ccoc1
C=CCNC(=O)C1(c2ccc(NC(=O)c3ccoc3)cc2)CCCCC1 c1cc(co1)[*:1] C=CCNC(=O)C1(CCCCC1)c1ccc(cc1)NC(=O)[*:1]
O=C(NCc1ccc(OCC(F)(F)F)nc1)C(=O)Nc1ccccc1F FC(F)(F)CO[*:1] O=C(NCc1ccc(nc1)[*:1])C(=O)Nc1ccccc1F
O=C(NCc1ccc(OCC(F)(F)F)nc1)C(=O)Nc1ccccc1F FC(F)(F)[*:1] O=C(NCc1ccc(nc1)OC[*:1])C(=O)Nc1ccccc1F
O=C(NCc1ccc(OCC(F)(F)F)nc1)C(=O)Nc1ccccc1F FC(F)(F)C[*:1] O=C(NCc1ccc(nc1)O[*:1])C(=O)Nc1ccccc1F
O=C(NCc1ccc(OCC(F)(F)F)nc1)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(NCc1ccc(nc1)OCC(F)(F)F)C(=O)N[*:1]
CN1C(=O)C2=NC(N3CCC(C(=O)[O-])CC3)=N[C@H]2N(C)C1=O O=C([O-])[*:1] CN1C(=O)C2=NC(=N[C@H]2N(C)C1=O)N1CCC(CC1)[*:1]
Cc1ccn(CCCn2cnc(-c3ccccc3)c2-c2cccnc2)n1 Cc1ccn(CC[*:1])n1 c1ccc(cc1)-c1ncn(C[*:1])c1-c1cccnc1
Cc1ccn(CCCn2cnc(-c3ccccc3)c2-c2cccnc2)n1 c1ccc(cc1)[*:1] Cc1ccn(CCCn2cnc(c2-c2cccnc2)[*:1])n1
Cc1ccn(CCCn2cnc(-c3ccccc3)c2-c2cccnc2)n1 c1cncc(c1)[*:1] Cc1ccn(CCCn2cnc(-c3ccccc3)c2[*:1])n1
Cc1ccn(CCCn2cnc(-c3ccccc3)c2-c2cccnc2)n1 Cc1ccn(C[*:1])n1 c1ccc(cc1)-c1ncn(CC[*:1])c1-c1cccnc1
Cc1ccn(CCCn2cnc(-c3ccccc3)c2-c2cccnc2)n1 Cc1ccn(n1)[*:1] c1ccc(cc1)-c1ncn(CCC[*:1])c1-c1cccnc1
CC(C)n1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)n1 CC(C)n1ccc(n1)[*:1] O=C(COC(=O)[*:1])N1CCCc2ccccc21
CC(C)n1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)n1 CC(C)[*:1] O=C(OCC(=O)N1CCCc2ccccc21)c1ccn(n1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)Nc2cccc(-c3ncco3)c2)C1 c1coc(n1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Nc1cccc(c1)[*:1]
O=C(NC[C@H]1CCOC1)NC[C@]1(N2CCOCC2)CCSC1 C1C[C@@H](CO1)C[*:1] O=C(NC[C@@]1(CCSC1)N1CCOCC1)N[*:1]
O=C(NC[C@H]1CCOC1)NC[C@]1(N2CCOCC2)CCSC1 C1CN(CCO1)[*:1] O=C(NC[C@H]1CCOC1)NC[C@@]1(CCSC1)[*:1]
O=C(NC[C@H]1CCOC1)NC[C@]1(N2CCOCC2)CCSC1 C1C[C@@H](CO1)[*:1] O=C(NC[C@@]1(CCSC1)N1CCOCC1)NC[*:1]
C=CCNC(=O)Nc1c(F)cccc1F C=CC[*:1] O=C(Nc1c(F)cccc1F)N[*:1]
C=CCN1CCN2C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]2C1 C=CC[*:1] O=C1[C@@H]2CN(CCN2C(=O)N1c1ccccc1-c1ccccc1)[*:1]
C=CCN1CCN2C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]2C1 c1ccc(cc1)[*:1] C=CCN1CCN2C(=O)N(C(=O)[C@@H]2C1)c1ccccc1[*:1]
C[C@@H](O)CNc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 c1cncc(c1)[*:1] C[C@@H](O)CNc1nc(nc2sc3CCCCc3c12)[*:1]
C[C@@H](O)CNc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 C[C@@H](O)CN[*:1] c1cncc(c1)-c1nc(c2c3CCCCc3sc2n1)[*:1]
C[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@@H](NC(=O)N1CCN(CC1)CC(=O)NC1CC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccc(OC(F)F)cc1 O=C(C[*:1])NC1CC1 C[C@@H](NC(=O)N1CCN(CC1)[*:1])c1ccc(cc1)OC(F)F
C[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccc(OC(F)F)cc1 O=C(NC1CC1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)C[*:1])c1ccc(cc1)OC(F)F
C[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccc(OC(F)F)cc1 C1CC1[*:1] C[C@@H](NC(=O)N1CCN(CC1)CC(=O)N[*:1])c1ccc(cc1)OC(F)F
C[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@@H](NC(=O)N1CCN(CC1)CC(=O)NC1CC1)c1ccc(cc1)O[*:1]
CCOc1ccc(CCNC(=O)C2CCN(C(=O)N3C[C@H](CC)Oc4ccccc43)CC2)cc1 CCO[*:1] CC[C@H]1CN(C(=O)N2CCC(CC2)C(=O)NCCc2ccc(cc2)[*:1])c2ccccc2O1
CCOc1ccc(CCNC(=O)C2CCN(C(=O)N3C[C@H](CC)Oc4ccccc43)CC2)cc1 CCOc1ccc(cc1)CC[*:1] CC[C@H]1CN(C(=O)N2CCC(CC2)C(=O)N[*:1])c2ccccc2O1
CCOc1ccc(CCNC(=O)C2CCN(C(=O)N3C[C@H](CC)Oc4ccccc43)CC2)cc1 CCOc1ccc(cc1)C[*:1] CC[C@H]1CN(C(=O)N2CCC(CC2)C(=O)NC[*:1])c2ccccc2O1
CCOc1ccc(CCNC(=O)C2CCN(C(=O)N3C[C@H](CC)Oc4ccccc43)CC2)cc1 CCOc1ccc(cc1)[*:1] CC[C@H]1CN(C(=O)N2CCC(CC2)C(=O)NCC[*:1])c2ccccc2O1
COC[C@](C)(CCO)[NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12 COC[*:1] Cc1ccc2c(cc(=O)oc2c1C)C[NH2+][C@](C)(CCO)[*:1]
COC[C@](C)(CCO)[NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12 OCC[*:1] COC[C@](C)([NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12)[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2c(C)cccc2OC(F)F)c1 FC(F)O[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)Nc1c(C)cccc1[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2c(C)cccc2OC(F)F)c1 FC(F)[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)Nc1c(C)cccc1O[*:1]
C[C@@H]1CCN(C(=O)c2cccnc2OCC(F)(F)F)c2ccccc21 FC(F)(F)CO[*:1] C[C@@H]1CCN(C(=O)c2cccnc2[*:1])c2ccccc21
C[C@@H]1CCN(C(=O)c2cccnc2OCC(F)(F)F)c2ccccc21 FC(F)(F)[*:1] C[C@@H]1CCN(C(=O)c2cccnc2OC[*:1])c2ccccc21
C[C@@H]1CCN(C(=O)c2cccnc2OCC(F)(F)F)c2ccccc21 FC(F)(F)C[*:1] C[C@@H]1CCN(C(=O)c2cccnc2O[*:1])c2ccccc21
CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H]2CCN(C)C2)cc1 CC(C)[*:1] C[C@H](Cc1ccc(cc1)[*:1])[NH2+][C@@H]1CCN(C)C1
CC(=O)N1CCC[C@]1(CCCc1cccc(Br)n1)C(N)=O Brc1cccc(n1)[*:1] CC(=O)N1CCC[C@]1(CCC[*:1])C(N)=O
CC(=O)N1CCC[C@]1(CCCc1cccc(Br)n1)C(N)=O NC(=O)[*:1] CC(=O)N1CCC[C@@]1(CCCc1cccc(Br)n1)[*:1]
CC(C)[C@H](Sc1ccncc1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H](Sc1ccncc1)[*:1]
CC(C)[C@H](Sc1ccncc1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](Sc1ccncc1)[*:1]
CCCCS(=O)(=O)N[C@@H](C)c1ccccc1Cl CCCC[*:1] C[C@H](NS(=O)(=O)[*:1])c1ccccc1Cl
CCCCS(=O)(=O)N[C@@H](C)c1ccccc1Cl CCC[*:1] C[C@H](NS(=O)(=O)C[*:1])c1ccccc1Cl
CCOc1ccc(C(=O)c2cc(F)c(C)cc2F)cc1 CCO[*:1] Cc1cc(F)c(cc1F)C(=O)c1ccc(cc1)[*:1]
Cc1c(C[NH+](Cc2ccc(O)cc2)Cc2ccco2)cc(C#N)n1C c1coc(c1)C[*:1] Cc1c(cc(C#N)n1C)C[NH+](Cc1ccc(O)cc1)[*:1]
Cc1c(C[NH+](Cc2ccc(O)cc2)Cc2ccco2)cc(C#N)n1C Oc1ccc(cc1)C[*:1] Cc1c(cc(C#N)n1C)C[NH+](Cc1ccco1)[*:1]
Cc1c(C[NH+](Cc2ccc(O)cc2)Cc2ccco2)cc(C#N)n1C c1coc(c1)[*:1] Cc1c(cc(C#N)n1C)C[NH+](Cc1ccc(O)cc1)C[*:1]
Cc1c(C[NH+](Cc2ccc(O)cc2)Cc2ccco2)cc(C#N)n1C Oc1ccc(cc1)[*:1] Cc1c(cc(C#N)n1C)C[NH+](Cc1ccco1)C[*:1]
Cc1nc2cc([N+](=O)[O-])ccc2n1CCOC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1nc2cc(ccc2n1CCOC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1nc2cc([N+](=O)[O-])ccc2n1CCOC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1nc2cc(ccc2n1CCOC(=O)[*:1])[N+](=O)[O-]
Cc1nc2cc([N+](=O)[O-])ccc2n1CCOC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1nc2cc(ccc2n1CCOC(=O)c1ccc(cc1)[*:1])[N+](=O)[O-]
O=C(NCc1ccc2c(c1)OCO2)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1cccc(c1)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1
O=C(NCc1ccc2c(c1)OCO2)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 c1cc2OCOc2cc1C[*:1] O=C(N[*:1])c1cccc(c1)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1
O=C(NCc1ccc2c(c1)OCO2)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Clc1ccc(cc1Cl)[*:1] O=C(NCc1ccc2OCOc2c1)c1cccc(c1)[N-]S(=O)(=O)[*:1]
C#CCN1CCN([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CC1 C#CCN1CCN(CC1)[*:1] C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[*:1]
C#CCN1CCN([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C#CCN1CCN(CC1)[C@H](C)C(=O)Nc1ccccc1[*:1]
C#CCN1CCN([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CC1 C#CC[*:1] C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCN(CC1)[*:1]
C#CCN1CCN([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C#CCN1CCN(CC1)[C@H](C)C(=O)Nc1ccccc1C[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N[C@@H](C)Cc2ccc(C)s2)cc1C Cc1ccc(s1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N[C@@H](C)C[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N[C@@H](C)Cc2ccc(C)s2)cc1C CC(=O)N[*:1] Cc1ccc(C[C@H](C)NC(=O)Nc2cc(C)c(c(C)c2)[*:1])s1
CC(=O)Nc1c(C)cc(NC(=O)N[C@@H](C)Cc2ccc(C)s2)cc1C Cc1ccc(C[*:1])s1 CC(=O)Nc1c(C)cc(cc1C)NC(=O)N[C@@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)CC2)cc1C c1ccc2sc(nc2c1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCC[C@@H](C1)c1nc2ccccc2s1
COc1cccc(C(=O)N(CC(C)C)C2CC2)c1F C1CC1[*:1] COc1cccc(C(=O)N(CC(C)C)[*:1])c1F
COc1cccc(C(=O)N(CC(C)C)C2CC2)c1F CC(C)C[*:1] COc1cccc(C(=O)N(C2CC2)[*:1])c1F
COc1cccc(C(=O)N(CC(C)C)C2CC2)c1F CC(C)[*:1] COc1cccc(C(=O)N(C[*:1])C2CC2)c1F
O=C(Nc1cc(F)ccc1Cl)[C@@H]1CCCCN1C(=O)c1ccco1 c1coc(c1)[*:1] O=C(Nc1cc(F)ccc1Cl)[C@@H]1CCCCN1C(=O)[*:1]
O=C(Nc1cc(F)ccc1Cl)[C@@H]1CCCCN1C(=O)c1ccco1 Fc1ccc(Cl)c(c1)[*:1] O=C(N[*:1])[C@@H]1CCCCN1C(=O)c1ccco1
CCCCn1c(CC(C)(C)C)nc2ccccc21 CCCC[*:1] CC(C)(C)Cc1nc2ccccc2n1[*:1]
CCCCn1c(CC(C)(C)C)nc2ccccc21 CCC[*:1] CC(C)(C)Cc1nc2ccccc2n1C[*:1]
CCCCn1c(CC(C)(C)C)nc2ccccc21 CC(C)(C)C[*:1] CCCCn1c(nc2ccccc21)[*:1]
CCCCn1c(CC(C)(C)C)nc2ccccc21 CC(C)(C)[*:1] CCCCn1c(C[*:1])nc2ccccc21
Cn1cnnc1C1CC[NH+](Cc2ccnn2C)CC1 Cn1cnnc1[*:1] Cn1nccc1C[NH+]1CCC(CC1)[*:1]
Cn1cnnc1C1CC[NH+](Cc2ccnn2C)CC1 Cn1nccc1[*:1] Cn1cnnc1C1CC[NH+](CC1)C[*:1]
CCN1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 c1ccc(cc1)[*:1] CCN1CCN(CC1)C(=O)C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
CCN1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 CCN1CCN(CC1)C(=O)[*:1] O=c1c2cnn(-c3ccccc3)c2nc2SC[C@@H](C[*:1])n21
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc3OCOc3c2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1C c1cc2OCOc2cc1[*:1] CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[*:1])c1C
C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1cnn(C)c1 C[C@@H](c1cnn(C)c1)[*:1] C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[*:1]
C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[*:1]
C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1cnn(C)c1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)C[*:1])c1cnn(C)c1
C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1cnn(C)c1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)N[C@H](C[NH+](C)C)[*:1])c1cnn(C)c1
COc1cc(CCC(=O)N2C[C@@H](C)OC[C@@H]2C)ccc1OCC(F)(F)F FC(F)(F)C[*:1] COc1cc(ccc1O[*:1])CCC(=O)N1C[C@@H](C)OC[C@@H]1C
COc1cc(CCC(=O)N2C[C@@H](C)OC[C@@H]2C)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1cc(ccc1[*:1])CCC(=O)N1C[C@@H](C)OC[C@@H]1C
COc1cc(CCC(=O)N2C[C@@H](C)OC[C@@H]2C)ccc1OCC(F)(F)F FC(F)(F)[*:1] COc1cc(ccc1OC[*:1])CCC(=O)N1C[C@@H](C)OC[C@@H]1C
CCC(=O)Nc1cc2c(cc1C(=O)CC)OCCO2 CCC(=O)[*:1] CCC(=O)Nc1cc2OCCOc2cc1[*:1]
CCC(=O)Nc1cc2c(cc1C(=O)CC)OCCO2 CCC(=O)N[*:1] CCC(=O)c1cc2OCCOc2cc1[*:1]
C=CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 C=CC[*:1] C[C@H]1CN(CC[C@H]1[NH2+]Cc1ccc(cc1)O[*:1])C(=O)C1CC1
C=CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 C1CC1[*:1] C=CCOc1ccc(cc1)C[NH2+][C@@H]1CCN(C[C@@H]1C)C(=O)[*:1]
C=CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 C=CCO[*:1] C[C@H]1CN(CC[C@H]1[NH2+]Cc1ccc(cc1)[*:1])C(=O)C1CC1
COc1cc(NC(=O)c2ccccc2F)ccc1-c1ccc(CO)o1 Fc1ccccc1[*:1] COc1cc(ccc1-c1ccc(CO)o1)NC(=O)[*:1]
COc1cc(NC(=O)c2ccccc2F)ccc1-c1ccc(CO)o1 OCc1ccc(o1)[*:1] COc1cc(ccc1[*:1])NC(=O)c1ccccc1F
CN(Cc1cnccn1)C(=O)N[C@H]1CCCOc2c1ccc1ccccc21 c1cnc(cn1)[*:1] CN(C[*:1])C(=O)N[C@H]1CCCOc2c1ccc1ccccc21
CN(Cc1cnccn1)C(=O)N[C@H]1CCCOc2c1ccc1ccccc21 c1cnc(cn1)C[*:1] CN(C(=O)N[C@H]1CCCOc2c1ccc1ccccc21)[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cc3ccccc3o2)C1 CC(C)C[*:1] C[C@@H](NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1])c1cc2ccccc2o1
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cc3ccccc3o2)C1 c1ccc2oc(cc2c1)[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N[C@H](C)[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cc3ccccc3o2)C1 CC(C)[*:1] C[C@@H](NC(=O)[C@H]1CCCN(C1)C(=O)NC[*:1])c1cc2ccccc2o1
COc1cc(CCNC(=O)N[C@H](C)c2ccc(F)cc2Cl)ccc1O Fc1ccc(c(Cl)c1)[*:1] COc1cc(ccc1O)CCNC(=O)N[C@H](C)[*:1]
CO/C([O-])=C1/C(C)=NC2=NC(SCc3ccc([N+](=O)[O-])cc3)=NC(=O)[C@H]2[C@H]1c1cccnc1 O=[N+]([O-])c1ccc(cc1)C[*:1] CO/C([O-])=C1/C(C)=NC2=NC(=NC(=O)[C@H]2[C@H]1c1cccnc1)S[*:1]
CO/C([O-])=C1/C(C)=NC2=NC(SCc3ccc([N+](=O)[O-])cc3)=NC(=O)[C@H]2[C@H]1c1cccnc1 c1cncc(c1)[*:1] CO/C([O-])=C1/C(C)=NC2=NC(=NC(=O)[C@H]2[C@@H]1[*:1])SCc1ccc(cc1)[N+](=O)[O-]
CO/C([O-])=C1/C(C)=NC2=NC(SCc3ccc([N+](=O)[O-])cc3)=NC(=O)[C@H]2[C@H]1c1cccnc1 O=[N+]([O-])c1ccc(cc1)[*:1] CO/C([O-])=C1/C(C)=NC2=NC(=NC(=O)[C@H]2[C@H]1c1cccnc1)SC[*:1]
CO/C([O-])=C1/C(C)=NC2=NC(SCc3ccc([N+](=O)[O-])cc3)=NC(=O)[C@H]2[C@H]1c1cccnc1 O=[N+]([O-])[*:1] CO/C([O-])=C1/C(C)=NC2=NC(=NC(=O)[C@H]2[C@H]1c1cccnc1)SCc1ccc(cc1)[*:1]
COc1cc(F)cc(CNC(=O)N(C2CC2)[C@H](C)C(C)C)c1 C1CC1[*:1] COc1cc(F)cc(c1)CNC(=O)N([C@H](C)C(C)C)[*:1]
COc1cc(F)cc(CNC(=O)N(C2CC2)[C@H](C)C(C)C)c1 CC(C)[*:1] COc1cc(F)cc(c1)CNC(=O)N(C1CC1)[C@H](C)[*:1]
CCN(CC)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl CCN(CC)[*:1] O=C(N[C@H](C(Cl)(Cl)Cl)[*:1])c1ccccc1[N+](=O)[O-]
CCN(CC)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl O=[N+]([O-])[*:1] CCN(CC)[C@H](NC(=O)c1ccccc1[*:1])C(Cl)(Cl)Cl
CCN(CC)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CCN(CC)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[*:1]
COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnnn1[*:1]
COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 COc1ccc(Cl)cc1[*:1] COc1ccc(cc1)-n1nnnc1S[C@H](C)C(=O)N[*:1]
Cc1cc(C(=O)N2CCCO[C@H](C)C2)sc1/C=C/C(=O)[O-] O=C([O-])[*:1] Cc1cc(sc1C=C[*:1])C(=O)N1CCCO[C@H](C)C1
CC1(C)C(=O)NC(=O)N1CC(=O)N(Cc1ccsc1)c1ccccc1 c1cc(cs1)[*:1] CC1(C)C(=O)NC(=O)N1CC(=O)N(C[*:1])c1ccccc1
CC1(C)C(=O)NC(=O)N1CC(=O)N(Cc1ccsc1)c1ccccc1 c1ccc(cc1)[*:1] CC1(C)C(=O)NC(=O)N1CC(=O)N(Cc1ccsc1)[*:1]
CC1(C)C(=O)NC(=O)N1CC(=O)N(Cc1ccsc1)c1ccccc1 c1cc(cs1)C[*:1] CC1(C)C(=O)NC(=O)N1CC(=O)N(c1ccccc1)[*:1]
CCC[NH+]1CCCN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC1 CCC[*:1] Cc1ccc([nH+]c1)N1CCC(CC1)NC(=O)N1CCC[NH+](CC1)[*:1]
CCC[NH+]1CCCN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC1 Cc1ccc([nH+]c1)[*:1] CCC[NH+]1CCCN(CC1)C(=O)NC1CCN(CC1)[*:1]
COc1ccc(-c2cc(=O)n(CCNC(=O)c3cc(Cl)ccc3OC)cn2)cc1 COc1ccc(cc1)[*:1] COc1ccc(Cl)cc1C(=O)NCCn1cnc(cc1=O)[*:1]
COc1ccc(-c2cc(=O)n(CCNC(=O)c3cc(Cl)ccc3OC)cn2)cc1 COc1ccc(Cl)cc1[*:1] COc1ccc(cc1)-c1cc(=O)n(cn1)CCNC(=O)[*:1]
CN(CCc1ccc(F)cc1)CN1C(=O)C(=O)c2cc3c(cc21)OCCO3 Fc1ccc(cc1)CC[*:1] CN(CN1C(=O)C(=O)c2cc3OCCOc3cc21)[*:1]
CN(CCc1ccc(F)cc1)CN1C(=O)C(=O)c2cc3c(cc21)OCCO3 Fc1ccc(cc1)C[*:1] CN(CN1C(=O)C(=O)c2cc3OCCOc3cc21)C[*:1]
CN(CCc1ccc(F)cc1)CN1C(=O)C(=O)c2cc3c(cc21)OCCO3 Fc1ccc(cc1)[*:1] CN(CC[*:1])CN1C(=O)C(=O)c2cc3OCCOc3cc21
C[C@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)c1cccnc1Cl Clc1ncccc1[*:1] C[C@H]([NH2+]Cc1ccc(cc1)COc1ccccc1)[*:1]
C[C@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)c1cccnc1Cl c1ccc(cc1)O[*:1] C[C@H]([NH2+]Cc1ccc(cc1)C[*:1])c1cccnc1Cl
C[C@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)c1cccnc1Cl c1ccc(cc1)OC[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1cccnc1Cl
C[C@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)c1cccnc1Cl c1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)CO[*:1])c1cccnc1Cl
CCCC[C@@H](NS(=O)(=O)c1cc2c3c(c1)c(C)cc(=O)n3CC2)C(=O)[O-] O=C([O-])[*:1] CCCC[C@@H](NS(=O)(=O)c1cc2CCn3c(=O)cc(C)c(c1)c23)[*:1]
CCCC[C@@H](NS(=O)(=O)c1cc2c3c(c1)c(C)cc(=O)n3CC2)C(=O)[O-] CCCC[*:1] Cc1cc(=O)n2CCc3cc(cc1c32)S(=O)(=O)N[C@@H](C(=O)[O-])[*:1]
CCCC[C@@H](NS(=O)(=O)c1cc2c3c(c1)c(C)cc(=O)n3CC2)C(=O)[O-] CCC[*:1] Cc1cc(=O)n2CCc3cc(cc1c32)S(=O)(=O)N[C@H](C[*:1])C(=O)[O-]
CC(C)(O)CNc1nc2ccc(F)cn2n1 CC(C)(O)[*:1] Fc1ccc2nc(nn2c1)NC[*:1]
CC(C)(O)CNc1nc2ccc(F)cn2n1 CC(C)(O)C[*:1] Fc1ccc2nc(nn2c1)N[*:1]
CCOc1ccc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1F CCO[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(c(F)c1)[*:1]
CCOc1ccc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1F Cc1n[nH]c(C)c1[*:1] CCOc1ccc(cc1F)NC(=O)N1CCC[C@@H]1[*:1]
C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc(F)cn1 c1ccc(CO[*:1])nc1 C[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc(F)cn1
C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc(F)cn1 c1ccc(nc1)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)OC[*:1])c1ccc(F)cn1
C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)OCc1ccccn1)[*:1]
C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc(F)cn1 c1ccc(C[*:1])nc1 C[C@@H]([NH2+]Cc1ccc(cc1)O[*:1])c1ccc(F)cn1
CC(C)[C@@H](C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 CC(C)[C@@H](C)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)[C@@H](C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)[C@@H](C)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)[C@@H](C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 CC(C)[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)C(C)(C)C)[*:1]
CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H]3CCc4ccccc43)cnn2c1 c1ccc2c(c1)CC[C@@H]2[*:1] CC[NH+](CC)Cc1cnc2c(cnn2c1)C(=O)N[*:1]
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCCC[NH+]1CCC(C)CC1 CN(C)S(=O)(=O)[*:1] Cc1oc(cc1C(=O)NCCC[NH+]1CCC(C)CC1)[*:1]
O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1cc(Cl)ccc1[N+](=O)[O-] c1csc(c1)[*:1] O=C(NCc1ccc(s1)[C@@H](O)[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCc1ccc(s1)[C@@H](O)c1cccs1)c1cc(Cl)ccc1[*:1]
CNC(=O)CC1CCN(C(=O)NC[C@H](C)Cc2cccs2)CC1 CNC(=O)C[*:1] C[C@@H](CNC(=O)N1CCC(CC1)[*:1])Cc1cccs1
CNC(=O)CC1CCN(C(=O)NC[C@H](C)Cc2cccs2)CC1 c1csc(c1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)NC[C@H](C)C[*:1]
CNC(=O)CC1CCN(C(=O)NC[C@H](C)Cc2cccs2)CC1 CNC(=O)[*:1] C[C@@H](CNC(=O)N1CCC(CC1)C[*:1])Cc1cccs1
CNC(=O)CC1CCN(C(=O)NC[C@H](C)Cc2cccs2)CC1 c1csc(c1)C[*:1] CNC(=O)CC1CCN(CC1)C(=O)NC[C@H](C)[*:1]
O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cc(F)ccc2O)CC1 Oc1ccc(F)cc1[*:1] O=C(Nc1ccc(Cl)cc1)N1CCCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cc(F)ccc2O)CC1 Clc1ccc(cc1)[*:1] O=C(N[*:1])N1CCCN(CC1)C(=O)c1cc(F)ccc1O
Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(=O)oc3cc(OC(C)C)ccc23)cc1 CC(C)O[*:1] Cc1[nH+]ccn1-c1ccc(cc1)NC(=O)c1cc(=O)oc2cc(ccc12)[*:1]
Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(=O)oc3cc(OC(C)C)ccc23)cc1 CC(C)[*:1] Cc1[nH+]ccn1-c1ccc(cc1)NC(=O)c1cc(=O)oc2cc(ccc12)O[*:1]
CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(cn1)NC(=O)c1ccccc1-c1nc(no1)[*:1]
CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1 CC(C)c1noc(n1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(cn1)NC(=O)c1ccccc1[*:1]
CC[C@H](C(=O)[O-])N(C)c1cc(C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H](C(=O)[O-])N(C)c1cc(C)ccc1[*:1]
CC[C@H](C(=O)[O-])N(C)c1cc(C)ccc1[N+](=O)[O-] O=C([O-])[*:1] CC[C@H](N(C)c1cc(C)ccc1[N+](=O)[O-])[*:1]
O=C(NCCN1CCN(c2ccccc2F)CC1)C1CCN(c2ccc(N3CCCCC3)nn2)CC1 c1cc(nnc1N1CCCCC1)[*:1] O=C(NCCN1CCN(CC1)c1ccccc1F)C1CCN(CC1)[*:1]
O=C(NCCN1CCN(c2ccccc2F)CC1)C1CCN(c2ccc(N3CCCCC3)nn2)CC1 C1CCN(CC1)[*:1] O=C(NCCN1CCN(CC1)c1ccccc1F)C1CCN(CC1)c1ccc(nn1)[*:1]
O=C(NCCN1CCN(c2ccccc2F)CC1)C1CCN(c2ccc(N3CCCCC3)nn2)CC1 Fc1ccccc1[*:1] O=C(NCCN1CCN(CC1)[*:1])C1CCN(CC1)c1ccc(nn1)N1CCCCC1
CC(C)CCO[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 c1ccc(cc1)C[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)[C@@H]1CN(CCO1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 CC(C)CC[*:1] O=C([C@@H]1CN(CCO1)Cc1ccccc1)N1CC[C@@H](C1)O[*:1]
CC(C)CCO[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 c1ccc(cc1)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)[C@@H]1CN(CCO1)C[*:1]
CC(C)CCO[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 CC(C)CCO[*:1] O=C([C@@H]1CN(CCO1)Cc1ccccc1)N1CC[C@@H](C1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 CC(C)C[*:1] O=C([C@@H]1CN(CCO1)Cc1ccccc1)N1CC[C@@H](C1)OC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 CC(C)[*:1] O=C([C@@H]1CN(CCO1)Cc1ccccc1)N1CC[C@@H](C1)OCC[*:1]
CC[NH2+][C@@H](Cc1ncnn1C(C)C)[C@]1(C)CCCO1 CC(C)[*:1] CC[NH2+][C@@H](Cc1ncnn1[*:1])[C@]1(C)CCCO1
CC[NH2+][C@@H](Cc1ncnn1C(C)C)[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] CC[NH2+][C@@H](Cc1ncnn1C(C)C)[*:1]
CCn1c(SCC(=O)N2CCC[C@@H](C)C2)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N1CCC[C@@H](C)C1
Cc1nnsc1-c1nc(Cn2cncn2)nn1Cc1ccc(F)cc1 Cc1nnsc1[*:1] Fc1ccc(cc1)Cn1nc(Cn2cncn2)nc1[*:1]
Cc1nnsc1-c1nc(Cn2cncn2)nn1Cc1ccc(F)cc1 c1ncn(n1)[*:1] Cc1nnsc1-c1nc(C[*:1])nn1Cc1ccc(F)cc1
Cc1nnsc1-c1nc(Cn2cncn2)nn1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nnsc1-c1nc(Cn2cncn2)nn1C[*:1]
Cc1nnsc1-c1nc(Cn2cncn2)nn1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1nnsc1-c1nc(Cn2cncn2)nn1[*:1]
Cc1nnsc1-c1nc(Cn2cncn2)nn1Cc1ccc(F)cc1 c1ncn(C[*:1])n1 Cc1nnsc1-c1nc(nn1Cc1ccc(F)cc1)[*:1]
C[C@H]1CC[C@](C[NH3+])(C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CC[C@](C[NH3+])(C1)[*:1]
CCC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3ccccc23)cc1 CCC(=O)N[*:1] Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(cc1)[*:1]
CCn1ncc(Br)c1C(=O)Nc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCn1ncc(Br)c1C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](C)[S@](=O)CC(=O)Nc1ccc(F)cc1F CC(C)[*:1] C[C@@H]([S@](=O)CC(=O)Nc1ccc(F)cc1F)[*:1]
CS(=O)(=O)N1CC(C(=O)NCCC(c2ccccc2)c2ccccc2)C1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CC(C1)C(=O)NCCC(c1ccccc1)[*:1]
CS(=O)(=O)N1CC(C(=O)NCCC(c2ccccc2)c2ccccc2)C1 CS(=O)(=O)N1CC(C1)[*:1] O=C(NCCC(c1ccccc1)c1ccccc1)[*:1]
C#CCN1CCN(C(=O)CNc2cccc(COC3CCCCC3)c2)CC1 C1CCC(CC1)O[*:1] C#CCN1CCN(CC1)C(=O)CNc1cccc(c1)C[*:1]
C#CCN1CCN(C(=O)CNc2cccc(COC3CCCCC3)c2)CC1 C#CC[*:1] O=C(CNc1cccc(c1)COC1CCCCC1)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)CNc2cccc(COC3CCCCC3)c2)CC1 C1CCC(CC1)[*:1] C#CCN1CCN(CC1)C(=O)CNc1cccc(c1)CO[*:1]
C#CCN1CCN(C(=O)CNc2cccc(COC3CCCCC3)c2)CC1 C1CCC(CC1)OC[*:1] C#CCN1CCN(CC1)C(=O)CNc1cccc(c1)[*:1]
O=C([O-])[C@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=C([O-])[*:1] O=[N+]([O-])c1cc(ccc1N[C@@H](CO)[*:1])C(F)(F)F
O=C([O-])[C@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C([O-])[C@H](CO)Nc1ccc(cc1[*:1])C(F)(F)F
O=C([O-])[C@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] O=C([O-])[C@H](CO)Nc1ccc(cc1[N+](=O)[O-])[*:1]
CC(C)[C@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1 c1ncn(n1)[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1
CC(C)[C@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1)-n1cncn1)[*:1]
CC(C)[C@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1 CC(C)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1ccc(cc1)-n1cncn1
C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)N[C@H](C)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)N[*:1]
C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)N[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)N[C@H](C)[*:1]
O=C(NCc1nnc2ccccn12)N1CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1nnc2ccccn12)N1CC[C@@H]1[*:1]
CC[NH+]1CCN([C@H](CC(C)C)c2nnnn2C(C)C)CC1 CC(C)C[*:1] CC[NH+]1CCN(CC1)[C@H](c1nnnn1C(C)C)[*:1]
CC[NH+]1CCN([C@H](CC(C)C)c2nnnn2C(C)C)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)[C@H](CC(C)C)c1nnnn1[*:1]
CC[NH+]1CCN([C@H](CC(C)C)c2nnnn2C(C)C)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)[C@H](C[*:1])c1nnnn1C(C)C
CC(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(C3CC3)n2)C1 C1CC1[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)c1n[nH]c(n1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)c2n[nH]c(C3CC3)n2)C1 CC(=O)N[*:1] O=C(c1n[nH]c(n1)C1CC1)N1CCC[C@@H](C1)[*:1]
CN(C(=O)CCC(F)(F)F)c1ccc(Br)cc1F FC(F)(F)[*:1] CN(C(=O)CC[*:1])c1ccc(Br)cc1F
CN(C(=O)CCC(F)(F)F)c1ccc(Br)cc1F FC(F)(F)C[*:1] CN(C(=O)C[*:1])c1ccc(Br)cc1F
CN(C(=O)CCC(F)(F)F)c1ccc(Br)cc1F FC(F)(F)CC[*:1] CN(C(=O)[*:1])c1ccc(Br)cc1F
Cc1occc1C(=O)NCC(=O)N1CC[C@@H](C)[C@H](O)C1 Cc1occc1[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)CNC(=O)[*:1]
C#CCN1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 Clc1cccc(c1)[*:1] C#CCN1CCN(CC1)Cc1coc(n1)[*:1]
C#CCN1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 C#CC[*:1] Clc1cccc(c1)-c1nc(co1)CN1CCN(CC1)[*:1]
O=c1nc(C(Cl)(Cl)Cl)nc2ccccn12 ClC(Cl)(Cl)[*:1] O=c1nc(nc2ccccn12)[*:1]
O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 c1ccc2sc(nc2c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-n1cccn1
O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 c1cnn(c1)[*:1] O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1[N+](=O)[O-] O=S(=O)(N1CCCCCC1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1cccc(c1)[*:1]
COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCCC1
CCn1c([C@@H](C)NC[C@@H](C2CC2)[NH+](C)C)nc2ccccc21 C1CC1[*:1] CCn1c(nc2ccccc21)[C@@H](C)NC[C@@H]([NH+](C)C)[*:1]
CC(C)(CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
CC(C)(CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CCOCC1 O=C1CCCN1[*:1] CC(C)(CNC(=O)c1ccc(cc1)[*:1])N1CCOCC1
COc1cc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)cc(OC)c1OC c1ccn(c1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)c1sc(nc1-c1ccccc1)[*:1]
COc1cc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)c1sc(nc1[*:1])-n1cccc1
Cc1ccccc1OC1CC[NH+](Cc2nc(-c3ccco3)oc2C)CC1 Cc1ccccc1[*:1] Cc1oc(nc1C[NH+]1CCC(CC1)O[*:1])-c1ccco1
Cc1ccccc1OC1CC[NH+](Cc2nc(-c3ccco3)oc2C)CC1 Cc1ccccc1O[*:1] Cc1oc(nc1C[NH+]1CCC(CC1)[*:1])-c1ccco1
Cc1ccccc1OC1CC[NH+](Cc2nc(-c3ccco3)oc2C)CC1 c1coc(c1)[*:1] Cc1ccccc1OC1CC[NH+](CC1)Cc1nc(oc1C)[*:1]
COc1ccc([C@@H](O)[C@H](C)N[C@@H](C)c2ccc(SC)c(F)c2)cc1 COc1ccc(cc1)[*:1] CSc1ccc(cc1F)[C@H](C)N[C@@H](C)[C@H](O)[*:1]
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCCOc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] NC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCCOc1ccc(cc1)[*:1]
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCCOc1ccc(C(F)(F)F)cc1 NC(=O)[*:1] O=C(NCCOc1ccc(cc1)C(F)(F)F)N[C@H]1CCC[C@H]1[*:1]
CCC(=O)Nc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 CCC(=O)N[*:1] O=C(Nc1ccc(cc1)Nc1ccccc1)c1cccc(c1)[*:1]
CCC(=O)Nc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 c1ccc(cc1)N[*:1] CCC(=O)Nc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 c1ccc(cc1)[*:1] CCC(=O)Nc1cccc(c1)C(=O)Nc1ccc(cc1)N[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)/N=c1\[nH]cn[nH]1)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)/N=c1\[nH]cn[nH]1)[*:1])OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)/N=c1\[nH]cn[nH]1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)/N=c1\[nH]cn[nH]1)OCc1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)/N=c1\[nH]cn[nH]1)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)/N=c1\[nH]cn[nH]1)O[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)/N=c1\[nH]cn[nH]1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)/N=c1\[nH]cn[nH]1)OC[*:1]
C[C@@H]1CC(C(=O)NCC(c2ccccc2)c2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCC(c1ccccc1)[*:1]
COc1ccc(-n2nc3c(c2NC(=O)CC(C)C)CS(=O)(=O)C3)cc1 CC(C)C[*:1] COc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)[*:1]
COc1ccc(-n2nc3c(c2NC(=O)CC(C)C)CS(=O)(=O)C3)cc1 CC(C)[*:1] COc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)C[*:1]
COc1ccc(-n2nc3c(c2NC(=O)CC(C)C)CS(=O)(=O)C3)cc1 CC(C)CC(=O)N[*:1] COc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1[*:1]
COc1ccc(-n2nc3c(c2NC(=O)CC(C)C)CS(=O)(=O)C3)cc1 COc1ccc(cc1)[*:1] CC(C)CC(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
CC[C@@H](CNC(=O)N1CC[C@@H]([N+]2=CCCC2)C1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@@H](CNC(=O)N1CC[C@H](C1)[N+]1=CCCC1)O[*:1]
CC[C@@H](CNC(=O)N1CC[C@@H]([N+]2=CCCC2)C1)Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] CC[C@@H](CNC(=O)N1CC[C@H](C1)[N+]1=CCCC1)[*:1]
COc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc(Cl)c1O Cc1cc(no1)[*:1] COc1cc(cc(Cl)c1O)C(=O)O[C@H](C)C(=O)N[*:1]
CC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1=O Brc1ccc(cc1)[*:1] CC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)[*:1])C1=O
Cc1ccc(NC(=O)[C@H](C)S[C@H](C)c2ccccc2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)[C@H](C)S[C@H](C)[*:1]
CN(CCc1cccs1)c1cc[nH+]c(C(N)=S)c1 c1csc(c1)[*:1] CN(CC[*:1])c1cc[nH+]c(c1)C(N)=S
CN(CCc1cccs1)c1cc[nH+]c(C(N)=S)c1 NC(=S)[*:1] CN(CCc1cccs1)c1cc[nH+]c(c1)[*:1]
CN(CCc1cccs1)c1cc[nH+]c(C(N)=S)c1 c1csc(c1)C[*:1] CN(C[*:1])c1cc[nH+]c(c1)C(N)=S
CC[NH+]1CCN(C2(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)CCCCC2)CC1 Cc1cc(C)cc(c1)[*:1] CC[NH+]1CCN(CC1)C1(CCCCC1)CNC(=O)[C@@H](C)O[*:1]
CC[NH+]1CCN(C2(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)CCCCC2)CC1 Cc1cc(C)cc(c1)O[*:1] CC[NH+]1CCN(CC1)C1(CCCCC1)CNC(=O)[C@@H](C)[*:1]
COC[C@](C)(C#N)NC(=O)c1cccc(F)c1Cl COC[*:1] C[C@](C#N)(NC(=O)c1cccc(F)c1Cl)[*:1]
N#Cc1ccccc1C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 N#Cc1ccccc1[*:1] O=C1NC(=O)[C@@H](Cc2ccc(cc2)NC(=O)[*:1])N1
CC1CC[NH+](C2CCN(Cc3ccccc3F)CC2)CC1 Fc1ccccc1[*:1] CC1CC[NH+](CC1)C1CCN(CC1)C[*:1]
C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 C[C@@H](c1ccncc1)[*:1] C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCN(CC1)[*:1]
C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 c1cc(ccn1)[*:1] C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCN(CC1)[C@@H](C)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H](Sc2c(F)cc(N)cc2F)C1 CS(=O)(=O)[*:1] Nc1cc(F)c(S[C@@H]2CCC[C@H](C2)[*:1])c(F)c1
CCN(CC)C(=O)c1cccc(NC(=O)c2cnc3ccc(C)cn23)c1 CCN(CC)C(=O)[*:1] Cc1ccc2ncc(C(=O)Nc3cccc(c3)[*:1])n2c1
CN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)c1cccc(c1)CC#N)[C@@H]1CCCC[C@@H]1[*:1]
CN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O N#CC[*:1] CN(C(=O)c1cccc(c1)[*:1])[C@@H]1CCCC[C@H]1S(C)(=O)=O
O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)[*:1] O=C(c1ccc(cc1)S(=O)(=O)[*:1])N1CCN(CC1)c1ccc(cn1)C(F)(F)F
O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)S(=O)(=O)C(F)F)N1CCN(CC1)c1ccc(cn1)[*:1]
O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)c1ccc(nc1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)C(F)F)N1CCN(CC1)[*:1]
O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 O=S(=O)(C(F)F)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(cn1)C(F)(F)F
Cc1ccc(Cl)cc1NC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)C[C@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
Cc1ccc(Cl)cc1NC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 Cc1ccc(Cl)cc1[*:1] O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)N[*:1]
COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3cccs3)cc2c1 c1csc(c1)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(C)C(=O)[*:1]
Nc1cccc(OCc2cc(-c3ccc(-c4ccccc4)cc3)[nH]n2)c1 Nc1cccc(c1)[*:1] c1ccc(cc1)-c1ccc(cc1)-c1cc(CO[*:1])n[nH]1
Nc1cccc(OCc2cc(-c3ccc(-c4ccccc4)cc3)[nH]n2)c1 c1ccc(cc1)[*:1] Nc1cccc(c1)OCc1cc([nH]n1)-c1ccc(cc1)[*:1]
Nc1cccc(OCc2cc(-c3ccc(-c4ccccc4)cc3)[nH]n2)c1 Nc1cccc(c1)O[*:1] c1ccc(cc1)-c1ccc(cc1)-c1cc(C[*:1])n[nH]1
C[C@]12NC(=S)N[C@H](c3cc([N+](=O)[O-])ccc3O1)[C@@H]2C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@]12NC(=S)N[C@H](c3cc(ccc3O1)[N+](=O)[O-])[C@@H]2C(=O)N[*:1]
C[C@]12NC(=S)N[C@H](c3cc([N+](=O)[O-])ccc3O1)[C@@H]2C(=O)Nc1ccc(Cl)cc1 O=[N+]([O-])[*:1] C[C@]12NC(=S)N[C@H](c3cc(ccc3O1)[*:1])[C@@H]2C(=O)Nc1ccc(Cl)cc1
O=C(Cn1ccc2ccc(F)cc21)N1CCN(CCc2ccccn2)CC1 c1ccc(C[*:1])nc1 O=C(Cn1ccc2ccc(F)cc21)N1CCN(CC1)C[*:1]
O=C(Cn1ccc2ccc(F)cc21)N1CCN(CCc2ccccn2)CC1 c1ccc(CC[*:1])nc1 O=C(Cn1ccc2ccc(F)cc21)N1CCN(CC1)[*:1]
O=C(Cn1ccc2ccc(F)cc21)N1CCN(CCc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(Cn1ccc2ccc(F)cc21)N1CCN(CC1)CC[*:1]
O=S(=O)(/N=C(\[O-])Cc1ccccc1F)c1cccnc1 c1cncc(c1)[*:1] O=S(=O)(/N=C(\[O-])Cc1ccccc1F)[*:1]
COc1ccc([C@@H]2C[C@@H](c3cccc(OC)c3OC)n3nnnc3N2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1OC)[C@@H]1C[C@H](Nc2nnnn21)[*:1]
CCC[NH2+][C@@H]1CCC[C@H](n2cc[nH+]c2C)C1 CCC[*:1] Cc1[nH+]ccn1[C@H]1CCC[C@H](C1)[NH2+][*:1]
CCc1ccc(N2C(=O)N(CC(=O)NC3CCCC3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 C1CCC(C1)[*:1] CCc1ccc(cc1)N1C(=O)N(CC(=O)N[*:1])[C@H]2CS(=O)(=O)C[C@@H]21
CCc1ccc(N2C(=O)N(CC(=O)NC3CCCC3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 O=C(C[*:1])NC1CCCC1 CCc1ccc(cc1)N1C(=O)N([C@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CCc1ccc(N2C(=O)N(CC(=O)NC3CCCC3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 O=C(NC1CCCC1)[*:1] CCc1ccc(cc1)N1C(=O)N(C[*:1])[C@H]2CS(=O)(=O)C[C@@H]21
CCc1ccc(N2C(=O)N(CC(=O)NC3CCCC3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 CCc1ccc(cc1)[*:1] O=C(CN1C(=O)N([C@H]2CS(=O)(=O)C[C@@H]21)[*:1])NC1CCCC1
O=C(O[C@@H](c1ccccc1)c1cccnc1)c1cccc2c1OCO2 c1ccc(cc1)[*:1] O=C(O[C@@H](c1cccnc1)[*:1])c1cccc2OCOc21
O=C(O[C@@H](c1ccccc1)c1cccnc1)c1cccc2c1OCO2 c1cncc(c1)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])c1cccc2OCOc21
COc1cc(C)c(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1OC CS(=O)(=O)[*:1] COc1cc(C)c(cc1OC)C[NH2+][C@@H]1CCC[C@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2Cl)C1 CCOC[*:1] O=C(/C=C/c1cccc(Cl)c1Cl)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2Cl)C1 CCO[*:1] O=C(/C=C/c1cccc(Cl)c1Cl)N1CCC[C@@H](C1)C[*:1]
COc1ccc(CCNC(C)=O)cc1S(=O)(=O)N(C)[C@H]1CCC[C@H](C)C1 CC(=O)N[*:1] COc1ccc(cc1S(=O)(=O)N(C)[C@H]1CCC[C@H](C)C1)CC[*:1]
COc1ccc(CCNC(C)=O)cc1S(=O)(=O)N(C)[C@H]1CCC[C@H](C)C1 CC(=O)NCC[*:1] COc1ccc(cc1S(=O)(=O)N(C)[C@H]1CCC[C@H](C)C1)[*:1]
COc1ccc(CCNC(C)=O)cc1S(=O)(=O)N(C)[C@H]1CCC[C@H](C)C1 CC(=O)NC[*:1] COc1ccc(cc1S(=O)(=O)N(C)[C@H]1CCC[C@H](C)C1)C[*:1]
COc1ccc(NC(=O)[C@H](C)S(=O)(=O)CCC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)NC(=O)[C@H](C)S(=O)(=O)C[*:1]
COc1ccc(NC(=O)[C@H](C)S(=O)(=O)CCC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)[C@H](C)S(=O)(=O)CC[*:1]
COc1ccc(NC(=O)[C@H](C)S(=O)(=O)CCC(C)C)cc1 CC(C)CC[*:1] COc1ccc(cc1)NC(=O)[C@H](C)S(=O)(=O)[*:1]
N#C/C(=C\[C@H]1C(=O)N2C=CC=CC2=N[C@@H]1N1CCOCC1)C1[NH+]=c2ccccc2=[NH+]1 C1CN(CCO1)[*:1] N#C/C(=C\[C@H]1C(=O)N2C=CC=CC2=N[C@H]1[*:1])C1[NH+]=c2ccccc2=[NH+]1
COc1cccc(NC(=O)Nc2cnn(C(C)C)c2)c1 CC(C)[*:1] COc1cccc(c1)NC(=O)Nc1cnn(c1)[*:1]
COc1ccccc1OCc1cccc(NC(=O)c2ccnc3c2OCO3)c1 COc1ccccc1[*:1] O=C(Nc1cccc(c1)CO[*:1])c1ccnc2OCOc12
COc1ccccc1OCc1cccc(NC(=O)c2ccnc3c2OCO3)c1 COc1ccccc1O[*:1] O=C(Nc1cccc(c1)C[*:1])c1ccnc2OCOc12
CC(C)NC(=O)C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 CC(C)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)Cc1cccc(c1)C(F)(F)F
CC(C)NC(=O)C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC(C)NC(=O)C(=O)N1CCN(CC1)Cc1cccc(c1)[*:1]
CN(C)C(=O)[C@H]1CCCN1c1nc(N(C)C)cc(C(F)(F)F)n1 FC(F)(F)[*:1] CN(C)C(=O)[C@H]1CCCN1c1nc(cc(n1)[*:1])N(C)C
CN(C)C(=O)[C@H]1CCCN1c1nc(N(C)C)cc(C(F)(F)F)n1 CN(C)[*:1] CN(C)C(=O)[C@H]1CCCN1c1nc(cc(n1)[*:1])C(F)(F)F
CN(C)C(=O)[C@H]1CCCN1c1nc(N(C)C)cc(C(F)(F)F)n1 CN(C)C(=O)[*:1] CN(C)c1cc(nc(n1)N1CCC[C@@H]1[*:1])C(F)(F)F
N#Cc1ccccc1NC(=O)CCCS(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] N#Cc1ccccc1NC(=O)CCCS(=O)(=O)C[*:1]
N#Cc1ccccc1NC(=O)CCCS(=O)(=O)Cc1ccccc1 N#Cc1ccccc1[*:1] O=C(CCCS(=O)(=O)Cc1ccccc1)N[*:1]
N#Cc1ccccc1NC(=O)CCCS(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] N#Cc1ccccc1NC(=O)CCCS(=O)(=O)[*:1]
CCC(=O)[C@H](C)Sc1nc2nc(C)cc(C)n2n1 CCC(=O)[*:1] Cc1cc(C)n2nc(nc2n1)S[C@@H](C)[*:1]
CCC(=O)[C@H](C)Sc1nc2nc(C)cc(C)n2n1 CCC(=O)[C@H](C)[*:1] Cc1cc(C)n2nc(nc2n1)S[*:1]
C[NH+]1CCN(Cc2ccccc2C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] C[NH+]1CCN(CC1)Cc1ccccc1C(=O)[*:1]
CCNS(=O)(=O)[C@H]1CCOC[C@H]1Cc1cccc(Cl)c1 CCNS(=O)(=O)[*:1] Clc1cccc(c1)C[C@@H]1COCC[C@@H]1[*:1]
COc1cc(CN2CCO[C@H](c3ccsc3)C2)cc(Br)c1O c1cc(cs1)[*:1] COc1cc(cc(Br)c1O)CN1CCO[C@H](C1)[*:1]
CCc1n[nH]c(=O)c(CNC(=O)c2ccc(-n3ccnn3)cc2)c1CC c1cn(nn1)[*:1] CCc1n[nH]c(=O)c(CNC(=O)c2ccc(cc2)[*:1])c1CC
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)c1cccc(c1)[*:1] COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCOCC1
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(N)(=O)=O)c1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1NC(=O)c1cccc(c1)S(N)(=O)=O)[*:1]
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] COc1ccc(cc1NC(=O)c1cccc(c1)[*:1])S(=O)(=O)N1CCOCC1
O=C(NCc1ccc(F)cc1)[C@H]1CCCN(C(=O)N2CCOc3ccccc32)C1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)N1CCOc2ccccc21
O=C(NCc1ccc(F)cc1)[C@H]1CCCN(C(=O)N2CCOc3ccccc32)C1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)N1CCOc2ccccc21
COC(=O)[C@H](C)NC(=O)COc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 c1cc2OCCOc2cc1[*:1] COC(=O)[C@H](C)NC(=O)COc1ccc2c(=O)c(coc2c1)[*:1]
COC(=O)[C@H](C)NC(=O)COc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 COC(=O)[*:1] C[C@H](NC(=O)COc1ccc2c(=O)c(coc2c1)-c1ccc2OCCOc2c1)[*:1]
O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1[*:1]
O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1C[*:1]
O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1CC[*:1]
O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1CCc1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] O=C1C[C@H](NCC[*:1])C(=O)N1CCc1ccccc1
CC[C@H](C)SC[C@@H]([NH2+]C)c1sccc1C CC[C@H](C)S[*:1] C[NH2+][C@H](C[*:1])c1sccc1C
CC[C@H](C)SC[C@@H]([NH2+]C)c1sccc1C CC[C@H](C)[*:1] C[NH2+][C@H](CS[*:1])c1sccc1C
N#Cc1c(C(F)(F)F)nc2sc3ccccc3n2c1=N FC(F)(F)[*:1] N#Cc1c(nc2sc3ccccc3n2c1=N)[*:1]
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O N#Cc1ccccc1[*:1] CC[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(Cl)cc1
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O Clc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O)[*:1]
CC(C)CCC(=O)Oc1ccc(-n2cnnn2)cc1 CC(C)[*:1] O=C(CC[*:1])Oc1ccc(cc1)-n1cnnn1
CC(C)CCC(=O)Oc1ccc(-n2cnnn2)cc1 CC(C)CC[*:1] O=C(Oc1ccc(cc1)-n1cnnn1)[*:1]
CC(C)CCC(=O)Oc1ccc(-n2cnnn2)cc1 CC(C)C[*:1] O=C(C[*:1])Oc1ccc(cc1)-n1cnnn1
CC(C)CCC(=O)Oc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] CC(C)CCC(=O)Oc1ccc(cc1)[*:1]
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1[*:1])Nc1cccc(c1)C(F)(F)F
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(c1)[*:1]
CC[C@@H](C)n1nccc1NS(=O)(=O)c1c(C)noc1C CC[C@@H](C)[*:1] Cc1noc(C)c1S(=O)(=O)Nc1ccnn1[*:1]
O=C(C[C@H]1S/C(=N\c2ncccn2)NC1=O)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1S/C(=N\c2ncccn2)NC1=O)NCC[*:1]
O=C(C[C@H]1S/C(=N\c2ncccn2)NC1=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(C[C@H]1S/C(=N\c2ncccn2)NC1=O)N[*:1]
O=C(C[C@H]1S/C(=N\c2ncccn2)NC1=O)NCCc1ccccc1 c1cnc(nc1)[*:1] O=C(C[C@H]1SC(=N[*:1])NC1=O)NCCc1ccccc1
O=C(C[C@H]1S/C(=N\c2ncccn2)NC1=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@H]1S/C(=N\c2ncccn2)NC1=O)NC[*:1]
COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC=C(C#N)C#N FC(F)(F)[*:1] COC(=O)c1sccc1Oc1ccc(cc1NC=C(C#N)C#N)[*:1]
COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC=C(C#N)C#N N#CC(C#N)=CN[*:1] COC(=O)c1sccc1Oc1ccc(cc1[*:1])C(F)(F)F
COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC=C(C#N)C#N COC(=O)[*:1] N#CC(C#N)=CNc1cc(ccc1Oc1ccsc1[*:1])C(F)(F)F
COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC=C(C#N)C#N COC(=O)c1sccc1[*:1] N#CC(C#N)=CNc1cc(ccc1O[*:1])C(F)(F)F
COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC=C(C#N)C#N N#CC(C#N)=C[*:1] COC(=O)c1sccc1Oc1ccc(cc1N[*:1])C(F)(F)F
CC(C)[NH+](CCSc1nc(C2CC2)ns1)C(C)C CC(C)[*:1] CC(C)[NH+](CCSc1nc(ns1)C1CC1)[*:1]
CC(C)[NH+](CCSc1nc(C2CC2)ns1)C(C)C C1CC1[*:1] CC(C)[NH+](CCSc1nc(ns1)[*:1])C(C)C
COCCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)n1C Cc1ccccc1[*:1] COCCNC(=O)[C@@H](C)Sc1nnc(n1C)[*:1]
COCCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)n1C COCC[*:1] Cc1ccccc1-c1nnc(S[C@H](C)C(=O)N[*:1])n1C
COCCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)n1C COCCNC(=O)[*:1] Cc1ccccc1-c1nnc(S[C@H](C)[*:1])n1C
COCCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)n1C COC[*:1] Cc1ccccc1-c1nnc(S[C@H](C)C(=O)NC[*:1])n1C
O=C(c1ccc(N2CC[C@@H](O)C2)nc1)N1CCC(Oc2cccnc2)CC1 c1cncc(c1)O[*:1] O=C(c1ccc(nc1)N1CC[C@@H](O)C1)N1CCC(CC1)[*:1]
O=C(c1ccc(N2CC[C@@H](O)C2)nc1)N1CCC(Oc2cccnc2)CC1 c1cncc(c1)[*:1] O=C(c1ccc(nc1)N1CC[C@@H](O)C1)N1CCC(CC1)O[*:1]
O=C(Cc1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 O=[N+]([O-])[*:1] O=C(Cc1ccc(F)cc1)Nc1nc2ccc(cc2s1)[*:1]
O=C(Cc1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 Fc1ccc(cc1)[*:1] O=C(C[*:1])Nc1nc2ccc(cc2s1)[N+](=O)[O-]
C#CCN1CCN(C(=O)N[C@H](Cc2ccccc2OC)C(C)C)CC1 COc1ccccc1[*:1] C#CCN1CCN(CC1)C(=O)N[C@H](C[*:1])C(C)C
C#CCN1CCN(C(=O)N[C@H](Cc2ccccc2OC)C(C)C)CC1 CC(C)[*:1] C#CCN1CCN(CC1)C(=O)N[C@H](Cc1ccccc1OC)[*:1]
C#CCN1CCN(C(=O)N[C@H](Cc2ccccc2OC)C(C)C)CC1 C#CC[*:1] COc1ccccc1C[C@@H](NC(=O)N1CCN(CC1)[*:1])C(C)C
CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(C)[C@H]1[*:1]
O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N[*:1]
O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(Cn1cnc2scc(c2c1=O)[*:1])Nc1ccc2OCOc2c1
CC(C)(C)OC(=O)N[C@@H]1CCN(c2cnccc2C#N)C1 CC(C)(C)[*:1] N#Cc1ccncc1N1CC[C@H](C1)NC(=O)O[*:1]
CC[C@H](CO)NC(=O)NC[C@H](c1ccco1)[NH+](C)C CC[C@H](CO)[*:1] C[NH+](C)[C@H](CNC(=O)N[*:1])c1ccco1
CC[C@H](CO)NC(=O)NC[C@H](c1ccco1)[NH+](C)C c1coc(c1)[*:1] CC[C@H](CO)NC(=O)NC[C@H]([NH+](C)C)[*:1]
O=C(NC[C@H]1C=NN=C1c1ccc(F)cc1)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 Fc1ccc(cc1)[*:1] O=C(NC[C@H]1C=NN=C1c1ccc(F)cc1)[C@@H]1CC(C[*:1])=NO1
O=C(NC[C@H]1C=NN=C1c1ccc(F)cc1)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 Fc1ccc(cc1)C[*:1] O=C(NC[C@H]1C=NN=C1c1ccc(F)cc1)[C@@H]1CC(=NO1)[*:1]
O=C(NC[C@H]1C=NN=C1c1ccc(F)cc1)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 Fc1ccc(cc1)[*:1] O=C(NC[C@H]1C=NN=C1[*:1])[C@@H]1CC(Cc2ccc(F)cc2)=NO1
CNS(=O)(=O)c1ccc([C@@H](C)NCc2cc(C#N)ccc2F)cc1 CNS(=O)(=O)[*:1] C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(cc1)[*:1]
O=C(c1cnn2ccccc12)N1CC[C@@H](Cc2ccc(CO)cc2)C1 OCc1ccc(cc1)[*:1] O=C(c1cnn2ccccc12)N1CC[C@H](C1)C[*:1]
CNC(=O)c1ccccc1NC(=O)Cc1ccc(C)nc1 Cc1ccc(cn1)[*:1] CNC(=O)c1ccccc1NC(=O)C[*:1]
CNC(=O)c1ccccc1NC(=O)Cc1ccc(C)nc1 CNC(=O)[*:1] Cc1ccc(cn1)CC(=O)Nc1ccccc1[*:1]
Cc1cc2nnc(S[C@H](C)C(=O)Nc3cccnc3Cl)n2c(C)n1 Clc1ncccc1[*:1] Cc1cc2nnc(S[C@H](C)C(=O)N[*:1])n2c(C)n1
CC[NH2+][C@@H]1[C@H](CN(C)Cc2ccccn2)CCC1(C)C c1ccc(nc1)[*:1] CC[NH2+][C@@H]1[C@@H](CCC1(C)C)CN(C)C[*:1]
O=C(c1ccccc1)c1ccc(N2CCN(Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 Oc1cccc(c1)[*:1] O=C(c1ccccc1)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C[*:1]
O=C(c1ccccc1)c1ccc(N2CCN(Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 Oc1cccc(c1)C[*:1] O=C(c1ccccc1)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
O=C(c1ccccc1)c1ccc(N2CCN(Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)Cc1cccc(O)c1)[*:1]
O=C(c1ccccc1)c1ccc(N2CCN(Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 O=C(c1ccccc1)[*:1] O=[N+]([O-])c1cc(ccc1N1CCN(CC1)Cc1cccc(O)c1)[*:1]
O=C(c1ccccc1)c1ccc(N2CCN(Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(c1ccccc1)c1ccc(c(c1)[*:1])N1CCN(CC1)Cc1cccc(O)c1
c1cc(-c2cnc(NC[C@H]3COCCO3)nc2C2CC2)ccn1 C1CC1[*:1] c1cc(ccn1)-c1cnc(nc1[*:1])NC[C@H]1COCCO1
c1cc(-c2cnc(NC[C@H]3COCCO3)nc2C2CC2)ccn1 c1cc(ccn1)[*:1] c1nc(nc(c1[*:1])C1CC1)NC[C@H]1COCCO1
COC(=O)C[C@@H]1CCN(C(=O)Nc2cccc([N-]S(C)(=O)=O)c2)C1 COC(=O)C[*:1] CS(=O)(=O)[N-]c1cccc(c1)NC(=O)N1CC[C@H](C1)[*:1]
COC(=O)C[C@@H]1CCN(C(=O)Nc2cccc([N-]S(C)(=O)=O)c2)C1 COC(=O)[*:1] CS(=O)(=O)[N-]c1cccc(c1)NC(=O)N1CC[C@H](C1)C[*:1]
Cc1nc2nc(C)c3c(=O)n(-c4cc(Cl)ccc4C)ccc3n2n1 Cc1ccc(Cl)cc1[*:1] Cc1nc2nc(C)c3c(=O)n(ccc3n2n1)[*:1]
CCOC(=O)[C@H]1CCCc2c1[nH]c1c(C(=O)Nc3ccccc3)cccc21 O=C(Nc1ccccc1)[*:1] CCOC(=O)[C@H]1CCCc2c1[nH]c1c(cccc21)[*:1]
CCOC(=O)[C@H]1CCCc2c1[nH]c1c(C(=O)Nc3ccccc3)cccc21 CCOC(=O)[*:1] O=C(Nc1ccccc1)c1cccc2c3CCC[C@@H](c3[nH]c12)[*:1]
CCOC(=O)[C@H]1CCCc2c1[nH]c1c(C(=O)Nc3ccccc3)cccc21 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCc2c1[nH]c1c(cccc21)C(=O)N[*:1]
CCc1ccc(O)c(NC(=O)[C@H](C)NC(=O)c2ccoc2)c1 c1cc(co1)[*:1] CCc1ccc(O)c(c1)NC(=O)[C@H](C)NC(=O)[*:1]
O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(C(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] O=C(Nc1nnc(o1)-c1ccc(Cl)s1)c1ccc(cc1)[*:1]
O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(C(=O)c2ccccc2)cc1 Clc1ccc(s1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(cc1)C(=O)c1ccccc1
O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1ccc(Cl)s1)c1ccc(cc1)C(=O)[*:1]
Nc1n(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2[n+]1CC[NH+]1CCCCC1 O=[N+]([O-])[*:1] Nc1n(CC(=O)c2cccc(c2)[*:1])c2ccccc2[n+]1CC[NH+]1CCCCC1
Nc1n(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2[n+]1CC[NH+]1CCCCC1 O=[N+]([O-])c1cccc(c1)[*:1] Nc1n(CC(=O)[*:1])c2ccccc2[n+]1CC[NH+]1CCCCC1
C/C(=N/O)c1sc(=O)n(C)c1C CC(=NO)[*:1] Cc1c(sc(=O)n1C)[*:1]
Cc1nc(C)c(C(=O)OCC(=O)N(C)C)s1 CN(C)C(=O)[*:1] Cc1nc(C)c(s1)C(=O)OC[*:1]
CSc1ccccc1NC(=O)c1ccc(N(C)C)nc1 CN(C)[*:1] CSc1ccccc1NC(=O)c1ccc(nc1)[*:1]
Cc1ccc(NC(=O)[C@@H]2CCN(c3cccc4ccccc34)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCN(C1=O)c1cccc2ccccc12
Cc1cc(C(=O)NCc2nnc3ccccn23)c2cnn(Cc3cccs3)c2n1 c1csc(c1)[*:1] Cc1cc(C(=O)NCc2nnc3ccccn23)c2cnn(C[*:1])c2n1
Cc1cc(C(=O)NCc2nnc3ccccn23)c2cnn(Cc3cccs3)c2n1 c1ccn2c(nnc2c1)[*:1] Cc1cc(C(=O)NC[*:1])c2cnn(Cc3cccs3)c2n1
Cc1cc(C(=O)NCc2nnc3ccccn23)c2cnn(Cc3cccs3)c2n1 c1csc(c1)C[*:1] Cc1cc(C(=O)NCc2nnc3ccccn23)c2cnn(c2n1)[*:1]
CCCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 CCCCOC(=O)[*:1] NC1OC2CCCC(=O)C=2[C@@]2(C(=O)Nc3ccccc32)C=1[*:1]
CCCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 CCC[*:1] NC1OC2CCCC(=O)C=2[C@@]2(C(=O)Nc3ccccc32)C=1C(=O)OC[*:1]
CCCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 CCCC[*:1] NC1OC2CCCC(=O)C=2[C@@]2(C(=O)Nc3ccccc32)C=1C(=O)O[*:1]
Cc1ccc2nc(C3CC3)cc(C(=O)N[C@H]3CCCn4c(C)nnc43)c2c1 C1CC1[*:1] Cc1ccc2nc(cc(C(=O)N[C@H]3CCCn4c(C)nnc43)c2c1)[*:1]
CCc1onc(C)c1NC(=O)Cn1c(=O)n(CC)c2ccccc21 CCc1onc(C)c1[*:1] CCn1c(=O)n(CC(=O)N[*:1])c2ccccc21
Cc1onc(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)c1C[NH+](C)C CN(C)[*:1] Cc1onc(C(=O)N2CCC[C@H](C2)c2nc(ncc2-c2ccccc2)[*:1])c1C[NH+](C)C
Cc1onc(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)c1C[NH+](C)C c1ccc(cc1)[*:1] Cc1onc(C(=O)N2CCC[C@H](C2)c2nc(ncc2[*:1])N(C)C)c1C[NH+](C)C
CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O CCC[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)N(Cc1nnc(o1)-c1ccco1)[*:1]
CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O Fc1ccccc1[*:1] CCCN(Cc1nnc(o1)-c1ccco1)C(=O)c1nn(c(C)cc1=O)[*:1]
CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O c1coc(c1)[*:1] CCCN(Cc1nnc(o1)[*:1])C(=O)c1nn(-c2ccccc2F)c(C)cc1=O
CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O c1coc(c1)-c1nnc(o1)[*:1] CCCN(C[*:1])C(=O)c1nn(-c2ccccc2F)c(C)cc1=O
O=C(CC(=O)N/N=C/c1c(F)cccc1Cl)N/N=C/c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] O=C(CC(=O)NN=C[*:1])N/N=C/c1c(F)cccc1Cl
COc1ccc(NC(=O)COc2ccc(C)cc2-n2cnnc2)cc1OC c1nncn1[*:1] COc1ccc(cc1OC)NC(=O)COc1ccc(C)cc1[*:1]
Cc1ccc(Cn2cc(NC(=O)COc3ccc(-n4cnnn4)cc3)cn2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(cc1)-n1cnnn1)Nc1cnn(c1)C[*:1]
Cc1ccc(Cn2cc(NC(=O)COc3ccc(-n4cnnn4)cc3)cn2)cc1 c1nnnn1[*:1] Cc1ccc(cc1)Cn1cc(cn1)NC(=O)COc1ccc(cc1)[*:1]
Cc1ccc(Cn2cc(NC(=O)COc3ccc(-n4cnnn4)cc3)cn2)cc1 Cc1ccc(cc1)C[*:1] O=C(COc1ccc(cc1)-n1cnnn1)Nc1cnn(c1)[*:1]
Cc1ccc(-c2cc(CN3CCO[C@@H](Cn4cccn4)C3)on2)cc1 c1cnn(c1)[*:1] Cc1ccc(cc1)-c1cc(CN2CCO[C@H](C2)C[*:1])on1
Cc1ccc(-c2cc(CN3CCO[C@@H](Cn4cccn4)C3)on2)cc1 Cc1ccc(cc1)[*:1] c1cnn(c1)C[C@H]1CN(CCO1)Cc1cc(no1)[*:1]
Cc1ccc(-c2cc(CN3CCO[C@@H](Cn4cccn4)C3)on2)cc1 c1cnn(c1)C[*:1] Cc1ccc(cc1)-c1cc(CN2CCO[C@@H](C2)[*:1])on1
COc1cccc(C(=O)N2CC[C@@H](C)CC[C@@H]2C(C)C)c1OC CC(C)[*:1] COc1cccc(C(=O)N2CC[C@@H](C)CC[C@H]2[*:1])c1OC
CC(C)COc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C)C1 CC(C)C[*:1] C[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccccc1O[*:1]
CC(C)COc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C)C1 CC(C)[*:1] C[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccccc1OC[*:1]
CC(C)COc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C)C1 CC(C)CO[*:1] C[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccccc1[*:1]
CC(C)OCc1c(C(=O)Oc2ccc3c(c2)CCC(=O)N3)oc2ccccc12 CC(C)[*:1] O=C1CCc2cc(ccc2N1)OC(=O)c1oc2ccccc2c1CO[*:1]
CC(C)OCc1c(C(=O)Oc2ccc3c(c2)CCC(=O)N3)oc2ccccc12 CC(C)OC[*:1] O=C1CCc2cc(ccc2N1)OC(=O)c1oc2ccccc2c1[*:1]
CC(C)OCc1c(C(=O)Oc2ccc3c(c2)CCC(=O)N3)oc2ccccc12 CC(C)O[*:1] O=C1CCc2cc(ccc2N1)OC(=O)c1oc2ccccc2c1C[*:1]
CCOc1ccccc1NC(=O)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 CCO[*:1] O=C(Nc1ccccc1[*:1])N1CCS[C@@H]1c1ccc(cc1)C(F)(F)F
CCOc1ccccc1NC(=O)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCOc1ccccc1NC(=O)N1CCS[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccccc1NC(=O)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 CCOc1ccccc1[*:1] O=C(N[*:1])N1CCS[C@@H]1c1ccc(cc1)C(F)(F)F
CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)CCC(C)C)c1C CC(C)C[*:1] CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)CCC(C)C)c1C CC(C)CC[*:1] CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)CCC(C)C)c1C CC(C)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)CC[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)CCC(C)C)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N[C@@H](C)CCC(C)C)c(C)c1[*:1]
O=C(CCCc1cc(Cl)sc1Cl)NCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(CCCc1cc(Cl)sc1Cl)NCC[*:1]
O=C(CCCc1cc(Cl)sc1Cl)NCCN1CCOCC1 Clc1cc(c(Cl)s1)[*:1] O=C(CCC[*:1])NCCN1CCOCC1
O=C(CCCc1cc(Cl)sc1Cl)NCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CCCc1cc(Cl)sc1Cl)NC[*:1]
C[C@@H](C(=O)N1CCCC[C@H]1C1OCCO1)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)N1CCCC[C@H]1C1OCCO1)[*:1]
C[C@@H](C(=O)N1CCCC[C@H]1C1OCCO1)c1cccs1 C1COC(O1)[*:1] C[C@@H](C(=O)N1CCCC[C@@H]1[*:1])c1cccs1
Cc1ccncc1NC(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1ccncc1NC(=O)N1CC=C(CC1)[*:1]
Cc1ccncc1NC(=O)N1CC=C(c2ccccc2Cl)CC1 Cc1ccncc1[*:1] O=C(N[*:1])N1CC=C(CC1)c1ccccc1Cl
Cc1cccc(NC(=O)c2cccc(C)c2NC(=O)c2ccccc2F)c1 Cc1cccc(c1)[*:1] Cc1cccc(C(=O)N[*:1])c1NC(=O)c1ccccc1F
Cc1cccc(NC(=O)c2cccc(C)c2NC(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1cccc(c1)NC(=O)c1cccc(C)c1NC(=O)[*:1]
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H](C)Cc1c(C)noc1C Cc1noc(C)c1C[*:1] CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H](C)[*:1]
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H](C)Cc1c(C)noc1C Cc1noc(C)c1[*:1] CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H](C)C[*:1]
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H](C)Cc1c(C)noc1C Cc1ccc(cc1)[*:1] CCN(C[C@@H](O)[*:1])C(=O)[C@H](C)Cc1c(C)noc1C
Cc1ncc([C@H](C)N[C@@H]2CCc3c(Br)cccc32)s1 Cc1ncc(s1)[*:1] C[C@H](N[C@@H]1CCc2c(Br)cccc21)[*:1]
COc1ccc(OC)c(NC(=O)Cn2c(-c3ccc(F)cc3)ncc(C#N)c2=O)c1 COc1ccc(OC)c(c1)[*:1] N#Cc1cnc(-c2ccc(F)cc2)n(CC(=O)N[*:1])c1=O
COc1ccc(OC)c(NC(=O)Cn2c(-c3ccc(F)cc3)ncc(C#N)c2=O)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)Cn1c(ncc(C#N)c1=O)[*:1]
CCCn1c(CCCCO)nc2cc(C#N)ccc21 OCC[*:1] CCCn1c(CC[*:1])nc2cc(C#N)ccc21
CCCn1c(CCCCO)nc2cc(C#N)ccc21 CCC[*:1] N#Cc1ccc2c(c1)nc(CCCCO)n2[*:1]
CCCn1c(CCCCO)nc2cc(C#N)ccc21 OCCCC[*:1] CCCn1c(nc2cc(C#N)ccc21)[*:1]
CCCn1c(CCCCO)nc2cc(C#N)ccc21 OCCC[*:1] CCCn1c(C[*:1])nc2cc(C#N)ccc21
CC(C)Oc1ccc2c(NC(=O)[C@@H]([NH3+])[C@@H](C)O)nn(Cc3ccccc3)c2c1 c1ccc(cc1)C[*:1] CC(C)Oc1ccc2c(nn(c2c1)[*:1])NC(=O)[C@@H]([NH3+])[C@@H](C)O
CC(C)Oc1ccc2c(NC(=O)[C@@H]([NH3+])[C@@H](C)O)nn(Cc3ccccc3)c2c1 CC(C)O[*:1] C[C@@H](O)[C@H]([NH3+])C(=O)Nc1nn(Cc2ccccc2)c2cc(ccc12)[*:1]
CC(C)Oc1ccc2c(NC(=O)[C@@H]([NH3+])[C@@H](C)O)nn(Cc3ccccc3)c2c1 CC(C)[*:1] C[C@@H](O)[C@H]([NH3+])C(=O)Nc1nn(Cc2ccccc2)c2cc(ccc12)O[*:1]
CC(C)Oc1ccc2c(NC(=O)[C@@H]([NH3+])[C@@H](C)O)nn(Cc3ccccc3)c2c1 c1ccc(cc1)[*:1] CC(C)Oc1ccc2c(nn(C[*:1])c2c1)NC(=O)[C@@H]([NH3+])[C@@H](C)O
Cc1nn(C)c(N2CCC[NH+](C)CC2)c1C[NH2+]C(C)C CC(C)[NH2+]C[*:1] Cc1nn(C)c(c1[*:1])N1CCC[NH+](C)CC1
Cc1nn(C)c(N2CCC[NH+](C)CC2)c1C[NH2+]C(C)C CC(C)[*:1] Cc1nn(C)c(c1C[NH2+][*:1])N1CCC[NH+](C)CC1
S=C(NCCc1ccccc1)Nc1ccc2cn[nH]c2c1 c1ccc(cc1)C[*:1] S=C(NC[*:1])Nc1ccc2cn[nH]c2c1
S=C(NCCc1ccccc1)Nc1ccc2cn[nH]c2c1 c1ccc(cc1)[*:1] S=C(NCC[*:1])Nc1ccc2cn[nH]c2c1
COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 c1ccc(cc1)[*:1] COC(=O)[C@@]1(F)CCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 COC(=O)[*:1] O=S(=O)(c1ccc(cc1)-c1ccccc1)N1CC[C@](F)(C1)[*:1]
Cc1ccc(Oc2ncnc(N3CCC[C@@H](C)C3)c2N)cc1C C[C@@H]1CCCN(C1)[*:1] Cc1ccc(cc1C)Oc1ncnc(c1N)[*:1]
CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](CC1)C[*:1]
CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](CC1)[*:1]
CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](CC1)CC[*:1]
C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl NC(=O)[*:1] C[C@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])c1ccccc1Cl
C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl O=[N+]([O-])[*:1] C[C@H](Nc1ccc(cc1[*:1])C(N)=O)c1ccccc1Cl
C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](Nc1ccc(cc1[N+](=O)[O-])C(N)=O)[*:1]
COc1ccc2c(c1)CCC/C2=N/NC(=O)c1ccoc1C Cc1occc1[*:1] COc1ccc2/C(CCCc2c1)=N\NC(=O)[*:1]
COc1cccc(C[C@@H](C)N[C@@H](C)c2ccnc(Cl)c2)c1 Clc1cc(ccn1)[*:1] COc1cccc(c1)C[C@@H](C)N[C@@H](C)[*:1]
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(N)=O NC(=O)[*:1] N#CC(=Cc1c(ccc2ccccc12)OCc1ccc(Cl)cc1)[*:1]
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(N)=O Clc1ccc(cc1)[*:1] N#C/C(=C\c1c(ccc2ccccc12)OC[*:1])C(N)=O
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(N)=O Clc1ccc(cc1)C[*:1] N#C/C(=C\c1c(ccc2ccccc12)O[*:1])C(N)=O
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(N)=O N#CC(=C[*:1])C(N)=O Clc1ccc(cc1)COc1ccc2ccccc2c1[*:1]
O=C(Nc1ccc(Br)cc1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cc1)c1cccc(c1)NS(=O)(=O)[*:1]
O=C(Nc1ccc(Br)cc1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 Brc1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)NS(=O)(=O)c1ccc(F)cc1
O=C([O-])[C@H]1CSCN1C(=O)c1occc1-c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H]1CSCN1C(=O)c1occc1[*:1]
O=C([O-])[C@H]1CSCN1C(=O)c1occc1-c1ccccc1 O=C([O-])[*:1] O=C(c1occc1-c1ccccc1)N1CSC[C@@H]1[*:1]
N#Cc1ccc(Cl)cc1NC[C@@H](O)C1CCOCC1 C1CC(CCO1)[*:1] N#Cc1ccc(Cl)cc1NC[C@@H](O)[*:1]
COc1ccc(Cc2nnc(NC(=O)Cn3ccc4cc(OC)ccc43)s2)cc1 COc1ccc(cc1)C[*:1] COc1ccc2c(ccn2CC(=O)Nc2nnc(s2)[*:1])c1
COc1ccc(Cc2nnc(NC(=O)Cn3ccc4cc(OC)ccc43)s2)cc1 COc1ccc(cc1)[*:1] COc1ccc2c(ccn2CC(=O)Nc2nnc(C[*:1])s2)c1
CC[NH+]1CCN(C(=O)c2ccccc2C(=O)[O-])CC1 O=C([O-])[*:1] CC[NH+]1CCN(CC1)C(=O)c1ccccc1[*:1]
COc1ccc(NC(=O)N[C@H](C)CCCO)cc1OC OCC[*:1] COc1ccc(cc1OC)NC(=O)N[C@H](C)C[*:1]
COc1ccc(NC(=O)N[C@H](C)CCCO)cc1OC C[C@H](CCCO)[*:1] COc1ccc(cc1OC)NC(=O)N[*:1]
COc1ccc(NC(=O)N[C@H](C)CCCO)cc1OC OCCC[*:1] COc1ccc(cc1OC)NC(=O)N[C@H](C)[*:1]
COc1ccc(OC)c(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c1 Clc1cccc(c1)[*:1] COc1ccc(OC)c(c1)N(CC(=O)N[*:1])S(C)(=O)=O
Fc1cccc2c1OCC[C@H]2NCc1nncn1C1CC1 C1CC1[*:1] Fc1cccc2c1OCC[C@H]2NCc1nncn1[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H](OC)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H](OC)[*:1]
CC(=O)N1[C@@H](Nc2ccc(Cl)cc2)CCN1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1[C@H](CCN1[*:1])Nc1ccc(Cl)cc1
CC(=O)N1[C@@H](Nc2ccc(Cl)cc2)CCN1c1ccccc1 Clc1ccc(cc1)[*:1] CC(=O)N1[C@H](CCN1c1ccccc1)N[*:1]
COc1cccc([C@H](CO)NC(=O)c2nnn(-c3ccc(C)cc3)c2C)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)[C@H](CO)NC(=O)c1nnn(c1C)[*:1]
COc1cccc([C@H](CO)NC(=O)c2nnn(-c3ccc(C)cc3)c2C)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N[C@@H](CO)[*:1])c1C
CCCCCc1ccc(-c2nnc(N)s2)cc1 CCCCC[*:1] Nc1nnc(s1)-c1ccc(cc1)[*:1]
CCCCCc1ccc(-c2nnc(N)s2)cc1 CCCC[*:1] Nc1nnc(s1)-c1ccc(cc1)C[*:1]
CCCCCc1ccc(-c2nnc(N)s2)cc1 CCC[*:1] Nc1nnc(s1)-c1ccc(cc1)CC[*:1]
Clc1ccc(OCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1Cl Clc1ccc(cc1Cl)O[*:1] c1ccc(cc1)-n1ncc2c1ncn1nc(C[*:1])nc21
Clc1ccc(OCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1Cl Clc1ccc(cc1Cl)[*:1] c1ccc(cc1)-n1ncc2c1ncn1nc(CO[*:1])nc21
Clc1ccc(OCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1Cl c1ccc(cc1)[*:1] Clc1ccc(cc1Cl)OCc1nc2c3cnn(c3ncn2n1)[*:1]
CCC[C@H](CS)CN1C(=O)N[C@](C)(c2ccco2)C1=O CCC[*:1] C[C@@]1(NC(=O)N(C[C@@H](CS)[*:1])C1=O)c1ccco1
CCC[C@H](CS)CN1C(=O)N[C@](C)(c2ccco2)C1=O c1coc(c1)[*:1] CCC[C@H](CS)CN1C(=O)N[C@](C)(C1=O)[*:1]
CCC[C@H](CS)CN1C(=O)N[C@](C)(c2ccco2)C1=O CCC[C@H](CS)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccco1
COC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)[*:1]
COC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F COC(=O)[*:1] O=C(N[C@H](C(F)(F)F)[*:1])c1ccc(Cl)cc1Cl
Cc1noc(CN2CCN(C(=O)[C@@H](Oc3cccc(Cl)c3)C(C)C)CC2)n1 CC(C)[*:1] Cc1noc(CN2CCN(CC2)C(=O)[C@@H](Oc2cccc(Cl)c2)[*:1])n1
Cc1noc(CN2CCN(C(=O)[C@@H](Oc3cccc(Cl)c3)C(C)C)CC2)n1 Clc1cccc(c1)[*:1] Cc1noc(CN2CCN(CC2)C(=O)[C@@H](O[*:1])C(C)C)n1
Cc1noc(CN2CCN(C(=O)[C@@H](Oc3cccc(Cl)c3)C(C)C)CC2)n1 Clc1cccc(c1)O[*:1] Cc1noc(CN2CCN(CC2)C(=O)[C@@H](C(C)C)[*:1])n1
Cc1noc(CN2CCN(C(=O)[C@@H](Oc3cccc(Cl)c3)C(C)C)CC2)n1 Cc1noc(C[*:1])n1 CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)[*:1]
Cc1noc(CN2CCN(C(=O)[C@@H](Oc3cccc(Cl)c3)C(C)C)CC2)n1 Cc1noc(n1)[*:1] CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)C[*:1]
Cc1ccc(C)c([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)c1 CC(C)(C)[*:1] Cc1ccc(C)c(c1)[C@H]1CCN(CC1=O)C(=O)O[*:1]
N#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] N#C/C(=C\C=C[*:1])C(=O)Nc1ccc(F)cc1
N#C/C(=C\C=C\c1ccccc1)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#C/C(=C\C=C\c1ccccc1)C(=O)N[*:1]
Cc1nc(Oc2ccccc2F)c2oc3ccccc3c2n1 Fc1ccccc1[*:1] Cc1nc(O[*:1])c2oc3ccccc3c2n1
COc1cc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc(OC)c1OC Nc1cc(=O)[nH]c(n1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)CS[*:1]
COCCn1ccc2ccc(NC(=O)[C@H]3Cc4ccccc4O3)cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)[C@H]1Cc2ccccc2O1
COCCn1ccc2ccc(NC(=O)[C@H]3Cc4ccccc4O3)cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])[C@H]1Cc2ccccc2O1
FC(F)(F)c1ccc(-c2nc(Cc3ccccc3)no2)cn1 c1ccc(cc1)C[*:1] FC(F)(F)c1ccc(cn1)-c1nc(no1)[*:1]
FC(F)(F)c1ccc(-c2nc(Cc3ccccc3)no2)cn1 c1ccc(cc1)[*:1] FC(F)(F)c1ccc(cn1)-c1nc(C[*:1])no1
FC(F)(F)c1ccc(-c2nc(Cc3ccccc3)no2)cn1 FC(F)(F)[*:1] c1ccc(cc1)Cc1noc(n1)-c1ccc(nc1)[*:1]
O=C(Nc1ccccc1F)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 Fc1ccccc1[*:1] O=C(N[*:1])N1CCC[C@@H](C1)c1nnc(o1)C(F)(F)F
O=C(Nc1ccccc1F)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1F)N1CCC[C@@H](C1)c1nnc(o1)[*:1]
COC1CCN(C(=O)COc2ccc(C(C)=O)cc2)CC1 CC(=O)[*:1] COC1CCN(CC1)C(=O)COc1ccc(cc1)[*:1]
CO[C@@]1(C)C[C@H](NC(=O)NCc2cscn2)C1(C)C c1nc(cs1)[*:1] CO[C@@]1(C)C[C@H](NC(=O)NC[*:1])C1(C)C
CO[C@@]1(C)C[C@H](NC(=O)NCc2cscn2)C1(C)C c1nc(cs1)C[*:1] CO[C@@]1(C)C[C@H](NC(=O)N[*:1])C1(C)C
CC(C)Oc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] CC(C)Oc1cccc(c1)CNC(=O)Cc1ccc(cc1)[*:1]
CC(C)Oc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 CC(C)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])NCc1cccc(c1)O[*:1]
CC(C)Oc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 CC(C)O[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])NCc1cccc(c1)[*:1]
Cc1cccc(NC(=O)NC[C@H]2COc3ccccc3O2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@H]1COc2ccccc2O1)N[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1ccc(-n2nc(C)cc2C)c(F)c1 CNC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)C(=O)N(C)C[C@@H](C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1ccc(-n2nc(C)cc2C)c(F)c1 Cc1cc(C)n(n1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)c1ccc(c(F)c1)[*:1]
CC(C)[C@H](O)CCNC(=O)N[C@@H](C)c1cccc(Cl)c1Cl CC(C)[C@H](O)CC[*:1] C[C@H](NC(=O)N[*:1])c1cccc(Cl)c1Cl
CC(C)[C@H](O)CCNC(=O)N[C@@H](C)c1cccc(Cl)c1Cl CC(C)[C@H](O)C[*:1] C[C@H](NC(=O)NC[*:1])c1cccc(Cl)c1Cl
CC(C)[C@H](O)CCNC(=O)N[C@@H](C)c1cccc(Cl)c1Cl CC(C)[*:1] C[C@H](NC(=O)NCC[C@@H](O)[*:1])c1cccc(Cl)c1Cl
CC(C)[C@H](O)CCNC(=O)N[C@@H](C)c1cccc(Cl)c1Cl CC(C)[C@H](O)[*:1] C[C@H](NC(=O)NCC[*:1])c1cccc(Cl)c1Cl
O=C(Nc1ccnn1C1CCCC1)c1cc(Br)c[nH]1 Brc1c[nH]c(c1)[*:1] O=C(Nc1ccnn1C1CCCC1)[*:1]
O=C(Nc1ccnn1C1CCCC1)c1cc(Br)c[nH]1 C1CCC(C1)[*:1] O=C(Nc1ccnn1[*:1])c1cc(Br)c[nH]1
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl Cc1cc(Cl)ccc1[*:1] C[C@H](O[*:1])C(=O)Nc1cc(ccc1Cl)S(C)(=O)=O
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(ccc1Cl)[*:1]
CC(C)Cc1ncc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)s1 CC(C)[*:1] O=C(NC1CC[NH+](CC1)Cc1cnc(C[*:1])s1)c1ccsc1
CC(C)Cc1ncc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)s1 O=C(N[*:1])c1ccsc1 CC(C)Cc1ncc(C[NH+]2CCC(CC2)[*:1])s1
CC(C)Cc1ncc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)s1 CC(C)C[*:1] O=C(NC1CC[NH+](CC1)Cc1cnc(s1)[*:1])c1ccsc1
CC(C)Cc1ncc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)s1 c1cc(cs1)[*:1] CC(C)Cc1ncc(C[NH+]2CCC(CC2)NC(=O)[*:1])s1
O=C(NCC[NH+]1CCC(c2ccsc2)CC1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCC[NH+]1CCC(CC1)c1ccsc1)c1ccccc1[*:1]
O=C(NCC[NH+]1CCC(c2ccsc2)CC1)c1ccccc1[N+](=O)[O-] c1cc(cs1)[*:1] O=C(NCC[NH+]1CCC(CC1)[*:1])c1ccccc1[N+](=O)[O-]
O=C(C[C@H]1NC(=O)c2ccccc21)NCc1cccnc1 c1cncc(c1)[*:1] O=C(C[C@H]1NC(=O)c2ccccc21)NC[*:1]
O=C(C[C@H]1NC(=O)c2ccccc21)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(C[C@H]1NC(=O)c2ccccc21)N[*:1]
CC[NH2+][C@@H]1[C@@H](n2cc[nH+]c2-c2cccs2)CCC1(C)C c1csc(c1)[*:1] CC[NH2+][C@@H]1[C@H](CCC1(C)C)n1cc[nH+]c1[*:1]
CC(=O)Nc1cccc([C@H]2OC(c3cc(Br)ccc3OC(C)=O)=NN2C(C)=O)c1 CC(=O)O[*:1] CC(=O)Nc1cccc(c1)[C@H]1OC(=NN1C(C)=O)c1cc(Br)ccc1[*:1]
CC(=O)Nc1cccc([C@H]2OC(c3cc(Br)ccc3OC(C)=O)=NN2C(C)=O)c1 CC(=O)N[*:1] CC(=O)Oc1ccc(Br)cc1C1=NN(C(C)=O)[C@H](O1)c1cccc(c1)[*:1]
O=C(Nc1nc(-c2ccccc2F)n[n-]1)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] O=C(Nc1nc(n[n-]1)-c1ccccc1F)c1[nH]nc(c1Cl)[*:1]
O=C(Nc1nc(-c2ccccc2F)n[n-]1)c1[nH]nc(C2CC2)c1Cl Fc1ccccc1[*:1] O=C(Nc1nc(n[n-]1)[*:1])c1[nH]nc(c1Cl)C1CC1
C[C@H]1CN(C(=O)Nc2cnn(C(C)(C)C)c2)C[C@@H](C)S1 CC(C)(C)[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)Nc1cnn(c1)[*:1]
CCCc1c(C(=O)N(C)OC)cnn1Cc1ccccc1 CCC[*:1] CON(C)C(=O)c1cnn(Cc2ccccc2)c1[*:1]
CCCc1c(C(=O)N(C)OC)cnn1Cc1ccccc1 c1ccc(cc1)C[*:1] CCCc1c(cnn1[*:1])C(=O)N(C)OC
CCCc1c(C(=O)N(C)OC)cnn1Cc1ccccc1 c1ccc(cc1)[*:1] CCCc1c(cnn1C[*:1])C(=O)N(C)OC
CCCc1c(C(=O)N(C)OC)cnn1Cc1ccccc1 CON(C)C(=O)[*:1] CCCc1c(cnn1Cc1ccccc1)[*:1]
Cc1ccc(C(=O)NCCOCC(F)(F)F)c(F)c1 FC(F)(F)CO[*:1] Cc1ccc(C(=O)NCC[*:1])c(F)c1
Cc1ccc(C(=O)NCCOCC(F)(F)F)c(F)c1 FC(F)(F)C[*:1] Cc1ccc(C(=O)NCCO[*:1])c(F)c1
Cc1ccc(C(=O)NCCOCC(F)(F)F)c(F)c1 FC(F)(F)[*:1] Cc1ccc(C(=O)NCCOC[*:1])c(F)c1
CC(C)[C@@H](C(=O)NN)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](C(=O)NN)[*:1]
CC(C)[C@@H](C(=O)NN)N1CC[NH+](C)CC1 NNC(=O)[*:1] CC(C)[C@@H](N1CC[NH+](C)CC1)[*:1]
CCc1c(C(=O)N2CCCC2)cnn1-c1ccc(OC)nn1 O=C(N1CCCC1)[*:1] CCc1c(cnn1-c1ccc(nn1)OC)[*:1]
NC(=S)[C@H](NC(=O)N[C@@H]1CCOC1)C1CC1 C1C[C@H](CO1)[*:1] NC(=S)[C@H](NC(=O)N[*:1])C1CC1
NC(=S)[C@H](NC(=O)N[C@@H]1CCOC1)C1CC1 NC(=S)[*:1] O=C(N[C@@H]1CCOC1)N[C@H](C1CC1)[*:1]
NC(=S)[C@H](NC(=O)N[C@@H]1CCOC1)C1CC1 C1CC1[*:1] NC(=S)[C@H](NC(=O)N[C@@H]1CCOC1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccco1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2Cl)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[*:1])c1ccccc1Cl
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2Cl)cc1 O=C(NCc1ccco1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccccc1Cl
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2Cl)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NC[*:1])c1ccccc1Cl
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(CN(c1ccccc1Cl)S(=O)(=O)[*:1])NCc1ccco1
CN(C)c1cncc([C@H]2CCCN2c2ncccn2)n1 CN(C)[*:1] c1cnc(nc1)N1CCC[C@@H]1c1cncc(n1)[*:1]
CN(C)c1cncc([C@H]2CCCN2c2ncccn2)n1 c1cnc(nc1)[*:1] CN(C)c1cncc(n1)[C@H]1CCCN1[*:1]
CC(C)C[C@@H](C[NH3+])C[NH+]1CCC2(CCCCC2)CC1 CC(C)[*:1] [NH3+]C[C@@H](C[NH+]1CCC2(CCCCC2)CC1)C[*:1]
CC(C)C[C@@H](C[NH3+])C[NH+]1CCC2(CCCCC2)CC1 CC(C)C[*:1] [NH3+]C[C@@H](C[NH+]1CCC2(CCCCC2)CC1)[*:1]
C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)c1noc(-c2ccc(Cl)cc2)n1 C[C@@H](O)C[*:1] C[C@H](NC(=O)NC[C@H](C)[*:1])c1noc(n1)-c1ccc(Cl)cc1
C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)c1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)c1noc(n1)[*:1]
C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)c1noc(-c2ccc(Cl)cc2)n1 C[C@@H](O)[*:1] C[C@H](NC(=O)NC[C@H](C)C[*:1])c1noc(n1)-c1ccc(Cl)cc1
O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F c1ccc(cc1)C[*:1] O=C(Nc1ccc(F)cc1)[C@H](NS(=O)(=O)c1ccccc1F)[*:1]
O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)[C@H](C[*:1])NS(=O)(=O)c1ccccc1F
O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)[*:1]
O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F Fc1ccc(cc1)[*:1] O=C(N[*:1])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F
O=C(Nc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1)c1cccs1 c1csc(c1)[*:1] O=C(c1cccc(c1)NC(=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(Nc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(c1cccc(c1)[*:1])N1CCN(CC1)c1ccccc1
O=C(Nc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1)c1cccs1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCN(CC1)[*:1])c1cccs1
COc1ccc(F)cc1C(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] COc1ccc(F)cc1C(=O)N1CCOC[C@H]1[*:1]
c1nc(C2CCC2)sc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 C1CC(C1)[*:1] c1nc(sc1C[NH+]1C[C@@H]2CCCC[C@H]2C1)[*:1]
COc1ccccc1COC1CCN(C(=O)N[C@H]2CCO[C@@H]2C)CC1 COc1ccccc1[*:1] C[C@H]1OCC[C@@H]1NC(=O)N1CCC(CC1)OC[*:1]
C[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1ccco1)c1ccc(Cl)s1 O[C@@H](c1ccco1)[*:1] C[C@H](NC(=O)N[C@H](C)C[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1ccco1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1ccco1)[*:1]
C[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1ccco1)c1ccc(Cl)s1 c1coc(c1)[*:1] C[C@H](NC(=O)N[C@H](C)C[C@@H](O)[*:1])c1ccc(Cl)s1
C#CC[C@@H](C)OC(=O)[C@@H](C)c1ccc(OC)c(OC)c1 C#CC[*:1] COc1ccc(cc1OC)[C@H](C)C(=O)O[C@H](C)[*:1]
COCCNc1cc(C)[nH+]c2cc(C(=O)[O-])ccc12 COC[*:1] Cc1cc(NC[*:1])c2ccc(cc2[nH+]1)C(=O)[O-]
COCCNc1cc(C)[nH+]c2cc(C(=O)[O-])ccc12 O=C([O-])[*:1] COCCNc1cc(C)[nH+]c2cc(ccc12)[*:1]
COCCNc1cc(C)[nH+]c2cc(C(=O)[O-])ccc12 COCC[*:1] Cc1cc(N[*:1])c2ccc(cc2[nH+]1)C(=O)[O-]
COCCNc1cc(C)[nH+]c2cc(C(=O)[O-])ccc12 COCCN[*:1] Cc1cc(c2ccc(cc2[nH+]1)C(=O)[O-])[*:1]
CCC(=O)N1c2ccc(S(=O)(=O)NC3CCCC3)cc2C[C@@H]1C C1CCC(C1)[*:1] CCC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)N[*:1]
O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc2CCSc2c(=O)n1-c1ccc(F)cc1)N1CCN(CC1)[*:1]
O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)N1CCN(c2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(CSc1nc2CCSc2c(=O)n1[*:1])N1CCN(CC1)c1ccccc1
COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)-c1ccc(=O)n(CC(=O)N[*:1])n1
COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1ccc(=O)n(CC(=O)Nc2ccc(cc2)[*:1])n1
COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
Cc1cc(NC(=O)N[C@H]2CCc3ccccc32)no1 Cc1cc(no1)[*:1] O=C(N[C@H]1CCc2ccccc21)N[*:1]
COc1ccc2nc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(C)=O)sc2c1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc2nc(NC(=O)[C@H](C[*:1])NC(C)=O)sc2c1
COc1ccc2nc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(C)=O)sc2c1 CC(=O)N[*:1] COc1ccc2nc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)[*:1])sc2c1
C=CCc1cc(F)ccc1OCC(=O)NN NNC(=O)[*:1] C=CCc1cc(F)ccc1OC[*:1]
C=CCc1cc(F)ccc1OCC(=O)NN NNC(=O)C[*:1] C=CCc1cc(F)ccc1O[*:1]
C=CCc1cc(F)ccc1OCC(=O)NN C=CC[*:1] NNC(=O)COc1ccc(F)cc1[*:1]
CCc1nn(C)cc1NC(=O)CNS(=O)(=O)CC CCS(=O)(=O)N[*:1] CCc1nn(C)cc1NC(=O)C[*:1]
C[C@@H](NC(=O)c1ccncc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccncc1)c1nc2ccccc2n1C[*:1]
C[C@@H](NC(=O)c1ccncc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 O=C(N[*:1])c1ccncc1 C[C@@H](c1nc2ccccc2n1Cc1ccc(Cl)cc1)[*:1]
C[C@@H](NC(=O)c1ccncc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@@H](NC(=O)c1ccncc1)c1nc2ccccc2n1[*:1]
C[C@@H](NC(=O)c1ccncc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1Cc1ccc(Cl)cc1
CCCCOc1cccc(-c2[nH]nc(C)c2C[NH2+]C)c1 CCCC[*:1] C[NH2+]Cc1c(C)n[nH]c1-c1cccc(c1)O[*:1]
CCCCOc1cccc(-c2[nH]nc(C)c2C[NH2+]C)c1 CCCCO[*:1] C[NH2+]Cc1c(C)n[nH]c1-c1cccc(c1)[*:1]
CCCCOc1cccc(-c2[nH]nc(C)c2C[NH2+]C)c1 CCC[*:1] C[NH2+]Cc1c(C)n[nH]c1-c1cccc(c1)OC[*:1]
CN(C(=O)C1=Cc2cc(F)ccc2OC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)C1=Cc2cc(F)ccc2OC1)[C@@H]1CCCC[C@@H]1[*:1]
CC(C)Cc1cc(-c2nccn2Cc2nnc3n2CCC3)n[nH]1 CC(C)C[*:1] c1cn(Cc2nnc3CCCn32)c(n1)-c1cc([nH]n1)[*:1]
CC(C)Cc1cc(-c2nccn2Cc2nnc3n2CCC3)n[nH]1 CC(C)[*:1] c1cn(Cc2nnc3CCCn32)c(n1)-c1cc(C[*:1])[nH]n1
CCc1ccsc1C(=O)NC[C@@H](C)Nc1ccccc1 c1ccc(cc1)[*:1] CCc1ccsc1C(=O)NC[C@@H](C)N[*:1]
CC(C)COc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 CC(C)CO[*:1] N#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1[*:1]
CC(C)COc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] CC(C)COc1nc2ccccc2nc1[C@@H](C#N)[*:1]
CC(C)COc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC(C)COc1nc2ccccc2nc1[C@@H](C#N)C(=O)N[*:1]
CC(C)COc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 CC(C)[*:1] N#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1OC[*:1]
CC(C)COc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 CC(C)C[*:1] N#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1O[*:1]
CC(C)(C)OC(=O)NNC(=O)NCc1cn2ccsc2n1 CC(C)(C)[*:1] O=C(NCc1cn2ccsc2n1)NNC(=O)O[*:1]
N/C(=N/OCc1cccc2ccccc12)C(F)(F)F FC(F)(F)[*:1] N/C(=N/OCc1cccc2ccccc12)[*:1]
CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(OCc3cscn3)cc2)C(=O)O1 c1nc(cs1)[*:1] CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(cc2)OC[*:1])C(=O)O1
CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(OCc3cscn3)cc2)C(=O)O1 c1nc(cs1)C[*:1] CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(cc2)O[*:1])C(=O)O1
CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(OCc3cscn3)cc2)C(=O)O1 c1nc(cs1)CO[*:1] CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(cc2)[*:1])C(=O)O1
COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)c2ccccc12 c1ccc(cc1)[*:1] COc1ccc(/C=C(\C#N)C(=O)Nc2nc(cs2)[*:1])c2ccccc12
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 CC(C)Oc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccccc1NC(=S)NC(=O)[*:1]
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 CC(C)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccccc1NC(=S)NC(=O)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 CC(C)O[*:1] C[NH+]1CCN(CC1)C(=O)c1ccccc1NC(=S)NC(=O)c1ccc(cc1)[*:1]
COc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)C)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C(=O)N1CCC[C@H]1C(=O)N(C)C
COc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)C)ccc1OC(C)C CN(C)C(=O)[*:1] COc1cc(ccc1OC(C)C)C(=O)N1CCC[C@@H]1[*:1]
COc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)C)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C(=O)N1CCC[C@H]1C(=O)N(C)C
Cc1cc(N(C)[C@H](C)C(=O)[O-])ncc1[N+](=O)[O-] O=C([O-])[*:1] Cc1cc(ncc1[N+](=O)[O-])N(C)[C@H](C)[*:1]
Cc1cc(N(C)[C@H](C)C(=O)[O-])ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N(C)[C@H](C)C(=O)[O-]
Cc1cn2c(=O)cc(COc3cccc(NC(=O)CC(C)C)c3)nc2s1 CC(C)CC(=O)N[*:1] Cc1cn2c(=O)cc(COc3cccc(c3)[*:1])nc2s1
Cc1cn2c(=O)cc(COc3cccc(NC(=O)CC(C)C)c3)nc2s1 CC(C)[*:1] Cc1cn2c(=O)cc(COc3cccc(c3)NC(=O)C[*:1])nc2s1
Cc1cn2c(=O)cc(COc3cccc(NC(=O)CC(C)C)c3)nc2s1 CC(C)C[*:1] Cc1cn2c(=O)cc(COc3cccc(c3)NC(=O)[*:1])nc2s1
Cc1ccc(CNC(=O)NCC(=O)NC[C@@H]2Cc3ccccc3O2)cc1 Cc1ccc(cc1)[*:1] O=C(CNC(=O)NC[*:1])NC[C@@H]1Cc2ccccc2O1
Cc1ccc(CNC(=O)NCC(=O)NC[C@@H]2Cc3ccccc3O2)cc1 Cc1ccc(cc1)C[*:1] O=C(CNC(=O)N[*:1])NC[C@@H]1Cc2ccccc2O1
CCc1ccc(CN(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 CCc1ccc(cc1)[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[*:1]
CC(C)CCC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 CC(C)C[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)C[*:1])c1ccc(C#N)cc1
CC(C)CCC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)N[C@@H](C)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 CC(C)[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)CC[*:1])c1ccc(C#N)cc1
CC(C)CCC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 CC(C)CC[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)[*:1])c1ccc(C#N)cc1
Cn1cnnc1SCC(=O)N1CCN(CCOc2ccccc2Cl)CC1 Cn1cnnc1[*:1] O=C(CS[*:1])N1CCN(CCOc2ccccc2Cl)CC1
Cn1cnnc1SCC(=O)N1CCN(CCOc2ccccc2Cl)CC1 Cn1cnnc1S[*:1] O=C(C[*:1])N1CCN(CCOc2ccccc2Cl)CC1
Cn1cnnc1SCC(=O)N1CCN(CCOc2ccccc2Cl)CC1 Clc1ccccc1O[*:1] Cn1cnnc1SCC(=O)N1CCN(CC1)CC[*:1]
Cn1cnnc1SCC(=O)N1CCN(CCOc2ccccc2Cl)CC1 Cn1cnnc1SC[*:1] O=C(N1CCN(CCOc2ccccc2Cl)CC1)[*:1]
Cn1cnnc1SCC(=O)N1CCN(CCOc2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cn1cnnc1SCC(=O)N1CCN(CCO[*:1])CC1
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Cn1cnnn1 c1nnnn1C[*:1] CC(C)CC[C@H]1CCC[C@@H]1NC(=O)[*:1]
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Cn1cnnn1 c1nnnn1[*:1] CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C[*:1]
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Cn1cnnn1 CC(C)[*:1] O=C(Cn1cnnn1)N[C@H]1CCC[C@@H]1CC[*:1]
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Cn1cnnn1 CC(C)CC[*:1] O=C(Cn1cnnn1)N[C@H]1CCC[C@@H]1[*:1]
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Cn1cnnn1 CC(C)C[*:1] O=C(Cn1cnnn1)N[C@H]1CCC[C@@H]1C[*:1]
C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 Fc1cccc(c1)[*:1] C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](c1ccccn1)[*:1]
C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 C1CO[C@@H](C1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H](c1cccc(F)c1)c1ccccn1
C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](c1cccc(F)c1)[*:1]
C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 C1CO[C@@H](C1)C[*:1] C[C@@H]([NH2+][C@@H](c1cccc(F)c1)c1ccccn1)[*:1]
O=C1OCCN1CCN1C=[NH+][C@H](c2ccccc2)[C@H]1[C@@H]1[NH+]=c2ccc(F)cc2=[NH+]1 O=C1OCCN1C[*:1] Fc1ccc2=[NH+][C@H]([NH+]=c2c1)[C@@H]1[C@H]([NH+]=CN1C[*:1])c1ccccc1
O=C1OCCN1CCN1C=[NH+][C@H](c2ccccc2)[C@H]1[C@@H]1[NH+]=c2ccc(F)cc2=[NH+]1 c1ccc(cc1)[*:1] O=C1OCCN1CCN1C=[NH+][C@H]([C@H]1[C@@H]1[NH+]=c2ccc(F)cc2=[NH+]1)[*:1]
O=C1OCCN1CCN1C=[NH+][C@H](c2ccccc2)[C@H]1[C@@H]1[NH+]=c2ccc(F)cc2=[NH+]1 O=C1OCCN1[*:1] Fc1ccc2=[NH+][C@H]([NH+]=c2c1)[C@@H]1[C@H]([NH+]=CN1CC[*:1])c1ccccc1
O=C1OCCN1CCN1C=[NH+][C@H](c2ccccc2)[C@H]1[C@@H]1[NH+]=c2ccc(F)cc2=[NH+]1 O=C1OCCN1CC[*:1] Fc1ccc2=[NH+][C@H]([NH+]=c2c1)[C@@H]1[C@H]([NH+]=CN1[*:1])c1ccccc1
O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1C(=O)C[C@@H](Sc2ccccc21)c1ccco1)NC[*:1]
O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CN1C(=O)C[C@@H](Sc2ccccc21)c1ccco1)N[*:1]
O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)NCc1ccc(F)cc1 c1coc(c1)[*:1] O=C(CN1C(=O)C[C@H](Sc2ccccc21)[*:1])NCc1ccc(F)cc1
CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 O=C(Nc1cccc(F)c1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1[*:1])c1ccc2OCOc2c1
CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 c1cc2OCOc2cc1[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)Nc1cccc(F)c1)[*:1]
CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 Fc1cccc(c1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)N[*:1])c1ccc2OCOc2c1
Cn1ncnc1CCNC(=O)c1cccnc1OCC(F)(F)F FC(F)(F)[*:1] Cn1ncnc1CCNC(=O)c1cccnc1OC[*:1]
Cn1ncnc1CCNC(=O)c1cccnc1OCC(F)(F)F Cn1ncnc1[*:1] O=C(NCC[*:1])c1cccnc1OCC(F)(F)F
Cn1ncnc1CCNC(=O)c1cccnc1OCC(F)(F)F FC(F)(F)CO[*:1] Cn1ncnc1CCNC(=O)c1cccnc1[*:1]
Cn1ncnc1CCNC(=O)c1cccnc1OCC(F)(F)F Cn1ncnc1C[*:1] O=C(NC[*:1])c1cccnc1OCC(F)(F)F
Cn1ncnc1CCNC(=O)c1cccnc1OCC(F)(F)F FC(F)(F)C[*:1] Cn1ncnc1CCNC(=O)c1cccnc1O[*:1]
Fc1cccnc1CN[C@@H]1CCCOc2c1ccc(Cl)c2Cl Fc1cccnc1[*:1] Clc1ccc2c(OCCC[C@H]2NC[*:1])c1Cl
Cc1cccc(C[S@@](=O)CCCC(=O)Nc2c(C)cc(C)cc2C)c1 Cc1cccc(c1)C[*:1] Cc1cc(C)c(NC(=O)CCC[S@](=O)[*:1])c(C)c1
Cc1cccc(C[S@@](=O)CCCC(=O)Nc2c(C)cc(C)cc2C)c1 Cc1cccc(c1)[*:1] Cc1cc(C)c(NC(=O)CCC[S@](=O)C[*:1])c(C)c1
COCCCN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 COCC[*:1] C[C@H](NC(=O)N(C)C[*:1])c1ccc(c(F)c1)S(C)(=O)=O
COCCCN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 COC[*:1] C[C@H](NC(=O)N(C)CC[*:1])c1ccc(c(F)c1)S(C)(=O)=O
COCCCN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 COCCC[*:1] C[C@H](NC(=O)N(C)[*:1])c1ccc(c(F)c1)S(C)(=O)=O
COCCCN(C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] COCCCN(C)C(=O)N[C@@H](C)c1ccc(c(F)c1)[*:1]
COc1ccc(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)cc1F Fc1cccc(c1)[*:1] COc1ccc(cc1F)NC(=O)Cn1c(nc(C)cc1=O)N[*:1]
COc1ccc(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)cc1F COc1ccc(cc1F)[*:1] Cc1cc(=O)n(CC(=O)N[*:1])c(n1)Nc1cccc(F)c1
COc1ccc(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)cc1F Fc1cccc(c1)N[*:1] COc1ccc(cc1F)NC(=O)Cn1c(nc(C)cc1=O)[*:1]
Cc1cc(C)cc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](C(=O)N[*:1])N(c1ccccc1)S(C)(=O)=O
Cc1cc(C)cc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H](C)N(S(C)(=O)=O)[*:1]
CC[C@H](NC(=O)NC[C@@H](C)c1ccsc1)C(=O)N1CCOCC1 C[C@@H](c1ccsc1)[*:1] CC[C@H](NC(=O)NC[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)NC[C@@H](C)c1ccsc1)C(=O)N1CCOCC1 c1cc(cs1)[*:1] CC[C@H](NC(=O)NC[C@@H](C)[*:1])C(=O)N1CCOCC1
CC(C)CC[NH2+]C1(Cc2cc(-c3cccc(O)c3)on2)COC1 CC(C)CC[*:1] Oc1cccc(c1)-c1cc(CC2(COC2)[NH2+][*:1])no1
CC(C)CC[NH2+]C1(Cc2cc(-c3cccc(O)c3)on2)COC1 Oc1cccc(c1)[*:1] CC(C)CC[NH2+]C1(COC1)Cc1cc(on1)[*:1]
CC(C)CC[NH2+]C1(Cc2cc(-c3cccc(O)c3)on2)COC1 CC(C)[*:1] Oc1cccc(c1)-c1cc(CC2(COC2)[NH2+]CC[*:1])no1
CC(C)CC[NH2+]C1(Cc2cc(-c3cccc(O)c3)on2)COC1 CC(C)C[*:1] Oc1cccc(c1)-c1cc(CC2(COC2)[NH2+]C[*:1])no1
COc1ccc(-c2nc3cnccn3c2NCCC(=O)NC2CCCC2)cc1 O=C(C[*:1])NC1CCCC1 COc1ccc(cc1)-c1nc2cnccn2c1NC[*:1]
COc1ccc(-c2nc3cnccn3c2NCCC(=O)NC2CCCC2)cc1 O=C(NC1CCCC1)[*:1] COc1ccc(cc1)-c1nc2cnccn2c1NCC[*:1]
COc1ccc(-c2nc3cnccn3c2NCCC(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)-c1nc2cnccn2c1NCCC(=O)N[*:1]
COc1ccc(-c2nc3cnccn3c2NCCC(=O)NC2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(CCNc1c(nc2cnccn12)[*:1])NC1CCCC1
Cc1cc(C)n(-c2ccccc2NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(CCc1ccc(cc1)S(=O)(=O)N1CCCCC1)Nc1ccccc1[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 O=S(=O)(N1CCCCC1)[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)CCc1ccc(cc1)[*:1]
COc1ccccc1[C@H](NC(=O)CCc1cscn1)c1noc(C)n1 Cc1nc(no1)[*:1] COc1ccccc1[C@H](NC(=O)CCc1cscn1)[*:1]
COc1ccccc1[C@H](NC(=O)CCc1cscn1)c1noc(C)n1 c1nc(cs1)C[*:1] COc1ccccc1[C@H](NC(=O)C[*:1])c1noc(C)n1
COc1ccccc1[C@H](NC(=O)CCc1cscn1)c1noc(C)n1 COc1ccccc1[*:1] Cc1nc(no1)[C@@H](NC(=O)CCc1cscn1)[*:1]
COc1ccccc1[C@H](NC(=O)CCc1cscn1)c1noc(C)n1 c1nc(cs1)CC[*:1] COc1ccccc1[C@H](NC(=O)[*:1])c1noc(C)n1
COc1ccccc1[C@H](NC(=O)CCc1cscn1)c1noc(C)n1 c1nc(cs1)[*:1] COc1ccccc1[C@H](NC(=O)CC[*:1])c1noc(C)n1
O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)C1(O)CCSCC1 OC1(CCSCC1)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CC(C)Oc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1 CC(C)O[*:1] C[C@@H](Nc1cc(C#N)ccc1[*:1])C(=O)Nc1ccc(Cl)cn1
CC(C)Oc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] CC(C)Oc1ccc(C#N)cc1N[C@H](C)C(=O)N[*:1]
CC(C)Oc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1 CC(C)[*:1] C[C@@H](Nc1cc(C#N)ccc1O[*:1])C(=O)Nc1ccc(Cl)cn1
CCCCn1c(/N=C/c2ccc(F)cc2)nc2ccccc21 CCC[*:1] Fc1ccc(/C=N/c2nc3ccccc3n2C[*:1])cc1
CCCCn1c(/N=C/c2ccc(F)cc2)nc2ccccc21 CCCC[*:1] Fc1ccc(/C=N/c2nc3ccccc3n2[*:1])cc1
CCCCn1c(/N=C/c2ccc(F)cc2)nc2ccccc21 Fc1ccc(cc1)[*:1] CCCCn1c(N=C[*:1])nc2ccccc21
COc1ccc(-c2cc(C(=O)NCC(C)(C)[NH+](C)C)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(cc1[*:1])C(=O)NCC(C)(C)[NH+](C)C
C/C(=N\NC(=O)CSCc1ccccc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=NNC(=O)CSCc1ccccc1)[*:1]
C/C(=N\NC(=O)CSCc1ccccc1)c1ccc(Br)cc1 c1ccc(cc1)C[*:1] C/C(=N\NC(=O)CS[*:1])c1ccc(Br)cc1
C/C(=N\NC(=O)CSCc1ccccc1)c1ccc(Br)cc1 c1ccc(cc1)[*:1] C/C(=N\NC(=O)CSC[*:1])c1ccc(Br)cc1
O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](O)c1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C(Cc1ccccc1[*:1])NC[C@H](O)c1ccc(Cl)cc1
O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](O)[*:1]
O=C(NCCCOCC(F)(F)F)Nc1cccc(Cl)c1 FC(F)(F)[*:1] O=C(NCCCOC[*:1])Nc1cccc(Cl)c1
O=C(NCCCOCC(F)(F)F)Nc1cccc(Cl)c1 FC(F)(F)C[*:1] O=C(NCCCO[*:1])Nc1cccc(Cl)c1
O=C(NCCCOCC(F)(F)F)Nc1cccc(Cl)c1 FC(F)(F)CO[*:1] O=C(NCCC[*:1])Nc1cccc(Cl)c1
CCOc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1F CCO[*:1] O=C(Nc1ccc(c(F)c1)[*:1])c1c(Cl)cccc1Cl
CNC(=O)NC1=N[NH+]=CN[C@@H]1C(=O)[O-] O=C([O-])[*:1] CNC(=O)NC1=N[NH+]=CN[C@H]1[*:1]
Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCC5(CC4)OCCO5)C3)ccc21 Cn1ccc2cc(ccc21)[*:1] O=C([C@H]1CCCN(C1)S(=O)(=O)[*:1])N1CCC2(CC1)OCCO2
C[C@]1(C(=O)NC2CCCC2)CN(c2ncccn2)CCO1 C1CCC(C1)[*:1] C[C@@]1(CN(CCO1)c1ncccn1)C(=O)N[*:1]
C[C@]1(C(=O)NC2CCCC2)CN(c2ncccn2)CCO1 c1cnc(nc1)[*:1] C[C@@]1(CN(CCO1)[*:1])C(=O)NC1CCCC1
O=[N+]([O-])c1cccc(C[NH2+]Cc2ccsc2)c1 c1cc(cs1)[*:1] O=[N+]([O-])c1cccc(c1)C[NH2+]C[*:1]
O=[N+]([O-])c1cccc(C[NH2+]Cc2ccsc2)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])C[NH2+]Cc1ccsc1
CC1(C)C(N2CC(=O)N[C@H](c3ccccc3)C2=O)C1(C)C c1ccc(cc1)[*:1] CC1(C)C(N2CC(=O)N[C@H](C2=O)[*:1])C1(C)C
CC1(C)C(N2CC(=O)N[C@H](c3ccccc3)C2=O)C1(C)C CC1(C)C(C1(C)C)[*:1] O=C1CN(C(=O)[C@H](N1)c1ccccc1)[*:1]
C[NH+](Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(C)(C)CO O=[N+]([O-])[*:1] C[NH+](Cc1ccc(o1)-c1ccc(Cl)cc1[*:1])C(C)(C)CO
C[NH+](Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(C)(C)CO CC(C)(CO)[*:1] C[NH+](Cc1ccc(o1)-c1ccc(Cl)cc1[N+](=O)[O-])[*:1]
C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCc1ccc(Cl)cc1)[*:1]
CCOC(=O)c1ccc(CNC(=O)Nc2cccc(N3CCCCC3)c2)o1 C1CCN(CC1)[*:1] CCOC(=O)c1ccc(CNC(=O)Nc2cccc(c2)[*:1])o1
CCOC(=O)c1ccc(CNC(=O)Nc2cccc(N3CCCCC3)c2)o1 CCOC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])Nc1cccc(c1)N1CCCCC1
CSCC[C@H](C)NC(=O)CCc1c(C)nc2c(c1C)c(=O)[nH]n2C CSCC[*:1] Cc1nc2c(c(C)c1CCC(=O)N[C@@H](C)[*:1])c(=O)[nH]n2C
CSCC[C@H](C)NC(=O)CCc1c(C)nc2c(c1C)c(=O)[nH]n2C CSC[*:1] Cc1nc2c(c(C)c1CCC(=O)N[C@@H](C)C[*:1])c(=O)[nH]n2C
CSCC[C@H](C)NC(=O)CCc1c(C)nc2c(c1C)c(=O)[nH]n2C CSCC[C@H](C)[*:1] Cc1nc2c(c(C)c1CCC(=O)N[*:1])c(=O)[nH]n2C
CCOC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)cc(C)nc2Cl)c1C CCOC(=O)[*:1] Cc1cc(C)c(NC(=O)c2[nH]c(C)c(c2C)[*:1])c(Cl)n1
C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1cccc(Cl)c1F CC(C)(C)CC[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1F)[*:1]
C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1cccc(Cl)c1F CC(C)(C)C[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1cccc(Cl)c1F
C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1cccc(Cl)c1F CC(C)(C)[*:1] C[C@H](CC[*:1])NC(=O)C(=O)Nc1cccc(Cl)c1F
C/[NH+]=C(/NCc1cccc(CO)c1)N1CCN(c2cccc(OC)c2)CC1 OCc1cccc(c1)C[*:1] C/[NH+]=C(/N[*:1])N1CCN(CC1)c1cccc(c1)OC
C/[NH+]=C(/NCc1cccc(CO)c1)N1CCN(c2cccc(OC)c2)CC1 COc1cccc(c1)[*:1] C/[NH+]=C(/NCc1cccc(c1)CO)N1CCN(CC1)[*:1]
C/[NH+]=C(/NCc1cccc(CO)c1)N1CCN(c2cccc(OC)c2)CC1 OCc1cccc(c1)[*:1] C/[NH+]=C(/NC[*:1])N1CCN(CC1)c1cccc(c1)OC
COCCS[C@@H]1C[C@H](C)CC[C@H]1C#N COC[*:1] C[C@@H]1CC[C@@H](C#N)[C@@H](C1)SC[*:1]
COCCS[C@@H]1C[C@H](C)CC[C@H]1C#N COCC[*:1] C[C@@H]1CC[C@@H](C#N)[C@@H](C1)S[*:1]
Cc1ccc(C(=O)N(C)CC(C)(C)O)cc1Br CC(C)(O)C[*:1] Cc1ccc(cc1Br)C(=O)N(C)[*:1]
Cc1ccc(C(=O)N(C)CC(C)(C)O)cc1Br CC(C)(O)[*:1] Cc1ccc(cc1Br)C(=O)N(C)C[*:1]
Cc1csc2[nH+]c(Cn3c(-c4ncccn4)noc3=O)cc(=O)n12 c1cnc(nc1)[*:1] Cc1csc2[nH+]c(cc(=O)n12)Cn1c(noc1=O)[*:1]
O=C(N[C@H]1C(Cc2ccccc2)=Cc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1C(=Cc2ccccc21)Cc1ccccc1)[*:1]
O=C(N[C@H]1C(Cc2ccccc2)=Cc2ccccc21)c1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@H]1C(=Cc2ccccc21)[*:1])c1ccccc1
O=C(N[C@H]1C(Cc2ccccc2)=Cc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1C(=Cc2ccccc21)C[*:1])c1ccccc1
Cc1ccc(N)c(S[C@H](C)C(=O)NCCC(C)C)c1 CC(C)CC[*:1] Cc1ccc(N)c(c1)S[C@H](C)C(=O)N[*:1]
Cc1ccc(N)c(S[C@H](C)C(=O)NCCC(C)C)c1 CC(C)[*:1] Cc1ccc(N)c(c1)S[C@H](C)C(=O)NCC[*:1]
Cc1ccc(N)c(S[C@H](C)C(=O)NCCC(C)C)c1 CC(C)C[*:1] Cc1ccc(N)c(c1)S[C@H](C)C(=O)NC[*:1]
O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1S(=O)(=O)c1cccs1 O=C([O-])[*:1] O=S(=O)(c1cccs1)N1Cc2[nH+]c[nH]c2C[C@@H]1[*:1]
O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1S(=O)(=O)[*:1]
CC1(C)CCC[C@@]1(C(=O)[O-])[NH+]1CCNCC1 O=C([O-])[*:1] CC1(C)CCC[C@]1([NH+]1CCNCC1)[*:1]
C[C@@H]1CN(C(=O)CSCc2cccnc2)c2cc(F)ccc2C(=O)N1 c1cncc(c1)C[*:1] C[C@@H]1CN(C(=O)CS[*:1])c2cc(F)ccc2C(=O)N1
C[C@@H]1CN(C(=O)CSCc2cccnc2)c2cc(F)ccc2C(=O)N1 c1cncc(c1)[*:1] C[C@@H]1CN(C(=O)CSC[*:1])c2cc(F)ccc2C(=O)N1
C[C@@H]1CN(C(=O)CSCc2cccnc2)c2cc(F)ccc2C(=O)N1 c1cncc(c1)CS[*:1] C[C@@H]1CN(C(=O)C[*:1])c2cc(F)ccc2C(=O)N1
Cc1cc([C@H](C)NC(=O)N2CCN(C(=O)N3CCOCC3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)N1CCOCC1)[*:1]
CSCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 CSCc1ccc(cc1)[*:1] O=C1CCc2cc(ccc2N1)-c1csc(n1)NC(=O)[*:1]
CSCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 CSC[*:1] O=C1CCc2cc(ccc2N1)-c1csc(n1)NC(=O)c1ccc(cc1)[*:1]
CC(C)c1nc(CNc2ccccc2Sc2ccccc2)no1 CC(C)[*:1] c1ccc(cc1)Sc1ccccc1NCc1noc(n1)[*:1]
CC(C)c1nc(CNc2ccccc2Sc2ccccc2)no1 c1ccc(cc1)S[*:1] CC(C)c1nc(CNc2ccccc2[*:1])no1
CC(C)c1nc(CNc2ccccc2Sc2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)c1nc(CNc2ccccc2S[*:1])no1
CCOCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 CCOC[*:1] O=C(C[*:1])N1CCC(CC1)c1ccc(cc1)C(F)(F)F
CCOCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] CCOCCC(=O)N1CCC(CC1)c1ccc(cc1)[*:1]
CCOCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 CCO[*:1] O=C(CC[*:1])N1CCC(CC1)c1ccc(cc1)C(F)(F)F
CCOCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 CCOCC[*:1] O=C(N1CCC(CC1)c1ccc(cc1)C(F)(F)F)[*:1]
O=C(NCc1ccnc(OCC(F)F)c1)N[C@@H]1CCCc2ccccc21 FC(F)[*:1] O=C(NCc1ccnc(c1)OC[*:1])N[C@@H]1CCCc2ccccc21
O=C(NCc1ccnc(OCC(F)F)c1)N[C@@H]1CCCc2ccccc21 FC(F)CO[*:1] O=C(NCc1ccnc(c1)[*:1])N[C@@H]1CCCc2ccccc21
O=C(NCc1ccnc(OCC(F)F)c1)N[C@@H]1CCCc2ccccc21 FC(F)C[*:1] O=C(NCc1ccnc(c1)O[*:1])N[C@@H]1CCCc2ccccc21
COc1cccc(-c2noc(CSCC(=O)NC3CCCC3)n2)c1 O=C(NC1CCCC1)[*:1] COc1cccc(c1)-c1noc(CSC[*:1])n1
COc1cccc(-c2noc(CSCC(=O)NC3CCCC3)n2)c1 C1CCC(C1)[*:1] COc1cccc(c1)-c1noc(CSCC(=O)N[*:1])n1
COc1cccc(-c2noc(CSCC(=O)NC3CCCC3)n2)c1 COc1cccc(c1)[*:1] O=C(CSCc1nc(no1)[*:1])NC1CCCC1
CCCCCC[C@@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 CCCCCC[*:1] C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)[*:1]
CCCCCC[C@@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 CCCCC[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCc2cc(N)ccc21
CCCCCC[C@@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 CCCC[*:1] C[C@H](CC[*:1])[NH2+][C@H]1CCc2cc(N)ccc21
CCCCCC[C@@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 CCC[*:1] C[C@H](CCC[*:1])[NH2+][C@H]1CCc2cc(N)ccc21
CC(C)Oc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 CC(C)O[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(cc1)[*:1])c1ccc2OCOc2c1
CC(C)Oc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)NC(=O)N[C@@H](C)[*:1]
CC(C)Oc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 CC(C)[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(cc1)O[*:1])c1ccc2OCOc2c1
COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNc3ccccc3)c(C)c21 c1ccc(cc1)[*:1] COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NN[*:1])c(C)c21
COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNc3ccccc3)c(C)c21 COc1ccccc1[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)NNc1ccccc1
COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNc3ccccc3)c(C)c21 O=C(NNc1ccccc1)[*:1] COc1ccccc1C(=O)N/N=C1\CCCc2oc(c(C)c21)[*:1]
C#CCC[NH2+]C[C@H](CC)CCO C#CC[*:1] CC[C@H](CCO)C[NH2+]C[*:1]
C#CCC[NH2+]C[C@H](CC)CCO OCC[*:1] C#CCC[NH2+]C[C@H](CC)[*:1]
C#CCC[NH2+]C[C@H](CC)CCO C#CCC[*:1] CC[C@H](CCO)C[NH2+][*:1]
CCc1[nH+]ccn1CCC(=O)N1CCc2onc(-c3ccccc3F)c2C1 Fc1ccccc1[*:1] CCc1[nH+]ccn1CCC(=O)N1CCc2onc(c2C1)[*:1]
COc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 O=[N+]([O-])[*:1] COc1cc(ccn1)CNC(=O)Nc1cccc(c1)[*:1]
Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](CCO)C1CCCCC1 Cc1noc(C)c1[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H](CCO)C1CCCCC1
Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](CCO)C1CCCCC1 Cc1noc(C)c1C[*:1] C[C@H](NC(=O)N[C@@H](CCO)C1CCCCC1)[*:1]
Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](CCO)C1CCCCC1 OCC[*:1] Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](C1CCCCC1)[*:1]
Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](CCO)C1CCCCC1 C1CCC(CC1)[*:1] Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](CCO)[*:1]
C[C@H]1CC[NH2+][C@@H](c2ccc(C3CC3)cc2)S1 C1CC1[*:1] C[C@H]1CC[NH2+][C@H](S1)c1ccc(cc1)[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)c1ccnc(-n2cncn2)c1 c1ncn(n1)[*:1] Cc1cnn(-c2ccccc2)c1NC(=O)c1ccnc(c1)[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)c1ccnc(-n2cncn2)c1 c1ccc(cc1)[*:1] Cc1cnn(c1NC(=O)c1ccnc(c1)-n1cncn1)[*:1]
CC(C)[C@@H](NC(N)=O)C(=O)Nc1cccc(F)c1C(=O)[O-] NC(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1cccc(F)c1C(=O)[O-])[*:1]
CC(C)[C@@H](NC(N)=O)C(=O)Nc1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](NC(N)=O)C(=O)Nc1cccc(F)c1[*:1]
CC(C)[C@@H](NC(N)=O)C(=O)Nc1cccc(F)c1C(=O)[O-] CC(C)[*:1] NC(=O)N[C@@H](C(=O)Nc1cccc(F)c1C(=O)[O-])[*:1]
Cc1ccsc1[C@H]1N=C2C=NN(C(C)C)[C@@H]2N1 CC(C)[*:1] Cc1ccsc1[C@H]1N=C2C=NN([C@@H]2N1)[*:1]
COc1ccccc1[C@@H](NC(=O)CCSC)c1nccn1C CSC[*:1] COc1ccccc1[C@@H](NC(=O)C[*:1])c1nccn1C
COc1ccccc1[C@@H](NC(=O)CCSC)c1nccn1C CSCCC(=O)N[*:1] COc1ccccc1[C@@H](c1nccn1C)[*:1]
COc1ccccc1[C@@H](NC(=O)CCSC)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@@H](NC(=O)CCSC)[*:1]
COc1ccccc1[C@@H](NC(=O)CCSC)c1nccn1C CSCC[*:1] COc1ccccc1[C@@H](NC(=O)[*:1])c1nccn1C
C[C@H]1[C@@H]([NH2+][C@H]2C=CCCC2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1[C@H](CC(=O)N1C[*:1])[NH2+][C@H]1C=CCCC1
C[C@H]1[C@@H]([NH2+][C@H]2C=CCCC2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1[C@H](CC(=O)N1[*:1])[NH2+][C@H]1C=CCCC1
CCCCOCCNC(=O)c1ccc(C)cc1F CCCC[*:1] Cc1ccc(C(=O)NCCO[*:1])c(F)c1
CCCCOCCNC(=O)c1ccc(C)cc1F CCCCO[*:1] Cc1ccc(C(=O)NCC[*:1])c(F)c1
CCCCOCCNC(=O)c1ccc(C)cc1F CCC[*:1] Cc1ccc(C(=O)NCCOC[*:1])c(F)c1
CCCCOCCNC(=O)c1ccc(C)cc1F CCCCOC[*:1] Cc1ccc(C(=O)NC[*:1])c(F)c1
COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1scnc1C Cc1ncsc1C[*:1] COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)[*:1]
COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1scnc1C Cc1ncsc1[*:1] COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C[*:1]
COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1scnc1C COC(=O)[*:1] Cc1ncsc1CN(C)[C@@H](c1ccc(Cl)c(Cl)c1)[*:1]
Cc1ccsc1[C@H](C)[C@H](C)[NH2+]C(C)C CC(C)[*:1] Cc1ccsc1[C@H](C)[C@H](C)[NH2+][*:1]
C[C@H](C(=O)NCc1cn(-c2ccccc2)nn1)c1cccc(F)c1 c1ccc(cc1)[*:1] C[C@H](C(=O)NCc1cn(nn1)[*:1])c1cccc(F)c1
C[C@H](C(=O)NCc1cn(-c2ccccc2)nn1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](C(=O)NCc1cn(nn1)-c1ccccc1)[*:1]
CC(C)CCn1nccc1N CC(C)[*:1] Nc1ccnn1CC[*:1]
CCc1cc(CNCc2ncc(-c3ccccc3)s2)on1 c1ccc(cc1)[*:1] CCc1cc(CNCc2ncc(s2)[*:1])on1
CCc1cc(CNCc2ncc(-c3ccccc3)s2)on1 CCc1cc(on1)[*:1] c1ccc(cc1)-c1cnc(CNC[*:1])s1
O=S(=O)(N1CCCCC1)N1CCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] O=S(=O)(N1CCCCC1)N1CCC[C@H]1[*:1]
O=C(NC[C@H]1CCCOC1)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 Fc1ccc(cc1F)[*:1] O=C(NC[C@H]1CCCOC1)C1(CCOCC1)Cc1ccccc1[*:1]
Cc1cc(Br)ccc1NC(=O)NCCNC(=O)N(C)C CN(C)C(=O)N[*:1] Cc1cc(Br)ccc1NC(=O)NCC[*:1]
COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 CN(C)S(=O)(=O)[*:1] COc1cccc(c1)NC(=O)c1ccccc1NC(=O)c1cccc(c1)[*:1]
COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 COc1cccc(c1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccccc1C(=O)N[*:1]
CC(C)([NH2+]C[C@@H]1COc2ccccc21)C(=O)[O-] O=C([O-])[*:1] CC(C)([NH2+]C[C@@H]1COc2ccccc21)[*:1]
Cc1ccc([C@]23CCC(=O)N2[C@H](C(=O)Nc2ccc4c(C)cc(=O)oc4c2)CS3)cc1 Cc1ccc(cc1)[*:1] Cc1cc(=O)oc2cc(ccc12)NC(=O)[C@@H]1CS[C@@]2(CCC(=O)N12)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N1CCC[C@H]2CCC[C@@H]21 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)N1CCC[C@H]2CCC[C@@H]21)[*:1]
C/C=C/COC(=O)CCc1ccc(C#N)cc1 C/C=C/C[*:1] N#Cc1ccc(cc1)CCC(=O)O[*:1]
C/C=C/COC(=O)CCc1ccc(C#N)cc1 CC=C[*:1] N#Cc1ccc(cc1)CCC(=O)OC[*:1]
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)CCCC(=O)[O-])[*:1]
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1 O=C([O-])C[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)CC[*:1])c1ccccc1
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1 COc1ccc(cc1)[*:1] O=C([O-])CCCC(=O)N1N=C(C[C@@H]1[*:1])c1ccccc1
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)CCC[*:1])c1ccccc1
O=C([O-])C[NH+](Cc1c(F)cccc1Cl)C1CC1 O=C([O-])[*:1] Fc1cccc(Cl)c1C[NH+](C[*:1])C1CC1
O=C([O-])C[NH+](Cc1c(F)cccc1Cl)C1CC1 C1CC1[*:1] O=C([O-])C[NH+](Cc1c(F)cccc1Cl)[*:1]
CN(Cc1ccc(O)cc1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(O)cc1)C(=O)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc4ccccc34)CC2)cc1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CC[NH+](CC1)Cc1cccc2ccccc12
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc4ccccc34)CC2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=S(=O)(N1CC[NH+](CC1)Cc1cccc2ccccc12)[*:1]
Cc1cc(C(=O)NNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] CC(C)(C)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NNC(=O)O[*:1]
Cc1cc(C(=O)NNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NNC(=O)OC(C)(C)C
COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CCc3cc(F)ccc3C2)cc1 COC(=O)[*:1] CC(C)(c1ccc(cc1)NC(=O)C(=O)N1CCc2cc(F)ccc2C1)[*:1]
COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CCc3cc(F)ccc3C2)cc1 COC(=O)C(C)(C)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CCc2cc(F)ccc2C1
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)C1=O)[*:1]
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O NS(=O)(=O)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O)c1ccccc1
CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@@H]1Oc1cccc(C)c1 Cc1cccc(c1)[*:1] CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@H](OC[C@@H]2O[C@@H]1O[*:1])c1ccco1
CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@@H]1Oc1cccc(C)c1 c1coc(c1)[*:1] CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](OC[C@@H]2O[C@@H]1Oc1cccc(C)c1)[*:1]
CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@@H]1Oc1cccc(C)c1 Cc1cccc(c1)O[*:1] CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@H](OC[C@@H]2O[C@H]1[*:1])c1ccco1
CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@@H]1Oc1cccc(C)c1 CC(=O)N[*:1] Cc1cccc(c1)O[C@H]1O[C@H]2CO[C@@H](O[C@@H]2[C@@H](O)[C@@H]1[*:1])c1ccco1
Cn1ncnc1CCNC(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)[*:1] Cn1ncnc1CCNC(=O)Nc1ccc(O[*:1])c(F)c1
Cn1ncnc1CCNC(=O)Nc1ccc(OC(F)F)c(F)c1 Cn1ncnc1C[*:1] O=C(NC[*:1])Nc1ccc(OC(F)F)c(F)c1
Cn1ncnc1CCNC(=O)Nc1ccc(OC(F)F)c(F)c1 Cn1ncnc1[*:1] O=C(NCC[*:1])Nc1ccc(OC(F)F)c(F)c1
Cn1ncnc1CCNC(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)O[*:1] Cn1ncnc1CCNC(=O)Nc1ccc(c(F)c1)[*:1]
O=C(CSc1nnnn1-c1ccc(C(=O)[O-])cc1)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(CSc1nnnn1-c1ccc(cc1)C(=O)[O-])Nc1nc(cs1)[*:1]
O=C(CSc1nnnn1-c1ccc(C(=O)[O-])cc1)Nc1nc(-c2ccccc2)cs1 O=C([O-])c1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])Nc1nc(cs1)-c1ccccc1
O=C(CSc1nnnn1-c1ccc(C(=O)[O-])cc1)Nc1nc(-c2ccccc2)cs1 O=C([O-])[*:1] O=C(CSc1nnnn1-c1ccc(cc1)[*:1])Nc1nc(cs1)-c1ccccc1
C[C@@H](CS(=O)(=O)Nc1ccc(C(=O)[O-])cc1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](CS(=O)(=O)Nc1ccc(cc1)C(=O)[O-])[*:1]
C[C@@H](CS(=O)(=O)Nc1ccc(C(=O)[O-])cc1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](CS(=O)(=O)Nc1ccc(cc1)[*:1])C(=O)[O-]
Cn1c(=O)[nH]c(=O)c2ccc(C(=O)NCCOc3ccc(F)cc3)nc21 Fc1ccc(cc1)O[*:1] Cn1c(=O)[nH]c(=O)c2ccc(nc21)C(=O)NCC[*:1]
Cn1c(=O)[nH]c(=O)c2ccc(C(=O)NCCOc3ccc(F)cc3)nc21 Fc1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2ccc(nc21)C(=O)NCCO[*:1]
CC[NH2+][C@@H](C)[C@@H](O)c1c[nH]nc1-c1ccccc1 c1ccc(cc1)[*:1] CC[NH2+][C@@H](C)[C@@H](O)c1c[nH]nc1[*:1]
C[N+](C)([O-])CC[C@H](c1ccc(Cl)cc1)c1ccccn1 C[N+](C)([O-])[*:1] Clc1ccc(cc1)[C@@H](CC[*:1])c1ccccn1
C[N+](C)([O-])CC[C@H](c1ccc(Cl)cc1)c1ccccn1 C[N+](C)([O-])C[*:1] Clc1ccc(cc1)[C@@H](C[*:1])c1ccccn1
C[N+](C)([O-])CC[C@H](c1ccc(Cl)cc1)c1ccccn1 C[N+](C)([O-])CC[*:1] Clc1ccc(cc1)[C@H](c1ccccn1)[*:1]
C[N+](C)([O-])CC[C@H](c1ccc(Cl)cc1)c1ccccn1 c1ccc(nc1)[*:1] C[N+](C)([O-])CC[C@H](c1ccc(Cl)cc1)[*:1]
CCSCc1ccnc(NC2CCN(C(=O)CC)CC2)c1 CCSC[*:1] CCC(=O)N1CCC(CC1)Nc1cc(ccn1)[*:1]
CCSCc1ccnc(NC2CCN(C(=O)CC)CC2)c1 CCS[*:1] CCC(=O)N1CCC(CC1)Nc1cc(ccn1)C[*:1]
COc1ccc(Cc2nnc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc1nnc(C[*:1])s1
COc1ccc(Cc2nnc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)Cc1nnc(NC(=O)c2ccc(C)c(c2)[*:1])s1
COc1ccc(Cc2nnc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc1nnc(s1)[*:1]
CNC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 CNC(=O)N[*:1] O=C(NC1CCCC1)c1ccc(cc1)[*:1]
CNC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] CNC(=O)Nc1ccc(cc1)C(=O)N[*:1]
COc1cc([N+](=O)[O-])ccc1Oc1nc(Cl)ncc1C O=[N+]([O-])[*:1] COc1cc(ccc1Oc1nc(Cl)ncc1C)[*:1]
COC(=O)c1c(NC(=O)c2ccccc2OC)sc(C(=O)Nc2ccc(F)cc2)c1C COC(=O)[*:1] COc1ccccc1C(=O)Nc1sc(C(=O)Nc2ccc(F)cc2)c(C)c1[*:1]
COC(=O)c1c(NC(=O)c2ccccc2OC)sc(C(=O)Nc2ccc(F)cc2)c1C COc1ccccc1[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)Nc2ccc(F)cc2)c1C
COC(=O)c1c(NC(=O)c2ccccc2OC)sc(C(=O)Nc2ccc(F)cc2)c1C O=C(Nc1ccc(F)cc1)[*:1] COC(=O)c1c(NC(=O)c2ccccc2OC)sc(c1C)[*:1]
COC(=O)c1c(NC(=O)c2ccccc2OC)sc(C(=O)Nc2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)c2ccccc2OC)sc(C(=O)N[*:1])c1C
CN1C(=O)N[C@H](c2ccc(F)cc2)C2=C1CN(C[C@H]1CCCO1)C2=O Fc1ccc(cc1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)C[C@H]1CCCO1)[*:1]
CN1C(=O)N[C@H](c2ccc(F)cc2)C2=C1CN(C[C@H]1CCCO1)C2=O C1CO[C@H](C1)[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC=21)C[*:1])c1ccc(F)cc1
CN1C(=O)N[C@H](c2ccc(F)cc2)C2=C1CN(C[C@H]1CCCO1)C2=O C1CO[C@H](C1)C[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC=21)[*:1])c1ccc(F)cc1
Cc1nc(CSCC(=O)N[C@H](C)Cc2c(F)cccc2F)cs1 Cc1nc(cs1)C[*:1] C[C@H](Cc1c(F)cccc1F)NC(=O)CS[*:1]
Cc1nc(CSCC(=O)N[C@H](C)Cc2c(F)cccc2F)cs1 Cc1nc(cs1)[*:1] C[C@H](Cc1c(F)cccc1F)NC(=O)CSC[*:1]
Cc1sc(C(=O)[O-])cc1Br O=C([O-])[*:1] Cc1sc(cc1Br)[*:1]
O=C(NCc1ncccc1F)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(NCc1ncccc1F)Nc1cnc(s1)[*:1]
O=C(NCc1ncccc1F)Nc1cnc(-c2ccccc2)s1 Fc1cccnc1[*:1] O=C(NC[*:1])Nc1cnc(s1)-c1ccccc1
Cc1ccc(C)c(NC(=O)NCc2cccn2Cc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)NCc1cccn1C[*:1]
Cc1ccc(C)c(NC(=O)NCc2cccn2Cc2ccc(F)cc2)c1 Fc1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)NC(=O)NCc1cccn1[*:1]
Cc1ccc(C)c(NC(=O)NCc2cccn2Cc2ccc(F)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCc1cccn1Cc1ccc(F)cc1)N[*:1]
O=C1CSc2ccc(C(=O)OCc3cccc(C(F)(F)F)c3)cc2N1 FC(F)(F)[*:1] O=C1CSc2ccc(cc2N1)C(=O)OCc1cccc(c1)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)c1cnn(C(C)C)c1C Cc1ccccc1[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@H](C)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)c1cnn(C(C)C)c1C CC(C)[*:1] Cc1ccccc1[C@@H](C)NC(=O)c1cnn(c1C)[*:1]
O=C(c1cnc(Cc2ccccc2)s1)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1cnc(s1)[*:1])N1CC[C@@H](C1)Nc1ccccc1
O=C(c1cnc(Cc2ccccc2)s1)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cnc(Cc2ccccc2)s1)N1CC[C@@H](C1)N[*:1]
O=C(c1cnc(Cc2ccccc2)s1)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cnc(C[*:1])s1)N1CC[C@@H](C1)Nc1ccccc1
O=C(c1cnc(Cc2ccccc2)s1)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=C(c1cnc(Cc2ccccc2)s1)N1CC[C@H](C1)[*:1]
COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OC)c1 COCC[*:1] COc1cccc(c1)[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1C[*:1]
COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1[*:1]
COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OC)c1 COCCC[*:1] COc1cccc(c1)[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
COCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OC)c1 COC[*:1] COc1cccc(c1)[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1CC[*:1]
CSC[C@@H](C)N(C)C(=O)[C@@H]1CN(C)CCO1 CSC[C@@H](C)[*:1] CN1CCO[C@@H](C1)C(=O)N(C)[*:1]
CSC[C@@H](C)N(C)C(=O)[C@@H]1CN(C)CCO1 CSC[*:1] C[C@@H](N(C)C(=O)[C@@H]1CN(C)CCO1)[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)CNC(=O)[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)CNC(=O)c1ccccc1 Fc1ccccc1[*:1] C[C@@H](N(C)C(=O)CNC(=O)c1ccccc1)[*:1]
c1cncc(-c2nc(N3CCCC3)c3c4c(sc3n2)CCC4)c1 C1CCN(C1)[*:1] c1cncc(c1)-c1nc(c2c3CCCc3sc2n1)[*:1]
c1cncc(-c2nc(N3CCCC3)c3c4c(sc3n2)CCC4)c1 c1cncc(c1)[*:1] C1Cc2sc3nc(nc(c3c2C1)N1CCCC1)[*:1]
COc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)cc1OC C1CCN(C1)[*:1] COc1ccc(cc1OC)NC(=O)CNc1cc(Cl)ccc1[*:1]
Cc1cc(C(=O)NCCC/C(N)=N/O)sc1Br N/C(=N\O)[*:1] Cc1cc(sc1Br)C(=O)NCCC[*:1]
Cc1cc(C(=O)NCCC/C(N)=N/O)sc1Br N/C(C[*:1])=N\O Cc1cc(sc1Br)C(=O)NCC[*:1]
Cc1onc(-c2ccccc2)c1C(=O)O[C@H](C)[C@@H]1CCOC1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)O[C@H](C)[C@@H]1CCOC1)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(CSc3ccccc3)s2)c1 c1ccc(cc1)S[*:1] CC(C)C(=O)Nc1cccc(c1)C(=O)Nc1nnc(C[*:1])s1
CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(CSc3ccccc3)s2)c1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1cccc(c1)C(=O)Nc1nnc(CS[*:1])s1
CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(CSc3ccccc3)s2)c1 CC(C)[*:1] O=C(Nc1nnc(CSc2ccccc2)s1)c1cccc(c1)NC(=O)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(CSc3ccccc3)s2)c1 c1ccc(cc1)SC[*:1] CC(C)C(=O)Nc1cccc(c1)C(=O)Nc1nnc(s1)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(CSc3ccccc3)s2)c1 CC(C)C(=O)N[*:1] O=C(Nc1nnc(CSc2ccccc2)s1)c1cccc(c1)[*:1]
Cc1c(NCc2sc(N(C)C)nc2-c2ccccc2)cccc1C(N)=O CN(C)[*:1] Cc1c(cccc1C(N)=O)NCc1sc(nc1-c1ccccc1)[*:1]
Cc1c(NCc2sc(N(C)C)nc2-c2ccccc2)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NCc1sc(nc1-c1ccccc1)N(C)C
Cc1c(NCc2sc(N(C)C)nc2-c2ccccc2)cccc1C(N)=O c1ccc(cc1)[*:1] Cc1c(cccc1C(N)=O)NCc1sc(nc1[*:1])N(C)C
CCOc1ccc(-c2nnc3sc(NC(=O)c4ccccc4)nn23)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1nnc2sc(nn12)NC(=O)[*:1]
CCOc1ccc(-c2nnc3sc(NC(=O)c4ccccc4)nn23)cc1 CCO[*:1] O=C(Nc1nn2c(nnc2s1)-c1ccc(cc1)[*:1])c1ccccc1
CC(C)(C)NC(=O)CNc1ccccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC(C)(C)NC(=O)CNc1ccccc1O[*:1]
CC(C)(C)NC(=O)CNc1ccccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(C)(C)NC(=O)CNc1ccccc1OC[*:1]
CC(C)(C)NC(=O)CNc1ccccc1OC[C@@H]1CCCO1 CC(C)(C)[*:1] O=C(CNc1ccccc1OC[C@@H]1CCCO1)N[*:1]
CC(C)(C)NC(=O)CNc1ccccc1OC[C@@H]1CCCO1 CC(C)(C)NC(=O)[*:1] c1ccc(OC[C@@H]2CCCO2)c(c1)NC[*:1]
CC(C)(C)NC(=O)CNc1ccccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] CC(C)(C)NC(=O)CNc1ccccc1[*:1]
CCCC[C@H]([NH2+]C(C)C)[C@H]1CCO[C@]2(CCOC2)C1 CCC[*:1] CC(C)[NH2+][C@@H](C[*:1])[C@H]1CCO[C@]2(CCOC2)C1
CCCC[C@H]([NH2+]C(C)C)[C@H]1CCO[C@]2(CCOC2)C1 CC(C)[*:1] CCCC[C@H]([NH2+][*:1])[C@H]1CCO[C@]2(CCOC2)C1
CCCC[C@H]([NH2+]C(C)C)[C@H]1CCO[C@]2(CCOC2)C1 CCCC[*:1] CC(C)[NH2+][C@H]([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(cc1)[*:1]
CCOc1cc(Cl)ccc1CNC(=O)Nc1cnccc1C CCO[*:1] Cc1ccncc1NC(=O)NCc1ccc(Cl)cc1[*:1]
CCOc1cc(Cl)ccc1CNC(=O)Nc1cnccc1C Cc1ccncc1[*:1] CCOc1cc(Cl)ccc1CNC(=O)N[*:1]
COc1ccc([C@H]2[C@@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)[C@H]1[C@@H](C(=O)NC[*:1])c2ccccc2C(=O)N1c1ccc(cc1)OC
COc1ccc([C@H]2[C@@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 O=C(NCc1ccccn1)[*:1] COc1ccc(cc1)[C@H]1[C@@H](c2ccccc2C(=O)N1c1ccc(cc1)OC)[*:1]
COc1ccc([C@H]2[C@@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1[C@@H](C(=O)NCc2ccccn2)c2ccccc2C(=O)N1[*:1]
COc1ccc([C@H]2[C@@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 c1ccc(C[*:1])nc1 COc1ccc(cc1)[C@H]1[C@@H](C(=O)N[*:1])c2ccccc2C(=O)N1c1ccc(cc1)OC
COc1ccc([C@H]2[C@@H](C(=O)NCc3ccccn3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccn2)[C@@H]1[*:1]
O=C(NC[C@H](O)COC1CCCCC1)c1cc2n(n1)CC[NH2+]C2 C1CCC(CC1)O[*:1] O=C(NC[C@H](O)C[*:1])c1cc2C[NH2+]CCn2n1
O=C(NC[C@H](O)COC1CCCCC1)c1cc2n(n1)CC[NH2+]C2 C1CCC(CC1)[*:1] O=C(NC[C@H](O)CO[*:1])c1cc2C[NH2+]CCn2n1
Cc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[n-]2)n1 O=[N+]([O-])[*:1] Cc1cccc(n1)NC(=O)c1cc2cccc(c2[n-]1)[*:1]
Cc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[n-]2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1cc2cccc(c2[n-]1)[N+](=O)[O-]
CC(C)n1cnc(S(=O)(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)c1 CC(C)n1cnc(c1)[*:1] O=S(=O)(N[C@@H]1CCCC[C@H]1OC1CCCC1)[*:1]
CC(C)n1cnc(S(=O)(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)c1 C1CCC(C1)O[*:1] CC(C)n1cnc(c1)S(=O)(=O)N[C@@H]1CCCC[C@@H]1[*:1]
CC(C)n1cnc(S(=O)(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)c1 C1CCC(C1)[*:1] CC(C)n1cnc(c1)S(=O)(=O)N[C@@H]1CCCC[C@H]1O[*:1]
CC(C)n1cnc(S(=O)(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)c1 CC(C)[*:1] O=S(=O)(N[C@@H]1CCCC[C@H]1OC1CCCC1)c1cn(cn1)[*:1]
Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1[*:1]
Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1C[*:1]
CCCCn1c(N)c(N(CC)C(=O)c2nc(Cl)ccc2Cl)c(=O)[nH]c1=O Clc1ccc(Cl)c(n1)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(CC)C(=O)[*:1]
CCCCn1c(N)c(N(CC)C(=O)c2nc(Cl)ccc2Cl)c(=O)[nH]c1=O CCC[*:1] CCN(C(=O)c1nc(Cl)ccc1Cl)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCCCn1c(N)c(N(CC)C(=O)c2nc(Cl)ccc2Cl)c(=O)[nH]c1=O CCCC[*:1] CCN(C(=O)c1nc(Cl)ccc1Cl)c1c(N)n(c(=O)[nH]c1=O)[*:1]
Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCCSCC3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1nc(cs1)C[NH+]1CCCSCC1)N[*:1]
O=c1[nH]nc2ccc(N3CCN(c4ncccc4Cl)CC3)nn12 Clc1cccnc1[*:1] O=c1[nH]nc2ccc(nn12)N1CCN(CC1)[*:1]
Fc1ccc(COc2ccc(Br)cc2CNn2cn[nH]c2=S)cc1 Fc1ccc(cc1)C[*:1] S=c1[nH]ncn1NCc1cc(Br)ccc1O[*:1]
Fc1ccc(COc2ccc(Br)cc2CNn2cn[nH]c2=S)cc1 Fc1ccc(cc1)[*:1] S=c1[nH]ncn1NCc1cc(Br)ccc1OC[*:1]
CC[C@H](C)NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 CC[C@H](C)NC(=O)[*:1] CN(C[*:1])C1=NS(=O)(=O)c2ccccc21
CC[C@H](C)NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 CC[C@H](C)[*:1] CN(CC(=O)N[*:1])C1=NS(=O)(=O)c2ccccc21
OC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] OC[C@H]([NH2+]Cc1cccc2OCCCOc12)[*:1]
CCOC(=O)NCCC(=O)Nc1nc(-c2ccc(C)cc2C)cs1 CCOC(=O)N[*:1] Cc1ccc(-c2csc(n2)NC(=O)CC[*:1])c(C)c1
CCOC(=O)NCCC(=O)Nc1nc(-c2ccc(C)cc2C)cs1 CCOC(=O)NC[*:1] Cc1ccc(-c2csc(n2)NC(=O)C[*:1])c(C)c1
CCOC(=O)NCCC(=O)Nc1nc(-c2ccc(C)cc2C)cs1 CCOC(=O)NCC[*:1] Cc1ccc(-c2csc(n2)NC(=O)[*:1])c(C)c1
CCOC(=O)NCCC(=O)Nc1nc(-c2ccc(C)cc2C)cs1 Cc1ccc(c(C)c1)[*:1] CCOC(=O)NCCC(=O)Nc1nc(cs1)[*:1]
C[C@H](O)C[C@H](C)CNC(=O)c1ccccc1O C[C@H](O)[*:1] C[C@H](CNC(=O)c1ccccc1O)C[*:1]
C[C@H](O)C[C@H](C)CNC(=O)c1ccccc1O C[C@H](O)C[*:1] C[C@H](CNC(=O)c1ccccc1O)[*:1]
N#CCCn1cc(CN2CCS(=O)(=O)CC2)c(-c2ccccc2)n1 O=S1(=O)CCN(CC1)[*:1] N#CCCn1cc(C[*:1])c(n1)-c1ccccc1
N#CCCn1cc(CN2CCS(=O)(=O)CC2)c(-c2ccccc2)n1 N#CCC[*:1] O=S1(=O)CCN(CC1)Cc1cn(nc1-c1ccccc1)[*:1]
N#CCCn1cc(CN2CCS(=O)(=O)CC2)c(-c2ccccc2)n1 N#CC[*:1] O=S1(=O)CCN(CC1)Cc1cn(C[*:1])nc1-c1ccccc1
N#CCCn1cc(CN2CCS(=O)(=O)CC2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] N#CCCn1cc(CN2CCS(=O)(=O)CC2)c(n1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2=O)cc1 O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
CCOCc1cccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c1 CCOC[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1cccc(c1)[*:1]
CCOCc1cccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c1 CCO[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1cccc(c1)C[*:1]
CSCCCCNC(=O)c1cnc2nc(C)ccc2c1[O-] CSCCC[*:1] Cc1ccc2c([O-])c(cnc2n1)C(=O)NC[*:1]
CSCCCCNC(=O)c1cnc2nc(C)ccc2c1[O-] CSC[*:1] Cc1ccc2c([O-])c(cnc2n1)C(=O)NCCC[*:1]
CSCCCCNC(=O)c1cnc2nc(C)ccc2c1[O-] CSCCCC[*:1] Cc1ccc2c([O-])c(cnc2n1)C(=O)N[*:1]
CSCCCCNC(=O)c1cnc2nc(C)ccc2c1[O-] CSCC[*:1] Cc1ccc2c([O-])c(cnc2n1)C(=O)NCC[*:1]
Cc1cc(C)cc(OCCC[NH+](C)CC(=O)N2CCC(O)CC2)c1 Cc1cc(C)cc(c1)[*:1] C[NH+](CCCO[*:1])CC(=O)N1CCC(O)CC1
C[C@@H]1CO[C@H](c2ccccc2Cl)CN1Cc1cnnn1C Cn1nncc1[*:1] C[C@@H]1CO[C@@H](CN1C[*:1])c1ccccc1Cl
C[C@@H]1CO[C@H](c2ccccc2Cl)CN1Cc1cnnn1C Clc1ccccc1[*:1] C[C@@H]1CO[C@H](CN1Cc1cnnn1C)[*:1]
C[C@@H]1CO[C@H](c2ccccc2Cl)CN1Cc1cnnn1C Cn1nncc1C[*:1] C[C@@H]1CO[C@@H](CN1[*:1])c1ccccc1Cl
CCOC(=O)COn1c([O-])c(-c2cc3ccccc3o2)[n+](=O)c2ccccc21 CCOC(=O)C[*:1] O=[n+]1c(-c2cc3ccccc3o2)c([O-])n(O[*:1])c2ccccc21
CCOC(=O)COn1c([O-])c(-c2cc3ccccc3o2)[n+](=O)c2ccccc21 c1ccc2oc(cc2c1)[*:1] CCOC(=O)COn1c([O-])c([n+](=O)c2ccccc21)[*:1]
CCOC(=O)COn1c([O-])c(-c2cc3ccccc3o2)[n+](=O)c2ccccc21 CCOC(=O)[*:1] O=[n+]1c(-c2cc3ccccc3o2)c([O-])n(OC[*:1])c2ccccc21
COc1cccc(C[NH+]2CCN(C(=O)c3cn(C4CCCCC4)cc(C(=O)NC4CC4)c3=O)CC2)c1 COc1cccc(c1)[*:1] O=C(NC1CC1)c1cn(cc(C(=O)N2CC[NH+](CC2)C[*:1])c1=O)C1CCCCC1
COc1cccc(C[NH+]2CCN(C(=O)c3cn(C4CCCCC4)cc(C(=O)NC4CC4)c3=O)CC2)c1 O=C(NC1CC1)[*:1] COc1cccc(c1)C[NH+]1CCN(CC1)C(=O)c1cn(cc(c1=O)[*:1])C1CCCCC1
COc1cccc(C[NH+]2CCN(C(=O)c3cn(C4CCCCC4)cc(C(=O)NC4CC4)c3=O)CC2)c1 C1CC1[*:1] COc1cccc(c1)C[NH+]1CCN(CC1)C(=O)c1cn(cc(C(=O)N[*:1])c1=O)C1CCCCC1
COc1cccc(C[NH+]2CCN(C(=O)c3cn(C4CCCCC4)cc(C(=O)NC4CC4)c3=O)CC2)c1 C1CCC(CC1)[*:1] COc1cccc(c1)C[NH+]1CCN(CC1)C(=O)c1cn(cc(C(=O)NC2CC2)c1=O)[*:1]
COc1cccc(C[NH+]2CCN(C(=O)c3cn(C4CCCCC4)cc(C(=O)NC4CC4)c3=O)CC2)c1 COc1cccc(c1)C[*:1] O=C(NC1CC1)c1cn(cc(C(=O)N2CC[NH+](CC2)[*:1])c1=O)C1CCCCC1
CSc1cccc(NC(=O)CCSc2ccccc2)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)CCS[*:1]
Cc1ccc(C)c(C(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)c1 Cc1ccc(cc1C)[*:1] Cc1ccc(C)c(c1)C(=O)Nc1nnc(C[*:1])o1
Cc1ccc(C)c(C(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1C)Cc1nnc(NC(=O)[*:1])o1
CN(Cc1ccc(Br)cc1)C(=O)c1cccc(N(C)C)c1 Brc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)N(C)C
CN(Cc1ccc(Br)cc1)C(=O)c1cccc(N(C)C)c1 CN(C)[*:1] CN(Cc1ccc(Br)cc1)C(=O)c1cccc(c1)[*:1]
CCCN([C@@H]1CSCCC1(C)C)[C@@H]1CCC[NH2+]C1 CCC[*:1] CC1(C)CCSC[C@H]1N([C@@H]1CCC[NH2+]C1)[*:1]
C#CCN1CCC(C(=O)NC(C)(C)c2ccc(F)cc2Cl)CC1 C#CC[*:1] CC(C)(NC(=O)C1CCN(CC1)[*:1])c1ccc(F)cc1Cl
O=S(=O)(c1cccs1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 Clc1ccc(cc1)[*:1] O=S(=O)(c1cccs1)N1CCN(CC1)Cc1nc(no1)[*:1]
O=S(=O)(c1cccs1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 c1csc(c1)[*:1] O=S(=O)(N1CCN(CC1)Cc1nc(no1)-c1ccc(Cl)cc1)[*:1]
Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H](O)C2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CC[C@@H](C)[C@H](O)C1
CCOc1ccccc1NC(=O)N1CCN(c2nc3c(OC)cccc3s2)CC1 CCOc1ccccc1[*:1] COc1cccc2sc(nc12)N1CCN(CC1)C(=O)N[*:1]
CCOc1ccccc1NC(=O)N1CCN(c2nc3c(OC)cccc3s2)CC1 CCO[*:1] COc1cccc2sc(nc12)N1CCN(CC1)C(=O)Nc1ccccc1[*:1]
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)o1 N#Cc1ccccc1O[*:1] O=C(c1ccc(C[*:1])o1)N1CCC(CC1)c1nc2ccccc2s1
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)o1 c1ccc2sc(nc2c1)[*:1] N#Cc1ccccc1OCc1ccc(o1)C(=O)N1CCC(CC1)[*:1]
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)o1 N#Cc1ccccc1OC[*:1] O=C(c1ccc(o1)[*:1])N1CCC(CC1)c1nc2ccccc2s1
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)o1 N#Cc1ccccc1[*:1] O=C(c1ccc(CO[*:1])o1)N1CCC(CC1)c1nc2ccccc2s1
CCc1nn(C)c(OC)c1CNC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N1CCC[C@H]1[*:1]
CC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccc(C)c1 CC(=O)[*:1] Cc1cccc(c1)S(=O)(=O)N1CCCC[C@@H]1C[*:1]
CC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccc(C)c1 CC(=O)C[*:1] Cc1cccc(c1)S(=O)(=O)N1CCCC[C@@H]1[*:1]
CCOC(=O)N1CCC([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)[NH2+]C[C@H]1C[C@@H]1[*:1]
C/C(=N\NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1cccc2ccccc12 Fc1ccc(cc1)[*:1] C/C(=N\NC(=O)c1cc([nH]n1)[*:1])c1cccc2ccccc12
O=C([O-])CSc1nnc(C2CC2)n1-c1cccc2ccccc12 O=C([O-])[*:1] c1ccc2c(cccc2c1)-n1c(nnc1C1CC1)SC[*:1]
O=C([O-])CSc1nnc(C2CC2)n1-c1cccc2ccccc12 O=C([O-])C[*:1] c1ccc2c(cccc2c1)-n1c(nnc1C1CC1)S[*:1]
O=C([O-])CSc1nnc(C2CC2)n1-c1cccc2ccccc12 C1CC1[*:1] O=C([O-])CSc1nnc(n1-c1cccc2ccccc12)[*:1]
O=C([O-])CSc1nnc(C2CC2)n1-c1cccc2ccccc12 O=C([O-])CS[*:1] c1ccc2c(cccc2c1)-n1c(nnc1[*:1])C1CC1
O=C(N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1sccc1Br Brc1ccsc1[*:1] O=C(N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[*:1]
CC(C)N1CC[C@H](Nc2ccc(CO)cc2)C1=O CC(C)[*:1] O=C1[C@H](CCN1[*:1])Nc1ccc(cc1)CO
COc1c(F)c(F)cc2c(=O)c(C(=O)NC(C)(C)CO)cn(C3CC3)c12 CC(C)(CO)[*:1] COc1c(F)c(F)cc2c(=O)c(cn(c12)C1CC1)C(=O)N[*:1]
COc1c(F)c(F)cc2c(=O)c(C(=O)NC(C)(C)CO)cn(C3CC3)c12 C1CC1[*:1] COc1c(F)c(F)cc2c(=O)c(cn(c12)[*:1])C(=O)NC(C)(C)CO
COc1c(F)c(F)cc2c(=O)c(C(=O)NC(C)(C)CO)cn(C3CC3)c12 CC(C)(CO)NC(=O)[*:1] COc1c(F)c(F)cc2c(=O)c(cn(c12)C1CC1)[*:1]
O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)c1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[C@@H]1SCC(=O)N1[*:1])c1ccccc1
O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)c1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C1CS[C@@H](c2cccc(c2)[*:1])N1c1ccc(F)cc1
O=C(Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C1CS[C@@H](c2cccc(c2)NC(=O)[*:1])N1c1ccc(F)cc1
CN(C)c1cc(CNC(=O)CSC(C)(C)C)cc[nH+]1 CC(C)(C)[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)CS[*:1]
CN(C)c1cc(CNC(=O)CSC(C)(C)C)cc[nH+]1 CN(C)[*:1] CC(C)(C)SCC(=O)NCc1cc[nH+]c(c1)[*:1]
CN(C)c1cc(CNC(=O)CSC(C)(C)C)cc[nH+]1 CC(C)(C)SC[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)[*:1]
CN(C)c1cc(CNC(=O)CSC(C)(C)C)cc[nH+]1 CC(C)(C)S[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)C[*:1]
C[C@@H]1C[C@@H](N2CCN(c3ccc4nncn4n3)[C@H](C)C2)C(=O)O1 C[C@@H]1C[C@@H](C(=O)O1)[*:1] C[C@@H]1CN(CCN1c1ccc2nncn2n1)[*:1]
C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1 Fc1ccc(cc1Cl)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1ccco1
C[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC[N+](C)(C)C C[N+](C)(C)[*:1] C[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC[*:1]
C[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC[N+](C)(C)C C[N+](C)(C)C[*:1] C[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC[*:1]
C[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC[N+](C)(C)C C[N+](C)(C)CC[*:1] C[C@H](Cc1c[nH]c2ccccc12)NC(=O)O[*:1]
COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1[*:1]
C[C@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(F)cc3)c3ccccc32)C[C@H](C)O1 Fc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Cn1cc(SCC(=O)N[*:1])c2ccccc21
C[C@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(F)cc3)c3ccccc32)C[C@H](C)O1 O=C(Nc1ccc(F)cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Cn1cc(SC[*:1])c2ccccc21
Cc1ccc(CN2CCN(c3cc(C4CC[NH2+]CC4)nc(C)n3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] Cc1nc(cc(n1)N1CCN(C(=O)C1)[*:1])C1CC[NH2+]CC1
Cc1ccc(CN2CCN(c3cc(C4CC[NH2+]CC4)nc(C)n3)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1nc(cc(n1)N1CCN(C[*:1])C(=O)C1)C1CC[NH2+]CC1
O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 Clc1ccc(cc1)[*:1] O=C(c1ccccn1)[C@@H]1[C@H]([C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)[*:1]
O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 O=C(c1ccccn1)[*:1] O=C1Nc2ccccc2[C@]12[C@@H]([C@H](c1ccc(Cl)cc1)[C@H]1CCCN12)[*:1]
O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 c1ccc(nc1)[*:1] O=C1Nc2ccccc2[C@]12[C@H](C(=O)[*:1])[C@H](c1ccc(Cl)cc1)[C@H]1CCCN12
CCOCC[NH+]1CCN(Cc2noc(-c3cccc(C)c3)n2)CC1 CCOCC[*:1] Cc1cccc(c1)-c1nc(CN2CC[NH+](CC2)[*:1])no1
CCOCC[NH+]1CCN(Cc2noc(-c3cccc(C)c3)n2)CC1 CCOC[*:1] Cc1cccc(c1)-c1nc(CN2CC[NH+](CC2)C[*:1])no1
CCOCC[NH+]1CCN(Cc2noc(-c3cccc(C)c3)n2)CC1 Cc1cccc(c1)[*:1] CCOCC[NH+]1CCN(CC1)Cc1noc(n1)[*:1]
CCOCC[NH+]1CCN(Cc2noc(-c3cccc(C)c3)n2)CC1 CCO[*:1] Cc1cccc(c1)-c1nc(CN2CC[NH+](CC2)CC[*:1])no1
O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(CCn1nc(ccc1=O)-c1ccc(Br)cc1)N[*:1]
O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NC[C@@H]1CCCO1 Brc1ccc(cc1)[*:1] O=C(CCn1nc(ccc1=O)[*:1])NC[C@@H]1CCCO1
COCCCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(C)c2=O)C1 COCC[*:1] Cn1c(=O)c(nc2ccccc21)N1CCC[C@H](C1)C(=O)NC[*:1]
COCCCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(C)c2=O)C1 COC[*:1] Cn1c(=O)c(nc2ccccc21)N1CCC[C@H](C1)C(=O)NCC[*:1]
COCCCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(C)c2=O)C1 COCCC[*:1] Cn1c(=O)c(nc2ccccc21)N1CCC[C@H](C1)C(=O)N[*:1]
COCCCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(C)c2=O)C1 COCCCNC(=O)[*:1] Cn1c(=O)c(nc2ccccc21)N1CCC[C@H](C1)[*:1]
Cc1ccc2c(CN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)cc(=O)oc2c1C c1ccc(cc1)CC[*:1] Cc1ccc2c(cc(=O)oc2c1C)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1ccc2c(CN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)cc(=O)oc2c1C c1ccc(cc1)[*:1] Cc1ccc2c(cc(=O)oc2c1C)CN1C(=O)N[C@@](C)(CC[*:1])C1=O
Cc1ccc2c(CN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)cc(=O)oc2c1C c1ccc(cc1)C[*:1] Cc1ccc2c(cc(=O)oc2c1C)CN1C(=O)N[C@@](C)(C[*:1])C1=O
CCC[C@H]1CC[C@H](O)[C@H]([C@@H]2CCOC3(CCOCC3)C2)C1 CCC[*:1] O[C@H]1CC[C@@H](C[C@H]1[C@@H]1CCOC2(CCOCC2)C1)[*:1]
O=C(NCc1nccc2ccccc12)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(NCc1nccc2ccccc12)N[C@H](c1ccccn1)[*:1]
O=C(NCc1nccc2ccccc12)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(NCc1nccc2ccccc12)N[C@H](c1ccccc1)[*:1]
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1csnn1 c1snnc1[*:1] Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)[*:1]
CC[C@@H]1CCCCN1c1ncnc(N2CC[NH+](Cc3ccccc3)CC2)c1N c1ccc(cc1)C[*:1] CC[C@@H]1CCCCN1c1ncnc(c1N)N1CC[NH+](CC1)[*:1]
CC[C@@H]1CCCCN1c1ncnc(N2CC[NH+](Cc3ccccc3)CC2)c1N c1ccc(cc1)[*:1] CC[C@@H]1CCCCN1c1ncnc(c1N)N1CC[NH+](CC1)C[*:1]
CC[C@@H]1CCCCN1c1ncnc(N2CC[NH+](Cc3ccccc3)CC2)c1N CC[C@@H]1CCCCN1[*:1] Nc1c(ncnc1[*:1])N1CC[NH+](CC1)Cc1ccccc1
Cc1cccc(OC(=O)CS(=O)(=O)Cc2cccc(Br)c2)c1C Brc1cccc(c1)[*:1] Cc1cccc(OC(=O)CS(=O)(=O)C[*:1])c1C
O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCC2(CC1)C(=O)Nc1ccccc12 Oc1ccc(cc1)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCC2(CC1)C(=O)Nc1ccccc12
Cc1ccc([C@H](C[NH3+])N(C)[C@@H](C)Cc2cccs2)c(C)c1 c1csc(c1)[*:1] Cc1ccc(c(C)c1)[C@H](C[NH3+])N(C)[C@@H](C)C[*:1]
Cc1ccc([C@H](C[NH3+])N(C)[C@@H](C)Cc2cccs2)c(C)c1 c1csc(c1)C[*:1] Cc1ccc(c(C)c1)[C@H](C[NH3+])N(C)[C@@H](C)[*:1]
Cc1ccc(SCC(=O)N(C)[C@@H](C)CC(C)C)nc1 CC(C)C[C@H](C)[*:1] Cc1ccc(nc1)SCC(=O)N(C)[*:1]
Cc1ccc(SCC(=O)N(C)[C@@H](C)CC(C)C)nc1 CC(C)[*:1] Cc1ccc(nc1)SCC(=O)N(C)[C@@H](C)C[*:1]
Cc1ccc(SCC(=O)N(C)[C@@H](C)CC(C)C)nc1 CC(C)C[*:1] Cc1ccc(nc1)SCC(=O)N(C)[C@@H](C)[*:1]
C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)[C@H]1CCCO1 O=C(N[*:1])c1ccco1 C[C@H](NC(=O)NCc1ccc(cc1)[*:1])[C@H]1CCCO1
C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)[C@H]1CCCO1 c1coc(c1)[*:1] C[C@H](NC(=O)NCc1ccc(cc1)NC(=O)[*:1])[C@H]1CCCO1
CCSCC[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CCSCC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1[*:1]
CCSCC[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F CCSCC[*:1] C[C@H](N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F)[*:1]
CCSCC[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F CCS[*:1] C[C@@H](CC[*:1])N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F
CCSCC[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F CCSCC[C@H](C)[*:1] CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1F)[*:1]
CCSCC[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F CCSC[*:1] C[C@@H](C[*:1])N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F
CNC(=O)CCN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 CNC(=O)CC[*:1] CN(C(=O)COc1ccc(cc1)[N+](=O)[O-])[*:1]
CNC(=O)CCN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CNC(=O)CCN(C)C(=O)COc1ccc(cc1)[*:1]
CNC(=O)CCN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 CNC(=O)[*:1] CN(CC[*:1])C(=O)COc1ccc(cc1)[N+](=O)[O-]
CNC(=O)CCN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 CNC(=O)C[*:1] CN(C[*:1])C(=O)COc1ccc(cc1)[N+](=O)[O-]
CC[C@H](C)[C@H](C#N)Sc1ccccc1Cl CC[C@H](C)[*:1] N#C[C@H](Sc1ccccc1Cl)[*:1]
CCC(=O)NCCOc1cccc(C)c1 CCC(=O)N[*:1] Cc1cccc(c1)OCC[*:1]
CN(C(=O)CSc1nnc(NC[C@@H]2CCCO2)s1)C1=CCCC1 C1CO[C@@H](C1)C[*:1] CN(C(=O)CSc1nnc(N[*:1])s1)C1=CCCC1
CN(C(=O)CSc1nnc(NC[C@@H]2CCCO2)s1)C1=CCCC1 C1CO[C@@H](C1)CN[*:1] CN(C(=O)CSc1nnc(s1)[*:1])C1=CCCC1
CN(C(=O)CSc1nnc(NC[C@@H]2CCCO2)s1)C1=CCCC1 C1CO[C@@H](C1)[*:1] CN(C(=O)CSc1nnc(NC[*:1])s1)C1=CCCC1
COc1ccccc1[C@H](C)CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] COc1ccccc1[C@H](C)CC(=O)Nc1n[nH]c2ccc(cc12)[*:1]
COc1ccccc1[C@H](C)CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 COc1ccccc1[*:1] C[C@H](CC(=O)Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC2)c(Cl)c1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1Cl)[*:1])N1CCCC1
C[C@@H](C(N)=O)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O C[C@@H](C(N)=O)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1[*:1]
C[C@@H](C(N)=O)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O NC(=O)[*:1] C[C@@H](N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)[*:1]
O=C([O-])c1ccc(-c2ccc(S(=O)(=O)[O-])cc2)cc1 O=S(=O)([O-])[*:1] O=C([O-])c1ccc(cc1)-c1ccc(cc1)[*:1]
O=C([O-])c1ccc(-c2ccc(S(=O)(=O)[O-])cc2)cc1 O=C([O-])[*:1] O=S(=O)([O-])c1ccc(cc1)-c1ccc(cc1)[*:1]
Cc1ccc(F)c(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 Cc1ccc(F)c(c1)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N[*:1])C2=O
COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C)CC2 COC[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCc2nc(nn2C1)[*:1]
COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C)CC2 CC(C)[*:1] COCc1nc2CC[C@H](Cn2n1)[NH2+][C@@H]1C[C@H](C)CC[C@H]1[*:1]
CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2Cl)cc1 CCO[*:1] Cc1nnc2S[C@H](C(=O)Nc3ccccc3Cl)[C@H](Nn12)c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2Cl)cc1 CCOc1ccc(cc1)[*:1] Cc1nnc2S[C@H](C(=O)Nc3ccccc3Cl)[C@H](Nn12)[*:1]
CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCOc1ccc(cc1)[C@H]1Nn2c(C)nnc2S[C@@H]1C(=O)N[*:1]
COc1ccc2c(c1)C=C(C(=O)N(Cc1ccccc1)[C@H](C)CCO)CO2 c1ccc(cc1)[*:1] COc1ccc2OCC(=Cc2c1)C(=O)N(C[*:1])[C@H](C)CCO
COc1ccc2c(c1)C=C(C(=O)N(Cc1ccccc1)[C@H](C)CCO)CO2 c1ccc(cc1)C[*:1] COc1ccc2OCC(=Cc2c1)C(=O)N([C@H](C)CCO)[*:1]
COc1ccc2c(c1)C=C(C(=O)N(Cc1ccccc1)[C@H](C)CCO)CO2 OCC[*:1] COc1ccc2OCC(=Cc2c1)C(=O)N(Cc1ccccc1)[C@H](C)[*:1]
S=C(NCCN1CCOCC1)NC1CCCCCC1 C1CN(CCO1)[*:1] S=C(NCC[*:1])NC1CCCCCC1
CCNc1nnc(Sc2c(C#N)c(=O)n(C)c(=O)n2C)s1 CCN[*:1] Cn1c(Sc2nnc(s2)[*:1])c(C#N)c(=O)n(C)c1=O
COC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(C)oc2C)CC1 COC(=O)[*:1] Cc1cc(C(=O)N2CCC(CC2)(c2ccccc2)[*:1])c(C)o1
COC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(C)oc2C)CC1 Cc1cc(c(C)o1)[*:1] COC(=O)C1(CCN(CC1)C(=O)[*:1])c1ccccc1
COC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(C)oc2C)CC1 c1ccc(cc1)[*:1] COC(=O)C1(CCN(CC1)C(=O)c1cc(C)oc1C)[*:1]
CCc1nnc(NC(=O)C(C)(C)Nc2ccc([N+](=O)[O-])cc2)s1 CCc1nnc(s1)[*:1] CC(C)(Nc1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
CCc1nnc(NC(=O)C(C)(C)Nc2ccc([N+](=O)[O-])cc2)s1 O=[N+]([O-])[*:1] CCc1nnc(NC(=O)C(C)(C)Nc2ccc(cc2)[*:1])s1
CCOC(=O)CN(CC)C(=O)Cc1cccc(O)c1 CCOC(=O)[*:1] CCN(C[*:1])C(=O)Cc1cccc(O)c1
CCOC(=O)CN(CC)C(=O)Cc1cccc(O)c1 CCOC(=O)C[*:1] CCN(C(=O)Cc1cccc(O)c1)[*:1]
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@H](SCc4nc(-c5ccc(C)cc5)oc4C)N3N2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(CS[C@H]2N=NC(=O)[C@H]3C=C(NN23)[*:1])c(C)o1
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@H](SCc4nc(-c5ccc(C)cc5)oc4C)N3N2)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@H](SCc3nc(oc3C)[*:1])N2N1
CC(C)(C)c1cc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccn2)no1 CC(C)(C)c1cc(no1)[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)C(=O)N[*:1]
CC(C)(C)c1cc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccn2)no1 c1ccc(cc1)[*:1] CC(C)(C)c1cc(no1)NC(=O)C(=O)N[C@H](c1ccccn1)[*:1]
CC(C)(C)c1cc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccn2)no1 CC(C)(C)[*:1] O=C(Nc1cc(on1)[*:1])C(=O)N[C@H](c1ccccc1)c1ccccn1
CC(C)(C)c1cc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccn2)no1 c1ccc(nc1)[*:1] CC(C)(C)c1cc(no1)NC(=O)C(=O)N[C@H](c1ccccc1)[*:1]
CO[C@H](C)c1noc(CNc2ccc(Sc3ccccc3)cc2C)n1 c1ccc(cc1)[*:1] CO[C@H](C)c1noc(CNc2ccc(cc2C)S[*:1])n1
CO[C@H](C)c1noc(CNc2ccc(Sc3ccccc3)cc2C)n1 c1ccc(cc1)S[*:1] CO[C@H](C)c1noc(CNc2ccc(cc2C)[*:1])n1
CN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 Brc1ccccc1[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc(Cl)cc1
CN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(CC(=O)Nc1ccccc1Br)S(=O)(=O)[*:1]
CC(C)[C@H]([NH2+]Cc1cc[nH]c1)c1nc2ccccc2[nH]1 c1cc(c[nH]1)[*:1] CC(C)[C@H]([NH2+]C[*:1])c1nc2ccccc2[nH]1
CC(C)[C@H]([NH2+]Cc1cc[nH]c1)c1nc2ccccc2[nH]1 CC(C)[*:1] c1ccc2[nH]c(nc2c1)[C@@H]([NH2+]Cc1cc[nH]c1)[*:1]
COC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)nc3ccccc23)CN1Cc1cccc(C(F)(F)F)c1 Cc1cc(c2ccccc2n1)[*:1] COC(=O)[C@@H]1C[C@H](CN1Cc1cccc(c1)C(F)(F)F)NC(=O)[*:1]
COC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)nc3ccccc23)CN1Cc1cccc(C(F)(F)F)c1 COC(=O)[*:1] Cc1cc(C(=O)N[C@@H]2C[C@H](N(Cc3cccc(c3)C(F)(F)F)C2)[*:1])c2ccccc2n1
COC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)nc3ccccc23)CN1Cc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)C[*:1] COC(=O)[C@@H]1C[C@H](CN1[*:1])NC(=O)c1cc(C)nc2ccccc12
COC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)nc3ccccc23)CN1Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)[C@@H]1C[C@H](CN1Cc1cccc(c1)[*:1])NC(=O)c1cc(C)nc2ccccc12
COC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)nc3ccccc23)CN1Cc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] COC(=O)[C@@H]1C[C@H](CN1C[*:1])NC(=O)c1cc(C)nc2ccccc12
COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1OC c1coc(c1)[*:1] COc1cc(C)c(cc1OC)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[*:1]
COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1OC O=C(N[*:1])c1ccco1 COc1cc(C)c(cc1OC)[C@@H](C)NC(=O)[C@@H](C)[*:1]
O=C(NCc1ccccc1Cn1cccn1)[C@@H]1Cc2cc(Cl)ccc2O1 c1cnn(c1)[*:1] O=C(NCc1ccccc1C[*:1])[C@@H]1Cc2cc(Cl)ccc2O1
O=C(NCc1ccccc1Cn1cccn1)[C@@H]1Cc2cc(Cl)ccc2O1 c1cnn(c1)C[*:1] O=C(NCc1ccccc1[*:1])[C@@H]1Cc2cc(Cl)ccc2O1
CN(C)C(=O)c1ccc(N[C@@H]2CCC[C@H]2C(=O)[O-])nc1 CN(C)C(=O)[*:1] O=C([O-])[C@@H]1CCC[C@H]1Nc1ccc(cn1)[*:1]
CN(C)C(=O)c1ccc(N[C@@H]2CCC[C@H]2C(=O)[O-])nc1 O=C([O-])[*:1] CN(C)C(=O)c1ccc(nc1)N[C@@H]1CCC[C@@H]1[*:1]
CC[C@@H](CCO)CNC(=O)/C=C/c1c(Cl)cccc1Cl CC[C@@H](CCO)[*:1] O=C(/C=C/c1c(Cl)cccc1Cl)NC[*:1]
CC[C@@H](CCO)CNC(=O)/C=C/c1c(Cl)cccc1Cl OCC[*:1] CC[C@@H](CNC(=O)/C=C/c1c(Cl)cccc1Cl)[*:1]
CC(C)[NH+]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C#N)C1 CC(C)[*:1] N#Cc1c(NC(=O)c2ccc(Cl)cc2Cl)sc2C[NH+](CCc21)[*:1]
CC(C)[NH+]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C#N)C1 Clc1ccc(c(Cl)c1)[*:1] CC(C)[NH+]1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=S(=O)(N1CCN(CC1)c1cc(ncn1)-c1ccccc1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)c1 O=[N+]([O-])[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCN(CC1)c1cc(ncn1)-c1ccccc1
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1cc(ncn1)[*:1]
Cc1cncc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 Cc1cncc(c1)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[*:1]
Cc1cncc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 c1coc(c1)[*:1] Cc1cncc(c1)NC(=O)NC[C@@H]([NH+]1CCCCC1)[*:1]
CC(=O)Nc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)s1 Cn1ccnc1[*:1] CC(=O)Nc1ccc(s1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC(=O)Nc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)s1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(s1)C(=O)N[C@H](c1nccn1C)[*:1]
CC(=O)Nc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)s1 CC(=O)N[*:1] Cn1ccnc1[C@H](NC(=O)c1ccc(s1)[*:1])c1ccc(F)cc1
COc1cccc(N2CC[NH+]([C@@H](C)C(=O)NC[C@H]3CCCO3)CC2)c1 C1CO[C@H](C1)[*:1] COc1cccc(c1)N1CC[NH+](CC1)[C@@H](C)C(=O)NC[*:1]
COc1cccc(N2CC[NH+]([C@@H](C)C(=O)NC[C@H]3CCCO3)CC2)c1 C1CO[C@H](C1)C[*:1] COc1cccc(c1)N1CC[NH+](CC1)[C@@H](C)C(=O)N[*:1]
COc1cccc(N2CC[NH+]([C@@H](C)C(=O)NC[C@H]3CCCO3)CC2)c1 COc1cccc(c1)[*:1] C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(CC1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1F)c1ccc2c(c1)CCO2 Fc1cccc(F)c1[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])c1ccc2OCCc2c1
NC(=O)C1CCN(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] NC(=O)C1CCN(CC1)C(=O)CSc1nc2cc(ccc2n1[*:1])C(F)(F)F
NC(=O)C1CCN(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)CC1 FC(F)(F)[*:1] NC(=O)C1CCN(CC1)C(=O)CSc1nc2cc(ccc2n1Cc1ccccc1)[*:1]
NC(=O)C1CCN(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)CSc1nc2cc(ccc2n1C[*:1])C(F)(F)F
NC(=O)C1CCN(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)CC1 NC(=O)[*:1] O=C(CSc1nc2cc(ccc2n1Cc1ccccc1)C(F)(F)F)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)CC1 NC(=O)C1CCN(CC1)C(=O)[*:1] FC(F)(F)c1ccc2c(c1)nc(SC[*:1])n2Cc1ccccc1
CCCc1nnc(Cn2nc(-c3ccco3)oc2=O)s1 CCC[*:1] O=c1oc(nn1Cc1nnc(s1)[*:1])-c1ccco1
CCCc1nnc(Cn2nc(-c3ccco3)oc2=O)s1 c1coc(c1)[*:1] CCCc1nnc(Cn2nc(oc2=O)[*:1])s1
CN(CC1CC1)C(=O)CN1CCN(c2cccc[nH+]2)CC1 C1CC1C[*:1] CN(C(=O)CN1CCN(CC1)c1cccc[nH+]1)[*:1]
CN(CC1CC1)C(=O)CN1CCN(c2cccc[nH+]2)CC1 C1CC1[*:1] CN(C[*:1])C(=O)CN1CCN(CC1)c1cccc[nH+]1
N#CC1=C(N)OC2=c3ccccc3=[NH+]C(=O)[C@@H]2[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CC1=C(N)OC2=c3ccccc3=[NH+]C(=O)[C@@H]2[C@H]1[*:1]
Cc1oc2ncn(CC(=O)NCCN3CCOCC3)c(=O)c2c1C C1CN(CCO1)CC[*:1] Cc1oc2ncn(CC(=O)N[*:1])c(=O)c2c1C
Cc1oc2ncn(CC(=O)NCCN3CCOCC3)c(=O)c2c1C C1CN(CCO1)[*:1] Cc1oc2ncn(CC(=O)NCC[*:1])c(=O)c2c1C
Cc1oc2ncn(CC(=O)NCCN3CCOCC3)c(=O)c2c1C C1CN(CCO1)C[*:1] Cc1oc2ncn(CC(=O)NC[*:1])c(=O)c2c1C
O=C(NCc1ccc2c(c1)OCCO2)c1cccnc1 c1cncc(c1)[*:1] O=C(NCc1ccc2OCCOc2c1)[*:1]
CCCc1cc(N)c2cc(Br)cc(C)c2[nH+]1 CCC[*:1] Cc1cc(Br)cc2c(N)cc([nH+]c12)[*:1]
Cc1ccc(NCC(=O)NNC(=O)c2nc(C3CC3)n3ccccc23)cc1 Cc1ccc(cc1)NC[*:1] O=C(NNC(=O)[*:1])c1nc(C2CC2)n2ccccc12
Cc1ccc(NCC(=O)NNC(=O)c2nc(C3CC3)n3ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C(CN[*:1])NNC(=O)c1nc(C2CC2)n2ccccc12
Cc1ccc(NCC(=O)NNC(=O)c2nc(C3CC3)n3ccccc23)cc1 C1CC1[*:1] Cc1ccc(cc1)NCC(=O)NNC(=O)c1nc(n2ccccc12)[*:1]
Cc1ccc(NCC(=O)NNC(=O)c2nc(C3CC3)n3ccccc23)cc1 Cc1ccc(cc1)N[*:1] O=C(C[*:1])NNC(=O)c1nc(C2CC2)n2ccccc12
C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccnc(-n3cnnc3)c2)C1 c1nncn1[*:1] C[NH+](C)C[C@@]1(O)CCN(C1)C(=O)c1ccnc(c1)[*:1]
Cc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn12 Cc1nnc2sc(nn12)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn12 O=[N+]([O-])[*:1] Cc1nnc2sc(nn12)-c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
Cc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn12 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1nnc2sc(nn12)-c1cccc(c1)NC(=O)[*:1]
CCN1C(=O)C[C@H](C(=O)Nc2cccc(OC)c2)S/C1=N/c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CCN1C(=O)C[C@@H](SC1=N[*:1])C(=O)Nc1cccc(c1)OC
CCN1C(=O)C[C@H](C(=O)Nc2cccc(OC)c2)S/C1=N/c1ccc(Cl)c(Cl)c1 COc1cccc(c1)[*:1] CCN1C(=O)C[C@@H](S/C1=N/c1ccc(Cl)c(Cl)c1)C(=O)N[*:1]
Cc1ccc(CC(=O)N2CCC[C@H]2c2ccnc3cc(C(C)(C)C)nn23)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)c1cc2nccc([C@@H]3CCCN3C(=O)C[*:1])n2n1
Cc1ccc(CC(=O)N2CCC[C@H]2c2ccnc3cc(C(C)(C)C)nn23)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)CC(=O)N1CCC[C@H]1c1ccnc2cc(nn12)[*:1]
Cc1ccc(CC(=O)N2CCC[C@H]2c2ccnc3cc(C(C)(C)C)nn23)cc1 Cc1ccc(cc1)C[*:1] CC(C)(C)c1cc2nccc([C@@H]3CCCN3C(=O)[*:1])n2n1
CC(=O)c1c[nH]c(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1 CC(=O)[*:1] O=C(NCC1CCN(CC1)C(=O)C(F)(F)F)c1cc(c[nH]1)[*:1]
CC(=O)c1c[nH]c(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1 FC(F)(F)[*:1] CC(=O)c1c[nH]c(c1)C(=O)NCC1CCN(CC1)C(=O)[*:1]
CC(=O)c1c[nH]c(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c1 CC(=O)c1c[nH]c(c1)[*:1] O=C(N1CCC(CC1)CNC(=O)[*:1])C(F)(F)F
COC(=O)C1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)CC1 COC(=O)[*:1] Cn1c(=O)c2cc(sc2n(C)c1=O)C(=O)N1CCC(CC1)[*:1]
C[NH2+][C@H]1c2cccc(OC(F)F)c2[C@H](C)[C@H]1C FC(F)O[*:1] C[NH2+][C@H]1c2cccc(c2[C@H](C)[C@H]1C)[*:1]
C[NH2+][C@H]1c2cccc(OC(F)F)c2[C@H](C)[C@H]1C FC(F)[*:1] C[NH2+][C@H]1c2cccc(O[*:1])c2[C@H](C)[C@H]1C
COc1cc(-c2onc(C)c2C(=O)NC2Cc3ccccc3C2)cc(OC)c1OC c1ccc2CC(Cc2c1)[*:1] COc1cc(cc(OC)c1OC)-c1onc(C)c1C(=O)N[*:1]
Cc1noc(C)c1COc1ccc(C(=O)Oc2ccc3cn[nH]c3c2)cc1 Cc1noc(C)c1C[*:1] O=C(Oc1ccc2cn[nH]c2c1)c1ccc(cc1)O[*:1]
Cc1noc(C)c1COc1ccc(C(=O)Oc2ccc3cn[nH]c3c2)cc1 c1cc2cn[nH]c2cc1[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)O[*:1]
Cc1noc(C)c1COc1ccc(C(=O)Oc2ccc3cn[nH]c3c2)cc1 Cc1noc(C)c1CO[*:1] O=C(Oc1ccc2cn[nH]c2c1)c1ccc(cc1)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)Oc2ccc3cn[nH]c3c2)cc1 Cc1noc(C)c1[*:1] O=C(Oc1ccc2cn[nH]c2c1)c1ccc(cc1)OC[*:1]
CC(C)Cn1cncc1CCl CC(C)[*:1] ClCc1cncn1C[*:1]
CC(C)n1ncc2cc(/C=C/C(=O)O[C@H]3C[C@H]4CC[C@@H]3C4)c(=O)[nH]c21 CC(C)[*:1] O=C(/C=C/c1cc2cnn(c2[nH]c1=O)[*:1])O[C@H]1C[C@H]2CC[C@@H]1C2
C[C@H](C(=O)N(C)CC(=O)Nc1cccc2cn[nH]c12)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)N(C)CC(=O)Nc1cccc2cn[nH]c12)[*:1]
O=C([O-])Cn1cc(S(=O)(=O)NC2COC2)cn1 O=C([O-])C[*:1] O=S(=O)(NC1COC1)c1cnn(c1)[*:1]
O=C([O-])Cn1cc(S(=O)(=O)NC2COC2)cn1 O=C([O-])[*:1] O=S(=O)(NC1COC1)c1cnn(c1)C[*:1]
O=C([O-])Cn1cc(S(=O)(=O)NC2COC2)cn1 C1OCC1[*:1] O=C([O-])Cn1cc(cn1)S(=O)(=O)N[*:1]
CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N(C)Cc1ccc(Cl)cc1 CC(C)[*:1] CN(Cc1ccc(Cl)cc1)S(=O)(=O)N1CCNC(=O)[C@@H]1[*:1]
CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N(C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N(C)C[*:1]
Cc1cccc(Nc2nnc(S[C@H](C)C(=O)NCC(F)(F)F)s2)c1C FC(F)(F)[*:1] Cc1cccc(Nc2nnc(S[C@H](C)C(=O)NC[*:1])s2)c1C
Cc1cccc(Nc2nnc(S[C@H](C)C(=O)NCC(F)(F)F)s2)c1C Cc1cccc(c1C)[*:1] C[C@@H](Sc1nnc(N[*:1])s1)C(=O)NCC(F)(F)F
Cc1cccc(Nc2nnc(S[C@H](C)C(=O)NCC(F)(F)F)s2)c1C FC(F)(F)C[*:1] Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[*:1])s2)c1C
Cc1cccc(Nc2nnc(S[C@H](C)C(=O)NCC(F)(F)F)s2)c1C O=C(NCC(F)(F)F)[*:1] Cc1cccc(Nc2nnc(S[C@H](C)[*:1])s2)c1C
Cc1cc(C)cc(C[S@@](=O)CC(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] Cc1cc(C)cc(c1)C[S@@](=O)CC(=O)N[*:1]
Cc1cc(C)cc(C[S@@](=O)CC(=O)NCc2ccco2)c1 c1coc(c1)[*:1] Cc1cc(C)cc(c1)C[S@@](=O)CC(=O)NC[*:1]
O=C(CSc1nc2c(c(=O)[nH]1)CCC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc2CCCc2c(=O)[nH]1)N1CCN(CC1)C(c1ccccc1)[*:1]
Cc1cc(N2CC[NH+](C)CC2)nc(SC(=O)C(F)(F)F)n1 FC(F)(F)[*:1] Cc1cc(nc(n1)SC(=O)[*:1])N1CC[NH+](C)CC1
Cc1cc(N2CC[NH+](C)CC2)nc(SC(=O)C(F)(F)F)n1 O=C(S[*:1])C(F)(F)F Cc1cc(nc(n1)[*:1])N1CC[NH+](C)CC1
O=C(CCn1cncn1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1 c1ncn(n1)[*:1] O=C(CC[*:1])N1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1
O=C(CCn1cncn1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1 c1ncn(CC[*:1])n1 O=C1CC[C@H]2CN(CC[C@H]2N1CCC1=CCCCC1)C(=O)[*:1]
O=C(CCn1cncn1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1 c1ncn(C[*:1])n1 O=C(C[*:1])N1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1
CN(C1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 C1CCCC(CC1)[*:1] CN(S(=O)(=O)c1ccc(nc1)[N+](=O)[O-])[*:1]
CN(C1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 O=[N+]([O-])[*:1] CN(C1CCCCCC1)S(=O)(=O)c1ccc(nc1)[*:1]
CCn1cc(C(=O)N2CCc3cc(C)ccc32)c(C(C)C)n1 CC(C)[*:1] CCn1cc(C(=O)N2CCc3cc(C)ccc32)c(n1)[*:1]
CC(C)COc1ccc(CC(=O)[O-])cc1 CC(C)C[*:1] O=C([O-])Cc1ccc(cc1)O[*:1]
CC(C)COc1ccc(CC(=O)[O-])cc1 CC(C)CO[*:1] O=C([O-])Cc1ccc(cc1)[*:1]
CC(C)COc1ccc(CC(=O)[O-])cc1 CC(C)[*:1] O=C([O-])Cc1ccc(cc1)OC[*:1]
CC(C)COc1ccc(CC(=O)[O-])cc1 O=C([O-])[*:1] CC(C)COc1ccc(cc1)C[*:1]
CC(C)COc1ccc(CC(=O)[O-])cc1 O=C([O-])C[*:1] CC(C)COc1ccc(cc1)[*:1]
O=C(c1cncc(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)n1)N1CCCC1 O=C(N1CCCC1)[*:1] OCCC[C@@H]1CN(CC[C@@H]1N1CCOCC1)c1cncc(n1)[*:1]
O=C(c1cncc(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)n1)N1CCCC1 OCC[*:1] O=C(c1cncc(n1)N1CC[C@@H]([C@@H](C1)C[*:1])N1CCOCC1)N1CCCC1
O=C(c1cncc(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)n1)N1CCCC1 OCCC[*:1] O=C(c1cncc(n1)N1CC[C@@H]([C@H](C1)[*:1])N1CCOCC1)N1CCCC1
O=C(c1cncc(N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)n1)N1CCCC1 C1CN(CCO1)[*:1] O=C(c1cncc(n1)N1CC[C@H]([C@H](CCCO)C1)[*:1])N1CCCC1
O=C([O-])CC1(CN2CC3(CCCCC3)CC2=O)CCCCC1 O=C([O-])C[*:1] O=C1CC2(CCCCC2)CN1CC1(CCCCC1)[*:1]
O=C([O-])CC1(CN2CC3(CCCCC3)CC2=O)CCCCC1 O=C([O-])[*:1] O=C1CC2(CCCCC2)CN1CC1(CCCCC1)C[*:1]
Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)Nc3ccccc3)cc2c1 c1ccc(cc1)C[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=S)Nc1ccccc1)[*:1]
Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)Nc3ccccc3)cc2c1 c1ccc(cc1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C[*:1])C(=S)Nc1ccccc1
Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)Nc3ccccc3)cc2c1 c1ccc(cc1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(Cc1ccccc1)C(=S)N[*:1]
Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] Nc1c(nnn1[*:1])-c1nc(no1)-c1ccc2OCOc2c1
Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1cccc(C(F)(F)F)c1 c1cc2OCOc2cc1[*:1] Nc1c(nnn1-c1cccc(c1)C(F)(F)F)-c1nc(no1)[*:1]
Nc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Nc1c(nnn1-c1cccc(c1)[*:1])-c1nc(no1)-c1ccc2OCOc2c1
C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cnc2ccsc2c1 C[C@@H](O)C[*:1] C[C@@H]([NH2+]CC(C)(C)[*:1])c1cnc2ccsc2c1
C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cnc2ccsc2c1 C[C@@H](O)[*:1] C[C@@H]([NH2+]CC(C)(C)C[*:1])c1cnc2ccsc2c1
CO[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)c1ccc(F)cc1 O=C1CC[C@H](N1)[*:1] CO[C@@H](CNC(=O)[*:1])c1ccc(F)cc1
C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C=CCN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1ccc(Cl)cc1
C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1 Clc1ccc(cc1)[*:1] C=CCN1C(=O)C[C@H](S/C1=N\c1cccc(Cl)c1)C(=O)N[*:1]
C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1 C=CC[*:1] O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(/C(=N/c2cccc(Cl)c2)S1)[*:1]
CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1C O=S1(=O)CC[C@@H](C1)[*:1] CCN(S(=O)(=O)c1ccc(cc1C)N1C(=O)[C@H](C)CS1(=O)=O)[*:1]
CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1C C[C@@H]1CS(=O)(=O)N(C1=O)[*:1] CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(cc1C)[*:1]
O=C(NC1CCCCC1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 C1CCC(CC1)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1cc2ccccc2s1
CC(C)(C)[NH2+]CC[C@@](C)(O)[C@H]1CCOC2(CCC2)C1 CC(C)(C)[*:1] C[C@@](O)(CC[NH2+][*:1])[C@H]1CCOC2(CCC2)C1
Cc1sc2nc(N(C)C)oc(=O)c2c1C CN(C)[*:1] Cc1sc2nc(oc(=O)c2c1C)[*:1]
C[C@@H](Nc1ncnc2sc3c(c12)CCC3)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1ncnc2sc3CCCc3c12)[*:1]
CCS(=O)(=O)NCc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCS(=O)(=O)NCc1ccc(cc1)O[*:1]
CCS(=O)(=O)NCc1ccc(OCc2ccccc2)cc1 CCS(=O)(=O)NC[*:1] c1ccc(cc1)COc1ccc(cc1)[*:1]
CCS(=O)(=O)NCc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCS(=O)(=O)NCc1ccc(cc1)OC[*:1]
CCS(=O)(=O)NCc1ccc(OCc2ccccc2)cc1 CCS(=O)(=O)N[*:1] c1ccc(cc1)COc1ccc(cc1)C[*:1]
C[C@@H]1CCCN(c2nc[nH+]c(N(C)c3ccccc3)c2N)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)c1nc[nH+]c(c1N)N(C)[*:1]
C[C@@H]1CCCN(c2nc[nH+]c(N(C)c3ccccc3)c2N)C1 C[C@@H]1CCCN(C1)[*:1] CN(c1ccccc1)c1[nH+]cnc(c1N)[*:1]
Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCN(c4ccccc4F)CC3)c2c1 c1cncc(c1)[*:1] Cc1ccc2nc(cc(C(=O)N3CCN(CC3)c3ccccc3F)c2c1)[*:1]
Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCN(c4ccccc4F)CC3)c2c1 Fc1ccccc1[*:1] Cc1ccc2nc(cc(C(=O)N3CCN(CC3)[*:1])c2c1)-c1cccnc1
CCCCNC(=O)CCN1C(=O)COc2ccccc21 CCC[*:1] O=C(CCN1C(=O)COc2ccccc21)NC[*:1]
CCCCNC(=O)CCN1C(=O)COc2ccccc21 CCCC[*:1] O=C(CCN1C(=O)COc2ccccc21)N[*:1]
CCC1CN(c2cccc(F)c2C(=O)[O-])C1 O=C([O-])[*:1] CCC1CN(C1)c1cccc(F)c1[*:1]
O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N(Cc1ccco1)Cc1ccco1 c1coc(c1)[*:1] O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N(Cc1ccco1)C[*:1]
O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N(Cc1ccco1)Cc1ccco1 c1coc(c1)C[*:1] O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N(Cc1ccco1)[*:1]
Cn1c(N2CCOCC2)nn(CN2CCO[C@@H](c3cccc(F)c3)C2)c1=S Fc1cccc(c1)[*:1] Cn1c(nn(CN2CCO[C@@H](C2)[*:1])c1=S)N1CCOCC1
Cn1c(N2CCOCC2)nn(CN2CCO[C@@H](c3cccc(F)c3)C2)c1=S C1CN(CCO1)[*:1] Cn1c(nn(CN2CCO[C@H](C2)c2cccc(F)c2)c1=S)[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC1)[*:1]
CCC[C@@H](C)CN1C(=O)[C@H](CC)NC(=O)c2ccccc21 CCC[C@@H](C)[*:1] CC[C@@H]1NC(=O)c2ccccc2N(C[*:1])C1=O
CCC[C@@H](C)CN1C(=O)[C@H](CC)NC(=O)c2ccccc21 CCC[*:1] CC[C@@H]1NC(=O)c2ccccc2N(C[C@H](C)[*:1])C1=O
CCC[C@@H](C)CN1C(=O)[C@H](CC)NC(=O)c2ccccc21 CCC[C@@H](C)C[*:1] CC[C@@H]1NC(=O)c2ccccc2N(C1=O)[*:1]
O=C(CCOC[C@@H]1CCCO1)N1CCC1 C1CO[C@@H](C1)[*:1] O=C(CCOC[*:1])N1CCC1
[NH2+]=C(NCCC(=O)NC1CC1)Nc1ccccc1 O=C(NC1CC1)[*:1] [NH2+]=C(NCC[*:1])Nc1ccccc1
[NH2+]=C(NCCC(=O)NC1CC1)Nc1ccccc1 c1ccc(cc1)[*:1] [NH2+]=C(NCCC(=O)NC1CC1)N[*:1]
[NH2+]=C(NCCC(=O)NC1CC1)Nc1ccccc1 C1CC1[*:1] [NH2+]=C(NCCC(=O)N[*:1])Nc1ccccc1
CCOC(=O)N1CCCSC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] CCOC(=O)N1CCCSC[C@H]1C[*:1]
Cc1cc(C(=O)N(C)CCOc2ccccc2)ccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N(C)CCO[*:1]
Cc1cc(C(=O)N(C)CCOc2ccccc2)ccc1[N+](=O)[O-] c1ccc(cc1)O[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N(C)CC[*:1]
Cc1cc(C(=O)N(C)CCOc2ccccc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)N(C)CCOc1ccccc1
CCCc1noc(CNc2ccc(NC(=O)C3CC3)cc2)n1 O=C(N[*:1])C1CC1 CCCc1noc(CNc2ccc(cc2)[*:1])n1
CCCc1noc(CNc2ccc(NC(=O)C3CC3)cc2)n1 CCC[*:1] O=C(Nc1ccc(cc1)NCc1nc(no1)[*:1])C1CC1
CCCc1noc(CNc2ccc(NC(=O)C3CC3)cc2)n1 C1CC1[*:1] CCCc1noc(CNc2ccc(cc2)NC(=O)[*:1])n1
O=C1CN(C[C@@H]2CN3CCC[C@@H]3CO2)C(=O)[C@@H](C2CC2)N1 C1CC1[*:1] O=C1CN(C[C@@H]2CN3CCC[C@@H]3CO2)C(=O)[C@@H](N1)[*:1]
CCOC(=O)C1=C(C)[C@H]2C(=O)NC(CN3CCc4cc(OC)c(OC)cc4C3)=N[C@@H]2S1 CCOC(=O)[*:1] COc1cc2CCN(CC3=N[C@@H]4SC(=C(C)[C@H]4C(=O)N3)[*:1])Cc2cc1OC
N#Cc1ccc(NC[C@H](O)COc2ccc(F)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1ccc(NC[C@H](O)COc2ccc(F)cc2)c(c1)[*:1]
N#Cc1ccc(NC[C@H](O)COc2ccc(F)cc2)c([N+](=O)[O-])c1 Fc1ccc(cc1)O[*:1] N#Cc1ccc(NC[C@H](O)C[*:1])c(c1)[N+](=O)[O-]
N#Cc1ccc(NC[C@H](O)COc2ccc(F)cc2)c([N+](=O)[O-])c1 Fc1ccc(cc1)[*:1] N#Cc1ccc(NC[C@H](O)CO[*:1])c(c1)[N+](=O)[O-]
Cc1nnc(-c2cccc(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)c2)o1 Cc1nnc(o1)[*:1] O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(c1)[*:1]
CCN(CC)C(=O)N1CCC(CC(=O)NC)CC1 CNC(=O)C[*:1] CCN(CC)C(=O)N1CCC(CC1)[*:1]
CCN(CC)C(=O)N1CCC(CC(=O)NC)CC1 CNC(=O)[*:1] CCN(CC)C(=O)N1CCC(CC1)C[*:1]
CCOC(=O)/C(C#N)=C/Nc1sc(C)c(-c2ccccc2)c1C(N)=O NC(=O)[*:1] CCOC(=O)/C(C#N)=C/Nc1sc(C)c(-c2ccccc2)c1[*:1]
CCOC(=O)/C(C#N)=C/Nc1sc(C)c(-c2ccccc2)c1C(N)=O CCOC(=O)[*:1] Cc1sc(NC=C(C#N)[*:1])c(C(N)=O)c1-c1ccccc1
CCOC(=O)/C(C#N)=C/Nc1sc(C)c(-c2ccccc2)c1C(N)=O c1ccc(cc1)[*:1] CCOC(=O)/C(C#N)=C/Nc1sc(C)c(c1C(N)=O)[*:1]
Fc1ccccc1-c1n[nH]c(SCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)n1 Fc1ccccc1[*:1] FC(F)(F)c1cc(Cl)ccc1-n1nnnc1CSc1nc(n[nH]1)[*:1]
Fc1ccccc1-c1n[nH]c(SCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)n1 FC(F)(F)[*:1] Fc1ccccc1-c1n[nH]c(n1)SCc1nnnn1-c1ccc(Cl)cc1[*:1]
COc1ccc(NC(=O)C[NH2+]Cc2sccc2C)cc1 Cc1ccsc1[*:1] COc1ccc(cc1)NC(=O)C[NH2+]C[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)NCc1ccc(cc1)C[NH+]1CCCC1)[*:1]
C[C@@H](C(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1ccccc1 O=C([O-])[*:1] C[C@@H](C(=O)[C@H](C)[C@@H](C)[*:1])c1ccccc1
CS[C@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)NNC(=O)[*:1]
CC(C)n1nccc1C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 c1cc(ccn1)[*:1] CC(C)n1nccc1C(=O)N1CCC(CC1)c1noc(n1)[*:1]
CC(C)n1nccc1C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 CC(C)[*:1] O=C(c1ccnn1[*:1])N1CCC(CC1)c1noc(n1)-c1ccncc1
CC(C)n1nccc1C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 CC(C)n1nccc1[*:1] O=C(N1CCC(CC1)c1noc(n1)-c1ccncc1)[*:1]
COc1ccccc1[C@@H](CNC(=O)NC[C@@]1(O)CCCc2ccccc21)[NH+](C)C COc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)NC[C@@]1(O)CCCc2ccccc21)[*:1]
O=C(NC[C@H](O)COCC1CC1)NC1CCCCCC1 C1CC1CO[*:1] O=C(NC[C@H](O)C[*:1])NC1CCCCCC1
O=C(NC[C@H](O)COCC1CC1)NC1CCCCCC1 C1CC1[*:1] O=C(NC[C@H](O)COC[*:1])NC1CCCCCC1
O=C(NC[C@H](O)COCC1CC1)NC1CCCCCC1 C1CC1C[*:1] O=C(NC[C@H](O)CO[*:1])NC1CCCCCC1
O=C(NC[C@H](O)COCC1CC1)NC1CCCCCC1 C1CC1COC[*:1] O=C(NC[C@H](O)[*:1])NC1CCCCCC1
O=C(COc1ccccc1Cl)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 Clc1ccccc1[*:1] O=C(CO[*:1])N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
O=C(COc1ccccc1Cl)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 Clc1ccccc1O[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
O=C(COc1ccccc1Cl)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccccc1Cl)N1CCN(CC1)S(=O)(=O)C=C[*:1]
O=C(COc1ccccc1Cl)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(COc1ccccc1Cl)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(COc1ccccc1Cl)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 Clc1ccccc1OC[*:1] O=C(N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1)[*:1]
Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cn1 O=[N+]([O-])[*:1] Cc1ccc(cn1)C(=O)N/N=C\c1ccc(o1)-c1ccc(cc1C)[*:1]
Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cn1 Cc1ccc(cn1)[*:1] Cc1cc(ccc1-c1ccc(/C=N\NC(=O)[*:1])o1)[N+](=O)[O-]
C[C@@H](NCc1ccc(F)cc1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NCc1ccc(F)cc1)C(=O)NC[*:1]
C[C@@H](NCc1ccc(F)cc1)C(=O)NCc1ccccc1 Fc1ccc(cc1)[*:1] C[C@@H](NC[*:1])C(=O)NCc1ccccc1
C[C@@H](NCc1ccc(F)cc1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](NCc1ccc(F)cc1)C(=O)N[*:1]
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCc1ccc[nH]1 CS(=O)(=O)N[*:1] CC(C)(C)[C@H](C(=O)NCCc1ccc[nH]1)[*:1]
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCc1ccc[nH]1 CC(C)(C)[*:1] CS(=O)(=O)N[C@H](C(=O)NCCc1ccc[nH]1)[*:1]
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCc1ccc[nH]1 c1c[nH]c(c1)C[*:1] CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[*:1]
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCc1ccc[nH]1 c1c[nH]c(c1)[*:1] CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCC[*:1]
C=CCn1c(SCc2ccc3nonc3c2)nnc1-c1cccnc1 C=CC[*:1] c1cncc(c1)-c1nnc(SCc2ccc3nonc3c2)n1[*:1]
C=CCn1c(SCc2ccc3nonc3c2)nnc1-c1cccnc1 c1cncc(c1)[*:1] C=CCn1c(nnc1[*:1])SCc1ccc2nonc2c1
COc1cc(C)c(C(=O)N(C)[C@H](C)c2ccccc2OC)cc1OC COc1ccccc1[*:1] COc1cc(C)c(cc1OC)C(=O)N(C)[C@H](C)[*:1]
c1ccc(Nc2nc(Nc3ccccc3)n3cnnc3n2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)Nc1nc(N[*:1])n2cnnc2n1
c1ccc(Nc2nc(Nc3ccccc3)n3cnnc3n2)cc1 c1ccc(cc1)N[*:1] c1ccc(cc1)Nc1nc(nc2nncn12)[*:1]
c1ccc(Nc2nc(Nc3ccccc3)n3cnnc3n2)cc1 c1ccc(cc1)N[*:1] c1ccc(cc1)Nc1nc(n2cnnc2n1)[*:1]
c1ccc(Nc2nc(Nc3ccccc3)n3cnnc3n2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)Nc1nc(nc2nncn12)N[*:1]
O=C(NCCCO)c1nc2ccccc2c(=O)[nH]1 OCCC[*:1] O=C(N[*:1])c1nc2ccccc2c(=O)[nH]1
O=C(NCCCO)c1nc2ccccc2c(=O)[nH]1 OCC[*:1] O=C(NC[*:1])c1nc2ccccc2c(=O)[nH]1
Cc1nc(C)c(C(=O)Nc2ccc(OCC(F)(F)F)nc2)s1 FC(F)(F)CO[*:1] Cc1nc(C)c(s1)C(=O)Nc1ccc(nc1)[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(OCC(F)(F)F)nc2)s1 FC(F)(F)[*:1] Cc1nc(C)c(s1)C(=O)Nc1ccc(nc1)OC[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(OCC(F)(F)F)nc2)s1 Cc1nc(C)c(s1)[*:1] O=C(Nc1ccc(nc1)OCC(F)(F)F)[*:1]
Cc1nc(C)c(C(=O)Nc2ccc(OCC(F)(F)F)nc2)s1 FC(F)(F)C[*:1] Cc1nc(C)c(s1)C(=O)Nc1ccc(nc1)O[*:1]
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccs3)cc21 O=C(N[*:1])c1cccs1 CC(C)CN1C(=O)C(C)(C)COc2ccc(cc21)[*:1]
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccs3)cc21 CC(C)[*:1] CC1(C)COc2ccc(cc2N(C[*:1])C1=O)NC(=O)c1cccs1
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccs3)cc21 c1csc(c1)[*:1] CC(C)CN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)[*:1]
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccs3)cc21 CC(C)C[*:1] CC1(C)COc2ccc(cc2N(C1=O)[*:1])NC(=O)c1cccs1
CC1(C)CN(CCOc2ccccc2)CC[S@]1=O c1ccc(cc1)[*:1] CC1(C)CN(CCO[*:1])CC[S@]1=O
Cc1ccccc1NC(=O)NNC(=O)/C=C\c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1ccccc1NC(=O)NNC(=O)C=C[*:1]
Cc1ccccc1NC(=O)NNC(=O)/C=C\c1cccc(Cl)c1 Cc1ccccc1[*:1] O=C(/C=C\c1cccc(Cl)c1)NNC(=O)N[*:1]
CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2s1 Clc1cccc(c1)[*:1] CCS(=O)(=O)c1nc2ccc(cc2s1)[N-]S(=O)(=O)[*:1]
CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2s1 CCS(=O)(=O)[*:1] O=S(=O)([N-]c1ccc2nc(sc2c1)[*:1])c1cccc(Cl)c1
CCCC(=O)NC[C@H]1CCCN(C(=O)NCC(C)(C)c2ccncc2)C1 c1cc(ccn1)[*:1] CCCC(=O)NC[C@H]1CCCN(C1)C(=O)NCC(C)(C)[*:1]
CCCC(=O)NC[C@H]1CCCN(C(=O)NCC(C)(C)c2ccncc2)C1 CCCC(=O)N[*:1] CC(C)(CNC(=O)N1CCC[C@@H](C1)C[*:1])c1ccncc1
CCCC(=O)NC[C@H]1CCCN(C(=O)NCC(C)(C)c2ccncc2)C1 CCCC(=O)NC[*:1] CC(C)(CNC(=O)N1CCC[C@@H](C1)[*:1])c1ccncc1
CCCC(=O)NC[C@H]1CCCN(C(=O)NCC(C)(C)c2ccncc2)C1 CCC[*:1] CC(C)(CNC(=O)N1CCC[C@H](CNC(=O)[*:1])C1)c1ccncc1
O=C(Nc1nc2c(s1)CCC2)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 C1Cc2nc(sc2C1)[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc(Cl)cc1
O=C(Nc1nc2c(s1)CCC2)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1nc2CCCc2s1)c1ccc(cc1)NS(=O)(=O)[*:1]
C[C@](CO)(NC(=O)c1ccccc1O)C1CC1 C1CC1[*:1] C[C@](CO)(NC(=O)c1ccccc1O)[*:1]
[NH3+]CCn1ncc2ccccc2c1=O [NH3+]CC[*:1] O=c1c2ccccc2cnn1[*:1]
N#Cc1ccc(CNc2ccccc2C(=O)N2CCOCC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(c1ccccc1NC[*:1])N1CCOCC1
N#Cc1ccc(CNc2ccccc2C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] N#Cc1ccc(cc1)CNc1ccccc1[*:1]
COC(C)(C)CNC(=O)NCc1ccc(Br)s1 COC(C)(C)[*:1] O=C(NCc1ccc(Br)s1)NC[*:1]
Cc1ncsc1CNC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 Cc1ncsc1C[*:1] O=C(Nc1cccc(c1)N1CCCCCC1)C(=O)N[*:1]
Cc1ncsc1CNC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 C1CCCN(CC1)[*:1] Cc1ncsc1CNC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ncsc1CNC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 Cc1ncsc1[*:1] O=C(NC[*:1])C(=O)Nc1cccc(c1)N1CCCCCC1
Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(CN1C(=O)N[C@@](C1=O)(c1ccccc1)[*:1])N[C@H]1CCS(=O)(=O)C1
Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)[C@]1(NC(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O)[*:1]
CNC(=O)c1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cn1 CNC(=O)[*:1] O=C(c1ccc(nc1)[*:1])N1CCN(CC1)[C@@H]1CCC[C@@H]1O
O[C@@]1(C[NH2+][C@H]2CCCc3ccc(Br)cc32)CCOC1 O[C@]1(CCOC1)[*:1] Brc1ccc2CCC[C@H]([NH2+]C[*:1])c2c1
CN(C)C(=O)C1CCN(C(=O)/C=C/C2CC2)CC1 C1CC1[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)C=C[*:1]
CN(C)C(=O)C1CCN(C(=O)/C=C/C2CC2)CC1 CN(C)C(=O)[*:1] O=C(/C=C/C1CC1)N1CCC(CC1)[*:1]
CN(C)C(=O)C1CCN(C(=O)/C=C/C2CC2)CC1 C(=C[*:1])C1CC1 CN(C)C(=O)C1CCN(CC1)C(=O)[*:1]
COc1ccc2c(c1)c(CC(=O)N(Cc1ccncc1)C1CC1)c(C)n2C(=O)c1ccc(Cl)cc1 c1cc(ccn1)C[*:1] COc1ccc2c(c1)c(CC(=O)N(C1CC1)[*:1])c(C)n2C(=O)c1ccc(Cl)cc1
COc1ccc2c(c1)c(CC(=O)N(Cc1ccncc1)C1CC1)c(C)n2C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc2c(c1)c(CC(=O)N(Cc1ccncc1)C1CC1)c(C)n2C(=O)[*:1]
COc1ccc2c(c1)c(CC(=O)N(Cc1ccncc1)C1CC1)c(C)n2C(=O)c1ccc(Cl)cc1 C1CC1[*:1] COc1ccc2c(c1)c(CC(=O)N(Cc1ccncc1)[*:1])c(C)n2C(=O)c1ccc(Cl)cc1
COc1ccc2c(c1)c(CC(=O)N(Cc1ccncc1)C1CC1)c(C)n2C(=O)c1ccc(Cl)cc1 c1cc(ccn1)[*:1] COc1ccc2c(c1)c(CC(=O)N(C[*:1])C1CC1)c(C)n2C(=O)c1ccc(Cl)cc1
CCc1n[nH]c([C@@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)n1 CCc1n[nH]c(n1)[*:1] NC(=O)c1cccc(c1)CN1CCO[C@@H](C1)[*:1]
CCc1n[nH]c([C@@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)n1 NC(=O)[*:1] CCc1n[nH]c(n1)[C@@H]1CN(CCO1)Cc1cccc(c1)[*:1]
Cc1nc(CNC(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)oc1C c1ccc(cc1)[*:1] Cc1nc(CNC(=O)N2CC[C@@H]([C@H](C)C2)[*:1])oc1C
Cc1nc(CNC(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)oc1C Cc1nc(oc1C)[*:1] C[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)NC[*:1]
Cc1nc(CNC(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)oc1C Cc1nc(C[*:1])oc1C C[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)N[*:1]
C=CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] C=CCNC(=O)[*:1] O=Cc1ccc(OC[*:1])c(c1)[N+](=O)[O-]
C=CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C=CCNC(=O)COc1ccc(C=O)cc1[*:1]
C=CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] C=CC[*:1] O=Cc1ccc(OCC(=O)N[*:1])c(c1)[N+](=O)[O-]
CC(C)Oc1cccc([C@H](C)Nc2cc(-n3ccnc3)ncn2)c1 CC(C)O[*:1] C[C@H](Nc1cc(ncn1)-n1ccnc1)c1cccc(c1)[*:1]
CC(C)Oc1cccc([C@H](C)Nc2cc(-n3ccnc3)ncn2)c1 CC(C)[*:1] C[C@H](Nc1cc(ncn1)-n1ccnc1)c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@H](C)Nc2cc(-n3ccnc3)ncn2)c1 c1cn(cn1)[*:1] CC(C)Oc1cccc(c1)[C@H](C)Nc1cc(ncn1)[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(-n2nc([O-])ccc2=O)c1 CC(C)[*:1] CC(C)c1cccc(c1NC(=O)c1cccc(c1)-n1nc([O-])ccc1=O)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1C(=O)N[*:1]
CCc1c(C(N)=O)cnn1-c1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1 NC(=O)[*:1] CCc1c(cnn1-c1ccc(cc1)NC(=O)c1sc2cc(F)ccc2c1Cl)[*:1]
CCc1c(C(N)=O)cnn1-c1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1 CCc1c(cnn1[*:1])C(N)=O O=C(Nc1ccc(cc1)[*:1])c1sc2cc(F)ccc2c1Cl
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C[*:1]
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)Cc1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])NNC(=O)Cc1ccc(Cl)cc1
CCSc1ccc(Cl)cc1C(=O)Nc1cc(C)ccc1OC CCS[*:1] COc1ccc(C)cc1NC(=O)c1cc(Cl)ccc1[*:1]
Cc1ccc(CNC(=O)NCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 CC(C)[*:1] Cc1ccc(cc1)CNC(=O)NCC(=O)Nc1cnc2c(cnn2[*:1])c1
Cc1ccc(CNC(=O)NCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 Cc1ccc(cc1)C[*:1] CC(C)n1ncc2cc(cnc21)NC(=O)CNC(=O)N[*:1]
Cc1ccc(CNC(=O)NCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 Cc1ccc(cc1)[*:1] CC(C)n1ncc2cc(cnc21)NC(=O)CNC(=O)NC[*:1]
COc1ccccc1CNC(=O)N(C)Cc1cc(Br)ccc1OC COc1ccccc1[*:1] COc1ccc(Br)cc1CN(C)C(=O)NC[*:1]
CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccncc2)c2nc3cc(OC)ccc3s2)c1 c1cc(ccn1)[*:1] CCS(=O)(=O)c1cccc(c1)C(=O)N(C[*:1])c1nc2cc(ccc2s1)OC
CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccncc2)c2nc3cc(OC)ccc3s2)c1 c1cc(ccn1)C[*:1] CCS(=O)(=O)c1cccc(c1)C(=O)N(c1nc2cc(ccc2s1)OC)[*:1]
CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccncc2)c2nc3cc(OC)ccc3s2)c1 CCS(=O)(=O)[*:1] COc1ccc2sc(nc2c1)N(Cc1ccncc1)C(=O)c1cccc(c1)[*:1]
Cn1c(N)c(C(=O)COC(=O)c2c(Cl)cccc2Cl)c(=O)n(C)c1=O Clc1cccc(Cl)c1[*:1] Cn1c(N)c(C(=O)COC(=O)[*:1])c(=O)n(C)c1=O
Cc1ccc(S(=O)(=O)c2cn(Cc3cccc(C)c3)c3cc(N4CCCC4)c(F)cc3c2=O)cc1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1)S(=O)(=O)c1cn(c2cc(c(F)cc2c1=O)N1CCCC1)[*:1]
Cc1ccc(S(=O)(=O)c2cn(Cc3cccc(C)c3)c3cc(N4CCCC4)c(F)cc3c2=O)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1cn(Cc2cccc(C)c2)c2cc(c(F)cc2c1=O)[*:1]
Cc1ccc(S(=O)(=O)c2cn(Cc3cccc(C)c3)c3cc(N4CCCC4)c(F)cc3c2=O)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1cn(C[*:1])c2cc(c(F)cc2c1=O)N1CCCC1
Cc1ccc(S(=O)(=O)c2cn(Cc3cccc(C)c3)c3cc(N4CCCC4)c(F)cc3c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)Cn1cc(c(=O)c2cc(F)c(cc21)N1CCCC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)c2cn(Cc3cccc(C)c3)c3cc(N4CCCC4)c(F)cc3c2=O)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] Cc1cccc(c1)Cn1cc(c(=O)c2cc(F)c(cc21)N1CCCC1)[*:1]
O=C(CC1CCCC1)NCC[NH+]1CCC(c2ccsc2)CC1 C1CCC(C1)[*:1] O=C(C[*:1])NCC[NH+]1CCC(CC1)c1ccsc1
O=C(CC1CCCC1)NCC[NH+]1CCC(c2ccsc2)CC1 c1cc(cs1)[*:1] O=C(CC1CCCC1)NCC[NH+]1CCC(CC1)[*:1]
O=C(CC1CCCC1)NCC[NH+]1CCC(c2ccsc2)CC1 C1CCC(C1)C[*:1] O=C(NCC[NH+]1CCC(CC1)c1ccsc1)[*:1]
COc1ccc(C(=O)Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)C(=O)Cn1nc(c2sc(nc2c1=O)N1CCOCC1)[*:1]
COc1ccc(C(=O)Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)cc1OC C1CN(CCO1)[*:1] COc1ccc(cc1OC)C(=O)Cn1nc(-c2ccco2)c2sc(nc2c1=O)[*:1]
COc1ccc(C(=O)Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)cc1OC COc1ccc(cc1OC)[*:1] O=C(Cn1nc(-c2ccco2)c2sc(nc2c1=O)N1CCOCC1)[*:1]
O=[N+]([O-])c1ccc(OCc2ccc(O)cc2)c(CBr)c1 O=[N+]([O-])[*:1] Oc1ccc(cc1)COc1ccc(cc1CBr)[*:1]
Cc1cc(C)c(NC(=O)CCOc2ccc(Cl)cc2)c(Cl)n1 Clc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CCO[*:1])c(Cl)n1
CC(C)[C@H](CNC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1cccnc1 CC(C)(C)[*:1] CC(C)[C@H](CNC(=O)C=C1CN(C1)C(=O)O[*:1])c1cccnc1
CC(C)[C@H](CNC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H](CNC(=O)C=C1CN(C1)C(=O)OC(C)(C)C)[*:1]
CC(C)[C@H](CNC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1cccnc1 CC(C)[*:1] CC(C)(C)OC(=O)N1CC(=CC(=O)NC[C@H](c2cccnc2)[*:1])C1
Cc1ccc(S[C@@H]2CSc3nc(C)cc(=O)n3[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S[C@@H]1CSc2nc(C)cc(=O)n2[C@H]1[*:1]
Cc1ccc(S[C@@H]2CSc3nc(C)cc(=O)n3[C@@H]2c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(=O)n2c(n1)SC[C@@H](S[*:1])[C@H]2c1ccccc1
Cc1ccc(S[C@@H]2CSc3nc(C)cc(=O)n3[C@@H]2c2ccccc2)cc1 Cc1ccc(cc1)S[*:1] Cc1cc(=O)n2c(n1)SC[C@H]([C@H]2c1ccccc1)[*:1]
C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cn[nH]c1 C[C@@H](O)[*:1] O=C(c1cn[nH]c1)N1CCC[C@H]1C[*:1]
C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cn[nH]c1 c1n[nH]cc1[*:1] C[C@@H](O)C[C@@H]1CCCN1C(=O)[*:1]
C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cn[nH]c1 C[C@@H](O)C[*:1] O=C(c1cn[nH]c1)N1CCC[C@H]1[*:1]
Cc1cc(C)c(NC(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1cccn1
Cc1cc(C)c(NC(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)c(C)c1 c1cnn(c1)[*:1] Cc1cc(C)c(NC(=O)[C@H]2CCCN(C2)c2ccc(nn2)[*:1])c(C)c1
Cc1csc([C@H](C#N)C(=O)Cn2cnc(C3CCC3)cc2=O)n1 C1CC(C1)[*:1] Cc1csc(n1)[C@H](C#N)C(=O)Cn1cnc(cc1=O)[*:1]
Cc1csc([C@H](C#N)C(=O)Cn2cnc(C3CCC3)cc2=O)n1 Cc1csc(n1)[*:1] N#C[C@H](C(=O)Cn1cnc(cc1=O)C1CCC1)[*:1]
O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(Cc1cccc(c1)OCC(F)(F)F)N1CCOC[C@@H]1[*:1]
O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCOC[C@H]1C1CC1 FC(F)(F)CO[*:1] O=C(Cc1cccc(c1)[*:1])N1CCOC[C@H]1C1CC1
O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCOC[C@H]1C1CC1 FC(F)(F)[*:1] O=C(Cc1cccc(c1)OC[*:1])N1CCOC[C@H]1C1CC1
O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCOC[C@H]1C1CC1 FC(F)(F)C[*:1] O=C(Cc1cccc(c1)O[*:1])N1CCOC[C@H]1C1CC1
CCOC(=O)C1(C)CCN(C(=O)N[C@H](C)c2ccco2)CC1 c1coc(c1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)N[C@H](C)[*:1]
CCOC(=O)C1(C)CCN(C(=O)N[C@H](C)c2ccco2)CC1 CCOC(=O)[*:1] C[C@@H](NC(=O)N1CCC(C)(CC1)[*:1])c1ccco1
CCOC(=O)C1(C)CCN(C(=O)N[C@H](C)c2ccco2)CC1 C[C@H](c1ccco1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)N[*:1]
CCCc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCCc1c([nH]c(C)c1[*:1])C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
CCCc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[nH]c(C)c1C(C)=O FC(F)(F)[*:1] CCCc1c([nH]c(C)c1C(C)=O)C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
CCCc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[nH]c(C)c1C(C)=O O=[N+]([O-])[*:1] CCCc1c([nH]c(C)c1C(C)=O)C(=O)N1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
CCCc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[nH]c(C)c1C(C)=O CCC[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC2)c2ccc(cc2[N+](=O)[O-])C(F)(F)F)c1[*:1]
COC(=O)C1(N(C)CC[NH+](C)C)CCCCC1 COC(=O)[*:1] CN(CC[NH+](C)C)C1(CCCCC1)[*:1]
Cc1cc(C(=O)NCCO[C@H]2CCCC[C@H]2C)on1 Cc1cc(on1)[*:1] C[C@@H]1CCCC[C@@H]1OCCNC(=O)[*:1]
COC(=O)CCC[C@@H]([NH3+])c1cc(C)c(Br)s1 COC(=O)[*:1] Cc1cc(sc1Br)[C@H]([NH3+])CCC[*:1]
COC(=O)CCC[C@@H]([NH3+])c1cc(C)c(Br)s1 COC(=O)C[*:1] Cc1cc(sc1Br)[C@H]([NH3+])CC[*:1]
CC(C)n1ncc2c(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)cc(C3CC3)nc21 C1CC1[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)Nc1ccc(Cl)c(c1)C(=O)NC1CCCCC1
CC(C)n1ncc2c(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)cc(C3CC3)nc21 CC(C)[*:1] O=C(NC1CCCCC1)c1cc(ccc1Cl)NC(=O)c1cc(nc2c1cnn2[*:1])C1CC1
CC(C)n1ncc2c(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)cc(C3CC3)nc21 O=C(NC1CCCCC1)[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(C)n1ncc2c(C(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)cc(C3CC3)nc21 C1CCC(CC1)[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)Nc1ccc(Cl)c(c1)C(=O)N[*:1]
Cc1ccc([C@H](C)NC(=O)c2cnn(-c3ccncc3)c2C)cc1F c1cc(ccn1)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)c1cnn(c1C)[*:1]
Cc1ccc([C@H](C)NC(=O)c2cnn(-c3ccncc3)c2C)cc1F Cc1ccc(cc1F)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N[C@@H](C)[*:1]
CCC[NH2+][C@@H](Cc1c(C)cc(C)cc1C)[C@@H](C)OC CO[C@H](C)[*:1] CCC[NH2+][C@@H](Cc1c(C)cc(C)cc1C)[*:1]
CCC[NH2+][C@@H](Cc1c(C)cc(C)cc1C)[C@@H](C)OC CCC[*:1] CO[C@H](C)[C@H](Cc1c(C)cc(C)cc1C)[NH2+][*:1]
Cc1c(Cl)cccc1NC(=O)N1CCN(CCn2c(C(F)(F)F)nc3cccnc32)CC1 Cc1c(Cl)cccc1[*:1] O=C(N[*:1])N1CCN(CC1)CCn1c(nc2cccnc21)C(F)(F)F
Cc1c(Cl)cccc1NC(=O)N1CCN(CCn2c(C(F)(F)F)nc3cccnc32)CC1 FC(F)(F)[*:1] Cc1c(Cl)cccc1NC(=O)N1CCN(CC1)CCn1c(nc2cccnc21)[*:1]
Cc1nccn1-c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cn1 Cc1nccn1[*:1] O=C(Nc1ccc(nc1)[*:1])c1cc(=O)c2ccccc2o1
Cc1noc(C)c1CCCNC(=O)C[C@H]1CCc2ccccc21 Cc1noc(C)c1[*:1] O=C(C[C@H]1CCc2ccccc21)NCCC[*:1]
Cc1ccc2nc(SCC(=O)OC(C)C)c(C#N)cc2c1 CC(C)[*:1] Cc1ccc2nc(SCC(=O)O[*:1])c(C#N)cc2c1
Cc1ccc2nc(SCC(=O)OC(C)C)c(C#N)cc2c1 CC(C)OC(=O)C[*:1] Cc1ccc2nc(S[*:1])c(C#N)cc2c1
Cc1ccc2nc(SCC(=O)OC(C)C)c(C#N)cc2c1 CC(C)OC(=O)[*:1] Cc1ccc2nc(SC[*:1])c(C#N)cc2c1
CN(C)C(=O)C[NH2+]Cc1ccc(F)cc1Br CN(C)C(=O)[*:1] Fc1ccc(C[NH2+]C[*:1])c(Br)c1
Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1-c1ccccc1 FC(F)(F)[*:1] Cc1nnc(SCC(=O)Nc2cccc(c2)[*:1])n1-c1ccccc1
Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(SCC(=O)Nc2cccc(c2)C(F)(F)F)n1[*:1]
C[C@@H](Sc1ccccn1)C(=O)NC[C@H](C)c1ccccc1 c1ccc(nc1)S[*:1] C[C@@H](CNC(=O)[C@H](C)[*:1])c1ccccc1
C[C@@H](Sc1ccccn1)C(=O)NC[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1ccccn1)C(=O)NC[C@H](C)[*:1]
C[C@@H](Sc1ccccn1)C(=O)NC[C@H](C)c1ccccc1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)NC[C@H](C)c1ccccc1
O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(O)c(c1)-c1nc2ccccc2o1)[*:1]
CCCCN(C(=O)[C@@H](C)NC(=O)c1ccco1)c1ccccc1 CCCC[*:1] C[C@@H](NC(=O)c1ccco1)C(=O)N(c1ccccc1)[*:1]
CCCCN(C(=O)[C@@H](C)NC(=O)c1ccco1)c1ccccc1 c1coc(c1)[*:1] CCCCN(C(=O)[C@@H](C)NC(=O)[*:1])c1ccccc1
CCCCN(C(=O)[C@@H](C)NC(=O)c1ccco1)c1ccccc1 CCC[*:1] C[C@@H](NC(=O)c1ccco1)C(=O)N(C[*:1])c1ccccc1
CCCCN(C(=O)[C@@H](C)NC(=O)c1ccco1)c1ccccc1 c1ccc(cc1)[*:1] CCCCN(C(=O)[C@@H](C)NC(=O)c1ccco1)[*:1]
CC(=O)Nc1cc(C(=O)NC[C@](C)(O)c2ccc(F)cc2)ccc1C Fc1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1C)C(=O)NC[C@](C)(O)[*:1]
CC(=O)Nc1cc(C(=O)NC[C@](C)(O)c2ccc(F)cc2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)NC[C@](C)(O)c1ccc(F)cc1
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc2c1CCCC2 c1ccc(cc1)[*:1] CCOC(=O)c1c(N/C=C(/C#N)c2nc(cs2)[*:1])sc2CCCCc21
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc2c1CCCC2 CCOC(=O)[*:1] N#C/C(=C/Nc1sc2CCCCc2c1[*:1])c1nc(cs1)-c1ccccc1
COc1ccc(C)cc1NC(=O)CSC1=NN[C@H]([C@H]2N=NC3=C2CCC3)N1N COc1ccc(C)cc1[*:1] NN1C(=NN[C@@H]1[C@H]1N=NC2CCCC=21)SCC(=O)N[*:1]
O=C(NCc1csc(Cc2ccccc2)n1)c1cn(C[C@H]2CCCO2)nn1 c1ccc(cc1)[*:1] O=C(NCc1csc(C[*:1])n1)c1cn(C[C@H]2CCCO2)nn1
O=C(NCc1csc(Cc2ccccc2)n1)c1cn(C[C@H]2CCCO2)nn1 c1ccc(cc1)C[*:1] O=C(NCc1csc(n1)[*:1])c1cn(C[C@H]2CCCO2)nn1
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC1CC1 O=C(NC1CC1)N[*:1] Cc1nn(-c2ccccc2)c(C)c1C[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC1CC1 C1CC1[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC1CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)NC1CC1)[*:1]
Cc1nc2ccccc2n(Cc2ccc(C(=O)NCc3cccs3)cc2)c1=O O=C(NCc1cccs1)[*:1] Cc1nc2ccccc2n(Cc2ccc(cc2)[*:1])c1=O
Cc1nc2ccccc2n(Cc2ccc(C(=O)NCc3cccs3)cc2)c1=O c1csc(c1)[*:1] Cc1nc2ccccc2n(Cc2ccc(cc2)C(=O)NC[*:1])c1=O
Cc1nc2ccccc2n(Cc2ccc(C(=O)NCc3cccs3)cc2)c1=O c1csc(c1)C[*:1] Cc1nc2ccccc2n(Cc2ccc(cc2)C(=O)N[*:1])c1=O
C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H](N[C@H]1CCN(C1=O)c1cnn(C)c1)c1cccc(c1)[*:1]
C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2ccccc2)c1 Cn1cc(cn1)[*:1] C[C@@H](N[C@H]1CCN(C1=O)[*:1])c1cccc(c1)-c1ccccc1
CCCc1cc([C@H]2CCCN2C(=O)Nc2ccccc2OCC)no1 CCCc1cc(no1)[*:1] CCOc1ccccc1NC(=O)N1CCC[C@@H]1[*:1]
CCCc1cc([C@H]2CCCN2C(=O)Nc2ccccc2OCC)no1 CCO[*:1] CCCc1cc(no1)[C@H]1CCCN1C(=O)Nc1ccccc1[*:1]
CCCc1cc([C@H]2CCCN2C(=O)Nc2ccccc2OCC)no1 CCC[*:1] CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(on1)[*:1]
NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] NC(=O)NC(=O)CSc1nc(c(-c2ccccc2)n1-c1ccccc1)[*:1]
NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 NC(=O)NC(=O)CS[*:1] c1ccc(cc1)-c1nc(n(-c2ccccc2)c1-c1ccccc1)[*:1]
NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(n1-c1ccccc1)[*:1]
NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1[*:1]
NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 NC(=O)NC(=O)[*:1] c1ccc(cc1)-c1nc(SC[*:1])n(-c2ccccc2)c1-c1ccccc1
NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 NC(=O)NC(=O)C[*:1] c1ccc(cc1)-c1nc(S[*:1])n(-c2ccccc2)c1-c1ccccc1
COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)cc1 COc1ccc(cc1)[*:1] C[C@@H](N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(cc2)OC(F)(F)F)[C@@H]3C1=O)[*:1]
COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)cc1 COc1ccc(cc1)[C@@H](C)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)cc1 FC(F)(F)Oc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N[*:1])[C@@H]3C1=O
COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)cc1 FC(F)(F)O[*:1] COc1ccc(cc1)[C@@H](C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(cc2)[*:1])[C@@H]3C1=O
COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@@H](C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(cc2)O[*:1])[C@@H]3C1=O
CC(C)(C)[NH2+]CCCOc1ccc(Br)cc1Cl CC(C)(C)[*:1] Clc1cc(Br)ccc1OCCC[NH2+][*:1]
CCN(C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)[C@@H](C)CCO OCC[*:1] CCN(C(=O)c1csc2nc(cn12)-c1ccc(cc1)C(F)(F)F)[C@@H](C)[*:1]
CCN(C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)[C@@H](C)CCO FC(F)(F)[*:1] CCN(C(=O)c1csc2nc(cn12)-c1ccc(cc1)[*:1])[C@@H](C)CCO
COCCNC(=O)CCC(=O)c1cccs1 COCC[*:1] O=C(CCC(=O)c1cccs1)N[*:1]
COCCNC(=O)CCC(=O)c1cccs1 c1csc(c1)[*:1] COCCNC(=O)CCC(=O)[*:1]
COCCNC(=O)CCC(=O)c1cccs1 COC[*:1] O=C(CCC(=O)c1cccs1)NC[*:1]
CC1=C(C(=O)COC(=O)c2ccc[nH]c2=O)C[C@H](C)N1c1ccccc1 c1ccc(cc1)[*:1] CC1=C(C[C@H](C)N1[*:1])C(=O)COC(=O)c1ccc[nH]c1=O
CC1=C(C(=O)COC(=O)c2ccc[nH]c2=O)C[C@H](C)N1c1ccccc1 O=c1[nH]cccc1[*:1] CC1=C(C[C@H](C)N1c1ccccc1)C(=O)COC(=O)[*:1]
C[C@H]([NH2+]CC1(C2CC2)CC1)c1ccc(F)cn1 C1CC1[*:1] C[C@H]([NH2+]CC1(CC1)[*:1])c1ccc(F)cn1
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCO OCC[*:1] CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[N+](C)(C)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCO CC(C)[*:1] C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C[N+](C)(C)CCO)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCO C[N+](C)(CCO)[*:1] CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[*:1]
CC(C)c1nnc2c3ccccc3nc(N3CCN(C(=O)C4CC4)[C@@H](C)C3)n12 CC(C)[*:1] C[C@H]1CN(CCN1C(=O)C1CC1)c1nc2ccccc2c2nnc(n12)[*:1]
CC(C)c1nnc2c3ccccc3nc(N3CCN(C(=O)C4CC4)[C@@H](C)C3)n12 C1CC1[*:1] CC(C)c1nnc2c3ccccc3nc(N3CCN(C(=O)[*:1])[C@@H](C)C3)n12
NS(=O)(=O)c1ccc(-n2ccc3c(cnc4ncnn43)c2=O)cc1 NS(=O)(=O)[*:1] O=c1c2cnc3ncnn3c2ccn1-c1ccc(cc1)[*:1]
CCCOC(=O)[C@@H](C)NC1(C(N)=O)CCCCC1 CCC[*:1] C[C@@H](NC1(CCCCC1)C(N)=O)C(=O)O[*:1]
CCCOC(=O)[C@@H](C)NC1(C(N)=O)CCCCC1 NC(=O)[*:1] CCCOC(=O)[C@@H](C)NC1(CCCCC1)[*:1]
CCCOC(=O)[C@@H](C)NC1(C(N)=O)CCCCC1 CCCOC(=O)[*:1] C[C@@H](NC1(CCCCC1)C(N)=O)[*:1]
Cc1cc(NC(=O)N(CCO)[C@H]2CCc3ccccc32)c2ncccc2c1 c1ccc2c(c1)CC[C@@H]2[*:1] Cc1cc(NC(=O)N(CCO)[*:1])c2ncccc2c1
Cc1cc(NC(=O)N(CCO)[C@H]2CCc3ccccc32)c2ncccc2c1 OCC[*:1] Cc1cc(NC(=O)N([C@H]2CCc3ccccc32)[*:1])c2ncccc2c1
C[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2nc(C)cs2)C1 NC(=O)[*:1] C[NH2+][C@]1(CC[C@H](C1)Sc1nc(C)cs1)[*:1]
C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](Sc1ccc(cn1)S(=O)(=O)N1CCCC1)C(=O)N[*:1]
C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1ccc(Br)cc1 O=S(=O)(N1CCCC1)[*:1] C[C@@H](Sc1ccc(cn1)[*:1])C(=O)Nc1ccc(Br)cc1
O=C(Nc1ccccc1-n1cccn1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 c1cnn(c1)[*:1] O=C(Nc1ccccc1[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
O=C(Nc1ccccc1-n1cccn1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1-n1cccn1)N1CCO[C@@H](C1)[*:1]
COc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C)CC2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCN(C)CC1
COc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C)CC2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)N[C@@H](C(=O)N1CCN(C)CC1)[*:1]
CCc1cnc(CCNC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)s1 CCc1cnc(s1)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NCC[*:1]
CCc1cnc(CCNC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)s1 CCc1cnc(C[*:1])s1 C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NC[*:1]
COc1ccc(CNS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2C)cc1 COc1ccc(cc1)C[*:1] Cc1cc(ccc1S(=O)(=O)N[*:1])N1C(=O)[C@@H](C)CS1(=O)=O
COc1ccc(CNS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(ccc1S(=O)(=O)NC[*:1])N1C(=O)[C@@H](C)CS1(=O)=O
CC(C)=CC(=O)CSc1cccc(Br)c1 CC(C)=C[*:1] O=C(CSc1cccc(Br)c1)[*:1]
CN(C)c1ccc(/C(N)=N/OCc2ccccc2F)cc1 Fc1ccccc1[*:1] CN(C)c1ccc(cc1)/C(N)=N/OC[*:1]
CN(C)c1ccc(/C(N)=N/OCc2ccccc2F)cc1 CN(C)[*:1] N/C(=N\OCc1ccccc1F)c1ccc(cc1)[*:1]
Cc1cccc(Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3c(C)c(C(=O)N(C)C)sc32)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1C)-n1c(=O)c2c(C)c(sc2n(C[*:1])c1=O)C(=O)N(C)C
Cc1cccc(Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3c(C)c(C(=O)N(C)C)sc32)c1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1C)-n1c(=O)c2c(C)c(sc2n(c1=O)[*:1])C(=O)N(C)C
Cc1cccc(Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3c(C)c(C(=O)N(C)C)sc32)c1 CN(C)C(=O)[*:1] Cc1cccc(c1)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2c(C)c(sc21)[*:1]
Cc1cccc(Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3c(C)c(C(=O)N(C)C)sc32)c1 Cc1ccc(cc1C)[*:1] Cc1cccc(c1)Cn1c(=O)n(c(=O)c2c(C)c(sc21)C(=O)N(C)C)[*:1]
O=C(Cn1cnc2sccc2c1=O)c1cnc(N2CCCCC2)s1 C1CCN(CC1)[*:1] O=C(Cn1cnc2sccc2c1=O)c1cnc(s1)[*:1]
CCCN1C(=O)c2ccccc2N[C@]1(CC)c1ccc(OC[C@@H]2CCCO2)cc1 CCC[*:1] CC[C@@]1(Nc2ccccc2C(=O)N1[*:1])c1ccc(cc1)OC[C@@H]1CCCO1
CCCN1C(=O)c2ccccc2N[C@]1(CC)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CCCN1C(=O)c2ccccc2N[C@]1(CC)c1ccc(cc1)OC[*:1]
CCCN1C(=O)c2ccccc2N[C@]1(CC)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] CCCN1C(=O)c2ccccc2N[C@]1(CC)c1ccc(cc1)O[*:1]
CCCN1C(=O)c2ccccc2N[C@]1(CC)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)CO[*:1] CCCN1C(=O)c2ccccc2N[C@]1(CC)c1ccc(cc1)[*:1]
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(Br)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(COC(=O)c1cc(ccc1F)[*:1])c1ccc(Br)cc1
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(Br)cc1 O=C(c1ccc(Br)cc1)[*:1] O=C(OC[*:1])c1cc(ccc1F)S(=O)(=O)N1CCOCC1
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])c1cc(ccc1F)S(=O)(=O)N1CCOCC1
COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CN(C)CCO1 COC[*:1] C[C@H]([NH2+][C@@H](Cc1ccccc1)[*:1])[C@H]1CN(C)CCO1
COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CN(C)CCO1 c1ccc(cc1)[*:1] COC[C@H](C[*:1])[NH2+][C@@H](C)[C@H]1CN(C)CCO1
COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CN(C)CCO1 c1ccc(cc1)C[*:1] COC[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)[*:1]
O=C(COc1ccccc1)NC(=S)Nc1cc(Br)c([O-])c(Br)c1 c1ccc(cc1)[*:1] O=C(CO[*:1])NC(=S)Nc1cc(Br)c([O-])c(Br)c1
O=C(COc1ccccc1)NC(=S)Nc1cc(Br)c([O-])c(Br)c1 c1ccc(cc1)O[*:1] O=C(C[*:1])NC(=S)Nc1cc(Br)c([O-])c(Br)c1
C[C@H](CC(=O)[O-])[NH2+][C@H](C)c1ccccc1 O=C([O-])[*:1] C[C@H](C[*:1])[NH2+][C@H](C)c1ccccc1
CN(C)S(=O)(=O)c1ccc(C[S@](=O)CC(=O)NC2CCCCC2)o1 CN(C)S(=O)(=O)[*:1] O=C(C[S@@](=O)Cc1ccc(o1)[*:1])NC1CCCCC1
CN(C)S(=O)(=O)c1ccc(C[S@](=O)CC(=O)NC2CCCCC2)o1 C1CCC(CC1)[*:1] CN(C)S(=O)(=O)c1ccc(C[S@](=O)CC(=O)N[*:1])o1
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(-n3cccc3)nc2)c1 c1ccn(c1)[*:1] Cc1ccc(C)c(c1)OCC(=O)NNC(=O)c1ccc(nc1)[*:1]
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(-n3cccc3)nc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CO[*:1])NNC(=O)c1ccc(nc1)-n1cccc1
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(-n3cccc3)nc2)c1 Cc1ccc(C)c(c1)O[*:1] O=C(C[*:1])NNC(=O)c1ccc(nc1)-n1cccc1
COc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)cc1 COc1ccc(cc1)[*:1] O=C1C[C@H](Cc2nc(ncc21)NC(=O)[*:1])c1ccco1
COc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C(=O)Nc1ncc2C(=O)C[C@@H](Cc2n1)[*:1]
C/C=C/CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)CC CC=C[*:1] CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)C[*:1]
C/C=C/CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)CC C/C=C/C[*:1] CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)[*:1]
C/C=C/CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)CC CC[C@H](C)[*:1] C/C=C/CS(=O)(=O)[C@@H](C)C(=O)N[*:1]
CCCN1CNC(=NS(=O)(=O)c2ccc(F)cc2)NC1 CCC[*:1] O=S(=O)(N=C1NCN(CN1)[*:1])c1ccc(F)cc1
Cc1nn(-c2ccccc2)c(C)c1CNCCc1nc(C(C)C)no1 CC(C)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNCCc1nc(no1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNCCc1nc(C(C)C)no1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNCCc1nc(no1)C(C)C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNCCc1nc(C(C)C)no1 CC(C)c1noc(n1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNCC[*:1]
COC(=O)c1cc(C)ccc1NC(=O)[C@@H]1CC[NH2+][C@H]1C COC(=O)[*:1] Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)c(c1)[*:1]
COc1ccccc1N1C(=S)N[C@@H]2c3ccccc3O[C@@]1(C)[C@H]2C(=O)N(C)C CN(C)C(=O)[*:1] COc1ccccc1N1C(=S)N[C@@H]2c3ccccc3O[C@@]1(C)[C@@H]2[*:1]
COc1ccccc1N1C(=S)N[C@@H]2c3ccccc3O[C@@]1(C)[C@H]2C(=O)N(C)C COc1ccccc1[*:1] CN(C)C(=O)[C@H]1[C@@H]2NC(=S)N([C@@]1(C)Oc1ccccc12)[*:1]
Cc1ccc2ncc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)n2c1 CS(=O)(=O)C[*:1] Cc1ccc2ncc(C(=O)NC3CC[NH+](CC3)C[*:1])n2c1
Cc1ccc2ncc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)n2c1 CS(=O)(=O)[*:1] Cc1ccc2ncc(C(=O)NC3CC[NH+](CC3)CC[*:1])n2c1
Cc1ccc2ncc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)n2c1 CS(=O)(=O)CC[*:1] Cc1ccc2ncc(C(=O)NC3CC[NH+](CC3)[*:1])n2c1
COc1cccc(CN2CCN(c3ccnc(OC)c3C#N)C[C@@H]2CCO)c1 OCC[*:1] COc1cccc(c1)CN1CCN(C[C@H]1[*:1])c1ccnc(OC)c1C#N
COc1cccc(CN2CCN(c3ccnc(OC)c3C#N)C[C@@H]2CCO)c1 COc1cccc(c1)C[*:1] COc1nccc(c1C#N)N1CCN([C@@H](CCO)C1)[*:1]
COc1cccc(CN2CCN(c3ccnc(OC)c3C#N)C[C@@H]2CCO)c1 COc1cccc(c1)[*:1] COc1nccc(c1C#N)N1CCN(C[*:1])[C@@H](CCO)C1
COc1ccccc1[C@@H](NC(=O)C1CCCCC1)c1noc(C)n1 COc1ccccc1[*:1] Cc1nc(no1)[C@H](NC(=O)C1CCCCC1)[*:1]
COc1ccccc1[C@@H](NC(=O)C1CCCCC1)c1noc(C)n1 C1CCC(CC1)[*:1] COc1ccccc1[C@@H](NC(=O)[*:1])c1noc(C)n1
COc1ccccc1[C@@H](NC(=O)C1CCCCC1)c1noc(C)n1 Cc1nc(no1)[*:1] COc1ccccc1[C@@H](NC(=O)C1CCCCC1)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2csc(C(C)C)n2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)N[C@@H](C)c2csc(n2)C(C)C)c(C)c1[*:1]
COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2csc(C(C)C)n2)c1C CC(C)c1nc(cs1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2csc(C(C)C)n2)c1C CC(C)[*:1] COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2csc(n2)[*:1])c1C
Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(=O)n(C)n2)s1 Cc1ccc(s1)[*:1] Cn1nc(ccc1=O)C(=O)N(CCc1ccccc1)C[*:1]
Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(=O)n(C)n2)s1 c1ccc(cc1)CC[*:1] Cc1ccc(CN(C(=O)c2ccc(=O)n(C)n2)[*:1])s1
Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(=O)n(C)n2)s1 c1ccc(cc1)[*:1] Cc1ccc(CN(CC[*:1])C(=O)c2ccc(=O)n(C)n2)s1
Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(=O)n(C)n2)s1 c1ccc(cc1)C[*:1] Cc1ccc(CN(C[*:1])C(=O)c2ccc(=O)n(C)n2)s1
Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(=O)n(C)n2)s1 Cc1ccc(C[*:1])s1 Cn1nc(ccc1=O)C(=O)N(CCc1ccccc1)[*:1]
Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(=O)n(C)n2)s1 Cn1nc(ccc1=O)[*:1] Cc1ccc(CN(CCc2ccccc2)C(=O)[*:1])s1
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 C[C@H]1C[C@H]1C(=O)N[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 C[C@H]1C[C@H]1[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)NC(=O)[*:1]
CSCC(=O)NNC(=O)N[C@@H](C)Cc1c(C)noc1C CSC[*:1] Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)[*:1]
CC(=O)Nc1cccc(OCCNC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 CC(=O)N[*:1] C[C@@H](NC(=O)NCCOc1cccc(c1)[*:1])c1ccc(Cl)c(Cl)c1
CC(=O)Nc1cccc(OCCNC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 Clc1ccc(cc1Cl)[*:1] CC(=O)Nc1cccc(c1)OCCNC(=O)N[C@H](C)[*:1]
Oc1cccc(CC2(c3ccccc3)C[NH2+]C2)c1 c1ccc(cc1)[*:1] Oc1cccc(c1)CC1(C[NH2+]C1)[*:1]
Cc1cccc2nc(CNC(=O)C(=O)Nc3cnc(C(C)(C)C)nc3)cn12 CC(C)(C)[*:1] Cc1cccc2nc(cn12)CNC(=O)C(=O)Nc1cnc(nc1)[*:1]
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)c3ccc(C)cc3)c2)n1 CCc1cc(=O)[nH]c(n1)[*:1] Cc1ccc(cc1)C(=O)C(=O)Nc1cccc(c1)[*:1]
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)c3ccc(C)cc3)c2)n1 Cc1ccc(cc1)[*:1] CCc1cc(=O)[nH]c(n1)-c1cccc(c1)NC(=O)C(=O)[*:1]
CCNS(=O)(=O)[C@H]1CCN(CN2Cc3ccc(F)cc3C2=O)C1 CCNS(=O)(=O)[*:1] O=C1c2cc(F)ccc2CN1CN1CC[C@@H](C1)[*:1]
CC[C@@H](CO)NC(=O)Nc1cc(F)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] CC[C@@H](CO)NC(=O)Nc1cc(F)ccc1[*:1]
CC[C@@H](CO)NC(=O)Nc1cc(F)ccc1OCC(F)(F)F CC[C@@H](CO)[*:1] O=C(Nc1cc(F)ccc1OCC(F)(F)F)N[*:1]
CC[C@@H](CO)NC(=O)Nc1cc(F)ccc1OCC(F)(F)F FC(F)(F)C[*:1] CC[C@@H](CO)NC(=O)Nc1cc(F)ccc1O[*:1]
CC[C@@H](CO)NC(=O)Nc1cc(F)ccc1OCC(F)(F)F FC(F)(F)[*:1] CC[C@@H](CO)NC(=O)Nc1cc(F)ccc1OC[*:1]
Cc1cc(C(=O)NC[C@@H](C)c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NC[C@@H](C)[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
Cc1cc(C(=O)NC[C@@H](C)c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 C[C@H](C[*:1])c1ccccc1 Cc1cc(C(=O)N[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
Cc1cc(C(=O)NC[C@@H](C)c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 C[C@@H](c1ccccc1)[*:1] Cc1cc(C(=O)NC[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
O=[N+]([O-])c1cccc2c1ccn2Cc1csc(C2CCCC2)n1 C1CCC(C1)[*:1] O=[N+]([O-])c1cccc2c1ccn2Cc1csc(n1)[*:1]
O=[N+]([O-])c1cccc2c1ccn2Cc1csc(C2CCCC2)n1 O=[N+]([O-])[*:1] c1cc(c2ccn(Cc3csc(n3)C3CCCC3)c2c1)[*:1]
Cc1ccc(S(=O)(=O)N[C@H](C[NH+](C)C)C(C)C)c(Br)c1 CC(C)[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)N[C@H](C[NH+](C)C)[*:1]
O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)CC[*:1] O=C(Cc1csc(n1)NC(=O)Nc1cccc(Cl)c1)N[*:1]
O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(Cc1csc(n1)NC(=O)Nc1cccc(Cl)c1)NC[*:1]
O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)Nc1cccc(Cl)c1)NCC[*:1]
O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCCc1ccc(Cl)cc1 Clc1cccc(c1)[*:1] O=C(Cc1csc(n1)NC(=O)N[*:1])NCCc1ccc(Cl)cc1
Cc1cc2nc(-c3cccc(NC(N)=S)c3)oc2c(Br)c1C NC(=S)N[*:1] Cc1cc2nc(oc2c(Br)c1C)-c1cccc(c1)[*:1]
Cc1cc(C)c(NC(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(F)cc2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CSc2nnc(C[NH+]3CCCCC3)n2[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(F)cc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)N[*:1]
CN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)Cc4ccccn4)CC3)cc2n1 CN(C)[*:1] O=C(Cc1ccccn1)N1CCC(CC1)c1cc2nc(ncc2c(=O)[nH]1)[*:1]
CN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)Cc4ccccn4)CC3)cc2n1 c1ccc(nc1)[*:1] CN(C)c1ncc2c(=O)[nH]c(cc2n1)C1CCN(CC1)C(=O)C[*:1]
CN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)Cc4ccccn4)CC3)cc2n1 c1ccc(C[*:1])nc1 CN(C)c1ncc2c(=O)[nH]c(cc2n1)C1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N[C@@H]2CC2(C)C)sc1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] Cc1cc(sc1[*:1])C(=O)N[C@@H]1CC1(C)C
Cc1cc(C(=O)N[C@@H]2CC2(C)C)sc1/C=C/C(=O)[O-] O=C([O-])[*:1] Cc1cc(sc1C=C[*:1])C(=O)N[C@@H]1CC1(C)C
Cc1cc(C(=O)N[C@@H]2CC2(C)C)sc1/C=C/C(=O)[O-] CC1(C)C[C@H]1[*:1] Cc1cc(sc1/C=C/C(=O)[O-])C(=O)N[*:1]
COc1ccc(OC)c(Nc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)c1 Fc1ccc(cc1F)[*:1] COc1ccc(OC)c(c1)Nc1nc(cs1)CC(=O)N[*:1]
CCOC(=O)C1(C)CCN(C(=O)Cc2cccc3ccc(OC)cc23)CC1 CCOC(=O)[*:1] COc1ccc2cccc(CC(=O)N3CCC(C)(CC3)[*:1])c2c1
C#CCN1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 C#CC[*:1] O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(CC1)[*:1]
NC(=O)C1CCN(C(=O)Cc2cc([O-])nc(SCc3ccccc3)n2)CC1 NC(=O)[*:1] O=C(Cc1cc([O-])nc(n1)SCc1ccccc1)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)Cc2cc([O-])nc(SCc3ccccc3)n2)CC1 c1ccc(cc1)CS[*:1] NC(=O)C1CCN(CC1)C(=O)Cc1cc([O-])nc(n1)[*:1]
NC(=O)C1CCN(C(=O)Cc2cc([O-])nc(SCc3ccccc3)n2)CC1 c1ccc(cc1)C[*:1] NC(=O)C1CCN(CC1)C(=O)Cc1cc([O-])nc(n1)S[*:1]
NC(=O)C1CCN(C(=O)Cc2cc([O-])nc(SCc3ccccc3)n2)CC1 c1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)Cc1cc([O-])nc(n1)SC[*:1]
Cc1nn(CC(=O)OC(C)C)c(C)c1[N+](=O)[O-] CC(C)[*:1] Cc1nn(CC(=O)O[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CC(=O)OC(C)C)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)OC(C)C)c(C)c1[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1cccc(C(N)=O)c1 NC(=O)[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1cccc(c1)[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1cccc(C(N)=O)c1 CCC[*:1] C[C@@H]1CCCN(C(=O)NCc2cccc(c2)C(N)=O)[C@H]1[*:1]
CC1(C)CCC[C@H]1NC(=O)[C@@H](N)c1ccccc1 c1ccc(cc1)[*:1] CC1(C)CCC[C@H]1NC(=O)[C@@H](N)[*:1]
Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])N1CCN(CC1)c1cc(ncn1)N1CCCC1
Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)c(C)c1 C1CCN(C1)[*:1] Cc1ccc(NC(=O)N2CCN(CC2)c2cc(ncn2)[*:1])c(C)c1
C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(c3ccccc3C(=O)NCc3ccc(F)cc3)C(=O)N21 O=C(NCc1ccc(F)cc1)[*:1] C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C(=O)N21)c1ccccc1[*:1]
C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(c3ccccc3C(=O)NCc3ccc(F)cc3)C(=O)N21 Fc1ccc(cc1)C[*:1] C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C(=O)N21)c1ccccc1C(=O)N[*:1]
C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(c3ccccc3C(=O)NCc3ccc(F)cc3)C(=O)N21 Fc1ccc(cc1)[*:1] C[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C(=O)N21)c1ccccc1C(=O)NC[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC(c2nc[nH]n2)CC1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N1CCC(CC1)c1nc[nH]n1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC(c2nc[nH]n2)CC1 c1nc(n[nH]1)[*:1] Cc1ccc(cc1NC(=O)N1CCC(CC1)[*:1])-c1ncco1
CC(C)C(=O)NCCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 CC(C)C(=O)NC[*:1] O=C(NC[*:1])N[C@@H]1C[C@@H]1c1cccc(Cl)c1
CC(C)C(=O)NCCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 CC(C)[*:1] O=C(NCCNC(=O)[*:1])N[C@@H]1C[C@@H]1c1cccc(Cl)c1
CC(C)C(=O)NCCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)C(=O)NCCNC(=O)N[C@@H]1C[C@H]1[*:1]
CC(C)C(=O)NCCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 CC(C)C(=O)N[*:1] O=C(NCC[*:1])N[C@@H]1C[C@@H]1c1cccc(Cl)c1
CCn1cc(Cl)c(C(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)n1 c1coc(c1)[*:1] CCn1cc(Cl)c(n1)C(=O)N1N=C2C(=C[*:1])CCC[C@@H]2[C@@H]1c1ccco1
CCn1cc(Cl)c(C(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)n1 CCn1cc(Cl)c(n1)[*:1] O=C(N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1)[*:1]
CCn1cc(Cl)c(C(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)n1 c1coc(c1)[*:1] CCn1cc(Cl)c(n1)C(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1[*:1]
CCOC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 CCOC(=O)[*:1] O=C(Nc1sccc1[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
CCOC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
C[C@@H](NC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])c1nccs1 C[C@@H](c1nccs1)[*:1] O=C(N[C@H]1CCCCC[C@@H]1C(=O)[O-])N[*:1]
C[C@@H](NC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])c1nccs1 O=C([O-])[*:1] C[C@@H](NC(=O)N[C@H]1CCCCC[C@H]1[*:1])c1nccs1
C[C@@H](NC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])c1nccs1 c1csc(n1)[*:1] C[C@@H](NC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])[*:1]
C[C@@H](C(=O)N[C@H]1CC=CCC1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)N[C@H]1CC=CCC1)[*:1]
Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(F)cc4F)c(=O)c23)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)-c1csc2ncn(CC(=O)N[*:1])c(=O)c12
Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(F)cc4F)c(=O)c23)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1cnc2scc(c2c1=O)[*:1])Nc1ccc(F)cc1F
Cc1cccc(OCC(=O)N/N=C\C=C\c2ccccc2[N+](=O)[O-])c1C Cc1cccc(c1C)[*:1] O=C(CO[*:1])N/N=C\C=C\c1ccccc1[N+](=O)[O-]
Cc1cccc(OCC(=O)N/N=C\C=C\c2ccccc2[N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cccc(OCC(=O)N/N=C\C=C\c2ccccc2[*:1])c1C
O=C1NC(=O)/C(=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)N1 O=C1NC(=O)C(=C[*:1])N1 O=[N+]([O-])c1ccc(cc1)COc1ccc2ccccc2c1[*:1]
O=C1NC(=O)/C(=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)N1 O=[N+]([O-])[*:1] O=C1NC(=O)/C(=C\c2c(ccc3ccccc23)OCc2ccc(cc2)[*:1])N1
O=C1NC(=O)/C(=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)N1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1NC(=O)/C(=C\c2c(ccc3ccccc23)OC[*:1])N1
COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccccc2F)c1 COc1ccc(OC)c(c1)[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)N[*:1])c1ccccc1F
COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccccc2F)c1 Fc1ccccc1[*:1] COc1ccc(OC)c(c1)NC(=O)C1=C(C)Nc2nnnn2[C@H]1[*:1]
CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] CC(C)(C)[*:1] CC(C)(C)c1ccc(cc1)C[C@]1(CCCN1C(=O)O[*:1])C(=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(cc1)C(C)(C)C)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] CC(C)(C)[*:1] CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(cc1)[*:1])C(=O)[O-]
CC/N=C1/S/C(=C/C(=O)OC)C(=O)N1c1cccc(OC)c1 COC(=O)[*:1] CC/N=C1/SC(=C[*:1])C(=O)N1c1cccc(c1)OC
O=C(Nc1ccc(-c2ccccc2)nn1)N1CCOC[C@@H]1C1CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(nn1)[*:1])N1CCOC[C@@H]1C1CC1
O=C(Nc1ccc(-c2ccccc2)nn1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(Nc1ccc(nn1)-c1ccccc1)N1CCOC[C@H]1[*:1]
C#CC[C@@H](OC(=O)c1cnn2cc(Br)cnc12)C1CC1 C1CC1[*:1] C#CC[C@@H](OC(=O)c1cnn2cc(Br)cnc12)[*:1]
C#CC[C@@H](OC(=O)c1cnn2cc(Br)cnc12)C1CC1 C#CC[*:1] O=C(O[C@@H](C1CC1)[*:1])c1cnn2cc(Br)cnc12
CN(Cc1nccn1C(F)F)C(=O)CNC(=O)C(C)(C)C CC(C)(C)[*:1] CN(Cc1nccn1C(F)F)C(=O)CNC(=O)[*:1]
CN(Cc1nccn1C(F)F)C(=O)CNC(=O)C(C)(C)C CC(C)(C)C(=O)N[*:1] CN(Cc1nccn1C(F)F)C(=O)C[*:1]
CN(Cc1nccn1C(F)F)C(=O)CNC(=O)C(C)(C)C FC(F)[*:1] CN(Cc1nccn1[*:1])C(=O)CNC(=O)C(C)(C)C
Cn1cnc2cc(C(=O)N3CCC(c4[nH]ncc4-c4ccccc4)CC3)cnc21 c1ccc(cc1)[*:1] Cn1cnc2cc(cnc21)C(=O)N1CCC(CC1)c1[nH]ncc1[*:1]
COC(=O)[C@]1(NC2CC2)CS[C@H](C)C1 C1CC1[*:1] COC(=O)[C@@]1(CS[C@H](C)C1)N[*:1]
COC(=O)[C@]1(NC2CC2)CS[C@H](C)C1 COC(=O)[*:1] C[C@@H]1C[C@@](CS1)(NC1CC1)[*:1]
COC(=O)[C@]1(NC2CC2)CS[C@H](C)C1 C1CC1N[*:1] COC(=O)[C@@]1(CS[C@H](C)C1)[*:1]
CCCN(CCO)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 CCC[*:1] O=C(c1ccc(cc1)NC(=O)N(CCO)[*:1])N1CCCCCC1
CCCN(CCO)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 OCC[*:1] CCCN(C(=O)Nc1ccc(cc1)C(=O)N1CCCCCC1)[*:1]
CC(C)Cn1ncnc1C[C@H](CO)c1ccccc1Cl CC(C)[*:1] OC[C@@H](Cc1ncnn1C[*:1])c1ccccc1Cl
CC(C)Cn1ncnc1C[C@H](CO)c1ccccc1Cl CC(C)C[*:1] OC[C@@H](Cc1ncnn1[*:1])c1ccccc1Cl
C/C=C/CC(=O)N1CCC(c2nnc(Cn3cncn3)n2CC)CC1 c1ncn(n1)[*:1] C/C=C/CC(=O)N1CCC(CC1)c1nnc(C[*:1])n1CC
C/C=C/CC(=O)N1CCC(c2nnc(Cn3cncn3)n2CC)CC1 C/C=C/C[*:1] CCn1c(Cn2cncn2)nnc1C1CCN(CC1)C(=O)[*:1]
C/C=C/CC(=O)N1CCC(c2nnc(Cn3cncn3)n2CC)CC1 CC=C[*:1] CCn1c(Cn2cncn2)nnc1C1CCN(CC1)C(=O)C[*:1]
C/C=C/CC(=O)N1CCC(c2nnc(Cn3cncn3)n2CC)CC1 c1ncn(C[*:1])n1 C/C=C/CC(=O)N1CCC(CC1)c1nnc(n1CC)[*:1]
Cc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3cccnc3)[C@H]1[C@@H](c1cccc(F)c1)O2 c1cncc(c1)[*:1] Cc1ccc2O[C@H](c3cccc(F)c3)[C@H]3C(=Nc4ncnn4[C@@H]3[*:1])c2c1
Cc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3cccnc3)[C@H]1[C@@H](c1cccc(F)c1)O2 Fc1cccc(c1)[*:1] Cc1ccc2O[C@H]([C@H]3C(=Nc4ncnn4[C@H]3c3cccnc3)c2c1)[*:1]
Cc1cc2cc(CN3CCn4c(nnc4C(F)(F)F)C3)oc2cc1C FC(F)(F)[*:1] Cc1cc2cc(CN3CCn4c(C3)nnc4[*:1])oc2cc1C
O=C1C[C@@H](C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)CN1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N(C[C@@H]1CCCO1)c1nc2ccccc2s1
O=C1C[C@@H](C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)CN1c1ccc(F)cc1 c1ccc2sc(nc2c1)[*:1] O=C1C[C@H](CN1c1ccc(F)cc1)C(=O)N(C[C@@H]1CCCO1)[*:1]
O=C1C[C@@H](C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)CN1c1ccc(F)cc1 C1CO[C@@H](C1)C[*:1] O=C1C[C@H](CN1c1ccc(F)cc1)C(=O)N(c1nc2ccccc2s1)[*:1]
O=C(NC1CCCCCC1)N[C@@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(NC1CCCCCC1)N[C@@H]1C=C[C@H](C1)[*:1]
Cn1ncc(C(=O)[O-])c1C(=O)Nc1nccc(-c2ccc(OC(F)F)cc2)n1 O=C([O-])[*:1] Cn1ncc(c1C(=O)Nc1nccc(n1)-c1ccc(cc1)OC(F)F)[*:1]
Cn1ncc(C(=O)[O-])c1C(=O)Nc1nccc(-c2ccc(OC(F)F)cc2)n1 FC(F)O[*:1] Cn1ncc(C(=O)[O-])c1C(=O)Nc1nccc(n1)-c1ccc(cc1)[*:1]
Cn1ncc(C(=O)[O-])c1C(=O)Nc1nccc(-c2ccc(OC(F)F)cc2)n1 FC(F)[*:1] Cn1ncc(C(=O)[O-])c1C(=O)Nc1nccc(n1)-c1ccc(cc1)O[*:1]
CC(C)(C)Oc1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])[C@@H]1C[C@H]1[N+](=O)[O-]
CC(C)(C)Oc1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 O=[N+]([O-])[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)[C@@H]1C[C@@H]1[*:1]
CC(C)(C)Oc1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])[C@@H]1C[C@H]1[N+](=O)[O-]
Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2nncn2C)[NH+](C)C)cc1 Cn1cnnc1[*:1] Cc1ccc(cc1)[C@H](CNC(=O)N[C@@H](C)[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2nncn2C)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)NC[C@H]([NH+](C)C)[*:1])c1nncn1C
Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2nncn2C)[NH+](C)C)cc1 C[C@@H](c1nncn1C)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)N[*:1])[NH+](C)C
CC(C)C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccs1 CC(C)[*:1] CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H](C[*:1])c2cccs2)C1
CC(C)C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccs1 CC(C)C[*:1] CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](c2cccs2)[*:1])C1
CC(C)C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccs1 c1csc(c1)[*:1] CC(C)C[C@@H]([NH2+]C[C@@H]1CCN(C1)S(C)(=O)=O)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1NC(=O)c1cccs1 Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1ccccc1NC(=O)c1cccs1
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1NC(=O)c1cccs1 O=C(N[*:1])c1cccs1 C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1NC(=O)c1cccs1 Fc1ccccc1O[*:1] C[C@H](C(=O)NNC(=O)c1ccccc1NC(=O)c1cccs1)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1NC(=O)c1cccs1 c1csc(c1)[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccccc1NC(=O)[*:1]
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)s1)[*:1]
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1CCCO1 Clc1ccc(s1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1CCCO1
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C1CCOCC1 O=C([O-])[*:1] CC(C)(C)OC(=O)N[C@@H](C[*:1])C1CCOCC1
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C1CCOCC1 C1CC(CCO1)[*:1] CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])[*:1]
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C1CCOCC1 CC(C)(C)[*:1] O=C([O-])C[C@H](NC(=O)O[*:1])C1CCOCC1
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C1CCOCC1 O=C([O-])C[*:1] CC(C)(C)OC(=O)N[C@@H](C1CCOCC1)[*:1]
CC1(C)CCCN1C(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] CC1(C)CCCN1C(=O)c1cccc(c1F)[*:1]
CCOc1ccc(S(=O)(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1 CCO[*:1] O=[N+]([O-])c1ccc(/C=N\NS(=O)(=O)c2ccc(cc2)[*:1])o1
CCOc1ccc(S(=O)(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)S(=O)(=O)N/N=C\c1ccc(o1)[*:1]
C[C@@H](NC(=O)N[C@H]1CCCc2ccc(F)cc21)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](NC(=O)N[C@H]1CCCc2ccc(F)cc21)c1nc(no1)[*:1]
CCc1ccc(C2=CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(C[NH+]1CC=C(CC1)[*:1])NC1CC[NH+](CC1)C1CC1
CCc1ccc(C2=CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 C1CC1[*:1] CCc1ccc(cc1)C1=CC[NH+](CC1)CC(=O)NC1CC[NH+](CC1)[*:1]
CN1C(=O)N(C[C@H](O)COCc2ccccc2Cl)C(=O)C12CCCCC2 Clc1ccccc1C[*:1] CN1C(=O)N(C[C@H](O)CO[*:1])C(=O)C12CCCCC2
CN1C(=O)N(C[C@H](O)COCc2ccccc2Cl)C(=O)C12CCCCC2 Clc1ccccc1[*:1] CN1C(=O)N(C[C@H](O)COC[*:1])C(=O)C12CCCCC2
Cc1ccc(OCCC(=O)Nc2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] Cc1ccc(cc1)OCCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(OCCC(=O)Nc2ccc(C(N)=O)cc2)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)CCO[*:1]
COc1ccc(Br)c(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1 CN(S(C)(=O)=O)[*:1] COc1ccc(Br)c(c1)C[NH+]1CCC(CC1)[*:1]
CCOc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 CCO[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)[C@@H]1CC(=O)N(C1)[C@@H]1CCS(=O)(=O)C1
CCOc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 CCOc1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@@H]1CC(=O)N(C1)[C@@H]1CCS(=O)(=O)C1
CC(=O)Nc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1 c1nncn1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1cc(ccc1Br)[*:1]
CC(=O)Nc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(ccc1Br)-n1cnnc1
NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 c1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)[C@@H](C[*:1])N1C(=O)c2ccccc2C1=O
NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 NC(=O)[*:1] O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 c1ccc(cc1)C[*:1] NC(=O)C1CCN(CC1)C(=O)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CCCn1ccnc1-c1cccc(N)c1 CCC[*:1] Nc1cccc(c1)-c1nccn1[*:1]
O=C(NCCOC[C@@H]1CCCO1)N1CC=C(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(NCCOC[C@@H]1CCCO1)N1CC=C(CC1)[*:1]
CN[C@@H](C(N)=O)c1cc(F)ccc1F NC(=O)[*:1] CN[C@@H](c1cc(F)ccc1F)[*:1]
CSc1ccc(Cc2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 Clc1ccc(cc1)[*:1] CSc1ccc(cc1)Cc1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)[*:1])o1
CSc1ccc(Cc2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 CSc1ccc(cc1)C[*:1] O=C(Nc1nnc(o1)[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
CSc1ccc(Cc2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 CSc1ccc(cc1)[*:1] O=C(Nc1nnc(C[*:1])o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccccc2)c1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(c(c1)NC(=O)C=C[*:1])N1CCOCC1
CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccccc2)c1 C1CN(CCO1)[*:1] CCOC(=O)c1ccc(c(c1)NC(=O)/C=C/c1ccccc1)[*:1]
CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccccc2)c1 CCOC(=O)[*:1] O=C(/C=C/c1ccccc1)Nc1cc(ccc1N1CCOCC1)[*:1]
CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccccc2)c1 C(=C[*:1])c1ccccc1 CCOC(=O)c1ccc(c(c1)NC(=O)[*:1])N1CCOCC1
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2nccn3ccnc23)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1nccn2ccnc12)[C@@H](O)[*:1]
CSC[C@@H](C)C(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 CSC[*:1] C[C@@H](C(=O)Nc1cccc2CN(CCc21)S(C)(=O)=O)[*:1]
O=C(OC[C@@H](O)CO)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 O=C(OC[C@@H](O)CO)[*:1] Clc1ccc2c(cc[nH+]c2c1)Nc1ccccc1[*:1]
O=C(OC[C@@H](O)CO)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 OC[C@H](O)C[*:1] O=C(O[*:1])c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12
COc1cc(CCNC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)CCNC(=O)N[C@@H]1C[C@H](C)N(C1)[*:1]
COc1cc(CCNC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2)ccc1O COc1cc(ccc1O)[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)NCC[*:1]
O=C(Nc1cccc(NC(=O)c2ccccc2-n2cccn2)c1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1ccccc1-n1cccn1
O=C(Nc1cccc(NC(=O)c2ccccc2-n2cccn2)c1)c1ccco1 c1cnn(c1)[*:1] O=C(Nc1cccc(c1)NC(=O)c1ccccc1[*:1])c1ccco1
O=C(Nc1cccc(NC(=O)c2ccccc2-n2cccn2)c1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(Nc1cccc(c1)[*:1])c1ccccc1-n1cccn1
CCCn1cc(C(=O)Nc2ccccc2Cl)c2nn(-c3ccccc3)c(=O)c-2c1 Clc1ccccc1[*:1] CCCn1cc(C(=O)N[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
CCCn1cc(C(=O)Nc2ccccc2Cl)c2nn(-c3ccccc3)c(=O)c-2c1 CCC[*:1] O=C(Nc1ccccc1Cl)c1cn(cc2-c1nn(-c1ccccc1)c2=O)[*:1]
CCCn1cc(C(=O)Nc2ccccc2Cl)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] CCCn1cc(C(=O)Nc2ccccc2Cl)c2nn(c(=O)c-2c1)[*:1]
Cc1cc([C@H](C)NC(=O)c2scnc2C2CC2)c(C)o1 C1CC1[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)c1scnc1[*:1]
Cc1ccc(C)c(-c2[nH+]ccn2CCSc2ncn[nH]2)c1 c1n[nH]c(n1)SC[*:1] Cc1ccc(C)c(c1)-c1[nH+]ccn1C[*:1]
Cc1ccc(C)c(-c2[nH+]ccn2CCSc2ncn[nH]2)c1 c1n[nH]c(n1)[*:1] Cc1ccc(C)c(c1)-c1[nH+]ccn1CCS[*:1]
Cc1ccc(C)c(-c2[nH+]ccn2CCSc2ncn[nH]2)c1 c1n[nH]c(n1)S[*:1] Cc1ccc(C)c(c1)-c1[nH+]ccn1CC[*:1]
Fc1ccc(NC(=S)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 Fc1ccc(cc1)[*:1] FC(F)(F)c1cnc(c(Cl)c1)N1CCN(CC1)C(=S)N[*:1]
Fc1ccc(NC(=S)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 FC(F)(F)[*:1] Fc1ccc(cc1)NC(=S)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
Cc1cc(C[NH+](C)CC2CC(Cl)C2)c2ccccc2n1 ClC1CC(C1)[*:1] Cc1cc(C[NH+](C)C[*:1])c2ccccc2n1
COc1ccc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)c(OC)c1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(/C=C(/C(=O)NCc2ccccc2)[*:1])c(c1)OC
COc1ccc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(/C=C(/C(=O)NC[*:1])c2nc3ccccc3[nH]2)c(c1)OC
COc1ccc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(NCc1ccccc1)C(=C[*:1])c1nc2ccccc2[nH]1
COc1ccc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)c(OC)c1 O=C(NCc1ccccc1)[*:1] COc1ccc(C=C(c2nc3ccccc3[nH]2)[*:1])c(c1)OC
COc1ccc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)c(OC)c1 c1ccc(cc1)C[*:1] COc1ccc(/C=C(/C(=O)N[*:1])c2nc3ccccc3[nH]2)c(c1)OC
COC(=O)c1ccc(C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)cc1 COC(=O)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(cc1)[*:1]
C[C@H]([NH2+]CCOc1ccccc1C(C)(C)C)C1CCOCC1 CC(C)(C)[*:1] C[C@H]([NH2+]CCOc1ccccc1[*:1])C1CCOCC1
C[C@H]([NH2+]CCOc1ccccc1C(C)(C)C)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H]([NH2+]CCOc1ccccc1C(C)(C)C)[*:1]
C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)CC2)S1 c1ccc(cc1)[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)[C@@H](C)NC(=O)[*:1]
O=c1cc(-c2cscn2)oc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc12 c1nc(cs1)[*:1] O=c1cc(oc2cc(ccc12)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[*:1]
CCOC(=O)C1=C(CSc2ccc3ccccc3c2)NC(=O)N[C@@H]1c1ccco1 c1coc(c1)[*:1] CCOC(=O)C1=C(CSc2ccc3ccccc3c2)NC(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(CSc2ccc3ccccc3c2)NC(=O)N[C@@H]1c1ccco1 CCOC(=O)[*:1] O=C1NC(CSc2ccc3ccccc3c2)=C([C@H](N1)c1ccco1)[*:1]
Cc1csc([C@@H](C)NC(=O)NCc2ccnc(OC3CCCC3)c2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)OC1CCCC1)[*:1]
Cc1csc([C@@H](C)NC(=O)NCc2ccnc(OC3CCCC3)c2)n1 C1CCC(C1)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)NCc1ccnc(c1)O[*:1]
Cc1csc([C@@H](C)NC(=O)NCc2ccnc(OC3CCCC3)c2)n1 C1CCC(C1)O[*:1] Cc1csc(n1)[C@@H](C)NC(=O)NCc1ccnc(c1)[*:1]
COc1ccc(CC(=O)N/N=C(/C)c2cccc(NC(=O)C3CC3)c2)cc1 COc1ccc(cc1)C[*:1] C/C(=N/NC(=O)[*:1])c1cccc(c1)NC(=O)C1CC1
COc1ccc(CC(=O)N/N=C(/C)c2cccc(NC(=O)C3CC3)c2)cc1 C1CC1[*:1] COc1ccc(cc1)CC(=O)N/N=C(/C)c1cccc(c1)NC(=O)[*:1]
COc1ccc(CC(=O)N/N=C(/C)c2cccc(NC(=O)C3CC3)c2)cc1 COc1ccc(cc1)[*:1] C/C(=N/NC(=O)C[*:1])c1cccc(c1)NC(=O)C1CC1
COc1ccc(CC(=O)N/N=C(/C)c2cccc(NC(=O)C3CC3)c2)cc1 O=C(N[*:1])C1CC1 COc1ccc(cc1)CC(=O)N/N=C(/C)c1cccc(c1)[*:1]
Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(C)c3c(C)noc3C)c2c1 Cc1noc(C)c1[*:1] Cc1cc(C)c2nc(cc(C(=O)N(C)[*:1])c2c1)C1CC1
Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(C)c3c(C)noc3C)c2c1 C1CC1[*:1] Cc1cc(C)c2nc(cc(C(=O)N(C)c3c(C)noc3C)c2c1)[*:1]
O=S(=O)(N/N=C1\CCCC[C@H]1c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(N/N=C1\CCCC[C@@H]1[*:1])c1ccccc1
O=S(=O)(N/N=C1\CCCC[C@H]1c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(N/N=C1\CCCC[C@H]1c1ccccc1)[*:1]
COc1ccc(Oc2ncnc(Nc3cc(C)cc(C)c3)c2[N+](=O)[O-])cc1 COc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)Nc1ncnc(O[*:1])c1[N+](=O)[O-]
COc1ccc(Oc2ncnc(Nc3cc(C)cc(C)c3)c2[N+](=O)[O-])cc1 COc1ccc(cc1)O[*:1] Cc1cc(C)cc(c1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
COc1ccc(Oc2ncnc(Nc3cc(C)cc(C)c3)c2[N+](=O)[O-])cc1 Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1)Oc1ncnc(N[*:1])c1[N+](=O)[O-]
COc1ccc(Oc2ncnc(Nc3cc(C)cc(C)c3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)Oc1ncnc(Nc2cc(C)cc(C)c2)c1[*:1]
COc1ccc(Oc2ncnc(Nc3cc(C)cc(C)c3)c2[N+](=O)[O-])cc1 Cc1cc(C)cc(c1)N[*:1] COc1ccc(cc1)Oc1ncnc(c1[N+](=O)[O-])[*:1]
COc1cccc(NC(=O)C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c1 COc1cccc(c1)[*:1] C[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)C(=O)N[*:1]
COc1cccc(NC(=O)C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)C(=O)N1CC[C@H]([C@H](C)C1)[*:1]
Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](O)C[C@H]1[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)COCc2nc(C)no2)cc1 Cc1noc(n1)[*:1] Cc1ccc(cc1)[C@@H](C)N(C)C(=O)COC[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)COCc2nc(C)no2)cc1 Cc1noc(C[*:1])n1 Cc1ccc(cc1)[C@@H](C)N(C)C(=O)CO[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)COCc2nc(C)no2)cc1 Cc1ccc(cc1)[*:1] Cc1noc(COCC(=O)N(C)[C@H](C)[*:1])n1
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NC[C@H](O)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(NC[C@H](O)c1ccc(cc1)[N+](=O)[O-])c1cccc(c1)[*:1]
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=[N+]([O-])[*:1] O=C(NC[C@H](O)c1ccc(cc1)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
Cc1cc([C@@H](C)NC(=O)NCCC(=O)N2CCCC2)c(C)s1 O=C(N1CCCC1)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)NCC[*:1]
Cc1cc([C@@H](C)NC(=O)NCCC(=O)N2CCCC2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H](NC(=O)NCCC(=O)N1CCCC1)[*:1]
CCCNC(=O)c1ccc(NCC(=O)N2CCC(C)CC2)cc1 CCC[*:1] CC1CCN(CC1)C(=O)CNc1ccc(cc1)C(=O)N[*:1]
CCCNC(=O)c1ccc(NCC(=O)N2CCC(C)CC2)cc1 CCCNC(=O)[*:1] CC1CCN(CC1)C(=O)CNc1ccc(cc1)[*:1]
O[C@H](CNc1ncnc2sccc12)COc1cccc(F)c1 Fc1cccc(c1)[*:1] O[C@H](CNc1ncnc2sccc12)CO[*:1]
O=c1c2c3nc4ccccc4nc3n(/N=C/c3cccc(Cl)c3)c2ncn1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c2c3nc4ccccc4nc3n(/N=C/c3cccc(Cl)c3)c2ncn1[*:1]
O=c1c2c3nc4ccccc4nc3n(/N=C/c3cccc(Cl)c3)c2ncn1-c1ccccc1 Clc1cccc(c1)[*:1] O=c1c2c3nc4ccccc4nc3n(N=C[*:1])c2ncn1-c1ccccc1
CCN(CCC#N)C(=O)CSc1nc2ccccc2n1CC N#CCC[*:1] CCN(C(=O)CSc1nc2ccccc2n1CC)[*:1]
CCN(CCC#N)C(=O)CSc1nc2ccccc2n1CC N#CC[*:1] CCN(C[*:1])C(=O)CSc1nc2ccccc2n1CC
Cc1cc(C[C@@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2Cl)n[nH]1 c1ncn(n1)[*:1] Cc1cc(C[C@@H](C)N[C@H](C)c2ccc(cc2Cl)[*:1])n[nH]1
Cc1cc(C[C@@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2Cl)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@H](C[*:1])N[C@H](C)c1ccc(cc1Cl)-n1cncn1
Cc1cc(C[C@@H](C)N[C@H](C)c2ccc(-n3cncn3)cc2Cl)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@@H](N[C@H](C)[*:1])c1ccc(cc1Cl)-n1cncn1
Cc1noc(C)c1Cn1cnc2sc(-c3nc(-c4ccccc4Cl)no3)c(C)c2c1=O Clc1ccccc1[*:1] Cc1noc(C)c1Cn1cnc2sc(-c3nc(no3)[*:1])c(C)c2c1=O
Cc1noc(C)c1Cn1cnc2sc(-c3nc(-c4ccccc4Cl)no3)c(C)c2c1=O Cc1noc(C)c1C[*:1] Cc1c(sc2ncn(c(=O)c12)[*:1])-c1nc(no1)-c1ccccc1Cl
Cc1noc(C)c1Cn1cnc2sc(-c3nc(-c4ccccc4Cl)no3)c(C)c2c1=O Cc1noc(C)c1[*:1] Cc1c(sc2ncn(C[*:1])c(=O)c12)-c1nc(no1)-c1ccccc1Cl
CCCn1cc[nH+]c1C[C@H]([NH2+]C)[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] CCCn1cc[nH+]c1C[C@H]([NH2+]C)[C@@H]1CN(CCO1)[*:1]
CCCn1cc[nH+]c1C[C@H]([NH2+]C)[C@@H]1CN(C(C)C)CCO1 CCC[*:1] C[NH2+][C@@H](Cc1[nH+]ccn1[*:1])[C@@H]1CN(CCO1)C(C)C
O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cc[nH]n1 c1cc(n[nH]1)[*:1] O=C(NCCC12CC3CC(CC(C3)C1)C2)[*:1]
CSCC[C@H](N[C@H](C)c1cccnc1)c1nnc2ccccn12 CSC[*:1] C[C@@H](N[C@@H](C[*:1])c1nnc2ccccn12)c1cccnc1
CSCC[C@H](N[C@H](C)c1cccnc1)c1nnc2ccccn12 CSCC[*:1] C[C@@H](N[C@H](c1nnc2ccccn12)[*:1])c1cccnc1
CSCC[C@H](N[C@H](C)c1cccnc1)c1nnc2ccccn12 c1cncc(c1)[*:1] CSCC[C@H](N[C@H](C)[*:1])c1nnc2ccccn12
CC[NH2+][C@H]1CC[C@@H](SC[C@@H](C)CO)C1 C[C@@H](CO)[*:1] CC[NH2+][C@H]1CC[C@H](C1)SC[*:1]
NC(=O)c1ccc(NC(=O)NNc2ccccc2Cl)cc1 Clc1ccccc1[*:1] NC(=O)c1ccc(cc1)NC(=O)NN[*:1]
NC(=O)c1ccc(NC(=O)NNc2ccccc2Cl)cc1 NC(=O)[*:1] O=C(NNc1ccccc1Cl)Nc1ccc(cc1)[*:1]
Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC[*:1]
Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)O[*:1]
Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1
COc1ccc(NC(=O)NCc2cccnc2)c(C)c1 c1cncc(c1)[*:1] COc1ccc(NC(=O)NC[*:1])c(C)c1
COc1ccccc1N1CCN(C(=O)c2nn(C)c3ccc(F)cc3c2=O)CC1 COc1ccccc1[*:1] Cn1nc(C(=O)N2CCN(CC2)[*:1])c(=O)c2cc(F)ccc21
CCc1nc2ccccc2n1CC(=O)Nc1cccc(C)c1 Cc1cccc(c1)[*:1] CCc1nc2ccccc2n1CC(=O)N[*:1]
CC[C@@H](C[C@H](C)CO)Nc1ccc([N+](=O)[O-])c2cccnc12 O=[N+]([O-])[*:1] CC[C@@H](C[C@H](C)CO)Nc1ccc(c2cccnc12)[*:1]
CC[C@@H](C[C@H](C)CO)Nc1ccc([N+](=O)[O-])c2cccnc12 C[C@H](CO)C[*:1] CC[C@@H](Nc1ccc(c2cccnc12)[N+](=O)[O-])[*:1]
CC[C@@H](C[C@H](C)CO)Nc1ccc([N+](=O)[O-])c2cccnc12 C[C@H](CO)[*:1] CC[C@@H](C[*:1])Nc1ccc(c2cccnc12)[N+](=O)[O-]
CC(=O)N(c1nc(Cn2ccc(=O)c3sccc32)cs1)C1CC1 C1CC1[*:1] CC(=O)N(c1nc(cs1)Cn1ccc(=O)c2sccc21)[*:1]
CC(=O)N(c1nc(Cn2ccc(=O)c3sccc32)cs1)C1CC1 CC(=O)N(C1CC1)[*:1] O=c1ccn(Cc2csc(n2)[*:1])c2ccsc12
CC(C)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 O=[N+]([O-])[*:1] CC(C)c1ccc(cc1)NC(=O)Cn1cc(cn1)[*:1]
CC(C)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 CC(C)[*:1] O=C(Cn1cc(cn1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
Cc1ccc(-c2nc(C(=O)NCC[C@H](O)c3ccccc3)cs2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)-c1nc(cs1)C(=O)NCC[C@H](O)[*:1]
Cc1ccc(-c2nc(C(=O)NCC[C@H](O)c3ccccc3)cs2)o1 Cc1ccc(o1)[*:1] O=C(NCC[C@H](O)c1ccccc1)c1csc(n1)[*:1]
Cc1ccc(-c2nc(C(=O)NCC[C@H](O)c3ccccc3)cs2)o1 O[C@H](c1ccccc1)[*:1] Cc1ccc(o1)-c1nc(cs1)C(=O)NCC[*:1]
CC(C)C1=[NH+][C@@H](CCCC(=O)NC2=NN=C(c3cccs3)C2)ON1 CC(C)[*:1] O=C(CCC[C@@H]1[NH+]=C(NO1)[*:1])NC1CC(=NN=1)c1cccs1
CC(C)C1=[NH+][C@@H](CCCC(=O)NC2=NN=C(c3cccs3)C2)ON1 c1csc(c1)[*:1] CC(C)C1NO[C@H](CCCC(=O)NC2CC(=NN=2)[*:1])[NH+]=1
CCCN[C@H](c1cccc(C)c1)[C@H]1CN(CCC)CCO1 CCC[*:1] CCCN[C@H](c1cccc(C)c1)[C@H]1CN(CCO1)[*:1]
CCCN[C@H](c1cccc(C)c1)[C@H]1CN(CCC)CCO1 CCCN[*:1] CCCN1CCO[C@H](C1)[C@@H](c1cccc(C)c1)[*:1]
CCCN[C@H](c1cccc(C)c1)[C@H]1CN(CCC)CCO1 CCC[*:1] CCCN1CCO[C@H](C1)[C@H](N[*:1])c1cccc(C)c1
CCCN[C@H](c1cccc(C)c1)[C@H]1CN(CCC)CCO1 Cc1cccc(c1)[*:1] CCCN[C@H]([C@H]1CN(CCC)CCO1)[*:1]
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nccs1 CC(C)[*:1] O=C(N[C@H](C(=O)Nc1nccs1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1)C(=O)N[*:1]
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nccs1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])C(=O)Nc1nccs1
CCCc1cc(=O)n(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 c1ccc(cc1)O[*:1] CCCc1cc(=O)n(cn1)CC(=O)Nc1ccc(cc1)[*:1]
CCCc1cc(=O)n(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 CCC[*:1] O=C(Cn1cnc(cc1=O)[*:1])Nc1ccc(cc1)Oc1ccccc1
CCCc1cc(=O)n(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 c1ccc(cc1)[*:1] CCCc1cc(=O)n(cn1)CC(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 Cc1cc(ccc1Cl)O[*:1] COc1ccc(cc1)-c1noc(CN(C)C(=O)[C@H](C)[*:1])n1
COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 COc1ccc(cc1)[*:1] Cc1cc(ccc1Cl)O[C@@H](C)C(=O)N(C)Cc1nc(no1)[*:1]
COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 Cc1cc(ccc1Cl)[*:1] COc1ccc(cc1)-c1noc(CN(C)C(=O)[C@H](C)O[*:1])n1
CCOC(=O)CN(C(=O)c1ccc(-c2nc(C)no2)cc1)C1CCCC1 C1CCC(C1)[*:1] CCOC(=O)CN(C(=O)c1ccc(cc1)-c1nc(C)no1)[*:1]
CCOC(=O)CN(C(=O)c1ccc(-c2nc(C)no2)cc1)C1CCCC1 Cc1noc(n1)[*:1] CCOC(=O)CN(C(=O)c1ccc(cc1)[*:1])C1CCCC1
CCOC(=O)CN(C(=O)c1ccc(-c2nc(C)no2)cc1)C1CCCC1 CCOC(=O)C[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)N(C1CCCC1)[*:1]
CCOC(=O)CN(C(=O)c1ccc(-c2nc(C)no2)cc1)C1CCCC1 CCOC(=O)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)N(C[*:1])C1CCCC1
COc1cccc(OCC(=O)NCCc2cc(C)no2)c1 Cc1cc(C[*:1])on1 COc1cccc(c1)OCC(=O)NC[*:1]
COc1cccc(OCC(=O)NCCc2cc(C)no2)c1 Cc1cc(on1)[*:1] COc1cccc(c1)OCC(=O)NCC[*:1]
Cc1cccc(Nc2ncccc2S(N)(=O)=O)c1 NS(=O)(=O)[*:1] Cc1cccc(c1)Nc1ncccc1[*:1]
COc1cccc([C@H](NC(=O)N2CC[C@H](C)C[C@H]2C)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@H](NC(=O)N1CC[C@H](C)C[C@H]1C)[*:1]
COc1cccc([C@H](NC(=O)N2CC[C@H](C)C[C@H]2C)c2nccn2C)c1 COc1cccc(c1)[*:1] C[C@H]1CCN(C(=O)N[C@H](c2nccn2C)[*:1])[C@H](C)C1
NC(=O)c1ccc(Oc2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)cc1 c1ccc(C[*:1])nc1 NC(=O)c1ccc(cc1)Oc1nccnc1[C@H]1CCCN(C1)[*:1]
NC(=O)c1ccc(Oc2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)cc1 c1ccc(nc1)[*:1] NC(=O)c1ccc(cc1)Oc1nccnc1[C@H]1CCCN(C1)C[*:1]
NC(=O)c1ccc(Oc2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)cc1 NC(=O)c1ccc(cc1)[*:1] c1ccc(CN2CCC[C@@H](C2)c2nccnc2O[*:1])nc1
NC(=O)c1ccc(Oc2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)cc1 NC(=O)[*:1] c1ccc(CN2CCC[C@@H](C2)c2nccnc2Oc2ccc(cc2)[*:1])nc1
O=c1cc(CN(Cc2cc(=O)n3ccsc3[nH+]2)Cc2ccco2)[nH+]c2sccn12 c1coc(c1)[*:1] O=c1cc(CN(Cc2cc(=O)n3ccsc3[nH+]2)C[*:1])[nH+]c2sccn12
O=c1cc(CN(Cc2cc(=O)n3ccsc3[nH+]2)Cc2ccco2)[nH+]c2sccn12 c1coc(c1)C[*:1] O=c1cc(CN(Cc2cc(=O)n3ccsc3[nH+]2)[*:1])[nH+]c2sccn12
COC(=O)c1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1C COC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)C1C[C@H](C)O[C@@H](C)C1
C[C@@H](NC(=O)NCc1ccc([N+]2=CCCC2)cc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)N[*:1]
C[C@@H](NC(=O)NCc1ccc([N+]2=CCCC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)[N+]1=CCCC1)[*:1]
Fc1ccc2cc(C[NH2+]C[C@@H]3COCCO3)c(OCc3ccccc3Cl)nc2c1 Clc1ccccc1C[*:1] Fc1ccc2cc(C[NH2+]C[C@@H]3COCCO3)c(nc2c1)O[*:1]
Fc1ccc2cc(C[NH2+]C[C@@H]3COCCO3)c(OCc3ccccc3Cl)nc2c1 Clc1ccccc1CO[*:1] Fc1ccc2cc(C[NH2+]C[C@@H]3COCCO3)c(nc2c1)[*:1]
Fc1ccc2cc(C[NH2+]C[C@@H]3COCCO3)c(OCc3ccccc3Cl)nc2c1 Clc1ccccc1[*:1] Fc1ccc2cc(C[NH2+]C[C@@H]3COCCO3)c(nc2c1)OC[*:1]
O=C(NCCc1ccccc1F)c1cn2cccnc2n1 Fc1ccccc1[*:1] O=C(NCC[*:1])c1cn2cccnc2n1
CCCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(O)c1)Nc1ccccc1-2 CCCS[*:1] COc1ccc(cc1O)[C@@H]1Nc2ccccc2-c2nnc(nc2O1)[*:1]
CCCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(O)c1)Nc1ccccc1-2 COc1ccc(cc1O)[*:1] CCCSc1nnc2-c3ccccc3N[C@@H](Oc2n1)[*:1]
CCCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(O)c1)Nc1ccccc1-2 CCC[*:1] COc1ccc(cc1O)[C@@H]1Nc2ccccc2-c2nnc(nc2O1)S[*:1]
CC1(O)CCC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC1(O)CCC(CC1)=NNc1ccc(cc1[N+](=O)[O-])[*:1]
CC1(O)CCC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC1(O)CCC(CC1)=NNc1ccc(cc1[*:1])[N+](=O)[O-]
CCCc1ccc([C@H](C)[NH2+][C@H](CO)c2ccccc2F)cc1 CCC[*:1] C[C@H]([NH2+][C@H](CO)c1ccccc1F)c1ccc(cc1)[*:1]
CCCc1ccc([C@H](C)[NH2+][C@H](CO)c2ccccc2F)cc1 Fc1ccccc1[*:1] CCCc1ccc(cc1)[C@H](C)[NH2+][C@H](CO)[*:1]
CC(C)Cc1ncc(CN2CCC[C@@H](c3nncn3C)C2)s1 CC(C)C[*:1] Cn1cnnc1[C@@H]1CCCN(Cc2cnc(s2)[*:1])C1
CC(C)Cc1ncc(CN2CCC[C@@H](c3nncn3C)C2)s1 Cn1cnnc1[*:1] CC(C)Cc1ncc(CN2CCC[C@@H](C2)[*:1])s1
CC(C)Cc1ncc(CN2CCC[C@@H](c3nncn3C)C2)s1 CC(C)[*:1] Cn1cnnc1[C@@H]1CCCN(Cc2cnc(C[*:1])s2)C1
O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)Nc1ccccc1Cl
O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 Clc1ccccc1[*:1] O=C(Nc1ccc(F)cc1F)c1ccc(cc1)S(=O)(=O)N[*:1]
COc1cc(C[NH2+]C[C@H](C(C)C)N2CCOCC2)cc2c1OCCO2 C1CN(CCO1)[*:1] COc1cc(cc2OCCOc12)C[NH2+]C[C@H](C(C)C)[*:1]
COc1cc(C[NH2+]C[C@H](C(C)C)N2CCOCC2)cc2c1OCCO2 CC(C)[*:1] COc1cc(cc2OCCOc12)C[NH2+]C[C@H](N1CCOCC1)[*:1]
CO[C@]1(C)C[C@@H](NC(=O)C(=O)Nc2ccc(-c3ncon3)cc2)C1(C)C c1nc(no1)[*:1] CO[C@]1(C)C[C@@H](NC(=O)C(=O)Nc2ccc(cc2)[*:1])C1(C)C
CC[C@@H](C)c1ccc(/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] CC[C@@H](C)c1ccc(cc1)/N=C/[C@@H]1C(=O)NC(=O)N(C1=O)[*:1]
CC[C@@H](C)c1ccc(/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 CC[C@@H](C)[*:1] COc1ccc(cc1)N1C(=O)NC(=O)[C@@H](/C=N/c2ccc(cc2)[*:1])C1=O
CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1C1CC1 Clc1cccc(c1)[*:1] CCn1c(nnc1C1CC1)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cccc(Cl)c1
C[C@@H](CNc1ccccc1)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H](CN[*:1])NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1
C[C@@H](CNc1ccccc1)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 c1ccc(cc1)NC[*:1] C[C@@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)[*:1]
C[C@@H](CNc1ccccc1)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CNc1ccccc1)NC(=O)[C@H]1CC(=O)N(C)[C@H]1[*:1]
C[C@@H](CNc1ccccc1)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 c1ccc(cc1)N[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1
CCC[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 CCC[*:1] CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 CC(C)(C)[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@H](NC(=O)O[*:1])C(C)C
CCC[C@@H]1CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CCO1 CC(C)[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@H](NC(=O)OC(C)(C)C)[*:1]
CN(C)C(=O)[C@]1(C)CN(C2CCN(S(C)(=O)=O)CC2)CCO1 CN(C)C(=O)[*:1] C[C@@]1(CN(CCO1)C1CCN(CC1)S(C)(=O)=O)[*:1]
C=CCN1C(=O)CS/C1=N\Nc1nnc(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] C=CCN1C(=O)CS/C1=N\Nc1nnc(-c2ccccc2)n1[*:1]
C=CCN1C(=O)CS/C1=N\Nc1nnc(-c2ccccc2)n1-c1ccccc1 C=CC[*:1] O=C1CS/C(=N\Nc2nnc(-c3ccccc3)n2-c2ccccc2)N1[*:1]
C=CCN1C(=O)CS/C1=N\Nc1nnc(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] C=CCN1C(=O)CS/C1=N\Nc1nnc(n1-c1ccccc1)[*:1]
O=C(CCC1OCCCO1)c1c2ccccc2cc2ccccc12 C1COC(C[*:1])OC1 O=C(C[*:1])c1c2ccccc2cc2ccccc12
O=C(CCC1OCCCO1)c1c2ccccc2cc2ccccc12 C1COC(OC1)[*:1] O=C(CC[*:1])c1c2ccccc2cc2ccccc12
Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CCO Fc1ccccc1[*:1] Cc1cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1CCO
Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CCO Fc1ccccc1C[*:1] Cc1cn2c3c(=O)n(c(=O)n(C)c3nc2n1CCO)[*:1]
Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CCO OCC[*:1] Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1[*:1]
O=C([C@@H]1CCCCO1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 c1ccc(cc1)N[*:1] O=C([C@@H]1CCCCO1)N1CCC[C@H](C1)c1nc(cc(n1)[*:1])-c1cccnc1
O=C([C@@H]1CCCCO1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCCO1)N1CCC[C@H](C1)c1nc(cc(n1)-c1cccnc1)N[*:1]
O=C([C@@H]1CCCCO1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 c1cncc(c1)[*:1] O=C([C@@H]1CCCCO1)N1CCC[C@H](C1)c1nc(cc(n1)[*:1])Nc1ccccc1
Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCCc4ccccc4)c(C)c3cc12 c1ccc(cc1)CC[*:1] Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[*:1])c(C)c3cc12
Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCCc4ccccc4)c(C)c3cc12 c1ccc(cc1)C[*:1] Cc1coc2c(C)c3oc(=O)c(CCC(=O)NC[*:1])c(C)c3cc12
Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCCc4ccccc4)c(C)c3cc12 c1ccc(cc1)[*:1] Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCC[*:1])c(C)c3cc12
OC[C@H](O)CSc1nc(Cl)ncc1Br OC[C@H](O)[*:1] Clc1ncc(Br)c(n1)SC[*:1]
Cc1ccccc1NC(=O)c1c(C)nc(Nc2nc3ccccc3o2)nc1C Cc1ccccc1[*:1] Cc1nc(nc(C)c1C(=O)N[*:1])Nc1nc2ccccc2o1
Cc1ccccc1NC(=O)c1c(C)nc(Nc2nc3ccccc3o2)nc1C c1ccc2oc(nc2c1)[*:1] Cc1ccccc1NC(=O)c1c(C)nc(nc1C)N[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@@]1(C)CCCO1 C1CC[C@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)[C@@]1(C)CCCO1
CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@@]1(C)CCCO1 CC(C)[*:1] C[C@@]1(CCCO1)C(=O)N(C[C@@H]1CCCCO1)[*:1]
O=C1C=C/C(=C\[NH2+]Cc2ccc(C(=O)[O-])cc2)C=C1[N+](=O)[O-] O=C([O-])[*:1] O=C1C=C/C(C=C1[N+](=O)[O-])=C\[NH2+]Cc1ccc(cc1)[*:1]
O=C1C=C/C(=C\[NH2+]Cc2ccc(C(=O)[O-])cc2)C=C1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C1C=C/C(C=C1[*:1])=C\[NH2+]Cc1ccc(cc1)C(=O)[O-]
O=C(COC(=O)c1c(F)cccc1F)NC(=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(COC(=O)c1c(F)cccc1F)NC(=O)N[*:1]
O=[N+]([O-])c1cccc(OS(=O)(=O)c2ccc(F)cc2Cl)c1 O=[N+]([O-])[*:1] O=S(=O)(Oc1cccc(c1)[*:1])c1ccc(F)cc1Cl
C[NH2+]Cc1cccc(S(=O)(=O)NCc2sccc2C)c1 Cc1ccsc1[*:1] C[NH2+]Cc1cccc(c1)S(=O)(=O)NC[*:1]
Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H](O)C1CCOCC1 CC(C)[*:1] Cc1nc(sc1[C@@H](C)[NH2+]C[C@@H](O)C1CCOCC1)[*:1]
Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H](O)C1CCOCC1 C1CC(CCO1)[*:1] Cc1nc(sc1[C@@H](C)[NH2+]C[C@@H](O)[*:1])C(C)C
COC(=O)c1nn(C[NH+](C)Cc2ccc(Cl)cc2)c(=O)c2noc(C)c12 Clc1ccc(cc1)[*:1] COC(=O)c1nn(C[NH+](C)C[*:1])c(=O)c2noc(C)c12
COC(=O)c1nn(C[NH+](C)Cc2ccc(Cl)cc2)c(=O)c2noc(C)c12 COC(=O)[*:1] Cc1onc2c(=O)n(C[NH+](C)Cc3ccc(Cl)cc3)nc(c12)[*:1]
COC(=O)c1nn(C[NH+](C)Cc2ccc(Cl)cc2)c(=O)c2noc(C)c12 Clc1ccc(cc1)C[*:1] COC(=O)c1nn(C[NH+](C)[*:1])c(=O)c2noc(C)c12
CCOCC(=O)CSC1CCCC1 CCOC[*:1] O=C(CSC1CCCC1)[*:1]
CCOCC(=O)CSC1CCCC1 CCO[*:1] O=C(CSC1CCCC1)C[*:1]
COc1cccc(C(=O)Nc2nnc(-c3ccc(C)c(C)c3)o2)c1OC Cc1ccc(cc1C)[*:1] COc1cccc(C(=O)Nc2nnc(o2)[*:1])c1OC
CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C)o1 CCOc1ccccc1[*:1] Cc1ccc(o1)[C@@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)[*:1]
CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C)o1 CCO[*:1] Cc1ccc(o1)[C@@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C)o1 Cc1ccc(o1)[*:1] CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2[*:1]
CCOc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc(Br)c1OC O=C([O-])[*:1] CCOc1cc(/C=C(\C[*:1])c2nc3ccccc3o2)cc(Br)c1OC
CCOc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc(Br)c1OC CCO[*:1] COc1c(Br)cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc1[*:1]
CCOc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc(Br)c1OC c1ccc2oc(nc2c1)[*:1] CCOc1cc(C=C(CC(=O)[O-])[*:1])cc(Br)c1OC
CCOCC(=O)Nc1cccc2ncccc12 CCOC[*:1] O=C(Nc1cccc2ncccc12)[*:1]
CCOCC(=O)Nc1cccc2ncccc12 CCO[*:1] O=C(C[*:1])Nc1cccc2ncccc12
CC(C)C[C@H]1C[NH2+]CC[C@@H]1c1cccc2c1OC(C)(C)C2 CC(C)[*:1] CC1(C)Cc2cccc(c2O1)[C@H]1CC[NH2+]C[C@@H]1C[*:1]
CC(C)C[C@H]1C[NH2+]CC[C@@H]1c1cccc2c1OC(C)(C)C2 CC(C)C[*:1] CC1(C)Cc2cccc(c2O1)[C@H]1CC[NH2+]C[C@@H]1[*:1]
N#Cc1cc([N+](=O)[O-])ccc1NCCc1csc(N2CCCC2)n1 C1CCN(C1)[*:1] N#Cc1cc(ccc1NCCc1csc(n1)[*:1])[N+](=O)[O-]
N#Cc1cc([N+](=O)[O-])ccc1NCCc1csc(N2CCCC2)n1 O=[N+]([O-])[*:1] N#Cc1cc(ccc1NCCc1csc(n1)N1CCCC1)[*:1]
C[C@@H]1COCCN1Cc1ccc(C(=O)NN)cn1 NNC(=O)[*:1] C[C@@H]1COCCN1Cc1ccc(cn1)[*:1]
C[C@@H]1CCc2c(sc3nc(CCC(=O)Oc4ccccc4)[nH]c(=O)c23)C1 c1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(CCC(=O)O[*:1])[nH]c(=O)c21
C=CCOc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 C=CCO[*:1] O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
C=CCOc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 O=C([O-])[*:1] C=CCOc1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
C=CCOc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 C=CC[*:1] O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(cc1)O[*:1]
Cc1ccc(C(=O)N2CCC[C@H]2c2nc(C3CC3)no2)cc1C C1CC1[*:1] Cc1ccc(cc1C)C(=O)N1CCC[C@H]1c1nc(no1)[*:1]
Cc1ccc(-n2c(SCC(=O)N[C@@H](C)c3ccc(F)cc3)nnc2-c2ccncc2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1c(nnc1-c1ccncc1)SCC(=O)N[C@@H](C)[*:1]
Cc1ccc(-n2c(SCC(=O)N[C@@H](C)c3ccc(F)cc3)nnc2-c2ccncc2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](NC(=O)CSc1nnc(-c2ccncc2)n1[*:1])c1ccc(F)cc1
Cc1ccc(-n2c(SCC(=O)N[C@@H](C)c3ccc(F)cc3)nnc2-c2ccncc2)cc1C c1cc(ccn1)[*:1] Cc1ccc(cc1C)-n1c(nnc1[*:1])SCC(=O)N[C@@H](C)c1ccc(F)cc1
COc1ccc([C@@H](C)[C@H](C)N[C@@H](CO)c2cc(F)c(F)c(F)c2)cc1 COc1ccc(cc1)[*:1] C[C@H](N[C@@H](CO)c1cc(F)c(F)c(F)c1)[C@H](C)[*:1]
O=C1C[C@@H](C(=O)N2CCCCC[C@H]2c2ccncc2)CN1CC1CC1 C1CC1C[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCCCC[C@H]1c1ccncc1
O=C1C[C@@H](C(=O)N2CCCCC[C@H]2c2ccncc2)CN1CC1CC1 C1CC1[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCCCC[C@H]1c1ccncc1
O=C1C[C@@H](C(=O)N2CCCCC[C@H]2c2ccncc2)CN1CC1CC1 c1cc(ccn1)[*:1] O=C1C[C@H](CN1CC1CC1)C(=O)N1CCCCC[C@@H]1[*:1]
Cc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nn12 O=[N+]([O-])c1ccc(o1)[*:1] Cc1nnc2sc(nn12)-c1cccc(c1)NC(=O)[*:1]
Cc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nn12 O=[N+]([O-])[*:1] Cc1nnc2sc(nn12)-c1cccc(c1)NC(=O)c1ccc(o1)[*:1]
COc1ccc(C(=O)N2CC=C(c3cccc(C)c3)CC2)c(O)c1 Cc1cccc(c1)[*:1] COc1ccc(C(=O)N2CC=C(CC2)[*:1])c(O)c1
CCn1c(CN[C@H](CC(C)C)C(=O)NC)nc2ccccc21 CNC(=O)[*:1] CCn1c(CN[C@H](CC(C)C)[*:1])nc2ccccc21
CCn1c(CN[C@H](CC(C)C)C(=O)NC)nc2ccccc21 CC(C)[*:1] CCn1c(CN[C@H](C[*:1])C(=O)NC)nc2ccccc21
CCn1c(CN[C@H](CC(C)C)C(=O)NC)nc2ccccc21 CC(C)C[*:1] CCn1c(CN[C@H](C(=O)NC)[*:1])nc2ccccc21
Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(OCc4csc(C)n4)c3)CC2)c(C)c1 Cc1nc(cs1)C[*:1] Cc1ccc(C(=O)C2CCN(CC2)C(=O)c2cccc(c2)O[*:1])c(C)c1
Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(OCc4csc(C)n4)c3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nc(cs1)COc1cccc(c1)C(=O)N1CCC(CC1)C(=O)[*:1]
Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(OCc4csc(C)n4)c3)CC2)c(C)c1 Cc1nc(cs1)CO[*:1] Cc1ccc(C(=O)C2CCN(CC2)C(=O)c2cccc(c2)[*:1])c(C)c1
Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(OCc4csc(C)n4)c3)CC2)c(C)c1 Cc1nc(cs1)[*:1] Cc1ccc(C(=O)C2CCN(CC2)C(=O)c2cccc(c2)OC[*:1])c(C)c1
Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(OCc4csc(C)n4)c3)CC2)c(C)c1 Cc1ccc(C(=O)[*:1])c(C)c1 Cc1nc(cs1)COc1cccc(c1)C(=O)N1CCC(CC1)[*:1]
CC(C)Cc1nnc(NC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)s1 CS(=O)(=O)[*:1] CC(C)Cc1nnc(NC(=O)N[C@@H]2CCC[C@@H](C2)[*:1])s1
CC(C)Cc1nnc(NC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)s1 CC(C)C[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)NC(=O)Nc1nnc(s1)[*:1]
CC(C)Cc1nnc(NC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)s1 CC(C)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)NC(=O)Nc1nnc(C[*:1])s1
Nn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1Br c1ccc2sc(nc2c1)[*:1] Nn1c(nnc1-c1ccccc1Br)SCC(=O)N[*:1]
Nn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1Br Brc1ccccc1[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1nc2ccccc2s1
C[C@H](O)CN(C)C(=O)NCc1ncccc1F C[C@H](O)C[*:1] CN(C(=O)NCc1ncccc1F)[*:1]
C[C@H](O)CN(C)C(=O)NCc1ncccc1F C[C@H](O)[*:1] CN(C[*:1])C(=O)NCc1ncccc1F
COC(=O)CN(CC#N)Cc1nc(N)c2c(C)c(C)sc2n1 COC(=O)C[*:1] Cc1sc2nc(CN(CC#N)[*:1])nc(N)c2c1C
COC(=O)CN(CC#N)Cc1nc(N)c2c(C)c(C)sc2n1 N#CC[*:1] COC(=O)CN(Cc1nc(N)c2c(C)c(C)sc2n1)[*:1]
COC(=O)CN(CC#N)Cc1nc(N)c2c(C)c(C)sc2n1 COC(=O)[*:1] Cc1sc2nc(CN(CC#N)C[*:1])nc(N)c2c1C
Cc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=S)Nc2cn(C)nc2C)cc1 Cc1nn(C)cc1[*:1] Cc1ccc(cc1)[C@@H]1C[C@@H]1C(=O)NNC(=S)N[*:1]
Cc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=S)Nc2cn(C)nc2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)cc1NC(=S)NNC(=O)[C@H]1C[C@H]1[*:1]
CCC[C@H](CS)COc1ccc2c(c1)CCC(=O)N2 CCC[*:1] O=C1CCc2cc(ccc2N1)OC[C@@H](CS)[*:1]
O=C(Nc1cccc(Br)c1)C1CCN(C(=O)NC2CC2)CC1 C1CC1[*:1] O=C(Nc1cccc(Br)c1)C1CCN(CC1)C(=O)N[*:1]
O=C(Nc1cccc(Br)c1)C1CCN(C(=O)NC2CC2)CC1 Brc1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)NC1CC1
CN(CC[C@H]1CCCCO1)C(=O)c1ccc2c(c1)OCO2 C1CC[C@@H](OC1)[*:1] CN(CC[*:1])C(=O)c1ccc2OCOc2c1
CN(CC[C@H]1CCCCO1)C(=O)c1ccc2c(c1)OCO2 C1CC[C@H](C[*:1])OC1 CN(C[*:1])C(=O)c1ccc2OCOc2c1
CC(=O)N(c1nc(CSCC(C)C)cs1)c1cccc(C)c1C CC(C)CSC[*:1] CC(=O)N(c1nc(cs1)[*:1])c1cccc(C)c1C
CC(=O)N(c1nc(CSCC(C)C)cs1)c1cccc(C)c1C CC(C)[*:1] CC(=O)N(c1nc(cs1)CSC[*:1])c1cccc(C)c1C
CC(=O)N(c1nc(CSCC(C)C)cs1)c1cccc(C)c1C CC(C)CS[*:1] CC(=O)N(c1nc(cs1)C[*:1])c1cccc(C)c1C
CC(=O)N(c1nc(CSCC(C)C)cs1)c1cccc(C)c1C CC(C)C[*:1] CC(=O)N(c1nc(cs1)CS[*:1])c1cccc(C)c1C
c1ccc(-c2nc(CN3CC(c4nc(-c5cnccn5)no4)C3)cs2)cc1 c1cnc(cn1)[*:1] c1ccc(cc1)-c1nc(cs1)CN1CC(C1)c1nc(no1)[*:1]
c1ccc(-c2nc(CN3CC(c4nc(-c5cnccn5)no4)C3)cs2)cc1 c1ccc(cc1)[*:1] c1cnc(cn1)-c1noc(n1)C1CN(Cc2csc(n2)[*:1])C1
O=S(=O)(CCO)[N-]c1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] O=S(=O)(CCO)[N-]c1cc(ccc1Cl)[*:1]
O=S(=O)(CCO)[N-]c1cc(C(F)(F)F)ccc1Cl OCC[*:1] O=S(=O)([N-]c1cc(ccc1Cl)C(F)(F)F)[*:1]
CCn1c(=S)[nH]c2cc(C(=O)N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)ccc21 Fc1ccc(cc1)[*:1] CCn1c(=S)[nH]c2cc(ccc21)C(=O)N1CCN(CC1)C(c1ccc(F)cc1)[*:1]
Cc1csc(/N=C2/S/C(=C3\C(=O)Nc4ccccc43)C(=O)N2C)n1 Cc1csc(n1)[*:1] CN1C(=O)/C(SC1=N[*:1])=C1/C(=O)Nc2ccccc21
CO[C@H]1CCCN(C(=O)c2cccc(NC(=O)NC(C)C)c2)C1 CC(C)[*:1] CO[C@H]1CCCN(C1)C(=O)c1cccc(c1)NC(=O)N[*:1]
CO[C@H]1CCCN(C(=O)c2cccc(NC(=O)NC(C)C)c2)C1 CC(C)NC(=O)N[*:1] CO[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
Cc1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])c(C)n1 O=C([O-])[*:1] Cc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2[*:1])c(C)n1
CC(C)Cn1c(S[C@@H]2C[C@H](C)OC2=O)nnc1-c1ccco1 c1coc(c1)[*:1] CC(C)Cn1c(nnc1[*:1])S[C@@H]1C[C@H](C)OC1=O
CC(C)Cn1c(S[C@@H]2C[C@H](C)OC2=O)nnc1-c1ccco1 CC(C)C[*:1] C[C@H]1C[C@@H](Sc2nnc(-c3ccco3)n2[*:1])C(=O)O1
CC(C)Cn1c(S[C@@H]2C[C@H](C)OC2=O)nnc1-c1ccco1 CC(C)[*:1] C[C@H]1C[C@@H](Sc2nnc(-c3ccco3)n2C[*:1])C(=O)O1
COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(C)=O)nn32)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=Nc2nc(nn21)NC(C)=O)[*:1]
COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(C)=O)nn32)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1nc2N=C(C[C@@H](n2n1)[*:1])c1ccc(Cl)cc1
COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(C)=O)nn32)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@H]1CC(=Nc2nc(nn21)[*:1])c1ccc(Cl)cc1
C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC=C(C2=c3ccccc3=[NH+]C2)CC1 Brc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N1CC=C(CC1)C1C[NH+]=c2ccccc2=1
C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC=C(C2=c3ccccc3=[NH+]C2)CC1 Brc1ccc(cc1)O[*:1] C[C@@H](C(=O)N1CC=C(CC1)C1C[NH+]=c2ccccc2=1)[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 Brc1cccc(c1)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1c(/C=C(/C#N)C(=O)NC[C@H](C)Oc2ccc(F)cc2)cc(C#N)n1C Fc1ccc(cc1)[*:1] Cc1c(/C=C(/C#N)C(=O)NC[C@H](C)O[*:1])cc(C#N)n1C
Cc1c(/C=C(/C#N)C(=O)NC[C@H](C)Oc2ccc(F)cc2)cc(C#N)n1C Fc1ccc(cc1)O[*:1] Cc1c(/C=C(/C#N)C(=O)NC[C@H](C)[*:1])cc(C#N)n1C
Cc1c(/C=C(/C#N)C(=O)NC[C@H](C)Oc2ccc(F)cc2)cc(C#N)n1C Cc1c(cc(C#N)n1C)[*:1] C[C@@H](CNC(=O)C(C#N)=C[*:1])Oc1ccc(F)cc1
COCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 COCCNC(=O)[*:1] O=S(=O)(c1ccc(Cl)cc1)C1(CCCC1)[*:1]
COCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 COCC[*:1] O=C(N[*:1])C1(CCCC1)S(=O)(=O)c1ccc(Cl)cc1
COCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)[*:1] COCCNC(=O)C1(CCCC1)S(=O)(=O)[*:1]
COCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 COC[*:1] O=C(NC[*:1])C1(CCCC1)S(=O)(=O)c1ccc(Cl)cc1
COC(=O)c1ccc2c(c1)C[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1)O2 COC(=O)[*:1] C[C@@H](Oc1ccccc1)C(=O)NC[C@@H]1Cc2cc(ccc2O1)[*:1]
COC(=O)c1ccc2c(c1)C[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1)O2 c1ccc(cc1)[*:1] COC(=O)c1ccc2O[C@H](CNC(=O)[C@@H](C)O[*:1])Cc2c1
COC(=O)c1ccc2c(c1)C[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1)O2 c1ccc(cc1)O[*:1] COC(=O)c1ccc2O[C@H](CNC(=O)[C@@H](C)[*:1])Cc2c1
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(C)Cc1nnc(C2CC2)n1C C1CC1[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(C)Cc1nnc(n1C)[*:1]
CC(C)[C@H](C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 CC(C)[*:1] C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]([NH+]1CCCC1)[*:1]
O=C(NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(NCCCn1nc(ccc1=O)-c1ccc(Cl)cc1)N[*:1]
O=C(NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] O=C(NCCCn1nc(ccc1=O)[*:1])Nc1ccc2OCOc2c1
CC(C)[C@@H]([NH3+])CNC(=O)[C@@]1(C)CCCO1 CC(C)[*:1] C[C@@]1(CCCO1)C(=O)NC[C@H]([NH3+])[*:1]
COCCN1C(=O)NC(=N)[C@H]1C(C)C CC(C)[*:1] COCCN1C(=O)NC(=N)[C@@H]1[*:1]
COCCN1C(=O)NC(=N)[C@H]1C(C)C COCC[*:1] CC(C)[C@@H]1C(=N)NC(=O)N1[*:1]
COCCN1C(=O)NC(=N)[C@H]1C(C)C COC[*:1] CC(C)[C@@H]1C(=N)NC(=O)N1C[*:1]
O=c1cc(CSc2ncc[nH]2)c2cc(Cl)c(O)cc2o1 c1c[nH]c(n1)S[*:1] O=c1cc(C[*:1])c2cc(Cl)c(O)cc2o1
O=c1cc(CSc2ncc[nH]2)c2cc(Cl)c(O)cc2o1 c1c[nH]c(n1)[*:1] O=c1cc(CS[*:1])c2cc(Cl)c(O)cc2o1
O=C(O[C@H]1C=C(c2ccc(Cl)cc2)CC1)[C@@H]1CCc2cn[nH]c2C1 Clc1ccc(cc1)[*:1] O=C(O[C@H]1C=C(CC1)[*:1])[C@@H]1CCc2cn[nH]c2C1
Cc1cc(NC(=O)COC(=O)c2sc(-c3ccccc3)nc2C)no1 Cc1cc(no1)[*:1] Cc1nc(sc1C(=O)OCC(=O)N[*:1])-c1ccccc1
Cc1cc(NC(=O)COC(=O)c2sc(-c3ccccc3)nc2C)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)COC(=O)c1sc(nc1C)[*:1]
CC(C)=CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 CC(C)=C[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)[*:1]
CC(C)=CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 CC(C)=CC(=O)N[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)C[*:1]
N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)o1 c1ccc(cc1)[*:1] N#Cc1ccccc1OCc1ccc(o1)C(=O)Nc1nc(cs1)[*:1]
N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)o1 N#Cc1ccccc1[*:1] O=C(Nc1nc(cs1)-c1ccccc1)c1ccc(CO[*:1])o1
N#Cc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)o1 N#Cc1ccccc1O[*:1] O=C(Nc1nc(cs1)-c1ccccc1)c1ccc(C[*:1])o1
COC(=O)c1cccc(N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 COC(=O)[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(n1)[*:1]
COC(=O)c1cccc(N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 Clc1ccc(cc1Cl)[*:1] COC(=O)c1cccc(n1)N(C)CC(=O)N[*:1]
CC(C)Sc1ccccc1C(=O)NC[C@@H](C)C#N CC(C)S[*:1] C[C@@H](C#N)CNC(=O)c1ccccc1[*:1]
CC(C)Sc1ccccc1C(=O)NC[C@@H](C)C#N CC(C)[*:1] C[C@@H](C#N)CNC(=O)c1ccccc1S[*:1]
CC(C)Sc1ccccc1C(=O)NC[C@@H](C)C#N C[C@@H](C#N)[*:1] CC(C)Sc1ccccc1C(=O)NC[*:1]
CC(C)Sc1ccccc1C(=O)NC[C@@H](C)C#N C[C@@H](C#N)C[*:1] CC(C)Sc1ccccc1C(=O)N[*:1]
C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc(C2CC2)n(-c2ccccc2)n1 FC(F)(F)[*:1] C[C@@H](c1ccc(cc1)O[*:1])S(=O)(=O)c1nc(C2CC2)n(n1)-c1ccccc1
C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc(C2CC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](c1ccc(cc1)OC(F)(F)F)S(=O)(=O)c1nc(C2CC2)n(n1)[*:1]
C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc(C2CC2)n(-c2ccccc2)n1 C1CC1[*:1] C[C@@H](c1ccc(cc1)OC(F)(F)F)S(=O)(=O)c1nc(n(n1)-c1ccccc1)[*:1]
C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc(C2CC2)n(-c2ccccc2)n1 FC(F)(F)O[*:1] C[C@@H](c1ccc(cc1)[*:1])S(=O)(=O)c1nc(C2CC2)n(n1)-c1ccccc1
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 FC(F)(F)[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)Nc1nc(cs1)C[NH+]1C[C@@H](C)C[C@H](C)C1)[*:1]
O=C(COc1ccccc1)NCc1nnc2n1-c1ccccc1CC2 c1ccc(cc1)[*:1] O=C(CO[*:1])NCc1nnc2CCc3ccccc3-n21
O=C(COc1ccccc1)NCc1nnc2n1-c1ccccc1CC2 c1ccc(cc1)O[*:1] O=C(C[*:1])NCc1nnc2CCc3ccccc3-n21
O=C(COc1ccccc1)NCc1nnc2n1-c1ccccc1CC2 c1ccc(cc1)OC[*:1] O=C(NCc1nnc2CCc3ccccc3-n21)[*:1]
Nc1ccc2c(S(=O)(=O)Nc3ccccn3)cccc2c1 c1ccc(nc1)[*:1] Nc1ccc2c(cccc2c1)S(=O)(=O)N[*:1]
Cc1nc(N2CCN(c3ccccc3C#N)CC2)c2cc[nH]c2n1 N#Cc1ccccc1[*:1] Cc1nc(c2cc[nH]c2n1)N1CCN(CC1)[*:1]
Cc1cc2c(=O)n(CC(=O)N3CCC[C@H](C(F)(F)F)C3)cnc2s1 FC(F)(F)[*:1] Cc1cc2c(=O)n(cnc2s1)CC(=O)N1CCC[C@H](C1)[*:1]
O=C(COC(=O)c1cccs1)NCc1ccc(Cl)cc1 c1csc(c1)[*:1] O=C(COC(=O)[*:1])NCc1ccc(Cl)cc1
COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cccc2cc(C)cnc12 CC(=O)N[*:1] COc1ccc(cc1NS(=O)(=O)c1cccc2cc(C)cnc12)[*:1]
CC1CCC(NS(=O)(=O)CC(=O)Nc2cccc(OC3CCCC3)c2)CC1 CC1CCC(CC1)[*:1] O=C(CS(=O)(=O)N[*:1])Nc1cccc(c1)OC1CCCC1
CC1CCC(NS(=O)(=O)CC(=O)Nc2cccc(OC3CCCC3)c2)CC1 C1CCC(C1)[*:1] CC1CCC(CC1)NS(=O)(=O)CC(=O)Nc1cccc(c1)O[*:1]
CC1CCC(NS(=O)(=O)CC(=O)Nc2cccc(OC3CCCC3)c2)CC1 C1CCC(C1)O[*:1] CC1CCC(CC1)NS(=O)(=O)CC(=O)Nc1cccc(c1)[*:1]
COC(=O)[C@H](CC(C)C)n1c([C@@H](C)Cl)nc2cnccc21 CC(C)C[*:1] COC(=O)[C@H](n1c(nc2cnccc21)[C@@H](C)Cl)[*:1]
COC(=O)[C@H](CC(C)C)n1c([C@@H](C)Cl)nc2cnccc21 COC(=O)[*:1] CC(C)C[C@H](n1c(nc2cnccc21)[C@@H](C)Cl)[*:1]
COC(=O)[C@H](CC(C)C)n1c([C@@H](C)Cl)nc2cnccc21 CC(C)[*:1] COC(=O)[C@H](C[*:1])n1c(nc2cnccc21)[C@@H](C)Cl
COC(=O)[C@H](CC(C)C)n1c([C@@H](C)Cl)nc2cnccc21 C[C@@H](Cl)[*:1] COC(=O)[C@H](CC(C)C)n1c(nc2cnccc21)[*:1]
C/C(=N\[N-]S(=O)(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 Brc1ccc(cc1)[*:1] C/C(=N\[N-]S(=O)(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
C/C(=N\[N-]S(=O)(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C(=N\[N-]S(=O)(=O)c1ccc(Br)cc1)c1cccc(c1)[*:1]
C[C@H]1CN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C[C@H](C)O1 Fc1ccc(cc1F)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)C1CN(C1)C(=O)[*:1]
CSCC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 c1cncc(c1)CC[*:1] CSCC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(C2)[*:1])CC1
CSCC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 CSC[*:1] [NH3+][C@@H](C[*:1])C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1
CSCC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 c1cncc(c1)[*:1] CSCC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(CC[*:1])C2)CC1
CSCC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 CSCC[*:1] [NH3+][C@H](C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1)[*:1]
CSCC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 c1cncc(c1)C[*:1] CSCC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
O=c1[nH]c(NC[C@@H]2CCCO2)nc2nccc(-c3ccccc3)c12 c1ccc(cc1)[*:1] O=c1[nH]c(nc2nccc(c12)[*:1])NC[C@@H]1CCCO1
O=c1[nH]c(NC[C@@H]2CCCO2)nc2nccc(-c3ccccc3)c12 C1CO[C@@H](C1)[*:1] O=c1[nH]c(nc2nccc(-c3ccccc3)c12)NC[*:1]
COc1ccccc1-c1nnc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)o1 CC(C)S(=O)(=O)[*:1] COc1ccccc1-c1nnc(NC(=O)c2cccc(c2)[*:1])o1
COc1ccccc1-c1nnc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)o1 COc1ccccc1[*:1] CC(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1nnc(o1)[*:1]
COc1ccccc1-c1nnc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)o1 CC(C)[*:1] COc1ccccc1-c1nnc(NC(=O)c2cccc(c2)S(=O)(=O)[*:1])o1
Cc1c(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H](C[S@@](C)=O)c1ccccc1
Cc1c(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)cnn1C(C)C c1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@H](C[S@@](C)=O)[*:1]
Nc1c(Nc2ncc(C(F)(F)F)cc2Cl)nc[nH+]c1N1CCc2ccccc21 FC(F)(F)[*:1] Nc1c(nc[nH+]c1N1CCc2ccccc21)Nc1ncc(cc1Cl)[*:1]
Nc1c(Nc2ncc(C(F)(F)F)cc2Cl)nc[nH+]c1N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] Nc1c(nc[nH+]c1[*:1])Nc1ncc(cc1Cl)C(F)(F)F
Cc1ccc([C@H](C)NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@H](C)NC(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1ccc([C@H](C)NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc([C@H](C)NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)NC(=O)c1ccco1)[*:1]
Cc1ccc([C@H](C)NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 Cc1ccc(cc1)[C@H](C)[*:1] O=C(Nc1ccc(cc1)NC(=O)c1ccco1)N[*:1]
CC(C)c1ccc2c(c1)[C@@H]([NH2+]C(CO)CO)CCC2 CC(C)[*:1] OCC(CO)[NH2+][C@H]1CCCc2ccc(cc21)[*:1]
CC(C)c1noc(CCNC(=O)OC(C)(C)C)n1 CC(C)(C)[*:1] CC(C)c1noc(CCNC(=O)O[*:1])n1
CC(C)c1noc(CCNC(=O)OC(C)(C)C)n1 CC(C)[*:1] CC(C)(C)OC(=O)NCCc1nc(no1)[*:1]
Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NC4CCCCC4)ccc32)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)C(=O)N1CCCc2cc(ccc21)S(=O)(=O)N[*:1]
Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NC4CCCCC4)ccc32)cc1 Cc1ccc(cc1)[*:1] O=C(N1CCCc2cc(ccc21)S(=O)(=O)NC1CCCCC1)[*:1]
Cc1cc(N(C)Cc2cccs2)c([C@H](C)O)cc1F c1csc(c1)[*:1] Cc1cc(c(cc1F)[C@H](C)O)N(C)C[*:1]
Cc1cc(N(C)Cc2cccs2)c([C@H](C)O)cc1F C[C@H](O)[*:1] Cc1cc(c(cc1F)[*:1])N(C)Cc1cccs1
Cc1cc(N(C)Cc2cccs2)c([C@H](C)O)cc1F c1csc(c1)C[*:1] Cc1cc(c(cc1F)[C@H](C)O)N(C)[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 CC(C)(C)[*:1] O=C(COC(=O)C1CCN(CC1)C(=O)[*:1])Nc1ccc2OC3(CCCCC3)Oc2c1
CN(Cc1cccc(C#N)c1F)Cc1ncnn1C Cn1ncnc1[*:1] CN(Cc1cccc(C#N)c1F)C[*:1]
C#CCN(CC(=O)[O-])C(=O)c1snnc1CC O=C([O-])[*:1] C#CCN(C[*:1])C(=O)c1snnc1CC
C#CCN(CC(=O)[O-])C(=O)c1snnc1CC C#CC[*:1] CCc1nnsc1C(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)c1snnc1CC O=C([O-])C[*:1] C#CCN(C(=O)c1snnc1CC)[*:1]
CS[C@H]1CCC[C@H](NC(=O)NCc2ncc(C)s2)C1 Cc1cnc(s1)[*:1] CS[C@H]1CCC[C@@H](C1)NC(=O)NC[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1)[*:1]
Cc1nnc(S[C@@H](C)CCO)c(C(=O)[O-])c1C C[C@@H](CCO)[*:1] Cc1nnc(S[*:1])c(C(=O)[O-])c1C
Cc1nnc(S[C@@H](C)CCO)c(C(=O)[O-])c1C OCC[*:1] Cc1nnc(S[C@@H](C)[*:1])c(C(=O)[O-])c1C
Cc1nnc(S[C@@H](C)CCO)c(C(=O)[O-])c1C O=C([O-])[*:1] Cc1nnc(S[C@@H](C)CCO)c(c1C)[*:1]
N#C[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(F)cc1F FC(F)(F)[*:1] N#C[C@@H](NC(=O)[C@H]1CC(=O)N(C1)C[*:1])c1ccc(F)cc1F
N#C[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(F)cc1F FC(F)(F)C[*:1] N#C[C@@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccc(F)cc1F
N#C[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] N#C[C@@H](NC(=O)[C@H]1CC(=O)N(C1)CC(F)(F)F)[*:1]
O=C(Cc1cn2ccsc2n1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(Cc1cn2ccsc2n1)Nc1n[nH]c2ccc(cc12)[*:1]
O=C(Cc1cn2ccsc2n1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 c1cn2cc(nc2s1)[*:1] O=C(C[*:1])Nc1n[nH]c2ccc(cc12)[N+](=O)[O-]
CC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=c1ccc(nn1CCNS(=O)(=O)[*:1])-c1ccc(Cl)cc1
CC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCn1nc(ccc1=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 CC(=O)N[*:1] O=c1ccc(nn1CCNS(=O)(=O)c1ccc(cc1)[*:1])-c1ccc(Cl)cc1
COc1ccc(-c2c(C(=O)[O-])sc3c2N=C(O)C[C@H]3c2ccc(OC)c(OC)c2)cc1 COc1ccc(cc1OC)[*:1] COc1ccc(cc1)-c1c(sc2c1N=C(O)C[C@@H]2[*:1])C(=O)[O-]
COc1ccc(-c2c(C(=O)[O-])sc3c2N=C(O)C[C@H]3c2ccc(OC)c(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1CC(O)=Nc2c1sc(C(=O)[O-])c2[*:1]
COc1ccc(-c2c(C(=O)[O-])sc3c2N=C(O)C[C@H]3c2ccc(OC)c(OC)c2)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1c(sc2c1N=C(O)C[C@H]2c1ccc(OC)c(c1)OC)[*:1]
Cc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 CC(C)[*:1] Cc1ccc(Cl)cc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 CC(C)c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 Cc1ccc(Cl)cc1[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc2oc(nc2c1)[*:1]
COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1 Cc1ccc(cc1[N+](=O)[O-])[*:1] COc1ccc(cc1)-c1nc2cc(ccc2o1)NC(=O)[*:1]
COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1nc2cc(ccc2o1)NC(=O)c1ccc(C)c(c1)[*:1]
O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 Fc1ccc(cc1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)[*:1]
O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 Clc1ccc(cc1Cl)[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NO[C@@H]1CCCCO1)c1c[nH]c2ccc(Br)cc12 C1CC[C@H](OC1)[*:1] O=C(NO[*:1])c1c[nH]c2ccc(Br)cc12
CCN(C(=O)NCCc1nnc2n1CCC2)[C@H](C)C(C)C CC(C)[*:1] CCN(C(=O)NCCc1nnc2CCCn21)[C@H](C)[*:1]
CCN(C(=O)NCCc1nnc2n1CCC2)[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CCN(C(=O)NCCc1nnc2CCCn21)[*:1]
O=C(NCCC1=CCCCC1)Nc1nnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] O=C(NCCC1=CCCCC1)Nc1nnc(s1)[*:1]
O=C(NC1CN([C@@H]2CC[NH2+]C2)C1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CN(C1)[C@@H]1CC[NH2+]C1)OC[*:1]
CN(CCN(C)S(=O)(=O)c1ccc(CC#N)cc1)c1ccccc1 CN(c1ccccc1)[*:1] CN(CC[*:1])S(=O)(=O)c1ccc(cc1)CC#N
CN(CCN(C)S(=O)(=O)c1ccc(CC#N)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCN(C)[*:1])S(=O)(=O)c1ccc(cc1)CC#N
CN(CCN(C)S(=O)(=O)c1ccc(CC#N)cc1)c1ccccc1 N#CC[*:1] CN(CCN(C)S(=O)(=O)c1ccc(cc1)[*:1])c1ccccc1
CC1(C)C[C@H]([NH2+]C(C)(C)C(N)=O)C(C)(C)O1 NC(=O)[*:1] CC1(C)C[C@H]([NH2+]C(C)(C)[*:1])C(C)(C)O1
CC[C@@H]1C[C@](O)(COC)CCO1 COC[*:1] CC[C@@H]1C[C@](O)(CCO1)[*:1]
COc1ccc(C(=O)NC(C)(C)C)cc1I CC(C)(C)[*:1] COc1ccc(cc1I)C(=O)N[*:1]
Cn1c(=O)oc2cc(NC(=O)NCc3cccc(C#N)c3)ccc21 N#Cc1cccc(c1)[*:1] Cn1c(=O)oc2cc(ccc21)NC(=O)NC[*:1]
O=[N+]([O-])c1c(NCCNS(=O)(=O)c2ccccc2)nc2ccccn12 c1ccc(cc1)[*:1] O=[N+]([O-])c1c(nc2ccccn12)NCCNS(=O)(=O)[*:1]
O=[N+]([O-])c1c(NCCNS(=O)(=O)c2ccccc2)nc2ccccn12 O=[N+]([O-])[*:1] O=S(=O)(NCCNc1nc2ccccn2c1[*:1])c1ccccc1
Cc1ccc([C@@H](C)S)s1 C[C@@H](S)[*:1] Cc1ccc(s1)[*:1]
O=C(c1scnc1C1CC1)N1CCC[C@@H](n2cccn2)C1 C1CC1[*:1] O=C(c1scnc1[*:1])N1CCC[C@H](C1)n1cccn1
O=C(c1scnc1C1CC1)N1CCC[C@@H](n2cccn2)C1 c1cnn(c1)[*:1] O=C(c1scnc1C1CC1)N1CCC[C@@H](C1)[*:1]
Cc1csc(SCc2cc(=O)oc3cc(C)c(C)cc23)n1 Cc1csc(n1)S[*:1] Cc1cc2oc(=O)cc(C[*:1])c2cc1C
Cc1csc(SCc2cc(=O)oc3cc(C)c(C)cc23)n1 Cc1csc(n1)[*:1] Cc1cc2oc(=O)cc(CS[*:1])c2cc1C
CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)ccc21 Fc1cccc(c1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[C@@H](c1nccn1C)[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)ccc21 Cn1ccnc1[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[C@@H](c1cccc(F)c1)[*:1]
O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1CCc1ccccc1 Brc1ccc(cc1)[*:1] O=c1c2cnn(c2ncn1CCc1ccccc1)[*:1]
O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1[*:1]
O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1CCc1ccccc1 c1ccc(cc1)[*:1] O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1CC[*:1]
O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1CCc1ccccc1 c1ccc(cc1)C[*:1] O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1C[*:1]
CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 CCN(CC)C(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N1CCC[C@@H]1[*:1]
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1oc2ccccc2c1C[NH+](C)C c1ccc(cc1)[*:1] C[C@@H](CC(C)(C)[*:1])NC(=O)c1oc2ccccc2c1C[NH+](C)C
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1oc2ccccc2c1C[NH+](C)C CC(C)(c1ccccc1)[*:1] C[C@@H](C[*:1])NC(=O)c1oc2ccccc2c1C[NH+](C)C
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCC(CC2)c2nc3ccccc3s2)C1=O)[*:1]
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)C1=O c1ccc2sc(nc2c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCC(CC2)[*:1])C1=O)c1ccccc1
CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1sc(C)nc1[*:1]
Cc1ccccc1Cn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(C)c(C)n23)n(C)c1=O Cc1ccccc1C[*:1] Cc1c(C)n2c3c(=O)n(c(=O)n(C)c3nc2n1C[C@H]1CCCO1)[*:1]
Cc1ccccc1Cn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(C)c(C)n23)n(C)c1=O Cc1ccccc1[*:1] Cc1c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1C[C@H]1CCCO1
CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCC(=O)N1C CC(C)=C[*:1] C[C@@H](CC[*:1])[NH2+]C[C@@H]1CCC(=O)N1C
CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCC(=O)N1C CC(C)=CC[*:1] C[C@@H](C[*:1])[NH2+]C[C@@H]1CCC(=O)N1C
O=C(NCC#Cc1ccccc1)NCc1cccc(CN2CCCC2=O)c1 C(#Cc1ccccc1)C[*:1] O=C(NCc1cccc(c1)CN1CCCC1=O)N[*:1]
O=C(NCC#Cc1ccccc1)NCc1cccc(CN2CCCC2=O)c1 c1ccc(cc1)[*:1] O=C(NCC#C[*:1])NCc1cccc(c1)CN1CCCC1=O
O=C(NCC#Cc1ccccc1)NCc1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] O=C(NCC#Cc1ccccc1)NCc1cccc(c1)[*:1]
O=C(NCC#Cc1ccccc1)NCc1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(NCC#Cc1ccccc1)NCc1cccc(c1)C[*:1]
O=C(NCC#Cc1ccccc1)NCc1cccc(CN2CCCC2=O)c1 C(#C[*:1])c1ccccc1 O=C(NCc1cccc(c1)CN1CCCC1=O)NC[*:1]
O=c1[nH]c(Cc2nccn2Cc2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] O=c1[nH]c(Cc2nccn2C[*:1])nc2ccccc12
O=c1[nH]c(Cc2nccn2Cc2ccccc2)nc2ccccc12 c1ccc(cc1)C[*:1] O=c1[nH]c(Cc2nccn2[*:1])nc2ccccc12
C[NH+](Cc1ccc(CCC(C)(C)O)cc1)Cc1cccnc1 c1cncc(c1)[*:1] C[NH+](Cc1ccc(cc1)CCC(C)(C)O)C[*:1]
C[NH+](Cc1ccc(CCC(C)(C)O)cc1)Cc1cccnc1 c1cncc(c1)C[*:1] C[NH+](Cc1ccc(cc1)CCC(C)(C)O)[*:1]
C[NH+](Cc1ccc(CCC(C)(C)O)cc1)Cc1cccnc1 CC(C)(O)[*:1] C[NH+](Cc1ccc(cc1)CC[*:1])Cc1cccnc1
C[NH+](Cc1ccc(CCC(C)(C)O)cc1)Cc1cccnc1 CC(C)(O)C[*:1] C[NH+](Cc1ccc(cc1)C[*:1])Cc1cccnc1
C[NH+](Cc1ccc(CCC(C)(C)O)cc1)Cc1cccnc1 CC(C)(O)CC[*:1] C[NH+](Cc1ccc(cc1)[*:1])Cc1cccnc1
CC(C)(C)[C@@H](O)[C@]1(C[NH3+])CCOC1 CC(C)(C)[*:1] [NH3+]C[C@]1(CCOC1)[C@H](O)[*:1]
COC(=O)c1cccc(NCc2cccc(OC)c2)n1 COC(=O)[*:1] COc1cccc(c1)CNc1cccc(n1)[*:1]
C[C@@H](CO[C@H]1CCOC1)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 C1C[C@@H](CO1)[*:1] C[C@@H](CO[*:1])NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1
C[C@@H](CO[C@H]1CCOC1)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 C1C[C@@H](CO1)OC[*:1] C[C@@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)[*:1]
C[C@@H](CO[C@H]1CCOC1)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 C1C[C@@H](CO1)O[*:1] C[C@@H](C[*:1])NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1
CC(=O)NC1CCN(C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)CC1 CC(=O)N[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N1CCC(CC1)[*:1]
COc1ccc2oc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)c(C)c2c1 NC(=O)NC(=O)[*:1] COc1ccc2oc(C(=O)O[C@H](C(C)C)[*:1])c(C)c2c1
COc1ccc2oc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)c(C)c2c1 CC(C)[*:1] COc1ccc2oc(C(=O)O[C@H](C(=O)NC(N)=O)[*:1])c(C)c2c1
O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(C(=O)CC2=c3ccccc3=[NH+]C2)C1 Clc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)CC1C[NH+]=c2ccccc2=1
CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)N1CCOCC1 CC(C)[*:1] Cn1cc(C[NH2+]C[C@H](N2CCOCC2)[*:1])c(n1)-c1ccccc1
CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] CC(C)[C@H](C[NH2+]Cc1cn(C)nc1[*:1])N1CCOCC1
CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)[*:1]
Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(O)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)c2ccc(Cl)cc2[*:1])c(O)c1
CCS(=O)(=O)CCN(C)C(=O)c1ccc(C)c(C)c1 CCS(=O)(=O)C[*:1] Cc1ccc(cc1C)C(=O)N(C)C[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1ccc(C)c(C)c1 CCS(=O)(=O)[*:1] Cc1ccc(cc1C)C(=O)N(C)CC[*:1]
CCCN[C@]1(C#N)CCC[C@@H]1CCOc1ccccc1 CCCN[*:1] N#C[C@@]1(CCC[C@@H]1CCOc1ccccc1)[*:1]
CCCN[C@]1(C#N)CCC[C@@H]1CCOc1ccccc1 CCC[*:1] N#C[C@]1(CCC[C@@H]1CCOc1ccccc1)N[*:1]
CCCN[C@]1(C#N)CCC[C@@H]1CCOc1ccccc1 c1ccc(cc1)[*:1] CCCN[C@]1(C#N)CCC[C@@H]1CCO[*:1]
COc1ccccc1N(C(F)F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] COc1ccccc1N(C(F)F)S(=O)(=O)c1cc(ccc1C)[*:1]
COc1ccccc1N(C(F)F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C FC(F)[*:1] COc1ccccc1N(S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])[*:1]
COc1ccccc1N(C(F)F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C COc1ccccc1[*:1] Cc1ccc(cc1S(=O)(=O)N(C(F)F)[*:1])[N+](=O)[O-]
COc1ccc([C@@H]2CCN(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)C2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H]1CCN(C1)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
COc1ccc([C@@H]2CCN(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)C2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)N1CC[C@H](C1)[*:1]
Cc1cccc(NC(=O)N2CCN(Cc3nc(-c4ccccc4)oc3C)CC2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)N2CCN(CC2)Cc2nc(oc2C)[*:1])c1C
Cc1cccc(NC(=O)N2CCN(Cc3nc(-c4ccccc4)oc3C)CC2)c1C Cc1cccc(c1C)[*:1] Cc1oc(nc1CN1CCN(CC1)C(=O)N[*:1])-c1ccccc1
CC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)C=C[*:1]
CC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 CC(=O)[*:1] O=C(/C=C/c1ccc(F)cc1)Nc1ccc(cc1)[*:1]
Cc1ccc([C@H](CNC(=O)N[C@@H]2CCc3c(O)cccc32)[NH+]2CCCC2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])N[C@@H]1CCc2c(O)cccc21
C[C@@H]1CS[C@H]([C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])c2ccccc2)N=C1C(=O)[O-] O=C([O-])[*:1] C[C@@H]1CS[C@@H](N=C1C(=O)[O-])[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)[*:1]
C[C@@H]1CS[C@H]([C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])c2ccccc2)N=C1C(=O)[O-] c1ccc(cc1)[*:1] C[C@@H]1CS[C@@H](N=C1C(=O)[O-])[C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](C[S@@](=O)Cc2ccc(Cl)nc2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H](C1)C[S@@](=O)Cc1ccc(Cl)nc1
CC(C)(C)OC(=O)N1CC[C@@H](C[S@@](=O)Cc2ccc(Cl)nc2)C1 Clc1ccc(cn1)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)C[S@@](=O)C[*:1]
O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1ccc(F)cc1 C1CO[C@@H](C1)CO[*:1] O=C(Nc1ccccc1[*:1])c1ccc(F)cc1
O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1OC[C@@H]1CCCO1)[*:1]
CC(=O)Nc1ccc(Sc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)c1ccccc1Sc1ccc(nc1)[*:1]
CC(=O)Nc1ccc(Sc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 CC(=O)Nc1ccc(cn1)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)c1ccccc1S[*:1]
CC(=O)Nc1ccc(Sc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 FC(F)(F)[*:1] CC(=O)Nc1ccc(cn1)Sc1ccccc1C(=O)Nc1ccc(cc1)O[*:1]
CC(=O)Nc1ccc(Sc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 FC(F)(F)O[*:1] CC(=O)Nc1ccc(cn1)Sc1ccccc1C(=O)Nc1ccc(cc1)[*:1]
CCCOC(=O)CCNC(=O)Nc1c(F)cccc1Br CCCOC(=O)[*:1] O=C(NCC[*:1])Nc1c(F)cccc1Br
CCCOC(=O)CCNC(=O)Nc1c(F)cccc1Br CCC[*:1] O=C(NCCC(=O)O[*:1])Nc1c(F)cccc1Br
COC(=O)Cn1cnc2sc(C)cc2c1=O COC(=O)C[*:1] Cc1cc2c(=O)n(cnc2s1)[*:1]
COC(=O)Cn1cnc2sc(C)cc2c1=O COC(=O)[*:1] Cc1cc2c(=O)n(cnc2s1)C[*:1]
Cn1ccnc1[C@H](NC(=O)c1cnc2sccn2c1=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1ccnc1[C@H](NC(=O)c1cnc2sccn2c1=O)[*:1]
Cn1ccnc1[C@H](NC(=O)c1cnc2sccn2c1=O)c1cccc(F)c1 Cn1ccnc1[*:1] O=C(N[C@H](c1cccc(F)c1)[*:1])c1cnc2sccn2c1=O
C[C@H]1CC[C@H](C)N(C(=O)Cc2csc(-c3nc[nH]n3)n2)C1 c1nc(n[nH]1)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)Cc1csc(n1)[*:1]
CO[C@H](CNc1ncccc1C#N)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](CNc1ncccc1C#N)[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc2-c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc2-c2ccccn2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccn2)n1[*:1])Nc1cccc(c1)C(F)(F)F
Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc2-c2ccccn2)cc1 FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccn1)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc2-c2ccccn2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccn1)SCC(=O)Nc1cccc(c1)[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)N1CCO[C@H]2CCC[C@H]21 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])N1CCO[C@H]2CCC[C@H]21
CCOC(=O)c1c[nH]c2c(C)cc(Cl)cc2c1=O CCOC(=O)[*:1] Cc1cc(Cl)cc2c(=O)c(c[nH]c12)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCC(C)(C)c1ccccc1F Fc1ccccc1[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCC(C)(C)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCC(C)(C)c1ccccc1F Cc1noc(C)c1[*:1] CC(C)(CNC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1])c1ccccc1F
C#CCN(CC#C)C(=O)[C@H](C)O[C@H]1CCC[C@H](C)C1 C#CC[*:1] C#CCN(C(=O)[C@H](C)O[C@H]1CCC[C@H](C)C1)[*:1]
CCOc1ccc(C2(CNC(=O)c3ccc(Br)cc3F)CCOCC2)cc1 CCO[*:1] O=C(NCC1(CCOCC1)c1ccc(cc1)[*:1])c1ccc(Br)cc1F
CCOc1ccc(C2(CNC(=O)c3ccc(Br)cc3F)CCOCC2)cc1 CCOc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])c1ccc(Br)cc1F
CCOc1ccc(C2(CNC(=O)c3ccc(Br)cc3F)CCOCC2)cc1 Fc1cc(Br)ccc1[*:1] CCOc1ccc(cc1)C1(CCOCC1)CNC(=O)[*:1]
O=C(N[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1cccc2ccccc12 ClC(Cl)(Cl)[*:1] O=C(N[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)[*:1])c1cccc2ccccc12
O=C(N[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] O=C(N[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12
O=C(NCCOc1ccccc1)C1=Cc2cc(F)ccc2OC1 c1ccc(cc1)[*:1] O=C(NCCO[*:1])C1=Cc2cc(F)ccc2OC1
O=C(NCCOc1ccccc1)C1=Cc2cc(F)ccc2OC1 c1ccc(cc1)O[*:1] O=C(NCC[*:1])C1=Cc2cc(F)ccc2OC1
O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(F)cc1 Fc1cccc(c1F)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@H]1[*:1])c1ccc(F)cc1
O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1c1cccc(F)c1F)[*:1]
CC[C@@H](CSC)NC(=O)NOCc1ccccc1 CSC[*:1] CC[C@@H](NC(=O)NOCc1ccccc1)[*:1]
CC[C@@H](CSC)NC(=O)NOCc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CSC)NC(=O)NOC[*:1]
CC(C)[C@@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CCc1nc(no1)-c1ccccn1)[*:1]
CC(C)[C@@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1ccc(F)cc1 CC(C)[*:1] O=C(CCc1nc(no1)-c1ccccn1)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)[C@@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1ccc(F)cc1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)CCc1nc(no1)[*:1])c1ccc(F)cc1
O=C(COc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(COc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)c1cccc[nH+]1
NC(=O)[C@@H](Cl)c1cccc(C2CC2)c1 C1CC1[*:1] NC(=O)[C@@H](Cl)c1cccc(c1)[*:1]
NC(=O)[C@@H](Cl)c1cccc(C2CC2)c1 NC(=O)[*:1] Cl[C@@H](c1cccc(c1)C1CC1)[*:1]
BrC/C=C/c1ccc2c(c1)CCO2 BrCC=C[*:1] c1cc2OCCc2cc1[*:1]
CCc1c(C(=O)COc2ccccc2N2CCC[C@@H](C)C2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)COc1ccccc1N1CCC[C@@H](C)C1
CCc1c(C(=O)COc2ccccc2N2CCC[C@@H](C)C2)[nH]c(C)c1C(C)=O C[C@@H]1CCCN(C1)[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)COc1ccccc1[*:1]
CCCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)[*:1] CCCN(C(=O)[C@@H](C)O[*:1])[C@H]1CCS(=O)(=O)C1
CCCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)[*:1]
CC(C)n1cnnc1[C@@H]1CCCN(c2cc(-n3cccn3)nc(N)n2)C1 CC(C)n1cnnc1[*:1] Nc1nc(cc(n1)-n1cccn1)N1CCC[C@H](C1)[*:1]
CC(C)n1cnnc1[C@@H]1CCCN(c2cc(-n3cccn3)nc(N)n2)C1 c1cnn(c1)[*:1] CC(C)n1cnnc1[C@@H]1CCCN(C1)c1cc(nc(N)n1)[*:1]
CC(C)n1cnnc1[C@@H]1CCCN(c2cc(-n3cccn3)nc(N)n2)C1 CC(C)[*:1] Nc1nc(cc(n1)-n1cccn1)N1CCC[C@H](C1)c1nncn1[*:1]
O=C(COc1ccc(Br)cc1F)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COc1ccc(Br)cc1F)N[*:1]
O=C(CCCc1cc(F)ccc1F)N1CC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=C(CCCc1cc(F)ccc1F)N1CC[C@@H](C1)[*:1]
O=C(CCCc1cc(F)ccc1F)N1CC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CCCc1cc(F)ccc1F)N1CC[C@H](C1)N[*:1]
O=C(CCCc1cc(F)ccc1F)N1CC[C@@H](Nc2ccccc2)C1 Fc1ccc(F)c(c1)[*:1] O=C(CCC[*:1])N1CC[C@H](C1)Nc1ccccc1
O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 Brc1ccc(cc1)[*:1] O=C(N1CCC[C@H]1c1nc2ccccc2[nH]1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N[C@H](CC1C[NH+]=c2ccccc2=1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])c1 Cc1ccc(C)c(c1)[*:1] O=C([O-])[C@@H](CC1C[NH+]=c2ccccc2=1)NS(=O)(=O)[*:1]
COc1ccc(Br)c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 c1csc(c1)[*:1] COc1ccc(Br)c(c1)C(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
CCN(Cc1ccccn1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCN(Cc1ccccn1)C(=O)Cn1nnc(n1)[*:1]
CCN(Cc1ccccn1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 c1ccc(C[*:1])nc1 CCN(C(=O)Cn1nnc(n1)-c1ccc(C)cc1)[*:1]
CCN(Cc1ccccn1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)Cn1nnc(n1)-c1ccc(C)cc1
Cc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccco2)CC3=O)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)NC(=O)c1cc2C(=O)C[C@@H](Cc2[nH]c1=O)[*:1]
Cc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccco2)CC3=O)cc1C Cc1ccc(cc1C)[*:1] O=C1C[C@H](Cc2[nH]c(=O)c(cc21)C(=O)N[*:1])c1ccco1
Cc1cc(I)ccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 Cc1cc(I)ccc1[*:1] O=C(N[*:1])c1ccc(cc1)OC[C@H]1CCCO1
Cc1cc(I)ccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 C1CO[C@H](C1)CO[*:1] Cc1cc(I)ccc1NC(=O)c1ccc(cc1)[*:1]
COC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(F)cc1)C(N)=O Fc1ccc(cc1)[*:1] COC[C@@H](NC(=O)c1ccccc1C(=O)[*:1])C(N)=O
COC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(F)cc1)C(N)=O COC[*:1] NC(=O)[C@H](NC(=O)c1ccccc1C(=O)c1ccc(F)cc1)[*:1]
COC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(F)cc1)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(F)cc1)[*:1]
O=C(COC(=O)c1nc(Cl)ccc1Cl)NC(=O)NC1CCCCC1 Clc1ccc(Cl)c(n1)[*:1] O=C(COC(=O)[*:1])NC(=O)NC1CCCCC1
O=C(COC(=O)c1nc(Cl)ccc1Cl)NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COC(=O)c1nc(Cl)ccc1Cl)NC(=O)N[*:1]
CC1CCN(C(=O)CNc2ccc(F)cc2OCC(F)(F)F)CC1 FC(F)(F)CO[*:1] CC1CCN(CC1)C(=O)CNc1ccc(F)cc1[*:1]
CC1CCN(C(=O)CNc2ccc(F)cc2OCC(F)(F)F)CC1 FC(F)(F)[*:1] CC1CCN(CC1)C(=O)CNc1ccc(F)cc1OC[*:1]
CC1CCN(C(=O)CNc2ccc(F)cc2OCC(F)(F)F)CC1 FC(F)(F)C[*:1] CC1CCN(CC1)C(=O)CNc1ccc(F)cc1O[*:1]
Cc1ncsc1[C@@H](C)[NH2+]C[C@@H](O)C1CCCC1 C1CCC(C1)[*:1] Cc1ncsc1[C@@H](C)[NH2+]C[C@@H](O)[*:1]
CC[C@H]([NH2+][C@H]1CCCCC1(C)C)C(N)=O NC(=O)[*:1] CC[C@H]([NH2+][C@H]1CCCCC1(C)C)[*:1]
C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H]1CN(CCN1Cc1ccc(cc1)[*:1])c1nccnc1C#N
C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(-n2cncn2)cc1 N#Cc1nccnc1[*:1] C[C@@H]1CN(CCN1Cc1ccc(cc1)-n1cncn1)[*:1]
Cc1cccc(C)c1OCc1nnc(SCC(N)=O)n1N NC(=O)CS[*:1] Cc1cccc(C)c1OCc1nnc(n1N)[*:1]
Cc1cccc(C)c1OCc1nnc(SCC(N)=O)n1N NC(=O)[*:1] Cc1cccc(C)c1OCc1nnc(SC[*:1])n1N
Cc1cccc(C)c1OCc1nnc(SCC(N)=O)n1N NC(=O)C[*:1] Cc1cccc(C)c1OCc1nnc(S[*:1])n1N
CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C#N)cc1 Clc1ccc(C[*:1])s1 CCN(C(=O)Nc1ccc(C#N)cc1)[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C#N)cc1 Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)Nc1ccc(C#N)cc1
Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 Cc1csc(=O)n1C[*:1] O=C(Nc1nc(cs1)-c1ccc2CCCCc2c1)[*:1]
Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 Cc1csc(=O)n1[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc2CCCCc2c1
C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1OC(F)F Cn1cc(cn1)[*:1] C[C@H](N[C@H](CO)[*:1])c1cc(Cl)ccc1OC(F)F
C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1OC(F)F FC(F)[*:1] C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1O[*:1]
C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1OC(F)F FC(F)O[*:1] C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1[*:1]
CC(C)n1nccc1C(=O)OC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] CC(C)n1nccc1C(=O)OC[C@H]1CN(CCO1)[*:1]
CC(C)n1nccc1C(=O)OC[C@H]1CN(Cc2ccccc2)CCO1 CC(C)[*:1] O=C(OC[C@H]1CN(CCO1)Cc1ccccc1)c1ccnn1[*:1]
CC(C)n1nccc1C(=O)OC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] CC(C)n1nccc1C(=O)OC[C@H]1CN(CCO1)C[*:1]
CC(C)n1nccc1C(=O)OC[C@H]1CN(Cc2ccccc2)CCO1 CC(C)n1nccc1[*:1] O=C(OC[C@H]1CN(CCO1)Cc1ccccc1)[*:1]
O=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)cc1
O=C(Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1)[C@H]1CC(=O)N(C1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 CCNS(=O)(=O)[*:1] O=C(c1ccc(cc1)Cn1cccn1)N1CC[C@@H](C1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 c1cnn(c1)[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)c1ccc(cc1)C[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 c1cnn(c1)C[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)c1ccc(cc1)[*:1]
NC(=O)C1(CNC(=O)C2(c3ccc(F)cc3)CCC2)CCOCC1 NC(=O)[*:1] O=C(NCC1(CCOCC1)[*:1])C1(CCC1)c1ccc(F)cc1
NC(=O)C1(CNC(=O)C2(c3ccc(F)cc3)CCC2)CCOCC1 Fc1ccc(cc1)[*:1] NC(=O)C1(CCOCC1)CNC(=O)C1(CCC1)[*:1]
Cc1nc(-c2cc(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)n(C)c2)cs1 NS(=O)(=O)[*:1] Cc1nc(cs1)-c1cc(C(=O)Nc2cc(cc(C)c2C)[*:1])n(C)c1
Cc1nc(-c2cc(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)n(C)c2)cs1 Cc1nc(cs1)[*:1] Cc1cc(cc(NC(=O)c2cc(cn2C)[*:1])c1C)S(N)(=O)=O
CC[C@@H](C)NC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)N[C@H]1CCN(C1)C(=O)CC[*:1]
CC[C@@H](C)NC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CC[C@@H](C)NC(=O)N[C@H]1CCN(C1)C(=O)C[*:1]
CC[C@@H](C)NC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 CC[C@@H](C)[*:1] O=C(N[C@H]1CCN(C1)C(=O)CCc1ccccc1)N[*:1]
CCN(CC(=O)c1ccccc1C)Cc1cccc(C)n1 Cc1cccc(n1)[*:1] CCN(CC(=O)c1ccccc1C)C[*:1]
CCN(CC(=O)c1ccccc1C)Cc1cccc(C)n1 Cc1ccccc1[*:1] CCN(CC(=O)[*:1])Cc1cccc(C)n1
COc1ccc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1OC c1cc2OCCCOc2cc1[*:1] COc1ccc(cc1OC)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C[NH+]1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1)N[*:1]
CNc1snc(C)c1-c1nc2cccc(Cl)c2n1C1CC1 C1CC1[*:1] CNc1snc(C)c1-c1nc2cccc(Cl)c2n1[*:1]
Cc1ccc(-c2n[nH]cc2CNc2ccc(C)c(C)c2)o1 Cc1ccc(o1)[*:1] Cc1ccc(cc1C)NCc1c[nH]nc1[*:1]
COC(=O)[C@H](Sc1nnc(C2CCCCC2)o1)c1ccccc1 C1CCC(CC1)[*:1] COC(=O)[C@H](Sc1nnc(o1)[*:1])c1ccccc1
COC(=O)[C@H](Sc1nnc(C2CCCCC2)o1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](Sc1nnc(o1)C1CCCCC1)[*:1]
COC(=O)[C@H](Sc1nnc(C2CCCCC2)o1)c1ccccc1 COC(=O)[*:1] c1ccc(cc1)[C@@H](Sc1nnc(o1)C1CCCCC1)[*:1]
COc1ccc(/C=N/Nc2nc3nonc3nc2Nc2cccc(C)c2C)cc1OC COc1ccc(cc1OC)[*:1] Cc1cccc(Nc2nc3nonc3nc2NN=C[*:1])c1C
COc1ccc(/C=N/Nc2nc3nonc3nc2Nc2cccc(C)c2C)cc1OC Cc1cccc(c1C)[*:1] COc1ccc(/C=N/Nc2nc3nonc3nc2N[*:1])cc1OC
COc1ccc(/C=N/Nc2nc3nonc3nc2Nc2cccc(C)c2C)cc1OC Cc1cccc(N[*:1])c1C COc1ccc(/C=N/Nc2nc3nonc3nc2[*:1])cc1OC
Cc1cccc2c(=O)n(CCC(=O)N(C)Cc3cc(Br)cs3)cnc12 Brc1csc(c1)C[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)N(C)[*:1]
Cc1cccc2c(=O)n(CCC(=O)N(C)Cc3cc(Br)cs3)cnc12 Brc1csc(c1)[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)N(C)C[*:1]
Cc1ccsc1CNC(=O)N[C@H](Cn1cncn1)c1ccccc1 Cc1ccsc1[*:1] O=C(NC[*:1])N[C@H](Cn1cncn1)c1ccccc1
Cc1ccsc1CNC(=O)N[C@H](Cn1cncn1)c1ccccc1 c1ncn(n1)[*:1] Cc1ccsc1CNC(=O)N[C@H](C[*:1])c1ccccc1
Cc1ccsc1CNC(=O)N[C@H](Cn1cncn1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccsc1CNC(=O)N[C@H](Cn1cncn1)[*:1]
Cc1ccsc1CNC(=O)N[C@H](Cn1cncn1)c1ccccc1 Cc1ccsc1C[*:1] O=C(N[C@H](Cn1cncn1)c1ccccc1)N[*:1]
Cc1ccsc1CNC(=O)N[C@H](Cn1cncn1)c1ccccc1 c1ncn(C[*:1])n1 Cc1ccsc1CNC(=O)N[C@H](c1ccccc1)[*:1]
CC(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 Fc1ccc(cc1F)[*:1] CC(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]nc(c2C1)[*:1]
O=C(Cc1cccc(F)c1F)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1cccc(F)c1F)NCC[*:1]
Cn1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n1 c1nnnn1[*:1] Cn1ccc(n1)NC(=O)Cc1ccc(cc1)[*:1]
Cn1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n1 Cn1ccc(n1)[*:1] O=C(Cc1ccc(cc1)-n1cnnn1)N[*:1]
[NH3+][C@H]1CCC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] [NH3+][C@H]1CCC[C@H]1NC(=O)c1cccc(c1F)[*:1]
Cc1cc(F)ccc1NC(=O)N(C)CCCOc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] Cc1cc(F)ccc1NC(=O)N(C)CCC[*:1]
Cc1cc(F)ccc1NC(=O)N(C)CCCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(F)ccc1NC(=O)N(C)CCCO[*:1]
Cc1cc(F)ccc1NC(=O)N(C)CCCOc1ccc(F)cc1 Cc1cc(F)ccc1[*:1] CN(CCCOc1ccc(F)cc1)C(=O)N[*:1]
COC(=O)Cn1c(=O)oc(=O)c2cccc(Cl)c21 COC(=O)[*:1] O=c1oc(=O)n(C[*:1])c2c(Cl)cccc12
COC(=O)Cn1c(=O)oc(=O)c2cccc(Cl)c21 COC(=O)C[*:1] O=c1oc(=O)n(c2c(Cl)cccc12)[*:1]
CC(C)NC(=O)CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 CC(C)NC(=O)C[*:1] O=C(c1cc2ccccc2[nH]1)N1CCN(CC1)[*:1]
CC(C)NC(=O)CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)N[*:1]
CC(C)NC(=O)CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 CC(C)NC(=O)[*:1] O=C(c1cc2ccccc2[nH]1)N1CCN(CC1)C[*:1]
Cc1c(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c(=O)n(C)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(c(=O)n(C)n1[*:1])C1C2C(=O)CC(C)(C)CC=2OC2CC(C)(C)CC(=O)C=21
NC(=O)c1cccc(OCCC(=O)O[C@@H]2C[C@H]3CC[C@@H]2C3)c1 NC(=O)[*:1] O=C(CCOc1cccc(c1)[*:1])O[C@@H]1C[C@H]2CC[C@@H]1C2
Cc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)[nH]c2c1 Fc1ccc(cc1)[*:1] Cc1ccc2nc([nH]c2c1)SCC(=O)N[*:1]
Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2NC(=O)c2ccc(Cl)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN1C(=O)[C@@H](CC(=O)N[*:1])N(NC(=O)c2ccc(Cl)cc2)C1=S
Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2NC(=O)c2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2NC(=O)[*:1])c(C)c1
CCCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O CCCC[*:1] C[C@@H]1C[C@@H](NC(=O)N(C)[*:1])C(=O)N1c1ccccc1
CCCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O CCC[*:1] C[C@@H]1C[C@@H](NC(=O)N(C)C[*:1])C(=O)N1c1ccccc1
CCCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(C1=O)[*:1]
Cc1ccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCC1)[*:1]
Cc1ccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)cc1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
C/[NH+]=C(/NCC(C)(C)N1C[C@H](C)O[C@H](C)C1)N[C@H]1C[C@H]1C C[C@@H]1C[C@@H]1[*:1] C/[NH+]=C(/NCC(C)(C)N1C[C@H](C)O[C@H](C)C1)N[*:1]
CC[C@@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 CC[C@@H](C)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)c1cccc(c1)NC(=O)[C@@H](C)O[*:1]
CC[C@@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 CC[C@@H](C)NC(=O)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)[*:1]
CC[C@@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 Clc1ccc(cc1)O[*:1] CC[C@@H](C)NC(=O)c1cccc(c1)NC(=O)[C@@H](C)[*:1]
COC(=O)c1cccc(C(=O)NC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] COC(=O)c1cccc(c1)C(=O)NC(=S)Nc1ccc(C)c(c1)[*:1]
COC(=O)c1cccc(C(=O)NC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)c1 COC(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=S)NC(=O)c1cccc(c1)[*:1]
CC(C)CN(CC(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)CN(CC(C)C)S(=O)(=O)c1ccccc1[*:1]
CC(C)CN(CC(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-] CC(C)C[*:1] CC(C)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
CC(C)CN(CC(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-] CC(C)[*:1] CC(C)CN(C[*:1])S(=O)(=O)c1ccccc1[N+](=O)[O-]
COC(=O)c1[nH]c(C)c(C(=O)Nc2ccc3c(C)n[nH]c3c2)c1C COC(=O)[*:1] Cc1[nH]c(c(C)c1C(=O)Nc1ccc2c(C)n[nH]c2c1)[*:1]
CCCn1ccc(C(=O)Nc2cnn(Cc3cccc(OC)c3)c2)n1 CCCn1ccc(n1)[*:1] COc1cccc(c1)Cn1cc(cn1)NC(=O)[*:1]
CCCn1ccc(C(=O)Nc2cnn(Cc3cccc(OC)c3)c2)n1 COc1cccc(c1)[*:1] CCCn1ccc(n1)C(=O)Nc1cnn(c1)C[*:1]
CCCn1ccc(C(=O)Nc2cnn(Cc3cccc(OC)c3)c2)n1 CCC[*:1] COc1cccc(c1)Cn1cc(cn1)NC(=O)c1ccn(n1)[*:1]
CCN(Cc1nccs1)[C@@H]1CCC[NH2+]C1 c1csc(n1)[*:1] CCN(C[*:1])[C@@H]1CCC[NH2+]C1
CCC[C@H](C)N(C)S(=O)(=O)c1c(C)cc(N)cc1C CCC[C@H](C)[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)N(C)[*:1]
CCC[C@H](C)N(C)S(=O)(=O)c1c(C)cc(N)cc1C CCC[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)N(C)[C@@H](C)[*:1]
Cn1cc(C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)cn1 Cn1cc(cn1)[*:1] O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F)[*:1]
Cn1cc(C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)cn1 Cn1cc(cn1)C(=O)N[*:1] O=S(=O)([N-]c1ccc(Cl)cc1[*:1])c1ccccc1F
Cn1cc(C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)cn1 Fc1ccccc1[*:1] Cn1cc(cn1)C(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)[*:1]
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(ccc1NC(=O)N[*:1])C(=O)N1CCCC[C@H]1C
Cc1nonc1CC(=O)N[C@@H]1CC[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)C1 Cc1nonc1[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@H]1CC[C@H](C1)NC(=O)C[*:1]
Cc1nonc1CC(=O)N[C@@H]1CC[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)C1 Cc1nonc1C[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@H]1CC[C@H](C1)NC(=O)[*:1]
O=C(N[C@@H]1C=C[C@H](C(=O)[O-])C1)c1ccc(Cl)cn1 O=C([O-])[*:1] O=C(N[C@@H]1C=C[C@H](C1)[*:1])c1ccc(Cl)cn1
Cn1cnnc1-c1ccccc1NC(=O)c1cccc(COc2ccccc2C(N)=O)c1 NC(=O)c1ccccc1O[*:1] Cn1cnnc1-c1ccccc1NC(=O)c1cccc(c1)C[*:1]
Cn1cnnc1-c1ccccc1NC(=O)c1cccc(COc2ccccc2C(N)=O)c1 NC(=O)[*:1] Cn1cnnc1-c1ccccc1NC(=O)c1cccc(c1)COc1ccccc1[*:1]
Cn1cnnc1-c1ccccc1NC(=O)c1cccc(COc2ccccc2C(N)=O)c1 Cn1cnnc1[*:1] NC(=O)c1ccccc1OCc1cccc(c1)C(=O)Nc1ccccc1[*:1]
Cn1cnnc1-c1ccccc1NC(=O)c1cccc(COc2ccccc2C(N)=O)c1 NC(=O)c1ccccc1[*:1] Cn1cnnc1-c1ccccc1NC(=O)c1cccc(c1)CO[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccn(C3CCCC3)n2)C1 C1CCC(C1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1ccn(n1)[*:1]
CC(=O)c1c[nH]c(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c1 CC(=O)[*:1] O=C(N[C@H]1CCCN(C1=O)c1ccccc1F)c1cc(c[nH]1)[*:1]
CC(=O)c1c[nH]c(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c1 CC(=O)c1c[nH]c(c1)[*:1] O=C1[C@H](CCCN1c1ccccc1F)NC(=O)[*:1]
CC(=O)c1c[nH]c(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c1 Fc1ccccc1[*:1] CC(=O)c1c[nH]c(c1)C(=O)N[C@H]1CCCN(C1=O)[*:1]
CC(=O)Nc1cc(NC(=O)N[C@@H]2CCc3ccccc32)ccc1Cl CC(=O)N[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])N[C@@H]1CCc2ccccc21
CC(C)C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccn1 CC(C)C[*:1] O=S1(=O)CC[C@@H](C[NH2+][C@@H](c2ccccn2)[*:1])C1
CC(C)C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccn1 CC(C)[*:1] O=S1(=O)CC[C@@H](C[NH2+][C@H](C[*:1])c2ccccn2)C1
CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 CSC[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OC[*:1])c1ccc(cc1)[N+](=O)[O-]
CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 CSCC[*:1] CC1NC(=O)N[C@@H](C=1C(=O)O[*:1])c1ccc(cc1)[N+](=O)[O-]
CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(cc1)[*:1]
CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 CSCCOC(=O)[*:1] CC1NC(=O)N[C@@H](C=1[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCCOc1ccc(Cl)cc1)N[*:1]
O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(CCCO[*:1])Nc1ccc(F)cc1
CN(C)C(=O)CNC(=O)N(CCC(F)(F)F)C1CCCCC1 CN(C)C(=O)C[*:1] O=C(N[*:1])N(CCC(F)(F)F)C1CCCCC1
CN(C)C(=O)CNC(=O)N(CCC(F)(F)F)C1CCCCC1 CN(C)C(=O)[*:1] O=C(NC[*:1])N(CCC(F)(F)F)C1CCCCC1
CN(C)C(=O)CNC(=O)N(CCC(F)(F)F)C1CCCCC1 FC(F)(F)CC[*:1] CN(C)C(=O)CNC(=O)N(C1CCCCC1)[*:1]
CN(C)C(=O)CNC(=O)N(CCC(F)(F)F)C1CCCCC1 FC(F)(F)C[*:1] CN(C)C(=O)CNC(=O)N(C[*:1])C1CCCCC1
CN(C)C(=O)CNC(=O)N(CCC(F)(F)F)C1CCCCC1 FC(F)(F)[*:1] CN(C)C(=O)CNC(=O)N(CC[*:1])C1CCCCC1
CN(C)C(=O)CNC(=O)N(CCC(F)(F)F)C1CCCCC1 C1CCC(CC1)[*:1] CN(C)C(=O)CNC(=O)N(CCC(F)(F)F)[*:1]
CC(C)(C)[C@H](NC(=O)C(=O)Nc1cc(F)ccc1F)c1ccccc1 Fc1ccc(F)c(c1)[*:1] CC(C)(C)[C@H](NC(=O)C(=O)N[*:1])c1ccccc1
CC(C)(C)[C@H](NC(=O)C(=O)Nc1cc(F)ccc1F)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@H](NC(=O)C(=O)Nc1cc(F)ccc1F)[*:1]
CC(C)(C)[C@H](NC(=O)C(=O)Nc1cc(F)ccc1F)c1ccccc1 CC(C)(C)[*:1] O=C(Nc1cc(F)ccc1F)C(=O)N[C@H](c1ccccc1)[*:1]
CCc1nc(C(=O)N(CCO)Cc2ccccc2)n[nH]1 c1ccc(cc1)[*:1] CCc1nc(n[nH]1)C(=O)N(CCO)C[*:1]
CCc1nc(C(=O)N(CCO)Cc2ccccc2)n[nH]1 OCC[*:1] CCc1nc(n[nH]1)C(=O)N(Cc1ccccc1)[*:1]
Cc1cccc(-n2ccnc2SCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 Cc1nc(C#N)c(o1)[*:1] Cc1cccc(c1)-n1ccnc1SCC(=O)N1CCN(CC1)[*:1]
Cc1cccc(-n2ccnc2SCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 Cc1cccc(c1)[*:1] Cc1nc(C#N)c(o1)N1CCN(CC1)C(=O)CSc1nccn1[*:1]
COCCN1[C@H](C)C[NH+](Cc2ccco2)C[C@H]1C c1coc(c1)[*:1] COCCN1[C@H](C)C[NH+](C[C@H]1C)C[*:1]
COCCN1[C@H](C)C[NH+](Cc2ccco2)C[C@H]1C c1coc(c1)C[*:1] COCCN1[C@H](C)C[NH+](C[C@H]1C)[*:1]
COCCN1[C@H](C)C[NH+](Cc2ccco2)C[C@H]1C COCC[*:1] C[C@@H]1C[NH+](Cc2ccco2)C[C@@H](C)N1[*:1]
COCCN1[C@H](C)C[NH+](Cc2ccco2)C[C@H]1C COC[*:1] C[C@@H]1C[NH+](Cc2ccco2)C[C@@H](C)N1C[*:1]
CC(=O)N(C)c1cccc(NC(=O)N2[C@@H](C)C[C@H]3CCCC[C@@H]32)c1 CC(=O)N(C)[*:1] C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(c1)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(Br)cc2)c(OC)c1 Brc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CCCN1C(=O)CS[*:1]
COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(Br)cc2)c(OC)c1 Brc1ccc(cc1)S[*:1] COc1ccc(c(c1)OC)[C@@H]1CCCN1C(=O)C[*:1]
CCCCC(=O)c1cc(C)c(C)cc1C CCC[*:1] Cc1cc(C)c(cc1C)C(=O)C[*:1]
CCCCC(=O)c1cc(C)c(C)cc1C CCCC[*:1] Cc1cc(C)c(cc1C)C(=O)[*:1]
O=C(Nc1ccc(F)c(F)c1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 Fc1ccc(cc1F)[*:1] O=C(N[*:1])N1CCC[C@@H](C1)c1nnc2CCCCCn21
Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3C(F)(F)F)C2=O)c1C Cc1cccc(c1C)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1C(F)(F)F
Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3C(F)(F)F)C2=O)c1C FC(F)(F)[*:1] Cc1cccc(NC(=O)CN2C(=O)N[C@@](C)(C2=O)c2ccccc2[*:1])c1C
Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3C(F)(F)F)C2=O)c1C FC(F)(F)c1ccccc1[*:1] Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(C2=O)[*:1])c1C
O=C([O-])CCn1c(SCc2ccccn2)nc2ccccc2c1=O c1ccc(CS[*:1])nc1 O=C([O-])CCn1c(nc2ccccc2c1=O)[*:1]
O=C([O-])CCn1c(SCc2ccccn2)nc2ccccc2c1=O O=C([O-])C[*:1] O=c1c2ccccc2nc(SCc2ccccn2)n1C[*:1]
O=C([O-])CCn1c(SCc2ccccn2)nc2ccccc2c1=O O=C([O-])[*:1] O=c1c2ccccc2nc(SCc2ccccn2)n1CC[*:1]
O=C([O-])CCn1c(SCc2ccccn2)nc2ccccc2c1=O c1ccc(C[*:1])nc1 O=C([O-])CCn1c(nc2ccccc2c1=O)S[*:1]
O=C([O-])CCn1c(SCc2ccccn2)nc2ccccc2c1=O c1ccc(nc1)[*:1] O=C([O-])CCn1c(nc2ccccc2c1=O)SC[*:1]
O=C([O-])CCn1c(SCc2ccccn2)nc2ccccc2c1=O O=C([O-])CC[*:1] O=c1c2ccccc2nc(SCc2ccccn2)n1[*:1]
C[C@H](C(=O)N1CCC[C@H](n2cncn2)C1)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)n1cncn1)[*:1]
C[C@H](C(=O)N1CCC[C@H](n2cncn2)C1)c1cccs1 c1ncn(n1)[*:1] C[C@H](C(=O)N1CCC[C@H](C1)[*:1])c1cccs1
Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-] O=[N+]([O-])[*:1] Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc(ccc1[O-])[*:1]
Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-] Cc1n[nH]c(C)c1[*:1] O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2S[*:1])c1
Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-] Cc1n[nH]c(C)c1S[*:1] O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2[*:1])c1
Cc1ccc(OC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 Cc1ccc(nn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](CO[*:1])C1
Cc1ccc(OC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 CC(C)(C)[*:1] Cc1ccc(nn1)OC[C@@H]1CCCN(C1)C(=O)O[*:1]
CC(C)[C@H](NC(=O)N(C1CC1)[C@@H](C)C1CC1)c1ccc2c(c1)OCCO2 C[C@@H](C1CC1)[*:1] CC(C)[C@H](NC(=O)N(C1CC1)[*:1])c1ccc2OCCOc2c1
CC(C)[C@H](NC(=O)N(C1CC1)[C@@H](C)C1CC1)c1ccc2c(c1)OCCO2 C1CC1[*:1] CC(C)[C@H](NC(=O)N(C1CC1)[C@@H](C)[*:1])c1ccc2OCCOc2c1
CC(C)[C@H](NC(=O)N(C1CC1)[C@@H](C)C1CC1)c1ccc2c(c1)OCCO2 C1CC1[*:1] CC(C)[C@H](NC(=O)N([C@@H](C)C1CC1)[*:1])c1ccc2OCCOc2c1
CC(C)[C@H](NC(=O)N(C1CC1)[C@@H](C)C1CC1)c1ccc2c(c1)OCCO2 CC(C)[*:1] C[C@@H](C1CC1)N(C(=O)N[C@H](c1ccc2OCCOc2c1)[*:1])C1CC1
Cc1ccc(SCC(=O)O[C@@H](C#N)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)SCC(=O)O[C@@H](C#N)[*:1]
O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1=Cc2cc(F)ccc2OC1 O=[N+]([O-])[*:1] O=C(NCCNc1ccc(cc1)[*:1])C1=Cc2cc(F)ccc2OC1
Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C[NH2+]CCCn1cc[nH+]c1)[*:1]
Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)[C@H](C)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] Cc1cc(cc(C)c1CS(=O)(=O)[C@H](C)[*:1])C(C)(C)C
Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)[C@H](C)C(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1cc(cc(C)c1CS(=O)(=O)[C@H](C)C(=O)N[*:1])C(C)(C)C
Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)[C@H](C)C(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1cc(cc(C)c1CS(=O)(=O)[C@H](C)C(=O)NC(C)(C)C)[*:1]
Cc1cc2ncn(C[C@@H](O)COC3CCCCC3)c2cc1C C1CCC(CC1)O[*:1] Cc1cc2ncn(C[C@@H](O)C[*:1])c2cc1C
Cc1cc2ncn(C[C@@H](O)COC3CCCCC3)c2cc1C C1CCC(CC1)[*:1] Cc1cc2ncn(C[C@@H](O)CO[*:1])c2cc1C
CCN(C)[C@H](C[NH3+])c1ccc(F)c(Br)c1 CCN(C)[*:1] [NH3+]C[C@H](c1ccc(F)c(Br)c1)[*:1]
C[C@H]1CCCN(C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)C1 c1cncc(c1)[*:1] C[C@H]1CCCN(C1)C(=O)Cn1nc(C[*:1])c2ccccc2c1=O
C[C@H]1CCCN(C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)C1 c1cncc(c1)C[*:1] C[C@H]1CCCN(C1)C(=O)Cn1nc(c2ccccc2c1=O)[*:1]
O=C(NCCOc1cccnc1)c1cccc(NC(=O)C2CCCCC2)c1 c1cncc(c1)OCC[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)C1CCCCC1
O=C(NCCOc1cccnc1)c1cccc(NC(=O)C2CCCCC2)c1 O=C(N[*:1])C1CCCCC1 O=C(NCCOc1cccnc1)c1cccc(c1)[*:1]
O=C(NCCOc1cccnc1)c1cccc(NC(=O)C2CCCCC2)c1 c1cncc(c1)O[*:1] O=C(NCC[*:1])c1cccc(c1)NC(=O)C1CCCCC1
O=C(NCCOc1cccnc1)c1cccc(NC(=O)C2CCCCC2)c1 c1cncc(c1)[*:1] O=C(NCCO[*:1])c1cccc(c1)NC(=O)C1CCCCC1
O=C(NCCOc1cccnc1)c1cccc(NC(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NCCOc1cccnc1)c1cccc(c1)NC(=O)[*:1]
O=C(NCCOc1cccnc1)c1cccc(NC(=O)C2CCCCC2)c1 c1cncc(c1)OC[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)C1CCCCC1
CC(C)[C@@H]1CN(C(=O)c2nc([O-])c3ccccc3n2)CCS1 CC(C)[*:1] O=C(c1nc([O-])c2ccccc2n1)N1CCS[C@@H](C1)[*:1]
CCCN1CC(=O)N(CC[C@@H](C)O)CC1=O C[C@@H](O)[*:1] CCCN1CC(=O)N(CC[*:1])CC1=O
CCCN1CC(=O)N(CC[C@@H](C)O)CC1=O C[C@@H](O)C[*:1] CCCN1CC(=O)N(CC1=O)C[*:1]
CCCN1CC(=O)N(CC[C@@H](C)O)CC1=O C[C@@H](O)CC[*:1] CCCN1CC(=O)N(CC1=O)[*:1]
CCCN1CC(=O)N(CC[C@@H](C)O)CC1=O CCC[*:1] C[C@@H](O)CCN1CC(=O)N(CC1=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 CC(=O)[*:1] O=S(=O)(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N[C@H](CC(F)(F)F)[*:1]
CC(=O)c1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 FC(F)(F)C[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 FC(F)(F)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N[C@H](C[*:1])c1ccc(F)cc1
C[C@@H](C[NH2+]C1CC1)C[C@@H]1CCO[C@]2(CCOC2)C1 C1CC1[*:1] C[C@@H](C[NH2+][*:1])C[C@@H]1CCO[C@]2(CCOC2)C1
CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CC(=O)Nc1c(nsc1C(=O)N[*:1])-c1ccccn1
CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N[C@@H](C)c1ccccc1 c1ccc(nc1)[*:1] CC(=O)Nc1c(nsc1C(=O)N[C@@H](C)c1ccccc1)[*:1]
CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N[C@@H](C)c1ccccc1 CC(=O)N[*:1] C[C@H](NC(=O)c1snc(-c2ccccn2)c1[*:1])c1ccccc1
CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)Nc1c(nsc1C(=O)N[C@@H](C)[*:1])-c1ccccn1
C[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)[C@@H]1C O=S(=O)(N1CCOCC1)[*:1] C[C@H]1CCC[C@@H](NC(=O)c2cc(c(Cl)cc2Cl)[*:1])[C@@H]1C
O=C(Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c3c(sc21)CCCC3)NCc1ccco1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)n2nc(C[*:1])nc2c2c3CCCCc3sc21)NCc1ccco1
O=C(Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c3c(sc21)CCCC3)NCc1ccco1 c1ccc(cc1)C[*:1] O=C(Cn1c(=O)n2nc(nc2c2c3CCCCc3sc21)[*:1])NCc1ccco1
O=C(Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c3c(sc21)CCCC3)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c3CCCCc3sc21)N[*:1]
O=C(Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c3c(sc21)CCCC3)NCc1ccco1 c1coc(c1)[*:1] O=C(Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c3CCCCc3sc21)NC[*:1]
O=C(Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c3c(sc21)CCCC3)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=c1n(C[*:1])c2sc3CCCCc3c2c2nc(Cc3ccccc3)nn12
O=C(Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c3c(sc21)CCCC3)NCc1ccco1 O=C(C[*:1])NCc1ccco1 O=c1n(c2sc3CCCCc3c2c2nc(Cc3ccccc3)nn12)[*:1]
COc1ccc(Oc2ncnc(Nc3ccc(F)c(F)c3)c2N)cc1 COc1ccc(cc1)[*:1] Nc1c(ncnc1O[*:1])Nc1ccc(F)c(F)c1
COc1ccc(Oc2ncnc(Nc3ccc(F)c(F)c3)c2N)cc1 Fc1ccc(cc1F)[*:1] COc1ccc(cc1)Oc1ncnc(N[*:1])c1N
COCCN1C[C@@H](C(=O)Nc2ccccc2-c2nc(C(C)C)n[nH]2)CC1=O COC[*:1] CC(C)c1n[nH]c(n1)-c1ccccc1NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@@H](C(=O)Nc2ccccc2-c2nc(C(C)C)n[nH]2)CC1=O CC(C)[*:1] COCCN1C[C@H](CC1=O)C(=O)Nc1ccccc1-c1nc(n[nH]1)[*:1]
COCCN1C[C@@H](C(=O)Nc2ccccc2-c2nc(C(C)C)n[nH]2)CC1=O CC(C)c1n[nH]c(n1)[*:1] COCCN1C[C@H](CC1=O)C(=O)Nc1ccccc1[*:1]
COCCN1C[C@@H](C(=O)Nc2ccccc2-c2nc(C(C)C)n[nH]2)CC1=O COCC[*:1] CC(C)c1n[nH]c(n1)-c1ccccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1cccc(N2CCN([C@H](C)C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 COc1cccc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)[C@@H](C)N1CCN(CC1)[*:1]
Cc1ccc(S(=O)(=O)c2ncsc2SCC(=O)NCc2ccc(C)o2)cc1 Cc1ccc(C[*:1])o1 Cc1ccc(cc1)S(=O)(=O)c1ncsc1SCC(=O)N[*:1]
Cc1ccc(S(=O)(=O)c2ncsc2SCC(=O)NCc2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1ncsc1SCC(=O)NC[*:1]
Cc1ccc(S(=O)(=O)c2ncsc2SCC(=O)NCc2ccc(C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(CNC(=O)CSc2scnc2S(=O)(=O)[*:1])o1
CC[C@](C)([C@@H]([NH2+]C)C1CCOCC1)[NH+]1CCCC1 C1CC(CCO1)[*:1] CC[C@](C)([C@@H]([NH2+]C)[*:1])[NH+]1CCCC1
Cc1ccc(C)c(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Nc1cccc(Cl)c1)Nc1nnc(CO[*:1])s1
Cc1ccc(C)c(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)c1 Clc1cccc(c1)[*:1] Cc1ccc(C)c(c1)OCc1nnc(NC(=O)N[*:1])s1
COc1ccc(C(=O)CSc2nc(O)c3cnn(-c4cccc(C)c4)c3n2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)-n1ncc2c(O)nc(nc21)SCC(=O)[*:1]
COc1ccc(C(=O)CSc2nc(O)c3cnn(-c4cccc(C)c4)c3n2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)CSc1nc(O)c2cnn(c2n1)[*:1]
CNS(=O)(=O)c1ccc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c([N+](=O)[O-])c1 C[C@@H]1CCCCN1C(=O)C[*:1] CNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
CNS(=O)(=O)c1ccc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNS(=O)(=O)c1ccc(c(c1)[*:1])N1CCN(CC1)CC(=O)N1CCCC[C@H]1C
CNS(=O)(=O)c1ccc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c([N+](=O)[O-])c1 CNS(=O)(=O)[*:1] C[C@@H]1CCCCN1C(=O)CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
CS[C@H](CO)[C@@H](C)[NH2+][C@@H](c1ccccc1C)C1CC1 C1CC1[*:1] CS[C@H](CO)[C@@H](C)[NH2+][C@@H](c1ccccc1C)[*:1]
CN(Cc1cccc(F)c1)C(=O)NCc1nc2ccccc2s1 Fc1cccc(c1)[*:1] CN(C[*:1])C(=O)NCc1nc2ccccc2s1
COc1ccc2c(c1OC)CN(S(=O)(=O)c1ccc(C(=O)Nc3ccc(Cl)cc3)o1)CC2 Clc1ccc(cc1)[*:1] COc1ccc2CCN(Cc2c1OC)S(=O)(=O)c1ccc(o1)C(=O)N[*:1]
COc1ccc2c(c1OC)CN(S(=O)(=O)c1ccc(C(=O)Nc3ccc(Cl)cc3)o1)CC2 O=C(Nc1ccc(Cl)cc1)[*:1] COc1ccc2CCN(Cc2c1OC)S(=O)(=O)c1ccc(o1)[*:1]
CCCc1cc(C(=O)N2CC(OCc3ccccc3C)C2)[nH]n1 CCC[*:1] Cc1ccccc1COC1CN(C1)C(=O)c1cc(n[nH]1)[*:1]
CCCc1cc(C(=O)N2CC(OCc3ccccc3C)C2)[nH]n1 Cc1ccccc1[*:1] CCCc1cc([nH]n1)C(=O)N1CC(C1)OC[*:1]
CN(C(=O)C[C@@H](O)c1cccc(F)c1)[C@@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)C[C@@H](O)c1cccc(F)c1)[C@@H](CCO)[*:1]
CN(C(=O)C[C@@H](O)c1cccc(F)c1)[C@@H](CCO)c1ccccc1 OCC[*:1] CN(C(=O)C[C@@H](O)c1cccc(F)c1)[C@@H](c1ccccc1)[*:1]
CN(C(=O)C[C@@H](O)c1cccc(F)c1)[C@@H](CCO)c1ccccc1 Fc1cccc(c1)[*:1] CN(C(=O)C[C@@H](O)[*:1])[C@@H](CCO)c1ccccc1
CC[C@@](SCC(N)=O)(C(N)=O)C(C)C NC(=O)[*:1] CC[C@@](SC[*:1])(C(N)=O)C(C)C
CC[C@@](SCC(N)=O)(C(N)=O)C(C)C NC(=O)C[*:1] CC[C@@](S[*:1])(C(N)=O)C(C)C
CC[C@@](SCC(N)=O)(C(N)=O)C(C)C CC(C)[*:1] CC[C@@](SCC(N)=O)(C(N)=O)[*:1]
CC[C@@](SCC(N)=O)(C(N)=O)C(C)C NC(=O)[*:1] CC[C@@](SCC(N)=O)(C(C)C)[*:1]
CC(C)c1ncc(NN)c(C(=O)N[C@H]2CCCC2(C)C)n1 CC(C)[*:1] CC1(C)CCC[C@@H]1NC(=O)c1nc(ncc1NN)[*:1]
CC(C)c1ncc(NN)c(C(=O)N[C@H]2CCCC2(C)C)n1 CC1(C)CCC[C@@H]1[*:1] CC(C)c1ncc(NN)c(n1)C(=O)N[*:1]
CSCCOC(=O)c1oc2ccccc2c1C CSC[*:1] Cc1c(oc2ccccc12)C(=O)OC[*:1]
CSCCOC(=O)c1oc2ccccc2c1C CSCC[*:1] Cc1c(oc2ccccc12)C(=O)O[*:1]
CNc1ncnc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ncnc(NC[C@@H]2CCCO2)c1[*:1]
CNc1ncnc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] C1CO[C@@H](C1)C[*:1] CNc1ncnc(N[*:1])c1[N+](=O)[O-]
CNc1ncnc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] C1CO[C@@H](C1)[*:1] CNc1ncnc(NC[*:1])c1[N+](=O)[O-]
C[C@@H]1[NH+]=c2ccc(F)cc2=C1CCNC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] C[C@@H]1[NH+]=c2ccc(F)cc2=C1CCNC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
C[C@@H]1[NH+]=c2ccc(F)cc2=C1CCNC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)c1ccc(cc1)[*:1] C[C@@H]1[NH+]=c2ccc(F)cc2=C1CCNC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1F O=C(N1CCCCC1)[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+]Cc1ccc(cc1)[*:1]
Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1F Cc1ccc(cc1F)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)C(=O)N1CCCCC1)[*:1]
O=S1(=O)C[C@@H](Cl)[C@@H](C(Cl)(Cl)Cl)C1 ClC(Cl)(Cl)[*:1] O=S1(=O)C[C@@H](Cl)[C@@H](C1)[*:1]
CC[C@H](C)[C@@H](C(=O)[O-])[NH+]1CC(C)(C)C1 CC[C@H](C)[*:1] CC1(C)C[NH+](C1)[C@H](C(=O)[O-])[*:1]
CC[C@H](C)[C@@H](C(=O)[O-])[NH+]1CC(C)(C)C1 O=C([O-])[*:1] CC[C@H](C)[C@@H]([NH+]1CC(C)(C)C1)[*:1]
CCc1nn(C)cc1C(=O)N1CCC[C@@H](COc2ccccc2)C1 c1ccc(cc1)OC[*:1] CCc1nn(C)cc1C(=O)N1CCC[C@@H](C1)[*:1]
CCc1nn(C)cc1C(=O)N1CCC[C@@H](COc2ccccc2)C1 c1ccc(cc1)O[*:1] CCc1nn(C)cc1C(=O)N1CCC[C@H](C1)C[*:1]
CCc1nn(C)cc1C(=O)N1CCC[C@@H](COc2ccccc2)C1 CCc1nn(C)cc1[*:1] O=C(N1CCC[C@@H](COc2ccccc2)C1)[*:1]
CCc1nn(C)cc1C(=O)N1CCC[C@@H](COc2ccccc2)C1 c1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)N1CCC[C@@H](CO[*:1])C1
O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 Clc1cccc(Cl)c1C[*:1] O=C(Nc1nnc(S[*:1])s1)[C@@H]1CCCN(C1)C(=O)c1ccoc1
O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 Clc1cccc(Cl)c1[*:1] O=C(Nc1nnc(SC[*:1])s1)[C@@H]1CCCN(C1)C(=O)c1ccoc1
O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 c1cc(co1)[*:1] O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 Clc1cccc(Cl)c1CS[*:1] O=C(Nc1nnc(s1)[*:1])[C@@H]1CCCN(C1)C(=O)c1ccoc1
OCc1cnn(-c2ccccn2)c1C(F)(F)F FC(F)(F)[*:1] OCc1cnn(-c2ccccn2)c1[*:1]
C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)COC2)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](CNC(=O)C(=O)Nc1ccc2COCc2c1)[*:1]
Cc1nc2cc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc2o1 O=[N+]([O-])[*:1] Cc1nc2cc(ccc2o1)NC(=O)[C@H](C)Sc1ccc(cc1)[*:1]
C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cnccn1 FC(F)(F)C[*:1] C[C@@H](N[C@@H]1CCCN(C1=O)[*:1])c1cnccn1
C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cnccn1 FC(F)(F)[*:1] C[C@@H](N[C@@H]1CCCN(C[*:1])C1=O)c1cnccn1
C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cnccn1 c1cnc(cn1)[*:1] C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)[*:1]
Cn1c(S[C@@H]2CCOC2=O)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])S[C@@H]1CCOC1=O
NC(=[NH2+])c1ccccc1-n1nnc2ccccc21 NC(=[NH2+])[*:1] c1ccc(c(c1)-n1nnc2ccccc21)[*:1]
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(F)cc12 c1ccc(cc1)[*:1] CN1C[C@H](c2cccc(c2)[N+](=O)[O-])[C@@H](C(=O)[*:1])[C@@]12C(=O)Nc1ccc(F)cc12
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(F)cc12 O=C(c1ccccc1)[*:1] CN1C[C@H](c2cccc(c2)[N+](=O)[O-])[C@@H]([C@@]12C(=O)Nc1ccc(F)cc12)[*:1]
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(F)cc12 O=[N+]([O-])[*:1] CN1C[C@H](c2cccc(c2)[*:1])[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(F)cc12
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(F)cc12 O=[N+]([O-])c1cccc(c1)[*:1] CN1C[C@H]([C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(F)cc12)[*:1]
COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccccc2F)n2nnnc2N3)c1 COc1cccc(c1)[*:1] Oc1nnc(c2c1Nc1nnnn1[C@@H]2c1ccccc1F)[*:1]
COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccccc2F)n2nnnc2N3)c1 Fc1ccccc1[*:1] COc1cccc(c1)-c1nnc(O)c2Nc3nnnn3[C@H](c12)[*:1]
C#CCNc1ccccc1C(=O)NCc1ccco1 c1coc(c1)[*:1] C#CCNc1ccccc1C(=O)NC[*:1]
C#CCNc1ccccc1C(=O)NCc1ccco1 C#CC[*:1] O=C(NCc1ccco1)c1ccccc1N[*:1]
C#CCNc1ccccc1C(=O)NCc1ccco1 C#CCN[*:1] O=C(NCc1ccco1)c1ccccc1[*:1]
C#CCNc1ccccc1C(=O)NCc1ccco1 c1coc(c1)C[*:1] C#CCNc1ccccc1C(=O)N[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)NCc2nccn2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)NCc1nccn1[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)NCc2nccn2Cc2ccccc2)C1 c1ccc(cc1)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)NCc1nccn1C[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)NCc2nccn2Cc2ccccc2)C1 CC(=O)N[*:1] O=C(NCc1nccn1Cc1ccccc1)N1CCC[C@H](C1)[*:1]
CS(=O)(=O)NCc1ccc(C(=O)Nc2cccc(-n3cnnc3)c2)o1 c1nncn1[*:1] CS(=O)(=O)NCc1ccc(o1)C(=O)Nc1cccc(c1)[*:1]
CS(=O)(=O)NCc1ccc(C(=O)Nc2cccc(-n3cnnc3)c2)o1 CS(=O)(=O)NC[*:1] O=C(Nc1cccc(c1)-n1cnnc1)c1ccc(o1)[*:1]
CS(=O)(=O)NCc1ccc(C(=O)Nc2cccc(-n3cnnc3)c2)o1 CS(=O)(=O)N[*:1] O=C(Nc1cccc(c1)-n1cnnc1)c1ccc(C[*:1])o1
COc1cc(/C=N/Nc2ccc3ccccc3n2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 c1ccc2nc(ccc2c1)[*:1] COc1cc(/C=N/N[*:1])ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1
O=C(CSc1csc(C(=O)[O-])c1)NC(=O)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(CSc1csc(c1)C(=O)[O-])NC(=O)[*:1]
O=C(CSc1csc(C(=O)[O-])c1)NC(=O)c1ccc[nH]1 O=C([O-])[*:1] O=C(CSc1csc(c1)[*:1])NC(=O)c1ccc[nH]1
COCCn1cc(C(=O)Nc2ccc3ncn(C)c(=O)c3c2)c2ccccc2c1=O COC[*:1] Cn1cnc2ccc(cc2c1=O)NC(=O)c1cn(C[*:1])c(=O)c2ccccc12
COCCn1cc(C(=O)Nc2ccc3ncn(C)c(=O)c3c2)c2ccccc2c1=O COCC[*:1] Cn1cnc2ccc(cc2c1=O)NC(=O)c1cn(c(=O)c2ccccc12)[*:1]
COc1ccc(CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)CN(C)C(=O)c1cc(NC(=O)[*:1])n(C)n1
COc1ccc(CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)cc1OC COc1ccc(cc1OC)[*:1] CN(C[*:1])C(=O)c1cc(NC(=O)C2CCCCC2)n(C)n1
COc1ccc(CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)cc1OC O=C(N[*:1])C1CCCCC1 COc1ccc(cc1OC)CN(C)C(=O)c1cc(n(C)n1)[*:1]
O=C([O-])C1CC(F)(c2cccc(F)c2)C1 O=C([O-])[*:1] Fc1cccc(c1)C1(F)CC(C1)[*:1]
CCOC(=O)C1CCN(c2nc(C)cc(=O)[nH]2)CC1 CCOC(=O)[*:1] Cc1cc(=O)[nH]c(n1)N1CCC(CC1)[*:1]
Cc1nn(C)c(C)c1CCCNC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CCCNC(=O)NC[*:1]
Cc1ccccc1COC1CCN(c2cc(-n3cccn3)nc(N)n2)CC1 Cc1ccccc1C[*:1] Nc1nc(cc(n1)-n1cccn1)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(c2cc(-n3cccn3)nc(N)n2)CC1 Cc1ccccc1CO[*:1] Nc1nc(cc(n1)-n1cccn1)N1CCC(CC1)[*:1]
Cc1ccccc1COC1CCN(c2cc(-n3cccn3)nc(N)n2)CC1 Cc1ccccc1[*:1] Nc1nc(cc(n1)-n1cccn1)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(c2cc(-n3cccn3)nc(N)n2)CC1 c1cnn(c1)[*:1] Cc1ccccc1COC1CCN(CC1)c1cc(nc(N)n1)[*:1]
Cc1cc(C)n(CC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1ccc2OCOc2c1)N1CCC(CC1)C[*:1]
Cc1cc(C)n(CC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 Cc1cc(C)n(C[*:1])n1 O=C(Nc1ccc2OCOc2c1)N1CCC(CC1)[*:1]
CC(C)c1cc(C(=O)NCc2ncc3c(n2)CCC3)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)NCc1ncc2CCCc2n1)[*:1]
Cc1nc(C)c(C(=O)N(CC[NH+](C)C)c2nc3c(C)ccc(Cl)c3s2)s1 Cc1nc(C)c(s1)[*:1] Cc1ccc(Cl)c2sc(nc12)N(CC[NH+](C)C)C(=O)[*:1]
COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 COc1cccc(c1)C[*:1] CC(=O)N[C@H](C(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1)[*:1]
COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 COc1cccc(c1)[*:1] CC(=O)N[C@@H](C[*:1])C(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1
COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 CC(=O)N[*:1] COc1cccc(c1)C[C@H](C(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1)[*:1]
COC(=O)c1ccc(Cl)cc1N(CCCl)S(=O)(=O)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CCCl)c1cc(Cl)ccc1[*:1]
COC(=O)c1ccc(Cl)cc1N(CCCl)S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(Cl)cc1N(CCCl)S(=O)(=O)[*:1]
COC(=O)c1ccc(Cl)cc1N(CCCl)S(=O)(=O)c1ccc(C)cc1 ClCC[*:1] COC(=O)c1ccc(Cl)cc1N(S(=O)(=O)c1ccc(C)cc1)[*:1]
Cc1c(C(=O)Nc2ccsc2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccsc1
Cc1c(C(=O)Nc2ccsc2)cnn1-c1ccncc1 c1cc(cs1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N[*:1]
CC(C)COC(=O)N1CCCN(S(=O)(=O)CC2CCC2)CC1 C1CC(C1)[*:1] CC(C)COC(=O)N1CCCN(CC1)S(=O)(=O)C[*:1]
CC(C)COC(=O)N1CCCN(S(=O)(=O)CC2CCC2)CC1 CC(C)C[*:1] O=C(O[*:1])N1CCCN(CC1)S(=O)(=O)CC1CCC1
CC(C)COC(=O)N1CCCN(S(=O)(=O)CC2CCC2)CC1 CC(C)[*:1] O=C(OC[*:1])N1CCCN(CC1)S(=O)(=O)CC1CCC1
CC(C)COC(=O)N1CCCN(S(=O)(=O)CC2CCC2)CC1 C1CC(C1)C[*:1] CC(C)COC(=O)N1CCCN(CC1)S(=O)(=O)[*:1]
Clc1ccc(Cc2noc(Cc3nc(-c4cccs4)cs3)n2)cc1 Clc1ccc(cc1)C[*:1] c1csc(c1)-c1csc(Cc2nc(no2)[*:1])n1
Clc1ccc(Cc2noc(Cc3nc(-c4cccs4)cs3)n2)cc1 Clc1ccc(cc1)[*:1] c1csc(c1)-c1csc(Cc2nc(C[*:1])no2)n1
Clc1ccc(Cc2noc(Cc3nc(-c4cccs4)cs3)n2)cc1 c1csc(c1)[*:1] Clc1ccc(cc1)Cc1noc(Cc2nc(cs2)[*:1])n1
CCOC(=O)C(C)(C)n1cc(Nc2snc(Cl)c2C#N)cn1 CCOC(=O)[*:1] CC(C)(n1cc(cn1)Nc1snc(Cl)c1C#N)[*:1]
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)no1 Cc1cccc(O[*:1])c1C Cc1cc(no1)[N-]S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)no1 Cc1cccc(c1C)[*:1] Cc1cc(no1)[N-]S(=O)(=O)c1ccc(cc1)NC(=O)CO[*:1]
CCOc1ccccc1NC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C Cc1nnnn1[*:1] CCOc1ccccc1NC(=O)C(=Cc1ccc(F)cc1)[*:1]
CCOc1ccccc1NC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C Fc1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)C(=C[*:1])n1nnnc1C
CCOc1ccccc1NC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C CCOc1ccccc1[*:1] Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[*:1]
CCOc1ccccc1NC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C CCO[*:1] Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)Nc1ccccc1[*:1]
CCCc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@]23C(=O)N(C)c2ccccc23)s1 CCC[*:1] CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2c1nnc(s1)[*:1]
CCCc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@]23C(=O)N(C)c2ccccc23)s1 CCCc1nnc(s1)[*:1] CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2[*:1]
CSc1nc(C)c(CCC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c(C)n1 C1CCC(CC1)[*:1] CSc1nc(C)c(CCC(=O)Nc2ccc(cc2)C(=O)N(C)[*:1])c(C)n1
CSc1nc(C)c(CCC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c(C)n1 CSc1nc(C)c(c(C)n1)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)CC[*:1])C1CCCCC1
CSc1nc(C)c(CCC(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c(C)n1 CN(C(=O)[*:1])C1CCCCC1 CSc1nc(C)c(CCC(=O)Nc2ccc(cc2)[*:1])c(C)n1
CSc1ccc(C(=O)Nc2cccc(NC(N)=O)c2)cn1 NC(=O)N[*:1] CSc1ccc(cn1)C(=O)Nc1cccc(c1)[*:1]
CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(OC)c3)ccc21 COc1cccc(c1)[*:1] CCC(=O)N1CCc2cc(ccc21)S(=O)(=O)NC[*:1]
O=C(CNC(=O)c1ccc2c(c1)OCO2)NC1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(CNC(=O)c1ccc2OCOc2c1)NC1CCN(CC1)C(=O)[*:1]
O=C(CNC(=O)c1ccc2c(c1)OCO2)NC1CCN(C(=O)c2ccco2)CC1 c1cc2OCOc2cc1[*:1] O=C(CNC(=O)[*:1])NC1CCN(CC1)C(=O)c1ccco1
Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)O1 NC(=O)[*:1] Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](O1)[*:1]
Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)O1 c1ccc(cc1)[*:1] Cc1nc(C[*:1])sc1[C@@H](C)[NH2+]C[C@H]1CC[C@@H](O1)C(N)=O
Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)O1 c1ccc(cc1)C[*:1] Cc1nc(sc1[C@@H](C)[NH2+]C[C@H]1CC[C@@H](O1)C(N)=O)[*:1]
COc1cccc(N2CC[C@@H](CNC(=O)N(C3CC3)[C@H](C)C(C)C)C2)c1 CC(C)[C@@H](C)[*:1] COc1cccc(c1)N1CC[C@@H](CNC(=O)N(C2CC2)[*:1])C1
COc1cccc(N2CC[C@@H](CNC(=O)N(C3CC3)[C@H](C)C(C)C)C2)c1 CC(C)[*:1] COc1cccc(c1)N1CC[C@@H](CNC(=O)N(C2CC2)[C@H](C)[*:1])C1
COc1cccc(N2CC[C@@H](CNC(=O)N(C3CC3)[C@H](C)C(C)C)C2)c1 C1CC1[*:1] COc1cccc(c1)N1CC[C@@H](CNC(=O)N([C@H](C)C(C)C)[*:1])C1
COc1cccc(N2CC[C@@H](CNC(=O)N(C3CC3)[C@H](C)C(C)C)C2)c1 COc1cccc(c1)[*:1] CC(C)[C@@H](C)N(C(=O)NC[C@@H]1CCN(C1)[*:1])C1CC1
Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccccc1[*:1]
C=CC/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(OC)c(OC)c2)S1 C=CC[*:1] COc1ccc(cc1OC)NC(=O)C[C@@H]1SC(=N[*:1])NC1=O
CC[C@@](C)([C@@H](O)c1ccccc1C(F)(F)F)[NH+](C)C FC(F)(F)[*:1] CC[C@@](C)([C@@H](O)c1ccccc1[*:1])[NH+](C)C
CN1C[C@]2(CCCN(C(=O)c3ccccc3-n3cncn3)C2)OC1=O c1ncn(n1)[*:1] CN1C[C@]2(CCCN(C2)C(=O)c2ccccc2[*:1])OC1=O
CC(C)(C)NC(=O)COc1ccc(Cl)cc1 CC(C)(C)[*:1] O=C(COc1ccc(Cl)cc1)N[*:1]
Cc1nc(C[NH+](C)C2CCN(C(=O)OC(C)(C)C)CC2)no1 Cc1nc(C[*:1])no1 C[NH+](C1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
Cc1nc(C[NH+](C)C2CCN(C(=O)OC(C)(C)C)CC2)no1 CC(C)(C)[*:1] Cc1nc(C[NH+](C)C2CCN(CC2)C(=O)O[*:1])no1
Cc1nc(C[NH+](C)C2CCN(C(=O)OC(C)(C)C)CC2)no1 Cc1nc(no1)[*:1] C[NH+](C[*:1])C1CCN(CC1)C(=O)OC(C)(C)C
CCCn1nc(C(=O)N[C@@H](C)C[C@H](C)CC)ccc1=O CC[C@@H](C)[*:1] CCCn1nc(ccc1=O)C(=O)N[C@@H](C)C[*:1]
CCCn1nc(C(=O)N[C@@H](C)C[C@H](C)CC)ccc1=O CC[C@@H](C)C[*:1] CCCn1nc(ccc1=O)C(=O)N[C@@H](C)[*:1]
CCCn1nc(C(=O)N[C@@H](C)C[C@H](C)CC)ccc1=O CCC[*:1] CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(=O)n(n1)[*:1]
COc1ccccc1CN(C)C(=O)CN1CCN(c2ccccc2)CC1 COc1ccccc1[*:1] CN(C[*:1])C(=O)CN1CCN(CC1)c1ccccc1
COc1ccccc1CN(C)C(=O)CN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1CN(C)C(=O)CN1CCN(CC1)[*:1]
C[C@@H](Cn1cnc2ccc(N)cc2c1=O)C(N)=O C[C@@H](C[*:1])C(N)=O Nc1ccc2ncn(c(=O)c2c1)[*:1]
C[C@@H](Cn1cnc2ccc(N)cc2c1=O)C(N)=O C[C@@H](C(N)=O)[*:1] Nc1ccc2ncn(C[*:1])c(=O)c2c1
C[C@@H](Cn1cnc2ccc(N)cc2c1=O)C(N)=O NC(=O)[*:1] C[C@@H](Cn1cnc2ccc(N)cc2c1=O)[*:1]
CCCCN/C([O-])=C(\C#N)C(=O)[C@@H]1COc2ccccc2C1 CCCCN[*:1] N#C/C(C(=O)[C@@H]1COc2ccccc2C1)=C(/[O-])[*:1]
CCCCN/C([O-])=C(\C#N)C(=O)[C@@H]1COc2ccccc2C1 CCCC[*:1] N#C/C(C(=O)[C@@H]1COc2ccccc2C1)=C(/[O-])N[*:1]
CCCCN/C([O-])=C(\C#N)C(=O)[C@@H]1COc2ccccc2C1 CCC[*:1] N#C/C(C(=O)[C@@H]1COc2ccccc2C1)=C(/[O-])NC[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)Nc2nnc(C(C)C)s2)C1 CC(=O)N[*:1] CC(C)c1nnc(NC(=O)N2CCC[C@H](C2)[*:1])s1
CC(=O)N[C@@H]1CCCN(C(=O)Nc2nnc(C(C)C)s2)C1 CC(C)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)Nc1nnc(s1)[*:1]
CCOC[C@H]1CCN(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)C1 CCO[*:1] Cc1ccnc(n1)-c1ccc(cc1)NC(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)C1 CCOC[*:1] Cc1ccnc(n1)-c1ccc(cc1)NC(=O)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)C1 Cc1ccnc(n1)[*:1] CCOC[C@H]1CCN(C1)C(=O)Nc1ccc(cc1)[*:1]
O=C(CSc1nnc(C2=c3ccccc3=[NH+]C2)o1)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(CSc1nnc(o1)C1C[NH+]=c2ccccc2=1)N1CCN(CC1)[*:1]
O=C(C[NH+]1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1)N1CCc2ccccc21 FC(F)(F)[*:1] O=C(C[NH+]1CCC(CC1)Cn1c(nc2ccccc21)[*:1])N1CCc2ccccc21
Nc1cccc(OCCNc2nc3c(Br)cccn3n2)c1 Nc1cccc(c1)[*:1] Brc1cccn2nc(nc12)NCCO[*:1]
CCCNC(=O)O[C@@H]1CC[NH2+]C1 CCC[*:1] O=C(N[*:1])O[C@@H]1CC[NH2+]C1
CCOC(=O)CN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C CCOC(=O)C[*:1] CC1=NN(c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C)[*:1]
CCOC(=O)CN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C CCOC(=O)[*:1] CC1=NN(C[*:1])c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C
COC[C@H](C)[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] COC[C@H](C)[NH+]1CCN(CC1)[C@H](C)[*:1]
COC[C@H](C)[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 C1CC1[*:1] COC[C@H](C)[NH+]1CCN(CC1)[C@H](C)C(=O)N[*:1]
COC[C@H](C)[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 COC[*:1] C[C@H]([NH+]1CCN(CC1)[C@H](C)C(=O)NC1CC1)[*:1]
C[NH2+][C@H](CSC(C)(C)C)[C@H]1CCOC2(CCCCC2)C1 CC(C)(C)S[*:1] C[NH2+][C@H](C[*:1])[C@H]1CCOC2(CCCCC2)C1
C[NH2+][C@H](CSC(C)(C)C)[C@H]1CCOC2(CCCCC2)C1 CC(C)(C)SC[*:1] C[NH2+][C@H]([C@H]1CCOC2(CCCCC2)C1)[*:1]
C[NH2+][C@H](CSC(C)(C)C)[C@H]1CCOC2(CCCCC2)C1 CC(C)(C)[*:1] C[NH2+][C@H](CS[*:1])[C@H]1CCOC2(CCCCC2)C1
O[C@@H]1[C@H](Oc2ccc(Br)cc2Br)O[C@@H]2CO[C@H](c3ccco3)O[C@H]2[C@@H]1O c1coc(c1)[*:1] O[C@@H]1[C@H](Oc2ccc(Br)cc2Br)O[C@@H]2CO[C@H](O[C@H]2[C@@H]1O)[*:1]
O[C@@H]1[C@H](Oc2ccc(Br)cc2Br)O[C@@H]2CO[C@H](c3ccco3)O[C@H]2[C@@H]1O Brc1ccc(c(Br)c1)[*:1] O[C@@H]1[C@@H](O[C@@H]2CO[C@@H](O[C@H]2[C@@H]1O)c1ccco1)O[*:1]
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccccc1 O=[N+]([O-])[*:1] O=C(NNc1ccc(cc1)[*:1])[C@@H]1C[C@H]1c1ccccc1
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NNc1ccc(cc1)[N+](=O)[O-])[C@@H]1C[C@@H]1[*:1]
Cc1ccc(C(F)(F)C(F)(F)c2ccccc2C#N)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccccc1C(F)(F)C(F)(F)[*:1]
COc1ccccc1N1CC[C@H](N[C@@H](C)c2cnc(C)s2)C1=O Cc1ncc(s1)[*:1] COc1ccccc1N1CC[C@H](N[C@@H](C)[*:1])C1=O
O=[N+]([O-])c1ccc(Cl)cc1Cn1cncn1 c1ncn(n1)[*:1] O=[N+]([O-])c1ccc(Cl)cc1C[*:1]
O=[N+]([O-])c1ccc(Cl)cc1Cn1cncn1 O=[N+]([O-])[*:1] Clc1ccc(c(c1)Cn1cncn1)[*:1]
C[C@H](C(=O)[O-])[C@@H](C)[NH2+]Cc1cccc2ccccc12 O=C([O-])[*:1] C[C@H]([C@@H](C)[NH2+]Cc1cccc2ccccc12)[*:1]
COc1cc(NC(=O)N2CCC[C@@H]2c2nncn2C)ccc1Br Cn1cnnc1[*:1] COc1cc(ccc1Br)NC(=O)N1CCC[C@H]1[*:1]
Cc1ccccc1CSCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 C1CCC(C1)[*:1] Cc1ccccc1CSCCNC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1CSCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 Cc1ccccc1C[*:1] O=C(NCCS[*:1])[C@H]1CC(=O)N(C1)C1CCCC1
Cc1ccccc1CSCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 Cc1ccccc1[*:1] O=C(NCCSC[*:1])[C@H]1CC(=O)N(C1)C1CCCC1
Cc1ccc(C)c(Oc2ccc(CNC(=O)N3CC[C@H](C(N)=O)C3)cn2)c1 NC(=O)[*:1] Cc1ccc(C)c(c1)Oc1ccc(cn1)CNC(=O)N1CC[C@H](C1)[*:1]
Cc1ccc(C)c(Oc2ccc(CNC(=O)N3CC[C@H](C(N)=O)C3)cn2)c1 Cc1ccc(C)c(c1)[*:1] NC(=O)[C@H]1CCN(C1)C(=O)NCc1ccc(nc1)O[*:1]
Cc1ccc(C)c(Oc2ccc(CNC(=O)N3CC[C@H](C(N)=O)C3)cn2)c1 Cc1ccc(C)c(c1)O[*:1] NC(=O)[C@H]1CCN(C1)C(=O)NCc1ccc(nc1)[*:1]
CC1=C(C(=O)O[C@H](C)C(C)(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 CC(C)(C)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)O[C@H](C)[*:1])c1cccc(c1)[N+](=O)[O-]
CC1=C(C(=O)O[C@H](C)C(C)(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 C[C@H](C(C)(C)C)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)O[*:1])c1cccc(c1)[N+](=O)[O-]
CC1=C(C(=O)O[C@H](C)C(C)(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 O=[N+]([O-])[*:1] CC1NC(=O)N[C@@H](C=1C(=O)O[C@H](C)C(C)(C)C)c1cccc(c1)[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)NCC1(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)NCC1(CC1)[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)NCC1(Cc2ccccc2)CC1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])NCC1(CC1)Cc1ccccc1
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)NCC1(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)NCC1(CC1)C[*:1]
CN(Cc1ncnn1C)Cn1ccc(=O)c2cccc(Br)c21 Cn1ncnc1[*:1] CN(Cn1ccc(=O)c2cccc(Br)c21)C[*:1]
CN(Cc1ncnn1C)Cn1ccc(=O)c2cccc(Br)c21 Cn1ncnc1C[*:1] CN(Cn1ccc(=O)c2cccc(Br)c21)[*:1]
CC(C)(C)C[C@H](CO)NC(=O)C(=O)c1cnn(-c2ccccc2)c1 CC(C)(C)C[*:1] O=C(N[C@@H](CO)[*:1])C(=O)c1cnn(c1)-c1ccccc1
CC(C)(C)C[C@H](CO)NC(=O)C(=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)(C)C[C@H](CO)NC(=O)C(=O)c1cnn(c1)[*:1]
CC(C)(C)C[C@H](CO)NC(=O)C(=O)c1cnn(-c2ccccc2)c1 CC(C)(C)[*:1] O=C(N[C@@H](CO)C[*:1])C(=O)c1cnn(c1)-c1ccccc1
N#CCCN(CCN1CCOCC1)C(=O)c1ccc2[nH]cnc2c1 C1CN(CCO1)[*:1] N#CCCN(CC[*:1])C(=O)c1ccc2[nH]cnc2c1
N#CCCN(CCN1CCOCC1)C(=O)c1ccc2[nH]cnc2c1 C1CN(CCO1)C[*:1] N#CCCN(C[*:1])C(=O)c1ccc2[nH]cnc2c1
N#CCCN(CCN1CCOCC1)C(=O)c1ccc2[nH]cnc2c1 N#CC[*:1] O=C(c1ccc2[nH]cnc2c1)N(CCN1CCOCC1)C[*:1]
N#CCCN(CCN1CCOCC1)C(=O)c1ccc2[nH]cnc2c1 C1CN(CCO1)CC[*:1] N#CCCN(C(=O)c1ccc2[nH]cnc2c1)[*:1]
N#CCCN(CCN1CCOCC1)C(=O)c1ccc2[nH]cnc2c1 N#CCC[*:1] O=C(c1ccc2[nH]cnc2c1)N(CCN1CCOCC1)[*:1]
Cc1cccc(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)c1C Cc1cccc(c1C)[*:1] N#Cc1cn(CC(=O)N[*:1])c2ccc(Br)cc12
Cn1cnc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 O=[N+]([O-])[*:1] Cn1cnc(CNC(=O)c2ccc(c(Cl)c2)[*:1])n1
Cn1cnc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])c1ccc(c(Cl)c1)[N+](=O)[O-]
CCC(CC)(NC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)Nc1cc(Cl)cc(Cl)c1)[*:1]
Cc1[nH]/c(=N/C(=O)C2=C3CCC[C@H]3S[C@@H]2n2cnnn2)sc1C c1nnnn1[*:1] Cc1[nH]/c(=N/C(=O)C2=C3CCC[C@H]3S[C@H]2[*:1])sc1C
C[C@@](Nc1ccccc1F)(C(=O)[O-])c1cc(F)cc(F)c1 Fc1ccccc1[*:1] C[C@@](N[*:1])(C(=O)[O-])c1cc(F)cc(F)c1
C[C@@](Nc1ccccc1F)(C(=O)[O-])c1cc(F)cc(F)c1 O=C([O-])[*:1] C[C@@](Nc1ccccc1F)(c1cc(F)cc(F)c1)[*:1]
Cc1ccc(OC[C@@H](O)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c(C)c1 Cc1ccc(O[*:1])c(C)c1 Cn1cc(cn1)C[C@@H]1CC(=O)N(C[C@H](O)C[*:1])C1=O
Cc1ccc(OC[C@@H](O)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c(C)c1 Cn1cc(cn1)[*:1] Cc1ccc(OC[C@@H](O)CN2C(=O)C[C@@H](C[*:1])C2=O)c(C)c1
Cc1ccc(OC[C@@H](O)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c(C)c1 Cn1cc(cn1)C[*:1] Cc1ccc(OC[C@@H](O)CN2C(=O)C[C@@H](C2=O)[*:1])c(C)c1
Cc1ccc(OC[C@@H](O)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cn1cc(cn1)C[C@@H]1CC(=O)N(C[C@H](O)CO[*:1])C1=O
Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@H]3CCCN(c4nc5cccnc5s4)C3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCCC[NH+]1CCN(CC1)[*:1])[C@H]1CCCN(C1)c1nc2cccnc2s1
Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)[C@H]3CCCN(c4nc5cccnc5s4)C3)CC2)c1 c1cnc2sc(nc2c1)[*:1] Cc1ccc(C)c(c1)N1CC[NH+](CCCNC(=O)[C@H]2CCCN(C2)[*:1])CC1
CCCc1cc(NC(=O)C2=Cc3ccc(OC)cc3OC2)n(C)n1 CCC[*:1] COc1ccc2C=C(COc2c1)C(=O)Nc1cc(nn1C)[*:1]
COc1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)N1CCCN(CC1)S(C)(=O)=O
CC(C)Oc1cccc(CNC(=O)CCc2nc3ccccc3s2)c1 CC(C)O[*:1] O=C(CCc1nc2ccccc2s1)NCc1cccc(c1)[*:1]
CC(C)Oc1cccc(CNC(=O)CCc2nc3ccccc3s2)c1 CC(C)[*:1] O=C(CCc1nc2ccccc2s1)NCc1cccc(c1)O[*:1]
C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N[*:1]
C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NC[*:1]
C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NC[C@@H]1CCCO1 C1CC1[*:1] C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1[*:1])C(=O)NC[C@@H]1CCCO1
C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NC[C@@H]1CCCO1 c1ccc2c(c[nH]c2c1)[*:1] C[C@H](Sc1nnc(n1C1CC1)[*:1])C(=O)NC[C@@H]1CCCO1
C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NC[C@@H]1CCCO1 O=C(NC[C@@H]1CCCO1)[*:1] C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)[*:1]
C/N=c1\scc(-c2ccc3c(c2)OCCO3)n1/N=C/c1ccc(NC(C)=O)cc1 CC(=O)N[*:1] C/N=c1\scc(-c2ccc3OCCOc3c2)n1/N=C/c1ccc(cc1)[*:1]
O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)NC12CC3CC(CC(C3)C1)C2 Clc1ccc(cc1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)NC12CC3CC(CC(C3)C1)C2
Cc1ccc(C(=O)N2CCCSC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1
CCOc1cccc(CN2CCOC3(CCCC3)C2)c1OC(F)F FC(F)[*:1] CCOc1cccc(CN2CCOC3(CCCC3)C2)c1O[*:1]
CCOc1cccc(CN2CCOC3(CCCC3)C2)c1OC(F)F FC(F)O[*:1] CCOc1cccc(CN2CCOC3(CCCC3)C2)c1[*:1]
CCOc1cccc(CN2CCOC3(CCCC3)C2)c1OC(F)F CCO[*:1] FC(F)Oc1c(cccc1[*:1])CN1CCOC2(CCCC2)C1
Cc1cscc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] Cc1cscc1C(=O)N1CC[C@H]([C@H]1C)[*:1]
CC1(C)O[C@@](C)(Oc2ccc([N+](=O)[O-])cc2)[C@@](C)(O)[C@@](C)(O)[C@]1(C)O O=[N+]([O-])[*:1] CC1(C)O[C@@](C)(Oc2ccc(cc2)[*:1])[C@@](C)(O)[C@@](C)(O)[C@]1(C)O
CC(C)[C@H](CI)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C1c2ccccc2C(=O)N1[C@@H](CI)[*:1]
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1OC(F)F O=[N+]([O-])[*:1] O=C(COc1ccc(Cl)cc1[*:1])Nc1ccccc1OC(F)F
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1OC(F)F FC(F)[*:1] O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1O[*:1]
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1OC(F)F FC(F)O[*:1] O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1[*:1]
CCc1ccc(N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)N[C@@H](C)C(=O)Nc1cc(ccc1OC)[*:1]
CCc1ccc(N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)[C@H](C)N[*:1])[N+](=O)[O-]
Cc1c(C(=O)Nc2nc(COc3ccccc3)cs2)cccc1[N+](=O)[O-] c1ccc(cc1)O[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1nc(cs1)C[*:1]
Cc1c(C(=O)Nc2nc(COc3ccccc3)cs2)cccc1[N+](=O)[O-] c1ccc(cc1)OC[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1nc(cs1)[*:1]
Cc1c(C(=O)Nc2nc(COc3ccccc3)cs2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1nc(cs1)COc1ccccc1
Cc1c(C(=O)Nc2nc(COc3ccccc3)cs2)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1nc(cs1)CO[*:1]
COCCNC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 COC[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)NC[*:1]
COCCNC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 COCC[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)N[*:1]
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NCCNC(=O)C2CC2)C1 O=C(NCC[*:1])C1CC1 C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)N[*:1]
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NCCNC(=O)C2CC2)C1 O=C(NC[*:1])C1CC1 C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)NC[*:1]
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NCCNC(=O)C2CC2)C1 O=C(N[*:1])C1CC1 C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)NCC[*:1]
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NCCNC(=O)C2CC2)C1 C1CC1[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)NCCNC(=O)[*:1]
CCc1ccc(-c2ccc(C(=O)NCCn3cnnc3CC)o2)cc1 CCc1nncn1C[*:1] CCc1ccc(cc1)-c1ccc(o1)C(=O)NC[*:1]
CCc1ccc(-c2ccc(C(=O)NCCn3cnnc3CC)o2)cc1 CCc1nncn1[*:1] CCc1ccc(cc1)-c1ccc(o1)C(=O)NCC[*:1]
CCc1ccc(-c2ccc(C(=O)NCCn3cnnc3CC)o2)cc1 CCc1ccc(cc1)[*:1] CCc1nncn1CCNC(=O)c1ccc(o1)[*:1]
Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(F)c(F)c2)cc1F Cc1ccc(cc1F)[*:1] O=C(Cc1ccc(F)c(F)c1)NCCNC(=O)[*:1]
Cc1ccc(C(=O)NCCNC(=O)Cc2ccc(F)c(F)c2)cc1F Fc1ccc(cc1F)[*:1] Cc1ccc(cc1F)C(=O)NCCNC(=O)C[*:1]
Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)COC(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(/C=C/C(=O)OCC(=O)N[*:1])cc1
COc1cccc(C(=O)N/N=C/c2ccc(Sc3cccc4cccnc34)o2)c1 COc1cccc(c1)[*:1] O=C(N/N=C/c1ccc(o1)Sc1cccc2cccnc12)[*:1]
Cc1sc(NC(=O)c2cc(F)c(F)cc2Cl)c(C(N)=O)c1C NC(=O)[*:1] Cc1sc(NC(=O)c2cc(F)c(F)cc2Cl)c(c1C)[*:1]
CCCC[C@@H]1C(=O)N(C)CCN1C(=O)[C@@H](C)n1cccn1 C[C@@H](n1cccn1)[*:1] CCCC[C@@H]1C(=O)N(C)CCN1C(=O)[*:1]
CCCC[C@@H]1C(=O)N(C)CCN1C(=O)[C@@H](C)n1cccn1 CCCC[*:1] C[C@H](C(=O)N1CCN(C)C(=O)[C@H]1[*:1])n1cccn1
CCCC[C@@H]1C(=O)N(C)CCN1C(=O)[C@@H](C)n1cccn1 c1cnn(c1)[*:1] CCCC[C@@H]1C(=O)N(C)CCN1C(=O)[C@@H](C)[*:1]
CCCC[C@@H]1C(=O)N(C)CCN1C(=O)[C@@H](C)n1cccn1 CCC[*:1] C[C@H](C(=O)N1CCN(C)C(=O)[C@H]1C[*:1])n1cccn1
COc1ccc(/C([O-])=C/C(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)/C([O-])=C/C(=O)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
COc1ccc(/C([O-])=C/C(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1c(NC(=O)C(=O)/C=C(\[O-])[*:1])c(=O)n(-c2ccccc2)n1C
CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C(C)=O)CC2)cc1 CCO[*:1] CC(=O)N1CCN(CC1)CC(=O)N(CCC#N)c1ccc(cc1)[*:1]
CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C(C)=O)CC2)cc1 N#CCC[*:1] CCOc1ccc(cc1)N(C(=O)CN1CCN(CC1)C(C)=O)[*:1]
CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C(C)=O)CC2)cc1 N#CC[*:1] CCOc1ccc(cc1)N(C[*:1])C(=O)CN1CCN(CC1)C(C)=O
O=C(CNC(=O)N1CC(O)=Nc2ccccc21)Nc1nccs1 c1csc(n1)[*:1] O=C(CNC(=O)N1CC(O)=Nc2ccccc21)N[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O CC(C)(C)[*:1] COc1ccc(cc1NC(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc2OCCCOc2c1)[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O c1cc2OCCCOc2cc1[*:1] COc1ccc(cc1NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1])C(C)(C)C
Cn1cc(C(=O)NNC(=O)NCc2nc3ccccc3s2)c2ccccc21 c1ccc2sc(nc2c1)[*:1] Cn1cc(C(=O)NNC(=O)NC[*:1])c2ccccc21
Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3cccc(Cl)c3C)c2=O)s1 Cc1ccc(s1)[*:1] Cc1c(Cl)cccc1-n1c(sc(=C[*:1])c1=O)=C(C#N)C#N
Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3cccc(Cl)c3C)c2=O)s1 Cc1c(Cl)cccc1[*:1] Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(c2=O)[*:1])s1
CNS(=O)(=O)c1cccnc1Nc1cccc(SC)c1 CNS(=O)(=O)[*:1] CSc1cccc(c1)Nc1ncccc1[*:1]
CCSc1ccccc1NC(=O)N[C@@H](C)C[C@H](O)c1ccco1 c1coc(c1)[*:1] CCSc1ccccc1NC(=O)N[C@@H](C)C[C@H](O)[*:1]
CCSc1ccccc1NC(=O)N[C@@H](C)C[C@H](O)c1ccco1 O[C@H](c1ccco1)[*:1] CCSc1ccccc1NC(=O)N[C@@H](C)C[*:1]
CCSc1ccccc1NC(=O)N[C@@H](C)C[C@H](O)c1ccco1 CCS[*:1] C[C@@H](C[C@H](O)c1ccco1)NC(=O)Nc1ccccc1[*:1]
Cc1ccc([C@@H](CNC(=O)NCCc2ncnn2C)N2CCOCC2)o1 Cn1ncnc1[*:1] Cc1ccc(o1)[C@@H](CNC(=O)NCC[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)NCCc2ncnn2C)N2CCOCC2)o1 Cn1ncnc1CC[*:1] Cc1ccc(o1)[C@@H](CNC(=O)N[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)NCCc2ncnn2C)N2CCOCC2)o1 Cc1ccc(o1)[*:1] Cn1ncnc1CCNC(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1ccc([C@@H](CNC(=O)NCCc2ncnn2C)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)NCCc1ncnn1C)[*:1]
Cc1ccc([C@@H](CNC(=O)NCCc2ncnn2C)N2CCOCC2)o1 Cn1ncnc1C[*:1] Cc1ccc(o1)[C@@H](CNC(=O)NC[*:1])N1CCOCC1
CS(=O)(=O)[C@H]1CCC[C@H](Oc2ccccc2C(N)=S)C1 NC(=S)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)Oc1ccccc1[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](Oc2ccccc2C(N)=S)C1 CS(=O)(=O)[*:1] NC(=S)c1ccccc1O[C@H]1CCC[C@@H](C1)[*:1]
Fc1ccccc1SCC[NH2+]Cc1ccccn1 c1ccc(nc1)[*:1] Fc1ccccc1SCC[NH2+]C[*:1]
COc1cccc(C(=O)Nc2cc(N3CCOC3=O)ccc2C)c1F O=C1OCCN1[*:1] COc1cccc(C(=O)Nc2cc(ccc2C)[*:1])c1F
COCc1csc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)n1 COC[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)Nc1nc(cs1)[*:1]
COCc1csc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)n1 COCc1csc(n1)[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COCc1csc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)n1 CC(C)C[*:1] COCc1csc(n1)NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
COCc1csc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)n1 CC(C)[*:1] COCc1csc(n1)NC(=O)[C@H]1CCCN(C1)C(=O)NC[*:1]
CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc12 CCOC(=O)[*:1] Cc1oc2ccc(cc2c1[*:1])NS(=O)(=O)c1cc(ccc1Cl)[N+](=O)[O-]
CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc12 O=[N+]([O-])[*:1] CCOC(=O)c1c(C)oc2ccc(cc12)NS(=O)(=O)c1cc(ccc1Cl)[*:1]
Cc1ccc2nc(CCl)n(C(C)(C)C)c2c1 CC(C)(C)[*:1] Cc1ccc2nc(CCl)n(c2c1)[*:1]
O=C([O-])c1cccc2cccc(C(=O)NC3COC3)c12 C1OCC1[*:1] O=C([O-])c1cccc2cccc(C(=O)N[*:1])c12
O=C([O-])c1cccc2cccc(C(=O)NC3COC3)c12 O=C([O-])[*:1] O=C(NC1COC1)c1cccc2cccc(c12)[*:1]
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)nc1C CCOC(=O)c1sc(nc1C)[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2cc3ccccc3o2)=C([O-])C(=O)N1[*:1]
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)nc1C Cc1ccc(o1)[*:1] CCOC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2cc3ccccc3o2)[C@H]1[*:1]
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)nc1C c1ccc2oc(cc2c1)[*:1] CCOC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(C)o1
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)nc1C CCOC(=O)[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2cc3ccccc3o2)=C([O-])C(=O)N1c1nc(C)c(s1)[*:1]
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C)o2)nc1C O=C(c1cc2ccccc2o1)[*:1] CCOC(=O)c1sc(nc1C)N1C(=O)C([O-])=C([C@@H]1c1ccc(C)o1)[*:1]
COc1cccc(N2CCC[C@H](NC(=O)C#Cc3ccccc3)C2)c1 COc1cccc(c1)[*:1] O=C(C#Cc1ccccc1)N[C@H]1CCCN(C1)[*:1]
COc1cccc(N2CCC[C@H](NC(=O)C#Cc3ccccc3)C2)c1 C(#C[*:1])c1ccccc1 COc1cccc(c1)N1CCC[C@@H](C1)NC(=O)[*:1]
COc1cccc(N2CCC[C@H](NC(=O)C#Cc3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1CCC[C@@H](C1)NC(=O)C#C[*:1]
CCOC(=O)c1c(C)sc(Sc2ccccc2[N+](=O)[O-])c1[O-] CCOC(=O)[*:1] Cc1sc(Sc2ccccc2[N+](=O)[O-])c([O-])c1[*:1]
CCOC(=O)c1c(C)sc(Sc2ccccc2[N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] CCOC(=O)c1c(C)sc(Sc2ccccc2[*:1])c1[O-]
Cc1ccc([C@H]2C[C@H]2C(=O)NCC(C)(C)[NH+](C)C)s1 Cc1ccc(s1)[*:1] C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@@H]1[*:1]
Cc1cc(C)c(C(=O)[O-])c(Sc2cccc(F)c2)n1 O=C([O-])[*:1] Cc1cc(C)c(c(n1)Sc1cccc(F)c1)[*:1]
CC[C@@H](O)CCNc1cc(C(C)C)nc(C(C)C)n1 CC(C)[*:1] CC[C@@H](O)CCNc1cc(nc(n1)C(C)C)[*:1]
CC[C@@H](O)CCNc1cc(C(C)C)nc(C(C)C)n1 CC(C)[*:1] CC[C@@H](O)CCNc1cc(nc(n1)[*:1])C(C)C
CC[C@@H](O)CCNc1cc(C(C)C)nc(C(C)C)n1 CC[C@@H](O)[*:1] CC(C)c1cc(nc(n1)C(C)C)NCC[*:1]
CC[C@@H](O)CCNc1cc(C(C)C)nc(C(C)C)n1 CC[C@@H](O)C[*:1] CC(C)c1cc(nc(n1)C(C)C)NC[*:1]
CC[C@@H](O)CCNc1cc(C(C)C)nc(C(C)C)n1 CC[C@@H](O)CC[*:1] CC(C)c1cc(nc(n1)C(C)C)N[*:1]
Cn1nccc1CNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 Cn1nccc1[*:1] O=C(NC[*:1])C(=O)Nc1ccc(OC2CCCC2)c(F)c1
Cn1nccc1CNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 C1CCC(C1)[*:1] Cn1nccc1CNC(=O)C(=O)Nc1ccc(O[*:1])c(F)c1
Cn1nccc1CNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 Cn1nccc1C[*:1] O=C(Nc1ccc(OC2CCCC2)c(F)c1)C(=O)N[*:1]
Cn1nccc1CNC(=O)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 C1CCC(C1)O[*:1] Cn1nccc1CNC(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)(C)OC(=O)N1CC(=CC(=O)N2CCN(c3ccccc3)CC2)C1 CC(C)(C)[*:1] O=C(C=C1CN(C1)C(=O)O[*:1])N1CCN(CC1)c1ccccc1
CC(C)(C)OC(=O)N1CC(=CC(=O)N2CCN(c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CC(=CC(=O)N2CCN(CC2)[*:1])C1
CCOC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 CCOC(=O)[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
CC(C)C[C@@H](C(=O)NCc1ccccn1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CC(C)[*:1] O=C(NCc1ccccn1)[C@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
CC(C)C[C@@H](C(=O)NCc1ccccn1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O c1ccc(nc1)[*:1] CC(C)C[C@@H](C(=O)NC[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
CC(C)C[C@@H](C(=O)NCc1ccccn1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CC(C)C[*:1] O=C(NCc1ccccn1)[C@@H](N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[*:1]
CC(C)C[C@@H](C(=O)NCc1ccccn1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O c1ccc(C[*:1])nc1 CC(C)C[C@@H](C(=O)N[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
Cc1cccc2nc([C@@H]([NH3+])CCO)oc12 OCC[*:1] Cc1cccc2nc(oc12)[C@@H]([NH3+])[*:1]
O=C(Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1ccc(cc1)-c1nc2cc(Cl)ccc2[nH]1)[*:1]
CCOC(=O)c1csc(NC(=O)[C@@H](C)Oc2ccccc2Cl)n1 Clc1ccccc1[*:1] CCOC(=O)c1csc(n1)NC(=O)[C@@H](C)O[*:1]
CCOC(=O)c1csc(NC(=O)[C@@H](C)Oc2ccccc2Cl)n1 CCOC(=O)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(cs1)[*:1]
C[C@H]1CN(S(=O)(=O)N2CC=C(c3ccccc3)CC2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)N1CC=C(CC1)[*:1]
Cc1ccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1[N+](=O)[O-] Clc1cccc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc2nn(nc2c1)[*:1]
Cc1ccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccc2nn(nc2c1)-c1cccc(Cl)c1
COc1cc(C)c(C(=O)Cl)cc1OC O=C(Cl)[*:1] COc1cc(C)c(cc1OC)[*:1]
CN(CC(N)=O)C(=O)c1ccccc1O NC(=O)C[*:1] CN(C(=O)c1ccccc1O)[*:1]
CN(CC(N)=O)C(=O)c1ccccc1O NC(=O)[*:1] CN(C[*:1])C(=O)c1ccccc1O
CS(=O)(=O)N(C[C@H]1C=c2ccccc2=[NH+]C1=O)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)N(C[C@H]1C=c2ccccc2=[NH+]C1=O)[*:1]
Cc1noc(C)c1CC(=O)NCc1ccc(CN2CCOCC2)cc1 Cc1noc(C)c1[*:1] O=C(C[*:1])NCc1ccc(cc1)CN1CCOCC1
Cc1noc(C)c1CC(=O)NCc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1noc(C)c1CC(=O)NCc1ccc(cc1)C[*:1]
Cc1noc(C)c1CC(=O)NCc1ccc(CN2CCOCC2)cc1 Cc1noc(C)c1C[*:1] O=C(NCc1ccc(cc1)CN1CCOCC1)[*:1]
Cc1noc(C)c1CC(=O)NCc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] Cc1noc(C)c1CC(=O)NCc1ccc(cc1)[*:1]
c1ccc(-n2c(C[NH+]3CCCCC3)nnc2SC[C@@H]2COc3ccccc3O2)cc1 c1ccc(cc1)[*:1] c1ccc2O[C@@H](COc2c1)CSc1nnc(C[NH+]2CCCCC2)n1[*:1]
c1ccc(-n2c(C[NH+]3CCCCC3)nnc2SC[C@@H]2COc3ccccc3O2)cc1 c1ccc2O[C@@H](COc2c1)[*:1] c1ccc(cc1)-n1c(C[NH+]2CCCCC2)nnc1SC[*:1]
Cn1nccc1CNC(=S)Nc1cnn(Cc2ccccc2Cl)c1 Cn1nccc1[*:1] S=C(NC[*:1])Nc1cnn(c1)Cc1ccccc1Cl
Cn1nccc1CNC(=S)Nc1cnn(Cc2ccccc2Cl)c1 Cn1nccc1C[*:1] S=C(Nc1cnn(c1)Cc1ccccc1Cl)N[*:1]
Cn1nccc1CNC(=S)Nc1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] Cn1nccc1CNC(=S)Nc1cnn(c1)C[*:1]
Cn1nccc1CNC(=S)Nc1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1C[*:1] Cn1nccc1CNC(=S)Nc1cnn(c1)[*:1]
Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](CC(=O)N1CCC[C@@H](C1)c1nc2ccccc2cc1N)[*:1]
CC(C)N[C@@]1(C(N)=O)CCC[C@H](N2CCS(=O)(=O)CC2)C1 NC(=O)[*:1] CC(C)N[C@]1(CCC[C@@H](C1)N1CCS(=O)(=O)CC1)[*:1]
CC(C)N[C@@]1(C(N)=O)CCC[C@H](N2CCS(=O)(=O)CC2)C1 CC(C)N[*:1] NC(=O)[C@]1(CCC[C@@H](C1)N1CCS(=O)(=O)CC1)[*:1]
CC(C)N[C@@]1(C(N)=O)CCC[C@H](N2CCS(=O)(=O)CC2)C1 CC(C)[*:1] NC(=O)[C@@]1(CCC[C@@H](C1)N1CCS(=O)(=O)CC1)N[*:1]
CCc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)C2)cc1 CCc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc(o1)-c1ccn[nH]1
CCc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)C2)cc1 c1cc([nH]n1)[*:1] CCc1ccc(cc1)CNC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(o1)[*:1]
CCc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4ccn[nH]4)o3)C2)cc1 CCc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc(o1)-c1ccn[nH]1
CCOC(=O)C1=C2CN(CC)CCC2=NC(=S)[C@H]1C#N CCOC(=O)[*:1] CCN1CCC2=NC(=S)[C@@H](C#N)C(=C2C1)[*:1]
C=CCn1c(C)cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1C C=CC[*:1] Cc1nn(CC(=O)c2cc(C)n(c2C)[*:1])c(C)c1[N+](=O)[O-]
C=CCn1c(C)cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1C O=[N+]([O-])[*:1] C=CCn1c(C)cc(C(=O)Cn2nc(C)c(c2C)[*:1])c1C
C[C@H]1CN(Cc2ncccc2C(F)(F)F)[C@@H]1c1ccccc1 FC(F)(F)[*:1] C[C@H]1CN(Cc2ncccc2[*:1])[C@@H]1c1ccccc1
C[C@H]1CN(Cc2ncccc2C(F)(F)F)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CN(Cc2ncccc2C(F)(F)F)[C@H]1[*:1]
CC[C@H]([NH2+]CC1(CC(C)C)CCCC1)c1ccccc1 CC(C)C[*:1] CC[C@H]([NH2+]CC1(CCCC1)[*:1])c1ccccc1
CC[C@H]([NH2+]CC1(CC(C)C)CCCC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]([NH2+]CC1(CCCC1)CC(C)C)[*:1]
CC[C@H]([NH2+]CC1(CC(C)C)CCCC1)c1ccccc1 CC(C)[*:1] CC[C@H]([NH2+]CC1(CCCC1)C[*:1])c1ccccc1
COc1cccc(S(=O)(=O)CCC(=O)N[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)S(=O)(=O)CCC(=O)N[C@@H](C)[*:1]
COc1cccc(S(=O)(=O)CCC(=O)N[C@@H](C)c2ccccc2)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)CCS(=O)(=O)[*:1])c1ccccc1
COc1cccc(S(=O)(=O)CCC(=O)N[C@@H](C)c2ccccc2)c1 C[C@@H](c1ccccc1)[*:1] COc1cccc(c1)S(=O)(=O)CCC(=O)N[*:1]
CCCC(=O)N1CCCC[C@@H]1C(=O)N1CC(C)(C)C1(C)C CCC[*:1] CC1(C)CN(C(=O)[C@H]2CCCCN2C(=O)[*:1])C1(C)C
CC(=O)N1CCc2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)ccc21 Clc1ccccc1[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)NC[C@@H](N1CCOCC1)[*:1]
CC(=O)N1CCc2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)ccc21 C1CN(CCO1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)NC[C@@H](c1ccccc1Cl)[*:1]
CC(C)CN1C(=O)NC(=N)[C@@]12CCOC(C)(C)C2 CC(C)[*:1] CC1(C)C[C@@]2(CCO1)C(=N)NC(=O)N2C[*:1]
CC(C)CN1C(=O)NC(=N)[C@@]12CCOC(C)(C)C2 CC(C)C[*:1] CC1(C)C[C@@]2(CCO1)C(=N)NC(=O)N2[*:1]
Cc1ccc(NC(=O)NC[C@H](O)C2CCOCC2)cc1C C1CC(CCO1)[*:1] Cc1ccc(cc1C)NC(=O)NC[C@H](O)[*:1]
Cc1nc(NC(=O)c2oc3c(C)ccc(C)c3c2C)sc1SCC(N)=O NC(=O)C[*:1] Cc1nc(NC(=O)c2oc3c(C)ccc(C)c3c2C)sc1S[*:1]
Cc1nc(NC(=O)c2oc3c(C)ccc(C)c3c2C)sc1SCC(N)=O NC(=O)[*:1] Cc1nc(NC(=O)c2oc3c(C)ccc(C)c3c2C)sc1SC[*:1]
Cc1nc(NC(=O)c2oc3c(C)ccc(C)c3c2C)sc1SCC(N)=O NC(=O)CS[*:1] Cc1nc(NC(=O)c2oc3c(C)ccc(C)c3c2C)sc1[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(cc1)C(=O)N(C)[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 CN(C(=O)[*:1])C1CCCCC1 CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(cc1)[*:1]
O=C(OCc1ccccc1)N1CCC(O)(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(OCc1ccccc1)N1CCC(O)(CC1)[*:1]
O=C(OCc1ccccc1)N1CCC(O)(c2cccc(F)c2)CC1 c1ccc(cc1)[*:1] O=C(OC[*:1])N1CCC(O)(CC1)c1cccc(F)c1
O=C(OCc1ccccc1)N1CCC(O)(c2cccc(F)c2)CC1 c1ccc(cc1)C[*:1] O=C(O[*:1])N1CCC(O)(CC1)c1cccc(F)c1
O=C([O-])c1cccc(-c2c(F)cc(F)cc2F)c1 O=C([O-])[*:1] Fc1cc(F)c(-c2cccc(c2)[*:1])c(F)c1
COc1ccc2[nH]cc(CC(=O)NC[C@H](O)c3ccc(F)cc3)c2c1 Fc1ccc(cc1)[*:1] COc1ccc2[nH]cc(CC(=O)NC[C@H](O)[*:1])c2c1
O=C(NC[C@H]1CCCO1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] O=C(NC[C@H]1CCCO1)c1cccc(c1)NC(=O)[*:1]
CC(C)[C@H]([NH3+])C(=O)N(C)CC1CCN(C(=O)OCc2ccccc2)CC1 CC(C)[*:1] CN(CC1CCN(CC1)C(=O)OCc1ccccc1)C(=O)[C@@H]([NH3+])[*:1]
CC(C)[C@H]([NH3+])C(=O)N(C)CC1CCN(C(=O)OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)[C@H]([NH3+])C(=O)N(C)CC1CCN(CC1)C(=O)O[*:1]
CC(C)[C@H]([NH3+])C(=O)N(C)CC1CCN(C(=O)OCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@H]([NH3+])C(=O)N(C)CC1CCN(CC1)C(=O)OC[*:1]
CNC(=O)c1ccc(OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1 CNC(=O)[*:1] C[C@@H]1CCC[C@H](NC(=O)COc2ccc(cc2)[*:1])[C@@H]1C
c1cc(CNc2cccc3[nH+]cccc23)cc(C2CC2)c1 C1CC1[*:1] c1cc(cc(c1)[*:1])CNc1cccc2[nH+]cccc12
Cc1cc(C)c(CNC(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1cc(C)c(CNC(=O)N(C)Cc2cn(nc2[*:1])-c2ccccc2)c(=O)[nH]1
Cc1cc(C)c(CNC(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1cc(C)c(CNC(=O)N(C)Cc2cn(nc2-c2ccccc2)[*:1])c(=O)[nH]1
Cc1cc(C)c(CNC(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)[nH]1 Cc1cc(C)c(c(=O)[nH]1)[*:1] CN(Cc1cn(nc1-c1ccccc1)-c1ccccc1)C(=O)NC[*:1]
Cc1cc(C)c(CNC(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)[nH]1 Cc1cc(C)c(C[*:1])c(=O)[nH]1 CN(Cc1cn(nc1-c1ccccc1)-c1ccccc1)C(=O)N[*:1]
COCCS[C@@H]1CCC(C)(C)[C@H]1[NH3+] COCC[*:1] CC1(C)CC[C@@H](S[*:1])[C@@H]1[NH3+]
COCCS[C@@H]1CCC(C)(C)[C@H]1[NH3+] COC[*:1] CC1(C)CC[C@@H](SC[*:1])[C@@H]1[NH3+]
COc1ccccc1[C@H]1CCN(C(=O)Cc2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] COc1ccccc1[C@H]1CCN(C1)C(=O)C[*:1]
COc1ccccc1[C@H]1CCN(C(=O)Cc2c(F)cccc2F)C1 COc1ccccc1[*:1] O=C(Cc1c(F)cccc1F)N1CC[C@@H](C1)[*:1]
COc1ccc(CNC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1C Cc1n[nH]c(C)c1[*:1] COc1ccc(cc1C)CNC(=O)N1CCC[C@@H]1[*:1]
COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(F)cc1[*:1]
COc1ccc(OC)c([C@@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 COc1ccc(OC)c(c1)[*:1] C[C@@H](NC(=O)CCc1nc2sc3CCCc3c2c(=O)[nH]1)[*:1]
Cc1nc2c(-c3ccccc3)c(C)nn2c([O-])c1Cl c1ccc(cc1)[*:1] Cc1nc2c(c(C)nn2c([O-])c1Cl)[*:1]
CC(C)(C#N)NC(=O)c1ccc2ccc(Cl)cc2n1 CC(C)(C#N)[*:1] O=C(N[*:1])c1ccc2ccc(Cl)cc2n1
COc1ccccc1CC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 NC(=O)[*:1] COc1ccccc1CC(=O)Nc1sc2CCCCCc2c1[*:1]
COc1ccccc1CC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 COc1ccccc1[*:1] NC(=O)c1c(NC(=O)C[*:1])sc2CCCCCc21
CC(C)[NH+]1CCN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1 CC(C)[*:1] O=C(Cn1nnc(n1)-c1ccc(Cl)cc1)N1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1 Clc1ccc(cc1)[*:1] CC(C)[NH+]1CCN(CC1)C(=O)Cn1nnc(n1)[*:1]
CCOC(=O)N1CCC([NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)CC1 CC(C)[*:1] CCOC(=O)N1CCC(CC1)[NH2+]C[C@@H](N1CCc2ccccc2C1)[*:1]
O=C(c1ccccc1Cl)N1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 Clc1ccccc1[*:1] O=C(N1CCCN(CC1)Cc1cc(O)ccc1[N+](=O)[O-])[*:1]
O=C(c1ccccc1Cl)N1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1ccccc1Cl)N1CCCN(CC1)Cc1cc(O)ccc1[*:1]
Cn1cccc1C(=O)NNC(=O)[C@H]1COCCO1 Cn1cccc1[*:1] O=C(NNC(=O)[*:1])[C@H]1COCCO1
Cn1cccc1C(=O)NNC(=O)[C@H]1COCCO1 C1CO[C@H](CO1)[*:1] Cn1cccc1C(=O)NNC(=O)[*:1]
CCC[C@H](CC[NH3+])CCc1nc2c(C)cccc2s1 CCC[*:1] Cc1cccc2sc(CC[C@@H](CC[NH3+])[*:1])nc12
CCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O CCOC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc2C(=O)N(C(=O)c2c1)C1CC1
CCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O C1CC1[*:1] CCOC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC(C)CNC(=O)C1([NH2+]Cc2noc(-c3ccoc3)n2)CCCC1 c1cc(co1)[*:1] CC(C)CNC(=O)C1(CCCC1)[NH2+]Cc1noc(n1)[*:1]
CC(C)CNC(=O)C1([NH2+]Cc2noc(-c3ccoc3)n2)CCCC1 CC(C)[*:1] O=C(NC[*:1])C1(CCCC1)[NH2+]Cc1noc(n1)-c1ccoc1
CC(C)CNC(=O)C1([NH2+]Cc2noc(-c3ccoc3)n2)CCCC1 CC(C)C[*:1] O=C(N[*:1])C1(CCCC1)[NH2+]Cc1noc(n1)-c1ccoc1
CC(C)CNC(=O)C1([NH2+]Cc2noc(-c3ccoc3)n2)CCCC1 CC(C)CNC(=O)[*:1] c1cc(co1)-c1nc(C[NH2+]C2(CCCC2)[*:1])no1
COCc1nc(C[S@@](=O)Cc2c(C)cc(C)cc2C)cs1 COC[*:1] Cc1cc(C)c(C[S@](=O)Cc2csc(n2)[*:1])c(C)c1
CC[C@@H]([NH2+]Cc1ccc(C)cc1)c1ccc(OC(C)C)cc1 CC(C)[*:1] CC[C@@H]([NH2+]Cc1ccc(C)cc1)c1ccc(cc1)O[*:1]
CC[C@@H]([NH2+]Cc1ccc(C)cc1)c1ccc(OC(C)C)cc1 CC(C)O[*:1] CC[C@@H]([NH2+]Cc1ccc(C)cc1)c1ccc(cc1)[*:1]
CC[C@@H]([NH2+]Cc1ccc(C)cc1)c1ccc(OC(C)C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H]([NH2+]C[*:1])c1ccc(cc1)OC(C)C
O=C(c1ccnc(OC2CCC2)c1)N1CCC[C@H]2CCC[C@@H]21 C1CC(C1)O[*:1] O=C(c1ccnc(c1)[*:1])N1CCC[C@H]2CCC[C@@H]21
O=C(c1ccnc(OC2CCC2)c1)N1CCC[C@H]2CCC[C@@H]21 C1CC(C1)[*:1] O=C(c1ccnc(c1)O[*:1])N1CCC[C@H]2CCC[C@@H]21
COC(=O)NCc1ccc(NC(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)cc1 COC(=O)NC[*:1] C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(cc1)[*:1]
COC(=O)NCc1ccc(NC(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)cc1 COC(=O)N[*:1] C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(cc1)C[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N4CCCCC4)CC3)c2)no1 O=C(N1CCCCC1)[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N4CCCCC4)CC3)c2)no1 Cc1nc(no1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1cc(cs1)[*:1])N1CCCCC1
CCOC(=O)[C@]1(C)CCN(C(=O)CCCn2ccnn2)C1 c1cn(nn1)[*:1] CCOC(=O)[C@]1(C)CCN(C1)C(=O)CCC[*:1]
CCOC(=O)[C@]1(C)CCN(C(=O)CCCn2ccnn2)C1 CCOC(=O)[*:1] C[C@@]1(CCN(C1)C(=O)CCCn1ccnn1)[*:1]
CCOC(=O)[C@]1(C)CCN(C(=O)CCCn2ccnn2)C1 c1cn(C[*:1])nn1 CCOC(=O)[C@]1(C)CCN(C1)C(=O)CC[*:1]
CCOC(=O)[C@]1(C)CCN(C(=O)CCCn2ccnn2)C1 c1cn(CC[*:1])nn1 CCOC(=O)[C@]1(C)CCN(C1)C(=O)C[*:1]
C[C@H](CCOc1ccccc1)C(=O)N1CC[S@@](=O)C(C)(C)C1 c1ccc(cc1)O[*:1] C[C@H](CC[*:1])C(=O)N1CC[S@@](=O)C(C)(C)C1
C[C@H](CCOc1ccccc1)C(=O)N1CC[S@@](=O)C(C)(C)C1 c1ccc(cc1)[*:1] C[C@H](CCO[*:1])C(=O)N1CC[S@@](=O)C(C)(C)C1
COc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3C)n2)cc1OC Cc1ccccc1[*:1] COc1ccc(cc1OC)-c1noc(n1)[C@H](C)NC(=O)[*:1]
CC(C)Cn1cnc2c1c(=O)n(CC(=O)NC1CCCCCC1)c(=O)n2Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)Cn1cnc2c1c(=O)n(CC(=O)NC1CCCCCC1)c(=O)n2C[*:1]
CC(C)Cn1cnc2c1c(=O)n(CC(=O)NC1CCCCCC1)c(=O)n2Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)Cn1cnc2c1c(=O)n(CC(=O)NC1CCCCCC1)c(=O)n2[*:1]
CC(C)Cn1cnc2c1c(=O)n(CC(=O)NC1CCCCCC1)c(=O)n2Cc1ccccc1 CC(C)C[*:1] O=C(Cn1c(=O)c2c(ncn2[*:1])n(Cc2ccccc2)c1=O)NC1CCCCCC1
CC(C)Cn1cnc2c1c(=O)n(CC(=O)NC1CCCCCC1)c(=O)n2Cc1ccccc1 C1CCCC(CC1)[*:1] CC(C)Cn1cnc2c1c(=O)n(CC(=O)N[*:1])c(=O)n2Cc1ccccc1
CC(C)Cn1cnc2c1c(=O)n(CC(=O)NC1CCCCCC1)c(=O)n2Cc1ccccc1 O=C(C[*:1])NC1CCCCCC1 CC(C)Cn1cnc2c1c(=O)n(c(=O)n2Cc1ccccc1)[*:1]
CC(C)Cn1cnc2c1c(=O)n(CC(=O)NC1CCCCCC1)c(=O)n2Cc1ccccc1 O=C(NC1CCCCCC1)[*:1] CC(C)Cn1cnc2c1c(=O)n(C[*:1])c(=O)n2Cc1ccccc1
CC(C)Cn1cnc2c1c(=O)n(CC(=O)NC1CCCCCC1)c(=O)n2Cc1ccccc1 CC(C)[*:1] O=C(Cn1c(=O)c2c(ncn2C[*:1])n(Cc2ccccc2)c1=O)NC1CCCCCC1
COc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)CCC3)cc1OC c1cc2CCCc2cc1[*:1] COc1ccc(cc1OC)CCNC(=O)C(=O)N[*:1]
O=C(CCc1ccsc1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(CCc1ccsc1)N1CCN(CC1)C[*:1]
O=C(CCc1ccsc1)N1CCN(Cc2ccncc2)CC1 c1cc(cs1)[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1ccncc1
O=C(CCc1ccsc1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] O=C(CCc1ccsc1)N1CCN(CC1)[*:1]
O=C(CCc1ccsc1)N1CCN(Cc2ccncc2)CC1 c1cc(cs1)C[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccncc1
O=C(CCc1ccsc1)N1CCN(Cc2ccncc2)CC1 c1cc(cs1)CC[*:1] O=C(N1CCN(CC1)Cc1ccncc1)[*:1]
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 Clc1ccc(cc1Cl)[*:1] COc1ccc(cc1)C(=O)N/N=C(\C)CC(=O)N[*:1]
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 COc1ccc(cc1)[*:1] C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)[*:1]
CC1=NC(C)=C(C(=O)N2CCCC2)[C@H]1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2C)CC1 Cc1cc(F)ccc1NC(=O)[*:1] CC1=NC(C)=C(C(=O)N2CCCC2)[C@H]1S(=O)(=O)N1CCC(CC1)[*:1]
CC1=NC(C)=C(C(=O)N2CCCC2)[C@H]1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2C)CC1 Cc1cc(F)ccc1[*:1] CC1=NC(C)=C(C(=O)N2CCCC2)[C@H]1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC1=NC(C)=C(C(=O)N2CCCC2)[C@H]1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2C)CC1 O=C(N1CCCC1)[*:1] CC1=NC(C)=C([C@H]1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(F)cc1C)[*:1]
CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)-c1nnc2CCCCCn21)[C@H](NS(=O)(=O)c1cccs1)[*:1]
CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 O=S(=O)(N[*:1])c1cccs1 CC(C)[C@@H](C(=O)Nc1ccc(cc1)-c1nnc2CCCCCn21)[*:1]
CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 C1CCc2nnc(n2CC1)[*:1] CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 c1csc(c1)[*:1] CC(C)[C@@H](NS(=O)(=O)[*:1])C(=O)Nc1ccc(cc1)-c1nnc2CCCCCn21
S=C1N=N[C@H](COc2ccccc2)N1/N=C/C=C/c1ccco1 C(=C[*:1])c1ccco1 S=C1N=N[C@H](COc2ccccc2)N1N=C[*:1]
S=C1N=N[C@H](COc2ccccc2)N1/N=C/C=C/c1ccco1 c1ccc(cc1)O[*:1] S=C1N=N[C@H](C[*:1])N1/N=C/C=C/c1ccco1
S=C1N=N[C@H](COc2ccccc2)N1/N=C/C=C/c1ccco1 c1ccc(cc1)[*:1] S=C1N=N[C@H](CO[*:1])N1/N=C/C=C/c1ccco1
S=C1N=N[C@H](COc2ccccc2)N1/N=C/C=C/c1ccco1 c1coc(c1)[*:1] S=C1N=N[C@H](COc2ccccc2)N1/N=C/C=C[*:1]
CCc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1 c1ccc(cc1)[*:1] CCc1c(nnn1[*:1])C(=O)Nc1ccccc1
CCc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1 c1ccc(cc1)[*:1] CCc1c(nnn1-c1ccccc1)C(=O)N[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc12 NC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])C12CC3CC(CC(C3)C1)C2
c1coc(-c2nc(CSc3nc4ccccc4[nH]3)n[nH]2)c1 c1coc(c1)[*:1] c1ccc2[nH]c(nc2c1)SCc1n[nH]c(n1)[*:1]
CCC(=O)Nc1ccc2[nH+]c(N3CCN(CC(=O)N4CCCC4)CC3)cc(C(=O)[O-])c2c1 O=C(N1CCCC1)[*:1] CCC(=O)Nc1ccc2[nH+]c(cc(C(=O)[O-])c2c1)N1CCN(CC1)C[*:1]
CCC(=O)Nc1ccc2[nH+]c(N3CCN(CC(=O)N4CCCC4)CC3)cc(C(=O)[O-])c2c1 O=C(C[*:1])N1CCCC1 CCC(=O)Nc1ccc2[nH+]c(cc(C(=O)[O-])c2c1)N1CCN(CC1)[*:1]
CCC(=O)Nc1ccc2[nH+]c(N3CCN(CC(=O)N4CCCC4)CC3)cc(C(=O)[O-])c2c1 CCC(=O)N[*:1] O=C([O-])c1cc([nH+]c2ccc(cc12)[*:1])N1CCN(CC1)CC(=O)N1CCCC1
CCC(=O)Nc1ccc2[nH+]c(N3CCN(CC(=O)N4CCCC4)CC3)cc(C(=O)[O-])c2c1 O=C([O-])[*:1] CCC(=O)Nc1ccc2[nH+]c(cc(c2c1)[*:1])N1CCN(CC1)CC(=O)N1CCCC1
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCc1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(cc(c1NCCc1ccc(Cl)cc1)[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCc1ccc(Cl)cc1 FC(F)(F)[*:1] O=[N+]([O-])c1cc(cc(c1NCCc1ccc(Cl)cc1)[N+](=O)[O-])[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1cc(cc(c1NCC[*:1])[N+](=O)[O-])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=[N+]([O-])c1cc(cc(c1NC[*:1])[N+](=O)[O-])C(F)(F)F
C=C(CC)C[C@@H]([NH2+]CC)c1ccc(Cl)cn1 C=C(CC)[*:1] CC[NH2+][C@H](C[*:1])c1ccc(Cl)cn1
C=C(CC)C[C@@H]([NH2+]CC)c1ccc(Cl)cn1 C=C(CC)C[*:1] CC[NH2+][C@@H](c1ccc(Cl)cn1)[*:1]
CCN[C@]1(C#N)CC[C@@H](n2ccnc2-c2cccs2)C1 c1csc(c1)[*:1] CCN[C@]1(C#N)CC[C@H](C1)n1ccnc1[*:1]
CCN[C@]1(C#N)CC[C@@H](n2ccnc2-c2cccs2)C1 CCN[*:1] N#C[C@@]1(CC[C@H](C1)n1ccnc1-c1cccs1)[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3Cl)CC2)C1 CC(C)C[*:1] O=C(NC[C@H]1CN(CCO1)[*:1])N1CCN(CC1)c1ccccc1Cl
CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3Cl)CC2)C1 Clc1ccccc1[*:1] CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(CC2)[*:1])C1
CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3Cl)CC2)C1 CC(C)[*:1] O=C(NC[C@H]1CN(CCO1)C[*:1])N1CCN(CC1)c1ccccc1Cl
CCN(Cc1cccc(C)c1)C(=O)NCc1ncnn1C Cn1ncnc1[*:1] CCN(Cc1cccc(C)c1)C(=O)NC[*:1]
CCN(Cc1cccc(C)c1)C(=O)NCc1ncnn1C Cn1ncnc1C[*:1] CCN(Cc1cccc(C)c1)C(=O)N[*:1]
CCN(Cc1cccc(C)c1)C(=O)NCc1ncnn1C Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)NCc1ncnn1C
N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] N#Cc1ccc(cc1)OCC(=O)NNC(=O)C=C[*:1]
N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2cccc(Cl)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(/C=C/c1cccc(Cl)c1)NNC(=O)CO[*:1]
CC[C@@H](C)CS(=O)(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CC[C@@H](C)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NS(=O)(=O)[*:1]
CC[C@@H](C)CS(=O)(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CC[C@@H](C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NS(=O)(=O)C[*:1]
CCS[C@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2ccccn2)C1 c1ccc(C[*:1])nc1 CCS[C@H]1CC[C@@H](C1)NC(=O)Nc1ccnn1[*:1]
CCS[C@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2ccccn2)C1 c1ccc(nc1)[*:1] CCS[C@H]1CC[C@@H](C1)NC(=O)Nc1ccnn1C[*:1]
CCS[C@H]1CC[C@H](NC(=O)Nc2ccnn2Cc2ccccn2)C1 CCS[*:1] O=C(Nc1ccnn1Cc1ccccn1)N[C@H]1CC[C@@H](C1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 CC(C)O[*:1] O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 CC(C)Oc1ccc(cc1)[*:1] O=C(c1ccco1)N1CCCc2cc(ccc21)NC(=O)[*:1]
CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 c1coc(c1)[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[*:1]
CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 CC(C)[*:1] O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccc(cc1)O[*:1]
CCOC(=O)c1ccc(N2C(=O)[C@@H]3CC4=c5ccccc5=[NH+][C@H]4[C@@H](c4ccccc4)N3C2=O)cc1 CCOC(=O)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccccc3)N2C(=O)N1c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(N2C(=O)[C@@H]3CC4=c5ccccc5=[NH+][C@H]4[C@@H](c4ccccc4)N3C2=O)cc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](N2C1=O)[*:1]
CCOC(=O)c1ccc(N2C(=O)[C@@H]3CC4=c5ccccc5=[NH+][C@H]4[C@@H](c4ccccc4)N3C2=O)cc1 CCOC(=O)c1ccc(cc1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccccc3)N2C(=O)N1[*:1]
COc1ccccc1C[C@H](C[C@@H]1CCCCO1)C(=O)[O-] O=C([O-])[*:1] COc1ccccc1C[C@H](C[C@@H]1CCCCO1)[*:1]
COc1ccccc1C[C@H](C[C@@H]1CCCCO1)C(=O)[O-] C1CC[C@H](OC1)[*:1] COc1ccccc1C[C@H](C[*:1])C(=O)[O-]
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(Cl)c(N2CCCCC2)c1 C1CCN(CC1)[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(Cl)c(c1)[*:1]
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(Cl)c(N2CCCCC2)c1 Cc1nn(C)c(C)c1C[*:1] C[C@H](NC(=O)c1ccc(Cl)c(c1)N1CCCCC1)[*:1]
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(Cl)c(N2CCCCC2)c1 Cc1nn(C)c(C)c1[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(Cl)c(c1)N1CCCCC1
Cc1cc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2cc1C CS(=O)(=O)c1ccc(cc1)[*:1] Cc1cc2nc(sc2cc1C)N(C[C@@H]1CCCO1)C(=O)[*:1]
Cc1cc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2cc1C CS(=O)(=O)[*:1] Cc1cc2nc(sc2cc1C)N(C[C@@H]1CCCO1)C(=O)c1ccc(cc1)[*:1]
C[C@@H](OC(=O)c1cc2cc(F)ccc2oc1=O)c1ccccc1N(C)C CN(C)[*:1] C[C@@H](OC(=O)c1cc2cc(F)ccc2oc1=O)c1ccccc1[*:1]
Cc1cscc1C(=O)c1ccc2c(c1)CCCC(=O)N2 Cc1cscc1[*:1] O=C1CCCc2cc(ccc2N1)C(=O)[*:1]
CC(C)CC[NH+](Cc1noc(-c2ccccc2)n1)C1CC1 CC(C)CC[*:1] c1ccc(cc1)-c1nc(C[NH+](C2CC2)[*:1])no1
CC(C)CC[NH+](Cc1noc(-c2ccccc2)n1)C1CC1 c1ccc(cc1)[*:1] CC(C)CC[NH+](Cc1noc(n1)[*:1])C1CC1
CC(C)CC[NH+](Cc1noc(-c2ccccc2)n1)C1CC1 CC(C)C[*:1] c1ccc(cc1)-c1nc(C[NH+](C[*:1])C2CC2)no1
CC(C)CC[NH+](Cc1noc(-c2ccccc2)n1)C1CC1 C1CC1[*:1] CC(C)CC[NH+](Cc1noc(n1)-c1ccccc1)[*:1]
CC(C)CC[NH+](Cc1noc(-c2ccccc2)n1)C1CC1 CC(C)[*:1] c1ccc(cc1)-c1nc(C[NH+](CC[*:1])C2CC2)no1
C[C@H]1CCc2c(sc3ncn(CC(=O)N4CCOCC4)c(=O)c23)C1 O=C(N1CCOCC1)[*:1] C[C@H]1CCc2c(C1)sc1ncn(C[*:1])c(=O)c21
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] O=C(COc1ccc(Cl)cc1[*:1])N1CCc2cc(ccc21)[N+](=O)[O-]
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2cc(ccc21)[*:1]
O=C(NC(c1ccccc1)c1ccccc1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 O=S(=O)(N1CCSCC1)[*:1] O=C(NC(c1ccccc1)c1ccccc1)c1cc(c[nH]1)[*:1]
O=C(NC(c1ccccc1)c1ccccc1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 c1ccc(cc1)[*:1] O=C(NC(c1ccccc1)[*:1])c1cc(c[nH]1)S(=O)(=O)N1CCSCC1
Cc1cc(C)c(OCC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cn1ccnc1[C@H](NC(=O)CO[*:1])c1ccc(Cl)cc1
Cc1cc(C)c(OCC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c(C)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)c(OCC(=O)N[C@H](c2nccn2C)[*:1])c(C)c1
Cc1cc(C)c(OCC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c(C)c1 Cn1ccnc1[*:1] Cc1cc(C)c(OCC(=O)N[C@H](c2ccc(Cl)cc2)[*:1])c(C)c1
Cc1noc(C)c1CCC(=O)Oc1ccc(C#N)cc1Cl Cc1noc(C)c1[*:1] N#Cc1ccc(OC(=O)CC[*:1])c(Cl)c1
[NH3+][C@H]1CCN(c2nc(-c3ccccn3)nc3c2CC[NH2+]C3)C1 c1ccc(nc1)[*:1] [NH3+][C@H]1CCN(C1)c1nc(nc2C[NH2+]CCc21)[*:1]
O=C(NC1CCCCCC1)[C@@H]1CCCN(C2=NC=NC3=NC=N[C@@H]32)C1 C1CCCC(CC1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C1=NC=NC2=NC=N[C@@H]21
CC[C@@H](C)n1ccc(C[S@@](=O)c2cccc(F)c2)n1 CC[C@@H](C)[*:1] O=[S@](Cc1ccn(n1)[*:1])c1cccc(F)c1
Cc1ccc([C@H](C)[C@@H](O)C(=O)Nc2cccc(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(NC(=O)[C@H](O)[C@@H](C)[*:1])c1C
CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 Fc1ccccc1[*:1] CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
CC(=O)C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] CC(=O)C[*:1] O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1[*:1]
CC(=O)C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=O)C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[*:1]
CC(=O)C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] CC(=O)[*:1] O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1C[*:1]
CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nc(C(C)C)nn2C)C12CCCC2 CC(C)[*:1] CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nc(nn2C)[*:1])C12CCCC2
CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nc(C(C)C)nn2C)C12CCCC2 CCO[*:1] CC(C)c1nc(NC(=O)N(C)[C@@H]2C[C@H](C23CCCC3)[*:1])n(C)n1
CCCN(CC(C)(C)C[NH3+])C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CCCN(CC(C)(C)C[NH3+])C(=O)N[*:1]
CCCN(CC(C)(C)C[NH3+])C(=O)NC1CCCCC1 CCC[*:1] CC(C)(C[NH3+])CN(C(=O)NC1CCCCC1)[*:1]
N#Cc1ccc(N2CCC(COc3ccccn3)CC2)c(F)c1 c1ccc(nc1)[*:1] N#Cc1ccc(c(F)c1)N1CCC(CC1)CO[*:1]
N#Cc1ccc(N2CCC(COc3ccccn3)CC2)c(F)c1 c1ccc(nc1)O[*:1] N#Cc1ccc(c(F)c1)N1CCC(CC1)C[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N(C)[C@@H](C)[*:1]
O=C(C1CC1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 C1CCC(CC1)[*:1] O=C(C1CC1)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
O=C(C1CC1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 C1CC1[*:1] O=C1N(CCC[C@@]12CCN(C2)C(=O)[*:1])CC1CCCCC1
O=C(C1CC1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 C1CCC(CC1)C[*:1] O=C(C1CC1)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
O=C(Cc1ccccc1F)N(Cc1ccccc1)C[C@H](O)c1cccs1 c1ccc(cc1)C[*:1] O=C(Cc1ccccc1F)N(C[C@H](O)c1cccs1)[*:1]
O=C(Cc1ccccc1F)N(Cc1ccccc1)C[C@H](O)c1cccs1 Fc1ccccc1C[*:1] O=C(N(Cc1ccccc1)C[C@H](O)c1cccs1)[*:1]
O=C(Cc1ccccc1F)N(Cc1ccccc1)C[C@H](O)c1cccs1 Fc1ccccc1[*:1] O=C(C[*:1])N(Cc1ccccc1)C[C@H](O)c1cccs1
O=C(Cc1ccccc1F)N(Cc1ccccc1)C[C@H](O)c1cccs1 c1csc(c1)[*:1] O=C(Cc1ccccc1F)N(Cc1ccccc1)C[C@H](O)[*:1]
O=C(Cc1ccccc1F)N(Cc1ccccc1)C[C@H](O)c1cccs1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1F)N(C[C@H](O)c1cccs1)C[*:1]
CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)[*:1]
CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccccc1[*:1]
CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1ccccc1[N+](=O)[O-] CCO[*:1] C[C@H]1CC(C)(C)N(C(=O)c2ccccc2[N+](=O)[O-])c2ccc(cc21)[*:1]
COc1ccc(Cn2ncc3cc(C(=O)N4CCCc5c(C)cc(C)cc54)cnc32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cc(C)c2CCCN(C(=O)c3cnc4c(cnn4C[*:1])c3)c2c1
COc1ccc(Cn2ncc3cc(C(=O)N4CCCc5c(C)cc(C)cc54)cnc32)c(OC)c1 COc1ccc(C[*:1])c(c1)OC Cc1cc(C)c2CCCN(C(=O)c3cnc4c(cnn4[*:1])c3)c2c1
O=C1COc2cc(NC(=O)N(Cc3ccco3)C3CC3)c(Cl)cc2N1 c1coc(c1)C[*:1] O=C1COc2cc(NC(=O)N(C3CC3)[*:1])c(Cl)cc2N1
O=C1COc2cc(NC(=O)N(Cc3ccco3)C3CC3)c(Cl)cc2N1 C1CC1[*:1] O=C1COc2cc(NC(=O)N(Cc3ccco3)[*:1])c(Cl)cc2N1
O=C1COc2cc(NC(=O)N(Cc3ccco3)C3CC3)c(Cl)cc2N1 c1coc(c1)[*:1] O=C1COc2cc(NC(=O)N(C[*:1])C3CC3)c(Cl)cc2N1
CN1CC[C@H](Nc2cc(C(F)(F)F)ccc2-n2cccn2)C1=O FC(F)(F)[*:1] CN1CC[C@H](Nc2cc(ccc2-n2cccn2)[*:1])C1=O
CN1CC[C@H](Nc2cc(C(F)(F)F)ccc2-n2cccn2)C1=O c1cnn(c1)[*:1] CN1CC[C@H](Nc2cc(ccc2[*:1])C(F)(F)F)C1=O
C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 Clc1ccc(Cl)c(c1)[*:1] C[C@@H](C(=O)N[*:1])[NH+]1CCN(CC1)S(=O)(=O)c1ccccc1C#N
C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 N#Cc1ccccc1[*:1] C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCN(CC1)S(=O)(=O)[*:1]
CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 CCOc1ccc(cc1)[*:1] CC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@@H]1[*:1]
CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 Cc1ccc(C)c(c1)[*:1] CCOc1ccc(cc1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nc(C)c(s1)C(C)=O
CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 CCO[*:1] CC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 Cc1ccc(C)c(c1)C(=O)[*:1] CCOc1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1c1nc(C)c(s1)C(C)=O)[*:1]
CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 CC(=O)c1sc(nc1C)[*:1] CCOc1ccc(cc1)[C@H]1C(C(=O)c2cc(C)ccc2C)=C([O-])C(=O)N1[*:1]
CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 CC(=O)[*:1] CCOc1ccc(cc1)[C@H]1C(C(=O)c2cc(C)ccc2C)=C([O-])C(=O)N1c1nc(C)c(s1)[*:1]
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)[*:1]
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Br)c1ccco1 Fc1ccc(c(Br)c1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1ccco1
C=CCN1C(=O)N=C(N)[C@@H]1c1ccc(OC(C)C)cc1 C=CC[*:1] CC(C)Oc1ccc(cc1)[C@H]1C(N)=NC(=O)N1[*:1]
C=CCN1C(=O)N=C(N)[C@@H]1c1ccc(OC(C)C)cc1 CC(C)[*:1] C=CCN1C(=O)N=C(N)[C@@H]1c1ccc(cc1)O[*:1]
C=CCN1C(=O)N=C(N)[C@@H]1c1ccc(OC(C)C)cc1 CC(C)O[*:1] C=CCN1C(=O)N=C(N)[C@@H]1c1ccc(cc1)[*:1]
CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]1[*:1]
CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 CC(C)(C)[*:1] O=C(CNC(=O)[*:1])N[C@H]1C[C@@H]1c1cccc(Cl)c1
CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 CC(C)(C)C(=O)N[*:1] O=C(C[*:1])N[C@H]1C[C@@H]1c1cccc(Cl)c1
COc1cccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1O c1coc(c1)[*:1] COc1cccc(C(=O)N(Cc2ccccc2)C[*:1])c1O
COc1cccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1O c1coc(c1)C[*:1] COc1cccc(C(=O)N(Cc2ccccc2)[*:1])c1O
COc1cccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1O c1ccc(cc1)C[*:1] COc1cccc(C(=O)N(Cc2ccco2)[*:1])c1O
COc1cccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1O c1ccc(cc1)[*:1] COc1cccc(C(=O)N(Cc2ccco2)C[*:1])c1O
Cc1ccc(Cl)c(O[C@H](C)C(=O)NCCCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(Cl)c(c1)O[C@H](C)C(=O)NCCC[*:1]
Cc1ccc(Cl)c(O[C@H](C)C(=O)NCCCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(Cl)c(c1)O[C@H](C)C(=O)NCC[*:1]
CCC[NH2+][C@H]1[C@@H](OC(C)(C)C)CCC1(C)C CC(C)(C)[*:1] CCC[NH2+][C@H]1[C@H](CCC1(C)C)O[*:1]
CCC[NH2+][C@H]1[C@@H](OC(C)(C)C)CCC1(C)C CC(C)(C)O[*:1] CCC[NH2+][C@H]1[C@@H](CCC1(C)C)[*:1]
CCC[NH2+][C@H]1[C@@H](OC(C)(C)C)CCC1(C)C CCC[*:1] CC(C)(C)O[C@H]1CCC(C)(C)[C@H]1[NH2+][*:1]
CS(=O)(=O)CC1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 CS(=O)(=O)C[*:1] Clc1ccc2c(c1)CC[C@@H]2[NH2+]CC1(CC1)[*:1]
CS(=O)(=O)CC1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 CS(=O)(=O)[*:1] Clc1ccc2c(c1)CC[C@@H]2[NH2+]CC1(CC1)C[*:1]
CCc1cc(C#N)c(NC(=O)CCC(=O)N(CC)CC)s1 CCN(CC)C(=O)[*:1] CCc1cc(C#N)c(NC(=O)CC[*:1])s1
Nc1c(Cl)cc(NC(=O)CCCNC(=O)c2ccsc2)cc1Cl c1cc(cs1)[*:1] Nc1c(Cl)cc(cc1Cl)NC(=O)CCCNC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc(Nc3ncccn3)n2)cc1C c1cnc(nc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC[C@@H]1c1cncc(n1)N[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc(Nc3ncccn3)n2)cc1C Cc1ccc(cc1C)[*:1] O=S(=O)(N1CCC[C@@H]1c1cncc(n1)Nc1ncccn1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc(Nc3ncccn3)n2)cc1C c1cnc(nc1)N[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC[C@@H]1c1cncc(n1)[*:1]
Cc1cc(S(=O)(=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(c(cc1[*:1])[N+](=O)[O-])S(=O)(=O)[O-]
Cc1cc(S(=O)(=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(c(cc1[N+](=O)[O-])[*:1])S(=O)(=O)[O-]
Cc1cc(S(=O)(=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] O=S(=O)([O-])[*:1] Cc1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])[*:1]
C[C@H](Cl)C(=O)N(C)C1(C#N)CCCCC1 C[C@H](Cl)[*:1] CN(C(=O)[*:1])C1(C#N)CCCCC1
CSc1ccc(N2C[C@H](c3nnc(NC(=O)COc4ccccc4C)o3)CC2=O)cc1 Cc1ccccc1O[*:1] CSc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)C[*:1])o1
CSc1ccc(N2C[C@H](c3nnc(NC(=O)COc4ccccc4C)o3)CC2=O)cc1 Cc1ccccc1OC[*:1] CSc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])o1
CSc1ccc(N2C[C@H](c3nnc(NC(=O)COc4ccccc4C)o3)CC2=O)cc1 Cc1ccccc1[*:1] CSc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)CO[*:1])o1
CSc1ccc(N2C[C@H](c3nnc(NC(=O)COc4ccccc4C)o3)CC2=O)cc1 CSc1ccc(cc1)[*:1] Cc1ccccc1OCC(=O)Nc1nnc(o1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(CSC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(CSC1=NC(=O)C2C(=N1)S[C@H]1CCCCC=21)N[*:1]
Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)[C@H]1C(C#N)=C(N)OC2C[C@@H](CC(=O)C=21)[*:1]
Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(N)OC2C[C@H](CC(=O)C=2[C@H]1[*:1])c1ccccc1Cl
CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(c1ccccc1)[*:1]
COc1cc(OC)c(C(=O)N(C)c2ccc(C)cc2C)cc1OC Cc1ccc(c(C)c1)[*:1] COc1cc(OC)c(cc1OC)C(=O)N(C)[*:1]
Cc1nc(CN(C)C(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)no1 Cc1nc(C[*:1])no1 CN(C(=O)c1cccc(c1)N1NC(=O)[C@H]2CC=CC[C@@H]2C1=O)[*:1]
Cc1nc(CN(C)C(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)no1 Cc1nc(no1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)N1NC(=O)[C@H]2CC=CC[C@@H]2C1=O
CCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(/C=N/NC(=O)C[*:1])cc1
CCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(/C=N/NC(=O)[*:1])cc1
CCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 CCO[*:1] O=C(Cc1ccccc1)N/N=C/c1ccc(cc1)[*:1]
O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](Cc2ccc(F)cc2)C1 C1Cc2[nH]nc(c2C1)[*:1] O=C(N1CCO[C@@H](Cc2ccc(F)cc2)C1)[*:1]
O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](Cc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(c1n[nH]c2CCCc12)N1CCO[C@H](C1)C[*:1]
O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](Cc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] O=C(c1n[nH]c2CCCc12)N1CCO[C@@H](C1)[*:1]
C/C=C/COc1ccccc1S(N)(=O)=O CC=C[*:1] NS(=O)(=O)c1ccccc1OC[*:1]
C/C=C/COc1ccccc1S(N)(=O)=O C/C=C/C[*:1] NS(=O)(=O)c1ccccc1O[*:1]
C/C=C/COc1ccccc1S(N)(=O)=O C/C=C/CO[*:1] NS(=O)(=O)c1ccccc1[*:1]
C/C=C/COc1ccccc1S(N)(=O)=O NS(=O)(=O)[*:1] C/C=C/COc1ccccc1[*:1]
CS(=O)(=O)NCCC[NH3+] [NH3+]CC[*:1] CS(=O)(=O)NC[*:1]
O=C(Cc1cn2c(nc1=O)SCC2)Nc1cccc(C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] O=C(Cc1cn2CCSc2nc1=O)Nc1cccc(c1)[*:1]
CC[C@@H](C)NC(=O)C[NH+]1CCN(C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CC[C@@H](C)NC(=O)C[NH+]1CCN(CC1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)C[NH+]1CCN(C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)C[NH+]1CCN(CC1)C(=O)NCC[*:1]
CC[C@@H](C)NC(=O)C[NH+]1CCN(C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC[C@@H](C)NC(=O)C[NH+]1CCN(CC1)C(=O)NC[*:1]
CC[C@@H](C)NC(=O)C[NH+]1CCN(C(=O)NCCc2ccccc2)CC1 CC[C@@H](C)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)NCCc1ccccc1)N[*:1]
O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccc(F)c(c1)C(F)(F)F)c1ccc(=O)n(n1)[*:1]
O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 FC(F)(F)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1ccc(=O)n(Cc2ccc(F)cc2)n1
O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(c1)C(F)(F)F)c1ccc(=O)n(C[*:1])n1
COc1cccc(C(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)-c1ccc(nn1)N1CCCC1)[*:1]
COc1cccc(C(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1 C1CCN(C1)[*:1] COc1cccc(c1)C(=O)Nc1ccc(cc1)-c1ccc(nn1)[*:1]
O=C(CNC(=O)c1ccco1)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(CNC(=O)c1ccco1)N[C@H]1C=C[C@@H](C1)[*:1]
O=C(CNC(=O)c1ccco1)N[C@H]1C=C[C@@H](C(=O)[O-])C1 c1coc(c1)[*:1] O=C(CNC(=O)[*:1])N[C@H]1C=C[C@H](C1)C(=O)[O-]
CCCCOCC(=O)Nc1cc(F)ccc1N CCCC[*:1] Nc1ccc(F)cc1NC(=O)CO[*:1]
CCCCOCC(=O)Nc1cc(F)ccc1N CCC[*:1] Nc1ccc(F)cc1NC(=O)COC[*:1]
CCCCOCC(=O)Nc1cc(F)ccc1N CCCCO[*:1] Nc1ccc(F)cc1NC(=O)C[*:1]
CC1(C)CC(=O)c2cc(C(=O)NO[C@@H]3CCCCO3)c(=O)[nH]c2C1 C1CC[C@H](OC1)[*:1] CC1(C)CC(=O)c2cc(C(=O)NO[*:1])c(=O)[nH]c2C1
CC[C@H](C)[NH2+][C@H](CS)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[NH2+][C@H](CS)[*:1]
O=C(Nc1nc2c(s1)CCCC2)C1(c2cc(-c3cccs3)on2)CC1 c1csc(c1)[*:1] O=C(Nc1nc2CCCCc2s1)C1(CC1)c1cc(on1)[*:1]
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCN(CC(=O)Nc1ccc2OCCOc2c1)C(=O)[*:1]
C/C(=C\C(=O)C(F)(F)F)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] C/C(=C\C(=O)C(F)(F)F)N1CCN(CC1)S(=O)(=O)C=C[*:1]
C/C(=C\C(=O)C(F)(F)F)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 C/C(=C\C(=O)C(F)(F)F)N1CCN(CC1)S(=O)(=O)[*:1]
C/C(=C\C(=O)C(F)(F)F)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 FC(F)(F)[*:1] C/C(=C\C(=O)[*:1])N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
C/C(=C\C(=O)C(F)(F)F)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 O=C(C(F)(F)F)[*:1] CC(=C[*:1])N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
CC(C)(C)[C@](O)(c1ccc(C(=O)N2CC[C@H](c3cccnc3)C2)cc1)c1ccc(C(F)(F)F)cc1 CC(C)(C)[*:1] O=C(c1ccc(cc1)[C@@](O)(c1ccc(cc1)C(F)(F)F)[*:1])N1CC[C@@H](C1)c1cccnc1
CC(C)(C)[C@](O)(c1ccc(C(=O)N2CC[C@H](c3cccnc3)C2)cc1)c1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] CC(C)(C)[C@](O)(c1ccc(cc1)C(=O)N1CC[C@@H](C1)c1cccnc1)[*:1]
CC(C)(C)[C@](O)(c1ccc(C(=O)N2CC[C@H](c3cccnc3)C2)cc1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)(C)[C@](O)(c1ccc(cc1)C(=O)N1CC[C@@H](C1)c1cccnc1)c1ccc(cc1)[*:1]
CC(C)(C)[C@](O)(c1ccc(C(=O)N2CC[C@H](c3cccnc3)C2)cc1)c1ccc(C(F)(F)F)cc1 c1cncc(c1)[*:1] CC(C)(C)[C@](O)(c1ccc(cc1)C(=O)N1CC[C@H](C1)[*:1])c1ccc(cc1)C(F)(F)F
C=CCN/C(=[NH+]/CCC(=O)N1CCCCC1)N1CCOCC1 C=CC[*:1] O=C(CC/[NH+]=C(/N[*:1])N1CCOCC1)N1CCCCC1
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccs3)cc21 c1csc(c1)C[*:1] CC(C)CN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)[*:1]
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccs3)cc21 O=C(Cc1cccs1)N[*:1] CC(C)CN1C(=O)C(C)(C)COc2ccc(cc21)[*:1]
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccs3)cc21 c1csc(c1)[*:1] CC(C)CN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)C[*:1]
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccs3)cc21 CC(C)[*:1] CC1(C)COc2ccc(cc2N(C[*:1])C1=O)NC(=O)Cc1cccs1
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccs3)cc21 CC(C)C[*:1] CC1(C)COc2ccc(cc2N(C1=O)[*:1])NC(=O)Cc1cccs1
CN(C)c1cccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 O=C(c1ccccc1)[*:1] CN(C)c1cccc(c1)C(=O)N1CCC(CC1)[*:1]
CN(C)c1cccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 CN(C)[*:1] O=C(c1ccccc1)C1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CN(C)c1cccc(c1)C(=O)N1CCC(CC1)C(=O)[*:1]
Cc1cc(C)c2c(=O)cc(C(=O)Nc3nnc(CC(C)C)s3)oc2c1 CC(C)[*:1] Cc1cc(C)c2c(=O)cc(oc2c1)C(=O)Nc1nnc(C[*:1])s1
Cc1cc(C)c2c(=O)cc(C(=O)Nc3nnc(CC(C)C)s3)oc2c1 CC(C)C[*:1] Cc1cc(C)c2c(=O)cc(oc2c1)C(=O)Nc1nnc(s1)[*:1]
CCc1cnc(NC(=O)N[C@@H](C)CCCO)s1 OCCC[*:1] CCc1cnc(NC(=O)N[C@@H](C)[*:1])s1
CCc1cnc(NC(=O)N[C@@H](C)CCCO)s1 OCC[*:1] CCc1cnc(NC(=O)N[C@@H](C)C[*:1])s1
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1sc2nc3n(c(=O)c2c1C)C(=O)[C@H](NC(=O)c1ccccc1)C=C3C#N O=C(N[*:1])c1ccccc1 Cc1sc2nc3C(C#N)=C[C@@H](C(=O)n3c(=O)c2c1C)[*:1]
Cc1sc2nc3n(c(=O)c2c1C)C(=O)[C@H](NC(=O)c1ccccc1)C=C3C#N c1ccc(cc1)[*:1] Cc1sc2nc3C(C#N)=C[C@@H](NC(=O)[*:1])C(=O)n3c(=O)c2c1C
C=CC[n+]1c(N)c(C(=O)Nc2nccs2)cc2c(=O)n3ccccc3nc21 c1csc(n1)[*:1] C=CC[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)C(=O)N[*:1]
C=CC[n+]1c(N)c(C(=O)Nc2nccs2)cc2c(=O)n3ccccc3nc21 C=CC[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1[*:1])C(=O)Nc1nccs1
C=CC[n+]1c(N)c(C(=O)Nc2nccs2)cc2c(=O)n3ccccc3nc21 O=C(Nc1nccs1)[*:1] C=CC[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)[*:1]
Cc1nc(C(=O)NCC[NH+](C)C2CC2)n[nH]1 C1CC1[*:1] Cc1nc(n[nH]1)C(=O)NCC[NH+](C)[*:1]
CC(C)Oc1ccccc1NC(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)[*:1] CC(C)Oc1ccccc1NC(=O)NCc1cccc(c1)C[*:1]
CC(C)Oc1ccccc1NC(=O)NCc1cccc(Cn2ccnc2)c1 CC(C)O[*:1] O=C(NCc1cccc(c1)Cn1ccnc1)Nc1ccccc1[*:1]
CC(C)Oc1ccccc1NC(=O)NCc1cccc(Cn2ccnc2)c1 CC(C)[*:1] O=C(NCc1cccc(c1)Cn1ccnc1)Nc1ccccc1O[*:1]
CC(C)Oc1ccccc1NC(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)C[*:1] CC(C)Oc1ccccc1NC(=O)NCc1cccc(c1)[*:1]
Cc1ccc(-c2nc3nc(C)cc(N4CCCC4)n3n2)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)-c1nc2nc(C)cc(n2n1)[*:1]
Cc1ccc(-c2nc3nc(C)cc(N4CCCC4)n3n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(N2CCCC2)n2nc(nc2n1)[*:1]
[NH3+]CC1CCC(C(=O)N(CC2CC2)C2CC2)CC1 C1CC1[*:1] [NH3+]CC1CCC(CC1)C(=O)N(C[*:1])C1CC1
[NH3+]CC1CCC(C(=O)N(CC2CC2)C2CC2)CC1 C1CC1[*:1] [NH3+]CC1CCC(CC1)C(=O)N(CC1CC1)[*:1]
[NH3+]CC1CCC(C(=O)N(CC2CC2)C2CC2)CC1 C1CC1C[*:1] [NH3+]CC1CCC(CC1)C(=O)N(C1CC1)[*:1]
O=C(NC[C@H]1CCCO1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O C1CO[C@H](C1)[*:1] O=C(NC[*:1])[C@@H]1CCN(C1=O)c1ccc(Cl)cc1Cl
O=C(NC[C@H]1CCCO1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O C1CO[C@H](C1)C[*:1] O=C(N[*:1])[C@@H]1CCN(C1=O)c1ccc(Cl)cc1Cl
COCc1cc(C(=O)NCCc2c[nH]c3cc(F)ccc23)no1 COC[*:1] O=C(NCCc1c[nH]c2cc(F)ccc12)c1cc(on1)[*:1]
CCOc1cc(C(=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 CCO[*:1] O=C([O-])c1ccc(OCc2ccc(Cl)c(Cl)c2)c(c1)[*:1]
CCOc1cc(C(=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 O=C([O-])[*:1] CCOc1cc(ccc1OCc1ccc(Cl)c(Cl)c1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cnn3c2SCC3)CC1 Clc1ccc(cc1)[*:1] O=C(c1cnn2CCSc12)N1CCCN(CC1)C(=O)[*:1]
CC(C)[C@@H](C(=O)N1CC[C@H]([N+]2=CCCC2)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)N1CC[C@@H](C1)[N+]1=CCCC1)[*:1]
CC(C)[C@@H](C(=O)N1CC[C@H]([N+]2=CCCC2)C1)c1ccccc1 CC(C)[*:1] O=C([C@@H](c1ccccc1)[*:1])N1CC[C@@H](C1)[N+]1=CCCC1
Cc1ccc(CNC(=O)c2ccc3nccnc3c2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc2nccnc2c1
O=C1CC(c2cnn(-c3ccccc3)c2)C1 O=C1CC(C1)[*:1] c1ccc(cc1)-n1cc(cn1)[*:1]
CC(C)(O)CSCCNC(=O)N1CC[C@@H]([N+]2=CCCC2)C1 CC(C)(O)CS[*:1] O=C(NCC[*:1])N1CC[C@H](C1)[N+]1=CCCC1
CC(C)(O)CSCCNC(=O)N1CC[C@@H]([N+]2=CCCC2)C1 CC(C)(O)CSC[*:1] O=C(NC[*:1])N1CC[C@H](C1)[N+]1=CCCC1
CC(C)(O)CSCCNC(=O)N1CC[C@@H]([N+]2=CCCC2)C1 CC(C)(O)[*:1] O=C(NCCSC[*:1])N1CC[C@H](C1)[N+]1=CCCC1
CC(C)(O)CSCCNC(=O)N1CC[C@@H]([N+]2=CCCC2)C1 CC(C)(O)C[*:1] O=C(NCCS[*:1])N1CC[C@H](C1)[N+]1=CCCC1
COc1ccc(-n2nnc(-c3nc(C)c(C(=O)N4CCN(Cc5ccccc5)CC4)s3)c2C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-n1nnc(-c2nc(C)c(s2)C(=O)N2CCN(CC2)C[*:1])c1C
COc1ccc(-n2nnc(-c3nc(C)c(C(=O)N4CCN(Cc5ccccc5)CC4)s3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)Cc1ccccc1)-c1nnn(c1C)[*:1]
COc1ccc(-n2nnc(-c3nc(C)c(C(=O)N4CCN(Cc5ccccc5)CC4)s3)c2C)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-n1nnc(-c2nc(C)c(s2)C(=O)N2CCN(CC2)[*:1])c1C
CNC(=O)Cc1ccccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 CNC(=O)C[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)Nc1ccccc1[*:1]
CNC(=O)Cc1ccccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 CNC(=O)[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)Nc1ccccc1C[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(C(C)C)cc2)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(C(C)C)cc2)cc1 CC(C)c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@@H](C)Sc1nnnn1[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(C(C)C)cc2)cc1 CC(=O)N[*:1] CC(C)c1ccc(cc1)-n1nnnc1S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(C(C)C)cc2)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)-n1nnnc1S[C@H](C)C(=O)N[*:1]
CCc1onc(C)c1NC(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 CCc1onc(C)c1[*:1] O=C(N[*:1])N1CCOC[C@H]1C[C@H](O)c1cccs1
CCc1onc(C)c1NC(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 O[C@@H](C[*:1])c1cccs1 CCc1onc(C)c1NC(=O)N1CCOC[C@@H]1[*:1]
CCc1onc(C)c1NC(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 O[C@H](c1cccs1)[*:1] CCc1onc(C)c1NC(=O)N1CCOC[C@H]1C[*:1]
CCc1onc(C)c1NC(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 c1csc(c1)[*:1] CCc1onc(C)c1NC(=O)N1CCOC[C@H]1C[C@H](O)[*:1]
CCCCn1c(N)c(N(CC)C(=O)c2c(C)oc3c(F)c(F)c(F)c(F)c23)c(=O)[nH]c1=O CCC[*:1] CCN(C(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c12)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCCCn1c(N)c(N(CC)C(=O)c2c(C)oc3c(F)c(F)c(F)c(F)c23)c(=O)[nH]c1=O CCCC[*:1] CCN(C(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c12)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCCC1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC[NH2+]CC1 O=C([O-])[*:1] CCCC1(CC[NH2+]CC1)C(=O)N1CCO[C@H](C1)C[*:1]
CCCC1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC[NH2+]CC1 CCC[*:1] O=C([O-])C[C@H]1CN(CCO1)C(=O)C1(CC[NH2+]CC1)[*:1]
CCCC1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC[NH2+]CC1 O=C([O-])C[*:1] CCCC1(CC[NH2+]CC1)C(=O)N1CCO[C@@H](C1)[*:1]
CCCNC(=O)[C@H](C)Sc1ccc(Br)cc1N CCC[*:1] C[C@H](Sc1ccc(Br)cc1N)C(=O)N[*:1]
Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCN1C(=O)CCC1=O)CCO2 O=C1CCC(=O)N1[*:1] Cc1cc(C)c2OCC[C@H]([NH2+]CC[*:1])c2c1
CC[C@@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)[*:1]
CC[C@@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 Cc1ccc(C)c(c1)[*:1] CC[C@@H](C)NC(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
CC[C@@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 CC[C@@H](C)[*:1] Cc1ccc(C)c(c1)N(CC(=O)N[*:1])S(=O)(=O)c1ccccc1
CC(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@@H]1CCC[C@@H]1C
COc1ccc(Cl)c(NC(=O)c2csc(C#CCN)c2)c1 NCC#C[*:1] COc1ccc(Cl)c(c1)NC(=O)c1csc(c1)[*:1]
C=CCNC(=O)NCC(=O)N(CC)Cc1ccccc1 C=CC[*:1] CCN(Cc1ccccc1)C(=O)CNC(=O)N[*:1]
C=CCNC(=O)NCC(=O)N(CC)Cc1ccccc1 c1ccc(cc1)[*:1] C=CCNC(=O)NCC(=O)N(CC)C[*:1]
CCNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cccn2C)s1 CCNC(=O)[*:1] Cn1cccc1C(=O)N1CCC[C@H]1c1ccc(s1)[*:1]
CCNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cccn2C)s1 Cn1cccc1[*:1] CCNC(=O)c1ccc(s1)[C@@H]1CCCN1C(=O)[*:1]
CC(C)(C)OC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)[*:1]
CC(C)(C)OC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 CC(C)(C)[*:1] O=C(CCc1ccccc1)N1CCCN(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)CC[*:1]
CC(C)(C)OC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C[*:1]
N[C@@H](C[NH3+])c1ccc(-c2nnn[n-]2)cc1 N[C@@H](C[NH3+])[*:1] c1cc(ccc1-c1nnn[n-]1)[*:1]
N[C@@H](C[NH3+])c1ccc(-c2nnn[n-]2)cc1 n1n[n-]c(n1)[*:1] N[C@@H](C[NH3+])c1ccc(cc1)[*:1]
CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c1 CC(=O)[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c1 Cc1n[nH]c(C)c1[*:1] CC(=O)c1cccc(c1)NC(=O)N1CCC[C@H]1[*:1]
CN1C(=O)[C@@H](NC(=O)C(=O)NC[C@@H](O)c2ccccc2)c2ccccc21 O[C@@H](c1ccccc1)[*:1] CN1C(=O)[C@@H](NC(=O)C(=O)NC[*:1])c2ccccc21
CN1C(=O)[C@@H](NC(=O)C(=O)NC[C@@H](O)c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CN1C(=O)[C@@H](NC(=O)C(=O)NC[C@@H](O)[*:1])c2ccccc21
COc1ccccc1CSCC(=O)N(C)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1CSCC(=O)N(C)[C@@H](C)[*:1]
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1Cl Cc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1cc(C(=O)[*:1])c(=O)c2ccc(C)nc21
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1Cl Cc1ccc(cc1)C(=O)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1cc(c(=O)c2ccc(C)nc21)[*:1]
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1ccc(cc1)C(=O)c1cn(CC(=O)N[*:1])c2nc(C)ccc2c1=O
CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)C1CC1 CC(C)[*:1] O=C(CN(C(=O)[*:1])C1CC1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl
CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)C1CC1 C1CC1[*:1] CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)[*:1]
CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)C1CC1 CC(C)C(=O)N(C1CC1)[*:1] O=C(C[*:1])N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl
CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)C1CC1 Clc1ccc(c(Cl)c1)[*:1] CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@H]1[*:1])C1CC1
Cn1cnnc1CCNC(=O)CCCO OCC[*:1] Cn1cnnc1CCNC(=O)C[*:1]
Cn1cnnc1CCNC(=O)CCCO OCCC[*:1] Cn1cnnc1CCNC(=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)C[C@H](NC(N)=O)c3cccs3)CC2)cc1 NC(=O)N[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)C[C@H](c1cccs1)[*:1]
CCOc1ccc(C2=CCN(C(=O)C[C@H](NC(N)=O)c3cccs3)CC2)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)C[C@H](NC(N)=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)C[C@H](NC(N)=O)c3cccs3)CC2)cc1 CCO[*:1] NC(=O)N[C@@H](CC(=O)N1CC=C(CC1)c1ccc(cc1)[*:1])c1cccs1
CCOc1ccc(C2=CCN(C(=O)C[C@H](NC(N)=O)c3cccs3)CC2)cc1 CCOc1ccc(cc1)[*:1] NC(=O)N[C@@H](CC(=O)N1CC=C(CC1)[*:1])c1cccs1
CCC[C@@H](NC(=O)Cc1c[nH]c2c(C)cccc12)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)Cc1c[nH]c2c(C)cccc12)[*:1]
CCC[C@@H](NC(=O)Cc1c[nH]c2c(C)cccc12)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)Cc1c[nH]c2c(C)cccc12)[*:1]
Cn1c(CN2CCN(C(=O)C3CCCCC3)CC2)nc2cc(NC(=O)c3cccs3)ccc21 C1CCC(CC1)[*:1] Cn1c(CN2CCN(CC2)C(=O)[*:1])nc2cc(ccc21)NC(=O)c1cccs1
Cn1c(CN2CCN(C(=O)C3CCCCC3)CC2)nc2cc(NC(=O)c3cccs3)ccc21 c1csc(c1)[*:1] Cn1c(CN2CCN(CC2)C(=O)C2CCCCC2)nc2cc(ccc21)NC(=O)[*:1]
Cn1c(CN2CCN(C(=O)C3CCCCC3)CC2)nc2cc(NC(=O)c3cccs3)ccc21 O=C(N[*:1])c1cccs1 Cn1c(CN2CCN(CC2)C(=O)C2CCCCC2)nc2cc(ccc21)[*:1]
CCOc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1 CCO[*:1] O=C(c1ccccc1F)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CCOc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] CCOc1ccc(cc1)CN1CCN(CC1)C(=O)[*:1]
CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC=CC[C@]4(C)[C@@H]3C(=O)C[C@]12C CC(=O)[*:1] C[C@]12CC=CC[C@@H]1CC[C@H]1[C@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@H]2[*:1]
CC(C)NC(=O)[C@@H](C[NH3+])Cc1c[nH+]cn1C1CC1 CC(C)[*:1] [NH3+]C[C@@H](Cc1c[nH+]cn1C1CC1)C(=O)N[*:1]
CC(C)NC(=O)[C@@H](C[NH3+])Cc1c[nH+]cn1C1CC1 C1CC1[*:1] CC(C)NC(=O)[C@@H](C[NH3+])Cc1c[nH+]cn1[*:1]
CC(C)NC(=O)[C@@H](C[NH3+])Cc1c[nH+]cn1C1CC1 CC(C)NC(=O)[*:1] [NH3+]C[C@@H](Cc1c[nH+]cn1C1CC1)[*:1]
CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1 CC(=O)N[*:1] Cc1nc(sc1S(=O)(=O)N1CCN(CC1)Cc1ccccc1)[*:1]
CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1 c1ccc(cc1)C[*:1] CC(=O)Nc1nc(C)c(s1)S(=O)(=O)N1CCN(CC1)[*:1]
CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1 c1ccc(cc1)[*:1] CC(=O)Nc1nc(C)c(s1)S(=O)(=O)N1CCN(CC1)C[*:1]
CCn1cnnc1CNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C CCn1cnnc1[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC[*:1]
CNC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCC2 Clc1ccc(Cl)c(c1)[*:1] CNC(=O)c1c(NC(=O)[*:1])sc2CCCCCc21
CNC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCC2 CNC(=O)[*:1] O=C(Nc1sc2CCCCCc2c1[*:1])c1cc(Cl)ccc1Cl
Cc1nn(C)cc1CN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)cc1CN(C)C(=O)c1nn(C)cc1[*:1]
Cc1nn(C)cc1CN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] Cc1nn(C)cc1[*:1] CN(C[*:1])C(=O)c1nn(C)cc1[N+](=O)[O-]
N#Cc1ccccc1CN(Cc1ccccn1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] N#Cc1ccccc1CN(Cc1ccccn1)C[*:1]
N#Cc1ccccc1CN(Cc1ccccn1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] N#Cc1ccccc1CN(Cc1ccccn1)[*:1]
N#Cc1ccccc1CN(Cc1ccccn1)C[C@@H]1CCCO1 c1ccc(C[*:1])nc1 N#Cc1ccccc1CN(C[C@@H]1CCCO1)[*:1]
N#Cc1ccccc1CN(Cc1ccccn1)C[C@@H]1CCCO1 c1ccc(nc1)[*:1] N#Cc1ccccc1CN(C[C@@H]1CCCO1)C[*:1]
CCOc1ccccc1OC(=O)c1ccc(OC)c(OC)c1 CCO[*:1] COc1ccc(cc1OC)C(=O)Oc1ccccc1[*:1]
CC(=O)Nc1cccc(CS(=O)(=O)c2ncc(C)cn2)c1 CC(=O)N[*:1] Cc1cnc(nc1)S(=O)(=O)Cc1cccc(c1)[*:1]
CC(=O)Nc1cccc(CS(=O)(=O)c2ncc(C)cn2)c1 Cc1cnc(nc1)[*:1] CC(=O)Nc1cccc(c1)CS(=O)(=O)[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NNC(=O)Cn1ccc(n1)C(F)(F)F)[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 FC(F)(F)c1ccn(n1)[*:1] Cc1nc(sc1C(=O)NNC(=O)C[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 FC(F)(F)[*:1] Cc1nc(sc1C(=O)NNC(=O)Cn1ccc(n1)[*:1])-c1ccccc1
Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]Cc1ccnc(OCC(F)F)c1 FC(F)[*:1] Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]Cc1ccnc(c1)OC[*:1]
Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]Cc1ccnc(OCC(F)F)c1 FC(F)C[*:1] Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]Cc1ccnc(c1)O[*:1]
Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]Cc1ccnc(OCC(F)F)c1 FC(F)CO[*:1] Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]Cc1ccnc(c1)[*:1]
COC(=O)CC(=O)/C(C(=N)NC(=O)c1ccccc1)=C(\C)[O-] COC(=O)CC(=O)[*:1] CC([O-])=C(C(=N)NC(=O)c1ccccc1)[*:1]
COC(=O)CC(=O)/C(C(=N)NC(=O)c1ccccc1)=C(\C)[O-] COC(=O)C[*:1] C/C([O-])=C(/C(=N)NC(=O)c1ccccc1)C(=O)[*:1]
COC(=O)CC(=O)/C(C(=N)NC(=O)c1ccccc1)=C(\C)[O-] c1ccc(cc1)[*:1] COC(=O)CC(=O)/C(C(=N)NC(=O)[*:1])=C(\C)[O-]
COC(=O)CC(=O)/C(C(=N)NC(=O)c1ccccc1)=C(\C)[O-] COC(=O)[*:1] C/C([O-])=C(/C(=N)NC(=O)c1ccccc1)C(=O)C[*:1]
COc1ccc(OCc2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)o2)cc1 COc1ccc(cc1)[*:1] Cc1c(NC(=O)c2ccc(CO[*:1])o2)c(nn1C)C(=O)N(C)C
COc1ccc(OCc2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)o2)cc1 COc1ccc(cc1)O[*:1] Cc1c(NC(=O)c2ccc(C[*:1])o2)c(nn1C)C(=O)N(C)C
COc1ccc(OCc2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)o2)cc1 COc1ccc(cc1)OC[*:1] Cc1c(NC(=O)c2ccc(o2)[*:1])c(nn1C)C(=O)N(C)C
COc1ccc(OCc2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)o2)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)OCc1ccc(o1)C(=O)Nc1c(nn(C)c1C)[*:1]
Cn1c(C2CC2)nc2cc(NC(=O)C(=O)N3CCC[C@@](C)(CO)C3)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)N1CCC[C@@](C)(CO)C1)[*:1]
Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N[C@@H](C)Cc1ccco1 Fc1cccc(c1)[*:1] Cc1sc(cc1S(=O)(=O)N[C@@H](C)Cc1ccco1)-c1nc(no1)[*:1]
Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N[C@@H](C)Cc1ccco1 c1coc(c1)[*:1] Cc1sc(cc1S(=O)(=O)N[C@@H](C)C[*:1])-c1nc(no1)-c1cccc(F)c1
Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N[C@@H](C)Cc1ccco1 c1coc(c1)C[*:1] Cc1sc(cc1S(=O)(=O)N[C@@H](C)[*:1])-c1nc(no1)-c1cccc(F)c1
CN(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 c1ccc(cc1)C[*:1] CN(C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)[*:1]
CN(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 Clc1cccc(c1Cl)[*:1] CN(Cc1ccccc1)C(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
CN(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)[*:1]
CN(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1
Cc1ccc(-n2nnc(C(=O)NC3CCCC3)c2N)cc1F C1CCC(C1)[*:1] Cc1ccc(cc1F)-n1nnc(C(=O)N[*:1])c1N
CCC[NH2+]Cc1cn(C[C@H]2CCCN(S(C)(=O)=O)C2)nn1 CCC[*:1] CS(=O)(=O)N1CCC[C@@H](C1)Cn1cc(C[NH2+][*:1])nn1
CCN(C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O)[C@H](C)c1ccc(F)cc1 FC(F)(F)c1cccc(c1)[*:1] CCN(C(=O)c1nn(c(C)cc1=O)[*:1])[C@H](C)c1ccc(F)cc1
CCN(C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O)[C@H](C)c1ccc(F)cc1 FC(F)(F)[*:1] CCN(C(=O)c1nn(-c2cccc(c2)[*:1])c(C)cc1=O)[C@H](C)c1ccc(F)cc1
CCN(C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O)[C@H](C)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] CCN(C(=O)c1nn(-c2cccc(c2)C(F)(F)F)c(C)cc1=O)[*:1]
CCN(C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)c1nn(-c2cccc(c2)C(F)(F)F)c(C)cc1=O)[C@H](C)[*:1]
N#CCCN(C(=O)CSc1nnc(C(F)(F)F)n1N)c1ccccc1 N#CC[*:1] Nn1c(nnc1C(F)(F)F)SCC(=O)N(C[*:1])c1ccccc1
N#CCCN(C(=O)CSc1nnc(C(F)(F)F)n1N)c1ccccc1 c1ccc(cc1)[*:1] N#CCCN(C(=O)CSc1nnc(n1N)C(F)(F)F)[*:1]
N#CCCN(C(=O)CSc1nnc(C(F)(F)F)n1N)c1ccccc1 N#CCC[*:1] Nn1c(nnc1C(F)(F)F)SCC(=O)N(c1ccccc1)[*:1]
N#CCCN(C(=O)CSc1nnc(C(F)(F)F)n1N)c1ccccc1 FC(F)(F)[*:1] N#CCCN(C(=O)CSc1nnc(n1N)[*:1])c1ccccc1
CC(C)(C)c1ccc(NC(=O)Nc2ccccc2N2CCNC(=O)C2)cc1 CC(C)(C)[*:1] O=C1CN(CCN1)c1ccccc1NC(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(NC(=O)Nc2ccccc2N2CCNC(=O)C2)cc1 O=C1CN(CCN1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)Nc1ccccc1[*:1]
CCOC(=O)N[C@@H](C(=O)N1CC[C@H](O)C1)C(C)C CC(C)[*:1] CCOC(=O)N[C@@H](C(=O)N1CC[C@H](O)C1)[*:1]
CCOC(=O)N[C@@H](C(=O)N1CC[C@H](O)C1)C(C)C CCOC(=O)N[*:1] CC(C)[C@H](C(=O)N1CC[C@H](O)C1)[*:1]
COC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 COC[*:1] C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[*:1]
COC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 COC[C@@H](C)[*:1] O=S(=O)(N[*:1])c1ccc(Cl)cc1
CCOC[C@@H]1CCN(C(=O)c2csc3c2CCCC3)C1 CCOC[*:1] O=C(c1csc2CCCCc12)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)c2csc3c2CCCC3)C1 CCO[*:1] O=C(c1csc2CCCCc12)N1CC[C@H](C1)C[*:1]
C[C@@H](O)[C@@H](C)S(=O)(=O)Cc1cccc(F)c1 C[C@@H](O)[*:1] C[C@@H](S(=O)(=O)Cc1cccc(F)c1)[*:1]
O=C([O-])[C@H]1C[C@H](O)CN1C(=O)CCOc1ccc(F)cc1 O=C([O-])[*:1] O=C(CCOc1ccc(F)cc1)N1C[C@@H](O)C[C@@H]1[*:1]
O=C([O-])[C@H]1C[C@H](O)CN1C(=O)CCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C([O-])[C@H]1C[C@H](O)CN1C(=O)CCO[*:1]
CCCC(CCC)[NH2+]C1CCC(O)CC1 CCC[*:1] CCCC([NH2+]C1CCC(O)CC1)[*:1]
COC(=O)[C@H](C)Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 c1coc(c1)[*:1] COC(=O)[C@H](C)Sc1nnc(N2CCC[C@@H](C)C2)n1C[*:1]
COC(=O)[C@H](C)Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 COC(=O)[*:1] C[C@H](Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1)[*:1]
COC(=O)[C@H](C)Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 C[C@@H]1CCCN(C1)[*:1] COC(=O)[C@H](C)Sc1nnc(n1Cc1ccco1)[*:1]
COC(=O)[C@H](C)Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 COC(=O)[C@H](C)S[*:1] C[C@@H]1CCCN(C1)c1nnc(n1Cc1ccco1)[*:1]
COC(=O)[C@H](C)Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 COC(=O)[C@H](C)[*:1] C[C@@H]1CCCN(C1)c1nnc(S[*:1])n1Cc1ccco1
COC(=O)[C@H](C)Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 c1coc(c1)C[*:1] COC(=O)[C@H](C)Sc1nnc(N2CCC[C@@H](C)C2)n1[*:1]
COc1ccc(CCc2nc(-c3ccc4oc(C)nc4c3)no2)cc1 COc1ccc(cc1)[*:1] Cc1nc2cc(ccc2o1)-c1noc(CC[*:1])n1
COc1cc(-c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCCCC1 O=C(C[*:1])N1CCCCC1 COc1cc(ccc1O[*:1])-c1nc2ccccc2[nH]1
COc1cc(-c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] COc1cc(ccc1OC[*:1])-c1nc2ccccc2[nH]1
COc1cc(-c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCCCC1 c1ccc2[nH]c(nc2c1)[*:1] COc1cc(ccc1OCC(=O)N1CCCCC1)[*:1]
Cc1ccc(SCC(=O)[C@H](C#N)c2nc([O-])c3ccccc3n2)cc1 Cc1ccc(cc1)S[*:1] N#C[C@@H](C(=O)C[*:1])c1nc([O-])c2ccccc2n1
Cc1ccc(SCC(=O)[C@H](C#N)c2nc([O-])c3ccccc3n2)cc1 Cc1ccc(cc1)[*:1] N#C[C@@H](C(=O)CS[*:1])c1nc([O-])c2ccccc2n1
CN(CCCS(C)(=O)=O)C(=O)CNC(=O)c1ccc(F)c(F)c1 CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)CNC(=O)c1ccc(F)c(F)c1
CN(CCCS(C)(=O)=O)C(=O)CNC(=O)c1ccc(F)c(F)c1 CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)CNC(=O)c1ccc(F)c(F)c1
CN(CCCS(C)(=O)=O)C(=O)CNC(=O)c1ccc(F)c(F)c1 CS(=O)(=O)CCC[*:1] CN(C(=O)CNC(=O)c1ccc(F)c(F)c1)[*:1]
CN(CCCS(C)(=O)=O)C(=O)CNC(=O)c1ccc(F)c(F)c1 CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)CNC(=O)c1ccc(F)c(F)c1
CCC[NH+]1CCc2c(sc(NC(=O)c3ccc(C)cc3C)c2C(=O)OC)C1 Cc1ccc(c(C)c1)[*:1] CCC[NH+]1CCc2c(C1)sc(NC(=O)[*:1])c2C(=O)OC
CCC[NH+]1CCc2c(sc(NC(=O)c3ccc(C)cc3C)c2C(=O)OC)C1 COC(=O)[*:1] CCC[NH+]1CCc2c(C1)sc(NC(=O)c1ccc(C)cc1C)c2[*:1]
COCCCNC(=O)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 COCCCNC(=O)[*:1] S=c1[nH]c2cc(ccc2c2nc3ccccc3n12)[*:1]
COCCCNC(=O)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 COCC[*:1] O=C(NC[*:1])c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21
COCCCNC(=O)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 COCCC[*:1] O=C(N[*:1])c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21
COCCCNC(=O)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 COC[*:1] O=C(NCC[*:1])c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C)C(=O)[O-] c1ccc(cc1)[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)N[C@H](C)C(=O)[O-]
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H](Oc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](C)[*:1]
CC1(C)[C@H]2CC[C@]1(C)c1nc3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3nc12 O=[N+]([O-])[*:1] CC1(C)[C@H]2CC[C@]1(C)c1nc3ccc(cc3nc12)NC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CCC[C@H]1C(=O)NCCN1Cc1cnc2cnccn12 CCC[*:1] O=C1NCCN(Cc2cnc3cnccn23)[C@H]1[*:1]
COc1cccc(NC(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)c1OC CC(C)[*:1] COc1cccc(NC(=O)N2CCc3nc(NC(=O)N[*:1])sc3C2)c1OC
COc1cccc(NC(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)c1OC CC(C)NC(=O)N[*:1] COc1cccc(NC(=O)N2CCc3nc(sc3C2)[*:1])c1OC
Cc1ccc(C)c(/C([O-])=N/S(=O)(=O)C2CCCC2)c1 C1CCC(C1)[*:1] Cc1ccc(C)c(c1)/C([O-])=N/S(=O)(=O)[*:1]
CCCn1c(CCC[C@@H](Cl)CC)nc2ccccc21 CCC[*:1] CC[C@H](Cl)CCCc1nc2ccccc2n1[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1c1nc2c(cc1C(N)=O)CCC2 NC(=O)[*:1] C[C@H]1[C@@H](CCN1c1nc2CCCc2cc1[*:1])C(=O)[O-]
C[C@H]1[C@H](C(=O)[O-])CCN1c1nc2c(cc1C(N)=O)CCC2 O=C([O-])[*:1] C[C@H]1[C@H](CCN1c1nc2CCCc2cc1C(N)=O)[*:1]
COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)N1CCCCC[C@H]1[*:1]
COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1)[C@@H]1CCCCCN1C(=O)c1ccc(OC)c(c1)[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)s1 CC(C)c1ccc(cc1)[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)s1 O=C(c1ccccc1)[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C([C@H]1c1ccc(cc1)C(C)C)[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)s1 CCc1nnc(s1)[*:1] CC(C)c1ccc(cc1)[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)s1 c1ccc(cc1)[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(cc1)C(C)C
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)s1 CC(C)[*:1] CCc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@H]1c1ccc(cc1)[*:1]
CC(C)c1ocnc1CS(=O)(=O)Cc1noc(-c2ccsc2)n1 c1cc(cs1)[*:1] CC(C)c1ocnc1CS(=O)(=O)Cc1noc(n1)[*:1]
CC(C)c1ocnc1CS(=O)(=O)Cc1noc(-c2ccsc2)n1 CC(C)[*:1] O=S(=O)(Cc1noc(n1)-c1ccsc1)Cc1ncoc1[*:1]
CCN(Cc1nc(-c2ccc(C)cc2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CCN(Cc1nc(no1)-c1ccc(C)cc1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCN(Cc1nc(-c2ccc(C)cc2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O Cc1ccc(cc1)[*:1] CCN(Cc1nc(no1)[*:1])c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
CCN(Cc1nc(-c2ccc(C)cc2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CCN(Cc1nc(no1)-c1ccc(C)cc1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
COc1ccc(CN(C(=O)CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)CN(C(=O)C[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(CN(C(=O)CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)CN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Cn1cc(ccc1=O)C(F)(F)F)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 FC(F)(F)[*:1] O=C(Cn1cc(ccc1=O)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Cc1nc2ccccc2c(C)c1CC(=O)NC(C1CC1)C1CC1 C1CC1[*:1] Cc1nc2ccccc2c(C)c1CC(=O)NC(C1CC1)[*:1]
Cc1nc2ccccc2c(C)c1CC(=O)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] Cc1nc2ccccc2c(C)c1CC(=O)N[*:1]
O=C1CC[C@H](NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CN1 Clc1ccc(cc1)[*:1] O=C1CC[C@@H](CN1)NC(=O)c1ccccc1C(=O)[*:1]
O=C1CCCN1CCC(=O)N1CCN(c2ncccc2F)CC1 O=C1CCCN1C[*:1] O=C(C[*:1])N1CCN(CC1)c1ncccc1F
O=C1CCCN1CCC(=O)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=C1CCCN1CCC(=O)N1CCN(CC1)[*:1]
O=C1CCCN1CCC(=O)N1CCN(c2ncccc2F)CC1 O=C1CCCN1[*:1] O=C(CC[*:1])N1CCN(CC1)c1ncccc1F
CCC[NH+](Cc1cncn1CC)C1CCC([NH3+])CC1 CCC[*:1] CCn1cncc1C[NH+](C1CCC([NH3+])CC1)[*:1]
Cc1ccc(Oc2ncnc(Nc3ncccc3C)c2[N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)Oc1ncnc(Nc2ncccc2C)c1[*:1]
Cc1ccc(Oc2ncnc(Nc3ncccc3C)c2[N+](=O)[O-])cc1C Cc1ccc(cc1C)[*:1] Cc1cccnc1Nc1ncnc(O[*:1])c1[N+](=O)[O-]
Cc1ccc(Oc2ncnc(Nc3ncccc3C)c2[N+](=O)[O-])cc1C Cc1cccnc1N[*:1] Cc1ccc(cc1C)Oc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1ccc(Oc2ncnc(Nc3ncccc3C)c2[N+](=O)[O-])cc1C Cc1cccnc1[*:1] Cc1ccc(cc1C)Oc1ncnc(N[*:1])c1[N+](=O)[O-]
CN(Cc1cnc(C2CC2)s1)[C@H]1CCC[C@@H]1S(C)(=O)=O C1CC1[*:1] CN(Cc1cnc(s1)[*:1])[C@H]1CCC[C@@H]1S(C)(=O)=O
CN(Cc1cnc(C2CC2)s1)[C@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(Cc1cnc(s1)C1CC1)[C@H]1CCC[C@H]1[*:1]
COc1cc(OC)nc(Oc2ccccc2C(=O)NCCCl)n1 O=C(NCCCl)[*:1] COc1cc(nc(n1)Oc1ccccc1[*:1])OC
COc1cc(OC)nc(Oc2ccccc2C(=O)NCCCl)n1 ClCC[*:1] COc1cc(nc(n1)Oc1ccccc1C(=O)N[*:1])OC
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(Cl)c2Cl)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)COC(=O)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@@H](C=1[*:1])c1cccc(Cl)c1Cl
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(Cl)c2Cl)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@@H](C=1C(=O)OC[*:1])c1cccc(Cl)c1Cl
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(Cl)c2Cl)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)C[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@@H](C=1C(=O)O[*:1])c1cccc(Cl)c1Cl
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(Cl)c2Cl)c2c(n(C)c(=O)n(C)c2=O)N1 Clc1cccc(c1Cl)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@H](C=1C(=O)OCC(C)C)[*:1]
CCc1ccc(/C=c2\sc3nc(-c4ccc(OC)cc4)nn3c2=O)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc2sc(=C[*:1])c(=O)n2n1
CCc1ccc(/C=c2\sc3nc(-c4ccc(OC)cc4)nn3c2=O)cc1 COc1ccc(cc1)[*:1] CCc1ccc(/C=c2\sc3nc(nn3c2=O)[*:1])cc1
Cc1cc(CNC(=O)CCc2ccc3c(c2)OCO3)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(CCc1ccc2OCOc2c1)NC[*:1]
COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N23)c(OC)c1 CC(C)[*:1] COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C(=O)N23)[*:1])c(c1)OC
COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N23)c(OC)c1 COc1ccc(c(c1)OC)[*:1] CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)N[*:1])N2C1=O
CC(=O)C[C@@H]1CCCN1Cc1ncc(Cl)n1C CC(=O)[*:1] Cn1c(Cl)cnc1CN1CCC[C@H]1C[*:1]
CC(=O)C[C@@H]1CCCN1Cc1ncc(Cl)n1C CC(=O)C[*:1] Cn1c(Cl)cnc1CN1CCC[C@H]1[*:1]
CCOC(=O)CNC(=O)N1CCN(Cc2nc3cc(C)ccc3o2)CC1 CCOC(=O)C[*:1] Cc1ccc2oc(CN3CCN(CC3)C(=O)N[*:1])nc2c1
CCOC(=O)CNC(=O)N1CCN(Cc2nc3cc(C)ccc3o2)CC1 CCOC(=O)[*:1] Cc1ccc2oc(CN3CCN(CC3)C(=O)NC[*:1])nc2c1
Cc1cc(N)ccc1SCC(=O)N(C)CC(=O)NC1CC1 C1CC1[*:1] Cc1cc(N)ccc1SCC(=O)N(C)CC(=O)N[*:1]
Cc1cc(N)ccc1SCC(=O)N(C)CC(=O)NC1CC1 O=C(C[*:1])NC1CC1 Cc1cc(N)ccc1SCC(=O)N(C)[*:1]
Cc1cc(N)ccc1SCC(=O)N(C)CC(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1cc(N)ccc1SCC(=O)N(C)C[*:1]
CC[C@](C)(NC(=O)CN1CCOc2ccc(Cl)cc21)c1nccs1 c1csc(n1)[*:1] CC[C@](C)(NC(=O)CN1CCOc2ccc(Cl)cc21)[*:1]
CCCCCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 CCCCC[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-c1ccncc1
CCCCCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 CCCC[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccncc1
CCCCCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 CCC[*:1] C[C@H](NC(=O)CC[*:1])c1ccc(cc1)-c1ccncc1
CCCCCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] CCCCCC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCOc1ccc(-n2ncc(C(=O)[O-])c2C)nn1 CCO[*:1] Cc1c(cnn1-c1ccc(nn1)[*:1])C(=O)[O-]
CCOc1ccc(-n2ncc(C(=O)[O-])c2C)nn1 O=C([O-])[*:1] CCOc1ccc(nn1)-n1ncc(c1C)[*:1]
COC(=O)Cn1ccc(-c2cccc(-c3cccc(C#N)c3)c2)n1 COC(=O)C[*:1] N#Cc1cccc(c1)-c1cccc(c1)-c1ccn(n1)[*:1]
COC(=O)Cn1ccc(-c2cccc(-c3cccc(C#N)c3)c2)n1 COC(=O)[*:1] N#Cc1cccc(c1)-c1cccc(c1)-c1ccn(C[*:1])n1
COC(=O)Cn1ccc(-c2cccc(-c3cccc(C#N)c3)c2)n1 N#Cc1cccc(c1)[*:1] COC(=O)Cn1ccc(n1)-c1cccc(c1)[*:1]
Cc1ccc(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](N[*:1])C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]
Cc1ccc(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(N[C@H](C)C(=O)Nc2cc(ccc2Cl)[*:1])c(C)c1
O=C(CC1c2ccccc2CCc2ccccc21)NCc1ccncn1 c1cc(C[*:1])ncn1 O=C(CC1c2ccccc2CCc2ccccc21)N[*:1]
O=C(CC1c2ccccc2CCc2ccccc21)NCc1ccncn1 c1cc(ncn1)[*:1] O=C(CC1c2ccccc2CCc2ccccc21)NC[*:1]
CCC(C)(C)[NH2+]CC(=O)Nc1ccc(C)c(Cl)c1 CCC(C)(C)[*:1] Cc1ccc(cc1Cl)NC(=O)C[NH2+][*:1]
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NCc3nnc4ccccn34)cc12 Clc1ccc(c(Cl)c1)[*:1] Cc1nn(C[*:1])c2sc(cc12)C(=O)NCc1nnc2ccccn12
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NCc3nnc4ccccn34)cc12 Clc1ccc(C[*:1])c(Cl)c1 Cc1nn(c2sc(cc12)C(=O)NCc1nnc2ccccn12)[*:1]
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NCc3nnc4ccccn34)cc12 c1ccn2c(C[*:1])nnc2c1 Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(cc12)C(=O)N[*:1]
Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NCc3nnc4ccccn34)cc12 c1ccn2c(nnc2c1)[*:1] Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(cc12)C(=O)NC[*:1]
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCC1)[C@@H]1CCC[C@@H](C1)[*:1]
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 C1CCN(CC1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])[C@@H]1CCC[C@H](C1)C(F)(F)F
O=C(Cn1ccnc1)N1CCC(c2ccccc2)=N1 c1cn(cn1)C[*:1] O=C(N1CCC(=N1)c1ccccc1)[*:1]
O=C(Cn1ccnc1)N1CCC(c2ccccc2)=N1 c1cn(cn1)[*:1] O=C(C[*:1])N1CCC(=N1)c1ccccc1
O=C(Cn1ccnc1)N1CCC(c2ccccc2)=N1 c1ccc(cc1)[*:1] O=C(Cn1ccnc1)N1CCC(=N1)[*:1]
Cc1noc(COC(=O)c2ccc(-n3ccnn3)cc2)n1 Cc1noc(C[*:1])n1 O=C(O[*:1])c1ccc(cc1)-n1ccnn1
Cc1noc(COC(=O)c2ccc(-n3ccnn3)cc2)n1 Cc1noc(n1)[*:1] O=C(OC[*:1])c1ccc(cc1)-n1ccnn1
Cc1noc(COC(=O)c2ccc(-n3ccnn3)cc2)n1 c1cn(nn1)[*:1] Cc1noc(COC(=O)c2ccc(cc2)[*:1])n1
Cc1cccc(N2CCN(C(=O)c3[nH]c(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)C[C@@H]2C)c1 Cc1cccc(c1)[*:1] Cc1[nH]c(C(=O)N2CCN([C@@H](C)C2)[*:1])c(C)c1S(=O)(=O)N1CCC(C)CC1
Cc1cccc(N2CCN(C(=O)c3[nH]c(C)c(S(=O)(=O)N4CCC(C)CC4)c3C)C[C@@H]2C)c1 CC1CCN(CC1)S(=O)(=O)[*:1] Cc1cccc(c1)N1CCN(C[C@@H]1C)C(=O)c1[nH]c(C)c(c1C)[*:1]
CSCc1ccnc(N2CCO[C@@]3(CCc4ccccc43)C2)c1 CSC[*:1] c1ccc2c(c1)CC[C@]21CN(CCO1)c1cc(ccn1)[*:1]
CCc1ccc(-c2cc(NC(C)=O)c(=O)n([C@@H](C)C(=O)Nc3ccc(C)cc3C)n2)cc1 Cc1ccc(c(C)c1)[*:1] CCc1ccc(cc1)-c1cc(NC(C)=O)c(=O)n(n1)[C@@H](C)C(=O)N[*:1]
CCc1ccc(-c2cc(NC(C)=O)c(=O)n([C@@H](C)C(=O)Nc3ccc(C)cc3C)n2)cc1 CCc1ccc(cc1)[*:1] CC(=O)Nc1cc(nn(c1=O)[C@@H](C)C(=O)Nc1ccc(C)cc1C)[*:1]
CCc1ccc(-c2cc(NC(C)=O)c(=O)n([C@@H](C)C(=O)Nc3ccc(C)cc3C)n2)cc1 CC(=O)N[*:1] CCc1ccc(cc1)-c1cc(c(=O)n(n1)[C@@H](C)C(=O)Nc1ccc(C)cc1C)[*:1]
COC(=O)[C@@H]1CCN(C(=O)c2cc(OC)ccc2N)C1 COC(=O)[*:1] COc1ccc(N)c(c1)C(=O)N1CC[C@H](C1)[*:1]
CCOc1cccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)c1 CCO[*:1] COc1cc(/C=C/C(=O)c2cccc(c2)[*:1])c(OC)c2OCOc12
COC(=O)[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@@H]1[*:1])c1[nH]c2ccccc2[nH+]1
O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] O=C(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])[C@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC(=O)N(CC2CC2)C1 O=[N+]([O-])[*:1] O=C(Nc1n[nH]c2ccc(cc12)[*:1])[C@H]1CC(=O)N(CC2CC2)C1
O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] O=C(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc([C@](C)(O)CNc2nc(C(F)F)nc3ccccc23)o1 FC(F)[*:1] Cc1ccc(o1)[C@](C)(O)CNc1nc(nc2ccccc12)[*:1]
Cc1ccc([C@](C)(O)CNc2nc(C(F)F)nc3ccccc23)o1 Cc1ccc(o1)[*:1] C[C@](O)(CNc1nc(nc2ccccc12)C(F)F)[*:1]
Cc1nc(NC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(Cl)cc1Cl Cc1nc(c(Cl)cc1Cl)[*:1] O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 CC(C)O[*:1] Cc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)OC(C)C)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 CC(C)[*:1] Cc1cc(ccc1NC(=S)NC(=O)c1ccc(cc1)O[*:1])[N+](=O)[O-]
CCN(Cc1c(F)cccc1F)C(=O)NCCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(Cc1c(F)cccc1F)C(=O)NCCc1ccccc1[*:1]
CCN(Cc1c(F)cccc1F)C(=O)NCCc1ccccc1[N+](=O)[O-] Fc1cccc(F)c1[*:1] CCN(C[*:1])C(=O)NCCc1ccccc1[N+](=O)[O-]
COc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(Cl)c2)c1 COc1cccc(c1)[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1nnc2CCCCCn21)[*:1]
COc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(Cl)c2)c1 C1CCc2nnc(n2CC1)[*:1] COc1cccc(c1)N(C[*:1])C(=O)Nc1cccc(Cl)c1
COc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] COc1cccc(c1)N(Cc1nnc2CCCCCn21)C(=O)N[*:1]
CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)cn1 CC(C)[*:1] C[C@@H]([NH2+][C@H]1CC(=O)N(C1)C1CC1)c1cnn(c1)[*:1]
CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)cn1 C1CC1[*:1] CC(C)n1cc(cn1)[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1]
Cc1c(C(=O)NCCS(=O)(=O)C(C)(C)C)cnn1C(C)C CC(C)(C)[*:1] Cc1c(cnn1C(C)C)C(=O)NCCS(=O)(=O)[*:1]
Cc1c(C(=O)NCCS(=O)(=O)C(C)(C)C)cnn1C(C)C CC(C)(C)S(=O)(=O)[*:1] Cc1c(cnn1C(C)C)C(=O)NCC[*:1]
Cc1c(C(=O)NCCS(=O)(=O)C(C)(C)C)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NCCS(=O)(=O)C(C)(C)C
Cn1c2c(c(=O)n(C)c1=O)[C@@H](CC(=O)Nc1ccc(F)cc1)C(=O)N2 Fc1ccc(cc1)[*:1] Cn1c2NC(=O)[C@H](CC(=O)N[*:1])c2c(=O)n(C)c1=O
COc1ccc(COCCNC(=O)Nc2cccc(C)c2Cl)cc1 COc1ccc(cc1)[*:1] Cc1cccc(NC(=O)NCCOC[*:1])c1Cl
COc1ccc(COCCNC(=O)Nc2cccc(C)c2Cl)cc1 Cc1cccc(c1Cl)[*:1] COc1ccc(cc1)COCCNC(=O)N[*:1]
Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3[n+](C[C@@H]3CCCO3)c2N)cc1 Cc1ccc(cc1)CNC(=O)[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1C[C@@H]1CCCO1)[*:1]
Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3[n+](C[C@@H]3CCCO3)c2N)cc1 Cc1ccc(cc1)[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1C[C@@H]1CCCO1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3[n+](C[C@@H]3CCCO3)c2N)cc1 Cc1ccc(cc1)C[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1C[C@@H]1CCCO1)C(=O)N[*:1]
O=C(NCC1CC1)c1csc(-c2ccsc2)n1 C1CC1C[*:1] O=C(N[*:1])c1csc(n1)-c1ccsc1
O=C(NCC1CC1)c1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] O=C(NCC1CC1)c1csc(n1)[*:1]
O=C(NCC1CC1)c1csc(-c2ccsc2)n1 C1CC1[*:1] O=C(NC[*:1])c1csc(n1)-c1ccsc1
CC(=O)Nc1ccccc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 CC(=O)O[*:1] CC(=O)Nc1ccccc1/C=C/c1ccc2cccc(c2n1)[*:1]
CC(=O)Nc1ccccc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 CC(=O)N[*:1] CC(=O)Oc1cccc2ccc(/C=C/c3ccccc3[*:1])nc12
O=C(CSCc1ccc(Cl)s1)Nc1ccsc1C(=O)[O-] O=C([O-])[*:1] O=C(CSCc1ccc(Cl)s1)Nc1ccsc1[*:1]
O=C(CSCc1ccc(Cl)s1)Nc1ccsc1C(=O)[O-] Clc1ccc(s1)[*:1] O=C(CSC[*:1])Nc1ccsc1C(=O)[O-]
Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCOCC2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)[C@H](CNC(=O)[*:1])N1CCOCC1
Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1ccc2OCOc2c1
Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)c1ccc2OCOc2c1)[*:1]
O=C(/C=C/c1cccc(F)c1)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] O=C(/C=C/c1cccc(F)c1)NCc1ccnc(c1)O[*:1]
O=C(/C=C/c1cccc(F)c1)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] O=C(/C=C/c1cccc(F)c1)NCc1ccnc(c1)[*:1]
O=C(/C=C/c1cccc(F)c1)NCc1ccnc(OC2CCC2)c1 Fc1cccc(c1)[*:1] O=C(C=C[*:1])NCc1ccnc(c1)OC1CCC1
CC1(C)CCCC[C@H]1[NH2+]CCCOCc1ccco1 c1coc(c1)[*:1] CC1(C)CCCC[C@H]1[NH2+]CCCOC[*:1]
CC1(C)CCCC[C@H]1[NH2+]CCCOCc1ccco1 c1coc(c1)C[*:1] CC1(C)CCCC[C@H]1[NH2+]CCCO[*:1]
Cc1nc(-c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2)no1 N#Cc1cccc(c1)[*:1] Cc1nc(no1)-c1ccc(cc1)NC(=O)N[*:1]
Cc1nc(-c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2)no1 Cc1nc(no1)[*:1] N#Cc1cccc(c1)NC(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Nc1ccc(C(N)=O)nn1)c1ccc(F)c(F)c1 NC(=O)[*:1] C[C@@H](Nc1ccc(nn1)[*:1])c1ccc(F)c(F)c1
C[C@H]1OCC[C@@H]1C(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 C1CC1C[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCC(CC1)N(C(=O)OC(C)(C)C)[*:1]
C[C@H]1OCC[C@@H]1C(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 C1CC1[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCC(CC1)N(C[*:1])C(=O)OC(C)(C)C
C[C@H]1OCC[C@@H]1C(=O)N1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCC(CC1)N(CC1CC1)C(=O)O[*:1]
CC(C)[C@@H](C(=O)NCc1cccnc1)N1C[C@H](C)O[C@H](C)C1 c1cncc(c1)C[*:1] CC(C)[C@@H](C(=O)N[*:1])N1C[C@H](C)O[C@H](C)C1
CC(C)[C@@H](C(=O)NCc1cccnc1)N1C[C@H](C)O[C@H](C)C1 c1cncc(c1)[*:1] CC(C)[C@@H](C(=O)NC[*:1])N1C[C@H](C)O[C@H](C)C1
CC(C)[C@@H](C(=O)NCc1cccnc1)N1C[C@H](C)O[C@H](C)C1 CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@H](C(=O)NCc1cccnc1)[*:1]
COc1ccccc1CC(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 COc1ccccc1C[*:1] O=C(N1CCc2nc(ncc2C1)[C@H]1CCCC[NH2+]1)[*:1]
COc1ccccc1CC(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1 COc1ccccc1[*:1] O=C(C[*:1])N1CCc2nc(ncc2C1)[C@H]1CCCC[NH2+]1
Cc1cc(CC(=O)NC(C)(C)Cc2ccccc2C)no1 Cc1ccccc1[*:1] Cc1cc(CC(=O)NC(C)(C)C[*:1])no1
Cc1cc(CC(=O)NC(C)(C)Cc2ccccc2C)no1 Cc1cc(C[*:1])no1 Cc1ccccc1CC(C)(C)NC(=O)[*:1]
Cc1cc(CC(=O)NC(C)(C)Cc2ccccc2C)no1 Cc1cc(no1)[*:1] Cc1ccccc1CC(C)(C)NC(=O)C[*:1]
C[C@@H](CCNC(=O)N1CCC2(CC1)OCCO2)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CCNC(=O)N1CCC2(CC1)OCCO2)[*:1]
O=C(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCC2)c1 c1csc(c1)C[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
O=C(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCC2)c1 c1csc(c1)[*:1] O=C(NC[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
Cc1csc(Sc2ccc(NC(=O)C[C@H]3CCCO3)cc2)n1 Cc1csc(n1)S[*:1] O=C(C[C@H]1CCCO1)Nc1ccc(cc1)[*:1]
Cc1csc(Sc2ccc(NC(=O)C[C@H]3CCCO3)cc2)n1 C1CO[C@H](C1)[*:1] Cc1csc(n1)Sc1ccc(cc1)NC(=O)C[*:1]
Cc1csc(Sc2ccc(NC(=O)C[C@H]3CCCO3)cc2)n1 C1CO[C@H](C1)C[*:1] Cc1csc(n1)Sc1ccc(cc1)NC(=O)[*:1]
Cc1csc(Sc2ccc(NC(=O)C[C@H]3CCCO3)cc2)n1 Cc1csc(n1)[*:1] O=C(C[C@H]1CCCO1)Nc1ccc(cc1)S[*:1]
CCN(CC(=O)OC)C(=O)N1CCCCCC1 COC(=O)[*:1] CCN(C[*:1])C(=O)N1CCCCCC1
CCN(CC(=O)OC)C(=O)N1CCCCCC1 COC(=O)C[*:1] CCN(C(=O)N1CCCCCC1)[*:1]
CCc1nn2c(ncc3c(=O)n([C@@H](Cc4ccccc4)C(=O)[O-])ccc32)c1-c1ccccc1 c1ccc(cc1)[*:1] CCc1nn2c(ncc3c(=O)n(ccc32)[C@@H](C[*:1])C(=O)[O-])c1-c1ccccc1
CCc1nn2c(ncc3c(=O)n([C@@H](Cc4ccccc4)C(=O)[O-])ccc32)c1-c1ccccc1 c1ccc(cc1)[*:1] CCc1nn2c(ncc3c(=O)n(ccc32)[C@@H](Cc2ccccc2)C(=O)[O-])c1[*:1]
CCc1nn2c(ncc3c(=O)n([C@@H](Cc4ccccc4)C(=O)[O-])ccc32)c1-c1ccccc1 O=C([O-])[*:1] CCc1nn2c(ncc3c(=O)n(ccc32)[C@@H](Cc2ccccc2)[*:1])c1-c1ccccc1
CCc1nn2c(ncc3c(=O)n([C@@H](Cc4ccccc4)C(=O)[O-])ccc32)c1-c1ccccc1 c1ccc(cc1)C[*:1] CCc1nn2c(ncc3c(=O)n(ccc32)[C@@H](C(=O)[O-])[*:1])c1-c1ccccc1
Cc1ccoc1-c1nnc(CN2CCN(Cc3[nH+]ccn3C)CC2)o1 Cc1ccoc1[*:1] Cn1cc[nH+]c1CN1CCN(CC1)Cc1nnc(o1)[*:1]
CCn1c(=O)[nH]c2cc(C(=O)Nc3ncccc3C)ccc2c1=O Cc1cccnc1[*:1] CCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N[*:1]
O=C(Cc1c(F)cc(F)cc1F)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 c1cc(ccn1)[*:1] O=C(Cc1c(F)cc(F)cc1F)NC[C@@H]1Cc2cccc(c2O1)[*:1]
O=C(Cc1c(F)cc(F)cc1F)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 Fc1cc(F)c(c(F)c1)[*:1] O=C(C[*:1])NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1
Cc1cc2nc([C@@H](C)O)n(Cc3ccccc3Cl)c2cc1C C[C@@H](O)[*:1] Cc1cc2nc(n(Cc3ccccc3Cl)c2cc1C)[*:1]
Cc1cc2nc([C@@H](C)O)n(Cc3ccccc3Cl)c2cc1C Clc1ccccc1[*:1] Cc1cc2nc([C@@H](C)O)n(C[*:1])c2cc1C
Cc1cc(SCC(=O)Nc2ccc(Br)cc2)nc2ccc(S(=O)(=O)N(C)C)cc12 CN(C)S(=O)(=O)[*:1] Cc1cc(nc2ccc(cc12)[*:1])SCC(=O)Nc1ccc(Br)cc1
Cc1cc(SCC(=O)Nc2ccc(Br)cc2)nc2ccc(S(=O)(=O)N(C)C)cc12 Brc1ccc(cc1)[*:1] Cc1cc(nc2ccc(cc12)S(=O)(=O)N(C)C)SCC(=O)N[*:1]
O=C(Nc1ccc2ncccc2c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2ncccc2c1)[C@@H](Cc1ccccc1)NS(=O)(=O)[*:1]
O=C(Nc1ccc2ncccc2c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 c1cnc2ccc(cc2c1)[*:1] O=C(N[*:1])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
O=C(Nc1ccc2ncccc2c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C(Nc1ccc2ncccc2c1)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[*:1]
O=C(Nc1ccc2ncccc2c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2ncccc2c1)[C@@H](C[*:1])NS(=O)(=O)c1ccc(Cl)cc1
Cc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3)C2=O)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)N1CCCN(C[*:1])C1=O)c1ccc(F)cc1
Cc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3)C2=O)c1 Cc1cccc(c1)C[*:1] O=C(Nc1ccc(cc1)N1CCCN(C1=O)[*:1])c1ccc(F)cc1
Cc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3)C2=O)c1 O=C(N[*:1])c1ccc(F)cc1 Cc1cccc(c1)CN1CCCN(C1=O)c1ccc(cc1)[*:1]
Cc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3)C2=O)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)CN1CCCN(C1=O)c1ccc(cc1)NC(=O)[*:1]
O[C@@]1(c2ccccc2)[C@@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(O)[C@H](Br)[C@H]4[C@H]3[C@H]12 c1ccc(cc1)[*:1] O[C@]1([C@@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(O)[C@H](Br)[C@H]4[C@H]3[C@H]12)[*:1]
Cc1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c(C)cc1Cl Fc1ccccc1[*:1] Cc1cc(c(C)cc1Cl)S(=O)(=O)N1CCN(CC1)[*:1]
COc1ccc2c(c1)c(C=O)cn2Cc1cccnc1 c1cncc(c1)[*:1] COc1ccc2c(c1)c(C=O)cn2C[*:1]
O=[N+]([O-])c1cccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 O=[N+]([O-])[*:1] O=S1(=O)C[C@@H](O)[C@@H](C1)Nc1cccc(c1)[*:1]
Cn1nc(C(=O)NCCc2ccc(F)cc2)cc1NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)NCCc1ccc(F)cc1
Cn1nc(C(=O)NCCc2ccc(F)cc2)cc1NC(=O)C1CCCCC1 O=C(N[*:1])C1CCCCC1 Cn1nc(cc1[*:1])C(=O)NCCc1ccc(F)cc1
Cn1nc(C(=O)NCCc2ccc(F)cc2)cc1NC(=O)C1CCCCC1 Fc1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)C1CCCCC1)C(=O)NCC[*:1]
Cn1nc(C(=O)NCCc2ccc(F)cc2)cc1NC(=O)C1CCCCC1 Fc1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)C1CCCCC1)C(=O)NC[*:1]
Cn1nc(C(=O)NCCc2ccc(F)cc2)cc1NC(=O)C1CCCCC1 Fc1ccc(cc1)CC[*:1] Cn1nc(cc1NC(=O)C1CCCCC1)C(=O)N[*:1]
C[C@H](Cc1ccccc1F)NC(=O)CCc1nc(-c2ncccn2)no1 c1cnc(nc1)[*:1] C[C@H](Cc1ccccc1F)NC(=O)CCc1nc(no1)[*:1]
C[C@H](Cc1ccccc1F)NC(=O)CCc1nc(-c2ncccn2)no1 Fc1ccccc1C[*:1] C[C@H](NC(=O)CCc1nc(no1)-c1ncccn1)[*:1]
C[C@H](Cc1ccccc1F)NC(=O)CCc1nc(-c2ncccn2)no1 Fc1ccccc1[*:1] C[C@H](C[*:1])NC(=O)CCc1nc(no1)-c1ncccn1
CC(C)c1ccccc1NC(=O)c1cccc(F)c1Cl CC(C)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(F)c1Cl
C[C@H](C(=O)NCCc1ccc(C(F)(F)F)cc1)N1C(=O)c2ccccc2C1=O FC(F)(F)[*:1] C[C@H](C(=O)NCCc1ccc(cc1)[*:1])N1C(=O)c2ccccc2C1=O
COc1ccc(-c2cc(C(=O)[O-])nn2C)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1cc(nn1C)[*:1]
CC(C)c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] CC(C)c1n[nH]c(n1)SCC(=O)Nc1ccc(cc1)[*:1]
CC(C)c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 CC(C)[*:1] O=C(CSc1nc(n[nH]1)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
CNC(=O)C[C@H](C[NH3+])N1CCN(S(C)(=O)=O)CC1 CNC(=O)C[*:1] CS(=O)(=O)N1CCN(CC1)[C@@H](C[NH3+])[*:1]
CNC(=O)C[C@H](C[NH3+])N1CCN(S(C)(=O)=O)CC1 CNC(=O)[*:1] CS(=O)(=O)N1CCN(CC1)[C@@H](C[NH3+])C[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2SCCc3ccccc32)C1 CCNS(=O)(=O)[*:1] O=C([C@H]1SCCc2ccccc21)N1CC[C@H](C1)[*:1]
Cc1ccccc1COC1CCN(C(=O)C2CC=CC2)CC1 Cc1ccccc1[*:1] O=C(C1CC=CC1)N1CCC(CC1)OC[*:1]
O=C(c1cnns1)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(c1cnns1)N1CCC[C@H]1CC[*:1]
O=C(c1cnns1)N1CCC[C@H]1CCc1ccccc1 c1nnsc1[*:1] O=C(N1CCC[C@H]1CCc1ccccc1)[*:1]
O=C(CCS(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)(CC[*:1])Cc1cc(Cl)c2OCOc2c1
O=C(N/N=C/c1ccncc1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 c1cc(ccn1)[*:1] O=C(NN=C[*:1])c1cc(n[nH]1)-c1ccc2CCc3cccc1c32
CC(=O)c1cccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] CC(=O)c1cccc(c1)NC(=O)CCOc1ccc(cc1)[*:1]
CC(=O)c1cccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)c1 CC(=O)[*:1] O=C(CCOc1ccc(cc1)[N+](=O)[O-])Nc1cccc(c1)[*:1]
O=C([O-])[C@H]1CCN1C(=O)OCC1c2ccccc2-c2ccccc21 O=C([O-])[*:1] O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@@H]1[*:1]
O=C(Nc1nc2c(ccc3ccccc32)s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(Nc1nc2c(ccc3ccccc32)s1)[C@@H]1CCCN1S(=O)(=O)[*:1]
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nncn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nncn1[*:1]
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nncn1-c1cccc(Cl)c1 COc1ccc(Cl)cc1[*:1] C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)N[*:1]
Cc1nc(C2(NC(=O)Cc3csc(-n4c(C)ccc4C)n3)CCCC2)no1 Cc1ccc(C)n1[*:1] Cc1nc(no1)C1(CCCC1)NC(=O)Cc1csc(n1)[*:1]
Cc1nc(C2(NC(=O)Cc3csc(-n4c(C)ccc4C)n3)CCCC2)no1 Cc1nc(no1)[*:1] Cc1ccc(C)n1-c1nc(cs1)CC(=O)NC1(CCCC1)[*:1]
CCOc1ccc(-n2ccn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c2=O)cc1 CCO[*:1] O=C(Cn1ccn(-c2ccc(cc2)[*:1])c(=O)c1=O)Nc1ccc2OCOc2c1
CCOc1ccc(-n2ccn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(Cn1ccn(c(=O)c1=O)[*:1])Nc1ccc2OCOc2c1
CCOc1ccc(-n2ccn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c2=O)cc1 c1cc2OCOc2cc1[*:1] CCOc1ccc(cc1)-n1ccn(CC(=O)N[*:1])c(=O)c1=O
Nc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 Nc1ccc(cc1)[*:1] O=C([C@H](OC(=O)[*:1])c1ccccc1)N1CCOCC1
Nc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Nc1ccc(cc1)C(=O)O[C@@H](C(=O)N1CCOCC1)[*:1]
Nc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 O=C(N1CCOCC1)[*:1] Nc1ccc(cc1)C(=O)O[C@@H](c1ccccc1)[*:1]
COC(=O)c1cccc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1 COC(=O)[*:1] O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1cccc(c1)[*:1]
Cc1ccc(NC(=O)CCCNC(=O)NC2CCCCC2)c(O)c1 Cc1ccc(c(O)c1)[*:1] O=C(CCCNC(=O)NC1CCCCC1)N[*:1]
Cc1ccc(NC(=O)CCCNC(=O)NC2CCCCC2)c(O)c1 C1CCC(CC1)[*:1] Cc1ccc(NC(=O)CCCNC(=O)N[*:1])c(O)c1
C[C@@H](c1ccccc1Cl)N(C(=O)NCCNC(=O)C(C)(C)C)C1CC1 CC(C)(C)C(=O)N[*:1] C[C@@H](c1ccccc1Cl)N(C(=O)NCC[*:1])C1CC1
C[C@@H](c1ccccc1Cl)N(C(=O)NCCNC(=O)C(C)(C)C)C1CC1 CC(C)(C)[*:1] C[C@@H](c1ccccc1Cl)N(C(=O)NCCNC(=O)[*:1])C1CC1
C[C@@H](c1ccccc1Cl)N(C(=O)NCCNC(=O)C(C)(C)C)C1CC1 Clc1ccccc1[*:1] C[C@@H](N(C(=O)NCCNC(=O)C(C)(C)C)C1CC1)[*:1]
C[C@@H](c1ccccc1Cl)N(C(=O)NCCNC(=O)C(C)(C)C)C1CC1 C1CC1[*:1] C[C@@H](c1ccccc1Cl)N(C(=O)NCCNC(=O)C(C)(C)C)[*:1]
C[C@@H](c1ccccc1Cl)N(C(=O)NCCNC(=O)C(C)(C)C)C1CC1 CC(C)(C)C(=O)NC[*:1] C[C@@H](c1ccccc1Cl)N(C(=O)NC[*:1])C1CC1
COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] COc1ccccc1CNC(=O)c1cccc(c1)[*:1]
COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 COc1ccccc1[*:1] O=C(NC[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
Cc1cc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)no1 CC(C)N(C)S(=O)(=O)[*:1] Cc1cc(CC(=O)Nc2ccc(cc2)[*:1])no1
Cc1cc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)no1 CC(C)[*:1] Cc1cc(CC(=O)Nc2ccc(cc2)S(=O)(=O)N(C)[*:1])no1
Cc1cc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)no1 Cc1cc(no1)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1cc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)no1 Cc1cc(C[*:1])no1 CC(C)N(C)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)o1 Cn1ccc(n1)[*:1] CCc1ccc(o1)[C@@H](C)[NH2+][C@@H]1CCCN(C1=O)[*:1]
CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)o1 CCc1ccc(o1)[*:1] C[C@@H]([NH2+][C@@H]1CCCN(C1=O)c1ccn(C)n1)[*:1]
Cc1ccc(CNc2cccc(OCCCC#N)c2)o1 N#CCCCO[*:1] Cc1ccc(CNc2cccc(c2)[*:1])o1
Cc1ccc(CNc2cccc(OCCCC#N)c2)o1 N#CCCC[*:1] Cc1ccc(CNc2cccc(c2)O[*:1])o1
Cc1ccc(CNc2cccc(OCCCC#N)c2)o1 N#CCC[*:1] Cc1ccc(CNc2cccc(c2)OC[*:1])o1
Cc1ccc(CNc2cccc(OCCCC#N)c2)o1 N#CC[*:1] Cc1ccc(CNc2cccc(c2)OCC[*:1])o1
Cc1ccc(CNc2cccc(OCCCC#N)c2)o1 Cc1ccc(o1)[*:1] N#CCCCOc1cccc(c1)NC[*:1]
COc1ccccc1-c1nnc2sc(NC(=O)c3cccc(Cl)c3)nn12 Clc1cccc(c1)[*:1] COc1ccccc1-c1nnc2sc(nn12)NC(=O)[*:1]
COc1ccccc1-c1nnc2sc(NC(=O)c3cccc(Cl)c3)nn12 COc1ccccc1[*:1] O=C(Nc1nn2c(nnc2s1)[*:1])c1cccc(Cl)c1
CNC(=O)c1cc(NCc2cnn(C)c2C)ccc1Cl CNC(=O)[*:1] Cc1c(cnn1C)CNc1ccc(Cl)c(c1)[*:1]
CCOC[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 CCOC[*:1] O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 Clc1ccc(s1)[*:1] CCOC[C@H]1CCN(C1)C(=O)CNS(=O)(=O)[*:1]
CCOC[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 CCO[*:1] O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CC[C@@H](C1)C[*:1]
CCOc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-] CCO[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccc2OCOc2c1
CCOc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ncnc(Nc2ccc3OCOc3c2)c1[*:1]
Cn1cnc(CNC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)n1 Cn1cnc(C[*:1])n1 O=C(N[*:1])N1CCN(CC1)Cc1cccc(Cl)c1
Cn1cnc(CNC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])N1CCN(CC1)Cc1cccc(Cl)c1
Cn1cnc(CNC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)n1 Clc1cccc(c1)C[*:1] Cn1cnc(CNC(=O)N2CCN(CC2)[*:1])n1
Cn1cnc(CNC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)n1 Clc1cccc(c1)[*:1] Cn1cnc(CNC(=O)N2CCN(CC2)C[*:1])n1
COC[C@@H](C)[NH+]1CCN(Cc2nnc3n(C)c(=O)c4ccccc4n23)CC1 COC[*:1] C[C@@H]([NH+]1CCN(CC1)Cc1nnc2n(C)c(=O)c3ccccc3n12)[*:1]
Cc1c(Cl)cccc1-n1c(C)nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c2c1=S c1ccc2CN(CCc2c1)[*:1] Cc1c(Cl)cccc1-n1c(C)nc2nc([nH]c(=O)c2c1=S)[*:1]
Cc1c(Cl)cccc1-n1c(C)nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c2c1=S Cc1c(Cl)cccc1[*:1] Cc1nc2nc([nH]c(=O)c2c(=S)n1[*:1])N1CCc2ccccc2C1
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(COc2ccc(Cl)cc2)s1 Clc1ccc(cc1)OC[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])Nc1nnc(s1)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(COc2ccc(Cl)cc2)s1 Clc1ccc(cc1)O[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])Nc1nnc(C[*:1])s1
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(COc2ccc(Cl)cc2)s1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C[*:1])Nc1nnc(COc2ccc(Cl)cc2)s1
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(COc2ccc(Cl)cc2)s1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1nnc(COc2ccc(Cl)cc2)s1
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(COc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])Nc1nnc(CO[*:1])s1
Cc1ccc(C(=O)CCC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)s1 Cc1ccc(s1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)CCC(=O)[*:1]
COc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(NC(=O)C(C)C)c1 CC(C)C(=O)N[*:1] COc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(c1)[*:1]
COc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(NC(=O)C(C)C)c1 CC(C)[*:1] COc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(c1)NC(=O)[*:1]
Cc1ccc(OCc2cc(=O)n3ccsc3n2)c(NC(=O)c2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] Cc1ccc(OCc2cc(=O)n3ccsc3n2)c(c1)NC(=O)[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)NN[*:1]
C#CC[C@]1(C(=O)[O-])CC[C@@H](C)C1 O=C([O-])[*:1] C#CC[C@@]1(CC[C@@H](C)C1)[*:1]
C#CC[C@]1(C(=O)[O-])CC[C@@H](C)C1 C#CC[*:1] C[C@@H]1CC[C@](C1)(C(=O)[O-])[*:1]
C[C@@H]1Oc2ccc(C(=O)[C@@H](C)Cl)cc2N(C)C1=O C[C@@H](Cl)C(=O)[*:1] C[C@@H]1Oc2ccc(cc2N(C)C1=O)[*:1]
C[C@@H]1Oc2ccc(C(=O)[C@@H](C)Cl)cc2N(C)C1=O C[C@@H](Cl)[*:1] C[C@@H]1Oc2ccc(cc2N(C)C1=O)C(=O)[*:1]
C[C@H](Cn1cccn1)C(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 c1ccc(nc1)[*:1] C[C@H](Cn1cccn1)C(=O)N1CCc2c(C1)nc([nH]c2=O)[*:1]
C[C@H](Cn1cccn1)C(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 c1cnn(c1)C[*:1] C[C@H](C(=O)N1CCc2c(C1)nc([nH]c2=O)-c1ccccn1)[*:1]
C[C@H](Cn1cccn1)C(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 c1cnn(c1)[*:1] C[C@H](C[*:1])C(=O)N1CCc2c(C1)nc([nH]c2=O)-c1ccccn1
C[C@@H](C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21)N1C(=O)c2ccccc2C1=O O=S(=O)(N1CCOCC1)[*:1] C[C@@H](C(=O)N1CCc2cc(ccc21)[*:1])N1C(=O)c2ccccc2C1=O
C[C@@H](C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21)N1C(=O)c2ccccc2C1=O O=C1c2ccccc2C(=O)N1[*:1] C[C@@H](C(=O)N1CCc2cc(ccc21)S(=O)(=O)N1CCOCC1)[*:1]
Cc1nc([C@@H]2CCCN2C(=O)C2CC2)[nH]c(=O)c1C C1CC1[*:1] Cc1nc([nH]c(=O)c1C)[C@@H]1CCCN1C(=O)[*:1]
O=C(CCc1ccc(F)cc1)N1CCC[C@H]1C[NH+]1CCCC1 Fc1ccc(cc1)[*:1] O=C(CC[*:1])N1CCC[C@H]1C[NH+]1CCCC1
CCOc1ccc(C(=O)c2ccc(C)cc2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)c1ccc(C)cc1
CCOc1ccc(C(=O)c2ccc(C)cc2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)c1ccc(C)cc1
CCOc1ccc(C(=O)c2ccc(C)cc2)cc1OCC Cc1ccc(cc1)[*:1] CCOc1ccc(cc1OCC)C(=O)[*:1]
CC(=O)C1=C(C)C(C(=O)Nc2cccnc2)=N[C@@H]1C c1cncc(c1)[*:1] CC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)N[*:1]
CC(=O)C1=C(C)C(C(=O)Nc2cccnc2)=N[C@@H]1C CC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)Nc1cccnc1
C=CCOc1ccc(C(=O)NCc2ccc([S@](C)=O)cc2)cc1 C=CC[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)c1ccc(cc1)O[*:1]
C=CCOc1ccc(C(=O)NCc2ccc([S@](C)=O)cc2)cc1 C=CCO[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)c1ccc(cc1)[*:1]
O=C(NC1CCCC1)c1cncc([N-]S(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] O=C(NC1CCCC1)c1cncc(c1)[N-]S(=O)(=O)[*:1]
O=C(NC1CCCC1)c1cncc([N-]S(=O)(=O)c2ccc(F)cc2)c1 C1CCC(C1)[*:1] O=C(N[*:1])c1cncc(c1)[N-]S(=O)(=O)c1ccc(F)cc1
O=C(NC1CCCC1)c1cncc([N-]S(=O)(=O)c2ccc(F)cc2)c1 O=C(NC1CCCC1)[*:1] O=S(=O)([N-]c1cncc(c1)[*:1])c1ccc(F)cc1
Cc1noc(CCC(=O)Nc2ccc(Br)cc2C(C)C)n1 Cc1noc(C[*:1])n1 CC(C)c1cc(Br)ccc1NC(=O)C[*:1]
Cc1noc(CCC(=O)Nc2ccc(Br)cc2C(C)C)n1 CC(C)[*:1] Cc1noc(CCC(=O)Nc2ccc(Br)cc2[*:1])n1
Cc1noc(CCC(=O)Nc2ccc(Br)cc2C(C)C)n1 Cc1noc(n1)[*:1] CC(C)c1cc(Br)ccc1NC(=O)CC[*:1]
Cc1ccc(NC(=O)COC(=O)c2ccnc(Cl)c2)cc1F Clc1cc(ccn1)[*:1] Cc1ccc(cc1F)NC(=O)COC(=O)[*:1]
O=C([C@H]1C[C@H]2CC[C@@H]1O2)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] O=C([C@H]1C[C@H]2CC[C@@H]1O2)N1CCN(CC1)c1ccnc(n1)[*:1]
CC(C)[C@H](C)C[NH2+]Cc1ccc(Br)cc1N CC(C)[*:1] C[C@H](C[NH2+]Cc1ccc(Br)cc1N)[*:1]
CC(C)[C@H](C)C[NH2+]Cc1ccc(Br)cc1N CC(C)[C@H](C)[*:1] Nc1cc(Br)ccc1C[NH2+]C[*:1]
CC(C)[C@@H]1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)[C@@H]1N(CCN1S(=O)(=O)[*:1])C(=O)N(C)C
CC(C)[C@@H]1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccc(Cl)cc1 CC(C)[*:1] CN(C)C(=O)N1CCN([C@@H]1[*:1])S(=O)(=O)c1ccc(Cl)cc1
COc1cc([C@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)N2CCCCC2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CN(C[C@H]1C(=O)N1CCCCC1)C(=O)[*:1]
COc1cc([C@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)N2CCCCC2)cc(OC)c1OC O=C(N1CCCCC1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CN(C[C@@H]1[*:1])C(=O)c1ccccc1
N[C@H](C[NH3+])c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N[C@H](C[NH3+])c1ccc(Cl)c(c1)[*:1]
CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC O=C(Nc1cccc(Cl)c1)[*:1] CCOc1cc(cc(Cl)c1OC)[C@H]1NC(=S)NC(C)=C1[*:1]
CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(cc1[*:1])[C@H]1NC(=S)NC(C)=C1C(=O)Nc1cccc(Cl)c1
CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC Clc1cccc(c1)[*:1] CCOc1cc(cc(Cl)c1OC)[C@H]1NC(=S)NC(C)=C1C(=O)N[*:1]
COc1cccc(CN2CCO[C@H](c3cccc(F)c3)C2)c1OC(F)F Fc1cccc(c1)[*:1] COc1cccc(CN2CCO[C@H](C2)[*:1])c1OC(F)F
COc1cccc(CN2CCO[C@H](c3cccc(F)c3)C2)c1OC(F)F FC(F)[*:1] COc1cccc(CN2CCO[C@@H](C2)c2cccc(F)c2)c1O[*:1]
COc1cccc(CN2CCO[C@H](c3cccc(F)c3)C2)c1OC(F)F FC(F)O[*:1] COc1cccc(CN2CCO[C@@H](C2)c2cccc(F)c2)c1[*:1]
CC(=O)NOCCCS(=O)(=O)c1ccc(C)cc1 CC(=O)NO[*:1] Cc1ccc(cc1)S(=O)(=O)CCC[*:1]
CC(=O)NOCCCS(=O)(=O)c1ccc(C)cc1 CC(=O)NOC[*:1] Cc1ccc(cc1)S(=O)(=O)CC[*:1]
CCC(CC)[C@H](NC(=O)N(C)C[C@@H](C)O)c1ccccc1 CCC(CC)[*:1] C[C@@H](O)CN(C)C(=O)N[C@H](c1ccccc1)[*:1]
CCC(CC)[C@H](NC(=O)N(C)C[C@@H](C)O)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)[C@H](NC(=O)N(C)C[C@@H](C)O)[*:1]
CCC(CC)[C@H](NC(=O)N(C)C[C@@H](C)O)c1ccccc1 C[C@@H](O)[*:1] CCC(CC)[C@H](NC(=O)N(C)C[*:1])c1ccccc1
CCC(CC)[C@H](NC(=O)N(C)C[C@@H](C)O)c1ccccc1 C[C@@H](O)C[*:1] CCC(CC)[C@H](NC(=O)N(C)[*:1])c1ccccc1
O=C(CCCSc1ccccc1)NC1CCN(C(=O)c2ccoc2)CC1 c1ccc(cc1)S[*:1] O=C(CCC[*:1])NC1CCN(CC1)C(=O)c1ccoc1
O=C(CCCSc1ccccc1)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] O=C(CCCSc1ccccc1)NC1CCN(CC1)C(=O)[*:1]
O=C(CCCSc1ccccc1)NC1CCN(C(=O)c2ccoc2)CC1 c1ccc(cc1)[*:1] O=C(CCCS[*:1])NC1CCN(CC1)C(=O)c1ccoc1
O=C(CCCSc1ccccc1)NC1CCN(C(=O)c2ccoc2)CC1 c1ccc(cc1)SC[*:1] O=C(CC[*:1])NC1CCN(CC1)C(=O)c1ccoc1
CC(C)(C)COC(=O)c1ccc(-n2cc(Br)cn2)nn1 CC(C)(C)[*:1] O=C(OC[*:1])c1ccc(nn1)-n1cc(Br)cn1
CC(C)(C)COC(=O)c1ccc(-n2cc(Br)cn2)nn1 Brc1cnn(c1)[*:1] CC(C)(C)COC(=O)c1ccc(nn1)[*:1]
CC(C)(C)COC(=O)c1ccc(-n2cc(Br)cn2)nn1 CC(C)(C)C[*:1] O=C(O[*:1])c1ccc(nn1)-n1cc(Br)cn1
Cc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3ccccc32)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] Cn1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
CC1(NC(=O)CCNS(=O)(=O)c2cccnc2)Cc2ccccc2C1 c1cncc(c1)[*:1] CC1(Cc2ccccc2C1)NC(=O)CCNS(=O)(=O)[*:1]
O=C(NC[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl C1CO[C@H](C1)[*:1] O=C(NC[*:1])Nc1cc(Cl)ccc1Cl
O=C(NC[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl C1CO[C@H](C1)C[*:1] O=C(Nc1cc(Cl)ccc1Cl)N[*:1]
Cc1nsc(C)c1NC(=O)CCn1ncc2cccc(C)c21 Cc1nsc(C)c1[*:1] Cc1cccc2cnn(CCC(=O)N[*:1])c12
C[C@@H](NCC1(c2cccc(F)c2)CCOCC1)c1nc(C2CC2)no1 C1CC1[*:1] C[C@@H](NCC1(CCOCC1)c1cccc(F)c1)c1nc(no1)[*:1]
C[C@@H](NCC1(c2cccc(F)c2)CCOCC1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] C[C@@H](NCC1(CCOCC1)c1cccc(F)c1)[*:1]
C[C@@H](NCC1(c2cccc(F)c2)CCOCC1)c1nc(C2CC2)no1 Fc1cccc(c1)[*:1] C[C@@H](NCC1(CCOCC1)[*:1])c1nc(no1)C1CC1
Cc1noc(COc2ccc(F)cc2[C@H](C)[NH3+])n1 Cc1noc(n1)[*:1] C[C@H]([NH3+])c1cc(F)ccc1OC[*:1]
Cc1cccc(Oc2nccn3c(=O)n(CC(=O)N4CCN(c5ccccc5F)CC4)nc23)c1C Fc1ccccc1[*:1] Cc1cccc(Oc2nccn3c(=O)n(CC(=O)N4CCN(CC4)[*:1])nc23)c1C
Cc1cccc(Oc2nccn3c(=O)n(CC(=O)N4CCN(c5ccccc5F)CC4)nc23)c1C Cc1cccc(c1C)[*:1] O=C(Cn1nc2c(nccn2c1=O)O[*:1])N1CCN(CC1)c1ccccc1F
Cc1cccc(Oc2nccn3c(=O)n(CC(=O)N4CCN(c5ccccc5F)CC4)nc23)c1C Cc1cccc(O[*:1])c1C O=C(Cn1nc2c(nccn2c1=O)[*:1])N1CCN(CC1)c1ccccc1F
O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H](O)c1cccs1 c1csc(c1)[*:1] O=C(Cc1ccc(cc1)-c1ccccc1)NC[C@@H](O)[*:1]
O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H](O)c1cccs1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[*:1])NC[C@@H](O)c1cccs1
CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
NC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1 NC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccccc1)Cc1ccco1
NC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1 c1coc(c1)C[*:1] NC(=O)Nc1ccc(cc1)C(=O)N(Cc1ccccc1)[*:1]
NC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1 c1ccc(cc1)C[*:1] NC(=O)Nc1ccc(cc1)C(=O)N(Cc1ccco1)[*:1]
NC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1 c1ccc(cc1)[*:1] NC(=O)Nc1ccc(cc1)C(=O)N(Cc1ccco1)C[*:1]
NC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1 c1coc(c1)[*:1] NC(=O)Nc1ccc(cc1)C(=O)N(Cc1ccccc1)C[*:1]
COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccnc(F)c3)C2)c1 Fc1cc(ccn1)[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)C(=O)[*:1])OC
Cc1cc(C(=O)CN(C[C@@H](C)O)c2ccccc2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)CN(C[C@@H](C)O)c2ccccc2)c(C)n1[*:1]
Cc1cc(C(=O)CN(C[C@@H](C)O)c2ccccc2)c(C)n1C1CC1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CN(C[C@@H](C)O)[*:1])c(C)n1C1CC1
COc1ccccc1CNC(=O)CCC(=O)N1CCN(c2nc3cccnc3s2)CC1 c1cnc2sc(nc2c1)[*:1] COc1ccccc1CNC(=O)CCC(=O)N1CCN(CC1)[*:1]
COc1ccccc1CNC(=O)CCC(=O)N1CCN(c2nc3cccnc3s2)CC1 COc1ccccc1C[*:1] O=C(CCC(=O)N1CCN(CC1)c1nc2cccnc2s1)N[*:1]
COc1ccccc1CNC(=O)CCC(=O)N1CCN(c2nc3cccnc3s2)CC1 COc1ccccc1[*:1] O=C(CCC(=O)N1CCN(CC1)c1nc2cccnc2s1)NC[*:1]
Cc1occc1C1=NN[C@H](S[C@@H](C)C(=O)C2=c3ccccc3=[NH+][C@@H]2C)O1 Cc1occc1[*:1] C[C@H](S[C@H]1NN=C(O1)[*:1])C(=O)C1=c2ccccc2=[NH+][C@@H]1C
O[C@]1(C(F)(F)F)CCN(Cc2cnc(-c3ccccn3)s2)C1 c1ccc(nc1)[*:1] O[C@@]1(CCN(Cc2cnc(s2)[*:1])C1)C(F)(F)F
O[C@]1(C(F)(F)F)CCN(Cc2cnc(-c3ccccn3)s2)C1 FC(F)(F)[*:1] O[C@@]1(CCN(Cc2cnc(s2)-c2ccccn2)C1)[*:1]
C[C@H](CCNC(=O)c1cccc[n+]1[O-])c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](CCNC(=O)c1cccc[n+]1[O-])c1cccc(c1)[*:1]
C[C@H](CCNC(=O)c1cccc[n+]1[O-])c1cccc(C(F)(F)F)c1 [O-][n+]1ccccc1[*:1] C[C@H](CCNC(=O)[*:1])c1cccc(c1)C(F)(F)F
COc1ccc(OC)c(S(=O)(=O)Nc2nnc(CC(C)C)s2)c1 CC(C)C[*:1] COc1ccc(OC)c(c1)S(=O)(=O)Nc1nnc(s1)[*:1]
COc1ccc(OC)c(S(=O)(=O)Nc2nnc(CC(C)C)s2)c1 CC(C)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)Nc1nnc(C[*:1])s1
NC(=O)Cc1ccccc1NC(=O)COc1ccc(Cl)cc1 NC(=O)[*:1] O=C(COc1ccc(Cl)cc1)Nc1ccccc1C[*:1]
NC(=O)Cc1ccccc1NC(=O)COc1ccc(Cl)cc1 NC(=O)C[*:1] O=C(COc1ccc(Cl)cc1)Nc1ccccc1[*:1]
NC(=O)Cc1ccccc1NC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] NC(=O)Cc1ccccc1NC(=O)CO[*:1]
CC(C)(C)C(=O)NCCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@H]1C[C@H](O)CN1C(=O)CCNC(=O)[*:1]
CC(C)(C)C(=O)NCCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)C(=O)NCCC(=O)N1C[C@@H](O)C[C@H]1[*:1]
CCc1ccsc1C[NH2+]CC(=O)Nc1cc(Cl)ccc1C CCc1ccsc1[*:1] Cc1ccc(Cl)cc1NC(=O)C[NH2+]C[*:1]
CCc1nc(CNc2cccc(N3C(=O)CCC3=O)c2C)cs1 CCc1nc(cs1)[*:1] Cc1c(cccc1N1C(=O)CCC1=O)NC[*:1]
CCc1nc(CNc2cccc(N3C(=O)CCC3=O)c2C)cs1 O=C1CCC(=O)N1[*:1] CCc1nc(cs1)CNc1cccc(c1C)[*:1]
CCOc1ccc2nc(NC(=O)C3CCN(c4cc(=O)n(C)c(=O)n4CC)CC3)sc2c1 CCO[*:1] CCn1c(cc(=O)n(C)c1=O)N1CCC(CC1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CN1C[C@@H](NC(=O)NCc2ccnc(OC3CCC3)c2)CCC1=O C1CC(C1)[*:1] CN1C[C@H](CCC1=O)NC(=O)NCc1ccnc(c1)O[*:1]
CN1C[C@@H](NC(=O)NCc2ccnc(OC3CCC3)c2)CCC1=O C1CC(C1)O[*:1] CN1C[C@H](CCC1=O)NC(=O)NCc1ccnc(c1)[*:1]
COC(=O)Cc1csc(NC(=O)C2CCC(c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] COC(=O)Cc1csc(n1)NC(=O)C1CCC(CC1)[*:1]
COC(=O)Cc1csc(NC(=O)C2CCC(c3ccccc3)CC2)n1 COC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])C1CCC(CC1)c1ccccc1
COC(=O)Cc1csc(NC(=O)C2CCC(c3ccccc3)CC2)n1 COC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])C1CCC(CC1)c1ccccc1
CCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2cc(Cl)ccc21 C1CO[C@H](C1)C[*:1] CCCn1c(nc2cc(Cl)ccc21)SCC(=O)N[*:1]
CCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2cc(Cl)ccc21 C1CO[C@H](C1)[*:1] CCCn1c(nc2cc(Cl)ccc21)SCC(=O)NC[*:1]
CCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2cc(Cl)ccc21 CCC[*:1] O=C(CSc1nc2cc(Cl)ccc2n1[*:1])NC[C@H]1CCCO1
CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O Clc1ccc(cc1)[*:1] CN(Cc1ccc(o1)[*:1])C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O
Cc1ccc(C(=O)NCc2nnnn2C2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1nnnn1C1CCCCC1)[*:1]
Cc1ccc(C(=O)NCc2nnnn2C2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)C(=O)NCc1nnnn1[*:1]
O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCC(Nc2ccccc2Cl)CC1 Clc1ccccc1N[*:1] O=C(c1cccc(c1)S(=O)(=O)NC[C@H]1CCCO1)N1CCC(CC1)[*:1]
O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCC(Nc2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(c1cccc(c1)S(=O)(=O)NC[C@H]1CCCO1)N1CCC(CC1)N[*:1]
NC(=O)NCc1ccc(NC(=O)c2cc(F)ccc2Br)cc1 NC(=O)NC[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(F)ccc1Br
NC(=O)NCc1ccc(NC(=O)c2cc(F)ccc2Br)cc1 NC(=O)N[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cc(F)ccc1Br
COC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)Nc1ccccc12 COC(=O)[*:1] NC1Oc2c(c(=O)oc3ccccc23)[C@]2(C(=O)Nc3ccccc32)C=1[*:1]
CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CSc1nc(C)n[nH]1)CC2 Cc1n[nH]c(n1)[*:1] CCC(=O)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)CS[*:1]
CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CSc1nc(C)n[nH]1)CC2 Cc1n[nH]c(n1)SC[*:1] CCC(=O)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CSc1nc(C)n[nH]1)CC2 Cc1n[nH]c(n1)S[*:1] CCC(=O)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)C[*:1]
O=[N+]([O-])c1cccc(CN2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 O=[N+]([O-])[*:1] c1ccc(cc1)C1CCC(CC1)[NH+]1CCN(CC1)Cc1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(CN2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 O=[N+]([O-])c1cccc(c1)[*:1] c1ccc(cc1)C1CCC(CC1)[NH+]1CCN(CC1)C[*:1]
O=[N+]([O-])c1cccc(CN2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)CN1CC[NH+](CC1)C1CCC(CC1)[*:1]
Cc1ccn(CC(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])n1 O=C([O-])[*:1] Cc1ccn(CC(=O)N2CCC3(CC2)NC(=O)C[C@H]3[*:1])n1
Cc1ccn(CC(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])n1 Cc1ccn(n1)[*:1] O=C1C[C@H](C(=O)[O-])C2(CCN(CC2)C(=O)C[*:1])N1
Cc1ccn(CC(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])n1 Cc1ccn(C[*:1])n1 O=C1C[C@H](C(=O)[O-])C2(CCN(CC2)C(=O)[*:1])N1
Cc1cc(C)n(-c2ccc(NC(=O)/C=C/c3cccnc3)cn2)n1 Cc1cc(C)n(n1)[*:1] O=C(/C=C/c1cccnc1)Nc1ccc(nc1)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)/C=C/c3cccnc3)cn2)n1 C(=C[*:1])c1cccnc1 Cc1cc(C)n(n1)-c1ccc(cn1)NC(=O)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)/C=C/c3cccnc3)cn2)n1 c1cncc(c1)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)NC(=O)C=C[*:1]
CC[NH2+]Cc1n[nH]c2c1C[NH+](C(C)C)CC2 CC(C)[*:1] CC[NH2+]Cc1n[nH]c2CC[NH+](Cc12)[*:1]
CC[NH2+]Cc1n[nH]c2c1C[NH+](C(C)C)CC2 CC[NH2+]C[*:1] CC(C)[NH+]1CCc2[nH]nc(c2C1)[*:1]
CC(=O)c1sc(NC(=O)COc2ccc(Br)cc2Br)nc1C CC(=O)[*:1] Cc1nc(NC(=O)COc2ccc(Br)cc2Br)sc1[*:1]
C[NH2+][C@@H](C(C)C)[C@H](C)c1ccccc1 CC(C)[*:1] C[NH2+][C@@H]([C@H](C)c1ccccc1)[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N2C(=O)CN1Cc1ccncc1 c1cc(ccn1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N2C(=O)CN1C[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N2C(=O)CN1Cc1ccncc1 c1cc(ccn1)C[*:1] O=C1CN(C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N12)[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N2C(=O)CN1Cc1ccncc1 c1ccc(cc1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](N2C(=O)CN1Cc1ccncc1)[*:1]
CCn1cc(NC(=O)C2CCN(c3nnc(C(C)(C)C)s3)CC2)cn1 CC(C)(C)[*:1] CCn1cc(cn1)NC(=O)C1CCN(CC1)c1nnc(s1)[*:1]
CCn1cc(NC(=O)C2CCN(c3nnc(C(C)(C)C)s3)CC2)cn1 CCn1cc(cn1)[*:1] CC(C)(C)c1nnc(s1)N1CCC(CC1)C(=O)N[*:1]
CC(C)[C@H](Sc1nc2sccc2c(=O)n1C)C(=O)Nc1ccccc1F CC(C)[*:1] Cn1c(nc2sccc2c1=O)S[C@H](C(=O)Nc1ccccc1F)[*:1]
CC(C)[C@H](Sc1nc2sccc2c(=O)n1C)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] CC(C)[C@H](Sc1nc2sccc2c(=O)n1C)C(=O)N[*:1]
Cc1nc(C2CCN(C(=O)N[C@H](C)Cc3ccccc3F)CC2)no1 Cc1nc(no1)[*:1] C[C@H](Cc1ccccc1F)NC(=O)N1CCC(CC1)[*:1]
Cc1nc(C2CCN(C(=O)N[C@H](C)Cc3ccccc3F)CC2)no1 Fc1ccccc1C[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@H](C)[*:1]
Cc1nc(C2CCN(C(=O)N[C@H](C)Cc3ccccc3F)CC2)no1 Fc1ccccc1[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)N[C@H](C)C[*:1]
CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1cnn(C)c1)c1ccccc1 Cn1cc(cn1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1[*:1])c1ccccc1
CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1cnn(C)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1cnn(C)c1)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1cnn(C)c1)c1ccccc1 CC(=O)N[*:1] Cn1cc(cn1)[C@@H]1CCCN1C(=O)C[C@@H](c1ccccc1)[*:1]
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1ccc2OCOc2c1
C[C@@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
C[C@@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CCOCC1 C[C@@H](C1CCOCC1)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)C(=O)N[*:1]
Cc1ccc([N+](=O)[O-])c(Nc2cc(C)n(C)n2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)Nc1cc(C)n(C)n1)[*:1]
CCC[NH2+]Cc1sc(N2C[C@@H](C)[C@H](C)C2)nc1CC CCC[*:1] CCc1nc(sc1C[NH2+][*:1])N1C[C@@H](C)[C@H](C)C1
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)C1 CCOC(=O)[*:1] COc1ccc(cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)N1CCC[C@@H](C1)[*:1]
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NCC1(CO)CC1 OCC1(CC1)[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NC[*:1]
COc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1 c1cncc(c1)[*:1] COc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1cccc(c1)[N+](=O)[O-]
COc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1 c1cncc(c1)C[*:1] COc1ccc2nc(sc2c1)N(C(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
COc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1 O=[N+]([O-])[*:1] COc1ccc2nc(sc2c1)N(Cc1cccnc1)C(=O)c1cccc(c1)[*:1]
COc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc2nc(sc2c1)N(Cc1cccnc1)C(=O)[*:1]
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1nc(C2CC2)n2ccccc12 c1coc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1nc(C2CC2)n2ccccc12
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1nc(n2ccccc12)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC(N3CCCC3=O)CC2)C1 O=C1CCCN1[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N1CCC(CC1)[*:1]
CCOC(=O)c1sc(Nc2cccc(OC)c2)nc1C CCOC(=O)[*:1] COc1cccc(c1)Nc1nc(C)c(s1)[*:1]
COC(=O)C1CCN(C(=O)c2ccc(Br)cc2O)CC1 COC(=O)[*:1] O=C(c1ccc(Br)cc1O)N1CCC(CC1)[*:1]
CC(C)CCN(C(=O)NCc1nnc2ccccn12)C1CC1 CC(C)C[*:1] O=C(NCc1nnc2ccccn12)N(C[*:1])C1CC1
CC(C)CCN(C(=O)NCc1nnc2ccccn12)C1CC1 CC(C)[*:1] O=C(NCc1nnc2ccccn12)N(CC[*:1])C1CC1
CC(C)CCN(C(=O)NCc1nnc2ccccn12)C1CC1 C1CC1[*:1] CC(C)CCN(C(=O)NCc1nnc2ccccn12)[*:1]
CC(C)CCN(C(=O)NCc1nnc2ccccn12)C1CC1 CC(C)CC[*:1] O=C(NCc1nnc2ccccn12)N(C1CC1)[*:1]
COc1ccc(NC(=S)NC(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)NC(=S)NC(=O)[*:1]
COCCCn1c(SCc2cc(Cl)nc(Cl)c2)n[nH]c1=O COCC[*:1] O=c1[nH]nc(SCc2cc(Cl)nc(Cl)c2)n1C[*:1]
COCCCn1c(SCc2cc(Cl)nc(Cl)c2)n[nH]c1=O COC[*:1] O=c1[nH]nc(SCc2cc(Cl)nc(Cl)c2)n1CC[*:1]
COCCCn1c(SCc2cc(Cl)nc(Cl)c2)n[nH]c1=O COCCC[*:1] O=c1[nH]nc(SCc2cc(Cl)nc(Cl)c2)n1[*:1]
Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)C(=O)c1cccn1C CN(C1CCCCC1)[*:1] Cc1nc(ncc1[C@@H](C)NC(=O)C(=O)c1cccn1C)[*:1]
Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)C(=O)c1cccn1C Cn1cccc1[*:1] Cc1nc(ncc1[C@@H](C)NC(=O)C(=O)[*:1])N(C)C1CCCCC1
Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)C(=O)c1cccn1C C1CCC(CC1)[*:1] Cc1nc(ncc1[C@@H](C)NC(=O)C(=O)c1cccn1C)N(C)[*:1]
C[C@H]1CN(CCNc2cncc(-n3cncn3)n2)C[C@H](C)O1 c1ncn(n1)[*:1] C[C@H]1CN(CCNc2cncc(n2)[*:1])C[C@H](C)O1
CC(C)Cc1ccc2c(c1)[C@@H](Br)[C@@H](C)C2 CC(C)C[*:1] C[C@H]1Cc2ccc(cc2[C@H]1Br)[*:1]
CC(C)Cc1ccc2c(c1)[C@@H](Br)[C@@H](C)C2 CC(C)[*:1] C[C@H]1Cc2ccc(cc2[C@H]1Br)C[*:1]
COCC[C@@H](C[NH3+])c1ccccc1F COCC[*:1] [NH3+]C[C@@H](c1ccccc1F)[*:1]
COCC[C@@H](C[NH3+])c1ccccc1F COC[*:1] [NH3+]C[C@H](C[*:1])c1ccccc1F
NC(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1N1CCCCC1 NC(=O)[*:1] O=C(C[C@H]1C=CCC1)Nc1ccc(c(c1)N1CCCCC1)[*:1]
NC(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1N1CCCCC1 C1CCN(CC1)[*:1] NC(=O)c1ccc(cc1[*:1])NC(=O)C[C@H]1C=CCC1
O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(COC(=O)c1ccc2c(=O)n3CCCc3nc2c1)Nc1ccc(cc1)O[*:1]
O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)Nc1ccc(OC(F)F)cc1 FC(F)Oc1ccc(cc1)[*:1] O=C(COC(=O)c1ccc2c(=O)n3CCCc3nc2c1)N[*:1]
O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(COC(=O)c1ccc2c(=O)n3CCCc3nc2c1)Nc1ccc(cc1)[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)OCc1cccnc1 CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)OCc1cccnc1
Cc1nc2c(cnn2C(C)C)cc1C(=O)OCc1cccnc1 c1cncc(c1)C[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)O[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)OCc1cccnc1 c1cncc(c1)[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)OC[*:1]
COCCN1CCN(C(=O)NCC(C)(C)c2cccc(C)c2)CC1=O Cc1cccc(c1)[*:1] COCCN1CCN(CC1=O)C(=O)NCC(C)(C)[*:1]
COCCN1CCN(C(=O)NCC(C)(C)c2cccc(C)c2)CC1=O COCC[*:1] Cc1cccc(c1)C(C)(C)CNC(=O)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)NCC(C)(C)c2cccc(C)c2)CC1=O COC[*:1] Cc1cccc(c1)C(C)(C)CNC(=O)N1CCN(C[*:1])C(=O)C1
CCSc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)N2 O=[N+]([O-])[*:1] CCSc1nc2NC3CCCC(=O)C=3[C@@H](c3ccccc3[*:1])n2n1
CCSc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)N2 CCS[*:1] O=C1CCCC2Nc3nc(nn3[C@@H](C=21)c1ccccc1[N+](=O)[O-])[*:1]
COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)c1 c1csc(c1)C[*:1] COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)[*:1])c3C)C2=O)c1
COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)c1 c1csc(c1)[*:1] COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)C[*:1])c3C)C2=O)c1
COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)c1 O=C(Cc1cccs1)O[*:1] COc1ccc(OC)c(/C=C2\Oc3c(ccc(c3C)[*:1])C2=O)c1
COc1ccc(OC)c(/C=C2\Oc3c(ccc(OC(=O)Cc4cccs4)c3C)C2=O)c1 COc1ccc(OC)c(c1)[*:1] Cc1c(ccc2C(=O)C(=C[*:1])Oc21)OC(=O)Cc1cccs1
CC(C)c1ccc(CN(C)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc1 CC(C)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)N[C@@H]1C=C[C@H](CO)C1
O=C(NCCc1nc2ccccc2n1CC(=O)N1CCCC1)c1ccccn1 O=C(N1CCCC1)[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])c1ccccn1
O=C(NCCc1nc2ccccc2n1CC(=O)N1CCCC1)c1ccccn1 O=C(N[*:1])c1ccccn1 O=C(Cn1c(CC[*:1])nc2ccccc21)N1CCCC1
O=C(NCCc1nc2ccccc2n1CC(=O)N1CCCC1)c1ccccn1 c1ccc(nc1)[*:1] O=C(Cn1c(CCNC(=O)[*:1])nc2ccccc21)N1CCCC1
O=C(NCCc1nc2ccccc2n1CC(=O)N1CCCC1)c1ccccn1 O=C(C[*:1])N1CCCC1 O=C(NCCc1nc2ccccc2n1[*:1])c1ccccn1
C[C@H](CO)[C@H](C)[NH2+]Cc1cc(F)ccc1F C[C@H](CO)[*:1] C[C@H]([NH2+]Cc1cc(F)ccc1F)[*:1]
Cc1cc(C)cc(OCCNC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCO[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
Cc1cc(C)cc(OCCNC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 Cc1cc(C)cc(c1)O[*:1] O=C(NCC[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
CCN(CC)C(=O)c1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1 CCN(CC)C(=O)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCc1ccc(cc1)[*:1]
COc1ccccc1CNC(=O)NCc1cccnc1-n1ccnc1C Cc1nccn1[*:1] COc1ccccc1CNC(=O)NCc1cccnc1[*:1]
COc1ccccc1CNC(=O)NCc1cccnc1-n1ccnc1C COc1ccccc1[*:1] Cc1nccn1-c1ncccc1CNC(=O)NC[*:1]
CN(CC(=O)NCC1(C)CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 CC1(CCCC1)[*:1] CN(CC(=O)NC[*:1])S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
CN(CC(=O)NCC1(C)CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 CC1(CCCC1)C[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
CN(CC(=O)NCC1(C)CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(CC(=O)NCC1(C)CCCC1)S(=O)(=O)c1cccc(c1)[*:1]
C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccccc2F)ccc1=O C=CC[*:1] O=c1ccc(nn1CN(Cc1ccc(Cl)s1)[*:1])-c1ccccc1F
C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccccc2F)ccc1=O Clc1ccc(C[*:1])s1 C=CCN(Cn1nc(ccc1=O)-c1ccccc1F)[*:1]
C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccccc2F)ccc1=O Clc1ccc(s1)[*:1] C=CCN(Cn1nc(ccc1=O)-c1ccccc1F)C[*:1]
C=CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccccc2F)ccc1=O Fc1ccccc1[*:1] C=CCN(Cc1ccc(Cl)s1)Cn1nc(ccc1=O)[*:1]
CC1(CNC(=O)N2CCOC[C@@H]2C2CC2)CCC1 CC1(CCC1)C[*:1] O=C(N[*:1])N1CCOC[C@@H]1C1CC1
CC1(CNC(=O)N2CCOC[C@@H]2C2CC2)CCC1 C1CC1[*:1] CC1(CCC1)CNC(=O)N1CCOC[C@H]1[*:1]
CC1(CNC(=O)N2CCOC[C@@H]2C2CC2)CCC1 CC1(CCC1)[*:1] O=C(NC[*:1])N1CCOC[C@@H]1C1CC1
Cc1ccc([C@@H]2CN(c3cc(C(C)C)[nH+]c(C(C)C)n3)CCO2)o1 CC(C)[*:1] Cc1ccc(o1)[C@@H]1CN(CCO1)c1cc([nH+]c(n1)[*:1])C(C)C
Cc1ccc([C@@H]2CN(c3cc(C(C)C)[nH+]c(C(C)C)n3)CCO2)o1 Cc1ccc(o1)[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N1CCO[C@@H](C1)[*:1]
Cc1ccc([C@@H]2CN(c3cc(C(C)C)[nH+]c(C(C)C)n3)CCO2)o1 CC(C)[*:1] Cc1ccc(o1)[C@@H]1CN(CCO1)c1cc([nH+]c(n1)C(C)C)[*:1]
C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(F)cc1 c1ccc(cc1)OC[*:1] C[C@@H](NC(=O)Cn1c(nc2ccccc21)[*:1])c1ccc(F)cc1
C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1c(CO[*:1])nc2ccccc21)c1ccc(F)cc1
C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(F)cc1 c1ccc(cc1)O[*:1] C[C@@H](NC(=O)Cn1c(C[*:1])nc2ccccc21)c1ccc(F)cc1
C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)[*:1]
Cc1ncccc1NC(=O)N[C@@H](C)c1ccccc1[N-]S(C)(=O)=O Cc1ncccc1[*:1] C[C@H](NC(=O)N[*:1])c1ccccc1[N-]S(C)(=O)=O
CSc1ccc(Cc2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)cc1 CSc1ccc(cc1)[*:1] O=C(Nc1nnc(C[*:1])o1)[C@H]1CCCN(C1)S(=O)(=O)c1ccccc1
CSc1ccc(Cc2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)Cc1nnc(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)[*:1])o1
CSc1ccc(Cc2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)cc1 CSc1ccc(cc1)C[*:1] O=C(Nc1nnc(o1)[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccccc1
COc1cc([C@@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc([N+](=O)[O-])c1OC O=C([O-])[*:1] COc1cc(cc(c1OC)[N+](=O)[O-])[C@@H]1[NH2+][C@@H](CS1)[*:1]
COc1cc([C@@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc([N+](=O)[O-])c1OC O=[N+]([O-])[*:1] COc1cc(cc(c1OC)[*:1])[C@@H]1[NH2+][C@H](CS1)C(=O)[O-]
Cn1c(SCC(=O)N[C@@H](c2ccccc2)C2CC2)nnc1C1CC1 c1ccc(cc1)[*:1] Cn1c(nnc1C1CC1)SCC(=O)N[C@@H](C1CC1)[*:1]
Cn1c(SCC(=O)N[C@@H](c2ccccc2)C2CC2)nnc1C1CC1 C1CC1[*:1] Cn1c(nnc1[*:1])SCC(=O)N[C@@H](c1ccccc1)C1CC1
Cn1c(SCC(=O)N[C@@H](c2ccccc2)C2CC2)nnc1C1CC1 C1CC1[*:1] Cn1c(nnc1C1CC1)SCC(=O)N[C@@H](c1ccccc1)[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2c(C)noc2C)cc1 CCO[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CCOc1ccc(cc1)[C@@H]1CCCN1C(=O)N[C@H](C)[*:1]
Cc1cc2cc(C(=O)Nc3cc(NC(=O)C(C)C)ccc3C)oc2cc1C CC(C)C(=O)N[*:1] Cc1cc2cc(oc2cc1C)C(=O)Nc1cc(ccc1C)[*:1]
Cc1cc2cc(C(=O)Nc3cc(NC(=O)C(C)C)ccc3C)oc2cc1C CC(C)[*:1] Cc1cc2cc(oc2cc1C)C(=O)Nc1cc(ccc1C)NC(=O)[*:1]
CC(C)(CO[N+](=O)[O-])C(=O)Cl O=C(Cl)[*:1] CC(C)(CO[N+](=O)[O-])[*:1]
COc1ccc(-c2nnc(NC(=O)Cc3ccccc3C)s2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)-c1nnc(NC(=O)C[*:1])s1
COc1ccc(-c2nnc(NC(=O)Cc3ccccc3C)s2)cc1 Cc1ccccc1C[*:1] COc1ccc(cc1)-c1nnc(NC(=O)[*:1])s1
COc1ccc(-c2nnc(NC(=O)Cc3ccccc3C)s2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1CC(=O)Nc1nnc(s1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCC1(O)CCSCC1 Fc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NCC1(O)CCSCC1
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCC1(O)CCSCC1 CC(C)[*:1] O=C(N[C@H](C(=O)NCC1(O)CCSCC1)[*:1])c1ccccc1F
C[C@@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)S(N)(=O)=O NS(=O)(=O)[*:1] C[C@@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)[*:1]
C[C@@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)S(N)(=O)=O C[C@@H](S(N)(=O)=O)[*:1] CC1(C)CCC(C)(C)c2cc(ccc21)[*:1]
CN(CC#N)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1 N#CC[*:1] CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1)[*:1]
COC[C@](C)(CCO)[NH2+]Cc1ccon1 c1cc(no1)[*:1] COC[C@](C)(CCO)[NH2+]C[*:1]
COC[C@](C)(CCO)[NH2+]Cc1ccon1 COC[*:1] C[C@](CCO)([NH2+]Cc1ccon1)[*:1]
COC[C@](C)(CCO)[NH2+]Cc1ccon1 OCC[*:1] COC[C@](C)([NH2+]Cc1ccon1)[*:1]
CC(C)CC[C@H](C)[NH2+]Cc1cc(C(N)=O)cs1 CC(C)[*:1] C[C@@H](CC[*:1])[NH2+]Cc1cc(cs1)C(N)=O
CC(C)CC[C@H](C)[NH2+]Cc1cc(C(N)=O)cs1 CC(C)C[*:1] C[C@@H](C[*:1])[NH2+]Cc1cc(cs1)C(N)=O
CC(C)CC[C@H](C)[NH2+]Cc1cc(C(N)=O)cs1 CC(C)CC[*:1] C[C@H]([NH2+]Cc1cc(cs1)C(N)=O)[*:1]
CC(C)CC[C@H](C)[NH2+]Cc1cc(C(N)=O)cs1 NC(=O)[*:1] CC(C)CC[C@H](C)[NH2+]Cc1cc(cs1)[*:1]
CN(CCc1cccs1)C(=O)c1cccc(CC#N)c1 N#CC[*:1] CN(CCc1cccs1)C(=O)c1cccc(c1)[*:1]
CN(CCc1cccs1)C(=O)c1cccc(CC#N)c1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)c1cccc(c1)CC#N
CN(CCc1cccs1)C(=O)c1cccc(CC#N)c1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)c1cccc(c1)CC#N
COC(=O)C1CC[NH+](Cc2nnc(-c3cccs3)o2)CC1 COC(=O)[*:1] c1csc(c1)-c1nnc(C[NH+]2CCC(CC2)[*:1])o1
COC(=O)C1CC[NH+](Cc2nnc(-c3cccs3)o2)CC1 c1csc(c1)[*:1] COC(=O)C1CC[NH+](CC1)Cc1nnc(o1)[*:1]
CCOC(=O)[C@H]1CCCN(c2ncnc(N(C)C)c2N)C1 CCOC(=O)[*:1] CN(C)c1ncnc(c1N)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(c2ncnc(N(C)C)c2N)C1 CN(C)[*:1] CCOC(=O)[C@H]1CCCN(C1)c1ncnc(c1N)[*:1]
O=C(Nc1ccc(-c2ncon2)cc1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 c1nc(no1)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
O=C(Nc1ccc(-c2ncon2)cc1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(Nc1ccc(cc1)-c1ncon1)N[C@@H]1CCCC[C@H]1[*:1]
O=C(Nc1ccc(-c2ncon2)cc1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1ccc(cc1)-c1ncon1)N[C@@H]1CCCC[C@@H]1O[*:1]
Cc1nc(C)c(C(=O)NC[C@H](O)c2c(F)cccc2F)s1 Cc1nc(C)c(s1)[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)[*:1]
CSc1ccc(/C=C/C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 CSc1ccc(cc1)[*:1] Cn1c(N)c(C(=O)COC(=O)C=C[*:1])c(=O)n(C)c1=O
Cn1ccnc1[C@@H](Nc1ncnc2c1cnn2C)c1cccc(F)c1 Cn1ccnc1[*:1] Cn1ncc2c(ncnc21)N[C@@H](c1cccc(F)c1)[*:1]
Cn1ccnc1[C@@H](Nc1ncnc2c1cnn2C)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1ccnc1[C@@H](Nc1ncnc2c1cnn2C)[*:1]
CCc1nn2c(=O)cc(COC(=O)C3(c4ccccc4)CCCC3)nc2s1 c1ccc(cc1)[*:1] CCc1nn2c(=O)cc(COC(=O)C3(CCCC3)[*:1])nc2s1
COC(=O)c1ccc(N/C(=N/c2cccc(SC)c2)[n+]2sc(C)cc2N)cc1 CSc1cccc(c1)[*:1] COC(=O)c1ccc(cc1)NC(=N[*:1])[n+]1sc(C)cc1N
COC(=O)c1ccc(N/C(=N/c2cccc(SC)c2)[n+]2sc(C)cc2N)cc1 COC(=O)[*:1] CSc1cccc(c1)/N=C(/Nc1ccc(cc1)[*:1])[n+]1sc(C)cc1N
O=C(CN(Cc1ccccc1)C[C@@H](O)c1cccs1)N1CCCC1 c1csc(c1)[*:1] O=C(CN(Cc1ccccc1)C[C@@H](O)[*:1])N1CCCC1
O=C(CN(Cc1ccccc1)C[C@@H](O)c1cccs1)N1CCCC1 c1ccc(cc1)C[*:1] O=C(CN(C[C@@H](O)c1cccs1)[*:1])N1CCCC1
O=C(CN(Cc1ccccc1)C[C@@H](O)c1cccs1)N1CCCC1 O=C(N1CCCC1)[*:1] O[C@H](CN(Cc1ccccc1)C[*:1])c1cccs1
O=C(CN(Cc1ccccc1)C[C@@H](O)c1cccs1)N1CCCC1 c1ccc(cc1)[*:1] O=C(CN(C[C@@H](O)c1cccs1)C[*:1])N1CCCC1
O=C(CN(Cc1ccccc1)C[C@@H](O)c1cccs1)N1CCCC1 O=C(C[*:1])N1CCCC1 O[C@H](CN(Cc1ccccc1)[*:1])c1cccs1
Cc1cccc(-n2c(C)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1C Cc1cccc(c1C)[*:1] Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)NC1CCC(C)(C)CC1 c1ccc(cc1)C[*:1] CN(C)C(=O)[C@H](NC(=O)NC1CCC(C)(C)CC1)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)NC1CCC(C)(C)CC1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](C[*:1])NC(=O)NC1CCC(C)(C)CC1
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)NC1CCC(C)(C)CC1 CN(C)C(=O)[*:1] CC1(C)CCC(CC1)NC(=O)N[C@@H](Cc1ccccc1)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)NC1CCC(C)(C)CC1 CC1(C)CCC(CC1)[*:1] CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[*:1]
Cc1n[nH]c(-c2ccc(C(=O)NCc3cccc4c3OCCO4)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(NCc1cccc2OCCOc12)c1ccc(cc1)[*:1]
COC[C@@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)C1CC1 COC[*:1] C1CCC(CC1)[C@H]1C[C@H]1[NH2+][C@@H](C1CC1)[*:1]
COC[C@@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)C1CC1 C1CC1[*:1] COC[C@@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)[*:1]
O=C(NCCn1c(-c2ccncc2)nc2cccnc21)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(NCCn1c(nc2cccnc21)-c1ccncc1)N[*:1]
O=C(NCCn1c(-c2ccncc2)nc2cccnc21)Nc1ccccc1Br c1cc(ccn1)[*:1] O=C(NCCn1c(nc2cccnc21)[*:1])Nc1ccccc1Br
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NNc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccc1)NNc1ccccc1[*:1]
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NNc1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])NNc1ccccc1[N+](=O)[O-]
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NNc1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccc1)NN[*:1]
CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccccc2F)NC(=O)N1 Fc1ccccc1[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1cccc(C)c1C)[*:1]
CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccccc2F)NC(=O)N1 Cc1cccc(c1C)[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1ccccc1F
CN(C[C@H]1N=NC2=C1CCCC2)C(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1 C(=C/c1ccccc1)\C[*:1] CN(C[C@H]1N=NC2CCCCC=21)C(=O)C[C@@H]1C(=O)NCCN1[*:1]
CN(C[C@H]1N=NC2=C1CCCC2)C(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1 c1ccc(cc1)[*:1] CN(C[C@H]1N=NC2CCCCC=21)C(=O)C[C@@H]1C(=O)NCCN1CC=C[*:1]
CN(C[C@H]1N=NC2=C1CCCC2)C(=O)C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 CN(C[C@H]1N=NC2CCCCC=21)C(=O)C[C@@H]1C(=O)NCCN1C[*:1]
CC(=O)c1cccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c1 CC(=O)[*:1] O=C(CSc1ncnc2nc(sc12)N1CCOCC1)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c1 CC(=O)c1cccc(c1)[*:1] O=C(CSc1ncnc2nc(sc12)N1CCOCC1)N[*:1]
CC(=O)c1cccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c1 C1CN(CCO1)[*:1] CC(=O)c1cccc(c1)NC(=O)CSc1ncnc2nc(sc12)[*:1]
CCc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(C)cc2)c1 Cc1ccc(cc1)CNC(=O)[*:1] CCc1cccc(c1)N1C(=O)c2cc(nn2C[C@@]1(C)[*:1])-c1ccco1
CCc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CCc1cccc(c1)N1C(=O)c2cc(nn2C[C@]1(C)C(=O)NC[*:1])-c1ccco1
CCc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(C)cc2)c1 CCc1cccc(c1)[*:1] Cc1ccc(cc1)CNC(=O)[C@@]1(C)Cn2nc(cc2C(=O)N1[*:1])-c1ccco1
CCc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(C)cc2)c1 c1coc(c1)[*:1] CCc1cccc(c1)N1C(=O)c2cc(nn2C[C@]1(C)C(=O)NCc1ccc(C)cc1)[*:1]
CCc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(C)cc2)c1 Cc1ccc(cc1)C[*:1] CCc1cccc(c1)N1C(=O)c2cc(nn2C[C@]1(C)C(=O)N[*:1])-c1ccco1
CCn1c(CNS(=O)(=O)c2cnn(C)c2C)nc2ccccc21 Cc1c(cnn1C)[*:1] CCn1c(CNS(=O)(=O)[*:1])nc2ccccc21
CC(C)Cn1ccnc(Nc2ccc(CN3CCCC3=O)cc2)c1=O O=C1CCCN1C[*:1] CC(C)Cn1ccnc(Nc2ccc(cc2)[*:1])c1=O
CC(C)Cn1ccnc(Nc2ccc(CN3CCCC3=O)cc2)c1=O CC(C)C[*:1] O=C1CCCN1Cc1ccc(cc1)Nc1nccn(c1=O)[*:1]
CC(C)Cn1ccnc(Nc2ccc(CN3CCCC3=O)cc2)c1=O CC(C)[*:1] O=C1CCCN1Cc1ccc(cc1)Nc1nccn(C[*:1])c1=O
CC(C)Cn1ccnc(Nc2ccc(CN3CCCC3=O)cc2)c1=O O=C1CCCN1[*:1] CC(C)Cn1ccnc(Nc2ccc(cc2)C[*:1])c1=O
COCc1cccc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)c1 Clc1ccccc1[*:1] COCc1cccc(c1)C(=O)N(C)[C@@H](C)[*:1]
COCc1cccc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)c1 COC[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cccc(c1)[*:1]
CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 CC[C@H](C)[*:1] C[C@H](C(=O)Nc1ccnn1[*:1])N1CCO[C@@H](C1)C[NH+](C)C
O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 Fc1ccccc1C[*:1] O=C(Cc1ccncc1)N1CCC[C@@H](C1)c1cccc(n1)[*:1]
O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 c1cc(ccn1)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1cccc(Cc2ccccc2F)n1
O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 c1cc(ccn1)C[*:1] O=C(N1CCC[C@@H](C1)c1cccc(Cc2ccccc2F)n1)[*:1]
O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 Fc1ccccc1[*:1] O=C(Cc1ccncc1)N1CCC[C@@H](C1)c1cccc(C[*:1])n1
CN(C)C(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 CN(C)C(=O)C[*:1] O=C(Nc1ccccc1[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)C(F)(F)F
CN(C)C(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 CN(C)C(=O)[*:1] O=C(Nc1ccccc1C[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)C(F)(F)F
CN(C)C(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
C[C@@H](NC(=O)[C@@]1(C)CCCS1)C(C)(C)C CC(C)(C)[*:1] C[C@@H](NC(=O)[C@@]1(C)CCCS1)[*:1]
Cc1ccc(CC(=O)N2CCc3cc(Br)sc3C2)o1 Cc1ccc(o1)[*:1] O=C(C[*:1])N1CCc2cc(Br)sc2C1
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@@H](C)[C@H](O)C2)c1 CC(C)[*:1] Cc1ccc(c(c1)O[C@H](C)C(=O)N1CC[C@@H](C)[C@H](O)C1)[*:1]
Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCC(N2CCOCC2)CC1 C1CN(CCO1)[*:1] Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCC(CC1)[*:1]
COCC[C@@H](C)C(=O)NCCc1c(Cl)cccc1Cl COC[*:1] C[C@H](C[*:1])C(=O)NCCc1c(Cl)cccc1Cl
COCC[C@@H](C)C(=O)NCCc1c(Cl)cccc1Cl COCC[*:1] C[C@@H](C(=O)NCCc1c(Cl)cccc1Cl)[*:1]
COCC[C@@H](C)C(=O)NCCc1c(Cl)cccc1Cl COCC[C@@H](C)[*:1] O=C(NCCc1c(Cl)cccc1Cl)[*:1]
CCSc1nc(=O)c2c3c(sc2[nH]1)C[NH+](Cc1ccccc1)CC3 c1ccc(cc1)C[*:1] CCSc1nc(=O)c2c3CC[NH+](Cc3sc2[nH]1)[*:1]
CCSc1nc(=O)c2c3c(sc2[nH]1)C[NH+](Cc1ccccc1)CC3 CCS[*:1] O=c1nc([nH]c2sc3C[NH+](CCc3c12)Cc1ccccc1)[*:1]
CCSc1nc(=O)c2c3c(sc2[nH]1)C[NH+](Cc1ccccc1)CC3 c1ccc(cc1)[*:1] CCSc1nc(=O)c2c3CC[NH+](Cc3sc2[nH]1)C[*:1]
C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCC[C@@H]1CO)c1ccccc1 C[C@H](c1ccccc1)[*:1] CC(C)(CNC(=O)N[C@H]1CCC[C@@H]1CO)[NH2+][*:1]
C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCC[C@@H]1CO)c1ccccc1 OC[C@H]1CCC[C@@H]1[*:1] C[C@H]([NH2+]C(C)(C)CNC(=O)N[*:1])c1ccccc1
C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCC[C@@H]1CO)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCC[C@@H]1CO)[*:1]
Cc1csc(COc2cccc(C[NH2+]C(C)C)c2)n1 Cc1csc(n1)[*:1] CC(C)[NH2+]Cc1cccc(c1)OC[*:1]
Cc1csc(COc2cccc(C[NH2+]C(C)C)c2)n1 CC(C)[*:1] Cc1csc(COc2cccc(c2)C[NH2+][*:1])n1
O=S(=O)(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(Cl)ccc1Cl Fc1ccc(cc1)C[*:1] O=S(=O)(Nc1cnn(c1)[*:1])c1cc(Cl)ccc1Cl
O=S(=O)(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=S(=O)(Nc1cnn(c1)Cc1ccc(F)cc1)[*:1]
O=S(=O)(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(Cl)ccc1Cl Fc1ccc(cc1)[*:1] O=S(=O)(Nc1cnn(c1)C[*:1])c1cc(Cl)ccc1Cl
COc1cccc(NC(=O)COc2cccc(NC(C)=O)c2)c1 CC(=O)N[*:1] COc1cccc(c1)NC(=O)COc1cccc(c1)[*:1]
CCC[C@H](C)N1CC2(CCN(C(=O)c3ccnc(OC)c3)CC2)OC1=O CCC[*:1] COc1cc(ccn1)C(=O)N1CCC2(CC1)CN(C(=O)O2)[C@@H](C)[*:1]
CCC[C@H](C)N1CC2(CCN(C(=O)c3ccnc(OC)c3)CC2)OC1=O COc1cc(ccn1)[*:1] CCC[C@H](C)N1CC2(CCN(CC2)C(=O)[*:1])OC1=O
CC(C)CCN1N[C@H](C2=NC(=O)C3=C4CCCC[C@@H]4SC3=N2)c2ccccc2C1=O CC(C)CC[*:1] O=C1N=C(N=C2S[C@H]3CCCCC3=C12)[C@H]1NN(C(=O)c2ccccc21)[*:1]
CC(C)CCN1N[C@H](C2=NC(=O)C3=C4CCCC[C@@H]4SC3=N2)c2ccccc2C1=O CC(C)[*:1] O=C1N=C(N=C2S[C@H]3CCCCC3=C12)[C@H]1NN(CC[*:1])C(=O)c2ccccc21
CC(C)CCN1N[C@H](C2=NC(=O)C3=C4CCCC[C@@H]4SC3=N2)c2ccccc2C1=O CC(C)C[*:1] O=C1N=C(N=C2S[C@H]3CCCCC3=C12)[C@H]1NN(C[*:1])C(=O)c2ccccc21
CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1F)N(C(C)=O)c1ccccc1-2 CCS[*:1] CC(=O)N1c2ccccc2-c2nnc(nc2O[C@@H]1c1ccc(F)cc1F)[*:1]
CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1F)N(C(C)=O)c1ccccc1-2 Fc1ccc(c(F)c1)[*:1] CCSc1nnc2-c3ccccc3N(C(C)=O)[C@@H](Oc2n1)[*:1]
COc1cccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1OC Fc1cc(Cl)ccc1[*:1] COc1cccc(CN2CCN(CC2)C(=O)[*:1])c1OC
C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)C[C@@H]1CCCC[NH2+]1 c1cc(cs1)C[*:1] C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+][C@H](C)[*:1]
C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)C[C@@H]1CCCC[NH2+]1 c1cc(cs1)[*:1] C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+][C@@H](C)C[*:1]
CC[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1 c1csc(c1)[*:1] CC[NH+](CCC(=O)Nc1sc2CCCc2c1C#N)C[*:1]
CC[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccs1 c1csc(c1)C[*:1] CC[NH+](CCC(=O)Nc1sc2CCCc2c1C#N)[*:1]
NNc1cc(CSc2ncn[nH]2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] NNc1cc(ccc1[*:1])CSc1ncn[nH]1
NNc1cc(CSc2ncn[nH]2)ccc1[N+](=O)[O-] c1n[nH]c(n1)S[*:1] NNc1cc(ccc1[N+](=O)[O-])C[*:1]
NNc1cc(CSc2ncn[nH]2)ccc1[N+](=O)[O-] c1n[nH]c(n1)[*:1] NNc1cc(ccc1[N+](=O)[O-])CS[*:1]
Cc1onc(-c2cnn(C)c2C)c1C(=O)[O-] O=C([O-])[*:1] Cc1onc(-c2cnn(C)c2C)c1[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N(C)C)CC2)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC[C@@H](N(C)C)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N(C)C)CC2)c(C)c1 CN(C)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC[C@@H](c1cccs1)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N(C)C)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(C)[C@@H](CNC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1cccs1
Cc1sc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)nc1-c1ccc2c(c1)OCCO2 CC(C)[*:1] Cc1sc(nc1-c1ccc2OCCOc2c1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccsc1/C=C(/C#N)C(N)=O NC(=O)[*:1] Cc1ccsc1C=C(C#N)[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1CC(=O)[O-] O=C([O-])C[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1CC(=O)[O-] O=C([O-])[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C[*:1]
CNC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1 CNC(=O)[*:1] COc1ccc(cc1)O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CNC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1 COc1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)NC(=O)[C@@H](C)O[*:1]
COc1cc(OC)c2[nH]c(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2c1 c1cc2OCOc2cc1[*:1] COc1cc(OC)c2[nH]c(cc2c1)C(=O)O[C@@H](C)C(=O)N[*:1]
Cc1ccc(CN(C(=O)OCCO)C(C)C)o1 CC(C)[*:1] Cc1ccc(CN(C(=O)OCCO)[*:1])o1
Cc1ccc(CN(C(=O)OCCO)C(C)C)o1 OCC[*:1] Cc1ccc(CN(C(=O)O[*:1])C(C)C)o1
COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2cccs2)C3)cc1OC c1csc(c1)C[*:1] COc1ccc(cc1OC)[C@H]1NC(=O)NC2CN(C(=O)C=21)[*:1]
COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2cccs2)C3)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)[C@H]1NC(=O)NC2CN(C[*:1])C(=O)C=21
C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CCC1 C1CC(C1)[*:1] C[C@@H](CC[NH+]1CCN(CC1)c1ccccc1)NC(=O)[*:1]
C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CCC1 O=C(N[*:1])C1CCC1 C[C@@H](CC[NH+]1CCN(CC1)c1ccccc1)[*:1]
C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1CCC1 c1ccc(cc1)[*:1] C[C@@H](CC[NH+]1CCN(CC1)[*:1])NC(=O)C1CCC1
CC[NH+](Cc1cccc(O)c1)Cc1ccccn1 c1ccc(nc1)[*:1] CC[NH+](Cc1cccc(O)c1)C[*:1]
O=C([O-])c1sccc1NS(=O)(=O)N1CCCC1 O=C([O-])[*:1] O=S(=O)(Nc1ccsc1[*:1])N1CCCC1
CCCCN(C)C(=O)Cn1c(CO)nc2cc(C)c(C)cc21 CCC[*:1] Cc1cc2nc(CO)n(CC(=O)N(C)C[*:1])c2cc1C
CCCCN(C)C(=O)Cn1c(CO)nc2cc(C)c(C)cc21 CCCC[*:1] Cc1cc2nc(CO)n(CC(=O)N(C)[*:1])c2cc1C
CCC(CC)C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 CCC(CC)[*:1] C[C@H](OC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
CCC(CC)C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCC(CC)C(=O)O[C@@H](C)c1ccc(cc1)[*:1]
CCc1nn(C)c(CC)c1CN1CCC[C@@H](c2nnc3n2CCC3)C1 C1Cc2nnc(n2C1)[*:1] CCc1nn(C)c(CC)c1CN1CCC[C@@H](C1)[*:1]
Cc1ccc(Cl)cc1-n1c(C)c(C)c2c(=O)n(CCC(=O)N3CCCCCC3)cnc21 O=C(N1CCCCCC1)[*:1] Cc1ccc(Cl)cc1-n1c(C)c(C)c2c(=O)n(cnc21)CC[*:1]
Cc1ccc(Cl)cc1-n1c(C)c(C)c2c(=O)n(CCC(=O)N3CCCCCC3)cnc21 Cc1ccc(Cl)cc1[*:1] Cc1c(C)n(c2ncn(CCC(=O)N3CCCCCC3)c(=O)c12)[*:1]
Cc1ccc(Cl)cc1-n1c(C)c(C)c2c(=O)n(CCC(=O)N3CCCCCC3)cnc21 O=C(C[*:1])N1CCCCCC1 Cc1ccc(Cl)cc1-n1c(C)c(C)c2c(=O)n(cnc21)C[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ncccc2O)cc1 Oc1cccnc1[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ncccc2O)cc1 CC(C)NS(=O)(=O)[*:1] O=C(Nc1ncccc1O)c1ccc(cc1)[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ncccc2O)cc1 CC(C)[*:1] O=C(Nc1ncccc1O)c1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)n1ccc(C[C@@H](C(=O)[O-])c2cccc(Cl)c2)n1 CC(C)[*:1] O=C([O-])[C@H](Cc1ccn(n1)[*:1])c1cccc(Cl)c1
CC(C)n1ccc(C[C@@H](C(=O)[O-])c2cccc(Cl)c2)n1 O=C([O-])[*:1] CC(C)n1ccc(C[C@@H](c2cccc(Cl)c2)[*:1])n1
CC(C)[C@H](O)c1ccn(Cc2ccnc(C#N)c2)c1 CC(C)[C@H](O)[*:1] N#Cc1cc(ccn1)Cn1ccc(c1)[*:1]
CC(C)[C@H](O)c1ccn(Cc2ccnc(C#N)c2)c1 CC(C)[*:1] N#Cc1cc(ccn1)Cn1ccc(c1)[C@@H](O)[*:1]
Cc1cc2nc(N(C[C@H]3CCCO3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)sc2cc1C C1CO[C@H](C1)[*:1] Cc1cc2nc(sc2cc1C)N(C[*:1])C(=O)[C@H]1CCCN(C1)S(C)(=O)=O
Cc1cc2nc(N(C[C@H]3CCCO3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)sc2cc1C C1CO[C@H](C1)C[*:1] Cc1cc2nc(sc2cc1C)N(C(=O)[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
Cc1cc2nc(N(C[C@H]3CCCO3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)sc2cc1C CS(=O)(=O)N1CCC[C@@H](C1)[*:1] Cc1cc2nc(sc2cc1C)N(C[C@H]1CCCO1)C(=O)[*:1]
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@H]1C[NH3+] O=C([O-])[*:1] CO/N=C1\CN(C[C@H]1C[NH3+])c1nc2c(cc1F)c(=O)c(cn2C1CC1)[*:1]
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C[C@H]1C[NH3+] C1CC1[*:1] CO/N=C1\CN(C[C@H]1C[NH3+])c1nc2c(cc1F)c(=O)c(cn2[*:1])C(=O)[O-]
NC(=O)c1cccc(CNC(=O)CSc2nc3ccccc3o2)c1 NC(=O)[*:1] O=C(CSc1nc2ccccc2o1)NCc1cccc(c1)[*:1]
C=CCN(CC(=O)[O-])C(=O)[C@@H]1Oc2ccccc2O[C@H]1C O=C([O-])[*:1] C=CCN(C[*:1])C(=O)[C@@H]1Oc2ccccc2O[C@H]1C
C=CCN(CC(=O)[O-])C(=O)[C@@H]1Oc2ccccc2O[C@H]1C O=C([O-])C[*:1] C=CCN(C(=O)[C@@H]1Oc2ccccc2O[C@H]1C)[*:1]
C=CCN(CC(=O)[O-])C(=O)[C@@H]1Oc2ccccc2O[C@H]1C C=CC[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(CC(=O)[O-])[*:1]
COCCCNC(=O)N1CCC[C@H]1c1ccccc1Cl COC[*:1] O=C(NCC[*:1])N1CCC[C@H]1c1ccccc1Cl
COCCCNC(=O)N1CCC[C@H]1c1ccccc1Cl COCC[*:1] O=C(NC[*:1])N1CCC[C@H]1c1ccccc1Cl
COCCCNC(=O)N1CCC[C@H]1c1ccccc1Cl COCCC[*:1] O=C(N[*:1])N1CCC[C@H]1c1ccccc1Cl
Cc1c(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)cnn1-c1ccncc1 NC(=O)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CC[C@H](c2ccccc21)[*:1]
Cc1c(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CC[C@H](C(N)=O)c2ccccc21
CCNC(=O)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)[*:1] CCNC(=O)Nc1cccc(c1)OC[*:1]
CCNC(=O)Nc1cccc(OCC(F)(F)F)c1 CCNC(=O)N[*:1] FC(F)(F)COc1cccc(c1)[*:1]
CCNC(=O)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)C[*:1] CCNC(=O)Nc1cccc(c1)O[*:1]
CCNC(=O)Nc1cccc(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] CCNC(=O)Nc1cccc(c1)[*:1]
Cc1[nH]nc(CCC(=O)N2CCc3ncnc(NCCO)c3CC2)c1C Cc1[nH]nc(C[*:1])c1C O=C(C[*:1])N1CCc2ncnc(NCCO)c2CC1
Cc1[nH]nc(CCC(=O)N2CCc3ncnc(NCCO)c3CC2)c1C Cc1[nH]nc(c1C)[*:1] O=C(CC[*:1])N1CCc2ncnc(NCCO)c2CC1
Cc1[nH]nc(CCC(=O)N2CCc3ncnc(NCCO)c3CC2)c1C OCCN[*:1] Cc1[nH]nc(CCC(=O)N2CCc3ncnc(c3CC2)[*:1])c1C
Cc1[nH]nc(CCC(=O)N2CCc3ncnc(NCCO)c3CC2)c1C OCC[*:1] Cc1[nH]nc(CCC(=O)N2CCc3ncnc(N[*:1])c3CC2)c1C
C[C@@H](CCO)N(Cc1ccccc1)Cc1nccs1 c1csc(n1)[*:1] C[C@@H](CCO)N(Cc1ccccc1)C[*:1]
C[C@@H](CCO)N(Cc1ccccc1)Cc1nccs1 c1ccc(cc1)[*:1] C[C@@H](CCO)N(Cc1nccs1)C[*:1]
C[C@@H](CCO)N(Cc1ccccc1)Cc1nccs1 c1csc(C[*:1])n1 C[C@@H](CCO)N(Cc1ccccc1)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)Cc1nccs1 OCC[*:1] C[C@@H](N(Cc1ccccc1)Cc1nccs1)[*:1]
CCOCc1ccc2c(c1)C(O)=C([O-])C(=C1C=CC(=[N+]3CC[NH+](C)CC3)C=C1)O2 CCOC[*:1] C[NH+]1CC[N+](CC1)=C1C=CC(C=C1)=C1Oc2ccc(cc2C(O)=C1[O-])[*:1]
CCOCc1ccc2c(c1)C(O)=C([O-])C(=C1C=CC(=[N+]3CC[NH+](C)CC3)C=C1)O2 CCO[*:1] C[NH+]1CC[N+](CC1)=C1C=CC(C=C1)=C1Oc2ccc(cc2C(O)=C1[O-])C[*:1]
O=C1c2cccc3cccc(c23)C(=O)N1CCS(=O)(=O)OCC(F)(F)F FC(F)(F)[*:1] O=C1c2cccc3cccc(C(=O)N1CCS(=O)(=O)OC[*:1])c23
O=C1c2cccc3cccc(c23)C(=O)N1CCS(=O)(=O)OCC(F)(F)F FC(F)(F)C[*:1] O=C1c2cccc3cccc(C(=O)N1CCS(=O)(=O)O[*:1])c23
CN(Cc1[nH+]ccn1CC(F)(F)F)[C@@H]1CCC[C@@H]1S(C)(=O)=O FC(F)(F)[*:1] CN(Cc1[nH+]ccn1C[*:1])[C@@H]1CCC[C@@H]1S(C)(=O)=O
CN(Cc1[nH+]ccn1CC(F)(F)F)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(Cc1[nH+]ccn1CC(F)(F)F)[C@@H]1CCC[C@H]1[*:1]
CN(Cc1[nH+]ccn1CC(F)(F)F)[C@@H]1CCC[C@@H]1S(C)(=O)=O FC(F)(F)C[*:1] CN(Cc1[nH+]ccn1[*:1])[C@@H]1CCC[C@@H]1S(C)(=O)=O
C/C(=C\c1ccccc1OC(F)(F)F)CCl FC(F)(F)O[*:1] C/C(=C\c1ccccc1[*:1])CCl
C/C(=C\c1ccccc1OC(F)(F)F)CCl FC(F)(F)[*:1] C/C(=C\c1ccccc1O[*:1])CCl
C/C(=C\c1ccccc1OC(F)(F)F)CCl CC(=C[*:1])CCl FC(F)(F)Oc1ccccc1[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1cccnc1 c1cncc(c1)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)Nc1ccccc1F
Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1cccnc1 Fc1ccccc1[*:1] Cc1ccc(cc1C(=O)Nc1cccnc1)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1cccnc1 O=C(Nc1cccnc1)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Nc1ccccc1F
CCC[C@H]1CC[C@@H]([NH2+]C)[C@H](Sc2cccc(F)c2)C1 CCC[*:1] C[NH2+][C@@H]1CC[C@@H](C[C@H]1Sc1cccc(F)c1)[*:1]
COc1nc2ccccc2cc1CN1CCNC(=O)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COc1nc2ccccc2cc1CN1CCNC(=O)C[C@H]1[*:1]
CCOc1ccc(Oc2ccc(C[NH2+]C)cc2F)cc1 CCO[*:1] C[NH2+]Cc1ccc(Oc2ccc(cc2)[*:1])c(F)c1
O=c1[nH]c2cc3c(cc2cc1CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)OCCO3 Clc1ccc(cc1)[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1CN(C1CCCCC1)S(=O)(=O)[*:1]
O=c1[nH]c2cc3c(cc2cc1CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)OCCO3 C1CCC(CC1)[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1CN(S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CC(C)CCNC(=O)NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 CC(C)CCNC(=O)N[*:1] O=C(Nc1ccc2OCOc2c1)c1nnc(C[*:1])s1
CC(C)CCNC(=O)NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 CC(C)C[*:1] O=C(NCc1nnc(s1)C(=O)Nc1ccc2OCOc2c1)NC[*:1]
CC(C)CCNC(=O)NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 CC(C)[*:1] O=C(NCC[*:1])NCc1nnc(s1)C(=O)Nc1ccc2OCOc2c1
CC(C)CCNC(=O)NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 c1cc2OCOc2cc1[*:1] CC(C)CCNC(=O)NCc1nnc(s1)C(=O)N[*:1]
CC(C)CCNC(=O)NCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 CC(C)CC[*:1] O=C(NCc1nnc(s1)C(=O)Nc1ccc2OCOc2c1)N[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2ccccc2c1)[*:1]
Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)C[*:1] Cc1ccc(cc1)C(=O)N[C@H](C)c1nc2ccccc2n1[*:1]
Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)C(=O)N[C@H](C)c1nc2ccccc2n1CC(=O)N[*:1]
Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(=O)NC(C)(C)C)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)NC(C)(C)C
Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)[*:1] Cc1ccc(cc1)C(=O)N[C@H](C)c1nc2ccccc2n1C[*:1]
O=C(Nc1ccccc1Cl)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1Cl)C1CN(C1)C(=O)c1ccc(o1)[*:1]
O=C(Nc1ccccc1Cl)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 Clc1ccccc1[*:1] O=C(N[*:1])C1CN(C1)C(=O)c1ccc(o1)[N+](=O)[O-]
O=C(Nc1ccccc1Cl)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(Nc1ccccc1Cl)C1CN(C1)C(=O)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1C Cc1cc(F)ccc1[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[*:1]
CCC[C@@H]([NH2+]C)c1ccc(-c2ccn(C)n2)s1 CCC[*:1] C[NH2+][C@@H](c1ccc(s1)-c1ccn(C)n1)[*:1]
C#Cc1cccc(NC(=O)C[NH+](C)CC(=O)NCc2ccco2)c1 c1coc(c1)[*:1] C#Cc1cccc(c1)NC(=O)C[NH+](C)CC(=O)NC[*:1]
C#Cc1cccc(NC(=O)C[NH+](C)CC(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] C#Cc1cccc(c1)NC(=O)C[NH+](C)CC(=O)N[*:1]
C#Cc1cccc(NC(=O)C[NH+](C)CC(=O)NCc2ccco2)c1 C#Cc1cccc(c1)[*:1] C[NH+](CC(=O)NCc1ccco1)CC(=O)N[*:1]
COc1cccc(OC)c1OCC(=O)N1CCC[C@@H]1c1nc(C)ncc1-c1ccncc1C COc1cccc(OC)c1O[*:1] Cc1ncc(-c2ccncc2C)c(n1)[C@H]1CCCN1C(=O)C[*:1]
COc1cccc(OC)c1OCC(=O)N1CCC[C@@H]1c1nc(C)ncc1-c1ccncc1C Cc1cnccc1[*:1] COc1cccc(OC)c1OCC(=O)N1CCC[C@@H]1c1nc(C)ncc1[*:1]
COc1cccc(OC)c1OCC(=O)N1CCC[C@@H]1c1nc(C)ncc1-c1ccncc1C COc1cccc(OC)c1[*:1] Cc1ncc(-c2ccncc2C)c(n1)[C@H]1CCCN1C(=O)CO[*:1]
Cc1nc(CNC(=O)c2cc3cc(F)ccc3o2)c(C)s1 Cc1nc(c(C)s1)[*:1] O=C(NC[*:1])c1cc2cc(F)ccc2o1
COc1ccccc1NC(=O)N(CC[NH+]1CCCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 COc1ccccc1[*:1] O=C(N[*:1])N(CC[NH+]1CCCC1)Cc1cc2cc3OCOc3cc2[nH]c1=O
O=C(NC[C@@H]1CCCN(C(=O)c2ccc3ncsc3c2)C1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(c1ccc2ncsc2c1)N1CCC[C@H](C1)C[*:1]
O=C(NC[C@@H]1CCCN(C(=O)c2ccc3ncsc3c2)C1)c1cccs1 c1csc(c1)[*:1] O=C(c1ccc2ncsc2c1)N1CCC[C@@H](CNC(=O)[*:1])C1
CCc1nc(CN/C(NCc2ccccn2)=[NH+]\C)cs1 c1ccc(nc1)[*:1] CCc1nc(cs1)CN/C(NC[*:1])=[NH+]\C
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3 COc1ccccc1[*:1] N#CC1=C(N)Oc2cc3OCOc3cc2[C@H]1[*:1]
CCCN(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=S1(=O)CC[C@@H](C1)N(Cc1csc(n1)-c1ccc(cc1)C(F)(F)F)[*:1]
CCCN(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] CCCN(Cc1csc(n1)-c1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
CC(=O)c1ccc(OC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 c1coc(c1)[*:1] CC(=O)c1ccc(cc1)OC(=O)c1ccc(C)c(c1)NC(=O)[*:1]
CC(=O)c1ccc(OC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 O=C(N[*:1])c1ccco1 CC(=O)c1ccc(cc1)OC(=O)c1ccc(C)c(c1)[*:1]
CC(=O)c1ccc(OC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)O[*:1]
CC(=O)c1ccc(OC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 CC(=O)[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)Oc1ccc(cc1)[*:1]
COC(=O)c1cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c[nH]1 O=[N+]([O-])[*:1] COC(=O)c1cc(c[nH]1)CN1CCc2c(cccc2[*:1])C1
COC(=O)c1cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c[nH]1 COC(=O)[*:1] O=[N+]([O-])c1cccc2CN(CCc21)Cc1c[nH]c(c1)[*:1]
CC(C)c1n[nH]c(S[C@@H](C)C(=O)N(C)c2ccccc2)n1 CC(C)[*:1] C[C@H](Sc1nc(n[nH]1)[*:1])C(=O)N(C)c1ccccc1
CC(C)c1n[nH]c(S[C@@H](C)C(=O)N(C)c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)c1n[nH]c(n1)S[C@@H](C)C(=O)N(C)[*:1]
COCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O NC(=O)[*:1] COCCCN1C(=O)[C@@H]2[C@H](CC[*:1])[NH2+][C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O
COCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O COC[*:1] NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CC[*:1])C(=O)[C@H]12
COCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O NC(=O)C[*:1] COCCCN1C(=O)[C@@H]2[C@H](C[*:1])[NH2+][C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O
COCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O COCCC[*:1] NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
COCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O COCC[*:1] NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
COCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O NC(=O)CC[*:1] COCCCN1C(=O)[C@@H]2[C@H]([NH2+][C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O)[*:1]
CCOC(=O)c1ccn(-c2ccc(NC(=O)N[C@@H](C)C(C)C)cc2)n1 CC(C)[*:1] CCOC(=O)c1ccn(n1)-c1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
CCOC(=O)c1ccn(-c2ccc(NC(=O)N[C@@H](C)C(C)C)cc2)n1 CCOC(=O)[*:1] CC(C)[C@H](C)NC(=O)Nc1ccc(cc1)-n1ccc(n1)[*:1]
COc1ccc2c(c1)[C@](CO)([NH2+]C1CCCCCC1)CC2 C1CCCC(CC1)[*:1] COc1ccc2CC[C@@](CO)([NH2+][*:1])c2c1
O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccncc1 c1cc(ccn1)[*:1] O=C(NC(=S)NNC(=O)[*:1])c1cc(ccc1Br)[N+](=O)[O-]
O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccncc1 O=[N+]([O-])[*:1] O=C(NNC(=S)NC(=O)c1cc(ccc1Br)[*:1])c1ccncc1
C[C@@H]1CCCN(C(=O)Nc2ccccc2SCC(N)=O)CC1 NC(=O)[*:1] C[C@@H]1CCCN(CC1)C(=O)Nc1ccccc1SC[*:1]
C[C@@H]1CCCN(C(=O)Nc2ccccc2SCC(N)=O)CC1 NC(=O)C[*:1] C[C@@H]1CCCN(CC1)C(=O)Nc1ccccc1S[*:1]
C[C@@H]1CCCN(C(=O)Nc2ccccc2SCC(N)=O)CC1 NC(=O)CS[*:1] C[C@@H]1CCCN(CC1)C(=O)Nc1ccccc1[*:1]
CC(C)n1ncc2cc(/C=C/C(=O)N3CCCC[C@@H]3C)c(=O)[nH]c21 CC(C)[*:1] C[C@H]1CCCCN1C(=O)/C=C/c1cc2cnn(c2[nH]c1=O)[*:1]
Cc1nc(CN2CCN(Cc3nnc(-c4ccco4)o3)CC2)cs1 c1coc(c1)[*:1] Cc1nc(cs1)CN1CCN(CC1)Cc1nnc(o1)[*:1]
Cc1nc(CN2CCN(Cc3nnc(-c4ccco4)o3)CC2)cs1 Cc1nc(cs1)[*:1] c1coc(c1)-c1nnc(CN2CCN(CC2)C[*:1])o1
Cc1nc(CN2CCN(Cc3nnc(-c4ccco4)o3)CC2)cs1 Cc1nc(cs1)C[*:1] c1coc(c1)-c1nnc(CN2CCN(CC2)[*:1])o1
C[C@H](NCc1cnc(-c2cccnc2)s1)[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NCc1cnc(s1)-c1cccnc1)[C@H](O)[*:1]
C[C@H](NCc1cnc(-c2cccnc2)s1)[C@H](O)c1ccc(Cl)cc1 c1cncc(c1)[*:1] C[C@H](NCc1cnc(s1)[*:1])[C@H](O)c1ccc(Cl)cc1
CCN(CC)C(=O)c1cnc([C@@H]2CCN(C(=O)c3cccc(-n4cccn4)c3)C2)nc1C CCN(CC)C(=O)[*:1] Cc1nc(ncc1[*:1])[C@@H]1CCN(C1)C(=O)c1cccc(c1)-n1cccn1
CCN(CC)C(=O)c1cnc([C@@H]2CCN(C(=O)c3cccc(-n4cccn4)c3)C2)nc1C c1cnn(c1)[*:1] CCN(CC)C(=O)c1cnc(nc1C)[C@@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
COCCNC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] COCC[*:1] O=C(N[C@H]1CCCCC[C@@H]1C(=O)[O-])N[*:1]
COCCNC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] COC[*:1] O=C(NC[*:1])N[C@H]1CCCCC[C@@H]1C(=O)[O-]
COCCNC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] COCCNC(=O)N[C@H]1CCCCC[C@H]1[*:1]
CCn1cc(CN2C[C@@H](c3cccnc3)[C@@]3(COCCC(=O)N3)C2)c2ccc(F)cc21 c1cncc(c1)[*:1] CCn1cc(CN2C[C@@H]([C@@]3(COCCC(=O)N3)C2)[*:1])c2ccc(F)cc21
Cc1ccccc1C[C@@H](C)NC(=O)CCl O=C(CCl)N[*:1] Cc1ccccc1C[C@@H](C)[*:1]
Cc1nc(CC(C)C)sc1/C([O-])=N/S(=O)(=O)C[C@@H]1CCCCO1 CC(C)C[*:1] Cc1nc(sc1/C([O-])=N/S(=O)(=O)C[C@@H]1CCCCO1)[*:1]
Cc1nc(CC(C)C)sc1/C([O-])=N/S(=O)(=O)C[C@@H]1CCCCO1 CC(C)[*:1] Cc1nc(C[*:1])sc1/C([O-])=N/S(=O)(=O)C[C@@H]1CCCCO1
Cc1nc(CC(C)C)sc1/C([O-])=N/S(=O)(=O)C[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] Cc1nc(CC(C)C)sc1/C([O-])=N/S(=O)(=O)C[*:1]
Cc1nc(CC(C)C)sc1/C([O-])=N/S(=O)(=O)C[C@@H]1CCCCO1 C1CC[C@@H](C[*:1])OC1 Cc1nc(CC(C)C)sc1/C([O-])=N/S(=O)(=O)[*:1]
CNC(=O)c1cc(NC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1Cl CNC(=O)[*:1] C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Nc1ccc(Cl)c(c1)[*:1]
CNC(=O)c1cc(NC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1Cl c1ccc(cc1)[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)N[C@@H](C)CC(C)(C)[*:1]
CNC(=O)c1cc(NC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1Cl CC(C)(c1ccccc1)[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)N[C@@H](C)C[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 c1csc(c1)[*:1] COc1ccc(cc1NC(=O)[C@@H]1CCCN1C(=O)[*:1])[N+](=O)[O-]
CCC[C@H](C)N1CC2(CCN(C(=O)C3CCOCC3)CC2)OC1=O C1CC(CCO1)[*:1] CCC[C@H](C)N1CC2(CCN(CC2)C(=O)[*:1])OC1=O
CCC[C@H](C)N1CC2(CCN(C(=O)C3CCOCC3)CC2)OC1=O CCC[*:1] C[C@H](N1CC2(CCN(CC2)C(=O)C2CCOCC2)OC1=O)[*:1]
CCC[C@H](C)N1CC2(CCN(C(=O)C3CCOCC3)CC2)OC1=O CCC[C@H](C)[*:1] O=C(C1CCOCC1)N1CCC2(CC1)CN(C(=O)O2)[*:1]
CC(C)[C@H]1C[C@@]2(CCO1)C[NH+]=C(N)N2C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC(C)[C@H]1C[C@@]2(CCO1)C[NH+]=C(N)N2[*:1]
CC(C)[C@H]1C[C@@]2(CCO1)C[NH+]=C(N)N2C[C@@H]1CCCO1 CC(C)[*:1] NC1=[NH+]C[C@@]2(CCO[C@H](C2)[*:1])N1C[C@@H]1CCCO1
CC(C)[C@H]1C[C@@]2(CCO1)C[NH+]=C(N)N2C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(C)[C@H]1C[C@@]2(CCO1)C[NH+]=C(N)N2C[*:1]
C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)N[C@](C)(c2ccccc2Br)C1=O c1cc2OCOc2cc1[*:1] C[C@H](C(=O)NC[*:1])N1C(=O)N[C@@](C)(C1=O)c1ccccc1Br
C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)N[C@](C)(c2ccccc2Br)C1=O c1cc2OCOc2cc1C[*:1] C[C@H](C(=O)N[*:1])N1C(=O)N[C@@](C)(C1=O)c1ccccc1Br
C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)N[C@](C)(c2ccccc2Br)C1=O Brc1ccccc1[*:1] C[C@H](C(=O)NCc1ccc2OCOc2c1)N1C(=O)N[C@](C)(C1=O)[*:1]
Cc1ccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c(C)c1 O=C(N1CCCC1)[*:1] Cc1ccc(NC(=O)CNc2ccc(cc2)[*:1])c(C)c1
Cc1ccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CNc1ccc(cc1)C(=O)N1CCCC1)N[*:1]
O=C(CN(C1CCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 Brc1ccc(cc1)[*:1] O=C(CN(C1CCCC1)S(=O)(=O)[*:1])N1CC[NH2+]CC1
O=C(CN(C1CCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 C1CCC(C1)[*:1] O=C(CN(S(=O)(=O)c1ccc(Br)cc1)[*:1])N1CC[NH2+]CC1
C#CCNCC(=O)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)[*:1] C#CCNCC(=O)N1CCN(CC1)C[*:1]
C#CCNCC(=O)N1CCN(Cc2ccsc2)CC1 C#CC[*:1] O=C(CN[*:1])N1CCN(CC1)Cc1ccsc1
C#CCNCC(=O)N1CCN(Cc2ccsc2)CC1 C#CCNC[*:1] O=C(N1CCN(CC1)Cc1ccsc1)[*:1]
C#CCNCC(=O)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)C[*:1] C#CCNCC(=O)N1CCN(CC1)[*:1]
C#CCNCC(=O)N1CCN(Cc2ccsc2)CC1 C#CCN[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccsc1
O=C(NCCc1ccccn1)c1ccc(COc2ccc3ccccc3c2)o1 c1ccc(C[*:1])nc1 O=C(NC[*:1])c1ccc(COc2ccc3ccccc3c2)o1
O=C(NCCc1ccccn1)c1ccc(COc2ccc3ccccc3c2)o1 c1ccc(nc1)[*:1] O=C(NCC[*:1])c1ccc(COc2ccc3ccccc3c2)o1
O=C(NCCc1ccccn1)c1ccc(COc2ccc3ccccc3c2)o1 c1ccc(CC[*:1])nc1 O=C(N[*:1])c1ccc(COc2ccc3ccccc3c2)o1
C[C@@H]1CC(C(=O)Nc2ccc(CC(N)=O)cc2)C[C@@H](C)O1 NC(=O)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccc(cc1)C[*:1]
C[C@@H]1CC(C(=O)Nc2ccc(CC(N)=O)cc2)C[C@@H](C)O1 NC(=O)C[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccc(cc1)[*:1]
Clc1ccc(OCC2=NN3C(=NN[C@@H]3[C@@H]3C=C(c4ccccc4)N=N3)S2)cc1 Clc1ccc(cc1)OC[*:1] C1=C(N=N[C@@H]1[C@H]1NN=C2SC(=NN21)[*:1])c1ccccc1
Clc1ccc(OCC2=NN3C(=NN[C@@H]3[C@@H]3C=C(c4ccccc4)N=N3)S2)cc1 c1ccc(cc1)[*:1] Clc1ccc(cc1)OCC1=NN2C(=NN[C@@H]2[C@@H]2C=C(N=N2)[*:1])S1
Clc1ccc(OCC2=NN3C(=NN[C@@H]3[C@@H]3C=C(c4ccccc4)N=N3)S2)cc1 Clc1ccc(cc1)O[*:1] C1=C(N=N[C@@H]1[C@H]1NN=C2SC(C[*:1])=NN21)c1ccccc1
Clc1ccc(OCC2=NN3C(=NN[C@@H]3[C@@H]3C=C(c4ccccc4)N=N3)S2)cc1 Clc1ccc(cc1)[*:1] C1=C(N=N[C@@H]1[C@H]1NN=C2SC(CO[*:1])=NN21)c1ccccc1
CCCN(C(=O)C1CCN(S(=O)(=O)CC)CC1)[C@H]1CCCC[C@@H]1O CCC[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)N([C@H]1CCCC[C@@H]1O)[*:1]
COc1c(CNc2cnn(CC(F)F)c2)c(C)nn1C FC(F)[*:1] COc1c(CNc2cnn(c2)C[*:1])c(C)nn1C
COc1c(CNc2cnn(CC(F)F)c2)c(C)nn1C FC(F)C[*:1] COc1c(CNc2cnn(c2)[*:1])c(C)nn1C
C[C@@H](C(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)NCc1ccnc(c1)OCc1ccccc1)[*:1]
C[C@@H](C(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccsc1 c1ccc(cc1)CO[*:1] C[C@@H](C(=O)NCc1ccnc(c1)[*:1])c1ccsc1
C[C@@H](C(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccsc1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)NCc1ccnc(c1)O[*:1])c1ccsc1
C[C@@H](C(=O)NCc1ccnc(OCc2ccccc2)c1)c1ccsc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NCc1ccnc(c1)OC[*:1])c1ccsc1
CCn1c([C@@H]2CCC[NH2+]C2)nn(C/C=C/c2ccccc2)c1=O c1ccc(cc1)[*:1] CCn1c(nn(CC=C[*:1])c1=O)[C@@H]1CCC[NH2+]C1
C[C@@H](CNC(=O)NC[C@@H](O)c1ccco1)c1ccsc1 c1coc(c1)[*:1] C[C@@H](CNC(=O)NC[C@@H](O)[*:1])c1ccsc1
C[C@@H](CNC(=O)NC[C@@H](O)c1ccco1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)NC[C@@H](O)c1ccco1)[*:1]
N#Cc1ccc(Cl)c(NC(=O)NCCOCc2ccccc2)c1 c1ccc(cc1)C[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NCCO[*:1]
N#Cc1ccc(Cl)c(NC(=O)NCCOCc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NCCOC[*:1]
COc1ccc(CN(C(=O)c2ccc(-n3cncn3)cc2)[C@@H]2CCCC[C@H]2C)cc1OC c1ncn(n1)[*:1] COc1ccc(cc1OC)CN(C(=O)c1ccc(cc1)[*:1])[C@@H]1CCCC[C@H]1C
COc1ccc(CN(C(=O)c2ccc(-n3cncn3)cc2)[C@@H]2CCCC[C@H]2C)cc1OC COc1ccc(cc1OC)[*:1] C[C@@H]1CCCC[C@H]1N(C[*:1])C(=O)c1ccc(cc1)-n1cncn1
CCN(C1CCN(C(=O)[C@H](c2ccccc2)N2CCCC2)CC1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] O=C([C@H](c1ccccc1)N1CCCC1)N1CCC(CC1)[*:1]
CCN(C1CCN(C(=O)[C@H](c2ccccc2)N2CCCC2)CC1)S(C)(=O)=O c1ccc(cc1)[*:1] CCN(C1CCN(CC1)C(=O)[C@H](N1CCCC1)[*:1])S(C)(=O)=O
CCN(C1CCN(C(=O)[C@H](c2ccccc2)N2CCCC2)CC1)S(C)(=O)=O C1CCN(C1)[*:1] CCN(C1CCN(CC1)C(=O)[C@H](c1ccccc1)[*:1])S(C)(=O)=O
CC(C)C[NH+](C)CC(=O)Nc1ccc(Cl)cc1N CC(C)[*:1] C[NH+](CC(=O)Nc1ccc(Cl)cc1N)C[*:1]
CC(C)C[NH+](C)CC(=O)Nc1ccc(Cl)cc1N CC(C)C[*:1] C[NH+](CC(=O)Nc1ccc(Cl)cc1N)[*:1]
O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1c(F)cccc1F O=C(c1ccc(F)cc1)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1c(F)cccc1F
O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1c(F)cccc1F Fc1ccc(cc1)[*:1] O=C(COc1ccc(cc1)C(=O)[*:1])Nc1c(F)cccc1F
O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(COc1ccc(cc1)C(=O)c1ccc(F)cc1)N[*:1]
CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1OC(C)(C)C)c1ccccn1 CC(C)(C)O[*:1] CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1OC(C)(C)C)c1ccccn1 CC(C)(C)[*:1] CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1O[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1OC(C)(C)C)c1ccccn1 CC(C)[*:1] CC(C)(C)Oc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccn1)[*:1]
CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1OC(C)(C)C)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1OC(C)(C)C)[*:1]
Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC2(CC1)C[NH2+][C@@H](C(=O)[O-])C2 O=C([O-])[*:1] Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC2(CC1)C[NH2+][C@@H](C2)[*:1]
O=c1/c(=C/c2c[nH]nc2-c2ccccc2)sc2nc(-c3ccccc3)nn12 c1ccc(cc1)[*:1] O=c1/c(=C/c2c[nH]nc2-c2ccccc2)sc2nc(nn12)[*:1]
O=c1/c(=C/c2c[nH]nc2-c2ccccc2)sc2nc(-c3ccccc3)nn12 c1ccc(cc1)[*:1] O=c1/c(=C/c2c[nH]nc2[*:1])sc2nc(nn12)-c1ccccc1
CCCc1nc(C)c(C(=O)NNc2cc(C#N)cc(Cl)n2)s1 CCC[*:1] Cc1nc(sc1C(=O)NNc1cc(C#N)cc(Cl)n1)[*:1]
[NH3+]CCN1C(=O)S/C(=C/c2cccc(C3CC3)c2)C1=O C1CC1[*:1] [NH3+]CCN1C(=O)S/C(=C/c2cccc(c2)[*:1])C1=O
[NH3+]CCN1C(=O)S/C(=C/c2cccc(C3CC3)c2)C1=O [NH3+]CC[*:1] O=C1S/C(=C/c2cccc(c2)C2CC2)C(=O)N1[*:1]
CC(C)(C)C(=O)N1CCC([NH2+]CC2(O)CCCCCC2)CC1 CC(C)(C)[*:1] O=C(N1CCC(CC1)[NH2+]CC1(O)CCCCCC1)[*:1]
CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(CC[NH3+])CC1 [NH3+]CC[*:1] CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(CC1)[*:1]
COCCNC(=O)CNC(=O)c1ccncc1Cl COCC[*:1] O=C(CNC(=O)c1ccncc1Cl)N[*:1]
COCCNC(=O)CNC(=O)c1ccncc1Cl COC[*:1] O=C(CNC(=O)c1ccncc1Cl)NC[*:1]
CC(C)CCC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 CC(C)C[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CCC(CC1)C[*:1]
CC(C)CCC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CC(C)CCC1CCN(CC1)C(=O)Nc1ccnn1C[*:1]
CC(C)CCC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 CC(C)[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CCC(CC1)CC[*:1]
CC(C)CCC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 CC(C)CC[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CCC(CC1)[*:1]
CC(C)CCC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 CC(C)CCC1CCN(CC1)C(=O)Nc1ccnn1[*:1]
COc1ccccc1C(=O)NCCNc1cc(-n2cccn2)nc(C)n1 COc1ccccc1[*:1] Cc1nc(cc(n1)-n1cccn1)NCCNC(=O)[*:1]
COc1ccccc1C(=O)NCCNc1cc(-n2cccn2)nc(C)n1 c1cnn(c1)[*:1] COc1ccccc1C(=O)NCCNc1cc(nc(C)n1)[*:1]
CC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O CC(=O)[*:1] Cc1c(ccc2C(=O)/C(=C/c3ccc(Cl)cc3)Oc21)OC[*:1]
CC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O Clc1ccc(cc1)[*:1] CC(=O)COc1ccc2C(=O)C(=C[*:1])Oc2c1C
CC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O CC(=O)CO[*:1] Cc1c(ccc2C(=O)/C(=C/c3ccc(Cl)cc3)Oc21)[*:1]
CC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(Cl)cc1)C2=O CC(=O)C[*:1] Cc1c(ccc2C(=O)/C(=C/c3ccc(Cl)cc3)Oc21)O[*:1]
CC(C)OC(=O)CSc1ccc2nnc(-c3ccccc3F)n2n1 CC(C)[*:1] O=C(CSc1ccc2nnc(-c3ccccc3F)n2n1)O[*:1]
CC(C)OC(=O)CSc1ccc2nnc(-c3ccccc3F)n2n1 CC(C)OC(=O)CS[*:1] Fc1ccccc1-c1nnc2ccc(nn12)[*:1]
CC(C)OC(=O)CSc1ccc2nnc(-c3ccccc3F)n2n1 CC(C)OC(=O)C[*:1] Fc1ccccc1-c1nnc2ccc(nn12)S[*:1]
CC(C)OC(=O)CSc1ccc2nnc(-c3ccccc3F)n2n1 CC(C)OC(=O)[*:1] Fc1ccccc1-c1nnc2ccc(nn12)SC[*:1]
CC(C)OC(=O)CSc1ccc2nnc(-c3ccccc3F)n2n1 Fc1ccccc1[*:1] CC(C)OC(=O)CSc1ccc2nnc(n2n1)[*:1]
Cc1ncc(S(C)(=O)=O)c(N[C@H](CO)Cc2c[nH]c3ccccc23)n1 CS(=O)(=O)[*:1] Cc1ncc(c(n1)N[C@H](CO)Cc1c[nH]c2ccccc12)[*:1]
CCn1nccc1C(=O)N1CCC[C@H]1c1c(C)noc1C Cc1noc(C)c1[*:1] CCn1nccc1C(=O)N1CCC[C@@H]1[*:1]
CCn1nccc1C(=O)N1CCC[C@H]1c1c(C)noc1C CCn1nccc1[*:1] Cc1noc(C)c1[C@@H]1CCCN1C(=O)[*:1]
CCSCCC(=O)Nc1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CCSCCC(=O)Nc1cc(ccc1Cl)[*:1]
CCSCCC(=O)Nc1cc(N2CCCC2=O)ccc1Cl CCSC[*:1] O=C(C[*:1])Nc1cc(ccc1Cl)N1CCCC1=O
CCSCCC(=O)Nc1cc(N2CCCC2=O)ccc1Cl CCSCC[*:1] O=C1CCCN1c1ccc(Cl)c(c1)NC(=O)[*:1]
CCSCCC(=O)Nc1cc(N2CCCC2=O)ccc1Cl CCS[*:1] O=C(CC[*:1])Nc1cc(ccc1Cl)N1CCCC1=O
CC1(C)CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)c(F)c2)S1 c1ccc(cc1)[*:1] CC1(C)CN=C(S1)N(C(=O)N[*:1])c1ccc(F)c(F)c1
CC1(C)CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)c(F)c2)S1 Fc1ccc(cc1F)[*:1] CC1(C)CN=C(S1)N(C(=O)Nc1ccccc1)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 Cc1ccc(cc1)C(=O)N[*:1] O=C(c1ccc(Cl)cc1)N1CCC(CC1)[C@H](C(=O)N1CCCC1)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C1CCN(CC1)C(=O)c1ccc(Cl)cc1)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)N1CCCC1)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1)N1CCC(CC1)[C@@H](NC(=O)[*:1])C(=O)N1CCCC1
O=C([O-])C[C@H](C(=O)OC[C@H]1CCCO1)[NH+]1CCOCC1 C1CO[C@H](C1)[*:1] O=C([O-])C[C@H](C(=O)OC[*:1])[NH+]1CCOCC1
O=C([O-])C[C@H](C(=O)OC[C@H]1CCCO1)[NH+]1CCOCC1 C1CO[C@H](C1)C[*:1] O=C([O-])C[C@H](C(=O)O[*:1])[NH+]1CCOCC1
O=C([O-])C[C@H](C(=O)OC[C@H]1CCCO1)[NH+]1CCOCC1 O=C([O-])[*:1] O=C(OC[C@H]1CCCO1)[C@@H](C[*:1])[NH+]1CCOCC1
O=C([O-])C[C@H](C(=O)OC[C@H]1CCCO1)[NH+]1CCOCC1 O=C([O-])C[*:1] O=C(OC[C@H]1CCCO1)[C@H]([NH+]1CCOCC1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 CC(C)[*:1] NC(=O)N[C@H](C(=O)Nc1ccc(F)c(c1)C(F)(F)F)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 NC(=O)N[*:1] CC(C)[C@H](C(=O)Nc1ccc(F)c(c1)C(F)(F)F)[*:1]
CC(C)CN1C(=O)N=C(N)[C@@H]1c1cnn(C)c1 CC(C)C[*:1] Cn1cc(cn1)[C@H]1C(N)=NC(=O)N1[*:1]
CC(C)CN1C(=O)N=C(N)[C@@H]1c1cnn(C)c1 CC(C)[*:1] Cn1cc(cn1)[C@H]1C(N)=NC(=O)N1C[*:1]
O=C(CSc1nnc(C2CC2)n1C[C@@H]1CCCO1)Nc1ccc(Cl)cc1 C1CC1[*:1] O=C(CSc1nnc(n1C[C@@H]1CCCO1)[*:1])Nc1ccc(Cl)cc1
O=C(CSc1nnc(C2CC2)n1C[C@@H]1CCCO1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(C2CC2)n1C[C@@H]1CCCO1)N[*:1]
Cc1cc(O[C@@H](C)C(=O)N2CC[C@@H](C(N)=O)C2)ccc1Cl NC(=O)[*:1] Cc1cc(ccc1Cl)O[C@@H](C)C(=O)N1CC[C@@H](C1)[*:1]
C[C@]12C=C[C@](CNC(=O)OCc3ccccc3)(O1)C(Cl)(Cl)C(=O)C2(Cl)Cl c1ccc(cc1)C[*:1] C[C@]12C=C[C@](CNC(=O)O[*:1])(O1)C(Cl)(Cl)C(=O)C2(Cl)Cl
C[C@]12C=C[C@](CNC(=O)OCc3ccccc3)(O1)C(Cl)(Cl)C(=O)C2(Cl)Cl c1ccc(cc1)[*:1] C[C@]12C=C[C@](CNC(=O)OC[*:1])(O1)C(Cl)(Cl)C(=O)C2(Cl)Cl
C[C@H]1CCC[C@@](O)(C[NH2+]CC(C)(C)C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CCC[C@@](O)(C[NH2+]CC(C)(C)[*:1])C1
CCC[NH2+][C@@H](c1cnc2ccccc2c1)[C@H](C)OC CCC[*:1] CO[C@@H](C)[C@@H]([NH2+][*:1])c1cnc2ccccc2c1
COc1ccc2c(c1)[C@H]([NH2+]Cc1cscc1C)CC2 Cc1cscc1[*:1] COc1ccc2CC[C@@H]([NH2+]C[*:1])c2c1
CC(C)(C)C(=O)COC(=O)c1ccccc1F CC(C)(C)[*:1] O=C(OCC(=O)[*:1])c1ccccc1F
N#C/C(=C\c1c(C2CC2)nc2sccn12)C(=O)Nc1ccncc1 C1CC1[*:1] N#C/C(=C\c1c(nc2sccn12)[*:1])C(=O)Nc1ccncc1
N#C/C(=C\c1c(C2CC2)nc2sccn12)C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] N#C/C(=C\c1c(nc2sccn12)C1CC1)C(=O)N[*:1]
COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC2CCCCC2)c(OC)c1 C1CCC(CC1)[*:1] COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[*:1])c(c1)OC
CCc1nnc(NC(=O)NCC2(c3ccc(F)cc3F)CC2)s1 CCc1nnc(s1)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1F)N[*:1]
CCOc1ccc([C@@H](C)NC(=O)CN2[C@@H](C)COC[C@@H]2C)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)CN1[C@@H](C)COC[C@@H]1C
CCCc1cc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(C)s2)n(C)n1 CCC[*:1] Cc1ccc(C[C@H](C)NC(=O)C(=O)Nc2cc(nn2C)[*:1])s1
CCCc1cc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(C)s2)n(C)n1 Cc1ccc(s1)[*:1] CCCc1cc(NC(=O)C(=O)N[C@@H](C)C[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(C)s2)n(C)n1 Cc1ccc(C[*:1])s1 CCCc1cc(NC(=O)C(=O)N[C@@H](C)[*:1])n(C)n1
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(Cl)cc1 CN(C)[*:1] O=C(Cc1ccc(Cl)cc1)Nc1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CN(C)c1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCCCC1
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(Cl)cc1 O=S(=O)(N1CCCCC1)[*:1] CN(C)c1ccc(cc1NC(=O)Cc1ccc(Cl)cc1)[*:1]
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(C)c1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N1CCCCC1
CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/Nc1cccc(C)c1 Cc1cccc(c1)[*:1] CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/N[*:1]
CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/Nc1cccc(C)c1 c1coc(c1)[*:1] CC1=C(C#N)C(=O)N(C[*:1])C(=O)/C1=C/Nc1cccc(C)c1
CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/Nc1cccc(C)c1 c1coc(c1)C[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C/Nc1cccc(C)c1)[*:1]
CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/Nc1cccc(C)c1 Cc1cccc(c1)N[*:1] CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=C[*:1]
CCCCCC(=O)N1CCC[C@H](C(=O)[O-])C1 CCCC[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)C[*:1]
CCCCCC(=O)N1CCC[C@H](C(=O)[O-])C1 CCC[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)CC[*:1]
CCCCCC(=O)N1CCC[C@H](C(=O)[O-])C1 CCCCC[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)[*:1]
CCCCCC(=O)N1CCC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CCCCCC(=O)N1CCC[C@H](C1)[*:1]
CS(=O)(=O)CCSCc1cc(F)cc(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] CS(=O)(=O)CCSCc1cc(F)cc(c1)[*:1]
CS(=O)(=O)CCSCc1cc(F)cc(/C=C/C(=O)[O-])c1 CS(=O)(=O)CC[*:1] O=C([O-])/C=C/c1cc(F)cc(c1)CS[*:1]
CS(=O)(=O)CCSCc1cc(F)cc(/C=C/C(=O)[O-])c1 CS(=O)(=O)C[*:1] O=C([O-])/C=C/c1cc(F)cc(c1)CSC[*:1]
CS(=O)(=O)CCSCc1cc(F)cc(/C=C/C(=O)[O-])c1 CS(=O)(=O)[*:1] O=C([O-])/C=C/c1cc(F)cc(c1)CSCC[*:1]
CS(=O)(=O)CCSCc1cc(F)cc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] CS(=O)(=O)CCSCc1cc(F)cc(C=C[*:1])c1
Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)N=c4[nH]c5ccccc5[nH]4)C3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
COCCCC(=O)N1CCC(/C(N)=N/O)CC1 COCC[*:1] N/C(=N\O)C1CCN(CC1)C(=O)C[*:1]
COCCCC(=O)N1CCC(/C(N)=N/O)CC1 COC[*:1] N/C(=N\O)C1CCN(CC1)C(=O)CC[*:1]
COCCCC(=O)N1CCC(/C(N)=N/O)CC1 COCCC[*:1] N/C(=N\O)C1CCN(CC1)C(=O)[*:1]
COCCCC(=O)N1CCC(/C(N)=N/O)CC1 N/C(=N\O)[*:1] COCCCC(=O)N1CCC(CC1)[*:1]
O=C(N[C@@H]1CCCOc2ccccc21)N1CC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCCOc2ccccc21)N1CC[C@H](C1)N[*:1]
O=C(N[C@@H]1CCCOc2ccccc21)N1CC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=C(N[C@@H]1CCCOc2ccccc21)N1CC[C@@H](C1)[*:1]
CCCC[NH2+]CCC(=O)NCC CCC[*:1] CCNC(=O)CC[NH2+]C[*:1]
CCCC[NH2+]CCC(=O)NCC CCCC[*:1] CCNC(=O)CC[NH2+][*:1]
CC(C)[C@H]([NH3+])c1nc([O-])c(-c2ccc(Br)cc2)c(=O)[nH]1 CC(C)[*:1] [NH3+][C@H](c1nc([O-])c(-c2ccc(Br)cc2)c(=O)[nH]1)[*:1]
COc1ccc(NC(=O)c2c[nH]c3cccc(F)c23)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])NC(=O)c1c[nH]c2cccc(F)c12
O=C([O-])CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(-c2cccc(Cl)c2)n1 O=C([O-])C[*:1] O=C(/C=C\c1cn(C[*:1])nc1-c1cccc(Cl)c1)c1ccc(F)cc1
O=C([O-])CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] O=C([O-])CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(n1)[*:1]
O=C([O-])CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(-c2cccc(Cl)c2)n1 O=C(c1ccc(F)cc1)[*:1] O=C([O-])CCn1cc(C=C[*:1])c(n1)-c1cccc(Cl)c1
O=C([O-])CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(-c2cccc(Cl)c2)n1 O=C([O-])CC[*:1] O=C(/C=C\c1cn(nc1-c1cccc(Cl)c1)[*:1])c1ccc(F)cc1
O=C([O-])CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(-c2cccc(Cl)c2)n1 O=C([O-])[*:1] O=C(/C=C\c1cn(CC[*:1])nc1-c1cccc(Cl)c1)c1ccc(F)cc1
O=C([O-])CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(-c2cccc(Cl)c2)n1 Fc1ccc(cc1)[*:1] O=C([O-])CCn1cc(/C=C\C(=O)[*:1])c(n1)-c1cccc(Cl)c1
C[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)[C@@H]1C O=S(=O)(N1CCOCC1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c(c2)[*:1])[C@@H]1C
COc1cc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C(=O)N1CCC[C@@H](C1)c1nnc2ccc(cn12)C(F)(F)F
COc1cc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C(=O)N1CCC[C@@H](C1)c1nnc2ccc(cn12)C(F)(F)F
COc1cc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)ccc1OC(C)C FC(F)(F)[*:1] COc1cc(ccc1OC(C)C)C(=O)N1CCC[C@@H](C1)c1nnc2ccc(cn12)[*:1]
[NH3+]C[C@@H]1CCC[C@H]1Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 O=[N+]([O-])[*:1] [NH3+]C[C@@H]1CCC[C@H]1Oc1nc2cc(ccc2[nH]1)[*:1]
Cc1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[NH+](C)Cc1ccc(cc1)CNC(=O)[*:1]
Cn1cc(C[NH+](CCc2ccccn2)Cc2ccc(F)cc2)c(=O)n(C)c1=O Fc1ccc(cc1)[*:1] Cn1cc(C[NH+](CCc2ccccn2)C[*:1])c(=O)n(C)c1=O
Cn1cc(C[NH+](CCc2ccccn2)Cc2ccc(F)cc2)c(=O)n(C)c1=O c1ccc(C[*:1])nc1 Cn1cc(C[NH+](Cc2ccc(F)cc2)C[*:1])c(=O)n(C)c1=O
Cn1cc(C[NH+](CCc2ccccn2)Cc2ccc(F)cc2)c(=O)n(C)c1=O c1ccc(nc1)[*:1] Cn1cc(C[NH+](CC[*:1])Cc2ccc(F)cc2)c(=O)n(C)c1=O
Cn1cc(C[NH+](CCc2ccccn2)Cc2ccc(F)cc2)c(=O)n(C)c1=O Fc1ccc(cc1)C[*:1] Cn1cc(C[NH+](CCc2ccccn2)[*:1])c(=O)n(C)c1=O
Cn1cc(C[NH+](CCc2ccccn2)Cc2ccc(F)cc2)c(=O)n(C)c1=O c1ccc(CC[*:1])nc1 Cn1cc(C[NH+](Cc2ccc(F)cc2)[*:1])c(=O)n(C)c1=O
Cc1ccc(CC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cn1 Cc1ccc(cn1)[*:1] O=C(C[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
Cc1ccc(CC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cn1 Cc1ccc(cn1)C[*:1] O=C(N1CCC(CC1)[C@H](O)c1ccccc1)[*:1]
Cc1ccc(CC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cn1 O[C@H](c1ccccc1)[*:1] Cc1ccc(cn1)CC(=O)N1CCC(CC1)[*:1]
Cc1ccc(CC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cn1 c1ccc(cc1)[*:1] Cc1ccc(cn1)CC(=O)N1CCC(CC1)[C@H](O)[*:1]
COc1cccc(OC)c1C(=O)Nc1cc2c(cc1Sc1ccccc1)n(C)c(=O)n2C c1ccc(cc1)[*:1] COc1cccc(OC)c1C(=O)Nc1cc2c(cc1S[*:1])n(C)c(=O)n2C
COc1cccc(OC)c1C(=O)Nc1cc2c(cc1Sc1ccccc1)n(C)c(=O)n2C COc1cccc(OC)c1[*:1] Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(cc21)NC(=O)[*:1]
COc1cccc(OC)c1C(=O)Nc1cc2c(cc1Sc1ccccc1)n(C)c(=O)n2C c1ccc(cc1)S[*:1] COc1cccc(OC)c1C(=O)Nc1cc2c(cc1[*:1])n(C)c(=O)n2C
CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C CCOC(=O)[*:1] CCc1cc(c(NC(=O)CN2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)s1)[*:1]
C[C@@H](Cn1cncn1)NC(=O)c1ccc2c(c1O)OC(C)(C)C2 c1ncn(n1)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc2CC(C)(C)Oc2c1O
C[C@@H](Cn1cncn1)NC(=O)c1ccc2c(c1O)OC(C)(C)C2 c1ncn(C[*:1])n1 C[C@@H](NC(=O)c1ccc2CC(C)(C)Oc2c1O)[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccncc1 C[C@H](c1ccncc1)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)C(=O)N[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2[nH]c(nc2c1)C(F)F)[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)c1ccncc1 FC(F)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2[nH]c(nc2c1)[*:1])c1ccncc1
C[C@@H]1CN(Cc2ccccc2NC(=O)NCC(C)(C)C(N)=O)C[C@@H](C)O1 NC(=O)[*:1] C[C@@H]1CN(Cc2ccccc2NC(=O)NCC(C)(C)[*:1])C[C@@H](C)O1
C[C@@H]1CN(Cc2ccccc2NC(=O)NCC(C)(C)C(N)=O)C[C@@H](C)O1 CC(C)(C[*:1])C(N)=O C[C@@H]1CN(Cc2ccccc2NC(=O)N[*:1])C[C@@H](C)O1
C[C@@H]1CN(Cc2ccccc2NC(=O)NCC(C)(C)C(N)=O)C[C@@H](C)O1 CC(C)(C(N)=O)[*:1] C[C@@H]1CN(Cc2ccccc2NC(=O)NC[*:1])C[C@@H](C)O1
C/[NH+]=C(/NCCN1c2ccccc2C[C@H]1C)NC(C)C CC(C)[*:1] C/[NH+]=C(/NCCN1c2ccccc2C[C@H]1C)N[*:1]
C[C@@H]1CN(c2cc(C(=O)[O-])c(F)cc2F)S(=O)(=O)C1 O=C([O-])[*:1] C[C@@H]1CN(c2cc(c(F)cc2F)[*:1])S(=O)(=O)C1
CCO[C@H](CCNC(=O)c1cc2ccccc2[nH]1)C(C)C CC(C)[*:1] CCO[C@H](CCNC(=O)c1cc2ccccc2[nH]1)[*:1]
CCO[C@H](CCNC(=O)c1cc2ccccc2[nH]1)C(C)C CCO[*:1] CC(C)[C@@H](CCNC(=O)c1cc2ccccc2[nH]1)[*:1]
CCCCN1CC[NH+]=C1[C@](O)(c1c[nH]c2ccccc12)C(F)(F)F CCC[*:1] O[C@@](C1=[NH+]CCN1C[*:1])(c1c[nH]c2ccccc12)C(F)(F)F
CCCCN1CC[NH+]=C1[C@](O)(c1c[nH]c2ccccc12)C(F)(F)F FC(F)(F)[*:1] CCCCN1CC[NH+]=C1[C@](O)(c1c[nH]c2ccccc12)[*:1]
CCCCN1CC[NH+]=C1[C@](O)(c1c[nH]c2ccccc12)C(F)(F)F CCCC[*:1] O[C@@](C1=[NH+]CCN1[*:1])(c1c[nH]c2ccccc12)C(F)(F)F
Cc1ccc(C(C)C)c2c1[C@@H]([NH2+][C@H]1CCc3n[nH]cc3C1)CCO2 CC(C)[*:1] Cc1ccc(c2OCC[C@H]([NH2+][C@H]3CCc4n[nH]cc4C3)c12)[*:1]
C[C@@H](NC(=O)COC(=O)Cc1nc2ncccn2n1)c1ccc(Cl)cc1Cl c1cnc2nc(nn2c1)[*:1] C[C@@H](NC(=O)COC(=O)C[*:1])c1ccc(Cl)cc1Cl
C[C@@H](NC(=O)COC(=O)Cc1nc2ncccn2n1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@@H](NC(=O)COC(=O)Cc1nc2ncccn2n1)[*:1]
O=C1c2ccccc2S(=O)(=O)N1CS(=O)(=O)[N-]c1cccnc1 c1cncc(c1)[*:1] O=C1c2ccccc2S(=O)(=O)N1CS(=O)(=O)[N-][*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)s1 c1cnn(c1)[*:1] O=[N+]([O-])c1ccc(s1)S(=O)(=O)[N-]c1ccc(cc1)C[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)s1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1ccc(cc1)Cn1cccn1)c1ccc(s1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)s1 O=[N+]([O-])c1ccc(s1)[*:1] O=S(=O)([N-]c1ccc(cc1)Cn1cccn1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)s1 c1cnn(c1)C[*:1] O=[N+]([O-])c1ccc(s1)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
CC(C)N(C(=O)c1cc(C2CC2)nc2ccccc12)C1CCOCC1 CC(C)[*:1] O=C(c1cc(nc2ccccc12)C1CC1)N(C1CCOCC1)[*:1]
CC(C)N(C(=O)c1cc(C2CC2)nc2ccccc12)C1CCOCC1 C1CC1[*:1] CC(C)N(C(=O)c1cc(nc2ccccc12)[*:1])C1CCOCC1
CC(C)N(C(=O)c1cc(C2CC2)nc2ccccc12)C1CCOCC1 C1CC(CCO1)[*:1] CC(C)N(C(=O)c1cc(nc2ccccc12)C1CC1)[*:1]
Cc1cc(N(C)Cc2cccs2)c([C@@H](C)[NH3+])cc1F c1csc(c1)[*:1] Cc1cc(c(cc1F)[C@@H](C)[NH3+])N(C)C[*:1]
Cc1cc(N(C)Cc2cccs2)c([C@@H](C)[NH3+])cc1F c1csc(c1)C[*:1] Cc1cc(c(cc1F)[C@@H](C)[NH3+])N(C)[*:1]
C[C@@H](c1ccco1)N(C(=O)N[C@@H]1CCOc2ccccc21)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)N[C@@H]1CCOc2ccccc21)[*:1]
C[C@@H](c1ccco1)N(C(=O)N[C@@H]1CCOc2ccccc21)C1CC1 C[C@@H](c1ccco1)[*:1] O=C(N[C@@H]1CCOc2ccccc21)N(C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)N[C@@H]1CCOc2ccccc21)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)N[C@@H]1CCOc2ccccc21)C1CC1)[*:1]
CC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(-c2n[nH]c(C)n2)c1 Cc1nc(n[nH]1)[*:1] CC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(c1)[*:1]
CC(C)(C)c1ccc(OCC(=O)N2CCCC2)c(Br)c1 CC(C)(C)[*:1] O=C(COc1ccc(cc1Br)[*:1])N1CCCC1
Cc1ccc2c(c1)=C(CCNC(=O)CN1C(=O)CCN3NC(c4cccc(Cl)c4)=C[C@@H]31)C[NH+]=2 Clc1cccc(c1)[*:1] Cc1ccc2=[NH+]CC(CCNC(=O)CN3C(=O)CCN4NC(=C[C@@H]43)[*:1])=c2c1
COC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 COC(=O)N[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccc(Cl)s1
COC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] COC(=O)Nc1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] COc1ccc(c(F)c1)[C@H](C)N[C@@H](C)C(=O)N[*:1]
Cc1ccc2oc(-c3nc([C@@H]4CCOC4)no3)cc2n1 C1C[C@H](CO1)[*:1] Cc1ccc2oc(cc2n1)-c1nc(no1)[*:1]
CCC(=O)N(C1CC1)[C@H]1NN=C(S[C@@H]2C(=O)[NH+]=c3ccccc3=C2C)S1 C1CC1[*:1] CCC(=O)N([C@H]1NN=C(S[C@@H]2C(=O)[NH+]=c3ccccc3=C2C)S1)[*:1]
CCC(=O)N(C1CC1)[C@H]1NN=C(S[C@@H]2C(=O)[NH+]=c3ccccc3=C2C)S1 CCC(=O)N(C1CC1)[*:1] CC1=c2ccccc2=[NH+]C(=O)[C@H]1SC1=NN[C@@H](S1)[*:1]
C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCC1)c1ccc(Cl)s1 C1CC(C1)[*:1] C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCC1)[*:1]
O=C(CCC1CCCCC1)NCc1nc2ccccc2s1 C1CCC(CC1)[*:1] O=C(CC[*:1])NCc1nc2ccccc2s1
O=C(CCC1CCCCC1)NCc1nc2ccccc2s1 C1CCC(CC1)C[*:1] O=C(C[*:1])NCc1nc2ccccc2s1
C[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[C@H](C)[*:1]
C[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[*:1]
C[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[C@H](C)c1ccccc1 CS(=O)(=O)C[*:1] C[C@H](NC(=O)N[C@@H](c1ccccc1)[*:1])[C@H](C)c1ccccc1
C[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[C@H](C)c1ccccc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)N[C@@H](C[*:1])c1ccccc1)[C@H](C)c1ccccc1
C[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)[*:1])[C@H](C)c1ccccc1
C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cc2ccccc2[nH]1)[*:1]
Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]Cc3ccccc3)cc12 c1ccc(cc1)C[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)C[NH2+][*:1]
Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]Cc3ccccc3)cc12 c1ccc(cc1)[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)C[NH2+]C[*:1]
CSC[C@@H](C)NC(=O)NCCC(=O)Nc1ccc(C)cc1Cl CSC[*:1] Cc1ccc(NC(=O)CCNC(=O)N[C@H](C)[*:1])c(Cl)c1
Cc1cc(C)nc(N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)n1 OCC[*:1] Cc1cc(C)nc(n1)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
COCCCN1CC2(CCN(c3cc[nH+]cc3F)CC2)CC1=O COC[*:1] O=C1CC2(CCN(CC2)c2cc[nH+]cc2F)CN1CC[*:1]
COCCCN1CC2(CCN(c3cc[nH+]cc3F)CC2)CC1=O COCC[*:1] O=C1CC2(CCN(CC2)c2cc[nH+]cc2F)CN1C[*:1]
COCCCN1CC2(CCN(c3cc[nH+]cc3F)CC2)CC1=O COCCC[*:1] O=C1CC2(CCN(CC2)c2cc[nH+]cc2F)CN1[*:1]
CCc1nc(C)c([C@@H](C)OC(=O)c2cnn(C(C)C)c2C)s1 CC(C)[*:1] CCc1nc(C)c(s1)[C@@H](C)OC(=O)c1cnn(c1C)[*:1]
CC[NH2+]Cc1ccccc1N(C)[C@H]1CCSC1 C1C[C@@H](CS1)[*:1] CC[NH2+]Cc1ccccc1N(C)[*:1]
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCC[*:1]
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC[*:1]
Cc1oc(-c2ccccc2)cc1C(=O)NC1CCCCC1 c1ccc(cc1)[*:1] Cc1oc(cc1C(=O)NC1CCCCC1)[*:1]
Cc1oc(-c2ccccc2)cc1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1oc(cc1C(=O)N[*:1])-c1ccccc1
Cc1ccc(-c2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1 Cc1csc(n1)[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N[*:1])n1N
Cc1ccc(-c2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1 Cc1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)CSc1nnc(n1N)[*:1]
CCCC(=O)Nc1ccc(C(=O)NN=C2CCCCCCC2)cc1 CCC[*:1] O=C(NN=C1CCCCCCC1)c1ccc(cc1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(C(=O)NN=C2CCCCCCC2)cc1 CCCC(=O)N[*:1] O=C(NN=C1CCCCCCC1)c1ccc(cc1)[*:1]
O=C(OCn1nnc2ccccc2c1=O)c1occc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(OCn1nnc2ccccc2c1=O)c1occc1[*:1]
N[C@@H](c1cccc(C(F)(F)F)c1Cl)C(F)(F)F FC(F)(F)[*:1] N[C@@H](c1cccc(c1Cl)C(F)(F)F)[*:1]
N[C@@H](c1cccc(C(F)(F)F)c1Cl)C(F)(F)F FC(F)(F)[*:1] N[C@@H](c1cccc(c1Cl)[*:1])C(F)(F)F
O=C(CC1(O)CCCCC1)NNC(=O)c1cc(-c2cccs2)n[nH]1 OC1(CCCCC1)C[*:1] O=C(NNC(=O)[*:1])c1cc(n[nH]1)-c1cccs1
O=C(CC1(O)CCCCC1)NNC(=O)c1cc(-c2cccs2)n[nH]1 OC1(CCCCC1)[*:1] O=C(C[*:1])NNC(=O)c1cc(n[nH]1)-c1cccs1
O=C(CC1(O)CCCCC1)NNC(=O)c1cc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] O=C(CC1(O)CCCCC1)NNC(=O)c1cc(n[nH]1)[*:1]
CCC[NH2+][C@H]1CC[C@H](n2nc(CC)nc2CC)C1 CCC[*:1] CCc1nc(CC)n(n1)[C@H]1CC[C@@H](C1)[NH2+][*:1]
O=C(NCc1ccncc1)[C@H]1CCCN(c2nc3c(F)cccc3s2)C1 c1cc(ccn1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nc2c(F)cccc2s1
O=C(NCc1ccncc1)[C@H]1CCCN(c2nc3c(F)cccc3s2)C1 c1cc(ccn1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2c(F)cccc2s1
C[C@H]1C[C@@H]([NH2+][C@@H](c2cccs2)C2CCCC2)CS1 C1CCC(C1)[*:1] C[C@H]1C[C@H](CS1)[NH2+][C@@H](c1cccs1)[*:1]
C[C@H]1C[C@@H]([NH2+][C@@H](c2cccs2)C2CCCC2)CS1 c1csc(c1)[*:1] C[C@H]1C[C@H](CS1)[NH2+][C@@H](C1CCCC1)[*:1]
CCc1nnc(NC(=O)COc2ccc3ccc(=O)oc3c2)s1 CCc1nnc(s1)[*:1] O=C(COc1ccc2ccc(=O)oc2c1)N[*:1]
Cc1ccc(/C=C/CC(=O)NCc2cccc(-n3ccnc3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CC=C[*:1])NCc1cccc(c1)-n1ccnc1
Cc1ccc(/C=C/CC(=O)NCc2cccc(-n3ccnc3)c2)cc1 c1cn(cn1)[*:1] Cc1ccc(/C=C/CC(=O)NCc2cccc(c2)[*:1])cc1
COc1nc2ccccc2nc1N1CC[NH2+]C[C@@H]1C(=O)[O-] O=C([O-])[*:1] COc1nc2ccccc2nc1N1CC[NH2+]C[C@H]1[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)N2CCC(CC(N)=O)CC2)C1 NC(=O)C[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)N2CCC(CC(N)=O)CC2)C1 NC(=O)[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)C[*:1]
CC[C@H](NC(=O)Nc1ncnn1C)[C@@H](O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@H](NC(=O)Nc1ncnn1C)[C@@H](O)c1ccc(cc1)[*:1]
CC[C@H](NC(=O)Nc1ncnn1C)[C@@H](O)c1ccc(C(F)(F)F)cc1 Cn1ncnc1[*:1] CC[C@H](NC(=O)N[*:1])[C@@H](O)c1ccc(cc1)C(F)(F)F
C[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccc(F)cc2F)[C@H](C)C1 Fc1ccc(c(F)c1)[*:1] C[C@H]1CCN(C(=O)c2cn(C)nc2[*:1])[C@H](C)C1
O=[N+]([O-])c1cc2c(c(COc3cccc(-n4ccnc4)c3)c1)OCOC2 c1cn(cn1)[*:1] O=[N+]([O-])c1cc2COCOc2c(c1)COc1cccc(c1)[*:1]
O=[N+]([O-])c1cc2c(c(COc3cccc(-n4ccnc4)c3)c1)OCOC2 O=[N+]([O-])[*:1] c1cc(cc(c1)-n1ccnc1)OCc1cc(cc2COCOc21)[*:1]
C[NH+]1CCN(C(C)(C)C(=O)NCC2(c3ccc(F)cc3)CCC2)CC1 Fc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)NCC1(CCC1)[*:1]
C[C@@H](OC(=O)/C=C/c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)/C=C/c1ccc2OCCOc2c1)C(=O)N[*:1]
Cc1ccc(NC(=O)N(C)C[C@@H](O)C2CC2)cc1OCC1CCOCC1 C1CC(CCO1)C[*:1] Cc1ccc(cc1O[*:1])NC(=O)N(C)C[C@@H](O)C1CC1
Cc1ccc(NC(=O)N(C)C[C@@H](O)C2CC2)cc1OCC1CCOCC1 C1CC(CCO1)CO[*:1] Cc1ccc(cc1[*:1])NC(=O)N(C)C[C@@H](O)C1CC1
Cc1ccc(NC(=O)N(C)C[C@@H](O)C2CC2)cc1OCC1CCOCC1 C1CC(CCO1)[*:1] Cc1ccc(cc1OC[*:1])NC(=O)N(C)C[C@@H](O)C1CC1
Cc1ccc(NC(=O)N(C)C[C@@H](O)C2CC2)cc1OCC1CCOCC1 C1CC1[*:1] Cc1ccc(cc1OCC1CCOCC1)NC(=O)N(C)C[C@@H](O)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2ccc(Cl)cc2C)CC1 CCOC(=O)[*:1] Cc1cc(Cl)ccc1C(=O)N1CCC(C)(CC1)[*:1]
NC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)C(=O)[O-] C1CC1C[*:1] NC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])C(=O)[O-]
NC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)C(=O)[O-] NC(=O)[*:1] O=C([O-])[C@H](C[*:1])NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1
NC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)C(=O)[O-] NC(=O)C[*:1] O=C([O-])[C@@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)[*:1]
NC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)C(=O)[O-] O=C([O-])[*:1] NC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)[*:1]
NC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)C(=O)[O-] C1CC1[*:1] NC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(C1)C[*:1])C(=O)[O-]
O=C(CCCc1cc(F)ccc1F)Nc1cccc(-c2noc([O-])n2)c1 [O-]c1nc(no1)[*:1] O=C(CCCc1cc(F)ccc1F)Nc1cccc(c1)[*:1]
O=C(CCCc1cc(F)ccc1F)Nc1cccc(-c2noc([O-])n2)c1 Fc1ccc(F)c(c1)[*:1] O=C(CCC[*:1])Nc1cccc(c1)-c1noc([O-])n1
Cn1cc(CN(Cc2ccccc2)C(=S)Nc2cc(F)cc(F)c2)c2ccccc21 c1ccc(cc1)[*:1] Cn1cc(CN(C[*:1])C(=S)Nc2cc(F)cc(F)c2)c2ccccc21
Cn1cc(CN(Cc2ccccc2)C(=S)Nc2cc(F)cc(F)c2)c2ccccc21 Fc1cc(F)cc(c1)[*:1] Cn1cc(CN(Cc2ccccc2)C(=S)N[*:1])c2ccccc21
Cn1cc(CN(Cc2ccccc2)C(=S)Nc2cc(F)cc(F)c2)c2ccccc21 Cn1cc(c2ccccc21)[*:1] Fc1cc(F)cc(c1)NC(=S)N(Cc1ccccc1)C[*:1]
Cn1cc(CN(Cc2ccccc2)C(=S)Nc2cc(F)cc(F)c2)c2ccccc21 c1ccc(cc1)C[*:1] Cn1cc(CN(C(=S)Nc2cc(F)cc(F)c2)[*:1])c2ccccc21
NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Cl)cc1 NS(=O)(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccccc1Cl
NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)[*:1]
CC1CCC(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)CC1 CC1CCC(CC1)[*:1] O=C(N[*:1])c1cc(ccc1Cl)N1CCCC1=O
CC1CCC(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)CC1 O=C1CCCN1[*:1] CC1CCC(CC1)NC(=O)c1cc(ccc1Cl)[*:1]
CC[C@H](C)[C@@H]([NH2+]C)C1([NH+](C)C)CCCCCC1 CC[C@H](C)[*:1] C[NH2+][C@@H](C1(CCCCCC1)[NH+](C)C)[*:1]
Cc1ccsc1C(=O)NNC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 Cc1ccsc1[*:1] O=C(NNC(=O)[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
Cc1ccccc1[C@H]([NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)C1CC1 C1CC1[*:1] Cc1ccccc1[C@H]([NH2+]C[C@@H]1CC[C@@H](O1)C(N)=O)[*:1]
Cc1ccccc1[C@H]([NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)C1CC1 NC(=O)[*:1] Cc1ccccc1[C@H]([NH2+]C[C@@H]1CC[C@H](O1)[*:1])C1CC1
Cc1ccccc1[C@H]([NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)C1CC1 Cc1ccccc1[*:1] NC(=O)[C@H]1CC[C@@H](C[NH2+][C@H](C2CC2)[*:1])O1
CO[C@@]1(C)C[C@H](Nc2cc(C(F)(F)F)nc3ncnn23)C1(C)C FC(F)(F)[*:1] CO[C@@]1(C)C[C@H](Nc2cc(nc3ncnn23)[*:1])C1(C)C
c1cnc(N2CCC[C@@H](C[NH2+]Cc3cccc(-c4ccncc4)c3)C2)nc1 c1cc(ccn1)[*:1] c1cnc(nc1)N1CCC[C@@H](C[NH2+]Cc2cccc(c2)[*:1])C1
c1cnc(N2CCC[C@@H](C[NH2+]Cc3cccc(-c4ccncc4)c3)C2)nc1 c1cnc(nc1)[*:1] c1cc(cc(c1)-c1ccncc1)C[NH2+]C[C@@H]1CCCN(C1)[*:1]
C=CCc1c(Cl)nc(C)nc1NCc1ccccc1 C=CC[*:1] Cc1nc(Cl)c(c(n1)NCc1ccccc1)[*:1]
C=CCc1c(Cl)nc(C)nc1NCc1ccccc1 c1ccc(cc1)[*:1] C=CCc1c(Cl)nc(C)nc1NC[*:1]
CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)CCc1ncc(o1)-c1ccc(Cl)cc1)[*:1]
CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C1CCOCC1 Clc1ccc(cc1)[*:1] CN(C(=O)CCc1ncc(o1)[*:1])C1CCOCC1
CC(C)[C@@H](CO)NC(=O)[C@H]1CCCCN1S(C)(=O)=O CC(C)[C@@H](CO)[*:1] CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[*:1]
CC(C)[C@@H](CO)NC(=O)[C@H]1CCCCN1S(C)(=O)=O CC(C)[*:1] CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](CO)[*:1]
O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 c1ccc(cc1)CO[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1cccc(c1)OCc1ccccc1)N1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)OC[*:1])N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 c1ccc(cc1)C[*:1] O=C(c1cccc(c1)O[*:1])N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] O=C(c1cccc(c1)OCc1ccccc1)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
CCC(=O)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCC(=O)n1nc(nc1NC[*:1])-c1ccc(Cl)cc1
CCC(=O)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccc(OC)cc1 Clc1ccc(cc1)[*:1] CCC(=O)n1nc(nc1NCc1ccc(cc1)OC)[*:1]
COC(=O)c1sccc1NC(=O)C1CCN(c2nccc(C)n2)CC1 COC(=O)[*:1] Cc1ccnc(n1)N1CCC(CC1)C(=O)Nc1ccsc1[*:1]
COC(=O)c1sccc1NC(=O)C1CCN(c2nccc(C)n2)CC1 Cc1ccnc(n1)[*:1] COC(=O)c1sccc1NC(=O)C1CCN(CC1)[*:1]
FC(F)(F)c1ccc(N2CCC([NH2+]Cc3cccc4c3OCCCO4)CC2)nc1 FC(F)(F)[*:1] c1cc(C[NH2+]C2CCN(CC2)c2ccc(cn2)[*:1])c2OCCCOc2c1
N#Cc1ccc(N2CC[NH+](CC3(CO)COC3)CC2)c(F)c1 OCC1(COC1)C[*:1] N#Cc1ccc(c(F)c1)N1CC[NH+](CC1)[*:1]
N#Cc1ccc(N2CC[NH+](CC3(CO)COC3)CC2)c(F)c1 OCC1(COC1)[*:1] N#Cc1ccc(c(F)c1)N1CC[NH+](CC1)C[*:1]
CC(C)Oc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[C@H](O)C2)cc1 CC(C)O[*:1] C[C@@H](NC(=O)NC[C@H]1CCC[C@H](O)C1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[C@H](O)C2)cc1 CC(C)[*:1] C[C@@H](NC(=O)NC[C@H]1CCC[C@H](O)C1)c1ccc(cc1)O[*:1]
CCc1nc(C(=O)Nc2cccc(C(C)C)c2)n[nH]1 CC(C)[*:1] CCc1nc(n[nH]1)C(=O)Nc1cccc(c1)[*:1]
O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(nc1[*:1])N1CCN(CC1)c1cccc[nH+]1
O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)nc1-c1ccccc1 O=[N+]([O-])[*:1] c1ccc(cc1)-c1nc(ccc1[*:1])N1CCN(CC1)c1cccc[nH+]1
C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1ccc(C(N)=O)c(Cl)c1
C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 NC(=O)[*:1] C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C c1ccc(cc1)[*:1] COc1ccc(cc1C)S(=O)(=O)N[C@@H](C)[*:1]
CC(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C1CC1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C1CC1)[*:1]
CC(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C1CC1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)N[C@H](Cc1ccccc1)C1CC1)[*:1]
CC(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C1CC1)C(C)C C1CC1[*:1] CC(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C1CC1)C(C)C c1ccc(cc1)C[*:1] CC(=O)N[C@@H](C(=O)N[C@H](C1CC1)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C1CC1)C(C)C c1ccc(cc1)[*:1] CC(=O)N[C@@H](C(=O)N[C@H](C[*:1])C1CC1)C(C)C
CCOCC(=O)N[C@H]1CNC(=O)C1 CCO[*:1] O=C1C[C@H](CN1)NC(=O)C[*:1]
CCOCC(=O)N[C@H]1CNC(=O)C1 CCOC[*:1] O=C1C[C@H](CN1)NC(=O)[*:1]
N#Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 C1CCC(CC1)[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)N[C@H]1C[C@H]1[*:1]
CCC(CC)[C@@H]([NH2+]C)C1CC1 C1CC1[*:1] CCC(CC)[C@@H]([NH2+]C)[*:1]
Cc1c(CC(=O)N2CCC(O)CC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 O=C(N1CCC(O)CC1)[*:1] Cc1c(C[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
CCc1nnc(NC(=O)CCOc2cc(C)ccc2C)s1 CCc1nnc(s1)[*:1] Cc1ccc(C)c(c1)OCCC(=O)N[*:1]
CC(=O)c1ccc(NC(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CCC[C@@H](C1)Cn1ccnn1
CC(=O)c1ccc(NC(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1C c1cn(nn1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N1CCC[C@@H](C1)C[*:1]
CC(=O)c1ccc(NC(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1C c1cn(C[*:1])nn1 CC(=O)c1ccc(cc1C)NC(=O)N1CCC[C@H](C1)[*:1]
O=S(=O)(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)c1ccc(F)cc1F c1csc(c1)[*:1] O=S(=O)(NCC[C@H]1CCCCN1S(=O)(=O)[*:1])c1ccc(F)cc1F
O=S(=O)(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=S(=O)(c1cccs1)N1CCCC[C@@H]1CCNS(=O)(=O)[*:1]
O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[NH+](CC1)C[*:1]
O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[NH+](CC1)[*:1]
O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CC[NH+](CC2CC2)CC1 c1ccc(cc1)[*:1] O=C(c1n[nH]c(c1Br)[*:1])N1CC[NH+](CC1)CC1CC1
C=C(C)C[C@@H]([NH2+]CC)c1ccc(OC)c(OC)c1 C=C(C)C[*:1] CC[NH2+][C@@H](c1ccc(OC)c(c1)OC)[*:1]
C=C(C)C[C@@H]([NH2+]CC)c1ccc(OC)c(OC)c1 C=C(C)[*:1] CC[NH2+][C@H](C[*:1])c1ccc(OC)c(c1)OC
O=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O Oc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
O=C(NCCOc1ccccc1F)c1n[nH]c2c1CCC2 Fc1ccccc1[*:1] O=C(NCCO[*:1])c1n[nH]c2CCCc12
O=C(CCC(F)(F)F)Nc1ccc(SCc2cccnc2)cc1 c1cncc(c1)C[*:1] O=C(CCC(F)(F)F)Nc1ccc(cc1)S[*:1]
O=C(CCC(F)(F)F)Nc1ccc(SCc2cccnc2)cc1 FC(F)(F)CC[*:1] O=C(Nc1ccc(cc1)SCc1cccnc1)[*:1]
O=C(CCC(F)(F)F)Nc1ccc(SCc2cccnc2)cc1 FC(F)(F)[*:1] O=C(CC[*:1])Nc1ccc(cc1)SCc1cccnc1
O=C(CCC(F)(F)F)Nc1ccc(SCc2cccnc2)cc1 c1cncc(c1)[*:1] O=C(CCC(F)(F)F)Nc1ccc(cc1)SC[*:1]
O=C(CCC(F)(F)F)Nc1ccc(SCc2cccnc2)cc1 FC(F)(F)C[*:1] O=C(C[*:1])Nc1ccc(cc1)SCc1cccnc1
CCC[NH2+][C@H](c1ccc(F)c(Br)c1)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CCC[NH2+][C@H](c1ccc(F)c(Br)c1)[*:1]
CCC[NH2+][C@H](c1ccc(F)c(Br)c1)[C@@H]1CCOC1 CCC[*:1] Fc1ccc(cc1Br)[C@@H]([NH2+][*:1])[C@@H]1CCOC1
Cc1cc(C)n(-c2nc(CCNS(=O)(=O)c3ccc(Br)cc3)cs2)n1 Cc1cc(C)n(n1)[*:1] O=S(=O)(NCCc1csc(n1)[*:1])c1ccc(Br)cc1
Cc1cc(C)n(-c2nc(CCNS(=O)(=O)c3ccc(Br)cc3)cs2)n1 Brc1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1nc(cs1)CCNS(=O)(=O)[*:1]
Clc1cccc(Cl)c1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 c1ccc(cc1)[*:1] Clc1cccc(Cl)c1CSc1nnc(C[NH+]2CCCC2)n1[*:1]
Clc1cccc(Cl)c1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 Clc1cccc(Cl)c1C[*:1] c1ccc(cc1)-n1c(C[NH+]2CCCC2)nnc1S[*:1]
Clc1cccc(Cl)c1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 Clc1cccc(Cl)c1[*:1] c1ccc(cc1)-n1c(C[NH+]2CCCC2)nnc1SC[*:1]
S=c1[nH]nc(-c2ccccn2)n1CC1CCCC1 C1CCC(C1)C[*:1] S=c1[nH]nc(-c2ccccn2)n1[*:1]
S=c1[nH]nc(-c2ccccn2)n1CC1CCCC1 C1CCC(C1)[*:1] S=c1[nH]nc(-c2ccccn2)n1C[*:1]
S=c1[nH]nc(-c2ccccn2)n1CC1CCCC1 c1ccc(nc1)[*:1] S=c1[nH]nc(n1CC1CCCC1)[*:1]
C#CCNC(=O)c1ccc(NCC[NH+](C)CC)nc1 C#CCNC(=O)[*:1] CC[NH+](C)CCNc1ccc(cn1)[*:1]
C#CCNC(=O)c1ccc(NCC[NH+](C)CC)nc1 C#CC[*:1] CC[NH+](C)CCNc1ccc(cn1)C(=O)N[*:1]
Cc1n[nH]c(C)c1CCc1cc(=O)[nH]c(N2CCC(C)CC2)n1 Cc1n[nH]c(C)c1[*:1] CC1CCN(CC1)c1nc(cc(=O)[nH]1)CC[*:1]
Cc1n[nH]c(C)c1CCc1cc(=O)[nH]c(N2CCC(C)CC2)n1 CC1CCN(CC1)[*:1] Cc1n[nH]c(C)c1CCc1cc(=O)[nH]c(n1)[*:1]
CC(=O)NCCCSc1ccc(F)c(F)c1 CC(=O)N[*:1] Fc1ccc(cc1F)SCCC[*:1]
CC(=O)NCCCSc1ccc(F)c(F)c1 CC(=O)NC[*:1] Fc1ccc(cc1F)SCC[*:1]
CCC(C)(CC)NC(=O)CCN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O CCC(C)(CC)[*:1] O=C(CCN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O)N[*:1]
[NH3+][C@H](CC(=O)[O-])c1ccccc1Br O=C([O-])[*:1] [NH3+][C@H](C[*:1])c1ccccc1Br
CC[NH+](CCC#N)Cc1cccc(C)c1 N#CCC[*:1] CC[NH+](Cc1cccc(C)c1)[*:1]
CC[NH+](CCC#N)Cc1cccc(C)c1 N#CC[*:1] CC[NH+](Cc1cccc(C)c1)C[*:1]
Cc1cc(C)n(-c2cncc(Sc3nnc(C)n3N)n2)n1 Cc1cc(C)n(n1)[*:1] Cc1nnc(Sc2cncc(n2)[*:1])n1N
Cc1cc(C)n(-c2cncc(Sc3nnc(C)n3N)n2)n1 Cc1nnc(n1N)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)S[*:1]
O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 Clc1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])c1ccccc1)c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 c1ccc(cc1)[*:1] O=C(N[C@H](Cc1ccc(Cl)cc1)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 Clc1ccc(cc1)C[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(N[C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1cccc(c1)[*:1]
Cc1ccc(OCC2CCC2)c(CBr)n1 C1CC(C1)C[*:1] Cc1ccc(O[*:1])c(CBr)n1
Cc1ccc(OCC2CCC2)c(CBr)n1 C1CC(C1)[*:1] Cc1ccc(OC[*:1])c(CBr)n1
CCn1cc(NC(=O)OCCO)cn1 OCC[*:1] CCn1cc(cn1)NC(=O)O[*:1]
O=C(c1cnc(Oc2ccccc2)cn1)N1CCc2ccc(Cl)cc2C1 c1ccc(cc1)[*:1] O=C(c1cnc(cn1)O[*:1])N1CCc2ccc(Cl)cc2C1
O=C(c1cnc(Oc2ccccc2)cn1)N1CCc2ccc(Cl)cc2C1 c1ccc(cc1)O[*:1] O=C(c1cnc(cn1)[*:1])N1CCc2ccc(Cl)cc2C1
CS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1Cl CS(=O)(=O)[*:1] N#Cc1ccc(cc1Cl)NC(=O)c1ccc(Cl)c(c1)[*:1]
CCCC(=O)NCC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 CCCC(=O)NC[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)N1CCCC1
CCCC(=O)NCC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 CCCC(=O)N[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(c1)N1CCCC1
CCCC(=O)NCC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 CCC[*:1] C[C@@H](NC(=O)CNC(=O)[*:1])c1cccc(c1)N1CCCC1
CCCC(=O)NCC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] CCCC(=O)NCC(=O)N[C@H](C)c1cccc(c1)[*:1]
Cc1ccc2c(CC(=O)N[C@@H](C)c3ccncc3)coc2c1C c1cc(ccn1)[*:1] Cc1ccc2c(coc2c1C)CC(=O)N[C@@H](C)[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)NC3(c4nc(C)cs4)CCCC3)ccc21 Cc1csc(n1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)NC1(CCCC1)[*:1]
CCn1ccnc(N2CCS[C@H](C(C)C)C2)c1=O CC(C)[*:1] CCn1ccnc(c1=O)N1CCS[C@H](C1)[*:1]
COc1cc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)cc(OC)c1OC Fc1ccccc1[*:1] COc1cc(/C=N/n2c(n[nH]c2=S)[*:1])cc(OC)c1OC
O=C1c2cnc3[nH]nc(-c4ccncc4)c3c2C(=O)N1c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C1c2cnc3[nH]nc(-c4ccncc4)c3c2C(=O)N1[*:1]
O=C1c2cnc3[nH]nc(-c4ccncc4)c3c2C(=O)N1c1cccc(C(F)(F)F)c1 c1cc(ccn1)[*:1] O=C1c2cnc3[nH]nc(c3c2C(=O)N1c1cccc(c1)C(F)(F)F)[*:1]
O=C1c2cnc3[nH]nc(-c4ccncc4)c3c2C(=O)N1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1c2cnc3[nH]nc(-c4ccncc4)c3c2C(=O)N1c1cccc(c1)[*:1]
Cc1ccc(-c2cnc(NCc3ccncc3)nc2)cc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1)-c1cnc(nc1)N[*:1]
Cc1ccc(-c2cnc(NCc3ccncc3)nc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)-c1cnc(nc1)NC[*:1]
Cc1ccc(-c2cnc(NCc3ccncc3)nc2)cc1 Cc1ccc(cc1)[*:1] c1cc(ccn1)CNc1ncc(cn1)[*:1]
CC(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)N3CCOCC3)C2(C)C)no1 CC(C)[*:1] CC1(C)[C@H](Cc2cc(C[*:1])on2)C[C@@H]1NC(=O)N1CCOCC1
CC(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)N3CCOCC3)C2(C)C)no1 CC(C)C[*:1] CC1(C)[C@H](Cc2cc(on2)[*:1])C[C@@H]1NC(=O)N1CCOCC1
CC(C)OC(=O)OC[C@@H]1CCC[NH2+]C1 CC(C)[*:1] O=C(OC[C@@H]1CCC[NH2+]C1)O[*:1]
CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccn4)nc3c2[C@@H]1c1ccco1 c1coc(c1)[*:1] CCOC(=O)C1=C(C)Oc2ncn3nc(nc3c2[C@H]1[*:1])-c1ccccn1
CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccn4)nc3c2[C@@H]1c1ccco1 c1ccc(nc1)[*:1] CCOC(=O)C1=C(C)Oc2ncn3nc(nc3c2[C@@H]1c1ccco1)[*:1]
CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccn4)nc3c2[C@@H]1c1ccco1 CCOC(=O)[*:1] CC1Oc2ncn3nc(nc3c2[C@@H](C=1[*:1])c1ccco1)-c1ccccn1
COCCC(=O)N1[C@H]2CC[C@@H]1C[C@@]21CC(=O)c2cc(C)ccc2O1 COCC[*:1] Cc1ccc2O[C@@]3(CC(=O)c2c1)C[C@H]1CC[C@@H]3N1C(=O)[*:1]
COCCC(=O)N1[C@H]2CC[C@@H]1C[C@@]21CC(=O)c2cc(C)ccc2O1 COC[*:1] Cc1ccc2O[C@@]3(CC(=O)c2c1)C[C@H]1CC[C@@H]3N1C(=O)C[*:1]
CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C(C)(C)C)c(C)s1 CC(C)(C)[*:1] CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)[*:1])c(C)s1
CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C(C)(C)C)c(C)s1 CC(=O)N[*:1] Cc1sc(nc1-c1ccc2c(c1)CCN2C(=O)C(C)(C)C)[*:1]
O=C1CCC2(CCN(C(=O)C3CCCCC3)CC2)CN1CCc1cccnc1 c1cncc(c1)C[*:1] O=C1CCC2(CCN(CC2)C(=O)C2CCCCC2)CN1C[*:1]
O=C1CCC2(CCN(C(=O)C3CCCCC3)CC2)CN1CCc1cccnc1 c1cncc(c1)CC[*:1] O=C(C1CCCCC1)N1CCC2(CCC(=O)N(C2)[*:1])CC1
O=C1CCC2(CCN(C(=O)C3CCCCC3)CC2)CN1CCc1cccnc1 c1cncc(c1)[*:1] O=C1CCC2(CCN(CC2)C(=O)C2CCCCC2)CN1CC[*:1]
O=C1CCC2(CCN(C(=O)C3CCCCC3)CC2)CN1CCc1cccnc1 C1CCC(CC1)[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1CCc1cccnc1
COc1ncccc1C(=O)OCc1nnc(-c2ccccc2)n1C COc1ncccc1[*:1] Cn1c(COC(=O)[*:1])nnc1-c1ccccc1
COc1ncccc1C(=O)OCc1nnc(-c2ccccc2)n1C c1ccc(cc1)[*:1] COc1ncccc1C(=O)OCc1nnc(n1C)[*:1]
O=C(NCCc1ccccn1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 c1ccc(CC[*:1])nc1 O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1
O=C(NCCc1ccccn1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(NCCc1ccccn1)C1CCN(CC1)C(=O)[*:1]
O=C(NCCc1ccccn1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 c1ccc(nc1)[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1
O=C(NCCc1ccccn1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 c1ccc(C[*:1])nc1 O=C(NC[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(O)cc2)C2=C([O-])C[C@H](c3ccco3)CC2=N1 c1ccc(nc1)[*:1] CC1N=C2C[C@H](CC([O-])=C2[C@H](C=1C(=O)N[*:1])c1ccc(O)cc1)c1ccco1
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(O)cc2)C2=C([O-])C[C@H](c3ccco3)CC2=N1 O=C(Nc1ccccn1)[*:1] CC1N=C2C[C@H](CC([O-])=C2[C@H](C=1[*:1])c1ccc(O)cc1)c1ccco1
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(O)cc2)C2=C([O-])C[C@H](c3ccco3)CC2=N1 c1coc(c1)[*:1] CC1N=C2C[C@@H](CC([O-])=C2[C@H](C=1C(=O)Nc1ccccn1)c1ccc(O)cc1)[*:1]
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(O)cc2)C2=C([O-])C[C@H](c3ccco3)CC2=N1 Oc1ccc(cc1)[*:1] CC1N=C2C[C@H](CC([O-])=C2[C@@H](C=1C(=O)Nc1ccccn1)[*:1])c1ccco1
CCn1c(Nc2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(nc2ccccc21)N[*:1]
COCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(F)c1 COC[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1CC[*:1]
COCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(F)c1 c1ccc(cc1)[*:1] COCCCN1C(=O)c2[nH]nc(c2[C@H]1c1cccc(F)c1)[*:1]
COCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(F)c1 COCCC[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1[*:1]
COCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(F)c1 COCC[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1C[*:1]
COCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] COCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1[*:1]
CNC(=O)NCC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C CNC(=O)NC[*:1] C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)[*:1]
CNC(=O)NCC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C CNC(=O)N[*:1] C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)C[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)NC2(C)Cc3ccccc3C2)c1 CC(C)NC(=O)N[*:1] CC1(Cc2ccccc2C1)NC(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)NC2(C)Cc3ccccc3C2)c1 CC(C)[*:1] CC1(Cc2ccccc2C1)NC(=O)c1cccc(c1)NC(=O)N[*:1]
C[C@H](CCc1ccccc1)NC(=O)c1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] C[C@H](CCc1ccccc1)NC(=O)c1nc(no1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)c1nc(-c2ccc(F)cc2)no1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)c1nc(no1)-c1ccc(F)cc1
C[C@H](CCc1ccccc1)NC(=O)c1nc(-c2ccc(F)cc2)no1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)c1nc(no1)-c1ccc(F)cc1
C[C@H](CCc1ccccc1)NC(=O)c1nc(-c2ccc(F)cc2)no1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)c1nc(no1)-c1ccc(F)cc1)[*:1]
C[C@@H](CCc1ccccc1)N1C[C@H](C)C[C@@H]([NH3+])C1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])N1C[C@H](C)C[C@@H]([NH3+])C1
O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NC[*:1]
O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[*:1]
O=C(c1cnccn1)N1CC(C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1cnccn1)N1CC(C1)C(=O)N(Cc1ccccc1)[*:1]
O=C(c1cnccn1)N1CC(C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 c1cnc(cn1)[*:1] O=C(C1CN(C1)C(=O)[*:1])N(Cc1ccccc1)Cc1ccccc1
O=C(c1cnccn1)N1CC(C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cnccn1)N1CC(C1)C(=O)N(Cc1ccccc1)C[*:1]
COc1ccc(F)cc1C(=O)N(C)[C@@H](C)c1ccco1 c1coc(c1)[*:1] COc1ccc(F)cc1C(=O)N(C)[C@@H](C)[*:1]
C[C@H](Oc1ccc(C(=O)[O-])cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)N(C)[C@H]1CCS(=O)(=O)C1
C[C@H](Oc1ccc(C(=O)[O-])cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@H](Oc1ccc(cc1)C(=O)[O-])C(=O)N(C)[*:1]
O=C(NCCCOC1CCCC1)c1ncccc1C(F)(F)F C1CCC(C1)O[*:1] O=C(NCCC[*:1])c1ncccc1C(F)(F)F
O=C(NCCCOC1CCCC1)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCCCOC1CCCC1)c1ncccc1[*:1]
O=C(NCCCOC1CCCC1)c1ncccc1C(F)(F)F C1CCC(C1)OC[*:1] O=C(NCC[*:1])c1ncccc1C(F)(F)F
O=C(NCCCOC1CCCC1)c1ncccc1C(F)(F)F C1CCC(C1)[*:1] O=C(NCCCO[*:1])c1ncccc1C(F)(F)F
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 Fc1ccc(F)c(c1)[*:1] C[C@@H](N(C)C(=O)NCc1cccc(c1)[N+](=O)[O-])[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cccc(c1)[*:1]
O=C(C1CC1)N(C1CCCC1)C1CCCC1 C1CC1[*:1] O=C(N(C1CCCC1)C1CCCC1)[*:1]
O=C(C1CC1)N(C1CCCC1)C1CCCC1 C1CCC(C1)[*:1] O=C(C1CC1)N(C1CCCC1)[*:1]
CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O CC(C)c1ccccc1[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1
CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O CC(C)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccccc2[*:1])C1=O)c1ccccc1
CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
O=C(NCc1ncc(-c2ccccc2)[nH]1)c1ccnc(OCC(F)F)c1 FC(F)CO[*:1] O=C(NCc1ncc([nH]1)-c1ccccc1)c1ccnc(c1)[*:1]
O=C(NCc1ncc(-c2ccccc2)[nH]1)c1ccnc(OCC(F)F)c1 FC(F)[*:1] O=C(NCc1ncc([nH]1)-c1ccccc1)c1ccnc(c1)OC[*:1]
O=C(NCc1ncc(-c2ccccc2)[nH]1)c1ccnc(OCC(F)F)c1 c1ccc(cc1)[*:1] O=C(NCc1ncc([nH]1)[*:1])c1ccnc(c1)OCC(F)F
O=C(NCc1ncc(-c2ccccc2)[nH]1)c1ccnc(OCC(F)F)c1 FC(F)C[*:1] O=C(NCc1ncc([nH]1)-c1ccccc1)c1ccnc(c1)O[*:1]
O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1ccccc1Br O=C(O[*:1])c1ccccc1Br O=C(N/N=C/c1ccc(cc1)[*:1])[C@@H]1COc2ccccc2O1
O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1ccccc1Br Brc1ccccc1[*:1] O=C(N/N=C/c1ccc(cc1)OC(=O)[*:1])[C@@H]1COc2ccccc2O1
CC(=O)Nc1cc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)ccc1Cl c1ccc(cc1)C[*:1] CC(=O)Nc1cc(ccc1Cl)NC(=O)N[C@@H](C[NH+](C)C)[*:1]
CC(=O)Nc1cc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)ccc1Cl CC(=O)N[*:1] C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(=O)Nc1cc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)ccc1Cl c1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1Cl)NC(=O)N[C@H](C[NH+](C)C)C[*:1]
CC[C@H](O)CC[NH2+][C@@H](c1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] CC[C@H](O)CC[NH2+][C@@H](C1CCCC1)[*:1]
CC[C@H](O)CC[NH2+][C@@H](c1ccccc1)C1CCCC1 C1CCC(C1)[*:1] CC[C@H](O)CC[NH2+][C@@H](c1ccccc1)[*:1]
CC[C@H](O)CC[NH2+][C@@H](c1ccccc1)C1CCCC1 CC[C@H](O)[*:1] c1ccc(cc1)[C@H]([NH2+]CC[*:1])C1CCCC1
CC[C@H](O)CC[NH2+][C@@H](c1ccccc1)C1CCCC1 CC[C@H](O)C[*:1] c1ccc(cc1)[C@H]([NH2+]C[*:1])C1CCCC1
CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccccc1-c1nnn[n-]1 Fc1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)c1ccccc1-c1nnn[n-]1
C[S@@](=O)c1ccccc1NC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] C[S@@](=O)c1ccccc1NC(=O)[*:1]
CNC(=O)NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] CNC(=O)NC(=O)[C@H](c1ccccc1)[NH+]1CCN(CC1)c1ccc(cn1)[*:1]
CNC(=O)NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)c1ccc(nc1)[*:1] CNC(=O)NC(=O)[C@H](c1ccccc1)[NH+]1CCN(CC1)[*:1]
CNC(=O)NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@H]([NH+]1CCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
CNC(=O)NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 CNC(=O)NC(=O)[*:1] FC(F)(F)c1ccc(nc1)N1CC[NH+](CC1)[C@@H](c1ccccc1)[*:1]
COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1 c1ccc2[nH]c(nc2c1)[*:1] COc1cc(c(Cl)cc1-c1ccc(C=C(C#N)[*:1])o1)[N+](=O)[O-]
COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1 O=[N+]([O-])[*:1] COc1cc(c(Cl)cc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1)[*:1]
CC(C)C12CN3CCN(CC(C3)/C1=N\N=C1/C3CN4CCN(C3)CC1(C(C)C)C4)C2 CC(C)[*:1] CC(C)C12CN3CCN(CC(C3)/C1=N\N=C1/C3CN4CCN(C3)CC1(C4)[*:1])C2
Cc1ccc(CNc2nc[nH+]c3nc(N)ccc23)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] Cc1ccc(CNc2nc[nH+]c3nc(N)ccc23)c(c1)OC[*:1]
Cc1ccc(CNc2nc[nH+]c3nc(N)ccc23)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)CO[*:1] Cc1ccc(CNc2nc[nH+]c3nc(N)ccc23)c(c1)[*:1]
Cc1ccc(CNc2nc[nH+]c3nc(N)ccc23)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)C[*:1] Cc1ccc(CNc2nc[nH+]c3nc(N)ccc23)c(c1)O[*:1]
Cc1csc(SCc2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)n1 Cc1csc(n1)SC[*:1] O=C(Nc1nc2ccccc2[nH]1)c1ccc(cc1)[*:1]
Cc1csc(SCc2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)n1 Cc1csc(n1)[*:1] O=C(Nc1nc2ccccc2[nH]1)c1ccc(cc1)CS[*:1]
Cc1csc(SCc2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)n1 Cc1csc(n1)S[*:1] O=C(Nc1nc2ccccc2[nH]1)c1ccc(cc1)C[*:1]
O=C(/C=C/c1c(Cl)nc2ccccn12)NCCOc1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1c(Cl)nc2ccccn12)NCCO[*:1]
O=C(/C=C/c1c(Cl)nc2ccccn12)NCCOc1ccccc1 c1ccc(cc1)OC[*:1] O=C(/C=C/c1c(Cl)nc2ccccn12)NC[*:1]
O=C(/C=C/c1c(Cl)nc2ccccn12)NCCOc1ccccc1 c1ccc(cc1)O[*:1] O=C(/C=C/c1c(Cl)nc2ccccn12)NCC[*:1]
COc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc(Cl)c4)c3)cn2n1 Clc1cccc(c1)[*:1] COc1ccc2nc(cn2n1)-c1ccc(C)c(c1)NC(=O)[*:1]
CNC(=O)CNC(=O)CCc1cccc(N)c1 CNC(=O)[*:1] Nc1cccc(c1)CCC(=O)NC[*:1]
CNC(=O)CNC(=O)CCc1cccc(N)c1 CNC(=O)C[*:1] Nc1cccc(c1)CCC(=O)N[*:1]
Cn1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)N1CCC(CC1)C(=O)[O-]
Cn1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1C(=O)N1CCCCC1 O=C([O-])[*:1] Cn1cc(cc1C(=O)N1CCCCC1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c(C)n1C(C)C c1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCO[C@H](C2)[*:1])c(C)n1C(C)C
Cc1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)N2CCO[C@@H](C2)c2ccccc2)c(C)n1[*:1]
Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)COc1cc2oc(=O)c(C)c(C)c2cc1Cl Cc1cccc(C)c1[*:1] Cc1c(C)c2cc(Cl)c(cc2oc1=O)OCC(=O)N[*:1]
C[C@@H](CN1CCOCC1)NC(=O)NCc1nnc2n1CCCCC2 C1CN(CCO1)C[*:1] C[C@@H](NC(=O)NCc1nnc2CCCCCn21)[*:1]
C[C@@H](CN1CCOCC1)NC(=O)NCc1nnc2n1CCCCC2 C1CN(CCO1)[*:1] C[C@@H](C[*:1])NC(=O)NCc1nnc2CCCCCn21
Cc1ccc(O)c(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(O)c(c1)C(=O)N[C@@H]1CCO[C@@H]1[*:1]
O=C(Nc1ccncc1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 c1cc(ccn1)[*:1] O=C(N[*:1])N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F
O=C(Nc1ccncc1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] O=C(Nc1ccncc1)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
[NH3+]C[C@@]1([C@H](O)C2CCOCC2)COc2ccccc2C1 C1CC(CCO1)[*:1] [NH3+]C[C@]1(COc2ccccc2C1)[C@H](O)[*:1]
C[C@H]1SCCC[C@H]1Nc1ccc(O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H]1SCCC[C@H]1Nc1ccc(O)cc1[*:1]
CC(C)c1nnc(CCC(=O)NNc2ccnc3ccccc23)o1 CC(C)[*:1] O=C(CCc1nnc(o1)[*:1])NNc1ccnc2ccccc12
CC(C)c1nnc(CCC(=O)NNc2ccnc3ccccc23)o1 CC(C)c1nnc(o1)[*:1] O=C(CC[*:1])NNc1ccnc2ccccc12
Cn1nccc1NC(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] Cn1nccc1NC(=O)c1n[nH]c(n1)[*:1]
Cc1nc(C)c([C@H](C)NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)s1 FC(F)(F)[*:1] Cc1nc(C)c(s1)[C@H](C)NC(=O)c1sc2nc(ccc2c1C)[*:1]
Cc1nc(C)c([C@H](C)NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)s1 Cc1nc(C)c(s1)[*:1] Cc1c(sc2nc(ccc12)C(F)(F)F)C(=O)N[C@@H](C)[*:1]
COc1ccc([C@H](NC(=O)NCc2cc(F)cc(OC)c2)c2nccn2C)cc1 Cn1ccnc1[*:1] COc1ccc(cc1)[C@H](NC(=O)NCc1cc(F)cc(c1)OC)[*:1]
COc1ccc([C@H](NC(=O)NCc2cc(F)cc(OC)c2)c2nccn2C)cc1 COc1cc(F)cc(c1)[*:1] COc1ccc(cc1)[C@H](NC(=O)NC[*:1])c1nccn1C
COc1ccc([C@H](NC(=O)NCc2cc(F)cc(OC)c2)c2nccn2C)cc1 COc1ccc(cc1)[*:1] COc1cc(F)cc(c1)CNC(=O)N[C@H](c1nccn1C)[*:1]
CC(C)[C@@H]1CN(C(=O)c2scc3c2OCCO3)CCC(=O)N1CC1CC1 C1CC1C[*:1] CC(C)[C@@H]1CN(CCC(=O)N1[*:1])C(=O)c1scc2OCCOc21
CC(C)[C@@H]1CN(C(=O)c2scc3c2OCCO3)CCC(=O)N1CC1CC1 C1CC1[*:1] CC(C)[C@@H]1CN(CCC(=O)N1C[*:1])C(=O)c1scc2OCCOc21
CC(C)[C@@H]1CN(C(=O)c2scc3c2OCCO3)CCC(=O)N1CC1CC1 CC(C)[*:1] O=C(c1scc2OCCOc21)N1CCC(=O)N(CC2CC2)[C@@H](C1)[*:1]
COC(=O)CC1(CC(=O)NC(C)(C)C#N)OCCO1 COC(=O)[*:1] CC(C)(C#N)NC(=O)CC1(C[*:1])OCCO1
COC(=O)CC1(CC(=O)NC(C)(C)C#N)OCCO1 COC(=O)C[*:1] CC(C)(C#N)NC(=O)CC1(OCCO1)[*:1]
COC(=O)CC1(CC(=O)NC(C)(C)C#N)OCCO1 CC(C)(C#N)[*:1] COC(=O)CC1(CC(=O)N[*:1])OCCO1
CCN(Cc1ccccn1)S(=O)(=O)N1CCCC[C@@H]1CO c1ccc(C[*:1])nc1 CCN(S(=O)(=O)N1CCCC[C@@H]1CO)[*:1]
CCN(Cc1ccccn1)S(=O)(=O)N1CCCC[C@@H]1CO c1ccc(nc1)[*:1] CCN(C[*:1])S(=O)(=O)N1CCCC[C@@H]1CO
CCCCC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O CCCC[*:1] O=C1NC2(CCCC2)C(=O)N1CCCNC(=O)[*:1]
CCCCC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O CCC[*:1] O=C(C[*:1])NCCCN1C(=O)NC2(CCCC2)C1=O
CCCCC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O CCCCC(=O)N[*:1] O=C1NC2(CCCC2)C(=O)N1CCC[*:1]
COc1cc(OC)cc(C(=O)N(C)Cc2ccsc2)c1 c1cc(cs1)[*:1] COc1cc(cc(c1)C(=O)N(C)C[*:1])OC
COc1cc(OC)cc(C(=O)N(C)Cc2ccsc2)c1 c1cc(cs1)C[*:1] COc1cc(cc(c1)C(=O)N(C)[*:1])OC
C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C Clc1ccc(s1)[*:1] C=CCN(C[*:1])S(=O)(=O)c1cc(ccc1C)S(C)(=O)=O
C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C C=CC[*:1] Cc1ccc(cc1S(=O)(=O)N(Cc1ccc(Cl)s1)[*:1])S(C)(=O)=O
C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C CS(=O)(=O)[*:1] C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(ccc1C)[*:1]
C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C Clc1ccc(C[*:1])s1 C=CCN(S(=O)(=O)c1cc(ccc1C)S(C)(=O)=O)[*:1]
O=C(NCc1ccc(C(=O)[O-])cc1)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(NCc1ccc(cc1)C(=O)[O-])N[*:1]
O=C(NCc1ccc(C(=O)[O-])cc1)Nc1ccccc1Br O=C([O-])[*:1] O=C(NCc1ccc(cc1)[*:1])Nc1ccccc1Br
O=[N+]([O-])c1nc(SOCc2ccccc2)[nH]c1-c1ccccc1 c1ccc(cc1)C[*:1] O=[N+]([O-])c1nc([nH]c1-c1ccccc1)SO[*:1]
O=[N+]([O-])c1nc(SOCc2ccccc2)[nH]c1-c1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1nc([nH]c1-c1ccccc1)SOC[*:1]
O=[N+]([O-])c1nc(SOCc2ccccc2)[nH]c1-c1ccccc1 O=[N+]([O-])[*:1] c1ccc(cc1)COSc1nc(c([nH]1)-c1ccccc1)[*:1]
O=[N+]([O-])c1nc(SOCc2ccccc2)[nH]c1-c1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1nc([nH]c1[*:1])SOCc1ccccc1
Cc1cc(NC(=O)N2C[C@H]3CCCN3c3ccccc32)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(N[*:1])N1C[C@H]2CCCN2c2ccccc21
CC[C@@H](C)c1ccc(NC(=O)CSc2ncn[nH]2)cc1 c1n[nH]c(n1)[*:1] CC[C@@H](C)c1ccc(cc1)NC(=O)CS[*:1]
CC[C@@H](C)c1ccc(NC(=O)CSc2ncn[nH]2)cc1 c1n[nH]c(n1)S[*:1] CC[C@@H](C)c1ccc(cc1)NC(=O)C[*:1]
CC[C@@H](C)c1ccc(NC(=O)CSc2ncn[nH]2)cc1 CC[C@@H](C)[*:1] O=C(CSc1ncn[nH]1)Nc1ccc(cc1)[*:1]
Cc1nn(Cc2ccc(C(=O)NC[C@@H](O)C[NH+](C)C)o2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] C[NH+](C)C[C@H](O)CNC(=O)c1ccc(C[*:1])o1
CC[C@@H](C)[C@H](C[NH2+]C)Cc1ccc(C)cc1 CC[C@@H](C)[*:1] C[NH2+]C[C@H](Cc1ccc(C)cc1)[*:1]
C/C=C/C(=O)NCCc1nc2ccccc2n1CCC CCC[*:1] C/C=C/C(=O)NCCc1nc2ccccc2n1[*:1]
C/C=C/C(=O)NCCc1nc2ccccc2n1CCC C/C=C/C(=O)N[*:1] CCCn1c(CC[*:1])nc2ccccc21
C/C=C/C(=O)NCCc1nc2ccccc2n1CCC CC=C[*:1] CCCn1c(CCNC(=O)[*:1])nc2ccccc21
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 C1CCC(CC1)[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1[N+](=O)[O-])[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])c1ccccc1[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1[*:1]
CCN(CCc1ccccn1)Cc1nc2c(cnn2C)c(=O)[nH]1 c1ccc(nc1)[*:1] CCN(CC[*:1])Cc1nc2c(cnn2C)c(=O)[nH]1
CCN(CCc1ccccn1)Cc1nc2c(cnn2C)c(=O)[nH]1 c1ccc(C[*:1])nc1 CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)C[*:1]
O=C1NC(=O)[C@](c2cccnc2)(C2CCN(C(=O)c3ccc[nH]3)CC2)N1 c1c[nH]c(c1)[*:1] O=C1NC(=O)[C@](N1)(c1cccnc1)C1CCN(CC1)C(=O)[*:1]
O=C1NC(=O)[C@](c2cccnc2)(C2CCN(C(=O)c3ccc[nH]3)CC2)N1 c1cncc(c1)[*:1] O=C1NC(=O)[C@@](N1)(C1CCN(CC1)C(=O)c1ccc[nH]1)[*:1]
CN(CCc1cccs1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1csc(c1)CC[*:1] CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[*:1]
CN(CCc1cccs1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1
CN(CCc1cccs1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 CN(CCc1cccs1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CN(CCc1cccs1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] CN(CCc1cccs1)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CN(CCc1cccs1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1
CCNC(=O)[C@H](C)[NH2+][C@@H]1CSCCC1(C)C CCNC(=O)[*:1] C[C@H]([NH2+][C@@H]1CSCCC1(C)C)[*:1]
O=C(O[C@H]1C=Cc2ccccc2[C@@H]1O)c1ccccc1 c1ccc(cc1)[*:1] O=C(O[C@H]1C=Cc2ccccc2[C@@H]1O)[*:1]
COc1ccc(C(=O)[O-])cc1C(F)(F)F O=C([O-])[*:1] COc1ccc(cc1C(F)(F)F)[*:1]
COc1ccc(C(=O)[O-])cc1C(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1[*:1])C(=O)[O-]
Nc1nc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] Nc1nc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)nc(n1)[*:1]
Nc1nc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] Nc1nc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)nc(n1)N[*:1]
Nc1nc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)nc(Nc2ccccc2)n1 c1coc(c1)C[*:1] Nc1nc(CSc2nc3ccccc3c(=O)n2[*:1])nc(n1)Nc1ccccc1
Nc1nc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)nc(Nc2ccccc2)n1 c1coc(c1)[*:1] Nc1nc(CSc2nc3ccccc3c(=O)n2C[*:1])nc(n1)Nc1ccccc1
COc1cccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)c3c(N)ncnc3n2)c1 COc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)-c1cc(nc2ncnc(N)c12)[*:1]
O=C(COc1ccc2ccc(=O)oc2c1)NCCc1ccccn1 c1ccc(CC[*:1])nc1 O=C(COc1ccc2ccc(=O)oc2c1)N[*:1]
O=C(COc1ccc2ccc(=O)oc2c1)NCCc1ccccn1 c1ccc(nc1)[*:1] O=C(COc1ccc2ccc(=O)oc2c1)NCC[*:1]
O=C(COc1ccc2ccc(=O)oc2c1)NCCc1ccccn1 c1ccc(C[*:1])nc1 O=C(COc1ccc2ccc(=O)oc2c1)NC[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3-c3ccc(F)cc3)CS(=O)(=O)C4)CC2=O)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3-c3ccc(F)cc3)CS(=O)(=O)C4)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1-c1ccc(F)cc1)[C@H]1CC(=O)N(C1)[*:1]
CC[C@@H](CC(=O)N1CCN(C(=O)c2cccnc2)CC1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cccnc1)[*:1]
CC[C@@H](CC(=O)N1CCN(C(=O)c2cccnc2)CC1)c1ccc(C)cc1 c1cncc(c1)[*:1] CC[C@@H](CC(=O)N1CCN(CC1)C(=O)[*:1])c1ccc(C)cc1
Cc1ccccc1-n1c(SCC(=O)NC2(C#N)CCCC2)nnc1-c1cccnc1 N#CC1(CCCC1)[*:1] Cc1ccccc1-n1c(nnc1-c1cccnc1)SCC(=O)N[*:1]
Cc1ccccc1-n1c(SCC(=O)NC2(C#N)CCCC2)nnc1-c1cccnc1 Cc1ccccc1[*:1] N#CC1(CCCC1)NC(=O)CSc1nnc(-c2cccnc2)n1[*:1]
Cc1ccccc1-n1c(SCC(=O)NC2(C#N)CCCC2)nnc1-c1cccnc1 N#CC1(CCCC1)NC(=O)[*:1] Cc1ccccc1-n1c(nnc1-c1cccnc1)SC[*:1]
Cc1ccccc1-n1c(SCC(=O)NC2(C#N)CCCC2)nnc1-c1cccnc1 c1cncc(c1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])SCC(=O)NC1(C#N)CCCC1
CNC(=O)[C@@H](Nc1nc2cc(C)nn2c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@@H](Nc1nc2cc(C)nn2c2ccccc12)[*:1]
CNC(=O)[C@@H](Nc1nc2cc(C)nn2c2ccccc12)c1ccccc1 CNC(=O)[*:1] Cc1cc2nc(N[C@@H](c3ccccc3)[*:1])c3ccccc3n2n1
COCCN(Cc1ccco1)C(=O)c1ccc(Br)cc1Cl COC[*:1] O=C(c1ccc(Br)cc1Cl)N(Cc1ccco1)C[*:1]
COCCN(Cc1ccco1)C(=O)c1ccc(Br)cc1Cl COCC[*:1] O=C(c1ccc(Br)cc1Cl)N(Cc1ccco1)[*:1]
COCCN(Cc1ccco1)C(=O)c1ccc(Br)cc1Cl c1coc(c1)[*:1] COCCN(C[*:1])C(=O)c1ccc(Br)cc1Cl
COCCN(Cc1ccco1)C(=O)c1ccc(Br)cc1Cl c1coc(c1)C[*:1] COCCN(C(=O)c1ccc(Br)cc1Cl)[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1 Clc1cccc(c1)C[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N(C)[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N(C)C[*:1]
O=C(Nc1ccnn1Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] O=C(Nc1ccnn1Cc1ccccc1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccnn1Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1ccc(cc1)C[*:1] O=C(Nc1ccnn1[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
O=C(Nc1ccnn1Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] O=C(Nc1ccnn1Cc1ccccc1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1ccnn1Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1C[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
O=C([O-])CCCC1=C2CCC(=O)C=C2CCC1 O=C([O-])[*:1] O=C1C=C2CCCC(CCC[*:1])=C2CC1
O=C([O-])CCCC1=C2CCC(=O)C=C2CCC1 O=C([O-])C[*:1] O=C1C=C2CCCC(CC[*:1])=C2CC1
O=C([O-])CCCC1=C2CCC(=O)C=C2CCC1 O=C([O-])CC[*:1] O=C1C=C2CCCC(C[*:1])=C2CC1
COC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1C COC(=O)[*:1] COc1ccc(cc1)-c1nnc(S[C@H](C)[*:1])n1C
COC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1C COC(=O)[C@@H](C)[*:1] COc1ccc(cc1)-c1nnc(S[*:1])n1C
COC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1C COC(=O)[C@@H](C)S[*:1] COc1ccc(cc1)-c1nnc(n1C)[*:1]
Cc1ccccc1Cn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O Cc1ccccc1[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc1oc(cn12)-c1ccccc1
Cc1ccccc1Cn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O c1ccc(cc1)[*:1] Cc1ccccc1Cn1c(=O)c2c(nc3oc(cn32)[*:1])n(C)c1=O
Cc1ccccc1Cn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O Cc1ccccc1C[*:1] Cn1c(=O)n(c(=O)c2c1nc1oc(cn12)-c1ccccc1)[*:1]
CN(c1ccc(NC(=O)c2ccc([O-])nn2)cc1F)C1CCCCC1 CN(C1CCCCC1)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])c1ccc([O-])nn1
CN(c1ccc(NC(=O)c2ccc([O-])nn2)cc1F)C1CCCCC1 C1CCC(CC1)[*:1] CN(c1ccc(cc1F)NC(=O)c1ccc([O-])nn1)[*:1]
CC(C)N(CC(N)=S)C(=O)c1cccc(C(F)(F)F)c1F NC(=S)C[*:1] CC(C)N(C(=O)c1cccc(c1F)C(F)(F)F)[*:1]
CC(C)N(CC(N)=S)C(=O)c1cccc(C(F)(F)F)c1F NC(=S)[*:1] CC(C)N(C[*:1])C(=O)c1cccc(c1F)C(F)(F)F
CC(C)N(CC(N)=S)C(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] CC(C)N(CC(N)=S)C(=O)c1cccc(c1F)[*:1]
CC(C)N(CC(N)=S)C(=O)c1cccc(C(F)(F)F)c1F CC(C)[*:1] NC(=S)CN(C(=O)c1cccc(c1F)C(F)(F)F)[*:1]
Fc1ccc(-n2c(CCc3ccccc3)n[nH]c2=S)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)-n1c(CC[*:1])n[nH]c1=S
Fc1ccc(-n2c(CCc3ccccc3)n[nH]c2=S)cc1 c1ccc(cc1)C[*:1] Fc1ccc(cc1)-n1c(C[*:1])n[nH]c1=S
Fc1ccc(-n2c(CCc3ccccc3)n[nH]c2=S)cc1 Fc1ccc(cc1)[*:1] S=c1[nH]nc(CCc2ccccc2)n1[*:1]
CCCc1c(C(=O)O/N=C/c2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1 CCC[*:1] N#Cc1ccc(/C=N/OC(=O)c2cnn(-c3ccc(Cl)cc3)c2[*:1])cc1
CCCc1c(C(=O)O/N=C/c2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1 N#Cc1ccc(cc1)[*:1] CCCc1c(cnn1-c1ccc(Cl)cc1)C(=O)ON=C[*:1]
CCCc1c(C(=O)O/N=C/c2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCc1c(cnn1[*:1])C(=O)O/N=C/c1ccc(C#N)cc1
C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)c1ccc(F)cc1 Fc1ccccc1[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)c1ccc(F)cc1
C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Sc1nc(n[nH]1)-c1ccccc1F)C(=O)[*:1]
[NH2+]=C1NC[C@@H](c2cccs2)N1c1ccc(Cl)cc1 c1csc(c1)[*:1] [NH2+]=C1NC[C@@H](N1c1ccc(Cl)cc1)[*:1]
Cc1cc(NC(=O)CN(C)C(=O)[C@H](C)CCc2cccc(F)c2)no1 Fc1cccc(c1)C[*:1] Cc1cc(no1)NC(=O)CN(C)C(=O)[C@H](C)C[*:1]
Cc1cc(NC(=O)CN(C)C(=O)[C@H](C)CCc2cccc(F)c2)no1 Fc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)CN(C)C(=O)[C@H](C)CC[*:1]
Cc1cc(NC(=O)CN(C)C(=O)[C@H](C)CCc2cccc(F)c2)no1 Cc1cc(no1)[*:1] C[C@H](CCc1cccc(F)c1)C(=O)N(C)CC(=O)N[*:1]
CC(C)NC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 CC(C)NC(=O)[*:1] OC1(CC[NH+](CC1)C[*:1])C(F)(F)F
CC(C)NC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)NC(=O)C[NH+]1CCC(O)(CC1)[*:1]
CC(C)NC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 CC(C)[*:1] O=C(C[NH+]1CCC(O)(CC1)C(F)(F)F)N[*:1]
Cc1sc2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)n(-c3ccccc3)c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)n(c(=O)c2c1C)[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)C[C@@H]1Sc2ccccc2NC1=O CCc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)C[C@@H]1Sc2ccccc2NC1=O
O=S1(=O)CCC(C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CC1 O=S1(=O)CCC(CC1)[*:1] Clc1ccc(cc1)-c1noc(CN2CC[NH+](CC2)C[*:1])n1
O=S1(=O)CCC(C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CC1 Clc1ccc(cc1)[*:1] O=S1(=O)CCC(CC1)C[NH+]1CCN(CC1)Cc1nc(no1)[*:1]
CCn1c([O-])c2ccc(C(=O)N[C@@H]3C[C@H]3C)cc2nc1=S C[C@@H]1C[C@H]1NC(=O)[*:1] CCn1c([O-])c2ccc(cc2nc1=S)[*:1]
CCc1cc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)on1 CCc1cc(on1)[*:1] O=C(NC[*:1])c1ccn(n1)-c1ccc(cc1)[N+](=O)[O-]
CCc1cc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)on1 CCc1cc(C[*:1])on1 O=C(N[*:1])c1ccn(n1)-c1ccc(cc1)[N+](=O)[O-]
CCc1cc(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)on1 O=[N+]([O-])[*:1] CCc1cc(CNC(=O)c2ccn(n2)-c2ccc(cc2)[*:1])on1
CCN(CC)C(=O)c1ccc[n+](CCC(N)=O)c1 NC(=O)C[*:1] CCN(CC)C(=O)c1ccc[n+](c1)C[*:1]
CCN(CC)C(=O)c1ccc[n+](CCC(N)=O)c1 NC(=O)CC[*:1] CCN(CC)C(=O)c1ccc[n+](c1)[*:1]
CCN(CC)C(=O)c1ccc[n+](CCC(N)=O)c1 NC(=O)[*:1] CCN(CC)C(=O)c1ccc[n+](c1)CC[*:1]
Cc1nn(C)c(C)c1CC[N-]/C(=N/C(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1C Cc1nn(C)c(C)c1C[*:1] Cc1c(Cl)cccc1N/C(=N\C(=O)c1cccc(Cl)c1)[N-]C[*:1]
Cc1nn(C)c(C)c1CC[N-]/C(=N/C(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1C Cc1c(Cl)cccc1[*:1] Cc1nn(C)c(C)c1CC[N-]/C(=N/C(=O)c1cccc(Cl)c1)N[*:1]
Cc1nn(C)c(C)c1CC[N-]/C(=N/C(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1C Clc1cccc(c1)[*:1] Cc1nn(C)c(C)c1CC[N-]/C(=N/C(=O)[*:1])Nc1cccc(Cl)c1C
Cc1nn(C)c(C)c1CC[N-]/C(=N/C(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1C Cc1nn(C)c(C)c1[*:1] Cc1c(Cl)cccc1N/C(=N\C(=O)c1cccc(Cl)c1)[N-]CC[*:1]
O=C(c1cccc2ccccc12)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 c1ccc2c(cccc2c1)[*:1] O=C(N(Cc1cccnc1)c1nc2cc3OCOc3cc2s1)[*:1]
O=C(c1cccc2ccccc12)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 c1cncc(c1)C[*:1] O=C(c1cccc2ccccc12)N(c1nc2cc3OCOc3cc2s1)[*:1]
O=C(c1cccc2ccccc12)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 c1cncc(c1)[*:1] O=C(c1cccc2ccccc12)N(C[*:1])c1nc2cc3OCOc3cc2s1
Cn1c(=O)oc2cc([C@@H](N)C(F)(F)C(F)F)ccc21 FC(F)[*:1] Cn1c(=O)oc2cc(ccc21)[C@@H](N)C(F)(F)[*:1]
Cn1c(=O)oc2cc([C@@H](N)C(F)(F)C(F)F)ccc21 FC(F)C(F)(F)[*:1] Cn1c(=O)oc2cc(ccc21)[C@@H](N)[*:1]
C[C@@H]1Cc2c(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn(C)c2NC1=O O=[N+]([O-])[*:1] C[C@@H]1Cc2c(nn(C)c2NC1=O)NC(=O)c1cc(ccc1Cl)[*:1]
CCCc1c(C[C@H]2C[C@H]3CC[C@@H]2C3)[nH+]n(C)c1N CCC[*:1] Cn1[nH+]c(C[C@H]2C[C@H]3CC[C@@H]2C3)c(c1N)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] O=C(COc1ccccc1[N+](=O)[O-])N1CCC(CC1)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])N1CCC(OCc2ccccc2F)CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(CO[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(COc1ccccc1[N+](=O)[O-])N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(COc1ccccc1[N+](=O)[O-])N1CCC(CC1)OC[*:1]
O=C(COc1ccccc1[N+](=O)[O-])N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(COc1ccccc1[N+](=O)[O-])N1CCC(CC1)O[*:1]
O=C(COc1ccccc1[N+](=O)[O-])N1CCC(OCc2ccccc2F)CC1 O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])N1CCC(CC1)OCc1ccccc1F
COC(=O)c1cccc2c1CCCN2C(=O)[C@@H](NC(=O)c1ccccc1)C(C)C CC(C)[*:1] COC(=O)c1cccc2c1CCCN2C(=O)[C@@H](NC(=O)c1ccccc1)[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)[C@@H](NC(=O)c1ccccc1)C(C)C c1ccc(cc1)[*:1] COC(=O)c1cccc2c1CCCN2C(=O)[C@@H](NC(=O)[*:1])C(C)C
COC(=O)c1cccc2c1CCCN2C(=O)[C@@H](NC(=O)c1ccccc1)C(C)C O=C(N[*:1])c1ccccc1 COC(=O)c1cccc2c1CCCN2C(=O)[C@@H](C(C)C)[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)[C@@H](NC(=O)c1ccccc1)C(C)C COC(=O)[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCc2c1cccc2[*:1]
Cc1nn2c(ncc3c(=O)n(-c4ccccc4C#N)ccc32)c1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nn2c(ncc3c(=O)n(ccc32)-c2ccccc2C#N)c1[*:1]
Cc1nn2c(ncc3c(=O)n(-c4ccccc4C#N)ccc32)c1-c1cccc(Cl)c1 N#Cc1ccccc1[*:1] Cc1nn2c(ncc3c(=O)n(ccc32)[*:1])c1-c1cccc(Cl)c1
Cc1ccc(-c2nnc3n(CCc4ccccc4)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1nnc2n(C[*:1])c3c(=O)[nH]c(=O)n(C)c3n12
Cc1ccc(-c2nnc3n(CCc4ccccc4)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1n1c(nnc1n2CCc1ccccc1)[*:1]
Cc1ccc(-c2nnc3n(CCc4ccccc4)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc2n(CC[*:1])c3c(=O)[nH]c(=O)n(C)c3n12
Cc1ccc(-c2nnc3n(CCc4ccccc4)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)-c1nnc2n(c3c(=O)[nH]c(=O)n(C)c3n12)[*:1]
CCCN1CCO[C@@H]([C@@H](Cc2ccccc2Cl)[NH2+]CC)C1 Clc1ccccc1[*:1] CCCN1CCO[C@H](C1)[C@@H](C[*:1])[NH2+]CC
CCCN1CCO[C@@H]([C@@H](Cc2ccccc2Cl)[NH2+]CC)C1 CCC[*:1] CC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CN(CCO1)[*:1]
COC(=O)c1ccccc1OC(=O)c1cccc(C)c1 COC(=O)[*:1] Cc1cccc(c1)C(=O)Oc1ccccc1[*:1]
O=C([O-])CN1CC[NH+](CC(=O)[O-])CC1 O=C([O-])[*:1] O=C([O-])C[NH+]1CCN(CC1)C[*:1]
O=C([O-])CN1CC[NH+](CC(=O)[O-])CC1 O=C([O-])C[*:1] O=C([O-])CN1CC[NH+](CC1)[*:1]
O=C([O-])CN1CC[NH+](CC(=O)[O-])CC1 O=C([O-])[*:1] O=C([O-])CN1CC[NH+](CC1)C[*:1]
O=C([O-])CN1CC[NH+](CC(=O)[O-])CC1 O=C([O-])C[*:1] O=C([O-])C[NH+]1CCN(CC1)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)Cc1ccc(F)cc1 CCC[*:1] O=C(Cc1ccc(F)cc1)N[C@H]1C[C@H]1[*:1]
O=S1(=O)CCN([C@H](CCO)c2ccsc2)CC1 OCC[*:1] O=S1(=O)CCN(CC1)[C@H](c1ccsc1)[*:1]
O=S1(=O)CCN([C@H](CCO)c2ccsc2)CC1 c1cc(cs1)[*:1] O=S1(=O)CCN(CC1)[C@H](CCO)[*:1]
C#C[C@@](C)(CC)NC(=O)Cc1cccs1 c1csc(c1)[*:1] C#C[C@@](C)(CC)NC(=O)C[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)NCCn1c(=O)oc2ccccc21 c1ccc(nc1)[*:1] C[C@@H](N(C)C(=O)NCCn1c(=O)oc2ccccc21)[*:1]
CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(F)cn1)O[C@@H](C)C2 Fc1ccc(nc1)[*:1] CCOc1cc2C[C@H](C)Oc2cc1C[NH2+][C@@H](C)[*:1]
CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(F)cn1)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)C[NH2+][C@@H](C)c1ccc(F)cn1)[*:1]
CC(C)(CNC(=O)Nc1ccc2c(c1)CCC(=O)N2)c1cccs1 c1csc(c1)[*:1] CC(C)(CNC(=O)Nc1ccc2NC(=O)CCc2c1)[*:1]
CC(C)(CNC(=O)Nc1ccc2c(c1)CCC(=O)N2)c1cccs1 CC(C)(c1cccs1)[*:1] O=C1CCc2cc(ccc2N1)NC(=O)NC[*:1]
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 Cc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(CO[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1Br Cc1cc(ccc1Br)O[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
COC(=O)c1ccc(CCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 FC(F)(F)[*:1] COC(=O)c1ccc(cc1)CCC(=O)N[C@H]1CCC[C@H](C1)[*:1]
COC(=O)c1ccc(CCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 COC(=O)[*:1] O=C(CCc1ccc(cc1)[*:1])N[C@H]1CCC[C@@H](C1)C(F)(F)F
CSCC(=O)NCC(=O)Nc1c(C)cccc1C CSC[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)[*:1]
CSCC(=O)NCC(=O)Nc1c(C)cccc1C CSCC(=O)N[*:1] Cc1cccc(C)c1NC(=O)C[*:1]
CCN(CC1CC1)c1nc2ccccn2c1[N+](=O)[O-] C1CC1C[*:1] CCN(c1nc2ccccn2c1[N+](=O)[O-])[*:1]
CCN(CC1CC1)c1nc2ccccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(CC1CC1)c1nc2ccccn2c1[*:1]
CCN(CC1CC1)c1nc2ccccn2c1[N+](=O)[O-] C1CC1[*:1] CCN(C[*:1])c1nc2ccccn2c1[N+](=O)[O-]
C[C@@H]1O[C@H](c2ccc(C3CC3)cc2)C[NH2+][C@@H]1C C1CC1[*:1] C[C@@H]1O[C@@H](C[NH2+][C@@H]1C)c1ccc(cc1)[*:1]
O=C(Cc1ccc(-n2cccc2)cc1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] O=C(Cc1ccc(cc1)-n1cccc1)NNc1ccc(cc1[N+](=O)[O-])[*:1]
O=C(Cc1ccc(-n2cccc2)cc1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] c1ccn(c1)[*:1] O=C(Cc1ccc(cc1)[*:1])NNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
O=C(Cc1ccc(-n2cccc2)cc1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)-n1cccc1)NNc1ccc(cc1[*:1])C(F)(F)F
NS(=O)(=O)c1ccc(NC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 NS(=O)(=O)[*:1] O=C(NCC1(CCCCC1)N1CCOCC1)Nc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 C1CN(CCO1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)NCC1(CCCCC1)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)cnc1NCc1cccc(Cl)c1 O=[N+]([O-])[*:1] FC(F)(F)c1cnc(NCc2cccc(Cl)c2)c(c1)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)cnc1NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=[N+]([O-])c1cc(cnc1NC[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)cnc1NCc1cccc(Cl)c1 FC(F)(F)[*:1] O=[N+]([O-])c1cc(cnc1NCc1cccc(Cl)c1)[*:1]
COc1cccc([C@@H](C)Sc2nnc(C3CC3)s2)c1 C1CC1[*:1] COc1cccc(c1)[C@@H](C)Sc1nnc(s1)[*:1]
Cc1ccc(C)c([C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)c2ccncc2)c1 c1cc(ccn1)[*:1] Cc1ccc(C)c(c1)[C@@H](NC(=O)c1cc2CCCc2[nH]c1=O)[*:1]
Cc1ccc(C)c([C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)c2ccncc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[C@@H](c1ccncc1)[*:1])c1cc2CCCc2[nH]c1=O
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C(=O)[O-])cc1 COC(=O)[*:1] COC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)C(=O)[O-])[*:1]
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(cc1)[*:1]
c1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2CN(C4CC4)CCO2)CCC3)cc1 C1CC1[*:1] c1ccc(cc1)-c1nc2CCC[C@@H]([NH2+]C[C@@H]3CN(CCO3)[*:1])c2s1
c1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2CN(C4CC4)CCO2)CCC3)cc1 c1ccc(cc1)[*:1] C1Cc2nc(sc2[C@@H](C1)[NH2+]C[C@@H]1CN(CCO1)C1CC1)[*:1]
O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 c1csc(c1)[*:1] O=C(c1ccc2OCOc2c1)[C@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 c1cc2OCOc2cc1[*:1] O=C(c1csc(n1)-c1cccs1)N1CCC[C@@H](C1)C(=O)[*:1]
O=C(NCCn1nc(-c2ccco2)ccc1=O)[C@H]1CCCN(C(=O)NCc2cccs2)C1 c1coc(c1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])[C@H]1CCCN(C1)C(=O)NCc1cccs1
O=C(NCCn1nc(-c2ccco2)ccc1=O)[C@H]1CCCN(C(=O)NCc2cccs2)C1 c1csc(c1)C[*:1] O=C(NCCn1nc(ccc1=O)-c1ccco1)[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(NCCn1nc(-c2ccco2)ccc1=O)[C@H]1CCCN(C(=O)NCc2cccs2)C1 c1csc(c1)[*:1] O=C(NCCn1nc(ccc1=O)-c1ccco1)[C@H]1CCCN(C1)C(=O)NC[*:1]
COc1cccc(COCCNC(=O)Nc2cnc3[nH]nc(C)c3c2)c1 COc1cccc(c1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NCCOC[*:1]
Cc1csc(CON=C2CCN(C(=O)C(C)C)CC2)n1 Cc1csc(n1)[*:1] CC(C)C(=O)N1CCC(CC1)=NOC[*:1]
Cc1csc(CON=C2CCN(C(=O)C(C)C)CC2)n1 CC(C)[*:1] Cc1csc(CON=C2CCN(CC2)C(=O)[*:1])n1
O=C(NC[C@H]1COc2ccccc2O1)c1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] O=C(NC[C@H]1COc2ccccc2O1)c1ccc(nc1)[*:1]
Cc1ccsc1C[NH2+]Cc1cc(-c2cccs2)cs1 Cc1ccsc1[*:1] c1csc(c1)-c1csc(c1)C[NH2+]C[*:1]
Cc1ccsc1C[NH2+]Cc1cc(-c2cccs2)cs1 c1csc(c1)[*:1] Cc1ccsc1C[NH2+]Cc1cc(cs1)[*:1]
COCc1nc(C)cc(N[C@@H](C)[C@@H](O)c2ccc(Br)cc2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N[C@@H](C)[C@@H](O)c1ccc(Br)cc1
COCc1nc(C)cc(N[C@@H](C)[C@@H](O)c2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] COCc1nc(C)cc(n1)N[C@@H](C)[C@@H](O)[*:1]
CCC[C@@H](CC(=O)OC)NC(=O)Nc1cc(C)n(C)n1 COC(=O)[*:1] CCC[C@@H](C[*:1])NC(=O)Nc1cc(C)n(C)n1
CCC[C@@H](CC(=O)OC)NC(=O)Nc1cc(C)n(C)n1 COC(=O)C[*:1] CCC[C@@H](NC(=O)Nc1cc(C)n(C)n1)[*:1]
CCC[C@@H](CC(=O)OC)NC(=O)Nc1cc(C)n(C)n1 CCC[*:1] COC(=O)C[C@@H](NC(=O)Nc1cc(C)n(C)n1)[*:1]
Cc1ccccc1C(=O)NCC(=O)N(C)CCOc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1C(=O)NCC(=O)N(C)CCO[*:1]
Cc1ccccc1C(=O)NCC(=O)N(C)CCOc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] Cc1ccccc1C(=O)NCC(=O)N(C)CC[*:1]
Cc1ccccc1C(=O)NCC(=O)N(C)CCOc1ccc(Cl)cc1 Cc1ccccc1[*:1] CN(CCOc1ccc(Cl)cc1)C(=O)CNC(=O)[*:1]
C[NH2+][C@]1(C(=O)[O-])CC[C@@H](Sc2ccc3c(c2)CCC3)C1 O=C([O-])[*:1] C[NH2+][C@@]1(CC[C@H](C1)Sc1ccc2CCCc2c1)[*:1]
C/C(=N\NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(C)(C)C CC(C)(C)[*:1] CC(=NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)[*:1]
C/C(=N\NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(C)(C)C c1ccc(cc1)C[*:1] C/C(=N\NC(=O)[C@@H]1CC(=O)N(C1)[*:1])C(C)(C)C
C/C(=N\NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(C)(C)C c1ccc(cc1)[*:1] C/C(=N\NC(=O)[C@@H]1CC(=O)N(C1)C[*:1])C(C)(C)C
CCn1c(CN2CCC(n3cccc3C(=O)OC)CC2)nc2ccccc21 COC(=O)[*:1] CCn1c(CN2CCC(CC2)n2cccc2[*:1])nc2ccccc21
CCn1c(CN2CCC(n3cccc3C(=O)OC)CC2)nc2ccccc21 COC(=O)c1cccn1[*:1] CCn1c(CN2CCC(CC2)[*:1])nc2ccccc21
CCC[NH2+][C@@H]1CCN([C@@H](C)CCCO)C1=O OCC[*:1] CCC[NH2+][C@@H]1CCN(C1=O)[C@@H](C)C[*:1]
CCC[NH2+][C@@H]1CCN([C@@H](C)CCCO)C1=O CCC[*:1] C[C@@H](CCCO)N1CC[C@@H]([NH2+][*:1])C1=O
CCC[NH2+][C@@H]1CCN([C@@H](C)CCCO)C1=O OCCC[*:1] CCC[NH2+][C@@H]1CCN(C1=O)[C@@H](C)[*:1]
OCCn1nc([C@H](O)c2ccccc2)nc1CCc1cccnc1 OCC[*:1] O[C@H](c1ccccc1)c1nc(CCc2cccnc2)n(n1)[*:1]
OCCn1nc([C@H](O)c2ccccc2)nc1CCc1cccnc1 c1ccc(cc1)[*:1] OCCn1nc(nc1CCc1cccnc1)[C@H](O)[*:1]
OCCn1nc([C@H](O)c2ccccc2)nc1CCc1cccnc1 c1cncc(c1)CC[*:1] OCCn1nc(nc1[*:1])[C@H](O)c1ccccc1
OCCn1nc([C@H](O)c2ccccc2)nc1CCc1cccnc1 O[C@H](c1ccccc1)[*:1] OCCn1nc(nc1CCc1cccnc1)[*:1]
OCCn1nc([C@H](O)c2ccccc2)nc1CCc1cccnc1 c1cncc(c1)C[*:1] OCCn1nc(nc1C[*:1])[C@H](O)c1ccccc1
OCCn1nc([C@H](O)c2ccccc2)nc1CCc1cccnc1 c1cncc(c1)[*:1] OCCn1nc(nc1CC[*:1])[C@H](O)c1ccccc1
N#C[C@H](NC(=O)CCc1nc2ccccc2s1)c1ccccc1F Fc1ccccc1[*:1] N#C[C@H](NC(=O)CCc1nc2ccccc2s1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC3(CC2)SCC(=O)N3Cc2ccco2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)SCC(=O)N2[*:1]
Cc1ccc(S(=O)(=O)N2CCC3(CC2)SCC(=O)N3Cc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)SCC(=O)N2C[*:1]
Cc1ccc(S(=O)(=O)N2CCC3(CC2)SCC(=O)N3Cc2ccco2)cc1 Cc1ccc(cc1)[*:1] O=C1CSC2(CCN(CC2)S(=O)(=O)[*:1])N1Cc1ccco1
Cn1nccc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O Cn1nccc1[*:1] O=C(Nc1cc(c[nH]c1=O)C(F)(F)F)[*:1]
Cn1nccc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O FC(F)(F)[*:1] Cn1nccc1C(=O)Nc1cc(c[nH]c1=O)[*:1]
CC(=O)c1cccc(NCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 CC(=O)[*:1] CN(C(=O)CNc1cccc(c1)[*:1])[C@H]1CCS(=O)(=O)C1
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]([NH2+]C1CCOCC1)C(C)C CC(C)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)[C@H]([NH2+]C1CCOCC1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]([NH2+]C1CCOCC1)C(C)C CNC(=O)[*:1] CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)C[C@@H](C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]([NH2+]C1CCOCC1)C(C)C CNC(=O)[C@H](C)[*:1] CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)C[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]([NH2+]C1CCOCC1)C(C)C C1CC(CCO1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)[C@H]([NH2+][*:1])C(C)C
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]([NH2+]C1CCOCC1)C(C)C CNC(=O)[C@H](C)C[*:1] CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)[*:1]
CC(C)(C)c1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1 CC(C)(C)[*:1] O=C(Nc1cc2OCCOc2cc1Cl)c1ccc(cc1)[*:1]
COC(=O)c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 COC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1
COC(=O)c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] COC(=O)c1ccc(cc1)CNC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N1CCC(CC1)NC(=O)CCc1ccccc1
C[C@@H](Oc1ccccc1)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1)C(=O)N1CCC(CC1)NC(=O)CC[*:1]
C[C@@H](Oc1ccccc1)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)N1CCC(CC1)NC(=O)CCc1ccccc1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] C[C@@H](Oc1ccccc1)C(=O)N1CCC(CC1)NC(=O)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](Oc1ccccc1)C(=O)N1CCC(CC1)NC(=O)C[*:1]
C[C@@H](Oc1ccccc1)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 C[C@@H](Oc1ccccc1)[*:1] O=C(CCc1ccccc1)NC1CCN(CC1)C(=O)[*:1]
CC(C)Cc1ncc(CN2CCS[C@@H]3COCC[C@@H]32)s1 CC(C)C[*:1] c1nc(sc1CN1CCS[C@@H]2COCC[C@@H]21)[*:1]
CC(C)Cc1ncc(CN2CCS[C@@H]3COCC[C@@H]32)s1 CC(C)[*:1] c1nc(C[*:1])sc1CN1CCS[C@@H]2COCC[C@@H]21
CC[C@@H]1Oc2ccc(C(=O)c3cccs3)cc2N(CC(=O)NC2CCCC2)C1=O O=C(C[*:1])NC1CCCC1 CC[C@@H]1Oc2ccc(cc2N(C1=O)[*:1])C(=O)c1cccs1
CC[C@@H]1Oc2ccc(C(=O)c3cccs3)cc2N(CC(=O)NC2CCCC2)C1=O O=C(NC1CCCC1)[*:1] CC[C@@H]1Oc2ccc(cc2N(C[*:1])C1=O)C(=O)c1cccs1
CC[C@@H]1Oc2ccc(C(=O)c3cccs3)cc2N(CC(=O)NC2CCCC2)C1=O c1csc(c1)[*:1] CC[C@@H]1Oc2ccc(cc2N(CC(=O)NC2CCCC2)C1=O)C(=O)[*:1]
CC[C@@H]1Oc2ccc(C(=O)c3cccs3)cc2N(CC(=O)NC2CCCC2)C1=O C1CCC(C1)[*:1] CC[C@@H]1Oc2ccc(cc2N(CC(=O)N[*:1])C1=O)C(=O)c1cccs1
CC[C@@H]1Oc2ccc(C(=O)c3cccs3)cc2N(CC(=O)NC2CCCC2)C1=O O=C(c1cccs1)[*:1] CC[C@@H]1Oc2ccc(cc2N(CC(=O)NC2CCCC2)C1=O)[*:1]
CN(c1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[NH2+]C1 FC(F)(F)[*:1] CN(c1ncc(cc1Cl)[*:1])[C@@H]1CCC[NH2+]C1
O=C([O-])COc1ccc(/C=C2/C(=O)N=C(O)N=C2O)cc1Cl O=C([O-])C[*:1] O=C1N=C(O)N=C(O)/C1=C\c1ccc(O[*:1])c(Cl)c1
O=C([O-])COc1ccc(/C=C2/C(=O)N=C(O)N=C2O)cc1Cl O=C([O-])CO[*:1] O=C1N=C(O)N=C(O)/C1=C\c1ccc(c(Cl)c1)[*:1]
O=C([O-])COc1ccc(/C=C2/C(=O)N=C(O)N=C2O)cc1Cl O=C([O-])[*:1] O=C1N=C(O)N=C(O)/C1=C\c1ccc(OC[*:1])c(Cl)c1
Fc1ccccc1CSC1=N[C@H]2[NH+]=c3ccccc3=C2N=N1 Fc1ccccc1[*:1] c1ccc2=C3N=NC(=N[C@H]3[NH+]=c2c1)SC[*:1]
COc1cc(F)cc(CNC(=O)NCCO)c1 OCC[*:1] COc1cc(F)cc(c1)CNC(=O)N[*:1]
CC(C)c1ccc([C@@H](C)CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)[*:1] C[C@@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
CC(C)c1ccc([C@@H](C)CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 O=S1(=O)CC[C@@H](C1)[*:1] CC(C)c1ccc(cc1)[C@@H](C)CC(=O)NNC(=O)[*:1]
CCn1ccc(NC(=O)c2cc(C)nc3onc(C)c23)n1 CCn1ccc(n1)[*:1] Cc1cc(C(=O)N[*:1])c2c(C)noc2n1
CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)C(=O)c1ccccc1
CC1=C(NC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)[C@H](C)N(C)N1 c1csc(c1)[*:1] CC1NN(C)[C@@H](C)C=1NC(=O)CSc1nc(c([nH]1)-c1cccs1)[*:1]
COCc1ccccc1C(=O)Nc1ccn(CCc2ccncc2)n1 c1cc(ccn1)CC[*:1] COCc1ccccc1C(=O)Nc1ccn(n1)[*:1]
COCc1ccccc1C(=O)Nc1ccn(CCc2ccncc2)n1 c1cc(ccn1)C[*:1] COCc1ccccc1C(=O)Nc1ccn(C[*:1])n1
COCc1ccccc1C(=O)Nc1ccn(CCc2ccncc2)n1 c1cc(ccn1)[*:1] COCc1ccccc1C(=O)Nc1ccn(CC[*:1])n1
COCc1ccccc1C(=O)Nc1ccn(CCc2ccncc2)n1 COC[*:1] O=C(Nc1ccn(CCc2ccncc2)n1)c1ccccc1[*:1]
Cc1ccc(-c2nc(C(=O)OCC(C)C)cs2)o1 CC(C)C[*:1] Cc1ccc(o1)-c1nc(cs1)C(=O)O[*:1]
Cc1ccc(-c2nc(C(=O)OCC(C)C)cs2)o1 Cc1ccc(o1)[*:1] CC(C)COC(=O)c1csc(n1)[*:1]
Cc1ccc(-c2nc(C(=O)OCC(C)C)cs2)o1 CC(C)[*:1] Cc1ccc(o1)-c1nc(cs1)C(=O)OC[*:1]
CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c(N2CCCCC2)c(N)n(C)c1=O CCOC(=O)[*:1] Cn1c(N)c(c(=O)n(CC(=O)Nc2ccccc2[*:1])c1=O)N1CCCCC1
CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c(N2CCCCC2)c(N)n(C)c1=O C1CCN(CC1)[*:1] CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c(c(N)n(C)c1=O)[*:1]
O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nc3ncccn3n2)C1=O Clc1ccc(cc1)[*:1] O=C1[C@H](CCCCN1C(=O)[*:1])Sc1nc2ncccn2n1
O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nc3ncccn3n2)C1=O c1cnc2nc(nn2c1)[*:1] O=C(c1ccc(Cl)cc1)N1CCCC[C@H](S[*:1])C1=O
C[C@@H]([NH2+]CCCCC(F)(F)F)c1ccnc(Cl)c1 FC(F)(F)C[*:1] C[C@@H]([NH2+]CCC[*:1])c1ccnc(Cl)c1
C[C@@H]([NH2+]CCCCC(F)(F)F)c1ccnc(Cl)c1 FC(F)(F)[*:1] C[C@@H]([NH2+]CCCC[*:1])c1ccnc(Cl)c1
C[C@@H]([NH2+]CCCCC(F)(F)F)c1ccnc(Cl)c1 FC(F)(F)CC[*:1] C[C@@H]([NH2+]CC[*:1])c1ccnc(Cl)c1
Cc1nc2ccccc2c(C)c1Cc1nc(CC(=O)NC2CCCC2)no1 C1CCC(C1)[*:1] Cc1nc2ccccc2c(C)c1Cc1nc(CC(=O)N[*:1])no1
Cc1nc2ccccc2c(C)c1Cc1nc(CC(=O)NC2CCCC2)no1 O=C(C[*:1])NC1CCCC1 Cc1nc2ccccc2c(C)c1Cc1nc(no1)[*:1]
Cc1nc2ccccc2c(C)c1Cc1nc(CC(=O)NC2CCCC2)no1 O=C(NC1CCCC1)[*:1] Cc1nc2ccccc2c(C)c1Cc1nc(C[*:1])no1
CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(F)cn2)CC1 CCCNC(=O)C[*:1] C[C@@H]([NH2+]C1CCN(CC1)[*:1])c1ccc(F)cn1
CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(F)cn2)CC1 Fc1ccc(nc1)[*:1] CCCNC(=O)CN1CCC(CC1)[NH2+][C@H](C)[*:1]
CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(F)cn2)CC1 CCCNC(=O)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C[*:1])c1ccc(F)cn1
CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(F)cn2)CC1 CCC[*:1] C[C@@H]([NH2+]C1CCN(CC1)CC(=O)N[*:1])c1ccc(F)cn1
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCSc3ccccc32)CC1 CC(C)[*:1] N#C[C@H](N1CCN(CC1)C(=O)CN1CCSc2ccccc21)[*:1]
Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4N)cc3)[nH]c2c1 Nc1ccccc1[*:1] Cc1ccc2nc([nH]c2c1)-c1ccc(cc1)NS(=O)(=O)[*:1]
CC(C)(CNC(=O)CCC(=O)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)CCC(=O)N1CCOCC1)[*:1]
C#C[C@@H](C)OC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] C#C[C@@H](C)OC(=O)c1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H](C[NH+]1CCCC1)c1ccccc1
NC(=O)c1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)N[C@H](C[NH+]1CCCC1)[*:1]
Cc1c(NC(=O)c2ccn(C3CCCC3)n2)c(C(=O)N(C)C)nn1C C1CCC(C1)[*:1] Cc1c(NC(=O)c2ccn(n2)[*:1])c(nn1C)C(=O)N(C)C
Cc1c(NC(=O)c2ccn(C3CCCC3)n2)c(C(=O)N(C)C)nn1C CN(C)C(=O)[*:1] Cc1c(NC(=O)c2ccn(n2)C2CCCC2)c(nn1C)[*:1]
Cc1nn(CCC(=O)N2N=CC[C@@]2(O)C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1nn(cc1[N+](=O)[O-])CCC(=O)N1N=CC[C@]1(O)[*:1]
Cc1nn(CCC(=O)N2N=CC[C@@]2(O)C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(cc1[*:1])CCC(=O)N1N=CC[C@@]1(O)C(F)(F)F
CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)S1 Cc1ccc(cc1)[*:1] CC(=O)NC1=NN(C(C)=O)[C@H](S1)c1ccc(OC(=O)[*:1])c(Cl)c1
CC[C@@H](NC(=O)CNC(=O)c1cccc(OC)c1)c1cccc(Cl)c1 COc1cccc(c1)[*:1] CC[C@@H](NC(=O)CNC(=O)[*:1])c1cccc(Cl)c1
CC[C@@H](NC(=O)CNC(=O)c1cccc(OC)c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)CNC(=O)c1cccc(c1)OC)[*:1]
CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCOCC2)cc1 CNS(=O)(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCOCC1
Fc1ccccc1[C@H](CCl)Cc1nccs1 c1csc(n1)[*:1] Fc1ccccc1[C@H](CCl)C[*:1]
O=C(NC1C2CC3CC(C2)CC1C3)C1CCC1 C1CC(C1)[*:1] O=C(NC1C2CC3CC(C2)CC1C3)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)CNC(=O)c2cccc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NCC(=O)N(C)[C@@H](C)[*:1]
Cc1ccc([C@H](C)N(C)C(=O)CNC(=O)c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)[C@H](C)N(C)C(=O)CNC(=O)[*:1]
CCCCCOC(=O)c1csc(-c2cnccn2)n1 c1cnc(cn1)[*:1] CCCCCOC(=O)c1csc(n1)[*:1]
CCCCCOC(=O)c1csc(-c2cnccn2)n1 CCCC[*:1] O=C(OC[*:1])c1csc(n1)-c1cnccn1
CCCCCOC(=O)c1csc(-c2cnccn2)n1 CCCCC[*:1] O=C(O[*:1])c1csc(n1)-c1cnccn1
CCCCCOC(=O)c1csc(-c2cnccn2)n1 CCC[*:1] O=C(OCC[*:1])c1csc(n1)-c1cnccn1
CC(C)(C)c1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc(Cl)c3)C2=O)cc1 Clc1cccc(c1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CC(C)(C)c1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc(Cl)c3)C2=O)cc1 CC(C)(C)[*:1] C[C@@]1(NC(=O)N(CC(=O)c2ccc(cc2)[*:1])C1=O)c1cccc(Cl)c1
C[C@@H](C[NH3+])S/C=C/C(=O)[O-] O=C([O-])[*:1] C[C@@H](C[NH3+])SC=C[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 C(=C/c1ccccc1)\C[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N(c1ccc2OCCOc2c1)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N(CC=C[*:1])c1ccc2OCCOc2c1
O=C(c1cccc([N+](=O)[O-])c1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])N(C/C=C/c1ccccc1)c1ccc2OCCOc2c1
O=C(c1cccc([N+](=O)[O-])c1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 O=[N+]([O-])c1cccc(c1)[*:1] O=C(N(C/C=C/c1ccccc1)c1ccc2OCCOc2c1)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 C(=C[*:1])c1ccccc1 O=C(c1cccc(c1)[N+](=O)[O-])N(C[*:1])c1ccc2OCCOc2c1
O=C(c1cccc([N+](=O)[O-])c1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N(C/C=C/c1ccccc1)[*:1]
COC(=O)c1cccc(N[C@H]2CCC[C@@H]2SC)n1 COC(=O)[*:1] CS[C@H]1CCC[C@@H]1Nc1cccc(n1)[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)c1ccccc1I CCOC(=O)[*:1] O=C(NC1=c2ccccc2=[NH+][C@@H]1[*:1])c1ccccc1I
CCOC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)c1ccccc1I Ic1ccccc1[*:1] CCOC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)[*:1]
O=C1CN(C(=O)c2cn3ccccc3n2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1CN(C[C@H](CN1C[*:1])OCc1ccccn1)C(=O)c1cn2ccccc2n1
O=C1CN(C(=O)c2cn3ccccc3n2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 c1ccc(C[*:1])nc1 O=C1CN(C[C@H](CN1Cc1ccccc1)O[*:1])C(=O)c1cn2ccccc2n1
O=C1CN(C(=O)c2cn3ccccc3n2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 c1ccc(CO[*:1])nc1 O=C1CN(C[C@@H](CN1Cc1ccccc1)[*:1])C(=O)c1cn2ccccc2n1
O=C1CN(C(=O)c2cn3ccccc3n2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 c1ccc(nc1)[*:1] O=C1CN(C[C@H](CN1Cc1ccccc1)OC[*:1])C(=O)c1cn2ccccc2n1
O=C1CN(C(=O)c2cn3ccccc3n2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 c1ccn2cc(nc2c1)[*:1] O=C1CN(C[C@H](CN1Cc1ccccc1)OCc1ccccn1)C(=O)[*:1]
O=C1CN(C(=O)c2cn3ccccc3n2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1cn2ccccc2n1)N1CC(=O)N(C[C@@H](C1)OCc1ccccn1)[*:1]
CCCC(=O)NNC(=S)NC(=O)c1ccc(C)c(I)c1 CCC[*:1] Cc1ccc(cc1I)C(=O)NC(=S)NNC(=O)[*:1]
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(c1)NC(=O)[*:1]
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 c1csc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1cccc(c1)NC(=O)[C@@H]1CCCO1
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 O=C(N[*:1])[C@@H]1CCCO1 O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(c1)[*:1]
CC[C@@](C)([C@H](N)Cc1ccncc1)[NH+]1CCCC1 c1cc(ccn1)[*:1] CC[C@@](C)([C@H](N)C[*:1])[NH+]1CCCC1
C[C@H](SC[C@@H](O)CO)C(=O)NC1CCCC1 OC[C@H](O)[*:1] C[C@H](SC[*:1])C(=O)NC1CCCC1
C[C@H](SC[C@@H](O)CO)C(=O)NC1CCCC1 OC[C@H](O)C[*:1] C[C@H](S[*:1])C(=O)NC1CCCC1
C[C@H](SC[C@@H](O)CO)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@H](SC[C@@H](O)CO)C(=O)N[*:1]
CO[C@]1(C)C[C@@H](NC(=O)CCNS(C)(=O)=O)C1(C)C CS(=O)(=O)NC[*:1] CO[C@]1(C)C[C@@H](NC(=O)C[*:1])C1(C)C
CO[C@]1(C)C[C@@H](NC(=O)CCNS(C)(=O)=O)C1(C)C CS(=O)(=O)N[*:1] CO[C@]1(C)C[C@@H](NC(=O)CC[*:1])C1(C)C
O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(c2nc3c(F)cccc3s2)C1 Clc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nc2c(F)cccc2s1
C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2ccc(O)cc2)C1 Oc1ccc(cc1)[*:1] C[C@@]1(CCC(=O)N(CC[*:1])C1)Cc1ccc2OCOc2c1
C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2ccc(O)cc2)C1 c1cc2OCOc2cc1[*:1] C[C@@]1(CCC(=O)N(CCc2ccc(O)cc2)C1)C[*:1]
C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2ccc(O)cc2)C1 Oc1ccc(cc1)C[*:1] C[C@@]1(CCC(=O)N(C1)C[*:1])Cc1ccc2OCOc2c1
C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2ccc(O)cc2)C1 Oc1ccc(cc1)CC[*:1] C[C@@]1(CCC(=O)N(C1)[*:1])Cc1ccc2OCOc2c1
O=C(CCc1cn2ccccc2n1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 C1CC1C[*:1] O=C(CCc1cn2ccccc2n1)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
O=C(CCc1cn2ccccc2n1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 C1CC1[*:1] O=C(CCc1cn2ccccc2n1)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
O=C(CCc1cn2ccccc2n1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 c1ccn2cc(nc2c1)[*:1] O=C(CC[*:1])N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
COc1cccc([C@H]2CN(Cc3cc(OC)c(OC)cc3C)CCO2)c1 COc1cccc(c1)[*:1] COc1cc(C)c(cc1OC)CN1CCO[C@H](C1)[*:1]
CCCOc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCCOc1ccccc1NC(=O)C(=O)N[C@H](C)[*:1]
CCCOc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(F)c(F)c1 CCC[*:1] C[C@@H](NC(=O)C(=O)Nc1ccccc1O[*:1])c1ccc(F)c(F)c1
CCCOc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(F)c(F)c1 CCCO[*:1] C[C@@H](NC(=O)C(=O)Nc1ccccc1[*:1])c1ccc(F)c(F)c1
COc1cccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1OC(F)F CS(=O)(=O)[*:1] COc1cccc(C[NH2+][C@@H]2CCC[C@H](C2)[*:1])c1OC(F)F
COc1cccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1OC(F)F FC(F)[*:1] COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C2)S(C)(=O)=O)c1O[*:1]
COc1cccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1OC(F)F FC(F)O[*:1] COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C2)S(C)(=O)=O)c1[*:1]
Cc1cc(C)c(CNC(=O)CCCc2nc(C(C)C)no2)c(=O)[nH]1 CC(C)[*:1] Cc1cc(C)c(CNC(=O)CCCc2nc(no2)[*:1])c(=O)[nH]1
Cc1cc(C)c(CNC(=O)CCCc2nc(C(C)C)no2)c(=O)[nH]1 CC(C)c1noc(n1)[*:1] Cc1cc(C)c(CNC(=O)CCC[*:1])c(=O)[nH]1
COC[C@H](C)OC(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] COC[C@H](C)OC(=O)c1cc(ccc1Cl)[*:1]
COC[C@H](C)OC(=O)c1cc(N2CCCC2=O)ccc1Cl COC[C@H](C)[*:1] O=C(O[*:1])c1cc(ccc1Cl)N1CCCC1=O
COC[C@H](C)OC(=O)c1cc(N2CCCC2=O)ccc1Cl COC[*:1] C[C@H](OC(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
Cc1cccc(C)c1NC(=O)c1cccc(NC(=O)[C@H](C)n2cccc2)c1 Cc1cccc(C)c1[*:1] C[C@@H](C(=O)Nc1cccc(c1)C(=O)N[*:1])n1cccc1
Cc1cccc(C)c1NC(=O)c1cccc(NC(=O)[C@H](C)n2cccc2)c1 c1ccn(c1)[*:1] Cc1cccc(C)c1NC(=O)c1cccc(c1)NC(=O)[C@H](C)[*:1]
CN(C)C(=O)c1ccc(CN2CCN(CC(F)(F)C(F)F)CC2)[nH]1 CN(C)C(=O)[*:1] FC(F)C(F)(F)CN1CCN(CC1)Cc1ccc([nH]1)[*:1]
CN(C)C(=O)c1ccc(CN2CCN(CC(F)(F)C(F)F)CC2)[nH]1 FC(F)C(F)(F)C[*:1] CN(C)C(=O)c1ccc(CN2CCN(CC2)[*:1])[nH]1
CN(C)C(=O)c1ccc(CN2CCN(CC(F)(F)C(F)F)CC2)[nH]1 FC(F)[*:1] CN(C)C(=O)c1ccc(CN2CCN(CC2)CC(F)(F)[*:1])[nH]1
CN(C)C(=O)c1ccc(CN2CCN(CC(F)(F)C(F)F)CC2)[nH]1 FC(F)C(F)(F)[*:1] CN(C)C(=O)c1ccc(CN2CCN(CC2)C[*:1])[nH]1
Cc1ccn2cc(CNC(=O)CCc3cnccn3)nc2c1 c1cnc(cn1)[*:1] Cc1ccn2cc(CNC(=O)CC[*:1])nc2c1
Cc1ccn2cc(CNC(=O)CCc3cnccn3)nc2c1 c1cnc(cn1)C[*:1] Cc1ccn2cc(CNC(=O)C[*:1])nc2c1
CC[C@](C)(NC(=O)N(C)[C@@H](C)c1ccccc1F)C(=O)[O-] Fc1ccccc1[*:1] CC[C@](C)(NC(=O)N(C)[C@@H](C)[*:1])C(=O)[O-]
CC[C@](C)(NC(=O)N(C)[C@@H](C)c1ccccc1F)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)N(C)[C@@H](C)c1ccccc1F)[*:1]
O=C(C[NH2+]CC1CC1)N[C@@H]1CCCCC[C@H]1C(=O)[O-] C1CC1C[*:1] O=C(C[NH2+][*:1])N[C@@H]1CCCCC[C@H]1C(=O)[O-]
O=C(C[NH2+]CC1CC1)N[C@@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(C[NH2+]CC1CC1)N[C@@H]1CCCCC[C@@H]1[*:1]
O=C(C[NH2+]CC1CC1)N[C@@H]1CCCCC[C@H]1C(=O)[O-] C1CC1[*:1] O=C(C[NH2+]C[*:1])N[C@@H]1CCCCC[C@H]1C(=O)[O-]
O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(CSc1nc(n[nH]1)-c1cccnc1)Nc1ccc(cc1)[*:1]
O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(CSc1nc(n[nH]1)-c1cccnc1)Nc1ccc(cc1)O[*:1]
O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccc(OC(F)F)cc1 c1cncc(c1)[*:1] O=C(CSc1nc(n[nH]1)[*:1])Nc1ccc(cc1)OC(F)F
Cc1cc(COC(=O)c2cc3cnn(C(C)C)c3nc2C)no1 Cc1cc(C[*:1])no1 Cc1nc2c(cnn2C(C)C)cc1C(=O)O[*:1]
Cc1cc(COC(=O)c2cc3cnn(C(C)C)c3nc2C)no1 CC(C)[*:1] Cc1cc(COC(=O)c2cc3cnn(c3nc2C)[*:1])no1
Cc1cc(COC(=O)c2cc3cnn(C(C)C)c3nc2C)no1 Cc1cc(no1)[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)OC[*:1]
O=Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1O FC(F)(F)[*:1] O=Cc1cc(ccc1O)-c1ccc(cc1)O[*:1]
O=Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1O FC(F)(F)O[*:1] O=Cc1cc(ccc1O)-c1ccc(cc1)[*:1]
Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 O=C1CCC(=O)N1[*:1] Cc1ccc2nc(sc2c1)N(CC[NH+](C)C)C(=O)c1ccc(cc1)[*:1]
Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] C[NH+](C)CCN(C(=O)c1ccc(cc1)N1C(=O)CCC1=O)[*:1]
O=C(Cc1ccc[nH]1)N1CCc2sccc2C1 c1c[nH]c(c1)[*:1] O=C(C[*:1])N1CCc2sccc2C1
c1ccc(CCc2nc(CC3=c4ccccc4=[NH+]C3)n[nH]2)cc1 c1ccc(cc1)C[*:1] c1ccc2=C(C[NH+]=c2c1)Cc1n[nH]c(C[*:1])n1
c1ccc(CCc2nc(CC3=c4ccccc4=[NH+]C3)n[nH]2)cc1 c1ccc(cc1)[*:1] c1ccc2=C(C[NH+]=c2c1)Cc1n[nH]c(CC[*:1])n1
COc1ccc(/C(C)=C/C(=O)NNC(=S)NC2CCCCC2)cc1 COc1ccc(cc1)[*:1] CC(=CC(=O)NNC(=S)NC1CCCCC1)[*:1]
COc1ccc(/C(C)=C/C(=O)NNC(=S)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)/C(C)=C/C(=O)NNC(=S)N[*:1]
CC(C)[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@@H](Sc1nnc(-c2ccco2)n1C)[*:1]
CC(C)[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)N1CCCC1 c1coc(c1)[*:1] CC(C)[C@@H](Sc1nnc(n1C)[*:1])C(=O)N1CCCC1
CC(C)[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)N1CCCC1 CC(C)[*:1] Cn1c(nnc1-c1ccco1)S[C@@H](C(=O)N1CCCC1)[*:1]
CC(C)c1nnc(CN[C@H](C2CCCC2)C(F)(F)F)o1 C1CCC(C1)[*:1] CC(C)c1nnc(CN[C@H](C(F)(F)F)[*:1])o1
CC(C)c1nnc(CN[C@H](C2CCCC2)C(F)(F)F)o1 CC(C)[*:1] FC(F)(F)[C@H](NCc1nnc(o1)[*:1])C1CCCC1
CC(C)c1nnc(CN[C@H](C2CCCC2)C(F)(F)F)o1 FC(F)(F)[*:1] CC(C)c1nnc(CN[C@H](C2CCCC2)[*:1])o1
COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@@H](c2cc(F)cc(F)c2)C4)cc1 COc1ccc(cc1)[*:1] Cc1nn2c3C[C@@H](CC(=O)c3cnc2c1[*:1])c1cc(F)cc(F)c1
COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@@H](c2cc(F)cc(F)c2)C4)cc1 Fc1cc(F)cc(c1)[*:1] COc1ccc(cc1)-c1c(C)nn2c3C[C@H](CC(=O)c3cnc12)[*:1]
CSc1cccc(/N=C2\S/C(=C\c3cccnc3)C(=O)N2C)c1 c1cncc(c1)[*:1] CSc1cccc(c1)/N=C1\SC(=C[*:1])C(=O)N1C
O=C(C[C@@H]1SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1C(=O)S[C@@H](CC(=O)N[*:1])C1=O)Nc1ccc(F)cc1
O=C(C[C@@H]1SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[C@@H]1SC(=O)N(CC(=O)N[*:1])C1=O)Nc1ccc(F)cc1
Cc1ccccc1-c1noc(CN2CCc3ccccc32)n1 Cc1ccccc1[*:1] c1ccc2c(c1)CCN2Cc1nc(no1)[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)N[C@H]1CCc2c(O)cccc21 CC(C)OC(=O)[*:1] C[C@@H](CNC(=O)N[C@H]1CCc2c(O)cccc21)[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)N[C@H]1CCc2c(O)cccc21 CC(C)[*:1] C[C@@H](CNC(=O)N[C@H]1CCc2c(O)cccc21)C(=O)O[*:1]
C[C@@H](C(=O)NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 Fc1ccc(cc1)C[*:1] C[C@@H](C(=O)N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
C[C@@H](C(=O)NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] C[C@@H](C(=O)NCc1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](C(=O)NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
Cc1cc(NC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)on1 Cc1cc(on1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)CN1CCN(CC1)C(=O)N[*:1]
Cc1ccc(-c2ncc(CN3CCN(c4ncnc5ccsc45)CC3)s2)o1 Cc1ccc(o1)[*:1] c1nc(c2sccc2n1)N1CCN(CC1)Cc1cnc(s1)[*:1]
Cc1ccc(-c2ncc(CN3CCN(c4ncnc5ccsc45)CC3)s2)o1 c1nc(c2sccc2n1)[*:1] Cc1ccc(o1)-c1ncc(CN2CCN(CC2)[*:1])s1
C[C@@H](CC(=O)[O-])CC(=O)N1C[C@H](C)C[C@@H](C)C1 O=C([O-])[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)C[C@@H](C)C[*:1]
C[C@@H](CC(=O)[O-])CC(=O)N1C[C@H](C)C[C@@H](C)C1 O=C([O-])C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)C[C@H](C)[*:1]
Cn1nnnc1SCCNC(=O)c1c[nH]nc1-c1cccc(F)c1 Cn1nnnc1SC[*:1] O=C(NC[*:1])c1c[nH]nc1-c1cccc(F)c1
Cn1nnnc1SCCNC(=O)c1c[nH]nc1-c1cccc(F)c1 Cn1nnnc1S[*:1] O=C(NCC[*:1])c1c[nH]nc1-c1cccc(F)c1
Cn1nnnc1SCCNC(=O)c1c[nH]nc1-c1cccc(F)c1 Cn1nnnc1[*:1] O=C(NCCS[*:1])c1c[nH]nc1-c1cccc(F)c1
Cn1nnnc1SCCNC(=O)c1c[nH]nc1-c1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1nnnc1SCCNC(=O)c1c[nH]nc1[*:1]
Cn1cnnc1-c1cncc(NCc2cccc(-c3ccncc3)c2)c1 Cn1cnnc1[*:1] c1cc(cc(c1)-c1ccncc1)CNc1cncc(c1)[*:1]
Cn1cnnc1-c1cncc(NCc2cccc(-c3ccncc3)c2)c1 c1cc(ccn1)[*:1] Cn1cnnc1-c1cncc(c1)NCc1cccc(c1)[*:1]
CCN(C(=O)[C@H](C)N1CC[NH2+]CC1)C1CC1 C1CC1[*:1] CCN(C(=O)[C@H](C)N1CC[NH2+]CC1)[*:1]
Cn1c(=O)c2c(nc(N3CCN(C(=O)c4ccccc4F)CC3)n2Cc2ccc(F)cc2)n(C)c1=O Fc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(N3CCN(CC3)C(=O)c3ccccc3F)n2C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCN(C(=O)c4ccccc4F)CC3)n2Cc2ccc(F)cc2)n(C)c1=O Fc1ccccc1[*:1] Cn1c(=O)c2c(nc(N3CCN(CC3)C(=O)[*:1])n2Cc2ccc(F)cc2)n(C)c1=O
Cn1c(=O)c2c(nc(N3CCN(C(=O)c4ccccc4F)CC3)n2Cc2ccc(F)cc2)n(C)c1=O Fc1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(N3CCN(CC3)C(=O)c3ccccc3F)n2[*:1])n(C)c1=O
COC[C@H](NC(=O)[C@@H](C)c1cccnc1)c1ccc(F)c(F)c1 COC[*:1] C[C@H](C(=O)N[C@H](c1ccc(F)c(F)c1)[*:1])c1cccnc1
COC[C@H](NC(=O)[C@@H](C)c1cccnc1)c1ccc(F)c(F)c1 c1cncc(c1)[*:1] COC[C@H](NC(=O)[C@@H](C)[*:1])c1ccc(F)c(F)c1
O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(-n2ccnc2)cc1 FC(F)(F)[*:1] O=C(Cc1cccc(c1)[*:1])NCc1ccc(cc1)-n1ccnc1
O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] O=C(Cc1cccc(c1)C(F)(F)F)NCc1ccc(cc1)[*:1]
Cc1cnc([C@@H](C)NC(=O)NCC(=O)NC2CCCCC2)s1 C1CCC(CC1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NCC(=O)N[*:1]
Cc1cnc([C@@H](C)NC(=O)NCC(=O)NC2CCCCC2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)NCC(=O)NC1CCCCC1)[*:1]
CCCNC(=O)C(=O)NCCc1csc2nc(-c3cccs3)nn12 CCC[*:1] O=C(NCCc1csc2nc(nn12)-c1cccs1)C(=O)N[*:1]
CCCNC(=O)C(=O)NCCc1csc2nc(-c3cccs3)nn12 c1csc(c1)[*:1] CCCNC(=O)C(=O)NCCc1csc2nc(nn12)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)n2nc(-c3ccco3)oc2=O)cc1 c1coc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](C)n1nc(oc1=O)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)n2nc(-c3ccco3)oc2=O)cc1 CC(=O)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])n1nc(oc1=O)-c1ccco1
CCC[C@H]1c2cccn2CCN1C(=O)Nc1ccc(C)cc1C CCC[*:1] Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2[*:1])c(C)c1
CN1C(=O)/C(=C/c2ccccc2O)S/C1=N\c1ccncc1Cl Clc1cnccc1[*:1] CN1C(=O)/C(=C/c2ccccc2O)SC1=N[*:1]
CN1C(=O)/C(=C/c2ccccc2O)S/C1=N\c1ccncc1Cl Oc1ccccc1[*:1] CN1C(=O)C(=C[*:1])S/C1=N\c1ccncc1Cl
C[C@H](OC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@H](OC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C(=O)NC[*:1]
C[C@H](OC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCC(F)(F)F Clc1ccc(cc1)[*:1] C[C@H](OC(=O)c1ccc(o1)[*:1])C(=O)NCC(F)(F)F
C[C@H](OC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@H](OC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C(=O)N[*:1]
C[C@H](OC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] C[C@H](OC(=O)c1ccc(o1)-c1ccc(Cl)cc1)[*:1]
Cc1nc(NCCNC(=O)C(C)(C)C)c2c3c(sc2n1)CCCC3 CC(C)(C)[*:1] Cc1nc(NCCNC(=O)[*:1])c2c3CCCCc3sc2n1
Cc1nc(NCCNC(=O)C(C)(C)C)c2c3c(sc2n1)CCCC3 CC(C)(C)C(=O)NC[*:1] Cc1nc(NC[*:1])c2c3CCCCc3sc2n1
Cc1nc(NCCNC(=O)C(C)(C)C)c2c3c(sc2n1)CCCC3 CC(C)(C)C(=O)N[*:1] Cc1nc(NCC[*:1])c2c3CCCCc3sc2n1
CC(C)CC1(CNC(=O)N[C@H](C)CC(=O)[O-])CCCC1 CC(C)C[*:1] C[C@H](CC(=O)[O-])NC(=O)NCC1(CCCC1)[*:1]
CC(C)CC1(CNC(=O)N[C@H](C)CC(=O)[O-])CCCC1 O=C([O-])C[*:1] CC(C)CC1(CCCC1)CNC(=O)N[C@H](C)[*:1]
CC(C)CC1(CNC(=O)N[C@H](C)CC(=O)[O-])CCCC1 CC(C)[*:1] C[C@H](CC(=O)[O-])NC(=O)NCC1(CCCC1)C[*:1]
CC(C)CC1(CNC(=O)N[C@H](C)CC(=O)[O-])CCCC1 O=C([O-])[*:1] CC(C)CC1(CCCC1)CNC(=O)N[C@H](C)C[*:1]
CC(C)=CCN1CCN(CC(=O)NCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 CC(C)=CC[*:1] O=C(CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1])NCc1ccccc1
CC(C)=CCN1CCN(CC(=O)NCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 c1ccc(cc1)[*:1] CC(C)=CCN1CCN(CC(=O)NC[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CC(C)=CCN1CCN(CC(=O)NCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 c1ccc(cc1)C[*:1] CC(C)=CCN1CCN(CC(=O)N[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CC(C)=CCN1CCN(CC(=O)NCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 CC(C)=C[*:1] O=C(CN1CCN(C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21)NCc1ccccc1
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccc1O NC(=O)[*:1] O=C(N[C@H]1CCC[C@H]1[*:1])c1cc(Cl)ccc1O
CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)/C=C/c1ccccc1)C2 c1ccc(cc1)[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@H](C2)NC(=O)C=C[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)/C=C/c1ccco1 C(=C[*:1])c1ccco1 C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)/C=C/c1ccco1 c1coc(c1)[*:1] C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C=C[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)/C=C/c1ccco1 Clc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)C(=O)/C=C/c1ccco1
CCn1c([C@@H](C)N[C@@H](C)c2ccccc2F)nc2ccccc21 Fc1ccccc1[*:1] CCn1c(nc2ccccc21)[C@@H](C)N[C@@H](C)[*:1]
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 Fc1c(F)c(F)c(c(F)c1F)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)N1CCN(CC1)[*:1]
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 C1CCN(C1)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])[*:1])N1CCN(CC1)c1c(F)c(F)c(F)c(F)c1F
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(c(c1)[*:1])N1CCCC1)N1CCN(CC1)c1c(F)c(F)c(F)c(F)c1F
Cc1cccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccc(F)cc2)c2ccccc23)c1 Cc1cccc(c1)[*:1] O=C1CS[C@@]2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1[*:1]
Cc1cccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccc(F)cc2)c2ccccc23)c1 Fc1ccc(cc1)C[*:1] Cc1cccc(c1)N1C(=O)CS[C@@]12C(=O)N(c1ccccc12)[*:1]
Cc1cccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccc(F)cc2)c2ccccc23)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)N1C(=O)CS[C@@]12C(=O)N(C[*:1])c1ccccc12
COc1ccc(NC(C)=O)cc1NCc1csc(C)n1 Cc1nc(cs1)[*:1] COc1ccc(cc1NC[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NCc1csc(C)n1 CC(=O)N[*:1] COc1ccc(cc1NCc1csc(C)n1)[*:1]
COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O C[C@@H](O)C[*:1] COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1[*:1]
COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O COc1ccccc1[*:1] C[C@H](Sc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O)C(=O)N[*:1]
COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O C[C@@H](O)[*:1] COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1C[*:1]
CC[C@H](CCO)NC(=O)Nc1nnc(Cc2cccc(F)c2)s1 OCC[*:1] CC[C@H](NC(=O)Nc1nnc(Cc2cccc(F)c2)s1)[*:1]
CC[C@H](CCO)NC(=O)Nc1nnc(Cc2cccc(F)c2)s1 Fc1cccc(c1)[*:1] CC[C@H](CCO)NC(=O)Nc1nnc(C[*:1])s1
CC(C)C[C@@H](CNc1ccc(C(N)=O)cc1)C(=O)[O-] CC(C)[*:1] NC(=O)c1ccc(cc1)NC[C@H](C[*:1])C(=O)[O-]
CC(C)C[C@@H](CNc1ccc(C(N)=O)cc1)C(=O)[O-] NC(=O)[*:1] CC(C)C[C@@H](CNc1ccc(cc1)[*:1])C(=O)[O-]
CC(C)C[C@@H](CNc1ccc(C(N)=O)cc1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](CNc1ccc(cc1)C(N)=O)[*:1]
CC(C)C[C@@H](CNc1ccc(C(N)=O)cc1)C(=O)[O-] CC(C)C[*:1] NC(=O)c1ccc(cc1)NC[C@@H](C(=O)[O-])[*:1]
CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@@H]1c1ccccc1)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@@H]1c1ccccc1)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@@H]1c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@H]1[*:1])c1cccs1
CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@@H]1c1ccccc1)c1cccs1 CC(=O)N[*:1] CN1CCN(C(=O)C[C@@H](c2cccs2)[*:1])[C@H](C1)c1ccccc1
O=C(CC1CCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 C1CCC(C1)C[*:1] O=C(Nc1cccc(c1)S(=O)(=O)[N-]c1ccccc1F)[*:1]
O=C(CC1CCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 C1CCC(C1)[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)[N-]c1ccccc1F
O=C(CC1CCCC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 Fc1ccccc1[*:1] O=C(CC1CCCC1)Nc1cccc(c1)S(=O)(=O)[N-][*:1]
N#Cc1ccccc1OCc1nc(-c2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] N#Cc1ccccc1OCc1nc(no1)-c1cccc(c1)[*:1]
N#Cc1ccccc1OCc1nc(-c2cccc(C(F)(F)F)c2)no1 N#Cc1ccccc1[*:1] FC(F)(F)c1cccc(c1)-c1noc(CO[*:1])n1
COc1ccc(S(=O)(=O)Cc2nc(-c3ccco3)no2)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)S(=O)(=O)Cc1nc(no1)[*:1]
N#Cc1cccc(NC(=O)NCc2nc(-c3ccccc3)cs2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)NCc1nc(cs1)[*:1]
N#Cc1cccc(NC(=O)NCc2nc(-c3ccccc3)cs2)c1 N#Cc1cccc(c1)[*:1] O=C(NCc1nc(cs1)-c1ccccc1)N[*:1]
C[C@@H](CNC(=O)C1CCN(C(=O)C(C)(C)C)CC1)N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] C[C@@H](CNC(=O)C1CCN(CC1)C(=O)C(C)(C)C)[*:1]
C[C@@H](CNC(=O)C1CCN(C(=O)C(C)(C)C)CC1)N1CCc2ccccc21 CC(C)(C)[*:1] C[C@@H](CNC(=O)C1CCN(CC1)C(=O)[*:1])N1CCc2ccccc21
CCCOc1cc(C)ccc1NC(=O)c1cccc(F)c1Cl CCC[*:1] Cc1ccc(NC(=O)c2cccc(F)c2Cl)c(c1)O[*:1]
CCCOc1cc(C)ccc1NC(=O)c1cccc(F)c1Cl CCCO[*:1] Cc1ccc(NC(=O)c2cccc(F)c2Cl)c(c1)[*:1]
CCn1cc(C(=O)Nc2cc(C)nn2Cc2ccccn2)cn1 CCn1cc(cn1)[*:1] Cc1cc(NC(=O)[*:1])n(Cc2ccccn2)n1
CCn1cc(C(=O)Nc2cc(C)nn2Cc2ccccn2)cn1 c1ccc(nc1)[*:1] CCn1cc(cn1)C(=O)Nc1cc(C)nn1C[*:1]
CCn1cc(C(=O)Nc2cc(C)nn2Cc2ccccn2)cn1 c1ccc(C[*:1])nc1 CCn1cc(cn1)C(=O)Nc1cc(C)nn1[*:1]
COc1cccc2c1OC[C@H](NC(=O)Cc1ccccc1C)C2 Cc1ccccc1[*:1] COc1cccc2C[C@H](COc21)NC(=O)C[*:1]
COc1ccc([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)cc1COc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)O[*:1] COc1ccc(cc1C[*:1])[C@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C21
COc1ccc([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)cc1COc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)OC[*:1] COc1ccc(cc1[*:1])[C@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C21
COc1ccc([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)cc1COc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1CO[*:1])[C@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C21
CCN(CC)C(=O)[C@@H]1CCCN(C(=O)[C@@H]2C=C(COc3cccc(F)c3)N=N2)C1 Fc1cccc(c1)OC[*:1] CCN(CC)C(=O)[C@@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)[*:1]
CCN(CC)C(=O)[C@@H]1CCCN(C(=O)[C@@H]2C=C(COc3cccc(F)c3)N=N2)C1 Fc1cccc(c1)O[*:1] CCN(CC)C(=O)[C@@H]1CCCN(C1)C(=O)[C@@H]1C=C(C[*:1])N=N1
CCN(CC)C(=O)[C@@H]1CCCN(C(=O)[C@@H]2C=C(COc3cccc(F)c3)N=N2)C1 CCN(CC)C(=O)[*:1] O=C([C@@H]1C=C(COc2cccc(F)c2)N=N1)N1CCC[C@H](C1)[*:1]
CCN(CC)C(=O)[C@@H]1CCCN(C(=O)[C@@H]2C=C(COc3cccc(F)c3)N=N2)C1 Fc1cccc(c1)[*:1] CCN(CC)C(=O)[C@@H]1CCCN(C1)C(=O)[C@@H]1C=C(CO[*:1])N=N1
COCCNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COCCNc1ncnc(c1[*:1])N1CCc2ccccc21
COCCNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] COCC[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc21)N[*:1]
COCCNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] COC[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc21)NC[*:1]
COCCNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] COCCN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCc2ccccc21
C[C@@H](O)CC(C)(C)CNC(=O)Nc1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] C[C@@H](O)CC(C)(C)CNC(=O)Nc1cnn(c1)[*:1]
CC1(C)CCC(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 C1CC1[*:1] CC1(C)CCC(CC1)NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1C c1cc2OCOc2cc1[*:1] Cc1ccc(cc1C)NC(=O)COCc1cc(on1)[*:1]
Cc1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1C Cc1ccc(cc1C)[*:1] O=C(COCc1cc(on1)-c1ccc2OCOc2c1)N[*:1]
COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)NCC(C)C CC(C)[*:1] COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)NC[*:1]
COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)NCC(C)C CC(C)CNC(=O)[*:1] COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1[*:1]
COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)NCC(C)C CC(C)C[*:1] COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)N[*:1]
O=C(C[C@@H]1CCCO1)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 C1CO[C@@H](C1)[*:1] O=C(C[*:1])N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1
O=C(C[C@@H]1CCCO1)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1CCCO1)N[C@H]1[C@H]2CCCC[C@@H]2[C@H]1[*:1]
O=C(C[C@@H]1CCCO1)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 C1CO[C@@H](C1)C[*:1] O=C(N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1)[*:1]
Cc1cccc(OCc2ccc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)o2)c1 Cc1cccc(c1)O[*:1] CN(C(=O)c1ccc(C[*:1])o1)[C@@H]1CCS(=O)(=O)C1
Cc1cccc(OCc2ccc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)o2)c1 Cc1cccc(c1)[*:1] CN(C(=O)c1ccc(CO[*:1])o1)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(-c2nc(CC(=O)NC3CCCCCCC3)cs2)o1 Cc1ccc(o1)[*:1] O=C(Cc1csc(n1)[*:1])NC1CCCCCCC1
CCOC(=O)c1ccnc2nc(N)sc12 CCOC(=O)[*:1] Nc1nc2nccc(c2s1)[*:1]
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@H]1CC(=O)N(C)C1)C1CC1 C1CC1[*:1] C[C@@H](c1cccc(c1)C(F)(F)F)N(C(=O)[C@H]1CC(=O)N(C)C1)[*:1]
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@H]1CC(=O)N(C)C1)C1CC1 FC(F)(F)[*:1] C[C@@H](c1cccc(c1)[*:1])N(C(=O)[C@H]1CC(=O)N(C)C1)C1CC1
Cc1ccc(OCc2cccc(C(=O)N(C)c3nccs3)c2)cn1 Cc1ccc(cn1)O[*:1] CN(C(=O)c1cccc(c1)C[*:1])c1nccs1
Cc1ccc(OCc2cccc(C(=O)N(C)c3nccs3)c2)cn1 c1csc(n1)[*:1] Cc1ccc(cn1)OCc1cccc(c1)C(=O)N(C)[*:1]
Cc1ccc(OCc2cccc(C(=O)N(C)c3nccs3)c2)cn1 Cc1ccc(cn1)[*:1] CN(C(=O)c1cccc(c1)CO[*:1])c1nccs1
Cc1ccccc1CC(C)(C)NC(=O)Cn1ccc(C(F)(F)F)n1 FC(F)(F)[*:1] Cc1ccccc1CC(C)(C)NC(=O)Cn1ccc(n1)[*:1]
Cc1ccccc1CC(C)(C)NC(=O)Cn1ccc(C(F)(F)F)n1 Cc1ccccc1C[*:1] CC(C)(NC(=O)Cn1ccc(n1)C(F)(F)F)[*:1]
Cc1ccccc1CC(C)(C)NC(=O)Cn1ccc(C(F)(F)F)n1 Cc1ccccc1[*:1] CC(C)(C[*:1])NC(=O)Cn1ccc(n1)C(F)(F)F
C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 NC(=O)[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])N1CC[C@@H](C1)C[NH+]1CCCCC1
O=C(c1cnn2c1OCCC2)N1CCC(COc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(c1cnn2CCCOc12)N1CCC(CC1)CO[*:1]
O=C(c1cnn2c1OCCC2)N1CCC(COc2cccc(Cl)c2)CC1 Clc1cccc(c1)O[*:1] O=C(c1cnn2CCCOc12)N1CCC(CC1)C[*:1]
O=C(CCC1CCN(C(=O)[C@@H]2CC=CCC2)CC1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCC1CCN(CC1)C(=O)[C@@H]1CC=CCC1)N1CCN(CC1)[*:1]
O=C(CCCOc1ccccc1)Nc1ccc(F)cc1Cl c1ccc(cc1)[*:1] O=C(CCCO[*:1])Nc1ccc(F)cc1Cl
O=C(CCCOc1ccccc1)Nc1ccc(F)cc1Cl c1ccc(cc1)O[*:1] O=C(CCC[*:1])Nc1ccc(F)cc1Cl
CCCC(=O)N1CSC[C@H]1C(=O)N1CCc2cc(F)ccc2C1 CCC[*:1] O=C([C@@H]1CSCN1C(=O)[*:1])N1CCc2cc(F)ccc2C1
C[C@@H](c1cccs1)S(=O)(=O)Cc1nnc(-c2cccc(F)c2)o1 c1csc(c1)[*:1] C[C@@H](S(=O)(=O)Cc1nnc(o1)-c1cccc(F)c1)[*:1]
C[C@@H](c1cccs1)S(=O)(=O)Cc1nnc(-c2cccc(F)c2)o1 Fc1cccc(c1)[*:1] C[C@@H](c1cccs1)S(=O)(=O)Cc1nnc(o1)[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])[C@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCC(CC)S(=O)(=O)/N=C(\[O-])[C@H]1C[C@H]1[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])[C@H]1C[C@@H]1c1cccc(F)c1 CCC(CC)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1c1cccc(F)c1)[*:1]
C[C@@H](NC(=O)N(C)[C@H](C)Cc1cccs1)c1nnnn1-c1ccccc1 c1csc(c1)C[*:1] C[C@@H](NC(=O)N(C)[C@H](C)[*:1])c1nnnn1-c1ccccc1
C[C@@H](NC(=O)N(C)[C@H](C)Cc1cccs1)c1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N(C)[C@H](C)Cc1cccs1)c1nnnn1[*:1]
C[C@@H](NC(=O)N(C)[C@H](C)Cc1cccs1)c1nnnn1-c1ccccc1 c1csc(c1)[*:1] C[C@@H](NC(=O)N(C)[C@H](C)C[*:1])c1nnnn1-c1ccccc1
C[C@@H](NC(=O)N(C)[C@H](C)Cc1cccs1)c1nnnn1-c1ccccc1 C[C@H](Cc1cccs1)[*:1] C[C@@H](NC(=O)N(C)[*:1])c1nnnn1-c1ccccc1
CCCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 CCC[*:1] C[C@@H](Sc1nc2sc3CCCc3c2c(=O)n1[*:1])C(=O)NC[C@@H]1CCCO1
CCCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 C1CO[C@@H](C1)[*:1] CCCn1c(nc2sc3CCCc3c2c1=O)S[C@H](C)C(=O)NC[*:1]
CCCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 O=C(NC[C@@H]1CCCO1)[*:1] CCCn1c(nc2sc3CCCc3c2c1=O)S[C@H](C)[*:1]
CCCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 C1CO[C@@H](C1)C[*:1] CCCn1c(nc2sc3CCCc3c2c1=O)S[C@H](C)C(=O)N[*:1]
Cc1noc(-c2cc[nH+]c(N(C)[C@H]3CCc4ccccc4C3)c2)n1 Cc1noc(n1)[*:1] CN(c1cc(cc[nH+]1)[*:1])[C@H]1CCc2ccccc2C1
CC[C@H](C)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 CC[C@H](C)[*:1] O=C(CSc1nnnn1-c1ccc(Cl)cc1)N[*:1]
CC[C@H](C)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)CSc1nnnn1[*:1]
CC[C@H](C)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 CC[C@H](C)NC(=O)[*:1] Clc1ccc(cc1)-n1nnnc1SC[*:1]
Cc1ccc(CN(C)S(=O)(=O)c2ccccc2Cl)s1 Cc1ccc(s1)[*:1] CN(C[*:1])S(=O)(=O)c1ccccc1Cl
Nc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1COCCO1 C1CO[C@H](CO1)[*:1] Nc1ccc2c(c1)CC[C@H]2NC(=O)[*:1]
O=C(NCCOC1CCCC1)[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 C1CCC(C1)O[*:1] O=C(NCC[*:1])[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
O=C(NCCOC1CCCC1)[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 C1CCC(C1)OC[*:1] O=C(NC[*:1])[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
O=C(NCCOC1CCCC1)[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 C1CCC(C1)[*:1] O=C(NCCO[*:1])[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
CCn1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)n1 CCn1ccc(n1)[*:1] O=C(Nc1ccc(cc1Cl)C(F)(F)F)[*:1]
CCn1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)n1 FC(F)(F)[*:1] CCn1ccc(n1)C(=O)Nc1ccc(cc1Cl)[*:1]
CCCCCC[NH2+][C@@H]1CCCS[C@@H]1C CCC[*:1] C[C@H]1SCCC[C@H]1[NH2+]CCC[*:1]
CCCCCC[NH2+][C@@H]1CCCS[C@@H]1C CCCC[*:1] C[C@H]1SCCC[C@H]1[NH2+]CC[*:1]
CCc1nn(-c2ccccc2)c2c1-c1cc(OC)c(OC)cc1[C@]1(N2)C(=O)Nc2ccccc21 c1ccc(cc1)[*:1] CCc1nn(c2N[C@]3(C(=O)Nc4ccccc43)c3cc(OC)c(cc3-c12)OC)[*:1]
O=C(COc1ccccc1F)N1CCC[C@@H](c2cnccn2)C1 Fc1ccccc1[*:1] O=C(CO[*:1])N1CCC[C@H](C1)c1cnccn1
O=C(COc1ccccc1F)N1CCC[C@@H](c2cnccn2)C1 c1cnc(cn1)[*:1] O=C(COc1ccccc1F)N1CCC[C@@H](C1)[*:1]
O=C(CCc1ccc(Cl)s1)N(CC(F)(F)F)c1ccccn1 Clc1ccc(s1)[*:1] O=C(CC[*:1])N(CC(F)(F)F)c1ccccn1
O=C(CCc1ccc(Cl)s1)N(CC(F)(F)F)c1ccccn1 FC(F)(F)[*:1] O=C(CCc1ccc(Cl)s1)N(C[*:1])c1ccccn1
O=C(CCc1ccc(Cl)s1)N(CC(F)(F)F)c1ccccn1 Clc1ccc(C[*:1])s1 O=C(C[*:1])N(CC(F)(F)F)c1ccccn1
O=C(CCc1ccc(Cl)s1)N(CC(F)(F)F)c1ccccn1 FC(F)(F)C[*:1] O=C(CCc1ccc(Cl)s1)N(c1ccccn1)[*:1]
O=C(CCc1ccc(Cl)s1)N(CC(F)(F)F)c1ccccn1 c1ccc(nc1)[*:1] O=C(CCc1ccc(Cl)s1)N(CC(F)(F)F)[*:1]
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2occc2Br)C1 Brc1ccoc1[*:1] C[NH+](C)[C@@H]1CCC[C@H](C1)NC(=O)[*:1]
O=C([O-])Cn1nc(-c2ccco2)ccc1=O c1coc(c1)[*:1] O=C([O-])Cn1nc(ccc1=O)[*:1]
O=C([O-])Cn1nc(-c2ccco2)ccc1=O O=C([O-])C[*:1] O=c1ccc(nn1[*:1])-c1ccco1
O=C([O-])Cn1nc(-c2ccco2)ccc1=O O=C([O-])[*:1] O=c1ccc(nn1C[*:1])-c1ccco1
O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCOCC1 O=[N+]([O-])[*:1] O=C(c1ccc(o1)-c1cccc(c1)[*:1])N1CCOCC1
CCN(CC)C(=O)c1ccc(C(=O)N(CC2CCC2)c2ccccc2)cc1 CCN(CC)C(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(CC1CCC1)c1ccccc1
CCN(CC)C(=O)c1ccc(C(=O)N(CC2CCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccc(cc1)C(=O)N(CC1CCC1)[*:1]
CCN(CC)C(=O)c1ccc(C(=O)N(CC2CCC2)c2ccccc2)cc1 C1CC(C1)[*:1] CCN(CC)C(=O)c1ccc(cc1)C(=O)N(C[*:1])c1ccccc1
CCN(CC)C(=O)c1ccc(C(=O)N(CC2CCC2)c2ccccc2)cc1 C1CC(C1)C[*:1] CCN(CC)C(=O)c1ccc(cc1)C(=O)N(c1ccccc1)[*:1]
CC(=O)OCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C CC(=O)O[*:1] Cn1c(=O)c2c(ncn2CC(=O)NCC[*:1])n(C)c1=O
CC(=O)OCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C CC(=O)OC[*:1] Cn1c(=O)c2c(ncn2CC(=O)NC[*:1])n(C)c1=O
CC(=O)OCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C CC(=O)OCC[*:1] Cn1c(=O)c2c(ncn2CC(=O)N[*:1])n(C)c1=O
c1ccc(CNc2cc(-c3ccc4c(c3)CNCC4)c3cc[nH]c3n2)nc1 c1ccc(CN[*:1])nc1 c1cc2c(cc(nc2[nH]1)[*:1])-c1ccc2CCNCc2c1
c1ccc(CNc2cc(-c3ccc4c(c3)CNCC4)c3cc[nH]c3n2)nc1 c1ccc(C[*:1])nc1 c1cc2c(cc(nc2[nH]1)N[*:1])-c1ccc2CCNCc2c1
c1ccc(CNc2cc(-c3ccc4c(c3)CNCC4)c3cc[nH]c3n2)nc1 c1ccc(nc1)[*:1] c1cc2c(cc(nc2[nH]1)NC[*:1])-c1ccc2CCNCc2c1
Fc1ccccc1[C@@H]([NH2+]Cc1ccoc1)C1CCCC1 c1cc(co1)[*:1] Fc1ccccc1[C@@H]([NH2+]C[*:1])C1CCCC1
Fc1ccccc1[C@@H]([NH2+]Cc1ccoc1)C1CCCC1 C1CCC(C1)[*:1] Fc1ccccc1[C@@H]([NH2+]Cc1ccoc1)[*:1]
Cc1n[nH]c(C)c1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 O=C([O-])[*:1] Cc1n[nH]c(C)c1C(=O)N1CC(C1)n1cc(nn1)[*:1]
Cc1n[nH]c(C)c1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 Cc1n[nH]c(C)c1[*:1] O=C([O-])c1cn(nn1)C1CN(C1)C(=O)[*:1]
Cc1ccc(NC(=O)CN2CCN(c3ccccc3)C2=O)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)CN1CCN(C1=O)[*:1]
Cc1ccc(NC(=O)CN2CCN(c3ccccc3)C2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(CN1CCN(C1=O)c1ccccc1)N[*:1]
CC(C)N[C@]1(C#N)CC[C@@H](Sc2nncn2C)C1 CC(C)N[*:1] Cn1cnnc1S[C@@H]1CC[C@@](C#N)(C1)[*:1]
CC(C)N[C@]1(C#N)CC[C@@H](Sc2nncn2C)C1 Cn1cnnc1[*:1] CC(C)N[C@]1(C#N)CC[C@H](C1)S[*:1]
CC(C)N[C@]1(C#N)CC[C@@H](Sc2nncn2C)C1 CC(C)[*:1] Cn1cnnc1S[C@@H]1CC[C@](C#N)(C1)N[*:1]
CCC1(CC)CC[NH+](Cc2ccc(C[NH2+]C(C)C)cc2)C1 CC(C)[NH2+]C[*:1] CCC1(CC)CC[NH+](Cc2ccc(cc2)[*:1])C1
CCC1(CC)CC[NH+](Cc2ccc(C[NH2+]C(C)C)cc2)C1 CC(C)[*:1] CCC1(CC)CC[NH+](Cc2ccc(cc2)C[NH2+][*:1])C1
C[C@H]1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)CCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1C(=O)N(CCN1C(=O)C[*:1])c1ccc(F)c(Cl)c1
C[C@H]1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)CCc1ccccc1 c1ccc(cc1)CC[*:1] C[C@H]1C(=O)N(CCN1C(=O)[*:1])c1ccc(F)c(Cl)c1
C[C@H]1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)CCc1ccccc1 Fc1ccc(cc1Cl)[*:1] C[C@H]1C(=O)N(CCN1C(=O)CCc1ccccc1)[*:1]
C[C@H]1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)CCc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C(=O)N(CCN1C(=O)CC[*:1])c1ccc(F)c(Cl)c1
C[C@H]1CCCCN1C(=O)NC[C@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] C[C@H]1CCCCN1C(=O)NC[C@H]1CC[C@H](O1)[*:1]
CCOC(=O)c1csc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)n1 c1ccc(cc1)[*:1] CCOC(=O)c1csc(n1)NC(=O)[C@@H]1CC(=NO1)[*:1]
CCOC(=O)c1csc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)n1 CCOC(=O)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CC(=NO1)c1ccccc1
O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 C1CC1[*:1] O=C(Nc1ccc2CCN(Cc2c1)C(=O)[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2CCN(Cc2c1)C(=O)C1CC1)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H](c1ccco1)N(C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 CC(C)(C)[*:1] C[C@@H](c1ccco1)N(C(=O)NC1CCN(CC1)C(=O)O[*:1])C1CC1
C[C@@H](c1ccco1)N(C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
CC(C)[C@@H](CNC(=O)N[C@@H]1CCCC1(C)C)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)N[C@@H]1CCCC1(C)C)[*:1]
CC(C)[C@@H](CNC(=O)N[C@@H]1CCCC1(C)C)N1CC[NH+](C)CC1 CC1(C)CCC[C@H]1[*:1] CC(C)[C@@H](CNC(=O)N[*:1])N1CC[NH+](C)CC1
Cc1ccccc1Cn1nnc(-c2ccsc2)n1 c1cc(cs1)[*:1] Cc1ccccc1Cn1nnc(n1)[*:1]
CCn1nc([N-]S(=O)(=O)c2cccc3nonc23)c2cc3ccc(C)cc3nc21 c1cc(c2nonc2c1)[*:1] CCn1nc([N-]S(=O)(=O)[*:1])c2cc3ccc(C)cc3nc21
Nc1ccc(SCCc2ccccc2[N+](=O)[O-])cc1F O=[N+]([O-])[*:1] Nc1ccc(cc1F)SCCc1ccccc1[*:1]
O=C([O-])c1ccc(O[C@@H]2CCS(=O)(=O)C2)cn1 O=C([O-])[*:1] O=S1(=O)CC[C@H](C1)Oc1ccc(nc1)[*:1]
O=C1CN(Cc2cscn2)[C@H]2CCCC[C@@H]2N1 c1nc(cs1)[*:1] O=C1CN(C[*:1])[C@H]2CCCC[C@@H]2N1
CC(=O)c1c[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)c1 C1CCC(C1)O[*:1] CC(=O)c1c[nH]c(c1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CC(=O)c1c[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)c1 C1CCC(C1)[*:1] CC(=O)c1c[nH]c(c1)C(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
CC(=O)c1c[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)c1 CC(=O)[*:1] O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1cc(c[nH]1)[*:1]
C#CCN1CCC(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 C#CC[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)C1CCN(CC1)[*:1]
C#CCN1CCC(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 FC(F)(F)[*:1] C#CCN1CCC(CC1)C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
C#CCN1CCC(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 Clc1ccc(cc1)[*:1] C#CCN1CCC(CC1)C(=O)N[C@@H](C(F)(F)F)[*:1]
O=C(Nc1ccc(F)c(F)c1F)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(F)c1F)C(c1ccccc1)[*:1]
Cn1cc(C(=O)Nc2ccc(OC(=O)C[C@@H](O)c3ccccc3)cc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)C(=O)Nc1ccc(cc1)OC(=O)C[C@@H](O)[*:1]
Cn1cc(C(=O)Nc2ccc(OC(=O)C[C@@H](O)c3ccccc3)cc2)cn1 Cn1cc(cn1)C(=O)N[*:1] O=C(C[C@@H](O)c1ccccc1)Oc1ccc(cc1)[*:1]
Cn1cc(C(=O)Nc2ccc(OC(=O)C[C@@H](O)c3ccccc3)cc2)cn1 Cn1cc(cn1)[*:1] O=C(C[C@@H](O)c1ccccc1)Oc1ccc(cc1)NC(=O)[*:1]
Cn1cc(C(=O)Nc2ccc(OC(=O)C[C@@H](O)c3ccccc3)cc2)cn1 O[C@@H](c1ccccc1)[*:1] Cn1cc(cn1)C(=O)Nc1ccc(cc1)OC(=O)C[*:1]
COc1cc2c(cc1/C=C(/C#N)C(=O)c1sccc1C)O[C@H](C)C2 Cc1ccsc1C(=O)[*:1] COc1cc2C[C@@H](C)Oc2cc1C=C(C#N)[*:1]
COc1cc2c(cc1/C=C(/C#N)C(=O)c1sccc1C)O[C@H](C)C2 Cc1ccsc1[*:1] COc1cc2C[C@@H](C)Oc2cc1/C=C(/C#N)C(=O)[*:1]
CCc1ccc(C(=O)N(CC)CC(=O)NC)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] CCc1ccc(cc1[*:1])C(=O)N(CC)CC(=O)NC
CCc1ccc(C(=O)N(CC)CC(=O)NC)cc1S(=O)(=O)N1CCOCC1 CNC(=O)C[*:1] CCc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N(CC)[*:1]
CCc1ccc(C(=O)N(CC)CC(=O)NC)cc1S(=O)(=O)N1CCOCC1 CNC(=O)[*:1] CCc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N(CC)C[*:1]
CCOc1ccc(C(=O)N(CC)c2ccc(C#N)c(Cl)c2)cc1 CCO[*:1] CCN(C(=O)c1ccc(cc1)[*:1])c1ccc(C#N)c(Cl)c1
Cc1ccc([C@@H](C)NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 Cc1ccc(o1)[C@@H](C)[*:1] C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[*:1])C1
Cc1ccc([C@@H](C)NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 Cc1ccc(o1)[*:1] C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@H](C)[*:1])C1
O=C(Nc1cc(F)ccc1F)N[C@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cc(F)ccc1F)N[C@H](CO)C[*:1]
O=C(Nc1cc(F)ccc1F)N[C@H](CO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1cc(F)ccc1F)N[C@H](CO)[*:1]
CCOC(=O)CS(=O)(=O)N1CCC(CC(=O)[O-])CC1 CCOC(=O)[*:1] O=C([O-])CC1CCN(CC1)S(=O)(=O)C[*:1]
CCOC(=O)CS(=O)(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] CCOC(=O)CS(=O)(=O)N1CCC(CC1)C[*:1]
CCOC(=O)CS(=O)(=O)N1CCC(CC(=O)[O-])CC1 CCOC(=O)C[*:1] O=C([O-])CC1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)CS(=O)(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] CCOC(=O)CS(=O)(=O)N1CCC(CC1)[*:1]
CO[C@H](CNC(=O)N[C@@H](C)CS(C)(=O)=O)c1ccc(F)cc1 C[C@@H](CS(C)(=O)=O)[*:1] CO[C@H](CNC(=O)N[*:1])c1ccc(F)cc1
CO[C@H](CNC(=O)N[C@@H](C)CS(C)(=O)=O)c1ccc(F)cc1 CS(=O)(=O)[*:1] CO[C@H](CNC(=O)N[C@@H](C)C[*:1])c1ccc(F)cc1
CO[C@H](CNC(=O)N[C@@H](C)CS(C)(=O)=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)N[C@@H](C)CS(C)(=O)=O)[*:1]
CO[C@H](CNC(=O)N[C@@H](C)CS(C)(=O)=O)c1ccc(F)cc1 CS(=O)(=O)C[*:1] CO[C@H](CNC(=O)N[C@@H](C)[*:1])c1ccc(F)cc1
Cc1nccc(-c2cccc(NCC(=O)N3c4ccccc4CC[C@H]3C)c2)n1 Cc1nccc(n1)[*:1] C[C@@H]1CCc2ccccc2N1C(=O)CNc1cccc(c1)[*:1]
CN1/C(=C\C(=S)NC(=O)c2ccco2)C(C)(C)c2ccccc21 c1coc(c1)[*:1] CN1/C(=C\C(=S)NC(=O)[*:1])C(C)(C)c2ccccc21
CCn1nc(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)ccc1=O c1cnc(nc1)[*:1] CCn1nc(ccc1=O)C(=O)NC[C@H]1CCCN(C1)[*:1]
CCCNS(=O)(=O)c1ccc(NC(=O)CC2CCCC2)cc1 C1CCC(C1)C[*:1] CCCNS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CCCNS(=O)(=O)c1ccc(NC(=O)CC2CCCC2)cc1 CCC[*:1] O=C(CC1CCCC1)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CCCNS(=O)(=O)c1ccc(NC(=O)CC2CCCC2)cc1 C1CCC(C1)[*:1] CCCNS(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
CCCNS(=O)(=O)c1ccc(NC(=O)CC2CCCC2)cc1 CCCNS(=O)(=O)[*:1] O=C(CC1CCCC1)Nc1ccc(cc1)[*:1]
Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(NCCCN3CCOCC3)nc2C1 C1CN(CCO1)[*:1] Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(nc2C1)NCCC[*:1]
Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(NCCCN3CCOCC3)nc2C1 Cc1ccccc1[*:1] Cc1nc(nc2C[C@H](CC(=O)c12)[*:1])NCCCN1CCOCC1
Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(NCCCN3CCOCC3)nc2C1 C(CN1CCOCC1)C[*:1] Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(nc2C1)N[*:1]
Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(NCCCN3CCOCC3)nc2C1 C1CN(CCO1)CC[*:1] Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(nc2C1)NC[*:1]
Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(NCCCN3CCOCC3)nc2C1 C1CN(CCO1)C[*:1] Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(nc2C1)NCC[*:1]
O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCO[C@@H]2CCCC[C@H]21 C1CC1[*:1] O=C(c1cc(nc2ccc(F)cc12)[*:1])N1CCO[C@@H]2CCCC[C@H]21
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O Clc1cccc(c1Cl)[*:1] C[C@H](O[*:1])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O NC(=O)[*:1] C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1Cc2ccccc2C[C@@H]1[*:1]
C[NH2+]C[C@@H](OC(C)C)c1ccc(C)cc1 CC(C)[*:1] C[NH2+]C[C@@H](O[*:1])c1ccc(C)cc1
C[NH2+]C[C@@H](OC(C)C)c1ccc(C)cc1 CC(C)O[*:1] C[NH2+]C[C@@H](c1ccc(C)cc1)[*:1]
C=CCNc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C=CCNc1ccc(cc1[*:1])-c1nc(no1)-c1cccc(C)c1
C=CCNc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1[N+](=O)[O-] C=CC[*:1] Cc1cccc(c1)-c1noc(n1)-c1ccc(N[*:1])c(c1)[N+](=O)[O-]
C=CCNc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1[N+](=O)[O-] C=CCN[*:1] Cc1cccc(c1)-c1noc(n1)-c1ccc(c(c1)[N+](=O)[O-])[*:1]
C=CCNc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1[N+](=O)[O-] Cc1cccc(c1)[*:1] C=CCNc1ccc(cc1[N+](=O)[O-])-c1nc(no1)[*:1]
O=C1CO[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C1CO[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1ccc(cc1)O[*:1]
O=C1CO[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1ccc(OC(F)(F)F)cc1 Fc1ccc(cc1)[*:1] O=C1CO[C@H]2CN(C[C@H]2N1Cc1ccc(cc1)OC(F)(F)F)C[*:1]
O=C1CO[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C1CO[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1ccc(cc1)[*:1]
O=C1CO[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1ccc(OC(F)(F)F)cc1 Fc1ccc(cc1)C[*:1] O=C1CO[C@H]2CN(C[C@H]2N1Cc1ccc(cc1)OC(F)(F)F)[*:1]
C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@@H](C)S1 N#CC[*:1] C[C@@H]1CN(CC(=O)N(CCC#N)C[*:1])C[C@@H](C)S1
C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@@H](C)S1 N#CCC[*:1] C[C@@H]1CN(CC(=O)N(CCC#N)[*:1])C[C@@H](C)S1
NC(=O)CONC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 NC(=O)[*:1] O=C(NOC[*:1])c1cc(n[nH]1)-c1ccc(Cl)cc1
NC(=O)CONC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 NC(=O)C[*:1] O=C(NO[*:1])c1cc(n[nH]1)-c1ccc(Cl)cc1
CC(=O)c1cccc(OCCCC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 CC(=O)[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)CCCOc1cccc(c1)[*:1]
Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)C[*:1]
Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)[*:1]
COCCCC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 COC[*:1] O=C(CC[*:1])N1CCO[C@H](C1)c1cccc(c1)OC(F)F
COCCCC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)[*:1] COCCCC(=O)N1CCO[C@H](C1)c1cccc(c1)O[*:1]
COCCCC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] COCCCC(=O)N1CCO[C@H](C1)c1cccc(c1)[*:1]
COCCCC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 COCC[*:1] O=C(C[*:1])N1CCO[C@H](C1)c1cccc(c1)OC(F)F
COCCCC(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 COCCC[*:1] O=C(N1CCO[C@H](C1)c1cccc(c1)OC(F)F)[*:1]
C[NH2+][C@H](Cc1ccn(C(C)C)n1)C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] C[NH2+][C@H](Cc1ccn(n1)C(C)C)C(C)(C)[*:1]
C[NH2+][C@H](Cc1ccn(C(C)C)n1)C(C)(C)N1CCOCC1 CC(C)[*:1] C[NH2+][C@H](Cc1ccn(n1)[*:1])C(C)(C)N1CCOCC1
C=CCOc1cccc(C(=O)N2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c1 O=C(NC[*:1])c1ccccc1 C=CCOc1cccc(c1)C(=O)N1CCc2nnc(n2CC1)[*:1]
C=CCOc1cccc(C(=O)N2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c1 C=CC[*:1] O=C(NCc1nnc2CCN(CCn21)C(=O)c1cccc(c1)O[*:1])c1ccccc1
C=CCOc1cccc(C(=O)N2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c1 C=CCO[*:1] O=C(NCc1nnc2CCN(CCn21)C(=O)c1cccc(c1)[*:1])c1ccccc1
C=CCOc1cccc(C(=O)N2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c1 C=CCOc1cccc(c1)[*:1] O=C(NCc1nnc2CCN(CCn21)C(=O)[*:1])c1ccccc1
C=CCOc1cccc(C(=O)N2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c1 O=C(N[*:1])c1ccccc1 C=CCOc1cccc(c1)C(=O)N1CCc2nnc(C[*:1])n2CC1
C=CCOc1cccc(C(=O)N2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c1 c1ccc(cc1)[*:1] C=CCOc1cccc(c1)C(=O)N1CCc2nnc(CNC(=O)[*:1])n2CC1
C=C(C)Cn1c(SC[C@@H]2C=C(O)N=N2)nc2sc3c(c2c1=O)CCCC3 C=C(C)[*:1] O=c1c2c3CCCCc3sc2nc(SC[C@@H]2C=C(O)N=N2)n1C[*:1]
C=C(C)Cn1c(SC[C@@H]2C=C(O)N=N2)nc2sc3c(c2c1=O)CCCC3 C=C(C)C[*:1] O=c1c2c3CCCCc3sc2nc(SC[C@@H]2C=C(O)N=N2)n1[*:1]
CS[C@H]1CC[C@@H](NC(=O)N2CCCN(c3nc(C)cs3)CC2)C1 Cc1csc(n1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)N1CCCN(CC1)[*:1]
O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nc(-c2ccccc2Cl)no1 Clc1ccccc1[*:1] O=c1ccc(cn1Cc1nc(no1)[*:1])S(=O)(=O)N1CCCC1
O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nc(-c2ccccc2Cl)no1 O=S(=O)(N1CCCC1)[*:1] O=c1ccc(cn1Cc1nc(no1)-c1ccccc1Cl)[*:1]
Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)nn1-c1ccccc1F Clc1cccc(Cl)c1[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)N(C)CC(=O)N[*:1]
Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)nn1-c1ccccc1F Fc1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl
CC[NH2+][C@@H](CCCc1ccccc1)[C@]1(C)CCCO1 c1ccc(cc1)[*:1] CC[NH2+][C@@H](CCC[*:1])[C@]1(C)CCCO1
CN(CCOCC1CC1)c1nc2ccc(N)cc2s1 C1CC1CO[*:1] CN(CC[*:1])c1nc2ccc(N)cc2s1
CN(CCOCC1CC1)c1nc2ccc(N)cc2s1 C1CC1COC[*:1] CN(C[*:1])c1nc2ccc(N)cc2s1
CN(CCOCC1CC1)c1nc2ccc(N)cc2s1 C1CC1C[*:1] CN(CCO[*:1])c1nc2ccc(N)cc2s1
CN(CCOCC1CC1)c1nc2ccc(N)cc2s1 C1CC1[*:1] CN(CCOC[*:1])c1nc2ccc(N)cc2s1
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N[C@@H]1CC=CCC1 CCS(=O)(=O)[*:1] O=C(N[C@@H]1CC=CCC1)c1cc(Cl)ccc1[*:1]
CCCCS(=O)(=O)N1CCN(c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1 CCC[*:1] Cc1nn(c(C)c1N1CCN(CC1)S(=O)(=O)C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCS(=O)(=O)N1CCN(c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1 CCCC[*:1] Cc1nn(c(C)c1N1CCN(CC1)S(=O)(=O)[*:1])[C@H]1CCS(=O)(=O)C1
COc1cccc([C@@H](CNC(=O)N2c3ccccc3C[C@H]2C)[NH+](C)C)c1 COc1cccc(c1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1ccc(-n2nnnc2SCc2cc(C)on2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)-n1nnnc1SC[*:1]
CCOc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1ccc(cc1)N1CCCC1=O
CCOc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OC O=C1CCCN1[*:1] CCOc1ccc(cc1OC)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCCCn1cc[nH+]c1)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCn1cc[nH+]c1)[C@H](O)[*:1]
C#CCN(CC#C)C(=O)CN(C)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C#CCN(CC#C)C(=O)CN(C)S(=O)(=O)[*:1]
C#CCN(CC#C)C(=O)CN(C)S(=O)(=O)c1ccccc1 C#CC[*:1] C#CCN(C(=O)CN(C)S(=O)(=O)c1ccccc1)[*:1]
CCCc1nc(C)sc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 Cn1ccnc1C(=O)[*:1] CCCc1nc(C)sc1C(=O)Nc1ccc(cc1)[*:1]
CCCc1nc(C)sc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 Cn1ccnc1[*:1] CCCc1nc(C)sc1C(=O)Nc1ccc(cc1)C(=O)[*:1]
CCCc1nc(C)sc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 CCC[*:1] Cc1nc(c(s1)C(=O)Nc1ccc(cc1)C(=O)c1nccn1C)[*:1]
CCOc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)NC(=S)NC(=O)c1cccc(c1)[*:1]
CCOc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 CCO[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1cccc(c1)[N+](=O)[O-]
CCOCCn1/c(=N/C(=O)c2ccn(CC)n2)sc2cc(F)ccc21 CCO[*:1] CCn1ccc(n1)C(=O)/N=c1\sc2cc(F)ccc2n1CC[*:1]
CCOCCn1/c(=N/C(=O)c2ccn(CC)n2)sc2cc(F)ccc21 CCOC[*:1] CCn1ccc(n1)C(=O)/N=c1\sc2cc(F)ccc2n1C[*:1]
CCOCCn1/c(=N/C(=O)c2ccn(CC)n2)sc2cc(F)ccc21 CCn1ccc(n1)[*:1] CCOCCn1/c(=N/C(=O)[*:1])sc2cc(F)ccc21
CCOCCn1/c(=N/C(=O)c2ccn(CC)n2)sc2cc(F)ccc21 CCOCC[*:1] CCn1ccc(n1)C(=O)/N=c1\sc2cc(F)ccc2n1[*:1]
CO[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 C1CCN(C1)[*:1] CO[C@@H]1CCCN(C1)C(=O)NCc1cc[nH+]c(c1)[*:1]
C=C(C)C(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1 C=C(C)C(=O)N[*:1] O=C(Nc1ccc(O)cc1)c1ccc(cc1)[*:1]
C=C(C)C(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1 C=C(C)[*:1] O=C(Nc1ccc(O)cc1)c1ccc(cc1)NC(=O)[*:1]
C=C(C)C(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] C=C(C)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCc1ncc(C(=O)Nc2ccnn2[C@H](C)C(C)C)cn1 CC(C)[C@@H](C)[*:1] CCc1ncc(cn1)C(=O)Nc1ccnn1[*:1]
CCc1ncc(C(=O)Nc2ccnn2[C@H](C)C(C)C)cn1 CC(C)[*:1] CCc1ncc(cn1)C(=O)Nc1ccnn1[C@H](C)[*:1]
CC1(C)CCCC[C@H]1[NH2+][C@H](CC#N)c1ccccc1 c1ccc(cc1)[*:1] CC1(C)CCCC[C@H]1[NH2+][C@H](CC#N)[*:1]
CC1(C)CCCC[C@H]1[NH2+][C@H](CC#N)c1ccccc1 N#CC[*:1] CC1(C)CCCC[C@H]1[NH2+][C@H](c1ccccc1)[*:1]
COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc1OC Clc1cccc(c1)[*:1] COc1ccc(cc1OC)[C@@H]1NC(=O)NC(C)=C1C(=O)N[*:1]
COC(=O)Cn1nnnc1SCc1nccs1 COC(=O)[*:1] c1csc(CSc2nnnn2C[*:1])n1
COC(=O)Cn1nnnc1SCc1nccs1 COC(=O)C[*:1] c1csc(CSc2nnnn2[*:1])n1
COC(=O)Cn1nnnc1SCc1nccs1 c1csc(n1)[*:1] COC(=O)Cn1nnnc1SC[*:1]
CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] CC[NH+](CC)C[C@@H](C)Nc1ccc(c(N)n1)[*:1]
CCC[NH2+][C@@H](Cc1ccc(F)c(F)c1)c1cc(C)oc1C CCC[*:1] Cc1cc(c(C)o1)[C@H](Cc1ccc(F)c(F)c1)[NH2+][*:1]
CCC[NH2+][C@@H](Cc1ccc(F)c(F)c1)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] CCC[NH2+][C@@H](Cc1ccc(F)c(F)c1)[*:1]
Cc1cccc(/N=C(/N)NC2=N[C@@H](CC(=O)Nc3ccc(C)c(C)c3)C([O-])=N2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1C)NC(=O)C[C@@H]1N=C(N=C1[O-])NC(N)=N[*:1]
Cc1cccc(/N=C(/N)NC2=N[C@@H](CC(=O)Nc3ccc(C)c(C)c3)C([O-])=N2)c1 Cc1ccc(cc1C)[*:1] Cc1cccc(c1)/N=C(/N)NC1=N[C@@H](CC(=O)N[*:1])C([O-])=N1
COCCN(CC(C)C)S(=O)(=O)c1ccccc1Br COCC[*:1] CC(C)CN(S(=O)(=O)c1ccccc1Br)[*:1]
COCCN(CC(C)C)S(=O)(=O)c1ccccc1Br CC(C)[*:1] COCCN(C[*:1])S(=O)(=O)c1ccccc1Br
COCCN(CC(C)C)S(=O)(=O)c1ccccc1Br COC[*:1] CC(C)CN(C[*:1])S(=O)(=O)c1ccccc1Br
COCCN(CC(C)C)S(=O)(=O)c1ccccc1Br CC(C)C[*:1] COCCN(S(=O)(=O)c1ccccc1Br)[*:1]
COc1ccc(N2C(=O)C(=O)N(CN3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1)N1C(=O)C(=O)N(CN2CCC(CC2)[*:1])C1=O
COc1ccc(N2C(=O)C(=O)N(CN3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C1C(=O)N(C(=O)N1CN1CCC(CC1)c1nc2ccccc2s1)[*:1]
Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(C(=O)Nc3cccc(F)c3)nn12 O=C(Nc1cccc(F)c1)[*:1] Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(nn12)[*:1]
Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(C(=O)Nc3cccc(F)c3)nn12 Clc1cccc(c1)[*:1] Cc1ccc2c(c1)n(C[*:1])c(=O)c1nc(nn12)C(=O)Nc1cccc(F)c1
Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(C(=O)Nc3cccc(F)c3)nn12 Fc1cccc(c1)[*:1] Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(nn12)C(=O)N[*:1]
Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(C(=O)Nc3cccc(F)c3)nn12 Clc1cccc(c1)C[*:1] Cc1ccc2c(c1)n(c(=O)c1nc(nn12)C(=O)Nc1cccc(F)c1)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ncccc23)c1 CNC(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1cccc2ncccc12
O=C1OC(c2ccc(Cl)cc2)=N/C1=C/Nc1ccc(O)c(C(=O)[O-])c1 Clc1ccc(cc1)[*:1] O=C1OC(=N/C1=C/Nc1ccc(O)c(c1)C(=O)[O-])[*:1]
O=C1OC(c2ccc(Cl)cc2)=N/C1=C/Nc1ccc(O)c(C(=O)[O-])c1 O=C([O-])[*:1] O=C1OC(=N/C1=C/Nc1ccc(O)c(c1)[*:1])c1ccc(Cl)cc1
CCCn1nc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccc1=O C1CC1[*:1] CCCn1nc(ccc1=O)C(=O)N(Cc1ccc(Cl)cc1)[*:1]
CCCn1nc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccc1=O Clc1ccc(cc1)[*:1] CCCn1nc(ccc1=O)C(=O)N(C[*:1])C1CC1
CCCn1nc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccc1=O Clc1ccc(cc1)C[*:1] CCCn1nc(ccc1=O)C(=O)N(C1CC1)[*:1]
CCCn1nc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccc1=O CCC[*:1] O=C(c1ccc(=O)n(n1)[*:1])N(Cc1ccc(Cl)cc1)C1CC1
Cc1cccc(C(=O)[O-])c1O[C@H](C)[C@H](C)O O=C([O-])[*:1] Cc1cccc(c1O[C@H](C)[C@H](C)O)[*:1]
Cc1cccc(C(=O)[O-])c1O[C@H](C)[C@H](C)O C[C@H](O)[C@@H](C)[*:1] Cc1cccc(C(=O)[O-])c1O[*:1]
Cc1cccc(C(=O)[O-])c1O[C@H](C)[C@H](C)O C[C@H](O)[*:1] Cc1cccc(C(=O)[O-])c1O[C@H](C)[*:1]
CCCCCOc1ccc(C(N)=S)cc1 CCCC[*:1] NC(=S)c1ccc(cc1)OC[*:1]
CCCCCOc1ccc(C(N)=S)cc1 CCCCC[*:1] NC(=S)c1ccc(cc1)O[*:1]
CCCCCOc1ccc(C(N)=S)cc1 NC(=S)[*:1] CCCCCOc1ccc(cc1)[*:1]
CCCCCOc1ccc(C(N)=S)cc1 CCC[*:1] NC(=S)c1ccc(cc1)OCC[*:1]
Cc1noc(C)c1CNc1cnc(C(=O)[O-])cn1 O=C([O-])[*:1] Cc1noc(C)c1CNc1cnc(cn1)[*:1]
CCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 CCC(=O)N[*:1] C[NH+]1CCN(CC1)C(=O)c1ccccc1[*:1]
COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 CC(C)(C)[*:1] COc1ccc(/C=C/C(=O)Nc2ccc(cc2)C(=O)N[*:1])cc1
COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)NC(=O)c1ccc(cc1)NC(=O)C=C[*:1]
COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 CC(C)(C)NC(=O)[*:1] COc1ccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])cc1
COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(Cc1ccncc1C)CC2 Cc1cnccc1[*:1] COc1cc2CCN(C[*:1])[C@H](c3ccccc3F)c2cc1OC
COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(Cc1ccncc1C)CC2 Fc1ccccc1[*:1] COc1cc2CCN(Cc3ccncc3C)[C@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(Cc1ccncc1C)CC2 Cc1cnccc1C[*:1] COc1cc2CCN([C@H](c3ccccc3F)c2cc1OC)[*:1]
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1[N+](=O)[O-])[*:1])N1CCN(CC1)C(c1ccccc1)c1ccccc1
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1[*:1])[N+](=O)[O-])N1CCN(CC1)C(c1ccccc1)c1ccccc1
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N1CCN(CC1)C(c1ccccc1)[*:1]
FC(F)(F)c1nc(SCCOc2ccccc2)c2ccccc2n1 c1ccc(cc1)O[*:1] FC(F)(F)c1nc(SCC[*:1])c2ccccc2n1
FC(F)(F)c1nc(SCCOc2ccccc2)c2ccccc2n1 FC(F)(F)[*:1] c1ccc(cc1)OCCSc1nc(nc2ccccc12)[*:1]
FC(F)(F)c1nc(SCCOc2ccccc2)c2ccccc2n1 c1ccc(cc1)[*:1] FC(F)(F)c1nc(SCCO[*:1])c2ccccc2n1
FC(F)(F)c1nc(SCCOc2ccccc2)c2ccccc2n1 c1ccc(cc1)OC[*:1] FC(F)(F)c1nc(SC[*:1])c2ccccc2n1
CN(C(=O)CC1CCC1)c1ccccn1 C1CC(C1)[*:1] CN(C(=O)C[*:1])c1ccccn1
CN(C(=O)CC1CCC1)c1ccccn1 C1CC(C1)C[*:1] CN(C(=O)[*:1])c1ccccn1
CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 NS(=O)(=O)[*:1] CC(C)c1ccc(cc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 CC(C)[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
CC(C)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 CC(C)c1ccc(cc1)[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
CCc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC2=O)s1 CCc1ccc(s1)[*:1] O=C1CCC[C@@H]1[C@H]1CCCCN1C(=O)[*:1]
CCc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC2=O)s1 O=C1CCC[C@@H]1[*:1] CCc1ccc(s1)C(=O)N1CCCC[C@H]1[*:1]
CC1(C)C(=O)NC(=S)N2C(=O)C[C@@H](C(=O)Nc3ccc(F)cc3)N21 Fc1ccc(cc1)[*:1] CC1(C)C(=O)NC(=S)N2C(=O)C[C@@H](C(=O)N[*:1])N21
COC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2C(C)C)c1 COC(=O)[*:1] CC(C)c1cc(Br)ccc1OCC(=O)Nc1cccc(c1)[*:1]
COC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2C(C)C)c1 CC(C)[*:1] COC(=O)c1cccc(c1)NC(=O)COc1ccc(Br)cc1[*:1]
COC(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cccs1
COC(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1ccc(OC)cc1 c1csc(c1)[*:1] COC(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1)OC)C(=O)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1cccs1
COc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c1 COc1cccc(c1)C[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1Br
COc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c1 COc1cccc(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1ccccc1Br
COc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c1 Brc1ccccc1[*:1] COc1cccc(c1)CNC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccs1 FC(F)(F)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(o1)-c1cccc(c1)[*:1])c1cccs1
C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F)[*:1]
O=C(NCc1ccccc1Cl)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 Clc1ccccc1C[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1
O=C(NCc1ccccc1Cl)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 Clc1ccccc1[*:1] O=C(NC[*:1])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1
O=C(NCc1ccccc1Cl)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(NCc1ccccc1Cl)[C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
CCc1ccc([C@H](CO)NC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)cc1 C[C@H]1C[C@@H]1C(=O)N[*:1] CCc1ccc(cc1)[C@H](CO)NC(=O)c1ccc(cc1)[*:1]
CCc1ccc([C@H](CO)NC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)cc1 CCc1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)N[C@@H](CO)[*:1]
CCCc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 CCC[*:1] O=C(Nc1ccc(cc1)[*:1])c1c[nH]c2ccccc12
CCCNC(=O)NCCC1CCN(c2cc[nH+]cc2)CC1 CCCNC(=O)N[*:1] c1cc(cc[nH+]1)N1CCC(CC1)CC[*:1]
CCCNC(=O)NCCC1CCN(c2cc[nH+]cc2)CC1 CCC[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)N[*:1]
Cc1ccc(NC(=O)[C@H]2CN(c3ncc(F)cn3)CCN2)cn1 Fc1cnc(nc1)[*:1] Cc1ccc(cn1)NC(=O)[C@H]1CN(CCN1)[*:1]
Cc1ccc(NC(=O)[C@H]2CN(c3ncc(F)cn3)CCN2)cn1 Cc1ccc(cn1)[*:1] O=C(N[*:1])[C@H]1CN(CCN1)c1ncc(F)cn1
CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 CNC(=O)[*:1] CC(C)C[C@H](NC(=O)c1cc([nH]n1)-c1ccccc1Cl)[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 CC(C)C[*:1] CNC(=O)[C@H](NC(=O)c1cc([nH]n1)-c1ccccc1Cl)[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 Clc1ccccc1[*:1] CNC(=O)[C@H](CC(C)C)NC(=O)c1cc([nH]n1)[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 CC(C)[*:1] CNC(=O)[C@H](C[*:1])NC(=O)c1cc([nH]n1)-c1ccccc1Cl
CCc1cc2c(N(C)Cc3ccc(Cl)nc3)ncnc2s1 Clc1ccc(cn1)[*:1] CCc1cc2c(ncnc2s1)N(C)C[*:1]
CN(CC(=O)NC1CCCCC1)S(=O)(=O)C1=CN=C(C(=O)N2CCCC2)C1 O=C(NC1CCCCC1)[*:1] CN(C[*:1])S(=O)(=O)C1=CN=C(C1)C(=O)N1CCCC1
CN(CC(=O)NC1CCCCC1)S(=O)(=O)C1=CN=C(C(=O)N2CCCC2)C1 C1CCC(CC1)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)C1=CN=C(C1)C(=O)N1CCCC1
S=c1[nH]c2cccnc2n1CCCOc1ccccc1 c1ccc(cc1)[*:1] S=c1[nH]c2cccnc2n1CCCO[*:1]
CCn1c([C@H](C)[NH2+][C@@H](c2nnc3ccccn23)C(C)C)nc2ccccc21 CC(C)[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+][C@@H](c1nnc2ccccn12)[*:1]
CCn1c([C@H](C)[NH2+][C@@H](c2nnc3ccccn23)C(C)C)nc2ccccc21 c1ccn2c(nnc2c1)[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+][C@@H](C(C)C)[*:1]
CNc1ccccc1C(=O)OCc1ccc(C(=O)OC)cc1 COC(=O)[*:1] CNc1ccccc1C(=O)OCc1ccc(cc1)[*:1]
CCCCN/C(NCc1nc(C)c(C)o1)=[NH+]\C CCCC[*:1] C/[NH+]=C(/NCc1nc(C)c(C)o1)N[*:1]
CCCCN/C(NCc1nc(C)c(C)o1)=[NH+]\C CCC[*:1] C/[NH+]=C(/NCc1nc(C)c(C)o1)NC[*:1]
O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H](c2cn[nH]c2)C1 Fc1cccc(c1)[*:1] O=C([C@@H]1C[C@H]1[*:1])N1CCC[C@@H](C1)c1cn[nH]c1
O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H](c2cn[nH]c2)C1 c1n[nH]cc1[*:1] O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H](C1)[*:1]
C[C@H](CCSc1ccccc1)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CCSc1ccccc1)[*:1]
C[C@H](CCSc1ccccc1)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CCSc1ccccc1)C[*:1]
Cc1c(C(=O)N(C)CCC(C)C)cnn1-c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] Cc1c(cnn1-c1ccc(cn1)[*:1])C(=O)N(C)CCC(C)C
Cc1c(C(=O)N(C)CCC(C)C)cnn1-c1ccc(C(F)(F)F)cn1 CC(C)[*:1] Cc1c(cnn1-c1ccc(cn1)C(F)(F)F)C(=O)N(C)CC[*:1]
Cc1c(C(=O)N(C)CCC(C)C)cnn1-c1ccc(C(F)(F)F)cn1 CC(C)C[*:1] Cc1c(cnn1-c1ccc(cn1)C(F)(F)F)C(=O)N(C)C[*:1]
Cc1c(C(=O)N(C)CCC(C)C)cnn1-c1ccc(C(F)(F)F)cn1 CC(C)CC[*:1] Cc1c(cnn1-c1ccc(cn1)C(F)(F)F)C(=O)N(C)[*:1]
COc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)/N=C/c1ccc(cc1)OC[*:1]
COc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)/N=C/c1ccc(cc1)O[*:1]
COc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1OC c1ccc(cc1)CO[*:1] COc1ccc(cc1OC)/N=C/c1ccc(cc1)[*:1]
COC[C@H](C)[NH2+][C@H](CO)c1cc(F)c(F)c(F)c1 COC[C@H](C)[*:1] OC[C@@H]([NH2+][*:1])c1cc(F)c(F)c(F)c1
COC[C@H](C)[NH2+][C@H](CO)c1cc(F)c(F)c(F)c1 COC[*:1] C[C@H]([NH2+][C@H](CO)c1cc(F)c(F)c(F)c1)[*:1]
CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CC[NH+]1CCCCC1 NC(=O)[*:1] CC[NH2+][C@]1(CCC[C@@H]1CC[NH+]1CCCCC1)[*:1]
Cc1cccc(O[C@H](C)CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)O[*:1]
Cc1cccc(O[C@H](C)CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 Cc1cccc(c1)O[*:1] C[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)[*:1]
O=C([O-])CNC(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O O=C([O-])CNC(=O)[*:1] O=C1S/C(=C\c2cccc(F)c2)C(=O)N1C[*:1]
O=C([O-])CNC(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O Fc1cccc(c1)[*:1] O=C([O-])CNC(=O)CN1C(=O)SC(=C[*:1])C1=O
O=C([O-])CNC(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O O=C([O-])C[*:1] O=C(CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)N[*:1]
O=C([O-])CNC(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O O=C([O-])[*:1] O=C(CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)NC[*:1]
CC(C)[C@H](CO)Nc1cc(C[NH3+])c2ccccc2n1 CC(C)[C@H](CO)[*:1] [NH3+]Cc1cc(nc2ccccc12)N[*:1]
CC(C)[C@H](CO)Nc1cc(C[NH3+])c2ccccc2n1 CC(C)[*:1] [NH3+]Cc1cc(nc2ccccc12)N[C@@H](CO)[*:1]
Cc1nc2c(s1)[C@@H](N(C)Cc1ccccc1-n1cccn1)CCC2 c1cnn(c1)[*:1] Cc1nc2CCC[C@@H](c2s1)N(C)Cc1ccccc1[*:1]
CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3ccc(C)s3)o2)cn1 CCn1cc(cn1)[*:1] Cc1ccc(s1)-c1nnc(o1)[C@H]1CCCN1S(=O)(=O)[*:1]
CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3ccc(C)s3)o2)cn1 Cc1ccc(s1)[*:1] CCn1cc(cn1)S(=O)(=O)N1CCC[C@@H]1c1nnc(o1)[*:1]
Clc1ccc(-c2nnc(SCc3cn4ccccc4n3)o2)cc1 Clc1ccc(cc1)[*:1] c1ccn2cc(CSc3nnc(o3)[*:1])nc2c1
C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1N(C)C CN(C)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)N1CCCCC1)c1ccc(F)cc1[*:1]
C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1N(C)C C1CCN(CC1)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)[*:1])c1ccc(F)cc1N(C)C
CC[C@@H](C)N/C(N)=[NH+]/Cc1cccc(Br)c1OC CC[C@@H](C)[*:1] COc1c(Br)cccc1C/[NH+]=C(\N)N[*:1]
O=C1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)[C@H]2C(=O)N=C(c3ccccc3)N=C2N1 c1ccc(cc1)[*:1] O=C1C[C@H](c2ccc(cc2)OCc2ccc(Cl)cc2)[C@H]2C(=O)N=C(N=C2N1)[*:1]
O=C1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)[C@H]2C(=O)N=C(c3ccccc3)N=C2N1 Clc1ccc(cc1)[*:1] O=C1C[C@H](c2ccc(cc2)OC[*:1])[C@H]2C(=O)N=C(N=C2N1)c1ccccc1
O=C1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)[C@H]2C(=O)N=C(c3ccccc3)N=C2N1 Clc1ccc(cc1)C[*:1] O=C1C[C@H](c2ccc(cc2)O[*:1])[C@H]2C(=O)N=C(N=C2N1)c1ccccc1
O=C1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)[C@H]2C(=O)N=C(c3ccccc3)N=C2N1 Clc1ccc(cc1)CO[*:1] O=C1C[C@H](c2ccc(cc2)[*:1])[C@H]2C(=O)N=C(N=C2N1)c1ccccc1
C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@@H](Oc1cccc(Br)c1)C(=O)NC[*:1]
C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@@H](Oc1cccc(Br)c1)C(=O)N[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)c(c1)C[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)c(c1)[*:1]
C=CC[n+]1c(N)sc2cc(SC)ccc21 C=CC[*:1] CSc1ccc2c(c1)sc(N)[n+]2[*:1]
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2nccs2)CC1 Fc1ccccc1[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)N1CCN(CC1)c1nccs1
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(CC1)[*:1]
CC[C@H](NC(=O)COCC[NH3+])c1cccs1 [NH3+]CCO[*:1] CC[C@H](NC(=O)C[*:1])c1cccs1
CC[C@H](NC(=O)COCC[NH3+])c1cccs1 [NH3+]CC[*:1] CC[C@H](NC(=O)CO[*:1])c1cccs1
CC[C@H](NC(=O)COCC[NH3+])c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)COCC[NH3+])[*:1]
CC[C@H](NC(=O)COCC[NH3+])c1cccs1 [NH3+]CCOC[*:1] CC[C@H](NC(=O)[*:1])c1cccs1
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])C[C@H](C)c2cccc(F)c2)s1 Cc1nc(C)c(s1)[*:1] C[C@@H](C/C([O-])=N/S(=O)(=O)[*:1])c1cccc(F)c1
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])C[C@H](C)c2cccc(F)c2)s1 Fc1cccc(c1)[*:1] Cc1nc(C)c(s1)S(=O)(=O)/N=C(\[O-])C[C@H](C)[*:1]
NC(=O)N[C@H](CC(=O)NCCc1cccc2ccccc12)c1cccs1 NC(=O)N[*:1] O=C(C[C@H](c1cccs1)[*:1])NCCc1cccc2ccccc12
NC(=O)N[C@H](CC(=O)NCCc1cccc2ccccc12)c1cccs1 c1csc(c1)[*:1] NC(=O)N[C@H](CC(=O)NCCc1cccc2ccccc12)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](C)CCC(C)(C)C)C1 CC(C)(C)C[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)N[C@H](C)C[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](C)CCC(C)(C)C)C1 CCOC(=O)[*:1] C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](C)CCC(C)(C)C)C1 CC(C)(C)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)N[C@H](C)CC[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](C)CCC(C)(C)C)C1 CC(C)(C)CC[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
CC[C@@H](C)NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O CC[C@@H](C)[*:1] Cc1ccc(cc1)-c1csc2ncn(CC(=O)N[*:1])c(=O)c12
CC[C@@H](C)NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O CC[C@@H](C)NC(=O)[*:1] Cc1ccc(cc1)-c1csc2ncn(C[*:1])c(=O)c12
CC[C@@H](C)NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O Cc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)Cn1cnc2scc(c2c1=O)[*:1]
CC[C@@H](C)NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O CC[C@@H](C)NC(=O)C[*:1] Cc1ccc(cc1)-c1csc2ncn(c(=O)c12)[*:1]
CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C)c(NC(C)=O)c(C)c1 Fc1ccccc1O[*:1] CC[C@H](C(=O)Nc1cc(C)c(NC(C)=O)c(C)c1)[*:1]
CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C)c(NC(C)=O)c(C)c1 CC(=O)N[*:1] CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C)c(c(C)c1)[*:1]
CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C)c(NC(C)=O)c(C)c1 Fc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)Nc1cc(C)c(NC(C)=O)c(C)c1
C[NH2+]C[C@@H](C)C(=O)NCCNC(C)=O CC(=O)N[*:1] C[NH2+]C[C@@H](C)C(=O)NCC[*:1]
CC(C)CN1C[C@H](c2[nH]cc(-c3ccc4ccccc4c3)[nH+]2)CC1=O CC(C)[*:1] O=C1C[C@H](CN1C[*:1])c1[nH]cc([nH+]1)-c1ccc2ccccc2c1
CC(C)CN1C[C@H](c2[nH]cc(-c3ccc4ccccc4c3)[nH+]2)CC1=O CC(C)C[*:1] O=C1C[C@H](CN1[*:1])c1[nH]cc([nH+]1)-c1ccc2ccccc2c1
O=C(NCC(O)(c1cccs1)c1cccs1)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCC(O)(c1cccs1)c1cccs1)Nc1ccc(cc1)[*:1]
O=C(NCC(O)(c1cccs1)c1cccs1)Nc1ccc(C(F)(F)F)cc1 c1csc(c1)[*:1] O=C(NCC(O)(c1cccs1)[*:1])Nc1ccc(cc1)C(F)(F)F
COc1ccccc1/C=c1\c(=O)oc2n1-c1oc(N)nc1[C@H](c1ccccc1OC)C=2C(N)=O NC(=O)[*:1] COc1ccccc1/C=c1\c(=O)oc2=C([C@@H](c3ccccc3OC)c3nc(N)oc3-n21)[*:1]
COc1ccccc1/C=c1\c(=O)oc2n1-c1oc(N)nc1[C@H](c1ccccc1OC)C=2C(N)=O COc1ccccc1[*:1] COc1ccccc1/C=c1\c(=O)oc2=C(C(N)=O)[C@@H](c3nc(N)oc3-n21)[*:1]
COc1ccccc1/C=c1\c(=O)oc2n1-c1oc(N)nc1[C@H](c1ccccc1OC)C=2C(N)=O COc1ccccc1[*:1] COc1ccccc1[C@@H]1C(C(N)=O)=c2oc(=O)c(=C[*:1])n2-c2oc(N)nc21
COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)S(=O)(=O)O[*:1] COc1cc(/C=C2/N=C(OC2=O)c2ccccc2F)ccc1[*:1]
COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 Fc1ccccc1[*:1] COc1cc(/C=C2/N=C(OC2=O)[*:1])ccc1OS(=O)(=O)c1ccc(C)cc1
COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1cc(/C=C2/N=C(OC2=O)c2ccccc2F)ccc1OS(=O)(=O)[*:1]
O=C([O-])c1cccc(OCC(F)F)c1 FC(F)[*:1] O=C([O-])c1cccc(c1)OC[*:1]
O=C([O-])c1cccc(OCC(F)F)c1 O=C([O-])[*:1] FC(F)COc1cccc(c1)[*:1]
O=C([O-])c1cccc(OCC(F)F)c1 FC(F)C[*:1] O=C([O-])c1cccc(c1)O[*:1]
C[C@@H]1C(=O)N[C@@H](C2CC2)C(=O)N1c1ccn(C)n1 C1CC1[*:1] C[C@@H]1C(=O)N[C@@H](C(=O)N1c1ccn(C)n1)[*:1]
C[C@@H]1C(=O)N[C@@H](C2CC2)C(=O)N1c1ccn(C)n1 Cn1ccc(n1)[*:1] C[C@@H]1C(=O)N[C@H](C(=O)N1[*:1])C1CC1
CN(CC1CC1)C(=O)c1nccn2ccnc12 C1CC1[*:1] CN(C[*:1])C(=O)c1nccn2ccnc12
CN(CC1CC1)C(=O)c1nccn2ccnc12 C1CC1C[*:1] CN(C(=O)c1nccn2ccnc12)[*:1]
O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)C3CC3)CO[C@H]12 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)C1CC1
O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)C3CC3)CO[C@H]12 c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)C1CC1
O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)C3CC3)CO[C@H]12 O=C(N[*:1])C1CC1 O=C(Nc1ccc(cc1)Oc1ccccc1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2[*:1]
O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)C3CC3)CO[C@H]12 C1CC1[*:1] O=C(Nc1ccc(cc1)Oc1ccccc1)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)[*:1]
C[C@H](NC(=O)c1cccc(CC#N)c1)C(C)(C)C[NH+](C)C N#CC[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])C(C)(C)C[NH+](C)C
CC(C)(C)c1nnnn1CC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)c1nnnn1CC(=O)N[*:1]
CC(C)(C)c1nnnn1CC(=O)Nc1ccccc1 CC(C)(C)[*:1] O=C(Cn1nnnc1[*:1])Nc1ccccc1
O=C(CCn1ccccc1=O)Nc1cccc(OC(F)F)c1 FC(F)[*:1] O=C(CCn1ccccc1=O)Nc1cccc(c1)O[*:1]
O=C(CCn1ccccc1=O)Nc1cccc(OC(F)F)c1 O=c1ccccn1[*:1] O=C(CC[*:1])Nc1cccc(c1)OC(F)F
O=C(CCn1ccccc1=O)Nc1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(CCn1ccccc1=O)Nc1cccc(c1)[*:1]
CCc1cc(N2CCC[C@@H](OCc3ccccc3)C2)n2nccc2n1 c1ccc(cc1)CO[*:1] CCc1cc(N2CCC[C@@H](C2)[*:1])n2nccc2n1
CCc1cc(N2CCC[C@@H](OCc3ccccc3)C2)n2nccc2n1 c1ccc(cc1)[*:1] CCc1cc(N2CCC[C@H](C2)OC[*:1])n2nccc2n1
CCc1cc(N2CCC[C@@H](OCc3ccccc3)C2)n2nccc2n1 c1ccc(cc1)C[*:1] CCc1cc(N2CCC[C@H](C2)O[*:1])n2nccc2n1
C[C@H](SCc1ccc(-n2cccn2)cc1)C(=O)NCc1ccc(F)cc1 c1cnn(c1)[*:1] C[C@H](SCc1ccc(cc1)[*:1])C(=O)NCc1ccc(F)cc1
C[C@H](SCc1ccc(-n2cccn2)cc1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](SCc1ccc(cc1)-n1cccn1)C(=O)NC[*:1]
C[C@H](SCc1ccc(-n2cccn2)cc1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@H](SCc1ccc(cc1)-n1cccn1)C(=O)N[*:1]
CCCC(=O)Nc1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1 CCC[*:1] Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1 CCCC(=O)N[*:1] Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CCCC(=O)Nc1ccc(cc1)CNS(=O)(=O)[*:1]
O=C(NCc1ccccc1CO)N[C@@H](Cc1ccccc1)c1cccs1 c1ccc(cc1)C[*:1] O=C(NCc1ccccc1CO)N[C@@H](c1cccs1)[*:1]
O=C(NCc1ccccc1CO)N[C@@H](Cc1ccccc1)c1cccs1 OCc1ccccc1[*:1] O=C(NC[*:1])N[C@@H](Cc1ccccc1)c1cccs1
O=C(NCc1ccccc1CO)N[C@@H](Cc1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1CO)N[C@@H](C[*:1])c1cccs1
O=C(NCc1ccccc1CO)N[C@@H](Cc1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(NCc1ccccc1CO)N[C@@H](Cc1ccccc1)[*:1]
Cc1nn(C[C@H](O)c2ccc(Cl)cc2)c(=O)c2ccccc12 Clc1ccc(cc1)[*:1] Cc1nn(C[C@H](O)[*:1])c(=O)c2ccccc12
O=C([O-])CCN1C(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2C1=O O=C([O-])C[*:1] O=C(Nc1ccc2C(=O)N(C[*:1])C(=O)c2c1)c1cc2ccccc2o1
O=C([O-])CCN1C(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2C1=O O=C([O-])[*:1] O=C(Nc1ccc2C(=O)N(CC[*:1])C(=O)c2c1)c1cc2ccccc2o1
O=C([O-])CCN1C(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2C1=O O=C([O-])CC[*:1] O=C(Nc1ccc2C(=O)N(C(=O)c2c1)[*:1])c1cc2ccccc2o1
O=C([O-])CCN1C(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2C1=O c1ccc2oc(cc2c1)[*:1] O=C([O-])CCN1C(=O)c2ccc(cc2C1=O)NC(=O)[*:1]
CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] CCc1ccc(cc1)N1C(=O)[C@H](Cc2ccc(C)c(C)c2)S/C1=C(\C#N)C(=O)N[*:1]
CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1C)C[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccco2)N(C1=O)[*:1]
CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)N1C(=O)[C@H](Cc2ccc(C)c(C)c2)S/C1=C(\C#N)C(=O)NC[*:1]
CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 Cc1ccc(cc1C)[*:1] CCc1ccc(cc1)N1C(=O)[C@H](C[*:1])S/C1=C(\C#N)C(=O)NCc1ccco1
CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 Cc1ccc(cc1C)C[*:1] CCc1ccc(cc1)N1C(=O)[C@H](S/C1=C(\C#N)C(=O)NCc1ccco1)[*:1]
CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] CCc1ccc(cc1)N1C(=O)[C@H](Cc2ccc(C)c(C)c2)SC1=C(C#N)[*:1]
Cn1cccc1C[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] Cn1cccc1C[NH2+][C@@H]1CCCC[C@H]1[*:1]
Cn1cccc1C[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] Cn1cccc1C[NH2+][C@@H]1CCCC[C@@H]1O[*:1]
Cn1cccc1C[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 Cn1cccc1[*:1] C1CCC(C1)O[C@H]1CCCC[C@H]1[NH2+]C[*:1]
Cc1ncc2c(c1CNC(=O)c1ccc(OC(F)F)cc1)CC[NH2+]C2 FC(F)[*:1] Cc1ncc2C[NH2+]CCc2c1CNC(=O)c1ccc(cc1)O[*:1]
Cc1ncc2c(c1CNC(=O)c1ccc(OC(F)F)cc1)CC[NH2+]C2 FC(F)O[*:1] Cc1ncc2C[NH2+]CCc2c1CNC(=O)c1ccc(cc1)[*:1]
CC(C)C[C@@H](C)NC(=O)c1c(F)ccc(N)c1F CC(C)[*:1] C[C@H](C[*:1])NC(=O)c1c(F)ccc(N)c1F
CC(C)C[C@@H](C)NC(=O)c1c(F)ccc(N)c1F CC(C)C[C@@H](C)[*:1] Nc1ccc(F)c(C(=O)N[*:1])c1F
CC(C)C[C@@H](C)NC(=O)c1c(F)ccc(N)c1F CC(C)C[*:1] C[C@@H](NC(=O)c1c(F)ccc(N)c1F)[*:1]
C[n+]1c(NC(=S)Nc2ccccc2)sc2c1CCCC2 c1ccc(cc1)[*:1] C[n+]1c(NC(=S)N[*:1])sc2CCCCc21
CC1=[N+]([O-])C2(CCCCC2)[N+]([O-])=C1c1ccccc1 c1ccc(cc1)[*:1] CC1C(=[N+]([O-])C2(CCCCC2)[N+]=1[O-])[*:1]
CCOC(=O)CNC(=O)CSc1nc(C)c(C)c(=O)[nH]1 CCOC(=O)C[*:1] Cc1nc([nH]c(=O)c1C)SCC(=O)N[*:1]
CCOC(=O)CNC(=O)CSc1nc(C)c(C)c(=O)[nH]1 CCOC(=O)[*:1] Cc1nc([nH]c(=O)c1C)SCC(=O)NC[*:1]
Cc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nccs1)c1cc2ccc(O)cc2oc1=[NH+][*:1]
Cc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1 O=C(Nc1nccs1)[*:1] Cc1ccc(cc1)/[NH+]=c1\oc2cc(O)ccc2cc1[*:1]
Cc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] Cc1ccc(cc1)/[NH+]=c1\oc2cc(O)ccc2cc1C(=O)N[*:1]
CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)S(=O)(=O)[*:1]
CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)S(=O)(=O)c1ccccc1
CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1 O=S(=O)(c1ccccc1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCC(C)(C)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCc1nn(C)cc1NC(=O)C(=O)NCC(C)(C)[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCC(C)(C)c1cccc(C)c1 CCc1nn(C)cc1[*:1] Cc1cccc(c1)C(C)(C)CNC(=O)C(=O)N[*:1]
CCn1c(C(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc2cc(S(=O)(=O)N(C)C)ccc21 Cc1cccc(c1)[*:1] CCn1c(cc2cc(ccc21)S(=O)(=O)N(C)C)C(=O)N1CCN([C@@H](C)C1)[*:1]
CCn1c(C(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] CCn1c(cc2cc(ccc21)[*:1])C(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1
CC(C)c1n[nH]c(=S)n1CCNC(=O)CN(C)C(=O)c1cccs1 CC(C)[*:1] CN(CC(=O)NCCn1c(n[nH]c1=S)[*:1])C(=O)c1cccs1
CC(C)c1n[nH]c(=S)n1CCNC(=O)CN(C)C(=O)c1cccs1 c1csc(c1)[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)CN(C)C(=O)[*:1]
CC(=O)N1CCC(C(=O)Nc2sccc2C(=O)[O-])CC1 O=C([O-])[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1sccc1[*:1]
C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(F)c2)o1 Fc1cccc(c1)[*:1] C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)CC(=O)N[*:1])o1
Cc1ccc(N2/C(=N/C(=O)Cc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1F Clc1ccc(cc1)C[*:1] Cc1ccc(cc1F)N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
Cc1ccc(N2/C(=N/C(=O)Cc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1F Clc1ccc(cc1)[*:1] Cc1ccc(cc1F)N1/C(=N/C(=O)C[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
Cc1ccc(N2/C(=N/C(=O)Cc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1F Cc1ccc(cc1F)[*:1] O=C(Cc1ccc(Cl)cc1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
O=C(COc1ccccc1F)NCc1cc(Cl)c2c(c1)OCCO2 Fc1ccccc1O[*:1] O=C(C[*:1])NCc1cc(Cl)c2OCCOc2c1
O=C(COc1ccccc1F)NCc1cc(Cl)c2c(c1)OCCO2 Fc1ccccc1[*:1] O=C(CO[*:1])NCc1cc(Cl)c2OCCOc2c1
Cc1cc(Br)c(O)c(C(=O)Nc2ccccc2CC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] Cc1cc(Br)c(O)c(c1)C(=O)Nc1ccccc1[*:1]
Cc1cc(Br)c(O)c(C(=O)Nc2ccccc2CC(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1cc(Br)c(O)c(c1)C(=O)Nc1ccccc1C[*:1]
COCCC(=O)Nc1ccc(SC2CCCCC2)cc1C C1CCC(CC1)[*:1] COCCC(=O)Nc1ccc(cc1C)S[*:1]
COCCC(=O)Nc1ccc(SC2CCCCC2)cc1C C1CCC(CC1)S[*:1] COCCC(=O)Nc1ccc(cc1C)[*:1]
COCCC(=O)Nc1ccc(SC2CCCCC2)cc1C COCCC(=O)N[*:1] Cc1cc(ccc1[*:1])SC1CCCCC1
COCCC(=O)Nc1ccc(SC2CCCCC2)cc1C COCC[*:1] Cc1cc(ccc1NC(=O)[*:1])SC1CCCCC1
COCCC(=O)Nc1ccc(SC2CCCCC2)cc1C COC[*:1] Cc1cc(ccc1NC(=O)C[*:1])SC1CCCCC1
CCC[NH+]1CCc2nc(NC(=O)CSc3ccc(C)cc3)sc2C1 Cc1ccc(cc1)[*:1] CCC[NH+]1CCc2nc(NC(=O)CS[*:1])sc2C1
CCC[NH+]1CCc2nc(NC(=O)CSc3ccc(C)cc3)sc2C1 CCC[*:1] Cc1ccc(cc1)SCC(=O)Nc1nc2CC[NH+](Cc2s1)[*:1]
CCC[NH+]1CCc2nc(NC(=O)CSc3ccc(C)cc3)sc2C1 Cc1ccc(cc1)S[*:1] CCC[NH+]1CCc2nc(NC(=O)C[*:1])sc2C1
C=CCNC(=S)Nc1cccc(C(=O)N2CC[NH+](C)CC2)c1 C=CC[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=S)N[*:1]
C=CCNC(=S)Nc1cccc(C(=O)N2CC[NH+](C)CC2)c1 C=CCNC(=S)N[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)[*:1]
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccnc1 Brc1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(o1)[*:1])c1cccnc1
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccnc1 c1cncc(c1)[*:1] O=C(N/N=C/c1ccc(o1)-c1ccc(Br)cc1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1SCC(=O)NCc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] Cc1nn(c(C)c1SCC(=O)NCc1ccc2OCOc2c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1SCC(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1nn(-c2ccccc2)c(C)c1SCC(=O)NC[*:1]
Fc1cccc(C[NH+]2CCC(c3nnc4ccccn34)CC2)c1Cl Fc1cccc(c1Cl)[*:1] c1ccn2c(nnc2c1)C1CC[NH+](CC1)C[*:1]
O[C@H]1CCC[C@]1([NH2+]Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O[C@H]1CCC[C@@]1([NH2+]Cc1ccccc1)[*:1]
O[C@H]1CCC[C@]1([NH2+]Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O[C@H]1CCC[C@]1([NH2+]C[*:1])c1ccccc1
Cc1ccc(C(=O)NC2CC[NH+](Cc3nc(C(C)C)no3)CC2)s1 CC(C)[*:1] Cc1ccc(s1)C(=O)NC1CC[NH+](CC1)Cc1nc(no1)[*:1]
Cc1ccc(C(=O)NC2CC[NH+](Cc3nc(C(C)C)no3)CC2)s1 CC(C)c1noc(n1)[*:1] Cc1ccc(s1)C(=O)NC1CC[NH+](CC1)C[*:1]
Cc1ccc(C(=O)NC2CC[NH+](Cc3nc(C(C)C)no3)CC2)s1 Cc1ccc(s1)[*:1] CC(C)c1noc(C[NH+]2CCC(CC2)NC(=O)[*:1])n1
O=S(=O)(Cc1ncn(-c2ccccc2)n1)C[C@@H](O)c1ccccc1F c1ccc(cc1)[*:1] O=S(=O)(Cc1ncn(n1)[*:1])C[C@@H](O)c1ccccc1F
O=S(=O)(Cc1ncn(-c2ccccc2)n1)C[C@@H](O)c1ccccc1F Fc1ccccc1[*:1] O=S(=O)(Cc1ncn(n1)-c1ccccc1)C[C@@H](O)[*:1]
COc1cc(OC)cc([C@@H](O)CNCc2ccc(Cl)nc2)c1 Clc1ccc(cn1)[*:1] COc1cc(cc(c1)[C@@H](O)CNC[*:1])OC
C=CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nnco2)ccc1C c1ccc(cc1)C[*:1] C=CCN(C(=O)Nc1cc(ccc1C)-c1nnco1)[*:1]
C=CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nnco2)ccc1C C=CC[*:1] Cc1ccc(cc1NC(=O)N(Cc1ccccc1)[*:1])-c1nnco1
C=CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nnco2)ccc1C c1nnc(o1)[*:1] C=CCN(Cc1ccccc1)C(=O)Nc1cc(ccc1C)[*:1]
C=CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nnco2)ccc1C c1ccc(cc1)[*:1] C=CCN(C[*:1])C(=O)Nc1cc(ccc1C)-c1nnco1
Cc1nc(N(C)Cc2ccccc2)c2c([nH+]1)CC[NH+](Cc1ccccc1)C2 c1ccc(cc1)[*:1] Cc1nc(c2C[NH+](CCc2[nH+]1)Cc1ccccc1)N(C)C[*:1]
Cc1nc(N(C)Cc2ccccc2)c2c([nH+]1)CC[NH+](Cc1ccccc1)C2 c1ccc(cc1)C[*:1] Cc1nc(c2C[NH+](CCc2[nH+]1)[*:1])N(C)Cc1ccccc1
Cc1nc(N(C)Cc2ccccc2)c2c([nH+]1)CC[NH+](Cc1ccccc1)C2 c1ccc(cc1)[*:1] Cc1nc(c2C[NH+](CCc2[nH+]1)C[*:1])N(C)Cc1ccccc1
Cc1nc(N(C)Cc2ccccc2)c2c([nH+]1)CC[NH+](Cc1ccccc1)C2 c1ccc(cc1)C[*:1] Cc1nc(c2C[NH+](CCc2[nH+]1)Cc1ccccc1)N(C)[*:1]
Cc1nc(N(C)Cc2ccccc2)c2c([nH+]1)CC[NH+](Cc1ccccc1)C2 CN(Cc1ccccc1)[*:1] Cc1nc(c2C[NH+](CCc2[nH+]1)Cc1ccccc1)[*:1]
O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ncc(Cl)cc1Cl Clc1ccccc1[*:1] O=C(CSc1nnc(CO[*:1])o1)Nc1ncc(Cl)cc1Cl
O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ncc(Cl)cc1Cl Clc1ccccc1O[*:1] O=C(CSc1nnc(C[*:1])o1)Nc1ncc(Cl)cc1Cl
O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ncc(Cl)cc1Cl Clc1cnc(c(Cl)c1)[*:1] O=C(CSc1nnc(COc2ccccc2Cl)o1)N[*:1]
O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ncc(Cl)cc1Cl Clc1ccccc1OC[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ncc(Cl)cc1Cl
Cc1ccc(-c2n[nH]cc2C[NH+](C)CCNS(C)(=O)=O)o1 CS(=O)(=O)N[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH+](C)CC[*:1]
Cc1ccc(-c2n[nH]cc2C[NH+](C)CCNS(C)(=O)=O)o1 Cc1ccc(o1)[*:1] C[NH+](CCNS(C)(=O)=O)Cc1c[nH]nc1[*:1]
Cc1ccc(-c2n[nH]cc2C[NH+](C)CCNS(C)(=O)=O)o1 CS(=O)(=O)NCC[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH+](C)[*:1]
Cc1ccc(-c2n[nH]cc2C[NH+](C)CCNS(C)(=O)=O)o1 CS(=O)(=O)NC[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH+](C)C[*:1]
Cc1ccc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)c(C)c1 FC(F)O[*:1] Cc1ccc(C(=O)NC[C@H](O)c2cccc(c2)[*:1])c(C)c1
Cc1ccc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)c(C)c1 FC(F)[*:1] Cc1ccc(C(=O)NC[C@H](O)c2cccc(c2)O[*:1])c(C)c1
Cc1ccc(C(=O)NC[C@H](O)c2cccc(OC(F)F)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)[*:1]
c1ccc(COCCc2cccc3ccnn23)cc1 c1ccc(cc1)[*:1] c1cc(CCOC[*:1])n2nccc2c1
c1ccc([C@@H](NCc2cnc(-c3cccs3)s2)c2ccccn2)cc1 c1csc(c1)[*:1] c1ccc(cc1)[C@@H](NCc1cnc(s1)[*:1])c1ccccn1
c1ccc([C@@H](NCc2cnc(-c3cccs3)s2)c2ccccn2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)[C@H](NCc1cnc(s1)-c1cccs1)[*:1]
c1ccc([C@@H](NCc2cnc(-c3cccs3)s2)c2ccccn2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)[C@@H](NCc1cnc(s1)-c1cccs1)[*:1]
Cc1ccc([C@H]2SCC(=O)N2c2ccc(Br)c(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ccc1Br)N1C(=O)CS[C@@H]1[*:1]
c1cnc(N2CCC[C@H](CNc3ncnc4[nH]cnc34)C2)nc1 c1cnc(nc1)[*:1] c1nc(NC[C@H]2CCCN(C2)[*:1])c2nc[nH]c2n1
O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1cc(F)ccc1F Oc1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])Nc1cc(F)ccc1F
O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(CSc1nnnn1-c1ccc(O)cc1)N[*:1]
O=C(NCCc1cscn1)Nc1ccccn1 c1nc(cs1)[*:1] O=C(NCC[*:1])Nc1ccccn1
C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)NC1CCCC1 Clc1ccc(s1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)NC1CCCC1
C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)N[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)C1 Fc1ccccc1[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CN(Cc1cccc(NN)[nH+]1)Cc1cc(Br)cs1 Brc1csc(c1)[*:1] CN(Cc1cccc(NN)[nH+]1)C[*:1]
O=C(CCSc1ccc(F)cc1)Nc1nc(-c2nc3ccccc3s2)cs1 Fc1ccc(cc1)S[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1nc2ccccc2s1
O=C(CCSc1ccc(F)cc1)Nc1nc(-c2nc3ccccc3s2)cs1 Fc1ccc(cc1)SC[*:1] O=C(C[*:1])Nc1nc(cs1)-c1nc2ccccc2s1
O=C(CCSc1ccc(F)cc1)Nc1nc(-c2nc3ccccc3s2)cs1 c1ccc2sc(nc2c1)[*:1] O=C(CCSc1ccc(F)cc1)Nc1nc(cs1)[*:1]
O=C(CCSc1ccc(F)cc1)Nc1nc(-c2nc3ccccc3s2)cs1 Fc1ccc(cc1)[*:1] O=C(CCS[*:1])Nc1nc(cs1)-c1nc2ccccc2s1
CC(C)[C@H]1NC(=O)CCN(C2C(C)(C)C2(C)C)C1=O CC(C)[*:1] CC1(C)C(N2CCC(=O)N[C@@H](C2=O)[*:1])C1(C)C
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](SCCCO)C1 OCCCS[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)[*:1])C(N)=O
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](SCCCO)C1 OCCC[*:1] CC(C)[NH2+][C@]1(CC[C@H](C1)S[*:1])C(N)=O
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](SCCCO)C1 NC(=O)[*:1] CC(C)[NH2+][C@]1(CC[C@H](C1)SCCCO)[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](SCCCO)C1 OCC[*:1] CC(C)[NH2+][C@]1(CC[C@H](C1)SC[*:1])C(N)=O
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](SCCCO)C1 CC(C)[*:1] NC(=O)[C@@]1(CC[C@H](C1)SCCCO)[NH2+][*:1]
Fc1ccccc1-c1noc2c1CN(Cc1cccs1)CC2 Fc1ccccc1[*:1] c1csc(c1)CN1CCc2onc(c2C1)[*:1]
Fc1ccccc1-c1noc2c1CN(Cc1cccs1)CC2 c1csc(c1)[*:1] Fc1ccccc1-c1noc2CCN(Cc12)C[*:1]
Fc1ccccc1-c1noc2c1CN(Cc1cccs1)CC2 c1csc(c1)C[*:1] Fc1ccccc1-c1noc2CCN(Cc12)[*:1]
CCOc1cccc2cc(-c3csc(NC(=O)Nc4ccccc4OC)n3)oc12 COc1ccccc1[*:1] CCOc1cccc2cc(oc12)-c1csc(n1)NC(=O)N[*:1]
CCOc1cccc2cc(-c3csc(NC(=O)Nc4ccccc4OC)n3)oc12 CCO[*:1] COc1ccccc1NC(=O)Nc1nc(cs1)-c1cc2cccc(c2o1)[*:1]
Cn1ncnc1NC(=O)NC1CCN(c2cccs2)CC1 c1csc(c1)[*:1] Cn1ncnc1NC(=O)NC1CCN(CC1)[*:1]
Cn1ncnc1NC(=O)NC1CCN(c2cccs2)CC1 Cn1ncnc1[*:1] O=C(NC1CCN(CC1)c1cccs1)N[*:1]
CC(C)c1nc([C@@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 CC(C)[*:1] C[C@H](N[C@H](C)c1csc(n1)[*:1])c1ccc(cc1)S(C)(=O)=O
CC(C)c1nc([C@@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 CS(=O)(=O)[*:1] CC(C)c1nc(cs1)[C@@H](C)N[C@@H](C)c1ccc(cc1)[*:1]
CN(C)c1ccccc1NC(=O)c1nnn[n-]1 CN(C)[*:1] O=C(Nc1ccccc1[*:1])c1nnn[n-]1
Cc1cc(C)n(Cc2cccc(NC(=O)CCn3ncc4cc(Cl)ccc43)c2)n1 Cc1cc(C)n(n1)[*:1] O=C(CCn1ncc2cc(Cl)ccc21)Nc1cccc(c1)C[*:1]
Cc1cc(C)n(Cc2cccc(NC(=O)CCn3ncc4cc(Cl)ccc43)c2)n1 Cc1cc(C)n(C[*:1])n1 O=C(CCn1ncc2cc(Cl)ccc21)Nc1cccc(c1)[*:1]
CCn1c(=O)c2c(nc3n(CCOC)c(C)cn23)n(C)c1=O COC[*:1] CCn1c(=O)c2c(nc3n(C[*:1])c(C)cn23)n(C)c1=O
CCn1c(=O)c2c(nc3n(CCOC)c(C)cn23)n(C)c1=O COCC[*:1] CCn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
CC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccccc1F CC[C@@H](C)[*:1] C[C@H](c1ccccc1F)N(C)C(=O)N[*:1]
COc1ccnc(N(Cc2ccccc2OC)C2CC2)n1 C1CC1[*:1] COc1ccnc(n1)N(Cc1ccccc1OC)[*:1]
COc1ccc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)CN(C)S(=O)(=O)c1ccc(C)c(c1)[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 C1CCC(CC1)[*:1] CC(C)C[C@H](NC(N)=O)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 NC(=O)N[*:1] CC(C)C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C1CCCCC1)[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 CC(C)C[*:1] NC(=O)N[C@H](C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C1CCCCC1)[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 CC(C)[*:1] NC(=O)N[C@@H](C[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C1CCCCC1
NC1=[NH+]C[C@H](c2cccc(F)c2F)N1C1CCCC1 C1CCC(C1)[*:1] NC1=[NH+]C[C@H](c2cccc(F)c2F)N1[*:1]
C=CCNc1ncnc(Oc2ccc(C)c(C)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] C=CCNc1ncnc(Oc2ccc(C)c(C)c2)c1[*:1]
C=CCNc1ncnc(Oc2ccc(C)c(C)c2)c1[N+](=O)[O-] C=CC[*:1] Cc1ccc(cc1C)Oc1ncnc(N[*:1])c1[N+](=O)[O-]
C=CCNc1ncnc(Oc2ccc(C)c(C)c2)c1[N+](=O)[O-] C=CCN[*:1] Cc1ccc(cc1C)Oc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1ccccc1CC(C)(C)NC(=O)CNC(=O)c1cc2ccccc2[nH]1 Cc1ccccc1C[*:1] CC(C)(NC(=O)CNC(=O)c1cc2ccccc2[nH]1)[*:1]
Cc1ccccc1CC(C)(C)NC(=O)CNC(=O)c1cc2ccccc2[nH]1 Cc1ccccc1[*:1] CC(C)(C[*:1])NC(=O)CNC(=O)c1cc2ccccc2[nH]1
Cc1ccccc1CC(C)(C)NC(=O)CNC(=O)c1cc2ccccc2[nH]1 c1ccc2[nH]c(cc2c1)[*:1] Cc1ccccc1CC(C)(C)NC(=O)CNC(=O)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCCCO[C@@H]2CCOC2)C1 C1C[C@H](CO1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCCCO[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCCCO[C@@H]2CCOC2)C1 C1C[C@H](CO1)OC[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCC[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCCCO[C@@H]2CCOC2)C1 C1C[C@H](CO1)O[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCCC[*:1]
Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H](Nc4ccccc4)C3)cc2)co1 c1ccc(cc1)[*:1] Cc1nc(co1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)N[*:1]
Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H](Nc4ccccc4)C3)cc2)co1 c1ccc(cc1)N[*:1] Cc1nc(co1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H](Nc4ccccc4)C3)cc2)co1 Cc1nc(co1)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC[C@@H](C1)Nc1ccccc1
C[C@H](C(=O)NC[C@@H](c1ccccc1F)[NH+]1CCCC1)N1C(=O)NC(C)(C)C1=O Fc1ccccc1[*:1] C[C@H](C(=O)NC[C@@H]([NH+]1CCCC1)[*:1])N1C(=O)NC(C)(C)C1=O
C[C@H](C(=O)NC[C@@H](c1ccccc1F)[NH+]1CCCC1)N1C(=O)NC(C)(C)C1=O CC1(C)NC(=O)N(C1=O)[*:1] C[C@H](C(=O)NC[C@@H](c1ccccc1F)[NH+]1CCCC1)[*:1]
C[C@H]1CCC[C@H](CS[C@@H](C)C(=O)N(C)C)C1 CN(C)C(=O)[*:1] C[C@H]1CCC[C@H](CS[C@@H](C)[*:1])C1
CC[C@H](C)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 CC(C)[*:1] CC[C@H](C)[C@@H](C[NH3+])c1ccc(cc1)[*:1]
CC[C@H](C)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 CC[C@H](C)[*:1] CC(C)c1ccc(cc1)[C@H](C[NH3+])[*:1]
CN(Cc1ncnn1C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] Cn1ncnc1[*:1] CN(C[*:1])c1cc(Cl)c(cc1[N+](=O)[O-])C(F)(F)F
CN(Cc1ncnn1C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(Cc1ncnn1C)c1cc(Cl)c(cc1[*:1])C(F)(F)F
CN(Cc1ncnn1C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] Cn1ncnc1C[*:1] CN(c1cc(Cl)c(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
CN(Cc1ncnn1C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] CN(Cc1ncnn1C)c1cc(Cl)c(cc1[N+](=O)[O-])[*:1]
CCCCN(CC)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CCCC[*:1] CCN(C(=O)N[C@H]1CCC[C@H](C1)S(C)(=O)=O)[*:1]
CCCCN(CC)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCCCN(CC)C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CCCCN(CC)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CCC[*:1] CCN(C[*:1])C(=O)N[C@H]1CCC[C@H](C1)S(C)(=O)=O
Cc1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(S(C)(=O)=O)cccc3s2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2c(cccc2s1)S(C)(=O)=O
Cc1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(S(C)(=O)=O)cccc3s2)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)C(=O)N(CC[NH+](C)C)c1nc2c(cccc2s1)[*:1]
CCNC(=S)N/N=C(\C)c1ccc(N2CCCCCC2)cc1 C1CCCN(CC1)[*:1] CCNC(=S)N/N=C(\C)c1ccc(cc1)[*:1]
COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3C=C(c4cccc(OC)c4)N=N3)CC2)cc1 COc1ccc(cc1)C[*:1] COc1cccc(c1)C1=C[C@H](N=N1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3C=C(c4cccc(OC)c4)N=N3)CC2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)C1=C[C@H](N=N1)C(=O)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3C=C(c4cccc(OC)c4)N=N3)CC2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)CC(=O)N1CCN(CC1)C(=O)[C@@H]1C=C(N=N1)[*:1]
Brc1ccc(-c2nnc(COc3ccccc3Br)o2)cc1 Brc1ccc(cc1)[*:1] Brc1ccccc1OCc1nnc(o1)[*:1]
Brc1ccc(-c2nnc(COc3ccccc3Br)o2)cc1 Brc1ccccc1[*:1] Brc1ccc(cc1)-c1nnc(CO[*:1])o1
O=C(c1cc2sccc2n1C1CCCC1)N1CCCCC1 C1CCC(C1)[*:1] O=C(c1cc2sccc2n1[*:1])N1CCCCC1
CS(=O)(=O)N1CCC[C@H](C[C@H]([NH3+])Cc2ccccc2Cl)C1 Clc1ccccc1[*:1] CS(=O)(=O)N1CCC[C@H](C[C@H]([NH3+])C[*:1])C1
CCOc1ccccc1-c1nc(CN2CCN(C(=O)c3ccco3)CC2)c(C)o1 CCOc1ccccc1[*:1] Cc1oc(nc1CN1CCN(CC1)C(=O)c1ccco1)[*:1]
CCOc1ccccc1-c1nc(CN2CCN(C(=O)c3ccco3)CC2)c(C)o1 CCO[*:1] Cc1oc(nc1CN1CCN(CC1)C(=O)c1ccco1)-c1ccccc1[*:1]
CCOc1ccccc1-c1nc(CN2CCN(C(=O)c3ccco3)CC2)c(C)o1 c1coc(c1)[*:1] CCOc1ccccc1-c1nc(CN2CCN(CC2)C(=O)[*:1])c(C)o1
Cc1nn(C)c(C)c1CC(=O)NCC1(CC(C)C)CCCC1 CC(C)[*:1] Cc1nn(C)c(C)c1CC(=O)NCC1(CCCC1)C[*:1]
Cc1nn(C)c(C)c1CC(=O)NCC1(CC(C)C)CCCC1 CC(C)C[*:1] Cc1nn(C)c(C)c1CC(=O)NCC1(CCCC1)[*:1]
CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(F)(F)F)c3)C(=O)[C@@H]2C1 FC(F)(F)[*:1] CC1=CC[C@H]2C(=O)N(C(=O)[C@@H]2C1)c1cccc(c1)C(=O)Nc1ccccc1[*:1]
CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(F)(F)F)c3)C(=O)[C@@H]2C1 FC(F)(F)c1ccccc1[*:1] CC1=CC[C@H]2C(=O)N(C(=O)[C@@H]2C1)c1cccc(c1)C(=O)N[*:1]
CCc1ncc2c(n1)CN(C(=O)[C@H](c1ccc(C)cc1)N(C)C)C2 CN(C)[*:1] CCc1ncc2CN(Cc2n1)C(=O)[C@H](c1ccc(C)cc1)[*:1]
CCc1ncc2c(n1)CN(C(=O)[C@H](c1ccc(C)cc1)N(C)C)C2 Cc1ccc(cc1)[*:1] CCc1ncc2CN(Cc2n1)C(=O)[C@H](N(C)C)[*:1]
CSCCc1ccc(NC(=O)C(=O)N2CCc3cc(F)ccc3C2)cc1 CSCC[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CCc2cc(F)ccc2C1
CSCCc1ccc(NC(=O)C(=O)N2CCc3cc(F)ccc3C2)cc1 CSC[*:1] O=C(Nc1ccc(cc1)C[*:1])C(=O)N1CCc2cc(F)ccc2C1
CC(=O)N1CCN(Cc2cc(N3CC[C@](O)(C(F)(F)F)C3)cc[nH+]2)CC1 FC(F)(F)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N1CC[C@](O)(C1)[*:1]
COc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1 FC(F)(F)O[*:1] COc1ccc(cn1)-c1ccc(cc1)[*:1]
COc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1 FC(F)(F)[*:1] COc1ccc(cn1)-c1ccc(cc1)O[*:1]
CC(C)[C@@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
CC(C)[C@@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)C(=O)N1CCOCC1 CC(C)[*:1] O=C(N[C@@H](C(=O)N1CCOCC1)[*:1])[C@@H]1COc2ccc(F)cc2C1
Cc1cc([C@]2(C)NC(=O)N(CCOc3ccccc3F)C2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@]1(NC(=O)N(CCOc2ccccc2F)C1=O)[*:1]
Cc1cc([C@]2(C)NC(=O)N(CCOc3ccccc3F)C2=O)c(C)o1 Fc1ccccc1O[*:1] Cc1cc(c(C)o1)[C@]1(C)NC(=O)N(CC[*:1])C1=O
Cc1cc([C@]2(C)NC(=O)N(CCOc3ccccc3F)C2=O)c(C)o1 Fc1ccccc1[*:1] Cc1cc(c(C)o1)[C@]1(C)NC(=O)N(CCO[*:1])C1=O
Cc1ccc(SCC(=O)NNC(=O)CNC(=O)c2ccc(Br)cc2)cc1 Cc1ccc(cc1)S[*:1] O=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)C[*:1]
Cc1ccc(SCC(=O)NNC(=O)CNC(=O)c2ccc(Br)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)CS[*:1]
Cc1ccc(SCC(=O)NNC(=O)CNC(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)SCC(=O)NNC(=O)CNC(=O)[*:1]
C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccc2[nH]c(=O)[nH]c2c1 CC(C)(C)[*:1] C[C@H]([NH2+]C[C@H]1CCCO[C@H]1[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CCOCCNC(=O)N1CCN(Cc2csc(C)n2)CC1 CCOC[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)NC[*:1]
CCOCCNC(=O)N1CCN(Cc2csc(C)n2)CC1 CCO[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)NCC[*:1]
CCOCCNC(=O)N1CCN(Cc2csc(C)n2)CC1 Cc1nc(cs1)[*:1] CCOCCNC(=O)N1CCN(CC1)C[*:1]
CCOCCNC(=O)N1CCN(Cc2csc(C)n2)CC1 CCOCC[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)N[*:1]
CCOCCNC(=O)N1CCN(Cc2csc(C)n2)CC1 Cc1nc(cs1)C[*:1] CCOCCNC(=O)N1CCN(CC1)[*:1]
Cc1cc(C(=O)CN2CCC(NC(=O)c3cnn(C)c3)CC2)c(C)[nH]1 Cc1cc(c(C)[nH]1)[*:1] Cn1cc(cn1)C(=O)NC1CCN(CC1)CC(=O)[*:1]
Cc1cc(C(=O)CN2CCC(NC(=O)c3cnn(C)c3)CC2)c(C)[nH]1 Cn1cc(cn1)[*:1] Cc1cc(C(=O)CN2CCC(CC2)NC(=O)[*:1])c(C)[nH]1
CCc1ccc(C2=CCN(C(=O)N[C@@H](C)CS(=O)(=O)CC)CC2)cc1 CCS(=O)(=O)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)N[C@@H](C)C[*:1]
CCc1ccc(C2=CCN(C(=O)N[C@@H](C)CS(=O)(=O)CC)CC2)cc1 CCc1ccc(cc1)[*:1] CCS(=O)(=O)C[C@H](C)NC(=O)N1CC=C(CC1)[*:1]
CCc1ccc(C2=CCN(C(=O)N[C@@H](C)CS(=O)(=O)CC)CC2)cc1 CCS(=O)(=O)C[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)N[C@@H](C)[*:1]
Cc1cccc(C)c1OCC(=O)NC[C@H](C)c1ccsc1 c1cc(cs1)[*:1] Cc1cccc(C)c1OCC(=O)NC[C@H](C)[*:1]
CC(=O)c1cccc(NC(=O)Cn2cnnn2)c1 c1nnnn1C[*:1] CC(=O)c1cccc(c1)NC(=O)[*:1]
CC(=O)c1cccc(NC(=O)Cn2cnnn2)c1 CC(=O)[*:1] O=C(Cn1cnnn1)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)Cn2cnnn2)c1 c1nnnn1[*:1] CC(=O)c1cccc(c1)NC(=O)C[*:1]
C[C@@H](NCc1cnc(N(C)C)s1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@@H](NCc1cnc(s1)N(C)C)c1ccc(cc1)[*:1]
C[C@@H](NCc1cnc(N(C)C)s1)c1ccc(OC(F)F)cc1 CN(C)[*:1] C[C@@H](NCc1cnc(s1)[*:1])c1ccc(cc1)OC(F)F
C[C@@H](NCc1cnc(N(C)C)s1)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@@H](NCc1cnc(s1)N(C)C)c1ccc(cc1)O[*:1]
COCCOc1ncccc1NC(=O)N1CCC[C@H](C)CC1 COCC[*:1] C[C@H]1CCCN(CC1)C(=O)Nc1cccnc1O[*:1]
COCCOc1ncccc1NC(=O)N1CCC[C@H](C)CC1 COCCO[*:1] C[C@H]1CCCN(CC1)C(=O)Nc1cccnc1[*:1]
COCCOc1ncccc1NC(=O)N1CCC[C@H](C)CC1 COC[*:1] C[C@H]1CCCN(CC1)C(=O)Nc1cccnc1OC[*:1]
COC(CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O)OC COC(CNC(=O)[*:1])OC O=C1c2ccccc2S(=O)(=O)c2ccc(cc2N1Cc1ccc(F)cc1)[*:1]
COC(CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O)OC Fc1ccc(cc1)C[*:1] COC(CNC(=O)c1ccc2c(c1)N(C(=O)c1ccccc1S2(=O)=O)[*:1])OC
COC(CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O)OC COC(C[*:1])OC O=C(N[*:1])c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O
COC(CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O)OC COC(OC)[*:1] O=C(NC[*:1])c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O
COC(CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O)OC Fc1ccc(cc1)[*:1] COC(CNC(=O)c1ccc2c(c1)N(C[*:1])C(=O)c1ccccc1S2(=O)=O)OC
COCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21 FC(F)[*:1] COCCn1c(=S)[nH]c(=O)c2c(cc(nc21)C12CC3CC(CC(C3)C1)C2)[*:1]
COCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21 COCC[*:1] O=c1[nH]c(=S)n(c2nc(cc(c12)C(F)F)C12CC3CC(CC(C3)C1)C2)[*:1]
COCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21 COC[*:1] O=c1[nH]c(=S)n(C[*:1])c2nc(cc(c12)C(F)F)C12CC3CC(CC(C3)C1)C2
C[C@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
C[C@H]([NH2+][C@@H](c1ccccc1)C1CCCC1)c1ccc2[nH]c(=O)[nH]c2c1 C1CCC(C1)[*:1] C[C@H]([NH2+][C@@H](c1ccccc1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
C[C@H]([NH2+][C@@H](c1ccccc1)C1CCCC1)c1ccc2[nH]c(=O)[nH]c2c1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H](C1CCCC1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CC(C)CC1=C[C@@H](C(=O)N[C@@H](C)C2=N[C@H]3SC=NN3C2)N=N1 CC(C)[*:1] C[C@H](NC(=O)[C@@H]1C=C(C[*:1])N=N1)C1CN2N=CS[C@@H]2N=1
CC(C)CC1=C[C@@H](C(=O)N[C@@H](C)C2=N[C@H]3SC=NN3C2)N=N1 CC(C)C[*:1] C[C@H](NC(=O)[C@@H]1C=C(N=N1)[*:1])C1CN2N=CS[C@@H]2N=1
C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccccc3)cc2C1=O c1ccc(cc1)[*:1] C[C@H](c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NNC(=O)[*:1]
C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccccc3)cc2C1=O c1ccc(cc1)[*:1] C[C@H](N1C(=O)c2ccc(cc2C1=O)C(=O)NNC(=O)c1ccccc1)[*:1]
O=C1Nc2ccccc2/C1=C/c1cccc(C(=O)[O-])c1 O=C([O-])[*:1] O=C1Nc2ccccc2/C1=C/c1cccc(c1)[*:1]
O=C(NCC(O)(c1cccs1)c1cccs1)c1ccc(F)cc1 c1csc(c1)[*:1] O=C(NCC(O)(c1cccs1)[*:1])c1ccc(F)cc1
O=C(NCC(O)(c1cccs1)c1cccs1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCC(O)(c1cccs1)c1cccs1)[*:1]
O=C1OCCN1c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] O=C1OCCN1c1cccc(c1)NS(=O)(=O)c1cccc(c1)[*:1]
O=C1OCCN1c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 O=C1OCCN1[*:1] O=S(=O)(Nc1cccc(c1)[*:1])c1cccc(c1)C(F)(F)F
Cc1nc(NC(C)C)sc1C(=O)n1ccnc1 CC(C)[*:1] Cc1nc(N[*:1])sc1C(=O)n1ccnc1
Cc1nc(NC(C)C)sc1C(=O)n1ccnc1 CC(C)N[*:1] Cc1nc(sc1C(=O)n1ccnc1)[*:1]
NC(=O)COC(=O)c1cc2ccccc2c2cccnc12 NC(=O)COC(=O)[*:1] c1ccc2c(c1)cc(c1ncccc12)[*:1]
NC(=O)COC(=O)c1cc2ccccc2c2cccnc12 NC(=O)[*:1] O=C(OC[*:1])c1cc2ccccc2c2cccnc12
NC(=O)COC(=O)c1cc2ccccc2c2cccnc12 NC(=O)C[*:1] O=C(O[*:1])c1cc2ccccc2c2cccnc12
CC(C)C[C@@H](Cn1nnnc1-c1ccc(F)cc1)C(=O)[O-] Fc1ccc(cc1)[*:1] CC(C)C[C@@H](Cn1nnnc1[*:1])C(=O)[O-]
CC(C)C[C@@H](Cn1nnnc1-c1ccc(F)cc1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](Cn1nnnc1-c1ccc(F)cc1)[*:1]
CC(C)C[C@@H](Cn1nnnc1-c1ccc(F)cc1)C(=O)[O-] CC(C)C[*:1] O=C([O-])[C@H](Cn1nnnc1-c1ccc(F)cc1)[*:1]
CC(C)C[C@@H](Cn1nnnc1-c1ccc(F)cc1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H](Cn1nnnc1-c1ccc(F)cc1)C[*:1]
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nnc(NC(=O)c2ccccc2)s1 O=C(N[*:1])c1ccccc1 N#C/C(=C/c1ccc(o1)-c1cc(ccc1Cl)[N+](=O)[O-])c1nnc(s1)[*:1]
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nnc(NC(=O)c2ccccc2)s1 O=[N+]([O-])c1ccc(Cl)c(c1)[*:1] N#C/C(=C/c1ccc(o1)[*:1])c1nnc(NC(=O)c2ccccc2)s1
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nnc(NC(=O)c2ccccc2)s1 O=[N+]([O-])[*:1] N#C/C(=C/c1ccc(o1)-c1cc(ccc1Cl)[*:1])c1nnc(NC(=O)c2ccccc2)s1
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nnc(NC(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] N#C/C(=C/c1ccc(o1)-c1cc(ccc1Cl)[N+](=O)[O-])c1nnc(NC(=O)[*:1])s1
Cn1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 Cn1ccc(c1)[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)S(=O)(=O)[*:1]
Cn1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 C1CO[C@@H](C1)[*:1] Cn1ccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CCC(C)(C)NC(=O)C[S@](=O)c1cc(Br)ccc1OC CCC(C)(C)[*:1] COc1ccc(Br)cc1[S@@](=O)CC(=O)N[*:1]
Cc1cc(C)n2c(CN3CC[C@H]3c3ccc(Cl)cc3)cnc2n1 Clc1ccc(cc1)[*:1] Cc1cc(C)n2c(cnc2n1)CN1CC[C@@H]1[*:1]
CCCC[C@@H](CC1CCC1)[NH2+]C CCCC[*:1] C[NH2+][C@H](CC1CCC1)[*:1]
CCCC[C@@H](CC1CCC1)[NH2+]C CCC[*:1] C[NH2+][C@H](CC1CCC1)C[*:1]
CCCC[C@@H](CC1CCC1)[NH2+]C C1CC(C1)[*:1] CCCC[C@@H](C[*:1])[NH2+]C
CC(C)CO[C@@H]1C[C@H]([NH2+]CC2(C)COC2)C1(C)C CC1(COC1)C[*:1] CC(C)CO[C@@H]1C[C@H]([NH2+][*:1])C1(C)C
CC(C)CO[C@@H]1C[C@H]([NH2+]CC2(C)COC2)C1(C)C CC(C)CO[*:1] CC1(C[NH2+][C@H]2C[C@H](C2(C)C)[*:1])COC1
CC(C)CO[C@@H]1C[C@H]([NH2+]CC2(C)COC2)C1(C)C CC(C)[*:1] CC1(C[NH2+][C@H]2C[C@@H](OC[*:1])C2(C)C)COC1
CC(C)CO[C@@H]1C[C@H]([NH2+]CC2(C)COC2)C1(C)C CC1(COC1)[*:1] CC(C)CO[C@@H]1C[C@H]([NH2+]C[*:1])C1(C)C
CC(C)CO[C@@H]1C[C@H]([NH2+]CC2(C)COC2)C1(C)C CC(C)C[*:1] CC1(C[NH2+][C@H]2C[C@@H](O[*:1])C2(C)C)COC1
O=C(NCc1ccc(OC(F)F)cc1)c1cnc2sccn2c1=O FC(F)[*:1] O=C(NCc1ccc(cc1)O[*:1])c1cnc2sccn2c1=O
O=C(NCc1ccc(OC(F)F)cc1)c1cnc2sccn2c1=O FC(F)O[*:1] O=C(NCc1ccc(cc1)[*:1])c1cnc2sccn2c1=O
COc1ccc(S(=O)(=O)N(C)C(=O)C[C@H](C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)C(=O)C[C@H](C)[*:1]
COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1OC Cc1ccc(cc1)[*:1] COc1cccc(c1OC)[C@H]1NC(=O)NC(C)=C1C(=O)N[*:1]
CCc1nn(C)c2c1nc(N)n2[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)c2c1nc(N)n2[C@H](C)[*:1]
COc1cccc(-c2c3c(=O)n(C[C@@H]4CCCO4)ccc3nc3ncnn23)c1 COc1cccc(c1)[*:1] O=c1c2c(n3ncnc3nc2ccn1C[C@@H]1CCCO1)[*:1]
Cn1c(Cl)cnc1C[S@](=O)Cc1ccc(C(F)(F)F)cc1 Cn1c(Cl)cnc1[*:1] O=[S@](Cc1ccc(cc1)C(F)(F)F)C[*:1]
Cn1c(Cl)cnc1C[S@](=O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cn1c(Cl)cnc1C[S@](=O)Cc1ccc(cc1)[*:1]
Cc1noc([C@@H](C)NC(=O)Nc2ccc(C(=O)NC(C)C)cc2C)n1 Cc1noc(n1)[*:1] Cc1cc(ccc1NC(=O)N[C@H](C)[*:1])C(=O)NC(C)C
Cc1noc([C@@H](C)NC(=O)Nc2ccc(C(=O)NC(C)C)cc2C)n1 CC(C)[*:1] Cc1noc(n1)[C@@H](C)NC(=O)Nc1ccc(cc1C)C(=O)N[*:1]
Cc1noc([C@@H](C)NC(=O)Nc2ccc(C(=O)NC(C)C)cc2C)n1 CC(C)NC(=O)[*:1] Cc1noc(n1)[C@@H](C)NC(=O)Nc1ccc(cc1C)[*:1]
COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)N(C(C)=O)CC2 Clc1ccc(cc1)[*:1] COc1cc2CCN(C(C)=O)[C@H](c2cc1OC)[*:1]
C[NH2+][C@]1(C(N)=O)CC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[NH2+][C@@]1(CC[C@H](C1)Oc1cc(F)ccc1[*:1])C(N)=O
C[NH2+][C@]1(C(N)=O)CC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C1 NC(=O)[*:1] C[NH2+][C@@]1(CC[C@H](C1)Oc1cc(F)ccc1[N+](=O)[O-])[*:1]
c1cc(-c2ccsc2)n2nc(SCc3ccc4c(c3)OCCCO4)nc2n1 c1cc(cs1)[*:1] c1cc(n2nc(nc2n1)SCc1ccc2OCCCOc2c1)[*:1]
CN1CCc2c(C#N)c(SCc3ccccc3)nc(N3CCOCC3)c2C1 c1ccc(cc1)CS[*:1] CN1CCc2c(C#N)c(nc(c2C1)N1CCOCC1)[*:1]
CN1CCc2c(C#N)c(SCc3ccccc3)nc(N3CCOCC3)c2C1 C1CN(CCO1)[*:1] CN1CCc2c(C#N)c(nc(c2C1)[*:1])SCc1ccccc1
CN1CCc2c(C#N)c(SCc3ccccc3)nc(N3CCOCC3)c2C1 c1ccc(cc1)C[*:1] CN1CCc2c(C#N)c(nc(c2C1)N1CCOCC1)S[*:1]
CN1CCc2c(C#N)c(SCc3ccccc3)nc(N3CCOCC3)c2C1 c1ccc(cc1)[*:1] CN1CCc2c(C#N)c(nc(c2C1)N1CCOCC1)SC[*:1]
O=C(NCCn1c(=O)oc2ccccc21)N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCCn1c(=O)oc2ccccc21)N1CC[C@@](O)(C1)[*:1]
O=C(N[C@@H](C(=O)N1CCCC1)c1ccccc1)c1c[nH]c2nc(-c3ccccc3)ccc12 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)N1CCCC1)[*:1])c1c[nH]c2nc(ccc12)-c1ccccc1
O=C(N[C@@H](C(=O)N1CCCC1)c1ccccc1)c1c[nH]c2nc(-c3ccccc3)ccc12 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)N1CCCC1)c1ccccc1)c1c[nH]c2nc(ccc12)[*:1]
O=C(N[C@@H](C(=O)N1CCCC1)c1ccccc1)c1c[nH]c2nc(-c3ccccc3)ccc12 O=C(N1CCCC1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1c[nH]c2nc(ccc12)-c1ccccc1
O=C(NCc1cc(-c2ccccc2)on1)c1ccc2[nH]cnc2c1 c1ccc(cc1)[*:1] O=C(NCc1cc(on1)[*:1])c1ccc2[nH]cnc2c1
Cc1cccc(N2CCN(C(=O)NCCCN3CCc4ccccc43)CC2)c1 c1ccc2c(c1)CCN2[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)NCCC[*:1]
Cc1cccc(N2CCN(C(=O)NCCCN3CCc4ccccc43)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCCCN1CCc2ccccc21)N1CCN(CC1)[*:1]
CCn1c(=O)c2c(nc3n2CC(C)=NN3CCCO)n(C)c1=O OCC[*:1] CCn1c(=O)c2c(nc3N(C[*:1])N=C(C)Cn32)n(C)c1=O
CCn1c(=O)c2c(nc3n2CC(C)=NN3CCCO)n(C)c1=O OCCC[*:1] CCn1c(=O)c2c(nc3N(N=C(C)Cn32)[*:1])n(C)c1=O
N#Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1ccccc1NC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CCc1cccc(NC(=O)CNC(=O)Nc2ccc(C)s2)c1 Cc1ccc(s1)[*:1] CCc1cccc(c1)NC(=O)CNC(=O)N[*:1]
O=C(c1cc2cc(F)ccc2[nH]1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1 Fc1ccc2[nH]c(cc2c1)[*:1] O=C([C@@H]1CC12CCN(CC2)C(=O)[*:1])N1CCN(CC1)Cc1cccc(F)c1
O=C(c1cc2cc(F)ccc2[nH]1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] O=C(c1cc2cc(F)ccc2[nH]1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(CC1)[*:1]
O=C(c1cc2cc(F)ccc2[nH]1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(c1cc2cc(F)ccc2[nH]1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(CC1)C[*:1]
C[C@H]1CCc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2C1 c1ncn(n1)[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
C[C@H]1CCc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2C1 FC(F)(F)[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)Nc1cc(ccc1-n1cncn1)[*:1]
C[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)[*:1]
C[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccccc1Cl c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCNC(=O)N[*:1])c1ccccc1Cl
CCCCNC(=O)C(=O)Nc1c(C)cccc1C(=O)N1CCCC1 CCC[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NC[*:1]
CCCCNC(=O)C(=O)Nc1c(C)cccc1C(=O)N1CCCC1 CCCC[*:1] Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[*:1]
CCCCNC(=O)C(=O)Nc1c(C)cccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CCCCNC(=O)C(=O)Nc1c(C)cccc1[*:1]
Cc1ccc(NC(=O)CCNC(=O)NC[C@@H](O)c2ccccc2F)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(CCNC(=O)NC[C@@H](O)c1ccccc1F)N[*:1]
Cc1ccc(NC(=O)CCNC(=O)NC[C@@H](O)c2ccccc2F)c(Cl)c1 Fc1ccccc1[*:1] Cc1ccc(NC(=O)CCNC(=O)NC[C@@H](O)[*:1])c(Cl)c1
Cc1ccc(SCC(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)SCC(=O)Nc1nnc(s1)[*:1]
Cc1ccc(SCC(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 Cc1ccc(cc1)[*:1] O=C(CS[*:1])Nc1nnc(s1)-c1ccccc1Cl
Cc1ccc(SCC(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 Cc1ccc(cc1)S[*:1] O=C(C[*:1])Nc1nnc(s1)-c1ccccc1Cl
CN(C[C@@H]1[C@H](O)C(C)(C)OC1(C)C)c1ccccc1 c1ccc(cc1)[*:1] CN(C[C@@H]1[C@H](O)C(C)(C)OC1(C)C)[*:1]
CC[C@@H](C)n1ccc(C[C@@H]([NH2+]C)[C@]2(C)CCCO2)n1 CC[C@@H](C)[*:1] C[NH2+][C@H](Cc1ccn(n1)[*:1])[C@]1(C)CCCO1
CC[C@@H](C)n1ccc(C[C@@H]([NH2+]C)[C@]2(C)CCCO2)n1 C[C@@]1(CCCO1)[*:1] CC[C@@H](C)n1ccc(C[C@@H]([NH2+]C)[*:1])n1
C[C@H](CCCl)S(=O)(=O)c1ccc([N+](=O)[O-])c2nonc12 O=[N+]([O-])[*:1] C[C@H](CCCl)S(=O)(=O)c1ccc(c2nonc12)[*:1]
C[C@H](CCCl)S(=O)(=O)c1ccc([N+](=O)[O-])c2nonc12 ClCC[*:1] C[C@H](S(=O)(=O)c1ccc(c2nonc12)[N+](=O)[O-])[*:1]
CCCN(C(=O)c1ccccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 Clc1ccc(c(Cl)c1)[*:1] CCCN(C(=O)c1ccccn1)c1nc(cs1)[*:1]
CCCN(C(=O)c1ccccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 c1ccc(nc1)[*:1] CCCN(C(=O)[*:1])c1nc(cs1)-c1ccc(Cl)cc1Cl
CCCN(C(=O)c1ccccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 CCC[*:1] O=C(c1ccccn1)N(c1nc(cs1)-c1ccc(Cl)cc1Cl)[*:1]
CC[NH+](CC)CCN1C2=[NH+][C@H](c3ccc(Cl)cc3)CN2c2ccccc21 Clc1ccc(cc1)[*:1] CC[NH+](CC)CCN1C2=[NH+][C@H](CN2c2ccccc21)[*:1]
CCCCN(CCOC)C(=O)Nc1ccc(C)s1 COCC[*:1] CCCCN(C(=O)Nc1ccc(C)s1)[*:1]
CCCCN(CCOC)C(=O)Nc1ccc(C)s1 CCC[*:1] COCCN(C[*:1])C(=O)Nc1ccc(C)s1
CCCCN(CCOC)C(=O)Nc1ccc(C)s1 Cc1ccc(s1)[*:1] CCCCN(CCOC)C(=O)N[*:1]
CCCCN(CCOC)C(=O)Nc1ccc(C)s1 CCCC[*:1] COCCN(C(=O)Nc1ccc(C)s1)[*:1]
CCCCN(CCOC)C(=O)Nc1ccc(C)s1 COC[*:1] CCCCN(C[*:1])C(=O)Nc1ccc(C)s1
O=C(COC(=O)Cc1ccsc1)NC(=O)NCc1ccco1 c1cc(cs1)C[*:1] O=C(COC(=O)[*:1])NC(=O)NCc1ccco1
O=C(COC(=O)Cc1ccsc1)NC(=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(COC(=O)Cc1ccsc1)NC(=O)N[*:1]
O=C(COC(=O)Cc1ccsc1)NC(=O)NCc1ccco1 c1cc(cs1)[*:1] O=C(COC(=O)C[*:1])NC(=O)NCc1ccco1
O=C(COC(=O)Cc1ccsc1)NC(=O)NCc1ccco1 c1coc(c1)[*:1] O=C(COC(=O)Cc1ccsc1)NC(=O)NC[*:1]
C[C@H](CC(=O)NNc1ccc(Br)cc1Cl)n1cccc1 c1ccn(c1)[*:1] C[C@H](CC(=O)NNc1ccc(Br)cc1Cl)[*:1]
CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C(=O)Nc1ccccc1C(C)(C)C CC(C)(C)[*:1] CCc1nc2[C@@H](CCCn2n1)[NH2+][C@@H](C)C(=O)Nc1ccccc1[*:1]
C[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1N(C)C C1CC1[*:1] C[C@@H](NC[C@@H]1CN(CCO1)[*:1])c1ccc(F)cc1N(C)C
C[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1N(C)C CN(C)[*:1] C[C@@H](NC[C@@H]1CN(CCO1)C1CC1)c1ccc(F)cc1[*:1]
CC(C)(C)n1cc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)[*:1])N1CCO[C@H](C1)c1cccc(F)c1
CC(C)(C)n1cc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cn1 Fc1cccc(c1)[*:1] CC(C)(C)n1cc(cn1)NC(=O)N1CCO[C@@H](C1)[*:1]
CCCCn1c(N)c(N(CC)C(=O)c2ccncc2)c(=O)[nH]c1=O CCC[*:1] CCN(C(=O)c1ccncc1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCCCn1c(N)c(N(CC)C(=O)c2ccncc2)c(=O)[nH]c1=O c1cc(ccn1)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(CC)C(=O)[*:1]
CCCCn1c(N)c(N(CC)C(=O)c2ccncc2)c(=O)[nH]c1=O CCCC[*:1] CCN(C(=O)c1ccncc1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
Cc1cc(C[NH+]2CCC(N3CCN(C)C3=O)CC2)no1 Cc1cc(no1)[*:1] CN1CCN(C1=O)C1CC[NH+](CC1)C[*:1]
O=c1[nH]n2c(C(F)(F)F)nnc2sc1=O FC(F)(F)[*:1] O=c1[nH]n2c(nnc2sc1=O)[*:1]
COc1ccc2oc(C)c(C(=O)Nc3ccc(-n4nccc4C(F)(F)F)cc3)c2c1 FC(F)(F)[*:1] COc1ccc2oc(C)c(C(=O)Nc3ccc(cc3)-n3nccc3[*:1])c2c1
COc1ccc2oc(C)c(C(=O)Nc3ccc(-n4nccc4C(F)(F)F)cc3)c2c1 FC(F)(F)c1ccnn1[*:1] COc1ccc2oc(C)c(C(=O)Nc3ccc(cc3)[*:1])c2c1
CCOc1cncc(N2C[C@@H](C)C[C@H]([NH3+])C2)n1 CCO[*:1] C[C@H]1C[C@H]([NH3+])CN(C1)c1cncc(n1)[*:1]
C[C@H]([NH2+]CCSCC(C)(C)O)c1nc2ccc(Cl)cc2n1C CC(C)(O)C[*:1] C[C@H]([NH2+]CCS[*:1])c1nc2ccc(Cl)cc2n1C
C[C@H]([NH2+]CCSCC(C)(C)O)c1nc2ccc(Cl)cc2n1C CC(C)(O)CS[*:1] C[C@H]([NH2+]CC[*:1])c1nc2ccc(Cl)cc2n1C
C[C@H]([NH2+]CCSCC(C)(C)O)c1nc2ccc(Cl)cc2n1C CC(C)(O)[*:1] C[C@H]([NH2+]CCSC[*:1])c1nc2ccc(Cl)cc2n1C
C[C@H]([NH2+]CCSCC(C)(C)O)c1nc2ccc(Cl)cc2n1C CC(C)(O)CSC[*:1] C[C@H]([NH2+]C[*:1])c1nc2ccc(Cl)cc2n1C
CC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
CC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2)N1[*:1]
CC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2)cc1 CC(=O)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2)N1c1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CC[C@H](C)NC(=O)c1cc(ccc1F)[*:1]
CC[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1F CC[C@H](C)[*:1] O=C(N[*:1])c1cc(ccc1F)C(F)(F)F
CCc1ncsc1C(=O)O[C@@H](C)c1ccccc1N(C)C CCc1ncsc1[*:1] C[C@H](OC(=O)[*:1])c1ccccc1N(C)C
CCc1ncsc1C(=O)O[C@@H](C)c1ccccc1N(C)C CN(C)[*:1] CCc1ncsc1C(=O)O[C@@H](C)c1ccccc1[*:1]
C=CCn1cnn(C[NH+](C)Cc2cccc([N+](=O)[O-])c2)c1=S O=[N+]([O-])[*:1] C=CCn1cnn(C[NH+](C)Cc2cccc(c2)[*:1])c1=S
C=CCn1cnn(C[NH+](C)Cc2cccc([N+](=O)[O-])c2)c1=S C=CC[*:1] C[NH+](Cc1cccc(c1)[N+](=O)[O-])Cn1ncn(c1=S)[*:1]
CCc1cc(CNC(=O)C(=O)Nc2ccc(C)nc2Cl)on1 CCc1cc(on1)[*:1] Cc1ccc(NC(=O)C(=O)NC[*:1])c(Cl)n1
Cc1ccccc1-c1noc(-c2cccn(CC(=O)Nc3ccc(Br)cc3)c2=O)n1 Brc1ccc(cc1)[*:1] Cc1ccccc1-c1noc(n1)-c1cccn(CC(=O)N[*:1])c1=O
Cc1ccccc1-c1noc(-c2cccn(CC(=O)Nc3ccc(Br)cc3)c2=O)n1 O=C(Nc1ccc(Br)cc1)[*:1] Cc1ccccc1-c1noc(n1)-c1cccn(C[*:1])c1=O
Cc1ccccc1-c1noc(-c2cccn(CC(=O)Nc3ccc(Br)cc3)c2=O)n1 Cc1ccccc1[*:1] O=C(Cn1cccc(-c2nc(no2)[*:1])c1=O)Nc1ccc(Br)cc1
Cc1cc(C(=O)C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)C[NH+]2CCN(CC2)c2ncnc3c2cnn3C)c(C)n1[*:1]
O=S(=O)(Cc1ccc(Cl)nc1)/N=C(\[O-])Cc1ccc(F)c(F)c1 Clc1ccc(cn1)[*:1] O=S(=O)(C[*:1])/N=C(\[O-])Cc1ccc(F)c(F)c1
C/[NH+]=C(/NCc1csc(N(C)C)n1)NCc1sc(C)nc1C Cc1nc(C)c(s1)[*:1] C/[NH+]=C(/NCc1csc(n1)N(C)C)NC[*:1]
C/[NH+]=C(/NCc1csc(N(C)C)n1)NCc1sc(C)nc1C CN(C)[*:1] C/[NH+]=C(/NCc1csc(n1)[*:1])NCc1sc(C)nc1C
CC(C)(C[S@@](=O)c1ccc(F)c(F)c1)C(=O)[O-] O=C([O-])[*:1] CC(C)(C[S@@](=O)c1ccc(F)c(F)c1)[*:1]
N#Cc1ccc(OCCNC(=O)NC[C@@H](O)c2ccco2)cc1 c1coc(c1)[*:1] N#Cc1ccc(cc1)OCCNC(=O)NC[C@@H](O)[*:1]
C[C@@H](NC(=O)CCCO)c1cccc(Cl)c1 OCC[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(Cl)c1
C[C@@H](NC(=O)CCCO)c1cccc(Cl)c1 OCCC[*:1] C[C@@H](NC(=O)[*:1])c1cccc(Cl)c1
O=C(/C=C/c1ccc(-n2ccnc2)cc1)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] O=C(/C=C/c1ccc(cc1)-n1ccnc1)N[*:1]
O=C(/C=C/c1ccc(-n2ccnc2)cc1)NC1CCC(O)CC1 c1cn(cn1)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NC1CCC(O)CC1
NC(=O)c1ccc(NC(=O)c2c[nH]c(=O)cc2[O-])cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1c[nH]c(=O)cc1[O-]
O=C(Nc1nnc(COc2ccc(Br)cc2)s1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1nnc(COc2ccc(Br)cc2)s1)[*:1]
O=C(Nc1nnc(COc2ccc(Br)cc2)s1)c1ccco1 Brc1ccc(cc1)[*:1] O=C(Nc1nnc(CO[*:1])s1)c1ccco1
COc1ccc2c(ccc[n+]2[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)c1 Fc1ccc(Cl)cc1[*:1] COc1ccc2c(ccc[n+]2[C@@H](C)C(=O)N[*:1])c1
O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)N2CCn3c2nc2ccccc23)cs1 C(=C[*:1])c1ccccc1 O=C(Cc1csc(n1)NC(=O)[*:1])N1CCn2c1nc1ccccc12
O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)N2CCn3c2nc2ccccc23)cs1 c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1nc(cs1)CC(=O)N1CCn2c1nc1ccccc12
CCOc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3F)C2)cc1 Fc1ccccc1[*:1] CCOc1ccc(cc1)CNC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CCOc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3F)C2)cc1 CCO[*:1] O=C(NCc1ccc(cc1)[*:1])[C@H]1CCCN(C1)C(=O)c1ccccc1F
CCOc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3F)C2)cc1 CCOc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1ccccc1F
C=CCCC(=O)Nc1nc(SC)ns1 C=CC[*:1] CSc1nsc(n1)NC(=O)C[*:1]
C=CCCC(=O)Nc1nc(SC)ns1 C=CCC[*:1] CSc1nsc(n1)NC(=O)[*:1]
CCC(=O)N1CC[C@@](Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)C1 c1cncc(c1)[*:1] CCC(=O)N1CC[C@](Cc2ccc(cc2)[*:1])(C1)C(=O)NC(C)C
CCC(=O)N1CC[C@@](Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)C1 CC(C)NC(=O)[*:1] CCC(=O)N1CC[C@@](Cc2ccc(cc2)-c2cccnc2)(C1)[*:1]
CCC(=O)N1CC[C@@](Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)C1 CC(C)[*:1] CCC(=O)N1CC[C@](Cc2ccc(cc2)-c2cccnc2)(C1)C(=O)N[*:1]
Cc1ncc([C@H](C)N[C@H](C)C(=O)OC(C)(C)C)s1 CC(C)(C)[*:1] Cc1ncc(s1)[C@H](C)N[C@H](C)C(=O)O[*:1]
Cc1ncc([C@H](C)N[C@H](C)C(=O)OC(C)(C)C)s1 Cc1ncc(s1)[*:1] C[C@H](N[C@H](C)C(=O)OC(C)(C)C)[*:1]
CNC(=O)C[C@H](C[NH3+])N(C)Cc1ccsc1 c1cc(cs1)[*:1] CNC(=O)C[C@H](C[NH3+])N(C)C[*:1]
CNC(=O)C[C@H](C[NH3+])N(C)Cc1ccsc1 CNC(=O)[*:1] CN(Cc1ccsc1)[C@@H](C[NH3+])C[*:1]
CNC(=O)C[C@H](C[NH3+])N(C)Cc1ccsc1 CNC(=O)C[*:1] CN(Cc1ccsc1)[C@@H](C[NH3+])[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)NCc1[nH+]ccn1C[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)NCc1[nH+]ccn1[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)NCc1[nH+]ccn1CC[*:1]
C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N[C@@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] C[C@@H](Sc1ncc(n1C)[*:1])C(=O)N[C@@H]1CCCc2ccccc21
CC[C@@H](Nc1cccc(N(C)C(C)=O)c1)c1ccc(F)cc1 CC(=O)N(C)[*:1] CC[C@@H](Nc1cccc(c1)[*:1])c1ccc(F)cc1
CC[C@@H](Nc1cccc(N(C)C(C)=O)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@@H](Nc1cccc(c1)N(C)C(C)=O)[*:1]
COCc1cc(CNC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)ccc1F c1ccc(cc1)[*:1] COCc1cc(ccc1F)CNC(=O)[C@H](C)n1nnc(n1)[*:1]
COCc1cc(CNC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)ccc1F COC[*:1] C[C@@H](C(=O)NCc1ccc(F)c(c1)[*:1])n1nnc(n1)-c1ccccc1
C[C@]1(c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)NN=C(c2ccccc2)S1 c1ccc(cc1)[*:1] C[C@@]1(NN=C(S1)[*:1])c1cccc(c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O
CCC[NH2+][C@@]1(C(=O)OCC)CCC[C@H](n2cc[nH+]c2C)C1 CCOC(=O)[*:1] CCC[NH2+][C@]1(CCC[C@@H](C1)n1cc[nH+]c1C)[*:1]
CCC[NH2+][C@@]1(C(=O)OCC)CCC[C@H](n2cc[nH+]c2C)C1 CCC[*:1] CCOC(=O)[C@@]1(CCC[C@@H](C1)n1cc[nH+]c1C)[NH2+][*:1]
CCc1nnsc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 CCc1nnsc1[*:1] O=C(Nc1cc(Cl)ccc1N1CCOCC1)[*:1]
CCc1nnsc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 C1CN(CCO1)[*:1] CCc1nnsc1C(=O)Nc1cc(Cl)ccc1[*:1]
COc1ccc([C@@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)cc1Cn1nc(C)cc1C Cc1cc(C)n(n1)[*:1] COc1ccc(cc1C[*:1])[C@@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
COc1ccc([C@@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)cc1Cn1nc(C)cc1C Cc1cc(C)n(C[*:1])n1 COc1ccc(cc1[*:1])[C@@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
O=C(NCc1ccccc1OC1CCC1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 C1CC(C1)[*:1] O=C(NCc1ccccc1O[*:1])[C@@]12CC[C@@H](C[C@@H]1Br)C2
O=C(NCc1ccccc1OC1CCC1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 C1CC(C1)O[*:1] O=C(NCc1ccccc1[*:1])[C@@]12CC[C@@H](C[C@@H]1Br)C2
O=C1C[C@@H](c2cc(Br)cs2)[C@@H]2C(=O)[NH+]=c3ccccc3=C2O1 Brc1csc(c1)[*:1] O=C1C[C@@H]([C@@H]2C(=O)[NH+]=c3ccccc3=C2O1)[*:1]
COc1ccc(C[C@H](C)CN(C)C(=O)NC[C@H]2CCCS2(=O)=O)cc1 COc1ccc(cc1)[*:1] C[C@H](CN(C)C(=O)NC[C@H]1CCCS1(=O)=O)C[*:1]
O=C(N[C@@H]1CCCOC1)c1ccc(OCc2ccccn2)cc1 c1ccc(nc1)[*:1] O=C(N[C@@H]1CCCOC1)c1ccc(cc1)OC[*:1]
O=C(N[C@@H]1CCCOC1)c1ccc(OCc2ccccn2)cc1 c1ccc(C[*:1])nc1 O=C(N[C@@H]1CCCOC1)c1ccc(cc1)O[*:1]
O=C([C@@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)c2ccccc2O1)N1CCOCC1 O=c1cnn(c2ccccc12)[*:1] O=C([C@@H]1CN(C(=O)CC[*:1])c2ccccc2O1)N1CCOCC1
O=C([C@@H]1CN(C(=O)CCn2ncc(=O)c3ccccc32)c2ccccc2O1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(CCn1ncc(=O)c2ccccc21)N1C[C@H](Oc2ccccc21)[*:1]
C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[*:1]
C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[*:1]
Cc1ccccc1-c1cccc(CN2CCS(=O)(=O)CC2)c1 Cc1ccccc1[*:1] O=S1(=O)CCN(CC1)Cc1cccc(c1)[*:1]
CNC(=O)c1cccc(NC(=O)C(=O)N2C[C@H]3CC=CC[C@H]3C2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)N1C[C@H]2CC=CC[C@H]2C1
Cc1c([C@@H]2[C@H]([NH3+])CCCCN2C(C)C)cnn1C CC(C)[*:1] Cc1c(cnn1C)[C@@H]1[C@H]([NH3+])CCCCN1[*:1]
Cc1nc([C@@H]2CCCN(C(=O)c3c(C)[nH]c4c3C(=O)CCC4)C2)cc(=O)[nH]1 Cc1nc(cc(=O)[nH]1)[*:1] Cc1[nH]c2CCCC(=O)c2c1C(=O)N1CCC[C@H](C1)[*:1]
C[C@H]([NH2+]Cc1ccc(-c2ccccc2F)s1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@H]([NH2+]Cc1ccc(s1)-c1ccccc1F)c1ccc(cc1)[*:1]
C[C@H]([NH2+]Cc1ccc(-c2ccccc2F)s1)c1ccc(N2CCCC2=O)cc1 Fc1ccccc1[*:1] C[C@H]([NH2+]Cc1ccc(s1)[*:1])c1ccc(cc1)N1CCCC1=O
CC(C)CN(CC(C)C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O CC(C)C[*:1] CC(C)CN(C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)[*:1]
CC(C)CN(CC(C)C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O CC(C)[*:1] CC(C)CN(C[*:1])C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
C[C@@H](Cc1cccs1)NC(=O)Nc1ccccc1Cl c1csc(c1)C[*:1] C[C@@H](NC(=O)Nc1ccccc1Cl)[*:1]
C[C@@H](Cc1cccs1)NC(=O)Nc1ccccc1Cl c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccccc1Cl
CCOc1cccc([C@H](O)[C@@](C)(CC)N2CCOCC2)c1 CCO[*:1] CC[C@](C)([C@@H](O)c1cccc(c1)[*:1])N1CCOCC1
CCOc1cccc([C@H](O)[C@@](C)(CC)N2CCOCC2)c1 C1CN(CCO1)[*:1] CCOc1cccc(c1)[C@H](O)[C@@](C)(CC)[*:1]
CCc1nsc(N(CC)CC(=O)Nc2ccccc2OC)n1 CCc1nsc(n1)[*:1] CCN(CC(=O)Nc1ccccc1OC)[*:1]
CC(C)[C@@H](CO)NC(=O)CC(C)(C)CC(=O)[O-] CC(C)[*:1] CC(C)(CC(=O)[O-])CC(=O)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)CC(C)(C)CC(=O)[O-] O=C([O-])C[*:1] CC(C)[C@@H](CO)NC(=O)CC(C)(C)[*:1]
CC(C)[C@@H](CO)NC(=O)CC(C)(C)CC(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](CO)NC(=O)CC(C)(C)C[*:1]
CCN(C1CCN(Cc2cc(=O)n3c(C)csc3[nH+]2)CC1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] Cc1csc2[nH+]c(cc(=O)n12)CN1CCC(CC1)[*:1]
C#CCN1CCC(C(=O)N[C@H]2CCc3cc(F)ccc32)CC1 C#CC[*:1] O=C(N[C@H]1CCc2cc(F)ccc21)C1CCN(CC1)[*:1]
COc1ccc(CCNC(=O)Nc2cc(N3CCCC3)ncn2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])Nc1cc(ncn1)N1CCCC1
COc1ccc(CCNC(=O)Nc2cc(N3CCCC3)ncn2)cc1 C1CCN(C1)[*:1] COc1ccc(cc1)CCNC(=O)Nc1cc(ncn1)[*:1]
C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)O C[C@@H](O)[*:1] C[NH2+]C[C@H](C)C(=O)NC[*:1]
C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)O C[C@@H](O)C[*:1] C[NH2+]C[C@H](C)C(=O)N[*:1]
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 Cc1ccc(cc1[*:1])C(=O)[O-] O=C1S/C(=C/c2ccc(o2)[*:1])C(=O)N1Cc1ccccc1
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 O=C([O-])[*:1] Cc1ccc(cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1)[*:1]
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 c1ccc(cc1)C[*:1] Cc1ccc(cc1-c1ccc(/C=C2/SC(=O)N(C2=O)[*:1])o1)C(=O)[O-]
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 c1ccc(cc1)[*:1] Cc1ccc(cc1-c1ccc(/C=C2/SC(=O)N(C[*:1])C2=O)o1)C(=O)[O-]
CCOC(=O)CCN(C(=O)Nc1ccc(Cl)cc1)C1CC1 CCOC(=O)CC[*:1] O=C(Nc1ccc(Cl)cc1)N(C1CC1)[*:1]
CCOC(=O)CCN(C(=O)Nc1ccc(Cl)cc1)C1CC1 C1CC1[*:1] CCOC(=O)CCN(C(=O)Nc1ccc(Cl)cc1)[*:1]
CCOC(=O)CCN(C(=O)Nc1ccc(Cl)cc1)C1CC1 CCOC(=O)C[*:1] O=C(Nc1ccc(Cl)cc1)N(C[*:1])C1CC1
CCOC(=O)CCN(C(=O)Nc1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] CCOC(=O)CCN(C(=O)N[*:1])C1CC1
CCOC(=O)CCN(C(=O)Nc1ccc(Cl)cc1)C1CC1 CCOC(=O)[*:1] O=C(Nc1ccc(Cl)cc1)N(CC[*:1])C1CC1
COc1ccccc1CN(C1CC1)S(=O)(=O)N(C)C C1CC1[*:1] COc1ccccc1CN(S(=O)(=O)N(C)C)[*:1]
CN(CCCOc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 c1ccc(cc1)OC[*:1] CN(CC[*:1])C(=O)C(=O)Nc1ccc(F)c(C#N)c1
CN(CCCOc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 c1ccc(cc1)O[*:1] CN(CCC[*:1])C(=O)C(=O)Nc1ccc(F)c(C#N)c1
CN(CCCOc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 c1ccc(cc1)[*:1] CN(CCCO[*:1])C(=O)C(=O)Nc1ccc(F)c(C#N)c1
Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)CC2=O)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)CC2=O)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NC[C@@H](c1ccccc1Cl)[*:1]
COCCNS(=O)(=O)CCc1ccccn1 COCC[*:1] O=S(=O)(CCc1ccccn1)N[*:1]
COCCNS(=O)(=O)CCc1ccccn1 COC[*:1] O=S(=O)(CCc1ccccn1)NC[*:1]
CC(C)N(CCCCl)c1nc2cc([N+](=O)[O-])ccc2[nH]1 CC(C)[*:1] O=[N+]([O-])c1ccc2[nH]c(nc2c1)N(CCCCl)[*:1]
CC(C)N(CCCCl)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ClCC[*:1] CC(C)N(C[*:1])c1nc2cc(ccc2[nH]1)[N+](=O)[O-]
CC(C)N(CCCCl)c1nc2cc([N+](=O)[O-])ccc2[nH]1 O=[N+]([O-])[*:1] CC(C)N(CCCCl)c1nc2cc(ccc2[nH]1)[*:1]
CC(C)N(CCCCl)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ClCCC[*:1] CC(C)N(c1nc2cc(ccc2[nH]1)[N+](=O)[O-])[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccccc1
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1C[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)c1 O=C(c1ccccc1)[*:1] COc1cccc(c1)[C@@H]1C(=C([O-])C(=O)N1Cc1ccccc1)[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)c1 COc1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1[*:1])c1ccccc1
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
CCOCc1ccccc1CNC(=O)N1CCN(Cc2cc(C)on2)CC1 Cc1cc(no1)[*:1] CCOCc1ccccc1CNC(=O)N1CCN(CC1)C[*:1]
CCOCc1ccccc1CNC(=O)N1CCN(Cc2cc(C)on2)CC1 CCO[*:1] Cc1cc(CN2CCN(CC2)C(=O)NCc2ccccc2C[*:1])no1
CCOCc1ccccc1CNC(=O)N1CCN(Cc2cc(C)on2)CC1 Cc1cc(C[*:1])no1 CCOCc1ccccc1CNC(=O)N1CCN(CC1)[*:1]
CCOCc1ccccc1CNC(=O)N1CCN(Cc2cc(C)on2)CC1 CCOC[*:1] Cc1cc(CN2CCN(CC2)C(=O)NCc2ccccc2[*:1])no1
CCC[NH+]1CCC(CNC(=O)Cc2ccc(C)c(O)c2)CC1 CCC[*:1] Cc1ccc(cc1O)CC(=O)NCC1CC[NH+](CC1)[*:1]
CC(C)c1ccc(CC2([C@H]3CCS(=O)(=O)C3)C[NH2+]C2)cc1 CC(C)[*:1] O=S1(=O)CC[C@@H](C1)C1(C[NH2+]C1)Cc1ccc(cc1)[*:1]
CCOc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 Brc1ccc(cc1)C[*:1] CCOc1ccc(cc1)CN1CC[NH+](CC1)[*:1]
CCOc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 Brc1ccc(cc1)[*:1] CCOc1ccc(cc1)CN1CC[NH+](CC1)C[*:1]
CCOc1ccc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 CCO[*:1] Brc1ccc(cc1)C[NH+]1CCN(CC1)Cc1ccc(cc1)[*:1]
CCN1C(=O)CN(CN(C)Cc2nccs2)C1=O c1csc(n1)[*:1] CCN1C(=O)CN(CN(C)C[*:1])C1=O
CCN1C(=O)CN(CN(C)Cc2nccs2)C1=O c1csc(C[*:1])n1 CCN1C(=O)CN(CN(C)[*:1])C1=O
COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NCC[NH+](C)C)C2=O)cc1 COc1ccc(cc1)[*:1] C/C(NCC[NH+](C)C)=C1/C(=O)NC(=O)N(C1=O)[*:1]
C[C@]1(C(N)=O)CN(CC2CCC2)CCO1 C1CC(C1)C[*:1] C[C@@]1(CN(CCO1)[*:1])C(N)=O
C[C@]1(C(N)=O)CN(CC2CCC2)CCO1 C1CC(C1)[*:1] C[C@@]1(CN(CCO1)C[*:1])C(N)=O
C[C@]1(C(N)=O)CN(CC2CCC2)CCO1 NC(=O)[*:1] C[C@@]1(CN(CCO1)CC1CCC1)[*:1]
CC(C)C[C@H]1Nc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2NC1=O CC(C)C[*:1] O=C(NCC[NH+]1CCCCCC1)c1ccc2N[C@@H](C(=O)Nc2c1)[*:1]
CC(C)C[C@H]1Nc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2NC1=O CC(C)[*:1] O=C(NCC[NH+]1CCCCCC1)c1ccc2N[C@H](C[*:1])C(=O)Nc2c1
CC(=O)Nc1ccc(CCc2nc3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)ccc3[nH]2)cc1 Cc1cccc(c1C)[*:1] CC(=O)Nc1ccc(cc1)CCc1nc2cc(ccc2[nH]1)C(=O)N1CCN(CC1)[*:1]
CC(=O)Nc1ccc(CCc2nc3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)ccc3[nH]2)cc1 CC(=O)Nc1ccc(cc1)CC[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)c1ccc2[nH]c(nc2c1)[*:1]
CC(=O)Nc1ccc(CCc2nc3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)ccc3[nH]2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)c1ccc2[nH]c(CC[*:1])nc2c1
CC(=O)Nc1ccc(CCc2nc3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)ccc3[nH]2)cc1 CC(=O)Nc1ccc(cc1)C[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)c1ccc2[nH]c(C[*:1])nc2c1
CC(=O)Nc1ccc(CCc2nc3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)ccc3[nH]2)cc1 CC(=O)N[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)c1ccc2[nH]c(CCc3ccc(cc3)[*:1])nc2c1
CCc1ccc([C@@H](C)N[C@@H](C)Cc2cc(C)n[nH]2)o1 Cc1cc([nH]n1)[*:1] CCc1ccc(o1)[C@@H](C)N[C@@H](C)C[*:1]
COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@@H]2CCCS2)n1 COC[*:1] O=C(Nc1ccc(Cl)cc1-c1nc(C[*:1])no1)[C@@H]1CCCS1
COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@@H]2CCCS2)n1 COCC[*:1] O=C(Nc1ccc(Cl)cc1-c1nc(no1)[*:1])[C@@H]1CCCS1
COc1cccc(-c2cs/c(=N\c3ccccc3OC)n2CCO)c1 COc1ccccc1[*:1] COc1cccc(c1)-c1csc(=N[*:1])n1CCO
COc1cccc(-c2cs/c(=N\c3ccccc3OC)n2CCO)c1 OCC[*:1] COc1cccc(c1)-c1cs/c(=N\c2ccccc2OC)n1[*:1]
COc1cccc(-c2cs/c(=N\c3ccccc3OC)n2CCO)c1 COc1cccc(c1)[*:1] COc1ccccc1/N=c1\scc(n1CCO)[*:1]
CC(C)Cc1c(-c2ccc(F)c(F)c2F)nn(C)c1N CC(C)[*:1] Cn1nc(-c2ccc(F)c(F)c2F)c(C[*:1])c1N
CC(C)Cc1c(-c2ccc(F)c(F)c2F)nn(C)c1N CC(C)C[*:1] Cn1nc(-c2ccc(F)c(F)c2F)c(c1N)[*:1]
COCCOc1c(Cl)cccc1NC(=O)N1CCOC(C)(C)C1 COC[*:1] CC1(C)CN(CCO1)C(=O)Nc1cccc(Cl)c1OC[*:1]
COCCOc1c(Cl)cccc1NC(=O)N1CCOC(C)(C)C1 COCC[*:1] CC1(C)CN(CCO1)C(=O)Nc1cccc(Cl)c1O[*:1]
COCCOc1c(Cl)cccc1NC(=O)N1CCOC(C)(C)C1 COCCO[*:1] CC1(C)CN(CCO1)C(=O)Nc1cccc(Cl)c1[*:1]
Cc1cc(NC(=O)CCN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)no1 Cc1cc(no1)NC(=O)[*:1] O=C([C@H]1COc2ccccc2O1)N1CCN(CC1)CC[*:1]
Cc1cc(NC(=O)CCN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)no1 Cc1cc(no1)[*:1] O=C(CCN1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1)N[*:1]
CC(C)=C[C@H]1[C@H](C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1(C)C CC(C)=C[*:1] C[C@H](NC(=O)[C@H]1[C@@H](C1(C)C)[*:1])c1cccc(c1)NS(C)(=O)=O
CC(C)=C[C@H]1[C@H](C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1(C)C CS(=O)(=O)N[*:1] CC(C)=C[C@H]1[C@H](C(=O)N[C@@H](C)c2cccc(c2)[*:1])C1(C)C
CC[C@]1(C)C[C@]2(CC[NH2+]C[C@@H]2c2ccccc2F)CCO1 Fc1ccccc1[*:1] CC[C@]1(C)C[C@]2(CC[NH2+]C[C@H]2[*:1])CCO1
CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)o1 Cc1cnn(c1)C[*:1] CC[NH+](CC)Cc1ccc(o1)C(=O)N1CCC[C@H]1[*:1]
CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)o1 Cc1cnn(c1)[*:1] CC[NH+](CC)Cc1ccc(o1)C(=O)N1CCC[C@@H]1C[*:1]
CCOC[C@H]1CCN(C(=O)c2cccc(-c3ccccc3OCC)c2)C1 CCO[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)c2cccc(-c3ccccc3OCC)c2)C1 CCO[*:1] CCOC[C@H]1CCN(C1)C(=O)c1cccc(c1)-c1ccccc1[*:1]
CCOC[C@H]1CCN(C(=O)c2cccc(-c3ccccc3OCC)c2)C1 CCOC[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)N1CC[C@@H](C1)[*:1]
O=C(NOCc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 c1ccc(cc1)[*:1] O=C(NOC[*:1])N1CCC(CC1)c1nc2ccccc2s1
O=C(NOCc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 c1ccc(cc1)C[*:1] O=C(NO[*:1])N1CCC(CC1)c1nc2ccccc2s1
CCO[C@H](C)c1nc(CN(C)Cc2cc(C)ccc2F)cs1 CCO[*:1] Cc1ccc(F)c(c1)CN(C)Cc1csc(n1)[C@@H](C)[*:1]
CCO[C@H](C)c1nc(CN(C)Cc2cc(C)ccc2F)cs1 CCO[C@H](C)[*:1] Cc1ccc(F)c(c1)CN(C)Cc1csc(n1)[*:1]
O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccc(F)cc2)C1=O)c1ccccc1 FC(F)(F)[*:1] O=C(N[C@]1(N=C(O)N(Cc2ccc(F)cc2)C1=O)[*:1])c1ccccc1
O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccc(F)cc2)C1=O)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(N[C@]1(N=C(O)N(C[*:1])C1=O)C(F)(F)F)c1ccccc1
O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccc(F)cc2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C1N(Cc2ccc(F)cc2)C(O)=N[C@@]1(NC(=O)[*:1])C(F)(F)F
O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccc(F)cc2)C1=O)c1ccccc1 Fc1ccc(cc1)C[*:1] O=C(N[C@]1(N=C(O)N(C1=O)[*:1])C(F)(F)F)c1ccccc1
O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccc(F)cc2)C1=O)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C1N(Cc2ccc(F)cc2)C(O)=N[C@@]1(C(F)(F)F)[*:1]
COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC(=O)N1)CCC2 O=C1CC[C@H](N1)[*:1] COc1ccc2CCC[C@@H]([NH2+]C[*:1])c2c1
COc1ccccc1C[C@@H](C(=O)[O-])[C@@H]1CCCCC[C@@H]1O O=C([O-])[*:1] COc1ccccc1C[C@@H]([C@@H]1CCCCC[C@@H]1O)[*:1]
O=C(NCCc1csc(N2CCCC2)n1)N(CCO)C1CC1 C1CCN(C1)[*:1] O=C(NCCc1csc(n1)[*:1])N(CCO)C1CC1
O=C(NCCc1csc(N2CCCC2)n1)N(CCO)C1CC1 OCC[*:1] O=C(NCCc1csc(n1)N1CCCC1)N(C1CC1)[*:1]
O=C(NCCc1csc(N2CCCC2)n1)N(CCO)C1CC1 C1CC1[*:1] O=C(NCCc1csc(n1)N1CCCC1)N(CCO)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1ccc(OCC(F)F)nc1 FC(F)[*:1] CN(Cc1cnn(C)c1)C(=O)c1ccc(nc1)OC[*:1]
CN(Cc1cnn(C)c1)C(=O)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] CN(Cc1cnn(C)c1)C(=O)c1ccc(nc1)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] CN(Cc1cnn(C)c1)C(=O)c1ccc(nc1)O[*:1]
CN(Cc1cnn(C)c1)C(=O)c1ccc(OCC(F)F)nc1 Cn1cc(cn1)C[*:1] CN(C(=O)c1ccc(nc1)OCC(F)F)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1ccc(OCC(F)F)nc1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)c1ccc(nc1)OCC(F)F
CCOc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1 NC(=O)[*:1] CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)C[*:1]
CCOc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1 CCO[*:1] NC(=O)Cc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1 NC(=O)C[*:1] CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(O)c(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1ccc(O)c(c1)-c1cc(n(n1)[*:1])C(F)(F)F
Cc1ccc(O)c(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)c1 FC(F)(F)[*:1] Cc1ccc(O)c(c1)-c1cc(n(n1)-c1ccccc1)[*:1]
Cc1cc(SC(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)nc(=S)[nH]1 O=C(Nc1ccccc1)[*:1] Cc1cc(nc(=S)[nH]1)SC(C(=O)Nc1ccccc1)[*:1]
Cc1cc(SC(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)nc(=S)[nH]1 c1ccc(cc1)[*:1] Cc1cc(nc(=S)[nH]1)SC(C(=O)Nc1ccccc1)C(=O)N[*:1]
CC[NH+](CC)CCN(C(=O)c1ccccc1C)c1nc2cc3c(cc2s1)OCCO3 Cc1ccccc1[*:1] CC[NH+](CC)CCN(C(=O)[*:1])c1nc2cc3OCCOc3cc2s1
Cc1ccc(-n2ncc3c(C)nn(CC(=O)Nc4ccc(F)cc4F)c(=O)c32)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c2c1cnn2[*:1]
Cc1ccc(-n2ncc3c(C)nn(CC(=O)Nc4ccc(F)cc4F)c(=O)c32)c(C)c1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(c(C)c1)-n1ncc2c(C)nn(CC(=O)N[*:1])c(=O)c21
CC[C@@H](CO)NC(=O)c1ccccc1F CC[C@@H](CO)[*:1] O=C(N[*:1])c1ccccc1F
CC[C@@H](NCc1cnc(C(C)(C)C)s1)c1nc(C(F)(F)F)cs1 CC(C)(C)[*:1] CC[C@@H](NCc1cnc(s1)[*:1])c1nc(cs1)C(F)(F)F
CC[C@@H](NCc1cnc(C(C)(C)C)s1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NCc1cnc(s1)C(C)(C)C)c1nc(cs1)[*:1]
CCC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)C(=O)[O-] CCC[*:1] Cc1ccc(cc1C)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)[*:1]
CCC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)C(=O)[O-] CCC[C@@H](C)[*:1] Cc1ccc(cc1C)S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
CCC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)C(=O)[O-] O=C([O-])[*:1] CCC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 CC[C@@H](C)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[*:1]
CC(C)[C@@H](CNC(=O)CSc1ccccc1F)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@@H](CNC(=O)CSc1ccccc1F)[*:1]
CC(C)[C@@H](CNC(=O)CSc1ccccc1F)N1CCOCC1 CC(C)[*:1] O=C(CSc1ccccc1F)NC[C@@H](N1CCOCC1)[*:1]
CC(C)[C@@H](CNC(=O)CSc1ccccc1F)N1CCOCC1 Fc1ccccc1[*:1] CC(C)[C@@H](CNC(=O)CS[*:1])N1CCOCC1
COc1ccccc1CN(C)C(=O)/C=C/SCc1ccco1 c1coc(c1)C[*:1] COc1ccccc1CN(C)C(=O)/C=C/S[*:1]
COc1ccccc1CN(C)C(=O)/C=C/SCc1ccco1 c1coc(c1)CS[*:1] COc1ccccc1CN(C)C(=O)C=C[*:1]
COc1ccccc1CN(C)C(=O)/C=C/SCc1ccco1 c1coc(c1)[*:1] COc1ccccc1CN(C)C(=O)/C=C/SC[*:1]
COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc1 COC(=O)[*:1] CC1NC(=O)N[C@H](C=1C(=O)OCC(C)C)c1ccc(cc1)[*:1]
COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc1 CC(C)[*:1] COC(=O)c1ccc(cc1)[C@@H]1NC(=O)NC(C)=C1C(=O)OC[*:1]
COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc1 CC(C)C[*:1] COC(=O)c1ccc(cc1)[C@@H]1NC(=O)NC(C)=C1C(=O)O[*:1]
COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc1 CC(C)COC(=O)[*:1] COC(=O)c1ccc(cc1)[C@@H]1NC(=O)NC(C)=C1[*:1]
O=C(N[C@@H](c1ccccc1)c1ccncc1)c1scnc1C1CC1 c1ccc(cc1)[*:1] O=C(N[C@@H](c1ccncc1)[*:1])c1scnc1C1CC1
O=C(N[C@@H](c1ccccc1)c1ccncc1)c1scnc1C1CC1 c1nc(c(s1)[*:1])C1CC1 O=C(N[C@@H](c1ccccc1)c1ccncc1)[*:1]
O=C(N[C@@H](c1ccccc1)c1ccncc1)c1scnc1C1CC1 c1cc(ccn1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1scnc1C1CC1
O=C(N[C@@H](c1ccccc1)c1ccncc1)c1scnc1C1CC1 C1CC1[*:1] O=C(N[C@@H](c1ccccc1)c1ccncc1)c1scnc1[*:1]
C[NH+](C)Cc1cc(C(=O)/C=C/c2ccccc2)cc(C[NH+](C)C)c1[O-] C(=C[*:1])c1ccccc1 C[NH+](C)Cc1cc(cc(C[NH+](C)C)c1[O-])C(=O)[*:1]
C[NH+](C)Cc1cc(C(=O)/C=C/c2ccccc2)cc(C[NH+](C)C)c1[O-] c1ccc(cc1)[*:1] C[NH+](C)Cc1cc(cc(C[NH+](C)C)c1[O-])C(=O)C=C[*:1]
CC(C)N(C(=O)c1cccc(Oc2cnccn2)c1)C(C)C c1cnc(cn1)[*:1] CC(C)N(C(=O)c1cccc(c1)O[*:1])C(C)C
CC(C)N(C(=O)c1cccc(Oc2cnccn2)c1)C(C)C c1cnc(cn1)O[*:1] CC(C)N(C(=O)c1cccc(c1)[*:1])C(C)C
CC(C)N(C(=O)c1cccc(Oc2cnccn2)c1)C(C)C CC(C)[*:1] CC(C)N(C(=O)c1cccc(c1)Oc1cnccn1)[*:1]
CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nccn2-c2cc(C)cc(C)c2)CC1 Cc1cc(C)cc(c1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)[C@@H](C)Sc1nccn1[*:1]
CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nccn2-c2cc(C)cc(C)c2)CC1 CCOC(=O)[*:1] Cc1cc(C)cc(c1)-n1ccnc1S[C@H](C)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4s3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])Nc1nc2ccccc2s1
C[C@H](C(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1)n1ccnc1 c1ccc(cc1)[*:1] C[C@H](C(=O)N1CCc2c(C1)nc([nH]c2=O)[*:1])n1ccnc1
C[C@H](C(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1)n1ccnc1 c1cn(cn1)[*:1] C[C@H](C(=O)N1CCc2c(C1)nc([nH]c2=O)-c1ccccc1)[*:1]
CSCC[C@@H](NC(N)=O)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C CSC[*:1] C[C@@H]1C[C@H](CN1C(=O)[C@@H](C[*:1])NC(N)=O)c1ccc(F)cc1
CSCC[C@@H](NC(N)=O)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C NC(=O)N[*:1] CSCC[C@@H](C(=O)N1C[C@@H](C[C@H]1C)c1ccc(F)cc1)[*:1]
CSCC[C@@H](NC(N)=O)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C CSCC[*:1] C[C@@H]1C[C@H](CN1C(=O)[C@H](NC(N)=O)[*:1])c1ccc(F)cc1
CSCC[C@@H](NC(N)=O)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C Fc1ccc(cc1)[*:1] CSCC[C@@H](NC(N)=O)C(=O)N1C[C@H](C[C@H]1C)[*:1]
C[C@@H](O)c1cc2cccc3c2n(c1=O)CCC3 C[C@@H](O)[*:1] O=c1c(cc2cccc3CCCn1c32)[*:1]
CCCCc1cn(CC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)nn1 c1cc2cc(ccc2[nH]1)[*:1] CCCCc1cn(CC2CCN(CC2)C(=O)[*:1])nn1
CCCCc1cn(CC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)nn1 CCCCc1cn(nn1)[*:1] O=C(c1ccc2[nH]ccc2c1)N1CCC(CC1)C[*:1]
CCCCc1cn(CC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)nn1 CCCC[*:1] O=C(c1ccc2[nH]ccc2c1)N1CCC(CC1)Cn1cc(nn1)[*:1]
CCCCc1cn(CC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)nn1 CCC[*:1] O=C(c1ccc2[nH]ccc2c1)N1CCC(CC1)Cn1cc(C[*:1])nn1
COCCn1cnnc1SCc1ccccc1C#N COC[*:1] N#Cc1ccccc1CSc1nncn1C[*:1]
COCCn1cnnc1SCc1ccccc1C#N COCC[*:1] N#Cc1ccccc1CSc1nncn1[*:1]
CC(C)(O)CCN1C(=O)C(=O)c2cccc(Cl)c21 CC(C)(O)[*:1] O=C1C(=O)N(CC[*:1])c2c(Cl)cccc21
CC(C)(O)CCN1C(=O)C(=O)c2cccc(Cl)c21 CC(C)(O)C[*:1] O=C1C(=O)N(C[*:1])c2c(Cl)cccc21
CC(C)(O)CCN1C(=O)C(=O)c2cccc(Cl)c21 CC(C)(O)CC[*:1] O=C1C(=O)N(c2c(Cl)cccc21)[*:1]
Nc1sc(-c2ccccc2)cc1C(=O)NNC(=S)NC1CCCCC1 c1ccc(cc1)[*:1] Nc1sc(cc1C(=O)NNC(=S)NC1CCCCC1)[*:1]
Nc1sc(-c2ccccc2)cc1C(=O)NNC(=S)NC1CCCCC1 C1CCC(CC1)[*:1] Nc1sc(cc1C(=O)NNC(=S)N[*:1])-c1ccccc1
CCO/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 CCO[*:1] O=C1C(=C[*:1])c2ccccc2C(=O)N1c1cccc(c1)C(F)(F)F
CCO/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 FC(F)(F)[*:1] CCO/C=C1/C(=O)N(C(=O)c2ccccc21)c1cccc(c1)[*:1]
CS[C@@H]1CC[C@H](NC(=O)C(=O)Nc2c(C)cccc2C(C)C)C1 CC(C)[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1c(C)cccc1[*:1]
O=c1oc2ccccc2n1CCCl ClCC[*:1] O=c1oc2ccccc2n1[*:1]
C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)C1CCC1 C[C@@H](C1CCC1)[*:1] C[C@](O)(C[NH2+][*:1])c1ccc(F)cc1
C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)C1CCC1 C1CC(C1)[*:1] C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)[*:1]
CCS[C@@H]1CC[C@H](NC(=O)c2ccccc2N(C)C(=O)CC)C1 CCS[*:1] CCC(=O)N(C)c1ccccc1C(=O)N[C@H]1CC[C@H](C1)[*:1]
CCS[C@@H]1CC[C@H](NC(=O)c2ccccc2N(C)C(=O)CC)C1 CCC(=O)N(C)[*:1] CCS[C@@H]1CC[C@@H](C1)NC(=O)c1ccccc1[*:1]
CCc1ccc(CN(C)S(=O)(=O)c2ccc(CC#N)cc2)cc1 N#CC[*:1] CCc1ccc(cc1)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(F)cc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(n[nH]1)[*:1])c1ccc(F)cc1
Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(cc1Cl)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 N#Cc1ccc(cc1Cl)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
C[NH+](C)CC(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)CC(=O)Nc1ccccc1O[*:1]
Cn1nccc1C(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 Cn1nccc1C(=O)N[*:1] Clc1ccc(cc1)C1(CCC1)C[NH+]1CCC(CC1)[*:1]
Cn1nccc1C(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 Clc1ccc(cc1)[*:1] Cn1nccc1C(=O)NC1CC[NH+](CC1)CC1(CCC1)[*:1]
Cn1nccc1C(=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 Cn1nccc1[*:1] O=C(NC1CC[NH+](CC1)CC1(CCC1)c1ccc(Cl)cc1)[*:1]
CCn1c([C@@H]2CCCN2c2cc(C)[nH+]c(C3CC3)n2)nc2ccccc21 C1CC1[*:1] CCn1c(nc2ccccc21)[C@@H]1CCCN1c1cc(C)[nH+]c(n1)[*:1]
Cc1ccsc1CN(C)C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccsc1CN(C)C(=O)[C@@H](C)NC(=O)[*:1]
Cc1ccsc1CN(C)C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 Cc1ccsc1C[*:1] C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[*:1]
Cc1ccsc1CN(C)C(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 Cc1ccsc1[*:1] C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)C[*:1]
CCC1(CC)CCN(c2cccc(F)c2C(C)=O)C1 CC(=O)[*:1] CCC1(CC)CCN(C1)c1cccc(F)c1[*:1]
Cc1noc(NC(=O)Cc2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] Cc1noc(n1)NC(=O)Cc1cccc(c1)[*:1]
Cc1noc(NC(=O)Cc2cccc(C(F)(F)F)c2)n1 Cc1noc(n1)[*:1] O=C(Cc1cccc(c1)C(F)(F)F)N[*:1]
CC1=C[C@@H](C(=O)N2CC[C@]3(CCCN(Cc4ccc(C(C)C)cc4)C3=O)C2)N=N1 CC(C)[*:1] CC1=C[C@H](N=N1)C(=O)N1CC[C@]2(CCCN(Cc3ccc(cc3)[*:1])C2=O)C1
CC1=C[C@@H](C(=O)N2CC[C@]3(CCCN(Cc4ccc(C(C)C)cc4)C3=O)C2)N=N1 CC(C)c1ccc(cc1)[*:1] CC1=C[C@H](N=N1)C(=O)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
CCc1nc2c(s1)[C@@H](N(C)C(C)=O)CCC2 CC(=O)N(C)[*:1] CCc1nc2CCC[C@H](c2s1)[*:1]
COC(=O)c1cccc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1 COC(=O)[*:1] C[C@H]1CN(Cc2ccc(cc2)CNC(=O)c2cccc(c2)[*:1])C[C@H](C)O1
COCCOc1ccc(Cl)cc1S(=O)(=O)Oc1ccccc1F Fc1ccccc1[*:1] COCCOc1ccc(Cl)cc1S(=O)(=O)O[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)Oc1ccccc1F COCC[*:1] O=S(=O)(Oc1ccccc1F)c1cc(Cl)ccc1O[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)Oc1ccccc1F COC[*:1] O=S(=O)(Oc1ccccc1F)c1cc(Cl)ccc1OC[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)Oc1ccccc1F COCCO[*:1] O=S(=O)(Oc1ccccc1F)c1cc(Cl)ccc1[*:1]
COc1ccccc1CC(C)(C)NC(=O)N[C@H](C)c1ncc(C)s1 Cc1cnc(s1)[*:1] COc1ccccc1CC(C)(C)NC(=O)N[C@H](C)[*:1]
COc1ccccc1CC(C)(C)NC(=O)N[C@H](C)c1ncc(C)s1 COc1ccccc1[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NC(C)(C)C[*:1]
COc1cccc(-c2nnc(SCC(=O)NC(C)(C)C)n2-c2ccccc2)c1 COc1cccc(c1)[*:1] CC(C)(C)NC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
COc1cccc(-c2nnc(SCC(=O)NC(C)(C)C)n2-c2ccccc2)c1 CC(C)(C)NC(=O)C[*:1] COc1cccc(c1)-c1nnc(S[*:1])n1-c1ccccc1
COc1cccc(-c2nnc(SCC(=O)NC(C)(C)C)n2-c2ccccc2)c1 CC(C)(C)[*:1] COc1cccc(c1)-c1nnc(SCC(=O)N[*:1])n1-c1ccccc1
COc1cccc(-c2nnc(SCC(=O)NC(C)(C)C)n2-c2ccccc2)c1 CC(C)(C)NC(=O)CS[*:1] COc1cccc(c1)-c1nnc(n1-c1ccccc1)[*:1]
COc1cccc(-c2nnc(SCC(=O)NC(C)(C)C)n2-c2ccccc2)c1 CC(C)(C)NC(=O)[*:1] COc1cccc(c1)-c1nnc(SC[*:1])n1-c1ccccc1
COc1cccc(-c2nnc(SCC(=O)NC(C)(C)C)n2-c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1nnc(SCC(=O)NC(C)(C)C)n1[*:1]
CC(C)c1cc(Br)ccc1NC(=O)N1CC[C@H](CO)C1 CC(C)[*:1] O=C(Nc1ccc(Br)cc1[*:1])N1CC[C@H](CO)C1
Cc1cc(C)c(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2)c(=O)[nH]1 Fc1cccc(c1)[*:1] Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]2[*:1])c(=O)[nH]1
CSCC[C@](C)(O)CNC(=O)c1ccc(F)cc1F CSCC[*:1] C[C@](O)(CNC(=O)c1ccc(F)cc1F)[*:1]
CSCC[C@](C)(O)CNC(=O)c1ccc(F)cc1F CSC[*:1] C[C@@](O)(CNC(=O)c1ccc(F)cc1F)C[*:1]
NC(=O)c1csc(N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)n1 NC(=O)[*:1] O=S(=O)(NC[C@H]1CCCN(C1)c1nc(cs1)[*:1])c1cccs1
NC(=O)c1csc(N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)n1 NC(=O)c1csc(n1)[*:1] O=S(=O)(NC[C@H]1CCCN(C1)[*:1])c1cccs1
NC(=O)c1csc(N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)n1 c1csc(c1)[*:1] NC(=O)c1csc(n1)N1CCC[C@H](CNS(=O)(=O)[*:1])C1
C[C@H](c1ccncc1)N(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 C[C@H](c1ccncc1)[*:1] CN(C(=O)NCc1[nH+]ccn1CCc1ccccc1)[*:1]
C[C@H](c1ccncc1)N(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](c1ccncc1)N(C)C(=O)NCc1[nH+]ccn1CC[*:1]
C[C@H](c1ccncc1)N(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)CC[*:1] C[C@H](c1ccncc1)N(C)C(=O)NCc1[nH+]ccn1[*:1]
C[C@H](c1ccncc1)N(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](c1ccncc1)N(C)C(=O)NCc1[nH+]ccn1C[*:1]
C[C@H](c1ccncc1)N(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 c1cc(ccn1)[*:1] C[C@H](N(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1)[*:1]
CCOCCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C CCO[*:1] C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC[*:1]
CCOCCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C CCOCC[*:1] C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[*:1]
CCOCCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C CCOC[*:1] C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[*:1]
CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 O=C(N1CCOCC1)[*:1] CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(CC1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)C[NH+]1CCC(CC1)C(=O)N1CCOCC1
CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 Fc1ccc(cc1)C[*:1] CN(C(=O)C[NH+]1CCC(CC1)C(=O)N1CCOCC1)[*:1]
CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@H]21 FC(F)(F)O[*:1] CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(C(=O)[C@H]21)c1ccc(cc1)[*:1]
CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@H]21 FC(F)(F)[*:1] CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(C(=O)[C@H]21)c1ccc(cc1)O[*:1]
COc1ccccc1NC(=O)NCCNc1cnccn1 c1cnc(cn1)N[*:1] COc1ccccc1NC(=O)NCC[*:1]
COc1ccccc1NC(=O)NCCNc1cnccn1 c1cnc(cn1)[*:1] COc1ccccc1NC(=O)NCCN[*:1]
Cc1ccncc1NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C CC(C)[*:1] Cc1ccncc1NC(=O)[C@H](Oc1cccc(Cl)c1)[*:1]
Cc1ccncc1NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C Clc1cccc(c1)[*:1] Cc1ccncc1NC(=O)[C@H](O[*:1])C(C)C
Cc1ccncc1NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C Cc1ccncc1[*:1] CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[*:1]
CCn1cc[nH+]c1C[C@H](O)CSCC(C)C CC(C)[*:1] CCn1cc[nH+]c1C[C@H](O)CSC[*:1]
CCn1cc[nH+]c1C[C@H](O)CSCC(C)C CC(C)CS[*:1] CCn1cc[nH+]c1C[C@H](O)C[*:1]
CCn1cc[nH+]c1C[C@H](O)CSCC(C)C CC(C)C[*:1] CCn1cc[nH+]c1C[C@H](O)CS[*:1]
CN[C@@]1(C#N)CCC[C@H]1CCSc1ncn[nH]1 c1n[nH]c(n1)[*:1] CN[C@@]1(C#N)CCC[C@H]1CCS[*:1]
Cc1ccccc1NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 Cc1ccccc1[*:1] CC1CC[NH+](CCCCNC(=O)C(=O)N[*:1])CC1
CCn1/c(=N/C(=O)C2=COCCO2)sc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CCn1/c(=N/C(=O)C2=COCCO2)sc2cc(ccc21)[*:1]
Cc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1I c1ccc(cc1)C[*:1] Cc1ccc(cc1I)NC(=O)CCNC(=O)[*:1]
Cc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1I c1ccc(cc1)[*:1] Cc1ccc(cc1I)NC(=O)CCNC(=O)C[*:1]
COCCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C)cc1 COCC[*:1] C[C@H]1CCN(C(=O)c2ccc(cc2)S(=O)(=O)[*:1])[C@@H](C)C1
COCCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C)cc1 COCCS(=O)(=O)[*:1] C[C@H]1CCN(C(=O)c2ccc(cc2)[*:1])[C@@H](C)C1
COCCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C)cc1 COC[*:1] C[C@H]1CCN(C(=O)c2ccc(cc2)S(=O)(=O)C[*:1])[C@@H](C)C1
Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)no1 Fc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)NC[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)NCc1ccc(F)cc1
Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)no1 Fc1ccc(cc1)C[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)N[*:1]
CCOc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nnco3)c2)cc1 c1nnc(o1)[*:1] CCOc1ccc(cc1)[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
CCOc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nnco3)c2)cc1 CCO[*:1] C[C@@H](NC(=O)Nc1cccc(c1)-c1nnco1)c1ccc(cc1)[*:1]
Cc1cccc(N2CCN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)CC2)c1C Cc1cccc(c1C)[*:1] O=C(NCC(=O)N1CCN(CC1)[*:1])c1sc2ccccc2c1Cl
Cc1cccc(N2CCN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)CC2)c1C Clc1c(sc2ccccc12)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)CNC(=O)[*:1]
NC(=O)c1ccc(Cl)c(N2C(=O)C=CC2=O)c1 NC(=O)[*:1] O=C1C=CC(=O)N1c1cc(ccc1Cl)[*:1]
COc1cc(C(=O)NCC2CC2)cc2occc12 C1CC1[*:1] COc1cc(cc2occc12)C(=O)NC[*:1]
COc1cc(C(=O)NCC2CC2)cc2occc12 C1CC1C[*:1] COc1cc(cc2occc12)C(=O)N[*:1]
C/C(=N\O)c1cccc(OC(F)F)c1 CC(=NO)[*:1] FC(F)Oc1cccc(c1)[*:1]
C/C(=N\O)c1cccc(OC(F)F)c1 FC(F)O[*:1] C/C(=N\O)c1cccc(c1)[*:1]
C/C(=N\O)c1cccc(OC(F)F)c1 FC(F)[*:1] C/C(=N\O)c1cccc(c1)O[*:1]
Cc1cccc(CC(=O)NCC2CCN(c3ncnc4ccccc34)CC2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])NCC1CCN(CC1)c1ncnc2ccccc12
Cc1cccc(CC(=O)NCC2CCN(c3ncnc4ccccc34)CC2)c1 Cc1cccc(c1)C[*:1] O=C(NCC1CCN(CC1)c1ncnc2ccccc12)[*:1]
CNC(=O)c1cc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Cl CNC(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)C(=O)Nc1ccc(Cl)c(c1)[*:1]
C[NH2+][C@H]1[C@H](CN(C)CCC[NH+](C)C)CCC1(C)C C[NH+](C)CCC[*:1] C[NH2+][C@H]1[C@@H](CCC1(C)C)CN(C)[*:1]
C[NH2+][C@H]1[C@H](CN(C)CCC[NH+](C)C)CCC1(C)C C[NH+](C)CC[*:1] C[NH2+][C@H]1[C@@H](CCC1(C)C)CN(C)C[*:1]
Cc1ccsc1C(=O)NNC(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccsc1C(=O)NNC(=O)N[C@@H](Cn1cncn1)[*:1]
Cc1ccsc1C(=O)NNC(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(n1)[*:1] Cc1ccsc1C(=O)NNC(=O)N[C@@H](C[*:1])c1ccccc1
Cc1ccsc1C(=O)NNC(=O)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(C[*:1])n1 Cc1ccsc1C(=O)NNC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccsc1C(=O)NNC(=O)N[C@@H](Cn1cncn1)c1ccccc1 Cc1ccsc1[*:1] O=C(NNC(=O)[*:1])N[C@@H](Cn1cncn1)c1ccccc1
C[NH+](C)[C@@H]1CC[C@H](NC(=O)Nc2cnn(C(C)(C)C)c2)C1 CC(C)(C)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)Nc1cnn(c1)[*:1]
Brc1cc(-c2ccccc2)c(C2CC2)s1 C1CC1[*:1] Brc1cc(-c2ccccc2)c(s1)[*:1]
N#Cc1c(F)cccc1NC(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1c(F)cccc1NC(=O)c1cccc(c1)[*:1]
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)OCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2[*:1]
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C(C)C)c1 Cc1cccc(c1)OC[*:1] CC(C)n1c(C[NH+]2CCCCC2)nc2cc(ccc21)NC(=O)[*:1]
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C(C)C)c1 Cc1cccc(c1)O[*:1] CC(C)n1c(C[NH+]2CCCCC2)nc2cc(ccc21)NC(=O)C[*:1]
Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)n1c(C[NH+]2CCCCC2)nc2cc(ccc21)NC(=O)CO[*:1]
COc1cccc(Nc2ncnc(-n3cnc4ccccc43)c2[N+](=O)[O-])c1 COc1cccc(c1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])-n1cnc2ccccc21
COc1cccc(Nc2ncnc(-n3cnc4ccccc43)c2[N+](=O)[O-])c1 COc1cccc(c1)[*:1] O=[N+]([O-])c1c(ncnc1-n1cnc2ccccc21)N[*:1]
COc1cccc(Nc2ncnc(-n3cnc4ccccc43)c2[N+](=O)[O-])c1 c1ccc2c(c1)ncn2[*:1] COc1cccc(c1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
COc1cccc(Nc2ncnc(-n3cnc4ccccc43)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cccc(c1)Nc1ncnc(c1[*:1])-n1cnc2ccccc21
O=C([C@H]1CCCOC1)[C@@H]1CCOC2(CCOCC2)C1 C1COC[C@H](C1)[*:1] O=C([C@@H]1CCOC2(CCOCC2)C1)[*:1]
Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC2CCCCC2)o1 Cc1ccc(o1)[*:1] O=C(NCC1CCCCC1)C(=C[*:1])NC(=O)c1ccccc1
Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC2CCCCC2)o1 O=C(N[*:1])c1ccccc1 Cc1ccc(C=C(C(=O)NCC2CCCCC2)[*:1])o1
Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC2CCCCC2)o1 c1ccc(cc1)[*:1] Cc1ccc(/C=C(\NC(=O)[*:1])C(=O)NCC2CCCCC2)o1
Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC2CCCCC2)o1 C1CCC(CC1)[*:1] Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC[*:1])o1
Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC2CCCCC2)o1 C1CCC(CC1)C[*:1] Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[*:1])o1
N#CCCn1c(SC(F)F)nc2ccccc21 N#CCC[*:1] FC(F)Sc1nc2ccccc2n1[*:1]
N#CCCn1c(SC(F)F)nc2ccccc21 FC(F)[*:1] N#CCCn1c(nc2ccccc21)S[*:1]
N#CCCn1c(SC(F)F)nc2ccccc21 N#CC[*:1] FC(F)Sc1nc2ccccc2n1C[*:1]
N#CCCn1c(SC(F)F)nc2ccccc21 FC(F)S[*:1] N#CCCn1c(nc2ccccc21)[*:1]
O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCNc1ccccc1[N+](=O)[O-])[*:1]
O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] O=C(NCCNc1ccccc1[*:1])c1ccccc1
COc1ccc(O[C@@H](C)CNC2=NS(=O)(=O)c3ccccc32)cc1 COc1ccc(cc1)[*:1] C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)O[*:1]
Cc1ncsc1CCOC(=O)CCc1nc2c(F)cccc2[nH]1 Cc1ncsc1[*:1] O=C(CCc1nc2c(F)cccc2[nH]1)OCC[*:1]
Cc1ncsc1CCOC(=O)CCc1nc2c(F)cccc2[nH]1 Cc1ncsc1C[*:1] O=C(CCc1nc2c(F)cccc2[nH]1)OC[*:1]
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)NC1CCCCCC1 c1coc(c1)[*:1] O=C(CN(C[*:1])S(=O)(=O)c1ccccc1F)NC1CCCCCC1
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)N[*:1]
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)NC1CCCCCC1 c1coc(c1)C[*:1] O=C(CN(S(=O)(=O)c1ccccc1F)[*:1])NC1CCCCCC1
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)NC1CCCCCC1 Fc1ccccc1[*:1] O=C(CN(Cc1ccco1)S(=O)(=O)[*:1])NC1CCCCCC1
O=C(NC[C@@H](O)c1ccccc1F)N[C@H]1C[C@@H]2CCCc3cccc1c32 Fc1ccccc1[*:1] O=C(NC[C@@H](O)[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)O[*:1]
CS[C@@H]1CCC[C@H](NC(=O)N2CCOC[C@@H]2C2CC2)C1 C1CC1[*:1] CS[C@@H]1CCC[C@@H](C1)NC(=O)N1CCOC[C@H]1[*:1]
CCO[C@@H]1C[C@@H]([O-])C12CCN(C(=O)C1=Cc3cc(F)ccc3OC1)CC2 CCO[*:1] O=C(C1=Cc2cc(F)ccc2OC1)N1CCC2(CC1)[C@H]([O-])C[C@H]2[*:1]
Cc1ccn2c(=O)c(C(=O)NC[C@@H](C)O)c(O)nc2c1 C[C@@H](O)[*:1] Cc1ccn2c(=O)c(C(=O)NC[*:1])c(O)nc2c1
Cc1ccn2c(=O)c(C(=O)NC[C@@H](C)O)c(O)nc2c1 C[C@@H](O)C[*:1] Cc1ccn2c(=O)c(C(=O)N[*:1])c(O)nc2c1
O=C(CSc1nc(-c2ccccc2)cs1)NCc1cccs1 c1ccc(cc1)[*:1] O=C(CSc1nc(cs1)[*:1])NCc1cccs1
O=C(CSc1nc(-c2ccccc2)cs1)NCc1cccs1 c1csc(c1)[*:1] O=C(CSc1nc(cs1)-c1ccccc1)NC[*:1]
O=C(CSc1nc(-c2ccccc2)cs1)NCc1cccs1 c1csc(c1)C[*:1] O=C(CSc1nc(cs1)-c1ccccc1)N[*:1]
C[C@H](Sc1ncc(-c2ccccc2)n1C1CC1)c1nc2ccccc2c(=O)[nH]1 c1ccc(cc1)[*:1] C[C@H](Sc1ncc(n1C1CC1)[*:1])c1nc2ccccc2c(=O)[nH]1
C[C@H](Sc1ncc(-c2ccccc2)n1C1CC1)c1nc2ccccc2c(=O)[nH]1 C1CC1[*:1] C[C@H](Sc1ncc(-c2ccccc2)n1[*:1])c1nc2ccccc2c(=O)[nH]1
O=C1CN(S(=O)(=O)c2ccc(C(=O)NC3CCC3)cc2)CCN1 O=C(NC1CCC1)[*:1] O=C1CN(CCN1)S(=O)(=O)c1ccc(cc1)[*:1]
O=C1CN(S(=O)(=O)c2ccc(C(=O)NC3CCC3)cc2)CCN1 C1CC(C1)[*:1] O=C1CN(CCN1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
S=C(NC[C@H]1CCCO1)Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)N[*:1] S=C(NC[C@H]1CCCO1)Nc1ccc(cc1)[*:1]
S=C(NC[C@H]1CCCO1)Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)[*:1] S=C(NC[C@H]1CCCO1)Nc1ccc(cc1)N[*:1]
Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ncccn3)CC2)nc(C)[nH+]1 c1cnc(nc1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)C[n+]1ccc(C(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C[n+]1ccc(cc1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)C[n+]1ccc(C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C[n+]1ccc(cc1)C(=O)[*:1]
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)n2N)cc1 Cc1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1N)[*:1])C(=O)Nc1cccc(Cl)c1Cl
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)n2N)cc1 Clc1cccc(c1Cl)[*:1] Cc1ccc(cc1)-c1nnc(S[C@@H](C)C(=O)N[*:1])n1N
Cc1n[nH]c(-c2cccc(CNC(=O)[C@H]3CC[C@H]4CCCC[C@@H]4C3)c2)n1 Cc1n[nH]c(n1)[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1CC[C@H]2CCCC[C@@H]2C1
CC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1 CC(=O)[*:1] C[C@@H](NS(=O)(=O)c1cccc(c1)[*:1])c1ccc(cc1)-c1ccccc1
CC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1 CC(=O)c1cccc(c1)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1ccc(cc1)-c1ccccc1
CC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1ccsc1CCNC(=O)[C@H]1C=C(c2ccc(F)cc2)N=N1 Cc1ccsc1C[*:1] O=C(NC[*:1])[C@H]1C=C(N=N1)c1ccc(F)cc1
Cc1ccsc1CCNC(=O)[C@H]1C=C(c2ccc(F)cc2)N=N1 Cc1ccsc1[*:1] O=C(NCC[*:1])[C@H]1C=C(N=N1)c1ccc(F)cc1
Cc1ccsc1CCNC(=O)[C@H]1C=C(c2ccc(F)cc2)N=N1 Fc1ccc(cc1)[*:1] Cc1ccsc1CCNC(=O)[C@H]1C=C(N=N1)[*:1]
O=C([O-])[C@@]1([NH2+]C2CC2)CC[C@H](OC2CCC2)C1 C1CC(C1)O[*:1] O=C([O-])[C@]1(CC[C@H](C1)[*:1])[NH2+]C1CC1
O=C([O-])[C@@]1([NH2+]C2CC2)CC[C@H](OC2CCC2)C1 O=C([O-])[*:1] C1CC(C1)O[C@H]1CC[C@@](C1)([NH2+]C1CC1)[*:1]
O=C([O-])[C@@]1([NH2+]C2CC2)CC[C@H](OC2CCC2)C1 C1CC(C1)[*:1] O=C([O-])[C@]1(CC[C@@H](C1)O[*:1])[NH2+]C1CC1
O=C([O-])[C@@]1([NH2+]C2CC2)CC[C@H](OC2CCC2)C1 C1CC1[*:1] O=C([O-])[C@]1(CC[C@@H](C1)OC1CCC1)[NH2+][*:1]
N#C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1F Fc1ccccc1[*:1] N#C[C@H](NS(=O)(=O)c1ccc2CCCc2c1)[*:1]
CC(C)c1ccc(OC[C@@H](O)CC(N)=[NH2+])cc1 CC(C)[*:1] NC(=[NH2+])C[C@H](O)COc1ccc(cc1)[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)c1cccc(c1)[*:1]
CCC[C@@H](NC(=O)[C@H]1CCCCC[C@@H]1[NH3+])c1cccs1 c1csc(c1)[*:1] CCC[C@@H](NC(=O)[C@H]1CCCCC[C@@H]1[NH3+])[*:1]
CCC[C@@H](NC(=O)[C@H]1CCCCC[C@@H]1[NH3+])c1cccs1 CCC[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)N[C@@H](c1cccs1)[*:1]
CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H](OC(C)(C)C)C1 CCC[*:1] CC(C)(C)O[C@H]1CCC[C@](C1)([NH2+][*:1])C(=O)[O-]
CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H](OC(C)(C)C)C1 O=C([O-])[*:1] CCC[NH2+][C@@]1(CCC[C@@H](C1)OC(C)(C)C)[*:1]
CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H](OC(C)(C)C)C1 CC(C)(C)[*:1] CCC[NH2+][C@@]1(CCC[C@@H](C1)O[*:1])C(=O)[O-]
CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H](OC(C)(C)C)C1 CC(C)(C)O[*:1] CCC[NH2+][C@@]1(CCC[C@H](C1)[*:1])C(=O)[O-]
CC(C)CC(=O)N(C)c1ccc(C(C)(C)C)cc1 CC(C)[*:1] CN(C(=O)C[*:1])c1ccc(cc1)C(C)(C)C
CC(C)CC(=O)N(C)c1ccc(C(C)(C)C)cc1 CC(C)C[*:1] CN(C(=O)[*:1])c1ccc(cc1)C(C)(C)C
CC(C)CC(=O)N(C)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)CC(=O)N(C)c1ccc(cc1)[*:1]
CCc1ccc(C2=CCN(C(=O)Nc3c(C)noc3CC)CC2)cc1 CCc1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)N1CC=C(CC1)[*:1]
CCc1ccc(C2=CCN(C(=O)Nc3c(C)noc3CC)CC2)cc1 CCc1onc(C)c1[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)N[*:1]
C[C@@H](O)[C@@H](C)Nc1ccc(Br)cc1C(F)(F)F C[C@@H](O)[*:1] C[C@@H](Nc1ccc(Br)cc1C(F)(F)F)[*:1]
C[C@@H](O)[C@@H](C)Nc1ccc(Br)cc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](O)[C@@H](C)Nc1ccc(Br)cc1[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C1 c1ccn2cc(nc2c1)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)c1cccc(c1)OC[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C1 O=C(Nc1ccccc1)[*:1] O=C(c1cccc(c1)OCc1cn2ccccc2n1)N1CCC[C@@H](C1)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cccc(c1)OCc1cn2ccccc2n1
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C1 c1ccn2cc(C[*:1])nc2c1 O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)c1cccc(c1)O[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C1 c1ccn2cc(CO[*:1])nc2c1 O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O FC(F)(F)[*:1] C[C@@]1(NC(=O)N(Cc2ccc(cc2)[N+](=O)[O-])C1=O)c1ccc(cc1)O[*:1]
C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(cc1)OC(F)(F)F
C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] C[C@@]1(NC(=O)N(Cc2ccc(cc2)[*:1])C1=O)c1ccc(cc1)OC(F)(F)F
C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O FC(F)(F)O[*:1] C[C@@]1(NC(=O)N(Cc2ccc(cc2)[N+](=O)[O-])C1=O)c1ccc(cc1)[*:1]
CC(C)COCCC(=O)Nn1cnc2sc3c(c2c1=O)CCCC3 CC(C)COC[*:1] O=C(C[*:1])Nn1cnc2sc3CCCCc3c2c1=O
CC(C)COCCC(=O)Nn1cnc2sc3c(c2c1=O)CCCC3 CC(C)CO[*:1] O=C(CC[*:1])Nn1cnc2sc3CCCCc3c2c1=O
CC(C)COCCC(=O)Nn1cnc2sc3c(c2c1=O)CCCC3 CC(C)[*:1] O=C(CCOC[*:1])Nn1cnc2sc3CCCCc3c2c1=O
CC(C)COCCC(=O)Nn1cnc2sc3c(c2c1=O)CCCC3 CC(C)COCC[*:1] O=C(Nn1cnc2sc3CCCCc3c2c1=O)[*:1]
CC(C)COCCC(=O)Nn1cnc2sc3c(c2c1=O)CCCC3 CC(C)C[*:1] O=C(CCO[*:1])Nn1cnc2sc3CCCCc3c2c1=O
Cc1ccc([C@H]2C[C@@H]2C(=O)NNC(=S)Nc2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NNC(=S)Nc1ccc(F)cc1)[C@H]1C[C@@H]1[*:1]
Cc1ccc([C@H]2C[C@@H]2C(=O)NNC(=S)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1C[C@@H]1C(=O)NNC(=S)N[*:1]
COC(=O)c1ccc(N2CCN(C(=O)Cc3ccsc3)CC2)cc1 c1cc(cs1)C[*:1] COC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)[*:1]
COC(=O)c1ccc(N2CCN(C(=O)Cc3ccsc3)CC2)cc1 COC(=O)[*:1] O=C(Cc1ccsc1)N1CCN(CC1)c1ccc(cc1)[*:1]
COC(=O)c1ccc(N2CCN(C(=O)Cc3ccsc3)CC2)cc1 c1cc(cs1)[*:1] COC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)C[*:1]
CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1 O=S(=O)(N1CCCC1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1ccc(o1)[*:1]
CC/C(=N/O)c1ccc(OCCSc2ccccc2)cc1 CCC(=NO)[*:1] c1ccc(cc1)SCCOc1ccc(cc1)[*:1]
CC/C(=N/O)c1ccc(OCCSc2ccccc2)cc1 c1ccc(cc1)[*:1] CC/C(=N/O)c1ccc(cc1)OCCS[*:1]
CC/C(=N/O)c1ccc(OCCSc2ccccc2)cc1 c1ccc(cc1)S[*:1] CC/C(=N/O)c1ccc(cc1)OCC[*:1]
Cc1cncc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 Clc1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cncc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1
CCCc1ncc(C(=O)Nc2cc(OC)ccc2F)s1 CCC[*:1] COc1ccc(F)c(c1)NC(=O)c1cnc(s1)[*:1]
COc1ccc(CN[C@H](C)c2nc3c(s2)CCCC3)c(C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(CN[C@H](C)c2nc3CCCCc3s2)c(c1)[*:1]
C/C=C/CS(=O)(=O)C[C@H](O)COc1ccc(Cl)cc1 C/C=C/C[*:1] O=S(=O)(C[C@H](O)COc1ccc(Cl)cc1)[*:1]
C/C=C/CS(=O)(=O)C[C@H](O)COc1ccc(Cl)cc1 CC=C[*:1] O=S(=O)(C[C@H](O)COc1ccc(Cl)cc1)C[*:1]
CCCCN(C(=O)c1ccc(Br)cc1N)C1CC1 CCCC[*:1] Nc1cc(Br)ccc1C(=O)N(C1CC1)[*:1]
CCCCN(C(=O)c1ccc(Br)cc1N)C1CC1 C1CC1[*:1] CCCCN(C(=O)c1ccc(Br)cc1N)[*:1]
CCCCN(C(=O)c1ccc(Br)cc1N)C1CC1 CCC[*:1] Nc1cc(Br)ccc1C(=O)N(C[*:1])C1CC1
CCN(C)c1cccc(NC(=O)c2cnn3cc(Br)cnc23)c1 CCN(C)[*:1] O=C(Nc1cccc(c1)[*:1])c1cnn2cc(Br)cnc12
COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)ccc1C COC(=O)[*:1] Cc1ccc(o1)[C@H](C)NS(=O)(=O)c1ccc(C)c(c1)[*:1]
COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)ccc1C Cc1ccc(o1)[*:1] COC(=O)c1cc(ccc1C)S(=O)(=O)N[C@@H](C)[*:1]
CC[NH2+][C@H](CCc1ccsc1)c1ncc[nH]1 c1cc(cs1)[*:1] CC[NH2+][C@H](CC[*:1])c1ncc[nH]1
CC[NH2+][C@H](CCc1ccsc1)c1ncc[nH]1 c1c[nH]c(n1)[*:1] CC[NH2+][C@H](CCc1ccsc1)[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](C(=O)Nc1cccc(c1)NS(=O)(=O)[*:1])n1cccn1
Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1F c1cnn(c1)[*:1] Cc1ccc(cc1F)S(=O)(=O)Nc1cccc(c1)NC(=O)[C@H](C)[*:1]
CCCS(=O)(=O)c1ccc(S(=O)(=O)[C@@H](C)CCCl)cc1 ClCC[*:1] CCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)[C@@H](C)[*:1]
CCCS(=O)(=O)c1ccc(S(=O)(=O)[C@@H](C)CCCl)cc1 CCCS(=O)(=O)[*:1] C[C@@H](CCCl)S(=O)(=O)c1ccc(cc1)[*:1]
CCCS(=O)(=O)c1ccc(S(=O)(=O)[C@@H](C)CCCl)cc1 CCC[*:1] C[C@@H](CCCl)S(=O)(=O)c1ccc(cc1)S(=O)(=O)[*:1]
O=C(Cn1ccnc1)N1N=C(c2cccs2)C[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(Cn1ccnc1)N1N=C(C[C@@H]1[*:1])c1cccs1
O=C(Cn1ccnc1)N1N=C(c2cccs2)C[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(Cn1ccnc1)N1N=C(C[C@H]1c1cccs1)[*:1]
O=C(Cn1ccnc1)N1N=C(c2cccs2)C[C@H]1c1cccs1 c1cn(cn1)C[*:1] O=C(N1N=C(C[C@H]1c1cccs1)c1cccs1)[*:1]
O=C(Cn1ccnc1)N1N=C(c2cccs2)C[C@H]1c1cccs1 c1cn(cn1)[*:1] O=C(C[*:1])N1N=C(C[C@H]1c1cccs1)c1cccs1
CCc1cccc2sc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc12 CCc1cccc2sc(nc12)[*:1] O=C1CCC(=O)N1c1ccc(cc1)C(=O)N(CC[NH+]1CCOCC1)[*:1]
CCc1cccc2sc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc12 O=C1CCC(=O)N1[*:1] CCc1cccc2sc(nc12)N(CC[NH+]1CCOCC1)C(=O)c1ccc(cc1)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 CC[C@@H](C)[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1cccc(c1)C(=O)N1CCCC1
CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 CC[C@@H](C)C[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(c1)C(=O)N1CCCC1)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
COc1ccc([C@H](CNC(=O)c2cccn2C)c2c[nH]c3ccccc23)cc1 COc1ccc(cc1)[*:1] Cn1cccc1C(=O)NC[C@H](c1c[nH]c2ccccc12)[*:1]
COc1ccc([C@H](CNC(=O)c2cccn2C)c2c[nH]c3ccccc23)cc1 Cn1cccc1C(=O)N[*:1] COc1ccc(cc1)[C@H](C[*:1])c1c[nH]c2ccccc12
COc1ccc([C@H](CNC(=O)c2cccn2C)c2c[nH]c3ccccc23)cc1 Cn1cccc1[*:1] COc1ccc(cc1)[C@H](CNC(=O)[*:1])c1c[nH]c2ccccc12
COc1ccc([C@H](CNC(=O)c2cccn2C)c2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)c1cccn1C)[*:1]
Cc1cc(C)n2nc(C(=O)NC[C@H](C)Oc3ccccc3Cl)nc2n1 Clc1ccccc1O[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)NC[C@H](C)[*:1]
Cc1cc(C)n2nc(C(=O)NC[C@H](C)Oc3ccccc3Cl)nc2n1 Clc1ccccc1[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)NC[C@H](C)O[*:1]
COc1ccc(C[C@@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)c(F)c2)cc1 COc1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)C[*:1])[C@H](O)c1ccc(F)c(F)c1
COc1ccc(C[C@@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] COc1ccc(cc1)C[C@@H](C)[NH2+][C@@H](C)[C@H](O)[*:1]
C[C@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C[C@@H]1O C1CCC(C1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Nc1ccc(O[*:1])c(F)c1
C[C@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C[C@@H]1O C1CCC(C1)O[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Nc1ccc(c(F)c1)[*:1]
Clc1ccc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)nc1 C1CN(CCO1)[*:1] Clc1ccc(nc1)NC[C@H]([C@@H]1CCOC1)[*:1]
Clc1ccc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)nc1 Clc1ccc(nc1)[*:1] C1CN(CCO1)[C@H](CN[*:1])[C@@H]1CCOC1
Clc1ccc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)nc1 C1C[C@H](CO1)[*:1] Clc1ccc(nc1)NC[C@H](N1CCOCC1)[*:1]
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)c1nc2ccc(F)cc2s1 O=[N+]([O-])[*:1] O=C(c1cc(cc(c1)[*:1])[N+](=O)[O-])N(C[C@H]1CCCO1)c1nc2ccc(F)cc2s1
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)c1nc2ccc(F)cc2s1 Fc1ccc2nc(sc2c1)[*:1] O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N(C[C@H]1CCCO1)[*:1]
C[C@H]1SC2=C3CCCCCC3=NC2=C1C(=O)NCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] C[C@H]1SC2=C3CCCCCC3=NC2=C1C(=O)N[*:1]
C[C@H]1SC2=C3CCCCCC3=NC2=C1C(=O)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H]1SC2=C3CCCCCC3=NC2=C1C(=O)NC[*:1]
O=C(NCc1nc2ccccc2[nH]1)c1ccccc1NCc1cccnc1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NC[*:1])c1ccccc1NCc1cccnc1
O=C(NCc1nc2ccccc2[nH]1)c1ccccc1NCc1cccnc1 c1cncc(c1)C[*:1] O=C(NCc1nc2ccccc2[nH]1)c1ccccc1N[*:1]
O=C(NCc1nc2ccccc2[nH]1)c1ccccc1NCc1cccnc1 c1cncc(c1)[*:1] O=C(NCc1nc2ccccc2[nH]1)c1ccccc1NC[*:1]
O=C(NCc1nc2ccccc2[nH]1)c1ccccc1NCc1cccnc1 c1cncc(c1)CN[*:1] O=C(NCc1nc2ccccc2[nH]1)c1ccccc1[*:1]
COc1ccccc1[C@H](CNC(=O)N[C@@H]1C[C@@H]1C)[NH+](C)C C[C@H]1C[C@H]1[*:1] COc1ccccc1[C@H](CNC(=O)N[*:1])[NH+](C)C
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@H](C)C(=O)[O-] Cc1csc(n1)[*:1] CCc1cc2c(=O)c(coc2cc1O[C@H](C)C(=O)[O-])[*:1]
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@H](C)C(=O)[O-] O=C([O-])[*:1] CCc1cc2c(=O)c(coc2cc1O[C@H](C)[*:1])-c1nc(C)cs1
C[C@H](CNC(=O)Cn1nc2n(c1=O)CCCCC2)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)Cn1nc2CCCCCn2c1=O)N[*:1]
C[C@H](CNC(=O)Cn1nc2n(c1=O)CCCCC2)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@H](CNC(=O)Cn1nc2CCCCCn2c1=O)[*:1]
C[C@H](CC(=O)[O-])NC(=O)Cc1cn2ccsc2n1 O=C([O-])[*:1] C[C@H](C[*:1])NC(=O)Cc1cn2ccsc2n1
C[C@H](CC(=O)[O-])NC(=O)Cc1cn2ccsc2n1 O=C([O-])C[*:1] C[C@H](NC(=O)Cc1cn2ccsc2n1)[*:1]
C[C@H](Sc1ccc(Cl)cc1)C(=O)O[C@H](C)Cn1cccn1 c1cnn(c1)C[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)O[C@H](C)[*:1]
C[C@H](Sc1ccc(Cl)cc1)C(=O)O[C@H](C)Cn1cccn1 Clc1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)O[C@H](C)Cn1cccn1
C[C@H](Sc1ccc(Cl)cc1)C(=O)O[C@H](C)Cn1cccn1 c1cnn(c1)[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)O[C@H](C)C[*:1]
O=C([O-])[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2)C1 O=C([O-])[*:1] O=S(=O)(c1cccc(Br)c1)N1CCC[C@@H](C1)[*:1]
Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)ccc1OCC(=O)[O-] Fc1cc(Cl)ccc1[*:1] Cc1cc(ccc1OCC(=O)[O-])S(=O)(=O)N[*:1]
Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)ccc1OCC(=O)[O-] O=C([O-])C[*:1] Cc1cc(ccc1O[*:1])S(=O)(=O)Nc1ccc(Cl)cc1F
Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)ccc1OCC(=O)[O-] O=C([O-])[*:1] Cc1cc(ccc1OC[*:1])S(=O)(=O)Nc1ccc(Cl)cc1F
Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)ccc1OCC(=O)[O-] O=C([O-])CO[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)Nc1ccc(Cl)cc1F
COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccncc2)cn1C c1cc(ccn1)[*:1] COC(=O)c1cc(cn1C)S(=O)(=O)N[C@H](C)[*:1]
COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccncc2)cn1C COC(=O)[*:1] C[C@@H](NS(=O)(=O)c1cc(n(C)c1)[*:1])c1ccncc1
C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CCOCC1 C1CC(CCO1)[*:1] C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[*:1]
CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)COC3)C12CCCC2 CCO[*:1] CN(C(=O)Nc1ccc2COCc2c1)[C@@H]1C[C@@H](C12CCCC2)[*:1]
COc1ccc([C@@H](O)CCS(C)(=O)=O)c2ccccc12 CS(=O)(=O)[*:1] COc1ccc(c2ccccc12)[C@@H](O)CC[*:1]
COc1ccc([C@@H](O)CCS(C)(=O)=O)c2ccccc12 CS(=O)(=O)C[*:1] COc1ccc(c2ccccc12)[C@@H](O)C[*:1]
COc1ccc([C@@H](O)CCS(C)(=O)=O)c2ccccc12 CS(=O)(=O)CC[*:1] COc1ccc(c2ccccc12)[C@@H](O)[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1cccc(Cl)c1F Fc1c(Cl)cccc1[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1cccc(Cl)c1F c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])C(=O)Nc1cccc(Cl)c1F
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc12 Fc1ccc(cc1)[*:1] Cc1nn(C[*:1])c2sc(cc12)C(=O)N[C@H](C)c1ccc(cc1)S(N)(=O)=O
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc12 NS(=O)(=O)[*:1] Cc1nn(Cc2ccc(F)cc2)c2sc(cc12)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc12 Fc1ccc(cc1)C[*:1] Cc1nn(c2sc(cc12)C(=O)N[C@H](C)c1ccc(cc1)S(N)(=O)=O)[*:1]
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc12 NS(=O)(=O)c1ccc(cc1)[*:1] Cc1nn(Cc2ccc(F)cc2)c2sc(cc12)C(=O)N[C@H](C)[*:1]
COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)cc3C)C2=O)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(C(=O)[C@H]32)[*:1])c(C)c1
COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)cc3C)C2=O)cc1Cl Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1Cl)N1C(=O)[C@@H]2[C@@H](N=NN2CC(=O)N[*:1])C1=O
CN(C)C(=O)c1ccc(CNC(=O)c2ccccc2S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)c1ccccc1[*:1]
CN(C)C(=O)c1ccc(CNC(=O)c2ccccc2S(C)(=O)=O)cc1 CN(C)C(=O)[*:1] CS(=O)(=O)c1ccccc1C(=O)NCc1ccc(cc1)[*:1]
C[C@@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] C[C@@H](OC(=O)c1ccc2NC(=O)CCc2c1)C(=O)N[*:1]
Cc1cc(C)n2cc(CSc3ccccc3)nc2n1 c1ccc(cc1)[*:1] Cc1cc(C)n2cc(CS[*:1])nc2n1
CC(C)CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2Cc2ccco2)cc1 c1coc(c1)[*:1] CC(C)CCOc1ccc(cc1)[C@@]1(C)Nc2ccccc2C(=O)N1C[*:1]
CC(C)CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2Cc2ccco2)cc1 CC(C)CC[*:1] C[C@@]1(Nc2ccccc2C(=O)N1Cc1ccco1)c1ccc(cc1)O[*:1]
CC(C)CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2Cc2ccco2)cc1 CC(C)CCO[*:1] C[C@@]1(Nc2ccccc2C(=O)N1Cc1ccco1)c1ccc(cc1)[*:1]
CC(C)CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2Cc2ccco2)cc1 c1coc(c1)C[*:1] CC(C)CCOc1ccc(cc1)[C@@]1(C)Nc2ccccc2C(=O)N1[*:1]
CC(C)CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2Cc2ccco2)cc1 CC(C)[*:1] C[C@@]1(Nc2ccccc2C(=O)N1Cc1ccco1)c1ccc(cc1)OCC[*:1]
CC(C)CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2Cc2ccco2)cc1 CC(C)C[*:1] C[C@@]1(Nc2ccccc2C(=O)N1Cc1ccco1)c1ccc(cc1)OC[*:1]
CN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1)S(C)(=O)=O O=C(N1CCCC1)[*:1] CN(c1ccc(cc1)C(=O)Nc1ccccc1[*:1])S(C)(=O)=O
CN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(cc1)[*:1]
CC(C)N(C(=O)c1ccc(Br)s1)C(C)C CC(C)[*:1] CC(C)N(C(=O)c1ccc(Br)s1)[*:1]
COC(=O)[C@H]1CCN(C(=O)[C@@H](C#N)c2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)[C@H]1CCN(C1)C(=O)[C@@H](C#N)[*:1]
COC(=O)[C@H]1CCN(C(=O)[C@@H](C#N)c2ccccc2)C1 COC(=O)[*:1] N#C[C@H](C(=O)N1CC[C@@H](C1)[*:1])c1ccccc1
COc1ccc(F)c(N[C@H](C)c2ccncc2)c1 c1cc(ccn1)[*:1] COc1ccc(F)c(c1)N[C@H](C)[*:1]
Cn1cc(NC(=O)[C@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
COc1ccccc1-n1c(N)c(C#N)c2c(c1=O)CO[C@H](C(C)C)C2 COc1ccccc1[*:1] CC(C)[C@@H]1Cc2c(C#N)c(N)n(c(=O)c2CO1)[*:1]
COc1ccccc1-n1c(N)c(C#N)c2c(c1=O)CO[C@H](C(C)C)C2 CC(C)[*:1] COc1ccccc1-n1c(N)c(C#N)c2C[C@@H](OCc2c1=O)[*:1]
NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc23)CC1 Clc1ccc(cc1)[*:1] NC(=O)[C@@H](N1CCN(CC1)c1cc[nH+]c2cc(Cl)ccc12)[*:1]
NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc23)CC1 NC(=O)[*:1] Clc1ccc(cc1)[C@@H](N1CCN(CC1)c1cc[nH+]c2cc(Cl)ccc12)[*:1]
O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F)N1CCc2ccccc21 Fc1ccccc1[*:1] O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1])N1CCc2ccccc21
O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1ccncc1 C1CC1[*:1] O=C(Nc1nc(cs1)-c1ccc2c(c1)CCCN2C(=O)[*:1])c1ccncc1
O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1ccncc1 O=C(N[*:1])c1ccncc1 O=C(C1CC1)N1CCCc2cc(ccc21)-c1csc(n1)[*:1]
O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1ccncc1 c1cc(ccn1)[*:1] O=C(C1CC1)N1CCCc2cc(ccc21)-c1csc(n1)NC(=O)[*:1]
N#Cc1ccccc1-c1ccc(CSc2nncn2C2CC2)cc1 N#Cc1ccccc1[*:1] c1cc(ccc1CSc1nncn1C1CC1)[*:1]
N#Cc1ccccc1-c1ccc(CSc2nncn2C2CC2)cc1 C1CC1[*:1] N#Cc1ccccc1-c1ccc(cc1)CSc1nncn1[*:1]
N#Cc1ccccc1-c1ccc(CSc2nncn2C2CC2)cc1 c1nnc(n1C1CC1)[*:1] N#Cc1ccccc1-c1ccc(cc1)CS[*:1]
O=C(C[NH+]1CCN(c2cccc[nH+]2)CC1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)c1cccc[nH+]1)N[*:1]
O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 c1ccc(cc1)CC[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1)[*:1]
O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(C[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1
O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CC[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1
O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
C[C@H](NC(=O)C1C[C@@H](C)O[C@H](C)C1)c1cccc(-n2cncn2)c1 c1ncn(n1)[*:1] C[C@H](NC(=O)C1C[C@@H](C)O[C@H](C)C1)c1cccc(c1)[*:1]
COC(=O)[C@H](Cl)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](Cl)[*:1]
N#C[C@@]1(NC2CC2)CCC[C@@H](OCC(F)(F)F)C1 C1CC1N[*:1] N#C[C@]1(CCC[C@H](C1)OCC(F)(F)F)[*:1]
N#C[C@@]1(NC2CC2)CCC[C@@H](OCC(F)(F)F)C1 FC(F)(F)[*:1] N#C[C@]1(CCC[C@H](C1)OC[*:1])NC1CC1
N#C[C@@]1(NC2CC2)CCC[C@@H](OCC(F)(F)F)C1 FC(F)(F)C[*:1] N#C[C@]1(CCC[C@H](C1)O[*:1])NC1CC1
N#C[C@@]1(NC2CC2)CCC[C@@H](OCC(F)(F)F)C1 C1CC1[*:1] N#C[C@]1(CCC[C@H](C1)OCC(F)(F)F)N[*:1]
N#C[C@@]1(NC2CC2)CCC[C@@H](OCC(F)(F)F)C1 FC(F)(F)CO[*:1] N#C[C@]1(CCC[C@@H](C1)[*:1])NC1CC1
Cc1csc(CS(=O)(=O)Cc2ccc(F)cc2)n1 Cc1csc(n1)[*:1] O=S(=O)(Cc1ccc(F)cc1)C[*:1]
COCc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2noc(C)n2)o1 Cc1nc(no1)[*:1] COCc1ccc(o1)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
COCc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2noc(C)n2)o1 COCc1ccc(o1)[*:1] Cc1nc(no1)[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
COCc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2noc(C)n2)o1 Clc1ccc(cc1)[*:1] COCc1ccc(o1)C(=O)N[C@H](c1noc(C)n1)[*:1]
COCc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2noc(C)n2)o1 COC[*:1] Cc1nc(no1)[C@H](NC(=O)c1ccc(o1)[*:1])c1ccc(Cl)cc1
Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CCN(Cc1cnc(-c3ccccc3)s1)C2 c1ccc(cc1)[*:1] Cn1nc(C(=O)N2CCc3ccccc3C2)c2CN(CCc21)Cc1cnc(s1)[*:1]
Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CCN(Cc1cnc(-c3ccccc3)s1)C2 c1ccc(cc1)-c1ncc(s1)[*:1] Cn1nc(C(=O)N2CCc3ccccc3C2)c2CN(CCc21)C[*:1]
CC(C)OCCS(=O)(=O)N1CCN(C(C)(C)C[NH3+])CC1 CC(C)O[*:1] CC(C)(C[NH3+])N1CCN(CC1)S(=O)(=O)CC[*:1]
CC(C)OCCS(=O)(=O)N1CCN(C(C)(C)C[NH3+])CC1 CC(C)[*:1] CC(C)(C[NH3+])N1CCN(CC1)S(=O)(=O)CCO[*:1]
CC(C)OCCS(=O)(=O)N1CCN(C(C)(C)C[NH3+])CC1 CC(C)OCC[*:1] CC(C)(C[NH3+])N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)OCCS(=O)(=O)N1CCN(C(C)(C)C[NH3+])CC1 CC(C)(C[NH3+])[*:1] CC(C)OCCS(=O)(=O)N1CCN(CC1)[*:1]
CC(C)OCCS(=O)(=O)N1CCN(C(C)(C)C[NH3+])CC1 CC(C)OC[*:1] CC(C)(C[NH3+])N1CCN(CC1)S(=O)(=O)C[*:1]
Cc1ccc(C)c(N2CCN(C[C@H](O)c3ccc4c(c3)CCO4)CC2)c1 Cc1ccc(C)c(c1)[*:1] O[C@@H](CN1CCN(CC1)[*:1])c1ccc2OCCc2c1
C[C@@H](NC(=O)c1cccc[n+]1[O-])c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cccc[n+]1[O-])c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1cccc[n+]1[O-])c1ccc(-c2ccc(F)cc2)cc1 [O-][n+]1ccccc1[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[NH2+][C@H]1C[C@H](Oc2c(C)cc(Br)cc2[N+](=O)[O-])C1(C)C O=[N+]([O-])[*:1] C[NH2+][C@H]1C[C@H](Oc2c(C)cc(Br)cc2[*:1])C1(C)C
NC(=O)c1cncc(-c2ccc(F)cc2)c1 NC(=O)[*:1] Fc1ccc(cc1)-c1cncc(c1)[*:1]
COc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(F)c3)CC2=O)c(OC)c1 Cc1ccc(cc1F)[*:1] COc1ccc(c(c1)OC)N1C[C@@H](CC1=O)C(=O)N[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@](C)(N)C(F)(F)F FC(F)(F)[*:1] CN(Cc1ccc2OCOc2c1)C(=O)[C@@](C)(N)[*:1]
O=C(Nc1nnc(-c2ccccc2)s1)N1CCO[C@@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(Nc1nnc(s1)-c1ccccc1)N1CCO[C@@H](C1)[*:1]
O=C(Nc1nnc(-c2ccccc2)s1)N1CCO[C@@H](c2cccc(F)c2)C1 c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)[*:1])N1CCO[C@H](C1)c1cccc(F)c1
CCC[C@@H]([NH3+])c1ccn(CCOC(F)(F)F)c1 CCC[*:1] [NH3+][C@@H](c1ccn(c1)CCOC(F)(F)F)[*:1]
CCC[C@@H]([NH3+])c1ccn(CCOC(F)(F)F)c1 FC(F)(F)[*:1] CCC[C@@H]([NH3+])c1ccn(c1)CCO[*:1]
CCC[C@@H]([NH3+])c1ccn(CCOC(F)(F)F)c1 FC(F)(F)O[*:1] CCC[C@@H]([NH3+])c1ccn(c1)CC[*:1]
Cc1c(NC(=O)c2ccc(I)cc2)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(I)cc1
C[C@@H]1CCC[C@@H](NC(=O)NCCCCn2cnnc2)[C@@H]1C c1nncn1[*:1] C[C@@H]1CCC[C@@H](NC(=O)NCCCC[*:1])[C@@H]1C
C[C@@H]1CCC[C@@H](NC(=O)NCCCCn2cnnc2)[C@@H]1C c1nncn1C[*:1] C[C@@H]1CCC[C@@H](NC(=O)NCCC[*:1])[C@@H]1C
C[C@@H]1CCC[C@@H](NC(=O)NCCCCn2cnnc2)[C@@H]1C c1nncn1CC[*:1] C[C@@H]1CCC[C@@H](NC(=O)NCC[*:1])[C@@H]1C
CCCn1cc(S(=O)(=O)[N-]c2cccc(C)c2)c2cccnc21 Cc1cccc(c1)[*:1] CCCn1cc(c2cccnc21)S(=O)(=O)[N-][*:1]
CCCn1cc(S(=O)(=O)[N-]c2cccc(C)c2)c2cccnc21 CCC[*:1] Cc1cccc(c1)[N-]S(=O)(=O)c1cn(c2ncccc12)[*:1]
O=C(NCc1ccc[nH]1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 c1c[nH]c(c1)C[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NC[C@@H]1CCCO1
O=C(NCc1ccc[nH]1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 c1c[nH]c(c1)[*:1] O=C(NC[*:1])c1ccc(cc1)S(=O)(=O)NC[C@@H]1CCCO1
CC(C)C[C@@](C)([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)C(N)=O Fc1ccc(cc1)[*:1] CC(C)C[C@@](C)([NH2+]CC(=O)N1CCN(CC1)[*:1])C(N)=O
CC(C)C[C@@](C)([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)C(N)=O CC(C)C[*:1] C[C@@]([NH2+]CC(=O)N1CCN(CC1)c1ccc(F)cc1)(C(N)=O)[*:1]
CC(C)C[C@@](C)([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)C(N)=O CC(C)[*:1] C[C@](C[*:1])([NH2+]CC(=O)N1CCN(CC1)c1ccc(F)cc1)C(N)=O
CC(C)C[C@@](C)([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)C(N)=O NC(=O)[*:1] CC(C)C[C@@](C)([NH2+]CC(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1]
O=C(Cn1c(=O)[nH]c2ccccc21)OCc1nccn1CC(F)(F)F FC(F)(F)C[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)OCc1nccn1[*:1]
O=C(Cn1c(=O)[nH]c2ccccc21)OCc1nccn1CC(F)(F)F FC(F)(F)[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)OCc1nccn1C[*:1]
N#Cc1cccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 N#Cc1cccc(c1)[*:1] O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[*:1]
CC(C)(C)C(=O)NNC(=O)C(O)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)NNC(=O)C(O)(c1ccccc1)[*:1]
CC(C)(C)C(=O)NNC(=O)C(O)(c1ccccc1)c1ccccc1 CC(C)(C)[*:1] O=C(NNC(=O)[*:1])C(O)(c1ccccc1)c1ccccc1
COCc1cccc(C(=O)O[C@H](C)Cn2cccn2)c1 c1cnn(c1)C[*:1] COCc1cccc(c1)C(=O)O[C@H](C)[*:1]
COCc1cccc(C(=O)O[C@H](C)Cn2cccn2)c1 COC[*:1] C[C@H](Cn1cccn1)OC(=O)c1cccc(c1)[*:1]
COCc1cccc(C(=O)O[C@H](C)Cn2cccn2)c1 c1cnn(c1)[*:1] COCc1cccc(c1)C(=O)O[C@H](C)C[*:1]
CCCn1c([O-])c(C(=O)NCCN2CC[NH2+]CC2)c(=O)c2ccccc21 CCC[*:1] O=C(NCCN1CC[NH2+]CC1)c1c([O-])n(c2ccccc2c1=O)[*:1]
Cc1ccc2c(CC(=O)N(C)Cc3nccn3Cc3ccccc3)c[nH]c2c1 c1ccc(cc1)[*:1] Cc1ccc2c(c[nH]c2c1)CC(=O)N(C)Cc1nccn1C[*:1]
Cc1ccc2c(CC(=O)N(C)Cc3nccn3Cc3ccccc3)c[nH]c2c1 c1ccc(cc1)C[*:1] Cc1ccc2c(c[nH]c2c1)CC(=O)N(C)Cc1nccn1[*:1]
Cc1ccc([N+](=O)[O-])c(NCC2CC([O-])C2)c1 [O-]C1CC(C1)[*:1] Cc1ccc(c(c1)NC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NCC2CC([O-])C2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)NCC1CC([O-])C1)[*:1]
COc1cccc(CNc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1 COc1cccc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)NC[*:1]
O=C(Nc1nnc(-c2ccc(Br)o2)o1)c1ccc(F)c(F)c1 Brc1ccc(o1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(F)c(F)c1
COc1ccc(C(=O)Nc2nnc(SCC(=O)N3CCc4ccccc43)s2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)N1CCc2ccccc21
C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]CC[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]CC[C@@H](C)[*:1]
CC[C@@H](C)N(CCOC)C(=O)c1nnn[n-]1 CC[C@@H](C)[*:1] COCCN(C(=O)c1nnn[n-]1)[*:1]
CC[C@@H](C)N(CCOC)C(=O)c1nnn[n-]1 COCC[*:1] CC[C@@H](C)N(C(=O)c1nnn[n-]1)[*:1]
CC[C@@H](C)N(CCOC)C(=O)c1nnn[n-]1 COC[*:1] CC[C@@H](C)N(C[*:1])C(=O)c1nnn[n-]1
Nc1nc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)nc2ccccc12 Fc1ccc(cc1F)[*:1] Nc1nc(CN2CCO[C@H](C2)[*:1])nc2ccccc12
O=S(=O)(CC1CCC1)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] O=S(=O)(CC1CCC1)[N-]c1ccc(cc1)OC[*:1]
O=S(=O)(CC1CCC1)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 C1CC(C1)[*:1] O=S(=O)(C[*:1])[N-]c1ccc(cc1)OC[C@@H]1CCCO1
O=S(=O)(CC1CCC1)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] O=S(=O)(CC1CCC1)[N-]c1ccc(cc1)O[*:1]
O=S(=O)(CC1CCC1)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 C1CC(C1)C[*:1] O=S(=O)([N-]c1ccc(cc1)OC[C@@H]1CCCO1)[*:1]
O=S(=O)(CC1CCC1)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)CO[*:1] O=S(=O)(CC1CCC1)[N-]c1ccc(cc1)[*:1]
COc1ccc(OC)c(CNC(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)c1 COc1ccc(OC)c(c1)[*:1] CC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)NC[*:1])c2C1
COc1ccc(OC)c(CNC(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CNC(=O)c1c2CC(C)(C)CC(=O)c2cn(c1=O)[*:1]
COc1ccc(OC)c(CNC(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)c1 COc1ccc(OC)c(c1)C[*:1] CC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)N[*:1])c2C1
CCOc1ccc(C2=C[C@@H](C3=NN4C=Nc5ccccc5[C@H]4N3)N=N2)cc1 CCO[*:1] C1=Nc2ccccc2[C@H]2NC(=NN12)[C@@H]1C=C(N=N1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=C[C@@H](C3=NN4C=Nc5ccccc5[C@H]4N3)N=N2)cc1 CCOc1ccc(cc1)[*:1] C1=Nc2ccccc2[C@H]2NC(=NN12)[C@@H]1C=C(N=N1)[*:1]
O=C(Nc1ccon1)c1sc2cccc(Cl)c2c1Cl c1cc(no1)[*:1] O=C(N[*:1])c1sc2cccc(Cl)c2c1Cl
C/C=C(\C)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 COc1ccccc1[*:1] C/C=C(\C)C(=O)NC1CCN(CC1)C(=O)C[*:1]
C/C=C(\C)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 C/C=C(\C)C(=O)N[*:1] COc1ccccc1CC(=O)N1CCC(CC1)[*:1]
C/C=C(\C)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 CC=C(C)[*:1] COc1ccccc1CC(=O)N1CCC(CC1)NC(=O)[*:1]
O=C1C(=O)N(CC[NH+]2CCOCC2)[C@@H](c2ccco2)/C1=C(\O)c1ccc(F)cc1 c1coc(c1)[*:1] O=C1C(=O)N(CC[NH+]2CCOCC2)[C@@H](/C1=C(\O)c1ccc(F)cc1)[*:1]
O=C1C(=O)N(CC[NH+]2CCOCC2)[C@@H](c2ccco2)/C1=C(\O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C(=O)N(CC[NH+]2CCOCC2)[C@H](/C1=C(\O)[*:1])c1ccco1
Cc1cc(C)cc(NC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)c1 Cc1cc(C)cc(c1)[*:1] O=C(C[C@@H]1CSc2nc3CCCCc3c(=O)n21)N[*:1]
COc1cccc(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)C[*:1])c1ccc2ccccc2c1
Cc1cccc(OCC[NH2+]C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)OCC[NH2+][*:1]
O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1ccncc1F Fc1cnccc1[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
Nc1nc(Cn2c(-c3cnccn3)noc2=O)nc2ccccc12 c1cnc(cn1)[*:1] Nc1nc(Cn2c(noc2=O)[*:1])nc2ccccc12
CCOCCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1 CCOC[*:1] CN(C[*:1])C(=O)Cn1ccc(n1)[N+](=O)[O-]
CCOCCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1 CCO[*:1] CN(CC[*:1])C(=O)Cn1ccc(n1)[N+](=O)[O-]
CCOCCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1 O=[N+]([O-])[*:1] CCOCCN(C)C(=O)Cn1ccc(n1)[*:1]
CCOCCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1 CCOCC[*:1] CN(C(=O)Cn1ccc(n1)[N+](=O)[O-])[*:1]
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(Cl)cc4s3)cc2)C[C@@H](C)O1 Clc1ccc2nc(sc2c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)NN[*:1]
O=C(CN1CCOCC1)N[C@@H](c1ccc(F)cc1)c1cccs1 C1CN(CCO1)[*:1] O=C(C[*:1])N[C@@H](c1ccc(F)cc1)c1cccs1
O=C(CN1CCOCC1)N[C@@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] O=C(CN1CCOCC1)N[C@@H](c1ccc(F)cc1)[*:1]
O=C(CN1CCOCC1)N[C@@H](c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(CN1CCOCC1)N[C@@H](c1cccs1)[*:1]
O=C(CN1CCOCC1)N[C@@H](c1ccc(F)cc1)c1cccs1 C1CN(CCO1)C[*:1] O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)[*:1]
N#Cc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 FC(F)(F)C[*:1] N#Cc1cccc(c1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
N#Cc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 FC(F)(F)[*:1] N#Cc1cccc(c1)C(=O)N[C@H](C[*:1])c1ccc(F)cc1
N#Cc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] N#Cc1cccc(c1)C(=O)N[C@H](CC(F)(F)F)[*:1]
N#Cc1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 N#Cc1cccc(c1)[*:1] O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
Cc1nn2c(N(C)CCO)c3c(nc2c1-c1ccccc1)CCC3 OCC[*:1] Cc1nn2c(c3CCCc3nc2c1-c1ccccc1)N(C)[*:1]
Cc1nn2c(N(C)CCO)c3c(nc2c1-c1ccccc1)CCC3 c1ccc(cc1)[*:1] Cc1nn2c(c3CCCc3nc2c1[*:1])N(C)CCO
Cc1nn2c(N(C)CCO)c3c(nc2c1-c1ccccc1)CCC3 CN(CCO)[*:1] Cc1nn2c(c3CCCc3nc2c1-c1ccccc1)[*:1]
O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 C1CO[C@@H](C1)C[*:1] O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 c1ccc2c(c[nH]c2c1)[*:1] O=C1N[C@@H](C[*:1])C(=O)N1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1
O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 C1CO[C@@H](C1)[*:1] O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 c1ccc2c(c[nH]c2c1)C[*:1] O=C1N[C@@H](C(=O)N1CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl NS(=O)(=O)[*:1] Cc1ccc(cc1Cl)NC(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl Cc1ccc(cc1Cl)[*:1] C[C@@H](c1ccc(cc1)S(N)(=O)=O)N(C)C(=O)N[*:1]
N#CCc1ccc(Cc2ccc(CC#N)cc2)cc1 N#CC[*:1] N#CCc1ccc(cc1)Cc1ccc(cc1)[*:1]
COc1ccccc1/C([O-])=N/S(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] COc1ccccc1/C([O-])=N/S(=O)(=O)[*:1]
Cc1[nH+]ccn1C1(C(=O)[O-])CCN(c2nccc3occc23)CC1 O=C([O-])[*:1] Cc1[nH+]ccn1C1(CCN(CC1)c1nccc2occc12)[*:1]
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] C[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)N1CCOC[C@@H]1[*:1]
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCOC[C@H]1C1CC1 FC(F)(F)[*:1] C[C@@H](Cc1ccc(cc1)[*:1])C(=O)N1CCOC[C@H]1C1CC1
C[C@H]1CCN(C(=O)c2scnc2C2CC2)[C@H]1c1cccc(F)c1 C1CC1[*:1] C[C@H]1CCN(C(=O)c2scnc2[*:1])[C@H]1c1cccc(F)c1
C[C@H]1CCN(C(=O)c2scnc2C2CC2)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H]1CCN(C(=O)c2scnc2C2CC2)[C@@H]1[*:1]
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C[C@@H]1CCCO1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](c1ccc(cc1)S(C)(=O)=O)N(C[C@@H]1CCCO1)C(=O)[*:1]
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C[C@@H]1CCCO1)C(=O)c1ccccc1 CS(=O)(=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C[C@@H]1CCCO1)C(=O)c1ccccc1
Cc1noc(C)c1S(=O)(=O)NCCn1nc(-n2ccnc2)ccc1=O Cc1noc(C)c1[*:1] O=c1ccc(nn1CCNS(=O)(=O)[*:1])-n1ccnc1
Cc1noc(C)c1S(=O)(=O)NCCn1nc(-n2ccnc2)ccc1=O c1cn(cn1)[*:1] Cc1noc(C)c1S(=O)(=O)NCCn1nc(ccc1=O)[*:1]
COc1ccc(CNC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1OC FC(F)O[*:1] COc1ccc(cc1OC)CNC(=O)N[C@@H]1CCCc2cc(ccc21)[*:1]
COc1ccc(CNC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1OC FC(F)[*:1] COc1ccc(cc1OC)CNC(=O)N[C@@H]1CCCc2cc(ccc21)O[*:1]
COc1ccc(-c2nc3cc(N4C[C@@H](C(=O)[O-])CC4=O)ccc3o2)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1nc2cc(ccc2o1)N1C[C@@H](CC1=O)[*:1]
COc1ccc(-c2nc3cc(N4C[C@@H](C(=O)[O-])CC4=O)ccc3o2)cc1 COc1ccc(cc1)[*:1] O=C([O-])[C@H]1CC(=O)N(C1)c1ccc2oc(nc2c1)[*:1]
Cc1cc2c(c(NC(=O)c3ccccc3C(F)(F)F)c1)OCC(=O)NC2 FC(F)(F)[*:1] Cc1cc2CNC(=O)COc2c(c1)NC(=O)c1ccccc1[*:1]
CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(-n2cnc3ccccc32)cc1 CC(C)(C)NC(=O)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)-n1cnc2ccccc21
CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(-n2cnc3ccccc32)cc1 CC(C)(C)NC(=O)C[*:1] CCN(C(=O)c1ccc(cc1)-n1cnc2ccccc21)[*:1]
CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(-n2cnc3ccccc32)cc1 c1ccc2c(c1)ncn2[*:1] CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(cc1)[*:1]
CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(-n2cnc3ccccc32)cc1 CC(C)(C)[*:1] CCN(CC(=O)N[*:1])C(=O)c1ccc(cc1)-n1cnc2ccccc21
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc([N+](=O)[O-])s1 O=[N+]([O-])c1ccc(s1)[*:1] N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc([N+](=O)[O-])s1 Clc1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@@H]1c1ccc(s1)[N+](=O)[O-])[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(s1)[*:1]
O=C(CN1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C1CC[C@H](N1)C(=O)N1CCN(CC1)CC(=O)N[*:1]
CCC(CC)c1cc(CNC(=O)Nc2ccc3c(c2)C(=O)CCC3)on1 CCC(CC)[*:1] O=C(NCc1cc(no1)[*:1])Nc1ccc2CCCC(=O)c2c1
O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1
O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)n2CC[*:1]
O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(N[*:1])c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1
O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)n2C[*:1]
O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)n2[*:1]
O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1
CCOC(=O)N1CCN(c2cc(N3CCc4ccccc4C3)c(F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCOC(=O)N1CCN(CC1)c1cc(c(F)cc1[*:1])N1CCc2ccccc2C1
CCOC(=O)N1CCN(c2cc(N3CCc4ccccc4C3)c(F)cc2[N+](=O)[O-])CC1 c1ccc2CN(CCc2c1)[*:1] CCOC(=O)N1CCN(CC1)c1cc(c(F)cc1[N+](=O)[O-])[*:1]
Cc1ccc(CSCC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CSCC(=O)[*:1]
COCc1ccccc1NC(=O)N1CCC(Cc2ccccc2)CC1 COC[*:1] O=C(Nc1ccccc1[*:1])N1CCC(CC1)Cc1ccccc1
COCc1ccccc1NC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COCc1ccccc1NC(=O)N1CCC(CC1)C[*:1]
COCc1ccccc1NC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] COCc1ccccc1NC(=O)N1CCC(CC1)[*:1]
Cc1c(NC(=O)C(=O)N(C)CCc2ccccc2)cccc1C(N)=O c1ccc(cc1)[*:1] Cc1c(cccc1C(N)=O)NC(=O)C(=O)N(C)CC[*:1]
Cc1c(NC(=O)C(=O)N(C)CCc2ccccc2)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)N(C)CCc1ccccc1
Cc1c(NC(=O)C(=O)N(C)CCc2ccccc2)cccc1C(N)=O c1ccc(cc1)CC[*:1] Cc1c(cccc1C(N)=O)NC(=O)C(=O)N(C)[*:1]
Cc1c(NC(=O)C(=O)N(C)CCc2ccccc2)cccc1C(N)=O c1ccc(cc1)C[*:1] Cc1c(cccc1C(N)=O)NC(=O)C(=O)N(C)C[*:1]
CO[C@H](C)c1nc(CN(C)Cc2ncccc2C(F)(F)F)cs1 FC(F)(F)[*:1] CO[C@H](C)c1nc(cs1)CN(C)Cc1ncccc1[*:1]
CO[C@H](C)c1nc(CN(C)Cc2ncccc2C(F)(F)F)cs1 CO[C@H](C)[*:1] CN(Cc1csc(n1)[*:1])Cc1ncccc1C(F)(F)F
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](Cc1ccccc1)[*:1]
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](C[*:1])C(=O)[O-]
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)[O-] c1ccc(cc1)C[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](C(=O)[O-])[*:1]
C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cccnc1Cl Clc1ncccc1[*:1] C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)[*:1]
C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cccnc1Cl O=C(N1CCCCC1)[*:1] C[C@H](N[C@H](Cc1ccccc1)[*:1])c1cccnc1Cl
C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cccnc1Cl c1ccc(cc1)[*:1] C[C@H](N[C@H](C[*:1])C(=O)N1CCCCC1)c1cccnc1Cl
C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cccnc1Cl c1ccc(cc1)C[*:1] C[C@H](N[C@H](C(=O)N1CCCCC1)[*:1])c1cccnc1Cl
CCc1ccc(N2C[C@H](C(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1ncc(Cl)cc1Cl
CCc1ccc(N2C[C@H](C(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)CC2=O)cc1 Clc1cnc(c(Cl)c1)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
C[NH2+][C@H](c1ccn(CCC(C)C)c1)C(C)C CC(C)[*:1] C[NH2+][C@H](c1ccn(c1)CCC(C)C)[*:1]
C[NH2+][C@H](c1ccn(CCC(C)C)c1)C(C)C CC(C)C[*:1] C[NH2+][C@H](c1ccn(c1)C[*:1])C(C)C
C[NH2+][C@H](c1ccn(CCC(C)C)c1)C(C)C CC(C)CC[*:1] C[NH2+][C@H](c1ccn(c1)[*:1])C(C)C
C[NH2+][C@H](c1ccn(CCC(C)C)c1)C(C)C CC(C)[*:1] C[NH2+][C@H](c1ccn(c1)CC[*:1])C(C)C
CCC(CC)C(=O)N1CCC(NC(=O)N[C@H](C)c2cc(C)oc2C)CC1 Cc1cc(c(C)o1)[*:1] CCC(CC)C(=O)N1CCC(CC1)NC(=O)N[C@H](C)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)N[C@H](C)c2cc(C)oc2C)CC1 CCC(CC)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)NC1CCN(CC1)C(=O)[*:1]
C[C@](O)(CNC(=O)c1noc2c1CCCC2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)c1noc2CCCCc12)[*:1]
COc1cccc(C[S@](=O)Cc2csc(-c3ccsc3)n2)c1 c1cc(cs1)[*:1] COc1cccc(c1)C[S@](=O)Cc1csc(n1)[*:1]
Cc1nccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3C)C2)n1 Cc1nccc(n1)[*:1] Cc1[nH+]ccn1[C@@H]1CCCN(C1)C(=O)[*:1]
CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCc2cc(Cl)ccc21 CCC[*:1] O=C([C@@H]1CCCN1S(=O)(=O)[*:1])N1CCCc2cc(Cl)ccc21
O=C(Nc1ccc2c(c1)COC2)N[C@@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2COCc2c1)N[C@@H](CO)[*:1]
CCN(Cc1ccoc1)C(=O)c1c(C)cccc1C c1cc(co1)C[*:1] CCN(C(=O)c1c(C)cccc1C)[*:1]
CCN(Cc1ccoc1)C(=O)c1c(C)cccc1C c1cc(co1)[*:1] CCN(C[*:1])C(=O)c1c(C)cccc1C
COc1ccccc1[C@H](C)CC(=O)Nc1cc(C2CCOCC2)[nH]n1 COc1ccccc1[*:1] C[C@H](CC(=O)Nc1cc([nH]n1)C1CCOCC1)[*:1]
COc1ccccc1[C@H](C)CC(=O)Nc1cc(C2CCOCC2)[nH]n1 C1CC(CCO1)[*:1] COc1ccccc1[C@H](C)CC(=O)Nc1cc([nH]n1)[*:1]
CCOc1ccc2nc(NC(=O)CN3CCN(c4ccc5c(c4)OCCO5)C3=O)sc2c1 CCO[*:1] O=C(CN1CCN(C1=O)c1ccc2OCCOc2c1)Nc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(NC(=O)CN3CCN(c4ccc5c(c4)OCCO5)C3=O)sc2c1 c1cc2OCCOc2cc1[*:1] CCOc1ccc2nc(NC(=O)CN3CCN(C3=O)[*:1])sc2c1
Cc1ccc(C(CO)(CO)CCOc2ccccc2)cc1 Cc1ccc(cc1)[*:1] OCC(CO)(CCOc1ccccc1)[*:1]
Cc1ccc(C(CO)(CO)CCOc2ccccc2)cc1 c1ccc(cc1)O[*:1] Cc1ccc(cc1)C(CO)(CO)CC[*:1]
Cc1ccc(C(CO)(CO)CCOc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(CO)(CO)CCO[*:1]
CC(=O)Nc1ccc2c(C(=O)[O-])c(C)c(O)nc2n1 O=C([O-])[*:1] CC(=O)Nc1ccc2c(c(C)c(O)nc2n1)[*:1]
CC(=O)Nc1ccc2c(C(=O)[O-])c(C)c(O)nc2n1 CC(=O)N[*:1] Cc1c(O)nc2nc(ccc2c1C(=O)[O-])[*:1]
CCn1nc(C)c(NC(=O)NCC(C)(C)c2cccc(C)c2)c1C Cc1cccc(c1)[*:1] CCn1nc(C)c(NC(=O)NCC(C)(C)[*:1])c1C
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C#N)cc1 CCOC(=O)[*:1] CC1OC(N)=C(C#N)[C@@H](C=1[*:1])c1ccc(C#N)cc1
C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(C)(C)C C[C@H](C(C)(C)C)[*:1] O=C(N[*:1])c1ccc2OCOc2c1
C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)c1ccc2OCOc2c1)[*:1]
O=C1C=Cc2cccc3c([O-])c(Cc4ccccc4)c(O)c1c23 c1ccc(cc1)[*:1] O=C1C=Cc2cccc3c([O-])c(C[*:1])c(O)c1c23
O=C1C=Cc2cccc3c([O-])c(Cc4ccccc4)c(O)c1c23 c1ccc(cc1)C[*:1] O=C1C=Cc2cccc3c([O-])c(c(O)c1c23)[*:1]
CC(C)N1CC[C@H](NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)C1=O FC(F)(F)[*:1] CC(C)N1CC[C@H](NC(=O)N(C)Cc2nc(cs2)[*:1])C1=O
CC(C)N1CC[C@H](NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)C1=O CC(C)[*:1] CN(Cc1nc(cs1)C(F)(F)F)C(=O)N[C@H]1CCN(C1=O)[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1ccc(C(=O)[O-])cc1 Clc1ccc(cc1)[*:1] O=C(CS[*:1])Nc1ccc(cc1)C(=O)[O-]
O=C(CSc1ccc(Cl)cc1)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] O=C(CSc1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
Cn1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])c1ccc(cc1)[*:1] Cn1cc(CN2CC[C@H](C2)C[NH+]2CCCC2)c(n1)[*:1]
Cn1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cn1cc(CN2CC[C@H](C2)C[NH+]2CCCC2)c(n1)-c1ccc(cc1)[*:1]
COc1cccc([C@@H]2N=C(Nc3ccc(C)cc3)N=C3N=C(C)C=C([O-])N32)c1 COc1cccc(c1)[*:1] CC1C=C([O-])N2C(N=1)=NC(=N[C@H]2[*:1])Nc1ccc(C)cc1
COc1cccc([C@@H]2N=C(Nc3ccc(C)cc3)N=C3N=C(C)C=C([O-])N32)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1N=C(N=C2N=C(C)C=C([O-])N21)N[*:1]
Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1
Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1)[*:1]
Cc1nn(C(C)C)c(C)c1[C@H](C)[NH2+]C[C@H](O)C1CCOCC1 CC(C)[*:1] Cc1nn(c(C)c1[C@H](C)[NH2+]C[C@H](O)C1CCOCC1)[*:1]
Cc1nn(C(C)C)c(C)c1[C@H](C)[NH2+]C[C@H](O)C1CCOCC1 C1CC(CCO1)[*:1] Cc1nn(c(C)c1[C@H](C)[NH2+]C[C@H](O)[*:1])C(C)C
CCc1cccc(CC)c1NC(=O)CN1CCOC[C@@H]1C1CC1 C1CC1[*:1] CCc1cccc(CC)c1NC(=O)CN1CCOC[C@H]1[*:1]
O=C(NCCC(=O)N1CCCC1)c1cc2c(s1)-c1ccccc1OC2 O=C(C[*:1])N1CCCC1 O=C(NC[*:1])c1cc2COc3ccccc3-c2s1
O=C(NCCC(=O)N1CCCC1)c1cc2c(s1)-c1ccccc1OC2 O=C(N1CCCC1)[*:1] O=C(NCC[*:1])c1cc2COc3ccccc3-c2s1
Cc1ccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)N1CCCC[C@H]1C
Cc1ccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1[*:1]
C[C@H](CNC(=O)C1CCN(c2cnc3ccccc3n2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)C1CCN(CC1)c1cnc2ccccc2n1)[*:1]
C[C@H](CNC(=O)C1CCN(c2cnc3ccccc3n2)CC1)c1ccccc1 C[C@H](C[*:1])c1ccccc1 O=C(N[*:1])C1CCN(CC1)c1cnc2ccccc2n1
C[C@H](CNC(=O)C1CCN(c2cnc3ccccc3n2)CC1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1cnc2ccccc2n1
c1ccn2c(CN(C[C@@H]3CCCO3)[C@@H]3CCSC3)cnc2c1 C1C[C@H](CS1)[*:1] c1ccn2c(cnc2c1)CN(C[C@@H]1CCCO1)[*:1]
c1ccn2c(CN(C[C@@H]3CCCO3)[C@@H]3CCSC3)cnc2c1 C1CO[C@@H](C1)[*:1] c1ccn2c(cnc2c1)CN(C[*:1])[C@@H]1CCSC1
c1ccn2c(CN(C[C@@H]3CCCO3)[C@@H]3CCSC3)cnc2c1 C1CO[C@@H](C1)C[*:1] c1ccn2c(cnc2c1)CN([C@@H]1CCSC1)[*:1]
O=C(CN1CCCOC1=O)NCCc1nc(C(F)(F)F)cs1 O=C1OCCCN1[*:1] O=C(C[*:1])NCCc1nc(cs1)C(F)(F)F
O=C(CN1CCCOC1=O)NCCc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] O=C(CN1CCCOC1=O)NCCc1nc(cs1)[*:1]
COc1ccc(NC(=O)N2CCC(Cn3cnc4cc(C)c(C)cc43)CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cc2ncn(CC3CCN(CC3)C(=O)N[*:1])c2cc1C
COc1ccc(NC(=O)CSc2ccc(-c3ccncc3)o2)c(OC)c1 c1cc(ccn1)[*:1] COc1ccc(NC(=O)CSc2ccc(o2)[*:1])c(c1)OC
COC(=O)[C@H](C)NC(=O)c1cc(Br)cn1C(C)C COC(=O)[C@H](C)[*:1] CC(C)n1cc(Br)cc1C(=O)N[*:1]
COC(=O)[C@H](C)NC(=O)c1cc(Br)cn1C(C)C COC(=O)[*:1] CC(C)n1cc(Br)cc1C(=O)N[C@@H](C)[*:1]
COC(=O)[C@H](C)NC(=O)c1cc(Br)cn1C(C)C CC(C)[*:1] COC(=O)[C@H](C)NC(=O)c1cc(Br)cn1[*:1]
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)/C=C(/C)c3ccccc3OC)cc2)CC1 COc1ccccc1[*:1] CC[NH+]1CCN(CC1)C(=O)Cc1ccc(cc1)NC(=O)C=C(C)[*:1]
Cc1c([C@H]2C[C@H](C(=O)Nc3ccc([C@@H](C)O)cc3)N(C)S(=O)(=O)N2)cnn1C C[C@@H](O)c1ccc(cc1)[*:1] Cc1c(cnn1C)[C@H]1C[C@H](C(=O)N[*:1])N(C)S(=O)(=O)N1
Cc1c([C@H]2C[C@H](C(=O)Nc3ccc([C@@H](C)O)cc3)N(C)S(=O)(=O)N2)cnn1C C[C@@H](O)[*:1] Cc1c(cnn1C)[C@H]1C[C@H](C(=O)Nc2ccc(cc2)[*:1])N(C)S(=O)(=O)N1
Cc1c([C@H]2C[C@H](C(=O)Nc3ccc([C@@H](C)O)cc3)N(C)S(=O)(=O)N2)cnn1C Cc1c(cnn1C)[*:1] C[C@@H](O)c1ccc(cc1)NC(=O)[C@H]1C[C@@H](NS(=O)(=O)N1C)[*:1]
C[C@H](C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1)N1C(=O)c2ccccc2C1=O NS(=O)(=O)[*:1] C[C@H](C(=O)Nc1nc2ccc(cc2s1)[*:1])N1C(=O)c2ccccc2C1=O
CC(C)Oc1ccc(C(=O)[C@@H]2C[NH+]3CCN2CC3)cc1 CC(C)O[*:1] O=C(c1ccc(cc1)[*:1])[C@@H]1C[NH+]2CCN1CC2
CC(C)Oc1ccc(C(=O)[C@@H]2C[NH+]3CCN2CC3)cc1 CC(C)[*:1] O=C(c1ccc(cc1)O[*:1])[C@@H]1C[NH+]2CCN1CC2
COC[C@@H](NC(=O)N[C@H](C)Cc1cc(C)[nH]n1)c1ccc(F)c(F)c1 COC[*:1] Cc1cc(C[C@@H](C)NC(=O)N[C@@H](c2ccc(F)c(F)c2)[*:1])n[nH]1
COC[C@@H](NC(=O)N[C@H](C)Cc1cc(C)[nH]n1)c1ccc(F)c(F)c1 Cc1cc(n[nH]1)[*:1] COC[C@@H](NC(=O)N[C@H](C)C[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)N[C@H](C)Cc1cc(C)[nH]n1)c1ccc(F)c(F)c1 Cc1cc(C[*:1])n[nH]1 COC[C@@H](NC(=O)N[C@H](C)[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)N[C@H](C)Cc1cc(C)[nH]n1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)N[C@H](C)Cc1cc(C)[nH]n1)[*:1]
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nnc(CC(C)C)s2)c1 CC(C)C[*:1] Cc1ccc(c(c1)O[C@H](C)C(=O)Nc1nnc(s1)[*:1])C(C)C
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nnc(CC(C)C)s2)c1 CC(C)[*:1] Cc1ccc(c(c1)O[C@H](C)C(=O)Nc1nnc(C[*:1])s1)C(C)C
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nnc(CC(C)C)s2)c1 CC(C)[*:1] Cc1ccc(c(c1)O[C@H](C)C(=O)Nc1nnc(CC(C)C)s1)[*:1]
Nc1ccc(SCC(=O)NC(=O)c2ccccc2Cl)cn1 Clc1ccccc1[*:1] Nc1ccc(cn1)SCC(=O)NC(=O)[*:1]
Nc1ccc(SCC(=O)NC(=O)c2ccccc2Cl)cn1 Nc1ccc(cn1)[*:1] O=C(CS[*:1])NC(=O)c1ccccc1Cl
Cc1cc(C)c(C(=O)NCCC(=O)OC(C)C)c(=O)[nH]1 CC(C)OC(=O)[*:1] Cc1cc(C)c(C(=O)NCC[*:1])c(=O)[nH]1
Cc1cc(C)c(C(=O)NCCC(=O)OC(C)C)c(=O)[nH]1 CC(C)[*:1] Cc1cc(C)c(C(=O)NCCC(=O)O[*:1])c(=O)[nH]1
COC(=O)C1(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)CCCCC1 COC(=O)[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)NC1(CCCCC1)[*:1]
CCCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2C(=O)Nc1ccc(C(F)(F)F)cc1 CCC[*:1] O=C1C[C@@H](C(=O)Nc2ccc(cc2)C(F)(F)F)[C@H]2C(=O)N=C(N=C2N1)S[*:1]
CCCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2C(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)[*:1]
CC(C)[C@@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)C(=O)[O-] CC(C)[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])C1=Cc2cc(Br)ccc2OC1
CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)Cn3nc(C)cc3C)cc2n1 Cc1cc(C)n(C[*:1])n1 CCc1cc(n2nc(cc2n1)[C@H]1CCCCN1C(=O)[*:1])C(F)(F)F
CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)Cn3nc(C)cc3C)cc2n1 FC(F)(F)[*:1] CCc1cc(n2nc(cc2n1)[C@H]1CCCCN1C(=O)Cn1nc(C)cc1C)[*:1]
CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)Cn3nc(C)cc3C)cc2n1 Cc1cc(C)n(n1)[*:1] CCc1cc(n2nc(cc2n1)[C@H]1CCCCN1C(=O)C[*:1])C(F)(F)F
COc1ncccc1CNC(=O)c1cc(C2CC2)on1 C1CC1[*:1] COc1ncccc1CNC(=O)c1cc(on1)[*:1]
Cc1cnc([C@H](C)N[C@@H](C)Cn2c[nH+]c(C)c2C)s1 Cc1cnc(s1)[*:1] Cc1[nH+]cn(C[C@H](C)N[C@@H](C)[*:1])c1C
COc1ccc(O)c(C(=O)c2cnn(C(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)c2)c1 COc1ccc(O)c(c1)[*:1] O=C(c1ccc2c(=O)n3CCCc3nc2c1)n1cc(cn1)C(=O)[*:1]
CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4ccccn4)CCO3)nc3ccccc23)CC1 c1ccc(nc1)[*:1] CN1CCN(CC1)C(=O)c1cc(nc2ccccc12)[C@@H]1CN(CCO1)C(=O)[*:1]
CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4ccccn4)CCO3)nc3ccccc23)CC1 CN1CCN(CC1)C(=O)[*:1] O=C(c1ccccn1)N1CCO[C@@H](C1)c1cc(c2ccccc2n1)[*:1]
COCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] O=C([O-])[*:1] COCCC(=O)N1Cc2ccccc2C[C@@H]1[*:1]
COCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] COC[*:1] O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[*:1]
COCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] COCC[*:1] O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
COc1ccc(NC(=O)[C@@H]2CC(=O)N(/N=C/c3c[nH]c4ccccc34)C(=N)S2)cc1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(N=C[*:1])C(=N)S1
COc1ccc(NC(=O)[C@@H]2CC(=O)N(/N=C/c3c[nH]c4ccccc34)C(=N)S2)cc1 COc1ccc(cc1)[*:1] N=C1S[C@@H](CC(=O)N1/N=C/c1c[nH]c2ccccc12)C(=O)N[*:1]
COCc1cc(C(=O)Nc2cccc(CN3CCOCC3)c2)no1 C1CN(CCO1)C[*:1] COCc1cc(no1)C(=O)Nc1cccc(c1)[*:1]
COCc1cc(C(=O)Nc2cccc(CN3CCOCC3)c2)no1 COCc1cc(no1)[*:1] O=C(Nc1cccc(c1)CN1CCOCC1)[*:1]
COCc1cc(C(=O)Nc2cccc(CN3CCOCC3)c2)no1 COC[*:1] O=C(Nc1cccc(c1)CN1CCOCC1)c1cc(on1)[*:1]
COCc1cc(C(=O)Nc2cccc(CN3CCOCC3)c2)no1 C1CN(CCO1)[*:1] COCc1cc(no1)C(=O)Nc1cccc(c1)C[*:1]
CNC(=O)C1=C2[C@H](N=N1)NC(=O)C[C@@H]2c1coc(C(C)C)n1 CNC(=O)[*:1] CC(C)c1nc(co1)[C@H]1CC(=O)N[C@H]2N=NC(=C21)[*:1]
CNC(=O)C1=C2[C@H](N=N1)NC(=O)C[C@@H]2c1coc(C(C)C)n1 CC(C)[*:1] CNC(=O)C1N=N[C@@H]2NC(=O)C[C@@H](C=12)c1coc(n1)[*:1]
COc1c(F)cc(NC(=O)c2cnc(Oc3ccccc3)cn2)cc1F c1ccc(cc1)O[*:1] COc1c(F)cc(cc1F)NC(=O)c1cnc(cn1)[*:1]
COc1c(F)cc(NC(=O)c2cnc(Oc3ccccc3)cn2)cc1F c1ccc(cc1)[*:1] COc1c(F)cc(cc1F)NC(=O)c1cnc(cn1)O[*:1]
Fc1ccccc1CNc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] Fc1ccccc1CNc1ccc(cc1)[*:1]
CC(=O)Nc1cccc(N)c1Cl CC(=O)N[*:1] Nc1cccc(c1Cl)[*:1]
O=C(NCCCF)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] O=C(NCCCF)Nc1c[nH]nc1[*:1]
O=C(NCCCF)Nc1c[nH]nc1-c1ccccn1 FCC[*:1] O=C(NC[*:1])Nc1c[nH]nc1-c1ccccn1
O=C(NCCCF)Nc1c[nH]nc1-c1ccccn1 FCCC[*:1] O=C(Nc1c[nH]nc1-c1ccccn1)N[*:1]
COc1ccc(C(=O)CSc2nc(-c3ccc(F)cc3)cs2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)CSc1nc(cs1)[*:1]
COc1ccc(C(=O)CSc2nc(-c3ccc(F)cc3)cs2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nc(cs1)-c1ccc(F)cc1)[*:1]
O=C(Cn1cnc2cc3c(cc21)OCCO3)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(Cn1cnc2cc3OCCOc3cc21)NC[*:1]
O=C(Cn1cnc2cc3c(cc21)OCCO3)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1cnc2cc3OCCOc3cc21)NCC[*:1]
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[*:1]
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cl)nc1 N#Cc1ccc(cc1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)NCc1ccc(Cl)nc1
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cl)nc1 Clc1ccc(cn1)C[*:1] C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[*:1]
NC1=NC(=O)[C@H](CC(=O)N2CCC[C@H]2CCc2ccccc2)S1 c1ccc(cc1)[*:1] NC1=NC(=O)[C@H](CC(=O)N2CCC[C@H]2CC[*:1])S1
NC1=NC(=O)[C@H](CC(=O)N2CCC[C@H]2CCc2ccccc2)S1 c1ccc(cc1)C[*:1] NC1=NC(=O)[C@H](CC(=O)N2CCC[C@H]2C[*:1])S1
C[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O O=C(c1ccc(F)cc1)[*:1] C[C@@H](C(=O)OC[*:1])N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O
C[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O Fc1ccc(cc1)[*:1] C[C@@H](C(=O)OCC(=O)[*:1])N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O
CCCN(C(=O)[C@@H]1CC[NH2+][C@H]1C)C1CC1 C1CC1[*:1] CCCN(C(=O)[C@@H]1CC[NH2+][C@H]1C)[*:1]
CCCN(C(=O)[C@@H]1CC[NH2+][C@H]1C)C1CC1 CCC[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C1CC1)[*:1]
O=C(Cc1ccc(F)c(F)c1)Nc1ncc(Br)s1 Brc1cnc(s1)[*:1] O=C(Cc1ccc(F)c(F)c1)N[*:1]
CCC[NH2+][C@H](c1ccc(Cl)s1)[C@@H](C)OC CO[C@H](C)[*:1] CCC[NH2+][C@H](c1ccc(Cl)s1)[*:1]
CCC[NH2+][C@H](c1ccc(Cl)s1)[C@@H](C)OC CCC[*:1] CO[C@H](C)[C@H]([NH2+][*:1])c1ccc(Cl)s1
C[NH2+][C@@H](C)c1ccccc1OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[NH2+][C@@H](C)c1ccccc1OC[*:1]
CN(C(=O)CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] CN(C(=O)CS[C@@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1[*:1])[C@@H]1CCS(=O)(=O)C1
CN(C(=O)CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CN(C(=O)CS[C@@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1C1CC1)[*:1]
COc1ccc2c(c1)=[NH+][C@H](SCC(=O)Nc1nnc(C)s1)[NH+]=2 Cc1nnc(s1)[*:1] COc1ccc2=[NH+][C@H]([NH+]=c2c1)SCC(=O)N[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)CN1C(=O)c2ccccc2C1=O Cc1ccccc1O[*:1] C[C@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)CN1C(=O)c2ccccc2C1=O Cc1ccccc1[*:1] C[C@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)O[*:1]
Cc1ccsc1CN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 Cc1ccsc1[*:1] CN(C[*:1])C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1
Cc1ccsc1CN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] Cc1ccsc1CN(C)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccsc1CN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 Cc1ccsc1C[*:1] CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[*:1]
Cc1ccsc1CN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 Cc1ccsc1CN(C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
c1cnc(N2CCC[C@H](CNc3ccc4nccn4n3)C2)nc1 c1cnc(nc1)[*:1] c1cn2nc(ccc2n1)NC[C@H]1CCCN(C1)[*:1]
CC(C)(C#N)NC(=O)CCN1C(=O)c2ccccc2C1=O CC(C)(C#N)[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)N[*:1]
CCCc1cc(NC(=O)C(C)(C)Oc2ccc(F)cc2)n(C)n1 Fc1ccc(cc1)[*:1] CCCc1cc(NC(=O)C(C)(C)O[*:1])n(C)n1
CCCc1cc(NC(=O)C(C)(C)Oc2ccc(F)cc2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)C(C)(C)Oc1ccc(F)cc1)[*:1]
[O-]c1nc(C[NH+]2CCN(c3ccccc3)CC2)nc2c(Br)cc(Br)cc12 c1ccc(cc1)[*:1] [O-]c1nc(C[NH+]2CCN(CC2)[*:1])nc2c(Br)cc(Br)cc12
CC(C)c1noc(CCNCc2ccccc2N2C[C@@H](C)O[C@H](C)C2)n1 CC(C)c1noc(n1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1CNCC[*:1]
CC(C)c1noc(CCNCc2ccccc2N2C[C@@H](C)O[C@H](C)C2)n1 CC(C)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1CNCCc1nc(no1)[*:1]
CCOc1ccc2nc(NC(=O)CSc3nnnn3-c3ccc(C)cc3)sc2c1 CCO[*:1] Cc1ccc(cc1)-n1nnnc1SCC(=O)Nc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(NC(=O)CSc3nnnn3-c3ccc(C)cc3)sc2c1 Cc1ccc(cc1)[*:1] CCOc1ccc2nc(NC(=O)CSc3nnnn3[*:1])sc2c1
C[C@H](O)CCN(C)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 C1CN(CCO1)CC[*:1] C[C@H](O)CCN(C)C(=O)Nc1ccc2c(ccn2[*:1])c1
C[C@H](O)CCN(C)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 C1CN(CCO1)[*:1] C[C@H](O)CCN(C)C(=O)Nc1ccc2c(ccn2CC[*:1])c1
C[C@H](O)CCN(C)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 C1CN(CCO1)C[*:1] C[C@H](O)CCN(C)C(=O)Nc1ccc2c(ccn2C[*:1])c1
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@@H]2CCO3)cc1Cl COc1ccc(cc1Cl)[*:1] O=C1c2cc(ccc2OCC[C@H]2CCCCN12)NS(=O)(=O)[*:1]
Cc1nc(N2CCN(C(=O)c3cccc(O)c3)CC2)nc(C)c1CC(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[*:1])N1CCN(CC1)C(=O)c1cccc(O)c1
Cc1nc(N2CCN(C(=O)c3cccc(O)c3)CC2)nc(C)c1CC(C)C CC(C)C[*:1] Cc1nc(nc(C)c1[*:1])N1CCN(CC1)C(=O)c1cccc(O)c1
Cc1nc(N2CCN(C(=O)c3cccc(O)c3)CC2)nc(C)c1CC(C)C Oc1cccc(c1)[*:1] Cc1nc(nc(C)c1CC(C)C)N1CCN(CC1)C(=O)[*:1]
CCOC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O CCOC(=O)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1cccc2ccccc12
CCOC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O CCOC(=O)C[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])c1cccc2ccccc12
C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1cn(nn1)[*:1]
C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1cn(-c2ccccc2)nn1 Fc1ccc(cc1)C[*:1] C[C@@H](C[*:1])[NH2+]Cc1cn(nn1)-c1ccccc1
C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1cn(-c2ccccc2)nn1 Fc1ccc(cc1)[*:1] C[C@@H](CC[*:1])[NH2+]Cc1cn(nn1)-c1ccccc1
CC(C)Cn1cc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)cn1 CC(C)[*:1] CC(C)(C)c1noc(n1)-c1ccccc1C(=O)Nc1cnn(c1)C[*:1]
CC(C)Cn1cc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)cn1 CC(C)(C)c1noc(n1)[*:1] CC(C)Cn1cc(cn1)NC(=O)c1ccccc1[*:1]
CC(C)Cn1cc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)cn1 CC(C)(C)[*:1] CC(C)Cn1cc(cn1)NC(=O)c1ccccc1-c1nc(no1)[*:1]
CC(C)Cn1cc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)cn1 CC(C)Cn1cc(cn1)[*:1] CC(C)(C)c1noc(n1)-c1ccccc1C(=O)N[*:1]
CC(C)Cn1cc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)cn1 CC(C)C[*:1] CC(C)(C)c1noc(n1)-c1ccccc1C(=O)Nc1cnn(c1)[*:1]
O=C([O-])C[S@](=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] O=C([O-])[*:1] O=[N+]([O-])c1cc(cc(c1[S@@](=O)C[*:1])[N+](=O)[O-])C(F)(F)F
O=C([O-])C[S@](=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] O=C([O-])C[S@](=O)c1c(cc(cc1[N+](=O)[O-])[*:1])[N+](=O)[O-]
O=C([O-])C[S@](=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C([O-])C[S@](=O)c1c(cc(cc1[*:1])C(F)(F)F)[N+](=O)[O-]
COc1ccccc1CNC(=O)CCC(=O)Nc1nccs1 c1csc(n1)[*:1] COc1ccccc1CNC(=O)CCC(=O)N[*:1]
O=C(NC1CCCCC1)c1cccc2ccoc12 C1CCC(CC1)[*:1] O=C(N[*:1])c1cccc2ccoc12
Cc1cnc(-c2nc(NCCc3c(C)noc3C)ncc2-c2onc(C)c2C)cn1 Cc1noc(C)c1[*:1] Cc1cnc(cn1)-c1nc(ncc1-c1onc(C)c1C)NCC[*:1]
Cc1cnc(-c2nc(NCCc3c(C)noc3C)ncc2-c2onc(C)c2C)cn1 Cc1cnc(cn1)[*:1] Cc1noc(-c2cnc(nc2[*:1])NCCc2c(C)noc2C)c1C
Cc1cnc(-c2nc(NCCc3c(C)noc3C)ncc2-c2onc(C)c2C)cn1 Cc1noc(C)c1CC[*:1] Cc1cnc(cn1)-c1nc(ncc1-c1onc(C)c1C)N[*:1]
Cc1cnc(-c2nc(NCCc3c(C)noc3C)ncc2-c2onc(C)c2C)cn1 Cc1noc(C)c1CCN[*:1] Cc1cnc(cn1)-c1nc(ncc1-c1onc(C)c1C)[*:1]
Cc1cnc(-c2nc(NCCc3c(C)noc3C)ncc2-c2onc(C)c2C)cn1 Cc1noc(C)c1C[*:1] Cc1cnc(cn1)-c1nc(ncc1-c1onc(C)c1C)NC[*:1]
Cc1cnc(-c2nc(NCCc3c(C)noc3C)ncc2-c2onc(C)c2C)cn1 Cc1noc(c1C)[*:1] Cc1cnc(cn1)-c1nc(ncc1[*:1])NCCc1c(C)noc1C
Cc1nn(CC(=O)Nc2nc3c(s2)CN(C)CC3)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)Nc2nc3CCN(C)Cc3s2)c(C)c1[*:1]
O=C(Nc1cc(-n2cnnn2)ccc1F)N1C[C@H]2CCCC[C@@H]2C1 c1nnnn1[*:1] O=C(Nc1cc(ccc1F)[*:1])N1C[C@H]2CCCC[C@@H]2C1
CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[*:1]
CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 CC(=O)N[*:1] O=C(c1ccccc1)N1CCCc2cc(ccc21)S(=O)(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(c1ccccc1)N1CCCc2cc(ccc21)S(=O)(=O)N[*:1]
C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccc(cc1)-c1ccccc1
C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1)c1ccc(cc1)[*:1]
CCCn1c(S[C@H](C(=O)N(C)c2ccccc2)C(C)C)n[nH]c1=O c1ccc(cc1)[*:1] CCCn1c(n[nH]c1=O)S[C@H](C(=O)N(C)[*:1])C(C)C
CCCn1c(S[C@H](C(=O)N(C)c2ccccc2)C(C)C)n[nH]c1=O CC(C)[*:1] CCCn1c(n[nH]c1=O)S[C@H](C(=O)N(C)c1ccccc1)[*:1]
CCCn1c(S[C@H](C(=O)N(C)c2ccccc2)C(C)C)n[nH]c1=O CCC[*:1] CC(C)[C@H](Sc1n[nH]c(=O)n1[*:1])C(=O)N(C)c1ccccc1
N#Cc1cc(Cl)ccc1NCCCOCC(F)(F)F FC(F)(F)C[*:1] N#Cc1cc(Cl)ccc1NCCCO[*:1]
N#Cc1cc(Cl)ccc1NCCCOCC(F)(F)F FC(F)(F)CO[*:1] N#Cc1cc(Cl)ccc1NCCC[*:1]
N#Cc1cc(Cl)ccc1NCCCOCC(F)(F)F FC(F)(F)[*:1] N#Cc1cc(Cl)ccc1NCCCOC[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccccc2)n1 COc1ccccc1[*:1] Cc1cc(nn1-c1ccccc1)C(=O)N(C)[C@H](C)C[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccccc2)n1 COc1ccccc1C[*:1] Cc1cc(nn1-c1ccccc1)C(=O)N(C)[C@H](C)[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(C)n(n1)[*:1]
C[C@@H]([NH2+]Cc1cscn1)c1cc2ccccc2o1 c1nc(cs1)[*:1] C[C@@H]([NH2+]C[*:1])c1cc2ccccc2o1
C[C@@H]([NH2+]Cc1cscn1)c1cc2ccccc2o1 c1nc(cs1)C[*:1] C[C@@H]([NH2+][*:1])c1cc2ccccc2o1
CCOC(=O)C1=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H](c2ccncc2)C(C#N)=C1N c1cc(ccn1)[*:1] CCOC(=O)C1C(N)=C(C#N)[C@H](n2c=1s/c(=C/c1ccncc1)c2=O)[*:1]
CCOC(=O)C1=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H](c2ccncc2)C(C#N)=C1N c1cc(ccn1)[*:1] CCOC(=O)C1C(N)=C(C#N)[C@H](c2ccncc2)n2c=1sc(=C[*:1])c2=O
CCOC(=O)C1=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H](c2ccncc2)C(C#N)=C1N CCOC(=O)[*:1] N#CC1=C(N)C(=c2s/c(=C/c3ccncc3)c(=O)n2[C@H]1c1ccncc1)[*:1]
C[C@@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc2cn[nH]c2c1 c1cc2cn[nH]c2cc1[*:1] C[C@@H](Oc1ccc(cc1)Oc1ccccc1)C(=O)N[*:1]
C[C@@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc2cn[nH]c2c1 c1ccc(cc1)O[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)Nc1ccc2cn[nH]c2c1
C[C@@H](Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc2cn[nH]c2c1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(cc1)O[*:1])C(=O)Nc1ccc2cn[nH]c2c1
COC[C@@](C)(C#N)NC(=O)c1ccc(Br)cc1Br COC[*:1] C[C@@](C#N)(NC(=O)c1ccc(Br)cc1Br)[*:1]
Cc1nc(C)c(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(=O)[nH]1 C1CCN(C1)[*:1] Cc1nc(C)c(CC(=O)NCc2cc[nH+]c(c2)[*:1])c(=O)[nH]1
CC(C)Cc1nc(CS(=O)(=O)Cc2cccc(Cl)c2)no1 CC(C)C[*:1] O=S(=O)(Cc1cccc(Cl)c1)Cc1noc(n1)[*:1]
CC(C)Cc1nc(CS(=O)(=O)Cc2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] CC(C)Cc1nc(CS(=O)(=O)C[*:1])no1
CC(C)Cc1nc(CS(=O)(=O)Cc2cccc(Cl)c2)no1 CC(C)[*:1] O=S(=O)(Cc1cccc(Cl)c1)Cc1noc(C[*:1])n1
C[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 O=C1CCCN1[*:1] C[C@@H]1C[C@H]1C(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(C)(C)c1ncc(NC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cn1 CC(C)(C)[*:1] O=C(CCCOc1ccc2NC(=O)CCc2c1)Nc1cnc(nc1)[*:1]
CCCCCCC(=O)Nc1ccc2c(c1)OCCO2 CCCC[*:1] O=C(CC[*:1])Nc1ccc2OCCOc2c1
CCCCCCC(=O)Nc1ccc2c(c1)OCCO2 CCCCC[*:1] O=C(C[*:1])Nc1ccc2OCCOc2c1
CCCCCCC(=O)Nc1ccc2c(c1)OCCO2 CCC[*:1] O=C(CCC[*:1])Nc1ccc2OCCOc2c1
CCCCCCC(=O)Nc1ccc2c(c1)OCCO2 CCCCCC[*:1] O=C(Nc1ccc2OCCOc2c1)[*:1]
CC(=O)Nc1ccc(C)c(S(=O)(=O)N2C[C@H](C)c3ccccc32)c1 CC(=O)N[*:1] Cc1ccc(cc1S(=O)(=O)N1C[C@H](C)c2ccccc21)[*:1]
C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NC[*:1]
C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N[*:1]
CC(=O)c1ccccc1NC(=O)CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 CC(=O)[*:1] O=C(CN1CCN(CC1)c1nc2ccc(cc2s1)[N+](=O)[O-])Nc1ccccc1[*:1]
CC(=O)c1ccccc1NC(=O)CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 O=[N+]([O-])[*:1] CC(=O)c1ccccc1NC(=O)CN1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
CC(=O)c1ccccc1NC(=O)CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 CC(=O)c1ccccc1[*:1] O=C(CN1CCN(CC1)c1nc2ccc(cc2s1)[N+](=O)[O-])N[*:1]
Nc1c(Nc2cc(Cl)ccc2Cl)ncnc1N1CCCC1 C1CCN(C1)[*:1] Nc1c(ncnc1[*:1])Nc1cc(Cl)ccc1Cl
CC[NH+](CC)CC(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1 Fc1ccc(cc1)[*:1] CC[NH+](CC)CC(=O)N1CCc2nc(nc(O[*:1])c2C1)-c1ccncc1
CC[NH+](CC)CC(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1 Fc1ccc(cc1)O[*:1] CC[NH+](CC)CC(=O)N1CCc2nc(nc(c2C1)[*:1])-c1ccncc1
CC[NH+](CC)CC(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1 c1cc(ccn1)[*:1] CC[NH+](CC)CC(=O)N1CCc2nc(nc(Oc3ccc(F)cc3)c2C1)[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)N1C[C@@H](C)OCC1(C)C c1ccc(cc1)[*:1] Cc1nc(C[*:1])sc1C(=O)N1C[C@@H](C)OCC1(C)C
Cc1nc(Cc2ccccc2)sc1C(=O)N1C[C@@H](C)OCC1(C)C c1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)N1C[C@@H](C)OCC1(C)C)[*:1]
O=C1CC[C@@H](C(=O)N2CCc3n[nH]cc3C2)CN1CCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C1CC[C@H](CN1C[*:1])C(=O)N1CCc2n[nH]cc2C1
O=C1CC[C@@H](C(=O)N2CCc3n[nH]cc3C2)CN1CCCc1ccccc1 c1ccc(cc1)CCC[*:1] O=C([C@@H]1CCC(=O)N(C1)[*:1])N1CCc2n[nH]cc2C1
O=C1CC[C@@H](C(=O)N2CCc3n[nH]cc3C2)CN1CCCc1ccccc1 c1ccc(cc1)C[*:1] O=C1CC[C@H](CN1CC[*:1])C(=O)N1CCc2n[nH]cc2C1
O=C1CC[C@@H](C(=O)N2CCc3n[nH]cc3C2)CN1CCCc1ccccc1 c1ccc(cc1)[*:1] O=C1CC[C@H](CN1CCC[*:1])C(=O)N1CCc2n[nH]cc2C1
CCn1c(C2CCN(C(=O)c3ccccc3Br)CC2)nn(CCOC)c1=O COCC[*:1] CCn1c(nn(c1=O)[*:1])C1CCN(CC1)C(=O)c1ccccc1Br
CCn1c(C2CCN(C(=O)c3ccccc3Br)CC2)nn(CCOC)c1=O COC[*:1] CCn1c(nn(C[*:1])c1=O)C1CCN(CC1)C(=O)c1ccccc1Br
CCn1c(C2CCN(C(=O)c3ccccc3Br)CC2)nn(CCOC)c1=O Brc1ccccc1[*:1] CCn1c(nn(CCOC)c1=O)C1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)NCc2nccc3ccccc23)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(NCc1nccc2ccccc12)[*:1]
Cn1nccc1CSc1nnc(-c2ccccc2)c2ccccc12 c1ccc(cc1)[*:1] Cn1nccc1CSc1nnc(c2ccccc12)[*:1]
Cn1nccc1CSc1nnc(-c2ccccc2)c2ccccc12 Cn1nccc1CS[*:1] c1ccc(cc1)-c1nnc(c2ccccc12)[*:1]
Cn1nccc1CSc1nnc(-c2ccccc2)c2ccccc12 Cn1nccc1[*:1] c1ccc(cc1)-c1nnc(SC[*:1])c2ccccc12
Cn1nccc1CSc1nnc(-c2ccccc2)c2ccccc12 Cn1nccc1C[*:1] c1ccc(cc1)-c1nnc(S[*:1])c2ccccc12
O=C(Cc1c(F)cccc1Cl)N(Cc1cccs1)c1ccc2c(c1)OCCO2 Fc1cccc(Cl)c1[*:1] O=C(C[*:1])N(Cc1cccs1)c1ccc2OCCOc2c1
O=C(Cc1c(F)cccc1Cl)N(Cc1cccs1)c1ccc2c(c1)OCCO2 c1csc(c1)[*:1] O=C(Cc1c(F)cccc1Cl)N(C[*:1])c1ccc2OCCOc2c1
O=C(Cc1c(F)cccc1Cl)N(Cc1cccs1)c1ccc2c(c1)OCCO2 Fc1cccc(Cl)c1C[*:1] O=C(N(Cc1cccs1)c1ccc2OCCOc2c1)[*:1]
O=C(Cc1c(F)cccc1Cl)N(Cc1cccs1)c1ccc2c(c1)OCCO2 c1csc(c1)C[*:1] O=C(Cc1c(F)cccc1Cl)N(c1ccc2OCCOc2c1)[*:1]
Cc1cccc([C@@H](O)C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 Brc1cnn(c1)[*:1] Cc1cccc(c1)[C@@H](O)C[NH2+][C@@H](C)C[*:1]
COc1cccc(C(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)c1 C1CCC(CC1)[*:1] COc1cccc(c1)C(=O)NCCC1CCN(CC1)C(=O)N[*:1]
COc1cccc(C(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)c1 COc1cccc(c1)[*:1] O=C(NC1CCCCC1)N1CCC(CCNC(=O)[*:1])CC1
CCn1nc(C)c2nc(SCC(=O)[O-])n(CC3CC3)c21 O=C([O-])CS[*:1] CCn1nc(C)c2nc(n(CC3CC3)c21)[*:1]
CCn1nc(C)c2nc(SCC(=O)[O-])n(CC3CC3)c21 O=C([O-])C[*:1] CCn1nc(C)c2nc(S[*:1])n(CC3CC3)c21
CCn1nc(C)c2nc(SCC(=O)[O-])n(CC3CC3)c21 C1CC1[*:1] CCn1nc(C)c2nc(SCC(=O)[O-])n(C[*:1])c21
CCn1nc(C)c2nc(SCC(=O)[O-])n(CC3CC3)c21 C1CC1C[*:1] CCn1nc(C)c2nc(SCC(=O)[O-])n(c21)[*:1]
CCn1nc(C)c2nc(SCC(=O)[O-])n(CC3CC3)c21 O=C([O-])[*:1] CCn1nc(C)c2nc(SC[*:1])n(CC3CC3)c21
CCCn1cc(C(=O)NCc2ccc(OC)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 CCC[*:1] COc1ccc(cc1)CNC(=O)c1cn(cc2-c1nn(-c1ccccc1)c2=O)[*:1]
CCCn1cc(C(=O)NCc2ccc(OC)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 COc1ccc(cc1)[*:1] CCCn1cc(C(=O)NC[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
CCCn1cc(C(=O)NCc2ccc(OC)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 COc1ccc(cc1)C[*:1] CCCn1cc(C(=O)N[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
CCCn1cc(C(=O)NCc2ccc(OC)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] CCCn1cc(C(=O)NCc2ccc(cc2)OC)c2nn(c(=O)c-2c1)[*:1]
CC(=O)c1ccc(NC(=O)CNC(=O)C2CCCC2)cc1C C1CCC(C1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)CNC(=O)[*:1]
CC(=O)c1ccc(NC(=O)CNC(=O)C2CCCC2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)CNC(=O)C1CCCC1
O=C1CN(C(=O)CCS(=O)(=O)C2CCCC2)CCN1 C1CCC(C1)[*:1] O=C1CN(CCN1)C(=O)CCS(=O)(=O)[*:1]
OCCN1CCN(c2cc(-c3cncc(-c4cccs4)c3)nc(-c3ccccc3)n2)CC1 OCC[*:1] c1ccc(cc1)-c1nc(cc(n1)N1CCN(CC1)[*:1])-c1cncc(c1)-c1cccs1
OCCN1CCN(c2cc(-c3cncc(-c4cccs4)c3)nc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] OCCN1CCN(CC1)c1cc(nc(n1)[*:1])-c1cncc(c1)-c1cccs1
OCCN1CCN(c2cc(-c3cncc(-c4cccs4)c3)nc(-c3ccccc3)n2)CC1 c1csc(c1)[*:1] OCCN1CCN(CC1)c1cc(nc(n1)-c1ccccc1)-c1cncc(c1)[*:1]
OCCN1CCN(c2cc(-c3cncc(-c4cccs4)c3)nc(-c3ccccc3)n2)CC1 OCCN1CCN(CC1)[*:1] c1ccc(cc1)-c1nc(cc(n1)[*:1])-c1cncc(c1)-c1cccs1
COc1ccc([C@H](O)[C@H](C)NC(=O)Nc2ccc(F)c(C)c2)cc1 Cc1cc(ccc1F)[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)N[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)Nc2ccc(F)c(C)c2)cc1 COc1ccc(cc1)[*:1] Cc1cc(ccc1F)NC(=O)N[C@@H](C)[C@@H](O)[*:1]
CCN(C(=O)NCc1coc(-c2ccc(C)cc2)n1)[C@H](C)C(C)C Cc1ccc(cc1)[*:1] CCN(C(=O)NCc1coc(n1)[*:1])[C@H](C)C(C)C
CCN(C(=O)NCc1coc(-c2ccc(C)cc2)n1)[C@H](C)C(C)C CC(C)[*:1] CCN(C(=O)NCc1coc(n1)-c1ccc(C)cc1)[C@H](C)[*:1]
CCN(C(=O)NCc1coc(-c2ccc(C)cc2)n1)[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CCN(C(=O)NCc1coc(n1)-c1ccc(C)cc1)[*:1]
[NH3+]C[C@H](C1CC1)[NH+]1CC2(CCOCC2)C1 C1CC1[*:1] [NH3+]C[C@H]([NH+]1CC2(CCOCC2)C1)[*:1]
NC(=O)c1ccc(C[S@](=O)CCCc2nc3ccccc3o2)cc1 NC(=O)[*:1] O=[S@](CCCc1nc2ccccc2o1)Cc1ccc(cc1)[*:1]
Cn1cc(Cl)c(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)n1 c1cc(ccn1)[*:1] Cn1cc(Cl)c(n1)C(=O)NCCc1cc2nc(ccn2n1)[*:1]
Cn1cc(Cl)c(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)n1 Cn1cc(Cl)c(n1)[*:1] O=C(NCCc1cc2nc(ccn2n1)-c1ccncc1)[*:1]
CC[C@@](C)(NCCc1ccc([N+](=O)[O-])cc1)c1nccs1 c1csc(n1)[*:1] CC[C@@](C)(NCCc1ccc(cc1)[N+](=O)[O-])[*:1]
CC[C@@](C)(NCCc1ccc([N+](=O)[O-])cc1)c1nccs1 O=[N+]([O-])[*:1] CC[C@@](C)(NCCc1ccc(cc1)[*:1])c1nccs1
CN[C@@H](c1ccc(C)s1)C1([NH+]2CCCC2)CCCC1 Cc1ccc(s1)[*:1] CN[C@@H](C1(CCCC1)[NH+]1CCCC1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 CS(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)Cc1ccc(s1)-c1cccc(Cl)c1
CS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 Clc1cccc(c1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccc(s1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=C(N1CCN(CC1)Cc1ccc(s1)-c1cccc(Cl)c1)[*:1]
O=C(c1ccc([O-])nn1)N1CCC(c2nnc(C3CC3)o2)CC1 [O-]c1ccc(nn1)[*:1] O=C(N1CCC(CC1)c1nnc(o1)C1CC1)[*:1]
O=C(c1ccc([O-])nn1)N1CCC(c2nnc(C3CC3)o2)CC1 C1CC1[*:1] O=C(c1ccc([O-])nn1)N1CCC(CC1)c1nnc(o1)[*:1]
CNC(=O)C[NH+](C)Cc1cccc(C[NH3+])c1 CNC(=O)C[*:1] C[NH+](Cc1cccc(c1)C[NH3+])[*:1]
CNC(=O)C[NH+](C)Cc1cccc(C[NH3+])c1 CNC(=O)[*:1] C[NH+](Cc1cccc(c1)C[NH3+])C[*:1]
CCc1c(C(=O)Nc2cnc3c(c2)c(C)nn3C)cnn1-c1ccccc1 c1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)Nc1cnc2c(c1)c(C)nn2C
COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)cc1 COc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)[C@H](C)NS(=O)(=O)[*:1]
CCC[C@@H]1CN(C(=O)Nc2cnccc2C)CCO1 CCC[*:1] Cc1ccncc1NC(=O)N1CCO[C@@H](C1)[*:1]
CCOCc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1 CCO[*:1] Cc1c(cnn1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)C[*:1]
CCOCc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1 CCOC[*:1] Cc1c(cnn1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
CCOCc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1 Clc1cccc(c1)[*:1] CCOCc1ccc(cc1)NC(=O)c1cnn(c1C)[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1 C[NH+](C)C[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](Cc1ccc(C)cc1)NC(=O)[C@H](C)CC CC[C@@H](C)[*:1] CC[C@@H](Cc1ccc(C)cc1)NC(=O)[*:1]
Cc1cc(C)n2nc(C(=O)Nc3ccc4nc(-c5cccs5)[nH]c4c3)nc2n1 c1csc(c1)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Nc1ccc2nc([nH]c2c1)[*:1]
C[C@]1(C(N)=O)CN(Cc2ccc3ncccc3c2)CCO1 NC(=O)[*:1] C[C@@]1(CN(CCO1)Cc1ccc2ncccc2c1)[*:1]
Cc1c(NC(=S)N/N=c2\sc3ccccc3n2C)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=S)N/N=c2\sc3ccccc3n2C)c(=O)n(n1C)[*:1]
COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NC2CC2)c(OC)c1 O=C(NC1CC1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1cccc(Cl)c1
COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NC2CC2)c(OC)c1 Clc1cccc(c1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CN(C[C@@H]1C(=O)NC1CC1)C(=O)[*:1]
COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NC2CC2)c(OC)c1 C1CC1[*:1] COc1ccc(c(c1)OC)[C@@H]1CN(C[C@@H]1C(=O)N[*:1])C(=O)c1cccc(Cl)c1
COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)NC2CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(NC1CC1)[C@H]1CN(C[C@H]1[*:1])C(=O)c1cccc(Cl)c1
CCOc1ccccc1Oc1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)cn1 CCOc1ccccc1O[*:1] O=C(NCc1ccc(nc1)[*:1])N1CCN(CC1)c1ccccc1
CCOc1ccccc1Oc1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)cn1 c1ccc(cc1)[*:1] CCOc1ccccc1Oc1ccc(cn1)CNC(=O)N1CCN(CC1)[*:1]
CCOc1ccccc1Oc1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)cn1 CCOc1ccccc1[*:1] O=C(NCc1ccc(nc1)O[*:1])N1CCN(CC1)c1ccccc1
CCOc1ccccc1Oc1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)cn1 CCO[*:1] O=C(NCc1ccc(nc1)Oc1ccccc1[*:1])N1CCN(CC1)c1ccccc1
O=C(NCc1ccc(-n2cccn2)cc1)NOC1CCCC1 C1CCC(C1)[*:1] O=C(NCc1ccc(cc1)-n1cccn1)NO[*:1]
O=C(NCc1ccc(-n2cccn2)cc1)NOC1CCCC1 c1cnn(c1)[*:1] O=C(NCc1ccc(cc1)[*:1])NOC1CCCC1
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@H](C)c2ccc(Cl)s2)C1 COC(=O)C(C)(C)[*:1] C[C@@H](C(=O)N1CCC[C@@H](C1)[*:1])c1ccc(Cl)s1
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@H](C)c2ccc(Cl)s2)C1 Clc1ccc(s1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)[C@H](C)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@H](C)c2ccc(Cl)s2)C1 COC(=O)[*:1] C[C@@H](C(=O)N1CCC[C@@H](C1)C(C)(C)[*:1])c1ccc(Cl)s1
C[C@@H](CS)CSc1ccc(Cl)cn1 C[C@@H](CS)[*:1] Clc1ccc(nc1)SC[*:1]
COC(=O)c1ccc(Nc2ncnc(Nc3ccc(C)cn3)c2N)cc1 Cc1ccc(nc1)[*:1] COC(=O)c1ccc(cc1)Nc1ncnc(N[*:1])c1N
COC(=O)c1ccc(Nc2ncnc(Nc3ccc(C)cn3)c2N)cc1 Cc1ccc(nc1)N[*:1] COC(=O)c1ccc(cc1)Nc1ncnc(c1N)[*:1]
COC(=O)c1ccc(Nc2ncnc(Nc3ccc(C)cn3)c2N)cc1 COC(=O)[*:1] Cc1ccc(nc1)Nc1ncnc(Nc2ccc(cc2)[*:1])c1N
CN1C(=O)C[C@@H](C(=O)NCCC2=c3ccccc3=[NH+]C2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)C[C@@H](C(=O)NCCC2C[NH+]=c3ccccc3=2)[C@@H]1[*:1]
C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Br)cc1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1ccc(Br)cc1
COC(=O)CN[C@@H](c1cccs1)C(C)(C)C COC(=O)[*:1] CC(C)(C)[C@@H](NC[*:1])c1cccs1
COC(=O)CN[C@@H](c1cccs1)C(C)(C)C COC(=O)C[*:1] CC(C)(C)[C@@H](N[*:1])c1cccs1
COC(=O)CN[C@@H](c1cccs1)C(C)(C)C c1csc(c1)[*:1] COC(=O)CN[C@@H](C(C)(C)C)[*:1]
COC(=O)CN[C@@H](c1cccs1)C(C)(C)C CC(C)(C)[*:1] COC(=O)CN[C@@H](c1cccs1)[*:1]
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1[*:1]
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 COc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)Nc1ccccc1C(F)(F)F
CC(C)c1nc(CC(=O)N2CCC[C@@H](O)C2)cs1 CC(C)[*:1] O=C(Cc1csc(n1)[*:1])N1CCC[C@@H](O)C1
CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)s1 c1cc2OCOc2cc1[*:1] CC(=O)NCc1ccc(s1)C(=O)CSc1nnc(o1)[*:1]
CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)s1 CC(=O)N[*:1] O=C(CSc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(C[*:1])s1
CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)s1 CC(=O)NC[*:1] O=C(CSc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(s1)[*:1]
O=C(NCCc1c[nH]c[nH+]1)[C@@H]1NN2C(C(F)(F)F)=CC(c3cccs3)=N[C@H]2[C@@H]1Cl c1csc(c1)[*:1] O=C(NCCc1c[nH]c[nH+]1)[C@@H]1NN2C(=CC(=N[C@H]2[C@@H]1Cl)[*:1])C(F)(F)F
O=C(NCCc1c[nH]c[nH+]1)[C@@H]1NN2C(C(F)(F)F)=CC(c3cccs3)=N[C@H]2[C@@H]1Cl FC(F)(F)[*:1] O=C(NCCc1c[nH]c[nH+]1)[C@@H]1NN2C(=CC(=N[C@H]2[C@@H]1Cl)c1cccs1)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 Cc1noc(C)c1[*:1] O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(cc1)OC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 Cc1noc(C)c1C[*:1] O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(cc1)O[*:1]
Cc1noc(C)c1COc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 Cc1noc(C)c1CO[*:1] O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(cc1)[*:1]
CN(CCc1cccs1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(CCc1cccs1)C(=O)c1ccc(c(c1)[*:1])N1CCCC1
CN(CCc1cccs1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
CN(CCc1cccs1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] CN(CCc1cccs1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN(CCc1cccs1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 c1csc(c1)CC[*:1] CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)[*:1]
CN(CCc1cccs1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
CCC(O)(CC)CNC(=O)Cc1cccc(F)c1F CCC(O)(CC)[*:1] O=C(Cc1cccc(F)c1F)NC[*:1]
C[C@H]1CN(Cc2ccccc2NCc2nnnn2C2CC2)C[C@@H](C)O1 C1CC1[*:1] C[C@H]1CN(Cc2ccccc2NCc2nnnn2[*:1])C[C@@H](C)O1
C[C@H]1CN(Cc2ccccc2NCc2nnnn2C2CC2)C[C@@H](C)O1 C1CC1n1nnnc1[*:1] C[C@H]1CN(Cc2ccccc2NC[*:1])C[C@@H](C)O1
CN(C(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] CN(C(=O)N[C@@H]1C=C[C@@H](C1)[*:1])[C@H]1CCS(=O)(=O)C1
COC(=O)CCNC(=O)c1ccc2c(c1)CCO2 COC(=O)[*:1] O=C(NCC[*:1])c1ccc2OCCc2c1
COC(=O)CCNC(=O)c1ccc2c(c1)CCO2 COC(=O)CC[*:1] O=C(N[*:1])c1ccc2OCCc2c1
COC(=O)CCNC(=O)c1ccc2c(c1)CCO2 COC(=O)C[*:1] O=C(NC[*:1])c1ccc2OCCc2c1
COc1cccc(S(=O)(=O)[C@@H](C)C(=O)NCC(C)C)c1 CC(C)[*:1] COc1cccc(c1)S(=O)(=O)[C@@H](C)C(=O)NC[*:1]
COc1cccc(S(=O)(=O)[C@@H](C)C(=O)NCC(C)C)c1 CC(C)C[*:1] COc1cccc(c1)S(=O)(=O)[C@@H](C)C(=O)N[*:1]
C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)C1 c1ccc(cc1)[*:1] C[C@H]1CCCN(C1)C(=O)C(=O)Nc1cccc(c1)C(=O)N(C)[*:1]
Cc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N(CC(=O)NC[*:1])S(=O)(=O)c1c(C)nn(C)c1C
Cc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 Cc1nn(C)c(C)c1[*:1] Cc1ccc(cc1)N(CC(=O)NCc1cccs1)S(=O)(=O)[*:1]
Cc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 O=C(NCc1cccs1)[*:1] Cc1ccc(cc1)N(C[*:1])S(=O)(=O)c1c(C)nn(C)c1C
Cc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1cccs1)[*:1]
Cc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)N(CC(=O)N[*:1])S(=O)(=O)c1c(C)nn(C)c1C
C=C(C)[C@H]([NH2+]CC)[C@H](C)CC C=C(C)[*:1] CC[NH2+][C@H]([C@H](C)CC)[*:1]
C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(F)c1 C=CC[*:1] Cc1ccc(cc1F)S(=O)(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(F)c1 O=S1(=O)CC[C@@H](C1)[*:1] C=CCN(S(=O)(=O)c1ccc(C)c(F)c1)[*:1]
O=C(Cc1csc(-c2cccs2)n1)NCCn1ccc2ccc(F)cc21 c1csc(c1)[*:1] O=C(Cc1csc(n1)[*:1])NCCn1ccc2ccc(F)cc21
CC(C)(C)c1ccccc1NC(=O)c1nnn[n-]1 CC(C)(C)[*:1] O=C(Nc1ccccc1[*:1])c1nnn[n-]1
CNS(=O)(=O)c1cc(NC(=O)c2cc(C)cc(C)c2)ccc1C CNS(=O)(=O)[*:1] Cc1cc(C)cc(c1)C(=O)Nc1ccc(C)c(c1)[*:1]
COc1ccc(CC(=O)NNC(=O)c2cccs2)cc1S(=O)(=O)N1CCOCC1 c1csc(c1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCOCC1)CC(=O)NNC(=O)[*:1]
COc1ccc(CC(=O)NNC(=O)c2cccs2)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1[*:1])CC(=O)NNC(=O)c1cccs1
Cc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)s1 Cc1ccc(s1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)[*:1]
C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc(CC(=O)NC)cc1 CNC(=O)[*:1] C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc(cc1)C[*:1]
C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc(CC(=O)NC)cc1 CNC(=O)C[*:1] C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc(cc1)[*:1]
C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc(CC(=O)NC)cc1 C=CC[*:1] CNC(=O)Cc1ccc(cc1)N[C@@H](C)C(=O)NC(=O)N[*:1]
CCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2OC)cc1 CCO[*:1] COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(cc1)[*:1]
COc1ccccc1N1C(=O)CC[C@H]1CC(=O)[O-] O=C([O-])C[*:1] COc1ccccc1N1C(=O)CC[C@@H]1[*:1]
COc1ccccc1N1C(=O)CC[C@H]1CC(=O)[O-] O=C([O-])[*:1] COc1ccccc1N1C(=O)CC[C@H]1C[*:1]
CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(C)c(F)c2)c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1F)C[NH2+]Cc1cccc(c1)[*:1]
CC(C)CC1(c2nc3cc(N)ccc3o2)CCCC1 CC(C)[*:1] Nc1ccc2oc(nc2c1)C1(CCCC1)C[*:1]
CC(C)CC1(c2nc3cc(N)ccc3o2)CCCC1 CC(C)C[*:1] Nc1ccc2oc(nc2c1)C1(CCCC1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 C1CC1c1nc(no1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCN(CC1)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 FC(F)(F)c1ccccc1[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(cc1)-c1noc(n1)C1CC1
O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 C1CC1[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCN(CC1)c1ccc(cc1)-c1noc(n1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])N1CCN(CC1)c1ccc(cc1)-c1noc(n1)C1CC1
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(CCc4cccs4)c3C)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])c(C)n1CCc1cccs1
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(CCc4cccs4)c3C)C2=O)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)c2cc(C)n(CC[*:1])c2C)C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(CCc4cccs4)c3C)C2=O)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)c2cc(C)n(C[*:1])c2C)C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(CCc4cccs4)c3C)C2=O)cc1 c1csc(c1)CC[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)c2cc(C)n(c2C)[*:1])C1=O
CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 Fc1ccc(cc1)[*:1] CC[C@H](S(=O)(=O)c1ccc(OC)c(c1)OC)[*:1]
Cc1cc(=O)[nH]c(-c2ccc(NCCOc3cccnc3)nc2)n1 c1cncc(c1)[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(nc1)NCCO[*:1]
Cc1cc(=O)[nH]c(-c2ccc(NCCOc3cccnc3)nc2)n1 c1cncc(c1)O[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(nc1)NCC[*:1]
Cc1cc(=O)[nH]c(-c2ccc(NCCOc3cccnc3)nc2)n1 Cc1cc(=O)[nH]c(n1)[*:1] c1cncc(c1)OCCNc1ccc(cn1)[*:1]
Cc1cc(=O)[nH]c(-c2ccc(NCCOc3cccnc3)nc2)n1 c1cncc(c1)OC[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc(nc1)NC[*:1]
CCOc1ccc(O)c(/C=[NH+]/[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 CCO[*:1] CC1(C)[C@@H](/[NH+]=C/c2cc(ccc2O)[*:1])[C@@H]2CCO[C@@H]21
CCCOc1ccc(Nc2snc(C)c2C(=O)[O-])cc1 CCC[*:1] Cc1nsc(Nc2ccc(cc2)O[*:1])c1C(=O)[O-]
CCCOc1ccc(Nc2snc(C)c2C(=O)[O-])cc1 CCCO[*:1] Cc1nsc(Nc2ccc(cc2)[*:1])c1C(=O)[O-]
CCCOc1ccc(Nc2snc(C)c2C(=O)[O-])cc1 O=C([O-])[*:1] CCCOc1ccc(cc1)Nc1snc(C)c1[*:1]
C=CCOc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 C=CCO[*:1] O=[N+]([O-])c1ccc(Nc2cccc(c2)[*:1])c(c1)[N+](=O)[O-]
C=CCOc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] C=CCOc1cccc(c1)Nc1ccc(cc1[N+](=O)[O-])[*:1]
C=CCOc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] C=CCOc1cccc(c1)Nc1ccc(cc1[*:1])[N+](=O)[O-]
C=CCOc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 C=CC[*:1] O=[N+]([O-])c1ccc(Nc2cccc(c2)O[*:1])c(c1)[N+](=O)[O-]
Cc1noc([C@H](OC(=O)c2cnn(C)c2)c2ccccc2)n1 Cc1noc(n1)[*:1] Cn1cc(cn1)C(=O)O[C@H](c1ccccc1)[*:1]
Cc1noc([C@H](OC(=O)c2cnn(C)c2)c2ccccc2)n1 Cn1cc(cn1)[*:1] Cc1noc(n1)[C@H](OC(=O)[*:1])c1ccccc1
Cc1noc([C@H](OC(=O)c2cnn(C)c2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@H](OC(=O)c1cnn(C)c1)[*:1]
O=C(C[C@@H]1OCCc2ccsc21)N1CCN(CCO)CC1 OCC[*:1] O=C(C[C@@H]1OCCc2ccsc21)N1CCN(CC1)[*:1]
CN1CC[C@@H]([NH2+]C2CCN(Cc3cccnc3)CC2)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1CC[C@@H]([NH2+]C2CCN(CC2)Cc2cccnc2)[C@H]1[*:1]
CN1CC[C@@H]([NH2+]C2CCN(Cc3cccnc3)CC2)[C@@H]1c1ccc(F)cc1 c1cncc(c1)C[*:1] CN1CC[C@@H]([NH2+]C2CCN(CC2)[*:1])[C@@H]1c1ccc(F)cc1
CN1CC[C@@H]([NH2+]C2CCN(Cc3cccnc3)CC2)[C@@H]1c1ccc(F)cc1 c1cncc(c1)[*:1] CN1CC[C@@H]([NH2+]C2CCN(CC2)C[*:1])[C@@H]1c1ccc(F)cc1
CCC[NH2+][C@H](CC)[C@H](CC)c1ccc(F)cc1 CCC[*:1] CC[C@@H]([NH2+][*:1])[C@H](CC)c1ccc(F)cc1
COC(=O)c1ccc(CNC(=O)c2ccc(F)cc2F)cc1 COC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(F)cc1F
CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1[*:1]
CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1F CCOC(=O)[*:1] O=C1[C@@H]([C@@H](c2ccccc2F)n2c(nc3ccccc32)N1Cc1ccccc1)[*:1]
CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1F c1ccc(cc1)C[*:1] CCOC(=O)[C@H]1C(=O)N(c2nc3ccccc3n2[C@@H]1c1ccccc1F)[*:1]
CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1F c1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(=O)N(C[*:1])c2nc3ccccc3n2[C@@H]1c1ccccc1F
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 NC(=O)[*:1] C[C@H]1CC[C@H](CN1C(=O)[C@@H]1CCCN(C1)C(=O)Nc1ccccc1F)[*:1]
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 Fc1ccccc1[*:1] C[C@H]1CC[C@@H](CN1C(=O)[C@@H]1CCCN(C1)C(=O)N[*:1])C(N)=O
O=c1[nH]cccc1-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCC1 C1CCC(C1)[*:1] O=c1[nH]cccc1-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2[*:1]
O=c1[nH]cccc1-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCC1 O=c1[nH]cccc1[*:1] O=c1[nH]n(c2nc3c(oc4cc(O)ccc43)c(c12)[*:1])C1CCCC1
CC(=O)Nc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 CC(=O)N[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(cc1)[*:1]
C[C@@H]1[NH2+]CC[C@@H]1CN1CCC(C(F)(F)F)CC1 FC(F)(F)[*:1] C[C@@H]1[NH2+]CC[C@@H]1CN1CCC(CC1)[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1=NCCS1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(NC1=NCCS1)[C@H](Cc1ccccc1)[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1=NCCS1)c1cccs1 c1csc(c1)[*:1] O=C(NC1=NCCS1)[C@H](Cc1ccccc1)NC(=O)[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1=NCCS1)c1cccs1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)NC1=NCCS1)[*:1])c1cccs1
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1=NCCS1)c1cccs1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)NC1=NCCS1)c1cccs1
Cc1cc2cc(C(=O)NCC(=O)NCC(C)C)oc2cc1C CC(C)C[*:1] Cc1cc2cc(oc2cc1C)C(=O)NCC(=O)N[*:1]
Cc1cc2cc(C(=O)NCC(=O)NCC(C)C)oc2cc1C CC(C)CNC(=O)[*:1] Cc1cc2cc(oc2cc1C)C(=O)NC[*:1]
Cc1cc2cc(C(=O)NCC(=O)NCC(C)C)oc2cc1C CC(C)[*:1] Cc1cc2cc(oc2cc1C)C(=O)NCC(=O)NC[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C CC[C@H](C)[*:1] Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C CC[C@H](C)NC(=O)[*:1] Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)[*:1]
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(cc1)[*:1]
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 CC[C@H](C)[*:1] CC(=O)Nc1ccc(cc1)S[C@H](C)C(=O)Nc1ccccc1[*:1]
CCOc1cc([C@H]2C(N)=NC(=O)N2C(C)C)ccc1O CC(C)[*:1] CCOc1cc(ccc1O)[C@H]1C(N)=NC(=O)N1[*:1]
CCOc1cc([C@H]2C(N)=NC(=O)N2C(C)C)ccc1O CCO[*:1] CC(C)N1C(=O)N=C(N)[C@@H]1c1ccc(O)c(c1)[*:1]
COc1cccc(-c2cc3n(C)c(C)c(CCC(=O)NCc4ccc5c(c4)OCO5)c(=O)n3n2)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)-c1cc2n(C)c(C)c(CCC(=O)NC[*:1])c(=O)n2n1
COc1cccc(-c2cc3n(C)c(C)c(CCC(=O)NCc4ccc5c(c4)OCO5)c(=O)n3n2)c1 c1cc2OCOc2cc1C[*:1] COc1cccc(c1)-c1cc2n(C)c(C)c(CCC(=O)N[*:1])c(=O)n2n1
COc1cccc(-c2cc3n(C)c(C)c(CCC(=O)NCc4ccc5c(c4)OCO5)c(=O)n3n2)c1 COc1cccc(c1)[*:1] Cc1c(CCC(=O)NCc2ccc3OCOc3c2)c(=O)n2nc(cc2n1C)[*:1]
COc1cc(CN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1O c1ccc(cc1)[*:1] COc1cc(cc(OC)c1O)CN1CCN(CC1)C(=O)C(c1ccccc1)[*:1]
COc1cc(CN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1O COc1cc(cc(OC)c1O)[*:1] O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)C[*:1]
O=S(=O)(Cc1ccccc1)NCc1cccn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=S(=O)(NCc1cccn1Cc1ccccc1)[*:1]
O=S(=O)(Cc1ccccc1)NCc1cccn1Cc1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])NCc1cccn1Cc1ccccc1
O=S(=O)(Cc1ccccc1)NCc1cccn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=S(=O)(Cc1ccccc1)NCc1cccn1[*:1]
O=S(=O)(Cc1ccccc1)NCc1cccn1Cc1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Cc1ccccc1)NCc1cccn1C[*:1]
CC(C)Oc1ccc(/C=C/C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 CC(C)O[*:1] CC1(C)[C@@H](NC(=O)/C=C/c2ccc(cc2)[*:1])[C@H]2CCO[C@@H]21
CC(C)Oc1ccc(/C=C/C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 CC(C)[*:1] CC1(C)[C@@H](NC(=O)/C=C/c2ccc(cc2)O[*:1])[C@H]2CCO[C@@H]21
COc1ncccc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ncccc1CNC(=O)CSc1ccc(cc1)[*:1]
COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2C)cc1 COc1ccc(cc1)[*:1] Cn1c(Cc2ccccc2)nnc1SCC(=O)[*:1]
COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)CSc1nnc(C[*:1])n1C
COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2C)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)CSc1nnc(n1C)[*:1]
CCc1cccc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)c1 CCN(CC)S(=O)(=O)[*:1] CCc1cccc(c1)NC(=O)c1cc(ccc1Cl)[*:1]
CCc1cccc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)c1 CCc1cccc(c1)[*:1] CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
CC(C)(c1ccccc1)c1nnc(NC(=O)C[C@H](O)c2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)(c1nnc(NC(=O)C[C@H](O)c2ccccc2)s1)[*:1]
CC(C)(c1ccccc1)c1nnc(NC(=O)C[C@H](O)c2ccccc2)s1 O[C@H](c1ccccc1)[*:1] CC(C)(c1ccccc1)c1nnc(NC(=O)C[*:1])s1
CC(C)(c1ccccc1)c1nnc(NC(=O)C[C@H](O)c2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)(c1ccccc1)c1nnc(NC(=O)C[C@H](O)[*:1])s1
O=C1CN(C(=O)Cc2coc(-c3ccccc3)n2)CCN1 c1ccc(cc1)[*:1] O=C1CN(CCN1)C(=O)Cc1coc(n1)[*:1]
Cc1ccc(C)c2sc(OC3CCN(C(=O)c4ccc(Br)o4)CC3)nc12 Brc1ccc(o1)[*:1] Cc1ccc(C)c2sc(nc12)OC1CCN(CC1)C(=O)[*:1]
CC(C)C[NH2+]Cc1nc2c(s1)CCC2(C)C CC(C)[*:1] CC1(C)CCc2sc(C[NH2+]C[*:1])nc21
CC(C)C[NH2+]Cc1nc2c(s1)CCC2(C)C CC(C)C[*:1] CC1(C)CCc2sc(C[NH2+][*:1])nc21
C/C(NCCc1ccccc1)=C1/N=C(c2ccccc2)OC1=O c1ccc(cc1)[*:1] C/C(NCCc1ccccc1)=C1/N=C(OC1=O)[*:1]
C/C(NCCc1ccccc1)=C1/N=C(c2ccccc2)OC1=O c1ccc(cc1)[*:1] C/C(NCC[*:1])=C1/N=C(OC1=O)c1ccccc1
C/C(NCCc1ccccc1)=C1/N=C(c2ccccc2)OC1=O c1ccc(cc1)C[*:1] C/C(NC[*:1])=C1/N=C(OC1=O)c1ccccc1
C[NH+](C)CCC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 c1ccc(cc1)[*:1] C[NH+](C)CCC1CCN(CC1)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
COC(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)c2ccccc21 C1CC1[*:1] COC(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2[*:1])c2ccccc21
COC(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)c2ccccc21 COC(=O)[*:1] O=C([C@H]1C[C@@H]1C1CC1)N1CC[C@H](c2ccccc21)[*:1]
Cc1cc(CNC(=O)c2n[nH]c(C(C)C)n2)cc(C)c1F CC(C)[*:1] Cc1cc(cc(C)c1F)CNC(=O)c1n[nH]c(n1)[*:1]
N#Cc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] N#Cc1cccc(c1)C(=O)N1CCCC[C@H]1[*:1]
O=C(CCc1ccccc1F)N1CCc2ccc(Cl)cc2C1 Fc1ccccc1[*:1] O=C(CC[*:1])N1CCc2ccc(Cl)cc2C1
N#Cc1cc2c(nc1NC(=O)Cn1cccc(C(F)(F)F)c1=O)CCC2 FC(F)(F)[*:1] N#Cc1cc2CCCc2nc1NC(=O)Cn1cccc(c1=O)[*:1]
Cc1csc(SCc2cc(=O)oc3cc4c(cc23)CCC4)n1 Cc1csc(n1)S[*:1] O=c1cc(C[*:1])c2cc3CCCc3cc2o1
Cc1csc(SCc2cc(=O)oc3cc4c(cc23)CCC4)n1 Cc1csc(n1)[*:1] O=c1cc(CS[*:1])c2cc3CCCc3cc2o1
O=C(CCCc1cccs1)NCC1CC1 c1csc(c1)[*:1] O=C(CCC[*:1])NCC1CC1
O=C(CCCc1cccs1)NCC1CC1 C1CC1[*:1] O=C(CCCc1cccs1)NC[*:1]
O=C(CCCc1cccs1)NCC1CC1 C1CC1C[*:1] O=C(CCCc1cccs1)N[*:1]
C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)[O-] O=C([O-])[*:1] C[C@H](SCc1nc2ccccc2c(=O)[nH]1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)NC1CCC2(CC1)OCCO2 Cc1noc(C)c1[*:1] C[C@H](NC(=O)NC1CCC2(CC1)OCCO2)[*:1]
Cc1cnc(CN(Cc2ccccc2)[C@@H](C)CCO)cn1 c1ccc(cc1)[*:1] Cc1cnc(cn1)CN(C[*:1])[C@@H](C)CCO
Cc1cnc(CN(Cc2ccccc2)[C@@H](C)CCO)cn1 OCC[*:1] Cc1cnc(cn1)CN(Cc1ccccc1)[C@@H](C)[*:1]
Cc1cnc(CN(Cc2ccccc2)[C@@H](C)CCO)cn1 c1ccc(cc1)C[*:1] Cc1cnc(cn1)CN([C@@H](C)CCO)[*:1]
Cc1cnc(CN(Cc2ccccc2)[C@@H](C)CCO)cn1 Cc1cnc(cn1)[*:1] C[C@@H](CCO)N(Cc1ccccc1)C[*:1]
CCc1ccc(C(=O)N2CCC[NH+](CCCC[NH3+])CC2)o1 CCc1ccc(o1)[*:1] [NH3+]CCCC[NH+]1CCCN(CC1)C(=O)[*:1]
C[NH2+]Cc1cncc(N(C)[C@@H](C)c2cccs2)n1 c1csc(c1)[*:1] C[NH2+]Cc1cncc(n1)N(C)[C@@H](C)[*:1]
COC(=O)c1ccc(Oc2ncnc(Nc3cccc(C(C)=O)c3)c2N)cc1 COC(=O)[*:1] CC(=O)c1cccc(c1)Nc1ncnc(Oc2ccc(cc2)[*:1])c1N
COC(=O)c1ccc(Oc2ncnc(Nc3cccc(C(C)=O)c3)c2N)cc1 CC(=O)c1cccc(c1)[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(N[*:1])c1N
COC(=O)c1ccc(Oc2ncnc(Nc3cccc(C(C)=O)c3)c2N)cc1 CC(=O)[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(Nc2cccc(c2)[*:1])c1N
Cc1ccc([C@@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3)n2)o1 Cc1ccc(o1)[*:1] C[C@@H]([NH2+]Cc1ccn(n1)-c1ccc(F)cc1)[*:1]
Cc1ccc([C@@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3)n2)o1 Fc1ccc(cc1)[*:1] Cc1ccc(o1)[C@@H](C)[NH2+]Cc1ccn(n1)[*:1]
Cc1cn2c(CN(C)C(=O)[C@H](C)Cc3c(C)noc3C)c(C)nc2s1 Cc1noc(C)c1C[*:1] Cc1cn2c(CN(C)C(=O)[C@H](C)[*:1])c(C)nc2s1
Cc1cn2c(CN(C)C(=O)[C@H](C)Cc3c(C)noc3C)c(C)nc2s1 Cc1noc(C)c1[*:1] Cc1cn2c(CN(C)C(=O)[C@H](C)C[*:1])c(C)nc2s1
COc1ccc(NC(=O)N2CCN(c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
Cn1cnnc1SCC(=O)Nc1nnc(-c2ccc(Br)cc2)s1 Cn1cnnc1S[*:1] O=C(C[*:1])Nc1nnc(s1)-c1ccc(Br)cc1
Cn1cnnc1SCC(=O)Nc1nnc(-c2ccc(Br)cc2)s1 Cn1cnnc1[*:1] O=C(CS[*:1])Nc1nnc(s1)-c1ccc(Br)cc1
Cn1cnnc1SCC(=O)Nc1nnc(-c2ccc(Br)cc2)s1 Brc1ccc(cc1)[*:1] Cn1cnnc1SCC(=O)Nc1nnc(s1)[*:1]
Cc1cc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)c(Cl)cc1Cl C1CCC(CC1)[*:1] Cc1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)c(OC)c1 c1ccc2sc(nc2c1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(=O)Nc2c1c(C)nn2[*:1]
COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1nn(-c2nc3ccccc3s2)c2NC(=O)C[C@H](c12)[*:1]
CCc1ccc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] CCc1ccc(o1)C(=O)NNC(=O)CS[*:1]
CCc1ccc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)o1 CCc1ccc(o1)[*:1] O=C(CSc1ccc(Cl)cc1)NNC(=O)[*:1]
C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccccc1[*:1]
CCN1C[C@@H](C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)CC1=O CCN1C[C@@H](CC1=O)[*:1] Cc1cccc(n1)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCN1C[C@@H](C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)CC1=O Cc1cccc(n1)[*:1] CCN1C[C@H](CC1=O)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
O=C1C[C@H](C(=O)[O-])c2c(nc(Nc3ccc(Oc4ccccc4)cc3)[nH]c2=O)N1 c1ccc(cc1)O[*:1] O=C1C[C@H](C(=O)[O-])c2c(nc(Nc3ccc(cc3)[*:1])[nH]c2=O)N1
O=C1C[C@H](C(=O)[O-])c2c(nc(Nc3ccc(Oc4ccccc4)cc3)[nH]c2=O)N1 c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)[O-])c2c(nc(Nc3ccc(cc3)O[*:1])[nH]c2=O)N1
O=C1C[C@H](C(=O)[O-])c2c(nc(Nc3ccc(Oc4ccccc4)cc3)[nH]c2=O)N1 O=C([O-])[*:1] O=C1C[C@H](c2c(nc(Nc3ccc(cc3)Oc3ccccc3)[nH]c2=O)N1)[*:1]
CC1=C(C(N)=O)[C@H](c2ccccn2)n2nc(SCc3ccccc3Cl)nc2N1 c1ccc(nc1)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(N)=O)[*:1])SCc1ccccc1Cl
CC1=C(C(N)=O)[C@H](c2ccccn2)n2nc(SCc3ccccc3Cl)nc2N1 Clc1ccccc1C[*:1] CC1Nc2nc(nn2[C@H](C=1C(N)=O)c1ccccn1)S[*:1]
CC1=C(C(N)=O)[C@H](c2ccccn2)n2nc(SCc3ccccc3Cl)nc2N1 Clc1ccccc1[*:1] CC1Nc2nc(nn2[C@H](C=1C(N)=O)c1ccccn1)SC[*:1]
CC1=C(C(N)=O)[C@H](c2ccccn2)n2nc(SCc3ccccc3Cl)nc2N1 NC(=O)[*:1] CC1Nc2nc(nn2[C@H](C=1[*:1])c1ccccn1)SCc1ccccc1Cl
CC1=C(C(N)=O)[C@H](c2ccccn2)n2nc(SCc3ccccc3Cl)nc2N1 Clc1ccccc1CS[*:1] CC1Nc2nc(nn2[C@H](C=1C(N)=O)c1ccccn1)[*:1]
Cc1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)Nc2ccc(cc2)C(=O)Nc2ccccc2)c(C)n1[*:1]
Cc1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c(C)n1C1CC1 c1ccc(cc1)[*:1] Cc1cc(C(=O)Nc2ccc(cc2)C(=O)N[*:1])c(C)n1C1CC1
Cc1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c(C)n1C1CC1 O=C(Nc1ccccc1)[*:1] Cc1cc(C(=O)Nc2ccc(cc2)[*:1])c(C)n1C1CC1
CCc1ccc(NC(=O)C(=O)N(C)Cc2cccs2)cc1[N+](=O)[O-] c1csc(c1)C[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)C(=O)N(C)[*:1]
CCc1ccc(NC(=O)C(=O)N(C)Cc2cccs2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)C(=O)N(C)Cc1cccs1
CCc1ccc(NC(=O)C(=O)N(C)Cc2cccs2)cc1[N+](=O)[O-] c1csc(c1)[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)C(=O)N(C)C[*:1]
Cc1c(Cl)cccc1NC(=O)C[NH+](C)Cc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] Cc1c(Cl)cccc1NC(=O)C[NH+](C)C[*:1]
CCc1nc(OCC(=O)c2ccc(F)cc2)c2sc3cccc(F)c3c2n1 Fc1ccc(cc1)[*:1] CCc1nc(OCC(=O)[*:1])c2sc3cccc(F)c3c2n1
CCc1nc(OCC(=O)c2ccc(F)cc2)c2sc3cccc(F)c3c2n1 O=C(c1ccc(F)cc1)[*:1] CCc1nc(OC[*:1])c2sc3cccc(F)c3c2n1
CC(=O)Nc1ccc(NC(=O)CSc2nnc3c4cc(Br)ccc4n(C)c3n2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cn1c2ccc(Br)cc2c2nnc(nc21)SCC(=O)N[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2nnc3c4cc(Br)ccc4n(C)c3n2)cc1 CC(=O)N[*:1] Cn1c2ccc(Br)cc2c2nnc(nc21)SCC(=O)Nc1ccc(cc1)[*:1]
C[C@H](/C([O-])=N/S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 O=[N+]([O-])[*:1] C[C@H](/C([O-])=N/S(=O)(=O)c1ccccc1[*:1])c1cccc(F)c1
C[C@H](/C([O-])=N/S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](/C([O-])=N/S(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc2ccccc2n1 c1ccc(cc1)[*:1] O=C(NCc1cnn(c1)C[*:1])c1ccc2ccccc2n1
O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc2ccccc2n1 c1ccc(cc1)C[*:1] O=C(NCc1cnn(c1)[*:1])c1ccc2ccccc2n1
CCc1ncc(S(=O)(=O)N2CCC[C@@H]2CC(C)=O)[nH]1 CC(=O)[*:1] CCc1ncc([nH]1)S(=O)(=O)N1CCC[C@@H]1C[*:1]
CCc1ncc(S(=O)(=O)N2CCC[C@@H]2CC(C)=O)[nH]1 CC(=O)C[*:1] CCc1ncc([nH]1)S(=O)(=O)N1CCC[C@H]1[*:1]
C[C@](N)(c1nc(-c2cccc(Br)c2)no1)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(c1nc(no1)-c1cccc(Br)c1)[*:1]
CC(C)[NH+](C)CCOC(=O)c1ccco1 c1coc(c1)[*:1] CC(C)[NH+](C)CCOC(=O)[*:1]
CC(C)[NH+](C)CCOC(=O)c1ccco1 CC(C)[*:1] C[NH+](CCOC(=O)c1ccco1)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 FC(F)(F)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)-n1ccc(n1)[*:1]
CC(=O)N1CCC[C@@H](C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 O=[N+]([O-])[*:1] CC(=O)N1CCC[C@H](C1)C(=O)O[C@H](C(=O)Nc1ccc(C)cc1[*:1])c1ccccc1
CC(=O)N1CCC[C@@H](C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 c1ccc(cc1)[*:1] CC(=O)N1CCC[C@H](C1)C(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])[*:1]
CC(=O)N1CCC[C@@H](C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 Cc1ccc(c(c1)[N+](=O)[O-])[*:1] CC(=O)N1CCC[C@H](C1)C(=O)O[C@H](C(=O)N[*:1])c1ccccc1
O=C(N/N=C/c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 Brc1ccc(cc1)[*:1] O=C(NN=C[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(N/N=C/c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(Br)cc1)c1ccc(cc1)[*:1]
CC(C)CN1C(=O)S/C(=C\c2ccc(I)o2)C1=O CC(C)C[*:1] O=C1S/C(=C\c2ccc(I)o2)C(=O)N1[*:1]
CC(C)CN1C(=O)S/C(=C\c2ccc(I)o2)C1=O CC(C)[*:1] O=C1S/C(=C\c2ccc(I)o2)C(=O)N1C[*:1]
CC(C)CN1C(=O)S/C(=C\c2ccc(I)o2)C1=O Ic1ccc(o1)[*:1] CC(C)CN1C(=O)SC(=C[*:1])C1=O
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)NC(C)C)cc12 CC(C)[*:1] Cc1nn(-c2ccccc2Cl)c2sc(cc12)C(=O)OCC(=O)N[*:1]
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)NC(C)C)cc12 Clc1ccccc1[*:1] Cc1nn(c2sc(cc12)C(=O)OCC(=O)NC(C)C)[*:1]
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)NC(C)C)cc12 CC(C)NC(=O)[*:1] Cc1nn(-c2ccccc2Cl)c2sc(cc12)C(=O)OC[*:1]
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)NC(C)C)cc12 CC(C)NC(=O)C[*:1] Cc1nn(-c2ccccc2Cl)c2sc(cc12)C(=O)O[*:1]
Cc1cccc2sc(OC3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)nc12 O=[N+]([O-])[*:1] Cc1cccc2sc(nc12)OC1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
Cc1cccc2sc(OC3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)nc12 O=[N+]([O-])c1ccccc1[*:1] Cc1cccc2sc(nc12)OC1CCN(CC1)S(=O)(=O)[*:1]
CC(C)[C@@H](NCC(=O)NC1CCOCC1)c1ccccc1 C1CC(CCO1)[*:1] CC(C)[C@@H](NCC(=O)N[*:1])c1ccccc1
CC(C)[C@@H](NCC(=O)NC1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NCC(=O)NC1CCOCC1)[*:1]
CC(C)[C@@H](NCC(=O)NC1CCOCC1)c1ccccc1 CC(C)[*:1] O=C(CN[C@@H](c1ccccc1)[*:1])NC1CCOCC1
CCc1ccc(O)c(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 FC(F)(F)[*:1] CCc1ccc(O)c(c1)NC(=O)[C@H]1CCC[C@@H](C1)[*:1]
Cc1cccc(CN2C[C@H](c3nc(-c4ccccn4)no3)CC2=O)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)CN1C[C@@H](CC1=O)c1nc(no1)[*:1]
Cc1cccc(CN2C[C@H](c3nc(-c4ccccn4)no3)CC2=O)c1 Cc1cccc(c1)[*:1] O=C1C[C@H](CN1C[*:1])c1nc(no1)-c1ccccn1
Cc1cccc(CN2C[C@H](c3nc(-c4ccccn4)no3)CC2=O)c1 Cc1cccc(c1)C[*:1] O=C1C[C@H](CN1[*:1])c1nc(no1)-c1ccccn1
COC(=O)c1c(NCc2ccco2)c2cccc(Cl)c2[nH]c1=O c1coc(c1)C[*:1] COC(=O)c1c(N[*:1])c2cccc(Cl)c2[nH]c1=O
COC(=O)c1c(NCc2ccco2)c2cccc(Cl)c2[nH]c1=O c1coc(c1)CN[*:1] COC(=O)c1c(c2cccc(Cl)c2[nH]c1=O)[*:1]
COC(=O)c1c(NCc2ccco2)c2cccc(Cl)c2[nH]c1=O c1coc(c1)[*:1] COC(=O)c1c(NC[*:1])c2cccc(Cl)c2[nH]c1=O
COC(=O)c1c(NCc2ccco2)c2cccc(Cl)c2[nH]c1=O COC(=O)[*:1] O=c1[nH]c2c(Cl)cccc2c(NCc2ccco2)c1[*:1]
O=C1C[C@@H](c2ccc(O)cc2)c2cnn(-c3ccc(F)cc3)c2N1 Oc1ccc(cc1)[*:1] O=C1C[C@@H](c2cnn(-c3ccc(F)cc3)c2N1)[*:1]
O=C1C[C@@H](c2ccc(O)cc2)c2cnn(-c3ccc(F)cc3)c2N1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](c2ccc(O)cc2)c2cnn(c2N1)[*:1]
CC(C)c1nn(C)c(Cl)c1[C@@H](O)Cc1cc(F)ccc1F CC(C)[*:1] Cn1nc(c(c1Cl)[C@@H](O)Cc1cc(F)ccc1F)[*:1]
CCCC(=O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1 CCC[*:1] O=C(C(=O)[*:1])N1CCc2nnc(CCc3ccccc3)n2CC1
CCCC(=O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1 c1ccc(cc1)C[*:1] CCCC(=O)C(=O)N1CCc2nnc(C[*:1])n2CC1
CCCC(=O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1 c1ccc(cc1)CC[*:1] CCCC(=O)C(=O)N1CCc2nnc(n2CC1)[*:1]
CCCC(=O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1 c1ccc(cc1)[*:1] CCCC(=O)C(=O)N1CCc2nnc(CC[*:1])n2CC1
CCCCS(=O)(=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 CCCCS(=O)(=O)C[*:1] c1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
CCCCS(=O)(=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 CCC[*:1] O=S(=O)(Cc1cn(nc1-c1ccccc1)-c1ccccc1)C[*:1]
CCCCS(=O)(=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CCCCS(=O)(=O)Cc1cn(nc1[*:1])-c1ccccc1
CCCCS(=O)(=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 CCCCS(=O)(=O)[*:1] c1ccc(cc1)-c1nn(cc1C[*:1])-c1ccccc1
CCCCS(=O)(=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CCCCS(=O)(=O)Cc1cn(nc1-c1ccccc1)[*:1]
CCCCS(=O)(=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 CCCC[*:1] O=S(=O)(Cc1cn(nc1-c1ccccc1)-c1ccccc1)[*:1]
COC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)[C@@H](C)O[*:1]
COC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 COC(=O)[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(CC1)[*:1]
N#CC(C#N)=CN[C@@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] N#CC(C#N)=CN[C@@H](c1ccc(F)cc1)[*:1]
COCc1cccc(CNC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1 COCc1cccc(c1)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)NC[*:1])c(C)c1
COCc1cccc(CNC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1 Cc1cc(C)c(c(C)c1)[*:1] COCc1cccc(c1)CNC(=O)NCC(=O)N[*:1]
COCc1cccc(CNC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1 COC[*:1] Cc1cc(C)c(NC(=O)CNC(=O)NCc2cccc(c2)[*:1])c(C)c1
C[C@@H](Sc1nnc(N)s1)C(=O)NCc1ccc2c(c1)OCO2 Nc1nnc(s1)[*:1] C[C@@H](S[*:1])C(=O)NCc1ccc2OCOc2c1
C[C@@H](Sc1nnc(N)s1)C(=O)NCc1ccc2c(c1)OCO2 Nc1nnc(S[*:1])s1 C[C@@H](C(=O)NCc1ccc2OCOc2c1)[*:1]
Cc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)cc1C CC(C)NC(=O)[*:1] Cc1ccc(cc1C)C(=O)N1C[C@@H]([NH3+])C[C@@H]1[*:1]
Cc1ccc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)cc1C CC(C)[*:1] Cc1ccc(cc1C)C(=O)N1C[C@@H]([NH3+])C[C@H]1C(=O)N[*:1]
CO[C@H](C)C(=O)N1CCC(c2nc3ccccc3s2)CC1 CO[C@H](C)[*:1] O=C(N1CCC(CC1)c1nc2ccccc2s1)[*:1]
CNC(=O)c1nc(CN2CCO[C@@H](Cc3ccc(F)cc3)C2)no1 CNC(=O)[*:1] Fc1ccc(cc1)C[C@H]1CN(CCO1)Cc1noc(n1)[*:1]
CNC(=O)c1nc(CN2CCO[C@@H](Cc3ccc(F)cc3)C2)no1 Fc1ccc(cc1)[*:1] CNC(=O)c1nc(CN2CCO[C@H](C2)C[*:1])no1
CNC(=O)c1nc(CN2CCO[C@@H](Cc3ccc(F)cc3)C2)no1 Fc1ccc(cc1)C[*:1] CNC(=O)c1nc(CN2CCO[C@@H](C2)[*:1])no1
CCOC(=O)[C@H](C)c1nc(Cc2ccc(C)c(C)c2)no1 CCOC(=O)[C@H](C)[*:1] Cc1ccc(cc1C)Cc1noc(n1)[*:1]
CCOC(=O)[C@H](C)c1nc(Cc2ccc(C)c(C)c2)no1 CCOC(=O)[*:1] Cc1ccc(cc1C)Cc1noc(n1)[C@@H](C)[*:1]
CCOC(=O)c1c(NC(=O)Cn2nc(C)cc2C)sc(C)c1C Cc1cc(C)n(n1)[*:1] CCOC(=O)c1c(NC(=O)C[*:1])sc(C)c1C
CCOC(=O)c1c(NC(=O)Cn2nc(C)cc2C)sc(C)c1C CCOC(=O)[*:1] Cc1cc(C)n(CC(=O)Nc2sc(C)c(C)c2[*:1])n1
CCO[C@H](C)c1noc(CN2CCN(C(=O)c3ccc(C)o3)CC2)n1 CCO[*:1] Cc1ccc(o1)C(=O)N1CCN(CC1)Cc1nc(no1)[C@@H](C)[*:1]
CCO[C@H](C)c1noc(CN2CCN(C(=O)c3ccc(C)o3)CC2)n1 Cc1ccc(o1)[*:1] CCO[C@H](C)c1noc(CN2CCN(CC2)C(=O)[*:1])n1
CCCc1cc(NC(=O)[C@@H](C)c2cccc(F)c2)n(C)n1 Fc1cccc(c1)[*:1] CCCc1cc(NC(=O)[C@@H](C)[*:1])n(C)n1
CCCc1cc(NC(=O)[C@@H](C)c2cccc(F)c2)n(C)n1 CCC[*:1] C[C@H](C(=O)Nc1cc(nn1C)[*:1])c1cccc(F)c1
COC(=O)CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 COC(=O)[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
COC(=O)CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 COC(=O)CNC(=O)[*:1] O=S(=O)(/C=C/c1ccccc1)N1CCC(CC1)[*:1]
COC(=O)CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 COC(=O)CNC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)CNC(=O)C1CCN(CC1)S(=O)(=O)C=C[*:1]
COC(=O)CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 COC(=O)C[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
CC[C@@]1(c2ccc(Br)cc2)C[NH+]=C(N)N1C1CCCC1 C1CCC(C1)[*:1] CC[C@]1(C[NH+]=C(N)N1[*:1])c1ccc(Br)cc1
CC(C)[C@@H](C)OC(=O)c1ncn(-c2ccccc2)n1 CC(C)[C@@H](C)[*:1] O=C(O[*:1])c1ncn(n1)-c1ccccc1
CC(C)[C@@H](C)OC(=O)c1ncn(-c2ccccc2)n1 CC(C)[*:1] C[C@@H](OC(=O)c1ncn(n1)-c1ccccc1)[*:1]
CC(C)[C@@H](C)OC(=O)c1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)[C@@H](C)OC(=O)c1ncn(n1)[*:1]
Cc1nc(OC(C)C)cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)n1 CC(C)O[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O
Cc1nc(OC(C)C)cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)n1 CC(C)[*:1] Cc1nc(cc(n1)N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O)O[*:1]
CNS(=O)(=O)c1cccc(C(=O)N2CCC([NH+](C)C)CC2)c1 CNS(=O)(=O)[*:1] C[NH+](C)C1CCN(CC1)C(=O)c1cccc(c1)[*:1]
Cc1ccc(-n2c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nc3ccccc3c2=O)nc1 Cc1ccc(nc1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CC(C)NC(=O)CCN1CCO[C@H](CNc2cccn[nH+]2)C1 CC(C)[*:1] O=C(CCN1CCO[C@H](CNc2cccn[nH+]2)C1)N[*:1]
CC(C)NC(=O)CCN1CCO[C@H](CNc2cccn[nH+]2)C1 CC(C)NC(=O)C[*:1] c1cn[nH+]c(c1)NC[C@@H]1CN(CCO1)C[*:1]
CC(C)NC(=O)CCN1CCO[C@H](CNc2cccn[nH+]2)C1 CC(C)NC(=O)[*:1] c1cn[nH+]c(c1)NC[C@@H]1CN(CCO1)CC[*:1]
O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@H]1CCCOC1 C1COC[C@H](C1)[*:1] O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[*:1]
O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@H]1CCCOC1 c1ccc(cc1)[*:1] O=C(N[C@@H](c1cccc(F)c1)[*:1])[C@H]1CCCOC1
O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@H]1CCCOC1 Fc1cccc(c1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])[C@H]1CCCOC1
CNC(=O)C[NH+]1CCC(CN(C)c2cc[nH+]c3cc(F)ccc23)CC1 CNC(=O)C[*:1] CN(CC1CC[NH+](CC1)[*:1])c1cc[nH+]c2cc(F)ccc12
CNC(=O)C[NH+]1CCC(CN(C)c2cc[nH+]c3cc(F)ccc23)CC1 CNC(=O)[*:1] CN(CC1CC[NH+](CC1)C[*:1])c1cc[nH+]c2cc(F)ccc12
CCC[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)[C@H]1CC[NH2+]C[C@@H]1[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCc1nn(C)cc1NC(=O)C(=O)N[C@@H](C)C[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(C)cc1C CCc1nn(C)cc1[*:1] Cc1ccc(C[C@H](C)NC(=O)C(=O)N[*:1])c(C)c1
CNC(=O)C1CCN(C(=O)Nc2ccc(SC(F)F)cc2)CC1 FC(F)S[*:1] CNC(=O)C1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)C1CCN(C(=O)Nc2ccc(SC(F)F)cc2)CC1 FC(F)[*:1] CNC(=O)C1CCN(CC1)C(=O)Nc1ccc(cc1)S[*:1]
CNC(=O)C1CCN(C(=O)Nc2ccc(SC(F)F)cc2)CC1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)SC(F)F)N1CCC(CC1)[*:1]
COc1ccccc1CN1C[C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)CCC1=O O=C1CCCN1[*:1] COc1ccccc1CN1C[C@H](CCC1=O)C(=O)NCc1ccc(cc1)[*:1]
COc1ccccc1CN1C[C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)CCC1=O COc1ccccc1C[*:1] O=C(NCc1ccc(cc1)N1CCCC1=O)[C@H]1CCC(=O)N(C1)[*:1]
COc1ccccc1CN1C[C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)CCC1=O COc1ccccc1[*:1] O=C(NCc1ccc(cc1)N1CCCC1=O)[C@H]1CCC(=O)N(C1)C[*:1]
CCC[C@@H](C#N)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C Cc1ccc(cc1)[*:1] CCC[C@@H](C#N)NC(=O)[C@@H](NC(=O)[*:1])C(C)C
CCC[C@@H](C#N)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C CCC[*:1] Cc1ccc(cc1)C(=O)N[C@H](C(=O)N[C@H](C#N)[*:1])C(C)C
CCC[C@@H](C#N)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C CC(C)[*:1] CCC[C@@H](C#N)NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)[*:1]
CCn1c([C@H](C)[NH2+]Cc2nc(C)c(C)s2)nc2ccccc21 Cc1nc(sc1C)[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+]C[*:1]
Cc1cc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1F NS(=O)(=O)[*:1] Cc1cc(ccc1F)NC(=O)N1CCN(CC1)CC[*:1]
Cc1cc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1F NS(=O)(=O)C[*:1] Cc1cc(ccc1F)NC(=O)N1CCN(CC1)C[*:1]
Cc1cc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1F NS(=O)(=O)CC[*:1] Cc1cc(ccc1F)NC(=O)N1CCN(CC1)[*:1]
CCOCCc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)s1 CCOCC[*:1] O=C(Nc1nnc(s1)[*:1])C1CCN(CC1)C(=O)c1ccccc1F
CCOCCc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)s1 Fc1ccccc1[*:1] CCOCCc1nnc(NC(=O)C2CCN(CC2)C(=O)[*:1])s1
CCOCCc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)s1 CCOC[*:1] O=C(Nc1nnc(C[*:1])s1)C1CCN(CC1)C(=O)c1ccccc1F
CCOCCc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)s1 CCO[*:1] O=C(Nc1nnc(CC[*:1])s1)C1CCN(CC1)C(=O)c1ccccc1F
O=C(Cn1cc(NCc2ccc(-n3ccnc3)cc2)cn1)N1CCOCC1 c1cn(cn1)[*:1] O=C(Cn1cc(cn1)NCc1ccc(cc1)[*:1])N1CCOCC1
O=C(Cn1cc(NCc2ccc(-n3ccnc3)cc2)cn1)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1cn(cn1)-c1ccc(cc1)CNc1cnn(c1)C[*:1]
O=C(Cn1cc(NCc2ccc(-n3ccnc3)cc2)cn1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 c1cn(cn1)-c1ccc(cc1)CNc1cnn(c1)[*:1]
COc1ccccc1CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O COc1ccccc1[*:1] O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC[*:1]
C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)[C@H]1COc2ccccc2O1 O=C(N[*:1])c1ccc(Br)cc1 C[C@H](NC(=O)c1ccc(cc1)[*:1])[C@H]1COc2ccccc2O1
C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)[C@H]1COc2ccccc2O1 Brc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)[*:1])[C@H]1COc2ccccc2O1
C/C(=N\NC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2)c1ccncc1 c1cc(ccn1)[*:1] CC(=NNC(=O)[C@@H](C)Oc1ccc2OCOc2c1)[*:1]
CC(C)(C[NH+]1C[C@H]2CCC[C@@H]2C1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(C[NH+]1C[C@H]2CCC[C@@H]2C1)[*:1]
Cc1ccsc1CNC(=O)c1sccc1C#CCCO Cc1ccsc1[*:1] O=C(NC[*:1])c1sccc1C#CCCO
Cc1ccsc1CNC(=O)c1sccc1C#CCCO OCCC#C[*:1] Cc1ccsc1CNC(=O)c1sccc1[*:1]
Cc1ccsc1CNC(=O)c1sccc1C#CCCO OCC[*:1] Cc1ccsc1CNC(=O)c1sccc1C#C[*:1]
CCC[NH2+][C@H]1CCC[C@H](N(C)[C@@H]2CCCN(C)C2)C1 CCC[*:1] CN1CCC[C@H](C1)N(C)[C@H]1CCC[C@@H](C1)[NH2+][*:1]
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2ccc(-n3cccn3)cc2)O1 CN(C)C(=O)[*:1] O=C(NCc1ccc(cc1)-n1cccn1)NC[C@H]1CC[C@H](O1)[*:1]
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2ccc(-n3cccn3)cc2)O1 c1cnn(c1)[*:1] CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2ccc(cc2)[*:1])O1
COc1cccc(-c2nn3c(=O)cc(CN4CCN(C(=O)Nc5ccc(F)cc5)CC4)nc3s2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(F)cc1)N1CCN(CC1)Cc1cc(=O)n2nc(sc2n1)[*:1]
COc1cccc(-c2nn3c(=O)cc(CN4CCN(C(=O)Nc5ccc(F)cc5)CC4)nc3s2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)-c1nn2c(=O)cc(CN3CCN(CC3)C(=O)N[*:1])nc2s1
CC1=CC(N)=[NH+]CN1C(C)C CC(C)[*:1] CC1=CC(N)=[NH+]CN1[*:1]
O=C(C1CCCC1)N1CCC(c2nnc(C3CC3)o2)CC1 C1CC1[*:1] O=C(C1CCCC1)N1CCC(CC1)c1nnc(o1)[*:1]
O=C(C1CCCC1)N1CCC(c2nnc(C3CC3)o2)CC1 C1CCC(C1)[*:1] O=C(N1CCC(CC1)c1nnc(o1)C1CC1)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1S(C)(=O)=O CC(=O)N[*:1] COc1ccc(cc1NC(=O)c1ccccc1S(C)(=O)=O)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] COc1ccc(cc1NC(=O)c1ccccc1[*:1])NC(C)=O
Cc1cnn(-c2ccccc2)c1NC(=O)CCNC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1cnn(-c2ccccc2)c1NC(=O)CCNC(=O)O[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)CCNC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] Cc1cnn(-c2ccccc2)c1NC(=O)CC[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)CCNC(=O)OC(C)(C)C c1ccc(cc1)[*:1] Cc1cnn(c1NC(=O)CCNC(=O)OC(C)(C)C)[*:1]
C[C@@H](NC(=O)CCS(=O)(=O)[C@H](C)c1ccc(Cl)cc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] C[C@H](c1ccc(Cl)cc1)S(=O)(=O)CCC(=O)N[*:1]
C[C@@H](NC(=O)CCS(=O)(=O)[C@H](C)c1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCS(=O)(=O)[C@H](C)[*:1])c1ccccc1
C[C@@H](NC(=O)CCS(=O)(=O)[C@H](C)c1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](c1ccc(Cl)cc1)S(=O)(=O)CCC(=O)N[C@H](C)[*:1]
CC(=O)NCCc1ccc(C(=O)CSc2cc(C)c3ccccc3n2)cc1 CC(=O)NC[*:1] Cc1cc(nc2ccccc12)SCC(=O)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc(C(=O)CSc2cc(C)c3ccccc3n2)cc1 CC(=O)NCC[*:1] Cc1cc(nc2ccccc12)SCC(=O)c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc(C(=O)CSc2cc(C)c3ccccc3n2)cc1 CC(=O)N[*:1] Cc1cc(nc2ccccc12)SCC(=O)c1ccc(cc1)CC[*:1]
CC/[NH+]=C(/NCc1cnn(C)c1)N1CCC[C@H](C)C1 Cn1cc(cn1)[*:1] CC/[NH+]=C(/NC[*:1])N1CCC[C@H](C)C1
Nc1nc(Cl)nc(C(F)(F)F)n1 FC(F)(F)[*:1] Nc1nc(Cl)nc(n1)[*:1]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] O=C([O-])C[*:1] O=C1C(=O)N(CC[*:1])[C@H](/C1=C(\O)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] O=C([O-])CC[*:1] O=C1C(=O)N(C[*:1])[C@H](/C1=C(\O)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] O=C([O-])CCCN1C(=O)C(=O)/C(=C(/O)[*:1])[C@@H]1c1ccccc1[N+](=O)[O-]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] O=C([O-])CCC[*:1] O=C1C(=O)N([C@H](/C1=C(\O)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-])[*:1]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] O=C([O-])CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1[*:1]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] O=C([O-])[*:1] O=C1C(=O)N(CCC[*:1])[C@H](/C1=C(\O)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C([O-])CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1[*:1]
C[C@@H]([NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 CS(=O)(=O)N[*:1] C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@@H]([NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H]([NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O)c1ccc(cc1)[*:1]
Cc1nc(C(C)C)sc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 CC(C)[*:1] Cc1nc(sc1C(=O)Nc1ccc2nc([nH]c2c1)[C@@H]1CCCO1)[*:1]
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC(c2nnc3ccccn23)CC1 c1ccn2c(nnc2c1)[*:1] Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC(CC1)[*:1]
COc1ccc(CCC2CCN(C(=O)c3cc(C(C)C)c4nncn4n3)CC2)cc1 COc1ccc(cc1)CC[*:1] CC(C)c1cc(nn2cnnc12)C(=O)N1CCC(CC1)[*:1]
COc1ccc(CCC2CCN(C(=O)c3cc(C(C)C)c4nncn4n3)CC2)cc1 CC(C)[*:1] COc1ccc(cc1)CCC1CCN(CC1)C(=O)c1cc(c2nncn2n1)[*:1]
COc1ccc(CCC2CCN(C(=O)c3cc(C(C)C)c4nncn4n3)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)c1cc(nn2cnnc12)C(=O)N1CCC(CC1)CC[*:1]
COc1ccc(CCC2CCN(C(=O)c3cc(C(C)C)c4nncn4n3)CC2)cc1 COc1ccc(cc1)C[*:1] CC(C)c1cc(nn2cnnc12)C(=O)N1CCC(CC1)C[*:1]
Cc1cc(SCC(=O)Nc2ccnn2C2CCCC2)nc2c(C)cccc12 C1CCC(C1)[*:1] Cc1cc(nc2c(C)cccc12)SCC(=O)Nc1ccnn1[*:1]
Cc1ncccc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 Cc1ncccc1[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)C(=O)N[*:1]
CN(Cc1ccccc1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 c1ccc(cc1)C[*:1] CN([C@@H](C(=O)NC1CC1)c1ccc(F)cc1)[*:1]
CN(Cc1ccccc1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CN(C[*:1])[C@@H](C(=O)NC1CC1)c1ccc(F)cc1
CN(Cc1ccccc1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1ccccc1)[C@@H](C(=O)NC1CC1)[*:1]
CN(Cc1ccccc1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 O=C(NC1CC1)[*:1] CN(Cc1ccccc1)[C@@H](c1ccc(F)cc1)[*:1]
CN(Cc1ccccc1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 C1CC1[*:1] CN(Cc1ccccc1)[C@@H](C(=O)N[*:1])c1ccc(F)cc1
O=C(NCC1(c2ccncc2)CC1)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC1(CC1)c1ccncc1)[C@H](O)[*:1]
O=C(NCC1(c2ccncc2)CC1)[C@H](O)c1ccccc1 c1cc(ccn1)[*:1] O=C(NCC1(CC1)[*:1])[C@H](O)c1ccccc1
O=C(/C=C/c1c(Cl)cccc1Cl)NCc1ccc2c(c1)OCCO2 Clc1cccc(Cl)c1[*:1] O=C(C=C[*:1])NCc1ccc2OCCOc2c1
O=C(CCl)N(Cc1ccco1)C1=CCCCC1 c1coc(c1)[*:1] O=C(CCl)N(C[*:1])C1=CCCCC1
C[C@@H]1[NH+]=c2ccccc2=C1SCCNC(=O)c1ccc(N2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] C[C@@H]1[NH+]=c2ccccc2=C1SCCNC(=O)c1ccc(cc1)[*:1]
CC(=O)c1cccc(NC(=O)CCCOc2cc(C)ccc2C)c1 CC(=O)[*:1] Cc1ccc(C)c(c1)OCCCC(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)CCCOc2cc(C)ccc2C)c1 Cc1ccc(C)c(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)CCCO[*:1]
Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(C1CC1)CO2 Fc1cccc(Cl)c1[*:1] Cc1c2OCN(Cc2cc2C(=O)C(=C[*:1])Oc21)C1CC1
Cc1c2c(cc3c1O/C(=C\c1c(F)cccc1Cl)C3=O)CN(C1CC1)CO2 C1CC1[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3c(F)cccc3Cl)Oc21)[*:1]
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc12 Fc1ccc(cc1)[*:1] Cc1nn(C[*:1])c2sc(cc12)C(=O)NC[C@H](c1ccccc1)[NH+](C)C
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc12 Fc1ccc(cc1)C[*:1] Cc1nn(c2sc(cc12)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[*:1]
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc12 c1ccc(cc1)[*:1] Cc1nn(Cc2ccc(F)cc2)c2sc(cc12)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccccc1Cl CN(C)C(=O)[*:1] Cc1c(sc2c1c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccccc1Cl)[*:1]
Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1c(sc2c1c(=O)n(-c1ccc(Cl)cc1)c(=O)n2C[*:1])C(=O)N(C)C
Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccccc1Cl Clc1ccc(cc1)[*:1] Cc1c(sc2c1c(=O)n(c(=O)n2Cc1ccccc1Cl)[*:1])C(=O)N(C)C
Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccccc1Cl Clc1ccccc1C[*:1] Cc1c(sc2c1c(=O)n(-c1ccc(Cl)cc1)c(=O)n2[*:1])C(=O)N(C)C
Cc1cccc(C)c1NC(=O)C(=O)NCC[C@@H](O)c1cccc2ccccc12 Cc1cccc(C)c1[*:1] O=C(NCC[C@@H](O)c1cccc2ccccc12)C(=O)N[*:1]
COc1ccc(C(C)(C)CC[NH2+]C(C)C)cc1Cl CC(C)[*:1] COc1ccc(cc1Cl)C(C)(C)CC[NH2+][*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC COc1ccc(cc1OC)[*:1] O=C1C[C@H](C2C(=O)C[C@H](CC=2N1)[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccc(cc1)[*:1]
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1 Clc1cccc2sc(nc12)[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccccn1)[*:1]
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1 CCS(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccccn1)c1nc2c(Cl)cccc2s1
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1 c1ccc(nc1)[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)N(C[*:1])c1nc2c(Cl)cccc2s1
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1 c1ccc(C[*:1])nc1 CCS(=O)(=O)c1ccc(cc1)C(=O)N(c1nc2c(Cl)cccc2s1)[*:1]
C[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1nncn1C FC(F)(F)[*:1] C[C@H](NC(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1)c1nncn1C
C[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1nncn1C C[C@H](c1nncn1C)[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)N[*:1]
C[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1nncn1C C1CC1[*:1] C[C@H](NC(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1])c1nncn1C
C[C@H](NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1CNC(=O)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(F)cc2F)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCN1S(=O)(=O)[*:1])C(=O)Nc1ccc(F)cc1F
CCOC(=O)C1CCN(C(=O)c2ccc(-n3nc(C(F)(F)F)c4c3-c3ccoc3CC4)cc2)CC1 FC(F)(F)[*:1] CCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)-n1nc(c2CCc3occc3-c21)[*:1]
CCOC(=O)C1CCN(C(=O)c2ccc(-n3nc(C(F)(F)F)c4c3-c3ccoc3CC4)cc2)CC1 CCOC(=O)[*:1] O=C(c1ccc(cc1)-n1nc(c2CCc3occc3-c21)C(F)(F)F)N1CCC(CC1)[*:1]
CC(=O)Nc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 CC(=O)N[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)[*:1]
Cc1ncsc1CCC1(c2ccccc2F)C[NH2+]C1 Cc1ncsc1[*:1] Fc1ccccc1C1(CC[*:1])C[NH2+]C1
CC(=O)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(Nc1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1)[*:1]
CC(=O)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N1CCOCC1)[*:1]
CC(=O)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1 CC(=O)N[*:1] O=C(Nc1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1
CCn1c(C)nc2cc(C(=O)NNC(=O)CCOc3cc(C)ccc3C)ccc21 Cc1ccc(C)c(c1)[*:1] CCn1c(C)nc2cc(ccc21)C(=O)NNC(=O)CCO[*:1]
CCn1c(C)nc2cc(C(=O)NNC(=O)CCOc3cc(C)ccc3C)ccc21 Cc1ccc(C)c(c1)O[*:1] CCn1c(C)nc2cc(ccc21)C(=O)NNC(=O)CC[*:1]
COc1ccccc1NC(=O)Nc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)Nc1nnc(s1)[*:1]
C[C@H](NC(=O)c1cccnc1OCC(F)F)[C@H]1COc2ccccc21 FC(F)CO[*:1] C[C@H](NC(=O)c1cccnc1[*:1])[C@H]1COc2ccccc21
C[C@H](NC(=O)c1cccnc1OCC(F)F)[C@H]1COc2ccccc21 FC(F)C[*:1] C[C@H](NC(=O)c1cccnc1O[*:1])[C@H]1COc2ccccc21
C[C@H](NC(=O)c1cccnc1OCC(F)F)[C@H]1COc2ccccc21 FC(F)[*:1] C[C@H](NC(=O)c1cccnc1OC[*:1])[C@H]1COc2ccccc21
COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] COC(=O)[*:1] O=S(=O)(Nc1cccc(Cl)c1)c1ccc([O-])c(c1)[*:1]
COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] Clc1cccc(c1)[*:1] COC(=O)c1cc(ccc1[O-])S(=O)(=O)N[*:1]
O=C(COc1ccccc1)NCCN1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CO[*:1])NCCN1CCO[C@H](C1)c1ccccc1
O=C(COc1ccccc1)NCCN1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(COc1ccccc1)NCCN1CCO[C@@H](C1)[*:1]
O=C(COc1ccccc1)NCCN1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)O[*:1] O=C(C[*:1])NCCN1CCO[C@H](C1)c1ccccc1
O=C(COc1ccccc1)NCCN1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)OC[*:1] O=C(NCCN1CCO[C@H](C1)c1ccccc1)[*:1]
CCC[C@@H](C)N1CC2(CCN(C(=O)Cn3nc(C)cc3C)CC2)OC1=O Cc1cc(C)n(n1)[*:1] CCC[C@@H](C)N1CC2(CCN(CC2)C(=O)C[*:1])OC1=O
CCC[C@@H](C)N1CC2(CCN(C(=O)Cn3nc(C)cc3C)CC2)OC1=O Cc1cc(C)n(C[*:1])n1 CCC[C@@H](C)N1CC2(CCN(CC2)C(=O)[*:1])OC1=O
CCC[C@@H](C)N1CC2(CCN(C(=O)Cn3nc(C)cc3C)CC2)OC1=O CCC[*:1] Cc1cc(C)n(CC(=O)N2CCC3(CC2)CN(C(=O)O3)[C@H](C)[*:1])n1
Cc1cc(C)nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)n1 Fc1ccccc1[*:1] Cc1cc(C)nc(CCNC(=O)C[C@@H]2C(=O)NCCN2C[*:1])n1
Cc1cc(C)nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)n1 Cc1cc(C)nc(C[*:1])n1 O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NC[*:1]
Cc1cc(C)nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)n1 Fc1ccccc1C[*:1] Cc1cc(C)nc(CCNC(=O)C[C@@H]2C(=O)NCCN2[*:1])n1
Cc1cc(C)nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)n1 Cc1cc(C)nc(n1)[*:1] O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCC[*:1]
CCN(C)C(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O CCN(C)C(=O)[*:1] Cc1ccc(cc1Cl)-n1nc(c(=O)n(Cc2ccc(cc2)C(F)(F)F)c1=O)[*:1]
CCN(C)C(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O FC(F)(F)[*:1] CCN(C)C(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2ccc(cc2)[*:1])c1=O
CCN(C)C(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O FC(F)(F)c1ccc(cc1)[*:1] CCN(C)C(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(C[*:1])c1=O
CCN(C)C(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O Cc1ccc(cc1Cl)[*:1] CCN(C)C(=O)c1nn(c(=O)n(Cc2ccc(cc2)C(F)(F)F)c1=O)[*:1]
CCN(C)C(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O FC(F)(F)c1ccc(cc1)C[*:1] CCN(C)C(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(c1=O)[*:1]
O=C1[C@@H]([NH2+]C[C@@H]2CC=CCC2)CCCN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@H](CCCN1[*:1])[NH2+]C[C@@H]1CC=CCC1
O=C1[C@@H]([NH2+]C[C@@H]2CC=CCC2)CCCN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCCN1C[*:1])[NH2+]C[C@@H]1CC=CCC1
CNS(=O)(=O)CC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CNS(=O)(=O)C[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
CNS(=O)(=O)CC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CNS(=O)(=O)[*:1] O=C(C[*:1])N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
Cc1nc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cs1 Cc1nc(cs1)[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)[*:1])NCc1ccccc1Cl
Cc1nc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cs1 Clc1ccccc1C[*:1] Cc1nc(cs1)C(=O)N1CCC[C@@H](CCC(=O)N[*:1])C1
Cc1nc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cs1 Clc1ccccc1[*:1] Cc1nc(cs1)C(=O)N1CCC[C@@H](CCC(=O)NC[*:1])C1
Cc1cc(NC(=O)COc2ccc3ccccc3c2)n(-c2nc(-c3ccco3)cs2)n1 c1ccc2cc(ccc2c1)[*:1] Cc1cc(NC(=O)CO[*:1])n(n1)-c1nc(cs1)-c1ccco1
Cc1cc(NC(=O)COc2ccc3ccccc3c2)n(-c2nc(-c3ccco3)cs2)n1 c1coc(c1)[*:1] Cc1cc(NC(=O)COc2ccc3ccccc3c2)n(n1)-c1nc(cs1)[*:1]
Cc1cc(NC(=O)COc2ccc3ccccc3c2)n(-c2nc(-c3ccco3)cs2)n1 c1coc(c1)-c1csc(n1)[*:1] Cc1cc(NC(=O)COc2ccc3ccccc3c2)n(n1)[*:1]
Cc1nn(-c2ccccc2)c2c1[C@H](c1cnn(C)c1)SCC(O)=N2 c1ccc(cc1)[*:1] Cc1nn(c2N=C(O)CS[C@@H](c3cnn(C)c3)c12)[*:1]
Cc1nn(-c2ccccc2)c2c1[C@H](c1cnn(C)c1)SCC(O)=N2 Cn1cc(cn1)[*:1] Cc1nn(-c2ccccc2)c2N=C(O)CS[C@@H](c12)[*:1]
CCc1ccccc1NC(=O)c1cc(-c2ccccc2O)on1 Oc1ccccc1[*:1] CCc1ccccc1NC(=O)c1cc(on1)[*:1]
COc1ccc(CNC(=O)Cn2nc3ccc(-c4ccccc4)nn3c2=O)cc1 COc1ccc(cc1)C[*:1] O=C(Cn1nc2ccc(nn2c1=O)-c1ccccc1)N[*:1]
COc1ccc(CNC(=O)Cn2nc3ccc(-c4ccccc4)nn3c2=O)cc1 COc1ccc(cc1)[*:1] O=C(Cn1nc2ccc(nn2c1=O)-c1ccccc1)NC[*:1]
COc1ccc(CNC(=O)Cn2nc3ccc(-c4ccccc4)nn3c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)Cn1nc2ccc(nn2c1=O)[*:1]
Cc1cnc(C(C)(C)NC(=O)c2ccc3ccccc3n2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)c1ccc2ccccc2n1)[*:1]
O=C(Nc1nc(-c2ccccc2)cs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1
O=C(Nc1nc(-c2ccccc2)cs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccccc1)C1CCN(CC1)C(=O)[*:1]
CSC1(CNC(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)CCOCC1 Fc1ccc(cc1)[*:1] CSC1(CCOCC1)CNC(=O)N[C@@H](C[*:1])C(C)C
CSC1(CNC(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)CCOCC1 CC(C)[*:1] CSC1(CCOCC1)CNC(=O)N[C@@H](Cc1ccc(F)cc1)[*:1]
CSC1(CNC(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)CCOCC1 Fc1ccc(cc1)C[*:1] CSC1(CCOCC1)CNC(=O)N[C@@H](C(C)C)[*:1]
CCCCc1nnc(NC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)s1 CCCCc1nnc(s1)[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(c1)N1CCCC1=O
CCCCc1nnc(NC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)s1 O=C1CCCN1[*:1] CCCCc1nnc(NC(=O)N[C@H](C)c2cccc(c2)[*:1])s1
CCCCc1nnc(NC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)s1 CCCC[*:1] C[C@@H](NC(=O)Nc1nnc(s1)[*:1])c1cccc(c1)N1CCCC1=O
CCCCc1nnc(NC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)s1 CCC[*:1] C[C@@H](NC(=O)Nc1nnc(C[*:1])s1)c1cccc(c1)N1CCCC1=O
CC[NH+](CC(=O)NC(C)C)Cc1ccc(Br)cc1F CC(C)NC(=O)[*:1] CC[NH+](Cc1ccc(Br)cc1F)C[*:1]
CC[NH+](CC(=O)NC(C)C)Cc1ccc(Br)cc1F CC(C)[*:1] CC[NH+](CC(=O)N[*:1])Cc1ccc(Br)cc1F
CCc1nc(=O)n([C@H]2CCCOC2)c(CC)c1CC(=O)[O-] O=C([O-])[*:1] CCc1nc(=O)n(c(CC)c1C[*:1])[C@H]1CCCOC1
CCc1nc(=O)n([C@H]2CCCOC2)c(CC)c1CC(=O)[O-] C1COC[C@H](C1)[*:1] CCc1nc(=O)n(c(CC)c1CC(=O)[O-])[*:1]
CCc1nc(=O)n([C@H]2CCCOC2)c(CC)c1CC(=O)[O-] O=C([O-])C[*:1] CCc1nc(=O)n(c(CC)c1[*:1])[C@H]1CCCOC1
Cc1cccc(N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1C)N1C(=O)C[C@H](N[*:1])C1=O
CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3cccc(Br)c3)CC2=O)cc1 Brc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3cccc(Br)c3)CC2=O)cc1 CC(=O)N[*:1] O=C(Nc1cccc(Br)c1)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CSc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cn1 Brc1c[nH]c(c1)[*:1] CSc1ccc(cn1)C(=O)NNC(=O)[*:1]
Cc1nnc(N(CCC(C)C)C(=O)[C@H](C)C2CC2)c2ccccc12 C1CC1[*:1] Cc1nnc(c2ccccc12)N(CCC(C)C)C(=O)[C@H](C)[*:1]
Cc1nnc(N(CCC(C)C)C(=O)[C@H](C)C2CC2)c2ccccc12 CC(C)[*:1] Cc1nnc(c2ccccc12)N(CC[*:1])C(=O)[C@H](C)C1CC1
Cc1nnc(N(CCC(C)C)C(=O)[C@H](C)C2CC2)c2ccccc12 CC(C)CC[*:1] Cc1nnc(c2ccccc12)N(C(=O)[C@H](C)C1CC1)[*:1]
Cc1nnc(N(CCC(C)C)C(=O)[C@H](C)C2CC2)c2ccccc12 CC(C)C[*:1] Cc1nnc(c2ccccc12)N(C[*:1])C(=O)[C@H](C)C1CC1
CC(C)c1nc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cs1 CC(C)c1nc(cs1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(cc1)NC(=O)NC1CC1
CC(C)c1nc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cs1 CC(C)[*:1] C[C@H]([NH2+]Cc1csc(n1)[*:1])c1ccc(cc1)NC(=O)NC1CC1
CC(C)c1nc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cs1 O=C(NC1CC1)N[*:1] CC(C)c1nc(cs1)C[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CC(C)c1nc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cs1 C1CC1[*:1] CC(C)c1nc(cs1)C[NH2+][C@@H](C)c1ccc(cc1)NC(=O)N[*:1]
C[C@@H]1CCCCN1C(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O Clc1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)Cn1cnc2onc(c2c1=O)[*:1]
C[C@@H]1CCCCN1C(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O C[C@@H]1CCCCN1C(=O)[*:1] O=c1c2c(noc2ncn1C[*:1])-c1ccc(Cl)cc1
Cc1nn(C)c(NS(=O)(=O)c2c[nH]cn2)c1N c1nc(c[nH]1)[*:1] Cc1nn(C)c(NS(=O)(=O)[*:1])c1N
Cc1c(Cl)cccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 Cc1c(Cl)cccc1[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 O=[N+]([O-])c1cccc(c1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccccc1F)[*:1]
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 O=[N+]([O-])[*:1] CC1NC(=O)N[C@H](C=1C(=O)Nc1ccccc1F)c1cccc(c1)[*:1]
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 Fc1ccccc1[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1cccc(c1)[N+](=O)[O-]
COc1cccc(CC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)c1 FC(F)(F)[*:1] COc1cccc(c1)CC(=O)N[C@@](C)(C(=O)[O-])[*:1]
C[S@@](=O)c1ccc(NC(=O)Cc2csc(-c3cnccn3)n2)cc1 c1cnc(cn1)[*:1] C[S@@](=O)c1ccc(cc1)NC(=O)Cc1csc(n1)[*:1]
COC(=O)c1sccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 COC(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccsc1[*:1]
COC(=O)c1sccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 COC(=O)c1sccc1[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)c1ccc(o1)[N+](=O)[O-])[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)c1ccc(o1)[*:1])-c1ncco1
COc1cccc2c1OC[C@@H](CNC(=O)Cc1csc(C(C)=O)c1)C2 CC(=O)c1cc(cs1)[*:1] COc1cccc2C[C@H](CNC(=O)C[*:1])COc21
COc1cccc2c1OC[C@@H](CNC(=O)Cc1csc(C(C)=O)c1)C2 CC(=O)[*:1] COc1cccc2C[C@H](CNC(=O)Cc3csc(c3)[*:1])COc21
CCNC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(CC)cc2)CC1 CCc1ccc(cc1)[*:1] CCNC(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
CCS[C@@H]1CCC[C@@H]1NC(=O)c1cnc(C)cn1 CCS[*:1] Cc1cnc(cn1)C(=O)N[C@H]1CCC[C@H]1[*:1]
CCC[C@@H](C#N)[C@@H](O)c1cc2c(cc1OCC)C[C@H](C)O2 CCO[*:1] CCC[C@@H](C#N)[C@@H](O)c1cc2O[C@@H](C)Cc2cc1[*:1]
CCC[C@@H](C#N)[C@@H](O)c1cc2c(cc1OCC)C[C@H](C)O2 CCC[*:1] CCOc1cc2C[C@H](C)Oc2cc1[C@H](O)[C@H](C#N)[*:1]
CCC[C@H](C[NH3+])[C@@](C)(O)C=O CCC[*:1] C[C@](O)(C=O)[C@@H](C[NH3+])[*:1]
CCSC[C@@H](C)N(C)C(=O)NCc1sc(C)nc1C CCS[*:1] Cc1nc(C)c(CNC(=O)N(C)[C@H](C)C[*:1])s1
CCSC[C@@H](C)N(C)C(=O)NCc1sc(C)nc1C CCSC[*:1] Cc1nc(C)c(CNC(=O)N(C)[C@H](C)[*:1])s1
Cc1nc(C)n([C@@H](C)CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)n1 Cc1nc(C)n(n1)[*:1] C[C@@H](CC(=O)Nc1ccc2OC(C)(C)Oc2c1)[*:1]
CC1(C)[C@@H](NC(=O)c2occc2Br)[C@H]2CCO[C@@H]21 Brc1ccoc1[*:1] CC1(C)[C@@H](NC(=O)[*:1])[C@H]2CCO[C@@H]21
N#CCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O N#CC[*:1] O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1[*:1]
C[C@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C[C@H](C)O1 c1ccc(cc1)C[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(=O)n(n1)[*:1]
C[C@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(=O)n(C[*:1])n1
CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 c1ccc2c(cccc2c1)C[*:1] CC(=O)N[C@@H](C(=O)N1CCN(CC1)C(=O)Nc1ccc(C)cc1)[*:1]
CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 c1ccc2c(cccc2c1)[*:1] CC(=O)N[C@@H](C[*:1])C(=O)N1CCN(CC1)C(=O)Nc1ccc(C)cc1
CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 CC(=O)N[*:1] Cc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc2ccccc12)[*:1]
CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)N[*:1]
CC(C)n1ccc(CCNC(=O)N[C@@H]2CCC[C@]2(C)CO)n1 CC(C)[*:1] C[C@]1(CO)CCC[C@H]1NC(=O)NCCc1ccn(n1)[*:1]
CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SC[*:1]
CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1S[*:1]
CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCC(=O)N1CCOCC1 Cc1ccc(C)c(c1)[*:1] CCn1c(CC(=O)N[*:1])nnc1SCC(=O)N1CCOCC1
Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 c1ccc(cc1)CC[*:1] Cc1cccc(c1)NC(=O)c1ccc(cc1)[C@H]1SCC(=O)N1[*:1]
Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)c1ccc(cc1)[C@H]1SCC(=O)N1C[*:1]
Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)c1ccc(cc1)[C@H]1SCC(=O)N1CC[*:1]
Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 Cc1cccc(c1)NC(=O)[*:1] O=C1CS[C@H](c2ccc(cc2)[*:1])N1CCc1ccccc1
Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)[C@H]1SCC(=O)N1CCc1ccccc1
C[C@H]1CC(C(=O)OC2CCC2)C[C@H](C)O1 C1CC(C1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)O[*:1]
CCOc1cc(C(=O)NCc2c(CC)nn(C)c2OC)ccn1 CCO[*:1] CCc1nn(C)c(OC)c1CNC(=O)c1ccnc(c1)[*:1]
C[C@H](NC(=O)COc1ccc(C#N)c(F)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)COc1ccc(C#N)c(F)c1)[*:1]
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)c1cccc(F)c1 COC(=O)[*:1] C[C@H](C(=O)N[C@H]1CCCC[C@@H]1[*:1])c1cccc(F)c1
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)c1cccc(F)c1 Fc1cccc(c1)[*:1] COC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[*:1]
CCOC(OCC)[C@@H](O)Cc1ccccn1 CCO[*:1] CCOC([C@@H](O)Cc1ccccn1)[*:1]
Cc1cccc(C(=O)N(C)Cc2nccn2CC(F)(F)F)c1C FC(F)(F)[*:1] Cc1cccc(C(=O)N(C)Cc2nccn2C[*:1])c1C
Cc1cccc(C(=O)N(C)Cc2nccn2CC(F)(F)F)c1C FC(F)(F)C[*:1] Cc1cccc(C(=O)N(C)Cc2nccn2[*:1])c1C
CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](C)c2c(C)noc2C)C1(CC)CC Cc1noc(C)c1[*:1] CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](C)[*:1])C1(CC)CC
CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](C)c2c(C)noc2C)C1(CC)CC CCO[*:1] CCC1(CC)[C@H](C[C@H]1[*:1])N(C)C(=O)[C@@H](C)c1c(C)noc1C
COc1ccc(NC(=O)CS[C@H]2N=C3N=NC(C)=C3C(=N)N2c2cc(Cl)ccc2C)c(OC)c1 COc1ccc(c(c1)OC)[*:1] CC1N=NC2=N[C@H](SCC(=O)N[*:1])N(C(=N)C=12)c1cc(Cl)ccc1C
COc1ccc(NC(=O)CS[C@H]2N=C3N=NC(C)=C3C(=N)N2c2cc(Cl)ccc2C)c(OC)c1 Cc1ccc(Cl)cc1[*:1] COc1ccc(NC(=O)CS[C@H]2N=C3N=NC(C)=C3C(=N)N2[*:1])c(c1)OC
COc1ccc([C@H](NC(=O)N[C@@H](CO)c2ccco2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H](CO)c1ccco1)N[C@H](C1CCOCC1)[*:1]
COc1ccc([C@H](NC(=O)N[C@@H](CO)c2ccco2)C2CCOCC2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@H](NC(=O)N[C@@H](CO)[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)N[C@@H](CO)c2ccco2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)N[C@@H](CO)c1ccco1)[*:1]
Fc1ccc([C@@H](C[NH2+]Cc2ccsc2)N2CCOCC2)cc1 Fc1ccc(cc1)[*:1] c1cc(cs1)C[NH2+]C[C@@H](N1CCOCC1)[*:1]
Fc1ccc([C@@H](C[NH2+]Cc2ccsc2)N2CCOCC2)cc1 c1cc(cs1)[*:1] Fc1ccc(cc1)[C@@H](C[NH2+]C[*:1])N1CCOCC1
Fc1ccc([C@@H](C[NH2+]Cc2ccsc2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Fc1ccc(cc1)[C@@H](C[NH2+]Cc1ccsc1)[*:1]
CSc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C(=O)N1CCCCC1 CC(=O)N[*:1] CSc1ccc(cc1C(=O)N1CCCCC1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CSc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CSc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(cc1)NC(C)=O
CSc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C(=O)N1CCCCC1 CC(=O)Nc1ccc(cc1)[*:1] CSc1ccc(cc1C(=O)N1CCCCC1)S(=O)(=O)N[*:1]
CCOc1ccc(CN(C)C(=O)/C=C/c2cccs2)cc1 C(=C[*:1])c1cccs1 CCOc1ccc(cc1)CN(C)C(=O)[*:1]
CCOc1ccc(CN(C)C(=O)/C=C/c2cccs2)cc1 CCO[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)/C=C/c1cccs1
CCOc1ccc(CN(C)C(=O)/C=C/c2cccs2)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)CN(C)C(=O)C=C[*:1]
CC1(C)CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC[S@]1=O Clc1ccc(s1)[*:1] CC1(C)CN(CC[S@]1=O)C(=O)c1cc(on1)[*:1]
CC(C)[NH2+]C[C@H](Cc1cscn1)c1cccc(Cl)c1 CC(C)[*:1] Clc1cccc(c1)[C@H](C[NH2+][*:1])Cc1cscn1
CC(C)[NH2+]C[C@H](Cc1cscn1)c1cccc(Cl)c1 c1nc(cs1)C[*:1] CC(C)[NH2+]C[C@H](c1cccc(Cl)c1)[*:1]
CC(C)[NH2+]C[C@H](Cc1cscn1)c1cccc(Cl)c1 c1nc(cs1)[*:1] CC(C)[NH2+]C[C@H](C[*:1])c1cccc(Cl)c1
N#C/C(=C/c1ccccn1)c1nn(-c2ccccc2)c(-n2cccc2)c1C#N c1ccc(nc1)[*:1] N#CC(=C[*:1])c1nn(-c2ccccc2)c(c1C#N)-n1cccc1
N#C/C(=C/c1ccccn1)c1nn(-c2ccccc2)c(-n2cccc2)c1C#N c1ccn(c1)[*:1] N#C/C(=C/c1ccccn1)c1nn(-c2ccccc2)c(c1C#N)[*:1]
N#C/C(=C/c1ccccn1)c1nn(-c2ccccc2)c(-n2cccc2)c1C#N c1ccc(cc1)[*:1] N#C/C(=C/c1ccccn1)c1nn(c(c1C#N)-n1cccc1)[*:1]
O=C(CSc1nnnn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 O=[N+]([O-])[*:1] O=C(CSc1nnnn1-c1ccc(cc1)[*:1])Nc1cccc(Cl)c1
O=C(CSc1nnnn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CSc1nnnn1-c1ccc(cc1)[N+](=O)[O-])N[*:1]
COC(=O)/C=C/c1ccc(S(=O)(=O)N(C2CCCC2)C2CC2)cc1 C1CC1[*:1] COC(=O)/C=C/c1ccc(cc1)S(=O)(=O)N(C1CCCC1)[*:1]
COC(=O)/C=C/c1ccc(S(=O)(=O)N(C2CCCC2)C2CC2)cc1 COC(=O)C=C[*:1] O=S(=O)(c1ccc(cc1)[*:1])N(C1CCCC1)C1CC1
COC(=O)/C=C/c1ccc(S(=O)(=O)N(C2CCCC2)C2CC2)cc1 C1CCC(C1)[*:1] COC(=O)/C=C/c1ccc(cc1)S(=O)(=O)N(C1CC1)[*:1]
COC(=O)/C=C/c1ccc(S(=O)(=O)N(C2CCCC2)C2CC2)cc1 COC(=O)[*:1] O=S(=O)(c1ccc(C=C[*:1])cc1)N(C1CCCC1)C1CC1
Cc1ncc(N)cc1C(=O)N[C@H](CO)C(C)C CC(C)[*:1] Cc1ncc(N)cc1C(=O)N[C@H](CO)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CSc3ncc(C)c(=O)n32)C1 CCOC(=O)[*:1] Cc1cnc2SC[C@@H](CC(=O)N3CCC[C@H](C3)[*:1])n2c1=O
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)n1 CC(C)[*:1] C[C@H](NC(=O)C(=O)Nc1nn(cc1C#N)[*:1])c1nc2ccccc2[nH]1
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)n1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)N[C@@H](C)[*:1]
CC(C)c1nnc(SCC(=O)Nc2nncs2)o1 CC(C)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1nncs1
CC(C)c1nnc(SCC(=O)Nc2nncs2)o1 c1nnc(s1)[*:1] CC(C)c1nnc(o1)SCC(=O)N[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccco2)c1 Clc1ccc(cc1)[*:1] O=C(CS[*:1])Nc1cccc(c1)NC(=O)c1ccco1
O=C(CSc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 O=C(CSc1ccc(Cl)cc1)Nc1cccc(c1)[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] O=C(CSc1ccc(Cl)cc1)Nc1cccc(c1)NC(=O)[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccco2)c1 Clc1ccc(cc1)S[*:1] O=C(C[*:1])Nc1cccc(c1)NC(=O)c1ccco1
COC(=O)c1cc(C(=O)N[C@@H](C)CCc2cccn2C)ccn1 Cn1cccc1[*:1] COC(=O)c1cc(ccn1)C(=O)N[C@@H](C)CC[*:1]
COC(=O)c1cc(C(=O)N[C@@H](C)CCc2cccn2C)ccn1 COC(=O)[*:1] C[C@@H](CCc1cccn1C)NC(=O)c1ccnc(c1)[*:1]
COC(=O)c1cc(C(=O)N[C@@H](C)CCc2cccn2C)ccn1 Cn1cccc1C[*:1] COC(=O)c1cc(ccn1)C(=O)N[C@@H](C)C[*:1]
CC(=O)c1ccccc1C(=O)N1CCC(CO)(CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)c1ccccc1C(=O)N1CCC(CO)(CCO[*:1])CC1
CC(=O)c1ccccc1C(=O)N1CCC(CO)(CCOc2ccccc2)CC1 c1ccc(cc1)OCC[*:1] CC(=O)c1ccccc1C(=O)N1CCC(CO)(CC1)[*:1]
CC(=O)c1ccccc1C(=O)N1CCC(CO)(CCOc2ccccc2)CC1 CC(=O)[*:1] O=C(c1ccccc1[*:1])N1CCC(CO)(CCOc2ccccc2)CC1
CC(=O)c1ccccc1C(=O)N1CCC(CO)(CCOc2ccccc2)CC1 CC(=O)c1ccccc1[*:1] O=C(N1CCC(CO)(CCOc2ccccc2)CC1)[*:1]
CC(=O)c1ccccc1C(=O)N1CCC(CO)(CCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] CC(=O)c1ccccc1C(=O)N1CCC(CO)(CC1)CC[*:1]
CC(=O)c1ccccc1C(=O)N1CCC(CO)(CCOc2ccccc2)CC1 c1ccc(cc1)OC[*:1] CC(=O)c1ccccc1C(=O)N1CCC(CO)(CC1)C[*:1]
CC1(C)C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12 O=C(N1CCCC1)[*:1] CC1(C)C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@]2(CC[C@](C)(O)C[C@@H]12)CC[*:1]
CC1(C)C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12 O=C(CC[*:1])N1CCCC1 CC1(C)C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@]2(CC[C@](C)(O)C[C@@H]12)[*:1]
CC1(C)C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12 O=C(C[*:1])N1CCCC1 CC1(C)C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@]2(CC[C@](C)(O)C[C@@H]12)C[*:1]
CC1(C)C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12 O=S(=O)(N[*:1])c1ccc(F)cc1 CC1(C)C[C@H]([C@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12)[*:1]
CC1(C)C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12 Fc1ccc(cc1)[*:1] CC1(C)C[C@H](NS(=O)(=O)[*:1])[C@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12
Cc1ccc([C@H](C)NC(=O)c2cc3ccccc3oc2=O)cc1C Cc1ccc(cc1C)[*:1] C[C@H](NC(=O)c1cc2ccccc2oc1=O)[*:1]
Cc1noc(C)c1C[S@](=O)Cc1csc(-c2ccccc2F)n1 Fc1ccccc1[*:1] Cc1noc(C)c1C[S@](=O)Cc1csc(n1)[*:1]
Cc1noc(C)c1C[S@](=O)Cc1csc(-c2ccccc2F)n1 Cc1noc(C)c1[*:1] O=[S@](Cc1csc(n1)-c1ccccc1F)C[*:1]
Cc1ncnc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)c1C Cc1ncnc(c1C)[*:1] O=C1CC[C@]2(CCCN(C2)[*:1])CN1Cc1ccccn1
Cc1ncnc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)c1C c1ccc(nc1)[*:1] Cc1ncnc(c1C)N1CCC[C@]2(CCC(=O)N(C2)C[*:1])C1
Cc1ncnc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)c1C c1ccc(C[*:1])nc1 Cc1ncnc(c1C)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
CCc1ccc(CNC(=O)NCc2ccncc2)s1 c1cc(ccn1)[*:1] CCc1ccc(CNC(=O)NC[*:1])s1
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 O=C(c1cccc(c1)[N+](=O)[O-])[*:1] O=C(OC[*:1])c1cccc(c1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(OCC(=O)[*:1])c1cccc(c1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(COC(=O)c1cccc(c1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1cccc(c1)[*:1]
C/C(=N/O)c1cc(F)ccc1OCc1cc(F)ccc1F CC(=NO)[*:1] Fc1ccc(F)c(c1)COc1ccc(F)cc1[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)c1cc2ccccc2cc1OC CC(=O)N[*:1] COc1ccc(cc1NC(=O)c1cc2ccccc2cc1OC)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C([C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(F)cc1)N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCC(=O)N1S(=O)(=O)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 CC(=O)[*:1] O=C([C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(F)cc1)N1CCN(CC1)c1ccc(cc1)[*:1]
COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1 FC(F)(F)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
CC[C@H](C(=O)Nc1ccc2[nH]nc(C(=O)OC)c2c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1ccc2[nH]nc(C(=O)OC)c2c1)[*:1]
CC[C@H](C(=O)Nc1ccc2[nH]nc(C(=O)OC)c2c1)c1ccccc1 COC(=O)[*:1] CC[C@H](C(=O)Nc1ccc2[nH]nc(c2c1)[*:1])c1ccccc1
C[C@H]1C[C@H]([NH3+])CN(CC(=O)NC[C@@H](C)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]([NH3+])CN(CC(=O)NC[C@@H](C)[*:1])C1
O=[N+]([O-])c1cccc(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 FC(F)(F)O[*:1] O=[N+]([O-])c1cccc(c1)CNS(=O)(=O)c1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 FC(F)(F)[*:1] O=[N+]([O-])c1cccc(c1)CNS(=O)(=O)c1cccc(c1)O[*:1]
O=[N+]([O-])c1cccc(CNS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 O=[N+]([O-])[*:1] O=S(=O)(NCc1cccc(c1)[*:1])c1cccc(c1)OC(F)(F)F
CC(C)(C)OC(=O)NCC[C@H]1S[C@H]2C=C[C@@H]1C2 CC(C)(C)[*:1] O=C(NCC[C@H]1S[C@H]2C=C[C@@H]1C2)O[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(cc1)C(=O)NC[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(cc1)C(=O)N[*:1]
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC NS(=O)(=O)[*:1] CCNS(=O)(=O)c1cc(ccc1OC)C(=O)Nc1ccc(cc1)[*:1]
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC CCNS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
CCCCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C NS(=O)(=O)[*:1] CCCCC(=O)/N=c1\sc(nn1C)[*:1]
CCCCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C CCC[*:1] Cn1nc(s/c1=N\C(=O)C[*:1])S(N)(=O)=O
CCCCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C CCCC[*:1] Cn1nc(s/c1=N\C(=O)[*:1])S(N)(=O)=O
C[C@@H]1Cc2ccccc2N1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@@H]1Cc2ccccc2N1CC(=O)N(C)c1ccccc1C(=O)N[*:1]
C[C@@H]1Cc2ccccc2N1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@@H]1Cc2ccccc2N1CC(=O)N(C)c1ccccc1C(=O)NC[*:1]
C[C@@H]1Cc2ccccc2N1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 O=C(NCc1ccco1)[*:1] C[C@@H]1Cc2ccccc2N1CC(=O)N(C)c1ccccc1[*:1]
Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 Cc1nn(C)c(C)c1[*:1] O=C(CC[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 CC(C)(C)OC(=O)N[*:1] O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](C1)[*:1]
CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] CC(C)(C)OC(=O)N[C@H]1CCCN(C1)C(=O)N[*:1]
CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 CC(C)(C)[*:1] O=C(N[C@H]1CCCN(C1)C(=O)Nc1ccc(F)cc1F)O[*:1]
Cc1nc(C)c([C@H](C)NC(=O)COCC[NH3+])s1 [NH3+]CC[*:1] Cc1nc(C)c(s1)[C@H](C)NC(=O)CO[*:1]
Cc1nc(C)c([C@H](C)NC(=O)COCC[NH3+])s1 [NH3+]CCO[*:1] Cc1nc(C)c(s1)[C@H](C)NC(=O)C[*:1]
Cc1nc(C)c([C@H](C)NC(=O)COCC[NH3+])s1 [NH3+]CCOC[*:1] Cc1nc(C)c(s1)[C@H](C)NC(=O)[*:1]
Cc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1C#N FC(F)(F)[*:1] Cc1nc(ccc1C#N)C(=O)Nc1cc(ccc1Cl)[*:1]
Cc1ccccc1[C@H](NC(=O)NC[C@@](C)(O)CN1CCOCC1)C1CC1 C1CC1[*:1] Cc1ccccc1[C@H](NC(=O)NC[C@@](C)(O)CN1CCOCC1)[*:1]
Cc1ccccc1[C@H](NC(=O)NC[C@@](C)(O)CN1CCOCC1)C1CC1 Cc1ccccc1[*:1] C[C@@](O)(CNC(=O)N[C@H](C1CC1)[*:1])CN1CCOCC1
Cc1ccccc1[C@H](NC(=O)NC[C@@](C)(O)CN1CCOCC1)C1CC1 C1CN(CCO1)C[*:1] Cc1ccccc1[C@H](NC(=O)NC[C@@](C)(O)[*:1])C1CC1
Cc1ccccc1[C@H](NC(=O)NC[C@@](C)(O)CN1CCOCC1)C1CC1 C1CN(CCO1)[*:1] Cc1ccccc1[C@H](NC(=O)NC[C@@](C)(O)C[*:1])C1CC1
Cc1ccc(-n2nc(C)c(/C=N/c3ccc4[nH]c(=O)[nH]c4c3)c2O)cc1 Cc1ccc(cc1)[*:1] Cc1nn(c(O)c1/C=N/c1ccc2[nH]c(=O)[nH]c2c1)[*:1]
CCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[C@@H](CC)C2)cc1 CCO[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)CNC(=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2OCCOc2c1)[*:1]
Cc1ccc2c(c1)CCN2C(=O)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc2c(c1)CCN2C(=O)[C@H](C)C[*:1]
Cc1ccc2c(c1)CCN2C(=O)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1ccc2c(c1)CCN2C(=O)[C@H](C)[*:1]
O=C(CSC1=NC(Cl)=N[C@@H]2N=CN=C12)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CSC1=NC(Cl)=N[C@@H]2N=CN=C12)N[*:1]
C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)NC(=O)NC1CC1 C1CC1[*:1] C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)NC(=O)N[*:1]
O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1cccc(Cl)c1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NC1CC1)[C@@H]1C[C@@H](CN1Cc1cccc(Cl)c1)S[*:1]
O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NC1CC1)[C@@H]1C[C@@H](CN1C[*:1])Sc1nc2ccccc2[nH]1
O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C(NC1CC1)[C@@H]1C[C@@H](CN1[*:1])Sc1nc2ccccc2[nH]1
O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1cccc(Cl)c1 C1CC1[*:1] O=C(N[*:1])[C@@H]1C[C@@H](CN1Cc1cccc(Cl)c1)Sc1nc2ccccc2[nH]1
O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1cccc(Cl)c1 O=C(NC1CC1)[*:1] Clc1cccc(c1)CN1C[C@H](C[C@H]1[*:1])Sc1nc2ccccc2[nH]1
N#Cc1ccc2nc(NC[C@@]3(CCO)CCOC3)ccc2c1 OCC[*:1] N#Cc1ccc2nc(ccc2c1)NC[C@]1(CCOC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)OCC(N)=O)c1C1CC1 NC(=O)C[*:1] CC[C@@H](C)n1ncc(C(=O)O[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)OCC(N)=O)c1C1CC1 CC[C@@H](C)[*:1] NC(=O)COC(=O)c1cnn(c1C1CC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)OCC(N)=O)c1C1CC1 NC(=O)[*:1] CC[C@@H](C)n1ncc(C(=O)OC[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)OCC(N)=O)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)OCC(N)=O)c1[*:1]
C[C@H]1CN(C(=O)c2cnn(-c3ccccc3Cl)c2)C[C@@H](C)O1 Clc1ccccc1[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1cnn(c1)[*:1]
Cc1ccc([C@@H]([NH2+][C@@H](C)Cn2cnc(C)c2C)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]([NH2+][C@@H](C)Cn1cnc(C)c1C)[*:1]
Cc1ccc([C@@H]([NH2+][C@@H](C)Cn2cnc(C)c2C)C2CC2)cc1 Cc1ncn(c1C)[*:1] Cc1ccc(cc1)[C@@H]([NH2+][C@@H](C)C[*:1])C1CC1
Cc1ccc([C@@H]([NH2+][C@@H](C)Cn2cnc(C)c2C)C2CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ncn(C[C@H](C)[NH2+][C@@H](C2CC2)[*:1])c1C
C[C@@H](C(=O)Nc1c(F)cccc1F)N1CC[NH+](Cc2cccnc2)CC1 c1cncc(c1)[*:1] C[C@@H](C(=O)Nc1c(F)cccc1F)N1CC[NH+](CC1)C[*:1]
C[C@@H](C(=O)Nc1c(F)cccc1F)N1CC[NH+](Cc2cccnc2)CC1 Fc1cccc(F)c1[*:1] C[C@@H](C(=O)N[*:1])N1CC[NH+](CC1)Cc1cccnc1
C[C@@H](C(=O)Nc1c(F)cccc1F)N1CC[NH+](Cc2cccnc2)CC1 c1cncc(c1)C[*:1] C[C@@H](C(=O)Nc1c(F)cccc1F)N1CC[NH+](CC1)[*:1]
CCOC(=O)C1(C(=O)OCc2nc(C)cs2)CC1 Cc1csc(n1)[*:1] CCOC(=O)C1(CC1)C(=O)OC[*:1]
CCOC(=O)C1(C(=O)OCc2nc(C)cs2)CC1 CCOC(=O)[*:1] Cc1csc(COC(=O)C2(CC2)[*:1])n1
Cc1c(N[C@@H]2CC[C@@H](C)C2)cccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1c(cccc1[*:1])N[C@@H]1CC[C@@H](C)C1
C/C(=C/C(=O)Nc1sccc1C(=O)NC1CC1)c1ccccc1 C1CC1[*:1] C/C(=C/C(=O)Nc1sccc1C(=O)N[*:1])c1ccccc1
C/C(=C/C(=O)Nc1sccc1C(=O)NC1CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(=CC(=O)Nc1sccc1C(=O)NC1CC1)[*:1]
C/C(=C/C(=O)Nc1sccc1C(=O)NC1CC1)c1ccccc1 O=C(NC1CC1)[*:1] C/C(=C/C(=O)Nc1sccc1[*:1])c1ccccc1
CC[C@H]([NH3+])Cc1cc(F)c(OCC(N)=O)c(F)c1 NC(=O)C[*:1] CC[C@H]([NH3+])Cc1cc(F)c(O[*:1])c(F)c1
CC[C@H]([NH3+])Cc1cc(F)c(OCC(N)=O)c(F)c1 NC(=O)[*:1] CC[C@H]([NH3+])Cc1cc(F)c(OC[*:1])c(F)c1
CC[C@H]([NH3+])Cc1cc(F)c(OCC(N)=O)c(F)c1 NC(=O)CO[*:1] CC[C@H]([NH3+])Cc1cc(F)c(c(F)c1)[*:1]
N#Cc1cccc(NC(=O)NNC(=O)Cc2ccc3ccccc3c2)c1 N#Cc1cccc(c1)[*:1] O=C(Cc1ccc2ccccc2c1)NNC(=O)N[*:1]
BrC/C=C/c1c[nH]c2ncccc12 BrCC=C[*:1] c1cnc2[nH]cc(c2c1)[*:1]
O=C(CCn1cnc2ccccc2c1=O)OCc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCn1cnc2ccccc2c1=O)OCc1ccc(cc1)[*:1]
N#Cc1nncn1CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] N#Cc1nncn1CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[*:1]
N#Cc1nncn1CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] N#Cc1nncn1CC[C@H](NS(=O)(=O)[*:1])c1ccccc1
C[C@H]([NH3+])c1cc(F)ccc1OCC#N N#CCO[*:1] C[C@H]([NH3+])c1cc(F)ccc1[*:1]
C[C@H]([NH3+])c1cc(F)ccc1OCC#N N#CC[*:1] C[C@H]([NH3+])c1cc(F)ccc1O[*:1]
CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2cccc(C)c2)c1=O Cc1cccc(c1)[*:1] CCCn1c(N)c(c(=O)n(CC(=O)N[*:1])c1=O)N1CCOCC1
CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2cccc(C)c2)c1=O CCC[*:1] Cc1cccc(c1)NC(=O)Cn1c(=O)c(c(N)n(c1=O)[*:1])N1CCOCC1
CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2cccc(C)c2)c1=O C1CN(CCO1)[*:1] CCCn1c(N)c(c(=O)n(CC(=O)Nc2cccc(C)c2)c1=O)[*:1]
COC(=O)c1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] COC(=O)c1ccc(cc1)[C@H]1C(=C(O)C(=O)N1[*:1])c1ccccc1
COC(=O)c1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1C(=C(O)C(=O)N1Cc1ccc(F)cc1)[*:1]
COC(=O)c1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 COC(=O)c1ccc(cc1)[*:1] O=C1C(O)=C(c2ccccc2)[C@@H](N1Cc1ccc(F)cc1)[*:1]
COC(=O)c1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 COC(=O)[*:1] O=C1C(O)=C(c2ccccc2)[C@H](c2ccc(cc2)[*:1])N1Cc1ccc(F)cc1
COC(=O)c1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1C(=C(O)C(=O)N1C[*:1])c1ccccc1
Cc1nc(N(C)CC(N)=O)c2c(-c3cccs3)csc2n1 CN(CC(N)=O)[*:1] Cc1nc(c2c(csc2n1)-c1cccs1)[*:1]
Cc1nc(N(C)CC(N)=O)c2c(-c3cccs3)csc2n1 NC(=O)[*:1] Cc1nc(c2c(csc2n1)-c1cccs1)N(C)C[*:1]
Cc1nc(N(C)CC(N)=O)c2c(-c3cccs3)csc2n1 c1csc(c1)[*:1] Cc1nc(c2c(csc2n1)[*:1])N(C)CC(N)=O
Cc1nc(N(C)CC(N)=O)c2c(-c3cccs3)csc2n1 NC(=O)C[*:1] Cc1nc(c2c(csc2n1)-c1cccs1)N(C)[*:1]
COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 COC(=O)[*:1] O=C1[C@@H]2[C@H]([C@H]3C=C[C@]2(CN1C[C@@H]1CCCO1)O3)[*:1]
COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 C1CO[C@@H](C1)C[*:1] COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)[*:1])O2
COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 C1CO[C@@H](C1)[*:1] COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C[*:1])C(=O)[C@H]13)O2
Cc1cc(C)cc(NC(=O)CSc2nnc(N/N=C/c3cccc4ccccc34)n2N)c1 c1ccc2c(cccc2c1)[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nnc(NN=C[*:1])n1N
Cc1cc(C)cc(NC(=O)CSc2nnc(N/N=C/c3cccc4ccccc34)n2N)c1 Cc1cc(C)cc(c1)[*:1] Nn1c(nnc1SCC(=O)N[*:1])N/N=C/c1cccc2ccccc12
CNS(=O)(=O)[C@H]1CCN(Cc2cc[nH]n2)C1 CNS(=O)(=O)[*:1] c1cc(CN2CC[C@@H](C2)[*:1])n[nH]1
CNS(=O)(=O)[C@H]1CCN(Cc2cc[nH]n2)C1 c1cc(n[nH]1)[*:1] CNS(=O)(=O)[C@H]1CCN(C1)C[*:1]
O=C(N[C@@H]1CCc2cc(F)ccc21)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] O=C(N[C@@H]1CCc2cc(F)ccc21)c1cnc(s1)[*:1]
NC(=O)c1cccc(-c2ccc([C@@H]3CCCN3C(=O)CCN3CCOCC3)nc2)c1 C1CN(CCO1)[*:1] NC(=O)c1cccc(c1)-c1ccc(nc1)[C@@H]1CCCN1C(=O)CC[*:1]
NC(=O)c1cccc(-c2ccc([C@@H]3CCCN3C(=O)CCN3CCOCC3)nc2)c1 NC(=O)[*:1] O=C(CCN1CCOCC1)N1CCC[C@H]1c1ccc(cn1)-c1cccc(c1)[*:1]
NC(=O)c1cccc(-c2ccc([C@@H]3CCCN3C(=O)CCN3CCOCC3)nc2)c1 NC(=O)c1cccc(c1)[*:1] O=C(CCN1CCOCC1)N1CCC[C@H]1c1ccc(cn1)[*:1]
NC(=O)c1cccc(-c2ccc([C@@H]3CCCN3C(=O)CCN3CCOCC3)nc2)c1 C1CN(CCO1)C[*:1] NC(=O)c1cccc(c1)-c1ccc(nc1)[C@@H]1CCCN1C(=O)C[*:1]
NC(=O)c1cccc(-c2ccc([C@@H]3CCCN3C(=O)CCN3CCOCC3)nc2)c1 C1CN(CCO1)CC[*:1] NC(=O)c1cccc(c1)-c1ccc(nc1)[C@@H]1CCCN1C(=O)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1ccc(N2CCC(O)CC2)cc1 C1CC1[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)N1CCC(O)CC1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1ccc(N2CCC(O)CC2)cc1 OC1CCN(CC1)[*:1] C[C@@H](C1CC1)N(C)C(=O)c1ccc(cc1)[*:1]
COc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)N1CCCCC1 Cc1cc(C)cc(c1)[*:1] COc1ccc(/C=C/C(=O)N[*:1])cc1S(=O)(=O)N1CCCCC1
COc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1[*:1]
COCCCS(=O)(=O)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 COCC[*:1] O=S(=O)(C[*:1])N1CCN(CC1)C[C@@H]1C[C@@H]2C=C[C@H]1C2
COCCCS(=O)(=O)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 COCCC[*:1] O=S(=O)(N1CCN(CC1)C[C@@H]1C[C@@H]2C=C[C@H]1C2)[*:1]
COCCCS(=O)(=O)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 COC[*:1] O=S(=O)(CC[*:1])N1CCN(CC1)C[C@@H]1C[C@@H]2C=C[C@H]1C2
CN(C(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(-c2ccccc2)nn1 c1ccc(cc1)[*:1] CN(C(=O)c1cnc(s1)[C@H]1CCCO1)c1ccc(nn1)[*:1]
O=C(NCc1ccccc1-n1cccn1)N1CCc2ccc(O)cc2C1 c1cnn(c1)[*:1] O=C(NCc1ccccc1[*:1])N1CCc2ccc(O)cc2C1
CC(C)c1cnc(S(=O)(=O)Cc2ccon2)n1C1CC1 CC(C)[*:1] O=S(=O)(Cc1ccon1)c1ncc(n1C1CC1)[*:1]
CC(C)c1cnc(S(=O)(=O)Cc2ccon2)n1C1CC1 c1cc(no1)[*:1] CC(C)c1cnc(n1C1CC1)S(=O)(=O)C[*:1]
CC(C)c1cnc(S(=O)(=O)Cc2ccon2)n1C1CC1 C1CC1[*:1] CC(C)c1cnc(n1[*:1])S(=O)(=O)Cc1ccon1
CC(C)c1cnc(S(=O)(=O)Cc2ccon2)n1C1CC1 c1cc(C[*:1])no1 CC(C)c1cnc(n1C1CC1)S(=O)(=O)[*:1]
CN(C1CC1)[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 C1CC1[*:1] CN([C@H](C[NH3+])c1ccc(cc1)OC(F)(F)F)[*:1]
CN(C1CC1)[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CN(C1CC1)[C@H](C[NH3+])c1ccc(cc1)O[*:1]
CN(C1CC1)[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CN(C1CC1)[C@H](C[NH3+])c1ccc(cc1)[*:1]
CN(C1CC1)[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 CN(C1CC1)[*:1] [NH3+]C[C@H](c1ccc(cc1)OC(F)(F)F)[*:1]
N#Cc1cc(Cl)nc(NNC(=O)CCCNC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 N#Cc1cc(Cl)nc(c1)NNC(=O)CCC[*:1]
N#Cc1cc(Cl)nc(NNC(=O)CCCNC(=O)c2ccco2)c1 c1coc(c1)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)CCCNC(=O)[*:1]
O=C(Cn1c(CO)cnc1SCc1cccc2ccccc12)NC1CCCC1 O=C(C[*:1])NC1CCCC1 OCc1cnc(SCc2cccc3ccccc23)n1[*:1]
O=C(Cn1c(CO)cnc1SCc1cccc2ccccc12)NC1CCCC1 O=C(NC1CCCC1)[*:1] OCc1cnc(SCc2cccc3ccccc23)n1C[*:1]
O=C(Cn1c(CO)cnc1SCc1cccc2ccccc12)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1c(cnc1SCc1cccc2ccccc12)CO)N[*:1]
Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)cc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nc(n[nH]1)[*:1])Nc1ccc(F)cc1
Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)SCC(=O)N[*:1]
COc1cccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)o2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)NC(=O)CSc1nnc(o1)[*:1]
COc1cccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)o2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)-c1nnc(o1)SCC(=O)N[*:1]
C[C@@H](O)c1cnn([C@@H]2CCOC3(CCCC3)C2)c1 C[C@@H](O)[*:1] c1nn(cc1[*:1])[C@@H]1CCOC2(CCCC2)C1
CCOC(=O)C1(Cc2ccccc2)CCN(CC#Cc2ccccc2)CC1 CCOC(=O)[*:1] C(#Cc1ccccc1)CN1CCC(CC1)(Cc1ccccc1)[*:1]
CCOC(=O)C1(Cc2ccccc2)CCN(CC#Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(CCN(CC#Cc2ccccc2)CC1)C[*:1]
CCOC(=O)C1(Cc2ccccc2)CCN(CC#Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCOC(=O)C1(CCN(CC#Cc2ccccc2)CC1)[*:1]
CCOC(=O)C1(Cc2ccccc2)CCN(CC#Cc2ccccc2)CC1 C(#C[*:1])c1ccccc1 CCOC(=O)C1(CCN(CC1)C[*:1])Cc1ccccc1
CCOC(=O)C1(Cc2ccccc2)CCN(CC#Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(CCN(CC#C[*:1])CC1)Cc1ccccc1
CCOC(=O)C1(Cc2ccccc2)CCN(CC#Cc2ccccc2)CC1 C(#Cc1ccccc1)C[*:1] CCOC(=O)C1(CCN(CC1)[*:1])Cc1ccccc1
O=C(CC1CCCCC1)N1CCC(Cn2cccn2)CC1 C1CCC(CC1)[*:1] O=C(C[*:1])N1CCC(CC1)Cn1cccn1
O=C(CC1CCCCC1)N1CCC(Cn2cccn2)CC1 c1cnn(c1)[*:1] O=C(CC1CCCCC1)N1CCC(CC1)C[*:1]
O=C(CC1CCCCC1)N1CCC(Cn2cccn2)CC1 c1cnn(c1)C[*:1] O=C(CC1CCCCC1)N1CCC(CC1)[*:1]
O=C(CC1CCCCC1)N1CCC(Cn2cccn2)CC1 C1CCC(CC1)C[*:1] O=C(N1CCC(CC1)Cn1cccn1)[*:1]
Cc1ccc(C2=C[C@H]([C@H]3NN[C@H](SCC(=O)Nc4ccccc4F)N3N)N=N2)cc1 Cc1ccc(cc1)[*:1] NN1[C@H](NN[C@@H]1[C@H]1C=C(N=N1)[*:1])SCC(=O)Nc1ccccc1F
Cc1ccc(C2=C[C@H]([C@H]3NN[C@H](SCC(=O)Nc4ccccc4F)N3N)N=N2)cc1 O=C(Nc1ccccc1F)[*:1] Cc1ccc(cc1)C1=C[C@@H](N=N1)[C@H]1NN[C@H](SC[*:1])N1N
Cc1ccc(C2=C[C@H]([C@H]3NN[C@H](SCC(=O)Nc4ccccc4F)N3N)N=N2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)C1=C[C@@H](N=N1)[C@H]1NN[C@H](SCC(=O)N[*:1])N1N
N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 Brc1ccc(cc1)[*:1] N#C/C(=C/c1ccc(O)c(c1)[N+](=O)[O-])c1nc(cs1)[*:1]
N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 O=[N+]([O-])[*:1] N#C/C(=C/c1ccc(O)c(c1)[*:1])c1nc(cs1)-c1ccc(Br)cc1
COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc([S@](C)=O)cc2)c1 C[S@](=O)[*:1] COc1ccc(OC)c(c1)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
CN(C)C(=O)CNC(=O)N1CC[C@](O)(C(F)(F)F)C1 CN(C)C(=O)[*:1] O=C(NC[*:1])N1CC[C@@](O)(C1)C(F)(F)F
CN(C)C(=O)CNC(=O)N1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CN(C)C(=O)CNC(=O)N1CC[C@](O)(C1)[*:1]
CN(C)C(=O)CNC(=O)N1CC[C@](O)(C(F)(F)F)C1 CN(C)C(=O)C[*:1] O=C(N[*:1])N1CC[C@@](O)(C1)C(F)(F)F
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c(C)s1 Cc1cccc(c1C)[*:1] Cc1cc(C(=O)NNC(=O)[C@@H](C)O[*:1])c(C)s1
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1cccc(O[C@H](C)C(=O)NNC(=O)[*:1])c1C
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CCNS(=O)(=O)c1ccc2CCCCc2c1)NC[*:1]
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CCNS(=O)(=O)c1ccc2CCCCc2c1)N[*:1]
N#Cc1ccc(/C(N)=N\OCC(=O)Nc2ccc(F)cc2Cl)nc1 Fc1ccc(c(Cl)c1)[*:1] N#Cc1ccc(nc1)/C(N)=N\OCC(=O)N[*:1]
N#Cc1ccc(/C(N)=N\OCC(=O)Nc2ccc(F)cc2Cl)nc1 N#Cc1ccc(nc1)[*:1] N/C(=N/OCC(=O)Nc1ccc(F)cc1Cl)[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[*:1]
Cc1sc2ccccc2c1S(=O)(=O)OCC(F)(F)C(F)F FC(F)C(F)(F)[*:1] Cc1sc2ccccc2c1S(=O)(=O)OC[*:1]
Cc1sc2ccccc2c1S(=O)(=O)OCC(F)(F)C(F)F FC(F)C(F)(F)C[*:1] Cc1sc2ccccc2c1S(=O)(=O)O[*:1]
Cc1sc2ccccc2c1S(=O)(=O)OCC(F)(F)C(F)F FC(F)[*:1] Cc1sc2ccccc2c1S(=O)(=O)OCC(F)(F)[*:1]
COc1ccc(N2CCCN=C2NC(=O)c2ccccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1C(=O)NC1=NCCCN1[*:1]
COc1ccc(N2CCCN=C2NC(=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)N1CCCN=C1NC(=O)[*:1]
Cc1cc(C)n(-c2ccc(N(C)CCOc3ccccc3F)nn2)n1 Fc1ccccc1O[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N(C)CC[*:1]
Cc1cc(C)n(-c2ccc(N(C)CCOc3ccccc3F)nn2)n1 Cc1cc(C)n(n1)[*:1] CN(CCOc1ccccc1F)c1ccc(nn1)[*:1]
Cc1cc(C)n(-c2ccc(N(C)CCOc3ccccc3F)nn2)n1 Fc1ccccc1[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N(C)CCO[*:1]
C[C@@H](Sc1nnc(COc2ccccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 Clc1ccccc1O[*:1] C[C@@H](Sc1nnc(C[*:1])o1)C(=O)Nc1ccc(Cl)cc1
C[C@@H](Sc1nnc(COc2ccccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 Clc1ccccc1OC[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)Nc1ccc(Cl)cc1
C[C@@H](Sc1nnc(COc2ccccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(COc2ccccc2Cl)o1)C(=O)N[*:1]
C[C@@H](Sc1nnc(COc2ccccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 Clc1ccccc1[*:1] C[C@@H](Sc1nnc(CO[*:1])o1)C(=O)Nc1ccc(Cl)cc1
C[C@@H](c1ccncc1)N(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1cc(ccn1)[*:1] C[C@@H](N(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 C[C@@H](c1ccncc1)[*:1] CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@@H](c1ccncc1)N(C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H](c1ccncc1)N(C)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
COc1cccc2ccc(N3CCC[C@@]4(CCC(=O)N(CC5CC5)C4)C3)nc12 C1CC1C[*:1] COc1cccc2ccc(nc12)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
COc1cccc2ccc(N3CCC[C@@]4(CCC(=O)N(CC5CC5)C4)C3)nc12 C1CC1[*:1] COc1cccc2ccc(nc12)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(I)cc1 Ic1ccc(cc1)[*:1] CC(=NNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)[*:1]
C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(I)cc1 c1ccc(cc1)[*:1] C/C(=N\NC(=O)[C@H](C)N(S(C)(=O)=O)[*:1])c1ccc(I)cc1
CC[C@H]1CN(C(=O)NCCc2cccc(C(=O)OC)c2)C[C@H](C)O1 COC(=O)[*:1] CC[C@H]1CN(C[C@H](C)O1)C(=O)NCCc1cccc(c1)[*:1]
COc1ccc(C)cc1N1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NC1CCCC1 COc1ccc(C)cc1[*:1] C[C@]1(Cn2c(cc3ccsc32)C(=O)N1[*:1])C(=O)NC1CCCC1
COc1ccc(C)cc1N1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] COc1ccc(C)cc1N1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)N[*:1]
COc1ccc(C)cc1N1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] COc1ccc(C)cc1N1C(=O)c2cc3ccsc3n2C[C@]1(C)[*:1]
CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2c(F)cccc2F)nc1[O-] Fc1cccc(F)c1[*:1] CCc1c(C)nc(nc1[O-])-n1nc(C)cc1NC(=O)[*:1]
CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 CCc1ccc(cc1)[*:1] O=C1C[C@@H](C2C(=O)C[C@@H](CC=2N1)c1cccs1)[*:1]
CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 c1csc(c1)[*:1] CCc1ccc(cc1)[C@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)[*:1]
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@H]21 C1CC1[*:1] C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H](NC(=O)[*:1])[C@@H](C)[C@H]21
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@H]21 O=C(N[*:1])C1CC1 C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H]([C@@H](C)[C@H]21)[*:1]
Cc1cc(C)c(O)c(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 c1ncn(n1)[*:1] Cc1cc(C)c(O)c(c1)C(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)CCC#N)o2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)N(C)CCC#N
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)CCC#N)o2)cc1C CN(CCC#N)C(=O)[*:1] Cc1ccc(cc1C)-c1nnc(o1)S[C@@H](C)[*:1]
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)CCC#N)o2)cc1C N#CCC[*:1] Cc1ccc(cc1C)-c1nnc(o1)S[C@@H](C)C(=O)N(C)[*:1]
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)CCC#N)o2)cc1C N#CC[*:1] Cc1ccc(cc1C)-c1nnc(o1)S[C@@H](C)C(=O)N(C)C[*:1]
COc1ccc(C(=O)NCc2ccc([C@H](O)c3cccs3)s2)c(OC)c1 c1csc(c1)[*:1] COc1ccc(C(=O)NCc2ccc(s2)[C@H](O)[*:1])c(c1)OC
O=C(COc1c(F)c(F)c(F)c(F)c1F)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O c1csc(c1)[*:1] O=C(COc1c(F)c(F)c(F)c(F)c1F)Oc1ccc2C(=O)C(=C[*:1])Oc2c1
CC[NH+]1CCCN(C(=O)Nc2cccc(N3CCOC3=O)c2C)CC1 O=C1OCCN1[*:1] CC[NH+]1CCCN(CC1)C(=O)Nc1cccc(c1C)[*:1]
Cc1ccc(C(=O)Nc2nc([C@@H](C)O)cs2)c(F)c1 C[C@@H](O)[*:1] Cc1ccc(C(=O)Nc2nc(cs2)[*:1])c(F)c1
CCCC(=O)N1CCc2nc(C3CCN(C(=O)C4CCC4)CC3)[nH]c(=O)c2C1 C1CC(C1)[*:1] CCCC(=O)N1CCc2nc([nH]c(=O)c2C1)C1CCN(CC1)C(=O)[*:1]
CCCC(=O)N1CCc2nc(C3CCN(C(=O)C4CCC4)CC3)[nH]c(=O)c2C1 CCC[*:1] O=C(C1CCC1)N1CCC(CC1)c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
CN(CCCC(=O)N1CCC[C@H]1c1ccc[nH]1)S(=O)(=O)c1ccc(F)cc1 c1c[nH]c(c1)[*:1] CN(CCCC(=O)N1CCC[C@@H]1[*:1])S(=O)(=O)c1ccc(F)cc1
CN(CCCC(=O)N1CCC[C@H]1c1ccc[nH]1)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CCCC(=O)N1CCC[C@H]1c1ccc[nH]1)S(=O)(=O)[*:1]
COc1ccc(CCNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1OC Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1OC)CCNC(=O)C(=O)N[*:1]
CCNC(=O)CCn1ncc2c(Cl)cccc21 CCNC(=O)[*:1] Clc1cccc2c1cnn2CC[*:1]
COc1ccc(C(=O)Nc2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)C1(CC1)c1ccc(cc1)NC(=O)[*:1]
O=[N+]([O-])c1ccc(NC[C@@H]2CCCN(c3ncccn3)C2)c2ncccc12 O=[N+]([O-])[*:1] c1cnc(nc1)N1CCC[C@@H](CNc2ccc(c3cccnc23)[*:1])C1
O=[N+]([O-])c1ccc(NC[C@@H]2CCCN(c3ncccn3)C2)c2ncccc12 c1cnc(nc1)[*:1] O=[N+]([O-])c1ccc(NC[C@@H]2CCCN(C2)[*:1])c2ncccc12
Cc1cnc(CN2C[C@@]3(CCCN(C(=O)COC(C)C)C3)CCC2=O)cn1 Cc1cnc(cn1)[*:1] CC(C)OCC(=O)N1CCC[C@]2(CCC(=O)N(C2)C[*:1])C1
Cc1cnc(CN2C[C@@]3(CCCN(C(=O)COC(C)C)C3)CCC2=O)cn1 Cc1cnc(cn1)C[*:1] CC(C)OCC(=O)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
Cc1cnc(CN2C[C@@]3(CCCN(C(=O)COC(C)C)C3)CCC2=O)cn1 CC(C)OC[*:1] Cc1cnc(cn1)CN1C[C@@]2(CCCN(C2)C(=O)[*:1])CCC1=O
Cc1cnc(CN2C[C@@]3(CCCN(C(=O)COC(C)C)C3)CCC2=O)cn1 CC(C)O[*:1] Cc1cnc(cn1)CN1C[C@@]2(CCCN(C2)C(=O)C[*:1])CCC1=O
Cc1cnc(CN2C[C@@]3(CCCN(C(=O)COC(C)C)C3)CCC2=O)cn1 CC(C)[*:1] Cc1cnc(cn1)CN1C[C@@]2(CCCN(C2)C(=O)CO[*:1])CCC1=O
CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc(CCN2CCOCC2)cc1 CNC(=O)[*:1] C[C@@H](CN(C)C(=O)Nc1ccc(cc1)CCN1CCOCC1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc(cc1)C[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc(cc1)CC[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)CC[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)Nc2ccccc2Cl)C1 Clc1ccccc1[*:1] C[C@H]1CC(C)(C)C[C@](CO)(C1)[NH2+]CC(=O)N[*:1]
Cc1nnc(-c2cccc(C(=O)NC[C@H]3C[C@@H]3c3ccccc3)c2)o1 c1ccc(cc1)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NC[C@H]1C[C@H]1[*:1]
Cc1nnc(-c2cccc(C(=O)NC[C@H]3C[C@@H]3c3ccccc3)c2)o1 Cc1nnc(o1)[*:1] O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cccc(c1)[*:1]
Cc1ncccc1NC(=O)[C@@H](C(N)=S)c1ccccc1 c1ccc(cc1)[*:1] Cc1ncccc1NC(=O)[C@@H](C(N)=S)[*:1]
Cc1ncccc1NC(=O)[C@@H](C(N)=S)c1ccccc1 NC(=S)[*:1] Cc1ncccc1NC(=O)[C@@H](c1ccccc1)[*:1]
COc1cc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c(cc1OC)[*:1]
O=C(c1cccs1)N1CCC(C(=O)N2CCC[C@@H]2C2CCCC2)CC1 c1csc(c1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCC[C@@H]1C1CCCC1
O=C(c1cccs1)N1CCC(C(=O)N2CCC[C@@H]2C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(c1cccs1)N1CCC(CC1)C(=O)N1CCC[C@H]1[*:1]
Cc1ccc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)cc1C Cc1noc(C)c1[*:1] Cc1ccc(cc1C)[C@@H]1CCCN1C(=O)C[*:1]
COc1ccccc1N(C(C)=O)c1nc(CS[C@H](C)C(C)C)cs1 CC(C)[*:1] COc1ccccc1N(C(C)=O)c1nc(cs1)CS[C@H](C)[*:1]
COc1ccccc1N(C(C)=O)c1nc(CS[C@H](C)C(C)C)cs1 COc1ccccc1[*:1] CC(=O)N(c1nc(cs1)CS[C@H](C)C(C)C)[*:1]
C/C(=N\NC(=O)OC(C)(C)C)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)OC(C)(C)C)c1ccc(Cl)c(c1)[*:1]
C/C(=N\NC(=O)OC(C)(C)C)c1ccc(Cl)c([N+](=O)[O-])c1 CC(C)(C)[*:1] C/C(=N\NC(=O)O[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
CCN(C(=O)NCc1ncoc1C)[C@H](C)c1cccnc1 Cc1ocnc1[*:1] CCN(C(=O)NC[*:1])[C@H](C)c1cccnc1
CCN(C(=O)NCc1ncoc1C)[C@H](C)c1cccnc1 c1cncc(c1)[*:1] CCN(C(=O)NCc1ncoc1C)[C@H](C)[*:1]
CCN(C(=O)NCc1ncoc1C)[C@H](C)c1cccnc1 Cc1ocnc1C[*:1] CCN(C(=O)N[*:1])[C@H](C)c1cccnc1
Cc1cc(C)n([C@@H](C)C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)N[C@@H]1C[C@H]1[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
CCOC(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] CCOC(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]2[*:1])o1
CCOC(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)o1 CCOC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])[C@H]1C[C@H]1c1ccc(Cl)cc1
O=C(NCc1ccccc1)C1CCN(c2ncc(Cl)cc2F)CC1 Fc1cc(Cl)cnc1[*:1] O=C(NCc1ccccc1)C1CCN(CC1)[*:1]
O=C(NCc1ccccc1)C1CCN(c2ncc(Cl)cc2F)CC1 c1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)c1ncc(Cl)cc1F
O=C(NCc1ccccc1)C1CCN(c2ncc(Cl)cc2F)CC1 c1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1ncc(Cl)cc1F
C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1 O=C1CC[C@@H](N1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(n1)NC(=O)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1 O=C1CC[C@@H](N1)C(=O)N[*:1] C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(n1)[*:1]
CC[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)[*:1]
CC[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)[C@H]1CCCO1 c1ccc(cc1)[*:1] CC[C@H]([NH2+][C@@H](C)[C@@H](C)[*:1])[C@H]1CCCO1
COc1cc(F)c(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1F Clc1ccc(s1)[*:1] COc1cc(F)c(cc1F)NC(=O)N[C@@H](C)[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(c1)[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(-c2nc[nH]n2)c1 O=[N+]([O-])[*:1] O=S(=O)(NCc1cccc(c1)-c1nc[nH]n1)c1ccccc1[*:1]
C[C@H](OC(=O)CNC(=O)c1ccccc1Cl)C(=O)NC1CCCCC1 Clc1ccccc1[*:1] C[C@H](OC(=O)CNC(=O)[*:1])C(=O)NC1CCCCC1
C[C@H](OC(=O)CNC(=O)c1ccccc1Cl)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](OC(=O)CNC(=O)c1ccccc1Cl)C(=O)N[*:1]
Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)[NH+](C)C)o1 Brc1ccc(o1)[*:1] Cc1ccc(o1)[C@H](CNC(=O)[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)[NH+](C)C)o1 Cc1ccc(o1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)o1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)C[C@H]2CSc3nc(C(C)C)cc(=O)n32)C1 CCOC(=O)[*:1] CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)C[C@H]2CSc3nc(C(C)C)cc(=O)n32)C1 CC(C)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)C[C@H]1CSc2nc(cc(=O)n21)[*:1]
C[C@H](CNC(=O)c1ccn2cncc2c1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccn2cncc2c1)N[*:1]
C[C@H](CNC(=O)c1ccn2cncc2c1)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@H](CNC(=O)c1ccn2cncc2c1)[*:1]
CC(C)c1cccc(N2CCC(=O)[C@@H](C)[C@H]2C)c1 CC(C)[*:1] C[C@@H]1C(=O)CCN(c2cccc(c2)[*:1])[C@@H]1C
O=C(CCCc1ccc(Cl)cc1)NCc1ccccc1CO Clc1ccc(cc1)[*:1] O=C(CCC[*:1])NCc1ccccc1CO
CCC(CC)NC(=O)c1cc(Cl)nc2ccccc12 CCC(CC)[*:1] O=C(N[*:1])c1cc(Cl)nc2ccccc12
CN(C(=O)NC[C@H]1CCCN(c2ncccn2)C1)C1CCCCCCC1 c1cnc(nc1)[*:1] CN(C(=O)NC[C@H]1CCCN(C1)[*:1])C1CCCCCCC1
CN(C(=O)NC[C@H]1CCCN(c2ncccn2)C1)C1CCCCCCC1 C1CCCC(CCC1)[*:1] CN(C(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
COc1cc(C(=O)N2C[C@H](C)CCC[C@H]2C)cc(NC(C)=O)c1OC CC(=O)N[*:1] COc1cc(cc(c1OC)[*:1])C(=O)N1C[C@H](C)CCC[C@H]1C
CCC1(CC)[C@@H](NC(=O)NC[C@@H](C)c2c(C)noc2C)[C@H](C)[C@@H]1OC Cc1noc(C)c1[*:1] CCC1(CC)[C@@H](NC(=O)NC[C@@H](C)[*:1])[C@H](C)[C@@H]1OC
CC[C@](C)(Nc1cccc(Br)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(Nc1cccc(Br)c1)[*:1]
CCC[C@H]1C[C@H]1NC(=O)Nc1cc(F)ccc1OC CCC[*:1] COc1ccc(F)cc1NC(=O)N[C@@H]1C[C@@H]1[*:1]
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(F)cc2C(N)=O)c1 O=[N+]([O-])[*:1] CSc1ccc(c(c1)C(=O)Nc1cc(C)c(F)cc1C(N)=O)[*:1]
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)c(F)cc2C(N)=O)c1 NC(=O)[*:1] CSc1ccc(c(c1)C(=O)Nc1cc(C)c(F)cc1[*:1])[N+](=O)[O-]
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC)cc2)c1C CCC[*:1] CNC(=O)c1ccc(cc1)NC(=O)/C(C#N)=C/c1cc(C)n(c1C)[*:1]
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)NC)cc2)c1C CNC(=O)[*:1] CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(cc2)[*:1])c1C
Cc1cc(CNC(=O)[C@H](NC(=O)Nc2ccccc2)C(C)C)c(C)o1 CC(C)[*:1] Cc1cc(CNC(=O)[C@H](NC(=O)Nc2ccccc2)[*:1])c(C)o1
Cc1cc(CNC(=O)[C@H](NC(=O)Nc2ccccc2)C(C)C)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(CNC(=O)[C@H](NC(=O)N[*:1])C(C)C)c(C)o1
Cc1cc(CNC(=O)[C@H](NC(=O)Nc2ccccc2)C(C)C)c(C)o1 Cc1cc(C[*:1])c(C)o1 CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N[*:1]
Cc1cc(CNC(=O)[C@H](NC(=O)Nc2ccccc2)C(C)C)c(C)o1 Cc1cc(c(C)o1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[*:1]
C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1CO)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1CO)c1ccc(cc1)[*:1]
COC(=O)c1cc(C(C)C)sc1NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)c1cc(sc1NC(=O)[*:1])C(C)C
COC(=O)c1cc(C(C)C)sc1NC(=O)c1ccccc1Cl COC(=O)[*:1] CC(C)c1cc(c(NC(=O)c2ccccc2Cl)s1)[*:1]
COC(=O)c1cc(C(C)C)sc1NC(=O)c1ccccc1Cl CC(C)[*:1] COC(=O)c1cc(sc1NC(=O)c1ccccc1Cl)[*:1]
c1ccc(SCc2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 c1ccc(cc1)S[*:1] C1C2CC3CC1CC(C2)(C3)c1nn2c(C[*:1])nnc2s1
c1ccc(SCc2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 c1ccc(cc1)SC[*:1] C1C2CC3CC1CC(C2)(C3)c1nn2c(nnc2s1)[*:1]
c1ccc(SCc2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 c1ccc(cc1)[*:1] C(S[*:1])c1nnc2sc(nn12)C12CC3CC(CC(C3)C1)C2
CCN1C(=O)[C@](C)(C(=O)Nc2ccc(F)cc2)Sc2ccccc21 Fc1ccc(cc1)[*:1] CCN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)N[*:1]
CSCC[C@@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)N1C(=O)c2ccccc2C1=O CSCC[*:1] O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CSCC[C@@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)N1C(=O)c2ccccc2C1=O CSC[*:1] O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@H](C[*:1])N1C(=O)c2ccccc2C1=O
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=O C1CCN(C1)[*:1] Cc1nn(-c2ccccc2)c(c1C=O)[*:1]
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=O c1ccc(cc1)[*:1] Cc1nn(c(c1C=O)N1CCCC1)[*:1]
O=C(NCC1(c2ccncc2)CC1)c1ccc(OCc2cscn2)cc1 c1nc(cs1)[*:1] O=C(NCC1(CC1)c1ccncc1)c1ccc(cc1)OC[*:1]
O=C(NCC1(c2ccncc2)CC1)c1ccc(OCc2cscn2)cc1 c1nc(cs1)C[*:1] O=C(NCC1(CC1)c1ccncc1)c1ccc(cc1)O[*:1]
O=C(NCC1(c2ccncc2)CC1)c1ccc(OCc2cscn2)cc1 c1nc(cs1)CO[*:1] O=C(NCC1(CC1)c1ccncc1)c1ccc(cc1)[*:1]
O=C(NCC1(c2ccncc2)CC1)c1ccc(OCc2cscn2)cc1 c1cc(ccn1)[*:1] O=C(NCC1(CC1)[*:1])c1ccc(cc1)OCc1cscn1
Cc1ccc([C@@H](CC(=O)N2CCCCCC2)N2Cc3ccccc3C2=O)cc1 O=C(N1CCCCCC1)[*:1] Cc1ccc(cc1)[C@@H](C[*:1])N1Cc2ccccc2C1=O
Cc1ccc([C@@H](CC(=O)N2CCCCCC2)N2Cc3ccccc3C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@@H](N1Cc2ccccc2C1=O)[*:1])N1CCCCCC1
COc1cc(C[NH+]2CCC2(C)C)ccc1OCC(F)(F)F FC(F)(F)C[*:1] COc1cc(ccc1O[*:1])C[NH+]1CCC1(C)C
COc1cc(C[NH+]2CCC2(C)C)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1cc(ccc1[*:1])C[NH+]1CCC1(C)C
COc1cc(C[NH+]2CCC2(C)C)ccc1OCC(F)(F)F FC(F)(F)[*:1] COc1cc(ccc1OC[*:1])C[NH+]1CCC1(C)C
COc1ccc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)cc1 COc1ccc(cc1)[*:1] OC1CC[NH+](CC1)Cc1cccc(c1)NC[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)c3cnn(CC(C)C)c3C3CC3)cc12 COC(=O)[*:1] CC(C)Cn1ncc(C(=O)Nc2ccc3[nH]nc(c3c2)[*:1])c1C1CC1
COC(=O)c1n[nH]c2ccc(NC(=O)c3cnn(CC(C)C)c3C3CC3)cc12 CC(C)[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)c1cnn(C[*:1])c1C1CC1
COC(=O)c1n[nH]c2ccc(NC(=O)c3cnn(CC(C)C)c3C3CC3)cc12 CC(C)C[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)c1cnn(c1C1CC1)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)c3cnn(CC(C)C)c3C3CC3)cc12 C1CC1[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)c1cnn(CC(C)C)c1[*:1]
Cn1cccc1CN(Cc1ccccc1)C[C@H](O)c1ccco1 c1ccc(cc1)[*:1] Cn1cccc1CN(C[C@H](O)c1ccco1)C[*:1]
Cn1cccc1CN(Cc1ccccc1)C[C@H](O)c1ccco1 Cn1cccc1C[*:1] O[C@@H](CN(Cc1ccccc1)[*:1])c1ccco1
Cn1cccc1CN(Cc1ccccc1)C[C@H](O)c1ccco1 c1coc(c1)[*:1] Cn1cccc1CN(Cc1ccccc1)C[C@H](O)[*:1]
Cn1cccc1CN(Cc1ccccc1)C[C@H](O)c1ccco1 Cn1cccc1[*:1] O[C@@H](CN(Cc1ccccc1)C[*:1])c1ccco1
Cn1cccc1CN(Cc1ccccc1)C[C@H](O)c1ccco1 c1ccc(cc1)C[*:1] Cn1cccc1CN(C[C@H](O)c1ccco1)[*:1]
Cc1ccc2nc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc(=O)n2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(cc(=O)n2c1)CN1C(=O)NC(C1=O)(c1ccccc1)[*:1]
CC(C)[C@H](C)N(C(=O)c1ccc2c(c1)NC(=O)CCS2)C1CC1 CC(C)[C@H](C)[*:1] O=C1CCSc2ccc(cc2N1)C(=O)N(C1CC1)[*:1]
CC(C)[C@H](C)N(C(=O)c1ccc2c(c1)NC(=O)CCS2)C1CC1 CC(C)[*:1] C[C@H](N(C(=O)c1ccc2SCCC(=O)Nc2c1)C1CC1)[*:1]
CC(C)[C@H](C)N(C(=O)c1ccc2c(c1)NC(=O)CCS2)C1CC1 C1CC1[*:1] CC(C)[C@H](C)N(C(=O)c1ccc2SCCC(=O)Nc2c1)[*:1]
COc1ccc(SCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 COc1ccc(cc1)[*:1] CC(C)C(=O)Nc1cccc(c1)NC(=O)CS[*:1]
COc1ccc(SCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 CC(C)[*:1] COc1ccc(cc1)SCC(=O)Nc1cccc(c1)NC(=O)[*:1]
COc1ccc(SCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 CC(C)C(=O)N[*:1] COc1ccc(cc1)SCC(=O)Nc1cccc(c1)[*:1]
Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)s1 Cc1ccc(s1)[*:1] C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)[*:1]
CCCn1nc(C(=O)NNC(=O)Cc2ccccc2F)c2ccccc2c1=O Fc1ccccc1[*:1] CCCn1nc(C(=O)NNC(=O)C[*:1])c2ccccc2c1=O
CCCn1nc(C(=O)NNC(=O)Cc2ccccc2F)c2ccccc2c1=O Fc1ccccc1C[*:1] CCCn1nc(C(=O)NNC(=O)[*:1])c2ccccc2c1=O
CCCn1nc(C(=O)NNC(=O)Cc2ccccc2F)c2ccccc2c1=O CCC[*:1] O=C(Cc1ccccc1F)NNC(=O)c1nn(c(=O)c2ccccc12)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)NCc1ccc2c(c1)OCCO2 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)NCc1ccc2OCCOc2c1)[*:1]
COc1nn(C)cc1C(=O)NCc1cc(-c2ccc(F)cc2)on1 COc1nn(C)cc1[*:1] O=C(NCc1cc(on1)-c1ccc(F)cc1)[*:1]
COc1nn(C)cc1C(=O)NCc1cc(-c2ccc(F)cc2)on1 Fc1ccc(cc1)[*:1] COc1nn(C)cc1C(=O)NCc1cc(on1)[*:1]
NNc1cc(C(F)(F)F)c(Br)cc1Br FC(F)(F)[*:1] NNc1cc(c(Br)cc1Br)[*:1]
CCC(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](C)[C@H](O)C1 CCC(=O)N[*:1] CSCC[C@@H](C(=O)N1CC[C@@H](C)[C@H](O)C1)[*:1]
CCC(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](C)[C@H](O)C1 CSCC[*:1] CCC(=O)N[C@@H](C(=O)N1CC[C@@H](C)[C@H](O)C1)[*:1]
CCC(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](C)[C@H](O)C1 CSC[*:1] CCC(=O)N[C@@H](C[*:1])C(=O)N1CC[C@@H](C)[C@H](O)C1
CCCn1cc(Br)cc1C(=O)NC[C@H]1CC[C@@H](C(=O)[O-])O1 CCC[*:1] O=C(NC[C@H]1CC[C@H](O1)C(=O)[O-])c1cc(Br)cn1[*:1]
CCCn1cc(Br)cc1C(=O)NC[C@H]1CC[C@@H](C(=O)[O-])O1 O=C([O-])[*:1] CCCn1cc(Br)cc1C(=O)NC[C@H]1CC[C@@H](O1)[*:1]
O=C(Nc1ccccc1)c1cccc(NC(=S)NC(=O)C2CCCCC2)c1 O=C(Nc1ccccc1)[*:1] O=C(NC(=S)Nc1cccc(c1)[*:1])C1CCCCC1
O=C(Nc1ccccc1)c1cccc(NC(=S)NC(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(Nc1ccccc1)c1cccc(c1)NC(=S)NC(=O)[*:1]
O=C(Nc1ccccc1)c1cccc(NC(=S)NC(=O)C2CCCCC2)c1 c1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)NC(=S)NC(=O)C1CCCCC1
COC(=O)[C@H]1C[C@@](C#N)(c2ccccc2)CCC1=O COC(=O)[*:1] N#C[C@@]1(CCC(=O)[C@H](C1)[*:1])c1ccccc1
COC(=O)[C@H]1C[C@@](C#N)(c2ccccc2)CCC1=O c1ccc(cc1)[*:1] COC(=O)[C@H]1C[C@@](C#N)(CCC1=O)[*:1]
Cc1[nH+]c(C2CC[NH+](CC3=Cc4ccccc4OC3)CC2)nc(N2CCOCC2)c1C C1CN(CCO1)[*:1] Cc1[nH+]c(nc(c1C)[*:1])C1CC[NH+](CC1)CC1=Cc2ccccc2OC1
CC(C)c1c(NC(=O)CO[C@H]2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] CC(C)c1c(NC(=O)CO[C@H]2CCCC[C@H]2C)c(=O)n(n1C)[*:1]
CC(C)c1c(NC(=O)CO[C@H]2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C CC(C)[*:1] C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1c(n(C)n(-c2ccccc2)c1=O)[*:1]
CCOC(=O)c1cccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)c1 CCOC(=O)[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(c1)[*:1]
C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOCC1CCOCC1 C1CC(CCO1)[*:1] C[NH2+][C@]1(CCC[C@H]1CCOC[*:1])C(N)=O
C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOCC1CCOCC1 NC(=O)[*:1] C[NH2+][C@]1(CCC[C@H]1CCOCC1CCOCC1)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H](c1ccccc1)C(C)C CC(C)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H](c1ccccc1)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H](c1ccccc1)C(C)C c1ccc(cc1)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H](C(C)C)[*:1]
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2C)CC(=O)N1 Cc1ccccc1[*:1] CC1NC(=O)C[C@H](C=1C(=O)OC[C@H]1CCCO1)[*:1]
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2C)CC(=O)N1 C1CO[C@H](C1)C[*:1] CC1NC(=O)C[C@@H](C=1C(=O)O[*:1])c1ccccc1C
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2C)CC(=O)N1 C1CO[C@H](C1)[*:1] CC1NC(=O)C[C@@H](C=1C(=O)OC[*:1])c1ccccc1C
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 CC[C@H](C)[*:1] C[C@H](NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 CC[C@H](C)NC(=O)[*:1] C[C@H](NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(Cl)c(c1)[*:1]
COCCC(=O)N1CCC([NH2+]Cc2cn(C)nc2-c2ccccc2)CC1 COCC[*:1] Cn1cc(C[NH2+]C2CCN(CC2)C(=O)[*:1])c(n1)-c1ccccc1
COCCC(=O)N1CCC([NH2+]Cc2cn(C)nc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] COCCC(=O)N1CCC(CC1)[NH2+]Cc1cn(C)nc1[*:1]
COCCC(=O)N1CCC([NH2+]Cc2cn(C)nc2-c2ccccc2)CC1 COC[*:1] Cn1cc(C[NH2+]C2CCN(CC2)C(=O)C[*:1])c(n1)-c1ccccc1
O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(Oc1cccc(c1)N1C(=O)c2ccccc2C1=O)c1cccc(c1)[*:1]
O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=C1c2ccccc2C(=O)N1[*:1] O=C(Oc1cccc(c1)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
CCCc1cc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)n(C)n1 CCC[*:1] C[C@@H](C(=O)Nc1cc(nn1C)[*:1])N1C(=O)c2ccccc2C1=O
CSc1nnc2c(n1)O[C@@H](c1ccccc1OC(F)F)Nc1ccccc1-2 FC(F)[*:1] CSc1nnc2-c3ccccc3N[C@@H](Oc2n1)c1ccccc1O[*:1]
CSc1nnc2c(n1)O[C@@H](c1ccccc1OC(F)F)Nc1ccccc1-2 FC(F)O[*:1] CSc1nnc2-c3ccccc3N[C@@H](Oc2n1)c1ccccc1[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)N(C)CC(C)(C)O)C1 CC(C)(O)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)N(C)C[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)N(C)CC(C)(C)O)C1 CC(C)(O)C[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)N(C)[*:1]
COc1ccccc1NC(=O)CCS[C@@H]1CCc2ccccc2N=C1O COc1ccccc1[*:1] O=C(CCS[C@@H]1CCc2ccccc2N=C1O)N[*:1]
COc1ccc(S(=O)(=O)c2cnc3cc4c(cc3c2N2CCCCCC2)OCCO4)cc1 COc1ccc(cc1)[*:1] O=S(=O)(c1cnc2cc3OCCOc3cc2c1N1CCCCCC1)[*:1]
COc1ccc(S(=O)(=O)c2cnc3cc4c(cc3c2N2CCCCCC2)OCCO4)cc1 C1CCCN(CC1)[*:1] COc1ccc(cc1)S(=O)(=O)c1cnc2cc3OCCOc3cc2c1[*:1]
O=C1CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O O=[N+]([O-])[*:1] O=C1CCCN1C(=O)Cn1cc(ccc1=O)[*:1]
Cc1cscc1C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 Cc1cscc1[*:1] O=C(N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
Cc1cscc1C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] Cc1cscc1C(=O)N1CC[C@H](C1)Oc1ccc(cn1)[*:1]
C/C=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1 CC=C[*:1] COc1cc(ccc1OCC(=O)Nc1cc(Cl)ccc1Cl)[*:1]
C/C=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1 Clc1ccc(Cl)c(c1)[*:1] C/C=C/c1ccc(OCC(=O)N[*:1])c(c1)OC
C[C@@]1(C2CC2)CN(CC2CC2)c2ccccc2C[NH2+]1 C1CC1[*:1] C[C@]1(CN(CC2CC2)c2ccccc2C[NH2+]1)[*:1]
C[C@@]1(C2CC2)CN(CC2CC2)c2ccccc2C[NH2+]1 C1CC1C[*:1] C[C@]1(CN(c2ccccc2C[NH2+]1)[*:1])C1CC1
C[C@@]1(C2CC2)CN(CC2CC2)c2ccccc2C[NH2+]1 C1CC1[*:1] C[C@]1(CN(C[*:1])c2ccccc2C[NH2+]1)C1CC1
CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCC1 O=[N+]([O-])[*:1] CCC1(CCCC1)C(=O)Nc1cc(ccc1O)[*:1]
CC(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 CC(C)NC(=O)[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NCC[*:1]
CC(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 CC(C)NC(=O)C[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
CC(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NCCC(=O)N[*:1]
Cc1ccc(OC2(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)CC[NH2+]CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@@H]1c2ccccc2C[C@@H]1O)C1(CC[NH2+]CC1)O[*:1]
Cc1ccc(OC2(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)CC[NH2+]CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(N[C@@H]1c2ccccc2C[C@@H]1O)C1(CC[NH2+]CC1)[*:1]
Cc1cc(C)cc([C@H]2OCC[C@H]2C[NH2+]C(C)C)c1 CC(C)[*:1] Cc1cc(C)cc(c1)[C@H]1OCC[C@H]1C[NH2+][*:1]
O=C(CC(F)(F)F)N1CCN(C(=O)N[C@@H]2CCC[C@@H](C3CC3)C2)CC1 C1CC1[*:1] O=C(CC(F)(F)F)N1CCN(CC1)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
O=C(CC(F)(F)F)N1CCN(C(=O)N[C@@H]2CCC[C@@H](C3CC3)C2)CC1 FC(F)(F)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)N[C@@H]1CCC[C@H](C1)C1CC1
O=C(CC(F)(F)F)N1CCN(C(=O)N[C@@H]2CCC[C@@H](C3CC3)C2)CC1 FC(F)(F)C[*:1] O=C(N[C@@H]1CCC[C@H](C1)C1CC1)N1CCN(CC1)C(=O)[*:1]
COc1cc2[nH]c(=S)n(CCCO)c(=O)c2cc1OC OCC[*:1] COc1cc2[nH]c(=S)n(C[*:1])c(=O)c2cc1OC
COc1cc2[nH]c(=S)n(CCCO)c(=O)c2cc1OC OCCC[*:1] COc1cc2[nH]c(=S)n(c(=O)c2cc1OC)[*:1]
O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=C(CCc1ccc(cc1)S(=O)(=O)N1CCCCC1)Nc1cccc(c1)[*:1]
O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc(-n2cnnn2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(CCc1ccc(cc1)[*:1])Nc1cccc(c1)-n1cnnn1
C=CCn1ccc(=O)nc1SCc1ccccc1 C=CC[*:1] O=c1ccn(c(n1)SCc1ccccc1)[*:1]
C=CCn1ccc(=O)nc1SCc1ccccc1 c1ccc(cc1)[*:1] C=CCn1ccc(=O)nc1SC[*:1]
COc1ccc(C(=O)N2CCO[C@@H](CN(C[C@H]3CCCO3)C(=O)c3cccc(F)c3)C2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)N1CCO[C@H](C1)CN(C[C@H]1CCCO1)C(=O)[*:1]
COc1ccc(C(=O)N2CCO[C@@H](CN(C[C@H]3CCCO3)C(=O)c3cccc(F)c3)C2)cc1 COc1ccc(cc1)[*:1] O=C(c1cccc(F)c1)N(C[C@H]1CCCO1)C[C@H]1CN(CCO1)C(=O)[*:1]
CSc1ccc(NC(=O)N[C@@H](C)c2cnn(-c3ccccc3C)c2C)cc1 Cc1ccccc1[*:1] CSc1ccc(cc1)NC(=O)N[C@@H](C)c1cnn(c1C)[*:1]
CSc1ccc(NC(=O)N[C@@H](C)c2cnn(-c3ccccc3C)c2C)cc1 CSc1ccc(cc1)[*:1] Cc1ccccc1-n1ncc(c1C)[C@H](C)NC(=O)N[*:1]
Cc1csc2nc(C[NH+](CC(C)C)C3CCCCC3)cc(=O)n12 CC(C)C[*:1] Cc1csc2nc(cc(=O)n12)C[NH+](C1CCCCC1)[*:1]
Cc1csc2nc(C[NH+](CC(C)C)C3CCCCC3)cc(=O)n12 CC(C)[*:1] Cc1csc2nc(cc(=O)n12)C[NH+](C[*:1])C1CCCCC1
Cc1csc2nc(C[NH+](CC(C)C)C3CCCCC3)cc(=O)n12 C1CCC(CC1)[*:1] Cc1csc2nc(cc(=O)n12)C[NH+](CC(C)C)[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)[O-] C[C@@H]1C[C@H]1[*:1] O=C([O-])c1cc(F)ccc1NC(=O)[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)[O-] O=C([O-])[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Cl)nn1 CC(C)[*:1] O=C(N[C@@H](C(=O)Nc1ccc(Cl)nn1)[*:1])c1ccccc1Cl
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Cl)nn1 Clc1ccc(nn1)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Cl)nn1 Clc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)Nc1ccc(Cl)nn1
O=C(NCc1ccccc1CO)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 c1csc(c1)[*:1] O=C(NCc1ccccc1CO)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(NCc1ccccc1CO)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 OCc1ccccc1[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1cccs1
CCn1ccnc(N(C)CC(=O)NC2CC2)c1=O C1CC1[*:1] CCn1ccnc(c1=O)N(C)CC(=O)N[*:1]
CCn1ccnc(N(C)CC(=O)NC2CC2)c1=O O=C(NC1CC1)[*:1] CCn1ccnc(c1=O)N(C)C[*:1]
COc1cc(C(=O)NCc2ccc(Cl)s2)ccc1OC1CC[NH+](C)CC1 Clc1ccc(C[*:1])s1 COc1cc(ccc1OC1CC[NH+](C)CC1)C(=O)N[*:1]
COc1cc(C(=O)NCc2ccc(Cl)s2)ccc1OC1CC[NH+](C)CC1 Clc1ccc(s1)[*:1] COc1cc(ccc1OC1CC[NH+](C)CC1)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 O=S(=O)(NC1CC1)[*:1] Cc1ccc(cc1C(=O)N1CCC[C@@H](C1)[C@@]1(C)NC(=O)NC1=O)[*:1]
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 C1CC1[*:1] Cc1ccc(cc1C(=O)N1CCC[C@@H](C1)[C@@]1(C)NC(=O)NC1=O)S(=O)(=O)N[*:1]
CCc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc1 CCc1ccc(cc1)[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)OC1CCCCC1)[*:1]
CCc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc1 O=C(OC1CCCCC1)[*:1] CCc1ccc(cc1)[C@@H]1C(=C(C)Nc2nnnn21)[*:1]
CCc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc1 C1CCC(CC1)[*:1] CCc1ccc(cc1)[C@@H]1C(C(=O)O[*:1])=C(C)Nc2nnnn21
C[C@@H](CC(=O)N(C)c1ccccn1)Cc1ccc(Cl)cc1 c1ccc(nc1)[*:1] C[C@@H](CC(=O)N(C)[*:1])Cc1ccc(Cl)cc1
C[C@@H](CC(=O)N(C)c1ccccn1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)N(C)c1ccccn1)C[*:1]
CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 CC(C)NS(=O)(=O)[*:1] CC1(C)[C@@H](NC(=O)c2cccc(c2)[*:1])[C@@H]2CCO[C@@H]21
CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 CC(C)[*:1] CC1(C)[C@@H](NC(=O)c2cccc(c2)S(=O)(=O)N[*:1])[C@@H]2CCO[C@@H]21
CCOC(=O)/C=C/c1ccc([O-])c([N+](=O)[O-])c1 CCOC(=O)[*:1] O=[N+]([O-])c1cc(C=C[*:1])ccc1[O-]
CCOC(=O)/C=C/c1ccc([O-])c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)/C=C/c1ccc([O-])c(c1)[*:1]
N#Cc1cccnc1N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)[*:1]
C[C@@H](C#N)CN(C)C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] C[C@@H](C#N)CN(C)C(=O)N1CCC(CC1)[*:1]
C[C@@H](C#N)CN(C)C(=O)N1CCC(CC(=O)[O-])CC1 C[C@@H](C#N)[*:1] CN(C[*:1])C(=O)N1CCC(CC1)CC(=O)[O-]
C[C@@H](C#N)CN(C)C(=O)N1CCC(CC(=O)[O-])CC1 C[C@@H](C#N)C[*:1] CN(C(=O)N1CCC(CC1)CC(=O)[O-])[*:1]
C[C@@H](C#N)CN(C)C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] C[C@@H](C#N)CN(C)C(=O)N1CCC(CC1)C[*:1]
O=C(NCc1ccc(F)cc1)C1CN(C(=O)c2cccs2)C1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])C1CN(C1)C(=O)c1cccs1
O=C(NCc1ccc(F)cc1)C1CN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] O=C(NCc1ccc(F)cc1)C1CN(C1)C(=O)[*:1]
CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 c1cc2OCOc2cc1[*:1] CC1NC(=O)N[C@H](C=1C(=O)OC1CCCCCCC1)[*:1]
CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 C1CCCC(CCC1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)O[*:1])c1ccc2OCOc2c1
CCn1cc(C(=O)NCCc2csc(-n3nc(C)cc3C)n2)c(=O)c2ccc(C)nc21 Cc1cc(C)n(n1)[*:1] CCn1cc(C(=O)NCCc2csc(n2)[*:1])c(=O)c2ccc(C)nc21
Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NCC(=O)N[C@@H]1CCCc2ccccc21
COc1cccc(C(=O)CS(=O)(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)CS(=O)(=O)[*:1]
COc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)c(OC)c1OC c1ccc(cc1)[*:1] COc1ccc(CNc2ccc3nnc(n3n2)[*:1])c(OC)c1OC
COc1cc(C/N=C(\C)C2C(=O)NC(=O)N(c3cc(Cl)ccc3Cl)C2=O)cc(OC)c1OC Clc1ccc(Cl)c(c1)[*:1] COc1cc(cc(OC)c1OC)C/N=C(\C)C1C(=O)NC(=O)N(C1=O)[*:1]
C[C@@H](OC(=O)c1ccccc1F)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](OC(=O)c1ccccc1F)C(=O)N[*:1]
CC(C)N(CC[NH+](C)C)C(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] CC(C)N(CC[NH+](C)C)C(=O)c1ncccc1[*:1]
CC(C)N(CC[NH+](C)C)C(=O)c1ncccc1C(F)(F)F CC(C)[*:1] C[NH+](C)CCN(C(=O)c1ncccc1C(F)(F)F)[*:1]
O=C(Cn1cnc2cc(F)ccc2c1=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] O=C(Cn1cnc2cc(F)ccc2c1=O)N[*:1]
CC(C)(C)OC(=O)CSc1nc([O-])cc(=O)n1-c1ccc(Cl)cc1 CC(C)(C)[*:1] O=C(CSc1nc([O-])cc(=O)n1-c1ccc(Cl)cc1)O[*:1]
CC(C)(C)OC(=O)CSc1nc([O-])cc(=O)n1-c1ccc(Cl)cc1 CC(C)(C)OC(=O)C[*:1] O=c1cc([O-])nc(S[*:1])n1-c1ccc(Cl)cc1
CC(C)(C)OC(=O)CSc1nc([O-])cc(=O)n1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C)OC(=O)CSc1nc([O-])cc(=O)n1[*:1]
CC(C)(C)OC(=O)CSc1nc([O-])cc(=O)n1-c1ccc(Cl)cc1 CC(C)(C)OC(=O)[*:1] O=c1cc([O-])nc(SC[*:1])n1-c1ccc(Cl)cc1
CC(=O)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 CC(=O)[*:1] c1cc(ccc1-n1nncc1C12CC3CC(CC(C3)C1)C2)[*:1]
COc1cc(CNC(=O)NC(C)(C)c2nc(C)cs2)c2ccccc2n1 Cc1csc(n1)[*:1] COc1cc(CNC(=O)NC(C)(C)[*:1])c2ccccc2n1
C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1F Fc1ccccc1[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1cccc(C)c1
C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1F Cc1cccc(c1)[*:1] C=CCn1c(nnc1-c1ccccc1F)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1F C=CC[*:1] Cc1cccc(c1)NC(=O)CSc1nnc(-c2ccccc2F)n1[*:1]
COc1ccc(OC)c(NC(=O)[C@@H](C)Br)c1 C[C@@H](Br)[*:1] COc1ccc(OC)c(c1)NC(=O)[*:1]
CCN1C(=O)[C@@](C)(C(=O)NCC(C)C)Oc2ccccc21 CC(C)[*:1] CCN1C(=O)[C@](C)(Oc2ccccc21)C(=O)NC[*:1]
CCN1C(=O)[C@@](C)(C(=O)NCC(C)C)Oc2ccccc21 CC(C)CNC(=O)[*:1] CCN1C(=O)[C@@](C)(Oc2ccccc21)[*:1]
CCN1C(=O)[C@@](C)(C(=O)NCC(C)C)Oc2ccccc21 CC(C)C[*:1] CCN1C(=O)[C@](C)(Oc2ccccc21)C(=O)N[*:1]
CC(C)[C@@H](CO)NC(=O)N[C@H]1CCCc2c1cnn2C CC(C)[C@@H](CO)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N[*:1]
CC(C)[C@@H](CO)NC(=O)N[C@H]1CCCc2c1cnn2C CC(C)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@H](CO)[*:1]
C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1c[nH]c(CO)c1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)S(=O)(=O)c1c[nH]c(c1)CO
C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1c[nH]c(CO)c1 c1csc(c1)C[*:1] C[C@@H](N(C)S(=O)(=O)c1c[nH]c(c1)CO)[*:1]
Cc1noc2ncc(NC(=O)CCO[C@@H](C)CC(C)C)cc12 CC(C)C[C@H](C)O[*:1] Cc1noc2ncc(cc12)NC(=O)CC[*:1]
Cc1noc2ncc(NC(=O)CCO[C@@H](C)CC(C)C)cc12 CC(C)C[*:1] Cc1noc2ncc(cc12)NC(=O)CCO[C@@H](C)[*:1]
Cc1noc2ncc(NC(=O)CCO[C@@H](C)CC(C)C)cc12 CC(C)[*:1] Cc1noc2ncc(cc12)NC(=O)CCO[C@@H](C)C[*:1]
Cc1noc2ncc(NC(=O)CCO[C@@H](C)CC(C)C)cc12 CC(C)C[C@H](C)[*:1] Cc1noc2ncc(cc12)NC(=O)CCO[*:1]
Cc1cc(C)nc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccc3c(c2)OCO3)n1 Cc1cc(C)nc(n1)[*:1] Cc1nn(c2NC(=O)C[C@@H](c3ccc4OCOc4c3)c12)[*:1]
Cc1cc(C)nc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccc3c(c2)OCO3)n1 c1cc2OCOc2cc1[*:1] Cc1cc(C)nc(n1)-n1nc(C)c2c1NC(=O)C[C@@H]2[*:1]
CC(C)CC[C@H](C)NC(=O)OCCO CC(C)C[*:1] C[C@@H](C[*:1])NC(=O)OCCO
CC(C)CC[C@H](C)NC(=O)OCCO OCC[*:1] CC(C)CC[C@H](C)NC(=O)O[*:1]
CC(C)CC[C@H](C)NC(=O)OCCO CC(C)[*:1] C[C@@H](CC[*:1])NC(=O)OCCO
COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)C(=O)NCC[NH+]1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CC[NH+](CCNC(=O)[*:1])CC1
CCOc1cc2c(cc1NC(=O)CC[C@H]1NC(=O)NC1=O)O[C@@H](C)C2 O=C1NC(=O)[C@H](N1)[*:1] CCOc1cc2C[C@H](C)Oc2cc1NC(=O)CC[*:1]
CCOc1cc2c(cc1NC(=O)CC[C@H]1NC(=O)NC1=O)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)NC(=O)CC[C@H]1NC(=O)NC1=O)[*:1]
CCOc1cc2c(cc1NC(=O)CC[C@H]1NC(=O)NC1=O)O[C@@H](C)C2 O=C1NC(=O)[C@@H](C[*:1])N1 CCOc1cc2C[C@H](C)Oc2cc1NC(=O)C[*:1]
C[C@H](CC(C)(C)c1ccccc1)NC(=O)N[C@H]1CCC[C@@H]1C(N)=O NC(=O)[*:1] C[C@H](CC(C)(C)c1ccccc1)NC(=O)N[C@H]1CCC[C@H]1[*:1]
C[C@H](CC(C)(C)c1ccccc1)NC(=O)N[C@H]1CCC[C@@H]1C(N)=O c1ccc(cc1)[*:1] C[C@H](CC(C)(C)[*:1])NC(=O)N[C@H]1CCC[C@@H]1C(N)=O
CN(Cc1cc(-c2ccccc2)on1)C(=O)C[C@H]1NC(=O)c2ccccc21 c1ccc(cc1)[*:1] CN(Cc1cc(on1)[*:1])C(=O)C[C@H]1NC(=O)c2ccccc21
Cc1cccnc1CN1CCN(C(=O)CCn2cnnn2)CC1 Cc1cccnc1[*:1] O=C(CCn1cnnn1)N1CCN(CC1)C[*:1]
Cc1cccnc1CN1CCN(C(=O)CCn2cnnn2)CC1 c1nnnn1[*:1] Cc1cccnc1CN1CCN(CC1)C(=O)CC[*:1]
Cc1cccnc1CN1CCN(C(=O)CCn2cnnn2)CC1 c1nnnn1CC[*:1] Cc1cccnc1CN1CCN(CC1)C(=O)[*:1]
Cc1cccnc1CN1CCN(C(=O)CCn2cnnn2)CC1 c1nnnn1C[*:1] Cc1cccnc1CN1CCN(CC1)C(=O)C[*:1]
COc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(NCc1nc2cccnc2n1C1CC1)[*:1]
COc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)S(=O)(=O)NCc1nc2cccnc2n1[*:1]
CCOc1ccc(-c2noc(CS[C@H](C)C(C)=O)n2)cc1 CC(=O)[*:1] CCOc1ccc(cc1)-c1noc(CS[C@H](C)[*:1])n1
CCOc1ccc(-c2noc(CS[C@H](C)C(C)=O)n2)cc1 CCO[*:1] CC(=O)[C@@H](C)SCc1nc(no1)-c1ccc(cc1)[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 O=C1CCCN1[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1nc(N2CCC[C@@H](C(=O)c3sccc3C)C2)c2c(C)noc2n1 Cc1ccsc1C(=O)[*:1] Cc1nc(c2c(C)noc2n1)N1CCC[C@@H](C1)[*:1]
Cc1nc(N2CCC[C@@H](C(=O)c3sccc3C)C2)c2c(C)noc2n1 Cc1ccsc1[*:1] Cc1nc(c2c(C)noc2n1)N1CCC[C@H](C1)C(=O)[*:1]
COc1ccc(C[C@@H]2CN(Cc3csc(C(C)=O)c3)CCO2)cc1 CC(=O)[*:1] COc1ccc(cc1)C[C@@H]1CN(CCO1)Cc1csc(c1)[*:1]
COc1ccc(C[C@@H]2CN(Cc3csc(C(C)=O)c3)CCO2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1cc(cs1)CN1CCO[C@@H](C1)C[*:1]
COc1ccc(C[C@@H]2CN(Cc3csc(C(C)=O)c3)CCO2)cc1 CC(=O)c1cc(cs1)[*:1] COc1ccc(cc1)C[C@@H]1CN(CCO1)C[*:1]
Cc1nc(/C(N)=N/OC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cs1 Cc1nc(cs1)[*:1] Cc1onc(c1C(=O)O/N=C(\N)[*:1])-c1c(Cl)cccc1Cl
Cc1nc(/C(N)=N/OC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cs1 Clc1cccc(Cl)c1[*:1] Cc1nc(cs1)/C(N)=N/OC(=O)c1c(noc1C)[*:1]
Cc1nc(CCCO/N=C/c2ccc(F)cc2)cs1 Cc1nc(cs1)[*:1] Fc1ccc(/C=N/OCCC[*:1])cc1
CCCC(=O)Nc1ccc(NC(=O)C(C)C)nc1 CC(C)C(=O)N[*:1] CCCC(=O)Nc1ccc(nc1)[*:1]
CCCC(=O)Nc1ccc(NC(=O)C(C)C)nc1 CCC[*:1] CC(C)C(=O)Nc1ccc(cn1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(NC(=O)C(C)C)nc1 CCCC(=O)N[*:1] CC(C)C(=O)Nc1ccc(cn1)[*:1]
CCCC(=O)Nc1ccc(NC(=O)C(C)C)nc1 CC(C)[*:1] CCCC(=O)Nc1ccc(nc1)NC(=O)[*:1]
CC[NH2+][C@H](CSCC(C)C)[C@@H]1CCOC2(CCCC2)C1 CC(C)CS[*:1] CC[NH2+][C@H](C[*:1])[C@@H]1CCOC2(CCCC2)C1
CC[NH2+][C@H](CSCC(C)C)[C@@H]1CCOC2(CCCC2)C1 CC(C)[*:1] CC[NH2+][C@H](CSC[*:1])[C@@H]1CCOC2(CCCC2)C1
CC[NH2+][C@H](CSCC(C)C)[C@@H]1CCOC2(CCCC2)C1 CC(C)C[*:1] CC[NH2+][C@H](CS[*:1])[C@@H]1CCOC2(CCCC2)C1
CC[NH2+][C@H](CSCC(C)C)[C@@H]1CCOC2(CCCC2)C1 CC(C)CSC[*:1] CC[NH2+][C@H]([C@@H]1CCOC2(CCCC2)C1)[*:1]
Cc1cc(N2CC[C@H](NC(=O)c3cccc(-c4ccoc4)c3)C2=O)n(C)n1 c1cc(co1)[*:1] Cc1cc(N2CC[C@H](NC(=O)c3cccc(c3)[*:1])C2=O)n(C)n1
Cc1cc(N2CC[C@H](NC(=O)c3cccc(-c4ccoc4)c3)C2=O)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])c1cccc(c1)-c1ccoc1
Cc1c(C(=O)NNC(=O)Cc2csc(-c3ccccn3)n2)oc2ccccc12 c1ccc(nc1)[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)Cc1csc(n1)[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(=N1)c1ccccc1)Nc1ccc(cc1)[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(=N1)[*:1])Nc1ccc(cc1)-c1ccccc1
CC(C)Oc1cccc2c1c(NC(=O)N1CCOCC1)nn2Cc1ccccc1 O=C(N[*:1])N1CCOCC1 CC(C)Oc1cccc2c1c(nn2Cc1ccccc1)[*:1]
CC(C)Oc1cccc2c1c(NC(=O)N1CCOCC1)nn2Cc1ccccc1 CC(C)[*:1] O=C(Nc1nn(Cc2ccccc2)c2cccc(O[*:1])c12)N1CCOCC1
CC(C)Oc1cccc2c1c(NC(=O)N1CCOCC1)nn2Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)Oc1cccc2c1c(nn2[*:1])NC(=O)N1CCOCC1
CC(C)Oc1cccc2c1c(NC(=O)N1CCOCC1)nn2Cc1ccccc1 CC(C)O[*:1] O=C(Nc1nn(Cc2ccccc2)c2cccc(c12)[*:1])N1CCOCC1
CC(C)Oc1cccc2c1c(NC(=O)N1CCOCC1)nn2Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)Oc1cccc2c1c(nn2C[*:1])NC(=O)N1CCOCC1
C/C=C/COC(=O)n1nnc2cc(C)c(C)cc21 CC=C[*:1] Cc1cc2nnn(C(=O)OC[*:1])c2cc1C
C/C=C/COC(=O)n1nnc2cc(C)c(C)cc21 C/C=C/C[*:1] Cc1cc2nnn(C(=O)O[*:1])c2cc1C
C=C(OC)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)C3=CC[C@]21C C=C(OC)[*:1] C[C@@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)[C@@H]1CC[C@@]2(O)[*:1]
C[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1ccccc1C#N c1ccc(cc1)[*:1] C[C@H](N[C@H](c1ccco1)[*:1])C(=O)Nc1ccccc1C#N
C[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1ccccc1C#N N#Cc1ccccc1[*:1] C[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)N[*:1]
C[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1ccccc1C#N c1coc(c1)[*:1] C[C@H](N[C@H](c1ccccc1)[*:1])C(=O)Nc1ccccc1C#N
Cc1cc(C)cc(CS[C@@H](c2sccc2C)[C@H](C)[NH3+])c1 Cc1ccsc1[*:1] Cc1cc(C)cc(c1)CS[C@@H]([C@H](C)[NH3+])[*:1]
CCOC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccnc2Cl)C1 CCOC(=O)N[*:1] C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC[C@H](C1)[*:1]
CCOC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccnc2Cl)C1 Clc1ncccc1[*:1] CCOC(=O)N[C@@H]1CCCN(C1)[C@@H](C)C(=O)N[*:1]
CCOC(=O)c1c(C)n(-c2ccccc2C)c2ccc(OC(C)=O)cc12 CCOC(=O)[*:1] CC(=O)Oc1ccc2c(c1)c(c(C)n2-c1ccccc1C)[*:1]
CCOC(=O)c1c(C)n(-c2ccccc2C)c2ccc(OC(C)=O)cc12 CC(=O)O[*:1] CCOC(=O)c1c(C)n(-c2ccccc2C)c2ccc(cc12)[*:1]
CCOC(=O)c1c(C)n(-c2ccccc2C)c2ccc(OC(C)=O)cc12 Cc1ccccc1[*:1] CCOC(=O)c1c(C)n(c2ccc(cc12)OC(C)=O)[*:1]
CC(C)Cn1ccnc(NC[C@@H](C)Nc2ccccc2)c1=O c1ccc(cc1)N[*:1] CC(C)Cn1ccnc(NC[C@@H](C)[*:1])c1=O
CC(C)Cn1ccnc(NC[C@@H](C)Nc2ccccc2)c1=O CC(C)C[*:1] C[C@H](CNc1nccn(c1=O)[*:1])Nc1ccccc1
CC(C)Cn1ccnc(NC[C@@H](C)Nc2ccccc2)c1=O CC(C)[*:1] C[C@H](CNc1nccn(C[*:1])c1=O)Nc1ccccc1
CC(C)Cn1ccnc(NC[C@@H](C)Nc2ccccc2)c1=O c1ccc(cc1)[*:1] CC(C)Cn1ccnc(NC[C@@H](C)N[*:1])c1=O
C[C@H](NC(=O)c1ccc2cccc(F)c2n1)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)c1ccc2cccc(F)c2n1)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)on2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)NC[C@H]1CCCN(C1)C(=O)c1cc(no1)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)on2)cc1 CS(=O)(=O)NC[*:1] Cc1ccc(cc1)-c1cc(on1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)on2)cc1 CS(=O)(=O)N[*:1] Cc1ccc(cc1)-c1cc(on1)C(=O)N1CCC[C@@H](C1)C[*:1]
COC(=O)c1cc(C(=O)NCc2ccsc2)ccn1 c1cc(cs1)[*:1] COC(=O)c1cc(ccn1)C(=O)NC[*:1]
COC(=O)c1cc(C(=O)NCc2ccsc2)ccn1 COC(=O)[*:1] O=C(NCc1ccsc1)c1ccnc(c1)[*:1]
COC(=O)c1cc(C(=O)NCc2ccsc2)ccn1 c1cc(cs1)C[*:1] COC(=O)c1cc(ccn1)C(=O)N[*:1]
COc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(N)=O Cc1cc(Cl)ccc1[*:1] COc1cc(ccc1OCC(N)=O)C(=O)N[*:1]
COc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1ccc(Cl)cc1C
COc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1ccc(Cl)cc1C
COc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1ccc(Cl)cc1C
CCNC(=O)[C@H](C)Oc1ccc(F)cc1[C@H](C)O CCNC(=O)[*:1] C[C@H](O)c1cc(F)ccc1O[C@@H](C)[*:1]
CCNC(=O)[C@H](C)Oc1ccc(F)cc1[C@H](C)O C[C@H](O)[*:1] CCNC(=O)[C@H](C)Oc1ccc(F)cc1[*:1]
C[NH+]1CCN(C(=O)c2ccc(C[S@](=O)Cc3ccc(Cl)cc3)o2)CC1 Clc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(C[S@](=O)C[*:1])o1
C[NH+]1CCN(C(=O)c2ccc(C[S@](=O)Cc3ccc(Cl)cc3)o2)CC1 Clc1ccc(cc1)C[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(C[S@](=O)[*:1])o1
Cc1cc(C)c(C)c(OCCC(=O)Nc2ccnn2C(C)C)c1 CC(C)[*:1] Cc1cc(C)c(C)c(c1)OCCC(=O)Nc1ccnn1[*:1]
CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1CC(=O)N(CCOC)C1 COCC[*:1] CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1CC(=O)N(C1)[*:1]
CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1CC(=O)N(CCOC)C1 COC[*:1] CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CC(=O)Nc1ccc(-c2ccc([C@@H](C)N3CCOCC3)cc2)cn1 C1CN(CCO1)[*:1] CC(=O)Nc1ccc(cn1)-c1ccc(cc1)[C@@H](C)[*:1]
CC(=O)Nc1ccc(-c2ccc([C@@H](C)N3CCOCC3)cc2)cn1 CC(=O)N[*:1] C[C@H](c1ccc(cc1)-c1ccc(nc1)[*:1])N1CCOCC1
CC(=O)Nc1ccc(-c2ccc([C@@H](C)N3CCOCC3)cc2)cn1 C[C@@H](N1CCOCC1)[*:1] CC(=O)Nc1ccc(cn1)-c1ccc(cc1)[*:1]
COC(=O)c1cc(NC(=O)/C(C)=C/c2ccccc2)cc(C(=O)OC)c1 c1ccc(cc1)[*:1] COC(=O)c1cc(cc(c1)C(=O)OC)NC(=O)C(C)=C[*:1]
COC(=O)c1cc(NC(=O)/C(C)=C/c2ccccc2)cc(C(=O)OC)c1 COC(=O)[*:1] COC(=O)c1cc(cc(c1)[*:1])NC(=O)/C(C)=C/c1ccccc1
O=C(NC[C@]1(O)CCSC1)[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@]1(O)CCSC1)[C@H]1C[C@H]1[*:1]
Cn1cc(-c2ccc([C@@H]3CCCN(C(=O)Cn4c(=O)n(C)c5ccccc54)C3)nc2)cn1 Cn1cc(cn1)[*:1] Cn1c(=O)n(CC(=O)N2CCC[C@H](C2)c2ccc(cn2)[*:1])c2ccccc21
C[C@H](Sc1nnnn1C)[C@H](C)C(=O)NN NNC(=O)[*:1] C[C@H](Sc1nnnn1C)[C@H](C)[*:1]
CCCn1c(C)nn(CN2CCN(CC(F)(F)C(F)F)CC2)c1=S FC(F)C(F)(F)C[*:1] CCCn1c(C)nn(CN2CCN(CC2)[*:1])c1=S
CCCn1c(C)nn(CN2CCN(CC(F)(F)C(F)F)CC2)c1=S FC(F)[*:1] CCCn1c(C)nn(CN2CCN(CC2)CC(F)(F)[*:1])c1=S
CCCn1c(C)nn(CN2CCN(CC(F)(F)C(F)F)CC2)c1=S FC(F)C(F)(F)[*:1] CCCn1c(C)nn(CN2CCN(CC2)C[*:1])c1=S
CCCn1c(C)nn(CN2CCN(CC(F)(F)C(F)F)CC2)c1=S CCC[*:1] Cc1nn(CN2CCN(CC2)CC(F)(F)C(F)F)c(=S)n1[*:1]
CC[C@@H](NC(=O)c1ccccc1SC(C)C)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)c1ccccc1SC(C)C)[*:1]
CC[C@@H](NC(=O)c1ccccc1SC(C)C)C(=O)OC CC(C)[*:1] CC[C@@H](NC(=O)c1ccccc1S[*:1])C(=O)OC
CC[C@@H](NC(=O)c1ccccc1SC(C)C)C(=O)OC CC(C)S[*:1] CC[C@@H](NC(=O)c1ccccc1[*:1])C(=O)OC
CCC[NH2+]C1CCC([NH+](C)Cc2nnc(C)n2C)CC1 CCC[*:1] Cc1nnc(C[NH+](C)C2CCC(CC2)[NH2+][*:1])n1C
Cc1cc(C)c2oc(=O)cc(CN(C)Cc3cccnc3Cl)c2c1 Clc1ncccc1C[*:1] Cc1cc(C)c2oc(=O)cc(CN(C)[*:1])c2c1
Cc1cc(C)c2oc(=O)cc(CN(C)Cc3cccnc3Cl)c2c1 Clc1ncccc1[*:1] Cc1cc(C)c2oc(=O)cc(CN(C)C[*:1])c2c1
O=C(CSc1nc2ccccc2o1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(CSc1nc2ccccc2o1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(CN2C[C@H]3CN(Cc4ccncc4)CCN3C2=O)cc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1)CN1C[C@H]2CN(CCN2C1=O)[*:1]
Cc1ccc(CN2C[C@H]3CN(Cc4ccncc4)CCN3C2=O)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)CN1C[C@H]2CN(CCN2C1=O)C[*:1]
Cc1ccc(CN2C[C@H]3CN(Cc4ccncc4)CCN3C2=O)cc1 Cc1ccc(cc1)C[*:1] O=C1N2CCN(Cc3ccncc3)C[C@@H]2CN1[*:1]
Cc1ccc(CN2C[C@H]3CN(Cc4ccncc4)CCN3C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1N(C[C@H]2CN(CCN12)Cc1ccncc1)C[*:1]
COC[C@@H](C)CC(=O)N(C)[C@@H](C)c1ccc(O)cc1 COC[*:1] C[C@@H](c1ccc(O)cc1)N(C)C(=O)C[C@H](C)[*:1]
COC[C@@H](C)CC(=O)N(C)[C@@H](C)c1ccc(O)cc1 COC[C@@H](C)[*:1] C[C@@H](c1ccc(O)cc1)N(C)C(=O)C[*:1]
COC[C@@H](C)CC(=O)N(C)[C@@H](C)c1ccc(O)cc1 COC[C@@H](C)C[*:1] C[C@@H](c1ccc(O)cc1)N(C)C(=O)[*:1]
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)c2ccc(F)c(F)c2)C1=O Fc1ccc(cc1F)[*:1] CC[C@]1(NC(=O)N(C[C@H](O)[*:1])C1=O)c1ccc(F)cc1
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)c2ccc(F)c(F)c2)C1=O Fc1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(C[C@H](O)c2ccc(F)c(F)c2)C1=O)[*:1]
CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1SCC(=O)OC COC(=O)[*:1] CC[NH2+][C@@H]1c2cc(ccc2C[C@@H]1SC[*:1])OC
CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1SCC(=O)OC COC(=O)CS[*:1] CC[NH2+][C@@H]1c2cc(ccc2C[C@H]1[*:1])OC
CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1SCC(=O)OC COC(=O)C[*:1] CC[NH2+][C@@H]1c2cc(ccc2C[C@@H]1S[*:1])OC
C#CCN(CC(=O)NC1CCCC1)CC(=O)NC1CCCC1 C#CC[*:1] O=C(CN(CC(=O)NC1CCCC1)[*:1])NC1CCCC1
C#CCN(CC(=O)NC1CCCC1)CC(=O)NC1CCCC1 C1CCC(C1)[*:1] C#CCN(CC(=O)NC1CCCC1)CC(=O)N[*:1]
CC(=O)c1ccc(N2C(=O)OC[C@@H]2C(C)C)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)N1C(=O)OC[C@H]1[*:1]
CC(=O)c1ccc(N2C(=O)OC[C@@H]2C(C)C)cc1 CC(=O)[*:1] CC(C)[C@H]1COC(=O)N1c1ccc(cc1)[*:1]
Cc1ccccc1[C@@H](CC(=O)Nc1c(C)cccc1C)NC(N)=O NC(=O)N[*:1] Cc1ccccc1[C@@H](CC(=O)Nc1c(C)cccc1C)[*:1]
Cc1ccccc1[C@@H](CC(=O)Nc1c(C)cccc1C)NC(N)=O Cc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)C[C@@H](NC(N)=O)[*:1]
Cc1ccccc1[C@@H](CC(=O)Nc1c(C)cccc1C)NC(N)=O Cc1cccc(C)c1[*:1] Cc1ccccc1[C@@H](CC(=O)N[*:1])NC(N)=O
CN(Cc1nccn1C(F)F)c1ncccc1C#N FC(F)[*:1] CN(Cc1nccn1[*:1])c1ncccc1C#N
NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)CN2CCOCC2)CC1 NC(=O)[*:1] O=C(CN1CCOCC1)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)CN2CCOCC2)CC1 C1CN(CCO1)[*:1] NC(=O)[C@H](c1ccccc1)N1CCN(CC1)C(=O)C[*:1]
NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] NC(=O)[C@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)CN2CCOCC2)CC1 c1ccc(cc1)[*:1] NC(=O)[C@H](N1CCN(CC1)C(=O)CN1CCOCC1)[*:1]
O[C@@H](Cc1cc(Br)cs1)C1([NH+]2CCCC2)CCCC1 Brc1csc(c1)[*:1] O[C@@H](C[*:1])C1(CCCC1)[NH+]1CCCC1
Clc1snnc1CNc1ccc(Br)c2ccccc12 Clc1snnc1[*:1] Brc1ccc(NC[*:1])c2ccccc12
COc1cccc(-c2noc([C@@H](C)NC(=O)C3=CCCCO3)n2)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)C1=CCCCO1)c1nc(no1)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(-c2ccc(C)c(C)c2)o1 CCS(=O)(=O)[*:1] Cc1ccc(cc1C)-c1nnc(NC(=O)c2ccccc2[*:1])o1
CCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(-c2ccc(C)c(C)c2)o1 Cc1ccc(cc1C)[*:1] CCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(o1)[*:1]
C[NH+](CCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCNC(=O)C1C=CC2=NS(=O)(=O)CCN2C=1)[*:1]
Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)[nH]1 c1ccc(cc1)[*:1] Cc1cc(C(=O)Cn2nnc(n2)[*:1])c(C)[nH]1
Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)[nH]1 Cc1cc(c(C)[nH]1)[*:1] O=C(Cn1nnc(n1)-c1ccccc1)[*:1]
COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](C)NC(=O)[C@@H](C)O[*:1]
COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)[C@H](C)NC(=O)[C@@H](C)[*:1]
CC1(C)[C@H]2OCC[C@@H]2[C@@H]1OC(=O)c1scnc1C1CC1 C1CC1[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@@H]1OC(=O)c1scnc1[*:1]
CC[NH+](CC(=O)Nc1c(C)cccc1C)Cc1cnc(N2CCOCC2)nc1 Cc1cccc(C)c1[*:1] CC[NH+](CC(=O)N[*:1])Cc1cnc(nc1)N1CCOCC1
CC[NH+](CC(=O)Nc1c(C)cccc1C)Cc1cnc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] CC[NH+](CC(=O)Nc1c(C)cccc1C)Cc1cnc(nc1)[*:1]
Cc1ccc(/C=C/C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)NC(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 CS(=O)(=O)[*:1] Cc1ccc(/C=C/C(=O)Nc2cc(ccc2Cl)[*:1])cc1
CC1CCC(C(=O)N(CCC#N)CCC(F)(F)F)CC1 FC(F)(F)CC[*:1] CC1CCC(CC1)C(=O)N(CCC#N)[*:1]
CC1CCC(C(=O)N(CCC#N)CCC(F)(F)F)CC1 FC(F)(F)C[*:1] CC1CCC(CC1)C(=O)N(CCC#N)C[*:1]
CC1CCC(C(=O)N(CCC#N)CCC(F)(F)F)CC1 N#CC[*:1] CC1CCC(CC1)C(=O)N(CCC(F)(F)F)C[*:1]
CC1CCC(C(=O)N(CCC#N)CCC(F)(F)F)CC1 FC(F)(F)[*:1] CC1CCC(CC1)C(=O)N(CCC#N)CC[*:1]
CC1CCC(C(=O)N(CCC#N)CCC(F)(F)F)CC1 N#CCC[*:1] CC1CCC(CC1)C(=O)N(CCC(F)(F)F)[*:1]
Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)c1C Clc1ccccc1[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)CNC(=O)[*:1]
Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)c1C Cc1cccc(c1C)[*:1] O=C(NCC(=O)N1CCN(CC1)[*:1])c1ccccc1Cl
COc1ncnc(N2CCCC[C@@H]2CO)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ncnc(c1[*:1])N1CCCC[C@@H]1CO
Cn1cc(CN2CCO[C@@H](c3ccco3)C2)c(-c2ccc3c(c2)OCCCO3)n1 c1coc(c1)[*:1] Cn1cc(CN2CCO[C@@H](C2)[*:1])c(n1)-c1ccc2OCCCOc2c1
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1cccnc1 c1cncc(c1)[*:1] Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N[*:1]
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1cccnc1 CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1/C=C/C(=O)Nc1cccnc1
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1cccnc1 CC(C)C[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)Nc1cccnc1)[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(c1)N[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCNc1cc(C)ccc1C(=O)N[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H]1CCS(=O)(=O)C1 CCCN[*:1] Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(c1)[*:1]
O=C1C(=O)N(Cc2nnc(-c3ccccc3)o2)C(=O)N1CCc1cccs1 c1ccc(cc1)[*:1] O=C1C(=O)N(Cc2nnc(o2)[*:1])C(=O)N1CCc1cccs1
O=C1C(=O)N(Cc2nnc(-c3ccccc3)o2)C(=O)N1CCc1cccs1 c1csc(c1)CC[*:1] O=C1C(=O)N(C(=O)N1Cc1nnc(o1)-c1ccccc1)[*:1]
O=C1C(=O)N(Cc2nnc(-c3ccccc3)o2)C(=O)N1CCc1cccs1 c1csc(c1)C[*:1] O=C1C(=O)N(C[*:1])C(=O)N1Cc1nnc(o1)-c1ccccc1
O=C1C(=O)N(Cc2nnc(-c3ccccc3)o2)C(=O)N1CCc1cccs1 c1csc(c1)[*:1] O=C1C(=O)N(Cc2nnc(o2)-c2ccccc2)C(=O)N1CC[*:1]
CN(C)c1nc(N)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] CN(C)c1nc(N)c(c(n1)N1CCN(CC1)C[*:1])[N+](=O)[O-]
CN(C)c1nc(N)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] CN(C)c1nc(N)c(c(n1)N1CCN(CC1)[*:1])[N+](=O)[O-]
CN(C)c1nc(N)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1 O=[N+]([O-])[*:1] CN(C)c1nc(N)c(c(n1)N1CCN(CC1)Cc1ccccc1)[*:1]
CN(C)c1nc(N)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1 CN(C)[*:1] Nc1nc(nc(c1[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1)[*:1]
COC(=O)[C@H]1CCCCN1CC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)C[*:1] COC(=O)[C@H]1CCCCN1CC1(CCCCC1)[*:1]
COC(=O)[C@H]1CCCCN1CC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] COC(=O)[C@H]1CCCCN1CC1(CCCCC1)C[*:1]
COC(=O)[C@H]1CCCCN1CC1(CN2CCOCC2)CCCCC1 COC(=O)[*:1] C1CCC(CC1)(CN1CCOCC1)CN1CCCC[C@@H]1[*:1]
Cc1nc2c(s1)CCC[C@H]2n1cnc(-c2ccccc2)c1-c1[nH]cnc1C Cc1nc[nH]c1[*:1] Cc1nc2c(CCC[C@H]2n2cnc(-c3ccccc3)c2[*:1])s1
Cc1nc2c(s1)CCC[C@H]2n1cnc(-c2ccccc2)c1-c1[nH]cnc1C c1ccc(cc1)[*:1] Cc1nc2c(CCC[C@H]2n2cnc(c2-c2[nH]cnc2C)[*:1])s1
Cc1ccc(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H]1CC(Cl)=CC[C@@H]1C(=O)[O-]
Cc1ccc(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)[C@H]1CC(Cl)=CC[C@H]1[*:1]
COC[C@H](C)n1c(C)cc(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1C COC[*:1] Cc1cc(C(=O)Cn2cc(cc(Cl)c2=O)C(F)(F)F)c(C)n1[C@@H](C)[*:1]
COC[C@H](C)n1c(C)cc(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1C COC[C@H](C)[*:1] Cc1cc(C(=O)Cn2cc(cc(Cl)c2=O)C(F)(F)F)c(C)n1[*:1]
COC[C@H](C)n1c(C)cc(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1C FC(F)(F)[*:1] COC[C@H](C)n1c(C)cc(C(=O)Cn2cc(cc(Cl)c2=O)[*:1])c1C
Cc1ccc(Cn2nnc3c([O-])nc(C(=O)NC[C@@H]4CCCO4)nc32)cc1 Cc1ccc(cc1)C[*:1] O=C(NC[C@@H]1CCCO1)c1nc([O-])c2nnn(c2n1)[*:1]
Cc1ccc(Cn2nnc3c([O-])nc(C(=O)NC[C@@H]4CCCO4)nc32)cc1 O=C(NC[C@@H]1CCCO1)[*:1] Cc1ccc(cc1)Cn1nnc2c([O-])nc(nc21)[*:1]
Cc1ccc(Cn2nnc3c([O-])nc(C(=O)NC[C@@H]4CCCO4)nc32)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)c1nc([O-])c2nnn(C[*:1])c2n1
Cc1ccc(Cn2nnc3c([O-])nc(C(=O)NC[C@@H]4CCCO4)nc32)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)Cn1nnc2c([O-])nc(nc21)C(=O)N[*:1]
Cc1ccc(Cn2nnc3c([O-])nc(C(=O)NC[C@@H]4CCCO4)nc32)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)Cn1nnc2c([O-])nc(nc21)C(=O)NC[*:1]
CCn1ccnc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C CC(=O)[*:1] CCn1ccnc1SCC(=O)c1[nH]c(C)c(c1C)[*:1]
CCn1ccnc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C CCn1ccnc1[*:1] CC(=O)c1c(C)[nH]c(C(=O)CS[*:1])c1C
C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc(-n3cccn3)n2)C1 c1cnn(c1)[*:1] C[C@@]1(CCCN(C1)C(=O)c1cccc(n1)[*:1])c1ccccc1
C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc(-n3cccn3)n2)C1 c1ccc(cc1)[*:1] C[C@@]1(CCCN(C1)C(=O)c1cccc(n1)-n1cccn1)[*:1]
COc1ccc(Cl)cc1N1C(=O)CS[C@@H]1c1ccccc1F Fc1ccccc1[*:1] COc1ccc(Cl)cc1N1C(=O)CS[C@H]1[*:1]
CCc1noc(C)c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 CCc1noc(C)c1[*:1] O=C(Nc1cccc(c1)C[NH+]1CCSCC1)[*:1]
O=C(c1ccc(-c2nnco2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(c1ccc(cc1)-c1nnco1)N1CCC[C@@H]1[*:1]
O=C(c1ccc(-c2nnco2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 c1nnc(o1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H]1c1nc2ccccc2s1
Cc1nc(C)c(-c2ccc(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)nn2)s1 Cc1nc(C)c(s1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1ccc(nn1)[*:1]
O=C(CCN1CCCC1=O)Nc1ccc(F)cc1OCC(F)(F)F FC(F)(F)C[*:1] O=C(CCN1CCCC1=O)Nc1ccc(F)cc1O[*:1]
O=C(CCN1CCCC1=O)Nc1ccc(F)cc1OCC(F)(F)F O=C1CCCN1C[*:1] O=C(C[*:1])Nc1ccc(F)cc1OCC(F)(F)F
O=C(CCN1CCCC1=O)Nc1ccc(F)cc1OCC(F)(F)F FC(F)(F)CO[*:1] O=C(CCN1CCCC1=O)Nc1ccc(F)cc1[*:1]
O=C(CCN1CCCC1=O)Nc1ccc(F)cc1OCC(F)(F)F O=C1CCCN1CC[*:1] O=C(Nc1ccc(F)cc1OCC(F)(F)F)[*:1]
O=C(CCN1CCCC1=O)Nc1ccc(F)cc1OCC(F)(F)F O=C1CCCN1[*:1] O=C(CC[*:1])Nc1ccc(F)cc1OCC(F)(F)F
O=C(CCN1CCCC1=O)Nc1ccc(F)cc1OCC(F)(F)F FC(F)(F)[*:1] O=C(CCN1CCCC1=O)Nc1ccc(F)cc1OC[*:1]
CCOc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)NS(=O)(=O)c1ccc(Br)cc1)[*:1]
CCOc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1)O[C@@H](C)C2 Brc1ccc(cc1)[*:1] CCOc1cc2C[C@H](C)Oc2cc1NS(=O)(=O)[*:1]
O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)C1=NO[C@H](c2ccccc2)C1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@@H](CO)C[*:1])C1C[C@H](ON=1)c1ccccc1
O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)C1=NO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)C1C[C@@H](ON=1)[*:1]
COc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CCCC[C@H]1C COc1ccccc1[*:1] C[C@@H]1CCCCN1C(=O)CCNc1c(nc2cnccn12)[*:1]
Cc1nc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)ncc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)N[*:1])[C@H]1CCCN(C1)C(=O)c1cc[nH]n1
Cc1nc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)ncc1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] Cc1nc(ncc1[*:1])[C@H]1CCCN(C1)C(=O)c1cc[nH]n1
CC(=O)c1c(C)cc(C)c(CS(=O)(=O)[C@H](C)C(=O)NCC(C)C)c1C CC(C)CNC(=O)[*:1] CC(=O)c1c(C)cc(C)c(CS(=O)(=O)[C@H](C)[*:1])c1C
CC(=O)c1c(C)cc(C)c(CS(=O)(=O)[C@H](C)C(=O)NCC(C)C)c1C CC(C)[*:1] CC(=O)c1c(C)cc(C)c(CS(=O)(=O)[C@H](C)C(=O)NC[*:1])c1C
CC(=O)c1c(C)cc(C)c(CS(=O)(=O)[C@H](C)C(=O)NCC(C)C)c1C CC(=O)[*:1] Cc1cc(C)c(c(C)c1CS(=O)(=O)[C@H](C)C(=O)NCC(C)C)[*:1]
CC(=O)c1c(C)cc(C)c(CS(=O)(=O)[C@H](C)C(=O)NCC(C)C)c1C CC(C)C[*:1] CC(=O)c1c(C)cc(C)c(CS(=O)(=O)[C@H](C)C(=O)N[*:1])c1C
O=c1cc(C[C@@H]2NN=C(SC/C=C/c3ccccc3)N2c2ccc(F)cc2)[nH]c(=O)[nH]1 C(=C[*:1])c1ccccc1 O=c1cc(C[C@@H]2NN=C(SC[*:1])N2c2ccc(F)cc2)[nH]c(=O)[nH]1
O=c1cc(C[C@@H]2NN=C(SC/C=C/c3ccccc3)N2c2ccc(F)cc2)[nH]c(=O)[nH]1 O=c1cc([nH]c(=O)[nH]1)[*:1] Fc1ccc(cc1)N1C(=NN[C@H]1C[*:1])SC/C=C/c1ccccc1
O=c1cc(C[C@@H]2NN=C(SC/C=C/c3ccccc3)N2c2ccc(F)cc2)[nH]c(=O)[nH]1 Fc1ccc(cc1)[*:1] O=c1cc(C[C@@H]2NN=C(SC/C=C/c3ccccc3)N2[*:1])[nH]c(=O)[nH]1
O=c1cc(C[C@@H]2NN=C(SC/C=C/c3ccccc3)N2c2ccc(F)cc2)[nH]c(=O)[nH]1 c1ccc(cc1)[*:1] O=c1cc(C[C@@H]2NN=C(SCC=C[*:1])N2c2ccc(F)cc2)[nH]c(=O)[nH]1
O=c1cc(C[C@@H]2NN=C(SC/C=C/c3ccccc3)N2c2ccc(F)cc2)[nH]c(=O)[nH]1 C(=C/c1ccccc1)\C[*:1] O=c1cc(C[C@@H]2NN=C(S[*:1])N2c2ccc(F)cc2)[nH]c(=O)[nH]1
CS[C@H]1CC[C@@H](NC(=O)c2ccc(-n3cncn3)c(F)c2)C1 c1ncn(n1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1ccc(c(F)c1)[*:1]
C[C@@H](NC(=O)NCC1CCC1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](NC(=O)NCC1CCC1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)NCC1CCC1)c1cccc(N2CCCC2)c1 C1CC(C1)C[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(c1)N1CCCC1
C[C@@H](NC(=O)NCC1CCC1)c1cccc(N2CCCC2)c1 C1CC(C1)[*:1] C[C@@H](NC(=O)NC[*:1])c1cccc(c1)N1CCCC1
CCN1CC(=O)Nc2cc(C(=O)N3CCC[C@H]3c3cccc(F)c3)ccc21 Fc1cccc(c1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N1CCC[C@@H]1[*:1]
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2)cc1 CCN(CC)S(=O)(=O)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(cc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)[*:1]
CC(=O)Nc1ccc(S[C@H](C(=O)Nc2cccc(C)c2)C(C)C)cc1 Cc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)S[C@H](C(=O)N[*:1])C(C)C
CC(=O)Nc1ccc(S[C@H](C(=O)Nc2cccc(C)c2)C(C)C)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)S[C@H](C(=O)Nc1cccc(C)c1)[*:1]
CC(=O)Nc1ccc(S[C@H](C(=O)Nc2cccc(C)c2)C(C)C)cc1 CC(=O)N[*:1] Cc1cccc(c1)NC(=O)[C@@H](Sc1ccc(cc1)[*:1])C(C)C
C=CCOc1ccc(OC(=O)c2ccoc2)cc1 c1cc(co1)[*:1] C=CCOc1ccc(cc1)OC(=O)[*:1]
C=CCOc1ccc(OC(=O)c2ccoc2)cc1 C=CCO[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccoc1
C=CCOc1ccc(OC(=O)c2ccoc2)cc1 C=CC[*:1] O=C(Oc1ccc(cc1)O[*:1])c1ccoc1
CCc1noc(CC)c1CNC(=O)NCCC(F)(F)F FC(F)(F)CC[*:1] CCc1noc(CC)c1CNC(=O)N[*:1]
CCc1noc(CC)c1CNC(=O)NCCC(F)(F)F FC(F)(F)C[*:1] CCc1noc(CC)c1CNC(=O)NC[*:1]
CCc1noc(CC)c1CNC(=O)NCCC(F)(F)F FC(F)(F)[*:1] CCc1noc(CC)c1CNC(=O)NCC[*:1]
CCCc1cc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3CCC)n(C)n1 CCCc1cc(n(C)n1)[*:1] CCCn1c(=O)[nH]c(=O)c2cc(cnc21)C(=O)N[*:1]
CCCc1cc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3CCC)n(C)n1 CCC[*:1] CCCc1cc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3[*:1])n(C)n1
CCCc1cc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3CCC)n(C)n1 CCC[*:1] CCCn1c(=O)[nH]c(=O)c2cc(cnc21)C(=O)Nc1cc(nn1C)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H]1CCCO1 O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)N[C@H](C)[C@H]1CCCO1)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1S(=O)(=O)N[C@H](C)[*:1])[N+](=O)[O-]
O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[*:1]
O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1C(=O)[*:1])c1cccs1
COc1ccc2cc(C)c3nnc(SCC(=O)Nc4sc(C)c(C)c4C#N)n3c2c1 Cc1sc(c(C#N)c1C)[*:1] COc1ccc2cc(C)c3nnc(SCC(=O)N[*:1])n3c2c1
CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] CSC[*:1] O=C([O-])[C@@H](C[*:1])NC1=NS(=O)(=O)c2ccccc21
CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] CSCC[*:1] O=C([O-])[C@H](NC1=NS(=O)(=O)c2ccccc21)[*:1]
CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] O=C([O-])[*:1] CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)[*:1]
CCC[NH2+][C@@H](c1cscc1C)c1cc(Br)ccc1OC CCC[*:1] COc1ccc(Br)cc1[C@@H]([NH2+][*:1])c1cscc1C
CCC[NH2+][C@@H](c1cscc1C)c1cc(Br)ccc1OC Cc1cscc1[*:1] CCC[NH2+][C@@H](c1cc(Br)ccc1OC)[*:1]
CCC(=O)c1ccc(OCc2cn3cc(Cl)ccc3n2)cc1 CCC(=O)[*:1] Clc1ccc2nc(cn2c1)COc1ccc(cc1)[*:1]
Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12 Clc1ccc(cc1)[*:1] Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1oc(cn12)[*:1]
Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12 Fc1ccc(cc1)[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc1oc(cn12)-c1ccc(Cl)cc1
Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12 Fc1ccc(cc1)C[*:1] Cn1c(=O)n(c(=O)c2c1nc1oc(cn12)-c1ccc(Cl)cc1)[*:1]
[NH3+][C@]1(C(=O)[O-])CCC[C@H]1CCSc1ncnc2nc[nH]c12 O=C([O-])[*:1] [NH3+][C@@]1(CCC[C@H]1CCSc1ncnc2nc[nH]c12)[*:1]
Cc1nc(COc2ccc(C[NH2+]C(C)C)nc2)no1 CC(C)[*:1] Cc1nc(COc2ccc(C[NH2+][*:1])nc2)no1
Cc1nc(COc2ccc(C[NH2+]C(C)C)nc2)no1 Cc1nc(no1)[*:1] CC(C)[NH2+]Cc1ccc(cn1)OC[*:1]
COc1ccc(-c2cc3ncn(CC(=O)N[C@@H](C)c4ccccc4OC)c(=O)c3s2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1[C@H](C)NC(=O)Cn1cnc2cc(sc2c1=O)[*:1]
COc1ccc(-c2cc3ncn(CC(=O)N[C@@H](C)c4ccccc4OC)c(=O)c3s2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-c1cc2ncn(CC(=O)N[C@@H](C)[*:1])c(=O)c2s1
CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCC(CC)(CC)C1 Brc1cccc(c1)[*:1] CC[C@@H]([NH3+])[C@H](N1CCC(CC)(CC)C1)[*:1]
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(cc1)[*:1]
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=C[*:1]
COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C(C)C)no2)c1 CC(C)[*:1] COc1ccc(OC)c(c1)[C@@H](C)NC(=O)c1cc(no1)[*:1]
CC(C)N(C)CC[NH2+]Cc1ccccc1N1C[C@H](C)O[C@@H](C)C1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1C[NH2+]CCN(C)[*:1]
CC(C)N(C)CC[NH2+]Cc1ccccc1N1C[C@H](C)O[C@@H](C)C1 CC(C)N(C)CC[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1C[NH2+][*:1]
CC(C)N(C)CC[NH2+]Cc1ccccc1N1C[C@H](C)O[C@@H](C)C1 CC(C)N(C)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1C[NH2+]CC[*:1]
CC(C)N(C)CC[NH2+]Cc1ccccc1N1C[C@H](C)O[C@@H](C)C1 CC(C)N(C)C[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1C[NH2+]C[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccc(=O)[nH]c1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc(=O)[nH]c1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccc(=O)[nH]c1)c1ccccc1 O=c1ccc(c[nH]1)[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])c1ccccc1
CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)N[*:1]
CCOC[C@H]1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 CCOC[*:1] O=C(CCc1nc(no1)-c1ccc(Cl)cc1)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 Clc1ccc(cc1)[*:1] CCOC[C@H]1CCN(C1)C(=O)CCc1nc(no1)[*:1]
CCOC[C@H]1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 CCO[*:1] O=C(CCc1nc(no1)-c1ccc(Cl)cc1)N1CC[C@@H](C1)C[*:1]
COc1ccccc1CNC(=O)Nc1cc(C(C)(C)C)on1 CC(C)(C)[*:1] COc1ccccc1CNC(=O)Nc1cc(on1)[*:1]
COc1ccc([C@H]2NC[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@H]1NC[C@@H](O1)c1ccc(cc1)[*:1]
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 COc1ccc(C)cc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1cccc(Cl)c1
Cc1csc(C(C)(C)NC(=O)N[C@@H](C)c2nc(C3CCCC3)no2)n1 C1CCC(C1)[*:1] Cc1csc(n1)C(C)(C)NC(=O)N[C@@H](C)c1nc(no1)[*:1]
Cc1csc(C(C)(C)NC(=O)N[C@@H](C)c2nc(C3CCCC3)no2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)NC(C)(C)[*:1])c1nc(no1)C1CCCC1
Cc1nn(C(=O)OC(C)(C)C)c(C)c1Br CC(C)(C)[*:1] Cc1nn(C(=O)O[*:1])c(C)c1Br
Cc1cccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 Clc1ccc(s1)[*:1] Cc1cccc(/C=C/C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c1
Cc1cccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 Cc1cccc(c1)[*:1] O=C(C=C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
COc1ccc(-c2cn3nc(N4[C@H](C)COC[C@H]4C)sc3n2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1COC[C@@H](C)N1c1nn2cc(nc2s1)[*:1]
C[C@H](CNC(=O)c1ccnc(Cl)c1)N1CCc2ccccc21 Clc1cc(ccn1)[*:1] C[C@H](CNC(=O)[*:1])N1CCc2ccccc21
CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccc(Cl)cc1Cl
CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 CC(C)NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1Cl
O=C(NCc1ccccc1)c1cn(C2CC2)cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1=O c1ccc(cc1)[*:1] O=C(NC[*:1])c1cn(cc(C(=O)N2CCC[C@@H](C2)c2nc3ccccc3[nH]2)c1=O)C1CC1
O=C(NCc1ccccc1)c1cn(C2CC2)cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1=O c1ccc(cc1)C[*:1] O=C(N[*:1])c1cn(cc(C(=O)N2CCC[C@@H](C2)c2nc3ccccc3[nH]2)c1=O)C1CC1
O=C(NCc1ccccc1)c1cn(C2CC2)cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1=O O=C(NCc1ccccc1)[*:1] O=C(c1cn(cc(c1=O)[*:1])C1CC1)N1CCC[C@@H](C1)c1nc2ccccc2[nH]1
O=C(NCc1ccccc1)c1cn(C2CC2)cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1=O C1CC1[*:1] O=C(NCc1ccccc1)c1cn(cc(C(=O)N2CCC[C@@H](C2)c2nc3ccccc3[nH]2)c1=O)[*:1]
O=C(NCc1ccccc1)c1cn(C2CC2)cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1=O c1ccc2[nH]c(nc2c1)[*:1] O=C(NCc1ccccc1)c1cn(cc(C(=O)N2CCC[C@H](C2)[*:1])c1=O)C1CC1
C[C@@H](C(=O)[O-])N1C(=O)CC2(CCCC2)C1=O O=C([O-])[*:1] C[C@@H](N1C(=O)CC2(CCCC2)C1=O)[*:1]
COc1ccc(C2=NN(CN3C(=O)C(=O)c4ccccc43)[C@@H](c3ccco3)C2)cc1 COc1ccc(cc1)[*:1] O=C1C(=O)N(CN2N=C(C[C@@H]2c2ccco2)[*:1])c2ccccc21
COc1ccc(C2=NN(CN3C(=O)C(=O)c4ccccc43)[C@@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C1C[C@H](N(CN2C(=O)C(=O)c3ccccc32)N=1)[*:1]
CC[C@@H](C)NC(=O)c1cc(F)cc(Br)c1 CC[C@@H](C)[*:1] O=C(N[*:1])c1cc(F)cc(Br)c1
CCOC(=O)[C@@H](C)Nc1cccc(F)c1C(N)=S CCOC(=O)[*:1] C[C@@H](Nc1cccc(F)c1C(N)=S)[*:1]
CCOC(=O)[C@@H](C)Nc1cccc(F)c1C(N)=S NC(=S)[*:1] CCOC(=O)[C@@H](C)Nc1cccc(F)c1[*:1]
NC(=O)c1n[nH]c2ccc(NC(=O)c3coc(-c4ccccc4)n3)cc12 NC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])c1coc(n1)-c1ccccc1
NC(=O)c1n[nH]c2ccc(NC(=O)c3coc(-c4ccccc4)n3)cc12 c1ccc(cc1)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)c1coc(n1)[*:1]
CC[C@H]([NH2+]Cc1nncn1C1CC1)c1ccc2c(c1)CCO2 C1CC1[*:1] CC[C@H]([NH2+]Cc1nncn1[*:1])c1ccc2OCCc2c1
COc1cccc(Nc2nc(NN)c3c(c2C#N)CC(C)(C)OC3)c1 COc1cccc(c1)[*:1] CC1(C)Cc2c(C#N)c(nc(NN)c2CO1)N[*:1]
CCN(CC)S(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)N1CCN(CC1)[C@@H](C(N)=O)[*:1]
CCN(CC)S(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 NC(=O)[*:1] CCN(CC)S(=O)(=O)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
Cc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)o1 Cc1ccc(o1)[*:1] C1C[C@H](CN(C1)C[*:1])[NH+]1CCCC1
COC(=O)CN(C(=O)c1ccc(C(F)(F)F)cc1)C(C)C COC(=O)C[*:1] CC(C)N(C(=O)c1ccc(cc1)C(F)(F)F)[*:1]
COC(=O)CN(C(=O)c1ccc(C(F)(F)F)cc1)C(C)C FC(F)(F)[*:1] COC(=O)CN(C(=O)c1ccc(cc1)[*:1])C(C)C
COC(=O)CN(C(=O)c1ccc(C(F)(F)F)cc1)C(C)C COC(=O)[*:1] CC(C)N(C[*:1])C(=O)c1ccc(cc1)C(F)(F)F
COC(=O)CN(C(=O)c1ccc(C(F)(F)F)cc1)C(C)C CC(C)[*:1] COC(=O)CN(C(=O)c1ccc(cc1)C(F)(F)F)[*:1]
COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccc(C)s3)C1)CC2 Cc1ccc(s1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)[nH]n2)cc1 COc1ccc(cc1OC)[*:1] COc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)[nH]n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(n[nH]1)[*:1]
O=C(Cc1cccs1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 c1ccc(cc1)C[*:1] O=C(Cc1cccs1)N(C[C@@H](O)c1cccs1)[*:1]
O=C(Cc1cccs1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 c1csc(c1)C[*:1] O=C(N(Cc1ccccc1)C[C@@H](O)c1cccs1)[*:1]
O=C(Cc1cccs1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 c1csc(c1)[*:1] O=C(C[*:1])N(Cc1ccccc1)C[C@@H](O)c1cccs1
O=C(Cc1cccs1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 c1csc(c1)[*:1] O=C(Cc1cccs1)N(Cc1ccccc1)C[C@@H](O)[*:1]
O=C(Cc1cccs1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 c1ccc(cc1)[*:1] O=C(Cc1cccs1)N(C[C@@H](O)c1cccs1)C[*:1]
Cc1ccccc1-n1ncc(C(=O)NNC(=O)CC(C)C)c1C1CC1 CC(C)[*:1] Cc1ccccc1-n1ncc(C(=O)NNC(=O)C[*:1])c1C1CC1
Cc1ccccc1-n1ncc(C(=O)NNC(=O)CC(C)C)c1C1CC1 C1CC1[*:1] Cc1ccccc1-n1ncc(C(=O)NNC(=O)CC(C)C)c1[*:1]
Cc1ccccc1-n1ncc(C(=O)NNC(=O)CC(C)C)c1C1CC1 CC(C)C[*:1] Cc1ccccc1-n1ncc(C(=O)NNC(=O)[*:1])c1C1CC1
Cc1ccccc1-n1ncc(C(=O)NNC(=O)CC(C)C)c1C1CC1 Cc1ccccc1[*:1] CC(C)CC(=O)NNC(=O)c1cnn(c1C1CC1)[*:1]
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H]2CCCC[C@H]2C)c1C COC[*:1] Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H]2CCCC[C@H]2C)c(C)n1C[*:1]
COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H]2CCCC[C@H]2C)c1C COCC[*:1] Cc1cc(/C=C(/C#N)C(=O)N(C)[C@H]2CCCC[C@H]2C)c(C)n1[*:1]
CC(C)CCN(C(=O)c1ccc(I)cc1)C1CC1 C1CC1[*:1] CC(C)CCN(C(=O)c1ccc(I)cc1)[*:1]
CC(C)CCN(C(=O)c1ccc(I)cc1)C1CC1 CC(C)C[*:1] O=C(c1ccc(I)cc1)N(C[*:1])C1CC1
CC(C)CCN(C(=O)c1ccc(I)cc1)C1CC1 CC(C)[*:1] O=C(c1ccc(I)cc1)N(CC[*:1])C1CC1
CC(C)CCN(C(=O)c1ccc(I)cc1)C1CC1 CC(C)CC[*:1] O=C(c1ccc(I)cc1)N(C1CC1)[*:1]
CCCCCN1C(=O)NC(=O)[C@@]2(Cc3c([nH+]c4c(C)cccn4c3=O)N3CCCCC[C@@H]32)C1=O CCCCC[*:1] Cc1cccn2c(=O)c3C[C@@]4(C(=O)NC(=O)N(C4=O)[*:1])[C@H]4CCCCCN4c3[nH+]c12
CCCCCN1C(=O)NC(=O)[C@@]2(Cc3c([nH+]c4c(C)cccn4c3=O)N3CCCCC[C@@H]32)C1=O CCC[*:1] Cc1cccn2c(=O)c3C[C@@]4(C(=O)NC(=O)N(CC[*:1])C4=O)[C@H]4CCCCCN4c3[nH+]c12
CCCCCN1C(=O)NC(=O)[C@@]2(Cc3c([nH+]c4c(C)cccn4c3=O)N3CCCCC[C@@H]32)C1=O CCCC[*:1] Cc1cccn2c(=O)c3C[C@@]4(C(=O)NC(=O)N(C[*:1])C4=O)[C@H]4CCCCCN4c3[nH+]c12
C=C(C)C(=O)C(C)(C)[NH+]1CCCC1 C=C(C)[*:1] CC(C)(C(=O)[*:1])[NH+]1CCCC1
CNc1nc([C@@H]2CN(C(C)C)CCO2)nc(C2CC2)c1Br C1CC1[*:1] CNc1nc(nc(c1Br)[*:1])[C@@H]1CN(CCO1)C(C)C
CNc1nc([C@@H]2CN(C(C)C)CCO2)nc(C2CC2)c1Br CC(C)[*:1] CNc1nc(nc(c1Br)C1CC1)[C@@H]1CN(CCO1)[*:1]
O=C(Cn1c(=O)oc2ccccc21)Oc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1c(=O)oc2ccccc21)O[*:1]
CN(CCc1cccs1)[C@](C)(C[NH3+])C1CC1 C1CC1[*:1] CN(CCc1cccs1)[C@](C)(C[NH3+])[*:1]
CN(CCc1cccs1)[C@](C)(C[NH3+])C1CC1 c1csc(c1)[*:1] CN(CC[*:1])[C@](C)(C[NH3+])C1CC1
CC(C)C[NH+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 c1ncn(n1)[*:1] CC(C)C[NH+](CC(=O)Nc1cc(Cl)ccc1[*:1])C1CC1
CC(C)C[NH+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 C1CC1[*:1] CC(C)C[NH+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)[*:1]
CC(C)C[NH+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 CC(C)[*:1] O=C(C[NH+](C[*:1])C1CC1)Nc1cc(Cl)ccc1-n1cncn1
CC(C)C[NH+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 CC(C)C[*:1] O=C(C[NH+](C1CC1)[*:1])Nc1cc(Cl)ccc1-n1cncn1
CCc1nc2cc(NC(=O)C(=O)NCc3nc(C)c(C)s3)ccc2o1 Cc1nc(C[*:1])sc1C CCc1nc2cc(ccc2o1)NC(=O)C(=O)N[*:1]
CCc1nc2cc(NC(=O)C(=O)NCc3nc(C)c(C)s3)ccc2o1 Cc1nc(sc1C)[*:1] CCc1nc2cc(ccc2o1)NC(=O)C(=O)NC[*:1]
Cc1ccccc1-n1nc(C(=O)N[C@H]2CCCc3ccccc32)nc1C Cc1ccccc1[*:1] Cc1nc(nn1[*:1])C(=O)N[C@H]1CCCc2ccccc21
[NH3+]CC/C=C/c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] [NH3+]CC/C=C/c1cccc(c1)[*:1]
[NH3+]CC/C=C/c1cccc(OC(F)(F)F)c1 [NH3+]CCC=C[*:1] FC(F)(F)Oc1cccc(c1)[*:1]
[NH3+]CC/C=C/c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] [NH3+]CC/C=C/c1cccc(c1)O[*:1]
CCC(=O)N1CC[C@@H]([NH2+][C@H](c2ccccc2C)C2CC2)C1 Cc1ccccc1[*:1] CCC(=O)N1CC[C@H](C1)[NH2+][C@H](C1CC1)[*:1]
CCC(=O)N1CC[C@@H]([NH2+][C@H](c2ccccc2C)C2CC2)C1 C1CC1[*:1] CCC(=O)N1CC[C@H](C1)[NH2+][C@H](c1ccccc1C)[*:1]
CCC1CCC(NC(=O)CNCC(F)(F)F)(C(=O)[O-])CC1 O=C([O-])[*:1] CCC1CCC(CC1)(NC(=O)CNCC(F)(F)F)[*:1]
CCC1CCC(NC(=O)CNCC(F)(F)F)(C(=O)[O-])CC1 FC(F)(F)CNC[*:1] CCC1CCC(CC1)(NC(=O)[*:1])C(=O)[O-]
CCC1CCC(NC(=O)CNCC(F)(F)F)(C(=O)[O-])CC1 FC(F)(F)C[*:1] CCC1CCC(CC1)(NC(=O)CN[*:1])C(=O)[O-]
CCC1CCC(NC(=O)CNCC(F)(F)F)(C(=O)[O-])CC1 FC(F)(F)[*:1] CCC1CCC(CC1)(NC(=O)CNC[*:1])C(=O)[O-]
CCC1CCC(NC(=O)CNCC(F)(F)F)(C(=O)[O-])CC1 FC(F)(F)CN[*:1] CCC1CCC(CC1)(NC(=O)C[*:1])C(=O)[O-]
CCc1ccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 CCc1ccc(cc1)[*:1] Cc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@H]1[*:1]
CCc1ccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 Cc1nnc(s1)[*:1] CCc1ccc(cc1)[C@@H]1C(C(=O)c2ccncc2)=C([O-])C(=O)N1[*:1]
CCc1ccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 O=C(c1ccncc1)[*:1] CCc1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1c1nnc(C)s1)[*:1]
CCc1ccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 c1cc(ccn1)[*:1] CCc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nnc(C)s1
COC(=O)c1cncc(C(=O)N[C@H](C)CCc2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] COC(=O)c1cncc(c1)C(=O)N[C@H](C)CC[*:1]
COC(=O)c1cncc(C(=O)N[C@H](C)CCc2ccc(F)c(F)c2)c1 COC(=O)[*:1] C[C@H](CCc1ccc(F)c(F)c1)NC(=O)c1cncc(c1)[*:1]
COc1ccc(CNC(=O)c2c(C)noc2-c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)c1c(C)noc1[*:1]
COc1ccc(CNC(=O)c2c(C)noc2-c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1onc(C)c1C(=O)NC[*:1]
Cc1ccc([C@H](C)NC(=O)c2n[nH]c(C(C)C)n2)c(C)c1 CC(C)[*:1] Cc1ccc(c(C)c1)[C@H](C)NC(=O)c1n[nH]c(n1)[*:1]
O=C(N[C@@H](CO)c1ccccc1F)c1ccc(-n2ccnc2)cc1 Fc1ccccc1[*:1] O=C(N[C@@H](CO)[*:1])c1ccc(cc1)-n1ccnc1
O=C(N[C@@H](CO)c1ccccc1F)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] O=C(N[C@@H](CO)c1ccccc1F)c1ccc(cc1)[*:1]
CC(C)C[C@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1 CC(C)C[*:1] C[C@@H]([NH2+]C[C@](C)(O)[*:1])c1cc(F)cc(F)c1
CC(C)C[C@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1 CC(C)[*:1] C[C@@H]([NH2+]C[C@@](C)(O)C[*:1])c1cc(F)cc(F)c1
CNC(=O)c1nn(CC(=O)N(C)[C@@H](C)CC(C)C)c(=O)c2ccccc12 CC(C)C[*:1] CNC(=O)c1nn(CC(=O)N(C)[C@@H](C)[*:1])c(=O)c2ccccc12
CNC(=O)c1nn(CC(=O)N(C)[C@@H](C)CC(C)C)c(=O)c2ccccc12 CNC(=O)[*:1] CC(C)C[C@H](C)N(C)C(=O)Cn1nc(c2ccccc2c1=O)[*:1]
CNC(=O)c1nn(CC(=O)N(C)[C@@H](C)CC(C)C)c(=O)c2ccccc12 CC(C)[*:1] CNC(=O)c1nn(CC(=O)N(C)[C@@H](C)C[*:1])c(=O)c2ccccc12
CC(C)N(Cc1[nH+]ccn1C)C[C@@H]1CC=CCC1 CC(C)[*:1] Cn1cc[nH+]c1CN(C[C@@H]1CC=CCC1)[*:1]
O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Br)cc1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1)-c1ccc(nn1)[*:1])c1ccc(Br)cc1
O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1ccc(nn1)N1CCOCC1)[*:1]
Nc1ccc([C@H](O)[C@H](CO)NC(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] Nc1ccc(cc1)[C@H](O)[C@H](CO)NC(=O)[*:1]
Nc1ccc([C@H](O)[C@H](CO)NC(=O)c2ccccc2F)cc1 Nc1ccc(cc1)[*:1] O=C(N[C@@H](CO)[C@@H](O)[*:1])c1ccccc1F
Cc1c(F)cccc1NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C CC(C)(C)[*:1] Cc1c(F)cccc1NC(=O)[C@@H]1CSCN1C(=O)[*:1]
CC(C)C(=O)NCCC[NH2+][C@@H]1CCc2c(F)cc(Br)cc21 CC(C)C(=O)NC[*:1] Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CC[*:1]
CC(C)C(=O)NCCC[NH2+][C@@H]1CCc2c(F)cc(Br)cc21 CC(C)C(=O)N[*:1] Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CCC[*:1]
CC(C)C(=O)NCCC[NH2+][C@@H]1CCc2c(F)cc(Br)cc21 CC(C)[*:1] O=C(NCCC[NH2+][C@@H]1CCc2c(F)cc(Br)cc21)[*:1]
C=CCSc1nnc(NC(=O)Cc2coc3ccc(CC)cc23)s1 C=CCS[*:1] CCc1ccc2occ(CC(=O)Nc3nnc(s3)[*:1])c2c1
C=CCSc1nnc(NC(=O)Cc2coc3ccc(CC)cc23)s1 C=CC[*:1] CCc1ccc2occ(CC(=O)Nc3nnc(S[*:1])s3)c2c1
O=C(NCc1ccc(-c2ccn[nH]2)cc1)c1cccnc1-n1cncn1 c1ncn(n1)[*:1] O=C(NCc1ccc(cc1)-c1ccn[nH]1)c1cccnc1[*:1]
O=C(NCc1ccc(-c2ccn[nH]2)cc1)c1cccnc1-n1cncn1 c1cc([nH]n1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cccnc1-n1cncn1
O=C(/C=C/c1cnn(-c2ccccc2)c1)NCCc1ccc2c(c1)CCO2 c1cc2OCCc2cc1[*:1] O=C(/C=C/c1cnn(c1)-c1ccccc1)NCC[*:1]
O=C(/C=C/c1cnn(-c2ccccc2)c1)NCCc1ccc2c(c1)CCO2 c1ccc(cc1)[*:1] O=C(/C=C/c1cnn(c1)[*:1])NCCc1ccc2OCCc2c1
COc1ccc(N2C[C@H](c3nnc(S)o3)CC2=O)cc1 Sc1nnc(o1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)[*:1]
CCc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@@H]1NC(=O)N[C@@](O)([C@@H]1C(=O)[*:1])C(F)(F)F
CCc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(C)cc2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)[C@@H]1[C@@H](NC(=O)N[C@]1(O)C(F)(F)F)[*:1]
CCc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(C)cc2)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)[C@@H]1NC(=O)N[C@](O)([C@@H]1C(=O)c1ccc(C)cc1)[*:1]
CCc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)C(=O)[*:1] CCc1ccc(cc1)[C@@H]1NC(=O)N[C@@](O)([C@H]1[*:1])C(F)(F)F
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2nccnc2c1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccc2nccnc2c1
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2nccnc2c1 FC(F)(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2nccnc2c1
Cc1c(-c2ccccc2)oc2c(C(=O)OC[C@H]3CCCCO3)cccc2c1=O c1ccc(cc1)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)OC[C@H]1CCCCO1)[*:1]
CC[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] CC[C@H](CCO)CNc1ccc(cc1F)[*:1]
CC[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1F OCC[*:1] CC[C@H](CNc1ccc(cc1F)[N+](=O)[O-])[*:1]
CC[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1F CC[C@H](CCO)[*:1] O=[N+]([O-])c1ccc(NC[*:1])c(F)c1
CCc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)sc2c1 C1CO[C@@H](C1)[*:1] CCc1ccc2nc(sc2c1)N(C[*:1])C(=O)[C@H]1CCCCN1S(C)(=O)=O
CCc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)sc2c1 C1CO[C@@H](C1)C[*:1] CCc1ccc2nc(sc2c1)N(C(=O)[C@H]1CCCCN1S(C)(=O)=O)[*:1]
C=CCSc1ccccc1C(=O)NCCC CCC[*:1] C=CCSc1ccccc1C(=O)N[*:1]
C=CCSc1ccccc1C(=O)NCCC C=CCS[*:1] CCCNC(=O)c1ccccc1[*:1]
C=CCSc1ccccc1C(=O)NCCC C=CC[*:1] CCCNC(=O)c1ccccc1S[*:1]
O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)Nc1ccccc1 c1coc(c1)[*:1] O=C(NC[C@@H](N1CCc2ccccc2C1)[*:1])Nc1ccccc1
O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)N[*:1]
O=C(Nc1ccc(-c2csc(N/N=C\c3ccccc3)n2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1csc(n1)N/N=C\c1ccccc1)[*:1]
O=C(Nc1ccc(-c2csc(N/N=C\c3ccccc3)n2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1csc(n1)NN=C[*:1])c1ccccc1
O=C(Nc1ccc(-c2csc(N/N=C\c3ccccc3)n2)cc1)c1ccccc1 C(=N\N[*:1])\c1ccccc1 O=C(Nc1ccc(cc1)-c1csc(n1)[*:1])c1ccccc1
O=C(Nc1ccc(-c2csc(N/N=C\c3ccccc3)n2)cc1)c1ccccc1 O=C(N[*:1])c1ccccc1 C(=N\Nc1nc(cs1)-c1ccc(cc1)[*:1])\c1ccccc1
CC(C)(C)OC(=O)N1CC(CC(=O)N2CCC(O)CC2)C1 CC(C)(C)[*:1] O=C(CC1CN(C1)C(=O)O[*:1])N1CCC(O)CC1
CCCC[NH+](C)CC1CCN(C(=O)NCC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CCCC[NH+](C)CC1CCN(CC1)C(=O)NC[*:1]
CCCC[NH+](C)CC1CCN(C(=O)NCC(=O)N2CCCC2)CC1 CCCC[*:1] C[NH+](CC1CCN(CC1)C(=O)NCC(=O)N1CCCC1)[*:1]
CCCC[NH+](C)CC1CCN(C(=O)NCC(=O)N2CCCC2)CC1 O=C(C[*:1])N1CCCC1 CCCC[NH+](C)CC1CCN(CC1)C(=O)N[*:1]
CCCC[NH+](C)CC1CCN(C(=O)NCC(=O)N2CCCC2)CC1 CCC[*:1] C[NH+](CC1CCN(CC1)C(=O)NCC(=O)N1CCCC1)C[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)c3ccc(NC(N)=O)cc3)c2)n1 NC(=O)N[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)c1ccc(cc1)[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)c3ccc(NC(N)=O)cc3)c2)n1 Cc1n[nH]c(n1)[*:1] NC(=O)Nc1ccc(cc1)C(=O)NCc1cccc(c1)[*:1]
O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)O[*:1]
CC1(C)C[NH+](CC(=O)NCc2cccnc2)CCS1 c1cncc(c1)[*:1] CC1(C)C[NH+](CCS1)CC(=O)NC[*:1]
COc1ccc([C@@H](C)NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[*:1]
CCN1CCC([NH2+][C@@H](C)CCCC(C)(C)O)CC1 CC(C)(O)CC[*:1] CCN1CCC(CC1)[NH2+][C@@H](C)C[*:1]
CCN1CCC([NH2+][C@@H](C)CCCC(C)(C)O)CC1 CC(C)(O)C[*:1] CCN1CCC(CC1)[NH2+][C@@H](C)CC[*:1]
CCN1CCC([NH2+][C@@H](C)CCCC(C)(C)O)CC1 CC(C)(O)[*:1] CCN1CCC(CC1)[NH2+][C@@H](C)CCC[*:1]
CCC[C@H](NC(=O)Cc1c[nH]c2c(C)cccc12)c1nnn[n-]1 CCC[*:1] Cc1cccc2c(c[nH]c12)CC(=O)N[C@H](c1nnn[n-]1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(cc1)NC(=O)NCc1ccco1
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 c1coc(c1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1ccc(cc1)NC(=O)NC[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 c1coc(c1)C[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1ccc(cc1)NC(=O)N[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)Nc1ccc(cc1)NC(=O)NCc1ccco1)[*:1]
CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 CSc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
CSc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 Cc1ccc(cc1)[*:1] CSc1ccc(cc1)[C@H]1CC(=O)NC2C[C@H](CC(=O)C=21)[*:1]
CCN(C[C@H](C)C(=O)OC)C(=O)c1cc(C#N)cn1C COC(=O)[C@@H](C)[*:1] CCN(C[*:1])C(=O)c1cc(C#N)cn1C
CCN(C[C@H](C)C(=O)OC)C(=O)c1cc(C#N)cn1C COC(=O)[*:1] CCN(C[C@H](C)[*:1])C(=O)c1cc(C#N)cn1C
CC[C@H](NC(=O)N(CCCO)[C@H]1CCc2ccccc21)c1nccs1 CC[C@H](c1nccs1)[*:1] O=C(N[*:1])N(CCCO)[C@H]1CCc2ccccc21
CC[C@H](NC(=O)N(CCCO)[C@H]1CCc2ccccc21)c1nccs1 OCCC[*:1] CC[C@H](NC(=O)N([C@H]1CCc2ccccc21)[*:1])c1nccs1
CC[C@H](NC(=O)N(CCCO)[C@H]1CCc2ccccc21)c1nccs1 OCC[*:1] CC[C@H](NC(=O)N(C[*:1])[C@H]1CCc2ccccc21)c1nccs1
CC[C@H](NC(=O)N(CCCO)[C@H]1CCc2ccccc21)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)N(CCCO)[C@H]1CCc2ccccc21)[*:1]
O=C(N[C@H]1CCCCC[C@@H]1C(=O)[O-])c1cncc(Br)c1 O=C([O-])[*:1] O=C(N[C@H]1CCCCC[C@H]1[*:1])c1cncc(Br)c1
COc1ccc([N-]S(=O)(=O)CCOC(C)C)cc1F CC(C)O[*:1] COc1ccc(cc1F)[N-]S(=O)(=O)CC[*:1]
COc1ccc([N-]S(=O)(=O)CCOC(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)[N-]S(=O)(=O)CCO[*:1]
COc1ccc([N-]S(=O)(=O)CCOC(C)C)cc1F CC(C)OCC[*:1] COc1ccc(cc1F)[N-]S(=O)(=O)[*:1]
COc1ccc([N-]S(=O)(=O)CCOC(C)C)cc1F CC(C)OC[*:1] COc1ccc(cc1F)[N-]S(=O)(=O)C[*:1]
COc1cccc([C@H]2C[C@@H]2C(=O)N2CCC[C@@H](c3n[nH]c(=S)n3C)C2)c1 Cn1c(n[nH]c1=S)[*:1] COc1cccc(c1)[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](C1)[*:1]
COc1cccc([C@H]2C[C@@H]2C(=O)N2CCC[C@@H](c3n[nH]c(=S)n3C)C2)c1 COc1cccc(c1)[*:1] Cn1c(n[nH]c1=S)[C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H]1[*:1]
Cc1cccc(OCCNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 Cc1cccc(c1)O[*:1] Cn1cnc2c1c(=O)n(CC(=O)NCC[*:1])c(=O)n2C
Cc1cccc(OCCNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 Cc1cccc(c1)[*:1] Cn1cnc2c1c(=O)n(CC(=O)NCCO[*:1])c(=O)n2C
Cc1cccc(OCCNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 Cc1cccc(c1)OC[*:1] Cn1cnc2c1c(=O)n(CC(=O)NC[*:1])c(=O)n2C
CCc1cnc(CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)o1 CCc1cnc(o1)[*:1] O=C(c1c(F)cccc1Cl)N1CCN(CC1)C[*:1]
CCc1cnc(CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)o1 CCc1cnc(C[*:1])o1 O=C(c1c(F)cccc1Cl)N1CCN(CC1)[*:1]
CCc1cnc(CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)o1 Fc1cccc(Cl)c1[*:1] CCc1cnc(CN2CCN(CC2)C(=O)[*:1])o1
Cc1cc(C(=O)NCC(=O)NC[C@@](C)(O)c2ccc(F)cc2)c(C)o1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)NCC(=O)NC[C@@](C)(O)[*:1])c(C)o1
Cc1cc(C(=O)NCC(=O)NC[C@@](C)(O)c2ccc(F)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@](O)(CNC(=O)CNC(=O)[*:1])c1ccc(F)cc1
COC(=O)C(=O)N1CC[C@H]2NC(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 Cc1ccc(cc1)[*:1] COC(=O)C(=O)N1CC[C@H]2NC(=O)N(C(=O)[C@H]21)[*:1]
O=C(/C=C/c1cccs1)Nc1ccc(Cn2ccccc2=O)cc1 C(=C[*:1])c1cccs1 O=C(Nc1ccc(cc1)Cn1ccccc1=O)[*:1]
O=C(/C=C/c1cccs1)Nc1ccc(Cn2ccccc2=O)cc1 c1csc(c1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)Cn1ccccc1=O
O=C(/C=C/c1cccs1)Nc1ccc(Cn2ccccc2=O)cc1 O=c1ccccn1[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)C[*:1]
O=C(/C=C/c1cccs1)Nc1ccc(Cn2ccccc2=O)cc1 O=c1ccccn1C[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)[*:1]
Cc1ccccc1OCC#CCNC(=O)CCn1cnc2ccccc2c1=O Cc1ccccc1O[*:1] O=C(CCn1cnc2ccccc2c1=O)NCC#CC[*:1]
Cc1ccccc1OCC#CCNC(=O)CCn1cnc2ccccc2c1=O Cc1ccccc1[*:1] O=C(CCn1cnc2ccccc2c1=O)NCC#CCO[*:1]
Cc1ccccc1OCC#CCNC(=O)CCn1cnc2ccccc2c1=O Cc1ccccc1OC[*:1] O=C(CCn1cnc2ccccc2c1=O)NCC#C[*:1]
Cn1c(C[NH+](C)CCO)nnc1C1CC[NH+](Cc2c[nH]cn2)CC1 OCC[*:1] Cn1c(C[NH+](C)[*:1])nnc1C1CC[NH+](CC1)Cc1c[nH]cn1
Cn1c(C[NH+](C)CCO)nnc1C1CC[NH+](Cc2c[nH]cn2)CC1 c1nc(c[nH]1)[*:1] Cn1c(C[NH+](C)CCO)nnc1C1CC[NH+](CC1)C[*:1]
Cn1c(C[NH+](C)CCO)nnc1C1CC[NH+](Cc2c[nH]cn2)CC1 c1nc(c[nH]1)C[*:1] Cn1c(C[NH+](C)CCO)nnc1C1CC[NH+](CC1)[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc2c1OCCO2 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)N1CCCC1)c1cccc2OCCOc21
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc2c1OCCO2 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)N1CCCC1)[*:1])c1cccc2OCCOc21
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc2c1OCCO2 O=C(N1CCCC1)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1cccc2OCCOc21
CC(C)NC(=O)C(=O)N/N=C/c1ccccn1 CC(C)[*:1] O=C(N/N=C/c1ccccn1)C(=O)N[*:1]
COc1ccc2c(c1)C=C(C(=O)N(C)C)CO2 CN(C)C(=O)[*:1] COc1ccc2OCC(=Cc2c1)[*:1]
O=C1CC[C@@](CCC(=O)N2CC[C@H](c3ccccc3Cl)C2)(Cc2ccccc2)N1 c1ccc(cc1)[*:1] O=C1CC[C@@](CCC(=O)N2CC[C@@H](C2)c2ccccc2Cl)(C[*:1])N1
O=C1CC[C@@](CCC(=O)N2CC[C@H](c3ccccc3Cl)C2)(Cc2ccccc2)N1 c1ccc(cc1)C[*:1] O=C1CC[C@@](CCC(=O)N2CC[C@@H](C2)c2ccccc2Cl)(N1)[*:1]
O=C1CC[C@@](CCC(=O)N2CC[C@H](c3ccccc3Cl)C2)(Cc2ccccc2)N1 Clc1ccccc1[*:1] O=C1CC[C@@](CCC(=O)N2CC[C@H](C2)[*:1])(Cc2ccccc2)N1
CC(=O)c1ccc(N2CCCN(C(N)=O)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(c(c1)[*:1])N1CCCN(CC1)C(N)=O
CC(=O)c1ccc(N2CCCN(C(N)=O)CC2)c([N+](=O)[O-])c1 CC(=O)[*:1] NC(=O)N1CCCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
Cc1ccc([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@H]1Nc2cc(Cl)ccc2C(=O)N1C
C[C@H](NC(=O)[C@H]1SCCc2ccccc21)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H](NC(=O)[C@H]1SCCc2ccccc21)c1cccc(c1)[*:1]
COc1ccc(NC(=O)c2ccc3cc[nH]c3c2)c(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] COc1ccc(NC(=O)c2ccc3cc[nH]c3c2)c(c1)[*:1]
COc1ccc(NC(=O)c2ccc3cc[nH]c3c2)c(C(=O)NC2CC2)c1 C1CC1[*:1] COc1ccc(NC(=O)c2ccc3cc[nH]c3c2)c(c1)C(=O)N[*:1]
COc1ccccc1CNC(=O)C[NH+]1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 COc1ccccc1C[*:1] O=C(C[NH+]1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)N[*:1]
COc1ccccc1CNC(=O)C[NH+]1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 COc1ccccc1[*:1] O=C(C[NH+]1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)NC[*:1]
CC(C)CCOc1ccccc1-c1cc(C(=O)[O-])no1 CC(C)C[*:1] O=C([O-])c1cc(on1)-c1ccccc1OC[*:1]
CC(C)CCOc1ccccc1-c1cc(C(=O)[O-])no1 CC(C)[*:1] O=C([O-])c1cc(on1)-c1ccccc1OCC[*:1]
CC(C)CCOc1ccccc1-c1cc(C(=O)[O-])no1 CC(C)CC[*:1] O=C([O-])c1cc(on1)-c1ccccc1O[*:1]
CC(C)CCOc1ccccc1-c1cc(C(=O)[O-])no1 CC(C)CCO[*:1] O=C([O-])c1cc(on1)-c1ccccc1[*:1]
CC(C)CCOc1ccccc1-c1cc(C(=O)[O-])no1 O=C([O-])[*:1] CC(C)CCOc1ccccc1-c1cc(no1)[*:1]
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 C1CCC(CC1)[*:1] CC[C@H](C[*:1])C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 C1CCC(CC1)C[*:1] CC[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)[*:1]
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CC[C@H](CC1CCCCC1)C(=O)NNC(=O)[*:1]
CNC(=O)c1nn(C[NH+]2CCN(c3ccc(C(C)=O)cc3F)CC2)c(=O)c2ccccc12 CNC(=O)[*:1] CC(=O)c1ccc(c(F)c1)N1CC[NH+](CC1)Cn1nc(c2ccccc2c1=O)[*:1]
CNC(=O)c1nn(C[NH+]2CCN(c3ccc(C(C)=O)cc3F)CC2)c(=O)c2ccccc12 CC(=O)[*:1] CNC(=O)c1nn(C[NH+]2CCN(CC2)c2ccc(cc2F)[*:1])c(=O)c2ccccc12
CNC(=O)c1nn(C[NH+]2CCN(c3ccc(C(C)=O)cc3F)CC2)c(=O)c2ccccc12 CC(=O)c1ccc(c(F)c1)[*:1] CNC(=O)c1nn(C[NH+]2CCN(CC2)[*:1])c(=O)c2ccccc12
CCCN(CC1CC1)C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 CCC[*:1] O=C(c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 C1CC1[*:1] CCCN(C[*:1])C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12
CCCN(CC1CC1)C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 c1ccc(nc1)[*:1] CCCN(CC1CC1)C(=O)c1nn(c2nccc(-c3cccs3)c12)[*:1]
CCCN(CC1CC1)C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 c1csc(c1)[*:1] CCCN(CC1CC1)C(=O)c1nn(-c2ccccn2)c2nccc(c12)[*:1]
CCCN(CC1CC1)C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 CCCN(CC1CC1)C(=O)[*:1] c1ccc(nc1)-n1nc(c2c(ccnc21)-c1cccs1)[*:1]
CCCN(CC1CC1)C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 C1CC1C[*:1] CCCN(C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12)[*:1]
Cn1ccc(-c2cccc(-c3ccc(C#N)cc3)c2)n1 Cn1ccc(n1)[*:1] N#Cc1ccc(cc1)-c1cccc(c1)[*:1]
Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccco2)n(CC(C)C)c1C c1ccc2[nH]c(nc2c1)[*:1] Cc1c(c(NC(=O)c2ccco2)n(CC(C)C)c1C)[*:1]
Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccco2)n(CC(C)C)c1C c1coc(c1)[*:1] Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)[*:1])n(CC(C)C)c1C
Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccco2)n(CC(C)C)c1C O=C(N[*:1])c1ccco1 Cc1c(-c2nc3ccccc3[nH]2)c(n(CC(C)C)c1C)[*:1]
Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccco2)n(CC(C)C)c1C CC(C)[*:1] Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccco2)n(C[*:1])c1C
Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccco2)n(CC(C)C)c1C CC(C)C[*:1] Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccco2)n(c1C)[*:1]
CCn1ccc(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)n1 CCn1ccc(n1)[*:1] C[C@]1(Oc2ccccc2NC1=O)C(=O)N[*:1]
Cc1n[nH]cc1NC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 Cc1n[nH]cc1[*:1] Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[*:1])c1C
Cc1n[nH]cc1NC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1n[nH]cc1NC(=O)C(=O)Nc1c(C)c(C)nn1[*:1]
CCC(CC)(C(=O)[O-])n1nnnc1[C@H]1C[C@H]2CC[C@@H]1C2 O=C([O-])[*:1] CCC(CC)(n1nnnc1[C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
Cc1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nnn1-c1nc(-c2ccccc2)cs1 NS(=O)(=O)[*:1] Cc1c(nnn1-c1nc(cs1)-c1ccccc1)C(=O)NCc1ccc(cc1)[*:1]
Cc1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nnn1-c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1c(nnn1-c1nc(cs1)[*:1])C(=O)NCc1ccc(cc1)S(N)(=O)=O
Cc1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nnn1-c1nc(-c2ccccc2)cs1 NS(=O)(=O)c1ccc(cc1)[*:1] Cc1c(nnn1-c1nc(cs1)-c1ccccc1)C(=O)NC[*:1]
COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)c1 FC(F)(F)[*:1] COc1cccc(c1)[C@H]1C[C@@H](n2nc(cc2N1)C(=O)Nc1ccc(Cl)cc1)[*:1]
COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)c1 O=C(Nc1ccc(Cl)cc1)[*:1] COc1cccc(c1)[C@H]1C[C@H](n2nc(cc2N1)[*:1])C(F)(F)F
COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1C[C@H](n2nc(cc2N1)C(=O)N[*:1])C(F)(F)F
COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(Cl)cc1)c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)[*:1]
Cc1ccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1F CS(=O)(=O)[*:1] Cc1ccc(cc1F)C(=O)Nc1ccc(C)c(c1)[*:1]
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccc3ccccc3c2)c2ccccc21 CC(=O)C[*:1] O=C1N(CCCOc2ccc3ccccc3c2)c2ccccc2[C@]1(O)[*:1]
CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccc3ccccc3c2)c2ccccc21 CC(=O)[*:1] O=C1N(CCCOc2ccc3ccccc3c2)c2ccccc2[C@@]1(O)C[*:1]
C[C@@H](CNC(=O)CC1(O)CCCC1)c1ccsc1 OC1(CCCC1)[*:1] C[C@@H](CNC(=O)C[*:1])c1ccsc1
C[C@@H](CNC(=O)CC1(O)CCCC1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)CC1(O)CCCC1)[*:1]
Cc1cccc(OCCNC(=O)CCc2c(C)nc3cc(C)nn3c2C)c1 Cc1cccc(c1)[*:1] Cc1cc2nc(C)c(CCC(=O)NCCO[*:1])c(C)n2n1
Cc1cccc(OCCNC(=O)CCc2c(C)nc3cc(C)nn3c2C)c1 Cc1cccc(c1)OC[*:1] Cc1cc2nc(C)c(CCC(=O)NC[*:1])c(C)n2n1
Cc1cccc(OCCNC(=O)CCc2c(C)nc3cc(C)nn3c2C)c1 Cc1cccc(c1)O[*:1] Cc1cc2nc(C)c(CCC(=O)NCC[*:1])c(C)n2n1
CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccn1 CCC[*:1] Cc1ccc2cc(CN(C(=O)c3ccccn3)[*:1])c(=O)[nH]c2c1
CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccn1 c1ccc(nc1)[*:1] CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)[*:1]
CCCCn1c([C@H](C)NC(=O)c2ccccc2C)nc2ccccc21 CCCC[*:1] Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1[*:1]
CCCCn1c([C@H](C)NC(=O)c2ccccc2C)nc2ccccc21 Cc1ccccc1[*:1] CCCCn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
CCCCn1c([C@H](C)NC(=O)c2ccccc2C)nc2ccccc21 CCC[*:1] Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1C[*:1]
Cc1cccc(N(CCC(N)=O)Cc2ncc(C(C)(C)C)o2)c1 CC(C)(C)[*:1] Cc1cccc(c1)N(CCC(N)=O)Cc1ncc(o1)[*:1]
Cc1cccc(N(CCC(N)=O)Cc2ncc(C(C)(C)C)o2)c1 NC(=O)[*:1] Cc1cccc(c1)N(CC[*:1])Cc1ncc(o1)C(C)(C)C
Cc1cccc(N(CCC(N)=O)Cc2ncc(C(C)(C)C)o2)c1 NC(=O)CC[*:1] Cc1cccc(c1)N(Cc1ncc(o1)C(C)(C)C)[*:1]
Cc1cccc(N(CCC(N)=O)Cc2ncc(C(C)(C)C)o2)c1 NC(=O)C[*:1] Cc1cccc(c1)N(Cc1ncc(o1)C(C)(C)C)C[*:1]
Cc1cccc(N(CCC(N)=O)Cc2ncc(C(C)(C)C)o2)c1 Cc1cccc(c1)[*:1] CC(C)(C)c1cnc(CN(CCC(N)=O)[*:1])o1
CSc1ccc([C@@H]2[C@]3(C#N)C(N)=[NH+][C@]4(OC[C@@H](C)O4)[C@]23C#N)cc1 CSc1ccc(cc1)[*:1] C[C@@H]1CO[C@]2([NH+]=C(N)[C@@]3(C#N)[C@H]([C@@]23C#N)[*:1])O1
CC(C)[C@@H](C)S(=O)(=O)[C@H](C)C(=O)NC1CCCC1 CC(C)[*:1] C[C@H](C(=O)NC1CCCC1)S(=O)(=O)[C@H](C)[*:1]
CC(C)[C@@H](C)S(=O)(=O)[C@H](C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CC(C)[C@@H](C)S(=O)(=O)[C@H](C)C(=O)N[*:1]
CC(C)[C@@H](C)S(=O)(=O)[C@H](C)C(=O)NC1CCCC1 CC(C)[C@@H](C)[*:1] C[C@H](C(=O)NC1CCCC1)S(=O)(=O)[*:1]
Cn1cc(CCC(=O)Nc2nc3c(cc2C#N)CCC3)cn1 Cn1cc(cn1)[*:1] N#Cc1cc2CCCc2nc1NC(=O)CC[*:1]
Cn1cc(CCC(=O)Nc2nc3c(cc2C#N)CCC3)cn1 Cn1cc(cn1)C[*:1] N#Cc1cc2CCCc2nc1NC(=O)C[*:1]
CCCCC1CCC(C(=O)Oc2cccc(-n3cnnn3)c2)CC1 CCCC[*:1] O=C(Oc1cccc(c1)-n1cnnn1)C1CCC(CC1)[*:1]
CCCCC1CCC(C(=O)Oc2cccc(-n3cnnn3)c2)CC1 c1nnnn1[*:1] CCCCC1CCC(CC1)C(=O)Oc1cccc(c1)[*:1]
CCCCC1CCC(C(=O)Oc2cccc(-n3cnnn3)c2)CC1 CCC[*:1] O=C(Oc1cccc(c1)-n1cnnn1)C1CCC(CC1)C[*:1]
Cc1ccc(C)c(SCC(=O)NCc2nc(C)c(C)s2)c1 Cc1nc(sc1C)[*:1] Cc1ccc(C)c(c1)SCC(=O)NC[*:1]
O=C(N/N=C/C1=c2ccccc2=[NH+]C1)[C@H]1C=C(c2cccs2)N=N1 c1csc(c1)[*:1] O=C(N/N=C/C1C[NH+]=c2ccccc2=1)[C@H]1C=C(N=N1)[*:1]
NC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cc1Cl NC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])N1CCCCC[C@H]1c1ccccc1
NC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cc1Cl c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)N1CCCCC[C@@H]1[*:1]
C[NH+](C)[C@H](CNC(=O)c1cc(F)ccc1Br)C1CC1 C1CC1[*:1] C[NH+](C)[C@H](CNC(=O)c1cc(F)ccc1Br)[*:1]
Cc1cc(NC(=O)N2CCN(c3ccccc3)CC2)c2ncccc2c1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)N2CCN(CC2)[*:1])c2ncccc2c1
Cc1sc2ncn(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2ncn(CC(=O)Nc3c(C)n(C)n(c3=O)[*:1])c(=O)c2c1C
[O-]c1cc(CNc2ccc(F)cc2)nc2nc(-c3ccccc3)nn12 Fc1ccc(cc1)[*:1] [O-]c1cc(CN[*:1])nc2nc(nn12)-c1ccccc1
[O-]c1cc(CNc2ccc(F)cc2)nc2nc(-c3ccccc3)nn12 Fc1ccc(cc1)N[*:1] [O-]c1cc(C[*:1])nc2nc(nn12)-c1ccccc1
[O-]c1cc(CNc2ccc(F)cc2)nc2nc(-c3ccccc3)nn12 c1ccc(cc1)[*:1] [O-]c1cc(CNc2ccc(F)cc2)nc2nc(nn12)[*:1]
Cc1ccc(NC(=O)Nc2cccc3c2CCN(Cc2ccon2)C3)cc1 c1cc(C[*:1])no1 Cc1ccc(cc1)NC(=O)Nc1cccc2CN(CCc21)[*:1]
Cc1ccc(NC(=O)Nc2cccc3c2CCN(Cc2ccon2)C3)cc1 c1cc(no1)[*:1] Cc1ccc(cc1)NC(=O)Nc1cccc2CN(CCc21)C[*:1]
Cc1ccc(NC(=O)Nc2cccc3c2CCN(Cc2ccon2)C3)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc2CN(CCc21)Cc1ccon1)N[*:1]
C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1noc(C[*:1])n1
C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1noc(n1)[*:1]
CC[C@H]1CCCCN1C(=O)[C@@H](C)Nc1ccn(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 CC[C@H]1CCCCN1C(=O)[C@@H](C)Nc1ccn(n1)[*:1]
CC[C@H]1CCCCN1C(=O)[C@@H](C)Nc1ccn(Cc2ccccn2)n1 c1ccc(nc1)[*:1] CC[C@H]1CCCCN1C(=O)[C@@H](C)Nc1ccn(C[*:1])n1
Cc1cc(C(=O)N2CCC(CNS(=O)(=O)c3ccc(Cl)s3)CC2)no1 Clc1ccc(s1)[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)CNS(=O)(=O)[*:1]
Cc1cc(C(=O)N2CCC(CNS(=O)(=O)c3ccc(Cl)s3)CC2)no1 Cc1cc(no1)[*:1] O=C(N1CCC(CC1)CNS(=O)(=O)c1ccc(Cl)s1)[*:1]
CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1Cc1nccs1 CCC[*:1] C[C@H]1CC[C@@H]([NH2+][*:1])[C@@H](Cc2nccs2)C1
CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1Cc1nccs1 c1csc(n1)[*:1] CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[*:1]
CC(C)OCc1c(C(=O)[C@@H](C#N)c2ccc(F)cn2)oc2ccccc12 CC(C)O[*:1] N#C[C@H](C(=O)c1oc2ccccc2c1C[*:1])c1ccc(F)cn1
CC(C)OCc1c(C(=O)[C@@H](C#N)c2ccc(F)cn2)oc2ccccc12 Fc1ccc(nc1)[*:1] CC(C)OCc1c(oc2ccccc12)C(=O)[C@@H](C#N)[*:1]
CC(C)OCc1c(C(=O)[C@@H](C#N)c2ccc(F)cn2)oc2ccccc12 CC(C)OC[*:1] N#C[C@H](C(=O)c1oc2ccccc2c1[*:1])c1ccc(F)cn1
CC(C)OCc1c(C(=O)[C@@H](C#N)c2ccc(F)cn2)oc2ccccc12 CC(C)[*:1] N#C[C@H](C(=O)c1oc2ccccc2c1CO[*:1])c1ccc(F)cn1
Cc1cnn(CCCCCSc2ncc[nH]2)c1 c1c[nH]c(n1)[*:1] Cc1cnn(c1)CCCCCS[*:1]
CCOC(=O)[C@@H](N)c1cccc(OC)n1 CCOC(=O)[*:1] COc1cccc(n1)[C@H](N)[*:1]
COc1cc(C)c(C(=O)NCc2cccnc2OC2CCCC2)cc1OC C1CCC(C1)[*:1] COc1cc(C)c(cc1OC)C(=O)NCc1cccnc1O[*:1]
COc1cc(C)c(C(=O)NCc2cccnc2OC2CCCC2)cc1OC C1CCC(C1)O[*:1] COc1cc(C)c(cc1OC)C(=O)NCc1cccnc1[*:1]
CCC[C@H]1C[NH2+]CC[C@@H]1c1cccc(C)c1C CCC[*:1] Cc1cccc(c1C)[C@H]1CC[NH2+]C[C@@H]1[*:1]
O=C(Cn1nc2n(c1=O)-c1ccccc1SC2)NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nc2CSc3ccccc3-n2c1=O)NC(=O)N[*:1]
Cc1ccc(OCC(=O)N[C@H]2CCCc3c2cnn3C)cc1 Cc1ccc(cc1)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)CO[*:1]
C[C@H]1CCC[C@@H](C)N(C(=O)C[C@H](O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C)N(C1)C(=O)C[C@H](O)[*:1]
COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCC(C(N)=O)CC2)ccc1O COc1cc(ccc1O)[*:1] NC(=O)C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C[*:1]
COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCC(C(N)=O)CC2)ccc1O NC(=O)[*:1] COc1cc(ccc1O)CN1Cc2ccccc2C[C@H]1C(=O)N1CCC(CC1)[*:1]
COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCC(C(N)=O)CC2)ccc1O COc1cc(ccc1O)C[*:1] NC(=O)C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1[*:1]
O=C(Nc1cnc(N2CCCCC2)nc1)c1ccccc1Cl C1CCN(CC1)[*:1] O=C(Nc1cnc(nc1)[*:1])c1ccccc1Cl
O=C(Nc1cnc(N2CCCCC2)nc1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1cnc(nc1)N1CCCCC1)[*:1]
C[C@@H](NCCc1ncn(C)n1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](NCCc1ncn(C)n1)c1ccc(cc1)[*:1]
C[C@@H](NCCc1ncn(C)n1)c1ccc(C(F)(F)F)cc1 Cn1cnc(C[*:1])n1 C[C@@H](NC[*:1])c1ccc(cc1)C(F)(F)F
C[C@@H](NCCc1ncn(C)n1)c1ccc(C(F)(F)F)cc1 Cn1cnc(n1)[*:1] C[C@@H](NCC[*:1])c1ccc(cc1)C(F)(F)F
COC(=O)c1c(CC(C)C)csc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 CC(C)C[*:1] COC(=O)c1c(csc1NC(=O)Cc1nn(C)c(=O)c2ccccc12)[*:1]
COC(=O)c1c(CC(C)C)csc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 CC(C)[*:1] COC(=O)c1c(csc1NC(=O)Cc1nn(C)c(=O)c2ccccc12)C[*:1]
COC(=O)c1c(CC(C)C)csc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 COC(=O)[*:1] CC(C)Cc1csc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1[*:1]
CNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)C(C)C)cc1 CC(C)[C@@H](C)[*:1] CNS(=O)(=O)c1ccc(cc1)C(=O)N(C1CC1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)C(C)C)cc1 C1CC1[*:1] CNS(=O)(=O)c1ccc(cc1)C(=O)N([C@H](C)C(C)C)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)C(C)C)cc1 CC(C)[*:1] CNS(=O)(=O)c1ccc(cc1)C(=O)N(C1CC1)[C@H](C)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)C(C)C)cc1 CNS(=O)(=O)[*:1] CC(C)[C@@H](C)N(C(=O)c1ccc(cc1)[*:1])C1CC1
O[C@H](CSc1nnc(N2CCCCC2)n1C1CC1)c1ccccc1 C1CC1[*:1] O[C@H](CSc1nnc(N2CCCCC2)n1[*:1])c1ccccc1
O[C@H](CSc1nnc(N2CCCCC2)n1C1CC1)c1ccccc1 C1CCN(CC1)[*:1] O[C@H](CSc1nnc(n1C1CC1)[*:1])c1ccccc1
O[C@H](CSc1nnc(N2CCCCC2)n1C1CC1)c1ccccc1 O[C@H](c1ccccc1)[*:1] C1CCN(CC1)c1nnc(SC[*:1])n1C1CC1
O[C@H](CSc1nnc(N2CCCCC2)n1C1CC1)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](CSc1nnc(N2CCCCC2)n1C1CC1)[*:1]
CCOC(=O)N1CCC(NC(=O)C[NH+](C)Cc2cccc(C#N)c2)CC1 N#Cc1cccc(c1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)C[NH+](C)C[*:1]
C/C(=C\C1CCCCC1)C[NH2+]C(C)(C)C CC(C)(C)[*:1] C/C(=C\C1CCCCC1)C[NH2+][*:1]
N#Cc1csc(C(=O)N[C@H](c2cc(F)ccc2F)C2CC2)c1 C1CC1[*:1] N#Cc1csc(c1)C(=O)N[C@H](c1cc(F)ccc1F)[*:1]
N#Cc1csc(C(=O)N[C@H](c2cc(F)ccc2F)C2CC2)c1 N#Cc1csc(c1)[*:1] O=C(N[C@H](c1cc(F)ccc1F)C1CC1)[*:1]
COc1ccccc1Oc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1 COc1ccccc1O[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1Oc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1 CC(=O)N[*:1] COc1ccccc1Oc1ccc(cc1)NC(=O)C(=Cc1ccccc1)[*:1]
COc1ccccc1Oc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1 COc1ccccc1[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(cc1)O[*:1]
COc1ccccc1Oc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1 c1ccc(cc1)[*:1] COc1ccccc1Oc1ccc(cc1)NC(=O)C(=C[*:1])NC(C)=O
O=C(NCCC1=c2ccccc2=[NH+]C1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)C(=O)N[*:1]
O=C(NCC1CC1)NNC(=O)[C@@H]1CCCO1 C1CC1C[*:1] O=C(NNC(=O)[C@@H]1CCCO1)N[*:1]
O=C(NCC1CC1)NNC(=O)[C@@H]1CCCO1 C1CC1[*:1] O=C(NC[*:1])NNC(=O)[C@@H]1CCCO1
O=C(NCC1CC1)NNC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(NCC1CC1)NNC(=O)[*:1]
Cc1nc(C)n(Cc2cccc(NC(=O)Nc3nc(C(C)C)nn3C)c2)n1 CC(C)c1nc(n(C)n1)[*:1] Cc1nc(C)n(Cc2cccc(c2)NC(=O)N[*:1])n1
Cc1nc(C)n(Cc2cccc(NC(=O)Nc3nc(C(C)C)nn3C)c2)n1 CC(C)[*:1] Cc1nc(C)n(Cc2cccc(c2)NC(=O)Nc2nc(nn2C)[*:1])n1
Cc1nc(C)n(Cc2cccc(NC(=O)Nc3nc(C(C)C)nn3C)c2)n1 Cc1nc(C)n(n1)[*:1] CC(C)c1nc(NC(=O)Nc2cccc(c2)C[*:1])n(C)n1
Cc1nc(C)n(Cc2cccc(NC(=O)Nc3nc(C(C)C)nn3C)c2)n1 Cc1nc(C)n(C[*:1])n1 CC(C)c1nc(NC(=O)Nc2cccc(c2)[*:1])n(C)n1
O=C(N[C@H]1CCN(c2ccccc2)C1)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(N[C@H]1CCN(C1)c1ccccc1)N1CCC[C@H]1[*:1]
O=C(N[C@H]1CCN(c2ccccc2)C1)N1CCC[C@@H]1c1cccs1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1)[*:1])N1CCC[C@@H]1c1cccs1
CCC(CC)C(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] CCC(CC)C(=O)N(Cc1ccc(o1)[*:1])[C@H]1CCS(=O)(=O)C1
CCC(CC)C(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 CCC(CC)[*:1] O=C(N(Cc1ccc(o1)-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1)[*:1]
CN1/C(=C\C(=O)COC(=O)c2ccc(F)cc2F)C(C)(C)c2ccccc21 Fc1ccc(c(F)c1)[*:1] CN1/C(=C\C(=O)COC(=O)[*:1])C(C)(C)c2ccccc21
CCC[NH2+][C@H](c1cc(Br)ccc1F)C1CCC1 C1CC(C1)[*:1] CCC[NH2+][C@H](c1cc(Br)ccc1F)[*:1]
CCC[NH2+][C@H](c1cc(Br)ccc1F)C1CCC1 CCC[*:1] Fc1ccc(Br)cc1[C@@H]([NH2+][*:1])C1CCC1
O=c1[nH]c(=O)n(Cc2cc(-c3cccs3)on2)cc1Cl c1csc(c1)[*:1] O=c1[nH]c(=O)n(cc1Cl)Cc1cc(on1)[*:1]
Cc1cc(C[C@]2(C3CC3)CCC[NH2+]2)n(C)n1 C1CC1[*:1] Cc1cc(C[C@@]2(CCC[NH2+]2)[*:1])n(C)n1
C[NH2+][C@H](c1ccc(OC)c(OC)c1)C(C)(C)OC COC(C)(C)[*:1] C[NH2+][C@H](c1ccc(OC)c(c1)OC)[*:1]
Cc1ccc(C)c(NC(=S)NCCNc2nc3cc4c(cc3cc2C#N)OCO4)c1 Cc1ccc(C)c(c1)[*:1] N#Cc1cc2cc3OCOc3cc2nc1NCCNC(=S)N[*:1]
Cc1ccnc2nc(C(=O)Nc3ccc(Oc4ncccn4)cc3)nn12 c1cnc(nc1)O[*:1] Cc1ccnc2nc(nn12)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccnc2nc(C(=O)Nc3ccc(Oc4ncccn4)cc3)nn12 c1cnc(nc1)[*:1] Cc1ccnc2nc(nn12)C(=O)Nc1ccc(cc1)O[*:1]
CC[NH2+][C@H](Cc1cccc(C(F)(F)F)c1)[C@@H](C)OC FC(F)(F)[*:1] CC[NH2+][C@H](Cc1cccc(c1)[*:1])[C@@H](C)OC
CC[NH2+][C@H](Cc1cccc(C(F)(F)F)c1)[C@@H](C)OC CO[C@H](C)[*:1] CC[NH2+][C@H](Cc1cccc(c1)C(F)(F)F)[*:1]
CCOc1ccc(C(=O)Nc2cncc3ccccc23)cn1 CCO[*:1] O=C(Nc1cncc2ccccc12)c1ccc(nc1)[*:1]
CC(=O)C1=C(C)NC(=O)c2ccc(-c3cccnc3)nc2[C@@H]1O CC(=O)[*:1] CC1NC(=O)c2ccc(nc2[C@H](O)C=1[*:1])-c1cccnc1
CC(=O)C1=C(C)NC(=O)c2ccc(-c3cccnc3)nc2[C@@H]1O c1cncc(c1)[*:1] CC(=O)C1=C(C)NC(=O)c2ccc(nc2[C@@H]1O)[*:1]
Cc1ccc(OCc2ccc(S(=O)(=O)N(C)C)o2)c(Cl)c1 CN(C)S(=O)(=O)[*:1] Cc1ccc(OCc2ccc(o2)[*:1])c(Cl)c1
CO[C@H](C)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 CO[C@H](C)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)[*:1]
CO[C@H](C)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 NC(=O)[*:1] CO[C@H](C)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
O=C([O-])CN1C(=O)N[C@](c2cccs2)(C2CC2)C1=O C1CC1[*:1] O=C([O-])CN1C(=O)N[C@@](C1=O)(c1cccs1)[*:1]
O=C([O-])CN1C(=O)N[C@](c2cccs2)(C2CC2)C1=O c1csc(c1)[*:1] O=C([O-])CN1C(=O)N[C@@](C1=O)(C1CC1)[*:1]
O=C([O-])CN1C(=O)N[C@](c2cccs2)(C2CC2)C1=O O=C([O-])C[*:1] O=C1N[C@](C(=O)N1[*:1])(c1cccs1)C1CC1
O=C([O-])CN1C(=O)N[C@](c2cccs2)(C2CC2)C1=O O=C([O-])[*:1] O=C1N[C@](C(=O)N1C[*:1])(c1cccs1)C1CC1
COc1cc(C[NH2+]C(C)C)cc(I)c1OCC#N N#CCO[*:1] COc1cc(cc(I)c1[*:1])C[NH2+]C(C)C
COc1cc(C[NH2+]C(C)C)cc(I)c1OCC#N N#CC[*:1] COc1cc(cc(I)c1O[*:1])C[NH2+]C(C)C
COc1cc(C[NH2+]C(C)C)cc(I)c1OCC#N CC(C)[*:1] COc1cc(cc(I)c1OCC#N)C[NH2+][*:1]
COCC(=O)NCCc1ccccc1F COC[*:1] O=C(NCCc1ccccc1F)[*:1]
NC(=O)[C@H](NC(=O)C[C@@H](O)c1cccc(F)c1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](NC(=O)C[C@@H](O)c1cccc(F)c1)[*:1]
NC(=O)[C@H](NC(=O)C[C@@H](O)c1cccc(F)c1)c1ccccc1 Fc1cccc(c1)[*:1] NC(=O)[C@H](NC(=O)C[C@@H](O)[*:1])c1ccccc1
NC(=O)[C@H](NC(=O)C[C@@H](O)c1cccc(F)c1)c1ccccc1 NC(=O)[*:1] O=C(C[C@@H](O)c1cccc(F)c1)N[C@H](c1ccccc1)[*:1]
CCCCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 CCC[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)C[*:1]
CCCCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 CCCC[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)[*:1]
CC(C)(C)C(=O)NC[C@@H](c1cccnc1)N1CCOCC1 CC(C)(C)C(=O)N[*:1] c1cncc(c1)[C@H](C[*:1])N1CCOCC1
CC(C)(C)C(=O)NC[C@@H](c1cccnc1)N1CCOCC1 CC(C)(C)[*:1] O=C(NC[C@@H](c1cccnc1)N1CCOCC1)[*:1]
CC(C)(C)C(=O)NC[C@@H](c1cccnc1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(C)C(=O)NC[C@@H](c1cccnc1)[*:1]
CC(C)(C)C(=O)NC[C@@H](c1cccnc1)N1CCOCC1 c1cncc(c1)[*:1] CC(C)(C)C(=O)NC[C@@H](N1CCOCC1)[*:1]
O=C(c1cnc(-c2ccco2)s1)N1CCCC[C@@H]1c1[nH]c(-c2cccc(F)c2)c[nH+]1 c1coc(c1)[*:1] O=C(c1cnc(s1)[*:1])N1CCCC[C@@H]1c1[nH]c(c[nH+]1)-c1cccc(F)c1
O=C(c1cnc(-c2ccco2)s1)N1CCCC[C@@H]1c1[nH]c(-c2cccc(F)c2)c[nH+]1 c1coc(c1)-c1ncc(s1)[*:1] O=C(N1CCCC[C@@H]1c1[nH]c(c[nH+]1)-c1cccc(F)c1)[*:1]
O=C(c1cnc(-c2ccco2)s1)N1CCCC[C@@H]1c1[nH]c(-c2cccc(F)c2)c[nH+]1 Fc1cccc(c1)[*:1] O=C(c1cnc(s1)-c1ccco1)N1CCCC[C@@H]1c1[nH]c(c[nH+]1)[*:1]
CCOCC1CC[NH+](Cc2cn(C)nc2C(C)C)CC1 CCO[*:1] CC(C)c1nn(C)cc1C[NH+]1CCC(CC1)C[*:1]
CCOCC1CC[NH+](Cc2cn(C)nc2C(C)C)CC1 CC(C)[*:1] CCOCC1CC[NH+](CC1)Cc1cn(C)nc1[*:1]
CCOCC1CC[NH+](Cc2cn(C)nc2C(C)C)CC1 CCOC[*:1] CC(C)c1nn(C)cc1C[NH+]1CCC(CC1)[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)N(C)C[C@@H]1CCCO1 CN(C)C(=O)C[*:1] CN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)N(C)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)N(C)C[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)N(C)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)N(C)[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)N(C)C[C@@H]1CCCO1 CN(C)C(=O)[*:1] CN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1C[*:1]
O=C(C[NH+]1CCC(c2c[nH]c3ccccc23)CC1)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(C[NH+]1CCC(CC1)c1c[nH]c2ccccc12)N[*:1]
O=C(C[NH+]1CCC(c2c[nH]c3ccccc23)CC1)Nc1cc(Cl)ccc1Cl c1ccc2c(c[nH]c2c1)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1cc(Cl)ccc1Cl
CCn1c(CCNC(=O)/C=C(/C)C(C)(C)C)nc2ccccc21 CC(=C[*:1])C(C)(C)C CCn1c(CCNC(=O)[*:1])nc2ccccc21
CCn1c(CCNC(=O)/C=C(/C)C(C)(C)C)nc2ccccc21 CC(C)(C)[*:1] CCn1c(CCNC(=O)C=C(C)[*:1])nc2ccccc21
Cc1nc(CNC(=O)c2cc(Cn3c(C)nc4ccccc43)on2)cs1 Cc1nc(cs1)[*:1] Cc1nc2ccccc2n1Cc1cc(no1)C(=O)NC[*:1]
Cc1nc(CNC(=O)c2cc(Cn3c(C)nc4ccccc43)on2)cs1 Cc1nc(cs1)C[*:1] Cc1nc2ccccc2n1Cc1cc(no1)C(=O)N[*:1]
NC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O NC(=O)[*:1] O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1sccc1[*:1]
NC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O NC(=O)c1ccsc1[*:1] O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N[*:1]
O=C(c1ncoc1-c1ccco1)N1CCOc2ccccc21 c1coc(c1)[*:1] O=C(c1ncoc1[*:1])N1CCOc2ccccc21
Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1noc(C)c1CCC(=O)N1CCC[C@H]1[*:1]
Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1cccc(F)c1 Cc1noc(C)c1[*:1] O=C(CC[*:1])N1CCC[C@@H]1c1cccc(F)c1
C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)C=C[*:1])c1ccc2OCCOc2c1
C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1)[*:1]
C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc2c(c1)OCCO2 C(=C[*:1])c1ccccc1 C[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccc2OCCOc2c1
C[C@@H]1CN(CCCNC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@@H](C)O1 O=C1CCCN1[*:1] C[C@@H]1CN(CCCNC(=O)Nc2cccc(c2)[*:1])C[C@@H](C)O1
CC[NH2+][C@@H](C)c1ccnc(Sc2n[nH]c(=O)n2C(C)C)c1 CC(C)[*:1] CC[NH2+][C@@H](C)c1ccnc(c1)Sc1n[nH]c(=O)n1[*:1]
COc1ccc([C@H]2CCCCCN2C(=O)CCn2c(=O)oc3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C(CCn1c(=O)oc2ccccc21)N1CCCCC[C@@H]1[*:1]
C[C@@](O)(CNC(=O)c1ccco1)c1ccco1 c1coc(c1)[*:1] C[C@@](O)(CNC(=O)c1ccco1)[*:1]
C[C@@](O)(CNC(=O)c1ccco1)c1ccco1 c1coc(c1)[*:1] C[C@@](O)(CNC(=O)[*:1])c1ccco1
Cc1nn(C)c(NCCCc2cn[nH]c2C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)c(NCCCc2cn[nH]c2C)c1[*:1]
Cc1nn(C)c(NCCCc2cn[nH]c2C)c1[N+](=O)[O-] Cc1[nH]ncc1[*:1] Cc1nn(C)c(NCCC[*:1])c1[N+](=O)[O-]
CCCc1n[nH]c(C(=O)Nc2ccc(Br)cc2C(=O)[O-])n1 O=C([O-])[*:1] CCCc1n[nH]c(n1)C(=O)Nc1ccc(Br)cc1[*:1]
CCCc1n[nH]c(C(=O)Nc2ccc(Br)cc2C(=O)[O-])n1 CCC[*:1] O=C(Nc1ccc(Br)cc1C(=O)[O-])c1nc(n[nH]1)[*:1]
COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(C)cc1)c1cccs1 COC(=O)C[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@H](c1cccs1)[*:1]
COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(C)cc1)c1cccs1 c1csc(c1)[*:1] COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(C)cc1)[*:1]
COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(C)cc1)c1cccs1 Cc1ccc(cc1)[*:1] COC(=O)C[C@H](NC(=O)C(=O)N[*:1])c1cccs1
COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(C)cc1)c1cccs1 COC(=O)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@@H](C[*:1])c1cccs1
O=C(Nc1c(F)cccc1F)N1CCN(c2nc3c(F)cccc3s2)CC1 Fc1cccc(F)c1[*:1] O=C(N[*:1])N1CCN(CC1)c1nc2c(F)cccc2s1
CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc(C)cn1 Cc1cnc(cn1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)[*:1]
Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc4nc(C5CCC5)[nH]c4c3)[nH]c(=O)c2c1C C1CC(C1)[*:1] Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc4nc([nH]c4c3)[*:1])[nH]c(=O)c2c1C
C[C@@H](O)c1ccccc1N[C@H]1CC[NH2+]C1 C[C@@H](O)[*:1] c1ccc(c(c1)N[C@H]1CC[NH2+]C1)[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2F)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1F)N1CCC[C@@H]1[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2F)cc1 Fc1c(Cl)cccc1[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)N[*:1]
CS[C@H]1CC[C@@H](NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 Clc1ccc(cc1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)Cc1coc(n1)[*:1]
CN(CC(C)(C)O)C(=O)c1cncc(Br)c1 CC(C)(O)[*:1] CN(C[*:1])C(=O)c1cncc(Br)c1
CN(CC(C)(C)O)C(=O)c1cncc(Br)c1 CC(C)(O)C[*:1] CN(C(=O)c1cncc(Br)c1)[*:1]
Cc1cccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)OCCCC(=O)Nc1ccc(cc1C)[*:1]
Cc1cccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 Cc1cccc(c1)O[*:1] Cc1cc(ccc1NC(=O)CCC[*:1])[N+](=O)[O-]
Cc1cccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 Cc1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)CCCO[*:1])[N+](=O)[O-]
CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C(C)C)on1 CC(C)[*:1] CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(on1)[*:1]
CN(C)c1cccc(C(=O)N2CCC([C@@H]3N=NC=C3CCc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CN(C)c1cccc(c1)C(=O)N1CCC(CC1)[C@@H]1N=NC=C1CC[*:1]
CN(C)c1cccc(C(=O)N2CCC([C@@H]3N=NC=C3CCc3ccccc3)CC2)c1 CN(C)c1cccc(c1)[*:1] O=C(N1CCC(CC1)[C@@H]1N=NC=C1CCc1ccccc1)[*:1]
CN(C)c1cccc(C(=O)N2CCC([C@@H]3N=NC=C3CCc3ccccc3)CC2)c1 CN(C)[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)[C@@H]1N=NC=C1CCc1ccccc1
CN(C)c1cccc(C(=O)N2CCC([C@@H]3N=NC=C3CCc3ccccc3)CC2)c1 c1ccc(cc1)CC[*:1] CN(C)c1cccc(c1)C(=O)N1CCC(CC1)[C@@H]1N=NC=C1[*:1]
CN(C)c1cccc(C(=O)N2CCC([C@@H]3N=NC=C3CCc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] CN(C)c1cccc(c1)C(=O)N1CCC(CC1)[C@@H]1N=NC=C1C[*:1]
CC[C@H]1CC[C@@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 c1cncc(c1)[*:1] CC[C@H]1CC[C@H](C1)[NH+]1CCN(CC1)C[*:1]
O=C(NC1(c2ccc(Br)cc2)CCC1)C1CCC1 C1CC(C1)[*:1] O=C(NC1(CCC1)c1ccc(Br)cc1)[*:1]
CC[C@@](C)(NC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)[C@@H]1CCS(=O)(=O)C1)[*:1]
O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2[NH+]=c3ccc(F)cc3=C2C1 Fc1ccc(cc1)[*:1] O=S(=O)(N1CC[C@@H]2[NH+]=c3ccc(F)cc3=C2C1)[*:1]
CCC(=O)CN1C(=O)c2ccccc2C1=O CCC(=O)C[*:1] O=C1c2ccccc2C(=O)N1[*:1]
CCC(=O)CN1C(=O)c2ccccc2C1=O CCC(=O)[*:1] O=C1c2ccccc2C(=O)N1C[*:1]
Cc1nnc([C@H]2Cc3ccccc3CN2[C@@H]2CCC[C@H](C)C2)o1 Cc1nnc(o1)[*:1] C[C@H]1CCC[C@H](C1)N1Cc2ccccc2C[C@@H]1[*:1]
C[NH2+]C[C@H](Cc1ccc(OC)c(F)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH2+]C[C@H](Cc1ccc(OC)c(F)c1)[*:1]
Cc1nc(C)c(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)s1 Cc1nc(C)c(C[*:1])s1 O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N[*:1]
Cc1nc(C)c(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1nc(C)c(CNC(=O)CCNS(=O)(=O)[*:1])s1
Cc1nc(C)c(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)s1 Cc1nc(C)c(s1)[*:1] O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NC[*:1]
CCOc1ccc(NC(=O)Cn2ccccc2=O)cc1S(=O)(=O)N(C)C CCO[*:1] CN(C)S(=O)(=O)c1cc(ccc1[*:1])NC(=O)Cn1ccccc1=O
CCOc1ccc(NC(=O)Cn2ccccc2=O)cc1S(=O)(=O)N(C)C O=c1ccccn1C[*:1] CCOc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)[*:1]
CCOc1ccc(NC(=O)Cn2ccccc2=O)cc1S(=O)(=O)N(C)C O=c1ccccn1[*:1] CCOc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)C[*:1]
CCOc1ccc(NC(=O)Cn2ccccc2=O)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] CCOc1ccc(cc1[*:1])NC(=O)Cn1ccccc1=O
C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)COCc2ccccc2Cl)C1=O c1coc(c1)[*:1] C[C@@]1(NC(=O)N(C[C@H](O)COCc2ccccc2Cl)C1=O)[*:1]
C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)COCc2ccccc2Cl)C1=O Clc1ccccc1[*:1] C[C@@]1(NC(=O)N(C[C@H](O)COC[*:1])C1=O)c1ccco1
C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)COCc2ccccc2Cl)C1=O Clc1ccccc1C[*:1] C[C@@]1(NC(=O)N(C[C@H](O)CO[*:1])C1=O)c1ccco1
[NH3+]C[C@@H](C1CC1)[NH+]1CC2(CCCCC2)C1 C1CC1[*:1] [NH3+]C[C@@H]([NH+]1CC2(CCCCC2)C1)[*:1]
CCCn1c[nH+]cc1[C@H]1CC[NH2+]C[C@@H]1CC(C)C CC(C)C[*:1] CCCn1c[nH+]cc1[C@H]1CC[NH2+]C[C@H]1[*:1]
CCCn1c[nH+]cc1[C@H]1CC[NH2+]C[C@@H]1CC(C)C CCC[*:1] CC(C)C[C@H]1C[NH2+]CC[C@@H]1c1c[nH+]cn1[*:1]
CCCn1c[nH+]cc1[C@H]1CC[NH2+]C[C@@H]1CC(C)C CC(C)[*:1] CCCn1c[nH+]cc1[C@H]1CC[NH2+]C[C@@H]1C[*:1]
N[C@@H](C[NH3+])c1cccc(OCC(=O)[O-])c1 O=C([O-])C[*:1] N[C@@H](C[NH3+])c1cccc(c1)O[*:1]
N[C@@H](C[NH3+])c1cccc(OCC(=O)[O-])c1 O=C([O-])[*:1] N[C@@H](C[NH3+])c1cccc(c1)OC[*:1]
N[C@@H](C[NH3+])c1cccc(OCC(=O)[O-])c1 O=C([O-])CO[*:1] N[C@@H](C[NH3+])c1cccc(c1)[*:1]
C[NH2+][C@H](CCC(C)C)[C@@H]1CCc2cccnc21 CC(C)CC[*:1] C[NH2+][C@H]([C@@H]1CCc2cccnc21)[*:1]
C[NH2+][C@H](CCC(C)C)[C@@H]1CCc2cccnc21 CC(C)C[*:1] C[NH2+][C@H](C[*:1])[C@@H]1CCc2cccnc21
C[NH2+][C@H](CCC(C)C)[C@@H]1CCc2cccnc21 CC(C)[*:1] C[NH2+][C@H](CC[*:1])[C@@H]1CCc2cccnc21
OCCCC[NH+](Cc1c[nH]cn1)C1CC1 c1nc(c[nH]1)[*:1] OCCCC[NH+](C[*:1])C1CC1
OCCCC[NH+](Cc1c[nH]cn1)C1CC1 OCCC[*:1] c1nc(c[nH]1)C[NH+](C[*:1])C1CC1
OCCCC[NH+](Cc1c[nH]cn1)C1CC1 OCC[*:1] c1nc(c[nH]1)C[NH+](CC[*:1])C1CC1
OCCCC[NH+](Cc1c[nH]cn1)C1CC1 C1CC1[*:1] OCCCC[NH+](Cc1c[nH]cn1)[*:1]
OCCCC[NH+](Cc1c[nH]cn1)C1CC1 OCCCC[*:1] c1nc(c[nH]1)C[NH+](C1CC1)[*:1]
CC(C)[C@H](CC(=O)N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 CC(C)[*:1] O=C(C[C@H](c1ccccc1)[*:1])N1CCC(O)(CC1)C(F)(F)F
CC(C)[C@H](CC(=O)N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 FC(F)(F)[*:1] CC(C)[C@H](CC(=O)N1CCC(O)(CC1)[*:1])c1ccccc1
CC(C)[C@H](CC(=O)N1CCC(O)(C(F)(F)F)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](CC(=O)N1CCC(O)(CC1)C(F)(F)F)[*:1]
CCc1nn(C)cc1CNC(=O)NNC(=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCc1nn(C)cc1CNC(=O)NNC(=O)[*:1]
COCCN1CCC[C@@](O)(CNCc2nc3ccccc3s2)C1=O COC[*:1] O=C1N(CCC[C@@]1(O)CNCc1nc2ccccc2s1)C[*:1]
COCCN1CCC[C@@](O)(CNCc2nc3ccccc3s2)C1=O COCC[*:1] O=C1N(CCC[C@@]1(O)CNCc1nc2ccccc2s1)[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)C1 COC(=O)[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CC[C@](F)(C1)[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)C1 Clc1ccccc1[*:1] COC(=O)[C@@]1(F)CCN(C1)C(=O)[C@@H]1C[C@H]1[*:1]
Cc1nnc(CSCc2ccc3ccccc3c2)n1C1CC1 C1CC1[*:1] Cc1nnc(CSCc2ccc3ccccc3c2)n1[*:1]
O=C(NCCc1ccccc1)N1CCN(C[C@H](O)C2CC2)CC1 C1CC1[*:1] O=C(NCCc1ccccc1)N1CCN(CC1)C[C@H](O)[*:1]
O=C(NCCc1ccccc1)N1CCN(C[C@H](O)C2CC2)CC1 O[C@@H](C[*:1])C1CC1 O=C(NCCc1ccccc1)N1CCN(CC1)[*:1]
O=C(NCCc1ccccc1)N1CCN(C[C@H](O)C2CC2)CC1 c1ccc(cc1)[*:1] O=C(NCC[*:1])N1CCN(CC1)C[C@H](O)C1CC1
O=C(NCCc1ccccc1)N1CCN(C[C@H](O)C2CC2)CC1 c1ccc(cc1)C[*:1] O=C(NC[*:1])N1CCN(CC1)C[C@H](O)C1CC1
COc1ccc(OCC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)cc1 COc1ccc(cc1)O[*:1] Cc1cc(on1)-c1c[nH]nc1[C@H]1CCCCN1C(=O)C[*:1]
COc1ccc(OCC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)cc1 Cc1cc(on1)[*:1] COc1ccc(cc1)OCC(=O)N1CCCC[C@@H]1c1n[nH]cc1[*:1]
COc1ccc(OCC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)cc1 COc1ccc(cc1)[*:1] Cc1cc(on1)-c1c[nH]nc1[C@H]1CCCCN1C(=O)CO[*:1]
NS(=O)(=O)c1ccc(C(=O)NCC#Cc2ccccc2)o1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(o1)C(=O)NCC#C[*:1]
NS(=O)(=O)c1ccc(C(=O)NCC#Cc2ccccc2)o1 NS(=O)(=O)[*:1] O=C(NCC#Cc1ccccc1)c1ccc(o1)[*:1]
COC(=O)c1cc(CNC(=O)c2cncc(Br)c2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)c1cncc(Br)c1
COC(=O)c1cc(CNC(=O)c2cncc(Br)c2)oc1C Brc1cncc(c1)[*:1] COC(=O)c1cc(CNC(=O)[*:1])oc1C
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl CC(C)(C)[*:1] Cc1nn(cc1[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl)[*:1]
C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](NC(=O)N1CC[C@H](C1)[NH+]1CCCC1)c1ccc(cc1)[*:1]
CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CN(CC)CCO1 CCC[*:1] CCN1CCO[C@H](C1)[C@@H]([NH2+][*:1])c1ccc(Cl)c(Cl)c1
Cc1ccc(-n2ncc3c(NCCc4ccc(S(N)(=O)=O)cc4)ncnc32)cc1Cl NS(=O)(=O)[*:1] Cc1ccc(cc1Cl)-n1ncc2c(ncnc21)NCCc1ccc(cc1)[*:1]
Cc1ccc(-n2ncc3c(NCCc4ccc(S(N)(=O)=O)cc4)ncnc32)cc1Cl Cc1ccc(cc1Cl)[*:1] NS(=O)(=O)c1ccc(cc1)CCNc1ncnc2c1cnn2[*:1]
Cc1ccc(-n2ncc3c(NCCc4ccc(S(N)(=O)=O)cc4)ncnc32)cc1Cl NS(=O)(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)-n1ncc2c(ncnc21)NCC[*:1]
N/C(CN1CCN(c2ccccc2)CC1)=N\OCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] N/C(CN1CCN(CC1)c1ccccc1)=N\OCc1ccc(cc1)[*:1]
N/C(CN1CCN(c2ccccc2)CC1)=N\OCc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] N/C(CN1CCN(CC1)[*:1])=N\OCc1ccc(cc1)[N+](=O)[O-]
N/C(CN1CCN(c2ccccc2)CC1)=N\OCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] N/C(CN1CCN(CC1)c1ccccc1)=N\OC[*:1]
Cc1nc(-c2ccc(OC(=O)c3ccc4nccn4c3)cc2)no1 Cc1nc(no1)[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccc2nccn2c1
O=C(CCNC(=O)C1CCCCC1)Nc1cc(-c2ccccc2)ns1 C1CCC(CC1)[*:1] O=C(CCNC(=O)[*:1])Nc1cc(ns1)-c1ccccc1
O=C(CCNC(=O)C1CCCCC1)Nc1cc(-c2ccccc2)ns1 c1ccc(cc1)[*:1] O=C(CCNC(=O)C1CCCCC1)Nc1cc(ns1)[*:1]
CCCC(CCC)S(=O)(=O)Cc1nc2ccccc2s1 CCC[*:1] CCCC(S(=O)(=O)Cc1nc2ccccc2s1)[*:1]
O=C(NCC1CC1)[C@@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3[nH+]2)C1 C1CC1[*:1] O=C(NC[*:1])[C@@H]1CCCN(Cc2cc(=O)n3c(csc3[nH+]2)-c2ccccc2)C1
O=C(NCC1CC1)[C@@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3[nH+]2)C1 O=C(NCC1CC1)[*:1] O=c1cc(CN2CCC[C@H](C2)[*:1])[nH+]c2scc(-c3ccccc3)n12
O=C(NCC1CC1)[C@@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3[nH+]2)C1 C1CC1C[*:1] O=C(N[*:1])[C@@H]1CCCN(Cc2cc(=O)n3c(csc3[nH+]2)-c2ccccc2)C1
O=C(NCC1CC1)[C@@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3[nH+]2)C1 c1ccc(cc1)[*:1] O=C(NCC1CC1)[C@@H]1CCCN(Cc2cc(=O)n3c(csc3[nH+]2)[*:1])C1
Cc1ccc(-c2nc(CNC(=O)NCc3sccc3C)co2)cc1 Cc1ccsc1C[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)N[*:1]
Cc1ccc(-c2nc(CNC(=O)NCc3sccc3C)co2)cc1 Cc1ccc(cc1)[*:1] Cc1ccsc1CNC(=O)NCc1coc(n1)[*:1]
Cc1ccc(-c2nc(CNC(=O)NCc3sccc3C)co2)cc1 Cc1ccsc1[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)NC[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)NCC(=O)NCc1ccco1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)NCC(=O)NCc1ccco1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)NCC(=O)NCc1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)NCC(=O)NC[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)NCC(=O)NCc1ccco1 c1coc(c1)C[*:1] Cc1ccc(cc1NC(=O)NCC(=O)N[*:1])-c1ncco1
O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)Nc1ccc(F)cc1 FC(F)(F)[*:1] O=C(CNS(=O)(=O)c1cc(ccc1Cl)[*:1])Nc1ccc(F)cc1
O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNS(=O)(=O)c1cc(ccc1Cl)C(F)(F)F)N[*:1]
Cc1ccc(NC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])c1cn(nn1)-c1ccc(cn1)C(F)(F)F
Cc1ccc(NC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)nc1 FC(F)(F)[*:1] Cc1ccc(nc1)NC(=O)c1cn(nn1)-c1ccc(cn1)[*:1]
Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)CNc1nc(nn1C(=O)[*:1])-c1cccnc1
Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2C)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)CNc1nc(nn1C(=O)c1ccccc1C)[*:1]
Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1C(=O)n1nc(nc1NC[*:1])-c1cccnc1
Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2C)cc1 Cc1ccc(cc1)CN[*:1] Cc1ccccc1C(=O)n1nc(nc1[*:1])-c1cccnc1
Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1ccccc1C(=O)n1nc(nc1N[*:1])-c1cccnc1
C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(F)cc3)c[nH+]2)CCO1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)C(=O)N[*:1]
C#Cc1cc(F)c(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 FC(F)(F)[*:1] C#Cc1cc(F)c(NC(=O)N[C@@H]2CCC[C@H](C2)[*:1])c(F)c1
C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)o1 Fc1ccccc1[*:1] C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@H](C)Sc1nnc(o1)[*:1]
COc1ccc(C(=O)C2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(CC1)C(=O)[*:1]
COc1ccc(C(=O)C2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)CC2)cc1 O=C(N[*:1])c1ccccc1 COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)[C@H](C)[*:1]
COc1ccc(C(=O)C2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)[C@H](C)NC(=O)[*:1]
C/C=C/C=N/N=C(/N)c1ccccc1 CC=C[*:1] N/C(=N/N=C[*:1])c1ccccc1
N#C[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#C[C@@H]1CCCCN1Cc1cc(Cl)ccc1[*:1]
c1ccc(-c2ccccc2[C@H]2CCCC[NH2+]2)cc1 c1ccc(cc1)[*:1] c1ccc(c(c1)[C@H]1CCCC[NH2+]1)[*:1]
CCn1nnnc1-c1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 CCn1nnnc1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1cccc(c1)[*:1]
O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1c(F)cccc1F c1ccc(nc1)-c1noc(n1)[*:1] O=C(Cn1c(=O)cc(c2ccccc21)[*:1])Nc1c(F)cccc1F
O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1c(F)cccc1F c1ccc(nc1)[*:1] O=C(Cn1c(=O)cc(-c2nc(no2)[*:1])c2ccccc21)Nc1c(F)cccc1F
O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1c(F)cccc1F O=C(Nc1c(F)cccc1F)[*:1] O=c1cc(-c2nc(no2)-c2ccccn2)c2ccccc2n1C[*:1]
O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(Cn1c(=O)cc(-c2nc(no2)-c2ccccn2)c2ccccc21)N[*:1]
Cc1cnc(NC(=O)c2ccc(-c3cccs3)nc2C)s1 c1csc(c1)[*:1] Cc1cnc(NC(=O)c2ccc(nc2C)[*:1])s1
Cc1cnc(NC(=O)c2ccc(-c3cccs3)nc2C)s1 Cc1cnc(s1)[*:1] Cc1nc(ccc1C(=O)N[*:1])-c1cccs1
COc1ccc(Cl)c(S(=O)(=O)/N=C(\[O-])c2cc(C)sc2C)c1 Cc1cc(c(C)s1)[*:1] COc1ccc(Cl)c(c1)S(=O)(=O)/N=C(\[O-])[*:1]
CN(c1ccc(Br)cn1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(c1ccc(Br)cn1)S(=O)(=O)[*:1]
CC(C)[C@@H](SCC(=O)C(C)(C)C)C(=O)Nc1ccc(C#N)cc1 CC(C)(C)C(=O)[*:1] CC(C)[C@@H](SC[*:1])C(=O)Nc1ccc(C#N)cc1
CC(C)[C@@H](SCC(=O)C(C)(C)C)C(=O)Nc1ccc(C#N)cc1 CC(C)(C)C(=O)C[*:1] CC(C)[C@@H](S[*:1])C(=O)Nc1ccc(C#N)cc1
CC(C)[C@@H](SCC(=O)C(C)(C)C)C(=O)Nc1ccc(C#N)cc1 CC(C)[*:1] CC(C)(C)C(=O)CS[C@@H](C(=O)Nc1ccc(C#N)cc1)[*:1]
CC(C)[C@@H](SCC(=O)C(C)(C)C)C(=O)Nc1ccc(C#N)cc1 CC(C)(C)[*:1] CC(C)[C@@H](SCC(=O)[*:1])C(=O)Nc1ccc(C#N)cc1
CC[C@@H](c1ncc([N+](=O)[O-])cc1Br)[C@@H](C)[NH2+]C O=[N+]([O-])[*:1] CC[C@@H](c1ncc(cc1Br)[*:1])[C@@H](C)[NH2+]C
Cc1n[nH]c2cc(NC(=O)CNC(=O)OCC(F)(F)F)ccc12 FC(F)(F)C[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)CNC(=O)O[*:1]
Cc1n[nH]c2cc(NC(=O)CNC(=O)OCC(F)(F)F)ccc12 FC(F)(F)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)CNC(=O)OC[*:1]
Cc1cccc(OCCC(=O)Nc2cccnc2)c1C c1cncc(c1)[*:1] Cc1cccc(OCCC(=O)N[*:1])c1C
Cc1noc(C)c1Cc1nn2c(-c3cnn(C)c3)nnc2s1 Cc1noc(C)c1[*:1] Cn1cc(cn1)-c1nnc2sc(C[*:1])nn12
Cc1noc(C)c1Cc1nn2c(-c3cnn(C)c3)nnc2s1 Cn1cc(cn1)[*:1] Cc1noc(C)c1Cc1nn2c(nnc2s1)[*:1]
CCc1nn(C)cc1NC(=O)[C@H]1C[C@@H]1C(=O)OC COC(=O)[*:1] CCc1nn(C)cc1NC(=O)[C@H]1C[C@H]1[*:1]
Cc1cc(C)n(-c2cccc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)c2)n1 Cc1cc(C)n(n1)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@@]2(CC[NH2+]C2)C1
C[C@@H]1C[C@@H](N2CCN(C[C@H](O)C(C)(C)C)CC2)C(=O)O1 CC(C)(C)[*:1] C[C@@H]1C[C@H](C(=O)O1)N1CCN(CC1)C[C@H](O)[*:1]
C[C@@H]1C[C@@H](N2CCN(C[C@H](O)C(C)(C)C)CC2)C(=O)O1 CC(C)(C)[C@@H](O)[*:1] C[C@@H]1C[C@H](C(=O)O1)N1CCN(CC1)C[*:1]
CCOC(=O)C1CCN(c2ncnc(Nc3ccccn3)c2[N+](=O)[O-])CC1 c1ccc(nc1)[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(N[*:1])c1[N+](=O)[O-]
CCOC(=O)C1CCN(c2ncnc(Nc3ccccn3)c2[N+](=O)[O-])CC1 c1ccc(nc1)N[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(c1[N+](=O)[O-])[*:1]
CCOC(=O)C1CCN(c2ncnc(Nc3ccccn3)c2[N+](=O)[O-])CC1 CCOC(=O)[*:1] O=[N+]([O-])c1c(ncnc1N1CCC(CC1)[*:1])Nc1ccccn1
CCOC(=O)C1CCN(c2ncnc(Nc3ccccn3)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(Nc2ccccn2)c1[*:1]
Cc1cc(C)cc(Oc2ccc(N[C@H](C)C(=O)NC(N)=O)cc2)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H](Nc1ccc(cc1)O[*:1])C(=O)NC(N)=O
Cc1cc(C)cc(Oc2ccc(N[C@H](C)C(=O)NC(N)=O)cc2)c1 NC(=O)NC(=O)[*:1] Cc1cc(C)cc(c1)Oc1ccc(cc1)N[C@H](C)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccsc2)cc1 CC(=O)N[*:1] C[C@@H](OC(=O)Cc1ccsc1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccsc2)cc1 c1cc(cs1)C[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@@H](C)OC(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccsc2)cc1 c1cc(cs1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@@H](C)OC(=O)C[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1 Cc1cccc(c1)O[*:1] C[C@@H](C(=O)Nc1cccc(c1)C(=O)NCc1ccco1)[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1 O=C(NCc1ccco1)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1 Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1cccc(c1)C(=O)NCc1ccco1
Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1 c1coc(c1)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)Nc1cccc(c1)C(=O)NC[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1 c1coc(c1)C[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CCOc1cc(C(=O)[O-])cc(I)c1OCC CCO[*:1] CCOc1cc(cc(I)c1[*:1])C(=O)[O-]
CCOc1cc(C(=O)[O-])cc(I)c1OCC O=C([O-])[*:1] CCOc1cc(cc(I)c1OCC)[*:1]
CCOc1cc(C(=O)[O-])cc(I)c1OCC CCO[*:1] CCOc1c(I)cc(cc1[*:1])C(=O)[O-]
Cn1nccc1CNC(=O)N1CCN(C(=O)c2cccs2)CC1 Cn1nccc1[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)c1cccs1
Cn1nccc1CNC(=O)N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cn1nccc1CNC(=O)N1CCN(CC1)C(=O)[*:1]
Cn1nccc1CNC(=O)N1CCN(C(=O)c2cccs2)CC1 Cn1nccc1C[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1cccs1
O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)N1CCC[C@H](O)C1 O=C([O-])[*:1] O=C(N1CCC[C@H](O)C1)N1Cc2[nH+]c[nH]c2C[C@@H]1[*:1]
CC(=O)N[C@@H](c1ccccn1)C1CCN(C(=O)CCc2ccccc2)CC1 c1ccc(nc1)[*:1] CC(=O)N[C@@H](C1CCN(CC1)C(=O)CCc1ccccc1)[*:1]
CC(=O)N[C@@H](c1ccccn1)C1CCN(C(=O)CCc2ccccc2)CC1 CC(=O)N[*:1] O=C(CCc1ccccc1)N1CCC(CC1)[C@H](c1ccccn1)[*:1]
CC(=O)N[C@@H](c1ccccn1)C1CCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](c1ccccn1)C1CCN(CC1)C(=O)CC[*:1]
CC(=O)N[C@@H](c1ccccn1)C1CCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(=O)N[C@@H](c1ccccn1)C1CCN(CC1)C(=O)C[*:1]
CC(=O)N[C@@H](c1ccccn1)C1CCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CC(=O)N[C@@H](c1ccccn1)C1CCN(CC1)C(=O)[*:1]
CCNS(=O)(=O)c1ccc(/C=C/C(=O)N(CC)C2CCCC2)cc1 C1CCC(C1)[*:1] CCNS(=O)(=O)c1ccc(/C=C/C(=O)N(CC)[*:1])cc1
CCNS(=O)(=O)c1ccc(/C=C/C(=O)N(CC)C2CCCC2)cc1 CCNS(=O)(=O)[*:1] CCN(C(=O)/C=C/c1ccc(cc1)[*:1])C1CCCC1
O[C@H]([C@H]1CCc2cccnc21)C1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O[C@H]([C@H]1CCc2cccnc21)C1(CCC1)[*:1]
Cn1c(SCc2ccccc2)nc(C(F)(F)F)cc1=O FC(F)(F)[*:1] Cn1c(nc(cc1=O)[*:1])SCc1ccccc1
Cn1c(SCc2ccccc2)nc(C(F)(F)F)cc1=O c1ccc(cc1)[*:1] Cn1c(nc(cc1=O)C(F)(F)F)SC[*:1]
FC(F)(F)c1cc(Cl)nc(N2CCCCC2)c1 FC(F)(F)[*:1] Clc1cc(cc(n1)N1CCCCC1)[*:1]
O=C1/C(=N\c2ccccc2F)c2ccccc2N1CN1CCc2ccccc2C1 Fc1ccccc1[*:1] O=C1C(=N[*:1])c2ccccc2N1CN1CCc2ccccc2C1
C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)[*:1]
COC[C@](C)(NC(=O)c1ccc([S@@](=O)C(C)C)cc1)c1ccccc1 CC(C)[S@](=O)[*:1] COC[C@](C)(NC(=O)c1ccc(cc1)[*:1])c1ccccc1
COC[C@](C)(NC(=O)c1ccc([S@@](=O)C(C)C)cc1)c1ccccc1 COC[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)N[C@@](C)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)c1ccc([S@@](=O)C(C)C)cc1)c1ccccc1 CC(C)[*:1] COC[C@](C)(NC(=O)c1ccc(cc1)[S@@](=O)[*:1])c1ccccc1
COC[C@](C)(NC(=O)c1ccc([S@@](=O)C(C)C)cc1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)c1ccc(cc1)[S@@](=O)C(C)C)[*:1]
COc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)c1 COc1cccc(c1)[*:1] O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)C(=O)N[*:1]
COc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)c1 c1csc(c1)[*:1] COc1cccc(c1)NC(=O)C(=O)NC[C@H](N1CCc2ccccc2C1)[*:1]
COc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)c1 c1ccc2CN(CCc2c1)[*:1] COc1cccc(c1)NC(=O)C(=O)NC[C@H](c1cccs1)[*:1]
COc1ccc(Nc2ncc3c(n2)CC[NH+](CC(C)C)C3)cc1 CC(C)[*:1] COc1ccc(cc1)Nc1ncc2C[NH+](CCc2n1)C[*:1]
COc1ccc(Nc2ncc3c(n2)CC[NH+](CC(C)C)C3)cc1 CC(C)C[*:1] COc1ccc(cc1)Nc1ncc2C[NH+](CCc2n1)[*:1]
CC[C@H](O)[C@H](C)Cc1nc(C)c(C)s1 CC[C@H](O)[*:1] Cc1nc(C[C@@H](C)[*:1])sc1C
O=C(NCCNc1ncccn1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(NCCNc1ncccn1)N[*:1]
O=C(NCCNc1ncccn1)NC[C@H]1CCCO1 c1cnc(nc1)[*:1] O=C(NCCN[*:1])NC[C@H]1CCCO1
O=C(NCCNc1ncccn1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NCCNc1ncccn1)NC[*:1]
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)c(F)c1 O=C([O-])[*:1] O=C(Nc1ccc(F)c(F)c1)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1[*:1]
CSCC(=O)NNC(=O)c1ccc(-c2ccc(C)cc2)cc1F CSC[*:1] Cc1ccc(cc1)-c1ccc(C(=O)NNC(=O)[*:1])c(F)c1
CSCC(=O)NNC(=O)c1ccc(-c2ccc(C)cc2)cc1F Cc1ccc(cc1)[*:1] CSCC(=O)NNC(=O)c1ccc(cc1F)[*:1]
CCOCC(=O)N(C)CCCNC(C)=O CC(=O)N[*:1] CCOCC(=O)N(C)CCC[*:1]
CCOCC(=O)N(C)CCCNC(C)=O CCO[*:1] CC(=O)NCCCN(C)C(=O)C[*:1]
CCOCC(=O)N(C)CCCNC(C)=O CCOC[*:1] CC(=O)NCCCN(C)C(=O)[*:1]
CCOCC(=O)N(C)CCCNC(C)=O CC(=O)NC[*:1] CCOCC(=O)N(C)CC[*:1]
CN(Cc1nccn1Cc1ccccc1)C(=O)CCC1CCCCC1 C1CCC(CC1)C[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)C[*:1]
CN(Cc1nccn1Cc1ccccc1)C(=O)CCC1CCCCC1 C1CCC(CC1)[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)CC[*:1]
CN(Cc1nccn1Cc1ccccc1)C(=O)CCC1CCCCC1 C1CCC(CC1)CC[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)[*:1]
CN(Cc1nccn1Cc1ccccc1)C(=O)CCC1CCCCC1 c1ccc(cc1)[*:1] CN(Cc1nccn1C[*:1])C(=O)CCC1CCCCC1
CN(Cc1nccn1Cc1ccccc1)C(=O)CCC1CCCCC1 c1ccc(cc1)C[*:1] CN(Cc1nccn1[*:1])C(=O)CCC1CCCCC1
CCc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)C(=O)NCc1ccc(Cl)cc1
CCc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] Clc1ccc(cc1)C[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)C(=O)N[*:1]
CCc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)C(=O)NC[*:1]
CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 CC(C)[*:1] C[C@@H]1CCC[C@@H](NC(=O)c2cc(ccc2Cl)S(=O)(=O)N[*:1])[C@@H]1C
CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 CC(C)NS(=O)(=O)[*:1] C[C@@H]1CCC[C@@H](NC(=O)c2cc(ccc2Cl)[*:1])[C@@H]1C
COCCCN(C)C(=O)N[C@@H]1CCc2c(Br)cccc21 COCCC[*:1] CN(C(=O)N[C@@H]1CCc2c(Br)cccc21)[*:1]
COCCCN(C)C(=O)N[C@@H]1CCc2c(Br)cccc21 COCC[*:1] CN(C[*:1])C(=O)N[C@@H]1CCc2c(Br)cccc21
COCCCN(C)C(=O)N[C@@H]1CCc2c(Br)cccc21 COC[*:1] CN(CC[*:1])C(=O)N[C@@H]1CCc2c(Br)cccc21
CCOc1cccc2cc(C(=O)Nc3nc4ccc(OC)cc4s3)oc12 CCO[*:1] COc1ccc2nc(NC(=O)c3cc4cccc(c4o3)[*:1])sc2c1
O=C(/C=C/c1ccco1)Nc1ccc2nc(N3CCOCC3)sc2c1 c1coc(c1)[*:1] O=C(C=C[*:1])Nc1ccc2nc(sc2c1)N1CCOCC1
O=C(/C=C/c1ccco1)Nc1ccc2nc(N3CCOCC3)sc2c1 C(=C[*:1])c1ccco1 O=C(Nc1ccc2nc(sc2c1)N1CCOCC1)[*:1]
O=C(/C=C/c1ccco1)Nc1ccc2nc(N3CCOCC3)sc2c1 C1CN(CCO1)[*:1] O=C(/C=C/c1ccco1)Nc1ccc2nc(sc2c1)[*:1]
CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 O=C(c1ccc(cc1)[N+](=O)[O-])[*:1] CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(C(=O)[C@@H]12)c1ccc(cc1)C(=O)OC[*:1]
CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 O=[N+]([O-])c1ccc(cc1)[*:1] CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(C(=O)[C@@H]12)c1ccc(cc1)C(=O)OCC(=O)[*:1]
CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 O=[N+]([O-])[*:1] CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(C(=O)[C@@H]12)c1ccc(cc1)C(=O)OCC(=O)c1ccc(cc1)[*:1]
CCCn1c([O-])c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(=O)c2ccccc21 CCC[*:1] O=C(NNC(=O)c1c([O-])n(c2ccccc2c1=O)[*:1])c1ccccc1[N+](=O)[O-]
CCCn1c([O-])c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(=O)c2ccccc21 O=[N+]([O-])c1ccccc1[*:1] CCCn1c([O-])c(C(=O)NNC(=O)[*:1])c(=O)c2ccccc21
CCCn1c([O-])c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])c(=O)c2ccccc21 O=[N+]([O-])[*:1] CCCn1c([O-])c(C(=O)NNC(=O)c2ccccc2[*:1])c(=O)c2ccccc21
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(CCO)C[*:1]
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(CCO)Cc1ccccc1 OCC[*:1] CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(Cc1ccccc1)[*:1]
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(CCO)Cc1ccccc1 c1ccc(cc1)C[*:1] CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(CCO)[*:1]
O=C(NC[C@@H](O)COc1ccc(F)cc1)NC[C@H]1Cc2ccccc2O1 Fc1ccc(cc1)O[*:1] O=C(NC[C@@H](O)C[*:1])NC[C@H]1Cc2ccccc2O1
O=C(NC[C@@H](O)COc1ccc(F)cc1)NC[C@H]1Cc2ccccc2O1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](O)CO[*:1])NC[C@H]1Cc2ccccc2O1
CC1=CC2=NC(=O)C[C@@](C)(C(=O)[O-])N2C=C1 O=C([O-])[*:1] CC1C=CN2C(C=1)=NC(=O)C[C@]2(C)[*:1]
O=C(NC[C@H]1CCCN(c2ncccn2)C1)N[C@H]1CCc2ccccc21 c1cnc(nc1)[*:1] O=C(NC[C@H]1CCCN(C1)[*:1])N[C@H]1CCc2ccccc21
O=C1Nc2ccc(-c3ccc4c(c3)OCO4)cc2C(=O)N2CCN(C(=O)CO)C[C@H]12 c1cc2OCOc2cc1[*:1] O=C1Nc2ccc(cc2C(=O)N2CCN(C[C@H]12)C(=O)CO)[*:1]
C[S@@](=O)c1ccc(CNC(=O)CNC(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)CNC(=O)[*:1]
C[S@@](=O)c1ccc(CNC(=O)CNC(=O)C(C)(C)C)cc1 CC(C)(C)C(=O)N[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)C[*:1]
C[S@@](=O)c1ccc(CNC(=O)CNC(=O)C(C)(C)C)cc1 C[S@@](=O)[*:1] CC(C)(C)C(=O)NCC(=O)NCc1ccc(cc1)[*:1]
O=C(Cc1ccccc1Cl)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 Clc1ccccc1[*:1] O=C(C[*:1])NC1CCN(CC1)c1ccc(cn1)C(F)(F)F
O=C(Cc1ccccc1Cl)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 Clc1ccccc1C[*:1] O=C(NC1CCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
O=C(Cc1ccccc1Cl)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C(Cc1ccccc1Cl)NC1CCN(CC1)c1ccc(cn1)[*:1]
COC(=O)c1ccc(Oc2ncnc(N3CCC[C@H](C)C3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(c1[*:1])N1CCC[C@H](C)C1
COC(=O)c1ccc(Oc2ncnc(N3CCC[C@H](C)C3)c2[N+](=O)[O-])cc1 COC(=O)[*:1] C[C@H]1CCCN(C1)c1ncnc(Oc2ccc(cc2)[*:1])c1[N+](=O)[O-]
O=S1(=O)CC[C@H](N2CCN(c3nc(-c4ccncc4)nc4c3CCC4)CC2)C1 c1cc(ccn1)[*:1] O=S1(=O)CC[C@@H](C1)N1CCN(CC1)c1nc(nc2CCCc21)[*:1]
COC(=O)c1cccc(C(=O)NC[C@H]2Cc3cc(-c4ccnc(SC)n4)cc(Cl)c3O2)c1 COC(=O)[*:1] CSc1nccc(n1)-c1cc(Cl)c2O[C@@H](CNC(=O)c3cccc(c3)[*:1])Cc2c1
COC(=O)c1cccc(C(=O)NC[C@H]2Cc3cc(-c4ccnc(SC)n4)cc(Cl)c3O2)c1 CSc1nccc(n1)[*:1] COC(=O)c1cccc(c1)C(=O)NC[C@H]1Cc2cc(cc(Cl)c2O1)[*:1]
COC(=O)c1cccc(C(=O)NC[C@H]2Cc3cc(-c4ccnc(SC)n4)cc(Cl)c3O2)c1 COC(=O)c1cccc(c1)[*:1] CSc1nccc(n1)-c1cc(Cl)c2O[C@@H](CNC(=O)[*:1])Cc2c1
CCc1cccc(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)c1 CC(C)[*:1] CCc1cccc(c1)NC(=O)[C@H](NC(=O)c1ccccc1)[*:1]
CCc1cccc(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)[C@H](NC(=O)[*:1])C(C)C
CCc1cccc(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)c1 CCc1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CCCCC(=O)Nc1cc2c(cc1N1CCC(C)CC1)n(C)c(=O)c(=O)n2C CCC[*:1] CC1CCN(CC1)c1cc2c(cc1NC(=O)C[*:1])n(C)c(=O)c(=O)n2C
CCCCC(=O)Nc1cc2c(cc1N1CCC(C)CC1)n(C)c(=O)c(=O)n2C CCCCC(=O)N[*:1] CC1CCN(CC1)c1cc2c(cc1[*:1])n(C)c(=O)c(=O)n2C
CCCCC(=O)Nc1cc2c(cc1N1CCC(C)CC1)n(C)c(=O)c(=O)n2C CC1CCN(CC1)[*:1] CCCCC(=O)Nc1cc2c(cc1[*:1])n(C)c(=O)c(=O)n2C
CCCCC(=O)Nc1cc2c(cc1N1CCC(C)CC1)n(C)c(=O)c(=O)n2C CCCC[*:1] CC1CCN(CC1)c1cc2c(cc1NC(=O)[*:1])n(C)c(=O)c(=O)n2C
O=C(CCCc1nc(-c2cnccn2)no1)c1ccc(Cl)cc1 c1cnc(cn1)[*:1] O=C(CCCc1nc(no1)[*:1])c1ccc(Cl)cc1
O=C(CCCc1nc(-c2cnccn2)no1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCCc1nc(no1)-c1cnccn1)[*:1]
Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C3)ccc21 Clc1cccc(c1)[*:1] Cn1ccc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C3)ccc21 Clc1cccc(c1)C[*:1] Cn1ccc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C3)ccc21 Cn1ccc2cc(ccc21)[*:1] O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COC(=O)c1sc(NC(=O)CCc2cccnc2)nc1C1CC1 c1cncc(c1)[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)CC[*:1]
COC(=O)c1sc(NC(=O)CCc2cccnc2)nc1C1CC1 COC(=O)[*:1] O=C(CCc1cccnc1)Nc1nc(c(s1)[*:1])C1CC1
COC(=O)c1sc(NC(=O)CCc2cccnc2)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)CCc1cccnc1
COC(=O)c1sc(NC(=O)CCc2cccnc2)nc1C1CC1 c1cncc(c1)C[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)C[*:1]
Cc1noc(C)c1COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1COC(=O)CN(C)S(=O)(=O)[*:1]
Cc1noc(C)c1COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 Cc1noc(C)c1C[*:1] CN(CC(=O)O[*:1])S(=O)(=O)c1ccc(Cl)cc1
Cc1noc(C)c1COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 Cc1noc(C)c1[*:1] CN(CC(=O)OC[*:1])S(=O)(=O)c1ccc(Cl)cc1
CSc1ccc(CNC(=O)C2CCN(c3c(NC(C)=O)c(C)nn3-c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)CNC(=O)C1CCN(CC1)c1c(NC(C)=O)c(C)nn1[*:1]
CSc1ccc(CNC(=O)C2CCN(c3c(NC(C)=O)c(C)nn3-c3ccccc3)CC2)cc1 CSc1ccc(cc1)C[*:1] CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(CC1)C(=O)N[*:1]
CSc1ccc(CNC(=O)C2CCN(c3c(NC(C)=O)c(C)nn3-c3ccccc3)CC2)cc1 CSc1ccc(cc1)[*:1] CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(CC1)C(=O)NC[*:1]
CSc1ccc(CNC(=O)C2CCN(c3c(NC(C)=O)c(C)nn3-c3ccccc3)CC2)cc1 CC(=O)N[*:1] CSc1ccc(cc1)CNC(=O)C1CCN(CC1)c1c(c(C)nn1-c1ccccc1)[*:1]
CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1cccc(Cl)c1 NC(=O)CS[*:1] CCn1c(nnc1[*:1])[C@H](C)Oc1cccc(Cl)c1
CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1cccc(Cl)c1 NC(=O)C[*:1] CCn1c(nnc1[C@H](C)Oc1cccc(Cl)c1)S[*:1]
CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1cccc(Cl)c1 NC(=O)[*:1] CCn1c(nnc1[C@H](C)Oc1cccc(Cl)c1)SC[*:1]
CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCn1c(nnc1[C@H](C)O[*:1])SCC(N)=O
c1ccc2c(c1)CCSC[C@H]2[NH2+]CCCOC[C@@H]1CCOC1 C1C[C@H](CO1)C[*:1] c1ccc2c(c1)CCSC[C@H]2[NH2+]CCCO[*:1]
c1ccc2c(c1)CCSC[C@H]2[NH2+]CCCOC[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] c1ccc2c(c1)CCSC[C@H]2[NH2+]CCCOC[*:1]
c1ccc2c(c1)CCSC[C@H]2[NH2+]CCCOC[C@@H]1CCOC1 C1C[C@H](CO1)CO[*:1] c1ccc2c(c1)CCSC[C@H]2[NH2+]CCC[*:1]
CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1 OCC[*:1] CSc1ccc(cc1)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1C[*:1]
CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1 CSc1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1CCCO)[*:1]
CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1 OCCC[*:1] CSc1ccc(cc1)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
Cc1noc(C)c1CC(=O)N1CCc2nc(NC(=O)c3ccccn3)sc2C1 Cc1noc(C)c1C[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])c1ccccn1
Cc1noc(C)c1CC(=O)N1CCc2nc(NC(=O)c3ccccn3)sc2C1 O=C(N[*:1])c1ccccn1 Cc1noc(C)c1CC(=O)N1CCc2nc(sc2C1)[*:1]
Cc1noc(C)c1CC(=O)N1CCc2nc(NC(=O)c3ccccn3)sc2C1 Cc1noc(C)c1[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)C[*:1])c1ccccn1
Cc1noc(C)c1CC(=O)N1CCc2nc(NC(=O)c3ccccn3)sc2C1 c1ccc(nc1)[*:1] Cc1noc(C)c1CC(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
Cc1cccc(NC(=O)[C@H]2CCCN(c3cc(-n4nc(C)cc4C)ncn3)C2)n1 Cc1cccc(n1)[*:1] Cc1cc(C)n(n1)-c1cc(ncn1)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(c3cc(-n4nc(C)cc4C)ncn3)C2)n1 Cc1cc(C)n(n1)[*:1] Cc1cccc(n1)NC(=O)[C@H]1CCCN(C1)c1cc(ncn1)[*:1]
C[C@@H](c1ccncn1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] C[C@@H](c1ccncn1)N(C)Cc1nc(no1)[*:1]
C[C@@H](c1ccncn1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 c1cc(ncn1)[*:1] C[C@@H](N(C)Cc1nc(no1)-c1ccc(Cl)cc1)[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCc1ccccc1 NC(=O)[*:1] O=C(CN1Cc2ccccc2C[C@H]1[*:1])NCc1ccccc1
NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NC[*:1]
CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCCc1cccs1 c1csc(c1)CC[*:1] CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)N[*:1]
CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCCc1cccs1 c1csc(c1)C[*:1] CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NC[*:1]
CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCCc1cccs1 O=C(NCCc1cccs1)[*:1] CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC[*:1]
CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCCc1cccs1 c1csc(c1)[*:1] CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCC[*:1]
CCOC(=O)[C@H](C)N(C)c1nc(C(C)C)ns1 CC(C)[*:1] CCOC(=O)[C@H](C)N(C)c1nc(ns1)[*:1]
CCOC(=O)[C@H](C)N(C)c1nc(C(C)C)ns1 CCOC(=O)[*:1] CC(C)c1nsc(n1)N(C)[C@@H](C)[*:1]
C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCCCO O=C(NCCCO)[*:1] C[C@@H](NC(=O)c1ccc2nc(sc2c1)-n1cccc1)[*:1]
C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCCCO OCCC[*:1] C[C@@H](NC(=O)c1ccc2nc(sc2c1)-n1cccc1)C(=O)N[*:1]
C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCCCO OCC[*:1] C[C@@H](NC(=O)c1ccc2nc(sc2c1)-n1cccc1)C(=O)NC[*:1]
C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCCCO c1ccn(c1)[*:1] C[C@@H](NC(=O)c1ccc2nc(sc2c1)[*:1])C(=O)NCCCO
O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
CC[C@H](O)[C@H]1CCCS(=O)(=O)C1 CC[C@H](O)[*:1] O=S1(=O)CCC[C@@H](C1)[*:1]
CN(CC(=O)N/N=C\c1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 Clc1ccccc1[*:1] CN(CC(=O)NN=C[*:1])S(=O)(=O)c1ccc2ccccc2c1
CC1(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)COC1 CC1(COC1)[*:1] O=C(NC[*:1])c1c(F)c(F)c(F)c(F)c1F
CC1(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)COC1 CC1(COC1)C[*:1] O=C(N[*:1])c1c(F)c(F)c(F)c(F)c1F
CN(CCc1cccs1)C(=O)NCC1(c2ccc(F)cc2F)CC1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)NCC1(CC1)c1ccc(F)cc1F
CN(CCc1cccs1)C(=O)NCC1(c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] CN(CCc1cccs1)C(=O)NCC1(CC1)[*:1]
CN(CCc1cccs1)C(=O)NCC1(c2ccc(F)cc2F)CC1 c1csc(c1)CC[*:1] CN(C(=O)NCC1(CC1)c1ccc(F)cc1F)[*:1]
CN(CCc1cccs1)C(=O)NCC1(c2ccc(F)cc2F)CC1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)NCC1(CC1)c1ccc(F)cc1F
Cc1ccc(C2=C[C@H]([C@H]3NN[C@H](SCC(=O)Nc4cccc(C(F)(F)F)c4)N3N)N=N2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C1=C[C@@H](N=N1)[C@H]1NN[C@H](SCC(=O)Nc2cccc(c2)[*:1])N1N
Cc1ccc(C2=C[C@H]([C@H]3NN[C@H](SCC(=O)Nc4cccc(C(F)(F)F)c4)N3N)N=N2)cc1 Cc1ccc(cc1)[*:1] NN1[C@H](NN[C@@H]1[C@H]1C=C(N=N1)[*:1])SCC(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(C2=C[C@H]([C@H]3NN[C@H](SCC(=O)Nc4cccc(C(F)(F)F)c4)N3N)N=N2)cc1 FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(cc1)C1=C[C@@H](N=N1)[C@H]1NN[C@H](SCC(=O)N[*:1])N1N
Cc1sc(NC(=O)c2ccn(COc3ccccc3F)n2)c(C(N)=O)c1C Fc1ccccc1O[*:1] Cc1sc(NC(=O)c2ccn(C[*:1])n2)c(C(N)=O)c1C
Cc1sc(NC(=O)c2ccn(COc3ccccc3F)n2)c(C(N)=O)c1C NC(=O)[*:1] Cc1sc(NC(=O)c2ccn(COc3ccccc3F)n2)c(c1C)[*:1]
Cc1sc(NC(=O)c2ccn(COc3ccccc3F)n2)c(C(N)=O)c1C Fc1ccccc1OC[*:1] Cc1sc(NC(=O)c2ccn(n2)[*:1])c(C(N)=O)c1C
Cc1sc(NC(=O)c2ccn(COc3ccccc3F)n2)c(C(N)=O)c1C Fc1ccccc1[*:1] Cc1sc(NC(=O)c2ccn(CO[*:1])n2)c(C(N)=O)c1C
Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 Cn1ccnc1[*:1] O=C(c1ccc(cc1)-c1cc[nH]n1)N1CCC[C@H](C1)C(=O)[*:1]
Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 c1cc(n[nH]1)[*:1] Cn1ccnc1C(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 Cn1ccnc1C(=O)[*:1] O=C(c1ccc(cc1)-c1cc[nH]n1)N1CCC[C@H](C1)[*:1]
Cc1nc(CN(C)C(=O)[C@H]2CCCCC[C@H]2[NH3+])n[nH]1 Cc1nc(n[nH]1)[*:1] CN(C[*:1])C(=O)[C@H]1CCCCC[C@H]1[NH3+]
Cc1noc(C)c1[C@@H](C)C(=O)Oc1ccc2cn[nH]c2c1 Cc1noc(C)c1[*:1] C[C@@H](C(=O)Oc1ccc2cn[nH]c2c1)[*:1]
COc1ccccc1OC1CN(c2cc(C)c3ccc(F)cc3n2)C1 COc1ccccc1[*:1] Cc1cc(nc2cc(F)ccc12)N1CC(C1)O[*:1]
CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N2CCC[C@@H]2c2nccs2)CC1 CC(=O)N1CCC(CC1)[*:1] O=C(c1cc(Cl)ccc1O[*:1])N1CCC[C@@H]1c1nccs1
CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N2CCC[C@@H]2c2nccs2)CC1 c1csc(n1)[*:1] CC(=O)N1CCC(CC1)Oc1ccc(Cl)cc1C(=O)N1CCC[C@H]1[*:1]
C[C@H]1CCC[C@@H](C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C1 Cn1cnn(c1=O)[*:1] C[C@H]1CCC[C@H](C1)C(=O)Nc1ccc(cc1)[*:1]
CC[NH2+][C@@]1(C(=O)OC)CCC[C@@H](Sc2nccc(C)n2)C1 COC(=O)[*:1] CC[NH2+][C@]1(CCC[C@H](C1)Sc1nccc(C)n1)[*:1]
CC[NH2+][C@@]1(C(=O)OC)CCC[C@@H](Sc2nccc(C)n2)C1 Cc1ccnc(n1)[*:1] CC[NH2+][C@]1(CCC[C@H](C1)S[*:1])C(=O)OC
CCCc1cc(N)nc([C@H]2CSCCO2)n1 CCC[*:1] Nc1cc(nc(n1)[C@H]1CSCCO1)[*:1]
O=C(NC[C@@H]1CC[C@@H](C(=O)[O-])O1)c1ccno1 O=C([O-])[*:1] O=C(NC[C@@H]1CC[C@@H](O1)[*:1])c1ccno1
O=C(NC[C@@H]1CC[C@@H](C(=O)[O-])O1)c1ccno1 c1cc(on1)[*:1] O=C([O-])[C@@H]1CC[C@@H](CNC(=O)[*:1])O1
N/C(CN(C[C@H]1Cc2ccccc2S1)C1CCCC1)=N\O N/C(C[*:1])=N\O c1ccc2S[C@H](Cc2c1)CN(C1CCCC1)[*:1]
N/C(CN(C[C@H]1Cc2ccccc2S1)C1CCCC1)=N\O N/C(=N\O)[*:1] c1ccc2S[C@H](Cc2c1)CN(C[*:1])C1CCCC1
N/C(CN(C[C@H]1Cc2ccccc2S1)C1CCCC1)=N\O C1CCC(C1)[*:1] N/C(CN(C[C@H]1Cc2ccccc2S1)[*:1])=N\O
CC(C)[C@@H]1C[C@@H](Nn2cccc2)CCO1 CC(C)[*:1] c1ccn(c1)N[C@H]1CCO[C@@H](C1)[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCC1)n2CC(=O)[O-] O=C([O-])[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCC1)n2C[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCC1)n2CC(=O)[O-] C1CCC(C1)N[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2CC(=O)[O-])[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCC1)n2CC(=O)[O-] C1CCC(C1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N[*:1])n2CC(=O)[O-]
Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCC1)n2CC(=O)[O-] O=C([O-])C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCC1)n2[*:1]
O=C(/C=C/c1ccco1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 C(=C[*:1])c1ccco1 O=C(N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(/C=C/c1ccco1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 c1csc(c1)C[*:1] O=C(/C=C/c1ccco1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(/C=C/c1ccco1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(/C=C/c1ccco1)N(Cc1cccs1)[*:1]
O=C(/C=C/c1ccco1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] O=C(/C=C/c1ccco1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(/C=C/c1ccco1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] O=C(C=C[*:1])N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1
CNC(=O)c1cccc(N[C@H](CO)c2ccc(Cl)c(F)c2)n1 CNC(=O)[*:1] OC[C@@H](Nc1cccc(n1)[*:1])c1ccc(Cl)c(F)c1
N#Cc1ccc(OCc2csc(-c3ccc(C(N)=O)cc3)n2)cc1F NC(=O)[*:1] N#Cc1ccc(cc1F)OCc1csc(n1)-c1ccc(cc1)[*:1]
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12 CNC(=O)[*:1] CS(=O)(=O)N(CCO)c1cc2oc(-c3ccc(F)cc3)c(c2cc1C1CC1)[*:1]
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12 Fc1ccc(cc1)[*:1] CNC(=O)c1c(oc2cc(c(cc12)C1CC1)N(CCO)S(C)(=O)=O)[*:1]
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12 CS(=O)(=O)N(CCO)[*:1] CNC(=O)c1c(oc2cc(c(cc12)C1CC1)[*:1])-c1ccc(F)cc1
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12 OCC[*:1] CNC(=O)c1c(oc2cc(c(cc12)C1CC1)N(S(C)(=O)=O)[*:1])-c1ccc(F)cc1
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12 C1CC1[*:1] CNC(=O)c1c(oc2cc(c(cc12)[*:1])N(CCO)S(C)(=O)=O)-c1ccc(F)cc1
C[C@H](CS(C)(=O)=O)N(C(=O)c1cnc(Cc2ccc(F)cc2)s1)C1CC1 CS(=O)(=O)C[*:1] C[C@H](N(C(=O)c1cnc(Cc2ccc(F)cc2)s1)C1CC1)[*:1]
C[C@H](CS(C)(=O)=O)N(C(=O)c1cnc(Cc2ccc(F)cc2)s1)C1CC1 CS(=O)(=O)[*:1] C[C@H](C[*:1])N(C(=O)c1cnc(Cc2ccc(F)cc2)s1)C1CC1
C[C@H](CS(C)(=O)=O)N(C(=O)c1cnc(Cc2ccc(F)cc2)s1)C1CC1 Fc1ccc(cc1)C[*:1] C[C@H](CS(C)(=O)=O)N(C(=O)c1cnc(s1)[*:1])C1CC1
C[C@H](CS(C)(=O)=O)N(C(=O)c1cnc(Cc2ccc(F)cc2)s1)C1CC1 Fc1ccc(cc1)[*:1] C[C@H](CS(C)(=O)=O)N(C(=O)c1cnc(C[*:1])s1)C1CC1
C[C@H](CS(C)(=O)=O)N(C(=O)c1cnc(Cc2ccc(F)cc2)s1)C1CC1 C1CC1[*:1] C[C@H](CS(C)(=O)=O)N(C(=O)c1cnc(Cc2ccc(F)cc2)s1)[*:1]
Cc1ccc(-c2noc(CCC(=O)[O-])n2)cc1C O=C([O-])[*:1] Cc1ccc(cc1C)-c1noc(CC[*:1])n1
Cc1ccc(-c2noc(CCC(=O)[O-])n2)cc1C O=C([O-])C[*:1] Cc1ccc(cc1C)-c1noc(C[*:1])n1
Cc1ccc(-c2noc(CCC(=O)[O-])n2)cc1C O=C([O-])CC[*:1] Cc1ccc(cc1C)-c1noc(n1)[*:1]
Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 Cc1cc(Cl)ccc1[*:1] CN1N=C(CCC1=O)C(=O)N1CCC[C@@H](C1)C(=O)[*:1]
CC(=O)N1CCc2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc21 O=[N+]([O-])[*:1] CC(=O)N1CCc2ccc(cc21)NC(=O)/C=C/c1ccc(cc1)[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1Cc2ccccc2O1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1Cc2ccccc2O1
CC[C@@H](C)NC(=O)Nc1ccc(C(=O)OC)cc1 COC(=O)[*:1] CC[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)Nc1ccc(C(=O)OC)cc1 CC[C@@H](C)[*:1] COC(=O)c1ccc(cc1)NC(=O)N[*:1]
CN(C(=O)c1occc1Br)[C@H](c1ccc(F)cc1)C1CC1 Brc1ccoc1[*:1] CN(C(=O)[*:1])[C@H](c1ccc(F)cc1)C1CC1
CN(C(=O)c1occc1Br)[C@H](c1ccc(F)cc1)C1CC1 C1CC1[*:1] CN(C(=O)c1occc1Br)[C@H](c1ccc(F)cc1)[*:1]
CN(C(=O)c1occc1Br)[C@H](c1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] CN(C(=O)c1occc1Br)[C@H](C1CC1)[*:1]
N#Cc1ccsc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1ccsc1NC(=O)c1ccc(Cl)c(c1)[*:1]
C[C@@H]1CCc2c(sc(N3CCCC3=O)c2C#N)C1 O=C1CCCN1[*:1] C[C@@H]1CCc2c(C1)sc(c2C#N)[*:1]
COc1ccc(-c2noc(-c3nnn(-c4ccc(C(C)C)cc4)c3C)n2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1noc(n1)-c1nnn(-c2ccc(cc2)[*:1])c1C
COc1ccc(-c2noc(-c3nnn(-c4ccc(C(C)C)cc4)c3C)n2)cc1 COc1ccc(cc1)[*:1] Cc1c(nnn1-c1ccc(cc1)C(C)C)-c1nc(no1)[*:1]
COc1ccc(-c2noc(-c3nnn(-c4ccc(C(C)C)cc4)c3C)n2)cc1 CC(C)c1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc(n1)-c1nnn(c1C)[*:1]
Cc1cccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c1C Fc1cccc(c1)[*:1] Cc1cccc(c1C)N1CC[NH+](CC1)C[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 CC[S@@](=O)[*:1] O=[N+]([O-])c1cccc(c1)C[NH2+][C@H]1CCCC[C@H]1[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(c1)[*:1]
CC(C)N1CC[C@H](Nc2ccc(F)c(C(=O)N(C)C)c2)C1=O CN(C)C(=O)[*:1] CC(C)N1CC[C@H](Nc2ccc(F)c(c2)[*:1])C1=O
CC(C)N1CC[C@H](Nc2ccc(F)c(C(=O)N(C)C)c2)C1=O CC(C)[*:1] CN(C)C(=O)c1cc(ccc1F)N[C@H]1CCN(C1=O)[*:1]
COCCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(OC)c1 COCCC[*:1] COc1cccc(c1)[C@]1(C)Nc2ccccc2C(=O)N1[*:1]
COCCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(OC)c1 COCC[*:1] COc1cccc(c1)[C@]1(C)Nc2ccccc2C(=O)N1C[*:1]
COCCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(OC)c1 COC[*:1] COc1cccc(c1)[C@]1(C)Nc2ccccc2C(=O)N1CC[*:1]
COCCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(OC)c1 COc1cccc(c1)[*:1] COCCCN1C(=O)c2ccccc2N[C@]1(C)[*:1]
C[C@H](SCc1cccc2ccccc12)C(=O)Nc1sccc1C(N)=O NC(=O)c1ccsc1[*:1] C[C@H](SCc1cccc2ccccc12)C(=O)N[*:1]
C[C@H](SCc1cccc2ccccc12)C(=O)Nc1sccc1C(N)=O NC(=O)[*:1] C[C@H](SCc1cccc2ccccc12)C(=O)Nc1sccc1[*:1]
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1ccccc1-n1cccn1)CC2 c1cnn(c1)[*:1] CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(CC2)C(=O)c1ccccc1[*:1]
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1ccccc1-n1cccn1)CC2 O=C([O-])[*:1] CN1C(=O)C[C@@H](C12CCN(CC2)C(=O)c1ccccc1-n1cccn1)[*:1]
Cc1cc2ccccc2c[n+]1CCCc1ccccc1 c1ccc(cc1)[*:1] Cc1cc2ccccc2c[n+]1CCC[*:1]
O=C(NCc1nnc2n1CCCCC2)N(Cc1ccccc1)C[C@@H]1CCCO1 c1ccc(cc1)C[*:1] O=C(NCc1nnc2CCCCCn21)N(C[C@@H]1CCCO1)[*:1]
O=C(NCc1nnc2n1CCCCC2)N(Cc1ccccc1)C[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(NCc1nnc2CCCCCn21)N(C[C@@H]1CCCO1)C[*:1]
Cc1csc(NC(=O)CSCC(=O)Nc2ccccc2)n1 Cc1csc(n1)[*:1] O=C(CSCC(=O)N[*:1])Nc1ccccc1
Cc1csc(NC(=O)CSCC(=O)Nc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)CSCC(=O)N[*:1]
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 CCOC(=O)[*:1] O=C(Nc1c([nH]c2ccccc12)[*:1])c1ccc(cc1)N1C(=O)CCC1=O
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(cc1)[*:1]
C=C(C)CN(CC)C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 C=C(C)[*:1] CCN(C[*:1])C(=O)CN1CCN(CC1)C(=O)C[NH+](C)C
C=C(C)CN(CC)C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1 C=C(C)C[*:1] CCN(C(=O)CN1CCN(CC1)C(=O)C[NH+](C)C)[*:1]
COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccncc3)C2)c1 c1cc(ccn1)C[*:1] COc1cccc(c1)-c1nccnc1[C@@H]1CCCN(C1)C(=O)[*:1]
COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccncc3)C2)c1 COc1cccc(c1)[*:1] O=C(Cc1ccncc1)N1CCC[C@H](C1)c1nccnc1[*:1]
COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccncc3)C2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)-c1nccnc1[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1cc(C)cc(CCNC(=O)C(=O)Nc2ccc3ccn(C)c3c2)c1 Cc1cc(C)cc(c1)[*:1] Cn1ccc2ccc(cc21)NC(=O)C(=O)NCC[*:1]
O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C1c2cccc(NC(=O)[*:1])c2C(=O)N1c1ccccc1
O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(Nc1cccc2C(=O)N(C(=O)c12)[*:1])c1ccc(Cl)cc1Cl
O=C1CCCN1C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 O=C1CCCN1C[*:1] O=C(N[C@H](c1ccccc1)[*:1])N1CCC[C@@H]2CCC[C@@H]21
O=C1CCCN1C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCN1C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)[*:1]
O=C1CCCN1C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 O=C1CCCN1[*:1] O=C(N[C@@H](C[*:1])c1ccccc1)N1CCC[C@@H]2CCC[C@@H]21
C=CCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 C=CCS[*:1] CC1NC(=C(C#N)[C@@H](C=1C(=O)Nc1ccccc1)c1ccco1)[*:1]
C=CCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 c1ccc(cc1)[*:1] C=CCSC1NC(C)=C(C(=O)N[*:1])[C@H](C=1C#N)c1ccco1
C=CCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 C=CC[*:1] CC1NC(S[*:1])=C(C#N)[C@@H](C=1C(=O)Nc1ccccc1)c1ccco1
C=CCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 c1coc(c1)[*:1] C=CCSC1NC(C)=C(C(=O)Nc2ccccc2)[C@@H](C=1C#N)[*:1]
C=CCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 O=C(Nc1ccccc1)[*:1] C=CCSC1NC(C)=C([C@H](C=1C#N)c1ccco1)[*:1]
CCN1CC[NH+]([C@@H](c2ccc(Br)cc2)c2sc3nc(C)nn3c2[O-])CC1 Brc1ccc(cc1)[*:1] CCN1CC[NH+](CC1)[C@@H](c1sc2nc(C)nn2c1[O-])[*:1]
CCCC(=O)N1CCC(C(=O)NC[C@@H](O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CCCC(=O)N1CCC(CC1)C(=O)NC[C@@H](O)[*:1]
CCCC(=O)N1CCC(C(=O)NC[C@@H](O)c2ccccc2Cl)CC1 CCC[*:1] O=C(NC[C@@H](O)c1ccccc1Cl)C1CCN(CC1)C(=O)[*:1]
CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(Br)cc1 c1ccc(cc1)[*:1] CCN(Cc1nc(no1)[*:1])S(=O)(=O)c1ccc(Br)cc1
CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCN(Cc1nc(no1)-c1ccccc1)S(=O)(=O)[*:1]
C[C@@H](C#N)NC(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] C[C@@H](C#N)NC(=O)c1nc(n2ccccc12)[*:1]
C[C@@H](C#N)NC(=O)c1nc(C2CC2)n2ccccc12 C[C@@H](C#N)[*:1] O=C(N[*:1])c1nc(C2CC2)n2ccccc12
COc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cs2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)-c1nc(cs1)C(=O)N1CCN(CC1)c1ccccc1[*:1]
COc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cs2)cc1OC O=[N+]([O-])c1ccccc1[*:1] COc1ccc(cc1OC)-c1nc(cs1)C(=O)N1CCN(CC1)[*:1]
COc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cs2)cc1OC COc1ccc(cc1OC)[*:1] O=C(c1csc(n1)[*:1])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
O=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(COc1cccc(c1)-c1noc(n1)-c1ccc(Cl)cc1)N[*:1]
O=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1cccc(c1)-c1noc(n1)-c1ccc(Cl)cc1)NC[*:1]
O=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] Clc1ccc(cc1)-c1nc(no1)-c1cccc(c1)OC[*:1]
O=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)NCc1ccccc1 Clc1ccc(cc1)[*:1] O=C(COc1cccc(c1)-c1noc(n1)[*:1])NCc1ccccc1
N#C[C@@H](Sc1ccccc1Cl)C(F)(F)F FC(F)(F)[*:1] N#C[C@@H](Sc1ccccc1Cl)[*:1]
Cc1cnc2c(c1)nc([C@H](C)Cl)n2[C@H](C)c1ccc(C)o1 Cc1ccc(o1)[*:1] Cc1cnc2c(c1)nc([C@H](C)Cl)n2[C@H](C)[*:1]
Cc1cnc2c(c1)nc([C@H](C)Cl)n2[C@H](C)c1ccc(C)o1 C[C@H](Cl)[*:1] Cc1cnc2c(c1)nc(n2[C@H](C)c1ccc(C)o1)[*:1]
CN(C)c1ccc(CNC(=O)N2CCN(C)c3ccccc3C2)c[nH+]1 CN(C)[*:1] CN1CCN(Cc2ccccc21)C(=O)NCc1ccc([nH+]c1)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)NCC2(N3CCOCC3)CCCCC2)c1 C1CN(CCO1)[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)NCC1(CCCCC1)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)NCC2(N3CCOCC3)CCCCC2)c1 CCC(=O)N[*:1] Cc1ccc(cc1NC(=O)NCC1(CCCCC1)N1CCOCC1)[*:1]
CCOc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1 CCO[*:1] O=C1CCCC2NC3CCCC(=O)C=3C(C=21)c1cccc(c1)[*:1]
Cc1cnc2c(S(=O)(=O)N3CCc4c(ncn4C4CC4)C3)cccc2c1 C1CC1[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N1CCc2c(C1)ncn2[*:1]
COC(=O)c1cnc(-c2ccccc2)nc1Cl COC(=O)[*:1] Clc1nc(ncc1[*:1])-c1ccccc1
C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)[*:1]
C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)NC(N)=O Fc1ccc(cc1)[*:1] C[C@H](Sc1nnc(c2ccccc12)[*:1])C(=O)NC(N)=O
CC(C)Cc1ccc(CNc2cnn(-c3ncccn3)c2)cc1 CC(C)[*:1] c1cnc(nc1)-n1cc(cn1)NCc1ccc(cc1)C[*:1]
CC(C)Cc1ccc(CNc2cnn(-c3ncccn3)c2)cc1 c1cnc(nc1)[*:1] CC(C)Cc1ccc(cc1)CNc1cnn(c1)[*:1]
CC(C)Cc1ccc(CNc2cnn(-c3ncccn3)c2)cc1 CC(C)C[*:1] c1cnc(nc1)-n1cc(cn1)NCc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(F)(F)F)cc1 Cc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)OCC(F)(F)F
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(F)(F)F)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)O[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)OC[*:1]
CCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br Clc1ccc(O[*:1])c(Cl)c1 CCOc1ccc(cc1Br)C(=O)NNC(=O)[C@H](C)[*:1]
CCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br CCO[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(c(Br)c1)[*:1]
CCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br Clc1ccc(c(Cl)c1)[*:1] CCOc1ccc(cc1Br)C(=O)NNC(=O)[C@H](C)O[*:1]
COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1c(C)cccc1C(C)C COc1ccccc1[*:1] Cc1cccc(c1NC(=O)[C@@H](C)Sc1nncn1[*:1])C(C)C
COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1c(C)cccc1C(C)C CC(C)[*:1] COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1c(C)cccc1[*:1]
CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C)nc2)o1 CCc1ccc(o1)[*:1] Cc1ccc(cn1)C(=O)N1CCCCC[C@@H]1[*:1]
CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C)nc2)o1 Cc1ccc(cn1)[*:1] CCc1ccc(o1)[C@H]1CCCCCN1C(=O)[*:1]
O=C(OCc1ccccc1F)[C@H]1CCCN1S(=O)(=O)c1ccccc1 Fc1ccccc1C[*:1] O=C(O[*:1])[C@H]1CCCN1S(=O)(=O)c1ccccc1
O=C(OCc1ccccc1F)[C@H]1CCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(OCc1ccccc1F)[C@H]1CCCN1S(=O)(=O)[*:1]
O=C(OCc1ccccc1F)[C@H]1CCCN1S(=O)(=O)c1ccccc1 Fc1ccccc1[*:1] O=C(OC[*:1])[C@H]1CCCN1S(=O)(=O)c1ccccc1
O=C(Nc1cccc(Oc2ccccn2)c1)c1cn[nH]n1 c1ccc(nc1)[*:1] O=C(Nc1cccc(c1)O[*:1])c1cn[nH]n1
O=C(Nc1cccc(Oc2ccccn2)c1)c1cn[nH]n1 c1n[nH]nc1[*:1] O=C(Nc1cccc(c1)Oc1ccccn1)[*:1]
O=C(Nc1cccc(Oc2ccccn2)c1)c1cn[nH]n1 c1ccc(nc1)O[*:1] O=C(Nc1cccc(c1)[*:1])c1cn[nH]n1
Cn1c(=O)c2c(nc(Cl)n2CCS(=O)(=O)c2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(Cl)n2CCS(=O)(=O)[*:1])n(C)c1=O
CC(C)CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1F
CC(C)CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1F
CC(C)CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] CC(C)CC[C@@H](C)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 CC(C)CC[*:1] C[C@@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1F)[*:1]
Cc1cccc(C(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)c1 Cc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1ccccc1F
Cc1cccc(C(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)c1 Fc1ccccc1[*:1] Cc1cccc(c1)C(=O)NCC(=O)N1CCN(CC1)[*:1]
O=C([O-])C[C@@H](NC(=O)c1ccco1)c1ccc(OC2CCCC2)cc1 c1coc(c1)[*:1] O=C([O-])C[C@@H](NC(=O)[*:1])c1ccc(cc1)OC1CCCC1
O=C([O-])C[C@@H](NC(=O)c1ccco1)c1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] O=C([O-])C[C@@H](NC(=O)c1ccco1)c1ccc(cc1)O[*:1]
O=C([O-])C[C@@H](NC(=O)c1ccco1)c1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] O=C([O-])C[C@@H](NC(=O)c1ccco1)c1ccc(cc1)[*:1]
O=C([O-])C[C@@H](NC(=O)c1ccco1)c1ccc(OC2CCCC2)cc1 O=C(N[*:1])c1ccco1 O=C([O-])C[C@@H](c1ccc(cc1)OC1CCCC1)[*:1]
O=C([O-])C[C@@H](NC(=O)c1ccco1)c1ccc(OC2CCCC2)cc1 O=C([O-])C[*:1] O=C(N[C@@H](c1ccc(cc1)OC1CCCC1)[*:1])c1ccco1
O=C([O-])C[C@@H](NC(=O)c1ccco1)c1ccc(OC2CCCC2)cc1 O=C([O-])[*:1] O=C(N[C@H](C[*:1])c1ccc(cc1)OC1CCCC1)c1ccco1
C[C@H](CCc1ccccc1)NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)N[C@@H]1CC(=O)N(C1)c1ccccc1
C[C@H](CCc1ccccc1)NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)N[C@@H]1CC(=O)N(C1)c1ccccc1
C[C@H](CCc1ccccc1)NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](CCc1ccccc1)NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)N[C@@H]1CC(=O)N(C1)c1ccccc1)[*:1]
O=C(CNC(=O)c1cccc(Br)c1)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)c1cccc(Br)c1)O[*:1]
O=C(CNC(=O)c1cccc(Br)c1)OCc1ccccc1 Brc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])OCc1ccccc1
O=C(CNC(=O)c1cccc(Br)c1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1cccc(Br)c1)OC[*:1]
COCCNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O COCC[*:1] Cc1c(CC(=O)N[*:1])c(=O)oc2cc3occ(c3cc12)C(C)(C)C
COCCNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O COCCNC(=O)C[*:1] Cc1c(c(=O)oc2cc3occ(c3cc12)C(C)(C)C)[*:1]
COCCNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O COCCNC(=O)[*:1] Cc1c(C[*:1])c(=O)oc2cc3occ(c3cc12)C(C)(C)C
COCCNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O COC[*:1] Cc1c(CC(=O)NC[*:1])c(=O)oc2cc3occ(c3cc12)C(C)(C)C
COCCNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O CC(C)(C)[*:1] COCCNC(=O)Cc1c(C)c2cc3c(coc3cc2oc1=O)[*:1]
COCc1cc(=O)n(CC(=O)NC2CCCCC2)c(N2CCOCC2)n1 C1CN(CCO1)[*:1] COCc1cc(=O)n(CC(=O)NC2CCCCC2)c(n1)[*:1]
COCc1cc(=O)n(CC(=O)NC2CCCCC2)c(N2CCOCC2)n1 C1CCC(CC1)[*:1] COCc1cc(=O)n(CC(=O)N[*:1])c(n1)N1CCOCC1
COCc1cc(=O)n(CC(=O)NC2CCCCC2)c(N2CCOCC2)n1 COC[*:1] O=C(Cn1c(nc(cc1=O)[*:1])N1CCOCC1)NC1CCCCC1
O=C(Cc1cccc(F)c1)Nc1cccc(C[NH+]2CCCCC2)c1 Fc1cccc(c1)C[*:1] O=C(Nc1cccc(c1)C[NH+]1CCCCC1)[*:1]
O=C(Cc1cccc(F)c1)Nc1cccc(C[NH+]2CCCCC2)c1 Fc1cccc(c1)[*:1] O=C(C[*:1])Nc1cccc(c1)C[NH+]1CCCCC1
CCOc1ccccc1N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 CCO[*:1] c1ccc(c(c1)N1CCN(CC1)c1[nH]c2ccccc2[nH+]1)[*:1]
CCCNC(=O)c1cccc(N[C@@H]2CSCCC2(C)C)c1 CCCNC(=O)[*:1] CC1(C)CCSC[C@H]1Nc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(N[C@@H]2CSCCC2(C)C)c1 CCC[*:1] CC1(C)CCSC[C@H]1Nc1cccc(c1)C(=O)N[*:1]
C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 O=[N+]([O-])[*:1] C/C(=N/NC(=O)Cc1ccc(cc1)[*:1])C12CC3CC(CC(C3)C1)C2
CC[C@@H]([NH3+])Cc1cccc(OC)c1OCc1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H]([NH3+])Cc1cccc(OC)c1OC[*:1]
CC[C@@H]([NH3+])Cc1cccc(OC)c1OCc1nc(C)cs1 Cc1csc(C[*:1])n1 CC[C@@H]([NH3+])Cc1cccc(OC)c1O[*:1]
C=CCS(=O)(=O)/N=C(\[O-])C[C@@H](C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C=CCS(=O)(=O)/N=C(\[O-])C[C@@H](C)c1cccc(c1)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])C[C@@H](C)c1cccc(C(F)(F)F)c1 C=CC[*:1] C[C@H](C/C([O-])=N/S(=O)(=O)[*:1])c1cccc(c1)C(F)(F)F
CNC(=O)Cn1ccc2ccc(NC(=O)NCc3nncn3C3CC3)cc21 c1nnc(C[*:1])n1C1CC1 CNC(=O)Cn1ccc2ccc(cc21)NC(=O)N[*:1]
CNC(=O)Cn1ccc2ccc(NC(=O)NCc3nncn3C3CC3)cc21 c1nnc(n1C1CC1)[*:1] CNC(=O)Cn1ccc2ccc(cc21)NC(=O)NC[*:1]
CNC(=O)Cn1ccc2ccc(NC(=O)NCc3nncn3C3CC3)cc21 CNC(=O)[*:1] O=C(NCc1nncn1C1CC1)Nc1ccc2ccn(C[*:1])c2c1
CNC(=O)Cn1ccc2ccc(NC(=O)NCc3nncn3C3CC3)cc21 C1CC1[*:1] CNC(=O)Cn1ccc2ccc(cc21)NC(=O)NCc1nncn1[*:1]
CNC(=O)Cn1ccc2ccc(NC(=O)NCc3nncn3C3CC3)cc21 CNC(=O)C[*:1] O=C(NCc1nncn1C1CC1)Nc1ccc2ccn(c2c1)[*:1]
CC[C@@H](C#N)NC(=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@@H](C#N)NC(=O)c1cnn(c1)[*:1]
O=C(NCc1ccc([N+]2=CCCC2)cc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)C(=O)N[*:1]
COCc1ccc(CN2CC[NH2+][C@@H](C)C2)cc1 COC[*:1] C[C@H]1CN(CC[NH2+]1)Cc1ccc(cc1)[*:1]
Cc1cc(CN(C)CC(C)(C)S(C)(=O)=O)c(C)n1Cc1ccco1 CC(C)(C[*:1])S(C)(=O)=O Cc1cc(CN(C)[*:1])c(C)n1Cc1ccco1
Cc1cc(CN(C)CC(C)(C)S(C)(=O)=O)c(C)n1Cc1ccco1 CC(C)(S(C)(=O)=O)[*:1] Cc1cc(CN(C)C[*:1])c(C)n1Cc1ccco1
Cc1cc(CN(C)CC(C)(C)S(C)(=O)=O)c(C)n1Cc1ccco1 CS(=O)(=O)[*:1] Cc1cc(CN(C)CC(C)(C)[*:1])c(C)n1Cc1ccco1
Cc1cc(CN(C)CC(C)(C)S(C)(=O)=O)c(C)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1cc(CN(C)CC(C)(C)S(C)(=O)=O)c(C)n1[*:1]
Cc1cc(CN(C)CC(C)(C)S(C)(=O)=O)c(C)n1Cc1ccco1 c1coc(c1)[*:1] Cc1cc(CN(C)CC(C)(C)S(C)(=O)=O)c(C)n1C[*:1]
CCOC[C@@H]1CCCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)C1 Fc1ccc(cc1)C[*:1] CCOC[C@@H]1CCCN(C1)C(=O)C1CCC(=O)N(N=1)[*:1]
CCOC[C@@H]1CCCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)C1 CCOC[*:1] O=C(C1CCC(=O)N(Cc2ccc(F)cc2)N=1)N1CCC[C@H](C1)[*:1]
CCOC[C@@H]1CCCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)C1 Fc1ccc(cc1)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)C1CCC(=O)N(C[*:1])N=1
CCOC[C@@H]1CCCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)C1 CCO[*:1] O=C(C1CCC(=O)N(Cc2ccc(F)cc2)N=1)N1CCC[C@H](C1)C[*:1]
CCCNC(=O)c1ccc(NC[C@H]2CCO[C@@H]2c2ccccc2)nc1 CCC[*:1] O=C(N[*:1])c1ccc(nc1)NC[C@H]1CCO[C@@H]1c1ccccc1
CCCNC(=O)c1ccc(NC[C@H]2CCO[C@@H]2c2ccccc2)nc1 CCCNC(=O)[*:1] c1ccc(cc1)[C@H]1OCC[C@@H]1CNc1ccc(cn1)[*:1]
CCCNC(=O)c1ccc(NC[C@H]2CCO[C@@H]2c2ccccc2)nc1 c1ccc(cc1)[*:1] CCCNC(=O)c1ccc(nc1)NC[C@H]1CCO[C@H]1[*:1]
Cc1ccc2sc(NC(=O)Cc3ccc(F)cc3)nc2c1C Fc1ccc(cc1)[*:1] Cc1ccc2sc(nc2c1C)NC(=O)C[*:1]
CC(=O)N(C)C1CCN([C@H](C)C(=O)NC(=O)NC2CCCC2)CC1 CC(=O)N(C)[*:1] C[C@H](C(=O)NC(=O)NC1CCCC1)N1CCC(CC1)[*:1]
CC(=O)N(C)C1CCN([C@H](C)C(=O)NC(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] CC(=O)N(C)C1CCN(CC1)[C@H](C)C(=O)NC(=O)N[*:1]
O=C(OCCN1CCCC1=O)c1cc2c(s1)-c1ccccc1OC2 O=C1CCCN1CC[*:1] O=C(O[*:1])c1cc2COc3ccccc3-c2s1
O=C(OCCN1CCCC1=O)c1cc2c(s1)-c1ccccc1OC2 O=C1CCCN1[*:1] O=C(OCC[*:1])c1cc2COc3ccccc3-c2s1
O=C(OCCN1CCCC1=O)c1cc2c(s1)-c1ccccc1OC2 O=C1CCCN1C[*:1] O=C(OC[*:1])c1cc2COc3ccccc3-c2s1
CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3F)c2C)c1 CC(=O)c1cccc(c1)[*:1] Cc1c(nnn1CC(=O)N[*:1])C(=O)Nc1ccccc1F
CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3F)c2C)c1 CC(=O)[*:1] Cc1c(nnn1CC(=O)Nc1cccc(c1)[*:1])C(=O)Nc1ccccc1F
CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3F)c2C)c1 Fc1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=O)Cn1nnc(C(=O)N[*:1])c1C
COc1ccc2c(c1)C[C@H](C(=O)NCc1csc(-c3ccccc3)n1)CO2 c1ccc(cc1)[*:1] COc1ccc2OC[C@H](Cc2c1)C(=O)NCc1csc(n1)[*:1]
Cc1ccc(C[NH+]2CCC(C(=O)[O-])(n3ccc(C(C)(C)C)n3)CC2)o1 O=C([O-])[*:1] Cc1ccc(C[NH+]2CCC(CC2)(n2ccc(n2)C(C)(C)C)[*:1])o1
Cc1ccc(C[NH+]2CCC(C(=O)[O-])(n3ccc(C(C)(C)C)n3)CC2)o1 Cc1ccc(o1)[*:1] CC(C)(C)c1ccn(n1)C1(CC[NH+](CC1)C[*:1])C(=O)[O-]
Cc1ccc(C[NH+]2CCC(C(=O)[O-])(n3ccc(C(C)(C)C)n3)CC2)o1 Cc1ccc(C[*:1])o1 CC(C)(C)c1ccn(n1)C1(CC[NH+](CC1)[*:1])C(=O)[O-]
Cc1ccc(C[NH+]2CCC(C(=O)[O-])(n3ccc(C(C)(C)C)n3)CC2)o1 CC(C)(C)[*:1] Cc1ccc(C[NH+]2CCC(CC2)(C(=O)[O-])n2ccc(n2)[*:1])o1
C[C@@H](OC(=O)c1cccn1C)C(=O)N[C@H]1CCCc2ccccc21 Cn1cccc1[*:1] C[C@@H](OC(=O)[*:1])C(=O)N[C@H]1CCCc2ccccc21
CC(C)Oc1ccccc1NC(=O)Cc1csc(-c2ccoc2)n1 CC(C)[*:1] O=C(Cc1csc(n1)-c1ccoc1)Nc1ccccc1O[*:1]
CC(C)Oc1ccccc1NC(=O)Cc1csc(-c2ccoc2)n1 c1cc(co1)[*:1] CC(C)Oc1ccccc1NC(=O)Cc1csc(n1)[*:1]
CC(C)Oc1ccccc1NC(=O)Cc1csc(-c2ccoc2)n1 CC(C)O[*:1] O=C(Cc1csc(n1)-c1ccoc1)Nc1ccccc1[*:1]
O=C(CCNC(=O)N[C@H]1CC=CCC1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCNC(=O)N[C@H]1CC=CCC1)N[*:1]
CCc1cc(NCc2ccnc(OC3CCC3)c2)n2ncnc2n1 C1CC(C1)[*:1] CCc1cc(NCc2ccnc(c2)O[*:1])n2ncnc2n1
CCc1cc(NCc2ccnc(OC3CCC3)c2)n2ncnc2n1 C1CC(C1)O[*:1] CCc1cc(NCc2ccnc(c2)[*:1])n2ncnc2n1
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C(=O)NC[*:1]
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)Nc1ccccc1C(=O)NCc1ccc2OCOc2c1)[*:1]
COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)c(OC)c1 Cc1cccc(c1)C[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)S[*:1]
COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)c(OC)c1 Cc1cccc(c1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)SC[*:1]
COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)c(OC)c1 Cc1cccc(c1)CS[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)[*:1]
COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cccc(c1)CSc1nc2nc3C[C@@H](CC(=O)c3cn2n1)[*:1]
COC(=O)Nc1cccc(NC(=O)[C@@H](C)CCc2ccccc2F)c1 Fc1ccccc1C[*:1] COC(=O)Nc1cccc(c1)NC(=O)[C@@H](C)C[*:1]
COC(=O)Nc1cccc(NC(=O)[C@@H](C)CCc2ccccc2F)c1 Fc1ccccc1[*:1] COC(=O)Nc1cccc(c1)NC(=O)[C@@H](C)CC[*:1]
COC(=O)Nc1cccc(NC(=O)[C@@H](C)CCc2ccccc2F)c1 COC(=O)N[*:1] C[C@@H](CCc1ccccc1F)C(=O)Nc1cccc(c1)[*:1]
O=C(CSCc1ccccc1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 c1ccc(cc1)[*:1] O=C(CSC[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1
O=C(CSCc1ccccc1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 c1ccc(cc1)C[*:1] O=C(CS[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1
O=C(CSCc1ccccc1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 c1ccc(cc1)CS[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1
O=C(CSCc1ccccc1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 c1ccc(cc1)CSC[*:1] O=C(Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1)[*:1]
Oc1c(F)cc(CN2CCO[C@H](c3ccccc3Br)C2)cc1F Brc1ccccc1[*:1] Oc1c(F)cc(cc1F)CN1CCO[C@H](C1)[*:1]
NC(=O)NC[C@H]1CCCCN1C(=O)c1cc(F)c(Cl)cc1Cl NC(=O)N[*:1] O=C(c1cc(F)c(Cl)cc1Cl)N1CCCC[C@@H]1C[*:1]
NC(=O)NC[C@H]1CCCCN1C(=O)c1cc(F)c(Cl)cc1Cl NC(=O)NC[*:1] O=C(c1cc(F)c(Cl)cc1Cl)N1CCCC[C@@H]1[*:1]
N#C/C(=C\c1cccc(C#N)c1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 N#Cc1cccc(c1)[*:1] N#CC(=C[*:1])c1nc2sc3CCCCc3c2c(=O)[nH]1
C[C@H](Cl)c1nc2cnccc2n1CCOC1CCCCC1 C[C@H](Cl)[*:1] c1cc2c(cn1)nc(n2CCOC1CCCCC1)[*:1]
C[C@H](Cl)c1nc2cnccc2n1CCOC1CCCCC1 C1CCC(CC1)O[*:1] C[C@H](Cl)c1nc2cnccc2n1CC[*:1]
C[C@H](Cl)c1nc2cnccc2n1CCOC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](Cl)c1nc2cnccc2n1CCO[*:1]
COc1ccc(C(=O)NCCSC2=c3ccccc3=[NH+][C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NCCSC1=c2ccccc2=[NH+][C@H]1[*:1]
COc1ccc(C(=O)NCCSC2=c3ccccc3=[NH+][C@@H]2c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NCCSC1=c2ccccc2=[NH+][C@@H]1c1ccc(F)cc1)[*:1]
C[NH+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[NH+](CC(=O)NCc1ccc2OCOc2c1)C[*:1]
Cc1c(CC(=O)N2CC(O)C2)c2c(n1CCc1ccccc1)CCCC2=O O=C(N1CC(O)C1)[*:1] Cc1c(C[*:1])c2C(=O)CCCc2n1CCc1ccccc1
Cc1c(CC(=O)N2CC(O)C2)c2c(n1CCc1ccccc1)CCCC2=O c1ccc(cc1)CC[*:1] Cc1c(CC(=O)N2CC(O)C2)c2C(=O)CCCc2n1[*:1]
Cc1c(CC(=O)N2CC(O)C2)c2c(n1CCc1ccccc1)CCCC2=O c1ccc(cc1)[*:1] Cc1c(CC(=O)N2CC(O)C2)c2C(=O)CCCc2n1CC[*:1]
Cc1c(CC(=O)N2CC(O)C2)c2c(n1CCc1ccccc1)CCCC2=O c1ccc(cc1)C[*:1] Cc1c(CC(=O)N2CC(O)C2)c2C(=O)CCCc2n1C[*:1]
Cc1c(CC(=O)N2CC(O)C2)c2c(n1CCc1ccccc1)CCCC2=O O=C(C[*:1])N1CC(O)C1 Cc1c(c2C(=O)CCCc2n1CCc1ccccc1)[*:1]
Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H]([NH2+][C@H](C)c1ccc(cc1)S(N)(=O)=O)[*:1]
Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C NS(=O)(=O)[*:1] Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(cc1)[*:1])C(C)C
Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C CC(C)[*:1] Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(cc1)S(N)(=O)=O)[*:1]
CNC(=O)CN1CCC([NH2+]Cc2cccc3ccccc23)CC1 CNC(=O)[*:1] c1ccc2c(cccc2c1)C[NH2+]C1CCN(CC1)C[*:1]
CNC(=O)CN1CCC([NH2+]Cc2cccc3ccccc23)CC1 CNC(=O)C[*:1] c1ccc2c(cccc2c1)C[NH2+]C1CCN(CC1)[*:1]
Cc1cc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)no1 C1CC1C[*:1] Cc1cc(no1)C(=O)N1CC[C@]2(CCCN(C2=O)[*:1])C1
Cc1cc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)no1 C1CC1[*:1] Cc1cc(no1)C(=O)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
Cc1cc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)no1 Cc1cc(no1)[*:1] O=C1N(CCC[C@]12CCN(C2)C(=O)[*:1])CC1CC1
CO[C@@H](CNC(=O)/C=C/c1csc(C)n1)c1cccc(Cl)c1 Cc1nc(cs1)[*:1] CO[C@@H](CNC(=O)C=C[*:1])c1cccc(Cl)c1
CO[C@@H](CNC(=O)/C=C/c1csc(C)n1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@@H](CNC(=O)/C=C/c1csc(C)n1)[*:1]
Cc1cccc(OCC(=O)Nc2scnc2C)c1 Cc1ncsc1[*:1] Cc1cccc(c1)OCC(=O)N[*:1]
O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1S(=O)(=O)[*:1]
O=C(CSCC(F)(F)F)N1CCN(C(=O)c2cccnc2)CC1 FC(F)(F)CS[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1cccnc1
O=C(CSCC(F)(F)F)N1CCN(C(=O)c2cccnc2)CC1 FC(F)(F)[*:1] O=C(CSC[*:1])N1CCN(CC1)C(=O)c1cccnc1
O=C(CSCC(F)(F)F)N1CCN(C(=O)c2cccnc2)CC1 FC(F)(F)C[*:1] O=C(CS[*:1])N1CCN(CC1)C(=O)c1cccnc1
O=C(CSCC(F)(F)F)N1CCN(C(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] O=C(CSCC(F)(F)F)N1CCN(CC1)C(=O)[*:1]
O=C(CSCC(F)(F)F)N1CCN(C(=O)c2cccnc2)CC1 FC(F)(F)CSC[*:1] O=C(c1cccnc1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1nc(C(C)C)no1 CC(C)c1noc(n1)[*:1] Cc1ccc(Cl)cc1NC(=O)C(=O)NCC[*:1]
Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1nc(C(C)C)no1 CC(C)[*:1] Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1nc(no1)[*:1]
Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1nc(C(C)C)no1 Cc1ccc(Cl)cc1[*:1] CC(C)c1noc(CCNC(=O)C(=O)N[*:1])n1
CCCCSC(=O)Nc1ccc(Br)cc1 CCC[*:1] O=C(Nc1ccc(Br)cc1)SC[*:1]
CCCCSC(=O)Nc1ccc(Br)cc1 CCCC[*:1] O=C(Nc1ccc(Br)cc1)S[*:1]
Cc1nc(CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)s1 Cc1nc(C[*:1])c(C)s1 O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N[*:1]
Cc1nc(CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)s1 Cc1nc(c(C)s1)[*:1] O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NC[*:1]
Cc1cc(CSc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)no1 FC(F)(F)[*:1] Cc1cc(CSc2ncccc2C(=O)Nc2ccc(cc2)[*:1])no1
Cc1cc(CSc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)no1 Cc1cc(C[*:1])no1 O=C(Nc1ccc(cc1)C(F)(F)F)c1cccnc1S[*:1]
Cc1cc(CSc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)no1 Cc1cc(no1)[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)c1cccnc1SC[*:1]
Cc1cc(CSc2ncccc2C(=O)Nc2ccc(C(F)(F)F)cc2)no1 Cc1cc(CS[*:1])no1 O=C(Nc1ccc(cc1)C(F)(F)F)c1cccnc1[*:1]
O=C(CN(Cc1ccco1)C(=O)c1ccc(Cl)cc1)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(CN(Cc1ccco1)C(=O)c1ccc(Cl)cc1)N[*:1]
O=C(CN(Cc1ccco1)C(=O)c1ccc(Cl)cc1)Nc1ccccc1Br Clc1ccc(cc1)[*:1] O=C(CN(Cc1ccco1)C(=O)[*:1])Nc1ccccc1Br
O=C(CN(Cc1ccco1)C(=O)c1ccc(Cl)cc1)Nc1ccccc1Br c1coc(c1)C[*:1] O=C(CN(C(=O)c1ccc(Cl)cc1)[*:1])Nc1ccccc1Br
O=C(CN(Cc1ccco1)C(=O)c1ccc(Cl)cc1)Nc1ccccc1Br c1coc(c1)[*:1] O=C(CN(C[*:1])C(=O)c1ccc(Cl)cc1)Nc1ccccc1Br
O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1 c1cncc(c1)[*:1] O=C(NC[C@H](S(=O)(=O)c1ccc(F)cc1)[*:1])c1cccc(Cl)c1
O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1 Fc1ccc(cc1)[*:1] O=C(NC[C@H](c1cccnc1)S(=O)(=O)[*:1])c1cccc(Cl)c1
O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)[*:1]
COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)c2c1 Cc1ccc(cc1)[*:1] COc1ccc2cc(CN[*:1])c(=O)n(CC(=O)Nc3ccc4OCCOc4c3)c2c1
COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)c2c1 c1cc2OCCOc2cc1[*:1] COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)N[*:1])c2c1
COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)c2c1 Cc1ccc(cc1)NC[*:1] COc1ccc2cc(c(=O)n(CC(=O)Nc3ccc4OCCOc4c3)c2c1)[*:1]
COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)c2c1 Cc1ccc(cc1)N[*:1] COc1ccc2cc(C[*:1])c(=O)n(CC(=O)Nc3ccc4OCCOc4c3)c2c1
CSc1ccc2cc(C[NH+](C)Cc3ccno3)c(=O)[nH]c2c1 c1cc(on1)[*:1] CSc1ccc2cc(C[NH+](C)C[*:1])c(=O)[nH]c2c1
CN(Cc1ccccc1)C(=O)CN/C(N)=[NH+]/C[C@@H]1CCCO1 c1ccc(cc1)C[*:1] CN(C(=O)CN/C(N)=[NH+]/C[C@@H]1CCCO1)[*:1]
CN(Cc1ccccc1)C(=O)CN/C(N)=[NH+]/C[C@@H]1CCCO1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CN/C(N)=[NH+]/C[C@@H]1CCCO1
N/C(=N/OC(=O)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 C1CCC(CC1)[*:1] N/C(=N/OC(=O)C[*:1])c1ccc(cc1)[N+](=O)[O-]
N/C(=N/OC(=O)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] N/C(=N/OC(=O)CC1CCCCC1)c1ccc(cc1)[*:1]
N/C(=N/OC(=O)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 C1CCC(CC1)C[*:1] N/C(=N/OC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1ccccc1I)c1ccc(CSC(F)F)o1 FC(F)SC[*:1] O=C(Nc1ccccc1I)c1ccc(o1)[*:1]
O=C(Nc1ccccc1I)c1ccc(CSC(F)F)o1 FC(F)S[*:1] O=C(Nc1ccccc1I)c1ccc(C[*:1])o1
O=C(Nc1ccccc1I)c1ccc(CSC(F)F)o1 FC(F)[*:1] O=C(Nc1ccccc1I)c1ccc(CS[*:1])o1
CC(C)CC[C@@H](C)NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)CC[C@@H](C)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)N[*:1]
CC(C)CC[C@@H](C)NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O
CC(C)CC[C@@H](C)NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O
CC(C)CC[C@@H](C)NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)CC[*:1] C[C@@H](NC(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC(C)CC[C@@H](C)NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC(C)CC[C@@H](C)NC(=O)N[C@H]1CCC[C@H](C1)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)C[NH+](C)C2CCC(C)CC2)cc1 CCN(CC)C(=O)[*:1] CC1CCC(CC1)[NH+](C)CC(=O)Nc1ccc(cc1)[*:1]
COC1CCN(C(=O)NCCCSc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COC1CCN(CC1)C(=O)NCCCS[*:1]
CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 FC(F)(F)[*:1] CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(o1)-c1cccc(c1)[*:1]
CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 CNC(=O)NC(=O)[*:1] C[C@H](OC(=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F)[*:1]
O=C(COC(=O)C1=NNC(=O)CC1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(COC(=O)C1CCC(=O)NN=1)NC[*:1]
CC(C)(CNC(=O)Cc1csc2ccc(Cl)cc12)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)Cc1csc2ccc(Cl)cc12)[*:1]
COc1ccc(OCCCN2C(=O)C3(OCCCO3)c3ccc(Cl)c(Cl)c32)cc1 COc1ccc(cc1)O[*:1] O=C1N(CCC[*:1])c2c(ccc(Cl)c2Cl)C12OCCCO2
COc1ccc(OCCCN2C(=O)C3(OCCCO3)c3ccc(Cl)c(Cl)c32)cc1 COc1ccc(cc1)[*:1] O=C1N(CCCO[*:1])c2c(ccc(Cl)c2Cl)C12OCCCO2
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1ccc(cc1)OC(F)(F)Cl
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1ccc(OC)cc1 FC(F)(Cl)O[*:1] CCN1C(=O)C[C@H](S/C1=N\c1ccc(cc1)OC)C(=O)Nc1ccc(cc1)[*:1]
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1ccc(OC)cc1 FC(F)(Cl)[*:1] CCN1C(=O)C[C@H](S/C1=N\c1ccc(cc1)OC)C(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCc1cccc(c1)C(F)(F)F
Cc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2N2CCOCC2)cc1 FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCOCC1)SC[*:1]
Cc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] FC(F)(F)c1cccc(c1)CSc1nnc(N2CCOCC2)n1[*:1]
Cc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2N2CCOCC2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCOCC1)SCc1cccc(c1)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)c1cccc([N-]S(C)(=O)=O)c1 CC(C)[*:1] C[C@H]1CC[C@@H]([C@@H](C1)NC(=O)c1cccc(c1)[N-]S(C)(=O)=O)[*:1]
C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)S(=O)(=O)N(C)[*:1]
COc1ccc2cc([C@H](C)C(=O)NCc3ccccc3S(=O)(=O)N(C)C)ccc2c1 CN(C)S(=O)(=O)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCc1ccccc1[*:1]
CCc1ncc(CN2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cn1 O=C([O-])[*:1] CCc1ncc(cn1)CN1CCC[C@H](C1)c1cccc(c1)[*:1]
CCc1ncc(CN2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cn1 CCc1ncc(cn1)[*:1] O=C([O-])c1cccc(c1)[C@@H]1CCCN(C1)C[*:1]
N#CCc1ccc(NC(=O)NC[C@H](O)c2ccco2)cc1 O[C@H](c1ccco1)[*:1] N#CCc1ccc(cc1)NC(=O)NC[*:1]
N#CCc1ccc(NC(=O)NC[C@H](O)c2ccco2)cc1 N#CC[*:1] O=C(NC[C@H](O)c1ccco1)Nc1ccc(cc1)[*:1]
N#CCc1ccc(NC(=O)NC[C@H](O)c2ccco2)cc1 c1coc(c1)[*:1] N#CCc1ccc(cc1)NC(=O)NC[C@H](O)[*:1]
COc1cccc(C(=O)OC[C@@H]2CCCN(C(=O)c3ccc(C)o3)C2)n1 COc1cccc(n1)[*:1] Cc1ccc(o1)C(=O)N1CCC[C@@H](COC(=O)[*:1])C1
COc1cccc(C(=O)OC[C@@H]2CCCN(C(=O)c3ccc(C)o3)C2)n1 Cc1ccc(o1)[*:1] COc1cccc(n1)C(=O)OC[C@@H]1CCCN(C1)C(=O)[*:1]
CCC(CC)(CCl)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 O=[N+]([O-])[*:1] CCC(CC)(CCl)Nc1nc2cc(ccc2[nH]1)[*:1]
C[C@H]1CC(=O)[C@H](C)CN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CC(=O)[C@H](C)CN1S(=O)(=O)[*:1]
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)n1 c1ccc2c(cccc2c1)[*:1] Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)n1 Cc1cc(C)nc(n1)[*:1] O=C(Cc1cccc2ccccc12)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)N[C@@H](C)[*:1]
CCCc1c([O-])nc(SCCC(=O)[O-])[nH]c1=O O=C([O-])[*:1] CCCc1c([O-])nc([nH]c1=O)SCC[*:1]
CCCc1c([O-])nc(SCCC(=O)[O-])[nH]c1=O CCC[*:1] O=C([O-])CCSc1nc([O-])c(c(=O)[nH]1)[*:1]
CCCc1c([O-])nc(SCCC(=O)[O-])[nH]c1=O O=C([O-])CC[*:1] CCCc1c([O-])nc([nH]c1=O)S[*:1]
CCCc1c([O-])nc(SCCC(=O)[O-])[nH]c1=O O=C([O-])C[*:1] CCCc1c([O-])nc([nH]c1=O)SC[*:1]
COc1ccc(CC(=O)N(C)[C@@H](C)c2ccccc2Cl)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)CC(=O)N(C)[C@@H](C)[*:1]
Cc1nnc2ccc(Nc3cccc(N(C)C(C)C)c3)nn12 CC(C)N(C)[*:1] Cc1nnc2ccc(nn12)Nc1cccc(c1)[*:1]
Cc1nnc2ccc(Nc3cccc(N(C)C(C)C)c3)nn12 CC(C)[*:1] Cc1nnc2ccc(nn12)Nc1cccc(c1)N(C)[*:1]
Cc1nn2ccccc2c1C(=O)N1CCN(C(=O)NC(C)C)CC1 CC(C)[*:1] Cc1nn2ccccc2c1C(=O)N1CCN(CC1)C(=O)N[*:1]
O/N=C/c1ccc2ccccc2n1 ON=C[*:1] c1ccc2nc(ccc2c1)[*:1]
Cc1ccc([C@@H](C)CNC(=O)N2CC[C@H](C)[C@H](O)C2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NC[C@H](C)[*:1]
CN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 N#Cc1ccc(cc1)[*:1] CN(C(=O)CS[*:1])[C@H]1CCc2ccccc2C1
Cc1nc(N2CCN(C(=O)C3CCCCC3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 C1CCC(CC1)[*:1] Cc1nc(c2c3CC[C@H](C)Cc3sc2n1)N1CCN(CC1)C(=O)[*:1]
Cc1cnc([C@H]([NH2+][C@H](C)c2nc3cc(Cl)ccc3n2C)C2CC2)s1 Cc1cnc(s1)[*:1] C[C@@H]([NH2+][C@H](C1CC1)[*:1])c1nc2cc(Cl)ccc2n1C
Cc1cnc([C@H]([NH2+][C@H](C)c2nc3cc(Cl)ccc3n2C)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H]([NH2+][C@H](C)c1nc2cc(Cl)ccc2n1C)[*:1]
O=C([O-])C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccccc1 O=C([O-])C[*:1] O=C(Nc1ccccc1)[C@H](Cc1ccc(Br)cc1)[*:1]
O=C([O-])C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C([O-])C[C@@H](Cc1ccc(Br)cc1)C(=O)N[*:1]
O=C([O-])C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccccc1 Brc1ccc(cc1)[*:1] O=C([O-])C[C@@H](C[*:1])C(=O)Nc1ccccc1
O=C([O-])C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccccc1 O=C([O-])[*:1] O=C(Nc1ccccc1)[C@H](Cc1ccc(Br)cc1)C[*:1]
Cc1ccncc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 Cc1ccncc1[*:1] O=C(N[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
Cc1ccncc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] Cc1ccncc1NC(=O)N1CCN(CC1)c1cccc(c1)[*:1]
CC[C@@H](C(=O)Nc1cc(C)ccc1F)n1ccc(C(=O)Nc2cc(C)ccc2F)n1 Cc1ccc(F)c(c1)[*:1] CC[C@@H](C(=O)Nc1cc(C)ccc1F)n1ccc(n1)C(=O)N[*:1]
CC[C@@H](C(=O)Nc1cc(C)ccc1F)n1ccc(C(=O)Nc2cc(C)ccc2F)n1 Cc1ccc(F)c(c1)[*:1] CC[C@@H](C(=O)N[*:1])n1ccc(n1)C(=O)Nc1cc(C)ccc1F
C[C@H](Cc1cccs1)N(C)C(=O)N1CCC[C@]1(C)C(=O)[O-] c1csc(c1)C[*:1] C[C@H](N(C)C(=O)N1CCC[C@]1(C)C(=O)[O-])[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)N1CCC[C@]1(C)C(=O)[O-] O=C([O-])[*:1] C[C@H](Cc1cccs1)N(C)C(=O)N1CCC[C@@]1(C)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)N1CCC[C@]1(C)C(=O)[O-] c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)N1CCC[C@]1(C)C(=O)[O-]
Cn1cc([C@H](CNC(=O)N2CCC(c3ccc(F)cc3)CC2)[NH+](C)C)cn1 Fc1ccc(cc1)[*:1] Cn1cc(cn1)[C@H](CNC(=O)N1CCC(CC1)[*:1])[NH+](C)C
Cn1cc([C@H](CNC(=O)N2CCC(c3ccc(F)cc3)CC2)[NH+](C)C)cn1 Cn1cc(cn1)[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC(CC1)c1ccc(F)cc1)[*:1]
CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCC[C@@H]1C[*:1]
CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCC[C@H]1[*:1]
CCCN(CC1CC1)C(=O)[C@H](C)[n+]1ccccc1C CCC[*:1] Cc1cccc[n+]1[C@@H](C)C(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)[C@H](C)[n+]1ccccc1C C1CC1C[*:1] CCCN(C(=O)[C@H](C)[n+]1ccccc1C)[*:1]
CCCN(CC1CC1)C(=O)[C@H](C)[n+]1ccccc1C C1CC1[*:1] CCCN(C[*:1])C(=O)[C@H](C)[n+]1ccccc1C
Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NC[C@](C)(O)c1ccco1 CC(C)(C)C[*:1] Cn1nc(cc1NC(=O)C(=O)NC[C@](C)(O)c1ccco1)[*:1]
Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NC[C@](C)(O)c1ccco1 c1coc(c1)[*:1] Cn1nc(cc1NC(=O)C(=O)NC[C@](C)(O)[*:1])CC(C)(C)C
Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NC[C@](C)(O)c1ccco1 CC(C)(C)[*:1] Cn1nc(cc1NC(=O)C(=O)NC[C@](C)(O)c1ccco1)C[*:1]
CCc1ccc(C(=O)N[C@H](C)C(C)=O)o1 CC(=O)[C@@H](C)[*:1] CCc1ccc(o1)C(=O)N[*:1]
CCc1ccc(C(=O)N[C@H](C)C(C)=O)o1 CC(=O)[*:1] CCc1ccc(o1)C(=O)N[C@H](C)[*:1]
CC[C@@H](C)NC(=O)Cn1cccc1C(=O)[O-] CC[C@@H](C)[*:1] O=C(Cn1cccc1C(=O)[O-])N[*:1]
CC[C@@H](C)NC(=O)Cn1cccc1C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)NC(=O)Cn1cccc1[*:1]
C[C@H](Cn1cncn1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 c1ncn(n1)[*:1] C[C@H](C[*:1])NC(=O)Nc1cccc(c1)C(=O)c1ccccc1
C[C@H](Cn1cncn1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 O=C(c1ccccc1)[*:1] C[C@H](Cn1cncn1)NC(=O)Nc1cccc(c1)[*:1]
C[C@H](Cn1cncn1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H](Cn1cncn1)NC(=O)Nc1cccc(c1)C(=O)[*:1]
C[C@H](Cn1cncn1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 c1ncn(C[*:1])n1 C[C@H](NC(=O)Nc1cccc(c1)C(=O)c1ccccc1)[*:1]
Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)c1 Clc1cccc(c1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)SC[*:1]
Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)c1 Clc1cccc(c1)CS[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)c1 Clc1cccc(c1)C[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)S[*:1]
Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)c1 Cc1cc(C)cc(c1)[*:1] O=C1C[C@H](C(=O)N[*:1])c2c(nc([nH]c2=O)SCc2cccc(Cl)c2)N1
CC(=O)O[C@H]1CC[C@@H]2[C@@H]3C(=O)C=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C CC(=O)O[*:1] CC(=O)O[C@H]1CC[C@@H]2[C@@H]3C(=O)C=C4C[C@H](CC[C@]4(C)[C@@H]3CC[C@]12C)[*:1]
CC(=O)O[C@H]1CC[C@@H]2[C@@H]3C(=O)C=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C CC(=O)O[*:1] CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@H]4CC[C@@H]([C@@]4(C)CC[C@H]32)[*:1])C1
O=C1C[C@@H](c2ccccc2)N1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=C1C[C@@H](c2ccccc2)N1CN1CCO[C@H](C1)[*:1]
O=C1C[C@@H](c2ccccc2)N1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 c1ccc(cc1)[*:1] O=C1C[C@@H](N1CN1CCO[C@@H](C1)c1ccc(F)c(F)c1)[*:1]
CCCn1c(=O)n(C)c(=O)c2c1ncn2C CCC[*:1] Cn1c(=O)c2c(ncn2C)n(c1=O)[*:1]
CCc1nnc(C[NH+](C)Cc2ccc3c(c2)OCCO3)o1 CCc1nnc(o1)[*:1] C[NH+](Cc1ccc2OCCOc2c1)C[*:1]
Cc1c(CNC(=O)Nc2ccc(OCCC(N)=O)cc2)cnn1C Cc1c(cnn1C)C[*:1] NC(=O)CCOc1ccc(cc1)NC(=O)N[*:1]
Cc1c(CNC(=O)Nc2ccc(OCCC(N)=O)cc2)cnn1C NC(=O)CCO[*:1] Cc1c(cnn1C)CNC(=O)Nc1ccc(cc1)[*:1]
Cc1c(CNC(=O)Nc2ccc(OCCC(N)=O)cc2)cnn1C NC(=O)[*:1] Cc1c(cnn1C)CNC(=O)Nc1ccc(cc1)OCC[*:1]
Cc1c(CNC(=O)Nc2ccc(OCCC(N)=O)cc2)cnn1C Cc1c(cnn1C)[*:1] NC(=O)CCOc1ccc(cc1)NC(=O)NC[*:1]
Cc1c(CNC(=O)Nc2ccc(OCCC(N)=O)cc2)cnn1C NC(=O)CC[*:1] Cc1c(cnn1C)CNC(=O)Nc1ccc(cc1)O[*:1]
Cc1c(CNC(=O)Nc2ccc(OCCC(N)=O)cc2)cnn1C NC(=O)C[*:1] Cc1c(cnn1C)CNC(=O)Nc1ccc(cc1)OC[*:1]
Cc1ccccc1OCCN(C)C(=O)Cn1ccnc1 c1cn(cn1)[*:1] Cc1ccccc1OCCN(C)C(=O)C[*:1]
Cc1ccccc1OCCN(C)C(=O)Cn1ccnc1 c1cn(cn1)C[*:1] Cc1ccccc1OCCN(C)C(=O)[*:1]
CC(=O)[C@@H](Cc1cc(Cl)ccc1Cl)SC#N N#CS[*:1] CC(=O)[C@@H](Cc1cc(Cl)ccc1Cl)[*:1]
CC(=O)[C@@H](Cc1cc(Cl)ccc1Cl)SC#N CC(=O)[*:1] N#CS[C@H](Cc1cc(Cl)ccc1Cl)[*:1]
COc1ccc(Cl)cc1NC(=O)c1sc2ncn(C[C@@H]3CCCO3)c(=O)c2c1C COc1ccc(Cl)cc1[*:1] Cc1c(sc2ncn(C[C@@H]3CCCO3)c(=O)c12)C(=O)N[*:1]
CCN(Cc1nc(N)nc(N(C)C)n1)c1cccc(F)c1 CN(C)[*:1] CCN(Cc1nc(N)nc(n1)[*:1])c1cccc(F)c1
CCN(Cc1nc(N)nc(N(C)C)n1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(Cc1nc(N)nc(n1)N(C)C)[*:1]
COc1cc(OC)c([C@@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC O=[N+]([O-])[*:1] COc1cc(OC)c(cc1OC)[C@@H]1SCCN1C(=O)c1ccc(cc1)[*:1]
COc1cc(OC)c([C@@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC O=[N+]([O-])c1ccc(cc1)[*:1] COc1cc(OC)c(cc1OC)[C@@H]1SCCN1C(=O)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1 Cc1noc(C)c1[*:1] O=C(O[C@@H]1CCOC1=O)c1ccc(cc1)OC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1 Cc1noc(C)c1C[*:1] O=C(O[C@@H]1CCOC1=O)c1ccc(cc1)O[*:1]
COC(=O)c1cc(CN(C)C(=O)C2(c3ccc(F)cc3)CCCC2)oc1C Fc1ccc(cc1)[*:1] COC(=O)c1cc(CN(C)C(=O)C2(CCCC2)[*:1])oc1C
COC(=O)c1cc(CN(C)C(=O)C2(c3ccc(F)cc3)CCCC2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CN(C)C(=O)C1(CCCC1)c1ccc(F)cc1
CO[C@@H](C)c1noc(-c2cc(N)ccc2F)n1 CO[C@@H](C)[*:1] Nc1ccc(F)c(c1)-c1nc(no1)[*:1]
CC(C)(C)c1cc(-c2nn3c(-c4cccc(F)c4)nnc3s2)n[nH]1 Fc1cccc(c1)[*:1] CC(C)(C)c1cc(n[nH]1)-c1nn2c(nnc2s1)[*:1]
CC(C)(C)c1cc(-c2nn3c(-c4cccc(F)c4)nnc3s2)n[nH]1 CC(C)(C)[*:1] Fc1cccc(c1)-c1nnc2sc(nn12)-c1cc([nH]n1)[*:1]
C[C@H]1CCCN(c2cc(C(N)=O)ccn2)C1 NC(=O)[*:1] C[C@H]1CCCN(C1)c1cc(ccn1)[*:1]
O=C(NCCCN1C(=O)CCC1=O)c1ncccc1C(F)(F)F O=C1CCC(=O)N1[*:1] O=C(NCCC[*:1])c1ncccc1C(F)(F)F
O=C(NCCCN1C(=O)CCC1=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCCCN1C(=O)CCC1=O)c1ncccc1[*:1]
CCC1(CNC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)CCCC1 CS(=O)(=O)[*:1] CCC1(CCCC1)CNC(=O)N[C@H](C[*:1])c1ccccc1
CCC1(CNC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)CCCC1 CS(=O)(=O)C[*:1] CCC1(CCCC1)CNC(=O)N[C@H](c1ccccc1)[*:1]
CCC1(CNC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)CCCC1 CCC1(CCCC1)[*:1] CS(=O)(=O)C[C@@H](NC(=O)NC[*:1])c1ccccc1
CCC1(CNC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)CCCC1 CCC1(CCCC1)C[*:1] CS(=O)(=O)C[C@@H](NC(=O)N[*:1])c1ccccc1
CCC1(CNC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)CCCC1 c1ccc(cc1)[*:1] CCC1(CCCC1)CNC(=O)N[C@H](CS(C)(=O)=O)[*:1]
COc1ccc(Cc2noc(CCC[NH3+])n2)cn1 [NH3+]CC[*:1] COc1ccc(cn1)Cc1noc(C[*:1])n1
COc1ccc(Cc2noc(CCC[NH3+])n2)cn1 [NH3+]CCC[*:1] COc1ccc(cn1)Cc1noc(n1)[*:1]
CCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)cc1 CCc1ccc(cc1)[*:1] CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
O=C(COc1ccccc1)NNC(=O)C1CC1 C1CC1[*:1] O=C(COc1ccccc1)NNC(=O)[*:1]
CCCCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 CCCC[*:1] O=C(C1CC[NH+](CC1)C[*:1])N1CCCCC1
CCCCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 CCCCC[*:1] O=C(C1CC[NH+](CC1)[*:1])N1CCCCC1
CCCCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 CCC[*:1] O=C(C1CC[NH+](CC1)CC[*:1])N1CCCCC1
CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(COC(=O)[C@H]1CC(=O)N(C1)[*:1])Nc1ccc(Cl)c(Cl)c1
CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 Clc1ccc(cc1Cl)[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)OCC(=O)N[*:1]
Cn1ccnc1Sc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 C1CC[C@@H](OC1)[*:1] Cn1ccnc1Sc1ccc(cc1)[N-]S(=O)(=O)C[*:1]
Cn1ccnc1Sc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 Cn1ccnc1[*:1] O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(cc1)S[*:1]
Cn1ccnc1Sc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 Cn1ccnc1S[*:1] O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(cc1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 C1CN(CCO1)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)NNC(=O)c1csc(n1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)NNC(=O)c1csc(n1)N1CCOCC1
CN(Cc1c(F)cccc1Cl)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 Fc1cccc(Cl)c1C[*:1] CN(C(=O)NNC(=O)c1csc(n1)N1CCOCC1)[*:1]
CN1/C(=C2\S/C(=N\c3ncn[nH]3)N(Cc3ccccc3)C2=O)Sc2ccccc21 c1n[nH]c(n1)[*:1] CN1/C(Sc2ccccc21)=C1\SC(=N[*:1])N(Cc2ccccc2)C1=O
CN1/C(=C2\S/C(=N\c3ncn[nH]3)N(Cc3ccccc3)C2=O)Sc2ccccc21 c1ccc(cc1)C[*:1] CN1/C(Sc2ccccc21)=C1\S/C(=N\c2ncn[nH]2)N(C1=O)[*:1]
CN1/C(=C2\S/C(=N\c3ncn[nH]3)N(Cc3ccccc3)C2=O)Sc2ccccc21 c1ccc(cc1)[*:1] CN1/C(Sc2ccccc21)=C1\S/C(=N\c2ncn[nH]2)N(C[*:1])C1=O
C[C@H]1C[C@H]1NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] C[C@H]1C[C@H]1NC(=O)Nc1ccc(cc1)C(=O)N(C)[*:1]
CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1[*:1]
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1C c1ccc2cc(ccc2c1)[*:1] Cc1cccc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])c1C
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=[N+]([O-])c1ccc2oc(NC[C@H]3CCC[C@@H]3CO)nc2c1 O=[N+]([O-])[*:1] OC[C@H]1CCC[C@@H]1CNc1nc2cc(ccc2o1)[*:1]
Nn1c(N/N=C/c2cccc(Br)c2)nnc1SCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Nn1c(nnc1S[*:1])N/N=C/c1cccc(Br)c1
Nn1c(N/N=C/c2cccc(Br)c2)nnc1SCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nn1c(nnc1SC[*:1])N/N=C/c1cccc(Br)c1
Nn1c(N/N=C/c2cccc(Br)c2)nnc1SCc1ccc(Cl)cc1 Brc1cccc(c1)[*:1] Nn1c(nnc1SCc1ccc(Cl)cc1)NN=C[*:1]
Cc1ccc2nc(CSCC(=O)N(C)c3ccccc3)cn2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(cn2c1)CSCC(=O)N(C)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1C(C)C CC(C)[*:1] COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1[*:1]
Cc1ccccc1OC[C@@H](O)Cn1c(N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C CC1CCN(CC1)[*:1] Cc1ccccc1OC[C@@H](O)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
Cc1ccccc1OC[C@@H](O)Cn1c(N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C Cc1ccccc1OC[*:1] CC1CCN(CC1)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)[*:1]
Cc1ccccc1OC[C@@H](O)Cn1c(N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C Cc1ccccc1O[*:1] CC1CCN(CC1)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)C[*:1]
Cc1ccccc1OC[C@@H](O)Cn1c(N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C Cc1ccccc1[*:1] CC1CCN(CC1)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)CO[*:1]
COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1[*:1]
COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 COC(=O)[*:1] COc1ccc(cc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(cc1)[*:1]
Cc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccncc4)cc3c2=O)cc1 O=C(N[*:1])c1ccncc1 Cc1ccc(cc1)-n1c(C)nc2ccc(cc2c1=O)[*:1]
Cc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccncc4)cc3c2=O)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)-n1c(C)nc2ccc(cc2c1=O)NC(=O)[*:1]
Cc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccncc4)cc3c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1nc2ccc(cc2c(=O)n1[*:1])NC(=O)c1ccncc1
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(NS(C)(=O)=O)CC1 CC(C)C[*:1] C[NH+](C)C[C@@H](NC(=O)N1CCC(CC1)NS(C)(=O)=O)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(NS(C)(=O)=O)CC1 CC(C)[*:1] C[NH+](C)C[C@H](C[*:1])NC(=O)N1CCC(CC1)NS(C)(=O)=O
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(NS(C)(=O)=O)CC1 CS(=O)(=O)N[*:1] CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(CC1)[*:1]
COC[C@@](C)(CCO)NC(=O)Nc1cnc2[nH]nc(C)c2c1 COC[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@@](C)(CCO)[*:1]
COC[C@@](C)(CCO)NC(=O)Nc1cnc2[nH]nc(C)c2c1 OCC[*:1] COC[C@@](C)(NC(=O)Nc1cnc2[nH]nc(C)c2c1)[*:1]
CC1(C)[C@@H](C#N)[C@]1(C#N)C(N)=O NC(=O)[*:1] CC1(C)[C@@H](C#N)[C@@]1(C#N)[*:1]
CCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1OC(F)F FC(F)[*:1] CCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1O[*:1]
CCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1OC(F)F FC(F)O[*:1] CCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1[*:1]
CCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1OC(F)F c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)Nc1ccc(F)cc1OC(F)F
CCN(Cc1ccccn1)C(=O)Nc1ccc(F)cc1OC(F)F c1ccc(C[*:1])nc1 CCN(C(=O)Nc1ccc(F)cc1OC(F)F)[*:1]
Cc1ccc(C)c(N2N=C(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CCC2=O)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
Cc1ccc(C)c(N2N=C(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CCC2=O)c1 Cc1ccc(C)c(c1)[*:1] Cc1c(NC(=O)C2CCC(=O)N(N=2)[*:1])c(=O)n(-c2ccccc2)n1C
CC(C)Cc1nnc(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)s1 CC(C)C[*:1] CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1nnc(s1)[*:1]
CC(C)Cc1nnc(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)s1 CC(C)(C)C[*:1] CC(C)Cc1nnc(NC(=O)[C@H]2CSCN2C(=O)[*:1])s1
CC(C)Cc1nnc(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)s1 CC(C)[*:1] CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)s1 CC(C)(C)[*:1] CC(C)Cc1nnc(NC(=O)[C@H]2CSCN2C(=O)C[*:1])s1
O=C([O-])CCc1cc2n(n1)CCN(Cc1ccc3[nH]ccc3c1)C2 O=C([O-])C[*:1] c1cc2cc(ccc2[nH]1)CN1CCn2nc(cc2C1)C[*:1]
O=C([O-])CCc1cc2n(n1)CCN(Cc1ccc3[nH]ccc3c1)C2 O=C([O-])[*:1] c1cc2cc(ccc2[nH]1)CN1CCn2nc(cc2C1)CC[*:1]
O=C([O-])CCc1cc2n(n1)CCN(Cc1ccc3[nH]ccc3c1)C2 O=C([O-])CC[*:1] c1cc2cc(ccc2[nH]1)CN1CCn2nc(cc2C1)[*:1]
CCCc1nc2ccccc2n1[C@@H](C)C(=O)NCCc1ncnn1C Cn1ncnc1C[*:1] CCCc1nc2ccccc2n1[C@@H](C)C(=O)NC[*:1]
CCCc1nc2ccccc2n1[C@@H](C)C(=O)NCCc1ncnn1C Cn1ncnc1CC[*:1] CCCc1nc2ccccc2n1[C@@H](C)C(=O)N[*:1]
CCCc1nc2ccccc2n1[C@@H](C)C(=O)NCCc1ncnn1C CCC[*:1] C[C@@H](C(=O)NCCc1ncnn1C)n1c(nc2ccccc21)[*:1]
CCCc1nc2ccccc2n1[C@@H](C)C(=O)NCCc1ncnn1C Cn1ncnc1[*:1] CCCc1nc2ccccc2n1[C@@H](C)C(=O)NCC[*:1]
CCOC(=O)C1=C(C)C(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)=N[C@@H]1C CCOC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)N1CCC[C@H](C1)c1nc(C)no1
CCOC(=O)C1=C(C)C(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)=N[C@@H]1C Cc1noc(n1)[*:1] CCOC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)N1CCC[C@@H](C1)[*:1]
CCc1nnc(NC(=O)NCCn2c(C3CC3)n[nH]c2=S)s1 CCc1nnc(s1)[*:1] O=C(NCCn1c(n[nH]c1=S)C1CC1)N[*:1]
CCc1nnc(NC(=O)NCCn2c(C3CC3)n[nH]c2=S)s1 C1CC1[*:1] CCc1nnc(NC(=O)NCCn2c(n[nH]c2=S)[*:1])s1
COc1ccnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 Clc1ccc(cc1)[*:1] COc1ccnc(c1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 COc1ccnc(c1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
COc1cccc(-c2csc(NC(=O)[C@@]3(C)Oc4ccc(C)cc4N(C)C3=O)n2)c1 COc1cccc(c1)[*:1] Cc1ccc2O[C@](C)(C(=O)Nc3nc(cs3)[*:1])C(=O)N(C)c2c1
CSc1cccc(NC(=O)Cc2c(C)nc3cc(-c4ccccc4)nn3c2C)c1 CSc1cccc(c1)[*:1] Cc1nc2cc(nn2c(C)c1CC(=O)N[*:1])-c1ccccc1
CSc1cccc(NC(=O)Cc2c(C)nc3cc(-c4ccccc4)nn3c2C)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)Cc1c(C)nc2cc(nn2c1C)[*:1]
C[C@@H]1CCC2=C3C(=O)N=C(CN4CCC(C(N)=O)CC4)N=C3S[C@@H]2C1 NC(=O)[*:1] C[C@@H]1CCC2=C3C(=O)N=C(CN4CCC(CC4)[*:1])N=C3S[C@@H]2C1
CC[C@H](C)n1ncc(C(=O)N[C@H]2CCc3c(OC)cccc32)c1C1CC1 CC[C@H](C)[*:1] COc1cccc2c1CC[C@@H]2NC(=O)c1cnn(c1C1CC1)[*:1]
CC[C@H](C)n1ncc(C(=O)N[C@H]2CCc3c(OC)cccc32)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)N[C@H]2CCc3c(cccc32)OC)c1[*:1]
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](C1)[*:1]
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](Cc2ccccc2)C1 CC(C)(C)[*:1] O=C([O-])[C@@H]1CN(C[C@@H]1Cc1ccccc1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](Cc2ccccc2)C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1C[C@@H]([C@@H](Cc2ccccc2)C1)[*:1]
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@H](C1)C[*:1]
Cc1cccc([C@H]2CCCN2C(=O)NCCC(=O)N2CCCC2)c1 Cc1cccc(c1)[*:1] O=C(CCNC(=O)N1CCC[C@@H]1[*:1])N1CCCC1
Cc1cccc([C@H]2CCCN2C(=O)NCCC(=O)N2CCCC2)c1 O=C(C[*:1])N1CCCC1 Cc1cccc(c1)[C@H]1CCCN1C(=O)NC[*:1]
Cc1cccc([C@H]2CCCN2C(=O)NCCC(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)NCC[*:1]
CC(C)n1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 CC(C)[*:1] O=C(NCc1[nH+]ccn1[*:1])[C@@H]1CCC(=O)N(CC2CCCCC2)C1
CC(C)n1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 C1CCC(CC1)C[*:1] CC(C)n1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)N(C1)[*:1]
CC(C)n1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 C1CCC(CC1)[*:1] CC(C)n1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)N(C1)C[*:1]
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(C)C)c(OC)c1 CC(C)[*:1] CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O[*:1])c(c1)OC
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(C)C)c(OC)c1 CCOC(=O)[*:1] COc1cc(ccc1OC(C)C)[C@H]1NC(=O)NC(C)=C1[*:1]
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(C)C)c(OC)c1 CC(C)O[*:1] CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(c(c1)OC)[*:1]
Cc1nc(C)c(C(=O)N(C)C2CCN(c3cccc(F)c3)CC2)s1 Fc1cccc(c1)[*:1] Cc1nc(C)c(s1)C(=O)N(C)C1CCN(CC1)[*:1]
Cc1nc(C)c(C(=O)N(C)C2CCN(c3cccc(F)c3)CC2)s1 Cc1nc(C)c(s1)[*:1] CN(C(=O)[*:1])C1CCN(CC1)c1cccc(F)c1
O=C(C=C1CCSCC1)NNC(=S)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C=C1CCSCC1)NNC(=S)N[*:1]
CC(C)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 CC(C)[*:1] O=C(c1cc2COc3ccccc3-c2s1)N1CCN(CC1)[*:1]
CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)NCc1ccc(C)cc1 CNc1snc(C)c1[*:1] Cc1ccc(cc1)CNC(=O)[C@H](C)OC(=O)[*:1]
CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N[*:1]
CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)NC[*:1]
CCN[C@@]1(C#N)CC[C@@H](N2CCC(C(F)(F)F)CC2)C1 CCN[*:1] N#C[C@]1(CC[C@H](C1)N1CCC(CC1)C(F)(F)F)[*:1]
CCN[C@@]1(C#N)CC[C@@H](N2CCC(C(F)(F)F)CC2)C1 FC(F)(F)[*:1] CCN[C@@]1(C#N)CC[C@H](C1)N1CCC(CC1)[*:1]
Cc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CC(C)(C)C)c2)c1 CC(C)(C)[*:1] Cc1cccc(c1)N1C(=O)CS[C@H]1c1cccc(c1)NC(=O)C[*:1]
Cc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CC(C)(C)C)c2)c1 CC(C)(C)C[*:1] Cc1cccc(c1)N1C(=O)CS[C@H]1c1cccc(c1)NC(=O)[*:1]
Cc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CC(C)(C)C)c2)c1 Cc1cccc(c1)[*:1] CC(C)(C)CC(=O)Nc1cccc(c1)[C@@H]1SCC(=O)N1[*:1]
Cc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CC(C)(C)C)c2)c1 CC(C)(C)CC(=O)N[*:1] Cc1cccc(c1)N1C(=O)CS[C@H]1c1cccc(c1)[*:1]
COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(OC)c(Cl)c3)CC2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)C1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(OC)c(Cl)c3)CC2)cc1 COc1ccc(cc1Cl)[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)N[*:1]
CCCN(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)C(=O)N(C[C@H]1C=c2ccccc2=[NH+]C1=O)[*:1]
CCCN(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCN(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NCCc1c[nH]c[nH+]1)[C@@H]2c1ccco1 c1coc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NCCc1c[nH]c[nH+]1)[C@H]2[*:1]
CCOC(OCC)C(=O)c1cnn(C)c1 CCO[*:1] CCOC(C(=O)c1cnn(C)c1)[*:1]
C=CCCO[C@@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 C=CCC[*:1] C[C@H](O[*:1])C(=O)N[C@H](C)c1cccc(C#N)c1
C=CCCO[C@@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 C=CC[*:1] C[C@H](OC[*:1])C(=O)N[C@H](C)c1cccc(C#N)c1
C=CCCO[C@@H](C)C(=O)N[C@H](C)c1cccc(C#N)c1 C=CCCO[*:1] C[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CN(C)CCO2)cc1 Cc1ccc(cc1)[*:1] CN1CCO[C@@H](C1)C(=O)N(C)CC(=O)N[*:1]
COc1ccccc1CNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2F)CC1 Fc1ccccc1[*:1] COc1ccccc1CNC(=O)C1CCN(CC1)c1[nH+]c2ccccc2n1C[*:1]
COc1ccccc1CNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2F)CC1 COc1ccccc1C[*:1] O=C(N[*:1])C1CCN(CC1)c1[nH+]c2ccccc2n1Cc1ccccc1F
COc1ccccc1CNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] COc1ccccc1CNC(=O)C1CCN(CC1)c1[nH+]c2ccccc2n1[*:1]
COc1ccccc1CNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2F)CC1 COc1ccccc1[*:1] O=C(NC[*:1])C1CCN(CC1)c1[nH+]c2ccccc2n1Cc1ccccc1F
COc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)cc1 O=S(=O)(c1ccccc1)[*:1] COc1ccc(cc1)NC(=O)Cn1cc(c(=O)c2cc(Cl)ccc21)[*:1]
COc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)cc1 COc1ccc(cc1)[*:1] O=C(Cn1cc(c(=O)c2cc(Cl)ccc21)S(=O)(=O)c1ccccc1)N[*:1]
COc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Cn1cc(c(=O)c2cc(Cl)ccc21)S(=O)(=O)[*:1]
COc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)cc1 COc1ccc(cc1)NC(=O)[*:1] O=c1c(cn(C[*:1])c2ccc(Cl)cc12)S(=O)(=O)c1ccccc1
CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 CC(C)[*:1] O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)Nc2c(C)cccc2C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)NC(=O)Nc1c(C)cccc1[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)Nc2c(C)cccc2C(C)C)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1NC(=O)N[C@@H](C)[C@H](O)[*:1])C(C)C
CC(=O)Nc1on[n+](C2CCCCCC2)c1C(C)=O CC(=O)[*:1] CC(=O)Nc1on[n+](c1[*:1])C1CCCCCC1
CC(=O)Nc1on[n+](C2CCCCCC2)c1C(C)=O CC(=O)N[*:1] CC(=O)c1c(on[n+]1C1CCCCCC1)[*:1]
CCN(c1cccc(F)c1)c1cc(C)c(N)c(C(=O)[O-])c1 O=C([O-])[*:1] CCN(c1cccc(F)c1)c1cc(C)c(N)c(c1)[*:1]
CCN(c1cccc(F)c1)c1cc(C)c(N)c(C(=O)[O-])c1 Fc1cccc(c1)[*:1] CCN(c1cc(C)c(N)c(c1)C(=O)[O-])[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(OC)c(F)c1 CC[C@H](C)NC(=O)[*:1] COc1ccc(cc1F)CNC(=O)N[C@@H](C)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(OC)c(F)c1 CC[C@H](C)[*:1] COc1ccc(cc1F)CNC(=O)N[C@@H](C)C(=O)N[*:1]
O=C(NCC[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)c1ccc2c(c1)OCO2 O=[N+]([O-])c1cc(ccc1Cl)[*:1] O=C(NCC[NH+]1CCN(CC1)C(=O)[*:1])c1ccc2OCOc2c1
O=C(NCC[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(c1ccc(Cl)c(c1)[N+](=O)[O-])N1CC[NH+](CCNC(=O)[*:1])CC1
O=C(NCC[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)c1ccc2c(c1)OCO2 O=[N+]([O-])[*:1] O=C(NCC[NH+]1CCN(CC1)C(=O)c1ccc(Cl)c(c1)[*:1])c1ccc2OCOc2c1
C[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4CC[C@@H]3C4)csc2C1 O=C([O-])[*:1] C[C@@H]1CCc2c(csc2C1)C(=O)NNC(=O)[C@H]1[C@@H]([C@H]2CC[C@@H]1C2)[*:1]
CNC(=O)c1ccc(NC(=O)N[C@H]2CCCc3c2cnn3C)cc1 CNC(=O)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1ccc(cc1)[*:1]
CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1cccc(C)c1 COc1ccc(cc1)[*:1] CCCN(C(=O)[C@@H]1CC(=O)N(C1)[*:1])c1cccc(C)c1
CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1cccc(C)c1 CCC[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N(c1cccc(C)c1)[*:1]
CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCCN(C(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)OC)[*:1]
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)CC(=O)N1 CCOC(=O)[*:1] Cc1ccccc1[C@H]1CC(=O)NC(SC[*:1])=C1C#N
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)CC(=O)N1 CCOC(=O)C[*:1] Cc1ccccc1[C@H]1CC(=O)NC(S[*:1])=C1C#N
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)CC(=O)N1 CCOC(=O)CS[*:1] Cc1ccccc1[C@H]1CC(=O)NC(=C1C#N)[*:1]
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)CC(=O)N1 Cc1ccccc1[*:1] CCOC(=O)CSC1NC(=O)C[C@H](C=1C#N)[*:1]
CC[C@@H]1CCc2sc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2C1 O=S(=O)(N1CCOCC1)[*:1] CC[C@@H]1CCc2sc(cc2C1)C(=O)Nc1cccc(c1)[*:1]
Cc1c(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)oc2ccccc12 FC(F)(F)[*:1] Cc1c(oc2ccccc12)C(=O)N(C)Cc1nc(cs1)[*:1]
CC(=O)N1CCN([C@@H](C)C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)[C@@H](C)C(=O)Nc1c(cccc1[*:1])C(C)C
O=[N+]([O-])c1ccc(NCc2nncn2-c2ccccc2)cc1OC(F)F FC(F)O[*:1] O=[N+]([O-])c1ccc(cc1[*:1])NCc1nncn1-c1ccccc1
O=[N+]([O-])c1ccc(NCc2nncn2-c2ccccc2)cc1OC(F)F FC(F)[*:1] O=[N+]([O-])c1ccc(cc1O[*:1])NCc1nncn1-c1ccccc1
O=[N+]([O-])c1ccc(NCc2nncn2-c2ccccc2)cc1OC(F)F c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1OC(F)F)NCc1nncn1[*:1]
O=[N+]([O-])c1ccc(NCc2nncn2-c2ccccc2)cc1OC(F)F O=[N+]([O-])[*:1] FC(F)Oc1cc(ccc1[*:1])NCc1nncn1-c1ccccc1
CCC(=O)c1ccc(OC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 CCC(=O)[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)Oc1ccc(cc1)[*:1]
CSc1cccc(NC(=O)C[NH2+][C@@H](C)C(C)(C)C)c1 CC(C)(C)[*:1] CSc1cccc(c1)NC(=O)C[NH2+][C@@H](C)[*:1]
COC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 COC(=O)[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)OC[*:1]
COC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 c1ccc(cc1)[*:1] COC(=O)COC(=O)c1ccc2c(c1)nc(C)n2[*:1]
COC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 COC(=O)C[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)O[*:1]
COC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 COC(=O)COC(=O)[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)[*:1]
Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)sc2c1 CN(C1CC1)S(=O)(=O)[*:1] Cc1cc(C)c2nc(sc2c1)-n1nc(C)cc1NC(=O)c1ccc(cc1)[*:1]
Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)sc2c1 Cc1cc(C)c2nc(sc2c1)[*:1] Cc1cc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C2CC2)n(n1)[*:1]
Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)sc2c1 C1CC1[*:1] Cc1cc(C)c2nc(sc2c1)-n1nc(C)cc1NC(=O)c1ccc(cc1)S(=O)(=O)N(C)[*:1]
C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)ccc1Cl c1ccc(cc1)[*:1] C=CCN(S(=O)(=O)c1cc(ccc1Cl)C(=O)N1C[C@H](C)O[C@H](C)C1)[*:1]
C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)ccc1Cl C=CC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N(c1ccccc1)[*:1]
CC[C@H](C)CN(CC)C(=O)Cn1cc(N)cn1 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)Cn1cc(N)cn1
CC[C@H](C)CN(CC)C(=O)Cn1cc(N)cn1 CC[C@H](C)C[*:1] CCN(C(=O)Cn1cc(N)cn1)[*:1]
Cc1c(C(=O)N(Cc2ccccc2)[C@@H](C)CCO)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N(C[*:1])[C@@H](C)CCO
Cc1c(C(=O)N(Cc2ccccc2)[C@@H](C)CCO)cnn1-c1ccccc1 c1ccc(cc1)C[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N([C@@H](C)CCO)[*:1]
Cc1c(C(=O)N(Cc2ccccc2)[C@@H](C)CCO)cnn1-c1ccccc1 OCC[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N(Cc1ccccc1)[C@@H](C)[*:1]
Cc1c(C(=O)N(Cc2ccccc2)[C@@H](C)CCO)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N(Cc1ccccc1)[C@@H](C)CCO
CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C CCC[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(C)c(c1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C CCC[C@@H](C)NC(=O)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(C)c(c1)[*:1]
CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C Cc1ccc(cc1)[*:1] CCC[C@@H](C)NC(=O)c1cc(ccc1C)S(=O)(=O)N[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Cn3ccnc3)cc1)CC2)c1ccco1 O=C(N[*:1])c1ccco1 O=C(c1ccc(cc1)Cn1ccnc1)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Cn3ccnc3)cc1)CC2)c1ccco1 c1coc(c1)[*:1] O=C(c1ccc(cc1)Cn1ccnc1)N1CCc2nc(NC(=O)[*:1])sc2C1
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Cn3ccnc3)cc1)CC2)c1ccco1 c1cn(cn1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1ccc(cc1)C[*:1])c1ccco1
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(Cn3ccnc3)cc1)CC2)c1ccco1 c1cn(cn1)C[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1ccc(cc1)[*:1])c1ccco1
O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Oc2nccs2)cc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1ccc(cc1)Oc1nccs1
O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Oc2nccs2)cc1 c1csc(n1)[*:1] O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(cc1)O[*:1]
O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Oc2nccs2)cc1 c1csc(n1)O[*:1] O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Oc2nccs2)cc1 O=C(Nc1ccccc1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)Oc1nccs1
CCN(c1nc(C(C)C)c(C[NH3+])s1)C(C)C CC(C)[*:1] CCN(c1nc(c(C[NH3+])s1)C(C)C)[*:1]
CCN(c1nc(C(C)C)c(C[NH3+])s1)C(C)C CC(C)[*:1] CCN(c1nc(c(C[NH3+])s1)[*:1])C(C)C
NC(=S)Cc1ccc(S(=O)(=O)NCc2cscn2)cc1 c1nc(cs1)[*:1] NC(=S)Cc1ccc(cc1)S(=O)(=O)NC[*:1]
NC(=S)Cc1ccc(S(=O)(=O)NCc2cscn2)cc1 NC(=S)[*:1] O=S(=O)(NCc1cscn1)c1ccc(cc1)C[*:1]
NC(=S)Cc1ccc(S(=O)(=O)NCc2cscn2)cc1 c1nc(cs1)C[*:1] NC(=S)Cc1ccc(cc1)S(=O)(=O)N[*:1]
NC(=S)Cc1ccc(S(=O)(=O)NCc2cscn2)cc1 NC(=S)C[*:1] O=S(=O)(NCc1cscn1)c1ccc(cc1)[*:1]
C[C@@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](OC(=O)c1cn(nn1)-c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccccn1 C[C@@H](c1ccccn1)[*:1] O=C(O[*:1])c1cn(nn1)-c1cccc(c1)[N+](=O)[O-]
C[C@@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccccn1 O=[N+]([O-])[*:1] C[C@@H](OC(=O)c1cn(nn1)-c1cccc(c1)[*:1])c1ccccn1
CCOC(=O)C[C@@H](C)CNC(=O)c1cccnc1C CCOC(=O)[*:1] Cc1ncccc1C(=O)NC[C@H](C)C[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)c1cccnc1C CCOC(=O)C[*:1] Cc1ncccc1C(=O)NC[C@H](C)[*:1]
Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCSCC4)cc3n2)cc1 O=C(N1CCSCC1)[*:1] Cc1ccc(cc1)-c1cc(n2nc(cc2n1)[*:1])C(F)(F)F
Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCSCC4)cc3n2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc2nc(cc(n2n1)C(F)(F)F)[*:1])N1CCSCC1
Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCSCC4)cc3n2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1cc(n2nc(cc2n1)C(=O)N1CCSCC1)[*:1]
N/C(=N\OC(=O)Nc1ccc(Cl)cc1)c1nonc1N Nc1nonc1[*:1] N/C(=N\OC(=O)Nc1ccc(Cl)cc1)[*:1]
NC(=O)COc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 c1ccc(cc1)[*:1] NC(=O)COc1ccc(cc1)C(=O)N[C@H](C1CC1)[*:1]
NC(=O)COc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 NC(=O)[*:1] O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(cc1)OC[*:1]
NC(=O)COc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 NC(=O)C[*:1] O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(cc1)O[*:1]
NC(=O)COc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 C1CC1[*:1] NC(=O)COc1ccc(cc1)C(=O)N[C@H](c1ccccc1)[*:1]
NC(=O)COc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 NC(=O)CO[*:1] O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(cc1)[*:1]
CCC[NH+]1CCC(Nc2ncc(N)cc2Br)CC1 CCC[*:1] Nc1cnc(NC2CC[NH+](CC2)[*:1])c(Br)c1
CCN(C[C@H]1CCCO1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 C1CO[C@H](C1)[*:1] CCN(C[*:1])C(=O)NCC1CCN(CC1)c1cc[nH+]cc1
CCN(C[C@H]1CCCO1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 C1CO[C@H](C1)C[*:1] CCN(C(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CN1C(=O)C[C@@H](C(=O)NCCCc2ccc(Cl)cc2)[C@H]1c1cccnc1 Clc1ccc(cc1)C[*:1] CN1C(=O)C[C@@H](C(=O)NCC[*:1])[C@H]1c1cccnc1
CN1C(=O)C[C@@H](C(=O)NCCCc2ccc(Cl)cc2)[C@H]1c1cccnc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](C(=O)NCCC[*:1])[C@H]1c1cccnc1
CN1C(=O)C[C@@H](C(=O)NCCCc2ccc(Cl)cc2)[C@H]1c1cccnc1 c1cncc(c1)[*:1] CN1C(=O)C[C@@H](C(=O)NCCCc2ccc(Cl)cc2)[C@@H]1[*:1]
Cc1ccc(CCN2C(=O)CC[C@H]3CN(c4ncccc4F)CC[C@H]32)o1 Cc1ccc(o1)[*:1] O=C1CC[C@H]2CN(CC[C@H]2N1CC[*:1])c1ncccc1F
Cc1ccc(CCN2C(=O)CC[C@H]3CN(c4ncccc4F)CC[C@H]32)o1 Cc1ccc(C[*:1])o1 O=C1CC[C@H]2CN(CC[C@H]2N1C[*:1])c1ncccc1F
Cc1ccc(CCN2C(=O)CC[C@H]3CN(c4ncccc4F)CC[C@H]32)o1 Cc1ccc(CC[*:1])o1 O=C1CC[C@H]2CN(CC[C@H]2N1[*:1])c1ncccc1F
Cc1ccc(CCN2C(=O)CC[C@H]3CN(c4ncccc4F)CC[C@H]32)o1 Fc1cccnc1[*:1] Cc1ccc(CCN2C(=O)CC[C@H]3CN(CC[C@H]32)[*:1])o1
C[C@@](O)(c1cccc(O)c1)[C@@H](F)C(=O)[O-] O=C([O-])[*:1] C[C@@](O)(c1cccc(O)c1)[C@@H](F)[*:1]
C[C@@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] C[C@@H](OC(=O)c1ccc2NC(=O)COc2c1)[*:1]
CC(=O)Nc1cccc2c1CCN(C(=O)[C@H]1C[C@H]3CC[C@@H]1O3)C2 CC(=O)N[*:1] O=C([C@H]1C[C@H]2CC[C@@H]1O2)N1CCc2c(cccc2[*:1])C1
C#CCn1/c(=N\C(=O)[C@H]2Oc3ccccc3O[C@H]2C)sc2cc(C(=O)OCC)ccc21 CCOC(=O)[*:1] C#CCn1/c(=N\C(=O)[C@H]2Oc3ccccc3O[C@H]2C)sc2cc(ccc21)[*:1]
C#CCn1/c(=N\C(=O)[C@H]2Oc3ccccc3O[C@H]2C)sc2cc(C(=O)OCC)ccc21 C#CC[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)[C@H]1Oc3ccccc3O[C@H]1C)n2[*:1]
N#C[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1F Fc1ccccc1[*:1] N#C[C@@H](NC(=O)c1ccn(n1)-c1ccccc1)[*:1]
N#C[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1F c1ccc(cc1)[*:1] N#C[C@@H](NC(=O)c1ccn(n1)[*:1])c1ccccc1F
COC(=O)c1cc2cc(NS(=O)(=O)Cc3ccccc3)ccc2s1 c1ccc(cc1)[*:1] COC(=O)c1cc2cc(ccc2s1)NS(=O)(=O)C[*:1]
COC(=O)c1cc2cc(NS(=O)(=O)Cc3ccccc3)ccc2s1 c1ccc(cc1)C[*:1] COC(=O)c1cc2cc(ccc2s1)NS(=O)(=O)[*:1]
COC(=O)c1cc2cc(NS(=O)(=O)Cc3ccccc3)ccc2s1 COC(=O)[*:1] O=S(=O)(Cc1ccccc1)Nc1ccc2sc(cc2c1)[*:1]
O=C(NCc1ccncc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 c1cc(ccn1)[*:1] O=C(NC[*:1])C(=O)Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(Cl)c1
O=C(NCc1ccncc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 c1cc(ccn1)C[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(Cl)c1)C(=O)N[*:1]
O=C(NCc1ccncc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 Clc1cccc(c1)[*:1] O=C(NCc1ccncc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
CC(C)c1nc(C[NH+]2CCn3c(nn(C)c3=O)C2)no1 CC(C)[*:1] Cn1nc2C[NH+](CCn2c1=O)Cc1noc(n1)[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2CCCC2)c1C O=C(N1CCCC1)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2CCCC2)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)O[C@H](C)C(=O)N2CCCC2)c(C)c1[*:1]
O=C([O-])CSC(SCC(=O)[O-])c1ccc2c(c1)OCO2 O=C([O-])CS[*:1] O=C([O-])CSC(c1ccc2OCOc2c1)[*:1]
O=C([O-])CSC(SCC(=O)[O-])c1ccc2c(c1)OCO2 O=C([O-])[*:1] O=C([O-])CSC(SC[*:1])c1ccc2OCOc2c1
O=C([O-])CSC(SCC(=O)[O-])c1ccc2c(c1)OCO2 O=C([O-])C[*:1] O=C([O-])CSC(S[*:1])c1ccc2OCOc2c1
CCCCc1ccc(-n2c(N)[nH+]c3ccccc32)cc1 CCC[*:1] Nc1[nH+]c2ccccc2n1-c1ccc(cc1)C[*:1]
CCCCc1ccc(-n2c(N)[nH+]c3ccccc32)cc1 CCCC[*:1] Nc1[nH+]c2ccccc2n1-c1ccc(cc1)[*:1]
C=CCO[C@@H](C)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 C=CC[*:1] C[C@H](O[*:1])C(=O)NC1CCN(CC1)C(=O)c1ccncc1
C=CCO[C@@H](C)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 C=CCO[*:1] C[C@@H](C(=O)NC1CCN(CC1)C(=O)c1ccncc1)[*:1]
C=CCO[C@@H](C)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] C=CCO[C@@H](C)C(=O)NC1CCN(CC1)C(=O)[*:1]
O=C(NNc1nc(-c2ccncc2)no1)Nc1cnc(C2CC2)nc1 c1cc(ccn1)[*:1] O=C(NNc1nc(no1)[*:1])Nc1cnc(nc1)C1CC1
O=C(NNc1nc(-c2ccncc2)no1)Nc1cnc(C2CC2)nc1 C1CC1[*:1] O=C(NNc1nc(no1)-c1ccncc1)Nc1cnc(nc1)[*:1]
C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCCC1 C[NH+](C)C[*:1] C[C@@H](CNC(=O)c1ccc(cc1)[*:1])[NH+]1CCCC1
NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 FC(F)(F)[*:1] NS(=O)(=O)c1ccc(cc1)CCNS(=O)(=O)c1cc(ccc1Cl)[*:1]
NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 NS(=O)(=O)[*:1] O=S(=O)(NCCc1ccc(cc1)[*:1])c1cc(ccc1Cl)C(F)(F)F
C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCO1 O=[N+]([O-])[*:1] C[C@H]1CN(CCO1)C(=O)COc1ccc(c(F)c1)[*:1]
Nc1c(C(=O)NNC(=O)c2ccco2)cnc2ccc(Cl)cc12 c1coc(c1)[*:1] Nc1c(cnc2ccc(Cl)cc12)C(=O)NNC(=O)[*:1]
Cc1ccccc1COC1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC1 CC(C)(S(C)(=O)=O)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)NC[*:1]
Cc1ccccc1COC1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC1 Cc1ccccc1[*:1] CC(C)(CNC(=O)N1CCC(CC1)OC[*:1])S(C)(=O)=O
Cc1ccccc1COC1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC1 CS(=O)(=O)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)NCC(C)(C)[*:1]
Cc1ccccc1COC1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC1 Cc1ccccc1C[*:1] CC(C)(CNC(=O)N1CCC(CC1)O[*:1])S(C)(=O)=O
Cc1ccccc1COC1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC1 CC(C)(C[*:1])S(C)(=O)=O Cc1ccccc1COC1CCN(CC1)C(=O)N[*:1]
O=C(NCc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCc1ccc(F)cc1)c1ccccc1[*:1]
CS[C@@H]1CCC[C@H]1N(C)C(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] CS[C@@H]1CCC[C@H]1N(C)C(=O)c1ccnc(c1)O[*:1]
CS[C@@H]1CCC[C@H]1N(C)C(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] CS[C@@H]1CCC[C@H]1N(C)C(=O)c1ccnc(c1)[*:1]
CCn1ccnc(NCc2ccc(F)c(COC)c2)c1=O COC[*:1] CCn1ccnc(NCc2ccc(F)c(c2)[*:1])c1=O
O=C1[C@H](Sc2nnc(NC3CC3)s2)CCCN1Cc1ccccc1 C1CC1[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)Sc1nnc(N[*:1])s1
O=C1[C@H](Sc2nnc(NC3CC3)s2)CCCN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@@H](CCCN1[*:1])Sc1nnc(NC2CC2)s1
O=C1[C@H](Sc2nnc(NC3CC3)s2)CCCN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](CCCN1C[*:1])Sc1nnc(NC2CC2)s1
O=C1[C@H](Sc2nnc(NC3CC3)s2)CCCN1Cc1ccccc1 C1CC1N[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)Sc1nnc(s1)[*:1]
CCOC(=O)[C@@H](/C=N/c1ccnn1C1CCCCC1)C(=O)[O-] C1CCC(CC1)[*:1] CCOC(=O)[C@@H](/C=N/c1ccnn1[*:1])C(=O)[O-]
CCOC(=O)[C@@H](/C=N/c1ccnn1C1CCCCC1)C(=O)[O-] CCOC(=O)[*:1] O=C([O-])[C@H](/C=N/c1ccnn1C1CCCCC1)[*:1]
CCOC(=O)[C@@H](/C=N/c1ccnn1C1CCCCC1)C(=O)[O-] O=C([O-])[*:1] CCOC(=O)[C@@H](/C=N/c1ccnn1C1CCCCC1)[*:1]
CCCC(CCC)C(=O)Nc1nccs1 c1csc(n1)[*:1] CCCC(CCC)C(=O)N[*:1]
CCCC(CCC)C(=O)Nc1nccs1 CCC[*:1] CCCC(C(=O)Nc1nccs1)[*:1]
CC(=O)OCC(=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 CC(=O)OC[*:1] CC1(C)C(=O)CC[C@]2(C)C3CC[C@]4(C)[C@H](CC[C@@]4(C)C=3CC[C@@H]12)C(=O)[*:1]
CC(=O)OCC(=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 CC(=O)O[*:1] CC1(C)C(=O)CC[C@]2(C)C3CC[C@]4(C)[C@H](CC[C@@]4(C)C=3CC[C@@H]12)C(=O)C[*:1]
CC(=O)OCC(=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 CC(=O)OCC(=O)[*:1] CC1(C)C(=O)CC[C@]2(C)C3CC[C@]4(C)[C@H](CC[C@@]4(C)C=3CC[C@@H]12)[*:1]
Cc1ccc(NC(C)(C)C(=O)N2CCC3(CCOCC3)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)(N[*:1])C(=O)N1CCC2(CCOCC2)CC1
Cc1ccc(NC(C)(C)C(=O)N2CCC3(CCOCC3)CC2)cc1 Cc1ccc(cc1)N[*:1] CC(C)(C(=O)N1CCC2(CCOCC2)CC1)[*:1]
Cc1nc(-c2nc[nH]n2)sc1C(=O)O[C@@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1nc(sc1C(=O)O[C@@H](C)[*:1])-c1nc[nH]n1
Cc1nc(-c2nc[nH]n2)sc1C(=O)O[C@@H](C)c1ccc(Cl)s1 c1nc(n[nH]1)[*:1] Cc1nc(sc1C(=O)O[C@@H](C)c1ccc(Cl)s1)[*:1]
O=C(CCS(=O)(=O)c1ccc2ccccc2c1)N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CCS(=O)(=O)c1ccc2ccccc2c1)N1CCN(CC1)C[*:1]
O=C(CCS(=O)(=O)c1ccc2ccccc2c1)N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(CCS(=O)(=O)c1ccc2ccccc2c1)N1CCN(CC1)[*:1]
O=C(CCS(=O)(=O)c1ccc2ccccc2c1)N1CCN(Cc2ccccc2F)CC1 c1ccc2cc(ccc2c1)[*:1] O=C(CCS(=O)(=O)[*:1])N1CCN(CC1)Cc1ccccc1F
NC(=O)c1cc([N+](=O)[O-])cn(Cc2nc3cc(F)ccc3o2)c1=O O=[N+]([O-])[*:1] NC(=O)c1cc(cn(Cc2nc3cc(F)ccc3o2)c1=O)[*:1]
NC(=O)c1cc([N+](=O)[O-])cn(Cc2nc3cc(F)ccc3o2)c1=O NC(=O)[*:1] O=c1c(cc(cn1Cc1nc2cc(F)ccc2o1)[N+](=O)[O-])[*:1]
C[NH+]1CCC(N(CC(=O)[O-])C(C)(C)C)CC1 O=C([O-])[*:1] C[NH+]1CCC(CC1)N(C[*:1])C(C)(C)C
C[NH+]1CCC(N(CC(=O)[O-])C(C)(C)C)CC1 CC(C)(C)[*:1] C[NH+]1CCC(CC1)N(CC(=O)[O-])[*:1]
C[NH+]1CCC(N(CC(=O)[O-])C(C)(C)C)CC1 O=C([O-])C[*:1] C[NH+]1CCC(CC1)N(C(C)(C)C)[*:1]
Cn1c(=O)n(CC(=O)OCc2ccccc2)c2cccnc21 c1ccc(cc1)C[*:1] Cn1c(=O)n(CC(=O)O[*:1])c2cccnc21
Cn1c(=O)n(CC(=O)OCc2ccccc2)c2cccnc21 c1ccc(cc1)[*:1] Cn1c(=O)n(CC(=O)OC[*:1])c2cccnc21
O=C(CC[NH+]1CCN(c2ccccc2F)CC1)NC1CCCC1 Fc1ccccc1[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])NC1CCCC1
O=C(CC[NH+]1CCN(c2ccccc2F)CC1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccc1F)N[*:1]
COc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 FC(F)(F)[*:1] COc1ccc(cn1)C(=O)NCC#Cc1cccc(c1)[*:1]
COc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 COc1ccc(cn1)[*:1] O=C(NCC#Cc1cccc(c1)C(F)(F)F)[*:1]
CNC(=O)[C@H]1CCCCN1c1cccc(F)c1C(N)=S CNC(=O)[*:1] NC(=S)c1c(F)cccc1N1CCCC[C@@H]1[*:1]
CNC(=O)[C@H]1CCCCN1c1cccc(F)c1C(N)=S NC(=S)[*:1] CNC(=O)[C@H]1CCCCN1c1cccc(F)c1[*:1]
Cc1sc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)nc1-c1ccc(F)cc1 c1coc(c1)C[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1sc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
Cc1sc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)nc1-c1ccc(F)cc1 c1coc(c1)[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2Cl)c2c(C)cccc21 CC(=O)C[*:1] Cc1cccc2c1N(CCCOc1ccccc1Cl)C(=O)[C@]2(O)[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2Cl)c2c(C)cccc21 CC(=O)[*:1] Cc1cccc2c1N(CCCOc1ccccc1Cl)C(=O)[C@@]2(O)C[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2Cl)c2c(C)cccc21 Clc1ccccc1OC[*:1] CC(=O)C[C@]1(O)C(=O)N(CC[*:1])c2c(C)cccc21
CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2Cl)c2c(C)cccc21 Clc1ccccc1[*:1] CC(=O)C[C@]1(O)C(=O)N(CCCO[*:1])c2c(C)cccc21
CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2Cl)c2c(C)cccc21 Clc1ccccc1O[*:1] CC(=O)C[C@]1(O)C(=O)N(CCC[*:1])c2c(C)cccc21
C[C@@H](Cn1cncn1)NC(=O)/C=C/c1cnn(-c2ccccc2)c1 c1ncn(C[*:1])n1 C[C@@H](NC(=O)/C=C/c1cnn(c1)-c1ccccc1)[*:1]
C[C@@H](Cn1cncn1)NC(=O)/C=C/c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H](Cn1cncn1)NC(=O)/C=C/c1cnn(c1)[*:1]
C[C@@H](Cn1cncn1)NC(=O)/C=C/c1cnn(-c2ccccc2)c1 c1ncn(n1)[*:1] C[C@@H](C[*:1])NC(=O)/C=C/c1cnn(c1)-c1ccccc1
Cc1ccccc1OC(=O)[C@H]1CCCN1C(=O)c1ccco1 Cc1ccccc1[*:1] O=C(O[*:1])[C@H]1CCCN1C(=O)c1ccco1
Cc1ccccc1OC(=O)[C@H]1CCCN1C(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccccc1OC(=O)[C@H]1CCCN1C(=O)[*:1]
Cc1ccc2nc([C@H](C)Cl)n([C@@H](C)C3CC3)c2c1 C[C@@H](C1CC1)[*:1] Cc1ccc2nc([C@H](C)Cl)n(c2c1)[*:1]
Cc1ccc2nc([C@H](C)Cl)n([C@@H](C)C3CC3)c2c1 C1CC1[*:1] Cc1ccc2nc([C@H](C)Cl)n(c2c1)[C@@H](C)[*:1]
Cc1ccc2nc([C@H](C)Cl)n([C@@H](C)C3CC3)c2c1 C[C@H](Cl)[*:1] Cc1ccc2nc(n(c2c1)[C@@H](C)C1CC1)[*:1]
CC[NH2+][C@H](COC)C1([NH+]2CCCC2)CCCC1 COC[*:1] CC[NH2+][C@H](C1(CCCC1)[NH+]1CCCC1)[*:1]
COC(=O)c1ccsc1N1CC[C@@H](Nc2ccc3c(c2)CCC3)C1=O COC(=O)[*:1] O=C1[C@@H](CCN1c1sccc1[*:1])Nc1ccc2CCCc2c1
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nnc1-c1ccco1 c1coc(c1)[*:1] C=CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1cccc(Cl)c1
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nnc1-c1ccco1 C=CC[*:1] C[C@@H](Sc1nnc(-c2ccco2)n1[*:1])C(=O)Nc1cccc(Cl)c1
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nnc1-c1ccco1 Clc1cccc(c1)[*:1] C=CCn1c(nnc1-c1ccco1)S[C@H](C)C(=O)N[*:1]
Cc1noc(-c2ccc(C(=O)NCCn3cccc3)cc2)n1 Cc1noc(n1)[*:1] O=C(NCCn1cccc1)c1ccc(cc1)[*:1]
Cc1noc(-c2ccc(C(=O)NCCn3cccc3)cc2)n1 c1ccn(c1)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NCC[*:1]
Cc1noc(-c2ccc(C(=O)NCCn3cccc3)cc2)n1 c1ccn(c1)C[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NC[*:1]
Cc1noc(-c2ccc(C(=O)NCCn3cccc3)cc2)n1 c1ccn(c1)CC[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)N[*:1]
COc1ccc(-c2cc(C(=O)Nc3c(C(C)=O)cnn3C)c3ccccc3n2)cc1OC CC(=O)c1cnn(C)c1[*:1] COc1ccc(cc1OC)-c1cc(C(=O)N[*:1])c2ccccc2n1
COc1ccc(-c2cc(C(=O)Nc3c(C(C)=O)cnn3C)c3ccccc3n2)cc1OC COc1ccc(cc1OC)[*:1] CC(=O)c1cnn(C)c1NC(=O)c1cc(nc2ccccc12)[*:1]
COc1ccc(-c2cc(C(=O)Nc3c(C(C)=O)cnn3C)c3ccccc3n2)cc1OC CC(=O)[*:1] COc1ccc(cc1OC)-c1cc(C(=O)Nc2c(cnn2C)[*:1])c2ccccc2n1
CCNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl CCNC(=O)[*:1] CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@H]1CCCN1C(=O)C(C)C CC(C)[*:1] Cc1cc(ccc1NC(=O)[C@H]1CCCN1C(=O)[*:1])C(=O)N1CCC[C@H](C)C1
Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@H]1CCCN1C(=O)C(C)C C[C@H]1CCCN(C1)C(=O)[*:1] Cc1cc(ccc1NC(=O)[C@H]1CCCN1C(=O)C(C)C)[*:1]
Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4ccc(F)cc4F)c3c2c1 Fc1ccc(c(F)c1)[*:1] Cc1ccc2oc(=O)c3cnn(CC(=O)N[*:1])c3c2c1
CC[C@H](NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2)[*:1]
CC[C@H](NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2)c1ccccc1 O=C([O-])[*:1] CC[C@H](NC(=O)[C@H]1[C@@H]([C@@H]2C=C[C@H]1C2)[*:1])c1ccccc1
C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1cccc(c1)OC[*:1]
C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1cccc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1cccc(c1)[*:1]
C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1cccc(c1)O[*:1]
CCOCC(=O)Nc1ccc(C)cc1C CCOC[*:1] Cc1ccc(NC(=O)[*:1])c(C)c1
CCOCC(=O)Nc1ccc(C)cc1C CCO[*:1] Cc1ccc(NC(=O)C[*:1])c(C)c1
CCS(=O)(=O)CCC[C@](C)([NH3+])c1ccc(C)c(F)c1 CCS(=O)(=O)[*:1] Cc1ccc(cc1F)[C@@](C)([NH3+])CCC[*:1]
CCS(=O)(=O)CCC[C@](C)([NH3+])c1ccc(C)c(F)c1 CCS(=O)(=O)C[*:1] Cc1ccc(cc1F)[C@@](C)([NH3+])CC[*:1]
CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(cc1)[*:1]
CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(-c2ccccc2)cc1 c1coc(c1)[*:1] CC1=C(C#N)C(=O)N(C[*:1])C(=O)/C1=C\Nc1ccc(cc1)-c1ccccc1
CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(-c2ccccc2)cc1 c1coc(c1)C[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\Nc1ccc(cc1)-c1ccccc1)[*:1]
Cn1c(=O)cc(N2CCN(c3ccccc3F)CC2)c2ccccc21 Fc1ccccc1[*:1] Cn1c(=O)cc(c2ccccc21)N1CCN(CC1)[*:1]
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F Fc1ccc(c(F)c1F)[*:1] C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)NCC(=O)N[*:1]
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F Clc1ccccc1[*:1] C[C@@H](Sc1nnc(n1C)[*:1])C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
C=C(Br)Cc1ccc(Cl)s1 C=C(Br)[*:1] Clc1ccc(C[*:1])s1
Cc1oc2c(c1C(=O)NCCCC(=O)[O-])CCCC2 O=C([O-])C[*:1] Cc1oc2CCCCc2c1C(=O)NCC[*:1]
Cc1oc2c(c1C(=O)NCCCC(=O)[O-])CCCC2 O=C([O-])CCC[*:1] Cc1oc2CCCCc2c1C(=O)N[*:1]
Cc1oc2c(c1C(=O)NCCCC(=O)[O-])CCCC2 O=C([O-])[*:1] Cc1oc2CCCCc2c1C(=O)NCCC[*:1]
Cc1oc2c(c1C(=O)NCCCC(=O)[O-])CCCC2 O=C([O-])CC[*:1] Cc1oc2CCCCc2c1C(=O)NC[*:1]
COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 COc1ccc(OC)c(c1)[*:1] O=C1C[C@H](CN1[*:1])c1nc2ccccc2n1Cc1ccccc1F
COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 Fc1ccccc1C[*:1] COc1ccc(OC)c(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 Fc1ccccc1[*:1] COc1ccc(OC)c(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
O=C(CCc1ccccc1F)Nc1cccc(C2OCCCO2)c1 Fc1ccccc1[*:1] O=C(CC[*:1])Nc1cccc(c1)C1OCCCO1
O=C(CCc1ccccc1F)Nc1cccc(C2OCCCO2)c1 Fc1ccccc1C[*:1] O=C(C[*:1])Nc1cccc(c1)C1OCCCO1
O=C(CCc1ccccc1F)Nc1cccc(C2OCCCO2)c1 C1COC(OC1)[*:1] O=C(CCc1ccccc1F)Nc1cccc(c1)[*:1]
COCCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 COCC[*:1] O=C(Nc1ccc(cc1)O[*:1])Nc1ccc(c(Cl)c1)[N+](=O)[O-]
COCCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 COCCO[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1ccc(c(Cl)c1)[N+](=O)[O-]
COCCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 COC[*:1] O=C(Nc1ccc(cc1)OC[*:1])Nc1ccc(c(Cl)c1)[N+](=O)[O-]
COCCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 O=[N+]([O-])[*:1] COCCOc1ccc(cc1)NC(=O)Nc1ccc(c(Cl)c1)[*:1]
O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1cccs1 c1ccc(nc1)[*:1] O=C(CSc1nnc(c(n1)-c1ccccn1)[*:1])c1cccs1
O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1cccs1 c1csc(c1)[*:1] O=C(CSc1nnc(-c2ccccn2)c(n1)-c1ccccn1)[*:1]
O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1cccs1 O=C(CS[*:1])c1cccs1 c1ccc(nc1)-c1nnc(nc1-c1ccccn1)[*:1]
O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1cccs1 c1ccc(nc1)[*:1] O=C(CSc1nnc(-c2ccccn2)c(n1)[*:1])c1cccs1
O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1cccs1 O=C(c1cccs1)[*:1] c1ccc(nc1)-c1nnc(nc1-c1ccccn1)SC[*:1]
O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1cccs1 O=C(C[*:1])c1cccs1 c1ccc(nc1)-c1nnc(nc1-c1ccccn1)S[*:1]
CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 c1coc(c1)[*:1] CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(n1Cc1ccccc1)[*:1]
CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1C[*:1]
CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1[*:1]
O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)N[*:1]
O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)NC[*:1]
Cc1nonc1CNC(=O)[C@H]1C[C@H]2C=C[C@@H]1C21CC1 Cc1nonc1[*:1] O=C(NC[*:1])[C@H]1C[C@H]2C=C[C@@H]1C21CC1
Cc1ccc(C)c(N2CCN(C(=O)C[C@@]3(c4cccc(F)c4)CC(=O)N(C4CCCC4)C3=O)CC2)c1 C1CCC(C1)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)C[C@]1(CC(=O)N(C1=O)[*:1])c1cccc(F)c1
Cc1ccc(C)c(N2CCN(C(=O)C[C@@]3(c4cccc(F)c4)CC(=O)N(C4CCCC4)C3=O)CC2)c1 Fc1cccc(c1)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)C[C@]1(CC(=O)N(C1=O)C1CCCC1)[*:1]
Cc1ccc(C)c(N2CCN(C(=O)C[C@@]3(c4cccc(F)c4)CC(=O)N(C4CCCC4)C3=O)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(C[C@]1(CC(=O)N(C1=O)C1CCCC1)c1cccc(F)c1)N1CCN(CC1)[*:1]
Cc1ccnc(NNC(=O)c2ccc(C3SCCS3)cc2)c1 C1CSC(S1)[*:1] Cc1ccnc(c1)NNC(=O)c1ccc(cc1)[*:1]
Cc1ccnc(NNC(=O)c2ccc(C3SCCS3)cc2)c1 Cc1ccnc(c1)[*:1] O=C(NN[*:1])c1ccc(cc1)C1SCCS1
CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cn(C[C@H]2CCCO2)nn1 c1ccc(cc1)[*:1] CN(Cc1nc(no1)[*:1])C(=O)c1cn(C[C@H]2CCCO2)nn1
N#Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NN=C[*:1])C(O)(c1ccccc1)c1ccccc1
N#Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)[*:1])cc1
COc1ccc(/C(=C/C(=O)[O-])C(C)C)cc1C CC(C)[*:1] COc1ccc(cc1C)/C(=C/C(=O)[O-])[*:1]
COc1ccc(/C(=C/C(=O)[O-])C(C)C)cc1C O=C([O-])[*:1] COc1ccc(cc1C)C(=C[*:1])C(C)C
CCn1cc[nH+]c(N2CCN(Cc3c(F)cccc3Cl)CC2)c1=O Fc1cccc(Cl)c1[*:1] CCn1cc[nH+]c(c1=O)N1CCN(CC1)C[*:1]
Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)CCC(=O)[*:1]
Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)C(=O)CCC(=O)Nc1cccc(c1C)[*:1]
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 c1ccc(cc1)[*:1] O=C(/C=C/c1cn(nc1-c1cccs1)[*:1])N1CCC[C@@H](C1)c1nnc2CCCCCn21
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 C1CCc2nnc(n2CC1)[*:1] O=C(/C=C/c1cn(nc1-c1cccs1)-c1ccccc1)N1CCC[C@H](C1)[*:1]
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 c1csc(c1)[*:1] O=C(/C=C/c1cn(nc1[*:1])-c1ccccc1)N1CCC[C@@H](C1)c1nnc2CCCCCn21
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NCC(C)(C)c2ccncc2)c1 CC(C)[*:1] CC(C)(CNC(=O)C(=O)Nc1cccc(c1)NC(=O)[*:1])c1ccncc1
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NCC(C)(C)c2ccncc2)c1 CC(C)C(=O)N[*:1] CC(C)(CNC(=O)C(=O)Nc1cccc(c1)[*:1])c1ccncc1
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NCC(C)(C)c2ccncc2)c1 CC(C)(c1ccncc1)[*:1] CC(C)C(=O)Nc1cccc(c1)NC(=O)C(=O)NC[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NCC(C)(C)c2ccncc2)c1 c1cc(ccn1)[*:1] CC(C)C(=O)Nc1cccc(c1)NC(=O)C(=O)NCC(C)(C)[*:1]
COCCn1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc2ccccc21 COC[*:1] O=C1CCc2cc(ccc2N1)NC(=O)c1cc2ccccc2n1C[*:1]
COCCn1c(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc2ccccc21 COCC[*:1] O=C1CCc2cc(ccc2N1)NC(=O)c1cc2ccccc2n1[*:1]
NC(=O)NC1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 NC(=O)N[*:1] O=C(N1CCC(CC1)[*:1])C1(CC1)c1ccc(Br)cc1
NC(=O)NC1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 Brc1ccc(cc1)[*:1] NC(=O)NC1CCN(CC1)C(=O)C1(CC1)[*:1]
C[C@H]([NH2+]C[C@@H](O)C1CCCC1)c1c[nH]c2cc(F)ccc12 O[C@@H](C1CCCC1)[*:1] C[C@H]([NH2+]C[*:1])c1c[nH]c2cc(F)ccc12
C[C@H]([NH2+]C[C@@H](O)C1CCCC1)c1c[nH]c2cc(F)ccc12 C1CCC(C1)[*:1] C[C@H]([NH2+]C[C@@H](O)[*:1])c1c[nH]c2cc(F)ccc12
Cc1cccc(OCC(=O)N2CC[C@H](c3ccccc3)C2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])N1CC[C@@H](C1)c1ccccc1
Cc1cccc(OCC(=O)N2CC[C@H](c3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)N1CC[C@H](C1)[*:1]
CN(Cc1ccccc1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 c1ccc(cc1)C[*:1] CN(C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[*:1]
CN(Cc1ccccc1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CN(Cc1ccccc1)C(=O)N[C@@H]1CCO[C@@H]1[*:1]
CN(Cc1ccccc1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
Nc1cccc(Cl)c1SCCOc1ccccc1 c1ccc(cc1)[*:1] Nc1cccc(Cl)c1SCCO[*:1]
C[C@H](CC(=O)NOCc1cccnc1)Cc1ccc(Cl)cc1 c1cncc(c1)C[*:1] C[C@H](CC(=O)NO[*:1])Cc1ccc(Cl)cc1
C[C@H](CC(=O)NOCc1cccnc1)Cc1ccc(Cl)cc1 c1cncc(c1)[*:1] C[C@H](CC(=O)NOC[*:1])Cc1ccc(Cl)cc1
C[C@H](CC(=O)NOCc1cccnc1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)NOCc1cccnc1)C[*:1]
COc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1CCO OCC[*:1] COc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1[*:1]
COc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1CCO CC(C)CC(=O)[*:1] COc1ccccc1[C@@H]1C(=C([O-])C(=O)N1CCO)[*:1]
COc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1CCO COc1ccccc1[*:1] CC(C)CC(=O)C1=C([O-])C(=O)N(CCO)[C@@H]1[*:1]
COc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1CCO CC(C)C[*:1] COc1ccccc1[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CCO
COc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1CCO CC(C)[*:1] COc1ccccc1[C@@H]1C(C(=O)C[*:1])=C([O-])C(=O)N1CCO
COc1ccc(-c2cc3ccc(OS(=O)(=O)c4ccccc4)cc3oc2=O)cc1OC COc1ccc(cc1OC)[*:1] O=c1oc2cc(ccc2cc1[*:1])OS(=O)(=O)c1ccccc1
COc1ccc(-c2cc3ccc(OS(=O)(=O)c4ccccc4)cc3oc2=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1cc2ccc(cc2oc1=O)OS(=O)(=O)[*:1]
COc1ccc(-c2cc3ccc(OS(=O)(=O)c4ccccc4)cc3oc2=O)cc1OC O=S(=O)(O[*:1])c1ccccc1 COc1ccc(cc1OC)-c1cc2ccc(cc2oc1=O)[*:1]
CC[C@@H](N[C@H](COC)c1ccccc1)c1ccc(F)cc1F c1ccc(cc1)[*:1] CC[C@@H](N[C@H](COC)[*:1])c1ccc(F)cc1F
CC[C@@H](N[C@H](COC)c1ccccc1)c1ccc(F)cc1F COC[*:1] CC[C@@H](N[C@H](c1ccccc1)[*:1])c1ccc(F)cc1F
CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCS(=O)(=O)C1 CC(C)[*:1] O=S1(=O)CCC[C@H](C1)[NH2+][C@H](Cc1ccc(F)cc1)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](C[*:1])[NH2+][C@@H]1CCCS(=O)(=O)C1
Cn1nccc1C(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 CC(C)(C)[*:1] Cn1nccc1C(=O)Nc1cc(nn1Cc1ccccc1)[*:1]
Cn1nccc1C(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 Cn1nccc1[*:1] CC(C)(C)c1cc(NC(=O)[*:1])n(Cc2ccccc2)n1
Cn1nccc1C(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 c1ccc(cc1)[*:1] Cn1nccc1C(=O)Nc1cc(nn1C[*:1])C(C)(C)C
Cn1nccc1C(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1nccc1C(=O)Nc1cc(nn1[*:1])C(C)(C)C
C[C@]1(CNS(=O)(=O)c2ccc(CCO)s2)CCCO1 OCC[*:1] C[C@@]1(CCCO1)CNS(=O)(=O)c1ccc(s1)[*:1]
Cc1cccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1)N1CCC(CC1)NC(=O)[*:1]
Cc1cccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NC1CCN(CC1)C(=O)N[*:1]
Cc1ccc(CCCC(=O)N2CCOc3ccccc3C2)cc1 Cc1ccc(cc1)[*:1] O=C(CCC[*:1])N1CCOc2ccccc2C1
C[C@@H](c1ccccn1)[C@@H](O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](c1ccccn1)[C@@H](O)[*:1]
CCC[NH2+]C[C@@H](C)S(=O)(=O)N1CCN2CCC[C@@H]2C1 CCC[*:1] C[C@H](C[NH2+][*:1])S(=O)(=O)N1CCN2CCC[C@@H]2C1
C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1nccs1)C(=O)Nc1nccs1 C[C@@H](c1ccccc1)[*:1] O=C(C[C@H](C(=O)Nc1nccs1)[*:1])Nc1nccs1
C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1nccs1)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] C[C@@H](c1ccccc1)[C@H](C[*:1])C(=O)Nc1nccs1
C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1nccs1)C(=O)Nc1nccs1 c1ccc(cc1)[*:1] C[C@@H]([C@H](CC(=O)Nc1nccs1)C(=O)Nc1nccs1)[*:1]
C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1nccs1)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1nccs1)[*:1]
C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1nccs1)C(=O)Nc1nccs1 c1csc(n1)[*:1] C[C@@H](c1ccccc1)[C@H](CC(=O)N[*:1])C(=O)Nc1nccs1
C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1nccs1)C(=O)Nc1nccs1 c1csc(n1)[*:1] C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1nccs1)C(=O)N[*:1]
CSc1ncc(Br)c(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)n1 CSc1ncc(Br)c(n1)[*:1] O=C(NCc1ccco1)c1c(NC(=O)[*:1])sc2CCCc21
CSc1ncc(Br)c(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)n1 c1coc(c1)C[*:1] CSc1ncc(Br)c(n1)C(=O)Nc1sc2CCCc2c1C(=O)N[*:1]
CSc1ncc(Br)c(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)n1 c1coc(c1)[*:1] CSc1ncc(Br)c(n1)C(=O)Nc1sc2CCCc2c1C(=O)NC[*:1]
CSc1ncc(Br)c(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)n1 O=C(NCc1ccco1)[*:1] CSc1ncc(Br)c(n1)C(=O)Nc1sc2CCCc2c1[*:1]
CN1CCCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2nc3ccccc3nc21 c1ccc(cc1)[*:1] CN1CCCN(C(=O)CCC(=O)N2CCC(=N2)[*:1])c2nc3ccccc3nc21
O=C(NNS(=O)(=O)c1cccc(F)c1)c1ccccn1 c1ccc(nc1)[*:1] O=C(NNS(=O)(=O)c1cccc(F)c1)[*:1]
O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1nc(cs1)-c1cc2ccccc2o1)[*:1]
CCc1onc(C)c1NC(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)N[C@H](C)[*:1]
CN(Cc1ccccc1)C(=O)c1csc(COc2cccc3ccccc23)n1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1csc(COc2cccc3ccccc23)n1
CN(Cc1ccccc1)C(=O)c1csc(COc2cccc3ccccc23)n1 c1ccc(cc1)C[*:1] CN(C(=O)c1csc(COc2cccc3ccccc23)n1)[*:1]
COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2F)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@@H]1[*:1])S(=O)(=O)c1ccccc1F
O=C(c1cccc(F)c1)N1CCCN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CC1 c1csc(c1)[*:1] O=C(c1cccc(F)c1)N1CCCN(CC1)c1nc2ccccc2c2nnc(n12)[*:1]
O=C(c1cccc(F)c1)N1CCCN(c2nc3ccccc3c3nnc(-c4cccs4)n23)CC1 Fc1cccc(c1)[*:1] O=C(N1CCCN(CC1)c1nc2ccccc2c2nnc(-c3cccs3)n12)[*:1]
C(#Cc1cncnc1)c1ccc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 c1ncc(cn1)[*:1] C(#C[*:1])c1ccc(cc1)C[NH2+][C@H]1CCCN(C1)c1nc2ccccc2s1
C(#Cc1cncnc1)c1ccc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 c1ccc2sc(nc2c1)[*:1] C(#Cc1cncnc1)c1ccc(cc1)C[NH2+][C@H]1CCCN(C1)[*:1]
C(#Cc1cncnc1)c1ccc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 C(#C[*:1])c1cncnc1 c1ccc2sc(nc2c1)N1CCC[C@@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
O=C(NC[C@H]1CCCN(c2ncccn2)C1)N[C@@H](CCO)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)N[C@@H](CCO)[*:1]
O=C(NC[C@H]1CCCN(c2ncccn2)C1)N[C@@H](CCO)C1CCCCC1 c1cnc(nc1)[*:1] O=C(NC[C@H]1CCCN(C1)[*:1])N[C@@H](CCO)C1CCCCC1
O=C(NC[C@H]1CCCN(c2ncccn2)C1)N[C@@H](CCO)C1CCCCC1 OCC[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)N[C@@H](C1CCCCC1)[*:1]
Cc1nc2ccccc2c(=O)n1NC(=O)C1CCC(C(C)(C)C)CC1 CC(C)(C)[*:1] Cc1nc2ccccc2c(=O)n1NC(=O)C1CCC(CC1)[*:1]
[NH3+]C[C@@H]1CC[C@@H](C[NH2+]C(C2CC2)C2CC2)O1 C1CC1[*:1] [NH3+]C[C@@H]1CC[C@@H](C[NH2+]C(C2CC2)[*:1])O1
Cc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 O=C(NCc1ccccc1)[*:1] Cc1ccc(cc1)N(C[*:1])S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N(CC(=O)NC[*:1])S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)N(CC(=O)N[*:1])S(=O)(=O)c1ccc2OCCOc2c1
Cc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 c1cc2OCCOc2cc1[*:1] Cc1ccc(cc1)N(CC(=O)NCc1ccccc1)S(=O)(=O)[*:1]
Cc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] O=C(CN(S(=O)(=O)c1ccc2OCCOc2c1)[*:1])NCc1ccccc1
CC(C)CCN(C(=O)[C@@H](C)/C(N)=N/O)C1CCCC1 CC(C)[*:1] C[C@H](C(=O)N(CC[*:1])C1CCCC1)/C(N)=N/O
CC(C)CCN(C(=O)[C@@H](C)/C(N)=N/O)C1CCCC1 C1CCC(C1)[*:1] CC(C)CCN(C(=O)[C@@H](C)/C(N)=N/O)[*:1]
CC(C)CCN(C(=O)[C@@H](C)/C(N)=N/O)C1CCCC1 CC(C)CC[*:1] C[C@H](C(=O)N(C1CCCC1)[*:1])/C(N)=N/O
CC(C)CCN(C(=O)[C@@H](C)/C(N)=N/O)C1CCCC1 CC(C)C[*:1] C[C@H](C(=O)N(C[*:1])C1CCCC1)/C(N)=N/O
CC(C)CCN(C(=O)[C@@H](C)/C(N)=N/O)C1CCCC1 N/C(=N\O)[*:1] CC(C)CCN(C(=O)[C@@H](C)[*:1])C1CCCC1
O=S(=O)(NC[C@@H]1CCCO1)c1cc(Cl)c(Cl)cc1Br C1CO[C@@H](C1)C[*:1] O=S(=O)(N[*:1])c1cc(Cl)c(Cl)cc1Br
O=S(=O)(NC[C@@H]1CCCO1)c1cc(Cl)c(Cl)cc1Br C1CO[C@@H](C1)[*:1] O=S(=O)(NC[*:1])c1cc(Cl)c(Cl)cc1Br
COc1ccc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 N#Cc1ccc(nc1)[*:1] COc1ccc(NC(=O)NC2CCN(CC2)[*:1])c(Cl)c1
COc1ccc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 COc1ccc(c(Cl)c1)[*:1] N#Cc1ccc(nc1)N1CCC(CC1)NC(=O)N[*:1]
COCc1nn2c(nnc3c(=O)n(Cc4cccnc4)cnc32)c1-c1ccc(F)cc1 c1cncc(c1)[*:1] COCc1nn2c(nnc3c(=O)n(cnc32)C[*:1])c1-c1ccc(F)cc1
COCc1nn2c(nnc3c(=O)n(Cc4cccnc4)cnc32)c1-c1ccc(F)cc1 c1cncc(c1)C[*:1] COCc1nn2c(nnc3c(=O)n(cnc32)[*:1])c1-c1ccc(F)cc1
COCc1nn2c(nnc3c(=O)n(Cc4cccnc4)cnc32)c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCc1nn2c(nnc3c(=O)n(cnc32)Cc2cccnc2)c1[*:1]
COCc1nn2c(nnc3c(=O)n(Cc4cccnc4)cnc32)c1-c1ccc(F)cc1 COC[*:1] O=c1c2nnc3c(-c4ccc(F)cc4)c(nn3c2ncn1Cc1cccnc1)[*:1]
CSCC[C@@H](C)NC(=O)Nc1cccc(SC(F)F)c1 FC(F)[*:1] CSCC[C@@H](C)NC(=O)Nc1cccc(c1)S[*:1]
CSCC[C@@H](C)NC(=O)Nc1cccc(SC(F)F)c1 CSC[*:1] C[C@H](C[*:1])NC(=O)Nc1cccc(c1)SC(F)F
CSCC[C@@H](C)NC(=O)Nc1cccc(SC(F)F)c1 FC(F)S[*:1] CSCC[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
CSCC[C@@H](C)NC(=O)Nc1cccc(SC(F)F)c1 CSCC[C@@H](C)[*:1] O=C(Nc1cccc(c1)SC(F)F)N[*:1]
CSCC[C@@H](C)NC(=O)Nc1cccc(SC(F)F)c1 CSCC[*:1] C[C@@H](NC(=O)Nc1cccc(c1)SC(F)F)[*:1]
Cc1nn(C)c2c1NC(=O)[C@@H](CCC(=O)[O-])N2 O=C([O-])C[*:1] Cc1nn(C)c2N[C@H](C[*:1])C(=O)Nc12
Cc1nn(C)c2c1NC(=O)[C@@H](CCC(=O)[O-])N2 O=C([O-])CC[*:1] Cc1nn(C)c2N[C@H](C(=O)Nc12)[*:1]
Cc1nn(C)c2c1NC(=O)[C@@H](CCC(=O)[O-])N2 O=C([O-])[*:1] Cc1nn(C)c2N[C@H](CC[*:1])C(=O)Nc12
CC(C)[NH+]1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 FC(F)(F)[*:1] CC(C)[NH+]1CCN(CC1)[C@H]1CCN(C1=O)c1cccc(c1)O[*:1]
CC(C)[NH+]1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 FC(F)(F)O[*:1] CC(C)[NH+]1CCN(CC1)[C@H]1CCN(C1=O)c1cccc(c1)[*:1]
CC(C)[NH+]1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 CC(C)[*:1] O=C1[C@H](CCN1c1cccc(c1)OC(F)(F)F)N1CC[NH+](CC1)[*:1]
N#Cc1cccc(NC(=O)COc2ncnc3sc4c(c23)CCCC4)c1 N#Cc1cccc(c1)[*:1] O=C(COc1ncnc2sc3CCCCc3c12)N[*:1]
Cc1cccc(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)n1 Cc1cccc(C[*:1])n1 Cc1nc(ncc1[C@@H](C)[NH2+][*:1])-c1ccncc1
Cc1cccc(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)n1 c1cc(ccn1)[*:1] Cc1cccc(C[NH2+][C@H](C)c2cnc(nc2C)[*:1])n1
Cc1cccc(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)n1 Cc1cccc(n1)[*:1] Cc1nc(ncc1[C@@H](C)[NH2+]C[*:1])-c1ccncc1
COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC COC(=O)[*:1] COc1ccc(cc1[C@H]1NC(=O)N(C)C(C)=C1[*:1])[N+](=O)[O-]
COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC O=[N+]([O-])[*:1] COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(ccc1OC)[*:1]
COCCOC[C@@H]1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C1 C1CO[C@@H](C1)[*:1] COCCOC[C@@H]1CCN(C1)C(=O)c1cnc(s1)[*:1]
COCCOC[C@@H]1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C1 COCCO[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CC[C@H](C1)C[*:1]
COCCOC[C@@H]1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C1 COCC[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CC[C@@H](CO[*:1])C1
COCCOC[C@@H]1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C1 COCCOC[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CC[C@H](C1)[*:1]
COCCOC[C@@H]1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C1 COC[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CC[C@@H](COC[*:1])C1
O=C(Nc1cncc2ccccc12)c1ccn(C2CCCC2)n1 C1CCC(C1)[*:1] O=C(Nc1cncc2ccccc12)c1ccn(n1)[*:1]
Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CC(=O)N[*:1]
Cc1cccc(N2CCN(Cn3nc(C)n(-c4ccccc4)c3=S)CC2)c1C Cc1cccc(c1C)[*:1] Cc1nn(CN2CCN(CC2)[*:1])c(=S)n1-c1ccccc1
Cc1cccc(N2CCN(Cn3nc(C)n(-c4ccccc4)c3=S)CC2)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)Cn1nc(C)n(c1=S)[*:1]
O=[N+]([O-])c1ccccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 O=[N+]([O-])c1ccccc1[*:1] Fc1ccc(cc1)-c1nnc(SC[*:1])n1C[C@H]1CCCO1
O=[N+]([O-])c1ccccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 O=[N+]([O-])[*:1] Fc1ccc(cc1)-c1nnc(SCc2ccccc2[*:1])n1C[C@H]1CCCO1
O=[N+]([O-])c1ccccc1CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1CSc1nnc(n1C[C@H]1CCCO1)[*:1]
CCOc1ccccc1-c1[nH+]ccn1CCN1CCCC1=O O=C1CCCN1C[*:1] CCOc1ccccc1-c1[nH+]ccn1C[*:1]
CCOc1ccccc1-c1[nH+]ccn1CCN1CCCC1=O CCO[*:1] O=C1CCCN1CCn1cc[nH+]c1-c1ccccc1[*:1]
CCOc1ccccc1-c1[nH+]ccn1CCN1CCCC1=O O=C1CCCN1[*:1] CCOc1ccccc1-c1[nH+]ccn1CC[*:1]
CCCC(=O)N1CCC(C(=O)N2CCCc3cc(C)cc(C)c32)CC1 CCC[*:1] Cc1cc(C)c2c(c1)CCCN2C(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)N(C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1 CC(C)[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])N(c1ccccc1)[*:1]
CC(C)N(C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1 O=[N+]([O-])[*:1] CC(C)N(C(=O)Cn1cnc2ccc(cc2c1=O)[*:1])c1ccccc1
CC(C)N(C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])[*:1]
CCC[NH2+][C@]1(C(=O)OCC)CC[C@@H](OC)C1 CCOC(=O)[*:1] CCC[NH2+][C@@]1(CC[C@H](C1)OC)[*:1]
CCC[NH2+][C@]1(C(=O)OCC)CC[C@@H](OC)C1 CCC[*:1] CCOC(=O)[C@]1(CC[C@H](C1)OC)[NH2+][*:1]
O=C(Cc1ccccc1F)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 O=C([O-])[*:1] O=C(Cc1ccccc1F)NC[C@@H]1CC[C@@H](O1)[*:1]
C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(O)c(Cl)c1 N#Cc1nccnc1[*:1] C[C@@H]1CN(CCN1Cc1ccc(O)c(Cl)c1)[*:1]
C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(O)c(Cl)c1 Oc1ccc(cc1Cl)[*:1] C[C@@H]1CN(CCN1C[*:1])c1nccnc1C#N
C#CCSc1nc(C)c(CCC)c(=O)[nH]1 C#CCS[*:1] CCCc1c(C)nc([nH]c1=O)[*:1]
C#CCSc1nc(C)c(CCC)c(=O)[nH]1 C#CC[*:1] CCCc1c(C)nc([nH]c1=O)S[*:1]
C#CCSc1nc(C)c(CCC)c(=O)[nH]1 CCC[*:1] C#CCSc1nc(C)c(c(=O)[nH]1)[*:1]
CNC(=O)c1ccc(Cl)cc1NCC(=O)N[C@@](C)(C#N)C(C)C CNC(=O)[*:1] CC(C)[C@](C)(C#N)NC(=O)CNc1cc(Cl)ccc1[*:1]
CNC(=O)c1ccc(Cl)cc1NCC(=O)N[C@@](C)(C#N)C(C)C CC(C)[*:1] CNC(=O)c1ccc(Cl)cc1NCC(=O)N[C@@](C)(C#N)[*:1]
O=C(Nc1ccnn1C1CCCC1)c1ccnc(OC2CCC2)c1 C1CCC(C1)[*:1] O=C(Nc1ccnn1[*:1])c1ccnc(c1)OC1CCC1
O=C(Nc1ccnn1C1CCCC1)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] O=C(Nc1ccnn1C1CCCC1)c1ccnc(c1)[*:1]
O=C(Nc1ccnn1C1CCCC1)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] O=C(Nc1ccnn1C1CCCC1)c1ccnc(c1)O[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)N1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1)[*:1]
CNC(=O)c1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 N#CC[*:1] CNC(=O)c1ccc(cc1)CNC(=O)Nc1ccccc1S[C@@H](C)[*:1]
CNC(=O)c1ccc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 CNC(=O)[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(cc1)[*:1]
COc1ccc(CCl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CCl
C=CCN(C(=O)c1ccc(C)c(OC)c1)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)c1ccc(C)c(c1)OC)[*:1]
C=CCN(C(=O)c1ccc(C)c(OC)c1)c1ccccc1 C=CC[*:1] COc1cc(ccc1C)C(=O)N(c1ccccc1)[*:1]
COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] COc1ccccc1C(=O)N/C(=C\c1ccc2OCOc2c1)[*:1]
COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1CCCCC1 c1cc2OCOc2cc1[*:1] COc1ccccc1C(=O)NC(=C[*:1])C(=O)N1CCCCC1
COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1CCCCC1 COc1ccccc1[*:1] O=C(/C(=C/c1ccc2OCOc2c1)NC(=O)[*:1])N1CCCCC1
CC(C)Cn1c(N)c(C(=O)C[NH+](C(C)C)C2CCOCC2)c(=O)n(C)c1=O CC(C)[*:1] CC(C)[NH+](CC(=O)c1c(N)n(C[*:1])c(=O)n(C)c1=O)C1CCOCC1
CC(C)Cn1c(N)c(C(=O)C[NH+](C(C)C)C2CCOCC2)c(=O)n(C)c1=O CC(C)[*:1] CC(C)Cn1c(N)c(C(=O)C[NH+](C2CCOCC2)[*:1])c(=O)n(C)c1=O
CC(C)Cn1c(N)c(C(=O)C[NH+](C(C)C)C2CCOCC2)c(=O)n(C)c1=O CC(C)C[*:1] CC(C)[NH+](CC(=O)c1c(N)n(c(=O)n(C)c1=O)[*:1])C1CCOCC1
C=C(Cl)CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 C=C(Cl)C[*:1] O=C(N1CCN(CC1)[*:1])C12CC3CC(CC(C3)C1)C2
C=C(Cl)CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 C=C(Cl)[*:1] O=C(N1CCN(CC1)C[*:1])C12CC3CC(CC(C3)C1)C2
O=C(c1ccccc1Nc1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1N[*:1])N1CCC(CC1)C(=O)N1CCCCCC1
O=C(c1ccccc1Nc1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 O=C(N1CCCCCC1)[*:1] O=C(c1ccccc1Nc1ccccc1)N1CCC(CC1)[*:1]
O=C(c1ccccc1Nc1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 c1ccc(cc1)N[*:1] O=C(c1ccccc1[*:1])N1CCC(CC1)C(=O)N1CCCCCC1
CC(C)COC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 CC(C)COC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CCCC[C@@H]1C(=O)N1CCCC1
CC(C)COC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 CC(C)COC[*:1] C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1)[*:1]
CC(C)COC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 CC(C)[*:1] C[C@@H](COC[*:1])NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1
CC(C)COC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)COC[C@H](C)NC(=O)[C@H]1CCCC[C@H]1[*:1]
CC(C)COC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 CC(C)CO[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1
CC(C)COC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 CC(C)C[*:1] C[C@@H](CO[*:1])NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1
CCOc1ccc(N2C(=O)O[C@@H](c3ccccc3)[C@]2(O)c2ccccc2)cc1 CCO[*:1] O=C1O[C@@H](c2ccccc2)[C@](O)(c2ccccc2)N1c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)O[C@@H](c3ccccc3)[C@]2(O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)O[C@@H]([C@]1(O)c1ccccc1)[*:1]
CCOc1ccc(N2C(=O)O[C@@H](c3ccccc3)[C@]2(O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)O[C@@H](c2ccccc2)[C@@]1(O)[*:1]
CCOc1ccc(N2C(=O)O[C@@H](c3ccccc3)[C@]2(O)c2ccccc2)cc1 CCOc1ccc(cc1)[*:1] O=C1O[C@@H](c2ccccc2)[C@](O)(c2ccccc2)N1[*:1]
CCSc1nnc(CCC[NH3+])o1 CCS[*:1] [NH3+]CCCc1nnc(o1)[*:1]
CCSc1nnc(CCC[NH3+])o1 [NH3+]CCC[*:1] CCSc1nnc(o1)[*:1]
CCSc1nnc(CCC[NH3+])o1 [NH3+]CC[*:1] CCSc1nnc(C[*:1])o1
COc1ccc(CCC(=O)N2CCC[C@H](c3cncc(-n4ccnc4C(C)C)n3)C2)cc1 CC(C)[*:1] COc1ccc(cc1)CCC(=O)N1CCC[C@@H](C1)c1cncc(n1)-n1ccnc1[*:1]
COc1ccc(CCC(=O)N2CCC[C@H](c3cncc(-n4ccnc4C(C)C)n3)C2)cc1 COc1ccc(cc1)CC[*:1] CC(C)c1nccn1-c1cncc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(CCC(=O)N2CCC[C@H](c3cncc(-n4ccnc4C(C)C)n3)C2)cc1 COc1ccc(cc1)[*:1] CC(C)c1nccn1-c1cncc(n1)[C@H]1CCCN(C1)C(=O)CC[*:1]
COc1ccc(CCC(=O)N2CCC[C@H](c3cncc(-n4ccnc4C(C)C)n3)C2)cc1 COc1ccc(cc1)C[*:1] CC(C)c1nccn1-c1cncc(n1)[C@H]1CCCN(C1)C(=O)C[*:1]
COc1ccc(CCC(=O)N2CCC[C@H](c3cncc(-n4ccnc4C(C)C)n3)C2)cc1 CC(C)c1nccn1[*:1] COc1ccc(cc1)CCC(=O)N1CCC[C@@H](C1)c1cncc(n1)[*:1]
C[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc(cc1)O[*:1]
C[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(Oc2ccccc2)cc1 c1nnnn1[*:1] C[C@H](NC(=O)Cc1ccc(cc1)[*:1])c1ccc(cc1)Oc1ccccc1
C[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] C[C@H](NC(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc(cc1)[*:1]
CC(C)(C)[NH+]1CCC(NC(=O)c2n[nH]c(C3CC3)n2)CC1 CC(C)(C)[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1n[nH]c(n1)C1CC1
CC(C)(C)[NH+]1CCC(NC(=O)c2n[nH]c(C3CC3)n2)CC1 C1CC1[*:1] CC(C)(C)[NH+]1CCC(CC1)NC(=O)c1n[nH]c(n1)[*:1]
Cc1cc(NC(=O)CCC(=O)[O-])ccc1S(=O)(=O)[O-] O=C([O-])CC[*:1] Cc1cc(ccc1S(=O)(=O)[O-])NC(=O)[*:1]
Cc1cc(NC(=O)CCC(=O)[O-])ccc1S(=O)(=O)[O-] O=C([O-])[*:1] Cc1cc(ccc1S(=O)(=O)[O-])NC(=O)CC[*:1]
Cc1cc(NC(=O)CCC(=O)[O-])ccc1S(=O)(=O)[O-] O=S(=O)([O-])[*:1] Cc1cc(ccc1[*:1])NC(=O)CCC(=O)[O-]
Cc1cc(NC(=O)CCC(=O)[O-])ccc1S(=O)(=O)[O-] O=C([O-])C[*:1] Cc1cc(ccc1S(=O)(=O)[O-])NC(=O)C[*:1]
C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)[C@H]1CN(C)CCO1 CC(C)(C)[*:1] C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1[*:1])[C@H]1CN(C)CCO1
C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)[C@H]1CN(C)CCO1 c1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1cn(C[*:1])nc1C(C)(C)C)[C@H]1CN(C)CCO1
C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C)[C@H]1CN(C)CCO1 c1ccc(cc1)C[*:1] C[C@H]([NH2+]Cc1cn(nc1C(C)(C)C)[*:1])[C@H]1CN(C)CCO1
O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 c1cc(co1)[*:1] O=C(NCc1ccc(cc1)Cn1ccnc1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 c1cn(cn1)[*:1] O=C(NCc1ccc(cc1)C[*:1])[C@H]1CCCN(C1)C(=O)c1ccoc1
O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 c1cn(cn1)C[*:1] O=C(NCc1ccc(cc1)[*:1])[C@H]1CCCN(C1)C(=O)c1ccoc1
COC[C@H](C)Cc1nc2cc(C#N)ccc2n1CC(C)C COC[C@H](C)C[*:1] CC(C)Cn1c(nc2cc(C#N)ccc21)[*:1]
COC[C@H](C)Cc1nc2cc(C#N)ccc2n1CC(C)C CC(C)[*:1] COC[C@H](C)Cc1nc2cc(C#N)ccc2n1C[*:1]
COC[C@H](C)Cc1nc2cc(C#N)ccc2n1CC(C)C COC[*:1] CC(C)Cn1c(C[C@@H](C)[*:1])nc2cc(C#N)ccc21
COC[C@H](C)Cc1nc2cc(C#N)ccc2n1CC(C)C CC(C)C[*:1] COC[C@H](C)Cc1nc2cc(C#N)ccc2n1[*:1]
COC[C@H](C)Cc1nc2cc(C#N)ccc2n1CC(C)C COC[C@H](C)[*:1] CC(C)Cn1c(C[*:1])nc2cc(C#N)ccc21
CCN(CC)c1nc(C)nc2sc(C(=O)Nc3cc(OC)ccc3OC)c(C)c12 CCN(CC)[*:1] COc1ccc(OC)c(c1)NC(=O)c1sc2nc(C)nc(c2c1C)[*:1]
CC(C)(CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)(CNC(=O)C(=O)N[*:1])[C@@H](O)c1ccccc1
CC(C)(CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccc(cc1)[N+](=O)[O-])[C@@H](O)[*:1]
CC(C)(CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 O=[N+]([O-])[*:1] CC(C)(CNC(=O)C(=O)Nc1ccc(cc1)[*:1])[C@@H](O)c1ccccc1
C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 Fc1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCC[NH2+][C@H](c1cnccn1)[C@H]1CN(C(C)C)CCO1 CCC[*:1] CC(C)N1CCO[C@H](C1)[C@H]([NH2+][*:1])c1cnccn1
CCC[NH2+][C@H](c1cnccn1)[C@H]1CN(C(C)C)CCO1 c1cnc(cn1)[*:1] CCC[NH2+][C@H]([C@H]1CN(CCO1)C(C)C)[*:1]
CCC[NH2+][C@H](c1cnccn1)[C@H]1CN(C(C)C)CCO1 CC(C)[*:1] CCC[NH2+][C@H](c1cnccn1)[C@H]1CN(CCO1)[*:1]
COc1ccc(CNC(=O)c2csc(Nc3ccc(F)c(F)c3)n2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1csc(n1)Nc1ccc(F)c(F)c1
COc1ccc(CNC(=O)c2csc(Nc3ccc(F)c(F)c3)n2)cc1 Fc1ccc(cc1F)[*:1] COc1ccc(cc1)CNC(=O)c1csc(n1)N[*:1]
C[C@@H](CCc1cccn1C)NC(=O)Nc1ccnc(C(=O)N(C)C)c1 Cn1cccc1CC[*:1] C[C@@H](NC(=O)Nc1ccnc(c1)C(=O)N(C)C)[*:1]
C[C@@H](CCc1cccn1C)NC(=O)Nc1ccnc(C(=O)N(C)C)c1 Cn1cccc1[*:1] C[C@@H](CC[*:1])NC(=O)Nc1ccnc(c1)C(=O)N(C)C
C[C@@H](CCc1cccn1C)NC(=O)Nc1ccnc(C(=O)N(C)C)c1 Cn1cccc1C[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccnc(c1)C(=O)N(C)C
C[C@@H](CCc1cccn1C)NC(=O)Nc1ccnc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@@H](CCc1cccn1C)NC(=O)Nc1ccnc(c1)[*:1]
O=C(c1cccs1)C(O)O OC(O)[*:1] O=C(c1cccs1)[*:1]
CSc1ccccc1Sc1cc(C(=O)[O-])c2ccccc2n1 O=C([O-])[*:1] CSc1ccccc1Sc1cc(c2ccccc2n1)[*:1]
O=C(COC(=O)c1ccco1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl c1coc(c1)[*:1] O=C(COC(=O)[*:1])Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
O=C(COC(=O)c1ccco1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl O=S(=O)(N1CCCCC1)[*:1] O=C(COC(=O)c1ccco1)Nc1cc(ccc1Cl)[*:1]
O=C(COC(=O)c1ccco1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl O=C(O[*:1])c1ccco1 O=C(C[*:1])Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
O=C(COC(=O)c1ccco1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl O=C(OC[*:1])c1ccco1 O=C(Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1)[*:1]
COc1cccc(COc2cccc(NC(=O)c3ccon3)c2C)c1 O=C(N[*:1])c1ccon1 COc1cccc(c1)COc1cccc(c1C)[*:1]
COc1cccc(COc2cccc(NC(=O)c3ccon3)c2C)c1 c1cc(no1)[*:1] COc1cccc(c1)COc1cccc(NC(=O)[*:1])c1C
COc1cccc(COc2cccc(NC(=O)c3ccon3)c2C)c1 COc1cccc(c1)[*:1] Cc1c(cccc1OC[*:1])NC(=O)c1ccon1
O=C(Cn1cnc2ccccc21)N1CCCSC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(Cn1cnc2ccccc21)N1CCCSC[C@H]1[*:1]
O=C(Cn1cnc2ccccc21)N1CCCSC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(Cn1cnc2ccccc21)N1CCCSC[C@@H]1C[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 Clc1ccc(Cl)c(c1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[*:1])c1ccc(Cl)cc1
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)[*:1])c1cc(Cl)ccc1Cl
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)NNC(=O)c1cc(Cl)ccc1Cl)[*:1])c1ccc(Cl)cc1
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 O=C(NNC(=O)[C@H](Cc1ccccc1)[*:1])c1cc(Cl)ccc1Cl
N#Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1O FC(F)(F)[*:1] N#Cc1cc(ccc1O)-c1ccc(cc1)O[*:1]
N#Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1O FC(F)(F)O[*:1] N#Cc1cc(ccc1O)-c1ccc(cc1)[*:1]
CN(C)c1ccccc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 CN(C)[*:1] CC(C)(C)OC(=O)NC1CC[NH+](CC1)Cc1ccccc1[*:1]
CN(C)c1ccccc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CN(C)c1ccccc1C[NH+]1CCC(CC1)NC(=O)O[*:1]
CN(C)c1ccccc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)N[*:1] CN(C)c1ccccc1C[NH+]1CCC(CC1)[*:1]
C[C@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)N[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)N[*:1]
CC[C@H]1CN(C/C(Cl)=C/Cl)[C@H](CC)C[NH2+]1 Cl/C=C(\Cl)[*:1] CC[C@H]1CN(C[*:1])[C@H](CC)C[NH2+]1
CC[C@H]1CN(C/C(Cl)=C/Cl)[C@H](CC)C[NH2+]1 Cl/C=C(\Cl)C[*:1] CC[C@H]1CN([C@H](CC)C[NH2+]1)[*:1]
O=C(c1cc(-c2ccccc2)on1)N1CC[C@H](c2ccccn2)C1 c1ccc(nc1)[*:1] O=C(c1cc(on1)-c1ccccc1)N1CC[C@H](C1)[*:1]
O=C(c1cc(-c2ccccc2)on1)N1CC[C@H](c2ccccn2)C1 c1ccc(cc1)[*:1] O=C(c1cc(on1)[*:1])N1CC[C@@H](C1)c1ccccn1
CC(C)[C@@H](CO)[NH2+]CCc1ccncc1 CC(C)[*:1] OC[C@@H]([NH2+]CCc1ccncc1)[*:1]
O=C(Nc1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)nc1)C1CCC1 O=C(N[*:1])C1CCC1 O=C(NC1CCCCC1)C1CCN(CC1)c1ccc(cn1)[*:1]
O=C(Nc1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)nc1)C1CCC1 C1CCC(CC1)[*:1] O=C(Nc1ccc(nc1)N1CCC(CC1)C(=O)N[*:1])C1CCC1
O=C(Nc1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)nc1)C1CCC1 O=C(NC1CCCCC1)[*:1] O=C(Nc1ccc(nc1)N1CCC(CC1)[*:1])C1CCC1
O=C(Nc1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)nc1)C1CCC1 C1CC(C1)[*:1] O=C(NC1CCCCC1)C1CCN(CC1)c1ccc(cn1)NC(=O)[*:1]
Cc1n[nH]c2ncc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cc12 O=[N+]([O-])[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)c1cc(F)c(cc1F)[*:1]
O=C(c1ccc2ncsc2c1)N(Cc1ccco1)c1nc2ccc(F)cc2s1 c1coc(c1)C[*:1] O=C(c1ccc2ncsc2c1)N(c1nc2ccc(F)cc2s1)[*:1]
O=C(c1ccc2ncsc2c1)N(Cc1ccco1)c1nc2ccc(F)cc2s1 c1nc2ccc(cc2s1)[*:1] O=C(N(Cc1ccco1)c1nc2ccc(F)cc2s1)[*:1]
O=C(c1ccc2ncsc2c1)N(Cc1ccco1)c1nc2ccc(F)cc2s1 c1coc(c1)[*:1] O=C(c1ccc2ncsc2c1)N(C[*:1])c1nc2ccc(F)cc2s1
Cc1ccc2ncc(C(=O)Nc3nc(-c4ccc(F)c(Cl)c4)cs3)c(=O)n2c1 Fc1ccc(cc1Cl)[*:1] Cc1ccc2ncc(C(=O)Nc3nc(cs3)[*:1])c(=O)n2c1
O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccc(cc1)C[NH+]1CCCCC1)[*:1]
COC[C@]1(C)NC(=O)N(Cc2ncoc2C(C)C)C1=O COC[*:1] CC(C)c1ocnc1CN1C(=O)N[C@@](C)(C1=O)[*:1]
COC[C@]1(C)NC(=O)N(Cc2ncoc2C(C)C)C1=O CC(C)[*:1] COC[C@]1(C)NC(=O)N(Cc2ncoc2[*:1])C1=O
Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 Cc1noc(C)c1[*:1] CC(C)c1ccc(cc1)[C@H](C)NC(=O)[*:1]
Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)C1 CCOC(=O)[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)N1CCC[C@@H](C1)[*:1]
CCCOc1cccc(/C=N/Nc2cc[nH]c(=O)n2)c1 CCCO[*:1] O=c1nc(cc[nH]1)N/N=C/c1cccc(c1)[*:1]
CCCOc1cccc(/C=N/Nc2cc[nH]c(=O)n2)c1 CCC[*:1] O=c1nc(cc[nH]1)N/N=C/c1cccc(c1)O[*:1]
Cc1noc(C)c1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1CSc1nnc(C[NH+]2CCCC2)n1[*:1]
Cc1noc(C)c1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 Cc1noc(C)c1[*:1] c1ccc(cc1)-n1c(C[NH+]2CCCC2)nnc1SC[*:1]
Cc1noc(C)c1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 Cc1noc(C)c1C[*:1] c1ccc(cc1)-n1c(C[NH+]2CCCC2)nnc1S[*:1]
O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)N1CCC(CC1)[*:1]
O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)N1CCC(CC1)C[*:1]
O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC(Cc2ccccc2)CC1 O=S(=O)(N1CCCCCC1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)Cc1ccccc1
CN(C)c1nc(N)nc(CN(C)S(=O)(=O)c2ccc(F)cc2)n1 CN(C)[*:1] CN(Cc1nc(N)nc(n1)[*:1])S(=O)(=O)c1ccc(F)cc1
CN(C)c1nc(N)nc(CN(C)S(=O)(=O)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CN(C)c1nc(N)nc(CN(C)S(=O)(=O)[*:1])n1
CCCNC(=S)N1CCC2(CC1)N[C@H](CC(C)C)C(=O)N2C1CC1 CCC[*:1] CC(C)C[C@H]1NC2(CCN(CC2)C(=S)N[*:1])N(C1=O)C1CC1
CCCNC(=S)N1CCC2(CC1)N[C@H](CC(C)C)C(=O)N2C1CC1 C1CC1[*:1] CCCNC(=S)N1CCC2(CC1)N[C@H](CC(C)C)C(=O)N2[*:1]
CCCNC(=S)N1CCC2(CC1)N[C@H](CC(C)C)C(=O)N2C1CC1 CC(C)C[*:1] CCCNC(=S)N1CCC2(CC1)N[C@H](C(=O)N2C1CC1)[*:1]
CCCNC(=S)N1CCC2(CC1)N[C@H](CC(C)C)C(=O)N2C1CC1 CC(C)[*:1] CCCNC(=S)N1CCC2(CC1)N[C@H](C[*:1])C(=O)N2C1CC1
CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cccc(c1)[*:1]
COc1ccc(-c2cc3c(=O)n(Cc4cc(C)ccc4C)ccn3n2)cc1OC Cc1ccc(C)c(c1)C[*:1] COc1ccc(cc1OC)-c1cc2c(=O)n(ccn2n1)[*:1]
COc1ccc(-c2cc3c(=O)n(Cc4cc(C)ccc4C)ccn3n2)cc1OC Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1OC)-c1cc2c(=O)n(ccn2n1)C[*:1]
Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCCCO)c1 OCCC[*:1] Cc1cccc(c1)C(=O)Nc1ccccc1C(=O)NC[*:1]
Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCCCO)c1 OCCCC[*:1] Cc1cccc(c1)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCCCO)c1 OCC[*:1] Cc1cccc(c1)C(=O)Nc1ccccc1C(=O)NCC[*:1]
Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCCCO)c1 Cc1cccc(c1)[*:1] O=C(NCCCCO)c1ccccc1NC(=O)[*:1]
Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCCCO)c1 O=C(NCCCCO)[*:1] Cc1cccc(c1)C(=O)Nc1ccccc1[*:1]
C[C@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])N1CCO[C@H](C1)c1cccc(F)c1
C[C@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCO[C@H](C1)c1cccc(F)c1)[*:1]
C[C@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1ccccc1 Fc1cccc(c1)[*:1] C[C@H](NC(=O)N1CCO[C@@H](C1)[*:1])c1ccccc1
C[C@@H](Cc1cccs1)N(C)C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)NCc1ccnc(c1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)NCc1ccnc(OC2CCC2)c1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)NCc1ccnc(c1)OC1CCC1
C[C@@H](Cc1cccs1)N(C)C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)NCc1ccnc(c1)O[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)NCc1ccnc(OC2CCC2)c1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)NCc1ccnc(c1)OC1CCC1)[*:1]
COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)CC2 Cc1cc(n[nH]1)[*:1] COc1ccc2CC[C@H](Cc2c1)[NH2+][C@H](C)C[*:1]
COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)CC2 Cc1cc(C[*:1])n[nH]1 COc1ccc2CC[C@H](Cc2c1)[NH2+][C@H](C)[*:1]
COc1ccccc1CN1C[C@H](C(=O)NCc2cccnc2)CC1=O c1cncc(c1)[*:1] COc1ccccc1CN1C[C@@H](CC1=O)C(=O)NC[*:1]
COc1ccccc1CN1C[C@H](C(=O)NCc2cccnc2)CC1=O COc1ccccc1[*:1] O=C(NCc1cccnc1)[C@@H]1CC(=O)N(C1)C[*:1]
COc1ccccc1CN1C[C@H](C(=O)NCc2cccnc2)CC1=O c1cncc(c1)C[*:1] COc1ccccc1CN1C[C@@H](CC1=O)C(=O)N[*:1]
CCC[NH2+][C@H]1CCCN([C@H](C)CCCO)C1=O CCC[*:1] C[C@H](CCCO)N1CCC[C@H]([NH2+][*:1])C1=O
CCC[NH2+][C@H]1CCCN([C@H](C)CCCO)C1=O OCC[*:1] CCC[NH2+][C@H]1CCCN(C1=O)[C@H](C)C[*:1]
CCC[NH2+][C@H]1CCCN([C@H](C)CCCO)C1=O OCCC[*:1] CCC[NH2+][C@H]1CCCN(C1=O)[C@H](C)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\CN2CCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 C1CCN(C1)C[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(/N1CCN(C1)S(=O)(=O)c1ccc(C)cc1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\CN2CCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\C[*:1])N1CCN(C1)S(=O)(=O)c1ccc(C)cc1
Cc1ccc(S(=O)(=O)/N=C(\CN2CCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(C1)/C(CN1CCCC1)=N/S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\CN2CCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\CN1CCCC1)N1CCN(C1)S(=O)(=O)[*:1]
O=c1cc(-c2cccs2)sc2nc(-c3ccncc3)nn12 c1csc(c1)[*:1] O=c1cc(sc2nc(nn12)-c1ccncc1)[*:1]
O=c1cc(-c2cccs2)sc2nc(-c3ccncc3)nn12 c1cc(ccn1)[*:1] O=c1cc(sc2nc(nn12)[*:1])-c1cccs1
Cc1cc([C@H]([NH2+]CC2(CO)CCOCC2)C(C)C)c(C)s1 CC(C)[*:1] Cc1cc(c(C)s1)[C@H]([NH2+]CC1(CO)CCOCC1)[*:1]
Cc1cc([C@H]([NH2+]CC2(CO)CCOCC2)C(C)C)c(C)s1 Cc1cc(c(C)s1)[*:1] CC(C)[C@@H]([NH2+]CC1(CO)CCOCC1)[*:1]
CC[C@H](C)c1ccccc1NC(=O)C(C)C CC[C@H](C)[*:1] CC(C)C(=O)Nc1ccccc1[*:1]
CC[C@H](C)c1ccccc1NC(=O)C(C)C CC(C)[*:1] CC[C@H](C)c1ccccc1NC(=O)[*:1]
COc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)c1 COc1cccc(c1)[*:1] CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1c1ccc2c(c1)OCO2 O=[N+]([O-])[*:1] Oc1ccc(c(c1)CN1CCC[C@H]1c1ccc2OCOc2c1)[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)Cn2nc(C)cc2C)C1 Cc1cc(C)n(n1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)N[C@@H](C)C[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)Cn2nc(C)cc2C)C1 CCO[*:1] Cc1cc(C)n(C[C@H](C)NC(=O)N2CCC[C@@H](C2)C[*:1])n1
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)Cn2nc(C)cc2C)C1 CCOC[*:1] Cc1cc(C)n(C[C@H](C)NC(=O)N2CCC[C@@H](C2)[*:1])n1
CC(C)(C(=O)NC[C@@H](O)Cc1ccccc1)n1cc([N+](=O)[O-])cn1 c1ccc(cc1)[*:1] CC(C)(C(=O)NC[C@@H](O)C[*:1])n1cc(cn1)[N+](=O)[O-]
CC(C)(C(=O)NC[C@@H](O)Cc1ccccc1)n1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CC(C)(C(=O)NC[C@@H](O)Cc1ccccc1)n1cc(cn1)[*:1]
CC(C)(C(=O)NC[C@@H](O)Cc1ccccc1)n1cc([N+](=O)[O-])cn1 O=[N+]([O-])c1cnn(c1)[*:1] CC(C)(C(=O)NC[C@@H](O)Cc1ccccc1)[*:1]
CC(C)(C(=O)NC[C@@H](O)Cc1ccccc1)n1cc([N+](=O)[O-])cn1 c1ccc(cc1)C[*:1] CC(C)(C(=O)NC[C@@H](O)[*:1])n1cc(cn1)[N+](=O)[O-]
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCCO3)n1nc(-c3ccncc3)nc1N2 c1cc(ccn1)[*:1] O=C1C[C@@H](CC2Nc3nc(nn3[C@@H](C=21)c1ccc2OCCOc2c1)[*:1])c1ccccc1
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCCO3)n1nc(-c3ccncc3)nc1N2 c1cc2OCCOc2cc1[*:1] O=C1C[C@@H](CC2Nc3nc(nn3[C@H](C=21)[*:1])-c1ccncc1)c1ccccc1
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCCO3)n1nc(-c3ccncc3)nc1N2 c1ccc(cc1)[*:1] O=C1C[C@H](CC2Nc3nc(nn3[C@@H](C=21)c1ccc2OCCOc2c1)-c1ccncc1)[*:1]
Cc1cnc([C@@H](NC(=O)N[C@@H](C)C(C)(C)C)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)N[C@@H](C)C(C)(C)C)[*:1]
Cc1cnc([C@@H](NC(=O)N[C@@H](C)C(C)(C)C)C2CC2)s1 C[C@@H](C(C)(C)C)[*:1] Cc1cnc(s1)[C@@H](NC(=O)N[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)N[C@@H](C)C(C)(C)C)C2CC2)s1 CC(C)(C)[*:1] Cc1cnc(s1)[C@@H](NC(=O)N[C@@H](C)[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)N[C@@H](C)C(C)(C)C)C2CC2)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)N[C@@H](C1CC1)[*:1])C(C)(C)C
Cc1c(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)cnn1-c1ccccc1F Fc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@H](c1c(F)cccc1F)N(C)C
Cc1c(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)cnn1-c1ccccc1F Fc1cccc(F)c1[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)NC[C@H](N(C)C)[*:1]
Cc1c(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)cnn1-c1ccccc1F CN(C)[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)NC[C@H](c1c(F)cccc1F)[*:1]
O=c1c(Cl)c(Cl)cnn1C[NH2+]C1(c2ccc(F)cc2)CCCC1 Fc1ccc(cc1)[*:1] O=c1c(Cl)c(Cl)cnn1C[NH2+]C1(CCCC1)[*:1]
C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1ccc(Br)cc1 c1csc(c1)[*:1] C[C@@H](Sc1nnc(C[*:1])n1C)C(=O)Nc1ccc(Br)cc1
C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)N[*:1]
C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1ccc(Br)cc1 c1csc(c1)C[*:1] C[C@@H](Sc1nnc(n1C)[*:1])C(=O)Nc1ccc(Br)cc1
C[C@H](c1ccccc1F)N(C)C(=O)CC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](c1ccccc1F)N(C)C(=O)CC[*:1]
C[C@H](c1ccccc1F)N(C)C(=O)CC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@H](c1ccccc1F)N(C)C(=O)C[*:1]
C[C@@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)[C@H](C)c1ccc(F)cc1 Clc1ccccc1C[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)[C@H](C)c1ccc(F)cc1
C[C@@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)[C@H](C)[*:1]
C[C@@H](C(=O)NCc1ccccc1Cl)S(=O)(=O)[C@H](C)c1ccc(F)cc1 Clc1ccccc1[*:1] C[C@@H](C(=O)NC[*:1])S(=O)(=O)[C@H](C)c1ccc(F)cc1
CC(C)c1nnc(NC(=O)[C@H](C)Sc2ccccn2)s1 CC(C)[*:1] C[C@H](Sc1ccccn1)C(=O)Nc1nnc(s1)[*:1]
CC(C)c1nnc(NC(=O)[C@H](C)Sc2ccccn2)s1 c1ccc(nc1)[*:1] CC(C)c1nnc(NC(=O)[C@H](C)S[*:1])s1
CC[C@@H](C)N(C)C(=O)NCc1cc(F)ccc1Br CC[C@@H](C)[*:1] CN(C(=O)NCc1cc(F)ccc1Br)[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 Clc1ccc(cc1Cl)C[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])C1CCN(CC1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 Clc1ccc(cc1Cl)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])C1CCN(CC1)S(=O)(=O)C[*:1]
CCOC(=O)c1cc2ccsc2n1CC(=O)N1CCCCCC1 CCOC(=O)[*:1] O=C(Cn1c(cc2ccsc21)[*:1])N1CCCCCC1
O=C(C[NH+]1CC=C(c2ccccc2Cl)CC1)NNC(=O)C1CC1 C1CC1[*:1] O=C(C[NH+]1CC=C(CC1)c1ccccc1Cl)NNC(=O)[*:1]
O=C(C[NH+]1CC=C(c2ccccc2Cl)CC1)NNC(=O)C1CC1 Clc1ccccc1[*:1] O=C(C[NH+]1CC=C(CC1)[*:1])NNC(=O)C1CC1
COc1ccc(OCCN(C)S(=O)(=O)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)OCCN(C)S(=O)(=O)[*:1]
CCOc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1cccc(O)c1 CCO[*:1] O=C(Nc1cccc(O)c1)/C(=C/c1ccccc1[*:1])NC(=O)c1ccccc1
CCOc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1cccc(O)c1 CCOc1ccccc1[*:1] O=C(Nc1cccc(O)c1)C(=C[*:1])NC(=O)c1ccccc1
CCOc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1cccc(O)c1 Oc1cccc(c1)[*:1] CCOc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)N[*:1]
CCOc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1cccc(O)c1 O=C(N[*:1])c1ccccc1 CCOc1ccccc1C=C(C(=O)Nc1cccc(O)c1)[*:1]
CCOc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1cccc(O)c1 c1ccc(cc1)[*:1] CCOc1ccccc1/C=C(\NC(=O)[*:1])C(=O)Nc1cccc(O)c1
CCOc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1cccc(O)c1 O=C(Nc1cccc(O)c1)[*:1] CCOc1ccccc1/C=C(\NC(=O)c1ccccc1)[*:1]
CC(C)S(=O)(=O)[C@@H](C)C(=O)NC[C@@H](O)c1ccccc1Cl CC(C)[*:1] C[C@@H](C(=O)NC[C@@H](O)c1ccccc1Cl)S(=O)(=O)[*:1]
CC(C)S(=O)(=O)[C@@H](C)C(=O)NC[C@@H](O)c1ccccc1Cl CC(C)S(=O)(=O)[*:1] C[C@@H](C(=O)NC[C@@H](O)c1ccccc1Cl)[*:1]
CC(C)S(=O)(=O)[C@@H](C)C(=O)NC[C@@H](O)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)S(=O)(=O)[C@@H](C)C(=O)NC[C@@H](O)[*:1]
COc1cccc(/C=c2/s/c(=C\[N+](=O)[O-])n(C)c2=O)c1 O=[N+]([O-])[*:1] COc1cccc(/C=c2/sc(=C[*:1])n(C)c2=O)c1
COCC(=O)N1CCC(C(=O)NCCCc2nc(C)c(C)s2)CC1 Cc1nc(sc1C)[*:1] COCC(=O)N1CCC(CC1)C(=O)NCCC[*:1]
COCC(=O)N1CCC(C(=O)NCCCc2nc(C)c(C)s2)CC1 COC[*:1] Cc1nc(CCCNC(=O)C2CCN(CC2)C(=O)[*:1])sc1C
COCC(=O)N1CCC(C(=O)NCCCc2nc(C)c(C)s2)CC1 Cc1nc(C[*:1])sc1C COCC(=O)N1CCC(CC1)C(=O)NCC[*:1]
O=C(C1=NO[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12)c1cccs1 c1csc(c1)[*:1] O=C1[C@H]2ON=C(C(=O)[*:1])[C@H]2C(=O)N1c1cccc2ccccc12
COc1cc(OC)cc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)c1 O=C1CCCCN1[*:1] COc1cc(cc(c1)C(=O)Nc1ccc(C)c(c1)[*:1])OC
CNC(=O)c1ccc(Cl)cc1NCC(=O)OC CNC(=O)[*:1] COC(=O)CNc1cc(Cl)ccc1[*:1]
CNC(=O)c1ccc(Cl)cc1NCC(=O)OC COC(=O)C[*:1] CNC(=O)c1ccc(Cl)cc1N[*:1]
CNC(=O)c1ccc(Cl)cc1NCC(=O)OC COC(=O)[*:1] CNC(=O)c1ccc(Cl)cc1NC[*:1]
CCCSC[C@@H]([NH3+])[C@@H](C)CC CCC[*:1] CC[C@H](C)[C@H]([NH3+])CS[*:1]
O=C(Cn1c(=O)oc2cc(Br)ccc21)NCc1ccco1 c1coc(c1)[*:1] O=C(Cn1c(=O)oc2cc(Br)ccc21)NC[*:1]
O=C(Cn1c(=O)oc2cc(Br)ccc21)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cn1c(=O)oc2cc(Br)ccc21)N[*:1]
CCCc1cc(NC(=O)C(=O)NC[C@@H](C)CO)n(C)n1 CCC[*:1] C[C@@H](CO)CNC(=O)C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)C(=O)NC[C@@H](C)CO)n(C)n1 C[C@@H](CO)[*:1] CCCc1cc(NC(=O)C(=O)NC[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)NC[C@@H](C)CO)n(C)n1 C[C@@H](CO)C[*:1] CCCc1cc(NC(=O)C(=O)N[*:1])n(C)n1
COc1cnc(NCc2cc3n(n2)CCC[NH+](CC(C)C)C3)nc1 CC(C)[*:1] COc1cnc(nc1)NCc1cc2C[NH+](CCCn2n1)C[*:1]
COc1cnc(NCc2cc3n(n2)CCC[NH+](CC(C)C)C3)nc1 COc1cnc(nc1)[*:1] CC(C)C[NH+]1CCCn2nc(cc2C1)CN[*:1]
COc1cnc(NCc2cc3n(n2)CCC[NH+](CC(C)C)C3)nc1 CC(C)C[*:1] COc1cnc(nc1)NCc1cc2C[NH+](CCCn2n1)[*:1]
O=C(c1ccc(N2CCCCCC2)nc1)N(C1CCCC1)C1CC1 C1CCCN(CC1)[*:1] O=C(c1ccc(nc1)[*:1])N(C1CCCC1)C1CC1
O=C(c1ccc(N2CCCCCC2)nc1)N(C1CCCC1)C1CC1 C1CCC(C1)[*:1] O=C(c1ccc(nc1)N1CCCCCC1)N(C1CC1)[*:1]
O=C(c1ccc(N2CCCCCC2)nc1)N(C1CCCC1)C1CC1 C1CC1[*:1] O=C(c1ccc(nc1)N1CCCCCC1)N(C1CCCC1)[*:1]
C[C@H](C(N)=O)N1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 NC(=O)[*:1] C[C@H](N1CC[NH+](CC1)Cc1ccc2OC(C)(C)Cc2c1)[*:1]
C[C@H](C(N)=O)N1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 C[C@H](C(N)=O)[*:1] CC1(C)Cc2cc(ccc2O1)C[NH+]1CCN(CC1)[*:1]
CCC(CC)[C@H](CO)Cc1ccccc1 CCC(CC)[*:1] OC[C@H](Cc1ccccc1)[*:1]
Cc1nn(C)cc1CN1CCN(C(=O)c2cnn(CC(=O)[O-])c2)CC1 O=C([O-])[*:1] Cc1nn(C)cc1CN1CCN(CC1)C(=O)c1cnn(c1)C[*:1]
Cc1nn(C)cc1CN1CCN(C(=O)c2cnn(CC(=O)[O-])c2)CC1 Cc1nn(C)cc1C[*:1] O=C([O-])Cn1cc(cn1)C(=O)N1CCN(CC1)[*:1]
Cc1nn(C)cc1CN1CCN(C(=O)c2cnn(CC(=O)[O-])c2)CC1 Cc1nn(C)cc1[*:1] O=C([O-])Cn1cc(cn1)C(=O)N1CCN(CC1)C[*:1]
Cc1nn(C)cc1CN1CCN(C(=O)c2cnn(CC(=O)[O-])c2)CC1 O=C([O-])C[*:1] Cc1nn(C)cc1CN1CCN(CC1)C(=O)c1cnn(c1)[*:1]
C=CCn1c(C)cc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)c1C Cc1ccc(cc1)[*:1] C=CCn1c(C)cc(-c2csc(CC(=O)N[*:1])n2)c1C
C=CCn1c(C)cc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)c1C C=CC[*:1] Cc1ccc(cc1)NC(=O)Cc1nc(cs1)-c1cc(C)n(c1C)[*:1]
CN(CCc1cnccn1)C(=O)Nc1ccc(F)cc1 c1cnc(cn1)[*:1] CN(CC[*:1])C(=O)Nc1ccc(F)cc1
CC(C)c1noc(CCNC(=O)N(C)Cc2ccc(Br)cc2)n1 CC(C)[*:1] CN(Cc1ccc(Br)cc1)C(=O)NCCc1nc(no1)[*:1]
CC(C)c1noc(CCNC(=O)N(C)Cc2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] CC(C)c1noc(CCNC(=O)N(C)C[*:1])n1
COC(=O)c1ccc(NC(=O)CO)cc1 O=C(CO)N[*:1] COC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)CO)cc1 COC(=O)[*:1] O=C(CO)Nc1ccc(cc1)[*:1]
Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)c12 CC(C)[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3nc(cs3)CN3C[C@@H](C)O[C@H](C)C3)c12)[*:1]
COc1cccc(-n2c(SCC(=O)N3CCC(C)CC3)nnc2-c2ccccn2)c1 CC1CCN(CC1)C(=O)C[*:1] COc1cccc(c1)-n1c(nnc1-c1ccccn1)S[*:1]
COc1cccc(-n2c(SCC(=O)N3CCC(C)CC3)nnc2-c2ccccn2)c1 CC1CCN(CC1)C(=O)[*:1] COc1cccc(c1)-n1c(nnc1-c1ccccn1)SC[*:1]
COc1cccc(-n2c(SCC(=O)N3CCC(C)CC3)nnc2-c2ccccn2)c1 COc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)CSc1nnc(-c2ccccn2)n1[*:1]
COc1cccc(-n2c(SCC(=O)N3CCC(C)CC3)nnc2-c2ccccn2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)-n1c(nnc1[*:1])SCC(=O)N1CCC(C)CC1
CC(C)[NH2+]C[C@@H]1CCCN1c1cc[nH+]cc1Cl CC(C)[*:1] Clc1c[nH+]ccc1N1CCC[C@H]1C[NH2+][*:1]
CC(C)[NH2+]C[C@@H]1CCCN1c1cc[nH+]cc1Cl CC(C)[NH2+]C[*:1] Clc1c[nH+]ccc1N1CCC[C@H]1[*:1]
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ncnn2C)C1 Cn1ncnc1[*:1] C[C@H]1C[C@H](c2ccccc2F)N(C1)C(=O)N[*:1]
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ncnn2C)C1 Fc1ccccc1[*:1] C[C@H]1C[C@H](N(C1)C(=O)Nc1ncnn1C)[*:1]
CCN(C[C@H]1CCOC1)C(=O)CCc1nc(C(C)(C)C)no1 C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)CCc1nc(no1)C(C)(C)C
CCN(C[C@H]1CCOC1)C(=O)CCc1nc(C(C)(C)C)no1 C1C[C@@H](CO1)C[*:1] CCN(C(=O)CCc1nc(no1)C(C)(C)C)[*:1]
CCN(C[C@H]1CCOC1)C(=O)CCc1nc(C(C)(C)C)no1 CC(C)(C)[*:1] CCN(C[C@H]1CCOC1)C(=O)CCc1nc(no1)[*:1]
CSc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CSc1ccc(cc1)NC(=O)C(=O)N[C@@H](C)[*:1]
CSc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 CSc1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1ccc(C#N)cc1
Cn1cnnc1SCC(=O)Nc1ccc(Cl)cn1 Cn1cnnc1[*:1] O=C(CS[*:1])Nc1ccc(Cl)cn1
Cc1ccccc1OCCn1c(-c2cccs2)noc1=O c1csc(c1)[*:1] Cc1ccccc1OCCn1c(noc1=O)[*:1]
Cc1ccccc1OCCn1c(-c2cccs2)noc1=O Cc1ccccc1[*:1] O=c1onc(-c2cccs2)n1CCO[*:1]
C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1COCCO1)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@@H](N(C(=O)[C@@H]1COCCO1)c1ccccc1)[*:1]
C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1COCCO1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1COCCO1)[*:1]
O=[N+]([O-])c1c(Nc2cc(C(F)(F)F)ccc2Cl)ncnc1N1CCOCC1 FC(F)(F)[*:1] O=[N+]([O-])c1c(ncnc1N1CCOCC1)Nc1cc(ccc1Cl)[*:1]
O=[N+]([O-])c1c(Nc2cc(C(F)(F)F)ccc2Cl)ncnc1N1CCOCC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cc(ccc1Cl)C(F)(F)F
O=[N+]([O-])c1c(Nc2cc(C(F)(F)F)ccc2Cl)ncnc1N1CCOCC1 O=[N+]([O-])[*:1] FC(F)(F)c1ccc(Cl)c(c1)Nc1ncnc(c1[*:1])N1CCOCC1
CCc1cc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+](C)C)sc1C COc1ccc(cc1)[*:1] CCc1cc(sc1C)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CCc1cc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+](C)C)sc1C CCc1cc(sc1C)[*:1] COc1ccc(cc1)[C@H](CNC(=O)[*:1])[NH+](C)C
O=C(N/C(=C/c1ccco1)C(=O)N1CCN(CCO)CC1)c1ccccc1 c1coc(c1)[*:1] O=C(NC(=C[*:1])C(=O)N1CCN(CCO)CC1)c1ccccc1
O=C(N/C(=C/c1ccco1)C(=O)N1CCN(CCO)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(C(=Cc1ccco1)[*:1])N1CCN(CCO)CC1
O=C(N/C(=C/c1ccco1)C(=O)N1CCN(CCO)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(/C(=C\c1ccco1)NC(=O)[*:1])N1CCN(CCO)CC1
O=C(N/C(=C/c1ccco1)C(=O)N1CCN(CCO)CC1)c1ccccc1 OCC[*:1] O=C(N/C(=C/c1ccco1)C(=O)N1CCN(CC1)[*:1])c1ccccc1
CC(C)NC(=O)Nc1ccccc1C(=O)NC[C@H](C)Oc1ccccc1 CC(C)[*:1] C[C@@H](CNC(=O)c1ccccc1NC(=O)N[*:1])Oc1ccccc1
CC(C)NC(=O)Nc1ccccc1C(=O)NC[C@H](C)Oc1ccccc1 CC(C)NC(=O)N[*:1] C[C@@H](CNC(=O)c1ccccc1[*:1])Oc1ccccc1
CC(C)NC(=O)Nc1ccccc1C(=O)NC[C@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] CC(C)NC(=O)Nc1ccccc1C(=O)NC[C@H](C)O[*:1]
CC(C)NC(=O)Nc1ccccc1C(=O)NC[C@H](C)Oc1ccccc1 c1ccc(cc1)O[*:1] CC(C)NC(=O)Nc1ccccc1C(=O)NC[C@H](C)[*:1]
O=C(NC[C@H](O)c1ccco1)N[C@H]1CC2(CCC2)Oc2ccccc21 O[C@H](c1ccco1)[*:1] O=C(NC[*:1])N[C@H]1CC2(CCC2)Oc2ccccc21
O=C(NC[C@H](O)c1ccco1)N[C@H]1CC2(CCC2)Oc2ccccc21 c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])N[C@H]1CC2(CCC2)Oc2ccccc21
O=C(NC[C@H](O)c1ccco1)N[C@H]1CC2(CCC2)Oc2ccccc21 O[C@@H](C[*:1])c1ccco1 O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)N[*:1]
O=C(Cn1nc(-c2cccs2)n(C2CC2)c1=O)Nc1cc(F)ccc1F C1CC1[*:1] O=C(Cn1nc(-c2cccs2)n(c1=O)[*:1])Nc1cc(F)ccc1F
O=C(Cn1nc(-c2cccs2)n(C2CC2)c1=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(Cn1nc(-c2cccs2)n(c1=O)C1CC1)N[*:1]
O=C(Cn1nc(-c2cccs2)n(C2CC2)c1=O)Nc1cc(F)ccc1F c1csc(c1)[*:1] O=C(Cn1nc(n(c1=O)C1CC1)[*:1])Nc1cc(F)ccc1F
Cc1nc(N2CC=CCC2)ncc1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1nc(ncc1C(=O)N[*:1])N1CC=CCC1
COC(=O)c1sc([N-]S(=O)(=O)c2cc(C)ccc2C)nc1C COC(=O)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)[N-]c1nc(C)c(s1)[*:1]
CSCC[C@H](NC(=O)c1c(C)oc2c1CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 c1cncc(c1)[*:1] CSCC[C@H](NC(=O)c1c(C)oc2CCCCc21)c1cc(=O)[nH]c(n1)[*:1]
CSCC[C@H](NC(=O)c1c(C)oc2c1CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 CSCC[*:1] Cc1oc2CCCCc2c1C(=O)N[C@H](c1cc(=O)[nH]c(n1)-c1cccnc1)[*:1]
CSCC[C@H](NC(=O)c1c(C)oc2c1CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 CSC[*:1] Cc1oc2CCCCc2c1C(=O)N[C@@H](C[*:1])c1cc(=O)[nH]c(n1)-c1cccnc1
CSCC[C@H](NC(=O)c1c(C)oc2c1CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 Cc1oc2CCCCc2c1[*:1] CSCC[C@H](NC(=O)[*:1])c1cc(=O)[nH]c(n1)-c1cccnc1
CN(Cc1ccccc1)C1(C(=O)N2CCSCC2)Cc2ccccc2C1 O=C(N1CCSCC1)[*:1] CN(Cc1ccccc1)C1(Cc2ccccc2C1)[*:1]
CN(Cc1ccccc1)C1(C(=O)N2CCSCC2)Cc2ccccc2C1 c1ccc(cc1)C[*:1] CN(C1(Cc2ccccc2C1)C(=O)N1CCSCC1)[*:1]
CN(Cc1ccccc1)C1(C(=O)N2CCSCC2)Cc2ccccc2C1 c1ccc(cc1)[*:1] CN(C[*:1])C1(Cc2ccccc2C1)C(=O)N1CCSCC1
Cn1c([O-])c(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc21 Fc1ccc(cc1)[*:1] Cn1c([O-])c(C(=O)N[*:1])c(=O)c2ccccc21
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C#N)c1 CC(C)[*:1] N#Cc1ccccc1NC(=O)c1cccc(c1)NC(=O)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C#N)c1 CC(C)C(=O)N[*:1] N#Cc1ccccc1NC(=O)c1cccc(c1)[*:1]
O=C(Nc1cccc(OCCn2cccn2)c1)c1scnc1C1CC1 c1nc(c(s1)[*:1])C1CC1 O=C(Nc1cccc(c1)OCCn1cccn1)[*:1]
O=C(Nc1cccc(OCCn2cccn2)c1)c1scnc1C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)OCCn1cccn1)c1scnc1[*:1]
O=C(Nc1cccc(OCCn2cccn2)c1)c1scnc1C1CC1 c1cnn(c1)C[*:1] O=C(Nc1cccc(c1)OC[*:1])c1scnc1C1CC1
O=C(Nc1cccc(OCCn2cccn2)c1)c1scnc1C1CC1 c1cnn(c1)CC[*:1] O=C(Nc1cccc(c1)O[*:1])c1scnc1C1CC1
O=C(Nc1cccc(OCCn2cccn2)c1)c1scnc1C1CC1 c1cnn(c1)CCO[*:1] O=C(Nc1cccc(c1)[*:1])c1scnc1C1CC1
O=C(Nc1cccc(OCCn2cccn2)c1)c1scnc1C1CC1 c1cnn(c1)[*:1] O=C(Nc1cccc(c1)OCC[*:1])c1scnc1C1CC1
C[C@@H](Cc1ccccn1)NS(=O)(=O)CCN1C(=O)CCC1=O c1ccc(C[*:1])nc1 C[C@@H](NS(=O)(=O)CCN1C(=O)CCC1=O)[*:1]
C[C@@H](Cc1ccccn1)NS(=O)(=O)CCN1C(=O)CCC1=O c1ccc(nc1)[*:1] C[C@@H](C[*:1])NS(=O)(=O)CCN1C(=O)CCC1=O
C[C@@H](Cc1ccccn1)NS(=O)(=O)CCN1C(=O)CCC1=O O=C1CCC(=O)N1[*:1] C[C@@H](Cc1ccccn1)NS(=O)(=O)CC[*:1]
Cc1csc(Sc2ccc(NC(=O)CCn3nc4ccccn4c3=O)c(C)c2)n1 Cc1csc(n1)S[*:1] Cc1cc(ccc1NC(=O)CCn1nc2ccccn2c1=O)[*:1]
Cc1csc(Sc2ccc(NC(=O)CCn3nc4ccccn4c3=O)c(C)c2)n1 Cc1csc(n1)[*:1] Cc1cc(ccc1NC(=O)CCn1nc2ccccn2c1=O)S[*:1]
NC(=O)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1ccc2NC(=O)Cc2c1
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C1=c2ccccc2=[NH+]C1 O=S(=O)(N1CCCC1)[*:1] O=C(COc1ccc(cc1[N+](=O)[O-])[*:1])C1C[NH+]=c2ccccc2=1
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C1=c2ccccc2=[NH+]C1 O=[N+]([O-])[*:1] O=C(COc1ccc(cc1[*:1])S(=O)(=O)N1CCCC1)C1C[NH+]=c2ccccc2=1
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(CNC(N)=O)cc1 NC(=O)NC[*:1] Cc1nc(ccc1C(=O)Nc1ccc(cc1)[*:1])C(F)(F)F
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(CNC(N)=O)cc1 NC(=O)N[*:1] Cc1nc(ccc1C(=O)Nc1ccc(cc1)C[*:1])C(F)(F)F
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(CNC(N)=O)cc1 FC(F)(F)[*:1] Cc1nc(ccc1C(=O)Nc1ccc(cc1)CNC(N)=O)[*:1]
[NH3+]CCc1noc(-c2cc(C(F)(F)F)ccc2F)n1 FC(F)(F)[*:1] [NH3+]CCc1noc(n1)-c1cc(ccc1F)[*:1]
[NH3+]CCc1noc(-c2cc(C(F)(F)F)ccc2F)n1 [NH3+]CC[*:1] Fc1ccc(cc1-c1nc(no1)[*:1])C(F)(F)F
O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(c1cccnc1Nc1cccc(F)c1)N1CCN(CC1)C(=O)[*:1]
O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)C(=O)c1cccnc1N[*:1]
O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1 Fc1cccc(c1)N[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)C(=O)c1cccnc1[*:1]
COc1cc(C)cc(C(=O)N2CCC[C@H]2c2cnn(C)c2C)c1O Cc1c(cnn1C)[*:1] COc1cc(C)cc(C(=O)N2CCC[C@@H]2[*:1])c1O
O=S(=O)(Cc1ccccc1Cl)NCC[C@H](O)c1cccc2ccccc12 Clc1ccccc1[*:1] O=S(=O)(C[*:1])NCC[C@H](O)c1cccc2ccccc12
O=S(=O)(Cc1ccccc1Cl)NCC[C@H](O)c1cccc2ccccc12 Clc1ccccc1C[*:1] O=S(=O)(NCC[C@H](O)c1cccc2ccccc12)[*:1]
CC(=O)N1CCC[C@@H](c2cc(CCO)n(C)n2)C1 OCC[*:1] CC(=O)N1CCC[C@H](C1)c1cc(n(C)n1)[*:1]
COc1ccccc1[C@H](CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)c1ccco1 COc1ccccc1[*:1] C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC[C@H](c1ccco1)[*:1]
COc1ccccc1[C@H](CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)c1ccco1 c1coc(c1)[*:1] COc1ccccc1[C@H](CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)[*:1]
CC(C)[C@@H](NC(=O)c1cccs1)/C([O-])=N/S(=O)(=O)C1CCCC1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])/C([O-])=N/S(=O)(=O)C1CCCC1
CC(C)[C@@H](NC(=O)c1cccs1)/C([O-])=N/S(=O)(=O)C1CCCC1 C1CCC(C1)[*:1] CC(C)[C@@H](NC(=O)c1cccs1)/C([O-])=N/S(=O)(=O)[*:1]
CC(C)[C@@H](NC(=O)c1cccs1)/C([O-])=N/S(=O)(=O)C1CCCC1 CC(C)[*:1] O=C(N[C@@H](/C([O-])=N/S(=O)(=O)C1CCCC1)[*:1])c1cccs1
Cc1n[nH]c(C)c1CNc1cc(C2CC2)ncn1 C1CC1[*:1] Cc1n[nH]c(C)c1CNc1cc(ncn1)[*:1]
CCSc1ccc(NC(=O)C(=O)NC2CCCCCCC2)cn1 CCS[*:1] O=C(Nc1ccc(nc1)[*:1])C(=O)NC1CCCCCCC1
O=C(CCc1cccc(F)c1)N1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CCc1cccc(F)c1)N1CCN(CC1)C(=O)[*:1]
O=C(CCc1cccc(F)c1)N1CCN(C(=O)c2ccccc2F)CC1 Fc1cccc(c1)C[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccccc1F
O=C(CCc1cccc(F)c1)N1CCN(C(=O)c2ccccc2F)CC1 Fc1cccc(c1)[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)c1ccccc1F
CSCC(=O)NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl CSC[*:1] O=C(NNC(=O)[*:1])[C@@H]1C[C@H]1c1c(F)cccc1Cl
C[C@H](NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2ccccc2c1 O=S(=O)(N1CCOCC1)[*:1] C[C@H](NC(=O)/C=C/c1ccc(cc1)[*:1])c1ccc2ccccc2c1
C[C@H](NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] C[C@H](NC(=O)/C=C/c1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
Cc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCC4)c(=O)c23)cc1 Cc1ccc(cc1)[*:1] Cc1oc2ncn(c(=O)c2c1C(=O)N[*:1])C1CCCC1
Cc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCC4)c(=O)c23)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)NC(=O)c1c(C)oc2ncn(c(=O)c12)[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1cccc(C#N)c1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1ccccc1C(=O)Nc1cccc(C#N)c1)[*:1]
Cc1ccccc1/C=N/NC(=O)c1ccn(Cc2cccc(Br)c2)n1 Brc1cccc(c1)C[*:1] Cc1ccccc1/C=N/NC(=O)c1ccn(n1)[*:1]
Cc1ccccc1/C=N/NC(=O)c1ccn(Cc2cccc(Br)c2)n1 Brc1cccc(c1)[*:1] Cc1ccccc1/C=N/NC(=O)c1ccn(C[*:1])n1
Cc1ccccc1/C=N/NC(=O)c1ccn(Cc2cccc(Br)c2)n1 Cc1ccccc1[*:1] O=C(NN=C[*:1])c1ccn(Cc2cccc(Br)c2)n1
COCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)S2 COC[*:1] O=C1Nc2cc(ccc2S/C1=C\c1cccc(Cl)c1)C(=O)NCC[*:1]
COCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)S2 COCCC[*:1] O=C1Nc2cc(ccc2S/C1=C\c1cccc(Cl)c1)C(=O)N[*:1]
COCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)S2 Clc1cccc(c1)[*:1] COCCCNC(=O)c1ccc2SC(=C[*:1])C(=O)Nc2c1
COCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)S2 COCCCNC(=O)[*:1] O=C1Nc2cc(ccc2S/C1=C\c1cccc(Cl)c1)[*:1]
COCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)S2 COCC[*:1] O=C1Nc2cc(ccc2S/C1=C\c1cccc(Cl)c1)C(=O)NC[*:1]
CC(C)CSCC(=O)N1CCNC1=O CC(C)C[*:1] O=C(CS[*:1])N1CCNC1=O
CC(C)CSCC(=O)N1CCNC1=O CC(C)[*:1] O=C(CSC[*:1])N1CCNC1=O
CCc1n[nH]c(=S)n1NCc1c(OCc2ccccc2F)ccc2ccccc12 Fc1ccccc1C[*:1] CCc1n[nH]c(=S)n1NCc1c(ccc2ccccc12)O[*:1]
CCc1n[nH]c(=S)n1NCc1c(OCc2ccccc2F)ccc2ccccc12 Fc1ccccc1CO[*:1] CCc1n[nH]c(=S)n1NCc1c(ccc2ccccc12)[*:1]
CCc1n[nH]c(=S)n1NCc1c(OCc2ccccc2F)ccc2ccccc12 Fc1ccccc1[*:1] CCc1n[nH]c(=S)n1NCc1c(ccc2ccccc12)OC[*:1]
CSCC[C@H](C(=O)Nc1cc(F)ccc1C)N1C(=O)c2ccccc2C1=O CSC[*:1] Cc1ccc(F)cc1NC(=O)[C@@H](C[*:1])N1C(=O)c2ccccc2C1=O
CSCC[C@H](C(=O)Nc1cc(F)ccc1C)N1C(=O)c2ccccc2C1=O CSCC[*:1] Cc1ccc(F)cc1NC(=O)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
CSCC[C@H](C(=O)Nc1cc(F)ccc1C)N1C(=O)c2ccccc2C1=O Cc1ccc(F)cc1[*:1] CSCC[C@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1[*:1]
COc1nc2ccccc2cc1[C@H]1c2[nH+]c[nH]c2CCN1Cc1ccoc1 c1cc(co1)[*:1] COc1nc2ccccc2cc1[C@H]1c2[nH+]c[nH]c2CCN1C[*:1]
COc1nc2ccccc2cc1[C@H]1c2[nH+]c[nH]c2CCN1Cc1ccoc1 c1cc(co1)C[*:1] COc1nc2ccccc2cc1[C@H]1c2[nH+]c[nH]c2CCN1[*:1]
COc1ccc([C@@H]2C[C@H](C)N(Cc3ccc(CO)o3)C2)cc1 OCc1ccc(o1)[*:1] COc1ccc(cc1)[C@@H]1C[C@H](C)N(C1)C[*:1]
CCc1cccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1 CCc1cccc(c1)[*:1] O=C(Cn1cnc2ccc(Cl)cc2c1=O)N[*:1]
COC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 COC[*:1] O=[N+]([O-])c1ccccc1N1CC[NH+](CC1)C[C@H](O)[*:1]
COC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] COC[C@@H](O)C[NH+]1CCN(CC1)c1ccccc1[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@H](C)CCc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)NNC(=O)N[C@H](C)CC[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@H](C)CCc2ccccc2)o1 c1ccc(cc1)C[*:1] Cc1ccc(o1)C(=O)NNC(=O)N[C@H](C)C[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@H](C)CCc2ccccc2)o1 Cc1ccc(o1)[*:1] C[C@H](CCc1ccccc1)NC(=O)NNC(=O)[*:1]
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCC1 C1CC(C1)[*:1] O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)[*:1]
CCc1nncn1CCNC(=O)c1cc(F)c(F)c(F)c1F CCc1nncn1[*:1] O=C(NCC[*:1])c1cc(F)c(F)c(F)c1F
c1cc(N2CCCCC2)nc(N[C@H]2CCC[NH2+]C2)n1 C1CCN(CC1)[*:1] c1cc(nc(n1)N[C@H]1CCC[NH2+]C1)[*:1]
CS(=O)(=O)CCC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)[O-] O=C([O-])[*:1] CS(=O)(=O)CCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1[*:1]
CS(=O)(=O)CCC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)[O-] CS(=O)(=O)C[*:1] O=C([O-])[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[*:1]
CS(=O)(=O)CCC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)[O-] CS(=O)(=O)CC[*:1] O=C([O-])[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[*:1]
CS(=O)(=O)CCC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)[O-] CS(=O)(=O)[*:1] O=C([O-])[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC[*:1]
CONC[C@H]1COc2ccccc21 CON[*:1] c1ccc2c(c1)OC[C@@H]2C[*:1]
CONC[C@H]1COc2ccccc21 CONC[*:1] c1ccc2c(c1)OC[C@@H]2[*:1]
COCCN(CC(=O)[O-])C(=O)N1CCC[C@@H]1C O=C([O-])C[*:1] COCCN(C(=O)N1CCC[C@@H]1C)[*:1]
COCCN(CC(=O)[O-])C(=O)N1CCC[C@@H]1C O=C([O-])[*:1] COCCN(C[*:1])C(=O)N1CCC[C@@H]1C
COCCN(CC(=O)[O-])C(=O)N1CCC[C@@H]1C COC[*:1] C[C@H]1CCCN1C(=O)N(CC(=O)[O-])C[*:1]
COCCN(CC(=O)[O-])C(=O)N1CCC[C@@H]1C COCC[*:1] C[C@H]1CCCN1C(=O)N(CC(=O)[O-])[*:1]
Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(c3ncccn3)C2)cc1F c1cnc(nc1)[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+]C[C@H]1CCCN(C1)[*:1]
Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(c3ncccn3)C2)cc1F Cc1ccc(cc1F)[*:1] C[C@H]([NH2+]C[C@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1cc(CCC(=O)NC2(C#N)CC2)ccc1Br N#CC1(CC1)[*:1] Cc1cc(ccc1Br)CCC(=O)N[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN2CCCC2=O)c1 CCC[*:1] C[C@H]1CCCN(C(=O)c2cccc(c2)CN2CCCC2=O)[C@@H]1[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(c1)C[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(c1)[*:1]
CN(CC[NH+](C)C)C[C@@H]1CCC(C)(C)[C@H]1[NH3+] C[NH+](C)CC[*:1] CN(C[C@@H]1CCC(C)(C)[C@H]1[NH3+])[*:1]
O=[N+]([O-])c1ccccc1CN[C@H]1CCCSc2ccccc21 O=[N+]([O-])[*:1] c1ccc(c(c1)CN[C@H]1CCCSc2ccccc21)[*:1]
CSCc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 CSC[*:1] Cc1cc(NC(=O)c2ccc(cc2)[*:1])sc1C(=O)[O-]
CSCc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 O=C([O-])[*:1] CSCc1ccc(cc1)C(=O)Nc1cc(C)c(s1)[*:1]
CCOc1ccc(NC(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])N1CC(=O)N2CCc3ccccc3[C@H]2C1
CCOc1ccc(NC(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1 CCOc1ccc(cc1)[*:1] O=C(N[*:1])N1CC(=O)N2CCc3ccccc3[C@H]2C1
Cc1ccc2ncc(C(=O)Oc3cccc(N4CCCC4=O)c3)n2c1 O=C1CCCN1[*:1] Cc1ccc2ncc(C(=O)Oc3cccc(c3)[*:1])n2c1
O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc2c1OCCO2 c1ccc(cc1)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])c1cccc2OCCOc21
O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc2c1OCCO2 c1ccc(nc1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1cccc2OCCOc21
C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+][C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+][C@@H](C)[*:1]
CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)NCc1ccc(C)cc1 c1coc(c1)[*:1] CCn1nc(C)c2c1c(=O)n(C[*:1])c(=O)n2CC(=O)NCc1ccc(C)cc1
CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)NC[*:1]
CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)NCc1ccc(C)cc1 c1coc(c1)C[*:1] CCn1nc(C)c2c1c(=O)n(c(=O)n2CC(=O)NCc1ccc(C)cc1)[*:1]
CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)N[*:1]
Cc1ccccc1-n1cc(C(=O)N2C[C@H](C)OCC2(C)C)cn1 Cc1ccccc1[*:1] C[C@H]1CN(C(=O)c2cnn(c2)[*:1])C(C)(C)CO1
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)CCN1C(=O)CCC1=O)C2 O=C1CCC(=O)N1[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)NC(=O)CC[*:1]
CNc1ccc(Oc2ncnc(OC)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CNc1ccc(cc1)Oc1ncnc(OC)c1[*:1]
COc1ccccc1CS(=O)(=O)Cc1noc(-c2cccs2)n1 c1csc(c1)[*:1] COc1ccccc1CS(=O)(=O)Cc1noc(n1)[*:1]
C=CC[NH2+][C@H](CC(=O)Nc1ccc(C)c(C)c1)C(=O)[O-] O=C([O-])[*:1] C=CC[NH2+][C@H](CC(=O)Nc1ccc(C)c(C)c1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H]1c1cc(on1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1cc(no1)[C@@H]1CCCN1C(=O)[*:1]
CC1(C)C([C@@H](O)c2ccc(-c3ccccc3)cc2)C1(C)C CC1(C)C(C1(C)C)[*:1] O[C@@H](c1ccc(cc1)-c1ccccc1)[*:1]
CC1(C)C([C@@H](O)c2ccc(-c3ccccc3)cc2)C1(C)C c1ccc(cc1)[*:1] CC1(C)C([C@@H](O)c2ccc(cc2)[*:1])C1(C)C
Cc1nnc2n1CCC[C@H]2NC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N[C@H]1CCCC[C@H]1[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N[C@H]1CCCC[C@@H]1C[*:1]
CN(c1ccccc1)c1ccccc1NC(=O)COC(=O)[C@@H]1COCCO1 c1ccc(cc1)[*:1] CN(c1ccccc1NC(=O)COC(=O)[C@@H]1COCCO1)[*:1]
CN(c1ccccc1)c1ccccc1NC(=O)COC(=O)[C@@H]1COCCO1 CN(c1ccccc1)[*:1] O=C(COC(=O)[C@@H]1COCCO1)Nc1ccccc1[*:1]
OCC(CO)[NH2+][C@H](c1ccc(Br)cc1)C1CC1 C1CC1[*:1] OCC(CO)[NH2+][C@H](c1ccc(Br)cc1)[*:1]
Cc1ccccc1/N=C(\N)NC1=N[C@H](CC(=O)Nc2cccc(Cl)c2C)C([O-])=N1 Cc1ccccc1[*:1] Cc1c(Cl)cccc1NC(=O)C[C@H]1N=C(N=C1[O-])NC(N)=N[*:1]
Cc1ccccc1/N=C(\N)NC1=N[C@H](CC(=O)Nc2cccc(Cl)c2C)C([O-])=N1 Cc1c(Cl)cccc1[*:1] Cc1ccccc1/N=C(\N)NC1=N[C@H](CC(=O)N[*:1])C([O-])=N1
COCCCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 CN(C)C(=O)[*:1] COCCCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)[*:1]
COCCCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 COCCC[*:1] CN(C)C(=O)c1ccc2c(c1)N(CC(=O)N[*:1])C(=O)[C@@H]1CCCCN21
COCCCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 COCC[*:1] CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NC[*:1])C(=O)[C@@H]1CCCCN21
COCCCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 COCCCNC(=O)[*:1] CN(C)C(=O)c1ccc2c(c1)N(C[*:1])C(=O)[C@@H]1CCCCN21
COCCCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 COCCCNC(=O)C[*:1] CN(C)C(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCCCN21)[*:1]
COCCCNC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N(C)C)cc21 COC[*:1] CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCC[*:1])C(=O)[C@@H]1CCCCN21
C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C(N)=O NC(=O)[*:1] C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2OCOc2c1)[*:1]
C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C(N)=O c1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1Cc1ccc2OCOc2c1)[*:1])C(N)=O
C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C(N)=O c1cc2OCOc2cc1[*:1] C[C@H](Sc1nnc(-c2ccccc2)n1C[*:1])C(N)=O
C[C@H](NC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1)C1CC1 C1CC1[*:1] C[C@H](NC(=O)N1CCC(CC1)Oc1ccnc(c1)C(N)=O)[*:1]
C[C@H](NC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1)C1CC1 NC(=O)[*:1] C[C@H](NC(=O)N1CCC(CC1)Oc1ccnc(c1)[*:1])C1CC1
C[C@H](NC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1)C1CC1 C[C@H](C1CC1)[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)C(=O)N[*:1]
CCN1CCN(C(=O)[C@H](C)Sc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1 c1coc(c1)[*:1] CCN1CCN(CC1)C(=O)[C@H](C)Sc1nc(cc(n1)[*:1])C(F)(F)F
CCN1CCN(C(=O)[C@H](C)Sc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1 FC(F)(F)[*:1] CCN1CCN(CC1)C(=O)[C@H](C)Sc1nc(cc(n1)[*:1])-c1ccco1
O=c1[nH]c(N2CCc3ccccc3C2)nc2c(-c3ccccc3)csc12 c1ccc(cc1)[*:1] O=c1[nH]c(nc2c(csc12)[*:1])N1CCc2ccccc2C1
CN(C)c1ccc(/C=N/c2ccc(Cc3ccncc3)cc2)cc1 c1cc(ccn1)[*:1] CN(C)c1ccc(/C=N/c2ccc(cc2)C[*:1])cc1
CN(C)c1ccc(/C=N/c2ccc(Cc3ccncc3)cc2)cc1 CN(C)[*:1] C(=N/c1ccc(cc1)Cc1ccncc1)\c1ccc(cc1)[*:1]
CN(C)c1ccc(/C=N/c2ccc(Cc3ccncc3)cc2)cc1 c1cc(ccn1)C[*:1] CN(C)c1ccc(/C=N/c2ccc(cc2)[*:1])cc1
COc1ccc(/C=C2\N=C(/C=C/c3ccccc3)OC2=O)c(OC)c1 C(=C[*:1])c1ccccc1 COc1ccc(/C=C2\N=C(OC2=O)[*:1])c(c1)OC
COc1ccc(/C=C2\N=C(/C=C/c3ccccc3)OC2=O)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(/C=C2\N=C(/C=C[*:1])OC2=O)c(c1)OC
C[C@H](c1ccncc1)[C@H](Br)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@H](c1ccncc1)[C@H](Br)[*:1]
C[C@H]1CN(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)N[C@@H](C1CC1)[*:1]
C[C@H]1CN(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)C[C@H](C)O1 C1CC1[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)N[C@@H](c1ccccc1)[*:1]
CCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2c(c1=O)S[C@@H](C)C2 Fc1ccc(c(F)c1)[*:1] CCn1c(nc2C[C@H](C)Sc2c1=O)SCC(=O)N[*:1]
C[C@H]1COCCN1Cc1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] C[C@H]1COCCN1Cc1ccc(o1)[*:1]
CNC(=O)CN(C)C(=O)NCCOCC(=O)[O-] O=C([O-])[*:1] CNC(=O)CN(C)C(=O)NCCOC[*:1]
CNC(=O)CN(C)C(=O)NCCOCC(=O)[O-] O=C([O-])C[*:1] CNC(=O)CN(C)C(=O)NCCO[*:1]
CNC(=O)CN(C)C(=O)NCCOCC(=O)[O-] O=C([O-])CO[*:1] CNC(=O)CN(C)C(=O)NCC[*:1]
CNC(=O)CN(C)C(=O)NCCOCC(=O)[O-] CNC(=O)C[*:1] CN(C(=O)NCCOCC(=O)[O-])[*:1]
CNC(=O)CN(C)C(=O)NCCOCC(=O)[O-] CNC(=O)[*:1] CN(C[*:1])C(=O)NCCOCC(=O)[O-]
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)c1cccs1)C2=O c1csc(c1)[*:1] C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)[*:1])C2=O
O=C(NC[C@H]1COc2ccccc2O1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1COc2ccccc2O1)N[*:1]
O=C1[C@@H](c2ccsc2)N(c2ccc(Cl)cc2)C(=O)CN1c1ccccc1F c1cc(cs1)[*:1] O=C1[C@@H](N(C(=O)CN1c1ccccc1F)c1ccc(Cl)cc1)[*:1]
O=C1[C@@H](c2ccsc2)N(c2ccc(Cl)cc2)C(=O)CN1c1ccccc1F Fc1ccccc1[*:1] O=C1CN(C(=O)[C@@H](c2ccsc2)N1c1ccc(Cl)cc1)[*:1]
O=C1[C@@H](c2ccsc2)N(c2ccc(Cl)cc2)C(=O)CN1c1ccccc1F Clc1ccc(cc1)[*:1] O=C1[C@@H](c2ccsc2)N(C(=O)CN1c1ccccc1F)[*:1]
CCOc1cc(NC(=O)/C=C/c2ccc(C(=O)NC)cc2)ccc1OC CCO[*:1] CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc(OC)c(c2)[*:1])cc1
CCOc1cc(NC(=O)/C=C/c2ccc(C(=O)NC)cc2)ccc1OC CNC(=O)[*:1] CCOc1cc(ccc1OC)NC(=O)/C=C/c1ccc(cc1)[*:1]
COc1nc(N/N=C/c2cc(Br)ccc2OC)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] COc1nc(nc(n1)[*:1])N/N=C/c1cc(Br)ccc1OC
COc1cccc(C(=O)N2CCc3nc(C4CC[NH+](C)CC4)ncc3C2)c1 COc1cccc(c1)[*:1] C[NH+]1CCC(CC1)c1ncc2CN(CCc2n1)C(=O)[*:1]
CC(C)[C@@H](CO)[NH2+][C@@H]1CCCS[C@H]1C CC(C)[*:1] C[C@@H]1SCCC[C@H]1[NH2+][C@H](CO)[*:1]
COCCCN(C)C(=O)Nc1cccc(C#N)c1 COC[*:1] CN(CC[*:1])C(=O)Nc1cccc(C#N)c1
COCCCN(C)C(=O)Nc1cccc(C#N)c1 COCC[*:1] CN(C[*:1])C(=O)Nc1cccc(C#N)c1
COCCCN(C)C(=O)Nc1cccc(C#N)c1 COCCC[*:1] CN(C(=O)Nc1cccc(C#N)c1)[*:1]
Cc1c(Cl)cnc(NC(=O)COC(=O)CSc2ccc3c(c2)CCC3)c1Cl Cc1c(Cl)cnc(c1Cl)[*:1] O=C(COC(=O)CSc1ccc2CCCc2c1)N[*:1]
Cc1c(Cl)cnc(NC(=O)COC(=O)CSc2ccc3c(c2)CCC3)c1Cl c1cc2CCCc2cc1[*:1] Cc1c(Cl)cnc(NC(=O)COC(=O)CS[*:1])c1Cl
Cc1ccc(-n2cc(C[NH+]3CCC(CO)(Cc4ccccc4)CC3)cn2)cc1 Cc1ccc(cc1)[*:1] OCC1(CC[NH+](CC1)Cc1cnn(c1)[*:1])Cc1ccccc1
Cc1ccc(-n2cc(C[NH+]3CCC(CO)(Cc4ccccc4)CC3)cn2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1cc(cn1)C[NH+]1CCC(CO)(CC1)[*:1]
Cc1ccc(-n2cc(C[NH+]3CCC(CO)(Cc4ccccc4)CC3)cn2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1cc(cn1)C[NH+]1CCC(CO)(CC1)C[*:1]
O=C(CS(=O)(=O)Cc1coc(-c2ccccc2)n1)NCc1ccco1 c1coc(c1)[*:1] O=C(CS(=O)(=O)Cc1coc(n1)-c1ccccc1)NC[*:1]
O=C(CS(=O)(=O)Cc1coc(-c2ccccc2)n1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CS(=O)(=O)Cc1coc(n1)-c1ccccc1)N[*:1]
O=C(CS(=O)(=O)Cc1coc(-c2ccccc2)n1)NCc1ccco1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)Cc1coc(n1)[*:1])NCc1ccco1
COc1ccc(C(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 CC(=O)[*:1] COc1ccc(cc1)C(=O)Nc1cc2OCOc2cc1[*:1]
COC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)CNS(=O)(=O)[*:1]
COC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 COC(=O)[*:1] O=S(=O)(NCc1ccc(cc1)[*:1])c1ccccc1
CC(C)N1C[C@H](C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1=O CC(C)[*:1] O=C(N[C@@H]1CCCN(C1=O)c1ccccc1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)N1C[C@H](C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1=O c1ccc(cc1)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
Cc1ccc(F)cc1NC(=O)N[C@H](C)C(C)C CC(C)[*:1] Cc1ccc(F)cc1NC(=O)N[C@H](C)[*:1]
Cc1ccc(F)cc1NC(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] Cc1ccc(F)cc1NC(=O)N[*:1]
Cc1cccc(N2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)CC2=O)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc2CCCc2c1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1csc(Cc2noc([C@H]3C=C[C@H]([NH3+])C3)n2)n1 Cc1csc(n1)[*:1] [NH3+][C@H]1C=C[C@@H](C1)c1nc(C[*:1])no1
COc1cc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc2c1OCCO2 Fc1ccc(cc1)[*:1] COc1cc(cc2OCCOc12)C[NH+]1CCC(CC1)N[*:1]
COc1cc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc2c1OCCO2 Fc1ccc(cc1)N[*:1] COc1cc(cc2OCCOc12)C[NH+]1CCC(CC1)[*:1]
Cc1cc(F)cc(C(=O)Nc2ccccc2OCc2cscn2)c1 Cc1cc(F)cc(c1)[*:1] O=C(Nc1ccccc1OCc1cscn1)[*:1]
Cc1cc(F)cc(C(=O)Nc2ccccc2OCc2cscn2)c1 c1nc(cs1)C[*:1] Cc1cc(F)cc(c1)C(=O)Nc1ccccc1O[*:1]
Cc1cc(F)cc(C(=O)Nc2ccccc2OCc2cscn2)c1 c1nc(cs1)CO[*:1] Cc1cc(F)cc(c1)C(=O)Nc1ccccc1[*:1]
Cc1cc(F)cc(C(=O)Nc2ccccc2OCc2cscn2)c1 c1nc(cs1)[*:1] Cc1cc(F)cc(c1)C(=O)Nc1ccccc1OC[*:1]
Cc1ccc(NC(=O)N[C@H](C)c2cccc(Cl)c2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@H](C)c1cccc(Cl)c1
Cc1ccc(NC(=O)N[C@H](C)c2cccc(Cl)c2)cc1S(C)(=O)=O Clc1cccc(c1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[C@H](C)[*:1]
C=C(C)CNC(=S)N1CCN(c2ccccc2F)CC1 C=C(C)[*:1] Fc1ccccc1N1CCN(CC1)C(=S)NC[*:1]
C=C(C)CNC(=S)N1CCN(c2ccccc2F)CC1 C=C(C)C[*:1] Fc1ccccc1N1CCN(CC1)C(=S)N[*:1]
O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)Nc1ccccc1 O=C(CC[*:1])Nc1ccccc1 O=c1c2ccccc2n2c(nnc2n1CCc1ccccc1)[*:1]
O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=c1c2ccccc2n2c(C[*:1])nnc2n1CCc1ccccc1
O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=c1c2ccccc2n2c(CC[*:1])nnc2n1CCc1ccccc1
O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)Nc1ccccc1 c1ccc(cc1)CC[*:1] O=C(CCc1nnc2n(c(=O)c3ccccc3n12)[*:1])Nc1ccccc1
O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)N[*:1]
O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)Nc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCc1nnc2n(C[*:1])c(=O)c3ccccc3n12)Nc1ccccc1
O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1nnc2n(CC[*:1])c(=O)c3ccccc3n12)Nc1ccccc1
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 CCCO[*:1] O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccccc1)c1ccc(cc1)[*:1]
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] CCCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1[*:1]
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 c1ccc(nc1)[*:1] CCCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1)[*:1]
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 CCC[*:1] O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccccc1)c1ccc(cc1)O[*:1]
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 CCCOc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2)N1c1ccccn1
C[C@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] C[C@H](C[NH+]1CCCCC1)Nc1ncc(cc1Br)[*:1]
CC(C)(CNS(=O)(=O)c1ccc(F)cc1)[C@@H](O)c1ccccc1 Fc1ccc(cc1)[*:1] CC(C)(CNS(=O)(=O)[*:1])[C@@H](O)c1ccccc1
CC(C)(CNS(=O)(=O)c1ccc(F)cc1)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNS(=O)(=O)c1ccc(F)cc1)[C@@H](O)[*:1]
C[C@H]1CCCCN1c1nc2nc(CC(=O)[O-])cc([O-])n2n1 O=C([O-])C[*:1] C[C@H]1CCCCN1c1nc2nc(cc([O-])n2n1)[*:1]
C[C@H]1CCCCN1c1nc2nc(CC(=O)[O-])cc([O-])n2n1 O=C([O-])[*:1] C[C@H]1CCCCN1c1nc2nc(cc([O-])n2n1)C[*:1]
C[C@H]1CCCCN1c1nc2nc(CC(=O)[O-])cc([O-])n2n1 C[C@H]1CCCCN1[*:1] O=C([O-])Cc1cc([O-])n2nc(nc2n1)[*:1]
Cc1c(NC(=O)/C=C/c2ccncc2)cccc1N1CCOC1=O C(=C[*:1])c1ccncc1 Cc1c(cccc1N1CCOC1=O)NC(=O)[*:1]
Cc1c(NC(=O)/C=C/c2ccncc2)cccc1N1CCOC1=O c1cc(ccn1)[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)C=C[*:1]
Cc1c(NC(=O)/C=C/c2ccncc2)cccc1N1CCOC1=O O=C1OCCN1[*:1] Cc1c(cccc1[*:1])NC(=O)/C=C/c1ccncc1
Cn1c(-c2ccc(Cl)c(Cl)c2)c[nH]/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 Clc1ccc(cc1Cl)[*:1] Cn1c(c[nH]/c1=N\C(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
Cn1c(-c2ccc(Cl)c(Cl)c2)c[nH]/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cn1c(c[nH]/c1=N\C(=O)c1cccc(c1)[*:1])-c1ccc(Cl)c(Cl)c1
COc1ccc(C)cc1NC(=O)C(=O)NCc1cc[nH+]c(N(C)C)c1 CN(C)[*:1] COc1ccc(C)cc1NC(=O)C(=O)NCc1cc[nH+]c(c1)[*:1]
CN(Cc1cccc(C(N)=O)c1)C(=O)[C@H]1C[C@@H]1c1ccccc1F NC(=O)[*:1] CN(Cc1cccc(c1)[*:1])C(=O)[C@H]1C[C@@H]1c1ccccc1F
CN(Cc1cccc(C(N)=O)c1)C(=O)[C@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CN(Cc1cccc(c1)C(N)=O)C(=O)[C@H]1C[C@H]1[*:1]
OCC1(C[NH2+]C2CCN(CCc3ccccc3)CC2)CCOCC1 c1ccc(cc1)[*:1] OCC1(CCOCC1)C[NH2+]C1CCN(CC1)CC[*:1]
OCC1(C[NH2+]C2CCN(CCc3ccccc3)CC2)CCOCC1 c1ccc(cc1)CC[*:1] OCC1(CCOCC1)C[NH2+]C1CCN(CC1)[*:1]
OCC1(C[NH2+]C2CCN(CCc3ccccc3)CC2)CCOCC1 c1ccc(cc1)C[*:1] OCC1(CCOCC1)C[NH2+]C1CCN(CC1)C[*:1]
OCC1(C[NH2+]C2CCN(CCc3ccccc3)CC2)CCOCC1 OCC1(CCOCC1)[*:1] c1ccc(cc1)CCN1CCC(CC1)[NH2+]C[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1nc(C(F)(F)F)cs1 CCC[*:1] C[C@H]1CCCN(C(=O)NCc2nc(cs2)C(F)(F)F)[C@H]1[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1nc(cs1)[*:1]
COc1ncccc1CNC(=O)NC[C@@H](C)N1CCc2ccccc21 COc1ncccc1[*:1] C[C@H](CNC(=O)NC[*:1])N1CCc2ccccc21
COC[C@@](C)(NC(=O)Nc1ccncc1)c1ccccc1 c1cc(ccn1)[*:1] COC[C@@](C)(NC(=O)N[*:1])c1ccccc1
COC[C@@](C)(NC(=O)Nc1ccncc1)c1ccccc1 COC[*:1] C[C@@](NC(=O)Nc1ccncc1)(c1ccccc1)[*:1]
COC[C@@](C)(NC(=O)Nc1ccncc1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@](C)(NC(=O)Nc1ccncc1)[*:1]
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(Cc1ccc(cc1)C(=O)N(C)C)C(=O)[C@H]1C[C@@H]1[*:1]
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1 CN(C)C(=O)[*:1] CCN(Cc1ccc(cc1)[*:1])C(=O)[C@H]1C[C@H]1c1cccc(F)c1
CCn1cnnc1C1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 CC(C)[*:1] CCn1cnnc1C1CCN(CC1)c1cc([nH+]c(n1)[*:1])C(C)C
CCn1cnnc1C1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 CCn1cnnc1[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N1CCC(CC1)[*:1]
CCn1cnnc1C1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 CC(C)[*:1] CCn1cnnc1C1CCN(CC1)c1cc([nH+]c(n1)C(C)C)[*:1]
CCOc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 Cc1ccc(Cl)cc1[*:1] CCOc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCOc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 CCO[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
COCCN(C)C(=O)c1cc(OC)c(C)c(OC)c1 COCC[*:1] COc1cc(cc(OC)c1C)C(=O)N(C)[*:1]
COCCN(C)C(=O)c1cc(OC)c(C)c(OC)c1 COC[*:1] COc1cc(cc(OC)c1C)C(=O)N(C)C[*:1]
O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CCc2ccc(F)cc21 c1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])N[C@@H]1CCc2ccc(F)cc21
Cc1cc(NC(=O)CC[NH+](C)CCO)no1 OCC[*:1] Cc1cc(no1)NC(=O)CC[NH+](C)[*:1]
Cc1cc(C)nc(/N=C(/N)NCc2cccs2)n1 c1csc(c1)[*:1] Cc1cc(C)nc(/N=C(/N)NC[*:1])n1
Cc1cc(C)nc(/N=C(/N)NCc2cccs2)n1 c1csc(c1)C[*:1] Cc1cc(C)nc(/N=C(/N)N[*:1])n1
CN(CCN(C)c1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)COC2 c1ccc(cc1)[*:1] CN(CCN(C)[*:1])C(=O)C(=O)Nc1ccc2COCc2c1
CN(CCN(C)c1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)COC2 CN(c1ccccc1)[*:1] CN(CC[*:1])C(=O)C(=O)Nc1ccc2COCc2c1
CCOc1cc(F)ccc1NCc1cc(F)c(O)c(F)c1 CCO[*:1] Oc1c(F)cc(cc1F)CNc1ccc(F)cc1[*:1]
O=C(CCc1ccc(O)cc1)N/N=C\c1coc2ccccc2c1=O Oc1ccc(cc1)C[*:1] O=C(C[*:1])N/N=C\c1coc2ccccc2c1=O
O=C(CCc1ccc(O)cc1)N/N=C\c1coc2ccccc2c1=O Oc1ccc(cc1)[*:1] O=C(CC[*:1])N/N=C\c1coc2ccccc2c1=O
Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)N[C@H](C)c3cccs3)cnc12 C[C@H](c1cccs1)[*:1] Cc1cc(C)c2c(n1)sc1c(=O)n(cnc12)CC(=O)N[*:1]
Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)N[C@H](C)c3cccs3)cnc12 c1csc(c1)[*:1] Cc1cc(C)c2c(n1)sc1c(=O)n(cnc12)CC(=O)N[C@H](C)[*:1]
Cc1cc(C)n2nc(C(=O)NCC3(c4ccc(F)cc4)CC3)nc2n1 Fc1ccc(cc1)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)NCC1(CC1)[*:1]
C[C@@H](CC(=O)N1CCC(c2nncn2C)CC1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)N1CCC(CC1)c1nncn1C)C[*:1]
C[C@@H](CC(=O)N1CCC(c2nncn2C)CC1)Cc1ccc(Cl)cc1 Cn1cnnc1[*:1] C[C@@H](CC(=O)N1CCC(CC1)[*:1])Cc1ccc(Cl)cc1
C[C@@H](CC(=O)N1CCC(c2nncn2C)CC1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@@H](CC(=O)N1CCC(CC1)c1nncn1C)[*:1]
C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1
C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
Cn1c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1-c1ccco1 FC(F)(F)c1cccc(c1)[*:1] Cn1c(nnc1-c1ccco1)S[C@H](C(=O)N[*:1])c1ccccc1
Cn1c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1-c1ccco1 c1ccc(cc1)[*:1] Cn1c(nnc1-c1ccco1)S[C@H](C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
Cn1c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1-c1ccco1 c1coc(c1)[*:1] Cn1c(nnc1[*:1])S[C@H](C(=O)Nc1cccc(c1)C(F)(F)F)c1ccccc1
Cn1c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1-c1ccco1 FC(F)(F)[*:1] Cn1c(nnc1-c1ccco1)S[C@H](C(=O)Nc1cccc(c1)[*:1])c1ccccc1
Cc1ccoc1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 O=C(N1CCOCC1)[*:1] Cc1ccoc1C(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1ccoc1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 Cc1ccoc1[*:1] O=C(c1ccc(cc1Cl)NC(=O)[*:1])N1CCOCC1
CCC(CC)[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 CCC(CC)[*:1] O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](c1ccccc1)[*:1]
CCC(CC)[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)[*:1]
CCC(CC)[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccccc1 O=c1ccn(c(=O)[nH]1)[*:1] CCC(CC)[C@@H](NC(=O)C[*:1])c1ccccc1
CC1=C(C#N)[C@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 Brc1ccc(cc1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C#N)[*:1]
C[C@H]1CCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H]1CCN(C(=O)N[C@@H]2CC[C@@H](C2)[NH+](C)C)[C@H]1[*:1]
CCS[C@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)C(C)C CCS[*:1] CC(C)[C@@H](C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O)[*:1]
CCS[C@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)C(C)C CS(=O)(=O)[*:1] CCS[C@H](C(=O)Nc1nc2ccc(cc2s1)[*:1])C(C)C
CCS[C@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)C(C)C CC(C)[*:1] CCS[C@H](C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O)[*:1]
Cc1cc2c(C)cc[n+](CCCS(=O)(=O)[O-])c2cc1C O=S(=O)([O-])C[*:1] Cc1cc2c(C)cc[n+](CC[*:1])c2cc1C
Cc1cc2c(C)cc[n+](CCCS(=O)(=O)[O-])c2cc1C O=S(=O)([O-])[*:1] Cc1cc2c(C)cc[n+](CCC[*:1])c2cc1C
Cc1cc2c(C)cc[n+](CCCS(=O)(=O)[O-])c2cc1C O=S(=O)([O-])CC[*:1] Cc1cc2c(C)cc[n+](C[*:1])c2cc1C
C[C@@H](CCl)CS(=O)(=O)N(C)C[C@@H]1CCCO1 C[C@@H](CCl)[*:1] CN(C[C@@H]1CCCO1)S(=O)(=O)C[*:1]
C[C@@H](CCl)CS(=O)(=O)N(C)C[C@@H]1CCCO1 C[C@@H](CCl)C[*:1] CN(C[C@@H]1CCCO1)S(=O)(=O)[*:1]
C[C@@H](CCl)CS(=O)(=O)N(C)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](CCl)CS(=O)(=O)N(C)C[*:1]
CCCNC(=O)[C@@H](C)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C CCCNC(=O)[C@@H](C)[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[*:1]
CCCNC(=O)[C@@H](C)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] CCCNC(=O)[C@@H](C)NC(=O)Cc1c(C)nn(c1C)[*:1]
CCCNC(=O)[C@@H](C)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C CCCNC(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C)[*:1]
CCCNC(=O)[C@@H](C)NC(=O)Cc1c(C)nn(-c2ccccc2)c1C CCC[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C)C(=O)N[*:1]
COc1cccc(CSc2nccn(-c3ccc(C)cc3)c2=O)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-n1ccnc(SC[*:1])c1=O
COc1cccc(CSc2nccn(-c3ccc(C)cc3)c2=O)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)CSc1nccn(c1=O)[*:1]
O=C(/C=C/c1ccc(Cl)cc1)NC[C@H]1CN2CCCC[C@@H]2CO1 Clc1ccc(cc1)[*:1] O=C(C=C[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
COc1ccc2c(c1)OC[C@@H](C(=O)N(C)Cc1cccc(SC)c1)C2 CSc1cccc(c1)[*:1] COc1ccc2C[C@@H](COc2c1)C(=O)N(C)C[*:1]
Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 CC(C)[*:1] Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 Cc1ccc(Cl)cc1[*:1] CC(C)Cn1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 CC(C)C[*:1] Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
COc1cccc(CN(C)Cc2ccc(C)s2)c1 Cc1ccc(s1)[*:1] COc1cccc(c1)CN(C)C[*:1]
Nc1ccc(C(=O)[O-])cc1O[C@@H]1CCOC2(CCC2)C1 O=C([O-])[*:1] Nc1ccc(cc1O[C@@H]1CCOC2(CCC2)C1)[*:1]
C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc2c(c1)OCO2 C1CC1[*:1] C[C@H](Sc1nnc(n1C1CC1)[*:1])C(=O)Nc1ccc2OCOc2c1
C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc2c(c1)OCO2 C1CC1[*:1] C[C@H](Sc1nnc(C2CC2)n1[*:1])C(=O)Nc1ccc2OCOc2c1
O=C(NCc1ccc2c(c1)OCO2)c1cnc2scc(-c3ccc(F)cc3)n2c1=O c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1cnc2scc(-c3ccc(F)cc3)n2c1=O
O=C(NCc1ccc2c(c1)OCO2)c1cnc2scc(-c3ccc(F)cc3)n2c1=O Fc1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)c1cnc2scc(n2c1=O)[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1cnc2scc(-c3ccc(F)cc3)n2c1=O c1cc2OCOc2cc1C[*:1] O=C(N[*:1])c1cnc2scc(-c3ccc(F)cc3)n2c1=O
C[C@H]1CCN(C(=O)c2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 CC(C)(C)OC(=O)[*:1] C[C@H]1CCN(C[C@H]1n1cc[nH+]c1)C(=O)c1ccc(cc1)[*:1]
C[C@H]1CCN(C(=O)c2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 CC(C)(C)[*:1] C[C@H]1CCN(C[C@H]1n1cc[nH+]c1)C(=O)c1ccc(cc1)C(=O)O[*:1]
COc1ccc([C@H]2CC(c3ccc(I)cc3)=Nc3nnnn32)cc1 Ic1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=Nc2nnnn21)[*:1]
COc1ccc([C@H]2CC(c3ccc(I)cc3)=Nc3nnnn32)cc1 COc1ccc(cc1)[*:1] Ic1ccc(cc1)C1C[C@@H](n2nnnc2N=1)[*:1]
C[NH+](CC(=O)Nc1ccccc1C(N)=O)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[NH+](CC(=O)Nc1ccccc1C(N)=O)Cc1cccc(c1)[*:1]
C[NH+](CC(=O)Nc1ccccc1C(N)=O)Cc1cccc(C(F)(F)F)c1 NC(=O)[*:1] C[NH+](CC(=O)Nc1ccccc1[*:1])Cc1cccc(c1)C(F)(F)F
CC[C@H]1CC[C@](C[C@@H]2CCCc3ccccc32)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@H]1CC[C@@](C1)(C[C@@H]1CCCc2ccccc21)[*:1]
C#CCCN1CC[NH+](Cc2cnc(N3CCOCC3)nc2)CC1 C#CC[*:1] c1nc(ncc1C[NH+]1CCN(CC1)C[*:1])N1CCOCC1
C#CCCN1CC[NH+](Cc2cnc(N3CCOCC3)nc2)CC1 C1CN(CCO1)[*:1] C#CCCN1CC[NH+](CC1)Cc1cnc(nc1)[*:1]
C#CCCN1CC[NH+](Cc2cnc(N3CCOCC3)nc2)CC1 C#CCC[*:1] c1nc(ncc1C[NH+]1CCN(CC1)[*:1])N1CCOCC1
O=C(Cn1ccc(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1ccc(n1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
O=C(Cn1ccc(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1ccc(n1)-c1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)C1=C(C)N=C(c2ccc(OC)c(OC)c2)[C@H]1[C@@H]1C(=O)Nc2c(Cl)cccc21 COc1ccc(cc1OC)[*:1] COC(=O)C1=C(C)N=C([C@H]1[C@@H]1C(=O)Nc2c(Cl)cccc21)[*:1]
COC(=O)C1=C(C)N=C(c2ccc(OC)c(OC)c2)[C@H]1[C@@H]1C(=O)Nc2c(Cl)cccc21 COC(=O)[*:1] COc1ccc(cc1OC)C1=NC(C)=C([C@@H]1[C@@H]1C(=O)Nc2c(Cl)cccc21)[*:1]
Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3nn4c(=O)cc(C)nc4s3)C2)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc(=O)n2nc(sc2n1)N1CCC[C@H](C1)C(=O)N[*:1]
C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCN(C1)[C@@H](C)[*:1]
C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 C[C@@H](c1ccccc1)[*:1] C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCN(C1)[*:1]
CCCCCNC(=O)NC1CC[NH+](CC(N)=O)CC1 NC(=O)[*:1] CCCCCNC(=O)NC1CC[NH+](CC1)C[*:1]
CCCCCNC(=O)NC1CC[NH+](CC(N)=O)CC1 CCCCC[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)N[*:1]
CCCCCNC(=O)NC1CC[NH+](CC(N)=O)CC1 CCCC[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)NC[*:1]
CCCCCNC(=O)NC1CC[NH+](CC(N)=O)CC1 NC(=O)C[*:1] CCCCCNC(=O)NC1CC[NH+](CC1)[*:1]
CCCCCNC(=O)NC1CC[NH+](CC(N)=O)CC1 CCC[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)NCC[*:1]
O=C1Nc2ccc(Br)cc2/C1=N/c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] O=C1Nc2ccc(Br)cc2/C1=N/c1ccc(cc1)[*:1]
COC(=O)C[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] COC(=O)C[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccc(cc1)[*:1]
COC(=O)C[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccc(C(C)(C)C)cc1 COC(=O)[*:1] CN1CCO[C@@H](C1)C(=O)N[C@@H](C[*:1])c1ccc(cc1)C(C)(C)C
COC(=O)C[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccc(C(C)(C)C)cc1 COC(=O)C[*:1] CN1CCO[C@@H](C1)C(=O)N[C@H](c1ccc(cc1)C(C)(C)C)[*:1]
COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)c1 O=[N+]([O-])c1ccc(o1)[*:1] COC(=O)c1cccc(C#Cc2cccc(c2)NC(=O)[*:1])c1
COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)c1 COC(=O)[*:1] O=C(Nc1cccc(C#Cc2cccc(c2)[*:1])c1)c1ccc(o1)[N+](=O)[O-]
COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)c1 O=[N+]([O-])[*:1] COC(=O)c1cccc(C#Cc2cccc(c2)NC(=O)c2ccc(o2)[*:1])c1
COc1ccc2c(=O)c(-c3ccc(F)cc3)c(C)oc2c1 Fc1ccc(cc1)[*:1] COc1ccc2c(=O)c(c(C)oc2c1)[*:1]
N#Cc1cccc(CNC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1 N#Cc1cccc(c1)[*:1] O=C(NC[*:1])N(Cc1cccnc1)C[C@H]1CCCO1
N#Cc1cccc(CNC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1 c1cncc(c1)C[*:1] N#Cc1cccc(c1)CNC(=O)N(C[C@H]1CCCO1)[*:1]
N#Cc1cccc(CNC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1 c1cncc(c1)[*:1] N#Cc1cccc(c1)CNC(=O)N(C[C@H]1CCCO1)C[*:1]
O=C(N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1)c1ccsc1 c1cc(cs1)[*:1] O=C1C[C@H](CN1C1Cc2ccccc2C1)NC(=O)[*:1]
CN(C(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)N[C@@H]1CC(=O)N(C1)c1cccc(F)c1)[*:1]
CN(C(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccccc1 Fc1cccc(c1)[*:1] CN(C(=O)N[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1
C=C1C[C@H](O)C[C@@]2(C)CC[C@@H](C(=C)C(=O)[O-])C[C@H]12 O=C([O-])[*:1] C=C1C[C@H](O)C[C@@]2(C)CC[C@H](C[C@H]12)C(=C)[*:1]
C=C1C[C@H](O)C[C@@]2(C)CC[C@@H](C(=C)C(=O)[O-])C[C@H]12 C=C(C(=O)[O-])[*:1] C=C1C[C@H](O)C[C@@]2(C)CC[C@@H](C[C@H]12)[*:1]
Cc1cccc(CNC(=O)Cn2nnc(-c3cccs3)n2)c1 c1csc(c1)[*:1] Cc1cccc(c1)CNC(=O)Cn1nnc(n1)[*:1]
Cc1cccc(CNC(=O)Cn2nnc(-c3cccs3)n2)c1 Cc1cccc(c1)[*:1] O=C(Cn1nnc(n1)-c1cccs1)NC[*:1]
Cc1nc(C)c(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])s1 O=C([O-])[*:1] Cc1nc(C)c(s1)C(=O)N[C@@H](CCS(C)(=O)=O)[*:1]
Cc1nc(C)c(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])s1 CS(=O)(=O)[*:1] Cc1nc(C)c(s1)C(=O)N[C@@H](CC[*:1])C(=O)[O-]
Cc1nc(C)c(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])s1 CS(=O)(=O)CC[*:1] Cc1nc(C)c(s1)C(=O)N[C@@H](C(=O)[O-])[*:1]
Cc1nc(C)c(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])s1 CS(=O)(=O)C[*:1] Cc1nc(C)c(s1)C(=O)N[C@@H](C[*:1])C(=O)[O-]
CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)Nc2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(CC1)C(=O)N[*:1]
CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)Nc2ccccc2Cl)CC1 Fc1ccccc1[*:1] CC(=O)N[C@H](C[*:1])C(=O)NC1CCN(CC1)C(=O)Nc1ccccc1Cl
CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)Nc2ccccc2Cl)CC1 CC(=O)N[*:1] O=C(NC1CCN(CC1)C(=O)Nc1ccccc1Cl)[C@@H](Cc1ccccc1F)[*:1]
CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)Nc2ccccc2Cl)CC1 Fc1ccccc1C[*:1] CC(=O)N[C@H](C(=O)NC1CCN(CC1)C(=O)Nc1ccccc1Cl)[*:1]
Cc1ccc(-c2noc([C@@H](O)CC(C)C)n2)nn1 CC(C)[*:1] Cc1ccc(nn1)-c1noc(n1)[C@@H](O)C[*:1]
Cc1ccc(-c2noc([C@@H](O)CC(C)C)n2)nn1 CC(C)C[*:1] Cc1ccc(nn1)-c1noc(n1)[C@@H](O)[*:1]
Cc1ccc(-c2noc([C@@H](O)CC(C)C)n2)nn1 CC(C)C[C@H](O)[*:1] Cc1ccc(nn1)-c1noc(n1)[*:1]
O=C(Cc1ccc(F)cc1)NCc1nc2ccccc2s1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NCc1nc2ccccc2s1
O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O c1ncc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CCN(C1=O)c1ccc(Cl)c(Cl)c1
O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O Clc1ccc(cc1Cl)[*:1] O=C(Nc1cccc(c1)-c1cnco1)[C@@H]1CCN(C1=O)[*:1]
Fc1ccccc1N1CCN(Cc2cnc(Cl)s2)CC1 Clc1ncc(s1)[*:1] Fc1ccccc1N1CCN(CC1)C[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(F)c(C(F)(F)F)c1 CNC(=O)[*:1] C[C@@H](CN(C)C(=O)c1ccc(F)c(c1)C(F)(F)F)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(F)c(C(F)(F)F)c1 CNC(=O)[C@@H](C)C[*:1] CN(C(=O)c1ccc(F)c(c1)C(F)(F)F)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(F)c(c1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(F)c(C(F)(F)F)c1 CNC(=O)[C@@H](C)[*:1] CN(C[*:1])C(=O)c1ccc(F)c(c1)C(F)(F)F
COc1ccc(C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1[*:1]
COc1ccc(C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
C[C@H](SC[C@@H](O)CO)c1ccc(N)cc1 OC[C@H](O)C[*:1] C[C@H](S[*:1])c1ccc(N)cc1
C[C@H](SC[C@@H](O)CO)c1ccc(N)cc1 OC[C@H](O)[*:1] C[C@H](SC[*:1])c1ccc(N)cc1
CC(C)(C)[C@H](Br)CC[C@H]1CCCc2cccnc21 CC(C)(C)[C@H](Br)[*:1] c1cnc2c(c1)CCC[C@@H]2CC[*:1]
CC(C)(C)[C@H](Br)CC[C@H]1CCCc2cccnc21 CC(C)(C)[*:1] Br[C@H](CC[C@H]1CCCc2cccnc21)[*:1]
CCCC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 CCC[*:1] O=C1c2ccccc2C(=O)N1c1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 CCCC(=O)N[*:1] O=C1c2ccccc2C(=O)N1c1cccc(c1)[*:1]
COCc1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2C)s1 O=[N+]([O-])[*:1] COCc1nnc(NC(=O)COc2ccc(cc2C)[*:1])s1
COCc1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2C)s1 COC[*:1] Cc1cc(ccc1OCC(=O)Nc1nnc(s1)[*:1])[N+](=O)[O-]
CCC[C@@H](C#N)NC(=O)c1cnc2ccc(C)cn12 CCC[*:1] Cc1ccc2ncc(C(=O)N[C@H](C#N)[*:1])n2c1
CCC[C@@H](C#N)NC(=O)c1cnc2ccc(C)cn12 CCC[C@@H](C#N)[*:1] Cc1ccc2ncc(C(=O)N[*:1])n2c1
C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N(CCC#N)c4ccc(F)cc4)c23)C1 N#CC[*:1] C[C@@H]1CCc2c(C1)sc1ncnc(SCC(=O)N(C[*:1])c3ccc(F)cc3)c21
C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N(CCC#N)c4ccc(F)cc4)c23)C1 N#CCC[*:1] C[C@@H]1CCc2c(C1)sc1ncnc(SCC(=O)N(c3ccc(F)cc3)[*:1])c21
C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N(CCC#N)c4ccc(F)cc4)c23)C1 Fc1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc1ncnc(SCC(=O)N(CCC#N)[*:1])c21
COCCOC[C@@H]1CCN(c2ccc(I)c(C)[nH+]2)C1 COCCOC[*:1] Cc1[nH+]c(ccc1I)N1CC[C@H](C1)[*:1]
COCCOC[C@@H]1CCN(c2ccc(I)c(C)[nH+]2)C1 COC[*:1] Cc1[nH+]c(ccc1I)N1CC[C@@H](COC[*:1])C1
COCCOC[C@@H]1CCN(c2ccc(I)c(C)[nH+]2)C1 COCC[*:1] Cc1[nH+]c(ccc1I)N1CC[C@@H](CO[*:1])C1
COCCOC[C@@H]1CCN(c2ccc(I)c(C)[nH+]2)C1 COCCO[*:1] Cc1[nH+]c(ccc1I)N1CC[C@H](C1)C[*:1]
Cc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H]1COc2ccccc2O1
CC(C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)C1 CC(C)[*:1] CN(C[C@@H]1CCCN1C(=O)[C@H]1CCCN(C1)C(=O)[*:1])C(=O)OC(C)(C)C
CC(C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)C1 CN(C(=O)OC(C)(C)C)[*:1] CC(C)C(=O)N1CCC[C@@H](C1)C(=O)N1CCC[C@H]1C[*:1]
CC(C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC(C)C(=O)N1CCC[C@@H](C1)C(=O)N1CCC[C@H]1CN(C)C(=O)O[*:1]
CC(C)Oc1ccccc1[C@H]1CC(O)=Nc2nc(N3CCOCC3)sc21 CC(C)O[*:1] OC1C[C@H](c2ccccc2[*:1])c2sc(nc2N=1)N1CCOCC1
CC(C)Oc1ccccc1[C@H]1CC(O)=Nc2nc(N3CCOCC3)sc21 C1CN(CCO1)[*:1] CC(C)Oc1ccccc1[C@H]1CC(O)=Nc2nc(sc21)[*:1]
CC(C)Oc1ccccc1[C@H]1CC(O)=Nc2nc(N3CCOCC3)sc21 CC(C)[*:1] OC1C[C@H](c2ccccc2O[*:1])c2sc(nc2N=1)N1CCOCC1
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)C2)cc1 CC(=O)NC[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@H](C)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)C2)cc1 CC(=O)N[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@H](C)c1ccc(cc1)CC[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)=O)C2)cc1 CC(=O)NCC[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@H](C)c1ccc(cc1)[*:1]
C[C@@H](Sc1ccncc1)C(=O)Nc1cc(N)ccc1F c1cc(ccn1)[*:1] C[C@@H](S[*:1])C(=O)Nc1cc(N)ccc1F
COc1ccc(CN2C[C@H](C)OC[C@H]2c2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] COc1ccc(cc1[N+](=O)[O-])CN1C[C@H](C)OC[C@@H]1[*:1]
COc1ccc(CN2C[C@H](C)OC[C@H]2c2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CN1C[C@H](C)OC[C@H]1c1ccccc1
COC1=N[C@H]2Nc3ccccc3N(C)[C@@H]2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COC1=N[C@H]2Nc3ccccc3N(C)[C@@H]2[C@H]1[*:1]
CCCN(CC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCCN(CC1CC1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCCN(CC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 C1CC1[*:1] CCCN(C[*:1])C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
CCCN(CC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 C1CC1C[*:1] CCCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)[*:1]
CCCN(CC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 CCC[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)N(CC1CC1)[*:1]
CCc1nn(C)cc1CNC(=O)Nc1ccc(F)c(NC(=O)OC)c1 CCc1nn(C)cc1[*:1] COC(=O)Nc1cc(ccc1F)NC(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)Nc1ccc(F)c(NC(=O)OC)c1 COC(=O)N[*:1] CCc1nn(C)cc1CNC(=O)Nc1ccc(F)c(c1)[*:1]
CCc1nnc(NC(=O)[C@@H](NC(=O)c2ccccc2OC)C(C)C)s1 CCc1nnc(s1)[*:1] COc1ccccc1C(=O)N[C@H](C(=O)N[*:1])C(C)C
CCc1nnc(NC(=O)[C@@H](NC(=O)c2ccccc2OC)C(C)C)s1 CC(C)[*:1] CCc1nnc(NC(=O)[C@@H](NC(=O)c2ccccc2OC)[*:1])s1
CCc1nnc(NC(=O)[C@@H](NC(=O)c2ccccc2OC)C(C)C)s1 COc1ccccc1[*:1] CCc1nnc(NC(=O)[C@@H](NC(=O)[*:1])C(C)C)s1
C[C@@H](C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)c1cccs1 CN(C)C(=O)[*:1] C[C@@H](C(=O)Nc1ccc(F)c(c1)[*:1])c1cccs1
C[C@@H](C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C)[*:1]
CCC[C@H]1CN(Cc2ccc(NC(C)=O)cc2)CC[NH2+]1 CC(=O)N[*:1] CCC[C@H]1CN(CC[NH2+]1)Cc1ccc(cc1)[*:1]
CCC[C@H]1CN(Cc2ccc(NC(C)=O)cc2)CC[NH2+]1 CCC[*:1] CC(=O)Nc1ccc(cc1)CN1CC[NH2+][C@H](C1)[*:1]
COc1ccc2sc(N(Cc3ccccn3)C(=O)COc3ccc(F)cc3)nc2c1 c1ccc(C[*:1])nc1 COc1ccc2sc(nc2c1)N(C(=O)COc1ccc(F)cc1)[*:1]
COc1ccc2sc(N(Cc3ccccn3)C(=O)COc3ccc(F)cc3)nc2c1 Fc1ccc(cc1)O[*:1] COc1ccc2sc(nc2c1)N(Cc1ccccn1)C(=O)C[*:1]
COc1ccc2sc(N(Cc3ccccn3)C(=O)COc3ccc(F)cc3)nc2c1 Fc1ccc(cc1)OC[*:1] COc1ccc2sc(nc2c1)N(Cc1ccccn1)C(=O)[*:1]
COc1ccc2sc(N(Cc3ccccn3)C(=O)COc3ccc(F)cc3)nc2c1 c1ccc(nc1)[*:1] COc1ccc2sc(nc2c1)N(C[*:1])C(=O)COc1ccc(F)cc1
COc1ccc2sc(N(Cc3ccccn3)C(=O)COc3ccc(F)cc3)nc2c1 Fc1ccc(cc1)[*:1] COc1ccc2sc(nc2c1)N(Cc1ccccn1)C(=O)CO[*:1]
Cc1n[nH]cc1C(=O)NNC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1n[nH]cc1C(=O)NNC(=O)c1ccnc(c1)O[*:1]
Cc1n[nH]cc1C(=O)NNC(=O)c1ccnc(OC(C)(C)C)c1 Cc1n[nH]cc1[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NNC(=O)[*:1]
Cc1n[nH]cc1C(=O)NNC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1n[nH]cc1C(=O)NNC(=O)c1ccnc(c1)[*:1]
Cn1ncc2c1CCC[C@H]2NC(=O)CCCC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)CCCC(=O)[*:1]
O=c1oc(-c2cccs2)nn1CN1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=c1oc(nn1CN1CCN(CC1)[*:1])-c1cccs1
O=c1oc(-c2cccs2)nn1CN1CCN(c2ncccc2F)CC1 c1csc(c1)[*:1] O=c1oc(nn1CN1CCN(CC1)c1ncccc1F)[*:1]
O=C(CCCCCO)N/N=C/c1ccc(F)cc1 OCC[*:1] O=C(CCC[*:1])N/N=C/c1ccc(F)cc1
O=C(CCCCCO)N/N=C/c1ccc(F)cc1 OCCC[*:1] O=C(CC[*:1])N/N=C/c1ccc(F)cc1
O=C(CCCCCO)N/N=C/c1ccc(F)cc1 OCCCC[*:1] O=C(C[*:1])N/N=C/c1ccc(F)cc1
O=C(CCCCCO)N/N=C/c1ccc(F)cc1 OCCCCC[*:1] O=C(N/N=C/c1ccc(F)cc1)[*:1]
Cn1cc(C(=O)NNC(=O)Nc2ccc(F)cc2)c2ccccc21 Fc1ccc(cc1)[*:1] Cn1cc(C(=O)NNC(=O)N[*:1])c2ccccc21
O=S(=O)(c1ccccc1F)N1CCC(Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=S(=O)(c1ccccc1F)N1CCC(CC1)[*:1]
O=S(=O)(c1ccccc1F)N1CCC(Cc2ccc(F)cc2)CC1 Fc1ccccc1[*:1] O=S(=O)(N1CCC(CC1)Cc1ccc(F)cc1)[*:1]
O=S(=O)(c1ccccc1F)N1CCC(Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(c1ccccc1F)N1CCC(CC1)C[*:1]
Cc1cc(-c2nnc(CCC(=O)Nc3ccc(C)c(C)c3)o2)n(C)n1 Cc1ccc(cc1C)[*:1] Cc1cc(-c2nnc(CCC(=O)N[*:1])o2)n(C)n1
Cc1cc(-c2nnc(CCC(=O)Nc3ccc(C)c(C)c3)o2)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1ccc(cc1C)NC(=O)CCc1nnc(o1)[*:1]
O=C(NCCc1ccc(F)cc1)c1nc(-c2cccs2)no1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])c1nc(no1)-c1cccs1
O=C(NCCc1ccc(F)cc1)c1nc(-c2cccs2)no1 c1csc(c1)[*:1] O=C(NCCc1ccc(F)cc1)c1nc(no1)[*:1]
CCOc1cc2c(cc1NCc1noc(CC)n1)O[C@@H](C)C2 CCc1nc(no1)[*:1] CCOc1cc2C[C@H](C)Oc2cc1NC[*:1]
CCOc1cc2c(cc1NCc1noc(CC)n1)O[C@@H](C)C2 CCO[*:1] CCc1nc(CNc2cc3O[C@@H](C)Cc3cc2[*:1])no1
CN(C)c1c(Cl)cccc1NC(=O)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] CN(C)c1c(Cl)cccc1NC(=O)c1cccc(c1)[*:1]
CN(C)c1c(Cl)cccc1NC(=O)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] CN(C)c1c(Cl)cccc1NC(=O)c1cccc(c1)C[*:1]
CN(C)c1c(Cl)cccc1NC(=O)c1cccc(CN2CCCC2=O)c1 CN(C)[*:1] O=C(Nc1cccc(Cl)c1[*:1])c1cccc(c1)CN1CCCC1=O
O=C(CCCO)N1CCN(Cc2ccsc2)CC1 OCCC[*:1] O=C(N1CCN(CC1)Cc1ccsc1)[*:1]
O=C(CCCO)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)[*:1] O=C(CCCO)N1CCN(CC1)C[*:1]
O=C(CCCO)N1CCN(Cc2ccsc2)CC1 OCC[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccsc1
O=C(CCCO)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)C[*:1] O=C(CCCO)N1CCN(CC1)[*:1]
COC(=O)c1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 COC(=O)[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(cc3)[*:1])sc2c1
COC(=O)c1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 CS(=O)(=O)[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CCCc1nnc(NC(=O)CSC2=N[C@@H]3[NH+]=c4ccccc4=C3N=N2)s1 CCCc1nnc(s1)[*:1] O=C(CSC1N=NC2=c3ccccc3=[NH+][C@H]2N=1)N[*:1]
CCCc1nnc(NC(=O)CSC2=N[C@@H]3[NH+]=c4ccccc4=C3N=N2)s1 CCC[*:1] O=C(CSC1N=NC2=c3ccccc3=[NH+][C@H]2N=1)Nc1nnc(s1)[*:1]
COc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)CN1CCN(CC1)C(=O)[*:1]
Cc1ccccc1CN1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)CC1 O=C(N[*:1])c1ccccc1 Cc1ccccc1CN1CCN(CC1)C(=O)[C@H](C)[*:1]
Cc1ccccc1CN1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1CN1CCN(CC1)C(=O)[C@H](C)NC(=O)[*:1]
Cc1ccccc1CN1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)CC1 Cc1ccccc1[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(CC1)C[*:1]
Cc1ccccc1CN1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)CC1 Cc1ccccc1C[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(CC1)[*:1]
CCc1sc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1C CCc1sc(cc1C)[*:1] CS(=O)(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
CCc1sc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1C CS(=O)(=O)N[*:1] CCc1sc(cc1C)C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
Cc1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1[N+](=O)[O-] C1CC1[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1[N+](=O)[O-] O=C(NC1CC1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1cccc(c1)[*:1]
Cc1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)Nc1cccc(c1)C(=O)NC1CC1
COc1ccc(NC(=O)c2ccc(Cn3nc(-n4cccc4)c4c(C)cc(C)nc43)cc2)cc1 COc1ccc(cc1)NC(=O)[*:1] Cc1cc(C)c2c(nn(Cc3ccc(cc3)[*:1])c2n1)-n1cccc1
COc1ccc(NC(=O)c2ccc(Cn3nc(-n4cccc4)c4c(C)cc(C)nc43)cc2)cc1 c1ccn(c1)[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)Cn1nc(c2c(C)cc(C)nc21)[*:1]
COc1ccc(NC(=O)c2ccc(Cn3nc(-n4cccc4)c4c(C)cc(C)nc43)cc2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c2c(nn(Cc3ccc(cc3)C(=O)N[*:1])c2n1)-n1cccc1
O=S(=O)(Cc1csc(COc2ccccc2)n1)Cc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 O=S(=O)(Cc1csc(COc2ccccc2)n1)[*:1]
O=S(=O)(Cc1csc(COc2ccccc2)n1)Cc1ccc(Cl)s1 c1ccc(cc1)[*:1] O=S(=O)(Cc1csc(CO[*:1])n1)Cc1ccc(Cl)s1
O=S(=O)(Cc1csc(COc2ccccc2)n1)Cc1ccc(Cl)s1 c1ccc(cc1)O[*:1] O=S(=O)(Cc1csc(C[*:1])n1)Cc1ccc(Cl)s1
O=S(=O)(Cc1csc(COc2ccccc2)n1)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=S(=O)(Cc1csc(COc2ccccc2)n1)C[*:1]
O=S(=O)(Cc1csc(COc2ccccc2)n1)Cc1ccc(Cl)s1 c1ccc(cc1)OC[*:1] O=S(=O)(Cc1csc(n1)[*:1])Cc1ccc(Cl)s1
CCn1ccc([C@H]2C(C(N)=O)=C(C)Nc3ncnn32)n1 NC(=O)[*:1] CCn1ccc(n1)[C@H]1C(=C(C)Nc2ncnn21)[*:1]
CCNC(=O)c1ccc(CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CCNC(=O)c1ccc(cc1)CNC(=O)c1ccc(=O)n(n1)[*:1]
CCNC(=O)c1ccc(CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1 CCNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(=O)n(n1)-c1ccccc1
CCCCNC(=O)[C@H](C)Nc1cc(Br)ccc1OC CCC[*:1] COc1ccc(Br)cc1N[C@@H](C)C(=O)NC[*:1]
CCCCNC(=O)[C@H](C)Nc1cc(Br)ccc1OC CCCC[*:1] COc1ccc(Br)cc1N[C@@H](C)C(=O)N[*:1]
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccccc1 COC[C@H](C)[*:1] N#C/C(=C/c1ccccc1)C(=O)N[*:1]
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccccc1 c1ccc(cc1)[*:1] COC[C@H](C)NC(=O)C(C#N)=C[*:1]
COC[C@H](C)NC(=O)/C(C#N)=C\c1ccccc1 COC[*:1] C[C@H](NC(=O)/C(C#N)=C\c1ccccc1)[*:1]
CC[C@@]1(C)Cc2ccccc2-c2[nH]c(=O)n(C3CCCC3)c(=O)c21 C1CCC(C1)[*:1] CC[C@@]1(C)Cc2ccccc2-c2[nH]c(=O)n(c(=O)c21)[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)N1CCO[C@@H](c2ccccc2)C1 c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)N1CCO[C@H](C1)c1ccccc1)[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N1CCO[C@@H](C1)[*:1])-c1nnco1
CCNC(=O)c1csc(NC(=O)NCc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCNC(=O)c1csc(n1)NC(=O)NC[*:1]
CCNC(=O)c1csc(NC(=O)NCc2ccc(Cl)cc2)n1 CCNC(=O)[*:1] O=C(NCc1ccc(Cl)cc1)Nc1nc(cs1)[*:1]
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1CCN(CC1)C(=O)[*:1]
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1CCN(CC1)C(=O)C=C[*:1]
COc1ccccc1C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 O=S(=O)(NC1CC1)[*:1] COc1ccccc1C(=O)Nc1ccc(F)c(c1)[*:1]
COc1ccccc1C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 C1CC1[*:1] COc1ccccc1C(=O)Nc1ccc(F)c(c1)S(=O)(=O)N[*:1]
COc1ccccc1C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 COc1ccccc1[*:1] O=C(Nc1ccc(F)c(c1)S(=O)(=O)NC1CC1)[*:1]
CC[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 c1cncc(c1)[*:1] CC[NH2+][C@@H](C)c1ccc(cc1)O[*:1]
O=C(COCc1ccccc1Cl)NC[C@H](O)c1ccco1 Clc1ccccc1[*:1] O=C(COC[*:1])NC[C@H](O)c1ccco1
O=C(COCc1ccccc1Cl)NC[C@H](O)c1ccco1 c1coc(c1)[*:1] O=C(COCc1ccccc1Cl)NC[C@H](O)[*:1]
O=C(COCc1ccccc1Cl)NC[C@H](O)c1ccco1 O[C@H](c1ccco1)[*:1] O=C(COCc1ccccc1Cl)NC[*:1]
Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)NC1CCCCC1 c1ccc2c(c1)ncn2[*:1] Cn1c(C[*:1])nnc1SCC(=O)NC1CCCCC1
Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] Cn1c(Cn2cnc3ccccc32)nnc1SC[*:1]
Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)N[*:1]
CCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccccc2CC)C1 CCNC(=O)[*:1] CCc1ccccc1CNC(=O)N1CCC[C@H](C1)[*:1]
CC(=O)C1=C([O-])C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(=O)C1=C([O-])C(=O)N(c2cccc(c2)C(=O)[O-])[C@H]1[*:1]
CC(=O)C1=C([O-])C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 O=C([O-])[*:1] CC(=O)C1=C([O-])C(=O)N(c2cccc(c2)[*:1])[C@@H]1c1ccc(cc1)[N+](=O)[O-]
CC(=O)C1=C([O-])C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 CC(=O)[*:1] O=C([O-])c1cccc(c1)N1C(=O)C([O-])=C([C@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(=O)C1=C([O-])C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)C1=C([O-])C(=O)N(c2cccc(c2)C(=O)[O-])[C@@H]1c1ccc(cc1)[*:1]
CC(=O)C1=C([O-])C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 O=C([O-])c1cccc(c1)[*:1] CC(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1nc(C[C@H](C)C[NH2+]C(C)C)sc1C CC(C)[*:1] Cc1nc(C[C@H](C)C[NH2+][*:1])sc1C
O=C(COc1cc(Cl)cc(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(COc1cc(Cl)cc(Cl)c1)Nc1cccc(c1)C(=O)N[*:1]
O=C(COc1cc(Cl)cc(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(COc1cc(Cl)cc(Cl)c1)Nc1cccc(c1)[*:1]
O=C(COc1cc(Cl)cc(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(CO[*:1])Nc1cccc(c1)C(=O)NC1CC1
CN(CCC#N)S(=O)(=O)N(C)CCc1ccccn1 N#CCC[*:1] CN(CCc1ccccn1)S(=O)(=O)N(C)[*:1]
CN(CCC#N)S(=O)(=O)N(C)CCc1ccccn1 N#CC[*:1] CN(CCc1ccccn1)S(=O)(=O)N(C)C[*:1]
CN(CCC#N)S(=O)(=O)N(C)CCc1ccccn1 c1ccc(nc1)[*:1] CN(CCC#N)S(=O)(=O)N(C)CC[*:1]
O=C(Nc1c(F)cccc1F)C(=O)NC1CCN(c2cccc[nH+]2)CC1 Fc1cccc(F)c1[*:1] O=C(NC1CCN(CC1)c1cccc[nH+]1)C(=O)N[*:1]
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H]1CCc2c(O)cccc21 Fc1ccc(cc1F)[*:1] C[C@H](N(C)C(=O)N[C@H]1CCc2c(O)cccc21)[*:1]
Cn1cc(C[NH+](C)CC2CCOCC2)c(-c2cccnc2)n1 c1cncc(c1)[*:1] Cn1cc(C[NH+](C)CC2CCOCC2)c(n1)[*:1]
Cn1cc(C[NH+](C)CC2CCOCC2)c(-c2cccnc2)n1 C1CC(CCO1)C[*:1] Cn1cc(C[NH+](C)[*:1])c(n1)-c1cccnc1
Cn1cc(C[NH+](C)CC2CCOCC2)c(-c2cccnc2)n1 C1CC(CCO1)[*:1] Cn1cc(C[NH+](C)C[*:1])c(n1)-c1cccnc1
O=C(CN1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CN1C(=O)N[C@H](CC2C[NH+]=c3ccccc3=2)C1=O)NC[*:1]
O=C(CN1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O)NCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C(CN1C(=O)N[C@H](CC2C[NH+]=c3ccccc3=2)C1=O)N[*:1]
COc1cccc2c(C)nc(Nc3nccc(C)n3)nc12 Cc1ccnc(n1)[*:1] COc1cccc2c(C)nc(nc12)N[*:1]
CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1cccc(F)c1 Fc1cccc(c1)[*:1] CCOc1cc(/C=C/[N+](=O)[O-])ccc1OC[*:1]
CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1cccc(F)c1 O=[N+]([O-])C=C[*:1] CCOc1cc(ccc1OCc1cccc(F)c1)[*:1]
CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1cccc(F)c1 O=[N+]([O-])[*:1] CCOc1cc(C=C[*:1])ccc1OCc1cccc(F)c1
CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1cccc(F)c1 CCO[*:1] O=[N+]([O-])/C=C/c1ccc(OCc2cccc(F)c2)c(c1)[*:1]
C[C@H](NC(=O)c1csc2c1CCCC2)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)c1csc2CCCCc12)c1ccc(cc1)[*:1]
C[C@H](CCl)CCc1nc(-c2ccccc2)cs1 C[C@H](CCl)[*:1] c1ccc(cc1)-c1csc(CC[*:1])n1
C[NH+]1CCN([C@H]2CCCCN(C(=O)NCC(C)(C)N3CCOCC3)C2)CC1 CC(C)(N1CCOCC1)[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)NC[*:1]
C[NH+]1CCN([C@H]2CCCCN(C(=O)NCC(C)(C)N3CCOCC3)C2)CC1 C1CN(CCO1)[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)NCC(C)(C)[*:1]
CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2C)cc1 CCS(=O)(=O)[*:1] C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)c1ccc(cc1)[*:1]
CC(=O)Nc1cccc(NC(=O)N(CCc2ccccc2)C2CCCC2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])N(CCc1ccccc1)C1CCCC1
CC(=O)Nc1cccc(NC(=O)N(CCc2ccccc2)C2CCCC2)c1 c1ccc(cc1)CC[*:1] CC(=O)Nc1cccc(c1)NC(=O)N(C1CCCC1)[*:1]
CC(=O)Nc1cccc(NC(=O)N(CCc2ccccc2)C2CCCC2)c1 c1ccc(cc1)C[*:1] CC(=O)Nc1cccc(c1)NC(=O)N(C[*:1])C1CCCC1
CC(=O)Nc1cccc(NC(=O)N(CCc2ccccc2)C2CCCC2)c1 C1CCC(C1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)N(CCc1ccccc1)[*:1]
CC(=O)Nc1cccc(NC(=O)N(CCc2ccccc2)C2CCCC2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)N(CC[*:1])C1CCCC1
O=C(NCc1ccc(F)cc1)c1cnc2sc(N3CCCCCC3)nn2c1=O C1CCCN(CC1)[*:1] O=C(NCc1ccc(F)cc1)c1cnc2sc(nn2c1=O)[*:1]
O=C(NCc1ccc(F)cc1)c1cnc2sc(N3CCCCCC3)nn2c1=O Fc1ccc(cc1)C[*:1] O=C(N[*:1])c1cnc2sc(nn2c1=O)N1CCCCCC1
O=C(NCc1ccc(F)cc1)c1cnc2sc(N3CCCCCC3)nn2c1=O Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1cnc2sc(nn2c1=O)N1CCCCCC1
COCc1c(C(=O)Nc2cc(C)nn2C(C)(C)C)sc2cccc(F)c12 CC(C)(C)[*:1] COCc1c(sc2cccc(F)c12)C(=O)Nc1cc(C)nn1[*:1]
COCc1c(C(=O)Nc2cc(C)nn2C(C)(C)C)sc2cccc(F)c12 COC[*:1] Cc1cc(NC(=O)c2sc3cccc(F)c3c2[*:1])n(n1)C(C)(C)C
COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1 O=C([O-])[*:1] COc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1ccc(/N=C/c2sccc2C)cc1 Cc1ccsc1[*:1] COC(=O)c1ccc(cc1)N=C[*:1]
COC(=O)c1ccc(/N=C/c2sccc2C)cc1 COC(=O)[*:1] Cc1ccsc1/C=N/c1ccc(cc1)[*:1]
Cc1ccc(O)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1 NC(=O)[*:1] Cc1ccc(O)c(c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCNC(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CCNC(=O)CSc1nnc(N2CCCCC2)n1[*:1]
CCNC(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 C1CCN(CC1)[*:1] CCNC(=O)CSc1nnc(n1C[C@@H]1CCCO1)[*:1]
CCNC(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 CCNC(=O)CS[*:1] C1CCN(CC1)c1nnc(n1C[C@@H]1CCCO1)[*:1]
CCNC(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 CCNC(=O)[*:1] C1CCN(CC1)c1nnc(SC[*:1])n1C[C@@H]1CCCO1
CCNC(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 CCNC(=O)C[*:1] C1CCN(CC1)c1nnc(S[*:1])n1C[C@@H]1CCCO1
CCNC(=O)CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCNC(=O)CSc1nnc(N2CCCCC2)n1C[*:1]
COc1ccc(CC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(nn1)Nc1ccc(cc1)NC(=O)C[*:1]
COc1ccc(CC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1 Cc1ccc(nn1)N[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(CC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1 Cc1ccc(nn1)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(cc1)N[*:1]
COC(=O)[C@@]1(C(F)(F)F)N=C(c2ccc(Cl)cc2)OC(N2CCOCC2)=N1 COC(=O)[*:1] FC(F)(F)[C@]1(N=C(OC(=N1)N1CCOCC1)c1ccc(Cl)cc1)[*:1]
COC(=O)[C@@]1(C(F)(F)F)N=C(c2ccc(Cl)cc2)OC(N2CCOCC2)=N1 FC(F)(F)[*:1] COC(=O)[C@]1(N=C(OC(=N1)N1CCOCC1)c1ccc(Cl)cc1)[*:1]
COC(=O)[C@@]1(C(F)(F)F)N=C(c2ccc(Cl)cc2)OC(N2CCOCC2)=N1 Clc1ccc(cc1)[*:1] COC(=O)[C@@]1(N=C(OC(=N1)[*:1])N1CCOCC1)C(F)(F)F
O=C(CCc1ccccc1O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl Oc1ccccc1C[*:1] O=C(C[*:1])N/N=C/c1cc(ccc1Cl)[N+](=O)[O-]
O=C(CCc1ccccc1O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(CCc1ccccc1O)N/N=C/c1cc(ccc1Cl)[*:1]
O=C(CCc1ccccc1O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl Oc1ccccc1[*:1] O=C(CC[*:1])N/N=C/c1cc(ccc1Cl)[N+](=O)[O-]
CCn1nc(C)cc1C(=O)N[C@H](CC(N)=O)C1CCCCC1 C1CCC(CC1)[*:1] CCn1nc(C)cc1C(=O)N[C@H](CC(N)=O)[*:1]
CCn1nc(C)cc1C(=O)N[C@H](CC(N)=O)C1CCCCC1 NC(=O)[*:1] CCn1nc(C)cc1C(=O)N[C@H](C[*:1])C1CCCCC1
CCn1nc(C)cc1C(=O)N[C@H](CC(N)=O)C1CCCCC1 NC(=O)C[*:1] CCn1nc(C)cc1C(=O)N[C@H](C1CCCCC1)[*:1]
Nc1nnc(SCc2ccccc2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Nc1nnc(SCc2ccccc2)n1[*:1]
Nc1nnc(SCc2ccccc2)n1Cc1ccccc1 c1ccc(cc1)[*:1] Nc1nnc(SCc2ccccc2)n1C[*:1]
Nc1nnc(SCc2ccccc2)n1Cc1ccccc1 c1ccc(cc1)[*:1] Nc1nnc(SC[*:1])n1Cc1ccccc1
Nc1nnc(SCc2ccccc2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Nc1nnc(S[*:1])n1Cc1ccccc1
COc1ccc([C@@H](O)[C@H](C)NC(=O)Cc2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)NC(=O)C[*:1]
CCN(C)C(=O)NC[C@H](O)CO OC[C@@H](O)[*:1] CCN(C)C(=O)NC[*:1]
CC[C@](C)(NS(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NS(=O)(=O)c1cc(C)c(Br)s1)[*:1]
O=C(Cn1ncc2ccccc21)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(Cn1ncc2ccccc21)N1CCC[C@@H]1[*:1]
O=C(Cn1ncc2ccccc21)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(Cn1ncc2ccccc21)N1CCC[C@H]1C[*:1]
Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 CC(C)[*:1] Cc1cccc(c1NC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 Cc1cccc(c1[*:1])C(C)C O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1
Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 c1ccc2cc(ccc2c1)[*:1] Cc1cccc(c1NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1])C(C)C
COCC[C@@H](C)NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 COC[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1
COCC[C@@H](C)NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 COCC[*:1] C[C@@H](NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1)[*:1]
COCC[C@@H](C)NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 COCC[C@@H](C)[*:1] O=C(N[*:1])[C@@H]1Cc2[nH+]c[nH]c2CN1
O=C(CSCC(F)(F)F)N[C@@H]1CCCCc2ccccc21 FC(F)(F)C[*:1] O=C(CS[*:1])N[C@@H]1CCCCc2ccccc21
O=C(CSCC(F)(F)F)N[C@@H]1CCCCc2ccccc21 FC(F)(F)[*:1] O=C(CSC[*:1])N[C@@H]1CCCCc2ccccc21
O=C(CSCC(F)(F)F)N[C@@H]1CCCCc2ccccc21 FC(F)(F)CSC[*:1] O=C(N[C@@H]1CCCCc2ccccc21)[*:1]
O=C(CSCC(F)(F)F)N[C@@H]1CCCCc2ccccc21 FC(F)(F)CS[*:1] O=C(C[*:1])N[C@@H]1CCCCc2ccccc21
C[C@@H](O)c1cccn1CCOCCO OCC[*:1] C[C@@H](O)c1cccn1CCO[*:1]
C[C@@H](O)c1cccn1CCOCCO C[C@@H](O)[*:1] OCCOCCn1cccc1[*:1]
C[C@@H](O)c1cccn1CCOCCO OCCO[*:1] C[C@@H](O)c1cccn1CC[*:1]
COc1cc(CCNC(=O)N[C@@H](C)C2CC2)ccc1F C1CC1[*:1] COc1cc(ccc1F)CCNC(=O)N[C@@H](C)[*:1]
COc1cc(CCNC(=O)N[C@@H](C)C2CC2)ccc1F C[C@@H](C1CC1)[*:1] COc1cc(ccc1F)CCNC(=O)N[*:1]
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC2CC2)C1 C1CC1[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc(F)cc1OC[*:1]
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC2CC2)C1 C1CC1CO[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc(F)cc1[*:1]
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC2CC2)C1 C1CC1C[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc(F)cc1O[*:1]
CCCCN/C(N)=[NH+]/C[C@H]1C[C@@]12CCc1ccccc12 CCCC[*:1] N/C(N[*:1])=[NH+]\C[C@H]1C[C@@]12CCc1ccccc12
CCCCN/C(N)=[NH+]/C[C@H]1C[C@@]12CCc1ccccc12 CCC[*:1] N/C(NC[*:1])=[NH+]\C[C@H]1C[C@@]12CCc1ccccc12
C[C@@H](CC(=O)[O-])[S@](=O)C[C@@H]1Cc2ccccc2S1 O=C([O-])C[*:1] C[C@@H]([S@](=O)C[C@@H]1Cc2ccccc2S1)[*:1]
C[C@@H](CC(=O)[O-])[S@](=O)C[C@@H]1Cc2ccccc2S1 O=C([O-])[*:1] C[C@@H](C[*:1])[S@](=O)C[C@@H]1Cc2ccccc2S1
CC[C@H](NC(=O)Cc1ccc[nH]1)c1nc(-c2ccccc2)c[nH]1 c1c[nH]c(c1)C[*:1] CC[C@H](NC(=O)[*:1])c1nc(c[nH]1)-c1ccccc1
CC[C@H](NC(=O)Cc1ccc[nH]1)c1nc(-c2ccccc2)c[nH]1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)Cc1ccc[nH]1)c1nc(c[nH]1)[*:1]
CC[C@H](NC(=O)Cc1ccc[nH]1)c1nc(-c2ccccc2)c[nH]1 c1c[nH]c(c1)[*:1] CC[C@H](NC(=O)C[*:1])c1nc(c[nH]1)-c1ccccc1
COc1ccc2[nH]cc(C(=O)Nc3cccc(O)c3)c(=O)c2c1 Oc1cccc(c1)[*:1] COc1ccc2[nH]cc(C(=O)N[*:1])c(=O)c2c1
O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(I)cc1 Clc1ccccc1[*:1] O=C(CNC(=O)[*:1])Nc1ccc(I)cc1
O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(CNC(=O)c1ccccc1Cl)N[*:1]
C[S@](=O)c1ccc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)NCc1cccc(c1)[*:1]
C[C@H](SCC(=O)Nc1cccc(Cl)c1Cl)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](SCC(=O)Nc1cccc(Cl)c1Cl)[*:1]
CN1C(=O)c2ccccc2Oc2ccc(C(=O)NC3CCCCC3)cc21 C1CCC(CC1)[*:1] CN1C(=O)c2ccccc2Oc2ccc(cc21)C(=O)N[*:1]
CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 CC(C)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)N1CCCCCC1)Nc1ccccc1[*:1]
CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 CC(C)c1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)C(=O)N1CCCCCC1)N[*:1]
CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 O=C(N1CCCCCC1)[*:1] CC(C)c1ccccc1NC(=O)C[NH+]1CCC(CC1)[*:1]
O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C(=O)NC1CCCCC1 C1CN(CCO1)[*:1] O=C(Nc1ccc2nc(sc2c1)[*:1])C(=O)NC1CCCCC1
O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccc2nc(sc2c1)N1CCOCC1)C(=O)N[*:1]
CC[C@@H](CO)NC(=O)c1ccc(N)cc1 CC[C@@H](CO)[*:1] Nc1ccc(cc1)C(=O)N[*:1]
C=CCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 C=CC[*:1] Cc1ccc(cc1)[C@H]1[C@H](CCC(=O)N1C)C(=O)N[*:1]
C=CCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 C=CCNC(=O)[*:1] Cc1ccc(cc1)[C@H]1[C@H](CCC(=O)N1C)[*:1]
C=CCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] C=CCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1[*:1]
O=C(NNc1ccc(F)cc1)c1oc2ccccc2c1COc1ccccc1 c1ccc(cc1)OC[*:1] O=C(NNc1ccc(F)cc1)c1oc2ccccc2c1[*:1]
O=C(NNc1ccc(F)cc1)c1oc2ccccc2c1COc1ccccc1 Fc1ccc(cc1)[*:1] O=C(NN[*:1])c1oc2ccccc2c1COc1ccccc1
O=C(NNc1ccc(F)cc1)c1oc2ccccc2c1COc1ccccc1 c1ccc(cc1)O[*:1] O=C(NNc1ccc(F)cc1)c1oc2ccccc2c1C[*:1]
O=C(NNc1ccc(F)cc1)c1oc2ccccc2c1COc1ccccc1 c1ccc(cc1)[*:1] O=C(NNc1ccc(F)cc1)c1oc2ccccc2c1CO[*:1]
COC(=O)[C@@]1(C)CCN(Cc2ccsc2)C1 c1cc(cs1)[*:1] COC(=O)[C@@]1(C)CCN(C1)C[*:1]
COC(=O)[C@@]1(C)CCN(Cc2ccsc2)C1 COC(=O)[*:1] C[C@]1(CCN(Cc2ccsc2)C1)[*:1]
Cc1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)c(F)c1 c1nc(cs1)[*:1] Cc1ccc(NC(=O)Cn2c(nc3ccccc32)[*:1])c(F)c1
Cc1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(Cn1c(nc2ccccc21)-c1cscn1)N[*:1]
C[C@H](O)CN(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 C[C@H](O)C[*:1] CN(C(=O)N[C@@H](c1ccccc1)C1CCC1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 C[C@H](O)[*:1] CN(C[*:1])C(=O)N[C@@H](c1ccccc1)C1CCC1
C[C@H](O)CN(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 c1ccc(cc1)[*:1] C[C@H](O)CN(C)C(=O)N[C@@H](C1CCC1)[*:1]
C[C@H](O)CN(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 C1CC(C1)[*:1] C[C@H](O)CN(C)C(=O)N[C@@H](c1ccccc1)[*:1]
CCOC(=O)c1c(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)n(C)c1C Cc1cc(Cl)ccc1[*:1] CCOC(=O)c1c(c(C)n(C)c1C)S(=O)(=O)N[*:1]
CCOC(=O)c1c(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)n(C)c1C CCOC(=O)[*:1] Cc1cc(Cl)ccc1NS(=O)(=O)c1c(c(C)n(C)c1C)[*:1]
Cc1cc(-n2cncn2)ccc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 c1ncn(n1)[*:1] Cc1cc(ccc1C(=O)N(C)c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1cc(-n2cncn2)ccc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1cc(ccc1C(=O)N(C)c1ccc(cc1)[*:1])-n1cncn1
C[C@@H](c1cccs1)N(C)C(=O)CSc1ncn[nH]1 c1csc(c1)[*:1] C[C@@H](N(C)C(=O)CSc1ncn[nH]1)[*:1]
C[C@@H](c1cccs1)N(C)C(=O)CSc1ncn[nH]1 c1n[nH]c(n1)[*:1] C[C@@H](c1cccs1)N(C)C(=O)CS[*:1]
C[C@@H](c1cccs1)N(C)C(=O)CSc1ncn[nH]1 c1n[nH]c(n1)S[*:1] C[C@@H](c1cccs1)N(C)C(=O)C[*:1]
CN(CC(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1[N+](=O)[O-] FC(F)(F)[*:1] CN(CC(=O)N[C@H]1CCN(C1)C[*:1])c1ccccc1[N+](=O)[O-]
CN(CC(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1[N+](=O)[O-] FC(F)(F)C[*:1] CN(CC(=O)N[C@H]1CCN(C1)[*:1])c1ccccc1[N+](=O)[O-]
CN(CC(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CC(=O)N[C@H]1CCN(C1)CC(F)(F)F)c1ccccc1[*:1]
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)Sc1ccccc1 c1ccc(cc1)S[*:1] Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)[*:1]
Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)Sc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)S[*:1]
CC(C)n1nc(C(=O)N[C@@H](C)Cc2ccccc2F)c2ccccc2c1=O Fc1ccccc1[*:1] CC(C)n1nc(C(=O)N[C@@H](C)C[*:1])c2ccccc2c1=O
CC(C)n1nc(C(=O)N[C@@H](C)Cc2ccccc2F)c2ccccc2c1=O CC(C)[*:1] C[C@@H](Cc1ccccc1F)NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
CC(C)n1nc(C(=O)N[C@@H](C)Cc2ccccc2F)c2ccccc2c1=O Fc1ccccc1C[*:1] CC(C)n1nc(C(=O)N[C@@H](C)[*:1])c2ccccc2c1=O
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4nc5c(C)cccc5s4)CC3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc2sc(nc12)N1CCN(CC1)C(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4nc5c(C)cccc5s4)CC3)C2)cc1 Cc1cccc2sc(nc12)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
CC[C@@H]1CN(C(=O)CCc2c(C)nc(C)[nH]c2=O)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@@H]1[*:1])C(=O)CCc1c(C)nc(C)[nH]c1=O
CC[C@@H]1CN(C(=O)CCc2c(C)nc(C)[nH]c2=O)CC[C@H]1c1ccccc1 Cc1nc(C)c(c(=O)[nH]1)[*:1] CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)CC[*:1]
C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](Cc1cccc(Cl)c1)NC(=O)[*:1]
CCn1cc(C(=O)NC[C@H]2C[C@@]23CCc2ccccc23)c(C(C)C)n1 CC(C)[*:1] CCn1cc(C(=O)NC[C@H]2C[C@@]23CCc2ccccc23)c(n1)[*:1]
O=C(OCc1nc2ccccc2o1)c1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] O=C(OCc1nc2ccccc2o1)c1ccc(cc1)S(=O)(=O)[*:1]
O=C(OCc1nc2ccccc2o1)c1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] O=C(OCc1nc2ccccc2o1)c1ccc(cc1)[*:1]
COc1ccc(-c2cnn3c(SCC(=O)Nc4ccc5c(c4)OCCO5)cc(C)nc23)cc1OC c1cc2OCCOc2cc1[*:1] COc1ccc(cc1OC)-c1cnn2c(cc(C)nc12)SCC(=O)N[*:1]
COc1ccc(-c2cnn3c(SCC(=O)Nc4ccc5c(c4)OCCO5)cc(C)nc23)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(SCC(=O)Nc2ccc3OCCOc3c2)n2ncc(c2n1)[*:1]
COc1ccc(F)cc1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 c1cncc(c1)O[*:1] COc1ccc(F)cc1C(=O)Nc1ccc(c(C)c1)[*:1]
COc1ccc(F)cc1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 c1cncc(c1)[*:1] COc1ccc(F)cc1C(=O)Nc1ccc(O[*:1])c(C)c1
Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)CC2)c1C Cc1cccc(c1C)[*:1] O=C([C@@H]1CCCN(C1)c1ncnc2c1nc1CCCCCn12)N1CCN(CC1)[*:1]
Cc1ccccc1OCC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 Cc1ccccc1O[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccncc1
Cc1ccccc1OCC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 Cc1ccccc1[*:1] C[C@@H](NC(=O)CO[*:1])c1ccc(cc1)-c1ccncc1
Cc1ccccc1OCC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccccc1OCC(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)c2)c1 COc1cccc(c1)NC(=O)[*:1] O=C(Nc1ccc(F)cc1)C1CCN(CC1)c1cc(ccn1)[*:1]
COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)c2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)c1ccnc(c1)N1CCC(CC1)C(=O)N[*:1]
COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)c2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])c1ccnc(c1)N1CCC(CC1)C(=O)Nc1ccc(F)cc1
COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)c2)c1 O=C(Nc1ccc(F)cc1)[*:1] COc1cccc(c1)NC(=O)c1ccnc(c1)N1CCC(CC1)[*:1]
Cc1ccc(NC(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N[*:1]
COC(=O)c1ccc(C[NH2+][C@H]2CCOc3cc(C)c(C)cc32)cc1OC COC(=O)[*:1] COc1cc(ccc1[*:1])C[NH2+][C@H]1CCOc2cc(C)c(C)cc21
C[NH+]1CCNC(=O)C12CCN(C(=O)c1ccncc1F)CC2 Fc1cnccc1[*:1] C[NH+]1CCNC(=O)C12CCN(CC2)C(=O)[*:1]
CC[NH2+][C@@H](CC[C@H]1CCCO1)c1ccc(Cl)cn1 C1CO[C@H](C1)[*:1] CC[NH2+][C@@H](CC[*:1])c1ccc(Cl)cn1
CC[NH2+][C@@H](CC[C@H]1CCCO1)c1ccc(Cl)cn1 C1CO[C@H](C1)C[*:1] CC[NH2+][C@@H](C[*:1])c1ccc(Cl)cn1
CC(=O)NOCc1nc(-c2ccco2)oc1C c1coc(c1)[*:1] CC(=O)NOCc1nc(oc1C)[*:1]
CC(=O)NOCc1nc(-c2ccco2)oc1C CC(=O)NO[*:1] Cc1oc(nc1C[*:1])-c1ccco1
CCN(C(=O)CNc1ccccc1C(=O)NC)c1ccccc1C CNC(=O)[*:1] CCN(C(=O)CNc1ccccc1[*:1])c1ccccc1C
CCN(C(=O)CNc1ccccc1C(=O)NC)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)CNc1ccccc1C(=O)NC)[*:1]
CN(Cc1ccccc1)C(=O)CC/[NH+]=C(/N)N[C@@H]1CCOc2ccccc21 c1ccc(cc1)C[*:1] CN(C(=O)CC/[NH+]=C(/N)N[C@@H]1CCOc2ccccc21)[*:1]
CN(Cc1ccccc1)C(=O)CC/[NH+]=C(/N)N[C@@H]1CCOc2ccccc21 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CC/[NH+]=C(/N)N[C@@H]1CCOc2ccccc21
Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2cc3ccccc3oc2=O)c1C Cc1ccccc1[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC(=O)c1cc2ccccc2oc1=O
NC(=O)c1ccc(/C=C/C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1cccc(c1)C(=O)N1CCCC1
NC(=O)c1ccc(/C=C/C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 O=C(N1CCCC1)[*:1] NC(=O)c1ccc(/C=C/C(=O)Nc2cccc(c2)[*:1])cc1
NC(=O)c1ccc(/C=C/C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1cccc(c1)C(=O)N1CCCC1
O=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] O=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)[*:1]
O=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)[C@H]1CCOC1 FC(F)(F)[*:1] O=C(NC[C@@H]1Cc2cccc(-c3ccccc3[*:1])c2O1)[C@H]1CCOC1
O=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)[C@H]1CCOC1 O=C(N[*:1])[C@H]1CCOC1 FC(F)(F)c1ccccc1-c1cccc2C[C@@H](C[*:1])Oc21
O=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)[C@H]1CCOC1 O=C(NC[*:1])[C@H]1CCOC1 FC(F)(F)c1ccccc1-c1cccc2C[C@H](Oc21)[*:1]
O=C([O-])c1cnc2sc(N3CCCCCC3)nn2c1=O O=C([O-])[*:1] O=c1c(cnc2sc(nn12)N1CCCCCC1)[*:1]
C[C@](O)(CNC(=O)NCc1ccc(F)cc1)CSc1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNC(=O)NCc1ccc(F)cc1)CS[*:1]
C[C@](O)(CNC(=O)NCc1ccc(F)cc1)CSc1ccccc1 c1ccc(cc1)S[*:1] C[C@](O)(CNC(=O)NCc1ccc(F)cc1)C[*:1]
C[C@](O)(CNC(=O)NCc1ccc(F)cc1)CSc1ccccc1 Fc1ccc(cc1)C[*:1] C[C@](O)(CNC(=O)N[*:1])CSc1ccccc1
C[C@](O)(CNC(=O)NCc1ccc(F)cc1)CSc1ccccc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)NC[*:1])CSc1ccccc1
C[C@](O)(CNC(=O)NCc1ccc(F)cc1)CSc1ccccc1 c1ccc(cc1)SC[*:1] C[C@](O)(CNC(=O)NCc1ccc(F)cc1)[*:1]
Cc1cc2nc3sc(C(=O)N4CCCC4)cc(=O)n3c2cc1C O=C(N1CCCC1)[*:1] Cc1cc2nc3sc(cc(=O)n3c2cc1C)[*:1]
Cc1cc(N2CCC(C(=O)N3CCN(C)CC3)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 CN1CCN(CC1)C(=O)[*:1] Cc1cc(N2CCC(CC2)[*:1])n2nc(C)c(-c3ccc(Cl)cc3)c2n1
Cc1cc(N2CCC(C(=O)N3CCN(C)CC3)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 Clc1ccc(cc1)[*:1] Cc1cc(N2CCC(CC2)C(=O)N2CCN(C)CC2)n2nc(C)c(c2n1)[*:1]
CC(=O)Nc1ccc(C)cc1NC(=O)Cc1cccc(OCC#N)c1 N#CC[*:1] CC(=O)Nc1ccc(C)cc1NC(=O)Cc1cccc(c1)O[*:1]
CC(=O)Nc1ccc(C)cc1NC(=O)Cc1cccc(OCC#N)c1 CC(=O)N[*:1] Cc1ccc(c(c1)NC(=O)Cc1cccc(c1)OCC#N)[*:1]
CC(=O)Nc1ccc(C)cc1NC(=O)Cc1cccc(OCC#N)c1 N#CCO[*:1] CC(=O)Nc1ccc(C)cc1NC(=O)Cc1cccc(c1)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1cccc(C(F)(F)F)c1 Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NNC(=O)/C=C/c1cccc(c1)C(F)(F)F
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1cccc(C(F)(F)F)c1 Fc1ccccc1O[*:1] C[C@H](C(=O)NNC(=O)/C=C/c1cccc(c1)C(F)(F)F)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1cccc(c1)[*:1]
C[NH+](C)C(C)(C)CNC(=O)C(C)(C)n1cc(Br)cn1 Brc1cnn(c1)[*:1] C[NH+](C)C(C)(C)CNC(=O)C(C)(C)[*:1]
O=C([O-])c1cc([N+](=O)[O-])c(NCCC2=CCCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C([O-])c1cc(c(NCCC2=CCCCC2)c(c1)[*:1])[N+](=O)[O-]
O=C([O-])c1cc([N+](=O)[O-])c(NCCC2=CCCCC2)c([N+](=O)[O-])c1 O=C([O-])[*:1] O=[N+]([O-])c1cc(cc(c1NCCC1=CCCCC1)[N+](=O)[O-])[*:1]
CCOc1ccccc1/C=N/Nc1nn2cnnc2c2ccccc12 CCO[*:1] C(=N/Nc1nn2cnnc2c2ccccc12)\c1ccccc1[*:1]
COC[C@@H](NC(=O)N1CCCC[C@H]1C1OCCO1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)N1CCCC[C@H]1C1OCCO1)[*:1]
COC[C@@H](NC(=O)N1CCCC[C@H]1C1OCCO1)c1ccc(F)c(F)c1 C1COC(O1)[*:1] COC[C@@H](NC(=O)N1CCCC[C@@H]1[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)N1CCCC[C@H]1C1OCCO1)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])N1CCCC[C@H]1C1OCCO1
Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)CN(CC(C)C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 CC(C)C[*:1] CC(C)CN(C(=O)[C@@H]1CC(=O)N(C1)C1CCCC1)[*:1]
CC(C)CN(CC(C)C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 CC(C)[*:1] CC(C)CN(C[*:1])C(=O)[C@@H]1CC(=O)N(C1)C1CCCC1
CC(C)CN(CC(C)C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 C1CCC(C1)[*:1] CC(C)CN(CC(C)C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C([O-])CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1 O=C([O-])[*:1] O=C(NC[*:1])/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1
O=C([O-])CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1 O=C([O-])CNC(=O)[*:1] O=C(N/C(=C\c1ccccc1)[*:1])c1ccc(Br)cc1
O=C([O-])CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C([O-])CNC(=O)C(=C[*:1])NC(=O)c1ccc(Br)cc1
O=C([O-])CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C([O-])CNC(=O)/C(=C/c1ccccc1)NC(=O)[*:1]
O=C([O-])CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1 O=C([O-])C[*:1] O=C(N[*:1])/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1
CCSCc1cccc(NC(=O)C(=O)NC[C@H](C)C#N)c1 CCS[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(c1)C[*:1]
CCSCc1cccc(NC(=O)C(=O)NC[C@H](C)C#N)c1 CCSC[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(c1)[*:1]
COc1ccc([C@@H](NC(=O)c2cc(C(N)=O)cn2C)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1cc(cn1C)C(N)=O)[*:1]
COc1ccc([C@@H](NC(=O)c2cc(C(N)=O)cn2C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1cc(cn1C)C(N)=O)[*:1]
COc1ccc([C@@H](NC(=O)c2cc(C(N)=O)cn2C)C(C)C)cc1 NC(=O)[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1cc(cn1C)[*:1])C(C)C
CCNC(=O)c1ccc(N(CCC[NH3+])C2CC2)[nH+]n1 [NH3+]CCC[*:1] CCNC(=O)c1ccc([nH+]n1)N(C1CC1)[*:1]
CCNC(=O)c1ccc(N(CCC[NH3+])C2CC2)[nH+]n1 C1CC1[*:1] CCNC(=O)c1ccc([nH+]n1)N(CCC[NH3+])[*:1]
CCNC(=O)c1ccc(N(CCC[NH3+])C2CC2)[nH+]n1 [NH3+]CC[*:1] CCNC(=O)c1ccc([nH+]n1)N(C[*:1])C1CC1
CCNC(=O)c1ccc(N(CCC[NH3+])C2CC2)[nH+]n1 CCNC(=O)[*:1] [NH3+]CCCN(c1ccc(n[nH+]1)[*:1])C1CC1
COc1cccc(C(=O)NCC#CCOc2cccc(NC(C)=O)c2)c1OC CC(=O)N[*:1] COc1cccc(C(=O)NCC#CCOc2cccc(c2)[*:1])c1OC
O=C(NCC[NH2+]C[C@H]1C[C@@H]2C=C[C@H]1C2)C1CC1 C1CC1[*:1] O=C(NCC[NH2+]C[C@H]1C[C@@H]2C=C[C@H]1C2)[*:1]
C1CC[C@@H]([C@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCOC2)[NH2+]C1 C1C[C@H](CO1)C[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@@H]1[NH2+][*:1]
C1CC[C@@H]([C@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCOC2)[NH2+]C1 C1C[C@H](CO1)[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@@H]1[NH2+]C[*:1]
Cc1c(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cnn1C(C)C Cc1c(cnn1C(C)C)[*:1] CC1CC[NH+](CC1)Cc1ccc(cc1)CNC(=O)[*:1]
Cc1c(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NCc1ccc(cc1)C[NH+]1CCC(C)CC1
C=CCOc1ccc([C@H]2[NH+]=C(N)Nc3nc4ccccc4n32)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])[C@H]1[NH+]=C(N)Nc2nc3ccccc3n21
C=CCOc1ccc([C@H]2[NH+]=C(N)Nc3nc4ccccc4n32)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])[C@H]1[NH+]=C(N)Nc2nc3ccccc3n21
Fc1cccc(-c2nnc3sc(-c4cccn5nnnc45)nn23)c1 Fc1cccc(c1)[*:1] c1cc(-c2nn3c(nnc3s2)[*:1])c2nnnn2c1
COc1cccc([C@@H](CO)NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-c1nnn(CC(=O)N[C@H](CO)[*:1])n1
COc1cccc([C@@H](CO)NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)Cn1nnc(n1)[*:1]
O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(CC1)O[*:1]
O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 O=[N+]([O-])[*:1] Fc1ccc(cc1)COC1CC[NH+](CC1)Cc1cc(F)ccc1[*:1]
O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(CC1)OC[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
COCC[NH+](C)CC(=O)NC(=O)NCc1ccco1 c1coc(c1)C[*:1] COCC[NH+](C)CC(=O)NC(=O)N[*:1]
COCC[NH+](C)CC(=O)NC(=O)NCc1ccco1 COC[*:1] C[NH+](CC(=O)NC(=O)NCc1ccco1)C[*:1]
COCC[NH+](C)CC(=O)NC(=O)NCc1ccco1 c1coc(c1)[*:1] COCC[NH+](C)CC(=O)NC(=O)NC[*:1]
COCC[NH+](C)CC(=O)NC(=O)NCc1ccco1 COCC[*:1] C[NH+](CC(=O)NC(=O)NCc1ccco1)[*:1]
C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])c1ccco1 O=[N+]([O-])[*:1] C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(F)cc1[*:1])c1ccco1
C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[*:1]
CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(C)s2)c1 Cc1cc(sc1C)[*:1] CC(=O)Nc1ccc(F)c(c1)[N-]S(=O)(=O)[*:1]
CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(C)s2)c1 CC(=O)N[*:1] Cc1cc(sc1C)S(=O)(=O)[N-]c1cc(ccc1F)[*:1]
N#C[C@@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)CCO1 FC(F)(F)C[*:1] N#C[C@@H]1CN(CCO1)[C@H]1CCN(C1=O)[*:1]
N#C[C@@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)CCO1 FC(F)(F)[*:1] N#C[C@@H]1CN(CCO1)[C@H]1CCN(C[*:1])C1=O
Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccccc3F)S2)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@@H]1SC(=NC1=O)N1N=C(C[C@H]1[*:1])c1ccccc1)Nc1ccccc1F
Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccccc3F)S2)cc1 O=C(Nc1ccccc1F)[*:1] Cc1ccc(cc1)[C@@H]1CC(=NN1C1=NC(=O)[C@H](C[*:1])S1)c1ccccc1
Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccccc3F)S2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)[C@@H]1CC(=NN1C1=NC(=O)[C@H](CC(=O)N[*:1])S1)c1ccccc1
Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccccc3F)S2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1CC(=NN1C1=NC(=O)[C@H](CC(=O)Nc2ccccc2F)S1)[*:1]
Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccccc3F)S2)cc1 O=C(C[*:1])Nc1ccccc1F Cc1ccc(cc1)[C@@H]1CC(=NN1C1=NC(=O)[C@H](S1)[*:1])c1ccccc1
Cc1ccc([N+](=O)[O-])c(N2CC(O)(C3CC3)C2)c1 C1CC1[*:1] Cc1ccc(c(c1)N1CC(O)(C1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N2CC(O)(C3CC3)C2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N1CC(O)(C1)C1CC1)[*:1]
Cc1ccc(CN(C)Cc2ncnn2C)cc1C Cn1ncnc1[*:1] Cc1ccc(cc1C)CN(C)C[*:1]
O=C(CSC1CCCC1)NC[C@@H]1COc2ccccc2O1 C1CCC(C1)SC[*:1] O=C(NC[C@@H]1COc2ccccc2O1)[*:1]
O=C(CSC1CCCC1)NC[C@@H]1COc2ccccc2O1 C1CCC(C1)[*:1] O=C(CS[*:1])NC[C@@H]1COc2ccccc2O1
O=C(CSC1CCCC1)NC[C@@H]1COc2ccccc2O1 C1CCC(C1)S[*:1] O=C(C[*:1])NC[C@@H]1COc2ccccc2O1
CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)c1cnc(Cl)c(Cl)c1 Clc1cc(cnc1Cl)[*:1] CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)[*:1]
CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)c1cnc(Cl)c(Cl)c1 CC(C)(C)NS(=O)(=O)[*:1] O=C(NCc1ccccc1[*:1])c1cnc(Cl)c(Cl)c1
CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)c1cnc(Cl)c(Cl)c1 CC(C)(C)[*:1] O=C(NCc1ccccc1S(=O)(=O)N[*:1])c1cnc(Cl)c(Cl)c1
O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Br)cc2)N1CCO Oc1ccccc1[*:1] O=C1c2[nH]nc(c2[C@H](c2ccc(Br)cc2)N1CCO)[*:1]
O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Br)cc2)N1CCO OCC[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Br)cc2)N1[*:1]
O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Br)cc2)N1CCO Brc1ccc(cc1)[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](N1CCO)[*:1]
C[C@H](CS)C[NH+](Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CS)C[NH+](Cc1ccccc1)C[*:1]
O=C(NCC[NH+]1CCCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12 O=S(=O)(N1CCCCCC1)[*:1] O=C(NCC[NH+]1CCCCCC1)c1cc(=O)[nH]c2ccc(cc12)[*:1]
C=C(C)CN(CC)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O C=C(C)C[*:1] CCN(C(=O)CN1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-])[*:1]
C=C(C)CN(CC)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O O=[N+]([O-])[*:1] C=C(C)CN(CC)C(=O)CN1C(=O)c2ccc(cc2C1=O)[*:1]
C=C(C)CN(CC)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O C=C(C)[*:1] CCN(C[*:1])C(=O)CN1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-]
O=C(C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cccc2ccccc12 c1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)Nc2nc(nn21)[*:1])Nc1cccc2ccccc12
CCN(Cc1ccccn1)C(=O)Nc1cccc(-c2nnnn2CC)c1 CCn1nnnc1[*:1] CCN(Cc1ccccn1)C(=O)Nc1cccc(c1)[*:1]
CCN(Cc1ccccn1)C(=O)Nc1cccc(-c2nnnn2CC)c1 c1ccc(C[*:1])nc1 CCN(C(=O)Nc1cccc(c1)-c1nnnn1CC)[*:1]
CCN(Cc1ccccn1)C(=O)Nc1cccc(-c2nnnn2CC)c1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)Nc1cccc(c1)-c1nnnn1CC
Cc1cccc2cc(CN(Cc3cccs3)C(=O)[C@@H]3CCCO3)c(=O)[nH]c12 c1csc(c1)[*:1] Cc1cccc2cc(CN(C[*:1])C(=O)[C@@H]3CCCO3)c(=O)[nH]c12
Cc1cccc2cc(CN(Cc3cccs3)C(=O)[C@@H]3CCCO3)c(=O)[nH]c12 c1csc(c1)C[*:1] Cc1cccc2cc(CN(C(=O)[C@@H]3CCCO3)[*:1])c(=O)[nH]c12
[NH3+][C@H](CC(=O)[O-])c1ccc2c(c1)OC(F)(F)O2 O=C([O-])[*:1] [NH3+][C@H](C[*:1])c1ccc2OC(F)(F)Oc2c1
NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(cc1)[*:1]
NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(-n2cccc2)cc1 NC(=O)[*:1] O=C(NCC#CCOc1ccccc1[*:1])c1ccc(cc1)-n1cccc1
NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(-n2cccc2)cc1 NC(=O)c1ccccc1[*:1] O=C(NCC#CCO[*:1])c1ccc(cc1)-n1cccc1
C[C@@H](CNC(=O)NCc1ccccn1)c1nc(-c2ccccc2)no1 c1ccc(C[*:1])nc1 C[C@@H](CNC(=O)N[*:1])c1nc(no1)-c1ccccc1
C[C@@H](CNC(=O)NCc1ccccn1)c1nc(-c2ccccc2)no1 c1ccc(nc1)[*:1] C[C@@H](CNC(=O)NC[*:1])c1nc(no1)-c1ccccc1
C[C@@H](CNC(=O)NCc1ccccn1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NCc1ccccn1)c1nc(no1)[*:1]
Cc1[nH]ncc1S(=O)(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 O=C([O-])[*:1] Cc1[nH]ncc1S(=O)(=O)NC[C@@H]1CC[C@@H](O1)[*:1]
Cc1[nH]ncc1S(=O)(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 Cc1[nH]ncc1[*:1] O=C([O-])[C@@H]1CC[C@@H](CNS(=O)(=O)[*:1])O1
COc1cccc(C(=O)NCC#CCOc2ccccc2F)c1 Fc1ccccc1[*:1] COc1cccc(c1)C(=O)NCC#CCO[*:1]
CCC(CC)C(=O)Nc1ccc2c(C)c(C)c(=O)[nH]c2c1 CCC(CC)[*:1] Cc1c(C)c2ccc(cc2[nH]c1=O)NC(=O)[*:1]
CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(Nc2cccc(F)c2)s1 Fc1cccc(c1)N[*:1] CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(s1)[*:1]
CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(Nc2cccc(F)c2)s1 Fc1cccc(c1)[*:1] CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(N[*:1])s1
CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(Nc2cccc(F)c2)s1 CCC(C)(C)NC(=O)[*:1] C[C@H](Sc1nnc(Nc2cccc(F)c2)s1)[*:1]
CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(Nc2cccc(F)c2)s1 CCC(C)(C)[*:1] C[C@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)N[*:1]
O=C(Nc1ccc(OCC2CCCCC2)cc1)C(=O)N1CC[C@H](O)C1 C1CCC(CC1)CO[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CC[C@H](O)C1
O=C(Nc1ccc(OCC2CCCCC2)cc1)C(=O)N1CC[C@H](O)C1 C1CCC(CC1)C[*:1] O=C(Nc1ccc(cc1)O[*:1])C(=O)N1CC[C@H](O)C1
O=C(Nc1ccc(OCC2CCCCC2)cc1)C(=O)N1CC[C@H](O)C1 C1CCC(CC1)[*:1] O=C(Nc1ccc(cc1)OC[*:1])C(=O)N1CC[C@H](O)C1
COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1ccc(C)nc1C COC(=O)C[*:1] Cc1ccc(C(=O)N(Cc2cccc(F)c2F)C[*:1])c(C)n1
COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1ccc(C)nc1C Cc1ccc(c(C)n1)[*:1] COC(=O)CCN(Cc1cccc(F)c1F)C(=O)[*:1]
COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1ccc(C)nc1C Fc1cccc(c1F)[*:1] COC(=O)CCN(C[*:1])C(=O)c1ccc(C)nc1C
COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1ccc(C)nc1C COC(=O)CC[*:1] Cc1ccc(C(=O)N(Cc2cccc(F)c2F)[*:1])c(C)n1
COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1ccc(C)nc1C COC(=O)[*:1] Cc1ccc(C(=O)N(CC[*:1])Cc2cccc(F)c2F)c(C)n1
CNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccc(OC)c(Cl)c1 CNC(=O)C[*:1] COc1ccc(cc1Cl)-n1c(nnc1-c1ccc(Br)cc1)S[*:1]
CNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccc(OC)c(Cl)c1 CNC(=O)CS[*:1] COc1ccc(cc1Cl)-n1c(nnc1[*:1])-c1ccc(Br)cc1
CNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccc(OC)c(Cl)c1 Brc1ccc(cc1)[*:1] CNC(=O)CSc1nnc(n1-c1ccc(OC)c(Cl)c1)[*:1]
CNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccc(OC)c(Cl)c1 CNC(=O)[*:1] COc1ccc(cc1Cl)-n1c(nnc1-c1ccc(Br)cc1)SC[*:1]
CNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccc(OC)c(Cl)c1 COc1ccc(cc1Cl)[*:1] CNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1[*:1]
C=CCCOCC[NH2+][C@@H]1CCc2cc3c(cc21)OCCO3 C=CCCO[*:1] c1c2CC[C@@H]([NH2+]CC[*:1])c2cc2OCCOc12
C=CCCOCC[NH2+][C@@H]1CCc2cc3c(cc21)OCCO3 C=CC[*:1] c1c2CC[C@@H]([NH2+]CCOC[*:1])c2cc2OCCOc12
C=CCCOCC[NH2+][C@@H]1CCc2cc3c(cc21)OCCO3 C=CCC[*:1] c1c2CC[C@@H]([NH2+]CCO[*:1])c2cc2OCCOc12
C=CCCOCC[NH2+][C@@H]1CCc2cc3c(cc21)OCCO3 C=CCCOC[*:1] c1c2CC[C@@H]([NH2+]C[*:1])c2cc2OCCOc12
C=CCCOCC[NH2+][C@@H]1CCc2cc3c(cc21)OCCO3 C=CCCOCC[*:1] c1c2CC[C@@H]([NH2+][*:1])c2cc2OCCOc12
CN(C)C(=O)C1(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)CCCC1 Clc1cccc(c1)[*:1] CN(C)C(=O)C1(CCCC1)CNC(=O)C(C)(C)C[*:1]
CN(C)C(=O)C1(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)CCCC1 Clc1cccc(c1)C[*:1] CN(C)C(=O)C1(CCCC1)CNC(=O)C(C)(C)[*:1]
CN(C)C(=O)C1(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)CCCC1 CN(C)C(=O)[*:1] CC(C)(Cc1cccc(Cl)c1)C(=O)NCC1(CCCC1)[*:1]
CCOc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 CCO[*:1] O=C([C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1])N1CCN(CC1)c1ccccc1
CCOc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 CCOc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1ccccc1
CCOc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
Cc1ccc2nc(-c3ccc(C)o3)c(NC(=O)C3CCCC3)n2c1 C1CCC(C1)[*:1] Cc1ccc2nc(-c3ccc(C)o3)c(NC(=O)[*:1])n2c1
Cc1ccc2nc(-c3ccc(C)o3)c(NC(=O)C3CCCC3)n2c1 O=C(N[*:1])C1CCCC1 Cc1ccc2nc(-c3ccc(C)o3)c(n2c1)[*:1]
Cc1ccc2nc(-c3ccc(C)o3)c(NC(=O)C3CCCC3)n2c1 Cc1ccc(o1)[*:1] Cc1ccc2nc(c(NC(=O)C3CCCC3)n2c1)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Nc2ccccc2)CC1 COC(=O)[*:1] O=C(Nc1ccccc1)N1CCN(CC1)[C@@H](c1ccc(Cl)cc1)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC1)C(=O)N[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Nc2ccccc2)CC1 Clc1ccc(cc1)[*:1] COC(=O)[C@H](N1CCN(CC1)C(=O)Nc1ccccc1)[*:1]
C[NH2+]C[C@@H](C)[C@H](C)N(Cc1cccs1)C1CC1 C1CC1[*:1] C[NH2+]C[C@@H](C)[C@H](C)N(Cc1cccs1)[*:1]
C[NH2+]C[C@@H](C)[C@H](C)N(Cc1cccs1)C1CC1 c1csc(c1)[*:1] C[NH2+]C[C@@H](C)[C@H](C)N(C[*:1])C1CC1
COc1ccc([C@H](CNC(=O)C[NH+]2CCCC2)c2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)C[NH+]1CCCC1)[*:1]
COc1ccc([C@H](CNC(=O)C[NH+]2CCCC2)c2c[nH]c3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(C[NH+]1CCCC1)NC[C@H](c1c[nH]c2ccccc12)[*:1]
CCOc1ccc2nc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(C)c(C)c3)sc2c1 Cc1ccc(cc1C)[*:1] CCOc1ccc2nc(sc2c1)N(CC[NH+]1CCOCC1)C(=O)[*:1]
CCOc1ccc2nc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(C)c(C)c3)sc2c1 CCO[*:1] Cc1ccc(cc1C)C(=O)N(CC[NH+]1CCOCC1)c1nc2ccc(cc2s1)[*:1]
CNC(=O)CN(C)C(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] CNC(=O)CN(C)C(=O)c1cc(Br)c(OC[*:1])c(c1)OC
CNC(=O)CN(C)C(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 c1ccc(cc1)CO[*:1] CNC(=O)CN(C)C(=O)c1cc(Br)c(c(c1)OC)[*:1]
CNC(=O)CN(C)C(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 c1ccc(cc1)C[*:1] CNC(=O)CN(C)C(=O)c1cc(Br)c(O[*:1])c(c1)OC
CNC(=O)CN(C)C(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 CNC(=O)[*:1] COc1cc(cc(Br)c1OCc1ccccc1)C(=O)N(C)C[*:1]
CNC(=O)CN(C)C(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 CNC(=O)C[*:1] COc1cc(cc(Br)c1OCc1ccccc1)C(=O)N(C)[*:1]
O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)Nc1cccs1 c1csc(c1)[*:1] O=C(NC[C@H](O)c1ccc(cc1)C(F)(F)F)N[*:1]
O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)Nc1cccs1 FC(F)(F)[*:1] O=C(NC[C@H](O)c1ccc(cc1)[*:1])Nc1cccs1
COC(=O)c1cccc(CN2CCN(C(=O)c3ccccc3SC)CCC2=O)c1 COC(=O)[*:1] CSc1ccccc1C(=O)N1CCC(=O)N(CC1)Cc1cccc(c1)[*:1]
COC(=O)c1cccc(CN2CCN(C(=O)c3ccccc3SC)CCC2=O)c1 CSc1ccccc1[*:1] COC(=O)c1cccc(c1)CN1CCN(CCC1=O)C(=O)[*:1]
c1ccc(-n2nccc2CN2CCN(c3[nH+]cnc4ccccc34)CC2)cc1 c1ccc(cc1)[*:1] c1ccc2c([nH+]cnc2c1)N1CCN(CC1)Cc1ccnn1[*:1]
CN1C[C@]2(CCCN(C(=O)c3[nH]cnc3-c3ccccc3)CC2)OC1=O c1ccc(cc1)[*:1] CN1C[C@]2(CCCN(CC2)C(=O)c2[nH]cnc2[*:1])OC1=O
CC(C)N(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O)[*:1]
CC(C)N(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C1CCC1 CC(C)[*:1] O=C1c2ccccc2C(=O)N1c1ccc(cc1)C(=O)N(C1CCC1)[*:1]
O=C(c1ccc(O)cc1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1ccc(O)cc1)N1CCN(CC1)[*:1]
O=C(c1ccc(O)cc1)N1CCN(c2ncccn2)CC1 Oc1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1ncccn1)[*:1]
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC(F)(F)F)C1 NC(=O)[*:1] FC(F)(F)CO[C@@H]1CCC[C@](C1)([NH2+]C1CC1)[*:1]
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC(F)(F)F)C1 FC(F)(F)C[*:1] NC(=O)[C@@]1(CCC[C@H](C1)O[*:1])[NH2+]C1CC1
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC(F)(F)F)C1 FC(F)(F)[*:1] NC(=O)[C@@]1(CCC[C@H](C1)OC[*:1])[NH2+]C1CC1
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC(F)(F)F)C1 C1CC1[*:1] NC(=O)[C@@]1(CCC[C@H](C1)OCC(F)(F)F)[NH2+][*:1]
NC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC(F)(F)F)C1 FC(F)(F)CO[*:1] NC(=O)[C@@]1(CCC[C@@H](C1)[*:1])[NH2+]C1CC1
COc1cccc([C@H](CNC(=O)c2cc(Cl)ccc2O)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1cc(Cl)ccc1O
COc1cccc([C@H](CNC(=O)c2cc(Cl)ccc2O)[NH+]2CCCC2)c1 Oc1ccc(Cl)cc1[*:1] COc1cccc(c1)[C@H](CNC(=O)[*:1])[NH+]1CCCC1
Nc1ccc2cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c2c1 O=S(=O)([O-])[*:1] Nc1ccc2cc(cc(c2c1)[*:1])[N+](=O)[O-]
Nc1ccc2cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c2c1 O=[N+]([O-])[*:1] Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])[*:1]
CC(=O)N[C@@H]1CCN(c2ccc3cc[nH]c3n2)C1 CC(=O)N[*:1] c1cc2ccc(nc2[nH]1)N1CC[C@H](C1)[*:1]
Cc1csc(COc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)n1 c1cc2OCOc2cc1[*:1] Cc1csc(COc2ccc(cc2)C(=O)N2CCN(CC2)C[*:1])n1
Cc1csc(COc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)n1 c1cc2OCOc2cc1C[*:1] Cc1csc(COc2ccc(cc2)C(=O)N2CCN(CC2)[*:1])n1
Cc1csc(COc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)n1 Cc1csc(n1)[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
Cc1csc(COc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)n1 Cc1csc(C[*:1])n1 O=C(c1ccc(cc1)O[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
Cc1csc(COc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)n1 Cc1csc(CO[*:1])n1 O=C(c1ccc(cc1)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
CN(C)c1cc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(-c2ccncc2)n1 Fc1cccc(c1)[*:1] CN(C)c1cc(nc(n1)-c1ccncc1)[C@H]1CCCN(C1)C(=O)[*:1]
CN(C)c1cc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(-c2ccncc2)n1 CN(C)[*:1] O=C(c1cccc(F)c1)N1CCC[C@@H](C1)c1cc(nc(n1)-c1ccncc1)[*:1]
CN(C)c1cc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CN(C)c1cc(nc(n1)[*:1])[C@H]1CCCN(C1)C(=O)c1cccc(F)c1
CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccccc2)C1 CS(=O)(=O)[*:1] c1ccc(cc1)N[C@H]1CCC[C@@H](C1)[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(Br)c(Br)s1 Brc1cc(sc1Br)[*:1] CN(Cc1ccc2OCOc2c1)C(=O)[*:1]
COc1ccc2cc([C@H](C)[NH+]3CCN(C(=O)c4ccco4)CC3)ccc2c1 c1coc(c1)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)[NH+]1CCN(CC1)C(=O)[*:1]
Cc1oc(-c2ccccc2)nc1COC(=O)c1cncc(Br)c1 c1ccc(cc1)[*:1] Cc1oc(nc1COC(=O)c1cncc(Br)c1)[*:1]
Cc1oc(-c2ccccc2)nc1COC(=O)c1cncc(Br)c1 Brc1cncc(c1)[*:1] Cc1oc(nc1COC(=O)[*:1])-c1ccccc1
C[NH2+]Cc1ccc(N2C[C@@H](C)[C@H](C)C2)nc1 C[NH2+]C[*:1] C[C@@H]1CN(C[C@H]1C)c1ccc(cn1)[*:1]
O=C(CCC1CCN(C(=O)C2CCOCC2)CC1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CCC1CCN(CC1)C(=O)C1CCOCC1)N1CCC(CC1)[*:1]
O=C(CCC1CCN(C(=O)C2CCOCC2)CC1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCC1CCN(CC1)C(=O)C1CCOCC1)N1CCC(CC1)C[*:1]
O=C(CCC1CCN(C(=O)C2CCOCC2)CC1)N1CCC(Cc2ccccc2)CC1 C1CC(CCO1)[*:1] O=C(CCC1CCN(CC1)C(=O)[*:1])N1CCC(CC1)Cc1ccccc1
CCn1c(SCC(=O)N2CCC[C@H](C)C2)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N1CCC[C@H](C)C1
CC(C)Oc1ccc(CNc2nc(-c3ccncc3)nc3c2CCC3)cn1 CC(C)[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)NCc1ccc(nc1)O[*:1]
CC(C)Oc1ccc(CNc2nc(-c3ccncc3)nc3c2CCC3)cn1 c1cc(ccn1)[*:1] CC(C)Oc1ccc(cn1)CNc1nc(nc2CCCc21)[*:1]
CC(C)Oc1ccc(CNc2nc(-c3ccncc3)nc3c2CCC3)cn1 CC(C)O[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)NCc1ccc(nc1)[*:1]
CC(C)c1cccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 FC(F)(F)[*:1] CC(C)c1cccc(c1)NC(=O)Cn1c(nc2ccccc21)[*:1]
CC(C)c1cccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 CC(C)[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)Nc1cccc(c1)[*:1]
Cc1cc(C[NH2+][C@@H]2CCCn3c(C)nnc32)ccc1Oc1cccnc1 c1cncc(c1)O[*:1] Cc1cc(ccc1[*:1])C[NH2+][C@@H]1CCCn2c(C)nnc21
Cc1cc(C[NH2+][C@@H]2CCCn3c(C)nnc32)ccc1Oc1cccnc1 c1cncc(c1)[*:1] Cc1cc(ccc1O[*:1])C[NH2+][C@@H]1CCCn2c(C)nnc21
COc1ccccc1COC[C@@H](O)CN1CCn2c(nn(C)c2=O)C1 COc1ccccc1[*:1] Cn1nc2CN(CCn2c1=O)C[C@H](O)COC[*:1]
Cc1cc(C)c(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(/C=N/NC(=O)COc2ccc(cc2)[*:1])c(C)c1
CC(=O)c1cccc(NC(=O)N2CCC(n3cc(C[NH3+])nn3)CC2)c1 CC(=O)[*:1] [NH3+]Cc1cn(nn1)C1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
Cc1noc(CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 Cc1noc(C[*:1])n1 O=C([C@@H]1COc2ccccc2O1)N1CCN(CC1)[*:1]
Cc1noc(CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 Cc1noc(n1)[*:1] O=C([C@@H]1COc2ccccc2O1)N1CCN(CC1)C[*:1]
COC(=O)NN=C1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)NN=C1CCC(CC1)[*:1]
CC(C)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 CC(C)[*:1] CN(CC(=O)N[C@H](c1ccccc1)[*:1])S(=O)(=O)c1ccc(F)cc1
CC(C)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)[*:1]
CC(C)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)CN(C)S(=O)(=O)[*:1])c1ccccc1
CCc1onc(C)c1NC(=O)N[C@H](CC)C(C)(C)c1ccccc1 CCc1onc(C)c1[*:1] CC[C@@H](NC(=O)N[*:1])C(C)(C)c1ccccc1
CCc1onc(C)c1NC(=O)N[C@H](CC)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)N[C@H](CC)C(C)(C)[*:1]
CC(C)Cn1c(SCc2cccc(F)c2)nc2cc(C(=O)NC(C)C)ccc2c1=O Fc1cccc(c1)[*:1] CC(C)Cn1c(nc2cc(ccc2c1=O)C(=O)NC(C)C)SC[*:1]
CC(C)Cn1c(SCc2cccc(F)c2)nc2cc(C(=O)NC(C)C)ccc2c1=O CC(C)[*:1] CC(C)Cn1c(nc2cc(ccc2c1=O)C(=O)N[*:1])SCc1cccc(F)c1
CC(C)Cn1c(SCc2cccc(F)c2)nc2cc(C(=O)NC(C)C)ccc2c1=O CC(C)[*:1] CC(C)NC(=O)c1ccc2c(=O)n(C[*:1])c(nc2c1)SCc1cccc(F)c1
CC(C)Cn1c(SCc2cccc(F)c2)nc2cc(C(=O)NC(C)C)ccc2c1=O Fc1cccc(c1)C[*:1] CC(C)Cn1c(nc2cc(ccc2c1=O)C(=O)NC(C)C)S[*:1]
CC(C)Cn1c(SCc2cccc(F)c2)nc2cc(C(=O)NC(C)C)ccc2c1=O CC(C)NC(=O)[*:1] CC(C)Cn1c(nc2cc(ccc2c1=O)[*:1])SCc1cccc(F)c1
CC(C)Cn1c(SCc2cccc(F)c2)nc2cc(C(=O)NC(C)C)ccc2c1=O CC(C)C[*:1] CC(C)NC(=O)c1ccc2c(=O)n(c(nc2c1)SCc1cccc(F)c1)[*:1]
CC(C)Cn1c(SCc2cccc(F)c2)nc2cc(C(=O)NC(C)C)ccc2c1=O Fc1cccc(c1)CS[*:1] CC(C)Cn1c(nc2cc(ccc2c1=O)C(=O)NC(C)C)[*:1]
O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 c1nnnn1[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)[C@H]1CCCN1S(=O)(=O)[*:1]
CN(C)C(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCCCC2)c1 CN(C)C(=O)[*:1] O=S(=O)(NCCC[NH+]1CCCCC1)c1cccc(c1)[*:1]
O=S(=O)(/N=C(\[O-])[C@@H]1C[C@H]1c1ccccc1Cl)C1CCCC1 C1CCC(C1)[*:1] O=S(=O)(/N=C(\[O-])[C@@H]1C[C@H]1c1ccccc1Cl)[*:1]
O=S(=O)(/N=C(\[O-])[C@@H]1C[C@H]1c1ccccc1Cl)C1CCCC1 Clc1ccccc1[*:1] O=S(=O)(/N=C(\[O-])[C@@H]1C[C@@H]1[*:1])C1CCCC1
CCc1ccc(O)c(NC(=O)CCc2cscn2)c1 c1nc(cs1)C[*:1] CCc1ccc(O)c(c1)NC(=O)C[*:1]
CCc1ccc(O)c(NC(=O)CCc2cscn2)c1 c1nc(cs1)[*:1] CCc1ccc(O)c(c1)NC(=O)CC[*:1]
C/C(=N\NC(=O)COc1cccc(C)c1C)c1cccc(NC(=O)c2ccc(C)s2)c1 Cc1ccc(s1)[*:1] C/C(=N\NC(=O)COc1cccc(C)c1C)c1cccc(c1)NC(=O)[*:1]
C/C(=N\NC(=O)COc1cccc(C)c1C)c1cccc(NC(=O)c2ccc(C)s2)c1 Cc1cccc(c1C)[*:1] C/C(=N\NC(=O)CO[*:1])c1cccc(c1)NC(=O)c1ccc(C)s1
C/C(=N\NC(=O)COc1cccc(C)c1C)c1cccc(NC(=O)c2ccc(C)s2)c1 Cc1cccc(O[*:1])c1C C/C(=N\NC(=O)C[*:1])c1cccc(c1)NC(=O)c1ccc(C)s1
C/C(=N\NC(=O)COc1cccc(C)c1C)c1cccc(NC(=O)c2ccc(C)s2)c1 Cc1cccc(OC[*:1])c1C C/C(=N\NC(=O)[*:1])c1cccc(c1)NC(=O)c1ccc(C)s1
C/C(=N\NC(=O)COc1cccc(C)c1C)c1cccc(NC(=O)c2ccc(C)s2)c1 Cc1ccc(s1)C(=O)N[*:1] C/C(=N\NC(=O)COc1cccc(C)c1C)c1cccc(c1)[*:1]
CCOc1cc2c(cc1NC(=O)c1cn3cccnc3n1)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)NC(=O)c1cn2cccnc2n1)[*:1]
Cc1cc(OCCCC(=O)N(C(C)C)C(C)C)cc(C)c1Cl CC(C)[*:1] Cc1cc(cc(C)c1Cl)OCCCC(=O)N(C(C)C)[*:1]
CC[C@H](C)Sc1nc2ccccc2n1C CC[C@H](C)S[*:1] Cn1c(nc2ccccc21)[*:1]
CC[C@H](C)Sc1nc2ccccc2n1C CC[C@H](C)[*:1] Cn1c(nc2ccccc21)S[*:1]
CC1(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)Cc2ccccc2C1 c1coc(c1)C[*:1] CC1(CNC(=O)[C@@H]2CC(=O)N(C2)[*:1])Cc2ccccc2C1
CC1(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)Cc2ccccc2C1 c1coc(c1)[*:1] CC1(CNC(=O)[C@@H]2CC(=O)N(C2)C[*:1])Cc2ccccc2C1
CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1cc(C)c(Br)s1 CCO[*:1] Cc1cc(sc1Br)C(=O)N[C@H]1[C@@H]([NH3+])C[C@H]1[*:1]
CC(C)NC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C C1CC1[*:1] CC(C)NC(=O)N[C@H](c1nc(no1)[*:1])C(C)C
CC(C)NC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C CC(C)[*:1] CC(C)[C@H](NC(=O)N[*:1])c1nc(no1)C1CC1
CC(C)NC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C CC(C)[*:1] CC(C)NC(=O)N[C@H](c1nc(no1)C1CC1)[*:1]
CC(C)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1 Fc1cccc(c1)[*:1] CC(C)c1ccc(cc1)NC(=O)N1CCO[C@@H](C1)[*:1]
CC(C)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCO[C@H](C1)c1cccc(F)c1
N#CCc1ccccc1Oc1ccccc1 N#CC[*:1] c1ccc(cc1)Oc1ccccc1[*:1]
C[C@@H]1CN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3n(Cc3ccccc3)c2=O)CCO1 FC(F)(F)[*:1] C[C@@H]1CN(CCO1)C(=O)CCc1nc2cc(ccc2n(Cc2ccccc2)c1=O)[*:1]
C[C@@H]1CN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3n(Cc3ccccc3)c2=O)CCO1 c1ccc(cc1)[*:1] C[C@@H]1CN(CCO1)C(=O)CCc1nc2cc(ccc2n(C[*:1])c1=O)C(F)(F)F
C[C@@H]1CN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3n(Cc3ccccc3)c2=O)CCO1 c1ccc(cc1)C[*:1] C[C@@H]1CN(CCO1)C(=O)CCc1nc2cc(ccc2n(c1=O)[*:1])C(F)(F)F
O=[S@](CCc1ccccc1)Cc1nc(-c2ccco2)no1 c1ccc(cc1)[*:1] O=[S@](CC[*:1])Cc1nc(no1)-c1ccco1
O=[S@](CCc1ccccc1)Cc1nc(-c2ccco2)no1 c1ccc(cc1)C[*:1] O=[S@@](Cc1nc(no1)-c1ccco1)C[*:1]
O=[S@](CCc1ccccc1)Cc1nc(-c2ccco2)no1 c1coc(c1)[*:1] O=[S@](CCc1ccccc1)Cc1nc(no1)[*:1]
Cc1ccccc1NCC(=O)N/N=C/c1ccc([N+](=O)[O-])c([O-])c1 O=[N+]([O-])[*:1] Cc1ccccc1NCC(=O)N/N=C/c1ccc(c([O-])c1)[*:1]
Cc1ccccc1NCC(=O)N/N=C/c1ccc([N+](=O)[O-])c([O-])c1 Cc1ccccc1[*:1] O=C(CN[*:1])N/N=C/c1ccc(c([O-])c1)[N+](=O)[O-]
Cc1ccccc1NCC(=O)N/N=C/c1ccc([N+](=O)[O-])c([O-])c1 Cc1ccccc1N[*:1] O=C(C[*:1])N/N=C/c1ccc(c([O-])c1)[N+](=O)[O-]
O=C(NC[C@H](c1ccco1)N1CCOCC1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H](c1ccco1)N1CCOCC1)NC(c1ccccc1)[*:1]
O=C(NC[C@H](c1ccco1)N1CCOCC1)NC(c1ccccc1)c1ccccc1 C1CN(CCO1)[*:1] O=C(NC[C@H](c1ccco1)[*:1])NC(c1ccccc1)c1ccccc1
O=C(NC[C@H](c1ccco1)N1CCOCC1)NC(c1ccccc1)c1ccccc1 c1coc(c1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])NC(c1ccccc1)c1ccccc1
COc1cccc(C(=O)Nc2sc(SC)nc2-c2ccccc2)c1OC c1ccc(cc1)[*:1] COc1cccc(C(=O)Nc2sc(nc2[*:1])SC)c1OC
Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccccc1Cl Clc1ccccc1C[*:1] Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1[*:1]
Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccccc1Cl Clc1ccccc1[*:1] Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1C[*:1]
COC(=O)c1cccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)c1 c1cnn(c1)[*:1] COC(=O)c1cccc(c1)C(=O)Nc1cccc(Cl)c1[*:1]
COC(=O)c1cccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)c1 COC(=O)[*:1] O=C(Nc1cccc(Cl)c1-n1cccn1)c1cccc(c1)[*:1]
CC(C)C[C@@H](CNC(=O)N1CC[C@@H](Nc2ccccc2)C1)N1CCOCC1 c1ccc(cc1)[*:1] CC(C)C[C@@H](CNC(=O)N1CC[C@H](C1)N[*:1])N1CCOCC1
CC(C)C[C@@H](CNC(=O)N1CC[C@@H](Nc2ccccc2)C1)N1CCOCC1 c1ccc(cc1)N[*:1] CC(C)C[C@@H](CNC(=O)N1CC[C@@H](C1)[*:1])N1CCOCC1
CC(C)C[C@@H](CNC(=O)N1CC[C@@H](Nc2ccccc2)C1)N1CCOCC1 CC(C)[*:1] O=C(NC[C@H](C[*:1])N1CCOCC1)N1CC[C@H](C1)Nc1ccccc1
CC(C)C[C@@H](CNC(=O)N1CC[C@@H](Nc2ccccc2)C1)N1CCOCC1 CC(C)C[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])N1CC[C@H](C1)Nc1ccccc1
CC(C)C[C@@H](CNC(=O)N1CC[C@@H](Nc2ccccc2)C1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@@H](CNC(=O)N1CC[C@H](C1)Nc1ccccc1)[*:1]
C[C@H](CCO)S[C@H]1CC[C@]([NH2+]C2CC2)(C(=O)[O-])C1 C1CC1[*:1] C[C@H](CCO)S[C@H]1CC[C@](C1)([NH2+][*:1])C(=O)[O-]
C[C@H](CCO)S[C@H]1CC[C@]([NH2+]C2CC2)(C(=O)[O-])C1 O=C([O-])[*:1] C[C@H](CCO)S[C@H]1CC[C@@](C1)([NH2+]C1CC1)[*:1]
C[C@H](CCO)S[C@H]1CC[C@]([NH2+]C2CC2)(C(=O)[O-])C1 C[C@H](CCO)[*:1] O=C([O-])[C@]1(CC[C@@H](C1)S[*:1])[NH2+]C1CC1
C[C@H](CCO)S[C@H]1CC[C@]([NH2+]C2CC2)(C(=O)[O-])C1 C[C@H](CCO)S[*:1] O=C([O-])[C@]1(CC[C@@H](C1)[*:1])[NH2+]C1CC1
C[C@H](CCO)S[C@H]1CC[C@]([NH2+]C2CC2)(C(=O)[O-])C1 OCC[*:1] C[C@H](S[C@H]1CC[C@](C1)([NH2+]C1CC1)C(=O)[O-])[*:1]
COc1ccc(NC(=O)N[C@@H](C)Cc2cccs2)cc1[N-]S(C)(=O)=O c1csc(c1)[*:1] COc1ccc(cc1[N-]S(C)(=O)=O)NC(=O)N[C@@H](C)C[*:1]
COc1ccc(NC(=O)N[C@@H](C)Cc2cccs2)cc1[N-]S(C)(=O)=O c1csc(c1)C[*:1] COc1ccc(cc1[N-]S(C)(=O)=O)NC(=O)N[C@@H](C)[*:1]
COc1ccc(NC(=O)N[C@@H](C)Cc2cccs2)cc1[N-]S(C)(=O)=O C[C@@H](Cc1cccs1)[*:1] COc1ccc(cc1[N-]S(C)(=O)=O)NC(=O)N[*:1]
CCOc1ccc2c(c1)=[NH+][C@@H](SCC(=O)N[C@@H]1Nc3cc(OC)ccc3S1)[NH+]=2 CCO[*:1] COc1ccc2S[C@H](NC(=O)CS[C@H]3[NH+]=c4ccc(cc4=[NH+]3)[*:1])Nc2c1
N#CCn1c(COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc2ccccc2c1=O O=S(=O)(N1CCCCCC1)[*:1] N#CCn1c(COC(=O)c2ccc(cc2)[*:1])nc2ccccc2c1=O
N#CCn1c(COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc2ccccc2c1=O N#CC[*:1] O=C(OCc1nc2ccccc2c(=O)n1[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCCC1
Cc1nn(Cc2nnc(Cc3ccccc3)o2)c(C)c1[N+](=O)[O-] c1ccc(cc1)C[*:1] Cc1nn(Cc2nnc(o2)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(Cc2nnc(Cc3ccccc3)o2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(Cc2nnc(Cc3ccccc3)o2)c(C)c1[*:1]
Cc1nn(Cc2nnc(Cc3ccccc3)o2)c(C)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nn(Cc2nnc(C[*:1])o2)c(C)c1[N+](=O)[O-]
Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2)c1 Cc1cc(C)cc(c1)[*:1] CN(Cc1ccccc1)C(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N[*:1]
Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NS(=O)(=O)c1ccc2[nH]cc(C(=O)N(C)[*:1])c(=O)c2c1
Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NS(=O)(=O)c1ccc2[nH]cc(C(=O)N(C)C[*:1])c(=O)c2c1
Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(C)Cc4ccccc4)c(=O)c3c2)c1 CN(Cc1ccccc1)C(=O)[*:1] Cc1cc(C)cc(c1)NS(=O)(=O)c1ccc2[nH]cc(c(=O)c2c1)[*:1]
C[NH+]1CCc2c(sc3nc(S)n(C4CCCCC4)c(=O)c23)C1 C1CCC(CC1)[*:1] C[NH+]1CCc2c(C1)sc1nc(S)n(c(=O)c21)[*:1]
Cc1ccc2cccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)c2n1 Brc1ccc(s1)[*:1] Cc1ccc2cccc(NC(=O)[C@H]3CCCN(C3)S(=O)(=O)[*:1])c2n1
CC[C@@H](C)N(C)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)C[*:1] CC[C@@H](C)N(C)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC[C@@H](C)N(C)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)CNC(=O)[*:1] CC[C@@H](C)N(C)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)N(C)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 CC(C)[*:1] CC[C@@H](C)N(C)C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CS[C@H](n1nnc2ccccc21)[C@](C)(O)c1ccsc1 c1cc(cs1)[*:1] CS[C@H](n1nnc2ccccc21)[C@](C)(O)[*:1]
COCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)cc1 COCc1ccc(cc1)[*:1] Nc1cc2ccccc2nc1[C@H]1CCCN(C1)C(=O)[*:1]
COCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)cc1 COC[*:1] Nc1cc2ccccc2nc1[C@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)[C@H]4CCCO4)c3C)C2=O)cc1 COC(=O)[*:1] Cc1c(ccc2C(=O)/C(=C/c3ccc(cc3)[*:1])Oc21)OC(=O)[C@H]1CCCO1
COC(=O)c1ccc(/C=C2\Oc3c(ccc(OC(=O)[C@H]4CCCO4)c3C)C2=O)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1c(ccc2C(=O)C(=C[*:1])Oc21)OC(=O)[C@H]1CCCO1
CC(C)c1cccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 NC(=O)[*:1] CC(C)c1cccc(c1)OCC(=O)Nc1sc2CCCc2c1[*:1]
CC(C)c1cccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 CC(C)[*:1] NC(=O)c1c(NC(=O)COc2cccc(c2)[*:1])sc2CCCc21
CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 Fc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 O=C(Nc1cccc(F)c1)[*:1] CN(C[*:1])C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
CCCOc1ccc(OCC(=O)Nc2ncc(C)s2)cc1 CCCO[*:1] Cc1cnc(NC(=O)COc2ccc(cc2)[*:1])s1
CCCOc1ccc(OCC(=O)Nc2ncc(C)s2)cc1 Cc1cnc(s1)[*:1] CCCOc1ccc(cc1)OCC(=O)N[*:1]
CCCOc1ccc(OCC(=O)Nc2ncc(C)s2)cc1 CCC[*:1] Cc1cnc(NC(=O)COc2ccc(cc2)O[*:1])s1
CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 C1CCCN(CC1)[*:1] CCOC(=O)C1=C(C[*:1])NC(=O)N[C@H]1c1ccc(F)c(F)c1
CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 C1CCCN(CC1)C[*:1] CCOC(=O)C1=C(NC(=O)N[C@H]1c1ccc(F)c(F)c1)[*:1]
CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1[*:1]
CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1 CCOC(=O)[*:1] O=C1NC(CN2CCCCCC2)=C([C@@H](N1)c1ccc(F)c(F)c1)[*:1]
C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1O c1ccc(cc1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CCNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1ncnc(Nc2cccc(Cl)c2Cl)c1[*:1]
CCNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-] CCN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cccc(Cl)c1Cl
O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)Nc1ccc(cc1)[*:1]
O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
Cc1c(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NC(=S)Nc1ccccc1C(=O)[O-]
Cc1c(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cccc1[N+](=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccccc1[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCC[C@@H](C1)[*:1]
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)c1 Cc1cccc(c1)[*:1] N#CC1=C(NC(=O)C[C@H]1c1ccc(F)cc1)SCC(=O)N[*:1]
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CSC1NC(=O)C[C@@H](C=1C#N)[*:1]
COCCn1c(SCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] COCCn1c(nc2ccccc21)SCC(=O)N1c2ccccc2OC[C@H]1[*:1]
COCCn1c(SCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)nc2ccccc21 COCC[*:1] O=C(CSc1nc2ccccc2n1[*:1])N1c2ccccc2OC[C@@H]1c1ccccc1
COCCn1c(SCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)nc2ccccc21 COC[*:1] O=C(CSc1nc2ccccc2n1C[*:1])N1c2ccccc2OC[C@@H]1c1ccccc1
CCOc1ccccc1NC[C@@H]1COc2ccccc21 CCO[*:1] c1ccc(c(c1)NC[C@@H]1COc2ccccc21)[*:1]
C[C@@H](NC(=O)C(C)(C)NC(=O)Nc1ccccc1)c1ccc(Cl)s1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(C)(C)NC(=O)N[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)C(C)(C)NC(=O)Nc1ccccc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)C(C)(C)NC(=O)Nc1ccccc1)[*:1]
O=C(/C=C/c1c(Cl)nc2sccn12)NCc1ccncc1 c1cc(ccn1)C[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)N[*:1]
O=C(/C=C/c1c(Cl)nc2sccn12)NCc1ccncc1 c1cc(ccn1)[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)NC[*:1]
C[C@@H](CCO)Sc1nc(Cl)nc(N(C)C)n1 CN(C)[*:1] C[C@@H](CCO)Sc1nc(Cl)nc(n1)[*:1]
C[C@@H](CCO)Sc1nc(Cl)nc(N(C)C)n1 C[C@@H](CCO)[*:1] CN(C)c1nc(Cl)nc(n1)S[*:1]
C[C@@H](CCO)Sc1nc(Cl)nc(N(C)C)n1 OCC[*:1] C[C@@H](Sc1nc(Cl)nc(n1)N(C)C)[*:1]
Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccccc3F)CC1)NC2=O Fc1ccccc1[*:1] Cc1ccc2C(=O)N[C@@]3(CCC(=O)N(CC3)[C@@H](C)C(=O)NC[*:1])Nc2c1
Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccccc3F)CC1)NC2=O Fc1ccccc1C[*:1] Cc1ccc2C(=O)N[C@@]3(CCC(=O)N(CC3)[C@@H](C)C(=O)N[*:1])Nc2c1
C[C@@H]1CN(C(=O)CSc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1ccc(cc1)[*:1]
CCCC[C@H](C(=O)[O-])c1ccnn1C CCC[*:1] Cn1nccc1[C@H](C[*:1])C(=O)[O-]
CCCC[C@H](C(=O)[O-])c1ccnn1C O=C([O-])[*:1] CCCC[C@H](c1ccnn1C)[*:1]
CCCC[C@H](C(=O)[O-])c1ccnn1C CCCC[*:1] Cn1nccc1[C@@H](C(=O)[O-])[*:1]
COc1cc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)cc(OC)c1OC Cc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)-c1nc2cc(ccc2o1)NC(=O)[*:1]
COc1cc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)cc(OC)c1OC Cc1cccc(c1)C(=O)N[*:1] COc1cc(cc(OC)c1OC)-c1nc2cc(ccc2o1)[*:1]
C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H]([NH2+]CC1(CCCC1)N1CCSCC1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 C1CN(CCS1)[*:1] C[C@@H]([NH2+]CC1(CCCC1)[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@H]([NH2+]CC1(CCCC1)N1CCSCC1)C(=O)N[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)c2)no1 CC(C)CC[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)c2)no1 CC(C)C[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)c2)no1 CC(C)[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC[C@H](C1)C(=O)NCC[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)c2)no1 CC(C)CCNC(=O)[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)c2)no1 Cc1nc(no1)[*:1] CC(C)CCNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1cc(cs1)[*:1]
CCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cccc(Cl)c3)CCN2C1=O CCC[*:1] O=C1N[C@H](C(=O)N2CCN(C[C@H]12)C(=O)c1cccc(Cl)c1)[*:1]
CCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cccc(Cl)c3)CCN2C1=O Clc1cccc(c1)[*:1] CCC[C@@H]1NC(=O)[C@H]2CN(CCN2C1=O)C(=O)[*:1]
Cc1nn(C)c(C)c1[C@H](C)[NH2+]C/C=C/c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC=C[*:1]
CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1 Cc1c(Cl)cccc1[*:1] CCOc1ccc(cc1)N([C@@H](C)C(=O)N[*:1])S(C)(=O)=O
CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1 CCOc1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](C)N(S(C)(=O)=O)[*:1]
CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1 CCO[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](C)N(c1ccc(cc1)[*:1])S(C)(=O)=O
COC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](C)SC CS[C@H](C)[*:1] COC(=O)[C@@H]1Cc2ccccc2N1C(=O)[*:1]
COC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](C)SC COC(=O)[*:1] CS[C@H](C)C(=O)N1c2ccccc2C[C@H]1[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)Nc1cc(Cl)ccc1N1CCCC1 O=C(N[*:1])c1cccs1 C[C@H](C(=O)Nc1cc(Cl)ccc1N1CCCC1)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)Nc1cc(Cl)ccc1N1CCCC1 c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1cc(Cl)ccc1N1CCCC1
C[C@H](NC(=O)c1cccs1)C(=O)Nc1cc(Cl)ccc1N1CCCC1 C1CCN(C1)[*:1] C[C@H](NC(=O)c1cccs1)C(=O)Nc1cc(Cl)ccc1[*:1]
CC(=O)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)s1 CC(=O)c1ccc(s1)[*:1] O=C(NCC1(CCCCC1)[NH+]1CCCCC1)[*:1]
CC(=O)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)s1 CC(=O)[*:1] O=C(NCC1(CCCCC1)[NH+]1CCCCC1)c1ccc(s1)[*:1]
COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(OC)c(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1NC(=O)C(C#N)=C(S)N1[*:1]
CCCCNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 CCCC[*:1] O=C(N[*:1])c1ccc(cc1)OCc1cn2ccccc2n1
CCCCNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 CCCCNC(=O)[*:1] c1ccn2cc(COc3ccc(cc3)[*:1])nc2c1
CCCCNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 CCC[*:1] O=C(NC[*:1])c1ccc(cc1)OCc1cn2ccccc2n1
C[C@@]1(C(=O)NC2CCCCC2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 C1CCC(CC1)[*:1] C[C@]1(CN(CC(=O)N1c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)C(=O)N[*:1]
C[C@@]1(C(=O)NC2CCCCC2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@]1(CN(CC(=O)N1c1ccc(Cl)cc1)S(=O)(=O)[*:1])C(=O)NC1CCCCC1
C[C@@]1(C(=O)NC2CCCCC2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 O=C(NC1CCCCC1)[*:1] C[C@]1(CN(CC(=O)N1c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)[*:1]
C[C@@]1(C(=O)NC2CCCCC2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@]1(CN(CC(=O)N1[*:1])S(=O)(=O)c1ccccc1)C(=O)NC1CCCCC1
Cc1ccc(C(=O)N[C@@H](C)CCc2ccco2)c(NN)c1 c1coc(c1)C[*:1] Cc1ccc(C(=O)N[C@@H](C)C[*:1])c(c1)NN
Cc1ccc(C(=O)N[C@@H](C)CCc2ccco2)c(NN)c1 c1coc(c1)CC[*:1] Cc1ccc(C(=O)N[C@@H](C)[*:1])c(c1)NN
Cc1ccc(C(=O)N[C@@H](C)CCc2ccco2)c(NN)c1 c1coc(c1)[*:1] Cc1ccc(C(=O)N[C@@H](C)CC[*:1])c(c1)NN
CN(Cc1nccs1)c1ccc(C#N)c(C(F)(F)F)c1 c1csc(n1)[*:1] CN(C[*:1])c1ccc(C#N)c(c1)C(F)(F)F
CN(Cc1nccs1)c1ccc(C#N)c(C(F)(F)F)c1 FC(F)(F)[*:1] CN(Cc1nccs1)c1ccc(C#N)c(c1)[*:1]
CN(Cc1nccs1)c1ccc(C#N)c(C(F)(F)F)c1 c1csc(C[*:1])n1 CN(c1ccc(C#N)c(c1)C(F)(F)F)[*:1]
CC1=C[C@@H](CNS(=O)(=O)c2cccs2)[C@H](C(C)C)C[C@H]1CC(=O)[O-] CC(C)[*:1] CC1=C[C@@H](CNS(=O)(=O)c2cccs2)[C@H](C[C@H]1CC(=O)[O-])[*:1]
CC1=C[C@@H](CNS(=O)(=O)c2cccs2)[C@H](C(C)C)C[C@H]1CC(=O)[O-] O=C([O-])C[*:1] CC1=C[C@@H](CNS(=O)(=O)c2cccs2)[C@@H](C[C@@H]1[*:1])C(C)C
CC1=C[C@@H](CNS(=O)(=O)c2cccs2)[C@H](C(C)C)C[C@H]1CC(=O)[O-] c1csc(c1)[*:1] CC1=C[C@@H](CNS(=O)(=O)[*:1])[C@@H](C[C@H]1CC(=O)[O-])C(C)C
CC1=C[C@@H](CNS(=O)(=O)c2cccs2)[C@H](C(C)C)C[C@H]1CC(=O)[O-] O=C([O-])[*:1] CC1=C[C@@H](CNS(=O)(=O)c2cccs2)[C@@H](C[C@H]1C[*:1])C(C)C
O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)C[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)c1cccs1)N1CCN(CC1)[*:1]
O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)c1cccs1)N1CCN(CC1)C[*:1]
O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2ccsc2)CC1 c1csc(c1)[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)[*:1])N1CCN(CC1)Cc1ccsc1
CC(C)Oc1cncc(N[C@H](CCl)C(C)C)n1 CC(C)[*:1] CC(C)[C@@H](CCl)Nc1cncc(n1)O[*:1]
CC(C)Oc1cncc(N[C@H](CCl)C(C)C)n1 CC(C)[*:1] CC(C)Oc1cncc(n1)N[C@H](CCl)[*:1]
CC(C)Oc1cncc(N[C@H](CCl)C(C)C)n1 CC(C)O[*:1] CC(C)[C@@H](CCl)Nc1cncc(n1)[*:1]
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1nnc2n1CCC2 Cc1ccc(cc1)[*:1] CC[C@@H](C[*:1])N(C)C(=O)NCc1nnc2CCCn21
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1nnc2n1CCC2 Cc1ccc(cc1)C[*:1] CC[C@@H](N(C)C(=O)NCc1nnc2CCCn21)[*:1]
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NC[*:1]
CC(C)N(Cc1cccnc1)C(=O)Cn1c(C2CC2)nc2ccccc21 C1CC1[*:1] CC(C)N(Cc1cccnc1)C(=O)Cn1c(nc2ccccc21)[*:1]
CC(C)N(Cc1cccnc1)C(=O)Cn1c(C2CC2)nc2ccccc21 c1cncc(c1)C[*:1] CC(C)N(C(=O)Cn1c(nc2ccccc21)C1CC1)[*:1]
CC(C)N(Cc1cccnc1)C(=O)Cn1c(C2CC2)nc2ccccc21 c1cncc(c1)[*:1] CC(C)N(C[*:1])C(=O)Cn1c(nc2ccccc21)C1CC1
CC(C)N(Cc1cccnc1)C(=O)Cn1c(C2CC2)nc2ccccc21 CC(C)[*:1] O=C(Cn1c(nc2ccccc21)C1CC1)N(Cc1cccnc1)[*:1]
CCN(C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)nnn2CC)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)nnn2CC)[*:1]
Cn1cnnc1[C@@H]1CCCN(Cc2cc3ccccc3s2)C1 Cn1cnnc1[*:1] c1ccc2sc(cc2c1)CN1CCC[C@H](C1)[*:1]
Cc1cc(C[NH+]2CCN(CC(=O)c3c(-c4ccc(F)cc4)[nH]c4ccccc34)CC2)no1 Cc1cc(no1)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])c1c([nH]c2ccccc12)-c1ccc(F)cc1
Cc1cc(C[NH+]2CCN(CC(=O)c3c(-c4ccc(F)cc4)[nH]c4ccccc34)CC2)no1 Fc1ccc(cc1)[*:1] Cc1cc(C[NH+]2CCN(CC2)CC(=O)c2c([nH]c3ccccc23)[*:1])no1
Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)oc2c(Cl)cccc12 c1ccc(cc1)[*:1] Cc1c(oc2c(Cl)cccc12)C(=O)N1CCN(CC1)C[*:1]
Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)oc2c(Cl)cccc12 c1ccc(cc1)C[*:1] Cc1c(oc2c(Cl)cccc12)C(=O)N1CCN(CC1)[*:1]
COc1ccc(CNS(=O)(=O)c2cn(C)c(C)n2)c(C(F)(F)F)c1 Cc1nc(cn1C)[*:1] COc1ccc(CNS(=O)(=O)[*:1])c(c1)C(F)(F)F
COc1ccc(CNS(=O)(=O)c2cn(C)c(C)n2)c(C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(CNS(=O)(=O)c2cn(C)c(C)n2)c(c1)[*:1]
C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N/N=C/c1cn(nc1-c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N/N=C/c1cn(nc1-c1ccccc1)-c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N/N=C/c1cn(nc1[*:1])-c1ccccc1
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(C)c1ccccc1)C2=O c1ccc(cc1)[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@H](C)C(=O)N(C)[*:1]
C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[*:1]
Cn1c(=O)n(C)c2cc(NC(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)ccc21 c1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)NC(=O)C[NH+](Cc1ccccc1)C[*:1]
Cn1c(=O)n(C)c2cc(NC(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)ccc21 c1ccc(cc1)C[*:1] Cn1c(=O)n(C)c2cc(ccc21)NC(=O)C[NH+](Cc1ccccc1)[*:1]
C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)OC(F)F
C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(cc1)O[*:1]
C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(cc1)[*:1]
O=C(C[C@H]1C=CCC1)Nc1ncccc1OCc1ccncc1 c1cc(ccn1)C[*:1] O=C(C[C@H]1C=CCC1)Nc1ncccc1O[*:1]
O=C(C[C@H]1C=CCC1)Nc1ncccc1OCc1ccncc1 c1cc(ccn1)[*:1] O=C(C[C@H]1C=CCC1)Nc1ncccc1OC[*:1]
CC(=O)N1[C@@H](C(=O)NCc2ccccc2)CS[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N1[C@H](CS[C@H]1[*:1])C(=O)NCc1ccccc1
CC(=O)N1[C@@H](C(=O)NCc2ccccc2)CS[C@@H]1c1ccc(C)cc1 c1ccc(cc1)[*:1] CC(=O)N1[C@H](CS[C@@H]1c1ccc(C)cc1)C(=O)NC[*:1]
CC(=O)N1[C@@H](C(=O)NCc2ccccc2)CS[C@@H]1c1ccc(C)cc1 c1ccc(cc1)C[*:1] CC(=O)N1[C@H](CS[C@@H]1c1ccc(C)cc1)C(=O)N[*:1]
C=CCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C)[*:1]
C=CCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C)c1ccccc1 C=CC[*:1] Cc1sc2nc(SCC(=O)N(c3ccccc3)[*:1])n(C)c(=O)c2c1C
CCCC[C@H](CC)C[C@@H](O)c1cncc(Br)c1 CCC[*:1] CC[C@H](C[C@@H](O)c1cncc(Br)c1)C[*:1]
CCCC[C@H](CC)C[C@@H](O)c1cncc(Br)c1 CCCC[*:1] CC[C@H](C[C@@H](O)c1cncc(Br)c1)[*:1]
CN(CCOCC1CC1)C(=O)N1CC[C@H](C(=O)[O-])C1 C1CC1COC[*:1] CN(C[*:1])C(=O)N1CC[C@@H](C1)C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1CC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CN(CCOCC1CC1)C(=O)N1CC[C@H](C1)[*:1]
CN(CCOCC1CC1)C(=O)N1CC[C@H](C(=O)[O-])C1 C1CC1[*:1] CN(CCOC[*:1])C(=O)N1CC[C@@H](C1)C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1CC[C@H](C(=O)[O-])C1 C1CC1C[*:1] CN(CCO[*:1])C(=O)N1CC[C@@H](C1)C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1CC[C@H](C(=O)[O-])C1 C1CC1CO[*:1] CN(CC[*:1])C(=O)N1CC[C@@H](C1)C(=O)[O-]
CCCCOc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C)[C@H](O)C2)cc1OC CCC[*:1] COc1cc(ccc1OC[*:1])[C@@H](C)NC(=O)N1CC[C@@H](C)[C@H](O)C1
CCCCOc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C)[C@H](O)C2)cc1OC CCCC[*:1] COc1cc(ccc1O[*:1])[C@@H](C)NC(=O)N1CC[C@@H](C)[C@H](O)C1
CCCCOc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C)[C@H](O)C2)cc1OC CCCCO[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)N1CC[C@@H](C)[C@H](O)C1
[NH3+][C@H]1CCCCC[C@@H]1Nc1nc2ccc([N+](=O)[O-])cc2o1 O=[N+]([O-])[*:1] [NH3+][C@H]1CCCCC[C@@H]1Nc1nc2ccc(cc2o1)[*:1]
Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)cc(C)c1F CC(C)C(=O)N[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)N1CCC[C@@H](C1)[*:1]
Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)cc(C)c1F CC(C)[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)N1CCC[C@H](C1)NC(=O)[*:1]
O=C(CSc1nnc2n1CCCCC2)NCc1ccco1 c1coc(c1)C[*:1] O=C(CSc1nnc2CCCCCn21)N[*:1]
O=C(CSc1nnc2n1CCCCC2)NCc1ccco1 c1coc(c1)[*:1] O=C(CSc1nnc2CCCCCn21)NC[*:1]
CCC(CC)NC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 CCC(CC)[*:1] O=C(N[*:1])N1CCCN(CC1)c1ccc(cn1)C(F)(F)F
CCC(CC)NC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] CCC(CC)NC(=O)N1CCCN(CC1)c1ccc(cn1)[*:1]
CS(=O)(=O)[N-]c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)[N-]c1ccc(cc1)OC(=O)[C@@H]1C[C@H]1[*:1]
CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCO2)cc1 CCNC(=O)[*:1] O=C(NC[C@H]1CCCO1)Nc1ccc(cc1)[*:1]
CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CCNC(=O)c1ccc(cc1)NC(=O)NC[*:1]
CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] CCNC(=O)c1ccc(cc1)NC(=O)N[*:1]
Cn1cc(NC(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)cn1 Cn1cc(cn1)[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)C(=O)N[*:1]
Cn1cc(NC(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)cn1 N#Cc1ccccc1[*:1] Cn1cc(cn1)NC(=O)C(=O)NCc1ccc(cc1)[*:1]
O=C(Cl)c1ccc2cnncc2c1 O=C(Cl)[*:1] c1cc2cnncc2cc1[*:1]
CN(CCC#N)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 N#CC[*:1] CN(C[*:1])C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1
CN(CCC#N)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CCC#N)C(=O)[C@@H]1CCCCN1C(=O)[*:1]
CN(CCC#N)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 N#CCC[*:1] CN(C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1)[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)/N=C(\[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 O=[N+]([O-])[*:1] O=S(=O)(/N=C(\[O-])[C@@H]1CCC[C@H](C1)C(F)(F)F)c1ccccc1[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)/N=C(\[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)/N=C(\[O-])[C@@H]1CCC[C@@H](C1)[*:1]
COc1cc(C=O)ccc1OCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] COc1cc(C=O)ccc1OCc1nc(no1)[*:1]
C/C(=N/Nc1nncc2ccccc12)c1ccc(N2CCCCC2)c(F)c1 C1CCN(CC1)[*:1] C/C(=N/Nc1nncc2ccccc12)c1ccc(c(F)c1)[*:1]
CS[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccon1 c1cc(C[*:1])no1 CS[C@H]1CCCC[C@H]1NS(=O)(=O)[*:1]
CS[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccon1 c1cc(no1)[*:1] CS[C@H]1CCCC[C@H]1NS(=O)(=O)C[*:1]
Cc1ccc(NC(=O)Nc2ccc(NC(=O)N3CCC(C(=O)NC4CC4)CC3)cc2)cc1C C1CC1[*:1] Cc1ccc(cc1C)NC(=O)Nc1ccc(cc1)NC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)Nc2ccc(NC(=O)N3CCC(C(=O)NC4CC4)CC3)cc2)cc1C O=C(NC1CC1)[*:1] Cc1ccc(cc1C)NC(=O)Nc1ccc(cc1)NC(=O)N1CCC(CC1)[*:1]
Cc1ccc(NC(=O)Nc2ccc(NC(=O)N3CCC(C(=O)NC4CC4)CC3)cc2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1ccc(cc1)NC(=O)N1CCC(CC1)C(=O)NC1CC1)N[*:1]
Cc1cscc1C(=O)N[C@@H](C#N)c1ccccc1 Cc1cscc1[*:1] N#C[C@H](NC(=O)[*:1])c1ccccc1
Cc1cscc1C(=O)N[C@@H](C#N)c1ccccc1 c1ccc(cc1)[*:1] Cc1cscc1C(=O)N[C@@H](C#N)[*:1]
CS[C@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 CS[C@H]1CC[C@@H](C1)[*:1] O=C(N[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CC(C)C[C@@H](CNc1nccc(C(F)(F)F)n1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H](CNc1nccc(n1)C(F)(F)F)C[*:1]
CC(C)C[C@@H](CNc1nccc(C(F)(F)F)n1)C(=O)[O-] CC(C)C[*:1] O=C([O-])[C@H](CNc1nccc(n1)C(F)(F)F)[*:1]
CC(C)C[C@@H](CNc1nccc(C(F)(F)F)n1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](CNc1nccc(n1)C(F)(F)F)[*:1]
CC(C)C[C@@H](CNc1nccc(C(F)(F)F)n1)C(=O)[O-] FC(F)(F)[*:1] CC(C)C[C@@H](CNc1nccc(n1)[*:1])C(=O)[O-]
CC(C)CC[NH+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 CC(C)CC[*:1] C[NH+](Cc1cc(=O)n2cc(Cl)ccc2n1)[*:1]
CC(C)CC[NH+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 CC(C)C[*:1] C[NH+](Cc1cc(=O)n2cc(Cl)ccc2n1)C[*:1]
CC(C)CC[NH+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 CC(C)[*:1] C[NH+](CC[*:1])Cc1cc(=O)n2cc(Cl)ccc2n1
C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1SC[C@H](C)CO C[C@H](CO)[*:1] C[NH2+][C@H]1c2cc(ccc2C[C@H]1SC[*:1])OC
C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1SC[C@H](C)CO C[C@H](CO)CS[*:1] C[NH2+][C@H]1c2cc(ccc2C[C@@H]1[*:1])OC
C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1SC[C@H](C)CO C[C@H](CO)C[*:1] C[NH2+][C@H]1c2cc(ccc2C[C@H]1S[*:1])OC
C[C@@H]1CCC[C@]([NH3+])(c2nc([C@]3(C)CCCO3)no2)C1 C[C@@]1(CCCO1)[*:1] C[C@@H]1CCC[C@@]([NH3+])(C1)c1nc(no1)[*:1]
COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)N(CCC#N)c4ccccc4)n3c2c1 N#CC[*:1] COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)N(C[*:1])c4ccccc4)n3c2c1
COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)N(CCC#N)c4ccccc4)n3c2c1 c1ccc(cc1)[*:1] COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)N(CCC#N)[*:1])n3c2c1
COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)N(CCC#N)c4ccccc4)n3c2c1 N#CCC[*:1] COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)N(c4ccccc4)[*:1])n3c2c1
CN(CC(F)F)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 FC(F)C[*:1] CN(C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1)[*:1]
CN(CC(F)F)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 FC(F)[*:1] CN(C[*:1])C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1
CN(CC(F)F)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 c1ccc(nc1)[*:1] CN(CC(F)F)C(=O)N[C@@H](c1cccc(Cl)c1)[*:1]
CN(CC(F)F)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 Clc1cccc(c1)[*:1] CN(CC(F)F)C(=O)N[C@@H](c1ccccn1)[*:1]
C[C@@](O)(CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(F)cc1 Fc1ccc(F)c(c1)[*:1] C[C@@](O)(CNC(=O)[C@@H]1C[C@H]1[*:1])c1ccc(F)cc1
C[C@@](O)(CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[*:1]
CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[nH]n23)c1 Cc1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=O)CSc1nc(nc2cc(=O)[nH]n12)[*:1]
CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[nH]n23)c1 CC(=O)c1cccc(c1)[*:1] Cc1ccccc1-c1nc(SCC(=O)N[*:1])n2[nH]c(=O)cc2n1
CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[nH]n23)c1 CC(=O)[*:1] Cc1ccccc1-c1nc(SCC(=O)Nc2cccc(c2)[*:1])n2[nH]c(=O)cc2n1
CC(C)CNC(=O)c1cc([C@@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)nc2ccccc12 Fc1ccc(cc1)CC[*:1] CC(C)CNC(=O)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)[*:1]
CC(C)CNC(=O)c1cc([C@@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)nc2ccccc12 Fc1ccc(cc1)[*:1] CC(C)CNC(=O)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)CC[*:1]
CC(C)CNC(=O)c1cc([C@@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)nc2ccccc12 CC(C)CNC(=O)[*:1] O=C(CCc1ccc(F)cc1)N1CC[C@H](C1)c1cc(c2ccccc2n1)[*:1]
CC(C)CNC(=O)c1cc([C@@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)nc2ccccc12 CC(C)[*:1] O=C(NC[*:1])c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)CCc1ccc(F)cc1
CC(C)CNC(=O)c1cc([C@@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)nc2ccccc12 Fc1ccc(cc1)C[*:1] CC(C)CNC(=O)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)C[*:1]
CC(C)CNC(=O)c1cc([C@@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)nc2ccccc12 CC(C)C[*:1] O=C(N[*:1])c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)CCc1ccc(F)cc1
Cc1cccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CN2C(=O)CSC2=O)n1 Cc1cccc(n1)[*:1] O=C1CSC(=O)N1CC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1[*:1]
Cc1cccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CN2C(=O)CSC2=O)n1 O=C1CSC(=O)N1[*:1] Cc1cccc(n1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)C[*:1]
Cc1cccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CN2C(=O)CSC2=O)n1 O=C1CSC(=O)N1C[*:1] Cc1cccc(n1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCc3c(c(C(=O)NCc4ccc5c(c4)OCO5)nn3C)C2)c1 Cc1ccc(C)c(c1)[*:1] Cn1nc(C(=O)NCc2ccc3OCOc3c2)c2CN(CCc21)S(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCc3c(c(C(=O)NCc4ccc5c(c4)OCO5)nn3C)C2)c1 c1cc2OCOc2cc1C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCc2c(C1)c(nn2C)C(=O)N[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCc3c(c(C(=O)NCc4ccc5c(c4)OCO5)nn3C)C2)c1 c1cc2OCOc2cc1[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCc2c(C1)c(nn2C)C(=O)NC[*:1]
CC(C)N1C[C@@]2(CCCN(c3ccc(C(=O)[O-])c[nH+]3)C2)CCC1=O CC(C)[*:1] O=C([O-])c1ccc([nH+]c1)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
CC(C)N1C[C@@]2(CCCN(c3ccc(C(=O)[O-])c[nH+]3)C2)CCC1=O O=C([O-])[*:1] CC(C)N1C[C@@]2(CCCN(C2)c2ccc(c[nH+]2)[*:1])CCC1=O
Cc1ncccc1NC(=O)C(=O)NC[C@H](O)c1ccsc1 c1cc(cs1)[*:1] Cc1ncccc1NC(=O)C(=O)NC[C@H](O)[*:1]
Cc1ncccc1NC(=O)C(=O)NC[C@H](O)c1ccsc1 O[C@H](c1ccsc1)[*:1] Cc1ncccc1NC(=O)C(=O)NC[*:1]
Cc1ncccc1NC(=O)C(=O)NC[C@H](O)c1ccsc1 Cc1ncccc1[*:1] O=C(NC[C@H](O)c1ccsc1)C(=O)N[*:1]
CN(CCC#N)C(=O)c1cc2c(s1)-c1ccccc1OC2 N#CCC[*:1] CN(C(=O)c1cc2COc3ccccc3-c2s1)[*:1]
CN(CCC#N)C(=O)c1cc2c(s1)-c1ccccc1OC2 N#CC[*:1] CN(C[*:1])C(=O)c1cc2COc3ccccc3-c2s1
Cc1c(C(=O)OCC(=O)N(C)C)oc2ccc(Br)cc12 CN(C)C(=O)[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)OC[*:1]
Cc1c(C(=O)OCC(=O)N(C)C)oc2ccc(Br)cc12 CN(C)C(=O)C[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)O[*:1]
CCOCCNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F CCOCC[*:1] O=C(N[*:1])c1nnn(-c2ccc(F)cc2)c1C(F)(F)F
CCOCCNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F Fc1ccc(cc1)[*:1] CCOCCNC(=O)c1nnn(c1C(F)(F)F)[*:1]
CCOCCNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F FC(F)(F)[*:1] CCOCCNC(=O)c1nnn(-c2ccc(F)cc2)c1[*:1]
CCOCCNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F CCOC[*:1] O=C(NC[*:1])c1nnn(-c2ccc(F)cc2)c1C(F)(F)F
CCOCCNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F CCOCCNC(=O)[*:1] Fc1ccc(cc1)-n1nnc(c1C(F)(F)F)[*:1]
CCOCCNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F CCO[*:1] O=C(NCC[*:1])c1nnn(-c2ccc(F)cc2)c1C(F)(F)F
Cc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)CCNC(=O)C[*:1]
Cc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1Cl c1ccc(cc1)C[*:1] Cc1ccc(cc1Cl)NC(=O)CCNC(=O)[*:1]
C/C=C/CS(=O)(=O)[C@H](C)C(=O)N(C)c1ccccc1 CC=C[*:1] C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)C[*:1]
C/C=C/CS(=O)(=O)[C@H](C)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C/C=C/CS(=O)(=O)[C@H](C)C(=O)N(C)[*:1]
C/C=C/CS(=O)(=O)[C@H](C)C(=O)N(C)c1ccccc1 C/C=C/C[*:1] C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)[*:1]
O=C([C@@H]1COc2ccc(F)cc2C1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N1CCN(CC1)[*:1]
COC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 COC(=O)C[*:1] N#Cc1cn(c2ccc(Cl)cc2c1=O)[*:1]
COC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 COC(=O)[*:1] N#Cc1cn(C[*:1])c2ccc(Cl)cc2c1=O
CN(C[C@@H]1CCCN1C(=O)Cc1ccc[nH]1)C(=O)OC(C)(C)C c1c[nH]c(c1)C[*:1] CN(C[C@@H]1CCCN1C(=O)[*:1])C(=O)OC(C)(C)C
CN(C[C@@H]1CCCN1C(=O)Cc1ccc[nH]1)C(=O)OC(C)(C)C c1c[nH]c(c1)[*:1] CN(C[C@@H]1CCCN1C(=O)C[*:1])C(=O)OC(C)(C)C
CN(C[C@@H]1CCCN1C(=O)Cc1ccc[nH]1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(C[C@@H]1CCCN1C(=O)Cc1ccc[nH]1)C(=O)O[*:1]
COc1ccc(C(=O)NCCN2CCN(C(=O)C3CC=CC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C1CC=CC1)N1CCN(CCNC(=O)[*:1])CC1
C[NH+](Cc1ccc(OC(F)F)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 FC(F)O[*:1] C[NH+](Cc1ccc(c(F)c1)[*:1])C1CCN(CC1)C(=O)OC(C)(C)C
C[NH+](Cc1ccc(OC(F)F)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] C[NH+](Cc1ccc(OC(F)F)c(F)c1)C1CCN(CC1)C(=O)O[*:1]
C[NH+](Cc1ccc(OC(F)F)c(F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 FC(F)[*:1] C[NH+](Cc1ccc(O[*:1])c(F)c1)C1CCN(CC1)C(=O)OC(C)(C)C
C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](NS(=O)(=O)c1ccc2CCCc2c1)c1ccc(cc1)[*:1]
C[C@@H](CCCO)Nc1nnc(Br)s1 OCCC[*:1] C[C@@H](Nc1nnc(Br)s1)[*:1]
C[C@@H](CCCO)Nc1nnc(Br)s1 OCC[*:1] C[C@@H](C[*:1])Nc1nnc(Br)s1
COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(CCc5c[nH]c6ccccc56)C(=O)[C@H]24)O3)cc1OC COc1ccc(cc1OC)[*:1] O=C(N[*:1])[C@@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2
COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(CCc5c[nH]c6ccccc56)C(=O)[C@H]24)O3)cc1OC c1ccc2c(c[nH]c2c1)C[*:1] COc1ccc(cc1OC)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[*:1])C(=O)[C@H]13)O2
COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(CCc5c[nH]c6ccccc56)C(=O)[C@H]24)O3)cc1OC c1ccc2c(c[nH]c2c1)CC[*:1] COc1ccc(cc1OC)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)[*:1])O2
COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(CCc5c[nH]c6ccccc56)C(=O)[C@H]24)O3)cc1OC c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1OC)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CC[*:1])C(=O)[C@H]13)O2
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])C(=O)N/N=C/c1ccc(F)cc1
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)C(=O)NN=C[*:1]
Cc1cn2c(=O)c(C(=O)N[C@@H]3CCCC[C@@H]3C(N)=O)cnc2s1 NC(=O)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cc1ccccc1CN(C)C(=O)CN1CCn2c(nn(C)c2=O)C1 Cc1ccccc1C[*:1] CN(C(=O)CN1CCn2c(C1)nn(C)c2=O)[*:1]
Cc1ccccc1CN(C)C(=O)CN1CCn2c(nn(C)c2=O)C1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)CN1CCn2c(C1)nn(C)c2=O
C[C@@H](Sc1c([O-])on[n+]1C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 O=C([O-])[*:1] C[C@@H](Sc1c([O-])on[n+]1C)C(=O)Nc1ccc(Cl)c(c1)[*:1]
O=C1N(CCCOc2ccc(Cl)cc2)c2c(Cl)cccc2C12OCCCO2 Clc1ccc(cc1)O[*:1] O=C1N(CCC[*:1])c2c(Cl)cccc2C12OCCCO2
O=C1N(CCCOc2ccc(Cl)cc2)c2c(Cl)cccc2C12OCCCO2 Clc1ccc(cc1)[*:1] O=C1N(CCCO[*:1])c2c(Cl)cccc2C12OCCCO2
O=C1N(CCCOc2ccc(Cl)cc2)c2c(Cl)cccc2C12OCCCO2 Clc1ccc(cc1)OC[*:1] O=C1N(CC[*:1])c2c(Cl)cccc2C12OCCCO2
COc1ccc2c(CC(=O)N(C)[C@H](C)c3ccc(F)cc3)coc2c1 Fc1ccc(cc1)[*:1] COc1ccc2c(coc2c1)CC(=O)N(C)[C@H](C)[*:1]
CN(Cc1nccn1C(F)F)C(=O)NCC(C1CC1)C1CC1 FC(F)[*:1] CN(Cc1nccn1[*:1])C(=O)NCC(C1CC1)C1CC1
CN(Cc1nccn1C(F)F)C(=O)NCC(C1CC1)C1CC1 C1CC1[*:1] CN(Cc1nccn1C(F)F)C(=O)NCC(C1CC1)[*:1]
CN(Cc1nccn1C(F)F)C(=O)NCC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] CN(Cc1nccn1C(F)F)C(=O)NC[*:1]
Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCCC3)ccc21 C1CCC(C1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)S(=O)(=O)N[*:1]
N#Cc1cccnc1NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)C[*:1] N#Cc1cccnc1NCC1(CCCCC1)[*:1]
N#Cc1cccnc1NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] N#Cc1cccnc1NCC1(CCCCC1)C[*:1]
CCN(CC(C)(C)O)C(=O)Nc1cccc([C@H](C)[NH3+])c1 CC(C)(O)C[*:1] CCN(C(=O)Nc1cccc(c1)[C@H](C)[NH3+])[*:1]
CCN(CC(C)(C)O)C(=O)Nc1cccc([C@H](C)[NH3+])c1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)Nc1cccc(c1)[C@H](C)[NH3+]
CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 FC(F)(F)[*:1] CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc(cc2[*:1])[N+](=O)[O-])O1
CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 O=[N+]([O-])[*:1] CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc(cc2C(F)(F)F)[*:1])O1
CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)O1 CN(C)C(=O)[*:1] O=[N+]([O-])c1ccc(NC[C@@H]2CC[C@H](O2)[*:1])c(c1)C(F)(F)F
Cc1c(-c2nsc(NC(=O)c3ccccc3)n2)nnn1-c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1c(nnn1[*:1])-c1nsc(n1)NC(=O)c1ccccc1
Cc1c(-c2nsc(NC(=O)c3ccccc3)n2)nnn1-c1cccc(C(F)(F)F)c1 O=C(N[*:1])c1ccccc1 Cc1c(nnn1-c1cccc(c1)C(F)(F)F)-c1nsc(n1)[*:1]
Cc1c(-c2nsc(NC(=O)c3ccccc3)n2)nnn1-c1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] Cc1c(nnn1-c1cccc(c1)C(F)(F)F)-c1nsc(n1)NC(=O)[*:1]
Cc1c(-c2nsc(NC(=O)c3ccccc3)n2)nnn1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1c(nnn1-c1cccc(c1)[*:1])-c1nsc(n1)NC(=O)c1ccccc1
COc1ccc([C@@H](NC(=O)[C@H](C)n2cncn2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)[C@H](C)n1cncn1)[*:1]
COc1ccc([C@@H](NC(=O)[C@H](C)n2cncn2)C2CCOCC2)cc1 c1ncn(n1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)[C@H](C)[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)[C@H](C)n2cncn2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@@H](C1CCOCC1)[*:1])n1cncn1
Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)S[*:1] Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)[*:1]
Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)S[*:1]
Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)Sc1ccccn1 Cc1nccn1[*:1] C[C@@H](Sc1ccccn1)C(=O)Nc1cccnc1[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)[C@H]2CCOc3ccccc32)c1 FC(F)O[*:1] N#Cc1ccc(c(c1)NC(=O)[C@H]1CCOc2ccccc21)[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)[C@H]2CCOc3ccccc32)c1 FC(F)[*:1] N#Cc1ccc(O[*:1])c(c1)NC(=O)[C@H]1CCOc2ccccc21
C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)C[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])S(=O)(=O)C[C@@H]1CCCO1
C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)C[*:1]
C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)[*:1]
COCCNC(=O)CNc1ccc([N+](=O)[O-])cc1C#N COCC[*:1] N#Cc1cc(ccc1NCC(=O)N[*:1])[N+](=O)[O-]
COCCNC(=O)CNc1ccc([N+](=O)[O-])cc1C#N O=[N+]([O-])[*:1] COCCNC(=O)CNc1ccc(cc1C#N)[*:1]
COCCNC(=O)CNc1ccc([N+](=O)[O-])cc1C#N COC[*:1] N#Cc1cc(ccc1NCC(=O)NC[*:1])[N+](=O)[O-]
Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)c2ccccc2)c2ncccc2c1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)[*:1])c2ncccc2c1
COCc1cc(NC(=O)NCc2ccc(Cn3cncn3)cc2)ncn1 COC[*:1] O=C(NCc1ccc(cc1)Cn1cncn1)Nc1cc(ncn1)[*:1]
COCc1cc(NC(=O)NCc2ccc(Cn3cncn3)cc2)ncn1 c1ncn(n1)[*:1] COCc1cc(ncn1)NC(=O)NCc1ccc(cc1)C[*:1]
COCc1cc(NC(=O)NCc2ccc(Cn3cncn3)cc2)ncn1 c1ncn(C[*:1])n1 COCc1cc(ncn1)NC(=O)NCc1ccc(cc1)[*:1]
Cc1cc(O[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])O[C@@H]1CCC[NH2+]C1
CC[C@H]1CN(Cc2ccc(O)cc2)[C@H](C(C)(C)C)C[NH2+]1 CC(C)(C)[*:1] CC[C@H]1CN(Cc2ccc(O)cc2)[C@H](C[NH2+]1)[*:1]
COc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)nn1 Clc1ccc(cc1)[*:1] COc1ccc(nn1)C(=O)N(C)[C@@H](C)C[*:1]
Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ccc(-n2cnnn2)cc1 Cc1noc(C)c1[*:1] C[C@@H](NC[C@H](C)[*:1])c1ccc(cc1)-n1cnnn1
Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ccc(cc1)[*:1]
COc1cc(NC(=O)c2cccc(NC(C)=O)c2)c(OC)cc1Cl CC(=O)N[*:1] COc1cc(NC(=O)c2cccc(c2)[*:1])c(cc1Cl)OC
Cc1noc(C)c1S(=O)(=O)NCC(=O)OCc1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)NCC(=O)OC[*:1]
Cc1noc(C)c1S(=O)(=O)NCC(=O)OCc1ccccc1 Cc1noc(C)c1[*:1] O=C(CNS(=O)(=O)[*:1])OCc1ccccc1
Cc1noc(C)c1S(=O)(=O)NCC(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] Cc1noc(C)c1S(=O)(=O)NCC(=O)O[*:1]
COc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)c1 O=C1CCC[C@@H]1[*:1] COc1cccc(c1)C(=O)N1CCC[C@H]1[*:1]
Cc1ccccc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O Cc1ccccc1[*:1] O=C(CCCCCN1C(=O)c2ccccc2C1=O)N[*:1]
CC(=O)Nc1ccc(OC(C)=O)cc1NC(=O)C(F)(F)F CC(=O)N[*:1] CC(=O)Oc1ccc(c(c1)NC(=O)C(F)(F)F)[*:1]
CC(=O)Nc1ccc(OC(C)=O)cc1NC(=O)C(F)(F)F O=C(N[*:1])C(F)(F)F CC(=O)Nc1ccc(cc1[*:1])OC(C)=O
CC(=O)Nc1ccc(OC(C)=O)cc1NC(=O)C(F)(F)F CC(=O)O[*:1] CC(=O)Nc1ccc(cc1NC(=O)C(F)(F)F)[*:1]
CC(=O)Nc1ccc(OC(C)=O)cc1NC(=O)C(F)(F)F FC(F)(F)[*:1] CC(=O)Nc1ccc(cc1NC(=O)[*:1])OC(C)=O
CCS[C@H]1CCC[C@H]1NC(=O)CNC(=O)c1ccc(OC)cc1 CCS[*:1] COc1ccc(cc1)C(=O)NCC(=O)N[C@@H]1CCC[C@@H]1[*:1]
COC(=O)c1cc(OCC(=O)Nc2ccc(OC)cc2)c2cc(C)ccc2n1 COC(=O)[*:1] COc1ccc(cc1)NC(=O)COc1cc(nc2ccc(C)cc12)[*:1]
COC(=O)c1cc(OCC(=O)Nc2ccc(OC)cc2)c2cc(C)ccc2n1 COc1ccc(cc1)[*:1] COC(=O)c1cc(OCC(=O)N[*:1])c2cc(C)ccc2n1
Cc1ccc([C@H]2C[NH2+]CC[C@H]2c2cncn2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)n1cncc1[C@@H]1CC[NH2+]C[C@@H]1[*:1]
Cc1ccc([C@H]2C[NH2+]CC[C@H]2c2cncn2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@H]1C[NH2+]CC[C@H]1c1cncn1[*:1]
CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1C Cc1ccccc1[*:1] CCOc1cc(C=O)ccc1OCC(=O)N[*:1]
CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1C CCO[*:1] Cc1ccccc1NC(=O)COc1ccc(C=O)cc1[*:1]
CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N)cc1OC c1ccc(cc1)O[*:1] CC[C@@H](C(=O)Nc1ccc(N)cc1OC)[*:1]
CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N)cc1OC c1ccc(cc1)[*:1] CC[C@@H](O[*:1])C(=O)Nc1ccc(N)cc1OC
C[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C)C1 C[C@H]1OCC[C@@H]1[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[*:1])C1
Cc1ccc2nc(C(=O)N3CCC4(CC3)[C@H](C(=O)[O-])CC(=O)N4C)cn2c1 O=C([O-])[*:1] Cc1ccc2nc(cn2c1)C(=O)N1CCC2(CC1)[C@H](CC(=O)N2C)[*:1]
C[C@@H]([NH3+])c1cc(F)ccc1OCC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H]([NH3+])c1cc(F)ccc1OC[*:1]
C[C@@H]([NH3+])c1cc(F)ccc1OCC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H]([NH3+])c1cc(F)ccc1OCC[*:1]
CC(C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 CC(C)NC(=O)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1[*:1]
CC(C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 CC(C)[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)C2 CC(C)(C)[*:1] Cc1cn2C[C@@H](CCc2[nH+]1)NS(=O)(=O)c1ccc(s1)[*:1]
Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)c(C)n1[*:1]
Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)c2C)no1 c1ccc(cc1)[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)CN2C(=O)NC(C2=O)(c2ccccc2)[*:1])c1C
COc1ccc(/C=N\OCc2nc3c4c(C)c(C)n(-c5cccnc5)c4ncn3n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1c(C)n(-c2cccnc2)c2ncn3nc(CON=C[*:1])nc3c12
COc1ccc(/C=N\OCc2nc3c4c(C)c(C)n(-c5cccnc5)c4ncn3n2)cc1OC c1cncc(c1)[*:1] COc1ccc(/C=N\OCc2nc3c4c(C)c(C)n(c4ncn3n2)[*:1])cc1OC
ClCc1nc2cc(Cl)c(Cl)cc2n1CCc1nccs1 c1csc(C[*:1])n1 ClCc1nc2cc(Cl)c(Cl)cc2n1C[*:1]
ClCc1nc2cc(Cl)c(Cl)cc2n1CCc1nccs1 c1csc(n1)[*:1] ClCc1nc2cc(Cl)c(Cl)cc2n1CC[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)CCc1ccc(F)c(F)c1 COc1ccc(F)cc1[*:1] C[C@H](CCc1ccc(F)c(F)c1)NC(=O)C(=O)N[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)CCc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)CC[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)CCc1ccc(F)c(F)c1 Fc1ccc(cc1F)C[*:1] COc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)C[*:1]
Cc1cc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c(C)s1 FC(F)(F)[*:1] Cc1cc(C(=O)NCC2CCN(CC2)C(=O)[*:1])c(C)s1
Cc1cc(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(N1CCC(CC1)CNC(=O)[*:1])C(F)(F)F
NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 Clc1ccc(cc1)[*:1] NC(=O)[C@@H](N1CCN(CC1)c1ncccn1)[*:1]
NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 NC(=O)[*:1] Clc1ccc(cc1)[C@@H](N1CCN(CC1)c1ncccn1)[*:1]
NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(C)c(C)c3)n2)cc1 CCO[*:1] Cc1ccc(cc1C)C(=O)NCCn1nc(ccc1=O)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(C)c(C)c3)n2)cc1 Cc1ccc(cc1C)[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(CCNC(=O)[*:1])n1
CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(C)c(C)c3)n2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)NCCn1nc(ccc1=O)[*:1]
Cc1c(C(=O)N(C)Cc2ccccc2Cl)oc2ccccc12 Clc1ccccc1[*:1] Cc1c(oc2ccccc12)C(=O)N(C)C[*:1]
CC(=O)Nc1cnc(N2CC=C(c3ccccc3C)CC2)c(C(=O)[O-])c1 O=C([O-])[*:1] CC(=O)Nc1cnc(c(c1)[*:1])N1CC=C(CC1)c1ccccc1C
CC(=O)Nc1cnc(N2CC=C(c3ccccc3C)CC2)c(C(=O)[O-])c1 Cc1ccccc1[*:1] CC(=O)Nc1cnc(c(c1)C(=O)[O-])N1CC=C(CC1)[*:1]
CC(=O)Nc1cnc(N2CC=C(c3ccccc3C)CC2)c(C(=O)[O-])c1 CC(=O)N[*:1] Cc1ccccc1C1=CCN(CC1)c1ncc(cc1C(=O)[O-])[*:1]
O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC[C@@H](Cn2cc[nH+]c2)C1 c1ccc(cc1)[*:1] O=C1CCC(=C1CC(=O)N1CCC[C@H](C1)Cn1cc[nH+]c1)[*:1]
Cc1cc2nc(C)c(CCC(=O)Nc3ccccc3SCCC#N)c(C)n2n1 N#CCCS[*:1] Cc1cc2nc(C)c(CCC(=O)Nc3ccccc3[*:1])c(C)n2n1
Cc1cc2nc(C)c(CCC(=O)Nc3ccccc3SCCC#N)c(C)n2n1 N#CCC[*:1] Cc1cc2nc(C)c(CCC(=O)Nc3ccccc3S[*:1])c(C)n2n1
Cc1cc2nc(C)c(CCC(=O)Nc3ccccc3SCCC#N)c(C)n2n1 N#CC[*:1] Cc1cc2nc(C)c(CCC(=O)Nc3ccccc3SC[*:1])c(C)n2n1
COc1cc(Cl)ccc1C(=O)N[C@@H](C)c1csc(C(C)C)n1 CC(C)[*:1] COc1cc(Cl)ccc1C(=O)N[C@@H](C)c1csc(n1)[*:1]
CC[NH+](CC)C1(C(=O)c2cccnc2)CCCC1 c1cncc(c1)[*:1] CC[NH+](CC)C1(CCCC1)C(=O)[*:1]
C[C@@H]([NH2+][C@H](c1cccc(F)c1)c1ccccn1)C1CCCC1 c1ccc(nc1)[*:1] C[C@@H]([NH2+][C@H](c1cccc(F)c1)[*:1])C1CCCC1
C[C@@H]([NH2+][C@H](c1cccc(F)c1)c1ccccn1)C1CCCC1 Fc1cccc(c1)[*:1] C[C@@H]([NH2+][C@H](c1ccccn1)[*:1])C1CCCC1
C[C@@H]([NH2+][C@H](c1cccc(F)c1)c1ccccn1)C1CCCC1 C1CCC(C1)[*:1] C[C@@H]([NH2+][C@H](c1cccc(F)c1)c1ccccn1)[*:1]
O=C(NCc1ccccc1F)C(=O)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(NCc1ccccc1F)C(=O)N[*:1]
O=C(NCc1ccccc1F)C(=O)Nc1ccccc1Br Fc1ccccc1[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1Br
O=C(CSc1cc(N2CCOCC2)ncn1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CSc1cc(ncn1)N1CCOCC1)N[*:1]
O=C(CSc1cc(N2CCOCC2)ncn1)Nc1cccc(F)c1 C1CN(CCO1)[*:1] O=C(CSc1cc(ncn1)[*:1])Nc1cccc(F)c1
COC(=O)C[C@H](C)N1CCN(Cc2c(C)nc3sccn23)CC1 COC(=O)C[*:1] Cc1nc2sccn2c1CN1CCN(CC1)[C@@H](C)[*:1]
COC(=O)C[C@H](C)N1CCN(Cc2c(C)nc3sccn23)CC1 COC(=O)[*:1] Cc1nc2sccn2c1CN1CCN(CC1)[C@@H](C)C[*:1]
COC(=O)C[C@H](C)N1CCN(Cc2c(C)nc3sccn23)CC1 COC(=O)C[C@H](C)[*:1] Cc1nc2sccn2c1CN1CCN(CC1)[*:1]
Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] Cc1cc(ccc1NS(=O)(=O)[*:1])-c1nc2ccccc2s1
Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 c1ccc2sc(nc2c1)[*:1] Cc1cc(ccc1NS(=O)(=O)c1ccc2OCCOc2c1)[*:1]
C[C@@H](SCC1=NC(=O)C2=C(c3ccccc3)CSC2=N1)C(=O)N(C)Cc1ccsc1 c1cc(cs1)[*:1] C[C@@H](SCC1=NC(=O)C2C(=N1)SCC=2c1ccccc1)C(=O)N(C)C[*:1]
C[C@@H](SCC1=NC(=O)C2=C(c3ccccc3)CSC2=N1)C(=O)N(C)Cc1ccsc1 c1cc(cs1)C[*:1] C[C@@H](SCC1=NC(=O)C2C(=N1)SCC=2c1ccccc1)C(=O)N(C)[*:1]
C[C@@H](SCC1=NC(=O)C2=C(c3ccccc3)CSC2=N1)C(=O)N(C)Cc1ccsc1 CN(Cc1ccsc1)C(=O)[*:1] C[C@@H](SCC1=NC(=O)C2C(=N1)SCC=2c1ccccc1)[*:1]
C[C@@H](SCC1=NC(=O)C2=C(c3ccccc3)CSC2=N1)C(=O)N(C)Cc1ccsc1 c1ccc(cc1)[*:1] C[C@@H](SCC1=NC(=O)C2C(=N1)SCC=2[*:1])C(=O)N(C)Cc1ccsc1
COC[C@@H](C)NC(=O)N1C[C@H]2CC=CC[C@@H]2C1 COC[*:1] C[C@@H](NC(=O)N1C[C@H]2CC=CC[C@@H]2C1)[*:1]
COC[C@@H](C)NC(=O)N1C[C@H]2CC=CC[C@@H]2C1 COC[C@@H](C)[*:1] O=C(N[*:1])N1C[C@H]2CC=CC[C@@H]2C1
Cn1c(Oc2ccccc2NCc2ccc(O)cc2)cc(=O)n(C)c1=O Oc1ccc(cc1)C[*:1] Cn1c(cc(=O)n(C)c1=O)Oc1ccccc1N[*:1]
Cn1c(Oc2ccccc2NCc2ccc(O)cc2)cc(=O)n(C)c1=O Oc1ccc(cc1)[*:1] Cn1c(cc(=O)n(C)c1=O)Oc1ccccc1NC[*:1]
CC[C@H](C)Nc1ncnc(Cl)c1[N+](=O)[O-] CC[C@H](C)[*:1] O=[N+]([O-])c1c(Cl)ncnc1N[*:1]
CC[C@H](C)Nc1ncnc(Cl)c1[N+](=O)[O-] CC[C@H](C)N[*:1] O=[N+]([O-])c1c(Cl)ncnc1[*:1]
CC[C@H](C)Nc1ncnc(Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H](C)Nc1ncnc(Cl)c1[*:1]
C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)C1CC1 FC(F)(F)[*:1] C[C@@H]([NH2+]Cc1cn(C)nc1[*:1])C1CC1
C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)C1CC1 C1CC1[*:1] C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)[*:1]
CCC(=O)N1CCC[C@@H]1C[C@H](C)O C[C@H](O)C[*:1] CCC(=O)N1CCC[C@H]1[*:1]
CCC(=O)N1CCC[C@@H]1C[C@H](C)O C[C@H](O)[*:1] CCC(=O)N1CCC[C@@H]1C[*:1]
CN(C)C(=O)c1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)N1CC[C@H](C1)[*:1]
CN(C)C(=O)c1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1 CN(C)C(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CC[C@@H](C1)c1ccccc1
Cc1ccc2c(c1)CCN2C(=O)NCC(=O)N(C)CCc1ccccn1 c1ccc(nc1)[*:1] Cc1ccc2c(c1)CCN2C(=O)NCC(=O)N(C)CC[*:1]
Cc1ccc2c(c1)CCN2C(=O)NCC(=O)N(C)CCc1ccccn1 c1ccc(CC[*:1])nc1 Cc1ccc2c(c1)CCN2C(=O)NCC(=O)N(C)[*:1]
Cc1ccc2c(c1)CCN2C(=O)NCC(=O)N(C)CCc1ccccn1 c1ccc(C[*:1])nc1 Cc1ccc2c(c1)CCN2C(=O)NCC(=O)N(C)C[*:1]
CCOc1ccccc1C(=O)Nc1ccn(CC#N)n1 N#CC[*:1] CCOc1ccccc1C(=O)Nc1ccn(n1)[*:1]
CCOc1ccccc1C(=O)Nc1ccn(CC#N)n1 CCO[*:1] N#CCn1ccc(n1)NC(=O)c1ccccc1[*:1]
O=C1CSc2nnc(COc3ccc4c(c3)OCO4)n2N1Cc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)C[*:1] O=C1CSc2nnc(COc3ccc4OCOc4c3)n2N1[*:1]
O=C1CSc2nnc(COc3ccc4c(c3)OCO4)n2N1Cc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C1CSc2nnc(COc3ccc4OCOc4c3)n2N1C[*:1]
O=C1CSc2nnc(COc3ccc4c(c3)OCO4)n2N1Cc1cc(F)cc(F)c1 c1cc2OCOc2cc1O[*:1] O=C1CSc2nnc(C[*:1])n2N1Cc1cc(F)cc(F)c1
O=C1CSc2nnc(COc3ccc4c(c3)OCO4)n2N1Cc1cc(F)cc(F)c1 c1cc2OCOc2cc1[*:1] O=C1CSc2nnc(CO[*:1])n2N1Cc1cc(F)cc(F)c1
Cc1c(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)oc2ccc(Cl)cc12 c1ccc(cc1)[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)N[C@@H]([C@H]1CCCO1)[*:1]
Cc1c(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)oc2ccc(Cl)cc12 C1CO[C@H](C1)[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(=O)N1CCC[C@@H](c2cncc(-c3ccc(N)nc3)n2)C1 Nc1ccc(cn1)[*:1] CC(=O)N1CCC[C@H](C1)c1cncc(n1)[*:1]
Cc1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)ccc1[N+](=O)[O-] c1cncc(c1)O[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NCc1ccc(c(F)c1)[*:1]
Cc1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)ccc1[N+](=O)[O-] c1cncc(c1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NCc1ccc(O[*:1])c(F)c1
Cc1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NCc1ccc(Oc2cccnc2)c(F)c1
O=C(Cc1ccn[nH]1)Nc1sc2c(c1C(=O)[O-])CCC2 c1cc(C[*:1])[nH]n1 O=C([O-])c1c(NC(=O)[*:1])sc2CCCc21
O=C(Cc1ccn[nH]1)Nc1sc2c(c1C(=O)[O-])CCC2 O=C([O-])[*:1] O=C(Cc1ccn[nH]1)Nc1sc2CCCc2c1[*:1]
O=C(Cc1ccn[nH]1)Nc1sc2c(c1C(=O)[O-])CCC2 c1cc([nH]n1)[*:1] O=C(C[*:1])Nc1sc2CCCc2c1C(=O)[O-]
NC(=O)[C@H]1CC(C(=O)Nc2ccc(Br)cc2F)=NN1c1ccccc1 NC(=O)[*:1] O=C(Nc1ccc(Br)cc1F)C1C[C@@H](N(N=1)c1ccccc1)[*:1]
NC(=O)[C@H]1CC(C(=O)Nc2ccc(Br)cc2F)=NN1c1ccccc1 Fc1cc(Br)ccc1[*:1] NC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)N[*:1]
NC(=O)[C@H]1CC(C(=O)Nc2ccc(Br)cc2F)=NN1c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CC(=NN1[*:1])C(=O)Nc1ccc(Br)cc1F
CCc1nc(-c2ccc(N3CC(C(=O)NC[C@H]4[NH+]=c5ccc(C)cc5=[NH+]4)=C(C)N3)cc2)no1 CCc1nc(no1)[*:1] CC1NN(CC=1C(=O)NC[C@H]1[NH+]=c2ccc(C)cc2=[NH+]1)c1ccc(cc1)[*:1]
O=C(CS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12)N1CCc2ccccc21 Fc1ccc(cc1)C[*:1] O=C(CS(=O)(=O)c1cn(c2ccccc12)[*:1])N1CCc2ccccc21
O=C(CS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12)N1CCc2ccccc21 Fc1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1cn(C[*:1])c2ccccc12)N1CCc2ccccc21
Cc1cc2[nH]c(C(=O)[O-])c(C=O)c2s1 O=C([O-])[*:1] Cc1cc2[nH]c(c(C=O)c2s1)[*:1]
CCn1cc(NC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)cn1 O=C(N[*:1])c1cccs1 CCn1cc(cn1)NC(=O)c1cc(n(C)n1)[*:1]
CCn1cc(NC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)cn1 c1csc(c1)[*:1] CCn1cc(cn1)NC(=O)c1cc(NC(=O)[*:1])n(C)n1
CCn1cc(NC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)cn1 CCn1cc(cn1)[*:1] Cn1nc(cc1NC(=O)c1cccs1)C(=O)N[*:1]
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCc3nn(C)c(=O)cc3C2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)N2CCc3nn(C)c(=O)cc3C2)c(C)c1[*:1]
O=C(/C=C/c1ccco1)NCc1ccc[nH+]c1N1CCCCC1 C(=C[*:1])c1ccco1 O=C(NCc1ccc[nH+]c1N1CCCCC1)[*:1]
O=C(/C=C/c1ccco1)NCc1ccc[nH+]c1N1CCCCC1 c1coc(c1)[*:1] O=C(C=C[*:1])NCc1ccc[nH+]c1N1CCCCC1
O=C(/C=C/c1ccco1)NCc1ccc[nH+]c1N1CCCCC1 C1CCN(CC1)[*:1] O=C(/C=C/c1ccco1)NCc1ccc[nH+]c1[*:1]
CN(CC(=O)NC(=O)NC1CC1)CC(C)(C)C[NH3+] C1CC1[*:1] CN(CC(=O)NC(=O)N[*:1])CC(C)(C)C[NH3+]
CC[NH2+][C@H](C)c1cc(F)c(C)cc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC[NH2+][C@H](C)c1cc(F)c(C)cc1O[*:1]
CC[NH2+][C@H](C)c1cc(F)c(C)cc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[NH2+][C@H](C)c1cc(F)c(C)cc1OC[*:1]
Cc1ccc2oc(=O)c3cc(C(=O)N(C)c4ccc(F)cc4)sc3c2c1 Fc1ccc(cc1)[*:1] Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)N(C)[*:1]
CCCn1nc(C(=O)NNC(=O)c2cnn(CC)c2)c2ccccc2c1=O CCn1cc(cn1)[*:1] CCCn1nc(C(=O)NNC(=O)[*:1])c2ccccc2c1=O
CCCn1nc(C(=O)NNC(=O)c2cnn(CC)c2)c2ccccc2c1=O CCC[*:1] CCn1cc(cn1)C(=O)NNC(=O)c1nn(c(=O)c2ccccc12)[*:1]
Cc1cccc(C)c1NC(=O)C1(N(Cc2ccccc2)C(=O)CCl)CCCCC1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)C1(CCCCC1)N(C[*:1])C(=O)CCl
Cc1cccc(C)c1NC(=O)C1(N(Cc2ccccc2)C(=O)CCl)CCCCC1 Cc1cccc(C)c1[*:1] O=C(CCl)N(Cc1ccccc1)C1(CCCCC1)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)C1(N(Cc2ccccc2)C(=O)CCl)CCCCC1 c1ccc(cc1)C[*:1] Cc1cccc(C)c1NC(=O)C1(CCCCC1)N(C(=O)CCl)[*:1]
CC(C)(C)c1nnnn1C[C@@H](O)COc1cccc2ccccc12 CC(C)(C)[*:1] O[C@@H](COc1cccc2ccccc12)Cn1nnnc1[*:1]
O=C(NN1C(=O)c2ccccc2N[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 O=[N+]([O-])[*:1] O=C(NN1C(=O)c2ccccc2N[C@H]1c1cccc(c1)[*:1])c1ccc(Br)cc1
O=C(NN1C(=O)c2ccccc2N[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@@H](c2cccc(c2)[N+](=O)[O-])N1NC(=O)[*:1]
O=C(NN1C(=O)c2ccccc2N[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NN1C(=O)c2ccccc2N[C@@H]1[*:1])c1ccc(Br)cc1
N#Cc1ccsc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O N#Cc1ccsc1[*:1] O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N[*:1]
C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 c1csc(c1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CCC[C@H](C)NC(=O)c1cc(Br)c(Br)s1 CCC[*:1] C[C@H](NC(=O)c1cc(Br)c(Br)s1)[*:1]
CCC[C@H](C)NC(=O)c1cc(Br)c(Br)s1 CCC[C@H](C)[*:1] O=C(N[*:1])c1cc(Br)c(Br)s1
NS(=O)(=O)N1CCC(C(=O)NC(C2CC2)C2CC2)CC1 C1CC1[*:1] NS(=O)(=O)N1CCC(CC1)C(=O)NC(C1CC1)[*:1]
C[S@](=O)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[S@](=O)CCCNC(=O)Nc1cccc(c1)[*:1]
CNC(=O)c1ccc(N/C(=[NH+]\C(C)C)c2ccccc2)cc1 CC(C)[*:1] CNC(=O)c1ccc(cc1)NC(=[NH+][*:1])c1ccccc1
CNC(=O)c1ccc(N/C(=[NH+]\C(C)C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)N/C(=[NH+]\C(C)C)[*:1]
CNC(=O)c1ccc(N/C(=[NH+]\C(C)C)c2ccccc2)cc1 CNC(=O)[*:1] CC(C)/[NH+]=C(\Nc1ccc(cc1)[*:1])c1ccccc1
COC(=O)c1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)cc1F O=C1CCCN1[*:1] COC(=O)c1ccc(cc1F)C[NH+]1CCC(CC1)[*:1]
COC(=O)c1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)cc1F COC(=O)[*:1] O=C1CCCN1C1CC[NH+](CC1)Cc1ccc(c(F)c1)[*:1]
CCc1nn(C)cc1NC(=O)c1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] CCc1nn(C)cc1NC(=O)c1ccc(c(F)c1)[*:1]
O=C(COC(=O)c1ccoc1)Nc1nccs1 c1cc(co1)[*:1] O=C(COC(=O)[*:1])Nc1nccs1
O=C(COC(=O)c1ccoc1)Nc1nccs1 c1csc(n1)[*:1] O=C(COC(=O)c1ccoc1)N[*:1]
COc1ccccc1S(=O)(=O)N1CCC[C@@H](c2cc(C[NH+](C)C)n(C)n2)C1 COc1ccccc1[*:1] Cn1nc(cc1C[NH+](C)C)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCOc1nc(C)ccc1-c1noc(-c2ccccc2F)n1 CCO[*:1] Cc1ccc(-c2noc(n2)-c2ccccc2F)c(n1)[*:1]
CCOc1nc(C)ccc1-c1noc(-c2ccccc2F)n1 Fc1ccccc1[*:1] CCOc1nc(C)ccc1-c1noc(n1)[*:1]
C=CC[NH+]1CCN(Cc2nnnn2C2CCCC2)CC1 C1CCC(C1)[*:1] C=CC[NH+]1CCN(CC1)Cc1nnnn1[*:1]
COc1cc(C)ccc1NC(=O)N[C@@H](C)c1cccc(Br)c1 Brc1cccc(c1)[*:1] COc1cc(C)ccc1NC(=O)N[C@@H](C)[*:1]
C#CCN(CC#C)Cc1coc(-c2cccc(Cl)c2)n1 C#CC[*:1] C#CCN(Cc1coc(n1)-c1cccc(Cl)c1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cc(OC)c(C)c(OC)c1 CNC(=O)[*:1] COc1cc(cc(OC)c1C)C(=O)N(C)C[C@@H](C)[*:1]
C[C@H]1CN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H](C)O1 NS(=O)(=O)[*:1] C[C@H]1CN(CC(=O)Nc2cccc(c2)[*:1])C[C@@H](C)O1
CCOc1ccc(S(=O)(=O)/N=C(\[O-])C(c2ccccc2)c2ccccc2)cc1 CCO[*:1] O=S(=O)(/N=C(\[O-])C(c1ccccc1)c1ccccc1)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)/N=C(\[O-])C(c2ccccc2)c2ccccc2)cc1 CCOc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])C(c1ccccc1)c1ccccc1)[*:1]
CCOc1ccc(S(=O)(=O)/N=C(\[O-])C(c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)S(=O)(=O)/N=C(\[O-])C(c1ccccc1)[*:1]
O=C(CSc1ccccn1)N[C@@H](c1ccc(F)cc1)c1cccs1 c1ccc(nc1)S[*:1] O=C(C[*:1])N[C@@H](c1ccc(F)cc1)c1cccs1
O=C(CSc1ccccn1)N[C@@H](c1ccc(F)cc1)c1cccs1 c1ccc(nc1)SC[*:1] O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)[*:1]
O=C(CSc1ccccn1)N[C@@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] O=C(CSc1ccccn1)N[C@@H](c1ccc(F)cc1)[*:1]
O=C(CSc1ccccn1)N[C@@H](c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(CSc1ccccn1)N[C@@H](c1cccs1)[*:1]
O=C(CSc1ccccn1)N[C@@H](c1ccc(F)cc1)c1cccs1 c1ccc(nc1)[*:1] O=C(CS[*:1])N[C@@H](c1ccc(F)cc1)c1cccs1
O=C(Nc1cccc(F)c1F)N1CCC[NH+](Cc2ccc(F)cc2)CC1 Fc1cccc(c1F)[*:1] O=C(N[*:1])N1CCC[NH+](CC1)Cc1ccc(F)cc1
O=C(Nc1cccc(F)c1F)N1CCC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(Nc1cccc(F)c1F)N1CCC[NH+](CC1)[*:1]
O=C(Nc1cccc(F)c1F)N1CCC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1F)N1CCC[NH+](CC1)C[*:1]
Cc1cnn(-c2ccc(NC(=O)C(=O)N3CC[C@H](C)[C@@H](O)C3)cc2F)c1 Cc1cnn(c1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)[C@@H]1CC=CCC1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@@H]1CC=CCC1
COc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2cc(C)ccc2F)cc1 Cc1ccc(F)c(c1)[*:1] COc1ccc(cc1)CC[C@H](C)NC(=O)C(=O)N[*:1]
COc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2cc(C)ccc2F)cc1 COc1ccc(cc1)[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)N[C@@H](C)CC[*:1]
COc1ccc2c(c1)C[C@@H](C(=O)NCc1c(C)nn(C)c1C)CO2 Cc1nn(C)c(C)c1[*:1] COc1ccc2OC[C@@H](Cc2c1)C(=O)NC[*:1]
CC(C)CCc1noc(COc2cc(F)cc(F)c2)n1 CC(C)[*:1] Fc1cc(F)cc(c1)OCc1nc(CC[*:1])no1
CC(C)CCc1noc(COc2cc(F)cc(F)c2)n1 CC(C)C[*:1] Fc1cc(F)cc(c1)OCc1nc(C[*:1])no1
CC(C)CCc1noc(COc2cc(F)cc(F)c2)n1 CC(C)CC[*:1] Fc1cc(F)cc(c1)OCc1nc(no1)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2)ns1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1nc(ns1)-c1ccccc1
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2)ns1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])Nc1nc(ns1)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)c2ccoc2)nn1 c1cc(co1)[*:1] Cc1ccc(nn1)-n1nc(C)cc1NC(=O)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)c2ccoc2)nn1 Cc1ccc(nn1)[*:1] Cc1cc(NC(=O)c2ccoc2)n(n1)[*:1]
CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCc3sccc3C2)cc1 CC(=O)C[*:1] C[C@@H](Oc1ccc(cc1)C[*:1])C(=O)N1CCc2sccc2C1
CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCc3sccc3C2)cc1 CC(=O)[*:1] C[C@@H](Oc1ccc(cc1)CC[*:1])C(=O)N1CCc2sccc2C1
CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCc3sccc3C2)cc1 CC(=O)CC[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)N1CCc2sccc2C1
Cc1nc(=O)c2cccnc2n1C1=CCN(C(=O)c2ccccn2)CC1 c1ccc(nc1)[*:1] Cc1nc(=O)c2cccnc2n1C1=CCN(CC1)C(=O)[*:1]
O=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@@H](O)c1ccc(C(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C1N[C@@H](CC[*:1])C(=O)N1C[C@@H](O)c1ccc(cc1)C(F)(F)F
O=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@@H](O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@@H](O)c1ccc(cc1)[*:1]
O=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@@H](O)c1ccc(C(F)(F)F)cc1 c1ccc(cc1)CC[*:1] O=C1N[C@@H](C(=O)N1C[C@@H](O)c1ccc(cc1)C(F)(F)F)[*:1]
O=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@@H](O)c1ccc(C(F)(F)F)cc1 c1ccc(cc1)C[*:1] O=C1N[C@@H](C[*:1])C(=O)N1C[C@@H](O)c1ccc(cc1)C(F)(F)F
NC(=O)[C@H]1CCCCN1c1ncc(N)cc1Br NC(=O)[*:1] Nc1cnc(c(Br)c1)N1CCCC[C@@H]1[*:1]
COCCOCCSc1cccc(C)c1N COCC[*:1] Cc1cccc(SCCO[*:1])c1N
COCCOCCSc1cccc(C)c1N COCCO[*:1] Cc1cccc(SCC[*:1])c1N
COCCOCCSc1cccc(C)c1N COC[*:1] Cc1cccc(SCCOC[*:1])c1N
O=C1/C(=N/O)c2ccc(Cl)cc2N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1/C(=N/O)c2ccc(Cl)cc2N1C[*:1]
COCC[NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 COCC[*:1] C[C@H]([NH2+][*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
COCC[NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] COCC[NH2+][C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
COCC[NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 COC[*:1] C[C@H]([NH2+]C[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
CCOc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 CCOc1ccc(cc1)[*:1] CC(C)C[C@H](C(=O)N[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CCOc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 CCO[*:1] CC(C)C[C@H](C(=O)Nc1ccc(cc1)[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CCOc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 CC(C)[*:1] CCOc1ccc(cc1)NC(=O)[C@@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CCOc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 CC(C)C[*:1] CCOc1ccc(cc1)NC(=O)[C@@H](N1C(=O)[C@H]2CC=CC[C@H]2C1=O)[*:1]
C[C@H](CO)CS(=O)(=O)Cc1csc(-c2ccoc2)n1 c1cc(co1)[*:1] C[C@H](CO)CS(=O)(=O)Cc1csc(n1)[*:1]
C[C@H](CO)CS(=O)(=O)Cc1csc(-c2ccoc2)n1 C[C@H](CO)[*:1] O=S(=O)(Cc1csc(n1)-c1ccoc1)C[*:1]
CCCCN[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CC(=O)[O-] CCC[*:1] O=C([O-])C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1NC[*:1]
CCCCN[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CC(=O)[O-] O=C([O-])[*:1] CCCCN[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]C[*:1]
CCCCN[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CC(=O)[O-] CCCCN[*:1] O=C([O-])C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1[*:1]
CCCCN[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CC(=O)[O-] CCCC[*:1] O=C([O-])C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N[*:1]
CC[C@H](C)Oc1ccc(NC(=O)c2cnc(C)cn2)cc1 CC[C@H](C)[*:1] Cc1cnc(cn1)C(=O)Nc1ccc(cc1)O[*:1]
CC[C@H](C)Oc1ccc(NC(=O)c2cnc(C)cn2)cc1 CC[C@H](C)O[*:1] Cc1cnc(cn1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)Oc1ccc(NC(=O)c2cnc(C)cn2)cc1 Cc1cnc(cn1)[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)[*:1]
COc1ccc(-c2noc(-c3cccnc3)n2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)-c1noc(n1)[*:1]
Cc1ncc([C@H](C)[NH2+]CCNC(=O)c2ccc(Cl)c(Cl)c2)s1 Cc1ncc(s1)[*:1] C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)c(Cl)c1)[*:1]
O=c1[nH]c(CNCc2ccc(F)cc2)nc2ccccc12 Fc1ccc(cc1)[*:1] O=c1[nH]c(CNC[*:1])nc2ccccc12
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCC2)CCCC3)[C@@H](C(=O)[O-])C1 O=C(NC1CCCC1)[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)C(=O)Nc1sc2CCCCc2c1[*:1]
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCC2)CCCC3)[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC1C[C@H](C(=O)Nc2sc3CCCCc3c2C(=O)NC2CCCC2)[C@@H](CC=1C)[*:1]
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCC2)CCCC3)[C@@H](C(=O)[O-])C1 C1CCC(C1)[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)C(=O)Nc1sc2CCCCc2c1C(=O)N[*:1]
Cc1nn(C[C@@H](O)COc2ccccc2C(C)C)c(C)c1[N+](=O)[O-] CC(C)[*:1] Cc1nn(C[C@@H](O)COc2ccccc2[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(C[C@@H](O)COc2ccccc2C(C)C)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C[C@@H](O)COc2ccccc2C(C)C)c(C)c1[*:1]
CNC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CNC(=O)/C(C#N)=C\c1ccc(cc1)OC[*:1]
CNC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)cc1 CNC(=O)[*:1] N#CC(=Cc1ccc(cc1)OCc1ccccc1Cl)[*:1]
CC1(C)CC2(C[C@@H](c3ccc4c(c3)OCO4)[C@H]1[N+](=O)[O-])OCCO2 O=[N+]([O-])[*:1] CC1(C)CC2(C[C@@H](c3ccc4OCOc4c3)[C@@H]1[*:1])OCCO2
COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)C2=NC(=O)NC(=O)C2)cc1 COc1ccc(cc1)[*:1] O=C1CC(=NC(=O)N1)C(=O)OCC(=O)N1N=C(C[C@@H]1[*:1])c1ccc2ccccc2c1
COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)C2=NC(=O)NC(=O)C2)cc1 c1ccc2cc(ccc2c1)[*:1] COc1ccc(cc1)[C@H]1CC(=NN1C(=O)COC(=O)C1CC(=O)NC(=O)N=1)[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)CSCC(F)(F)F)CC1 FC(F)(F)CSC[*:1] Cc1cccc(C)c1OC1CCN(CC1)C(=O)[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)CSCC(F)(F)F)CC1 FC(F)(F)CS[*:1] Cc1cccc(C)c1OC1CCN(CC1)C(=O)C[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)CSCC(F)(F)F)CC1 Cc1cccc(C)c1[*:1] O=C(CSCC(F)(F)F)N1CCC(CC1)O[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)CSCC(F)(F)F)CC1 FC(F)(F)C[*:1] Cc1cccc(C)c1OC1CCN(CC1)C(=O)CS[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)CSCC(F)(F)F)CC1 FC(F)(F)[*:1] Cc1cccc(C)c1OC1CCN(CC1)C(=O)CSC[*:1]
C[C@H]1CN([C@H](C(=O)[O-])c2ccccc2)S(=O)(=O)C1 c1ccc(cc1)[*:1] C[C@H]1CN([C@H](C(=O)[O-])[*:1])S(=O)(=O)C1
C[C@H]1CN([C@H](C(=O)[O-])c2ccccc2)S(=O)(=O)C1 O=C([O-])[*:1] C[C@H]1CN([C@H](c2ccccc2)[*:1])S(=O)(=O)C1
O=C(NC[C@H](O)c1ccc(F)c(F)c1)Nc1cccc2[nH]ccc12 Fc1ccc(cc1F)[*:1] O=C(NC[C@H](O)[*:1])Nc1cccc2[nH]ccc12
CCc1cc([O-])nc(-n2[nH+]c(C(C)(C)C)cc2NC(=O)NCc2ccc(F)cc2)n1 Fc1ccc(cc1)C[*:1] CCc1cc([O-])nc(n1)-n1[nH+]c(cc1NC(=O)N[*:1])C(C)(C)C
CCc1cc([O-])nc(-n2[nH+]c(C(C)(C)C)cc2NC(=O)NCc2ccc(F)cc2)n1 CC(C)(C)[*:1] CCc1cc([O-])nc(n1)-n1[nH+]c(cc1NC(=O)NCc1ccc(F)cc1)[*:1]
CCc1cc([O-])nc(-n2[nH+]c(C(C)(C)C)cc2NC(=O)NCc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCc1cc([O-])nc(n1)-n1[nH+]c(cc1NC(=O)NC[*:1])C(C)(C)C
CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1C c1coc(c1)[*:1] CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(n1C)[*:1]
CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1C c1ccc(cc1)C[*:1] CC(C)N(C(=O)CSc1nnc(-c2ccco2)n1C)[*:1]
CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1C c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)CSc1nnc(-c2ccco2)n1C
CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1C CC(C)[*:1] Cn1c(nnc1-c1ccco1)SCC(=O)N(Cc1ccccc1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1Cl CC(=O)N[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(c(Cl)c1)[*:1]
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC(C)(C)[*:1]
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC(C)(C)c1ccncc1 Fc1ccccc1O[*:1] C[C@@H](C(=O)NNC(=O)NCC(C)(C)c1ccncc1)[*:1]
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC(C)(C)c1ccncc1 CC(C)(c1ccncc1)[*:1] C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NC[*:1]
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)NCC(C)(C)c1ccncc1 Fc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)NCC(C)(C)c1ccncc1
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)C1=Cc2ccccc2OC1 COC(=O)[*:1] O=C(N[C@H]1CCCC[C@@H]1[*:1])C1=Cc2ccccc2OC1
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F Fc1cccc(F)c1[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N[C@H]1C[C@H]1[*:1]
C[C@@]1(C[NH2+]C[C@@H]2OCCc3ccccc32)CCCO1 C[C@]1(CCCO1)[*:1] c1ccc2c(c1)CCO[C@H]2C[NH2+]C[*:1]
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC2CCCCC2)C1=O O=[N+]([O-])[*:1] C[C@@]1(NC(=O)N(CC2CCCCC2)C1=O)c1ccc(cc1)[*:1]
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC2CCCCC2)C1=O C1CCC(CC1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC2CCCCC2)C1=O C1CCC(CC1)C[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1cccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)n1 COc1cccc(n1)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])NCc1ccccc1
COc1cccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] COc1cccc(n1)C(=O)N1CCN(CC1)CC(=O)NC[*:1]
COc1cccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] COc1cccc(n1)C(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1cccc(OC(=O)C(C(F)(F)F)C(F)(F)F)c1C FC(F)(F)[*:1] Cc1cccc(OC(=O)C(C(F)(F)F)[*:1])c1C
CC1(C)CN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CCO1 c1coc(c1)[*:1] CC1(C)CN(CCO1)C(=O)c1cccc(c1)NC(=O)[*:1]
CC1(C)CN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CCO1 O=C(N[*:1])c1ccco1 CC1(C)CN(CCO1)C(=O)c1cccc(c1)[*:1]
CNC(=O)c1nnn(-c2ccc(OC)cc2)c1N CNC(=O)[*:1] COc1ccc(cc1)-n1nnc(c1N)[*:1]
CC(C)COC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 CC(C)C[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC(CC1)O[*:1])c1cccs1
CC(C)COC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 CC(C)CO[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC(CC1)[*:1])c1cccs1
CC(C)COC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 c1csc(c1)[*:1] CC(C)COC1CCN(CC1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CC(C)COC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 CC(C)[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC(CC1)OC[*:1])c1cccs1
Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1 c1coc(c1)[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)[C@H]1CCCN1C(=O)[*:1]
Cc1cc(C)n(-c2ncnc(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2N)n1 Cc1cc(C)n(n1)[*:1] CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(c2N)[*:1])C1
O=C(OCc1ccc(-n2cccn2)cc1)[C@@H]1CCCc2ccccc21 c1cnn(c1)[*:1] O=C(OCc1ccc(cc1)[*:1])[C@@H]1CCCc2ccccc21
Cc1cnn(C[C@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)c1 Cc1cnn(c1)[*:1] O=C(c1cc2ccccc2[nH]1)N1CCCC[C@@H]1C[*:1]
Cc1cnn(C[C@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)c1 Cc1cnn(c1)C[*:1] O=C(c1cc2ccccc2[nH]1)N1CCCC[C@@H]1[*:1]
CC(=O)Nc1cccc(-c2nc(-c3cccc(C(=O)NC(C)C)c3)no2)c1 CC(C)NC(=O)[*:1] CC(=O)Nc1cccc(c1)-c1nc(no1)-c1cccc(c1)[*:1]
CC(=O)Nc1cccc(-c2nc(-c3cccc(C(=O)NC(C)C)c3)no2)c1 CC(=O)N[*:1] CC(C)NC(=O)c1cccc(c1)-c1noc(n1)-c1cccc(c1)[*:1]
CC(=O)Nc1cccc(-c2nc(-c3cccc(C(=O)NC(C)C)c3)no2)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)-c1nc(no1)-c1cccc(c1)C(=O)N[*:1]
COc1ccc(-c2csc(-c3cc(NC(=O)/C=C/c4ccccc4)n(C)n3)n2)cc1OC C(=C[*:1])c1ccccc1 COc1ccc(cc1OC)-c1csc(n1)-c1cc(NC(=O)[*:1])n(C)n1
COc1ccc(-c2csc(-c3cc(NC(=O)/C=C/c4ccccc4)n(C)n3)n2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1csc(n1)-c1cc(NC(=O)C=C[*:1])n(C)n1
COc1ccc(-c2csc(-c3cc(NC(=O)/C=C/c4ccccc4)n(C)n3)n2)cc1OC COc1ccc(cc1OC)[*:1] Cn1nc(cc1NC(=O)/C=C/c1ccccc1)-c1nc(cs1)[*:1]
CC(C)(C)NC(=O)CNC(=O)Nc1ccc2c(c1)C(=O)CCC2 CC(C)(C)[*:1] O=C(CNC(=O)Nc1ccc2CCCC(=O)c2c1)N[*:1]
CC(C)(C)NC(=O)CNC(=O)Nc1ccc2c(c1)C(=O)CCC2 CC(C)(C)NC(=O)[*:1] O=C(NC[*:1])Nc1ccc2CCCC(=O)c2c1
O=C(NC1CC1)c1ccc(-c2cccs2)nc1 c1csc(c1)[*:1] O=C(NC1CC1)c1ccc(nc1)[*:1]
O=C(NC1CC1)c1ccc(-c2cccs2)nc1 C1CC1[*:1] O=C(N[*:1])c1ccc(nc1)-c1cccs1
CCOc1ccc(NC(=O)NCCCc2c(C)noc2C)cc1F CCO[*:1] Cc1noc(C)c1CCCNC(=O)Nc1ccc(c(F)c1)[*:1]
CCOc1ccc(NC(=O)NCCCc2c(C)noc2C)cc1F Cc1noc(C)c1[*:1] CCOc1ccc(cc1F)NC(=O)NCCC[*:1]
CCOc1ccc(NC(=O)NCCCc2c(C)noc2C)cc1F Cc1noc(C)c1C[*:1] CCOc1ccc(cc1F)NC(=O)NCC[*:1]
C[C@@H](Sc1nnc(CN2CCCC2=O)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1 O=C1CCCN1[*:1] C[C@@H](Sc1nnc(C[*:1])o1)c1nc(no1)-c1cccc(c1)C(F)(F)F
C[C@@H](Sc1nnc(CN2CCCC2=O)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1 FC(F)(F)c1cccc(c1)[*:1] C[C@@H](Sc1nnc(CN2CCCC2=O)o1)c1nc(no1)[*:1]
C[C@@H](Sc1nnc(CN2CCCC2=O)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] C[C@@H](Sc1nnc(CN2CCCC2=O)o1)c1nc(no1)-c1cccc(c1)[*:1]
C[C@@H](Sc1nnc(CN2CCCC2=O)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1 O=C1CCCN1C[*:1] C[C@@H](Sc1nnc(o1)[*:1])c1nc(no1)-c1cccc(c1)C(F)(F)F
O=C(NCCc1cccc(F)c1)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(NCCc1cccc(F)c1)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCc1cccc(F)c1)N[C@@H]1CC(=O)N(C2CC2)C1 Fc1cccc(c1)[*:1] O=C(NCC[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
CCc1nc2c(s1)[C@H]([NH2+]Cc1cccc(-c3ccccn3)c1)CCC2 c1ccc(nc1)[*:1] CCc1nc2CCC[C@@H]([NH2+]Cc3cccc(c3)[*:1])c2s1
N#Cc1ccc(CSCc2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] N#Cc1ccc(cc1)CSCc1ccc(cc1)[*:1]
CC(C)=CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl Clc1cc(Br)ccc1[*:1] CC(C)=CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CC(C)=CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl CC(C)=CC[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N=C(S[*:1])N2c1ccc(Br)cc1Cl
CC(C)=CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl CC(C)=C[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N=C(SC[*:1])N2c1ccc(Br)cc1Cl
CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)cc2N1 FC(F)(F)[*:1] CC(C)[C@@H]1C[C@H](n2nc(cc2N1)[C@@H]1CCCN(C1)C(=O)c1cc[nH]n1)[*:1]
CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)cc2N1 CC(C)[*:1] O=C(c1cc[nH]n1)N1CCC[C@H](C1)c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)cc2N1 c1cc(n[nH]1)[*:1] CC(C)[C@@H]1C[C@@H](n2nc(cc2N1)[C@@H]1CCCN(C1)C(=O)[*:1])C(F)(F)F
Cc1cc([C@@H](C)NC(=O)c2cnn(-c3ccncc3)c2C)c(C)s1 c1cc(ccn1)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)c1cnn(c1C)[*:1]
Cc1cc([C@@H](C)NC(=O)c2cnn(-c3ccncc3)c2C)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N[C@H](C)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1c1ccccc1 c1ccc(cc1)[*:1] CC1=C(C(=O)OC(C)C)[C@H](NC(=O)N1[*:1])c1cccc(c1)[N+](=O)[O-]
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1c1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] CC1=C(C(=O)OC(C)C)[C@@H](NC(=O)N1c1ccccc1)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1c1ccccc1 CC(C)OC(=O)[*:1] CC1=C([C@H](NC(=O)N1c1ccccc1)c1cccc(c1)[N+](=O)[O-])[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1c1ccccc1 O=[N+]([O-])[*:1] CC1=C(C(=O)OC(C)C)[C@H](NC(=O)N1c1ccccc1)c1cccc(c1)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1c1ccccc1 CC(C)[*:1] CC1=C(C(=O)O[*:1])[C@H](NC(=O)N1c1ccccc1)c1cccc(c1)[N+](=O)[O-]
N#Cc1ccc(OC2CCC(NS(=O)(=O)Cc3cccc(F)c3)CC2)nc1 Fc1cccc(c1)[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NS(=O)(=O)C[*:1]
N#Cc1ccc(OC2CCC(NS(=O)(=O)Cc3cccc(F)c3)CC2)nc1 Fc1cccc(c1)C[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NS(=O)(=O)[*:1]
N#Cc1ccc(OC2CCC(NS(=O)(=O)Cc3cccc(F)c3)CC2)nc1 N#Cc1ccc(nc1)O[*:1] O=S(=O)(Cc1cccc(F)c1)NC1CCC(CC1)[*:1]
N#Cc1ccc(OC2CCC(NS(=O)(=O)Cc3cccc(F)c3)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=S(=O)(Cc1cccc(F)c1)NC1CCC(CC1)O[*:1]
COc1ccccc1C(=O)N1CCN(C(=O)CCCc2cn[nH]c2)CC1 COc1ccccc1[*:1] O=C(CCCc1cn[nH]c1)N1CCN(CC1)C(=O)[*:1]
COc1ccccc1C(=O)N1CCN(C(=O)CCCc2cn[nH]c2)CC1 c1n[nH]cc1C[*:1] COc1ccccc1C(=O)N1CCN(CC1)C(=O)CC[*:1]
COc1ccccc1C(=O)N1CCN(C(=O)CCCc2cn[nH]c2)CC1 c1n[nH]cc1CC[*:1] COc1ccccc1C(=O)N1CCN(CC1)C(=O)C[*:1]
COc1ccccc1C(=O)N1CCN(C(=O)CCCc2cn[nH]c2)CC1 c1n[nH]cc1[*:1] COc1ccccc1C(=O)N1CCN(CC1)C(=O)CCC[*:1]
COc1ccccc1C(=O)N1CCN(C(=O)CCCc2cn[nH]c2)CC1 c1n[nH]cc1CCC[*:1] COc1ccccc1C(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(CN(C)C(=O)c2cnccn2)cc1F c1cnc(cn1)[*:1] COc1ccc(cc1F)CN(C)C(=O)[*:1]
Cc1cccc(NC(=O)NCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 Cc1cccc(c1)[*:1] O=C(NCC(=O)N1CCO[C@H](C1)c1ccc(F)cc1)N[*:1]
Cc1cccc(NC(=O)NCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)NCC(=O)N1CCO[C@@H](C1)[*:1]
O=C(NCc1nc2ccccc2n1Cc1ccccc1F)C1CC1 C1CC1[*:1] O=C(NCc1nc2ccccc2n1Cc1ccccc1F)[*:1]
O=C(NCc1nc2ccccc2n1Cc1ccccc1F)C1CC1 Fc1ccccc1C[*:1] O=C(NCc1nc2ccccc2n1[*:1])C1CC1
O=C(NCc1nc2ccccc2n1Cc1ccccc1F)C1CC1 O=C(NC[*:1])C1CC1 Fc1ccccc1Cn1c(nc2ccccc21)[*:1]
O=C(NCc1nc2ccccc2n1Cc1ccccc1F)C1CC1 O=C(N[*:1])C1CC1 Fc1ccccc1Cn1c(C[*:1])nc2ccccc21
O=C(NCc1nc2ccccc2n1Cc1ccccc1F)C1CC1 Fc1ccccc1[*:1] O=C(NCc1nc2ccccc2n1C[*:1])C1CC1
CCN(C(=O)c1ccc([S@](=O)C(C)C)cc1)c1cc(C)ccc1C CC(C)[*:1] CCN(C(=O)c1ccc(cc1)[S@](=O)[*:1])c1cc(C)ccc1C
CCN(C(=O)c1ccc([S@](=O)C(C)C)cc1)c1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CCN(C(=O)c1ccc(cc1)[S@](=O)C(C)C)[*:1]
C[C@@H](CCCO)NC(=O)Nc1cccc(C(=O)NC2CC2)c1 OCC[*:1] C[C@@H](C[*:1])NC(=O)Nc1cccc(c1)C(=O)NC1CC1
C[C@@H](CCCO)NC(=O)Nc1cccc(C(=O)NC2CC2)c1 OCCC[*:1] C[C@@H](NC(=O)Nc1cccc(c1)C(=O)NC1CC1)[*:1]
C[C@@H](CCCO)NC(=O)Nc1cccc(C(=O)NC2CC2)c1 C[C@@H](CCCO)[*:1] O=C(Nc1cccc(c1)C(=O)NC1CC1)N[*:1]
C[C@@H](CCCO)NC(=O)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] C[C@@H](CCCO)NC(=O)Nc1cccc(c1)[*:1]
C[C@@H](CCCO)NC(=O)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] C[C@@H](CCCO)NC(=O)Nc1cccc(c1)C(=O)N[*:1]
COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccccc1Cl c1csc(c1)[*:1] COc1cc(ccc1NC(=O)c1ccccc1Cl)NC(=O)[*:1]
COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccccc1Cl O=C(N[*:1])c1cccs1 COc1cc(ccc1NC(=O)c1ccccc1Cl)[*:1]
COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)c1cccs1
CC(C)C[C@]1(Cc2ccc(C(F)(F)F)cc2)CCC[NH2+]1 CC(C)C[*:1] FC(F)(F)c1ccc(cc1)C[C@@]1(CCC[NH2+]1)[*:1]
CC(C)C[C@]1(Cc2ccc(C(F)(F)F)cc2)CCC[NH2+]1 CC(C)[*:1] FC(F)(F)c1ccc(cc1)C[C@]1(CCC[NH2+]1)C[*:1]
CC(C)C[C@]1(Cc2ccc(C(F)(F)F)cc2)CCC[NH2+]1 FC(F)(F)[*:1] CC(C)C[C@@]1(CCC[NH2+]1)Cc1ccc(cc1)[*:1]
CSc1ccc(/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1 Cc1cccc(n1)[*:1] CSc1ccc(cc1)/[NH+]=c1\oc2ccccc2cc1C(=O)N[*:1]
CC[C@@](C)([C@H](O)Cc1nccs1)[NH+]1CCCC1 c1csc(n1)[*:1] CC[C@@](C)([C@H](O)C[*:1])[NH+]1CCCC1
Cc1cccc(/C=C/C(=O)OCCN2CCN(C(=O)C3CCC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(C=C[*:1])OCCN1CCN(CC1)C(=O)C1CCC1
Cc1cccc(/C=C/C(=O)OCCN2CCN(C(=O)C3CCC3)CC2)c1 C1CC(C1)[*:1] Cc1cccc(/C=C/C(=O)OCCN2CCN(CC2)C(=O)[*:1])c1
COc1ccc(OC)c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@@H]1CCCCN1S(=O)(=O)[*:1]
C[C@@H](C[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)Oc1ccccc1F Fc1ccccc1[*:1] C[C@@H](C[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)O[*:1]
C[C@@H](C[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@@H](C[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)[*:1]
CCC[NH+](C)CC(=O)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] CCC[NH+](C)CC(=O)Nc1ccccc1[*:1]
CCC[NH+](C)CC(=O)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] CCC[NH+](C)CC(=O)Nc1ccccc1C[*:1]
Cc1cccc2c1[C@@H]1c3c(C)cccc3[C@H](CC(=O)[O-])C[C@H]1CC2 O=C([O-])C[*:1] Cc1cccc2CC[C@@H]3C[C@@H](c4cccc(C)c4[C@H]3c12)[*:1]
Cc1cccc2c1[C@@H]1c3c(C)cccc3[C@H](CC(=O)[O-])C[C@H]1CC2 O=C([O-])[*:1] Cc1cccc2CC[C@@H]3C[C@@H](C[*:1])c4cccc(C)c4[C@H]3c12
CCc1ccc(CNC(=O)[C@@H](CC)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)CNC(=O)[C@@H](CC)n1nc(C)c2c(C)n(nc2c1=O)[*:1]
CCc1ccc(CNC(=O)[C@@H](CC)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 CCc1ccc(cc1)[*:1] CC[C@H](C(=O)NC[*:1])n1nc(C)c2c(C)n(nc2c1=O)-c1ccccc1
CCc1ccc(CNC(=O)[C@@H](CC)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)cc1 CCc1ccc(cc1)C[*:1] CC[C@H](C(=O)N[*:1])n1nc(C)c2c(C)n(nc2c1=O)-c1ccccc1
C[C@@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1coc(-c2ccccc2)n1 CC(C)(C)[*:1] C[C@@H](C(=O)N[*:1])[S@@](=O)Cc1coc(n1)-c1ccccc1
C[C@@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1coc(-c2ccccc2)n1 CC(C)(C)NC(=O)[*:1] C[C@@H]([S@@](=O)Cc1coc(n1)-c1ccccc1)[*:1]
C[C@@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC(C)(C)C)[S@@](=O)Cc1coc(n1)[*:1]
Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] Cc1nc2ncccc2c(=O)n1-c1ccc(cc1)NC(=O)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)N[C@@H]2CCC[C@H]2CO)c1 CN(C)C(=O)[*:1] O=C(Nc1cc(ccc1F)[*:1])N[C@@H]1CCC[C@H]1CO
CCOc1ccc(F)c(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1F FC(F)(F)[*:1] CCOc1ccc(F)c(C(=O)N[C@@H](c2ccccc2)[*:1])c1F
CCOc1ccc(F)c(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1F c1ccc(cc1)[*:1] CCOc1ccc(F)c(C(=O)N[C@@H](C(F)(F)F)[*:1])c1F
CCOc1ccc(F)c(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1F CCO[*:1] O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(Cl)c(C(=O)/N=c2\[nH]c3ccccc3n2CC)n1 CCO[*:1] CCn1/c(=N/C(=O)c2nc(ccc2Cl)[*:1])[nH]c2ccccc21
CCOC(=O)c1cc(C#N)c(SCC(=O)Nc2ccc(F)cc2)nc1C CCOC(=O)[*:1] Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)cc1[*:1]
CCOC(=O)c1cc(C#N)c(SCC(=O)Nc2ccc(F)cc2)nc1C Fc1ccc(cc1)[*:1] CCOC(=O)c1cc(C#N)c(nc1C)SCC(=O)N[*:1]
CNS(=O)(=O)c1cc(C(=O)NCCOC)ccc1OC COC[*:1] CNS(=O)(=O)c1cc(ccc1OC)C(=O)NC[*:1]
CNS(=O)(=O)c1cc(C(=O)NCCOC)ccc1OC COCC[*:1] CNS(=O)(=O)c1cc(ccc1OC)C(=O)N[*:1]
CNS(=O)(=O)c1cc(C(=O)NCCOC)ccc1OC CNS(=O)(=O)[*:1] COCCNC(=O)c1ccc(OC)c(c1)[*:1]
C[NH2+][C@H](C)C[C@H](C)S[C@H](C)CCO OCC[*:1] C[NH2+][C@H](C)C[C@H](C)S[C@H](C)[*:1]
C[C@@H]1c2cc(F)ccc2CCN1C(=O)CSc1nnnn1C Cn1nnnc1[*:1] C[C@@H]1c2cc(F)ccc2CCN1C(=O)CS[*:1]
C[C@@H]1c2cc(F)ccc2CCN1C(=O)CSc1nnnn1C Cn1nnnc1S[*:1] C[C@@H]1c2cc(F)ccc2CCN1C(=O)C[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)Cc2cccs2)n1 c1csc(c1)[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)C[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)Cc2cccs2)n1 c1csc(c1)C[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)[*:1])n1
Cc1cc(NC(=O)[C@@H](C)OC(=O)c2c(C)cc(=O)oc2C)on1 Cc1cc(on1)[*:1] Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)N[*:1]
COc1ccc(CNC(=O)C2CCN(c3ncccn3)CC2)cn1 COc1ccc(cn1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1ncccn1
COc1ccc(CNC(=O)C2CCN(c3ncccn3)CC2)cn1 c1cnc(nc1)[*:1] COc1ccc(cn1)CNC(=O)C1CCN(CC1)[*:1]
CN(C)C(=O)NCC(=O)N(C)Cc1cccc(-n2cccn2)c1 CN(C)C(=O)NC[*:1] CN(Cc1cccc(c1)-n1cccn1)C(=O)[*:1]
CN(C)C(=O)NCC(=O)N(C)Cc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] CN(C)C(=O)NCC(=O)N(C)Cc1cccc(c1)[*:1]
CN(C)C(=O)NCC(=O)N(C)Cc1cccc(-n2cccn2)c1 CN(C)C(=O)N[*:1] CN(Cc1cccc(c1)-n1cccn1)C(=O)C[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCCc1csc(C(C)(C)C)n1 CCc1nn(C)cc1[*:1] CC(C)(C)c1nc(cs1)CCNC(=O)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCCc1csc(C(C)(C)C)n1 CC(C)(C)[*:1] CCc1nn(C)cc1NC(=O)C(=O)NCCc1csc(n1)[*:1]
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1ccncc1 c1ccc(cc1)[*:1] C[C@@H](N[C@@H](C[*:1])C(=O)N1CCCCC1)c1ccncc1
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1ccncc1 c1ccc(cc1)C[*:1] C[C@@H](N[C@@H](C(=O)N1CCCCC1)[*:1])c1ccncc1
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)[*:1]
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1ccncc1 O=C(N1CCCCC1)[*:1] C[C@@H](N[C@@H](Cc1ccccc1)[*:1])c1ccncc1
O=C(NCc1cc2c(s1)CCCCC2)N1CC[C@@H](CCO)C1 OCC[*:1] O=C(NCc1cc2CCCCCc2s1)N1CC[C@@H](C1)[*:1]
Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)on1 Cc1cc(on1)[*:1] O=C([C@@H]1CC=CCC1)N1CCC[C@H](C1)c1nnsc1[*:1]
COc1ccccc1N1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2C[C@H]2CCCO2)CC1 Clc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)[C@H](c1nnnn1C[C@H]1CCCO1)[*:1]
COc1ccccc1N1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2C[C@H]2CCCO2)CC1 COc1ccccc1[*:1] Clc1ccc(cc1)[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(CC1)[*:1]
C#CCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc(Cl)ccc21 C#CC[*:1] O=C(/N=c1\sc2cc(Cl)ccc2n1[*:1])c1ccc2OCCOc2c1
O=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@H]1C[C@H]2CCCc3cccc1c32 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N[C@H]1C[C@H]2CCCc3cccc1c32
c1ccc([C@@H]([NH2+]Cc2ccccn2)c2ccccn2)cc1 c1ccc(C[*:1])nc1 c1ccc(cc1)[C@@H]([NH2+][*:1])c1ccccn1
c1ccc([C@@H]([NH2+]Cc2ccccn2)c2ccccn2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)[C@@H]([NH2+]Cc1ccccn1)[*:1]
c1ccc([C@@H]([NH2+]Cc2ccccn2)c2ccccn2)cc1 c1ccc(cc1)[*:1] c1ccc(C[NH2+][C@@H](c2ccccn2)[*:1])nc1
c1ccc([C@@H]([NH2+]Cc2ccccn2)c2ccccn2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)[C@@H]([NH2+]C[*:1])c1ccccn1
C[C@H]1OCC[C@@H]1C(=O)N1CCc2cc(C(C)(C)C)ccc2C1 CC(C)(C)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCc2cc(ccc2C1)[*:1]
Cc1ccc([N+](=O)[O-])c(NC(=O)C[NH+](C)Cc2ccccc2N2CCOCC2)c1C C1CN(CCO1)[*:1] Cc1ccc(c(NC(=O)C[NH+](C)Cc2ccccc2[*:1])c1C)[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NC(=O)C[NH+](C)Cc2ccccc2N2CCOCC2)c1C O=[N+]([O-])[*:1] Cc1ccc(c(NC(=O)C[NH+](C)Cc2ccccc2N2CCOCC2)c1C)[*:1]
CCCN[C@H](c1ccc(SC)cc1)c1[nH+]ccn1C CCC[*:1] CSc1ccc(cc1)[C@@H](N[*:1])c1[nH+]ccn1C
CCCN[C@H](c1ccc(SC)cc1)c1[nH+]ccn1C CCCN[*:1] CSc1ccc(cc1)[C@H](c1[nH+]ccn1C)[*:1]
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1cccc(I)c1 Ic1cccc(c1)[*:1] N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1[*:1]
COc1cccc(F)c1[C@@H](C)NC(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] COc1cccc(F)c1[C@@H](C)NC(=O)c1cnc(s1)[*:1]
O=C(NCCOc1ccccc1)NNc1ccccc1Cl c1ccc(cc1)[*:1] O=C(NCCO[*:1])NNc1ccccc1Cl
O=C(NCCOc1ccccc1)NNc1ccccc1Cl c1ccc(cc1)O[*:1] O=C(NCC[*:1])NNc1ccccc1Cl
O=C(NCCOc1ccccc1)NNc1ccccc1Cl Clc1ccccc1[*:1] O=C(NCCOc1ccccc1)NN[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 CC[C@@H](C)NC(=O)[*:1] C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 Clc1ccccc1O[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)[C@H](C)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)[C@H](C)O[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 CC[C@@H](C)[*:1] C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCCC(=O)Nc1ccccc1NC(=O)CSc1ccccc1 c1ccc(cc1)S[*:1] CCCC(=O)Nc1ccccc1NC(=O)C[*:1]
CCCC(=O)Nc1ccccc1NC(=O)CSc1ccccc1 CCC[*:1] O=C(CSc1ccccc1)Nc1ccccc1NC(=O)[*:1]
CCCC(=O)Nc1ccccc1NC(=O)CSc1ccccc1 c1ccc(cc1)[*:1] CCCC(=O)Nc1ccccc1NC(=O)CS[*:1]
CCCC(=O)Nc1ccccc1NC(=O)CSc1ccccc1 CCCC(=O)N[*:1] O=C(CSc1ccccc1)Nc1ccccc1[*:1]
CCOc1cccc(CO)c1OCC(=O)NC(C)C CC(C)NC(=O)[*:1] CCOc1cccc(CO)c1OC[*:1]
CCOc1cccc(CO)c1OCC(=O)NC(C)C CC(C)[*:1] CCOc1cccc(CO)c1OCC(=O)N[*:1]
CCOc1cccc(CO)c1OCC(=O)NC(C)C CCO[*:1] CC(C)NC(=O)COc1c(cccc1[*:1])CO
Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2SCC#N)cc1 Cc1ccc(cc1)[*:1] CN(c1nc2ccccc2nc1SCC#N)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2SCC#N)cc1 N#CC[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)c1nc2ccccc2nc1S[*:1]
Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2SCC#N)cc1 N#CCS[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)c1nc2ccccc2nc1[*:1]
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)CSCC(F)(F)F)C1 CC(C)NS(=O)(=O)[*:1] O=C(CSCC(F)(F)F)N1CC[C@H](C1)[*:1]
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)CSCC(F)(F)F)C1 FC(F)(F)[*:1] CC(C)NS(=O)(=O)[C@@H]1CCN(C1)C(=O)CSC[*:1]
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)CSCC(F)(F)F)C1 CC(C)[*:1] O=C(CSCC(F)(F)F)N1CC[C@H](C1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)CSCC(F)(F)F)C1 FC(F)(F)C[*:1] CC(C)NS(=O)(=O)[C@@H]1CCN(C1)C(=O)CS[*:1]
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)CSCC(F)(F)F)C1 FC(F)(F)CSC[*:1] CC(C)NS(=O)(=O)[C@@H]1CCN(C1)C(=O)[*:1]
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)CSCC(F)(F)F)C1 FC(F)(F)CS[*:1] CC(C)NS(=O)(=O)[C@@H]1CCN(C1)C(=O)C[*:1]
COc1cc(I)c(Cl)cc1C(=O)N[C@H](C)C(=O)N(C)C CN(C)C(=O)[*:1] COc1cc(I)c(Cl)cc1C(=O)N[C@H](C)[*:1]
Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1S(N)(=O)=O C[C@@H]1CCCC[C@@H]1[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)N[*:1]
Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@H]1CCCC[C@H]1C
CC[C@H](C)N(C)C(=O)COc1ccccc1/C(N)=N/O N/C(=N\O)[*:1] CC[C@H](C)N(C)C(=O)COc1ccccc1[*:1]
CC[C@H](C)N(C)C(=O)COc1ccccc1/C(N)=N/O CC[C@H](C)[*:1] CN(C(=O)COc1ccccc1/C(N)=N/O)[*:1]
CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3cccc(C)c3)c2n1 Cc1cccc(c1)C[*:1] CSc1nc(c2cnn(CCNC(=O)[*:1])c2n1)N1CCOCC1
CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3cccc(C)c3)c2n1 Cc1cccc(c1)[*:1] CSc1nc(c2cnn(CCNC(=O)C[*:1])c2n1)N1CCOCC1
CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3cccc(C)c3)c2n1 C1CN(CCO1)[*:1] CSc1nc(c2cnn(CCNC(=O)Cc3cccc(C)c3)c2n1)[*:1]
O=C(CC1CCC1)N(Cc1ccccn1)c1ccc(Cl)cc1 c1ccc(C[*:1])nc1 O=C(CC1CCC1)N(c1ccc(Cl)cc1)[*:1]
O=C(CC1CCC1)N(Cc1ccccn1)c1ccc(Cl)cc1 C1CC(C1)C[*:1] O=C(N(Cc1ccccn1)c1ccc(Cl)cc1)[*:1]
O=C(CC1CCC1)N(Cc1ccccn1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CC1CCC1)N(Cc1ccccn1)[*:1]
O=C(CC1CCC1)N(Cc1ccccn1)c1ccc(Cl)cc1 c1ccc(nc1)[*:1] O=C(CC1CCC1)N(C[*:1])c1ccc(Cl)cc1
O=C(CC1CCC1)N(Cc1ccccn1)c1ccc(Cl)cc1 C1CC(C1)[*:1] O=C(C[*:1])N(Cc1ccccn1)c1ccc(Cl)cc1
Cc1ccc(NC(=O)CCOc2cccc(C=O)c2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)CCOc1cccc(C=O)c1
Cc1ccc(NC(=O)CCOc2cccc(C=O)c2)cc1C(N)=O O=Cc1cccc(c1)[*:1] Cc1ccc(cc1C(N)=O)NC(=O)CCO[*:1]
O=C([C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCCC[C@@H]1CC[NH+]1CCCC1 Clc1ccc(cc1)[*:1] O=C([C@@H](N1CCOCC1)[*:1])N1CCCC[C@@H]1CC[NH+]1CCCC1
O=C([C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCCC[C@@H]1CC[NH+]1CCCC1 C1CN(CCO1)[*:1] O=C([C@@H](c1ccc(Cl)cc1)[*:1])N1CCCC[C@@H]1CC[NH+]1CCCC1
Cc1cc(N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N(C)[C@@H]1CCN(C1=O)c1ccccc1Cl
Cc1cc(N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)ncc1[N+](=O)[O-] Clc1ccccc1[*:1] Cc1cc(ncc1[N+](=O)[O-])N(C)[C@@H]1CCN(C1=O)[*:1]
CCSc1cncc(NCc2noc(C)n2)n1 CCS[*:1] Cc1nc(CNc2cncc(n2)[*:1])no1
O=C(NCCCC(=O)N1CCCSCC1)C1CC1 O=C(N[*:1])C1CC1 O=C(CCC[*:1])N1CCCSCC1
O=C(NCCCC(=O)N1CCCSCC1)C1CC1 C1CC1[*:1] O=C(CCCNC(=O)[*:1])N1CCCSCC1
COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 COc1cc(cc(c1)[*:1])OC O=C1c2ccccc2C(=O)N1c1ccc(cc1)NC(=S)NC(=O)[*:1]
COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 O=C1c2ccccc2C(=O)N1[*:1] COc1cc(cc(c1)C(=O)NC(=S)Nc1ccc(cc1)[*:1])OC
O=C(CCNC(=O)c1ccsc1)NCc1ccccc1CO c1cc(cs1)[*:1] O=C(CCNC(=O)[*:1])NCc1ccccc1CO
CCn1cc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(=O)OC)c(C)n1 CCn1cc(c(C)n1)[*:1] COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1sc(=C[*:1])c(=O)n12
CCn1cc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(=O)OC)c(C)n1 COC(=O)[*:1] CCn1cc(/C=c2/sc3=N[C@]4(C)Oc5ccccc5[C@@H]([C@H]4[*:1])n3c2=O)c(C)n1
Cc1ncccc1CN1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 Cc1ncccc1[*:1] C[C@H](c1ccc(F)cc1F)[NH+]1CCN(CC1)C[*:1]
Cc1ncccc1CN1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] Cc1ncccc1CN1CC[NH+](CC1)[C@H](C)[*:1]
Cc1ncccc1CN1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 Cc1ncccc1C[*:1] C[C@H](c1ccc(F)cc1F)[NH+]1CCN(CC1)[*:1]
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1cccc(O)c1 Oc1cccc(c1)[*:1] CC(=NNC(=O)Cc1cccc2ccccc12)[*:1]
CC(=O)Nc1cccc(CNC(=O)N[C@H](CO)Cc2ccccc2)c1 CC(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])N[C@H](CO)Cc1ccccc1
CC(=O)Nc1cccc(CNC(=O)N[C@H](CO)Cc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)CNC(=O)N[C@H](CO)C[*:1]
CC(=O)Nc1cccc(CNC(=O)N[C@H](CO)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(=O)Nc1cccc(c1)CNC(=O)N[C@H](CO)[*:1]
CC/C=C(\C)[C@@H](O)[C@H](C)C(N)=O NC(=O)[*:1] CC/C=C(\C)[C@@H](O)[C@H](C)[*:1]
C[C@H](O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O C[C@H](O)C[*:1] O=S1(=O)C[C@@H]([NH2+][*:1])[C@@H](O)C1
C[C@H](O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O C[C@H](O)[*:1] O=S1(=O)C[C@@H]([NH2+]C[*:1])[C@@H](O)C1
COCC[C@H]1CCC[C@@]1([NH3+])C(=O)[O-] COC[*:1] [NH3+][C@]1(CCC[C@@H]1C[*:1])C(=O)[O-]
COCC[C@H]1CCC[C@@]1([NH3+])C(=O)[O-] COCC[*:1] [NH3+][C@]1(CCC[C@@H]1[*:1])C(=O)[O-]
COCC[C@H]1CCC[C@@]1([NH3+])C(=O)[O-] O=C([O-])[*:1] COCC[C@H]1CCC[C@]1([NH3+])[*:1]
CCCc1ccc(NC(=O)CN2CCN(c3cc(Cl)ncn3)CC2)cc1 Clc1cc(ncn1)[*:1] CCCc1ccc(cc1)NC(=O)CN1CCN(CC1)[*:1]
CCCc1ccc(NC(=O)CN2CCN(c3cc(Cl)ncn3)CC2)cc1 CCC[*:1] O=C(CN1CCN(CC1)c1cc(Cl)ncn1)Nc1ccc(cc1)[*:1]
Fc1ccc(-c2cc(-c3nnc4sc(COc5ccccc5)nn34)[nH]n2)cc1 c1ccc(cc1)OC[*:1] Fc1ccc(cc1)-c1cc([nH]n1)-c1nnc2sc(nn12)[*:1]
Fc1ccc(-c2cc(-c3nnc4sc(COc5ccccc5)nn34)[nH]n2)cc1 c1ccc(cc1)O[*:1] Fc1ccc(cc1)-c1cc([nH]n1)-c1nnc2sc(C[*:1])nn12
Fc1ccc(-c2cc(-c3nnc4sc(COc5ccccc5)nn34)[nH]n2)cc1 Fc1ccc(cc1)[*:1] c1ccc(cc1)OCc1nn2c(nnc2s1)-c1cc(n[nH]1)[*:1]
Fc1ccc(-c2cc(-c3nnc4sc(COc5ccccc5)nn34)[nH]n2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)-c1cc([nH]n1)-c1nnc2sc(CO[*:1])nn12
CCCn1ccc2ccc(NC(=O)C(=O)N3CCC(C(=O)NC)CC3)cc21 CNC(=O)[*:1] CCCn1ccc2ccc(cc21)NC(=O)C(=O)N1CCC(CC1)[*:1]
CCCn1ccc2ccc(NC(=O)C(=O)N3CCC(C(=O)NC)CC3)cc21 CCC[*:1] CNC(=O)C1CCN(CC1)C(=O)C(=O)Nc1ccc2ccn(c2c1)[*:1]
Cc1cncc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)c1 CC(C)(C)[*:1] Cc1cncc(c1)C(=O)Nc1ccc(nc1)NC(=O)O[*:1]
Cc1cncc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)c1 CC(C)(C)OC(=O)N[*:1] Cc1cncc(c1)C(=O)Nc1ccc(nc1)[*:1]
Cc1cncc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)c1 Cc1cncc(c1)[*:1] CC(C)(C)OC(=O)Nc1ccc(cn1)NC(=O)[*:1]
CCOC(=O)c1sc(Nc2nc3ccccc3nc2Cl)c(C#N)c1C CCOC(=O)[*:1] Cc1c(sc(Nc2nc3ccccc3nc2Cl)c1C#N)[*:1]
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)[*:1]
COc1ccc(CC(=O)N(C[C@H]2C=c3cc(OC)ccc3=[NH+]C2=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] COc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C(=O)C[*:1])c1ccccc1
COc1ccc(CC(=O)N(C[C@H]2C=c3cc(OC)ccc3=[NH+]C2=O)c2ccccc2)cc1 COc1ccc(cc1)C[*:1] COc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C(=O)[*:1])c1ccccc1
COc1ccc(CC(=O)N(C[C@H]2C=c3cc(OC)ccc3=[NH+]C2=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N(C[C@H]1C=c2cc(ccc2=[NH+]C1=O)OC)[*:1]
COC(=O)c1cc(Br)ccc1NCCOc1ccccc1 COC(=O)[*:1] Brc1ccc(NCCOc2ccccc2)c(c1)[*:1]
COC(=O)c1cc(Br)ccc1NCCOc1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1cc(Br)ccc1NCCO[*:1]
COC(=O)c1cc(Br)ccc1NCCOc1ccccc1 c1ccc(cc1)O[*:1] COC(=O)c1cc(Br)ccc1NCC[*:1]
O=C(NCc1cccnc1OC1CCCC1)N[C@@H]1CC(=O)N(C2CC2)C1 C1CCC(C1)O[*:1] O=C(NCc1cccnc1[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
O=C(NCc1cccnc1OC1CCCC1)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(NCc1cccnc1OC1CCCC1)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCc1cccnc1OC1CCCC1)N[C@@H]1CC(=O)N(C2CC2)C1 C1CCC(C1)[*:1] O=C(NCc1cccnc1O[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
NC(=O)[C@H](Sc1ncccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](Sc1ncccc1Cl)[*:1]
NC(=O)[C@H](Sc1ncccc1Cl)c1ccccc1 NC(=O)[*:1] Clc1cccnc1S[C@H](c1ccccc1)[*:1]
O=C(c1cccc(NS(=O)(=O)N2CCCCC2)c1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(Nc1cccc(c1)[*:1])N1CCCCC1
Br[C@H]1c2ccccc2CC[C@@H]1Cc1nccs1 c1csc(n1)[*:1] Br[C@H]1c2ccccc2CC[C@@H]1C[*:1]
O=C([O-])c1ccc(Nc2ccnc(Cl)n2)cc1 O=C([O-])[*:1] Clc1nccc(n1)Nc1ccc(cc1)[*:1]
O=[N+]([O-])c1cnn(CCc2nc3c4ccccc4ncn3n2)c1 O=[N+]([O-])[*:1] c1ccc2c(c1)ncn1nc(CCn3cc(cn3)[*:1])nc21
CCCCCC(=O)N[C@H]1CCSc2ccc(F)cc21 CCCC[*:1] O=C(C[*:1])N[C@H]1CCSc2ccc(F)cc21
CCCCCC(=O)N[C@H]1CCSc2ccc(F)cc21 CCC[*:1] O=C(CC[*:1])N[C@H]1CCSc2ccc(F)cc21
CCCCCC(=O)N[C@H]1CCSc2ccc(F)cc21 CCCCC[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1cc(C)ccc1Cl CCc1ccccc1[*:1] Cc1ccc(Cl)c(c1)O[C@H](C)C(=O)N(C)CC(=O)N[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1cc(C)ccc1Cl Cc1ccc(Cl)c(c1)[*:1] CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)O[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Oc1cc(C)ccc1Cl Cc1ccc(Cl)c(c1)O[*:1] CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[*:1]
CCN[C@]1(C#N)CCC[C@H](S[C@@H]2CCC[C@H](C)C2)C1 CCN[*:1] C[C@H]1CCC[C@H](C1)S[C@H]1CCC[C@@](C#N)(C1)[*:1]
[NH2+]=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCCCCC1 O=[N+]([O-])[*:1] [NH2+]=C(c1cc(I)cc(c1)[*:1])N1CCCCCC1
CCCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c(C)c1 CCCO[*:1] Cc1cc(ccc1NC(=O)[C@H]1CCCN(C1)C(=O)c1cccc2ccccc12)[*:1]
CCCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c(C)c1 c1ccc2c(cccc2c1)[*:1] CCCOc1ccc(NC(=O)[C@H]2CCCN(C2)C(=O)[*:1])c(C)c1
CCCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c(C)c1 CCC[*:1] Cc1cc(ccc1NC(=O)[C@H]1CCCN(C1)C(=O)c1cccc2ccccc12)O[*:1]
CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 CC(C)[*:1] Cn1nc(c(C(=O)N[C@@H]2CC[C@@H](C2)[NH+](C)C)c1Cl)[*:1]
O=[N+]([O-])c1ccc2sc(OC3CC[NH2+]CC3)nc2c1 O=[N+]([O-])[*:1] c1cc2sc(nc2cc1[*:1])OC1CC[NH2+]CC1
Cn1c(NN)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C Fc1ccc(cc1)[*:1] Cn1c(nc2c1c(=O)n(C[*:1])c(=O)n2C)NN
[NH3+]CC1CCC(c2nnc(-c3cccs3)o2)CC1 c1csc(c1)[*:1] [NH3+]CC1CCC(CC1)c1nnc(o1)[*:1]
CC(C)C[C@H](C)[NH2+][C@H](C)C1CC1 C1CC1[*:1] CC(C)C[C@H](C)[NH2+][C@H](C)[*:1]
CC(C)C[C@H](C)[NH2+][C@H](C)C1CC1 CC(C)[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)C1CC1
CC(C)C[C@H](C)[NH2+][C@H](C)C1CC1 CC(C)C[*:1] C[C@H]([NH2+][C@H](C)C1CC1)[*:1]
COC[C@H](O)CN1CCC([NH3+])CC1 COC[*:1] [NH3+]C1CCN(CC1)C[C@@H](O)[*:1]
CN(c1cc(C(F)(F)F)nc(-c2ccccn2)n1)C1CCOCC1 C1CC(CCO1)[*:1] CN(c1cc(nc(n1)-c1ccccn1)C(F)(F)F)[*:1]
CN(c1cc(C(F)(F)F)nc(-c2ccccn2)n1)C1CCOCC1 FC(F)(F)[*:1] CN(c1cc(nc(n1)-c1ccccn1)[*:1])C1CCOCC1
CN(c1cc(C(F)(F)F)nc(-c2ccccn2)n1)C1CCOCC1 c1ccc(nc1)[*:1] CN(c1cc(nc(n1)[*:1])C(F)(F)F)C1CCOCC1
CN(c1cc(C(F)(F)F)nc(-c2ccccn2)n1)C1CCOCC1 CN(C1CCOCC1)[*:1] FC(F)(F)c1cc(nc(n1)-c1ccccn1)[*:1]
COc1ccc(CN2CCc3ccc(S(N)(=O)=O)cc32)cc1F NS(=O)(=O)[*:1] COc1ccc(cc1F)CN1CCc2ccc(cc21)[*:1]
CC(C)(C)OC(=O)N1CC[C@H]1C=O CC(C)(C)[*:1] O=C[C@@H]1CCN1C(=O)O[*:1]
O=C(CC1(C(=O)[O-])CCCCCCCCCCC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C([O-])C1(CCCCCCCCCCC1)C[*:1]
O=C(CC1(C(=O)[O-])CCCCCCCCCCC1)N1CCOCC1 O=C([O-])[*:1] O=C(CC1(CCCCCCCCCCC1)[*:1])N1CCOCC1
Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCSc2c(F)cccc21 Cc1noc(C)c1[*:1] C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)[*:1]
COCc1nn2c(c1-c1ccc(OC)cc1)NC(=O)[C@H]2CC(=O)Nc1ccc(Cl)c(Cl)c1 COc1ccc(cc1)[*:1] COCc1nn2c(NC(=O)[C@H]2CC(=O)Nc2ccc(Cl)c(Cl)c2)c1[*:1]
COCc1nn2c(c1-c1ccc(OC)cc1)NC(=O)[C@H]2CC(=O)Nc1ccc(Cl)c(Cl)c1 COC[*:1] COc1ccc(cc1)-c1c(nn2c1NC(=O)[C@H]2CC(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
COCc1nn2c(c1-c1ccc(OC)cc1)NC(=O)[C@H]2CC(=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] COCc1nn2c(NC(=O)[C@H]2CC(=O)N[*:1])c1-c1ccc(cc1)OC
C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1nncn1C C[C@H](c1nncn1C)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCC1)N[*:1]
C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1nncn1C C1CCN(CC1)[*:1] C[C@H](NC(=O)NCc1cc[nH+]c(c1)[*:1])c1nncn1C
C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)NCc1cc[nH+]c(c1)N1CCCCC1)[*:1]
O=C(COCCc1ccccc1)Nc1nc(-c2ccco2)cs1 c1ccc(cc1)C[*:1] O=C(COC[*:1])Nc1nc(cs1)-c1ccco1
O=C(COCCc1ccccc1)Nc1nc(-c2ccco2)cs1 c1ccc(cc1)[*:1] O=C(COCC[*:1])Nc1nc(cs1)-c1ccco1
O=C(COCCc1ccccc1)Nc1nc(-c2ccco2)cs1 c1coc(c1)[*:1] O=C(COCCc1ccccc1)Nc1nc(cs1)[*:1]
CC(C)CCCC(=O)C(C)(C)C CC(C)(C)[*:1] CC(C)CCCC(=O)[*:1]
CC(C)CCCC(=O)C(C)(C)C CC(C)C[*:1] CC(C)(C)C(=O)CC[*:1]
CC(C)CCCC(=O)C(C)(C)C CC(C)[*:1] CC(C)(C)C(=O)CCC[*:1]
CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2)cc(Cl)c1O CCO[*:1] N#C/C(=C\c1cc(Cl)c(O)c(c1)[*:1])C(=O)c1ccccc1
CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2)cc(Cl)c1O c1ccc(cc1)[*:1] CCOc1cc(/C=C(\C#N)C(=O)[*:1])cc(Cl)c1O
O=C(NCc1cccc(N2CCOC2=O)c1)C1CCCCC1 O=C1OCCN1[*:1] O=C(NCc1cccc(c1)[*:1])C1CCCCC1
O=C(NCc1cccc(N2CCOC2=O)c1)C1CCCCC1 C1CCC(CC1)[*:1] O=C1OCCN1c1cccc(c1)CNC(=O)[*:1]
CC1=C[C@H](c2ccccc2)N2N=C(/N=C(\[O-])C(Cl)(Cl)Cl)NC2=N1 ClC(Cl)(Cl)[*:1] CC1=C[C@H](c2ccccc2)N2N=C(/N=C(\[O-])[*:1])NC2=N1
CC1=C[C@H](c2ccccc2)N2N=C(/N=C(\[O-])C(Cl)(Cl)Cl)NC2=N1 c1ccc(cc1)[*:1] CC1=C[C@H](N2N=C(/N=C(\[O-])C(Cl)(Cl)Cl)NC2=N1)[*:1]
O=C(CSc1nnc2ccccn12)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 c1ccn2c(nnc2c1)S[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1
O=C(CSc1nnc2ccccn12)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 c1ccn2c(nnc2c1)[*:1] O=C(CS[*:1])N1CCN(CC1)C(=O)[C@H]1COc2ccccc2O1
Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C#N)n(CC(C)C)c1C CC(C)C[*:1] Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C#N)n(c1C)[*:1]
Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C#N)n(CC(C)C)c1C CC(C)[*:1] Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C#N)n(C[*:1])c1C
C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H](O)COc1ccc(F)cc1 Fc1ccc(cc1)OC[*:1] C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H](O)[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H](O)COc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H](O)C[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H](O)COc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H](O)CO[*:1]
COCc1nc2cc(NC(=O)C[NH2+]CC(F)(F)F)ccc2o1 COC[*:1] O=C(C[NH2+]CC(F)(F)F)Nc1ccc2oc(nc2c1)[*:1]
COCc1nc2cc(NC(=O)C[NH2+]CC(F)(F)F)ccc2o1 FC(F)(F)[*:1] COCc1nc2cc(ccc2o1)NC(=O)C[NH2+]C[*:1]
COc1ccc2[nH]cc(C(=O)NCc3ccc(F)cc3)c(=O)c2c1 Fc1ccc(cc1)[*:1] COc1ccc2[nH]cc(C(=O)NC[*:1])c(=O)c2c1
COc1ccc2[nH]cc(C(=O)NCc3ccc(F)cc3)c(=O)c2c1 Fc1ccc(cc1)C[*:1] COc1ccc2[nH]cc(C(=O)N[*:1])c(=O)c2c1
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)cc1Cl c1cc2OCOc2cc1[*:1] COc1ccc(cc1Cl)S(=O)(=O)NC[C@@H]([NH+](C)C)[*:1]
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)cc1Cl COc1ccc(cc1Cl)[*:1] C[NH+](C)[C@@H](CNS(=O)(=O)[*:1])c1ccc2OCOc2c1
Cc1occc1-c1nnc(S[C@@H](C(N)=O)c2ccc(F)cc2)n1C Fc1ccc(cc1)[*:1] Cc1occc1-c1nnc(S[C@@H](C(N)=O)[*:1])n1C
Cc1occc1-c1nnc(S[C@@H](C(N)=O)c2ccc(F)cc2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])S[C@@H](C(N)=O)c1ccc(F)cc1
Cc1occc1-c1nnc(S[C@@H](C(N)=O)c2ccc(F)cc2)n1C NC(=O)[*:1] Cc1occc1-c1nnc(S[C@@H](c2ccc(F)cc2)[*:1])n1C
CCOc1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 CCO[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)CN1C(=O)CCC1=O
CCOc1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1C[*:1] CCOc1ccccc1NC(=O)c1ccc(cc1)[*:1]
CCOc1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] CCOc1ccccc1NC(=O)c1ccc(cc1)C[*:1]
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)n1 CC(C)[*:1] N#Cc1cn(nc1[N-]S(=O)(=O)c1cccc(c1)C(=O)NCC(F)(F)F)[*:1]
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)n1 FC(F)(F)C[*:1] CC(C)n1cc(C#N)c(n1)[N-]S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)n1 O=C(NCC(F)(F)F)[*:1] CC(C)n1cc(C#N)c(n1)[N-]S(=O)(=O)c1cccc(c1)[*:1]
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)n1 FC(F)(F)[*:1] CC(C)n1cc(C#N)c(n1)[N-]S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
CNC(=O)c1cccc(-c2noc(C3CN(C(=O)Nc4cccc(C(F)(F)F)c4)C3)n2)c1 FC(F)(F)c1cccc(c1)[*:1] CNC(=O)c1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)N[*:1]
CNC(=O)c1cccc(-c2noc(C3CN(C(=O)Nc4cccc(C(F)(F)F)c4)C3)n2)c1 FC(F)(F)[*:1] CNC(=O)c1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)Nc1cccc(c1)[*:1]
CNC(=O)c1cccc(-c2noc(C3CN(C(=O)Nc4cccc(C(F)(F)F)c4)C3)n2)c1 CNC(=O)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N1CC(C1)c1nc(no1)-c1cccc(c1)[*:1]
CNC(=O)c1cccc(-c2noc(C3CN(C(=O)Nc4cccc(C(F)(F)F)c4)C3)n2)c1 CNC(=O)c1cccc(c1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N1CC(C1)c1nc(no1)[*:1]
CCOc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 O=[N+]([O-])[*:1] CCOc1ccc(/C=C2/N=C(OC2=O)c2cc(ccc2Cl)[*:1])cc1
CCOc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 CCO[*:1] O=C1OC(=N/C1=C/c1ccc(cc1)[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
Cc1csc(S[C@@H]2CCC[C@@](C#N)(NC3CC3)C2)n1 C1CC1N[*:1] Cc1csc(n1)S[C@@H]1CCC[C@@](C#N)(C1)[*:1]
Cc1csc(S[C@@H]2CCC[C@@](C#N)(NC3CC3)C2)n1 C1CC1[*:1] Cc1csc(n1)S[C@@H]1CCC[C@](C#N)(C1)N[*:1]
Cc1csc(S[C@@H]2CCC[C@@](C#N)(NC3CC3)C2)n1 Cc1csc(n1)[*:1] N#C[C@]1(CCC[C@H](C1)S[*:1])NC1CC1
C[C@H](C(=O)N(C)C1CCCC1)n1c(=O)oc2ccccc21 C1CCC(C1)[*:1] C[C@H](C(=O)N(C)[*:1])n1c(=O)oc2ccccc21
O=C(c1cn(C[C@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)nn1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(c1cc2ccccc2oc1=O)N1CCC[C@@H](C1)Cn1cc(nn1)[*:1]
COCc1nc2n(n1)[C@H](c1ccc3c(c1)OCCCO3)C1=C(C[C@H](C)CC1=O)N2 COC[*:1] C[C@@H]1CC(=O)C2=C(C1)Nc1nc(nn1[C@@H]2c1ccc2OCCCOc2c1)[*:1]
CC1=NNC(=S)Nc2c1c(=O)n(-c1ccccc1)c1ccccc21 c1ccc(cc1)[*:1] CC1=NNC(=S)Nc2c1c(=O)n(c1ccccc21)[*:1]
CCNC(=O)N1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 c1ccc(cc1)[*:1] CCNC(=O)N1CCN(CC1)[C@@H](C)c1nnc(o1)[*:1]
C[NH+](Cc1ccc(Sc2ncccn2)o1)Cc1[nH]nc2c1CCCC2 c1cnc(nc1)[*:1] C[NH+](Cc1ccc(o1)S[*:1])Cc1[nH]nc2CCCCc21
C[NH+](Cc1ccc(Sc2ncccn2)o1)Cc1[nH]nc2c1CCCC2 c1cnc(nc1)S[*:1] C[NH+](Cc1ccc(o1)[*:1])Cc1[nH]nc2CCCCc21
COCC[C@@H](C)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1 COC[*:1] C[C@H](C[*:1])C(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1
COCC[C@@H](C)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1 COCC[C@@H](C)[*:1] CS(=O)(=O)[N-]c1ccc(cc1Cl)NC(=O)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1 COCC[*:1] C[C@@H](C(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1)[*:1]
COc1ccc(-n2ccn3c(SCc4cccc(C)c4)nnc3c2=O)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)-n1ccn2c(nnc2c1=O)SC[*:1]
COc1ccc(-n2ccn3c(SCc4cccc(C)c4)nnc3c2=O)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)CSc1nnc2c(=O)n(ccn12)[*:1]
COc1ccc(-n2ccn3c(SCc4cccc(C)c4)nnc3c2=O)cc1 Cc1cccc(c1)CS[*:1] COc1ccc(cc1)-n1ccn2c(nnc2c1=O)[*:1]
COc1ccc(-n2ccn3c(SCc4cccc(C)c4)nnc3c2=O)cc1 Cc1cccc(c1)C[*:1] COc1ccc(cc1)-n1ccn2c(nnc2c1=O)S[*:1]
CCc1ccc(C(=O)NC[C@H](OC)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)C(=O)NC[C@H](OC)[*:1]
CCOC(=O)C1(C)CC[NH+](Cn2nc(C)n(CC)c2=S)CC1 CCOC(=O)[*:1] CCn1c(C)nn(C[NH+]2CCC(C)(CC2)[*:1])c1=S
COc1ccc(OC)c(-c2csc3nnc(SCC(=O)N4CCCCC4)n23)c1 O=C(N1CCCCC1)[*:1] COc1ccc(OC)c(c1)-c1csc2nnc(SC[*:1])n12
COc1ccc(OC)c(-c2csc3nnc(SCC(=O)N4CCCCC4)n23)c1 O=C(C[*:1])N1CCCCC1 COc1ccc(OC)c(c1)-c1csc2nnc(S[*:1])n12
CCOC(=O)c1cc(C[NH2+]CC(=O)[O-])c(C)o1 CCOC(=O)[*:1] Cc1oc(cc1C[NH2+]CC(=O)[O-])[*:1]
CCOC(=O)c1cc(C[NH2+]CC(=O)[O-])c(C)o1 O=C([O-])[*:1] CCOC(=O)c1cc(C[NH2+]C[*:1])c(C)o1
C[C@@H]1CCO[C@@H]1C(=O)Nc1ccnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H]1CCO[C@@H]1C(=O)Nc1ccnc(n1)[*:1]
CC(C)C[C@@H](C)NS(=O)(=O)c1ccc(Cl)nc1 CC(C)[*:1] C[C@H](C[*:1])NS(=O)(=O)c1ccc(Cl)nc1
CC(C)C[C@@H](C)NS(=O)(=O)c1ccc(Cl)nc1 CC(C)C[*:1] C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)[*:1]
CNC(=O)Cn1ccc(C(F)(F)F)n1 FC(F)(F)[*:1] CNC(=O)Cn1ccc(n1)[*:1]
CNC(=O)Cn1ccc(C(F)(F)F)n1 CNC(=O)[*:1] FC(F)(F)c1ccn(C[*:1])n1
CC(C)CNC(=O)Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1nn(-c2ccccc2)c(=O)c2ncccc12)NC[*:1]
CC(C)CNC(=O)Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)cc1 CC(C)CNC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1nn(-c2ccccc2)c(=O)c2ncccc12
CC(C)CNC(=O)Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)cc1 c1ccc(cc1)[*:1] CC(C)CNC(=O)Cc1ccc(cc1)NC(=O)c1nn(c(=O)c2ncccc12)[*:1]
CC(C)CNC(=O)Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)cc1 CC(C)CNC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1nn(-c2ccccc2)c(=O)c2ncccc12
CC(C)CNC(=O)Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ncccc23)cc1 CC(C)C[*:1] O=C(Cc1ccc(cc1)NC(=O)c1nn(-c2ccccc2)c(=O)c2ncccc12)N[*:1]
CN(C)C(=O)CN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc23)CC1 CN(C)C(=O)[*:1] O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc12)[NH+]1CCN(CC1)C[*:1]
CN(C)C(=O)CN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc23)CC1 CN(C)C(=O)C[*:1] O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc12)[NH+]1CCN(CC1)[*:1]
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1cc(ccc1[O-])[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(NC(=O)c2ccccc2)cc1 O=C(N[*:1])c1ccccc1 O=C(N/N=C/c1cc(ccc1[O-])[N+](=O)[O-])c1ccc(cc1)[*:1]
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(NC(=O)c2ccccc2)cc1 O=[N+]([O-])[*:1] O=C(N/N=C/c1cc(ccc1[O-])[*:1])c1ccc(cc1)NC(=O)c1ccccc1
Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Cl)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)/C=C/c2ccc(cc2)[*:1])c(Cl)c1
CCCCC[C@H](C)CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 CCCCC[C@H](C)[*:1] NC(=O)[C@@H]1CCN(C(=O)C[*:1])c2ccccc21
CCCCC[C@H](C)CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 CCCCC[*:1] C[C@H](CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21)[*:1]
CCCCC[C@H](C)CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 CCC[*:1] C[C@@H](CC[*:1])CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21
CCCCC[C@H](C)CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 NC(=O)[*:1] CCCCC[C@H](C)CC(=O)N1CC[C@@H](c2ccccc21)[*:1]
CCCCC[C@H](C)CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 CCCC[*:1] C[C@H](CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21)C[*:1]
COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 Brc1cccc(c1)[*:1] COC(=O)CN(S(=O)(=O)c1ccc(C)cc1)[*:1]
COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)[*:1]
COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1cccc(Br)c1
COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 COC(=O)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1cccc(Br)c1)[*:1]
CCCN(Cc1ccccc1)C(=O)NCc1ccccc1-n1ccnc1 c1ccc(cc1)C[*:1] CCCN(C(=O)NCc1ccccc1-n1ccnc1)[*:1]
CCCN(Cc1ccccc1)C(=O)NCc1ccccc1-n1ccnc1 c1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)NCc1ccccc1-n1ccnc1
CCCN(Cc1ccccc1)C(=O)NCc1ccccc1-n1ccnc1 CCC[*:1] O=C(NCc1ccccc1-n1ccnc1)N(Cc1ccccc1)[*:1]
CCCN(Cc1ccccc1)C(=O)NCc1ccccc1-n1ccnc1 c1cn(cn1)[*:1] CCCN(Cc1ccccc1)C(=O)NCc1ccccc1[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(COC(C)C)c1 CC(C)OC[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(COC(C)C)c1 CC(C)O[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1)C[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(COC(C)C)c1 CC(C)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1)CO[*:1]
Cc1ccc(Nc2cc(C)n3c(=O)n(Cc4ccc(F)cc4)nc3n2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)Nc1cc(C)n2c(=O)n(nc2n1)[*:1]
Cc1ccc(Nc2cc(C)n3c(=O)n(Cc4ccc(F)cc4)nc3n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(nc2nn(Cc3ccc(F)cc3)c(=O)n12)N[*:1]
Cc1ccc(Nc2cc(C)n3c(=O)n(Cc4ccc(F)cc4)nc3n2)cc1 Cc1ccc(cc1)N[*:1] Cc1cc(nc2nn(Cc3ccc(F)cc3)c(=O)n12)[*:1]
Cc1ccc(Nc2cc(C)n3c(=O)n(Cc4ccc(F)cc4)nc3n2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)Nc1cc(C)n2c(=O)n(C[*:1])nc2n1
C[C@@H](C(=O)NCc1ccc(F)cc1)n1nnc(-c2cccc(C(F)(F)F)c2)n1 Fc1ccc(cc1)C[*:1] C[C@@H](C(=O)N[*:1])n1nnc(n1)-c1cccc(c1)C(F)(F)F
C[C@@H](C(=O)NCc1ccc(F)cc1)n1nnc(-c2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] C[C@@H](C(=O)NCc1ccc(F)cc1)n1nnc(n1)-c1cccc(c1)[*:1]
C[C@@H](C(=O)NCc1ccc(F)cc1)n1nnc(-c2cccc(C(F)(F)F)c2)n1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])n1nnc(n1)-c1cccc(c1)C(F)(F)F
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 c1ccc(cc1)CN[*:1] COc1ccc(Cl)cc1C(=O)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 COc1ccc(Cl)cc1[*:1] O=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-])[*:1]
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 O=[N+]([O-])[*:1] COc1ccc(Cl)cc1C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[*:1]
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 c1ccc(cc1)C[*:1] COc1ccc(Cl)cc1C(=O)N1CCN(CC1)c1ccc(c(c1)N[*:1])[N+](=O)[O-]
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1C(=O)N1CCN(CC1)c1ccc(c(c1)NC[*:1])[N+](=O)[O-]
COCCOc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 COC[*:1] c1cc(ccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1)OC[*:1]
COCCOc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 COCC[*:1] c1cc(ccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1)O[*:1]
COCCOc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 COCCO[*:1] c1cc(ccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1)[*:1]
CCOc1ccc(-c2nnc(NCc3ccccc3)s2)cc1 CCO[*:1] c1ccc(cc1)CNc1nnc(s1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nnc(NCc3ccccc3)s2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1nnc(NC[*:1])s1
CCOc1ccc(-c2nnc(NCc3ccccc3)s2)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)-c1nnc(N[*:1])s1
Cc1nc(C)c([C@@H](C)NC(=O)c2cccc(C[S@@](C)=O)c2)s1 C[S@@](=O)C[*:1] Cc1nc(C)c(s1)[C@@H](C)NC(=O)c1cccc(c1)[*:1]
Cc1nc(C)c([C@@H](C)NC(=O)c2cccc(C[S@@](C)=O)c2)s1 Cc1nc(C)c(s1)[*:1] C[C@@H](NC(=O)c1cccc(c1)C[S@@](C)=O)[*:1]
Cc1nc(C)c([C@@H](C)NC(=O)c2cccc(C[S@@](C)=O)c2)s1 C[S@@](=O)[*:1] Cc1nc(C)c(s1)[C@@H](C)NC(=O)c1cccc(c1)C[*:1]
CN(Cc1ccc(O)cc1)C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 Oc1ccc(cc1)[*:1] CN(C[*:1])C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1
Cc1ccc(C)c(CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c1 Brc1cccc(c1)[*:1] Cc1ccc(C)c(c1)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1ccc(C)c(CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1cccc(Br)c1
Cn1c(COc2ccc(Cl)cc2)nnc1SCCN1CCOCC1 C1CN(CCO1)CC[*:1] Cn1c(COc2ccc(Cl)cc2)nnc1S[*:1]
Cn1c(COc2ccc(Cl)cc2)nnc1SCCN1CCOCC1 Clc1ccc(cc1)[*:1] Cn1c(CO[*:1])nnc1SCCN1CCOCC1
Cn1c(COc2ccc(Cl)cc2)nnc1SCCN1CCOCC1 Clc1ccc(cc1)O[*:1] Cn1c(C[*:1])nnc1SCCN1CCOCC1
Cn1c(COc2ccc(Cl)cc2)nnc1SCCN1CCOCC1 C1CN(CCO1)C[*:1] Cn1c(COc2ccc(Cl)cc2)nnc1SC[*:1]
Cn1c(COc2ccc(Cl)cc2)nnc1SCCN1CCOCC1 C1CN(CCO1)[*:1] Cn1c(COc2ccc(Cl)cc2)nnc1SCC[*:1]
Cc1[nH]c(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1C(=O)N1CCCC1 c1ccc2[nH]c(nc2c1)[*:1] Cc1[nH]c(C)c(c1C(=O)N1CCCC1)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1[nH]c(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1[nH]c(C)c(c1S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1)[*:1]
O=C(CNc1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(CNc1cccc(c1)[N+](=O)[O-])Nc1cccc(c1)NC(=O)[*:1]
O=C(CNc1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2ccccc2)c1 O=[N+]([O-])[*:1] O=C(CNc1cccc(c1)[*:1])Nc1cccc(c1)NC(=O)c1ccccc1
O=C(CNc1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2ccccc2)c1 O=C(N[*:1])c1ccccc1 O=C(CNc1cccc(c1)[N+](=O)[O-])Nc1cccc(c1)[*:1]
O=C(CNc1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2ccccc2)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(CN[*:1])Nc1cccc(c1)NC(=O)c1ccccc1
N#C[C@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccn1 Clc1cccc(c1)[*:1] N#C[C@H](C(=O)c1csc(n1)[*:1])c1ccccn1
N#C[C@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@H](C(=O)c1csc(n1)-c1cccc(Cl)c1)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)c(C)o1 O=C(c1ccccc1)[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)CC[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)CCC(=O)[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(CCC(=O)N1CCN(CC1)C(=O)[*:1])c1ccccc1
Cc1cc(C(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)c(C)o1 O=C(C[*:1])c1ccccc1 Cc1cc(C(=O)N2CCN(CC2)C(=O)C[*:1])c(C)o1
CNc1nc(CN2CCN(c3ccccc3-c3ccccc3)C(=O)C2)cs1 CNc1nc(cs1)C[*:1] O=C1CN(CCN1c1ccccc1-c1ccccc1)[*:1]
CNc1nc(CN2CCN(c3ccccc3-c3ccccc3)C(=O)C2)cs1 c1ccc(cc1)[*:1] CNc1nc(cs1)CN1CCN(C(=O)C1)c1ccccc1[*:1]
CNc1nc(CN2CCN(c3ccccc3-c3ccccc3)C(=O)C2)cs1 CNc1nc(cs1)[*:1] O=C1CN(CCN1c1ccccc1-c1ccccc1)C[*:1]
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCc1ccc(s1)S(=O)(=O)N1CCCCC1)[*:1]
CC1(NC(=O)NCCCc2ccc(O)cc2)Cc2ccccc2C1 Oc1ccc(cc1)C[*:1] CC1(Cc2ccccc2C1)NC(=O)NCC[*:1]
CC1(NC(=O)NCCCc2ccc(O)cc2)Cc2ccccc2C1 Oc1ccc(cc1)[*:1] CC1(Cc2ccccc2C1)NC(=O)NCCC[*:1]
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)SC1=N[*:1]
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(F)cc1 C=CC[*:1] O=C(C[C@H]1S/C(=N\c2ccc(F)cc2)N(C1=O)[*:1])Nc1ccc(Cl)cc1
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(F)cc1 Clc1ccc(cc1)[*:1] C=CCN1C(=O)[C@@H](CC(=O)N[*:1])S/C1=N\c1ccc(F)cc1
O=C(Nc1cccc(NC(=O)C2CC2)c1)C(=O)N[C@H]1CC=CCC1 O=C(N[*:1])C1CC1 O=C(Nc1cccc(c1)[*:1])C(=O)N[C@H]1CC=CCC1
O=C(Nc1cccc(NC(=O)C2CC2)c1)C(=O)N[C@H]1CC=CCC1 C1CC1[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])C(=O)N[C@H]1CC=CCC1
CCn1ncc(NC(=O)Cn2ccnc2-c2ccccc2)n1 CCn1ncc(n1)[*:1] O=C(Cn1ccnc1-c1ccccc1)N[*:1]
CCn1ncc(NC(=O)Cn2ccnc2-c2ccccc2)n1 c1ccc(cc1)[*:1] CCn1ncc(n1)NC(=O)Cn1ccnc1[*:1]
CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(F)cc2)c1 CCO[*:1] CCOc1ccc(c(c1)NS(=O)(=O)c1ccc(F)cc1)[*:1]
CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CCOc1ccc(OCC)c(c1)NS(=O)(=O)[*:1]
CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(F)cc2)c1 CCO[*:1] CCOc1ccc(cc1NS(=O)(=O)c1ccc(F)cc1)[*:1]
CCC[N+]1(CCC)Cc2cc3ccccc3cc2C1 CCC[*:1] CCC[N+]1(Cc2cc3ccccc3cc2C1)[*:1]
Cc1nc(CN2CCN(C(=O)CCCO)CC2)cs1 Cc1nc(cs1)[*:1] O=C(CCCO)N1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(C(=O)CCCO)CC2)cs1 OCC[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)C[*:1]
Cc1nc(CN2CCN(C(=O)CCCO)CC2)cs1 OCCC[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 CCC[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)N[C@@H](Cc1ccccc1)[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 c1ccc(cc1)C[*:1] CCC[C@H](NC(=O)N1CCCC[C@H](C1)N1CC[NH+](C)CC1)[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 c1ccc(cc1)[*:1] CCC[C@H](C[*:1])NC(=O)N1CCCC[C@H](C1)N1CC[NH+](C)CC1
Cc1ccc(Cc2nnc(NC(=O)c3ccc(Br)cc3)o2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1nnc(C[*:1])o1)c1ccc(Br)cc1
Cc1ccc(Cc2nnc(NC(=O)c3ccc(Br)cc3)o2)cc1C Brc1ccc(cc1)[*:1] Cc1ccc(cc1C)Cc1nnc(NC(=O)[*:1])o1
CCOc1ccc(-n2c(=C(C#N)C#N)s/c(=C/c3ccsc3)c2=O)cc1 c1cc(cs1)[*:1] CCOc1ccc(cc1)-n1c(sc(=C[*:1])c1=O)=C(C#N)C#N
CCOc1ccc(-n2c(=C(C#N)C#N)s/c(=C/c3ccsc3)c2=O)cc1 CCO[*:1] N#CC(C#N)=c1s/c(=C/c2ccsc2)c(=O)n1-c1ccc(cc1)[*:1]
COc1cccc(-c2nn(C(C)(C)C)cc2CNc2ccc3c(c2)COC3)c1 c1cc2COCc2cc1[*:1] COc1cccc(c1)-c1nn(cc1CN[*:1])C(C)(C)C
COc1cccc(-c2nn(C(C)(C)C)cc2CNc2ccc3c(c2)COC3)c1 CC(C)(C)[*:1] COc1cccc(c1)-c1nn(cc1CNc1ccc2COCc2c1)[*:1]
COc1cccc(-c2nn(C(C)(C)C)cc2CNc2ccc3c(c2)COC3)c1 COc1cccc(c1)[*:1] CC(C)(C)n1cc(CNc2ccc3COCc3c2)c(n1)[*:1]
Cc1nn(C)cc1NC(=O)c1ccc(OC(C)C)cc1 CC(C)O[*:1] Cc1nn(C)cc1NC(=O)c1ccc(cc1)[*:1]
Cc1nn(C)cc1NC(=O)c1ccc(OC(C)C)cc1 CC(C)[*:1] Cc1nn(C)cc1NC(=O)c1ccc(cc1)O[*:1]
Cc1ccc2c(CC(=O)Nc3cccc(C(F)(F)F)c3)cc(=O)oc2c1 FC(F)(F)[*:1] Cc1ccc2c(cc(=O)oc2c1)CC(=O)Nc1cccc(c1)[*:1]
C=CCOc1ccccc1NC(=O)COc1ccc2ccccc2c1 C=CCO[*:1] O=C(COc1ccc2ccccc2c1)Nc1ccccc1[*:1]
C=CCOc1ccccc1NC(=O)COc1ccc2ccccc2c1 C=CC[*:1] O=C(COc1ccc2ccccc2c1)Nc1ccccc1O[*:1]
C[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(N)=O C1CO[C@@H](C1)C[*:1] C[C@@H](Sc1nnc(-c2cccs2)n1[*:1])C(N)=O
C[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(N)=O NC(=O)[*:1] C[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)[*:1]
C[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(N)=O C1CO[C@@H](C1)[*:1] C[C@@H](Sc1nnc(-c2cccs2)n1C[*:1])C(N)=O
C[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(N)=O c1csc(c1)[*:1] C[C@@H](Sc1nnc(n1C[C@@H]1CCCO1)[*:1])C(N)=O
C[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(N)=O C[C@@H](C(N)=O)[*:1] c1csc(c1)-c1nnc(S[*:1])n1C[C@@H]1CCCO1
C[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(N)=O C[C@@H](S[*:1])C(N)=O c1csc(c1)-c1nnc(n1C[C@@H]1CCCO1)[*:1]
O=C([O-])/C=C/C(=O)NCc1ccc(-c2cccs2)s1 O=C([O-])C=C[*:1] O=C(NCc1ccc(s1)-c1cccs1)[*:1]
O=C([O-])/C=C/C(=O)NCc1ccc(-c2cccs2)s1 c1csc(c1)[*:1] O=C([O-])/C=C/C(=O)NCc1ccc(s1)[*:1]
O=C([O-])/C=C/C(=O)NCc1ccc(-c2cccs2)s1 O=C([O-])[*:1] O=C(C=C[*:1])NCc1ccc(s1)-c1cccs1
CCOc1cc(NCc2c(C)noc2C)ccc1N CCO[*:1] Cc1noc(C)c1CNc1ccc(N)c(c1)[*:1]
CC(C)(C)NC(=O)N1CCC(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 CC(C)(C)[*:1] O=C(NCC1CCN(CC1)C(=O)N[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
CC(C)(C)NC(=O)N1CCC(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 O=S(=O)(N1CCCCC1)[*:1] CC(C)(C)NC(=O)N1CCC(CC1)CNC(=O)c1ccc(cc1)[*:1]
Cc1ccccc1-n1c(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccncc1 c1cc(ccn1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])S[C@@H](C)C(=O)N1CCN(CC1)c1ccccc1
Cc1ccccc1-n1c(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccncc1 c1ccc(cc1)[*:1] Cc1ccccc1-n1c(nnc1-c1ccncc1)S[C@@H](C)C(=O)N1CCN(CC1)[*:1]
Cc1ccccc1-n1c(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccncc1 Cc1ccccc1[*:1] C[C@H](Sc1nnc(-c2ccncc2)n1[*:1])C(=O)N1CCN(CC1)c1ccccc1
CN(C)N(C(=O)/C=C/c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 FC(F)[*:1] CN(C)N(C(=O)/C=C/c1ccc(cc1)O[*:1])[C@H]1CCS(=O)(=O)C1
CN(C)N(C(=O)/C=C/c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 FC(F)O[*:1] CN(C)N(C(=O)/C=C/c1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
CCOC(=O)C1CC[NH+](Cc2nnn(-c3cc(F)cc(F)c3)c2-c2ccncc2)CC1 c1cc(ccn1)[*:1] CCOC(=O)C1CC[NH+](CC1)Cc1nnn(-c2cc(F)cc(F)c2)c1[*:1]
CCOC(=O)C1CC[NH+](Cc2nnn(-c3cc(F)cc(F)c3)c2-c2ccncc2)CC1 CCOC(=O)[*:1] Fc1cc(F)cc(c1)-n1nnc(C[NH+]2CCC(CC2)[*:1])c1-c1ccncc1
CCOC(=O)C1CC[NH+](Cc2nnn(-c3cc(F)cc(F)c3)c2-c2ccncc2)CC1 Fc1cc(F)cc(c1)[*:1] CCOC(=O)C1CC[NH+](CC1)Cc1nnn(c1-c1ccncc1)[*:1]
CC[C@](C)(NC(=O)N[C@H]1CCS(=O)(=O)C1)c1nc(C)cs1 O=S1(=O)CC[C@@H](C1)[*:1] CC[C@](C)(NC(=O)N[*:1])c1nc(C)cs1
CC[C@](C)(NC(=O)N[C@H]1CCS(=O)(=O)C1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@](C)(NC(=O)N[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1c(-c2cc(C(F)(F)F)ccc2F)[nH+]n(C)c1N FC(F)(F)[*:1] Cc1c([nH+]n(C)c1N)-c1cc(ccc1F)[*:1]
O=C(C[C@@H]1CCOC2(CCOCC2)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1CCOC2(CCOCC2)C1)[*:1]
Cc1ccc([N+](=O)[O-])c(N2CCC(C=O)CC2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N1CCC(C=O)CC1)[*:1]
CC1=NC2=NC(Nc3ccc(C)c(C)c3)=N[C@H](c3cccc(C)c3)N2C([O-])=C1 Cc1cccc(c1)[*:1] CC1C=C([O-])N2C(N=1)=NC(=N[C@H]2[*:1])Nc1ccc(C)c(C)c1
CC1=NC2=NC(Nc3ccc(C)c(C)c3)=N[C@H](c3cccc(C)c3)N2C([O-])=C1 Cc1ccc(cc1C)[*:1] CC1C=C([O-])N2C(N=1)=NC(=N[C@@H]2c1cccc(C)c1)N[*:1]
C[C@@H]1CCCCN1c1nc2nccc(-c3ccsc3)c2c(=O)[nH]1 C[C@@H]1CCCCN1[*:1] O=c1[nH]c(nc2nccc(-c3ccsc3)c12)[*:1]
C[C@@H]1CCCCN1c1nc2nccc(-c3ccsc3)c2c(=O)[nH]1 c1cc(cs1)[*:1] C[C@@H]1CCCCN1c1nc2nccc(c2c(=O)[nH]1)[*:1]
c1ccc(C2CC2)c(C[NH2+][C@@H]2CCC[C@@H]2n2cc[nH+]c2)c1 C1CC1[*:1] c1ccc(c(c1)C[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1)[*:1]
Cc1ccc(-n2nnnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])NN1C(=O)NC2(CCCCC2)C1=O
CC1CC[NH+](CC2(CC(=O)[O-])CCCCC2)CC1 O=C([O-])[*:1] CC1CC[NH+](CC1)CC1(CCCCC1)C[*:1]
CC1CC[NH+](CC2(CC(=O)[O-])CCCCC2)CC1 O=C([O-])C[*:1] CC1CC[NH+](CC1)CC1(CCCCC1)[*:1]
CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 CNC(=O)[*:1] Cc1nn(Cc2ccc(Cl)cc2)c2sc(cc12)[*:1]
CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 Clc1ccc(cc1)[*:1] CNC(=O)c1cc2c(C)nn(C[*:1])c2s1
Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 CN(S(C)(=O)=O)[*:1] Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(CC1)[*:1]
Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 Cc1ccccc1[*:1] CN(C1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1])S(C)(=O)=O
[NH2+]=C(Nc1ccccc1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 c1ccc(cc1)[*:1] [NH2+]=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1)N[*:1]
Cc1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)NCCC(C)C)o1 CC(C)C[*:1] Cc1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)NC[*:1])o1
Cc1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)NCCC(C)C)o1 CC(C)CC[*:1] Cc1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)N[*:1])o1
Cc1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)NCCC(C)C)o1 Cc1ccc(o1)[*:1] CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)NCCC(C)C)o1 CC(C)[*:1] Cc1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)NCC[*:1])o1
COc1cccc2cc(C(=O)NCCn3nc(-c4cccnc4)ccc3=O)oc12 c1cncc(c1)[*:1] COc1cccc2cc(oc12)C(=O)NCCn1nc(ccc1=O)[*:1]
COCCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 O=[N+]([O-])[*:1] COCCOC1CCN(CC1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
COCCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 COC[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N1CCC(CC1)OC[*:1]
COCCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 COCCO[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N1CCC(CC1)[*:1]
COCCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 COCC[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N1CCC(CC1)O[*:1]
CCN(CCO)c1ncnc(N2CC[NH+](Cc3ccccc3)CC2)c1N CCN(CCO)[*:1] Nc1c(ncnc1[*:1])N1CC[NH+](CC1)Cc1ccccc1
CCN(CCO)c1ncnc(N2CC[NH+](Cc3ccccc3)CC2)c1N OCC[*:1] CCN(c1ncnc(c1N)N1CC[NH+](CC1)Cc1ccccc1)[*:1]
CCN(CCO)c1ncnc(N2CC[NH+](Cc3ccccc3)CC2)c1N c1ccc(cc1)[*:1] CCN(CCO)c1ncnc(c1N)N1CC[NH+](CC1)C[*:1]
CCN(CCO)c1ncnc(N2CC[NH+](Cc3ccccc3)CC2)c1N c1ccc(cc1)C[*:1] CCN(CCO)c1ncnc(c1N)N1CC[NH+](CC1)[*:1]
CCCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)n[nH]c1=O CCC[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1n[nH]c(=O)n1C[*:1]
CCCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)n[nH]c1=O CCCC[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1n[nH]c(=O)n1[*:1]
CCO[C@@H](CC)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 CCO[C@@H](CC)[*:1] O=C(NCc1ccc(c(F)c1)-n1ccnc1)[*:1]
CCO[C@@H](CC)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 c1cn(cn1)[*:1] CCO[C@@H](CC)C(=O)NCc1ccc(c(F)c1)[*:1]
CCO[C@@H](CC)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 CCO[*:1] CC[C@@H](C(=O)NCc1ccc(c(F)c1)-n1ccnc1)[*:1]
Cc1cscc1CNS(=O)(=O)c1csc(C[NH3+])c1 Cc1cscc1[*:1] [NH3+]Cc1cc(cs1)S(=O)(=O)NC[*:1]
Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)NCc4ccco4)CC3)nc3ccccc32)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)Cn1c(=O)c(nc2ccccc21)N1CCN(CC1)C(=O)NC[*:1]
Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)NCc4ccco4)CC3)nc3ccccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(NCc1ccco1)N1CCN(CC1)c1nc2ccccc2n(c1=O)[*:1]
Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)NCc4ccco4)CC3)nc3ccccc32)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)Cn1c(=O)c(nc2ccccc21)N1CCN(CC1)C(=O)N[*:1]
Cc1ccc(Cn2c(=O)c(N3CCN(C(=O)NCc4ccco4)CC3)nc3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccco1)N1CCN(CC1)c1nc2ccccc2n(C[*:1])c1=O
O=C(COc1ccccc1OCCO)N1CCC[C@H]2CCCC[C@H]21 OCC[*:1] O=C(COc1ccccc1O[*:1])N1CCC[C@H]2CCCC[C@H]21
O=C(COc1ccccc1OCCO)N1CCC[C@H]2CCCC[C@H]21 OCCO[*:1] O=C(COc1ccccc1[*:1])N1CCC[C@H]2CCCC[C@H]21
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 FC(F)(F)[*:1] C[C@@H](c1nc(no1)-c1cccc(c1)[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 FC(F)(F)c1cccc(c1)[*:1] C[C@@H](c1nc(no1)[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](c1nc(no1)-c1cccc(c1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)C[*:1]
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](c1nc(no1)-c1cccc(c1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)[*:1]
CN1CCN2CCN(C(=O)c3cnon3)C[C@@H]2C1=O c1nonc1[*:1] CN1CCN2CCN(C[C@@H]2C1=O)C(=O)[*:1]
NC(=O)N1CC[NH+](CCO)CC1 OCC[*:1] NC(=O)N1CC[NH+](CC1)[*:1]
O=C(Cc1ccc(F)cc1F)NCc1cc(Cl)c2c(c1)OCCO2 Fc1ccc(c(F)c1)[*:1] O=C(C[*:1])NCc1cc(Cl)c2OCCOc2c1
O=C([O-])COc1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=C([O-])[*:1] O=C(/C=C/c1ccc(Cl)c(c1)[N+](=O)[O-])c1ccc(cc1)OC[*:1]
O=C([O-])COc1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=C([O-])CO[*:1] O=C(/C=C/c1ccc(Cl)c(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
O=C([O-])COc1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=C([O-])C[*:1] O=C(/C=C/c1ccc(Cl)c(c1)[N+](=O)[O-])c1ccc(cc1)O[*:1]
O=C([O-])COc1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] O=C([O-])COc1ccc(cc1)C(=O)/C=C/c1ccc(Cl)c(c1)[*:1]
C[C@@H](NC(=O)/C=C/c1ccccc1)[C@H]1OCCc2ccccc21 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C=C[*:1])[C@H]1OCCc2ccccc21
O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)NCc1ccccc1Cl C1CC1[*:1] O=C(Cn1nc(n(-c2ccccc2)c1=O)[*:1])NCc1ccccc1Cl
O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)NCc1ccccc1Cl c1ccc(cc1)[*:1] O=C(Cn1nc(C2CC2)n(c1=O)[*:1])NCc1ccccc1Cl
O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)NC[*:1]
O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)N[*:1]
CCCS(=O)(=O)CC(=O)Nc1cc(-c2nc(CC)no2)ccc1C CCCS(=O)(=O)[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)C[*:1]
CCCS(=O)(=O)CC(=O)Nc1cc(-c2nc(CC)no2)ccc1C CCc1noc(n1)[*:1] CCCS(=O)(=O)CC(=O)Nc1cc(ccc1C)[*:1]
CCCS(=O)(=O)CC(=O)Nc1cc(-c2nc(CC)no2)ccc1C CCCS(=O)(=O)C[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)[*:1]
CCCS(=O)(=O)CC(=O)Nc1cc(-c2nc(CC)no2)ccc1C CCC[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)CS(=O)(=O)[*:1]
Cc1ccc(NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cccc2NC(=O)[C@@H](C)Oc21
O=C(Cc1cccc2ccccc12)N1CCC[C@@H]1c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] O=C(Cc1cccc2ccccc12)N1CCC[C@H]1[*:1]
Cc1nc(S(=O)(=O)NCCC(=O)NN2Cc3ccccc3C2)cn1C Cc1nc(cn1C)[*:1] O=C(CCNS(=O)(=O)[*:1])NN1Cc2ccccc2C1
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccco1 FC(F)(F)[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])c1ccco1
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccco1 c1coc(c1)[*:1] O=C(N/N=C/c1ccc(cc1)C(F)(F)F)[*:1]
CCSc1nc2nc(C)c(C(C)=O)c(C)n2n1 CCS[*:1] CC(=O)c1c(C)nc2nc(nn2c1C)[*:1]
CCSc1nc2nc(C)c(C(C)=O)c(C)n2n1 CC(=O)[*:1] CCSc1nc2nc(C)c(c(C)n2n1)[*:1]
CC(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(Cl)cc1Cl CC(=O)[*:1] C[NH+](C)CCN1C(=O)C(O)=C([C@H]1c1ccc(Cl)cc1Cl)[*:1]
COc1ccc(OC)c(NC(=O)NCc2cccc(Cn3ccnc3)c2)c1 c1cn(cn1)[*:1] COc1ccc(OC)c(c1)NC(=O)NCc1cccc(c1)C[*:1]
COc1ccc(OC)c(NC(=O)NCc2cccc(Cn3ccnc3)c2)c1 c1cn(cn1)C[*:1] COc1ccc(OC)c(c1)NC(=O)NCc1cccc(c1)[*:1]
CCN1C(=O)N(C[NH+]2CCCCC2)[C@@H]2[C@H]1N(CN1CCCCC1)C(=O)N2CC C1CCN(CC1)[*:1] CCN1C(=O)N(C[*:1])[C@@H]2[C@H]1N(C[NH+]1CCCCC1)C(=O)N2CC
CCN1C(=O)N(C[NH+]2CCCCC2)[C@@H]2[C@H]1N(CN1CCCCC1)C(=O)N2CC C1CCN(CC1)C[*:1] CCN1C(=O)N([C@@H]2[C@H]1N(C[NH+]1CCCCC1)C(=O)N2CC)[*:1]
O=c1[nH]ccc2cc(OCc3ccccc3)ccc12 c1ccc(cc1)[*:1] O=c1[nH]ccc2cc(ccc12)OC[*:1]
O=C(Cn1c(-c2ccco2)nc2ccccc21)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cn1c(nc2ccccc21)-c1ccco1)N[*:1]
O=C(Cn1c(-c2ccco2)nc2ccccc21)NCc1ccco1 c1coc(c1)[*:1] O=C(Cn1c(nc2ccccc21)-c1ccco1)NC[*:1]
O=C(Cn1c(-c2ccco2)nc2ccccc21)NCc1ccco1 c1coc(c1)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])NCc1ccco1
COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 COc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)CCC(=O)N1CCC[C@H]1[*:1]
COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 NS(=O)(=O)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)[*:1]
C/C(=C(/F)C(=O)[O-])c1ccccc1F O=C([O-])[*:1] C/C(=C(/F)[*:1])c1ccccc1F
COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@H]3c4ccccc4C=NN32)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2c3ccccc3C=NN21)[*:1]
COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@H]3c4ccccc4C=NN32)cc1 COc1ccc(cc1)[*:1] O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H]1c3ccccc3C=NN1[C@H]2C(=O)[*:1]
COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@H]3c4ccccc4C=NN32)cc1 COc1ccc(cc1)C(=O)[*:1] O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H]1c3ccccc3C=NN1[C@H]2[*:1]
CC[C@@H](C)N(C)c1ccccc1CO CC[C@@H](C)[*:1] CN(c1ccccc1CO)[*:1]
C[C@H](NC(=O)c1cnc(Oc2ccccc2)cn1)[C@@H]1CCOC1 c1ccc(cc1)O[*:1] C[C@H](NC(=O)c1cnc(cn1)[*:1])[C@@H]1CCOC1
C[C@H](NC(=O)c1cnc(Oc2ccccc2)cn1)[C@@H]1CCOC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cnc(cn1)O[*:1])[C@@H]1CCOC1
CC[C@@H](C)NC(=O)CN(Cc1ccccc1)C(=O)c1ccoc1 CC[C@@H](C)[*:1] O=C(CN(Cc1ccccc1)C(=O)c1ccoc1)N[*:1]
CC[C@@H](C)NC(=O)CN(Cc1ccccc1)C(=O)c1ccoc1 CC[C@@H](C)NC(=O)[*:1] O=C(c1ccoc1)N(Cc1ccccc1)C[*:1]
CC[C@@H](C)NC(=O)CN(Cc1ccccc1)C(=O)c1ccoc1 c1cc(co1)[*:1] CC[C@@H](C)NC(=O)CN(Cc1ccccc1)C(=O)[*:1]
CC[C@@H](C)NC(=O)CN(Cc1ccccc1)C(=O)c1ccoc1 c1ccc(cc1)C[*:1] CC[C@@H](C)NC(=O)CN(C(=O)c1ccoc1)[*:1]
CC[C@@H](C)NC(=O)CN(Cc1ccccc1)C(=O)c1ccoc1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)CN(C[*:1])C(=O)c1ccoc1
Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 CN(C)C(=O)[*:1] Cc1cc(ccc1NC[C@@H]1CC[C@H](O1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC[C@@H]1CC[C@@H](O1)C(=O)N(C)C)[*:1]
Cc1ccc2cccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2n1 O=[N+]([O-])[*:1] Cc1ccc2cccc(NC(=O)c3ccc(o3)-c3cccc(c3)[*:1])c2n1
Cc1ccc2cccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2n1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc2cccc(NC(=O)c3ccc(o3)[*:1])c2n1
Cc1ccc(C(=O)N2CCC(c3nnc(-c4scnc4C)o3)CC2)cc1 Cc1ncsc1[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)c1nnc(o1)[*:1]
Cc1ccc(C(=O)N2CCC(c3nnc(-c4scnc4C)o3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ncsc1-c1nnc(o1)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCc3noc(C)n3)CC2)c1 Cc1nc(no1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1OC[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCc3noc(C)n3)CC2)c1 Cc1nc(CO[*:1])no1 Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCc3noc(C)n3)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cc1nc(COc2ccccc2C(=O)N2CCN(CC2)S(=O)(=O)[*:1])no1
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCc3noc(C)n3)CC2)c1 Cc1nc(C[*:1])no1 Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1O[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N[C@@H](C)c2ncc(C)s2)n1 Cc1nc(C)n(n1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)Nc1ccccc1[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N[C@@H](C)c2ncc(C)s2)n1 Cc1cnc(s1)[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N[C@@H](C)[*:1]
COc1ccc(C)cc1CS(=O)(=O)CC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(C)cc1CS(=O)(=O)CC(=O)N[*:1]
COc1ccc(C)cc1CS(=O)(=O)CC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(C)cc1CS(=O)(=O)CC(=O)NC[*:1]
O=C(NCCC[NH+]1CCCCC1)c1nn(-c2ccc(F)cc2)cc1[O-] Fc1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCCCC1)c1nn(cc1[O-])[*:1]
Cc1cccc(-c2ccc(C[C@@]3(C(N)=O)CN(C(=O)c4ccccn4)CCO3)cc2)c1 Cc1cccc(c1)[*:1] NC(=O)[C@]1(Cc2ccc(cc2)[*:1])CN(CCO1)C(=O)c1ccccn1
Cc1cccc(-c2ccc(C[C@@]3(C(N)=O)CN(C(=O)c4ccccn4)CCO3)cc2)c1 NC(=O)[*:1] Cc1cccc(c1)-c1ccc(cc1)C[C@]1(CN(CCO1)C(=O)c1ccccn1)[*:1]
Cc1cccc(-c2ccc(C[C@@]3(C(N)=O)CN(C(=O)c4ccccn4)CCO3)cc2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)-c1ccc(cc1)C[C@]1(CN(CCO1)C(=O)[*:1])C(N)=O
CCCn1cc[nH+]c1C[C@@]([NH3+])(CCC)c1ccccc1 CCC[*:1] CCCn1cc[nH+]c1C[C@@]([NH3+])(c1ccccc1)[*:1]
CCCn1cc[nH+]c1C[C@@]([NH3+])(CCC)c1ccccc1 CCC[*:1] CCC[C@]([NH3+])(Cc1[nH+]ccn1[*:1])c1ccccc1
CCCn1cc[nH+]c1C[C@@]([NH3+])(CCC)c1ccccc1 c1ccc(cc1)[*:1] CCCn1cc[nH+]c1C[C@@]([NH3+])(CCC)[*:1]
CCC[NH2+][C@@H](c1cccs1)[C@@H]1CCOC2(CCC2)C1 CCC[*:1] c1csc(c1)[C@H]([NH2+][*:1])[C@@H]1CCOC2(CCC2)C1
CCC[NH2+][C@@H](c1cccs1)[C@@H]1CCOC2(CCC2)C1 c1csc(c1)[*:1] CCC[NH2+][C@@H]([C@@H]1CCOC2(CCC2)C1)[*:1]
CCN(CC)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])C[*:1] CCN(CC)C(=O)N1CCO[C@@H](C1)[*:1]
CCN(CC)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])[*:1] CCN(CC)C(=O)N1CCO[C@H](C1)C[*:1]
COCc1cc(=O)[nH]c([C@H]2CCCN(Cc3c(OC)cccc3OC)C2)n1 COC[*:1] COc1cccc(OC)c1CN1CCC[C@@H](C1)c1nc(cc(=O)[nH]1)[*:1]
C[C@H](NC(=O)c1ccco1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCC(CC1)n1c(=O)[nH]c2ccccc21
C[C@H](NC(=O)c1ccco1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 O=C(N[*:1])c1ccco1 C[C@H](C(=O)N1CCC(CC1)n1c(=O)[nH]c2ccccc21)[*:1]
O=C(NCc1nn(-c2ccccc2)c2c1CCC2)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(NCc1nn(-c2ccccc2)c2CCCc12)N1CCOC[C@@H]1[*:1]
O=C(NCc1nn(-c2ccccc2)c2c1CCC2)N1CCOC[C@H]1C1CC1 c1ccc(cc1)[*:1] O=C(NCc1nn(c2CCCc12)[*:1])N1CCOC[C@H]1C1CC1
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 Fc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N(C)C[C@@H]1COc2ccccc2O1)[*:1]
O=C(NCc1nnc2n1CCC2)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] O=C(NCc1nnc2CCCn21)C1CCC(=O)N(N=1)[*:1]
O=C(NCc1nnc2n1CCC2)C1=NN(c2ccccc2)C(=O)CC1 C1Cc2nnc(n2C1)[*:1] O=C(NC[*:1])C1CCC(=O)N(N=1)c1ccccc1
Cc1ccc(C)c(Nc2nc(-c3cn(C)nc3C)cs2)c1 Cc1nn(C)cc1[*:1] Cc1ccc(C)c(c1)Nc1nc(cs1)[*:1]
CCN(Cc1ccccc1)C(=O)CN1C[C@@H]([NH3+])C[C@@H](C)C1 c1ccc(cc1)C[*:1] CCN(C(=O)CN1C[C@@H]([NH3+])C[C@@H](C)C1)[*:1]
CCN(Cc1ccccc1)C(=O)CN1C[C@@H]([NH3+])C[C@@H](C)C1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CN1C[C@@H]([NH3+])C[C@@H](C)C1
COc1cccc(-n2c(N)c(C(N)=O)sc2=S)c1 NC(=O)[*:1] COc1cccc(c1)-n1c(N)c(sc1=S)[*:1]
O=S1(=O)C[C@H]2N=C(Nc3cccc(C(F)(F)F)c3)S[C@H]2C1 FC(F)(F)[*:1] O=S1(=O)C[C@H]2N=C(Nc3cccc(c3)[*:1])S[C@H]2C1
COc1ccc2sc(N(C[C@H]3CCCO3)C(=O)Cc3cccs3)nc2c1 c1csc(c1)[*:1] COc1ccc2sc(nc2c1)N(C[C@H]1CCCO1)C(=O)C[*:1]
COc1ccc2sc(N(C[C@H]3CCCO3)C(=O)Cc3cccs3)nc2c1 c1csc(c1)C[*:1] COc1ccc2sc(nc2c1)N(C[C@H]1CCCO1)C(=O)[*:1]
COCCCN1CCC[C@@]2(CCN(C(=O)COc3cccc(C)c3)C2)C1=O Cc1cccc(c1)O[*:1] COCCCN1CCC[C@@]2(CCN(C2)C(=O)C[*:1])C1=O
COCCCN1CCC[C@@]2(CCN(C(=O)COc3cccc(C)c3)C2)C1=O Cc1cccc(c1)[*:1] COCCCN1CCC[C@@]2(CCN(C2)C(=O)CO[*:1])C1=O
COCCCN1CCC[C@@]2(CCN(C(=O)COc3cccc(C)c3)C2)C1=O COCCC[*:1] Cc1cccc(c1)OCC(=O)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
COCCCN1CCC[C@@]2(CCN(C(=O)COc3cccc(C)c3)C2)C1=O COC[*:1] Cc1cccc(c1)OCC(=O)N1CC[C@@]2(CCCN(CC[*:1])C2=O)C1
COCCCN1CCC[C@@]2(CCN(C(=O)COc3cccc(C)c3)C2)C1=O Cc1cccc(c1)OC[*:1] COCCCN1CCC[C@@]2(CCN(C2)C(=O)[*:1])C1=O
COCCCN1CCC[C@@]2(CCN(C(=O)COc3cccc(C)c3)C2)C1=O COCC[*:1] Cc1cccc(c1)OCC(=O)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
CC(C)CN1C(=O)NC(=N)[C@]12CCC[C@@H]2C CC(C)C[*:1] C[C@H]1CCC[C@]12C(=N)NC(=O)N2[*:1]
CC(C)CN1C(=O)NC(=N)[C@]12CCC[C@@H]2C CC(C)[*:1] C[C@H]1CCC[C@]12C(=N)NC(=O)N2C[*:1]
O=C(NC1CC1)C1CN(c2nc3ccccc3s2)C1 C1CC1[*:1] O=C(N[*:1])C1CN(C1)c1nc2ccccc2s1
O=C(NC1CC1)C1CN(c2nc3ccccc3s2)C1 O=C(NC1CC1)[*:1] c1ccc2sc(nc2c1)N1CC(C1)[*:1]
Cc1nc2ccccc2nc1S[C@H](C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2ccccc2nc1S[C@H](C(N)=O)[*:1]
Cc1nc2ccccc2nc1S[C@H](C(N)=O)c1ccccc1 NC(=O)[*:1] Cc1nc2ccccc2nc1S[C@H](c1ccccc1)[*:1]
CCc1nnc(NC(=O)N[C@@H](C)c2ccc(C)o2)s1 Cc1ccc(o1)[*:1] CCc1nnc(NC(=O)N[C@@H](C)[*:1])s1
Cc1ccc(C[NH2+]CCC(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)C[NH2+]CC[*:1]
Cc1ccc(C[NH2+]CCC(=O)[O-])cc1 O=C([O-])C[*:1] Cc1ccc(cc1)C[NH2+]C[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@H](O)c1ccccc1F FC(F)(F)[*:1] O=[N+]([O-])c1cc(c(Cl)cc1NC[C@H](O)c1ccccc1F)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@H](O)c1ccccc1F Fc1ccccc1[*:1] O=[N+]([O-])c1cc(c(Cl)cc1NC[C@H](O)[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@H](O)c1ccccc1F O=[N+]([O-])[*:1] O[C@@H](CNc1cc(Cl)c(cc1[*:1])C(F)(F)F)c1ccccc1F
Cc1c(-c2cc(C(=O)N3CCC(=O)N(CC4CC4)[C@H](C(C)C)C3)no2)cnn1C C1CC1C[*:1] Cc1c(cnn1C)-c1cc(no1)C(=O)N1CCC(=O)N([C@@H](C1)C(C)C)[*:1]
Cc1c(-c2cc(C(=O)N3CCC(=O)N(CC4CC4)[C@H](C(C)C)C3)no2)cnn1C Cc1c(cnn1C)[*:1] CC(C)[C@@H]1CN(CCC(=O)N1CC1CC1)C(=O)c1cc(on1)[*:1]
Cc1c(-c2cc(C(=O)N3CCC(=O)N(CC4CC4)[C@H](C(C)C)C3)no2)cnn1C CC(C)[*:1] Cc1c(cnn1C)-c1cc(no1)C(=O)N1CCC(=O)N(CC2CC2)[C@H](C1)[*:1]
Cc1c(-c2cc(C(=O)N3CCC(=O)N(CC4CC4)[C@H](C(C)C)C3)no2)cnn1C C1CC1[*:1] Cc1c(cnn1C)-c1cc(no1)C(=O)N1CCC(=O)N(C[*:1])[C@@H](C1)C(C)C
CN(CCc1ccccn1)C(=O)CNC(=O)c1cccc2cc[nH]c12 c1ccc(CC[*:1])nc1 CN(C(=O)CNC(=O)c1cccc2cc[nH]c12)[*:1]
CN(CCc1ccccn1)C(=O)CNC(=O)c1cccc2cc[nH]c12 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)CNC(=O)c1cccc2cc[nH]c12
CN(CCc1ccccn1)C(=O)CNC(=O)c1cccc2cc[nH]c12 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)CNC(=O)c1cccc2cc[nH]c12
CC1(CNC(=O)NNC(=O)C(C)(C)C)Cc2ccccc2C1 CC(C)(C)[*:1] CC1(CNC(=O)NNC(=O)[*:1])Cc2ccccc2C1
Cc1ccc(C)c(CS(=O)(=O)[C@H](C)C(=O)NCCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)CS(=O)(=O)[C@H](C)C(=O)NC[*:1]
Cc1ccc(C)c(CS(=O)(=O)[C@H](C)C(=O)NCCc2ccccc2)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](C(=O)NCCc1ccccc1)S(=O)(=O)C[*:1]
Cc1ccc(C)c(CS(=O)(=O)[C@H](C)C(=O)NCCc2ccccc2)c1 c1ccc(cc1)CC[*:1] Cc1ccc(C)c(c1)CS(=O)(=O)[C@H](C)C(=O)N[*:1]
Cc1ccc(C)c(CS(=O)(=O)[C@H](C)C(=O)NCCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)CS(=O)(=O)[C@H](C)C(=O)NCC[*:1]
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc([N+](=O)[O-])c1[O-] Cc1ccc(cc1)[*:1] COc1cc(/C=C(\C#N)c2nc(cs2)[*:1])cc(c1[O-])[N+](=O)[O-]
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] COc1cc(/C=C(\C#N)c2nc(cs2)-c2ccc(C)cc2)cc(c1[O-])[*:1]
C[C@@H](O)[C@@H](C)Nc1cnn(C)c1 C[C@@H](O)[*:1] C[C@@H](Nc1cnn(C)c1)[*:1]
Cc1nc(NC2CCCC2)c2c(n1)c(C)nn2C C1CCC(C1)N[*:1] Cc1nc(c2c(n1)c(C)nn2C)[*:1]
Cc1nc(NC2CCCC2)c2c(n1)c(C)nn2C C1CCC(C1)[*:1] Cc1nc(N[*:1])c2c(n1)c(C)nn2C
COc1ccc(-n2nnc(C(=O)Nc3cc(C)ccc3C)c2C)cc1Cl Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1Cl)-n1nnc(C(=O)N[*:1])c1C
Cc1ccc2c(CC(=O)OCC(=O)Nc3c(Cl)cccc3C(F)(F)F)coc2c1 FC(F)(F)[*:1] Cc1ccc2c(coc2c1)CC(=O)OCC(=O)Nc1c(Cl)cccc1[*:1]
COC(=O)CN(C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O)C(C)C Clc1ccc(cc1)[*:1] COC(=O)CN(C(=O)c1nn(c(C)cc1=O)[*:1])C(C)C
COC(=O)CN(C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O)C(C)C COC(=O)[*:1] Cc1cc(=O)c(nn1-c1ccc(Cl)cc1)C(=O)N(C[*:1])C(C)C
COC(=O)CN(C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O)C(C)C CC(C)[*:1] COC(=O)CN(C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O)[*:1]
COC(=O)CN(C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O)C(C)C COC(=O)C[*:1] Cc1cc(=O)c(nn1-c1ccc(Cl)cc1)C(=O)N(C(C)C)[*:1]
O=C(Nc1sccc1C(=O)NCc1ccc(Cn2cncn2)cc1)c1ccc(Cl)cc1O c1ncn(C[*:1])n1 O=C(Nc1sccc1C(=O)NCc1ccc(cc1)[*:1])c1ccc(Cl)cc1O
O=C(Nc1sccc1C(=O)NCc1ccc(Cn2cncn2)cc1)c1ccc(Cl)cc1O c1ncn(n1)[*:1] O=C(Nc1sccc1C(=O)NCc1ccc(cc1)C[*:1])c1ccc(Cl)cc1O
O=C(Nc1sccc1C(=O)NCc1ccc(Cn2cncn2)cc1)c1ccc(Cl)cc1O Oc1cc(Cl)ccc1[*:1] O=C(NCc1ccc(cc1)Cn1cncn1)c1ccsc1NC(=O)[*:1]
CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(Cl)c1 CCS[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@@H]2c1cccc(Cl)c1)[*:1]
CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCSc1nc(=O)c2c(NC(=O)C[C@H]2[*:1])n1C
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NC3CCN(C(=O)c4ccoc4)CC3)C2)c1 c1cc(co1)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)NC1CCN(CC1)C(=O)[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NC3CCN(C(=O)c4ccoc4)CC3)C2)c1 Cc1cccc(c1)[*:1] O=C(NC1CCN(CC1)C(=O)c1ccoc1)[C@H]1CCCN(C1)C(=O)N[*:1]
Nc1ccccc1SCCCOc1ccccc1 c1ccc(cc1)[*:1] Nc1ccccc1SCCCO[*:1]
COC1=C[C@@H]2C(=N[C@H](C)[C@H]2c2csc(NC(=O)c3ccccn3)n2)C=C1 c1ccc(nc1)[*:1] COC1C=CC2=N[C@H](C)[C@@H](c3csc(n3)NC(=O)[*:1])[C@@H]2C=1
CCc1ncc(C(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cn1 CCc1ncc(cn1)[*:1] C[NH+](C)CCN1CC2(CCC1=O)CCN(CC2)C(=O)[*:1]
CC(=O)N[C@H]1C(=O)N(Cc2ccccc2Cl)c2ccccc21 Clc1ccccc1[*:1] CC(=O)N[C@H]1C(=O)N(C[*:1])c2ccccc21
CC(=O)N[C@H]1C(=O)N(Cc2ccccc2Cl)c2ccccc21 CC(=O)N[*:1] O=C1[C@@H](c2ccccc2N1Cc1ccccc1Cl)[*:1]
Cc1sc(C(=O)N[C@@H](C)c2[nH]cc(-c3ccccc3)[nH+]2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1sc(cc1[*:1])C(=O)N[C@@H](C)c1[nH]cc([nH+]1)-c1ccccc1
Cc1sc(C(=O)N[C@@H](C)c2[nH]cc(-c3ccccc3)[nH+]2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1[nH]cc([nH+]1)[*:1]
FC(F)n1ccnc1CN1CCN(Cc2ccnc(Cl)c2)CC1 Clc1cc(ccn1)[*:1] FC(F)n1ccnc1CN1CCN(CC1)C[*:1]
FC(F)n1ccnc1CN1CCN(Cc2ccnc(Cl)c2)CC1 FC(F)[*:1] Clc1cc(ccn1)CN1CCN(CC1)Cc1nccn1[*:1]
CC[C@@H](C#N)[C@]1(O)CCC[C@H](C(F)(F)F)C1 CC[C@@H](C#N)[*:1] O[C@@]1(CCC[C@@H](C1)C(F)(F)F)[*:1]
CC[C@@H](C#N)[C@]1(O)CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CC[C@@H](C#N)[C@]1(O)CCC[C@H](C1)[*:1]
CC/N=C1/S[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1CC FC(F)(F)[*:1] CC/N=C1/S[C@H](CC(=O)Nc2ccccc2[*:1])C(=O)N1CC
NC(=O)[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] NC(=O)[*:1] O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]1[*:1]
NC(=O)[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] NC(=O)[C@H]1CCCN1c1ccc(F)cc1[*:1]
COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cc(C)ccc2C)c1 COc1cccc(c1)[*:1] Cc1ccc(C)c(c1)N(Cc1cc2ccccc2[nH]c1=O)C(=O)[*:1]
COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cc(C)ccc2C)c1 Cc1ccc(C)c(c1)[*:1] COc1cccc(c1)C(=O)N(Cc1cc2ccccc2[nH]c1=O)[*:1]
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCc1ccncc1 c1cc(ccn1)[*:1] C[C@@H]1CC[C@H](CN1C(=O)CC[*:1])C(N)=O
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCc1ccncc1 NC(=O)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)CCc1ccncc1)[*:1]
CC(C)Oc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 CC(C)O[*:1] O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(c1)[*:1]
CC(C)Oc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 CC(C)[*:1] O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(c1)O[*:1]
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)nc2)cc1 COC(=O)[*:1] CN(C)c1ccc(cn1)NS(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)nc2)cc1 CN(C)[*:1] COC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(nc1)[*:1]
COCc1nc(C)cc(SC(C)(C)C)n1 CC(C)(C)S[*:1] COCc1nc(C)cc(n1)[*:1]
COCc1nc(C)cc(SC(C)(C)C)n1 CC(C)(C)[*:1] COCc1nc(C)cc(n1)S[*:1]
COCc1nc(C)cc(SC(C)(C)C)n1 COC[*:1] Cc1cc(nc(n1)[*:1])SC(C)(C)C
COC(=O)CNC(=O)c1cc(-c2cccnc2)nc2ccc(C(C)C)cc12 COC(=O)C[*:1] CC(C)c1ccc2nc(cc(C(=O)N[*:1])c2c1)-c1cccnc1
COC(=O)CNC(=O)c1cc(-c2cccnc2)nc2ccc(C(C)C)cc12 c1cncc(c1)[*:1] COC(=O)CNC(=O)c1cc(nc2ccc(cc12)C(C)C)[*:1]
COC(=O)CNC(=O)c1cc(-c2cccnc2)nc2ccc(C(C)C)cc12 COC(=O)[*:1] CC(C)c1ccc2nc(cc(C(=O)NC[*:1])c2c1)-c1cccnc1
COC(=O)CNC(=O)c1cc(-c2cccnc2)nc2ccc(C(C)C)cc12 COC(=O)CNC(=O)[*:1] CC(C)c1ccc2nc(cc(c2c1)[*:1])-c1cccnc1
COC(=O)CNC(=O)c1cc(-c2cccnc2)nc2ccc(C(C)C)cc12 CC(C)[*:1] COC(=O)CNC(=O)c1cc(nc2ccc(cc12)[*:1])-c1cccnc1
Cc1nccn1-c1ccc([C@H](C)NC(=O)CC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)C[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)CC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)CC[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)CC[C@H]2CCCO2)cc1 Cc1nccn1[*:1] C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)CC[C@H]2CCCO2)cc1 C1CO[C@H](C1)CC[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)[*:1]
Cn1nc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1NC(=O)c1ccccc1 c1cn(cn1)[*:1] Cn1nc(cc1NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)C[*:1]
Cn1nc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1NC(=O)c1ccccc1 c1cn(cn1)C[*:1] Cn1nc(cc1NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)[*:1]
Cn1nc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 Cn1nc(cc1[*:1])C(=O)Nc1cccc(c1)Cn1ccnc1
Cn1nc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)Nc1cccc(c1)Cn1ccnc1
CCCCn1cc[nH+]c1C1CCN(C(=O)c2nn(C)c(C)c2Cl)CC1 Cc1c(Cl)c(nn1C)[*:1] CCCCn1cc[nH+]c1C1CCN(CC1)C(=O)[*:1]
CCCCn1cc[nH+]c1C1CCN(C(=O)c2nn(C)c(C)c2Cl)CC1 CCCC[*:1] Cc1c(Cl)c(nn1C)C(=O)N1CCC(CC1)c1[nH+]ccn1[*:1]
CCCCn1cc[nH+]c1C1CCN(C(=O)c2nn(C)c(C)c2Cl)CC1 CCC[*:1] Cc1c(Cl)c(nn1C)C(=O)N1CCC(CC1)c1[nH+]ccn1C[*:1]
CCOC(=O)C1=C(NC(=O)NC(=O)c2ccccc2)c2ccccc2CC12CCCCC2 c1ccc(cc1)[*:1] CCOC(=O)C1=C(NC(=O)NC(=O)[*:1])c2ccccc2CC12CCCCC2
CCOC(=O)C1=C(NC(=O)NC(=O)c2ccccc2)c2ccccc2CC12CCCCC2 CCOC(=O)[*:1] O=C(NC(=O)c1ccccc1)NC1=C(C2(CCCCC2)Cc2ccccc21)[*:1]
O=C1OCC[C@H]1N1CCO[C@@H](c2ccccc2Br)C1 O=C1OCC[C@@H]1[*:1] Brc1ccccc1[C@H]1CN(CCO1)[*:1]
Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)c4cccnc4)C3)cc2)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1ccc(cc1)C[C@]1(CCCN(C1)C(=O)c1cccnc1)[*:1]
Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)c4cccnc4)C3)cc2)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)c1cccnc1)Cc1ccc(cc1)[*:1]
Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)c4cccnc4)C3)cc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)-c1ccc(cc1)C[C@]1(CCCN(C1)C(=O)[*:1])C(N)=O
Cc1cc(C)c2c(c1)N(CN1CCC(CN3CCOCC3)CC1)C(=O)C2=O C1CN(CCO1)[*:1] Cc1cc(C)c2C(=O)C(=O)N(CN3CCC(CC3)C[*:1])c2c1
Cc1cc(C)c2c(c1)N(CN1CCC(CN3CCOCC3)CC1)C(=O)C2=O C1CN(CCO1)C[*:1] Cc1cc(C)c2C(=O)C(=O)N(CN3CCC(CC3)[*:1])c2c1
CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3Cl)n2)cc1 Clc1ccccc1[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(n1)[C@@H](C)C(=O)N[*:1]
CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3Cl)n2)cc1 CCOc1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccccc1Cl)n1nc(ccc1=O)[*:1]
CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3Cl)n2)cc1 CCO[*:1] C[C@@H](C(=O)Nc1ccccc1Cl)n1nc(ccc1=O)-c1ccc(cc1)[*:1]
CC(C)NC(=O)CCNC(=O)N1CC[C@H]([N+]2=CCCC2)C1 CC(C)NC(=O)[*:1] O=C(NCC[*:1])N1CC[C@@H](C1)[N+]1=CCCC1
CC(C)NC(=O)CCNC(=O)N1CC[C@H]([N+]2=CCCC2)C1 CC(C)NC(=O)C[*:1] O=C(NC[*:1])N1CC[C@@H](C1)[N+]1=CCCC1
CC(C)NC(=O)CCNC(=O)N1CC[C@H]([N+]2=CCCC2)C1 CC(C)[*:1] O=C(CCNC(=O)N1CC[C@@H](C1)[N+]1=CCCC1)N[*:1]
COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CNC(N)=O)C1 COCC[*:1] NC(=O)NCC(=O)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CNC(N)=O)C1 COC[*:1] NC(=O)NCC(=O)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CNC(N)=O)C1 NC(=O)NC[*:1] COCCn1cc[nH+]c1[C@H]1CCCN(C1)C(=O)[*:1]
COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CNC(N)=O)C1 NC(=O)N[*:1] COCCn1cc[nH+]c1[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1cccc(NC(=O)CN(C)C(=O)c2cc(=O)[nH]c3ccccc23)c1C Cc1cccc(c1C)[*:1] CN(CC(=O)N[*:1])C(=O)c1cc(=O)[nH]c2ccccc12
CCCn1cc[nH+]c1C[C@@H](O)c1cccc(COC)c1 CCC[*:1] COCc1cccc(c1)[C@H](O)Cc1[nH+]ccn1[*:1]
CCCn1cc[nH+]c1C[C@@H](O)c1cccc(COC)c1 COC[*:1] CCCn1cc[nH+]c1C[C@@H](O)c1cccc(c1)[*:1]
O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 c1ccc(cc1)[*:1] O=C(c1ccc2OCOc2c1)[C@H]1CCCN(Cc2nc(cs2)[*:1])C1
O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 c1cc2OCOc2cc1[*:1] O=C([C@H]1CCCN(Cc2nc(cs2)-c2ccccc2)C1)[*:1]
NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C1)C(=O)[*:1]
NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C1)C(=O)C[*:1]
NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 NC(=O)[*:1] O=C(Cc1ccc(F)cc1)N1CCC[C@H](C1)c1nc2ccc(F)cc2cc1[*:1]
C[C@@H](Sc1nc2ccccc2[nH]1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](Sc1nc2ccccc2[nH]1)c1nnc(o1)[*:1]
O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)N[*:1]
Cc1nn(C)c(Cl)c1C[S@@](=O)CC(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1nn(C)c(Cl)c1C[S@@](=O)CC(=O)N[*:1]
Cc1cccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)OCc3ccccc3)[C@@H]4C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)OC[*:1])[C@@H]3C1=O
Cc1cccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)OCc3ccccc3)[C@@H]4C2=O)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)O[*:1])[C@@H]3C1=O
Cc1cccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)OCc3ccccc3)[C@@H]4C2=O)c1 Cc1cccc(c1)[*:1] O=C(OCc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
CC(C)(C)C1CCC(C#N)CC1 CC(C)(C)[*:1] N#CC1CCC(CC1)[*:1]
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 Clc1cccc(c1)[*:1] O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12)[*:1]
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 O=C(c1ccc(Cl)cc1)[*:1] O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H](N1N=Cc3ccccc3[C@@H]21)[*:1]
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 Clc1ccc(cc1)[*:1] O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@@H](C(=O)[*:1])N1N=Cc3ccccc3[C@@H]21
Cc1c(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)nnn1-c1cccc2cnccc12 c1cc(c2ccncc2c1)[*:1] Cc1c(nnn1[*:1])C(=O)Nc1ncn(Cc2cccc(Br)c2)n1
Cc1c(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)nnn1-c1cccc2cnccc12 Brc1cccc(c1)[*:1] Cc1c(nnn1-c1cccc2cnccc12)C(=O)Nc1ncn(C[*:1])n1
Cc1c(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)nnn1-c1cccc2cnccc12 Brc1cccc(c1)C[*:1] Cc1c(nnn1-c1cccc2cnccc12)C(=O)Nc1ncn(n1)[*:1]
O=C1CCCN1C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1CCCN1C(=O)CSc1nnc(C2CC2)n1[*:1]
O=C1CCCN1C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 O=C1CCCN1C(=O)[*:1] c1ccc(cc1)Cn1c(nnc1C1CC1)SC[*:1]
O=C1CCCN1C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 C1CC1[*:1] O=C1CCCN1C(=O)CSc1nnc(n1Cc1ccccc1)[*:1]
O=C1CCCN1C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1CCCN1C(=O)CSc1nnc(C2CC2)n1C[*:1]
Cc1cc(CSc2ncccc2C(=O)N[C@H]2CCCC[C@H]2C)no1 Cc1cc(no1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1cccnc1SC[*:1]
Cc1cc(CSc2ncccc2C(=O)N[C@H]2CCCC[C@H]2C)no1 Cc1cc(CS[*:1])no1 C[C@@H]1CCCC[C@@H]1NC(=O)c1cccnc1[*:1]
Cc1cc(CSc2ncccc2C(=O)N[C@H]2CCCC[C@H]2C)no1 Cc1cc(C[*:1])no1 C[C@@H]1CCCC[C@@H]1NC(=O)c1cccnc1S[*:1]
CC(C)N1CCO[C@H]([C@H]([NH3+])c2cnc3ccccc3c2)C1 CC(C)[*:1] [NH3+][C@H](c1cnc2ccccc2c1)[C@@H]1CN(CCO1)[*:1]
O=C(c1n[nH]nc1Nc1cccc(Cl)c1)N1CCC([NH+]2CCCCC2)CC1 Clc1cccc(c1)N[*:1] O=C(c1n[nH]nc1[*:1])N1CCC(CC1)[NH+]1CCCCC1
O=C(c1n[nH]nc1Nc1cccc(Cl)c1)N1CCC([NH+]2CCCCC2)CC1 Clc1cccc(c1)[*:1] O=C(c1n[nH]nc1N[*:1])N1CCC(CC1)[NH+]1CCCCC1
C[C@H](CCO)CNC(=O)Nc1ccncc1 OCC[*:1] C[C@H](CNC(=O)Nc1ccncc1)[*:1]
C[C@H](CCO)CNC(=O)Nc1ccncc1 C[C@H](CCO)[*:1] O=C(NC[*:1])Nc1ccncc1
C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1cccc(c1)[*:1]
CC(C)N(C(=O)c1cccc(Br)n1)c1ccc(F)cc1 CC(C)[*:1] O=C(c1cccc(Br)n1)N(c1ccc(F)cc1)[*:1]
CCCCCC[C@@H](C)n1c(CCl)nc2cccnc21 CCC[*:1] C[C@H](CCC[*:1])n1c(CCl)nc2cccnc21
CCCCCC[C@@H](C)n1c(CCl)nc2cccnc21 CCCC[*:1] C[C@H](CC[*:1])n1c(CCl)nc2cccnc21
CCCCCC[C@@H](C)n1c(CCl)nc2cccnc21 CCCCC[*:1] C[C@H](C[*:1])n1c(CCl)nc2cccnc21
CCCCCC[C@@H](C)n1c(CCl)nc2cccnc21 CCCCCC[*:1] C[C@@H](n1c(CCl)nc2cccnc21)[*:1]
CC(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)C1 CC(C)C(=O)N[*:1] C[C@H](NC(=O)N1CCC[C@H](C1)[*:1])c1ccc(Cl)s1
CC(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)C1 CC(C)[*:1] C[C@H](NC(=O)N1CCC[C@H](C1)NC(=O)[*:1])c1ccc(Cl)s1
CC(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)C1 Clc1ccc(s1)[*:1] CC(C)C(=O)N[C@@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
Cc1ccccc1NC(=O)NNC(=O)/C=C/c1cccc(F)c1 Cc1ccccc1[*:1] O=C(/C=C/c1cccc(F)c1)NNC(=O)N[*:1]
Cc1ccccc1NC(=O)NNC(=O)/C=C/c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccccc1NC(=O)NNC(=O)C=C[*:1]
COCCC(=O)N1CCc2cc(C(=O)[O-])ccc21 COCC[*:1] O=C([O-])c1ccc2c(c1)CCN2C(=O)[*:1]
COCCC(=O)N1CCc2cc(C(=O)[O-])ccc21 COC[*:1] O=C([O-])c1ccc2c(c1)CCN2C(=O)C[*:1]
COCCC(=O)N1CCc2cc(C(=O)[O-])ccc21 O=C([O-])[*:1] COCCC(=O)N1CCc2cc(ccc21)[*:1]
CC(C)[C@@H](NC(=O)c1cnsn1)c1cccs1 c1nsnc1[*:1] CC(C)[C@@H](NC(=O)[*:1])c1cccs1
CC(C)[C@@H](NC(=O)c1cnsn1)c1cccs1 CC(C)[*:1] O=C(N[C@@H](c1cccs1)[*:1])c1cnsn1
CC(C)[C@@H](NC(=O)c1cnsn1)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)c1cnsn1)[*:1]
COc1ccc(Cl)cc1S(=O)(=O)NCC1(c2cccs2)CCOCC1 c1csc(c1)[*:1] COc1ccc(Cl)cc1S(=O)(=O)NCC1(CCOCC1)[*:1]
COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1ccccc1OC)C3 COC[*:1] COc1ccccc1[C@H]1CC(=O)c2nnc3c(-c4ccccc4)c(nn3c2C1)[*:1]
COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1ccccc1OC)C3 COc1ccccc1[*:1] COCc1nn2c3C[C@@H](CC(=O)c3nnc2c1-c1ccccc1)[*:1]
COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1ccccc1OC)C3 c1ccc(cc1)[*:1] COCc1nn2c3C[C@H](CC(=O)c3nnc2c1[*:1])c1ccccc1OC
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccccc1C CC(C)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)O[*:1])[C@@H]2c1ccccc1C
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccccc1C COC(=O)[*:1] CC1NC2C[C@H](C)[C@@H](C(=O)C=2[C@H](C=1C(=O)OC(C)C)c1ccccc1C)[*:1]
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccccc1C CC(C)OC(=O)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C([C@@H]2c1ccccc1C)[*:1]
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccccc1C Cc1ccccc1[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC(C)C)[C@H]2[*:1]
N/C(=N/O)[C@H]1CCC[C@H]1NC(=O)[C@@H]1Cc2ccccc2S1 N/C(=N/O)[*:1] O=C(N[C@@H]1CCC[C@@H]1[*:1])[C@@H]1Cc2ccccc2S1
COc1ccc(CCn2cc(C(=O)[O-])ccc2=O)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)CCn1cc(ccc1=O)[*:1]
O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)N1CC[C@H](C1)[*:1]
CC(C)CCOc1ccccc1[C@]1(C)NC(=O)c2ccccc2N1 CC(C)[*:1] C[C@]1(NC(=O)c2ccccc2N1)c1ccccc1OCC[*:1]
CC(C)CCOc1ccccc1[C@]1(C)NC(=O)c2ccccc2N1 CC(C)C[*:1] C[C@]1(NC(=O)c2ccccc2N1)c1ccccc1OC[*:1]
CC(C)CCOc1ccccc1[C@]1(C)NC(=O)c2ccccc2N1 CC(C)CC[*:1] C[C@]1(NC(=O)c2ccccc2N1)c1ccccc1O[*:1]
CC(C)CCOc1ccccc1[C@]1(C)NC(=O)c2ccccc2N1 CC(C)CCO[*:1] C[C@]1(NC(=O)c2ccccc2N1)c1ccccc1[*:1]
COCc1cc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)no1 C1CO[C@@H](C1)C[*:1] COCc1cc(no1)C(=O)N(Cc1ccco1)[*:1]
COCc1cc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)no1 C1CO[C@@H](C1)[*:1] COCc1cc(no1)C(=O)N(Cc1ccco1)C[*:1]
COCc1cc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)no1 c1coc(c1)C[*:1] COCc1cc(no1)C(=O)N(C[C@@H]1CCCO1)[*:1]
COCc1cc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)no1 COC[*:1] O=C(c1cc(on1)[*:1])N(Cc1ccco1)C[C@@H]1CCCO1
COCc1cc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)no1 c1coc(c1)[*:1] COCc1cc(no1)C(=O)N(C[C@@H]1CCCO1)C[*:1]
C/C(=N/O)c1cc(F)ccc1OCC[C@H]1CCCO1 CC(=NO)[*:1] Fc1ccc(OCC[C@H]2CCCO2)c(c1)[*:1]
C/C(=N/O)c1cc(F)ccc1OCC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C/C(=N/O)c1cc(F)ccc1OCC[*:1]
C/C(=N/O)c1cc(F)ccc1OCC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C/C(=N/O)c1cc(F)ccc1OC[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)c1cn2cccnc2n1 CCc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)c1cn2cccnc2n1
CCOC(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1 CCOC(=O)[*:1] N#C[C@H](c1ccccc1)N1CCN(CC1)C[*:1]
CCOC(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1 CCOC(=O)C[*:1] N#C[C@H](c1ccccc1)N1CCN(CC1)[*:1]
CCOC(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)CN1CCN(CC1)[C@H](C#N)[*:1]
CC[C@@H](C)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 CC[C@@H](C)[*:1] O=C(/C=C/c1ccc(cc1)OCc1ccccc1)N[*:1]
CC[C@@H](C)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)/C=C/c1ccc(cc1)OC[*:1]
CC[C@@H](C)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC[C@@H](C)NC(=O)/C=C/c1ccc(cc1)O[*:1]
COc1ccc(CC(=O)/N=c2\[nH]c3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)CC(=O)/N=c1\[nH]c2cc(ccc2n1Cc1ccco1)[*:1]
COc1ccc(CC(=O)/N=c2\[nH]c3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1OC c1coc(c1)C[*:1] COc1ccc(cc1OC)CC(=O)/N=c1\[nH]c2cc(ccc2n1[*:1])C(F)(F)F
COc1ccc(CC(=O)/N=c2\[nH]c3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1OC COc1ccc(cc1OC)C[*:1] O=C(/N=c1\[nH]c2cc(ccc2n1Cc1ccco1)C(F)(F)F)[*:1]
COc1ccc(CC(=O)/N=c2\[nH]c3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)CC(=O)/N=c1\[nH]c2cc(ccc2n1C[*:1])C(F)(F)F
COc1ccc(CC(=O)/N=c2\[nH]c3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C[*:1])/N=c1\[nH]c2cc(ccc2n1Cc1ccco1)C(F)(F)F
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C1CC1 O=C(N[*:1])C1CC1 COc1ccc(cc1[*:1])C(=O)N1CCOCC1
COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C1CC1 C1CC1[*:1] COc1ccc(cc1NC(=O)[*:1])C(=O)N1CCOCC1
CCOc1ccc(C2=CCN(C(=O)Nc3cnccc3C)CC2)cc1 Cc1ccncc1[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)N[*:1]
CCOc1ccc(C2=CCN(C(=O)Nc3cnccc3C)CC2)cc1 CCO[*:1] Cc1ccncc1NC(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
CC(C)(C#N)NC(=O)CCCc1csc2ccccc12 CC(C)(C#N)[*:1] O=C(CCCc1csc2ccccc12)N[*:1]
Cc1cccc(CSCC(=O)N(C)Cc2ccccc2N2CCOCC2)c1 Cc1cccc(c1)C[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)CS[*:1]
Cc1cccc(CSCC(=O)N(C)Cc2ccccc2N2CCOCC2)c1 Cc1cccc(c1)CS[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)C[*:1]
Cc1cccc(CSCC(=O)N(C)Cc2ccccc2N2CCOCC2)c1 Cc1cccc(c1)[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)CSC[*:1]
Cc1cccc(CSCC(=O)N(C)Cc2ccccc2N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)CSCC(=O)N(C)Cc1ccccc1[*:1]
CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)[*:1]
CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](O)[*:1]
CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](O)c1ccccc1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCCCN1C(=O)O[*:1])[C@@H](O)c1ccccc1
CN(C)S(=O)(=O)c1ccc(Sc2nnc3ccccn23)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(C)S(=O)(=O)c1ccc(Sc2nnc3ccccn23)c(c1)[*:1]
CN(C)S(=O)(=O)c1ccc(Sc2nnc3ccccn23)c([N+](=O)[O-])c1 CN(C)S(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1Sc1nnc2ccccn12)[*:1]
CC(C)C(=O)NCCNC(=O)c1cc2c(s1)CC[C@@H](C)C2 CC(C)C(=O)NC[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)NC[*:1]
CC(C)C(=O)NCCNC(=O)c1cc2c(s1)CC[C@@H](C)C2 CC(C)[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)NCCNC(=O)[*:1]
CC(C)C(=O)NCCNC(=O)c1cc2c(s1)CC[C@@H](C)C2 CC(C)C(=O)N[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)NCC[*:1]
CC(C)c1noc([C@@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)n1 CC(C)[*:1] CC(C)[C@@H]([NH2+][C@H](C)c1nc(no1)[*:1])c1ccccc1
CC(C)c1noc([C@@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)n1 c1ccc(cc1)[*:1] CC(C)c1noc(n1)[C@@H](C)[NH2+][C@@H](C(C)C)[*:1]
CC(C)c1noc([C@@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)n1 CC(C)[*:1] CC(C)c1noc(n1)[C@@H](C)[NH2+][C@@H](c1ccccc1)[*:1]
N#Cc1ccc(F)c(CNC(=O)NCCc2cccc(O)c2)c1 Oc1cccc(c1)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)NCC[*:1]
CCC[C@H](O)c1ccn(Cc2cnn(CC)c2)c1 CCC[C@H](O)[*:1] CCn1cc(cn1)Cn1ccc(c1)[*:1]
CCC[C@H](O)c1ccn(Cc2cnn(CC)c2)c1 CCC[*:1] CCn1cc(cn1)Cn1ccc(c1)[C@@H](O)[*:1]
c1ccc(OCc2noc(C[C@H]3C[NH2+]CCO3)n2)cc1 c1ccc(cc1)[*:1] C1CO[C@H](C[NH2+]1)Cc1nc(CO[*:1])no1
Cc1oc(C(=O)NCC2(O)CCCCCC2)cc1S(=O)(=O)N(C)C OC1(CCCCCC1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)NC[*:1]
Cc1oc(C(=O)NCC2(O)CCCCCC2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)NCC1(O)CCCCCC1
CCC(=O)Nc1c[nH+]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C(=O)[O-])c1 CCC(=O)N[*:1] O=C([O-])c1cc(c[nH+]c1N1CCN(CC1)C(c1ccccc1)c1ccccc1)[*:1]
CCC(=O)Nc1c[nH+]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C(=O)[O-])c1 O=C([O-])[*:1] CCC(=O)Nc1c[nH+]c(c(c1)[*:1])N1CCN(CC1)C(c1ccccc1)c1ccccc1
CCC(=O)Nc1c[nH+]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C(=O)[O-])c1 c1ccc(cc1)[*:1] CCC(=O)Nc1c[nH+]c(c(c1)C(=O)[O-])N1CCN(CC1)C(c1ccccc1)[*:1]
COC(=O)c1cc(CNC(=O)c2ccnc3ccccc23)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)c1ccnc2ccccc12
COc1ccc(C)cc1CCNC(=O)C1c2ccccc2Oc2ccccc21 COc1ccc(C)cc1[*:1] O=C(NCC[*:1])C1c2ccccc2Oc2ccccc21
CCOc1ccc(OCC)c(NC(=O)/C=C/c2ccc(F)cc2)c1 CCO[*:1] CCOc1ccc(c(c1)NC(=O)/C=C/c1ccc(F)cc1)[*:1]
CCOc1ccc(OCC)c(NC(=O)/C=C/c2ccc(F)cc2)c1 CCO[*:1] CCOc1ccc(cc1NC(=O)/C=C/c1ccc(F)cc1)[*:1]
CCOc1ccc(OCC)c(NC(=O)/C=C/c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CCOc1ccc(OCC)c(c1)NC(=O)C=C[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(-c5noc(C6CCC6)n5)cc4)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1ccc(cc1)-c1noc(n1)C1CCC1
Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(-c5noc(C6CCC6)n5)cc4)CC3)CC2=O)cc1 C1CC(C1)c1nc(no1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(-c5noc(C6CCC6)n5)cc4)CC3)CC2=O)cc1 C1CC(C1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCN(CC1)c1ccc(cc1)-c1noc(n1)[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1Cl Clc1ccccc1[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[*:1]
O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(/C=C/c1ccc(cc1)-n1ccnc1)N1CCC[C@@H]1[*:1]
O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCC[C@H]1CN1CCOCC1 c1cn(cn1)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCC[C@H]1CN1CCOCC1
O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(/C=C/c1ccc(cc1)-n1ccnc1)N1CCC[C@H]1C[*:1]
CC(=O)Oc1ccc(N2CC=C(c3ccccc3)CC2)cc1 CC(=O)O[*:1] C1CN(CCC=1c1ccccc1)c1ccc(cc1)[*:1]
CC(=O)Oc1ccc(N2CC=C(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)Oc1ccc(cc1)N1CC=C(CC1)[*:1]
CCc1nn(C)cc1NC(=O)C[C@@H](CC)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)C[C@@H](CC)[*:1]
O=S1(=O)CC[C@@H](N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 FC(F)(F)[*:1] O=S1(=O)CC[C@H](C1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(N2C[C@H](C(=O)Nc3cc(OC)ccc3OC)CC2=O)cc1 CCO[*:1] COc1ccc(OC)c(c1)NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCOc1ccc(N2C[C@H](C(=O)Nc3cc(OC)ccc3OC)CC2=O)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCN(CC(C)C)C(=O)c1cnn(C(C)C)c1C CC(C)[*:1] CCN(C[*:1])C(=O)c1cnn(c1C)C(C)C
CCN(CC(C)C)C(=O)c1cnn(C(C)C)c1C CC(C)[*:1] CCN(CC(C)C)C(=O)c1cnn(c1C)[*:1]
CCN(CC(C)C)C(=O)c1cnn(C(C)C)c1C CC(C)C[*:1] CCN(C(=O)c1cnn(c1C)C(C)C)[*:1]
CC1(C)C(=O)N(c2cccc(OCC#N)c2)S1(=O)=O N#CCO[*:1] CC1(C)C(=O)N(c2cccc(c2)[*:1])S1(=O)=O
CC1(C)C(=O)N(c2cccc(OCC#N)c2)S1(=O)=O N#CC[*:1] CC1(C)C(=O)N(c2cccc(c2)O[*:1])S1(=O)=O
CCOC(=O)COc1cccc(NC(=O)C(C)(C)F)c1 CCOC(=O)[*:1] CC(C)(F)C(=O)Nc1cccc(c1)OC[*:1]
CCOC(=O)COc1cccc(NC(=O)C(C)(C)F)c1 CC(C)(F)[*:1] CCOC(=O)COc1cccc(c1)NC(=O)[*:1]
CCOC(=O)COc1cccc(NC(=O)C(C)(C)F)c1 CCOC(=O)C[*:1] CC(C)(F)C(=O)Nc1cccc(c1)O[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[*:1]
C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)C1CCCC1 C1CCC(C1)[*:1] C[C@@H]([NH2+]CCc1nc(cs1)-c1ccccn1)[*:1]
C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)C1CCCC1 c1ccc(nc1)[*:1] C[C@@H]([NH2+]CCc1nc(cs1)[*:1])C1CCCC1
O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(-c2ccc(F)cc2)o1 FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(o1)-c1ccc(F)cc1
O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)C(F)(F)F)c1ccc(o1)[*:1]
CC(=O)NCCCCCC(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C CC(=O)NCCCC[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)C[*:1]
CC(=O)NCCCCCC(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] CC(=O)NCCCCCC(=O)N1[C@@H](C)CO[C@@H]([C@@H]1C)[*:1]
CC(=O)NCCCCCC(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C CC(=O)NCC[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)CCC[*:1]
CC(=O)NCCCCCC(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C CC(=O)N[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)CCCCC[*:1]
CC(=O)NCCCCCC(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C CC(=O)NC[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)CCCC[*:1]
CC(=O)NCCCCCC(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C CC(=O)NCCC[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)CC[*:1]
COc1ccccc1N1CCN(C(=O)c2ccc3nc(C4CC4)oc3c2)[C@@H](C)C1 C1CC1[*:1] COc1ccccc1N1CCN(C(=O)c2ccc3nc(oc3c2)[*:1])[C@@H](C)C1
COc1ccccc1N1CCN(C(=O)c2ccc3nc(C4CC4)oc3c2)[C@@H](C)C1 COc1ccccc1[*:1] C[C@H]1CN(CCN1C(=O)c1ccc2nc(oc2c1)C1CC1)[*:1]
CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1cc(Cl)ccc1Cl C1CO[C@H](C1)C[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1cc(Cl)ccc1Cl
CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1cc(Cl)ccc1Cl C1CO[C@H](C1)[*:1] CS(=O)(=O)N(CC(=O)NC[*:1])c1cc(Cl)ccc1Cl
O=C(N[C@H]1CCc2c(F)cccc21)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] O=C(N[C@H]1CCc2c(F)cccc21)[C@@H]1CCCN(C1)C(=O)N[*:1]
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccncc1F Fc1cnccc1[*:1] C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[*:1]
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccncc1F Oc1ccc(cc1)[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccncc1F
C[C@H](Nc1cc(Cl)ccc1C#N)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@H](Nc1cc(Cl)ccc1C#N)c1cccc(c1)[*:1]
CC[C@@H](C)C(=O)Nc1nnc(CCNC(=O)c2cccc(Br)c2)s1 Brc1cccc(c1)[*:1] CC[C@@H](C)C(=O)Nc1nnc(CCNC(=O)[*:1])s1
CC[C@@H](C)C(=O)Nc1nnc(CCNC(=O)c2cccc(Br)c2)s1 CC[C@@H](C)C(=O)N[*:1] O=C(NCCc1nnc(s1)[*:1])c1cccc(Br)c1
CC[C@@H](C)C(=O)Nc1nnc(CCNC(=O)c2cccc(Br)c2)s1 CC[C@@H](C)[*:1] O=C(NCCc1nnc(NC(=O)[*:1])s1)c1cccc(Br)c1
CSC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CSC[C@H](C)NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
CSC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 Fc1cccc(c1)O[*:1] CSC[C@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CSC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 CSC[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)Oc1cccc(F)c1)[*:1]
CCC[C@@H](C)C[C@H](C[NH2+]C)c1cccc(F)c1 CCC[*:1] C[NH2+]C[C@@H](C[C@H](C)[*:1])c1cccc(F)c1
CCC[C@@H](C)C[C@H](C[NH2+]C)c1cccc(F)c1 CCC[C@@H](C)[*:1] C[NH2+]C[C@@H](C[*:1])c1cccc(F)c1
CNC(=S)N(Cc1ccccc1)Cc1ccccn1 c1ccc(cc1)[*:1] CNC(=S)N(Cc1ccccn1)C[*:1]
CNC(=S)N(Cc1ccccc1)Cc1ccccn1 c1ccc(nc1)[*:1] CNC(=S)N(Cc1ccccc1)C[*:1]
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)NCc1ccco1 c1coc(c1)[*:1] Cc1nn(-c2ccc(cc2)[N+](=O)[O-])c(C)c1C(=O)NC[*:1]
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)NCc1ccco1 O=[N+]([O-])[*:1] Cc1nn(-c2ccc(cc2)[*:1])c(C)c1C(=O)NCc1ccco1
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)NCc1ccco1 c1coc(c1)C[*:1] Cc1nn(-c2ccc(cc2)[N+](=O)[O-])c(C)c1C(=O)N[*:1]
Fc1ccc(Cc2noc(-c3ccc(NCc4ccon4)nc3)n2)cc1 c1cc(no1)[*:1] Fc1ccc(cc1)Cc1noc(n1)-c1ccc(nc1)NC[*:1]
Fc1ccc(Cc2noc(-c3ccc(NCc4ccon4)nc3)n2)cc1 c1cc(CN[*:1])no1 Fc1ccc(cc1)Cc1noc(n1)-c1ccc(nc1)[*:1]
Fc1ccc(Cc2noc(-c3ccc(NCc4ccon4)nc3)n2)cc1 Fc1ccc(cc1)C[*:1] c1cc(CNc2ccc(cn2)-c2nc(no2)[*:1])no1
Fc1ccc(Cc2noc(-c3ccc(NCc4ccon4)nc3)n2)cc1 c1cc(C[*:1])no1 Fc1ccc(cc1)Cc1noc(n1)-c1ccc(nc1)N[*:1]
Fc1ccc(Cc2noc(-c3ccc(NCc4ccon4)nc3)n2)cc1 Fc1ccc(cc1)[*:1] c1cc(CNc2ccc(cn2)-c2nc(C[*:1])no2)no1
O=c1[nH]c(N2CCC[C@H]3CCC[C@@H]32)nc2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]c(nc2c1cnn2[*:1])N1CCC[C@H]2CCC[C@@H]21
Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccc(=O)oc2c1 Cc1ccccc1[*:1] C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N[*:1]
COC(=O)C[C@H](NC(=O)N[C@H](C)c1ccccc1F)c1ccccc1Cl COC(=O)C[*:1] C[C@@H](NC(=O)N[C@H](c1ccccc1Cl)[*:1])c1ccccc1F
COC(=O)C[C@H](NC(=O)N[C@H](C)c1ccccc1F)c1ccccc1Cl Fc1ccccc1[*:1] COC(=O)C[C@H](NC(=O)N[C@H](C)[*:1])c1ccccc1Cl
COC(=O)C[C@H](NC(=O)N[C@H](C)c1ccccc1F)c1ccccc1Cl COC(=O)[*:1] C[C@@H](NC(=O)N[C@@H](C[*:1])c1ccccc1Cl)c1ccccc1F
COC(=O)C[C@H](NC(=O)N[C@H](C)c1ccccc1F)c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)C[C@H](NC(=O)N[C@H](C)c1ccccc1F)[*:1]
COc1ccc(F)c(NCC(=O)NC2CCC(C)CC2)c1 CC1CCC(CC1)[*:1] COc1ccc(F)c(c1)NCC(=O)N[*:1]
FC(F)(F)c1cccc([C@H]([NH2+]CCn2ccnc2)C2CC2)c1 c1cn(cn1)C[*:1] FC(F)(F)c1cccc(c1)[C@H]([NH2+]C[*:1])C1CC1
FC(F)(F)c1cccc([C@H]([NH2+]CCn2ccnc2)C2CC2)c1 C1CC1[*:1] FC(F)(F)c1cccc(c1)[C@H]([NH2+]CCn1ccnc1)[*:1]
FC(F)(F)c1cccc([C@H]([NH2+]CCn2ccnc2)C2CC2)c1 c1cn(cn1)[*:1] FC(F)(F)c1cccc(c1)[C@H]([NH2+]CC[*:1])C1CC1
FC(F)(F)c1cccc([C@H]([NH2+]CCn2ccnc2)C2CC2)c1 c1cn(cn1)CC[*:1] FC(F)(F)c1cccc(c1)[C@H]([NH2+][*:1])C1CC1
FC(F)(F)c1cccc([C@H]([NH2+]CCn2ccnc2)C2CC2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])[C@H]([NH2+]CCn1ccnc1)C1CC1
Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F CC(C)N(C)S(=O)(=O)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(ccc1F)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F Cc1nn(C)cc1[*:1] CC(C)N(C)S(=O)(=O)c1ccc(F)c(c1)C(=O)N[C@@H](C)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F CC(C)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(ccc1F)S(=O)(=O)N(C)[*:1]
CC1(C)CCC[C@@H]1NC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 CC1(C)CCC[C@H]1[*:1] O=C(N[*:1])[C@H]1CCCN1C1CC[NH2+]CC1
OCCC[NH+](C1CCSCC1)C(c1ccccc1)c1ccccc1 OCC[*:1] c1ccc(cc1)C(c1ccccc1)[NH+](C[*:1])C1CCSCC1
OCCC[NH+](C1CCSCC1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] OCCC[NH+](C1CCSCC1)C(c1ccccc1)[*:1]
C[C@H](Cc1ccccc1F)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 NC(=O)[*:1] C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C[*:1])C1CCCCC1
C[C@H](Cc1ccccc1F)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](Cc1ccccc1F)C(=O)N[C@@H](CC(N)=O)[*:1]
C[C@H](Cc1ccccc1F)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 Fc1ccccc1C[*:1] C[C@H](C(=O)N[C@@H](CC(N)=O)C1CCCCC1)[*:1]
C[C@H](Cc1ccccc1F)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 Fc1ccccc1[*:1] C[C@H](C[*:1])C(=O)N[C@@H](CC(N)=O)C1CCCCC1
C[C@H](Cc1ccccc1F)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 NC(=O)C[*:1] C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C1CCCCC1)[*:1]
Cc1ccc2c(c1)=C[C@@H](CN(C(=O)c1ccc(C(C)(C)C)cc1)C(C)C)C(=O)[NH+]=2 CC(C)(C)[*:1] Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C(=O)c1ccc(cc1)[*:1])C(C)C
Cc1ccc2c(c1)=C[C@@H](CN(C(=O)c1ccc(C(C)(C)C)cc1)C(C)C)C(=O)[NH+]=2 CC(C)[*:1] Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C(=O)c1ccc(cc1)C(C)(C)C)[*:1]
C=C(C)CCc1ccccc1C(=O)OCC C=C(C)[*:1] CCOC(=O)c1ccccc1CC[*:1]
C=C(C)CCc1ccccc1C(=O)OCC C=C(C)C[*:1] CCOC(=O)c1ccccc1C[*:1]
C=C(C)CCc1ccccc1C(=O)OCC C=C(C)CC[*:1] CCOC(=O)c1ccccc1[*:1]
C=C(C)CCc1ccccc1C(=O)OCC CCOC(=O)[*:1] C=C(C)CCc1ccccc1[*:1]
Cc1cc(C)c(C(=O)Nc2nc(-c3cnn(C)c3)cs2)c(C)c1 Cn1cc(cn1)[*:1] Cc1cc(C)c(C(=O)Nc2nc(cs2)[*:1])c(C)c1
O=S(=O)(c1ccccc1)N1CCC2=NN=C(c3cccc(F)c3)[C@H]2C1 Fc1cccc(c1)[*:1] O=S(=O)(c1ccccc1)N1CCC2=NN=C([C@H]2C1)[*:1]
O=S(=O)(c1ccccc1)N1CCC2=NN=C(c3cccc(F)c3)[C@H]2C1 c1ccc(cc1)[*:1] O=S(=O)(N1CCC2=NN=C(c3cccc(F)c3)[C@H]2C1)[*:1]
C[C@@H](NC(=O)NCCc1ccccn1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)NCCc1ccccn1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)NCCc1ccccn1)c1ccc(S(N)(=O)=O)cc1 c1ccc(C[*:1])nc1 C[C@@H](NC(=O)NC[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H](NC(=O)NCCc1ccccn1)c1ccc(S(N)(=O)=O)cc1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H](NC(=O)NCCc1ccccn1)c1ccc(S(N)(=O)=O)cc1 c1ccc(CC[*:1])nc1 C[C@@H](NC(=O)N[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc(N)cc1 C[C@@H]1C[C@H]1[*:1] C[C@H](NC(=O)[*:1])c1ccc(N)cc1
Cc1cc(F)ccc1CCNC(=O)NNC(=O)Cc1ccccn1 c1ccc(C[*:1])nc1 Cc1cc(F)ccc1CCNC(=O)NNC(=O)[*:1]
Cc1cc(F)ccc1CCNC(=O)NNC(=O)Cc1ccccn1 c1ccc(nc1)[*:1] Cc1cc(F)ccc1CCNC(=O)NNC(=O)C[*:1]
Cc1cc(F)ccc1CCNC(=O)NNC(=O)Cc1ccccn1 Cc1cc(F)ccc1[*:1] O=C(Cc1ccccn1)NNC(=O)NCC[*:1]
COc1ccccc1N1C[C@@H]([C@@H]2N=CC(c3cccnc3)=N2)CC1=O c1cncc(c1)[*:1] COc1ccccc1N1C[C@H](CC1=O)[C@@H]1N=CC(=N1)[*:1]
COc1ccccc1N1C[C@@H]([C@@H]2N=CC(c3cccnc3)=N2)CC1=O COc1ccccc1[*:1] O=C1C[C@@H](CN1[*:1])[C@@H]1N=CC(=N1)c1cccnc1
CC/C(=N\NC(=O)c1ccco1)c1ccc(C)cc1 c1coc(c1)[*:1] CC/C(=N\NC(=O)[*:1])c1ccc(C)cc1
CC[NH2+][C@@H](C)c1ccc(SC2COC2)cc1Cl C1OCC1[*:1] CC[NH2+][C@@H](C)c1ccc(cc1Cl)S[*:1]
CC[NH2+][C@@H](C)c1ccc(SC2COC2)cc1Cl C1OCC1S[*:1] CC[NH2+][C@@H](C)c1ccc(cc1Cl)[*:1]
CCC1(CC)CCN(S(=O)(=O)c2cnc(C)[nH]2)C1 Cc1ncc([nH]1)[*:1] CCC1(CC)CCN(C1)S(=O)(=O)[*:1]
CCNC(=O)C1(c2ccc(NS(=O)(=O)CC)cc2)CCC1 CCS(=O)(=O)N[*:1] CCNC(=O)C1(CCC1)c1ccc(cc1)[*:1]
CCNC(=O)C1(c2ccc(NS(=O)(=O)CC)cc2)CCC1 CCNC(=O)[*:1] CCS(=O)(=O)Nc1ccc(cc1)C1(CCC1)[*:1]
CC[C@H](NC(=O)C1=Cc2cc(F)ccc2OC1)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)C1=Cc2cc(F)ccc2OC1)[*:1]
COCCN(C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O COC[*:1] CN(CN1C(=O)c2cccc(c2C1=O)[N+](=O)[O-])C[*:1]
COCCN(C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O O=[N+]([O-])[*:1] COCCN(C)CN1C(=O)c2cccc(c2C1=O)[*:1]
COCCN(C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O COCCN(C)[*:1] O=C1c2cccc(c2C(=O)N1C[*:1])[N+](=O)[O-]
COCCN(C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O COCC[*:1] CN(CN1C(=O)c2cccc(c2C1=O)[N+](=O)[O-])[*:1]
COCCN(C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O COCCN(C)C[*:1] O=C1c2cccc(c2C(=O)N1[*:1])[N+](=O)[O-]
CN(C)c1nnc(S(=O)(=O)Cc2coc(-c3ccc(F)c(F)c3)n2)s1 CN(C)c1nnc(s1)[*:1] O=S(=O)(Cc1coc(n1)-c1ccc(F)c(F)c1)[*:1]
CN(C)c1nnc(S(=O)(=O)Cc2coc(-c3ccc(F)c(F)c3)n2)s1 Fc1ccc(cc1F)[*:1] CN(C)c1nnc(s1)S(=O)(=O)Cc1coc(n1)[*:1]
CN(C)c1nnc(S(=O)(=O)Cc2coc(-c3ccc(F)c(F)c3)n2)s1 CN(C)[*:1] O=S(=O)(Cc1coc(n1)-c1ccc(F)c(F)c1)c1nnc(s1)[*:1]
COCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)OC)cc1)C2=O COC(=O)[*:1] COCCNC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)[*:1]
COCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)OC)cc1)C2=O COCCNC(=O)[*:1] COC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[*:1]
COCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)OC)cc1)C2=O COC[*:1] COC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NC[*:1]
COCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)OC)cc1)C2=O COCC[*:1] COC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C)c1cccc(Cl)c1Cl CS(=O)(=O)N[*:1] C[C@H](C(=O)N[C@H](C)c1cccc(Cl)c1Cl)[*:1]
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccccc1F Fc1ccccc1[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[*:1]
CSC[C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C CSC[C@@H](C)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+](C)C
CSC[C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C CSC[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)[C@H](C)[*:1])[NH+](C)C
CC(C)c1ccccc1NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] CC(C)c1ccccc1NC(=O)C(=O)NC1CC[NH+](CC1)[*:1]
CC(C)c1ccccc1NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)[*:1] CC(C)c1ccccc1NC(=O)C(=O)NC1CC[NH+](CC1)C[*:1]
CC(C)c1ccccc1NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 CC(C)c1ccccc1[*:1] O=C(NC1CC[NH+](CC1)CC1CCCCC1)C(=O)N[*:1]
CC(C)c1ccccc1NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 CC(C)[*:1] O=C(Nc1ccccc1[*:1])C(=O)NC1CC[NH+](CC1)CC1CCCCC1
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)Cc1ccc(C)cc1C CC[C@H](C)[*:1] Cc1ccc(C[C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[*:1])c(C)c1
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)Cc1ccc(C)cc1C Cc1ccc(C[*:1])c(C)c1 CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)[*:1]
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)Cc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C[*:1]
CC(C)c1nc(NC(=O)N2CCC(N3CCCCC3=O)CC2)n(C)n1 O=C1CCCCN1[*:1] CC(C)c1nc(NC(=O)N2CCC(CC2)[*:1])n(C)n1
CC(C)c1nc(NC(=O)N2CCC(N3CCCCC3=O)CC2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)N1CCC(CC1)N1CCCCC1=O)[*:1]
Clc1ccc(SCCCSc2ncccn2)cc1 c1cnc(nc1)[*:1] Clc1ccc(cc1)SCCCS[*:1]
N#Cc1cc([N+](=O)[O-])ccc1NCc1ccon1 O=[N+]([O-])[*:1] N#Cc1cc(ccc1NCc1ccon1)[*:1]
N#Cc1cc([N+](=O)[O-])ccc1NCc1ccon1 c1cc(C[*:1])no1 N#Cc1cc(ccc1N[*:1])[N+](=O)[O-]
N#Cc1cc([N+](=O)[O-])ccc1NCc1ccon1 c1cc(no1)[*:1] N#Cc1cc(ccc1NC[*:1])[N+](=O)[O-]
COC(=O)[C@@H]1[NH+]=c2cc(OC)ccc2=C1NC(=O)[C@H](C)[NH+]1CCCCC1 COC(=O)[*:1] COc1ccc2=C(NC(=O)[C@H](C)[NH+]3CCCCC3)[C@@H]([NH+]=c2c1)[*:1]
CC(C)C[C@@H](NC(=O)c1cnccn1)c1nnc2n1CC[NH2+]CC2 CC(C)[*:1] O=C(N[C@H](C[*:1])c1nnc2CC[NH2+]CCn21)c1cnccn1
CC(C)C[C@@H](NC(=O)c1cnccn1)c1nnc2n1CC[NH2+]CC2 c1cnc(cn1)[*:1] CC(C)C[C@@H](NC(=O)[*:1])c1nnc2CC[NH2+]CCn21
CC(C)C[C@@H](NC(=O)c1cnccn1)c1nnc2n1CC[NH2+]CC2 CC(C)C[*:1] O=C(N[C@@H](c1nnc2CC[NH2+]CCn21)[*:1])c1cnccn1
CCc1cn[nH]c1C1CCN(C(=O)[C@@H](C)n2cnc3ccccc32)CC1 CCc1cn[nH]c1[*:1] C[C@H](C(=O)N1CCC(CC1)[*:1])n1cnc2ccccc21
O=C(c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1)N1CCOCC1 Clc1ccccc1C[*:1] O=C(c1ccc(C[S@@](=O)[*:1])o1)N1CCOCC1
O=C(c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=[S@](Cc1ccc(o1)[*:1])Cc1ccccc1Cl
O=C(c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1)N1CCOCC1 Clc1ccccc1[*:1] O=C(c1ccc(C[S@@](=O)C[*:1])o1)N1CCOCC1
C=C(C)C[C@@H](CC(C)C)[NH2+]CCC C=C(C)[*:1] CCC[NH2+][C@H](CC(C)C)C[*:1]
C=C(C)C[C@@H](CC(C)C)[NH2+]CCC C=C(C)C[*:1] CCC[NH2+][C@H](CC(C)C)[*:1]
C=C(C)C[C@@H](CC(C)C)[NH2+]CCC CC(C)[*:1] C=C(C)C[C@@H](C[*:1])[NH2+]CCC
C=C(C)C[C@@H](CC(C)C)[NH2+]CCC CC(C)C[*:1] C=C(C)C[C@@H]([NH2+]CCC)[*:1]
C=C(C)C[C@@H](CC(C)C)[NH2+]CCC CCC[*:1] C=C(C)C[C@@H](CC(C)C)[NH2+][*:1]
Cc1ccc(CNC(=O)N2CCOC[C@H]2C2CC2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] Cc1ccc(CNC(=O)N2CCOC[C@H]2C2CC2)c(c1)O[*:1]
Cc1ccc(CNC(=O)N2CCOC[C@H]2C2CC2)c(OC[C@@H]2CCCO2)c1 C1CC1[*:1] Cc1ccc(CNC(=O)N2CCOC[C@@H]2[*:1])c(c1)OC[C@@H]1CCCO1
Cc1ccc(CNC(=O)N2CCOC[C@H]2C2CC2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(CNC(=O)N2CCOC[C@H]2C2CC2)c(c1)OC[*:1]
Cc1ccc(CNC(=O)N2CCOC[C@H]2C2CC2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] Cc1ccc(CNC(=O)N2CCOC[C@H]2C2CC2)c(c1)[*:1]
O=C(CSc1n[nH]c(N/N=C/c2cccc(Br)c2)n1)Nc1nc2ccccc2s1 Brc1cccc(c1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])Nc1nc2ccccc2s1
O=C(CSc1n[nH]c(N/N=C/c2cccc(Br)c2)n1)Nc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1cccc(Br)c1)N[*:1]
Cc1cc(NC(=O)[C@@H](C)S(C)(=O)=O)ccc1O[C@@H](C)CC(C)C CS(=O)(=O)[*:1] Cc1cc(ccc1O[C@@H](C)CC(C)C)NC(=O)[C@@H](C)[*:1]
Cc1cc(NC(=O)[C@@H](C)S(C)(=O)=O)ccc1O[C@@H](C)CC(C)C C[C@@H](S(C)(=O)=O)[*:1] Cc1cc(ccc1O[C@@H](C)CC(C)C)NC(=O)[*:1]
Cc1cc(NC(=O)[C@@H](C)S(C)(=O)=O)ccc1O[C@@H](C)CC(C)C CC(C)[*:1] Cc1cc(ccc1O[C@@H](C)C[*:1])NC(=O)[C@@H](C)S(C)(=O)=O
Cc1cc(NC(=O)[C@@H](C)S(C)(=O)=O)ccc1O[C@@H](C)CC(C)C CC(C)C[C@H](C)[*:1] Cc1cc(ccc1O[*:1])NC(=O)[C@@H](C)S(C)(=O)=O
Cc1cc(NC(=O)[C@@H](C)S(C)(=O)=O)ccc1O[C@@H](C)CC(C)C CC(C)C[C@H](C)O[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@@H](C)S(C)(=O)=O
Cc1cc(NC(=O)[C@@H](C)S(C)(=O)=O)ccc1O[C@@H](C)CC(C)C CC(C)C[*:1] Cc1cc(ccc1O[C@@H](C)[*:1])NC(=O)[C@@H](C)S(C)(=O)=O
COc1ccc(OC)c(C(=O)/C=C/c2ccccc2OC(=O)N2CCOCC2)c1 O=C(O[*:1])N1CCOCC1 COc1ccc(OC)c(c1)C(=O)/C=C/c1ccccc1[*:1]
COC(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCCCC3)nc2)C1 C1CCN(CC1)[*:1] COC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(nc1)[*:1]
COCc1cccc(NC(=O)NCCNC(=O)C2CC2)c1 C1CC1[*:1] COCc1cccc(c1)NC(=O)NCCNC(=O)[*:1]
COCc1cccc(NC(=O)NCCNC(=O)C2CC2)c1 COC[*:1] O=C(NCCNC(=O)C1CC1)Nc1cccc(c1)[*:1]
COCc1cccc(NC(=O)NCCNC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 COCc1cccc(c1)NC(=O)NCC[*:1]
COCc1cccc(NC(=O)NCCNC(=O)C2CC2)c1 O=C(NC[*:1])C1CC1 COCc1cccc(c1)NC(=O)NC[*:1]
C[C@H]1C[C@@H]([NH3+])CN(Cc2ccccc2C2CC2)C1 C1CC1[*:1] C[C@H]1C[C@@H]([NH3+])CN(Cc2ccccc2[*:1])C1
COc1ccc(OCc2ccccn2)c(CN2CCC[C@@H](c3nccs3)C2)c1 c1csc(n1)[*:1] COc1ccc(OCc2ccccn2)c(c1)CN1CCC[C@@H](C1)[*:1]
COc1ccc(OCc2ccccn2)c(CN2CCC[C@@H](c3nccs3)C2)c1 c1ccc(C[*:1])nc1 COc1ccc(O[*:1])c(c1)CN1CCC[C@H](C1)c1nccs1
COc1ccc(OCc2ccccn2)c(CN2CCC[C@@H](c3nccs3)C2)c1 c1ccc(nc1)[*:1] COc1ccc(OC[*:1])c(c1)CN1CCC[C@H](C1)c1nccs1
COc1ccc(OCc2ccccn2)c(CN2CCC[C@@H](c3nccs3)C2)c1 c1ccc(CO[*:1])nc1 COc1ccc(c(c1)CN1CCC[C@H](C1)c1nccs1)[*:1]
CC(C)c1cc(N(C)Cc2cccnc2)nc(C(C)C)[nH+]1 c1cncc(c1)[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N(C)C[*:1]
CC(C)c1cc(N(C)Cc2cccnc2)nc(C(C)C)[nH+]1 c1cncc(c1)C[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N(C)[*:1]
CC(C)c1cc(N(C)Cc2cccnc2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1cc(nc([nH+]1)[*:1])N(C)Cc1cccnc1
CC(C)c1cc(N(C)Cc2cccnc2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1nc(cc([nH+]1)[*:1])N(C)Cc1cccnc1
CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc2c(c1)CCC2 Fc1ccccc1[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2CCCc2c1
CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc2c(c1)CCC2 Fc1ccccc1C[*:1] CN(C(=O)C(=O)Nc1ccc2CCCc2c1)[*:1]
CC[C@H](Nc1cccc(OC)c1)C(=O)N1CCCn2nc(C#N)cc2C1 COc1cccc(c1)[*:1] CC[C@H](N[*:1])C(=O)N1CCCn2nc(C#N)cc2C1
CC(C)C[C@@](C)(O)CNc1nc2ccc([N+](=O)[O-])cc2[nH]1 O=[N+]([O-])[*:1] CC(C)C[C@@](C)(O)CNc1nc2ccc(cc2[nH]1)[*:1]
CC(C)C[C@@](C)(O)CNc1nc2ccc([N+](=O)[O-])cc2[nH]1 CC(C)C[*:1] C[C@@](O)(CNc1nc2ccc(cc2[nH]1)[N+](=O)[O-])[*:1]
CC(C)C[C@@](C)(O)CNc1nc2ccc([N+](=O)[O-])cc2[nH]1 CC(C)[*:1] C[C@](O)(CNc1nc2ccc(cc2[nH]1)[N+](=O)[O-])C[*:1]
ClCCn1cc(-c2ccccc2)cn1 ClCC[*:1] c1ccc(cc1)-c1cnn(c1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2C)C1 COC(=O)[*:1] Cc1cc(F)ccc1C(=O)N1CCC[C@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2C)C1 COC(=O)C(C)(C)[*:1] Cc1cc(F)ccc1C(=O)N1CCC[C@H](C1)[*:1]
CC(=O)c1ccc(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)Nc1ccc(cc1)O[C@H]1CCOC1
CON1C(=O)C(c2cccs2)=C2SCC=C21 c1csc(c1)[*:1] CON1C(=O)C(=C2SCC=C21)[*:1]
CC(C)CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1 CC(C)CCO[*:1] O=C(NC[C@H]1CCCO1)c1ccc(cc1)[*:1]
CC(C)CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] CC(C)CCOc1ccc(cc1)C(=O)N[*:1]
CC(C)CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1 CC(C)C[*:1] O=C(NC[C@H]1CCCO1)c1ccc(cc1)OC[*:1]
CC(C)CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1 CC(C)[*:1] O=C(NC[C@H]1CCCO1)c1ccc(cc1)OCC[*:1]
CC(C)CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1 CC(C)CC[*:1] O=C(NC[C@H]1CCCO1)c1ccc(cc1)O[*:1]
CC(C)CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CC(C)CCOc1ccc(cc1)C(=O)NC[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 c1coc(c1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 CC(C)(C)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCN(C1)C(=O)O[*:1]
CC/[NH+]=C(/N[C@H]1C[C@@H]1c1cccc(Cl)c1)N[C@@H]1CCC(=O)NC1 Clc1cccc(c1)[*:1] CC/[NH+]=C(/N[C@H]1C[C@H]1[*:1])N[C@@H]1CCC(=O)NC1
CC/[NH+]=C(/N[C@H]1C[C@@H]1c1cccc(Cl)c1)N[C@@H]1CCC(=O)NC1 O=C1CC[C@H](CN1)[*:1] CC/[NH+]=C(/N[C@H]1C[C@@H]1c1cccc(Cl)c1)N[*:1]
COc1ccccc1N1CCN(C(=O)c2cc(-c3cccn3C)nn2-c2cccc([N+](=O)[O-])c2)CC1 COc1ccccc1[*:1] Cn1cccc1-c1cc(C(=O)N2CCN(CC2)[*:1])n(n1)-c1cccc(c1)[N+](=O)[O-]
COc1ccccc1N1CCN(C(=O)c2cc(-c3cccn3C)nn2-c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1cc(nn1-c1cccc(c1)[*:1])-c1cccn1C
COc1ccccc1N1CCN(C(=O)c2cc(-c3cccn3C)nn2-c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1cc(nn1[*:1])-c1cccn1C
COc1ccccc1N1CCN(C(=O)c2cc(-c3cccn3C)nn2-c2cccc([N+](=O)[O-])c2)CC1 Cn1cccc1[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1cc(nn1-c1cccc(c1)[N+](=O)[O-])[*:1]
COc1ccc(CNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)cc1F FC(F)(F)[*:1] COc1ccc(cc1F)CNC(=O)C[C@H](C)c1ccc(cc1)[*:1]
CC1(C)C([C@@H](O)c2cc3c(cc2Cl)OCCCO3)C1(C)C CC1(C)C(C1(C)C)[*:1] O[C@@H](c1cc2OCCCOc2cc1Cl)[*:1]
Cn1c(=O)c2ccccc2n2c(CSc3nnc(C4CC4)n3-c3ccccc3)nnc12 C1CC1[*:1] Cn1c(=O)c2ccccc2n2c(CSc3nnc(n3-c3ccccc3)[*:1])nnc12
Cn1c(=O)c2ccccc2n2c(CSc3nnc(C4CC4)n3-c3ccccc3)nnc12 c1ccc(cc1)[*:1] Cn1c(=O)c2ccccc2n2c(CSc3nnc(C4CC4)n3[*:1])nnc12
O=C([O-])[C@@H]1C=C[C@@H]([NH+]2CC3(CC3)C2)C1 O=C([O-])[*:1] C1=C[C@H](C[C@@H]1[NH+]1CC2(CC2)C1)[*:1]
Cc1ccc(NCc2ccc(C3CC3)cc2)cc1[N+](=O)[O-] C1CC1[*:1] Cc1ccc(cc1[N+](=O)[O-])NCc1ccc(cc1)[*:1]
Cc1ccc(NCc2ccc(C3CC3)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NCc1ccc(cc1)C1CC1
CC[C@@H]1CCc2c(sc(=O)n2CC(=O)N(C)CCOc2ccccc2F)C1 Fc1ccccc1[*:1] CC[C@@H]1CCc2c(C1)sc(=O)n2CC(=O)N(C)CCO[*:1]
CC[C@@H]1CCc2c(sc(=O)n2CC(=O)N(C)CCOc2ccccc2F)C1 Fc1ccccc1OC[*:1] CC[C@@H]1CCc2c(C1)sc(=O)n2CC(=O)N(C)C[*:1]
CC[C@@H]1CCc2c(sc(=O)n2CC(=O)N(C)CCOc2ccccc2F)C1 Fc1ccccc1O[*:1] CC[C@@H]1CCc2c(C1)sc(=O)n2CC(=O)N(C)CC[*:1]
Cc1nccc(N2CCC[C@@H]2Cn2cccn2)n1 c1cnn(c1)C[*:1] Cc1nccc(n1)N1CCC[C@H]1[*:1]
Cc1nccc(N2CCC[C@@H]2Cn2cccn2)n1 c1cnn(c1)[*:1] Cc1nccc(n1)N1CCC[C@@H]1C[*:1]
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 c1ccc(nc1)[*:1] CCOC(=O)C1=C(C)N=c2sc(=C[*:1])c(=O)n2[C@H]1c1ccc(OC)c(c1)OC
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 COc1ccc(cc1OC)[*:1] CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@@H]1[*:1]
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 CCOC(=O)[*:1] COc1ccc(cc1OC)[C@H]1C(=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n21)[*:1]
CCc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] CCc1noc(C)c1C(=O)Nc1ccc(Cl)cc1[*:1]
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1 C1CCc2c(noc2C1)[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C1)C(=O)[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)C[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 CC(=O)N[*:1] O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=Cc1ccccc1)[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 c1ccc(cc1)[*:1] CC(=O)NC(=C[*:1])C(=O)NNC(=O)Cc1ccc(Cl)cc1
O=[S@](CCSC1=Nc2ccccc2CS1)c1ccccc1 c1ccc(cc1)[*:1] O=[S@](CCSC1=Nc2ccccc2CS1)[*:1]
CCOc1ccccc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] CCOc1ccccc1C(=O)OCc1nnc(o1)[*:1]
CCOc1ccccc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 CCO[*:1] O=C(OCc1nnc(o1)-c1ccc(Cl)cc1)c1ccccc1[*:1]
CN(C(=O)CCCC[NH3+])C1CCC(C)(C)CC1 [NH3+]CCCC[*:1] CN(C(=O)[*:1])C1CCC(C)(C)CC1
CN(C(=O)CCCC[NH3+])C1CCC(C)(C)CC1 [NH3+]CCC[*:1] CN(C(=O)C[*:1])C1CCC(C)(C)CC1
CN(C(=O)CCCC[NH3+])C1CCC(C)(C)CC1 [NH3+]CC[*:1] CN(C(=O)CC[*:1])C1CCC(C)(C)CC1
CC(C)c1csc([C@@]2(N)CCCS[C@@H]2C)n1 CC(C)[*:1] C[C@H]1SCCC[C@]1(N)c1nc(cs1)[*:1]
O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc12)[NH+]1CCSCC1 c1ccc(cc1)C[*:1] O=C([O-])[C@@H](c1c[nH]c2cc(ccc12)O[*:1])[NH+]1CCSCC1
O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc12)[NH+]1CCSCC1 c1ccc(cc1)[*:1] O=C([O-])[C@@H](c1c[nH]c2cc(ccc12)OC[*:1])[NH+]1CCSCC1
O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc12)[NH+]1CCSCC1 c1ccc(cc1)CO[*:1] O=C([O-])[C@@H](c1c[nH]c2cc(ccc12)[*:1])[NH+]1CCSCC1
CCOc1ccc(C(=O)N2C[C@H](C(=O)NC)C3(CCCC3)C2)cc1 CCO[*:1] CNC(=O)[C@H]1CN(CC12CCCC2)C(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)N2C[C@H](C(=O)NC)C3(CCCC3)C2)cc1 CNC(=O)[*:1] CCOc1ccc(cc1)C(=O)N1C[C@H](C2(CCCC2)C1)[*:1]
O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(COc1cccc(c1)[N+](=O)[O-])NN=C[*:1]
O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(Cl)cc1Cl O=[N+]([O-])[*:1] O=C(COc1cccc(c1)[*:1])N/N=C/c1ccc(Cl)cc1Cl
CCCC[C@@H](CC)[NH2+][C@H]1CCN(C(C)=O)C1 CCC[*:1] CC[C@H](C[*:1])[NH2+][C@H]1CCN(C1)C(C)=O
CCCC[C@@H](CC)[NH2+][C@H]1CCN(C(C)=O)C1 CCCC[*:1] CC[C@@H]([NH2+][C@H]1CCN(C1)C(C)=O)[*:1]
Cc1ccc(C)c(N(C)C(=O)c2nnn(-c3cccc(Cl)c3)c2C)c1 Clc1cccc(c1)[*:1] Cc1ccc(C)c(c1)N(C)C(=O)c1nnn(c1C)[*:1]
Cc1ccc(C)c(N(C)C(=O)c2nnn(-c3cccc(Cl)c3)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1c(nnn1-c1cccc(Cl)c1)C(=O)N(C)[*:1]
CCOc1cccc2c1OCC(C(=O)N1CCC[C@H](c3[nH]cc[nH+]3)C1)=C2 CCO[*:1] O=C(C1=Cc2cccc(c2OC1)[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
COc1cccc2c(=O)c([C@H](C)O)c[nH]c12 C[C@H](O)[*:1] COc1cccc2c(=O)c(c[nH]c12)[*:1]
COc1ccc2c(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)c[nH]c2c1 Clc1ccc(cc1Cl)[*:1] COc1ccc2c(c[nH]c2c1)CCNC(=O)N[*:1]
CCOc1ccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)cc1 CCOc1ccc(cc1)[*:1] CC1(C)CC(=O)c2cc(C#N)c(nc2C1)SCC(=O)N[*:1]
CCOc1ccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)cc1 CCO[*:1] CC1(C)CC(=O)c2cc(C#N)c(nc2C1)SCC(=O)Nc1ccc(cc1)[*:1]
CCC[C@H](C(=O)OCC)c1nc2cc(C)c(C)cc2[nH]1 CCOC(=O)[*:1] CCC[C@H](c1nc2cc(C)c(C)cc2[nH]1)[*:1]
CCC[C@H](C(=O)OCC)c1nc2cc(C)c(C)cc2[nH]1 CCC[*:1] CCOC(=O)[C@H](c1nc2cc(C)c(C)cc2[nH]1)[*:1]
Cc1ccnc2c1nc([C@H](C)Cl)n2[C@@H](C)Cc1ccsc1 c1cc(cs1)[*:1] Cc1ccnc2c1nc([C@H](C)Cl)n2[C@@H](C)C[*:1]
Cc1ccnc2c1nc([C@H](C)Cl)n2[C@@H](C)Cc1ccsc1 c1cc(cs1)C[*:1] Cc1ccnc2c1nc([C@H](C)Cl)n2[C@@H](C)[*:1]
Cc1ccnc2c1nc([C@H](C)Cl)n2[C@@H](C)Cc1ccsc1 C[C@H](Cl)[*:1] Cc1ccnc2c1nc(n2[C@@H](C)Cc1ccsc1)[*:1]
COc1ccc(S(=O)(=O)NCC[C@H](O)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)S(=O)(=O)NCC[C@H](O)[*:1]
CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3CC(=O)Nc2nccs2)CO1 c1csc(n1)[*:1] CC1(C)Cc2c(CO1)sc1c2c(=O)n(CCO)c(=O)n1CC(=O)N[*:1]
CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3CC(=O)Nc2nccs2)CO1 OCC[*:1] CC1(C)Cc2c(CO1)sc1c2c(=O)n(c(=O)n1CC(=O)Nc1nccs1)[*:1]
CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3CC(=O)Nc2nccs2)CO1 O=C(Nc1nccs1)[*:1] CC1(C)Cc2c(CO1)sc1c2c(=O)n(CCO)c(=O)n1C[*:1]
CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3CC(=O)Nc2nccs2)CO1 O=C(C[*:1])Nc1nccs1 CC1(C)Cc2c(CO1)sc1c2c(=O)n(CCO)c(=O)n1[*:1]
O=C(CN1CC[NH+](Cc2ccon2)CC1)NCc1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(CN1CC[NH+](CC1)Cc1ccon1)NC[*:1]
O=C(CN1CC[NH+](Cc2ccon2)CC1)NCc1ccc(Cl)s1 c1cc(no1)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])NCc1ccc(Cl)s1
O=C(CN1CC[NH+](Cc2ccon2)CC1)NCc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 O=C(CN1CC[NH+](CC1)Cc1ccon1)N[*:1]
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)[*:1]
C[C@@H]1Sc2ccc(C(=O)Nc3ccccc3Oc3ccccc3Cl)cc2NC1=O Clc1ccccc1O[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)Nc1ccccc1[*:1]
C[C@@H]1Sc2ccc(C(=O)Nc3ccccc3Oc3ccccc3Cl)cc2NC1=O Clc1ccccc1[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)Nc1ccccc1O[*:1]
C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1ccccc1[*:1]
O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(F)c(F)cc1Cl O=C1CCCN1[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(F)c(F)cc1Cl
CNC(=O)c1ccc(CNC(=O)c2ccccc2SCC=C(C)C)cc1 CC(C)=C[*:1] CNC(=O)c1ccc(cc1)CNC(=O)c1ccccc1SC[*:1]
CNC(=O)c1ccc(CNC(=O)c2ccccc2SCC=C(C)C)cc1 CC(C)=CCS[*:1] CNC(=O)c1ccc(cc1)CNC(=O)c1ccccc1[*:1]
CNC(=O)c1ccc(CNC(=O)c2ccccc2SCC=C(C)C)cc1 CC(C)=CC[*:1] CNC(=O)c1ccc(cc1)CNC(=O)c1ccccc1S[*:1]
CNC(=O)c1ccc(CNC(=O)c2ccccc2SCC=C(C)C)cc1 CNC(=O)[*:1] CC(C)=CCSc1ccccc1C(=O)NCc1ccc(cc1)[*:1]
Cc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@@H]24)O3)o1 CC(C)(C)C[*:1] Cc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C(=O)[C@@H]24)[*:1])O3)o1
Cc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@@H]24)O3)o1 Cc1nnc(o1)[*:1] CN(C[*:1])C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@@H]13)O2
Cc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@@H]24)O3)o1 CC(C)(C)[*:1] Cc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C[*:1])C(=O)[C@@H]24)O3)o1
Cc1nnc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC(C)(C)C)C(=O)[C@@H]24)O3)o1 Cc1nnc(C[*:1])o1 CN(C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@@H]13)O2)[*:1]
CCc1nn(C)cc1CNc1ccc(C#N)cc1C(F)(F)F FC(F)(F)[*:1] CCc1nn(C)cc1CNc1ccc(C#N)cc1[*:1]
COc1ccc(C(=O)N/N=C(\C)c2ccc(OC(F)F)cc2)cc1OC FC(F)[*:1] COc1ccc(cc1OC)C(=O)N/N=C(\C)c1ccc(cc1)O[*:1]
COc1ccc(C(=O)N/N=C(\C)c2ccc(OC(F)F)cc2)cc1OC FC(F)O[*:1] COc1ccc(cc1OC)C(=O)N/N=C(\C)c1ccc(cc1)[*:1]
O=C1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 O=C1CCC[C@@H]1[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1[*:1]
O=C1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)[*:1]
Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)on1 Cc1ccc(cc1C)[*:1] Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C[*:1])C(=O)[C@H]24)O3)on1
Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)on1 Cc1ccc(cc1C)C[*:1] Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(C(=O)[C@H]24)[*:1])O3)on1
Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)on1 Cc1cc(C[*:1])on1 Cc1ccc(cc1C)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)[*:1])[C@H]3C1=O
Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@H]24)O3)on1 Cc1cc(on1)[*:1] Cc1ccc(cc1C)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)C[*:1])[C@H]3C1=O
C[C@@H]([NH2+]Cc1csc(Br)c1)c1cccs1 c1csc(c1)[*:1] C[C@@H]([NH2+]Cc1csc(Br)c1)[*:1]
CCCCn1nc(C)c(C(=O)NCc2nc(C)cs2)c1Cl Cc1csc(n1)[*:1] CCCCn1nc(C)c(C(=O)NC[*:1])c1Cl
CCCCn1nc(C)c(C(=O)NCc2nc(C)cs2)c1Cl CCC[*:1] Cc1csc(CNC(=O)c2c(C)nn(C[*:1])c2Cl)n1
CCCCn1nc(C)c(C(=O)NCc2nc(C)cs2)c1Cl CCCC[*:1] Cc1csc(CNC(=O)c2c(C)nn(c2Cl)[*:1])n1
CCCCn1nc(C)c(C(=O)NCc2nc(C)cs2)c1Cl Cc1csc(C[*:1])n1 CCCCn1nc(C)c(C(=O)N[*:1])c1Cl
C=CCOC(=O)C1=C(C)NC(=O)[C@@]12C(C(=O)OCC)=C(N)Oc1ccccc12 C=CC[*:1] CCOC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2C(=O)O[*:1]
C=CCOC(=O)C1=C(C)NC(=O)[C@@]12C(C(=O)OCC)=C(N)Oc1ccccc12 C=CCOC(=O)[*:1] CCOC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2[*:1]
C=CCOC(=O)C1=C(C)NC(=O)[C@@]12C(C(=O)OCC)=C(N)Oc1ccccc12 CCOC(=O)[*:1] C=CCOC(=O)C1=C(C)NC(=O)[C@@]12C(=C(N)Oc1ccccc12)[*:1]
O=C(CSc1nnc(NC(=O)c2cccs2)s1)Nc1cccc2ccccc12 O=C(N[*:1])c1cccs1 O=C(CSc1nnc(s1)[*:1])Nc1cccc2ccccc12
O=C(CSc1nnc(NC(=O)c2cccs2)s1)Nc1cccc2ccccc12 c1csc(c1)[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)Nc1cccc2ccccc12
CCc1cc2ccccc2nc1SCC(=O)Nc1c[nH]c(=O)[nH]c1=O O=c1[nH]cc(c(=O)[nH]1)[*:1] CCc1cc2ccccc2nc1SCC(=O)N[*:1]
CC(C)OCCC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CC(C)O[*:1] O=C(CC[*:1])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
CC(C)OCCC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CC(C)OCC[*:1] O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
CC(C)OCCC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CC(C)OC[*:1] O=C(C[*:1])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
CC(C)OCCC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CC(C)[*:1] O=C(CCO[*:1])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
O=C1CCCN1[C@H]1CCCN(S(=O)(=O)CCC2CC2)C1 C1CC1CC[*:1] O=C1CCCN1[C@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C1CCCN1[C@H]1CCCN(S(=O)(=O)CCC2CC2)C1 O=C1CCCN1[*:1] O=S(=O)(CCC1CC1)N1CCC[C@@H](C1)[*:1]
O=C1CCCN1[C@H]1CCCN(S(=O)(=O)CCC2CC2)C1 C1CC1C[*:1] O=C1CCCN1[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
O=C1CCCN1[C@H]1CCCN(S(=O)(=O)CCC2CC2)C1 C1CC1[*:1] O=C1CCCN1[C@H]1CCCN(C1)S(=O)(=O)CC[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)Cc1c[nH]c2ccc(F)cc12 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)Cc1c[nH]c2ccc(F)cc12)[*:1]
Cc1cc(C(=O)N2C[C@@H](C)NC(=O)c3ccc(F)cc32)on1 Cc1cc(on1)[*:1] C[C@@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
Nc1nc(CSc2nnnn2C2CCCC2)nc2ccccc12 C1CCC(C1)[*:1] Nc1nc(CSc2nnnn2[*:1])nc2ccccc12
Cc1cnc(S[C@H]2CC[C@](CO)([NH2+]C(C)C)C2)nc1 CC(C)[*:1] Cc1cnc(nc1)S[C@H]1CC[C@@](CO)(C1)[NH2+][*:1]
O=C(CCCCc1ccccc1)N1CCOC[C@H](CO)C1 c1ccc(cc1)C[*:1] O=C(CCC[*:1])N1CCOC[C@H](CO)C1
O=C(CCCCc1ccccc1)N1CCOC[C@H](CO)C1 c1ccc(cc1)[*:1] O=C(CCCC[*:1])N1CCOC[C@H](CO)C1
Cc1ccc(-n2ncc3c2ncn2c(CCc4ccccc4)nnc32)c(C)c1 c1ccc(cc1)CC[*:1] Cc1ccc(c(C)c1)-n1ncc2c1ncn1c(nnc21)[*:1]
Cc1ccc(-n2ncc3c2ncn2c(CCc4ccccc4)nnc32)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(c(C)c1)-n1ncc2c1ncn1c(C[*:1])nnc21
Cc1ccc(-n2ncc3c2ncn2c(CCc4ccccc4)nnc32)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)-n1ncc2c1ncn1c(CC[*:1])nnc21
Cc1ccc(-n2ncc3c2ncn2c(CCc4ccccc4)nnc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] c1ccc(cc1)CCc1nnc2c3cnn(c3ncn12)[*:1]
C[C@H]1CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCO1 C1CCN(CC1)[*:1] C[C@H]1CN(CCO1)C(=O)NCc1ccc([nH+]c1)[*:1]
C=CCS(=O)(=O)/N=C([O-])/C=C/c1ccc(-c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] C=CCS(=O)(=O)/N=C([O-])/C=C/c1ccc(s1)[*:1]
C=CCS(=O)(=O)/N=C([O-])/C=C/c1ccc(-c2ccc(F)cc2)s1 C=CC[*:1] O=S(=O)(/N=C([O-])/C=C/c1ccc(s1)-c1ccc(F)cc1)[*:1]
C[C@H]1c2cc3c(-c4ccc(Cl)cc4)coc3cc2OC(=O)[C@H]1CC(=O)NCCc1c[nH+]c[nH]1 Clc1ccc(cc1)[*:1] C[C@H]1c2cc3c(coc3cc2OC(=O)[C@H]1CC(=O)NCCc1c[nH+]c[nH]1)[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)NNc1ccc(-n2cccn2)nn1 Oc1ccc(cc1)C[*:1] C[C@@H](NC(=O)NNc1ccc(nn1)-n1cccn1)[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)NNc1ccc(-n2cccn2)nn1 c1cnn(c1)[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)NNc1ccc(nn1)[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)NNc1ccc(-n2cccn2)nn1 Oc1ccc(cc1)[*:1] C[C@@H](C[*:1])NC(=O)NNc1ccc(nn1)-n1cccn1
CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C)C1 Cc1ccccc1NC(=O)[*:1] CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)N1CCC[C@H](C1)[*:1]
CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C)C1 Cc1ccccc1[*:1] CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C)C1 CCOC(=O)[*:1] CC1=NC(C)=C([C@@H]1S(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1ccccc1C)[*:1]
Cc1ccsc1[C@H](O)c1ccccc1C1CC1 C1CC1[*:1] Cc1ccsc1[C@H](O)c1ccccc1[*:1]
CC(C)C[C@@H](C)NC(=O)c1sccc1NC(=O)c1cnccn1 CC(C)[*:1] C[C@H](C[*:1])NC(=O)c1sccc1NC(=O)c1cnccn1
CC(C)C[C@@H](C)NC(=O)c1sccc1NC(=O)c1cnccn1 CC(C)C[*:1] C[C@@H](NC(=O)c1sccc1NC(=O)c1cnccn1)[*:1]
CC(C)C[C@@H](C)NC(=O)c1sccc1NC(=O)c1cnccn1 c1cnc(cn1)[*:1] CC(C)C[C@@H](C)NC(=O)c1sccc1NC(=O)[*:1]
CC(C)C[C@@H](C)NC(=O)c1sccc1NC(=O)c1cnccn1 CC(C)C[C@@H](C)[*:1] O=C(Nc1ccsc1C(=O)N[*:1])c1cnccn1
CC(C)NC(=O)c1ccc(-c2nc3cc(NS(C)(=O)=O)ccc3n2C)cc1 CC(C)NC(=O)[*:1] Cn1c(nc2cc(ccc21)NS(C)(=O)=O)-c1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccc(-c2nc3cc(NS(C)(=O)=O)ccc3n2C)cc1 CC(C)[*:1] Cn1c(nc2cc(ccc21)NS(C)(=O)=O)-c1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)c1ccc(-c2nc3cc(NS(C)(=O)=O)ccc3n2C)cc1 CS(=O)(=O)N[*:1] CC(C)NC(=O)c1ccc(cc1)-c1nc2cc(ccc2n1C)[*:1]
N#CC1(NC(=O)Cn2nnc(-c3cccc(Cl)c3)n2)CCCC1 N#CC1(CCCC1)[*:1] O=C(Cn1nnc(n1)-c1cccc(Cl)c1)N[*:1]
N#CC1(NC(=O)Cn2nnc(-c3cccc(Cl)c3)n2)CCCC1 Clc1cccc(c1)[*:1] N#CC1(CCCC1)NC(=O)Cn1nnc(n1)[*:1]
CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NCc1ccco1 c1coc(c1)C[*:1] CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)N[*:1]
CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NCc1ccco1 CS(=O)(=O)[*:1] O=C(NCc1ccco1)C(=O)Nc1cccc(Cl)c1[*:1]
CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NCc1ccco1 c1coc(c1)[*:1] CS(=O)(=O)c1c(Cl)cccc1NC(=O)C(=O)NC[*:1]
COc1cc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)c(cc1OC)[*:1]
CCN(C(=O)/C=C/c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2 Cn1cc(cn1)[*:1] CCN(C(=O)C=C[*:1])C12CC3CC(CC(C3)C1)C2
CSCC[C@H](NC(=O)[C@H](C)c1ccsc1)c1nnc2ccccn12 CSCC[*:1] C[C@@H](C(=O)N[C@H](c1nnc2ccccn12)[*:1])c1ccsc1
CSCC[C@H](NC(=O)[C@H](C)c1ccsc1)c1nnc2ccccn12 CSC[*:1] C[C@@H](C(=O)N[C@@H](C[*:1])c1nnc2ccccn12)c1ccsc1
CSCC[C@H](NC(=O)[C@H](C)c1ccsc1)c1nnc2ccccn12 c1cc(cs1)[*:1] CSCC[C@H](NC(=O)[C@H](C)[*:1])c1nnc2ccccn12
CSCC[C@H](NC(=O)[C@H](C)c1ccsc1)c1nnc2ccccn12 C[C@H](c1ccsc1)[*:1] CSCC[C@H](NC(=O)[*:1])c1nnc2ccccn12
CCCCC1=N[C@H]2c3c(C)cc(C)nc3S[C@@H]2C(=O)N1N(C(C)=O)C(C)=O CCC[*:1] CC(=O)N(C(C)=O)N1C(=O)[C@H]2Sc3nc(C)cc(C)c3[C@@H]2N=C1C[*:1]
CCCCC1=N[C@H]2c3c(C)cc(C)nc3S[C@@H]2C(=O)N1N(C(C)=O)C(C)=O CCCC[*:1] CC(=O)N(C(C)=O)N1C(=O)[C@H]2Sc3nc(C)cc(C)c3[C@@H]2N=C1[*:1]
Nc1nnc(CNC(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)s1 c1ccc(cc1)[*:1] Nc1nnc(CNC(=O)c2ccc(cc2)NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
Nc1nnc(CNC(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)s1 Nc1nnc(s1)[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1
Nc1nnc(CNC(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)s1 Nc1nnc(CNC(=O)[*:1])s1 O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
Nc1nnc(CNC(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)s1 Nc1nnc(C[*:1])s1 O=C(N[*:1])c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1
CC[C@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C)[C@@H](CC)C[NH2+]1 C[C@H]1OCC[C@H]1[*:1] CC[C@H]1CN(C(=O)[*:1])[C@@H](CC)C[NH2+]1
Cc1nc(N)nc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NN CC(C)(C)[*:1] Cc1nc(N)nc(-c2ccc(cc2)[*:1])c1C(=O)NN
Cc1nc(N)nc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NN NNC(=O)[*:1] Cc1nc(N)nc(-c2ccc(cc2)C(C)(C)C)c1[*:1]
CCC[NH2+]C[C@H]1CCO[C@@H]1CC(C)C CC(C)[*:1] CCC[NH2+]C[C@H]1CCO[C@@H]1C[*:1]
CCC[NH2+]C[C@H]1CCO[C@@H]1CC(C)C CCC[*:1] CC(C)C[C@H]1OCC[C@@H]1C[NH2+][*:1]
CCC[NH2+]C[C@H]1CCO[C@@H]1CC(C)C CC(C)C[*:1] CCC[NH2+]C[C@H]1CCO[C@H]1[*:1]
Cc1ccc(C)c(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)C(C#N)=C[*:1]
C[C@@](O)(CNC(=O)N[C@H]1CCCOc2ccccc21)c1ccco1 c1coc(c1)[*:1] C[C@@](O)(CNC(=O)N[C@H]1CCCOc2ccccc21)[*:1]
CC(=O)N1CCC(NC(=O)Cc2cccs2)CC1 c1csc(c1)C[*:1] CC(=O)N1CCC(CC1)NC(=O)[*:1]
CC(=O)N1CCC(NC(=O)Cc2cccs2)CC1 c1csc(c1)[*:1] CC(=O)N1CCC(CC1)NC(=O)C[*:1]
COc1ccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc23)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNc1nc2c(nnn2c2ccc(Cl)cc12)S(=O)(=O)[*:1]
COc1ccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc23)cc1 COc1ccc(cc1)C[*:1] O=S(=O)(c1ccccc1)c1nnn2c1nc(N[*:1])c1cc(Cl)ccc12
COc1ccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc23)cc1 COc1ccc(cc1)CN[*:1] O=S(=O)(c1ccccc1)c1nnn2c1nc(c1cc(Cl)ccc12)[*:1]
COc1ccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc23)cc1 COc1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)c1nnn2c1nc(NC[*:1])c1cc(Cl)ccc12
COc1ccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc23)cc1 O=S(=O)(c1ccccc1)[*:1] COc1ccc(cc1)CNc1nc2c(nnn2c2ccc(Cl)cc12)[*:1]
CC(C)Oc1ccccc1F CC(C)[*:1] Fc1ccccc1O[*:1]
Cc1ccc(CN(C)C(=O)NC[C@@H](C)Cn2cccn2)s1 Cc1ccc(s1)[*:1] C[C@H](CNC(=O)N(C)C[*:1])Cn1cccn1
Cc1ccc(CN(C)C(=O)NC[C@@H](C)Cn2cccn2)s1 c1cnn(c1)C[*:1] Cc1ccc(CN(C)C(=O)NC[C@@H](C)[*:1])s1
Cc1ccc(CN(C)C(=O)NC[C@@H](C)Cn2cccn2)s1 Cc1ccc(C[*:1])s1 C[C@H](CNC(=O)N(C)[*:1])Cn1cccn1
Cc1ccc(CN(C)C(=O)NC[C@@H](C)Cn2cccn2)s1 c1cnn(c1)[*:1] Cc1ccc(CN(C)C(=O)NC[C@@H](C)C[*:1])s1
CC(C)[C@](C)(C#N)NC(=O)CN(C[C@@H](C)O)c1ccccc1 CC(C)[*:1] C[C@@H](O)CN(CC(=O)N[C@](C)(C#N)[*:1])c1ccccc1
CC(C)[C@](C)(C#N)NC(=O)CN(C[C@@H](C)O)c1ccccc1 CC(C)[C@](C)(C#N)[*:1] C[C@@H](O)CN(CC(=O)N[*:1])c1ccccc1
CC(C)[C@](C)(C#N)NC(=O)CN(C[C@@H](C)O)c1ccccc1 C[C@@H](O)C[*:1] CC(C)[C@](C)(C#N)NC(=O)CN(c1ccccc1)[*:1]
CC(C)[C@](C)(C#N)NC(=O)CN(C[C@@H](C)O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@](C)(C#N)NC(=O)CN(C[C@@H](C)O)[*:1]
CC(C)[C@](C)(C#N)NC(=O)CN(C[C@@H](C)O)c1ccccc1 C[C@@H](O)[*:1] CC(C)[C@](C)(C#N)NC(=O)CN(C[*:1])c1ccccc1
COc1ccc(CCN2C(=O)CSC2=Nc2ccc(C(C)(C)C)cc2)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)CCN1C(=O)CSC1=Nc1ccc(cc1)[*:1]
CC(C)(C)Cc1cc(N)n(-c2cc(F)c(F)c(F)c2)n1 CC(C)(C)C[*:1] Nc1cc(nn1-c1cc(F)c(F)c(F)c1)[*:1]
CC(C)(C)Cc1cc(N)n(-c2cc(F)c(F)c(F)c2)n1 CC(C)(C)[*:1] Nc1cc(C[*:1])nn1-c1cc(F)c(F)c(F)c1
COc1ccc2c(c1)=C[C@H](/C=C1\N=C(c3ccccc3)OC1=O)C(=O)[NH+]=2 c1ccc(cc1)[*:1] COc1ccc2=[NH+]C(=O)[C@H](C=c2c1)/C=C1\N=C(OC1=O)[*:1]
Cn1nc(-c2ccccn2)c2[nH]c(C(C)(C)CN3CCOCC3)nc21 c1ccc(nc1)[*:1] Cn1nc(c2[nH]c(nc21)C(C)(C)CN1CCOCC1)[*:1]
Cn1nc(-c2ccccn2)c2[nH]c(C(C)(C)CN3CCOCC3)nc21 C1CN(CCO1)[*:1] Cn1nc(-c2ccccn2)c2[nH]c(nc21)C(C)(C)C[*:1]
Cn1nc(-c2ccccn2)c2[nH]c(C(C)(C)CN3CCOCC3)nc21 C1CN(CCO1)C[*:1] Cn1nc(-c2ccccn2)c2[nH]c(nc21)C(C)(C)[*:1]
O=[N+]([O-])/C=C(\[O-])c1cccc(/C([O-])=C/[N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])/C=C(\[O-])c1cccc(c1)C([O-])=C[*:1]
O=[N+]([O-])/C=C(\[O-])c1cccc(/C([O-])=C/[N+](=O)[O-])c1 O=[N+]([O-])/C=C(\[O-])[*:1] O=[N+]([O-])/C=C(\[O-])c1cccc(c1)[*:1]
Cn1cc([C@H](CN[C@@H](c2cccs2)C2CC2)[NH+](C)C)cn1 C1CC1[*:1] Cn1cc(cn1)[C@H](CN[C@@H](c1cccs1)[*:1])[NH+](C)C
Cn1cc([C@H](CN[C@@H](c2cccs2)C2CC2)[NH+](C)C)cn1 Cn1cc(cn1)[*:1] C[NH+](C)[C@@H](CN[C@@H](c1cccs1)C1CC1)[*:1]
Cn1cc([C@H](CN[C@@H](c2cccs2)C2CC2)[NH+](C)C)cn1 c1csc(c1)[*:1] Cn1cc(cn1)[C@H](CN[C@@H](C1CC1)[*:1])[NH+](C)C
C[C@H](Oc1ccccc1)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NC1CCN(CC1)C(=O)c1ccncc1
C[C@H](Oc1ccccc1)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] C[C@H](Oc1ccccc1)C(=O)NC1CCN(CC1)C(=O)[*:1]
C[C@H](Oc1ccccc1)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 c1ccc(cc1)O[*:1] C[C@H](C(=O)NC1CCN(CC1)C(=O)c1ccncc1)[*:1]
Cc1c(C(=O)N2[C@H](C)COC[C@H]2C)cnn1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1c(cnn1-c1cccc(c1)[*:1])C(=O)N1[C@H](C)COC[C@H]1C
Cc1nc(Oc2ccc(F)cc2)c(C(=O)[O-])c(C)c1Cl O=C([O-])[*:1] Cc1nc(Oc2ccc(F)cc2)c(c(C)c1Cl)[*:1]
C[C@H]([NH2+]Cc1cccc(O)c1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H]([NH2+]Cc1cccc(O)c1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 C1CCC(C1)[*:1] Cc1ccc(cc1NC(=O)[C@H]1CC(=O)N(C1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)[C@H]1CC(=O)N(C1)C1CCCC1)[*:1]
CC[C@@H](C)CN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 CC[C@@H](C)[*:1] CCN(C[*:1])C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1
CC[C@@H](C)CN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] CC[C@@H](C)CN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
CC[C@@H](C)CN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 CC[C@@H](C)C[*:1] CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1)[*:1]
CC[C@@H](C)CN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] CC[C@@H](C)CN(CC)C(=O)N[C@@H](c1ncon1)[*:1]
Cc1nnc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)CCCC5)s1 Cc1nnc(s1)[*:1] CC(C)c1nc2sc3CCCCc3c2c2nnc(SCC(=O)N[*:1])n12
Cc1nnc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)CCCC5)s1 CC(C)[*:1] Cc1nnc(NC(=O)CSc2nnc3c4c5CCCCc5sc4nc(n23)[*:1])s1
Cc1nnc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)CCCC5)s1 Cc1nnc(NC(=O)[*:1])s1 CC(C)c1nc2sc3CCCCc3c2c2nnc(SC[*:1])n12
Cc1nnc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)CCCC5)s1 Cc1nnc(NC(=O)C[*:1])s1 CC(C)c1nc2sc3CCCCc3c2c2nnc(S[*:1])n12
COc1ccc(/C=c2/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(/C=c2/sc3nc(C=C[*:1])nn3c2=O)cc1OC
COc1ccc(/C=c2/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1OC Cc1ccc(C=C[*:1])cc1 COc1ccc(/C=c2/sc3nc(nn3c2=O)[*:1])cc1OC
C[C@@H]1CC(C(=O)Nc2ccn(CC(F)F)n2)C[C@@H](C)O1 FC(F)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccn(C[*:1])n1
C[C@@H]1CC(C(=O)Nc2ccn(CC(F)F)n2)C[C@@H](C)O1 FC(F)C[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccn(n1)[*:1]
COCCN(C)C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 COCC[*:1] CN(C(=O)Nc1c(nc2sccn12)-c1ccc(F)cc1)[*:1]
COCCN(C)C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 COC[*:1] CN(C[*:1])C(=O)Nc1c(nc2sccn12)-c1ccc(F)cc1
COCCN(C)C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 Fc1ccc(cc1)[*:1] COCCN(C)C(=O)Nc1c(nc2sccn12)[*:1]
O=C(CC1CCCCC1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] O=C(CC1CCCCC1)NNC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
O=C(CC1CCCCC1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 C1CCC(CC1)[*:1] O=C(C[*:1])NNC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(Cl)cc1
O=C(CC1CCCCC1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 C1CCC(CC1)C[*:1] O=C(NNC(=O)[*:1])c1cccc(c1)S(=O)(=O)Nc1ccc(Cl)cc1
COc1cc(NC(=O)N[C@@H]2C[C@@H]2C)ccc1N1CCCC1=O O=C1CCCN1[*:1] COc1cc(ccc1[*:1])NC(=O)N[C@@H]1C[C@@H]1C
COc1ccccc1CN(C)[C@@](C)(C[NH3+])C1(C)CC1 CC1(CC1)[*:1] COc1ccccc1CN(C)[C@@](C)(C[NH3+])[*:1]
CCCC[C@H]1C[NH2+]CCN1c1ccc(C(=O)[O-])cc1 CCC[*:1] O=C([O-])c1ccc(cc1)N1CC[NH2+]C[C@@H]1C[*:1]
CCCC[C@H]1C[NH2+]CCN1c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CCCC[C@H]1C[NH2+]CCN1c1ccc(cc1)[*:1]
CCCC[C@H]1C[NH2+]CCN1c1ccc(C(=O)[O-])cc1 CCCC[*:1] O=C([O-])c1ccc(cc1)N1CC[NH2+]C[C@@H]1[*:1]
Cc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc2nn(nc2c1)[*:1]
Cc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc2nn(nc2c1)-c1ccccc1)[*:1]
COc1ccc([C@@H]2[C@H](C(=O)NC[C@](C)(O)C(C)C)CCC(=O)N2C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H]1[C@@H](CCC(=O)N1C)C(=O)NC[C@](C)(O)[*:1]
COc1ccc([C@@H]2[C@H](C(=O)NC[C@](C)(O)C(C)C)CCC(=O)N2C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@](C)(O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1[*:1]
O[C@H](CN1CCN(c2ccccc2)CC1)C(F)(F)F c1ccc(cc1)[*:1] O[C@H](CN1CCN(CC1)[*:1])C(F)(F)F
O[C@H](CN1CCN(c2ccccc2)CC1)C(F)(F)F FC(F)(F)[*:1] O[C@H](CN1CCN(CC1)c1ccccc1)[*:1]
Cn1cc(C#N)cc1C(=O)NCC(C)(C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1cc(C#N)cc1C(=O)NCC(C)(C)[*:1]
CC[NH2+][C@H](Cc1ncccc1C)c1csc2ccccc12 Cc1cccnc1[*:1] CC[NH2+][C@H](C[*:1])c1csc2ccccc12
COc1cccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)c1OC Oc1ccccc1[*:1] COc1cccc(c1OC)[C@H]1C2C(=O)C[C@@H](CC=2Nc2ncnn21)[*:1]
COc1cccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)c1OC COc1cccc(c1OC)[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@H](C=21)[*:1])c1ccccc1O
O=C(CSc1nc(Cl)nc2nc[nH]c12)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1nc(Cl)nc2nc[nH]c12)N[*:1]
O=C(CSc1nc(Cl)nc2nc[nH]c12)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc(Cl)nc2nc[nH]c12)NC[*:1]
COc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 COc1ccccc1[*:1] O=C(N[*:1])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1
COc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)[*:1]
Cn1ccc(NC(=O)Nc2ccccc2C(F)(F)F)n1 Cn1ccc(n1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N[*:1]
Cn1ccc(NC(=O)Nc2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] Cn1ccc(n1)NC(=O)Nc1ccccc1[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)[C@H]1CCCO1 CCC[*:1] Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)c(c1)N[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCCNc1cc(C)ccc1C(=O)N[C@@H](C)[*:1]
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)[C@H]1CCCO1 CCCN[*:1] Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)c(c1)[*:1]
COc1ccc(OC)c2c1CN(C1CCSCC1)C[C@H]2O C1CC(CCS1)[*:1] COc1ccc(OC)c2c1CN(C[C@H]2O)[*:1]
COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O COc1ccc(cc1OC)[*:1] COc1cc(ccc1O)[C@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)[*:1]
COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O COc1cc(ccc1O)[*:1] COc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
Cc1nnc(-c2ccc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)cc2)o1 FC(F)(F)C[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
Cc1nnc(-c2ccc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)cc2)o1 Cc1nnc(o1)[*:1] O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(cc1)[*:1]
Cc1nnc(-c2ccc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)cc2)o1 Fc1ccc(cc1)[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](CC(F)(F)F)[*:1]
Cc1nnc(-c2ccc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(F)cc3)cc2)o1 FC(F)(F)[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](C[*:1])c1ccc(F)cc1
COc1ccc(C(=O)N[C@H](C(=O)[O-])C2=C(C)N=N[C@H]2C)c(F)c1F O=C([O-])[*:1] COc1ccc(C(=O)N[C@H](C2=C(C)N=N[C@H]2C)[*:1])c(F)c1F
CC(C)c1ccc([C@@H](Cl)[C@H](C)c2ccccn2)cc1 CC(C)[*:1] C[C@H](c1ccccn1)[C@H](Cl)c1ccc(cc1)[*:1]
CC(C)c1ccc([C@@H](Cl)[C@H](C)c2ccccn2)cc1 c1ccc(nc1)[*:1] CC(C)c1ccc(cc1)[C@@H](Cl)[C@H](C)[*:1]
CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccn(CC#N)n1 N#CC[*:1] CC[C@@H](Oc1ccc2CCCc2c1)C(=O)Nc1ccn(n1)[*:1]
CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccn(CC#N)n1 N#CCn1ccc(n1)[*:1] CC[C@@H](Oc1ccc2CCCc2c1)C(=O)N[*:1]
C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(cc1)[*:1]
COc1ccccc1[C@@H](C)NC(=O)C[S@@](=O)C1CCCCC1 C1CCC(CC1)[*:1] COc1ccccc1[C@@H](C)NC(=O)C[S@@](=O)[*:1]
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3N=NC4=C3CCCC4)CC2)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1N=NC2CCCCC=21)N1CCC(CC1)NS(=O)(=O)[*:1]
C[C@H]1COCCN1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@H]1COCCN1CC(=O)Nc1ccccc1C(=O)N[*:1]
C[C@H]1COCCN1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] C[C@H]1COCCN1CC(=O)Nc1ccccc1[*:1]
Cc1ccc(-c2noc3c(=O)n(CCC(=O)Nc4nc5ccc(C)cc5s4)cnc23)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2nc(NC(=O)CCn3cnc4c(noc4c3=O)[*:1])sc2c1
Cc1ccc(-c2noc3c(=O)n(CCC(=O)Nc4nc5ccc(C)cc5s4)cnc23)cc1 Cc1ccc2nc(sc2c1)[*:1] Cc1ccc(cc1)-c1noc2c(=O)n(cnc12)CCC(=O)N[*:1]
O=C1C[C@H](C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CN1CC1CC1 c1ccc2c(c[nH]c2c1)[*:1] O=C1C[C@@H](CN1CC1CC1)C(=O)N1CCC(CC1)[*:1]
O=C1C[C@H](C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CN1CC1CC1 C1CC1C[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC(CC1)c1c[nH]c2ccccc12
O=C1C[C@H](C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CN1CC1CC1 C1CC1[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1CCC(CC1)c1c[nH]c2ccccc12
CCCC(=O)N1CCc2sccc2[C@@H]1C(=O)OC COC(=O)[*:1] CCCC(=O)N1CCc2sccc2[C@H]1[*:1]
CCCC(=O)N1CCc2sccc2[C@@H]1C(=O)OC CCC[*:1] COC(=O)[C@H]1c2ccsc2CCN1C(=O)[*:1]
COc1ccc([C@H](C)CC(=O)N2C[C@@H](C)NC(=O)c3ccc(F)cc32)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)C[C@@H](C)[*:1])c2cc(F)ccc2C(=O)N1
O=C(COc1ccc2ccccc2c1)NCC1CCN(C(=O)c2ccccn2)CC1 c1ccc2cc(ccc2c1)[*:1] O=C(CO[*:1])NCC1CCN(CC1)C(=O)c1ccccn1
O=C(COc1ccc2ccccc2c1)NCC1CCN(C(=O)c2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(COc1ccc2ccccc2c1)NCC1CCN(CC1)C(=O)[*:1]
Cc1oc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N1C[C@H](C)O[C@H](C)C1
Cc1ccc(NNC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(NN[*:1])c1ccn(n1)-c1ccc(F)cc1
Cc1ccc(NNC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1Cl Fc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NNC(=O)c1ccn(n1)[*:1]
Nc1nc(-c2ccccc2C2CC2)nc2c1CCCC2 C1CC1[*:1] Nc1nc(nc2CCCCc12)-c1ccccc1[*:1]
C[C@@H]1C[NH+](C[C@@](C)(C=O)c2ccccc2)C[C@H]1C c1ccc(cc1)[*:1] C[C@@H]1C[NH+](C[C@H]1C)C[C@@](C)(C=O)[*:1]
Cc1ccc(-c2csc(NC(=O)c3c(C)nn4cccnc34)n2)cc1 Cc1ccc(cc1)[*:1] Cc1nn2cccnc2c1C(=O)Nc1nc(cs1)[*:1]
CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCO2)[NH+](C)C)cc1 C1CO[C@@H](C1)[*:1] CCc1ccc(cc1)[C@@H](CNC(=O)NC[*:1])[NH+](C)C
CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCO2)[NH+](C)C)cc1 C1CO[C@@H](C1)C[*:1] CCc1ccc(cc1)[C@@H](CNC(=O)N[*:1])[NH+](C)C
Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)o2)c1 c1csc(c1)[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)Sc1nnc(o1)[*:1]
Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)o2)c1 Cc1cccc(c1)[*:1] C[C@@H](Sc1nnc(o1)-c1cccs1)C(=O)N[*:1]
COc1ccc(CC(=O)CCc2ccsc2)cn1 c1cc(cs1)[*:1] COc1ccc(cn1)CC(=O)CC[*:1]
COc1ccc(CC(=O)CCc2ccsc2)cn1 c1cc(cs1)C[*:1] COc1ccc(cn1)CC(=O)C[*:1]
O=C(N[C@H](CO)c1ccco1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)cc1F
O=C(N[C@H](CO)c1ccco1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 OC[C@H](c1ccco1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)cc1F
O=C(N[C@H](CO)c1ccco1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] O=C(N[C@H](CO)c1ccco1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(S(=O)(=O)NS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)NS(=O)(=O)[*:1]
O=C1N=C([O-])[C@@]2(Cc3ccccc3N3CCOC[C@H]32)C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1N=C([O-])[C@@]2(Cc3ccccc3N3CCOC[C@H]32)C(=O)N1[*:1]
COC(=O)[C@H](c1ccc2ccccc2c1)[C@H](C(C)C)N1CCOCC1 COC(=O)[*:1] CC(C)[C@@H]([C@@H](c1ccc2ccccc2c1)[*:1])N1CCOCC1
COC(=O)[C@H](c1ccc2ccccc2c1)[C@H](C(C)C)N1CCOCC1 C1CN(CCO1)[*:1] COC(=O)[C@H](c1ccc2ccccc2c1)[C@H](C(C)C)[*:1]
COC(=O)[C@H](c1ccc2ccccc2c1)[C@H](C(C)C)N1CCOCC1 CC(C)[*:1] COC(=O)[C@H](c1ccc2ccccc2c1)[C@H](N1CCOCC1)[*:1]
O=C(Nc1ccccc1C(=O)NCCc1cn2ccccc2n1)c1cccs1 c1csc(c1)[*:1] O=C(NCCc1cn2ccccc2n1)c1ccccc1NC(=O)[*:1]
O=C(Nc1ccccc1C(=O)NCCc1cn2ccccc2n1)c1cccs1 c1ccn2cc(nc2c1)[*:1] O=C(Nc1ccccc1C(=O)NCC[*:1])c1cccs1
O=C(Nc1ccccc1C(=O)NCCc1cn2ccccc2n1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(NCCc1cn2ccccc2n1)c1ccccc1[*:1]
O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1csc(-c2ccccc2)n1 O=C(N1CCOCC1)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])c1csc(n1)-c1ccccc1
O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1csc(n1)[*:1]
O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(O[C@@H](C(=O)N1CCOCC1)[*:1])c1csc(n1)-c1ccccc1
O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 Clc1ccc(s1)[*:1] O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NNC(=O)c1ccc2OCOc2c1)N[*:1]
CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cc(C)c(CC)s2)C1 CCc1sc(cc1C)[*:1] CCOC(=O)N1CCC[C@H](C1)C(=O)NNC(=O)[*:1]
COC[C@H](NC(=O)Cc1ccc(C)c(O)c1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@H](NC(=O)Cc1ccc(C)c(O)c1)[*:1]
COC[C@H](NC(=O)Cc1ccc(C)c(O)c1)c1ccccc1 COC[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](c1ccccc1)[*:1]
CCOC(=O)/C=C/c1ccc(-c2cc(Cl)c(C)cc2[N+](=O)[O-])o1 CCOC(=O)C=C[*:1] Cc1cc(c(cc1Cl)-c1ccc(o1)[*:1])[N+](=O)[O-]
CCOC(=O)/C=C/c1ccc(-c2cc(Cl)c(C)cc2[N+](=O)[O-])o1 CCOC(=O)[*:1] Cc1cc(c(cc1Cl)-c1ccc(C=C[*:1])o1)[N+](=O)[O-]
CCOC(=O)/C=C/c1ccc(-c2cc(Cl)c(C)cc2[N+](=O)[O-])o1 O=[N+]([O-])[*:1] CCOC(=O)/C=C/c1ccc(o1)-c1cc(Cl)c(C)cc1[*:1]
Cn1ncc2c1CCC[C@H]2NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 Brc1ccccc1[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 O=S(=O)(N1CCCCC1)[*:1] O=C(Cc1ccc(s1)[*:1])N1CCC[NH+](CC1)Cc1ccc(Cl)cc1
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Cc1ccc(s1)S(=O)(=O)N1CCCCC1)N1CCC[NH+](CC1)C[*:1]
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] O=C(Cc1ccc(s1)S(=O)(=O)N1CCCCC1)N1CCC[NH+](CC1)[*:1]
Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 Cc1ccc(cc1)OC[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)N1CCN(CC1)C(=O)CO[*:1]
Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 Cc1ccc(cc1)O[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)NC1CCCC1 C1CN(CCO1)[*:1] O=C(NC[C@H](c1ccc2OCOc2c1)[*:1])C(=O)NC1CCCC1
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)NC1CCCC1 c1cc2OCOc2cc1[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])C(=O)NC1CCCC1
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(NC[C@H](c1ccc2OCOc2c1)N1CCOCC1)C(=O)N[*:1]
CNC(=O)C1CCN(c2nc(Cl)ncc2Br)CC1 CNC(=O)[*:1] Clc1ncc(Br)c(n1)N1CCC(CC1)[*:1]
O=C(/C=C/c1cccc(F)c1)Nc1cccc2cccnc12 Fc1cccc(c1)[*:1] O=C(C=C[*:1])Nc1cccc2cccnc12
COc1ccc([C@@H]([NH2+]C[C@@H]2CSCCS2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H]([NH2+]C[C@@H]1CSCCS1)[*:1]
CC1=NC(=S)[C@H]2C(=O)O/C(=C\[C@H]3C=NN=C3c3cccs3)C2=C1 c1csc(c1)[*:1] CC1C=C2/C(=C/[C@H]3C=NN=C3[*:1])OC(=O)[C@@H]2C(=S)N=1
COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 COC(=O)[*:1] Cc1ccc(cc1S(=O)(=O)N[C@@H](C)c1cccc(c1)C(F)(F)F)[*:1]
COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] COC(=O)c1ccc(C)c(c1)S(=O)(=O)N[C@@H](C)c1cccc(c1)[*:1]
C[C@@H](Cn1cccn1)[NH2+][C@H](C)c1cc(F)cc(F)c1 c1cnn(c1)C[*:1] C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)[*:1]
C[C@@H](Cn1cccn1)[NH2+][C@H](C)c1cc(F)cc(F)c1 c1cnn(c1)[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)c1cc(F)cc(F)c1
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)n2nc(N3CCOCC3)c(C#N)c2N1 C1CN(CCO1)[*:1] CC1Nc2c(C#N)c(nn2[C@@H](C=1C(=O)Nc1ccc(Cl)cc1)c1ccccc1)[*:1]
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)n2nc(N3CCOCC3)c(C#N)c2N1 Clc1ccc(cc1)[*:1] CC1Nc2c(C#N)c(nn2[C@@H](C=1C(=O)N[*:1])c1ccccc1)N1CCOCC1
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)n2nc(N3CCOCC3)c(C#N)c2N1 O=C(Nc1ccc(Cl)cc1)[*:1] CC1Nc2c(C#N)c(nn2[C@@H](C=1[*:1])c1ccccc1)N1CCOCC1
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)n2nc(N3CCOCC3)c(C#N)c2N1 c1ccc(cc1)[*:1] CC1Nc2c(C#N)c(nn2[C@H](C=1C(=O)Nc1ccc(Cl)cc1)[*:1])N1CCOCC1
Cc1ccc(CCC2CCN(C(=O)CN3CCN(CCO)CC3)CC2)cc1 OCCN1CCN(CC1)[*:1] Cc1ccc(cc1)CCC1CCN(CC1)C(=O)C[*:1]
Cc1ccc(CCC2CCN(C(=O)CN3CCN(CCO)CC3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(CCO)CC1)N1CCC(CC1)CC[*:1]
Cc1ccc(CCC2CCN(C(=O)CN3CCN(CCO)CC3)CC2)cc1 Cc1ccc(cc1)CC[*:1] O=C(CN1CCN(CCO)CC1)N1CCC(CC1)[*:1]
Cc1ccc(CCC2CCN(C(=O)CN3CCN(CCO)CC3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(CN1CCN(CCO)CC1)N1CCC(CC1)C[*:1]
Cc1ccc(CCC2CCN(C(=O)CN3CCN(CCO)CC3)CC2)cc1 OCC[*:1] Cc1ccc(cc1)CCC1CCN(CC1)C(=O)CN1CCN(CC1)[*:1]
CCOC(=O)c1ccc(-c2coc3cc(O)cc(O)c3c2=O)o1 CCOC(=O)[*:1] O=c1c(coc2cc(O)cc(O)c12)-c1ccc(o1)[*:1]
Cc1csc(S[C@H]2CC[C@](C#N)(NC3CC3)C2)n1 Cc1csc(n1)[*:1] N#C[C@@]1(CC[C@@H](C1)S[*:1])NC1CC1
Cc1csc(S[C@H]2CC[C@](C#N)(NC3CC3)C2)n1 C1CC1N[*:1] Cc1csc(n1)S[C@H]1CC[C@](C#N)(C1)[*:1]
Cc1csc(S[C@H]2CC[C@](C#N)(NC3CC3)C2)n1 C1CC1[*:1] Cc1csc(n1)S[C@H]1CC[C@@](C#N)(C1)N[*:1]
COCCCCCNC(=O)c1cncc(Br)c1 COC[*:1] O=C(NCCCC[*:1])c1cncc(Br)c1
COCCCCCNC(=O)c1cncc(Br)c1 COCCC[*:1] O=C(NCC[*:1])c1cncc(Br)c1
COCCCCCNC(=O)c1cncc(Br)c1 COCC[*:1] O=C(NCCC[*:1])c1cncc(Br)c1
COc1c(F)cc(NC(=O)CCOc2ccccc2F)cc1F Fc1ccccc1[*:1] COc1c(F)cc(cc1F)NC(=O)CCO[*:1]
CCOCCCNC(=O)[C@H]1c2c(n(C)c3ccccc23)SCC(=O)N1c1cccc(Cl)c1 CCOC[*:1] Cn1c2SCC(=O)N(c3cccc(Cl)c3)[C@@H](C(=O)NCC[*:1])c2c2ccccc21
CCOCCCNC(=O)[C@H]1c2c(n(C)c3ccccc23)SCC(=O)N1c1cccc(Cl)c1 CCO[*:1] Cn1c2SCC(=O)N(c3cccc(Cl)c3)[C@@H](C(=O)NCCC[*:1])c2c2ccccc21
CCOCCCNC(=O)[C@H]1c2c(n(C)c3ccccc23)SCC(=O)N1c1cccc(Cl)c1 CCOCC[*:1] Cn1c2SCC(=O)N(c3cccc(Cl)c3)[C@@H](C(=O)NC[*:1])c2c2ccccc21
CCOCCCNC(=O)[C@H]1c2c(n(C)c3ccccc23)SCC(=O)N1c1cccc(Cl)c1 CCOCCC[*:1] Cn1c2SCC(=O)N(c3cccc(Cl)c3)[C@@H](C(=O)N[*:1])c2c2ccccc21
CCOCCCNC(=O)[C@H]1c2c(n(C)c3ccccc23)SCC(=O)N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCOCCCNC(=O)[C@H]1c2c(SCC(=O)N1[*:1])n(C)c1ccccc21
CCOCCCNC(=O)[C@H]1c2c(n(C)c3ccccc23)SCC(=O)N1c1cccc(Cl)c1 CCOCCCNC(=O)[*:1] Cn1c2SCC(=O)N(c3cccc(Cl)c3)[C@H](c2c2ccccc21)[*:1]
O=C(N[C@@H](CO)c1ccccc1F)c1cn(-c2ccc(F)cc2)nn1 Fc1ccccc1[*:1] O=C(N[C@@H](CO)[*:1])c1cn(nn1)-c1ccc(F)cc1
O=C(N[C@@H](CO)c1ccccc1F)c1cn(-c2ccc(F)cc2)nn1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](CO)c1ccccc1F)c1cn(nn1)[*:1]
c1ccc2oc(SCc3noc(-c4ccsc4)n3)nc2c1 c1cc(cs1)[*:1] c1ccc2oc(nc2c1)SCc1noc(n1)[*:1]
Cc1cc(C#N)cc(C)c1OCC[C@H]1CCCC1=O O=C1CCC[C@@H]1[*:1] Cc1cc(C#N)cc(C)c1OCC[*:1]
Cc1nn(C)c(Cl)c1CNC[C@@H](c1ccc(F)cc1)N1CCOCC1 Fc1ccc(cc1)[*:1] Cc1nn(C)c(Cl)c1CNC[C@@H](N1CCOCC1)[*:1]
Cc1nn(C)c(Cl)c1CNC[C@@H](c1ccc(F)cc1)N1CCOCC1 Cc1nn(C)c(Cl)c1[*:1] Fc1ccc(cc1)[C@H](CNC[*:1])N1CCOCC1
Cc1nn(C)c(Cl)c1CNC[C@@H](c1ccc(F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] Cc1nn(C)c(Cl)c1CNC[C@@H](c1ccc(F)cc1)[*:1]
Cc1ccc(CC(=O)NCc2cn(-c3ccccc3)nc2C(C)C)cc1O Cc1ccc(cc1O)C[*:1] CC(C)c1nn(cc1CNC(=O)[*:1])-c1ccccc1
Cc1ccc(CC(=O)NCc2cn(-c3ccccc3)nc2C(C)C)cc1O Cc1ccc(cc1O)[*:1] CC(C)c1nn(cc1CNC(=O)C[*:1])-c1ccccc1
Cc1ccc(CC(=O)NCc2cn(-c3ccccc3)nc2C(C)C)cc1O c1ccc(cc1)[*:1] Cc1ccc(cc1O)CC(=O)NCc1cn(nc1C(C)C)[*:1]
Cc1ccc(CC(=O)NCc2cn(-c3ccccc3)nc2C(C)C)cc1O CC(C)[*:1] Cc1ccc(cc1O)CC(=O)NCc1cn(nc1[*:1])-c1ccccc1
COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1 COC(=O)C[*:1] O=C(NC(=S)N1CCNC(=O)[C@H]1[*:1])c1ccccc1
COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)[*:1]
COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1 COC(=O)[*:1] O=C(NC(=S)N1CCNC(=O)[C@H]1C[*:1])c1ccccc1
Cc1ccc([C@](C)([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 Cc1ccc(cc1)[*:1] C[C@]([NH3+])(C[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
Clc1cccn2c(-c3ccco3)nnc12 c1coc(c1)[*:1] Clc1cccn2c(nnc12)[*:1]
COc1ccc(CNC(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1F COc1ccc(cc1F)[*:1] Cc1ccccc1[C@@H]1CN(C(=O)NC[*:1])[C@H](C)CO1
COc1ccc(CNC(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1F Cc1ccccc1[*:1] COc1ccc(cc1F)CNC(=O)N1C[C@@H](OC[C@H]1C)[*:1]
O=C([O-])C(F)(F)[C@H](O)c1ccccc1C1CC1 O=C([O-])[*:1] O[C@H](c1ccccc1C1CC1)C(F)(F)[*:1]
O=C([O-])C(F)(F)[C@H](O)c1ccccc1C1CC1 C1CC1[*:1] O=C([O-])C(F)(F)[C@H](O)c1ccccc1[*:1]
O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cnccn1 O=C(N[*:1])c1cnccn1 c1cnn(c1)-c1ccc(nn1)Nc1ccc(cc1)[*:1]
O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1ccc(cc1)Nc1ccc(nn1)-n1cccn1)[*:1]
O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cnccn1 c1cnn(c1)[*:1] O=C(Nc1ccc(cc1)Nc1ccc(nn1)[*:1])c1cnccn1
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)N1CCc2cc(F)ccc2C1 CC(C)(C)[*:1] O=C([C@@H]1C[C@H]2CC[C@@H]1N2C(=O)O[*:1])N1CCc2cc(F)ccc2C1
c1ccc(Cc2nc(Cn3cc(-c4cncnc4)nn3)cs2)cc1 c1ccc(cc1)[*:1] c1ncc(cn1)-c1cn(Cc2csc(C[*:1])n2)nn1
c1ccc(Cc2nc(Cn3cc(-c4cncnc4)nn3)cs2)cc1 c1ncc(cn1)[*:1] c1ccc(cc1)Cc1nc(cs1)Cn1cc(nn1)[*:1]
c1ccc(Cc2nc(Cn3cc(-c4cncnc4)nn3)cs2)cc1 c1ccc(cc1)C[*:1] c1ncc(cn1)-c1cn(Cc2csc(n2)[*:1])nn1
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(c1)[*:1]
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(N2CCOC2=O)c1 Fc1ccccc1C[*:1] C=CCN(C(=O)Nc1cccc(c1)N1CCOC1=O)[*:1]
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(N2CCOC2=O)c1 C=CC[*:1] O=C1OCCN1c1cccc(c1)NC(=O)N(Cc1ccccc1F)[*:1]
C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(N2CCOC2=O)c1 Fc1ccccc1[*:1] C=CCN(C[*:1])C(=O)Nc1cccc(c1)N1CCOC1=O
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 c1csc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])[C@@H]1CCCN1C(=O)c1ccc(Br)cc1
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCN1C(=O)[*:1]
CCN(CC(C)(C)C[NH3+])[C@@H](c1ccccc1)C(C)C c1ccc(cc1)[*:1] CCN(CC(C)(C)C[NH3+])[C@@H](C(C)C)[*:1]
CCN(CC(C)(C)C[NH3+])[C@@H](c1ccccc1)C(C)C CC(C)[*:1] CCN(CC(C)(C)C[NH3+])[C@@H](c1ccccc1)[*:1]
N#C[C@H](NCc1ccccc1)c1ccc(C2CC2)cc1 C1CC1[*:1] N#C[C@H](NCc1ccccc1)c1ccc(cc1)[*:1]
N#C[C@H](NCc1ccccc1)c1ccc(C2CC2)cc1 c1ccc(cc1)[*:1] N#C[C@H](NC[*:1])c1ccc(cc1)C1CC1
CC(C)C[C@H](C)N(C)c1ccc2nnc(C(F)(F)F)n2n1 FC(F)(F)[*:1] CC(C)C[C@H](C)N(C)c1ccc2nnc(n2n1)[*:1]
CC(C)C[C@H](C)N(C)c1ccc2nnc(C(F)(F)F)n2n1 CC(C)C[C@H](C)[*:1] CN(c1ccc2nnc(n2n1)C(F)(F)F)[*:1]
CC(C)C[C@H](C)N(C)c1ccc2nnc(C(F)(F)F)n2n1 CC(C)[*:1] C[C@@H](C[*:1])N(C)c1ccc2nnc(n2n1)C(F)(F)F
CC(C)C[C@H](C)N(C)c1ccc2nnc(C(F)(F)F)n2n1 CC(C)C[*:1] C[C@H](N(C)c1ccc2nnc(n2n1)C(F)(F)F)[*:1]
CCCCNC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 CCC[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)NC(=O)NC[*:1]
CCCCNC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 CC(C)[*:1] CCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N(C)[*:1]
CCCCNC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 CCCC[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)NC(=O)N[*:1]
CCS(=O)(=O)CCNS(=O)(=O)c1ccccc1F CCS(=O)(=O)[*:1] O=S(=O)(NCC[*:1])c1ccccc1F
CCS(=O)(=O)CCNS(=O)(=O)c1ccccc1F CCS(=O)(=O)C[*:1] O=S(=O)(NC[*:1])c1ccccc1F
COC(=O)/C=C1\CC[C@@H]2[C@H]3CC=C4C=C(OC)CC[C@]4(C)[C@H]3C(=O)C[C@@]12C COC(=O)[*:1] COC1=CC2=CC[C@H]3[C@H](C(=O)C[C@@]4(C)C(=C[*:1])CC[C@H]34)[C@@]2(C)CC1
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH]ncc43)C2)c1 CCOC(=O)[*:1] O=C([C@@H]1CCCc2[nH]ncc21)N1CCC[C@H](C1)n1cc(cn1)[*:1]
CC[NH2+][C@@H]1CC[C@H](N2CCn3c(nnc3C(F)(F)F)C2)C1 FC(F)(F)[*:1] CC[NH2+][C@@H]1CC[C@@H](C1)N1CCn2c(C1)nnc2[*:1]
O=C(Cc1cccs1)NCCNC(=O)c1ccccc1 c1csc(c1)[*:1] O=C(C[*:1])NCCNC(=O)c1ccccc1
O=C(Cc1cccs1)NCCNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cccs1)NCCNC(=O)[*:1]
O=C(Cc1cccs1)NCCNC(=O)c1ccccc1 c1csc(c1)C[*:1] O=C(NCCNC(=O)[*:1])c1ccccc1
N#CCc1ccc(OCC(=O)[O-])cc1 N#CC[*:1] O=C([O-])COc1ccc(cc1)[*:1]
N#CCc1ccc(OCC(=O)[O-])cc1 O=C([O-])[*:1] N#CCc1ccc(cc1)OC[*:1]
N#CCc1ccc(OCC(=O)[O-])cc1 O=C([O-])C[*:1] N#CCc1ccc(cc1)O[*:1]
Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1Br Brc1ccccc1[*:1] Cc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
CC[C@@H](CCO)CNC(=O)c1cc(F)ccc1Br CC[C@@H](CCO)[*:1] O=C(NC[*:1])c1cc(F)ccc1Br
CC[C@@H](CCO)CNC(=O)c1cc(F)ccc1Br OCC[*:1] CC[C@@H](CNC(=O)c1cc(F)ccc1Br)[*:1]
COc1ccc2nc(-n3nc(C)cc3NC(=O)c3ccc([N+](=O)[O-])s3)sc2c1 O=[N+]([O-])c1ccc(s1)[*:1] COc1ccc2nc(sc2c1)-n1nc(C)cc1NC(=O)[*:1]
COc1ccc2nc(-n3nc(C)cc3NC(=O)c3ccc([N+](=O)[O-])s3)sc2c1 O=[N+]([O-])[*:1] COc1ccc2nc(sc2c1)-n1nc(C)cc1NC(=O)c1ccc(s1)[*:1]
CCOC(=O)c1ccc(NC(=O)Cc2cc(=O)oc3cc(C)ccc23)cc1 CCOC(=O)[*:1] Cc1ccc2c(cc(=O)oc2c1)CC(=O)Nc1ccc(cc1)[*:1]
Cc1c(NC(=O)c2cccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2)c(=O)n(-c2ccccc2)n1C O=C([O-])[*:1] Cc1c(NC(=O)c2cccc(c2)NC(=O)[C@H]2CC=CC[C@@H]2[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)c2cccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)c2cccc(c2)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(=O)n(n1C)[*:1]
C[C@H](Oc1ccc(/C=C\C(=O)c2ccccc2)cc1)C(=O)[O-] c1ccc(cc1)[*:1] C[C@H](Oc1ccc(/C=C\C(=O)[*:1])cc1)C(=O)[O-]
C[C@H](Oc1ccc(/C=C\C(=O)c2ccccc2)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](Oc1ccc(/C=C\C(=O)c2ccccc2)cc1)[*:1]
COc1ccc(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)[*:1]
CCSCC[C@@H](C)NC(=O)N1CCS[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CCSCC[C@@H](C)NC(=O)N1CCS[C@@H](C1)[*:1]
CCSCC[C@@H](C)NC(=O)N1CCS[C@@H](c2ccccc2)C1 CCSCC[C@@H](C)[*:1] O=C(N[*:1])N1CCS[C@H](C1)c1ccccc1
CCSCC[C@@H](C)NC(=O)N1CCS[C@@H](c2ccccc2)C1 CCSC[*:1] C[C@H](C[*:1])NC(=O)N1CCS[C@H](C1)c1ccccc1
CCSCC[C@@H](C)NC(=O)N1CCS[C@@H](c2ccccc2)C1 CCSCC[*:1] C[C@@H](NC(=O)N1CCS[C@H](C1)c1ccccc1)[*:1]
CCSCC[C@@H](C)NC(=O)N1CCS[C@@H](c2ccccc2)C1 CCS[*:1] C[C@H](CC[*:1])NC(=O)N1CCS[C@H](C1)c1ccccc1
O=C(NCCOc1ccc(-c2ccccc2)nn1)c1cccs1 c1csc(c1)[*:1] O=C(NCCOc1ccc(nn1)-c1ccccc1)[*:1]
O=C(NCCOc1ccc(-c2ccccc2)nn1)c1cccs1 c1ccc(cc1)[*:1] O=C(NCCOc1ccc(nn1)[*:1])c1cccs1
O=C1N/C(=N/N=C/c2ccco2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 c1coc(c1)[*:1] O=C1N/C(=N/N=C[*:1])S[C@@H]1Cc1cccc(c1)[N+](=O)[O-]
O=C1N/C(=N/N=C/c2ccco2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C1N/C(=N/N=C/c2ccco2)S[C@@H]1Cc1cccc(c1)[*:1]
C[NH+]1CCC(NC(=O)Nc2nnc(-c3ccccc3)s2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1nnc(s1)[*:1]
COc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1S(=O)(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N1C[C@@H](C)C[C@@H](C)C1
Cn1c(=O)c2c(nc(Br)n2C[C@H](O)COc2ccc(Cl)cc2Cl)n(C)c1=O Clc1ccc(O[*:1])c(Cl)c1 Cn1c(=O)c2c(nc(Br)n2C[C@H](O)C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(Br)n2C[C@H](O)COc2ccc(Cl)cc2Cl)n(C)c1=O Clc1ccc(c(Cl)c1)[*:1] Cn1c(=O)c2c(nc(Br)n2C[C@H](O)CO[*:1])n(C)c1=O
CC(=O)c1cccc(NC(=O)[C@@H](C)NCc2ccccc2)c1 CC(=O)[*:1] C[C@@H](NCc1ccccc1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](C)N[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)NCc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](C)NC[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(SCC(=O)NC(C)(C)C)nc2ccccc21 CC(C)(C)NC(=O)C[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(nc2ccccc21)S[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(SCC(=O)NC(C)(C)C)nc2ccccc21 CC(C)(C)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(nc2ccccc21)SCC(=O)N[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(SCC(=O)NC(C)(C)C)nc2ccccc21 CC(C)(C)NC(=O)CS[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(nc2ccccc21)[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(SCC(=O)NC(C)(C)C)nc2ccccc21 CC(C)(C)NC(=O)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(nc2ccccc21)SC[*:1]
Cc1ccc(-c2csc3nc(SCCCCC(=O)N(C)C)n(C)c(=O)c23)cc1C CN(C)C(=O)CCCC[*:1] Cc1ccc(cc1C)-c1csc2nc(S[*:1])n(C)c(=O)c12
Cc1ccc(-c2csc3nc(SCCCCC(=O)N(C)C)n(C)c(=O)c23)cc1C CN(C)C(=O)[*:1] Cc1ccc(cc1C)-c1csc2nc(SCCCC[*:1])n(C)c(=O)c12
Cc1ccc(-c2csc3nc(SCCCCC(=O)N(C)C)n(C)c(=O)c23)cc1C CN(C)C(=O)CCC[*:1] Cc1ccc(cc1C)-c1csc2nc(SC[*:1])n(C)c(=O)c12
Cc1ccc(-c2csc3nc(SCCCCC(=O)N(C)C)n(C)c(=O)c23)cc1C Cc1ccc(cc1C)[*:1] CN(C)C(=O)CCCCSc1nc2scc(c2c(=O)n1C)[*:1]
Cc1ccc(-c2csc3nc(SCCCCC(=O)N(C)C)n(C)c(=O)c23)cc1C CN(C)C(=O)CC[*:1] Cc1ccc(cc1C)-c1csc2nc(SCC[*:1])n(C)c(=O)c12
Cc1ccc(-c2csc3nc(SCCCCC(=O)N(C)C)n(C)c(=O)c23)cc1C CN(C)C(=O)C[*:1] Cc1ccc(cc1C)-c1csc2nc(SCCC[*:1])n(C)c(=O)c12
C[C@H](NC(N)=O)C(=O)Nc1cc(F)cc(F)c1 NC(=O)N[*:1] C[C@H](C(=O)Nc1cc(F)cc(F)c1)[*:1]
Cc1ccc(C)c(-n2ncc([C@H](C)[NH2+]C3C[C@@H](C)O[C@H](C)C3)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1c(cnn1[*:1])[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1
C[NH+](C)[C@H](CNC(=O)Nc1ccc[nH+]c1N1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccc[nH+]c1N1CCCC1)[*:1]
C[NH+](C)[C@H](CNC(=O)Nc1ccc[nH+]c1N1CCCC1)c1ccccc1 C1CCN(C1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccc[nH+]c1[*:1])c1ccccc1
Cc1nc2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2o1 O=C1CCCN1[*:1] Cc1nc2ccc(cc2o1)NC(=O)c1cccc(c1)[*:1]
CC1=Nn2c(nnc(CCC(=O)[O-])c2=O)SC1 O=C([O-])CC[*:1] CC1CSc2nnc(c(=O)n2N=1)[*:1]
CC1=Nn2c(nnc(CCC(=O)[O-])c2=O)SC1 O=C([O-])[*:1] CC1CSc2nnc(CC[*:1])c(=O)n2N=1
CC1=Nn2c(nnc(CCC(=O)[O-])c2=O)SC1 O=C([O-])C[*:1] CC1CSc2nnc(C[*:1])c(=O)n2N=1
O=C(Cn1cncn1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 C1CC(C1)C[*:1] O=C(Cn1cncn1)N1CC[C@]2(CCCN(C2=O)[*:1])C1
O=C(Cn1cncn1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 c1ncn(C[*:1])n1 O=C1N(CCC[C@]12CCN(C2)C(=O)[*:1])CC1CCC1
O=C(Cn1cncn1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 C1CC(C1)[*:1] O=C(Cn1cncn1)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
O=C(Cn1cncn1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 c1ncn(n1)[*:1] O=C(C[*:1])N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1
Nc1c(C(=O)[O-])cccc1-c1cc(F)c(F)c(F)c1 O=C([O-])[*:1] Nc1c(cccc1[*:1])-c1cc(F)c(F)c(F)c1
O=C(NC[C@H](O)c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H](O)c1ccccc1)N[*:1]
O=C(NC[C@H](O)c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H](O)[*:1])Nc1ccccc1
Cc1nnc(SCC(=O)Nc2ccc(N3CCCCC3)nc2)s1 C1CCN(CC1)[*:1] Cc1nnc(SCC(=O)Nc2ccc(nc2)[*:1])s1
Cc1nnc(SCC(=O)Nc2ccc(N3CCCCC3)nc2)s1 Cc1nnc(s1)[*:1] O=C(CS[*:1])Nc1ccc(nc1)N1CCCCC1
Cc1nnc(SCC(=O)Nc2ccc(N3CCCCC3)nc2)s1 Cc1nnc(S[*:1])s1 O=C(C[*:1])Nc1ccc(nc1)N1CCCCC1
O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(c2cnccc12)[N+](=O)[O-])Nc1ccc(Cl)cc1[*:1]
O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccc(Cl)cc1C(F)(F)F FC(F)(F)c1cc(Cl)ccc1[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(c2cnccc12)[N+](=O)[O-])N[*:1]
O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccc(Cl)cc1C(F)(F)F O=[N+]([O-])[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(c2cnccc12)[*:1])Nc1ccc(Cl)cc1C(F)(F)F
CCS(=O)(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 CCS(=O)(=O)NC[*:1] COc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CCS(=O)(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 CCS(=O)(=O)N[*:1] COc1ccc(cc1)C[NH+]1CCC(CC1)C[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCC[C@H](C)C2)cc1 CC(=O)c1ccc(cc1)[*:1] C[C@H]1CCCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCC[C@H](C)C2)cc1 C[C@H]1CCCN(C1)C(=O)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCC[C@H](C)C2)cc1 CC(=O)[*:1] C[C@H]1CCCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1]
CC[C@@H]1CCc2sc(-c3nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n3C)cc2C1 CC(C)[*:1] CC[C@@H]1CCc2sc(cc2C1)-c1nnc(S[C@@H](C(=O)NC(N)=O)[*:1])n1C
CC[C@@H]1CCc2sc(-c3nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n3C)cc2C1 NC(=O)NC(=O)[*:1] CC[C@@H]1CCc2sc(cc2C1)-c1nnc(S[C@@H](C(C)C)[*:1])n1C
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)[C@H]1CN=C2C=CC=C[C@H]21 Fc1ccc(cc1)[*:1] N#C/C(=C\c1ccc(o1)[*:1])C(=O)[C@H]1CN=C2C=CC=C[C@H]21
Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)SCC(=O)N2 Clc1ccc(cc1)[*:1] Cc1n[nH]c2NC(=O)CS[C@H](c3ccc(cc3)OC[*:1])c12
Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)SCC(=O)N2 Clc1ccc(cc1)CO[*:1] Cc1n[nH]c2NC(=O)CS[C@H](c3ccc(cc3)[*:1])c12
Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)SCC(=O)N2 Clc1ccc(cc1)C[*:1] Cc1n[nH]c2NC(=O)CS[C@H](c3ccc(cc3)O[*:1])c12
O=C(Nc1cccc2ccccc12)[C@H]1CCCC[C@H]1C(=O)OCCF FCC[*:1] O=C(Nc1cccc2ccccc12)[C@H]1CCCC[C@H]1C(=O)O[*:1]
O=C(Nc1cccc2ccccc12)[C@H]1CCCC[C@H]1C(=O)OCCF O=C(OCCF)[*:1] O=C(Nc1cccc2ccccc12)[C@H]1CCCC[C@@H]1[*:1]
C/C(Cl)=N\OC(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C/C(Cl)=N\OC(=O)Nc1ccc(cc1)[*:1]
COCc1nn2c(ncc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccccc1 CC(C)(CO)[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)[*:1])c1-c1ccccc1
COCc1nn2c(ncc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccccc1 COC[*:1] CC(C)(CO)n1ccc2c(cnc3c(-c4ccccc4)c(nn32)[*:1])c1=O
COCc1nn2c(ncc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccccc1 c1ccc(cc1)[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)C(C)(C)CO)c1[*:1]
O=C(Nc1cccc(Cl)n1)c1cnn(-c2cccc(Cl)c2)c1 Clc1cccc(n1)[*:1] O=C(N[*:1])c1cnn(c1)-c1cccc(Cl)c1
O=C(Nc1cccc(Cl)n1)c1cnn(-c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] O=C(Nc1cccc(Cl)n1)c1cnn(c1)[*:1]
C[C@@H](C(=O)NC1CCCCC1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] C[C@@H](C(=O)NC1CCCCC1)N1CCN(CC1)[C@@H](C)[*:1]
C[C@@H](C(=O)NC1CCCCC1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 C1CCC(CC1)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)[C@@H](C)C(=O)N1CCCC1
CC(C)(C)C(=O)NCCNC(=O)[C@H](O)c1ccccc1 CC(C)(C)[*:1] O=C(NCCNC(=O)[*:1])[C@H](O)c1ccccc1
CC(C)(C)C(=O)NCCNC(=O)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)NCCNC(=O)[C@H](O)[*:1]
NC(=S)c1ccc(OCCN2CCCCCCC2=O)cc1 NC(=S)[*:1] O=C1CCCCCCN1CCOc1ccc(cc1)[*:1]
COC(=O)c1cc(NCc2cc(Cl)cs2)c(F)cc1F Clc1csc(c1)[*:1] COC(=O)c1cc(NC[*:1])c(F)cc1F
COC(=O)c1cc(NCc2cc(Cl)cs2)c(F)cc1F COC(=O)[*:1] Fc1cc(F)c(cc1NCc1cc(Cl)cs1)[*:1]
CCCN(CCC)C(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 CCC[*:1] CCCN(C(=O)COc1ccc2nc3CCCn3c(=O)c2c1)[*:1]
CO[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[*:1]
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] Cc1nn(cc1[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)[*:1])C(C)(C)C
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn(cc1[C@@H](C)[NH2+][C@@H](CC(F)(F)F)[*:1])C(C)(C)C
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] Cc1nn(cc1[C@@H](C)[NH2+][C@@H](C[*:1])c1ccc(F)cc1)C(C)(C)C
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 CC(C)(C)[*:1] Cc1nn(cc1[C@@H](C)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
Nc1cnn(CC(=O)Nc2ccccc2OC(F)(F)F)c1 FC(F)(F)O[*:1] Nc1cnn(c1)CC(=O)Nc1ccccc1[*:1]
Nc1cnn(CC(=O)Nc2ccccc2OC(F)(F)F)c1 Nc1cnn(c1)C[*:1] O=C(Nc1ccccc1OC(F)(F)F)[*:1]
Nc1cnn(CC(=O)Nc2ccccc2OC(F)(F)F)c1 Nc1cnn(c1)[*:1] O=C(C[*:1])Nc1ccccc1OC(F)(F)F
Nc1cnn(CC(=O)Nc2ccccc2OC(F)(F)F)c1 FC(F)(F)[*:1] Nc1cnn(c1)CC(=O)Nc1ccccc1O[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N(CCN1CCOCC1)C3=O C1CN(CCO1)CC[*:1] Cc1cc2oc3C(=O)N([C@H](c4cccc(O)c4)c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N(CCN1CCOCC1)C3=O Oc1cccc(c1)[*:1] Cc1cc2oc3C(=O)N(CCN4CCOCC4)[C@H](c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N(CCN1CCOCC1)C3=O C1CN(CCO1)[*:1] Cc1cc2oc3C(=O)N(CC[*:1])[C@H](c4cccc(O)c4)c3c(=O)c2cc1C
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N(CCN1CCOCC1)C3=O C1CN(CCO1)C[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@H](c4cccc(O)c4)c3c(=O)c2cc1C
O=C([O-])c1cn([C@H]2CCc3ccccc3C2)c(=O)[nH]c1=O O=C([O-])[*:1] O=c1[nH]c(=O)n(cc1[*:1])[C@H]1CCc2ccccc2C1
Cn1ncc(/C(N)=N/O)c1NC(=O)c1ccccn1 N/C(=N\O)[*:1] Cn1ncc(c1NC(=O)c1ccccn1)[*:1]
Cn1ncc(/C(N)=N/O)c1NC(=O)c1ccccn1 c1ccc(nc1)[*:1] Cn1ncc(/C(N)=N/O)c1NC(=O)[*:1]
CC[C@H]1CC[C@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 c1ccc(nc1)[*:1] CC[C@H]1CC[C@@H](C1)[NH+]1CCN(CC1)C[*:1]
O=S(=O)(Cc1ccccc1Cl)C[C@H](O)CO[C@H]1CCCc2ccccc21 Clc1ccccc1C[*:1] O=S(=O)(C[C@H](O)CO[C@H]1CCCc2ccccc21)[*:1]
O=S(=O)(Cc1ccccc1Cl)C[C@H](O)CO[C@H]1CCCc2ccccc21 Clc1ccccc1[*:1] O=S(=O)(C[C@H](O)CO[C@H]1CCCc2ccccc21)C[*:1]
CCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CCc1nc2[C@@H](CCCn2n1)[NH2+]Cc1cnn(c1)[*:1]
C[C@@H]1CCc2c(C(=O)NNC(=O)C(C)(C)C)csc2C1 CC(C)(C)[*:1] C[C@@H]1CCc2c(csc2C1)C(=O)NNC(=O)[*:1]
CC[NH+]1CCN(c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])CC1 c1ccc2[nH]c(nc2c1)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
CC[NH+]1CCN(c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1[*:1])C(=O)Nc1nc2ccccc2[nH]1
Nc1[nH]ncc1CNC(=O)CCn1ccnn1 c1cn(nn1)[*:1] Nc1[nH]ncc1CNC(=O)CC[*:1]
O=C(NCCCc1ccccn1)c1ccc(N[C@@H]2CCc3cccnc32)nc1 c1ccc(C[*:1])nc1 O=C(NCC[*:1])c1ccc(nc1)N[C@@H]1CCc2cccnc21
O=C(NCCCc1ccccn1)c1ccc(N[C@@H]2CCc3cccnc32)nc1 c1ccc(CC[*:1])nc1 O=C(NC[*:1])c1ccc(nc1)N[C@@H]1CCc2cccnc21
O=C(NCCCc1ccccn1)c1ccc(N[C@@H]2CCc3cccnc32)nc1 c1ccc(CCC[*:1])nc1 O=C(N[*:1])c1ccc(nc1)N[C@@H]1CCc2cccnc21
O=C(NCCCc1ccccn1)c1ccc(N[C@@H]2CCc3cccnc32)nc1 c1ccc(nc1)[*:1] O=C(NCCC[*:1])c1ccc(nc1)N[C@@H]1CCc2cccnc21
Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c(Cl)c1 Cc1cc(C)c(c(Cl)c1)[*:1] O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)N[*:1]
Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c(Cl)c1 c1csc(c1)[*:1] Cc1cc(C)c(NC(=O)CSc2nnc(n2C[C@H]2CCCO2)[*:1])c(Cl)c1
O=C(Cc1ccc(F)c(F)c1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 Fc1ccc(cc1F)[*:1] O=C(C[*:1])NC[C@@H](O)c1cccc(c1)C(F)(F)F
O=C(Cc1ccc(F)c(F)c1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cc1ccc(F)c(F)c1)NC[C@@H](O)c1cccc(c1)[*:1]
O=C(NCCN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 FC(F)(F)[*:1] O=C(NCCN1CCN(CC1)C(=O)c1cccc(c1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCCN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 FC(F)(F)c1cccc(c1)[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCCN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCN1CCN(CC1)C(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC(=O)N(C1)[*:1]
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)OC3)c2ccccc21 FC(F)(F)c1cccc(c1)[*:1] C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(C3COC(=O)C=32)[*:1])c2ccccc21
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)OC3)c2ccccc21 FC(F)(F)[*:1] C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(C3COC(=O)C=32)c2cccc(c2)[*:1])c2ccccc21
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)OC3)c2ccccc21 C#CC[*:1] N#CC1=C(N)N(C2COC(=O)C=2[C@@]12C(=O)N(c1ccccc12)[*:1])c1cccc(c1)C(F)(F)F
Cc1cccc(N2C[C@@H](C(=O)N(C)Cc3cnn(C)c3)CC2=O)c1C Cn1cc(cn1)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)N(C)C[*:1]
Cc1cccc(N2C[C@@H](C(=O)N(C)Cc3cnn(C)c3)CC2=O)c1C Cc1cccc(c1C)[*:1] CN(Cc1cnn(C)c1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1cccc(N2C[C@@H](C(=O)N(C)Cc3cnn(C)c3)CC2=O)c1C Cn1cc(cn1)C[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)N(C)[*:1]
COc1cccc(C(=O)N2CCC(CN3CCOCC3)CC2)c1O C1CN(CCO1)C[*:1] COc1cccc(C(=O)N2CCC(CC2)[*:1])c1O
COc1cccc(C(=O)N2CCC(CN3CCOCC3)CC2)c1O C1CN(CCO1)[*:1] COc1cccc(C(=O)N2CCC(CC2)C[*:1])c1O
NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc(nc2ccccc12)[*:1]
NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(nc2ccccc12)-c1ccccc1
Cc1nc(C(C)C)sc1C(=O)NCc1ccc(C)n1C CC(C)[*:1] Cc1nc(sc1C(=O)NCc1ccc(C)n1C)[*:1]
CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccn(CC)n1 CCC[*:1] CCn1ccc(n1)C(=O)Nc1cn(CC)nc1C(=O)N[*:1]
CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccn(CC)n1 CCn1ccc(n1)[*:1] CCCNC(=O)c1nn(cc1NC(=O)[*:1])CC
CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccn(CC)n1 CCCNC(=O)[*:1] CCn1ccc(n1)C(=O)Nc1cn(CC)nc1[*:1]
CC(C)CC(=O)Nc1cc(=O)n(C)c(=O)n1C CC(C)[*:1] Cn1c(cc(=O)n(C)c1=O)NC(=O)C[*:1]
CC(C)CC(=O)Nc1cc(=O)n(C)c(=O)n1C CC(C)C[*:1] Cn1c(cc(=O)n(C)c1=O)NC(=O)[*:1]
O=C(NCCC[NH+]1CCCCC1)NCc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] O=C(NCCC[NH+]1CCCCC1)NCc1ccc(nc1)[*:1]
CCOCCN(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 CCOCC[*:1] CN(c1ccc(cn1)S(=O)(=O)N1CC[NH+](C)CC1)[*:1]
CCOCCN(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 CCOCCN(C)[*:1] C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(nc1)[*:1]
CCOCCN(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 CCO[*:1] CN(CC[*:1])c1ccc(cn1)S(=O)(=O)N1CC[NH+](C)CC1
CCOCCN(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 CCOC[*:1] CN(C[*:1])c1ccc(cn1)S(=O)(=O)N1CC[NH+](C)CC1
CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(c1)[*:1]
CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])c1cc(ccc1Cl)[*:1] CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2[*:1]
C#CCOc1ccc2ccccc2c1C[NH2+][C@@H](C)CC C#CCO[*:1] CC[C@H](C)[NH2+]Cc1c(ccc2ccccc12)[*:1]
C#CCOc1ccc2ccccc2c1C[NH2+][C@@H](C)CC C#CC[*:1] CC[C@H](C)[NH2+]Cc1c(ccc2ccccc12)O[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)/C=C/c2ccccc2)n1 Cc1cc(C)n(n1)[*:1] O=C(/C=C/c1ccccc1)NNC(=O)C[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)/C=C/c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)NNC(=O)C=C[*:1])n1
CC(C)N(Cc1ccccc1)C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 c1ccc(cc1)C[*:1] CC(C)N(C(=O)Cn1nnc(n1)-c1cccc(c1)C(F)(F)F)[*:1]
CC(C)N(Cc1ccccc1)C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 CC(C)[*:1] O=C(Cn1nnc(n1)-c1cccc(c1)C(F)(F)F)N(Cc1ccccc1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] CC(C)N(Cc1ccccc1)C(=O)Cn1nnc(n1)-c1cccc(c1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)Cn1nnc(n1)-c1cccc(c1)C(F)(F)F
CCc1nn(C)c2c1nc(CCCl)n2CC(=O)NC1CC1 ClCC[*:1] CCc1nn(C)c2c1nc(n2CC(=O)NC1CC1)[*:1]
CCc1nn(C)c2c1nc(CCCl)n2CC(=O)NC1CC1 O=C(C[*:1])NC1CC1 CCc1nn(C)c2c1nc(CCCl)n2[*:1]
CCc1nn(C)c2c1nc(CCCl)n2CC(=O)NC1CC1 C1CC1[*:1] CCc1nn(C)c2c1nc(CCCl)n2CC(=O)N[*:1]
CCc1nn(C)c2c1nc(CCCl)n2CC(=O)NC1CC1 O=C(NC1CC1)[*:1] CCc1nn(C)c2c1nc(CCCl)n2C[*:1]
O=C1CCCCCN1Cc1nc([C@@]2(c3ccc(F)cc3)CCOC2)no1 Fc1ccc(cc1)[*:1] O=C1CCCCCN1Cc1nc(no1)[C@]1(CCOC1)[*:1]
O=C1CCCCCN1Cc1nc([C@@]2(c3ccc(F)cc3)CCOC2)no1 O=C1CCCCCN1[*:1] Fc1ccc(cc1)[C@@]1(CCOC1)c1noc(C[*:1])n1
C[C@@H](Cl)C(=O)Nc1c(F)cccc1F C[C@@H](Cl)[*:1] O=C(Nc1c(F)cccc1F)[*:1]
CO[C@H]1O[C@@H](OC)c2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CO[C@H]1O[C@@H](OC)c2cc(ccc21)[*:1]
COc1c(Cl)cc(-c2noc(C)c2C(=O)NCCc2ccccc2)cc1Cl c1ccc(cc1)C[*:1] COc1c(Cl)cc(cc1Cl)-c1noc(C)c1C(=O)NC[*:1]
COc1c(Cl)cc(-c2noc(C)c2C(=O)NCCc2ccccc2)cc1Cl c1ccc(cc1)CC[*:1] COc1c(Cl)cc(cc1Cl)-c1noc(C)c1C(=O)N[*:1]
COc1c(Cl)cc(-c2noc(C)c2C(=O)NCCc2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1c(Cl)cc(cc1Cl)-c1noc(C)c1C(=O)NCC[*:1]
Clc1ccc(OCCN2CCOCC2)c2ncccc12 C1CN(CCO1)[*:1] Clc1ccc(OCC[*:1])c2ncccc12
C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1C(N)=O)[NH+]1CCSCC1 C1CCN(CC1)[*:1] C[C@H](C(=O)Nc1ccc(cc1C(N)=O)[*:1])[NH+]1CCSCC1
C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1C(N)=O)[NH+]1CCSCC1 NC(=O)[*:1] C[C@H](C(=O)Nc1ccc(cc1[*:1])N1CCCCC1)[NH+]1CCSCC1
CN(CCC[NH+](C)C)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 C[NH+](C)CC[*:1] CN(C[*:1])C(=O)[C@@H]1C=C[C@H]([NH3+])C1
COC(=O)N1CCc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2C1 Clc1cc(c(Cl)s1)[*:1] COC(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
Cc1ccc(-n2c(=O)c3ccccc3n3c(SC[C@H](O)COc4ccccc4)nnc23)cc1 c1ccc(cc1)OC[*:1] Cc1ccc(cc1)-n1c(=O)c2ccccc2n2c(nnc12)SC[C@H](O)[*:1]
Cc1ccc(-n2c(=O)c3ccccc3n3c(SC[C@H](O)COc4ccccc4)nnc23)cc1 c1ccc(cc1)O[*:1] Cc1ccc(cc1)-n1c(=O)c2ccccc2n2c(nnc12)SC[C@H](O)C[*:1]
Cc1ccc(-n2c(=O)c3ccccc3n3c(SC[C@H](O)COc4ccccc4)nnc23)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(=O)c2ccccc2n2c(nnc12)SC[C@H](O)CO[*:1]
Cc1ccc(-n2c(=O)c3ccccc3n3c(SC[C@H](O)COc4ccccc4)nnc23)cc1 Cc1ccc(cc1)[*:1] O=c1c2ccccc2n2c(nnc2n1[*:1])SC[C@H](O)COc1ccccc1
COc1ccc(Nc2ncnc3ccc(C)cc23)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])Nc1ncnc2ccc(C)cc12
CC(=O)Nc1ccc(Br)cc1N[C@@H]1CCN(C(C)C)C1=O CC(=O)N[*:1] CC(C)N1CC[C@@H](Nc2cc(Br)ccc2[*:1])C1=O
CC(=O)Nc1ccc(Br)cc1N[C@@H]1CCN(C(C)C)C1=O CC(C)[*:1] CC(=O)Nc1ccc(Br)cc1N[C@@H]1CCN(C1=O)[*:1]
CCc1[nH+]ccn1CCN1CCN(Cc2ccccc2C)CC1 Cc1ccccc1[*:1] CCc1[nH+]ccn1CCN1CCN(CC1)C[*:1]
Cc1n[nH]c(SCC(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)n1 Cc1n[nH]c(n1)S[*:1] C[C@@H]1CCC[C@H](C1)OCc1cccc(c1)NC(=O)C[*:1]
Cc1n[nH]c(SCC(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)n1 Cc1n[nH]c(n1)[*:1] C[C@@H]1CCC[C@H](C1)OCc1cccc(c1)NC(=O)CS[*:1]
Cc1n[nH]c(SCC(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)n1 Cc1n[nH]c(n1)SC[*:1] C[C@@H]1CCC[C@H](C1)OCc1cccc(c1)NC(=O)[*:1]
CNS(=O)(=O)c1ccc(C)c(C(=O)NCCCn2cccn2)c1 c1cnn(c1)[*:1] CNS(=O)(=O)c1ccc(C)c(c1)C(=O)NCCC[*:1]
CNS(=O)(=O)c1ccc(C)c(C(=O)NCCCn2cccn2)c1 c1cnn(c1)CC[*:1] CNS(=O)(=O)c1ccc(C)c(c1)C(=O)NC[*:1]
CNS(=O)(=O)c1ccc(C)c(C(=O)NCCCn2cccn2)c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)NCCCn1cccn1)[*:1]
CNS(=O)(=O)c1ccc(C)c(C(=O)NCCCn2cccn2)c1 c1cnn(c1)C[*:1] CNS(=O)(=O)c1ccc(C)c(c1)C(=O)NCC[*:1]
COc1cccc(C(=O)Nc2ccc3nc(C)oc3c2)c1OC(F)F FC(F)[*:1] COc1cccc(C(=O)Nc2ccc3nc(C)oc3c2)c1O[*:1]
COc1cccc(C(=O)Nc2ccc3nc(C)oc3c2)c1OC(F)F FC(F)O[*:1] COc1cccc(C(=O)Nc2ccc3nc(C)oc3c2)c1[*:1]
Cc1ccc(N(C)C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)-c1noc(CCC(=O)N(C)[*:1])n1
Cc1ccc(N(C)C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 CC(C)c1ccc(cc1)[*:1] Cc1ccc(cc1)N(C)C(=O)CCc1nc(no1)[*:1]
Cc1ccc(N(C)C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 CC(C)[*:1] Cc1ccc(cc1)N(C)C(=O)CCc1nc(no1)-c1ccc(cc1)[*:1]
COc1ccccc1[C@H](C#N)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] COc1ccccc1[C@H](C#N)NC(=O)c1c(C)cc(C)c(c1C)[*:1]
COc1ccccc1[C@H](C#N)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C COc1ccccc1[*:1] Cc1cc(C)c(c(C)c1C(=O)N[C@@H](C#N)[*:1])[N+](=O)[O-]
CC[C@H](C(=O)Nc1cccc(NC(C)=O)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O Cc1ccc(cc1C)[*:1] CC[C@H](C(=O)Nc1cccc(c1)NC(C)=O)N(S(C)(=O)=O)[*:1]
CC[C@H](C(=O)Nc1cccc(NC(C)=O)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O CC(=O)N[*:1] CC[C@H](C(=O)Nc1cccc(c1)[*:1])N(c1ccc(C)c(C)c1)S(C)(=O)=O
O=C(c1nn(Cc2ccncc2)c2c1CN(C(=O)[C@@H](c1ccccc1)C1CCCC1)CC2)N1CCCC1 c1cc(ccn1)[*:1] O=C(c1nn(C[*:1])c2CCN(Cc12)C(=O)[C@@H](c1ccccc1)C1CCCC1)N1CCCC1
O=C(c1nn(Cc2ccncc2)c2c1CN(C(=O)[C@@H](c1ccccc1)C1CCCC1)CC2)N1CCCC1 c1ccc(cc1)[*:1] O=C(c1nn(Cc2ccncc2)c2CCN(Cc12)C(=O)[C@@H](C1CCCC1)[*:1])N1CCCC1
O=C(c1nn(Cc2ccncc2)c2c1CN(C(=O)[C@@H](c1ccccc1)C1CCCC1)CC2)N1CCCC1 C1CCC(C1)[*:1] O=C(c1nn(Cc2ccncc2)c2CCN(Cc12)C(=O)[C@@H](c1ccccc1)[*:1])N1CCCC1
O=C(c1nn(Cc2ccncc2)c2c1CN(C(=O)[C@@H](c1ccccc1)C1CCCC1)CC2)N1CCCC1 O=C(N1CCCC1)[*:1] O=C([C@@H](c1ccccc1)C1CCCC1)N1CCc2c(C1)c(nn2Cc1ccncc1)[*:1]
O=C(c1nn(Cc2ccncc2)c2c1CN(C(=O)[C@@H](c1ccccc1)C1CCCC1)CC2)N1CCCC1 c1cc(ccn1)C[*:1] O=C(c1nn(c2CCN(Cc12)C(=O)[C@@H](c1ccccc1)C1CCCC1)[*:1])N1CCCC1
CCCn1cc(CNC(=O)C(=O)Nc2c[nH]ccc2=O)c(C)n1 CCC[*:1] Cc1nn(cc1CNC(=O)C(=O)Nc1c[nH]ccc1=O)[*:1]
CCCn1cc(CNC(=O)C(=O)Nc2c[nH]ccc2=O)c(C)n1 O=c1cc[nH]cc1[*:1] CCCn1cc(CNC(=O)C(=O)N[*:1])c(C)n1
O=C1CCCN1C[C@H]([NH2+]CC1CC1)c1ccccc1 C1CC1C[*:1] O=C1CCCN1C[C@H]([NH2+][*:1])c1ccccc1
O=C1CCCN1C[C@H]([NH2+]CC1CC1)c1ccccc1 C1CC1[*:1] O=C1CCCN1C[C@H]([NH2+]C[*:1])c1ccccc1
O=C1CCCN1C[C@H]([NH2+]CC1CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCN1C[C@H]([NH2+]CC1CC1)[*:1]
O=C1CCCN1C[C@H]([NH2+]CC1CC1)c1ccccc1 O=C1CCCN1[*:1] c1ccc(cc1)[C@H](C[*:1])[NH2+]CC1CC1
O=[N+]([O-])c1cnn(C[C@H](CS)c2ccccc2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cnn(c1)C[C@H](CS)[*:1]
O=[N+]([O-])c1cnn(C[C@H](CS)c2ccccc2)c1 O=[N+]([O-])[*:1] SC[C@@H](Cn1cc(cn1)[*:1])c1ccccc1
CCC[NH2+][C@@]1(c2nccs2)CS[C@@H](C)C1 c1csc(n1)[*:1] CCC[NH2+][C@]1(CS[C@@H](C)C1)[*:1]
CCC[NH2+][C@@]1(c2nccs2)CS[C@@H](C)C1 CCC[*:1] C[C@H]1C[C@](CS1)([NH2+][*:1])c1nccs1
CCn1cnnc1CNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 CCn1cnnc1[*:1] O=C(NC[*:1])[C@H]1C[C@H]1c1ccc(Br)cc1
CCn1cnnc1CNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCn1cnnc1CNC(=O)[C@H]1C[C@@H]1[*:1]
C[C@H](Oc1ccccc1)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NCc1ccc(cc1)C(=O)N1CC[NH+](C)CC1
C[C@H](Oc1ccccc1)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 c1ccc(cc1)O[*:1] C[C@H](C(=O)NCc1ccc(cc1)C(=O)N1CC[NH+](C)CC1)[*:1]
C[C@H](Oc1ccccc1)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 C[C@H](Oc1ccccc1)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(cc1)CNC(=O)[*:1]
CSC(C)(C)CNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CSC(C)(C)C[*:1] O=C(N[C@@H]1CCN(C1=O)c1c(F)cccc1F)N[*:1]
CSC(C)(C)CNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CSC(C)(C)[*:1] O=C(NC[*:1])N[C@@H]1CCN(C1=O)c1c(F)cccc1F
CSC(C)(C)CNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] CSC(C)(C)CNC(=O)N[C@@H]1CCN(C1=O)[*:1]
COC(=O)c1cccc(-c2cc(O)cc(C(F)(F)F)c2)c1 COC(=O)[*:1] Oc1cc(cc(c1)C(F)(F)F)-c1cccc(c1)[*:1]
COC(=O)c1cccc(-c2cc(O)cc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] COC(=O)c1cccc(c1)-c1cc(O)cc(c1)[*:1]
CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C)N1CCc1ccccc1 c1ccc(cc1)CC[*:1] CC1=CC(C=C(C)N1[*:1])=C1C(=O)NC(=S)NC1=O
CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C)N1CCc1ccccc1 c1ccc(cc1)[*:1] CC1=CC(C=C(C)N1CC[*:1])=C1C(=O)NC(=S)NC1=O
CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C)N1CCc1ccccc1 c1ccc(cc1)C[*:1] CC1=CC(C=C(C)N1C[*:1])=C1C(=O)NC(=S)NC1=O
NC(=O)CNC(=O)c1cccc(Oc2nc(C3CC3)ns2)c1 C1CC1[*:1] NC(=O)CNC(=O)c1cccc(c1)Oc1nc(ns1)[*:1]
NC(=O)CNC(=O)c1cccc(Oc2nc(C3CC3)ns2)c1 NC(=O)CNC(=O)[*:1] c1cc(cc(c1)[*:1])Oc1nc(ns1)C1CC1
NC(=O)CNC(=O)c1cccc(Oc2nc(C3CC3)ns2)c1 NC(=O)[*:1] O=C(NC[*:1])c1cccc(c1)Oc1nc(ns1)C1CC1
NC(=O)CNC(=O)c1cccc(Oc2nc(C3CC3)ns2)c1 NC(=O)C[*:1] O=C(N[*:1])c1cccc(c1)Oc1nc(ns1)C1CC1
COC[C@H](C)OC(=O)c1cnc(SC)n1-c1ccc(F)cc1 COC[*:1] CSc1ncc(C(=O)O[C@@H](C)[*:1])n1-c1ccc(F)cc1
COC[C@H](C)OC(=O)c1cnc(SC)n1-c1ccc(F)cc1 COC[C@H](C)[*:1] CSc1ncc(C(=O)O[*:1])n1-c1ccc(F)cc1
COC[C@H](C)OC(=O)c1cnc(SC)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC[C@H](C)OC(=O)c1cnc(SC)n1[*:1]
C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)Nc1nnc(C2CC2)s1 CC(C)(C)[*:1] C[C@@H]1OC(C)(C)N(C(=O)O[*:1])[C@H]1CNC(=O)Nc1nnc(s1)C1CC1
C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)Nc1nnc(C2CC2)s1 C1CC1c1nnc(s1)[*:1] C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)N[*:1]
C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)Nc1nnc(C2CC2)s1 C1CC1[*:1] C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)Nc1nnc(s1)[*:1]
CN(CCOc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1 Fc1ccccc1O[*:1] CN(CC[*:1])C(=O)Cn1nnc(n1)-c1cccs1
CN(CCOc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1 c1csc(c1)[*:1] CN(CCOc1ccccc1F)C(=O)Cn1nnc(n1)[*:1]
CN(CCOc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1 Fc1ccccc1[*:1] CN(CCO[*:1])C(=O)Cn1nnc(n1)-c1cccs1
O=c1[nH]nc(CSc2nn(-c3ccccc3)c(=S)s2)[nH]1 O=c1[nH]nc([nH]1)[*:1] S=c1sc(nn1-c1ccccc1)SC[*:1]
O=c1[nH]nc(CSc2nn(-c3ccccc3)c(=S)s2)[nH]1 c1ccc(cc1)[*:1] O=c1[nH]nc(CSc2nn(c(=S)s2)[*:1])[nH]1
Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(-n3cncn3)cc2)n1 O=C([O-])[*:1] Cn1cc(c(n1)C(=O)Nc1ccc(cc1)-n1cncn1)[*:1]
Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(-n3cncn3)cc2)n1 c1ncn(n1)[*:1] Cn1cc(C(=O)[O-])c(n1)C(=O)Nc1ccc(cc1)[*:1]
Cc1csc([C@@H](C)NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)[*:1]
Cc1sc2nc([C@H](C)OC(=O)c3cccc(O)c3)[nH]c(=O)c2c1C Oc1cccc(c1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)OC(=O)[*:1]
O=[N+]([O-])C[C@@H](O)c1c(F)c(F)c(F)c(F)c1F O=[N+]([O-])[*:1] O[C@H](C[*:1])c1c(F)c(F)c(F)c(F)c1F
O=[N+]([O-])C[C@@H](O)c1c(F)c(F)c(F)c(F)c1F O=[N+]([O-])C[*:1] O[C@@H](c1c(F)c(F)c(F)c(F)c1F)[*:1]
CC[NH2+][C@H](CC(=O)Nc1cc(C)cc(C)c1)C(=O)[O-] O=C([O-])[*:1] CC[NH2+][C@H](CC(=O)Nc1cc(C)cc(C)c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)Cn1c(=O)c2ccc(nc2n(C)c1=O)C(F)(F)F)[*:1]
Cc1ccc([C@@H](C)NC(=O)Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)cc1C Cc1ccc(cc1C)[C@@H](C)[*:1] Cn1c(=O)n(CC(=O)N[*:1])c(=O)c2ccc(nc21)C(F)(F)F
Cc1ccc([C@@H](C)NC(=O)Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)[C@@H](C)NC(=O)Cn1c(=O)c2ccc(nc2n(C)c1=O)[*:1]
Cc1cc(C(=O)N2CCSC3(CCCCC3)C2)c(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C(=O)N2CCSC3(CCCCC3)C2)c(N)c(c1)[*:1]
NC(=O)[C@@H]1CCC[C@H]1NC(=O)CCCc1cc(Cl)sc1Cl Clc1cc(c(Cl)s1)[*:1] NC(=O)[C@@H]1CCC[C@H]1NC(=O)CCC[*:1]
NC(=O)[C@@H]1CCC[C@H]1NC(=O)CCCc1cc(Cl)sc1Cl NC(=O)[*:1] O=C(CCCc1cc(Cl)sc1Cl)N[C@@H]1CCC[C@H]1[*:1]
Cc1cccc(NC2CCN(C(=O)[C@@H]3CSC(=O)N3)CC2)[nH+]1 O=C1N[C@@H](CS1)[*:1] Cc1cccc(NC2CCN(CC2)C(=O)[*:1])[nH+]1
C#CCN(CC(F)(F)F)C(=O)[C@@H](C)c1ccc2c(c1)OCCO2 FC(F)(F)[*:1] C#CCN(C[*:1])C(=O)[C@@H](C)c1ccc2OCCOc2c1
C#CCN(CC(F)(F)F)C(=O)[C@@H](C)c1ccc2c(c1)OCCO2 FC(F)(F)C[*:1] C#CCN(C(=O)[C@@H](C)c1ccc2OCCOc2c1)[*:1]
C#CCN(CC(F)(F)F)C(=O)[C@@H](C)c1ccc2c(c1)OCCO2 C#CC[*:1] C[C@H](C(=O)N(CC(F)(F)F)[*:1])c1ccc2OCCOc2c1
N[C@H](c1cccc(C(F)(F)F)c1)c1[nH]cc[nH+]1 FC(F)(F)[*:1] N[C@H](c1cccc(c1)[*:1])c1[nH]cc[nH+]1
Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)[*:1])c(C)c2)c(C)c1
Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c(C)c1 O=C(N[*:1])c1ccccc1 Cc1ccc(C(=O)NC(=S)Nc2ccc(c(C)c2)[*:1])c(C)c1
Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cc(ccc1NC(=O)c1ccccc1)NC(=S)NC(=O)[*:1]
CC(C)N(CC#N)C(=O)c1cc(C(F)(F)F)ccc1F CC(C)[*:1] N#CCN(C(=O)c1cc(ccc1F)C(F)(F)F)[*:1]
CC(C)N(CC#N)C(=O)c1cc(C(F)(F)F)ccc1F N#CC[*:1] CC(C)N(C(=O)c1cc(ccc1F)C(F)(F)F)[*:1]
CC(C)N(CC#N)C(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CC(C)N(CC#N)C(=O)c1cc(ccc1F)[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H](C)C(C)(C)C C[C@H](C(C)(C)C)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H](C)C(C)(C)C CC(C)(C)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H](C)[*:1]
CC(C)N(C(=O)COc1ncc(Cl)cn1)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)N(C(=O)COc1ncc(Cl)cn1)[*:1]
CC(C)N(C(=O)COc1ncc(Cl)cn1)c1ccccc1Cl Clc1cnc(nc1)[*:1] CC(C)N(C(=O)CO[*:1])c1ccccc1Cl
CC(C)N(C(=O)COc1ncc(Cl)cn1)c1ccccc1Cl CC(C)[*:1] O=C(COc1ncc(Cl)cn1)N(c1ccccc1Cl)[*:1]
CCOC(=O)C[C@@]1([NH2+]C)CCc2ccc(OC)cc21 CCOC(=O)C[*:1] C[NH2+][C@]1(CCc2ccc(cc21)OC)[*:1]
CCOC(=O)C[C@@]1([NH2+]C)CCc2ccc(OC)cc21 CCOC(=O)[*:1] C[NH2+][C@@]1(CCc2ccc(cc21)OC)C[*:1]
Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C(C)(C)C)no2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)-n1nnnc1SCC(=O)Nc1cc(no1)[*:1]
Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C(C)(C)C)no2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)c1cc(NC(=O)CSc2nnnn2[*:1])on1
CC[C@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)N1CCO[C@H](C1)c1ccccc1)c1cccc(c1)[*:1]
CC[C@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)N1CCO[C@@H](C1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC[C@H](NC(=O)N1CCO[C@H](C1)c1ccccc1)[*:1]
CC(C)n1ncnc1CSc1cc(N)ccc1Cl CC(C)[*:1] Nc1ccc(Cl)c(c1)SCc1ncnn1[*:1]
Fc1ccc(C2=NN=C[C@H]2[C@@H]2N=C3C=NN(Cc4ccncc4)[C@@H]3N2)cc1 Fc1ccc(cc1)[*:1] C1=NN=C([C@@H]1[C@@H]1N=C2C=NN(Cc3ccncc3)[C@@H]2N1)[*:1]
Fc1ccc(C2=NN=C[C@H]2[C@@H]2N=C3C=NN(Cc4ccncc4)[C@@H]3N2)cc1 c1cc(ccn1)C[*:1] Fc1ccc(cc1)C1=NN=C[C@H]1[C@@H]1N=C2C=NN([C@@H]2N1)[*:1]
Fc1ccc(C2=NN=C[C@H]2[C@@H]2N=C3C=NN(Cc4ccncc4)[C@@H]3N2)cc1 c1cc(ccn1)[*:1] Fc1ccc(cc1)C1=NN=C[C@H]1[C@@H]1N=C2C=NN(C[*:1])[C@@H]2N1
[NH3+]CC1([C@@H](O)c2ccc(C(F)(F)F)cc2)CCCCCC1 FC(F)(F)[*:1] [NH3+]CC1(CCCCCC1)[C@@H](O)c1ccc(cc1)[*:1]
COc1ccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cccc(c1)CC[NH+]1CCCC1
Cc1c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)nnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)NC[C@H](C1CCCCC1)[NH+](C)C
Cc1c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)nnn1-c1ccc(F)cc1 C1CCC(CC1)[*:1] Cc1c(nnn1-c1ccc(F)cc1)C(=O)NC[C@H]([NH+](C)C)[*:1]
CCNC(=O)c1ccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)[*:1] CCNC(=O)c1ccc(cc1)NC(=O)CNC(=O)[*:1]
CCNC(=O)c1ccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)cc1 CCNC(=O)[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCCc4ccccc43)n2)n1 Cc1cc(C)n(n1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N1CCCc2ccccc21
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccncc3)sc2c1 c1cc(ccn1)[*:1] Cc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2ccc3OCCOc3c2)[C@@H]1[*:1]
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccncc3)sc2c1 c1cc2OCCOc2cc1[*:1] Cc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccncc1
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccncc3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccncc1)[*:1])c1ccc2OCCOc2c1
O=S1(=O)c2cccc3cccc(c23)N1CCOCCOc1ccccc1 c1ccc(cc1)OC[*:1] O=S1(=O)c2cccc3cccc(c23)N1CCOC[*:1]
O=S1(=O)c2cccc3cccc(c23)N1CCOCCOc1ccccc1 c1ccc(cc1)O[*:1] O=S1(=O)c2cccc3cccc(c23)N1CCOCC[*:1]
O=S1(=O)c2cccc3cccc(c23)N1CCOCCOc1ccccc1 c1ccc(cc1)[*:1] O=S1(=O)c2cccc3cccc(c23)N1CCOCCO[*:1]
Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1csc2ccccc12 Fc1ccc(cc1)[*:1] Cc1onc(c1C(=O)NCc1csc2ccccc12)[*:1]
Cc1cc(OC[C@@H]2CN(C(=O)Cc3c(F)ccc(C)c3F)CCO2)ccc1Cl Cc1cc(ccc1Cl)[*:1] Cc1ccc(F)c(CC(=O)N2CCO[C@H](CO[*:1])C2)c1F
Cc1cc(OC[C@@H]2CN(C(=O)Cc3c(F)ccc(C)c3F)CCO2)ccc1Cl Cc1ccc(F)c(c1F)[*:1] Cc1cc(ccc1Cl)OC[C@@H]1CN(CCO1)C(=O)C[*:1]
Cc1cc(OC[C@@H]2CN(C(=O)Cc3c(F)ccc(C)c3F)CCO2)ccc1Cl Cc1cc(ccc1Cl)O[*:1] Cc1ccc(F)c(CC(=O)N2CCO[C@@H](C2)C[*:1])c1F
CNC(=O)c1cccc(C(=O)NCc2ccc(F)cc2CSC)c1 CNC(=O)[*:1] CSCc1cc(F)ccc1CNC(=O)c1cccc(c1)[*:1]
CNC(=O)c1cccc(C(=O)NCc2ccc(F)cc2CSC)c1 CSC[*:1] CNC(=O)c1cccc(c1)C(=O)NCc1ccc(F)cc1[*:1]
Cc1ccoc1C(=O)NC1CC[NH+](CC(N)=O)CC1 NC(=O)[*:1] Cc1ccoc1C(=O)NC1CC[NH+](CC1)C[*:1]
Cc1ccoc1C(=O)NC1CC[NH+](CC(N)=O)CC1 NC(=O)C[*:1] Cc1ccoc1C(=O)NC1CC[NH+](CC1)[*:1]
Cc1ccoc1C(=O)NC1CC[NH+](CC(N)=O)CC1 Cc1ccoc1[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)[*:1]
O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 Clc1ccccc1[*:1] O=C(c1cc(on1)-c1ccccc1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(c1cc(on1)[*:1])N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1
O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 Clc1ccccc1C[*:1] O=C(c1cc(on1)-c1ccccc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
COCCN(C)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 COCCN(C)C(=O)[*:1] c1ccn2cc(CSc3ccc(cc3)[*:1])nc2c1
COCCN(C)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 COC[*:1] CN(C[*:1])C(=O)c1ccc(cc1)SCc1cn2ccccc2n1
COCCN(C)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 COCC[*:1] CN(C(=O)c1ccc(cc1)SCc1cn2ccccc2n1)[*:1]
N#CCCCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 N#CCC[*:1] FC(F)(F)c1ccc(nc1)O[C@H]1CCN(C1)C[*:1]
N#CCCCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] N#CCCCN1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
N#CCCCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 N#CC[*:1] FC(F)(F)c1ccc(nc1)O[C@H]1CCN(CC[*:1])C1
N#CCCCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 N#CCCC[*:1] FC(F)(F)c1ccc(nc1)O[C@H]1CCN(C1)[*:1]
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2[*:1]
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C[*:1]
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1 COc1ccccc1[*:1] CC1(C)CN(CC(=O)N2CCCC2)c2ccc(cc21)S(=O)(=O)N[*:1]
C[C@H]1CN(C(=O)c2cccnc2SC(F)F)C[C@H](C)S1 FC(F)S[*:1] C[C@H]1CN(C[C@H](C)S1)C(=O)c1cccnc1[*:1]
C[C@H]1CN(C(=O)c2cccnc2SC(F)F)C[C@H](C)S1 FC(F)[*:1] C[C@H]1CN(C[C@H](C)S1)C(=O)c1cccnc1S[*:1]
CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)c2c(C(C)C)noc2C)C1 Cc1onc(c1[*:1])C(C)C CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C1)C(=O)[*:1]
CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)c2c(C(C)C)noc2C)C1 CC(C)[*:1] CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C1)C(=O)c1c(noc1C)[*:1]
CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)c2c(C(C)C)noc2C)C1 c1csc(n1)[*:1] CC(=O)N[C@@H]([C@H]1CCCN(C1)C(=O)c1c(noc1C)C(C)C)[*:1]
CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)c2c(C(C)C)noc2C)C1 CC(=O)N[*:1] Cc1onc(c1C(=O)N1CCC[C@@H](C1)[C@H](c1nccs1)[*:1])C(C)C
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1C COc1ccc(cc1C)C(=O)[*:1] O=C1C(O)=C([C@H](c2ccc(Cl)cc2)N1CC[NH+]1CCOCC1)[*:1]
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1C COc1ccc(cc1C)[*:1] O=C1C(O)=C(C(=O)[*:1])[C@H](c2ccc(Cl)cc2)N1CC[NH+]1CCOCC1
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1C Clc1ccc(cc1)[*:1] COc1ccc(cc1C)C(=O)C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@@H]1[*:1]
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NS(=O)(=O)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1 O=[N+]([O-])[*:1] Cc1ccc(cc1NS(=O)(=O)c1ccccc1)[*:1]
Cc1cc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1 Clc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)NC1CC[NH+](CC1)C[*:1]
Cc1cc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1 Clc1ccc(cc1)C[*:1] Cc1cc(no1)NC(=O)NC1CC[NH+](CC1)[*:1]
Cc1cc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1 Cc1cc(no1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(Cl)cc1)N[*:1]
COC(=O)c1c[n+]([C@@H](C)c2ccc(Cl)cc2)cc2c(O)n(-c3cccc(C)c3)nc12 COC(=O)[*:1] Cc1cccc(c1)-n1nc2c(c[n+](cc2c1O)[C@@H](C)c1ccc(Cl)cc1)[*:1]
COC(=O)c1c[n+]([C@@H](C)c2ccc(Cl)cc2)cc2c(O)n(-c3cccc(C)c3)nc12 Clc1ccc(cc1)[*:1] COC(=O)c1c[n+](cc2c(O)n(nc12)-c1cccc(C)c1)[C@@H](C)[*:1]
COC(=O)c1c[n+]([C@@H](C)c2ccc(Cl)cc2)cc2c(O)n(-c3cccc(C)c3)nc12 Cc1cccc(c1)[*:1] COC(=O)c1c[n+](cc2c(O)n(nc12)[*:1])[C@@H](C)c1ccc(Cl)cc1
O=C(C=C1CCSCC1)N[C@H]1CCN(C(=O)C2CCCC2)C1 C1CCC(C1)[*:1] O=C(C=C1CCSCC1)N[C@H]1CCN(C1)C(=O)[*:1]
O=C(CCc1csc2nc(-c3ccccc3)cn12)NCCc1ccc(F)cc1 Fc1ccc(cc1)CC[*:1] O=C(CCc1csc2nc(cn12)-c1ccccc1)N[*:1]
O=C(CCc1csc2nc(-c3ccccc3)cn12)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCc1csc2nc(cn12)-c1ccccc1)NCC[*:1]
O=C(CCc1csc2nc(-c3ccccc3)cn12)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CCc1csc2nc(cn12)-c1ccccc1)NC[*:1]
O=C(CCc1csc2nc(-c3ccccc3)cn12)NCCc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CCc1csc2nc(cn12)[*:1])NCCc1ccc(F)cc1
CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC CC[C@@H](C)[*:1] COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[*:1]
CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC CC[C@@H](C)NC(=O)[*:1] COc1ccc(Cl)cc1S(=O)(=O)N(C)C[*:1]
Cc1nc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)[nH]c1C CC(C)(C)[*:1] Cc1nc(C(=O)Nc2ccc(cc2)C(=O)O[*:1])c(=O)[nH]c1C
Cc1nc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)[nH]c1C CC(C)(C)OC(=O)[*:1] Cc1nc(C(=O)Nc2ccc(cc2)[*:1])c(=O)[nH]c1C
CC[C@@H](Sc1cc(C)ncn1)C(=O)Nc1nc2ccc(C)cc2s1 Cc1cc(ncn1)[*:1] CC[C@@H](S[*:1])C(=O)Nc1nc2ccc(C)cc2s1
CC[C@@H](Sc1cc(C)ncn1)C(=O)Nc1nc2ccc(C)cc2s1 Cc1cc(ncn1)S[*:1] CC[C@@H](C(=O)Nc1nc2ccc(C)cc2s1)[*:1]
Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCC[C@H]3C)CC2=O)c1 C[C@@H]1CCCCN1C(=O)C[*:1] Cc1ccc(C)c(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCC[C@H]3C)CC2=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H]1CCCCN1C(=O)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(Cl)cc1NC(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 C1CCC(C1)[*:1] COc1ccc(Cl)cc1NC(=O)NCc1nn(c(=O)c2ccccc12)[*:1]
COc1ccc(Cl)cc1NC(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 COc1ccc(Cl)cc1[*:1] O=C(NCc1nn(c(=O)c2ccccc12)C1CCCC1)N[*:1]
Cc1ocnc1CNC(=O)NCC1CCC(C)(C)CC1 Cc1ocnc1[*:1] CC1(C)CCC(CC1)CNC(=O)NC[*:1]
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)C2CCC2)C1 C1CC(C1)[*:1] COCCC[C@]1(CCCN(C1)C(=O)[*:1])C(=O)[O-]
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)C2CCC2)C1 COC[*:1] O=C(C1CCC1)N1CCC[C@](CC[*:1])(C1)C(=O)[O-]
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)C2CCC2)C1 COCC[*:1] O=C(C1CCC1)N1CCC[C@@](C1)(C[*:1])C(=O)[O-]
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)C2CCC2)C1 COCCC[*:1] O=C(C1CCC1)N1CCC[C@@](C1)(C(=O)[O-])[*:1]
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)C2CCC2)C1 O=C([O-])[*:1] COCCC[C@]1(CCCN(C1)C(=O)C1CCC1)[*:1]
C[C@@H]([NH2+][C@@H](CO)c1ccccc1F)c1cccs1 c1csc(c1)[*:1] C[C@@H]([NH2+][C@@H](CO)c1ccccc1F)[*:1]
CC[C@@H](C)C(=O)NCC(=O)NCc1ccc2c(c1)CCC2 CC[C@@H](C)C(=O)N[*:1] O=C(C[*:1])NCc1ccc2CCCc2c1
CC[C@@H](C)C(=O)NCC(=O)NCc1ccc2c(c1)CCC2 CC[C@@H](C)[*:1] O=C(CNC(=O)[*:1])NCc1ccc2CCCc2c1
C#CCn1/c(=N\C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)sc2cc3c(cc21)OCO3 COc1ccc(cc1)[*:1] C#CCn1/c(=N\C(=O)CCCS(=O)(=O)[*:1])sc2cc3OCOc3cc21
C#CCn1/c(=N\C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)sc2cc3c(cc21)OCO3 C#CC[*:1] COc1ccc(cc1)S(=O)(=O)CCCC(=O)/N=c1/sc2cc3OCOc3cc2n1[*:1]
CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@H]2CCCO2)CC1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCC1CCN(CC1)C(=O)[C@H]1CCCO1
CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@H]2CCCO2)CC1 c1ccc(cc1)C[*:1] CN(C(=O)CCC1CCN(CC1)C(=O)[C@H]1CCCO1)[*:1]
C[C@H](NS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1)C(=O)[O-] O=[N+]([O-])[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)-c1cc(-c2ccccc2)c2cc(ccc2n1)[*:1])C(=O)[O-]
C[C@H](NS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1)C(=O)[O-] c1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)-c1cc(c2cc(ccc2n1)[N+](=O)[O-])[*:1])C(=O)[O-]
C[C@H](NS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)-c1cc(-c2ccccc2)c2cc(ccc2n1)[N+](=O)[O-])[*:1]
CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1 Cc1ccc(cc1Cl)[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1 Cc1ccc(cc1Cl)NC(=O)[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1)SC[*:1]
CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)[*:1])SCC(=O)Nc1ccc(C)c(Cl)c1
CC(C)COC1CCN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)CC1 CC(C)[*:1] O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCC(CC1)OC[*:1]
CC(C)COC1CCN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)CC1 CC(C)C[*:1] O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCC(CC1)O[*:1]
CC(C)COC1CCN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)CC1 CC(C)CO[*:1] O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCC(CC1)[*:1]
N#Cc1c(-c2ccc(Cl)cc2Cl)nn(-c2ccc(S(N)(=O)=O)cn2)c1N NS(=O)(=O)[*:1] N#Cc1c(nn(-c2ccc(cn2)[*:1])c1N)-c1ccc(Cl)cc1Cl
N#Cc1c(-c2ccc(Cl)cc2Cl)nn(-c2ccc(S(N)(=O)=O)cn2)c1N Clc1ccc(c(Cl)c1)[*:1] N#Cc1c(nn(-c2ccc(cn2)S(N)(=O)=O)c1N)[*:1]
Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1ccc(=O)n(c1)Cc1ccc(Cl)cc1
Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)n1 Clc1ccc(cc1)[*:1] Cc1cccc(n1)NC(=O)c1ccc(=O)n(c1)C[*:1]
Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)n1 Clc1ccc(cc1)C[*:1] Cc1cccc(n1)NC(=O)c1ccc(=O)n(c1)[*:1]
O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CC(=O)N(C1)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NC[C@H]1CC(=O)N(C1)c1ccccc1)Nc1cccc(c1)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])N1CCO[C@@H](C1)c1cccc(F)c1
CC(C)CC(=O)Nc1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1 CC(C)CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCO[C@@H](C1)c1cccc(F)c1
CC(C)CC(=O)Nc1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1 Fc1cccc(c1)[*:1] CC(C)CC(=O)Nc1ccc(cc1)NC(=O)N1CCO[C@H](C1)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1 CC(C)[*:1] O=C(C[*:1])Nc1ccc(cc1)NC(=O)N1CCO[C@@H](C1)c1cccc(F)c1
COC(=O)c1cncc(O[C@H]2CCC[C@@H](OC)C2)n1 COC(=O)[*:1] CO[C@@H]1CCC[C@@H](C1)Oc1cncc(n1)[*:1]
C[C@@H](O)CN(C)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 C[C@@H](O)[*:1] C[C@H](CNC(=O)N(C)C[*:1])Oc1ccc(Cl)cc1
C[C@@H](O)CN(C)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 C[C@@H](O)C[*:1] C[C@H](CNC(=O)N(C)[*:1])Oc1ccc(Cl)cc1
CN(C)c1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] CN(C)c1ccccc1NC(=O)c1ccc(cc1)C[*:1]
CN(C)c1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1C[*:1] CN(C)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CN(C)c1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 CN(C)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)CN1C(=O)CCC1=O
COc1ccc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)C[NH+]1CCC(CC1)C(=O)N(C)[*:1]
COc1ccc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)cc1OC CC(C)N(C)C(=O)[*:1] COc1ccc(cc1OC)C[NH+]1CCC(CC1)[*:1]
Cn1c(SCc2cccnc2)nc2scc(-c3cccs3)c2c1=O c1cncc(c1)C[*:1] Cn1c(nc2scc(-c3cccs3)c2c1=O)S[*:1]
Cn1c(SCc2cccnc2)nc2scc(-c3cccs3)c2c1=O c1csc(c1)[*:1] Cn1c(nc2scc(c2c1=O)[*:1])SCc1cccnc1
Cn1c(SCc2cccnc2)nc2scc(-c3cccs3)c2c1=O c1cncc(c1)[*:1] Cn1c(nc2scc(-c3cccs3)c2c1=O)SC[*:1]
Cn1c(SCc2cccnc2)nc2scc(-c3cccs3)c2c1=O c1cncc(c1)CS[*:1] Cn1c(nc2scc(-c3cccs3)c2c1=O)[*:1]
Cc1ccc(Cl)c(NC(=O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)c1Cl O=C(N1CCCC1)[*:1] Cc1ccc(Cl)c(NC(=O)C[NH+]2CCN(CC2)C[*:1])c1Cl
Cc1ccc(Cl)c(NC(=O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)c1Cl O=C(C[*:1])N1CCCC1 Cc1ccc(Cl)c(NC(=O)C[NH+]2CCN(CC2)[*:1])c1Cl
Cc1ccc(Cl)c(NC(=O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)c1Cl Cc1ccc(Cl)c(c1Cl)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N1CCCC1)N[*:1]
OCC[NH2+]Cc1cccc(F)c1 OCC[*:1] Fc1cccc(c1)C[NH2+][*:1]
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 O=C(N[*:1])c1ccco1 CC(C)[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)[*:1]
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 CC(C)[*:1] O=C(N[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)[*:1])c1ccco1
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 c1coc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NNC(=O)[C@@H]1COc2ccccc2O1
C[C@H]1C[C@H]1C(=O)N1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 C[C@H]1C[C@@H]1[*:1] C[C@H]1C[C@H]1c1ccc(CN2CCN(CC2)C(=O)[*:1])o1
C[C@H]1C[C@H]1C(=O)N1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 C[C@H]1C[C@H]1[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)Cc1ccc(o1)[*:1]
CC[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)C(C)C CC(C)[*:1] CC[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)[*:1]
CCSc1nnc2c(n1)O[C@H](c1ccccc1C(F)(F)F)N(C(C)=O)c1ccccc1-2 CCS[*:1] CC(=O)N1c2ccccc2-c2nnc(nc2O[C@@H]1c1ccccc1C(F)(F)F)[*:1]
CCSc1nnc2c(n1)O[C@H](c1ccccc1C(F)(F)F)N(C(C)=O)c1ccccc1-2 FC(F)(F)[*:1] CCSc1nnc2-c3ccccc3N(C(C)=O)[C@H](Oc2n1)c1ccccc1[*:1]
CCSc1nnc2c(n1)O[C@H](c1ccccc1C(F)(F)F)N(C(C)=O)c1ccccc1-2 FC(F)(F)c1ccccc1[*:1] CCSc1nnc2-c3ccccc3N(C(C)=O)[C@@H](Oc2n1)[*:1]
Cn1c([C@@H]2CCCN(C(=O)CCSc3ccccn3)C2)n[nH]c1=S c1ccc(nc1)S[*:1] Cn1c(n[nH]c1=S)[C@@H]1CCCN(C1)C(=O)CC[*:1]
Cn1c([C@@H]2CCCN(C(=O)CCSc3ccccn3)C2)n[nH]c1=S c1ccc(nc1)[*:1] Cn1c(n[nH]c1=S)[C@@H]1CCCN(C1)C(=O)CCS[*:1]
Cn1c([C@@H]2CCCN(C(=O)CCSc3ccccn3)C2)n[nH]c1=S c1ccc(nc1)SC[*:1] Cn1c(n[nH]c1=S)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cn1c([C@@H]2CCCN(C(=O)CCSc3ccccn3)C2)n[nH]c1=S Cn1c(n[nH]c1=S)[*:1] O=C(CCSc1ccccn1)N1CCC[C@H](C1)[*:1]
NN1C(SCC(=O)Nc2ccc(F)cc2)=NN[C@H]1[C@@H]1N=NC2=C1CCC2 Fc1ccc(cc1)[*:1] NN1C(=NN[C@H]1[C@@H]1N=NC2CCCC=21)SCC(=O)N[*:1]
CC[C@@](C)(CC(=O)OC)[NH2+]Cc1nnc(C)n1C COC(=O)[*:1] CC[C@@](C)(C[*:1])[NH2+]Cc1nnc(C)n1C
CC[C@@](C)(CC(=O)OC)[NH2+]Cc1nnc(C)n1C COC(=O)C[*:1] CC[C@@](C)([NH2+]Cc1nnc(C)n1C)[*:1]
N#C/C(=C/c1cc(F)ccc1F)c1nc([O-])c2ccc(Cl)cc2n1 Fc1ccc(F)c(c1)[*:1] N#CC(=C[*:1])c1nc([O-])c2ccc(Cl)cc2n1
CC(C)c1c([O-])[nH]c(-c2ccc(Cl)cn2)nc1=O CC(C)[*:1] O=c1nc([nH]c([O-])c1[*:1])-c1ccc(Cl)cn1
C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)[*:1]
C=C1C=C(C)[C@@H](CNC(=O)Cc2ccc(Br)cc2)C(=O)N1 Brc1ccc(cc1)[*:1] C=C1C=C(C)[C@@H](CNC(=O)C[*:1])C(=O)N1
CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2[*:1]
CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 CCO[*:1] Cc1nn(-c2nc3ccccc3s2)c2NC(=O)C[C@@H](c3ccccc3[*:1])c12
CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 CCOc1ccccc1[*:1] Cc1nn(-c2nc3ccccc3s2)c2NC(=O)C[C@H](c12)[*:1]
CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)c(C#N)c1C CCOC(=O)[*:1] Cc1c(sc(NC(=O)Nc2ccc(Cl)cc2)c1C#N)[*:1]
CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)c(C#N)c1C Clc1ccc(cc1)[*:1] CCOC(=O)c1sc(NC(=O)N[*:1])c(C#N)c1C
COC(=O)c1ccccc1N(C)C(=O)N1CCC[C@@H](C)C1 COC(=O)[*:1] C[C@@H]1CCCN(C1)C(=O)N(C)c1ccccc1[*:1]
CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OC)c(F)c3)ccc21 COc1ccc(cc1F)[*:1] CCCCN1C(=O)CCc2cc(ccc21)NS(=O)(=O)[*:1]
CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OC)c(F)c3)ccc21 CCC[*:1] COc1ccc(cc1F)S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2C[*:1]
CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(OC)c(F)c3)ccc21 CCCC[*:1] COc1ccc(cc1F)S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CC[C@@H](C)c1ccccc1NC(=S)Nc1ccc(Br)cc1 CC[C@@H](C)[*:1] S=C(Nc1ccc(Br)cc1)Nc1ccccc1[*:1]
CC[C@@H](C)c1ccccc1NC(=S)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@@H](C)c1ccccc1NC(=S)N[*:1]
Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C(C)C)C1CCC1 C1CC(C1)[*:1] Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C(C)C)[*:1]
Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C(C)C)C1CCC1 CC(C)[*:1] Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C1CCC1)[*:1]
N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] N#C[C@@H](c1ccccc1)N1CCN(CC1)C[*:1]
N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(F)cc2F)CC1 c1ccc(cc1)[*:1] N#C[C@@H](N1CCN(CC1)Cc1ccc(F)cc1F)[*:1]
COCC[NH2+]CC(=O)N[C@H]1CCC[C@H]1n1cc[nH+]c1 COCC[*:1] O=C(C[NH2+][*:1])N[C@H]1CCC[C@H]1n1cc[nH+]c1
COCC[NH2+]CC(=O)N[C@H]1CCC[C@H]1n1cc[nH+]c1 COC[*:1] O=C(C[NH2+]C[*:1])N[C@H]1CCC[C@H]1n1cc[nH+]c1
COCC[NH2+]CC(=O)N[C@H]1CCC[C@H]1n1cc[nH+]c1 COCC[NH2+]C[*:1] O=C(N[C@H]1CCC[C@H]1n1cc[nH+]c1)[*:1]
CCCC[C@@H](C)Nc1ncnc(OCC)c1N CCC[*:1] CCOc1ncnc(N[C@H](C)C[*:1])c1N
CCCC[C@@H](C)Nc1ncnc(OCC)c1N CCO[*:1] CCCC[C@@H](C)Nc1ncnc(c1N)[*:1]
CCCC[C@@H](C)Nc1ncnc(OCC)c1N CCCC[*:1] CCOc1ncnc(N[C@H](C)[*:1])c1N
C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@H]1c1cccs1 O=C(c1ccco1)[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C([C@H]1c1cccs1)[*:1]
C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@H]1c1cccs1 c1coc(c1)[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccs1
C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@H]1c1cccs1 c1csc(c1)[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1[*:1]
CC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cccc(F)c2)cc1 CC(=O)[*:1] O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)COC(=O)C=C[*:1]
C=CC[NH2+][C@H](NC(=O)c1ccc(OC)cc1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] C=CC[NH2+][C@H](NC(=O)c1ccc(cc1)OC)[*:1]
CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]c1 c1cc(c[nH]1)[*:1] CO[C@@H]1CCCC[C@@H]1[NH2+]C[*:1]
Cc1c(C(=O)N2CCN(Cc3cccs3)CC2)cnn1C c1csc(c1)C[*:1] Cc1c(cnn1C)C(=O)N1CCN(CC1)[*:1]
Cc1c(C(=O)N2CCN(Cc3cccs3)CC2)cnn1C c1csc(c1)[*:1] Cc1c(cnn1C)C(=O)N1CCN(CC1)C[*:1]
Cc1c(C(=O)N2CCN(Cc3cccs3)CC2)cnn1C Cc1c(cnn1C)[*:1] O=C(N1CCN(CC1)Cc1cccs1)[*:1]
O=C1C[C@@H](c2ccco2)Cc2c1cnc1nc(N3CCOCC3)nc([O-])c21 c1coc(c1)[*:1] O=C1C[C@@H](Cc2c1cnc1nc(nc([O-])c21)N1CCOCC1)[*:1]
O=C1C[C@@H](c2ccco2)Cc2c1cnc1nc(N3CCOCC3)nc([O-])c21 C1CN(CCO1)[*:1] O=C1C[C@H](Cc2c1cnc1nc(nc([O-])c21)[*:1])c1ccco1
C=C(C)[C@](C)(C#CC[NH+](CC)CC)OCCC#N N#CC[*:1] C=C(C)[C@](C)(C#CC[NH+](CC)CC)OC[*:1]
C=C(C)[C@](C)(C#CC[NH+](CC)CC)OCCC#N C=C(C)[*:1] CC[NH+](CC)CC#C[C@@](C)(OCCC#N)[*:1]
C=C(C)[C@](C)(C#CC[NH+](CC)CC)OCCC#N N#CCCO[*:1] C=C(C)[C@](C)(C#CC[NH+](CC)CC)[*:1]
C=C(C)[C@](C)(C#CC[NH+](CC)CC)OCCC#N N#CCC[*:1] C=C(C)[C@](C)(C#CC[NH+](CC)CC)O[*:1]
COc1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(C)O3 COc1ccccc1[*:1] Cc1c(oc2ccc3OC(C)(C)CC(=O)c3c12)C(=O)N[*:1]
COc1cccc2cc(C(=O)OCc3cc(-c4ccccc4)on3)c(=O)oc12 c1ccc(cc1)[*:1] COc1cccc2cc(C(=O)OCc3cc(on3)[*:1])c(=O)oc12
NC(=O)c1cncc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 NC(=O)[*:1] O=[N+]([O-])c1ccc(nc1)N[C@@H]1CCN(C1)c1cncc(n1)[*:1]
NC(=O)c1cncc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 O=[N+]([O-])[*:1] NC(=O)c1cncc(n1)N1CC[C@H](C1)Nc1ccc(cn1)[*:1]
CCc1nn(C)cc1NC(=O)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] CCc1nn(C)cc1NC(=O)Nc1ccccc1[*:1]
COCC(=O)Nc1cccc(Cl)c1N1CCOCC1 COCC(=O)N[*:1] Clc1cccc(c1N1CCOCC1)[*:1]
COCC(=O)Nc1cccc(Cl)c1N1CCOCC1 COC[*:1] O=C(Nc1cccc(Cl)c1N1CCOCC1)[*:1]
COCC(=O)Nc1cccc(Cl)c1N1CCOCC1 C1CN(CCO1)[*:1] COCC(=O)Nc1cccc(Cl)c1[*:1]
O=C([O-])[C@@H](CO)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O O=C([O-])[*:1] O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1[C@H](CO)[*:1]
COc1ccc(C(C)=O)cc1CN1CCN(c2nccs2)CC1 c1csc(n1)[*:1] COc1ccc(cc1CN1CCN(CC1)[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CN1CCN(c2nccs2)CC1 CC(=O)[*:1] COc1ccc(cc1CN1CCN(CC1)c1nccs1)[*:1]
COCCN(CCC#N)Cc1cc(Cl)ccn1 N#CC[*:1] COCCN(Cc1cc(Cl)ccn1)C[*:1]
COCCN(CCC#N)Cc1cc(Cl)ccn1 COCC[*:1] N#CCCN(Cc1cc(Cl)ccn1)[*:1]
COCCN(CCC#N)Cc1cc(Cl)ccn1 COC[*:1] N#CCCN(Cc1cc(Cl)ccn1)C[*:1]
COCCN(CCC#N)Cc1cc(Cl)ccn1 N#CCC[*:1] COCCN(Cc1cc(Cl)ccn1)[*:1]
CC[NH+]1CCC(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 CC(C)(C)[*:1] CC[NH+]1CCC(CCNC(=O)C(=O)Nc2nn(cc2C#N)[*:1])CC1
CCC(=O)N(C)c1ccccc1C(=O)NCc1ccc(OC(C)C)c(F)c1 CC(C)O[*:1] CCC(=O)N(C)c1ccccc1C(=O)NCc1ccc(c(F)c1)[*:1]
CCC(=O)N(C)c1ccccc1C(=O)NCc1ccc(OC(C)C)c(F)c1 CC(C)[*:1] CCC(=O)N(C)c1ccccc1C(=O)NCc1ccc(O[*:1])c(F)c1
CCC(=O)N(C)c1ccccc1C(=O)NCc1ccc(OC(C)C)c(F)c1 CCC(=O)N(C)[*:1] CC(C)Oc1ccc(cc1F)CNC(=O)c1ccccc1[*:1]
CCOc1cccc(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1 CCOc1cccc(c1)[*:1] O=C(NC[C@H]1CCN(C1)c1ccc(F)c(F)c1)N[*:1]
CCOc1cccc(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1 CCO[*:1] O=C(NC[C@H]1CCN(C1)c1ccc(F)c(F)c1)Nc1cccc(c1)[*:1]
CCOc1cccc(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1 Fc1ccc(cc1F)[*:1] CCOc1cccc(c1)NC(=O)NC[C@H]1CCN(C1)[*:1]
C[C@H](NC(=O)c1cc[nH]n1)C(=O)NC(C)(C)C c1cc(n[nH]1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NC(C)(C)C
C[C@H](NC(=O)c1cc[nH]n1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)c1cc[nH]n1)C(=O)N[*:1]
C[C@H](NC(=O)N[C@](C)(CO)C1CCCCC1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)N[C@](C)(CO)C1CCCCC1)[*:1]
C[C@H](NC(=O)N[C@](C)(CO)C1CCCCC1)c1cnn(C)c1 C1CCC(CC1)[*:1] C[C@H](NC(=O)N[C@](C)(CO)[*:1])c1cnn(C)c1
Cc1ccc(-n2nc(C)cc2NC(=O)C2CC[NH+](C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)C2CC[NH+](C)CC2)n(n1)[*:1]
O=C(Oc1cccc2cccnc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(Oc1cccc2cccnc12)c1cccc(c1)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)c2c(C)nn(C)c2C)c1 CC(=O)N[*:1] Cc1nn(C)c(C)c1C(=O)Nc1cc(ccc1F)[*:1]
Cc1c(C[NH+](CCCO)Cc2ccccc2)cc(C#N)n1C c1ccc(cc1)C[*:1] Cc1c(cc(C#N)n1C)C[NH+](CCCO)[*:1]
Cc1c(C[NH+](CCCO)Cc2ccccc2)cc(C#N)n1C c1ccc(cc1)[*:1] Cc1c(cc(C#N)n1C)C[NH+](CCCO)C[*:1]
Cc1c(C[NH+](CCCO)Cc2ccccc2)cc(C#N)n1C OCCC[*:1] Cc1c(cc(C#N)n1C)C[NH+](Cc1ccccc1)[*:1]
Cc1c(C[NH+](CCCO)Cc2ccccc2)cc(C#N)n1C OCC[*:1] Cc1c(cc(C#N)n1C)C[NH+](Cc1ccccc1)C[*:1]
COc1ccc(C(=O)c2c(OC)cccc2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)C(=O)c1c(cccc1[*:1])OC
CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@@H]1c1ccccc1OC(C)C CC(C)O[*:1] CCC(=O)N1c2ccc(Cl)cc2-c2nnc(nc2O[C@@H]1c1ccccc1[*:1])SC
CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@@H]1c1ccccc1OC(C)C CC(C)Oc1ccccc1[*:1] CCC(=O)N1c2ccc(Cl)cc2-c2nnc(nc2O[C@H]1[*:1])SC
CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@@H]1c1ccccc1OC(C)C CC(C)[*:1] CCC(=O)N1c2ccc(Cl)cc2-c2nnc(nc2O[C@@H]1c1ccccc1O[*:1])SC
CN1C(=O)CO[C@H](C(=O)NC[C@H](O)C[NH+](C)C)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)CO[C@H](C(=O)NC[C@H](O)C[NH+](C)C)[C@H]1[*:1]
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NC[C@H](C)c1ccsc1 O=C(N1CCCC1)[*:1] Cc1cc(ccc1NC(=O)NC[C@H](C)c1ccsc1)[*:1]
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NC[C@H](C)c1ccsc1 c1cc(cs1)[*:1] Cc1cc(ccc1NC(=O)NC[C@H](C)[*:1])C(=O)N1CCCC1
CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]CC(C)C)C2 CC(C)C[*:1] CCn1nc(C(=O)N2CCN(C)CC2)c2C[C@H](CCc21)[NH2+][*:1]
CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]CC(C)C)C2 CC(C)[*:1] CCn1nc(C(=O)N2CCN(C)CC2)c2C[C@H](CCc21)[NH2+]C[*:1]
C[C@H]1CN(C(=O)c2ccc3c([O-])n(Cc4ccco4)c(=S)nc3c2)[C@H](C)CO1 c1coc(c1)[*:1] C[C@H]1CN(C(=O)c2ccc3c([O-])n(C[*:1])c(=S)nc3c2)[C@H](C)CO1
C[C@H]1CN(C(=O)c2ccc3c([O-])n(Cc4ccco4)c(=S)nc3c2)[C@H](C)CO1 c1coc(c1)C[*:1] C[C@H]1CN(C(=O)c2ccc3c([O-])n(c(=S)nc3c2)[*:1])[C@H](C)CO1
Cc1c(C(=O)N[C@H](C(N)=O)C(C)(C)C)cnn1-c1ccccc1Cl CC(C)(C)[*:1] Cc1c(cnn1-c1ccccc1Cl)C(=O)N[C@H](C(N)=O)[*:1]
Cc1c(C(=O)N[C@H](C(N)=O)C(C)(C)C)cnn1-c1ccccc1Cl Clc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H](C(N)=O)C(C)(C)C
Cc1c(C(=O)N[C@H](C(N)=O)C(C)(C)C)cnn1-c1ccccc1Cl NC(=O)[*:1] Cc1c(cnn1-c1ccccc1Cl)C(=O)N[C@H](C(C)(C)C)[*:1]
Cc1ccc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)cc1F c1cncc(c1)O[*:1] Cc1ccc(cc1F)C[NH2+]Cc1ccc(c(F)c1)[*:1]
Cc1ccc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)cc1F c1cncc(c1)[*:1] Cc1ccc(cc1F)C[NH2+]Cc1ccc(O[*:1])c(F)c1
Cc1ccc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)cc1F Cc1ccc(cc1F)[*:1] Fc1cc(ccc1Oc1cccnc1)C[NH2+]C[*:1]
CC(=O)N1CC[C@@H](NC(=O)c2scnc2C2CC2)C1 C1CC1[*:1] CC(=O)N1CC[C@H](C1)NC(=O)c1scnc1[*:1]
COC[C@](C)(NC(=O)Nc1cc(F)c(OC)cc1OC)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)Nc1cc(F)c(cc1OC)OC)[*:1]
COC[C@](C)(NC(=O)Nc1cc(F)c(OC)cc1OC)c1ccccc1 COC[*:1] COc1cc(OC)c(cc1F)NC(=O)N[C@@](C)(c1ccccc1)[*:1]
CC[C@@H](C(=O)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1 CC[C@@H](c1ccccc1)[*:1] O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)[*:1]
CC[C@@H](C(=O)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1 Fc1ccc(cc1)[*:1] CC[C@@H](C(=O)Nn1cnc2c(cnn2[*:1])c1=O)c1ccccc1
CC[C@@H](C(=O)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)[*:1]
C[C@@H](NC(=O)N1CCOC[C@@H]1C1CC1)C1CCC1 C[C@@H](C1CCC1)[*:1] O=C(N[*:1])N1CCOC[C@@H]1C1CC1
C[C@@H](NC(=O)N1CCOC[C@@H]1C1CC1)C1CCC1 C1CC1[*:1] C[C@@H](NC(=O)N1CCOC[C@H]1[*:1])C1CCC1
C[C@@H](NC(=O)N1CCOC[C@@H]1C1CC1)C1CCC1 C1CC(C1)[*:1] C[C@@H](NC(=O)N1CCOC[C@@H]1C1CC1)[*:1]
CC(=O)/C(=C\c1cccc(Br)c1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)/C(=C\c1cccc(Br)c1)C(=O)[*:1]
CC(=O)/C(=C\c1cccc(Br)c1)C(=O)c1ccccc1 CC(=O)[*:1] O=C(/C(=C/c1cccc(Br)c1)[*:1])c1ccccc1
COc1cccc(COc2ccc(F)cc2[C@H](C)O)c1 C[C@H](O)[*:1] COc1cccc(c1)COc1ccc(F)cc1[*:1]
CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1cc(C(C)(C)C)ccc1C CC[C@@H](C)[*:1] Cc1ccc(cc1S(=O)(=O)[C@@H](C)C(=O)N[*:1])C(C)(C)C
CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1cc(C(C)(C)C)ccc1C CC[C@@H](C)NC(=O)[*:1] Cc1ccc(cc1S(=O)(=O)[C@@H](C)[*:1])C(C)(C)C
CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1cc(C(C)(C)C)ccc1C CC(C)(C)[*:1] CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1cc(ccc1C)[*:1]
CN(Cc1ccoc1)[C@@]1(C[NH3+])CC(C)(C)OC1(C)C c1cc(co1)C[*:1] CN([C@@]1(C[NH3+])CC(C)(C)OC1(C)C)[*:1]
CN(Cc1ccoc1)[C@@]1(C[NH3+])CC(C)(C)OC1(C)C c1cc(co1)[*:1] CN(C[*:1])[C@@]1(C[NH3+])CC(C)(C)OC1(C)C
O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@@]1(C(=O)Nc3c(Cl)cccc31)N1CCC[C@H]21 Fc1ccc(cc1)[*:1] O=C1[C@H]2[C@H](C(=O)N1[*:1])[C@@]1(C(=O)Nc3c(Cl)cccc31)N1CCC[C@H]21
CCOc1ccc(NC(=O)c2cccc(-c3nnc(C)o3)c2)c(C)c1 CCO[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)Nc1ccc(cc1C)[*:1]
CCOc1ccc(NC(=O)c2cccc(-c3nnc(C)o3)c2)c(C)c1 Cc1nnc(o1)[*:1] CCOc1ccc(NC(=O)c2cccc(c2)[*:1])c(C)c1
Cc1cc(C(=O)NC2(CC(=O)[O-])CCC2)sc1C O=C([O-])C[*:1] Cc1cc(sc1C)C(=O)NC1(CCC1)[*:1]
Cc1cc(C(=O)NC2(CC(=O)[O-])CCC2)sc1C O=C([O-])[*:1] Cc1cc(sc1C)C(=O)NC1(CCC1)C[*:1]
CCOCCN(C)C(=O)C(=O)Nc1cccc(N2CCC(C)CC2)c1 CCOC[*:1] CC1CCN(CC1)c1cccc(c1)NC(=O)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)C(=O)Nc1cccc(N2CCC(C)CC2)c1 CC1CCN(CC1)[*:1] CCOCCN(C)C(=O)C(=O)Nc1cccc(c1)[*:1]
CCOCCN(C)C(=O)C(=O)Nc1cccc(N2CCC(C)CC2)c1 CCO[*:1] CC1CCN(CC1)c1cccc(c1)NC(=O)C(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)C(=O)Nc1cccc(N2CCC(C)CC2)c1 CCOCC[*:1] CC1CCN(CC1)c1cccc(c1)NC(=O)C(=O)N(C)[*:1]
N#Cc1ccc(-c2noc(CCn3c(=O)oc4ccccc43)n2)nc1 N#Cc1ccc(nc1)[*:1] O=c1oc2ccccc2n1CCc1nc(no1)[*:1]
O=C([O-])Cn1c(=O)n(Cc2cccnc2)c(=O)c2sccc21 c1cncc(c1)C[*:1] O=C([O-])Cn1c(=O)n(c(=O)c2sccc21)[*:1]
O=C([O-])Cn1c(=O)n(Cc2cccnc2)c(=O)c2sccc21 O=C([O-])[*:1] O=c1c2sccc2n(C[*:1])c(=O)n1Cc1cccnc1
O=C([O-])Cn1c(=O)n(Cc2cccnc2)c(=O)c2sccc21 O=C([O-])C[*:1] O=c1c2sccc2n(c(=O)n1Cc1cccnc1)[*:1]
O=C([O-])Cn1c(=O)n(Cc2cccnc2)c(=O)c2sccc21 c1cncc(c1)[*:1] O=C([O-])Cn1c(=O)n(C[*:1])c(=O)c2sccc21
CCCC[C@@H](C(=O)OC)[C@H](O)c1ccc(O)c(Cl)c1 COC(=O)[*:1] CCCC[C@@H]([C@H](O)c1ccc(O)c(Cl)c1)[*:1]
CCCC[C@@H](C(=O)OC)[C@H](O)c1ccc(O)c(Cl)c1 CCCC[*:1] COC(=O)[C@@H]([C@H](O)c1ccc(O)c(Cl)c1)[*:1]
CCCC[C@@H](C(=O)OC)[C@H](O)c1ccc(O)c(Cl)c1 CCC[*:1] COC(=O)[C@H](C[*:1])[C@H](O)c1ccc(O)c(Cl)c1
Cc1nc(CN2C(=O)C[C@@H](Cc3ccc(F)cc3)C2=O)sc1C Cc1nc(sc1C)[*:1] O=C1C[C@@H](Cc2ccc(F)cc2)C(=O)N1C[*:1]
Cc1nc(CN2C(=O)C[C@@H](Cc3ccc(F)cc3)C2=O)sc1C Fc1ccc(cc1)[*:1] Cc1nc(CN2C(=O)C[C@@H](C[*:1])C2=O)sc1C
O=[N+]([O-])c1ccc(NC[C@@H]2COc3ccccc3C2)cc1 O=[N+]([O-])[*:1] c1ccc2OC[C@@H](CNc3ccc(cc3)[*:1])Cc2c1
Cc1ncc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)s1 Cc1ncc(s1)[*:1] C[C@H]([NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1)[*:1]
Cc1ncc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ncc(s1)[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2C[*:1]
Cc1ncc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)s1 c1ccc(cc1)C[*:1] Cc1ncc(s1)[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2[*:1]
COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2Cl)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl)N[*:1]
COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2Cl)c(OC)c1 Clc1ccccc1[*:1] COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2[*:1])c(c1)OC
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCC(C)CC4)n(C)c3)CC2)nc1 Cc1ccc(nc1)NC(=O)[*:1] CC1CCN(CC1)C(=O)c1cc(cn1C)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCC(C)CC4)n(C)c3)CC2)nc1 CC1CCN(CC1)C(=O)[*:1] Cc1ccc(nc1)NC(=O)C1CCN(CC1)S(=O)(=O)c1cc(n(C)c1)[*:1]
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCC(C)CC4)n(C)c3)CC2)nc1 Cc1ccc(nc1)[*:1] CC1CCN(CC1)C(=O)c1cc(cn1C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCC[NH2+][C@H](C)c1cccn1Cc1cccc(OC)n1 CCC[*:1] COc1cccc(Cn2cccc2[C@@H](C)[NH2+][*:1])n1
CC(C)c1nc(-c2ccc(N3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)[nH+]c2)no1 CC(C)c1nc(no1)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)[*:1])C1(CCCC1)c1cccs1
CC(C)c1nc(-c2ccc(N3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)[nH+]c2)no1 CC(C)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1])C1(CCCC1)c1cccs1
CC(C)c1nc(-c2ccc(N3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)[nH+]c2)no1 c1csc(c1)[*:1] CC(C)c1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)C1(CCCC1)[*:1]
CC(C)c1nc(-c2ccc(N3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)[nH+]c2)no1 c1csc(c1)C1(CCCC1)[*:1] CC(C)c1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(=O)[O-])cc2)n2ncnc2N1 O=C([O-])[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)Nc1ccccc1)c1ccc(cc1)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(=O)[O-])cc2)n2ncnc2N1 O=C([O-])c1ccc(cc1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)Nc1ccccc1)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(=O)[O-])cc2)n2ncnc2N1 c1ccc(cc1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)N[*:1])c1ccc(cc1)C(=O)[O-]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(=O)[O-])cc2)n2ncnc2N1 O=C(Nc1ccccc1)[*:1] CC1Nc2ncnn2[C@@H](C=1[*:1])c1ccc(cc1)C(=O)[O-]
Cc1ccc(-c2n[nH]c(/N=C(\[O-])Cc3ccccc3[N+](=O)[O-])n2)s1 Cc1ccc(s1)[*:1] O=[N+]([O-])c1ccccc1C/C([O-])=N/c1nc(n[nH]1)[*:1]
Cc1ccc(-c2n[nH]c(/N=C(\[O-])Cc3ccccc3[N+](=O)[O-])n2)s1 O=[N+]([O-])[*:1] Cc1ccc(s1)-c1n[nH]c(/N=C(\[O-])Cc2ccccc2[*:1])n1
Cc1c(C(=O)N2CCC[C@H]2c2ccncc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC[C@H]1c1ccncc1
Cc1c(C(=O)N2CCC[C@H]2c2ccncc2)cnn1C(C)C c1cc(ccn1)[*:1] Cc1c(cnn1C(C)C)C(=O)N1CCC[C@@H]1[*:1]
C[NH+](CC(=O)Nc1ccc(CNC(N)=O)cc1)Cc1ccccc1 NC(=O)N[*:1] C[NH+](CC(=O)Nc1ccc(cc1)C[*:1])Cc1ccccc1
C[NH+](CC(=O)Nc1ccc(CNC(N)=O)cc1)Cc1ccccc1 NC(=O)NC[*:1] C[NH+](CC(=O)Nc1ccc(cc1)[*:1])Cc1ccccc1
C[NH+](CC(=O)Nc1ccc(CNC(N)=O)cc1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](CC(=O)Nc1ccc(cc1)CNC(N)=O)[*:1]
C[NH+](CC(=O)Nc1ccc(CNC(N)=O)cc1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1ccc(cc1)CNC(N)=O)C[*:1]
C[C@]12C(=O)N(c3cccc(C(=O)NCc4ccccc4)c3)C(=O)N1CCc1c2[nH]c2ccccc12 O=C(NCc1ccccc1)[*:1] C[C@]12C(=O)N(C(=O)N1CCc1c2[nH]c2ccccc12)c1cccc(c1)[*:1]
C[C@]12C(=O)N(c3cccc(C(=O)NCc4ccccc4)c3)C(=O)N1CCc1c2[nH]c2ccccc12 c1ccc(cc1)[*:1] C[C@]12C(=O)N(C(=O)N1CCc1c2[nH]c2ccccc12)c1cccc(c1)C(=O)NC[*:1]
C[C@]12C(=O)N(c3cccc(C(=O)NCc4ccccc4)c3)C(=O)N1CCc1c2[nH]c2ccccc12 c1ccc(cc1)C[*:1] C[C@]12C(=O)N(C(=O)N1CCc1c2[nH]c2ccccc12)c1cccc(c1)C(=O)N[*:1]
COc1cc2c(cc1OC)CN(C(=O)C1CCN(Cc3nc4ccccc4[nH]3)CC1)CC2 c1ccc2[nH]c(C[*:1])nc2c1 COc1cc2CCN(Cc2cc1OC)C(=O)C1CCN(CC1)[*:1]
COc1cc2c(cc1OC)CN(C(=O)C1CCN(Cc3nc4ccccc4[nH]3)CC1)CC2 c1ccc2[nH]c(nc2c1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)C1CCN(CC1)C[*:1]
Cc1ccc2c(c1)c(CNC(=O)Cn1ccnc1-c1ccccc1)nn2C c1ccc(cc1)[*:1] Cc1ccc2c(c1)c(CNC(=O)Cn1ccnc1[*:1])nn2C
COc1ccc(F)cc1COC(=O)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] COc1ccc(F)cc1COC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(F)cc1COC(=O)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 COc1ccc(F)cc1COC(=O)c1ccc(cc1)[*:1]
COCC[NH2+]Cc1cnn(C2CCCC2)c1C(F)F FC(F)[*:1] COCC[NH2+]Cc1cnn(c1[*:1])C1CCCC1
COCC[NH2+]Cc1cnn(C2CCCC2)c1C(F)F C1CCC(C1)[*:1] COCC[NH2+]Cc1cnn(c1C(F)F)[*:1]
COCC[NH2+]Cc1cnn(C2CCCC2)c1C(F)F COCC[*:1] FC(F)c1c(cnn1C1CCCC1)C[NH2+][*:1]
COCC[NH2+]Cc1cnn(C2CCCC2)c1C(F)F COC[*:1] FC(F)c1c(cnn1C1CCCC1)C[NH2+]C[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)COc1ccc(F)cc1Br O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)COc1ccc(F)cc1Br)[*:1]
C[C@H](N[C@@H]1CCN(c2ncccc2Cl)C1)c1nc2ccccc2n1C Clc1cccnc1[*:1] C[C@H](N[C@@H]1CCN(C1)[*:1])c1nc2ccccc2n1C
COc1cc(C[NH+](C)CCn2cnnc2)cc(Cl)c1OC c1nncn1[*:1] COc1cc(cc(Cl)c1OC)C[NH+](C)CC[*:1]
COc1cc(C[NH+](C)CCn2cnnc2)cc(Cl)c1OC c1nncn1C[*:1] COc1cc(cc(Cl)c1OC)C[NH+](C)C[*:1]
O[C@@H](c1ncn[nH]1)[C@H]1CCOC2(CCSCC2)C1 c1n[nH]c(n1)[*:1] O[C@@H]([C@H]1CCOC2(CCSCC2)C1)[*:1]
COc1cc(C)sc1C(=O)NCCc1ncnn1C Cn1ncnc1[*:1] COc1cc(C)sc1C(=O)NCC[*:1]
CCc1nn(C)cc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 CCc1nn(C)cc1[*:1] O=C(Nc1cc(Cl)ccc1N1CCOCC1)[*:1]
CCc1nn(C)cc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 C1CN(CCO1)[*:1] CCc1nn(C)cc1C(=O)Nc1cc(Cl)ccc1[*:1]
O=C(c1ccccc1)N(Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(N(Cc1ccc(o1)-c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(c1ccccc1)N(Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@@H]1CCS(=O)(=O)C1 Clc1ccc(cc1Cl)[*:1] O=C(c1ccccc1)N(Cc1ccc(o1)[*:1])[C@@H]1CCS(=O)(=O)C1
CSc1ccc(NC(=O)N(C)[C@H](C)c2nc(C)sc2C)cc1 Cc1nc(c(C)s1)[*:1] CSc1ccc(cc1)NC(=O)N(C)[C@H](C)[*:1]
COc1cccc(C(=O)NCCNC(=O)c2cccnc2)c1F c1cncc(c1)[*:1] COc1cccc(C(=O)NCCNC(=O)[*:1])c1F
CSc1ccccc1NC(=O)CSCC(N)=O NC(=O)[*:1] CSc1ccccc1NC(=O)CSC[*:1]
CSc1ccccc1NC(=O)CSCC(N)=O NC(=O)C[*:1] CSc1ccccc1NC(=O)CS[*:1]
CSc1ccccc1NC(=O)CSCC(N)=O NC(=O)CS[*:1] CSc1ccccc1NC(=O)C[*:1]
CCOc1ccc(C(=O)O[C@@H]2CCC[C@H](OC)C2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)O[C@@H]1CCC[C@@H](C1)OC
C[C@H]1CCC[C@@H](NC(=O)CCC[NH3+])C1 [NH3+]CC[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C[*:1]
C[C@H]1CCC[C@@H](NC(=O)CCC[NH3+])C1 [NH3+]CCC[*:1] C[C@H]1CCC[C@H](C1)NC(=O)[*:1]
CC(C)N[C@](C)(C#N)CCC[NH+]1C[C@H](C)[C@@H](C)C1 CC(C)[*:1] C[C@H]1C[NH+](CCC[C@@](C)(C#N)N[*:1])C[C@@H]1C
CC(C)N[C@](C)(C#N)CCC[NH+]1C[C@H](C)[C@@H](C)C1 CC(C)N[*:1] C[C@H]1C[NH+](CCC[C@](C)(C#N)[*:1])C[C@@H]1C
CCCC[C@H]([NH2+]C)c1ccc(OC)cc1 CCC[*:1] C[NH2+][C@@H](C[*:1])c1ccc(cc1)OC
CCCC[C@H]([NH2+]C)c1ccc(OC)cc1 CCCC[*:1] C[NH2+][C@H](c1ccc(cc1)OC)[*:1]
CC(C)CC(=O)Nc1ccc(NCc2ccco2)cc1 CC(C)[*:1] O=C(C[*:1])Nc1ccc(cc1)NCc1ccco1
CC(C)CC(=O)Nc1ccc(NCc2ccco2)cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)NCc1ccco1)[*:1]
CC(C)CC(=O)Nc1ccc(NCc2ccco2)cc1 c1coc(c1)[*:1] CC(C)CC(=O)Nc1ccc(cc1)NC[*:1]
CC(C)CC(=O)Nc1ccc(NCc2ccco2)cc1 c1coc(c1)C[*:1] CC(C)CC(=O)Nc1ccc(cc1)N[*:1]
O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 O=C(NC[*:1])c1cccc(Cl)c1 c1ccc(cc1)N1CCN(CC1)[C@H](c1ccc2OCOc2c1)[*:1]
O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccc2OCOc2c1)N1CCN(CC1)[*:1])c1cccc(Cl)c1
O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NC[C@@H](c1ccc2OCOc2c1)N1CCN(CC1)c1ccccc1)[*:1]
O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 O=C(N[*:1])c1cccc(Cl)c1 c1ccc(cc1)N1CCN(CC1)[C@@H](C[*:1])c1ccc2OCOc2c1
O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 c1cc2OCOc2cc1[*:1] O=C(NC[C@@H](N1CCN(CC1)c1ccccc1)[*:1])c1cccc(Cl)c1
O=C(OC1CCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(OC1CCC1)[C@@H]1CCCCN1S(=O)(=O)[*:1]
O=C(OC1CCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 O=C(OC1CCC1)[*:1] O=S(=O)(c1ccccc1)N1CCCC[C@H]1[*:1]
O=C(OC1CCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 C1CC(C1)[*:1] O=C(O[*:1])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
Cc1cc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)ncc1Br FC(F)(F)[*:1] Cc1cc(ncc1Br)NC(=O)[C@@]1(CC[NH2+]C1)[*:1]
Cc1ccc(CNC(=O)c2cccc(Oc3cc(-c4cccc(F)c4)ncn3)c2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])c1cccc(c1)Oc1cc(ncn1)-c1cccc(F)c1
Cc1ccc(CNC(=O)c2cccc(Oc3cc(-c4cccc(F)c4)ncn3)c2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)CNC(=O)c1cccc(c1)Oc1cc(ncn1)[*:1]
Cc1ccc(CNC(=O)c2cccc(Oc3cc(-c4cccc(F)c4)ncn3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1cccc(c1)Oc1cc(ncn1)-c1cccc(F)c1
CCCCn1nc(C(=O)N[C@H](c2ccccc2)C2CCCC2)ccc1=O c1ccc(cc1)[*:1] CCCCn1nc(ccc1=O)C(=O)N[C@H](C1CCCC1)[*:1]
CCCCn1nc(C(=O)N[C@H](c2ccccc2)C2CCCC2)ccc1=O C1CCC(C1)[*:1] CCCCn1nc(ccc1=O)C(=O)N[C@H](c1ccccc1)[*:1]
CCCCn1nc(C(=O)N[C@H](c2ccccc2)C2CCCC2)ccc1=O CCCC[*:1] O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccc(=O)n(n1)[*:1]
CCCCn1nc(C(=O)N[C@H](c2ccccc2)C2CCCC2)ccc1=O CCC[*:1] O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccc(=O)n(C[*:1])n1
CC[C@H]1C(=O)NC(C)(C)C(=O)N1CC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] CC[C@H]1C(=O)NC(C)(C)C(=O)N1CC(C)(C)[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)NCCc1ccccn1 c1ccc(nc1)[*:1] O=C(/C=C/c1ccc2OCOc2c1)NCC[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)NCCc1ccccn1 c1ccc(C[*:1])nc1 O=C(/C=C/c1ccc2OCOc2c1)NC[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(c4nc5ccccc5s4)CC3)C2)cc1 c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N1CCC(CC1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(c4nc5ccccc5s4)CC3)C2)cc1 COc1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)S(=O)(=O)[*:1])N1CCC(CC1)c1nc2ccccc2s1
CCC[C@@H](CBr)CN1CC(=O)N2CCC[C@@H]2C1=O CCC[*:1] O=C1[C@H]2CCCN2C(=O)CN1C[C@H](CBr)[*:1]
CCC[C@@H](CBr)CN1CC(=O)N2CCC[C@@H]2C1=O CCC[C@@H](CBr)[*:1] O=C1[C@H]2CCCN2C(=O)CN1C[*:1]
CCC[NH+]1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCC[NH+]1CCC(CC1)NS(=O)(=O)c1ccccc1[*:1]
CCC[NH+]1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 CCC[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CC[NH+](CC1)[*:1]
CCN(CC(C)(C)O)C(=O)Cn1c(C)csc1=O CC(C)(O)C[*:1] CCN(C(=O)Cn1c(C)csc1=O)[*:1]
CCN(CC(C)(C)O)C(=O)Cn1c(C)csc1=O CC(C)(O)[*:1] CCN(C[*:1])C(=O)Cn1c(C)csc1=O
COC[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F COC[C@H](O)[*:1] CN(C[*:1])C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F
COC[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F COC[*:1] CN(C[C@@H](O)[*:1])C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F
COC[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F COC[C@H](O)C[*:1] CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[*:1]
O=C(CS(=O)(=O)c1ccccc1)NCc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])NCc1ccc2OCOc2c1
CC(C)[C@@H](Cl)C1CCOCC1 CC(C)[*:1] Cl[C@@H](C1CCOCC1)[*:1]
CCOc1ccc(COc2cc(C)ccc2C(C)=O)nc1 CC(=O)[*:1] CCOc1ccc(COc2cc(C)ccc2[*:1])nc1
CCOc1ccc(COc2cc(C)ccc2C(C)=O)nc1 CCO[*:1] CC(=O)c1ccc(C)cc1OCc1ccc(cn1)[*:1]
O=C(CSc1nc2ccccc2s1)N1CCN(C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] O=C(CSc1nc2ccccc2s1)N1CCN(CC1)[*:1]
CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCOC(=O)C[C@H](C)NC(=O)Nc1nn(-c2ccccc2Cl)cc1C CCOC(=O)C[C@H](C)[*:1] Cc1cn(nc1NC(=O)N[*:1])-c1ccccc1Cl
CCOC(=O)C[C@H](C)NC(=O)Nc1nn(-c2ccccc2Cl)cc1C CCOC(=O)C[*:1] Cc1cn(nc1NC(=O)N[C@@H](C)[*:1])-c1ccccc1Cl
CCOC(=O)C[C@H](C)NC(=O)Nc1nn(-c2ccccc2Cl)cc1C Clc1ccccc1[*:1] CCOC(=O)C[C@H](C)NC(=O)Nc1nn(cc1C)[*:1]
CCOC(=O)C[C@H](C)NC(=O)Nc1nn(-c2ccccc2Cl)cc1C CCOC(=O)[*:1] Cc1cn(nc1NC(=O)N[C@@H](C)C[*:1])-c1ccccc1Cl
CC(C)COc1ccc(COC[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 CC(C)[*:1] CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2COCc1ccc(cc1)OC[*:1]
CC(C)COc1ccc(COC[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 CC(C)CO[*:1] CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2COCc1ccc(cc1)[*:1]
CC(C)COc1ccc(COC[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 CC(C)C[*:1] CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2COCc1ccc(cc1)O[*:1]
Cc1cc(C)n([C@H](C)C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)n1 c1cn(cn1)C[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)NCc1ccccc1-c1ccc(cc1)[*:1]
Cc1cc(C)n([C@H](C)C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)n1 c1cn(cn1)[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)NCc1ccccc1-c1ccc(cc1)C[*:1]
Cc1cc(C)n([C@H](C)C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](C(=O)NCc1ccccc1-c1ccc(cc1)Cn1ccnc1)[*:1]
CC[C@@H](C)[C@H](CSc1cccc(F)c1)[NH2+]C CC[C@@H](C)[*:1] C[NH2+][C@@H](CSc1cccc(F)c1)[*:1]
CCOCc1cccc(NC(=O)N(C)CCN2CCOCC2)c1 CCO[*:1] CN(CCN1CCOCC1)C(=O)Nc1cccc(c1)C[*:1]
CCOCc1cccc(NC(=O)N(C)CCN2CCOCC2)c1 C1CN(CCO1)C[*:1] CCOCc1cccc(c1)NC(=O)N(C)C[*:1]
CCOCc1cccc(NC(=O)N(C)CCN2CCOCC2)c1 CCOC[*:1] CN(CCN1CCOCC1)C(=O)Nc1cccc(c1)[*:1]
CCOCc1cccc(NC(=O)N(C)CCN2CCOCC2)c1 C1CN(CCO1)[*:1] CCOCc1cccc(c1)NC(=O)N(C)CC[*:1]
Cc1ccc(/C=C/C(=O)NNC(=O)COc2cccc(C)c2C)cc1 Cc1cccc(c1C)[*:1] Cc1ccc(/C=C/C(=O)NNC(=O)CO[*:1])cc1
Cc1ccc(/C=C/C(=O)NNC(=O)COc2cccc(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(OCC(=O)NNC(=O)C=C[*:1])c1C
O=C(Nc1cnn(-c2ccccc2)c1)[C@H]1C[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1cnn(c1)-c1ccccc1)[C@H]1C[C@@H]1[*:1]
O=C(Nc1cnn(-c2ccccc2)c1)[C@H]1C[C@H]1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)[*:1])[C@H]1C[C@H]1c1ccc(Cl)cc1
CC[C@H](C)Oc1cccc(NC(=O)C(=O)N[C@@H]2CC=CCC2)c1 CC[C@H](C)[*:1] O=C(Nc1cccc(c1)O[*:1])C(=O)N[C@@H]1CC=CCC1
CC[C@H](C)Oc1cccc(NC(=O)C(=O)N[C@@H]2CC=CCC2)c1 CC[C@H](C)O[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N[C@@H]1CC=CCC1
CC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 CC(=O)[*:1] O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1cccc(c1)[*:1]
CCOc1cc(CN2CCC3(C2)OCCO3)ccc1OC(F)F FC(F)[*:1] CCOc1cc(ccc1O[*:1])CN1CCC2(C1)OCCO2
CCOc1cc(CN2CCC3(C2)OCCO3)ccc1OC(F)F CCO[*:1] FC(F)Oc1ccc(cc1[*:1])CN1CCC2(C1)OCCO2
CCOc1cc(CN2CCC3(C2)OCCO3)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(ccc1[*:1])CN1CCC2(C1)OCCO2
CCCNC(=O)c1cccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)c1 CCC[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)c1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)c1 CCCNC(=O)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CCCNC(=O)c1cccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)c1 COC(=O)C(C)(C)[*:1] CCCNC(=O)c1cccc(c1)C(=O)N1CCC[C@H](C1)[*:1]
CCCNC(=O)c1cccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)c1 COC(=O)[*:1] CCCNC(=O)c1cccc(c1)C(=O)N1CCC[C@@H](C1)C(C)(C)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-c1nn(cc1/C=C(\C#N)C(=O)NC[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1/C=C(\C#N)C(=O)NCc1ccco1)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)-c1nn(cc1/C=C(\C#N)C(=O)N[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] COc1ccc(cc1)-c1nn(cc1C=C(C#N)[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 COc1ccc(cc1)[*:1] N#C/C(=C\c1cn(nc1[*:1])-c1ccccc1)C(=O)NCc1ccco1
CCCN1CCN(C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)CC1 CCC[*:1] O=C(Cn1cnc2ccccc2c1=O)NCCC(=O)N1CCN(CC1)[*:1]
O=C([O-])C[C@@H](c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C1=O O=C([O-])[*:1] O=C1c2ccccc2CN1[C@@H](C[*:1])c1cccc(c1)[N+](=O)[O-]
O=C([O-])C[C@@H](c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C1=O O=[N+]([O-])[*:1] O=C([O-])C[C@@H](c1cccc(c1)[*:1])N1Cc2ccccc2C1=O
O=C([O-])C[C@@H](c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C1=O O=C([O-])C[*:1] O=C1c2ccccc2CN1[C@H](c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1nc(-c2cccc(C(=O)NCCCN3C(=O)CNC3=O)c2)cs1 O=C1CNC(=O)N1C[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)NCC[*:1]
Cc1nc(-c2cccc(C(=O)NCCCN3C(=O)CNC3=O)c2)cs1 O=C1CNC(=O)N1[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)NCCC[*:1]
Cc1nc(-c2cccc(C(=O)NCCCN3C(=O)CNC3=O)c2)cs1 Cc1nc(cs1)[*:1] O=C(NCCCN1C(=O)CNC1=O)c1cccc(c1)[*:1]
CC(=O)Nc1ccc(N[C@H](C)C(=O)NC(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] CC(=O)Nc1ccc(cc1)N[C@H](C)C(=O)NC(=O)N[*:1]
CC(=O)Nc1ccc(N[C@H](C)C(=O)NC(=O)NC2CCCC2)cc1 CC(=O)N[*:1] C[C@@H](Nc1ccc(cc1)[*:1])C(=O)NC(=O)NC1CCCC1
CCOc1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1OC CCO[*:1] COc1ccc2nc(C)c(cc2c1)C(=O)Nc1ccc(c(c1)OC)[*:1]
COc1ccccc1NC(=S)NNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O Clc1ccc(cc1)[*:1] COc1ccccc1NC(=S)NNC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COc1ccccc1NC(=S)NNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O COc1ccccc1[*:1] O=C(NNC(=S)N[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccc(Cl)cc1
Cc1csc(NC(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(Cl)cc2)n1 Cc1csc(n1)[*:1] O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(Cl)cc1)N[*:1]
Cc1csc(NC(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(Cl)cc2)n1 Cc1csc(n1)NC(=O)C[*:1] Clc1ccc(cc1)-n1c(C[NH+]2CCCCC2)nnc1S[*:1]
Cc1csc(NC(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(Cl)cc2)n1 Cc1csc(n1)NC(=O)[*:1] Clc1ccc(cc1)-n1c(C[NH+]2CCCCC2)nnc1SC[*:1]
Cc1csc(NC(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)CSc1nnc(C[NH+]2CCCCC2)n1[*:1]
CCN(Cc1ccc(C[NH3+])cn1)Cc1cccs1 c1csc(c1)C[*:1] CCN(Cc1ccc(cn1)C[NH3+])[*:1]
CCN(Cc1ccc(C[NH3+])cn1)Cc1cccs1 c1csc(c1)[*:1] CCN(Cc1ccc(cn1)C[NH3+])C[*:1]
CN(C)C(=O)CN(C)C(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] CN(C)C(=O)CN(C)C(=O)c1ncccc1[*:1]
CN(C)C(=O)CN(C)C(=O)c1ncccc1C(F)(F)F CN(C)C(=O)[*:1] CN(C[*:1])C(=O)c1ncccc1C(F)(F)F
CN(C)C(=O)CN(C)C(=O)c1ncccc1C(F)(F)F CN(C)C(=O)C[*:1] CN(C(=O)c1ncccc1C(F)(F)F)[*:1]
C[C@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@@H](/C=C/c3ccccc3)[C@@H]21 c1ccc(cc1)[*:1] C[C@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@@H](C=C[*:1])[C@@H]21
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@H](CC1CCCCC1)C(=O)NNC(=O)[*:1]
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)[C@@H]1CCCO1 C1CCC(CC1)C[*:1] CC[C@H](C(=O)NNC(=O)[C@@H]1CCCO1)[*:1]
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)[C@@H]1CCCO1 C1CCC(CC1)[*:1] CC[C@H](C[*:1])C(=O)NNC(=O)[C@@H]1CCCO1
Fc1ccc(Cn2nnnc2CN2CCN(c3ccccc3)CC2)cc1 Fc1ccc(cc1)C[*:1] c1ccc(cc1)N1CCN(CC1)Cc1nnnn1[*:1]
Fc1ccc(Cn2nnnc2CN2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)Cn1nnnc1CN1CCN(CC1)[*:1]
Fc1ccc(Cn2nnnc2CN2CCN(c3ccccc3)CC2)cc1 Fc1ccc(cc1)[*:1] c1ccc(cc1)N1CCN(CC1)Cc1nnnn1C[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)[C@H](C)Cc1ccccc1F COc1ccccc1[*:1] C[C@H](N(C)C(=O)[C@H](C)Cc1ccccc1F)[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)[C@H](C)Cc1ccccc1F Fc1ccccc1[*:1] COc1ccccc1[C@H](C)N(C)C(=O)[C@H](C)C[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)[C@H](C)Cc1ccccc1F Fc1ccccc1C[*:1] COc1ccccc1[C@H](C)N(C)C(=O)[C@H](C)[*:1]
CN(C)/C=N/C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] CN(C)/C=N/C(=O)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)cc1 O=c1[nH]cncc1[*:1] CC(C)c1ccc(cc1)N[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)cc1 CC(C)[*:1] O=C(c1cnc[nH]c1=O)N1CCC[C@H](C1)Nc1ccc(cc1)[*:1]
Cc1cccnc1CN1CCN(C(=O)[C@H]2CC(Cc3cccc(F)c3)=NO2)CC1 Fc1cccc(c1)C[*:1] Cc1cccnc1CN1CCN(CC1)C(=O)[C@H]1CC(=NO1)[*:1]
Cc1cccnc1CN1CCN(C(=O)[C@H]2CC(Cc3cccc(F)c3)=NO2)CC1 Cc1cccnc1[*:1] O=C([C@H]1CC(Cc2cccc(F)c2)=NO1)N1CCN(CC1)C[*:1]
Cc1cccnc1CN1CCN(C(=O)[C@H]2CC(Cc3cccc(F)c3)=NO2)CC1 Fc1cccc(c1)[*:1] Cc1cccnc1CN1CCN(CC1)C(=O)[C@H]1CC(C[*:1])=NO1
Cc1cccnc1CN1CCN(C(=O)[C@H]2CC(Cc3cccc(F)c3)=NO2)CC1 Cc1cccnc1C[*:1] O=C([C@H]1CC(Cc2cccc(F)c2)=NO1)N1CCN(CC1)[*:1]
C[C@H](C[NH2+]Cc1ccccc1-n1cccn1)C[NH+]1CCCC1 c1cnn(c1)[*:1] C[C@H](C[NH2+]Cc1ccccc1[*:1])C[NH+]1CCCC1
CN(C)c1nc(N(C)C)c2c([nH+]1)CN(C(=O)c1ncc[nH]1)CC2 CN(C)[*:1] CN(C)c1nc(c2CCN(Cc2[nH+]1)C(=O)c1ncc[nH]1)[*:1]
CN(C)c1nc(N(C)C)c2c([nH+]1)CN(C(=O)c1ncc[nH]1)CC2 c1c[nH]c(n1)[*:1] CN(C)c1nc(c2CCN(Cc2[nH+]1)C(=O)[*:1])N(C)C
CN(C)c1nc(N(C)C)c2c([nH+]1)CN(C(=O)c1ncc[nH]1)CC2 CN(C)[*:1] CN(C)c1nc([nH+]c2CN(CCc12)C(=O)c1ncc[nH]1)[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)[C@H]1CC=CC[C@@H]1[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1
Cc1cc([C@@H]2C[C@@H](C(=O)NCC3CC3)CN(C(=O)NC(C)C)C2)ccc1F O=C(NCC1CC1)[*:1] Cc1cc(ccc1F)[C@@H]1C[C@@H](CN(C1)C(=O)NC(C)C)[*:1]
Cc1cc([C@@H]2C[C@@H](C(=O)NCC3CC3)CN(C(=O)NC(C)C)C2)ccc1F C1CC1[*:1] Cc1cc(ccc1F)[C@@H]1C[C@H](CN(C1)C(=O)NC(C)C)C(=O)NC[*:1]
Cc1cc([C@@H]2C[C@@H](C(=O)NCC3CC3)CN(C(=O)NC(C)C)C2)ccc1F C1CC1C[*:1] Cc1cc(ccc1F)[C@@H]1C[C@H](CN(C1)C(=O)NC(C)C)C(=O)N[*:1]
Cc1cc([C@@H]2C[C@@H](C(=O)NCC3CC3)CN(C(=O)NC(C)C)C2)ccc1F Cc1cc(ccc1F)[*:1] CC(C)NC(=O)N1C[C@@H](C[C@H](C1)C(=O)NCC1CC1)[*:1]
Cc1cc([C@@H]2C[C@@H](C(=O)NCC3CC3)CN(C(=O)NC(C)C)C2)ccc1F CC(C)[*:1] Cc1cc(ccc1F)[C@@H]1C[C@H](CN(C1)C(=O)N[*:1])C(=O)NCC1CC1
CC(=O)Nc1ccc(CN2CCN(c3ccc(C#N)cc3F)CC2)cc1 CC(=O)N[*:1] N#Cc1ccc(c(F)c1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
O=C(CCc1nnc2ccc(N3CCOCC3)nn12)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1cc2nnc(CC[*:1])n2nc1N1CCOCC1
O=C(CCc1nnc2ccc(N3CCOCC3)nn12)N1CCOCC1 C1CN(CCO1)[*:1] O=C(CCc1nnc2ccc(nn12)[*:1])N1CCOCC1
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCC1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)N(CCC(F)(F)F)C1CCC1)[*:1]
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCC1)c1cccc(C#N)c1 FC(F)(F)[*:1] C[C@H](NC(=O)N(CC[*:1])C1CCC1)c1cccc(C#N)c1
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCC1)c1cccc(C#N)c1 FC(F)(F)CC[*:1] C[C@H](NC(=O)N(C1CCC1)[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCC1)c1cccc(C#N)c1 C1CC(C1)[*:1] C[C@H](NC(=O)N(CCC(F)(F)F)[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCC1)c1cccc(C#N)c1 FC(F)(F)C[*:1] C[C@H](NC(=O)N(C[*:1])C1CCC1)c1cccc(C#N)c1
CCN(Cc1ccccn1)c1cccc(C(N)=[NH2+])n1 NC(=[NH2+])[*:1] CCN(Cc1ccccn1)c1cccc(n1)[*:1]
CCN(Cc1ccccn1)c1cccc(C(N)=[NH2+])n1 c1ccc(nc1)[*:1] CCN(C[*:1])c1cccc(n1)C(N)=[NH2+]
Cc1nc(Cl)ccc1C(=O)N(C[C@@H]1CCCCO1)C(C)C C1CC[C@H](OC1)[*:1] Cc1nc(Cl)ccc1C(=O)N(C[*:1])C(C)C
Cc1nc(Cl)ccc1C(=O)N(C[C@@H]1CCCCO1)C(C)C C1CC[C@@H](C[*:1])OC1 Cc1nc(Cl)ccc1C(=O)N(C(C)C)[*:1]
Cc1nc(Cl)ccc1C(=O)N(C[C@@H]1CCCCO1)C(C)C CC(C)[*:1] Cc1nc(Cl)ccc1C(=O)N(C[C@@H]1CCCCO1)[*:1]
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 O=[N+]([O-])[*:1] Cc1cc(Cl)c(cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC2)c1 Cc1cc(C)cc(c1)[*:1] CC(C)(C)S(=O)(=O)CC(=O)N1CC=C(CC1)[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC2)c1 CC(C)(C)[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)CS(=O)(=O)[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC2)c1 CC(C)(C)S(=O)(=O)C[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC2)c1 CC(C)(C)S(=O)(=O)[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)C[*:1]
CN(Cc1cnccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 Fc1ccc(cc1)C[*:1] CN(Cc1cnccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2
CN(Cc1cnccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 c1cnc(cn1)C[*:1] CN(C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2)[*:1]
CN(Cc1cnccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 c1cnc(cn1)[*:1] CN(C[*:1])C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2
CN(Cc1cnccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(F)cc4)C(=O)[C@H]13)O2 Fc1ccc(cc1)[*:1] CN(Cc1cnccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@H]13)O2
C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@H](C)Oc1ccc(cc1)[*:1]
CC[C@@](C)([C@@H](O)CCC1CC1)[NH+](C)C C1CC1C[*:1] CC[C@@](C)([C@@H](O)C[*:1])[NH+](C)C
CC[C@@](C)([C@@H](O)CCC1CC1)[NH+](C)C C1CC1[*:1] CC[C@@](C)([C@@H](O)CC[*:1])[NH+](C)C
Cc1noc(C)c1S(=O)(=O)N1CCN(CCOC(C)C)CC1 CC(C)O[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)CC[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(CCOC(C)C)CC1 CC(C)OCC[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(CCOC(C)C)CC1 Cc1noc(C)c1[*:1] CC(C)OCCN1CCN(CC1)S(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(CCOC(C)C)CC1 CC(C)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CCO[*:1])CC1
Cc1noc(C)c1S(=O)(=O)N1CCN(CCOC(C)C)CC1 CC(C)OC[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)C[*:1]
O=C(Nc1cccn(Cc2ccccc2)c1=O)N1C[C@H]2CCCC[C@H]2C1 c1ccc(cc1)C[*:1] O=C(Nc1cccn(c1=O)[*:1])N1C[C@H]2CCCC[C@H]2C1
O=C(Nc1cccn(Cc2ccccc2)c1=O)N1C[C@H]2CCCC[C@H]2C1 c1ccc(cc1)[*:1] O=C(Nc1cccn(C[*:1])c1=O)N1C[C@H]2CCCC[C@H]2C1
Cc1noc(C)c1CC(=O)Nc1cc(C(=O)N(C)C)ccc1F Cc1noc(C)c1[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)C[*:1]
Cc1noc(C)c1CC(=O)Nc1cc(C(=O)N(C)C)ccc1F CN(C)C(=O)[*:1] Cc1noc(C)c1CC(=O)Nc1cc(ccc1F)[*:1]
CCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C CCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2[*:1]
CCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C c1ccc(cc1)[*:1] CCCn1c(nc2c1c(=O)[nH]c(=O)n2C)NC[*:1]
CCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C c1ccc(cc1)C[*:1] CCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N[*:1]
C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cc[nH]c2)CC1 C1CCC(C1)[*:1] C[C@@H](C(=O)N[*:1])N1CC[NH+](CC1)Cc1cc[nH]c1
C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cc[nH]c2)CC1 c1cc(c[nH]1)[*:1] C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CC1)C[*:1]
Cc1n[nH]c(C(F)(F)Cl)c1C(=O)[O-] O=C([O-])[*:1] Cc1n[nH]c(c1[*:1])C(F)(F)Cl
Cc1n[nH]c(C(F)(F)Cl)c1C(=O)[O-] FC(F)(Cl)[*:1] Cc1n[nH]c(c1C(=O)[O-])[*:1]
CCSC1(CNC(=O)N[C@H]2CC[C@@H](SC)C2)CCOCC1 CCS[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)NCC1(CCOCC1)[*:1]
C[NH+](Cc1cccc(C2CC2)c1)C1CCC([NH3+])CC1 C1CC1[*:1] C[NH+](Cc1cccc(c1)[*:1])C1CCC([NH3+])CC1
CC(C)(C)/N=C/CCCC1OCCO1 CC(C)(C)[*:1] C(CCCC1OCCO1)=N[*:1]
N#CCNC(=O)CCc1nc(-c2cccs2)no1 N#CC[*:1] O=C(CCc1nc(no1)-c1cccs1)N[*:1]
N#CCNC(=O)CCc1nc(-c2cccs2)no1 N#CCNC(=O)[*:1] c1csc(c1)-c1noc(CC[*:1])n1
N#CCNC(=O)CCc1nc(-c2cccs2)no1 c1csc(c1)[*:1] N#CCNC(=O)CCc1nc(no1)[*:1]
Cc1cnoc1C(=O)NCC[S@@](=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cnoc1C(=O)NCC[S@@](=O)C[*:1]
Cc1cnoc1C(=O)NCC[S@@](=O)Cc1ccccc1 Cc1cnoc1[*:1] O=C(NCC[S@@](=O)Cc1ccccc1)[*:1]
C[C@H]1CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]1CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2[*:1]
O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)N[*:1]
O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(C[NH+]2CCCC2)n1[*:1])Nc1ccc(F)cc1
CN1C(=O)C2=NC(N3CCN(C(=S)NC4CC4)CC3)=N[C@@H]2N(C)C1=O C1CC1[*:1] CN1C(=O)C2=NC(=N[C@@H]2N(C)C1=O)N1CCN(CC1)C(=S)N[*:1]
Cc1cccc(CN(C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 CC(C)C[*:1] Cc1cccc(CN(C)C(=O)N[C@@H](C(=O)[O-])[*:1])n1
Cc1cccc(CN(C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 CC(C)[*:1] Cc1cccc(CN(C)C(=O)N[C@@H](C[*:1])C(=O)[O-])n1
Cc1cccc(CN(C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 O=C([O-])[*:1] Cc1cccc(CN(C)C(=O)N[C@@H](CC(C)C)[*:1])n1
Cc1cccc(CN(C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 Cc1cccc(n1)[*:1] CC(C)C[C@H](NC(=O)N(C)C[*:1])C(=O)[O-]
Cc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(=O)n2C Cc1ccccc1[*:1] Cn1c2NC3CCCC(=O)C=3[C@@H](c2c(=O)[nH]c1=O)[*:1]
CC(=O)N(C[C@@H]1OC(c2cccc(Oc3ccccc3)c2)=NN1C(C)=O)c1ccc(Cl)cc1C c1ccc(cc1)[*:1] CC(=O)N(C[C@@H]1OC(=NN1C(C)=O)c1cccc(c1)O[*:1])c1ccc(Cl)cc1C
CC(=O)N(C[C@@H]1OC(c2cccc(Oc3ccccc3)c2)=NN1C(C)=O)c1ccc(Cl)cc1C Cc1cc(Cl)ccc1[*:1] CC(=O)N1N=C(O[C@H]1CN(C(C)=O)[*:1])c1cccc(c1)Oc1ccccc1
CC(=O)N(C[C@@H]1OC(c2cccc(Oc3ccccc3)c2)=NN1C(C)=O)c1ccc(Cl)cc1C c1ccc(cc1)O[*:1] CC(=O)N(C[C@@H]1OC(=NN1C(C)=O)c1cccc(c1)[*:1])c1ccc(Cl)cc1C
C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1ccc2c(c1)OCO2 c1cncc(c1)[*:1] C[C@@H](NC(=O)c1cc(nc2c1cnn2Cc1ccco1)[*:1])c1ccc2OCOc2c1
C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@@H](NC(=O)c1cc(nc2c1cnn2Cc1ccco1)-c1cccnc1)[*:1]
C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1ccc2c(c1)OCO2 c1coc(c1)[*:1] C[C@@H](NC(=O)c1cc(nc2c1cnn2C[*:1])-c1cccnc1)c1ccc2OCOc2c1
C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1ccc2c(c1)OCO2 c1coc(c1)C[*:1] C[C@@H](NC(=O)c1cc(nc2c1cnn2[*:1])-c1cccnc1)c1ccc2OCOc2c1
CN(CCc1cn[nH]c1)Cc1c(C(=O)N2CCCC2)nc2ccccn12 c1n[nH]cc1C[*:1] CN(Cc1c(nc2ccccn12)C(=O)N1CCCC1)C[*:1]
CN(CCc1cn[nH]c1)Cc1c(C(=O)N2CCCC2)nc2ccccn12 c1n[nH]cc1[*:1] CN(CC[*:1])Cc1c(nc2ccccn12)C(=O)N1CCCC1
CN(CCc1cn[nH]c1)Cc1c(C(=O)N2CCCC2)nc2ccccn12 c1n[nH]cc1CC[*:1] CN(Cc1c(nc2ccccn12)C(=O)N1CCCC1)[*:1]
CN(CCc1cn[nH]c1)Cc1c(C(=O)N2CCCC2)nc2ccccn12 O=C(N1CCCC1)[*:1] CN(CCc1cn[nH]c1)Cc1c(nc2ccccn12)[*:1]
CC[C@@H](C)CS(=O)(=O)Cc1ccc(Cl)s1 CC[C@@H](C)[*:1] O=S(=O)(Cc1ccc(Cl)s1)C[*:1]
CC[C@@H](C)CS(=O)(=O)Cc1ccc(Cl)s1 CC[C@@H](C)C[*:1] O=S(=O)(Cc1ccc(Cl)s1)[*:1]
Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(c2nccs2)CCCC1 c1csc(n1)[*:1] Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(CCCC1)[*:1]
CC(C)c1noc(CCCC(=O)NCC2CCCCCCC2)n1 CC(C)[*:1] O=C(CCCc1nc(no1)[*:1])NCC1CCCCCCC1
C[C@H](O)c1cnn([C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] C[C@H](O)c1cnn(c1)[C@@H]1CCC[C@H](C1)[*:1]
C[C@H](O)c1cnn([C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 C[C@H](O)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)n1cc(cn1)[*:1]
COC(=O)C[C@@H](C)NC(=O)CNC(=O)C(C)(C)C COC(=O)C[*:1] C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[*:1]
COC(=O)C[C@@H](C)NC(=O)CNC(=O)C(C)(C)C CC(C)(C)[*:1] COC(=O)C[C@@H](C)NC(=O)CNC(=O)[*:1]
COC(=O)C[C@@H](C)NC(=O)CNC(=O)C(C)(C)C COC(=O)[*:1] C[C@H](C[*:1])NC(=O)CNC(=O)C(C)(C)C
Cc1nc(-c2cc(C(=O)NCCc3ccc[nH]3)co2)cs1 Cc1nc(cs1)[*:1] O=C(NCCc1ccc[nH]1)c1coc(c1)[*:1]
Cc1nc(-c2cc(C(=O)NCCc3ccc[nH]3)co2)cs1 c1c[nH]c(c1)C[*:1] Cc1nc(cs1)-c1cc(co1)C(=O)NC[*:1]
Cc1nc(-c2cc(C(=O)NCCc3ccc[nH]3)co2)cs1 c1c[nH]c(c1)[*:1] Cc1nc(cs1)-c1cc(co1)C(=O)NCC[*:1]
Cc1nc(-c2cc(C(=O)NCCc3ccc[nH]3)co2)cs1 c1c[nH]c(c1)CC[*:1] Cc1nc(cs1)-c1cc(co1)C(=O)N[*:1]
COc1ccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 Fc1ccc(cc1)[*:1] COc1ccc2cc(CN(CCc3ccccc3)C(=O)N[*:1])c(=O)[nH]c2c1
COc1ccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 c1ccc(cc1)C[*:1] COc1ccc2cc(CN(C[*:1])C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1
COc1ccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 c1ccc(cc1)CC[*:1] COc1ccc2cc(CN(C(=O)Nc3ccc(F)cc3)[*:1])c(=O)[nH]c2c1
COc1ccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 c1ccc(cc1)[*:1] COc1ccc2cc(CN(CC[*:1])C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1
Cc1ccc(CNC(=O)NCCC(=O)NC2CCCCC2)s1 C1CCC(CC1)[*:1] Cc1ccc(CNC(=O)NCCC(=O)N[*:1])s1
Cc1ccc(CNC(=O)NCCC(=O)NC2CCCCC2)s1 Cc1ccc(s1)[*:1] O=C(CCNC(=O)NC[*:1])NC1CCCCC1
Cc1ccc(CNC(=O)NCCC(=O)NC2CCCCC2)s1 Cc1ccc(C[*:1])s1 O=C(CCNC(=O)N[*:1])NC1CCCCC1
CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)C1 CCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cccc(c1)NS(=O)(=O)c1ccc(Cl)cc1
CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)C1 CCCNC(=O)[*:1] O=C(c1cccc(c1)NS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@@H](C1)[*:1]
CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)C1 Clc1ccc(cc1)[*:1] CCCNC(=O)[C@H]1CCCN(C1)C(=O)c1cccc(c1)NS(=O)(=O)[*:1]
Cc1cn(CC(=O)N[C@@H](CO)c2ccco2)c2ccccc12 c1coc(c1)[*:1] Cc1cn(CC(=O)N[C@@H](CO)[*:1])c2ccccc12
CCn1cc(-c2cc(C(=O)N[C@@H](C)C[NH+]3CCCC3)c3ccccc3n2)cn1 CCn1cc(cn1)[*:1] C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(nc2ccccc12)[*:1]
Cc1nc(C)c(CNC(=O)C[C@H](O)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1nc(C)c(CNC(=O)C[C@H](O)[*:1])s1
Cc1nc(C)c(CNC(=O)C[C@H](O)c2ccc(Cl)cc2)s1 Cc1nc(C)c(s1)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)NC[*:1]
C[C@H]1CCCCN1C(=O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12 c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)c1cnn2c(cc(nc12)[*:1])-c1ccccc1
C[C@H]1CCCCN1C(=O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12 c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)c1cnn2c(cc(nc12)-c1ccccc1)[*:1]
Cc1nc(Cl)sc1C(=O)N1CC[C@H](C(N)=O)c2ccccc21 NC(=O)[*:1] Cc1nc(Cl)sc1C(=O)N1CC[C@H](c2ccccc21)[*:1]
Cc1nc(Cl)sc1C(=O)N1CC[C@H](C(N)=O)c2ccccc21 Cc1nc(Cl)sc1[*:1] NC(=O)[C@H]1CCN(C(=O)[*:1])c2ccccc21
CC[C@H](CSC)N(C)C(=O)c1c(C)nn(CC)c1Cl CSC[*:1] CC[C@H](N(C)C(=O)c1c(C)nn(CC)c1Cl)[*:1]
Cc1cccc(OCCN2C(=O)/C(=N\O)c3ccc(Cl)cc32)c1 Cc1cccc(c1)[*:1] O=C1/C(=N\O)c2ccc(Cl)cc2N1CCO[*:1]
CCOc1ccc(N2C(=O)[C@@H](/C=N/CC[NH+](C)C)C(=O)NC2=S)cc1 CCO[*:1] C[NH+](C)CC/N=C/[C@H]1C(=O)NC(=S)N(C1=O)c1ccc(cc1)[*:1]
CC(C)(C)c1cccc(O[C@H]2CC[C@H](O)C2)c1 CC(C)(C)[*:1] O[C@H]1CC[C@@H](C1)Oc1cccc(c1)[*:1]
Fc1ccc(-n2nc(CSc3ccccn3)c3c2CCC3)cc1 c1ccc(nc1)[*:1] Fc1ccc(cc1)-n1nc(CS[*:1])c2CCCc21
Fc1ccc(-n2nc(CSc3ccccn3)c3c2CCC3)cc1 Fc1ccc(cc1)[*:1] c1ccc(nc1)SCc1nn(c2CCCc12)[*:1]
Fc1ccc(-n2nc(CSc3ccccn3)c3c2CCC3)cc1 c1ccc(nc1)S[*:1] Fc1ccc(cc1)-n1nc(C[*:1])c2CCCc21
Cc1ncccc1C(=O)N[C@@H](C[NH3+])C(C)C CC(C)[*:1] Cc1ncccc1C(=O)N[C@@H](C[NH3+])[*:1]
CC[NH2+]Cc1ccc(OCCC(C)(C)O)cc1 CC(C)(O)[*:1] CC[NH2+]Cc1ccc(cc1)OCC[*:1]
CC[NH2+]Cc1ccc(OCCC(C)(C)O)cc1 CC(C)(O)C[*:1] CC[NH2+]Cc1ccc(cc1)OC[*:1]
CS(=O)(=O)c1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 CS(=O)(=O)[*:1] FC(F)(F)c1cccc(c1)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 FC(F)(F)[*:1] CS(=O)(=O)c1ccc(cc1)-c1csc(n1)Nc1cccc(c1)[*:1]
CCc1nn(C)cc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C COc1ccccc1[*:1] CCc1nn(C)cc1NC(=O)NC[C@@H]([NH+](C)C)[*:1]
CCc1nn(C)cc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C CCc1nn(C)cc1[*:1] COc1ccccc1[C@H](CNC(=O)N[*:1])[NH+](C)C
COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)NC[C@H](C)C[NH+]1CCCC1)[*:1]
COCCn1c(C)cc(CN2CCO[C@H]3CC[C@@H](OC)C[C@@H]32)c1C COCC[*:1] CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(C)n(c3C)[*:1])[C@H]2C1
COCCn1c(C)cc(CN2CCO[C@H]3CC[C@@H](OC)C[C@@H]32)c1C COC[*:1] CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(C)n(C[*:1])c3C)[C@H]2C1
CCCOc1ccc(Cl)cc1C(=O)N1CCN(CCO)CC1 CCC[*:1] O=C(c1cc(Cl)ccc1O[*:1])N1CCN(CCO)CC1
CCCOc1ccc(Cl)cc1C(=O)N1CCN(CCO)CC1 OCC[*:1] CCCOc1ccc(Cl)cc1C(=O)N1CCN(CC1)[*:1]
CCCOc1ccc(Cl)cc1C(=O)N1CCN(CCO)CC1 CCCO[*:1] O=C(c1cc(Cl)ccc1[*:1])N1CCN(CCO)CC1
Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCN(CC1)C(=O)[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCN(C(=O)c2cccs2)CC1 Cc1c(Cl)cccc1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1cccs1
CCC(CC)S(=O)(=O)/N=C(\[O-])[C@H]1C[C@H]1c1ccccc1OC CCC(CC)[*:1] COc1ccccc1[C@@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)[*:1]
O=C(C1CC1)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(C1CC1)N1CCCC[C@@H]1CC[*:1]
O=C(C1CC1)N1CCCC[C@@H]1CCc1ccccc1 C1CC1[*:1] O=C(N1CCCC[C@@H]1CCc1ccccc1)[*:1]
[NH3+]C1CCN(CC(=O)NCc2nccs2)CC1 c1csc(n1)[*:1] [NH3+]C1CCN(CC1)CC(=O)NC[*:1]
COc1ccc(OC)c(C[NH2+][C@H](C(N)=O)c2ccccc2)c1 NC(=O)[*:1] COc1ccc(OC)c(c1)C[NH2+][C@H](c1ccccc1)[*:1]
COc1ccc(OC)c(C[NH2+][C@H](C(N)=O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)C[NH2+][C@H](C(N)=O)[*:1]
COCC[NH2+]C[C@@H]1CCO[C@@H]1c1ccc(F)cc1C COC[*:1] Cc1cc(F)ccc1[C@H]1OCC[C@H]1C[NH2+]C[*:1]
COCC[NH2+]C[C@@H]1CCO[C@@H]1c1ccc(F)cc1C COCC[*:1] Cc1cc(F)ccc1[C@H]1OCC[C@H]1C[NH2+][*:1]
COC(=O)c1nn(CC(C)C)c2c1CCCC2 CC(C)C[*:1] COC(=O)c1nn(c2CCCCc12)[*:1]
COC(=O)c1nn(CC(C)C)c2c1CCCC2 COC(=O)[*:1] CC(C)Cn1nc(c2CCCCc21)[*:1]
COC(=O)c1nn(CC(C)C)c2c1CCCC2 CC(C)[*:1] COC(=O)c1nn(C[*:1])c2CCCCc12
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)N[*:1]
Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc(Br)cc1)N1CCC[C@@H]1[*:1]
C[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(N)=O)c1ccc(F)cc1 NC(=O)[*:1] C[C@H](NC(=O)[C@@H](C)Oc1ccccc1[*:1])c1ccc(F)cc1
C[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(N)=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(N)=O)[*:1]
COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1S(=O)(=O)[*:1]
CCO[C@H]1C[C@H]([NH3+])[C@@H]1Nc1ncc(Br)cc1C CCO[*:1] Cc1cc(Br)cnc1N[C@H]1[C@@H]([NH3+])C[C@@H]1[*:1]
O=C(C[C@H]1CCCCC[NH2+]1)c1nccs1 c1csc(n1)[*:1] O=C(C[C@H]1CCCCC[NH2+]1)[*:1]
CCNc1c(NC(=O)C(C)(C)C)c(=O)oc2ccccc12 CCN[*:1] CC(C)(C)C(=O)Nc1c(c2ccccc2oc1=O)[*:1]
CCNc1c(NC(=O)C(C)(C)C)c(=O)oc2ccccc12 CC(C)(C)[*:1] CCNc1c(NC(=O)[*:1])c(=O)oc2ccccc12
CCNc1c(NC(=O)C(C)(C)C)c(=O)oc2ccccc12 CC(C)(C)C(=O)N[*:1] CCNc1c(c(=O)oc2ccccc12)[*:1]
O=S(=O)(CC1CCC1)NCCC[C@@H]1CCCC[C@H]1O C1CC(C1)C[*:1] O=S(=O)(NCCC[C@@H]1CCCC[C@H]1O)[*:1]
O=S(=O)(CC1CCC1)NCCC[C@@H]1CCCC[C@H]1O C1CC(C1)[*:1] O=S(=O)(C[*:1])NCCC[C@@H]1CCCC[C@H]1O
CCC(=O)N(C[C@@H]1C=c2cccc(C)c2=[NH+]C1=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCC(=O)N(C[C@@H]1C=c2cccc(C)c2=[NH+]C1=O)[*:1]
CCNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1ccccc1 c1ccc(cc1)O[*:1] CCNC(=O)NC(=O)CNc1cc(Cl)ccc1[*:1]
CCNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)CNc1cc(Cl)ccc1O[*:1]
CCNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1ccccc1 CCNC(=O)NC(=O)[*:1] Clc1ccc(Oc2ccccc2)c(c1)NC[*:1]
Cc1noc(C)c1CCC(=O)Nc1ccc2c(c1)oc1ccccc12 Cc1noc(C)c1[*:1] O=C(CC[*:1])Nc1ccc2c(c1)oc1ccccc12
Cc1noc(C)c1CCC(=O)Nc1ccc2c(c1)oc1ccccc12 Cc1noc(C)c1C[*:1] O=C(C[*:1])Nc1ccc2c(c1)oc1ccccc12
C[C@@H](c1cccc(O)c1)N(C)Cc1cncs1 c1ncc(s1)[*:1] C[C@@H](c1cccc(O)c1)N(C)C[*:1]
CN(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CN(C)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)NC[*:1]
O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)N[*:1]
O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1SC(=N[*:1])NC1=O)NCc1ccccc1
COC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 NC(=O)C[*:1] COC(=O)C1=C(C)N(C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12)[*:1]
COC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 COC(=O)[*:1] CC1=C([C@]2(C(=O)N1CC(N)=O)C(C#N)=C(N)Oc1ccccc12)[*:1]
COC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 NC(=O)[*:1] COC(=O)C1=C(C)N(C[*:1])C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12
C/C(=C/CC[NH2+]C1CC1)c1cnccn1 C1CC1[*:1] C/C(=C/CC[NH2+][*:1])c1cnccn1
O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccc(C(F)(F)F)cc1 c1coc(c1)[*:1] O=C(NC[C@H](N1CCN(CC1)c1ccccc1F)[*:1])c1ccc(cc1)C(F)(F)F
O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] O=C(NC[C@H](c1ccco1)N1CCN(CC1)c1ccccc1F)[*:1]
O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NC[C@H](c1ccco1)N1CCN(CC1)c1ccccc1F)c1ccc(cc1)[*:1]
O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccc(C(F)(F)F)cc1 Fc1ccccc1[*:1] O=C(NC[C@H](c1ccco1)N1CCN(CC1)[*:1])c1ccc(cc1)C(F)(F)F
COc1ccc(NC(=O)[C@H](C)c2ccsc2)cc1OCC(F)(F)F c1cc(cs1)[*:1] COc1ccc(cc1OCC(F)(F)F)NC(=O)[C@H](C)[*:1]
COc1ccc(NC(=O)[C@H](C)c2ccsc2)cc1OCC(F)(F)F FC(F)(F)C[*:1] COc1ccc(cc1O[*:1])NC(=O)[C@H](C)c1ccsc1
COc1ccc(NC(=O)[C@H](C)c2ccsc2)cc1OCC(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1OC[*:1])NC(=O)[C@H](C)c1ccsc1
COc1ccc(NC(=O)[C@H](C)c2ccsc2)cc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1ccc(cc1[*:1])NC(=O)[C@H](C)c1ccsc1
O=C(NC1CC1)c1csc(NCc2ccccc2Cl)n1 C1CC1[*:1] O=C(N[*:1])c1csc(n1)NCc1ccccc1Cl
O=C(NC1CC1)c1csc(NCc2ccccc2Cl)n1 O=C(NC1CC1)[*:1] Clc1ccccc1CNc1nc(cs1)[*:1]
O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1SCC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(Nc1ccc(cc1)-c1nccs1)c1ccccc1S[*:1]
O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1SCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)-c1nccs1)c1ccccc1SC[*:1]
O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1SCC(=O)N1CCCC1 c1csc(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1SCC(=O)N1CCCC1
O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1SCC(=O)N1CCCC1 O=C(CS[*:1])N1CCCC1 O=C(Nc1ccc(cc1)-c1nccs1)c1ccccc1[*:1]
C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccccc3Cl)cc2C1 Clc1ccccc1[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)NNS(=O)(=O)[*:1]
O=C(CNC(=O)c1ccco1)N/N=C/C=C/c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccco1)N/N=C/C=C[*:1]
O=C(CNC(=O)c1ccco1)N/N=C/C=C/c1ccccc1 c1coc(c1)[*:1] O=C(CNC(=O)[*:1])N/N=C/C=C/c1ccccc1
C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1 CS(=O)(=O)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1ccc(c(F)c1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1 CS(=O)(=O)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1ccc(C[*:1])c(F)c1
COC(=O)c1cc(-c2oc3ccc(Br)cc3c(=O)c2C)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cc(cc(c1)[*:1])-c1oc2ccc(Br)cc2c(=O)c1C
COC(=O)c1cc(-c2oc3ccc(Br)cc3c(=O)c2C)cc([N+](=O)[O-])c1 COC(=O)[*:1] Cc1c(oc2ccc(Br)cc2c1=O)-c1cc(cc(c1)[*:1])[N+](=O)[O-]
C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1csc(COc2ccc(F)cc2)n1 Fc1ccc(cc1)O[*:1] C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1csc(C[*:1])n1
C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1csc(COc2ccc(F)cc2)n1 Fc1ccc(cc1)OC[*:1] C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1csc(n1)[*:1]
C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1csc(COc2ccc(F)cc2)n1 NC(=O)[*:1] C[C@@H]1C[C@@H](c2ccccc2N1Cc1csc(COc2ccc(F)cc2)n1)[*:1]
C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1csc(COc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1csc(CO[*:1])n1
O=C(NCCc1c[nH]c2ccccc12)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccccc12)NC[*:1]
O=C(NCCc1c[nH]c2ccccc12)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCCc1c[nH]c2ccccc12)N[*:1]
O=C(NC1CCN(C(=O)NCc2ccc(F)cc2)CC1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)NC[*:1])c1ccccc1
O=C(NC1CCN(C(=O)NCc2ccc(F)cc2)CC1)c1ccccc1 Fc1ccc(cc1)C[*:1] O=C(NC1CCN(CC1)C(=O)N[*:1])c1ccccc1
O=C(NC1CCN(C(=O)NCc2ccc(F)cc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)N1CCC(CC1)NC(=O)[*:1]
CC(C)[NH+](CCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21)C(C)C CC(C)[*:1] CC(C)[NH+](CCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21)[*:1]
Cc1nc(Sc2nnnn2C)c2c(CC(C)C)csc2n1 CC(C)[*:1] Cc1nc(Sc2nnnn2C)c2c(csc2n1)C[*:1]
Cc1nc(Sc2nnnn2C)c2c(CC(C)C)csc2n1 Cn1nnnc1[*:1] Cc1nc(S[*:1])c2c(csc2n1)CC(C)C
Cc1nc(Sc2nnnn2C)c2c(CC(C)C)csc2n1 CC(C)C[*:1] Cc1nc(Sc2nnnn2C)c2c(csc2n1)[*:1]
Cc1nc(Sc2nnnn2C)c2c(CC(C)C)csc2n1 Cn1nnnc1S[*:1] Cc1nc(c2c(csc2n1)CC(C)C)[*:1]
Cc1cccc(N2CCN(C(=O)C3CN(c4nc5ccccc5s4)C3)CC2)c1 c1ccc2sc(nc2c1)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)C1CN(C1)[*:1]
Cc1cccc(N2CCN(C(=O)C3CN(c4nc5ccccc5s4)C3)CC2)c1 Cc1cccc(c1)[*:1] O=C(C1CN(C1)c1nc2ccccc2s1)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)[C@H](Sc2nncn2-c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@H](Sc2nncn2-c2ccccc2)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)[C@H](Sc2nncn2-c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 Cc1ccc(c(c1)[N+](=O)[O-])[*:1] O=C(N[*:1])[C@H](Sc1nncn1-c1ccccc1)c1ccccc1
Cc1ccc(NC(=O)[C@H](Sc2nncn2-c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)[C@H](Sc2nncn2-c2ccccc2)c2ccccc2)c(c1)[*:1]
Cc1ccc(NC(=O)[C@H](Sc2nncn2-c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@H](Sc2nncn2[*:1])c2ccccc2)c(c1)[N+](=O)[O-]
CSC[C@@](C)(O)CNC(=O)c1ccccc1C(C)=O CC(=O)[*:1] CSC[C@@](C)(O)CNC(=O)c1ccccc1[*:1]
CSC[C@@](C)(O)CNC(=O)c1ccccc1C(C)=O CSC[*:1] CC(=O)c1ccccc1C(=O)NC[C@@](C)(O)[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCC[NH+](Cc2cc(-c3ccco3)on2)CC1 c1coc(c1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCC[NH+](CC1)Cc1cc(on1)[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCC[NH+](Cc2cc(-c3ccco3)on2)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(N1CCC[NH+](CC1)Cc1cc(on1)-c1ccco1)[*:1]
C[C@H](CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)n1cncn1 c1ncn(n1)[*:1] C[C@H](CNS(=O)(=O)c1ccc2OCC(=O)Nc2c1)[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 Clc1ccc(c(Cl)c1)[*:1] C[C@H](O[*:1])C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 Clc1ccc(O[*:1])c(Cl)c1 C[C@H](C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)[*:1]
CN(CC(C)(C)O)C(=O)N1CCCC[C@H]1CC(=O)[O-] O=C([O-])C[*:1] CN(CC(C)(C)O)C(=O)N1CCCC[C@@H]1[*:1]
CN(CC(C)(C)O)C(=O)N1CCCC[C@H]1CC(=O)[O-] O=C([O-])[*:1] CN(CC(C)(C)O)C(=O)N1CCCC[C@H]1C[*:1]
CN(CC(C)(C)O)C(=O)N1CCCC[C@H]1CC(=O)[O-] CC(C)(O)C[*:1] CN(C(=O)N1CCCC[C@H]1CC(=O)[O-])[*:1]
CN(CC(C)(C)O)C(=O)N1CCCC[C@H]1CC(=O)[O-] CC(C)(O)[*:1] CN(C[*:1])C(=O)N1CCCC[C@H]1CC(=O)[O-]
CS(=O)(=O)NCCCSc1nc2ncc(Cl)cc2[n-]1 CS(=O)(=O)NC[*:1] Clc1cnc2nc([n-]c2c1)SCC[*:1]
CS(=O)(=O)NCCCSc1nc2ncc(Cl)cc2[n-]1 CS(=O)(=O)N[*:1] Clc1cnc2nc([n-]c2c1)SCCC[*:1]
COc1cc(C)c(C(=O)Nc2ccc(NC(C)=O)cc2Cl)cc1OC CC(=O)N[*:1] COc1cc(C)c(cc1OC)C(=O)Nc1ccc(cc1Cl)[*:1]
CCOC[C@@H]([NH2+]C)C1CCCCCC1 CCO[*:1] C[NH2+][C@H](C[*:1])C1CCCCCC1
CCOC[C@@H]([NH2+]C)C1CCCCCC1 CCOC[*:1] C[NH2+][C@@H](C1CCCCCC1)[*:1]
Cc1ccc(-c2nc(SCC(=O)N3CCCc4ccccc43)nc([O-])c2C#N)cc1 Cc1ccc(cc1)[*:1] N#Cc1c([O-])nc(nc1[*:1])SCC(=O)N1CCCc2ccccc21
C[C@H]1CN(CCC(=O)NNC(=O)C2CC2)C[C@@H](C)O1 C1CC1[*:1] C[C@H]1CN(CCC(=O)NNC(=O)[*:1])C[C@@H](C)O1
Cc1ccc2nc([C@@H](C)Cl)n(C[C@H]3CCOC3)c2c1 C1C[C@@H](CO1)C[*:1] Cc1ccc2nc([C@@H](C)Cl)n(c2c1)[*:1]
Cc1ccc2nc([C@@H](C)Cl)n(C[C@H]3CCOC3)c2c1 C1C[C@@H](CO1)[*:1] Cc1ccc2nc([C@@H](C)Cl)n(C[*:1])c2c1
Cc1ccc2nc([C@@H](C)Cl)n(C[C@H]3CCOC3)c2c1 C[C@@H](Cl)[*:1] Cc1ccc2nc(n(C[C@H]3CCOC3)c2c1)[*:1]
COc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ccc1OC(C)C CS(=O)(=O)[*:1] COc1cc(ccc1OC(C)C)C(=O)Nc1nc2ccc(cc2s1)[*:1]
COc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O
COc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O
COc1cc(C)c(NC(=O)C(=O)NC2CCCC2)cc1OC C1CCC(C1)[*:1] COc1cc(C)c(cc1OC)NC(=O)C(=O)N[*:1]
COc1ccccc1NCC(=O)N/N=C/c1ccncc1 c1cc(ccn1)[*:1] COc1ccccc1NCC(=O)NN=C[*:1]
COC(=O)N/N=C(\c1ccccc1)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)N/N=C(/[C@H](O)c1ccccc1)[*:1]
COC(=O)N/N=C(\c1ccccc1)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)N/N=C(\c1ccccc1)[C@H](O)[*:1]
COc1cc([N+](=O)[O-])ccc1Oc1nc(C2CC2)ns1 O=[N+]([O-])[*:1] COc1cc(ccc1Oc1nc(ns1)C1CC1)[*:1]
COc1cc([N+](=O)[O-])ccc1Oc1nc(C2CC2)ns1 C1CC1[*:1] COc1cc(ccc1Oc1nc(ns1)[*:1])[N+](=O)[O-]
C[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1nc(CN2CCOCC2)nc2sc3CCCc3c12)[*:1]
C[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1ccccc1 C[C@H](N[*:1])c1ccccc1 C1Cc2sc3nc(CN4CCOCC4)nc(c3c2C1)[*:1]
C[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1ccccc1 C[C@H](c1ccccc1)[*:1] C1Cc2sc3nc(CN4CCOCC4)nc(N[*:1])c3c2C1
C[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1ccccc1 C1CN(CCO1)C[*:1] C[C@H](Nc1nc(nc2sc3CCCc3c12)[*:1])c1ccccc1
C[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1ccccc1 C1CN(CCO1)[*:1] C[C@H](Nc1nc(C[*:1])nc2sc3CCCc3c12)c1ccccc1
CCCc1cc(NCc2ccc(F)c(Cl)c2)n(C)n1 CCC[*:1] Cn1nc(cc1NCc1ccc(F)c(Cl)c1)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2sccc2C(=O)NC2CC2)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)Nc1sccc1C(=O)NC1CC1)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2sccc2C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] COc1ccc(c(c1)C(=O)Nc1sccc1[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2sccc2C(=O)NC2CC2)c1 C1CC1[*:1] COc1ccc(c(c1)C(=O)Nc1sccc1C(=O)N[*:1])[N+](=O)[O-]
O=c1cccc2n1[C@H]1C[C@@H](C2)CN(C(=S)Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=c1cccc2C[C@@H]3C[C@@H](CN(C3)C(=S)N[*:1])n21
CCN1CCO[C@H](c2nc(C)c(C(=O)[O-])s2)C1 O=C([O-])[*:1] CCN1CCO[C@@H](C1)c1nc(C)c(s1)[*:1]
N#Cc1ccc(-c2ccc(OCc3nnnn3-c3ccc(OC(F)F)cc3)cc2)cc1 N#Cc1ccc(cc1)[*:1] FC(F)Oc1ccc(cc1)-n1nnnc1COc1ccc(cc1)[*:1]
N#Cc1ccc(-c2ccc(OCc3nnnn3-c3ccc(OC(F)F)cc3)cc2)cc1 FC(F)[*:1] N#Cc1ccc(cc1)-c1ccc(cc1)OCc1nnnn1-c1ccc(cc1)O[*:1]
N#Cc1ccc(-c2ccc(OCc3nnnn3-c3ccc(OC(F)F)cc3)cc2)cc1 FC(F)Oc1ccc(cc1)[*:1] N#Cc1ccc(cc1)-c1ccc(cc1)OCc1nnnn1[*:1]
N#Cc1ccc(-c2ccc(OCc3nnnn3-c3ccc(OC(F)F)cc3)cc2)cc1 FC(F)O[*:1] N#Cc1ccc(cc1)-c1ccc(cc1)OCc1nnnn1-c1ccc(cc1)[*:1]
CC1(C)CC[NH+](CC[C@H]2CCC[C@]2([NH3+])C(=O)[O-])CC1 O=C([O-])[*:1] CC1(C)CC[NH+](CC[C@H]2CCC[C@@]2([NH3+])[*:1])CC1
Cc1cccc2c1N=CN1C2=NNC(=O)[C@@H]1CC(=O)[O-] O=C([O-])C[*:1] Cc1cccc2C3=NNC(=O)[C@H](N3C=Nc12)[*:1]
Cc1cccc2c1N=CN1C2=NNC(=O)[C@@H]1CC(=O)[O-] O=C([O-])[*:1] Cc1cccc2C3=NNC(=O)[C@H](C[*:1])N3C=Nc12
O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(cc1)[*:1]
CC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3cn(C)nc3C)c(=O)n12 Cc1nn(C)cc1[*:1] CC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1sc(=C[*:1])c(=O)n12
CC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3cn(C)nc3C)c(=O)n12 CC(=O)[*:1] Cc1nn(C)cc1/C=c1/sc2=N[C@]3(C)Oc4ccccc4[C@@H]([C@H]3[*:1])n2c1=O
COC(=O)N1CC[C@H](N[C@H](Cc2ccncc2)C(F)(F)F)C1 c1cc(ccn1)[*:1] COC(=O)N1CC[C@@H](C1)N[C@H](C[*:1])C(F)(F)F
COC(=O)N1CC[C@H](N[C@H](Cc2ccncc2)C(F)(F)F)C1 c1cc(ccn1)C[*:1] COC(=O)N1CC[C@@H](C1)N[C@H](C(F)(F)F)[*:1]
COC(=O)N1CC[C@H](N[C@H](Cc2ccncc2)C(F)(F)F)C1 FC(F)(F)[*:1] COC(=O)N1CC[C@@H](C1)N[C@H](Cc1ccncc1)[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC Cc1ccc(cc1)[*:1] COc1cccc(c1OC)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1cc(C)on1
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC COc1cccc(c1OC)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2cc(C)on2)[C@@H]1[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC Cc1cc(no1)[*:1] COc1cccc(c1OC)[C@@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC Cc1ccc(cc1)C(=O)[*:1] COc1cccc(c1OC)[C@@H]1C(=C([O-])C(=O)N1c1cc(C)on1)[*:1]
CN(CCc1cccc2ccccc12)C(=O)[C@H]1CSCN1C(=O)C(C)(C)C CC(C)(C)[*:1] CN(CCc1cccc2ccccc12)C(=O)[C@H]1CSCN1C(=O)[*:1]
CCC(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)CCC(C)C CC(C)C[*:1] CCC(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)C[*:1]
CCC(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)CCC(C)C CC(C)[*:1] CCC(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)CC[*:1]
CCC(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)CCC(C)C CC(C)CC[*:1] CCC(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)[*:1]
CC(C)CSc1nnnn1-c1ccccc1 CC(C)CS[*:1] c1ccc(cc1)-n1nnnc1[*:1]
CC(C)CSc1nnnn1-c1ccccc1 CC(C)[*:1] c1ccc(cc1)-n1nnnc1SC[*:1]
CC(C)CSc1nnnn1-c1ccccc1 CC(C)C[*:1] c1ccc(cc1)-n1nnnc1S[*:1]
CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)c3ccc(=O)n(C)n3)cc2F)cc1 CC(C)[*:1] C[C@H](c1ccc(Sc2ccc(cc2)[*:1])c(F)c1)N(C)C(=O)c1ccc(=O)n(C)n1
CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)c3ccc(=O)n(C)n3)cc2F)cc1 CC(C)c1ccc(cc1)S[*:1] C[C@H](c1ccc(c(F)c1)[*:1])N(C)C(=O)c1ccc(=O)n(C)n1
CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)c3ccc(=O)n(C)n3)cc2F)cc1 CC(C)c1ccc(cc1)[*:1] C[C@H](c1ccc(S[*:1])c(F)c1)N(C)C(=O)c1ccc(=O)n(C)n1
CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)c3ccc(=O)n(C)n3)cc2F)cc1 Cn1nc(ccc1=O)[*:1] CC(C)c1ccc(cc1)Sc1ccc(cc1F)[C@@H](C)N(C)C(=O)[*:1]
CC(C)(C)c1cnc(S[C@@H]2CCCC[C@H]2O)o1 CC(C)(C)[*:1] O[C@@H]1CCCC[C@H]1Sc1ncc(o1)[*:1]
CC(C)NC(=O)[C@H](C)Oc1ccc(C[NH2+]C2CC2)cc1 CC(C)NC(=O)[*:1] C[C@H](Oc1ccc(cc1)C[NH2+]C1CC1)[*:1]
CC(C)NC(=O)[C@H](C)Oc1ccc(C[NH2+]C2CC2)cc1 CC(C)[*:1] C[C@H](Oc1ccc(cc1)C[NH2+]C1CC1)C(=O)N[*:1]
CCn1c([C@H](C)NCCc2cnn(C)c2C)nc2ccccc21 Cc1c(cnn1C)[*:1] CCn1c(nc2ccccc21)[C@H](C)NCC[*:1]
COc1ccc(O[C@H](C)C(=O)N2N=C(C)C[C@@]2(O)C(F)F)cc1 FC(F)[*:1] COc1ccc(cc1)O[C@H](C)C(=O)N1N=C(C)C[C@]1(O)[*:1]
O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2cccs2)oc1N1CCCC1 C1CCN(C1)[*:1] O=S(=O)(c1ccc(Cl)cc1)c1nc(oc1[*:1])-c1cccs1
O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2cccs2)oc1N1CCCC1 Clc1ccc(cc1)[*:1] O=S(=O)(c1nc(oc1N1CCCC1)-c1cccs1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2cccs2)oc1N1CCCC1 c1csc(c1)[*:1] O=S(=O)(c1ccc(Cl)cc1)c1nc(oc1N1CCCC1)[*:1]
Cc1ccc(/C([O-])=C/C2=NC(=S)N(c3ccccc3C)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1N1C(=O)C(/C=C(\[O-])[*:1])=NC1=S
Cc1ccc(/C([O-])=C/C2=NC(=S)N(c3ccccc3C)C2=O)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)/C([O-])=C/C1=NC(=S)N(C1=O)[*:1]
COc1cc(-c2nc([C@@H]([NH3+])c3ccccc3)n[nH]2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-c1nc(n[nH]1)[C@@H]([NH3+])[*:1]
CSCc1nnc(SCCCc2ccc(Cl)cc2)o1 CSC[*:1] Clc1ccc(cc1)CCCSc1nnc(o1)[*:1]
O=C1NC[C@@H]2CN(CCCSCc3ccccc3)CCN12 c1ccc(cc1)[*:1] O=C1NC[C@@H]2CN(CCCSC[*:1])CCN12
O=C1NC[C@@H]2CN(CCCSCc3ccccc3)CCN12 c1ccc(cc1)C[*:1] O=C1NC[C@@H]2CN(CCCS[*:1])CCN12
CN(C(=O)COc1ccc2oc3ccccc3c2c1)c1nccs1 c1csc(n1)[*:1] CN(C(=O)COc1ccc2oc3ccccc3c2c1)[*:1]
C[NH+](Cc1cc[nH]c1)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[NH+](Cc1cc[nH]c1)Cc1cccc(c1)[*:1]
C[NH+](Cc1cc[nH]c1)Cc1cccc(C(F)(F)F)c1 c1cc(c[nH]1)[*:1] C[NH+](Cc1cccc(c1)C(F)(F)F)C[*:1]
CC(=O)Nc1cccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCN3C(C)=O)c1 CC(=O)N[*:1] CC(=O)N1CCc2cc(ccc21)N[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
O=C(CCC(F)(F)F)NCC1CCN(C(=O)C(F)(F)F)CC1 FC(F)(F)CC[*:1] O=C(N1CCC(CC1)CNC(=O)[*:1])C(F)(F)F
O=C(CCC(F)(F)F)NCC1CCN(C(=O)C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(CC[*:1])NCC1CCN(CC1)C(=O)C(F)(F)F
O=C(CCC(F)(F)F)NCC1CCN(C(=O)C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(CCC(F)(F)F)NCC1CCN(CC1)C(=O)[*:1]
O=C(CCC(F)(F)F)NCC1CCN(C(=O)C(F)(F)F)CC1 FC(F)(F)C[*:1] O=C(C[*:1])NCC1CCN(CC1)C(=O)C(F)(F)F
CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)SC2CCCC2)cc1 C1CCC(C1)S[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)[C@@H](C)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)SC2CCCC2)cc1 C1CCC(C1)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)[C@@H](C)S[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)SC2CCCC2)cc1 CCN(CC)C(=O)[*:1] C[C@@H](SC1CCCC1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)[C@H]3SC4=NC(=O)S[C@@H]4[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 CCOc1ccc(cc1)[*:1] O=C1N=C2S[C@@H]3C(=O)N(C(=O)[C@@H]3[C@H](c3cccc(c3)[N+](=O)[O-])[C@H]2S1)[*:1]
CCOc1ccc(N2C(=O)[C@H]3SC4=NC(=O)S[C@@H]4[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)N1C(=O)[C@H]2SC3=NC(=O)S[C@@H]3[C@@H](c3cccc(c3)[*:1])[C@H]2C1=O
CCOc1ccc(N2C(=O)[C@H]3SC4=NC(=O)S[C@@H]4[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 CCO[*:1] O=C1N=C2S[C@@H]3C(=O)N(C(=O)[C@@H]3[C@H](c3cccc(c3)[N+](=O)[O-])[C@H]2S1)c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)[C@H]3SC4=NC(=O)S[C@@H]4[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CCOc1ccc(cc1)N1C(=O)[C@H]2SC3=NC(=O)S[C@@H]3[C@@H]([C@H]2C1=O)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccccc2F)C1 Fc1ccccc1[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)NC[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccccc2F)C1 CC(=O)N[*:1] O=C(NCc1ccccc1F)N1CCC[C@H](C1)[*:1]
CCS[C@H]1CC[C@@]1([O-])CNC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] CCS[C@H]1CC[C@@]1([O-])CNC(=O)c1ccnc(c1)O[*:1]
CCS[C@H]1CC[C@@]1([O-])CNC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] CCS[C@H]1CC[C@@]1([O-])CNC(=O)c1ccnc(c1)[*:1]
CCS[C@H]1CC[C@@]1([O-])CNC(=O)c1ccnc(OC2CCCCC2)c1 CCS[*:1] O=C(NC[C@]1([O-])CC[C@@H]1[*:1])c1ccnc(c1)OC1CCCCC1
CCc1cc(C[C@]2(CC(C)C)CCC[NH2+]2)n(CC)n1 CC(C)C[*:1] CCc1cc(C[C@@]2(CCC[NH2+]2)[*:1])n(CC)n1
CCc1cc(C[C@]2(CC(C)C)CCC[NH2+]2)n(CC)n1 CC(C)[*:1] CCc1cc(C[C@@]2(CCC[NH2+]2)C[*:1])n(CC)n1
CC(C)([NH3+])CC12CC3CC(CC(C3)C1)C2 CC(C)([NH3+])[*:1] C1C2CC3CC1CC(C2)(C3)C[*:1]
CC(C)([NH3+])CC12CC3CC(CC(C3)C1)C2 CC(C)([NH3+])C[*:1] C1C2CC3CC1CC(C2)(C3)[*:1]
O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(C[C@H]1Cn2ncnc2NC1=O)N[*:1]
CC(C)(C)[NH2+]Cc1c[nH]nc1-c1ccc(F)c(Cl)c1 CC(C)(C)[*:1] Fc1ccc(cc1Cl)-c1n[nH]cc1C[NH2+][*:1]
COc1cccc(N2C[C@@H](C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2=O)c1 O=C(N[*:1])C1CC1 COc1cccc(c1)N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
COc1cccc(N2C[C@@H](C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2=O)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1])C1CC1
COc1cccc(N2C[C@@H](C(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2=O)c1 C1CC1[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccncc1 c1cc(ccn1)[*:1] CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccncc1 CC(C)[*:1] C[C@@H]1CC[C@H]([C@@H](C1)NC(=O)c1ccncc1)[*:1]
[NH3+]C[C@@H](c1cc(Cl)cs1)N(Cc1cccs1)C1CC1 c1csc(c1)C[*:1] [NH3+]C[C@@H](c1cc(Cl)cs1)N(C1CC1)[*:1]
[NH3+]C[C@@H](c1cc(Cl)cs1)N(Cc1cccs1)C1CC1 c1csc(c1)[*:1] [NH3+]C[C@@H](c1cc(Cl)cs1)N(C[*:1])C1CC1
[NH3+]C[C@@H](c1cc(Cl)cs1)N(Cc1cccs1)C1CC1 C1CC1[*:1] [NH3+]C[C@@H](c1cc(Cl)cs1)N(Cc1cccs1)[*:1]
[NH3+]C[C@@H](c1cc(Cl)cs1)N(Cc1cccs1)C1CC1 Clc1csc(c1)[*:1] [NH3+]C[C@@H](N(Cc1cccs1)C1CC1)[*:1]
COc1ccc([C@@H](C#N)N2CCN(C(=O)[C@H](C)SC)CC2)cc1 CS[C@@H](C)[*:1] COc1ccc(cc1)[C@@H](C#N)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCCCC4)cnc32)c1 O=C(N1CCCCC1)[*:1] Cc1cc(C)cc(c1)-n1ncc2c(=O)n(cnc21)C[*:1]
Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCCCC4)cnc32)c1 Cc1cc(C)cc(c1)[*:1] O=C(Cn1cnc2c(cnn2[*:1])c1=O)N1CCCCC1
Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N4CCCCC4)cnc32)c1 O=C(C[*:1])N1CCCCC1 Cc1cc(C)cc(c1)-n1ncc2c(=O)n(cnc21)[*:1]
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2cccnc2-n2ccnc2)cc1 c1cn(cn1)[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)NCc1cccnc1[*:1]
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2cccnc2-n2ccnc2)cc1 c1cnc(c(c1)[*:1])-n1ccnc1 Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)NC[*:1]
CCCCNS(=O)(=O)N(C)C1CCCCC1 CCC[*:1] CN(C1CCCCC1)S(=O)(=O)NC[*:1]
CCCCNS(=O)(=O)N(C)C1CCCCC1 CCCC[*:1] CN(C1CCCCC1)S(=O)(=O)N[*:1]
CC[C@H](C)CN(CC)c1ccc(C[NH2+]C)nn1 CC[C@H](C)[*:1] CCN(C[*:1])c1ccc(C[NH2+]C)nn1
CC[C@H](C)CN(CC)c1ccc(C[NH2+]C)nn1 CC[C@H](C)C[*:1] CCN(c1ccc(C[NH2+]C)nn1)[*:1]
CC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@H]1c1ccco1 c1coc(c1)[*:1] CC(=O)C1=C(C)Oc2ncn3nc(nc3c2[C@@H]1[*:1])-c1cccnc1
CC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@H]1c1ccco1 CC(=O)[*:1] CC1Oc2ncn3nc(nc3c2[C@H](C=1[*:1])c1ccco1)-c1cccnc1
CC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@H]1c1ccco1 c1cncc(c1)[*:1] CC(=O)C1=C(C)Oc2ncn3nc(nc3c2[C@H]1c1ccco1)[*:1]
Nc1ccccc1C(=O)CCN1C(=O)c2ccccc2C1=O Nc1ccccc1[*:1] O=C1c2ccccc2C(=O)N1CCC(=O)[*:1]
Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCOc1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCOc1ccccc1[*:1]
Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCOc1ccccc1C(F)(F)F Cc1nn(C)c(C)c1[*:1] C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)N2CCC(OCC(C)C)CC2)c1 CC(C)C[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)N1CCC(CC1)O[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)N2CCC(OCC(C)C)CC2)c1 CC(C)[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)N1CCC(CC1)OC[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)N2CCC(OCC(C)C)CC2)c1 CC(C)CO[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)N1CCC(CC1)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)N2CCC(OCC(C)C)CC2)c1 CCN(CC)C(=O)[*:1] CC(C)COC1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)c(O)c(C(=O)Nc2ccnn2C(C)C)c1 CC(C)[*:1] Cc1cc(C)c(O)c(c1)C(=O)Nc1ccnn1[*:1]
CCOC(=O)/C=C/CN1C(=O)Cc2cc([N+](=O)[O-])ccc21 CCOC(=O)[*:1] O=C1Cc2cc(ccc2N1CC=C[*:1])[N+](=O)[O-]
CCOC(=O)/C=C/CN1C(=O)Cc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CCOC(=O)/C=C/CN1C(=O)Cc2cc(ccc21)[*:1]
CCOC(=O)/C=C/CN1C(=O)Cc2cc([N+](=O)[O-])ccc21 CCOC(=O)C=C[*:1] O=C1Cc2cc(ccc2N1C[*:1])[N+](=O)[O-]
Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
Cc1nc(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)n(C2CCCC2)c1C C1CCC(C1)[*:1] Cc1nc(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)n(c1C)[*:1]
Cc1nc(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)n(C2CCCC2)c1C C1CCC(CC1)[*:1] Cc1nc(S[C@H](C)C(=O)NC(=O)N[*:1])n(c1C)C1CCCC1
CCc1ccc([C@@H](C)C(=O)N(CC)CC(C)(C)O)cc1 CC(C)(O)C[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)N(CC)[*:1]
CCc1ccc([C@@H](C)C(=O)N(CC)CC(C)(C)O)cc1 CC(C)(O)[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)N(CC)C[*:1]
C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(C)c(C)c1 Brc1ccc(cc1)[*:1] C/C(=N\NC(=O)C[*:1])c1ccc(C)c(C)c1
Cc1cc([C@H](O)c2cccc(OC(C)C)c2)c(F)cc1F CC(C)O[*:1] Cc1cc(c(F)cc1F)[C@H](O)c1cccc(c1)[*:1]
Cc1cc([C@H](O)c2cccc(OC(C)C)c2)c(F)cc1F CC(C)[*:1] Cc1cc(c(F)cc1F)[C@H](O)c1cccc(c1)O[*:1]
Cc1cccc2c(CCNC(=O)NC[C@@H](O)c3ccco3)c[nH]c12 c1coc(c1)[*:1] Cc1cccc2c(c[nH]c12)CCNC(=O)NC[C@@H](O)[*:1]
CCCOC[C@@H]([NH3+])[C@H]1COCCO1 CCCO[*:1] [NH3+][C@H](C[*:1])[C@H]1COCCO1
CCCOC[C@@H]([NH3+])[C@H]1COCCO1 CCC[*:1] [NH3+][C@H](CO[*:1])[C@H]1COCCO1
COc1ccc([C@@H]2[C@H]3C(=O)C[C@H](c4cccs4)CC3=Nc3ncnn32)cc1 c1csc(c1)[*:1] COc1ccc(cc1)[C@@H]1[C@H]2C(=O)C[C@H](CC2=Nc2ncnn21)[*:1]
COc1ccc([C@@H]2[C@H]3C(=O)C[C@H](c4cccs4)CC3=Nc3ncnn32)cc1 COc1ccc(cc1)[*:1] O=C1C[C@@H](CC2=Nc3ncnn3[C@@H]([C@@H]12)[*:1])c1cccs1
O=C(NCc1cc(Cl)ccn1)Nc1cc([N+](=O)[O-])ccc1OC(F)F O=[N+]([O-])[*:1] O=C(NCc1cc(Cl)ccn1)Nc1cc(ccc1OC(F)F)[*:1]
O=C(NCc1cc(Cl)ccn1)Nc1cc([N+](=O)[O-])ccc1OC(F)F Clc1ccnc(c1)C[*:1] O=C(Nc1cc(ccc1OC(F)F)[N+](=O)[O-])N[*:1]
O=C(NCc1cc(Cl)ccn1)Nc1cc([N+](=O)[O-])ccc1OC(F)F FC(F)[*:1] O=C(NCc1cc(Cl)ccn1)Nc1cc(ccc1O[*:1])[N+](=O)[O-]
O=C(NCc1cc(Cl)ccn1)Nc1cc([N+](=O)[O-])ccc1OC(F)F Clc1ccnc(c1)[*:1] O=C(NC[*:1])Nc1cc(ccc1OC(F)F)[N+](=O)[O-]
O=C(NCc1cc(Cl)ccn1)Nc1cc([N+](=O)[O-])ccc1OC(F)F FC(F)O[*:1] O=C(NCc1cc(Cl)ccn1)Nc1cc(ccc1[*:1])[N+](=O)[O-]
O=C(CSc1ccc(C(F)(F)F)cn1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 FC(F)(F)c1ccc(nc1)[*:1] O=C(CS[*:1])N1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1
O=C(CSc1ccc(C(F)(F)F)cn1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 FC(F)(F)[*:1] O=C(CSc1ccc(cn1)[*:1])N1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1
COc1ncccc1CNC(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] COc1ncccc1CNC(=O)Nc1ccc(cc1)[*:1]
COc1ncccc1CNC(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] COc1ncccc1CNC(=O)Nc1ccc(cc1)OC[*:1]
COc1ncccc1CNC(=O)Nc1ccc(OCC(F)(F)F)cc1 COc1ncccc1[*:1] O=C(NC[*:1])Nc1ccc(cc1)OCC(F)(F)F
COc1ncccc1CNC(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] COc1ncccc1CNC(=O)Nc1ccc(cc1)O[*:1]
C[C@H](CCO)CNC(=O)NCc1ccc(O)c(F)c1 OCC[*:1] C[C@H](CNC(=O)NCc1ccc(O)c(F)c1)[*:1]
C[C@H](CCO)CNC(=O)NCc1ccc(O)c(F)c1 C[C@H](CCO)C[*:1] O=C(NCc1ccc(O)c(F)c1)N[*:1]
C[C@H](CCO)CNC(=O)NCc1ccc(O)c(F)c1 C[C@H](CCO)[*:1] O=C(NCc1ccc(O)c(F)c1)NC[*:1]
COc1c(Cl)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl Clc1ccc(cc1)[*:1] COc1c(Cl)cc(/C=C2/NC(=O)N(C2=O)[*:1])cc1Cl
Cc1ccc(-c2cncnc2[C@H]2CCCN(C(=O)c3cc(F)c(F)cc3F)C2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc(F)c(F)cc1F)N1CCC[C@@H](C1)c1ncncc1[*:1]
Cc1ccc(-c2cncnc2[C@H]2CCCN(C(=O)c3cc(F)c(F)cc3F)C2)cc1 Fc1cc(F)c(cc1F)[*:1] Cc1ccc(cc1)-c1cncnc1[C@H]1CCCN(C1)C(=O)[*:1]
[NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccc(o1)[*:1]
CC(C)n1ccc(CCNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 O=C(NC1CC1)[*:1] CC(C)n1ccc(CCNC(=O)N2CCN(CC2)[C@@H](C)[*:1])n1
CC(C)n1ccc(CCNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 CC(C)[*:1] C[C@@H](C(=O)NC1CC1)N1CCN(CC1)C(=O)NCCc1ccn(n1)[*:1]
CC(C)n1ccc(CCNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 C[C@@H](C(=O)NC1CC1)[*:1] CC(C)n1ccc(CCNC(=O)N2CCN(CC2)[*:1])n1
CC(C)n1ccc(CCNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 C1CC1[*:1] CC(C)n1ccc(CCNC(=O)N2CCN(CC2)[C@@H](C)C(=O)N[*:1])n1
CC(C)n1ccc(CCNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 CC(C)n1ccc(C[*:1])n1 C[C@@H](C(=O)NC1CC1)N1CCN(CC1)C(=O)NC[*:1]
CC(C)n1ccc(CCNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 CC(C)n1ccc(n1)[*:1] C[C@@H](C(=O)NC1CC1)N1CCN(CC1)C(=O)NCC[*:1]
C#CCN(CC(=O)N(C)Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 Fc1cccc(Cl)c1[*:1] C#CCN(CC(=O)N(C)C[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(CC(=O)N(C)Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] CN(Cc1c(F)cccc1Cl)C(=O)CN([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(NCc1nnc2ccccn12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 c1ccn2c(nnc2c1)[*:1] O=C(NC[*:1])c1cc(cc(c1)C(F)(F)F)C(F)(F)F
O=C(NCc1nnc2ccccn12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCc1nnc2ccccn12)c1cc(cc(c1)[*:1])C(F)(F)F
C[NH2+][C@@H](C)c1ccc(O[C@@H](C)C(=O)N(C)C)c(OC)c1 CN(C)C(=O)[*:1] C[NH2+][C@@H](C)c1ccc(O[C@@H](C)[*:1])c(c1)OC
Cc1cccn(Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)c1=O Cc1cccn(c1=O)[*:1] c1cc(ccc1-c1noc(C[*:1])n1)N1CCCCC1
Cc1cccn(Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)c1=O C1CCN(CC1)[*:1] Cc1cccn(Cc2nc(no2)-c2ccc(cc2)[*:1])c1=O
C[C@@]1(c2ccc(F)cc2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O c1ccc2cc(ccc2c1)[*:1] C[C@]1(NC(=O)N(CN2CCN(CC2)S(=O)(=O)[*:1])C1=O)c1ccc(F)cc1
C[C@@]1(c2ccc(F)cc2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O Fc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CN2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)C1=O)[*:1]
C[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc(C2CC2)c1Cl C[C@@H]1CCC[C@@H]1[*:1] O=C(N[*:1])c1[nH]nc(c1Cl)C1CC1
C[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] C[C@@H]1CCC[C@H]1NC(=O)c1[nH]nc(c1Cl)[*:1]
CC(C)OCCCNC(=O)N(C)C[C@@H](C)O CC(C)O[*:1] C[C@@H](O)CN(C)C(=O)NCCC[*:1]
CC(C)OCCCNC(=O)N(C)C[C@@H](C)O CC(C)OC[*:1] C[C@@H](O)CN(C)C(=O)NCC[*:1]
CC(C)OCCCNC(=O)N(C)C[C@@H](C)O C[C@@H](O)C[*:1] CC(C)OCCCNC(=O)N(C)[*:1]
CC(C)OCCCNC(=O)N(C)C[C@@H](C)O C[C@@H](O)[*:1] CC(C)OCCCNC(=O)N(C)C[*:1]
CC(C)OCCCNC(=O)N(C)C[C@@H](C)O CC(C)[*:1] C[C@@H](O)CN(C)C(=O)NCCCO[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@H](C)O)c1 COc1cccc(c1)[*:1] C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@H](C)O)c1 C[C@H](O)C[*:1] COc1cccc(c1)[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@H](C)O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1C(C(=O)[*:1])=C(O)C(=O)N1C[C@H](C)O
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@H](C)O)c1 O=C(c1ccccc1)[*:1] COc1cccc(c1)[C@@H]1C(=C(O)C(=O)N1C[C@H](C)O)[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@H](C)O)c1 C[C@H](O)[*:1] COc1cccc(c1)[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1C[*:1]
O=C(NCCc1ccccc1F)C(=O)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(NCCc1ccccc1F)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCCc1ccccc1F)C(=O)Nc1ccc(OC(F)F)cc1 Fc1ccccc1C[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)OC(F)F
O=C(NCCc1ccccc1F)C(=O)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(NCCc1ccccc1F)C(=O)Nc1ccc(cc1)O[*:1]
O=C(NCCc1ccccc1F)C(=O)Nc1ccc(OC(F)F)cc1 Fc1ccccc1[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(cc1)OC(F)F
COc1ccc(C2=NN(C(=O)COC(=O)c3c(C)noc3N)[C@@H](c3ccco3)C2)cc1 COc1ccc(cc1)[*:1] Cc1noc(N)c1C(=O)OCC(=O)N1N=C(C[C@@H]1c1ccco1)[*:1]
COc1ccc(C2=NN(C(=O)COC(=O)c3c(C)noc3N)[C@@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C1C[C@H](N(N=1)C(=O)COC(=O)c1c(C)noc1N)[*:1]
COc1ccc(C2=NN(C(=O)COC(=O)c3c(C)noc3N)[C@@H](c3ccco3)C2)cc1 Cc1noc(N)c1C(=O)O[*:1] COc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)C[*:1]
COc1ccc(C2=NN(C(=O)COC(=O)c3c(C)noc3N)[C@@H](c3ccco3)C2)cc1 Cc1noc(N)c1[*:1] COc1ccc(cc1)C1C[C@H](c2ccco2)N(N=1)C(=O)COC(=O)[*:1]
CCCN1C(=O)CC[C@H]2CN(C(=O)CCc3ccc(=O)[nH]n3)CC[C@H]21 O=c1ccc(n[nH]1)[*:1] CCCN1C(=O)CC[C@H]2CN(CC[C@H]21)C(=O)CC[*:1]
CCCN1C(=O)CC[C@H]2CN(C(=O)CCc3ccc(=O)[nH]n3)CC[C@H]21 CCC[*:1] O=C(CCc1ccc(=O)[nH]n1)N1CC[C@@H]2[C@@H](CCC(=O)N2[*:1])C1
CCCN1C(=O)CC[C@H]2CN(C(=O)CCc3ccc(=O)[nH]n3)CC[C@H]21 O=c1ccc(C[*:1])n[nH]1 CCCN1C(=O)CC[C@H]2CN(CC[C@H]21)C(=O)C[*:1]
C[C@@H](Oc1ccccc1C(=O)N1CCCCC1)C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1C(=O)N1CCCCC1)C(=O)NCC[*:1]
C[C@@H](Oc1ccccc1C(=O)N1CCCCC1)C(=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] C[C@@H](Oc1ccccc1C(=O)N1CCCCC1)C(=O)N[*:1]
C[C@@H](Oc1ccccc1C(=O)N1CCCCC1)C(=O)NCCc1ccccc1 O=C(N1CCCCC1)[*:1] C[C@@H](Oc1ccccc1[*:1])C(=O)NCCc1ccccc1
C[C@@H](Oc1ccccc1C(=O)N1CCCCC1)C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Oc1ccccc1C(=O)N1CCCCC1)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1nnc2CCCCCn21)[C@@H]1CCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 C1CCc2nnc(n2CC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)c1cccc(N2CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N3C2)c1 Fc1ccc(cc1)[*:1] CCOC(=O)c1cccc(c1)N1CSC2=C(C#N)[C@@H](CC(=O)N2C1)[*:1]
CCOC(=O)c1cccc(N2CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N3C2)c1 CCOC(=O)[*:1] N#CC1=C2SCN(CN2C(=O)C[C@@H]1c1ccc(F)cc1)c1cccc(c1)[*:1]
C[C@H]1CN(C[C@@H]2CN(C(=O)CCCc3cn[nH]c3)C[C@@H]2CO)C[C@@H](C)O1 c1n[nH]cc1[*:1] C[C@H]1CN(C[C@@H](C)O1)C[C@@H]1CN(C[C@@H]1CO)C(=O)CCC[*:1]
C[C@H]1CN(C[C@@H]2CN(C(=O)CCCc3cn[nH]c3)C[C@@H]2CO)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)[*:1] O=C(CCCc1cn[nH]c1)N1C[C@H](CO)[C@@H](C1)C[*:1]
C[C@H]1CN(C[C@@H]2CN(C(=O)CCCc3cn[nH]c3)C[C@@H]2CO)C[C@@H](C)O1 c1n[nH]cc1CC[*:1] C[C@H]1CN(C[C@@H](C)O1)C[C@@H]1CN(C[C@@H]1CO)C(=O)C[*:1]
C[C@H]1CN(C[C@@H]2CN(C(=O)CCCc3cn[nH]c3)C[C@@H]2CO)C[C@@H](C)O1 c1n[nH]cc1C[*:1] C[C@H]1CN(C[C@@H](C)O1)C[C@@H]1CN(C[C@@H]1CO)C(=O)CC[*:1]
C[C@H]1CN(C[C@@H]2CN(C(=O)CCCc3cn[nH]c3)C[C@@H]2CO)C[C@@H](C)O1 c1n[nH]cc1CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)C[C@@H]1CN(C[C@@H]1CO)C(=O)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc3ccsc3c(=O)n2-c2cc(F)cc(F)c2)C1 CCOC(=O)[*:1] O=C(CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc3ccsc3c(=O)n2-c2cc(F)cc(F)c2)C1 Fc1cc(F)cc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)CSc1nc2ccsc2c(=O)n1[*:1]
COCCCNC(=O)[C@H](C)N1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 COCC[*:1] C[C@@H](C(=O)NC[*:1])N1CC[NH+](CC1)[C@@H]1CC[C@@H](C)C1
COCCCNC(=O)[C@H](C)N1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 COC[*:1] C[C@@H](C(=O)NCC[*:1])N1CC[NH+](CC1)[C@@H]1CC[C@@H](C)C1
COCCCNC(=O)[C@H](C)N1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 COCCC[*:1] C[C@@H](C(=O)N[*:1])N1CC[NH+](CC1)[C@@H]1CC[C@@H](C)C1
O=C(CC1=c2ccccc2=[NH+][C@H]1Sc1cccc(F)c1)NCC[NH+]1CCCC1 Fc1cccc(c1)S[*:1] O=C(CC1=c2ccccc2=[NH+][C@@H]1[*:1])NCC[NH+]1CCCC1
O=C(CC1=c2ccccc2=[NH+][C@H]1Sc1cccc(F)c1)NCC[NH+]1CCCC1 Fc1cccc(c1)[*:1] O=C(CC1=c2ccccc2=[NH+][C@H]1S[*:1])NCC[NH+]1CCCC1
Cc1c(C(=O)Nc2cccc(C(=O)N(C)C)c2)cnn1C CN(C)C(=O)[*:1] Cc1c(cnn1C)C(=O)Nc1cccc(c1)[*:1]
Cc1c(C(=O)Nc2cccc(C(=O)N(C)C)c2)cnn1C Cc1c(cnn1C)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)[*:1]
CC(=O)C1=C(C)C(C(=O)OCC(=O)Nc2cccc(F)c2)=N[C@@H]1C CC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)OCC(=O)Nc1cccc(F)c1
CC(=O)C1=C(C)C(C(=O)OCC(=O)Nc2cccc(F)c2)=N[C@@H]1C Fc1cccc(c1)[*:1] CC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)OCC(=O)N[*:1]
O=C([O-])c1ccc(OC[C@H]2C[C@H]3CC[C@@H]2C3)c(Cl)c1 O=C([O-])[*:1] Clc1cc(ccc1OC[C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
CCCn1c(CCC(=O)Nc2ccc(C)cn2)nc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CCCn1c(CCC(=O)Nc2ccc(C)cn2)nc2cc(ccc21)[*:1]
CCCn1c(CCC(=O)Nc2ccc(C)cn2)nc2cc(S(N)(=O)=O)ccc21 Cc1ccc(nc1)[*:1] CCCn1c(CCC(=O)N[*:1])nc2cc(ccc21)S(N)(=O)=O
CCCn1c(CCC(=O)Nc2ccc(C)cn2)nc2cc(S(N)(=O)=O)ccc21 CCC[*:1] Cc1ccc(nc1)NC(=O)CCc1nc2cc(ccc2n1[*:1])S(N)(=O)=O
CCN(C(=O)c1ccc(S(=O)(=O)NC)cc1)[C@H]1CCCC[C@H]1C CNS(=O)(=O)[*:1] CCN(C(=O)c1ccc(cc1)[*:1])[C@H]1CCCC[C@H]1C
CCCn1cc(NC(=O)N[C@H](C)CCc2ccccc2)nn1 c1ccc(cc1)[*:1] CCCn1cc(nn1)NC(=O)N[C@H](C)CC[*:1]
CCCn1cc(NC(=O)N[C@H](C)CCc2ccccc2)nn1 CCC[*:1] C[C@H](CCc1ccccc1)NC(=O)Nc1cn(nn1)[*:1]
CCCn1cc(NC(=O)N[C@H](C)CCc2ccccc2)nn1 c1ccc(cc1)C[*:1] CCCn1cc(nn1)NC(=O)N[C@H](C)C[*:1]
O=C(NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 FC(F)(F)[*:1] O=C(NNC(=O)[C@H]1CCC[C@H](C1)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NNC(=O)[C@H]1CCC[C@@H](C1)C(F)(F)F)c1cccc(c1)[*:1]
COC(=O)c1ccccc1NC(=O)c1nc(SC)ncc1Cl COC(=O)[*:1] CSc1ncc(Cl)c(n1)C(=O)Nc1ccccc1[*:1]
C[C@H](O)CCC(=O)N1CCn2cc[nH+]c2C1 C[C@H](O)C[*:1] O=C(C[*:1])N1CCn2cc[nH+]c2C1
C[C@H](O)CCC(=O)N1CCn2cc[nH+]c2C1 C[C@H](O)[*:1] O=C(CC[*:1])N1CCn2cc[nH+]c2C1
C[C@H](O)CCC(=O)N1CCn2cc[nH+]c2C1 C[C@H](O)CC[*:1] O=C(N1CCn2cc[nH+]c2C1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)c1cncn1-c1ccccc1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)c1cncn1-c1ccccc1
C[C@H](CCc1ccccc1)NC(=O)c1cncn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CCc1ccccc1)NC(=O)c1cncn1[*:1]
C[C@H](CCc1ccccc1)NC(=O)c1cncn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)c1cncn1-c1ccccc1
C[C@H](CCc1ccccc1)NC(=O)c1cncn1-c1ccccc1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)c1cncn1-c1ccccc1)[*:1]
Cc1c(Cl)cccc1NC(=S)N1CC[NH+](CCO)CC1 OCC[*:1] Cc1c(Cl)cccc1NC(=S)N1CC[NH+](CC1)[*:1]
Cc1ccc(NC(=O)N[C@@H](C)CCCO)cc1S(C)(=O)=O OCC[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[C@@H](C)C[*:1]
Cc1ccc(NC(=O)N[C@@H](C)CCCO)cc1S(C)(=O)=O OCCC[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[C@@H](C)[*:1]
Cc1ccc(NC(=O)N[C@@H](C)CCCO)cc1S(C)(=O)=O C[C@@H](CCCO)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[*:1]
Cc1ccc(NC(=O)N[C@@H](C)CCCO)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@@H](C)CCCO
C[C@H](NC(=O)N[C@@H]1CCCC1(C)C)c1nc(C(C)(C)C)no1 CC1(C)CCC[C@H]1[*:1] C[C@H](NC(=O)N[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)N[C@@H]1CCCC1(C)C)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)N[C@@H]1CCCC1(C)C)c1nc(no1)[*:1]
Cc1nc(NC2CC2)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 C1CC1N[*:1] Cc1nc(sc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O)[*:1]
Cc1nc(NC2CC2)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cc1nc(NC2CC2)sc1C(=O)NCCc1ccc(cc1)[*:1]
Cc1nc(NC2CC2)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 C1CC1[*:1] Cc1nc(N[*:1])sc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O
COC(C)(C)C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 COC(C)(C)[*:1] Cc1cccc(n1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](C)C[*:1]
COC(C)(C)C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 Cc1cccc(n1)[*:1] COC(C)(C)C[C@H](C)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COC(C)(C)C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 COC(C)(C)C[*:1] Cc1cccc(n1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
CN1CCN(C(=O)c2cc(-c3ccccc3)on2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)c2cc(on2)-c2ccccc2)[C@@H](C1)[*:1]
CN1CCN(C(=O)c2cc(-c3ccccc3)on2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)c2cc(on2)[*:1])[C@H](C1)c1ccccc1
CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1 CCO[*:1] CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)Sc1nncn1-c1ccccc1C CC[C@@H](C)[*:1] Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@H](C)Sc1nncn1-c1ccccc1C Cc1ccccc1[*:1] CC[C@@H](C)NC(=O)[C@H](C)Sc1nncn1[*:1]
CC[C@@H](C)NC(=O)[C@H](C)Sc1nncn1-c1ccccc1C CC[C@@H](C)NC(=O)[*:1] Cc1ccccc1-n1cnnc1S[C@@H](C)[*:1]
O=C(NCCCCl)C1CCN(c2cccc(Cl)c2)CC1 ClCCC[*:1] O=C(N[*:1])C1CCN(CC1)c1cccc(Cl)c1
O=C(NCCCCl)C1CCN(c2cccc(Cl)c2)CC1 ClCC[*:1] O=C(NC[*:1])C1CCN(CC1)c1cccc(Cl)c1
CC(C)C[C@@H](C[NH3+])C(=O)N1CCOC[C@H]1C(=O)[O-] CC(C)[*:1] [NH3+]C[C@H](C[*:1])C(=O)N1CCOC[C@H]1C(=O)[O-]
CC(C)C[C@@H](C[NH3+])C(=O)N1CCOC[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](C[NH3+])C(=O)N1CCOC[C@@H]1[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)N1CCOC[C@H]1C(=O)[O-] CC(C)C[*:1] [NH3+]C[C@@H](C(=O)N1CCOC[C@H]1C(=O)[O-])[*:1]
Cc1ncsc1C(=O)N1CCC[NH+](Cc2ccn(C(C)C)n2)CC1 CC(C)[*:1] Cc1ncsc1C(=O)N1CCC[NH+](CC1)Cc1ccn(n1)[*:1]
Cc1ncsc1C(=O)N1CCC[NH+](Cc2ccn(C(C)C)n2)CC1 CC(C)n1ccc(n1)[*:1] Cc1ncsc1C(=O)N1CCC[NH+](CC1)C[*:1]
Cc1ncsc1C(=O)N1CCC[NH+](Cc2ccn(C(C)C)n2)CC1 Cc1ncsc1[*:1] CC(C)n1ccc(C[NH+]2CCCN(CC2)C(=O)[*:1])n1
Cc1cccc(Oc2cc(NC(=O)c3ccccc3)cc([N+](=O)[O-])c2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)Oc1cc(cc(c1)[N+](=O)[O-])NC(=O)[*:1]
Cc1cccc(Oc2cc(NC(=O)c3ccccc3)cc([N+](=O)[O-])c2)c1 Cc1cccc(c1)[*:1] O=C(Nc1cc(cc(c1)[N+](=O)[O-])O[*:1])c1ccccc1
Cc1cccc(Oc2cc(NC(=O)c3ccccc3)cc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)Oc1cc(cc(c1)[*:1])NC(=O)c1ccccc1
Cc1cccc(Oc2cc(NC(=O)c3ccccc3)cc([N+](=O)[O-])c2)c1 Cc1cccc(c1)O[*:1] O=C(Nc1cc(cc(c1)[*:1])[N+](=O)[O-])c1ccccc1
COc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc(OC)c1 Clc1ccc(cc1Cl)[*:1] COc1cc(cc(c1)OC)NC(=O)C(=O)N[C@H](C)[*:1]
CCCCc1nc(C[NH2+][C@@H]2CCCC2(C)C)c(Cl)[nH]1 CCCC[*:1] CC1(C)CCC[C@H]1[NH2+]Cc1nc([nH]c1Cl)[*:1]
CCCCc1nc(C[NH2+][C@@H]2CCCC2(C)C)c(Cl)[nH]1 CCC[*:1] CC1(C)CCC[C@H]1[NH2+]Cc1nc(C[*:1])[nH]c1Cl
CCc1ccc(C(=O)N(C)CCc2cccc3ccccc23)o1 CCc1ccc(o1)[*:1] CN(CCc1cccc2ccccc12)C(=O)[*:1]
Cc1c(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cccc1C(F)(F)F FC(F)(F)[*:1] Cc1c(cccc1[*:1])NC(=O)N1CC[C@H](C)[C@@H](O)C1
CCc1cnc(CCNC(=O)N(C)Cc2nc(C)cs2)s1 Cc1csc(C[*:1])n1 CCc1cnc(CCNC(=O)N(C)[*:1])s1
CCc1cnc(CCNC(=O)N(C)Cc2nc(C)cs2)s1 CCc1cnc(s1)[*:1] Cc1csc(CN(C)C(=O)NCC[*:1])n1
CCc1cnc(CCNC(=O)N(C)Cc2nc(C)cs2)s1 Cc1csc(n1)[*:1] CCc1cnc(CCNC(=O)N(C)C[*:1])s1
O=C(Nc1cccc(COc2cccc(F)c2)c1)N1CCOCC1 Fc1cccc(c1)O[*:1] O=C(Nc1cccc(c1)C[*:1])N1CCOCC1
O=C(Nc1cccc(COc2cccc(F)c2)c1)N1CCOCC1 Fc1cccc(c1)[*:1] O=C(Nc1cccc(c1)CO[*:1])N1CCOCC1
CCC1(CC)[C@@H](OC)[C@H](C)[C@@H]1N1C(=O)[C@H](CCSC)NC1=S CSCC[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@@H]1N1C(=O)[C@H](NC1=S)[*:1]
CCC1(CC)[C@@H](OC)[C@H](C)[C@@H]1N1C(=O)[C@H](CCSC)NC1=S CSC[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@@H]1N1C(=O)[C@H](C[*:1])NC1=S
CCc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 CCc1cccc(c1)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)N[*:1]
COC(=O)c1ccc(OCc2ccc(C#N)cc2F)c(OC)c1 COC(=O)[*:1] COc1cc(ccc1OCc1ccc(C#N)cc1F)[*:1]
CC/C=C/COC(=O)Cn1cnc2c(cnn2C)c1=O CCC=C[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)OC[*:1]
CC/C=C/COC(=O)Cn1cnc2c(cnn2C)c1=O CC/C=C/C[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)O[*:1]
C[NH2+]Cc1cc(Cl)ccc1O[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[NH2+]Cc1cc(Cl)ccc1O[C@H]1CCC[C@@H](C1)[*:1]
C[C@]1(C(=O)[O-])CCC[C@]2(C)[C@@H]1CC[C@@]13C=C(CO)[C@@H](CC[C@@H]12)C3 O=C([O-])[*:1] C[C@@]12CCC[C@@](C)([C@H]1CC[C@@]13C=C(CO)[C@@H](CC[C@@H]12)C3)[*:1]
CCCOC[C@H]1CCN(C(=O)c2cnc(C)[nH]c2=O)C1 CCC[*:1] Cc1ncc(C(=O)N2CC[C@H](CO[*:1])C2)c(=O)[nH]1
CCCOC[C@H]1CCN(C(=O)c2cnc(C)[nH]c2=O)C1 CCCO[*:1] Cc1ncc(C(=O)N2CC[C@@H](C2)C[*:1])c(=O)[nH]1
CCCOC[C@H]1CCN(C(=O)c2cnc(C)[nH]c2=O)C1 CCCOC[*:1] Cc1ncc(C(=O)N2CC[C@@H](C2)[*:1])c(=O)[nH]1
Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)N1CCO[C@@H](C1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCO[C@H](C1)c1ccc(F)cc1)[*:1]
COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(N)cc2C)C1 COC(=O)[*:1] Cc1cc(N)ccc1S(=O)(=O)N1CC[C@H](C1)[*:1]
CN1CC[C@]2(CCC1=O)CN(C(=O)CCc1cc(=O)[nH]o1)CCN2C O=c1cc(C[*:1])o[nH]1 CN1CC[C@]2(CCC1=O)CN(CCN2C)C(=O)C[*:1]
CN1CC[C@]2(CCC1=O)CN(C(=O)CCc1cc(=O)[nH]o1)CCN2C O=c1cc(CC[*:1])o[nH]1 CN1CC[C@]2(CCC1=O)CN(CCN2C)C(=O)[*:1]
CN1CC[C@]2(CCC1=O)CN(C(=O)CCc1cc(=O)[nH]o1)CCN2C O=c1cc(o[nH]1)[*:1] CN1CC[C@]2(CCC1=O)CN(CCN2C)C(=O)CC[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Cc1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)C[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Cc1c(C)n[nH]c1C CC[S@@](=O)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@H]1CCCC[C@H]1[*:1]
Cc1nc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])cs1 O=C([O-])[*:1] Cc1nc(/C=C/C(=O)N2CCC[C@H]2[*:1])cs1
Cc1nc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])cs1 Cc1nc(cs1)[*:1] O=C([O-])[C@H]1CCCN1C(=O)C=C[*:1]
C[C@@H](Oc1csc(C(=O)[O-])c1)C(=O)N1CCCC1 O=C([O-])[*:1] C[C@@H](Oc1csc(c1)[*:1])C(=O)N1CCCC1
O=C(Nc1nc2ccc(F)cn2n1)C1(c2ccc(F)cc2)CCC1 Fc1ccc(cc1)[*:1] O=C(Nc1nc2ccc(F)cn2n1)C1(CCC1)[*:1]
CCSc1nc(-c2ccccc2)c(NC(=O)c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] CCSc1nc(-c2ccccc2)c(NC(=O)[*:1])s1
CCSc1nc(-c2ccccc2)c(NC(=O)c2ccc(F)cc2)s1 CCS[*:1] O=C(Nc1sc(nc1-c1ccccc1)[*:1])c1ccc(F)cc1
CCSc1nc(-c2ccccc2)c(NC(=O)c2ccc(F)cc2)s1 c1ccc(cc1)[*:1] CCSc1nc(c(NC(=O)c2ccc(F)cc2)s1)[*:1]
CCNS(=O)(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)O[*:1] CCNS(=O)(=O)c1ccc(cc1)NC(=O)C(C)(C)[*:1]
CCNS(=O)(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 CCNS(=O)(=O)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)[*:1]
CCNS(=O)(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCNS(=O)(=O)c1ccc(cc1)NC(=O)C(C)(C)O[*:1]
CC(C)(C)c1csc(SCC(=O)Nc2ccncc2)n1 c1cc(ccn1)[*:1] CC(C)(C)c1csc(n1)SCC(=O)N[*:1]
CC(C)(C)c1csc(SCC(=O)Nc2ccncc2)n1 CC(C)(C)[*:1] O=C(CSc1nc(cs1)[*:1])Nc1ccncc1
Cc1cc2c(cc1Cl)C=CC1(CC[NH+](CC(=O)N3CCCC3)CC1)O2 O=C(N1CCCC1)[*:1] Cc1cc2OC3(C=Cc2cc1Cl)CC[NH+](CC3)C[*:1]
Cc1cc2c(cc1Cl)C=CC1(CC[NH+](CC(=O)N3CCCC3)CC1)O2 O=C(C[*:1])N1CCCC1 Cc1cc2OC3(C=Cc2cc1Cl)CC[NH+](CC3)[*:1]
CC[C@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)C(=O)OC Cc1cc(C)n(n1)[*:1] CC[C@H](NC(=O)c1ccc(cc1)[*:1])C(=O)OC
CC[C@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)C(=O)OC CC[C@H](C(=O)OC)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N[*:1]
CC[C@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)c1ccc(cc1)-n1nc(C)cc1C)[*:1]
CC(C)CNC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CC(C)CNC(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(C)CNC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 CC(C)[*:1] O=C(NC[*:1])Nc1cccc(c1)C(=O)Nc1cccc(F)c1
CC(C)CNC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 CC(C)C[*:1] O=C(Nc1cccc(c1)C(=O)Nc1cccc(F)c1)N[*:1]
CC(C)CNC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 CC(C)CNC(=O)N[*:1] O=C(Nc1cccc(F)c1)c1cccc(c1)[*:1]
Cc1cc(C(=O)N(C)C)ccc1N(C)S(=O)(=O)c1ccccc1 CN(C)C(=O)[*:1] Cc1cc(ccc1N(C)S(=O)(=O)c1ccccc1)[*:1]
Cc1cc(C(=O)N(C)C)ccc1N(C)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1N(C)S(=O)(=O)[*:1])C(=O)N(C)C
[O-]c1cc(CN2CCC[C@H](c3nnc4ccccn34)C2)nc2c(F)cccc12 c1ccn2c(nnc2c1)[*:1] [O-]c1cc(CN2CCC[C@H](C2)[*:1])nc2c(F)cccc12
CCC[NH2+]C[C@]1(c2ccc(F)cc2F)CCC[C@H]1C CCC[*:1] C[C@@H]1CCC[C@]1(C[NH2+][*:1])c1ccc(F)cc1F
C[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C[C@H]1O Fc1ccc(cc1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1ccccc1C(=O)[*:1]
[NH3+]CCSCC(=O)Nc1cc(Cl)c(Cl)cc1Cl [NH3+]CCSC[*:1] O=C(Nc1cc(Cl)c(Cl)cc1Cl)[*:1]
C[NH+]1CCN(CCOc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)CC1 Brc1ccc(cc1)[*:1] C[NH+]1CCN(CCOc2ccc3c(=O)c(coc3c2)[*:1])CC1
Cn1c(SCc2cc(-c3ccc(Cl)cc3Cl)no2)nnc1-c1cccnc1 c1cncc(c1)[*:1] Cn1c(nnc1[*:1])SCc1cc(no1)-c1ccc(Cl)cc1Cl
Cn1c(SCc2cc(-c3ccc(Cl)cc3Cl)no2)nnc1-c1cccnc1 Clc1ccc(c(Cl)c1)[*:1] Cn1c(nnc1-c1cccnc1)SCc1cc(no1)[*:1]
CCSC[C@@H](C)N(C)C(=O)[C@H]1C[C@@H]1c1ccc(C)s1 CCS[*:1] Cc1ccc(s1)[C@H]1C[C@@H]1C(=O)N(C)[C@H](C)C[*:1]
CCSC[C@@H](C)N(C)C(=O)[C@H]1C[C@@H]1c1ccc(C)s1 Cc1ccc(s1)[*:1] CCSC[C@@H](C)N(C)C(=O)[C@H]1C[C@H]1[*:1]
CCSC[C@@H](C)N(C)C(=O)[C@H]1C[C@@H]1c1ccc(C)s1 CCSC[*:1] Cc1ccc(s1)[C@H]1C[C@@H]1C(=O)N(C)[C@H](C)[*:1]
CCSC[C@@H](C)N(C)C(=O)[C@H]1C[C@@H]1c1ccc(C)s1 CCSC[C@@H](C)[*:1] Cc1ccc(s1)[C@H]1C[C@@H]1C(=O)N(C)[*:1]
O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CCO1 O=C([O-])[*:1] O=S(=O)(c1ccc(F)c(F)c1)N1CCO[C@H](C1)C[*:1]
O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CCO1 O=C([O-])C[*:1] O=S(=O)(c1ccc(F)c(F)c1)N1CCO[C@H](C1)[*:1]
Cc1ccc(OCCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)CCO[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] COc1ccc(cc1NC(=O)c1ccc(nc1)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCOCC2)nc1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1ccc(nc1)N1CCOCC1)[*:1]
Cc1ccnc(Oc2ccc(O[C@@H](C)C(N)=O)cc2)n1 C[C@@H](C(N)=O)[*:1] Cc1ccnc(n1)Oc1ccc(cc1)O[*:1]
Cc1ccnc(Oc2ccc(O[C@@H](C)C(N)=O)cc2)n1 NC(=O)[*:1] Cc1ccnc(n1)Oc1ccc(cc1)O[C@@H](C)[*:1]
Cc1ccnc(Oc2ccc(O[C@@H](C)C(N)=O)cc2)n1 C[C@H](O[*:1])C(N)=O Cc1ccnc(n1)Oc1ccc(cc1)[*:1]
CCc1cccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1O Clc1ccccc1[*:1] CCc1cccc(C(=O)N2CCO[C@H](C2)[*:1])c1O
Cc1cc(C)c2nc(N)c(-c3ccccc3)cc2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2nc(N)c(cc2c1)[*:1]
Cc1cccc(/C=N\Nc2nnc(-c3ccccc3)c([O-])n2)c1 c1ccc(cc1)[*:1] Cc1cccc(/C=N\Nc2nnc(c([O-])n2)[*:1])c1
Cc1cccc(/C=N\Nc2nnc(-c3ccccc3)c([O-])n2)c1 Cc1cccc(c1)[*:1] [O-]c1nc(nnc1-c1ccccc1)NN=C[*:1]
O=C(NCc1ccccc1Cl)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 Clc1ccccc1[*:1] O=C(NC[*:1])c1c2CCCc2nn1[C@H]1CCS(=O)(=O)C1
O=C(NCc1ccccc1Cl)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 Clc1ccccc1C[*:1] O=C(N[*:1])c1c2CCCc2nn1[C@H]1CCS(=O)(=O)C1
COCCn1ccc2ccc(NC(=O)NC[C@](C)(O)C(C)C)cc21 COCC[*:1] CC(C)[C@@](C)(O)CNC(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)NC[C@](C)(O)C(C)C)cc21 COC[*:1] CC(C)[C@@](C)(O)CNC(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)NC[C@](C)(O)C(C)C)cc21 CC(C)[*:1] COCCn1ccc2ccc(cc21)NC(=O)NC[C@](C)(O)[*:1]
COc1ccc([C@@H](CO)N(C)CN2CCCCC2=O)cc1 O=C1CCCCN1[*:1] COc1ccc(cc1)[C@@H](CO)N(C)C[*:1]
CCc1nn(C)cc1CNC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 CCc1nn(C)cc1C[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)C(=O)N[*:1])OC
CCc1nn(C)cc1CNC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 CCc1nn(C)cc1[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)C(=O)NC[*:1])OC
CCn1cnnc1CNC(=O)N1CCN(c2cccs2)CC1 c1csc(c1)[*:1] CCn1cnnc1CNC(=O)N1CCN(CC1)[*:1]
CCn1cnnc1CNC(=O)N1CCN(c2cccs2)CC1 CCn1cnnc1[*:1] O=C(NC[*:1])N1CCN(CC1)c1cccs1
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(OCc4ccccc4)cc3)nc12 c1ccc(cc1)C[*:1] COc1cc(cc2sc(nc12)NC(=O)c1ccc(cc1)O[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(OCc4ccccc4)cc3)nc12 c1ccc(cc1)[*:1] COc1cc(cc2sc(nc12)NC(=O)c1ccc(cc1)OC[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(OCc4ccccc4)cc3)nc12 c1ccc(cc1)CO[*:1] COc1cc(cc2sc(nc12)NC(=O)c1ccc(cc1)[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(OCc4ccccc4)cc3)nc12 O=[N+]([O-])[*:1] COc1cc(cc2sc(nc12)NC(=O)c1ccc(cc1)OCc1ccccc1)[*:1]
CC(C)(C)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCCC1(C)C CC(C)(C)O[*:1] CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1[*:1]
CC(C)(C)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCCC1(C)C CC(C)(C)[*:1] CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1O[*:1]
CC(C)[C@H](NC(=O)N[C@H]1CCCNC1=O)c1ccccn1 CC(C)[*:1] O=C(N[C@H]1CCCNC1=O)N[C@H](c1ccccn1)[*:1]
CC(C)[C@H](NC(=O)N[C@H]1CCCNC1=O)c1ccccn1 O=C1NCCC[C@@H]1[*:1] CC(C)[C@H](NC(=O)N[*:1])c1ccccn1
CC(C)[C@H](NC(=O)N[C@H]1CCCNC1=O)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)N[C@H]1CCCNC1=O)[*:1]
C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[*:1]
C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(F)c(Cl)c1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@H](NC(=O)N[*:1])C(=O)Nc1ccc(F)c(Cl)c1
O=C(NCc1ccccc1)C(=O)Nc1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(Br)cc1
O=C(OC[C@H]1CCCCO1)c1ccc(Br)c(F)c1 C1CC[C@@H](OC1)[*:1] O=C(OC[*:1])c1ccc(Br)c(F)c1
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 CC[C@H](C)[*:1] O=C(N[C@H](C(=O)NCc1nc2ccccc2[nH]1)[*:1])c1ccccc1
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)[*:1])C(=O)NCc1nc2ccccc2[nH]1
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 O=C(N[*:1])c1ccccc1 CC[C@H](C)[C@H](C(=O)NCc1nc2ccccc2[nH]1)[*:1]
CC(C)Sc1nnc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)s1 CC(C)S[*:1] CN(C(=O)CSc1nnc(s1)[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)Sc1nnc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)s1 CC(C)[*:1] CN(C(=O)CSc1nnc(S[*:1])s1)[C@H]1CCS(=O)(=O)C1
CC(C)Sc1nnc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)s1 O=S1(=O)CC[C@@H](C1)[*:1] CC(C)Sc1nnc(SCC(=O)N(C)[*:1])s1
CC(C)(C)Oc1ccccc1CNC(=O)c1cccc(-n2cnnn2)c1 CC(C)(C)O[*:1] O=C(NCc1ccccc1[*:1])c1cccc(c1)-n1cnnn1
CC(C)(C)Oc1ccccc1CNC(=O)c1cccc(-n2cnnn2)c1 CC(C)(C)[*:1] O=C(NCc1ccccc1O[*:1])c1cccc(c1)-n1cnnn1
CC(C)(C)Oc1ccccc1CNC(=O)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] CC(C)(C)Oc1ccccc1CNC(=O)c1cccc(c1)[*:1]
COCCOc1cccc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 COCC[*:1] c1cc(cc(c1)O[*:1])CN1CCc2nc(ncc2C1)[C@H]1CCC[NH2+]1
COCCOc1cccc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 COCCO[*:1] c1cc(cc(c1)[*:1])CN1CCc2nc(ncc2C1)[C@H]1CCC[NH2+]1
COCCOc1cccc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 COC[*:1] c1cc(cc(c1)OC[*:1])CN1CCc2nc(ncc2C1)[C@H]1CCC[NH2+]1
C/C=C/C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 CC=C[*:1] N#Cc1ccc(cc1C(F)(F)F)NC(=O)[*:1]
C/C=C/C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 C/C=C/C(=O)N[*:1] N#Cc1ccc(cc1C(F)(F)F)[*:1]
C/C=C/C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 FC(F)(F)[*:1] C/C=C/C(=O)Nc1ccc(C#N)c(c1)[*:1]
O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1cccc(Cl)c1Cl c1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC1)CC[*:1])Nc1cccc(Cl)c1Cl
O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(CN1CC[NH+](CCc2ccccc2)CC1)N[*:1]
O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1cccc(Cl)c1Cl c1ccc(cc1)CC[*:1] O=C(CN1CC[NH+](CC1)[*:1])Nc1cccc(Cl)c1Cl
O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1cccc(Cl)c1Cl c1ccc(cc1)C[*:1] O=C(CN1CC[NH+](CC1)C[*:1])Nc1cccc(Cl)c1Cl
Cc1cccc(C)c1C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 O=C(NC[C@H]1CCCO1)[*:1] Cc1cccc(C)c1C(=O)NCc1cccc(c1)[*:1]
Cc1cccc(C)c1C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 Cc1cccc(C)c1[*:1] O=C(NC[C@H]1CCCO1)c1cccc(c1)CNC(=O)[*:1]
O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)N1CCN(CC1)[*:1]
C=CCNC(=O)c1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] C=CCNC(=O)c1ccccc1C[*:1]
C=CCNC(=O)c1ccccc1Cc1ccccc1 C=CCNC(=O)[*:1] c1ccc(cc1)Cc1ccccc1[*:1]
C=CCNC(=O)c1ccccc1Cc1ccccc1 C=CC[*:1] O=C(N[*:1])c1ccccc1Cc1ccccc1
Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] Cc1nc2[C@@H](CCCn2n1)N[C@H](C)c1cccc(c1)[*:1]
Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] Cc1nc2[C@@H](CCCn2n1)N[C@H](C)c1cccc(c1)O[*:1]
O=C1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CCN1 Fc1ccc(cc1F)[*:1] O=C1CN(CCN1)C(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
O=C1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CCN1 O=C1CN(CCN1)C(=O)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc(F)c(F)c1
O=C(NCc1cccs1)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F c1csc(c1)[*:1] O=C(NCc1cccs1)c1nn2c(N[C@H](C[C@@H]2C(F)(F)F)[*:1])c1Br
O=C(NCc1cccs1)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F FC(F)(F)[*:1] O=C(NCc1cccs1)c1nn2c(N[C@@H](C[C@H]2[*:1])c2cccs2)c1Br
O=C(NCc1cccs1)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F O=C(NCc1cccs1)[*:1] FC(F)(F)[C@H]1C[C@H](Nc2c(Br)c(nn21)[*:1])c1cccs1
O=C(NCc1cccs1)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F c1csc(c1)[*:1] O=C(NC[*:1])c1nn2c(N[C@@H](C[C@@H]2C(F)(F)F)c2cccs2)c1Br
O=C(NCc1cccs1)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F c1csc(c1)C[*:1] O=C(N[*:1])c1nn2c(N[C@@H](C[C@@H]2C(F)(F)F)c2cccs2)c1Br
Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)o2)cc1C CS(=O)(=O)[*:1] Cc1ccc(cc1C)-c1cnc(CCC(=O)N[C@@H](C)c2ccc(cc2)[*:1])o1
Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)o2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](NC(=O)CCc1ncc(o1)[*:1])c1ccc(cc1)S(C)(=O)=O
Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)o2)cc1C CS(=O)(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1cnc(CCC(=O)N[C@@H](C)[*:1])o1
CCCOc1ccc([C@@H]2[C@@H]3CN(C(C)=O)CC=C3[C@H](C#N)C(=N)C2(C#N)C#N)cc1OC CCC[*:1] COc1cc(ccc1O[*:1])[C@@H]1[C@@H]2CN(CC=C2[C@H](C#N)C(=N)C1(C#N)C#N)C(C)=O
CCCOc1ccc([C@@H]2[C@@H]3CN(C(C)=O)CC=C3[C@H](C#N)C(=N)C2(C#N)C#N)cc1OC CCCO[*:1] COc1cc(ccc1[*:1])[C@@H]1[C@@H]2CN(CC=C2[C@H](C#N)C(=N)C1(C#N)C#N)C(C)=O
CC1=C(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2C)SCCO1 CC(C)CC[*:1] CC1OCCSC=1C(=O)Nc1cc(ccc1C)C(=O)N[*:1]
CC1=C(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2C)SCCO1 CC(C)[*:1] CC1OCCSC=1C(=O)Nc1cc(ccc1C)C(=O)NCC[*:1]
CC1=C(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2C)SCCO1 CC(C)C[*:1] CC1OCCSC=1C(=O)Nc1cc(ccc1C)C(=O)NC[*:1]
CC1=C(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2C)SCCO1 CC(C)CCNC(=O)[*:1] CC1OCCSC=1C(=O)Nc1cc(ccc1C)[*:1]
O=C([O-])c1ccccc1[C@@H]1SCC(=O)N1NC(=S)Nc1ccccc1 O=C([O-])[*:1] O=C1CS[C@@H](c2ccccc2[*:1])N1NC(=S)Nc1ccccc1
O=C([O-])c1ccccc1[C@@H]1SCC(=O)N1NC(=S)Nc1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1ccccc1[C@@H]1SCC(=O)N1NC(=S)N[*:1]
CCOC1CCN(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)CC1 c1ccc(cc1)[*:1] CCOC1CCN(CC1)C(=O)NCc1c(C)nn(C[*:1])c1C
CCOC1CCN(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)CC1 c1ccc(cc1)C[*:1] CCOC1CCN(CC1)C(=O)NCc1c(C)nn(c1C)[*:1]
CCOC1CCN(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)CC1 CCO[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N1CCC(CC1)[*:1]
CCc1cc([C@H]2CCCN2C(=O)NC[C@H]2CCCO2)on1 C1CO[C@H](C1)[*:1] CCc1cc(on1)[C@H]1CCCN1C(=O)NC[*:1]
CCc1cc([C@H]2CCCN2C(=O)NC[C@H]2CCCO2)on1 C1CO[C@H](C1)C[*:1] CCc1cc(on1)[C@H]1CCCN1C(=O)N[*:1]
CCc1cc([C@H]2CCCN2C(=O)NC[C@H]2CCCO2)on1 CCc1cc(on1)[*:1] O=C(NC[C@H]1CCCO1)N1CCC[C@@H]1[*:1]
O=C(NCCNC(=O)C(F)(F)F)c1ccc2c(c1)CCCO2 FC(F)(F)[*:1] O=C(NCCNC(=O)[*:1])c1ccc2OCCCc2c1
O=C(NCCNC(=O)C(F)(F)F)c1ccc2c(c1)CCCO2 O=C(N[*:1])C(F)(F)F O=C(NCC[*:1])c1ccc2OCCCc2c1
Cc1ccc(NC(=O)[C@H](C)Sc2ncn[nH]2)c(C)c1 c1n[nH]c(n1)[*:1] Cc1ccc(NC(=O)[C@H](C)S[*:1])c(C)c1
Cc1ccc(NC(=O)[C@H](C)Sc2ncn[nH]2)c(C)c1 c1n[nH]c(n1)S[*:1] Cc1ccc(NC(=O)[C@H](C)[*:1])c(C)c1
Cc1ccc(F)cc1NC(=O)C[NH+]1CCC(c2nc(-c3cccs3)no2)CC1 c1csc(c1)[*:1] Cc1ccc(F)cc1NC(=O)C[NH+]1CCC(CC1)c1nc(no1)[*:1]
Cc1ccc(F)cc1NC(=O)C[NH+]1CCC(c2nc(-c3cccs3)no2)CC1 Cc1ccc(F)cc1[*:1] O=C(C[NH+]1CCC(CC1)c1nc(no1)-c1cccs1)N[*:1]
COc1ccccc1CNC(=O)[C@H](C)[S@@](=O)Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COc1ccccc1CNC(=O)[C@H](C)[S@@](=O)C[*:1]
COc1ccccc1CNC(=O)[C@H](C)[S@@](=O)Cc1ccc(F)c(F)c1 COc1ccccc1[*:1] C[C@@H](C(=O)NC[*:1])[S@@](=O)Cc1ccc(F)c(F)c1
O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3ccccc3)co2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)C[S@](=O)C[*:1]
O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3ccccc3)co2)cc1 O=[N+]([O-])[*:1] O=[S@](Cc1ccccc1)Cc1coc(n1)-c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(-c2nc(C[S@](=O)Cc3ccccc3)co2)cc1 c1ccc(cc1)C[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)C[S@](=O)[*:1]
CCOC(=O)C1CC[NH+](Cc2cnc(Oc3ccc(Cl)cc3C)s2)CC1 Cc1cc(Cl)ccc1[*:1] CCOC(=O)C1CC[NH+](CC1)Cc1cnc(O[*:1])s1
CCOC(=O)C1CC[NH+](Cc2cnc(Oc3ccc(Cl)cc3C)s2)CC1 CCOC(=O)[*:1] Cc1cc(Cl)ccc1Oc1ncc(C[NH+]2CCC(CC2)[*:1])s1
O=C(NNC(=S)Nc1cccc(Br)c1)c1ccc(F)cc1F Brc1cccc(c1)[*:1] O=C(NNC(=S)N[*:1])c1ccc(F)cc1F
O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NCc1cccs1 O=C(NCc1cccs1)[*:1] O=C(c1cn(C[*:1])c2ccccc12)C1CCCCC1
O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NCc1cccs1 C1CCC(CC1)[*:1] O=C(Cn1cc(C(=O)[*:1])c2ccccc21)NCc1cccs1
O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NCc1cccs1 c1csc(c1)C[*:1] O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)N[*:1]
O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NCc1cccs1 c1csc(c1)[*:1] O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NC[*:1]
O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NCc1cccs1 O=C(C1CCCCC1)[*:1] O=C(Cn1cc(c2ccccc21)[*:1])NCc1cccs1
O=C(NCC1(c2ccccc2)CCCC1)Nc1cc(C(F)(F)F)c[nH]c1=O c1ccc(cc1)[*:1] O=C(NCC1(CCCC1)[*:1])Nc1cc(c[nH]c1=O)C(F)(F)F
O=C(NCC1(c2ccccc2)CCCC1)Nc1cc(C(F)(F)F)c[nH]c1=O FC(F)(F)[*:1] O=C(NCC1(CCCC1)c1ccccc1)Nc1cc(c[nH]c1=O)[*:1]
CC1(C)CCCC[C@@]1(CC(=O)[O-])[NH+]1CCCCCC1 O=C([O-])C[*:1] CC1(C)CCCC[C@]1([NH+]1CCCCCC1)[*:1]
CC1(C)CCCC[C@@]1(CC(=O)[O-])[NH+]1CCCCCC1 O=C([O-])[*:1] CC1(C)CCCC[C@@]1(C[*:1])[NH+]1CCCCCC1
CC[C@H](C(=O)N1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1)c1ccccc1 Fc1cccc(c1)[*:1] CC[C@H](C(=O)N1CCN(CC1)c1cc(ncn1)[*:1])c1ccccc1
CC[C@H](C(=O)N1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCN(CC1)c1cc(ncn1)-c1cccc(F)c1)[*:1]
Cc1oc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1
Cc1oc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1S(N)(=O)=O Clc1cccc(c1)[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)N[C@@H]1C[C@H]1[*:1]
CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2 c1ccc(cc1)[*:1] CCNC(=O)[C@@H](CC)Oc1ccc2CCN(C(=O)C(C)C)[C@@H](c2c1)[*:1]
CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2 CCNC(=O)[*:1] CC[C@@H](Oc1ccc2CCN(C(=O)C(C)C)[C@@H](c3ccccc3)c2c1)[*:1]
CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2 CC(C)[*:1] CCNC(=O)[C@@H](CC)Oc1ccc2CCN(C(=O)[*:1])[C@@H](c3ccccc3)c2c1
CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2 CCNC(=O)[C@@H](CC)O[*:1] CC(C)C(=O)N1CCc2ccc(cc2[C@@H]1c1ccccc1)[*:1]
Cc1nn(CCO)c(C)c1CN1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 c1ccc(cc1)C[*:1] Cc1nn(CCO)c(C)c1CN1C[C@H]2OCCN([C@@H]2C1)[*:1]
Cc1nn(CCO)c(C)c1CN1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 c1ccc(cc1)[*:1] Cc1nn(CCO)c(C)c1CN1C[C@H]2OCCN(C[*:1])[C@@H]2C1
Cc1nn(CCO)c(C)c1CN1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 OCC[*:1] Cc1nn(c(C)c1CN1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1)[*:1]
COc1ccc(CNC(=O)Cn2c(N3CCCCC3)nc3ccsc3c2=O)cc1 COc1ccc(cc1)C[*:1] O=C(Cn1c(nc2ccsc2c1=O)N1CCCCC1)N[*:1]
COc1ccc(CNC(=O)Cn2c(N3CCCCC3)nc3ccsc3c2=O)cc1 COc1ccc(cc1)[*:1] O=C(Cn1c(nc2ccsc2c1=O)N1CCCCC1)NC[*:1]
COc1ccc(CNC(=O)Cn2c(N3CCCCC3)nc3ccsc3c2=O)cc1 C1CCN(CC1)[*:1] COc1ccc(cc1)CNC(=O)Cn1c(nc2ccsc2c1=O)[*:1]
CCCn1c(-c2nc(C(=O)NCC(C)C)cs2)cc2ccccc21 CCC[*:1] CC(C)CNC(=O)c1csc(n1)-c1cc2ccccc2n1[*:1]
CCCn1c(-c2nc(C(=O)NCC(C)C)cs2)cc2ccccc21 CC(C)C[*:1] CCCn1c(cc2ccccc21)-c1nc(cs1)C(=O)N[*:1]
CCCn1c(-c2nc(C(=O)NCC(C)C)cs2)cc2ccccc21 CC(C)[*:1] CCCn1c(cc2ccccc21)-c1nc(cs1)C(=O)NC[*:1]
CCCn1c(-c2nc(C(=O)NCC(C)C)cs2)cc2ccccc21 CC(C)CNC(=O)[*:1] CCCn1c(cc2ccccc21)-c1nc(cs1)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)N(CC(C)C)C2CC2)cc1 C1CC1[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)N(CC(C)C)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)N(CC(C)C)C2CC2)cc1 CCS(=O)(=O)[*:1] CC(C)CN(C(=O)Nc1ccc(cc1)[*:1])C1CC1
CCS(=O)(=O)c1ccc(NC(=O)N(CC(C)C)C2CC2)cc1 CC(C)C[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)N(C1CC1)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)N(CC(C)C)C2CC2)cc1 CC(C)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)N(C[*:1])C1CC1
CC(C)C[C@H]1COCCN1C(=O)N[C@H]1CCN(c2ccccc2)C1=O CC(C)C[*:1] O=C1[C@H](CCN1c1ccccc1)NC(=O)N1CCOC[C@@H]1[*:1]
CC(C)C[C@H]1COCCN1C(=O)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)C[C@H]1COCCN1C(=O)N[C@H]1CCN(C1=O)[*:1]
CC(C)C[C@H]1COCCN1C(=O)N[C@H]1CCN(c2ccccc2)C1=O CC(C)[*:1] O=C1[C@H](CCN1c1ccccc1)NC(=O)N1CCOC[C@@H]1C[*:1]
CCOc1ccc2nc(S[C@H]3CC(=O)N(c4ccc(F)cc4F)C3=O)sc2c1 Fc1ccc(c(F)c1)[*:1] CCOc1ccc2nc(S[C@H]3CC(=O)N(C3=O)[*:1])sc2c1
CCOc1ccc2nc(S[C@H]3CC(=O)N(c4ccc(F)cc4F)C3=O)sc2c1 CCO[*:1] O=C1C[C@H](Sc2nc3ccc(cc3s2)[*:1])C(=O)N1c1ccc(F)cc1F
COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1F Fc1ccc(cc1)[*:1] COc1ccc(cc1F)C[NH2+]Cc1c(C)nn(c1C)[*:1]
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)CC[C@H]2C)ccc1F C=CC[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(F)c(c1)S(=O)(=O)N[*:1]
C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)CC[C@H]2C)ccc1F C=CCNS(=O)(=O)[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(F)c(c1)[*:1]
CCC(=O)Nc1nc2ccc(NC(=O)N[C@@H](C)CC)cc2s1 CC[C@H](C)[*:1] CCC(=O)Nc1nc2ccc(cc2s1)NC(=O)N[*:1]
CCC(=O)Nc1nc2ccc(NC(=O)N[C@@H](C)CC)cc2s1 CCC(=O)N[*:1] CC[C@H](C)NC(=O)Nc1ccc2nc(sc2c1)[*:1]
O=c1/c(=C\C2=Cc3ccccc3O[C@H]2c2ccccc2)sc2nc([C@@H]3COc4ccccc4O3)nn12 c1ccc(cc1)[*:1] O=c1/c(=C\C2=Cc3ccccc3O[C@@H]2[*:1])sc2nc(nn12)[C@@H]1COc2ccccc2O1
O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(N[*:1])C(=O)c1c[nH]c2ccccc12
CN(CCOc1ccc(CC#N)cc1)Cc1ccc(Cl)nc1 N#CC[*:1] CN(CCOc1ccc(cc1)[*:1])Cc1ccc(Cl)nc1
CN(CCOc1ccc(CC#N)cc1)Cc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CN(CCOc1ccc(cc1)CC#N)C[*:1]
COc1ccccc1CN(C1CC1)S(=O)(=O)c1cccc(-n2cnnn2)c1 COc1ccccc1C[*:1] O=S(=O)(c1cccc(c1)-n1cnnn1)N(C1CC1)[*:1]
COc1ccccc1CN(C1CC1)S(=O)(=O)c1cccc(-n2cnnn2)c1 COc1ccccc1[*:1] O=S(=O)(c1cccc(c1)-n1cnnn1)N(C[*:1])C1CC1
COc1ccccc1CN(C1CC1)S(=O)(=O)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] COc1ccccc1CN(C1CC1)S(=O)(=O)c1cccc(c1)[*:1]
COc1ccccc1CN(C1CC1)S(=O)(=O)c1cccc(-n2cnnn2)c1 C1CC1[*:1] COc1ccccc1CN(S(=O)(=O)c1cccc(c1)-n1cnnn1)[*:1]
Cc1ccc([C@H](C)[NH2+]Cc2cn[nH]c2)cc1F c1n[nH]cc1[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+]C[*:1]
CO[C@H](C(=O)Nc1ccnc2ccnn12)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)Nc1ccnc2ccnn12)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C1)C[*:1]
C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(CCCc1cccs1)Nc1cccc(C(=O)Nc2nccs2)c1 c1csc(c1)C[*:1] O=C(CC[*:1])Nc1cccc(c1)C(=O)Nc1nccs1
O=C(CCCc1cccs1)Nc1cccc(C(=O)Nc2nccs2)c1 c1csc(c1)CC[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)Nc1nccs1
O=C(CCCc1cccs1)Nc1cccc(C(=O)Nc2nccs2)c1 O=C(Nc1nccs1)[*:1] O=C(CCCc1cccs1)Nc1cccc(c1)[*:1]
O=C(CCCc1cccs1)Nc1cccc(C(=O)Nc2nccs2)c1 c1csc(c1)[*:1] O=C(CCC[*:1])Nc1cccc(c1)C(=O)Nc1nccs1
O=C(CCCc1cccs1)Nc1cccc(C(=O)Nc2nccs2)c1 c1csc(c1)CCC[*:1] O=C(Nc1nccs1)c1cccc(c1)NC(=O)[*:1]
O=C(CCCc1cccs1)Nc1cccc(C(=O)Nc2nccs2)c1 c1csc(n1)[*:1] O=C(CCCc1cccs1)Nc1cccc(c1)C(=O)N[*:1]
O=C(CCc1cc2ccccc2[nH]1)N/N=C\c1ccncc1 c1cc(ccn1)[*:1] O=C(CCc1cc2ccccc2[nH]1)NN=C[*:1]
NC(=O)NN(CC(=O)[O-])CC(=O)[O-] O=C([O-])[*:1] NC(=O)NN(CC(=O)[O-])C[*:1]
NC(=O)NN(CC(=O)[O-])CC(=O)[O-] O=C([O-])C[*:1] NC(=O)NN(CC(=O)[O-])[*:1]
O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)CCCc1ccccn1 c1ccc(C[*:1])nc1 O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)CC[*:1]
O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)CCCc1ccccn1 Fc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CSCN1C(=O)CCCc1ccccn1
O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)CCCc1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)CCC[*:1]
O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)CCCc1ccccn1 c1ccc(CC[*:1])nc1 O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)C[*:1]
CCCNC(=O)[C@H](C)NC(=O)c1ccc(-n2cccc2)cc1 CCCNC(=O)[*:1] C[C@H](NC(=O)c1ccc(cc1)-n1cccc1)[*:1]
CCCNC(=O)[C@H](C)NC(=O)c1ccc(-n2cccc2)cc1 CCC[*:1] C[C@H](NC(=O)c1ccc(cc1)-n1cccc1)C(=O)N[*:1]
CCCNC(=O)[C@H](C)NC(=O)c1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] CCCNC(=O)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
COc1ccc2c(c1)CCCN2C(=O)C[NH+]1CCCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] COc1ccc2c(c1)CCCN2C(=O)C[NH+]1CCCN(CC1)C(=O)[*:1]
CCN(Cc1nccn1Cc1ccc(F)cc1)C(C)=O CCN(C(C)=O)[*:1] Fc1ccc(cc1)Cn1ccnc1C[*:1]
COC(=O)c1cc(CNC(=O)NCCn2c(C)nc3ccccc32)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)NCCn1c(C)nc2ccccc21
C[C@H]1C[C@@H]1NC(=O)NCCCC[NH+]1CCCC1 C[C@H]1C[C@H]1[*:1] O=C(NCCCC[NH+]1CCCC1)N[*:1]
CNC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CNC(=O)c1ccnc(c1)O[*:1]
CNC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CNC(=O)c1ccnc(c1)[*:1]
CNC(=O)c1ccnc(OC(C)(C)C)c1 CNC(=O)[*:1] CC(C)(C)Oc1cc(ccn1)[*:1]
N#Cc1cccc(S(=O)(=O)NCC2(c3ccc(F)cc3F)CC2)c1 Fc1ccc(c(F)c1)[*:1] N#Cc1cccc(c1)S(=O)(=O)NCC1(CC1)[*:1]
N#Cc1cccc(S(=O)(=O)NCC2(c3ccc(F)cc3F)CC2)c1 N#Cc1cccc(c1)[*:1] O=S(=O)(NCC1(CC1)c1ccc(F)cc1F)[*:1]
COc1ccc(F)c(NC(=O)c2ccc(-n3ccnc3)cc2)c1 c1cn(cn1)[*:1] COc1ccc(F)c(c1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(C[NH2+]Cc2cccnc2Oc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(C[NH2+]Cc2cccnc2O[*:1])o1
Cc1ccc(C[NH2+]Cc2cccnc2Oc2ccccc2)o1 Cc1ccc(o1)[*:1] c1ccc(cc1)Oc1ncccc1C[NH2+]C[*:1]
Cc1ccc(C[NH2+]Cc2cccnc2Oc2ccccc2)o1 c1ccc(cc1)O[*:1] Cc1ccc(C[NH2+]Cc2cccnc2[*:1])o1
Cc1ccc(C[NH2+]Cc2cccnc2Oc2ccccc2)o1 Cc1ccc(C[*:1])o1 c1ccc(cc1)Oc1ncccc1C[NH2+][*:1]
COc1ccccc1CNC(=O)Cn1nc(-c2ccco2)ccc1=O COc1ccccc1[*:1] O=C(Cn1nc(ccc1=O)-c1ccco1)NC[*:1]
COc1ccccc1CNC(=O)Cn1nc(-c2ccco2)ccc1=O c1coc(c1)[*:1] COc1ccccc1CNC(=O)Cn1nc(ccc1=O)[*:1]
COC(=O)c1c(NC(=O)c2ccc(F)nc2)sc(C)c1C Fc1ccc(cn1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C)c1C
COC(=O)c1c(NC(=O)c2ccc(F)nc2)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)c2ccc(F)nc2)c(c1C)[*:1]
Cc1ccc(C(=O)N[C@@H]2N=C3[C@H](CC[C@@H]3C(=O)NCCc3c[nH]c4ccccc34)S2)cc1 c1ccc2c(c[nH]c2c1)C[*:1] Cc1ccc(cc1)C(=O)N[C@@H]1N=C2[C@H](CC[C@@H]2C(=O)NC[*:1])S1
Cc1ccc(C(=O)N[C@@H]2N=C3[C@H](CC[C@@H]3C(=O)NCCc3c[nH]c4ccccc34)S2)cc1 Cc1ccc(cc1)C(=O)N[*:1] O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC[C@@H]2S[C@@H](N=C21)[*:1]
Cc1ccc(C(=O)N[C@@H]2N=C3[C@H](CC[C@@H]3C(=O)NCCc3c[nH]c4ccccc34)S2)cc1 c1ccc2c(c[nH]c2c1)[*:1] Cc1ccc(cc1)C(=O)N[C@@H]1N=C2[C@H](CC[C@@H]2C(=O)NCC[*:1])S1
Cc1ccc(C(=O)N[C@@H]2N=C3[C@H](CC[C@@H]3C(=O)NCCc3c[nH]c4ccccc34)S2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC[C@@H]2S[C@@H](N=C21)NC(=O)[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)N[C@@H](CO)C[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 N#Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12
C[C@H](Oc1cccc(C#N)c1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 N#Cc1cccc(c1)O[*:1] C[C@H](C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12)[*:1]
Cc1ccc(SCC(=O)N[C@H](C)C(=O)N(C)C)cc1C CN(C)C(=O)[*:1] Cc1ccc(cc1C)SCC(=O)N[C@H](C)[*:1]
N#Cc1cc(NC(=O)NCC(=O)NCc2ccccc2)ccc1F c1ccc(cc1)C[*:1] N#Cc1cc(ccc1F)NC(=O)NCC(=O)N[*:1]
N#Cc1cc(NC(=O)NCC(=O)NCc2ccccc2)ccc1F c1ccc(cc1)[*:1] N#Cc1cc(ccc1F)NC(=O)NCC(=O)NC[*:1]
C[C@H](Cn1cccn1)OC(=O)Cc1ccccc1F c1cnn(c1)C[*:1] C[C@H](OC(=O)Cc1ccccc1F)[*:1]
C[C@H](Cn1cccn1)OC(=O)Cc1ccccc1F c1cnn(c1)[*:1] C[C@H](C[*:1])OC(=O)Cc1ccccc1F
CCn1cc(C(=O)NCCn2cnc(-c3ccccc3)cc2=O)c(=O)c2ccc(C)nc21 c1ccc(cc1)[*:1] CCn1cc(C(=O)NCCn2cnc(cc2=O)[*:1])c(=O)c2ccc(C)nc21
O=C(NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccn1 Fc1cccc(Cl)c1C[*:1] O=C(NCCCc1nc2ccccc2n1[*:1])c1ccccn1
O=C(NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccn1 Fc1cccc(Cl)c1[*:1] O=C(NCCCc1nc2ccccc2n1C[*:1])c1ccccn1
O=C(NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccn1 c1ccc(nc1)[*:1] O=C(NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)[*:1]
O=C(NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccn1 O=C(NC[*:1])c1ccccn1 Fc1cccc(Cl)c1Cn1c(CC[*:1])nc2ccccc21
O=C(NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccn1 O=C(N[*:1])c1ccccn1 Fc1cccc(Cl)c1Cn1c(CCC[*:1])nc2ccccc21
O=C([O-])c1cn(C2CN(C(=O)Nc3ccsc3)C2)nn1 O=C([O-])[*:1] O=C(Nc1ccsc1)N1CC(C1)n1cc(nn1)[*:1]
O=C([O-])c1cn(C2CN(C(=O)Nc3ccsc3)C2)nn1 c1cc(cs1)[*:1] O=C([O-])c1cn(nn1)C1CN(C1)C(=O)N[*:1]
CCC[C@@H](Oc1cccc(N)c1)C(=O)c1cc(C)c(C)cc1C CCC[*:1] Cc1cc(C)c(cc1C)C(=O)[C@H](Oc1cccc(N)c1)[*:1]
CCC[C@@H](Oc1cccc(N)c1)C(=O)c1cc(C)c(C)cc1C Nc1cccc(c1)[*:1] CCC[C@@H](O[*:1])C(=O)c1cc(C)c(C)cc1C
CCn1cc(CN2CC[C@@H](NS(C)(=O)=O)C2)cn1 CS(=O)(=O)N[*:1] CCn1cc(cn1)CN1CC[C@@H](C1)[*:1]
C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc2ccccc2n1 Fc1ccc(cc1)[*:1] C[C@@H]([NH2+]CCCNC(=O)[*:1])c1ccc2ccccc2n1
Cc1nc2cc(NC(=O)C(=O)NC[C@H]3C[C@@H]3c3ccccc3)ccc2n1C c1ccc(cc1)[*:1] Cc1nc2cc(ccc2n1C)NC(=O)C(=O)NC[C@H]1C[C@H]1[*:1]
O=C(c1ccc(-n2ccnn2)cc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 c1cn(nn1)[*:1] O=C(c1ccc(cc1)[*:1])N(C1CC1)[C@H]1CCS(=O)(=O)C1
O=C(c1ccc(-n2ccnn2)cc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C(c1ccc(cc1)-n1ccnn1)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 Clc1cccc(c1)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 O=[N+]([O-])[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCN(CC1)c1cccc(Cl)c1
C[NH+](C)C(C)(C)CNC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+](C)C(C)(C)CNC(=O)N1CCCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(OCCN(C)C(=O)C[C@@H]2CCS(=O)(=O)C2)c1 Cc1cccc(c1)[*:1] CN(CCO[*:1])C(=O)C[C@@H]1CCS(=O)(=O)C1
Cn1ccc(NC(=O)c2cc3ccc(F)cc3n2C)n1 Cn1ccc(n1)[*:1] Cn1c(cc2ccc(F)cc21)C(=O)N[*:1]
CC1(C2CCN(C(=O)Nc3nncc(-c4ccccc4)n3)CC2)OCCO1 CC1(OCCO1)[*:1] O=C(Nc1nncc(n1)-c1ccccc1)N1CCC(CC1)[*:1]
CC1(C2CCN(C(=O)Nc3nncc(-c4ccccc4)n3)CC2)OCCO1 c1ccc(cc1)[*:1] CC1(OCCO1)C1CCN(CC1)C(=O)Nc1nncc(n1)[*:1]
Cc1ccc(C)c(NS(=O)(=O)c2c(C(=O)N3CCC(C)CC3)c(C)n(C)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1c(C(=O)N2CCC(C)CC2)c(c(C)n1C)S(=O)(=O)N[*:1]
Cc1ccc(C)c(NS(=O)(=O)c2c(C(=O)N3CCC(C)CC3)c(C)n(C)c2C)c1 CC1CCN(CC1)C(=O)[*:1] Cc1ccc(C)c(c1)NS(=O)(=O)c1c(c(C)n(C)c1C)[*:1]
Cc1ccccc1OC(=O)C1CCN(C(=O)c2cccs2)CC1 Cc1ccccc1[*:1] O=C(O[*:1])C1CCN(CC1)C(=O)c1cccs1
Cc1ccccc1OC(=O)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cc1ccccc1OC(=O)C1CCN(CC1)C(=O)[*:1]
COC(=O)[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C O=[N+]([O-])[*:1] COC(=O)[C@H]1CN(C[C@H]1C)C(=O)c1ccccc1[*:1]
COC(=O)[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1ccccc1[N+](=O)[O-]
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(CC1)C[*:1]
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(CC1)[*:1]
O=C(Nc1ccccc1-c1ncc[nH]1)[C@@H]1COc2ccc(F)cc2C1 c1c[nH]c(n1)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1COc2ccc(F)cc2C1
CN(CC(=O)[O-])C(=O)c1ccccn1 O=C([O-])[*:1] CN(C[*:1])C(=O)c1ccccn1
CN(CC(=O)[O-])C(=O)c1ccccn1 O=C([O-])C[*:1] CN(C(=O)c1ccccn1)[*:1]
C/C=C/c1ccc(OCC(=O)NC(C)C)c(OC)c1 CC(C)NC(=O)[*:1] C/C=C/c1ccc(OC[*:1])c(c1)OC
C/C=C/c1ccc(OCC(=O)NC(C)C)c(OC)c1 CC(C)[*:1] C/C=C/c1ccc(OCC(=O)N[*:1])c(c1)OC
C/C=C/c1ccc(OCC(=O)NC(C)C)c(OC)c1 CC=C[*:1] COc1cc(ccc1OCC(=O)NC(C)C)[*:1]
O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1Cn1nnc(-c2ccccn2)n1 c1cc2OCOc2cc1[*:1] O=C(N1CCC[C@@H]1Cn1nnc(n1)-c1ccccn1)[*:1]
O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1Cn1nnc(-c2ccccn2)n1 c1ccc(nc1)[*:1] O=C(c1ccc2OCOc2c1)N1CCC[C@@H]1Cn1nnc(n1)[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccccc2Cl)c1 Clc1ccccc1[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)CN[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccccc2Cl)c1 CN(C)S(=O)(=O)[*:1] O=C(CNc1ccccc1Cl)Nc1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccccc2Cl)c1 Clc1ccccc1N[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C[*:1]
COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCN(C(C)=O)CC1 CC(=O)N1CCC(CC1)[*:1] COC(=O)c1cc(sc1NC(=O)[*:1])-c1ccccc1
COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCN(C(C)=O)CC1 COC(=O)[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1sc(cc1[*:1])-c1ccccc1
COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCN(C(C)=O)CC1 c1ccc(cc1)[*:1] COC(=O)c1cc(sc1NC(=O)C1CCN(CC1)C(C)=O)[*:1]
CN(c1ccc(/C(N)=N/O)cc1Cl)C1CCC(C)(C)CC1 N/C(=N\O)[*:1] CN(c1ccc(cc1Cl)[*:1])C1CCC(C)(C)CC1
CC(C)CS(=O)(=O)N[C@H](C)CCCO OCC[*:1] CC(C)CS(=O)(=O)N[C@H](C)C[*:1]
CC(C)CS(=O)(=O)N[C@H](C)CCCO CC(C)[*:1] C[C@H](CCCO)NS(=O)(=O)C[*:1]
CC(C)CS(=O)(=O)N[C@H](C)CCCO CC(C)C[*:1] C[C@H](CCCO)NS(=O)(=O)[*:1]
CC(C)CS(=O)(=O)N[C@H](C)CCCO OCCC[*:1] CC(C)CS(=O)(=O)N[C@H](C)[*:1]
Cc1csc(=O)n1CCCC(=O)Nc1cc(Cl)ccc1N Cc1csc(=O)n1[*:1] Nc1ccc(Cl)cc1NC(=O)CCC[*:1]
O=C(Cc1ccc(F)c(F)c1)N1CCC([C@]2(c3cccnc3)NC(=O)N(C[C@H]3CCCO3)C2=O)CC1 c1cncc(c1)[*:1] O=C(Cc1ccc(F)c(F)c1)N1CCC(CC1)[C@@]1(NC(=O)N(C[C@H]2CCCO2)C1=O)[*:1]
O=C(Cc1ccc(F)c(F)c1)N1CCC([C@]2(c3cccnc3)NC(=O)N(C[C@H]3CCCO3)C2=O)CC1 Fc1ccc(cc1F)[*:1] O=C(C[*:1])N1CCC(CC1)[C@@]1(NC(=O)N(C[C@H]2CCCO2)C1=O)c1cccnc1
O=C(Cc1ccc(F)c(F)c1)N1CCC([C@]2(c3cccnc3)NC(=O)N(C[C@H]3CCCO3)C2=O)CC1 Fc1ccc(cc1F)C[*:1] O=C1N[C@@](C(=O)N1C[C@H]1CCCO1)(c1cccnc1)C1CCN(CC1)C(=O)[*:1]
O=C(NCc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 Fc1ccc(cc1Cl)C[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
O=C(NCc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 Fc1ccc(cc1Cl)[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
Cc1cc(C)cc(CN2CCN(C(=O)c3c4c(nn3C)CCCC4)CC2=O)c1 Cc1cc(C)cc(c1)[*:1] Cn1nc2CCCCc2c1C(=O)N1CCN(C[*:1])C(=O)C1
Cc1cc(C)cc(CN2CCN(C(=O)c3c4c(nn3C)CCCC4)CC2=O)c1 Cc1cc(C)cc(c1)C[*:1] Cn1nc2CCCCc2c1C(=O)N1CCN(C(=O)C1)[*:1]
O=S(=O)(/N=C(\[O-])c1ccccc1Cn1cncn1)C1CCCCC1 c1ncn(n1)[*:1] O=S(=O)(/N=C(\[O-])c1ccccc1C[*:1])C1CCCCC1
O=S(=O)(/N=C(\[O-])c1ccccc1Cn1cncn1)C1CCCCC1 C1CCC(CC1)[*:1] O=S(=O)(/N=C(\[O-])c1ccccc1Cn1cncn1)[*:1]
O=S(=O)(/N=C(\[O-])c1ccccc1Cn1cncn1)C1CCCCC1 c1ncn(C[*:1])n1 O=S(=O)(/N=C(\[O-])c1ccccc1[*:1])C1CCCCC1
CC[C@H](NC(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1 CS(=O)(=O)[*:1] CC[C@H](NC(=O)Nc1ccccc1[*:1])c1ccc(Cl)cc1
CC[C@H](NC(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)Nc1ccccc1S(C)(=O)=O)[*:1]
CCc1ccc([C@H](C)CC(=O)N[C@H](CO)c2ccco2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)[C@H](C)CC(=O)N[C@H](CO)[*:1]
COCC[C@@]1(C(=O)[O-])CCCN(c2cc(OC)nc(N)n2)C1 O=C([O-])[*:1] COCC[C@]1(CCCN(C1)c1cc(nc(N)n1)OC)[*:1]
COCC[C@@]1(C(=O)[O-])CCCN(c2cc(OC)nc(N)n2)C1 COCC[*:1] COc1cc(nc(N)n1)N1CCC[C@@](C1)(C(=O)[O-])[*:1]
COCC[C@@]1(C(=O)[O-])CCCN(c2cc(OC)nc(N)n2)C1 COC[*:1] COc1cc(nc(N)n1)N1CCC[C@@](C1)(C[*:1])C(=O)[O-]
C[NH+](C)CCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21 Fc1ccc(cc1)[*:1] C[NH+](C)CCNC(=O)C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
CC[C@H](CC1CC1)Nc1nc2ccc(N)cc2o1 C1CC1[*:1] CC[C@H](C[*:1])Nc1nc2ccc(N)cc2o1
CC[C@H](CC1CC1)Nc1nc2ccc(N)cc2o1 C1CC1C[*:1] CC[C@H](Nc1nc2ccc(N)cc2o1)[*:1]
C[C@H](NC(=O)NC1CC1)c1ccccc1Br C1CC1[*:1] C[C@H](NC(=O)N[*:1])c1ccccc1Br
CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 CNS(=O)(=O)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(ccc1Cl)[*:1]
CCn1nc(C)c(NC(=O)NCCOC2CCCCCC2)c1C C1CCCC(CC1)[*:1] CCn1nc(C)c(NC(=O)NCCO[*:1])c1C
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)n1 Cc1cccc(n1)NC(=O)[*:1] O=C1C[C@H](CN1c1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)n1 O=S(=O)(N1CCOCC1)[*:1] Cc1cccc(n1)NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
Cc1cc(Cl)ccc1O[C@H](C)c1n[nH]c(-c2ccc(O)cc2)n1 Oc1ccc(cc1)[*:1] Cc1cc(Cl)ccc1O[C@H](C)c1n[nH]c(n1)[*:1]
NC(=O)Cn1cc[nH+]c1C1CCN(c2ccc3ccccc3n2)CC1 NC(=O)[*:1] c1ccc2nc(ccc2c1)N1CCC(CC1)c1[nH+]ccn1C[*:1]
NC(=O)Cn1cc[nH+]c1C1CCN(c2ccc3ccccc3n2)CC1 NC(=O)C[*:1] c1ccc2nc(ccc2c1)N1CCC(CC1)c1[nH+]ccn1[*:1]
O=C(Nc1ccccc1)c1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)nn1 c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(nn1)N[C@H]1CCC[C@@H](C1)C(F)(F)F
O=C(Nc1ccccc1)c1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)nn1 FC(F)(F)[*:1] O=C(Nc1ccccc1)c1ccc(nn1)N[C@H]1CCC[C@H](C1)[*:1]
O=C(Cn1nnc(-c2cccs2)n1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 C1CCC(CC1)[*:1] O=C(Cn1nnc(n1)-c1cccs1)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(Cn1nnc(-c2cccs2)n1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] O=C(Cn1nnc(n1)[*:1])N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1
COc1ccccc1-c1csc(NC(=O)CN2CCO[C@H](C)C2)n1 COc1ccccc1[*:1] C[C@@H]1CN(CCO1)CC(=O)Nc1nc(cs1)[*:1]
CCCCC(=O)N1CCC(c2nn(C)c(=O)n2C2CC2)CC1 CCCC[*:1] Cn1nc(C2CCN(CC2)C(=O)[*:1])n(c1=O)C1CC1
CCCCC(=O)N1CCC(c2nn(C)c(=O)n2C2CC2)CC1 CCC[*:1] Cn1nc(C2CCN(CC2)C(=O)C[*:1])n(c1=O)C1CC1
CCCCC(=O)N1CCC(c2nn(C)c(=O)n2C2CC2)CC1 C1CC1[*:1] CCCCC(=O)N1CCC(CC1)c1nn(C)c(=O)n1[*:1]
CCOc1ccc(SCC(=O)NC(C)(C)CC)cc1 CCC(C)(C)[*:1] CCOc1ccc(cc1)SCC(=O)N[*:1]
CCOc1ccc(SCC(=O)NC(C)(C)CC)cc1 CCO[*:1] CCC(C)(C)NC(=O)CSc1ccc(cc1)[*:1]
c1ccc(CCN(Cc2c[nH]nc2-c2cccnc2)[C@@H]2CCOC2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)-c1n[nH]cc1CN(CC[*:1])[C@@H]1CCOC1
c1ccc(CCN(Cc2c[nH]nc2-c2cccnc2)[C@@H]2CCOC2)cc1 c1ccc(cc1)CC[*:1] c1cncc(c1)-c1n[nH]cc1CN([C@@H]1CCOC1)[*:1]
c1ccc(CCN(Cc2c[nH]nc2-c2cccnc2)[C@@H]2CCOC2)cc1 c1ccc(cc1)C[*:1] c1cncc(c1)-c1n[nH]cc1CN(C[*:1])[C@@H]1CCOC1
c1ccc(CCN(Cc2c[nH]nc2-c2cccnc2)[C@@H]2CCOC2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)CCN(Cc1c[nH]nc1[*:1])[C@@H]1CCOC1
CN(Cc1nccn1C(F)F)Cn1nc(-c2cccs2)n(C2CC2)c1=S FC(F)[*:1] CN(Cc1nccn1[*:1])Cn1nc(-c2cccs2)n(c1=S)C1CC1
CN(Cc1nccn1C(F)F)Cn1nc(-c2cccs2)n(C2CC2)c1=S c1csc(c1)[*:1] CN(Cc1nccn1C(F)F)Cn1nc(n(c1=S)C1CC1)[*:1]
CN(Cc1nccn1C(F)F)Cn1nc(-c2cccs2)n(C2CC2)c1=S C1CC1[*:1] CN(Cc1nccn1C(F)F)Cn1nc(-c2cccs2)n(c1=S)[*:1]
CN(Cc1nccn1C(F)F)Cn1nc(-c2cccs2)n(C2CC2)c1=S FC(F)n1ccnc1[*:1] CN(Cn1nc(-c2cccs2)n(c1=S)C1CC1)C[*:1]
Cc1c(C)c2cc(Cl)c(OCC(=O)NCc3ccccn3)cc2oc1=O c1ccc(C[*:1])nc1 Cc1c(C)c2cc(Cl)c(cc2oc1=O)OCC(=O)N[*:1]
Cc1c(C)c2cc(Cl)c(OCC(=O)NCc3ccccn3)cc2oc1=O c1ccc(nc1)[*:1] Cc1c(C)c2cc(Cl)c(cc2oc1=O)OCC(=O)NC[*:1]
Cc1nccn1-c1cncc(NCCN2c3ccccc3C[C@@H]2C)n1 Cc1nccn1[*:1] C[C@H]1Cc2ccccc2N1CCNc1cncc(n1)[*:1]
CCc1ccc(C2=C[C@@H](C(=O)N3CCN(c4ccc(C)cc4C)CC3)N=N2)cc1 Cc1ccc(c(C)c1)[*:1] CCc1ccc(cc1)C1=C[C@H](N=N1)C(=O)N1CCN(CC1)[*:1]
CCc1ccc(C2=C[C@@H](C(=O)N3CCN(c4ccc(C)cc4C)CC3)N=N2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)N1CCN(CC1)C(=O)[C@@H]1C=C(N=N1)[*:1]
CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)[*:1]
O=S(=O)(c1ccccc1)N(Cc1cc(-c2ccccc2)on1)c1ccncc1 c1ccc(cc1)[*:1] O=S(=O)(N(Cc1cc(on1)-c1ccccc1)c1ccncc1)[*:1]
O=S(=O)(c1ccccc1)N(Cc1cc(-c2ccccc2)on1)c1ccncc1 c1cc(ccn1)[*:1] O=S(=O)(c1ccccc1)N(Cc1cc(on1)-c1ccccc1)[*:1]
O=S(=O)(c1ccccc1)N(Cc1cc(-c2ccccc2)on1)c1ccncc1 c1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)N(Cc1cc(on1)[*:1])c1ccncc1
CCC[NH2+][C@@H](C)c1ccccc1N1CCCC[C@@H]1C CCC[*:1] C[C@H]([NH2+][*:1])c1ccccc1N1CCCC[C@@H]1C
CCc1nn(C)cc1C(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C CC(C)[*:1] CCc1nn(C)cc1C(=O)N[C@H](c1nc(no1)-c1cccnc1)[*:1]
CCc1nn(C)cc1C(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C c1cncc(c1)[*:1] CCc1nn(C)cc1C(=O)N[C@H](c1nc(no1)[*:1])C(C)C
CCc1nn(C)cc1C(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C CCc1nn(C)cc1[*:1] CC(C)[C@H](NC(=O)[*:1])c1nc(no1)-c1cccnc1
COc1cc(OC)c(NC(=O)N[C@@H](C)c2c(C)noc2C)cc1Cl Cc1noc(C)c1[*:1] COc1cc(OC)c(cc1Cl)NC(=O)N[C@@H](C)[*:1]
COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1OCc1ccc(F)cc1Cl c1ccc(cc1)[*:1] COc1cccc(/C=C(\C#N)S(=O)(=O)[*:1])c1OCc1ccc(F)cc1Cl
COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1OCc1ccc(F)cc1Cl O=S(=O)(c1ccccc1)[*:1] COc1cccc(C=C(C#N)[*:1])c1OCc1ccc(F)cc1Cl
COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1OCc1ccc(F)cc1Cl Fc1ccc(CO[*:1])c(Cl)c1 COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1[*:1]
COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1OCc1ccc(F)cc1Cl Fc1ccc(C[*:1])c(Cl)c1 COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1O[*:1]
COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1OCc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1OC[*:1]
C=CCNc1nnc(S[C@H]2CCN(CC(F)(F)F)C2=O)s1 FC(F)(F)[*:1] C=CCNc1nnc(S[C@H]2CCN(C[*:1])C2=O)s1
C=CCNc1nnc(S[C@H]2CCN(CC(F)(F)F)C2=O)s1 C=CCN[*:1] O=C1[C@H](CCN1CC(F)(F)F)Sc1nnc(s1)[*:1]
C=CCNc1nnc(S[C@H]2CCN(CC(F)(F)F)C2=O)s1 C=CC[*:1] O=C1[C@H](CCN1CC(F)(F)F)Sc1nnc(N[*:1])s1
C=CCNc1nnc(S[C@H]2CCN(CC(F)(F)F)C2=O)s1 FC(F)(F)C[*:1] C=CCNc1nnc(S[C@H]2CCN(C2=O)[*:1])s1
O=C(NCC1CCCCC1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 C1CCC(CC1)C[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NC[C@@H]1CCCO1
O=C(NCC1CCCCC1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 C1CCC(CC1)[*:1] O=C(NC[*:1])c1ccc(cc1)S(=O)(=O)NC[C@@H]1CCCO1
CCN(CCNC(=O)Cn1cc(Br)ccc1=O)c1cccc(C)c1 O=c1ccc(Br)cn1[*:1] CCN(CCNC(=O)C[*:1])c1cccc(C)c1
CCN(CCNC(=O)Cn1cc(Br)ccc1=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(CCNC(=O)Cn1cc(Br)ccc1=O)[*:1]
O=Cc1ccccc1OCC(=O)NCC[NH+]1CCc2sccc2C1 O=Cc1ccccc1[*:1] O=C(CO[*:1])NCC[NH+]1CCc2sccc2C1
C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1F Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)NS(=O)(=O)[*:1])c1ccc(F)cc1F
C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(F)cc1)[*:1]
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@@H]1O O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])N[C@@H]1CCCC[C@@H]1O
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@@H]1O O=[N+]([O-])[*:1] O=C(CN(c1ccc(cc1)[*:1])S(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@@H]1O
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@@H]1O c1ccc(cc1)[*:1] O=C(CN(c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)[*:1])N[C@@H]1CCCC[C@@H]1O
Cc1ccc(C)c(SCC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CS[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
N#CCSc1nnc(N2CCCC2)n1C1CC1 N#CC[*:1] C1CCN(C1)c1nnc(S[*:1])n1C1CC1
N#CCSc1nnc(N2CCCC2)n1C1CC1 C1CCN(C1)[*:1] N#CCSc1nnc(n1C1CC1)[*:1]
N#CCSc1nnc(N2CCCC2)n1C1CC1 C1CC1[*:1] N#CCSc1nnc(N2CCCC2)n1[*:1]
N#CCSc1nnc(N2CCCC2)n1C1CC1 N#CCS[*:1] C1CCN(C1)c1nnc(n1C1CC1)[*:1]
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCCOCCOCC2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)N1CCOCCOCCOCC1)[*:1]
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCCOCCOCC2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H](NS(=O)(=O)[*:1])C(=O)N1CCOCCOCCOCC1
COC(=O)c1n[nH]c2cc(C)ccc12 COC(=O)[*:1] Cc1ccc2c(n[nH]c2c1)[*:1]
CC(C)c1nnc(NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)s1 CC(C)[*:1] C[C@]1(NC(=O)NC1=O)c1cccc(c1)C(=O)Nc1nnc(s1)[*:1]
CC(C)c1nnc(NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)s1 CC(C)c1nnc(s1)[*:1] C[C@]1(NC(=O)NC1=O)c1cccc(c1)C(=O)N[*:1]
CO[C@@H](C)c1noc(CN2CC[NH+]([C@H](C)c3ccccc3F)CC2)n1 Fc1ccccc1[*:1] CO[C@@H](C)c1noc(CN2CC[NH+](CC2)[C@H](C)[*:1])n1
CO[C@@H](C)c1noc(CN2CC[NH+]([C@H](C)c3ccccc3F)CC2)n1 CO[C@@H](C)[*:1] C[C@H](c1ccccc1F)[NH+]1CCN(CC1)Cc1nc(no1)[*:1]
CO[C@H](C)c1nc(C)c(C(=O)NCc2csc(=O)[nH]2)s1 CO[C@H](C)[*:1] Cc1nc(sc1C(=O)NCc1csc(=O)[nH]1)[*:1]
CO[C@H](C)c1nc(C)c(C(=O)NCc2csc(=O)[nH]2)s1 O=c1[nH]c(cs1)[*:1] CO[C@H](C)c1nc(C)c(s1)C(=O)NC[*:1]
Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CCO[C@@H](C)C1 Cc1ncsc1[*:1] C[C@H]1CN(CCO1)C(=O)Cn1c(nc2ccccc21)[*:1]
Cc1cc(NC(=O)NCc2cccc(CN3CCOCC3)c2)c2ncccc2c1 C1CN(CCO1)[*:1] Cc1cc(NC(=O)NCc2cccc(c2)C[*:1])c2ncccc2c1
Cc1cc(NC(=O)NCc2cccc(CN3CCOCC3)c2)c2ncccc2c1 C1CN(CCO1)C[*:1] Cc1cc(NC(=O)NCc2cccc(c2)[*:1])c2ncccc2c1
CC[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)c1ccc(C)cc1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)N[C@H](CS(C)(=O)=O)[*:1])c1ccc(C)cc1
CC[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)[*:1]
CC[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)c1ccc(C)cc1 CS(=O)(=O)C[*:1] CC[C@H](NC(=O)N[C@H](c1ccccc1)[*:1])c1ccc(C)cc1
CC[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)c1ccc(C)cc1 CS(=O)(=O)[*:1] CC[C@H](NC(=O)N[C@H](C[*:1])c1ccccc1)c1ccc(C)cc1
Cc1ccc(Br)cc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])[*:1] Cc1ccc(Br)cc1C(=O)N1CCO[C@@H](C1)C[*:1]
Cc1ccc(Br)cc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])C[*:1] Cc1ccc(Br)cc1C(=O)N1CCO[C@H](C1)[*:1]
COc1cccc(NC(=S)N2CCC(NC(=O)c3cccc(F)c3)CC2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)NC(=S)N1CCC(CC1)NC(=O)[*:1]
COc1cccc(NC(=S)N2CCC(NC(=O)c3cccc(F)c3)CC2)c1 COc1cccc(c1)[*:1] O=C(NC1CCN(CC1)C(=S)N[*:1])c1cccc(F)c1
COCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)N1CCOCC1 COCC[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)CN(C(=O)N1CCOCC1)[*:1]
COCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)N1CCOCC1 COC[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)CN(C[*:1])C(=O)N1CCOCC1
CCOC(=O)[C@@H]1CCCN(c2c(N3CCC(C)CC3)c(=O)c2=O)C1 CC1CCN(CC1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)c1c(c(=O)c1=O)[*:1]
CCOC(=O)[C@@H]1CCCN(c2c(N3CCC(C)CC3)c(=O)c2=O)C1 CCOC(=O)[*:1] CC1CCN(CC1)c1c(c(=O)c1=O)N1CCC[C@H](C1)[*:1]
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NN=C(c1ccccc1)c1ccccc1 O=S(=O)(N[*:1])c1cccs1 C[C@@H](C(=O)NN=C(c1ccccc1)c1ccccc1)[*:1]
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NN=C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NN=C(c1ccccc1)[*:1]
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NN=C(c1ccccc1)c1ccccc1 c1csc(c1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)NN=C(c1ccccc1)c1ccccc1
Cc1cc(N/C=C\c2nnnn2-c2ccc(F)cc2)on1 Cc1cc(on1)[*:1] Fc1ccc(cc1)-n1nnnc1/C=C\N[*:1]
Cc1cc(N/C=C\c2nnnn2-c2ccc(F)cc2)on1 Fc1ccc(cc1)[*:1] Cc1cc(N/C=C\c2nnnn2[*:1])on1
Cc1cc(N/C=C\c2nnnn2-c2ccc(F)cc2)on1 Cc1cc(N[*:1])on1 Fc1ccc(cc1)-n1nnnc1C=C[*:1]
COc1ccc(Cl)cc1CN(C)C(=O)CCC(=O)NC1CCCC1 C1CCC(C1)[*:1] COc1ccc(Cl)cc1CN(C)C(=O)CCC(=O)N[*:1]
COc1ccc(Cl)cc1CN(C)C(=O)CCC(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] COc1ccc(Cl)cc1CN(C)C(=O)CC[*:1]
Cc1ccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)c1cccc(c1NC(=O)C=C[*:1])C(C)C
Cc1ccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 CC(C)[*:1] Cc1ccc(/C=C/C(=O)Nc2c(cccc2[*:1])C(C)C)cc1
C[C@H]1CCCN(c2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2N)C1 C[C@H]1CCCN(C1)[*:1] Nc1c(ncnc1[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
C[C@H]1CCCN(c2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2N)C1 FC(F)(F)[*:1] C[C@H]1CCCN(C1)c1ncnc(Nc2ccc(Cl)c(c2)[*:1])c1N
Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1nc2[C@H](CCCn2n1)N[C@@H](C)c1ccc(C)c(c1)[*:1]
CN(CCS(C)(=O)=O)[C@H]1CCCCC[C@@H]1C#N CS(=O)(=O)C[*:1] CN(C[*:1])[C@H]1CCCCC[C@@H]1C#N
CN(CCS(C)(=O)=O)[C@H]1CCCCC[C@@H]1C#N CS(=O)(=O)[*:1] CN(CC[*:1])[C@H]1CCCCC[C@@H]1C#N
CCOc1ccc(N)c(SCc2noc(C3CC3)n2)c1 C1CC1[*:1] CCOc1ccc(N)c(c1)SCc1noc(n1)[*:1]
CCOc1ccc(N)c(SCc2noc(C3CC3)n2)c1 CCO[*:1] Nc1ccc(cc1SCc1noc(n1)C1CC1)[*:1]
CNC(=O)COC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 CNC(=O)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)OC[*:1]
CNC(=O)COC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 CNC(=O)C[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)O[*:1]
CC(C)S(=O)(=O)c1cccc(C(=O)/N=c2\sc3ccc([N+](=O)[O-])cc3n2C)c1 CC(C)S(=O)(=O)[*:1] Cn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2ccc(cc21)[N+](=O)[O-]
CC(C)S(=O)(=O)c1cccc(C(=O)/N=c2\sc3ccc([N+](=O)[O-])cc3n2C)c1 CC(C)[*:1] Cn1/c(=N/C(=O)c2cccc(c2)S(=O)(=O)[*:1])sc2ccc(cc21)[N+](=O)[O-]
CC(C)S(=O)(=O)c1cccc(C(=O)/N=c2\sc3ccc([N+](=O)[O-])cc3n2C)c1 O=[N+]([O-])[*:1] CC(C)S(=O)(=O)c1cccc(c1)C(=O)/N=c1\sc2ccc(cc2n1C)[*:1]
CCC(=O)Nc1ccc([C@@H](C)NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1 Fc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)[C@@H](C)NC(=O)Cc1c(C)nn(c1C)[*:1]
CCC(=O)Nc1ccc([C@@H](C)NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1 CCC(=O)N[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H](C)c1ccc(cc1)[*:1]
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)cc1Cl FC(F)[*:1] N#Cc1ccc(cc1Cl)NC(=O)CSc1nnc(o1)-c1ccc(cc1)O[*:1]
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)cc1Cl N#Cc1ccc(cc1Cl)[*:1] O=C(CSc1nnc(o1)-c1ccc(cc1)OC(F)F)N[*:1]
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)cc1Cl FC(F)O[*:1] N#Cc1ccc(cc1Cl)NC(=O)CSc1nnc(o1)-c1ccc(cc1)[*:1]
Cc1cc([C@@H](C)[NH2+]Cc2cccc(C3CC3)c2)c(C)s1 C1CC1[*:1] Cc1cc(c(C)s1)[C@@H](C)[NH2+]Cc1cccc(c1)[*:1]
C#Cc1cccc(NC(=O)NCCCCCC)c1 CCCC[*:1] C#Cc1cccc(c1)NC(=O)NCC[*:1]
C#Cc1cccc(NC(=O)NCCCCCC)c1 CCCCC[*:1] C#Cc1cccc(c1)NC(=O)NC[*:1]
C#Cc1cccc(NC(=O)NCCCCCC)c1 CCCCCC[*:1] C#Cc1cccc(c1)NC(=O)N[*:1]
C#Cc1cccc(NC(=O)NCCCCCC)c1 CCC[*:1] C#Cc1cccc(c1)NC(=O)NCCC[*:1]
COCCc1ccc(OS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 COC[*:1] O=S(=O)(Oc1ccc(cc1)C[*:1])c1ccc2CCCCc2c1
COCCc1ccc(OS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 COCC[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccc2CCCCc2c1
Cc1csc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] Cc1csc(CS(=O)(=O)[C@@H](C)C(=O)N[*:1])n1
Cc1csc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cccc(Cl)c2)n1 Cc1csc(n1)[*:1] C[C@@H](C(=O)Nc1cccc(Cl)c1)S(=O)(=O)C[*:1]
Cc1csc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cccc(Cl)c2)n1 Cc1csc(C[*:1])n1 C[C@@H](C(=O)Nc1cccc(Cl)c1)S(=O)(=O)[*:1]
O=C(COc1ccc(Cl)cc1)NNC(=S)Nc1cccc(Cl)c1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=S)Nc1cccc(Cl)c1
O=C(COc1ccc(Cl)cc1)NNC(=S)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(COc1ccc(Cl)cc1)NNC(=S)N[*:1]
Cc1ccccc1COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 Cc1ccccc1C[*:1] Cc1nn(-c2ccc(cc2)C(=O)O[*:1])c(C)c1Cl
Cc1ccccc1COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 Cc1ccccc1[*:1] Cc1nn(-c2ccc(cc2)C(=O)OC[*:1])c(C)c1Cl
Cc1ccccc1COC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 Cc1nn(c(C)c1Cl)[*:1] Cc1ccccc1COC(=O)c1ccc(cc1)[*:1]
CN(C(=O)Cc1ccc(Br)s1)[C@H]1CCc2ccccc21 Brc1ccc(s1)[*:1] CN(C(=O)C[*:1])[C@H]1CCc2ccccc21
COC[C@@H]1CN(CCC(=O)N2CCC[C@H]2C)CCO1 COC[*:1] C[C@@H]1CCCN1C(=O)CCN1CCO[C@@H](C1)[*:1]
CCc1nc(-c2cc(NC(=O)c3cccc(Cl)c3)c(C)s2)no1 CCc1nc(no1)[*:1] Cc1sc(cc1NC(=O)c1cccc(Cl)c1)[*:1]
CCc1nc(-c2cc(NC(=O)c3cccc(Cl)c3)c(C)s2)no1 Clc1cccc(c1)[*:1] CCc1nc(no1)-c1cc(NC(=O)[*:1])c(C)s1
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc3c(Br)cccc3s2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc2c(Br)cccc2s1)[C@@H]1CCCN1S(=O)(=O)[*:1]
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COC(=O)Nc1ccc(CNC(=O)NC[C@@H]2CC=CCC2)cc1 COC(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])NC[C@@H]1CC=CCC1
C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccccc2F)c1 Fc1ccccc1[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)C(=O)N[*:1]
CC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1I c1ccc(cc1)C[*:1] CC(=O)COc1ccc2c(C)c(c(=O)oc2c1I)[*:1]
CC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1I c1ccc(cc1)[*:1] CC(=O)COc1ccc2c(C)c(C[*:1])c(=O)oc2c1I
CC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1I CC(=O)[*:1] Cc1c(Cc2ccccc2)c(=O)oc2c(I)c(ccc12)OC[*:1]
CC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1I CC(=O)C[*:1] Cc1c(Cc2ccccc2)c(=O)oc2c(I)c(ccc12)O[*:1]
CC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1I CC(=O)CO[*:1] Cc1c(Cc2ccccc2)c(=O)oc2c(I)c(ccc12)[*:1]
COc1ccc(CN2CCN(C(=O)c3ccccc3C)CCC2=O)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)CN1CCN(CCC1=O)C(=O)[*:1]
COc1ccc(CN2CCN(C(=O)c3ccccc3C)CCC2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N1CCC(=O)N(CC1)C[*:1]
Cc1nc(-c2cccc(CNC(=O)[C@H]3Cc4cc(C)c(C)cc4O3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NCc1cccc(c1)[*:1]
C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)[C@H](C)c1ccccn1 FC(F)(F)[*:1] C[NH2+][C@H](c1ccc(cc1)[*:1])[C@H](C)c1ccccn1
C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] C[NH2+][C@H](c1ccc(cc1)C(F)(F)F)[C@H](C)[*:1]
Cc1ccc(N2CCCN(Cc3ccc(C(=O)N(C)C)[nH]3)CC2)nn1 Cc1ccc(nn1)[*:1] CN(C)C(=O)c1ccc(CN2CCCN(CC2)[*:1])[nH]1
Cc1ccc(N2CCCN(Cc3ccc(C(=O)N(C)C)[nH]3)CC2)nn1 CN(C)C(=O)[*:1] Cc1ccc(nn1)N1CCCN(CC1)Cc1ccc([nH]1)[*:1]
COc1ccc(Br)c(C(=O)Nc2cc(Cl)ccc2N(C)C)c1 CN(C)[*:1] COc1ccc(Br)c(c1)C(=O)Nc1cc(Cl)ccc1[*:1]
O=C(NCC1(O)CCSCC1)Nc1ccn(-c2ncccc2Cl)n1 OC1(CCSCC1)C[*:1] O=C(Nc1ccn(n1)-c1ncccc1Cl)N[*:1]
O=C(NCC1(O)CCSCC1)Nc1ccn(-c2ncccc2Cl)n1 OC1(CCSCC1)[*:1] O=C(NC[*:1])Nc1ccn(n1)-c1ncccc1Cl
O=C(NCC1(O)CCSCC1)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] O=C(NCC1(O)CCSCC1)Nc1ccn(n1)[*:1]
CC(=O)c1c[nH]c(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1 C1CO[C@@H](C1)CN[*:1] CC(=O)c1c[nH]c(c1)C(=O)Nc1ccc(c(F)c1)[*:1]
CC(=O)c1c[nH]c(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1 C1CO[C@@H](C1)[*:1] CC(=O)c1c[nH]c(c1)C(=O)Nc1ccc(NC[*:1])c(F)c1
CC(=O)c1c[nH]c(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1 CC(=O)c1c[nH]c(c1)[*:1] O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)[*:1]
CC(=O)c1c[nH]c(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1 CC(=O)[*:1] O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc(c[nH]1)[*:1]
Cl/C=C(/Cl)CN1CCC[C@H](c2nncn2C2CC2)C1 C1CC1[*:1] Cl/C=C(/Cl)CN1CCC[C@@H](C1)c1nncn1[*:1]
Cl/C=C(/Cl)CN1CCC[C@H](c2nncn2C2CC2)C1 Cl/C=C(/Cl)C[*:1] c1nnc([C@H]2CCCN(C2)[*:1])n1C1CC1
Cl/C=C(/Cl)CN1CCC[C@H](c2nncn2C2CC2)C1 Cl/C=C(/Cl)[*:1] c1nnc([C@H]2CCCN(C2)C[*:1])n1C1CC1
CC[C@@H]1[C@@H](C(=O)[O-])CCCN1C(=O)OCc1ccccc1 O=C([O-])[*:1] CC[C@@H]1[C@@H](CCCN1C(=O)OCc1ccccc1)[*:1]
CC[C@@H]1[C@@H](C(=O)[O-])CCCN1C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H]1[C@H](CCCN1C(=O)O[*:1])C(=O)[O-]
CC[C@@H]1[C@@H](C(=O)[O-])CCCN1C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1[C@H](CCCN1C(=O)OC[*:1])C(=O)[O-]
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)CC2=O)cc1 CC(C)NS(=O)(=O)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)CC2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)c(OC)c1 Fc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)-n1nnnc1SCC(=O)N[*:1]
COc1ccc(C(=O)N2CCOCC2)cc1/N=C/c1ccccc1O Oc1ccccc1[*:1] COc1ccc(cc1N=C[*:1])C(=O)N1CCOCC1
COc1ccc(C(=O)N2CCOCC2)cc1/N=C/c1ccccc1O O=C(N1CCOCC1)[*:1] COc1ccc(cc1/N=C/c1ccccc1O)[*:1]
CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2cccc(OC)c2)CC1 COc1cccc(c1)[*:1] CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(CC1)[*:1]
CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2cccc(OC)c2)CC1 CCOC(=O)[*:1] COc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1c(sc2ccccc12)[*:1]
COc1ccccc1/C=C/C[NH+](C)CC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] COc1ccccc1/C=C/C[NH+](C)CC(C)(C)[*:1]
COc1ccccc1/C=C/C[NH+](C)CC(C)(C)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] COc1ccccc1/C=C/C[NH+](C)C[*:1]
CNC(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1Cl Clc1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)N1CCO[C@H](C1)[*:1]
CNC(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1Cl CNC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])N1CCO[C@@H](C1)c1ccc(Cl)cc1
CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCOCC1 O=[N+]([O-])[*:1] CN(C(=O)c1ccn(n1)-c1cccc(c1)[*:1])C1CCOCC1
CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)c1ccn(n1)-c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] Cc1cc(C)c(C#N)c(n1)S[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](C)SC[C@@H]([NH3+])c1ccc(Cl)s1 CC[C@H](C)[*:1] [NH3+][C@H](CS[*:1])c1ccc(Cl)s1
CCN(CCNC(=O)N(C)C1CCOCC1)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(CCNC(=O)N(C)C1CCOCC1)[*:1]
CCN(CCNC(=O)N(C)C1CCOCC1)c1cccc(C)c1 C1CC(CCO1)[*:1] CCN(CCNC(=O)N(C)[*:1])c1cccc(C)c1
Cc1nc(N(C)C)nc(N2CCC([NH+]3CCCCC3)CC2)c1C CN(C)[*:1] Cc1nc(nc(c1C)N1CCC(CC1)[NH+]1CCCCC1)[*:1]
C[C@@H](Br)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C C[C@@H](Br)[*:1] Cn1c(=O)c2c(nc(Br)n2C[*:1])n(C)c1=O
C[C@@H](Br)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C C[C@@H](Br)C[*:1] Cn1c(=O)c2c(nc(Br)n2[*:1])n(C)c1=O
CN(C)C(=O)COc1cccc(NC(=O)/C=C/c2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)COc1cccc(c1)NC(=O)C=C[*:1]
CN(C)C(=O)COc1cccc(NC(=O)/C=C/c2ccccc2)c1 C(=C[*:1])c1ccccc1 CN(C)C(=O)COc1cccc(c1)NC(=O)[*:1]
CN(C)C(=O)COc1cccc(NC(=O)/C=C/c2ccccc2)c1 CN(C)C(=O)CO[*:1] O=C(/C=C/c1ccccc1)Nc1cccc(c1)[*:1]
CN(C)C(=O)COc1cccc(NC(=O)/C=C/c2ccccc2)c1 CN(C)C(=O)[*:1] O=C(/C=C/c1ccccc1)Nc1cccc(c1)OC[*:1]
CN(C)C(=O)COc1cccc(NC(=O)/C=C/c2ccccc2)c1 CN(C)C(=O)C[*:1] O=C(/C=C/c1ccccc1)Nc1cccc(c1)O[*:1]
CCc1ccc2c(c1)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 NC(=O)[*:1] CCc1ccc2NC(=O)[C@]3(N[C@@H](CC[*:1])[C@H]4C(=O)N(Cc5ccc6OCOc6c5)C(=O)[C@H]43)c2c1
CCc1ccc2c(c1)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 c1cc2OCOc2cc1C[*:1] CCc1ccc2NC(=O)[C@]3(N[C@@H](CCC(N)=O)[C@H]4C(=O)N(C(=O)[C@H]43)[*:1])c2c1
CCc1ccc2c(c1)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 NC(=O)C[*:1] CCc1ccc2NC(=O)[C@]3(N[C@@H](C[*:1])[C@H]4C(=O)N(Cc5ccc6OCOc6c5)C(=O)[C@H]43)c2c1
CCc1ccc2c(c1)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 c1cc2OCOc2cc1[*:1] CCc1ccc2NC(=O)[C@]3(N[C@@H](CCC(N)=O)[C@H]4C(=O)N(C[*:1])C(=O)[C@H]43)c2c1
CCc1ccc2c(c1)[C@@]1(N[C@@H](CCC(N)=O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 NC(=O)CC[*:1] CCc1ccc2NC(=O)[C@]3(N[C@@H]([C@H]4C(=O)N(Cc5ccc6OCOc6c5)C(=O)[C@H]43)[*:1])c2c1
Cc1ccc(C)c(NC(=O)CSc2ncc(CO)n2Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1ncc(CO)n1C[*:1]
Cc1ccc(C)c(NC(=O)CSc2ncc(CO)n2Cc2ccc(Cl)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1ncc(CO)n1Cc1ccc(Cl)cc1)N[*:1]
Cc1ccc(C)c(NC(=O)CSc2ncc(CO)n2Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1ncc(CO)n1[*:1]
CCN(C(=O)CS(=O)(=O)c1ccc(COC)cc1)C1CCCCC1 COC[*:1] CCN(C(=O)CS(=O)(=O)c1ccc(cc1)[*:1])C1CCCCC1
CCN(C(=O)CS(=O)(=O)c1ccc(COC)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)CS(=O)(=O)c1ccc(cc1)COC)[*:1]
CCOc1ccccc1NC(=O)NCCn1c(C)nc2ccccc21 CCO[*:1] Cc1nc2ccccc2n1CCNC(=O)Nc1ccccc1[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)c2sc(CC)nc2C)CC1 CCOC[C@@H](O)[*:1] CCc1nc(C)c(s1)C(=O)N1CCN(CC1)C[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)c2sc(CC)nc2C)CC1 CCO[*:1] CCc1nc(C)c(s1)C(=O)N1CCN(CC1)C[C@H](O)C[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)c2sc(CC)nc2C)CC1 CCOC[*:1] CCc1nc(C)c(s1)C(=O)N1CCN(CC1)C[C@H](O)[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)c2sc(CC)nc2C)CC1 CCOC[C@@H](O)C[*:1] CCc1nc(C)c(s1)C(=O)N1CCN(CC1)[*:1]
CCc1cnc(CN(C)C(=O)c2ccc(=O)n(CC)n2)s1 CCc1cnc(s1)[*:1] CCn1nc(ccc1=O)C(=O)N(C)C[*:1]
OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccc(F)cc1 c1ccc(cc1)[*:1] OCC[C@@H]1CN(CCN1Cc1ccc(F)cc1)Cc1c[nH]nc1[*:1]
OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] OCC[C@@H]1CN(CCN1[*:1])Cc1c[nH]nc1-c1ccccc1
OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccc(F)cc1 OCC[*:1] Fc1ccc(cc1)CN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1[*:1]
OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] OCC[C@@H]1CN(CCN1C[*:1])Cc1c[nH]nc1-c1ccccc1
CC(=O)N(C)c1cccc(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 CC(C)C[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)NC[C@H]1CN(CCO1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 CC(=O)N(C)[*:1] CC(C)CN1CCO[C@@H](CNC(=O)Nc2cccc(c2)[*:1])C1
CC(=O)N(C)c1cccc(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 CC(C)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)NC[C@H]1CN(CCO1)C[*:1]
Cn1cccc1[C@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cn1cccc1[C@H]1CCCCN1C(=O)Nc1ccc(cc1)[*:1]
Cn1cccc1[C@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 Cn1cccc1[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)N1CCCC[C@@H]1[*:1]
Cc1cccc(CN(C(=O)Nc2cccnc2-n2cccn2)C2CC2)c1 Cc1cccc(c1)[*:1] O=C(Nc1cccnc1-n1cccn1)N(C[*:1])C1CC1
Cc1cccc(CN(C(=O)Nc2cccnc2-n2cccn2)C2CC2)c1 Cc1cccc(c1)C[*:1] O=C(Nc1cccnc1-n1cccn1)N(C1CC1)[*:1]
Cc1cccc(CN(C(=O)Nc2cccnc2-n2cccn2)C2CC2)c1 c1cnn(c1)[*:1] Cc1cccc(c1)CN(C(=O)Nc1cccnc1[*:1])C1CC1
Cc1cccc(CN(C(=O)Nc2cccnc2-n2cccn2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(C(=O)Nc1cccnc1-n1cccn1)[*:1]
CC[C@H](C)NC(=S)NNC(=O)c1ccncc1 CC[C@H](C)[*:1] O=C(NNC(=S)N[*:1])c1ccncc1
O=C(c1ccccc1Oc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1O[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(c1ccccc1Oc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)O[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)c1cccc[nH+]1
C[C@@H](CCO)CNC(=O)[C@H]1CCO[C@@H]1C C[C@@H](CCO)[*:1] C[C@H]1OCC[C@@H]1C(=O)NC[*:1]
C[C@@H](CCO)CNC(=O)[C@H]1CCO[C@@H]1C OCC[*:1] C[C@@H](CNC(=O)[C@H]1CCO[C@@H]1C)[*:1]
Cc1ccc2[nH]cc(CCC(=O)N(CC(C)C)C3CC3)c2c1 CC(C)[*:1] Cc1ccc2[nH]cc(CCC(=O)N(C[*:1])C3CC3)c2c1
Cc1ccc2[nH]cc(CCC(=O)N(CC(C)C)C3CC3)c2c1 CC(C)C[*:1] Cc1ccc2[nH]cc(CCC(=O)N(C3CC3)[*:1])c2c1
Cc1ccc2[nH]cc(CCC(=O)N(CC(C)C)C3CC3)c2c1 C1CC1[*:1] Cc1ccc2[nH]cc(CCC(=O)N(CC(C)C)[*:1])c2c1
O=C(NCc1ccc(-n2cncn2)cc1)Nc1ccccc1-n1cccn1 c1ncn(n1)[*:1] O=C(NCc1ccc(cc1)[*:1])Nc1ccccc1-n1cccn1
O=C(NCc1ccc(-n2cncn2)cc1)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] O=C(NCc1ccc(cc1)-n1cncn1)Nc1ccccc1[*:1]
O[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2)[C@H]2CO[C@H](O2)[C@@H]1Sc1ccccc1 Fc1ccc(cc1)C[*:1] O[C@H]1[C@H]([NH2+][*:1])[C@H]2CO[C@H](O2)[C@@H]1Sc1ccccc1
O[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2)[C@H]2CO[C@H](O2)[C@@H]1Sc1ccccc1 c1ccc(cc1)[*:1] O[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2)[C@H]2CO[C@H](O2)[C@@H]1S[*:1]
O[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2)[C@H]2CO[C@H](O2)[C@@H]1Sc1ccccc1 c1ccc(cc1)S[*:1] O[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2)[C@H]2CO[C@H](O2)[C@H]1[*:1]
O[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2)[C@H]2CO[C@H](O2)[C@@H]1Sc1ccccc1 Fc1ccc(cc1)[*:1] O[C@H]1[C@H]([NH2+]C[*:1])[C@H]2CO[C@H](O2)[C@@H]1Sc1ccccc1
O=C(OCCN1CCCC1=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 O=C1CCCN1CC[*:1] O=C(O[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1
O=C(OCCN1CCCC1=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(OCCN1CCCC1=O)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(OCCN1CCCC1=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 O=C1CCCN1C[*:1] O=C(OC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1
O=C(OCCN1CCCC1=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 O=C1CCCN1[*:1] O=C(OCC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1
CC(C)c1nc(CNC(=O)Cc2cccc(OCC#N)c2)cs1 CC(C)[*:1] N#CCOc1cccc(c1)CC(=O)NCc1csc(n1)[*:1]
CC(C)c1nc(CNC(=O)Cc2cccc(OCC#N)c2)cs1 N#CCO[*:1] CC(C)c1nc(cs1)CNC(=O)Cc1cccc(c1)[*:1]
CC(C)c1nc(CNC(=O)Cc2cccc(OCC#N)c2)cs1 N#CC[*:1] CC(C)c1nc(cs1)CNC(=O)Cc1cccc(c1)O[*:1]
CC(C)CCNC(=O)CNc1ccc(F)cc1I CC(C)C[*:1] O=C(CNc1ccc(F)cc1I)NC[*:1]
CC(C)CCNC(=O)CNc1ccc(F)cc1I CC(C)CC[*:1] O=C(CNc1ccc(F)cc1I)N[*:1]
CC(C)CCNC(=O)CNc1ccc(F)cc1I CC(C)[*:1] O=C(CNc1ccc(F)cc1I)NCC[*:1]
CCn1nccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 CCn1nccc1[*:1] Cc1ccc2nc(sc2c1)-c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 CC(C)(C)[*:1] Cc1ccc(/C=N/NC(=O)c2cc(n[nH]2)[*:1])cc1
Cc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)c1cc([nH]n1)C(=O)NN=C[*:1]
C[C@@H](NC(=O)NCC1(c2ccccc2F)CC1)c1nnc2ccccn12 Fc1ccccc1[*:1] C[C@@H](NC(=O)NCC1(CC1)[*:1])c1nnc2ccccn12
CCCC[C@H](CC)C(=O)N1CCN(C(=O)Cc2ccccn2)CC1 CCC[*:1] CC[C@@H](C[*:1])C(=O)N1CCN(CC1)C(=O)Cc1ccccn1
CCCC[C@H](CC)C(=O)N1CCN(C(=O)Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CCCC[C@H](CC)C(=O)N1CCN(CC1)C(=O)C[*:1]
CCCC[C@H](CC)C(=O)N1CCN(C(=O)Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 CCCC[C@H](CC)C(=O)N1CCN(CC1)C(=O)[*:1]
CCCC[C@H](CC)C(=O)N1CCN(C(=O)Cc2ccccn2)CC1 CCCC[*:1] CC[C@H](C(=O)N1CCN(CC1)C(=O)Cc1ccccn1)[*:1]
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)C2=O c1ccc2cc(ccc2c1)[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(CC1)S(=O)(=O)[*:1])C2=O
Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccncc3)[nH+]2)s1 Clc1ccc(s1)[*:1] c1cc(ccn1)CN1CCOC[C@H]1c1[nH]cc([nH+]1)[*:1]
Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccncc3)[nH+]2)s1 c1cc(ccn1)[*:1] Clc1ccc(s1)-c1c[nH]c([nH+]1)[C@@H]1COCCN1C[*:1]
Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccncc3)[nH+]2)s1 c1cc(ccn1)C[*:1] Clc1ccc(s1)-c1c[nH]c([nH+]1)[C@@H]1COCCN1[*:1]
CCCCCNC(=O)c1ccc(Br)cc1 CCCCC[*:1] O=C(N[*:1])c1ccc(Br)cc1
CCCCCNC(=O)c1ccc(Br)cc1 CCCC[*:1] O=C(NC[*:1])c1ccc(Br)cc1
CCCCCNC(=O)c1ccc(Br)cc1 CCC[*:1] O=C(NCC[*:1])c1ccc(Br)cc1
Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)o1 Cc1occc1[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nnc(o1)[*:1])c1ccccc1
Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1occc1-c1nnc(o1)S[C@H](C)C(=O)N[C@@H](C)[*:1]
Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)o1 C[C@@H](c1ccccc1)[*:1] Cc1occc1-c1nnc(o1)S[C@H](C)C(=O)N[*:1]
C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)ccc2N1C(=O)C1CC1 c1ccc(cc1)CC[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)ccc2N1C(=O)C1CC1 O=C(NCCc1ccccc1)[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCC(CC1)[*:1]
C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)ccc2N1C(=O)C1CC1 C1CC1[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)[*:1])S(=O)(=O)N1CCC(CC1)C(=O)NCCc1ccccc1
C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)ccc2N1C(=O)C1CC1 c1ccc(cc1)[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)ccc2N1C(=O)C1CC1 c1ccc(cc1)C[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)c1cc(on1)-c1ccccc1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)c1cc(on1)[*:1]
CC[C@H]1CCCCN1C(=O)CSc1ccccn1 c1ccc(nc1)[*:1] CC[C@H]1CCCCN1C(=O)CS[*:1]
C[C@H]1CCN(C(=O)Nc2cnc(-c3ccccc3)s2)C[C@H]1O c1ccc(cc1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)Nc1cnc(s1)[*:1]
Cc1ccc(N2C(=O)c3cc(N4CC[NH+](Cc5ccccc5)CC4)c([N+](=O)[O-])cc3C2=O)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)N1C(=O)c2cc(c(cc2C1=O)[*:1])N1CC[NH+](CC1)Cc1ccccc1
Cc1ccc(N2C(=O)c3cc(N4CC[NH+](Cc5ccccc5)CC4)c([N+](=O)[O-])cc3C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1c2cc(c(cc2C(=O)N1[*:1])[N+](=O)[O-])N1CC[NH+](CC1)Cc1ccccc1
Cc1ccc(N2C(=O)c3cc(N4CC[NH+](Cc5ccccc5)CC4)c([N+](=O)[O-])cc3C2=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)N1C(=O)c2cc(c(cc2C1=O)[N+](=O)[O-])N1CC[NH+](CC1)[*:1]
Cc1ccc(N2C(=O)c3cc(N4CC[NH+](Cc5ccccc5)CC4)c([N+](=O)[O-])cc3C2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)c2cc(c(cc2C1=O)[N+](=O)[O-])N1CC[NH+](CC1)C[*:1]
CC(=O)c1ccc([C@@H]2C[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)[C@@H]1C[C@@H]1[*:1]
CC(=O)c1ccc([C@@H]2C[C@H]2c2ccccc2)cc1 CC(=O)[*:1] c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(cc1)[*:1]
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(CSCc2ccccc2)s1 c1ccc(cc1)CS[*:1] O=C(/C=C/c1ccc2OCOc2c1)Nc1nnc(C[*:1])s1
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(CSCc2ccccc2)s1 c1cc2OCOc2cc1[*:1] O=C(C=C[*:1])Nc1nnc(CSCc2ccccc2)s1
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(CSCc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccc2OCOc2c1)Nc1nnc(CSC[*:1])s1
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(CSCc2ccccc2)s1 c1ccc(cc1)C[*:1] O=C(/C=C/c1ccc2OCOc2c1)Nc1nnc(CS[*:1])s1
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(CSCc2ccccc2)s1 c1ccc(cc1)CSC[*:1] O=C(/C=C/c1ccc2OCOc2c1)Nc1nnc(s1)[*:1]
O=[N+]([O-])c1cccnc1Oc1ccc2nccnc2c1 O=[N+]([O-])[*:1] c1cnc(Oc2ccc3nccnc3c2)c(c1)[*:1]
OC[C@H](C[C@H]1Cc2cc(F)ccc2O1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] OC[C@H](C[C@H]1Cc2cc(F)ccc2O1)[*:1]
CCCC(=O)NC1CCN(C(=O)[C@@H]2CC[C@@H](C[NH3+])O2)CC1 CCC[*:1] [NH3+]C[C@@H]1CC[C@H](O1)C(=O)N1CCC(CC1)NC(=O)[*:1]
CCCC(=O)NC1CCN(C(=O)[C@@H]2CC[C@@H](C[NH3+])O2)CC1 CCCC(=O)N[*:1] [NH3+]C[C@@H]1CC[C@H](O1)C(=O)N1CCC(CC1)[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)CCOC1CCOCC1 C1CC(CCO1)O[*:1] CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)CC[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)CCOC1CCOCC1 C1CC(CCO1)[*:1] CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)CCO[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)CCOC1CCOCC1 CC(C)[*:1] O=C(CCOC1CCOCC1)N1CCC[C@H]1c1nncn1C[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)CCOC1CCOCC1 C1CC(CCO1)OC[*:1] CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)C[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)CCOC1CCOCC1 CC(C)C[*:1] O=C(CCOC1CCOCC1)N1CCC[C@H]1c1nncn1[*:1]
CN(C)c1ncccc1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 CN(C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1cccnc1[*:1]
Cc1cc(S(=O)(=O)N(CCO)c2ccc(C#N)cc2)ccc1[N+](=O)[O-] OCC[*:1] Cc1cc(ccc1[N+](=O)[O-])S(=O)(=O)N(c1ccc(C#N)cc1)[*:1]
Cc1cc(S(=O)(=O)N(CCO)c2ccc(C#N)cc2)ccc1[N+](=O)[O-] N#Cc1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])S(=O)(=O)N(CCO)[*:1]
Cc1cc(S(=O)(=O)N(CCO)c2ccc(C#N)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)N(CCO)c1ccc(C#N)cc1
Cc1cc2c(=O)n(CC(=O)N(C)[C@@H](C)CC(C)C)cnc2s1 CC(C)C[C@H](C)[*:1] Cc1cc2c(=O)n(cnc2s1)CC(=O)N(C)[*:1]
Cc1cc2c(=O)n(CC(=O)N(C)[C@@H](C)CC(C)C)cnc2s1 CC(C)[*:1] Cc1cc2c(=O)n(cnc2s1)CC(=O)N(C)[C@@H](C)C[*:1]
Cc1cc2c(=O)n(CC(=O)N(C)[C@@H](C)CC(C)C)cnc2s1 CC(C)C[*:1] Cc1cc2c(=O)n(cnc2s1)CC(=O)N(C)[C@@H](C)[*:1]
CC(C)C[C@H](NC(=O)[C@H]1CCCCC[C@H]1[NH3+])C(=O)[O-] CC(C)[*:1] [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@@H](C[*:1])C(=O)[O-]
CC(C)C[C@H](NC(=O)[C@H]1CCCCC[C@H]1[NH3+])C(=O)[O-] CC(C)C[*:1] [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@H](C(=O)[O-])[*:1]
CC(C)C[C@H](NC(=O)[C@H]1CCCCC[C@H]1[NH3+])C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](NC(=O)[C@H]1CCCCC[C@H]1[NH3+])[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NCc2ccco2)C1 c1coc(c1)C[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)N[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NCc2ccco2)C1 c1coc(c1)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)NC[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NCc2ccco2)C1 CS(=O)(=O)[*:1] O=C(NCc1ccco1)N[C@H]1CCC[C@@H](C1)[*:1]
O=C(/C=C/c1ccccc1)NC[C@@H](O)c1cccc(OC(F)F)c1 C(=C[*:1])c1ccccc1 O=C(NC[C@@H](O)c1cccc(c1)OC(F)F)[*:1]
O=C(/C=C/c1ccccc1)NC[C@@H](O)c1cccc(OC(F)F)c1 c1ccc(cc1)[*:1] O=C(C=C[*:1])NC[C@@H](O)c1cccc(c1)OC(F)F
O=C(/C=C/c1ccccc1)NC[C@@H](O)c1cccc(OC(F)F)c1 FC(F)[*:1] O=C(/C=C/c1ccccc1)NC[C@@H](O)c1cccc(c1)O[*:1]
O=C(/C=C/c1ccccc1)NC[C@@H](O)c1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(/C=C/c1ccccc1)NC[C@@H](O)c1cccc(c1)[*:1]
Cc1ccc(/C=C/C(=O)N[C@@H](CO)C(=O)[O-])o1 O=C([O-])[*:1] Cc1ccc(/C=C/C(=O)N[C@@H](CO)[*:1])o1
CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(-c4ccccc4)cn23)n(C)c1=O Cc1ccc(c(C)c1)[*:1] CC(=O)Cn1c(=O)c2c(nc3n(c(cn23)-c2ccccc2)[*:1])n(C)c1=O
CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(-c4ccccc4)cn23)n(C)c1=O CC(=O)[*:1] Cc1ccc(c(C)c1)-n1c(cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12)-c1ccccc1
CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(-c4ccccc4)cn23)n(C)c1=O CC(=O)C[*:1] Cc1ccc(c(C)c1)-n1c(cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1])-c1ccccc1
CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(-c4ccccc4)cn23)n(C)c1=O c1ccc(cc1)[*:1] CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(cn23)[*:1])n(C)c1=O
COc1cc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc(OC)c1OC Brc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)CN1CC[NH+](CC1)C[*:1]
COc1cc(CN2CC[NH+](Cc3ccc(Br)cc3)CC2)cc(OC)c1OC Brc1ccc(cc1)C[*:1] COc1cc(cc(OC)c1OC)CN1CC[NH+](CC1)[*:1]
O=C(Nc1ccccc1F)c1ccn(COc2ccc(Cl)cc2)n1 Clc1ccc(cc1)O[*:1] O=C(Nc1ccccc1F)c1ccn(C[*:1])n1
O=C(Nc1ccccc1F)c1ccn(COc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1F)c1ccn(CO[*:1])n1
O=C(Nc1ccccc1F)c1ccn(COc2ccc(Cl)cc2)n1 Fc1ccccc1[*:1] O=C(N[*:1])c1ccn(COc2ccc(Cl)cc2)n1
CCc1nnc(NC(=O)N(C)Cc2ccccc2)s1 c1ccc(cc1)[*:1] CCc1nnc(NC(=O)N(C)C[*:1])s1
CCC[NH+]1CCN(Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)[nH]2)CC1 CCC[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CC[NH+](CC2)[*:1])[nH]c1=O
CCc1ccc(N2C[C@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)CC2=O)cc1 CCc1ccc(cc1)[*:1] CC(C)(C)[C@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])C(N)=O
CCc1ccc(N2C[C@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)CC2=O)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[C@H](C(N)=O)[*:1]
CCc1ccc(N2C[C@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)CC2=O)cc1 NC(=O)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[C@H](C(C)(C)C)[*:1]
CCc1ccc(N2C[C@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)CC2=O)cc1 CC(C)(C)[C@@H](C(N)=O)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
N#CCCSc1ccccc1N N#CC[*:1] Nc1ccccc1SC[*:1]
N#CCCSc1ccccc1N N#CCC[*:1] Nc1ccccc1S[*:1]
Cc1nc(C(=O)NC[C@@]2(C)CCCc3ccccc32)no1 Cc1nc(no1)[*:1] C[C@@]1(CCCc2ccccc21)CNC(=O)[*:1]
CNC(=O)c1ccc(N2CCC[C@@H]([C@H](C)[NH2+]C)C2)nn1 CNC(=O)[*:1] C[NH2+][C@@H](C)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
CCc1ccccc1NC(=O)NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)NCCC1CCN(CC1)S(=O)(=O)[*:1]
CCc1ccccc1NC(=O)NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 CCc1ccccc1[*:1] O=C(NCCC1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)N[*:1]
COc1ccc([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)OC)[C@H](C)N[C@@H](C)c1ccccc1[*:1]
CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(O)C[C@@H](OC(C)=O)CC[C@]5(C(=O)O3)[C@@H]4CC[C@]21C CC(=O)OC[*:1] CC(=O)O[C@H]1CC[C@@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]3CC[C@]1(C)[C@@H]4CC[C@H]1C(=O)[*:1]
CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(O)C[C@@H](OC(C)=O)CC[C@]5(C(=O)O3)[C@@H]4CC[C@]21C CC(=O)OCC(=O)[*:1] CC(=O)O[C@H]1CC[C@@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]3CC[C@]1(C)[C@@H]4CC[C@H]1[*:1]
CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(O)C[C@@H](OC(C)=O)CC[C@]5(C(=O)O3)[C@@H]4CC[C@]21C CC(=O)O[*:1] CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(O)C[C@@H](CC[C@]5(C(=O)O3)[C@@H]4CC[C@]21C)[*:1]
CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(O)C[C@@H](OC(C)=O)CC[C@]5(C(=O)O3)[C@@H]4CC[C@]21C CC(=O)O[*:1] CC(=O)O[C@H]1CC[C@@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]3CC[C@]1(C)[C@@H]4CC[C@H]1C(=O)C[*:1]
CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 CC(=O)NCC[*:1] C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1)c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 CC(=O)NC[*:1] C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(=O)NCCc1ccc(cc1)[C@H](C)[NH2+][C@@H]1CCC[C@H]1[*:1]
CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 CC(=O)N[*:1] C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1)c1ccc(cc1)CC[*:1]
O=C(c1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1)N1CCCCC1 Fc1ccccc1C[*:1] O=C(c1ccc(cc1)CSc1nc2ccncc2n1[*:1])N1CCCCC1
O=C(c1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] Fc1ccccc1Cn1c(nc2ccncc21)SCc1ccc(cc1)[*:1]
O=C(c1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1)N1CCCCC1 Fc1ccccc1[*:1] O=C(c1ccc(cc1)CSc1nc2ccncc2n1C[*:1])N1CCCCC1
COC(=O)[C@H](C)CN(C)S(=O)(=O)c1cccc(F)c1 COC(=O)[*:1] C[C@H](CN(C)S(=O)(=O)c1cccc(F)c1)[*:1]
COC(=O)[C@H](C)CN(C)S(=O)(=O)c1cccc(F)c1 COC(=O)[C@H](C)[*:1] CN(C[*:1])S(=O)(=O)c1cccc(F)c1
Cc1c(NC(=O)[C@@H](C)S[C@H](C)C(C)C)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)[C@@H](C)S[C@H](C)C(C)C)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)[C@@H](C)S[C@H](C)C(C)C)c(=O)n(-c2ccccc2)n1C CC(C)[*:1] Cc1c(NC(=O)[C@@H](C)S[C@H](C)[*:1])c(=O)n(-c2ccccc2)n1C
CCOc1cc(Br)ccc1NCc1c(C)nn(CC)c1C CCO[*:1] CCn1nc(C)c(CNc2ccc(Br)cc2[*:1])c1C
C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C(C)(C)C1 C[C@H]1CCCC[C@H]1NC(=O)[*:1] C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC1(C)C)C[*:1]
C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C(C)(C)C1 C[C@H]1CCCC[C@@H]1[*:1] C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)N[*:1])CC1(C)C
C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C(C)(C)C1 C[C@H]1CCCC[C@H]1[*:1] C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)N[*:1])C(C)(C)C1
C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C(C)(C)C1 C[C@H]1CCCC[C@H]1NC(=O)[*:1] C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(C[*:1])C(C)(C)C1
Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(C)cc2F)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(NC(=O)NC[C@H](O)[*:1])c(F)c1
CCc1cccc(N2C[C@H](C(=O)NNC(=O)Cc3ccccc3)CC2=O)c1 CCc1cccc(c1)[*:1] O=C(Cc1ccccc1)NNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCc1cccc(N2C[C@H](C(=O)NNC(=O)Cc3ccccc3)CC2=O)c1 c1ccc(cc1)C[*:1] CCc1cccc(c1)N1C[C@@H](CC1=O)C(=O)NNC(=O)[*:1]
CCc1cccc(N2C[C@H](C(=O)NNC(=O)Cc3ccccc3)CC2=O)c1 c1ccc(cc1)[*:1] CCc1cccc(c1)N1C[C@@H](CC1=O)C(=O)NNC(=O)C[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)C1 CCOC(=O)[*:1] C[C@H](NC(=O)N1CCC[C@H](C1)[*:1])c1ccc(F)c(Cl)c1
CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1Cl)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
COc1cccc(CNC(=O)Cn2cnc3c(nc4n3CCCCC4)c2=O)c1 COc1cccc(c1)[*:1] O=C(Cn1cnc2c(nc3CCCCCn32)c1=O)NC[*:1]
COc1cccc(CNC(=O)Cn2cnc3c(nc4n3CCCCC4)c2=O)c1 COc1cccc(c1)C[*:1] O=C(Cn1cnc2c(nc3CCCCCn32)c1=O)N[*:1]
CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(=O)n(C)c1 CCN(CC)C(=O)[*:1] Cn1cc(cc(NC(=O)c2ccccc2[N+](=O)[O-])c1=O)[*:1]
CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(=O)n(C)c1 O=[N+]([O-])c1ccccc1[*:1] CCN(CC)C(=O)c1cc(NC(=O)[*:1])c(=O)n(C)c1
CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(=O)n(C)c1 O=[N+]([O-])[*:1] CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2[*:1])c(=O)n(C)c1
COc1ccc(C)cc1/C=C/C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 Clc1ccc(cc1)[*:1] COc1ccc(C)cc1/C=C/C(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
COc1ccc(C)cc1/C=C/C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 COc1ccc(C)cc1[*:1] O=C(C=C[*:1])N1CCN(CC1)Cc1nc(no1)-c1ccc(Cl)cc1
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@](C)(O)c2ccccc2)C1 CC(C)[*:1] C[C@](O)(C[C@H]1C[C@@H](CCC1=O)[*:1])c1ccccc1
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@](C)(O)c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)[C@@H]1CCC(=O)[C@H](C1)C[C@](C)(O)[*:1]
O=C([O-])CCc1nc2ccccc2n1C1CCCCC1 C1CCC(CC1)[*:1] O=C([O-])CCc1nc2ccccc2n1[*:1]
O=C([O-])CCc1nc2ccccc2n1C1CCCCC1 O=C([O-])CC[*:1] c1ccc2c(c1)nc(n2C1CCCCC1)[*:1]
O=C([O-])CCc1nc2ccccc2n1C1CCCCC1 O=C([O-])C[*:1] c1ccc2c(c1)nc(C[*:1])n2C1CCCCC1
O=C([O-])CCc1nc2ccccc2n1C1CCCCC1 O=C([O-])[*:1] c1ccc2c(c1)nc(CC[*:1])n2C1CCCCC1
Cc1cc(C(=O)NC2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)no1 O=[N+]([O-])[*:1] Cc1cc(no1)C(=O)NC1CCN(CC1)c1ccc(c(C)n1)[*:1]
Cc1cc(C(=O)NC2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)no1 Cc1cc(no1)[*:1] Cc1nc(ccc1[N+](=O)[O-])N1CCC(CC1)NC(=O)[*:1]
O=C(CNS(=O)(=O)Cc1ccccc1)Nc1cccc2cccnc12 c1ccc(cc1)C[*:1] O=C(CNS(=O)(=O)[*:1])Nc1cccc2cccnc12
O=C(CNS(=O)(=O)Cc1ccccc1)Nc1cccc2cccnc12 c1ccc(cc1)[*:1] O=C(CNS(=O)(=O)C[*:1])Nc1cccc2cccnc12
Cc1noc(C)c1CC(=O)N[C@H](C)Cc1cccc(Cl)c1 Cc1noc(C)c1[*:1] C[C@H](Cc1cccc(Cl)c1)NC(=O)C[*:1]
Cc1noc(C)c1CC(=O)N[C@H](C)Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1noc(C)c1CC(=O)N[C@H](C)C[*:1]
C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccccc3Cl)ccc21 Clc1ccccc1C[*:1] C=CCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)[*:1]
C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccccc3Cl)ccc21 Clc1ccccc1[*:1] C=CCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)C[*:1]
C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccccc3Cl)ccc21 C=CC[*:1] CC1(C)COc2cc(ccc2N(C1=O)[*:1])NC(=O)Cc1ccccc1Cl
C[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)c1ccc2c(=O)n3CCCc3nc2c1)[*:1]
CCC[C@H](CS)COc1ccc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCC[C@H](CS)COc1ccc(Br)cc1[*:1]
CCC[C@H](CS)COc1ccc(Br)cc1[N+](=O)[O-] CCC[*:1] O=[N+]([O-])c1cc(Br)ccc1OC[C@@H](CS)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)C1 CS(=O)(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Cn1c(nc2ccccc21)[*:1]
COCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(Cl)c2)CC1 COC[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])C(=O)Nc1cccc(Cl)c1
COCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COCC[NH+]1CCC(CC1)CNC(=O)C(=O)N[*:1]
COCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(Cl)c2)CC1 COCC[*:1] O=C(NCC1CC[NH+](CC1)[*:1])C(=O)Nc1cccc(Cl)c1
COc1ccc(CCN2C(=O)C[C@@H](C(=O)[O-])S/C2=N\c2ccc(F)cc2)cc1OC COc1ccc(cc1OC)[*:1] O=C([O-])[C@@H]1CC(=O)N(CC[*:1])/C(=N/c2ccc(F)cc2)S1
COc1ccc(CCN2C(=O)C[C@@H](C(=O)[O-])S/C2=N\c2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCN1C(=O)C[C@H](SC1=N[*:1])C(=O)[O-]
COc1ccc(CCN2C(=O)C[C@@H](C(=O)[O-])S/C2=N\c2ccc(F)cc2)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)CCN1C(=O)C[C@@H](S/C1=N\c1ccc(F)cc1)[*:1]
CN(C)S(=O)(=O)c1cccc(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 CN(C)S(=O)(=O)[*:1] O=C(OCc1cccc(c1)[*:1])C1CCN(CC1)C(=O)Nc1ccccc1
CN(C)S(=O)(=O)c1cccc(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)COC(=O)C1CCN(CC1)C(=O)N[*:1]
COc1cc(F)cc(CNC(=O)NCc2ccnc(OC3CCC3)c2)c1 C1CC(C1)[*:1] COc1cc(F)cc(c1)CNC(=O)NCc1ccnc(c1)O[*:1]
COc1cc(F)cc(CNC(=O)NCc2ccnc(OC3CCC3)c2)c1 C1CC(C1)O[*:1] COc1cc(F)cc(c1)CNC(=O)NCc1ccnc(c1)[*:1]
COc1cc(Br)cc(C)c1NC(=O)[C@H](C)c1cccs1 c1csc(c1)[*:1] COc1cc(Br)cc(C)c1NC(=O)[C@H](C)[*:1]
Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cc1C C[C@H](O)[*:1] Cc1cc(C)c(cc1C)[C@@H](C)[NH2+]CC(C)(C)C[*:1]
Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cc1C C[C@H](O)C[*:1] Cc1cc(C)c(cc1C)[C@@H](C)[NH2+]CC(C)(C)[*:1]
CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 C1CO[C@H](C1)C[*:1] CCCc1cc2OC(N)=C(C#N)[C@H](c3ccc(cc3)C(C)C)c2c(=O)n1[*:1]
CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 C1CO[C@H](C1)[*:1] CCCc1cc2OC(N)=C(C#N)[C@H](c3ccc(cc3)C(C)C)c2c(=O)n1C[*:1]
CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 CC(C)c1ccc(cc1)[*:1] CCCc1cc2OC(N)=C(C#N)[C@H](c2c(=O)n1C[C@H]1CCCO1)[*:1]
CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 CCC[*:1] CC(C)c1ccc(cc1)[C@H]1C(C#N)=C(N)Oc2cc(n(C[C@H]3CCCO3)c(=O)c21)[*:1]
CCCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 CC(C)[*:1] CCCc1cc2OC(N)=C(C#N)[C@H](c3ccc(cc3)[*:1])c2c(=O)n1C[C@H]1CCCO1
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)sc1Cl Clc1cc(c(Cl)s1)[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[*:1]
Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nn1C CC(C)(C)[*:1] Cc1cc(nn1C)C(=O)Nc1sc2C[C@@H](CCc2c1C#N)[*:1]
Cc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nn1C Cc1cc(nn1C)[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
COC(=O)[C@@H]1CN(c2ccc(I)c(C)[nH+]2)C[C@@H]1C COC(=O)[*:1] Cc1[nH+]c(ccc1I)N1C[C@H]([C@@H](C)C1)[*:1]
O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCN(Cc2ccccc2)CC1 C1CC1[*:1] O=C(CSc1nnc(C2CC2)n1[*:1])N1CCN(CC1)Cc1ccccc1
O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCN(CC1)C[*:1]
O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCN(Cc2ccccc2)CC1 C1CC1[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCN(CC1)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(F)c(F)c1F c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)Nc1ccc(F)c(F)c1F
O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC1(Cl)Cl O=[N+]([O-])[*:1] O=C(Nc1n[nH]c2ccc(cc12)[*:1])[C@@H]1CC1(Cl)Cl
COc1cc(C)ccc1NC(=O)c1cc(S(N)(=O)=O)oc1C NS(=O)(=O)[*:1] COc1cc(C)ccc1NC(=O)c1cc(oc1C)[*:1]
Cc1cc(C(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)on1 CC(C)[*:1] Cc1cc(on1)C(=O)N1C[C@H](C(=O)N[*:1])[C@H](C1)c1ccnc(n1)N1CCCCC1
Cc1cc(C(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)on1 Cc1cc(on1)[*:1] CC(C)NC(=O)[C@H]1CN(C[C@@H]1c1ccnc(n1)N1CCCCC1)C(=O)[*:1]
Cc1cc(C(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)on1 CC(C)NC(=O)[*:1] Cc1cc(on1)C(=O)N1C[C@H](c2ccnc(n2)N2CCCCC2)[C@@H](C1)[*:1]
Cc1cc(C(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)on1 C1CCN(CC1)[*:1] Cc1cc(on1)C(=O)N1C[C@H](C(=O)NC(C)C)[C@H](C1)c1ccnc(n1)[*:1]
COc1ccc2c(c1)[C@](CCO)([C@H](C)[NH3+])CC2 OCC[*:1] COc1ccc2CC[C@](c2c1)([C@H](C)[NH3+])[*:1]
C/C(=N/N=c1\[nH]c([O-])c(C(=O)[O-])s1)c1ccc2c(c1)OCO2 O=C([O-])[*:1] C/C(=N/N=c1\[nH]c([O-])c(s1)[*:1])c1ccc2OCOc2c1
CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)c(cc1C)OC)[*:1]
C[C@H](Sc1nnc(N)s1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 Fc1ccc(cc1F)[*:1] C[C@H](Sc1nnc(N)s1)C(=O)Nc1nc(cs1)[*:1]
C[C@H](Sc1nnc(N)s1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 Nc1nnc(s1)[*:1] C[C@H](S[*:1])C(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1
C[C@H](Sc1nnc(N)s1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 Nc1nnc(S[*:1])s1 C[C@H](C(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1)[*:1]
COc1ccc(NC(=O)Cn2cc(-c3nnc(C)o3)c3ccccc32)c(OC)c1 Cc1nnc(o1)[*:1] COc1ccc(NC(=O)Cn2cc(c3ccccc32)[*:1])c(c1)OC
CCc1ccc(CN[C@@](C)(CC(C)C)C(N)=O)cc1 CC(C)[*:1] CCc1ccc(cc1)CN[C@@](C)(C[*:1])C(N)=O
CCc1ccc(CN[C@@](C)(CC(C)C)C(N)=O)cc1 NC(=O)[*:1] CCc1ccc(cc1)CN[C@@](C)(CC(C)C)[*:1]
CCc1ccc(CN[C@@](C)(CC(C)C)C(N)=O)cc1 CC(C)C[*:1] CCc1ccc(cc1)CN[C@@](C)(C(N)=O)[*:1]
c1ccc(CN2CC3(CC3)[NH+](Cc3ccccc3)CC23CC3)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)CN1CC2(CC2)[NH+](CC12CC2)C[*:1]
c1ccc(CN2CC3(CC3)[NH+](Cc3ccccc3)CC23CC3)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)CN1CC2(CC2)[NH+](CC12CC2)[*:1]
c1ccc(CN2CC3(CC3)[NH+](Cc3ccccc3)CC23CC3)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)C[NH+]1CC2(CC2)N(CC12CC2)[*:1]
c1ccc(CN2CC3(CC3)[NH+](Cc3ccccc3)CC23CC3)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)C[NH+]1CC2(CC2)N(CC12CC2)C[*:1]
CCCCNC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 CCCCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C12CC3CC(CC(C3)C1)C2
CCCCNC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 CCC[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)C12CC3CC(CC(C3)C1)C2
CCCCNC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 CCCC[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)C12CC3CC(CC(C3)C1)C2
CC[C@H](CC(=O)NCCO)[C@@H](C)O C[C@@H](O)[*:1] CC[C@H](CC(=O)NCCO)[*:1]
CC[C@H](CC(=O)NCCO)[C@@H](C)O OCC[*:1] CC[C@H](CC(=O)N[*:1])[C@@H](C)O
CC(C)[C@@H](NC(=O)CCl)c1ccccc1 CC(C)[*:1] O=C(CCl)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)CCl)c1ccccc1 O=C(CCl)N[*:1] CC(C)[C@@H](c1ccccc1)[*:1]
Cc1cc([C@@H]2CCCN2C(=O)Cc2cn(C)c3ccccc23)no1 Cc1cc(no1)[*:1] Cn1cc(CC(=O)N2CCC[C@H]2[*:1])c2ccccc21
C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccccn3)c2)[C@@H](C)C1 c1ccc(nc1)O[*:1] C[C@H]1CCN(C(=O)Nc2cccc(c2)[*:1])[C@@H](C)C1
C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccccn3)c2)[C@@H](C)C1 c1ccc(nc1)[*:1] C[C@H]1CCN(C(=O)Nc2cccc(c2)O[*:1])[C@@H](C)C1
COc1ccc2cnn(CC(=O)NCCn3ccc4ccc(Cl)cc43)c(=O)c2c1OC Clc1ccc2ccn(c2c1)[*:1] COc1ccc2cnn(CC(=O)NCC[*:1])c(=O)c2c1OC
Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)c1ccc(c(c1)[*:1])-n1ccnc1
Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)o1 Cc1ccc(o1)[C@@H](C)[*:1] O=C(N[*:1])c1ccc(c(c1)[N+](=O)[O-])-n1ccnc1
Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)c1ccc(c(c1)[N+](=O)[O-])-n1ccnc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)o1 c1cn(cn1)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 Clc1ccccc1C[*:1] O=C(Nc1ccc(cc1)N1CCCC1=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1
O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(Nc1ccc(cc1)N1CCCC1=O)[C@@H]1CC(=O)N(C1)C[*:1]
COC(=O)[C@@H](NC[C@H]1CCCO1)c1c[nH+]cn1C1CC1 C1CO[C@H](C1)C[*:1] COC(=O)[C@@H](N[*:1])c1c[nH+]cn1C1CC1
COC(=O)[C@@H](NC[C@H]1CCCO1)c1c[nH+]cn1C1CC1 COC(=O)[*:1] c1[nH+]cn(c1[C@H](NC[C@H]1CCCO1)[*:1])C1CC1
COC(=O)[C@@H](NC[C@H]1CCCO1)c1c[nH+]cn1C1CC1 C1CC1[*:1] COC(=O)[C@@H](NC[C@H]1CCCO1)c1c[nH+]cn1[*:1]
COC(=O)[C@@H](NC[C@H]1CCCO1)c1c[nH+]cn1C1CC1 C1CO[C@H](C1)[*:1] COC(=O)[C@@H](NC[*:1])c1c[nH+]cn1C1CC1
C[C@H](NS(=O)(=O)c1cccc2cnccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)c1cccc2cnccc12)[*:1]
Cc1nc2n(n1)-c1nnc(SCC(=O)N3CCC(C)CC3)n1-c1sc3c(c1-2)[C@@H](C)CCC3 CC1CCN(CC1)C(=O)[*:1] Cc1nc2-c3c(sc4CCC[C@H](C)c43)-n3c(nnc3-n2n1)SC[*:1]
Cc1nc2n(n1)-c1nnc(SCC(=O)N3CCC(C)CC3)n1-c1sc3c(c1-2)[C@@H](C)CCC3 CC1CCN(CC1)C(=O)C[*:1] Cc1nc2-c3c(sc4CCC[C@H](C)c43)-n3c(nnc3-n2n1)S[*:1]
CCC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 CCC(=O)NC(=S)N[*:1] Cc1ccc2nc(sc2c1)-c1ccc(cc1)[*:1]
Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=S(=O)(c1ccc(F)c(F)c1)N1CCN(CC1)[*:1]
Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 Fc1ccc(cc1F)[*:1] Cc1ccc(cc1)CN1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)c(F)c1)N1CCN(CC1)C[*:1]
C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)nnc12 C=CC[*:1] C[C@@H](Sc1nnc2n(c(=O)c3ccccc3n12)[*:1])C(=O)Nc1ccc(Cl)cc1Cl
C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)nnc12 Clc1ccc(c(Cl)c1)[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)S[C@H](C)C(=O)N[*:1]
CN(C)c1nc(CSCc2nc(Cc3ccccc3)no2)ns1 CN(C)[*:1] c1ccc(cc1)Cc1noc(CSCc2nsc(n2)[*:1])n1
CN(C)c1nc(CSCc2nc(Cc3ccccc3)no2)ns1 c1ccc(cc1)[*:1] CN(C)c1nc(CSCc2nc(C[*:1])no2)ns1
CN(C)c1nc(CSCc2nc(Cc3ccccc3)no2)ns1 c1ccc(cc1)C[*:1] CN(C)c1nc(CSCc2nc(no2)[*:1])ns1
COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1cc(n(CCC(=O)Nc2ccc(Cl)cc2)c1C)[*:1]
COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(C(C)=O)c(C)n1CCC(=O)N[*:1]
COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(Cl)cc2)cc1 CC(=O)[*:1] COc1ccc(cc1)-c1cc(c(C)n1CCC(=O)Nc1ccc(Cl)cc1)[*:1]
CCOC(=O)c1ccc(NC(=O)CN(C)c2nc3c(F)cccc3s2)cc1 CCOC(=O)[*:1] CN(CC(=O)Nc1ccc(cc1)[*:1])c1nc2c(F)cccc2s1
C[C@H]1CN(C(=O)CCc2cscn2)[C@H](C)CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(C(=O)CCc2cscn2)[C@H](C)CN1C(=O)O[*:1]
C[C@H]1CN(C(=O)CCc2cscn2)[C@H](C)CN1C(=O)OC(C)(C)C c1nc(cs1)CC[*:1] C[C@H]1CN(C(=O)[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
C[C@H]1CN(C(=O)CCc2cscn2)[C@H](C)CN1C(=O)OC(C)(C)C c1nc(cs1)C[*:1] C[C@H]1CN(C(=O)C[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
C[C@H]1CN(C(=O)CCc2cscn2)[C@H](C)CN1C(=O)OC(C)(C)C c1nc(cs1)[*:1] C[C@H]1CN(C(=O)CC[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
CCN(C[C@@H]1CCOC1)C(=O)[C@@H](C)NC(C)=O CC(=O)N[*:1] CCN(C[C@@H]1CCOC1)C(=O)[C@@H](C)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)[C@@H](C)NC(C)=O C1C[C@H](CO1)[*:1] CCN(C[*:1])C(=O)[C@@H](C)NC(C)=O
O=S(=O)(Cc1ccccc1Cl)NCC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Cc1ccccc1Cl)NCC[C@H](O)[*:1]
O=S(=O)(Cc1ccccc1Cl)NCC[C@H](O)c1ccccc1 Clc1ccccc1[*:1] O=S(=O)(C[*:1])NCC[C@H](O)c1ccccc1
C[NH2+]C[C@H](C)C(=O)Nc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] C[NH2+]C[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C1=NN=C2CCN(c3cc(OC)ncn3)C[C@@H]21)c1ccccc1 COc1cc(ncn1)[*:1] CC[C@H](C1=NN=C2CCN(C[C@@H]21)[*:1])c1ccccc1
CC[C@H](C1=NN=C2CCN(c3cc(OC)ncn3)C[C@@H]21)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C1=NN=C2CCN(C[C@@H]21)c1cc(ncn1)OC)[*:1]
COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cn1 Clc1ccccc1[*:1] COc1cc(/C=N/NC(=O)[*:1])ccc1Oc1ccc(cn1)[N+](=O)[O-]
COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cn1 O=[N+]([O-])c1ccc(nc1)O[*:1] COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1[*:1]
COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1Oc1ccc(cn1)[*:1]
COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cn1 O=[N+]([O-])c1ccc(nc1)[*:1] COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1O[*:1]
C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc[n+]([O-])c3)cc2)CC1 [O-][n+]1cccc(c1)[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)CNC(=O)[*:1]
O=C(Cn1nnc(-c2ccccc2F)n1)NCc1ccco1 Fc1ccccc1[*:1] O=C(Cn1nnc(n1)[*:1])NCc1ccco1
O=C(Cn1nnc(-c2ccccc2F)n1)NCc1ccco1 c1coc(c1)[*:1] O=C(Cn1nnc(n1)-c1ccccc1F)NC[*:1]
O=C(Cn1nnc(-c2ccccc2F)n1)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cn1nnc(n1)-c1ccccc1F)N[*:1]
CC(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 c1ccc(cc1)C[*:1] CC(=O)Oc1ccc2c(C)c(c(=O)oc2c1)[*:1]
CC(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 CC(=O)O[*:1] Cc1c(Cc2ccccc2)c(=O)oc2cc(ccc12)[*:1]
CC(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 c1ccc(cc1)[*:1] CC(=O)Oc1ccc2c(C)c(C[*:1])c(=O)oc2c1
C[C@@H](CNCc1cc2cc(F)ccc2o1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNCc1cc2cc(F)ccc2o1)c1nc(no1)[*:1]
CCN[C@H](c1cncnc1)[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] CCN[C@H](c1cncnc1)[C@@H]1CN(CCO1)[*:1]
CCN[C@H](c1cncnc1)[C@@H]1CN(C(C)C)CCO1 CCN[*:1] CC(C)N1CCO[C@@H](C1)[C@@H](c1cncnc1)[*:1]
CCN[C@H](c1cncnc1)[C@@H]1CN(C(C)C)CCO1 c1ncc(cn1)[*:1] CCN[C@H]([C@@H]1CN(CCO1)C(C)C)[*:1]
CCC[C@@H]1CN(C(=O)c2cc3c(nc4sccn43)s2)CCO1 CCC[*:1] O=C(c1cc2c(nc3sccn32)s1)N1CCO[C@@H](C1)[*:1]
Cc1csc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)n1 Cc1csc(n1)[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1ccc(C(=O)N[*:1])c(Cl)c1
CC(=O)N[C@@H](C(=O)N[C@H](C)c1nnc2ccccn12)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)N[C@H](C)c1nnc2ccccn12)[*:1]
CC(=O)N[C@@H](C(=O)N[C@H](C)c1nnc2ccccn12)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)N[C@H](C)c1nnc2ccccn12)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nnc(C)n1C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)Sc1nnc(C)n1C)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nnc(C)n1C Cc1nnc(n1C)[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)S[*:1])S(=O)(=O)N(C)C
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nnc(C)n1C Cc1nnc(S[*:1])n1C Cc1ccc(cc1NC(=O)[C@@H](C)[*:1])S(=O)(=O)N(C)C
CO[C@H](C)[C@@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CO[C@H](C)[C@@H](O)[C@@H]1CCC[C@H](C1)[*:1]
CO[C@H](C)[C@@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CO[C@H](C)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[C@H](O)[*:1]
COC[C@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1ccc(F)c(F)c1 COC[*:1] CN1CC[C@@H](NC(=O)N[C@H](c2ccc(F)c(F)c2)[*:1])C1=O
COC[C@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1ccc(F)c(F)c1 CN1CC[C@H](C1=O)[*:1] COC[C@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
CC(C)CCS(=O)(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)CCS(=O)(=O)N[C@H]1CCCN(C[*:1])C1=O
CC(C)CCS(=O)(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O CC(C)C[*:1] O=C1[C@H](CCCN1Cc1ccccc1)NS(=O)(=O)C[*:1]
CC(C)CCS(=O)(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O CC(C)[*:1] O=C1[C@H](CCCN1Cc1ccccc1)NS(=O)(=O)CC[*:1]
CC(C)CCS(=O)(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O CC(C)CC[*:1] O=C1[C@H](CCCN1Cc1ccccc1)NS(=O)(=O)[*:1]
CC(C)CCS(=O)(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CC(C)CCS(=O)(=O)N[C@H]1CCCN(C1=O)[*:1]
O=C(CSc1ccc(F)cc1)NCc1cc(-c2ccc3c(c2)OCCO3)on1 Fc1ccc(cc1)S[*:1] O=C(C[*:1])NCc1cc(on1)-c1ccc2OCCOc2c1
O=C(CSc1ccc(F)cc1)NCc1cc(-c2ccc3c(c2)OCCO3)on1 Fc1ccc(cc1)SC[*:1] O=C(NCc1cc(on1)-c1ccc2OCCOc2c1)[*:1]
O=C(CSc1ccc(F)cc1)NCc1cc(-c2ccc3c(c2)OCCO3)on1 Fc1ccc(cc1)[*:1] O=C(CS[*:1])NCc1cc(on1)-c1ccc2OCCOc2c1
C=CCn1c(Cc2ccccc2)nnc1SCc1ccccc1C#N N#Cc1ccccc1[*:1] C=CCn1c(Cc2ccccc2)nnc1SC[*:1]
C=CCn1c(Cc2ccccc2)nnc1SCc1ccccc1C#N c1ccc(cc1)[*:1] C=CCn1c(C[*:1])nnc1SCc1ccccc1C#N
C=CCn1c(Cc2ccccc2)nnc1SCc1ccccc1C#N c1ccc(cc1)C[*:1] C=CCn1c(nnc1[*:1])SCc1ccccc1C#N
C=CCn1c(Cc2ccccc2)nnc1SCc1ccccc1C#N C=CC[*:1] N#Cc1ccccc1CSc1nnc(Cc2ccccc2)n1[*:1]
O=C(CC1CCC1)Nc1cccc(C[S@](=O)c2ccccc2)c1 C1CC(C1)[*:1] O=C(C[*:1])Nc1cccc(c1)C[S@](=O)c1ccccc1
O=C(CC1CCC1)Nc1cccc(C[S@](=O)c2ccccc2)c1 C1CC(C1)C[*:1] O=C(Nc1cccc(c1)C[S@](=O)c1ccccc1)[*:1]
O=C(CC1CCC1)Nc1cccc(C[S@](=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(CC1CCC1)Nc1cccc(c1)C[S@](=O)[*:1]
Cc1nn(C)cc1CN1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] Cc1nn(C)cc1CN1CCC[C@@H](C1)c1nc(ncc1[*:1])N(C)C
Cc1nn(C)cc1CN1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 Cc1nn(C)cc1[*:1] CN(C)c1ncc(-c2ccc(Cl)cc2)c(n1)[C@H]1CCCN(C1)C[*:1]
Cc1nn(C)cc1CN1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 Cc1nn(C)cc1C[*:1] CN(C)c1ncc(-c2ccc(Cl)cc2)c(n1)[C@H]1CCCN(C1)[*:1]
Cc1nn(C)cc1CN1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 CN(C)[*:1] Cc1nn(C)cc1CN1CCC[C@@H](C1)c1nc(ncc1-c1ccc(Cl)cc1)[*:1]
CN(Cc1ccco1)C(=O)c1cc2sccc2n1C1CCCC1 c1coc(c1)C[*:1] CN(C(=O)c1cc2sccc2n1C1CCCC1)[*:1]
CN(Cc1ccco1)C(=O)c1cc2sccc2n1C1CCCC1 c1coc(c1)[*:1] CN(C[*:1])C(=O)c1cc2sccc2n1C1CCCC1
CN(Cc1ccco1)C(=O)c1cc2sccc2n1C1CCCC1 C1CCC(C1)[*:1] CN(Cc1ccco1)C(=O)c1cc2sccc2n1[*:1]
CSC[C@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O CSC[*:1] C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H](C)[*:1]
CSC[C@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CSC[C@H](C)NC(=O)N(C)[C@@H](C)[*:1]
CSC[C@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CSC[C@H](C)NC(=O)N(C)[C@@H](C)C[*:1]
CSC[C@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O CSC[C@H](C)[*:1] C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[*:1]
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccc(c1)[*:1]
O=S1(=O)CCC(Sc2nnc(-c3ccc(Cl)s3)o2)CC1 Clc1ccc(s1)[*:1] O=S1(=O)CCC(CC1)Sc1nnc(o1)[*:1]
N#C/C(=C\c1ccccc1)C(=O)NC1CC1 C1CC1[*:1] N#C/C(=C\c1ccccc1)C(=O)N[*:1]
O=C(NCc1ccccc1)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] O=C(NCc1ccccc1)c1cc(ccc1F)[*:1]
O=C(NCc1ccccc1)c1cc(C(F)(F)F)ccc1F c1ccc(cc1)C[*:1] O=C(N[*:1])c1cc(ccc1F)C(F)(F)F
O=C(NCc1ccccc1)c1cc(C(F)(F)F)ccc1F c1ccc(cc1)[*:1] O=C(NC[*:1])c1cc(ccc1F)C(F)(F)F
C=CCOC(=O)[C@@H](NC(=O)c1cccs1)C(C)C c1csc(c1)[*:1] C=CCOC(=O)[C@@H](NC(=O)[*:1])C(C)C
C=CCOC(=O)[C@@H](NC(=O)c1cccs1)C(C)C C=CC[*:1] CC(C)[C@H](NC(=O)c1cccs1)C(=O)O[*:1]
C=CCOC(=O)[C@@H](NC(=O)c1cccs1)C(C)C C=CCOC(=O)[*:1] CC(C)[C@H](NC(=O)c1cccs1)[*:1]
C=CCOC(=O)[C@@H](NC(=O)c1cccs1)C(C)C CC(C)[*:1] C=CCOC(=O)[C@@H](NC(=O)c1cccs1)[*:1]
CC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)cc1 CC(=O)[*:1] O=C(CNS(=O)(=O)c1ccc(cc1)[*:1])Nc1cccc(F)c1
CC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)NCC(=O)N[*:1]
Cc1cc(Cn2c([C@@H](C)Cl)nc3cc(Cl)c(Cl)cc32)no1 Cc1cc(no1)[*:1] C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1C[*:1]
Cc1cc(Cn2c([C@@H](C)Cl)nc3cc(Cl)c(Cl)cc32)no1 Cc1cc(C[*:1])no1 C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1[*:1]
Cc1cc(Cn2c([C@@H](C)Cl)nc3cc(Cl)c(Cl)cc32)no1 C[C@@H](Cl)[*:1] Cc1cc(Cn2c(nc3cc(Cl)c(Cl)cc32)[*:1])no1
CNC(=O)Cc1nc(CN2CCN(C(=O)C3CCCCC3)CC2)cs1 C1CCC(CC1)[*:1] CNC(=O)Cc1nc(cs1)CN1CCN(CC1)C(=O)[*:1]
CNC(=O)Cc1nc(CN2CCN(C(=O)C3CCCCC3)CC2)cs1 CNC(=O)C[*:1] O=C(C1CCCCC1)N1CCN(CC1)Cc1csc(n1)[*:1]
CNC(=O)Cc1nc(CN2CCN(C(=O)C3CCCCC3)CC2)cs1 CNC(=O)[*:1] O=C(C1CCCCC1)N1CCN(CC1)Cc1csc(C[*:1])n1
CONS(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2C)cc1 CONS(=O)(=O)[*:1] Cc1cc(F)ccc1CCNC(=O)c1ccc(cc1)[*:1]
CONS(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2C)cc1 Cc1cc(F)ccc1[*:1] CONS(=O)(=O)c1ccc(cc1)C(=O)NCC[*:1]
C/[NH+]=C(/NC[C@H](C)CN1CCOCC1)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C C1CN(CCO1)C[*:1] C/[NH+]=C(/NC[C@H](C)[*:1])N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C
C/[NH+]=C(/NC[C@H](C)CN1CCOCC1)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C C1CN(CCO1)[*:1] C/[NH+]=C(/NC[C@H](C)C[*:1])N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C
Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cnc3[nH]nc(C)c3c2)c1 Cc1cnn(c1)[*:1] Cc1n[nH]c2ncc(cc12)C(=O)N1CCCC[C@H]1C[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cnc3[nH]nc(C)c3c2)c1 Cc1cnn(c1)C[*:1] Cc1n[nH]c2ncc(cc12)C(=O)N1CCCC[C@H]1[*:1]
C[C@H]1CN(c2cc(CNC(=O)C(C)(C)c3ccccc3F)cc[nH+]2)CCO1 Fc1ccccc1[*:1] C[C@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)C(C)(C)[*:1]
O=C1N[C@H](c2cnc(-c3cccs3)s2)Nc2cccc(Cl)c21 c1csc(c1)[*:1] O=C1N[C@@H](Nc2cccc(Cl)c21)c1cnc(s1)[*:1]
C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccccc1Cl NS(=O)(=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)S(=O)(=O)c1ccccc1Cl
C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](c1ccc(cc1)S(N)(=O)=O)N(C)S(=O)(=O)[*:1]
O=C[C@@H](O)[C@@H]1CCO[C@]2(CCOC2)C1 O=C[C@@H](O)[*:1] C1C[C@]2(CO1)C[C@@H](CCO2)[*:1]
CCN(Cc1ccccc1)C(=O)c1ccc2cc[nH]c2c1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)c1ccc2cc[nH]c2c1
CCN(Cc1ccccc1)C(=O)c1ccc2cc[nH]c2c1 c1ccc(cc1)C[*:1] CCN(C(=O)c1ccc2cc[nH]c2c1)[*:1]
CCCCn1nc(C)c(/C=C/C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1Cl CCCC[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
CCCCn1nc(C)c(/C=C/C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1Cl CCC[*:1] Cc1nn(C[*:1])c(Cl)c1/C=C/C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C
CC1(C)CC[C@@H](Sc2ccc(C(F)(F)F)cn2)[C@@H]1[NH3+] FC(F)(F)[*:1] CC1(C)CC[C@@H](Sc2ccc(cn2)[*:1])[C@@H]1[NH3+]
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CC1CCCC1)NC1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c(C)c1 C1CCC(C1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)NC(=O)C[*:1]
Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c(C)c1 C1CCC(C1)C[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)NC(=O)[*:1]
CCCc1oncc1C(=O)N1CCC[C@@H](N(C)CC[NH+](C)C)C1 CCC[*:1] CN(CC[NH+](C)C)[C@@H]1CCCN(C1)C(=O)c1cnoc1[*:1]
O=C(CNC(=O)c1ccccn1)N[C@@H]1CCCC[C@H]1OC1CCCC1 c1ccc(nc1)[*:1] O=C(CNC(=O)[*:1])N[C@@H]1CCCC[C@H]1OC1CCCC1
O=C(CNC(=O)c1ccccn1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(CNC(=O)c1ccccn1)N[C@@H]1CCCC[C@@H]1[*:1]
O=C(CNC(=O)c1ccccn1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(CNC(=O)c1ccccn1)N[C@@H]1CCCC[C@H]1O[*:1]
CC(C)[C@H](C)S[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CC(C)[C@H](C)S[C@@H](C)C(=O)N1CCN(CC1)[*:1]
CC(C)[C@H](C)S[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 CC(C)[*:1] C[C@H](S[C@@H](C)[*:1])C(=O)N1CCN(CC1)c1ncccn1
CC(C)(C)[C@@H](c1ccc(C(=O)N2CC[C@@H](c3cccnc3)C2)cc1)c1nnc(C2CC2)o1 c1cncc(c1)[*:1] CC(C)(C)[C@@H](c1ccc(cc1)C(=O)N1CC[C@@H](C1)[*:1])c1nnc(o1)C1CC1
CC(C)(C)[C@@H](c1ccc(C(=O)N2CC[C@@H](c3cccnc3)C2)cc1)c1nnc(C2CC2)o1 C1CC1[*:1] CC(C)(C)[C@@H](c1ccc(cc1)C(=O)N1CC[C@H](C1)c1cccnc1)c1nnc(o1)[*:1]
CC(C)(C)[C@@H](c1ccc(C(=O)N2CC[C@@H](c3cccnc3)C2)cc1)c1nnc(C2CC2)o1 CC(C)(C)[*:1] O=C(c1ccc(cc1)[C@@H](c1nnc(o1)C1CC1)[*:1])N1CC[C@H](C1)c1cccnc1
CC[C@H](C(=O)Nc1ccc(Br)c(N)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1ccc(Br)c(N)c1)[*:1]
O=C(c1ccc(OCC(F)F)nc1)N1CCCC[C@@H]1c1cn[nH]c1 FC(F)C[*:1] O=C(c1ccc(nc1)O[*:1])N1CCCC[C@@H]1c1cn[nH]c1
O=C(c1ccc(OCC(F)F)nc1)N1CCCC[C@@H]1c1cn[nH]c1 c1n[nH]cc1[*:1] O=C(c1ccc(nc1)OCC(F)F)N1CCCC[C@H]1[*:1]
O=C(c1ccc(OCC(F)F)nc1)N1CCCC[C@@H]1c1cn[nH]c1 FC(F)[*:1] O=C(c1ccc(nc1)OC[*:1])N1CCCC[C@@H]1c1cn[nH]c1
O=C(c1ccc(OCC(F)F)nc1)N1CCCC[C@@H]1c1cn[nH]c1 FC(F)CO[*:1] O=C(c1ccc(nc1)[*:1])N1CCCC[C@@H]1c1cn[nH]c1
CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(OC)ccc1OC CC[C@H](C)[*:1] COc1ccc(OC)c(c1)N1/C(=N\C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
COCCOCCNC(=O)c1cc2cc(C)c(C)cc2o1 COC[*:1] Cc1cc2cc(oc2cc1C)C(=O)NCCOC[*:1]
COCCOCCNC(=O)c1cc2cc(C)c(C)cc2o1 COCCO[*:1] Cc1cc2cc(oc2cc1C)C(=O)NCC[*:1]
COCCOCCNC(=O)c1cc2cc(C)c(C)cc2o1 COCC[*:1] Cc1cc2cc(oc2cc1C)C(=O)NCCO[*:1]
COCCOCCNC(=O)c1cc2cc(C)c(C)cc2o1 COCCOC[*:1] Cc1cc2cc(oc2cc1C)C(=O)NC[*:1]
COCCOCCNC(=O)c1cc2cc(C)c(C)cc2o1 COCCOCC[*:1] Cc1cc2cc(oc2cc1C)C(=O)N[*:1]
O=C(Cc1c[nH]c2ccc(Cl)cc12)NCCCCn1cnnc1 c1nncn1C[*:1] O=C(Cc1c[nH]c2ccc(Cl)cc12)NCCC[*:1]
O=C(Cc1c[nH]c2ccc(Cl)cc12)NCCCCn1cnnc1 c1nncn1[*:1] O=C(Cc1c[nH]c2ccc(Cl)cc12)NCCCC[*:1]
O=C(Cc1c[nH]c2ccc(Cl)cc12)NCCCCn1cnnc1 c1nncn1CC[*:1] O=C(Cc1c[nH]c2ccc(Cl)cc12)NCC[*:1]
C[C@@H]([NH2+]CC1CCC1)C(=O)NC1CCCCC1 C1CC(C1)[*:1] C[C@@H]([NH2+]C[*:1])C(=O)NC1CCCCC1
C[C@@H]([NH2+]CC1CCC1)C(=O)NC1CCCCC1 C1CC(C1)C[*:1] C[C@@H]([NH2+][*:1])C(=O)NC1CCCCC1
C[C@H](NCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 c1ccc(cc1)[*:1] C[C@H](NCC(=O)N1c2ccccc2OC[C@@H]1[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](NCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)c1ccc(cc1)[*:1]
C[C@H](NCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] C[C@H](NCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)[*:1]
COc1ccccc1C(C)(C)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 COc1ccccc1[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)CNC(C)(C)[*:1]
COc1ccccc1C(C)(C)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 CC(C)[*:1] COc1ccccc1C(C)(C)NCC(=O)N1CCN(CC1)[C@H](C#N)[*:1]
COCCCC(=O)/N=c1\[nH]c2ccccc2n1C1CCCC1 C1CCC(C1)[*:1] COCCCC(=O)/N=c1\[nH]c2ccccc2n1[*:1]
COCCCC(=O)/N=c1\[nH]c2ccccc2n1C1CCCC1 COCC[*:1] O=C(C[*:1])/N=c1\[nH]c2ccccc2n1C1CCCC1
COCCCC(=O)/N=c1\[nH]c2ccccc2n1C1CCCC1 COCCC[*:1] O=C(/N=c1\[nH]c2ccccc2n1C1CCCC1)[*:1]
COCCCC(=O)/N=c1\[nH]c2ccccc2n1C1CCCC1 COC[*:1] O=C(CC[*:1])/N=c1\[nH]c2ccccc2n1C1CCCC1
C[NH2+][C@H](CCC(C)(C)C)[C@@H]1CN(C)CCO1 CC(C)(C)C[*:1] C[NH2+][C@H](C[*:1])[C@@H]1CN(C)CCO1
C[NH2+][C@H](CCC(C)(C)C)[C@@H]1CN(C)CCO1 CC(C)(C)[*:1] C[NH2+][C@H](CC[*:1])[C@@H]1CN(C)CCO1
O=C(Nc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])[C@H]1CCC[NH2+]1
Cc1cccc(NC(=O)c2cccc(-n3cccn3)c2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1cccc(c1)-n1cccn1
Cc1cccc(NC(=O)c2cccc(-n3cccn3)c2)n1 c1cnn(c1)[*:1] Cc1cccc(n1)NC(=O)c1cccc(c1)[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)NCCc2cc(F)ccc2F)n1 Fc1ccc(F)c(c1)[*:1] Cc1cc(C)n(C[C@@H](C)CNC(=O)NCC[*:1])n1
Cc1cc(C)n(C[C@@H](C)CNC(=O)NCCc2cc(F)ccc2F)n1 Cc1cc(C)n(C[*:1])n1 C[C@@H](CNC(=O)NCCc1cc(F)ccc1F)[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)NCCc2cc(F)ccc2F)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](CNC(=O)NCCc1cc(F)ccc1F)C[*:1]
CCCN(CCO)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] CCCN(CCO)C(=O)N[*:1]
CCCN(CCO)C(=O)NCC(F)(F)F CCC[*:1] O=C(NCC(F)(F)F)N(CCO)[*:1]
CCCN(CCO)C(=O)NCC(F)(F)F OCC[*:1] CCCN(C(=O)NCC(F)(F)F)[*:1]
CCCN(CCO)C(=O)NCC(F)(F)F FC(F)(F)[*:1] CCCN(CCO)C(=O)NC[*:1]
C[C@H](NC(=O)NC[C@@](C)(O)c1cccs1)c1cccc(C#N)c1 c1csc(c1)[*:1] C[C@H](NC(=O)NC[C@@](C)(O)[*:1])c1cccc(C#N)c1
CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@@H]1CCC[C@@H](C2CC2)C1 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)N[C@@H]1CCC[C@H](C1)C1CC1
CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@@H]1CCC[C@@H](C2CC2)C1 C1CC1[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
Cc1ccc(NC(=O)NC[C@H]2CC=CCC2)cc1N1CCCS1(=O)=O O=S1(=O)CCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)NC[C@H]1CC=CCC1
CCOC(=O)/C=c1\[nH]c(=O)/c(=C\c2ccc(-c3ccccc3)cc2)s1 c1ccc(cc1)[*:1] CCOC(=O)/C=c1\[nH]c(=O)/c(=C\c2ccc(cc2)[*:1])s1
CCOC(=O)/C=c1\[nH]c(=O)/c(=C\c2ccc(-c3ccccc3)cc2)s1 CCOC(=O)[*:1] O=c1[nH]c(=C[*:1])s/c1=C/c1ccc(cc1)-c1ccccc1
CC(C)N(C[C@@H]1C[C@H]1C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CC(C)N(C[C@@H]1C[C@H]1C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC(C)N(C[C@@H]1C[C@H]1C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 CC(C)[*:1] C[C@H](NC(=O)N(C[C@@H]1C[C@H]1C)[*:1])c1ccc(cc1)-n1ccnc1
Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCc1ccccn1 c1ccc(C[*:1])nc1 Cc1oc(cc1C(=O)NC[*:1])-c1ccccc1Cl
Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] Cc1oc(cc1C(=O)NCC[*:1])-c1ccccc1Cl
Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCc1ccccn1 Clc1ccccc1[*:1] Cc1oc(cc1C(=O)NCCc1ccccn1)[*:1]
Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCc1ccccn1 c1ccc(CC[*:1])nc1 Cc1oc(cc1C(=O)N[*:1])-c1ccccc1Cl
C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)C(C)(C)CO1 c1cc(ccn1)[*:1] C[C@@H]1CN(C(=O)[C@H]2CCCN(C2)C(=O)[*:1])C(C)(C)CO1
COc1ccccc1NC(=O)N1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 COc1ccccc1[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])NCC1CCN(CC1)C(=O)N[*:1]
COc1ccccc1NC(=O)N1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])c1ccc(cc1)C[*:1] COc1ccccc1NC(=O)N1CCC(CC1)CNC(=O)[*:1]
COc1ccccc1NC(=O)N1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccccc1NC(=O)N1CCC(CC1)CNC(=O)C[*:1]
COc1ccccc1NC(=O)N1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] COc1ccccc1NC(=O)N1CCC(CC1)CNC(=O)Cc1ccc(cc1)[*:1]
CC(C)CS(=O)(=O)[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 CC(C)C[*:1] C[C@H](C(=O)Nc1ccc(Cl)c(N)c1)S(=O)(=O)[*:1]
CC(C)CS(=O)(=O)[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 CC(C)[*:1] C[C@H](C(=O)Nc1ccc(Cl)c(N)c1)S(=O)(=O)C[*:1]
Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)N[*:1]
CN(C(=O)c1ccc(COc2ccccc2)o1)C1CCCCC1 c1ccc(cc1)O[*:1] CN(C(=O)c1ccc(C[*:1])o1)C1CCCCC1
CN(C(=O)c1ccc(COc2ccccc2)o1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1ccc(COc2ccccc2)o1)[*:1]
CN(C(=O)c1ccc(COc2ccccc2)o1)C1CCCCC1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(CO[*:1])o1)C1CCCCC1
C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 O=[N+]([O-])[*:1] C[C@@H]1CCCN(C1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
COC(=O)c1cccc(N[C@H](C)c2ccccc2Br)n1 COC(=O)[*:1] C[C@@H](Nc1cccc(n1)[*:1])c1ccccc1Br
COc1ccc(-n2cc(CNC(=O)[C@@H](C)CSC)nn2)cc1 CSC[*:1] COc1ccc(cc1)-n1cc(CNC(=O)[C@@H](C)[*:1])nn1
COCCN(Cc1ccc(C#N)cc1)C(=O)C1CC[NH+](C)CC1 COC[*:1] C[NH+]1CCC(CC1)C(=O)N(Cc1ccc(C#N)cc1)C[*:1]
COCCN(Cc1ccc(C#N)cc1)C(=O)C1CC[NH+](C)CC1 COCC[*:1] C[NH+]1CCC(CC1)C(=O)N(Cc1ccc(C#N)cc1)[*:1]
Cc1ccc([C@H](NC(=O)c2cccc(C#N)c2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](NC(=O)c1cccc(C#N)c1)[*:1]
Cc1ccc([C@H](NC(=O)c2cccc(C#N)c2)C2CC2)cc1 Cc1ccc(cc1)[*:1] N#Cc1cccc(c1)C(=O)N[C@H](C1CC1)[*:1]
O=C([O-])[C@H](Cc1ccccn1)[C@H]1CCS(=O)(=O)C1 c1ccc(nc1)[*:1] O=C([O-])[C@H](C[*:1])[C@H]1CCS(=O)(=O)C1
O=C([O-])[C@H](Cc1ccccn1)[C@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] O=S1(=O)CC[C@@H](C1)[C@@H](Cc1ccccn1)[*:1]
NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC=CCC2)cc1 NC(=O)[*:1] O=C(N[C@@H]1CC=CCC1)c1ccc(cc1)S(=O)(=O)C[*:1]
NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC=CCC2)cc1 NC(=O)C[*:1] O=C(N[C@@H]1CC=CCC1)c1ccc(cc1)S(=O)(=O)[*:1]
NC(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC=CCC2)cc1 NC(=O)CS(=O)(=O)[*:1] O=C(N[C@@H]1CC=CCC1)c1ccc(cc1)[*:1]
CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC2)c1 Fc1ccc(cc1)[*:1] CN(S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCCC1)[*:1]
CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
C[C@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1cccc(C#N)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1cccc(C#N)c1 C[C@H](c1ccccc1)[*:1] C[C@H](NC(=O)NCC(C)(C)[NH2+][*:1])c1cccc(C#N)c1
C[C@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[*:1]
O=C([O-])CCC(=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C([O-])CCC(=O)Nc1ccc(cc1)OC[*:1]
O=C([O-])CCC(=O)Nc1ccc(OCc2ccccc2)cc1 O=C([O-])CC[*:1] O=C(Nc1ccc(cc1)OCc1ccccc1)[*:1]
O=C([O-])CCC(=O)Nc1ccc(OCc2ccccc2)cc1 O=C([O-])[*:1] O=C(CC[*:1])Nc1ccc(cc1)OCc1ccccc1
O=C([O-])CCC(=O)Nc1ccc(OCc2ccccc2)cc1 O=C([O-])C[*:1] O=C(C[*:1])Nc1ccc(cc1)OCc1ccccc1
O=C([O-])CCC(=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C([O-])CCC(=O)Nc1ccc(cc1)O[*:1]
CC(C)CC[NH+]1CCN(CN2CCOC2=S)CC1 CC(C)CC[*:1] S=C1OCCN1CN1CC[NH+](CC1)[*:1]
CC(C)CC[NH+]1CCN(CN2CCOC2=S)CC1 CC(C)[*:1] S=C1OCCN1CN1CC[NH+](CC1)CC[*:1]
CC(C)CC[NH+]1CCN(CN2CCOC2=S)CC1 S=C1OCCN1[*:1] CC(C)CC[NH+]1CCN(CC1)C[*:1]
CC(C)CC[NH+]1CCN(CN2CCOC2=S)CC1 CC(C)C[*:1] S=C1OCCN1CN1CC[NH+](CC1)C[*:1]
COc1cccc(-n2cc(CNC(=O)[C@@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)nn2)c1 COc1cccc(c1)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@H](C1)C(=O)NCc1cn(nn1)[*:1]
COc1cccc(-n2cc(CNC(=O)[C@@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)nn2)c1 Cc1cc(C)cc(c1)[*:1] COc1cccc(c1)-n1cc(CNC(=O)[C@@H]2CCCN(C2)C(=O)[*:1])nn1
CC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)Cc1ccn[nH]1 c1cc([nH]n1)[*:1] CC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)C[*:1]
CC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)Cc1ccn[nH]1 c1cc(C[*:1])[nH]n1 CC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)[*:1]
CC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)Cc1ccn[nH]1 O=C([O-])[*:1] CC[C@@H]1SC[C@H](N1C(=O)Cc1ccn[nH]1)[*:1]
CCc1ccccc1NC(=O)C(=O)N[C@H](C)c1nc2ccccc2[nH]1 CCc1ccccc1[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1nc2ccccc2[nH]1
CC1(C)CC(=O)c2cc(C(=O)N3CCCC(C)(C)C3)c(=O)n(-c3ccccc3)c2C1 CC1(C)CCCN(C1)C(=O)[*:1] CC1(C)CC(=O)c2cc(c(=O)n(-c3ccccc3)c2C1)[*:1]
CC1(C)CC(=O)c2cc(C(=O)N3CCCC(C)(C)C3)c(=O)n(-c3ccccc3)c2C1 c1ccc(cc1)[*:1] CC1(C)CC(=O)c2cc(C(=O)N3CCCC(C)(C)C3)c(=O)n(c2C1)[*:1]
Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)n1 Cc1n[nH]c(n1)[*:1] CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)[*:1]
Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)n1 CC(C)(C)[*:1] Cc1n[nH]c(n1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CN(Cc1ccccc1N1CCCC1)S(=O)(=O)[*:1]
CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(F)c(F)c1 C1CCN(C1)[*:1] CN(Cc1ccccc1[*:1])S(=O)(=O)c1ccc(F)c(F)c1
CC1=C(Cc2nc(CCc3ccccc3)nn2-c2ccc(F)cc2)C(=O)N=N1 c1ccc(cc1)CC[*:1] CC1N=NC(=O)C=1Cc1nc(nn1-c1ccc(F)cc1)[*:1]
CC1=C(Cc2nc(CCc3ccccc3)nn2-c2ccc(F)cc2)C(=O)N=N1 c1ccc(cc1)C[*:1] CC1N=NC(=O)C=1Cc1nc(C[*:1])nn1-c1ccc(F)cc1
CC1=C(Cc2nc(CCc3ccccc3)nn2-c2ccc(F)cc2)C(=O)N=N1 c1ccc(cc1)[*:1] CC1N=NC(=O)C=1Cc1nc(CC[*:1])nn1-c1ccc(F)cc1
CC1=C(Cc2nc(CCc3ccccc3)nn2-c2ccc(F)cc2)C(=O)N=N1 Fc1ccc(cc1)[*:1] CC1N=NC(=O)C=1Cc1nc(CCc2ccccc2)nn1[*:1]
CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCc2ncccc2C1 CC(C)[*:1] C[C@@H](C(=O)N1CCc2ncccc2C1)n1cc[nH+]c1[*:1]
C#CCN(C(=O)c1ccccc1C(F)(F)F)C1CCCCC1 FC(F)(F)[*:1] C#CCN(C(=O)c1ccccc1[*:1])C1CCCCC1
C#CCN(C(=O)c1ccccc1C(F)(F)F)C1CCCCC1 C1CCC(CC1)[*:1] C#CCN(C(=O)c1ccccc1C(F)(F)F)[*:1]
C#CCN(C(=O)c1ccccc1C(F)(F)F)C1CCCCC1 C#CC[*:1] O=C(c1ccccc1C(F)(F)F)N(C1CCCCC1)[*:1]
O=C(NCc1csc(N2CCCC2)n1)c1cccc(Cn2cccn2)c1 C1CCN(C1)[*:1] O=C(NCc1csc(n1)[*:1])c1cccc(c1)Cn1cccn1
O=C(NCc1csc(N2CCCC2)n1)c1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] O=C(NCc1csc(n1)N1CCCC1)c1cccc(c1)C[*:1]
O=C(NCc1csc(N2CCCC2)n1)c1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] O=C(NCc1csc(n1)N1CCCC1)c1cccc(c1)[*:1]
CC(C)CS(=O)(=O)[N-]c1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)c1ccc(cc1)[N-]S(=O)(=O)C[*:1]
CC(C)CS(=O)(=O)[N-]c1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)CS(=O)(=O)[N-]c1ccc(cc1)[*:1]
CC(C)CS(=O)(=O)[N-]c1ccc(C(C)C)cc1 CC(C)C[*:1] CC(C)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
COC(=O)c1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1 O=C([O-])[*:1] COC(=O)c1ccc(cc1)[C@H]1CC(=O)Nc2c(cn(-c3ccccc3)c21)[*:1]
COC(=O)c1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1CC(=O)Nc2c(cn(c21)[*:1])C(=O)[O-]
COC(=O)c1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1 COC(=O)[*:1] O=C1C[C@H](c2ccc(cc2)[*:1])c2c(N1)c(cn2-c1ccccc1)C(=O)[O-]
C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@@H]1CN(CC[C@H]1[NH2+]Cc1ccc(cc1)[*:1])C(=O)C1CC1
C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 C1CC1[*:1] C[C@@H]1CN(CC[C@H]1[NH2+]Cc1ccc(cc1)C(N)=O)C(=O)[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)c1 Cc1nn(C)c(C)c1[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)C[*:1]
COc1cccc(CC(=O)N2CCCC[C@@H]2Cn2cccn2)c1 c1cnn(c1)[*:1] COc1cccc(c1)CC(=O)N1CCCC[C@@H]1C[*:1]
COc1cccc(CC(=O)N2CCCC[C@@H]2Cn2cccn2)c1 c1cnn(c1)C[*:1] COc1cccc(c1)CC(=O)N1CCCC[C@H]1[*:1]
COc1ccc([C@H]2SCC(=O)N2Cc2cn3ccccc3n2)cc1 COc1ccc(cc1)[*:1] O=C1CS[C@@H](N1Cc1cn2ccccc2n1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCN2C(=O)CSc3ccccc32)CC1 O=C1CSc2ccccc2N1[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)CC[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCN2C(=O)CSc3ccccc32)CC1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)CCN1C(=O)CSc2ccccc21
O=[S@@](Cc1ncc(-c2cccs2)o1)c1ncccc1Cl c1csc(c1)[*:1] O=[S@@](Cc1ncc(o1)[*:1])c1ncccc1Cl
CCOc1ccccc1/C=N/NC(=O)CC1=C[C@H](O)N=N1 CCO[*:1] O=C(CC1=C[C@H](O)N=N1)N/N=C/c1ccccc1[*:1]
CCn1cc(C(=O)Nc2nc(-c3ccco3)cs2)cn1 c1coc(c1)[*:1] CCn1cc(cn1)C(=O)Nc1nc(cs1)[*:1]
CCc1cnc(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)o1 c1coc(c1)[*:1] CCc1cnc(CN2C(=O)N[C@@](C)(C2=O)[*:1])o1
CCc1cnc(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)o1 CCc1cnc(o1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccco1
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC(C)(C)c1ccccc1 CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)NCC(C)(C)c1ccccc1
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC(C)(C)[*:1]
O=C(OCc1nnc(-c2ccco2)o1)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 c1ccc(cc1)[*:1] O=C(OCc1nnc(o1)-c1ccco1)[C@@H]1CS[C@@]2(CCC(=O)N12)[*:1]
O=C(OCc1nnc(-c2ccco2)o1)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 c1coc(c1)[*:1] O=C(OCc1nnc(o1)[*:1])[C@@H]1CS[C@@]2(CCC(=O)N12)c1ccccc1
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)c2ccccc2)[C@@H]1c1cccs1 CC(C)C[*:1] CN(C(=O)[C@H]1c2ccccc2C(=O)N([C@H]1c1cccs1)[*:1])c1ccccc1
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)c2ccccc2)[C@@H]1c1cccs1 CC(C)[*:1] CN(C(=O)[C@H]1c2ccccc2C(=O)N(C[*:1])[C@H]1c1cccs1)c1ccccc1
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)c2ccccc2)[C@@H]1c1cccs1 CN(C(=O)[*:1])c1ccccc1 CC(C)CN1C(=O)c2ccccc2[C@H]([C@@H]1c1cccs1)[*:1]
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)c2ccccc2)[C@@H]1c1cccs1 c1csc(c1)[*:1] CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)c2ccccc2)[C@H]1[*:1]
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)c2ccccc2)[C@@H]1c1cccs1 c1ccc(cc1)[*:1] CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)[*:1])[C@@H]1c1cccs1
Cc1csc(N2CCN(C(=O)Nc3ccc(Br)c(C)c3)CC2)n1 Cc1csc(n1)[*:1] Cc1cc(ccc1Br)NC(=O)N1CCN(CC1)[*:1]
Cc1cc(N)nc(S(C)(=O)=O)n1 CS(=O)(=O)[*:1] Cc1cc(N)nc(n1)[*:1]
C[C@H]1C[C@H]1NC(=O)N[C@@H]1CCN(C(=O)c2cccnc2)C1 c1cncc(c1)[*:1] C[C@H]1C[C@H]1NC(=O)N[C@@H]1CCN(C1)C(=O)[*:1]
C[C@H]1C[C@H]1NC(=O)N[C@@H]1CCN(C(=O)c2cccnc2)C1 C[C@H]1C[C@@H]1[*:1] O=C(N[C@@H]1CCN(C1)C(=O)c1cccnc1)N[*:1]
O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@H]1c1ccccc1 FC(F)[*:1] O=C(c1ccc(cc1)S(=O)(=O)[*:1])N1CCC[C@H]1c1ccccc1
O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)C(F)F)N1CCC[C@@H]1[*:1]
O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@H]1c1ccccc1 O=S(=O)(C(F)F)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H]1c1ccccc1
COc1ccc(C[C@H](C)C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)cc1 COc1ccc(cc1)[*:1] C[C@@H](C[*:1])C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
COc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)s2)cc(OC)c1OC O=S(=O)(N1CCCCCC1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)c1ccc(s1)[*:1]
CCOC(=O)C1CCN(C(=S)NC(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C=C[*:1]
CCOC(=O)C1CCN(C(=S)NC(=O)/C=C/c2ccccc2)CC1 CCOC(=O)[*:1] O=C(/C=C/c1ccccc1)NC(=S)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(C(=S)NC(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 CCOC(=O)C1CCN(CC1)C(=S)NC(=O)[*:1]
CNS(=O)(=O)c1ccccc1CNCc1cn(C)nc1-c1cccs1 CNS(=O)(=O)[*:1] Cn1cc(CNCc2ccccc2[*:1])c(n1)-c1cccs1
CNS(=O)(=O)c1ccccc1CNCc1cn(C)nc1-c1cccs1 c1csc(c1)[*:1] CNS(=O)(=O)c1ccccc1CNCc1cn(C)nc1[*:1]
C[C@H]1CN(c2cc(SCC(=O)c3ccc(Br)cc3)ncn2)C[C@@H](C)O1 Brc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)SCC(=O)[*:1]
CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]Cc3ccncc3)C2=O)cc1 CC(C)[*:1] O=C1N(CCC[C@]1(O)C[NH2+]Cc1ccncc1)Cc1ccc(cc1)[*:1]
CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]Cc3ccncc3)C2=O)cc1 c1cc(ccn1)[*:1] CC(C)c1ccc(cc1)CN1CCC[C@](O)(C[NH2+]C[*:1])C1=O
CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]Cc3ccncc3)C2=O)cc1 CC(C)c1ccc(cc1)[*:1] O=C1N(CCC[C@]1(O)C[NH2+]Cc1ccncc1)C[*:1]
CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]Cc3ccncc3)C2=O)cc1 c1cc(ccn1)C[*:1] CC(C)c1ccc(cc1)CN1CCC[C@](O)(C[NH2+][*:1])C1=O
Cc1ccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)c(O)c1 O=C1CCCN1[*:1] Cc1ccc(NC(=O)COc2ccc(cc2)[*:1])c(O)c1
Cc1ccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)c(O)c1 Cc1ccc(c(O)c1)[*:1] O=C(COc1ccc(cc1)N1CCCC1=O)N[*:1]
COC(=O)CN(c1ncc([N+](=O)[O-])cc1Br)C(C)C COC(=O)C[*:1] CC(C)N(c1ncc(cc1Br)[N+](=O)[O-])[*:1]
COC(=O)CN(c1ncc([N+](=O)[O-])cc1Br)C(C)C COC(=O)[*:1] CC(C)N(C[*:1])c1ncc(cc1Br)[N+](=O)[O-]
COC(=O)CN(c1ncc([N+](=O)[O-])cc1Br)C(C)C O=[N+]([O-])[*:1] COC(=O)CN(c1ncc(cc1Br)[*:1])C(C)C
COC(=O)CN(c1ncc([N+](=O)[O-])cc1Br)C(C)C CC(C)[*:1] COC(=O)CN(c1ncc(cc1Br)[N+](=O)[O-])[*:1]
CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)c2c3c(sc21)CCCC3 Clc1ccc(cc1Cl)[*:1] CC[C@@H](C)NC(=O)Cn1c(=O)n(c(=O)c2c3CCCCc3sc21)[*:1]
CC(C)(C)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Br)c1 c1cc2OCOc2cc1C[*:1] CC(C)(C)c1ccc(OCC(=O)N2CCN(CC2)[*:1])c(Br)c1
CC(C)(C)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Br)c1 CC(C)(C)[*:1] O=C(COc1ccc(cc1Br)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
CC(C)(C)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Br)c1 c1cc2OCOc2cc1[*:1] CC(C)(C)c1ccc(OCC(=O)N2CCN(CC2)C[*:1])c(Br)c1
CCC1(CNC(=O)c2ccc(Cl)c([N-]S(C)(=O)=O)c2)CCC1 CCC1(CCC1)[*:1] CS(=O)(=O)[N-]c1cc(ccc1Cl)C(=O)NC[*:1]
CCC1(CNC(=O)c2ccc(Cl)c([N-]S(C)(=O)=O)c2)CCC1 CCC1(CCC1)C[*:1] CS(=O)(=O)[N-]c1cc(ccc1Cl)C(=O)N[*:1]
C=C(Br)CCCCC#N C=C(Br)[*:1] N#CCCCC[*:1]
C=C(Br)CCCCC#N N#CC[*:1] C=C(Br)CCC[*:1]
Cc1cc(CNC(=O)c2cc(C)sc2NC(=O)C(C)(C)C)[nH]n1 CC(C)(C)C(=O)N[*:1] Cc1cc(CNC(=O)c2cc(C)sc2[*:1])[nH]n1
Cc1cc(CNC(=O)c2cc(C)sc2NC(=O)C(C)(C)C)[nH]n1 CC(C)(C)[*:1] Cc1cc(CNC(=O)c2cc(C)sc2NC(=O)[*:1])[nH]n1
Cc1cc(CNC(=O)c2cc(C)sc2NC(=O)C(C)(C)C)[nH]n1 Cc1cc(C[*:1])[nH]n1 Cc1cc(C(=O)N[*:1])c(NC(=O)C(C)(C)C)s1
Cc1cc(CNC(=O)c2cc(C)sc2NC(=O)C(C)(C)C)[nH]n1 Cc1cc([nH]n1)[*:1] Cc1cc(C(=O)NC[*:1])c(NC(=O)C(C)(C)C)s1
CC(C)c1ocnc1COc1cccc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(C)c1ocnc1COc1cccc(c1)C(=O)N[*:1]
CC(C)c1ocnc1COc1cccc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)c1ocnc1COc1cccc(c1)C(=O)NC[*:1]
CC(C)c1ocnc1COc1cccc(C(=O)NCc2ccccc2)c1 CC(C)[*:1] O=C(NCc1ccccc1)c1cccc(c1)OCc1ncoc1[*:1]
CCOc1ccccc1[C@H]1[C@H](C#N)C(=O)N=C(SC)[C@H]1C#N CCO[*:1] CSC1=NC(=O)[C@@H](C#N)[C@H](c2ccccc2[*:1])[C@@H]1C#N
C[C@@H](CCCO)NC(=O)C(=O)Nc1cccc(-c2nccs2)c1 c1csc(n1)[*:1] C[C@@H](CCCO)NC(=O)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](CCCO)NC(=O)C(=O)Nc1cccc(-c2nccs2)c1 OCCC[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(c1)-c1nccs1)[*:1]
C[C@@H](CCCO)NC(=O)C(=O)Nc1cccc(-c2nccs2)c1 OCC[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1cccc(c1)-c1nccs1
Cc1ccccc1S(=O)(=O)N1CCN(C)c2ccccc21 Cc1ccccc1[*:1] CN1CCN(c2ccccc21)S(=O)(=O)[*:1]
O=C(NCc1cccc(Cl)c1)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(NCc1cccc(Cl)c1)N[C@H]1CCCN(C[*:1])C1=O
O=C(NCc1cccc(Cl)c1)N[C@H]1CCCN(Cc2ccccc2)C1=O Clc1cccc(c1)[*:1] O=C(NC[*:1])N[C@H]1CCCN(Cc2ccccc2)C1=O
O=C(NCc1cccc(Cl)c1)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] O=C(NCc1cccc(Cl)c1)N[C@H]1CCCN(C1=O)[*:1]
O=C(NCc1cccc(Cl)c1)N[C@H]1CCCN(Cc2ccccc2)C1=O Clc1cccc(c1)C[*:1] O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[*:1]
CCOC(=O)c1cc(C(=O)Nc2cccnc2)cc([N+](=O)[O-])c1 CCOC(=O)[*:1] O=C(Nc1cccnc1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CCOC(=O)c1cc(C(=O)Nc2cccnc2)cc([N+](=O)[O-])c1 c1cncc(c1)[*:1] CCOC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N[*:1]
CCOC(=O)c1cc(C(=O)Nc2cccnc2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)c1cc(cc(c1)[*:1])C(=O)Nc1cccnc1
C[C@@H]1CC(C(=O)OCCCc2ccncc2)C[C@@H](C)O1 c1cc(ccn1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)OCCC[*:1]
C[C@H]1CN([C@@H](C)CNC(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H](C)O1 CN(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@@H](C)CNC(=O)NCc1ccc[nH+]c1[*:1]
C[C@H]1CN([C@@H](C)CNC(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)[*:1] C[C@@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[*:1]
CCc1nc(N2CCC[C@@H](C(=O)[O-])C2)c2c(C)c(C)oc2n1 O=C([O-])[*:1] CCc1nc(c2c(C)c(C)oc2n1)N1CCC[C@@H](C1)[*:1]
[NH3+][C@H]1CC[C@@H](OCC(=O)NC2CC2)C1 C1CC1[*:1] [NH3+][C@H]1CC[C@H](C1)OCC(=O)N[*:1]
c1nc(Sc2nnc(NC[C@@H]3CCCO3)s2)c2sccc2n1 C1CO[C@@H](C1)[*:1] c1nc(Sc2nnc(NC[*:1])s2)c2sccc2n1
c1nc(Sc2nnc(NC[C@@H]3CCCO3)s2)c2sccc2n1 C1CO[C@@H](C1)C[*:1] c1nc(Sc2nnc(N[*:1])s2)c2sccc2n1
c1nc(Sc2nnc(NC[C@@H]3CCCO3)s2)c2sccc2n1 C1CO[C@@H](C1)CN[*:1] c1nc(Sc2nnc(s2)[*:1])c2sccc2n1
Cc1ccc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1 Cc1ccc(cc1)[*:1] CN(CCCc1cc(n[nH]1)-c1ccccc1)C(=O)[*:1]
Cc1ccc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N(C)CCCc1cc(n[nH]1)[*:1]
COC[C@H](C)C(=O)O[C@H](C)c1ccccc1N(C)C CN(C)[*:1] COC[C@H](C)C(=O)O[C@H](C)c1ccccc1[*:1]
COC[C@H](C)C(=O)O[C@H](C)c1ccccc1N(C)C COC[*:1] C[C@H](C(=O)O[C@H](C)c1ccccc1N(C)C)[*:1]
COC[C@H](C)C(=O)O[C@H](C)c1ccccc1N(C)C COC[C@H](C)[*:1] C[C@@H](OC(=O)[*:1])c1ccccc1N(C)C
CC(=O)NN1C(=O)O[C@@](C)(CCc2ccccc2)[C@]1(C)O c1ccc(cc1)C[*:1] CC(=O)NN1C(=O)O[C@@](C)(C[*:1])[C@]1(C)O
CC(=O)NN1C(=O)O[C@@](C)(CCc2ccccc2)[C@]1(C)O c1ccc(cc1)[*:1] CC(=O)NN1C(=O)O[C@@](C)(CC[*:1])[C@]1(C)O
COc1cc(OC)cc([C@H](O)CNc2cncc(-n3ccnc3C)n2)c1 Cc1nccn1[*:1] COc1cc(cc(c1)[C@H](O)CNc1cncc(n1)[*:1])OC
CC(=O)[C@H](c1nc(-c2cncc(Br)c2)no1)C(C)C CC(C)[*:1] CC(=O)[C@H](c1nc(no1)-c1cncc(Br)c1)[*:1]
CC(=O)[C@H](c1nc(-c2cncc(Br)c2)no1)C(C)C CC(=O)[*:1] CC(C)[C@@H](c1nc(no1)-c1cncc(Br)c1)[*:1]
CS(=O)(=O)c1cc(S(=O)(=O)NCCc2c(F)cccc2F)ccc1F CS(=O)(=O)[*:1] O=S(=O)(NCCc1c(F)cccc1F)c1ccc(F)c(c1)[*:1]
CS(=O)(=O)c1cc(S(=O)(=O)NCCc2c(F)cccc2F)ccc1F Fc1cccc(F)c1[*:1] CS(=O)(=O)c1cc(ccc1F)S(=O)(=O)NCC[*:1]
C[C@@H](O)CN(C)C(=O)N[C@H](C)CCc1ccc(O)cc1 C[C@@H](O)[*:1] C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)C[*:1]
C[C@@H](O)CN(C)C(=O)N[C@H](C)CCc1ccc(O)cc1 C[C@@H](O)C[*:1] C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)[*:1]
Cc1cccc(-c2c(C)nn3c(C)c(C(=O)Nc4ccc(F)cc4F)cnc23)c1 Cc1cccc(c1)[*:1] Cc1nn2c(C)c(cnc2c1[*:1])C(=O)Nc1ccc(F)cc1F
Cc1cccc(-c2c(C)nn3c(C)c(C(=O)Nc4ccc(F)cc4F)cnc23)c1 Fc1ccc(c(F)c1)[*:1] Cc1cccc(c1)-c1c(C)nn2c(C)c(cnc12)C(=O)N[*:1]
CC[C@@H](C)N(CC)c1nc(C(C)C)c(C(=O)[O-])s1 O=C([O-])[*:1] CC[C@@H](C)N(CC)c1nc(c(s1)[*:1])C(C)C
CC[C@@H](C)N(CC)c1nc(C(C)C)c(C(=O)[O-])s1 CC[C@@H](C)[*:1] CCN(c1nc(c(s1)C(=O)[O-])C(C)C)[*:1]
CC[C@@H](C)N(CC)c1nc(C(C)C)c(C(=O)[O-])s1 CC(C)[*:1] CC[C@@H](C)N(CC)c1nc(c(s1)C(=O)[O-])[*:1]
CC(C)NC(=O)c1ccc(NCc2ccc(F)c(Br)c2)cc1 CC(C)[*:1] O=C(N[*:1])c1ccc(cc1)NCc1ccc(F)c(Br)c1
CC(C)NC(=O)c1ccc(NCc2ccc(F)c(Br)c2)cc1 CC(C)NC(=O)[*:1] Fc1ccc(cc1Br)CNc1ccc(cc1)[*:1]
CC[C@@H](N[C@@H](C)Cc1cc(C)n[nH]1)c1ccc(Cl)s1 Cc1cc([nH]n1)[*:1] CC[C@@H](N[C@@H](C)C[*:1])c1ccc(Cl)s1
CC[C@@H](N[C@@H](C)Cc1cc(C)n[nH]1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[C@@H](N[C@@H](C)Cc1cc(C)n[nH]1)[*:1]
CC(C)C[C@@H](C[NH3+])c1nc2ccccc2n1CC(F)(F)F FC(F)(F)C[*:1] CC(C)C[C@@H](C[NH3+])c1nc2ccccc2n1[*:1]
CC(C)C[C@@H](C[NH3+])c1nc2ccccc2n1CC(F)(F)F FC(F)(F)[*:1] CC(C)C[C@@H](C[NH3+])c1nc2ccccc2n1C[*:1]
CC(C)C[C@@H](C[NH3+])c1nc2ccccc2n1CC(F)(F)F CC(C)[*:1] [NH3+]C[C@H](C[*:1])c1nc2ccccc2n1CC(F)(F)F
CC(C)C[C@@H](C[NH3+])c1nc2ccccc2n1CC(F)(F)F CC(C)C[*:1] [NH3+]C[C@@H](c1nc2ccccc2n1CC(F)(F)F)[*:1]
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c2ccncc12 O=[N+]([O-])[*:1] O=S(=O)(c1cccs1)N1CCN(CC1)c1ccc(c2cnccc12)[*:1]
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c2ccncc12 c1csc(c1)[*:1] O=[N+]([O-])c1ccc(c2ccncc12)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)CC1(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CCCC1 CC(C)C[*:1] C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC1(CCCC1)[*:1]
CC(C)CC1(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CCCC1 CC(C)[*:1] C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC1(CCCC1)C[*:1]
C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccco1 c1coc(c1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)-n1ccnc1)[*:1]
C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccco1 c1cn(cn1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccco1
Cc1ccc(C(C)C)c(OCC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 CN(C)C(=O)C[*:1] Cc1ccc(c(c1)OCC(=O)NC1CC[NH+](CC1)[*:1])C(C)C
Cc1ccc(C(C)C)c(OCC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)NC1CC[NH+](CC1)CC(=O)N(C)C)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 CN(C)C(=O)[*:1] Cc1ccc(c(c1)OCC(=O)NC1CC[NH+](CC1)C[*:1])C(C)C
O=C1C(c2ccc([N+](=O)[O-])c3ccccc23)=C([O-])c2ccccc21 O=[N+]([O-])[*:1] O=C1C(=C([O-])c2ccccc21)c1ccc(c2ccccc12)[*:1]
COCCN(C(=O)[C@H]1CC[NH2+][C@@H]1C)[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] COCCN(C(=O)[C@H]1CC[NH2+][C@@H]1C)[*:1]
COCCN(C(=O)[C@H]1CC[NH2+][C@@H]1C)[C@@H](C)C1CC1 C1CC1[*:1] COCCN(C(=O)[C@H]1CC[NH2+][C@@H]1C)[C@@H](C)[*:1]
COCCN(C(=O)[C@H]1CC[NH2+][C@@H]1C)[C@@H](C)C1CC1 COC[*:1] C[C@@H](C1CC1)N(C[*:1])C(=O)[C@H]1CC[NH2+][C@@H]1C
COCCN(C(=O)[C@H]1CC[NH2+][C@@H]1C)[C@@H](C)C1CC1 COCC[*:1] C[C@@H](C1CC1)N(C(=O)[C@H]1CC[NH2+][C@@H]1C)[*:1]
COc1ccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1S(=O)(=O)N(C)C O=C1CCCN1C[*:1] COc1ccc(cc1S(=O)(=O)N(C)C)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cccc(c1)CN1CCCC1=O
COc1ccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1S(=O)(=O)N(C)C O=C1CCCN1[*:1] COc1ccc(cc1S(=O)(=O)N(C)C)C(=O)Nc1cccc(c1)C[*:1]
O=C(NCC(=O)N1CCC[C@@H]1c1ccccc1Cl)c1ccsc1 Clc1ccccc1[*:1] O=C(NCC(=O)N1CCC[C@H]1[*:1])c1ccsc1
O=C(NCC(=O)N1CCC[C@@H]1c1ccccc1Cl)c1ccsc1 c1cc(cs1)[*:1] O=C(CNC(=O)[*:1])N1CCC[C@@H]1c1ccccc1Cl
COCCOc1ccc(NC(=O)c2cccc(F)c2)cn1 COC[*:1] O=C(Nc1ccc(nc1)OC[*:1])c1cccc(F)c1
COCCOc1ccc(NC(=O)c2cccc(F)c2)cn1 Fc1cccc(c1)[*:1] COCCOc1ccc(cn1)NC(=O)[*:1]
COCCOc1ccc(NC(=O)c2cccc(F)c2)cn1 COCC[*:1] O=C(Nc1ccc(nc1)O[*:1])c1cccc(F)c1
COCCOc1ccc(NC(=O)c2cccc(F)c2)cn1 COCCO[*:1] O=C(Nc1ccc(nc1)[*:1])c1cccc(F)c1
CC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 CC(=O)NCc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc2OCCCOc2c1
CC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 c1cc2OCCCOc2cc1[*:1] CC(=O)NCc1ccc(cc1)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 CC(=O)NC[*:1] C[C@]1(NC(=O)N(CC(=O)c2ccc(cc2)[*:1])C1=O)c1ccc2OCCCOc2c1
CC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 CC(=O)N[*:1] C[C@]1(NC(=O)N(CC(=O)c2ccc(cc2)C[*:1])C1=O)c1ccc2OCCCOc2c1
Cc1ccccc1Cn1ccc2ccn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c21 Cc1ccccc1[*:1] O=C(Cn1ccc2ccn(C[*:1])c2c1=O)Nc1ccc2OCCOc2c1
Cc1ccccc1Cn1ccc2ccn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c21 c1cc2OCCOc2cc1[*:1] Cc1ccccc1Cn1ccc2ccn(CC(=O)N[*:1])c(=O)c21
Cc1ccccc1Cn1ccc2ccn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c21 Cc1ccccc1C[*:1] O=C(Cn1ccc2ccn(c2c1=O)[*:1])Nc1ccc2OCCOc2c1
Cc1cccc(C(=O)Nc2cnc(N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] Cc1cccc(c1)C(=O)Nc1cnc(c(c1)[*:1])N1CCN(c2cccc(C)c2)[C@H](C)C1
Cc1cccc(C(=O)Nc2cnc(N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C(=O)[O-])c2)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)N1CCN(C[C@H]1C)c1ncc(cc1C(=O)[O-])NC(=O)[*:1]
Cc1cccc(C(=O)Nc2cnc(N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C(=O)[O-])c2)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)C(=O)Nc1cnc(c(c1)C(=O)[O-])N1CCN([C@H](C)C1)[*:1]
Cc1cccc(C(=O)Nc2cnc(N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C(=O)[O-])c2)c1 Cc1cccc(c1)C(=O)N[*:1] Cc1cccc(c1)N1CCN(C[C@H]1C)c1ncc(cc1C(=O)[O-])[*:1]
CCCC(=O)N(C)Cc1cc2ccc(C)cc2[nH]c1=O CCC[*:1] Cc1ccc2cc(CN(C)C(=O)[*:1])c(=O)[nH]c2c1
CC(C)C[C@H](NC(=O)[C@@H]1OCC[C@H]1C)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)C[C@H](NC(=O)[C@@H]1OCC[C@H]1C)C(=O)N[*:1]
CC(C)C[C@H](NC(=O)[C@@H]1OCC[C@H]1C)C(=O)Nc1nccs1 CC(C)[*:1] C[C@@H]1CCO[C@H]1C(=O)N[C@@H](C[*:1])C(=O)Nc1nccs1
CC(C)C[C@H](NC(=O)[C@@H]1OCC[C@H]1C)C(=O)Nc1nccs1 CC(C)C[*:1] C[C@@H]1CCO[C@H]1C(=O)N[C@H](C(=O)Nc1nccs1)[*:1]
COc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1
COc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CCCCN1S(=O)(=O)[*:1]
CC[NH+](CC)CCN(C(=O)c1cc(C)oc1C)c1nc2ccc(Cl)cc2s1 Cc1cc(c(C)o1)[*:1] CC[NH+](CC)CCN(C(=O)[*:1])c1nc2ccc(Cl)cc2s1
CC(=O)Nc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1F c1csc(c1)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)NC[C@@H]([NH+](C)C)[*:1]
CC(=O)Nc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1F CC(=O)N[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)c(c1)[*:1])c1cccs1
CC(C)(C)c1ccc(Nc2nc3ccc(N)cc3o2)cc1 CC(C)(C)[*:1] Nc1ccc2nc(Nc3ccc(cc3)[*:1])oc2c1
COc1ccc(NC(=O)c2ccc(SCc3nc(C)no3)cc2)c(OC)c1 Cc1noc(n1)[*:1] COc1ccc(NC(=O)c2ccc(cc2)SC[*:1])c(c1)OC
COc1ccc(NC(=O)c2ccc(SCc3nc(C)no3)cc2)c(OC)c1 Cc1noc(CS[*:1])n1 COc1ccc(NC(=O)c2ccc(cc2)[*:1])c(c1)OC
COc1ccc(NC(=O)c2ccc(SCc3nc(C)no3)cc2)c(OC)c1 Cc1noc(C[*:1])n1 COc1ccc(NC(=O)c2ccc(cc2)S[*:1])c(c1)OC
FC(F)(F)c1ccnc(N[C@@H](c2ccccc2)C2CC2)n1 FC(F)(F)[*:1] c1ccc(cc1)[C@H](Nc1nccc(n1)[*:1])C1CC1
FC(F)(F)c1ccnc(N[C@@H](c2ccccc2)C2CC2)n1 C1CC1[*:1] FC(F)(F)c1ccnc(n1)N[C@@H](c1ccccc1)[*:1]
FC(F)(F)c1ccnc(N[C@@H](c2ccccc2)C2CC2)n1 c1ccc(cc1)[*:1] FC(F)(F)c1ccnc(n1)N[C@@H](C1CC1)[*:1]
CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(OC)c3)CC2)N1C(=O)c1ccccc1C Cc1ccccc1[*:1] CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(CC2)C(=O)c2cccc(c2)OC)N1C(=O)[*:1]
CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(OC)c3)CC2)N1C(=O)c1ccccc1C CC[C@@H](C)[*:1] COc1cccc(c1)C(=O)N1CCC2(CC1)OC[C@@H](C(=O)N[*:1])N2C(=O)c1ccccc1C
CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(OC)c3)CC2)N1C(=O)c1ccccc1C COc1cccc(c1)[*:1] CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(CC2)C(=O)[*:1])N1C(=O)c1ccccc1C
C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 CC(C)(C)[*:1] C[C@H]([NH2+][C@H]1CCN(C1)C(=O)O[*:1])C1CC1
C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 C1CC1[*:1] C[C@H]([NH2+][C@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
CC[C@H](NC(=O)C[C@H]1CCCO1)c1nc(C(F)(F)F)cs1 C1CO[C@H](C1)[*:1] CC[C@H](NC(=O)C[*:1])c1nc(cs1)C(F)(F)F
CC[C@H](NC(=O)C[C@H]1CCCO1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@H](NC(=O)C[C@H]1CCCO1)c1nc(cs1)[*:1]
CC[C@H](NC(=O)C[C@H]1CCCO1)c1nc(C(F)(F)F)cs1 C1CO[C@H](C1)C[*:1] CC[C@H](NC(=O)[*:1])c1nc(cs1)C(F)(F)F
CCOc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OCC)C2=O CCO[*:1] CCOc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OCC)C2=O CCOc1ccccc1[*:1] CCOc1ccccc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CCOc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OCC)C2=O CCO[*:1] CCOc1ccccc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1[*:1]
CCOc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OCC)C2=O CCOc1ccccc1[*:1] CCOc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Nc1ccc(cc1C(=O)OCc1nc(no1)[*:1])[N+](=O)[O-]
Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 O=[N+]([O-])[*:1] Nc1ccc(cc1C(=O)OCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
CCc1ccc(C(=O)N2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)s1 CCc1ccc(s1)[*:1] CC(C)C(=O)N1CCN(C(=O)[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CCc1ccc(C(=O)N2CCN(C(=O)C(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)s1 CC(C)[*:1] CCc1ccc(s1)C(=O)N1CCN(C(=O)[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
CCn1c(C)cc(CNCCc2nc(C)cs2)c1C Cc1csc(n1)[*:1] CCn1c(C)cc(CNCC[*:1])c1C
CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cccc(I)c3)C(=O)[C@H]21 Ic1cccc(c1)[*:1] CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(C(=O)[C@H]21)[*:1]
O=S(=O)(c1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 Clc1ccc(cc1)[*:1] O=S(=O)(c1cccc(c1)S(=O)(=O)[*:1])N1CCc2ccccc2C1
O=C(NCC1(Sc2ccccc2)CC1)c1csnn1 c1snnc1[*:1] O=C(NCC1(CC1)Sc1ccccc1)[*:1]
O=C(NCC1(Sc2ccccc2)CC1)c1csnn1 c1ccc(cc1)[*:1] O=C(NCC1(CC1)S[*:1])c1csnn1
Cc1ccc(C[NH2+][C@@](C)(CO)C2CC2)c(C)c1 C1CC1[*:1] Cc1ccc(C[NH2+][C@@](C)(CO)[*:1])c(C)c1
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC(c2nc(-c3ccccn3)no2)C1 FC(F)(F)O[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CC(C1)c1nc(no1)-c1ccccn1
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC(c2nc(-c3ccccn3)no2)C1 FC(F)(F)[*:1] O=S(=O)(c1ccc(cc1)O[*:1])N1CC(C1)c1nc(no1)-c1ccccn1
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC(c2nc(-c3ccccn3)no2)C1 c1ccc(nc1)[*:1] O=S(=O)(c1ccc(cc1)OC(F)(F)F)N1CC(C1)c1nc(no1)[*:1]
COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)N4CCN(c5ccc(F)cc5)CC4)c3)n2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc(n1)-c1ccc(=O)n(c1)CC(=O)N1CCN(CC1)[*:1]
COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)N4CCN(c5ccc(F)cc5)CC4)c3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1cc(ccc1=O)-c1nc(no1)[*:1])N1CCN(CC1)c1ccc(F)cc1
Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(Cc3ccccc3)C(C)C)CC2=O)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)c1nc2ccccc2n1CC(=O)N(C(C)C)[*:1]
Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(Cc3ccccc3)C(C)C)CC2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)c1nc2ccccc2n1CC(=O)N(C[*:1])C(C)C
Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(Cc3ccccc3)C(C)C)CC2=O)cc1C Cc1ccc(cc1C)[*:1] CC(C)N(Cc1ccccc1)C(=O)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(Cc3ccccc3)C(C)C)CC2=O)cc1C CC(C)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)c1nc2ccccc2n1CC(=O)N(Cc1ccccc1)[*:1]
CC(C)[C@H](Cl)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] CC(C)[C@H](Cl)[C@H](C)c1ccc(cc1)[*:1]
CC(C)[C@H](Cl)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 CC(C)[*:1] C[C@H](c1ccc(cc1)S(=O)(=O)N(C)C)[C@@H](Cl)[*:1]
C[C@H]1C[C@@H]1NC(=O)N(C)C[C@@H]1CCOC1 C[C@H]1C[C@H]1[*:1] CN(C[C@@H]1CCOC1)C(=O)N[*:1]
C[C@H]1C[C@@H]1NC(=O)N(C)C[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@H]1C[C@@H]1NC(=O)N(C)C[*:1]
C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cccc(F)c2)C[C@@H](C)O1 Fc1cccc(c1)[*:1] C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[*:1])C[C@@H](C)O1
Cc1ccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccc(Cl)cc4)c3C2=O)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)c2cnc3c(c(C)nn3[*:1])c2C1=O
Cc1ccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccc(Cl)cc4)c3C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1nn(-c2ccc(Cl)cc2)c2ncc3C(=O)N(C(=O)c3c12)[*:1]
Cc1cccc(C(=O)N2CCCC[C@H]2C(N)=O)n1 NC(=O)[*:1] Cc1cccc(n1)C(=O)N1CCCC[C@@H]1[*:1]
COCCNC(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O COCCNC(=O)[*:1] O=C(c1ccccc1)[C@H](n1ccccc1=O)[*:1]
COCCNC(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O COC[*:1] O=C(NC[*:1])[C@H](C(=O)c1ccccc1)n1ccccc1=O
COCCNC(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O O=c1ccccn1[*:1] COCCNC(=O)[C@H](C(=O)c1ccccc1)[*:1]
COCCNC(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O c1ccc(cc1)[*:1] COCCNC(=O)[C@H](C(=O)[*:1])n1ccccc1=O
COCCNC(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O COCC[*:1] O=C(N[*:1])[C@H](C(=O)c1ccccc1)n1ccccc1=O
CN(CCCc1ccccc1)C(=O)c1cccc(CN2CCOCC2)c1 c1ccc(cc1)C[*:1] CN(CC[*:1])C(=O)c1cccc(c1)CN1CCOCC1
CN(CCCc1ccccc1)C(=O)c1cccc(CN2CCOCC2)c1 C1CN(CCO1)[*:1] CN(CCCc1ccccc1)C(=O)c1cccc(c1)C[*:1]
CN(CCCc1ccccc1)C(=O)c1cccc(CN2CCOCC2)c1 c1ccc(cc1)CC[*:1] CN(C[*:1])C(=O)c1cccc(c1)CN1CCOCC1
CN(CCCc1ccccc1)C(=O)c1cccc(CN2CCOCC2)c1 C1CN(CCO1)C[*:1] CN(CCCc1ccccc1)C(=O)c1cccc(c1)[*:1]
CN(CCCc1ccccc1)C(=O)c1cccc(CN2CCOCC2)c1 c1ccc(cc1)[*:1] CN(CCC[*:1])C(=O)c1cccc(c1)CN1CCOCC1
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)sc1C Cc1nc(sc1C)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1cccc(Cl)c1)[*:1])c1ccccc1
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)sc1C Clc1cccc(c1)[*:1] Cc1nc(sc1C)N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@H]1[*:1]
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)sc1C O=C(c1ccccc1)[*:1] Cc1nc(sc1C)N1C(=O)C([O-])=C([C@@H]1c1cccc(Cl)c1)[*:1]
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)sc1C c1ccc(cc1)[*:1] Cc1nc(sc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccc(Cl)c1
C[C@@H]1CN(CCCN2CCOCC2)[C@H](c2ccccc2)CO1 C1CN(CCO1)C[*:1] C[C@@H]1CN(CC[*:1])[C@@H](CO1)c1ccccc1
C[C@@H]1CN(CCCN2CCOCC2)[C@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(CCCN2CCOCC2)[C@H](CO1)[*:1]
C[C@@H]1CN(CCCN2CCOCC2)[C@H](c2ccccc2)CO1 C1CN(CCO1)[*:1] C[C@@H]1CN(CCC[*:1])[C@@H](CO1)c1ccccc1
CCc1cnc(CCNC(=O)C(=O)Nc2ccc(C)cc2)s1 CCc1cnc(s1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)NCC[*:1]
CCc1cnc(CCNC(=O)C(=O)Nc2ccc(C)cc2)s1 Cc1ccc(cc1)[*:1] CCc1cnc(CCNC(=O)C(=O)N[*:1])s1
Cn1cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)c(n1)[*:1]
CCC([NH3+])(CC)C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] CCC([NH3+])(CC)C(=O)N1CCC(CC1)C[*:1]
CCC([NH3+])(CC)C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] CCC([NH3+])(CC)C(=O)N1CCC(CC1)[*:1]
O=[N+]([O-])c1ccc(NCCc2cc(F)cc(F)c2)nc1 O=[N+]([O-])[*:1] Fc1cc(F)cc(c1)CCNc1ccc(cn1)[*:1]
C[C@H]([C@@H]1CCCO1)n1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])[*:1] C[C@H]([C@@H]1CCCO1)n1c(nc2cnccc21)SC[*:1]
C[C@H]([C@@H]1CCCO1)n1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])CS[*:1] C[C@H]([C@@H]1CCCO1)n1c(nc2cnccc21)[*:1]
C[C@H]([C@@H]1CCCO1)n1c(SCC(=O)[O-])nc2cnccc21 C1CO[C@@H](C1)[*:1] C[C@H](n1c(nc2cnccc21)SCC(=O)[O-])[*:1]
C[C@H]([C@@H]1CCCO1)n1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])C[*:1] C[C@H]([C@@H]1CCCO1)n1c(nc2cnccc21)S[*:1]
CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1c[nH]nc1C1CCCCC1 c1ccc(cc1)[*:1] CN(Cc1nnc(o1)[*:1])C(=O)c1c[nH]nc1C1CCCCC1
CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1c[nH]nc1C1CCCCC1 C1CCC(CC1)[*:1] CN(Cc1nnc(o1)-c1ccccc1)C(=O)c1c[nH]nc1[*:1]
CNC(=O)NCC(=O)N1CCC[C@H]1C1CCCCC1 CNC(=O)N[*:1] O=C(C[*:1])N1CCC[C@H]1C1CCCCC1
CNC(=O)NCC(=O)N1CCC[C@H]1C1CCCCC1 CNC(=O)NC[*:1] O=C(N1CCC[C@H]1C1CCCCC1)[*:1]
CNC(=O)NCC(=O)N1CCC[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] CNC(=O)NCC(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(C[NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[NH+](Cc1cc(cc2COCOc21)[N+](=O)[O-])C[*:1]
Cc1ccc(C[NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(C[NH+](C)Cc2cc(cc3COCOc32)[*:1])c(C)c1
O=C(CCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CCC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21)N[*:1]
C[C@](O)(CNC(=O)/C=C/SCc1ccco1)c1ccc(F)cc1 c1coc(c1)[*:1] C[C@](O)(CNC(=O)/C=C/SC[*:1])c1ccc(F)cc1
C[C@](O)(CNC(=O)/C=C/SCc1ccco1)c1ccc(F)cc1 c1coc(c1)CS[*:1] C[C@](O)(CNC(=O)C=C[*:1])c1ccc(F)cc1
C[C@](O)(CNC(=O)/C=C/SCc1ccco1)c1ccc(F)cc1 c1coc(c1)C[*:1] C[C@](O)(CNC(=O)/C=C/S[*:1])c1ccc(F)cc1
C[C@](O)(CNC(=O)/C=C/SCc1ccco1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)/C=C/SCc1ccco1)[*:1]
CC(=O)Nc1cccc2c1CCN([C@H](C)C(=O)c1c[nH]c3ccccc13)C2 CC(=O)N[*:1] C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCc2c(cccc2[*:1])C1
CC(=O)Nc1cccc2c1CCN([C@H](C)C(=O)c1c[nH]c3ccccc13)C2 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)Nc1cccc2CN(CCc21)[C@H](C)C(=O)[*:1]
Cn1cc(CCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cn1 Cn1cc(cn1)[*:1] c1ccc2sc(nc2c1)C1CC[NH+](CCC[*:1])CC1
Cn1cc(CCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cn1 Cn1cc(cn1)C[*:1] c1ccc2sc(nc2c1)C1CC[NH+](CC1)CC[*:1]
Cn1cc(CCC[NH+]2CCC(c3nc4ccccc4s3)CC2)cn1 Cn1cc(cn1)CC[*:1] c1ccc2sc(nc2c1)C1CC[NH+](CC1)C[*:1]
CCC[C@@H](COC)NC(=O)c1cc(C)c(C#CCCO)s1 OCC[*:1] CCC[C@@H](COC)NC(=O)c1cc(C)c(C#C[*:1])s1
CCC[C@@H](COC)NC(=O)c1cc(C)c(C#CCCO)s1 CCC[*:1] COC[C@@H](NC(=O)c1cc(C)c(C#CCCO)s1)[*:1]
CCC[C@@H](COC)NC(=O)c1cc(C)c(C#CCCO)s1 OCCC#C[*:1] CCC[C@@H](COC)NC(=O)c1cc(C)c(s1)[*:1]
CCC[C@@H](COC)NC(=O)c1cc(C)c(C#CCCO)s1 COC[*:1] CCC[C@@H](NC(=O)c1cc(C)c(C#CCCO)s1)[*:1]
CCC[C@@H](COC)NC(=O)c1cc(C)c(C#CCCO)s1 CCC[C@@H](COC)[*:1] Cc1cc(sc1C#CCCO)C(=O)N[*:1]
CCCC(=O)N(C[C@@H]1CCCO1)c1nc2c(C(C)C)cccc2s1 CC(C)[*:1] CCCC(=O)N(C[C@@H]1CCCO1)c1nc2c(cccc2s1)[*:1]
CCCC(=O)N(C[C@@H]1CCCO1)c1nc2c(C(C)C)cccc2s1 CCC[*:1] CC(C)c1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)[*:1]
CCCC(=O)N(C[C@@H]1CCCO1)c1nc2c(C(C)C)cccc2s1 C1CO[C@@H](C1)[*:1] CCCC(=O)N(C[*:1])c1nc2c(cccc2s1)C(C)C
CCCC(=O)N(C[C@@H]1CCCO1)c1nc2c(C(C)C)cccc2s1 C1CO[C@@H](C1)C[*:1] CCCC(=O)N(c1nc2c(cccc2s1)C(C)C)[*:1]
C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(-c2cncnc2)cc1 Fc1cccc(c1)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1ccc(cc1)-c1cncnc1
C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(cc1)[*:1]
O=C(Cc1csc(NC(=O)C2CCCC2)n1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(Cc1csc(n1)NC(=O)C1CCCC1)N[*:1]
O=C(Cc1csc(NC(=O)C2CCCC2)n1)NCC(F)(F)F FC(F)(F)[*:1] O=C(Cc1csc(n1)NC(=O)C1CCCC1)NC[*:1]
O=C(Cc1csc(NC(=O)C2CCCC2)n1)NCC(F)(F)F C1CCC(C1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])NCC(F)(F)F
CC(C)(C)CC(=O)Nc1c(F)cccc1Br CC(C)(C)C[*:1] O=C(Nc1c(F)cccc1Br)[*:1]
CC(C)(C)CC(=O)Nc1c(F)cccc1Br CC(C)(C)[*:1] O=C(C[*:1])Nc1c(F)cccc1Br
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c(C)c1 C1CO[C@@H](C1)C[*:1] Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2[*:1])c(C)c1
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] C[C@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)N[*:1]
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c(C)c1 C1CO[C@@H](C1)[*:1] Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[*:1])c(C)c1
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(n2C[C@@H]2CCCO2)[*:1])c(C)c1
Cc1cc(C[C@@H](C)NC(=O)C2(Oc3cccnc3C)CC[NH2+]CC2)[nH]n1 Cc1cc([nH]n1)[*:1] Cc1ncccc1OC1(CC[NH2+]CC1)C(=O)N[C@H](C)C[*:1]
Cc1cc(C[C@@H](C)NC(=O)C2(Oc3cccnc3C)CC[NH2+]CC2)[nH]n1 Cc1cc(C[*:1])[nH]n1 Cc1ncccc1OC1(CC[NH2+]CC1)C(=O)N[C@H](C)[*:1]
Cc1cc(C[C@@H](C)NC(=O)C2(Oc3cccnc3C)CC[NH2+]CC2)[nH]n1 Cc1ncccc1O[*:1] Cc1cc(C[C@@H](C)NC(=O)C2(CC[NH2+]CC2)[*:1])[nH]n1
Cc1cc(C[C@@H](C)NC(=O)C2(Oc3cccnc3C)CC[NH2+]CC2)[nH]n1 Cc1ncccc1[*:1] Cc1cc(C[C@@H](C)NC(=O)C2(CC[NH2+]CC2)O[*:1])[nH]n1
COC(=O)c1cccc(CNC(=O)Nc2cc(F)ccc2OC)c1 COC(=O)[*:1] COc1ccc(F)cc1NC(=O)NCc1cccc(c1)[*:1]
COc1ccc(CCNC(=O)Nc2ccccc2C#N)cc1OC N#Cc1ccccc1[*:1] COc1ccc(cc1OC)CCNC(=O)N[*:1]
CCn1c(N2CCC[C@H](C(=O)[O-])C2)[nH+]c2cc(C)ccc21 O=C([O-])[*:1] CCn1c([nH+]c2cc(C)ccc21)N1CCC[C@H](C1)[*:1]
Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)CCS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)[C@@H]([C@H](C)[NH3+])N(C)CC[*:1]
Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)CCS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] Cc1ccc(cc1)[C@@H]([C@H](C)[NH3+])N(C)C[*:1]
Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)CCS(C)(=O)=O)cc1 CS(=O)(=O)CC[*:1] Cc1ccc(cc1)[C@@H]([C@H](C)[NH3+])N(C)[*:1]
C[C@](CO)([NH2+]CCc1ccc2c(c1)CCO2)C1CCCCC1 C1CCC(CC1)[*:1] C[C@](CO)([NH2+]CCc1ccc2OCCc2c1)[*:1]
COc1ccc(Cl)cc1C[S@@](=O)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] COc1ccc(Cl)cc1C[S@@](=O)[C@@H](C)C(=O)N[*:1]
CCCCN(CC(N)=O)c1cncc(C(N)=O)n1 CCCC[*:1] NC(=O)CN(c1cncc(n1)C(N)=O)[*:1]
CCCCN(CC(N)=O)c1cncc(C(N)=O)n1 NC(=O)[*:1] CCCCN(C[*:1])c1cncc(n1)C(N)=O
CCCCN(CC(N)=O)c1cncc(C(N)=O)n1 CCC[*:1] NC(=O)CN(C[*:1])c1cncc(n1)C(N)=O
CCCCN(CC(N)=O)c1cncc(C(N)=O)n1 NC(=O)[*:1] CCCCN(CC(N)=O)c1cncc(n1)[*:1]
CCCCN(CC(N)=O)c1cncc(C(N)=O)n1 NC(=O)C[*:1] CCCCN(c1cncc(n1)C(N)=O)[*:1]
COc1ccccc1OC1CCN(c2cccc(C(=O)[O-])[nH+]2)CC1 COc1ccccc1[*:1] O=C([O-])c1cccc([nH+]1)N1CCC(CC1)O[*:1]
O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N(Cc1cccnc1)C[C@H]1CCCO1 c1ncn(n1)[*:1] O=C(Nc1ccc(cc1C(F)(F)F)[*:1])N(Cc1cccnc1)C[C@H]1CCCO1
O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N(Cc1cccnc1)C[C@H]1CCCO1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1[*:1])-n1cncn1)N(Cc1cccnc1)C[C@H]1CCCO1
O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N(Cc1cccnc1)C[C@H]1CCCO1 c1cncc(c1)[*:1] O=C(Nc1ccc(cc1C(F)(F)F)-n1cncn1)N(C[C@H]1CCCO1)C[*:1]
O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N(Cc1cccnc1)C[C@H]1CCCO1 c1cncc(c1)C[*:1] O=C(Nc1ccc(cc1C(F)(F)F)-n1cncn1)N(C[C@H]1CCCO1)[*:1]
C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc([N-]S(C)(=O)=O)cc1 C1CC(CCO1)[*:1] C[C@@H]([NH2+]C[C@@H](O)[*:1])c1ccc(cc1)[N-]S(C)(=O)=O
Cn1ncc2c1CCC[C@@H]2NC(=O)NCCOc1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)NCCO[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)NCCOc1cccc(F)c1 Fc1cccc(c1)O[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)NCC[*:1]
CCSc1cccc(C(=O)Nc2nc(C)c(C(C)=O)s2)c1 CC(=O)[*:1] CCSc1cccc(c1)C(=O)Nc1nc(C)c(s1)[*:1]
CCSc1cccc(C(=O)Nc2nc(C)c(C(C)=O)s2)c1 CCS[*:1] CC(=O)c1sc(nc1C)NC(=O)c1cccc(c1)[*:1]
Cn1c(=O)c2c(nc(SCC(N)=O)n2CCCc2ccccc2)n(C)c1=O c1ccc(cc1)CC[*:1] Cn1c(=O)c2c(nc(SCC(N)=O)n2C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(SCC(N)=O)n2CCCc2ccccc2)n(C)c1=O c1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(SCC(N)=O)n2CC[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(SCC(N)=O)n2CCCc2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(SCC(N)=O)n2CCC[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(SCC(N)=O)n2CCCc2ccccc2)n(C)c1=O NC(=O)[*:1] Cn1c(=O)c2c(nc(SC[*:1])n2CCCc2ccccc2)n(C)c1=O
Cn1c(=O)c2c(nc(SCC(N)=O)n2CCCc2ccccc2)n(C)c1=O NC(=O)CS[*:1] Cn1c(=O)c2c(nc(n2CCCc2ccccc2)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(SCC(N)=O)n2CCCc2ccccc2)n(C)c1=O NC(=O)C[*:1] Cn1c(=O)c2c(nc(S[*:1])n2CCCc2ccccc2)n(C)c1=O
Cn1c(=O)c2c(nc(SCC(N)=O)n2CCCc2ccccc2)n(C)c1=O c1ccc(cc1)CCC[*:1] Cn1c(=O)c2c(nc(SCC(N)=O)n2[*:1])n(C)c1=O
NC(=O)C1CCN(C(=O)CN2CC[NH+](Cc3cccnc3)CC2)CC1 c1cncc(c1)C[*:1] NC(=O)C1CCN(CC1)C(=O)CN1CC[NH+](CC1)[*:1]
NC(=O)C1CCN(C(=O)CN2CC[NH+](Cc3cccnc3)CC2)CC1 NC(=O)[*:1] O=C(CN1CC[NH+](CC1)Cc1cccnc1)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)CN2CC[NH+](Cc3cccnc3)CC2)CC1 c1cncc(c1)[*:1] NC(=O)C1CCN(CC1)C(=O)CN1CC[NH+](CC1)C[*:1]
Fc1ccc2nc(C(F)(F)F)cc(Br)c2c1 FC(F)(F)[*:1] Fc1ccc2nc(cc(Br)c2c1)[*:1]
CSc1nc2nc(-c3cccc(C(F)(F)F)c3)ccn2n1 FC(F)(F)[*:1] CSc1nc2nc(ccn2n1)-c1cccc(c1)[*:1]
CCc1nn(C)cc1NC(=O)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 CCc1nn(C)cc1[*:1] O=C(N[*:1])N1CC[NH+](CC1)[C@@H]1C[C@H]2CC[C@@H]1C2
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1Br CC(C)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1Br)[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1Br CC(C)[C@@H](C)[*:1] O=C(Nc1ccc(Br)cc1Br)C(=O)N[*:1]
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] CCc1ccc(cc1)NC(=O)C(C#N)=C[*:1]
CC(C)CSCC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 CC(C)C[*:1] O=C(CS[*:1])C[C@H]1C[C@H]2CC[C@@H]1C2
CC(C)CSCC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 CC(C)[*:1] O=C(CSC[*:1])C[C@H]1C[C@H]2CC[C@@H]1C2
CC(C)CSCC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 CC(C)CS[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)C[*:1]
Nc1cc(C2CCN(C(=O)C3CCC3)CC2)no1 Nc1cc(no1)[*:1] O=C(C1CCC1)N1CCC(CC1)[*:1]
Nc1cc(C2CCN(C(=O)C3CCC3)CC2)no1 C1CC(C1)[*:1] Nc1cc(no1)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3C)n2N)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1nnc(SCc2cccc(c2C)[*:1])n1N
Cc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3C)n2N)cc1 Cc1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])CSc1nnc(n1N)[*:1]
O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 Clc1ccc(cc1)[*:1] O=C([C@@H]1CCCN(C1)C(=O)[*:1])N1CCN(CC1)Cc1ccc2OCCc2c1
O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 c1cc2OCCc2cc1C[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 c1cc2OCCc2cc1[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)C[*:1]
Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)CSCC(=O)N[*:1])c(Cl)c1
Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccsc1 c1cc(cs1)[*:1] Cc1c(Cl)cccc1NC(=O)CCNC(=O)[*:1]
Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCC2=c3ccccc3=[NH+]C2)o1 Cc1ccc(o1)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)C(=C[*:1])NC(=O)c1ccccc1
Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCC2=c3ccccc3=[NH+]C2)o1 O=C(N[*:1])c1ccccc1 Cc1ccc(C=C(C(=O)NCCC2C[NH+]=c3ccccc3=2)[*:1])o1
Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCC2=c3ccccc3=[NH+]C2)o1 c1ccc(cc1)[*:1] Cc1ccc(/C=C(/NC(=O)[*:1])C(=O)NCCC2C[NH+]=c3ccccc3=2)o1
CNc1ccc(CN2CC[NH+](Cc3noc(C)n3)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])CN1CC[NH+](CC1)Cc1noc(C)n1
CNc1ccc(CN2CC[NH+](Cc3noc(C)n3)CC2)cc1[N+](=O)[O-] Cc1nc(C[*:1])no1 CNc1ccc(cc1[N+](=O)[O-])CN1CC[NH+](CC1)[*:1]
CNc1ccc(CN2CC[NH+](Cc3noc(C)n3)CC2)cc1[N+](=O)[O-] Cc1nc(no1)[*:1] CNc1ccc(cc1[N+](=O)[O-])CN1CC[NH+](CC1)C[*:1]
O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(-c2nc3ccccc3o2)cc1 c1ccc2oc(nc2c1)[*:1] O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(cc1)[*:1]
N#Cc1ccc(CNc2ccccc2Sc2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)CNc1ccccc1S[*:1]
N#Cc1ccc(CNc2ccccc2Sc2ccccc2)cc1 c1ccc(cc1)S[*:1] N#Cc1ccc(cc1)CNc1ccccc1[*:1]
O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)Nc1ccc(Oc2ccccc2)cc1 c1cc2OCCOc2cc1[*:1] O=C(CN1CCN(C1=O)[*:1])Nc1ccc(cc1)Oc1ccccc1
O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(CN1CCN(C1=O)c1ccc2OCCOc2c1)Nc1ccc(cc1)[*:1]
O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)c1ccc2OCCOc2c1)Nc1ccc(cc1)O[*:1]
COc1ccc(C[C@@H](C)CNC(=O)c2cnc3c(C)cccn3c2=O)cc1 COc1ccc(cc1)C[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NC[C@H](C)[*:1]
COc1ccc(C[C@@H](C)CNC(=O)c2cnc3c(C)cccn3c2=O)cc1 COc1ccc(cc1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NC[C@H](C)C[*:1]
CC(=O)Nc1ccc(Cl)cc1NCC(=O)N[C@](C)(C#N)C(C)C CC(=O)N[*:1] CC(C)[C@@](C)(C#N)NC(=O)CNc1cc(Cl)ccc1[*:1]
CC(=O)Nc1ccc(Cl)cc1NCC(=O)N[C@](C)(C#N)C(C)C CC(C)[*:1] CC(=O)Nc1ccc(Cl)cc1NCC(=O)N[C@](C)(C#N)[*:1]
NC(=O)C[C@@H]1CCCCN1C(=O)CCn1ccc2ccccc21 NC(=O)[*:1] O=C(CCn1ccc2ccccc21)N1CCCC[C@H]1C[*:1]
NC(=O)C[C@@H]1CCCCN1C(=O)CCn1ccc2ccccc21 NC(=O)C[*:1] O=C(CCn1ccc2ccccc21)N1CCCC[C@H]1[*:1]
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCCc1cccnc1 c1cncc(c1)CC[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N[*:1]
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCCc1cccnc1 c1cncc(c1)[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCC[*:1]
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCCc1cccnc1 c1cncc(c1)C[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NC[*:1]
O=C(COc1ccc(Cl)cc1)N1CCN(CN2CCCCC2=O)CC1 O=C1CCCCN1[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
O=C(COc1ccc(Cl)cc1)N1CCN(CN2CCCCC2=O)CC1 O=C1CCCCN1C[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)[*:1]
O=C(COc1ccc(Cl)cc1)N1CCN(CN2CCCCC2=O)CC1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)CN1CCCCC1=O
O=C(COc1ccc(Cl)cc1)N1CCN(CN2CCCCC2=O)CC1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)CN1CCCCC1=O
O=C(Cn1cnnn1)Nc1ccc(Cl)cn1 c1nnnn1[*:1] O=C(C[*:1])Nc1ccc(Cl)cn1
Cn1cnc(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 Cn1cnc(n1)[*:1] O=[N+]([O-])c1cc(Br)cc(c1)S(=O)(=O)NC[*:1]
Cn1cnc(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] Cn1cnc(CNS(=O)(=O)c2cc(Br)cc(c2)[*:1])n1
Cn1cnc(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 Cn1cnc(C[*:1])n1 O=[N+]([O-])c1cc(Br)cc(c1)S(=O)(=O)N[*:1]
CO[C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2nc(C)no2)CC1 Cc1noc(n1)[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)N1CCC(CC1)[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc2nc(N3CCCC3)sc2c1 C1CCN(C1)[*:1] Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc2nc(sc2c1)[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc2nc(N3CCCC3)sc2c1 Cc1[nH]c(=O)[nH]c(=O)c1[*:1] O=C(CC[*:1])Nc1ccc2nc(sc2c1)N1CCCC1
COc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CN1C(=O)S/C(=C/c2cccn2[*:1])C1=O
COc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] COc1ccc(cc1)-n1cccc1/C=C1/SC(=O)N(C[*:1])C1=O
COc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-n1cccc1/C=C1/SC(=O)N(CC(=O)N[*:1])C1=O
COc1ccc2ccccc2c1/C=N/c1ccc(O)cc1 Oc1ccc(cc1)[*:1] COc1ccc2ccccc2c1C=N[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)CC1CCN(CC1)C(=O)O[*:1]
COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)-c1nc(cs1)CNC(=O)[C@@H](C)O[*:1]
COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 Cc1ccc(cc1C)O[*:1] COc1ccc(cc1)-c1nc(cs1)CNC(=O)[C@@H](C)[*:1]
COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)O[C@H](C)C(=O)NCc1csc(n1)[*:1]
O=[N+]([O-])c1cnccc1Nc1ccc(Cl)cc1Cl O=[N+]([O-])[*:1] Clc1ccc(Nc2ccncc2[*:1])c(Cl)c1
CC[C@@](C)([C@H]([NH3+])Cc1cc(C)nn1C)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)([C@H]([NH3+])Cc1cc(C)nn1C)[*:1]
Cc1cc(Cl)ccc1S(=O)(=O)Oc1cc(Cl)ccc1C(N)=O NC(=O)[*:1] Cc1cc(Cl)ccc1S(=O)(=O)Oc1cc(Cl)ccc1[*:1]
COCC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@H]1c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)[C@@H]1C[C@H](c2ccc(F)cc2)n2ncnc2N1C(=O)[*:1]
COCC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCC(=O)N1c2ncnn2[C@H](C[C@@H]1[*:1])c1ccc(F)cc1
COCC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@H]1c1ccc(C)cc1 Fc1ccc(cc1)[*:1] COCC(=O)N1c2ncnn2[C@@H](C[C@H]1c1ccc(C)cc1)[*:1]
CC(C)Sc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC(C)(C)OC3 CC(C)[*:1] CC1(C)Cc2c(CO1)sc1c2-c2ncnn2-c2nnc(S[*:1])n2-1
CC(C)Sc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC(C)(C)OC3 CC(C)S[*:1] CC1(C)Cc2c(CO1)sc1c2-c2ncnn2-c2nnc(n2-1)[*:1]
CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl CC[C@H](CO)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(Cl)cc1Cl
CCCc1ccccc1N1C(=O)[C@H]2CCCN2C(=O)[C@H]1C CCC[*:1] C[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1c1ccccc1[*:1]
O=C(NC[C@@H]1CCCO1)[C@H]1SC(=S)n2c1nc(=O)c1ccccc12 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])[C@H]1SC(=S)n2c1nc(=O)c1ccccc12
O=C(NC[C@@H]1CCCO1)[C@H]1SC(=S)n2c1nc(=O)c1ccccc12 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])[C@H]1SC(=S)n2c1nc(=O)c1ccccc12
Cc1ccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NCCCC[NH+]1CCC(C)CC1
CCc1nnc(NC(=O)NCC(=O)Nc2ccccc2)s1 CCc1nnc(s1)[*:1] O=C(CNC(=O)N[*:1])Nc1ccccc1
CCc1nnc(NC(=O)NCC(=O)Nc2ccccc2)s1 c1ccc(cc1)[*:1] CCc1nnc(NC(=O)NCC(=O)N[*:1])s1
C[C@H]1C[C@H](C)CN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 O=C(N[*:1])C1CC1 C[C@H]1C[C@H](C)CN(C1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1C[C@H](C)CN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1 C1CC1[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
C[C@]1(CO)CCC[C@@H]1NC(=O)NCCN1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] C[C@]1(CO)CCC[C@@H]1NC(=O)NCCN1CCN(CC1)[*:1]
Cc1c(NCc2cnc3ccc(C#N)cn23)cccc1OC1CCCC1 C1CCC(C1)[*:1] Cc1c(cccc1O[*:1])NCc1cnc2ccc(C#N)cn12
Cc1c(NCc2cnc3ccc(C#N)cn23)cccc1OC1CCCC1 C1CCC(C1)O[*:1] Cc1c(cccc1[*:1])NCc1cnc2ccc(C#N)cn12
OCCc1cn(Cc2ccc(Br)cc2)nc1C(F)(F)F FC(F)(F)[*:1] OCCc1cn(Cc2ccc(Br)cc2)nc1[*:1]
OCCc1cn(Cc2ccc(Br)cc2)nc1C(F)(F)F OCC[*:1] FC(F)(F)c1nn(cc1[*:1])Cc1ccc(Br)cc1
CCOCCC(=O)N1CCC(OCc2ccc(F)cc2)CC1 CCO[*:1] O=C(CC[*:1])N1CCC(CC1)OCc1ccc(F)cc1
CCOCCC(=O)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCOCCC(=O)N1CCC(CC1)OC[*:1]
CCOCCC(=O)N1CCC(OCc2ccc(F)cc2)CC1 CCOCC[*:1] O=C(N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
CCOCCC(=O)N1CCC(OCc2ccc(F)cc2)CC1 CCOC[*:1] O=C(C[*:1])N1CCC(CC1)OCc1ccc(F)cc1
C[NH2+]Cc1csc(-c2cscc2C)n1 C[NH2+]C[*:1] Cc1cscc1-c1nc(cs1)[*:1]
COCC[C@H]([NH3+])C(=O)Nc1cccc(C)c1O COCC[*:1] Cc1cccc(NC(=O)[C@@H]([NH3+])[*:1])c1O
COCC[C@H]([NH3+])C(=O)Nc1cccc(C)c1O COC[*:1] Cc1cccc(NC(=O)[C@@H]([NH3+])C[*:1])c1O
CCC(=O)[C@@H](C)NC(=O)C[C@@H]1CCCCO1 CCC(=O)[*:1] C[C@@H](NC(=O)C[C@@H]1CCCCO1)[*:1]
c1ccc2c(c1)SCC[C@H]2[NH2+]C[C@H]1CN(C2CC2)CCO1 C1CC1[*:1] c1ccc2c(c1)SCC[C@H]2[NH2+]C[C@H]1CN(CCO1)[*:1]
COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)c(OC)c1 COc1ccc(c(c1)OC)[*:1] COc1ccccc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1[*:1]
COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2OC)c(OC)c1 COc1ccccc1[*:1] COc1ccc(c(c1)OC)[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1 C1CC1[*:1] O=C(Nc1cnc(s1)-c1ccccc1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])C(=O)N[C@@H](c1ccc(F)cc1)C1CC1
O=C(Nc1cnc(-c2ccccc2)s1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)C(=O)N[C@@H](C1CC1)[*:1]
COc1cccc(O[C@@H](C)CNC(=O)N[C@@H]2CCCC[C@@H]2OC)c1 COc1cccc(c1)[*:1] CO[C@H]1CCCC[C@H]1NC(=O)NC[C@H](C)O[*:1]
CC(=O)N(c1nc(CNc2ccccc2-n2ccc(C)n2)cs1)C1CC1 CC(=O)N(C1CC1)[*:1] Cc1ccn(n1)-c1ccccc1NCc1csc(n1)[*:1]
CC(=O)N(c1nc(CNc2ccccc2-n2ccc(C)n2)cs1)C1CC1 Cc1ccn(n1)[*:1] CC(=O)N(c1nc(cs1)CNc1ccccc1[*:1])C1CC1
CC(=O)N(c1nc(CNc2ccccc2-n2ccc(C)n2)cs1)C1CC1 C1CC1[*:1] CC(=O)N(c1nc(cs1)CNc1ccccc1-n1ccc(C)n1)[*:1]
CCN(C1CCC([NH3+])CC1)S(=O)(=O)CCOC(C)C CC(C)[*:1] CCN(C1CCC([NH3+])CC1)S(=O)(=O)CCO[*:1]
CCN(C1CCC([NH3+])CC1)S(=O)(=O)CCOC(C)C CC(C)OCC[*:1] CCN(C1CCC([NH3+])CC1)S(=O)(=O)[*:1]
CCN(C1CCC([NH3+])CC1)S(=O)(=O)CCOC(C)C CC(C)O[*:1] CCN(C1CCC([NH3+])CC1)S(=O)(=O)CC[*:1]
CCN(C1CCC([NH3+])CC1)S(=O)(=O)CCOC(C)C CC(C)OC[*:1] CCN(C1CCC([NH3+])CC1)S(=O)(=O)C[*:1]
O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 FC(F)(F)[*:1] O=C(Nc1cccc(O)c1)c1cc2N[C@H](C[C@@H](n2n1)[*:1])c1ccc(F)cc1
O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 O=C(Nc1cccc(O)c1)[*:1] Fc1ccc(cc1)[C@H]1C[C@H](n2nc(cc2N1)[*:1])C(F)(F)F
O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 Oc1cccc(c1)[*:1] O=C(N[*:1])c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)c1ccc(F)cc1
O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(O)c1)c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)F)[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N(C)C)s2)o1 CN(C)C(=O)[*:1] Cc1ccc(o1)-c1nc(C)c(s1)[*:1]
O=C(NC[C@H]1CCCO1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])c1ccn(n1)-c1cccc(c1)C(F)(F)F
O=C(NC[C@H]1CCCO1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 C1CO[C@H](C1)C[*:1] O=C(N[*:1])c1ccn(n1)-c1cccc(c1)C(F)(F)F
O=C(NC[C@H]1CCCO1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] O=C(NC[C@H]1CCCO1)c1ccn(n1)-c1cccc(c1)[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2OCCO2)C1 C1COC(O1)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])N1CCC[C@@H](C1)[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2OCCO2)C1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])N1CCC[C@H](C1)C1OCCO1
Cc1c(-n2nnnc2Sc2ccc(C#N)cn2)c(=O)n(-c2ccccc2)n1C N#Cc1ccc(nc1)S[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)-n1nnnc1[*:1]
Cc1c(-n2nnnc2Sc2ccc(C#N)cn2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(c(=O)n(n1C)[*:1])-n1nnnc1Sc1ccc(C#N)cn1
Cc1c(-n2nnnc2Sc2ccc(C#N)cn2)c(=O)n(-c2ccccc2)n1C N#Cc1ccc(nc1)[*:1] Cc1c(c(=O)n(-c2ccccc2)n1C)-n1nnnc1S[*:1]
Cc1nc(NC(=O)Cc2coc3ccc(F)cc23)sc1C(=O)OCC(C)C CC(C)C[*:1] Cc1nc(NC(=O)Cc2coc3ccc(F)cc23)sc1C(=O)O[*:1]
Cc1nc(NC(=O)Cc2coc3ccc(F)cc23)sc1C(=O)OCC(C)C CC(C)COC(=O)[*:1] Cc1nc(NC(=O)Cc2coc3ccc(F)cc23)sc1[*:1]
Cc1nc(NC(=O)Cc2coc3ccc(F)cc23)sc1C(=O)OCC(C)C CC(C)[*:1] Cc1nc(NC(=O)Cc2coc3ccc(F)cc23)sc1C(=O)OC[*:1]
O=C1[C@@H]([NH2+]C2CCCCC2)CCCN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCCN1C[*:1])[NH2+]C1CCCCC1
O=C1[C@@H]([NH2+]C2CCCCC2)CCCN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@H](CCCN1[*:1])[NH2+]C1CCCCC1
O=C1[C@@H]([NH2+]C2CCCCC2)CCCN1Cc1ccccc1 C1CCC(CC1)[*:1] O=C1[C@H](CCCN1Cc1ccccc1)[NH2+][*:1]
Cc1ccc(Cl)cc1NC(=O)[C@H](C)S(=O)(=O)c1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] Cc1ccc(Cl)cc1NC(=O)[C@H](C)S(=O)(=O)[*:1]
COC[C@@H](Cl)CNCc1cccnc1OC COC[*:1] COc1ncccc1CNC[C@H](Cl)[*:1]
COC[C@@H](Cl)CNCc1cccnc1OC COC[C@@H](Cl)[*:1] COc1ncccc1CNC[*:1]
CCCN(CC)[C@H](C[NH3+])c1c(Cl)cccc1Cl CCC[*:1] CCN([C@H](C[NH3+])c1c(Cl)cccc1Cl)[*:1]
O=C([O-])CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 O=C([O-])C[*:1] O=C(C[*:1])N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1
O=C([O-])CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 O=C([O-])CC[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)[*:1])CN1Cc1ccncc1
O=C([O-])CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 O=C([O-])[*:1] O=C(CC[*:1])N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1
O=C([O-])CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 c1cc(ccn1)C[*:1] O=C([O-])CCC(=O)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
O=C([O-])CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 c1cc(ccn1)[*:1] O=C([O-])CCC(=O)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
C[NH+](C)CC[C@H](Nc1cc(-n2ccnc2)ncn1)C(C)(C)C CC(C)(C)[*:1] C[NH+](C)CC[C@H](Nc1cc(ncn1)-n1ccnc1)[*:1]
C[NH+](C)CC[C@H](Nc1cc(-n2ccnc2)ncn1)C(C)(C)C c1cn(cn1)[*:1] C[NH+](C)CC[C@H](Nc1cc(ncn1)[*:1])C(C)(C)C
CC[C@H](CCO)CNC(=O)c1cc(N)c(C)c(F)c1 OCC[*:1] CC[C@H](CNC(=O)c1cc(N)c(C)c(F)c1)[*:1]
CC[C@H](CCO)CNC(=O)c1cc(N)c(C)c(F)c1 CC[C@H](CCO)[*:1] Cc1c(N)cc(cc1F)C(=O)NC[*:1]
O=C(NCc1ccccn1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 c1ccc(C[*:1])nc1 O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)N[*:1]
O=C(NCc1ccccn1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 c1ccc(nc1)[*:1] O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)NC[*:1]
O=C(NCc1ccccn1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 c1csc(c1)[*:1] O=C(NCc1ccccn1)C(=O)NC[C@H](N1CCc2ccccc21)[*:1]
O=C(NCc1ccccn1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] O=C(NCc1ccccn1)C(=O)NC[C@H](c1cccs1)[*:1]
CCN(C(=O)c1cc(C(C)C)no1)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(C(=O)c1cc(no1)C(C)C)[C@@H](C)C[*:1]
CCN(C(=O)c1cc(C(C)C)no1)[C@@H](C)CS(C)(=O)=O CC(C)[*:1] CCN(C(=O)c1cc(no1)[*:1])[C@@H](C)CS(C)(=O)=O
CCN(C(=O)c1cc(C(C)C)no1)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(C(=O)c1cc(no1)C(C)C)[C@@H](C)[*:1]
Cc1ccccc1C(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 Cc1ccccc1[*:1] O=C(Nc1ccccc1)O[C@H]1CCC[C@H](C1)NC(=O)[*:1]
Cc1ccccc1C(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C1)OC(=O)N[*:1]
Cc1cnc(C(C)(C)NC(=O)Nc2ccc(CC#N)cc2)s1 N#CC[*:1] Cc1cnc(s1)C(C)(C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1cnc(C(C)(C)NC(=O)Nc2ccc(CC#N)cc2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)Nc1ccc(cc1)CC#N)[*:1]
N#C[C@@H]1CNCCN1C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] N#C[C@@H]1CNCCN1C(=O)Nc1ccccc1[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1NC(=O)N[C@H]1C[C@@H](C)N(C1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)N[C@H]1C[C@@H](C)N(C1)c1ccccc1)[*:1]
O=C(CSc1nc2ccccc2o1)Nc1ccccc1C(=O)[O-] O=C([O-])[*:1] O=C(CSc1nc2ccccc2o1)Nc1ccccc1[*:1]
CCSc1ccc(Cl)cc1C(=O)Nc1cccc(-n2cnnn2)c1 CCS[*:1] O=C(Nc1cccc(c1)-n1cnnn1)c1cc(Cl)ccc1[*:1]
CCSc1ccc(Cl)cc1C(=O)Nc1cccc(-n2cnnn2)c1 c1nnnn1[*:1] CCSc1ccc(Cl)cc1C(=O)Nc1cccc(c1)[*:1]
CC(C)C[NH+]1CCN(c2nc(Cl)ncc2Br)CC1 CC(C)C[*:1] Clc1ncc(Br)c(n1)N1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCN(c2nc(Cl)ncc2Br)CC1 CC(C)[*:1] Clc1ncc(Br)c(n1)N1CC[NH+](CC1)C[*:1]
CS[C@@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C1 Cc1ccc(C[*:1])o1 CS[C@@H]1CC[C@H](C1)NC(=O)N(CC[NH+](C)C)[*:1]
CS[C@@H]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C1 Cc1ccc(o1)[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)N(CC[NH+](C)C)C[*:1]
O=C(Nc1cccc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1)c1cc(=O)[nH]c2ccccc12 O=c1cc(c2ccccc2[nH]1)[*:1] O=C(c1cccc(c1)NC(=O)[*:1])N1CCN(CC1)C[C@H]1CCCO1
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)NC[*:1]
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCC(=O)N1CCCCC1 C[S@@](=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)NCC(=O)N1CCCCC1
C=C(C)[C@@H](O)c1cc(F)c(F)c(F)c1 C=C(C)[*:1] O[C@@H](c1cc(F)c(F)c(F)c1)[*:1]
COc1ccc(NC(=O)NNC(=O)c2ccccc2I)cc1OC Ic1ccccc1[*:1] COc1ccc(cc1OC)NC(=O)NNC(=O)[*:1]
CC(C)CNC(=O)c1cccc(C#CCCCCO)c1 CC(C)[*:1] O=C(NC[*:1])c1cccc(C#CCCCCO)c1
CC(C)CNC(=O)c1cccc(C#CCCCCO)c1 OCC[*:1] CC(C)CNC(=O)c1cccc(C#CCC[*:1])c1
CC(C)CNC(=O)c1cccc(C#CCCCCO)c1 OCCC[*:1] CC(C)CNC(=O)c1cccc(C#CC[*:1])c1
CC(C)CNC(=O)c1cccc(C#CCCCCO)c1 OCCCC[*:1] CC(C)CNC(=O)c1cccc(C#C[*:1])c1
CC(C)CNC(=O)c1cccc(C#CCCCCO)c1 CC(C)C[*:1] O=C(N[*:1])c1cccc(C#CCCCCO)c1
C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cncc(F)c1 c1ccc(cc1)[*:1] C[C@H](N[C@@H](C[*:1])C(=O)N1CCCCC1)c1cncc(F)c1
C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cncc(F)c1 c1ccc(cc1)C[*:1] C[C@H](N[C@@H](C(=O)N1CCCCC1)[*:1])c1cncc(F)c1
C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cncc(F)c1 O=C(N1CCCCC1)[*:1] C[C@H](N[C@@H](Cc1ccccc1)[*:1])c1cncc(F)c1
C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cncc(F)c1 Fc1cncc(c1)[*:1] C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)[*:1]
Clc1cccc(-c2nnn(Cc3ccc(-n4cccn4)cc3)n2)c1 Clc1cccc(c1)[*:1] c1cnn(c1)-c1ccc(cc1)Cn1nnc(n1)[*:1]
Clc1cccc(-c2nnn(Cc3ccc(-n4cccn4)cc3)n2)c1 c1cnn(c1)[*:1] Clc1cccc(c1)-c1nnn(Cc2ccc(cc2)[*:1])n1
N#Cc1c(NC(=O)CN2CCOC[C@H]2C2CC2)sc2c1CCCCC2 C1CC1[*:1] N#Cc1c(NC(=O)CN2CCOC[C@@H]2[*:1])sc2CCCCCc21
C(=C/c1nc(-c2cccc(-c3csc(C4CC4)n3)c2)no1)\c1ccco1 c1coc(c1)[*:1] C(=C[*:1])c1nc(no1)-c1cccc(c1)-c1csc(n1)C1CC1
C(=C/c1nc(-c2cccc(-c3csc(C4CC4)n3)c2)no1)\c1ccco1 C1CC1[*:1] C(=C/c1nc(no1)-c1cccc(c1)-c1csc(n1)[*:1])\c1ccco1
C(=C/c1nc(-c2cccc(-c3csc(C4CC4)n3)c2)no1)\c1ccco1 C(=C[*:1])c1ccco1 c1cc(cc(c1)-c1noc(n1)[*:1])-c1csc(n1)C1CC1
C(=C/c1nc(-c2cccc(-c3csc(C4CC4)n3)c2)no1)\c1ccco1 c1sc(nc1[*:1])C1CC1 C(=C/c1nc(no1)-c1cccc(c1)[*:1])\c1ccco1
O=C(Nc1ccc(Cl)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(Nc1ccc(Cl)cc1)[C@H]1CCCCN1S(=O)(=O)[*:1]
O=C(Nc1ccc(Cl)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1
Cc1ccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CNC(=O)CSc1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1ccc(cc1)[N+](=O)[O-])NC[*:1]
COC(=O)c1sccc1-c1ccc([C@@H]2C3=C(CCCC3=O)N=C(C)/C2=C(/[O-])OC)o1 COC(=O)c1sccc1[*:1] CO/C([O-])=C1\C(C)=NC2CCCC(=O)C=2[C@H]1c1ccc(o1)[*:1]
COC(=O)c1sccc1-c1ccc([C@@H]2C3=C(CCCC3=O)N=C(C)/C2=C(/[O-])OC)o1 COC(=O)[*:1] CO/C([O-])=C1\C(C)=NC2CCCC(=O)C=2[C@H]1c1ccc(o1)-c1ccsc1[*:1]
COCCS[C@H]1CCC[C@]([NH2+]C2CC2)(C(N)=O)C1 COCCS[*:1] NC(=O)[C@]1(CCC[C@@H](C1)[*:1])[NH2+]C1CC1
COCCS[C@H]1CCC[C@]([NH2+]C2CC2)(C(N)=O)C1 NC(=O)[*:1] COCCS[C@H]1CCC[C@@](C1)([NH2+]C1CC1)[*:1]
COCCS[C@H]1CCC[C@]([NH2+]C2CC2)(C(N)=O)C1 COCC[*:1] NC(=O)[C@]1(CCC[C@@H](C1)S[*:1])[NH2+]C1CC1
COCCS[C@H]1CCC[C@]([NH2+]C2CC2)(C(N)=O)C1 COC[*:1] NC(=O)[C@]1(CCC[C@@H](C1)SC[*:1])[NH2+]C1CC1
COCCS[C@H]1CCC[C@]([NH2+]C2CC2)(C(N)=O)C1 C1CC1[*:1] COCCS[C@H]1CCC[C@](C1)([NH2+][*:1])C(N)=O
CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cccc(C)c1C)c(=O)n2C CCOC(=O)[*:1] Cc1cc(c2c(=O)n(CC(=O)Nc3cccc(C)c3C)c(=O)n(C)c2n1)[*:1]
CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cccc(C)c1C)c(=O)n2C Cc1cccc(c1C)[*:1] CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)N[*:1])c(=O)n2C
CCCc1cc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)n(C)n1 CCC[*:1] Cc1ccc(o1)[C@H](CNC(=O)c1cc(nn1C)[*:1])N1CCOCC1
CCCc1cc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)n(C)n1 Cc1ccc(o1)[*:1] CCCc1cc(C(=O)NC[C@@H](N2CCOCC2)[*:1])n(C)n1
CCCc1cc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)n(C)n1 C1CN(CCO1)[*:1] CCCc1cc(C(=O)NC[C@@H](c2ccc(C)o2)[*:1])n(C)n1
O=C(CCc1c[nH]c2ccccc12)N[C@@H](CO)C(=O)[O-] O=C([O-])[*:1] O=C(CCc1c[nH]c2ccccc12)N[C@@H](CO)[*:1]
CCCn1cc(N)cc1C(=O)OCc1cccc(C)n1 CCC[*:1] Cc1cccc(COC(=O)c2cc(N)cn2[*:1])n1
CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(Br)s2)cc1 CC(=O)N[*:1] CN(Cc1ccc(Br)s1)C(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(Br)s2)cc1 Brc1ccc(s1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N(C)C[*:1]
CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(Br)s2)cc1 Brc1ccc(C[*:1])s1 CC(=O)Nc1ccc(cc1)C(=O)N(C)[*:1]
O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(F)c(Br)c1)N[*:1]
O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)Nc1ccc(F)cc1 Fc1ccc(cc1Br)[*:1] O=C(Cn1cccc1-c1nc(no1)[*:1])Nc1ccc(F)cc1
O=C(NC[C@H](O)c1cccs1)c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NC[C@H](O)c1cccs1)c1cc(Cl)ccc1[*:1]
O=C(NC[C@H](O)c1cccs1)c1cc(Cl)ccc1[N+](=O)[O-] c1csc(c1)[*:1] O=C(NC[C@H](O)[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
O=C(NC[C@H](O)c1cccs1)c1cc(Cl)ccc1[N+](=O)[O-] O[C@H](c1cccs1)[*:1] O=C(NC[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
CC#CC[C@@]1(C(C)(C)C)CCC[NH2+]1 CC#CC[*:1] CC(C)(C)[C@]1(CCC[NH2+]1)[*:1]
CC#CC[C@@]1(C(C)(C)C)CCC[NH2+]1 CC#C[*:1] CC(C)(C)[C@@]1(CCC[NH2+]1)C[*:1]
CC#CC[C@@]1(C(C)(C)C)CCC[NH2+]1 CC(C)(C)[*:1] CC#CC[C@]1(CCC[NH2+]1)[*:1]
O=C(CCn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCCc2ccccc21 O=[N+]([O-])[*:1] O=C(CCn1cc(ccc1=O)[*:1])N[C@@H]1CCCc2ccccc21
C[NH+](Cc1nccc(N)n1)C1(C(N)=O)CCCC1 NC(=O)[*:1] C[NH+](Cc1nccc(N)n1)C1(CCCC1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1C c1csc(c1)[*:1] CC(=O)Nc1ccc(cc1C)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1C CC(=O)N[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@H]1CCCN(C1)C(=O)c1cccs1
CC(=O)Nc1ccc(C#CC2(NC(=O)c3cccnc3)CCCCC2)cn1 CC(=O)N[*:1] O=C(NC1(C#Cc2ccc(nc2)[*:1])CCCCC1)c1cccnc1
CC(=O)Nc1ccc(C#CC2(NC(=O)c3cccnc3)CCCCC2)cn1 c1cncc(c1)[*:1] CC(=O)Nc1ccc(C#CC2(CCCCC2)NC(=O)[*:1])cn1
CC(=O)Nc1ccc(C#CC2(NC(=O)c3cccnc3)CCCCC2)cn1 O=C(N[*:1])c1cccnc1 CC(=O)Nc1ccc(C#CC2(CCCCC2)[*:1])cn1
C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc(C)ccc21 C#CC[*:1] Cc1ccc2c(c1)s/c(=N/C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)n2[*:1]
C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc(C)ccc21 c1csc(c1)[*:1] C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(=O)(=O)[*:1])sc2cc(C)ccc21
CCOC(=O)C[C@H](C)CNC(=O)c1cc2ccc(Cl)cc2[nH]1 CCOC(=O)C[*:1] C[C@H](CNC(=O)c1cc2ccc(Cl)cc2[nH]1)[*:1]
CCOC(=O)C[C@H](C)CNC(=O)c1cc2ccc(Cl)cc2[nH]1 CCOC(=O)[*:1] C[C@H](CNC(=O)c1cc2ccc(Cl)cc2[nH]1)C[*:1]
Cc1nc(-c2cccc(NC(=O)CNc3ccccc3C(=O)N3CCC[C@@H](O)C3)c2)cs1 Cc1nc(cs1)[*:1] O=C(CNc1ccccc1C(=O)N1CCC[C@@H](O)C1)Nc1cccc(c1)[*:1]
C[C@H](c1ccccc1)[S@@](=O)Cc1cccc(C(=O)N(C)C)c1 c1ccc(cc1)[*:1] C[C@H]([S@@](=O)Cc1cccc(c1)C(=O)N(C)C)[*:1]
C[C@H](c1ccccc1)[S@@](=O)Cc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@H](c1ccccc1)[S@@](=O)Cc1cccc(c1)[*:1]
CCOc1ccc(Nc2nc(C(=O)Nc3ccc(SC)cc3)cs2)cc1 CCO[*:1] CSc1ccc(cc1)NC(=O)c1csc(n1)Nc1ccc(cc1)[*:1]
CCOc1ccc(Nc2nc(C(=O)Nc3ccc(SC)cc3)cs2)cc1 CSc1ccc(cc1)[*:1] CCOc1ccc(cc1)Nc1nc(cs1)C(=O)N[*:1]
CCC[NH+]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 c1ccc(cc1)[*:1] CCC[NH+]1CCc2c(C1)sc1[nH]c(=S)n(c(=O)c21)[*:1]
CCC[NH+]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 CCC[*:1] O=c1c2c3CC[NH+](Cc3sc2[nH]c(=S)n1-c1ccccc1)[*:1]
CCc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCC(=O)N4CCCC4)nc32)cc1 O=C(C[*:1])N1CCCC1 CCc1ccc(cc1)-n1c(=S)sc2c(=O)[nH]c(nc21)S[*:1]
CCc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCC(=O)N4CCCC4)nc32)cc1 CCc1ccc(cc1)[*:1] O=C(CSc1nc2c(sc(=S)n2[*:1])c(=O)[nH]1)N1CCCC1
CCc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCC(=O)N4CCCC4)nc32)cc1 O=C(CS[*:1])N1CCCC1 CCc1ccc(cc1)-n1c(=S)sc2c(=O)[nH]c(nc21)[*:1]
CCc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCC(=O)N4CCCC4)nc32)cc1 O=C(N1CCCC1)[*:1] CCc1ccc(cc1)-n1c(=S)sc2c(=O)[nH]c(nc21)SC[*:1]
CCC[NH2+]C[C@H](C)Cc1c(C)nn(C)c1C CCC[*:1] Cc1nn(C)c(C)c1C[C@@H](C)C[NH2+][*:1]
O=C(NCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1cc(no1)-c1ccc(Cl)cc1)[*:1]
O=C(NCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1cc(no1)[*:1])c1ccc(F)cc1
Nc1cc(C(=O)[O-])c(Cl)cc1Cl O=C([O-])[*:1] Nc1cc(c(Cl)cc1Cl)[*:1]
Cc1ccccc1[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)C(C)C CC(C)[*:1] Cc1ccccc1[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
Cc1ccccc1[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
COC[C@@H](C)C(=O)N1CC[C@@H](C(N)=O)c2ccccc21 COC[C@@H](C)[*:1] NC(=O)[C@@H]1CCN(C(=O)[*:1])c2ccccc21
COC[C@@H](C)C(=O)N1CC[C@@H](C(N)=O)c2ccccc21 COC[*:1] C[C@@H](C(=O)N1CC[C@@H](C(N)=O)c2ccccc21)[*:1]
COC[C@@H](C)C(=O)N1CC[C@@H](C(N)=O)c2ccccc21 NC(=O)[*:1] COC[C@@H](C)C(=O)N1CC[C@@H](c2ccccc21)[*:1]
CCC[NH+]1CCN(C(=O)Nc2cncc3ccccc23)CC1 CCC[*:1] O=C(Nc1cncc2ccccc12)N1CC[NH+](CC1)[*:1]
Cc1ccc([C@@H](C)NC(=O)NC[C@H](O)c2ccco2)cc1F c1coc(c1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)NC[C@H](O)[*:1]
Cc1ccc([C@@H](C)NC(=O)NC[C@H](O)c2ccco2)cc1F O[C@H](c1ccco1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)NC[*:1]
N#C[C@@H](c1ccc(Cl)cc1)c1ccc([C@H](O)c2ccccc2)cc1 O[C@H](c1ccccc1)[*:1] N#C[C@@H](c1ccc(Cl)cc1)c1ccc(cc1)[*:1]
N#C[C@@H](c1ccc(Cl)cc1)c1ccc([C@H](O)c2ccccc2)cc1 Clc1ccc(cc1)[*:1] N#C[C@@H](c1ccc(cc1)[C@H](O)c1ccccc1)[*:1]
N#C[C@@H](c1ccc(Cl)cc1)c1ccc([C@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#C[C@@H](c1ccc(Cl)cc1)c1ccc(cc1)[C@H](O)[*:1]
CCC[C@H](O)c1ccn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CCC[C@H](O)c1ccn(c1)C[*:1]
CCC[C@H](O)c1ccn(C[C@@H]2CCCO2)c1 CCC[C@H](O)[*:1] c1cn(cc1[*:1])C[C@@H]1CCCO1
CCC[C@H](O)c1ccn(C[C@@H]2CCCO2)c1 CCC[*:1] O[C@H](c1ccn(c1)C[C@@H]1CCCO1)[*:1]
CCOC(=O)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 O=C([O-])[*:1] CCOC(=O)c1ccc(cc1)-c1ccc(o1)[*:1]
CCOC(=O)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 CCOC(=O)[*:1] O=C([O-])c1ccc(o1)-c1ccc(cc1)[*:1]
CC[C@@](C)([C@H](NC)c1ccccc1)[NH+]1CCCCC1 c1ccc(cc1)[*:1] CC[C@@](C)([C@H](NC)[*:1])[NH+]1CCCCC1
O[C@@H]1CN(c2ncnc3ccsc23)CC[C@H]1N1CCOCC1 C1CN(CCO1)[*:1] O[C@@H]1CN(CC[C@@H]1[*:1])c1ncnc2ccsc12
CN(CCC#N)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 FC(F)(F)[*:1] CN(CCC#N)C(=O)c1cc2N[C@@H](C[C@H](n2n1)[*:1])c1ccc(Cl)cc1
CN(CCC#N)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 N#CCC[*:1] CN(C(=O)c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)c1ccc(Cl)cc1)[*:1]
CN(CCC#N)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 N#CC[*:1] CN(C[*:1])C(=O)c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)c1ccc(Cl)cc1
CN(CCC#N)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 CN(CCC#N)C(=O)[*:1] FC(F)(F)[C@H]1C[C@H](Nc2cc(nn21)[*:1])c1ccc(Cl)cc1
CN(CCC#N)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 Clc1ccc(cc1)[*:1] CN(CCC#N)C(=O)c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
NC(=O)C1(NC(=O)CCNC(=O)c2ccc3ccccc3c2)CCCCC1 NC(=O)C1(CCCCC1)[*:1] O=C(CCNC(=O)c1ccc2ccccc2c1)N[*:1]
NC(=O)C1(NC(=O)CCNC(=O)c2ccc3ccccc3c2)CCCCC1 NC(=O)[*:1] O=C(CCNC(=O)c1ccc2ccccc2c1)NC1(CCCCC1)[*:1]
Cc1cccc2sc(Nc3ncnc(NN4CC[NH+](C)CC4)c3[N+](=O)[O-])nc12 O=[N+]([O-])[*:1] Cc1cccc2sc(nc12)Nc1ncnc(NN2CC[NH+](C)CC2)c1[*:1]
C[NH+]1CCN(c2ccccc2NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ccccc1NC(=O)c1nn(C[*:1])c(=O)c2ccccc12
C[NH+]1CCN(c2ccccc2NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCN(CC1)c1ccccc1NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
Cc1cccc2nc(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)cc(=O)n12 c1cc2OCCCOc2cc1[*:1] Cc1cccc2nc(cc(=O)n12)CN1CCN(CC1)S(=O)(=O)[*:1]
CC(C)[NH+]1CCN([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 NC(=O)[*:1] CC(C)[NH+]1CCN(CC1)[C@H](C)C(=O)N1CCC[C@H](C1)[*:1]
CC(C)[NH+]1CCN([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 CC(C)[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)C(N)=O)N1CC[NH+](CC1)[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(F)c(F)cc1Cl c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1cc(F)c(F)cc1Cl
CSc1nc([O-])c(C(=O)N[C@@H](C)CCC(C)C)cc1C#N CC(C)CC[C@H](C)[*:1] CSc1nc([O-])c(cc1C#N)C(=O)N[*:1]
CSc1nc([O-])c(C(=O)N[C@@H](C)CCC(C)C)cc1C#N CC(C)CC[*:1] CSc1nc([O-])c(cc1C#N)C(=O)N[C@@H](C)[*:1]
CSc1nc([O-])c(C(=O)N[C@@H](C)CCC(C)C)cc1C#N CC(C)[*:1] CSc1nc([O-])c(cc1C#N)C(=O)N[C@@H](C)CC[*:1]
CSc1nc([O-])c(C(=O)N[C@@H](C)CCC(C)C)cc1C#N CC(C)C[*:1] CSc1nc([O-])c(cc1C#N)C(=O)N[C@@H](C)C[*:1]
O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1C[C@@H]2C=C[C@H]1C2 C1CN(CCO1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])[C@@H]1C[C@@H]2C=C[C@H]1C2
Cc1ccc(-c2cc(=O)[nH]c(-c3ccccc3F)n2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-c1cc(=O)[nH]c(n1)[*:1]
Cc1ccc(-c2cc(=O)[nH]c(-c3ccccc3F)n2)cc1 Cc1ccc(cc1)[*:1] O=c1cc(nc([nH]1)-c1ccccc1F)[*:1]
O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 Fc1ccccc1[*:1] O=C(NCCC[NH+]1CCN(CC1)[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)c(Cl)c1
O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1Cl)[*:1] O=C(NCCC[NH+]1CCN(CC1)c1ccccc1F)[C@H]1CC(=O)N(C1)[*:1]
COc1ccccc1NC(=O)c1cc(C)n(Cc2ccccn2)c1C c1ccc(nc1)[*:1] COc1ccccc1NC(=O)c1cc(C)n(C[*:1])c1C
COc1ccccc1NC(=O)c1cc(C)n(Cc2ccccn2)c1C c1ccc(C[*:1])nc1 COc1ccccc1NC(=O)c1cc(C)n(c1C)[*:1]
COc1ccccc1NC(=O)c1cc(C)n(Cc2ccccn2)c1C COc1ccccc1[*:1] Cc1cc(C(=O)N[*:1])c(C)n1Cc1ccccn1
Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)on1 Clc1ccc(cc1)[*:1] Cc1cc(on1)C(=O)Nc1nc(c(C)s1)[*:1]
Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)on1 Cc1cc(on1)[*:1] Cc1sc(nc1-c1ccc(Cl)cc1)NC(=O)[*:1]
CC(C)CC[C@@H](C)NC(=O)CN1CCO[C@H](CO)C1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)CN1CCO[C@H](CO)C1
CC(C)CC[C@@H](C)NC(=O)CN1CCO[C@H](CO)C1 CC(C)CC[*:1] C[C@@H](NC(=O)CN1CCO[C@H](CO)C1)[*:1]
CC(C)CC[C@@H](C)NC(=O)CN1CCO[C@H](CO)C1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)CN1CCO[C@H](CO)C1
CC(C)Oc1ncccc1NCc1c[nH+]cn1C1CC1 CC(C)[*:1] c1cnc(O[*:1])c(c1)NCc1c[nH+]cn1C1CC1
CC(C)Oc1ncccc1NCc1c[nH+]cn1C1CC1 C1CC1[*:1] CC(C)Oc1ncccc1NCc1c[nH+]cn1[*:1]
CC(C)Oc1ncccc1NCc1c[nH+]cn1C1CC1 CC(C)O[*:1] c1cnc(c(c1)NCc1c[nH+]cn1C1CC1)[*:1]
CNC(=O)CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 CNC(=O)C[*:1] O=S(=O)(c1ccc2OCCc2c1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 CNC(=O)[*:1] O=S(=O)(c1ccc2OCCc2c1)N1CCC(CC1)C[*:1]
C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ncccn2)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1c1ncccn1
C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ncccn2)cc1OC c1cnc(nc1)[*:1] C=CCOc1ccc(cc1OC)[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ncccn2)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1c1ncccn1
CC[C@H]1C=CCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O Clc1cccc(Cl)c1[*:1] CC[C@H]1C=CCN1C(=O)c1cnc(C[*:1])[nH]c1=O
C[C@H](c1ccccc1Cl)N1CCN(c2ncnc3nc[nH]c23)CC1 Clc1ccccc1[*:1] C[C@H](N1CCN(CC1)c1ncnc2nc[nH]c12)[*:1]
COc1ccc(C(=O)NC(C)C)c(F)c1 CC(C)[*:1] COc1ccc(C(=O)N[*:1])c(F)c1
Cc1cc(C)c(-n2cccn2)c(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c1 c1cnn(c1)[*:1] Cc1cc(C)c(c(c1)CN1CCc2c(C1)nc([nH]c2=O)-c1ccncc1)[*:1]
Cc1cc(C)c(-n2cccn2)c(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c1 c1cc(ccn1)[*:1] Cc1cc(C)c(c(c1)CN1CCc2c(C1)nc([nH]c2=O)[*:1])-n1cccn1
Cc1nnc2ccc(N3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)nn12 c1ccc(nc1)[*:1] Cc1nnc2ccc(nn12)N1CCC[C@H](C1)C[NH+]1CCN(CC1)[*:1]
COC(=O)C1(NC(=O)CCc2nnc(-c3ccsc3)o2)CCCC1 c1cc(cs1)[*:1] COC(=O)C1(CCCC1)NC(=O)CCc1nnc(o1)[*:1]
COC(=O)C1(NC(=O)CCc2nnc(-c3ccsc3)o2)CCCC1 COC(=O)[*:1] O=C(CCc1nnc(o1)-c1ccsc1)NC1(CCCC1)[*:1]
CCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ccccc1 CCO[*:1] Cc1cc(NC(=O)c2ccccc2[*:1])n(n1)-c1ccccc1
CCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1C(=O)Nc1cc(C)nn1[*:1]
CCCCN(CC(F)(F)F)C(=O)c1cccc(OC)c1F CCCC[*:1] COc1cccc(C(=O)N(CC(F)(F)F)[*:1])c1F
CCCCN(CC(F)(F)F)C(=O)c1cccc(OC)c1F FC(F)(F)[*:1] CCCCN(C[*:1])C(=O)c1cccc(OC)c1F
CCCCN(CC(F)(F)F)C(=O)c1cccc(OC)c1F CCC[*:1] COc1cccc(C(=O)N(CC(F)(F)F)C[*:1])c1F
CCCCN(CC(F)(F)F)C(=O)c1cccc(OC)c1F FC(F)(F)C[*:1] CCCCN(C(=O)c1cccc(OC)c1F)[*:1]
COC(=O)/C=C1\S/C(=N\c2ccc(F)c(F)c2)N(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] COC(=O)/C=C1\S/C(=N\c2ccc(F)c(F)c2)N(C1=O)[*:1]
COC(=O)/C=C1\S/C(=N\c2ccc(F)c(F)c2)N(Cc2ccccc2)C1=O Fc1ccc(cc1F)[*:1] COC(=O)/C=C1\SC(=N[*:1])N(Cc2ccccc2)C1=O
COC(=O)/C=C1\S/C(=N\c2ccc(F)c(F)c2)N(Cc2ccccc2)C1=O COC(=O)[*:1] O=C1C(=C[*:1])S/C(=N\c2ccc(F)c(F)c2)N1Cc1ccccc1
COC(=O)/C=C1\S/C(=N\c2ccc(F)c(F)c2)N(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] COC(=O)/C=C1\S/C(=N\c2ccc(F)c(F)c2)N(C[*:1])C1=O
N#C/C(=C/c1ccncc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] N#C/C(=C/c1ccncc1)C(=O)Nc1ccc(cc1)[*:1]
N#C/C(=C/c1ccncc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 c1cc(ccn1)[*:1] N#CC(=C[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
O=C(Nc1ccccc1)C1CCN(C(=O)c2c[nH]c3c[nH+]ccc23)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1c[nH]c2c[nH+]ccc12
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@]1([NH3+])CCOC1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)[C@]1([NH3+])CCOC1)[*:1]
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccs1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCc1cccs1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[*:1]
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccs1)c1ccccc1Cl O=C(NCc1cccs1)[*:1] O=C(N[C@@H](Cc1c[nH]c2ccccc12)[*:1])c1ccccc1Cl
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccs1)c1ccccc1Cl c1ccc2c(c[nH]c2c1)C[*:1] O=C(N[C@@H](C(=O)NCc1cccs1)[*:1])c1ccccc1Cl
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccs1)c1ccccc1Cl c1csc(c1)[*:1] O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[*:1])c1ccccc1Cl
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccs1)c1ccccc1Cl c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@@H](C[*:1])C(=O)NCc1cccs1)c1ccccc1Cl
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccs1)c1ccccc1Cl O=C(N[*:1])c1ccccc1Cl O=C(NCc1cccs1)[C@H](Cc1c[nH]c2ccccc12)[*:1]
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccs1)c1ccccc1Cl c1csc(c1)C[*:1] O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1])c1ccccc1Cl
CCOC(=O)C1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 CC1CCN(CC1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)NCc1ccc([nH+]c1)[*:1]
CCOC(=O)C1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 CCOC(=O)[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)N1CCC(CC1)[*:1]
C/[NH+]=C(/NCCNc1nccc(C(F)(F)F)n1)N1CCc2ccccc21 FC(F)(F)[*:1] C/[NH+]=C(/NCCNc1nccc(n1)[*:1])N1CCc2ccccc21
CN(CC(F)F)C(=O)NCCNC(=O)C1CC1 FC(F)[*:1] CN(C[*:1])C(=O)NCCNC(=O)C1CC1
CN(CC(F)F)C(=O)NCCNC(=O)C1CC1 C1CC1[*:1] CN(CC(F)F)C(=O)NCCNC(=O)[*:1]
CN(CC(F)F)C(=O)NCCNC(=O)C1CC1 FC(F)C[*:1] CN(C(=O)NCCNC(=O)C1CC1)[*:1]
C[NH+]1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)[NH2+]CC(c1ccccc1)[*:1]
CNC(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1 CNC(=O)C[*:1] Cc1ccccc1OCc1nnc(S[*:1])n1-c1ccccc1
CNC(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1 Cc1ccccc1[*:1] CNC(=O)CSc1nnc(CO[*:1])n1-c1ccccc1
CNC(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1 CNC(=O)CS[*:1] Cc1ccccc1OCc1nnc(n1-c1ccccc1)[*:1]
CNC(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)CSc1nnc(COc2ccccc2C)n1[*:1]
CNC(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1 CNC(=O)[*:1] Cc1ccccc1OCc1nnc(SC[*:1])n1-c1ccccc1
CNC(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1 Cc1ccccc1O[*:1] CNC(=O)CSc1nnc(C[*:1])n1-c1ccccc1
COc1ccc2c(c1)c1ncn(CC[NH+]3CCN(Cc4ccccc4)CC3)c(=O)c1n2C c1ccc(cc1)[*:1] COc1ccc2c(c1)c1ncn(CC[NH+]3CCN(CC3)C[*:1])c(=O)c1n2C
COc1ccc2c(c1)c1ncn(CC[NH+]3CCN(Cc4ccccc4)CC3)c(=O)c1n2C c1ccc(cc1)C[*:1] COc1ccc2c(c1)c1ncn(CC[NH+]3CCN(CC3)[*:1])c(=O)c1n2C
COc1ccc2c(c1)[C@H]([NH3+])[C@H](N1CCOCC1)CC2 C1CN(CCO1)[*:1] COc1ccc2CC[C@@H]([C@@H]([NH3+])c2c1)[*:1]
CCNC(=O)c1cccc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)c1 CCNC(=O)[*:1] C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(c2)[*:1])C1
COc1ccccc1[C@@H](CNC(=O)c1n[nH]c2ccccc12)[NH+]1CCCC1 COc1ccccc1[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1n[nH]c2ccccc12
COc1ccccc1[C@@H](CNC(=O)c1n[nH]c2ccccc12)[NH+]1CCCC1 c1ccc2c(n[nH]c2c1)[*:1] COc1ccccc1[C@@H](CNC(=O)[*:1])[NH+]1CCCC1
CC(C)n1ncc2cc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cnc21 c1csc(c1)[*:1] CC(C)n1ncc2cc(cnc21)C(=O)N(C[C@@H]1CCCO1)C[*:1]
CC(C)n1ncc2cc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cnc21 c1csc(c1)C[*:1] CC(C)n1ncc2cc(cnc21)C(=O)N(C[C@@H]1CCCO1)[*:1]
CC(C)n1ncc2cc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cnc21 CC(C)[*:1] O=C(c1cnc2c(cnn2[*:1])c1)N(Cc1cccs1)C[C@@H]1CCCO1
CC(C)n1ncc2cc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)cnc21 C1CO[C@@H](C1)C[*:1] CC(C)n1ncc2cc(cnc21)C(=O)N(Cc1cccs1)[*:1]
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cccc2ccccc12 CCN(CC)C(=O)[*:1] [NH3+][C@@H]1C[C@H](N(C1)C(=O)Cc1cccc2ccccc12)[*:1]
O=C(Nc1c(F)cc(F)cc1F)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(Nc1c(F)cc(F)cc1F)N[C@H]1C=C[C@@H](C1)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)Nc2cnn(C(C)(C)C)c2)cc1 CC(C)(C)[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)Nc1cnn(c1)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)Nc2cnn(C(C)(C)C)c2)cc1 CN(C)C(=O)[*:1] CC(C)(C)n1cc(cn1)NC(=O)NCc1ccc(cc1)[*:1]
O=C(NNc1ccccc1F)Nc1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] O=C(NNc1ccccc1F)Nc1ccc(cc1)[*:1]
O=C(NNc1ccccc1F)Nc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] O=C(NNc1ccccc1F)Nc1ccc(cc1)S(=O)(=O)[*:1]
O=C(NNc1ccccc1F)Nc1ccc(S(=O)(=O)C(F)F)cc1 Fc1ccccc1[*:1] O=C(NN[*:1])Nc1ccc(cc1)S(=O)(=O)C(F)F
CNC(=O)c1cccc(CCNCc2c[nH]nc2-c2cccs2)c1 c1csc(c1)[*:1] CNC(=O)c1cccc(c1)CCNCc1c[nH]nc1[*:1]
CNC(=O)c1cccc(CCNCc2c[nH]nc2-c2cccs2)c1 CNC(=O)[*:1] c1cc(cc(c1)[*:1])CCNCc1c[nH]nc1-c1cccs1
Nc1ccc(F)cc1NC(=O)COCc1ccco1 c1coc(c1)C[*:1] Nc1ccc(F)cc1NC(=O)CO[*:1]
Nc1ccc(F)cc1NC(=O)COCc1ccco1 c1coc(c1)[*:1] Nc1ccc(F)cc1NC(=O)COC[*:1]
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)n1 C[C@H](NC(=O)C1CC1)[*:1] Cc1cccc(CN2CCc3nnc(n3CC2)[*:1])n1
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)n1 O=C(N[*:1])C1CC1 Cc1cccc(CN2CCc3nnc([C@H](C)[*:1])n3CC2)n1
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)n1 C1CC1[*:1] Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)[*:1])n3CC2)n1
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)n1 Cc1cccc(n1)[*:1] C[C@H](NC(=O)C1CC1)c1nnc2CCN(CCn21)C[*:1]
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)n1 Cc1cccc(C[*:1])n1 C[C@H](NC(=O)C1CC1)c1nnc2CCN(CCn21)[*:1]
Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(Cc1[nH+]ccn1C)C2 Cc1noc(C)c1C[*:1] Cn1cc[nH+]c1CN1C[C@H]2CC[C@@H]1CN(C2)[*:1]
Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(Cc1[nH+]ccn1C)C2 Cc1noc(C)c1[*:1] Cn1cc[nH+]c1CN1C[C@H]2CC[C@@H]1CN(C2)C[*:1]
Cc1[nH+]c([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CCCN2CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1[nH+]c(nc2c1CCCN2[*:1])[C@@H]1CCCN(C1)C(=O)c1ccccn1
Cc1[nH+]c([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CCCN2CCc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH+]c(nc2c1CCCN2CC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccccn1
Cc1[nH+]c([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CCCN2CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH+]c(nc2c1CCCN2C[*:1])[C@@H]1CCCN(C1)C(=O)c1ccccn1
Cc1[nH+]c([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CCCN2CCc1ccccc1 c1ccc(nc1)[*:1] Cc1[nH+]c(nc2c1CCCN2CCc1ccccc1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(=O)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1cc(ccc1O)[N+](=O)[O-])c1ccc(=O)n(n1)[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(=O)n(-c2ccccc2)n1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1O)[*:1])c1ccc(=O)n(n1)-c1ccccc1
C[C@H]1CCN(C(=O)c2cccnc2OCC(F)F)[C@@H]1C FC(F)C[*:1] C[C@H]1CCN(C(=O)c2cccnc2O[*:1])[C@@H]1C
C[C@H]1CCN(C(=O)c2cccnc2OCC(F)F)[C@@H]1C FC(F)[*:1] C[C@H]1CCN(C(=O)c2cccnc2OC[*:1])[C@@H]1C
C[C@H]1CCN(C(=O)c2cccnc2OCC(F)F)[C@@H]1C FC(F)CO[*:1] C[C@H]1CCN(C(=O)c2cccnc2[*:1])[C@@H]1C
CCC(=O)N1CCc2cc(C(=O)N[C@H](C)c3cc(C)sc3C)ccc21 Cc1cc(c(C)s1)[*:1] CCC(=O)N1CCc2cc(ccc21)C(=O)N[C@H](C)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1/[NH+]=C/c1cc([N+](=O)[O-])ccc1[O-] O=[N+]([O-])[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1/[NH+]=C/c1cc(ccc1[O-])[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1/[NH+]=C/c1cc([N+](=O)[O-])ccc1[O-] CC[S@@](=O)[*:1] O=[N+]([O-])c1ccc([O-])c(/C=[NH+]/[C@H]2CCCC[C@H]2[*:1])c1
COCCCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O COC[*:1] O=C(CC[*:1])N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O
COCCCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O COCC[*:1] O=C(C[*:1])N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O
COCCCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O COCCC[*:1] O=C(N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)[*:1]
COc1ccc(CN(C)C(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)cc1F COc1ccc(cc1F)[*:1] CN(C[*:1])C(=O)CN1CCC[C@H]1C[NH+]1CCCCC1
O=C(CSC1CCCCC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(CSC1CCCCC1)N(C1CCCC1)[*:1]
O=C(CSC1CCCCC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(CC1)[*:1] O=C(CS[*:1])N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
O=C(CSC1CCCCC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(CC1)S[*:1] O=C(C[*:1])N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
O=C(CSC1CCCCC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] O=C(CSC1CCCCC1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCOc1ccc([C@@H]2C[C@H](c3cccnc3)Nc3nnnn32)cc1 c1cncc(c1)[*:1] CCOc1ccc(cc1)[C@@H]1C[C@H](Nc2nnnn21)[*:1]
CCOc1ccc([C@@H]2C[C@H](c3cccnc3)Nc3nnnn32)cc1 CCO[*:1] c1cncc(c1)[C@H]1C[C@@H](c2ccc(cc2)[*:1])n2nnnc2N1
Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CNC(=O)C(=O)NC[C@H](N1CCOCC1)[*:1]
Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@H](c1ccco1)N1CCOCC1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)CNC(=O)C(=O)NC[C@H](c1ccco1)[*:1]
Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 Cc1ccc(cc1)C[*:1] O=C(NC[C@H](c1ccco1)N1CCOCC1)C(=O)N[*:1]
O=C(NCc1nnc2ccccn12)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(NCc1nnc2ccccn12)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(NCc1nnc2ccccn12)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 c1ccn2c(nnc2c1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
O=C(COc1ccc2nccnc2c1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(COc1ccc2nccnc2c1)N[*:1]
CCCc1nc2c3cc(OC)c(OC)cc3n(Cc3ccc([N+](=O)[O-])cc3)c(=O)n2n1 O=[N+]([O-])c1ccc(cc1)[*:1] CCCc1nc2c3cc(OC)c(cc3n(C[*:1])c(=O)n2n1)OC
CCCc1nc2c3cc(OC)c(OC)cc3n(Cc3ccc([N+](=O)[O-])cc3)c(=O)n2n1 O=[N+]([O-])[*:1] CCCc1nc2c3cc(OC)c(cc3n(Cc3ccc(cc3)[*:1])c(=O)n2n1)OC
CCCc1nc2c3cc(OC)c(OC)cc3n(Cc3ccc([N+](=O)[O-])cc3)c(=O)n2n1 O=[N+]([O-])c1ccc(cc1)C[*:1] CCCc1nc2c3cc(OC)c(cc3n(c(=O)n2n1)[*:1])OC
CCCc1nc2c3cc(OC)c(OC)cc3n(Cc3ccc([N+](=O)[O-])cc3)c(=O)n2n1 CCC[*:1] COc1cc2c(cc1OC)n(Cc1ccc(cc1)[N+](=O)[O-])c(=O)n1nc(nc21)[*:1]
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCC(n2cccc2)CC1 c1ccn(c1)[*:1] O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCC(CC1)[*:1]
COc1cc(/C=N/NC(=O)C[N+](C)(C)C)cc(OC)c1OC C[N+](C)(C)[*:1] COc1cc(/C=N/NC(=O)C[*:1])cc(OC)c1OC
COc1cc(/C=N/NC(=O)C[N+](C)(C)C)cc(OC)c1OC C[N+](C)(C)C[*:1] COc1cc(/C=N/NC(=O)[*:1])cc(OC)c1OC
COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 O=C(Nc1ccccn1)[*:1] COc1ccc(cc1)[C@@H]1C2C(=O)CC(C)(C)CC=2NC(C)=C1[*:1]
COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 COc1ccc(cc1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)Nc1ccccn1)[*:1]
COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)[C@H]1C(C(=O)N[*:1])=C(C)NC2CC(C)(C)CC(=O)C=21
CC(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccco1 CC(=O)N[*:1] C[NH+](C)CCN(Cc1ccco1)C(=O)C[*:1]
CC(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccco1 c1coc(c1)[*:1] CC(=O)NCC(=O)N(CC[NH+](C)C)C[*:1]
CC(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccco1 c1coc(c1)C[*:1] CC(=O)NCC(=O)N(CC[NH+](C)C)[*:1]
CC(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccco1 CC(=O)NC[*:1] C[NH+](C)CCN(Cc1ccco1)C(=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 CCO[*:1] O=C(c1cccc(c1)N1CCCC1=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 O=C1CCCN1[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)c1cccc(c1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(c1cccc(c1)N1CCCC1=O)N1CC=C(CC1)[*:1]
COCCNC(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 COC[*:1] O=C(NC[*:1])Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1
COCCNC(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 COCC[*:1] O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)N[*:1]
O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H](n2cncn2)C1 c1ncn(n1)[*:1] O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H](C1)[*:1]
CC(C)CNC(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 CC(C)C[*:1] C[C@@H]1CCC[C@@H](C1)OCc1cccc(c1)NC(=O)C(=O)N[*:1]
CC(C)CNC(=O)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 CC(C)[*:1] C[C@@H]1CCC[C@@H](C1)OCc1cccc(c1)NC(=O)C(=O)NC[*:1]
C[C@H](Sc1nnnn1C1CCCCC1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](Sc1nnnn1C1CCCCC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@H](Sc1nnnn1C1CCCCC1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 CC(C)(C)C(=O)N[*:1] C[C@H](Sc1nnnn1C1CCCCC1)C(=O)c1ccc(cc1)[*:1]
C[C@H](Sc1nnnn1C1CCCCC1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 C1CCC(CC1)[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)c1ccc(cc1)NC(=O)C(C)(C)C
O=C(N[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(N[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)[*:1]
Cn1ccc2ccc(NC(=O)C(=O)NC[C@@H](O)C3CCCC3)cc21 C1CCC(C1)[*:1] Cn1ccc2ccc(cc21)NC(=O)C(=O)NC[C@@H](O)[*:1]
C/[NH+]=C(/NCCc1nc(C(C)C)no1)N[C@H]1CCC[C@H](C)C1 CC(C)[*:1] C/[NH+]=C(/NCCc1nc(no1)[*:1])N[C@H]1CCC[C@H](C)C1
C/[NH+]=C(/NCCc1nc(C(C)C)no1)N[C@H]1CCC[C@H](C)C1 C[C@H]1CCC[C@@H](C1)[*:1] C/[NH+]=C(/NCCc1nc(no1)C(C)C)N[*:1]
C[C@H](NC(=O)c1ccnc(-n2cncn2)c1)c1ccc(OC(F)F)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)c1ccnc(c1)[*:1])c1ccc(cc1)OC(F)F
C[C@H](NC(=O)c1ccnc(-n2cncn2)c1)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H](NC(=O)c1ccnc(c1)-n1cncn1)c1ccc(cc1)O[*:1]
C[C@H](NC(=O)c1ccnc(-n2cncn2)c1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H](NC(=O)c1ccnc(c1)-n1cncn1)c1ccc(cc1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)N(C)[C@H](C)c1cc(F)ccc1F
CCCC(=O)Nc1cccc(NC(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1C CCC[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)N(C)[C@H](C)c1cc(F)ccc1F
CCCC(=O)Nc1cccc(NC(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1C Fc1ccc(F)c(c1)[*:1] CCCC(=O)Nc1cccc(NC(=O)N(C)[C@H](C)[*:1])c1C
CC(=O)[C@H](Cl)Cc1ccccc1Cl CC(=O)[*:1] Clc1ccccc1C[C@@H](Cl)[*:1]
COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccnc2)cc1 COc1ccc(cc1)[*:1] OC1C[C@H](c2cccnc2)c2ncn(c2N=1)[*:1]
COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccnc2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)-n1cnc2c1N=C(O)C[C@H]2[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 CCCC[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)[C@@H]1CSCN1C(=O)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 CCC[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)[C@@H]1CSCN1C(=O)C[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1CCN(C1)[*:1]
Cc1ccc(CSCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 Cc1ccc(cc1)C[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)CS[*:1]
Cc1ccc(CSCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 Cc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)CSC[*:1]
Cc1cccc(-n2ncc3c2ncn2nc(-c4cccc(F)c4)nc32)c1 Cc1cccc(c1)[*:1] Fc1cccc(c1)-c1nc2c3cnn(c3ncn2n1)[*:1]
Cc1cccc(-n2ncc3c2ncn2nc(-c4cccc(F)c4)nc32)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1)-n1ncc2c1ncn1nc(nc21)[*:1]
O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)O[*:1] O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(nc1)[*:1]
O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)[*:1] O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(nc1)O[*:1]
FC(F)(F)c1ccc(N2CCC[C@@H]([NH2+]Cc3ccc4c(c3)OCCO4)C2)nc1 FC(F)(F)[*:1] c1cc2OCCOc2cc1C[NH2+][C@@H]1CCCN(C1)c1ccc(cn1)[*:1]
CCC(=O)N1CCC[C@H](C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@H](C1)[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)N(C)[*:1]
CCOC(=O)c1cc(=O)c2c([N+](=O)[O-])ccc(OC)c2o1 O=[N+]([O-])[*:1] CCOC(=O)c1cc(=O)c2c(ccc(OC)c2o1)[*:1]
CCOC(=O)c1cc(=O)c2c([N+](=O)[O-])ccc(OC)c2o1 CCOC(=O)[*:1] COc1ccc(c2c(=O)cc(oc12)[*:1])[N+](=O)[O-]
COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)ccc1O CC(C)[*:1] COc1cc(ccc1O)[C@@H]1C(C(=O)O[*:1])=C(C)Nc2ncnn21
COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)ccc1O CC(C)OC(=O)[*:1] COc1cc(ccc1O)[C@@H]1C(=C(C)Nc2ncnn21)[*:1]
CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)Nc2ccc(F)cc2F)C1 Cc1ccccc1C[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)Nc1ccc(F)cc1F)[*:1]
CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)Nc2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)N[*:1])Cc1ccccc1C
CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)Nc2ccc(F)cc2F)C1 Cc1ccccc1[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)Nc1ccc(F)cc1F)C[*:1]
CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)Nc2ccc(F)cc2F)C1 CCOC(=O)[*:1] Cc1ccccc1C[C@]1(CCCN(C1)C(=O)Nc1ccc(F)cc1F)[*:1]
O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1[NH+]1CCOCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1[NH+]1CCOCC1)[*:1]
Cc1ccc(NC(=O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c(C)c1 O=C(N[*:1])c1ccccc1 Cc1ccc(NC(=O)Cn2c(CC[*:1])nc3ccccc32)c(C)c1
Cc1ccc(NC(=O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)Cn2c(CCNC(=O)[*:1])nc3ccccc32)c(C)c1
Cc1ccc(NC(=O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21)N[*:1]
Cc1ccc(NC(=O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c(C)c1 O=C(NC[*:1])c1ccccc1 Cc1ccc(NC(=O)Cn2c(C[*:1])nc3ccccc32)c(C)c1
Cc1nn(C)c(C)c1C[C@H](C)Nc1nc(-c2ccncc2)nc2c1CCC2 Cc1nn(C)c(C)c1C[*:1] C[C@H](Nc1nc(nc2CCCc21)-c1ccncc1)[*:1]
Cc1nn(C)c(C)c1C[C@H](C)Nc1nc(-c2ccncc2)nc2c1CCC2 c1cc(ccn1)[*:1] Cc1nn(C)c(C)c1C[C@H](C)Nc1nc(nc2CCCc21)[*:1]
Cc1nn(C)c(C)c1C[C@H](C)Nc1nc(-c2ccncc2)nc2c1CCC2 Cc1nn(C)c(C)c1[*:1] C[C@@H](C[*:1])Nc1nc(nc2CCCc21)-c1ccncc1
COC(=O)[C@@]1(F)CCN(C(=O)c2ccncc2Cl)C1 COC(=O)[*:1] O=C(c1ccncc1Cl)N1CC[C@](F)(C1)[*:1]
Cc1ncncc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 Cc1ncncc1[*:1] O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
Cc1ncncc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 c1cc(ccn1)[*:1] Cc1ncncc1C(=O)N1C[C@H]2CC[C@@H]1CN(C2)C(=O)[*:1]
COc1ccccc1-n1cnn(C[NH+](C)CCc2ccccc2)c1=S c1ccc(cc1)C[*:1] COc1ccccc1-n1cnn(C[NH+](C)C[*:1])c1=S
COc1ccccc1-n1cnn(C[NH+](C)CCc2ccccc2)c1=S c1ccc(cc1)[*:1] COc1ccccc1-n1cnn(C[NH+](C)CC[*:1])c1=S
COc1ccccc1-n1cnn(C[NH+](C)CCc2ccccc2)c1=S COc1ccccc1[*:1] C[NH+](CCc1ccccc1)Cn1ncn(c1=S)[*:1]
COc1ccccc1-n1cnn(C[NH+](C)CCc2ccccc2)c1=S c1ccc(cc1)CC[*:1] COc1ccccc1-n1cnn(C[NH+](C)[*:1])c1=S
Cc1cnc(-c2cccc(NC(=O)N3CCC[C@H]4CCC[C@H]43)c2)o1 Cc1cnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@H]2CCC[C@H]21
CCc1ccc2nc(NC(=O)NC[C@@H](Cc3cnn(C)c3)C(N)=O)sc2c1 Cn1cc(cn1)[*:1] CCc1ccc2nc(NC(=O)NC[C@@H](C[*:1])C(N)=O)sc2c1
CCc1ccc2nc(NC(=O)NC[C@@H](Cc3cnn(C)c3)C(N)=O)sc2c1 NC(=O)[*:1] CCc1ccc2nc(NC(=O)NC[C@@H](Cc3cnn(C)c3)[*:1])sc2c1
CCc1ccc2nc(NC(=O)NC[C@@H](Cc3cnn(C)c3)C(N)=O)sc2c1 Cn1cc(cn1)C[*:1] CCc1ccc2nc(NC(=O)NC[C@@H](C(N)=O)[*:1])sc2c1
Cc1cc(NC(=O)[C@@H]2Cc3ccccc3O2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2O1
Cc1cc(C)c(NNC(=O)c2cnn(-c3ccccc3F)c2)c(C)c1 Fc1ccccc1[*:1] Cc1cc(C)c(NNC(=O)c2cnn(c2)[*:1])c(C)c1
Cc1cc(C)cc(N(C)CC(C)(C)CS)c1 CC(C)(CS)[*:1] Cc1cc(C)cc(c1)N(C)C[*:1]
CCCc1cc(NC(=O)c2ncccc2C(F)(F)F)n[nH]1 FC(F)(F)[*:1] CCCc1cc(n[nH]1)NC(=O)c1ncccc1[*:1]
CCCc1cc(NC(=O)c2ncccc2C(F)(F)F)n[nH]1 CCC[*:1] O=C(Nc1cc([nH]n1)[*:1])c1ncccc1C(F)(F)F
COc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)C1CSc2nnc(n2N=1)[*:1]
CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)Cc1ccon1 CCO[*:1] C[C@H]1CC(C)(C)N(C(=O)Cc2ccon2)c2ccc(cc21)[*:1]
CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)Cc1ccon1 c1cc(C[*:1])no1 CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)[*:1]
CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)Cc1ccon1 c1cc(no1)[*:1] CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)C[*:1]
CC[C@H](NC(=O)COc1ccc(Br)cc1)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)COc1ccc(Br)cc1)[*:1]
CC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ncn(C)n3)cc2)CC1 Cn1cnc(C[*:1])n1 CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ncn(C)n3)cc2)CC1 Cn1cnc(n1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
C[C@H](CNC(=O)Nc1ccc(C(N)=O)cc1)N1CCc2ccccc21 NC(=O)[*:1] C[C@H](CNC(=O)Nc1ccc(cc1)[*:1])N1CCc2ccccc21
CCO[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc([S@](C)=O)c2)C12CCC2 CCO[*:1] C[S@](=O)c1cccc(c1)NC(=O)C(=O)N[C@H]1C[C@@H](C12CCC2)[*:1]
CCO[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc([S@](C)=O)c2)C12CCC2 C[S@](=O)[*:1] CCO[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(c2)[*:1])C12CCC2
CCCNC(=O)c1cccc(C(=O)N2CCS[C@H](C)[C@H]2C)c1 CCCNC(=O)[*:1] C[C@H]1SCCN(C(=O)c2cccc(c2)[*:1])[C@@H]1C
CCCNC(=O)c1cccc(C(=O)N2CCS[C@H](C)[C@H]2C)c1 CCC[*:1] C[C@H]1SCCN(C(=O)c2cccc(c2)C(=O)N[*:1])[C@@H]1C
CNC(=O)[C@@H]1CCCN1C(=O)CN1CCN(c2ccc(OC)c(OC)c2)C1=O CNC(=O)[*:1] COc1ccc(cc1OC)N1CCN(CC(=O)N2CCC[C@H]2[*:1])C1=O
COC(=O)CSc1nc2ccc([N+](=O)[O-])cc2[nH]1 COC(=O)C[*:1] O=[N+]([O-])c1ccc2nc([nH]c2c1)S[*:1]
COC(=O)CSc1nc2ccc([N+](=O)[O-])cc2[nH]1 COC(=O)CS[*:1] O=[N+]([O-])c1ccc2nc([nH]c2c1)[*:1]
COC(=O)CSc1nc2ccc([N+](=O)[O-])cc2[nH]1 O=[N+]([O-])[*:1] COC(=O)CSc1nc2ccc(cc2[nH]1)[*:1]
COC(=O)CSc1nc2ccc([N+](=O)[O-])cc2[nH]1 COC(=O)[*:1] O=[N+]([O-])c1ccc2nc([nH]c2c1)SC[*:1]
Cc1ccc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)nc1 Cc1ccc(nc1)[*:1] Cc1nc2ccccc2n(CC(=O)N[*:1])c1=O
NC(=O)CONC(=O)[C@@H]1COc2ccccc21 NC(=O)C[*:1] O=C(NO[*:1])[C@@H]1COc2ccccc21
NC(=O)CONC(=O)[C@@H]1COc2ccccc21 NC(=O)[*:1] O=C(NOC[*:1])[C@@H]1COc2ccccc21
C[C@@H](C#N)Nc1ccccc1CCC(F)(F)F FC(F)(F)[*:1] C[C@@H](C#N)Nc1ccccc1CC[*:1]
C[C@@H](C#N)Nc1ccccc1CCC(F)(F)F FC(F)(F)C[*:1] C[C@@H](C#N)Nc1ccccc1C[*:1]
C[C@@H](C#N)Nc1ccccc1CCC(F)(F)F C[C@@H](C#N)N[*:1] FC(F)(F)CCc1ccccc1[*:1]
CCCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F CCC[*:1] O=C(Nc1ccccc1OC[*:1])c1ccc(cc1F)[N+](=O)[O-]
CCCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F CCCC[*:1] O=C(Nc1ccccc1O[*:1])c1ccc(cc1F)[N+](=O)[O-]
CCCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F CCCCO[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1F)[N+](=O)[O-]
CCCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] CCCCOc1ccccc1NC(=O)c1ccc(cc1F)[*:1]
COc1cccc([C@@]2(C)NC(=O)N(C[C@H](O)c3ccc(Cl)cc3)C2=O)c1 COc1cccc(c1)[*:1] C[C@]1(NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O)[*:1]
COc1cccc([C@@]2(C)NC(=O)N(C[C@H](O)c3ccc(Cl)cc3)C2=O)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)[C@@]1(C)NC(=O)N(C[C@H](O)[*:1])C1=O
Cc1ccc(N2CC[C@H](/C([O-])=N/S(=O)(=O)CCCF)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C1[C@H](CCN1[*:1])/C([O-])=N/S(=O)(=O)CCCF
Cc1ccc(N2CC[C@H](/C([O-])=N/S(=O)(=O)CCCF)C2=O)cc1C FCC[*:1] Cc1ccc(cc1C)N1CC[C@@H](C1=O)/C([O-])=N/S(=O)(=O)C[*:1]
Cc1ccc(N2CC[C@H](/C([O-])=N/S(=O)(=O)CCCF)C2=O)cc1C FCCC[*:1] Cc1ccc(cc1C)N1CC[C@@H](C1=O)/C([O-])=N/S(=O)(=O)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)nc1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1 COC(=O)C(C)(C)[*:1] O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1 Clc1ccc(cn1)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccc(c(C)c1)[*:1]
O=C(CCCn1cnnn1)N1CCC2(CC1)OCCC[C@H]2O c1nnnn1CC[*:1] O=C(C[*:1])N1CCC2(CC1)OCCC[C@H]2O
O=C(CCCn1cnnn1)N1CCC2(CC1)OCCC[C@H]2O c1nnnn1C[*:1] O=C(CC[*:1])N1CCC2(CC1)OCCC[C@H]2O
O=C(CCCn1cnnn1)N1CCC2(CC1)OCCC[C@H]2O c1nnnn1[*:1] O=C(CCC[*:1])N1CCC2(CC1)OCCC[C@H]2O
CC[C@@H](C)[C@H](NC(=O)[C@H](C)N1C(=O)N2CCC3=c4cc(OC)ccc4=[NH+][C@H]3[C@@]2(C)C1=O)C(=O)[O-] CC[C@@H](C)[*:1] COc1ccc2=[NH+][C@@H]3C(CCN4C(=O)N(C(=O)[C@]34C)[C@@H](C)C(=O)N[C@H](C(=O)[O-])[*:1])=c2c1
CC[C@@H](C)[C@H](NC(=O)[C@H](C)N1C(=O)N2CCC3=c4cc(OC)ccc4=[NH+][C@H]3[C@@]2(C)C1=O)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@H](NC(=O)[C@H](C)N1C(=O)N2CCC3=c4cc(ccc4=[NH+][C@H]3[C@@]2(C)C1=O)OC)[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@H](C)N1C(=O)N2CCC3=c4cc(OC)ccc4=[NH+][C@H]3[C@@]2(C)C1=O)C(=O)[O-] CC[C@@H](C)[C@H](NC(=O)[*:1])C(=O)[O-] COc1ccc2=[NH+][C@@H]3C(CCN4C(=O)N(C(=O)[C@]34C)[C@@H](C)[*:1])=c2c1
Cc1cc(NC(=O)C2CC2)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)C1CC1
Cc1cc(NC(=O)C2CC2)ccc1S(N)(=O)=O C1CC1[*:1] Cc1cc(ccc1S(N)(=O)=O)NC(=O)[*:1]
CN(C)[C@H](C(=O)NCc1ccon1)c1ccc(F)cc1 CN(C)[*:1] O=C(NCc1ccon1)[C@H](c1ccc(F)cc1)[*:1]
CN(C)[C@H](C(=O)NCc1ccon1)c1ccc(F)cc1 c1cc(no1)[*:1] CN(C)[C@H](C(=O)NC[*:1])c1ccc(F)cc1
CN(C)[C@H](C(=O)NCc1ccon1)c1ccc(F)cc1 c1cc(C[*:1])no1 CN(C)[C@H](C(=O)N[*:1])c1ccc(F)cc1
C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NC[C@@H](O)c1ccc(Cl)cc1
C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 CC(C)(C)C(=O)N[*:1] C[C@@H](C(=O)NC[C@@H](O)c1ccc(Cl)cc1)[*:1]
COc1cccc(N2CCN(C(=O)CSc3ncnc4c3sc3cccc(F)c34)CC2)c1 COc1cccc(c1)[*:1] O=C(CSc1ncnc2c1sc1cccc(F)c12)N1CCN(CC1)[*:1]
Cc1c(C(=O)N[C@H](C)CCc2ccccc2)nnn1-c1nc2c(s1)CCCC2 c1ccc(cc1)CC[*:1] Cc1c(nnn1-c1nc2CCCCc2s1)C(=O)N[C@H](C)[*:1]
Cc1c(C(=O)N[C@H](C)CCc2ccccc2)nnn1-c1nc2c(s1)CCCC2 C1CCc2sc(nc2C1)[*:1] Cc1c(nnn1[*:1])C(=O)N[C@H](C)CCc1ccccc1
Cc1c(C(=O)N[C@H](C)CCc2ccccc2)nnn1-c1nc2c(s1)CCCC2 c1ccc(cc1)C[*:1] Cc1c(nnn1-c1nc2CCCCc2s1)C(=O)N[C@H](C)C[*:1]
Cc1c(C(=O)N[C@H](C)CCc2ccccc2)nnn1-c1nc2c(s1)CCCC2 c1ccc(cc1)[*:1] Cc1c(nnn1-c1nc2CCCCc2s1)C(=O)N[C@H](C)CC[*:1]
CC(=O)N1CCc2cc(C(=O)OCCc3cccs3)ccc21 c1csc(c1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)OCC[*:1]
CC(=O)N1CCc2cc(C(=O)OCCc3cccs3)ccc21 c1csc(c1)C[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)OC[*:1]
CC(=O)N1CCc2cc(C(=O)OCCc3cccs3)ccc21 c1csc(c1)CC[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)O[*:1]
NNC(=O)[C@@H]1CCCN(C(=O)COc2ccc(-c3ccccc3)cc2)C1 c1ccc(cc1)[*:1] NNC(=O)[C@@H]1CCCN(C1)C(=O)COc1ccc(cc1)[*:1]
NNC(=O)[C@@H]1CCCN(C(=O)COc2ccc(-c3ccccc3)cc2)C1 NNC(=O)[*:1] O=C(COc1ccc(cc1)-c1ccccc1)N1CCC[C@H](C1)[*:1]
Cc1nc(-c2ccncc2)nn1C(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(nn1C(=O)[*:1])-c1ccncc1
Cc1nc(-c2ccncc2)nn1C(=O)c1ccccc1 c1cc(ccn1)[*:1] Cc1nc(nn1C(=O)c1ccccc1)[*:1]
CC1=CC(C)(C)N(C(=O)CSC#N)c2cc(C)ccc21 N#CS[*:1] CC1=CC(C)(C)N(C(=O)C[*:1])c2cc(C)ccc21
CC1=CC(C)(C)N(C(=O)CSC#N)c2cc(C)ccc21 N#CSC[*:1] CC1=CC(C)(C)N(C(=O)[*:1])c2cc(C)ccc21
COc1cccc(N(C)Cc2ccc([N+](=O)[O-])c(N)c2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)N(C)Cc1ccc(c(N)c1)[*:1]
COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 COC(=O)[C@H]1C[C@@H]1[*:1] C[NH+]1CCN(CC1)C[C@H](NC(=O)[*:1])c1ccccc1
COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H](CN1CC[NH+](C)CC1)[*:1]
COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 COC(=O)[*:1] C[NH+]1CCN(CC1)C[C@H](NC(=O)[C@@H]1C[C@@H]1[*:1])c1ccccc1
C[C@H]1OCC[C@H]1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC(CC1)N[*:1]
CC(=O)Nc1ccc(-c2nccn2Cc2cn(C)nc2C)cc1 Cc1nn(C)cc1[*:1] CC(=O)Nc1ccc(cc1)-c1nccn1C[*:1]
CC(=O)Nc1ccc(-c2nccn2Cc2cn(C)nc2C)cc1 CC(=O)N[*:1] Cc1nn(C)cc1Cn1ccnc1-c1ccc(cc1)[*:1]
CC[NH2+][C@H]1CCN(C[C@@H]2CCOC2)[C@H](C)[C@@H]1C C1C[C@H](CO1)[*:1] CC[NH2+][C@H]1CCN(C[*:1])[C@H](C)[C@@H]1C
O=C([O-])c1ccc(C[NH2+]CCCc2ccccc2)s1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(C[NH2+]CCC[*:1])s1
O=C([O-])c1ccc(C[NH2+]CCCc2ccccc2)s1 O=C([O-])[*:1] c1ccc(cc1)CCC[NH2+]Cc1ccc(s1)[*:1]
O=S(=O)(N1CCOCC1)N1CCC[C@H]1[C@@H]1CCC[C@@H]1O O[C@H]1CCC[C@H]1[*:1] O=S(=O)(N1CCOCC1)N1CCC[C@@H]1[*:1]
CC(C)CCn1ccc(NC(=O)NNc2ccccc2F)n1 CC(C)CC[*:1] O=C(NNc1ccccc1F)Nc1ccn(n1)[*:1]
CC(C)CCn1ccc(NC(=O)NNc2ccccc2F)n1 CC(C)[*:1] O=C(NNc1ccccc1F)Nc1ccn(CC[*:1])n1
CC(C)CCn1ccc(NC(=O)NNc2ccccc2F)n1 CC(C)C[*:1] O=C(NNc1ccccc1F)Nc1ccn(C[*:1])n1
CC(C)CCn1ccc(NC(=O)NNc2ccccc2F)n1 Fc1ccccc1[*:1] CC(C)CCn1ccc(n1)NC(=O)NN[*:1]
O=C(C1=Cc2cc(F)ccc2OC1)N1CCC(OC2CCCCC2)CC1 C1CCC(CC1)O[*:1] O=C(C1=Cc2cc(F)ccc2OC1)N1CCC(CC1)[*:1]
O=C(C1=Cc2cc(F)ccc2OC1)N1CCC(OC2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(C1=Cc2cc(F)ccc2OC1)N1CCC(CC1)O[*:1]
CC(=O)N1CCC(CCC(=O)Nc2cccc(C)c2C(N)=O)CC1 NC(=O)[*:1] CC(=O)N1CCC(CCC(=O)Nc2cccc(C)c2[*:1])CC1
O=C(N1CCC[C@](O)(CO)C1)C1(Cn2cccn2)CC1 c1cnn(c1)[*:1] O=C(N1CCC[C@](O)(CO)C1)C1(CC1)C[*:1]
O=C(N1CCC[C@](O)(CO)C1)C1(Cn2cccn2)CC1 c1cnn(c1)C[*:1] O=C(N1CCC[C@](O)(CO)C1)C1(CC1)[*:1]
O=C(Cc1ccccc1Cl)NCC1CCN(C(=O)c2ccncc2)CC1 Clc1ccccc1[*:1] O=C(C[*:1])NCC1CCN(CC1)C(=O)c1ccncc1
O=C(Cc1ccccc1Cl)NCC1CCN(C(=O)c2ccncc2)CC1 Clc1ccccc1C[*:1] O=C(c1ccncc1)N1CCC(CC1)CNC(=O)[*:1]
O=C(Cc1ccccc1Cl)NCC1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(Cc1ccccc1Cl)NCC1CCN(CC1)C(=O)[*:1]
O=C(c1ccccc1)c1ccc2c(c1)=[NH+][C@H](c1cccc(NC(=O)[C@H]3CCCO3)c1)[NH+]=2 O=C(N[*:1])[C@H]1CCCO1 O=C(c1ccccc1)c1ccc2=[NH+][C@H]([NH+]=c2c1)c1cccc(c1)[*:1]
O=C(c1ccccc1)c1ccc2c(c1)=[NH+][C@H](c1cccc(NC(=O)[C@H]3CCCO3)c1)[NH+]=2 O=C(c1ccccc1)[*:1] O=C(Nc1cccc(c1)[C@@H]1[NH+]=c2ccc(cc2=[NH+]1)[*:1])[C@H]1CCCO1
O=C(c1ccccc1)c1ccc2c(c1)=[NH+][C@H](c1cccc(NC(=O)[C@H]3CCCO3)c1)[NH+]=2 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[C@@H]1[NH+]=c2ccc(cc2=[NH+]1)C(=O)[*:1])[C@H]1CCCO1
O=C(c1ccccc1)c1ccc2c(c1)=[NH+][C@H](c1cccc(NC(=O)[C@H]3CCCO3)c1)[NH+]=2 C1CO[C@H](C1)[*:1] O=C(c1ccccc1)c1ccc2=[NH+][C@H]([NH+]=c2c1)c1cccc(c1)NC(=O)[*:1]
CN(C)C(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 O=C(c1ccc(Cl)cc1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)c1ccccc1[*:1]
CN(C)C(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 CN(C)C(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1C(=O)c1ccc(Cl)cc1
CN(C)C(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)c1ccccc1C(=O)[*:1]
Cc1cc(C)nc(SCc2ccc(C(=O)Nc3nc(-c4ccncc4)cs3)o2)n1 Cc1cc(C)nc(n1)S[*:1] O=C(Nc1nc(cs1)-c1ccncc1)c1ccc(C[*:1])o1
Cc1cc(C)nc(SCc2ccc(C(=O)Nc3nc(-c4ccncc4)cs3)o2)n1 Cc1cc(C)nc(n1)[*:1] O=C(Nc1nc(cs1)-c1ccncc1)c1ccc(CS[*:1])o1
Cc1cc(C)nc(SCc2ccc(C(=O)Nc3nc(-c4ccncc4)cs3)o2)n1 c1cc(ccn1)[*:1] Cc1cc(C)nc(n1)SCc1ccc(o1)C(=O)Nc1nc(cs1)[*:1]
CN1CCO[C@@H](CNc2nccn(C(C)(C)C)c2=O)C1 CC(C)(C)[*:1] CN1CCO[C@@H](CNc2nccn(c2=O)[*:1])C1
CN(C(=O)N[C@H]1CCc2c(O)cccc21)[C@H](c1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] CN(C(=O)N[C@H]1CCc2c(O)cccc21)[C@H](C1CC1)[*:1]
CN(C(=O)N[C@H]1CCc2c(O)cccc21)[C@H](c1ccc(F)cc1)C1CC1 C1CC1[*:1] CN(C(=O)N[C@H]1CCc2c(O)cccc21)[C@H](c1ccc(F)cc1)[*:1]
COCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] COCc1ccc(cc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[*:1]
COCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 COC[*:1] CN(C(=O)c1ccc(cc1)[*:1])[C@@H]1CCCC[C@H]1S(C)(=O)=O
COc1ccc(N2CCN(CC(=O)NN3CC[NH+](C)CC3)C2=O)cc1 COc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)NC(=O)CN1CCN(C1=O)[*:1]
O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2COc3ccccc3O2)C1 O=C([O-])[*:1] O=C([C@H]1COc2ccccc2O1)N1CCC[C@H](C1)[*:1]
CCc1ncc(CN(C)C(=O)c2cccc(NC(=O)c3cccs3)c2)s1 c1csc(c1)[*:1] CCc1ncc(CN(C)C(=O)c2cccc(c2)NC(=O)[*:1])s1
CCc1ncc(CN(C)C(=O)c2cccc(NC(=O)c3cccs3)c2)s1 O=C(N[*:1])c1cccs1 CCc1ncc(CN(C)C(=O)c2cccc(c2)[*:1])s1
CCc1ncc(CN(C)C(=O)c2cccc(NC(=O)c3cccs3)c2)s1 CCc1ncc(s1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)NC(=O)c1cccs1
CCc1ncc(CN(C)C(=O)c2cccc(NC(=O)c3cccs3)c2)s1 CCc1ncc(C[*:1])s1 CN(C(=O)c1cccc(c1)NC(=O)c1cccs1)[*:1]
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[C@@H]1CCCNC1=O c1ccc(cc1)[*:1] O=C(CS[C@H](c1ccc(Cl)cc1)[*:1])N[C@@H]1CCCNC1=O
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[C@@H]1CCCNC1=O O=C1NCCC[C@H]1[*:1] O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[*:1]
O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[C@@H]1CCCNC1=O Clc1ccc(cc1)[*:1] O=C(CS[C@H](c1ccccc1)[*:1])N[C@@H]1CCCNC1=O
Cc1c(C(=O)NCC[NH+]2CCCCC2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NCC[NH+]1CCCCC1
O=C(N/N=C/c1cccs1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 O=[N+]([O-])[*:1] O=C(N/N=C/c1cccs1)c1cc(n[nH]1)-c1cccc(c1)[*:1]
O=C(N/N=C/c1cccs1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 c1csc(c1)[*:1] O=C(NN=C[*:1])c1cc(n[nH]1)-c1cccc(c1)[N+](=O)[O-]
Cc1cc(C)n(C[C@@H](C)CNC(=O)C(=O)Nc2nnc(C(F)(F)F)s2)n1 Cc1cc(C)n(C[*:1])n1 C[C@@H](CNC(=O)C(=O)Nc1nnc(s1)C(F)(F)F)[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)C(=O)Nc2nnc(C(F)(F)F)s2)n1 FC(F)(F)[*:1] Cc1cc(C)n(C[C@@H](C)CNC(=O)C(=O)Nc2nnc(s2)[*:1])n1
Cc1cc(C)n(C[C@@H](C)CNC(=O)C(=O)Nc2nnc(C(F)(F)F)s2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](CNC(=O)C(=O)Nc1nnc(s1)C(F)(F)F)C[*:1]
CCOC(=O)[C@@]1(CC)O[C@@]1(CC)C(C)C CCOC(=O)[*:1] CC[C@]1(O[C@@]1(CC)[*:1])C(C)C
CCOC(=O)[C@@]1(CC)O[C@@]1(CC)C(C)C CC(C)[*:1] CCOC(=O)[C@@]1(CC)O[C@]1(CC)[*:1]
Cc1cc(C(=O)N[C@@H]2CCc3c(F)cccc32)no1 Cc1cc(no1)[*:1] O=C(N[C@@H]1CCc2c(F)cccc21)[*:1]
C[C@H](c1nccn1C)S(N)(=O)=O NS(=O)(=O)[*:1] C[C@H](c1nccn1C)[*:1]
CCC[C@@H](O)c1ccn(Cc2cncn2C(C)C)c1 CC(C)[*:1] CCC[C@@H](O)c1ccn(c1)Cc1cncn1[*:1]
CCC[C@@H](O)c1ccn(Cc2cncn2C(C)C)c1 CCC[*:1] CC(C)n1cncc1Cn1ccc(c1)[C@H](O)[*:1]
CCC[C@@H](O)c1ccn(Cc2cncn2C(C)C)c1 CCC[C@@H](O)[*:1] CC(C)n1cncc1Cn1ccc(c1)[*:1]
C[C@H](NC(=O)C(C)(C)C)c1nc(CC(=O)Nc2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C(C)(C)C)c1nc(CC(=O)N[*:1])no1
C[C@H](NC(=O)C(C)(C)C)c1nc(CC(=O)Nc2ccccc2)no1 CC(C)(C)[*:1] C[C@H](NC(=O)[*:1])c1nc(CC(=O)Nc2ccccc2)no1
C[C@H](NC(=O)C(C)(C)C)c1nc(CC(=O)Nc2ccccc2)no1 CC(C)(C)C(=O)N[*:1] C[C@H](c1nc(CC(=O)Nc2ccccc2)no1)[*:1]
C=C(C)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2 C=C(C)[*:1] Cc1nc(OC[*:1])c(C#N)c2CC(C)(C)OCc12
C=C(C)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2 C=C(C)C[*:1] Cc1nc(O[*:1])c(C#N)c2CC(C)(C)OCc12
C=C(C)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2 C=C(C)CO[*:1] Cc1nc(c(C#N)c2CC(C)(C)OCc12)[*:1]
O=C(COc1ccccc1C(=O)NC[C@H]1CCCO1)Nc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(COc1ccccc1C(=O)NC[C@H]1CCCO1)N[*:1]
C[C@@H](NC(=O)NCc1ccccc1Cl)c1cccc(Br)c1 Clc1ccccc1[*:1] C[C@@H](NC(=O)NC[*:1])c1cccc(Br)c1
C[C@@H](NC(=O)NCc1ccccc1Cl)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@@H](NC(=O)NCc1ccccc1Cl)[*:1]
Cc1ccc(CNC(=O)CCNS(C)(=O)=O)cc1F CS(=O)(=O)N[*:1] Cc1ccc(cc1F)CNC(=O)CC[*:1]
Cc1ccc(CNC(=O)CCNS(C)(=O)=O)cc1F CS(=O)(=O)NC[*:1] Cc1ccc(cc1F)CNC(=O)C[*:1]
C[C@@H]([NH2+]CCCNC(=O)C1CCC1)C1CCCC1 C1CCC(C1)[*:1] C[C@@H]([NH2+]CCCNC(=O)C1CCC1)[*:1]
C[C@@H]([NH2+]CCCNC(=O)C1CCC1)C1CCCC1 C1CC(C1)[*:1] C[C@@H]([NH2+]CCCNC(=O)[*:1])C1CCCC1
O=C(/C=C/c1cccs1)Nc1cc([N+](=O)[O-])ccc1Cl c1csc(c1)[*:1] O=C(C=C[*:1])Nc1cc(ccc1Cl)[N+](=O)[O-]
O=C(/C=C/c1cccs1)Nc1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(/C=C/c1cccs1)Nc1cc(ccc1Cl)[*:1]
O=C(Cn1c(-c2ccccc2)noc1=O)NC1CC[NH+](C2CC2)CC1 c1ccc(cc1)[*:1] O=C(Cn1c(noc1=O)[*:1])NC1CC[NH+](CC1)C1CC1
O=C(Cn1c(-c2ccccc2)noc1=O)NC1CC[NH+](C2CC2)CC1 C1CC1[*:1] O=C(Cn1c(noc1=O)-c1ccccc1)NC1CC[NH+](CC1)[*:1]
C[C@@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)[*:1]
Nc1ncccc1OC(F)(F)F FC(F)(F)[*:1] Nc1ncccc1O[*:1]
O=S(=O)(NCC(O)(c1cccs1)c1cccs1)c1cc(Cl)ccc1Cl c1csc(c1)[*:1] O=S(=O)(NCC(O)(c1cccs1)[*:1])c1cc(Cl)ccc1Cl
O=S(=O)(NCC(O)(c1cccs1)c1cccs1)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=S(=O)(NCC(O)(c1cccs1)c1cccs1)[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[C@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)C[C@H](O)[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[C@H](O)c2ccccc2)c1 O[C@H](c1ccccc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)C[*:1]
CCCN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O CCC[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N(CC2CC2)[*:1])C1=O
CCCN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O Cc1ccc(cc1)[*:1] CCCN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CCCN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O C1CC1C[*:1] CCCN(C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(C)cc1)[*:1]
CCCN(CC1CC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O C1CC1[*:1] CCCN(C[*:1])C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(C)cc1
Cc1nc2cc(C(=O)[O-])ccc2n1C[C@@H](C)O C[C@@H](O)[*:1] Cc1nc2cc(ccc2n1C[*:1])C(=O)[O-]
Cc1nc2cc(C(=O)[O-])ccc2n1C[C@@H](C)O C[C@@H](O)C[*:1] Cc1nc2cc(ccc2n1[*:1])C(=O)[O-]
Cc1nc2cc(C(=O)[O-])ccc2n1C[C@@H](C)O O=C([O-])[*:1] Cc1nc2cc(ccc2n1C[C@@H](C)O)[*:1]
O=C(NCC[C@@H]1C=c2ccc(F)cc2=[NH+]C1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(NCC[C@@H]1C=c2ccc(F)cc2=[NH+]C1=O)c1ccc(cc1)[*:1]
CCc1ccc(N2C[C@H](C(=O)N[C@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2=O)cc1 CCc1ccc(cc1)[*:1] CC1(C)[C@@H](NC(=O)[C@@H]2CC(=O)N(C2)[*:1])[C@@H]2CCO[C@@H]21
COC(=O)CC1CCN(c2ncnc3sc(C)cc23)CC1 COC(=O)[*:1] Cc1cc2c(ncnc2s1)N1CCC(CC1)C[*:1]
COC(=O)CC1CCN(c2ncnc3sc(C)cc23)CC1 COC(=O)C[*:1] Cc1cc2c(ncnc2s1)N1CCC(CC1)[*:1]
CCCOc1ccccc1NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 CCCO[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)Nc1ccccc1[*:1]
CCCOc1ccccc1NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 CCC[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)Nc1ccccc1O[*:1]
CCCOc1ccccc1NC(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCCOc1ccccc1NC(=O)Nc1ccc(C)c(c1)[*:1]
O=C(COc1ccc2ccccc2c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc2cc(ccc2c1)[*:1] O=C(CO[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
O=C(COc1ccc2ccccc2c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(COc1ccc2ccccc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(COc1ccc2ccccc2c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccc2ccccc2c1)N1CCN(CC1)S(=O)(=O)C[*:1]
CN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CN(C(=O)CSc1nc(C2CC2)n(n1)[*:1])[C@H]1CCS(=O)(=O)C1
CN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] CN(C(=O)CSc1nc(n(n1)-c1ccccc1)[*:1])[C@H]1CCS(=O)(=O)C1
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCOCC4)cc3N2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H]1C[C@@H](n2nc(cc2N1)C(=O)N1CCOCC1)[*:1]
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCOCC4)cc3N2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)F)[*:1])N1CCOCC1
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCOCC4)cc3N2)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)[C@@H]1C[C@H](n2nc(cc2N1)[*:1])C(F)(F)F
COCC[C@@]1(C)CC(=O)NC(=O)[C@H]1c1ccccc1 COC[*:1] C[C@@]1(CC(=O)NC(=O)[C@H]1c1ccccc1)C[*:1]
COCC[C@@]1(C)CC(=O)NC(=O)[C@H]1c1ccccc1 COCC[*:1] C[C@]1(CC(=O)NC(=O)[C@H]1c1ccccc1)[*:1]
COCC[C@@]1(C)CC(=O)NC(=O)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COCC[C@@]1(C)CC(=O)NC(=O)[C@@H]1[*:1]
CN(C)c1ccc(/C=N/NC(=O)[C@H]2CCCO2)c(Cl)c1 CN(C)[*:1] O=C(N/N=C/c1ccc(cc1Cl)[*:1])[C@H]1CCCO1
CN(C)c1ccc(/C=N/NC(=O)[C@H]2CCCO2)c(Cl)c1 C1CO[C@H](C1)[*:1] CN(C)c1ccc(/C=N/NC(=O)[*:1])c(Cl)c1
CCOc1ccc(C(=O)Nc2sccc2C(=O)NC2CC2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1sccc1C(=O)NC1CC1
CCOc1ccc(C(=O)Nc2sccc2C(=O)NC2CC2)cc1OC C1CC1[*:1] CCOc1ccc(cc1OC)C(=O)Nc1sccc1C(=O)N[*:1]
CCOc1ccc(C(=O)Nc2sccc2C(=O)NC2CC2)cc1OC O=C(NC1CC1)[*:1] CCOc1ccc(cc1OC)C(=O)Nc1sccc1[*:1]
CCC(C)(C)[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+]2CCCCCCC2)C1 CCC(C)(C)[*:1] [NH3+]C[C@H]1CC[C@H](C[C@H]1[NH+]1CCCCCCC1)[*:1]
COC[C@@H]1OC[C@@]2(C)[C@H]3CC[C@@H](O)[C@@H](CC(=O)NCc4ccc5c(c4)OCO5)[C@]3(C)CC[C@H]2O1 COC[*:1] C[C@@]12CC[C@H]3O[C@@H](OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NCc1ccc2OCOc2c1)[*:1]
COC[C@@H]1OC[C@@]2(C)[C@H]3CC[C@@H](O)[C@@H](CC(=O)NCc4ccc5c(c4)OCO5)[C@]3(C)CC[C@H]2O1 c1cc2OCOc2cc1[*:1] COC[C@@H]1OC[C@@]2(C)[C@H]3CC[C@@H](O)[C@@H](CC(=O)NC[*:1])[C@]3(C)CC[C@H]2O1
COC[C@@H]1OC[C@@]2(C)[C@H]3CC[C@@H](O)[C@@H](CC(=O)NCc4ccc5c(c4)OCO5)[C@]3(C)CC[C@H]2O1 c1cc2OCOc2cc1C[*:1] COC[C@@H]1OC[C@@]2(C)[C@H]3CC[C@@H](O)[C@@H](CC(=O)N[*:1])[C@]3(C)CC[C@H]2O1
Cc1c(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)oc2c1C(=O)CCC2 C1CO[C@H](C1)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)Nc1cnn(c1)C[*:1]
Cc1c(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)oc2c1C(=O)CCC2 C1CO[C@H](C1)C[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)Nc1cnn(c1)[*:1]
N#Cc1ccc(C(F)(F)F)cc1O FC(F)(F)[*:1] N#Cc1ccc(cc1O)[*:1]
CCN(CC(C)(C)O)C(=O)Cc1ccc(NC(C)=O)cc1 CC(C)(O)C[*:1] CCN(C(=O)Cc1ccc(cc1)NC(C)=O)[*:1]
CCN(CC(C)(C)O)C(=O)Cc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCN(CC(C)(C)O)C(=O)Cc1ccc(cc1)[*:1]
CCN(CC(C)(C)O)C(=O)Cc1ccc(NC(C)=O)cc1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)Cc1ccc(cc1)NC(C)=O
CC(C)(C(=O)N1CCN2C(=O)NC[C@@H]2C1)/C(N)=N/O N/C(=N\O)[*:1] CC(C)(C(=O)N1CCN2C(=O)NC[C@@H]2C1)[*:1]
CCC[NH+]1CCN(C(=O)C[NH+]2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)CC1 CCC[*:1] Cc1ccc(cc1C)-n1cc(cn1)C1=CC[NH+](CC1)CC(=O)N1CC[NH+](CC1)[*:1]
CCC[NH+]1CCN(C(=O)C[NH+]2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)CC1 Cc1ccc(cc1C)[*:1] CCC[NH+]1CCN(CC1)C(=O)C[NH+]1CC=C(CC1)c1cnn(c1)[*:1]
Cn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3ccc(OC(F)F)cc3)c2n1 FC(F)[*:1] Cn1cc2c(cc(=O)n(CCC(=O)Nc3ccc(cc3)OC(F)F)c2n1)[*:1]
Cn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3ccc(OC(F)F)cc3)c2n1 FC(F)O[*:1] Cn1cc2c(cc(=O)n(CCC(=O)Nc3ccc(cc3)[*:1])c2n1)C(F)F
Cn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3ccc(OC(F)F)cc3)c2n1 FC(F)[*:1] Cn1cc2c(cc(=O)n(CCC(=O)Nc3ccc(cc3)O[*:1])c2n1)C(F)F
C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 Clc1cccc(c1)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 Clc1cccc(c1)C[*:1] C[C@@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[*:1]
Fc1ccccc1-c1cnnc(NCCc2cscn2)n1 Fc1ccccc1[*:1] c1nc(cs1)CCNc1nncc(n1)[*:1]
Fc1ccccc1-c1cnnc(NCCc2cscn2)n1 c1nc(cs1)C[*:1] Fc1ccccc1-c1cnnc(n1)NC[*:1]
Fc1ccccc1-c1cnnc(NCCc2cscn2)n1 c1nc(cs1)CC[*:1] Fc1ccccc1-c1cnnc(n1)N[*:1]
Fc1ccccc1-c1cnnc(NCCc2cscn2)n1 c1nc(cs1)[*:1] Fc1ccccc1-c1cnnc(n1)NCC[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])C(=O)NC(=S)Nc1c(C)cc(Br)cc1C
CCOc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] Cc1cc(Br)cc(C)c1[*:1] CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)N[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] CCO[*:1] Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C NS(=O)(=O)[*:1] COc1ccc(cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[*:1]
COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C Clc1ccccc1[*:1] COc1ccc(cc1C(=O)NC[C@H]([NH+](C)C)[*:1])S(N)(=O)=O
Nc1nc(CSc2ccc(F)cc2F)nc2sc3c(c12)CCCC3 Fc1ccc(c(F)c1)[*:1] Nc1nc(CS[*:1])nc2sc3CCCCc3c12
CSc1ccc(NC(=O)N(C)CC2CC2)cc1 C1CC1C[*:1] CSc1ccc(cc1)NC(=O)N(C)[*:1]
CSc1ccc(NC(=O)N(C)CC2CC2)cc1 C1CC1[*:1] CSc1ccc(cc1)NC(=O)N(C)C[*:1]
CCn1cc(C(=O)Nc2cccnc2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 c1cncc(c1)[*:1] CCn1cc(C(=O)N[*:1])c(=O)c2cc(F)c(cc21)N1CCN(CC1)C(C)=O
CCn1cc(C(=O)Nc2cccnc2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 CC(=O)N1CCN(CC1)[*:1] CCn1cc(C(=O)Nc2cccnc2)c(=O)c2cc(F)c(cc21)[*:1]
CCn1cc(C(=O)Nc2cccnc2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 O=C(Nc1cccnc1)[*:1] CCn1cc(c(=O)c2cc(F)c(cc21)N1CCN(CC1)C(C)=O)[*:1]
CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)[C@H](C1)[*:1]
CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)[C@H](C(=O)[O-])C1 CC(C)(C)[*:1] O=C([O-])[C@@H]1CN(CCN1c1nc2ccccc2s1)C(=O)O[*:1]
O=C(COC(=O)c1ccc(O)cc1)Nc1cc([N+](=O)[O-])ccc1Cl Oc1ccc(cc1)[*:1] O=C(COC(=O)[*:1])Nc1cc(ccc1Cl)[N+](=O)[O-]
O=C(COC(=O)c1ccc(O)cc1)Nc1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(COC(=O)c1ccc(O)cc1)Nc1cc(ccc1Cl)[*:1]
CCn1ccc(C(=O)N2CCO[C@](C)(C(=O)N3CCOCC3)C2)n1 CCn1ccc(n1)[*:1] C[C@]1(CN(CCO1)C(=O)[*:1])C(=O)N1CCOCC1
CCn1ccc(C(=O)N2CCO[C@](C)(C(=O)N3CCOCC3)C2)n1 O=C(N1CCOCC1)[*:1] CCn1ccc(n1)C(=O)N1CCO[C@](C)(C1)[*:1]
CCN(Cc1ccccn1)C(=O)Nc1cc(F)ccc1N1CCCCC1 C1CCN(CC1)[*:1] CCN(Cc1ccccn1)C(=O)Nc1cc(F)ccc1[*:1]
CCN(Cc1ccccn1)C(=O)Nc1cc(F)ccc1N1CCCCC1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)Nc1cc(F)ccc1N1CCCCC1
CCN(Cc1ccccn1)C(=O)Nc1cc(F)ccc1N1CCCCC1 c1ccc(C[*:1])nc1 CCN(C(=O)Nc1cc(F)ccc1N1CCCCC1)[*:1]
O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])N(C1CC1)[C@H]1CCS(=O)(=O)C1
O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccccc1F)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCOC(=O)c1sc2nc(C)nc(N3C[C@H](C)O[C@H](C)C3)c2c1C CCOC(=O)[*:1] Cc1nc(c2c(C)c(sc2n1)[*:1])N1C[C@H](C)O[C@H](C)C1
C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 C=CC[*:1] COc1cc(cc(OC)c1OC)[C@@H]1c2c(oc3c(C)cc(C)cc3c2=O)C(=O)N1[*:1]
C[C@@H](c1cccnc1)N(C)c1nccc(C(F)(F)F)n1 FC(F)(F)[*:1] C[C@@H](c1cccnc1)N(C)c1nccc(n1)[*:1]
C[C@@H](c1cccnc1)N(C)c1nccc(C(F)(F)F)n1 c1cncc(c1)[*:1] C[C@@H](N(C)c1nccc(n1)C(F)(F)F)[*:1]
CCc1cc(N2CCC(CC(=O)NC)CC2)n2nc(C)c(C)c2n1 CNC(=O)[*:1] CCc1cc(N2CCC(CC2)C[*:1])n2nc(C)c(C)c2n1
CCc1cc(N2CCC(CC(=O)NC)CC2)n2nc(C)c(C)c2n1 CNC(=O)C[*:1] CCc1cc(N2CCC(CC2)[*:1])n2nc(C)c(C)c2n1
Cc1cccc(OC[C@H](C)NC(=O)NC(C)(C)c2ncc(C)s2)c1 Cc1cnc(s1)[*:1] Cc1cccc(c1)OC[C@H](C)NC(=O)NC(C)(C)[*:1]
Cc1cccc(OC[C@H](C)NC(=O)NC(C)(C)c2ncc(C)s2)c1 Cc1cccc(c1)O[*:1] Cc1cnc(s1)C(C)(C)NC(=O)N[C@@H](C)C[*:1]
Cc1cccc(OC[C@H](C)NC(=O)NC(C)(C)c2ncc(C)s2)c1 Cc1cccc(c1)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)N[C@@H](C)CO[*:1]
Oc1c(O)/c(=N\Cc2cccnc2)c1=[N+]1CCN(c2ccccn2)CC1 c1cncc(c1)C[*:1] Oc1c(O)c(=N[*:1])c1=[N+]1CCN(CC1)c1ccccn1
Oc1c(O)/c(=N\Cc2cccnc2)c1=[N+]1CCN(c2ccccn2)CC1 c1cncc(c1)[*:1] Oc1c(O)/c(=N\C[*:1])c1=[N+]1CCN(CC1)c1ccccn1
Oc1c(O)/c(=N\Cc2cccnc2)c1=[N+]1CCN(c2ccccn2)CC1 c1ccc(nc1)[*:1] Oc1c(O)/c(=N\Cc2cccnc2)c1=[N+]1CCN(CC1)[*:1]
CCOc1cccc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1 CCO[*:1] CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
CCOc1cccc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1 CCOc1cccc(c1)[*:1] CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](CC1)C[*:1]
CCOc1cccc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1 CC(C)(C)C(=O)N[*:1] CCOc1cccc(c1)C[NH+]1CCC(CC1)n1nccc1[*:1]
CCOc1cccc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1 CC(C)(C)[*:1] CCOc1cccc(c1)C[NH+]1CCC(CC1)n1nccc1NC(=O)[*:1]
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]([C@H](C)O)C1 COC(=O)[*:1] C[C@H](O)[C@@H]1CCCN(C1)[C@@H](c1ccc(C#N)cc1)[*:1]
COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]([C@H](C)O)C1 C[C@H](O)[*:1] COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](C1)[*:1]
CNC(=O)c1ccc(NC(=O)NCCC[C@@H]2CCCC[C@H]2O)c(Cl)c1 CNC(=O)[*:1] O=C(NCCC[C@@H]1CCCC[C@H]1O)Nc1ccc(cc1Cl)[*:1]
CCN(CC(=O)NC(C)C)Cc1ccc([N+](=O)[O-])c(N)c1 CC(C)NC(=O)[*:1] CCN(Cc1ccc(c(N)c1)[N+](=O)[O-])C[*:1]
CCN(CC(=O)NC(C)C)Cc1ccc([N+](=O)[O-])c(N)c1 CC(C)NC(=O)C[*:1] CCN(Cc1ccc(c(N)c1)[N+](=O)[O-])[*:1]
CCN(CC(=O)NC(C)C)Cc1ccc([N+](=O)[O-])c(N)c1 O=[N+]([O-])[*:1] CCN(CC(=O)NC(C)C)Cc1ccc(c(N)c1)[*:1]
CCN(CC(=O)NC(C)C)Cc1ccc([N+](=O)[O-])c(N)c1 CC(C)[*:1] CCN(CC(=O)N[*:1])Cc1ccc(c(N)c1)[N+](=O)[O-]
O=C(Nc1cccc(NC(=O)N2CCc3cc(F)ccc3C2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])N1CCc2cc(F)ccc2C1
O=C(Nc1cccc(NC(=O)N2CCc3cc(F)ccc3C2)c1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(Nc1cccc(c1)[*:1])N1CCc2cc(F)ccc2C1
N#Cc1c(NCc2ccncc2)nc(-c2ccccc2)c2c1CCCC2 c1cc(ccn1)[*:1] N#Cc1c(nc(-c2ccccc2)c2CCCCc12)NC[*:1]
N#Cc1c(NCc2ccncc2)nc(-c2ccccc2)c2c1CCCC2 c1cc(ccn1)C[*:1] N#Cc1c(nc(-c2ccccc2)c2CCCCc12)N[*:1]
N#Cc1c(NCc2ccncc2)nc(-c2ccccc2)c2c1CCCC2 c1ccc(cc1)[*:1] N#Cc1c(nc(c2CCCCc12)[*:1])NCc1ccncc1
N#Cc1c(NCc2ccncc2)nc(-c2ccccc2)c2c1CCCC2 c1cc(ccn1)CN[*:1] N#Cc1c(nc(-c2ccccc2)c2CCCCc12)[*:1]
COc1ccc(-c2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1OC CC(=O)NC[*:1] COc1ccc(cc1OC)-c1nc(cs1)-c1ccc(o1)[*:1]
COc1ccc(-c2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1OC CC(=O)N[*:1] COc1ccc(cc1OC)-c1nc(cs1)-c1ccc(C[*:1])o1
CC[C@@](C)(C(=O)Cc1nccs1)[NH+](C)C c1csc(n1)[*:1] CC[C@@](C)(C(=O)C[*:1])[NH+](C)C
CCOC(=O)c1c([O-])n2c3c(cccc3c1=O)CC2 CCOC(=O)[*:1] O=c1c(c([O-])n2CCc3cccc1c32)[*:1]
Cc1ccc(C[NH2+]Cc2ccco2)c(F)c1 c1coc(c1)[*:1] Cc1ccc(C[NH2+]C[*:1])c(F)c1
CCC[C@H](C(=O)N1CCN([C@H](C)C(N)=O)CC1)[NH+](C)C NC(=O)[*:1] CCC[C@H](C(=O)N1CCN(CC1)[C@H](C)[*:1])[NH+](C)C
CCC[C@H](C(=O)N1CCN([C@H](C)C(N)=O)CC1)[NH+](C)C C[C@H](C(N)=O)[*:1] CCC[C@H](C(=O)N1CCN(CC1)[*:1])[NH+](C)C
CCC[C@H](C(=O)N1CCN([C@H](C)C(N)=O)CC1)[NH+](C)C CCC[*:1] C[C@H](C(N)=O)N1CCN(CC1)C(=O)[C@H]([NH+](C)C)[*:1]
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)N1CCCC1 CCOC(=O)[*:1] Cc1[nH]c(C)c(c1S(=O)(=O)NCC(=O)N1CCCC1)[*:1]
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NC[*:1]
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N[*:1]
CCn1c(CCNC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)n[nH]c1=S CC(C)c1ccc(cc1)[*:1] CCn1c(CCNC(=O)C2(CCCC2)[*:1])n[nH]c1=S
CCn1c(CCNC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)n[nH]c1=S CCn1c(C[*:1])n[nH]c1=S CC(C)c1ccc(cc1)C1(CCCC1)C(=O)NC[*:1]
CCn1c(CCNC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)n[nH]c1=S CCn1c(n[nH]c1=S)[*:1] CC(C)c1ccc(cc1)C1(CCCC1)C(=O)NCC[*:1]
CCn1c(CCNC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)n[nH]c1=S CC(C)[*:1] CCn1c(CCNC(=O)C2(CCCC2)c2ccc(cc2)[*:1])n[nH]c1=S
COC(=O)[C@@H](NC(=O)c1sc2nc(C)nc(C)c2c1C)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](NC(=O)c1sc2nc(C)nc(C)c2c1C)[*:1]
COC(=O)[C@@H](NC(=O)c1sc2nc(C)nc(C)c2c1C)c1ccccc1 COC(=O)[*:1] Cc1nc(C)c2c(C)c(sc2n1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1cccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)c(=O)[nH]c12 c1ccc(cc1)[*:1] Cc1cccc2cc(CN(C(=O)c3ccc(cc3)[N+](=O)[O-])[*:1])c(=O)[nH]c12
Cc1cccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)c(=O)[nH]c12 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cccc2cc(CN(C(=O)[*:1])c3ccccc3)c(=O)[nH]c12
Cc1cccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)c(=O)[nH]c12 O=[N+]([O-])[*:1] Cc1cccc2cc(CN(C(=O)c3ccc(cc3)[*:1])c3ccccc3)c(=O)[nH]c12
Cc1cccc(-c2ncc(C(=O)NC(C)C)c(N(C)c3ccccc3)n2)c1 CC(C)[*:1] Cc1cccc(c1)-c1ncc(C(=O)N[*:1])c(n1)N(C)c1ccccc1
Cc1cccc(-c2ncc(C(=O)NC(C)C)c(N(C)c3ccccc3)n2)c1 CN(c1ccccc1)[*:1] Cc1cccc(c1)-c1ncc(C(=O)NC(C)C)c(n1)[*:1]
Cc1cccc(-c2ncc(C(=O)NC(C)C)c(N(C)c3ccccc3)n2)c1 Cc1cccc(c1)[*:1] CC(C)NC(=O)c1cnc(nc1N(C)c1ccccc1)[*:1]
Cc1cccc(-c2ncc(C(=O)NC(C)C)c(N(C)c3ccccc3)n2)c1 CC(C)NC(=O)[*:1] Cc1cccc(c1)-c1ncc(c(n1)N(C)c1ccccc1)[*:1]
Cc1cccc(-c2ncc(C(=O)NC(C)C)c(N(C)c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1ncc(C(=O)NC(C)C)c(n1)N(C)[*:1]
O[C@@H]1CCCC[C@@H](Cc2nc(-c3ccccc3)cs2)C1 c1ccc(cc1)[*:1] O[C@@H]1CCCC[C@@H](Cc2nc(cs2)[*:1])C1
CC[C@H](C)[C@H](C(=O)Nc1ccc(-c2nncn2C)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](C(=O)Nc1ccc(cc1)-c1nncn1C)[*:1]
CC[C@H](C)[C@H](C(=O)Nc1ccc(-c2nncn2C)cc1)c1ccccc1 CC[C@H](C)[*:1] Cn1cnnc1-c1ccc(cc1)NC(=O)[C@H](c1ccccc1)[*:1]
CC[C@H](C)[C@H](C(=O)Nc1ccc(-c2nncn2C)cc1)c1ccccc1 Cn1cnnc1[*:1] CC[C@H](C)[C@H](C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1C NC(=O)N[*:1] C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[*:1]
COCC[NH+]1CCC(CNS(=O)(=O)c2c(C)noc2C)CC1 COC[*:1] Cc1noc(C)c1S(=O)(=O)NCC1CC[NH+](CC1)C[*:1]
COCC[NH+]1CCC(CNS(=O)(=O)c2c(C)noc2C)CC1 COCC[*:1] Cc1noc(C)c1S(=O)(=O)NCC1CC[NH+](CC1)[*:1]
COCC[NH+]1CCC(CNS(=O)(=O)c2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] COCC[NH+]1CCC(CC1)CNS(=O)(=O)[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 COc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ccccc1NC(=O)N1CCC[C@@H]1[*:1]
C=CCOC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1 c1coc(c1)[*:1] C=CCOC(=O)C(=C[*:1])NC(=O)c1ccc(Br)cc1
C=CCOC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1 C=CCOC(=O)[*:1] O=C(N/C(=C/c1ccco1)[*:1])c1ccc(Br)cc1
C=CCOC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C=CCOC(=O)/C(=C\c1ccco1)NC(=O)[*:1]
C=CCOC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1 C=CC[*:1] O=C(O[*:1])/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1
CN[C@]1(C#N)CCC[C@@H]1CCOC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CN[C@]1(C#N)CCC[C@@H]1CCOC[*:1]
CN[C@]1(C#N)CCC[C@@H]1CCOC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CN[C@]1(C#N)CCC[C@@H]1CCO[*:1]
O=C([O-])C1CCN(S(=O)(=O)C2CC2)CC1 O=C([O-])[*:1] O=S(=O)(C1CC1)N1CCC(CC1)[*:1]
O=C([O-])C1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] O=C([O-])C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC(C)[C@H](Sc1ccc(cn1)C(F)(F)F)C(=O)N[*:1]
CC(C)[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NC[C@@H]1CCCO1 CC(C)[*:1] O=C(NC[C@@H]1CCCO1)[C@@H](Sc1ccc(cn1)C(F)(F)F)[*:1]
CC(C)[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NC[C@@H]1CCCO1 FC(F)(F)[*:1] CC(C)[C@H](Sc1ccc(cn1)[*:1])C(=O)NC[C@@H]1CCCO1
CC(C)[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(C)[C@H](Sc1ccc(cn1)C(F)(F)F)C(=O)NC[*:1]
O=C(Cn1ncc2c1-c1ccccc1OC2)NC1CC1 C1CC1[*:1] O=C(Cn1ncc2COc3ccccc3-c21)N[*:1]
O=C(Cn1ncc2c1-c1ccccc1OC2)NC1CC1 O=C(NC1CC1)[*:1] c1ccc2c(c1)OCc1cnn(C[*:1])c1-2
COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccco2)nc2ccccc12)[NH+](C)C COc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)c1cc(nc2ccccc12)-c1ccco1)[*:1]
COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccco2)nc2ccccc12)[NH+](C)C c1coc(c1)[*:1] COc1ccccc1[C@@H](CNC(=O)c1cc(nc2ccccc12)[*:1])[NH+](C)C
CCn1nc(C)c2c(-c3ccccc3)cc(O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc21 c1ccc(cc1)[*:1] CCn1nc(C)c2c(cc(nc21)O[C@H](C)C(=O)Nc1ccc2OCCOc2c1)[*:1]
CCn1nc(C)c2c(-c3ccccc3)cc(O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc21 c1cc2OCCOc2cc1[*:1] CCn1nc(C)c2c(cc(nc21)O[C@H](C)C(=O)N[*:1])-c1ccccc1
C=CC1CCN(C(=O)Nc2ccn(-c3ncccc3Cl)n2)CC1 Clc1cccnc1[*:1] C=CC1CCN(CC1)C(=O)Nc1ccn(n1)[*:1]
CCOCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 CCO[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)SCC[*:1])N1CCOCC1
CCOCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 CCOCC[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)S[*:1])N1CCOCC1
CCOCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 CCOC[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)SC[*:1])N1CCOCC1
CCOCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 C1CN(CCO1)[*:1] CCOCCSc1ncnc2c1sc1nc(c3COC(C)(C)Cc3c12)[*:1]
CCOCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 CCOCCS[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)[*:1])N1CCOCC1
CCOc1cccc(CN2CC[NH2+]CC2)c1 CCO[*:1] c1cc(cc(c1)[*:1])CN1CC[NH2+]CC1
Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C)C(=O)[O-])c(C)c3cc2c1C O=C([O-])[*:1] Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C)[*:1])c(C)c3cc2c1C
CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)[*:1] CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1OC[*:1]
CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)CO[*:1] CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1[*:1]
CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)C[*:1] CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccccc1O[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(I)cn1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1ccc(I)cn1
O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(I)cn1 Ic1ccc(nc1)[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)N[*:1]
Cc1nc(-c2ccc(CCNC(=O)Cc3ccc(C)c(O)c3)cc2)cs1 Cc1ccc(cc1O)[*:1] Cc1nc(cs1)-c1ccc(cc1)CCNC(=O)C[*:1]
Cc1nc(-c2ccc(CCNC(=O)Cc3ccc(C)c(O)c3)cc2)cs1 Cc1nc(cs1)[*:1] Cc1ccc(cc1O)CC(=O)NCCc1ccc(cc1)[*:1]
COc1ncnc2c1CN(Cc1c[nH]nc1-c1ccccc1)CC2 c1ccc(cc1)[*:1] COc1ncnc2CCN(Cc3c[nH]nc3[*:1])Cc21
CC1CCN(c2ncnc(Nc3ccc(I)cc3)c2N)CC1 CC1CCN(CC1)[*:1] Nc1c(ncnc1[*:1])Nc1ccc(I)cc1
CC1CCN(c2ncnc(Nc3ccc(I)cc3)c2N)CC1 Ic1ccc(cc1)[*:1] CC1CCN(CC1)c1ncnc(N[*:1])c1N
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4nnco4)cc3)CC2)c(C)c1 c1nnc(o1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4nnco4)cc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(c1ccc(cc1)-c1nnco1)N1CCN(CC1)S(=O)(=O)[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2cccs2)cc1 c1csc(c1)C[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2cccs2)cc1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)NCCc1cccs1)[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2cccs2)cc1 c1csc(c1)[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)NCC[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2cccs2)cc1 c1csc(c1)CC[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CCOc1ccc(CN(C)C(=O)C[NH+]2CCNC(=O)CC2)cc1 CCO[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)C[NH+]1CCNC(=O)CC1
C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccncc2)CC1 O=C(N1CCOCC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)c1ccncc1)[*:1]
C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] C[C@@H](C(=O)N1CCOCC1)N1CCN(CC1)C(=O)[*:1]
CC[C@@H](C)C(=O)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] CC[C@@H](C)C(=O)C1(CCOCC1)[*:1]
CC[C@@H](C)C(=O)C1(c2ccccc2)CCOCC1 CC[C@@H](C)C(=O)[*:1] c1ccc(cc1)C1(CCOCC1)[*:1]
COC(=O)c1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)oc1C COC(=O)[*:1] Cc1oc(/C=C2\N=C(OC2=O)c2cccc(Cl)c2)cc1[*:1]
COC(=O)c1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)oc1C Clc1cccc(c1)[*:1] COC(=O)c1cc(/C=C2\N=C(OC2=O)[*:1])oc1C
COc1cccc(-c2c([C@H]3c4ccccc4C(=O)N3CC(=O)[O-])c3ccccc3n2C)c1 O=C([O-])[*:1] COc1cccc(c1)-c1c(c2ccccc2n1C)[C@H]1c2ccccc2C(=O)N1C[*:1]
COc1cccc(-c2c([C@H]3c4ccccc4C(=O)N3CC(=O)[O-])c3ccccc3n2C)c1 O=C([O-])C[*:1] COc1cccc(c1)-c1c(c2ccccc2n1C)[C@H]1c2ccccc2C(=O)N1[*:1]
COc1cccc(-c2c([C@H]3c4ccccc4C(=O)N3CC(=O)[O-])c3ccccc3n2C)c1 COc1cccc(c1)[*:1] Cn1c(c(c2ccccc21)[C@H]1c2ccccc2C(=O)N1CC(=O)[O-])[*:1]
COc1cccc(NC(=O)C(=O)NCc2cccc(Oc3ccccc3)c2)c1 COc1cccc(c1)[*:1] O=C(NCc1cccc(c1)Oc1ccccc1)C(=O)N[*:1]
COc1cccc(NC(=O)C(=O)NCc2cccc(Oc3ccccc3)c2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)C(=O)NCc1cccc(c1)O[*:1]
COc1cccc(NC(=O)C(=O)NCc2cccc(Oc3ccccc3)c2)c1 c1ccc(cc1)O[*:1] COc1cccc(c1)NC(=O)C(=O)NCc1cccc(c1)[*:1]
CCCCSc1nnc(NC(=O)c2cccc(Br)c2)s1 CCCC[*:1] O=C(Nc1nnc(S[*:1])s1)c1cccc(Br)c1
CCCCSc1nnc(NC(=O)c2cccc(Br)c2)s1 CCC[*:1] O=C(Nc1nnc(SC[*:1])s1)c1cccc(Br)c1
CCCCSc1nnc(NC(=O)c2cccc(Br)c2)s1 CCCCS[*:1] O=C(Nc1nnc(s1)[*:1])c1cccc(Br)c1
CC[C@H](C)NC(=O)[C@@H](C)Nc1cc(C)nc2ncnn12 CC[C@H](C)[*:1] Cc1cc(N[C@H](C)C(=O)N[*:1])n2ncnc2n1
O=C(Oc1ccc(N2CCOC2=O)cc1)c1ccccc1-n1cccn1 O=C1OCCN1[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccccc1-n1cccn1
O=C(Oc1ccc(N2CCOC2=O)cc1)c1ccccc1-n1cccn1 c1cnn(c1)[*:1] O=C(Oc1ccc(cc1)N1CCOC1=O)c1ccccc1[*:1]
COc1ccc([C@H](CNC(=O)C2CC2)N2CCOCC2)cc1 O=C(NC[*:1])C1CC1 COc1ccc(cc1)[C@H](N1CCOCC1)[*:1]
COc1ccc([C@H](CNC(=O)C2CC2)N2CCOCC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](CNC(=O)[*:1])N1CCOCC1
COc1ccc([C@H](CNC(=O)C2CC2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)C1CC1)[*:1]
COc1ccc([C@H](CNC(=O)C2CC2)N2CCOCC2)cc1 O=C(N[*:1])C1CC1 COc1ccc(cc1)[C@H](C[*:1])N1CCOCC1
Cc1ccc(C2(O)CCN(C(=O)Nc3ccc4c(c3)CC(=O)N4)CC2)nc1 Cc1ccc(nc1)[*:1] O=C1Cc2cc(ccc2N1)NC(=O)N1CCC(O)(CC1)[*:1]
COc1cccc(OC)c1C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 COc1cccc(OC)c1[*:1] O=C(N1CCN(CC1)Cc1csc(n1)-c1ccccc1)[*:1]
COc1cccc(OC)c1C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] COc1cccc(OC)c1C(=O)N1CCN(CC1)Cc1csc(n1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(c2ncccn2)CC1 Cc1noc(C)c1[*:1] O=S(=O)(N1CCN(CC1)c1ncccn1)[*:1]
CC(C)(C)NC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 CC(C)(C)[*:1] O=C(COC(=O)c1ccc(cc1)-c1ccc(O)cc1)N[*:1]
CC(C)(C)NC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] CC(C)(C)NC(=O)COC(=O)c1ccc(cc1)[*:1]
CC(C)(C)NC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 CC(C)(C)NC(=O)C[*:1] O=C(O[*:1])c1ccc(cc1)-c1ccc(O)cc1
CC(C)(C)NC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 CC(C)(C)NC(=O)[*:1] O=C(OC[*:1])c1ccc(cc1)-c1ccc(O)cc1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C3CC3)on2)n1 c1coc(c1)[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)c1cc(on1)C1CC1)[*:1]
CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C3CC3)on2)n1 C1CC1[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)c1cc(on1)[*:1])-c1ccco1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C3CC3)on2)n1 c1c(noc1C1CC1)[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)[*:1])-c1ccco1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C3CC3)on2)n1 CC(C)c1cc(=O)[nH]c(n1)[*:1] O=C(Nc1cc(nn1[*:1])-c1ccco1)c1cc(on1)C1CC1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C3CC3)on2)n1 CC(C)[*:1] O=C(Nc1cc(nn1-c1nc(cc(=O)[nH]1)[*:1])-c1ccco1)c1cc(on1)C1CC1
C[C@H](CC(=O)N[C@H](CO)c1ccccc1F)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N[C@H](CO)c1ccccc1F)[*:1]
C[C@H](CC(=O)N[C@H](CO)c1ccccc1F)c1ccccc1 Fc1ccccc1[*:1] C[C@H](CC(=O)N[C@H](CO)[*:1])c1ccccc1
Cc1ccc(N(C)C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)N(C)[*:1]
Cc1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c(c1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccncc2)cc1F c1cc(ccn1)[*:1] Cc1ccc(cc1F)NC(=O)C(=O)N[C@H](C)[*:1]
Cc1nnc(SCC(=O)N[C@@H](C)c2ccco2)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(SCC(=O)N[C@@H](C)c2ccco2)n1C[*:1]
Cc1nnc(SCC(=O)N[C@@H](C)c2ccco2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nnc(SCC(=O)N[C@@H](C)c2ccco2)n1[*:1]
Cc1nnc(SCC(=O)N[C@@H](C)c2ccco2)n1Cc1ccccc1 c1coc(c1)[*:1] Cc1nnc(SCC(=O)N[C@@H](C)[*:1])n1Cc1ccccc1
C[C@H]1C[C@H](C)CN(c2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)C1 c1coc(c1)[*:1] C[C@H]1C[C@H](C)CN(C1)c1ncc2C(=O)C[C@H](Cc2n1)[*:1]
C[C@H]1C[C@H](C)CN(c2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)C1 C[C@H]1C[C@H](C)CN(C1)[*:1] O=C1C[C@@H](Cc2nc(ncc21)[*:1])c1ccco1
CCOC(=O)CSc1nnc(NC(=O)c2ccccc2F)s1 CCOC(=O)[*:1] O=C(Nc1nnc(SC[*:1])s1)c1ccccc1F
CCOC(=O)CSc1nnc(NC(=O)c2ccccc2F)s1 Fc1ccccc1[*:1] CCOC(=O)CSc1nnc(NC(=O)[*:1])s1
CCOC(=O)CSc1nnc(NC(=O)c2ccccc2F)s1 CCOC(=O)C[*:1] O=C(Nc1nnc(S[*:1])s1)c1ccccc1F
CCOC(=O)CSc1nnc(NC(=O)c2ccccc2F)s1 CCOC(=O)CS[*:1] O=C(Nc1nnc(s1)[*:1])c1ccccc1F
C[C@H](Cc1ccccc1)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](C(=O)N1CCCN(CC1)C(=O)CCc1ccccc1)[*:1]
C[C@H](Cc1ccccc1)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](Cc1ccccc1)C(=O)N1CCCN(CC1)C(=O)C[*:1]
C[C@H](Cc1ccccc1)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](Cc1ccccc1)C(=O)N1CCCN(CC1)C(=O)CC[*:1]
C[C@H](Cc1ccccc1)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](C[*:1])C(=O)N1CCCN(CC1)C(=O)CCc1ccccc1
C[C@H](Cc1ccccc1)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] C[C@H](Cc1ccccc1)C(=O)N1CCCN(CC1)C(=O)[*:1]
COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(c1)[*:1]
O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1cccc(N2CCOC2=O)c1 Clc1cccc(c1)[*:1] O=C(NCC1(CCOCC1)[*:1])c1cccc(c1)N1CCOC1=O
O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] O=C(NCC1(CCOCC1)c1cccc(Cl)c1)c1cccc(c1)[*:1]
O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)N[*:1]
O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)NC1CCCCC1 Clc1ccccc1[*:1] O=C(NCCOc1ccc2nnc(n2n1)[*:1])NC1CCCCC1
Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)cc1C C1CC1[*:1] Cc1ccc(cc1C)[N-]S(=O)(=O)c1cc(sc1C)-c1noc(n1)[*:1]
Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)cc1C Cc1ccc(cc1C)[*:1] Cc1sc(cc1S(=O)(=O)[N-][*:1])-c1noc(n1)C1CC1
Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)sc2C)cc1C C1CC1c1nc(no1)[*:1] Cc1ccc(cc1C)[N-]S(=O)(=O)c1cc(sc1C)[*:1]
NC(=O)C1([NH2+]CC(=O)NCc2ccc(F)cc2)CCCCC1 Fc1ccc(cc1)[*:1] NC(=O)C1(CCCCC1)[NH2+]CC(=O)NC[*:1]
NC(=O)C1([NH2+]CC(=O)NCc2ccc(F)cc2)CCCCC1 NC(=O)[*:1] O=C(C[NH2+]C1(CCCCC1)[*:1])NCc1ccc(F)cc1
O=C=NC[C@H]1CN2CCC[C@@H]2CO1 O=C=N[*:1] C1C[C@@H]2CO[C@H](CN2C1)C[*:1]
O=C=NC[C@H]1CN2CCC[C@@H]2CO1 O=C=NC[*:1] C1C[C@@H]2CO[C@H](CN2C1)[*:1]
O=C(c1ccc(=O)[nH]c1)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 C1CC(CCO1)[*:1] O=C(c1ccc(=O)[nH]c1)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
O=C(c1ccc(=O)[nH]c1)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 O=c1ccc(c[nH]1)[*:1] O=C1N(CCC[C@@]12CCN(C2)C(=O)[*:1])C1CCOCC1
C/[NH+]=C(/NCc1cc(C)on1)NC[C@@]1(N2CCOCC2)CCSC1 Cc1cc(no1)[*:1] C/[NH+]=C(\NC[C@]1(CCSC1)N1CCOCC1)NC[*:1]
C/[NH+]=C(/NCc1cc(C)on1)NC[C@@]1(N2CCOCC2)CCSC1 Cc1cc(C[*:1])no1 C/[NH+]=C(\NC[C@]1(CCSC1)N1CCOCC1)N[*:1]
C/[NH+]=C(/NCc1cc(C)on1)NC[C@@]1(N2CCOCC2)CCSC1 C1CN(CCO1)[*:1] C/[NH+]=C(/NCc1cc(C)on1)NC[C@]1(CCSC1)[*:1]
Cc1ccc(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nn1 Fc1ccc(cc1Cl)[*:1] Cc1ccc(nn1)Nc1ccc(cc1)NC(=O)N[*:1]
Cc1ccc(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nn1 Cc1ccc(nn1)N[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1ccc(F)c(Cl)c1
Cc1ccc(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nn1 Cc1ccc(nn1)[*:1] O=C(Nc1ccc(cc1)N[*:1])Nc1ccc(F)c(Cl)c1
Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)[*:1]
Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
COc1cccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 O=[N+]([O-])[*:1] COc1cccc(c1)SCC(=O)Nc1cc(ccc1Cl)[*:1]
CC(=O)c1ccc(N[C@@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 CC(=O)[*:1] O[C@H]1O[C@@H](Nc2ccc(cc2)[*:1])[C@@H](O)[C@H](O)[C@@H]1O
C=CCN1C(=O)c2ccc(C(=O)NC(C)(C)C)cc2C1=O CC(C)(C)[*:1] C=CCN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
C=CCN1C(=O)c2ccc(C(=O)NC(C)(C)C)cc2C1=O C=CC[*:1] CC(C)(C)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
C=CCN1C(=O)c2ccc(C(=O)NC(C)(C)C)cc2C1=O CC(C)(C)NC(=O)[*:1] C=CCN1C(=O)c2ccc(cc2C1=O)[*:1]
CC/C(=C/C(=O)NCc1ncoc1C)c1ccc(OC)cc1 Cc1ocnc1C[*:1] CC/C(=C/C(=O)N[*:1])c1ccc(cc1)OC
CC/C(=C/C(=O)NCc1ncoc1C)c1ccc(OC)cc1 Cc1ocnc1[*:1] CC/C(=C/C(=O)NC[*:1])c1ccc(cc1)OC
NC(=O)c1ccc(C(=O)Nc2cccc(C3SCCCS3)c2)cc1 NC(=O)[*:1] O=C(Nc1cccc(c1)C1SCCCS1)c1ccc(cc1)[*:1]
NC(=O)c1ccc(C(=O)Nc2cccc(C3SCCCS3)c2)cc1 C1CSC(SC1)[*:1] NC(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
Cc1cccc2nc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)cn12 FC(F)(F)[*:1] Cc1cccc2nc(cn12)C(=O)O[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1ncn(C[C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c1C Cc1ncn(c1C)[*:1] C[C@H](C[*:1])[NH2+]CCc1ccc2OCOc2c1
C[C@@H](OCc1ccccc1)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 c1ccc(cc1)CO[*:1] C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)N(C)C1CCCCC1)[*:1]
C[C@@H](OCc1ccccc1)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 c1ccc(cc1)C[*:1] C[C@@H](O[*:1])C(=O)N1CCN(CC1)S(=O)(=O)N(C)C1CCCCC1
C[C@@H](OCc1ccccc1)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 C1CCC(CC1)[*:1] C[C@@H](OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)N(C)[*:1]
C[C@@H](OCc1ccccc1)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 c1ccc(cc1)[*:1] C[C@@H](OC[*:1])C(=O)N1CCN(CC1)S(=O)(=O)N(C)C1CCCCC1
Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1Br O=[N+]([O-])[*:1] Cc1cc(ccc1Br)OCC(=O)Nc1ccc(cc1C)[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc2OCCOc2c1
CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+][C@@H]1CCCn2nc(C(C)C)nc21 CC(C)[*:1] CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+][C@@H]1CCCn2nc(nc21)[*:1]
CCc1ncc(CN(C)C(=O)c2cnn3c(-c4ccccc4)ccnc23)s1 CCc1ncc(s1)[*:1] CN(C[*:1])C(=O)c1cnn2c(ccnc12)-c1ccccc1
CCc1ncc(CN(C)C(=O)c2cnn3c(-c4ccccc4)ccnc23)s1 CCc1ncc(C[*:1])s1 CN(C(=O)c1cnn2c(ccnc12)-c1ccccc1)[*:1]
CCc1ncc(CN(C)C(=O)c2cnn3c(-c4ccccc4)ccnc23)s1 c1ccc(cc1)[*:1] CCc1ncc(CN(C)C(=O)c2cnn3c(ccnc23)[*:1])s1
Cc1c(NC(=O)CSc2nnc(-c3cccnc3)n2C)cccc1[N+](=O)[O-] c1cncc(c1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)CSc1nnc(n1C)[*:1]
Cc1c(NC(=O)CSc2nnc(-c3cccnc3)n2C)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)CSc1nnc(-c2cccnc2)n1C
COc1ccc(CC(=O)N[C@@H](C)c2nc3ccccc3n2C)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)C[*:1])c1nc2ccccc2n1C
CCc1ccc(-c2nc(C)c(C(=O)OC[C@H]3CCC(=O)N3)s2)cc1 CCc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)OC[C@H]1CCC(=O)N1)[*:1]
O=C(NC1CCCCC1)c1cccc(-n2cccc2)c1 C1CCC(CC1)[*:1] O=C(N[*:1])c1cccc(c1)-n1cccc1
O=C(NC1CCCCC1)c1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] O=C(NC1CCCCC1)c1cccc(c1)[*:1]
C/[N+]([O-])=C\C1=C(O)CC(C)(C)CC1=O C[N+]([O-])=C[*:1] CC1(C)CC(=O)C(=C(O)C1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](CC1)C[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(Br)cc2)CC1 Clc1ccc(cc1)[*:1] O=S(=O)(N1CC[NH+](CC1)Cc1ccc(Br)cc1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(Br)cc2)CC1 Brc1ccc(cc1)C[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](CC1)[*:1]
C[C@@H]1CC(C(=O)NCC2(Sc3ccccc3)CCCC2)C[C@@H](C)O1 c1ccc(cc1)S[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCC1(CCCC1)[*:1]
C[C@@H]1CC(C(=O)NCC2(Sc3ccccc3)CCCC2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCC1(CCCC1)S[*:1]
O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCCCc1ccccc1 c1ccc(cc1)CCC[*:1] O=C(CN1CCN(CC1)C(=O)c1ccccc1)N[*:1]
O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)c1ccccc1)NCCC[*:1]
O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])NCCCc1ccccc1
O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CCN(CC1)C(=O)c1ccccc1)NCC[*:1]
O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(CN1CCN(CC1)C(=O)c1ccccc1)NC[*:1]
CCc1cnc(CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)s1 N#Cc1cnn(c1N)[*:1] CCc1cnc(CCNC(=O)c2ccc(cc2)[*:1])s1
CCc1cnc(CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)s1 CCc1cnc(s1)[*:1] N#Cc1cnn(-c2ccc(cc2)C(=O)NCC[*:1])c1N
CCc1cnc(CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)s1 CCc1cnc(C[*:1])s1 N#Cc1cnn(-c2ccc(cc2)C(=O)NC[*:1])c1N
O=C(OC1CCCC1)[C@@H]1SCCc2ccccc21 C1CCC(C1)[*:1] O=C(O[*:1])[C@@H]1SCCc2ccccc21
COc1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)csc2=S)cc1Cl Cc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1c(csc1=S)[*:1]
O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C(F)(F)F c1ccc(cc1)C[*:1] O=C([O-])[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)[*:1]
O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C(F)(F)F c1ccc(cc1)[*:1] O=C([O-])[C@@H](C[*:1])NS(=O)(=O)c1ccccc1C(F)(F)F
O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C(F)(F)F O=C([O-])[*:1] O=S(=O)(N[C@H](Cc1ccccc1)[*:1])c1ccccc1C(F)(F)F
O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[*:1]
Cc1cccc(NC(=O)CN(C)C(=O)Cc2cccs2)c1C c1csc(c1)[*:1] Cc1cccc(NC(=O)CN(C)C(=O)C[*:1])c1C
Cc1cccc(NC(=O)CN(C)C(=O)Cc2cccs2)c1C c1csc(c1)C[*:1] Cc1cccc(NC(=O)CN(C)C(=O)[*:1])c1C
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC CCO[*:1] CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1[*:1]
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC Cc1ccc(cc1C)[*:1] CCOc1cc(Br)c(/C=C(/C#N)C(=O)N[*:1])cc1OCC
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC CCO[*:1] CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1[*:1]
CC(C)c1ncc(C(=O)NN2Cc3ccccc3C2)s1 CC(C)[*:1] O=C(NN1Cc2ccccc2C1)c1cnc(s1)[*:1]
Cn1nnc2cc(C(=O)NC3(C(=O)[O-])CCCCC3)ccc21 O=C([O-])[*:1] Cn1nnc2cc(ccc21)C(=O)NC1(CCCCC1)[*:1]
CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2ccc(OC(C)C)cc2)C1 CC(C)[*:1] CC(=O)N1CC[C@@H](C1)CN(C)S(=O)(=O)c1ccc(cc1)O[*:1]
CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2ccc(OC(C)C)cc2)C1 CC(C)O[*:1] CC(=O)N1CC[C@@H](C1)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
CCN(c1nc2ccccc2cc1C[NH2+]C(C)C)C(C)C CCN(C(C)C)[*:1] CC(C)[NH2+]Cc1cc2ccccc2nc1[*:1]
CCN(c1nc2ccccc2cc1C[NH2+]C(C)C)C(C)C CC(C)[*:1] CCN(c1nc2ccccc2cc1C[NH2+]C(C)C)[*:1]
CCN(c1nc2ccccc2cc1C[NH2+]C(C)C)C(C)C CC(C)[*:1] CCN(c1nc2ccccc2cc1C[NH2+][*:1])C(C)C
Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCOC2)o1 C1COC[C@H](C1)[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH2+]C[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCOC2)o1 Cc1ccc(o1)[*:1] c1[nH]nc(c1C[NH2+]C[C@H]1CCCOC1)[*:1]
Cc1ccc([C@@H]2[NH+]=CC=CN[C@@H]2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1[NH+]=CC=CN[C@H]1[*:1]
Cc1ccc([C@@H]2[NH+]=CC=CN[C@@H]2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1NC=CC=[NH+][C@H]1[*:1]
COC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cccc(OC)c1 COC(=O)[*:1] COc1cccc(c1)[C@H]1NC(=O)NC(CCl)=C1[*:1]
C[C@H](CCl)CS(=O)(=O)[N-]c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](CCl)CS(=O)(=O)[N-]c1ccccc1[*:1]
C[C@H](CCl)CS(=O)(=O)[N-]c1ccccc1[N+](=O)[O-] C[C@H](CCl)[*:1] O=[N+]([O-])c1ccccc1[N-]S(=O)(=O)C[*:1]
C[C@@H](C[C@H](O)c1ccco1)Nc1cc(-n2cccn2)nc(N)n1 O[C@H](c1ccco1)[*:1] C[C@@H](C[*:1])Nc1cc(nc(N)n1)-n1cccn1
C[C@@H](C[C@H](O)c1ccco1)Nc1cc(-n2cccn2)nc(N)n1 c1cnn(c1)[*:1] C[C@@H](C[C@H](O)c1ccco1)Nc1cc(nc(N)n1)[*:1]
C[C@@H](C[C@H](O)c1ccco1)Nc1cc(-n2cccn2)nc(N)n1 c1coc(c1)[*:1] C[C@@H](C[C@H](O)[*:1])Nc1cc(nc(N)n1)-n1cccn1
FC(F)(F)c1nnc2ccc(N3CCC[C@@H](c4nncn4C4CC4)C3)nn12 C1CC1[*:1] FC(F)(F)c1nnc2ccc(nn12)N1CCC[C@H](C1)c1nncn1[*:1]
FC(F)(F)c1nnc2ccc(N3CCC[C@@H](c4nncn4C4CC4)C3)nn12 c1nnc(n1C1CC1)[*:1] FC(F)(F)c1nnc2ccc(nn12)N1CCC[C@@H](C1)[*:1]
FC(F)(F)c1nnc2ccc(N3CCC[C@@H](c4nncn4C4CC4)C3)nn12 FC(F)(F)[*:1] c1cc2nnc(n2nc1N1CCC[C@H](C1)c1nncn1C1CC1)[*:1]
O=S(=O)(CC1CCC1)N[C@@H](c1ccccc1)c1cccc(F)c1 C1CC(C1)C[*:1] O=S(=O)(N[C@@H](c1ccccc1)c1cccc(F)c1)[*:1]
O=S(=O)(CC1CCC1)N[C@@H](c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=S(=O)(CC1CCC1)N[C@@H](c1ccccc1)[*:1]
O=S(=O)(CC1CCC1)N[C@@H](c1ccccc1)c1cccc(F)c1 C1CC(C1)[*:1] O=S(=O)(C[*:1])N[C@@H](c1ccccc1)c1cccc(F)c1
O=S(=O)(CC1CCC1)N[C@@H](c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] O=S(=O)(CC1CCC1)N[C@@H](c1cccc(F)c1)[*:1]
CCC[C@H](NC(=O)CN1CCSC1=O)c1ccccc1 CCC[*:1] O=C(CN1CCSC1=O)N[C@H](c1ccccc1)[*:1]
CCC[C@H](NC(=O)CN1CCSC1=O)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](NC(=O)CN1CCSC1=O)[*:1]
CCC[C@H](NC(=O)CN1CCSC1=O)c1ccccc1 O=C1SCCN1[*:1] CCC[C@H](NC(=O)C[*:1])c1ccccc1
Cc1cc(Cl)ccc1Nc1nc(N2C[C@@H](C)O[C@H](C)C2)nc2c1cnn2C Cc1cc(Cl)ccc1[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1nc(N[*:1])c2cnn(C)c2n1
Cc1cc(Cl)ccc1Nc1nc(N2C[C@@H](C)O[C@H](C)C2)nc2c1cnn2C Cc1cc(Cl)ccc1N[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1nc(c2cnn(C)c2n1)[*:1]
O=S(=O)(N[C@H]1CCCC[C@H]1N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(N[C@H]1CCCC[C@H]1N1CC[NH+](CC1)C1CCCCC1)[*:1]
O=S(=O)(N[C@H]1CCCC[C@H]1N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 C1CCC(CC1)[*:1] O=S(=O)(N[C@H]1CCCC[C@H]1N1CC[NH+](CC1)[*:1])c1ccccc1
O=S(=O)(CCOc1ccccc1)c1ccc(F)c(F)c1 c1ccc(cc1)[*:1] O=S(=O)(CCO[*:1])c1ccc(F)c(F)c1
CCOc1ccc(O[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1 CCO[*:1] Cc1cccc(NC(=O)[C@H](C)Oc2ccc(cc2)[*:1])c1C
CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2O)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccccc1O
CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2O)cc1 Oc1ccccc1[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2O)cc1 CC(C)(C)C(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1O
CCCO/C(=N/C(=O)c1cccs1)N[C@@H](C)c1ccccc1 c1csc(c1)[*:1] CCCO/C(=N/C(=O)[*:1])N[C@@H](C)c1ccccc1
CCCO/C(=N/C(=O)c1cccs1)N[C@@H](C)c1ccccc1 CCC[*:1] C[C@H](N/C(=N\C(=O)c1cccs1)O[*:1])c1ccccc1
CCCO/C(=N/C(=O)c1cccs1)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCCO/C(=N/C(=O)c1cccs1)N[C@@H](C)[*:1]
CCOc1ccccc1C(=O)OCC(=O)Nc1nccs1 c1csc(n1)[*:1] CCOc1ccccc1C(=O)OCC(=O)N[*:1]
CCOc1ccccc1C(=O)OCC(=O)Nc1nccs1 CCO[*:1] O=C(COC(=O)c1ccccc1[*:1])Nc1nccs1
C[C@@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1nc(oc1-c1ccccc1)[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1nc(oc1[*:1])-c1ccccc1
Cc1cc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NC[C@@H](CC(C)C)N1CCOCC1
Cc1cc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)ccc1[N+](=O)[O-] C1CN(CCO1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NC[C@@H](CC(C)C)[*:1]
Cc1cc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)ccc1[N+](=O)[O-] CC(C)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NC[C@@H](C[*:1])N1CCOCC1
Cc1cc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)ccc1[N+](=O)[O-] CC(C)C[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NC[C@@H](N1CCOCC1)[*:1]
CCCOC[C@@H]([NH2+]CC)[C@H]1CCOc2ccccc21 CCCO[*:1] CC[NH2+][C@H](C[*:1])[C@H]1CCOc2ccccc21
CCCOC[C@@H]([NH2+]CC)[C@H]1CCOc2ccccc21 CCCOC[*:1] CC[NH2+][C@@H]([C@H]1CCOc2ccccc21)[*:1]
CCCOC[C@@H]([NH2+]CC)[C@H]1CCOc2ccccc21 CCC[*:1] CC[NH2+][C@H](CO[*:1])[C@H]1CCOc2ccccc21
O=C(Nc1ccc(-n2cccn2)cc1)c1nc[nH]n1 c1cnn(c1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1nc[nH]n1
Clc1ccc(C[NH+]2CCc3nc(-c4ccccn4)nc(N4CCCCCC4)c3C2)s1 c1ccc(nc1)[*:1] Clc1ccc(C[NH+]2CCc3nc(nc(c3C2)N2CCCCCC2)[*:1])s1
Clc1ccc(C[NH+]2CCc3nc(-c4ccccn4)nc(N4CCCCCC4)c3C2)s1 Clc1ccc(s1)[*:1] c1ccc(nc1)-c1nc2CC[NH+](Cc2c(n1)N1CCCCCC1)C[*:1]
Clc1ccc(C[NH+]2CCc3nc(-c4ccccn4)nc(N4CCCCCC4)c3C2)s1 C1CCCN(CC1)[*:1] Clc1ccc(C[NH+]2CCc3nc(nc(c3C2)[*:1])-c2ccccn2)s1
COc1cccc2c1CC[C@H]1C2=NN[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1cccc2C3=NN[C@H](c4ccc(cc4)[*:1])[C@H]3CCc12
Cc1ccc(Cc2nc(C(=O)Nc3ccc(Cl)nn3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)nn1)c1csc(C[*:1])n1
Cc1ccc(Cc2nc(C(=O)Nc3ccc(Cl)nn3)cs2)cc1 Clc1ccc(nn1)[*:1] Cc1ccc(cc1)Cc1nc(cs1)C(=O)N[*:1]
O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)N1CCC2(CC1)OCCO2 Clc1cccc(c1)[*:1] O=C(Cn1ncc2c3ccccc3n(C[*:1])c2c1=O)N1CCC2(CC1)OCCO2
O=C(Cn1ncc2c3ccccc3n(Cc3cccc(Cl)c3)c2c1=O)N1CCC2(CC1)OCCO2 Clc1cccc(c1)C[*:1] O=C(Cn1ncc2c3ccccc3n(c2c1=O)[*:1])N1CCC2(CC1)OCCO2
CONC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C CONC(=O)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N1CCCCC1
Cc1ccc(-c2nc(CN[C@@H](C(N)=O)c3ccc(F)cc3)co2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(co1)CN[C@@H](C(N)=O)[*:1]
Cc1ccc(-c2nc(CN[C@@H](C(N)=O)c3ccc(F)cc3)co2)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@H](NCc1coc(n1)[*:1])c1ccc(F)cc1
Cc1ccc(-c2nc(CN[C@@H](C(N)=O)c3ccc(F)cc3)co2)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1nc(co1)CN[C@@H](c1ccc(F)cc1)[*:1]
CNC(=O)c1ccc(-c2nc(CN3CCN(S(C)(=O)=O)CC3)c(C)o2)cc1 CNC(=O)[*:1] Cc1oc(nc1CN1CCN(CC1)S(C)(=O)=O)-c1ccc(cc1)[*:1]
C[C@@H]1CC(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)C[C@@H](C)O1 Oc1cccc(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1cnc(nc1)[*:1]
CCOc1ccc(C(=O)N2CCCSC[C@@H]2C[NH+]2CCCCC2)cc1 CCO[*:1] O=C(c1ccc(cc1)[*:1])N1CCCSC[C@@H]1C[NH+]1CCCCC1
CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)c1 O=[N+]([O-])[*:1] CCS(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)c1 CCS(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)c1nc2ccc(cc2s1)[N+](=O)[O-]
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])C(C)C CC(C)[*:1] COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])C(C)C CC(C)[*:1] COC(=O)[C@H](C[*:1])NC(=O)[C@@H]([NH3+])C(C)C
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])C(C)C COC(=O)[*:1] CC(C)C[C@H](NC(=O)[C@@H]([NH3+])C(C)C)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])C(C)C CC(C)C[*:1] COC(=O)[C@H](NC(=O)[C@@H]([NH3+])C(C)C)[*:1]
COc1ccc(OC)c([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=N3)c1 COc1ccc(cc1OC)[*:1] COc1ccc(OC)c(c1)[C@H]1Oc2ccccc2C2N=C3N=CNN3[C@@H](C=21)[*:1]
COc1ccc(OC)c([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=N3)c1 COc1ccc(OC)c(c1)[*:1] COc1ccc(cc1OC)[C@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@@H]2[*:1]
COCCN(Cc1cccnc1)C(=O)c1cnn(-c2ccc(F)cc2)n1 c1cncc(c1)C[*:1] COCCN(C(=O)c1cnn(n1)-c1ccc(F)cc1)[*:1]
COCCN(Cc1cccnc1)C(=O)c1cnn(-c2ccc(F)cc2)n1 COCC[*:1] O=C(c1cnn(n1)-c1ccc(F)cc1)N(Cc1cccnc1)[*:1]
COCCN(Cc1cccnc1)C(=O)c1cnn(-c2ccc(F)cc2)n1 c1cncc(c1)[*:1] COCCN(C[*:1])C(=O)c1cnn(n1)-c1ccc(F)cc1
COCCN(Cc1cccnc1)C(=O)c1cnn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] COCCN(Cc1cccnc1)C(=O)c1cnn(n1)[*:1]
COCCN(Cc1cccnc1)C(=O)c1cnn(-c2ccc(F)cc2)n1 COC[*:1] O=C(c1cnn(n1)-c1ccc(F)cc1)N(Cc1cccnc1)C[*:1]
CC(C)N(Cc1cnc(C(C)(C)C)s1)CC(F)F FC(F)C[*:1] CC(C)N(Cc1cnc(s1)C(C)(C)C)[*:1]
CC(C)N(Cc1cnc(C(C)(C)C)s1)CC(F)F CC(C)(C)[*:1] CC(C)N(Cc1cnc(s1)[*:1])CC(F)F
CC(C)N(Cc1cnc(C(C)(C)C)s1)CC(F)F CC(C)[*:1] CC(C)(C)c1ncc(CN(CC(F)F)[*:1])s1
CC(C)N(Cc1cnc(C(C)(C)C)s1)CC(F)F FC(F)[*:1] CC(C)N(Cc1cnc(s1)C(C)(C)C)C[*:1]
COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc4[nH]c(=O)[nH]c4c3)C2)c1 COc1cccc(c1)[*:1] C[C@H]([NH2+][C@@H]1CCCN(C1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)nc1 CCOC(=O)[*:1] N#Cc1c[nH]c(c1)C(=O)N1CCN(CC1)c1ccc(cn1)[*:1]
CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)nc1 N#Cc1c[nH]c(c1)[*:1] CCOC(=O)c1ccc(nc1)N1CCN(CC1)C(=O)[*:1]
COc1c(C)cc(S(=O)(=O)NCC[C@H](O)C2CC2)cc1C O[C@H](C1CC1)[*:1] COc1c(C)cc(cc1C)S(=O)(=O)NCC[*:1]
COc1c(C)cc(S(=O)(=O)NCC[C@H](O)C2CC2)cc1C O[C@@H](C[*:1])C1CC1 COc1c(C)cc(cc1C)S(=O)(=O)NC[*:1]
COc1c(C)cc(S(=O)(=O)NCC[C@H](O)C2CC2)cc1C O[C@@H](CC[*:1])C1CC1 COc1c(C)cc(cc1C)S(=O)(=O)N[*:1]
COc1c(C)cc(S(=O)(=O)NCC[C@H](O)C2CC2)cc1C C1CC1[*:1] COc1c(C)cc(cc1C)S(=O)(=O)NCC[C@H](O)[*:1]
CCN(Cc1ccoc1)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 c1cc(co1)[*:1] CCN(C[*:1])C(=O)N[C@@H]1CCC[C@H](C1)S(C)(=O)=O
CCN(Cc1ccoc1)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCN(Cc1ccoc1)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
CCN(Cc1ccoc1)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 c1cc(co1)C[*:1] CCN(C(=O)N[C@@H]1CCC[C@H](C1)S(C)(=O)=O)[*:1]
CCCN(CCC)C(=O)N[C@@H]1C[C@H](OCC)C12CCC2 CCO[*:1] CCCN(CCC)C(=O)N[C@@H]1C[C@H](C12CCC2)[*:1]
CCCN(CCC)C(=O)N[C@@H]1C[C@H](OCC)C12CCC2 CCC[*:1] CCCN(C(=O)N[C@@H]1C[C@H](OCC)C12CCC2)[*:1]
COc1coc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1=O CC(=O)N[*:1] COc1coc(cc1=O)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)NCCCN(C)S(=O)(=O)N1CCC(C(C)(C)C)CC1 CC(=O)NCCC[*:1] CN(S(=O)(=O)N1CCC(CC1)C(C)(C)C)[*:1]
CC(=O)NCCCN(C)S(=O)(=O)N1CCC(C(C)(C)C)CC1 CC(C)(C)[*:1] CC(=O)NCCCN(C)S(=O)(=O)N1CCC(CC1)[*:1]
CC(=O)NCCCN(C)S(=O)(=O)N1CCC(C(C)(C)C)CC1 CC(=O)NC[*:1] CN(CC[*:1])S(=O)(=O)N1CCC(CC1)C(C)(C)C
CC(=O)NCCCN(C)S(=O)(=O)N1CCC(C(C)(C)C)CC1 CC(=O)NCC[*:1] CN(C[*:1])S(=O)(=O)N1CCC(CC1)C(C)(C)C
CC(=O)NCCCN(C)S(=O)(=O)N1CCC(C(C)(C)C)CC1 CC(=O)N[*:1] CN(CCC[*:1])S(=O)(=O)N1CCC(CC1)C(C)(C)C
C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cccc(N2CCCC2=O)c1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@@H](NC(=O)c1cn(nn1)[*:1])c1cccc(c1)N1CCCC1=O
C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cccc(N2CCCC2=O)c1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1cn(nn1)-c1cccc(c1)[*:1])c1cccc(c1)N1CCCC1=O
C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@@H](NC(=O)c1cn(nn1)-c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[*:1]
C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)C(=O)N1CCOCC1 Brc1cnn(c1)[*:1] C[C@H](C[*:1])[NH2+][C@H](C)C(=O)N1CCOCC1
CC(=O)N1CCN(Cc2cc(N[C@@H]3CCOC3)cc[nH+]2)CC1 C1C[C@H](CO1)N[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)[*:1]
CC(=O)N1CCN(Cc2cc(N[C@@H]3CCOC3)cc[nH+]2)CC1 C1C[C@H](CO1)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N[*:1]
CCC(CC)C(=O)NC[C@](O)(c1cccs1)C(F)(F)F FC(F)(F)[*:1] CCC(CC)C(=O)NC[C@](O)(c1cccs1)[*:1]
CCC(CC)C(=O)NC[C@](O)(c1cccs1)C(F)(F)F CCC(CC)[*:1] O=C(NC[C@](O)(c1cccs1)C(F)(F)F)[*:1]
CCC(CC)C(=O)NC[C@](O)(c1cccs1)C(F)(F)F c1csc(c1)[*:1] CCC(CC)C(=O)NC[C@](O)(C(F)(F)F)[*:1]
Cc1noc(CSCCCc2cn[nH]c2)n1 c1n[nH]cc1[*:1] Cc1noc(CSCCC[*:1])n1
C[C@@H]1Cc2ccccc2N1CC(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H]1Cc2ccccc2N1CC(=O)NC[*:1]
CCCSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 CCCS[*:1] O=C(Nc1nnc(s1)[*:1])c1ccccc1C(F)(F)F
CCCSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 FC(F)(F)[*:1] CCCSc1nnc(NC(=O)c2ccccc2[*:1])s1
CCCSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 CCC[*:1] O=C(Nc1nnc(S[*:1])s1)c1ccccc1C(F)(F)F
C[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 C1CCN(CC1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)c1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1
C[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 O=S(=O)(N1CCOCC1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)c1cc(ccc1N1CCCCC1)[*:1]
CC(C)[NH+](CCNc1ccccc1[N+](=O)[O-])C1CC1 O=[N+]([O-])[*:1] CC(C)[NH+](CCNc1ccccc1[*:1])C1CC1
CC(C)[NH+](CCNc1ccccc1[N+](=O)[O-])C1CC1 C1CC1[*:1] CC(C)[NH+](CCNc1ccccc1[N+](=O)[O-])[*:1]
CC(C)[NH+](CCNc1ccccc1[N+](=O)[O-])C1CC1 CC(C)[*:1] O=[N+]([O-])c1ccccc1NCC[NH+](C1CC1)[*:1]
C[C@@H]1CC=C(/C=C/c2nc(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)n[nH]2)O1 NS(=O)(=O)[*:1] C[C@@H]1CC=C(/C=C/c2nc(n[nH]2)SCC(=O)Nc2cccc(c2)[*:1])O1
CC[C@H]([NH2+]Cc1cc(OC)c2c(c1)OCO2)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H]([NH2+]Cc1cc(OC)c2OCOc2c1)[*:1]
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2)N3)C1 Clc1ccc(cc1)[*:1] CCOC(=O)N1CCc2c(C1)sc1N[C@H](NC(=O)c12)[*:1]
CCc1ccc(NCc2ccc(C(=O)OC)[nH]2)cc1 COC(=O)[*:1] CCc1ccc(cc1)NCc1ccc([nH]1)[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3cccc(Cl)c3)ccc21 Clc1cccc(c1)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N(C)C[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3cccc(Cl)c3)ccc21 Clc1cccc(c1)C[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N(C)[*:1]
CC(C)(C)n1cc(CN2CCN(CC#N)CC2)c(-c2ccccc2Cl)n1 CC(C)(C)[*:1] N#CCN1CCN(CC1)Cc1cn(nc1-c1ccccc1Cl)[*:1]
CC(C)(C)n1cc(CN2CCN(CC#N)CC2)c(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] CC(C)(C)n1cc(CN2CCN(CC#N)CC2)c(n1)[*:1]
CC(C)(C)n1cc(CN2CCN(CC#N)CC2)c(-c2ccccc2Cl)n1 N#CC[*:1] CC(C)(C)n1cc(CN2CCN(CC2)[*:1])c(n1)-c1ccccc1Cl
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1cccs1 C[C@@H](c1cccs1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)c1cccs1)[*:1]
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1])c1cccs1
CC(=O)NCCCC(=O)NC(C1CC1)C1CC1 C1CC1[*:1] CC(=O)NCCCC(=O)NC(C1CC1)[*:1]
CC(=O)NCCCC(=O)NC(C1CC1)C1CC1 CC(=O)N[*:1] O=C(CCC[*:1])NC(C1CC1)C1CC1
CC(=O)NCCCC(=O)NC(C1CC1)C1CC1 CC(=O)NC[*:1] O=C(CC[*:1])NC(C1CC1)C1CC1
CCCn1c(=O)c(-c2ccc(C(=O)N3CCN(c4cccc(OC)c4)CC3)cc2)nc2ccccc21 CCC[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2ccccc2n(c1=O)[*:1]
CCCn1c(=O)c(-c2ccc(C(=O)N3CCN(c4cccc(OC)c4)CC3)cc2)nc2ccccc21 COc1cccc(c1)[*:1] CCCn1c(=O)c(nc2ccccc21)-c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
CCOc1ccc(Nc2nc3ccccc3[nH]2)cc1 CCO[*:1] c1ccc2[nH]c(nc2c1)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)NC(C)(CC)CC)c(C)c1 CCO[*:1] CCC(C)(CC)NC(=O)Nc1ccc(cc1C)[*:1]
CCOc1ccc(NC(=O)NC(C)(CC)CC)c(C)c1 CCC(C)(CC)[*:1] CCOc1ccc(NC(=O)N[*:1])c(C)c1
Cc1noc(C)c1N(C)CCCc1nc2ccccc2o1 Cc1noc(C)c1[*:1] CN(CCCc1nc2ccccc2o1)[*:1]
C#CC1(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)CCCCC1 Fc1ccccc1[*:1] C#CC1(CCCCC1)OC[C@H](O)CN1CCN(CC1)[*:1]
CC(C)(C)c1nc2cc(NC(=O)NCC[C@H](O)c3ccccc3)ccc2o1 O[C@H](c1ccccc1)[*:1] CC(C)(C)c1nc2cc(ccc2o1)NC(=O)NCC[*:1]
CC(C)(C)c1nc2cc(NC(=O)NCC[C@H](O)c3ccccc3)ccc2o1 c1ccc(cc1)[*:1] CC(C)(C)c1nc2cc(ccc2o1)NC(=O)NCC[C@H](O)[*:1]
CC(C)(C)c1nc2cc(NC(=O)NCC[C@H](O)c3ccccc3)ccc2o1 O[C@@H](C[*:1])c1ccccc1 CC(C)(C)c1nc2cc(ccc2o1)NC(=O)NC[*:1]
CC(C)(C)c1nc2cc(NC(=O)NCC[C@H](O)c3ccccc3)ccc2o1 CC(C)(C)[*:1] O=C(NCC[C@H](O)c1ccccc1)Nc1ccc2oc(nc2c1)[*:1]
O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1 O=C(Nc1ccccc1)N[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1 Clc1ccc(cc1)[*:1] O=C(NCCC(=O)N1CCN(CC1)S(=O)(=O)[*:1])Nc1ccccc1
O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)N[*:1]
C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(O[*:1])c(Cl)c1
C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 Cn1ccnc1S[*:1] C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[*:1]
C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 Cn1ccnc1[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(OC(F)F)c(Cl)c1
COc1ccc(C(=O)Oc2ccccc2)c(OC)c1OC c1ccc(cc1)[*:1] COc1ccc(C(=O)O[*:1])c(OC)c1OC
CCCCCC[C@@H](C)NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 CCC[*:1] C[C@H](CCC[*:1])NC(=O)N1CCCC[C@@H](C1)N1CC[NH+](C)CC1
CCCCCC[C@@H](C)NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 CCCCCC[C@@H](C)[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)N[*:1]
CCCCCC[C@@H](C)NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 CCCCCC[*:1] C[C@@H](NC(=O)N1CCCC[C@@H](C1)N1CC[NH+](C)CC1)[*:1]
CCCCCC[C@@H](C)NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 CCCC[*:1] C[C@H](CC[*:1])NC(=O)N1CCCC[C@@H](C1)N1CC[NH+](C)CC1
CCCCCC[C@@H](C)NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 CCCCC[*:1] C[C@H](C[*:1])NC(=O)N1CCCC[C@@H](C1)N1CC[NH+](C)CC1
Cc1nc2ccccc2n1CCNC(=O)[C@H](CC(C)C)N1CCCCC1=O CC(C)C[*:1] Cc1nc2ccccc2n1CCNC(=O)[C@H](N1CCCCC1=O)[*:1]
Cc1nc2ccccc2n1CCNC(=O)[C@H](CC(C)C)N1CCCCC1=O O=C1CCCCN1[*:1] Cc1nc2ccccc2n1CCNC(=O)[C@H](CC(C)C)[*:1]
Cc1nc2ccccc2n1CCNC(=O)[C@H](CC(C)C)N1CCCCC1=O CC(C)[*:1] Cc1nc2ccccc2n1CCNC(=O)[C@H](C[*:1])N1CCCCC1=O
CCCN1CCO[C@H](c2ncc(C[NH2+]C)s2)C1 CCC[*:1] C[NH2+]Cc1cnc(s1)[C@@H]1CN(CCO1)[*:1]
Cc1cc([N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccn1 O=C([O-])[*:1] Cc1cc(ccn1)[N-]S(=O)(=O)N1CCC(CC1)[*:1]
CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)CCc1cccc(F)c1 CCN(C)C(=O)[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N1CSC[C@H]1[*:1]
CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)CCc1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)CC[*:1]
CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)CCc1cccc(F)c1 Fc1cccc(c1)C[*:1] CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)C[*:1]
Cc1n[nH]c2cc(NC(=O)c3ccc(CS(C)(=O)=O)o3)ccc12 CS(=O)(=O)C[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)c1ccc(o1)[*:1]
Cc1n[nH]c2cc(NC(=O)c3ccc(CS(C)(=O)=O)o3)ccc12 CS(=O)(=O)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)c1ccc(C[*:1])o1
O=C(c1cc2c(cc1O)OCO2)N1CCC[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(c1cc2OCOc2cc1O)N1CCC[C@H]1[*:1]
COCc1ccccc1NC(=O)CCn1ccccc1=O O=c1ccccn1[*:1] COCc1ccccc1NC(=O)CC[*:1]
COCc1ccccc1NC(=O)CCn1ccccc1=O COC[*:1] O=C(CCn1ccccc1=O)Nc1ccccc1[*:1]
CCc1nn(C)cc1C(=O)N1[C@@H](C(=O)OC)C[C@H]2CCCC[C@H]21 COC(=O)[*:1] CCc1nn(C)cc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1[*:1]
COc1cc2c(cc1NC(=S)Nc1cccc(C(F)(F)F)c1)oc1ccccc12 FC(F)(F)[*:1] COc1cc2c(cc1NC(=S)Nc1cccc(c1)[*:1])oc1ccccc12
COC(C)(C)C(=O)Cc1cccc2ccccc12 COC(C)(C)[*:1] O=C(Cc1cccc2ccccc12)[*:1]
Cc1ccc(N(Cc2ccc(C(=O)NCc3ccncc3)cc2)S(C)(=O)=O)cc1C c1cc(ccn1)[*:1] Cc1ccc(cc1C)N(Cc1ccc(cc1)C(=O)NC[*:1])S(C)(=O)=O
Cc1ccc(N(Cc2ccc(C(=O)NCc3ccncc3)cc2)S(C)(=O)=O)cc1C c1cc(ccn1)C[*:1] Cc1ccc(cc1C)N(Cc1ccc(cc1)C(=O)N[*:1])S(C)(=O)=O
Cc1ccc(N(Cc2ccc(C(=O)NCc3ccncc3)cc2)S(C)(=O)=O)cc1C Cc1ccc(cc1C)[*:1] CS(=O)(=O)N(Cc1ccc(cc1)C(=O)NCc1ccncc1)[*:1]
Cc1ccc(N(Cc2ccc(C(=O)NCc3ccncc3)cc2)S(C)(=O)=O)cc1C O=C(NCc1ccncc1)[*:1] Cc1ccc(cc1C)N(Cc1ccc(cc1)[*:1])S(C)(=O)=O
COCCOc1ccccc1C(=O)Nc1cccc(Cl)c1 COC[*:1] O=C(Nc1cccc(Cl)c1)c1ccccc1OC[*:1]
COCCOc1ccccc1C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] COCCOc1ccccc1C(=O)N[*:1]
COCCOc1ccccc1C(=O)Nc1cccc(Cl)c1 COCCO[*:1] O=C(Nc1cccc(Cl)c1)c1ccccc1[*:1]
COCCOc1ccccc1C(=O)Nc1cccc(Cl)c1 COCC[*:1] O=C(Nc1cccc(Cl)c1)c1ccccc1O[*:1]
COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)[NH2+]CC2 Clc1ccccc1[*:1] COc1cc2CC[NH2+][C@H](c2cc1OC)[*:1]
Cc1cc(NC(=O)C[NH+]2CCN([C@H](C)C(=O)c3c[nH]c4ccccc34)CC2)no1 c1ccc2c(c[nH]c2c1)[*:1] Cc1cc(no1)NC(=O)C[NH+]1CCN(CC1)[C@H](C)C(=O)[*:1]
Cc1cc(NC(=O)C[NH+]2CCN([C@H](C)C(=O)c3c[nH]c4ccccc34)CC2)no1 Cc1cc(no1)NC(=O)[*:1] C[C@H](C(=O)c1c[nH]c2ccccc12)N1CC[NH+](CC1)C[*:1]
Cc1cc(NC(=O)C[NH+]2CCN([C@H](C)C(=O)c3c[nH]c4ccccc34)CC2)no1 Cc1cc(no1)[*:1] C[C@H](C(=O)c1c[nH]c2ccccc12)N1CC[NH+](CC1)CC(=O)N[*:1]
N/C(Cn1cccn1)=N\OCc1coc(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] N/C(Cn1cccn1)=N\OCc1coc(n1)[*:1]
N/C(Cn1cccn1)=N\OCc1coc(-c2cccc(F)c2)n1 c1cnn(c1)[*:1] N/C(C[*:1])=N\OCc1coc(n1)-c1cccc(F)c1
N/C(Cn1cccn1)=N\OCc1coc(-c2cccc(F)c2)n1 c1cnn(c1)C[*:1] N/C(=N\OCc1coc(n1)-c1cccc(F)c1)[*:1]
COc1cccc(OCc2nc(C(=O)NCc3cc(F)ccc3C)co2)c1 COc1cccc(c1)O[*:1] Cc1ccc(F)cc1CNC(=O)c1coc(C[*:1])n1
COc1cccc(OCc2nc(C(=O)NCc3cc(F)ccc3C)co2)c1 Cc1ccc(F)cc1[*:1] COc1cccc(c1)OCc1nc(co1)C(=O)NC[*:1]
COc1cccc(OCc2nc(C(=O)NCc3cc(F)ccc3C)co2)c1 COc1cccc(c1)[*:1] Cc1ccc(F)cc1CNC(=O)c1coc(CO[*:1])n1
COc1cccc(OCc2nc(C(=O)NCc3cc(F)ccc3C)co2)c1 Cc1ccc(F)cc1C[*:1] COc1cccc(c1)OCc1nc(co1)C(=O)N[*:1]
CN(C)C(=O)c1ccc(CN[C@@H]2CC[C@@H]([NH+](C)C)C2)[nH]1 CN(C)C(=O)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NCc1ccc([nH]1)[*:1]
Cc1ccccc1OC[C@H](O)C[NH2+]C1CCCC1 C1CCC(C1)[*:1] Cc1ccccc1OC[C@H](O)C[NH2+][*:1]
O=C(c1ccc([O-])nn1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc([O-])nn1)N1CCN(CC1)Cc1csc(n1)[*:1]
C[NH+](CCNC(=O)c1c[nH]cn1)Cc1ccc(F)cc1 c1nc(c[nH]1)[*:1] C[NH+](CCNC(=O)[*:1])Cc1ccc(F)cc1
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CCCCN2C(=O)c3ccccc3C2=O)C1=O Clc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CCCCN2C(=O)c3ccccc3C2=O)C1=O)[*:1]
CN(CC(=O)Nc1ncc(-c2ccc(F)cc2)n1C)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CC(=O)Nc1ncc(n1C)[*:1])S(=O)(=O)c1ccc(F)cc1
CN(CC(=O)Nc1ncc(-c2ccc(F)cc2)n1C)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CC(=O)Nc1ncc(-c2ccc(F)cc2)n1C)S(=O)(=O)[*:1]
COc1cccc2c1OC[C@@H]([NH2+]C[C@H]1C=NN=C1c1cccc(F)c1)C2 Fc1cccc(c1)[*:1] COc1cccc2C[C@@H](COc21)[NH2+]C[C@H]1C=NN=C1[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)C1 FC(F)(F)C[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)C1CCN(CC1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)C1 FC(F)(F)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)C1CCN(CC1)C[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)C1 CCNS(=O)(=O)[*:1] O=C(C1CCN(CC1)CC(F)(F)F)N1CC[C@H](C1)[*:1]
CCCc1c(-c2cc3c(s2)CCCC3)nn(C)c1N CCC[*:1] Cn1nc(-c2cc3CCCCc3s2)c(c1N)[*:1]
COc1ccc(NC(=O)N2CCOC[C@@H]2C2CC2)cc1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1[*:1])NC(=O)N1CCOC[C@@H]1C1CC1
COc1ccc(NC(=O)N2CCOC[C@@H]2C2CC2)cc1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1C[*:1])NC(=O)N1CCOC[C@@H]1C1CC1
COc1ccc(NC(=O)N2CCOC[C@@H]2C2CC2)cc1Cc1ccccc1 C1CC1[*:1] COc1ccc(cc1Cc1ccccc1)NC(=O)N1CCOC[C@H]1[*:1]
O=C(NNC(=O)c1cscn1)c1cccc([N+](=O)[O-])c1 c1nc(cs1)[*:1] O=C(NNC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(NNC(=O)c1cscn1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NNC(=O)c1cscn1)c1cccc(c1)[*:1]
Cc1c(C(=O)NC[C@H](C)N2CCc3ccccc32)c(=O)oc2ccccc12 c1ccc2c(c1)CCN2[*:1] Cc1c(C(=O)NC[C@H](C)[*:1])c(=O)oc2ccccc12
O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+](CC1)[*:1]
Cc1nnc(S[C@H](C(=O)Nc2cccc3ccccc23)C(C)C)n1N Cc1nnc(S[*:1])n1N CC(C)[C@@H](C(=O)Nc1cccc2ccccc12)[*:1]
Cc1nnc(S[C@H](C(=O)Nc2cccc3ccccc23)C(C)C)n1N Cc1nnc(n1N)[*:1] CC(C)[C@H](S[*:1])C(=O)Nc1cccc2ccccc12
Cc1nnc(S[C@H](C(=O)Nc2cccc3ccccc23)C(C)C)n1N CC(C)[*:1] Cc1nnc(S[C@H](C(=O)Nc2cccc3ccccc23)[*:1])n1N
COC[C@H](C)Nc1ncnc(Nc2ccc(Cl)cc2Cl)c1N COC[*:1] C[C@H](Nc1ncnc(Nc2ccc(Cl)cc2Cl)c1N)[*:1]
COC[C@H](C)Nc1ncnc(Nc2ccc(Cl)cc2Cl)c1N COC[C@H](C)N[*:1] Nc1c(ncnc1[*:1])Nc1ccc(Cl)cc1Cl
COC[C@H](C)Nc1ncnc(Nc2ccc(Cl)cc2Cl)c1N COC[C@H](C)[*:1] Nc1c(ncnc1N[*:1])Nc1ccc(Cl)cc1Cl
Cn1c2c(c(=O)n(C)c1=O)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 FC(F)(F)[*:1] Cn1c2NC(=O)[C@@](NC(=O)c3ccccc3F)(c2c(=O)n(C)c1=O)[*:1]
Cn1c2c(c(=O)n(C)c1=O)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 Fc1ccccc1[*:1] Cn1c2NC(=O)[C@](NC(=O)[*:1])(c2c(=O)n(C)c1=O)C(F)(F)F
COc1cccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)c1 CC(=O)[*:1] COc1cccc(c1)N(CC(=O)Nc1cccc(c1)[*:1])S(C)(=O)=O
COc1cccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)c1 COc1cccc(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)CN(S(C)(=O)=O)[*:1]
O=C(Cc1ccc[nH]1)Nc1ccc(OCc2ccccc2F)cc1 c1c[nH]c(c1)[*:1] O=C(C[*:1])Nc1ccc(cc1)OCc1ccccc1F
O=C(Cc1ccc[nH]1)Nc1ccc(OCc2ccccc2F)cc1 c1c[nH]c(c1)C[*:1] O=C(Nc1ccc(cc1)OCc1ccccc1F)[*:1]
O=C(Cc1ccc[nH]1)Nc1ccc(OCc2ccccc2F)cc1 Fc1ccccc1C[*:1] O=C(Cc1ccc[nH]1)Nc1ccc(cc1)O[*:1]
O=C(Cc1ccc[nH]1)Nc1ccc(OCc2ccccc2F)cc1 Fc1ccccc1[*:1] O=C(Cc1ccc[nH]1)Nc1ccc(cc1)OC[*:1]
CC(C)CN(CC#Cc1ccccc1)C(=O)c1ccc(-n2cnnc2)cc1 c1nncn1[*:1] CC(C)CN(CC#Cc1ccccc1)C(=O)c1ccc(cc1)[*:1]
CC(C)CN(CC#Cc1ccccc1)C(=O)c1ccc(-n2cnnc2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)-n1cnnc1)N(CC#Cc1ccccc1)C[*:1]
CC(C)CN(CC#Cc1ccccc1)C(=O)c1ccc(-n2cnnc2)cc1 C(#C[*:1])c1ccccc1 CC(C)CN(C[*:1])C(=O)c1ccc(cc1)-n1cnnc1
CC(C)CN(CC#Cc1ccccc1)C(=O)c1ccc(-n2cnnc2)cc1 CC(C)C[*:1] O=C(c1ccc(cc1)-n1cnnc1)N(CC#Cc1ccccc1)[*:1]
CC(C)CN(CC#Cc1ccccc1)C(=O)c1ccc(-n2cnnc2)cc1 c1ccc(cc1)[*:1] CC(C)CN(CC#C[*:1])C(=O)c1ccc(cc1)-n1cnnc1
CC(C)CN(CC#Cc1ccccc1)C(=O)c1ccc(-n2cnnc2)cc1 C(#Cc1ccccc1)C[*:1] CC(C)CN(C(=O)c1ccc(cc1)-n1cnnc1)[*:1]
O=C(NCc1ccccc1)c1ccc(OCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(cc1)OCCc1ccccc1
O=C(NCc1ccccc1)c1ccc(OCCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1)c1ccc(cc1)OCC[*:1]
O=C(NCc1ccccc1)c1ccc(OCCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] O=C(NCc1ccccc1)c1ccc(cc1)O[*:1]
O=C(NCc1ccccc1)c1ccc(OCCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(cc1)OCCc1ccccc1
O=C(NCc1ccccc1)c1ccc(OCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(NCc1ccccc1)c1ccc(cc1)OC[*:1]
N#Cc1cc2c(nc1N(CC(=O)[O-])CC(F)(F)F)CCC2 O=C([O-])C[*:1] N#Cc1cc2CCCc2nc1N(CC(F)(F)F)[*:1]
N#Cc1cc2c(nc1N(CC(=O)[O-])CC(F)(F)F)CCC2 O=C([O-])[*:1] N#Cc1cc2CCCc2nc1N(CC(F)(F)F)C[*:1]
N#Cc1cc2c(nc1N(CC(=O)[O-])CC(F)(F)F)CCC2 FC(F)(F)[*:1] N#Cc1cc2CCCc2nc1N(CC(=O)[O-])C[*:1]
N#Cc1cc2c(nc1N(CC(=O)[O-])CC(F)(F)F)CCC2 FC(F)(F)C[*:1] N#Cc1cc2CCCc2nc1N(CC(=O)[O-])[*:1]
Cc1nc(-c2cccc(NC(=O)Nc3ccc(F)c(F)c3)c2)no1 Fc1ccc(cc1F)[*:1] Cc1nc(no1)-c1cccc(c1)NC(=O)N[*:1]
Cc1nc(-c2cccc(NC(=O)Nc3ccc(F)c(F)c3)c2)no1 Cc1nc(no1)[*:1] O=C(Nc1cccc(c1)[*:1])Nc1ccc(F)c(F)c1
O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1-n1cncn1 c1ncn(n1)[*:1] O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1[*:1]
O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1-n1cncn1 C1CN(CCO1)[*:1] O=C(NCc1ccc[nH+]c1[*:1])c1ccccc1-n1cncn1
C[NH+](C)[C@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)c1cccs1 O=C1NC(=O)[C@H](N1)[*:1] C[NH+](C)[C@H](CNC(=O)CC[*:1])c1cccs1
C[NH+](C)[C@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)[*:1]
CCn1nc(C)c(Br)c1C[C@H](C(=O)[O-])c1ccc(F)cc1 O=C([O-])[*:1] CCn1nc(C)c(Br)c1C[C@H](c1ccc(F)cc1)[*:1]
CCn1nc(C)c(Br)c1C[C@H](C(=O)[O-])c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCn1nc(C)c(Br)c1C[C@H](C(=O)[O-])[*:1]
CCOc1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2C)cc1 c1ccc(cc1)CN[*:1] CCOc1ccc(cc1)NC(=O)c1cnc(nc1C)[*:1]
CCOc1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2C)cc1 CCO[*:1] Cc1nc(ncc1C(=O)Nc1ccc(cc1)[*:1])NCc1ccccc1
CCOc1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2C)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)NC(=O)c1cnc(nc1C)N[*:1]
CCOc1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2C)cc1 CCOc1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)N[*:1])NCc1ccccc1
CCOc1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2C)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)c1cnc(nc1C)NC[*:1]
CCN1C[C@@H](C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1=O CS(=O)(=O)[*:1] CCN1C[C@H](CC1=O)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
Cc1c(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)oc2c(C)cccc12 CC(C)[*:1] Cc1c(oc2c(C)cccc12)C(=O)N[C@@H](C(=O)N1CCOCC1)[*:1]
Cc1c(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)oc2c(C)cccc12 O=C(N1CCOCC1)[*:1] Cc1c(oc2c(C)cccc12)C(=O)N[C@@H](C(C)C)[*:1]
O=C(N[C@@H](CO)c1ccccc1F)c1cc(F)c(F)c(F)c1 Fc1ccccc1[*:1] O=C(N[C@@H](CO)[*:1])c1cc(F)c(F)c(F)c1
CCC[NH2+][C@H](c1cccnc1)C(CC)CC CCC(CC)[*:1] CCC[NH2+][C@H](c1cccnc1)[*:1]
CCC[NH2+][C@H](c1cccnc1)C(CC)CC CCC[*:1] CCC(CC)[C@H]([NH2+][*:1])c1cccnc1
C=CC(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CC(=O)Nc1ccccc1Sc1nc(Br)nn1C[*:1]
C=CC(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C=CC(=O)Nc1ccccc1Sc1nc(Br)nn1[*:1]
C=CC(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccc(F)cc1 C=CC(=O)N[*:1] Fc1ccc(cc1)Cn1nc(Br)nc1Sc1ccccc1[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)C[C@H](C)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@H](C#N)NC(=O)C[C@H](C)[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)C[C@H](C)C(C)(C)C C[C@H](C(C)(C)C)[*:1] Cc1ccccc1[C@H](C#N)NC(=O)C[*:1]
COc1cccc(C(=O)Nc2ccsc2C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)C(=O)Nc1ccsc1[*:1]
CCNc1cc(C(C)(C)C)nc([C@H]2CSCCO2)n1 CCN[*:1] CC(C)(C)c1cc(nc(n1)[C@H]1CSCCO1)[*:1]
CCNc1cc(C(C)(C)C)nc([C@H]2CSCCO2)n1 CC(C)(C)[*:1] CCNc1cc(nc(n1)[C@H]1CSCCO1)[*:1]
CCCC[C@H]([NH3+])c1ccnn1C CCC[*:1] Cn1nccc1[C@@H]([NH3+])C[*:1]
CCCC[C@H]([NH3+])c1ccnn1C CCCC[*:1] Cn1nccc1[C@@H]([NH3+])[*:1]
CCC[S@@](=O)[C@H]1CCCC(C)(C)[C@@H]1[NH2+]C CCC[*:1] C[NH2+][C@@H]1[C@H](CCCC1(C)C)[S@](=O)[*:1]
CCC[S@@](=O)[C@H]1CCCC(C)(C)[C@@H]1[NH2+]C CCC[S@@](=O)[*:1] C[NH2+][C@@H]1[C@H](CCCC1(C)C)[*:1]
CC1CCN(C(=O)NCCCOC2CCOCC2)CC1 C1CC(CCO1)[*:1] CC1CCN(CC1)C(=O)NCCCO[*:1]
NC(=O)CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)nc2)C1 NC(=O)CC[*:1] O=C(Nc1ccc(Cl)nc1)C(=O)N1CCC[C@@H](C1)[*:1]
NC(=O)CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)nc2)C1 Clc1ccc(cn1)[*:1] NC(=O)CC[C@H]1CCCN(C1)C(=O)C(=O)N[*:1]
NC(=O)CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)nc2)C1 NC(=O)[*:1] O=C(Nc1ccc(Cl)nc1)C(=O)N1CCC[C@H](CC[*:1])C1
NC(=O)CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)nc2)C1 NC(=O)C[*:1] O=C(Nc1ccc(Cl)nc1)C(=O)N1CCC[C@@H](C1)C[*:1]
CN(Cc1csc(Br)c1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CN(Cc1csc(Br)c1)C(=O)N[*:1]
CC[C@@H](C)C(=O)N(CC(C)C)CC(C)C CC(C)C[*:1] CC[C@@H](C)C(=O)N(CC(C)C)[*:1]
CC[C@@H](C)C(=O)N(CC(C)C)CC(C)C CC(C)[*:1] CC[C@@H](C)C(=O)N(CC(C)C)C[*:1]
CC[C@@H](C)C(=O)N(CC(C)C)CC(C)C CC[C@@H](C)[*:1] CC(C)CN(CC(C)C)C(=O)[*:1]
COC(=O)c1ccc([C@@H](C)Oc2cccc(C)c2)o1 COC(=O)[*:1] Cc1cccc(c1)O[C@H](C)c1ccc(o1)[*:1]
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(F)(F)F)cc2)cc1 CCOC(=O)[*:1] N#C/C(=C\c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)/C(C#N)=C/c1ccc(cc1)[*:1]
COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1[*:1]
COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1N1CCOCC1 O=C([O-])[*:1] COCCN1C(=O)C[C@H]([C@@H]1c1ccccc1N1CCOCC1)[*:1]
COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1N1CCOCC1 COCC[*:1] O=C([O-])[C@H]1CC(=O)N([C@H]1c1ccccc1N1CCOCC1)[*:1]
COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1N1CCOCC1 COC[*:1] O=C([O-])[C@H]1CC(=O)N(C[*:1])[C@H]1c1ccccc1N1CCOCC1
COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc21 COc1ccccc1[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1[*:1])OC(=O)[C@@H]1COc2ccccc2O1
COc1ccc2c(c1)[C@@H]([NH2+]CCNS(C)(=O)=O)CC2 CS(=O)(=O)NC[*:1] COc1ccc2CC[C@H]([NH2+]C[*:1])c2c1
COc1ccc2c(c1)[C@@H]([NH2+]CCNS(C)(=O)=O)CC2 CS(=O)(=O)N[*:1] COc1ccc2CC[C@H]([NH2+]CC[*:1])c2c1
O=C(Cn1ccc2ccc(Br)cc21)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(Cn1ccc2ccc(Br)cc21)N[*:1]
C[C@H](Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)[O-] c1ccc(cc1)[*:1] C[C@H](Oc1ccc(cc1)C(=O)NC[*:1])C(=O)[O-]
C[C@H](Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](Oc1ccc(cc1)C(=O)NCc1ccccc1)[*:1]
C[C@H](Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)[O-] c1ccc(cc1)C[*:1] C[C@H](Oc1ccc(cc1)C(=O)N[*:1])C(=O)[O-]
Cc1nc(CC(=O)N2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)cs1 Clc1ccc(cc1)C[*:1] Cc1nc(cs1)CC(=O)N1CCC(CC1)c1cccc(n1)[*:1]
Cc1nc(CC(=O)N2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)cs1 Clc1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)N1CCC(CC1)c1cccc(C[*:1])n1
Cc1nc(CC(=O)N2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N1CCC(CC1)c1cccc(Cc2ccc(Cl)cc2)n1
Cc1nc(CC(=O)N2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(N1CCC(CC1)c1cccc(Cc2ccc(Cl)cc2)n1)[*:1]
CCn1cc(C#N)c(=O)n(C[C@H](O)COc2ccc(C(C)(C)C)cc2)c1=O CC(C)(C)[*:1] CCn1cc(C#N)c(=O)n(C[C@H](O)COc2ccc(cc2)[*:1])c1=O
CC[C@@H](CO)NC(=O)NCc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CC[C@@H](CO)NC(=O)NCc1ccc(cc1)[*:1]
CC[C@@H](CO)NC(=O)NCc1ccc(-n2cncn2)cc1 CC[C@@H](CO)[*:1] O=C(NCc1ccc(cc1)-n1cncn1)N[*:1]
CCN(Cc1cccc(F)c1)C(=O)c1ccc(OC)cc1 Fc1cccc(c1)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)OC
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)C(F)(F)c3ccccn3)C2)c1 c1ccc(nc1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)C(F)(F)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)C(F)(F)c3ccccn3)C2)c1 FC(F)(c1ccccn1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)C(F)(F)c3ccccn3)C2)c1 CCOC(=O)[*:1] O=C(N1CCC[C@@H](C1)n1cc(cn1)[*:1])C(F)(F)c1ccccn1
CCCC(=O)Nc1cccc(NC(=O)Cc2ccc(F)cc2F)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)Cc1ccc(F)cc1F
CCCC(=O)Nc1cccc(NC(=O)Cc2ccc(F)cc2F)c1C Fc1ccc(c(F)c1)[*:1] CCCC(=O)Nc1cccc(NC(=O)C[*:1])c1C
CCCC(=O)Nc1cccc(NC(=O)Cc2ccc(F)cc2F)c1C CCC[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)Cc1ccc(F)cc1F
CC(=O)Nc1sc2c(c1[C@@H](c1cccnc1)[NH+]1CCCC1)CCCC2 CC(=O)N[*:1] c1cncc(c1)[C@H](c1c(sc2CCCCc21)[*:1])[NH+]1CCCC1
CC(=O)Nc1sc2c(c1[C@@H](c1cccnc1)[NH+]1CCCC1)CCCC2 c1cncc(c1)[*:1] CC(=O)Nc1sc2CCCCc2c1[C@@H]([NH+]1CCCC1)[*:1]
C[C@H](O)c1ccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 C[C@H](O)[*:1] c1cc2NC[C@@H](C[NH2+]Cc3ccc(cc3)[*:1])Cn2n1
C[NH+](C)C1CCN(CC[NH2+][C@H](c2cccs2)C2CC2)CC1 c1csc(c1)[*:1] C[NH+](C)C1CCN(CC[NH2+][C@H](C2CC2)[*:1])CC1
C[NH+](C)C1CCN(CC[NH2+][C@H](c2cccs2)C2CC2)CC1 C1CC1[*:1] C[NH+](C)C1CCN(CC[NH2+][C@H](c2cccs2)[*:1])CC1
COC(=O)CCN1CCN(c2ncc(F)cn2)[C@@H](C)C1 COC(=O)CC[*:1] C[C@H]1CN(CCN1c1ncc(F)cn1)[*:1]
COC(=O)CCN1CCN(c2ncc(F)cn2)[C@@H](C)C1 COC(=O)[*:1] C[C@H]1CN(CCN1c1ncc(F)cn1)CC[*:1]
COC(=O)CCN1CCN(c2ncc(F)cn2)[C@@H](C)C1 COC(=O)C[*:1] C[C@H]1CN(CCN1c1ncc(F)cn1)C[*:1]
COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3CC(N)=O)n2)cc1 NC(=O)[*:1] COc1ccc(cc1)Oc1cc(C)nc(n1)[C@@H]1CCCN1C[*:1]
COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3CC(N)=O)n2)cc1 NC(=O)C[*:1] COc1ccc(cc1)Oc1cc(C)nc(n1)[C@@H]1CCCN1[*:1]
COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3CC(N)=O)n2)cc1 COc1ccc(cc1)[*:1] Cc1cc(nc(n1)[C@@H]1CCCN1CC(N)=O)O[*:1]
O=C(Nc1ccccc1N1CCCCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 C1CCN(CC1)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)S(=O)(=O)NC[C@H]1CCCO1
Cc1cc(NC(=O)NC[C@](C)(O)c2ccccc2)n(Cc2ccccn2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)NC[C@](C)(O)[*:1])n(Cc2ccccn2)n1
Cc1cc(NC(=O)NC[C@](C)(O)c2ccccc2)n(Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(NC(=O)NC[C@](C)(O)c2ccccc2)n(C[*:1])n1
Cc1cc(NC(=O)NC[C@](C)(O)c2ccccc2)n(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc(NC(=O)NC[C@](C)(O)c2ccccc2)n(n1)[*:1]
Cc1cc(NC(=O)NC[C@](C)(O)c2ccccc2)n(Cc2ccccn2)n1 C[C@](O)(c1ccccc1)[*:1] Cc1cc(NC(=O)NC[*:1])n(Cc2ccccn2)n1
CCc1cnn2c(Cl)cc([C@H]3CCCO3)nc12 C1CO[C@H](C1)[*:1] CCc1cnn2c(Cl)cc(nc12)[*:1]
Cc1csc(/C(C#N)=C\c2cc([N+](=O)[O-])ccc2OC(F)F)n1 O=[N+]([O-])[*:1] Cc1csc(n1)/C(C#N)=C\c1cc(ccc1OC(F)F)[*:1]
Cc1csc(/C(C#N)=C\c2cc([N+](=O)[O-])ccc2OC(F)F)n1 Cc1csc(n1)[*:1] N#CC(=Cc1cc(ccc1OC(F)F)[N+](=O)[O-])[*:1]
Cc1csc(/C(C#N)=C\c2cc([N+](=O)[O-])ccc2OC(F)F)n1 FC(F)O[*:1] Cc1csc(n1)/C(C#N)=C\c1cc(ccc1[*:1])[N+](=O)[O-]
Cc1csc(/C(C#N)=C\c2cc([N+](=O)[O-])ccc2OC(F)F)n1 FC(F)[*:1] Cc1csc(n1)/C(C#N)=C\c1cc(ccc1O[*:1])[N+](=O)[O-]
C[C@@H](O)C[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCO2 C[C@@H](O)[*:1] O=C(c1ccc2OCOc2c1)N1CCCC[C@@H]1C[*:1]
C[C@@H](O)C[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCO2 C[C@@H](O)C[*:1] O=C(c1ccc2OCOc2c1)N1CCCC[C@@H]1[*:1]
COc1ccc(OC[C@@H](O)CN(C)C(=O)c2ccc(Br)cc2)cc1 COc1ccc(cc1)[*:1] CN(C[C@H](O)CO[*:1])C(=O)c1ccc(Br)cc1
COc1ccc(OC[C@@H](O)CN(C)C(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)OC[C@@H](O)CN(C)C(=O)[*:1]
CN(Cc1ccon1)Cc1cc2cc3c(cc2nc1-c1cccs1)OCO3 c1csc(c1)[*:1] CN(Cc1ccon1)Cc1cc2cc3OCOc3cc2nc1[*:1]
CN(Cc1ccon1)Cc1cc2cc3c(cc2nc1-c1cccs1)OCO3 c1cc(C[*:1])no1 CN(Cc1cc2cc3OCOc3cc2nc1-c1cccs1)[*:1]
CN(Cc1ccon1)Cc1cc2cc3c(cc2nc1-c1cccs1)OCO3 CN(Cc1ccon1)[*:1] c1csc(c1)-c1nc2cc3OCOc3cc2cc1C[*:1]
CN(Cc1ccon1)Cc1cc2cc3c(cc2nc1-c1cccs1)OCO3 CN(Cc1ccon1)C[*:1] c1csc(c1)-c1nc2cc3OCOc3cc2cc1[*:1]
CN(Cc1ccon1)Cc1cc2cc3c(cc2nc1-c1cccs1)OCO3 c1cc(no1)[*:1] CN(Cc1cc2cc3OCOc3cc2nc1-c1cccs1)C[*:1]
O=C(C[NH+]1Cc2ccccc2C1)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 c1cncc(c1)[*:1] O=C(C[NH+]1Cc2ccccc2C1)N[C@H]1CCCc2nc(ncc21)[*:1]
CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 CC(=O)C[*:1] O=c1c2ccccc2nc(S[*:1])n1-c1ccc(cc1)Oc1ccccc1
CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 CC(=O)CS[*:1] O=c1c2ccccc2nc(n1-c1ccc(cc1)Oc1ccccc1)[*:1]
CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(cc1)[*:1]
CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(cc1)O[*:1]
CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 CC(=O)[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1ccc(cc1)Oc1ccccc1
C/C=C/C(=O)Nc1cnc(C)n1-c1nc(-c2ccc(Cl)cc2)cs1 CC=C[*:1] Cc1ncc(NC(=O)[*:1])n1-c1nc(cs1)-c1ccc(Cl)cc1
C/C=C/C(=O)Nc1cnc(C)n1-c1nc(-c2ccc(Cl)cc2)cs1 Clc1ccc(cc1)[*:1] C/C=C/C(=O)Nc1cnc(C)n1-c1nc(cs1)[*:1]
C/C=C/C(=O)Nc1cnc(C)n1-c1nc(-c2ccc(Cl)cc2)cs1 C/C=C/C(=O)N[*:1] Cc1ncc(n1-c1nc(cs1)-c1ccc(Cl)cc1)[*:1]
CC(C)(C)c1cc(C(=O)N2CCc3ccccc32)ccn1 CC(C)(C)[*:1] O=C(c1ccnc(c1)[*:1])N1CCc2ccccc21
O=C(NCc1cccnc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 c1cncc(c1)[*:1] O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)C(=O)NC[*:1]
O=C(NCc1cccnc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] O=C(NCc1cccnc1)C(=O)NC[C@@H](c1cccs1)[*:1]
O=C(NCc1cccnc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 c1cncc(c1)C[*:1] O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)C(=O)N[*:1]
O=C(NCc1cccnc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 c1csc(c1)[*:1] O=C(NCc1cccnc1)C(=O)NC[C@@H](N1CCc2ccccc21)[*:1]
ClCc1nc2cccnc2n1C[C@H]1COCCO1 C1CO[C@H](CO1)[*:1] ClCc1nc2cccnc2n1C[*:1]
Cc1ccc(-n2nc(-c3noc(CCC(=O)N(C)Cc4ccccc4)n3)c(=O)n(C)c2=O)cc1 CN(Cc1ccccc1)C(=O)[*:1] Cc1ccc(cc1)-n1nc(-c2noc(CC[*:1])n2)c(=O)n(C)c1=O
Cc1ccc(-n2nc(-c3noc(CCC(=O)N(C)Cc4ccccc4)n3)c(=O)n(C)c2=O)cc1 Cc1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)CCc1nc(no1)-c1nn(c(=O)n(C)c1=O)[*:1]
Cc1ccc(-n2nc(-c3noc(CCC(=O)N(C)Cc4ccccc4)n3)c(=O)n(C)c2=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1nc(-c2noc(CCC(=O)N(C)[*:1])n2)c(=O)n(C)c1=O
Cc1ccc(-n2nc(-c3noc(CCC(=O)N(C)Cc4ccccc4)n3)c(=O)n(C)c2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc(-c2noc(CCC(=O)N(C)C[*:1])n2)c(=O)n(C)c1=O
N/C(Cc1ccccc1)=N/O[C@H]1CCN(C2CC2)C1=O c1ccc(cc1)[*:1] N/C(C[*:1])=N/O[C@H]1CCN(C1=O)C1CC1
N/C(Cc1ccccc1)=N/O[C@H]1CCN(C2CC2)C1=O C1CC1[*:1] N/C(Cc1ccccc1)=N/O[C@H]1CCN(C1=O)[*:1]
Cc1cc(C)cc(O[C@@H](C)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](O[*:1])C(=O)N/N=C/c1cccc(c1)[N+](=O)[O-]
Cc1cc(C)cc(O[C@@H](C)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)O[C@@H](C)C(=O)N/N=C/c1cccc(c1)[*:1]
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc(C(N)=O)c1 c1ccc(cc1)[*:1] Cc1oc(nc1CC(=O)Nc1cccc(c1)C(N)=O)[*:1]
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc(C(N)=O)c1 NC(=O)[*:1] Cc1oc(nc1CC(=O)Nc1cccc(c1)[*:1])-c1ccccc1
Cc1ccccc1SCC(=O)N1CCC2(CCNC(=O)CC2)CC1 Cc1ccccc1S[*:1] O=C1CCC2(CCN1)CCN(CC2)C(=O)C[*:1]
Cc1ccccc1SCC(=O)N1CCC2(CCNC(=O)CC2)CC1 Cc1ccccc1[*:1] O=C1CCC2(CCN1)CCN(CC2)C(=O)CS[*:1]
C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)CCc1nc(no1)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)CCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
COc1ccccc1[C@H](N[C@H]1CCN(C(C)C)C1=O)c1ccccc1Cl COc1ccccc1[*:1] CC(C)N1CC[C@H](N[C@H](c2ccccc2Cl)[*:1])C1=O
COc1ccccc1[C@H](N[C@H]1CCN(C(C)C)C1=O)c1ccccc1Cl CC(C)[*:1] COc1ccccc1[C@H](N[C@H]1CCN(C1=O)[*:1])c1ccccc1Cl
COc1ccccc1[C@H](N[C@H]1CCN(C(C)C)C1=O)c1ccccc1Cl Clc1ccccc1[*:1] COc1ccccc1[C@H](N[C@H]1CCN(C1=O)C(C)C)[*:1]
CCOc1ccccc1-c1noc(-c2cn(CC)c3cc(N4CCOCC4)c(F)cc3c2=O)n1 C1CN(CCO1)[*:1] CCOc1ccccc1-c1noc(n1)-c1cn(CC)c2cc(c(F)cc2c1=O)[*:1]
CCOc1ccccc1-c1noc(-c2cn(CC)c3cc(N4CCOCC4)c(F)cc3c2=O)n1 CCO[*:1] CCn1cc(-c2nc(no2)-c2ccccc2[*:1])c(=O)c2cc(F)c(cc21)N1CCOCC1
CCOc1ccccc1-c1noc(-c2cn(CC)c3cc(N4CCOCC4)c(F)cc3c2=O)n1 CCOc1ccccc1[*:1] CCn1cc(-c2nc(no2)[*:1])c(=O)c2cc(F)c(cc21)N1CCOCC1
COc1ccc([C@H](CNCc2ccc(F)cc2F)N(C)C)cc1 CN(C)[*:1] COc1ccc(cc1)[C@H](CNCc1ccc(F)cc1F)[*:1]
O=C(NC[C@H](O)c1ccc2ccccc2c1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(NC[C@H](O)c1ccc2ccccc2c1)N[*:1]
O=C(NC[C@H](O)c1ccc2ccccc2c1)NCC(F)(F)F FC(F)(F)[*:1] O=C(NC[C@H](O)c1ccc2ccccc2c1)NC[*:1]
O=C(CNc1ccc(C(F)(F)F)cn1)N1CCCC1 FC(F)(F)[*:1] O=C(CNc1ccc(cn1)[*:1])N1CCCC1
Cc1cccc(CN2CCN(C(=O)NCCCCn3cnnc3)CC2)c1 c1nncn1CCC[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)NC[*:1]
Cc1cccc(CN2CCN(C(=O)NCCCCn3cnnc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCCCCn1cnnc1)N1CCN(CC1)C[*:1]
Cc1cccc(CN2CCN(C(=O)NCCCCn3cnnc3)CC2)c1 Cc1cccc(c1)C[*:1] O=C(NCCCCn1cnnc1)N1CCN(CC1)[*:1]
Cc1cccc(CN2CCN(C(=O)NCCCCn3cnnc3)CC2)c1 c1nncn1C[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)NCCC[*:1]
Cc1cccc(CN2CCN(C(=O)NCCCCn3cnnc3)CC2)c1 c1nncn1[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)NCCCC[*:1]
Cc1cccc(CN2CCN(C(=O)NCCCCn3cnnc3)CC2)c1 c1nncn1CC[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)NCC[*:1]
O=C(CN1CCN(C(=O)[C@@]23CNC[C@@H]2C[NH2+]C3)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(N1CCN(CC1)C[*:1])[C@@]12CNC[C@@H]1C[NH2+]C2
COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(cc1)[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)[*:1])c2ncnn21
COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)c2ccccc2[*:1])c2ncnn21
COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C[C@H](N(C(=O)c2ccccc2[N+](=O)[O-])c2ncnn21)[*:1]
COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@H](C[C@@H]1c1ccc(Cl)cc1)[*:1]
O=C(COc1ccccc1)NCCc1csc2ncnn12 c1ccc(cc1)[*:1] O=C(CO[*:1])NCCc1csc2ncnn12
O=C(COc1ccccc1)NCCc1csc2ncnn12 c1ccc(cc1)O[*:1] O=C(C[*:1])NCCc1csc2ncnn12
Cc1csc2nc(CSCCC(=O)Nc3ccccc3F)cc(=O)n12 Fc1ccccc1[*:1] Cc1csc2nc(cc(=O)n12)CSCCC(=O)N[*:1]
Cc1cc(C=O)ccc1SC[C@H](O)CO OC[C@@H](O)C[*:1] Cc1cc(C=O)ccc1S[*:1]
Cc1cc(C=O)ccc1SC[C@H](O)CO OC[C@@H](O)[*:1] Cc1cc(C=O)ccc1SC[*:1]
Cc1ccc(N/C=C2/C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1F Cc1ccc(cc1F)N[*:1] O=C1C(=C[*:1])S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21
Cc1ccc(N/C=C2/C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1F Fc1cccc(c1)C[*:1] Cc1ccc(cc1F)N/C=C1/C(=O)c2sccc2N(S1(=O)=O)[*:1]
Cc1ccc(N/C=C2/C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1F Cc1ccc(cc1F)[*:1] O=C1/C(=C/N[*:1])S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21
Cc1ccc(N/C=C2/C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1F Fc1cccc(c1)[*:1] Cc1ccc(cc1F)N/C=C1/C(=O)c2sccc2N(C[*:1])S1(=O)=O
CCCC(=O)Nc1ccc(CNC(=O)NOC2CCCC2)cc1 CCCC(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])NOC1CCCC1
CCCC(=O)Nc1ccc(CNC(=O)NOC2CCCC2)cc1 CCC[*:1] O=C(NCc1ccc(cc1)NC(=O)[*:1])NOC1CCCC1
CCCC(=O)Nc1ccc(CNC(=O)NOC2CCCC2)cc1 C1CCC(C1)[*:1] CCCC(=O)Nc1ccc(cc1)CNC(=O)NO[*:1]
Cc1nc2ccccc2n1CCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] Cc1nc2ccccc2n1CCNC(=O)[C@H]1CC(=O)N(C1)C[*:1]
Cc1nc2ccccc2n1CCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 Cc1nc2ccccc2n1CCNC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1cccc(CNC(=O)N[C@@H](C)CSC)c1OC CSC[*:1] COc1cccc(CNC(=O)N[C@@H](C)[*:1])c1OC
CC1CCN(C(=O)c2occc2CSc2ccccc2)CC1 c1ccc(cc1)S[*:1] CC1CCN(CC1)C(=O)c1occc1C[*:1]
CC1CCN(C(=O)c2occc2CSc2ccccc2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1occc1CS[*:1]
C[C@H](CNC(=O)Nc1c[nH]nc1-c1ccccn1)c1ccc(F)cc1F c1ccc(nc1)[*:1] C[C@H](CNC(=O)Nc1c[nH]nc1[*:1])c1ccc(F)cc1F
C[C@H](CNC(=O)Nc1c[nH]nc1-c1ccccn1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H](CNC(=O)Nc1c[nH]nc1-c1ccccn1)[*:1]
CO[C@H](CNC(=O)CSC)c1cccc(Cl)c1 CSC[*:1] CO[C@H](CNC(=O)[*:1])c1cccc(Cl)c1
CC(C)[C@@H](C)[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C c1nc(n[nH]1)[*:1] CC(C)[C@@H](C)[NH2+][C@@H](c1nc(no1)[*:1])C(C)C
CC(C)[C@@H](C)[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C CC(C)[*:1] CC(C)[C@@H]([NH2+][C@H](C)[*:1])c1nc(no1)-c1nc[nH]n1
CC(C)[C@@H](C)[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C CC(C)[C@@H](C)[*:1] CC(C)[C@@H]([NH2+][*:1])c1nc(no1)-c1nc[nH]n1
CC(C)[C@@H](C)[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C CC(C)[*:1] CC(C)[C@@H](C)[NH2+][C@@H](c1nc(no1)-c1nc[nH]n1)[*:1]
CC[NH2+][C@@H](C)c1cnc(C(C)(C)OC)s1 COC(C)(C)[*:1] CC[NH2+][C@@H](C)c1cnc(s1)[*:1]
O=C(/C=C1/CS[C@H](c2ccccc2)N1)NCCC1=c2ccccc2=[NH+]C1 c1ccc(cc1)[*:1] O=C(/C=C1/CS[C@H](N1)[*:1])NCCC1C[NH+]=c2ccccc2=1
C[C@H]1CCc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C#N)c2C1 O=[N+]([O-])[*:1] C[C@H]1CCc2sc(NC(=O)c3ccc(cc3)[*:1])c(C#N)c2C1
CN(CC(=O)N[C@H](c1ccccc1F)c1nccn1C)S(C)(=O)=O Fc1ccccc1[*:1] CN(CC(=O)N[C@H](c1nccn1C)[*:1])S(C)(=O)=O
CN(CC(=O)N[C@H](c1ccccc1F)c1nccn1C)S(C)(=O)=O CN(C[*:1])S(C)(=O)=O Cn1ccnc1[C@H](NC(=O)[*:1])c1ccccc1F
CN(CC(=O)N[C@H](c1ccccc1F)c1nccn1C)S(C)(=O)=O Cn1ccnc1[*:1] CN(CC(=O)N[C@H](c1ccccc1F)[*:1])S(C)(=O)=O
CN(CC(=O)N[C@H](c1ccccc1F)c1nccn1C)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] Cn1ccnc1[C@H](NC(=O)C[*:1])c1ccccc1F
CC(C)Oc1ccc(C(=O)OCC(=O)NC2CC2)cc1 C1CC1[*:1] CC(C)Oc1ccc(cc1)C(=O)OCC(=O)N[*:1]
CC(C)Oc1ccc(C(=O)OCC(=O)NC2CC2)cc1 CC(C)O[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])NC1CC1
CC(C)Oc1ccc(C(=O)OCC(=O)NC2CC2)cc1 CC(C)[*:1] O=C(COC(=O)c1ccc(cc1)O[*:1])NC1CC1
CC(C)Oc1ccc(C(=O)OCC(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] CC(C)Oc1ccc(cc1)C(=O)OC[*:1]
N#CCSc1cccc(C(=O)N2CCN(Cc3ccccn3)CC2)c1 c1ccc(nc1)[*:1] N#CCSc1cccc(c1)C(=O)N1CCN(CC1)C[*:1]
N#CCSc1cccc(C(=O)N2CCN(Cc3ccccn3)CC2)c1 N#CC[*:1] O=C(c1cccc(c1)S[*:1])N1CCN(CC1)Cc1ccccn1
N#CCSc1cccc(C(=O)N2CCN(Cc3ccccn3)CC2)c1 N#CCS[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)Cc1ccccn1
N#CCSc1cccc(C(=O)N2CCN(Cc3ccccn3)CC2)c1 c1ccc(C[*:1])nc1 N#CCSc1cccc(c1)C(=O)N1CCN(CC1)[*:1]
CCn1cc(S(=O)(=O)[N-]c2ccc3ccn(CCOC)c3c2)cn1 CCn1cc(cn1)[*:1] COCCn1ccc2ccc(cc21)[N-]S(=O)(=O)[*:1]
CCn1cc(S(=O)(=O)[N-]c2ccc3ccn(CCOC)c3c2)cn1 COC[*:1] CCn1cc(cn1)S(=O)(=O)[N-]c1ccc2ccn(C[*:1])c2c1
CCn1cc(S(=O)(=O)[N-]c2ccc3ccn(CCOC)c3c2)cn1 COCC[*:1] CCn1cc(cn1)S(=O)(=O)[N-]c1ccc2ccn(c2c1)[*:1]
COc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)Oc1ccc(cc1)C(=O)[*:1]
COc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1OC O=C(c1ccccc1)[*:1] COc1ccc(cc1OC)C(=O)Oc1ccc(cc1)[*:1]
Cc1cccc(Oc2ccc(NC(=O)COc3ccc(C(N)=O)cc3)cc2)c1 Cc1cccc(c1)O[*:1] NC(=O)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(Oc2ccc(NC(=O)COc3ccc(C(N)=O)cc3)cc2)c1 NC(=O)[*:1] Cc1cccc(c1)Oc1ccc(cc1)NC(=O)COc1ccc(cc1)[*:1]
Cc1cccc(Oc2ccc(NC(=O)COc3ccc(C(N)=O)cc3)cc2)c1 NC(=O)c1ccc(cc1)[*:1] Cc1cccc(c1)Oc1ccc(cc1)NC(=O)CO[*:1]
Cc1cccc(Oc2ccc(NC(=O)COc3ccc(C(N)=O)cc3)cc2)c1 Cc1cccc(c1)[*:1] NC(=O)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(/C=C/C(=O)Nc2ccccc2I)c(OC)c1 Ic1ccccc1[*:1] COc1ccc(/C=C/C(=O)N[*:1])c(c1)OC
CCC[NH2+][C@H](Cc1ccccn1)Cc1nc(C)c(C)s1 CCC[*:1] Cc1nc(C[C@@H](Cc2ccccn2)[NH2+][*:1])sc1C
CCC[NH2+][C@H](Cc1ccccn1)Cc1nc(C)c(C)s1 c1ccc(nc1)[*:1] CCC[NH2+][C@@H](Cc1nc(C)c(C)s1)C[*:1]
O=C(COC(=O)COc1ccc(I)cc1)Nc1cccc(Br)c1 Ic1ccc(cc1)[*:1] O=C(COC(=O)CO[*:1])Nc1cccc(Br)c1
O=C(COC(=O)COc1ccc(I)cc1)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(COC(=O)COc1ccc(I)cc1)N[*:1]
CCc1ccc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)cc1 Cc1ncn(c1C)[*:1] CCc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(nc(C)n1)[*:1]
CCc1ccc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)cc1 CCc1ccc(cc1)[*:1] Cc1nc(cc(n1)-n1cnc(C)c1C)N1CCN(CC1)C(=O)[*:1]
COc1ccc([C@H](CNC(=O)c2cc3ccc(OC)cc3nc2C)[NH+]2CCCCC2)cc1 COc1ccc(cc1)[*:1] COc1ccc2cc(C(=O)NC[C@H]([NH+]3CCCCC3)[*:1])c(C)nc2c1
CCc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)on1 c1ccc(cc1)[*:1] CCc1cc(CNC(=O)[C@@H]2C[C@@H]2[*:1])on1
CCO[C@@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(C)cc2Cl)C1 CCO[*:1] Cc1ccc(NC(=O)CCNC(=O)N2CCC[C@H](C2)[*:1])c(Cl)c1
CCO[C@@H]1CCCN(C(=O)NCCC(=O)Nc2ccc(C)cc2Cl)C1 Cc1ccc(c(Cl)c1)[*:1] CCO[C@@H]1CCCN(C1)C(=O)NCCC(=O)N[*:1]
C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(c(F)c1)[*:1]
CCc1cccc(CC)c1NC(=O)NCCNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1cccc(CC)c1NC(=O)NCCNC(=O)[*:1]
CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)C1 C1CCC(C1)[*:1] CS(=O)(=O)N[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)S(=O)(=O)[*:1]
CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)C1 O=S(=O)(C1CCCC1)[*:1] CS(=O)(=O)N[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)[*:1]
CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)C1 CS(=O)(=O)N[*:1] O=C(Nc1cccc(c1)S(=O)(=O)C1CCCC1)N1CCC[C@@H](C1)[*:1]
Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)Nc1ccc(Cl)cn1 O=[N+]([O-])[*:1] Cc1nc(c(Br)n1CC(=O)Nc1ccc(Cl)cn1)[*:1]
Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] Cc1nc(c(Br)n1CC(=O)N[*:1])[N+](=O)[O-]
COC(=O)[C@]1(F)CCN(C(=O)[C@H]2Cc3cccc(F)c3O2)C1 COC(=O)[*:1] O=C([C@H]1Cc2cccc(F)c2O1)N1CC[C@@](F)(C1)[*:1]
Cc1ccn2cc(C(=O)Nc3cccc(Cn4ccnc4)c3)nc2c1 c1cn(cn1)C[*:1] Cc1ccn2cc(nc2c1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccn2cc(C(=O)Nc3cccc(Cn4ccnc4)c3)nc2c1 c1cn(cn1)[*:1] Cc1ccn2cc(nc2c1)C(=O)Nc1cccc(c1)C[*:1]
O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=c1ccc2c(CCC[C@@H]2[NH2+]C[C@H](O)CS(=O)(=O)[*:1])[nH]1
O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 O=S(=O)(c1cccs1)[*:1] O=c1ccc2c(CCC[C@@H]2[NH2+]C[C@H](O)C[*:1])[nH]1
Cc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccccc4)C4CC4)cc3)o2)c1 Cc1cccc(c1)[*:1] O=C(c1ccc(cc1)-c1nnc(o1)[*:1])N(Cc1ccccc1)C1CC1
Cc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccccc4)C4CC4)cc3)o2)c1 C1CC1[*:1] Cc1cccc(c1)-c1nnc(o1)-c1ccc(cc1)C(=O)N(Cc1ccccc1)[*:1]
Cc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccccc4)C4CC4)cc3)o2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)-c1nnc(o1)-c1ccc(cc1)C(=O)N(C1CC1)[*:1]
Cc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccccc4)C4CC4)cc3)o2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1nnc(o1)-c1ccc(cc1)C(=O)N(C[*:1])C1CC1
O=C(NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(NCCC1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)N[*:1]
O=C(NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1Br Fc1ccc(cc1)[*:1] O=C(NCCC1CCN(CC1)S(=O)(=O)[*:1])Nc1ccccc1Br
O=C(Nc1ccccc1C(=O)N1CCCCC1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1ccccc1C(=O)N1CCCCC1)N[*:1]
CC(C)[NH2+]CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 CC(C)[*:1] O=C(C[NH2+][*:1])Nc1cccc(c1)C(=O)N1CCOCC1
CC(C)(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 CC(C)(C)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)[*:1]
CC(C)(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 Clc1ccc(cc1)[*:1] CC(C)(C)C(=O)N[C@H](c1cccnc1)[*:1]
CC(C)(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 c1cncc(c1)[*:1] CC(C)(C)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CC(C)(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 CC(C)(C)C(=O)N[*:1] Clc1ccc(cc1)[C@H](c1cccnc1)[*:1]
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccnc1Sc1ccccc1 c1ccc(cc1)S[*:1] CCN(CC(=O)Nc1ccc2OCCOc2c1)C(=O)c1cccnc1[*:1]
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccnc1Sc1ccccc1 c1ccc(cc1)[*:1] CCN(CC(=O)Nc1ccc2OCCOc2c1)C(=O)c1cccnc1S[*:1]
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccnc1Sc1ccccc1 c1cc2OCCOc2cc1[*:1] CCN(CC(=O)N[*:1])C(=O)c1cccnc1Sc1ccccc1
NC(=O)c1ccc(CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)cc1 NC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@@H]1CCCc2ccc(F)cc21
Cc1cc(C)c(C)c(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1C NS(=O)(=O)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)NCCc1ccc(cc1)[*:1]
COC(=O)c1ccc(/C=C/C(=O)OCC(=O)NC(N)=O)cc1 COC(=O)[*:1] NC(=O)NC(=O)COC(=O)/C=C/c1ccc(cc1)[*:1]
COC(=O)c1ccc(/C=C/C(=O)OCC(=O)NC(N)=O)cc1 NC(=O)NC(=O)C[*:1] COC(=O)c1ccc(/C=C/C(=O)O[*:1])cc1
COC(=O)c1ccc(/C=C/C(=O)OCC(=O)NC(N)=O)cc1 NC(=O)NC(=O)[*:1] COC(=O)c1ccc(/C=C/C(=O)OC[*:1])cc1
COc1cccc(/C=N/n2c(N3CCOCC3)nc3ccccc32)c1OC C1CN(CCO1)[*:1] COc1cccc(/C=N/n2c(nc3ccccc32)[*:1])c1OC
C[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C(=O)C[C@@H]([NH2+][C@H]1c1ccccc1)[*:1]
C[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C(=O)C[C@H]([NH2+][C@@H]1[*:1])c1ccccc1
Cc1cccc2sc(NC(=O)[C@@H]3C[C@@H]3C)nc12 C[C@H]1C[C@H]1[*:1] Cc1cccc2sc(nc12)NC(=O)[*:1]
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@](C)(C#N)C(C)C)n2n1 c1ccc(cc1)[*:1] Cc1cc(C)c2c(nc(SCC(=O)N[C@](C)(C#N)C(C)C)n2n1)[*:1]
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@](C)(C#N)C(C)C)n2n1 CC(C)[*:1] Cc1cc(C)c2c(nc(SCC(=O)N[C@](C)(C#N)[*:1])n2n1)-c1ccccc1
C[C@H]1CCC[C@](CNC(=O)c2csc(S(N)(=O)=O)c2)([NH+](C)C)C1 NS(=O)(=O)[*:1] C[C@H]1CCC[C@@](CNC(=O)c2csc(c2)[*:1])(C1)[NH+](C)C
COc1cc([C@H]2C/C(=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)NN2)cc(OC)c1OC C1CCC(CC1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1C/C(NN1)=C1\C(=O)NC(=O)N(C1=O)[*:1]
CC(C)C(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)C(=O)N1c2ccc(cc2C[C@@H]1[*:1])S(=O)(=O)N1CCOCC1
CC(C)C(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H]1Cc2cc(ccc2N1C(=O)[*:1])S(=O)(=O)N1CCOCC1
CCOc1ccc(F)c(C(=O)N2CCC[C@@H](CC(N)=O)C2)c1F NC(=O)C[*:1] CCOc1ccc(F)c(C(=O)N2CCC[C@@H](C2)[*:1])c1F
CCOc1ccc(F)c(C(=O)N2CCC[C@@H](CC(N)=O)C2)c1F NC(=O)[*:1] CCOc1ccc(F)c(C(=O)N2CCC[C@H](C2)C[*:1])c1F
CCOc1ccc(F)c(C(=O)N2CCC[C@@H](CC(N)=O)C2)c1F CCO[*:1] NC(=O)C[C@@H]1CCCN(C1)C(=O)c1c(F)ccc(c1F)[*:1]
O=C(CNc1ccc(-c2nnnn2C2CC2)cc1)N1CCc2ccccc2C1 C1CC1[*:1] O=C(CNc1ccc(cc1)-c1nnnn1[*:1])N1CCc2ccccc2C1
O=C(CNc1ccc(-c2nnnn2C2CC2)cc1)N1CCc2ccccc2C1 C1CC1n1nnnc1[*:1] O=C(CNc1ccc(cc1)[*:1])N1CCc2ccccc2C1
C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccnc1 C=CC[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)O[*:1])c1cccnc1
C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccnc1 C=CCOC(=O)[*:1] CC1Nc2nnnn2[C@@H](C=1[*:1])c1cccnc1
C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccnc1 c1cncc(c1)[*:1] C=CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1[*:1]
C[C@H](Oc1cccc(C[NH2+]C(C)(C)C)c1)[C@@H](C)O C[C@H]([C@@H](C)O)[*:1] CC(C)(C)[NH2+]Cc1cccc(c1)O[*:1]
C[C@H](Oc1cccc(C[NH2+]C(C)(C)C)c1)[C@@H](C)O C[C@H](O[*:1])[C@@H](C)O CC(C)(C)[NH2+]Cc1cccc(c1)[*:1]
C[C@H](Oc1cccc(C[NH2+]C(C)(C)C)c1)[C@@H](C)O CC(C)(C)[NH2+]C[*:1] C[C@H](Oc1cccc(c1)[*:1])[C@@H](C)O
C[C@H](Oc1cccc(C[NH2+]C(C)(C)C)c1)[C@@H](C)O CC(C)(C)[*:1] C[C@H](Oc1cccc(c1)C[NH2+][*:1])[C@@H](C)O
C[C@H](Oc1cccc(C[NH2+]C(C)(C)C)c1)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](Oc1cccc(c1)C[NH2+]C(C)(C)C)[*:1]
Cc1noc(NC(=O)c2cnc3sccn3c2=O)n1 Cc1noc(n1)[*:1] O=C(N[*:1])c1cnc2sccn2c1=O
O=C(Cc1csc(-c2ccoc2)n1)N1CC[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1ccoc1)N1CC[C@@H](C1)[*:1]
O=C(Cc1csc(-c2ccoc2)n1)N1CC[C@@H](c2ccccc2)C1 c1cc(co1)[*:1] O=C(Cc1csc(n1)[*:1])N1CC[C@H](C1)c1ccccc1
Nn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1cccs1 c1csc(c1)[*:1] Nn1c(nnc1[*:1])SCc1cc(Cl)c2OCCOc2c1
CN(CCn1cnnc1)C(=O)CSc1nnnn1C Cn1nnnc1[*:1] CN(CCn1cnnc1)C(=O)CS[*:1]
CN(CCn1cnnc1)C(=O)CSc1nnnn1C c1nncn1C[*:1] CN(C[*:1])C(=O)CSc1nnnn1C
CN(CCn1cnnc1)C(=O)CSc1nnnn1C c1nncn1[*:1] CN(CC[*:1])C(=O)CSc1nnnn1C
C[C@@H](O)[C@@H](C)S[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H](O)[C@@H](C)S[C@@H]1CCCN(C[*:1])C1=O
C[C@@H](O)[C@@H](C)S[C@@H]1CCCN(Cc2ccccc2)C1=O C[C@@H](O)[*:1] C[C@@H](S[C@@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 CC(=O)N[*:1] N#C[C@H](c1ccc(Cl)cc1)[*:1]
O=C(C[NH2+]CC(F)(F)F)Nc1ccccc1-n1cccn1 FC(F)(F)[*:1] O=C(C[NH2+]C[*:1])Nc1ccccc1-n1cccn1
O=C(C[NH2+]CC(F)(F)F)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] O=C(C[NH2+]CC(F)(F)F)Nc1ccccc1[*:1]
C[NH+](CCn1cnnc1)Cc1c(C(C)(C)C)nn(-c2ccccc2)c1Cl c1nncn1C[*:1] C[NH+](Cc1c(nn(-c2ccccc2)c1Cl)C(C)(C)C)C[*:1]
C[NH+](CCn1cnnc1)Cc1c(C(C)(C)C)nn(-c2ccccc2)c1Cl CC(C)(C)[*:1] C[NH+](CCn1cnnc1)Cc1c(nn(-c2ccccc2)c1Cl)[*:1]
C[NH+](CCn1cnnc1)Cc1c(C(C)(C)C)nn(-c2ccccc2)c1Cl c1nncn1[*:1] C[NH+](CC[*:1])Cc1c(nn(-c2ccccc2)c1Cl)C(C)(C)C
C[NH+](CCn1cnnc1)Cc1c(C(C)(C)C)nn(-c2ccccc2)c1Cl c1ccc(cc1)[*:1] C[NH+](CCn1cnnc1)Cc1c(nn(c1Cl)[*:1])C(C)(C)C
CN(c1ccc(C(=O)NCCC2CC[NH+](C)CC2)c(Cl)c1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] C[NH+]1CCC(CCNC(=O)c2ccc(cc2Cl)[*:1])CC1
Cc1c(S(=O)(=O)c2ccc(C(C)C)cc2)nnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])S(=O)(=O)c1ccc(cc1)C(C)C
Cc1c(S(=O)(=O)c2ccc(C(C)C)cc2)nnn1-c1ccc(Cl)cc1 CC(C)[*:1] Cc1c(nnn1-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)C1CCN(C(N)=O)CC1 C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)C1CCN(CC1)C(N)=O
CCN(C[C@H]1CCOC1)C(=O)C1CCN(C(N)=O)CC1 C1C[C@@H](CO1)C[*:1] CCN(C(=O)C1CCN(CC1)C(N)=O)[*:1]
CCN/C(NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)=[NH+]\CC CN(C)C(=O)[*:1] CCN/C(NC[C@@H]1CC[C@@H](O1)[*:1])=[NH+]\CC
CC(=O)Nc1n[nH]c(-c2ccccc2F)n1 CC(=O)N[*:1] Fc1ccccc1-c1nc(n[nH]1)[*:1]
C=CCc1ccccc1OCC(=O)Nc1ccc(OC)cc1 C=CC[*:1] COc1ccc(cc1)NC(=O)COc1ccccc1[*:1]
Cc1cccc(NC(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c1C Cc1cccc(c1C)[*:1] O=C1CCC2(CCN(CC2)C(=O)N[*:1])CN1C[C@H]1CCCO1
Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)o2)cc1 Cc1ccc(cc1)C[*:1] C[C@H]1CCC[C@H](NC(=O)c2ccc(C[S@](=O)[*:1])o2)[C@H]1C
Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)o2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](NC(=O)c2ccc(C[S@](=O)C[*:1])o2)[C@H]1C
C=CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] C=CCOC(=O)N[C@@H](C[*:1])C(=O)[O-]
C=CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] C=CCOC(=O)N[C@@H](Cc1ccccc1)[*:1]
C=CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] C=CC[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)[O-])O[*:1]
CC(C)CCNC(=O)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 CC(C)CC[*:1] O=C(Nc1cccc(c1)-c1nnc2CCCCCn21)C(=O)N[*:1]
CC(C)CCNC(=O)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 CC(C)C[*:1] O=C(NC[*:1])C(=O)Nc1cccc(c1)-c1nnc2CCCCCn21
CC(C)CCNC(=O)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 CC(C)[*:1] O=C(NCC[*:1])C(=O)Nc1cccc(c1)-c1nnc2CCCCCn21
COC(=O)c1ccc(C(=O)N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 COC(=O)[*:1] O=C(N[C@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(cc1)[*:1]
COc1cccc(CNC(=O)[C@@H](C)n2sc3ccccc3c2=O)c1 COc1cccc(c1)[*:1] C[C@H](C(=O)NC[*:1])n1sc2ccccc2c1=O
Cc1ccc(NC(=O)NC(=O)C[NH+]2CCCN(CC(F)F)CC2)cc1 FC(F)C[*:1] Cc1ccc(cc1)NC(=O)NC(=O)C[NH+]1CCCN(CC1)[*:1]
Cc1ccc(NC(=O)NC(=O)C[NH+]2CCCN(CC(F)F)CC2)cc1 FC(F)[*:1] Cc1ccc(cc1)NC(=O)NC(=O)C[NH+]1CCCN(CC1)C[*:1]
Cc1ccc(NC(=O)NC(=O)C[NH+]2CCCN(CC(F)F)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[NH+]1CCCN(CC1)CC(F)F)NC(=O)N[*:1]
N#C[C@@H]1C(=N)C(C#N)(C#N)[C@@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)[C@H]2CCCC=C12 Clc1ccc(cc1)[*:1] N#C[C@@H]1C(=N)C(C#N)(C#N)[C@@]2(C(=O)N(C[*:1])c3ccccc32)[C@H]2CCCC=C12
N#C[C@@H]1C(=N)C(C#N)(C#N)[C@@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)[C@H]2CCCC=C12 Clc1ccc(cc1)C[*:1] N#C[C@@H]1C(=N)C(C#N)(C#N)[C@@]2(C(=O)N(c3ccccc32)[*:1])[C@H]2CCCC=C12
N#Cc1ccc(OCCSCc2nccn2C(F)F)cc1 FC(F)[*:1] N#Cc1ccc(cc1)OCCSCc1nccn1[*:1]
CCC[NH2+][C@H](COCC)[C@H]1CSCCO1 CCO[*:1] CCC[NH2+][C@H](C[*:1])[C@H]1CSCCO1
CCC[NH2+][C@H](COCC)[C@H]1CSCCO1 CCOC[*:1] CCC[NH2+][C@H]([C@H]1CSCCO1)[*:1]
CCC[NH2+][C@H](COCC)[C@H]1CSCCO1 CCC[*:1] CCOC[C@@H]([NH2+][*:1])[C@H]1CSCCO1
Cn1ncc2c(NCc3cccc(Cl)c3)nc(N3CCCC3)nc21 Clc1cccc(c1)[*:1] Cn1ncc2c(nc(nc21)N1CCCC1)NC[*:1]
Cn1ncc2c(NCc3cccc(Cl)c3)nc(N3CCCC3)nc21 C1CCN(C1)[*:1] Cn1ncc2c(nc(nc21)[*:1])NCc1cccc(Cl)c1
Cn1ncc2c(NCc3cccc(Cl)c3)nc(N3CCCC3)nc21 Clc1cccc(c1)C[*:1] Cn1ncc2c(nc(nc21)N1CCCC1)N[*:1]
O=C1C[C@](CC(=O)N2CCC[C@H]2CO)(c2cccc(F)c2)C(=O)N1Cc1cccnc1 Fc1cccc(c1)[*:1] O=C1C[C@](CC(=O)N2CCC[C@H]2CO)(C(=O)N1Cc1cccnc1)[*:1]
O=C1C[C@](CC(=O)N2CCC[C@H]2CO)(c2cccc(F)c2)C(=O)N1Cc1cccnc1 c1cncc(c1)[*:1] O=C1C[C@@](CC(=O)N2CCC[C@H]2CO)(C(=O)N1C[*:1])c1cccc(F)c1
O=C1C[C@](CC(=O)N2CCC[C@H]2CO)(c2cccc(F)c2)C(=O)N1Cc1cccnc1 c1cncc(c1)C[*:1] O=C(C[C@@]1(CC(=O)N(C1=O)[*:1])c1cccc(F)c1)N1CCC[C@H]1CO
Cc1nc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)Cc1cccc(c1)OCC#N)[*:1]
Cc1nc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] N#CCOc1cccc(c1)CC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1nc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccccc2)n[nH]1 N#CC[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)Cc1cccc(c1)O[*:1])c1ccccc1
Cc1nc([C@@H](NC(=O)Cc2cccc(OCC#N)c2)c2ccccc2)n[nH]1 N#CCO[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)Cc1cccc(c1)[*:1])c1ccccc1
CS(=O)(=O)Cc1cccc(NC(=O)NCCc2ccccc2F)c1 Fc1ccccc1C[*:1] CS(=O)(=O)Cc1cccc(c1)NC(=O)NC[*:1]
CS(=O)(=O)Cc1cccc(NC(=O)NCCc2ccccc2F)c1 CS(=O)(=O)[*:1] O=C(NCCc1ccccc1F)Nc1cccc(c1)C[*:1]
CS(=O)(=O)Cc1cccc(NC(=O)NCCc2ccccc2F)c1 CS(=O)(=O)C[*:1] O=C(NCCc1ccccc1F)Nc1cccc(c1)[*:1]
CS(=O)(=O)Cc1cccc(NC(=O)NCCc2ccccc2F)c1 Fc1ccccc1[*:1] CS(=O)(=O)Cc1cccc(c1)NC(=O)NCC[*:1]
CCO[C@@H](C)C(=O)Nc1nc(-c2ccc(C)s2)ns1 CCO[C@@H](C)[*:1] Cc1ccc(s1)-c1nsc(n1)NC(=O)[*:1]
CCO[C@@H](C)C(=O)Nc1nc(-c2ccc(C)s2)ns1 Cc1ccc(s1)[*:1] CCO[C@@H](C)C(=O)Nc1nc(ns1)[*:1]
CCO[C@@H](C)C(=O)Nc1nc(-c2ccc(C)s2)ns1 CCO[*:1] Cc1ccc(s1)-c1nsc(n1)NC(=O)[C@H](C)[*:1]
CSC[C@H](C)CNc1ncnc2c1CCCC2 CSC[C@H](C)[*:1] c1nc2CCCCc2c(n1)NC[*:1]
CSC[C@H](C)CNc1ncnc2c1CCCC2 CSC[*:1] C[C@H](CNc1ncnc2CCCCc21)[*:1]
CCC(C)(C)NC(=O)c1c(F)ccc(N)c1F CCC(C)(C)[*:1] Nc1ccc(F)c(C(=O)N[*:1])c1F
N#CCCN(CCC#N)C(=O)[C@@H]1SCCc2sccc21 N#CCC[*:1] N#CCCN(C(=O)[C@@H]1SCCc2sccc21)[*:1]
N#CCCN(CCC#N)C(=O)[C@@H]1SCCc2sccc21 N#CC[*:1] N#CCCN(C[*:1])C(=O)[C@@H]1SCCc2sccc21
O=C(/C=C/c1ccsc1)NCC[NH+]1CCN(c2ccccc2F)CC1 C(=C[*:1])c1ccsc1 O=C(NCC[NH+]1CCN(CC1)c1ccccc1F)[*:1]
O=C(/C=C/c1ccsc1)NCC[NH+]1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(/C=C/c1ccsc1)NCC[NH+]1CCN(CC1)[*:1]
O=C(/C=C/c1ccsc1)NCC[NH+]1CCN(c2ccccc2F)CC1 c1cc(cs1)[*:1] O=C(C=C[*:1])NCC[NH+]1CCN(CC1)c1ccccc1F
O=C(c1ccc(F)cc1)N1CCC[C@@H](OCc2cc(F)cc(F)c2)C1 Fc1cc(F)cc(c1)[*:1] O=C(c1ccc(F)cc1)N1CCC[C@H](C1)OC[*:1]
O=C(c1ccc(F)cc1)N1CCC[C@@H](OCc2cc(F)cc(F)c2)C1 Fc1ccc(cc1)[*:1] O=C(N1CCC[C@H](C1)OCc1cc(F)cc(F)c1)[*:1]
CC[C@@H](SC)C(=O)N[C@H](C)c1ccc(Cl)s1 CC[C@@H](SC)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(Cl)s1
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1)[*:1]
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1)c1cccs1 Fc1cc(ccc1Cl)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1cccs1
CNc1ccccc1N1C(=O)c2ccc(C(=O)NNc3ccc(O)cc3)cc2C1=O CNc1ccccc1[*:1] O=C(NNc1ccc(O)cc1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CNc1ccccc1N1C(=O)c2ccc(C(=O)NNc3ccc(O)cc3)cc2C1=O Oc1ccc(cc1)[*:1] CNc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)NN[*:1]
C/C(=C/C(=O)c1c([O-])cc(C)oc1=O)N(C)C CN(C)[*:1] CC(=CC(=O)c1c([O-])cc(C)oc1=O)[*:1]
CCOc1cccc([C@@H](O)C(C)(C)[NH+](CC)CC)c1 CCO[*:1] CC[NH+](CC)C(C)(C)[C@H](O)c1cccc(c1)[*:1]
O=C(O[C@@H]1CS(=O)(=O)C[C@H]1OC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(O[C@@H]1CS(=O)(=O)C[C@H]1OC(=O)[*:1])c1ccccc1
Cc1cc(-n2nc(C)c(C(=O)[O-])c2Cl)nc(C)n1 O=C([O-])[*:1] Cc1cc(nc(C)n1)-n1nc(C)c(c1Cl)[*:1]
CC[C@@H](NC(=O)NCCC[S@](C)=O)c1ccc(C)c(F)c1 C[S@](=O)CCC[*:1] CC[C@@H](NC(=O)N[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)NCCC[S@](C)=O)c1ccc(C)c(F)c1 C[S@](=O)[*:1] CC[C@@H](NC(=O)NCCC[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)NCCC[S@](C)=O)c1ccc(C)c(F)c1 C[S@](=O)CC[*:1] CC[C@@H](NC(=O)NC[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)NCCC[S@](C)=O)c1ccc(C)c(F)c1 C[S@](=O)C[*:1] CC[C@@H](NC(=O)NCC[*:1])c1ccc(C)c(F)c1
N/C(NC[C@@H]1CCOC1)=[NH+]\C1CC1 C1CC1[*:1] NC(NC[C@@H]1CCOC1)=[NH+][*:1]
CCc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)CCc1ccc2OCOc2c1
C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N(C)C Clc1ccc(cc1)S[*:1] C[C@H](C(=O)Nc1ccccc1C(=O)N(C)C)[*:1]
C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1[*:1]
C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N(C)C Clc1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)Nc1ccccc1C(=O)N(C)C
Cc1cc(Br)cc2cc(C(=O)N[C@@](C)(CC(C)C)C(N)=O)oc12 CC(C)[*:1] Cc1cc(Br)cc2cc(oc12)C(=O)N[C@@](C)(C[*:1])C(N)=O
Cc1cc(Br)cc2cc(C(=O)N[C@@](C)(CC(C)C)C(N)=O)oc12 NC(=O)[*:1] Cc1cc(Br)cc2cc(oc12)C(=O)N[C@@](C)(CC(C)C)[*:1]
Cc1cc(Br)cc2cc(C(=O)N[C@@](C)(CC(C)C)C(N)=O)oc12 CC(C)C[*:1] Cc1cc(Br)cc2cc(oc12)C(=O)N[C@@](C)(C(N)=O)[*:1]
O=C(CSc1ncnn1-c1ccccc1)Nc1nnc(C(F)(F)F)s1 c1ccc(cc1)[*:1] O=C(CSc1ncnn1[*:1])Nc1nnc(s1)C(F)(F)F
O=C(CSc1ncnn1-c1ccccc1)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] O=C(CSc1ncnn1-c1ccccc1)Nc1nnc(s1)[*:1]
CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1c(C)cc(C)cc1C CCC(=O)N[*:1] Cc1cc(C)c(Cn2c(nc3ccccc32)[C@@H](C)[*:1])c(C)c1
CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1c(C)cc(C)cc1C CCC(=O)N[C@H](C)[*:1] Cc1cc(C)c(Cn2c(nc3ccccc32)[*:1])c(C)c1
CCCc1cc(O)nc(S[C@@H](C)C(=O)NCC(C)C)n1 CC(C)[*:1] CCCc1cc(O)nc(n1)S[C@@H](C)C(=O)NC[*:1]
CCCc1cc(O)nc(S[C@@H](C)C(=O)NCC(C)C)n1 CCC[*:1] CC(C)CNC(=O)[C@H](C)Sc1nc(O)cc(n1)[*:1]
CCCc1cc(O)nc(S[C@@H](C)C(=O)NCC(C)C)n1 CC(C)C[*:1] CCCc1cc(O)nc(n1)S[C@@H](C)C(=O)N[*:1]
CCOc1ccccc1C(=O)NCC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 CCO[*:1] O=C(CNC(=O)c1ccccc1[*:1])Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2
CCOc1ccccc1C(=O)NCC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 CCOc1ccccc1[*:1] O=C(CNC(=O)[*:1])Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2
N#CC(c1cc([N+](=O)[O-])ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] N#CC(c1cc(ccc1Cl)[N+](=O)[O-])c1cc(ccc1Cl)[*:1]
COc1cc(CN2CCO[C@@H](c3cccc(F)c3)C2)cc(Cl)c1OC Fc1cccc(c1)[*:1] COc1cc(cc(Cl)c1OC)CN1CCO[C@@H](C1)[*:1]
C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1F O=C1CCCCN1C[*:1] C[C@@H](Nc1cccc(c1)[*:1])c1ccccc1F
C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1F Fc1ccccc1[*:1] C[C@@H](Nc1cccc(c1)CN1CCCCC1=O)[*:1]
C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1F O=C1CCCCN1[*:1] C[C@@H](Nc1cccc(c1)C[*:1])c1ccccc1F
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1 c1ccc(cc1)OC[*:1] COc1ccc(cc1NC(=O)[*:1])-c1ccc(CO)o1
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)CO[*:1])-c1ccc(CO)o1
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1 OCc1ccc(o1)[*:1] COc1ccc(cc1NC(=O)COc1ccccc1)[*:1]
COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1 c1ccc(cc1)O[*:1] COc1ccc(cc1NC(=O)C[*:1])-c1ccc(CO)o1
CCOc1ccc(NC(=O)c2cccc(-c3nnnn3C(C)C)c2)cc1 CC(C)n1nnnc1[*:1] CCOc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CCOc1ccc(NC(=O)c2cccc(-c3nnnn3C(C)C)c2)cc1 CCO[*:1] CC(C)n1nnnc1-c1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)c2cccc(-c3nnnn3C(C)C)c2)cc1 CC(C)[*:1] CCOc1ccc(cc1)NC(=O)c1cccc(c1)-c1nnnn1[*:1]
C[C@H](NC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])C(=O)N1CCCC[C@H]1C
CCOC(=O)c1ccc(-n2c(N)c(C#N)c3c(c2=S)COC(C)(C)C3)cc1 CCOC(=O)[*:1] CC1(C)Cc2c(C#N)c(N)n(-c3ccc(cc3)[*:1])c(=S)c2CO1
CSc1cccc(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)C(=O)N1CC[C@H](C1)C[*:1]
CSc1cccc(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 CSc1cccc(c1)[*:1] O=C(N[*:1])C(=O)N1CC[C@@H](Cc2ccccc2)C1
CSc1cccc(NC(=O)C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 c1ccc(cc1)C[*:1] CSc1cccc(c1)NC(=O)C(=O)N1CC[C@@H](C1)[*:1]
Cc1noc2ncn(CC(=O)c3ccccc3)c(=O)c12 c1ccc(cc1)[*:1] Cc1noc2ncn(CC(=O)[*:1])c(=O)c12
CC(C)N(C)C(=O)C1CC[NH+](Cc2cccc(-c3ccccc3F)c2)CC1 CC(C)[*:1] CN(C(=O)C1CC[NH+](CC1)Cc1cccc(c1)-c1ccccc1F)[*:1]
CC(C)N(C)C(=O)C1CC[NH+](Cc2cccc(-c3ccccc3F)c2)CC1 Fc1ccccc1[*:1] CC(C)N(C)C(=O)C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
CC(C)N(C)C(=O)C1CC[NH+](Cc2cccc(-c3ccccc3F)c2)CC1 CC(C)N(C)C(=O)[*:1] Fc1ccccc1-c1cccc(c1)C[NH+]1CCC(CC1)[*:1]
O=C(Nc1c(F)cc(F)cc1F)c1cnc(-c2cccs2)s1 c1csc(c1)[*:1] O=C(Nc1c(F)cc(F)cc1F)c1cnc(s1)[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)C(=O)c1ccccc1Cl
Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 c1coc(c1)[*:1] Cc1ccc2cc(CN(C[*:1])S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1
Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 c1coc(c1)C[*:1] Cc1ccc2cc(CN(S(=O)(=O)c3ccc(Cl)cc3)[*:1])c(=O)[nH]c2c1
Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 Clc1ccc(cc1)[*:1] Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)[*:1])c(=O)[nH]c2c1
CCN[C@](C)(C(=O)OCC)c1cc(F)c(C)cc1F CCOC(=O)[*:1] CCN[C@](C)(c1cc(F)c(C)cc1F)[*:1]
CCN[C@](C)(C(=O)OCC)c1cc(F)c(C)cc1F CCN[*:1] CCOC(=O)[C@@](C)(c1cc(F)c(C)cc1F)[*:1]
CNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNC(=O)CSc1nnc(n1-c1ccc(C)cc1)[*:1]
CNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNC(=O)CSc1nnc(-c2ccc(C)cc2)n1[*:1]
CNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 CNC(=O)C[*:1] Cc1ccc(cc1)-c1nnc(S[*:1])n1-c1ccc(C)cc1
CNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(cc1)-c1nnc(SC[*:1])n1-c1ccc(C)cc1
CNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 CNC(=O)CS[*:1] Cc1ccc(cc1)-c1nnc(n1-c1ccc(C)cc1)[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1c(F)cccc1Cl c1ccc2c(cccc2c1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@H]1c1c(F)cccc1Cl)[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@@H]1[*:1])-c1cccc2ccccc12
OCC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1cccs1 c1csc(c1)[*:1] OCC[C@@H]([NH2+]Cc1cnn(n1)-c1ccccc1)[*:1]
OCC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1cccs1 c1ccc(cc1)[*:1] OCC[C@@H]([NH2+]Cc1cnn(n1)[*:1])c1cccs1
OCC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)n1)c1cccs1 OCC[*:1] c1ccc(cc1)-n1ncc(C[NH2+][C@@H](c2cccs2)[*:1])n1
C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1coc(-c2cccs2)n1 Clc1ccc(cc1)[*:1] C[C@H](S(=O)(=O)Cc1coc(n1)-c1cccs1)[*:1]
C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1coc(-c2cccs2)n1 c1csc(c1)[*:1] C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1coc(n1)[*:1]
COc1ccc(F)cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C CC(C)[*:1] COc1ccc(F)cc1NC(=O)[C@@H](Oc1ccccc1C#N)[*:1]
COc1ccc(F)cc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C N#Cc1ccccc1[*:1] COc1ccc(F)cc1NC(=O)[C@@H](O[*:1])C(C)C
O=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 Clc1ccc(cc1)[*:1] O=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1CC(O)=Nc2c(cnn21)[*:1]
O=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 Fc1cc(cc(F)c1F)[*:1] O=C(N[*:1])[C@@H]1CC(O)=Nc2c(cnn21)-c1ccc(Cl)cc1
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc3c(c2)COC3)cc1 c1cc2COCc2cc1[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)N[*:1]
Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)CC[C@@H]3CCCO3)nc2c1 c1ccc(cc1)C[*:1] Cc1cc(C)c2sc(nc2c1)N(C(=O)CC[C@@H]1CCCO1)[*:1]
Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)CC[C@@H]3CCCO3)nc2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2sc(nc2c1)N(C[*:1])C(=O)CC[C@@H]1CCCO1
CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)cc(N2CCCCS2(=O)=O)cc1C O=S1(=O)CCCCN1[*:1] CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)cc(cc1C)[*:1]
CCOc1ccc(N(CCC#N)C(=O)Cc2ccc[nH]2)cc1 N#CC[*:1] CCOc1ccc(cc1)N(C[*:1])C(=O)Cc1ccc[nH]1
CCOc1ccc(N(CCC#N)C(=O)Cc2ccc[nH]2)cc1 c1c[nH]c(c1)[*:1] CCOc1ccc(cc1)N(CCC#N)C(=O)C[*:1]
CCOc1ccc(N(CCC#N)C(=O)Cc2ccc[nH]2)cc1 c1c[nH]c(c1)C[*:1] CCOc1ccc(cc1)N(CCC#N)C(=O)[*:1]
CCOc1ccc(N(CCC#N)C(=O)Cc2ccc[nH]2)cc1 N#CCC[*:1] CCOc1ccc(cc1)N(C(=O)Cc1ccc[nH]1)[*:1]
CCOc1ccc(N(CCC#N)C(=O)Cc2ccc[nH]2)cc1 CCO[*:1] N#CCCN(C(=O)Cc1ccc[nH]1)c1ccc(cc1)[*:1]
CC(=O)c1ccccc1C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] CC(=O)c1ccccc1C(=O)N1CCCN(CC1)C(=O)[*:1]
CC(=O)c1ccccc1C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 CC(=O)[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)c1ccccc1[*:1]
CCCCNC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 CCCC[*:1] O=C(NCCN1CCN(CC1)C(=O)N[*:1])c1ccccc1F
CCCCNC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CCCCNC(=O)N1CCN(CCNC(=O)[*:1])CC1
CCCCNC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 CCC[*:1] O=C(NCCN1CCN(CC1)C(=O)NC[*:1])c1ccccc1F
CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 O=C1CCCN1[*:1] CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(OC)c(c1)[*:1]
CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 CCO[*:1] COc1ccc(cc1N1CCCC1=O)NC(=O)[C@H]1C[C@@H]1[*:1]
COC(=O)c1ccc(/C=N/O[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 COC(=O)[*:1] C[C@H](O/N=C/c1ccc(cc1)[*:1])c1cccc(c1)[N+](=O)[O-]
COC(=O)c1ccc(/C=N/O[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(/C=N/O[C@@H](C)c2cccc(c2)[*:1])cc1
FC(F)(F)COCC[C@H](CCl)c1ccccc1Br FC(F)(F)[*:1] ClC[C@@H](CCOC[*:1])c1ccccc1Br
FC(F)(F)COCC[C@H](CCl)c1ccccc1Br FC(F)(F)CO[*:1] ClC[C@@H](CC[*:1])c1ccccc1Br
FC(F)(F)COCC[C@H](CCl)c1ccccc1Br FC(F)(F)C[*:1] ClC[C@@H](CCO[*:1])c1ccccc1Br
N#Cc1cnc(SCCOc2ccccc2)nc1N c1ccc(cc1)[*:1] N#Cc1cnc(nc1N)SCCO[*:1]
CC[C@H](C)[C@H](O)c1ccc(Br)cc1F CC[C@H](C)[*:1] O[C@H](c1ccc(Br)cc1F)[*:1]
Cn1nc(C(=O)N2CCc3ccccc3C2)cc1NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 Cn1nc(cc1[*:1])C(=O)N1CCc2ccccc2C1
Cn1nc(C(=O)N2CCc3ccccc3C2)cc1NC(=O)C1CCCC1 C1CCC(C1)[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)N1CCc2ccccc2C1
CC(C)(C)OC(=O)C1CCC(NC(=O)CSc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)CS[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)CSc2ccc(F)cc2)CC1 CC(C)(C)[*:1] O=C(CSc1ccc(F)cc1)NC1CCC(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)CSc2ccc(F)cc2)CC1 Fc1ccc(cc1)S[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)C[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)CSc2ccc(F)cc2)CC1 CC(C)(C)OC(=O)[*:1] O=C(CSc1ccc(F)cc1)NC1CCC(CC1)[*:1]
Cc1nc2ccccc2n1CCNC(=O)CCNC(=O)c1cccs1 O=C(N[*:1])c1cccs1 Cc1nc2ccccc2n1CCNC(=O)CC[*:1]
Cc1nc2ccccc2n1CCNC(=O)CCNC(=O)c1cccs1 c1csc(c1)[*:1] Cc1nc2ccccc2n1CCNC(=O)CCNC(=O)[*:1]
O=C(Nc1cc(-c2ccccc2)ns1)N1CCC[C@H](O)C1 c1ccc(cc1)[*:1] O=C(Nc1cc(ns1)[*:1])N1CCC[C@H](O)C1
Cn1ccnc1[C@H](O)c1c[nH]nc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1[C@H](O)c1c[nH]nc1[*:1]
Cn1ccnc1[C@H](O)c1c[nH]nc1-c1ccccc1 Cn1ccnc1[*:1] O[C@H](c1c[nH]nc1-c1ccccc1)[*:1]
CC(=O)c1ccc(NC(=O)Cc2csc(-c3cnccn3)n2)cc1C c1cnc(cn1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)Cc1csc(n1)[*:1]
CC(=O)c1ccc(NC(=O)Cc2csc(-c3cnccn3)n2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)Cc1csc(n1)-c1cnccn1
CCCC1CN(c2cc(N)ccc2F)C1 CCC[*:1] Nc1ccc(F)c(c1)N1CC(C1)[*:1]
C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cs1)C(=O)[O-] CN(C)S(=O)(=O)[*:1] C[C@H](NC(=O)c1cc(cs1)[*:1])C(=O)[O-]
C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cs1)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)c1cc(cs1)S(=O)(=O)N(C)C)[*:1]
CCc1ccc(S(=O)(=O)N2CCC(Oc3nc4c(C)cccc4s3)CC2)cc1 CCc1ccc(cc1)[*:1] Cc1cccc2sc(nc12)OC1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H]1OCC[C@H]1C(=O)N(CC(=O)N1CCCC1)C[*:1]
C[C@@H]1OCC[C@H]1C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 O=C(N1CCCC1)[*:1] C[C@@H]1OCC[C@H]1C(=O)N(C[C@@H]1CCCO1)C[*:1]
C[C@@H]1OCC[C@H]1C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H]1OCC[C@H]1C(=O)N(CC(=O)N1CCCC1)[*:1]
C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](C#N)CCC#N)C1=O N#CC[*:1] C[C@]1(NC(=O)N(C[C@H](C#N)C[*:1])C1=O)c1ccc(F)cc1
C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](C#N)CCC#N)C1=O Fc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(C[C@H](C#N)CCC#N)C1=O)[*:1]
C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](C#N)CCC#N)C1=O N#CCC[*:1] C[C@]1(NC(=O)N(C[C@H](C#N)[*:1])C1=O)c1ccc(F)cc1
CCN1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] CCN1CCN(CC1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1[*:1]
CC(C)[C@H](NC(=O)C=C1CCSCC1)c1nc(-c2ccncc2)no1 CC(C)[*:1] O=C(C=C1CCSCC1)N[C@H](c1nc(no1)-c1ccncc1)[*:1]
CC(C)[C@H](NC(=O)C=C1CCSCC1)c1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] CC(C)[C@H](NC(=O)C=C1CCSCC1)c1nc(no1)[*:1]
O=C(CCS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)(CC[*:1])Cc1cc(Cl)c2OCCOc2c1
O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 O=C(NCc1ccco1)[*:1] O=c1[nH]c2ccc(cc2o1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Cc1nc(C)c(C(=O)N2CCC(c3cc4c(C)cccc4cn3)CC2)o1 Cc1nc(C)c(o1)[*:1] Cc1cccc2cnc(cc12)C1CCN(CC1)C(=O)[*:1]
C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)CC1=O c1ccc(cc1)[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)NC[C@H]1CCO[C@H]1[*:1]
CCN(CC(C)C)C(=O)CC[C@@H](C)O CC(C)C[*:1] CCN(C(=O)CC[C@@H](C)O)[*:1]
CCN(CC(C)C)C(=O)CC[C@@H](C)O C[C@@H](O)[*:1] CCN(CC(C)C)C(=O)CC[*:1]
CCN(CC(C)C)C(=O)CC[C@@H](C)O CC(C)[*:1] CCN(C[*:1])C(=O)CC[C@@H](C)O
CCN(CC(C)C)C(=O)CC[C@@H](C)O C[C@@H](O)C[*:1] CCN(CC(C)C)C(=O)C[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)c1C c1cn2cc(nc2s1)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)c1C Cc1cc(C)c(C)c(c1C)[*:1] O=C(Cc1cn2ccsc2n1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)c1C c1cn2cc(C[*:1])nc2s1 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CNC(=O)NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 CNC(=O)NC(=O)[*:1] C[C@H](Sc1nc2sc3CCCCc3c2c(=O)n1-c1ccccc1)[*:1]
CNC(=O)NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@H](C)Sc1nc2sc3CCCCc3c2c(=O)n1[*:1]
Cc1csc([C@@H](C)NC(=O)[C@H](C)c2ccc(Br)s2)n1 Cc1csc(n1)[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])c1ccc(Br)s1
Cc1csc([C@@H](C)NC(=O)[C@H](C)c2ccc(Br)s2)n1 Brc1ccc(s1)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)[C@H](C)[*:1]
C=CCC1(CC=C)CNCC[NH2+]1 C=CC[*:1] C=CCC1(CNCC[NH2+]1)[*:1]
Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(F)cc1 c1ccc(cc1)C[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc1N(CCCn12)c1ccc(F)cc1
Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(F)cc1 c1ccc(cc1)[*:1] Cn1c(=O)n(CC[*:1])c(=O)c2c1nc1N(CCCn12)c1ccc(F)cc1
Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1N(CCCn12)[*:1]
Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(F)cc1 c1ccc(cc1)CC[*:1] Cn1c(=O)n(c(=O)c2c1nc1N(CCCn12)c1ccc(F)cc1)[*:1]
CO[C@H](C)C(=O)Oc1ccc2oc3c(c2c1)CCCC3 CO[C@H](C)[*:1] O=C(Oc1ccc2oc3CCCCc3c2c1)[*:1]
O=C(Cl)c1cc(Cl)cnc1Cl O=C(Cl)[*:1] Clc1cnc(Cl)c(c1)[*:1]
CCN(C[C@H]1CCCO1)c1nc(Cl)ncc1Cl C1CO[C@H](C1)[*:1] CCN(C[*:1])c1nc(Cl)ncc1Cl
O=S(=O)(Cc1ccon1)N1CCN(Cc2cnn3c2NCCC3)CC1 c1cc(C[*:1])no1 O=S(=O)(N1CCN(CC1)Cc1cnn2CCCNc12)[*:1]
O=S(=O)(Cc1ccon1)N1CCN(Cc2cnn3c2NCCC3)CC1 c1cc(no1)[*:1] O=S(=O)(C[*:1])N1CCN(CC1)Cc1cnn2CCCNc12
CC(=O)c1ccc(NC(=O)c2ccc(N(C)C)nc2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ccc(nc1)N(C)C
CC(=O)c1ccc(NC(=O)c2ccc(N(C)C)nc2)cc1C CN(C)[*:1] CC(=O)c1ccc(cc1C)NC(=O)c1ccc(nc1)[*:1]
O=C([O-])c1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 O=C([O-])[*:1] O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(c1)[*:1]
O=C([O-])c1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 O=C([O-])[*:1] O=C([O-])c1cccc(c1)S(=O)(=O)N[C@H](Cc1ccccc1)[*:1]
O=C([O-])c1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 c1ccc(cc1)[*:1] O=C([O-])c1cccc(c1)S(=O)(=O)N[C@H](C[*:1])C(=O)[O-]
O=C([O-])c1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 c1ccc(cc1)C[*:1] O=C([O-])c1cccc(c1)S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
CC(C)CCC(=O)NCc1ccc(C(=O)[O-])o1 CC(C)C[*:1] O=C(C[*:1])NCc1ccc(o1)C(=O)[O-]
CC(C)CCC(=O)NCc1ccc(C(=O)[O-])o1 CC(C)[*:1] O=C(CC[*:1])NCc1ccc(o1)C(=O)[O-]
CC(C)CCC(=O)NCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] CC(C)CCC(=O)NCc1ccc(o1)[*:1]
CC(C)CCC(=O)NCc1ccc(C(=O)[O-])o1 CC(C)CC[*:1] O=C([O-])c1ccc(CNC(=O)[*:1])o1
Cc1c(C(=O)NNC(=O)NC[C@H]2CCCO2)sc2ccc(F)cc12 C1CO[C@H](C1)[*:1] Cc1c(sc2ccc(F)cc12)C(=O)NNC(=O)NC[*:1]
Cc1c(C(=O)NNC(=O)NC[C@H]2CCCO2)sc2ccc(F)cc12 C1CO[C@H](C1)C[*:1] Cc1c(sc2ccc(F)cc12)C(=O)NNC(=O)N[*:1]
CC(=O)N[C@H]1C(=O)N(CCCOc2ccc3ccccc3c2)c2ccc(Cl)cc21 CC(=O)N[*:1] O=C1[C@@H](c2cc(Cl)ccc2N1CCCOc1ccc2ccccc2c1)[*:1]
O=C(CCc1ccccc1)NC[C@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1 c1ccc(cc1)[*:1] O=C(CC[*:1])NC[C@H]1CCCN(C1)C(=O)c1cccc(=O)[nH]1
O=C(CCc1ccccc1)NC[C@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1 c1ccc(cc1)CC[*:1] O=C(c1cccc(=O)[nH]1)N1CCC[C@H](CNC(=O)[*:1])C1
O=C(CCc1ccccc1)NC[C@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1 O=c1cccc([nH]1)[*:1] O=C(CCc1ccccc1)NC[C@H]1CCCN(C1)C(=O)[*:1]
O=C(CCc1ccccc1)NC[C@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1 c1ccc(cc1)C[*:1] O=C(C[*:1])NC[C@H]1CCCN(C1)C(=O)c1cccc(=O)[nH]1
CC(C)(NC(=O)CCc1ccco1)c1ccc(Cl)c(Cl)c1 c1coc(c1)C[*:1] CC(C)(NC(=O)C[*:1])c1ccc(Cl)c(Cl)c1
CC(C)(NC(=O)CCc1ccco1)c1ccc(Cl)c(Cl)c1 c1coc(c1)[*:1] CC(C)(NC(=O)CC[*:1])c1ccc(Cl)c(Cl)c1
CC(C)(NC(=O)CCc1ccco1)c1ccc(Cl)c(Cl)c1 c1coc(c1)CC[*:1] CC(C)(NC(=O)[*:1])c1ccc(Cl)c(Cl)c1
Cc1ccccc1NC(=O)C(=O)NCC1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] Cc1ccccc1NC(=O)C(=O)NCC1CCN(CC1)[*:1]
Cc1ccccc1NC(=O)C(=O)NCC1CCN(c2ncccn2)CC1 Cc1ccccc1[*:1] O=C(NCC1CCN(CC1)c1ncccn1)C(=O)N[*:1]
CCc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] CCc1ccc(o1)C(=O)/C=C/c1ccc(cc1)[*:1]
O=C(CSc1nc2ccccc2s1)Nc1ccccc1C(=O)NC1CC1 C1CC1[*:1] O=C(CSc1nc2ccccc2s1)Nc1ccccc1C(=O)N[*:1]
O=C(CSc1nc2ccccc2s1)Nc1ccccc1C(=O)NC1CC1 O=C(NC1CC1)[*:1] O=C(CSc1nc2ccccc2s1)Nc1ccccc1[*:1]
CC[C@H](C)[C@@H](C)NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl CC[C@H](C)[*:1] C[C@@H](NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)[*:1]
CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)c(Cl)c1 c1ccc(cc1)[*:1] CCCNC(=O)[C@H]1Sc2nnc(n2N[C@@H]1c1ccc(OC)c(Cl)c1)[*:1]
CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)c(Cl)c1 CCCNC(=O)[*:1] COc1ccc(cc1Cl)[C@H]1Nn2c(nnc2-c2ccccc2)S[C@@H]1[*:1]
CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)c(Cl)c1 COc1ccc(cc1Cl)[*:1] CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1[*:1]
CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)c(Cl)c1 CCC[*:1] COc1ccc(cc1Cl)[C@H]1Nn2c(nnc2-c2ccccc2)S[C@@H]1C(=O)N[*:1]
C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 C=CC[*:1] COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)N[*:1]
C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 C=CCNC(=O)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCC1)[*:1]
Cc1cc(N2CC[C@@H](SCc3ncoc3C(C)C)C2=O)n(C)n1 CC(C)[*:1] Cc1cc(N2CC[C@@H](SCc3ncoc3[*:1])C2=O)n(C)n1
Cc1cc(N2CC[C@@H](SCc3ncoc3C(C)C)C2=O)n(C)n1 Cc1cc(n(C)n1)[*:1] CC(C)c1ocnc1CS[C@@H]1CCN(C1=O)[*:1]
CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1 CNC(=O)[*:1] O=S(=O)(c1ccc2ccccc2c1)N1Cc2ccccc2C[C@@H]1[*:1]
CSc1ncccc1C(=O)N1CC(=O)N(Cc2cnn(C)c2)C[C@H](OCc2ccncc2)C1 c1cc(ccn1)[*:1] CSc1ncccc1C(=O)N1CC(=O)N(Cc2cnn(C)c2)C[C@@H](C1)OC[*:1]
CSc1ncccc1C(=O)N1CC(=O)N(Cc2cnn(C)c2)C[C@H](OCc2ccncc2)C1 c1cc(ccn1)CO[*:1] CSc1ncccc1C(=O)N1CC(=O)N(Cc2cnn(C)c2)C[C@H](C1)[*:1]
CSc1ncccc1C(=O)N1CC(=O)N(Cc2cnn(C)c2)C[C@H](OCc2ccncc2)C1 Cn1cc(cn1)[*:1] CSc1ncccc1C(=O)N1CC(=O)N(C[C@@H](C1)OCc1ccncc1)C[*:1]
CSc1ncccc1C(=O)N1CC(=O)N(Cc2cnn(C)c2)C[C@H](OCc2ccncc2)C1 Cn1cc(cn1)C[*:1] CSc1ncccc1C(=O)N1CC(=O)N(C[C@@H](C1)OCc1ccncc1)[*:1]
CSc1ncccc1C(=O)N1CC(=O)N(Cc2cnn(C)c2)C[C@H](OCc2ccncc2)C1 c1cc(ccn1)C[*:1] CSc1ncccc1C(=O)N1CC(=O)N(Cc2cnn(C)c2)C[C@@H](C1)O[*:1]
CSc1ncccc1C(=O)N1CC(=O)N(Cc2cnn(C)c2)C[C@H](OCc2ccncc2)C1 CSc1ncccc1[*:1] Cn1cc(cn1)CN1C[C@@H](CN(CC1=O)C(=O)[*:1])OCc1ccncc1
CCN(Cc1cccs1)C(=O)NCCC(=O)Nc1ccc(C)cc1Cl c1csc(c1)[*:1] CCN(C[*:1])C(=O)NCCC(=O)Nc1ccc(C)cc1Cl
CCN(Cc1cccs1)C(=O)NCCC(=O)Nc1ccc(C)cc1Cl Cc1ccc(c(Cl)c1)[*:1] CCN(Cc1cccs1)C(=O)NCCC(=O)N[*:1]
CCN(Cc1cccs1)C(=O)NCCC(=O)Nc1ccc(C)cc1Cl c1csc(c1)C[*:1] CCN(C(=O)NCCC(=O)Nc1ccc(C)cc1Cl)[*:1]
CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)C(C)C)ccc21 CCC[*:1] CC(C)C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2[*:1]
CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)C(C)C)ccc21 CC(C)C(=O)N[*:1] CCCn1c(C[NH+]2CCCCC2)nc2cc(ccc21)[*:1]
CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)C(C)C)ccc21 CC(C)[*:1] CCCn1c(C[NH+]2CCCCC2)nc2cc(ccc21)NC(=O)[*:1]
C[C@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)CCO1 Cn1cc(cn1)[*:1] C[C@H]1CN(CCNS(=O)(=O)[*:1])CCO1
C#CCOc1ccc(C(=O)OC(C)C)cc1 C#CC[*:1] CC(C)OC(=O)c1ccc(cc1)O[*:1]
C#CCOc1ccc(C(=O)OC(C)C)cc1 CC(C)[*:1] C#CCOc1ccc(cc1)C(=O)O[*:1]
C#CCOc1ccc(C(=O)OC(C)C)cc1 C#CCO[*:1] CC(C)OC(=O)c1ccc(cc1)[*:1]
CCC(C)(C)[C@H](Cl)[C@@H](C)c1ccncc1 CCC(C)(C)[*:1] C[C@@H](c1ccncc1)[C@@H](Cl)[*:1]
COc1cc(C=O)ccc1OCC(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(C=O)ccc1OCC(=O)N[C@H](C)[*:1]
Nc1cc(Br)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Nc1cc(Br)ccc1OC[*:1]
CCc1ccc(NC(=O)NCc2cccn2Cc2ccc(F)cc2)cc1 CCc1ccc(cc1)[*:1] O=C(NCc1cccn1Cc1ccc(F)cc1)N[*:1]
CCc1ccc(NC(=O)NCc2cccn2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)NCc1cccn1C[*:1]
CCc1ccc(NC(=O)NCc2cccn2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CCc1ccc(cc1)NC(=O)NCc1cccn1[*:1]
Cc1noc(C)c1CC(=O)OCC(=O)c1cc(C)n(-c2nccs2)c1C Cc1noc(C)c1[*:1] Cc1cc(C(=O)COC(=O)C[*:1])c(C)n1-c1nccs1
Cc1noc(C)c1CC(=O)OCC(=O)c1cc(C)n(-c2nccs2)c1C Cc1noc(C)c1C[*:1] Cc1cc(C(=O)COC(=O)[*:1])c(C)n1-c1nccs1
Cc1noc(C)c1CC(=O)OCC(=O)c1cc(C)n(-c2nccs2)c1C c1csc(n1)[*:1] Cc1noc(C)c1CC(=O)OCC(=O)c1cc(C)n(c1C)[*:1]
O=C([O-])[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)CCn1cccn1 c1cnn(c1)[*:1] O=C([O-])[C@H]1CC2(CCN(CC2)C(=O)C2CC2)CN1C(=O)CC[*:1]
O=C([O-])[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)CCn1cccn1 C1CC1[*:1] O=C([O-])[C@H]1CC2(CCN(CC2)C(=O)[*:1])CN1C(=O)CCn1cccn1
O=C([O-])[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)CCn1cccn1 O=C([O-])[*:1] O=C(C1CC1)N1CCC2(CC1)C[C@@H](N(C2)C(=O)CCn1cccn1)[*:1]
O=C([O-])[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)CCn1cccn1 c1cnn(c1)C[*:1] O=C([O-])[C@H]1CC2(CCN(CC2)C(=O)C2CC2)CN1C(=O)C[*:1]
O=C([O-])[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)CCn1cccn1 c1cnn(c1)CC[*:1] O=C([O-])[C@H]1CC2(CCN(CC2)C(=O)C2CC2)CN1C(=O)[*:1]
Cc1csc(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 Cc1csc(n1)[*:1] C[C@H](S[*:1])C(=O)N[C@@H]1CCS(=O)(=O)C1
Cc1cc(CSc2ncccc2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)no1 Cc1cc(C[*:1])no1 O=C(c1cccnc1S[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
Cc1cc(CSc2ncccc2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)no1 Cc1cc(CS[*:1])no1 O=C(c1cccnc1[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
Cc1cc(CSc2ncccc2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)no1 O=[N+]([O-])[*:1] Cc1cc(CSc2ncccc2C(=O)N2CCc3ccc(cc32)[*:1])no1
Cc1cc(CSc2ncccc2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)no1 Cc1cc(no1)[*:1] O=C(c1cccnc1SC[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
O=C([O-])[C@H]1C[C@H](O)CN1C(=O)c1ccccc1O O=C([O-])[*:1] O=C(c1ccccc1O)N1C[C@@H](O)C[C@@H]1[*:1]
C[C@H](Nc1ncnc2c1CCCCC2)c1ccccc1F Fc1ccccc1[*:1] C[C@H](Nc1ncnc2CCCCCc21)[*:1]
N#CCCCCS(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 N#CCCCC[*:1] O=S(=O)(N1CCc2sccc2[C@@H]1c1cccs1)[*:1]
N#CCCCCS(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 c1csc(c1)[*:1] N#CCCCCS(=O)(=O)N1CCc2sccc2[C@H]1[*:1]
N#CCCCCS(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 N#CC[*:1] O=S(=O)(CCC[*:1])N1CCc2sccc2[C@@H]1c1cccs1
N#CCCCCS(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 N#CCCC[*:1] O=S(=O)(C[*:1])N1CCc2sccc2[C@@H]1c1cccs1
N#CCCCCS(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 N#CCC[*:1] O=S(=O)(CC[*:1])N1CCc2sccc2[C@@H]1c1cccs1
CCc1cccc(CC)c1N1/C(=N/C(=O)CCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21 O=C([O-])[*:1] CCc1cccc(CC)c1N1/C(=N/C(=O)CC[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
CCc1cccc(CC)c1N1/C(=N/C(=O)CCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21 O=C([O-])C[*:1] CCc1cccc(CC)c1N1/C(=N/C(=O)C[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
CCc1cccc(CC)c1N1/C(=N/C(=O)CCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21 O=C([O-])CC[*:1] CCc1cccc(CC)c1N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
CC(C)[C@H](NCC(=O)N1CCCc2ccccc21)c1cccnc1 CC(C)[*:1] O=C(CN[C@H](c1cccnc1)[*:1])N1CCCc2ccccc21
CC(C)[C@H](NCC(=O)N1CCCc2ccccc21)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H](NCC(=O)N1CCCc2ccccc21)[*:1]
CC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@H]2c1ccccc1 c1ccc(cc1)[*:1] CC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2[*:1]
C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1noc(-c2ccsc2)n1 c1cc(cs1)[*:1] C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1noc(n1)[*:1]
C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1noc(-c2ccsc2)n1 C1CCC(CC1)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1noc(n1)-c1ccsc1
C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1ccncc1[N+](=O)[O-] c1ccc(cc1)[*:1] C[C@@H](CN1CCN(CC1)[*:1])Nc1ccncc1[N+](=O)[O-]
C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1ccncc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](CN1CCN(CC1)c1ccccc1)Nc1ccncc1[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)NCc1cccc(C(N)=O)c1 CC(C)[*:1] C[C@H]1CC[C@@H]([C@@H](C1)NC(=O)NCc1cccc(c1)C(N)=O)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)NCc1cccc(C(N)=O)c1 NC(=O)[*:1] CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)NCc1cccc(c1)[*:1]
Cc1cccc(CC(=O)OCC(=O)Nc2cc(C)ccc2C)c1 Cc1cccc(c1)[*:1] Cc1ccc(C)c(c1)NC(=O)COC(=O)C[*:1]
C[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)C(=O)Nc1cnn(c1)[*:1]
C/C(C=O)=C/c1ccc(OCC[NH+](C)C)cc1 CC(C=O)=C[*:1] C[NH+](C)CCOc1ccc(cc1)[*:1]
C[NH+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1cccs1 O=S(=O)(N1CCCC1)[*:1] C[NH+](CC(=O)Nc1cccc(c1)[*:1])Cc1cccs1
C[NH+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1cccs1 c1csc(c1)[*:1] C[NH+](CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCC1)C[*:1]
C(=C/c1ccccc1)\CN1CCC[C@H]([NH+]2CCCC2)C1 c1ccc(cc1)[*:1] C(=C[*:1])CN1CCC[C@@H](C1)[NH+]1CCCC1
COc1ncc([C@H](O)c2nccs2)cn1 c1csc(n1)[*:1] COc1ncc(cn1)[C@H](O)[*:1]
CN(C)C(=O)c1cccc(NCc2cc(C(=O)[O-])cs2)c1 CN(C)C(=O)[*:1] O=C([O-])c1csc(c1)CNc1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(NCc2cc(C(=O)[O-])cs2)c1 O=C([O-])[*:1] CN(C)C(=O)c1cccc(c1)NCc1cc(cs1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCOCC2)cc1 CC(C)[*:1] Cc1cccc(c1NC(=O)c1ccc(cc1)CN1CCOCC1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] Cc1cccc(c1NC(=O)c1ccc(cc1)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1cccc(c1NC(=O)c1ccc(cc1)C[*:1])C(C)C
CC[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CCOC1CCC1 O=C([O-])[*:1] CC[NH2+][C@@]1(CCC[C@H]1CCOC1CCC1)[*:1]
CC[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CCOC1CCC1 C1CC(C1)OC[*:1] CC[NH2+][C@@]1(CCC[C@H]1C[*:1])C(=O)[O-]
CC[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CCOC1CCC1 C1CC(C1)O[*:1] CC[NH2+][C@@]1(CCC[C@H]1CC[*:1])C(=O)[O-]
CC[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CCOC1CCC1 C1CC(C1)[*:1] CC[NH2+][C@@]1(CCC[C@H]1CCO[*:1])C(=O)[O-]
Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1C)NC(=O)Cc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C Cc1ccc(cc1C)[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)N1CCCCC1)N[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C1CC1)S(=O)(=O)c1ccc(cc1)NC(=O)NC[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1 CN(C1CC1)S(=O)(=O)[*:1] O=C(NCc1ccccc1)Nc1ccc(cc1)[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CN(C1CC1)S(=O)(=O)c1ccc(cc1)NC(=O)N[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2)cc1 C1CC1[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)NCc1ccccc1)[*:1]
C[C@H]1CN(c2ccc(CNC(=O)Nc3cccc(F)c3F)c[nH+]2)C[C@@H](C)O1 Fc1cccc(c1F)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
COC(=O)c1ccccc1NC(=O)c1oc2cc(OC)ccc2c1C COC(=O)[*:1] COc1ccc2c(C)c(oc2c1)C(=O)Nc1ccccc1[*:1]
Cc1ccnc(NNC(=O)[C@H]2CCOc3ccccc32)c1 Cc1ccnc(c1)[*:1] O=C(NN[*:1])[C@H]1CCOc2ccccc21
Cc1ccc(S(=O)(=O)/N=C(\CN2CCCC2)[N-]c2ccccc2I)cc1 C1CCN(C1)C[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(/[N-]c1ccccc1I)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\CN2CCCC2)[N-]c2ccccc2I)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\CN1CCCC1)[N-]c1ccccc1I)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\CN2CCCC2)[N-]c2ccccc2I)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\C[*:1])[N-]c1ccccc1I
Cc1cc(C)n(C[C@H](C)CNC(=O)NCc2sccc2C)n1 Cc1ccsc1[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)NC[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)NCc2sccc2C)n1 Cc1ccsc1C[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)N[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)NCc2sccc2C)n1 Cc1cc(C)n(n1)[*:1] Cc1ccsc1CNC(=O)NC[C@@H](C)C[*:1]
CCSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 CCS[*:1] O=c1c2c3CCCCc3sc2n2c(nnc2n1CCc1ccccc1)[*:1]
CCSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 c1ccc(cc1)[*:1] CCSc1nnc2n(CC[*:1])c(=O)c3c4CCCCc4sc3n12
CCSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 c1ccc(cc1)C[*:1] CCSc1nnc2n(C[*:1])c(=O)c3c4CCCCc4sc3n12
CCSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 c1ccc(cc1)CC[*:1] CCSc1nnc2n(c(=O)c3c4CCCCc4sc3n12)[*:1]
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O O=[N+]([O-])[*:1] COC(=O)[C@H](C)Oc1ccc2C(=O)/C(=C/c3cccc(c3)[*:1])Oc2c1
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O COC(=O)[*:1] C[C@H](Oc1ccc2C(=O)/C(=C/c3cccc(c3)[N+](=O)[O-])Oc2c1)[*:1]
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O O=[N+]([O-])c1cccc(c1)[*:1] COC(=O)[C@H](C)Oc1ccc2C(=O)C(=C[*:1])Oc2c1
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O COC(=O)[C@H](C)[*:1] O=C1/C(=C/c2cccc(c2)[N+](=O)[O-])Oc2cc(ccc21)O[*:1]
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O COC(=O)[C@H](C)O[*:1] O=C1/C(=C/c2cccc(c2)[N+](=O)[O-])Oc2cc(ccc21)[*:1]
Cc1cccc2nc(C(=O)N(Cc3ccco3)Cc3cccs3)cn12 c1csc(c1)C[*:1] Cc1cccc2nc(cn12)C(=O)N(Cc1ccco1)[*:1]
Cc1cccc2nc(C(=O)N(Cc3ccco3)Cc3cccs3)cn12 c1csc(c1)[*:1] Cc1cccc2nc(cn12)C(=O)N(Cc1ccco1)C[*:1]
Cc1cccc2nc(C(=O)N(Cc3ccco3)Cc3cccs3)cn12 c1coc(c1)C[*:1] Cc1cccc2nc(cn12)C(=O)N(Cc1cccs1)[*:1]
Cc1cccc2nc(C(=O)N(Cc3ccco3)Cc3cccs3)cn12 c1coc(c1)[*:1] Cc1cccc2nc(cn12)C(=O)N(Cc1cccs1)C[*:1]
CC/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)CO CCC(=C[*:1])CO O=[N+]([O-])c1cc2OCOc2cc1[*:1]
CC/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)CO O=[N+]([O-])[*:1] CC/C(=C\c1cc2OCOc2cc1[*:1])CO
CNC(=O)c1c(NC(=O)[C@@H]2CCOC2)sc2c1CCCC2 C1C[C@H](CO1)[*:1] CNC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
CNC(=O)c1c(NC(=O)[C@@H]2CCOC2)sc2c1CCCC2 CNC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])[C@@H]1CCOC1
CCC[NH2+][C@@H](C)c1ccnc(SCc2cccc(C)c2)c1 CCC[*:1] Cc1cccc(c1)CSc1cc(ccn1)[C@H](C)[NH2+][*:1]
CCC[NH2+][C@@H](C)c1ccnc(SCc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] CCC[NH2+][C@@H](C)c1ccnc(c1)SC[*:1]
CC(=O)c1ccccc1CC[C@H]1CCS(=O)(=O)C1 CC(=O)[*:1] O=S1(=O)CC[C@H](CCc2ccccc2[*:1])C1
CCO[C@H]1C[C@H]([NH2+]Cc2cscc2C)[C@]1(C)CC Cc1cscc1[*:1] CCO[C@H]1C[C@H]([NH2+]C[*:1])[C@]1(C)CC
CCO[C@H]1C[C@H]([NH2+]Cc2cscc2C)[C@]1(C)CC CCO[*:1] CC[C@@]1(C)[C@H](C[C@@H]1[*:1])[NH2+]Cc1cscc1C
CCCCN1C(=O)C2=C(CCCC2)[C@@H]1SCc1ccccc1 CCC[*:1] O=C1C2CCCCC=2[C@H](SCc2ccccc2)N1C[*:1]
CCCCN1C(=O)C2=C(CCCC2)[C@@H]1SCc1ccccc1 c1ccc(cc1)[*:1] CCCCN1C(=O)C2CCCCC=2[C@@H]1SC[*:1]
CCCCN1C(=O)C2=C(CCCC2)[C@@H]1SCc1ccccc1 CCCC[*:1] O=C1C2CCCCC=2[C@H](SCc2ccccc2)N1[*:1]
CCCCN1C(=O)C2=C(CCCC2)[C@@H]1SCc1ccccc1 c1ccc(cc1)C[*:1] CCCCN1C(=O)C2CCCCC=2[C@@H]1S[*:1]
Cc1ccnn1C[C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 Cc1ccnn1C[*:1] C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1)[*:1]
Cc1ccnn1C[C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 c1csc(c1)[*:1] Cc1ccnn1C[C@@H](C)C(=O)NC[C@H]([NH+]1CCCCCC1)[*:1]
Cc1ccnn1C[C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 Cc1ccnn1[*:1] C[C@H](C[*:1])C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1
Cc1cc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)[*:1]
Cc1cc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)[nH]n1 c1nnc(s1)[*:1] Cc1cc([nH]n1)C(=O)Nc1ccc(S[*:1])c(Cl)c1
Cc1cc(C(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)[nH]n1 c1nnc(S[*:1])s1 Cc1cc([nH]n1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CN1CCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c2cc(F)ccc21 C1CC1[*:1] CN1CCN(C(=O)[C@@H]2CCCN(C2)C(=O)[*:1])c2cc(F)ccc21
CNC(=O)c1cc(Cl)ccc1NC(=O)c1sc(CC(C)C)nc1C CNC(=O)[*:1] Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(Cl)cc1[*:1]
CNC(=O)c1cc(Cl)ccc1NC(=O)c1sc(CC(C)C)nc1C CC(C)C[*:1] CNC(=O)c1cc(Cl)ccc1NC(=O)c1sc(nc1C)[*:1]
CNC(=O)c1cc(Cl)ccc1NC(=O)c1sc(CC(C)C)nc1C CC(C)[*:1] CNC(=O)c1cc(Cl)ccc1NC(=O)c1sc(C[*:1])nc1C
Cc1cc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] CC(C)(C)c1nc(cs1)CN1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c(C)o1 CC(C)(C)[*:1] Cc1cc(C(=O)N2CCN(CC2)Cc2csc(n2)[*:1])c(C)o1
Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCc3cn[nH]c3)[C@@H]4C2=O)c1 Cc1cccc(c1)[*:1] CN(CCc1cn[nH]c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@@H]13)O2
Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCc3cn[nH]c3)[C@@H]4C2=O)c1 Cc1cccc(c1)C[*:1] CN(CCc1cn[nH]c1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCc3cn[nH]c3)[C@@H]4C2=O)c1 c1n[nH]cc1C[*:1] Cc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)C[*:1])[C@@H]3C1=O
Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCc3cn[nH]c3)[C@@H]4C2=O)c1 c1n[nH]cc1[*:1] Cc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)CC[*:1])[C@@H]3C1=O
Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)CCc3cn[nH]c3)[C@@H]4C2=O)c1 c1n[nH]cc1CC[*:1] Cc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)[*:1])[C@@H]3C1=O
NC(=S)[C@@H]1CN(c2ncccc2F)CCO1 NC(=S)[*:1] Fc1cccnc1N1CCO[C@@H](C1)[*:1]
C[C@@]1(C(=O)Nc2cc[nH]n2)CCCc2ccccc21 c1cc(n[nH]1)[*:1] C[C@]1(CCCc2ccccc21)C(=O)N[*:1]
C[C@@H](C#N)CC(=O)c1cccnc1 C[C@@H](C#N)[*:1] O=C(C[*:1])c1cccnc1
O=C(c1ccco1)N1CCC(C(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 c1coc(c1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCC[C@@H]2CCCC[C@H]21
COc1cc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1CC(=O)NC2CCCC(=O)C=21
COc1cc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1CC(=O)NC2CCCC(=O)C=21
COc1cc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(=O)NC2CCCC(=O)C=21
C[C@H](O)C[C@H](C)CNC(=O)NCC1(C(=O)N(C)C)CCCC1 C[C@H](O)[*:1] C[C@H](CNC(=O)NCC1(CCCC1)C(=O)N(C)C)C[*:1]
C[C@H](O)C[C@H](C)CNC(=O)NCC1(C(=O)N(C)C)CCCC1 C[C@H](O)C[*:1] C[C@H](CNC(=O)NCC1(CCCC1)C(=O)N(C)C)[*:1]
C[C@H](O)C[C@H](C)CNC(=O)NCC1(C(=O)N(C)C)CCCC1 CN(C)C(=O)[*:1] C[C@H](O)C[C@H](C)CNC(=O)NCC1(CCCC1)[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NC(C3CCCC3)C3CCCC3)C2)CC1 C1CCC(C1)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NC(C1CCCC1)[*:1]
Fc1cccc(NCc2cccn2-c2nnc(N3CCCCC3)s2)c1 C1CCN(CC1)[*:1] Fc1cccc(c1)NCc1cccn1-c1nnc(s1)[*:1]
Fc1cccc(NCc2cccn2-c2nnc(N3CCCCC3)s2)c1 Fc1cccc(c1)[*:1] c1cc(CN[*:1])n(c1)-c1nnc(s1)N1CCCCC1
Fc1cccc(NCc2cccn2-c2nnc(N3CCCCC3)s2)c1 Fc1cccc(c1)N[*:1] c1cc(C[*:1])n(c1)-c1nnc(s1)N1CCCCC1
Cc1ncccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 Cc1ncccc1[*:1] O=C(N[*:1])C(=O)N1CC[C@H](C1)[NH+]1CCCC1
CC[C@H](C)[C@@H]1CN(Cc2sccc2C)[C@H](C)C[NH2+]1 Cc1ccsc1[*:1] CC[C@H](C)[C@@H]1CN(C[*:1])[C@H](C)C[NH2+]1
CC[C@H](C)[C@@H]1CN(Cc2sccc2C)[C@H](C)C[NH2+]1 CC[C@H](C)[*:1] Cc1ccsc1CN1C[C@H]([NH2+]C[C@H]1C)[*:1]
O=C(Cn1ccc([C@@H](O)C2CC2)c1)NC1CC1 C1CC1[*:1] O=C(Cn1ccc(c1)[C@@H](O)C1CC1)N[*:1]
O=C(Cn1ccc([C@@H](O)C2CC2)c1)NC1CC1 O[C@@H](C1CC1)[*:1] O=C(Cn1ccc(c1)[*:1])NC1CC1
O=C(Cn1ccc([C@@H](O)C2CC2)c1)NC1CC1 C1CC1[*:1] O=C(Cn1ccc(c1)[C@@H](O)[*:1])NC1CC1
C[NH2+][C@]1(C(N)=O)CCC[C@@H](SCc2cc(C)cc(C)c2)C1 NC(=O)[*:1] C[NH2+][C@@]1(CCC[C@H](C1)SCc1cc(C)cc(C)c1)[*:1]
COc1ccc(-c2csc(CNCc3cccnc3)c2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)-c1csc(c1)CNC[*:1]
COc1ccc(-c2csc(CNCc3cccnc3)c2)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)-c1csc(c1)CN[*:1]
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)COc4cccc(C)c4)ccc3[nH+]2)CC1 Cc1cccc(c1)OC[*:1] CC[NH+]1CCN(CC1)c1cc(C)c2cc(ccc2[nH+]1)NC(=O)[*:1]
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)COc4cccc(C)c4)ccc3[nH+]2)CC1 Cc1cccc(c1)O[*:1] CC[NH+]1CCN(CC1)c1cc(C)c2cc(ccc2[nH+]1)NC(=O)C[*:1]
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)COc4cccc(C)c4)ccc3[nH+]2)CC1 Cc1cccc(c1)[*:1] CC[NH+]1CCN(CC1)c1cc(C)c2cc(ccc2[nH+]1)NC(=O)CO[*:1]
O=C(COC(=O)/C=C/c1cccc(Cl)c1)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] O=C(COC(=O)/C=C/c1cccc(Cl)c1)N[*:1]
O=C(COC(=O)/C=C/c1cccc(Cl)c1)Nc1ccc(Cl)cn1 Clc1cccc(c1)[*:1] O=C(COC(=O)C=C[*:1])Nc1ccc(Cl)cn1
COc1nc(C(=O)N(C)OC)cc2ccccc12 CON(C)C(=O)[*:1] COc1nc(cc2ccccc12)[*:1]
CC(C)(C)SCC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 CC(C)(C)S[*:1] O=C(C[*:1])Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1
CC(C)(C)SCC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 CC(C)(C)SC[*:1] O=C(c1ccc(cc1Cl)NC(=O)[*:1])N1CCOCC1
CC(C)(C)SCC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 O=C(N1CCOCC1)[*:1] CC(C)(C)SCC(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(C)(C)SCC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 CC(C)(C)[*:1] O=C(CS[*:1])Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1
CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1)c1ccccc1 Cc1cccc(c1)[*:1] CC[C@H](NC(=O)[C@@H](CC)O[*:1])c1ccccc1
CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(C#N)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)OC(=O)c1ccc(C#N)cc1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)OC(=O)[*:1])S(=O)(=O)N(C)C
Nc1ccc(SCc2nc(-c3ccco3)no2)c(F)c1 c1coc(c1)[*:1] Nc1ccc(SCc2nc(no2)[*:1])c(F)c1
CN(C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)[C@H]1CCCc2ccccc21 Fc1ccc(cc1)[*:1] CN(C(=O)Cn1cnc2scc(c2c1=O)[*:1])[C@H]1CCCc2ccccc21
CC(C)c1ccccc1NC(=O)CN[C@@H](C)c1ccccc1 CC(C)[*:1] C[C@H](NCC(=O)Nc1ccccc1[*:1])c1ccccc1
CC(C)c1ccccc1NC(=O)CN[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)c1ccccc1NC(=O)CN[C@@H](C)[*:1]
Cc1cn(C)nc1C(=O)Nc1nc2c(s1)Cc1ccccc1-2 Cc1cn(C)nc1[*:1] O=C(Nc1nc2-c3ccccc3Cc2s1)[*:1]
C[NH2+][C@@H]1CCCCC[C@H]1c1nc(C(C)(C)OC)no1 COC(C)(C)[*:1] C[NH2+][C@@H]1CCCCC[C@H]1c1nc(no1)[*:1]
CC(C)n1c(CN2C[C@H](C)O[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C CC(C)[*:1] C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2[*:1])C[C@@H](C)O1
Cc1ccc(C[NH+](C)Cc2c([O-])[nH+]nn2-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(C[NH+](C)Cc2c([O-])[nH+]nn2[*:1])s1
Cc1ccc(C[NH+](C)Cc2c([O-])[nH+]nn2-c2ccccc2)s1 Cc1ccc(C[*:1])s1 C[NH+](Cc1c([O-])[nH+]nn1-c1ccccc1)[*:1]
Cc1ccc(C[NH+](C)Cc2c([O-])[nH+]nn2-c2ccccc2)s1 Cc1ccc(s1)[*:1] C[NH+](Cc1c([O-])[nH+]nn1-c1ccccc1)C[*:1]
COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 COC(=O)[C@@H](C)[*:1] O=C(Cc1ccccc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] COC(=O)[C@@H](C)N(C(=O)[*:1])[C@H]1CCS(=O)(=O)C1
COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)N(C(=O)C[*:1])[C@H]1CCS(=O)(=O)C1
COC(=O)[C@@H](C)N(C(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 COC(=O)[*:1] C[C@@H](N(C(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)[*:1]
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(-n2cccc2)ccc1F C1CO[C@H](C1)C[*:1] C[C@@H](O[*:1])C(=O)Nc1cc(ccc1F)-n1cccc1
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(-n2cccc2)ccc1F c1ccn(c1)[*:1] C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(ccc1F)[*:1]
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(-n2cccc2)ccc1F C1CO[C@H](C1)CO[*:1] C[C@@H](C(=O)Nc1cc(ccc1F)-n1cccc1)[*:1]
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(-n2cccc2)ccc1F C1CO[C@H](C1)[*:1] C[C@@H](OC[*:1])C(=O)Nc1cc(ccc1F)-n1cccc1
COc1ccc(N2C[C@H](C(=O)N3CCC(Oc4nc5cc(OC)ccc5s4)CC3)CC2=O)cc1 COc1ccc2sc(nc2c1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)O[*:1]
COc1ccc(N2C[C@H](C(=O)N3CCC(Oc4nc5cc(OC)ccc5s4)CC3)CC2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc2sc(nc2c1)OC1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C([O-])c1ccc2c(=O)n(CCc3c[nH]c4ccccc34)c(=O)[nH]c2c1 O=C([O-])[*:1] O=c1[nH]c2cc(ccc2c(=O)n1CCc1c[nH]c2ccccc12)[*:1]
CCCC1CCC(N2CCS(=O)(=O)CC2)CC1 CCC[*:1] O=S1(=O)CCN(CC1)C1CCC(CC1)[*:1]
COC(=O)[C@H]1CC=CC[C@@]1(C)C(=O)N[C@@H](C)c1ccccc1 COC(=O)[*:1] C[C@H](NC(=O)[C@]1(C)CC=CC[C@@H]1[*:1])c1ccccc1
COC(=O)[C@H]1CC=CC[C@@]1(C)C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H]1CC=CC[C@@]1(C)C(=O)N[C@@H](C)[*:1]
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc(C)c1OC O=C([O-])[*:1] COc1ccc(cc1NC(=S)NC(=O)c1cccc(C)c1OC)[*:1]
COc1ccc(O[C@H](C)C(=O)Nc2cccc(N3C(=O)NC[C@H]3C)c2)cc1 COc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)N1C(=O)NC[C@H]1C
COc1ccc(O[C@H](C)C(=O)Nc2cccc(N3C(=O)NC[C@H]3C)c2)cc1 COc1ccc(cc1)O[*:1] C[C@@H]1CNC(=O)N1c1cccc(c1)NC(=O)[C@@H](C)[*:1]
COc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)c(Cl)c1 CN(C)S(=O)(=O)[*:1] COc1ccc(NC(=O)c2ccc(F)c(c2)[*:1])c(Cl)c1
Cc1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)o1 Clc1ccc(cc1)C[*:1] Cc1nnc(NC(=O)c2ccccc2O[*:1])o1
Cc1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] Cc1nnc(NC(=O)c2ccccc2OC[*:1])o1
Cc1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)o1 Cc1nnc(o1)[*:1] O=C(N[*:1])c1ccccc1OCc1ccc(Cl)cc1
O=C(Oc1ccc2nccnc2c1)c1cccc(-n2cncn2)c1 c1ncn(n1)[*:1] O=C(Oc1ccc2nccnc2c1)c1cccc(c1)[*:1]
O=C(CCC1CCCC1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 C1CCC(C1)CC[*:1] O=C(N1CCCc2cc(ccc21)S(=O)(=O)N1CCCC1)[*:1]
O=C(CCC1CCCC1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 C1CCC(C1)[*:1] O=C(CC[*:1])N1CCCc2cc(ccc21)S(=O)(=O)N1CCCC1
O=C(CCC1CCCC1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 O=S(=O)(N1CCCC1)[*:1] O=C(CCC1CCCC1)N1CCCc2cc(ccc21)[*:1]
O=C(CCC1CCCC1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 C1CCC(C1)C[*:1] O=C(C[*:1])N1CCCc2cc(ccc21)S(=O)(=O)N1CCCC1
COc1cccc(-c2nc(C(=O)O[C@@H](C)CNC(C)=O)c(C)[nH]2)c1 CC(=O)NC[*:1] COc1cccc(c1)-c1nc(C(=O)O[C@@H](C)[*:1])c(C)[nH]1
COc1cccc(-c2nc(C(=O)O[C@@H](C)CNC(C)=O)c(C)[nH]2)c1 COc1cccc(c1)[*:1] CC(=O)NC[C@H](C)OC(=O)c1nc([nH]c1C)[*:1]
COc1cccc(-c2nc(C(=O)O[C@@H](C)CNC(C)=O)c(C)[nH]2)c1 CC(=O)N[*:1] COc1cccc(c1)-c1nc(C(=O)O[C@@H](C)C[*:1])c(C)[nH]1
Cc1cccc(Cl)c1NC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3 Cc1cccc(Cl)c1[*:1] O=C(CSc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1)N[*:1]
Cc1cccc(Cl)c1NC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3 c1coc(c1)[*:1] Cc1cccc(Cl)c1NC(=O)CSc1nc2cc3OCOc3cc2c(=O)n1C[*:1]
Cc1cccc(Cl)c1NC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3 Cc1cccc(Cl)c1NC(=O)[*:1] O=c1c2cc3OCOc3cc2nc(SC[*:1])n1Cc1ccco1
Cc1cccc(Cl)c1NC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3 c1coc(c1)C[*:1] Cc1cccc(Cl)c1NC(=O)CSc1nc2cc3OCOc3cc2c(=O)n1[*:1]
CC1=C(C(N)=O)[C@H](c2ccc(C#N)cc2)N2NC(c3ccccc3)=NC2=N1 N#Cc1ccc(cc1)[*:1] CC1N=C2N=C(NN2[C@@H](C=1C(N)=O)[*:1])c1ccccc1
CC1=C(C(N)=O)[C@H](c2ccc(C#N)cc2)N2NC(c3ccccc3)=NC2=N1 NC(=O)[*:1] CC1N=C2N=C(NN2[C@H](C=1[*:1])c1ccc(C#N)cc1)c1ccccc1
CC1=C(C(N)=O)[C@H](c2ccc(C#N)cc2)N2NC(c3ccccc3)=NC2=N1 c1ccc(cc1)[*:1] CC1N=C2N=C(NN2[C@H](C=1C(N)=O)c1ccc(C#N)cc1)[*:1]
COc1ccc([C@@H](NC(=O)N2CC[C@@H]3CCCC[C@@H]32)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H](C1CCOCC1)[*:1])N1CC[C@@H]2CCCC[C@@H]21
COc1ccc([C@@H](NC(=O)N2CC[C@@H]3CCCC[C@@H]32)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N1CC[C@@H]2CCCC[C@@H]21)[*:1]
Cc1nc(-c2ccc3c(c2)n(CC(=O)N2CCN(c4cccc(C)c4C)CC2)c(=O)n3C(C)C)no1 Cc1nc(no1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)Cn1c(=O)n(c2ccc(cc21)[*:1])C(C)C
Cc1nc(-c2ccc3c(c2)n(CC(=O)N2CCN(c4cccc(C)c4C)CC2)c(=O)n3C(C)C)no1 CC(C)[*:1] Cc1nc(no1)-c1ccc2c(c1)n(CC(=O)N1CCN(CC1)c1cccc(C)c1C)c(=O)n2[*:1]
Cc1nc(-c2ccc3c(c2)n(CC(=O)N2CCN(c4cccc(C)c4C)CC2)c(=O)n3C(C)C)no1 Cc1cccc(c1C)[*:1] Cc1nc(no1)-c1ccc2c(c1)n(CC(=O)N1CCN(CC1)[*:1])c(=O)n2C(C)C
O=C(C1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)c1cnn(C[*:1])c(=O)c1Cl)N1CCCCC1
O=C(C1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=c1c(Cl)c(cnn1Cc1ccccc1)N1CCC(CC1)[*:1]
O=C(C1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1)N1CCCCC1 c1ccc(cc1)C[*:1] O=C(C1CCN(CC1)c1cnn(c(=O)c1Cl)[*:1])N1CCCCC1
CC[NH2+][C@@H](c1ccccc1SC)[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] CC[NH2+][C@@H](c1ccccc1SC)[C@H](C)[*:1]
CCCCCC(=O)Nc1cccc(NS(C)(=O)=O)c1 CCC[*:1] CS(=O)(=O)Nc1cccc(c1)NC(=O)CC[*:1]
CCCCCC(=O)Nc1cccc(NS(C)(=O)=O)c1 CCCCC[*:1] CS(=O)(=O)Nc1cccc(c1)NC(=O)[*:1]
CCCCCC(=O)Nc1cccc(NS(C)(=O)=O)c1 CS(=O)(=O)N[*:1] CCCCCC(=O)Nc1cccc(c1)[*:1]
CCCCCC(=O)Nc1cccc(NS(C)(=O)=O)c1 CCCC[*:1] CS(=O)(=O)Nc1cccc(c1)NC(=O)C[*:1]
O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@H](SC2CCCCC2)C1 C1CC1[*:1] O=C([O-])[C@@]1(CCC[C@@H](C1)SC1CCCCC1)[NH2+][*:1]
O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@H](SC2CCCCC2)C1 O=C([O-])[*:1] C1CCC(CC1)S[C@H]1CCC[C@](C1)([NH2+]C1CC1)[*:1]
O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@H](SC2CCCCC2)C1 C1CCC(CC1)[*:1] O=C([O-])[C@@]1(CCC[C@@H](C1)S[*:1])[NH2+]C1CC1
Cc1cc2c(=O)n(C[C@H](O)COCc3ccccc3)cnc2s1 c1ccc(cc1)[*:1] Cc1cc2c(=O)n(cnc2s1)C[C@H](O)COC[*:1]
Cc1cc2c(=O)n(C[C@H](O)COCc3ccccc3)cnc2s1 c1ccc(cc1)C[*:1] Cc1cc2c(=O)n(cnc2s1)C[C@H](O)CO[*:1]
Cc1ccc(-c2nnc(NC(=O)N3CCN(c4cc[nH+]cc4C)CC3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1c[nH+]ccc1N1CCN(CC1)C(=O)Nc1nnc(s1)[*:1]
C[C@H](N[C@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)cc1Cl NC(=O)[*:1] C[C@H](N[C@H](c1ccc(F)cc1)[*:1])c1ccc(F)cc1Cl
C[C@H](N[C@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)cc1Cl Fc1ccc(cc1)[*:1] C[C@H](N[C@H](C(N)=O)[*:1])c1ccc(F)cc1Cl
CCO[C@@H]1C[C@H]([O-])C12CCN(c1ncnc3c(C)cccc13)CC2 CCO[*:1] Cc1cccc2c(ncnc12)N1CCC2(CC1)[C@@H]([O-])C[C@H]2[*:1]
O=C1[C@H](Oc2ccccc2)[C@H](c2cccs2)N1Cc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C1[C@H](O[*:1])[C@H](c2cccs2)N1Cc1ccc2OCOc2c1
O=C1[C@H](Oc2ccccc2)[C@H](c2cccs2)N1Cc1ccc2c(c1)OCO2 c1csc(c1)[*:1] O=C1[C@H](Oc2ccccc2)[C@H](N1Cc1ccc2OCOc2c1)[*:1]
O=C1[C@H](Oc2ccccc2)[C@H](c2cccs2)N1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1[C@H](Oc2ccccc2)[C@H](c2cccs2)N1C[*:1]
O=C1[C@H](Oc2ccccc2)[C@H](c2cccs2)N1Cc1ccc2c(c1)OCO2 c1ccc(cc1)O[*:1] O=C1[C@H]([C@H](c2cccs2)N1Cc1ccc2OCOc2c1)[*:1]
Cc1ccc(/C=C\C(=O)OCCNC(=O)c2ccncc2)cc1Cl c1cc(ccn1)[*:1] Cc1ccc(/C=C\C(=O)OCCNC(=O)[*:1])cc1Cl
Cc1ccc(/C=C\C(=O)OCCNC(=O)c2ccncc2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(C=C[*:1])OCCNC(=O)c1ccncc1
Cc1cc(C(=O)N2CCC(CNC(=O)/C=C/c3ccccc3Cl)CC2)no1 Clc1ccccc1C=C[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)CNC(=O)[*:1]
Cc1cc(C(=O)N2CCC(CNC(=O)/C=C/c3ccccc3Cl)CC2)no1 Clc1ccccc1[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)CNC(=O)C=C[*:1]
Cc1cc(C(=O)N2CCC(CNC(=O)/C=C/c3ccccc3Cl)CC2)no1 Cc1cc(no1)[*:1] O=C(/C=C/c1ccccc1Cl)NCC1CCN(CC1)C(=O)[*:1]
CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(C)c2ncccc12 NC(=O)N[*:1] CSCC[C@H](C(=O)Nc1ccc(C)c2ncccc12)[*:1]
CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(C)c2ncccc12 CSCC[*:1] Cc1ccc(NC(=O)[C@@H](NC(N)=O)[*:1])c2cccnc12
CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(C)c2ncccc12 CSC[*:1] Cc1ccc(NC(=O)[C@H](C[*:1])NC(N)=O)c2cccnc12
O=C(NCCc1ccc2c(c1)OCO2)Nc1nccs1 c1csc(n1)[*:1] O=C(NCCc1ccc2OCOc2c1)N[*:1]
COC[C@H](C)NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 Cc1nc(oc1C)[*:1] COC[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
COC[C@H](C)NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 COC[C@H](C)[*:1] Cc1nc(oc1C)-c1cccc(c1)NC(=O)N[*:1]
COC[C@H](C)NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 COC[*:1] Cc1nc(oc1C)-c1cccc(c1)NC(=O)N[C@@H](C)[*:1]
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(C)s1 Cc1ccc(s1)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2[*:1]
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(C)s1 COC(=O)[*:1] Cc1ccc(s1)[C@@H]1Nc2ccccc2NC2C[C@H](C)[C@@H](C(=O)C=21)[*:1]
CCOC(=O)c1sc2ncnc(N(C)Cc3ncnn3C)c2c1C Cn1ncnc1C[*:1] CCOC(=O)c1sc2ncnc(c2c1C)N(C)[*:1]
CCOC(=O)c1sc2ncnc(N(C)Cc3ncnn3C)c2c1C Cn1ncnc1[*:1] CCOC(=O)c1sc2ncnc(c2c1C)N(C)C[*:1]
CCOC(=O)c1sc2ncnc(N(C)Cc3ncnn3C)c2c1C CCOC(=O)[*:1] Cc1c(sc2ncnc(c12)N(C)Cc1ncnn1C)[*:1]
CC[C@H](C)NC(=O)Nc1cc(-c2ncco2)ccc1C CC[C@H](C)[*:1] Cc1ccc(cc1NC(=O)N[*:1])-c1ncco1
CC[C@H](C)NC(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] CC[C@H](C)NC(=O)Nc1cc(ccc1C)[*:1]
O=C(NCCCCOc1ccc(Cl)cc1)c1cnc2ccccc2n1 Clc1ccc(cc1)O[*:1] O=C(NCCCC[*:1])c1cnc2ccccc2n1
O=C(NCCCCOc1ccc(Cl)cc1)c1cnc2ccccc2n1 Clc1ccc(cc1)[*:1] O=C(NCCCCO[*:1])c1cnc2ccccc2n1
CCC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)NCC(C)C)CC1 O=C(N[*:1])c1ccccc1 CCC(=O)N1CCC(CC1)[C@@H](C(=O)NCC(C)C)[*:1]
CCC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)NCC(C)C)CC1 CC(C)C[*:1] CCC(=O)N1CCC(CC1)[C@@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CCC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)NCC(C)C)CC1 CC(C)CNC(=O)[*:1] CCC(=O)N1CCC(CC1)[C@@H](NC(=O)c1ccccc1)[*:1]
CCC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)NCC(C)C)CC1 CC(C)[*:1] CCC(=O)N1CCC(CC1)[C@@H](NC(=O)c1ccccc1)C(=O)NC[*:1]
CCC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)NCC(C)C)CC1 c1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)[C@@H](NC(=O)[*:1])C(=O)NCC(C)C
COc1cc(C)sc1C(=O)N(C)CC(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] COc1cc(C)sc1C(=O)N(C)CC(=O)N[*:1]
CC(C)CN1CCO[C@H](CNC(=O)N2CCSC(C)(C)C2)C1 CC(C)[*:1] CC1(C)CN(CCS1)C(=O)NC[C@@H]1CN(CCO1)C[*:1]
CC(C)CN1CCO[C@H](CNC(=O)N2CCSC(C)(C)C2)C1 CC(C)C[*:1] CC1(C)CN(CCS1)C(=O)NC[C@@H]1CN(CCO1)[*:1]
O=C(NCc1cccc2ccccc12)N[C@H](CCO)c1cccs1 OCC[*:1] O=C(NCc1cccc2ccccc12)N[C@H](c1cccs1)[*:1]
O=C(NCc1cccc2ccccc12)N[C@H](CCO)c1cccs1 c1csc(c1)[*:1] O=C(NCc1cccc2ccccc12)N[C@H](CCO)[*:1]
Cc1ccc(CCC(=O)Nc2ccc(SCc3cccnc3)cc2)o1 Cc1ccc(CC[*:1])o1 O=C(Nc1ccc(cc1)SCc1cccnc1)[*:1]
Cc1ccc(CCC(=O)Nc2ccc(SCc3cccnc3)cc2)o1 Cc1ccc(o1)[*:1] O=C(CC[*:1])Nc1ccc(cc1)SCc1cccnc1
Cc1ccc(CCC(=O)Nc2ccc(SCc3cccnc3)cc2)o1 Cc1ccc(C[*:1])o1 O=C(C[*:1])Nc1ccc(cc1)SCc1cccnc1
Cc1ccc(CCC(=O)Nc2ccc(SCc3cccnc3)cc2)o1 c1cncc(c1)[*:1] Cc1ccc(CCC(=O)Nc2ccc(cc2)SC[*:1])o1
Cc1ccc(CCC(=O)Nc2ccc(SCc3cccnc3)cc2)o1 c1cncc(c1)C[*:1] Cc1ccc(CCC(=O)Nc2ccc(cc2)S[*:1])o1
Cc1ccc(CCC(=O)Nc2ccc(SCc3cccnc3)cc2)o1 c1cncc(c1)CS[*:1] Cc1ccc(CCC(=O)Nc2ccc(cc2)[*:1])o1
O=C(NCCc1ccc2c(c1)OCO2)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NCCc1ccc2OCOc2c1)NC[*:1]
O=C(NCCc1ccc2c(c1)OCO2)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(NCCc1ccc2OCOc2c1)N[*:1]
C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=NNC(=O)[C@H]1C[C@@H]1c1ccccc1)[*:1]
C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C/C(=N/NC(=O)[C@H]1C[C@H]1[*:1])c1ccc(Cl)cc1
COc1cc2cc(C(=O)N(C)Cc3ccc(Br)o3)[nH]c2c(OC)c1OC Brc1ccc(o1)[*:1] COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N(C)C[*:1]
COc1cc2cc(C(=O)N(C)Cc3ccc(Br)o3)[nH]c2c(OC)c1OC Brc1ccc(C[*:1])o1 COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N(C)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)COc2ccc(F)cc2Cl)C1 Fc1ccc(c(Cl)c1)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)CO[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)COc2ccc(F)cc2Cl)C1 Fc1ccc(O[*:1])c(Cl)c1 O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)COc2ccc(F)cc2Cl)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)COc1ccc(F)cc1Cl
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)COc2ccc(F)cc2Cl)C1 O=C(Nc1ccccc1)[*:1] O=C(COc1ccc(F)cc1Cl)N1CCC[C@@H](C1)[*:1]
O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)NC2CCCCC2)c1 O=C(NC1CCCCC1)[*:1] O=C(COc1ccc(Cl)cc1)Nc1cccc(c1)[*:1]
O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)NC2CCCCC2)c1 Clc1ccc(cc1)OC[*:1] O=C(NC1CCCCC1)c1cccc(c1)NC(=O)[*:1]
O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(COc1ccc(Cl)cc1)Nc1cccc(c1)C(=O)N[*:1]
O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)NC2CCCCC2)c1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)NC1CCCCC1
O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)NC2CCCCC2)c1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1cccc(c1)C(=O)NC1CCCCC1
CCN(C(=O)CN1CCn2c(nn(C)c2=O)C1)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)CN1CCn2c(C1)nn(C)c2=O)[C@H](C)[*:1]
CCCCc1nc(Cl)c(CN2CC[C@@]3(CCCNC3=O)C2)[nH]1 CCC[*:1] O=C1NCCC[C@@]12CCN(Cc1[nH]c(C[*:1])nc1Cl)C2
CCCCc1nc(Cl)c(CN2CC[C@@]3(CCCNC3=O)C2)[nH]1 CCCC[*:1] O=C1NCCC[C@@]12CCN(Cc1[nH]c(nc1Cl)[*:1])C2
CCn1ccnc(NC2CCN(C(=O)c3ccccc3F)CC2)c1=O Fc1ccccc1[*:1] CCn1ccnc(NC2CCN(CC2)C(=O)[*:1])c1=O
CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)[nH]n1 C1CCC(C1)O[*:1] CCc1cc([nH]n1)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)[nH]n1 CCc1cc([nH]n1)[*:1] O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)[*:1]
CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)[nH]n1 C1CCC(C1)[*:1] CCc1cc([nH]n1)C(=O)N[C@@H]1CCCC[C@H]1O[*:1]
O=C1CN(/N=C\c2ncc(-c3ccc(Br)cc3)o2)C(=O)N1 Brc1ccc(cc1)[*:1] O=C1CN(/N=C\c2ncc(o2)[*:1])C(=O)N1
O=C(c1c(F)cccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(c1c(F)cccc1Cl)N1CCN(CC1)[*:1]
CC(=O)Oc1ccccc1C(=O)c1ccccc1Br CC(=O)O[*:1] O=C(c1ccccc1Br)c1ccccc1[*:1]
CC[NH2+][C@@]1(CO)CCC[C@H]1CCSc1nc(C)cs1 Cc1csc(n1)[*:1] CC[NH2+][C@@]1(CO)CCC[C@H]1CCS[*:1]
Cc1cccc(-c2nc(C[NH+]3CCC(NC(=O)C4CC4)CC3)no2)c1 C1CC1[*:1] Cc1cccc(c1)-c1nc(C[NH+]2CCC(CC2)NC(=O)[*:1])no1
Cc1cccc(-c2nc(C[NH+]3CCC(NC(=O)C4CC4)CC3)no2)c1 Cc1cccc(c1)[*:1] O=C(NC1CC[NH+](CC1)Cc1noc(n1)[*:1])C1CC1
Cc1cccc(-c2nc(C[NH+]3CCC(NC(=O)C4CC4)CC3)no2)c1 O=C(N[*:1])C1CC1 Cc1cccc(c1)-c1nc(C[NH+]2CCC(CC2)[*:1])no1
O=C(Cc1noc2ccccc12)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(Cc1noc2ccccc12)N[C@H]1CCCC[C@H]1O[*:1]
O=C(Cc1noc2ccccc12)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(Cc1noc2ccccc12)N[C@H]1CCCC[C@@H]1[*:1]
CCOC(=O)c1nc(NCc2cccnc2)c2ccccc2n1 CCOC(=O)[*:1] c1cncc(c1)CNc1nc(nc2ccccc12)[*:1]
CCOC(=O)c1nc(NCc2cccnc2)c2ccccc2n1 c1cncc(c1)[*:1] CCOC(=O)c1nc(NC[*:1])c2ccccc2n1
CCOC(=O)c1nc(NCc2cccnc2)c2ccccc2n1 c1cncc(c1)C[*:1] CCOC(=O)c1nc(N[*:1])c2ccccc2n1
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)COc2ccc(F)cc2F)cc1 CC(=O)[*:1] C[C@@H](COc1ccc(F)cc1F)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)COc2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N[C@@H](C)CO[*:1]
COC(=O)c1ccc(NC(=O)N2CC[NH+](CCC(C)C)CC2)cc1 CC(C)C[*:1] COC(=O)c1ccc(cc1)NC(=O)N1CC[NH+](CC1)C[*:1]
COC(=O)c1ccc(NC(=O)N2CC[NH+](CCC(C)C)CC2)cc1 COC(=O)[*:1] CC(C)CC[NH+]1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)N2CC[NH+](CCC(C)C)CC2)cc1 CC(C)CC[*:1] COC(=O)c1ccc(cc1)NC(=O)N1CC[NH+](CC1)[*:1]
COC(=O)c1ccc(NC(=O)N2CC[NH+](CCC(C)C)CC2)cc1 CC(C)[*:1] COC(=O)c1ccc(cc1)NC(=O)N1CC[NH+](CC1)CC[*:1]
CCn1cnc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])c1 CC(C)C[*:1] CCn1cnc(c1)S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
CCn1cnc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])c1 CC(C)[*:1] CCn1cnc(c1)S(=O)(=O)N[C@H](C[*:1])C(=O)[O-]
CCn1cnc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])c1 O=C([O-])[*:1] CCn1cnc(c1)S(=O)(=O)N[C@H](CC(C)C)[*:1]
COc1cccc(Cn2c(=O)n(CC3CCC(C(=O)N4CCOCC4)CC3)c(=O)c3sccc32)c1 COc1cccc(c1)C[*:1] O=C(C1CCC(CC1)Cn1c(=O)c2sccc2n(c1=O)[*:1])N1CCOCC1
COc1cccc(Cn2c(=O)n(CC3CCC(C(=O)N4CCOCC4)CC3)c(=O)c3sccc32)c1 O=C(N1CCOCC1)[*:1] COc1cccc(c1)Cn1c(=O)n(CC2CCC(CC2)[*:1])c(=O)c2sccc21
COc1cccc(Cn2c(=O)n(CC3CCC(C(=O)N4CCOCC4)CC3)c(=O)c3sccc32)c1 COc1cccc(c1)[*:1] O=C(C1CCC(CC1)Cn1c(=O)c2sccc2n(C[*:1])c1=O)N1CCOCC1
CC(C)(C)CC(C)(C)NC1=[NH+]CCN[C@H]1C(C)(C)C CC(C)(C)C[*:1] CC(C)(C)[C@@H]1NCC[NH+]=C1NC(C)(C)[*:1]
CC(C)(C)CC(C)(C)NC1=[NH+]CCN[C@H]1C(C)(C)C CC(C)(C)[*:1] CC(C)(C)CC(C)(C)NC1=[NH+]CCN[C@@H]1[*:1]
CC(C)(C)CC(C)(C)NC1=[NH+]CCN[C@H]1C(C)(C)C CC(C)(C)[*:1] CC(C)(C[*:1])NC1=[NH+]CCN[C@H]1C(C)(C)C
N#Cc1ccncc1N1CCC(NC(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] N#Cc1ccncc1N1CCC(CC1)NC(=O)[*:1]
N#Cc1ccncc1N1CCC(NC(=O)c2ccccc2F)CC1 N#Cc1ccncc1[*:1] O=C(NC1CCN(CC1)[*:1])c1ccccc1F
CC(C)OCCCNC(=O)c1ccc2c(c1)NC(=O)CO2 CC(C)OC[*:1] O=C1COc2ccc(cc2N1)C(=O)NCC[*:1]
CC(C)OCCCNC(=O)c1ccc2c(c1)NC(=O)CO2 CC(C)OCC[*:1] O=C1COc2ccc(cc2N1)C(=O)NC[*:1]
CC(C)OCCCNC(=O)c1ccc2c(c1)NC(=O)CO2 CC(C)[*:1] O=C1COc2ccc(cc2N1)C(=O)NCCCO[*:1]
CC(C)OCCCNC(=O)c1ccc2c(c1)NC(=O)CO2 CC(C)OCCC[*:1] O=C1COc2ccc(cc2N1)C(=O)N[*:1]
CC(C)OCCCNC(=O)c1ccc2c(c1)NC(=O)CO2 CC(C)O[*:1] O=C1COc2ccc(cc2N1)C(=O)NCCC[*:1]
O[C@H](CN(Cc1c(Cl)nc2ccccn12)C1CC1)c1ccccc1 C1CC1[*:1] O[C@H](CN(Cc1c(Cl)nc2ccccn12)[*:1])c1ccccc1
O[C@H](CN(Cc1c(Cl)nc2ccccn12)C1CC1)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](CN(Cc1c(Cl)nc2ccccn12)C1CC1)[*:1]
O[C@H](CN(Cc1c(Cl)nc2ccccn12)C1CC1)c1ccccc1 O[C@H](c1ccccc1)[*:1] Clc1nc2ccccn2c1CN(C[*:1])C1CC1
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2)CC1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1ccnc(c1)-c1ccccc1
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2)CC1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccnc(c1)-c1ccccc1
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)C1CCN(CC1)C(=O)c1ccnc(c1)[*:1]
COc1cc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1OC(C)C NC(=O)c1ccc(cc1)[*:1] COc1cc(ccc1OC(C)C)C[NH+]1CCN(CC1)[*:1]
COc1cc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1OC(C)C NC(=O)[*:1] COc1cc(ccc1OC(C)C)C[NH+]1CCN(CC1)c1ccc(cc1)[*:1]
COc1cc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C[NH+]1CCN(CC1)c1ccc(cc1)C(N)=O
COc1cc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C[NH+]1CCN(CC1)c1ccc(cc1)C(N)=O
CN(C)C(=O)C[C@@H](C[NH3+])N(C)[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] CN(C)C(=O)C[C@@H](C[NH3+])N(C)[*:1]
CN(C)C(=O)C[C@@H](C[NH3+])N(C)[C@@H]1CCSC1 CN(C)C(=O)[*:1] CN([C@H](C[NH3+])C[*:1])[C@@H]1CCSC1
CCOC(=O)C1=NN(c2ccc(F)cc2F)[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CCOC(=O)C1C[C@H](N(N=1)c1ccc(F)cc1F)[*:1]
Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)C[C@H]3CCCCO3)CC2)n1 c1ccc(C[*:1])nc1 Cn1cc(C(=O)N[*:1])c(CC2CCN(CC2)C(=O)C[C@H]2CCCCO2)n1
Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)C[C@H]3CCCCO3)CC2)n1 O=C(NCc1ccccn1)[*:1] Cn1cc(c(CC2CCN(CC2)C(=O)C[C@H]2CCCCO2)n1)[*:1]
Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)C[C@H]3CCCCO3)CC2)n1 c1ccc(nc1)[*:1] Cn1cc(C(=O)NC[*:1])c(CC2CCN(CC2)C(=O)C[C@H]2CCCCO2)n1
C[C@@H](OC(=O)c1ccccc1O)C(=O)Nc1sccc1C#N Oc1ccccc1[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1sccc1C#N
C[C@@H](OC(=O)c1ccccc1O)C(=O)Nc1sccc1C#N N#Cc1ccsc1[*:1] C[C@@H](OC(=O)c1ccccc1O)C(=O)N[*:1]
C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
COC(=O)[C@H](NC(=O)c1cccc2ccc(C)nc12)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)c1cccc2ccc(C)nc12)[*:1]
COC(=O)[C@H](NC(=O)c1cccc2ccc(C)nc12)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)c1cccc2ccc(C)nc12)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)CCNS(=O)(=O)c1ccccc1Cl Clc1ccccc1[*:1] CN(Cc1cccc(Cl)c1)C(=O)CCNS(=O)(=O)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)CCNS(=O)(=O)c1ccccc1Cl Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)CCNS(=O)(=O)c1ccccc1Cl
CN(Cc1cccc(Cl)c1)C(=O)CCNS(=O)(=O)c1ccccc1Cl Clc1cccc(c1)C[*:1] CN(C(=O)CCNS(=O)(=O)c1ccccc1Cl)[*:1]
CC[C@@H](C)NC(=O)CN1CCN(c2ccnc(N(C)C)n2)CC1 CC[C@@H](C)[*:1] CN(C)c1nccc(n1)N1CCN(CC1)CC(=O)N[*:1]
CC[C@@H](C)NC(=O)CN1CCN(c2ccnc(N(C)C)n2)CC1 CN(C)[*:1] CC[C@@H](C)NC(=O)CN1CCN(CC1)c1ccnc(n1)[*:1]
CC[C@@H](C)NC(=O)CN1CCN(c2ccnc(N(C)C)n2)CC1 CC[C@@H](C)NC(=O)[*:1] CN(C)c1nccc(n1)N1CCN(CC1)C[*:1]
C=CCOc1cccc(NC(=O)CNc2cccc(C)c2)c1 C=CCO[*:1] Cc1cccc(c1)NCC(=O)Nc1cccc(c1)[*:1]
C=CCOc1cccc(NC(=O)CNc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] C=CCOc1cccc(c1)NC(=O)CN[*:1]
C=CCOc1cccc(NC(=O)CNc2cccc(C)c2)c1 C=CC[*:1] Cc1cccc(c1)NCC(=O)Nc1cccc(c1)O[*:1]
CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 CCO[*:1] O=C(Nc1ccc(F)c(Cl)c1)C1CCN(CC1)c1nc2ccccc2nc1[*:1]
CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 Fc1ccc(cc1Cl)[*:1] CCOc1nc2ccccc2nc1N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(CN2C[C@H](C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC[C@@H]1c1nc2ccccc2s1
Cc1ccc(CN2C[C@H](C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCC[C@@H]1c1nc2ccccc2s1
Cc1ccc(CN2C[C@H](C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)CC2=O)cc1 c1ccc2sc(nc2c1)[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)N1CCC[C@H]1[*:1]
C[C@@H](CCN1CCOCC1)N[C@@H]1CCOc2cc3c(cc21)OCO3 C1CN(CCO1)CC[*:1] C[C@@H](N[C@@H]1CCOc2cc3OCOc3cc21)[*:1]
C[C@@H](CCN1CCOCC1)N[C@@H]1CCOc2cc3c(cc21)OCO3 C1CN(CCO1)[*:1] C[C@@H](CC[*:1])N[C@@H]1CCOc2cc3OCOc3cc21
C[C@@H](CCN1CCOCC1)N[C@@H]1CCOc2cc3c(cc21)OCO3 C1CN(CCO1)C[*:1] C[C@@H](C[*:1])N[C@@H]1CCOc2cc3OCOc3cc21
Cc1cc2c(N[C@@H](C)[C@H]3CCOC3)ncnc2s1 C1C[C@@H](CO1)[*:1] Cc1cc2c(ncnc2s1)N[C@@H](C)[*:1]
CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)[*:1]
COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCN(C(C)=O)C2 O=[N+]([O-])[*:1] COC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[*:1])sc2CN(CCc21)C(C)=O
COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCN(C(C)=O)C2 COC(=O)[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-])c2[*:1]
COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCN(C(C)=O)C2 O=[N+]([O-])c1cccc(c1)[*:1] COC(=O)c1c(NC(=O)C=C[*:1])sc2CN(CCc21)C(C)=O
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NN1CCCCC1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1Cl)[*:1])NN1CCCCC1
O=C(c1ccccc1)[C@@H](c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=[N+]([O-])c1ccc(cc1)[C@@H](S(=O)(=O)c1ccccc1)[*:1]
O=C(c1ccccc1)[C@@H](c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H](c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)c1ccccc1)[*:1]
O=C(c1ccccc1)[C@@H](c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(c1ccccc1)[C@@H](S(=O)(=O)c1ccccc1)[*:1]
O=C(c1ccccc1)[C@@H](c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccccc1)[C@@H](c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)[*:1]
O=C(c1ccccc1)[C@@H](c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 O=S(=O)(c1ccccc1)[*:1] O=C(c1ccccc1)[C@@H](c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(c1ccccc1)[C@@H](c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 O=[N+]([O-])[*:1] O=C(c1ccccc1)[C@@H](c1ccc(cc1)[*:1])S(=O)(=O)c1ccccc1
Cc1cccc(C)c1NC(=O)NCCN1c2ccccc2C[C@H]1C Cc1cccc(C)c1[*:1] C[C@@H]1Cc2ccccc2N1CCNC(=O)N[*:1]
COC(=O)[C@]1(NC(=O)c2cccc(C)n2)CCOC1 COC(=O)[*:1] Cc1cccc(n1)C(=O)N[C@@]1(CCOC1)[*:1]
CC(C)c1nc(CC[NH2+]Cc2nc3c(s2)CCC3)cs1 CC(C)[*:1] c1sc(nc1CC[NH2+]Cc1nc2CCCc2s1)[*:1]
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(OC)cc3)ccc21 COc1ccc(cc1)C[*:1] CCCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)[*:1]
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(OC)cc3)ccc21 COc1ccc(cc1)[*:1] CCCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)C[*:1]
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(OC)cc3)ccc21 CCC[*:1] COc1ccc(cc1)CC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2[*:1]
C[C@@H](Cl)C(=O)N[C@H]1CCCC1(C)C C[C@@H](Cl)[*:1] CC1(C)CCC[C@@H]1NC(=O)[*:1]
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc2CCCCCn21)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 C1CCc2nnc(n2CC1)[*:1] C[C@H](S[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
CCn1nc(C(F)(F)F)cc1CNc1cn(C)nc1C FC(F)(F)[*:1] CCn1nc(cc1CNc1cn(C)nc1C)[*:1]
CC(C)c1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)CCNC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)c1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(NCC[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
CC(C)c1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 CC(C)[*:1] O=C(NCCc1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
CCn1nnc(NCc2ccc(-c3ccc(C)c(Cl)c3)o2)n1 CCn1nnc(n1)[*:1] Cc1ccc(cc1Cl)-c1ccc(CN[*:1])o1
O=C(NCC(F)(F)F)NNC(=O)c1ccccc1Cl FC(F)(F)C[*:1] O=C(NNC(=O)c1ccccc1Cl)N[*:1]
O=C(NCC(F)(F)F)NNC(=O)c1ccccc1Cl FC(F)(F)[*:1] O=C(NC[*:1])NNC(=O)c1ccccc1Cl
COc1cc(OC)cc([C@H]2CCN(Cc3nnnn3C3CC3)C2)c1 C1CC1[*:1] COc1cc(cc(c1)[C@H]1CCN(Cc2nnnn2[*:1])C1)OC
COc1cc(OC)cc([C@H]2CCN(Cc3nnnn3C3CC3)C2)c1 C1CC1n1nnnc1[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)C[*:1])OC
O=C(NCCc1nc2ccccc2[nH]1)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(NCCc1nc2ccccc2[nH]1)Nc1ccc(cc1)[*:1]
O=C(NCCc1nc2ccccc2[nH]1)Nc1ccc(N2CCCC2=O)cc1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NCC[*:1])Nc1ccc(cc1)N1CCCC1=O
C#CCN(Cc1ncc(-c2ccccc2Cl)o1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] O=S1(=O)CC[C@H](C1)N(Cc1ncc(o1)-c1ccccc1Cl)[*:1]
C#CCN(Cc1ncc(-c2ccccc2Cl)o1)[C@@H]1CCS(=O)(=O)C1 Clc1ccccc1[*:1] C#CCN(Cc1ncc(o1)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(Cn1cccc1-c1nnc(-c2ccccc2)o1)NCc1cccnc1 c1cncc(c1)[*:1] O=C(Cn1cccc1-c1nnc(o1)-c1ccccc1)NC[*:1]
O=C(Cn1cccc1-c1nnc(-c2ccccc2)o1)NCc1cccnc1 c1ccc(cc1)[*:1] O=C(Cn1cccc1-c1nnc(o1)[*:1])NCc1cccnc1
O=C(Cn1cccc1-c1nnc(-c2ccccc2)o1)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(Cn1cccc1-c1nnc(o1)-c1ccccc1)N[*:1]
C[C@H](S[C@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@H](S[C@H](C)c1ccc(cc1)OC(F)(F)F)[*:1]
C[C@H](S[C@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)NC(N)=O FC(F)(F)O[*:1] C[C@H](S[C@H](C)c1ccc(cc1)[*:1])C(=O)NC(N)=O
C[C@H](S[C@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)NC(N)=O FC(F)(F)[*:1] C[C@H](S[C@H](C)c1ccc(cc1)O[*:1])C(=O)NC(N)=O
CCS[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N CCS[*:1] N#C[C@H]1CC[C@H](C[C@H]1[*:1])c1ccccc1
Cc1ccc(NC(=O)NCc2ncc[nH]2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NCc1ncc[nH]1
Cc1ccc(NC(=O)NCc2ncc[nH]2)cc1S(=O)(=O)N(C)C c1c[nH]c(n1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)NC[*:1]
Cc1ccc(NC(=O)NCc2ncc[nH]2)cc1S(=O)(=O)N(C)C c1c[nH]c(C[*:1])n1 Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)N[*:1]
Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cccs1 O=[N+]([O-])[*:1] Cn1c(nnc1-c1cccs1)SCC(=O)Nc1ccccc1[*:1]
Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cccs1 c1csc(c1)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccccc1[N+](=O)[O-]
CCCCCc1nn2c(C)c(-c3ccccc3)nc2s1 CCCCC[*:1] Cc1c(nc2sc(nn12)[*:1])-c1ccccc1
CCCCCc1nn2c(C)c(-c3ccccc3)nc2s1 CCCC[*:1] Cc1c(nc2sc(C[*:1])nn12)-c1ccccc1
CCCCCc1nn2c(C)c(-c3ccccc3)nc2s1 CCC[*:1] Cc1c(nc2sc(CC[*:1])nn12)-c1ccccc1
CCCCCc1nn2c(C)c(-c3ccccc3)nc2s1 c1ccc(cc1)[*:1] CCCCCc1nn2c(C)c(nc2s1)[*:1]
O=C(NCCc1ccc(F)cc1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] O=C(NCCc1ccc(F)cc1)N(CC[*:1])C1CCC1
O=C(NCCc1ccc(F)cc1)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] O=C(NCCc1ccc(F)cc1)N(CCC(F)(F)F)[*:1]
O=C(NCCc1ccc(F)cc1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] O=C(NCCc1ccc(F)cc1)N(C1CCC1)[*:1]
O=C(NCCc1ccc(F)cc1)N(CCC(F)(F)F)C1CCC1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])N(CCC(F)(F)F)C1CCC1
O=C(NCCc1ccc(F)cc1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] O=C(NCCc1ccc(F)cc1)N(C[*:1])C1CCC1
CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H](C(=O)C4N=N4)CC[C@H]32)C1 CC(=O)O[*:1] C[C@@]12CC[C@H](CC1=CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H](CC[C@H]12)C(=O)C1N=N1)[*:1]
C[C@@H](C(=O)NN)[C@@H](C)Sc1nnc(N)n1C NNC(=O)[*:1] C[C@@H]([C@@H](C)Sc1nnc(N)n1C)[*:1]
O=C(Nc1ccccc1F)O/N=C/c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1ccccc1F)ON=C[*:1]
CSc1cccc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)c1 CSc1cccc(c1)[*:1] Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1Cn1nc(-c2nc(C(C)(C)C)no2)ccc1=O Cc1ccccc1C[*:1] CC(C)(C)c1noc(n1)-c1ccc(=O)n(n1)[*:1]
Cc1ccccc1Cn1nc(-c2nc(C(C)(C)C)no2)ccc1=O Cc1ccccc1[*:1] CC(C)(C)c1noc(n1)-c1ccc(=O)n(C[*:1])n1
Cc1ccccc1Cn1nc(-c2nc(C(C)(C)C)no2)ccc1=O CC(C)(C)[*:1] Cc1ccccc1Cn1nc(ccc1=O)-c1nc(no1)[*:1]
CCOC(=O)c1cc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc2s1 Cc1ccc(cc1)[*:1] CCOC(=O)c1cc2cc(ccc2s1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)c1cc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc2s1 CCOC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2sc(cc2c1)[*:1]
COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C)cc1OC Cc1ccccc1[*:1] COc1ccc(cc1OC)S[C@H](C)C(=O)N[*:1]
O=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(Nc1cc(ccc1F)-n1cnnn1)[*:1]
O=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(Br)o1 c1nnnn1[*:1] O=C(Nc1cc(ccc1F)[*:1])c1ccc(Br)o1
Cc1ccc(C(=O)[O-])cc1N[C@@H]1CC(=O)N(c2ccccc2C)C1=O Cc1ccccc1[*:1] Cc1ccc(cc1N[C@@H]1CC(=O)N(C1=O)[*:1])C(=O)[O-]
Cc1ccc(C(=O)[O-])cc1N[C@@H]1CC(=O)N(c2ccccc2C)C1=O O=C([O-])[*:1] Cc1ccc(cc1N[C@@H]1CC(=O)N(C1=O)c1ccccc1C)[*:1]
C[C@@H](CNC(=O)c1ccccc1N1CCCC1=O)N(C)c1ccccc1 O=C1CCCN1[*:1] C[C@@H](CNC(=O)c1ccccc1[*:1])N(C)c1ccccc1
C[C@@H](CNC(=O)c1ccccc1N1CCCC1=O)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@H](CNC(=O)c1ccccc1N1CCCC1=O)[*:1]
C[C@@H](CNC(=O)c1ccccc1N1CCCC1=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1ccccc1N1CCCC1=O)N(C)[*:1]
C[C@@H]1CN([C@@H]2CC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)CC(C)(C)O1 O=C([O-])[*:1] C[C@@H]1CN(CC(C)(C)O1)[C@@H]1CC[C@@](C1)([NH2+]C1CC1)[*:1]
C[C@@H]1CN([C@@H]2CC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)CC(C)(C)O1 C1CC1[*:1] C[C@@H]1CN(CC(C)(C)O1)[C@@H]1CC[C@](C1)([NH2+][*:1])C(=O)[O-]
CCOCCN(C)c1ccc(C(=O)Nc2ccc(C)cc2)cn1 CCOCC[*:1] Cc1ccc(cc1)NC(=O)c1ccc(nc1)N(C)[*:1]
CCOCCN(C)c1ccc(C(=O)Nc2ccc(C)cc2)cn1 CCOC[*:1] Cc1ccc(cc1)NC(=O)c1ccc(nc1)N(C)C[*:1]
CCOCCN(C)c1ccc(C(=O)Nc2ccc(C)cc2)cn1 Cc1ccc(cc1)[*:1] CCOCCN(C)c1ccc(cn1)C(=O)N[*:1]
CCOCCN(C)c1ccc(C(=O)Nc2ccc(C)cc2)cn1 CCOCCN(C)[*:1] Cc1ccc(cc1)NC(=O)c1ccc(nc1)[*:1]
CCOCCN(C)c1ccc(C(=O)Nc2ccc(C)cc2)cn1 CCO[*:1] Cc1ccc(cc1)NC(=O)c1ccc(nc1)N(C)CC[*:1]
CC[C@H]1CN(Cc2cnc(N(C)C)s2)C[C@H](C)O1 CN(C)[*:1] CC[C@H]1CN(Cc2cnc(s2)[*:1])C[C@H](C)O1
Cc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCN(CC1)C(=O)[C@@H]1CCCO1
C[C@H]1CCC[C@H](C)N(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)C1 c1ccc(cc1)C[*:1] C[C@H]1CCC[C@H](C)N(C1)C(=O)N[C@@H](C)c1noc(n1)[*:1]
C[C@H]1CCC[C@H](C)N(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)C1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)N(C1)C(=O)N[C@@H](C)c1noc(C[*:1])n1
CCc1ccc(N2C[C@@H](C(=O)N(C)CCC(=O)OC)CC2=O)cc1 CCc1ccc(cc1)[*:1] COC(=O)CCN(C)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CCc1ccc(N2C[C@@H](C(=O)N(C)CCC(=O)OC)CC2=O)cc1 COC(=O)[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N(C)CC[*:1]
CCc1ccc(N2C[C@@H](C(=O)N(C)CCC(=O)OC)CC2=O)cc1 COC(=O)CC[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N(C)[*:1]
CCc1ccc(N2C[C@@H](C(=O)N(C)CCC(=O)OC)CC2=O)cc1 COC(=O)C[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N(C)C[*:1]
Cc1noc(Cl)c1CCC(=O)N[C@H](Cc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] Cc1noc(Cl)c1CCC(=O)N[C@H](C[*:1])c1ccccc1
Cc1noc(Cl)c1CCC(=O)N[C@H](Cc1ccc(F)cc1)c1ccccc1 Cc1noc(Cl)c1[*:1] O=C(CC[*:1])N[C@H](Cc1ccc(F)cc1)c1ccccc1
Cc1noc(Cl)c1CCC(=O)N[C@H](Cc1ccc(F)cc1)c1ccccc1 Cc1noc(Cl)c1C[*:1] O=C(C[*:1])N[C@H](Cc1ccc(F)cc1)c1ccccc1
Cc1noc(Cl)c1CCC(=O)N[C@H](Cc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)C[*:1] Cc1noc(Cl)c1CCC(=O)N[C@H](c1ccccc1)[*:1]
Cc1noc(Cl)c1CCC(=O)N[C@H](Cc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(Cl)c1CCC(=O)N[C@H](Cc1ccc(F)cc1)[*:1]
Cc1noc(Cl)c1CCC(=O)N[C@H](Cc1ccc(F)cc1)c1ccccc1 Cc1noc(Cl)c1CC[*:1] O=C(N[C@H](Cc1ccc(F)cc1)c1ccccc1)[*:1]
Cc1nnc(CSCCOC[C@@H]2CCCO2)n1C C1CO[C@@H](C1)C[*:1] Cc1nnc(CSCCO[*:1])n1C
Cc1nnc(CSCCOC[C@@H]2CCCO2)n1C C1CO[C@@H](C1)[*:1] Cc1nnc(CSCCOC[*:1])n1C
CCn1cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)cn1 Cc1ccc(cc1)[*:1] CCn1cc(cn1)C(=O)N1CCC(CC1)C(=O)[*:1]
CCn1cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)cn1 CCn1cc(cn1)[*:1] Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)[*:1]
CCOc1ccc([C@H](C)[NH3+])cc1CN1C[C@@H](CC)CC1=O CCO[*:1] CC[C@H]1CC(=O)N(Cc2cc(ccc2[*:1])[C@H](C)[NH3+])C1
Cc1cc(C)c(C)c(OCCCNC(=O)N2CC[C@H](C(N)=O)C2)c1 NC(=O)[*:1] Cc1cc(C)c(C)c(c1)OCCCNC(=O)N1CC[C@H](C1)[*:1]
O=C(NCc1nc(-c2ccccc2F)no1)c1ccco1 c1coc(c1)[*:1] O=C(NCc1nc(no1)-c1ccccc1F)[*:1]
O=C(NCc1nc(-c2ccccc2F)no1)c1ccco1 Fc1ccccc1[*:1] O=C(NCc1nc(no1)[*:1])c1ccco1
CCOc1ccc2cc([C@H]3CC(c4cccs4)=NN3S(C)(=O)=O)c(=O)[nH]c2c1 CCO[*:1] CS(=O)(=O)N1N=C(C[C@@H]1c1cc2ccc(cc2[nH]c1=O)[*:1])c1cccs1
CCOc1ccc2cc([C@H]3CC(c4cccs4)=NN3S(C)(=O)=O)c(=O)[nH]c2c1 c1csc(c1)[*:1] CCOc1ccc2cc(c(=O)[nH]c2c1)[C@H]1CC(=NN1S(C)(=O)=O)[*:1]
CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O Clc1ccc(c(Cl)c1)[*:1] CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O CC(C)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[C@](C)(C#N)[*:1])C1=O)c1ccc(Cl)cc1Cl
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1F C[C@@H]1CCCC[C@H]1[*:1] CCCS(=O)(=O)[N-]c1ccc(cc1F)S(=O)(=O)N[*:1]
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1F CCC[*:1] C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N-]S(=O)(=O)[*:1])c(F)c1
CCC[NH2+][C@@H](c1cc(C)c(F)cc1F)C(C)C CC(C)[*:1] CCC[NH2+][C@@H](c1cc(C)c(F)cc1F)[*:1]
CCC[NH2+][C@@H](c1cc(C)c(F)cc1F)C(C)C CCC[*:1] Cc1cc(c(F)cc1F)[C@H]([NH2+][*:1])C(C)C
Cc1ccc(N2CCOC2=O)cc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C O=C1OCCN1[*:1] Cc1ccc(cc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C)[*:1]
CCN(C(=O)NCc1ccccc1F)[C@H](C)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(C(=O)NCc1ccccc1F)[C@H](C)[*:1]
CCN(C(=O)NCc1ccccc1F)[C@H](C)c1cccc(OC)c1 Fc1ccccc1C[*:1] CCN(C(=O)N[*:1])[C@H](C)c1cccc(c1)OC
CCN(C(=O)NCc1ccccc1F)[C@H](C)c1cccc(OC)c1 Fc1ccccc1[*:1] CCN(C(=O)NC[*:1])[C@H](C)c1cccc(c1)OC
COc1cc(C)c(S(=O)(=O)[C@H](C)c2nc(C3CC3)no2)cc1OC C1CC1c1noc(n1)[*:1] COc1cc(C)c(cc1OC)S(=O)(=O)[C@H](C)[*:1]
COc1cc(C)c(S(=O)(=O)[C@H](C)c2nc(C3CC3)no2)cc1OC C1CC1[*:1] COc1cc(C)c(cc1OC)S(=O)(=O)[C@H](C)c1nc(no1)[*:1]
Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)C3CC3)CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](N1CCN(CC1)C(=O)C1CC1)[*:1]
Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)C3CC3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[*:1])[C@H](c1ccccc1)N1CCN(CC1)C(=O)C1CC1
Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)C3CC3)CC2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@H]1C[C@@H]2C[C@@H](C[C@@H](C(=O)OC)C23SCCS3)C1=O COC(=O)[*:1] COC(=O)[C@@H]1C[C@@H]2C[C@@H](C[C@@H](C2=O)[*:1])C12SCCS2
COC(=O)[C@H]1C[C@@H]2C[C@@H](C[C@@H](C(=O)OC)C23SCCS3)C1=O COC(=O)[*:1] COC(=O)[C@H]1C[C@@H]2C[C@@H](C[C@@H](C23SCCS3)[*:1])C1=O
Cc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccccc2F)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])N(Cc1cccnc1)Cc1ccccc1F
Cc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)N(Cc1cccnc1)C[*:1]
Cc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccccc2F)cc1 Fc1ccccc1C[*:1] Cc1ccc(cc1)NC(=O)N(Cc1cccnc1)[*:1]
Cc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccccc2F)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)NC(=O)N(Cc1ccccc1F)C[*:1]
Cc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccccc2F)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)NC(=O)N(Cc1ccccc1F)[*:1]
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)n1 CCC[*:1] COC(=O)c1c(NC(=O)c2nc(ncc2Cl)S(=O)(=O)[*:1])sc2CCCc21
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)n1 COC(=O)[*:1] CCCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1sc2CCCc2c1[*:1]
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)n1 CCCS(=O)(=O)[*:1] COC(=O)c1c(NC(=O)c2nc(ncc2Cl)[*:1])sc2CCCc21
Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CCOc2ccccc21 CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CCC(=O)N[C@@H]1CCOc2ccccc21
Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CCOc2ccccc21 CC(C)C[*:1] Cc1nn(c(C)c1CCC(=O)N[C@@H]1CCOc2ccccc21)[*:1]
Cc1ccc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H](C[*:1])Nc1ccc(cc1S(N)(=O)=O)[N+](=O)[O-]
Cc1ccc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c(C)c1 NS(=O)(=O)[*:1] Cc1ccc(C[C@@H](C)Nc2ccc(cc2[*:1])[N+](=O)[O-])c(C)c1
Cc1ccc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(C[C@@H](C)Nc2ccc(cc2S(N)(=O)=O)[*:1])c(C)c1
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccco2)CC1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCN(CC1)C(=O)c1ccco1
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
Cc1nc(-c2cccs2)c(CC(=O)Nc2nccs2)s1 c1csc(c1)[*:1] Cc1nc(c(CC(=O)Nc2nccs2)s1)[*:1]
Cc1nc(-c2cccs2)c(CC(=O)Nc2nccs2)s1 c1csc(n1)[*:1] Cc1nc(-c2cccs2)c(CC(=O)N[*:1])s1
NC(=O)C1CCN(C(=O)N[C@H](c2cccs2)C2CCCC2)CC1 NC(=O)[*:1] O=C(N[C@H](c1cccs1)C1CCCC1)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)N[C@H](c2cccs2)C2CCCC2)CC1 c1csc(c1)[*:1] NC(=O)C1CCN(CC1)C(=O)N[C@H](C1CCCC1)[*:1]
NC(=O)C1CCN(C(=O)N[C@H](c2cccs2)C2CCCC2)CC1 C1CCC(C1)[*:1] NC(=O)C1CCN(CC1)C(=O)N[C@H](c1cccs1)[*:1]
CNC(=O)c1cccc(NC(=O)c2ccccc2OCC(C)C)c1 CC(C)CO[*:1] CNC(=O)c1cccc(c1)NC(=O)c1ccccc1[*:1]
CNC(=O)c1cccc(NC(=O)c2ccccc2OCC(C)C)c1 CNC(=O)[*:1] CC(C)COc1ccccc1C(=O)Nc1cccc(c1)[*:1]
CNC(=O)c1cccc(NC(=O)c2ccccc2OCC(C)C)c1 CC(C)C[*:1] CNC(=O)c1cccc(c1)NC(=O)c1ccccc1O[*:1]
CNC(=O)c1cccc(NC(=O)c2ccccc2OCC(C)C)c1 CC(C)[*:1] CNC(=O)c1cccc(c1)NC(=O)c1ccccc1OC[*:1]
CC1(C)[C@@H]2C/C(=N\O)[C@](C)([NH2+]Cc3ccccc3)[C@H]1C2 c1ccc(cc1)[*:1] CC1(C)[C@@H]2C/C(=N\O)[C@](C)([NH2+]C[*:1])[C@H]1C2
C[C@H](NC(=O)C1CCCCC1)C(=O)NC1(c2ccc(Cl)cc2)CC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NC1(CC1)c1ccc(Cl)cc1
C[C@H](NC(=O)C1CCCCC1)C(=O)NC1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)C1CCCCC1)C(=O)NC1(CC1)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccccc3F)C2)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)N1CCO[C@@H](C1)c1ccccc1F)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3ccccc3F)C2)c1 Fc1ccccc1[*:1] COc1ccc(c(c1)C(=O)N1CCO[C@H](C1)[*:1])[N+](=O)[O-]
CC1=C2[C@H](N=N1)OC(N)=C(C#N)[C@@H]2c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC1N=N[C@@H]2OC(N)=C(C#N)[C@@H](C=12)c1cccc(c1)[*:1]
C[C@H](O)[C@@H](C)[NH2+]CCCC(=O)NC1CC1 C1CC1[*:1] C[C@H](O)[C@@H](C)[NH2+]CCCC(=O)N[*:1]
C[C@H](O)[C@@H](C)[NH2+]CCCC(=O)NC1CC1 C[C@H](O)[*:1] C[C@@H]([NH2+]CCCC(=O)NC1CC1)[*:1]
COc1cccc(N2C[C@@H](NC(=O)Cn3c(=O)cc(C)c4ccccc43)CC2=O)c1 COc1cccc(c1)[*:1] Cc1cc(=O)n(CC(=O)N[C@H]2CC(=O)N(C2)[*:1])c2ccccc12
C[C@]12C(=O)N(CCN3CCOCC3)CC(=O)N1CCc1c2[nH]c2ccccc12 C1CN(CCO1)CC[*:1] C[C@]12C(=O)N(CC(=O)N1CCc1c2[nH]c2ccccc12)[*:1]
C[C@]12C(=O)N(CCN3CCOCC3)CC(=O)N1CCc1c2[nH]c2ccccc12 C1CN(CCO1)C[*:1] C[C@]12C(=O)N(CC(=O)N1CCc1c2[nH]c2ccccc12)C[*:1]
C[C@]12C(=O)N(CCN3CCOCC3)CC(=O)N1CCc1c2[nH]c2ccccc12 C1CN(CCO1)[*:1] C[C@]12C(=O)N(CC[*:1])CC(=O)N1CCc1c2[nH]c2ccccc12
CNS(=O)(=O)CCCSc1ccccc1Cl CNS(=O)(=O)[*:1] Clc1ccccc1SCCC[*:1]
Cc1occc1C[NH+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1occc1C[NH+](C)CC(=O)Nc1c(C#N)cnn1[*:1]
Cc1occc1C[NH+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 Cc1occc1[*:1] C[NH+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[*:1]
O=S(=O)(NC1CCCCC1)C1CC1 C1CC1[*:1] O=S(=O)(NC1CCCCC1)[*:1]
Cc1cc(F)c2c(c1)C(=O)C(=O)N2CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cc(F)c2c(c1)C(=O)C(=O)N2CN1CC[NH+](CC1)C[*:1]
Cc1cc(F)c2c(c1)C(=O)C(=O)N2CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1cc(F)c2c(c1)C(=O)C(=O)N2CN1CC[NH+](CC1)[*:1]
CC[NH2+][C@H]([C@H]1CC[C@H](C)C1)[C@@H]1CCc2cccnc21 C[C@H]1CC[C@@H](C1)[*:1] CC[NH2+][C@H]([C@@H]1CCc2cccnc21)[*:1]
CSCCCNC(=O)C(=O)Nc1ccnn1C1CCCCC1 CSCC[*:1] O=C(NC[*:1])C(=O)Nc1ccnn1C1CCCCC1
CSCCCNC(=O)C(=O)Nc1ccnn1C1CCCCC1 C1CCC(CC1)[*:1] CSCCCNC(=O)C(=O)Nc1ccnn1[*:1]
CSCCCNC(=O)C(=O)Nc1ccnn1C1CCCCC1 CSC[*:1] O=C(NCC[*:1])C(=O)Nc1ccnn1C1CCCCC1
CSCCCNC(=O)C(=O)Nc1ccnn1C1CCCCC1 CSCCC[*:1] O=C(Nc1ccnn1C1CCCCC1)C(=O)N[*:1]
COc1ccc(/C=C2\Oc3c(cc4c(c3C)OC[NH+](Cc3cccnc3)C4)C2=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1c2OC[NH+](Cc3cccnc3)Cc2cc2C(=O)C(=C[*:1])Oc21
COc1ccc(/C=C2\Oc3c(cc4c(c3C)OC[NH+](Cc3cccnc3)C4)C2=O)c(OC)c1 c1cncc(c1)C[*:1] COc1ccc(/C=C2\Oc3c(cc4C[NH+](COc4c3C)[*:1])C2=O)c(c1)OC
COc1ccc(/C=C2\Oc3c(cc4c(c3C)OC[NH+](Cc3cccnc3)C4)C2=O)c(OC)c1 c1cncc(c1)[*:1] COc1ccc(/C=C2\Oc3c(cc4C[NH+](COc4c3C)C[*:1])C2=O)c(c1)OC
CC(C)Oc1ccc(CCNC(=O)N2CCc3sccc3C2)cc1 CC(C)O[*:1] O=C(NCCc1ccc(cc1)[*:1])N1CCc2sccc2C1
CC(C)Oc1ccc(CCNC(=O)N2CCc3sccc3C2)cc1 CC(C)[*:1] O=C(NCCc1ccc(cc1)O[*:1])N1CCc2sccc2C1
Cc1ccc([C@H](NC(=O)CCc2nc(=O)c3c4c(sc3[nH]2)CCC4)c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1nc(=O)c2c3CCCc3sc2[nH]1)N[C@H](c1cccs1)[*:1]
Cc1ccc([C@H](NC(=O)CCc2nc(=O)c3c4c(sc3[nH]2)CCC4)c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@H](NC(=O)CCc1nc(=O)c2c3CCCc3sc2[nH]1)[*:1]
Cc1cc(Br)ccc1NC(=O)CNc1ccc(C(=O)NCC(F)(F)F)cc1 FC(F)(F)C[*:1] Cc1cc(Br)ccc1NC(=O)CNc1ccc(cc1)C(=O)N[*:1]
Cc1cc(Br)ccc1NC(=O)CNc1ccc(C(=O)NCC(F)(F)F)cc1 FC(F)(F)[*:1] Cc1cc(Br)ccc1NC(=O)CNc1ccc(cc1)C(=O)NC[*:1]
Cc1cc(Br)ccc1NC(=O)CNc1ccc(C(=O)NCC(F)(F)F)cc1 Cc1cc(Br)ccc1[*:1] O=C(CNc1ccc(cc1)C(=O)NCC(F)(F)F)N[*:1]
Cc1cc(Br)ccc1NC(=O)CNc1ccc(C(=O)NCC(F)(F)F)cc1 O=C(NCC(F)(F)F)[*:1] Cc1cc(Br)ccc1NC(=O)CNc1ccc(cc1)[*:1]
CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1)C[S@](=O)C2 Clc1ccc(cc1)[*:1] CC(C)(C)n1nc2C[S@@](=O)Cc2c1NC(=O)CO[*:1]
CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1)C[S@](=O)C2 CC(C)(C)[*:1] O=C(COc1ccc(Cl)cc1)Nc1c2C[S@](=O)Cc2nn1[*:1]
CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1)C[S@](=O)C2 Clc1ccc(cc1)O[*:1] CC(C)(C)n1nc2C[S@@](=O)Cc2c1NC(=O)C[*:1]
CC(=O)NC1(c2cccc(Br)c2)CCOCC1 CC(=O)N[*:1] Brc1cccc(c1)C1(CCOCC1)[*:1]
NC(=O)CCSc1ccccc1NC(=O)c1scnc1Cl NC(=O)CCS[*:1] O=C(Nc1ccccc1[*:1])c1scnc1Cl
NC(=O)CCSc1ccccc1NC(=O)c1scnc1Cl NC(=O)CC[*:1] O=C(Nc1ccccc1S[*:1])c1scnc1Cl
NC(=O)CCSc1ccccc1NC(=O)c1scnc1Cl NC(=O)C[*:1] O=C(Nc1ccccc1SC[*:1])c1scnc1Cl
NC(=O)CCSc1ccccc1NC(=O)c1scnc1Cl NC(=O)[*:1] O=C(Nc1ccccc1SCC[*:1])c1scnc1Cl
NC(=O)CCSc1ccccc1NC(=O)c1scnc1Cl Clc1ncsc1[*:1] NC(=O)CCSc1ccccc1NC(=O)[*:1]
Cc1ccsc1CN(C)C(=O)c1ccc2c(c1)OCC(=O)N2 Cc1ccsc1C[*:1] CN(C(=O)c1ccc2NC(=O)COc2c1)[*:1]
Cc1ccsc1CN(C)C(=O)c1ccc2c(c1)OCC(=O)N2 Cc1ccsc1[*:1] CN(C[*:1])C(=O)c1ccc2NC(=O)COc2c1
Cn1ncc2c1CCC[C@H]2[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] Cn1ncc2c1CCC[C@H]2[NH2+]CCS(=O)(=O)NC[*:1]
Cn1ncc2c1CCC[C@H]2[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 C1CC[C@@H](C[*:1])OC1 Cn1ncc2c1CCC[C@H]2[NH2+]CCS(=O)(=O)N[*:1]
CN(C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1)C(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] CN(C(=O)[C@H]1CCC(=O)N(C1)C1CCCC1)[*:1]
CN(C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1)C(C1CC1)C1CC1 C1CCC(C1)[*:1] CN(C(=O)[C@H]1CCC(=O)N(C1)[*:1])C(C1CC1)C1CC1
CN(C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1)C(C1CC1)C1CC1 C1CC1[*:1] CN(C(=O)[C@H]1CCC(=O)N(C1)C1CCCC1)C(C1CC1)[*:1]
CCC[C@H]([NH2+]Cc1cc(F)c([O-])c(F)c1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H]([NH2+]Cc1cc(F)c([O-])c(F)c1)[*:1]
CCC[C@H]([NH2+]Cc1cc(F)c([O-])c(F)c1)c1ccccc1 CCC[*:1] [O-]c1c(F)cc(cc1F)C[NH2+][C@H](c1ccccc1)[*:1]
C[C@@H](SCc1ccc(Br)cc1)C(=O)NNC(=O)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](SCc1ccc(Br)cc1)C(=O)NNC(=O)[*:1]
C[C@@H](SCc1ccc(Br)cc1)C(=O)NNC(=O)c1ccccn1 Brc1ccc(cc1)[*:1] C[C@@H](SC[*:1])C(=O)NNC(=O)c1ccccn1
CS(=O)(=O)c1nc2ccccc2n1CCN1CCOCC1 C1CN(CCO1)C[*:1] CS(=O)(=O)c1nc2ccccc2n1C[*:1]
CS(=O)(=O)c1nc2ccccc2n1CCN1CCOCC1 C1CN(CCO1)[*:1] CS(=O)(=O)c1nc2ccccc2n1CC[*:1]
CS(=O)(=O)c1nc2ccccc2n1CCN1CCOCC1 CS(=O)(=O)[*:1] c1ccc2c(c1)nc(n2CCN1CCOCC1)[*:1]
O=C([O-])c1cccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)c1 O=C([O-])[*:1] O=C1C[C@@H](C(=O)N1c1cccc(c1)[*:1])N1CCOCC1
O=C([O-])c1cccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)c1 C1CN(CCO1)[*:1] O=C([O-])c1cccc(c1)N1C(=O)C[C@H](C1=O)[*:1]
C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cc1 C#CC[*:1] C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(cc1)O[*:1]
C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cc1 C#CCO[*:1] C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(cc1)[*:1]
CC(C)(C)N1C[C@H](NC(=O)NC[C@H]2CC(=O)Nc3ccccc32)CC1=O CC(C)(C)[*:1] O=C1C[C@H](CNC(=O)N[C@@H]2CC(=O)N(C2)[*:1])c2ccccc2N1
CC[C@H](C(=O)Nc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC[C@H](C(=O)Nc1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
CC[C@H](C(=O)Nc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 O=C(Nc1ccccc1)[*:1] CC[C@H](N1CCN(CC1)S(=O)(=O)Cc1ccccc1)[*:1]
CC[C@H](C(=O)Nc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1ccccc1)N1CCN(CC1)S(=O)(=O)C[*:1]
CC[C@H](C(=O)Nc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
O=C1NCCN(Cc2ccsc2)[C@@H]1c1ccc(F)cc1 c1cc(cs1)C[*:1] O=C1NCCN([C@@H]1c1ccc(F)cc1)[*:1]
O=C1NCCN(Cc2ccsc2)[C@@H]1c1ccc(F)cc1 c1cc(cs1)[*:1] O=C1NCCN(C[*:1])[C@@H]1c1ccc(F)cc1
CC(C)(C)C(=O)COc1ccc(Cl)c2cccnc12 CC(C)(C)C(=O)[*:1] Clc1ccc(OC[*:1])c2ncccc12
CC(C)(C)C(=O)COc1ccc(Cl)c2cccnc12 CC(C)(C)[*:1] O=C(COc1ccc(Cl)c2cccnc12)[*:1]
O=C(CCNC(=O)c1scnc1C1CC1)NCc1ccncc1 C1CC1[*:1] O=C(CCNC(=O)c1scnc1[*:1])NCc1ccncc1
O=C(CCNC(=O)c1scnc1C1CC1)NCc1ccncc1 c1cc(ccn1)[*:1] O=C(CCNC(=O)c1scnc1C1CC1)NC[*:1]
O=C(CCNC(=O)c1scnc1C1CC1)NCc1ccncc1 c1cc(ccn1)C[*:1] O=C(CCNC(=O)c1scnc1C1CC1)N[*:1]
CCc1ccc(-c2nc(CC(=O)NC[C@@H](C)N3CCOCC3)cs2)cc1 C1CN(CCO1)[*:1] CCc1ccc(cc1)-c1nc(cs1)CC(=O)NC[C@@H](C)[*:1]
CCc1ccc(-c2nc(CC(=O)NC[C@@H](C)N3CCOCC3)cs2)cc1 CCc1ccc(cc1)[*:1] C[C@H](CNC(=O)Cc1csc(n1)[*:1])N1CCOCC1
CC(C)[C@@H](NC(=O)C[C@@H](O)c1ccccc1)c1ccc2c(c1)OCCO2 O[C@@H](c1ccccc1)[*:1] CC(C)[C@@H](NC(=O)C[*:1])c1ccc2OCCOc2c1
CC(C)[C@@H](NC(=O)C[C@@H](O)c1ccccc1)c1ccc2c(c1)OCCO2 CC(C)[*:1] O=C(C[C@@H](O)c1ccccc1)N[C@@H](c1ccc2OCCOc2c1)[*:1]
CC(C)[C@@H](NC(=O)C[C@@H](O)c1ccccc1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)C[C@@H](O)[*:1])c1ccc2OCCOc2c1
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1nnc2ccccn12 O=[N+]([O-])c1cccc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NCCc1nnc2ccccn12
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1nnc2ccccn12 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])C(=O)NCCc1nnc2ccccn12
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] C[C@@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)NCC[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=S)NCc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] N#Cc1ccccc1S(=O)(=O)N1CCN(CC1)C(=S)N[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=S)NCc2ccc3c(c2)OCO3)CC1 N#Cc1ccccc1[*:1] O=S(=O)(N1CCN(CC1)C(=S)NCc1ccc2OCOc2c1)[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=S)NCc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] N#Cc1ccccc1S(=O)(=O)N1CCN(CC1)C(=S)NC[*:1]
Cc1cc(N)c(S(=O)(=O)NCC(=O)[O-])cc1Cl O=C([O-])[*:1] Cc1cc(N)c(cc1Cl)S(=O)(=O)NC[*:1]
Cc1cc(N)c(S(=O)(=O)NCC(=O)[O-])cc1Cl O=C([O-])C[*:1] Cc1cc(N)c(cc1Cl)S(=O)(=O)N[*:1]
COC(=O)C[C@@H](C)SC[C@@H]1CSc2ccccc21 COC(=O)[*:1] C[C@H](C[*:1])SC[C@@H]1CSc2ccccc21
COC(=O)C[C@@H](C)SC[C@@H]1CSc2ccccc21 COC(=O)C[*:1] C[C@@H](SC[C@@H]1CSc2ccccc21)[*:1]
CC1(C)[C@]2(C(=O)NCc3ccco3)CC[C@@]1(C)/C(=N/OC(=O)c1ccc([N+](=O)[O-])cc1)C2 O=[N+]([O-])[*:1] CC1(C)[C@@]2(CC[C@@]1(C)/C(C2)=N/OC(=O)c1ccc(cc1)[*:1])C(=O)NCc1ccco1
CC1(C)[C@]2(C(=O)NCc3ccco3)CC[C@@]1(C)/C(=N/OC(=O)c1ccc([N+](=O)[O-])cc1)C2 c1coc(c1)[*:1] CC1(C)[C@@]2(CC[C@@]1(C)/C(C2)=N/OC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)NC[*:1]
CC1(C)[C@]2(C(=O)NCc3ccco3)CC[C@@]1(C)/C(=N/OC(=O)c1ccc([N+](=O)[O-])cc1)C2 O=[N+]([O-])c1ccc(cc1)[*:1] CC1(C)[C@@]2(CC[C@@]1(C)/C(C2)=N/OC(=O)[*:1])C(=O)NCc1ccco1
CC1(C)[C@]2(C(=O)NCc3ccco3)CC[C@@]1(C)/C(=N/OC(=O)c1ccc([N+](=O)[O-])cc1)C2 O=C(NCc1ccco1)[*:1] CC1(C)[C@@]2(CC[C@@]1(C)/C(C2)=N/OC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CC1(C)[C@]2(C(=O)NCc3ccco3)CC[C@@]1(C)/C(=N/OC(=O)c1ccc([N+](=O)[O-])cc1)C2 c1coc(c1)C[*:1] CC1(C)[C@@]2(CC[C@@]1(C)/C(C2)=N/OC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1nccs1 C[C@H](c1nccs1)[*:1] CN(C)S(=O)(=O)c1ccccc1CN[*:1]
C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1nccs1 CN(C)S(=O)(=O)[*:1] C[C@H](NCc1ccccc1[*:1])c1nccs1
C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1nccs1 c1csc(n1)[*:1] C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)[*:1]
CC(C)c1cc(N2CCC([NH3+])CC2)nc(-c2cccnc2)n1 [NH3+]C1CCN(CC1)[*:1] CC(C)c1cc(nc(n1)-c1cccnc1)[*:1]
CC(C)c1cc(N2CCC([NH3+])CC2)nc(-c2cccnc2)n1 CC(C)[*:1] [NH3+]C1CCN(CC1)c1cc(nc(n1)-c1cccnc1)[*:1]
CC(C)c1cc(N2CCC([NH3+])CC2)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] CC(C)c1cc(nc(n1)[*:1])N1CCC([NH3+])CC1
Cc1cc(C[C@H](C)[NH2+][C@H](C)c2occc2C)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C[C@H](C)[NH2+][C@H](C)c2occc2C)n(n1)[*:1]
Cc1cc(C[C@H](C)[NH2+][C@H](C)c2occc2C)n(-c2ccccc2)n1 Cc1ccoc1[*:1] Cc1cc(C[C@H](C)[NH2+][C@H](C)[*:1])n(n1)-c1ccccc1
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])cc(Cl)c1[O-] O=[N+]([O-])[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cc(cc(Cl)c1[O-])[*:1]
COCCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 COC[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1cc2ccccc2[nH]1
COCCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 COCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cc2ccccc2[nH]1
COCCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 COCCNC(=O)[*:1] O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](C1)[*:1]
O=C(NCc1csc(C2CC2)n1)[C@@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCc1csc(n1)C1CC1)[C@@H]1C[C@H]1[*:1]
O=C(NCc1csc(C2CC2)n1)[C@@H]1C[C@@H]1c1cccc(F)c1 C1CC1[*:1] O=C(NCc1csc(n1)[*:1])[C@@H]1C[C@@H]1c1cccc(F)c1
C[C@H]1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)[C@H](C)C1 C1C[C@H](CO1)O[*:1] C[C@H]1CCN(C(=O)Nc2ccc(cc2)[*:1])[C@H](C)C1
C[C@H]1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)[C@H](C)C1 C1C[C@H](CO1)[*:1] C[C@H]1CCN(C(=O)Nc2ccc(cc2)O[*:1])[C@H](C)C1
COc1ccc([C@]2(CC(=O)N3CCC[C@@H](O)C3)CC(=O)N(CCC(C)C)C2=O)cc1 CC(C)CC[*:1] COc1ccc(cc1)[C@]1(CC(=O)N2CCC[C@@H](O)C2)CC(=O)N(C1=O)[*:1]
COc1ccc([C@]2(CC(=O)N3CCC[C@@H](O)C3)CC(=O)N(CCC(C)C)C2=O)cc1 COc1ccc(cc1)[*:1] CC(C)CCN1C(=O)C[C@@](CC(=O)N2CCC[C@@H](O)C2)(C1=O)[*:1]
COc1ccc([C@]2(CC(=O)N3CCC[C@@H](O)C3)CC(=O)N(CCC(C)C)C2=O)cc1 CC(C)C[*:1] COc1ccc(cc1)[C@]1(CC(=O)N2CCC[C@@H](O)C2)CC(=O)N(C[*:1])C1=O
COc1ccc([C@]2(CC(=O)N3CCC[C@@H](O)C3)CC(=O)N(CCC(C)C)C2=O)cc1 O=C(C[*:1])N1CCC[C@@H](O)C1 COc1ccc(cc1)[C@@]1(CC(=O)N(CCC(C)C)C1=O)[*:1]
COc1ccc([C@]2(CC(=O)N3CCC[C@@H](O)C3)CC(=O)N(CCC(C)C)C2=O)cc1 CC(C)[*:1] COc1ccc(cc1)[C@]1(CC(=O)N2CCC[C@@H](O)C2)CC(=O)N(CC[*:1])C1=O
O=C([C@H](O)c1ccccc1)N1CCC[C@H]1COc1ccccc1 c1ccc(cc1)[*:1] O=C([C@H](O)[*:1])N1CCC[C@H]1COc1ccccc1
O=C([C@H](O)c1ccccc1)N1CCC[C@H]1COc1ccccc1 c1ccc(cc1)O[*:1] O=C([C@H](O)c1ccccc1)N1CCC[C@H]1C[*:1]
O=C([C@H](O)c1ccccc1)N1CCC[C@H]1COc1ccccc1 c1ccc(cc1)[*:1] O=C([C@H](O)c1ccccc1)N1CCC[C@H]1CO[*:1]
Cc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)s1 Cc1nnc(NC(=O)[*:1])s1 Cc1ccc(cc1C)-c1cc(c2ccccc2n1)[*:1]
Cc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)s1 Cc1ccc(cc1C)[*:1] Cc1nnc(NC(=O)c2cc(nc3ccccc23)[*:1])s1
Cc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)s1 Cc1nnc(s1)[*:1] Cc1ccc(cc1C)-c1cc(C(=O)N[*:1])c2ccccc2n1
COc1cccc2c1OCC[C@@H]2NCc1nncn1C1CC1 C1CC1[*:1] COc1cccc2c1OCC[C@@H]2NCc1nncn1[*:1]
Cc1cc(C)n2nc(S[C@@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)nc2n1 Fc1ccc(cc1)[*:1] Cc1cc(C)n2nc(nc2n1)S[C@@H]1CCCCN(C1=O)C(=O)[*:1]
C=CCc1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1O C=CC[*:1] O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(c(O)c1)[*:1]
Cc1cc(Br)cnc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] Cc1cc(Br)cnc1NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
Cc1cc(Br)cnc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 Cc1cc(Br)cnc1[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCc2ccccc2)C1
Cc1cc(Br)cnc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1cc(Br)cnc1NC(=O)[C@H]1CC(=O)N(CC[*:1])C1
Cc1cc(Br)cnc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] Cc1cc(Br)cnc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)NC1CC1 C1CC1[*:1] C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)N[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)NC1CC1 c1coc(c1)[*:1] C[C@H](Sc1nnc(n1C)[*:1])C(=O)NC1CC1
C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1C)[*:1]
CC1(C)CN(C(=O)c2cn(Cc3ccccc3)nn2)c2ccccc2S1 c1ccc(cc1)C[*:1] CC1(C)CN(C(=O)c2cn(nn2)[*:1])c2ccccc2S1
CC1(C)CN(C(=O)c2cn(Cc3ccccc3)nn2)c2ccccc2S1 c1ccc(cc1)[*:1] CC1(C)CN(C(=O)c2cn(C[*:1])nn2)c2ccccc2S1
Cc1cnc([C@@H](C)NC(=O)N(C)Cc2ccncc2)s1 c1cc(ccn1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N(C)C[*:1]
Cc1cnc([C@@H](C)NC(=O)N(C)Cc2ccncc2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)N(C)Cc1ccncc1)[*:1]
O=C(Nc1cccc(Br)c1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(Br)c1)C1(CCOCC1)[*:1]
O=C(Nc1cccc(Br)c1)C1(c2ccccc2)CCOCC1 Brc1cccc(c1)[*:1] O=C(N[*:1])C1(CCOCC1)c1ccccc1
O=C([O-])c1cccnc1N1CC[NH2+]CC1 O=C([O-])[*:1] c1cnc(c(c1)[*:1])N1CC[NH2+]CC1
CCc1ccc(O)c(NC(=O)c2cccc(-n3ccnc3)c2)c1 c1cn(cn1)[*:1] CCc1ccc(O)c(c1)NC(=O)c1cccc(c1)[*:1]
COc1cc(C)ccc1N[C@H](C)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] COc1cc(C)ccc1N[C@H](C)c1nnc(o1)[*:1]
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nncn2C(C)C)C1 CC(C)[*:1] Cc1cc(cnc1N1CCC[C@@H](C1)c1nncn1[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nncn2C(C)C)C1 CC(C)n1cnnc1[*:1] Cc1cc(cnc1N1CCC[C@H](C1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nncn2C(C)C)C1 O=[N+]([O-])[*:1] Cc1cc(cnc1N1CCC[C@@H](C1)c1nncn1C(C)C)[*:1]
CCOC(=O)Nn1c(C)c(C(N)=O)c(C(=O)OC)c1C NC(=O)[*:1] CCOC(=O)Nn1c(C)c(C(=O)OC)c(c1C)[*:1]
CCOC(=O)Nn1c(C)c(C(N)=O)c(C(=O)OC)c1C COC(=O)[*:1] CCOC(=O)Nn1c(C)c(C(N)=O)c(c1C)[*:1]
Cc1ccccc1NC(=O)c1csc(-c2cc3ccccc3[nH]2)n1 Cc1ccccc1[*:1] O=C(N[*:1])c1csc(n1)-c1cc2ccccc2[nH]1
CC(C)C[C@H]1C[C@H]2[C@@H](O1)c1ccccc1OC2(C)C CC(C)[*:1] CC1(C)Oc2ccccc2[C@@H]2O[C@H](C[C@@H]21)C[*:1]
CC(C)C[C@H]1C[C@H]2[C@@H](O1)c1ccccc1OC2(C)C CC(C)C[*:1] CC1(C)Oc2ccccc2[C@@H]2O[C@H](C[C@@H]21)[*:1]
CCCN(CC1CC1)C(=O)c1cccc(C(F)(F)F)c1N C1CC1[*:1] CCCN(C[*:1])C(=O)c1cccc(c1N)C(F)(F)F
CCCN(CC1CC1)C(=O)c1cccc(C(F)(F)F)c1N CCC[*:1] Nc1c(cccc1C(F)(F)F)C(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)c1cccc(C(F)(F)F)c1N FC(F)(F)[*:1] CCCN(CC1CC1)C(=O)c1cccc(c1N)[*:1]
CCCN(CC1CC1)C(=O)c1cccc(C(F)(F)F)c1N C1CC1C[*:1] CCCN(C(=O)c1cccc(c1N)C(F)(F)F)[*:1]
COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCCN3C(=O)CC(C)C)nc21 COc1ccccc1[*:1] Cc1nc(nc2c1CCC(=O)N2C[*:1])[C@@H]1CCCN1C(=O)CC(C)C
COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCCN3C(=O)CC(C)C)nc21 COc1ccccc1C[*:1] Cc1nc(nc2c1CCC(=O)N2[*:1])[C@@H]1CCCN1C(=O)CC(C)C
COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCCN3C(=O)CC(C)C)nc21 CC(C)C[*:1] COc1ccccc1CN1C(=O)CCc2c(C)nc(nc21)[C@@H]1CCCN1C(=O)[*:1]
COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCCN3C(=O)CC(C)C)nc21 CC(C)[*:1] COc1ccccc1CN1C(=O)CCc2c(C)nc(nc21)[C@@H]1CCCN1C(=O)C[*:1]
C[NH+]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)CC1 O=C([O-])[*:1] C[NH+]1CCN(CC1)c1nc2c(cc1F)c(=O)c(cn2-c1ccc(F)cc1F)[*:1]
C[NH+]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] C[NH+]1CCN(CC1)c1nc2c(cc1F)c(=O)c(cn2[*:1])C(=O)[O-]
CC(=O)c1c(C)nn(C[C@H](O)COc2ccc3ccccc3c2)c1C CC(=O)[*:1] Cc1nn(C[C@H](O)COc2ccc3ccccc3c2)c(C)c1[*:1]
NC(=O)c1ccc(COC(=O)c2cccs2)cc1 c1csc(c1)[*:1] NC(=O)c1ccc(cc1)COC(=O)[*:1]
NC(=O)c1ccc(COC(=O)c2cccs2)cc1 NC(=O)[*:1] O=C(OCc1ccc(cc1)[*:1])c1cccs1
Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C1)[*:1]
Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 CC(C)(C)NC(=O)[*:1] Cc1nn(C[*:1])c(C)c1S(=O)(=O)N1CCC[C@H](C1)C(=O)[O-]
Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 CC(C)(C)NC(=O)C[*:1] Cc1nn(c(C)c1S(=O)(=O)N1CCC[C@H](C1)C(=O)[O-])[*:1]
Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 CC(C)(C)[*:1] Cc1nn(CC(=O)N[*:1])c(C)c1S(=O)(=O)N1CCC[C@H](C1)C(=O)[O-]
C=CCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 C=CC[*:1] O=C1S/C(=C/c2ccc(cc2)O[*:1])C(=O)N1c1ccccc1
C=CCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 C=CCO[*:1] O=C1S/C(=C/c2ccc(cc2)[*:1])C(=O)N1c1ccccc1
C=CCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] C=CCOc1ccc(/C=C2/SC(=O)N(C2=O)[*:1])cc1
Cc1cc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)nn1C FC(F)(F)[*:1] Cc1cc(nn1C)NC(=O)N[C@H](C[*:1])c1ccc(F)cc1
Cc1cc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)nn1C Cc1cc(nn1C)[*:1] O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N[*:1]
Cc1cc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)nn1C FC(F)(F)C[*:1] Cc1cc(nn1C)NC(=O)N[C@H](c1ccc(F)cc1)[*:1]
Cc1cc(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)nn1C Fc1ccc(cc1)[*:1] Cc1cc(nn1C)NC(=O)N[C@H](CC(F)(F)F)[*:1]
Cc1ccc(NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)s1 Cc1ccc(s1)[*:1] C[C@@H](NC(=O)N[*:1])c1nc(no1)C(C)(C)C
Cc1ccc(NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)s1 CC(C)(C)[*:1] Cc1ccc(NC(=O)N[C@H](C)c2nc(no2)[*:1])s1
COc1cc(OC)cc(C(=O)Nc2ccc(SC[C@@H]3[NH+]=c4ccccc4=[NH+]C3=O)cc2)c1 COc1cc(cc(c1)[*:1])OC O=C1[NH+]=c2ccccc2=[NH+][C@H]1CSc1ccc(cc1)NC(=O)[*:1]
CN(C(=O)C(C)(C)C)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 CC(C)(C)[*:1] CN(C(=O)[*:1])c1nnc(s1)C12CC3CC(CC(C3)C1)C2
COc1ccc(NC(=O)Nc2cncc3ccccc23)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])NC(=O)Nc1cncc2ccccc12
O=C(NC1CCN(C(=O)C2=NO[C@@H](c3ccccc3)C2)CC1)C1CCCCC1 c1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)C1C[C@H](ON=1)[*:1])C1CCCCC1
O=C(NC1CCN(C(=O)C2=NO[C@@H](c3ccccc3)C2)CC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(C1C[C@@H](ON=1)c1ccccc1)N1CCC(CC1)NC(=O)[*:1]
O=C(NC1CCN(C(=O)C2=NO[C@@H](c3ccccc3)C2)CC1)C1CCCCC1 O=C(N[*:1])C1CCCCC1 O=C(C1C[C@@H](ON=1)c1ccccc1)N1CCC(CC1)[*:1]
COc1ccc(-c2cc(=O)[nH]c(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(=O)[nH]c(n1)N1CC[NH+](CC1)C[*:1]
COc1ccc(-c2cc(=O)[nH]c(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 COc1ccc(cc1)[*:1] O=c1cc(nc([nH]1)N1CC[NH+](CC1)Cc1ccccc1)[*:1]
COc1ccc(-c2cc(=O)[nH]c(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1cc(=O)[nH]c(n1)N1CC[NH+](CC1)[*:1]
O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCCCCC1 O=[N+]([O-])[*:1] O=C(CCn1cc(cn1)[*:1])NC1CCCCCC1
CO[C@@H]1CC[C@@H]2OCCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)[C@H]2C1 CC(C)[*:1] CO[C@@H]1CC[C@@H]2OCCN(c3cc([nH+]c(n3)C(C)C)[*:1])[C@H]2C1
CO[C@@H]1CC[C@@H]2OCCN(c3cc(C(C)C)[nH+]c(C(C)C)n3)[C@H]2C1 CC(C)[*:1] CO[C@@H]1CC[C@@H]2OCCN(c3cc([nH+]c(n3)[*:1])C(C)C)[C@H]2C1
CN(CC(=O)Nc1ccccc1)C(=O)c1ccc2c(c1)COCO2 c1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc2OCOCc2c1
FC(F)(F)c1nc2ccccc2n1Cc1ccccc1 c1ccc(cc1)[*:1] FC(F)(F)c1nc2ccccc2n1C[*:1]
FC(F)(F)c1nc2ccccc2n1Cc1ccccc1 FC(F)(F)[*:1] c1ccc(cc1)Cn1c(nc2ccccc21)[*:1]
COCC[C@H](C)C(=O)N(C)C1(C(=O)OC)CCCCC1 COC[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)[C@@H](C)C[*:1]
COCC[C@H](C)C(=O)N(C)C1(C(=O)OC)CCCCC1 COCC[C@H](C)[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)[*:1]
COCC[C@H](C)C(=O)N(C)C1(C(=O)OC)CCCCC1 COCC[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)[C@@H](C)[*:1]
COCC[C@H](C)C(=O)N(C)C1(C(=O)OC)CCCCC1 COC(=O)[*:1] COCC[C@H](C)C(=O)N(C)C1(CCCCC1)[*:1]
CCOC(=O)c1ccc(NC(=O)N[C@H]2CCCn3c(C)nnc32)cc1 CCOC(=O)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)Nc1ccc(cc1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)nc2)C1 CC(C)CCO[*:1] O=C(c1ccc(nc1)N1CCCC1)N1CC[C@H](C1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)nc2)C1 C1CCN(C1)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)c1ccc(nc1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)nc2)C1 CC(C)CC[*:1] O=C(c1ccc(nc1)N1CCCC1)N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)nc2)C1 CC(C)C[*:1] O=C(c1ccc(nc1)N1CCCC1)N1CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)nc2)C1 CC(C)[*:1] O=C(c1ccc(nc1)N1CCCC1)N1CC[C@H](C1)OCC[*:1]
C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1nncs1 Brc1ccc(cc1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Nc1nncs1
C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1nncs1 c1nnc(s1)[*:1] C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[*:1]
[NH3+][C@@H]1CCCCC[C@H]1c1nc2ccccc2n1CCO OCC[*:1] [NH3+][C@@H]1CCCCC[C@H]1c1nc2ccccc2n1[*:1]
Cc1c(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cnn1C c1csc(c1)[*:1] Cc1c(cnn1C)C(=O)N1CCC[C@@H](C1)c1nc(cc(=O)[nH]1)[*:1]
Cc1c(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cnn1C Cc1c(cnn1C)[*:1] O=C(N1CCC[C@@H](C1)c1nc(cc(=O)[nH]1)-c1cccs1)[*:1]
CCN(CC)C(=O)CCCNC(=O)Nc1ccc2nc(C)sc2c1 CCN(CC)C(=O)[*:1] Cc1nc2ccc(cc2s1)NC(=O)NCCC[*:1]
CCN(CC)C(=O)CCCNC(=O)Nc1ccc2nc(C)sc2c1 CCN(CC)C(=O)C[*:1] Cc1nc2ccc(cc2s1)NC(=O)NCC[*:1]
C=C(C)CN(CC)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O C=C(C)[*:1] CCN(C[*:1])C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O
C=C(C)CN(CC)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O C=C(C)C[*:1] CCN(C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)[*:1]
Cc1ccccc1S(=O)(=O)CCc1scnc1C Cc1ncsc1[*:1] Cc1ccccc1S(=O)(=O)CC[*:1]
Cc1[nH+]cn(C[C@@H](C)[NH2+]CCNC(=O)c2ccc(Cl)c(Cl)c2)c1C Clc1ccc(cc1Cl)[*:1] Cc1[nH+]cn(C[C@@H](C)[NH2+]CCNC(=O)[*:1])c1C
CC(C)[C@@H](CO)Nc1ccc(C(=O)[O-])nn1 CC(C)[*:1] O=C([O-])c1ccc(nn1)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)Nc1ccc(C(=O)[O-])nn1 O=C([O-])[*:1] CC(C)[C@@H](CO)Nc1ccc(nn1)[*:1]
Cc1cc(S(=O)(=O)Nc2cccc(I)c2)ccc1OCC(=O)[O-] Ic1cccc(c1)[*:1] Cc1cc(ccc1OCC(=O)[O-])S(=O)(=O)N[*:1]
Cc1cc(S(=O)(=O)Nc2cccc(I)c2)ccc1OCC(=O)[O-] O=C([O-])C[*:1] Cc1cc(ccc1O[*:1])S(=O)(=O)Nc1cccc(I)c1
Cc1cc(S(=O)(=O)Nc2cccc(I)c2)ccc1OCC(=O)[O-] O=C([O-])CO[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)Nc1cccc(I)c1
Cc1cc(S(=O)(=O)Nc2cccc(I)c2)ccc1OCC(=O)[O-] O=C([O-])[*:1] Cc1cc(ccc1OC[*:1])S(=O)(=O)Nc1cccc(I)c1
C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 FC(F)(F)c1cccc(c1)[*:1] C[C@H](c1nc(no1)[*:1])N1CCN(CC1)C(=O)c1ccc(o1)[N+](=O)[O-]
C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 O=[N+]([O-])[*:1] C[C@H](c1nc(no1)-c1cccc(c1)C(F)(F)F)N1CCN(CC1)C(=O)c1ccc(o1)[*:1]
C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 FC(F)(F)[*:1] C[C@H](c1nc(no1)-c1cccc(c1)[*:1])N1CCN(CC1)C(=O)c1ccc(o1)[N+](=O)[O-]
C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 O=[N+]([O-])c1ccc(o1)[*:1] C[C@H](c1nc(no1)-c1cccc(c1)C(F)(F)F)N1CCN(CC1)C(=O)[*:1]
CS(=O)(=O)[C@H]1CCC[C@]1(O)[C@]1(C[NH3+])CCc2ccccc21 CS(=O)(=O)[*:1] [NH3+]C[C@]1(CCc2ccccc21)[C@@]1(O)CCC[C@@H]1[*:1]
CC[C@H]1N=N/C(=N\C(=O)Cc2ccc(NC(C)=O)cc2)S1 CC(=O)N[*:1] CC[C@H]1N=N/C(=N\C(=O)Cc2ccc(cc2)[*:1])S1
CC(C)c1c([O-])nc(SCC(=O)NCc2ccco2)[nH]c1=O c1coc(c1)[*:1] CC(C)c1c([O-])nc([nH]c1=O)SCC(=O)NC[*:1]
CC(C)c1c([O-])nc(SCC(=O)NCc2ccco2)[nH]c1=O CC(C)[*:1] O=C(CSc1nc([O-])c(c(=O)[nH]1)[*:1])NCc1ccco1
CC(C)c1c([O-])nc(SCC(=O)NCc2ccco2)[nH]c1=O c1coc(c1)C[*:1] CC(C)c1c([O-])nc([nH]c1=O)SCC(=O)N[*:1]
Cc1ccc(NC(=O)N[C@H](C)c2ccccc2Cl)c(OCC(=O)N(C)C)c1 C[C@H](c1ccccc1Cl)[*:1] Cc1ccc(NC(=O)N[*:1])c(c1)OCC(=O)N(C)C
Cc1ccc(NC(=O)N[C@H](C)c2ccccc2Cl)c(OCC(=O)N(C)C)c1 CN(C)C(=O)CO[*:1] Cc1ccc(NC(=O)N[C@H](C)c2ccccc2Cl)c(c1)[*:1]
Cc1ccc(NC(=O)N[C@H](C)c2ccccc2Cl)c(OCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccc(NC(=O)N[C@H](C)c2ccccc2Cl)c(c1)OC[*:1]
Cc1ccc(NC(=O)N[C@H](C)c2ccccc2Cl)c(OCC(=O)N(C)C)c1 Clc1ccccc1[*:1] Cc1ccc(NC(=O)N[C@H](C)[*:1])c(c1)OCC(=O)N(C)C
Cc1ccc(NC(=O)N[C@H](C)c2ccccc2Cl)c(OCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] Cc1ccc(NC(=O)N[C@H](C)c2ccccc2Cl)c(c1)O[*:1]
CCC[C@H](C#N)[C@]1(O)CCO[C@H](C)C1 CCC[*:1] C[C@@H]1C[C@@](O)(CCO1)[C@@H](C#N)[*:1]
C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCC2CCCCC2)CC1 C1CCC(CC1)[*:1] C[NH+]1CCC(CC1)N(Cc1ccco1)C(=O)NCC[*:1]
C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCC2CCCCC2)CC1 C1CCC(CC1)CC[*:1] C[NH+]1CCC(CC1)N(Cc1ccco1)C(=O)N[*:1]
C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCC2CCCCC2)CC1 c1coc(c1)C[*:1] C[NH+]1CCC(CC1)N(C(=O)NCCC1CCCCC1)[*:1]
C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCC2CCCCC2)CC1 C1CCC(CC1)C[*:1] C[NH+]1CCC(CC1)N(Cc1ccco1)C(=O)NC[*:1]
C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCC2CCCCC2)CC1 c1coc(c1)[*:1] C[NH+]1CCC(CC1)N(C[*:1])C(=O)NCCC1CCCCC1
CC(C)NC(=O)CN(C)C(=O)CCc1nncn1-c1ccccc1 CC(C)[*:1] CN(CC(=O)N[*:1])C(=O)CCc1nncn1-c1ccccc1
CC(C)NC(=O)CN(C)C(=O)CCc1nncn1-c1ccccc1 CC(C)NC(=O)C[*:1] CN(C(=O)CCc1nncn1-c1ccccc1)[*:1]
CC(C)NC(=O)CN(C)C(=O)CCc1nncn1-c1ccccc1 CC(C)NC(=O)[*:1] CN(C[*:1])C(=O)CCc1nncn1-c1ccccc1
CC(C)NC(=O)CN(C)C(=O)CCc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)NC(=O)CN(C)C(=O)CCc1nncn1[*:1]
Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cc(C)no3)sc2c1 Cc1cc(on1)[*:1] Cc1ccc2nc(sc2c1)N(CC[NH+](C)C)C(=O)[*:1]
Cc1cccc(C)c1NC(=O)C(=O)NCC1CC[NH+](C(C)C)CC1 Cc1cccc(C)c1[*:1] CC(C)[NH+]1CCC(CC1)CNC(=O)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)C(=O)NCC1CC[NH+](C(C)C)CC1 CC(C)[*:1] Cc1cccc(C)c1NC(=O)C(=O)NCC1CC[NH+](CC1)[*:1]
O=C(C[C@@H]1C=CCC1)N1CCc2sccc2[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(C[C@@H]1C=CCC1)N1CCc2sccc2[C@@H]1[*:1]
CC(C)c1cc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)n(C)n1 CC(C)c1cc(n(C)n1)[*:1] O=C(Nc1ccccn1)c1cccc(c1)NC(=O)[*:1]
CC(C)c1cc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)n(C)n1 O=C(Nc1ccccn1)[*:1] CC(C)c1cc(C(=O)Nc2cccc(c2)[*:1])n(C)n1
CC(C)c1cc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)Nc1cccc(c1)C(=O)Nc1ccccn1)[*:1]
CC(C)c1cc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)n(C)n1 c1ccc(nc1)[*:1] CC(C)c1cc(C(=O)Nc2cccc(c2)C(=O)N[*:1])n(C)n1
COc1ccc(CNC(=O)C2CCN(C(=O)[C@H]3Sc4ccccc4NC3=O)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)[C@H]1Sc2ccccc2NC1=O
COc1ccc(CNC(=O)C2CCN(C(=O)[C@H]3Sc4ccccc4NC3=O)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@H]1Sc2ccccc2NC1=O
O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 c1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(C(=O)NNC(=O)CCc2c(C)nn(C)c2C)o1 Cc1ccc(o1)[*:1] Cc1nn(C)c(C)c1CCC(=O)NNC(=O)[*:1]
CC(/C=N/NC(=O)CSc1nc2ccccc2[nH]1)=C\c1ccccc1 c1ccc(cc1)[*:1] CC(/C=N/NC(=O)CSc1nc2ccccc2[nH]1)=C[*:1]
C[C@](O)(CNC(=O)Nc1ccc(C(N)=O)c(F)c1)c1ccsc1 NC(=O)[*:1] C[C@](O)(CNC(=O)Nc1ccc(c(F)c1)[*:1])c1ccsc1
C[C@](O)(CNC(=O)Nc1ccc(C(N)=O)c(F)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNC(=O)Nc1ccc(C(N)=O)c(F)c1)[*:1]
COc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)O CC(C)(O)[*:1] COc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[*:1]
COc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)O CC(C)(O)C[*:1] COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[*:1]
CC[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccccc2OC)C1=O COc1ccccc1[*:1] CC[C@@H]1Oc2ccccc2N(CC(=O)N[*:1])C1=O
CC(C)Oc1cccnc1C(=O)Nc1cccc(Oc2cnccn2)c1 CC(C)O[*:1] O=C(Nc1cccc(c1)Oc1cnccn1)c1ncccc1[*:1]
CC(C)Oc1cccnc1C(=O)Nc1cccc(Oc2cnccn2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)Oc1cnccn1)c1ncccc1O[*:1]
CC(C)Oc1cccnc1C(=O)Nc1cccc(Oc2cnccn2)c1 c1cnc(cn1)O[*:1] CC(C)Oc1cccnc1C(=O)Nc1cccc(c1)[*:1]
CC(C)Oc1cccnc1C(=O)Nc1cccc(Oc2cnccn2)c1 c1cnc(cn1)[*:1] CC(C)Oc1cccnc1C(=O)Nc1cccc(c1)O[*:1]
CCN(CC)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCN(CC)C(=O)NCCNS(=O)(=O)[*:1]
CC(C)CC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1 CC(C)C[*:1] O=C1C[C@H](CN1c1ccc(cc1)OC(F)(F)F)c1nnc(NC(=O)[*:1])o1
CC(C)CC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1 FC(F)(F)O[*:1] CC(C)CC(=O)Nc1nnc(o1)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CC(C)CC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1 CC(C)CC(=O)N[*:1] O=C1C[C@H](CN1c1ccc(cc1)OC(F)(F)F)c1nnc(o1)[*:1]
CC(C)CC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1 CC(C)[*:1] O=C(C[*:1])Nc1nnc(o1)[C@@H]1CC(=O)N(C1)c1ccc(cc1)OC(F)(F)F
CC(C)CC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1 FC(F)(F)[*:1] CC(C)CC(=O)Nc1nnc(o1)[C@@H]1CC(=O)N(C1)c1ccc(cc1)O[*:1]
O=C(C[C@@H](O)c1ccccc1)N[C@H]1CCN(c2ccccc2F)C1=O O[C@@H](c1ccccc1)[*:1] O=C(C[*:1])N[C@H]1CCN(C1=O)c1ccccc1F
O=C(C[C@@H](O)c1ccccc1)N[C@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] O=C(C[C@@H](O)c1ccccc1)N[C@H]1CCN(C1=O)[*:1]
O=C(C[C@@H](O)c1ccccc1)N[C@H]1CCN(c2ccccc2F)C1=O c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N[C@H]1CCN(C1=O)c1ccccc1F
CN(C(=O)Cc1ccc2c(c1)CCC2)C1(C#N)CCC1 N#CC1(CCC1)[*:1] CN(C(=O)Cc1ccc2CCCc2c1)[*:1]
COCC[C@H](NC(=O)c1ccc(C)cc1F)C(=O)[O-] O=C([O-])[*:1] COCC[C@H](NC(=O)c1ccc(C)cc1F)[*:1]
COCC[C@H](NC(=O)c1ccc(C)cc1F)C(=O)[O-] COC[*:1] Cc1ccc(C(=O)N[C@@H](C[*:1])C(=O)[O-])c(F)c1
COCC[C@H](NC(=O)c1ccc(C)cc1F)C(=O)[O-] COCC[*:1] Cc1ccc(C(=O)N[C@H](C(=O)[O-])[*:1])c(F)c1
COc1cccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccccc3)c3ccccc32)c1 COc1cccc(c1)[*:1] C[C@H]1C[C@@H](N[*:1])c2ccccc2N1C(=O)c1ccccc1
COc1cccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccccc3)c3ccccc32)c1 COc1cccc(c1)N[*:1] C[C@H]1C[C@H](c2ccccc2N1C(=O)c1ccccc1)[*:1]
COc1cccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccccc3)c3ccccc32)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N[C@@H]1C[C@H](C)N(C(=O)[*:1])c2ccccc21
COc1ccc([C@@H]2CCN(C(=O)/C=C/C3CC3)C2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H]1CCN(C1)C(=O)C=C[*:1]
COc1ccc([C@@H]2CCN(C(=O)/C=C/C3CC3)C2)cc1 C(=C[*:1])C1CC1 COc1ccc(cc1)[C@@H]1CCN(C1)C(=O)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC CNS(=O)(=O)C[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC CNS(=O)(=O)[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)C[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC CCS[*:1] CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1[*:1]
O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1)c1ccccc1 Clc1ccc(cc1Cl)[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1])c1ccccc1
O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1)[*:1]
Cc1c(C(=O)N(C)CC(F)(F)F)nnn1-c1ccccc1Cl Clc1ccccc1[*:1] Cc1c(nnn1[*:1])C(=O)N(C)CC(F)(F)F
Cc1c(C(=O)N(C)CC(F)(F)F)nnn1-c1ccccc1Cl FC(F)(F)[*:1] Cc1c(nnn1-c1ccccc1Cl)C(=O)N(C)C[*:1]
Cc1c(C(=O)N(C)CC(F)(F)F)nnn1-c1ccccc1Cl FC(F)(F)C[*:1] Cc1c(nnn1-c1ccccc1Cl)C(=O)N(C)[*:1]
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)NCc1ccc(F)cc1)CC2 Fc1ccc(cc1)C[*:1] CC(C)NC(=O)Nc1nc2CCN(Cc2s1)C(=O)N[*:1]
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)NCc1ccc(F)cc1)CC2 CC(C)NC(=O)N[*:1] O=C(NCc1ccc(F)cc1)N1CCc2nc(sc2C1)[*:1]
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)NCc1ccc(F)cc1)CC2 CC(C)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)NCc1ccc(F)cc1)N[*:1]
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)NCc1ccc(F)cc1)CC2 Fc1ccc(cc1)[*:1] CC(C)NC(=O)Nc1nc2CCN(Cc2s1)C(=O)NC[*:1]
O=C1CCN(CC(=O)N2CCCC[C@H]2c2nccs2)C(=O)N1 c1csc(n1)[*:1] O=C1CCN(CC(=O)N2CCCC[C@@H]2[*:1])C(=O)N1
CCc1nn(C)cc1CNc1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] CCc1nn(C)cc1CNc1cccc(c1)[*:1]
CC(C)(C)NC(=O)N1CCC(CNC(=O)[C@@H]2CC=CCC2)CC1 CC(C)(C)[*:1] O=C(NCC1CCN(CC1)C(=O)N[*:1])[C@@H]1CC=CCC1
COc1ccc(OCC(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1 COc1ccc(cc1)OC[*:1] C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)[*:1]
COc1ccc(OCC(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)N1c2ccccc2[C@@H](C[C@@H]1C)N[*:1]
COc1ccc(OCC(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1 c1ccc(cc1)N[*:1] COc1ccc(cc1)OCC(=O)N1c2ccccc2[C@H](C[C@@H]1C)[*:1]
COc1ccc(OCC(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1 COc1ccc(cc1)[*:1] C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)CO[*:1]
COc1ccc(OCC(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1 COc1ccc(cc1)O[*:1] C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)C[*:1]
COc1cc(C)ccc1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 C1CC1[*:1] COc1cc(C)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
COc1cc(C)ccc1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 O=S(=O)(NC1CC1)[*:1] COc1cc(C)ccc1NC(=O)c1cccc(c1)[*:1]
CC(=O)Nc1ccc(OC[C@H](O)Cn2nc(-c3ccccc3)oc2=O)cc1 CC(=O)N[*:1] O=c1oc(nn1C[C@@H](O)COc1ccc(cc1)[*:1])-c1ccccc1
CC(=O)Nc1ccc(OC[C@H](O)Cn2nc(-c3ccccc3)oc2=O)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)OC[C@H](O)Cn1nc(oc1=O)[*:1]
Cc1cc(C)c(NC(=O)CCN2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCC(=O)N[*:1])C2=O
CCCCC/C=C\CC(=O)OC CCC[*:1] COC(=O)C/C=C\CC[*:1]
CCCCC/C=C\CC(=O)OC CCCC[*:1] COC(=O)C/C=C\C[*:1]
CCCCC/C=C\CC(=O)OC COC(=O)[*:1] CCCCC/C=C\C[*:1]
CCCc1cc2c(c(=O)[nH]1)[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 COC(=O)[*:1] CCCc1cc2OC(N)=C(C#N)[C@@H](c3ccc(cc3)[*:1])c2c(=O)[nH]1
CCCc1cc2c(c(=O)[nH]1)[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2 CCC[*:1] COC(=O)c1ccc(cc1)[C@@H]1C(C#N)=C(N)Oc2cc([nH]c(=O)c21)[*:1]
O=C(Nc1ccc(F)cc1)N1CCC(CNS(=O)(=O)C2CC2)CC1 Fc1ccc(cc1)[*:1] O=C(N[*:1])N1CCC(CC1)CNS(=O)(=O)C1CC1
O=C(Nc1ccc(F)cc1)N1CCC(CNS(=O)(=O)C2CC2)CC1 O=S(=O)(N[*:1])C1CC1 O=C(Nc1ccc(F)cc1)N1CCC(CC1)C[*:1]
O=C(Nc1ccc(F)cc1)N1CCC(CNS(=O)(=O)C2CC2)CC1 C1CC1[*:1] O=C(Nc1ccc(F)cc1)N1CCC(CC1)CNS(=O)(=O)[*:1]
O=C(Nc1ccc(F)cc1)N1CCC(CNS(=O)(=O)C2CC2)CC1 O=S(=O)(NC[*:1])C1CC1 O=C(Nc1ccc(F)cc1)N1CCC(CC1)[*:1]
Cc1nc2sc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)c(C)c2c(=O)[nH]1 c1coc(c1)[*:1] Cc1nc2sc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3C[*:1])c(C)c2c(=O)[nH]1
Cc1nc2sc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)c(C)c2c(=O)[nH]1 c1coc(c1)C[*:1] Cc1nc2sc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3[*:1])c(C)c2c(=O)[nH]1
CCOc1ccccc1CCNC(=O)Nc1cc(C(=O)NC)ccc1Cl CNC(=O)[*:1] CCOc1ccccc1CCNC(=O)Nc1cc(ccc1Cl)[*:1]
CCOc1ccccc1CCNC(=O)Nc1cc(C(=O)NC)ccc1Cl CCO[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)NCCc1ccccc1[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCCO)cc1 O=C(OCCO)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCCO)cc1 OCC[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)C(=O)O[*:1]
C/C(=N/NC(=O)Cc1ccccc1)c1cccc(Br)c1 c1ccc(cc1)[*:1] C/C(=N/NC(=O)C[*:1])c1cccc(Br)c1
COC(C)(C)C(=O)CC1CC1 C1CC1[*:1] COC(C)(C)C(=O)C[*:1]
O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)C1CC1 O=C(N[*:1])C1CC1 O=S(=O)(Nc1ccccc1F)c1cccc(c1)[*:1]
O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)C1CC1 Fc1ccccc1[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N[*:1])C1CC1
O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)S(=O)(=O)Nc1ccccc1F)[*:1]
Cc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cn1 C1CCN(CC1)[*:1] Cc1ccc(cn1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1[*:1]
Cc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)cn1 Cc1ccc(cn1)[*:1] O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)[*:1]
C[NH2+][C@H](CC[C@@H]1CCCO1)c1c(F)cccc1F C1CO[C@@H](C1)C[*:1] C[NH2+][C@H](C[*:1])c1c(F)cccc1F
C[NH2+][C@H](CC[C@@H]1CCCO1)c1c(F)cccc1F C1CO[C@@H](C1)[*:1] C[NH2+][C@H](CC[*:1])c1c(F)cccc1F
COC(=O)c1ccc(CN2CCc3nc(NC(=O)c4ccco4)sc3C2)o1 COC(=O)[*:1] O=C(Nc1nc2CCN(Cc3ccc(o3)[*:1])Cc2s1)c1ccco1
COC(=O)c1ccc(CN2CCc3nc(NC(=O)c4ccco4)sc3C2)o1 COC(=O)c1ccc(o1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C[*:1])c1ccco1
COC(=O)c1ccc(CN2CCc3nc(NC(=O)c4ccco4)sc3C2)o1 O=C(N[*:1])c1ccco1 COC(=O)c1ccc(CN2CCc3nc(sc3C2)[*:1])o1
COC(=O)c1ccc(CN2CCc3nc(NC(=O)c4ccco4)sc3C2)o1 c1coc(c1)[*:1] COC(=O)c1ccc(CN2CCc3nc(NC(=O)[*:1])sc3C2)o1
CCNC(=O)[C@H]1CCN(C(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)C1 CCNC(=O)[*:1] O=C(c1cc(Cn2cnc3ccccc32)[nH]n1)N1CC[C@@H](C1)[*:1]
CCNC(=O)[C@H]1CCN(C(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)C1 c1ccc2c(c1)ncn2[*:1] CCNC(=O)[C@H]1CCN(C1)C(=O)c1cc(C[*:1])[nH]n1
Nc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)nnn1-c1ccc(NC(=O)c2ccccc2)cc1 O=C(N[*:1])c1ccccc1 Nc1c(nnn1-c1ccc(cc1)[*:1])C(=O)N1CCN(CC1)c1cccc[nH+]1
Nc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)nnn1-c1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Nc1c(nnn1-c1ccc(cc1)NC(=O)[*:1])C(=O)N1CCN(CC1)c1cccc[nH+]1
COC(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1F COC(=O)C[*:1] CN(C[*:1])S(=O)(=O)c1ccc(F)cc1F
COC(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1F COC(=O)CC[*:1] CN(S(=O)(=O)c1ccc(F)cc1F)[*:1]
COC(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1F COC(=O)[*:1] CN(CC[*:1])S(=O)(=O)c1ccc(F)cc1F
NC(=O)N1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 FC(F)(F)[*:1] NC(=O)N1CCCN(CC1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
Cc1nnc(NCCC[NH+](C)C2CCCCC2)c(C#N)c1C C1CCC(CC1)[*:1] Cc1nnc(NCCC[NH+](C)[*:1])c(C#N)c1C
CN(C)c1cccc(C(=O)NNC(=O)c2ccnc(OC(C)(C)C)c2)c1 CC(C)(C)O[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)c1ccnc(c1)[*:1]
CN(C)c1cccc(C(=O)NNC(=O)c2ccnc(OC(C)(C)C)c2)c1 CC(C)(C)[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)c1ccnc(c1)O[*:1]
CN(C)c1cccc(C(=O)NNC(=O)c2ccnc(OC(C)(C)C)c2)c1 CN(C)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NNC(=O)c1cccc(c1)[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)ccc1F CC(C)NS(=O)(=O)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1ccc(F)c(c1)[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)ccc1F CC(C)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1ccc(F)c(c1)S(=O)(=O)N[*:1]
Cc1[nH]c(=O)c(C(=O)N(Cc2cnn(C)c2)C(C)C)c(C)c1Cl CC(C)[*:1] Cc1[nH]c(=O)c(C(=O)N(Cc2cnn(C)c2)[*:1])c(C)c1Cl
Cc1[nH]c(=O)c(C(=O)N(Cc2cnn(C)c2)C(C)C)c(C)c1Cl Cn1cc(cn1)[*:1] Cc1[nH]c(=O)c(C(=O)N(C[*:1])C(C)C)c(C)c1Cl
Cc1[nH]c(=O)c(C(=O)N(Cc2cnn(C)c2)C(C)C)c(C)c1Cl Cn1cc(cn1)C[*:1] Cc1[nH]c(=O)c(C(=O)N(C(C)C)[*:1])c(C)c1Cl
C[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 O=[N+]([O-])[*:1] C[C@H]([NH2+][C@H](C)c1ccc(cc1)[*:1])c1ccc(F)c(F)c1
SCC1(CSc2ncnc3ccccc23)CC1 SCC1(CC1)[*:1] c1ccc2c(ncnc2c1)SC[*:1]
COc1ccc(-c2csc(NC(=O)C(F)(F)F)n2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)[*:1]
COc1ccc(-c2csc(NC(=O)C(F)(F)F)n2)cc1OC O=C(N[*:1])C(F)(F)F COc1ccc(cc1OC)-c1csc(n1)[*:1]
CCCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3C2(C)C)C1=O CCCCC[*:1] CC1(C)[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
CCCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3C2(C)C)C1=O CCCC[*:1] CC1(C)[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)C[*:1]
CCCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3C2(C)C)C1=O CCC[*:1] CC1(C)[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC[*:1])CC(=O)N21
Cc1nc(C)n(-c2ccc(C(=O)N(C)Cc3ccc(F)cc3F)cc2)n1 Fc1ccc(c(F)c1)[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)N(C)C[*:1]
Cc1nc(C)n(-c2ccc(C(=O)N(C)Cc3ccc(F)cc3F)cc2)n1 Cc1nc(C)n(n1)[*:1] CN(Cc1ccc(F)cc1F)C(=O)c1ccc(cc1)[*:1]
O=C(NC[C@@H]1CCCc2ccccc21)N[C@H](CCO)c1cccs1 c1csc(c1)[*:1] O=C(NC[C@@H]1CCCc2ccccc21)N[C@H](CCO)[*:1]
O=C(NC[C@@H]1CCCc2ccccc21)N[C@H](CCO)c1cccs1 OCC[*:1] O=C(NC[C@@H]1CCCc2ccccc21)N[C@H](c1cccs1)[*:1]
CCCCc1ccc(C(=O)N2CCn3nc(C(=O)N4CCOCC4)cc3C2)nc1 CCC[*:1] O=C(c1ccc(cn1)C[*:1])N1CCn2nc(cc2C1)C(=O)N1CCOCC1
CCCCc1ccc(C(=O)N2CCn3nc(C(=O)N4CCOCC4)cc3C2)nc1 O=C(N1CCOCC1)[*:1] CCCCc1ccc(nc1)C(=O)N1CCn2nc(cc2C1)[*:1]
CCCCc1ccc(C(=O)N2CCn3nc(C(=O)N4CCOCC4)cc3C2)nc1 CCCC[*:1] O=C(c1ccc(cn1)[*:1])N1CCn2nc(cc2C1)C(=O)N1CCOCC1
CCOC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCN(C(C)=O)C2 FC(F)(F)[*:1] CCOC(=O)c1c(NC(=O)c2cccc(c2)[*:1])sc2CN(CCc21)C(C)=O
CCOC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCN(C(C)=O)C2 CCOC(=O)[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)c1cccc(c1)C(F)(F)F)c2[*:1]
CCOC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCN(C(C)=O)C2 FC(F)(F)c1cccc(c1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)C(C)=O
C[C@@H]([NH2+]C[C@H](O)c1ccncc1)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] C[C@@H]([NH2+]C[C@H](O)c1ccncc1)[C@H]1CN(CCO1)[*:1]
C[C@@H]([NH2+]C[C@H](O)c1ccncc1)[C@H]1CN(Cc2ccccc2)CCO1 O[C@H](c1ccncc1)[*:1] C[C@@H]([NH2+]C[*:1])[C@H]1CN(CCO1)Cc1ccccc1
C[C@@H]([NH2+]C[C@H](O)c1ccncc1)[C@H]1CN(Cc2ccccc2)CCO1 c1cc(ccn1)[*:1] C[C@@H]([NH2+]C[C@H](O)[*:1])[C@H]1CN(CCO1)Cc1ccccc1
C[C@@H]([NH2+]C[C@H](O)c1ccncc1)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]C[C@H](O)c1ccncc1)[C@H]1CN(CCO1)C[*:1]
CCc1nn(C)c(N2CCN(CCOc3ccccc3Cl)CC2)c1[N+](=O)[O-] Clc1ccccc1[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N1CCN(CCO[*:1])CC1
CCc1nn(C)c(N2CCN(CCOc3ccccc3Cl)CC2)c1[N+](=O)[O-] Clc1ccccc1O[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N1CCN(CC1)CC[*:1]
CCc1nn(C)c(N2CCN(CCOc3ccccc3Cl)CC2)c1[N+](=O)[O-] Clc1ccccc1OC[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N1CCN(CC1)C[*:1]
CCc1nn(C)c(N2CCN(CCOc3ccccc3Cl)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(c1[*:1])N1CCN(CCOc2ccccc2Cl)CC1
O=[N+]([O-])c1ccc2nc(NC3CCC3)oc2c1 O=[N+]([O-])[*:1] c1cc2nc(NC3CCC3)oc2cc1[*:1]
O=[N+]([O-])c1ccc2nc(NC3CCC3)oc2c1 C1CC(C1)N[*:1] O=[N+]([O-])c1ccc2nc(oc2c1)[*:1]
O=[N+]([O-])c1ccc2nc(NC3CCC3)oc2c1 C1CC(C1)[*:1] O=[N+]([O-])c1ccc2nc(N[*:1])oc2c1
CC(C)c1ccc(C(=S)N2CCCCC2)cc1 CC(C)[*:1] S=C(c1ccc(cc1)[*:1])N1CCCCC1
CCn1c(SCC(=O)[O-])nc2c(C)ccnc21 O=C([O-])CS[*:1] CCn1c(nc2c(C)ccnc21)[*:1]
CCn1c(SCC(=O)[O-])nc2c(C)ccnc21 O=C([O-])[*:1] CCn1c(nc2c(C)ccnc21)SC[*:1]
CCn1c(SCC(=O)[O-])nc2c(C)ccnc21 O=C([O-])C[*:1] CCn1c(nc2c(C)ccnc21)S[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccccc2OC)s1 CCc1nnc(s1)[*:1] COc1ccccc1[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccccc2OC)s1 COc1ccccc1[*:1] CCc1nnc(s1)N1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1[*:1]
O=[N+]([O-])c1ccc(Nc2cnn(-c3ncccn3)c2)c(Cl)c1 O=[N+]([O-])[*:1] Clc1cc(ccc1Nc1cnn(c1)-c1ncccn1)[*:1]
O=[N+]([O-])c1ccc(Nc2cnn(-c3ncccn3)c2)c(Cl)c1 c1cnc(nc1)[*:1] O=[N+]([O-])c1ccc(Nc2cnn(c2)[*:1])c(Cl)c1
Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] Cc1nc(ncc1S(=O)(=O)N1CCN(CC1)C(=O)[*:1])-c1ccncc1
Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 c1cc(ccn1)[*:1] Cc1nc(ncc1S(=O)(=O)N1CCN(CC1)C(=O)C1CC1)[*:1]
COC(=O)[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1 c1ccc(cc1)C[*:1] COC(=O)[C@H](NCc1ccc(Cl)cc1)[*:1]
COC(=O)[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1 c1ccc(cc1)[*:1] COC(=O)[C@H](C[*:1])NCc1ccc(Cl)cc1
COC(=O)[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1 COC(=O)[*:1] Clc1ccc(cc1)CN[C@@H](Cc1ccccc1)[*:1]
COC(=O)[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)[C@H](Cc1ccccc1)NC[*:1]
COc1ccccc1CN1CCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H]2C1 COc1ccccc1[*:1] CC(C)C[C@@H]1NC(=O)[C@H]2CN(CCN2C1=O)C[*:1]
COc1ccccc1CN1CCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H]2C1 CC(C)C[*:1] COc1ccccc1CN1CCN2C(=O)[C@H](NC(=O)[C@H]2C1)[*:1]
COc1ccccc1CN1CCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H]2C1 CC(C)[*:1] COc1ccccc1CN1CCN2C(=O)[C@H](C[*:1])NC(=O)[C@H]2C1
Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[*:1]
Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)N1CCC[C@@H]1[C@@H](C#N)[*:1]
Cc1nc(CSCC(=O)N2CCCC[C@@H]2C(=O)[O-])cs1 Cc1nc(cs1)[*:1] O=C([O-])[C@H]1CCCCN1C(=O)CSC[*:1]
Cc1nc(CSCC(=O)N2CCCC[C@@H]2C(=O)[O-])cs1 O=C([O-])[*:1] Cc1nc(cs1)CSCC(=O)N1CCCC[C@H]1[*:1]
CCOc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] CCOc1ccc(cc1)NC(=O)c1nccnc1[*:1]
CCOc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 CCOc1ccc(cc1)[*:1] O=C(N[*:1])c1nccnc1-c1nc2ccccc2s1
CCOc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1nccnc1-c1nc2ccccc2s1
CC[C@H](c1ccncc1)N(C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 COc1ccc(cc1)[*:1] CC[C@H](c1ccncc1)N(C)C(=O)c1cc(C)n(n1)[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 c1cc(ccn1)[*:1] CC[C@H](N(C)C(=O)c1cc(C)n(n1)-c1ccc(cc1)OC)[*:1]
CCc1c(C)nc([C@@H]2CCCN2C(=O)c2cccnc2C)[nH]c1=O Cc1ncccc1[*:1] CCc1c(C)nc([nH]c1=O)[C@@H]1CCCN1C(=O)[*:1]
CCCCNC(=O)c1ccnc(OC(C)(C)C)c1 CCCC[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N[*:1]
CCCCNC(=O)c1ccnc(OC(C)(C)C)c1 CCC[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NC[*:1]
CCCCNC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CCCCNC(=O)c1ccnc(c1)O[*:1]
CCCCNC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CCCCNC(=O)c1ccnc(c1)[*:1]
COc1cc(CNn2cnnc2)cc(Cl)c1OCc1cccnc1 c1nncn1NC[*:1] COc1cc(cc(Cl)c1OCc1cccnc1)[*:1]
COc1cc(CNn2cnnc2)cc(Cl)c1OCc1cccnc1 c1cncc(c1)CO[*:1] COc1cc(cc(Cl)c1[*:1])CNn1cnnc1
COc1cc(CNn2cnnc2)cc(Cl)c1OCc1cccnc1 c1cncc(c1)C[*:1] COc1cc(cc(Cl)c1O[*:1])CNn1cnnc1
COc1cc(CNn2cnnc2)cc(Cl)c1OCc1cccnc1 c1cncc(c1)[*:1] COc1cc(cc(Cl)c1OC[*:1])CNn1cnnc1
COc1cc(CNn2cnnc2)cc(Cl)c1OCc1cccnc1 c1nncn1N[*:1] COc1cc(cc(Cl)c1OCc1cccnc1)C[*:1]
COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)CCC2 C[C@H]1CCCC[C@@H]1[*:1] COc1ccc2CCC[C@@H]([NH2+]C[*:1])c2c1
CC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)[C@H](C)[C@@H]1C c1ccc(cc1)[*:1] CC[NH2+][C@@H]1CCN([C@@H](C)[*:1])[C@H](C)[C@@H]1C
[NH3+]CCCN(c1cc[nH+]cc1Cl)C1CCCCC1 C1CCC(CC1)[*:1] [NH3+]CCCN(c1cc[nH+]cc1Cl)[*:1]
[NH3+]CCCN(c1cc[nH+]cc1Cl)C1CCCCC1 [NH3+]CC[*:1] Clc1c[nH+]ccc1N(C[*:1])C1CCCCC1
[NH3+]CCCN(c1cc[nH+]cc1Cl)C1CCCCC1 [NH3+]CCC[*:1] Clc1c[nH+]ccc1N(C1CCCCC1)[*:1]
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccccc1 O=S(=O)(N1CCCCC1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)[*:1])NCc1ccccc1
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)COc2ccc(cc21)S(=O)(=O)N1CCCCC1)N[*:1]
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)S(=O)(=O)N1CCCCC1)NC[*:1]
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] O=C1COc2ccc(cc2N1C[*:1])S(=O)(=O)N1CCCCC1
C#CCNC(=O)[C@@H]1CCO[C@H]1C C#CC[*:1] C[C@@H]1OCC[C@H]1C(=O)N[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(c1)NC(=O)[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(c1)[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(=O)c2ccco2)c1 COC(=O)[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])c1cccc(c1)NC(=O)c1ccco1
COCCn1cc(NC(=O)NCc2cc(Br)ccc2OC)cn1 COCC[*:1] COc1ccc(Br)cc1CNC(=O)Nc1cnn(c1)[*:1]
COCCn1cc(NC(=O)NCc2cc(Br)ccc2OC)cn1 COC[*:1] COc1ccc(Br)cc1CNC(=O)Nc1cnn(c1)C[*:1]
N#Cc1cnc2cc(C(=O)[O-])[nH]c2c1 O=C([O-])[*:1] N#Cc1cnc2cc([nH]c2c1)[*:1]
Cc1nn(C(=O)c2ccccc2)c(C)c1CCC(C)C CC(C)[*:1] Cc1nn(C(=O)c2ccccc2)c(C)c1CC[*:1]
Cc1nn(C(=O)c2ccccc2)c(C)c1CCC(C)C CC(C)CC[*:1] Cc1nn(C(=O)c2ccccc2)c(C)c1[*:1]
Cc1nn(C(=O)c2ccccc2)c(C)c1CCC(C)C CC(C)C[*:1] Cc1nn(C(=O)c2ccccc2)c(C)c1C[*:1]
Cc1nn(C(=O)c2ccccc2)c(C)c1CCC(C)C c1ccc(cc1)[*:1] Cc1nn(C(=O)[*:1])c(C)c1CCC(C)C
C[C@@H]([NH3+])C(C)(C)CN1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] C[C@@H]([NH3+])C(C)(C)CN1CC[NH+](CC1)[*:1]
C[C@@H]([NH3+])C(C)(C)CN1CC[NH+](CC2CC2)CC1 C1CC1[*:1] C[C@@H]([NH3+])C(C)(C)CN1CC[NH+](CC1)C[*:1]
C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1 c1cnn(c1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1
C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)-n1cccn1)[*:1]
Cc1noc([C@@H]2CCCN(C(=O)c3cc(F)c(F)cc3Cl)C2)n1 Cc1noc(n1)[*:1] O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@H](C1)[*:1]
O=C(/C=C/c1c(Cl)cccc1Cl)NC1CC1 C1CC1[*:1] O=C(/C=C/c1c(Cl)cccc1Cl)N[*:1]
Cc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NC[*:1])c1ccc(F)c(F)c1F
O=C(CSCc1c(Cl)cccc1Cl)NC1CCCC1 C1CCC(C1)[*:1] O=C(CSCc1c(Cl)cccc1Cl)N[*:1]
CC(C)(C)c1ccc(NC(=O)c2ccc(N3C(=O)CSCC3=O)cc2)cc1 O=C1CSCC(=O)N1[*:1] CC(C)(C)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(NC(=O)c2ccc(N3C(=O)CSCC3=O)cc2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)N1C(=O)CSCC1=O
CN1CCO[C@H](COc2ccc(CC(N)=S)cc2)C1 NC(=S)C[*:1] CN1CCO[C@H](COc2ccc(cc2)[*:1])C1
CN1CCO[C@H](COc2ccc(CC(N)=S)cc2)C1 NC(=S)[*:1] CN1CCO[C@H](COc2ccc(cc2)C[*:1])C1
C[C@H](NS(=O)(=O)C[C@@H](C)CCl)c1ccc2[nH]c(=O)[nH]c2c1 C[C@@H](CCl)[*:1] C[C@H](NS(=O)(=O)C[*:1])c1ccc2[nH]c(=O)[nH]c2c1
C[C@@H](C1=NC(=O)C2=C(c3ccccc3)CSC2=N1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 c1ccc(cc1)[*:1] C[C@@H](C1N=C2SCC(=C2C(=O)N=1)[*:1])N1CCN(CC1)[C@H]1CCS(=O)(=O)C1
C[C@@H](C1=NC(=O)C2=C(c3ccccc3)CSC2=N1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@@H](C1N=C2SCC(=C2C(=O)N=1)c1ccccc1)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccn4c3)CC2)o1 Cc1ccc(o1)[*:1] O=C(c1cc2ccccn2c1)N1CCN(CC1)C(=O)[*:1]
CN(CC(=O)N1CCC(Cc2ccccc2)CC1)c1nc2c(F)cccc2s1 c1ccc(cc1)C[*:1] CN(CC(=O)N1CCC(CC1)[*:1])c1nc2c(F)cccc2s1
CN(CC(=O)N1CCC(Cc2ccccc2)CC1)c1nc2c(F)cccc2s1 c1ccc(cc1)[*:1] CN(CC(=O)N1CCC(CC1)C[*:1])c1nc2c(F)cccc2s1
CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CN1C(=S)N(C(=O)/C1=C/c1ccc(cc1)O[*:1])C1CCCCC1
CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 C1CCC(CC1)[*:1] CN1C(=S)N(C(=O)/C1=C/c1ccc(cc1)OCc1ccc(F)cc1)[*:1]
CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 Fc1ccc(cc1)CO[*:1] CN1C(=S)N(C(=O)/C1=C/c1ccc(cc1)[*:1])C1CCCCC1
CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CN1C(=S)N(C(=O)/C1=C/c1ccc(cc1)OC[*:1])C1CCCCC1
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCc1nc2ccccc2s1 Cc1cc(Br)ccc1[*:1] CN(CC(=O)N[*:1])C(=O)CCc1nc2ccccc2s1
CC(C)[C@H](CNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)NC[C@H](c1ccccc1)[*:1]
CC(C)[C@H](CNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](CNC(=O)N1CCCC[C@@H](C1)N1CC[NH+](C)CC1)[*:1]
CC(C)N1C(N)=[NH+]C[C@@H]1c1cccc2ccccc12 CC(C)[*:1] NC1=[NH+]C[C@H](c2cccc3ccccc23)N1[*:1]
COc1ccccc1CC(=O)N(C)C(C)C CC(C)[*:1] COc1ccccc1CC(=O)N(C)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1F CCC[*:1] O=C(Nc1ccc(F)cc1F)[C@H]1CCCN1C(=O)[*:1]
CC[C@@H](O)[C@@H](C)c1ncc(Cl)cc1F CC[C@@H](O)[*:1] C[C@@H](c1ncc(Cl)cc1F)[*:1]
CC(C)[NH2+]Cc1coc2ccccc12 CC(C)[*:1] c1ccc2c(coc2c1)C[NH2+][*:1]
NC(=O)[C@]1([NH3+])CCC[C@H]1CCSc1ccc(Br)cc1 NC(=O)[*:1] [NH3+][C@@]1(CCC[C@H]1CCSc1ccc(Br)cc1)[*:1]
CCc1ccsc1CNC(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)[O-] CCc1ccsc1[*:1] O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)NC[*:1]
CCc1ccsc1CNC(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)[O-] O=C([O-])[*:1] CCc1ccsc1CNC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2[*:1]
CCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)Nc1ccc(Br)cc1
CCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2)cc1OC Brc1ccc(cc1)[*:1] CCOc1c(Cl)cc(cc1OC)C(=O)N[*:1]
C[C@H]1Cc2ccccc2N1CCNC(=O)Cn1ccc(=O)[nH]c1=O O=c1ccn(c(=O)[nH]1)[*:1] C[C@H]1Cc2ccccc2N1CCNC(=O)C[*:1]
CC[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(OC)c(OC)c1)S2 CC[C@@H](C)NC(=O)[*:1] COc1ccc(/C=C2/Sc3ccc(cc3NC2=O)[*:1])cc1OC
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(CCCS(C)(=O)=O)C1=O CS(=O)(=O)C[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1ccc(F)cc1F
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(CCCS(C)(=O)=O)C1=O CS(=O)(=O)[*:1] C[C@]1(NC(=O)N(CCC[*:1])C1=O)c1ccc(F)cc1F
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(CCCS(C)(=O)=O)C1=O CS(=O)(=O)CC[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1F
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(CCCS(C)(=O)=O)C1=O CS(=O)(=O)CCC[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(F)cc1F
CCN(C)C(=O)c1cccc(OC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1 FC(F)(F)[*:1] CCN(C)C(=O)c1cccc(c1)OC(=O)[C@H]1CCCC[C@H]1[*:1]
CCN(C)C(=O)c1cccc(OC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1 CCN(C)C(=O)[*:1] O=C(Oc1cccc(c1)[*:1])[C@H]1CCCC[C@@H]1C(F)(F)F
CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(OC)cc1 c1ccc(cc1)C[*:1] CCN(C(=O)/C=C/c1ccc(cc1)OC)[*:1]
CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(OC)cc1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)/C=C/c1ccc(cc1)OC
CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1[*:1]
CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 CCO[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)CNC(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 CCOc1ccccc1[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)CNC(=O)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1Cl c1coc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)C(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1Cl Cc1ccc(cc1Cl)[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)N[*:1])c1ccco1
Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC(=O)Cc1nc(cs1)C[NH+]1CCN(CC1)c1ccc(cn1)[*:1]
Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)cc1 FC(F)(F)c1ccc(nc1)[*:1] Cc1ccc(cc1)NC(=O)Cc1nc(cs1)C[NH+]1CCN(CC1)[*:1]
Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)cc1 Cc1ccc(cc1)NC(=O)[*:1] FC(F)(F)c1ccc(nc1)N1CC[NH+](CC1)Cc1csc(C[*:1])n1
Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)cc1 Cc1ccc(cc1)NC(=O)C[*:1] FC(F)(F)c1ccc(nc1)N1CC[NH+](CC1)Cc1csc(n1)[*:1]
Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1nc(cs1)C[NH+]1CCN(CC1)c1ccc(cn1)C(F)(F)F)N[*:1]
COCc1ccc(C/[NH+]=C/c2ccccc2O)cc1 COC[*:1] Oc1ccccc1/C=[NH+]/Cc1ccc(cc1)[*:1]
CN(C(=O)CSc1ccc(N)cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CSc1ccc(N)cc1Cl)[*:1]
O=C1N[C@@H](C(=O)NCc2nccn2Cc2ccccc2)CS1 c1ccc(cc1)C[*:1] O=C1N[C@H](CS1)C(=O)NCc1nccn1[*:1]
O=C1N[C@@H](C(=O)NCc2nccn2Cc2ccccc2)CS1 c1ccc(cc1)[*:1] O=C1N[C@H](CS1)C(=O)NCc1nccn1C[*:1]
CCc1noc([C@@H]2CCCN2C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)n1 CCc1noc(n1)[*:1] Cc1cccc(c1)N1CC[NH+](CCC(=O)N2CCC[C@H]2[*:1])CC1
CCc1noc([C@@H]2CCCN2C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)n1 Cc1cccc(c1)[*:1] CCc1noc(n1)[C@@H]1CCCN1C(=O)CC[NH+]1CCN(CC1)[*:1]
C[C@H](c1cccc(O)c1)N(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 C1CCN(C1)[*:1] C[C@H](c1cccc(O)c1)N(C)C(=O)NCc1ccc([nH+]c1)[*:1]
C[C@H](c1cccc(O)c1)N(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 Oc1cccc(c1)[*:1] C[C@H](N(C)C(=O)NCc1ccc([nH+]c1)N1CCCC1)[*:1]
CCOCCCNC(=O)Nc1cc(C#N)ccc1Cl CCO[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NCCC[*:1]
CCOCCCNC(=O)Nc1cc(C#N)ccc1Cl CCOC[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NCC[*:1]
CCOCCCNC(=O)Nc1cc(C#N)ccc1Cl CCOCCC[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)N[*:1]
CCOCCCNC(=O)Nc1cc(C#N)ccc1Cl CCOCC[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NC[*:1]
CC(C)CCO[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F CC(C)CCO[*:1] C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1F)[*:1]
CC(C)CCO[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F CC(C)C[*:1] C[C@H](OC[*:1])C(=O)NNC(=O)c1ccc(Cl)cc1F
CC(C)CCO[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F CC(C)[*:1] C[C@H](OCC[*:1])C(=O)NNC(=O)c1ccc(Cl)cc1F
CC(C)CCO[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1F CC(C)CC[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1ccc(Cl)cc1F
CCN(Cc1ccccn1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C c1ccc(nc1)[*:1] CCN(C[*:1])S(=O)(=O)c1cnc2c(c1)c(C)nn2C
CCN(Cc1ccccn1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C c1ccc(C[*:1])nc1 CCN(S(=O)(=O)c1cnc2c(c1)c(C)nn2C)[*:1]
CC[C@H]1CCCCN1C(=O)N[C@H](c1ccc(OC)cc1)C1CCOCC1 COc1ccc(cc1)[*:1] CC[C@H]1CCCCN1C(=O)N[C@H](C1CCOCC1)[*:1]
CC[C@H]1CCCCN1C(=O)N[C@H](c1ccc(OC)cc1)C1CCOCC1 C1CC(CCO1)[*:1] CC[C@H]1CCCCN1C(=O)N[C@H](c1ccc(cc1)OC)[*:1]
CC(C)c1noc(CN2CC[C@]3(CCCO3)CCC2=O)n1 CC(C)[*:1] O=C1CC[C@@]2(CCCO2)CCN1Cc1nc(no1)[*:1]
C[C@@H](Cc1ccsc1)NC(=O)NCc1ccccc1-n1cccn1 c1cc(cs1)[*:1] C[C@@H](C[*:1])NC(=O)NCc1ccccc1-n1cccn1
C[C@@H](Cc1ccsc1)NC(=O)NCc1ccccc1-n1cccn1 c1cc(cs1)C[*:1] C[C@@H](NC(=O)NCc1ccccc1-n1cccn1)[*:1]
C[C@@H](Cc1ccsc1)NC(=O)NCc1ccccc1-n1cccn1 c1cnn(c1)[*:1] C[C@@H](Cc1ccsc1)NC(=O)NCc1ccccc1[*:1]
[NH3+]CCCO[C@H]1CCO[C@@]2(CCOC2)C1 [NH3+]CC[*:1] C1C[C@@]2(CO1)C[C@H](CCO2)OC[*:1]
[NH3+]CCCO[C@H]1CCO[C@@]2(CCOC2)C1 [NH3+]CCC[*:1] C1C[C@@]2(CO1)C[C@H](CCO2)O[*:1]
[NH3+]CCCO[C@H]1CCO[C@@]2(CCOC2)C1 [NH3+]CCCO[*:1] C1C[C@@]2(CO1)C[C@H](CCO2)[*:1]
COC(=O)[C@@H](C)CN(C)C(=O)c1sc(C(C)(C)c2ccccc2)nc1C c1ccc(cc1)[*:1] COC(=O)[C@@H](C)CN(C)C(=O)c1sc(nc1C)C(C)(C)[*:1]
COC(=O)[C@@H](C)CN(C)C(=O)c1sc(C(C)(C)c2ccccc2)nc1C COC(=O)[*:1] Cc1nc(sc1C(=O)N(C)C[C@H](C)[*:1])C(C)(C)c1ccccc1
COC(=O)[C@@H](C)CN(C)C(=O)c1sc(C(C)(C)c2ccccc2)nc1C COC(=O)[C@@H](C)[*:1] Cc1nc(sc1C(=O)N(C)C[*:1])C(C)(C)c1ccccc1
Cc1ccccc1-n1c(C)nnc1S[C@H](C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1ccccc1-n1c(C)nnc1S[C@H](C)C(=O)N[*:1]
Cc1ccccc1-n1c(C)nnc1S[C@H](C)C(=O)NC1CCCCC1 Cc1ccccc1[*:1] Cc1nnc(S[C@H](C)C(=O)NC2CCCCC2)n1[*:1]
COc1cccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c1 C1CC1[*:1] COc1cccc(c1)CNC(=O)c1cc(ccc1Br)S(=O)(=O)N[*:1]
COc1cccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])c1cc(ccc1Br)S(=O)(=O)NC1CC1
COc1cccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c1 O=S(=O)(NC1CC1)[*:1] COc1cccc(c1)CNC(=O)c1cc(ccc1Br)[*:1]
O=C(C1CCC1)N1CCC(Oc2nc3ccc(F)cc3s2)CC1 C1CC(C1)[*:1] O=C(N1CCC(CC1)Oc1nc2ccc(F)cc2s1)[*:1]
COc1cccc(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)n1 COc1cccc(n1)[*:1] C[C@H](NC(=O)[*:1])c1nc(no1)-c1cccc(F)c1
COc1cccc(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)n1 Fc1cccc(c1)[*:1] COc1cccc(n1)C(=O)N[C@@H](C)c1nc(no1)[*:1]
COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(OC(C)C)cc1 CC(C)[*:1] COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(cc1)O[*:1]
COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(OC(C)C)cc1 COC(=O)[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1c(sc2ccccc12)[*:1]
COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(OC(C)C)cc1 CC(C)O[*:1] COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(cc1)[*:1]
COCCNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 COCC[*:1] O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)C(=O)N[*:1]
COCCNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 c1csc(c1)[*:1] COCCNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[*:1]
COCCNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 COC[*:1] O=C(NC[*:1])C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
CCC[NH2+]Cc1ccnc(N2C[C@@H](C)[C@H](C)C2)c1 CCC[*:1] C[C@@H]1CN(C[C@H]1C)c1cc(ccn1)C[NH2+][*:1]
C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(Cc1ccccc1F)C1CC1)C2=O Fc1ccccc1[*:1] C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(C[*:1])C1CC1)C2=O
C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(Cc1ccccc1F)C1CC1)C2=O C1CC1[*:1] C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(Cc1ccccc1F)[*:1])C2=O
C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(Cc1ccccc1F)C1CC1)C2=O Fc1ccccc1C[*:1] C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN(C1CC1)[*:1])C2=O
Cn1cc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c(n1)[*:1]
O=C(Nc1cc(Cl)ccc1Cl)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 Clc1ccc(Cl)c(c1)[*:1] O=C(N[*:1])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1
O=C(Nc1cc(Cl)ccc1Cl)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1cc(Cl)ccc1Cl)[C@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
Cc1c(-c2cccs2)n[nH]c1NC(=O)CCCc1nc2cc(F)ccc2[nH]1 c1csc(c1)[*:1] Cc1c(n[nH]c1NC(=O)CCCc1nc2cc(F)ccc2[nH]1)[*:1]
CC(C)n1cc([C@H](C)[NH2+][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cn1 CC(C)[*:1] C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc2OCCCc2c1)c1cnn(c1)[*:1]
CC(C)n1cc([C@H](C)[NH2+][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cn1 c1ccc(cc1)[*:1] CC(C)n1cc(cn1)[C@H](C)[NH2+][C@@H](c1ccc2OCCCc2c1)[*:1]
Cc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)C(=O)NC1CC[NH+](CC1)CC(=O)N[*:1]
Cc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)[*:1])Nc1ccccc1Cl
CCOCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cccc(C)c21 O=C1CCC(=O)N1C[*:1] CCOCCn1/c(=N/C(=O)[*:1])sc2cccc(C)c21
CCOCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cccc(C)c21 CCOC[*:1] Cc1cccc2s/c(=N\C(=O)CN3C(=O)CCC3=O)n(C[*:1])c12
CCOCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cccc(C)c21 CCOCC[*:1] Cc1cccc2s/c(=N\C(=O)CN3C(=O)CCC3=O)n(c12)[*:1]
CCOCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cccc(C)c21 CCO[*:1] Cc1cccc2s/c(=N\C(=O)CN3C(=O)CCC3=O)n(CC[*:1])c12
CCOCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cccc(C)c21 O=C1CCC(=O)N1[*:1] CCOCCn1/c(=N/C(=O)C[*:1])sc2cccc(C)c21
CC(C)CN1C(=O)c2ccc(N3C(=O)c4cccnc4C3=O)cc2C1=O CC(C)[*:1] O=C1c2ccc(cc2C(=O)N1C[*:1])N1C(=O)c2cccnc2C1=O
CC(C)CN1C(=O)c2ccc(N3C(=O)c4cccnc4C3=O)cc2C1=O CC(C)C[*:1] O=C1c2cccnc2C(=O)N1c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COc1ccc(C(C)=O)cc1CC(=O)N1CCCC[C@@H]1C CC(=O)[*:1] COc1ccc(cc1CC(=O)N1CCCC[C@@H]1C)[*:1]
CC(C)(C)OC(=O)NN1CCCC1 CC(C)(C)[*:1] O=C(NN1CCCC1)O[*:1]
O=C(O[C@H]1CCCCC1=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(O[C@H]1CCCCC1=O)c1cnn(c1)[*:1]
CCc1noc(-c2ccc(CCNC(=O)[C@H](C)c3cccs3)cc2)n1 c1csc(c1)[*:1] CCc1noc(n1)-c1ccc(cc1)CCNC(=O)[C@H](C)[*:1]
CCc1noc(-c2ccc(CCNC(=O)[C@H](C)c3cccs3)cc2)n1 CCc1noc(n1)[*:1] C[C@@H](C(=O)NCCc1ccc(cc1)[*:1])c1cccs1
O=C(NCCc1cscn1)c1cncn1-c1ccc(F)cc1 c1nc(cs1)CC[*:1] O=C(N[*:1])c1cncn1-c1ccc(F)cc1
O=C(NCCc1cscn1)c1cncn1-c1ccc(F)cc1 c1nc(cs1)[*:1] O=C(NCC[*:1])c1cncn1-c1ccc(F)cc1
O=C(NCCc1cscn1)c1cncn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCc1cscn1)c1cncn1[*:1]
O=C(NCCc1cscn1)c1cncn1-c1ccc(F)cc1 c1nc(cs1)C[*:1] O=C(NC[*:1])c1cncn1-c1ccc(F)cc1
O=C(NCCCN1CCCCCC1=O)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(NCCCN1CCCCCC1=O)C1CCN(CC1)C(=O)[*:1]
O=C(NCCCN1CCCCCC1=O)C1CCN(C(=O)C2CC2)CC1 O=C1CCCCCN1[*:1] O=C(NCCC[*:1])C1CCN(CC1)C(=O)C1CC1
CCOC(=O)C1=NN(c2ccc(F)cc2)[C@]2(N3CCOCC3)CCC[C@@H]12 Fc1ccc(cc1)[*:1] CCOC(=O)C1=NN([C@@]2(CCC[C@@H]12)N1CCOCC1)[*:1]
CCOC(=O)C1=NN(c2ccc(F)cc2)[C@]2(N3CCOCC3)CCC[C@@H]12 C1CN(CCO1)[*:1] CCOC(=O)C1=NN(c2ccc(F)cc2)[C@@]2(CCC[C@@H]12)[*:1]
CNC(=O)C1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 CNC(=O)[*:1] CC(C)c1ccc(cc1)NC(=O)N1CCC(CC1)[*:1]
CNC(=O)C1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 CC(C)[*:1] CNC(=O)C1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
O=C(CCCn1cncn1)NCC(=O)Nc1cccc(F)c1 c1ncn(CC[*:1])n1 O=C(C[*:1])NCC(=O)Nc1cccc(F)c1
O=C(CCCn1cncn1)NCC(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCCn1cncn1)NCC(=O)N[*:1]
O=C(CCCn1cncn1)NCC(=O)Nc1cccc(F)c1 c1ncn(C[*:1])n1 O=C(CC[*:1])NCC(=O)Nc1cccc(F)c1
O=C(CCCn1cncn1)NCC(=O)Nc1cccc(F)c1 c1ncn(n1)[*:1] O=C(CCC[*:1])NCC(=O)Nc1cccc(F)c1
Cc1nc(CNc2ccc(C(=O)NC(C)C)cc2C)no1 Cc1nc(C[*:1])no1 Cc1cc(ccc1N[*:1])C(=O)NC(C)C
Cc1nc(CNc2ccc(C(=O)NC(C)C)cc2C)no1 Cc1nc(no1)[*:1] Cc1cc(ccc1NC[*:1])C(=O)NC(C)C
Cc1nc(CNc2ccc(C(=O)NC(C)C)cc2C)no1 CC(C)[*:1] Cc1nc(CNc2ccc(cc2C)C(=O)N[*:1])no1
Cc1nc(CNc2ccc(C(=O)NC(C)C)cc2C)no1 CC(C)NC(=O)[*:1] Cc1nc(CNc2ccc(cc2C)[*:1])no1
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(N)=O)c1C NC(=O)[*:1] CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1C)[*:1]
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(N)=O)c1C CC[C@H](C)[*:1] Cc1c(cccc1C(N)=O)NC(=O)[C@H](NC(=O)c1ccccc1)[*:1]
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(N)=O)c1C c1ccc(cc1)[*:1] CC[C@H](C)[C@@H](NC(=O)[*:1])C(=O)Nc1cccc(C(N)=O)c1C
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(N)=O)c1C O=C(N[*:1])c1ccccc1 CC[C@H](C)[C@@H](C(=O)Nc1cccc(C(N)=O)c1C)[*:1]
COCC1CC[NH+](C/C=C/c2ccc(C#N)cc2)CC1 COC[*:1] N#Cc1ccc(/C=C/C[NH+]2CCC(CC2)[*:1])cc1
CNC(=O)c1ccc(CNC(=O)Nc2ccccc2N2CCCC2=O)cc1 CNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])Nc1ccccc1N1CCCC1=O
CNC(=O)c1ccc(CNC(=O)Nc2ccccc2N2CCCC2=O)cc1 O=C1CCCN1[*:1] CNC(=O)c1ccc(cc1)CNC(=O)Nc1ccccc1[*:1]
Cc1cc(C)cc(/C=C/CC[NH2+]C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cc(C)cc(/C=C/CC[NH2+][*:1])c1
CCCc1nc(C(=O)NCc2csc(-c3cnccn3)n2)cs1 c1cnc(cn1)[*:1] CCCc1nc(cs1)C(=O)NCc1csc(n1)[*:1]
CCCc1nc(C(=O)NCc2csc(-c3cnccn3)n2)cs1 CCC[*:1] O=C(NCc1csc(n1)-c1cnccn1)c1csc(n1)[*:1]
Cc1c(-c2nsc(NC(=O)c3cccs3)n2)nnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(nnn1[*:1])-c1nsc(n1)NC(=O)c1cccs1
Cc1c(-c2nsc(NC(=O)c3cccs3)n2)nnn1-c1ccccc1 c1csc(c1)[*:1] Cc1c(nnn1-c1ccccc1)-c1nsc(n1)NC(=O)[*:1]
Cc1c(-c2nsc(NC(=O)c3cccs3)n2)nnn1-c1ccccc1 O=C(N[*:1])c1cccs1 Cc1c(nnn1-c1ccccc1)-c1nsc(n1)[*:1]
CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 CCC(CC)[*:1] N#Cc1cccc(c1)NC(=O)c1cccc(c1)NC(=O)[*:1]
CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] CCC(CC)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 CCC(CC)C(=O)N[*:1] N#Cc1cccc(c1)NC(=O)c1cccc(c1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)c1nc(-c2ccccc2)n(n1)-c1ccccc1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccco1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1nc(n(n1)-c1ccccc1)[*:1])c1ccco1
C[NH+](C)[C@H](CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccco1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1nc(-c2ccccc2)n(n1)[*:1])c1ccco1
N#Cc1cccc(NC(=O)CC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] N#Cc1cccc(c1)NC(=O)C[*:1]
N#Cc1cccc(NC(=O)CC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] N#Cc1cccc(c1)NC(=O)CC[*:1]
CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1F NS(=O)(=O)[*:1] CS(=O)(=O)c1cc(ccc1F)[*:1]
CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1F CS(=O)(=O)[*:1] NS(=O)(=O)c1ccc(F)c(c1)[*:1]
c1ccc(Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)c(Cn2cccn2)c1 c1cnn(c1)C[*:1] c1ccc(c(c1)Cn1ccnc1-c1cc2C[NH2+]CCn2n1)[*:1]
c1ccc(Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)c(Cn2cccn2)c1 c1cnn(c1)[*:1] c1ccc(C[*:1])c(c1)Cn1ccnc1-c1cc2C[NH2+]CCn2n1
C/[NH+]=C(/NCc1cc(C(C)C)no1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] C/[NH+]=C(/NCc1cc(no1)C(C)C)N1CCN(CC1)C(=O)[*:1]
C/[NH+]=C(/NCc1cc(C(C)C)no1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 CC(C)[*:1] C/[NH+]=C(/NCc1cc(no1)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
C/[NH+]=C(/NCc1cc(C(C)C)no1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 CC(C)c1cc(on1)[*:1] C/[NH+]=C(/NC[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
Cc1cc(Cl)ccc1OC(=O)CCCNC(=O)c1ccsc1 c1cc(cs1)[*:1] Cc1cc(Cl)ccc1OC(=O)CCCNC(=O)[*:1]
Cc1ccc(C)c(N2CCN(C(=O)C[C@H](C)n3nc(C)cc3C)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cc(C)n(n1)[C@@H](C)CC(=O)N1CCN(CC1)[*:1]
Cc1ccc(C)c(N2CCN(C(=O)C[C@H](C)n3nc(C)cc3C)CC2)c1 Cc1cc(C)n(n1)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)C[C@H](C)[*:1]
Cc1ccc([C@@H](CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])N2CCOCC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@@H](CNc1nc2ccccn2c(=O)c1[*:1])N1CCOCC1
Cc1ccc([C@@H](CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=c1c(c(nc2ccccn12)NC[C@@H](N1CCOCC1)[*:1])[N+](=O)[O-]
Cc1ccc([C@@H](CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])[*:1]
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)[*:1]
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 Cc1cccc(c1)O[*:1] CC[C@@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)[*:1]
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)C[*:1]
CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)Cc1ccc(Cl)cc1 Cc1cccc(c1)[*:1] CC[C@@H](O[*:1])C(=O)NNC(=O)Cc1ccc(Cl)cc1
Cc1ncc([N+](=O)[O-])n1CCOC(=O)/C=C/c1cc2ccccc2o1 O=[N+]([O-])[*:1] Cc1ncc(n1CCOC(=O)/C=C/c1cc2ccccc2o1)[*:1]
CC1(C)CC[C@H](OCCOc2ccccc2)[C@H]1[NH3+] c1ccc(cc1)[*:1] CC1(C)CC[C@H](OCCO[*:1])[C@H]1[NH3+]
C[C@H](C[C@H](O)c1ccco1)NC(=O)NCc1cc[nH+]c(N(C)C)c1 O[C@@H](C[*:1])c1ccco1 C[C@H](NC(=O)NCc1cc[nH+]c(c1)N(C)C)[*:1]
C[C@H](C[C@H](O)c1ccco1)NC(=O)NCc1cc[nH+]c(N(C)C)c1 c1coc(c1)[*:1] C[C@H](C[C@H](O)[*:1])NC(=O)NCc1cc[nH+]c(c1)N(C)C
C[C@H](C[C@H](O)c1ccco1)NC(=O)NCc1cc[nH+]c(N(C)C)c1 CN(C)[*:1] C[C@H](C[C@H](O)c1ccco1)NC(=O)NCc1cc[nH+]c(c1)[*:1]
C[C@H](C[C@H](O)c1ccco1)NC(=O)NCc1cc[nH+]c(N(C)C)c1 O[C@H](c1ccco1)[*:1] C[C@H](C[*:1])NC(=O)NCc1cc[nH+]c(c1)N(C)C
C[C@@]1(c2c(F)cccc2F)NC(=O)N(Cc2noc(C3CC3)n2)C1=O Fc1cccc(F)c1[*:1] C[C@]1(NC(=O)N(Cc2noc(n2)C2CC2)C1=O)[*:1]
C[C@@]1(c2c(F)cccc2F)NC(=O)N(Cc2noc(C3CC3)n2)C1=O C1CC1c1nc(no1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1c(F)cccc1F
C[C@@]1(c2c(F)cccc2F)NC(=O)N(Cc2noc(C3CC3)n2)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(Cc2noc(n2)[*:1])C1=O)c1c(F)cccc1F
CC(C)N(C(=O)Cn1c([C@@H](C)NC(=O)C2CC2)nc2ccccc21)C(C)C C[C@@H](NC(=O)C1CC1)[*:1] CC(C)N(C(=O)Cn1c(nc2ccccc21)[*:1])C(C)C
CC(C)N(C(=O)Cn1c([C@@H](C)NC(=O)C2CC2)nc2ccccc21)C(C)C CC(C)[*:1] CC(C)N(C(=O)Cn1c(nc2ccccc21)[C@@H](C)NC(=O)C1CC1)[*:1]
CC(C)N(C(=O)Cn1c([C@@H](C)NC(=O)C2CC2)nc2ccccc21)C(C)C O=C(N[*:1])C1CC1 CC(C)N(C(=O)Cn1c(nc2ccccc21)[C@@H](C)[*:1])C(C)C
CC(C)N(C(=O)Cn1c([C@@H](C)NC(=O)C2CC2)nc2ccccc21)C(C)C C1CC1[*:1] CC(C)N(C(=O)Cn1c(nc2ccccc21)[C@@H](C)NC(=O)[*:1])C(C)C
CC(C)N(C(=O)Cn1c([C@@H](C)NC(=O)C2CC2)nc2ccccc21)C(C)C CC(C)N(C(=O)[*:1])C(C)C C[C@@H](NC(=O)C1CC1)c1nc2ccccc2n1C[*:1]
Cc1ccccc1NC(=O)CCS(=O)(=O)c1cccc2nsnc12 Cc1ccccc1[*:1] O=C(CCS(=O)(=O)c1cccc2nsnc12)N[*:1]
CNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CCC(=O)N2[C@H]1c1ccc(OC)c(OC)c1 O=C([O-])[*:1] CNC(=O)[C@@H]1[C@H](c2ccc(OC)c(c2)OC)N2C(=O)CC[C@@H]2[C@H]1[*:1]
CNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CCC(=O)N2[C@H]1c1ccc(OC)c(OC)c1 CNC(=O)[*:1] COc1ccc(cc1OC)[C@H]1[C@H]([C@@H](C(=O)[O-])[C@H]2CCC(=O)N12)[*:1]
CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1 CC[C@@H](C)[*:1] N#Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
C/C=C/CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 CC=C[*:1] Clc1ccccc1CN1CCC(CC1)[NH2+]CC[*:1]
C/C=C/CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 C/C=C/C[*:1] Clc1ccccc1CN1CCC(CC1)[NH2+]C[*:1]
C[C@@H]1CN(C(=O)c2ccnc(Cl)c2[N+](=O)[O-])C[C@H]1[NH+](C)C O=[N+]([O-])[*:1] C[C@@H]1CN(C[C@H]1[NH+](C)C)C(=O)c1ccnc(Cl)c1[*:1]
CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)/C=C/c4ccc(C)cc4)C3)n2)c1 CCC(=O)N[*:1] Cc1ccc(/C=C/C(=O)N2CCC[C@H](C2)c2nc(no2)-c2cccc(c2)[*:1])cc1
CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)/C=C/c4ccc(C)cc4)C3)n2)c1 Cc1ccc(C=C[*:1])cc1 CCC(=O)Nc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)/C=C/c4ccc(C)cc4)C3)n2)c1 Cc1ccc(cc1)[*:1] CCC(=O)Nc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C=C[*:1]
CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)/C=C/c4ccc(C)cc4)C3)n2)c1 CCC(=O)Nc1cccc(c1)[*:1] Cc1ccc(/C=C/C(=O)N2CCC[C@H](C2)c2nc(no2)[*:1])cc1
CCC(CC)N(C)C(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 CCC(CC)[*:1] CN(C(=O)c1cccc(c1)N1NC(=O)[C@H]2CC=CC[C@H]2C1=O)[*:1]
CCC(CC)N(C)C(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 CCC(CC)N(C)C(=O)[*:1] O=C1NN(C(=O)[C@@H]2CC=CC[C@H]12)c1cccc(c1)[*:1]
Cc1nn(C)c(C)c1C(=O)N1CCO[C@H](/C(N)=N/O)C1 N/C(=N\O)[*:1] Cc1nn(C)c(C)c1C(=O)N1CCO[C@H](C1)[*:1]
Cc1s/c(=N\C(=O)c2ccccc2F)n([C@H](C)C(=O)NC(C)C)c1C Fc1ccccc1[*:1] Cc1s/c(=N\C(=O)[*:1])n(c1C)[C@H](C)C(=O)NC(C)C
Cc1s/c(=N\C(=O)c2ccccc2F)n([C@H](C)C(=O)NC(C)C)c1C CC(C)[*:1] Cc1s/c(=N\C(=O)c2ccccc2F)n(c1C)[C@H](C)C(=O)N[*:1]
Cc1s/c(=N\C(=O)c2ccccc2F)n([C@H](C)C(=O)NC(C)C)c1C CC(C)NC(=O)[*:1] Cc1s/c(=N\C(=O)c2ccccc2F)n(c1C)[C@H](C)[*:1]
CC(C)CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 CC(C)[*:1] O=C(NC[*:1])N1CCC[C@@H]1c1ccc2OCOc2c1
CC(C)CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 CC(C)C[*:1] O=C(N[*:1])N1CCC[C@@H]1c1ccc2OCOc2c1
Cc1ccc(C(=O)[C@@H](C)Oc2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] Cc1ccc(cc1)C(=O)[C@@H](C)Oc1ccc(cc1)[*:1]
Cc1ccc(C(=O)[C@@H](C)Oc2ccc(C(N)=O)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Oc1ccc(cc1)C(N)=O)C(=O)[*:1]
C#CC[C@H](C)OC(=O)c1ccc(CNC(=O)C=C(C)C)cc1 CC(C)=CC(=O)N[*:1] C#CC[C@H](C)OC(=O)c1ccc(cc1)C[*:1]
C#CC[C@H](C)OC(=O)c1ccc(CNC(=O)C=C(C)C)cc1 CC(C)=C[*:1] C#CC[C@H](C)OC(=O)c1ccc(cc1)CNC(=O)[*:1]
C#CC[C@H](C)OC(=O)c1ccc(CNC(=O)C=C(C)C)cc1 C#CC[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)O[C@@H](C)[*:1]
CCNC(=O)c1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[*:1]
NC(=O)C1CCN(C(=O)CCCCCNC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3C2)CC1 NC(=O)[*:1] O=C(CCCCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)N1CCC(CC1)[*:1]
c1ccc2c(C(c3ccsc3)c3c[nH]c4ccccc34)c[nH]c2c1 c1cc(cs1)[*:1] c1ccc2c(c[nH]c2c1)C(c1c[nH]c2ccccc12)[*:1]
C[C@H](CCN1CCOCC1)[NH2+]Cc1cccc(F)c1F C1CN(CCO1)[*:1] C[C@H](CC[*:1])[NH2+]Cc1cccc(F)c1F
Cc1cc(C(=O)N2CC[NH+](C)CC2)c(C)n1-c1ccc(N2CCC(C)CC2)nc1 CC1CCN(CC1)[*:1] Cc1cc(C(=O)N2CC[NH+](C)CC2)c(C)n1-c1ccc(nc1)[*:1]
CCCN(Cc1cccs1)C(=O)Nc1ccc(Br)cc1 c1csc(c1)[*:1] CCCN(C[*:1])C(=O)Nc1ccc(Br)cc1
CCCN(Cc1cccs1)C(=O)Nc1ccc(Br)cc1 CCC[*:1] O=C(Nc1ccc(Br)cc1)N(Cc1cccs1)[*:1]
CCCN(Cc1cccs1)C(=O)Nc1ccc(Br)cc1 c1csc(c1)C[*:1] CCCN(C(=O)Nc1ccc(Br)cc1)[*:1]
CCOC(=O)N1CC[C@@H](C(=O)Cl)C1 O=C(Cl)[*:1] CCOC(=O)N1CC[C@@H](C1)[*:1]
N#Cc1cccc(NC(=O)CSCc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)CSC[*:1]
CC(=O)N1CCN(C(=O)CS(=O)(=O)c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)[*:1]
CN(C)C(=O)N1CCN(C(=O)c2ccc(N3CCC(O)CC3)cc2)CC1 OC1CCN(CC1)[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
O=C(c1ccoc1)N1CCC([C@]2(c3cccnc3)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccoc1)N1CCC(CC1)[C@@]1(NC(=O)N(C[*:1])C1=O)c1cccnc1
O=C(c1ccoc1)N1CCC([C@]2(c3cccnc3)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1 c1cc(co1)[*:1] O=C1N[C@@](C(=O)N1Cc1ccc(F)cc1)(c1cccnc1)C1CCN(CC1)C(=O)[*:1]
O=C(c1ccoc1)N1CCC([C@]2(c3cccnc3)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1 c1cncc(c1)[*:1] O=C(c1ccoc1)N1CCC(CC1)[C@@]1(NC(=O)N(Cc2ccc(F)cc2)C1=O)[*:1]
O=C(c1ccoc1)N1CCC([C@]2(c3cccnc3)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1 Fc1ccc(cc1)C[*:1] O=C(c1ccoc1)N1CCC(CC1)[C@@]1(NC(=O)N(C1=O)[*:1])c1cccnc1
CC(C)CN(CCC[NH3+])C(=O)[C@]1(C)CCCO1 [NH3+]CC[*:1] CC(C)CN(C[*:1])C(=O)[C@]1(C)CCCO1
CC(C)CN(CCC[NH3+])C(=O)[C@]1(C)CCCO1 CC(C)C[*:1] C[C@]1(CCCO1)C(=O)N(CCC[NH3+])[*:1]
CC(C)CN(CCC[NH3+])C(=O)[C@]1(C)CCCO1 [NH3+]CCC[*:1] CC(C)CN(C(=O)[C@]1(C)CCCO1)[*:1]
CC(C)CN(CCC[NH3+])C(=O)[C@]1(C)CCCO1 CC(C)[*:1] C[C@]1(CCCO1)C(=O)N(CCC[NH3+])C[*:1]
C=C(C)C[C@H]([NH3+])Cc1ccc(OC)nc1 C=C(C)C[*:1] COc1ccc(cn1)C[C@@H]([NH3+])[*:1]
C=C(C)C[C@H]([NH3+])Cc1ccc(OC)nc1 C=C(C)[*:1] COc1ccc(cn1)C[C@@H]([NH3+])C[*:1]
COCC[NH2+]C[C@@H]1CCCCN1c1cc[nH+]cc1Cl COCC[NH2+]C[*:1] Clc1c[nH+]ccc1N1CCCC[C@H]1[*:1]
COCC[NH2+]C[C@@H]1CCCCN1c1cc[nH+]cc1Cl COCC[*:1] Clc1c[nH+]ccc1N1CCCC[C@H]1C[NH2+][*:1]
COCC[NH2+]C[C@@H]1CCCCN1c1cc[nH+]cc1Cl COC[*:1] Clc1c[nH+]ccc1N1CCCC[C@H]1C[NH2+]C[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)CCCC[NH3+] [NH3+]CCC[*:1] Cc1noc(C)c1[C@H](C)NC(=O)C[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)CCCC[NH3+] [NH3+]CC[*:1] Cc1noc(C)c1[C@H](C)NC(=O)CC[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)CCCC[NH3+] [NH3+]CCCC[*:1] Cc1noc(C)c1[C@H](C)NC(=O)[*:1]
N#CCOc1cccc(CC(=O)N2CCC(CN3CCCCC3=O)CC2)c1 O=C1CCCCN1C[*:1] N#CCOc1cccc(c1)CC(=O)N1CCC(CC1)[*:1]
N#CCOc1cccc(CC(=O)N2CCC(CN3CCCCC3=O)CC2)c1 O=C1CCCCN1[*:1] N#CCOc1cccc(c1)CC(=O)N1CCC(CC1)C[*:1]
N#CCOc1cccc(CC(=O)N2CCC(CN3CCCCC3=O)CC2)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])N1CCC(CC1)CN1CCCCC1=O
N#CCOc1cccc(CC(=O)N2CCC(CN3CCCCC3=O)CC2)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])N1CCC(CC1)CN1CCCCC1=O
COCCn1ccnc1C#N COC[*:1] N#Cc1nccn1C[*:1]
CC(=O)C[C@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 CC(=O)[*:1] O=S(=O)(c1ccc(Cl)cc1)[C@H](C[*:1])c1ccccc1
CC(=O)C[C@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)C[C@H](c1ccccc1)S(=O)(=O)[*:1]
CC(=O)C[C@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 CC(=O)C[*:1] O=S(=O)(c1ccc(Cl)cc1)[C@@H](c1ccccc1)[*:1]
CC(=O)C[C@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CC(=O)C[C@H](S(=O)(=O)c1ccc(Cl)cc1)[*:1]
C[C@@H](C(=O)NCCC1=CCCCC1)N1CCn2c(nnc2C2CC2)C1 C1CC1[*:1] C[C@@H](C(=O)NCCC1=CCCCC1)N1CCn2c(C1)nnc2[*:1]
C[C@H](NC(=O)Cc1ccc(F)cc1F)c1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[C@H](NC(=O)Cc1ccc(F)cc1F)c1nc(cs1)[*:1]
CCCNc1ncc(CN(C)c2ccccc2OC)s1 CCCN[*:1] COc1ccccc1N(C)Cc1cnc(s1)[*:1]
CCCNc1ncc(CN(C)c2ccccc2OC)s1 CCC[*:1] COc1ccccc1N(C)Cc1cnc(N[*:1])s1
Cc1noc([C@@H]2CCCN(Cc3cc[nH]c3)C2)n1 c1cc(c[nH]1)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C[*:1]
Cc1noc([C@@H]2CCCN(Cc3cc[nH]c3)C2)n1 c1cc(c[nH]1)C[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)[*:1]
Cc1noc([C@@H]2CCCN(Cc3cc[nH]c3)C2)n1 Cc1noc(n1)[*:1] c1cc(c[nH]1)CN1CCC[C@H](C1)[*:1]
C[C@H](c1ccncc1)[C@H]([NH3+])C1CCC1 C1CC(C1)[*:1] C[C@H](c1ccncc1)[C@H]([NH3+])[*:1]
CC[C@@H](CNC(=O)NCc1cccnc1-n1cccn1)c1ccccc1 c1cnn(c1)[*:1] CC[C@@H](CNC(=O)NCc1cccnc1[*:1])c1ccccc1
CC[C@@H](CNC(=O)NCc1cccnc1-n1cccn1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)NCc1cccnc1-n1cccn1)[*:1]
CC[C@@H](NC(=O)NCC(C)(C)C[C@@H](C)O)c1ccc(C)c(F)c1 C[C@@H](O)[*:1] CC[C@@H](NC(=O)NCC(C)(C)C[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)NCC(C)(C)C[C@@H](C)O)c1ccc(C)c(F)c1 C[C@@H](O)C[*:1] CC[C@@H](NC(=O)NCC(C)(C)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)NCC(C)(C)C[C@@H](C)O)c1ccc(C)c(F)c1 C[C@@H](O)CC(C)(C)[*:1] CC[C@@H](NC(=O)NC[*:1])c1ccc(C)c(F)c1
COc1cc(C)c(C[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)cc1OC CC1CCN(CC1)[*:1] COc1cc(C)c(cc1OC)C[NH2+]Cc1ccc(nc1)[*:1]
CCC[C@]1(CC)NC(=O)N(c2ccc(Br)cc2)N1 CCC[*:1] CC[C@@]1(NC(=O)N(N1)c1ccc(Br)cc1)[*:1]
CCOc1ccc(CN2CCN(C(=O)C3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 CCO[*:1] O=C(C1CC1)N1CCN(Cc2ccc(cc2)[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CCOc1ccc(CN2CCN(C(=O)C3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 C1CC1[*:1] CCOc1ccc(cc1)CN1CCN(C(=O)[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
CCCc1nc2nc(C)cc(Nc3ccccc3OCC)n2n1 CCC[*:1] CCOc1ccccc1Nc1cc(C)nc2nc(nn12)[*:1]
CCCc1nc2nc(C)cc(Nc3ccccc3OCC)n2n1 CCO[*:1] CCCc1nc2nc(C)cc(Nc3ccccc3[*:1])n2n1
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 CC(C)[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)[C@H]([NH2+]C1CCOCC1)[*:1]
O=C(Cc1ccsc1)N1CCN(C(=O)c2cc3ccncc3cn2)CC1 c1cc(cs1)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1cc2ccncc2cn1
O=C(Cc1ccsc1)N1CCN(C(=O)c2cc3ccncc3cn2)CC1 c1cc(cs1)C[*:1] O=C(c1cc2ccncc2cn1)N1CCN(CC1)C(=O)[*:1]
CCc1ccc(C(=O)Nc2ccccc2SCCC(N)=O)o1 NC(=O)CC[*:1] CCc1ccc(o1)C(=O)Nc1ccccc1S[*:1]
CCc1ccc(C(=O)Nc2ccccc2SCCC(N)=O)o1 CCc1ccc(o1)[*:1] NC(=O)CCSc1ccccc1NC(=O)[*:1]
CCc1ccc(C(=O)Nc2ccccc2SCCC(N)=O)o1 NC(=O)C[*:1] CCc1ccc(o1)C(=O)Nc1ccccc1SC[*:1]
CCc1ccc(C(=O)Nc2ccccc2SCCC(N)=O)o1 NC(=O)CCS[*:1] CCc1ccc(o1)C(=O)Nc1ccccc1[*:1]
CCc1ccc(C(=O)Nc2ccccc2SCCC(N)=O)o1 NC(=O)[*:1] CCc1ccc(o1)C(=O)Nc1ccccc1SCC[*:1]
COc1ccccc1C1(C(=O)NCC[NH+]2CCC(c3cccs3)CC2)CCOCC1 COc1ccccc1[*:1] O=C(NCC[NH+]1CCC(CC1)c1cccs1)C1(CCOCC1)[*:1]
COc1ccccc1C1(C(=O)NCC[NH+]2CCC(c3cccs3)CC2)CCOCC1 c1csc(c1)[*:1] COc1ccccc1C1(CCOCC1)C(=O)NCC[NH+]1CCC(CC1)[*:1]
CCCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] CCCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[*:1]
CCCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 CCC[*:1] Cc1cc(C)cc(c1)-n1c(nc2ccccc2c1=O)S[C@@H](C)C(=O)N[*:1]
CCCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 CCCNC(=O)[*:1] Cc1cc(C)cc(c1)-n1c(nc2ccccc2c1=O)S[C@@H](C)[*:1]
COc1ccc2nc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(C)cc3)sc2c1 Cc1ccc(cc1)[*:1] COc1ccc2nc(sc2c1)N(CC[NH+]1CCOCC1)C(=O)[*:1]
COC(=O)C1=C[C@@H](S(=O)(=O)[N-]c2cccc(OC)c2)C=N1 COC(=O)[*:1] COc1cccc(c1)[N-]S(=O)(=O)[C@H]1C=NC(=C1)[*:1]
COC(=O)c1cncc(C(=O)N(C[C@H](O)c2ccccc2)C2CC2)c1 COC(=O)[*:1] O=C(c1cncc(c1)[*:1])N(C[C@H](O)c1ccccc1)C1CC1
COC(=O)c1cncc(C(=O)N(C[C@H](O)c2ccccc2)C2CC2)c1 c1ccc(cc1)[*:1] COC(=O)c1cncc(c1)C(=O)N(C[C@H](O)[*:1])C1CC1
COC(=O)c1cncc(C(=O)N(C[C@H](O)c2ccccc2)C2CC2)c1 C1CC1[*:1] COC(=O)c1cncc(c1)C(=O)N(C[C@H](O)c1ccccc1)[*:1]
COC(=O)c1cncc(C(=O)N(C[C@H](O)c2ccccc2)C2CC2)c1 O[C@H](c1ccccc1)[*:1] COC(=O)c1cncc(c1)C(=O)N(C[*:1])C1CC1
Cc1ccc(S(=O)(=O)N(C)[C@@H](C(N)=O)c2cccc(F)c2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] CN([C@@H](C(N)=O)c1cccc(F)c1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(C)[C@@H](C(N)=O)c2cccc(F)c2)c(Br)c1 Fc1cccc(c1)[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)N(C)[C@@H](C(N)=O)[*:1]
Cc1ccc(S(=O)(=O)N(C)[C@@H](C(N)=O)c2cccc(F)c2)c(Br)c1 NC(=O)[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)N(C)[C@@H](c1cccc(F)c1)[*:1]
CC(C)CC[C@@]1(C)C[NH+]=C(N)N1c1ccccc1 CC(C)[*:1] C[C@]1(CC[*:1])C[NH+]=C(N)N1c1ccccc1
CC(C)CC[C@@]1(C)C[NH+]=C(N)N1c1ccccc1 CC(C)CC[*:1] C[C@]1(C[NH+]=C(N)N1c1ccccc1)[*:1]
CC(C)CC[C@@]1(C)C[NH+]=C(N)N1c1ccccc1 CC(C)C[*:1] C[C@@]1(C[NH+]=C(N)N1c1ccccc1)C[*:1]
CC(C)CC[C@@]1(C)C[NH+]=C(N)N1c1ccccc1 c1ccc(cc1)[*:1] CC(C)CC[C@@]1(C)C[NH+]=C(N)N1[*:1]
CCC[NH2+]Cc1cc(F)c(OC[C@H](C)O)c(F)c1 C[C@H](O)C[*:1] CCC[NH2+]Cc1cc(F)c(O[*:1])c(F)c1
CCC[NH2+]Cc1cc(F)c(OC[C@H](C)O)c(F)c1 C[C@H](O)[*:1] CCC[NH2+]Cc1cc(F)c(OC[*:1])c(F)c1
CCC[NH2+]Cc1cc(F)c(OC[C@H](C)O)c(F)c1 CCC[*:1] C[C@H](O)COc1c(F)cc(cc1F)C[NH2+][*:1]
CCC[NH2+]Cc1cc(F)c(OC[C@H](C)O)c(F)c1 C[C@H](O)CO[*:1] CCC[NH2+]Cc1cc(F)c(c(F)c1)[*:1]
CCNC(=O)c1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 CCNC(=O)[*:1] O=S(=O)(NCc1ccc(cc1)[*:1])c1cc(ccc1Cl)C(F)(F)F
CCNC(=O)c1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 FC(F)(F)[*:1] CCNC(=O)c1ccc(cc1)CNS(=O)(=O)c1cc(ccc1Cl)[*:1]
CCCC(=O)c1ccn(Cc2cc(C)nn2CC)c1 CCCC(=O)[*:1] CCn1nc(C)cc1Cn1ccc(c1)[*:1]
CCCC(=O)c1ccn(Cc2cc(C)nn2CC)c1 CCC[*:1] CCn1nc(C)cc1Cn1ccc(c1)C(=O)[*:1]
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O Clc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)c2ccc3OCCOc3c2)C1=O)[*:1]
Cc1ncsc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 Cc1ncsc1[*:1] O=C(N1CCC[C@H]1c1ccc2OCCCOc2c1)[*:1]
COc1cc2ncnc(SCC(=O)N3CCOCC3)c2cc1OC O=C(N1CCOCC1)[*:1] COc1cc2ncnc(SC[*:1])c2cc1OC
Cc1cc(C)n(Cc2c(C(=O)N3CCC[C@H](Cc4ccccc4)C3)noc2C)n1 Cc1cc(C)n(n1)[*:1] Cc1onc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c1C[*:1]
Cc1cc(C)n(Cc2c(C(=O)N3CCC[C@H](Cc4ccccc4)C3)noc2C)n1 c1ccc(cc1)C[*:1] Cc1cc(C)n(Cc2c(noc2C)C(=O)N2CCC[C@H](C2)[*:1])n1
Cc1cc(C)n(Cc2c(C(=O)N3CCC[C@H](Cc4ccccc4)C3)noc2C)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(Cc2c(noc2C)C(=O)N2CCC[C@@H](C2)C[*:1])n1
Cc1cc(C)n(Cc2c(C(=O)N3CCC[C@H](Cc4ccccc4)C3)noc2C)n1 Cc1cc(C)n(C[*:1])n1 Cc1onc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c1[*:1]
CCn1c2ccccc2c2cc([C@@H]3C(C(N)=O)=C(N)Oc4[nH]nc(C)c43)ccc21 NC(=O)[*:1] CCn1c2ccccc2c2cc(ccc21)[C@@H]1C(=C(N)Oc2[nH]nc(C)c21)[*:1]
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] COc1ccc(Cl)cc1/C=C(\C#N)C(=O)N[*:1]
COc1ccccc1N1C[C@](O)(c2cccs2)[N+]2=C1CCCCC2 c1csc(c1)[*:1] COc1ccccc1N1C[C@](O)([N+]2CCCCCC=21)[*:1]
COc1ccccc1N1C[C@](O)(c2cccs2)[N+]2=C1CCCCC2 COc1ccccc1[*:1] O[C@@]1(CN(C2CCCCC[N+]=21)[*:1])c1cccs1
CCCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(N)cc1 CCC[*:1] C[C@H](C(=O)NC[*:1])S(=O)(=O)c1ccc(N)cc1
CCCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(N)cc1 CCCC[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)c1ccc(N)cc1
C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 C1CC(CCO1)[*:1] C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 O=C(NC1CCOCC1)[*:1] C[C@H]1CCC[C@@H](C)CN1C(=O)Nc1ccc(cc1)[*:1]
CCC(CC)(CC(=O)Nc1cccc(C#N)c1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(CC(=O)Nc1cccc(C#N)c1)[*:1]
COc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] COc1ccc(Cl)cc1NC(=O)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccccc1 COC(=O)[C@@H](C)[*:1] O=C(Cc1c[nH]c2cc(F)ccc12)N[C@@H](c1ccccc1)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccccc1 COC(=O)[*:1] C[C@@H]([C@@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)c1ccccc1)[*:1]
Cc1noc(C)c1C(=O)/N=c1/sccn1Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1noc(C)c1C(=O)/N=c1/sccn1C[*:1]
Cc1noc(C)c1C(=O)/N=c1/sccn1Cc1ccccc1Cl Cc1noc(C)c1[*:1] O=C(/N=c1/sccn1Cc1ccccc1Cl)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1ncoc1-c1ccc(C)cc1 CCS(=O)(=O)C[*:1] Cc1ccc(cc1)-c1ocnc1C(=O)N(C)C[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1ncoc1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCS(=O)(=O)CCN(C)C(=O)c1ncoc1[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1ncoc1-c1ccc(C)cc1 CCS(=O)(=O)CC[*:1] Cc1ccc(cc1)-c1ocnc1C(=O)N(C)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1ncoc1-c1ccc(C)cc1 CCS(=O)(=O)[*:1] Cc1ccc(cc1)-c1ocnc1C(=O)N(C)CC[*:1]
COc1ccccc1OCC(=O)N1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c23)C1 FC(F)(F)[*:1] COc1ccccc1OCC(=O)N1CCC[C@@H](C1)c1noc2nc(C)cc(c12)[*:1]
COc1ccccc1OCC(=O)N1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c23)C1 COc1ccccc1O[*:1] Cc1cc(c2c(noc2n1)[C@H]1CCCN(C1)C(=O)C[*:1])C(F)(F)F
COc1ccccc1OCC(=O)N1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c23)C1 COc1ccccc1[*:1] Cc1cc(c2c(noc2n1)[C@H]1CCCN(C1)C(=O)CO[*:1])C(F)(F)F
COc1ccccc1OCC(=O)N1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c23)C1 COc1ccccc1OC[*:1] Cc1cc(c2c(noc2n1)[C@H]1CCCN(C1)C(=O)[*:1])C(F)(F)F
COc1ccc([C@H](NC(=O)N[C@H]2CCCn3c(C)nnc32)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)N[C@H]1CCCn2c(C)nnc21)[*:1]
COc1ccc([C@H](NC(=O)N[C@H]2CCCn3c(C)nnc32)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N[C@H](C1CCOCC1)[*:1]
COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1NC(=O)[*:1])-c1nc2ccccc2o1
COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)C[*:1])-c1nc2ccccc2o1
COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Cc1ccccc1 c1ccc2oc(nc2c1)[*:1] COc1ccc(cc1NC(=O)Cc1ccccc1)[*:1]
Cc1ccc(NC(=O)c2csc(Br)c2)c(C(=O)[O-])c1 Brc1cc(cs1)[*:1] Cc1ccc(NC(=O)[*:1])c(c1)C(=O)[O-]
Cc1ccc(NC(=O)c2csc(Br)c2)c(C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(NC(=O)c2csc(Br)c2)c(c1)[*:1]
C[C@H](NCC(C)(C)[NH+]1CCN(C)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NCC(C)(C)[NH+]1CCN(C)CC1)[*:1]
CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[*:1]
CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)nc1 O=S1(=O)CC[C@H](C1)[*:1] CCCN(S(=O)(=O)c1ccc(Cl)nc1)[*:1]
CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)nc1 CCC[*:1] O=S1(=O)CC[C@H](C1)N(S(=O)(=O)c1ccc(Cl)nc1)[*:1]
O=C(CSc1nnnn1Cc1cccs1)c1ccc(F)cc1F c1csc(c1)[*:1] O=C(CSc1nnnn1C[*:1])c1ccc(F)cc1F
O=C(CSc1nnnn1Cc1cccs1)c1ccc(F)cc1F c1csc(c1)C[*:1] O=C(CSc1nnnn1[*:1])c1ccc(F)cc1F
N#Cc1ccc(C[NH+]2CCC(OCCCO)CC2)o1 OCCCO[*:1] N#Cc1ccc(C[NH+]2CCC(CC2)[*:1])o1
N#Cc1ccc(C[NH+]2CCC(OCCCO)CC2)o1 OCC[*:1] N#Cc1ccc(C[NH+]2CCC(CC2)OC[*:1])o1
N#Cc1ccc(C[NH+]2CCC(OCCCO)CC2)o1 OCCC[*:1] N#Cc1ccc(C[NH+]2CCC(CC2)O[*:1])o1
CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cccs1 c1csc(c1)[*:1] CCC[NH2+][C@H](Cc1ccc(C)cn1)[*:1]
CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cccs1 CCC[*:1] Cc1ccc(C[C@@H]([NH2+][*:1])c2cccs2)nc1
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1c1ccccc1 CC(C)[*:1] N#Cc1ccc(O[*:1])c(c1)NC(=O)C(=O)N1CCC[C@H]1c1ccccc1
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1[*:1]
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1c1ccccc1 CC(C)O[*:1] N#Cc1ccc(c(c1)NC(=O)C(=O)N1CCC[C@H]1c1ccccc1)[*:1]
CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc2c(c1)OCCCO2 CC(=O)[*:1] CC1Nc2ncnn2[C@H](C=1[*:1])c1ccc2OCCCOc2c1
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)C[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(CC1)[*:1]
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCN(CC1)C[*:1]
COC(=O)c1ccccc1-n1ncc(NC[C@@H](C)O)c(Cl)c1=O COC(=O)[*:1] C[C@@H](O)CNc1cnn(-c2ccccc2[*:1])c(=O)c1Cl
COC(=O)c1ccccc1-n1ncc(NC[C@@H](C)O)c(Cl)c1=O C[C@@H](O)[*:1] COC(=O)c1ccccc1-n1ncc(NC[*:1])c(Cl)c1=O
COC(=O)c1ccccc1-n1ncc(NC[C@@H](C)O)c(Cl)c1=O C[C@@H](O)CN[*:1] COC(=O)c1ccccc1-n1ncc(c(Cl)c1=O)[*:1]
C[C@@H](CO)CS[C@@H](C)C[C@@](C)([NH3+])C(=O)[O-] C[C@@H](CO)C[*:1] C[C@@H](C[C@@](C)([NH3+])C(=O)[O-])S[*:1]
C[C@@H](CO)CS[C@@H](C)C[C@@](C)([NH3+])C(=O)[O-] C[C@@H](CO)[*:1] C[C@@H](C[C@@](C)([NH3+])C(=O)[O-])SC[*:1]
C[C@@H](CO)CS[C@@H](C)C[C@@](C)([NH3+])C(=O)[O-] O=C([O-])[*:1] C[C@@H](CO)CS[C@@H](C)C[C@@](C)([NH3+])[*:1]
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1nc2ccccc2s1 c1cncc(c1)[*:1] O=C(CSc1nnc(n1Cc1ccco1)[*:1])Nc1nc2ccccc2s1
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1nc2ccccc2s1 c1coc(c1)C[*:1] O=C(CSc1nnc(-c2cccnc2)n1[*:1])Nc1nc2ccccc2s1
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)N[*:1]
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1nc2ccccc2s1 c1coc(c1)[*:1] O=C(CSc1nnc(-c2cccnc2)n1C[*:1])Nc1nc2ccccc2s1
O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)c(Cl)c1
O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)OC[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)c(Cl)c1
O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1Cl)[*:1] O=C(Nc1ccc(cc1)OCc1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 c1ccc(cc1)CO[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)c(Cl)c1
Cc1noc(C)c1CCCNC(=O)Nc1ccnn1C1CCCCC1 C1CCC(CC1)[*:1] Cc1noc(C)c1CCCNC(=O)Nc1ccnn1[*:1]
Cc1noc(C)c1CCCNC(=O)Nc1ccnn1C1CCCCC1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])Nc1ccnn1C1CCCCC1
Cc1noc(C)c1CCCNC(=O)Nc1ccnn1C1CCCCC1 Cc1noc(C)c1C[*:1] O=C(NCC[*:1])Nc1ccnn1C1CCCCC1
C=CCS(=O)(=O)/N=C(\[O-])[C@@H](C)c1ccc(Br)cc1 C=CC[*:1] C[C@H](/C([O-])=N/S(=O)(=O)[*:1])c1ccc(Br)cc1
C[S@](=O)C[C@H](NC(=O)C#Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[S@](=O)C[C@H](NC(=O)C#Cc1ccccc1)[*:1]
C[S@](=O)C[C@H](NC(=O)C#Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[S@](=O)C[C@H](NC(=O)C#C[*:1])c1ccccc1
COc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2cccs2)CO3)C1=O COc1ccccc1[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(CCc3cccs3)Cc12
COc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2cccs2)CO3)C1=O c1csc(c1)C[*:1] COc1ccccc1/C=C1\Oc2c(ccc3OCN(Cc32)C[*:1])C1=O
COc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2cccs2)CO3)C1=O c1csc(c1)CC[*:1] COc1ccccc1/C=C1\Oc2c(ccc3OCN(Cc32)[*:1])C1=O
COc1ccccc1/C=C1\Oc2c(ccc3c2CN(CCc2cccs2)CO3)C1=O c1csc(c1)[*:1] COc1ccccc1/C=C1\Oc2c(ccc3OCN(CC[*:1])Cc32)C1=O
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)NCC[S@@](C)=O)n1 Cc1cccc(n1)[*:1] Cc1cccc(CN(C[*:1])C(=O)NCC[S@@](C)=O)n1
Cc1cccc(CN(Cc2cccc(C)n2)C(=O)NCC[S@@](C)=O)n1 Cc1cccc(C[*:1])n1 Cc1cccc(CN(C(=O)NCC[S@@](C)=O)[*:1])n1
CCOCCCNS(=O)(=O)c1c(N)ccc(C)c1C CCOCCC[*:1] Cc1ccc(N)c(c1C)S(=O)(=O)N[*:1]
CCOCCCNS(=O)(=O)c1c(N)ccc(C)c1C CCOCC[*:1] Cc1ccc(N)c(c1C)S(=O)(=O)NC[*:1]
CCOCCCNS(=O)(=O)c1c(N)ccc(C)c1C CCOC[*:1] Cc1ccc(N)c(c1C)S(=O)(=O)NCC[*:1]
CCOCCCNS(=O)(=O)c1c(N)ccc(C)c1C CCO[*:1] Cc1ccc(N)c(c1C)S(=O)(=O)NCCC[*:1]
CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(C)cc2)c(Cl)c1 Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(NC(=O)N[C@@H](C)[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(C)cc2)c(Cl)c1 CC(=O)N[*:1] Cc1ccc(cc1)[C@H](C)NC(=O)Nc1ccc(cc1Cl)[*:1]
CS[C@H]1CCC[C@@H]([NH2+]Cc2ncc(-c3ccccc3)s2)C1 c1ccc(cc1)[*:1] CS[C@H]1CCC[C@H](C1)[NH2+]Cc1ncc(s1)[*:1]
CC(C)NC(=O)CN(C)[C@H](C(=O)N1CCCCC1)c1ccccc1 O=C(N1CCCCC1)[*:1] CC(C)NC(=O)CN(C)[C@H](c1ccccc1)[*:1]
CC(C)NC(=O)CN(C)[C@H](C(=O)N1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)NC(=O)CN(C)[C@H](C(=O)N1CCCCC1)[*:1]
CC(C)NC(=O)CN(C)[C@H](C(=O)N1CCCCC1)c1ccccc1 CC(C)NC(=O)[*:1] CN(C[*:1])[C@H](C(=O)N1CCCCC1)c1ccccc1
CC(C)NC(=O)CN(C)[C@H](C(=O)N1CCCCC1)c1ccccc1 CC(C)[*:1] CN(CC(=O)N[*:1])[C@H](C(=O)N1CCCCC1)c1ccccc1
CC(C)NC(=O)CN(C)[C@H](C(=O)N1CCCCC1)c1ccccc1 CC(C)NC(=O)C[*:1] CN([C@H](C(=O)N1CCCCC1)c1ccccc1)[*:1]
O=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1ccc2ccccc2n1 FC(F)(F)C[*:1] O=C(NNC(=O)c1cccnc1O[*:1])c1ccc2ccccc2n1
O=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1ccc2ccccc2n1 FC(F)(F)[*:1] O=C(NNC(=O)c1cccnc1OC[*:1])c1ccc2ccccc2n1
O=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1ccc2ccccc2n1 FC(F)(F)CO[*:1] O=C(NNC(=O)c1cccnc1[*:1])c1ccc2ccccc2n1
C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCC[*:1]
C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCCc1nnc2n1CCC2 c1ccc(cc1)[*:1] C[C@H](CC(C)(C)[*:1])NC(=O)NCCc1nnc2CCCn21
CC(C)[C@@H](CO)NC(=O)/C=C/c1ccc(C#N)cc1 CC(C)[*:1] N#Cc1ccc(/C=C/C(=O)N[C@H](CO)[*:1])cc1
CC(C)[C@@H](CO)NC(=O)/C=C/c1ccc(C#N)cc1 CC(C)[C@@H](CO)[*:1] N#Cc1ccc(/C=C/C(=O)N[*:1])cc1
COCCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C(=O)OC)ccc21 COCC[*:1] COC(=O)c1ccc2c(c1)s/c(=N\C(=O)[C@@H]1CCCN(C1)S(C)(=O)=O)n2[*:1]
COCCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C(=O)OC)ccc21 COC[*:1] COC(=O)c1ccc2c(c1)s/c(=N\C(=O)[C@@H]1CCCN(C1)S(C)(=O)=O)n2C[*:1]
COCCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C(=O)OC)ccc21 COC(=O)[*:1] COCCn1/c(=N/C(=O)[C@@H]2CCCN(C2)S(C)(=O)=O)sc2cc(ccc21)[*:1]
Cc1ccccc1CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 Cc1ccccc1[*:1] O=C(NC[*:1])c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
Cc1ccccc1CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 Cc1ccccc1C[*:1] O=C(N[*:1])c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
Cc1ccccc1CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 C1CC1[*:1] Cc1ccccc1CNC(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)[*:1]
CCN1CCO[C@@H](C(=O)N2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 CCN1CCO[C@@H](C1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)[*:1]
N#C[C@@H]1CNCCN1C(=O)CCn1ccnn1 c1cn(nn1)[*:1] N#C[C@@H]1CNCCN1C(=O)CC[*:1]
O=C(c1ccc(C2SCCS2)cc1)N1CCN(c2ccccc2F)CC1 C1CSC(S1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccccc1F
O=C(c1ccc(C2SCCS2)cc1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1ccc(cc1)C1SCCS1)N1CCN(CC1)[*:1]
Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1C Cc1ccc(cc1C)O[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl
Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(CO[*:1])N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl
Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1C Clc1cccc(Cl)c1[*:1] Cc1ccc(cc1C)OCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCCC(C)(C)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CCC[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)NC(C)(C)[*:1]
CCCC(C)(C)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CC(C)[*:1] CCCC(C)(C)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCCC(C)(C)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CCCC(C)(C)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCN(CCO)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 OCC[*:1] CCN(C(=O)N[C@@H](c1nc(C)cs1)C1CC1)[*:1]
CCN(CCO)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 C1CC1[*:1] CCN(CCO)C(=O)N[C@@H](c1nc(C)cs1)[*:1]
CCN(CCO)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 Cc1csc(n1)[*:1] CCN(CCO)C(=O)N[C@@H](C1CC1)[*:1]
O=C(Nc1cccc(-c2n[nH]c3c2CCC3)c1)c1ccc2ccccc2n1 C1Cc2[nH]nc(c2C1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2ccccc2n1
CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O CC(C)C[*:1] CNC(=O)[C@@H](NC(=O)N[C@H]1CCCN(C1=O)c1ccc(C)cc1)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O CNC(=O)[*:1] Cc1ccc(cc1)N1CCC[C@H](NC(=O)N[C@H](CC(C)C)[*:1])C1=O
CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O CNC(=O)[C@@H](CC(C)C)[*:1] Cc1ccc(cc1)N1CCC[C@H](NC(=O)N[*:1])C1=O
CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O Cc1ccc(cc1)[*:1] CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H]1CCCN(C1=O)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NC(=O)N[C@H]1CCCN(C1=O)c1ccc(C)cc1
CCc1noc(-c2ccc(CCNC(=O)c3ccccc3Cl)cc2)n1 CCc1noc(n1)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1ccccc1Cl
CCc1noc(-c2ccc(CCNC(=O)c3ccccc3Cl)cc2)n1 Clc1ccccc1[*:1] CCc1noc(n1)-c1ccc(cc1)CCNC(=O)[*:1]
C/[NH+]=C(/NCc1ccc(OC(C)C)nc1)N[C@@H]1C[C@H]1C CC(C)O[*:1] C/[NH+]=C(/NCc1ccc(nc1)[*:1])N[C@@H]1C[C@H]1C
C/[NH+]=C(/NCc1ccc(OC(C)C)nc1)N[C@@H]1C[C@H]1C CC(C)[*:1] C/[NH+]=C(/NCc1ccc(nc1)O[*:1])N[C@@H]1C[C@H]1C
C[C@@H](C(=O)OCc1ccccc1Cl)n1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 Clc1ccccc1[*:1] C[C@@H](C(=O)OC[*:1])n1nnc2sc3C[C@H](C)CCc3c2c1=O
C[C@@H](C(=O)OCc1ccccc1Cl)n1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 Clc1ccccc1C[*:1] C[C@@H](C(=O)O[*:1])n1nnc2sc3C[C@H](C)CCc3c2c1=O
Cc1noc([C@H]2CCCN2C(=O)c2ccc[nH]c2=O)n1 Cc1noc(n1)[*:1] O=C(c1ccc[nH]c1=O)N1CCC[C@@H]1[*:1]
Cc1cccc(C)c1NC(=O)CSCc1ccon1 c1cc(no1)[*:1] Cc1cccc(C)c1NC(=O)CSC[*:1]
Cc1cccc(C)c1NC(=O)CSCc1ccon1 c1cc(C[*:1])no1 Cc1cccc(C)c1NC(=O)CS[*:1]
NC(=O)NCCCCC(=O)Nc1ccc2nc(C3CC3)oc2c1 NC(=O)N[*:1] O=C(CCCC[*:1])Nc1ccc2nc(oc2c1)C1CC1
NC(=O)NCCCCC(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] NC(=O)NCCCCC(=O)Nc1ccc2nc(oc2c1)[*:1]
NC(=O)NCCCCC(=O)Nc1ccc2nc(C3CC3)oc2c1 NC(=O)NC[*:1] O=C(CCC[*:1])Nc1ccc2nc(oc2c1)C1CC1
NC(=O)NCCCCC(=O)Nc1ccc2nc(C3CC3)oc2c1 NC(=O)NCCC[*:1] O=C(C[*:1])Nc1ccc2nc(oc2c1)C1CC1
NC(=O)NCCCCC(=O)Nc1ccc2nc(C3CC3)oc2c1 NC(=O)NCC[*:1] O=C(CC[*:1])Nc1ccc2nc(oc2c1)C1CC1
c1ccc(-c2cnnn2-c2nonc2-n2cccc2)cc1 c1ccc(cc1)[*:1] c1ccn(c1)-c1nonc1-n1nncc1[*:1]
c1ccc(-c2cnnn2-c2nonc2-n2cccc2)cc1 c1ccn(c1)[*:1] c1ccc(cc1)-c1cnnn1-c1nonc1[*:1]
CC(=O)N[C@@H](CC(=O)Nc1cnn(C)c1)c1cccs1 CC(=O)N[*:1] Cn1cc(cn1)NC(=O)C[C@@H](c1cccs1)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1cnn(C)c1)c1cccs1 Cn1cc(cn1)[*:1] CC(=O)N[C@@H](CC(=O)N[*:1])c1cccs1
CC(=O)N[C@@H](CC(=O)Nc1cnn(C)c1)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1cnn(C)c1)[*:1]
COc1cccc([C@@H](CNC(=O)Nc2ccccn2)[NH+]2CCCC2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)[C@@H](CNC(=O)N[*:1])[NH+]1CCCC1
COc1cccc([C@@H](CNC(=O)Nc2ccccn2)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])Nc1ccccn1
O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN1C(=O)C1CC1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN1C(=O)C1CC1
O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)-c1ccc(F)cc1)[C@H]1CCCN1C(=O)[*:1]
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 C[S@](=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1
CC(=O)c1cccc(NCC(=O)N(C)Cc2ccco2)c1 c1coc(c1)[*:1] CC(=O)c1cccc(c1)NCC(=O)N(C)C[*:1]
CC(=O)c1cccc(NCC(=O)N(C)Cc2ccco2)c1 c1coc(c1)C[*:1] CC(=O)c1cccc(c1)NCC(=O)N(C)[*:1]
CC(=O)c1cccc(NCC(=O)N(C)Cc2ccco2)c1 CC(=O)[*:1] CN(Cc1ccco1)C(=O)CNc1cccc(c1)[*:1]
N#C[C@H](C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] N#C[C@H](C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)[*:1]
N#C[C@H](C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] N#C[C@H](C(=O)CSc1nnc(-c2ccccc2)n1[*:1])c1ccccc1
N#C[C@H](C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] N#C[C@H](C(=O)CSc1nnc(n1-c1ccccc1)[*:1])c1ccccc1
C/C(=N/NC(=O)c1c(Cl)c(C)nn1C)c1cccc(NC(=O)C2CCCC2)c1 O=C(N[*:1])C1CCCC1 C/C(=N/NC(=O)c1c(Cl)c(C)nn1C)c1cccc(c1)[*:1]
C/C(=N/NC(=O)c1c(Cl)c(C)nn1C)c1cccc(NC(=O)C2CCCC2)c1 C1CCC(C1)[*:1] C/C(=N/NC(=O)c1c(Cl)c(C)nn1C)c1cccc(c1)NC(=O)[*:1]
C/C(=N/NC(=O)c1c(Cl)c(C)nn1C)c1cccc(NC(=O)C2CCCC2)c1 Cc1nn(C)c(c1Cl)[*:1] C/C(=N/NC(=O)[*:1])c1cccc(c1)NC(=O)C1CCCC1
N#CCc1ccc(S(=O)(=O)NCCc2ccco2)cc1 N#CC[*:1] O=S(=O)(NCCc1ccco1)c1ccc(cc1)[*:1]
N#CCc1ccc(S(=O)(=O)NCCc2ccco2)cc1 c1coc(c1)[*:1] N#CCc1ccc(cc1)S(=O)(=O)NCC[*:1]
N#CCc1ccc(S(=O)(=O)NCCc2ccco2)cc1 c1coc(c1)C[*:1] N#CCc1ccc(cc1)S(=O)(=O)NC[*:1]
CC(C)(C)Oc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1O CC(C)(C)[*:1] O=C(NCc1ccccc1O[*:1])N[C@@H]1CCCC[C@H]1O
CC(C)(C)Oc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1O CC(C)(C)O[*:1] O=C(NCc1ccccc1[*:1])N[C@@H]1CCCC[C@H]1O
NNC(=O)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 NNC(=O)[*:1] Clc1ccc2oc(nc2c1)-c1cccc(c1)[*:1]
CCc1nnc(NC(=O)CCCC(=O)N(C)C)s1 CN(C)C(=O)[*:1] CCc1nnc(NC(=O)CCC[*:1])s1
CCc1nnc(NC(=O)CCCC(=O)N(C)C)s1 CN(C)C(=O)C[*:1] CCc1nnc(NC(=O)CC[*:1])s1
C[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] C[C@H](Sc1ncnc2nc[nH]c12)C(=O)N[*:1]
Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])[C@@H](C#N)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
Cn1c(-c2ccccc2)nnc1[C@@H](C#N)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] Cn1c(nnc1[C@@H](C#N)C(=O)[C@H]1CCCN1C(=O)O[*:1])-c1ccccc1
O=C(NCc1cccc2cccnc12)Nc1cccnc1 c1cncc(c1)[*:1] O=C(NCc1cccc2cccnc12)N[*:1]
Cc1ccsc1[C@H]1CC(=O)NC(=O)[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1ccsc1[C@H]1CC(=O)NC(=O)[C@H]1[*:1]
Cc1ccsc1[C@H]1CC(=O)NC(=O)[C@@H]1c1cccc(Cl)c1 Cc1ccsc1[*:1] O=C1C[C@@H]([C@H](C(=O)N1)c1cccc(Cl)c1)[*:1]
CCOc1cc(C=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCOc1cc(C=O)cc(Br)c1OS(=O)(=O)[*:1]
CCOc1cc(C=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 CCO[*:1] Cc1ccc(cc1)S(=O)(=O)Oc1c(Br)cc(C=O)cc1[*:1]
O=C(CCCn1ccnn1)N[C@@H]1C[C@@H]1c1ccc(Br)cc1 c1cn(CC[*:1])nn1 O=C(C[*:1])N[C@@H]1C[C@@H]1c1ccc(Br)cc1
O=C(CCCn1ccnn1)N[C@@H]1C[C@@H]1c1ccc(Br)cc1 c1cn(nn1)[*:1] O=C(CCC[*:1])N[C@@H]1C[C@@H]1c1ccc(Br)cc1
O=C(CCCn1ccnn1)N[C@@H]1C[C@@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCCn1ccnn1)N[C@@H]1C[C@H]1[*:1]
O=C(CCCn1ccnn1)N[C@@H]1C[C@@H]1c1ccc(Br)cc1 c1cn(C[*:1])nn1 O=C(CC[*:1])N[C@@H]1C[C@@H]1c1ccc(Br)cc1
CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)/C=C\c2ccccc2)c1 CNC(=O)[*:1] O=S(=O)(/C=C\c1ccccc1)[N-]c1cc(ccc1Cl)[*:1]
CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)/C=C\c2ccccc2)c1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(Cl)c(c1)[N-]S(=O)(=O)C=C[*:1]
Cc1ccc(O[C@@H](C)C(=O)Nc2[nH]nc(C3CC3)c2C)c(Br)c1 C1CC1[*:1] Cc1ccc(O[C@@H](C)C(=O)Nc2[nH]nc(c2C)[*:1])c(Br)c1
CCc1cccc2c(C(=O)C(=O)Nc3nccs3)c[nH]c12 c1csc(n1)[*:1] CCc1cccc2c(c[nH]c12)C(=O)C(=O)N[*:1]
C#CCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 C#CCNC(=O)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1cccs1
C#CCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 C#CC[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1cccs1
C#CCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 c1csc(c1)[*:1] C#CCNC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1cc(NS(=O)(=O)C2CC2)ccc1Br C1CC1[*:1] Cc1cc(ccc1Br)NS(=O)(=O)[*:1]
C=CC[NH+](Cc1nnc(-c2cc(C)oc2C)o1)CC1CCCCC1 Cc1cc(c(C)o1)[*:1] C=CC[NH+](Cc1nnc(o1)[*:1])CC1CCCCC1
C=CC[NH+](Cc1nnc(-c2cc(C)oc2C)o1)CC1CCCCC1 C1CCC(CC1)[*:1] C=CC[NH+](Cc1nnc(o1)-c1cc(C)oc1C)C[*:1]
C=CC[NH+](Cc1nnc(-c2cc(C)oc2C)o1)CC1CCCCC1 C1CCC(CC1)C[*:1] C=CC[NH+](Cc1nnc(o1)-c1cc(C)oc1C)[*:1]
Cc1cn(-c2ccccc2)nc1[C@@H](O)n1nnc2ccccc21 c1ccc(cc1)[*:1] Cc1cn(nc1[C@@H](O)n1nnc2ccccc21)[*:1]
COC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccco2)cc1 COC(=O)[*:1] O=C(NC[C@@H](O)c1ccco1)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)NC[C@@H](O)c2ccco2)cc1 c1coc(c1)[*:1] COC(=O)c1ccc(cc1)C(=O)NC[C@@H](O)[*:1]
O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1cc2OCCc2cc1C[*:1] O=C(C1CCN(CC1)[C@H]1CCS(=O)(=O)C1)N1CCN(CC1)[*:1]
O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1cc2OCCc2cc1[*:1] O=C(C1CCN(CC1)[C@H]1CCS(=O)(=O)C1)N1CCN(CC1)C[*:1]
Cc1ccccc1C(=O)NCCC(=O)N1CC[S@](=O)C(C)(C)C1 Cc1ccccc1[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)CCNC(=O)[*:1]
COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(C)C CC(C)[*:1] COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[*:1]
COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(C)C COC(=O)[*:1] CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[*:1]
COC1CC[NH+](CCNC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] COC1CC[NH+](CCNC(=O)NCc2ccc(cc2)[*:1])CC1
O=C(Nc1nc(CC(=O)N2CCCCCC2)cs1)c1ccco1 c1coc(c1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])N1CCCCCC1
CCC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H](C)[C@@H](C)O C[C@@H]([C@@H](C)O)[*:1] CCC[NH2+][C@H](C)c1ccc(F)cc1O[*:1]
CCC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H](C)[C@@H](C)O C[C@@H](O)[*:1] CCC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H](C)[*:1]
CCC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H](C)[C@@H](C)O CCC[*:1] C[C@H](Oc1cc(F)ccc1[C@@H](C)[NH2+][*:1])[C@@H](C)O
CCC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H](C)[C@@H](C)O C[C@H](O[*:1])[C@@H](C)O CCC[NH2+][C@H](C)c1ccc(F)cc1[*:1]
CC(C)N[C@@]1(C#N)CC[C@@H](n2cc(Br)cn2)C1 CC(C)N[*:1] N#C[C@]1(CC[C@H](C1)n1cc(Br)cn1)[*:1]
CC(C)N[C@@]1(C#N)CC[C@@H](n2cc(Br)cn2)C1 CC(C)[*:1] N#C[C@@]1(CC[C@H](C1)n1cc(Br)cn1)N[*:1]
CC(=O)c1ccc(OC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc1 CC(=O)[*:1] CC(C)c1noc2nc(cc(C(=O)Oc3ccc(cc3)[*:1])c12)C1CC1
CC(=O)c1ccc(OC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)OC(=O)c1cc(nc2onc(c12)[*:1])C1CC1
CC(=O)c1ccc(OC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc1 CC(=O)c1ccc(cc1)[*:1] CC(C)c1noc2nc(cc(C(=O)O[*:1])c12)C1CC1
CC(=O)c1ccc(OC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)cc1 C1CC1[*:1] CC(=O)c1ccc(cc1)OC(=O)c1cc(nc2onc(c12)C(C)C)[*:1]
CCCC1CN(c2cc(C(=O)[O-])ccc2C)C1 O=C([O-])[*:1] CCCC1CN(C1)c1cc(ccc1C)[*:1]
CCCC1CN(c2cc(C(=O)[O-])ccc2C)C1 CCC[*:1] Cc1ccc(cc1N1CC(C1)[*:1])C(=O)[O-]
CC(=O)N(C)Cc1cccc(NC(=O)Nc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)N[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)Nc2cnn(C)c2)c1 CC(=O)N(C)[*:1] Cn1cc(cn1)NC(=O)Nc1cccc(c1)C[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)Nc2cnn(C)c2)c1 CC(=O)N(C)C[*:1] Cn1cc(cn1)NC(=O)Nc1cccc(c1)[*:1]
COCC[NH+](CC(=O)N1CCCCCC1)CC(C)C CC(C)[*:1] COCC[NH+](CC(=O)N1CCCCCC1)C[*:1]
COCC[NH+](CC(=O)N1CCCCCC1)CC(C)C COCC[*:1] CC(C)C[NH+](CC(=O)N1CCCCCC1)[*:1]
COCC[NH+](CC(=O)N1CCCCCC1)CC(C)C CC(C)C[*:1] COCC[NH+](CC(=O)N1CCCCCC1)[*:1]
COCC[NH+](CC(=O)N1CCCCCC1)CC(C)C COC[*:1] CC(C)C[NH+](CC(=O)N1CCCCCC1)C[*:1]
CN(C)C(=O)C(C)(C)[NH2+]CC(=O)Nc1ccnn1C1CCCC1 CN(C)C(=O)[*:1] CC(C)([NH2+]CC(=O)Nc1ccnn1C1CCCC1)[*:1]
CN(C)C(=O)C(C)(C)[NH2+]CC(=O)Nc1ccnn1C1CCCC1 C1CCC(C1)[*:1] CN(C)C(=O)C(C)(C)[NH2+]CC(=O)Nc1ccnn1[*:1]
CC[C@H]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 NS(=O)(=O)[*:1] CC[C@H]1CCC[C@H](C1)Nc1ccc(cc1S(C)(=O)=O)[*:1]
CC[C@H]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[C@H]1CCC[C@H](C1)Nc1ccc(cc1[*:1])S(N)(=O)=O
Cc1c(CNC(=O)c2cc3ccccc3[nH]2)sc2nc(-c3cccs3)cn12 c1ccc2[nH]c(cc2c1)[*:1] Cc1c(CNC(=O)[*:1])sc2nc(cn12)-c1cccs1
Cc1c(CNC(=O)c2cc3ccccc3[nH]2)sc2nc(-c3cccs3)cn12 c1csc(c1)[*:1] Cc1c(CNC(=O)c2cc3ccccc3[nH]2)sc2nc(cn12)[*:1]
Cc1cc(=O)c(C(=O)Nc2cccc(C3SCCS3)c2)c[nH]1 C1CSC(S1)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NN1CCOCC1 FC(F)(F)[*:1] C[C@H](Sc1nc(cc(n1)[*:1])-c1ccccc1)C(=O)NN1CCOCC1
C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NN1CCOCC1 O=C(NN1CCOCC1)[*:1] C[C@H](Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)[*:1]
C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NN1CCOCC1 c1ccc(cc1)[*:1] C[C@H](Sc1nc(cc(n1)[*:1])C(F)(F)F)C(=O)NN1CCOCC1
COc1ccc(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(cs1)CCNC(=O)[*:1]
COc1ccc(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NCCc1csc(n1)[*:1]
CCC(CC)[C@H](O)CNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 CCC(CC)[C@H](O)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)NC1CCCC1
CCC(CC)[C@H](O)CNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] CCC(CC)[C@H](O)CNC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CCC(CC)[C@H](O)CNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 CCC(CC)[*:1] O=C(NC[C@@H](O)[*:1])[C@H]1CCCN(C1)C(=O)NC1CCCC1
C=CCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(C)o2)c(=O)n1CC=C C=CCNC(=O)[*:1] C=CCn1c(=O)/c(=C/c2ccc(C)o2)sc1=C(C#N)[*:1]
C=CCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(C)o2)c(=O)n1CC=C C=CC[*:1] C=CCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(C)o2)c(=O)n1[*:1]
C=CCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(C)o2)c(=O)n1CC=C Cc1ccc(o1)[*:1] C=CCNC(=O)/C(C#N)=c1\sc(=C[*:1])c(=O)n1CC=C
C=CCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(C)o2)c(=O)n1CC=C C=CC[*:1] C=CCn1c(=O)/c(=C/c2ccc(C)o2)s/c1=C(/C#N)C(=O)N[*:1]
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12 c1ccc(cc1)[*:1] C[NH+](C)C[C@@H](C[*:1])NC(=O)c1cccc2[nH]ccc12
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12 c1ccc(cc1)C[*:1] C[NH+](C)C[C@@H](NC(=O)c1cccc2[nH]ccc12)[*:1]
C[C@H](NS(C)(=O)=O)C(=O)Nc1ccc2c(c1)CCC2 CS(=O)(=O)N[*:1] C[C@H](C(=O)Nc1ccc2CCCc2c1)[*:1]
CCOc1cc2c(cc1NCc1cn3ccccc3[nH+]1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)NCc1cn2ccccc2[nH+]1)[*:1]
Cc1nc2cc(C(=O)N3CCCC[C@H]3Cn3cccn3)ccc2n1C c1cnn(c1)C[*:1] Cc1nc2cc(ccc2n1C)C(=O)N1CCCC[C@@H]1[*:1]
Cc1nc2cc(C(=O)N3CCCC[C@H]3Cn3cccn3)ccc2n1C c1cnn(c1)[*:1] Cc1nc2cc(ccc2n1C)C(=O)N1CCCC[C@H]1C[*:1]
CCC1(CC)NC(=O)N(Cc2cc(C(C)=O)ccc2OC)C1=O CC(=O)[*:1] CCC1(CC)NC(=O)N(Cc2cc(ccc2OC)[*:1])C1=O
CC[C@](C)(NCc1cc(=O)n2cccc(C)c2[nH+]1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@](C)(NCc1cc(=O)n2cccc(C)c2[nH+]1)[*:1]
CC(C)NC(=O)C[NH+]1CCC(NS(C)(=O)=O)CC1 CS(=O)(=O)N[*:1] CC(C)NC(=O)C[NH+]1CCC(CC1)[*:1]
CC(C)NC(=O)C[NH+]1CCC(NS(C)(=O)=O)CC1 CC(C)[*:1] CS(=O)(=O)NC1CC[NH+](CC1)CC(=O)N[*:1]
CC(C)NC(=O)C[NH+]1CCC(NS(C)(=O)=O)CC1 CC(C)NC(=O)[*:1] CS(=O)(=O)NC1CC[NH+](CC1)C[*:1]
CC(C)c1noc(CCCC(=O)Nc2cc(C3CCOCC3)[nH]n2)n1 C1CC(CCO1)[*:1] CC(C)c1noc(CCCC(=O)Nc2cc([nH]n2)[*:1])n1
CC(C)c1noc(CCCC(=O)Nc2cc(C3CCOCC3)[nH]n2)n1 CC(C)c1noc(n1)[*:1] O=C(CCC[*:1])Nc1cc([nH]n1)C1CCOCC1
CC(C)c1noc(CCCC(=O)Nc2cc(C3CCOCC3)[nH]n2)n1 CC(C)[*:1] O=C(CCCc1nc(no1)[*:1])Nc1cc([nH]n1)C1CCOCC1
CCN1CCN(CC(=O)N2CC[C@@H]2c2ccc(F)cc2)C(=O)C1=O Fc1ccc(cc1)[*:1] CCN1CCN(CC(=O)N2CC[C@H]2[*:1])C(=O)C1=O
COc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](C)CC2)c1 O=S(=O)(N1CCOCC1)[*:1] COc1cccc(c1)CC(=O)Nc1cc(ccc1N1CC[NH+](C)CC1)[*:1]
COc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](C)CC2)c1 COc1cccc(c1)[*:1] C[NH+]1CCN(CC1)c1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N1CCOCC1
COc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](C)CC2)c1 COc1cccc(c1)C[*:1] C[NH+]1CCN(CC1)c1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCOCC1
O=C(NCc1cccc(Cn2ccnc2)c1)N[C@@H]1CCCC[C@H]1CO c1cn(cn1)C[*:1] O=C(NCc1cccc(c1)[*:1])N[C@@H]1CCCC[C@H]1CO
O=C(NCc1cccc(Cn2ccnc2)c1)N[C@@H]1CCCC[C@H]1CO c1cn(cn1)[*:1] O=C(NCc1cccc(c1)C[*:1])N[C@@H]1CCCC[C@H]1CO
CC(=O)[C@H](C)n1c([C@@H](C)NC(=O)c2ccc(Br)cc2)nc2ccccc21 CC(=O)[C@H](C)[*:1] C[C@@H](NC(=O)c1ccc(Br)cc1)c1nc2ccccc2n1[*:1]
CC(=O)[C@H](C)n1c([C@@H](C)NC(=O)c2ccc(Br)cc2)nc2ccccc21 Brc1ccc(cc1)[*:1] CC(=O)[C@H](C)n1c(nc2ccccc21)[C@@H](C)NC(=O)[*:1]
CC(=O)[C@H](C)n1c([C@@H](C)NC(=O)c2ccc(Br)cc2)nc2ccccc21 CC(=O)[*:1] C[C@H](n1c(nc2ccccc21)[C@@H](C)NC(=O)c1ccc(Br)cc1)[*:1]
Cn1cnnc1SC[C@@H](O)c1c(F)cccc1F Cn1cnnc1[*:1] O[C@H](CS[*:1])c1c(F)cccc1F
CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOc2ncc(Cl)cc2Cl)c1 CC(=O)N[*:1] C[C@@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOc2ncc(Cl)cc2Cl)c1 Clc1cnc(c(Cl)c1)[*:1] CC(=O)Nc1cccc(c1)[C@@H](C)[NH2+]CCO[*:1]
Cc1[nH]ncc1C(=O)NCCc1nc(-c2ccccc2)c(C)s1 c1ccc(cc1)[*:1] Cc1[nH]ncc1C(=O)NCCc1nc(c(C)s1)[*:1]
Cc1[nH]ncc1C(=O)NCCc1nc(-c2ccccc2)c(C)s1 Cc1[nH]ncc1[*:1] Cc1sc(CCNC(=O)[*:1])nc1-c1ccccc1
CC(C)N1C[C@H](C(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)CC1=O CC(C)[*:1] O=C([O-])[C@@H]1C=C[C@H](C1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)N1C[C@H](C(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)CC1=O O=C([O-])[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N[C@@H]1C=C[C@@H](C1)[*:1]
Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)nc1 c1cc(ccn1)[*:1] Cc1ccc(nc1)NC(=O)C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1cccc(c1)-c1ccncc1
CCC(CC)N(CC(C)C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] CCC(CC)[*:1] CC(C)CN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])[*:1]
CCC(CC)N(CC(C)C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] CC(C)[*:1] CCC(CC)N(C[*:1])C(=O)[C@@H]1CCCC[C@@H]1[NH3+]
CCC(CC)N(CC(C)C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] CC(C)C[*:1] CCC(CC)N(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])[*:1]
COc1ncnc(N)c1CN(CC1CC1)[C@H](C)c1ccccc1 C1CC1C[*:1] COc1ncnc(N)c1CN([C@H](C)c1ccccc1)[*:1]
COc1ncnc(N)c1CN(CC1CC1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1ncnc(N)c1CN(CC1CC1)[C@H](C)[*:1]
COc1ncnc(N)c1CN(CC1CC1)[C@H](C)c1ccccc1 C1CC1[*:1] COc1ncnc(N)c1CN(C[*:1])[C@H](C)c1ccccc1
[NH3+]Cc1ccc(-n2ccc(C3CC3)n2)cc1 C1CC1[*:1] [NH3+]Cc1ccc(cc1)-n1ccc(n1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)Nc1cc(-n2cnnn2)ccc1F c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)Nc1cc(ccc1F)-n1cnnn1
C[C@@H](CCc1ccccc1)NC(=O)Nc1cc(-n2cnnn2)ccc1F c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)Nc1cc(ccc1F)-n1cnnn1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)Nc1cc(-n2cnnn2)ccc1F c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)Nc1cc(ccc1F)-n1cnnn1
C[C@@H](CCc1ccccc1)NC(=O)Nc1cc(-n2cnnn2)ccc1F c1nnnn1[*:1] C[C@@H](CCc1ccccc1)NC(=O)Nc1cc(ccc1F)[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CSCN2C(=O)c2c[nH]c3ccccc23)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(NCC[*:1])[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12
NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CSCN2C(=O)c2c[nH]c3ccccc23)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12
NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CSCN2C(=O)c2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)[C@@H]1CSCN1C(=O)[*:1]
NS(=O)(=O)CCN(CCO)Cc1cc(Br)ccc1F NS(=O)(=O)C[*:1] OCCN(Cc1cc(Br)ccc1F)C[*:1]
NS(=O)(=O)CCN(CCO)Cc1cc(Br)ccc1F OCC[*:1] NS(=O)(=O)CCN(Cc1cc(Br)ccc1F)[*:1]
NS(=O)(=O)CCN(CCO)Cc1cc(Br)ccc1F NS(=O)(=O)[*:1] OCCN(CC[*:1])Cc1cc(Br)ccc1F
NS(=O)(=O)CCN(CCO)Cc1cc(Br)ccc1F NS(=O)(=O)CC[*:1] OCCN(Cc1cc(Br)ccc1F)[*:1]
CCC(C)(C)C(=O)NCc1cccc(NC(C)C)c1 CCC(C)(C)[*:1] CC(C)Nc1cccc(c1)CNC(=O)[*:1]
CCC(C)(C)C(=O)NCc1cccc(NC(C)C)c1 CC(C)[*:1] CCC(C)(C)C(=O)NCc1cccc(c1)N[*:1]
CCC(C)(C)C(=O)NCc1cccc(NC(C)C)c1 CC(C)N[*:1] CCC(C)(C)C(=O)NCc1cccc(c1)[*:1]
C[C@@H]1CCN(C(=O)Cc2csc(-c3ccoc3)n2)C[C@@H]1O c1cc(co1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Cc1csc(n1)[*:1]
CCn1nccc1CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 c1ccc(cc1)[*:1] CCn1nccc1CNC(=O)c1cc(nc2c1c(C)nn2C[*:1])C1CC1
CCn1nccc1CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 CCn1nccc1[*:1] Cc1nn(Cc2ccccc2)c2nc(cc(C(=O)NC[*:1])c12)C1CC1
CCn1nccc1CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 c1ccc(cc1)C[*:1] CCn1nccc1CNC(=O)c1cc(nc2c1c(C)nn2[*:1])C1CC1
CCn1nccc1CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 CCn1nccc1C[*:1] Cc1nn(Cc2ccccc2)c2nc(cc(C(=O)N[*:1])c12)C1CC1
CCn1nccc1CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 C1CC1[*:1] CCn1nccc1CNC(=O)c1cc(nc2c1c(C)nn2Cc1ccccc1)[*:1]
CC(C)OC(=O)CCC(=O)Nc1cccc(F)c1 CC(C)[*:1] O=C(CCC(=O)O[*:1])Nc1cccc(F)c1
CC(C)OC(=O)CCC(=O)Nc1cccc(F)c1 CC(C)OC(=O)[*:1] O=C(CC[*:1])Nc1cccc(F)c1
O=C(Nc1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)oc2ccccc12)c1ccccc1F c1coc(c1)C[*:1] O=C(Nc1c(oc2ccccc12)C(=O)N(C[C@@H]1CCCO1)[*:1])c1ccccc1F
O=C(Nc1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)oc2ccccc12)c1ccccc1F Fc1ccccc1[*:1] O=C(c1oc2ccccc2c1NC(=O)[*:1])N(Cc1ccco1)C[C@@H]1CCCO1
O=C(Nc1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)oc2ccccc12)c1ccccc1F c1coc(c1)[*:1] O=C(Nc1c(oc2ccccc12)C(=O)N(C[C@@H]1CCCO1)C[*:1])c1ccccc1F
O=C(Nc1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)oc2ccccc12)c1ccccc1F O=C(N[*:1])c1ccccc1F O=C(c1oc2ccccc2c1[*:1])N(Cc1ccco1)C[C@@H]1CCCO1
CSCCCCNC(=O)Nc1cc(Cl)ccc1SC CSCC[*:1] CSc1ccc(Cl)cc1NC(=O)NCC[*:1]
CSCCCCNC(=O)Nc1cc(Cl)ccc1SC CSCCCC[*:1] CSc1ccc(Cl)cc1NC(=O)N[*:1]
CSCCCCNC(=O)Nc1cc(Cl)ccc1SC CSC[*:1] CSc1ccc(Cl)cc1NC(=O)NCCC[*:1]
CSCCCCNC(=O)Nc1cc(Cl)ccc1SC CSCCC[*:1] CSc1ccc(Cl)cc1NC(=O)NC[*:1]
Cc1nnc(CSC[C@@H]2CCC[C@H](C)C2)n1C1CC1 C1CC1[*:1] Cc1nnc(CSC[C@@H]2CCC[C@H](C)C2)n1[*:1]
Cc1cc(N)c(C)c(S(=O)(=O)N[C@@H](C)Cn2cccn2)c1 c1cnn(c1)C[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)N[C@@H](C)[*:1]
Cc1cc(N)c(C)c(S(=O)(=O)N[C@@H](C)Cn2cccn2)c1 c1cnn(c1)[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)N[C@@H](C)C[*:1]
COc1ccccc1[C@H]1Oc2ccccc2C2=Nc3ncnn3[C@@H](c3cccs3)[C@H]21 COc1ccccc1[*:1] c1csc(c1)[C@H]1[C@@H]2C(=Nc3ncnn31)c1ccccc1O[C@@H]2[*:1]
COc1ccccc1[C@H]1Oc2ccccc2C2=Nc3ncnn3[C@@H](c3cccs3)[C@H]21 c1csc(c1)[*:1] COc1ccccc1[C@H]1Oc2ccccc2C2=Nc3ncnn3[C@@H]([C@H]21)[*:1]
COCC[NH2+]C[C@@H](C)c1cc(F)c(Cl)cc1Cl COC[*:1] C[C@H](C[NH2+]C[*:1])c1cc(F)c(Cl)cc1Cl
COCC[NH2+]C[C@@H](C)c1cc(F)c(Cl)cc1Cl COCC[*:1] C[C@H](C[NH2+][*:1])c1cc(F)c(Cl)cc1Cl
Cc1cccc(OCc2nnc(SC[C@@H](O)c3ccccc3)o2)c1 Cc1cccc(c1)O[*:1] O[C@H](CSc1nnc(C[*:1])o1)c1ccccc1
Cc1cccc(OCc2nnc(SC[C@@H](O)c3ccccc3)o2)c1 Cc1cccc(c1)[*:1] O[C@H](CSc1nnc(CO[*:1])o1)c1ccccc1
Cc1cccc(OCc2nnc(SC[C@@H](O)c3ccccc3)o2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCc1nnc(o1)SC[C@@H](O)[*:1]
Cc1cccc(OCc2nnc(SC[C@@H](O)c3ccccc3)o2)c1 O[C@@H](c1ccccc1)[*:1] Cc1cccc(c1)OCc1nnc(o1)SC[*:1]
CC(C)[C@@H](/C([O-])=N/S(=O)(=O)C[C@H]1CCCCO1)c1ccccc1 C1CC[C@H](C[*:1])OC1 CC(C)[C@@H](/C([O-])=N/S(=O)(=O)[*:1])c1ccccc1
CC(C)[C@@H](/C([O-])=N/S(=O)(=O)C[C@H]1CCCCO1)c1ccccc1 CC(C)[*:1] O=S(=O)(C[C@H]1CCCCO1)/N=C(\[O-])[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](/C([O-])=N/S(=O)(=O)C[C@H]1CCCCO1)c1ccccc1 C1CC[C@@H](OC1)[*:1] CC(C)[C@@H](/C([O-])=N/S(=O)(=O)C[*:1])c1ccccc1
CC(C)[C@@H](/C([O-])=N/S(=O)(=O)C[C@H]1CCCCO1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](/C([O-])=N/S(=O)(=O)C[C@H]1CCCCO1)[*:1]
O=C1OCC[C@H]1Sc1nnc(Nc2ccccc2)s1 c1ccc(cc1)[*:1] O=C1OCC[C@H]1Sc1nnc(N[*:1])s1
C[NH+](C)[C@@H](CNC(=O)c1ccc2c3c(cccc13)CC2)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc2CCc3cccc1c32)[*:1]
Cn1cc[nH+]c1N1CCN(C(=O)c2cc(C#N)cs2)CC1 N#Cc1csc(c1)[*:1] Cn1cc[nH+]c1N1CCN(CC1)C(=O)[*:1]
COc1ccc(/C=N/NC(=O)COc2cccc([N+](=O)[O-])c2)cc1Br O=[N+]([O-])[*:1] COc1ccc(/C=N/NC(=O)COc2cccc(c2)[*:1])cc1Br
C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC1 C1CC1[*:1] C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)[*:1]
C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC1 C1CN(CCO1)[*:1] C[C@H]([NH2+]Cc1ccc(Br)cc1[*:1])C1CC1
Cc1ccc2c(c1)CCN2C(=O)[C@@H](c1ccccc1)N1CCCCC1=O c1ccc(cc1)[*:1] Cc1ccc2c(c1)CCN2C(=O)[C@@H](N1CCCCC1=O)[*:1]
Cc1ccc2c(c1)CCN2C(=O)[C@@H](c1ccccc1)N1CCCCC1=O O=C1CCCCN1[*:1] Cc1ccc2c(c1)CCN2C(=O)[C@@H](c1ccccc1)[*:1]
COc1cc(CNC(=O)c2cnccn2)ccc1OCc1ccncc1 c1cc(ccn1)C[*:1] COc1cc(ccc1O[*:1])CNC(=O)c1cnccn1
COc1cc(CNC(=O)c2cnccn2)ccc1OCc1ccncc1 c1cnc(cn1)[*:1] COc1cc(ccc1OCc1ccncc1)CNC(=O)[*:1]
COc1cc(CNC(=O)c2cnccn2)ccc1OCc1ccncc1 c1cc(ccn1)[*:1] COc1cc(ccc1OC[*:1])CNC(=O)c1cnccn1
COc1cc(CNC(=O)c2cnccn2)ccc1OCc1ccncc1 c1cc(ccn1)CO[*:1] COc1cc(ccc1[*:1])CNC(=O)c1cnccn1
C[C@H]1CCN(C(=O)c2ccc(NC=O)cc2)C[C@@H]1O O=CN[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1ccc(cc1)[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)N(C)Cc1nccn1C(F)F FC(F)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N(C)Cc1nccn1[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)N(C)Cc1nccn1C(F)F FC(F)n1ccnc1[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N(C)C[*:1]
CC(C)C[C@@H](CCO)CNc1ncccn1 OCC[*:1] CC(C)C[C@@H](CNc1ncccn1)[*:1]
CC(C)C[C@@H](CCO)CNc1ncccn1 CC(C)C[*:1] OCC[C@@H](CNc1ncccn1)[*:1]
CC(C)C[C@@H](CCO)CNc1ncccn1 CC(C)[*:1] OCC[C@@H](CNc1ncccn1)C[*:1]
CCOC(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 CCOC(=O)[*:1] Cc1cccc(C)c1NC(=O)COc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 Cc1cccc(C)c1[*:1] CCOC(=O)c1ccc(cc1)OCC(=O)N[*:1]
C[C@@H]1CC=C(/C=C/c2nn(CN3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)c(=S)[nH]2)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CC=C(/C=C/c2nn(CN3CCCN(CC3)S(=O)(=O)[*:1])c(=S)[nH]2)O1
Cc1cc(-c2cnc(NCCNC(=O)c3ccnn3C)nc2-c2ccc(C)s2)on1 Cn1nccc1C(=O)NC[*:1] Cc1cc(on1)-c1cnc(nc1-c1ccc(C)s1)NC[*:1]
Cc1cc(-c2cnc(NCCNC(=O)c3ccnn3C)nc2-c2ccc(C)s2)on1 Cc1cc(on1)[*:1] Cc1ccc(s1)-c1nc(ncc1[*:1])NCCNC(=O)c1ccnn1C
Cc1cc(-c2cnc(NCCNC(=O)c3ccnn3C)nc2-c2ccc(C)s2)on1 Cn1nccc1C(=O)N[*:1] Cc1cc(on1)-c1cnc(nc1-c1ccc(C)s1)NCC[*:1]
Cc1cc(-c2cnc(NCCNC(=O)c3ccnn3C)nc2-c2ccc(C)s2)on1 Cn1nccc1[*:1] Cc1cc(on1)-c1cnc(nc1-c1ccc(C)s1)NCCNC(=O)[*:1]
Cc1cc(-c2cnc(NCCNC(=O)c3ccnn3C)nc2-c2ccc(C)s2)on1 Cc1ccc(s1)[*:1] Cc1cc(on1)-c1cnc(nc1[*:1])NCCNC(=O)c1ccnn1C
CC(=O)c1ccc(N2CCN(C(=O)C[C@H](c3ccccc3C)n3cccc3)CC2)cc1 Cc1ccccc1[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)C[C@H](n1cccc1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)C[C@H](c3ccccc3C)n3cccc3)CC2)cc1 c1ccn(c1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)C[C@H](c1ccccc1C)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)C[C@H](c3ccccc3C)n3cccc3)CC2)cc1 CC(=O)[*:1] Cc1ccccc1[C@@H](CC(=O)N1CCN(CC1)c1ccc(cc1)[*:1])n1cccc1
CC(=O)c1ccc(N2CCN(C(=O)C[C@H](c3ccccc3C)n3cccc3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1ccccc1[C@@H](CC(=O)N1CCN(CC1)[*:1])n1cccc1
Cc1c(Cl)cccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1C[*:1]
Cc1c(Cl)cccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1c(Cl)cccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1c(Cl)cccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 Cc1c(Cl)cccc1[*:1] O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)N[*:1]
COc1cccc2cc(C(=O)N(Cc3ccccc3F)C[C@H]3CCCO3)c(=O)oc12 Fc1ccccc1[*:1] COc1cccc2cc(C(=O)N(C[C@H]3CCCO3)C[*:1])c(=O)oc12
COc1cccc2cc(C(=O)N(Cc3ccccc3F)C[C@H]3CCCO3)c(=O)oc12 Fc1ccccc1C[*:1] COc1cccc2cc(C(=O)N(C[C@H]3CCCO3)[*:1])c(=O)oc12
Cc1cc(C)c(-c2nnc(SCCN3CCCC3=O)o2)c(C)c1 O=C1CCCN1C[*:1] Cc1cc(C)c(-c2nnc(o2)SC[*:1])c(C)c1
Cc1cc(C)c(-c2nnc(SCCN3CCCC3=O)o2)c(C)c1 O=C1CCCN1[*:1] Cc1cc(C)c(-c2nnc(o2)SCC[*:1])c(C)c1
CCOC(=O)C1=C(CN2CCN(c3cccc[nH+]3)CC2)NC(=O)N[C@H]1c1cccs1 c1csc(c1)[*:1] CCOC(=O)C1=C(CN2CCN(CC2)c2cccc[nH+]2)NC(=O)N[C@@H]1[*:1]
CCOC(=O)C1=C(CN2CCN(c3cccc[nH+]3)CC2)NC(=O)N[C@H]1c1cccs1 CCOC(=O)[*:1] O=C1NC(CN2CCN(CC2)c2cccc[nH+]2)=C([C@@H](N1)c1cccs1)[*:1]
CN(CCCS(C)(=O)=O)C(=O)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1[*:1] CN(CCCS(C)(=O)=O)C(=O)c1ccc(C[*:1])o1
CN(CCCS(C)(=O)=O)C(=O)c1ccc(Cn2ccccc2=O)o1 CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)c1ccc(Cn2ccccc2=O)o1
CN(CCCS(C)(=O)=O)C(=O)c1ccc(Cn2ccccc2=O)o1 CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)c1ccc(Cn2ccccc2=O)o1
CN(CCCS(C)(=O)=O)C(=O)c1ccc(Cn2ccccc2=O)o1 CS(=O)(=O)CCC[*:1] CN(C(=O)c1ccc(Cn2ccccc2=O)o1)[*:1]
CN(CCCS(C)(=O)=O)C(=O)c1ccc(Cn2ccccc2=O)o1 CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)c1ccc(Cn2ccccc2=O)o1
CN(CCCS(C)(=O)=O)C(=O)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1C[*:1] CN(CCCS(C)(=O)=O)C(=O)c1ccc(o1)[*:1]
CC[C@H](C)[C@@]1([NH3+])CCC[C@H](C)[C@@H]1C CC[C@H](C)[*:1] C[C@H]1CCC[C@]([NH3+])([C@H]1C)[*:1]
CCC(CC)[NH2+][C@H](C)C(=O)NC1CCCCC1 CCC(CC)[*:1] C[C@@H]([NH2+][*:1])C(=O)NC1CCCCC1
O=C(Cc1ccsc1)N1CCC[C@@H](O)C1 c1cc(cs1)[*:1] O=C(C[*:1])N1CCC[C@@H](O)C1
CNc1ccc([N+](=O)[O-])c(-c2cc(F)ccc2OC)n1 O=[N+]([O-])[*:1] CNc1ccc(c(n1)-c1cc(F)ccc1OC)[*:1]
CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(cc1)[*:1]
CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(S(N)(=O)=O)cc1 CCOC(=O)[*:1] Cc1ccc2c(Nc3ccc(cc3)S(N)(=O)=O)c(cnc2n1)[*:1]
Cc1ccc(NC(=O)c2cc(C)n3nc(-c4ccccn4)cc3n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(nc2cc(nn12)-c1ccccn1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2cc(C)n3nc(-c4ccccn4)cc3n2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)NC(=O)c1cc(C)n2nc(cc2n1)[*:1]
CCCn1cc(NC(=O)c2ccc(-c3cnco3)cc2)cn1 c1ncc(o1)[*:1] CCCn1cc(cn1)NC(=O)c1ccc(cc1)[*:1]
CCCn1cc(NC(=O)c2ccc(-c3cnco3)cc2)cn1 CCC[*:1] O=C(Nc1cnn(c1)[*:1])c1ccc(cc1)-c1cnco1
CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 CCO[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(cc1)[*:1]
CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)CNC(=O)[C@H](C)O[*:1]
CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CC1)C(=O)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 c1ccc(cc1)C[*:1] CC[C@H](NC(=O)N1CCN(CC1)C(=O)[C@@H]1CCCO1)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)N1CCN(CC1)C(=O)[C@@H]1CCCO1
CN(C)C(=O)c1ccccc1NC(=S)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] CN(C)C(=O)c1ccccc1NC(=S)NC(=O)[*:1]
CN(C)C(=O)c1ccccc1NC(=S)NC(=O)C1CCCCC1 CN(C)C(=O)[*:1] O=C(NC(=S)Nc1ccccc1[*:1])C1CCCCC1
CCc1cc(CNC(=O)C[C@H](c2ccccc2)C(C)C)on1 c1ccc(cc1)[*:1] CCc1cc(CNC(=O)C[C@H](C(C)C)[*:1])on1
CCc1cc(CNC(=O)C[C@H](c2ccccc2)C(C)C)on1 CC(C)[*:1] CCc1cc(CNC(=O)C[C@H](c2ccccc2)[*:1])on1
CCc1cc(CNC(=O)C[C@H](c2ccccc2)C(C)C)on1 CCc1cc(on1)[*:1] CC(C)[C@H](CC(=O)NC[*:1])c1ccccc1
Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO)[*:1]
C[C@H](Sc1nnnn1C1CC1)C(=O)N(C)Cc1nc2ccccc2o1 C1CC1[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)N(C)Cc1nc2ccccc2o1
C[C@H](Sc1nnnn1C1CC1)C(=O)N(C)Cc1nc2ccccc2o1 C1CC1n1nnnc1[*:1] C[C@H](S[*:1])C(=O)N(C)Cc1nc2ccccc2o1
OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccccc1 c1ccc(cc1)[*:1] OCC[C@H]1CN(CCN1Cc1ccccc1)Cc1c[nH]nc1[*:1]
OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccccc1 c1ccc(cc1)[*:1] OCC[C@H]1CN(CCN1C[*:1])Cc1c[nH]nc1-c1ccccc1
OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccccc1 c1ccc(cc1)C[*:1] OCC[C@H]1CN(CCN1[*:1])Cc1c[nH]nc1-c1ccccc1
OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccccc1 OCC[*:1] c1ccc(cc1)CN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1[*:1]
Cc1cccc(C)c1NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21 Cc1cccc(C)c1[*:1] CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)N[*:1]
Cc1cccc(C)c1NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21 CC(C)(C)[*:1] Cc1cccc(C)c1NC(=O)CN1C(=O)COc2cc(ccc21)[*:1]
O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccccc1Br Brc1ccccc1[*:1] O=c1ccc(nn1C[*:1])-c1ccc(F)cc1
O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccccc1Br Fc1ccc(cc1)[*:1] O=c1ccc(nn1Cc1ccccc1Br)[*:1]
CSc1ccccc1C(=O)NC[C@H](O)C1CCCCC1 C1CCC(CC1)[*:1] CSc1ccccc1C(=O)NC[C@H](O)[*:1]
FC(F)n1ccc(-c2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)n1 Clc1ccccc1C[*:1] FC(F)n1ccc(n1)-c1nnc(Nc2ccn(n2)[*:1])s1
FC(F)n1ccc(-c2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)n1 FC(F)[*:1] Clc1ccccc1Cn1ccc(n1)Nc1nnc(s1)-c1ccn(n1)[*:1]
FC(F)n1ccc(-c2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)n1 Clc1ccccc1[*:1] FC(F)n1ccc(n1)-c1nnc(Nc2ccn(C[*:1])n2)s1
FC(F)n1ccc(-c2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)n1 FC(F)n1ccc(n1)[*:1] Clc1ccccc1Cn1ccc(n1)Nc1nnc(s1)[*:1]
Cc1ccc(C(=O)NCCCn2ncc3ccccc32)s1 Cc1ccc(s1)[*:1] O=C(NCCCn1ncc2ccccc21)[*:1]
CCOC(=O)c1cnc(OCC)nc1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1cnc(nc1[*:1])OCC
CCOC(=O)c1cnc(OCC)nc1-c1ccccc1 CCOC(=O)[*:1] CCOc1ncc(c(n1)-c1ccccc1)[*:1]
CCOC(=O)c1cnc(OCC)nc1-c1ccccc1 CCO[*:1] CCOC(=O)c1cnc(nc1-c1ccccc1)[*:1]
CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(c3cc[nH+]cc3)CC1)C2=O CC(C)(C)[*:1] O=C1NC2(CCC(CC2)[*:1])C(=O)N1CN1CCN(CC1)c1cc[nH+]cc1
CC(C)OCCNC(=O)c1cc(N2CCSCC2)nc2ccccc12 C1CN(CCS1)[*:1] CC(C)OCCNC(=O)c1cc(nc2ccccc12)[*:1]
CC(C)OCCNC(=O)c1cc(N2CCSCC2)nc2ccccc12 CC(C)OCC[*:1] O=C(N[*:1])c1cc(nc2ccccc12)N1CCSCC1
CC(C)OCCNC(=O)c1cc(N2CCSCC2)nc2ccccc12 CC(C)O[*:1] O=C(NCC[*:1])c1cc(nc2ccccc12)N1CCSCC1
CC(C)OCCNC(=O)c1cc(N2CCSCC2)nc2ccccc12 CC(C)[*:1] O=C(NCCO[*:1])c1cc(nc2ccccc12)N1CCSCC1
CC(C)OCCNC(=O)c1cc(N2CCSCC2)nc2ccccc12 CC(C)OC[*:1] O=C(NC[*:1])c1cc(nc2ccccc12)N1CCSCC1
Cc1c(C[C@@H](C#N)C(N)=O)cnn1C NC(=O)[*:1] Cc1c(cnn1C)C[C@@H](C#N)[*:1]
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)c1nnc2n1CCCCC2 FC(F)(F)O[*:1] N#C/C(=C\c1ccc(cc1)[*:1])c1nnc2CCCCCn21
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)c1nnc2n1CCCCC2 FC(F)(F)[*:1] N#C/C(=C\c1ccc(cc1)O[*:1])c1nnc2CCCCCn21
Cc1ccc(CNC(=O)C(=O)NCC[C@@H](O)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC[C@@H](O)C1CC1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)C(=O)NCC[C@@H](O)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)CNC(=O)C(=O)NCC[C@@H](O)[*:1]
O=C([O-])c1nn(Cc2ccc(O)cc2)c2ccccc12 O=C([O-])[*:1] Oc1ccc(cc1)Cn1nc(c2ccccc21)[*:1]
Fc1cc(CSCc2nc(-c3ccco3)no2)c2ncccc2c1 c1coc(c1)[*:1] Fc1cc(CSCc2nc(no2)[*:1])c2ncccc2c1
CC(C)CO[C@@H]1CCN(C(=O)c2ccc(-n3ccnn3)cc2)C1 CC(C)[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CC[C@H](C1)OC[*:1]
CC(C)CO[C@@H]1CCN(C(=O)c2ccc(-n3ccnn3)cc2)C1 CC(C)CO[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CC[C@H](C1)[*:1]
CC(C)CO[C@@H]1CCN(C(=O)c2ccc(-n3ccnn3)cc2)C1 CC(C)C[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CC[C@H](C1)O[*:1]
CC(C)CO[C@@H]1CCN(C(=O)c2ccc(-n3ccnn3)cc2)C1 c1cn(nn1)[*:1] CC(C)CO[C@@H]1CCN(C1)C(=O)c1ccc(cc1)[*:1]
CC1(C)CN(C(=O)c2ccccc2-c2ccccc2C#N)CC[S@]1=O N#Cc1ccccc1[*:1] CC1(C)CN(CC[S@]1=O)C(=O)c1ccccc1[*:1]
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1C(=O)[O-] FC(F)(F)[*:1] O=C(Nc1cc(cc(c1)[*:1])C(F)(F)F)[C@H]1CCCC[C@H]1C(=O)[O-]
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H]1CCCC[C@@H]1[*:1]
CC[C@H](C)NC(=O)CN1CCN(c2ccc(OC)cc2)C1=O CC[C@H](C)[*:1] COc1ccc(cc1)N1CCN(CC(=O)N[*:1])C1=O
CC[C@H](C)NC(=O)CN1CCN(c2ccc(OC)cc2)C1=O CC[C@H](C)NC(=O)[*:1] COc1ccc(cc1)N1CCN(C[*:1])C1=O
C[C@@H](CCO)N(Cc1ccccc1)c1ncc([N+](=O)[O-])c(N)n1 c1ccc(cc1)[*:1] C[C@@H](CCO)N(C[*:1])c1ncc(c(N)n1)[N+](=O)[O-]
C[C@@H](CCO)N(Cc1ccccc1)c1ncc([N+](=O)[O-])c(N)n1 OCC[*:1] C[C@@H](N(Cc1ccccc1)c1ncc(c(N)n1)[N+](=O)[O-])[*:1]
C[C@@H](CCO)N(Cc1ccccc1)c1ncc([N+](=O)[O-])c(N)n1 c1ccc(cc1)C[*:1] C[C@@H](CCO)N(c1ncc(c(N)n1)[N+](=O)[O-])[*:1]
C[C@@H](CCO)N(Cc1ccccc1)c1ncc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] C[C@@H](CCO)N(Cc1ccccc1)c1ncc(c(N)n1)[*:1]
C=C(C)[C@H]([NH3+])CS[C@@H](C)CC C=C(C)[*:1] CC[C@H](C)SC[C@@H]([NH3+])[*:1]
CNC(=O)CSc1cc(N)ccc1Cl CNC(=O)[*:1] Nc1ccc(Cl)c(c1)SC[*:1]
CCN(Cc1ccoc1)S(=O)(=O)c1c(C)c(C)cc(C)c1C c1cc(co1)C[*:1] CCN(S(=O)(=O)c1c(C)c(C)cc(C)c1C)[*:1]
CCN(Cc1ccoc1)S(=O)(=O)c1c(C)c(C)cc(C)c1C c1cc(co1)[*:1] CCN(C[*:1])S(=O)(=O)c1c(C)c(C)cc(C)c1C
Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1I)CSC2 Ic1ccccc1[*:1] Cc1ccccc1-n1nc2CSCc2c1NC(=O)[*:1]
Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1I)CSC2 Cc1ccccc1[*:1] O=C(Nc1c2CSCc2nn1[*:1])c1ccccc1I
CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@@H](C)n1nccc1C)C2 CC(=O)N1CCCC[C@H]1[*:1] Cc1ccnn1[C@H](C)C(=O)N1CCc2nc(ncc2C1)[*:1]
CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@@H](C)n1nccc1C)C2 Cc1ccnn1[*:1] CC(=O)N1CCCC[C@@H]1c1ncc2CN(CCc2n1)C(=O)[C@@H](C)[*:1]
Nc1ccc(F)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Nc1ccc(F)c(c1)S(=O)(=O)NC[*:1]
Nc1ccc(F)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] Nc1ccc(F)c(c1)S(=O)(=O)N[*:1]
CC(C)(C)c1ccc(NC(=O)C(Cl)Cl)c(Br)c1 ClC(Cl)[*:1] CC(C)(C)c1ccc(NC(=O)[*:1])c(Br)c1
CC(C)(C)c1ccc(NC(=O)C(Cl)Cl)c(Br)c1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1Br)[*:1])C(Cl)Cl
c1nnc(C2CC2)n1CC[NH2+]C(C1CC1)C1CC1 C1CC1[*:1] c1nnc(C2CC2)n1CC[NH2+]C(C1CC1)[*:1]
c1nnc(C2CC2)n1CC[NH2+]C(C1CC1)C1CC1 C1CC1[*:1] c1nnc(n1CC[NH2+]C(C1CC1)C1CC1)[*:1]
O=C(NCc1ccccc1Cl)c1ccc(-c2noc(C3CC3)n2)cc1 C1CC1[*:1] O=C(NCc1ccccc1Cl)c1ccc(cc1)-c1noc(n1)[*:1]
O=C(NCc1ccccc1Cl)c1ccc(-c2noc(C3CC3)n2)cc1 Clc1ccccc1[*:1] O=C(NC[*:1])c1ccc(cc1)-c1noc(n1)C1CC1
O=C(NCc1ccccc1Cl)c1ccc(-c2noc(C3CC3)n2)cc1 C1CC1c1nc(no1)[*:1] O=C(NCc1ccccc1Cl)c1ccc(cc1)[*:1]
O=C(NCc1ccccc1Cl)c1ccc(-c2noc(C3CC3)n2)cc1 Clc1ccccc1C[*:1] O=C(N[*:1])c1ccc(cc1)-c1noc(n1)C1CC1
CC[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)CCN1C(=O)COc2ccccc21)[*:1]
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(N)=O CC(C)(C)[*:1] CC(C)[C@H](NC(=O)O[*:1])C(=O)N1CCC[C@@H]1C(N)=O
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(N)=O CC(C)[*:1] CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)[*:1]
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(N)=O NC(=O)[*:1] CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1[*:1]
O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)[*:1]
O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 OCc1ccc(o1)[*:1] O=C(NC(=S)Nc1ccc(c(Cl)c1)[*:1])c1ccc(Cl)c(Cl)c1
Cc1csc(C2(NCC(=O)N(CCC#N)c3ccccc3)CCCC2)n1 Cc1csc(n1)[*:1] N#CCCN(C(=O)CNC1(CCCC1)[*:1])c1ccccc1
Cc1csc(C2(NCC(=O)N(CCC#N)c3ccccc3)CCCC2)n1 N#CC[*:1] Cc1csc(n1)C1(CCCC1)NCC(=O)N(C[*:1])c1ccccc1
Cc1csc(C2(NCC(=O)N(CCC#N)c3ccccc3)CCCC2)n1 N#CCC[*:1] Cc1csc(n1)C1(CCCC1)NCC(=O)N(c1ccccc1)[*:1]
Cc1csc(C2(NCC(=O)N(CCC#N)c3ccccc3)CCCC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)C1(CCCC1)NCC(=O)N(CCC#N)[*:1]
C=C(Cl)COc1ccc(C(=O)/C=C/c2ccc(C(=O)NC)cc2)cc1 C=C(Cl)[*:1] CNC(=O)c1ccc(/C=C/C(=O)c2ccc(cc2)OC[*:1])cc1
C=C(Cl)COc1ccc(C(=O)/C=C/c2ccc(C(=O)NC)cc2)cc1 C=C(Cl)CO[*:1] CNC(=O)c1ccc(/C=C/C(=O)c2ccc(cc2)[*:1])cc1
C=C(Cl)COc1ccc(C(=O)/C=C/c2ccc(C(=O)NC)cc2)cc1 C=C(Cl)C[*:1] CNC(=O)c1ccc(/C=C/C(=O)c2ccc(cc2)O[*:1])cc1
C=C(Cl)COc1ccc(C(=O)/C=C/c2ccc(C(=O)NC)cc2)cc1 CNC(=O)[*:1] C=C(Cl)COc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)[*:1]
COc1cc([C@H](C)NC(=O)Nc2c[nH]nc2-c2ccccn2)ccc1F c1ccc(nc1)[*:1] COc1cc(ccc1F)[C@H](C)NC(=O)Nc1c[nH]nc1[*:1]
COc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1-c1ccc(CO)o1 CC(C)O[*:1] COc1cc(ccc1-c1ccc(CO)o1)NC(=O)c1cccc(c1)[*:1]
COc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1-c1ccc(CO)o1 OCc1ccc(o1)[*:1] COc1cc(ccc1[*:1])NC(=O)c1cccc(c1)OC(C)C
COc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1-c1ccc(CO)o1 CC(C)[*:1] COc1cc(ccc1-c1ccc(CO)o1)NC(=O)c1cccc(c1)O[*:1]
CC(C)c1nc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)no1 C1CC1[*:1] CC(C)c1nc(no1)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CC(C)c1nc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)no1 CC(C)[*:1] O=C1C[C@@H](CN1CC1CC1)C(=O)N1CCC[C@@H]1c1noc(n1)[*:1]
CC(C)c1nc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)no1 C1CC1C[*:1] CC(C)c1nc(no1)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)c1nc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)no1 CC(C)c1nc(no1)[*:1] O=C1C[C@@H](CN1CC1CC1)C(=O)N1CCC[C@@H]1[*:1]
C[C@@H](Cc1cccs1)N(C)C(=[NH2+])NC(C)(C)C CC(C)(C)[*:1] C[C@@H](Cc1cccs1)N(C)C(=[NH2+])N[*:1]
C[C@@H](Cc1cccs1)N(C)C(=[NH2+])NC(C)(C)C c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=[NH2+])NC(C)(C)C
Cc1ccc(-c2nc(COC(=O)c3cccc(Cl)c3N)no2)cc1 Cc1ccc(cc1)[*:1] Nc1c(Cl)cccc1C(=O)OCc1noc(n1)[*:1]
Cc1ccc(-c2nc(COC(=O)c3cccc(Cl)c3N)no2)cc1 Nc1c(Cl)cccc1[*:1] Cc1ccc(cc1)-c1nc(COC(=O)[*:1])no1
C=CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(C)cc1 C=CC[*:1] Cc1ccc(cc1)C(=O)N/C(=C\c1ccc2OCOc2c1)C(=O)O[*:1]
C=CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] C=CCOC(=O)/C(=C/c1ccc2OCOc2c1)NC(=O)[*:1]
C=CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(C)cc1 c1cc2OCOc2cc1[*:1] C=CCOC(=O)C(=C[*:1])NC(=O)c1ccc(C)cc1
C=CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(C)cc1 C=CCOC(=O)[*:1] Cc1ccc(cc1)C(=O)N/C(=C\c1ccc2OCOc2c1)[*:1]
CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccc(C)cc2[nH]1 CSC[*:1] Cc1ccc2nc([nH]c2c1)[C@@H](C[*:1])NC(=O)c1ccccc1
CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccc(C)cc2[nH]1 CSCC[*:1] Cc1ccc2nc([nH]c2c1)[C@H](NC(=O)c1ccccc1)[*:1]
CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccc(C)cc2[nH]1 c1ccc(cc1)[*:1] CSCC[C@@H](NC(=O)[*:1])c1nc2ccc(C)cc2[nH]1
Cc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H](NC(=O)CC(C)C)C(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H](NC(=O)CC(C)C)C(C)C CC(C)CC(=O)N[*:1] Cc1ccc(cc1NC(=O)[C@H](C(C)C)[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H](NC(=O)CC(C)C)C(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)[C@H](NC(=O)CC(C)C)[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H](NC(=O)CC(C)C)C(C)C CC(C)C[*:1] Cc1ccc(cc1NC(=O)[C@H](NC(=O)[*:1])C(C)C)C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H](NC(=O)CC(C)C)C(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)[C@H](NC(=O)C[*:1])C(C)C)C(=O)N(C)C
CCOC(=O)[C@@H]1CC[C@H](NC(=O)Nc2c(C)nn(CC)c2C)C1 CCOC(=O)[*:1] CCn1nc(C)c(NC(=O)N[C@H]2CC[C@H](C2)[*:1])c1C
Cc1cc(NCc2cn(C)nc2-c2cccnc2)ccc1F c1cncc(c1)[*:1] Cc1cc(ccc1F)NCc1cn(C)nc1[*:1]
CC(=O)Nc1cnc(N(C)CCc2cn[nH]c2)c(C(=O)[O-])c1 CC(=O)N[*:1] CN(CCc1cn[nH]c1)c1ncc(cc1C(=O)[O-])[*:1]
CC(=O)Nc1cnc(N(C)CCc2cn[nH]c2)c(C(=O)[O-])c1 c1n[nH]cc1CC[*:1] CC(=O)Nc1cnc(c(c1)C(=O)[O-])N(C)[*:1]
CC(=O)Nc1cnc(N(C)CCc2cn[nH]c2)c(C(=O)[O-])c1 O=C([O-])[*:1] CC(=O)Nc1cnc(c(c1)[*:1])N(C)CCc1cn[nH]c1
CC(=O)Nc1cnc(N(C)CCc2cn[nH]c2)c(C(=O)[O-])c1 c1n[nH]cc1[*:1] CC(=O)Nc1cnc(c(c1)C(=O)[O-])N(C)CC[*:1]
CC(=O)Nc1cnc(N(C)CCc2cn[nH]c2)c(C(=O)[O-])c1 c1n[nH]cc1C[*:1] CC(=O)Nc1cnc(c(c1)C(=O)[O-])N(C)C[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)/C=C/c1cccc2ccccc12 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=S)NC(=O)/C=C/c1cccc2ccccc12)[*:1]
CC(C)(Cn1cc(Br)cn1)C(=O)[O-] O=C([O-])[*:1] CC(C)(Cn1cc(Br)cn1)[*:1]
CCOC(=O)c1ccc(Nc2nc(-c3ccccc3)no2)cc1 CCOC(=O)[*:1] c1ccc(cc1)-c1noc(n1)Nc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(Nc2nc(-c3ccccc3)no2)cc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)Nc1nc(no1)[*:1]
CC(C)c1cc(CNC(=O)[C@H]2CCS(=O)(=O)C2)on1 CC(C)[*:1] O=C(NCc1cc(no1)[*:1])[C@H]1CCS(=O)(=O)C1
CNC(=O)c1cccc(NCc2cn(C)nc2-c2ccccc2)c1 c1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)NCc1cn(C)nc1[*:1]
CNC(=O)c1cccc(NCc2cn(C)nc2-c2ccccc2)c1 CNC(=O)[*:1] Cn1cc(CNc2cccc(c2)[*:1])c(n1)-c1ccccc1
Cc1nn(CC[C@H]2CCC[C@@]2(CO)[NH2+]C2CC2)c(C)c1Br C1CC1[*:1] Cc1nn(CC[C@H]2CCC[C@@]2(CO)[NH2+][*:1])c(C)c1Br
Cc1csc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)n1 Cc1csc(n1)[*:1] O=C(N[*:1])N1CCC[C@@H](C1)c1nc2ccccc2o1
C[C@@H](O)c1ccn(CCc2cccs2)c1 C[C@@H](O)[*:1] c1csc(c1)CCn1ccc(c1)[*:1]
C[C@@H](O)c1ccn(CCc2cccs2)c1 c1csc(c1)[*:1] C[C@@H](O)c1ccn(c1)CC[*:1]
CC(C)n1c(CCNC(=O)[C@@H]2CN(C)CCO2)n[nH]c1=S CN1CCO[C@@H](C1)[*:1] CC(C)n1c(CCNC(=O)[*:1])n[nH]c1=S
CC(C)n1c(CCNC(=O)[C@@H]2CN(C)CCO2)n[nH]c1=S CC(C)[*:1] CN1CCO[C@@H](C1)C(=O)NCCc1n[nH]c(=S)n1[*:1]
N#Cc1ccc(N2CCC(C(=O)NNC(=O)c3cc(-c4cccnc4)nc4ccccc34)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(NNC(=O)C1CCN(CC1)[*:1])c1cc(nc2ccccc12)-c1cccnc1
N#Cc1ccc(N2CCC(C(=O)NNC(=O)c3cc(-c4cccnc4)nc4ccccc34)CC2)nc1 c1cncc(c1)[*:1] N#Cc1ccc(nc1)N1CCC(CC1)C(=O)NNC(=O)c1cc(nc2ccccc12)[*:1]
COCCOC(=O)c1ccc(CS(C)(=O)=O)cc1 COC[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)OC[*:1]
COCCOC(=O)c1ccc(CS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] COCCOC(=O)c1ccc(cc1)[*:1]
COCCOC(=O)c1ccc(CS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] COCCOC(=O)c1ccc(cc1)C[*:1]
COCCOC(=O)c1ccc(CS(C)(=O)=O)cc1 COCC[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)O[*:1]
CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)Nc1ccccc1C Cc1ccccc1NC(=O)[*:1] CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2C[*:1]
CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)Nc1ccccc1C Cc1ccccc1[*:1] CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)N[*:1]
CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)Nc1ccccc1C c1ccc(cc1)[*:1] CCC(=O)Nc1ccc2c(c1)c(=O)n(n2CC(=O)Nc1ccccc1C)[*:1]
CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)Nc1ccccc1C CCC(=O)N[*:1] Cc1ccccc1NC(=O)Cn1c2ccc(cc2c(=O)n1-c1ccccc1)[*:1]
O=C(Cn1c(NCCO)nc2ccccc21)c1ccc(Br)cc1 OCCN[*:1] O=C(Cn1c(nc2ccccc21)[*:1])c1ccc(Br)cc1
O=C(Cn1c(NCCO)nc2ccccc21)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Cn1c(nc2ccccc21)NCCO)[*:1]
O=C(Cn1c(NCCO)nc2ccccc21)c1ccc(Br)cc1 OCC[*:1] O=C(Cn1c(nc2ccccc21)N[*:1])c1ccc(Br)cc1
c1csc(-c2ncc(C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)s2)c1 c1csc(c1)[*:1] c1cnc2[nH]cc(c2c1)C1CC[NH+](CC1)Cc1cnc(s1)[*:1]
C=C(C)CSc1ncnc2c1oc1nc(C)cc(C)c12 C=C(C)CS[*:1] Cc1cc(C)c2c(n1)oc1c(ncnc12)[*:1]
C=C(C)CSc1ncnc2c1oc1nc(C)cc(C)c12 C=C(C)[*:1] Cc1cc(C)c2c(n1)oc1c(ncnc12)SC[*:1]
C=C(C)CSc1ncnc2c1oc1nc(C)cc(C)c12 C=C(C)C[*:1] Cc1cc(C)c2c(n1)oc1c(ncnc12)S[*:1]
C/C=C/C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 CC=C[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)[*:1]
C/C=C/C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 COC(=O)[*:1] C/C=C/C(=O)N1C[C@@H](C)[C@H](C1)[*:1]
CC[NH2+][C@@H](c1ccccc1Cl)C(OC)OC COC(OC)[*:1] CC[NH2+][C@@H](c1ccccc1Cl)[*:1]
CN(CCC#N)C(=O)c1cc(C#N)cs1 N#CCC[*:1] CN(C(=O)c1cc(C#N)cs1)[*:1]
CN(CCC#N)C(=O)c1cc(C#N)cs1 N#CC[*:1] CN(C[*:1])C(=O)c1cc(C#N)cs1
O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 c1cc2OCCOc2cc1[*:1] O=C(C=C[*:1])Nc1ccc(cc1)S(=O)(=O)NCc1ccco1
O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] O=C(/C=C/c1ccc2OCCOc2c1)Nc1ccc(cc1)S(=O)(=O)N[*:1]
O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 O=S(=O)(NCc1ccco1)[*:1] O=C(/C=C/c1ccc2OCCOc2c1)Nc1ccc(cc1)[*:1]
O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] O=C(/C=C/c1ccc2OCCOc2c1)Nc1ccc(cc1)S(=O)(=O)NC[*:1]
Cc1ccc(-c2csc(NC(=O)CCN3C(=O)COc4ccccc43)n2)cc1 Cc1ccc(cc1)[*:1] O=C(CCN1C(=O)COc2ccccc21)Nc1nc(cs1)[*:1]
COc1cccc(-c2noc([C@@H](C)NC(=O)N[C@@H]3CCCC3(C)C)n2)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)N[C@@H]1CCCC1(C)C)c1nc(no1)[*:1]
COc1cccc(-c2cc(C(=O)NCC#CCOc3cccc4cccnc34)[nH]n2)c1 COc1cccc(c1)[*:1] O=C(NCC#CCOc1cccc2cccnc12)c1cc(n[nH]1)[*:1]
COc1cccc(-c2cc(C(=O)NCC#CCOc3cccc4cccnc34)[nH]n2)c1 c1cnc2c(cccc2c1)[*:1] COc1cccc(c1)-c1cc([nH]n1)C(=O)NCC#CCO[*:1]
O=C([O-])CSc1nnc(-c2cccc(C(F)(F)F)c2F)o1 O=C([O-])CS[*:1] Fc1c(cccc1C(F)(F)F)-c1nnc(o1)[*:1]
O=C([O-])CSc1nnc(-c2cccc(C(F)(F)F)c2F)o1 FC(F)(F)[*:1] O=C([O-])CSc1nnc(o1)-c1cccc(c1F)[*:1]
O=C([O-])CSc1nnc(-c2cccc(C(F)(F)F)c2F)o1 O=C([O-])[*:1] Fc1c(cccc1C(F)(F)F)-c1nnc(o1)SC[*:1]
O=C([O-])CSc1nnc(-c2cccc(C(F)(F)F)c2F)o1 O=C([O-])C[*:1] Fc1c(cccc1C(F)(F)F)-c1nnc(o1)S[*:1]
CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[*:1]
CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C1CCOCC1 c1csc(c1)[*:1] CN(C(=O)NC[C@@H]([NH+](C)C)[*:1])C1CCOCC1
C[NH+](C)CCNC(=O)CC1CCN(C(=O)[C@@H]2C=c3ccccc3=[NH+]2)CC1 C[NH+](C)CCNC(=O)[*:1] O=C([C@@H]1C=c2ccccc2=[NH+]1)N1CCC(CC1)C[*:1]
CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(F)c(F)c1 CCOC(=O)[C@H](C)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(F)c(F)c1
CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(F)c(F)c1 CCOC(=O)[*:1] C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)[*:1]
CC(C)C[C@@H](C[NH3+])CN(C)Cc1csc(Br)c1 CC(C)C[*:1] CN(Cc1csc(Br)c1)C[C@H](C[NH3+])[*:1]
CC(C)C[C@@H](C[NH3+])CN(C)Cc1csc(Br)c1 CC(C)[*:1] CN(Cc1csc(Br)c1)C[C@H](C[NH3+])C[*:1]
CC(C)[C@@H]1C[C@@](O)(Cc2cccc(O)c2)CCO1 CC(C)[*:1] Oc1cccc(c1)C[C@@]1(O)CCO[C@@H](C1)[*:1]
C[C@](O)(CNC(=O)c1cc(F)cc(F)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)c1cc(F)cc(F)c1)[*:1]
CC(=O)c1cccc(NC(=O)C[C@H](C)n2cncn2)c1 c1ncn(n1)[*:1] CC(=O)c1cccc(c1)NC(=O)C[C@H](C)[*:1]
CC(=O)c1cccc(NC(=O)C[C@H](C)n2cncn2)c1 CC(=O)[*:1] C[C@@H](CC(=O)Nc1cccc(c1)[*:1])n1cncn1
O=c1ccccn1Cc1ccc(/C([O-])=N/S(=O)(=O)c2cccnc2)o1 O=c1ccccn1[*:1] O=S(=O)(/N=C(\[O-])c1ccc(C[*:1])o1)c1cccnc1
O=c1ccccn1Cc1ccc(/C([O-])=N/S(=O)(=O)c2cccnc2)o1 c1cncc(c1)[*:1] O=c1ccccn1Cc1ccc(o1)/C([O-])=N/S(=O)(=O)[*:1]
O=c1ccccn1Cc1ccc(/C([O-])=N/S(=O)(=O)c2cccnc2)o1 O=c1ccccn1C[*:1] O=S(=O)(/N=C(\[O-])c1ccc(o1)[*:1])c1cccnc1
Cc1ccc([N+](=O)[O-])c(NCc2nc(C)c(C)s2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)NCc1nc(C)c(C)s1)[*:1]
O=C(NCCCn1cccn1)[C@H]1CCCCN1C(=O)c1ccccc1 c1cnn(c1)CCC[*:1] O=C(N[*:1])[C@H]1CCCCN1C(=O)c1ccccc1
O=C(NCCCn1cccn1)[C@H]1CCCCN1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCn1cccn1)[C@H]1CCCCN1C(=O)[*:1]
O=C(NCCCn1cccn1)[C@H]1CCCCN1C(=O)c1ccccc1 c1cnn(c1)[*:1] O=C(NCCC[*:1])[C@H]1CCCCN1C(=O)c1ccccc1
O=C(NCCCn1cccn1)[C@H]1CCCCN1C(=O)c1ccccc1 c1cnn(c1)CC[*:1] O=C(NC[*:1])[C@H]1CCCCN1C(=O)c1ccccc1
O=C(NCCCn1cccn1)[C@H]1CCCCN1C(=O)c1ccccc1 c1cnn(c1)C[*:1] O=C(NCC[*:1])[C@H]1CCCCN1C(=O)c1ccccc1
C[C@@H](CNc1ncccc1C#N)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNc1ncccc1C#N)O[*:1]
O=C([C@H]1SCCc2ccccc21)N1CCCN(c2nccs2)CC1 c1csc(n1)[*:1] O=C([C@H]1SCCc2ccccc21)N1CCCN(CC1)[*:1]
COc1ccccc1CN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 COc1ccccc1[*:1] O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N(C[*:1])C1CC1
COc1ccccc1CN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[*:1]
COc1ccccc1CN(C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1 COc1ccccc1C[*:1] O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N(C1CC1)[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)CSc1n[nH]c(N)n1 Nc1nc(n[nH]1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CS[*:1]
COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCSC)c2)c1 CSCCC(=O)N[*:1] COC(=O)c1cccc(C#Cc2cccc(c2)[*:1])c1
COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCSC)c2)c1 CSC[*:1] COC(=O)c1cccc(C#Cc2cccc(c2)NC(=O)C[*:1])c1
COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCSC)c2)c1 COC(=O)[*:1] CSCCC(=O)Nc1cccc(C#Cc2cccc(c2)[*:1])c1
COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCSC)c2)c1 CSCC[*:1] COC(=O)c1cccc(C#Cc2cccc(c2)NC(=O)[*:1])c1
CCN(CC)C(=O)Cn1c(CNC(=O)c2cccnc2)nc2ccccc21 c1cncc(c1)[*:1] CCN(CC)C(=O)Cn1c(CNC(=O)[*:1])nc2ccccc21
CCN(CC)C(=O)Cn1c(CNC(=O)c2cccnc2)nc2ccccc21 CCN(CC)C(=O)[*:1] O=C(NCc1nc2ccccc2n1C[*:1])c1cccnc1
CCN(CC)C(=O)Cn1c(CNC(=O)c2cccnc2)nc2ccccc21 CCN(CC)C(=O)C[*:1] O=C(NCc1nc2ccccc2n1[*:1])c1cccnc1
CCN(CC)C(=O)Cn1c(CNC(=O)c2cccnc2)nc2ccccc21 O=C(N[*:1])c1cccnc1 CCN(CC)C(=O)Cn1c(C[*:1])nc2ccccc21
CCc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc4nccnc4c3)sc2c1 c1ccc(C[*:1])nc1 CCc1ccc2nc(sc2c1)N(C(=O)c1ccc2nccnc2c1)[*:1]
CCc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc4nccnc4c3)sc2c1 c1ccc(nc1)[*:1] CCc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1ccc2nccnc2c1
CCc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc4nccnc4c3)sc2c1 c1cnc2cc(ccc2n1)[*:1] CCc1ccc2nc(sc2c1)N(Cc1ccccn1)C(=O)[*:1]
CCC[C@@]1(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)CC[NH2+]C1 CCC[*:1] C[C@H]1[C@H](CCN1C(=O)[C@]1(CC[NH2+]C1)[*:1])C(=O)[O-]
CCC[C@@]1(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)CC[NH2+]C1 O=C([O-])[*:1] CCC[C@]1(CC[NH2+]C1)C(=O)N1CC[C@H]([C@@H]1C)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cc(C)nn2CC)C1 CCO[*:1] CCn1nc(C)cc1C(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)c2cc(C)nn2CC)C1 CCOC[*:1] CCn1nc(C)cc1C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(C[NH+](Cc2c[nH]nc2-c2cccnc2)C2CC2)cc1C c1cncc(c1)[*:1] Cc1ccc(cc1C)C[NH+](Cc1c[nH]nc1[*:1])C1CC1
Cc1ccc(C[NH+](Cc2c[nH]nc2-c2cccnc2)C2CC2)cc1C Cc1ccc(cc1C)[*:1] c1cncc(c1)-c1n[nH]cc1C[NH+](C[*:1])C1CC1
Cc1ccc(C[NH+](Cc2c[nH]nc2-c2cccnc2)C2CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)C[NH+](Cc1c[nH]nc1-c1cccnc1)[*:1]
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CCC[C@@]1(NC(=O)N(CC(=O)N(C)[*:1])C1=O)c1ccccc1
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CCC[C@@]1(NC(=O)N(CC(=O)N(C)C[*:1])C1=O)c1ccccc1
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CCC[C@@]1(NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O)[*:1]
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O CCC[*:1] CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C1=O)(c1ccccc1)[*:1]
CC(C)(C)OC(=O)NCCCNc1ncnc2[nH]cnc12 CC(C)(C)[*:1] O=C(NCCCNc1ncnc2[nH]cnc12)O[*:1]
CCc1cc(Nc2cccc(C(=O)[O-])c2)nc(C(C)C)n1 CC(C)[*:1] CCc1cc(nc(n1)[*:1])Nc1cccc(c1)C(=O)[O-]
CCc1cc(Nc2cccc(C(=O)[O-])c2)nc(C(C)C)n1 O=C([O-])[*:1] CCc1cc(nc(n1)C(C)C)Nc1cccc(c1)[*:1]
Clc1ccccc1C=NNc1ncc(-c2ccc3c(c2)OCCCO3)s1 Clc1ccccc1[*:1] C(=NNc1ncc(s1)-c1ccc2OCCCOc2c1)[*:1]
O=C(Nc1ccc(-c2ccno2)cc1)c1cc(C2CC2)nc2onc(C3CC3)c12 c1cc(on1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(nc2onc(c12)C1CC1)C1CC1
O=C(Nc1ccc(-c2ccno2)cc1)c1cc(C2CC2)nc2onc(C3CC3)c12 C1CC1[*:1] O=C(Nc1ccc(cc1)-c1ccno1)c1cc(nc2onc(c12)[*:1])C1CC1
O=C(Nc1ccc(-c2ccno2)cc1)c1cc(C2CC2)nc2onc(C3CC3)c12 C1CC1[*:1] O=C(Nc1ccc(cc1)-c1ccno1)c1cc(nc2onc(c12)C1CC1)[*:1]
COc1cccc(CN2CCN(c3ccc4nncn4n3)[C@@H](C)C2)c1 COc1cccc(c1)[*:1] C[C@H]1CN(CCN1c1ccc2nncn2n1)C[*:1]
Nc1nc(C(F)(F)C(F)(F)C(F)(F)F)n[nH]1 FC(F)(F)[*:1] Nc1nc(n[nH]1)C(F)(F)C(F)(F)[*:1]
CCCc1nnc2sc(-c3ccc(N(C)C)cc3)nn12 CN(C)[*:1] CCCc1nnc2sc(nn12)-c1ccc(cc1)[*:1]
CCCc1nnc2sc(-c3ccc(N(C)C)cc3)nn12 CCC[*:1] CN(C)c1ccc(cc1)-c1nn2c(nnc2s1)[*:1]
O=S(=O)(c1cccnc1)N1CC(c2nc(-c3ccncc3)no2)C1 c1cc(ccn1)[*:1] O=S(=O)(c1cccnc1)N1CC(C1)c1nc(no1)[*:1]
O=S(=O)(c1cccnc1)N1CC(c2nc(-c3ccncc3)no2)C1 c1cncc(c1)[*:1] O=S(=O)(N1CC(C1)c1nc(no1)-c1ccncc1)[*:1]
O=C(NCCc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(NCCc1nc2ccccc2s1)c1ccc(cc1)[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ccc2cc(C#N)ccc2n1 CC(C)(C)[*:1] N#Cc1ccc2nc(ccc2c1)N1CCC[C@@H]1CNC(=O)O[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ccc2cc(C#N)ccc2n1 CC(C)(C)OC(=O)N[*:1] N#Cc1ccc2nc(ccc2c1)N1CCC[C@@H]1C[*:1]
CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2F)C1=O Fc1ccccc1C[*:1] CN1C(=O)S/C(=C\c2cc(Br)ccc2O[*:1])C1=O
CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2F)C1=O Fc1ccccc1[*:1] CN1C(=O)S/C(=C\c2cc(Br)ccc2OC[*:1])C1=O
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)c2snnc2C)cc1 Cc1ccc(cc1)[*:1] Cc1nnsc1C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)c2snnc2C)cc1 Cc1nnsc1C(=O)N[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CC[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)c2snnc2C)cc1 Cc1nnsc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CCNC(=O)[*:1]
Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4ccc5occc5c4)C3)nc12 c1cc2cc(ccc2o1)[*:1] Cc1cccc2[nH]c(nc12)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)c1nnnn1CC(=O)N1CC[C@@H](C)[C@@H](O)C1 CC(C)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Cn1nnnc1[*:1]
N#CCCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3 N#CCCS[*:1] O=c1c2c3CCCc3sc2nc(n1C[C@@H]1CCCO1)[*:1]
N#CCCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3 N#CC[*:1] O=c1c2c3CCCc3sc2nc(SC[*:1])n1C[C@@H]1CCCO1
N#CCCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3 N#CCC[*:1] O=c1c2c3CCCc3sc2nc(S[*:1])n1C[C@@H]1CCCO1
N#CCCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3 C1CO[C@@H](C1)C[*:1] N#CCCSc1nc2sc3CCCc3c2c(=O)n1[*:1]
N#CCCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3 C1CO[C@@H](C1)[*:1] N#CCCSc1nc2sc3CCCc3c2c(=O)n1C[*:1]
C[C@@](O)(Cc1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] C[C@@](O)(C[*:1])c1nc2ccccc2[nH]1
CCCCNC(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 FC(F)(F)[*:1] CCCCNC(=O)NNC(=O)Cn1ccc(n1)[*:1]
CCCCNC(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 CCCC[*:1] O=C(Cn1ccc(n1)C(F)(F)F)NNC(=O)N[*:1]
CCCCNC(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1 CCC[*:1] O=C(Cn1ccc(n1)C(F)(F)F)NNC(=O)NC[*:1]
CCC[C@H]1CN(C(=O)C(=O)c2c(C)nn(C)c2C)CCO1 CCC[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@H](C1)[*:1]
COc1cccc(NC(=O)C(=O)N2CCN(Cc3cc(C)no3)CC2)c1 Cc1cc(C[*:1])on1 COc1cccc(c1)NC(=O)C(=O)N1CCN(CC1)[*:1]
COc1cccc(NC(=O)C(=O)N2CCN(Cc3cc(C)no3)CC2)c1 COc1cccc(c1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)C(=O)N[*:1])on1
COc1cccc(NC(=O)C(=O)N2CCN(Cc3cc(C)no3)CC2)c1 Cc1cc(on1)[*:1] COc1cccc(c1)NC(=O)C(=O)N1CCN(CC1)C[*:1]
CCN(Cc1cnc(N2CCOCC2)nc1)[C@@H](C)c1ccc(F)cc1 C1CN(CCO1)[*:1] CCN(Cc1cnc(nc1)[*:1])[C@@H](C)c1ccc(F)cc1
CCN(Cc1cnc(N2CCOCC2)nc1)[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(Cc1cnc(nc1)N1CCOCC1)[C@@H](C)[*:1]
CC(C)(C)c1csc(C[C@@](C)(O)CC[NH3+])n1 CC(C)(C)[*:1] C[C@](O)(CC[NH3+])Cc1nc(cs1)[*:1]
CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)cn1 c1ccc(cc1)[*:1] CC(C)n1cc(cn1)[C@H](C)[NH2+][C@@H](C)[C@H](O)C[*:1]
CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)cn1 CC(C)[*:1] C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cnn(c1)[*:1]
CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)cn1 c1ccc(cc1)C[*:1] CC(C)n1cc(cn1)[C@H](C)[NH2+][C@@H](C)[C@H](O)[*:1]
CCc1nnnn1-c1ccccc1NC(=O)COc1ccc(Cl)cc1 CCc1nnnn1[*:1] O=C(COc1ccc(Cl)cc1)Nc1ccccc1[*:1]
CCc1nnnn1-c1ccccc1NC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] CCc1nnnn1-c1ccccc1NC(=O)C[*:1]
CCc1nnnn1-c1ccccc1NC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nnnn1-c1ccccc1NC(=O)CO[*:1]
CCOCCNC(=O)COc1ccc(F)c(F)c1 CCOCC[*:1] O=C(COc1ccc(F)c(F)c1)N[*:1]
CCOCCNC(=O)COc1ccc(F)c(F)c1 CCO[*:1] O=C(COc1ccc(F)c(F)c1)NCC[*:1]
CCOCCNC(=O)COc1ccc(F)c(F)c1 CCOC[*:1] O=C(COc1ccc(F)c(F)c1)NC[*:1]
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cc4ccccc4n3C)C2)CC1 COc1ccccc1[*:1] Cn1c(cc2ccccc21)C(=O)N1CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cc4ccccc4n3C)C2)CC1 Cn1c(cc2ccccc21)[*:1] COc1ccccc1N1CC[NH+](CC1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 CC(=O)N[*:1] O=C(CCc1ncc(o1)-c1ccc(F)cc1F)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 Fc1ccc(c(F)c1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CCc1ncc(o1)[*:1]
CC(C)(O)CNC(=O)/C=C/c1sc2ccccc2c1Cl CC(C)(O)C[*:1] O=C(/C=C/c1sc2ccccc2c1Cl)N[*:1]
CC(C)(O)CNC(=O)/C=C/c1sc2ccccc2c1Cl CC(C)(O)[*:1] O=C(/C=C/c1sc2ccccc2c1Cl)NC[*:1]
Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H](C[NH3+])O2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)[*:1]
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(C)=O)c3)nc2c1 CC[C@H](C)[*:1] CC(=O)NC(=S)Nc1cccc(c1)-c1nc2cc(ccc2o1)[*:1]
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(C)=O)c3)nc2c1 CC(=O)NC(=S)N[*:1] CC[C@H](C)c1ccc2oc(nc2c1)-c1cccc(c1)[*:1]
O=C(NCCC(=O)N1CCCC1)c1nn(-c2ccccc2F)cc1O O=C(C[*:1])N1CCCC1 O=C(NC[*:1])c1nn(cc1O)-c1ccccc1F
O=C(NCCC(=O)N1CCCC1)c1nn(-c2ccccc2F)cc1O Fc1ccccc1[*:1] O=C(NCCC(=O)N1CCCC1)c1nn(cc1O)[*:1]
O=C(NCCC(=O)N1CCCC1)c1nn(-c2ccccc2F)cc1O O=C(N1CCCC1)[*:1] O=C(NCC[*:1])c1nn(cc1O)-c1ccccc1F
Cc1cc(Nc2ccc(C(=O)[O-])cc2)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])Nc1ccc(cc1)C(=O)[O-]
Cc1cc(Nc2ccc(C(=O)[O-])cc2)nc(C(C)C)n1 O=C([O-])[*:1] Cc1cc(nc(n1)C(C)C)Nc1ccc(cc1)[*:1]
C=CCc1cc(C(=O)N[C@@H](C)c2ncc(C)o2)cc(OC)c1OC Cc1cnc(o1)[*:1] C=CCc1cc(cc(OC)c1OC)C(=O)N[C@@H](C)[*:1]
C=CCc1cc(C(=O)N[C@@H](C)c2ncc(C)o2)cc(OC)c1OC C=CC[*:1] COc1cc(cc(c1OC)[*:1])C(=O)N[C@@H](C)c1ncc(C)o1
O=C(NCCCn1cc[nH+]c1)N[C@@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] O=C(NCCCn1cc[nH+]c1)N[C@@H]1CCC[C@H](C1)[*:1]
CNS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1OC c1coc(c1)C[*:1] CNS(=O)(=O)c1cc(ccc1OC)C(=O)N[*:1]
CNS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1OC CNS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)NCc1ccco1
CNS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1OC c1coc(c1)[*:1] CNS(=O)(=O)c1cc(ccc1OC)C(=O)NC[*:1]
Cn1cc(/C=C/C(=O)c2cc3ccccc3o2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(/C=C/C(=O)c2cc3ccccc3o2)c(n1)[*:1]
C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1nc(C(F)(F)F)c2cnccc21 FC(F)(F)[*:1] C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1nc(c2cnccc21)[*:1]
C[C@H](CCO)CNc1ncnc2cccc(F)c12 C[C@H](CCO)C[*:1] Fc1cccc2ncnc(N[*:1])c12
C[C@H](CCO)CNc1ncnc2cccc(F)c12 C[C@H](CCO)[*:1] Fc1cccc2ncnc(NC[*:1])c12
C[C@H](CCO)CNc1ncnc2cccc(F)c12 OCC[*:1] C[C@H](CNc1ncnc2cccc(F)c12)[*:1]
O=C(/C=C/c1ccsc1)c1sccc1Br c1cc(cs1)[*:1] O=C(C=C[*:1])c1sccc1Br
N#C[C@@H]1C(=O)Nc2nc(NCc3ccco3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 c1coc(c1)[*:1] N#C[C@@H]1C(=O)Nc2nc(NC[*:1])[nH]c(=O)c2[C@H]1c1ccc2OCCOc2c1
N#C[C@@H]1C(=O)Nc2nc(NCc3ccco3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 c1coc(c1)CN[*:1] N#C[C@@H]1C(=O)Nc2nc([nH]c(=O)c2[C@H]1c1ccc2OCCOc2c1)[*:1]
N#C[C@@H]1C(=O)Nc2nc(NCc3ccco3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 c1coc(c1)C[*:1] N#C[C@@H]1C(=O)Nc2nc(N[*:1])[nH]c(=O)c2[C@H]1c1ccc2OCCOc2c1
N#C[C@@H]1C(=O)Nc2nc(NCc3ccco3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] N#C[C@@H]1C(=O)Nc2nc(NCc3ccco3)[nH]c(=O)c2[C@@H]1[*:1]
CCOC[C@H]1CCCN(C(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)C1 Cc1nnnn1[*:1] CCOC[C@H]1CCCN(C1)C(=O)C(=Cc1ccc(F)cc1)[*:1]
CCOC[C@H]1CCCN(C(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)C1 CCOC[*:1] Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)C1 Fc1ccc(cc1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)C(=C[*:1])n1nnnc1C
CCOC[C@H]1CCCN(C(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)C1 CCO[*:1] Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](C1)C[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1NC(=O)c1ccccc1C CC(=O)Nc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)c1ccccc1C)S(=O)(=O)N[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1NC(=O)c1ccccc1C Cc1ccccc1[*:1] COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)Nc1ccc(cc1)NC(C)=O
COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1NC(=O)c1ccccc1C Cc1ccccc1C(=O)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(cc1)NC(C)=O
COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1NC(=O)c1ccccc1C CC(=O)N[*:1] COc1ccc(cc1NC(=O)c1ccccc1C)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1occc1C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 Cc1occc1[*:1] C[C@H](NC(=O)[*:1])c1noc(n1)-c1ccc(Cl)cc1
Cc1occc1C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1occc1C(=O)N[C@@H](C)c1noc(n1)[*:1]
CC(C)[C@@H](O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1 c1ccc(cc1)CC[*:1] CC(C)[C@@H](O)C(=O)N1CCc2nnc(n2CC1)[*:1]
CC(C)[C@@H](O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1 CC(C)[*:1] O=C([C@H](O)[*:1])N1CCc2nnc(CCc3ccccc3)n2CC1
CC(C)[C@@H](O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1 c1ccc(cc1)[*:1] CC(C)[C@@H](O)C(=O)N1CCc2nnc(CC[*:1])n2CC1
CC(C)[C@@H](O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1 c1ccc(cc1)C[*:1] CC(C)[C@@H](O)C(=O)N1CCc2nnc(C[*:1])n2CC1
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@H]1CCCC[C@@H]1C(F)(F)F FC(F)(F)[*:1] O=C(Cn1cc(cc(Cl)c1=O)C(F)(F)F)N[C@H]1CCCC[C@H]1[*:1]
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N[C@H]1CCCC[C@@H]1C(F)(F)F FC(F)(F)[*:1] O=C(Cn1cc(cc(Cl)c1=O)[*:1])N[C@H]1CCCC[C@@H]1C(F)(F)F
Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ncoc3C)c2)s1 Cc1ocnc1[*:1] Cc1nnc(s1)-c1cccc(c1)NC(=O)[C@@H]1CCCCN1C(=O)[*:1]
Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)c3ncoc3C)c2)s1 Cc1nnc(s1)[*:1] Cc1ocnc1C(=O)N1CCCC[C@H]1C(=O)Nc1cccc(c1)[*:1]
COCCOCCN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C COCC[*:1] C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1CCO[*:1]
COCCOCCN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C COC[*:1] C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1CCOC[*:1]
COCCOCCN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C COCCO[*:1] C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1CC[*:1]
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cccc(c1)[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](C)CC1)n2Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](C)CC1)n2[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](C)CC1)n2Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](C)CC1)n2C[*:1]
C[C@@](NC(=O)CCOC1CC[NH2+]CC1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@](NC(=O)CCOC1CC[NH2+]CC1)(C(F)(F)F)[*:1]
C[C@@](NC(=O)CCOC1CC[NH2+]CC1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@](NC(=O)CCOC1CC[NH2+]CC1)(C(=O)[O-])[*:1]
CN(C)C(=O)c1cccc(S(=O)(=O)N(C)c2cccnc2N(C)C)c1 CN(C)[*:1] CN(C)C(=O)c1cccc(c1)S(=O)(=O)N(C)c1cccnc1[*:1]
CN(C)C(=O)c1cccc(S(=O)(=O)N(C)c2cccnc2N(C)C)c1 CN(C)C(=O)[*:1] CN(C)c1ncccc1N(C)S(=O)(=O)c1cccc(c1)[*:1]
COCC(=O)Nc1c(C(=O)N2CCN(Cc3ccccc3)CC2)oc2ccccc12 c1ccc(cc1)[*:1] COCC(=O)Nc1c(oc2ccccc12)C(=O)N1CCN(CC1)C[*:1]
COCC(=O)Nc1c(C(=O)N2CCN(Cc3ccccc3)CC2)oc2ccccc12 c1ccc(cc1)C[*:1] COCC(=O)Nc1c(oc2ccccc12)C(=O)N1CCN(CC1)[*:1]
COCC(=O)Nc1c(C(=O)N2CCN(Cc3ccccc3)CC2)oc2ccccc12 COCC(=O)N[*:1] O=C(c1oc2ccccc2c1[*:1])N1CCN(CC1)Cc1ccccc1
COCC(=O)Nc1c(C(=O)N2CCN(Cc3ccccc3)CC2)oc2ccccc12 COC[*:1] O=C(c1oc2ccccc2c1NC(=O)[*:1])N1CCN(CC1)Cc1ccccc1
COc1ccc(N2C[C@@H](NC(=O)NCc3ccccc3OC)CC2=O)cc1 COc1ccccc1[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)NC(=O)NC[*:1]
COc1ccc(N2C[C@@H](NC(=O)NCc3ccccc3OC)CC2=O)cc1 COc1ccc(cc1)[*:1] COc1ccccc1CNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@@H](NC(=O)NCc3ccccc3OC)CC2=O)cc1 COc1ccccc1C[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)NC(=O)N[*:1]
Cc1noc(C)c1[C@H](C)C(=O)OC1CCC1 C1CC(C1)[*:1] Cc1noc(C)c1[C@H](C)C(=O)O[*:1]
C[NH2+][C@]1(C(N)=O)CCC[C@@H](OCCCOC)C1 NC(=O)[*:1] C[NH2+][C@@]1(CCC[C@H](C1)OCCCOC)[*:1]
C[NH2+][C@]1(C(N)=O)CCC[C@@H](OCCCOC)C1 COCC[*:1] C[NH2+][C@@]1(CCC[C@H](C1)OC[*:1])C(N)=O
C[NH2+][C@]1(C(N)=O)CCC[C@@H](OCCCOC)C1 COC[*:1] C[NH2+][C@@]1(CCC[C@H](C1)OCC[*:1])C(N)=O
C[NH2+][C@]1(C(N)=O)CCC[C@@H](OCCCOC)C1 COCCC[*:1] C[NH2+][C@@]1(CCC[C@H](C1)O[*:1])C(N)=O
COCCN(C1CC1)S(=O)(=O)c1ccc(CO)cc1F C1CC1[*:1] COCCN(S(=O)(=O)c1ccc(cc1F)CO)[*:1]
COCCN(C1CC1)S(=O)(=O)c1ccc(CO)cc1F COC[*:1] O=S(=O)(c1ccc(cc1F)CO)N(C[*:1])C1CC1
COCCN(C1CC1)S(=O)(=O)c1ccc(CO)cc1F COCC[*:1] O=S(=O)(c1ccc(cc1F)CO)N(C1CC1)[*:1]
Cn1cc[nH+]c1[C@H](Nc1cccc(F)c1C#N)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1cc[nH+]c1[C@H](Nc1cccc(F)c1C#N)[*:1]
O=C(Nc1nncs1)c1ncccc1OCC(F)(F)F c1nnc(s1)[*:1] O=C(N[*:1])c1ncccc1OCC(F)(F)F
O=C(Nc1nncs1)c1ncccc1OCC(F)(F)F FC(F)(F)[*:1] O=C(Nc1nncs1)c1ncccc1OC[*:1]
O=C(Nc1nncs1)c1ncccc1OCC(F)(F)F FC(F)(F)CO[*:1] O=C(Nc1nncs1)c1ncccc1[*:1]
O=C(Nc1nncs1)c1ncccc1OCC(F)(F)F FC(F)(F)C[*:1] O=C(Nc1nncs1)c1ncccc1O[*:1]
N#Cc1cccnc1N1CCC(CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 N#Cc1cccnc1[*:1] O=C(NCc1ccc2OCOc2c1)C(=O)NCC1CCN(CC1)[*:1]
N#Cc1cccnc1N1CCC(CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] N#Cc1cccnc1N1CCC(CC1)CNC(=O)C(=O)NC[*:1]
N#Cc1cccnc1N1CCC(CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] N#Cc1cccnc1N1CCC(CC1)CNC(=O)C(=O)N[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1cc2cccn2cn1 c1cncc(c1)C[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1cc2cccn2cn1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1cc2cccn2cn1 c1cncc(c1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)NC[*:1])c1cc2cccn2cn1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1cc2cccn2cn1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)NCc1cccnc1)c1cc2cccn2cn1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1cc2cccn2cn1 O=C(NCc1cccnc1)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1cc2cccn2cn1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1cc2cccn2cn1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)NCc1cccnc1)[*:1])c1cc2cccn2cn1
Cc1nnccc1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F Cc1nnccc1[*:1] O=C(N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)[*:1]
CC(C)CCc1nc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cs1 CC(C)CC[*:1] Fc1ccc(cc1)C1(CCOCC1)[NH2+]Cc1csc(n1)[*:1]
CC(C)CCc1nc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cs1 CC(C)[*:1] Fc1ccc(cc1)C1(CCOCC1)[NH2+]Cc1csc(CC[*:1])n1
CC(C)CCc1nc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cs1 Fc1ccc(cc1)[*:1] CC(C)CCc1nc(cs1)C[NH2+]C1(CCOCC1)[*:1]
CC(C)CCc1nc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cs1 CC(C)C[*:1] Fc1ccc(cc1)C1(CCOCC1)[NH2+]Cc1csc(C[*:1])n1
CCCc1cc(=O)[nH]c(N2CCC(C)CC2)n1 CCC[*:1] CC1CCN(CC1)c1nc(cc(=O)[nH]1)[*:1]
CC/[NH+]=C(/NCCO)NCc1ccc2c(c1)OCCO2 OCC[*:1] CC/[NH+]=C(\NCc1ccc2OCCOc2c1)N[*:1]
O=C(c1ncn(-c2ccccc2)n1)N(CC(F)(F)F)c1ccccn1 FC(F)(F)[*:1] O=C(c1ncn(n1)-c1ccccc1)N(C[*:1])c1ccccn1
O=C(c1ncn(-c2ccccc2)n1)N(CC(F)(F)F)c1ccccn1 FC(F)(F)C[*:1] O=C(c1ncn(n1)-c1ccccc1)N(c1ccccn1)[*:1]
O=C(c1ncn(-c2ccccc2)n1)N(CC(F)(F)F)c1ccccn1 c1ccc(nc1)[*:1] O=C(c1ncn(n1)-c1ccccc1)N(CC(F)(F)F)[*:1]
O=C(c1ncn(-c2ccccc2)n1)N(CC(F)(F)F)c1ccccn1 c1ccc(cc1)[*:1] O=C(c1ncn(n1)[*:1])N(CC(F)(F)F)c1ccccn1
CC(C)c1nc2cc(NC(=O)C(=O)NC[C@H]3CCC[C@H](C)C3)ccc2o1 CC(C)[*:1] C[C@H]1CCC[C@H](CNC(=O)C(=O)Nc2ccc3oc(nc3c2)[*:1])C1
C[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1OCCC(N)=O NC(=O)CCO[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1OCCC(N)=O NC(=O)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1OCC[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1OCCC(N)=O NC(=O)C[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1OC[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1OCCC(N)=O NC(=O)CC[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1O[*:1]
CC1(C)C(Cn2nnnc2-c2ccc(Br)c(N)c2)C1(C)C CC1(C)C(C1(C)C)[*:1] Nc1cc(ccc1Br)-c1nnnn1C[*:1]
Cc1c(C(=O)NO[C@H]2CCCCO2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)NO[C@H]1CCCCO1
CC(=O)N1CCCN(C(=O)Cc2csc(C(C)C)n2)CC1 CC(C)[*:1] CC(=O)N1CCCN(CC1)C(=O)Cc1csc(n1)[*:1]
COc1cc(CNc2ccc(N3CCCC3=O)cn2)ccc1F O=C1CCCN1[*:1] COc1cc(ccc1F)CNc1ccc(cn1)[*:1]
O=C(NCCCN1CCOCC1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 C1CN(CCO1)CC[*:1] O=C(NC[*:1])c1ccc2nc3[nH]c4ccccc4c3nc2c1
O=C(NCCCN1CCOCC1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 C(CN1CCOCC1)C[*:1] O=C(N[*:1])c1ccc2nc3[nH]c4ccccc4c3nc2c1
O=C(NCCCN1CCOCC1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])c1ccc2nc3[nH]c4ccccc4c3nc2c1
O=C(NCCCN1CCOCC1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])c1ccc2nc3[nH]c4ccccc4c3nc2c1
O=C([O-])[C@H]1CC(=O)N(CCC2=c3ccccc3=[NH+]C2)C1 O=C([O-])[*:1] O=C1C[C@@H](CN1CCC1C[NH+]=c2ccccc2=1)[*:1]
CC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O Cc1ccccc1C[*:1] CC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(C1=O)[*:1]
CC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O Brc1ccc(cc1)[*:1] CC[C@@H]1S/C(=N/N=C[*:1])N(Cc2ccccc2C)C1=O
CC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O Cc1ccccc1[*:1] CC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(C[*:1])C1=O
Cc1cccc(-n2c(SCC(N)=O)nc3sc(C)c(C)c3c2=O)c1C NC(=O)[*:1] Cc1cccc(c1C)-n1c(nc2sc(C)c(C)c2c1=O)SC[*:1]
Cc1cccc(-n2c(SCC(N)=O)nc3sc(C)c(C)c3c2=O)c1C NC(=O)C[*:1] Cc1cccc(c1C)-n1c(nc2sc(C)c(C)c2c1=O)S[*:1]
Cc1cccc(-n2c(SCC(N)=O)nc3sc(C)c(C)c3c2=O)c1C NC(=O)CS[*:1] Cc1cccc(c1C)-n1c(nc2sc(C)c(C)c2c1=O)[*:1]
Cc1cccc(-n2c(SCC(N)=O)nc3sc(C)c(C)c3c2=O)c1C Cc1cccc(c1C)[*:1] Cc1sc2nc(SCC(N)=O)n(c(=O)c2c1C)[*:1]
Clc1ccc(CNc2ccc(-c3nnco3)cc2)o1 c1nnc(o1)[*:1] Clc1ccc(CNc2ccc(cc2)[*:1])o1
Clc1ccc(CNc2ccc(-c3nnco3)cc2)o1 Clc1ccc(o1)[*:1] c1nnc(o1)-c1ccc(cc1)NC[*:1]
Cc1cc(C(=O)N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1cccc2[nH]c(nc12)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)NC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC(N)=O)c2=O)CC1 NC(=O)C[*:1] CC(C)NC(=O)C1CCC(CC1)Cn1c(=O)c2sccc2n(c1=O)[*:1]
CC(C)NC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC(N)=O)c2=O)CC1 NC(=O)[*:1] CC(C)NC(=O)C1CCC(CC1)Cn1c(=O)c2sccc2n(C[*:1])c1=O
CC(C)NC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC(N)=O)c2=O)CC1 CC(C)NC(=O)[*:1] NC(=O)Cn1c(=O)n(CC2CCC(CC2)[*:1])c(=O)c2sccc21
CC(C)NC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC(N)=O)c2=O)CC1 CC(C)[*:1] NC(=O)Cn1c(=O)n(CC2CCC(CC2)C(=O)N[*:1])c(=O)c2sccc21
C[C@@H](C(=O)N(C)CC(=O)NCc1ccccc1-n1ccnc1)n1cccn1 c1cn(cn1)[*:1] C[C@@H](C(=O)N(C)CC(=O)NCc1ccccc1[*:1])n1cccn1
C[C@@H](C(=O)N(C)CC(=O)NCc1ccccc1-n1ccnc1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N(C)CC(=O)NCc1ccccc1-n1ccnc1)[*:1]
CC(=O)N(C)[C@H](c1ccc2c(c1)OCO2)c1nnnn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N(C)[C@H](c1ccc2OCOc2c1)c1nnnn1[*:1]
CC(=O)N(C)[C@H](c1ccc2c(c1)OCO2)c1nnnn1-c1ccc(C)cc1 c1cc2OCOc2cc1[*:1] CC(=O)N(C)[C@H](c1nnnn1-c1ccc(C)cc1)[*:1]
CC(=O)N(C)[C@H](c1ccc2c(c1)OCO2)c1nnnn1-c1ccc(C)cc1 CC(=O)N(C)[*:1] Cc1ccc(cc1)-n1nnnc1[C@@H](c1ccc2OCOc2c1)[*:1]
CC(C)(C)OC(=O)c1ccc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 CC(C)(C)OC(=O)[*:1] CC1(C)[C@@H](NC(=O)c2ccc(cc2)[*:1])[C@H]2CCO[C@@H]21
CC(C)(C)OC(=O)c1ccc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 CC(C)(C)[*:1] CC1(C)[C@@H](NC(=O)c2ccc(cc2)C(=O)O[*:1])[C@H]2CCO[C@@H]21
COc1ccccc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccccc1NC(=O)C[C@@H](O)[*:1]
COCCC1(CNC(=O)NC2(C)Cc3ccccc3C2)CCCC1 COCC[*:1] CC1(Cc2ccccc2C1)NC(=O)NCC1(CCCC1)[*:1]
COCCC1(CNC(=O)NC2(C)Cc3ccccc3C2)CCCC1 COC[*:1] CC1(Cc2ccccc2C1)NC(=O)NCC1(CCCC1)C[*:1]
Cc1cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c(C)n1-c1cccnc1 c1cncc(c1)[*:1] Cc1cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c(C)n1[*:1]
CCc1cnc(CCNC(=O)N2CCC[C@@H]2c2ccccc2)s1 c1ccc(cc1)[*:1] CCc1cnc(CCNC(=O)N2CCC[C@H]2[*:1])s1
CCc1cnc(CCNC(=O)N2CCC[C@@H]2c2ccccc2)s1 CCc1cnc(s1)[*:1] O=C(NCC[*:1])N1CCC[C@@H]1c1ccccc1
CCN(C)c1ccc(C(F)(F)F)cc1C#N CCN(C)[*:1] N#Cc1cc(ccc1[*:1])C(F)(F)F
CCN(C)c1ccc(C(F)(F)F)cc1C#N FC(F)(F)[*:1] CCN(C)c1ccc(cc1C#N)[*:1]
CC[NH+](CCc1cccs1)CC(=O)Nc1c(F)cccc1F c1csc(c1)C[*:1] CC[NH+](CC(=O)Nc1c(F)cccc1F)C[*:1]
CC[NH+](CCc1cccs1)CC(=O)Nc1c(F)cccc1F c1csc(c1)[*:1] CC[NH+](CC[*:1])CC(=O)Nc1c(F)cccc1F
CC[NH+](CCc1cccs1)CC(=O)Nc1c(F)cccc1F c1csc(c1)CC[*:1] CC[NH+](CC(=O)Nc1c(F)cccc1F)[*:1]
Cc1cc(C)cc(OCCn2c([C@H](C)NC(=O)[C@H]3CCCO3)nc3ccccc32)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1CCO[*:1]
Cc1cc(C)cc(OCCn2c([C@H](C)NC(=O)[C@H]3CCCO3)nc3ccccc32)c1 Cc1cc(C)cc(c1)OC[*:1] C[C@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1C[*:1]
Cc1cc(C)cc(OCCn2c([C@H](C)NC(=O)[C@H]3CCCO3)nc3ccccc32)c1 Cc1cc(C)cc(c1)O[*:1] C[C@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1CC[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)Cc1ccccc1[N+](=O)[O-] CC(C)(C)[*:1] O=C([O-])CN(C(=O)Cc1ccccc1[N+](=O)[O-])[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)Cc1ccccc1[N+](=O)[O-] O=C([O-])C[*:1] CC(C)(C)N(C(=O)Cc1ccccc1[N+](=O)[O-])[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)Cc1ccccc1[N+](=O)[O-] O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)Cc1ccccc1[N+](=O)[O-]
CC(C)(C)N(CC(=O)[O-])C(=O)Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)N(CC(=O)[O-])C(=O)Cc1ccccc1[*:1]
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NC1CC1 C1CC1[*:1] O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N[*:1]
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NC1CC1 O=C(NC1CC1)[*:1] c1ccc(cc1)-n1c(nnc1-c1ccncc1)SC[*:1]
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NC1CC1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])NC1CC1
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NC1CC1 c1cc(ccn1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])NC1CC1
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NC1CC1 O=C(C[*:1])NC1CC1 c1ccc(cc1)-n1c(nnc1-c1ccncc1)S[*:1]
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NC1CC1 O=C(CS[*:1])NC1CC1 c1ccc(cc1)-n1c(nnc1[*:1])-c1ccncc1
CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)[*:1]
COc1cc(-c2[nH+]c3cc(C)ccn3c2Nc2ccccc2)ccc1O c1ccc(cc1)N[*:1] COc1cc(ccc1O)-c1[nH+]c2cc(C)ccn2c1[*:1]
COc1cc(-c2[nH+]c3cc(C)ccn3c2Nc2ccccc2)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)-c1[nH+]c2cc(C)ccn2c1N[*:1]
CC1=C(C)C[C@@H](C(=O)N[C@H](C)C(C)(C)C)[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC1C[C@H]([C@@H](CC=1C)C(=O)N[C@H](C)C(C)(C)C)[*:1]
CC1=C(C)C[C@@H](C(=O)N[C@H](C)C(C)(C)C)[C@@H](C(=O)[O-])C1 C[C@H](C(C)(C)C)[*:1] CC1C[C@H](C(=O)[O-])[C@@H](CC=1C)C(=O)N[*:1]
CC1=C(C)C[C@@H](C(=O)N[C@H](C)C(C)(C)C)[C@@H](C(=O)[O-])C1 CC(C)(C)[*:1] CC1C[C@H](C(=O)[O-])[C@@H](CC=1C)C(=O)N[C@H](C)[*:1]
CCC[NH2+]C[C@@H]1CCCO[C@H]1c1ccc2c(c1)CCO2 CCC[*:1] c1cc2OCCc2cc1[C@@H]1OCCC[C@H]1C[NH2+][*:1]
CN1C(=O)CCc2cc(C(=O)OCc3nc(C4CC4)cs3)ccc21 C1CC1[*:1] CN1C(=O)CCc2cc(ccc21)C(=O)OCc1nc(cs1)[*:1]
CN1C(=O)CCc2cc(C(=O)OCc3nc(C4CC4)cs3)ccc21 c1sc(nc1C1CC1)[*:1] CN1C(=O)CCc2cc(ccc21)C(=O)OC[*:1]
COc1ccccc1N1CCN(C(=O)COCC(=O)[O-])CC1 O=C([O-])C[*:1] COc1ccccc1N1CCN(CC1)C(=O)CO[*:1]
COc1ccccc1N1CCN(C(=O)COCC(=O)[O-])CC1 O=C([O-])[*:1] COc1ccccc1N1CCN(CC1)C(=O)COC[*:1]
O=C(N[C@H]1CCOC1)c1cccc(S(=O)(=O)NCC2=CCCCC2)c1 O=C(N[C@H]1CCOC1)[*:1] O=S(=O)(NCC1=CCCCC1)c1cccc(c1)[*:1]
O=C1CCCc2[nH]c(=O)c(C(=O)NCCc3cccc(Cl)c3Cl)cc21 Clc1cccc(c1Cl)[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)NCC[*:1]
Cc1ccccc1-c1noc(CCC(=O)NCc2ccc(F)cc2)n1 Fc1ccc(cc1)C[*:1] Cc1ccccc1-c1noc(CCC(=O)N[*:1])n1
Cc1ccccc1-c1noc(CCC(=O)NCc2ccc(F)cc2)n1 Cc1ccccc1[*:1] O=C(CCc1nc(no1)[*:1])NCc1ccc(F)cc1
Cc1ccccc1-c1noc(CCC(=O)NCc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1ccccc1-c1noc(CCC(=O)NC[*:1])n1
O=[N+]([O-])c1ccc(SC[C@H](O)CO)c(F)c1 OC[C@@H](O)C[*:1] O=[N+]([O-])c1ccc(S[*:1])c(F)c1
O=[N+]([O-])c1ccc(SC[C@H](O)CO)c(F)c1 OC[C@@H](O)[*:1] O=[N+]([O-])c1ccc(SC[*:1])c(F)c1
O=[N+]([O-])c1ccc(SC[C@H](O)CO)c(F)c1 O=[N+]([O-])[*:1] OC[C@@H](O)CSc1ccc(cc1F)[*:1]
C[C@@H](SCCOc1cccc(F)c1)C(=O)N1CCCCC1 Fc1cccc(c1)[*:1] C[C@@H](SCCO[*:1])C(=O)N1CCCCC1
Cc1ccc(CNc2ncccc2[N+](=O)[O-])c(O[C@H]2CCOC2)c1 O=[N+]([O-])[*:1] Cc1ccc(CNc2ncccc2[*:1])c(c1)O[C@H]1CCOC1
CC(C)Oc1ncnc(N2CCCOCC2)c1N CC(C)O[*:1] Nc1c(ncnc1[*:1])N1CCCOCC1
CC(C)Oc1ncnc(N2CCCOCC2)c1N CC(C)[*:1] Nc1c(ncnc1N1CCCOCC1)O[*:1]
Cn1c(N2CCCC[C@@H]2CCc2ccccc2)c(C#N)c(=O)n(C)c1=O c1ccc(cc1)C[*:1] Cn1c(c(C#N)c(=O)n(C)c1=O)N1CCCC[C@@H]1C[*:1]
Cn1c(N2CCCC[C@@H]2CCc2ccccc2)c(C#N)c(=O)n(C)c1=O c1ccc(cc1)CC[*:1] Cn1c(c(C#N)c(=O)n(C)c1=O)N1CCCC[C@H]1[*:1]
Cn1c(N2CCCC[C@@H]2CCc2ccccc2)c(C#N)c(=O)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(c(C#N)c(=O)n(C)c1=O)N1CCCC[C@@H]1CC[*:1]
COc1cc(C(C)=O)ccc1OCc1cccc2cccnc12 CC(=O)[*:1] COc1cc(ccc1OCc1cccc2cccnc12)[*:1]
CCC[C@@H](C[NH3+])N1CCN(C(=O)N(C)CC)CC1 CCC[*:1] CCN(C)C(=O)N1CCN(CC1)[C@H](C[NH3+])[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc2ccc(C(=O)Nc3cccc(F)c3)cn12 Cc1cccc(C)c1[*:1] O=C(CSc1nnc2ccc(cn12)C(=O)Nc1cccc(F)c1)N[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc2ccc(C(=O)Nc3cccc(F)c3)cn12 Fc1cccc(c1)[*:1] Cc1cccc(C)c1NC(=O)CSc1nnc2ccc(cn12)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc2ccc(C(=O)Nc3cccc(F)c3)cn12 O=C(Nc1cccc(F)c1)[*:1] Cc1cccc(C)c1NC(=O)CSc1nnc2ccc(cn12)[*:1]
CCCN(C)c1ncnc2c1oc1ccccc12 CCC[*:1] CN(c1ncnc2c1oc1ccccc12)[*:1]
CCCN(C)c1ncnc2c1oc1ccccc12 CCCN(C)[*:1] c1ccc2c(c1)oc1c(ncnc12)[*:1]
CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 Fc1ccccc1[*:1] CCOc1ccc(cc1)N1C(=O)[C@H](C[*:1])S/C1=C(\C#N)C(=O)Nc1ccccc1
CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 CCO[*:1] N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccccc2F)C(=O)N1c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 CCOc1ccc(cc1)[*:1] N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccccc2F)C(=O)N1[*:1]
CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 Fc1ccccc1C[*:1] CCOc1ccc(cc1)N1C(=O)[C@H](S/C1=C(\C#N)C(=O)Nc1ccccc1)[*:1]
CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)[C@H](Cc2ccccc2F)S/C1=C(\C#N)C(=O)N[*:1]
CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 O=C(Nc1ccccc1)[*:1] CCOc1ccc(cc1)N1C(=O)[C@H](Cc2ccccc2F)SC1=C(C#N)[*:1]
O=C(CSCCN1CCOCC1)Nc1ccc(Cl)cc1Cl C1CN(CCO1)[*:1] O=C(CSCC[*:1])Nc1ccc(Cl)cc1Cl
O=C(CSCCN1CCOCC1)Nc1ccc(Cl)cc1Cl C1CN(CCO1)C[*:1] O=C(CSC[*:1])Nc1ccc(Cl)cc1Cl
N#C/C(=C\c1ccncc1)C(=O)Nc1cccc2ccccc12 c1cc(ccn1)[*:1] N#CC(=C[*:1])C(=O)Nc1cccc2ccccc12
CCCCOc1ccc2nc(NC(=O)c3ccc(OC)cc3)sc2c1 CCCCO[*:1] COc1ccc(cc1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CCCCOc1ccc2nc(NC(=O)c3ccc(OC)cc3)sc2c1 CCC[*:1] COc1ccc(cc1)C(=O)Nc1nc2ccc(cc2s1)OC[*:1]
CCCCOc1ccc2nc(NC(=O)c3ccc(OC)cc3)sc2c1 COc1ccc(cc1)[*:1] CCCCOc1ccc2nc(NC(=O)[*:1])sc2c1
CCCCOc1ccc2nc(NC(=O)c3ccc(OC)cc3)sc2c1 CCCC[*:1] COc1ccc(cc1)C(=O)Nc1nc2ccc(cc2s1)O[*:1]
CNC(=O)CCc1cc(C)nc(C2CCN(Cc3[nH]cc[nH+]3)CC2)c1 CNC(=O)CC[*:1] Cc1cc(cc(n1)C1CCN(CC1)Cc1[nH]cc[nH+]1)[*:1]
CNC(=O)CCc1cc(C)nc(C2CCN(Cc3[nH]cc[nH+]3)CC2)c1 CNC(=O)C[*:1] Cc1cc(cc(n1)C1CCN(CC1)Cc1[nH]cc[nH+]1)C[*:1]
CNC(=O)CCc1cc(C)nc(C2CCN(Cc3[nH]cc[nH+]3)CC2)c1 CNC(=O)[*:1] Cc1cc(cc(n1)C1CCN(CC1)Cc1[nH]cc[nH+]1)CC[*:1]
CCN(CC(C)(C)C[NH3+])c1nc2c(cc1C(N)=O)CCC2 NC(=O)[*:1] CCN(CC(C)(C)C[NH3+])c1nc2CCCc2cc1[*:1]
O=[N+]([O-])c1ccc(-c2ccc(CO)cc2)cc1 O=[N+]([O-])[*:1] OCc1ccc(cc1)-c1ccc(cc1)[*:1]
Cc1cc(N2CCN(C(=O)c3cc(C)oc3C)CC2)cc(C)[nH+]1 Cc1cc(c(C)o1)[*:1] Cc1cc(cc(C)[nH+]1)N1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccccc1Cl)NC1(C(F)(F)F)Oc2ccccc2O1 Clc1ccccc1[*:1] O=C(NC1(Oc2ccccc2O1)C(F)(F)F)N[*:1]
O=C(Nc1ccccc1Cl)NC1(C(F)(F)F)Oc2ccccc2O1 FC(F)(F)[*:1] O=C(Nc1ccccc1Cl)NC1(Oc2ccccc2O1)[*:1]
O=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(F)c(Cl)c1)N1CCSCC1 O=C(N1CCSCC1)[*:1] Fc1ccc(cc1Cl)Nc1c(cnc2ccc(Cl)cc12)[*:1]
O=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(F)c(Cl)c1)N1CCSCC1 Fc1ccc(cc1Cl)N[*:1] O=C(c1cnc2ccc(Cl)cc2c1[*:1])N1CCSCC1
O=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(F)c(Cl)c1)N1CCSCC1 Fc1ccc(cc1Cl)[*:1] O=C(c1cnc2ccc(Cl)cc2c1N[*:1])N1CCSCC1
CC1(C)C(CNC(=O)C2(C(N)=S)CCCCCC2)C1(C)C CC1(C)C(C1(C)C)[*:1] NC(=S)C1(CCCCCC1)C(=O)NC[*:1]
CC1(C)C(CNC(=O)C2(C(N)=S)CCCCCC2)C1(C)C NC(=S)[*:1] CC1(C)C(CNC(=O)C2(CCCCCC2)[*:1])C1(C)C
Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1nnc(CC(C)C)s1 Cc1ccccc1[*:1] CC(C)Cc1nnc(NC(=O)C(=O)N[C@@H](C)[*:1])s1
Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1nnc(CC(C)C)s1 CC(C)[*:1] Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1nnc(C[*:1])s1
Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1nnc(CC(C)C)s1 CC(C)C[*:1] Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1nnc(s1)[*:1]
Cc1ccccc1[C@@H]1C(=O)NC(=O)C[C@]1(C)CCC(C)C CC(C)[*:1] Cc1ccccc1[C@@H]1C(=O)NC(=O)C[C@]1(C)CC[*:1]
Cc1ccccc1[C@@H]1C(=O)NC(=O)C[C@]1(C)CCC(C)C CC(C)C[*:1] Cc1ccccc1[C@@H]1C(=O)NC(=O)C[C@]1(C)C[*:1]
Cc1ccccc1[C@@H]1C(=O)NC(=O)C[C@]1(C)CCC(C)C CC(C)CC[*:1] Cc1ccccc1[C@@H]1C(=O)NC(=O)C[C@@]1(C)[*:1]
Cc1ccccc1[C@@H]1C(=O)NC(=O)C[C@]1(C)CCC(C)C Cc1ccccc1[*:1] CC(C)CC[C@@]1(C)CC(=O)NC(=O)[C@H]1[*:1]
C#CCN(Cc1cnc(N(C)C)s1)[C@H]1CCS(=O)(=O)C1 CN(C)[*:1] C#CCN(Cc1cnc(s1)[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(Cc1cnc(N(C)C)s1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] CN(C)c1ncc(CN([C@H]2CCS(=O)(=O)C2)[*:1])s1
Cn1c(SCC2=NC(=O)[C@@H]3SC(c4ccc(Cl)cc4)=CC3=N2)nnc1C1CC1 Clc1ccc(cc1)[*:1] Cn1c(nnc1C1CC1)SCC1=NC(=O)[C@@H]2SC(=CC2=N1)[*:1]
Cn1c(SCC2=NC(=O)[C@@H]3SC(c4ccc(Cl)cc4)=CC3=N2)nnc1C1CC1 Cn1c(nnc1[*:1])C1CC1 O=C1N=C(CS[*:1])N=C2C=C(S[C@@H]12)c1ccc(Cl)cc1
Cn1c(SCC2=NC(=O)[C@@H]3SC(c4ccc(Cl)cc4)=CC3=N2)nnc1C1CC1 C1CC1[*:1] Cn1c(nnc1[*:1])SCC1=NC(=O)[C@@H]2SC(=CC2=N1)c1ccc(Cl)cc1
CC(C)(C)c1cc(NC(=O)NCCc2ccccn2)n(C(C)(C)C)n1 c1ccc(C[*:1])nc1 CC(C)(C)c1cc(NC(=O)NC[*:1])n(n1)C(C)(C)C
CC(C)(C)c1cc(NC(=O)NCCc2ccccn2)n(C(C)(C)C)n1 c1ccc(CC[*:1])nc1 CC(C)(C)c1cc(NC(=O)N[*:1])n(n1)C(C)(C)C
CC(C)(C)c1cc(NC(=O)NCCc2ccccn2)n(C(C)(C)C)n1 c1ccc(nc1)[*:1] CC(C)(C)c1cc(NC(=O)NCC[*:1])n(n1)C(C)(C)C
CC(C)(C)c1cc(NC(=O)NCCc2ccccn2)n(C(C)(C)C)n1 CC(C)(C)[*:1] CC(C)(C)n1nc(cc1NC(=O)NCCc1ccccn1)[*:1]
CC(C)(C)c1cc(NC(=O)NCCc2ccccn2)n(C(C)(C)C)n1 CC(C)(C)[*:1] CC(C)(C)c1cc(NC(=O)NCCc2ccccn2)n(n1)[*:1]
Cc1csc(CNC(=O)c2ccc3c(c2)OCO3)n1 Cc1csc(n1)[*:1] O=C(NC[*:1])c1ccc2OCOc2c1
Cc1ccsc1/C=C/C(=O)NNC(=O)c1ccco1 Cc1ccsc1[*:1] O=C(C=C[*:1])NNC(=O)c1ccco1
Cc1ccsc1/C=C/C(=O)NNC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccsc1/C=C/C(=O)NNC(=O)[*:1]
CCCNC(=O)c1cccc(CNC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)c1 CCCNC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
CCCNC(=O)c1cccc(CNC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)c1 CCC[*:1] O=C(N[*:1])c1cccc(c1)CNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2
CCOC(=O)Cn1/c(=N/C(=O)c2cc(C)no2)sc2c(OC)ccc(OC)c21 CCOC(=O)[*:1] COc1ccc(OC)c2c1s/c(=N\C(=O)c1cc(C)no1)n2C[*:1]
CCOC(=O)Cn1/c(=N/C(=O)c2cc(C)no2)sc2c(OC)ccc(OC)c21 Cc1cc(on1)[*:1] CCOC(=O)Cn1/c(=N/C(=O)[*:1])sc2c(ccc(OC)c21)OC
CCOC(=O)Cn1/c(=N/C(=O)c2cc(C)no2)sc2c(OC)ccc(OC)c21 CCOC(=O)C[*:1] COc1ccc(OC)c2c1s/c(=N\C(=O)c1cc(C)no1)n2[*:1]
O=C(OCC(F)(F)F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 FC(F)(F)[*:1] O=C(OC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1
O=C(OCC(F)(F)F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 O=C(OCC(F)(F)F)[*:1] O=S(=O)(c1ccc2CCCc2c1)N1CCC(CC1)[*:1]
O=C(OCC(F)(F)F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 FC(F)(F)C[*:1] O=C(O[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1
CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(OCC)cc3)c12 CCOC(=O)[*:1] CCOc1ccc(cc1)Nc1ncnc2oc(C)c(c12)[*:1]
CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(OCC)cc3)c12 CCO[*:1] CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(cc3)[*:1])c12
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)NCc1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)NC[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)NCc1cnn(C)c1 Cn1cc(cn1)C[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N[*:1]
CC(C)CO[C@@H](C)/C(N)=N/OCc1cccc(C#N)c1 CC(C)[*:1] C[C@H](OC[*:1])/C(N)=N/OCc1cccc(C#N)c1
CC(C)CO[C@@H](C)/C(N)=N/OCc1cccc(C#N)c1 CC(C)CO[*:1] C[C@@H](/C(N)=N/OCc1cccc(C#N)c1)[*:1]
CC(C)CO[C@@H](C)/C(N)=N/OCc1cccc(C#N)c1 CC(C)C[*:1] C[C@H](O[*:1])/C(N)=N/OCc1cccc(C#N)c1
COc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 COc1cccc(c1)C[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1ccccc1
COc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
COc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])c1ccc(cc1)NS(=O)(=O)c1ccccc1
CC[C@@H](C)NS(=O)(=O)/C=C/c1ccccc1Cl CC[C@@H](C)[*:1] O=S(=O)(/C=C/c1ccccc1Cl)N[*:1]
O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCC([C@@H](O)c2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(c1cc(n[nH]1)-c1ccccc1O)N1CCC(CC1)[C@@H](O)[*:1]
O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCC([C@@H](O)c2ccccn2)CC1 Oc1ccccc1[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCC(CC1)[C@@H](O)c1ccccn1
COC(=O)Cc1csc(NC(=O)/C=C/c2cccc3cccnc23)n1 COC(=O)C[*:1] O=C(/C=C/c1cccc2cccnc12)Nc1nc(cs1)[*:1]
COC(=O)Cc1csc(NC(=O)/C=C/c2cccc3cccnc23)n1 COC(=O)[*:1] O=C(/C=C/c1cccc2cccnc12)Nc1nc(cs1)C[*:1]
CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 Fc1ccc(cc1)[*:1] CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 Fc1ccc(cc1)C[*:1] CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 CC(C)[*:1] O=C1[C@@H]2[C@@H](N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1Cc1ccc(F)cc1)[*:1]
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnc(C)cn1 Cc1cnc(cn1)[*:1] COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N(C)C
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnc(C)cn1 CN(C)S(=O)(=O)[*:1] COc1ccc(cc1NC(=O)c1cnc(C)cn1)[*:1]
O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(N2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] O=C(OCc1ccc(cc1)C(=O)N1CCCC1)c1ccc(cc1)[*:1]
O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(N2C(=O)CCC2=O)cc1 O=C(N1CCCC1)[*:1] O=C(OCc1ccc(cc1)[*:1])c1ccc(cc1)N1C(=O)CCC1=O
COCC(=O)Nc1c2c(nn1-c1ccccc1)CSC2 COC[*:1] O=C(Nc1c2CSCc2nn1-c1ccccc1)[*:1]
COCC(=O)Nc1c2c(nn1-c1ccccc1)CSC2 COCC(=O)N[*:1] c1ccc(cc1)-n1nc2CSCc2c1[*:1]
COCC(=O)Nc1c2c(nn1-c1ccccc1)CSC2 c1ccc(cc1)[*:1] COCC(=O)Nc1c2CSCc2nn1[*:1]
CCOC(=O)c1ccc(N/C([O-])=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1 CCOC(=O)[*:1] Cc1ccc(cc1C)C(=O)/C(C#N)=C(\[O-])Nc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(N/C([O-])=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] CCOC(=O)c1ccc(cc1)N/C([O-])=C(\C#N)C(=O)[*:1]
CC[C@H](CO)Nc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 c1ccc(cc1)[*:1] CC[C@H](CO)Nc1nc(nc2scc(c12)[*:1])-c1cccnc1
CC[C@H](CO)Nc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 c1cncc(c1)[*:1] CC[C@H](CO)Nc1nc(nc2scc(-c3ccccc3)c12)[*:1]
Cc1cnc2c(c1)nc([C@H](C)Cl)n2[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cnc2c(c1)nc([C@H](C)Cl)n2[C@@H](C)[*:1]
Cc1cnc2c(c1)nc([C@H](C)Cl)n2[C@@H](C)c1ccccc1 C[C@H](Cl)[*:1] Cc1cnc2c(c1)nc(n2[C@@H](C)c1ccccc1)[*:1]
C[C@H](C#N)CNc1cccc(F)c1C#N C[C@H](C#N)[*:1] N#Cc1c(F)cccc1NC[*:1]
C[C@H](C#N)CNc1cccc(F)c1C#N C[C@H](C#N)C[*:1] N#Cc1c(F)cccc1N[*:1]
COc1cc(C(=O)N2CCC[C@](CO)(Cc3ccccc3F)C2)ccc1C COc1cc(ccc1C)[*:1] O=C(N1CCC[C@](CO)(Cc2ccccc2F)C1)[*:1]
COc1cc(C(=O)N2CCC[C@](CO)(Cc3ccccc3F)C2)ccc1C Fc1ccccc1C[*:1] COc1cc(ccc1C)C(=O)N1CCC[C@](CO)(C1)[*:1]
COc1cc(C(=O)N2CCC[C@](CO)(Cc3ccccc3F)C2)ccc1C Fc1ccccc1[*:1] COc1cc(ccc1C)C(=O)N1CCC[C@@](CO)(C1)C[*:1]
O=C(COc1ccc(Cl)cc1)N1CC[NH+]=C1N1CCCCC1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N1CC[NH+]=C1N1CCCCC1
CC(=O)Nc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CCc1ccc(o1)[*:1]
CC(=O)Nc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 CC(=O)N[*:1] O=C(CCc1ccc(o1)-c1ccccc1)Nc1ccc(cc1)[*:1]
C/C(=N/NC(=O)Cn1cnc2ccccc21)c1ccncc1 c1cc(ccn1)[*:1] CC(=NNC(=O)Cn1cnc2ccccc21)[*:1]
O=C(NC1CCCCCCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 C1CCCC(CCC1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CCc2ccccc2)C1
O=C(NC1CCCCCCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(NC1CCCCCCC1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NC1CCCCCCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC1CCCCCCC1)[C@@H]1CC(=O)N(CC[*:1])C1
O=C(NC1CCCCCCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(NC1CCCCCCC1)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1csc(CO/N=C/c2ccccc2OC(F)F)n1 FC(F)O[*:1] Cc1csc(CO/N=C/c2ccccc2[*:1])n1
Cc1csc(CO/N=C/c2ccccc2OC(F)F)n1 Cc1csc(n1)[*:1] FC(F)Oc1ccccc1/C=N/OC[*:1]
Cc1csc(CO/N=C/c2ccccc2OC(F)F)n1 FC(F)[*:1] Cc1csc(CO/N=C/c2ccccc2O[*:1])n1
O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[*:1]
Cc1nc(C(C)(C)NC(=O)CCc2cccnc2)sc1C c1cncc(c1)C[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)C[*:1]
Cc1nc(C(C)(C)NC(=O)CCc2cccnc2)sc1C c1cncc(c1)[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)CC[*:1]
Cc1nc(C(C)(C)NC(=O)CCc2cccnc2)sc1C Cc1nc(sc1C)[*:1] CC(C)(NC(=O)CCc1cccnc1)[*:1]
C/C(C[C@H](C[N+](=O)[O-])c1ccccc1)=N\c1ccc(S(N)(=O)=O)cc1 O=[N+]([O-])[*:1] C/C(C[C@H](C[*:1])c1ccccc1)=N\c1ccc(cc1)S(N)(=O)=O
C/C(C[C@H](C[N+](=O)[O-])c1ccccc1)=N\c1ccc(S(N)(=O)=O)cc1 O=[N+]([O-])C[*:1] C/C(C[C@H](c1ccccc1)[*:1])=N\c1ccc(cc1)S(N)(=O)=O
C/C(C[C@H](C[N+](=O)[O-])c1ccccc1)=N\c1ccc(S(N)(=O)=O)cc1 c1ccc(cc1)[*:1] C/C(C[C@H](C[N+](=O)[O-])[*:1])=N\c1ccc(cc1)S(N)(=O)=O
C/C(C[C@H](C[N+](=O)[O-])c1ccccc1)=N\c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C/C(C[C@H](C[N+](=O)[O-])c1ccccc1)=N\c1ccc(cc1)[*:1]
C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCCCC[C@@H]1c1ccccc1)CS2 c1ccc(cc1)[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)N1CCCCC[C@H]1[*:1]
CC(=O)N(C)c1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)cc1 Fc1ccc(cc1Cl)[*:1] CC(=O)N(C)c1ccc(cc1)NC(=O)CN[*:1]
CC(=O)N(C)c1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)cc1 CC(=O)N(C)[*:1] O=C(CNc1ccc(F)c(Cl)c1)Nc1ccc(cc1)[*:1]
O=C([O-])[C@@H](Cc1cn2ccccc2[nH+]1)c1ccccc1F Fc1ccccc1[*:1] O=C([O-])[C@@H](Cc1cn2ccccc2[nH+]1)[*:1]
O=C([O-])[C@@H](Cc1cn2ccccc2[nH+]1)c1ccccc1F O=C([O-])[*:1] Fc1ccccc1[C@H](Cc1cn2ccccc2[nH+]1)[*:1]
O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 Clc1cccc(c1)[*:1] O=C(CN1CCN(CC1)[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CN1CCN(CC1)c1cccc(Cl)c1)Nc1ccc(Cl)c(c1)[*:1]
CC(C)(CCO)CNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 OCC[*:1] CC(C)(CNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)[*:1]
CC(C)(CCO)CNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 CC(C)(CCO)[*:1] O=C(NC[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
CNC(=O)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 CNC(=O)[*:1] O=c1[nH]c(C[*:1])nc2scc(-c3ccc(F)cc3)c12
CNC(=O)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 CNC(=O)C[*:1] O=c1[nH]c(nc2scc(-c3ccc(F)cc3)c12)[*:1]
CNC(=O)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 Fc1ccc(cc1)[*:1] CNC(=O)Cc1nc2scc(c2c(=O)[nH]1)[*:1]
CCOc1ccc2[nH]c(SCc3cc(C)no3)nc2c1 Cc1cc(on1)[*:1] CCOc1ccc2[nH]c(nc2c1)SC[*:1]
CCOc1ccc2[nH]c(SCc3cc(C)no3)nc2c1 CCO[*:1] Cc1cc(CSc2nc3cc(ccc3[nH]2)[*:1])on1
CC[C@@](C)([C@@H](O)c1ccc(F)c(F)c1F)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)([C@@H](O)c1ccc(F)c(F)c1F)[*:1]
O=C(NNC(=O)c1cccs1)c1ccc(NC(=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] O=C(NNC(=O)c1cccs1)c1ccc(cc1)NC(=O)[*:1]
O=C(NNC(=O)c1cccs1)c1ccc(NC(=O)C2CCCCC2)cc1 c1csc(c1)[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)NC(=O)C1CCCCC1
CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC([NH+]4CCCCC4)CC3)C2)c1 CCn1cnc(c1)[*:1] O=C([C@H]1CCCN(C1)S(=O)(=O)[*:1])N1CCC(CC1)[NH+]1CCCCC1
CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1Cl Clc1ccccc1[*:1] CN(Cc1ccc(F)c(F)c1)S(=O)(=O)[*:1]
CCCN(CC(=O)NC)C(=O)c1oncc1C CNC(=O)[*:1] CCCN(C[*:1])C(=O)c1oncc1C
CCCN(CC(=O)NC)C(=O)c1oncc1C CNC(=O)C[*:1] CCCN(C(=O)c1oncc1C)[*:1]
CCCN(CC(=O)NC)C(=O)c1oncc1C CCC[*:1] CNC(=O)CN(C(=O)c1oncc1C)[*:1]
COc1ccc2c(C)cc(SCC(=O)[O-])nc2c1 O=C([O-])C[*:1] COc1ccc2c(C)cc(nc2c1)S[*:1]
COc1ccc2c(C)cc(SCC(=O)[O-])nc2c1 O=C([O-])CS[*:1] COc1ccc2c(C)cc(nc2c1)[*:1]
COc1ccc2c(C)cc(SCC(=O)[O-])nc2c1 O=C([O-])[*:1] COc1ccc2c(C)cc(nc2c1)SC[*:1]
Cc1ccc(C[C@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)C2CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(C1CC1)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(C[C@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C([C@H]1CCCN1C(=O)C1CC1)N1CCC[C@@H]1C[*:1]
Cc1ccc(C[C@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[*:1]
O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2cccc(Cl)c2)c1O Clc1cccc(c1)[*:1] O=c1cc(CO)oc(c1O)[C@@H](Nc1ccccn1)[*:1]
O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2cccc(Cl)c2)c1O c1ccc(nc1)[*:1] O=c1cc(CO)oc(c1O)[C@@H](N[*:1])c1cccc(Cl)c1
O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2cccc(Cl)c2)c1O c1ccc(nc1)N[*:1] O=c1cc(CO)oc(c1O)[C@@H](c1cccc(Cl)c1)[*:1]
CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(Cl)cc2)cc1OC CCOc1ccc(cc1OC)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1Cc1ccc(Cl)cc1)[*:1]
CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(Cl)cc2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1Cc1ccc(Cl)cc1
CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(Cl)cc2)cc1OC Clc1ccc(cc1)C[*:1] CCOc1ccc(cc1OC)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(Cl)cc2)cc1OC Clc1ccc(cc1)[*:1] CCOc1ccc(cc1OC)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1C[*:1]
COc1cc(C)c(C(C)C)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C CC(C)[*:1] COc1cc(C)c(cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C)[*:1]
O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cccc(O)c1 Oc1cccc(c1)[*:1] O=C(CSCc1ccc(Cl)c(Cl)c1)N[*:1]
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(cc1)[*:1]
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(cc1)O[*:1]
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cccc(C#N)c3)C[C@H]2C1=O C=CC[*:1] N#Cc1cccc(c1)C(=O)N1C[C@H]2C(=O)N(C[C@]2(C1)C(=O)[O-])[*:1]
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cccc(C#N)c3)C[C@H]2C1=O O=C([O-])[*:1] C=CCN1C[C@]2(CN(C[C@H]2C1=O)C(=O)c1cccc(C#N)c1)[*:1]
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cccc(C#N)c3)C[C@H]2C1=O N#Cc1cccc(c1)[*:1] C=CCN1C[C@]2(CN(C[C@H]2C1=O)C(=O)[*:1])C(=O)[O-]
O=C(COc1cc(F)ccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 O=[N+]([O-])[*:1] O=C(COc1cc(F)ccc1[*:1])N1CCN(CC1)c1cccc[nH+]1
CC1(C)CCCN(C(=O)c2csc(/C=C/C(=O)[O-])c2)C1 O=C([O-])C=C[*:1] CC1(C)CCCN(C1)C(=O)c1csc(c1)[*:1]
CC1(C)CCCN(C(=O)c2csc(/C=C/C(=O)[O-])c2)C1 O=C([O-])[*:1] CC1(C)CCCN(C1)C(=O)c1csc(C=C[*:1])c1
C/C(=N/NC(=O)c1ccncc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 c1cc(ccn1)[*:1] C/C(=N/NC(=O)[*:1])c1cccc(c1)NC(=O)c1ccc(Cl)cc1Cl
C/C(=N/NC(=O)c1ccncc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 Clc1ccc(c(Cl)c1)[*:1] C/C(=N/NC(=O)c1ccncc1)c1cccc(c1)NC(=O)[*:1]
C[NH+]1CCN([C@@H](CNC(=O)c2ccccc2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)c1ccccc1)[*:1]
C[NH+]1CCN([C@@H](CNC(=O)c2ccccc2)c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)[*:1])c1ccc(F)cc1
COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(F)cc1 COCC[*:1] CC1N=C2SCCC(=O)N2[C@@H](C=1C(=O)O[*:1])c1ccc(F)cc1
COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(F)cc1 COCCOC(=O)[*:1] CC1N=C2SCCC(=O)N2[C@@H](C=1[*:1])c1ccc(F)cc1
COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1[*:1]
COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(F)cc1 COC[*:1] CC1N=C2SCCC(=O)N2[C@@H](C=1C(=O)OC[*:1])c1ccc(F)cc1
C[C@H](SCc1cc(=O)n2ccsc2n1)c1cccs1 c1csc(c1)[*:1] C[C@H](SCc1cc(=O)n2ccsc2n1)[*:1]
CC(C)Oc1ccc(CC(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)O[*:1])N1CCc2c(cnn2-c2ccccc2)C1
CC(C)Oc1ccc(CC(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1 CC(C)O[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCc2c(cnn2-c2ccccc2)C1
CC(C)Oc1ccc(CC(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)CC(=O)N1CCc2c(cnn2[*:1])C1
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2cccc(Cl)c2)NC(=S)N1 Clc1cccc(c1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1cccc(Cl)c1)[*:1]
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2cccc(Cl)c2)NC(=S)N1 Clc1cccc(c1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1cccc(Cl)c1
O=C([O-])[C@@H]1CC[C@@]2(CCN(C(=O)OCc3ccccc3)C2)C1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1CC[C@@]2(CCN(C2)C(=O)OC[*:1])C1
O=C([O-])[C@@H]1CC[C@@]2(CCN(C(=O)OCc3ccccc3)C2)C1 c1ccc(cc1)C[*:1] O=C([O-])[C@@H]1CC[C@@]2(CCN(C2)C(=O)O[*:1])C1
O=C([O-])[C@@H]1CC[C@@]2(CCN(C(=O)OCc3ccccc3)C2)C1 O=C([O-])[*:1] O=C(OCc1ccccc1)N1CC[C@@]2(CC[C@H](C2)[*:1])C1
Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1cccc(-c3ccccc3F)c1)CC2 Cc1nonc1[*:1] CN(C[*:1])C(=O)[C@@H]1CC12CCN(CC2)C(=O)c1cccc(c1)-c1ccccc1F
Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1cccc(-c3ccccc3F)c1)CC2 Fc1ccccc1[*:1] Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(CC2)C(=O)c1cccc(c1)[*:1]
C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O c1ccc2sc(nc2c1)[*:1] C[C@H](N(C)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O)[*:1]
CC(C)[C@@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)[*:1]
CC(C)[C@@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccccn1 CC(C)[*:1] O=C(C[C@@H]1OC(=O)c2ccccc21)N[C@@H](c1ccccn1)[*:1]
COC(=O)[C@H](C)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1 C[C@@H]1C[C@@H]1[*:1] COC(=O)[C@H](C)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@H](C)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1 COC(=O)[*:1] C[C@H](N1CCN(CC1)C(=O)[C@H]1C[C@H]1C)[*:1]
COC(=O)[C@H](C)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1 COC(=O)[C@H](C)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)[*:1]
CCCCCCNC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 CCCCC[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NC[*:1]
CCCCCCNC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 CCCC[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NCC[*:1]
CCCCCCNC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 CCCCCC[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[*:1]
CCCCCCNC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 CCC[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NCCC[*:1]
COC(=O)c1ccc(-c2nc3c(n2O)C(=O)CC(C)(C)C3)cc1 COC(=O)[*:1] CC1(C)CC(=O)c2c(C1)nc(-c1ccc(cc1)[*:1])n2O
CCOC(=O)C(C(=O)OCC)[C@]1(O)C(=O)Nc2ccccc21 CCOC(=O)[*:1] CCOC(=O)C([C@]1(O)C(=O)Nc2ccccc21)[*:1]
N#Cc1ccc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 N#Cc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nnc(CS[*:1])o1
N#Cc1ccc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 O=[N+]([O-])[*:1] N#Cc1ccc(cc1)SCc1nnc(o1)-c1ccc(cc1)[*:1]
CCN1CCN(Cc2ccccc2-c2ccccc2)C(=O)C1=O c1ccc(cc1)[*:1] CCN1CCN(Cc2ccccc2[*:1])C(=O)C1=O
CN(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCC[C@H]1[*:1]
CC[C@H](C)[C@H](C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](C(=O)NNC(=O)C(=O)NC(C)C)[*:1]
CC[C@H](C)[C@H](C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1 CC(C)[*:1] CC[C@H](C)[C@H](C(=O)NNC(=O)C(=O)N[*:1])c1ccccc1
CC[C@H](C)[C@H](C(=O)NNC(=O)C(=O)NC(C)C)c1ccccc1 CC[C@H](C)[*:1] CC(C)NC(=O)C(=O)NNC(=O)[C@H](c1ccccc1)[*:1]
CC(C)n1ncc2c(C(=O)Nc3ccc(Cl)nn3)cc(-c3ccco3)nc21 c1coc(c1)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)Nc1ccc(Cl)nn1
CC(C)n1ncc2c(C(=O)Nc3ccc(Cl)nn3)cc(-c3ccco3)nc21 Clc1ccc(nn1)[*:1] CC(C)n1ncc2c(cc(nc21)-c1ccco1)C(=O)N[*:1]
CC(C)n1ncc2c(C(=O)Nc3ccc(Cl)nn3)cc(-c3ccco3)nc21 CC(C)[*:1] O=C(Nc1ccc(Cl)nn1)c1cc(nc2c1cnn2[*:1])-c1ccco1
CC(C)S(=O)(=O)CC(=O)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)S(=O)(=O)CC(=O)NC(c1ccccc1)[*:1]
CC(C)S(=O)(=O)CC(=O)NC(c1ccccc1)c1ccccc1 CC(C)[*:1] O=C(CS(=O)(=O)[*:1])NC(c1ccccc1)c1ccccc1
CC(C)S(=O)(=O)CC(=O)NC(c1ccccc1)c1ccccc1 CC(C)S(=O)(=O)C[*:1] O=C(NC(c1ccccc1)c1ccccc1)[*:1]
CC(C)S(=O)(=O)CC(=O)NC(c1ccccc1)c1ccccc1 CC(C)S(=O)(=O)[*:1] O=C(C[*:1])NC(c1ccccc1)c1ccccc1
N#Cc1ccccc1OCCN1CC[NH+](CCCO)CC1 OCCC[*:1] N#Cc1ccccc1OCCN1CC[NH+](CC1)[*:1]
N#Cc1ccccc1OCCN1CC[NH+](CCCO)CC1 OCC[*:1] N#Cc1ccccc1OCCN1CC[NH+](CC1)C[*:1]
Cc1cc(C)c2sc(NS(=O)(=O)c3ccc(F)cc3)nc2c1 Fc1ccc(cc1)[*:1] Cc1cc(C)c2sc(nc2c1)NS(=O)(=O)[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)CN2CSCC2=O)CC1 CCOC[*:1] O=C(CN1CSCC1=O)N1CCN(CC1)C[C@H](O)[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)CN2CSCC2=O)CC1 CCO[*:1] O=C(CN1CSCC1=O)N1CCN(CC1)C[C@H](O)C[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)CN2CSCC2=O)CC1 CCOC[C@@H](O)[*:1] O=C(CN1CSCC1=O)N1CCN(CC1)C[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)CN2CSCC2=O)CC1 CCOC[C@@H](O)C[*:1] O=C(CN1CSCC1=O)N1CCN(CC1)[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)CN2CSCC2=O)CC1 O=C1CSCN1C[*:1] CCOC[C@@H](O)CN1CCN(CC1)C(=O)[*:1]
CCOC[C@@H](O)CN1CCN(C(=O)CN2CSCC2=O)CC1 O=C1CSCN1[*:1] CCOC[C@@H](O)CN1CCN(CC1)C(=O)C[*:1]
CC(=O)N[C@H]1[C@H](OC2=C[C@H]3OC(=O)C=C(C)[C@@H]3C=C2)O[C@H](CO)[C@@H](O)[C@@H]1O CC(=O)N[*:1] CC1=CC(=O)O[C@@H]2C=C(C=C[C@@H]12)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1[*:1]
COCc1cc(NC(=O)N2CCC[C@H](c3cn[nH]c3)C2)ncn1 COC[*:1] O=C(Nc1cc(ncn1)[*:1])N1CCC[C@@H](C1)c1cn[nH]c1
COCc1cc(NC(=O)N2CCC[C@H](c3cn[nH]c3)C2)ncn1 c1n[nH]cc1[*:1] COCc1cc(ncn1)NC(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(C)c(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[*:1])c1nn(ccc1=O)-c1ccc(Cl)cc1
Cc1ccc(C)c(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)c1nn(ccc1=O)[*:1]
CCC(CC)([C@@H](O)CC1CC1)[NH+](C)C C1CC1[*:1] CCC(CC)([C@@H](O)C[*:1])[NH+](C)C
CCC(CC)([C@@H](O)CC1CC1)[NH+](C)C C1CC1C[*:1] CCC(CC)([C@@H](O)[*:1])[NH+](C)C
COc1cc(-c2nc(CCc3ccccc3)n[nH]2)ccn1 c1ccc(cc1)[*:1] COc1cc(ccn1)-c1nc(CC[*:1])n[nH]1
COc1cc(-c2nc(CCc3ccccc3)n[nH]2)ccn1 c1ccc(cc1)C[*:1] COc1cc(ccn1)-c1nc(C[*:1])n[nH]1
Cc1ccc([C@@H](CNS(=O)(=O)c2cncc(F)c2)N2CCOCC2)o1 Cc1ccc(o1)[*:1] O=S(=O)(NC[C@@H](N1CCOCC1)[*:1])c1cncc(F)c1
Cc1ccc([C@@H](CNS(=O)(=O)c2cncc(F)c2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNS(=O)(=O)c1cncc(F)c1)[*:1]
Cc1ccc([C@@H](CNS(=O)(=O)c2cncc(F)c2)N2CCOCC2)o1 Fc1cncc(c1)[*:1] Cc1ccc(o1)[C@@H](CNS(=O)(=O)[*:1])N1CCOCC1
C[C@@H](COc1ccc(F)cc1F)NC(=O)c1scnc1C1CC1 C1CC1[*:1] C[C@@H](COc1ccc(F)cc1F)NC(=O)c1scnc1[*:1]
COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NC1CCCC1 O=C(CC[*:1])NC1CCCC1 COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1[*:1]
COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NC1CCCC1 O=C(C[*:1])NC1CCCC1 COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1C[*:1]
COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NC1CCCC1 C1CCC(C1)[*:1] COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)N[*:1]
COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NC1CCCC1 Cc1ccc(cc1)[*:1] COc1nc2c(c(C)nn2[*:1])c(C)c1CCC(=O)NC1CCCC1
COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CC[*:1]
CN(Cc1ccc(Cl)nc1)C(=O)NCC1CCC1 C1CC(C1)[*:1] CN(Cc1ccc(Cl)nc1)C(=O)NC[*:1]
CN(Cc1ccc(Cl)nc1)C(=O)NCC1CCC1 C1CC(C1)C[*:1] CN(Cc1ccc(Cl)nc1)C(=O)N[*:1]
O=C(c1nsc(Cl)c1Cl)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1 Clc1snc(c1Cl)[*:1] O=C(N1CCC[C@H](C1)c1[nH]ncc1-c1ccncc1)[*:1]
O=C(c1nsc(Cl)c1Cl)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1 c1cc(ccn1)[*:1] O=C(c1nsc(Cl)c1Cl)N1CCC[C@H](C1)c1[nH]ncc1[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[S@@](=O)CC)C1 CC[S@](=O)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
O=C(NCc1ccccn1)c1ccc2cc[nH]c2c1 c1ccc(nc1)[*:1] O=C(NC[*:1])c1ccc2cc[nH]c2c1
CC[NH2+][C@H](CC(C)C)[C@](C)(CC)[NH+]1CCCC1 CC(C)[*:1] CC[NH2+][C@H](C[*:1])[C@](C)(CC)[NH+]1CCCC1
CC[NH2+][C@H](CC(C)C)[C@](C)(CC)[NH+]1CCCC1 CC(C)C[*:1] CC[NH2+][C@H]([C@](C)(CC)[NH+]1CCCC1)[*:1]
C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C C[C@@H](CCC(=O)[O-])[*:1] C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC(=O)[C@]2(C)[C@@H](CC[C@H]12)[*:1]
C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C O=C([O-])C[*:1] C[C@@H](C[*:1])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C
C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C O=C([O-])CC[*:1] C[C@@H]([C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C)[*:1]
C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C O=C([O-])[*:1] C[C@@H](CC[*:1])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC3)n2Cc2ccco2)cc1 c1coc(c1)[*:1] CC(C)(C)c1ccc(cc1)-c1nnc(SCC(=O)N2CCCC2)n1C[*:1]
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC3)n2Cc2ccco2)cc1 c1coc(c1)C[*:1] CC(C)(C)c1ccc(cc1)-c1nnc(SCC(=O)N2CCCC2)n1[*:1]
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC3)n2Cc2ccco2)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C(CSc1nnc(n1Cc1ccco1)[*:1])N1CCCC1
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC3)n2Cc2ccco2)cc1 O=C(N1CCCC1)[*:1] CC(C)(C)c1ccc(cc1)-c1nnc(SC[*:1])n1Cc1ccco1
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC3)n2Cc2ccco2)cc1 O=C(CS[*:1])N1CCCC1 CC(C)(C)c1ccc(cc1)-c1nnc(n1Cc1ccco1)[*:1]
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC3)n2Cc2ccco2)cc1 CC(C)(C)[*:1] O=C(CSc1nnc(-c2ccc(cc2)[*:1])n1Cc1ccco1)N1CCCC1
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC3)n2Cc2ccco2)cc1 O=C(C[*:1])N1CCCC1 CC(C)(C)c1ccc(cc1)-c1nnc(S[*:1])n1Cc1ccco1
O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1)NC1CCCC1 Fc1ccccc1[*:1] O=C(Nc1nc(cs1)CC(=O)N1CCN(CC1)[*:1])NC1CCCC1
O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1nc(cs1)CC(=O)N1CCN(CC1)c1ccccc1F)N[*:1]
O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1)NC1CCCC1 O=C(NC1CCCC1)N[*:1] O=C(Cc1csc(n1)[*:1])N1CCN(CC1)c1ccccc1F
CS(=O)(=O)[C@H]1CCC[C@H](N(CC[NH3+])Cc2ccccc2)C1 CS(=O)(=O)[*:1] [NH3+]CCN(Cc1ccccc1)[C@H]1CCC[C@@H](C1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](N(CC[NH3+])Cc2ccccc2)C1 c1ccc(cc1)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)N(CC[NH3+])C[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](N(CC[NH3+])Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)N(CC[NH3+])[*:1]
Cc1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C c1cc(ccn1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[*:1]
CC[NH2+][C@H]([C@@H]1CC[C@H](C)[C@H](C)C1)[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] CC[NH2+][C@H]([C@@H]1CC[C@H](C)[C@H](C)C1)[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NO[C@H]3CCCCO3)c12 C1CC1[*:1] Cc1nn(C)c2nc(cc(C(=O)NO[C@H]3CCCCO3)c12)[*:1]
CC/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 c1ccc(cc1)[*:1] CCC(=NNC(=O)[C@@H]1COc2ccccc2O1)[*:1]
c1ccc(SCCN2CC[NH2+][C@H](C3CC3)C2)cc1 C1CC1[*:1] c1ccc(cc1)SCCN1CC[NH2+][C@H](C1)[*:1]
c1ccc(SCCN2CC[NH2+][C@H](C3CC3)C2)cc1 c1ccc(cc1)[*:1] C1CN(CCS[*:1])C[C@H]([NH2+]1)C1CC1
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N1CCC(CC1)C[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Cc2ccccc2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(o1)[*:1])N1CCC(CC1)Cc1ccccc1
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N1CCC(CC1)[*:1]
O=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)Nc1cccc2c1CCCC2 O=S(=O)(N1CCCC1)[*:1] O=C(Cn1cnc(c1)[*:1])Nc1cccc2CCCCc21
Cc1ccc(NNC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(CN1C(=O)COc2ccc(Cl)cc21)NN[*:1]
COc1ccc(-c2cc(N(C)CCCCC#N)n[nH]2)cc1 N#CCCC[*:1] COc1ccc(cc1)-c1cc(n[nH]1)N(C)C[*:1]
COc1ccc(-c2cc(N(C)CCCCC#N)n[nH]2)cc1 N#CC[*:1] COc1ccc(cc1)-c1cc(n[nH]1)N(C)CCC[*:1]
COc1ccc(-c2cc(N(C)CCCCC#N)n[nH]2)cc1 N#CCCCC[*:1] COc1ccc(cc1)-c1cc(n[nH]1)N(C)[*:1]
COc1ccc(-c2cc(N(C)CCCCC#N)n[nH]2)cc1 N#CCC[*:1] COc1ccc(cc1)-c1cc(n[nH]1)N(C)CC[*:1]
CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 Clc1ccc(cc1)[*:1] CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C(=O)[C@@H]12)[*:1]
CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 CC(=O)[*:1] O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)C1c3ccccc3C2(c2ccccc21)[*:1]
Cc1nc(CNc2nc(Br)cn3ccnc23)cs1 Cc1nc(cs1)[*:1] Brc1cn2ccnc2c(n1)NC[*:1]
O=C(CNC(=O)CN1C(=O)C2(CCOCC2)c2ccccc21)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)C2(CCOCC2)c2ccccc21)NCC(=O)N[*:1]
O=C(CNC(=O)CN1C(=O)C2(CCOCC2)c2ccccc21)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] O=C(CN1C(=O)C2(CCOCC2)c2ccccc21)NC[*:1]
O=C(CNC(=O)CN1C(=O)C2(CCOCC2)c2ccccc21)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)CN1C(=O)C2(CCOCC2)c2ccccc21)NC[*:1]
CCOc1ccccc1NC(=O)C(=O)NCCc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] CCOc1ccccc1NC(=O)C(=O)NCC[*:1]
CCOc1ccccc1NC(=O)C(=O)NCCc1cc(C)cc(C)c1 CCO[*:1] Cc1cc(C)cc(c1)CCNC(=O)C(=O)Nc1ccccc1[*:1]
CCCN1CCO[C@@H]([C@H](O)Cc2cccc(O)c2)C1 CCC[*:1] Oc1cccc(c1)C[C@@H](O)[C@H]1CN(CCO1)[*:1]
O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)Nc1nc(cs1)[*:1]
O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc(F)cc1
COCc1ccc(C[NH2+]Cc2cccc3c2OCCO3)cc1 COC[*:1] c1cc(C[NH2+]Cc2ccc(cc2)[*:1])c2OCCOc2c1
CC(=O)c1cccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 CC(=O)[*:1] O=C(Cn1nc(ccc1=O)-c1ccc(Cl)cc1)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 CC(=O)c1cccc(c1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccc(Cl)cc1)N[*:1]
CC(=O)c1cccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 Clc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)Cn1nc(ccc1=O)[*:1]
Cc1c(CNC(=O)c2occc2Br)oc2ccccc12 Brc1ccoc1[*:1] Cc1c(CNC(=O)[*:1])oc2ccccc12
COC(=O)C[C@@H](NC(=O)c1ncoc1-c1ccco1)c1ccc(F)cc1 COC(=O)[*:1] O=C(N[C@H](C[*:1])c1ccc(F)cc1)c1ncoc1-c1ccco1
COC(=O)C[C@@H](NC(=O)c1ncoc1-c1ccco1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)C[C@@H](NC(=O)c1ncoc1-c1ccco1)[*:1]
COC(=O)C[C@@H](NC(=O)c1ncoc1-c1ccco1)c1ccc(F)cc1 COC(=O)C[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])c1ncoc1-c1ccco1
COC(=O)C[C@@H](NC(=O)c1ncoc1-c1ccco1)c1ccc(F)cc1 c1coc(c1)[*:1] COC(=O)C[C@@H](NC(=O)c1ncoc1[*:1])c1ccc(F)cc1
C/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1)c1ccncc1 C/C(=N\N[*:1])c1ccncc1 Cn1c(=O)c2c(nc(n2Cc2ccccc2)[*:1])n(C)c1=O
C/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1)c1ccncc1 c1ccc(cc1)C[*:1] C/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1])c1ccncc1
C/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] C/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1])c1ccncc1
C/C(=N\Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1)[*:1]
CC(C)Cc1noc(CCCCC(=O)[O-])n1 O=C([O-])C[*:1] CC(C)Cc1noc(CCC[*:1])n1
CC(C)Cc1noc(CCCCC(=O)[O-])n1 CC(C)C[*:1] O=C([O-])CCCCc1nc(no1)[*:1]
CC(C)Cc1noc(CCCCC(=O)[O-])n1 O=C([O-])[*:1] CC(C)Cc1noc(CCCC[*:1])n1
CC(C)Cc1noc(CCCCC(=O)[O-])n1 O=C([O-])CC[*:1] CC(C)Cc1noc(CC[*:1])n1
CC(C)Cc1noc(CCCCC(=O)[O-])n1 CC(C)[*:1] O=C([O-])CCCCc1nc(C[*:1])no1
CN(Cc1ccc(Cl)nc1)C(=O)c1cccn1Cc1ccccc1 c1ccc(cc1)C[*:1] CN(Cc1ccc(Cl)nc1)C(=O)c1cccn1[*:1]
CN(Cc1ccc(Cl)nc1)C(=O)c1cccn1Cc1ccccc1 Clc1ccc(cn1)C[*:1] CN(C(=O)c1cccn1Cc1ccccc1)[*:1]
CN(Cc1ccc(Cl)nc1)C(=O)c1cccn1Cc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(Cl)nc1)C(=O)c1cccn1C[*:1]
CN(Cc1ccc(Cl)nc1)C(=O)c1cccn1Cc1ccccc1 Clc1ccc(cn1)[*:1] CN(C[*:1])C(=O)c1cccn1Cc1ccccc1
C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H](c2ccccc2)O1 C1CC1[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](O1)[*:1])C(=O)N[C@@H]1CC(=O)N(C1)C1CC1
Cc1cccc(-n2c(SCC(=O)N3CCNC3=O)nc3cc(Cl)ccc3c2=O)c1 O=C(C[*:1])N1CCNC1=O Cc1cccc(c1)-n1c(nc2cc(Cl)ccc2c1=O)S[*:1]
Cc1cccc(-n2c(SCC(=O)N3CCNC3=O)nc3cc(Cl)ccc3c2=O)c1 Cc1cccc(c1)[*:1] O=C(CSc1nc2cc(Cl)ccc2c(=O)n1[*:1])N1CCNC1=O
Cc1cccc(-n2c(SCC(=O)N3CCNC3=O)nc3cc(Cl)ccc3c2=O)c1 O=C1NCCN1C(=O)[*:1] Cc1cccc(c1)-n1c(nc2cc(Cl)ccc2c1=O)SC[*:1]
Cc1ccc2ncc(C(=O)OCC(F)(F)F)c(=O)n2c1 FC(F)(F)[*:1] Cc1ccc2ncc(C(=O)OC[*:1])c(=O)n2c1
Cc1ccc2ncc(C(=O)OCC(F)(F)F)c(=O)n2c1 FC(F)(F)C[*:1] Cc1ccc2ncc(C(=O)O[*:1])c(=O)n2c1
Cc1nc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)[*:1]
Cc1nc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)cs1 Fc1cccc(c1)[*:1] Cc1nc(cs1)C(=O)N1CSC[C@H]1C(=O)N[*:1]
Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)s4)C3)o2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(Nc1nnc(o1)[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)s1
Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)s4)C3)o2)n(C)n1 Clc1ccc(s1)[*:1] Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN(C3)S(=O)(=O)[*:1])o2)n(C)n1
CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CCCO1 CCCNC(=O)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])[C@@H]1CCCO1
CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCCNC(=O)c1ccc(Cl)cc1NC(=O)[*:1]
CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CCCO1 CCC[*:1] O=C(N[*:1])c1ccc(Cl)cc1NC(=O)[C@@H]1CCCO1
CC[C@@H](NC(=O)c1cccc(SCC#N)c1)c1cccc([N+](=O)[O-])c1 N#CCS[*:1] CC[C@@H](NC(=O)c1cccc(c1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@@H](NC(=O)c1cccc(SCC#N)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](NC(=O)c1cccc(c1)SCC#N)c1cccc(c1)[*:1]
CC[C@@H](NC(=O)c1cccc(SCC#N)c1)c1cccc([N+](=O)[O-])c1 N#CC[*:1] CC[C@@H](NC(=O)c1cccc(c1)S[*:1])c1cccc(c1)[N+](=O)[O-]
Cc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)NC[C@H](C)[*:1]
O=C(NCc1ccccc1F)N1CCC[C@@](O)(CO)CC1 Fc1ccccc1[*:1] O=C(NC[*:1])N1CCC[C@@](O)(CO)CC1
CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(OC)c(Cl)cc1OC Fc1ccccc1[*:1] CC[C@@H](O[*:1])C(=O)Nc1cc(OC)c(Cl)cc1OC
CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(OC)c(Cl)cc1OC Fc1ccccc1O[*:1] CC[C@@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)[*:1]
C[C@@H](Cc1cccs1)N(C)c1ncc(Br)cc1C(=O)[O-] c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)c1ncc(Br)cc1C(=O)[O-]
C[C@@H](Cc1cccs1)N(C)c1ncc(Br)cc1C(=O)[O-] O=C([O-])[*:1] C[C@@H](Cc1cccs1)N(C)c1ncc(Br)cc1[*:1]
C[C@@H](Cc1cccs1)N(C)c1ncc(Br)cc1C(=O)[O-] c1csc(c1)C[*:1] C[C@@H](N(C)c1ncc(Br)cc1C(=O)[O-])[*:1]
CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 CC(C)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1C[C@H]1c1ccc(cc1)[*:1])C1CC1
CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)[C@@H]1C[C@@H]1C(=O)NC[C@@H]([NH+](C)C)[*:1]
C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1)c1cncc(F)c1 c1ccc(cc1)C[*:1] C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O[*:1])c1cncc(F)c1
C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1)c1cncc(F)c1 Fc1cncc(c1)[*:1] C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1)[*:1]
C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1)c1cncc(F)c1 c1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1OC[*:1])c1cncc(F)c1
C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1)c1cncc(F)c1 c1ccc(cc1)CO[*:1] C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[*:1])c1cncc(F)c1
CCCOc1ncnc(N[C@H](c2cccs2)C(C)C)c1N CCC[*:1] CC(C)[C@H](Nc1ncnc(O[*:1])c1N)c1cccs1
CCCOc1ncnc(N[C@H](c2cccs2)C(C)C)c1N CC(C)[*:1] CCCOc1ncnc(N[C@H](c2cccs2)[*:1])c1N
CCCOc1ncnc(N[C@H](c2cccs2)C(C)C)c1N c1csc(c1)[*:1] CCCOc1ncnc(N[C@H](C(C)C)[*:1])c1N
CCCOc1ncnc(N[C@H](c2cccs2)C(C)C)c1N CCCO[*:1] CC(C)[C@H](Nc1ncnc(c1N)[*:1])c1cccs1
C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](C2CCCCC2)CC1 C=CC[*:1] C=CCN(C(=O)[C@@H](C)N1CC[NH+](CC1)C1CCCCC1)[*:1]
C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](CC1)[*:1]
CC(C)N(C(=O)Cn1c(=O)oc2ccccc21)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)Cn1c(=O)oc2ccccc21)[*:1]
CC(C)N(C(=O)Cn1c(=O)oc2ccccc21)C1CCC1 CC(C)[*:1] O=C(Cn1c(=O)oc2ccccc21)N(C1CCC1)[*:1]
O=C(CSCc1cccc(Cl)c1)NCCc1ccccn1 c1ccc(nc1)[*:1] O=C(CSCc1cccc(Cl)c1)NCC[*:1]
O=C(CSCc1cccc(Cl)c1)NCCc1ccccn1 Clc1cccc(c1)[*:1] O=C(CSC[*:1])NCCc1ccccn1
O=C(CSCc1cccc(Cl)c1)NCCc1ccccn1 c1ccc(C[*:1])nc1 O=C(CSCc1cccc(Cl)c1)NC[*:1]
COc1ccc(N(C(=O)c2ccc(F)c(F)c2F)C(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)N(C(=O)c1ccc(F)c(F)c1F)[*:1]
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 c1ccn(c1)[*:1] O=C(Nc1ccc2OCOc2c1)[C@@H]1CCCN(C1)c1nnc(s1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nnc(s1)-n1cccc1
Cc1ccc2ncc(C(=O)Nc3cc(NC(=O)C(C)(C)C)ccc3C)n2c1 CC(C)(C)[*:1] Cc1ccc2ncc(C(=O)Nc3cc(ccc3C)NC(=O)[*:1])n2c1
Cc1ccc2ncc(C(=O)Nc3cc(NC(=O)C(C)(C)C)ccc3C)n2c1 CC(C)(C)C(=O)N[*:1] Cc1ccc2ncc(C(=O)Nc3cc(ccc3C)[*:1])n2c1
O=C(CN(Cc1cccnc1)c1ccccc1)N1CCCC[C@@H]1CCO c1cncc(c1)[*:1] O=C(CN(C[*:1])c1ccccc1)N1CCCC[C@@H]1CCO
O=C(CN(Cc1cccnc1)c1ccccc1)N1CCCC[C@@H]1CCO c1cncc(c1)C[*:1] O=C(CN(c1ccccc1)[*:1])N1CCCC[C@@H]1CCO
O=C(CN(Cc1cccnc1)c1ccccc1)N1CCCC[C@@H]1CCO OCC[*:1] O=C(CN(Cc1cccnc1)c1ccccc1)N1CCCC[C@H]1[*:1]
O=C(CN(Cc1cccnc1)c1ccccc1)N1CCCC[C@@H]1CCO c1ccc(cc1)[*:1] O=C(CN(Cc1cccnc1)[*:1])N1CCCC[C@@H]1CCO
CS(=O)(=O)Cc1cccc(C(=O)OCc2cc(-c3ccccc3)on2)c1 CS(=O)(=O)[*:1] O=C(OCc1cc(on1)-c1ccccc1)c1cccc(c1)C[*:1]
CS(=O)(=O)Cc1cccc(C(=O)OCc2cc(-c3ccccc3)on2)c1 CS(=O)(=O)C[*:1] O=C(OCc1cc(on1)-c1ccccc1)c1cccc(c1)[*:1]
CS(=O)(=O)Cc1cccc(C(=O)OCc2cc(-c3ccccc3)on2)c1 c1ccc(cc1)[*:1] CS(=O)(=O)Cc1cccc(c1)C(=O)OCc1cc(on1)[*:1]
COc1ccnc(NC(=O)c2ccc(C(F)(F)F)nc2C)c1 FC(F)(F)[*:1] COc1ccnc(c1)NC(=O)c1ccc(nc1C)[*:1]
CCn1c(C[C@@H](C)C[C@H](C)O)nc2ccccc21 C[C@H](O)[*:1] CCn1c(C[C@@H](C)C[*:1])nc2ccccc21
CCn1c(C[C@@H](C)C[C@H](C)O)nc2ccccc21 C[C@H](O)C[*:1] CCn1c(C[C@@H](C)[*:1])nc2ccccc21
Cn1c(NC(=O)c2cccs2)c(-c2cccc(Cl)c2)c(=O)c2ccccc21 c1csc(c1)[*:1] Cn1c(NC(=O)[*:1])c(-c2cccc(Cl)c2)c(=O)c2ccccc21
Cn1c(NC(=O)c2cccs2)c(-c2cccc(Cl)c2)c(=O)c2ccccc21 Clc1cccc(c1)[*:1] Cn1c(NC(=O)c2cccs2)c(c(=O)c2ccccc21)[*:1]
Cn1c(NC(=O)c2cccs2)c(-c2cccc(Cl)c2)c(=O)c2ccccc21 O=C(N[*:1])c1cccs1 Cn1c(c(-c2cccc(Cl)c2)c(=O)c2ccccc21)[*:1]
O=C1CC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)O1 O=C1CC[C@@H](O1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)[*:1]
O=C1CC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)O1 c1ccc(cc1)[*:1] O=C1CC[C@H](O1)C(=O)N[C@@H]1CCCC[C@@H]1C[*:1]
O=C1CC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)O1 c1ccc(cc1)C[*:1] O=C1CC[C@H](O1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
O=C([O-])c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)ccc1Cl O=C([O-])[*:1] O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1c1ccc(Cl)c(c1)[*:1])[C@@H]1C[C@H]31
C[C@H]1[NH+]=c2ccc(C(=O)[O-])cc2=[NH+]1 O=C([O-])[*:1] C[C@H]1[NH+]=c2ccc(cc2=[NH+]1)[*:1]
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCN1CCOCC1 O=C(NC1CCCCC1)[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1CCCN1CCOCC1)[*:1]
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCN1CCOCC1 C1CCC(CC1)[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1CCCN1CCOCC1)C(=O)N[*:1]
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCN1CCOCC1 C1CN(CCO1)[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1CCC[*:1])C(=O)NC1CCCCC1
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCN1CCOCC1 C1CN(CCO1)CC[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1C[*:1])C(=O)NC1CCCCC1
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1CC[*:1])C(=O)NC1CCCCC1
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCN1CCOCC1 C(CN1CCOCC1)C[*:1] C[C@@]1(Cn2c(cc3ccccc32)C(=O)N1[*:1])C(=O)NC1CCCCC1
Cc1ccc(CCNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)cc1 Cc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCC[*:1]
Cc1ccc(CCNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)cc1 Cc1n[nH]c(C)c1[*:1] Cc1ccc(cc1)CCNC(=O)[C@H](C)C[*:1]
COc1ccc(C2=CCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)C1=CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(C2=CCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1cccnc1)N1CC=C(CC1)[*:1]
Cc1c(C(=O)Oc2ccc([N-]S(C)(=O)=O)cc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Oc1ccc(cc1)[N-]S(C)(=O)=O
CN(C)c1ncc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)s1 c1coc(c1)[*:1] CN(C)c1ncc(CN2CCOC[C@H]2C[C@H](O)[*:1])s1
CN(C)c1ncc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)s1 O[C@H](c1ccco1)[*:1] CN(C)c1ncc(CN2CCOC[C@H]2C[*:1])s1
CN(C)c1ncc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)s1 CN(C)[*:1] O[C@@H](C[C@@H]1COCCN1Cc1cnc(s1)[*:1])c1ccco1
Cc1nnc(SC[C@H](CS)c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1nnc(SC[C@H](CS)[*:1])n1C
COc1cccc(C(=O)N2CCCN(C(=O)Cc3c(C)noc3C)CC2)c1 COc1cccc(c1)[*:1] Cc1noc(C)c1CC(=O)N1CCCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCCN(C(=O)Cc3c(C)noc3C)CC2)c1 Cc1noc(C)c1[*:1] COc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)C[*:1]
COc1cccc(C(=O)N2CCCN(C(=O)Cc3c(C)noc3C)CC2)c1 Cc1noc(C)c1C[*:1] COc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)[*:1]
CCC[C@H](NC(=O)Cn1cccc1C(=O)[O-])c1cccs1 CCC[*:1] O=C(Cn1cccc1C(=O)[O-])N[C@H](c1cccs1)[*:1]
CCC[C@H](NC(=O)Cn1cccc1C(=O)[O-])c1cccs1 O=C([O-])[*:1] CCC[C@H](NC(=O)Cn1cccc1[*:1])c1cccs1
CCC[C@H](NC(=O)Cn1cccc1C(=O)[O-])c1cccs1 c1csc(c1)[*:1] CCC[C@H](NC(=O)Cn1cccc1C(=O)[O-])[*:1]
CC(C)N1CCO[C@H]([C@H](O)[C@@H]2CCOC3(CCCC3)C2)C1 CC(C)[*:1] O[C@@H]([C@@H]1CN(CCO1)[*:1])[C@@H]1CCOC2(CCCC2)C1
C[C@@H](C(=O)NCC(F)(F)F)N1CCN(C(=O)c2cccc(F)c2)CC1 FC(F)(F)C[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1cccc(F)c1
C[C@@H](C(=O)NCC(F)(F)F)N1CCN(C(=O)c2cccc(F)c2)CC1 FC(F)(F)[*:1] C[C@@H](C(=O)NC[*:1])N1CCN(CC1)C(=O)c1cccc(F)c1
C[C@@H](C(=O)NCC(F)(F)F)N1CCN(C(=O)c2cccc(F)c2)CC1 O=C(NCC(F)(F)F)[*:1] C[C@@H](N1CCN(CC1)C(=O)c1cccc(F)c1)[*:1]
C[C@@H](C(=O)NCC(F)(F)F)N1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] C[C@@H](C(=O)NCC(F)(F)F)N1CCN(CC1)C(=O)[*:1]
CCNc1cc(C)ccc1C(=O)N(C)C[C@@H]1CCCCO1 CCN[*:1] Cc1ccc(C(=O)N(C)C[C@@H]2CCCCO2)c(c1)[*:1]
CCNc1cc(C)ccc1C(=O)N(C)C[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] CCNc1cc(C)ccc1C(=O)N(C)C[*:1]
CCNc1cc(C)ccc1C(=O)N(C)C[C@@H]1CCCCO1 C1CC[C@@H](C[*:1])OC1 CCNc1cc(C)ccc1C(=O)N(C)[*:1]
C[C@H]1OCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C1CC1 C1CC1[*:1] C[C@H]1OCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@@H]1C(=O)N[C@@H](C[*:1])C1CC1
N=C(S)C[NH+]1CCOCC1 N=C(S)[*:1] C1C[NH+](CCO1)C[*:1]
CCOCCN(C)C(=O)C[C@@H]1CCCc2cc(OC)ccc21 CCOCC[*:1] COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)[*:1]
CCOCCN(C)C(=O)C[C@@H]1CCCc2cc(OC)ccc21 CCO[*:1] COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)C[C@@H]1CCCc2cc(OC)ccc21 CCOC[*:1] COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)C[*:1]
Cc1cc(C(=O)CSc2nncn2C)c(C)n1CCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1cc(C(=O)CSc2nncn2C)c(C)n1C[*:1]
Cc1cc(C(=O)CSc2nncn2C)c(C)n1CCc1ccc(F)cc1 Cn1cnnc1[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1CCc1ccc(F)cc1
Cc1cc(C(=O)CSc2nncn2C)c(C)n1CCc1ccc(F)cc1 Cn1cnnc1S[*:1] Cc1cc(C(=O)C[*:1])c(C)n1CCc1ccc(F)cc1
Cc1cc(C(=O)CSc2nncn2C)c(C)n1CCc1ccc(F)cc1 Cn1cnnc1SC[*:1] Cc1cc(C(=O)[*:1])c(C)n1CCc1ccc(F)cc1
Cc1cc(C(=O)CSc2nncn2C)c(C)n1CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)CSc2nncn2C)c(C)n1CC[*:1]
CCCCNS(=O)(=O)c1ccsc1C(=O)[O-] CCC[*:1] O=C([O-])c1sccc1S(=O)(=O)NC[*:1]
CCCCNS(=O)(=O)c1ccsc1C(=O)[O-] O=C([O-])[*:1] CCCCNS(=O)(=O)c1ccsc1[*:1]
CCCCNS(=O)(=O)c1ccsc1C(=O)[O-] CCCC[*:1] O=C([O-])c1sccc1S(=O)(=O)N[*:1]
CCCc1ccc(S(=O)(=O)N2CCOC[C@@H]2CCO)cc1 OCC[*:1] CCCc1ccc(cc1)S(=O)(=O)N1CCOC[C@H]1[*:1]
CCCc1ccc(S(=O)(=O)N2CCOC[C@@H]2CCO)cc1 CCC[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCOC[C@@H]1CCO
CC(C)[C@H](C)N(C(=O)NCc1cn(-c2ccccc2)nn1)C1CC1 CC(C)[*:1] C[C@H](N(C(=O)NCc1cn(nn1)-c1ccccc1)C1CC1)[*:1]
CC(C)[C@H](C)N(C(=O)NCc1cn(-c2ccccc2)nn1)C1CC1 c1ccc(cc1)[*:1] CC(C)[C@H](C)N(C(=O)NCc1cn(nn1)[*:1])C1CC1
CC(C)[C@H](C)N(C(=O)NCc1cn(-c2ccccc2)nn1)C1CC1 C1CC1[*:1] CC(C)[C@H](C)N(C(=O)NCc1cn(nn1)-c1ccccc1)[*:1]
CCNC(=O)c1ccc(N(C)CCS(C)(=O)=O)[nH+]n1 CS(=O)(=O)CC[*:1] CCNC(=O)c1ccc([nH+]n1)N(C)[*:1]
CCNC(=O)c1ccc(N(C)CCS(C)(=O)=O)[nH+]n1 CCNC(=O)[*:1] CN(CCS(C)(=O)=O)c1ccc(n[nH+]1)[*:1]
CCNC(=O)c1ccc(N(C)CCS(C)(=O)=O)[nH+]n1 CS(=O)(=O)C[*:1] CCNC(=O)c1ccc([nH+]n1)N(C)C[*:1]
CCNC(=O)c1ccc(N(C)CCS(C)(=O)=O)[nH+]n1 CS(=O)(=O)[*:1] CCNC(=O)c1ccc([nH+]n1)N(C)CC[*:1]
CCCNC(=O)CCNC(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 CCCNC(=O)CC[*:1] O=C(N[C@@H]1C[C@H]2CCCc3cccc1c32)N[*:1]
CCCNC(=O)CCNC(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 CCC[*:1] O=C(CCNC(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32)N[*:1]
CCCNC(=O)CCNC(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 CCCNC(=O)[*:1] O=C(NCC[*:1])N[C@@H]1C[C@H]2CCCc3cccc1c32
CCCNC(=O)CCNC(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 CCCNC(=O)C[*:1] O=C(NC[*:1])N[C@@H]1C[C@H]2CCCc3cccc1c32
COc1ccccc1C1=NO[C@@H](C(=O)NC(C)(C)C)C1 CC(C)(C)[*:1] COc1ccccc1C1C[C@@H](ON=1)C(=O)N[*:1]
C[C@H]1CSC(SCC(=O)N2CCC(Cc3ccccc3)CC2)=N1 c1ccc(cc1)C[*:1] C[C@H]1CSC(=N1)SCC(=O)N1CCC(CC1)[*:1]
C[C@H]1CSC(SCC(=O)N2CCC(Cc3ccccc3)CC2)=N1 c1ccc(cc1)[*:1] C[C@H]1CSC(=N1)SCC(=O)N1CCC(CC1)C[*:1]
CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 CN(C)S(=O)(=O)[*:1] O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(ccc1N1CCOCC1)[*:1]
CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 C1CN(CCO1)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2)[*:1]
Cc1c(C(=O)OCc2nnsc2Cl)sc2nc3n(c(=O)c12)CCC3 Clc1snnc1C[*:1] Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)O[*:1]
Cc1c(C(=O)OCc2nnsc2Cl)sc2nc3n(c(=O)c12)CCC3 Clc1snnc1[*:1] Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)OC[*:1]
COC(=O)Nc1cccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c1 c1ccc(cc1)S[*:1] COC(=O)Nc1cccc(c1)C(=O)N1CC[C@@H](C1)C[*:1]
COC(=O)Nc1cccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c1 COC(=O)N[*:1] O=C(c1cccc(c1)[*:1])N1CC[C@H](CSc2ccccc2)C1
COC(=O)Nc1cccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c1 c1ccc(cc1)[*:1] COC(=O)Nc1cccc(c1)C(=O)N1CC[C@H](CS[*:1])C1
COC(=O)Nc1cccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c1 c1ccc(cc1)SC[*:1] COC(=O)Nc1cccc(c1)C(=O)N1CC[C@H](C1)[*:1]
COc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)N[C@H](c1cccnc1)[*:1]
COc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)C(=O)N[C@H](c1ccc(C)cc1)[*:1]
COc1ccc(Oc2cncc(C3CC[NH+](CC(=O)N(C)C)CC3)n2)cc1 COc1ccc(cc1)[*:1] CN(C)C(=O)C[NH+]1CCC(CC1)c1cncc(n1)O[*:1]
COc1ccc(Oc2cncc(C3CC[NH+](CC(=O)N(C)C)CC3)n2)cc1 COc1ccc(cc1)O[*:1] CN(C)C(=O)C[NH+]1CCC(CC1)c1cncc(n1)[*:1]
COc1ccc(Oc2cncc(C3CC[NH+](CC(=O)N(C)C)CC3)n2)cc1 CN(C)C(=O)C[*:1] COc1ccc(cc1)Oc1cncc(n1)C1CC[NH+](CC1)[*:1]
COc1ccc(Oc2cncc(C3CC[NH+](CC(=O)N(C)C)CC3)n2)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)Oc1cncc(n1)C1CC[NH+](CC1)C[*:1]
CO[C@@]1(C)C[C@H](NC(=O)NCc2ccnc(OCC(F)F)c2)C1(C)C FC(F)CO[*:1] CO[C@@]1(C)C[C@H](NC(=O)NCc2ccnc(c2)[*:1])C1(C)C
CO[C@@]1(C)C[C@H](NC(=O)NCc2ccnc(OCC(F)F)c2)C1(C)C FC(F)C[*:1] CO[C@@]1(C)C[C@H](NC(=O)NCc2ccnc(c2)O[*:1])C1(C)C
CO[C@@]1(C)C[C@H](NC(=O)NCc2ccnc(OCC(F)F)c2)C1(C)C FC(F)[*:1] CO[C@@]1(C)C[C@H](NC(=O)NCc2ccnc(c2)OC[*:1])C1(C)C
Cc1ccc(-c2c(C(=O)[O-])nnn2Cc2c(F)cccc2Cl)cc1 Fc1cccc(Cl)c1[*:1] Cc1ccc(cc1)-c1c(nnn1C[*:1])C(=O)[O-]
Cc1ccc(-c2c(C(=O)[O-])nnn2Cc2c(F)cccc2Cl)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1c(nnn1Cc1c(F)cccc1Cl)[*:1]
Cc1ccc(-c2c(C(=O)[O-])nnn2Cc2c(F)cccc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C([O-])c1nnn(Cc2c(F)cccc2Cl)c1[*:1]
CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H]1CCCN1C(=O)c1ccccc1C O=C(NC1CCCCC1)[*:1] CCn1c(nnc1[C@@H]1CCCN1C(=O)c1ccccc1C)SC[*:1]
CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H]1CCCN1C(=O)c1ccccc1C O=C(C[*:1])NC1CCCCC1 CCn1c(nnc1[C@@H]1CCCN1C(=O)c1ccccc1C)S[*:1]
CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H]1CCCN1C(=O)c1ccccc1C C1CCC(CC1)[*:1] CCn1c(nnc1[C@@H]1CCCN1C(=O)c1ccccc1C)SCC(=O)N[*:1]
CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H]1CCCN1C(=O)c1ccccc1C Cc1ccccc1[*:1] CCn1c(nnc1[C@@H]1CCCN1C(=O)[*:1])SCC(=O)NC1CCCCC1
CC(=O)N1CCC(CCC(=O)N[C@H](C)Cc2ccc(C)s2)CC1 Cc1ccc(C[*:1])s1 CC(=O)N1CCC(CCC(=O)N[C@H](C)[*:1])CC1
CC(=O)N1CCC(CCC(=O)N[C@H](C)Cc2ccc(C)s2)CC1 Cc1ccc(s1)[*:1] CC(=O)N1CCC(CCC(=O)N[C@H](C)C[*:1])CC1
CC(C)(C)c1ccc(CSCC(=O)N2CCC(C(N)=O)CC2)cc1 NC(=O)[*:1] CC(C)(C)c1ccc(cc1)CSCC(=O)N1CCC(CC1)[*:1]
CC(C)(C)c1ccc(CSCC(=O)N2CCC(C(N)=O)CC2)cc1 CC(C)(C)[*:1] NC(=O)C1CCN(CC1)C(=O)CSCc1ccc(cc1)[*:1]
CC(C)N(CC1CC[NH2+]CC1)c1ccc(Br)cc1[N+](=O)[O-] CC(C)[*:1] O=[N+]([O-])c1cc(Br)ccc1N(CC1CC[NH2+]CC1)[*:1]
CC(C)N(CC1CC[NH2+]CC1)c1ccc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)N(CC1CC[NH2+]CC1)c1ccc(Br)cc1[*:1]
C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)CCc1ncc(o1)-c1ccc(F)cc1)[*:1]
C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CCc1ncc(o1)[*:1])c1ccc(Cl)cc1
CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)C1 Cc1ccc(cc1)[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C([C@@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(COc1ccccc1)N1C[C@H](Oc2ccccc21)[*:1]
O=C([C@@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1)N1CCCCC1 c1ccc(cc1)[*:1] O=C([C@@H]1CN(C(=O)CO[*:1])c2ccccc2O1)N1CCCCC1
O=C([C@@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1)N1CCCCC1 c1ccc(cc1)OC[*:1] O=C([C@@H]1CN(C(=O)[*:1])c2ccccc2O1)N1CCCCC1
O=C([C@@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1)N1CCCCC1 c1ccc(cc1)O[*:1] O=C([C@@H]1CN(C(=O)C[*:1])c2ccccc2O1)N1CCCCC1
Cc1cccc(N2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)c1 Cc1cccc(c1)[*:1] O=C1NC(=O)[C@H](CCC(=O)N2CCN(CC2)[*:1])N1
COCCNCc1cc(=O)[nH]c([C@]2(C)CCCO2)n1 COC[*:1] C[C@]1(CCCO1)c1nc(cc(=O)[nH]1)CNC[*:1]
COCCNCc1cc(=O)[nH]c([C@]2(C)CCCO2)n1 COCCNC[*:1] C[C@]1(CCCO1)c1nc(cc(=O)[nH]1)[*:1]
COCCNCc1cc(=O)[nH]c([C@]2(C)CCCO2)n1 COCCN[*:1] C[C@]1(CCCO1)c1nc(cc(=O)[nH]1)C[*:1]
COCCNCc1cc(=O)[nH]c([C@]2(C)CCCO2)n1 COCC[*:1] C[C@]1(CCCO1)c1nc(cc(=O)[nH]1)CN[*:1]
COc1ccc(NC(=O)C[C@H](c2ccc(F)cc2)n2cccc2)cc1Cl Fc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)C[C@H](n1cccc1)[*:1]
COc1ccc(NC(=O)C[C@H](c2ccc(F)cc2)n2cccc2)cc1Cl c1ccn(c1)[*:1] COc1ccc(cc1Cl)NC(=O)C[C@H](c1ccc(F)cc1)[*:1]
Cc1cc(NC(=O)CCc2ccco2)[nH]n1 c1coc(c1)[*:1] Cc1cc(NC(=O)CC[*:1])[nH]n1
O=C([O-])CSc1nc2ccc(Cl)cc2c(=O)n1CC1CCCCC1 O=C([O-])[*:1] O=c1c2cc(Cl)ccc2nc(SC[*:1])n1CC1CCCCC1
O=C([O-])CSc1nc2ccc(Cl)cc2c(=O)n1CC1CCCCC1 C1CCC(CC1)C[*:1] O=C([O-])CSc1nc2ccc(Cl)cc2c(=O)n1[*:1]
O=C([O-])CSc1nc2ccc(Cl)cc2c(=O)n1CC1CCCCC1 O=C([O-])C[*:1] O=c1c2cc(Cl)ccc2nc(S[*:1])n1CC1CCCCC1
O=C([O-])CSc1nc2ccc(Cl)cc2c(=O)n1CC1CCCCC1 O=C([O-])CS[*:1] O=c1c2cc(Cl)ccc2nc(n1CC1CCCCC1)[*:1]
O=C([O-])CSc1nc2ccc(Cl)cc2c(=O)n1CC1CCCCC1 C1CCC(CC1)[*:1] O=C([O-])CSc1nc2ccc(Cl)cc2c(=O)n1C[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(C(F)(F)F)CC1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)N1CCC(CC1)C(F)(F)F)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(C(F)(F)F)CC1 FC(F)(F)[*:1] Cc1cc(C)c(c(C)c1C(=O)N1CCC(CC1)[*:1])[N+](=O)[O-]
CNS(=O)(=O)c1ccc(C)c(NC(=O)N2CCc3cc(F)ccc3C2)c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)N1CCc2cc(F)ccc2C1)[*:1]
Cc1ccc2nc(NC(=O)CSc3nnc(C)n3N)sc2c1 Cc1nnc(n1N)[*:1] Cc1ccc2nc(NC(=O)CS[*:1])sc2c1
COc1cccc(CNC(=O)CNC(=O)c2cc(C)n(C)n2)c1 Cc1cc(nn1C)[*:1] COc1cccc(c1)CNC(=O)CNC(=O)[*:1]
C=CCNc1ncnc(Nc2ccc3c(c2)OCO3)c1N C=CCN[*:1] Nc1c(ncnc1[*:1])Nc1ccc2OCOc2c1
C=CCNc1ncnc(Nc2ccc3c(c2)OCO3)c1N C=CC[*:1] Nc1c(ncnc1N[*:1])Nc1ccc2OCOc2c1
Cc1nc(C)c(C(=O)N(CCC#N)C(C)C)o1 N#CCC[*:1] Cc1nc(C)c(o1)C(=O)N(C(C)C)[*:1]
Cc1nc(C)c(C(=O)N(CCC#N)C(C)C)o1 N#CC[*:1] Cc1nc(C)c(o1)C(=O)N(C[*:1])C(C)C
Cc1nc(C)c(C(=O)N(CCC#N)C(C)C)o1 CC(C)[*:1] Cc1nc(C)c(o1)C(=O)N(CCC#N)[*:1]
Cc1noc(CCNC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)n1 Cc1noc(C[*:1])n1 Cc1ccc(cc1S(C)(=O)=O)NC(=O)NC[*:1]
Cc1noc(CCNC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)n1 Cc1noc(n1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)NCC[*:1]
Cc1noc(CCNC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)n1 CS(=O)(=O)[*:1] Cc1noc(CCNC(=O)Nc2ccc(C)c(c2)[*:1])n1
O=C1CN(C2CCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1CN(C2CCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
O=C1CN(C2CCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 C1CCC(C1)[*:1] O=C1CN([C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)[*:1]
C[C@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)C1=Cc2cc(Br)ccc2OC1)[*:1]
CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C CCC[*:1] CC1CC[NH+](CC1)Cc1nc2cc(ccc2n1C)NC(=O)C[*:1]
CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C CCCC[*:1] CC1CC[NH+](CC1)Cc1nc2cc(ccc2n1C)NC(=O)[*:1]
CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C CCCCC(=O)N[*:1] CC1CC[NH+](CC1)Cc1nc2cc(ccc2n1C)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)Cc1c(C)noc1Cl CCS(=O)(=O)C[*:1] Cc1noc(Cl)c1CC(=O)N[C@@H](C)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)Cc1c(C)noc1Cl CCS(=O)(=O)[*:1] Cc1noc(Cl)c1CC(=O)N[C@@H](C)C[*:1]
COc1cccc(CNS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)c1 COc1cccc(c1)[*:1] Cc1cc2c(cc1S(=O)(=O)NC[*:1])n(C)c(=O)n2C
C=CCN1C(=O)c2ccc(C(=O)Nn3c(C)nc4ccccc4c3=O)cc2C1=O C=CC[*:1] Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CCN(c1cncc(C(=O)OC)n1)C1C[NH2+]C1 COC(=O)[*:1] CCN(c1cncc(n1)[*:1])C1C[NH2+]C1
O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 FC(F)(F)[*:1] O=S(=O)(Nc1ccc(Cl)c(c1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCOCC1
O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=S(=O)(Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(cc1)[*:1]
C#Cc1cc(F)c(NC(=O)N[C@H]2CCCC[C@H]2C(N)=O)c(F)c1 NC(=O)[*:1] C#Cc1cc(F)c(NC(=O)N[C@H]2CCCC[C@@H]2[*:1])c(F)c1
O=C(Cn1c(=O)oc2ccccc21)NCC[NH+]1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(Cn1c(=O)oc2ccccc21)NCC[NH+]1CCN(CC1)[*:1]
CCCNC(=O)c1ccccc1NC(=O)c1ccc(OC(C)C)cc1 CC(C)O[*:1] CCCNC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CCCNC(=O)c1ccccc1NC(=O)c1ccc(OC(C)C)cc1 CCC[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
CCCNC(=O)c1ccccc1NC(=O)c1ccc(OC(C)C)cc1 CC(C)[*:1] CCCNC(=O)c1ccccc1NC(=O)c1ccc(cc1)O[*:1]
CCCNC(=O)c1ccccc1NC(=O)c1ccc(OC(C)C)cc1 CCCNC(=O)[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
CC(=O)[C@]1(C)CC2=C(CCCC2(C)C)C[C@@H]1C CC(=O)[*:1] C[C@H]1CC2CCCC(C)(C)C=2C[C@]1(C)[*:1]
CCCc1ncc(C(=O)NNC(=O)CSC)s1 CSC[*:1] CCCc1ncc(s1)C(=O)NNC(=O)[*:1]
CCCc1ncc(C(=O)NNC(=O)CSC)s1 CCC[*:1] CSCC(=O)NNC(=O)c1cnc(s1)[*:1]
NC(=O)C[C@@H](NC(=O)Nc1cncc2ccccc12)C1CCOCC1 NC(=O)[*:1] O=C(Nc1cncc2ccccc12)N[C@H](C[*:1])C1CCOCC1
NC(=O)C[C@@H](NC(=O)Nc1cncc2ccccc12)C1CCOCC1 C1CC(CCO1)[*:1] NC(=O)C[C@@H](NC(=O)Nc1cncc2ccccc12)[*:1]
NC(=O)C[C@@H](NC(=O)Nc1cncc2ccccc12)C1CCOCC1 NC(=O)C[*:1] O=C(Nc1cncc2ccccc12)N[C@@H](C1CCOCC1)[*:1]
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Br)c1)c1ccco1 C1CO[C@@H](C1)C[*:1] O=C(C1=C(O)C(=O)N([C@H]1c1cccc(Br)c1)[*:1])c1ccco1
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Br)c1)c1ccco1 c1coc(c1)[*:1] O=C1C(O)=C(C(=O)[*:1])[C@H](c2cccc(Br)c2)N1C[C@@H]1CCCO1
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Br)c1)c1ccco1 C1CO[C@@H](C1)[*:1] O=C(C1=C(O)C(=O)N(C[*:1])[C@H]1c1cccc(Br)c1)c1ccco1
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Br)c1)c1ccco1 Brc1cccc(c1)[*:1] O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1[*:1])c1ccco1
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Br)c1)c1ccco1 O=C(c1ccco1)[*:1] O=C1C(O)=C([C@H](c2cccc(Br)c2)N1C[C@@H]1CCCO1)[*:1]
CCCCNC(=O)C(=O)Nc1ccc(OCC)c(Cl)c1 CCC[*:1] CCOc1ccc(cc1Cl)NC(=O)C(=O)NC[*:1]
CCCCNC(=O)C(=O)Nc1ccc(OCC)c(Cl)c1 CCO[*:1] CCCCNC(=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCCNC(=O)C(=O)Nc1ccc(OCC)c(Cl)c1 CCCC[*:1] CCOc1ccc(cc1Cl)NC(=O)C(=O)N[*:1]
Cc1ccc(NC(=S)NC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=S)NC(=O)c2cccc(F)c2)c(c1)[*:1]
Cc1ccc(NC(=S)NC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 Fc1cccc(c1)[*:1] Cc1ccc(NC(=S)NC(=O)[*:1])c(c1)[N+](=O)[O-]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCc1cnn(C)c1 CC(C)NC(=O)[*:1] Cc1cc(ccc1NC(=O)C(=O)NCc1cnn(C)c1)[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCc1cnn(C)c1 CC(C)[*:1] Cc1cc(ccc1NC(=O)C(=O)NCc1cnn(C)c1)C(=O)N[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCc1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1cc(ccc1NC(=O)C(=O)NC[*:1])C(=O)NC(C)C
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCc1cnn(C)c1 Cn1cc(cn1)C[*:1] Cc1cc(ccc1NC(=O)C(=O)N[*:1])C(=O)NC(C)C
C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)[*:1]
C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccccc1[*:1])c1ccc(F)cc1
Cc1ccc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)N[*:1])c1ccc(F)cc1
Cc1ccc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)N1CCC(CC1)NC(=O)[*:1]
COc1ccccc1N[C@H](C[NH3+])CC(=O)N(C)C CN(C)C(=O)[*:1] COc1ccccc1N[C@H](C[NH3+])C[*:1]
COc1ccccc1N[C@H](C[NH3+])CC(=O)N(C)C CN(C)C(=O)C[*:1] COc1ccccc1N[C@H](C[NH3+])[*:1]
O=C(CSCC(F)(F)F)N1CCN(CC2CCCC2)C(=O)C1 FC(F)(F)[*:1] O=C(CSC[*:1])N1CCN(CC2CCCC2)C(=O)C1
O=C(CSCC(F)(F)F)N1CCN(CC2CCCC2)C(=O)C1 C1CCC(C1)C[*:1] O=C(CSCC(F)(F)F)N1CCN(C(=O)C1)[*:1]
O=C(CSCC(F)(F)F)N1CCN(CC2CCCC2)C(=O)C1 FC(F)(F)C[*:1] O=C(CS[*:1])N1CCN(CC2CCCC2)C(=O)C1
O=C(CSCC(F)(F)F)N1CCN(CC2CCCC2)C(=O)C1 FC(F)(F)CSC[*:1] O=C1CN(CCN1CC1CCCC1)C(=O)[*:1]
O=C(CSCC(F)(F)F)N1CCN(CC2CCCC2)C(=O)C1 FC(F)(F)CS[*:1] O=C(C[*:1])N1CCN(CC2CCCC2)C(=O)C1
O=C(CSCC(F)(F)F)N1CCN(CC2CCCC2)C(=O)C1 C1CCC(C1)[*:1] O=C(CSCC(F)(F)F)N1CCN(C[*:1])C(=O)C1
CCOc1ccc(CC(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@H]3N2C)cc1 CCO[*:1] CN1/C(=N/C(=O)Cc2ccc(cc2)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
NC(=O)/C=C\c1ccc(Cl)cc1 NC(=O)[*:1] Clc1ccc(C=C[*:1])cc1
COc1cc(OC)c(NC(=O)[C@@H]2CS[C@]3(c4cccs4)CCC(=O)N23)cc1Cl c1csc(c1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)[C@@H]1CS[C@@]2(CCC(=O)N12)[*:1]
O=C1NCCCC[C@@H]1Sc1nnc(-c2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] O=C1NCCCC[C@@H]1Sc1nnc(o1)[*:1]
Cc1ccc(-n2cnnn2)cc1N[C@@H]1CCCC1(C)C c1nnnn1[*:1] Cc1ccc(cc1N[C@@H]1CCCC1(C)C)[*:1]
CCC(CC)n1ccc(C[C@@H](C[NH3+])c2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] CCC(CC)n1ccc(C[C@@H](C[NH3+])[*:1])n1
CCC(CC)n1ccc(C[C@@H](C[NH3+])c2ccc(Br)cc2)n1 CCC(CC)[*:1] [NH3+]C[C@H](Cc1ccn(n1)[*:1])c1ccc(Br)cc1
CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCc2ccsc2)cc1 c1cc(cs1)CC[*:1] CC(=O)Nc1ccc(cc1)S[C@H](C)C(=O)N[*:1]
CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCc2ccsc2)cc1 CC(=O)N[*:1] C[C@@H](Sc1ccc(cc1)[*:1])C(=O)NCCc1ccsc1
CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCc2ccsc2)cc1 c1cc(cs1)C[*:1] CC(=O)Nc1ccc(cc1)S[C@H](C)C(=O)NC[*:1]
CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCc2ccsc2)cc1 c1cc(cs1)[*:1] CC(=O)Nc1ccc(cc1)S[C@H](C)C(=O)NCC[*:1]
Cc1nccc(-c2cccc(NC(=O)N3C[C@H]4CCC[C@@]4(CO)C3)c2)n1 Cc1nccc(n1)[*:1] O=C(Nc1cccc(c1)[*:1])N1C[C@H]2CCC[C@@]2(CO)C1
O=C(C[n+]1ccc(C(=O)NCCO)cc1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(C[n+]1ccc(cc1)C(=O)NCCO)c1ccc(cc1)[*:1]
O=C(C[n+]1ccc(C(=O)NCCO)cc1)c1ccc(-c2ccccc2)cc1 O=C(NCCO)[*:1] O=C(C[n+]1ccc(cc1)[*:1])c1ccc(cc1)-c1ccccc1
O=C(C[n+]1ccc(C(=O)NCCO)cc1)c1ccc(-c2ccccc2)cc1 OCC[*:1] O=C(C[n+]1ccc(cc1)C(=O)N[*:1])c1ccc(cc1)-c1ccccc1
Cc1ccc(N[C@H]2c3ncccc3C(=O)N2Cc2cccs2)c(Br)c1 c1csc(c1)[*:1] Cc1ccc(N[C@H]2c3ncccc3C(=O)N2C[*:1])c(Br)c1
Cc1ccc(N[C@H]2c3ncccc3C(=O)N2Cc2cccs2)c(Br)c1 c1csc(c1)C[*:1] Cc1ccc(N[C@H]2c3ncccc3C(=O)N2[*:1])c(Br)c1
Cc1ccc(N[C@H]2c3ncccc3C(=O)N2Cc2cccs2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C1c2cccnc2[C@H](N[*:1])N1Cc1cccs1
CCN(CC(C)(C)O)C(=O)C(C)(C)c1cccc(Br)c1 CC(C)(O)C[*:1] CCN(C(=O)C(C)(C)c1cccc(Br)c1)[*:1]
CCN(CC(C)(C)O)C(=O)C(C)(C)c1cccc(Br)c1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)C(C)(C)c1cccc(Br)c1
O=C(C=C1CCSCC1)NNC(=O)Cc1ccsc1 c1cc(cs1)[*:1] O=C(C=C1CCSCC1)NNC(=O)C[*:1]
O=C(C=C1CCSCC1)NNC(=O)Cc1ccsc1 c1cc(cs1)C[*:1] O=C(C=C1CCSCC1)NNC(=O)[*:1]
C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)Nc3ccc4c(c3)OCCO4)c1)c1ccccc1O2 c1cc2OCCOc2cc1[*:1] C[C@]12C[C@H](NC(=O)N1c1cccc(c1)C(=O)N[*:1])c1ccccc1O2
CCOc1ccccc1CN(C(=O)c1cn(C)c2ccc(C)cc2c1=O)C1CC1 CCO[*:1] Cc1ccc2c(c1)c(=O)c(cn2C)C(=O)N(Cc1ccccc1[*:1])C1CC1
CCOc1ccccc1CN(C(=O)c1cn(C)c2ccc(C)cc2c1=O)C1CC1 CCOc1ccccc1[*:1] Cc1ccc2c(c1)c(=O)c(cn2C)C(=O)N(C[*:1])C1CC1
CCOc1ccccc1CN(C(=O)c1cn(C)c2ccc(C)cc2c1=O)C1CC1 C1CC1[*:1] CCOc1ccccc1CN(C(=O)c1cn(C)c2ccc(C)cc2c1=O)[*:1]
Cc1cc(C)c2c([O-])nc(SCC(=O)NCCCC(C)C)nc2n1 CC(C)C[*:1] Cc1cc(C)c2c([O-])nc(nc2n1)SCC(=O)NCC[*:1]
Cc1cc(C)c2c([O-])nc(SCC(=O)NCCCC(C)C)nc2n1 CC(C)[*:1] Cc1cc(C)c2c([O-])nc(nc2n1)SCC(=O)NCCC[*:1]
Cc1cc(C)c2c([O-])nc(SCC(=O)NCCCC(C)C)nc2n1 CC(C)CCC[*:1] Cc1cc(C)c2c([O-])nc(nc2n1)SCC(=O)N[*:1]
Cc1cc(C)c2c([O-])nc(SCC(=O)NCCCC(C)C)nc2n1 CC(C)CC[*:1] Cc1cc(C)c2c([O-])nc(nc2n1)SCC(=O)NC[*:1]
O=C(CNC(=O)[C@H]1Cc2ccccc2CN1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CNC(=O)[C@H]1Cc2ccccc2CN1)N[*:1]
Cc1c(CNc2nc3c(cc2C(N)=O)CCC3)cnn1C NC(=O)[*:1] Cc1c(cnn1C)CNc1nc2CCCc2cc1[*:1]
Cc1c(CNc2nc3c(cc2C(N)=O)CCC3)cnn1C Cc1c(cnn1C)[*:1] NC(=O)c1cc2CCCc2nc1NC[*:1]
CCCCOCCCNC(=O)N1CCC2(CC1)OCCO2 CCC[*:1] O=C(NCCCOC[*:1])N1CCC2(CC1)OCCO2
CCCCOCCCNC(=O)N1CCC2(CC1)OCCO2 CCCC[*:1] O=C(NCCCO[*:1])N1CCC2(CC1)OCCO2
CCCCOCCCNC(=O)N1CCC2(CC1)OCCO2 CCCCOCC[*:1] O=C(NC[*:1])N1CCC2(CC1)OCCO2
CCCCOCCCNC(=O)N1CCC2(CC1)OCCO2 CCCCOC[*:1] O=C(NCC[*:1])N1CCC2(CC1)OCCO2
CCCCOCCCNC(=O)N1CCC2(CC1)OCCO2 CCCCO[*:1] O=C(NCCC[*:1])N1CCC2(CC1)OCCO2
CC(C)[NH2+]C[C@H](C)CN1CCO[C@H](C#N)C1 CC(C)[*:1] C[C@@H](C[NH2+][*:1])CN1CCO[C@H](C#N)C1
COc1ccc(OC)c(N2/C(=N\C(=O)Cc3ccc(C)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 Cc1ccc(cc1)C[*:1] COc1ccc(OC)c(c1)N1/C(=N\C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
COc1ccc(OC)c(N2/C(=N\C(=O)Cc3ccc(C)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 Cc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)N1/C(=N\C(=O)C[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
COc1ccc(OC)c(N2/C(=N\C(=O)Cc3ccc(C)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 COc1ccc(OC)c(c1)[*:1] Cc1ccc(cc1)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
C[C@H](O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O C[C@H](O)[*:1] C[C@H](N1C(=O)c2cccc(c2C1=O)[N+](=O)[O-])[*:1]
C[C@H](O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O O=[N+]([O-])[*:1] C[C@H](O)[C@H](C)N1C(=O)c2cccc(c2C1=O)[*:1]
CC(C)COC(=O)N1CCN(Cc2c[nH]nc2-c2cccs2)CC1 CC(C)[*:1] O=C(OC[*:1])N1CCN(CC1)Cc1c[nH]nc1-c1cccs1
CC(C)COC(=O)N1CCN(Cc2c[nH]nc2-c2cccs2)CC1 c1csc(c1)[*:1] CC(C)COC(=O)N1CCN(CC1)Cc1c[nH]nc1[*:1]
CC(C)COC(=O)N1CCN(Cc2c[nH]nc2-c2cccs2)CC1 CC(C)C[*:1] O=C(O[*:1])N1CCN(CC1)Cc1c[nH]nc1-c1cccs1
CCN(C/C=C/c1ccccc1)C(=O)c1cnc(Cn2cncn2)nc1[O-] c1ncn(C[*:1])n1 CCN(C/C=C/c1ccccc1)C(=O)c1cnc(nc1[O-])[*:1]
CCN(C/C=C/c1ccccc1)C(=O)c1cnc(Cn2cncn2)nc1[O-] c1ncn(n1)[*:1] CCN(C/C=C/c1ccccc1)C(=O)c1cnc(C[*:1])nc1[O-]
CCN(C/C=C/c1ccccc1)C(=O)c1cnc(Cn2cncn2)nc1[O-] c1ccc(cc1)[*:1] CCN(CC=C[*:1])C(=O)c1cnc(Cn2cncn2)nc1[O-]
CCN(C/C=C/c1ccccc1)C(=O)c1cnc(Cn2cncn2)nc1[O-] C(=C[*:1])c1ccccc1 CCN(C[*:1])C(=O)c1cnc(Cn2cncn2)nc1[O-]
CCN(C/C=C/c1ccccc1)C(=O)c1cnc(Cn2cncn2)nc1[O-] C(=C/c1ccccc1)\C[*:1] CCN(C(=O)c1cnc(Cn2cncn2)nc1[O-])[*:1]
CCC1(CC)[C@@H](NC(=O)NCCC(N)=O)[C@@H](C)[C@@H]1OC NC(=O)C[*:1] CCC1(CC)[C@@H](NC(=O)NC[*:1])[C@@H](C)[C@@H]1OC
CCC1(CC)[C@@H](NC(=O)NCCC(N)=O)[C@@H](C)[C@@H]1OC NC(=O)[*:1] CCC1(CC)[C@@H](NC(=O)NCC[*:1])[C@@H](C)[C@@H]1OC
CCC1(CC)[C@@H](NC(=O)NCCC(N)=O)[C@@H](C)[C@@H]1OC NC(=O)CC[*:1] CCC1(CC)[C@@H](NC(=O)N[*:1])[C@@H](C)[C@@H]1OC
Cc1cc(C)n(-c2cccc(NC(=O)Cc3cc(C)on3)c2)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(CC(=O)Nc2cccc(c2)[*:1])no1
Cc1cc(C)n(-c2cccc(NC(=O)Cc3cc(C)on3)c2)n1 Cc1cc(C[*:1])no1 Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)Cc3cc(C)on3)c2)n1 Cc1cc(no1)[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)C[*:1]
O=C(c1ccccn1)N1CCC[C@@H]1Cc1ccccc1 c1ccc(nc1)[*:1] O=C(N1CCC[C@@H]1Cc1ccccc1)[*:1]
O=C(c1ccccn1)N1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccccn1)N1CCC[C@@H]1C[*:1]
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1sc2ccccc2c1Cl
CC(C)C[C@@H](C)OCCC(=O)N1CCc2ccc(F)cc21 CC(C)[*:1] C[C@H](C[*:1])OCCC(=O)N1CCc2ccc(F)cc21
CC(C)C[C@@H](C)OCCC(=O)N1CCc2ccc(F)cc21 CC(C)C[C@@H](C)[*:1] O=C(CCO[*:1])N1CCc2ccc(F)cc21
CC(C)C[C@@H](C)OCCC(=O)N1CCc2ccc(F)cc21 CC(C)C[*:1] C[C@@H](OCCC(=O)N1CCc2ccc(F)cc21)[*:1]
CC(C)C[C@@H](C)OCCC(=O)N1CCc2ccc(F)cc21 CC(C)C[C@@H](C)O[*:1] O=C(CC[*:1])N1CCc2ccc(F)cc21
COc1ccccc1-c1cn2nc(COc3ccccc3)n3c2c1CCCC3 c1ccc(cc1)OC[*:1] COc1ccccc1-c1cn2nc(n3CCCCc1c32)[*:1]
COc1ccccc1-c1cn2nc(COc3ccccc3)n3c2c1CCCC3 COc1ccccc1[*:1] c1ccc(cc1)OCc1nn2cc(c3CCCCn1c32)[*:1]
COc1ccccc1-c1cn2nc(COc3ccccc3)n3c2c1CCCC3 c1ccc(cc1)O[*:1] COc1ccccc1-c1cn2nc(C[*:1])n3CCCCc1c32
COc1ccccc1-c1cn2nc(COc3ccccc3)n3c2c1CCCC3 c1ccc(cc1)[*:1] COc1ccccc1-c1cn2nc(CO[*:1])n3CCCCc1c32
C[C@H](CNc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br Brc1ccccc1[*:1] C[C@H](CNc1ccc(cc1)[N+](=O)[O-])NC(=O)[*:1]
C[C@H](CNc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br O=[N+]([O-])[*:1] C[C@H](CNc1ccc(cc1)[*:1])NC(=O)c1ccccc1Br
C=CCN1C(=O)[C@@](NC(=O)c2ccco2)(C(F)(F)F)N=C1c1ccccc1 O=C(N[*:1])c1ccco1 C=CCN1C(=O)[C@](N=C1c1ccccc1)(C(F)(F)F)[*:1]
C=CCN1C(=O)[C@@](NC(=O)c2ccco2)(C(F)(F)F)N=C1c1ccccc1 c1coc(c1)[*:1] C=CCN1C(=O)[C@@](N=C1c1ccccc1)(NC(=O)[*:1])C(F)(F)F
C=CCN1C(=O)[C@@](NC(=O)c2ccco2)(C(F)(F)F)N=C1c1ccccc1 c1ccc(cc1)[*:1] C=CCN1C(=O)[C@@](N=C1[*:1])(NC(=O)c1ccco1)C(F)(F)F
C=CCN1C(=O)[C@@](NC(=O)c2ccco2)(C(F)(F)F)N=C1c1ccccc1 FC(F)(F)[*:1] C=CCN1C(=O)[C@](N=C1c1ccccc1)(NC(=O)c1ccco1)[*:1]
C=CCN1C(=O)[C@@](NC(=O)c2ccco2)(C(F)(F)F)N=C1c1ccccc1 C=CC[*:1] O=C(N[C@@]1(N=C(c2ccccc2)N(C1=O)[*:1])C(F)(F)F)c1ccco1
C=CCSc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 c1ccc(cc1)[*:1] C=CCSc1nc2C[C@H](C)Sc2c(=O)n1CC[*:1]
C=CCSc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 C=CC[*:1] C[C@H]1Cc2nc(S[*:1])n(CCc3ccccc3)c(=O)c2S1
C=CCSc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 c1ccc(cc1)C[*:1] C=CCSc1nc2C[C@H](C)Sc2c(=O)n1C[*:1]
C=CCSc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 C=CCS[*:1] C[C@H]1Cc2nc(n(CCc3ccccc3)c(=O)c2S1)[*:1]
CSc1cccc(N2C[C@H](C(=O)Nc3ccccc3N3CCCC3)CC2=O)c1 C1CCN(C1)[*:1] CSc1cccc(c1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
CSc1cccc(N2C[C@H](C(=O)Nc3ccccc3N3CCCC3)CC2=O)c1 CSc1cccc(c1)[*:1] O=C(Nc1ccccc1N1CCCC1)[C@@H]1CC(=O)N(C1)[*:1]
O=S(=O)(Cc1csc(-c2ccc(Cl)cc2)n1)C[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] O=S(=O)(Cc1csc(n1)[*:1])C[C@@H]1CCCO1
CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1 c1ccc(cc1)[*:1] CC(C)[C@H](NS(=O)(=O)[*:1])C(=O)Nc1nccs1
CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[*:1]
CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1 CC(C)[*:1] O=C(Nc1nccs1)[C@@H](NS(=O)(=O)c1ccccc1)[*:1]
CO[C@H](C)C(=O)Nc1nn(-c2ccccc2Cl)cc1C CO[C@H](C)[*:1] Cc1cn(nc1NC(=O)[*:1])-c1ccccc1Cl
COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] COc1ccc(c(F)c1)[C@H](C)N[C@H](C)C(=O)N[*:1]
Cc1nc([C@H]2CCCCN2C(=O)c2ccc3c(c2)OCCO3)nc2c1CCC(=O)N2C c1cc2OCCOc2cc1[*:1] Cc1nc(nc2c1CCC(=O)N2C)[C@H]1CCCCN1C(=O)[*:1]
CCn1ccc(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)n1 Fc1cccc(Cl)c1[*:1] CCn1ccc(n1)C(=O)Nc1cnn(c1)C[*:1]
CCn1ccc(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)n1 CCn1ccc(n1)[*:1] O=C(Nc1cnn(c1)Cc1c(F)cccc1Cl)[*:1]
CC[C@H]1CO[C@@H](C)CN1C(=O)[C@H](C[NH3+])CC(C)C CC(C)C[*:1] CC[C@H]1CO[C@@H](C)CN1C(=O)[C@H](C[NH3+])[*:1]
CC[C@H]1CO[C@@H](C)CN1C(=O)[C@H](C[NH3+])CC(C)C CC(C)[*:1] CC[C@H]1CO[C@@H](C)CN1C(=O)[C@H](C[NH3+])C[*:1]
Cc1cc(-c2csc(Nc3ccc(F)cc3)n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] Cc1cc(-c2csc(n2)N[*:1])c(C)n1[C@@H]1CCS(=O)(=O)C1
Cc1cc(-c2csc(Nc3ccc(F)cc3)n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)N[*:1] Cc1cc(-c2csc(n2)[*:1])c(C)n1[C@@H]1CCS(=O)(=O)C1
Cc1ccsc1CNC(=O)N1CCOC[C@H]1C(=O)[O-] Cc1ccsc1[*:1] O=C([O-])[C@@H]1COCCN1C(=O)NC[*:1]
Cc1ccsc1CNC(=O)N1CCOC[C@H]1C(=O)[O-] O=C([O-])[*:1] Cc1ccsc1CNC(=O)N1CCOC[C@@H]1[*:1]
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCCC2)cc1 COc1ccccc1[*:1] O=S(=O)(c1ccc(cc1)O[*:1])N1CCCCCC1
Cc1cc(S(=O)(=O)N[C@H](C)CC(C)C)cc(N)c1C CC(C)C[C@@H](C)[*:1] Cc1cc(cc(N)c1C)S(=O)(=O)N[*:1]
Cc1cc(S(=O)(=O)N[C@H](C)CC(C)C)cc(N)c1C CC(C)C[*:1] Cc1cc(cc(N)c1C)S(=O)(=O)N[C@H](C)[*:1]
Cc1cc(S(=O)(=O)N[C@H](C)CC(C)C)cc(N)c1C CC(C)[*:1] Cc1cc(cc(N)c1C)S(=O)(=O)N[C@H](C)C[*:1]
Cc1c(NC(=O)c2ccc(Br)cc2N)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(Br)cc1N
CC(C)CCCCNC(=O)N1CCc2ccc(O)cc2C1 CC(C)CCC[*:1] O=C(NC[*:1])N1CCc2ccc(O)cc2C1
CC(C)CCCCNC(=O)N1CCc2ccc(O)cc2C1 CC(C)CCCC[*:1] O=C(N[*:1])N1CCc2ccc(O)cc2C1
CC(C)CCCCNC(=O)N1CCc2ccc(O)cc2C1 CC(C)CC[*:1] O=C(NCC[*:1])N1CCc2ccc(O)cc2C1
CC(C)CCCCNC(=O)N1CCc2ccc(O)cc2C1 CC(C)C[*:1] O=C(NCCC[*:1])N1CCc2ccc(O)cc2C1
CC(C)CCCCNC(=O)N1CCc2ccc(O)cc2C1 CC(C)[*:1] O=C(NCCCC[*:1])N1CCc2ccc(O)cc2C1
CC(C)c1nc(N2CCO[C@@H](C)C2)sc1C[NH2+]C1CC1 C1CC1[*:1] CC(C)c1nc(sc1C[NH2+][*:1])N1CCO[C@@H](C)C1
CC(C)c1nc(N2CCO[C@@H](C)C2)sc1C[NH2+]C1CC1 CC(C)[*:1] C[C@H]1CN(CCO1)c1nc(c(C[NH2+]C2CC2)s1)[*:1]
O=C(NC1CC1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 O=C(NC1CC1)[*:1] c1cc(ncc1-c1nc(no1)C1CC1)-n1cnc(c1)[*:1]
O=C(NC1CC1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 C1CC1[*:1] O=C(NC1CC1)c1cn(cn1)-c1ccc(cn1)-c1nc(no1)[*:1]
O=C(NC1CC1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 C1CC1c1noc(n1)[*:1] O=C(NC1CC1)c1cn(cn1)-c1ccc(cn1)[*:1]
O=C(NC1CC1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 C1CC1[*:1] O=C(N[*:1])c1cn(cn1)-c1ccc(cn1)-c1nc(no1)C1CC1
CC(=O)c1cccc(NC(=O)c2c(-c3cccc(Cl)c3)noc2C)c1 Clc1cccc(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1c(noc1C)[*:1]
CC(=O)c1cccc(NC(=O)c2c(-c3cccc(Cl)c3)noc2C)c1 CC(=O)[*:1] Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1cccc(c1)[*:1]
CSc1ccc(CCNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)cc1 CSc1ccc(cc1)C[*:1] Cc1c(sc2nc3CCCCn3c(=O)c12)C(=O)NC[*:1]
CSc1ccc(CCNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)cc1 CSc1ccc(cc1)[*:1] Cc1c(sc2nc3CCCCn3c(=O)c12)C(=O)NCC[*:1]
C[C@H]1Cc2ccccc2N1C(=O)C(=O)NCC(N)=S NC(=S)[*:1] C[C@H]1Cc2ccccc2N1C(=O)C(=O)NC[*:1]
C[C@H]1Cc2ccccc2N1C(=O)C(=O)NCC(N)=S NC(=S)C[*:1] C[C@H]1Cc2ccccc2N1C(=O)C(=O)N[*:1]
CCC1(CC)CCN(c2ccc(C(F)(F)F)cc2C[NH3+])C1 FC(F)(F)[*:1] CCC1(CC)CCN(C1)c1ccc(cc1C[NH3+])[*:1]
O=C(NCCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1cccs1 c1csc(c1)[*:1] O=C(C(c1ccccc1)c1ccccc1)N1CCN(CCNC(=O)[*:1])CC1
O=C(NCCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)CC[*:1]
O=C(NCCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1cccs1 O=C(NC[*:1])c1cccs1 O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)C[*:1]
O=C(NCCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1cccs1 O=C(NCC[*:1])c1cccs1 O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)[*:1]
O=C(NCCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1cccs1 c1ccc(cc1)[*:1] O=C(NCCN1CCN(CC1)C(=O)C(c1ccccc1)[*:1])c1cccs1
Cc1cc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)no1 Cc1cc(no1)[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[*:1]
CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)c1 c1nnc2sc(nn12)[*:1] CC[C@@H](C)Oc1cccc(c1)C(=O)Nc1cc(ccc1OC)[*:1]
C[NH+](C)[C@@H](CNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)C1CC1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)[*:1]
CCOc1c(F)cccc1C(=O)N(C)C[C@@H](O)COC COC[C@H](O)[*:1] CCOc1c(F)cccc1C(=O)N(C)C[*:1]
CCOc1c(F)cccc1C(=O)N(C)C[C@@H](O)COC COC[*:1] CCOc1c(F)cccc1C(=O)N(C)C[C@@H](O)[*:1]
CCOc1c(F)cccc1C(=O)N(C)C[C@@H](O)COC CCO[*:1] COC[C@H](O)CN(C)C(=O)c1cccc(F)c1[*:1]
CCOc1c(F)cccc1C(=O)N(C)C[C@@H](O)COC COC[C@H](O)C[*:1] CCOc1c(F)cccc1C(=O)N(C)[*:1]
COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OC1CCCC1 C1CCC(C1)[*:1] COc1cccc(c1O[*:1])[C@@H]1CC(=O)Nc2ccsc21
COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OC1CCCC1 C1CCC(C1)O[*:1] COc1cccc(c1[*:1])[C@@H]1CC(=O)Nc2ccsc21
COCC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S1 COCC[*:1] O=C(C[C@H]1SC(=N[*:1])NC1=O)Nc1ccc(F)cc1
COCC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S1 COC[*:1] O=C(C[C@H]1S/C(=N\C[*:1])NC1=O)Nc1ccc(F)cc1
COCC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S1 Fc1ccc(cc1)[*:1] COCC/N=C1/NC(=O)[C@@H](CC(=O)N[*:1])S1
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1SCCC#N C[C@@H](O)C[*:1] CC(C)N(C(=O)Nc1ccccc1SCCC#N)[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1SCCC#N CC(C)[*:1] C[C@@H](O)CN(C(=O)Nc1ccccc1SCCC#N)[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1SCCC#N N#CCC[*:1] CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1S[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1SCCC#N N#CCCS[*:1] CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1SCCC#N N#CC[*:1] CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1SC[*:1]
O=S(=O)(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)C[C@@H](O)COc1ccc(Cl)cc1)[*:1]
O=S(=O)(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)O[*:1] O=S(=O)(c1ccccc1)N1CCN(CC1)C[C@@H](O)C[*:1]
O=S(=O)(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)N1CCN(CC1)C[C@@H](O)CO[*:1]
O=S(=O)(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)OC[*:1] O=S(=O)(c1ccccc1)N1CCN(CC1)C[C@@H](O)[*:1]
CCOc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)COc1cc(C)nc(n1)[*:1]
CCOc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(C)cc3)n2)cc1 CCO[*:1] Cc1ccc(cc1)-c1nc(C)cc(n1)OCC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(C)cc3)n2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(C)cc(n1)OCC(=O)N[*:1]
O=C(Cn1c(C[NH+]2CCCC2)nc2sc3c(c2c1=O)CCCC3)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(Cn1c(C[NH+]2CCCC2)nc2sc3CCCCc3c2c1=O)N[*:1]
COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc([N+](=O)[O-])c1OC O=C([O-])[*:1] COc1cc(cc(c1OC)[N+](=O)[O-])[C@H]1N[C@@H](CS1)[*:1]
COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc([N+](=O)[O-])c1OC O=[N+]([O-])[*:1] COc1cc(cc(c1OC)[*:1])[C@H]1N[C@H](CS1)C(=O)[O-]
CC1=NC(=O)[C@H]2CCN(Cc3cccn3-c3cccnc3)CCC2=N1 c1cncc(c1)[*:1] CC1=NC(=O)[C@H]2CCN(CCC2=N1)Cc1cccn1[*:1]
O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(=O)Nc1cccc(c1)C(F)(F)F)N[*:1]
NC(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1 O=C([O-])[*:1] NC(=O)c1ccc(cc1)NC(=O)Cc1ccccc1[*:1]
NC(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1 NC(=O)[*:1] O=C(Cc1ccccc1C(=O)[O-])Nc1ccc(cc1)[*:1]
COc1cccc([C@@H]2OC(=O)c3ccccc3N2C(C)=O)c1OC(C)=O CC(=O)O[*:1] COc1cccc(c1[*:1])[C@@H]1OC(=O)c2ccccc2N1C(C)=O
COc1ccccc1/C(C)=C/C(=O)OCc1nc(C2CC2)cs1 C1CC1[*:1] COc1ccccc1/C(C)=C/C(=O)OCc1nc(cs1)[*:1]
CC(C)(C)OC(=O)NCCNC(=O)N[C@H]1CCCc2ccc(F)cc21 CC(C)(C)OC(=O)N[*:1] O=C(NCC[*:1])N[C@H]1CCCc2ccc(F)cc21
CC(C)(C)OC(=O)NCCNC(=O)N[C@H]1CCCc2ccc(F)cc21 CC(C)(C)[*:1] O=C(NCCNC(=O)O[*:1])N[C@H]1CCCc2ccc(F)cc21
CCC1(CNC(=O)NCc2cc[nH]n2)CCC1 c1cc(n[nH]1)[*:1] CCC1(CCC1)CNC(=O)NC[*:1]
Cc1ccc([N+](=O)[O-])c(NC2CCC(O)CC2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)NC1CCC(O)CC1)[*:1]
C[C@H]1COC[C@@H](C)N1CCn1cccn1 c1cnn(c1)[*:1] C[C@H]1COC[C@@H](C)N1CC[*:1]
Cc1cccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1C Cc1cccc(c1C)[*:1] O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[*:1]
C=CCn1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccc(Cl)cc1 N#CC1(CCCCC1)[*:1] C=CCn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)N(C)[*:1]
C=CCn1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)N(C)C1(C#N)CCCCC1
C=CCn1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccc(Cl)cc1 C=CC[*:1] CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1[*:1])C1(C#N)CCCCC1
CCCCn1c(-c2ccc(OC)c(OC)c2)n[nH]c1=S CCC[*:1] COc1ccc(cc1OC)-c1n[nH]c(=S)n1C[*:1]
CCCCn1c(-c2ccc(OC)c(OC)c2)n[nH]c1=S CCCC[*:1] COc1ccc(cc1OC)-c1n[nH]c(=S)n1[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N1CCN(CC1)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccccc3s2)CC1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCN(CC1)c1nc2ccccc2s1
c1ccc(-c2nnc(NCc3nnc4ccccn34)s2)nc1 c1ccc(nc1)[*:1] c1ccn2c(CNc3nnc(s3)[*:1])nnc2c1
CC(C)CCNC(=O)CC[C@H]1CCCO1 CC(C)[*:1] O=C(CC[C@H]1CCCO1)NCC[*:1]
CC(C)CCNC(=O)CC[C@H]1CCCO1 CC(C)C[*:1] O=C(CC[C@H]1CCCO1)NC[*:1]
CC(C)CCNC(=O)CC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(C)CCNC(=O)CC[*:1]
CC(C)CCNC(=O)CC[C@H]1CCCO1 CC(C)CC[*:1] O=C(CC[C@H]1CCCO1)N[*:1]
Cn1ccnc1SCC[C@@H]1CCC[C@]1([NH3+])C(=O)[O-] Cn1ccnc1[*:1] [NH3+][C@@]1(CCC[C@H]1CCS[*:1])C(=O)[O-]
Cn1ccnc1SCC[C@@H]1CCC[C@]1([NH3+])C(=O)[O-] O=C([O-])[*:1] Cn1ccnc1SCC[C@@H]1CCC[C@@]1([NH3+])[*:1]
CCOC(=O)c1sc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1N CCOC(=O)[*:1] CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1nc(N)c(s1)[*:1]
CCOC(=O)c1sc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1N CC(C)(C)OC(=O)N[*:1] CCOC(=O)c1sc(nc1N)N1CCC[C@@H](C1)[*:1]
CCOC(=O)c1sc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1N CC(C)(C)[*:1] CCOC(=O)c1sc(nc1N)N1CCC[C@H](C1)NC(=O)O[*:1]
COc1ccc(Cc2n[nH]c(N/N=C/c3c[nH]cn3)nc2=O)cc1OC c1nc(c[nH]1)[*:1] COc1ccc(cc1OC)Cc1n[nH]c(nc1=O)NN=C[*:1]
Cc1ccn2c(NC(=O)Cc3c(C)noc3C)c(-c3ccc(F)cc3)nc2c1 Cc1noc(C)c1[*:1] Cc1ccn2c(NC(=O)C[*:1])c(nc2c1)-c1ccc(F)cc1
Cc1ccn2c(NC(=O)Cc3c(C)noc3C)c(-c3ccc(F)cc3)nc2c1 Cc1noc(C)c1C[*:1] Cc1ccn2c(NC(=O)[*:1])c(nc2c1)-c1ccc(F)cc1
Cc1ccn2c(NC(=O)Cc3c(C)noc3C)c(-c3ccc(F)cc3)nc2c1 Fc1ccc(cc1)[*:1] Cc1ccn2c(NC(=O)Cc3c(C)noc3C)c(nc2c1)[*:1]
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H]1CC(=O)N(CC(F)(F)F)C1 CC(C)(C)[*:1] Cc1nn(cc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)CC(F)(F)F)[*:1]
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] Cc1nn(cc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1])C(C)(C)C
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] Cc1nn(cc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)C[*:1])C(C)(C)C
CC(=O)Cc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] CC(=O)Cc1cccc(c1)[*:1]
CC(=O)Cc1cccc(C(=O)[O-])c1 CC(=O)C[*:1] O=C([O-])c1cccc(c1)[*:1]
CC(=O)Cc1cccc(C(=O)[O-])c1 CC(=O)[*:1] O=C([O-])c1cccc(c1)C[*:1]
C[C@H](O)CCC(=O)N[C@H](C)C[NH+]1CCCC1 C[C@H](O)[*:1] C[C@H](C[NH+]1CCCC1)NC(=O)CC[*:1]
C[C@H](O)CCC(=O)N[C@H](C)C[NH+]1CCCC1 C[C@H](O)CC[*:1] C[C@H](C[NH+]1CCCC1)NC(=O)[*:1]
C[C@H](O)CCC(=O)N[C@H](C)C[NH+]1CCCC1 C[C@H](O)C[*:1] C[C@H](C[NH+]1CCCC1)NC(=O)C[*:1]
CN(CCCS(C)(=O)=O)C(=O)c1nn(-c2ccccc2F)cc1[O-] Fc1ccccc1[*:1] CN(CCCS(C)(=O)=O)C(=O)c1nn(cc1[O-])[*:1]
CN(CCCS(C)(=O)=O)C(=O)c1nn(-c2ccccc2F)cc1[O-] CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)c1nn(cc1[O-])-c1ccccc1F
CN(CCCS(C)(=O)=O)C(=O)c1nn(-c2ccccc2F)cc1[O-] CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)c1nn(cc1[O-])-c1ccccc1F
CN(CCCS(C)(=O)=O)C(=O)c1nn(-c2ccccc2F)cc1[O-] CS(=O)(=O)CCC[*:1] CN(C(=O)c1nn(cc1[O-])-c1ccccc1F)[*:1]
CN(CCCS(C)(=O)=O)C(=O)c1nn(-c2ccccc2F)cc1[O-] CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)c1nn(cc1[O-])-c1ccccc1F
C[C@@H](NC(=O)c1ccccc1)C(=O)[C@@H](C#N)c1ccc(F)cn1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)[C@@H](C#N)c1ccc(F)cn1
C[C@@H](NC(=O)c1ccccc1)C(=O)[C@@H](C#N)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)[C@@H](C#N)[*:1]
CCc1c(C)sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] CCc1c(C)sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1C(=O)N[*:1]
CCc1c(C)sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1C(=O)NCc1cccnc1 O=C([O-])[*:1] CCc1c(C)sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2[*:1])c1C(=O)NCc1cccnc1
CCc1c(C)sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1C(=O)NCc1cccnc1 O=C(NCc1cccnc1)[*:1] CCc1c(C)sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1[*:1]
CCc1c(C)sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1C(=O)NCc1cccnc1 c1cncc(c1)[*:1] CCc1c(C)sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1C(=O)NC[*:1]
COC(=O)[C@@H](NC(=O)[C@H]1SCCc2ccccc21)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@@H](NC(=O)[C@H]1SCCc2ccccc21)[*:1]
COC(=O)[C@@H](NC(=O)[C@H]1SCCc2ccccc21)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@H](NC(=O)[C@H]1SCCc2ccccc21)[*:1]
CC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](NS(=O)(=O)Cc1ccccc1)[*:1]
CC(C)(C)C(=O)N1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)C(=O)N1CCCC[C@H]1[*:1]
CC(C)(C)C(=O)N1CCCC[C@@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@H]1CCCCN1C(=O)[*:1]
N#CC(C#N)=CNCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] N#CC(C#N)=CNCc1ccc(cc1)[*:1]
CC(C)c1noc([C@@H](C)N2CC[NH+](Cc3noc(C(C)(C)C)n3)CC2)n1 CC(C)[*:1] C[C@H](c1nc(no1)[*:1])N1CC[NH+](CC1)Cc1noc(n1)C(C)(C)C
CC(C)c1noc([C@@H](C)N2CC[NH+](Cc3noc(C(C)(C)C)n3)CC2)n1 CC(C)c1noc(n1)[*:1] C[C@@H](N1CC[NH+](CC1)Cc1noc(n1)C(C)(C)C)[*:1]
CC(C)c1noc([C@@H](C)N2CC[NH+](Cc3noc(C(C)(C)C)n3)CC2)n1 CC(C)(C)[*:1] CC(C)c1noc(n1)[C@@H](C)N1CC[NH+](CC1)Cc1noc(n1)[*:1]
O=C(CC(F)(F)F)N1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 c1ccn(c1)[*:1] O=C(CC(F)(F)F)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
O=C(CC(F)(F)F)N1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 FC(F)(F)C[*:1] O=C(c1cccc(c1)-n1cccc1)N1CCN(CC1)C(=O)[*:1]
O=C(CC(F)(F)F)N1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 FC(F)(F)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1cccc(c1)-n1cccc1
O=C(CNS(=O)(=O)c1ccccc1F)OCC(=O)N1c2ccccc2NC(=O)C12CCCC2 O=S(=O)(N[*:1])c1ccccc1F O=C(C[*:1])OCC(=O)N1c2ccccc2NC(=O)C12CCCC2
O=C(CNS(=O)(=O)c1ccccc1F)OCC(=O)N1c2ccccc2NC(=O)C12CCCC2 Fc1ccccc1[*:1] O=C(CNS(=O)(=O)[*:1])OCC(=O)N1c2ccccc2NC(=O)C12CCCC2
CCCC[C@H](CC)C(=O)N1CCS[C@H]1c1ccccc1F CCC[*:1] CC[C@@H](C[*:1])C(=O)N1CCS[C@H]1c1ccccc1F
CCCC[C@H](CC)C(=O)N1CCS[C@H]1c1ccccc1F CCCC[*:1] CC[C@H](C(=O)N1CCS[C@H]1c1ccccc1F)[*:1]
CCCC[C@H](CC)C(=O)N1CCS[C@H]1c1ccccc1F CCCC[C@H](CC)[*:1] O=C(N1CCS[C@H]1c1ccccc1F)[*:1]
CCCC[C@H](CC)C(=O)N1CCS[C@H]1c1ccccc1F Fc1ccccc1[*:1] CCCC[C@H](CC)C(=O)N1CCS[C@@H]1[*:1]
C[C@H]([NH3+])c1nc(-c2nc([C@]3(C)CCCO3)no2)cs1 C[C@@]1(CCCO1)[*:1] C[C@H]([NH3+])c1nc(cs1)-c1nc(no1)[*:1]
CO[C@@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1 O=[N+]([O-])[*:1] CO[C@@H]1CN(/N=C/c2ccc(o2)[*:1])C(=O)O1
O=C(c1ccccc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 Fc1ccccc1[*:1] O=C(N1CCN(CC1)[C@H]1CCC[C@@H]1O)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OCC(=O)N(C)C)c2)C1 CN(C)C(=O)[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cccc(c1)OC[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OCC(=O)N(C)C)c2)C1 CCO[*:1] CN(C)C(=O)COc1cccc(c1)C(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OCC(=O)N(C)C)c2)C1 CCOC[*:1] CN(C)C(=O)COc1cccc(c1)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OCC(=O)N(C)C)c2)C1 CN(C)C(=O)CO[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(OCC(=O)N(C)C)c2)C1 CN(C)C(=O)C[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cccc(c1)O[*:1]
Cc1ccc(C[NH2+]CCC(C)(C)O)s1 CC(C)(O)[*:1] Cc1ccc(C[NH2+]CC[*:1])s1
COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(OC)cc2Cl)cc1 COc1ccc(cc1)[*:1] COc1ccc(NC(=O)N(C)[C@H](C)[*:1])c(Cl)c1
O=C(NCC[C@H](O)c1cccc2ccccc12)C(=O)NCc1cccs1 c1csc(c1)[*:1] O=C(NCC[C@H](O)c1cccc2ccccc12)C(=O)NC[*:1]
O=C(NCC[C@H](O)c1cccc2ccccc12)C(=O)NCc1cccs1 c1csc(c1)C[*:1] O=C(NCC[C@H](O)c1cccc2ccccc12)C(=O)N[*:1]
CCN(C(=O)NC[C@]1(C)CCCO1)[C@@H](C)CC(=O)[O-] C[C@@H](CC(=O)[O-])[*:1] CCN(C(=O)NC[C@]1(C)CCCO1)[*:1]
CCN(C(=O)NC[C@]1(C)CCCO1)[C@@H](C)CC(=O)[O-] O=C([O-])[*:1] CCN(C(=O)NC[C@]1(C)CCCO1)[C@@H](C)C[*:1]
CCN(C(=O)NC[C@]1(C)CCCO1)[C@@H](C)CC(=O)[O-] C[C@@]1(CCCO1)[*:1] CCN(C(=O)NC[*:1])[C@@H](C)CC(=O)[O-]
CCN(C(=O)NC[C@]1(C)CCCO1)[C@@H](C)CC(=O)[O-] O=C([O-])C[*:1] CCN(C(=O)NC[C@]1(C)CCCO1)[C@@H](C)[*:1]
Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n1 FC(F)[*:1] Cc1cc(N)nc(n1)S[C@H](C)C(=O)Nc1ccc(cc1)S[*:1]
Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n1 FC(F)S[*:1] Cc1cc(N)nc(n1)S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n1 Cc1cc(N)nc(n1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(cc1)SC(F)F
CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1CCN(S(C)(=O)=O)CC1 CC(C)[*:1] CS(=O)(=O)N1CCC(CC1)[NH2+]C[C@@H]1CCCO[C@@H]1[*:1]
Cc1cc(NC(=O)NCc2sccc2C)ccc1C(=O)[O-] Cc1ccsc1[*:1] Cc1cc(ccc1C(=O)[O-])NC(=O)NC[*:1]
Cc1cc(NC(=O)NCc2sccc2C)ccc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(ccc1[*:1])NC(=O)NCc1sccc1C
Cc1cc(NC(=O)NCc2sccc2C)ccc1C(=O)[O-] Cc1ccsc1C[*:1] Cc1cc(ccc1C(=O)[O-])NC(=O)N[*:1]
CCCc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1 CCC[*:1] O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(cc1)[*:1]
CCCc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCCc1ccc(cc1)NC(=O)CS(=O)(=O)[*:1]
CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCc2ccccc21 CCC(C)(C)n1nnnc1[*:1] Cc1cccc2cc(c(=O)[nH]c12)[C@@H](N1CCc2ccccc21)[*:1]
CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[*:1]
CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCc2ccccc21 CCC(C)(C)[*:1] Cc1cccc2cc(c(=O)[nH]c12)[C@H](c1nnnn1[*:1])N1CCc2ccccc21
COC(=O)Cc1nc(-c2ccc(Br)s2)cs1 COC(=O)C[*:1] Brc1ccc(s1)-c1csc(n1)[*:1]
COC(=O)Cc1nc(-c2ccc(Br)s2)cs1 COC(=O)[*:1] Brc1ccc(s1)-c1csc(C[*:1])n1
CSc1nnnn1-c1cccc(NC(=O)c2cc3c(F)cccc3s2)c1 CSc1nnnn1[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2c(F)cccc2s1
CC(C)Cc1nc(CS(=O)(=O)c2ccc(C(C)C)cc2)no1 CC(C)C[*:1] CC(C)c1ccc(cc1)S(=O)(=O)Cc1noc(n1)[*:1]
CC(C)Cc1nc(CS(=O)(=O)c2ccc(C(C)C)cc2)no1 CC(C)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)Cc1noc(C[*:1])n1
CC(C)Cc1nc(CS(=O)(=O)c2ccc(C(C)C)cc2)no1 CC(C)[*:1] CC(C)Cc1nc(CS(=O)(=O)c2ccc(cc2)[*:1])no1
COC(=O)Cc1csc(NC(=O)C/C=C/c2ccc(F)cc2)n1 COC(=O)[*:1] O=C(C/C=C/c1ccc(F)cc1)Nc1nc(cs1)C[*:1]
COC(=O)Cc1csc(NC(=O)C/C=C/c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] COC(=O)Cc1csc(n1)NC(=O)CC=C[*:1]
COC(=O)Cc1csc(NC(=O)C/C=C/c2ccc(F)cc2)n1 COC(=O)C[*:1] O=C(C/C=C/c1ccc(F)cc1)Nc1nc(cs1)[*:1]
CCOC(=O)[C@]1(CCSC)N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 CSCC[*:1] CCOC(=O)[C@@]1(N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21)[*:1]
CCOC(=O)[C@]1(CCSC)N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 CSC[*:1] CCOC(=O)[C@]1(C[*:1])N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21
CCOC(=O)[C@]1(CCSC)N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 CCOC(=O)[*:1] CSCC[C@@]1(N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21)[*:1]
CCOC(=O)[C@]1(CCSC)N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 c1csc(c1)[*:1] CCOC(=O)[C@]1(CCSC)N[C@H]([C@H]2C(=O)N(C)C(=O)[C@@H]21)[*:1]
CC(C)c1cnn2c(Cl)cc(-c3ccc(Cl)cc3)nc12 CC(C)[*:1] Clc1ccc(cc1)-c1cc(Cl)n2ncc(c2n1)[*:1]
CCC[C@@H]1CN(C(=O)c2cc(Br)cn2C(C)C)CCO1 CCC[*:1] CC(C)n1cc(Br)cc1C(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)c2cc(Br)cn2C(C)C)CCO1 CC(C)[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1cc(Br)cn1[*:1]
CC(=O)C1=C(C)C(C(=O)NC2CCN(S(C)(=O)=O)CC2)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)NC1CCN(CC1)S(C)(=O)=O
NC(=O)c1cccc(C[NH2+]C[C@@H]2CN3CCCC[C@@H]3CO2)c1 NC(=O)[*:1] c1cc(cc(c1)[*:1])C[NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1
Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)NCc1ccccc1Cl Cc1noc(N)c1[*:1] C[C@H](OC(=O)[*:1])C(=O)NCc1ccccc1Cl
Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)NC[*:1]
COc1ccc(C)cc1C[S@@](=O)CCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(C)cc1C[S@@](=O)CCC[*:1]
COc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(o1)SCC(=O)[*:1]
COc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)CSc1nnc(o1)[*:1]
C[C@@H]1CC[C@H]([NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 c1coc(c1)[*:1] C[C@@H]1CC[C@@H](C1)[NH+]1CCN(CC1)c1oc(nc1C#N)[*:1]
CO[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(O)cc1)CC1CC1 C1CC1[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(O)cc1)C[*:1]
CO[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(O)cc1)CC1CC1 C1CC1C[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(O)cc1)[*:1]
CO[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(O)cc1)CC1CC1 Oc1ccc(cc1)C[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)N(CC1CC1)[*:1]
CO[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccc(O)cc1)CC1CC1 Oc1ccc(cc1)[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)N(CC1CC1)C[*:1]
CC[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCC[C@@H](O)C(C)C)cc1C CC(C)[C@H](O)CC[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCC[C@@H](O)C(C)C)cc1C CC(C)[C@H](O)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)NCC[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCC[C@@H](O)C(C)C)cc1C CC(C)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)NCC[C@@H](O)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCC[C@@H](O)C(C)C)cc1C CC(C)[C@H](O)C[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)NC[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCC[C@@H](O)C(C)C)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)NCC[C@@H](O)C(C)C
CCOc1ccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1 CCO[*:1] O=C(Nc1cc(ccc1F)-n1cnnn1)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1 c1nnnn1[*:1] CCOc1ccc(cc1)C(=O)Nc1cc(ccc1F)[*:1]
CCn1cc(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)cn1 CCn1cc(cn1)[*:1] O=C(N[*:1])[C@H]1CC(=NO1)c1cc(F)ccc1F
CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CCSC(C)C CC(C)S[*:1] CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CC[*:1]
CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CCSC(C)C CC(C)SC[*:1] CC(C)[NH2+][C@]1(CO)CCC[C@@H]1C[*:1]
CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CCSC(C)C CC(C)[*:1] CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CCS[*:1]
CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CCSC(C)C CC(C)[*:1] CC(C)SCC[C@H]1CCC[C@@]1(CO)[NH2+][*:1]
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(C)oc1C Fc1cccc(F)c1[*:1] CCN(CC(=O)N[*:1])C(=O)c1cc(C)oc1C
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[*:1]
CC[C@H](O)Cn1nc(Cn2cncn2)nc1Cc1cccc(Cl)c1 c1ncn(C[*:1])n1 CC[C@H](O)Cn1nc(nc1Cc1cccc(Cl)c1)[*:1]
CC[C@H](O)Cn1nc(Cn2cncn2)nc1Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H](O)Cn1nc(Cn2cncn2)nc1C[*:1]
CC[C@H](O)Cn1nc(Cn2cncn2)nc1Cc1cccc(Cl)c1 c1ncn(n1)[*:1] CC[C@H](O)Cn1nc(C[*:1])nc1Cc1cccc(Cl)c1
CC[C@H](O)Cn1nc(Cn2cncn2)nc1Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] CC[C@H](O)Cn1nc(Cn2cncn2)nc1[*:1]
COc1cc(CN2CCc3ccc(F)cc3C2)c([N+](=O)[O-])cc1O O=[N+]([O-])[*:1] COc1cc(CN2CCc3ccc(F)cc3C2)c(cc1O)[*:1]
C[C@H](OC(=O)CN(C)C(=O)c1cccs1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](OC(=O)CN(C)C(=O)c1cccs1)[*:1]
C[C@H](OC(=O)CN(C)C(=O)c1cccs1)[C@@H]1CCCO1 c1csc(c1)[*:1] C[C@H](OC(=O)CN(C)C(=O)[*:1])[C@@H]1CCCO1
COCc1c(C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)oc2ccccc12 COC[*:1] Cc1c(O)ccc2c(cc(=O)oc12)COC(=O)c1oc2ccccc2c1[*:1]
NC(=O)c1cc(NC(=O)NC[C@@H](CCO)c2ccccc2)ccc1F c1ccc(cc1)[*:1] NC(=O)c1cc(ccc1F)NC(=O)NC[C@@H](CCO)[*:1]
NC(=O)c1cc(NC(=O)NC[C@@H](CCO)c2ccccc2)ccc1F NC(=O)[*:1] O=C(NC[C@@H](CCO)c1ccccc1)Nc1ccc(F)c(c1)[*:1]
NC(=O)c1cc(NC(=O)NC[C@@H](CCO)c2ccccc2)ccc1F OCC[*:1] NC(=O)c1cc(ccc1F)NC(=O)NC[C@@H](c1ccccc1)[*:1]
COCn1nc(C)c(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c1C COC[*:1] COc1ccc(cc1)-c1cc(C(=O)Nc2c(C)nn(c2C)[*:1])c2c(C)nn(C)c2n1
COCn1nc(C)c(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c1C COCn1nc(C)c(c1C)[*:1] COc1ccc(cc1)-c1cc(C(=O)N[*:1])c2c(C)nn(C)c2n1
COCn1nc(C)c(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c1C COc1ccc(cc1)[*:1] COCn1nc(C)c(NC(=O)c2cc(nc3c2c(C)nn3C)[*:1])c1C
COc1cc(C2=NO[C@@H](C(=O)NC(C)(C)C)C2)cc(OC)c1OC CC(C)(C)NC(=O)[*:1] COc1cc(cc(OC)c1OC)C1C[C@H](ON=1)[*:1]
COc1cc(C2=NO[C@@H](C(=O)NC(C)(C)C)C2)cc(OC)c1OC CC(C)(C)[*:1] COc1cc(cc(OC)c1OC)C1C[C@@H](ON=1)C(=O)N[*:1]
Cc1ccccc1[C@H]1CN(C(=O)NCCNC(=O)c2ccco2)[C@H](C)CO1 O=C(N[*:1])c1ccco1 Cc1ccccc1[C@H]1CN(C(=O)NCC[*:1])[C@H](C)CO1
Cc1ccccc1[C@H]1CN(C(=O)NCCNC(=O)c2ccco2)[C@H](C)CO1 O=C(NC[*:1])c1ccco1 Cc1ccccc1[C@H]1CN(C(=O)NC[*:1])[C@H](C)CO1
Cc1ccccc1[C@H]1CN(C(=O)NCCNC(=O)c2ccco2)[C@H](C)CO1 c1coc(c1)[*:1] Cc1ccccc1[C@H]1CN(C(=O)NCCNC(=O)[*:1])[C@H](C)CO1
Cc1ccccc1[C@H]1CN(C(=O)NCCNC(=O)c2ccco2)[C@H](C)CO1 Cc1ccccc1[*:1] C[C@@H]1CO[C@H](CN1C(=O)NCCNC(=O)c1ccco1)[*:1]
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC[*:1]
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(Cl)cc1Cl Clc1ccc(C[*:1])c(Cl)c1 C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[*:1]
Cc1noc(C)c1[C@H](C)CC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 Cc1noc(C)c1[*:1] C[C@H](CC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CCSc1nc(C)cc(C(=O)NCc2ccccc2)n1 c1ccc(cc1)[*:1] CCSc1nc(C)cc(n1)C(=O)NC[*:1]
CCSc1nc(C)cc(C(=O)NCc2ccccc2)n1 CCS[*:1] Cc1cc(nc(n1)[*:1])C(=O)NCc1ccccc1
O=C(CC1CCCCC1)Nc1ccc(F)c(Cl)c1 C1CCC(CC1)[*:1] O=C(C[*:1])Nc1ccc(F)c(Cl)c1
Cc1c(NC(=O)C(F)(F)F)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)C(F)(F)F
Cc1c(NC(=O)C(F)(F)F)cccc1C(=O)[O-] FC(F)(F)[*:1] Cc1c(cccc1C(=O)[O-])NC(=O)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F C[C@H]1CCCC[C@H]1[*:1] O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[*:1]
Cc1cccc2nc[nH+]c(N3CCN(c4ccc(F)cn4)CC3)c12 Fc1ccc(nc1)[*:1] Cc1cccc2nc[nH+]c(c12)N1CCN(CC1)[*:1]
NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[C@H]2C[NH2+]CCO2)c1 NS(=O)(=O)[*:1] O=C(C[C@H]1C[NH2+]CCO1)Nc1cc(ccc1Cl)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1[N+](=O)[O-] C1CCCN(CC1)[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1[N+](=O)[O-] Cc1ccc(cc1[N+](=O)[O-])[*:1] O=S(=O)(N1CCN(CC1)c1ccc(nn1)N1CCCCCC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCCC1
CC[C@H](O)c1ccn(CC(=O)NC2CC2)c1 C1CC1[*:1] CC[C@H](O)c1ccn(c1)CC(=O)N[*:1]
CC[C@H](O)c1ccn(CC(=O)NC2CC2)c1 CC[C@H](O)[*:1] O=C(Cn1ccc(c1)[*:1])NC1CC1
CCO[C@H]1C[C@@H](NC(=O)c2cnc3c(C)cccn3c2=O)C12CCCCC2 CCO[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N[C@@H]1C[C@@H](C12CCCCC2)[*:1]
Cc1nn(CC(C)C)c(Cl)c1CN1CC(=O)N[C@H]2CCCC[C@@H]21 CC(C)C[*:1] Cc1nn(c(Cl)c1CN1CC(=O)N[C@H]2CCCC[C@@H]21)[*:1]
Cc1nn(CC(C)C)c(Cl)c1CN1CC(=O)N[C@H]2CCCC[C@@H]21 CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1CN1CC(=O)N[C@H]2CCCC[C@@H]21
O=C([O-])[C@H]1CC(=O)N(CCN2C[C@H](C(=O)[O-])CC2=O)C1 O=C([O-])[*:1] O=C([O-])[C@@H]1CC(=O)N(CCN2C[C@H](CC2=O)[*:1])C1
C[NH+](C)C[C@H](O)Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[NH+](C)C[C@H](O)Cc1nc(cs1)[*:1]
C[C@@H]1Cc2ccccc2N1CCNC(=O)N(C)Cc1nccs1 c1csc(C[*:1])n1 C[C@@H]1Cc2ccccc2N1CCNC(=O)N(C)[*:1]
C[C@@H]1Cc2ccccc2N1CCNC(=O)N(C)Cc1nccs1 c1csc(n1)[*:1] C[C@@H]1Cc2ccccc2N1CCNC(=O)N(C)C[*:1]
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)[*:1]
CNC(=O)c1ccc(NC(=O)C[NH+](Cc2ccco2)C2CCCC2)cc1 c1coc(c1)C[*:1] CNC(=O)c1ccc(cc1)NC(=O)C[NH+](C1CCCC1)[*:1]
CNC(=O)c1ccc(NC(=O)C[NH+](Cc2ccco2)C2CCCC2)cc1 CNC(=O)[*:1] O=C(C[NH+](Cc1ccco1)C1CCCC1)Nc1ccc(cc1)[*:1]
CNC(=O)c1ccc(NC(=O)C[NH+](Cc2ccco2)C2CCCC2)cc1 c1coc(c1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)C[NH+](C[*:1])C1CCCC1
Cc1ccc(NC(=O)CCc2c[nH]c3c(C)cccc23)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)CCc1c[nH]c2c(C)cccc12
CCOC1CCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 CCO[*:1] O=C(Nc1ccc(cc1)OCc1ccccc1F)N1CCC(CC1)[*:1]
CCOC1CCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 Fc1ccccc1CO[*:1] CCOC1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
CCOC1CCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 Fc1ccccc1C[*:1] CCOC1CCN(CC1)C(=O)Nc1ccc(cc1)O[*:1]
CCOC1CCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 Fc1ccccc1[*:1] CCOC1CCN(CC1)C(=O)Nc1ccc(cc1)OC[*:1]
CCC/C(=N\NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1 CCC[*:1] O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C(/c1ccccc1)[*:1]
CCC/C(=N\NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCCC(=NNC(=O)CNC(=O)c1ccc(Cl)cc1)[*:1]
CCC/C(=N\NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] CCC/C(=N\NC(=O)CNC(=O)[*:1])c1ccccc1
C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cccc(N2CCCC2)c1 C[S@](=O)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1cccc(c1)N1CCCC1
C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[S@](C)=O)c1cccc(c1)[*:1]
Cc1cc(C)n(Cc2cc(C(=O)N3CCCC[C@@H]3c3cccnc3)n[nH]2)n1 Cc1cc(C)n(C[*:1])n1 O=C(c1cc([nH]n1)[*:1])N1CCCC[C@@H]1c1cccnc1
Cc1cc(C)n(Cc2cc(C(=O)N3CCCC[C@@H]3c3cccnc3)n[nH]2)n1 Cc1cc(C)n(n1)[*:1] O=C(c1cc(C[*:1])[nH]n1)N1CCCC[C@@H]1c1cccnc1
Cc1cc(C)n(Cc2cc(C(=O)N3CCCC[C@@H]3c3cccnc3)n[nH]2)n1 c1cncc(c1)[*:1] Cc1cc(C)n(Cc2cc(n[nH]2)C(=O)N2CCCC[C@H]2[*:1])n1
O=C(Nc1cccc(-c2nc3ccccc3o2)c1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)-c1nc2ccccc2o1)[C@H]1CCCCN1S(=O)(=O)[*:1]
O=C(Nc1cccc(-c2nc3ccccc3o2)c1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 c1ccc2oc(nc2c1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCCN1S(=O)(=O)c1cccs1
CCOc1ccc(NC(=O)NCCc2csc(N3CCCC3)n2)cc1 CCO[*:1] O=C(NCCc1csc(n1)N1CCCC1)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)NCCc2csc(N3CCCC3)n2)cc1 C1CCN(C1)[*:1] CCOc1ccc(cc1)NC(=O)NCCc1csc(n1)[*:1]
Cc1c([C@@H](C)NC(=O)c2ccn([C@H](C)C(=O)[O-])n2)cnn1C Cc1c(cnn1C)[*:1] C[C@H](C(=O)[O-])n1ccc(n1)C(=O)N[C@H](C)[*:1]
Cc1c([C@@H](C)NC(=O)c2ccn([C@H](C)C(=O)[O-])n2)cnn1C O=C([O-])[*:1] Cc1c(cnn1C)[C@@H](C)NC(=O)c1ccn(n1)[C@H](C)[*:1]
N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1 N#Cc1ccccc1[*:1] O=C(NCc1ccc(cc1)N1CCCC1=O)c1cccc(c1)OC[*:1]
N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1 N#Cc1ccccc1C[*:1] O=C(NCc1ccc(cc1)N1CCCC1=O)c1cccc(c1)O[*:1]
N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1 N#Cc1ccccc1CO[*:1] O=C(NCc1ccc(cc1)N1CCCC1=O)c1cccc(c1)[*:1]
N#Cc1ccccc1COc1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1 O=C1CCCN1[*:1] N#Cc1ccccc1COc1cccc(c1)C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)cc1OC c1cnn(c1)[*:1] COc1ccc(cc1OC)NC(=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-n1cccn1
COC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)c(Cl)cc1Cl COC(=O)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1cc(c(Cl)cc1Cl)[*:1]
NC(=O)NC(=O)C[C@@H]1S/C(=N/N=C/c2ccccc2)NC1=O c1ccc(cc1)[*:1] NC(=O)NC(=O)C[C@@H]1S/C(=N/N=C[*:1])NC1=O
NC(=O)NC(=O)C[C@@H]1S/C(=N/N=C/c2ccccc2)NC1=O NC(=O)NC(=O)C[*:1] O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1[*:1]
NC(=O)NC(=O)C[C@@H]1S/C(=N/N=C/c2ccccc2)NC1=O NC(=O)NC(=O)[*:1] O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1C[*:1]
Cn1nnnc1SCC(=O)Nc1ccccc1Oc1cccc(F)c1 Cn1nnnc1[*:1] O=C(CS[*:1])Nc1ccccc1Oc1cccc(F)c1
Cn1nnnc1SCC(=O)Nc1ccccc1Oc1cccc(F)c1 Cn1nnnc1S[*:1] O=C(C[*:1])Nc1ccccc1Oc1cccc(F)c1
Cn1nnnc1SCC(=O)Nc1ccccc1Oc1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1nnnc1SCC(=O)Nc1ccccc1O[*:1]
Cn1nnnc1SCC(=O)Nc1ccccc1Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] Cn1nnnc1SCC(=O)Nc1ccccc1[*:1]
Cn1nnnc1SCC(=O)Nc1ccccc1Oc1cccc(F)c1 Cn1nnnc1SC[*:1] O=C(Nc1ccccc1Oc1cccc(F)c1)[*:1]
C[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C[C@@H]1O Clc1ccccc1[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1cn(C)nc1[*:1]
Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(C3CC3)CC2)c1C C1CC1[*:1] Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(CC2)[*:1])c1C
Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(C3CC3)CC2)c1C C1CC1C1(CC1)[*:1] Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[*:1])c1C
CC[C@H](C(=O)OC)N(C(=O)c1ccnc(Cl)c1)c1ccccc1 COC(=O)[*:1] CC[C@H](N(C(=O)c1ccnc(Cl)c1)c1ccccc1)[*:1]
CC[C@H](C(=O)OC)N(C(=O)c1ccnc(Cl)c1)c1ccccc1 Clc1cc(ccn1)[*:1] CC[C@H](C(=O)OC)N(C(=O)[*:1])c1ccccc1
CC[C@H](C(=O)OC)N(C(=O)c1ccnc(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)OC)N(C(=O)c1ccnc(Cl)c1)[*:1]
C[C@H]1CCc2c(sc3ncn(Cc4cccc(Cl)c4)c(=O)c23)C1 Clc1cccc(c1)[*:1] C[C@H]1CCc2c(C1)sc1ncn(C[*:1])c(=O)c21
CCC(=O)N1CCS[C@@]12C(=O)N(Cc1ccc(C)cc1)c1ccc(Cl)cc12 Cc1ccc(cc1)C[*:1] CCC(=O)N1CCS[C@@]12C(=O)N(c1ccc(Cl)cc12)[*:1]
CCC(=O)N1CCS[C@@]12C(=O)N(Cc1ccc(C)cc1)c1ccc(Cl)cc12 Cc1ccc(cc1)[*:1] CCC(=O)N1CCS[C@@]12C(=O)N(C[*:1])c1ccc(Cl)cc12
CN(C(=O)NCC1(c2ccccc2Cl)CCCCC1)C1CCS(=O)CC1 Clc1ccccc1[*:1] CN(C(=O)NCC1(CCCCC1)[*:1])C1CCS(=O)CC1
CC[C@H](CO)[NH+]1CCN([C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 Cc1ccc(cc1)[*:1] CC[C@H](CO)[NH+]1CCN(CC1)[C@H]1CCCN(C1=O)[*:1]
COCc1cc(C(=O)NCc2c(F)cccc2OC(F)F)ccc1F FC(F)O[*:1] COCc1cc(ccc1F)C(=O)NCc1c(F)cccc1[*:1]
COCc1cc(C(=O)NCc2c(F)cccc2OC(F)F)ccc1F COC[*:1] O=C(NCc1c(F)cccc1OC(F)F)c1ccc(F)c(c1)[*:1]
COCc1cc(C(=O)NCc2c(F)cccc2OC(F)F)ccc1F FC(F)[*:1] COCc1cc(ccc1F)C(=O)NCc1c(F)cccc1O[*:1]
O=C(/C=C/c1ccccc1Cl)N1CCc2ccccc2C1 Clc1ccccc1[*:1] O=C(C=C[*:1])N1CCc2ccccc2C1
Cn1cnc(CNC(=O)c2ccccc2NC(=O)OC(C)(C)C)n1 Cn1cnc(n1)[*:1] CC(C)(C)OC(=O)Nc1ccccc1C(=O)NC[*:1]
Cn1cnc(CNC(=O)c2ccccc2NC(=O)OC(C)(C)C)n1 Cn1cnc(C[*:1])n1 CC(C)(C)OC(=O)Nc1ccccc1C(=O)N[*:1]
Cn1cnc(CNC(=O)c2ccccc2NC(=O)OC(C)(C)C)n1 CC(C)(C)[*:1] Cn1cnc(CNC(=O)c2ccccc2NC(=O)O[*:1])n1
Cn1cnc(CNC(=O)c2ccccc2NC(=O)OC(C)(C)C)n1 CC(C)(C)OC(=O)N[*:1] Cn1cnc(CNC(=O)c2ccccc2[*:1])n1
CC(C)=CCSc1nc(N)cc(=O)[nH]1 CC(C)=C[*:1] Nc1cc(=O)[nH]c(n1)SC[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N(C)[C@H]1CCc2ccccc21 C[C@@H](O)C[*:1] CN(C(=O)NCC(C)(C)[*:1])[C@H]1CCc2ccccc21
C[C@@H](O)CC(C)(C)CNC(=O)N(C)[C@H]1CCc2ccccc21 C[C@@H](O)[*:1] CN(C(=O)NCC(C)(C)C[*:1])[C@H]1CCc2ccccc21
C[C@@H](O)CC(C)(C)CNC(=O)N(C)[C@H]1CCc2ccccc21 C[C@@H](O)CC(C)(C)[*:1] CN(C(=O)NC[*:1])[C@H]1CCc2ccccc21
O=C(Nc1nncs1)c1csc(Cc2ccccc2F)n1 Fc1ccccc1[*:1] O=C(Nc1nncs1)c1csc(C[*:1])n1
O=C(Nc1nncs1)c1csc(Cc2ccccc2F)n1 c1nnc(s1)[*:1] O=C(N[*:1])c1csc(Cc2ccccc2F)n1
COc1ccc(NC(=O)N[C@H](CO)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)N[C@H](CO)[*:1]
COc1ccccc1-c1ccc([C@@H](C)NCCc2nc[nH]n2)cc1 COc1ccccc1[*:1] C[C@@H](NCCc1nc[nH]n1)c1ccc(cc1)[*:1]
CC(C)Cc1cc(C(=O)NCc2csc(N3CCOCC3)n2)n(C)n1 CC(C)C[*:1] Cn1nc(cc1C(=O)NCc1csc(n1)N1CCOCC1)[*:1]
CC(C)Cc1cc(C(=O)NCc2csc(N3CCOCC3)n2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)NCc1csc(n1)N1CCOCC1)C[*:1]
CC(C)Cc1cc(C(=O)NCc2csc(N3CCOCC3)n2)n(C)n1 C1CN(CCO1)[*:1] CC(C)Cc1cc(C(=O)NCc2csc(n2)[*:1])n(C)n1
COc1cc2c(cc1OC)CN(C(=O)CSc1nc(C)c(CC(N)=O)s1)CC2 NC(=O)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CSc1nc(C)c(C[*:1])s1
COc1cc2c(cc1OC)CN(C(=O)CSc1nc(C)c(CC(N)=O)s1)CC2 NC(=O)C[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CSc1nc(C)c(s1)[*:1]
CSC[C@@H](CCO)NC(=O)Nc1cc(Cl)ccc1N1CCCCC1 C1CCN(CC1)[*:1] CSC[C@@H](CCO)NC(=O)Nc1cc(Cl)ccc1[*:1]
CSC[C@@H](CCO)NC(=O)Nc1cc(Cl)ccc1N1CCCCC1 OCC[*:1] CSC[C@@H](NC(=O)Nc1cc(Cl)ccc1N1CCCCC1)[*:1]
CSC[C@@H](CCO)NC(=O)Nc1cc(Cl)ccc1N1CCCCC1 CSC[*:1] O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@H](CCO)[*:1]
CC[NH2+][C@H](CC)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CC[NH2+][C@H](CC)c1cc(ccc1F)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)N1CCC(C(=O)NCCc2cccs2)CC1 c1csc(c1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CCC(CC1)C(=O)NCC[*:1]
C[C@@H]1OCC[C@@H]1C(=O)N1CCC(C(=O)NCCc2cccs2)CC1 c1csc(c1)C[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CCC(CC1)C(=O)NC[*:1]
C[C@@H]1OCC[C@@H]1C(=O)N1CCC(C(=O)NCCc2cccs2)CC1 c1csc(c1)CC[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cc(NC(=O)Nc2sc(C)c(C)c2C(=O)[O-])ccn1 O=C([O-])[*:1] Cc1cc(ccn1)NC(=O)Nc1sc(C)c(C)c1[*:1]
Cc1cc(NC(=O)Nc2sc(C)c(C)c2C(=O)[O-])ccn1 Cc1cc(ccn1)[*:1] Cc1sc(NC(=O)N[*:1])c(C(=O)[O-])c1C
CCOC(=O)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl CCOC(=O)C[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[*:1]
CCOC(=O)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl CCOC(=O)[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[*:1]
O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)NCCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)c1ccccc1)NCC[*:1]
O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)NCCc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)[*:1])NCCc1cccc(Cl)c1
O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)NCCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C(C[NH+]1CCC(CC1)C(=O)c1ccccc1)NC[*:1]
O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)NCCc1cccc(Cl)c1 Clc1cccc(c1)CC[*:1] O=C(C[NH+]1CCC(CC1)C(=O)c1ccccc1)N[*:1]
O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)NCCc1cccc(Cl)c1 O=C(c1ccccc1)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])NCCc1cccc(Cl)c1
CCO[C@]1(C)OC(N)=C(C#N)C1=C(C#N)C#N CCO[*:1] C[C@@]1(OC(N)=C(C#N)C1=C(C#N)C#N)[*:1]
O[C@@H](Cn1ccnc1-c1ccncc1)c1cccnc1 c1cncc(c1)[*:1] O[C@@H](Cn1ccnc1-c1ccncc1)[*:1]
O[C@@H](Cn1ccnc1-c1ccncc1)c1cccnc1 c1cc(ccn1)[*:1] O[C@@H](Cn1ccnc1[*:1])c1cccnc1
CC(C)[C@H](CO)NC(=O)CCOc1cccc(N)c1 CC(C)[C@H](CO)[*:1] Nc1cccc(c1)OCCC(=O)N[*:1]
CC(C)[C@H](CO)NC(=O)CCOc1cccc(N)c1 CC(C)[*:1] Nc1cccc(c1)OCCC(=O)N[C@@H](CO)[*:1]
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]3OCCC[C@@H]3C2)n1 CC(C)(C)[*:1] N#Cc1cn(nc1NC(=O)C(=O)N1CC[C@H]2OCCC[C@@H]2C1)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)N=N2)[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1OC FC(F)(F)Oc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)NC1N=NC(=O)C=1[C@H]2[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)N=N2)[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1OC FC(F)(F)O[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)NC1N=NC(=O)C=1[C@@H]2c1ccc(cc1)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)N=N2)[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)NC1N=NC(=O)C=1[C@@H]2c1ccc(cc1)O[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)N=N2)[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1OC COc1ccc(cc1OC)[*:1] O=C1C[C@H](CC2NC3N=NC(=O)C=3[C@@H](C=21)c1ccc(cc1)OC(F)(F)F)[*:1]
O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccccc1C(=O)N[*:1]
O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(N/N=C/C=C[*:1])C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccccc1[*:1]
O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 C(=C[*:1])c1ccccc1 O=C(NN=C[*:1])C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
C[C@H](NC(=O)C(=O)c1ccccc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)C(=O)c1ccccc1)[*:1]
O=C(NCCCCC[NH+]1CCCCC1)c1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(NCCCCC[NH+]1CCCCC1)[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1 CC(C)NC(=O)N[*:1] NC(=O)Cc1ccc(cc1)NC(=O)c1ccc(cc1)C[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1 NC(=O)C[*:1] CC(C)NC(=O)NCc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1 NC(=O)[*:1] CC(C)NC(=O)NCc1ccc(cc1)C(=O)Nc1ccc(cc1)C[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1 CC(C)[*:1] NC(=O)Cc1ccc(cc1)NC(=O)c1ccc(cc1)CNC(=O)N[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1 CC(C)NC(=O)NC[*:1] NC(=O)Cc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)C[NH+]1CCC(CC1)[*:1]
COc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C[NH+]1CCC(CC1)C[*:1]
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCc1cccc(C#N)c1 C[S@](=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)NCc1cccc(C#N)c1
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)NC[*:1]
CCOC(=O)C1CCN(C(=O)Cc2csc(NC(=O)NC3CCCC3)n2)CC1 O=C(NC1CCCC1)N[*:1] CCOC(=O)C1CCN(CC1)C(=O)Cc1csc(n1)[*:1]
CCOC(=O)C1CCN(C(=O)Cc2csc(NC(=O)NC3CCCC3)n2)CC1 CCOC(=O)[*:1] O=C(Nc1nc(cs1)CC(=O)N1CCC(CC1)[*:1])NC1CCCC1
CCOC(=O)C1CCN(C(=O)Cc2csc(NC(=O)NC3CCCC3)n2)CC1 C1CCC(C1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)Cc1csc(n1)NC(=O)N[*:1]
C[C@H](OC(=O)c1ccc2c(c1)COC2)c1nnc(-c2cccs2)o1 c1csc(c1)[*:1] C[C@H](OC(=O)c1ccc2COCc2c1)c1nnc(o1)[*:1]
CCc1nn(C)cc1CNC(=O)N[C@@H](c1ccccc1C)C1CC1 C1CC1[*:1] CCc1nn(C)cc1CNC(=O)N[C@@H](c1ccccc1C)[*:1]
CCc1nn(C)cc1CNC(=O)N[C@@H](c1ccccc1C)C1CC1 CCc1nn(C)cc1[*:1] Cc1ccccc1[C@H](NC(=O)NC[*:1])C1CC1
CCc1nn(C)cc1CNC(=O)N[C@@H](c1ccccc1C)C1CC1 Cc1ccccc1[*:1] CCc1nn(C)cc1CNC(=O)N[C@@H](C1CC1)[*:1]
Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCN(c2nccs2)CC1 Cc1cccc(C)c1[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)c1nccs1
Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCN(CC1)[*:1]
Cc1nn(C)cc1-c1ccnc(NCc2ccon2)n1 c1cc(C[*:1])no1 Cc1nn(C)cc1-c1ccnc(n1)N[*:1]
Cc1nn(C)cc1-c1ccnc(NCc2ccon2)n1 c1cc(no1)[*:1] Cc1nn(C)cc1-c1ccnc(n1)NC[*:1]
NC(=O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)c([N+](=O)[O-])c1 NC(=O)[*:1] O=c1ccc(cn1Cc1ccc(cc1[N+](=O)[O-])[*:1])C(F)(F)F
NC(=O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)c([N+](=O)[O-])c1 FC(F)(F)[*:1] NC(=O)c1ccc(Cn2cc(ccc2=O)[*:1])c(c1)[N+](=O)[O-]
NC(=O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(Cn2cc(ccc2=O)C(F)(F)F)c(c1)[*:1]
C[C@H](CNC(=O)c1coc(C[NH+]2CCN(c3ncccn3)CC2)n1)c1ccccc1 c1cnc(nc1)[*:1] C[C@H](CNC(=O)c1coc(C[NH+]2CCN(CC2)[*:1])n1)c1ccccc1
C[C@H](CNC(=O)c1coc(C[NH+]2CCN(c3ncccn3)CC2)n1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(NC[*:1])c1coc(C[NH+]2CCN(CC2)c2ncccn2)n1
C[C@H](CNC(=O)c1coc(C[NH+]2CCN(c3ncccn3)CC2)n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1coc(C[NH+]2CCN(CC2)c2ncccn2)n1)[*:1]
C[C@H](CNC(=O)c1coc(C[NH+]2CCN(c3ncccn3)CC2)n1)c1ccccc1 C[C@H](C[*:1])c1ccccc1 O=C(N[*:1])c1coc(C[NH+]2CCN(CC2)c2ncccn2)n1
Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CC[C@H](C)[C@H](O)C1 Cc1nnnn1[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)C(=Cc1ccccc1)[*:1]
Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CC[C@H](C)[C@H](O)C1 c1ccc(cc1)[*:1] Cc1nnnn1C(=C[*:1])C(=O)N1CC[C@H](C)[C@H](O)C1
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)NC(=O)c1cc(ccc1Cl)[*:1]
CCOc1ncccc1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 CCO[*:1] C[NH+]1CCN(CC1)[C@H]1CCCCN(C1)C(=O)c1cccnc1[*:1]
O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCS[C@H](c2ccccc2)C1 c1cc(n[nH]1)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCS[C@@H](C1)c1ccccc1
O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCS[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)N1CCS[C@H](C1)[*:1]
O=S(=O)(CCCOCC(F)(F)F)c1cc2c(cc1Cl)OCCO2 FC(F)(F)COC[*:1] O=S(=O)(CC[*:1])c1cc2OCCOc2cc1Cl
O=S(=O)(CCCOCC(F)(F)F)c1cc2c(cc1Cl)OCCO2 FC(F)(F)[*:1] O=S(=O)(CCCOC[*:1])c1cc2OCCOc2cc1Cl
O=S(=O)(CCCOCC(F)(F)F)c1cc2c(cc1Cl)OCCO2 FC(F)(F)CO[*:1] O=S(=O)(CCC[*:1])c1cc2OCCOc2cc1Cl
O=S(=O)(CCCOCC(F)(F)F)c1cc2c(cc1Cl)OCCO2 FC(F)(F)C[*:1] O=S(=O)(CCCO[*:1])c1cc2OCCOc2cc1Cl
CC(C)CCO[C@@H]1CCN(C(=O)c2cc3cccc(F)c3o2)C1 CC(C)[*:1] O=C(c1cc2cccc(F)c2o1)N1CC[C@H](C1)OCC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2cc3cccc(F)c3o2)C1 CC(C)CC[*:1] O=C(c1cc2cccc(F)c2o1)N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2cc3cccc(F)c3o2)C1 CC(C)CCO[*:1] O=C(c1cc2cccc(F)c2o1)N1CC[C@H](C1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)c2cc3cccc(F)c3o2)C1 CC(C)C[*:1] O=C(c1cc2cccc(F)c2o1)N1CC[C@H](C1)OC[*:1]
O=C(OCc1nc2ccccc2o1)c1occc1COc1ccccc1 c1ccc(cc1)[*:1] O=C(OCc1nc2ccccc2o1)c1occc1CO[*:1]
O=C(OCc1nc2ccccc2o1)c1occc1COc1ccccc1 c1ccc(cc1)OC[*:1] O=C(OCc1nc2ccccc2o1)c1occc1[*:1]
O=C(OCc1nc2ccccc2o1)c1occc1COc1ccccc1 c1ccc(cc1)O[*:1] O=C(OCc1nc2ccccc2o1)c1occc1C[*:1]
Cc1csc([C@H](NC(=O)N2CCOC[C@H]2C2CC2)C2CC2)n1 Cc1csc(n1)[*:1] O=C(N[C@H](C1CC1)[*:1])N1CCOC[C@H]1C1CC1
Cc1csc([C@H](NC(=O)N2CCOC[C@H]2C2CC2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](NC(=O)N1CCOC[C@@H]1[*:1])C1CC1
Cc1csc([C@H](NC(=O)N2CCOC[C@H]2C2CC2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](NC(=O)N1CCOC[C@H]1C1CC1)[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C[C@@H](C)CC)n1 CC[C@H](C)[*:1] CCc1ccccc1-n1cc([O-])c(n1)C(=O)N(C)C[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C[C@@H](C)CC)n1 CC[C@H](C)C[*:1] CCc1ccccc1-n1cc([O-])c(n1)C(=O)N(C)[*:1]
Cc1cc(F)ccc1[C@H](O)c1ncc[nH]1 c1c[nH]c(n1)[*:1] Cc1cc(F)ccc1[C@H](O)[*:1]
CCN(C)C(=O)[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC COc1ccc(OC)c(c1)[*:1] CCN(C)C(=O)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1ccccc1F
CCN(C)C(=O)[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC CCN(C)C(=O)[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccccc1F
CCN(C)C(=O)[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC Fc1ccccc1[*:1] CCN(C)C(=O)[C@@H]1CN(C[C@H]1c1cc(ccc1OC)OC)C(=O)[*:1]
CCc1ccc(N(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccccc2)cc1 CCc1ccc(cc1)[*:1] C[C@H](C(=O)N(S(=O)(=O)c1ccccc1)[*:1])N1C(=O)c2ccccc2C1=O
CCc1ccc(N(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)N(C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)S(=O)(=O)[*:1]
CCc1ccc(N(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccccc2)cc1 O=C1c2ccccc2C(=O)N1[*:1] CCc1ccc(cc1)N(C(=O)[C@@H](C)[*:1])S(=O)(=O)c1ccccc1
N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)cc1 N#Cc1ccc(cc1)[*:1] OC1C[C@@H](c2ncn(-c3ccc(cc3)C(F)(F)F)c2N=1)[*:1]
N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)[C@H]1CC(O)=Nc2c1ncn2-c1ccc(cc1)[*:1]
CCCc1cc(NC(=O)C(=O)N2CCC[C@H]2C2CCC2)n(C)n1 C1CC(C1)[*:1] CCCc1cc(NC(=O)C(=O)N2CCC[C@@H]2[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N2CCC[C@H]2C2CCC2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)C(=O)N1CCC[C@H]1C1CCC1)[*:1]
Cc1nc(CCNC(=O)[C@H](C)NC(=O)C2CCCC2)cs1 C1CCC(C1)[*:1] Cc1nc(cs1)CCNC(=O)[C@H](C)NC(=O)[*:1]
Cc1nc(CCNC(=O)[C@H](C)NC(=O)C2CCCC2)cs1 Cc1nc(cs1)[*:1] C[C@H](NC(=O)C1CCCC1)C(=O)NCC[*:1]
Cc1nc(CCNC(=O)[C@H](C)NC(=O)C2CCCC2)cs1 Cc1nc(cs1)C[*:1] C[C@H](NC(=O)C1CCCC1)C(=O)NC[*:1]
Cc1cc2c(cc1C)[C@@H](NCCc1cccc(C(N)=O)c1)CCO2 NC(=O)[*:1] Cc1cc2OCC[C@H](NCCc3cccc(c3)[*:1])c2cc1C
Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](c3ccccc3F)C2)c(Cl)c1 Fc1ccccc1[*:1] Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](C2)[*:1])c(Cl)c1
Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](c3ccccc3F)C2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] C[C@H](C(=O)N[*:1])N1CCO[C@@H](C1)c1ccccc1F
COc1ccc2c(c1)C(N1CCN(C(=O)c3ccc(F)cc3)CC1)=Nc1ccccc1O2 Fc1ccc(cc1)[*:1] COc1ccc2Oc3ccccc3N=C(c2c1)N1CCN(CC1)C(=O)[*:1]
CCC[C@@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C CCC[C@@H](CC)[*:1] Cc1cc(N)c(cc1S(=O)(=O)N[*:1])[N+](=O)[O-]
CCC[C@@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C CCC[*:1] CC[C@@H](NS(=O)(=O)c1cc(c(N)cc1C)[N+](=O)[O-])[*:1]
CCC[C@@H](CC)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C O=[N+]([O-])[*:1] CCC[C@@H](CC)NS(=O)(=O)c1cc(c(N)cc1C)[*:1]
COc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC(O)=Nc2c(C)c(-c3ccc(C)cc3)nn21 O=C([O-])[*:1] COc1ccc(cc1NC(=O)[C@H]1CC(O)=Nc2c(C)c(nn21)-c1ccc(C)cc1)[*:1]
COc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC(O)=Nc2c(C)c(-c3ccc(C)cc3)nn21 Cc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)[C@H]1CC(O)=Nc2c(C)c(nn21)[*:1])C(=O)[O-]
CC(C)[NH+](Cc1nc2ccccc2o1)CC1CC[NH2+]CC1 CC(C)[*:1] c1ccc2oc(C[NH+](CC3CC[NH2+]CC3)[*:1])nc2c1
O=C(NCc1cccnc1-n1cncn1)c1cc(-c2ccccc2Cl)[nH]n1 Clc1ccccc1[*:1] O=C(NCc1cccnc1-n1cncn1)c1cc([nH]n1)[*:1]
O=C(NCc1cccnc1-n1cncn1)c1cc(-c2ccccc2Cl)[nH]n1 c1ncn(n1)[*:1] O=C(NCc1cccnc1[*:1])c1cc([nH]n1)-c1ccccc1Cl
Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nncn2-c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)CSc2nncn2-c2ccccc2)n(n1)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nncn2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)CSc1nncn1[*:1]
Cc1ccc(N(CCC#N)C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1C Cc1ccc(cc1C)[*:1] N#CCCN(C(=O)Cn1nc(oc1=O)-c1ccc(F)cc1)[*:1]
Cc1ccc(N(CCC#N)C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1C N#CCC[*:1] Cc1ccc(cc1C)N(C(=O)Cn1nc(oc1=O)-c1ccc(F)cc1)[*:1]
Cc1ccc(N(CCC#N)C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)N(CCC#N)C(=O)Cn1nc(oc1=O)[*:1]
Cc1ccc(N(CCC#N)C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1C N#CC[*:1] Cc1ccc(cc1C)N(C[*:1])C(=O)Cn1nc(oc1=O)-c1ccc(F)cc1
COc1cc(OC)c(NS(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)cc1Cl Cc1cc(on1)[*:1] COc1cc(OC)c(cc1Cl)NS(=O)(=O)c1ccc(cc1OC)[*:1]
CC(C)C(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)NC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] CC(C)C(=O)N1CCC(CC1)(C[C@@H]1CC(=NO1)c1ccccc1)C(=O)NC[*:1]
CC(C)C(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)NC[C@H]2CCCO2)CC1 CC(C)[*:1] O=C(NC[C@H]1CCCO1)C1(CCN(CC1)C(=O)[*:1])C[C@@H]1CC(=NO1)c1ccccc1
CC(C)C(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)NC[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] CC(C)C(=O)N1CCC(CC1)(C[C@@H]1CC(=NO1)c1ccccc1)C(=O)N[*:1]
CC(C)C(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)NC[C@H]2CCCO2)CC1 c1ccc(cc1)[*:1] CC(C)C(=O)N1CCC(CC1)(C[C@@H]1CC(=NO1)[*:1])C(=O)NC[C@H]1CCCO1
CC(C)C(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)NC[C@H]2CCCO2)CC1 O=C(NC[C@H]1CCCO1)[*:1] CC(C)C(=O)N1CCC(CC1)(C[C@@H]1CC(=NO1)c1ccccc1)[*:1]
CC(C)n1nnnc1SCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 CC(C)n1nnnc1[*:1] C[C@H](c1cc2ccccc2o1)N(C)C(=O)CS[*:1]
CC(C)n1nnnc1SCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 CC(C)[*:1] C[C@H](c1cc2ccccc2o1)N(C)C(=O)CSc1nnnn1[*:1]
CC[C@H](NC(=O)N1CCc2cc(F)ccc2C1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)N1CCc2cc(F)ccc2C1)[*:1]
Cc1n[nH]c(-c2ccc(NC(=O)C(=O)N3CCC[C@@H](O)C3)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CCC[C@@H](O)C1
Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)s2)sc1C Cc1nc(sc1C)[*:1] Cc1sc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)[*:1]
Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)s2)sc1C Clc1ccc(cc1)[*:1] Cc1nc(sc1C)-c1cc(c(C)s1)S(=O)(=O)N[*:1]
CCCNC(=O)N(CC)Cc1ccc2c(c1)OCO2 CCC[*:1] CCN(Cc1ccc2OCOc2c1)C(=O)N[*:1]
COc1ccccc1CNC(=O)CS(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1CNC(=O)CS(=O)(=O)[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-c1ccc(F)cc1
Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)n1 Fc1ccc(cc1)[*:1] Cc1cccc(n1)NC(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
O=C(O/N=C(/c1ccccc1)c1ccncc1)c1ccco1 c1cc(ccn1)[*:1] O=C(ON=C(c1ccccc1)[*:1])c1ccco1
O=C(O/N=C(/c1ccccc1)c1ccncc1)c1ccco1 c1coc(c1)[*:1] O=C(O/N=C(/c1ccccc1)c1ccncc1)[*:1]
O=C(O/N=C(/c1ccccc1)c1ccncc1)c1ccco1 c1ccc(cc1)[*:1] O=C(O/N=C(\c1ccncc1)[*:1])c1ccco1
C[C@@H](NC(=O)NCc1nc(-c2cccs2)n[nH]1)[C@H]1CCCO1 c1csc(c1)[*:1] C[C@@H](NC(=O)NCc1nc(n[nH]1)[*:1])[C@H]1CCCO1
C[C@@H](NC(=O)NCc1nc(-c2cccs2)n[nH]1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)NCc1nc(n[nH]1)-c1cccs1)[*:1]
COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 Clc1ccccc1[*:1] COC(=O)[C@H](N1CCN(CC1)C(=O)C1CCN(CC1)S(C)(=O)=O)[*:1]
COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 CS(=O)(=O)N1CCC(CC1)[*:1] COC(=O)[C@H](c1ccccc1Cl)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 COC(=O)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)[C@@H](c1ccccc1Cl)[*:1]
COc1cccc(SCC(=O)Nc2ccc(N3CCCC3)nc2)c1 C1CCN(C1)[*:1] COc1cccc(c1)SCC(=O)Nc1ccc(nc1)[*:1]
COc1cccc(SCC(=O)Nc2ccc(N3CCCC3)nc2)c1 COc1cccc(c1)[*:1] O=C(CS[*:1])Nc1ccc(nc1)N1CCCC1
Cc1cccc(C)c1NC(=O)[C@H](C)N[C@H](C)c1ccc(C(F)(F)F)cc1 Cc1cccc(C)c1[*:1] C[C@H](N[C@H](C)c1ccc(cc1)C(F)(F)F)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)N[C@H](C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)N[C@H](C)c1ccc(cc1)[*:1]
CNS(=O)(=O)c1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)N[C@@H]1c2ccccc2C[C@H]1C)[*:1]
Cc1cccc(NC(=O)CCSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)c1C Cc1cccc(c1C)[*:1] Cn1c(=O)c2nc(SCCC(=O)N[*:1])n(C)c2n(C)c1=O
O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1SCCc2sccc21 FC(F)(F)[*:1] O=C(N[C@H]1CCN(C[*:1])C1=O)[C@@H]1SCCc2sccc21
O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1SCCc2sccc21 FC(F)(F)C[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])[C@@H]1SCCc2sccc21
CC[C@H](C)N(C)C(=O)Nc1ccc(Br)cc1F CC[C@H](C)[*:1] CN(C(=O)Nc1ccc(Br)cc1F)[*:1]
Cc1ccc(Oc2cnn(-c3ccc(F)cc3)c(=O)c2Nc2cccc(C(=O)N3CCCC3)c2)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)Oc1cnn(-c2ccc(F)cc2)c(=O)c1Nc1cccc(c1)[*:1]
Cc1ccc(Oc2cnn(-c3ccc(F)cc3)c(=O)c2Nc2cccc(C(=O)N3CCCC3)c2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)Oc1cnn(c(=O)c1Nc1cccc(c1)C(=O)N1CCCC1)[*:1]
Cc1ccc(Oc2cnn(-c3ccc(F)cc3)c(=O)c2Nc2cccc(C(=O)N3CCCC3)c2)cc1 Cc1ccc(cc1)O[*:1] O=C(c1cccc(c1)Nc1c(cnn(-c2ccc(F)cc2)c1=O)[*:1])N1CCCC1
Cc1ccc(Oc2cnn(-c3ccc(F)cc3)c(=O)c2Nc2cccc(C(=O)N3CCCC3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cccc(c1)Nc1c(cnn(-c2ccc(F)cc2)c1=O)O[*:1])N1CCCC1
CCCC(=O)N1CCC[C@H](C(=O)N[C@H](CC)C[NH+]2CCCC2)C1 CCC[*:1] CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@@H](NC(=O)c1cc(no1)-c1cccc(F)c1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@@H](NC(=O)c1cc(no1)-c1cccc(F)c1)c1ccc(cc1)NC(=O)[*:1]
C[C@@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc(NC(=O)C2CC2)cc1 Fc1cccc(c1)[*:1] C[C@@H](NC(=O)c1cc(no1)[*:1])c1ccc(cc1)NC(=O)C1CC1
C=C(C)[C@H]1CC=C(C)C(=NNC(N)=S)C1 C=C(C)[*:1] CC1=CC[C@@H](CC1=NNC(N)=S)[*:1]
CC(C)c1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 CC(C)c1ccc(cc1)C[*:1] O=S(=O)(NCc1nnc2CCN(CCn21)[*:1])c1ccccc1
CC(C)c1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)CN1CCc2nnc(CNS(=O)(=O)[*:1])n2CC1
CC(C)c1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 O=S(=O)(N[*:1])c1ccccc1 CC(C)c1ccc(cc1)CN1CCc2nnc(C[*:1])n2CC1
CC(C)c1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 CC(C)[*:1] O=S(=O)(NCc1nnc2CCN(CCn21)Cc1ccc(cc1)[*:1])c1ccccc1
CC(C)c1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=S(=O)(NCc1nnc2CCN(CCn21)C[*:1])c1ccccc1
NC(=O)N1CCC([NH+]2CCCN(S(=O)(=O)c3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] NC(=O)N1CCC(CC1)[NH+]1CCCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)Cc1ccccc1NC(=O)/C=C/c1cccc(C#N)c1 CCOC(=O)C[*:1] N#Cc1cccc(/C=C/C(=O)Nc2ccccc2[*:1])c1
CCOC(=O)Cc1ccccc1NC(=O)/C=C/c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CCOC(=O)Cc1ccccc1NC(=O)C=C[*:1]
CCOC(=O)Cc1ccccc1NC(=O)/C=C/c1cccc(C#N)c1 CCOC(=O)[*:1] N#Cc1cccc(/C=C/C(=O)Nc2ccccc2C[*:1])c1
N#C[C@H](Cc1ccncc1)C(=O)Nc1cc(Cl)ccc1Cl c1cc(ccn1)[*:1] N#C[C@H](C[*:1])C(=O)Nc1cc(Cl)ccc1Cl
N#C[C@H](Cc1ccncc1)C(=O)Nc1cc(Cl)ccc1Cl c1cc(ccn1)C[*:1] N#C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[*:1]
CCCCS(=O)(=O)NCC1(c2cccs2)CCCCC1 c1csc(c1)[*:1] CCCCS(=O)(=O)NCC1(CCCCC1)[*:1]
CCCCS(=O)(=O)NCC1(c2cccs2)CCCCC1 CCCC[*:1] O=S(=O)(NCC1(CCCCC1)c1cccs1)[*:1]
CCCCS(=O)(=O)NCC1(c2cccs2)CCCCC1 CCC[*:1] O=S(=O)(C[*:1])NCC1(CCCCC1)c1cccs1
COc1ccc(C)cc1NC(=O)Cn1c(-c2ccccc2)ncc(C(N)=O)c1=O COc1ccc(C)cc1[*:1] NC(=O)c1cnc(-c2ccccc2)n(CC(=O)N[*:1])c1=O
COc1ccc(C)cc1NC(=O)Cn1c(-c2ccccc2)ncc(C(N)=O)c1=O NC(=O)[*:1] COc1ccc(C)cc1NC(=O)Cn1c(ncc(c1=O)[*:1])-c1ccccc1
COc1ccc(C)cc1NC(=O)Cn1c(-c2ccccc2)ncc(C(N)=O)c1=O c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)Cn1c(ncc(C(N)=O)c1=O)[*:1]
Cc1cc(C)c(NC(=O)Cn2c(=O)n(C[C@@H]3CCCO3)c(=O)c3ccccc32)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccccc21)N[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cc(NS(=O)(=O)[*:1])n(n1)[C@H]1CCS(=O)(=O)C1
Oc1ccc(CNc2cc(-c3ccc(F)cc3)nc3ccnn23)cc1 Oc1ccc(cc1)C[*:1] Fc1ccc(cc1)-c1cc(N[*:1])n2nccc2n1
Oc1ccc(CNc2cc(-c3ccc(F)cc3)nc3ccnn23)cc1 Fc1ccc(cc1)[*:1] Oc1ccc(cc1)CNc1cc(nc2ccnn12)[*:1]
Oc1ccc(CNc2cc(-c3ccc(F)cc3)nc3ccnn23)cc1 Oc1ccc(cc1)[*:1] Fc1ccc(cc1)-c1cc(NC[*:1])n2nccc2n1
CC[C@@H](CO)[NH2+]Cc1ccccc1C(F)(F)F FC(F)(F)[*:1] CC[C@@H](CO)[NH2+]Cc1ccccc1[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ncc(Cl)cc2Cl)CC1 Clc1cnc(c(Cl)c1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCN(CC1)[*:1]
CCn1c(SC/C=C(/C)Cl)nc2ccccc2c1=O CC(Cl)=C[*:1] CCn1c(nc2ccccc2c1=O)SC[*:1]
CCn1c(SC/C=C(/C)Cl)nc2ccccc2c1=O C/C(Cl)=C/C[*:1] CCn1c(nc2ccccc2c1=O)S[*:1]
CCn1c(SC/C=C(/C)Cl)nc2ccccc2c1=O C/C(Cl)=C/CS[*:1] CCn1c(nc2ccccc2c1=O)[*:1]
C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCCc3ccncc3)c2)C1 c1cc(ccn1)[*:1] C[C@@H]1CCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)NCC[*:1]
C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCCc3ccncc3)c2)C1 C[C@@H]1CCCN(C1)C(=O)[*:1] O=S(=O)(NCCc1ccncc1)c1cccc(c1)[*:1]
C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCCc3ccncc3)c2)C1 c1cc(ccn1)C[*:1] C[C@@H]1CCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)NC[*:1]
C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCCc3ccncc3)c2)C1 c1cc(ccn1)CC[*:1] C[C@@H]1CCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
CC1(C)C(NS(=O)(=O)CC[NH2+]C2CC2)C1(C)C C1CC1[*:1] CC1(C)C(NS(=O)(=O)CC[NH2+][*:1])C1(C)C
O=C(NCC1CCN(c2ncccn2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 c1cnc(nc1)[*:1] O=C(NCC1CCN(CC1)[*:1])c1cc(cc(c1)C(F)(F)F)C(F)(F)F
O=C(NCC1CCN(c2ncccn2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCC1CCN(CC1)c1ncccn1)c1cc(cc(c1)[*:1])C(F)(F)F
CC(C)CN(CCC#N)C(=O)Cc1ccc(F)cc1F CC(C)C[*:1] N#CCCN(C(=O)Cc1ccc(F)cc1F)[*:1]
CC(C)CN(CCC#N)C(=O)Cc1ccc(F)cc1F CC(C)[*:1] N#CCCN(C[*:1])C(=O)Cc1ccc(F)cc1F
CC(C)CN(CCC#N)C(=O)Cc1ccc(F)cc1F N#CC[*:1] CC(C)CN(C[*:1])C(=O)Cc1ccc(F)cc1F
CC(C)CN(CCC#N)C(=O)Cc1ccc(F)cc1F N#CCC[*:1] CC(C)CN(C(=O)Cc1ccc(F)cc1F)[*:1]
C[NH+](CCOc1cccc(C(=O)NN)c1)CC(C)(C)O NNC(=O)[*:1] C[NH+](CCOc1cccc(c1)[*:1])CC(C)(C)O
C[NH+](CCOc1cccc(C(=O)NN)c1)CC(C)(C)O CC(C)(O)[*:1] C[NH+](CCOc1cccc(c1)C(=O)NN)C[*:1]
C[NH+](CCOc1cccc(C(=O)NN)c1)CC(C)(C)O CC(C)(O)C[*:1] C[NH+](CCOc1cccc(c1)C(=O)NN)[*:1]
CCOc1ccc(N[C@H]2CCC[C@@H]2C)cn1 CCO[*:1] C[C@H]1CCC[C@@H]1Nc1ccc(nc1)[*:1]
COC(=O)c1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)ccn1 COC(=O)[*:1] O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccnc(c1)[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(-c2nnc(C(=O)N3CCCC3)o2)c1 O=C(N1CCCC1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(c1)-c1nnc(o1)[*:1]
C[C@H](Cc1ccsc1)Nc1nc2ccccn2n1 c1cc(cs1)C[*:1] C[C@H](Nc1nc2ccccn2n1)[*:1]
C[C@H](Cc1ccsc1)Nc1nc2ccccn2n1 c1cc(cs1)[*:1] C[C@H](C[*:1])Nc1nc2ccccn2n1
C[NH+](CC[NH+]1CCCC1)Cc1nnc(-c2ccccc2F)o1 Fc1ccccc1[*:1] C[NH+](CC[NH+]1CCCC1)Cc1nnc(o1)[*:1]
Cc1ccc(-n2ncc3c(SCc4cccc(C)c4)ncnc32)cc1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1)-n1ncc2c(ncnc21)S[*:1]
Cc1ccc(-n2ncc3c(SCc4cccc(C)c4)ncnc32)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)CSc1ncnc2c1cnn2[*:1]
Cc1ccc(-n2ncc3c(SCc4cccc(C)c4)ncnc32)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)-n1ncc2c(ncnc21)SC[*:1]
CC(C)(C)C(=O)N1CCOc2nc(I)ccc21 CC(C)(C)[*:1] O=C(N1CCOc2nc(I)ccc21)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc2c(c1)COCO2 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1ccc2OCOCc2c1)[*:1]
CC(C)CC[C@@H](C)NC(=O)C(=O)Nc1cccc(F)c1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)C(=O)Nc1cccc(F)c1
CC(C)CC[C@@H](C)NC(=O)C(=O)Nc1cccc(F)c1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1cccc(F)c1
CC(C)CC[C@@H](C)NC(=O)C(=O)Nc1cccc(F)c1 CC(C)CC[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(F)c1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)CO C[C@@H](CO)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NC[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)Cn1c(=O)cnc2ccccc21 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)[*:1]
CCCCOc1c(F)c(F)c(C(=O)Cl)c(F)c1F CCCCO[*:1] O=C(Cl)c1c(F)c(F)c(c(F)c1F)[*:1]
CCCCOc1c(F)c(F)c(C(=O)Cl)c(F)c1F O=C(Cl)[*:1] CCCCOc1c(F)c(F)c(c(F)c1F)[*:1]
CCCCOc1c(F)c(F)c(C(=O)Cl)c(F)c1F CCC[*:1] O=C(Cl)c1c(F)c(F)c(OC[*:1])c(F)c1F
CCCCOc1c(F)c(F)c(C(=O)Cl)c(F)c1F CCCC[*:1] O=C(Cl)c1c(F)c(F)c(O[*:1])c(F)c1F
Cc1cc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)c(C)n1C Cc1cc(c(C)n1C)[*:1] O=C(Nc1nc(cs1)[*:1])c1cc2ccccc2o1
[NH3+][C@H](COc1ccccc1)Cc1cc(F)cc(Br)c1 c1ccc(cc1)[*:1] [NH3+][C@H](CO[*:1])Cc1cc(F)cc(Br)c1
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cncn1-c1ccccc1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cncn1-c1ccccc1
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cncn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCC1)c1cncn1[*:1]
C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[C@@H](c2ccc(Cl)cc2)[*:1])C1=O)C1CC1
C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[C@@H](c2ccccc2)[*:1])C1=O)C1CC1
C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1=O)[*:1]
Cc1ccc(Cn2nccc2NC(=O)Cc2csc(C(C)C)n2)o1 CC(C)[*:1] Cc1ccc(Cn2nccc2NC(=O)Cc2csc(n2)[*:1])o1
Cc1ccc(Cn2nccc2NC(=O)Cc2csc(C(C)C)n2)o1 Cc1ccc(o1)[*:1] CC(C)c1nc(cs1)CC(=O)Nc1ccnn1C[*:1]
Cc1ccc(Cn2nccc2NC(=O)Cc2csc(C(C)C)n2)o1 Cc1ccc(C[*:1])o1 CC(C)c1nc(cs1)CC(=O)Nc1ccnn1[*:1]
Cc1ccc(Cn2nccc2NC(=O)Cc2csc(C(C)C)n2)o1 CC(C)c1nc(cs1)[*:1] Cc1ccc(Cn2nccc2NC(=O)C[*:1])o1
Cc1cccc(C(C)C)c1NC(=O)C(=O)NCCCn1cc[nH+]c1 CC(C)[*:1] Cc1cccc(c1NC(=O)C(=O)NCCCn1cc[nH+]c1)[*:1]
COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])NC(=O)CCc1c[nH]c2ccccc12
CCCNC(=O)N[C@@H](c1ccccc1OC)c1nccn1C Cn1ccnc1[*:1] CCCNC(=O)N[C@@H](c1ccccc1OC)[*:1]
CCCNC(=O)N[C@@H](c1ccccc1OC)c1nccn1C CCC[*:1] COc1ccccc1[C@H](NC(=O)N[*:1])c1nccn1C
CCCNC(=O)N[C@@H](c1ccccc1OC)c1nccn1C CCCNC(=O)N[*:1] COc1ccccc1[C@@H](c1nccn1C)[*:1]
COc1cc([C@]2(O)CCO[C@@H](C(C)C)C2)ccc1Cl CC(C)[*:1] COc1cc(ccc1Cl)[C@]1(O)CCO[C@@H](C1)[*:1]
COc1ccc(OC)c2c1CN(c1nc3sccn3c1[N+](=O)[O-])C[C@@H]2O O=[N+]([O-])[*:1] COc1ccc(OC)c2c1CN(C[C@@H]2O)c1nc2sccn2c1[*:1]
O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1
O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 c1cc2OCCCOc2cc1[*:1] O=C(Nc1ccc(cc1)N1CCCC1=O)C1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](C(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)[C@@H](C)c1ccccc1F C[C@H](c1ccccc1)[*:1] C[C@@H](C(=O)NC[*:1])S(=O)(=O)[C@@H](C)c1ccccc1F
C[C@@H](C(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)[C@@H](C)c1ccccc1F Fc1ccccc1[*:1] C[C@@H](C(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)[C@@H](C)[*:1]
C[C@@H](C(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)[C@@H](C)c1ccccc1F c1ccc(cc1)[*:1] C[C@@H](C(=O)NC[C@H](C)[*:1])S(=O)(=O)[C@@H](C)c1ccccc1F
CC(C)(C)CNc1ccccc1OCc1cscn1 CC(C)(C)C[*:1] c1ccc(OCc2cscn2)c(c1)N[*:1]
CC(C)(C)CNc1ccccc1OCc1cscn1 CC(C)(C)[*:1] c1ccc(OCc2cscn2)c(c1)NC[*:1]
CC(C)(C)CNc1ccccc1OCc1cscn1 c1nc(cs1)C[*:1] CC(C)(C)CNc1ccccc1O[*:1]
CC(C)(C)CNc1ccccc1OCc1cscn1 CC(C)(C)CN[*:1] c1ccc(c(c1)OCc1cscn1)[*:1]
CC(C)(C)CNc1ccccc1OCc1cscn1 c1nc(cs1)[*:1] CC(C)(C)CNc1ccccc1OC[*:1]
CC(C)OC(=O)c1cn(C)c(=O)c2ccccc12 CC(C)[*:1] Cn1cc(C(=O)O[*:1])c2ccccc2c1=O
CC(C)OC(=O)c1cn(C)c(=O)c2ccccc12 CC(C)OC(=O)[*:1] Cn1cc(c2ccccc2c1=O)[*:1]
CC[C@@H](CC[NH3+])CCC(=O)N[C@@H]1CCCCC1(C)C [NH3+]CC[*:1] CC[C@@H](CCC(=O)N[C@@H]1CCCCC1(C)C)[*:1]
CC(=O)OC1CC[NH+](Cc2cc(C#N)cs2)CC1 CC(=O)O[*:1] N#Cc1csc(c1)C[NH+]1CCC(CC1)[*:1]
Cc1ccc([C@@H]2CSCCN2Cc2nc(CC(C)C)no2)o1 Cc1ccc(o1)[*:1] CC(C)Cc1noc(CN2CCSC[C@H]2[*:1])n1
Cc1ccc([C@@H]2CSCCN2Cc2nc(CC(C)C)no2)o1 CC(C)[*:1] Cc1ccc(o1)[C@@H]1CSCCN1Cc1nc(C[*:1])no1
Cc1ccc([C@@H]2CSCCN2Cc2nc(CC(C)C)no2)o1 CC(C)C[*:1] Cc1ccc(o1)[C@@H]1CSCCN1Cc1nc(no1)[*:1]
O=C(c1cccc(Cn2cnc3ccccc3c2=O)c1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=c1c2ccccc2ncn1Cc1cccc(c1)[*:1]
Cc1ccccc1SCC(=O)[C@@H]1CCO[C@]2(CCSC2)C1 Cc1ccccc1[*:1] O=C(CS[*:1])[C@@H]1CCO[C@]2(CCSC2)C1
CN[C@@]1(C(=O)OC)CC[C@H](Sc2ncccc2Br)C1 COC(=O)[*:1] CN[C@]1(CC[C@@H](C1)Sc1ncccc1Br)[*:1]
Cc1cnc(N2CCCN(C(=O)c3ccoc3)CC2)nc1-c1ncnn1C Cn1ncnc1[*:1] Cc1cnc(nc1[*:1])N1CCCN(CC1)C(=O)c1ccoc1
Cc1cnc(N2CCCN(C(=O)c3ccoc3)CC2)nc1-c1ncnn1C c1cc(co1)[*:1] Cc1cnc(nc1-c1ncnn1C)N1CCCN(CC1)C(=O)[*:1]
O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2)CC1 O=[N+]([O-])[*:1] O=C(CCc1cccc(c1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCc1cccc(c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
C[C@H](Sc1nnnn1C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 C1CO[C@H](C1)C[*:1] C[C@H](Sc1nnnn1[*:1])c1cccc(c1)[N+](=O)[O-]
C[C@H](Sc1nnnn1C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 C1CO[C@H](C1)[*:1] C[C@H](Sc1nnnn1C[*:1])c1cccc(c1)[N+](=O)[O-]
C[C@H](Sc1nnnn1C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](Sc1nnnn1C[C@H]1CCCO1)c1cccc(c1)[*:1]
C[C@H]1C[C@H]([NH3+])CN(C(=O)c2cccc(C(N)=O)c2)C1 NC(=O)[*:1] C[C@H]1C[C@H]([NH3+])CN(C1)C(=O)c1cccc(c1)[*:1]
C#CCOC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 C#CC[*:1] O=C([C@@H]1CC(=O)N(C1)c1ccc(F)cc1)N1CCC[C@H](CO[*:1])C1
C#CCOC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 Fc1ccc(cc1)[*:1] C#CCOC[C@H]1CCCN(C1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C#CCOC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 C#CCO[*:1] O=C([C@@H]1CC(=O)N(C1)c1ccc(F)cc1)N1CCC[C@@H](C1)C[*:1]
C#CCOC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 C#CCOC[*:1] O=C([C@@H]1CC(=O)N(C1)c1ccc(F)cc1)N1CCC[C@@H](C1)[*:1]
CCC(C)(C)NC(=O)CSC1=N[C@@H](C)CS1 CCC(C)(C)[*:1] C[C@H]1CSC(=N1)SCC(=O)N[*:1]
C#CCNC(=O)Cn1nc2n(c1=O)CCCC2 C#CC[*:1] O=C(Cn1nc2CCCCn2c1=O)N[*:1]
CSc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1 CC(C)[*:1] CSc1ccc(cc1)CNC(=O)C1CC[NH+](CC1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(N2CCCCCC2)nc1 C1CCCN(CC1)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(nc1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(N2CCCCCC2)nc1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)c1ccc(nc1)N1CCCCCC1)[*:1]
Clc1ccccc1-c1ncnn1CN1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] Clc1ccccc1-c1ncnn1CN1CCO[C@H](C1)[*:1]
Clc1ccccc1-c1ncnn1CN1CCO[C@H](c2ccccc2)C1 Clc1ccccc1[*:1] c1ccc(cc1)[C@@H]1CN(CCO1)Cn1ncnc1[*:1]
C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 FC(F)(F)c1cccc(c1)[*:1] C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2cccc(c2)[*:1])C1
Cc1[nH]nc(O)c1CC(=O)N/N=C/c1ccccc1[N+](=O)[O-] Cc1[nH]nc(O)c1[*:1] O=C(C[*:1])N/N=C/c1ccccc1[N+](=O)[O-]
Cc1[nH]nc(O)c1CC(=O)N/N=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1[nH]nc(O)c1CC(=O)N/N=C/c1ccccc1[*:1]
CCOC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] CCOC(=O)Nc1ccc(cc1)N[C@H](C)C(=O)N[*:1]
CCOC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 CCOC(=O)N[*:1] C[C@@H](Nc1ccc(cc1)[*:1])C(=O)Nc1ccc(F)c(F)c1
Cc1cccc(NC(=O)CON=C2CCN(C(=O)C(C)C)CC2)c1C Cc1cccc(c1C)[*:1] CC(C)C(=O)N1CCC(CC1)=NOCC(=O)N[*:1]
Cc1cccc(NC(=O)CON=C2CCN(C(=O)C(C)C)CC2)c1C CC(C)[*:1] Cc1cccc(NC(=O)CON=C2CCN(CC2)C(=O)[*:1])c1C
CN(C)c1cccc([C@H]2CCCN2C(=O)NCc2ncn(C)n2)c1 Cn1cnc(n1)[*:1] CN(C)c1cccc(c1)[C@H]1CCCN1C(=O)NC[*:1]
CN(C)c1cccc([C@H]2CCCN2C(=O)NCc2ncn(C)n2)c1 CN(C)[*:1] Cn1cnc(CNC(=O)N2CCC[C@@H]2c2cccc(c2)[*:1])n1
CN(C)c1cccc([C@H]2CCCN2C(=O)NCc2ncn(C)n2)c1 Cn1cnc(C[*:1])n1 CN(C)c1cccc(c1)[C@H]1CCCN1C(=O)N[*:1]
CCc1ccc(CNC(=O)[C@H](CC)n2nc(C)c3sc4ccccc4c3c2=O)cc1 CCc1ccc(cc1)[*:1] CC[C@@H](C(=O)NC[*:1])n1nc(C)c2sc3ccccc3c2c1=O
CCc1ccc(CNC(=O)[C@H](CC)n2nc(C)c3sc4ccccc4c3c2=O)cc1 CCc1ccc(cc1)C[*:1] CC[C@@H](C(=O)N[*:1])n1nc(C)c2sc3ccccc3c2c1=O
O=C(CCOc1ccccc1)NNS(=O)(=O)c1cc(Cl)ccc1Cl c1ccc(cc1)[*:1] O=C(CCO[*:1])NNS(=O)(=O)c1cc(Cl)ccc1Cl
O=C(CCOc1ccccc1)NNS(=O)(=O)c1cc(Cl)ccc1Cl c1ccc(cc1)O[*:1] O=C(CC[*:1])NNS(=O)(=O)c1cc(Cl)ccc1Cl
O=C(CCOc1ccccc1)NNS(=O)(=O)c1cc(Cl)ccc1Cl c1ccc(cc1)OC[*:1] O=C(C[*:1])NNS(=O)(=O)c1cc(Cl)ccc1Cl
O=C(CCOc1ccccc1)NNS(=O)(=O)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(CCOc1ccccc1)NNS(=O)(=O)[*:1]
C/C(=C/C(=O)NCCCc1c(C)noc1C)c1cccc(Cl)c1 Cc1noc(C)c1[*:1] C/C(=C/C(=O)NCCC[*:1])c1cccc(Cl)c1
C/C(=C/C(=O)NCCCc1c(C)noc1C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(=CC(=O)NCCCc1c(C)noc1C)[*:1]
O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)C[C@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] O=C(Cc1cccc(c1)[*:1])NNC(=O)C[C@H]1CCS(=O)(=O)C1
CC[C@H](C)NC(=O)c1ccccc1NC(=O)OCCO CC[C@H](C)[*:1] O=C(Nc1ccccc1C(=O)N[*:1])OCCO
CC[C@H](C)NC(=O)c1ccccc1NC(=O)OCCO OCC[*:1] CC[C@H](C)NC(=O)c1ccccc1NC(=O)O[*:1]
COc1cc(C)ccc1O[C@@H](C)C(=O)Nc1cc(N2CCC(C)CC2)ncn1 CC1CCN(CC1)[*:1] COc1cc(C)ccc1O[C@@H](C)C(=O)Nc1cc(ncn1)[*:1]
COc1cc(C)ccc1O[C@@H](C)C(=O)Nc1cc(N2CCC(C)CC2)ncn1 COc1cc(C)ccc1[*:1] CC1CCN(CC1)c1cc(ncn1)NC(=O)[C@H](C)O[*:1]
O=C(NC[C@]1(O)CCC[NH2+]CC1)c1ccccc1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NC[C@]1(O)CCC[NH2+]CC1)c1ccccc1C[*:1]
O=C(NC[C@]1(O)CCC[NH2+]CC1)c1ccccc1Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(NC[C@]1(O)CCC[NH2+]CC1)c1ccccc1[*:1]
O=C([O-])[C@H]1[NH2+][C@@H]2CC[C@H]1CC2(F)F O=C([O-])[*:1] FC1(F)C[C@@H]2CC[C@H]1[NH2+][C@@H]2[*:1]
C[C@H]1OCC[C@H]1C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H]1OCC[C@H]1C(=O)NC[C@H](O)COc1cccc(c1)[*:1]
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccco1 c1coc(c1)[*:1] O=C1C(O)=C(C(=O)[*:1])[C@@H](c2ccc(O)cc2)N1CCc1ccccc1
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccco1 O=C(c1ccco1)[*:1] O=C1C(O)=C([C@@H](c2ccc(O)cc2)N1CCc1ccccc1)[*:1]
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccco1 Oc1ccc(cc1)[*:1] O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1[*:1])c1ccco1
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccco1 c1ccc(cc1)[*:1] O=C(C1=C(O)C(=O)N(CC[*:1])[C@@H]1c1ccc(O)cc1)c1ccco1
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccco1 c1ccc(cc1)CC[*:1] O=C(C1=C(O)C(=O)N([C@@H]1c1ccc(O)cc1)[*:1])c1ccco1
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(O)cc1)c1ccco1 c1ccc(cc1)C[*:1] O=C(C1=C(O)C(=O)N(C[*:1])[C@@H]1c1ccc(O)cc1)c1ccco1
CCN(Cc1cccc(C)c1)C(=O)c1cc(C(C)(C)C)nn1C CC(C)(C)[*:1] CCN(Cc1cccc(C)c1)C(=O)c1cc(nn1C)[*:1]
CCN(Cc1cccc(C)c1)C(=O)c1cc(C(C)(C)C)nn1C Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)c1cc(nn1C)C(C)(C)C
O=C(NCCc1ccc[nH]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 c1c[nH]c(c1)[*:1] O=C(NCC[*:1])[C@H]1CCC[C@H](C1)C(F)(F)F
O=C(NCCc1ccc[nH]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCCc1ccc[nH]1)[C@H]1CCC[C@@H](C1)[*:1]
O=C(NCCc1ccc[nH]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 c1c[nH]c(c1)C[*:1] O=C(NC[*:1])[C@H]1CCC[C@H](C1)C(F)(F)F
O=C1NC(=O)c2ccccc2/C1=C/NCc1cc(Br)cs1 Brc1csc(c1)[*:1] O=C1NC(=O)c2ccccc2/C1=C/NC[*:1]
O=C1NC(=O)c2ccccc2/C1=C/NCc1cc(Br)cs1 Brc1csc(c1)C[*:1] O=C1NC(=O)c2ccccc2/C1=C/N[*:1]
CCC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)c2cccs2)cc1 O=C(N[*:1])c1cccs1 CCC(=O)Nc1ccc(cc1)NC(=O)[C@H](C)[*:1]
CCC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)[C@H](C)NC(=O)[*:1]
CCC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)c2cccs2)cc1 CCC(=O)N[*:1] C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)[*:1]
Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cccc1C(=O)N1CCOCC1 O=C([O-])[*:1] Cc1c(cccc1C(=O)N1CCOCC1)NC(=O)[C@@H]1CC=CC[C@H]1[*:1]
Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cccc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1c(cccc1[*:1])NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]
Cn1c2c(c(=O)[nH]c1=O)CN(C1CC1)CN2 C1CC1[*:1] Cn1c2NCN(Cc2c(=O)[nH]c1=O)[*:1]
C#CCn1/c(=N/C(=O)CSCC(=O)N2C[C@@H](C)C[C@@H](C)C2)sc2ccccc21 C#CC[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CSCC(=O)/N=c1\sc2ccccc2n1[*:1]
COc1ccc(NC(=S)NCCc2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)NC(=S)NCC[*:1]
Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccccc1F)CC(=O)N2 c1ccc(cc1)[*:1] Cc1ccc2NC(=O)CN(C(=O)c3ccccc3F)[C@@H](c2c1)[*:1]
Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccccc1F)CC(=O)N2 Fc1ccccc1[*:1] Cc1ccc2NC(=O)CN(C(=O)[*:1])[C@@H](c3ccccc3)c2c1
O=C(Cc1c(F)cccc1F)NCC1CC1 C1CC1C[*:1] O=C(Cc1c(F)cccc1F)N[*:1]
O=C(Cc1c(F)cccc1F)NCC1CC1 C1CC1[*:1] O=C(Cc1c(F)cccc1F)NC[*:1]
Cc1c(F)cc(C(N)=O)cc1NC(=O)c1ncccc1C(F)(F)F NC(=O)[*:1] Cc1c(F)cc(cc1NC(=O)c1ncccc1C(F)(F)F)[*:1]
Cc1c(F)cc(C(N)=O)cc1NC(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] Cc1c(F)cc(cc1NC(=O)c1ncccc1[*:1])C(N)=O
CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)[*:1]
CCc1c(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)[nH]c(C)c1C(C)=O Cc1cc(C)n(n1)[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1ccc(nc1)[*:1]
CCc1c(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)Nc1ccc(nc1)-n1nc(C)cc1C
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@H](c3cccs3)C2)CC1 c1csc(c1)[*:1] CC(C)[C@H](C#N)N1CCN(CC1)C(=O)CN1CCO[C@H](C1)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@H](c3cccs3)C2)CC1 CC(C)[C@H](C#N)[*:1] O=C(CN1CCO[C@@H](C1)c1cccs1)N1CCN(CC1)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@H](c3cccs3)C2)CC1 CC(C)[*:1] N#C[C@H](N1CCN(CC1)C(=O)CN1CCO[C@@H](C1)c1cccs1)[*:1]
C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] C[C@H](c1nc(N)nc(n1)N(C)C)N1CCN(CC1)[*:1]
C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccccc2F)CC1 CN(C)[*:1] C[C@H](c1nc(N)nc(n1)[*:1])N1CCN(CC1)c1ccccc1F
C[C@@H](C(N)=O)N1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 NC(=O)[*:1] C[C@@H](N1CCN(CC1)[C@H](C)C(=O)NCCc1ccccc1)[*:1]
C[C@@H](C(N)=O)N1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] C[C@@H](C(N)=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
C[C@@H](C(N)=O)N1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](C(N)=O)N1CCN(CC1)[C@H](C)C(=O)NC[*:1]
C[C@@H](C(N)=O)N1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 C[C@@H](C(N)=O)[*:1] C[C@H](C(=O)NCCc1ccccc1)N1CCN(CC1)[*:1]
C[C@@H](C(N)=O)N1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(N)=O)N1CCN(CC1)[C@H](C)C(=O)NCC[*:1]
CN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)c1c[nH]c2ccccc12 c1cc2OCOc2cc1[*:1] CN(CC(=O)N1CCN(CC1)C[*:1])C(=O)c1c[nH]c2ccccc12
CN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] CN(CC(=O)N1CCN(CC1)Cc1ccc2OCOc2c1)C(=O)[*:1]
CN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)c1c[nH]c2ccccc12 c1cc2OCOc2cc1C[*:1] CN(CC(=O)N1CCN(CC1)[*:1])C(=O)c1c[nH]c2ccccc12
CC[C@H](O)C1CCN(C(=O)C[C@]2(c3ccccc3OC)CC(=O)N(C3CCCC3)C2=O)CC1 CC[C@H](O)[*:1] COc1ccccc1[C@@]1(CC(=O)N2CCC(CC2)[*:1])CC(=O)N(C1=O)C1CCCC1
CC[C@H](O)C1CCN(C(=O)C[C@]2(c3ccccc3OC)CC(=O)N(C3CCCC3)C2=O)CC1 COc1ccccc1[*:1] CC[C@H](O)C1CCN(CC1)C(=O)C[C@@]1(CC(=O)N(C1=O)C1CCCC1)[*:1]
CC[C@H](O)C1CCN(C(=O)C[C@]2(c3ccccc3OC)CC(=O)N(C3CCCC3)C2=O)CC1 C1CCC(C1)[*:1] CC[C@H](O)C1CCN(CC1)C(=O)C[C@@]1(CC(=O)N(C1=O)[*:1])c1ccccc1OC
COCCn1ccc2ccc(NC(=O)[C@@H]3COc4ccccc43)cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)[C@@H]1COc2ccccc21
COCCn1ccc2ccc(NC(=O)[C@@H]3COc4ccccc43)cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])[C@@H]1COc2ccccc21
Cc1cc(C)cc(NC(=O)C(=O)NCc2cccc(NC(=O)C[NH+](C)C)c2)c1 Cc1cc(C)cc(c1)[*:1] C[NH+](C)CC(=O)Nc1cccc(c1)CNC(=O)C(=O)N[*:1]
Cc1cc(C(=O)NCC(=O)N[C@@H](C)c2ncc(C)s2)c(C)o1 Cc1cnc(s1)[*:1] Cc1cc(C(=O)NCC(=O)N[C@@H](C)[*:1])c(C)o1
Cc1cc(C(=O)NCC(=O)N[C@@H](C)c2ncc(C)s2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)CNC(=O)[*:1]
CCOC(=O)[C@@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 c1coc(c1)[*:1] CCOC(=O)[C@@]1(Cc2ccc(O)cc2)[NH2+][C@@H]([C@H]2C(=O)N(C(=O)[C@H]21)c1ccccc1F)[*:1]
CCOC(=O)[C@@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 Oc1ccc(cc1)[*:1] CCOC(=O)[C@@]1(C[*:1])[NH2+][C@@H](c2ccco2)[C@H]2C(=O)N(C(=O)[C@H]21)c1ccccc1F
CCOC(=O)[C@@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 Fc1ccccc1[*:1] CCOC(=O)[C@@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2ccco2)[C@H]2C(=O)N(C(=O)[C@H]21)[*:1]
CCOC(=O)[C@@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 Oc1ccc(cc1)C[*:1] CCOC(=O)[C@]1([NH2+][C@@H](c2ccco2)[C@H]2C(=O)N(C(=O)[C@H]21)c1ccccc1F)[*:1]
CCOC(=O)[C@@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 CCOC(=O)[*:1] O=C1[C@@H]2[C@@H]([NH2+][C@](Cc3ccc(O)cc3)([C@@H]2C(=O)N1c1ccccc1F)[*:1])c1ccco1
COC(=O)c1cccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 COC(=O)[*:1] C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(c1)[*:1]
Cc1nc(CNC(=O)c2nnc3ccc(Cl)cc3n2)cs1 Cc1nc(cs1)C[*:1] O=C(N[*:1])c1nnc2ccc(Cl)cc2n1
Cc1nc(CNC(=O)c2nnc3ccc(Cl)cc3n2)cs1 Cc1nc(cs1)[*:1] O=C(NC[*:1])c1nnc2ccc(Cl)cc2n1
CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(COC)o1 COCc1ccc(o1)[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(COC)o1 COC[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(o1)[*:1]
CC[C@@H](C)[C@@H](O)CNC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 CC[C@@H](C)[C@@H](O)C[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)N[*:1]
CC[C@@H](C)[C@@H](O)CNC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 CC[C@@H](C)[*:1] O=C(NC[C@H](O)[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
CC[C@@H](C)[C@@H](O)CNC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 CC[C@@H](C)[C@@H](O)[*:1] O=C(NC[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
Cc1ccc(OC(=O)Cc2coc3ccc(C)cc23)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2occ(CC(=O)O[*:1])c2c1
COc1ccc([C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] FC(F)(F)c1ccc(cc1)C[NH2+][C@@H](C1CCOCC1)[*:1]
COc1ccc([C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C2CCOCC2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])C1CCOCC1
COc1ccc([C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H]([NH2+]Cc1ccc(cc1)C(F)(F)F)[*:1]
CCC[C@@H](C(=O)Cl)N1C(=O)c2ccccc2C1=O CCC[*:1] O=C(Cl)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CCC[C@@H](C(=O)Cl)N1C(=O)c2ccccc2C1=O O=C(Cl)[*:1] CCC[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(n1)O[*:1]
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(OCC(F)F)n1 Cc1nn(C)c(C)c1[*:1] C[C@@H](C[*:1])NC(=O)c1cccc(n1)OCC(F)F
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(OCC(F)F)n1 FC(F)[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(n1)OC[*:1]
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(n1)[*:1]
Cc1ccc(NCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])NCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1
Cc1ccc(NCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1S(=O)(=O)N1CCOCC1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)NCc1nc2scc(c2c(=O)[nH]1)[*:1]
CC(C)COc1ccc(C(=O)NC#N)cc1 CC(C)CO[*:1] N#CNC(=O)c1ccc(cc1)[*:1]
CC(C)COc1ccc(C(=O)NC#N)cc1 N#CNC(=O)[*:1] CC(C)COc1ccc(cc1)[*:1]
CC(C)COc1ccc(C(=O)NC#N)cc1 CC(C)C[*:1] N#CNC(=O)c1ccc(cc1)O[*:1]
CC(C)COc1ccc(C(=O)NC#N)cc1 CC(C)[*:1] N#CNC(=O)c1ccc(cc1)OC[*:1]
O=C1NC(=O)[C@@](CSc2ccccc2)(c2ccccc2)N1 c1ccc(cc1)[*:1] O=C1NC(=O)[C@](CS[*:1])(N1)c1ccccc1
O=C1NC(=O)[C@@](CSc2ccccc2)(c2ccccc2)N1 c1ccc(cc1)S[*:1] O=C1NC(=O)[C@](C[*:1])(N1)c1ccccc1
O=C1NC(=O)[C@@](CSc2ccccc2)(c2ccccc2)N1 c1ccc(cc1)[*:1] O=C1NC(=O)[C@@](CSc2ccccc2)(N1)[*:1]
Cc1ccc(CCC2CCN(C(=O)CCC(F)(F)F)CC2)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)CCC1CCN(CC1)C(=O)C[*:1]
Cc1ccc(CCC2CCN(C(=O)CCC(F)(F)F)CC2)cc1 FC(F)(F)CC[*:1] Cc1ccc(cc1)CCC1CCN(CC1)C(=O)[*:1]
Cc1ccc(CCC2CCN(C(=O)CCC(F)(F)F)CC2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)CCC1CCN(CC1)C(=O)CC[*:1]
Cc1ccc(CCC2CCN(C(=O)CCC(F)(F)F)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CCC(F)(F)F)N1CCC(CC1)CC[*:1]
NNC(=O)c1ccc(CN2C(=O)CCC2=O)nc1 NNC(=O)[*:1] O=C1CCC(=O)N1Cc1ccc(cn1)[*:1]
COCc1cccc(C(=O)/N=c2\[nH]nc3cc(C)ccn23)c1 COC[*:1] Cc1ccn2/c(=N/C(=O)c3cccc(c3)[*:1])[nH]nc2c1
O=Cc1cn(CC(=O)c2ccc(Cl)cc2)c2ccccc12 Clc1ccc(cc1)[*:1] O=Cc1cn(CC(=O)[*:1])c2ccccc12
C#CCN1CCC(C(=O)N[C@H](CC)c2ccc(C)c(F)c2)CC1 C#CC[*:1] CC[C@@H](NC(=O)C1CCN(CC1)[*:1])c1ccc(C)c(F)c1
C[NH+](C)CCNC(=O)CN1CCN(c2cccc(Cl)c2)C1=O Clc1cccc(c1)[*:1] C[NH+](C)CCNC(=O)CN1CCN(C1=O)[*:1]
O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1Nc2cc(Cl)cc(Cl)c2[C@@]1(O)CC(=O)[*:1]
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(c1ccc(cc1Cl)[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1Cl)[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(F)c1
C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(nc2ccccc12)[*:1])c1ccccc1
C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(nc2ccccc12)-c1ccncc1)[*:1]
C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](OC(=O)c1cc(nc2ccccc12)-c1ccncc1)C(=O)N[*:1]
COc1ccc(OC(C)C)c(NC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1 CC(C)O[*:1] COc1ccc(c(c1)NC(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C)[*:1]
COc1ccc(OC(C)C)c(NC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1 CC(C)[*:1] COc1ccc(O[*:1])c(c1)NC(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C
CC(C)Oc1cccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)c1 CC(C)[*:1] O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccc(c1)O[*:1]
CC(C)Oc1cccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)c1 CC(C)O[*:1] O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccc(c1)[*:1]
CC(C)Oc1cccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC(C)Oc1cccc(c1)CNS(=O)(=O)C[*:1]
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C)c1nncn1C Cn1cnnc1[*:1] CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C)[*:1]
CCO[C@H](CC)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CCO[C@H](CC)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)[*:1]
CCO[C@H](CC)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CCO[*:1] CC[C@H](C(=O)Nc1ccc(C)c(c1)C(=O)N(C)C)[*:1]
CCO[C@H](CC)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCO[C@H](CC)C(=O)Nc1ccc(C)c(c1)[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)Cc2cccc(OC)c2)C1 COC(=O)[*:1] COc1cccc(c1)CC(=O)N1CC[C@](F)(C1)[*:1]
Cc1nn(CC(C)C)c(Cl)c1C[NH+]1CCCN(C(N)=O)CC1 CC(C)C[*:1] Cc1nn(c(Cl)c1C[NH+]1CCCN(CC1)C(N)=O)[*:1]
Cc1nn(CC(C)C)c(Cl)c1C[NH+]1CCCN(C(N)=O)CC1 CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1C[NH+]1CCCN(CC1)C(N)=O
CC[C@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(F)cc1)S(C)(=O)=O Brc1cccc(c1)[*:1] CC[C@H](C(=O)N[*:1])N(c1ccc(F)cc1)S(C)(=O)=O
CC[C@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(F)cc1)S(C)(=O)=O Fc1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1cccc(Br)c1)N(S(C)(=O)=O)[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@@H](C)C[C@H](O)c3ccc(F)cc3)cc12 Fc1ccc(cc1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@@H](C)C[C@H](O)[*:1]
CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O O=C([O-])[*:1] CCOC(=O)CS[C@H]1CC(=O)N(C1=O)c1ccc(c(O)c1)[*:1]
CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O CCOC(=O)CS[*:1] O=C([O-])c1ccc(cc1O)N1C(=O)C[C@@H](C1=O)[*:1]
CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O CCOC(=O)[*:1] O=C([O-])c1ccc(cc1O)N1C(=O)C[C@H](SC[*:1])C1=O
CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O CCOC(=O)C[*:1] O=C([O-])c1ccc(cc1O)N1C(=O)C[C@H](S[*:1])C1=O
Cc1cc(C[NH+]2CCCN(C3CCOCC3)CC2)cc(C)c1OC(F)F FC(F)O[*:1] Cc1cc(cc(C)c1[*:1])C[NH+]1CCCN(CC1)C1CCOCC1
Cc1cc(C[NH+]2CCCN(C3CCOCC3)CC2)cc(C)c1OC(F)F C1CC(CCO1)[*:1] Cc1cc(cc(C)c1OC(F)F)C[NH+]1CCCN(CC1)[*:1]
Cc1cc(C[NH+]2CCCN(C3CCOCC3)CC2)cc(C)c1OC(F)F FC(F)[*:1] Cc1cc(cc(C)c1O[*:1])C[NH+]1CCCN(CC1)C1CCOCC1
CN(C)c1ncc(CN2CCN(Cc3ccon3)CC2)s1 c1cc(no1)[*:1] CN(C)c1ncc(CN2CCN(CC2)C[*:1])s1
CN(C)c1ncc(CN2CCN(Cc3ccon3)CC2)s1 CN(C)[*:1] c1cc(CN2CCN(CC2)Cc2cnc(s2)[*:1])no1
CN(C)c1ncc(CN2CCN(Cc3ccon3)CC2)s1 c1cc(C[*:1])no1 CN(C)c1ncc(CN2CCN(CC2)[*:1])s1
Cc1cc(C)cc(CCNC(=O)COCC2CC2)c1 C1CC1CO[*:1] Cc1cc(C)cc(c1)CCNC(=O)C[*:1]
Cc1cc(C)cc(CCNC(=O)COCC2CC2)c1 C1CC1C[*:1] Cc1cc(C)cc(c1)CCNC(=O)CO[*:1]
Cc1cc(C)cc(CCNC(=O)COCC2CC2)c1 C1CC1[*:1] Cc1cc(C)cc(c1)CCNC(=O)COC[*:1]
Cc1cc(C)cc(CCNC(=O)COCC2CC2)c1 C1CC1COC[*:1] Cc1cc(C)cc(c1)CCNC(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)(O)[C@@H]1CCCN1c1nccc(OCc2ccccc2)n1 CC(C)(O)[*:1] c1ccc(cc1)COc1ccnc(n1)N1CCC[C@H]1[*:1]
CC(C)(O)[C@@H]1CCCN1c1nccc(OCc2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)(O)[C@@H]1CCCN1c1nccc(n1)OC[*:1]
CC(C)(O)[C@@H]1CCCN1c1nccc(OCc2ccccc2)n1 c1ccc(cc1)C[*:1] CC(C)(O)[C@@H]1CCCN1c1nccc(n1)O[*:1]
C[NH+](C)CC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)nc1[O-] FC(F)(F)[*:1] C[NH+](C)CC[C@H]1CCCCN1C(=O)c1ccc(nc1[O-])[*:1]
N[C@H](Cc1ccccc1)C(=O)N1CCn2nc(CCC(=O)NC3CC3)cc2C1 O=C(C[*:1])NC1CC1 N[C@H](Cc1ccccc1)C(=O)N1CCn2nc(cc2C1)C[*:1]
N[C@H](Cc1ccccc1)C(=O)N1CCn2nc(CCC(=O)NC3CC3)cc2C1 C1CC1[*:1] N[C@H](Cc1ccccc1)C(=O)N1CCn2nc(cc2C1)CCC(=O)N[*:1]
N[C@H](Cc1ccccc1)C(=O)N1CCn2nc(CCC(=O)NC3CC3)cc2C1 c1ccc(cc1)C[*:1] N[C@H](C(=O)N1CCn2nc(cc2C1)CCC(=O)NC1CC1)[*:1]
N[C@H](Cc1ccccc1)C(=O)N1CCn2nc(CCC(=O)NC3CC3)cc2C1 O=C(NC1CC1)[*:1] N[C@H](Cc1ccccc1)C(=O)N1CCn2nc(cc2C1)CC[*:1]
N[C@H](Cc1ccccc1)C(=O)N1CCn2nc(CCC(=O)NC3CC3)cc2C1 O=C(CC[*:1])NC1CC1 N[C@H](Cc1ccccc1)C(=O)N1CCn2nc(cc2C1)[*:1]
N[C@H](Cc1ccccc1)C(=O)N1CCn2nc(CCC(=O)NC3CC3)cc2C1 N[C@H](Cc1ccccc1)[*:1] O=C(CCc1cc2CN(CCn2n1)C(=O)[*:1])NC1CC1
N[C@H](Cc1ccccc1)C(=O)N1CCn2nc(CCC(=O)NC3CC3)cc2C1 c1ccc(cc1)[*:1] N[C@H](C[*:1])C(=O)N1CCn2nc(cc2C1)CCC(=O)NC1CC1
O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(Sc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C1c2cccc3cccc(C(=O)N1CCN1CCN(CC1)S[*:1])c23
O=S1(=O)C[C@H](NC[C@H]2CCCO2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=S1(=O)C[C@H](NC[C@H]2CCCO2)[C@H](C1)S(=O)(=O)[*:1]
O=S1(=O)C[C@H](NC[C@H]2CCCO2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 C1CO[C@H](C1)C[*:1] O=S1(=O)C[C@H](N[*:1])[C@H](C1)S(=O)(=O)c1ccc(F)cc1
O=S1(=O)C[C@H](NC[C@H]2CCCO2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 C1CO[C@H](C1)[*:1] O=S1(=O)C[C@H](NC[*:1])[C@H](C1)S(=O)(=O)c1ccc(F)cc1
O=S1(=O)C[C@H](NC[C@H]2CCCO2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 C1CO[C@H](C1)CN[*:1] O=S1(=O)C[C@H]([C@H](C1)S(=O)(=O)c1ccc(F)cc1)[*:1]
C[C@@H]1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1cc(ccc1O)[*:1]
Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 c1cc2OCOc2cc1[*:1] Cc1c(oc2CCC/C(=N\NC(=O)Cc3ccccc3)c21)C(=O)N[*:1]
Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 c1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)C[*:1])c21)C(=O)Nc1ccc2OCOc2c1
Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 c1ccc(cc1)C[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)Nc1ccc2OCOc2c1
Cc1ccc(C(=O)N2CCC(CC(=O)NCCc3ccco3)CC2)cc1 c1coc(c1)CC[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)CC(=O)N[*:1]
Cc1ccc(C(=O)N2CCC(CC(=O)NCCc3ccco3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CC1CCN(CC1)C(=O)[*:1])NCCc1ccco1
Cc1ccc(C(=O)N2CCC(CC(=O)NCCc3ccco3)CC2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)CC(=O)NC[*:1]
Cc1ccc(C(=O)N2CCC(CC(=O)NCCc3ccco3)CC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)CC(=O)NCC[*:1]
Cc1cc(C(=O)N2CCN(Cn3cnc4cc(C)c(C)cc43)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1cc2ncn(CN3CCN(CC3)C(=O)[*:1])c2cc1C
CCOC[C@H]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2F)C1 CCOC[*:1] O=C(N[C@@H]1C[C@@H]1c1ccccc1F)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2F)C1 CCO[*:1] O=C(N[C@@H]1C[C@@H]1c1ccccc1F)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2F)C1 Fc1ccccc1[*:1] CCOC[C@H]1CCCN(C1)C(=O)N[C@@H]1C[C@H]1[*:1]
Cn1nc(C(=O)Nc2ccc(F)cc2F)c2c1-c1ccccc1OC2 Fc1ccc(c(F)c1)[*:1] Cn1nc(C(=O)N[*:1])c2COc3ccccc3-c21
Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c(C)c1 c1csc(c1)[*:1] Cc1ccc(c(C)c1)[C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)[*:1]
C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cccc(-c2ccncc2)c1 c1cc(ccn1)[*:1] C[C@H]([NH2+][C@@H]1CCN(C1)c1ccccn1)c1cccc(c1)[*:1]
C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cccc(-c2ccncc2)c1 c1ccc(nc1)[*:1] C[C@H]([NH2+][C@@H]1CCN(C1)[*:1])c1cccc(c1)-c1ccncc1
C[S@](=O)CCNC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F c1ccc(cc1)[*:1] C[S@](=O)CCNC(=O)N[C@@H](C[*:1])c1ccccc1F
C[S@](=O)CCNC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F Fc1ccccc1[*:1] C[S@](=O)CCNC(=O)N[C@@H](Cc1ccccc1)[*:1]
C[S@](=O)CCNC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F c1ccc(cc1)C[*:1] C[S@](=O)CCNC(=O)N[C@@H](c1ccccc1F)[*:1]
CC[C@@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NC2CCCCC2)c1=O CC[C@@H](C)NC(=O)[*:1] O=C(NC1CCCCC1)c1cn(cc(c1=O)[*:1])C1CCCC1
CC[C@@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NC2CCCCC2)c1=O C1CCC(C1)[*:1] CC[C@@H](C)NC(=O)c1cn(cc(C(=O)NC2CCCCC2)c1=O)[*:1]
CC[C@@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NC2CCCCC2)c1=O O=C(NC1CCCCC1)[*:1] CC[C@@H](C)NC(=O)c1cn(cc(c1=O)[*:1])C1CCCC1
CC[C@@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NC2CCCCC2)c1=O C1CCC(CC1)[*:1] CC[C@@H](C)NC(=O)c1cn(cc(C(=O)N[*:1])c1=O)C1CCCC1
CC[C@@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NC2CCCCC2)c1=O CC[C@@H](C)[*:1] O=C(NC1CCCCC1)c1cn(cc(C(=O)N[*:1])c1=O)C1CCCC1
O=C1C[NH+](Cc2cn(C3CCN(c4ncnc5sccc45)CC3)nn2)CCN1 c1nc(c2ccsc2n1)[*:1] O=C1C[NH+](CCN1)Cc1cn(nn1)C1CCN(CC1)[*:1]
Cc1ccccc1C(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1 Cc1ccccc1[*:1] O=C(Cc1nc(cs1)-c1ccccc1)NNC(=O)[*:1]
Cc1ccccc1C(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)NNC(=O)Cc1nc(cs1)[*:1]
CCN1C(=O)/C(=C/c2cccc(O)c2)S/C1=N\c1ccccn1 c1ccc(nc1)[*:1] CCN1C(=O)/C(=C/c2cccc(O)c2)SC1=N[*:1]
CCN1C(=O)/C(=C/c2cccc(O)c2)S/C1=N\c1ccccn1 Oc1cccc(c1)[*:1] CCN1C(=O)C(=C[*:1])S/C1=N\c1ccccn1
CCCC1(c2nc([C@@H]3CN(C)CCO3)no2)CC[NH2+]CC1 CCC[*:1] CN1CCO[C@@H](C1)c1noc(n1)C1(CC[NH2+]CC1)[*:1]
CCCC1(c2nc([C@@H]3CN(C)CCO3)no2)CC[NH2+]CC1 CN1CCO[C@@H](C1)[*:1] CCCC1(CC[NH2+]CC1)c1nc(no1)[*:1]
CCc1nc2sc([C@H](c3cccs3)N3CCC4(CC3)OCCO4)c([O-])n2n1 c1csc(c1)[*:1] CCc1nc2sc(c([O-])n2n1)[C@H](N1CCC2(CC1)OCCO2)[*:1]
CC(=O)[C@@H]1CC(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)=NN1c1ccccc1 c1ccc(cc1)[*:1] CC(=O)[C@@H]1CC(=NN1[*:1])C(=O)Nc1ccc(C(N)=O)c(Cl)c1
CC(=O)[C@@H]1CC(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)=NN1c1ccccc1 NC(=O)[*:1] CC(=O)[C@@H]1CC(=NN1c1ccccc1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(=O)[C@@H]1CC(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)=NN1c1ccccc1 CC(=O)[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)C1C[C@H](N(N=1)c1ccccc1)[*:1]
CCCc1c(C(=O)[O-])nnn1[C@@H](C)[C@H](C)O CCC[*:1] C[C@H](O)[C@H](C)n1nnc(C(=O)[O-])c1[*:1]
CCCc1c(C(=O)[O-])nnn1[C@@H](C)[C@H](C)O C[C@H](O)[C@H](C)[*:1] CCCc1c(nnn1[*:1])C(=O)[O-]
CCCc1c(C(=O)[O-])nnn1[C@@H](C)[C@H](C)O C[C@H](O)[*:1] CCCc1c(nnn1[C@@H](C)[*:1])C(=O)[O-]
CCCc1c(C(=O)[O-])nnn1[C@@H](C)[C@H](C)O O=C([O-])[*:1] CCCc1c(nnn1[C@@H](C)[C@H](C)O)[*:1]
CCOc1ccc(OCC(=O)Nn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 CCOc1ccc(cc1)O[*:1] O=C(C[*:1])Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
CCOc1ccc(OCC(=O)Nn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)OCC(=O)Nn1cnc2c(cnn2[*:1])c1=O
CCOc1ccc(OCC(=O)Nn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 CCO[*:1] O=C(COc1ccc(cc1)[*:1])Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
CCOc1ccc(OCC(=O)Nn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(CO[*:1])Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
CCc1nn(C)c(CC)c1CN1CCO[C@@H](c2ccccc2Cl)C1 Clc1ccccc1[*:1] CCc1nn(C)c(CC)c1CN1CCO[C@@H](C1)[*:1]
CCCn1nc(C)c(C[NH+]2CCC(NC(N)=O)CC2)c1C CCC[*:1] Cc1nn(c(C)c1C[NH+]1CCC(CC1)NC(N)=O)[*:1]
CCCn1nc(C)c(C[NH+]2CCC(NC(N)=O)CC2)c1C NC(=O)N[*:1] CCCn1nc(C)c(C[NH+]2CCC(CC2)[*:1])c1C
NC(=S)[C@@H]1CN(CCC[NH+]2CCCC2)CCO1 NC(=S)[*:1] C1CC[NH+](C1)CCCN1CCO[C@@H](C1)[*:1]
CC1(C)O[C@@H](COC(=O)c2ccccc2)[C@H](C(=O)c2ccoc2)O1 c1cc(co1)[*:1] CC1(C)O[C@@H](COC(=O)c2ccccc2)[C@@H](O1)C(=O)[*:1]
CC1(C)O[C@@H](COC(=O)c2ccccc2)[C@H](C(=O)c2ccoc2)O1 c1ccc(cc1)[*:1] CC1(C)O[C@@H](COC(=O)[*:1])[C@@H](O1)C(=O)c1ccoc1
CC1(C)O[C@@H](COC(=O)c2ccccc2)[C@H](C(=O)c2ccoc2)O1 O=C(c1ccoc1)[*:1] CC1(C)O[C@@H](COC(=O)c2ccccc2)[C@H](O1)[*:1]
COc1cccc(-c2n[nH]c(C)c2NC(=O)Nc2ccc(F)cc2)c1 COc1cccc(c1)[*:1] Cc1[nH]nc(c1NC(=O)Nc1ccc(F)cc1)[*:1]
COc1cccc(-c2n[nH]c(C)c2NC(=O)Nc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)-c1n[nH]c(C)c1NC(=O)N[*:1]
CS(=O)(=O)NCCNC(=O)Cc1ccccc1Cl CS(=O)(=O)N[*:1] O=C(Cc1ccccc1Cl)NCC[*:1]
CS(=O)(=O)NCCNC(=O)Cc1ccccc1Cl CS(=O)(=O)NC[*:1] O=C(Cc1ccccc1Cl)NC[*:1]
CCOc1cccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1 FC(F)(F)CO[*:1] CCOc1cccc(c1)C(=O)Nc1ccc(F)cc1[*:1]
CCOc1cccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1 FC(F)(F)[*:1] CCOc1cccc(c1)C(=O)Nc1ccc(F)cc1OC[*:1]
CCOc1cccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1 CCO[*:1] O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cccc(c1)[*:1]
CCOc1cccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1 FC(F)(F)C[*:1] CCOc1cccc(c1)C(=O)Nc1ccc(F)cc1O[*:1]
NC(=[NH2+])C1CCN(C(=O)N[C@@H]2CCOC2)CC1 NC(=[NH2+])[*:1] O=C(N[C@@H]1CCOC1)N1CCC(CC1)[*:1]
NC(=[NH2+])C1CCN(C(=O)N[C@@H]2CCOC2)CC1 C1C[C@H](CO1)[*:1] NC(=[NH2+])C1CCN(CC1)C(=O)N[*:1]
COc1ccnc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1 CC(C)(C)C(=O)N[*:1] COc1ccnc(c1)NC(=O)c1cccc(c1)[*:1]
COc1ccnc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1 COc1ccnc(c1)[*:1] CC(C)(C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
COc1ccnc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1 CC(C)(C)[*:1] COc1ccnc(c1)NC(=O)c1cccc(c1)NC(=O)[*:1]
CCc1nn(C)cc1CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] CCc1nn(C)cc1CNC(=O)c1cc(ccc1Cl)[*:1]
Cc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)cc1 O=C([O-])[*:1] Cc1ccc(cc1)[C@H](C)NC(=O)[C@@H]1[C@@H]([C@H]2CC[C@@H]1C2)[*:1]
Cc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2)[*:1]
COC(=O)C[C@H](NC(=O)[C@H]1CC=CCC1)c1cccc(Cl)c1 COC(=O)[*:1] O=C(N[C@@H](C[*:1])c1cccc(Cl)c1)[C@H]1CC=CCC1
COC(=O)C[C@H](NC(=O)[C@H]1CC=CCC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)C[C@H](NC(=O)[C@H]1CC=CCC1)[*:1]
COC(=O)C[C@H](NC(=O)[C@H]1CC=CCC1)c1cccc(Cl)c1 COC(=O)C[*:1] O=C(N[C@H](c1cccc(Cl)c1)[*:1])[C@H]1CC=CCC1
O=S(=O)(Cc1cccc(Cl)c1)NCC(O)(c1cccs1)c1cccs1 Clc1cccc(c1)[*:1] O=S(=O)(C[*:1])NCC(O)(c1cccs1)c1cccs1
O=S(=O)(Cc1cccc(Cl)c1)NCC(O)(c1cccs1)c1cccs1 Clc1cccc(c1)C[*:1] O=S(=O)(NCC(O)(c1cccs1)c1cccs1)[*:1]
O=S(=O)(Cc1cccc(Cl)c1)NCC(O)(c1cccs1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(Cc1cccc(Cl)c1)NCC(O)(c1cccs1)[*:1]
CCc1nn(CCOC2CCCCCC2)c(=O)c(C#N)c1CC C1CCCC(CC1)[*:1] CCc1nn(CCO[*:1])c(=O)c(C#N)c1CC
Cc1ccc([C@@H](Cc2cccs2)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)[C@@H](Cc1cccs1)[*:1]
Cc1ccc([C@@H](Cc2cccs2)C(=O)[O-])cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@@H](C[*:1])C(=O)[O-]
COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1)[*:1]
COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N(Cc1cc2ccccc2[nH]c1=O)[*:1]
CC[NH2+][C@H](c1ccc(F)c(F)c1F)[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] CC[NH2+][C@H](c1ccc(F)c(F)c1F)[C@H](C)[*:1]
COc1ccc(-c2cc(COC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)on2)cc1 COc1ccc(cc1)[*:1] C[C@@H](C(=O)OCc1cc(no1)[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
C[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1nc(C2CCCC2)no1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)c1cnc(s1)[*:1])c1nc(no1)C1CCCC1
C[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] C[C@@H](NC(=O)c1cnc(s1)[C@@H]1CCCO1)c1nc(no1)[*:1]
CN(Cc1cnccn1)C(=O)c1c(Cl)cccc1Cl c1cnc(cn1)[*:1] CN(C[*:1])C(=O)c1c(Cl)cccc1Cl
C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1cccc(Cl)c1)C(=O)NC[*:1]
C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)NCc1ccco1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)[*:1])C(=O)NCc1ccco1
C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)NCc1ccco1 O=C(NCc1ccco1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1cccc(Cl)c1)C(=O)N[*:1]
Cn1c(=O)c2c(nc3n2CC(c2ccc(Br)cc2)=NN3CCO)n(C)c1=O OCC[*:1] Cn1c(=O)c2c(nc3N(N=C(Cn32)c2ccc(Br)cc2)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc3n2CC(c2ccc(Br)cc2)=NN3CCO)n(C)c1=O Brc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc3N(CCO)N=C(Cn32)[*:1])n(C)c1=O
CCOC(=O)[C@H](CO)NC(=O)c1cnc2ccccc2c1 CCOC(=O)[*:1] O=C(N[C@@H](CO)[*:1])c1cnc2ccccc2c1
O=C(Nc1ccccc1Br)[C@@H]1CCCN(c2ncccn2)C1 Brc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ncccn1
O=C(Nc1ccccc1Br)[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(Nc1ccccc1Br)[C@@H]1CCCN(C1)[*:1]
COc1ccc2c(CC(=O)N(Cc3ccccc3)Cc3ccco3)coc2c1 c1ccc(cc1)C[*:1] COc1ccc2c(coc2c1)CC(=O)N(Cc1ccco1)[*:1]
COc1ccc2c(CC(=O)N(Cc3ccccc3)Cc3ccco3)coc2c1 c1coc(c1)[*:1] COc1ccc2c(coc2c1)CC(=O)N(Cc1ccccc1)C[*:1]
COc1ccc2c(CC(=O)N(Cc3ccccc3)Cc3ccco3)coc2c1 c1coc(c1)C[*:1] COc1ccc2c(coc2c1)CC(=O)N(Cc1ccccc1)[*:1]
COc1ccc2c(CC(=O)N(Cc3ccccc3)Cc3ccco3)coc2c1 c1ccc(cc1)[*:1] COc1ccc2c(coc2c1)CC(=O)N(Cc1ccco1)C[*:1]
O=C(NCCNC(=O)C1CC1)NCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCCNC(=O)C1CC1)NCc1ccc(cc1)[*:1]
O=C(NCCNC(=O)C1CC1)NCc1ccc(C(F)(F)F)cc1 O=C(N[*:1])C1CC1 O=C(NCC[*:1])NCc1ccc(cc1)C(F)(F)F
O=C(NCCNC(=O)C1CC1)NCc1ccc(C(F)(F)F)cc1 C1CC1[*:1] O=C(NCCNC(=O)[*:1])NCc1ccc(cc1)C(F)(F)F
O=C(NCCNC(=O)C1CC1)NCc1ccc(C(F)(F)F)cc1 O=C(NC[*:1])C1CC1 O=C(NCc1ccc(cc1)C(F)(F)F)NC[*:1]
O=c1c(Cl)coc2cc(OCc3cccc(Cl)c3)ccc12 Clc1cccc(c1)[*:1] O=c1c(Cl)coc2cc(ccc12)OC[*:1]
CC(=O)c1ccccc1NCc1nnnn1-c1ccc(OC(F)F)cc1 FC(F)O[*:1] CC(=O)c1ccccc1NCc1nnnn1-c1ccc(cc1)[*:1]
CC(=O)c1ccccc1NCc1nnnn1-c1ccc(OC(F)F)cc1 FC(F)[*:1] CC(=O)c1ccccc1NCc1nnnn1-c1ccc(cc1)O[*:1]
CC(=O)c1ccccc1NCc1nnnn1-c1ccc(OC(F)F)cc1 CC(=O)[*:1] FC(F)Oc1ccc(cc1)-n1nnnc1CNc1ccccc1[*:1]
Cc1cc(NC(=O)CN2CCN(CC(=O)N3CCC[C@@H]3c3cccs3)CC2)no1 Cc1cc(no1)NC(=O)[*:1] O=C(CN1CCN(CC1)C[*:1])N1CCC[C@@H]1c1cccs1
Cc1cc(NC(=O)CN2CCN(CC(=O)N3CCC[C@@H]3c3cccs3)CC2)no1 Cc1cc(no1)[*:1] O=C(CN1CCN(CC1)CC(=O)N1CCC[C@@H]1c1cccs1)N[*:1]
Cc1cc(NC(=O)CN2CCN(CC(=O)N3CCC[C@@H]3c3cccs3)CC2)no1 c1csc(c1)[*:1] Cc1cc(no1)NC(=O)CN1CCN(CC1)CC(=O)N1CCC[C@H]1[*:1]
CC(C)[C@@H](NC(=O)C1=Cc2cc(F)ccc2OC1)c1nc(C2CC2)no1 CC(C)[*:1] O=C(N[C@@H](c1nc(no1)C1CC1)[*:1])C1=Cc2cc(F)ccc2OC1
CC(C)[C@@H](NC(=O)C1=Cc2cc(F)ccc2OC1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@@H](NC(=O)C1=Cc2cc(F)ccc2OC1)[*:1]
CC(C)[C@@H](NC(=O)C1=Cc2cc(F)ccc2OC1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H](NC(=O)C1=Cc2cc(F)ccc2OC1)c1nc(no1)[*:1]
CCc1cccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)c1 CN(C)C(=O)[*:1] CCc1cccc(c1)S(=O)(=O)Nc1cccc(c1)[*:1]
CCN[C@H](c1ccc(C)c(C)c1)[C@H]1CN(C)CCO1 CCN[*:1] Cc1ccc(cc1C)[C@H]([C@H]1CN(C)CCO1)[*:1]
CCOCCn1nc(C)cc1C(=O)N1CCc2[nH+]c[nH]c2[C@@H]1C(=O)[O-] CCOC[*:1] Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3[C@@H]2C(=O)[O-])n(C[*:1])n1
CCOCCn1nc(C)cc1C(=O)N1CCc2[nH+]c[nH]c2[C@@H]1C(=O)[O-] CCOCC[*:1] Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3[C@@H]2C(=O)[O-])n(n1)[*:1]
CCOCCn1nc(C)cc1C(=O)N1CCc2[nH+]c[nH]c2[C@@H]1C(=O)[O-] O=C([O-])[*:1] CCOCCn1nc(C)cc1C(=O)N1CCc2[nH+]c[nH]c2[C@H]1[*:1]
CCOCCn1nc(C)cc1C(=O)N1CCc2[nH+]c[nH]c2[C@@H]1C(=O)[O-] CCO[*:1] Cc1cc(C(=O)N2CCc3[nH+]c[nH]c3[C@@H]2C(=O)[O-])n(CC[*:1])n1
CC(C)C[NH+](CC(=O)N1CCNC1=O)CC(C)C CC(C)[*:1] CC(C)C[NH+](CC(=O)N1CCNC1=O)C[*:1]
CC(C)C[NH+](CC(=O)N1CCNC1=O)CC(C)C CC(C)C[*:1] CC(C)C[NH+](CC(=O)N1CCNC1=O)[*:1]
Cc1nc2cc(NC(=O)C(=O)NC[C@@H](C(C)C)N3CCOCC3)ccc2o1 CC(C)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1nc2cc(NC(=O)C(=O)NC[C@@H](C(C)C)N3CCOCC3)ccc2o1 C1CN(CCO1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NC[C@@H](C(C)C)[*:1]
COCCN1CCN(C(=O)c2cc(C)ccc2O)CC1=O COCC[*:1] Cc1ccc(O)c(c1)C(=O)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)c2cc(C)ccc2O)CC1=O COC[*:1] Cc1ccc(O)c(c1)C(=O)N1CCN(C[*:1])C(=O)C1
CCCCCC(=O)N[C@@H]1CCCn2c(C)nnc21 CCCCC[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)[*:1]
CCCCCC(=O)N[C@@H]1CCCn2c(C)nnc21 CCC[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)CC[*:1]
CCCCCC(=O)N[C@@H]1CCCn2c(C)nnc21 CCCC[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)C[*:1]
O=C(NCc1ccccc1)N1CCC2(CC1)[C@@H]([O-])C[C@H]2O c1ccc(cc1)C[*:1] O=C(N[*:1])N1CCC2(CC1)[C@@H]([O-])C[C@H]2O
O=C(NCc1ccccc1)N1CCC2(CC1)[C@@H]([O-])C[C@H]2O c1ccc(cc1)[*:1] O=C(NC[*:1])N1CCC2(CC1)[C@@H]([O-])C[C@H]2O
CC(C)CNc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1 CC(C)(C)[*:1] CC(C)CNc1nc(nc(n1)Oc1ccc(=O)n(C)n1)N[*:1]
CC(C)CNc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1 CC(C)C[*:1] Cn1nc(ccc1=O)Oc1nc(nc(n1)N[*:1])NC(C)(C)C
CC(C)CNc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1 CC(C)[*:1] Cn1nc(ccc1=O)Oc1nc(nc(n1)NC(C)(C)C)NC[*:1]
CC(C)CNc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1 Cn1nc(ccc1=O)[*:1] CC(C)CNc1nc(nc(n1)O[*:1])NC(C)(C)C
CC(C)CNc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1 CC(C)CN[*:1] Cn1nc(ccc1=O)Oc1nc(nc(n1)[*:1])NC(C)(C)C
CC(C)CNc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1 CC(C)(C)N[*:1] CC(C)CNc1nc(nc(n1)[*:1])Oc1ccc(=O)n(C)n1
C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(F)cc1)c1ccc(F)cn1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](c1ccc(F)cc1)[*:1])c1ccc(F)cn1
C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(F)cc1)c1ccc(F)cn1 Fc1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](c1ccccc1)[*:1])c1ccc(F)cn1
C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(F)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(F)cc1)[*:1]
CCC[NH2+][C@@H]1COc2cc(OC/C(Cl)=C/Cl)ccc21 Cl/C=C(\Cl)C[*:1] CCC[NH2+][C@@H]1COc2cc(ccc21)O[*:1]
CCC[NH2+][C@@H]1COc2cc(OC/C(Cl)=C/Cl)ccc21 Cl/C=C(\Cl)[*:1] CCC[NH2+][C@@H]1COc2cc(ccc21)OC[*:1]
CCC[NH2+][C@@H]1COc2cc(OC/C(Cl)=C/Cl)ccc21 Cl/C=C(\Cl)CO[*:1] CCC[NH2+][C@@H]1COc2cc(ccc21)[*:1]
CCC[NH2+][C@@H]1COc2cc(OC/C(Cl)=C/Cl)ccc21 CCC[*:1] Cl/C=C(\Cl)COc1ccc2c(c1)OC[C@H]2[NH2+][*:1]
COC(=O)C[C@H]1CCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 COC(=O)C[*:1] Cc1ccc(cc1NC(=O)N1CC[C@@H](C1)[*:1])S(N)(=O)=O
COC(=O)C[C@H]1CCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)N1CC[C@@H](C1)C[*:1])S(N)(=O)=O
COC(=O)C[C@H]1CCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1 NS(=O)(=O)[*:1] COC(=O)C[C@H]1CCN(C1)C(=O)Nc1cc(ccc1C)[*:1]
CCNC(=O)c1ccc(CNC(=O)c2oc3c(Cl)cccc3c2C)cc1 CCNC(=O)[*:1] Cc1c(oc2c(Cl)cccc12)C(=O)NCc1ccc(cc1)[*:1]
CCc1cc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)on1 N#Cc1ccc(cc1)[*:1] CCc1cc(CNC(=O)CS(=O)(=O)C[*:1])on1
CCc1cc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)on1 CCc1cc(C[*:1])on1 N#Cc1ccc(cc1)CS(=O)(=O)CC(=O)N[*:1]
CCc1cc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)on1 CCc1cc(on1)[*:1] N#Cc1ccc(cc1)CS(=O)(=O)CC(=O)NC[*:1]
Nc1nc(-c2ccc(F)cc2)cc(-c2ccccc2F)n1 Fc1ccccc1[*:1] Nc1nc(cc(n1)[*:1])-c1ccc(F)cc1
Nc1nc(-c2ccc(F)cc2)cc(-c2ccccc2F)n1 Fc1ccc(cc1)[*:1] Nc1nc(cc(n1)[*:1])-c1ccccc1F
Cc1csc(=O)n1CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 CC(C)(C)[*:1] Cc1csc(=O)n1CC(=O)NNC(=O)c1cc2C[C@H](CCc2s1)[*:1]
Cc1csc(=O)n1CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 Cc1csc(=O)n1C[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)NNC(=O)[*:1]
Cc1csc(=O)n1CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 Cc1csc(=O)n1[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)NNC(=O)C[*:1]
CC(C)C(=O)N(Cc1cccc(OS(C)(=O)=O)c1)C(C)C CC(C)[*:1] CC(C)N(Cc1cccc(c1)OS(C)(=O)=O)C(=O)[*:1]
CC(C)C(=O)N(Cc1cccc(OS(C)(=O)=O)c1)C(C)C CC(C)[*:1] CC(C)C(=O)N(Cc1cccc(c1)OS(C)(=O)=O)[*:1]
CC(C)C(=O)N(Cc1cccc(OS(C)(=O)=O)c1)C(C)C CS(=O)(=O)O[*:1] CC(C)C(=O)N(Cc1cccc(c1)[*:1])C(C)C
CC(C)[NH+](CCNS(=O)(=O)c1ccc(F)cc1F)C(C)C CC(C)[*:1] CC(C)[NH+](CCNS(=O)(=O)c1ccc(F)cc1F)[*:1]
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 CC(C)(C)[*:1] O=C(Nc1ccc2OCCOc2c1)N1CCN(CC1)C(=O)O[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(Cl)c(Cl)c1
CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O Clc1ccc(cc1Cl)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O Fc1cccc(Cl)c1C[*:1] CN(C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(Cl)c(Cl)c1)[*:1]
Cc1cc(C)n(C(=O)CCNC(=O)c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1cc(C)n(n1)C(=O)CCNC(=O)[*:1]
O=C(NCc1ccccn1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 c1ccc(nc1)[*:1] O=C(NC[*:1])Nc1ccn(n1)-c1ccc(Cl)cc1Cl
O=C(NCc1ccccn1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 Clc1ccc(c(Cl)c1)[*:1] O=C(NCc1ccccn1)Nc1ccn(n1)[*:1]
O=C(NCc1ccccn1)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 c1ccc(C[*:1])nc1 O=C(Nc1ccn(n1)-c1ccc(Cl)cc1Cl)N[*:1]
CCCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O CCC[*:1] C[C@@H](OC[*:1])C(=O)N(C)[C@@H]1CCN(C1=O)c1ccccc1Cl
CCCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O CCCC[*:1] C[C@@H](O[*:1])C(=O)N(C)[C@@H]1CCN(C1=O)c1ccccc1Cl
CCCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] CCCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(C1=O)[*:1]
CCCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O CCCCO[C@H](C)[*:1] CN(C(=O)[*:1])[C@@H]1CCN(C1=O)c1ccccc1Cl
CCCCO[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O CCCCO[*:1] C[C@H](C(=O)N(C)[C@@H]1CCN(C1=O)c1ccccc1Cl)[*:1]
O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 C(=C[*:1])c1ccccc1 O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCC[C@H](C1)c1nc2ccccc2s1
O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)C=C[*:1])N1CCC[C@H](C1)c1nc2ccccc2s1
O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1)N1CCC[C@@H](C1)[*:1]
Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)no1 Cc1nc(no1)[*:1] O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H](C1)[*:1]
CC/[NH+]=C(/NC[C@H]1CCC[C@H]1O)N[C@@H](C)c1ccccc1C O[C@@H]1CCC[C@@H]1[*:1] CC/[NH+]=C(/NC[*:1])N[C@@H](C)c1ccccc1C
CC/[NH+]=C(/NC[C@H]1CCC[C@H]1O)N[C@@H](C)c1ccccc1C O[C@@H]1CCC[C@@H]1C[*:1] CC/[NH+]=C(\N[C@@H](C)c1ccccc1C)N[*:1]
CC/[NH+]=C(/NC[C@H]1CCC[C@H]1O)N[C@@H](C)c1ccccc1C Cc1ccccc1[*:1] CC/[NH+]=C(/NC[C@H]1CCC[C@H]1O)N[C@@H](C)[*:1]
O=C(COc1ccc(Cl)cc1Br)NC[C@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] O=C(COc1ccc(Cl)cc1Br)NC[C@H]([NH+]1CCCC1)[*:1]
O=C(COc1ccc(Cl)cc1Br)NC[C@H](c1ccco1)[NH+]1CCCC1 Clc1ccc(c(Br)c1)[*:1] O=C(CO[*:1])NC[C@H](c1ccco1)[NH+]1CCCC1
COc1cc2ncn(CC(=O)Nc3ccc(C(C)(C)C)cc3)c(=O)c2cc1OC CC(C)(C)[*:1] COc1cc2ncn(CC(=O)Nc3ccc(cc3)[*:1])c(=O)c2cc1OC
Cc1cccc(N(Cc2cccc3ccccc23)C2=NC(=O)CS2)c1 Cc1cccc(c1)[*:1] O=C1CSC(=N1)N(Cc1cccc2ccccc12)[*:1]
C=CCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@H]2c1cccc(F)c1F C=CC[*:1] O=C1C[C@@H](c2cccc(F)c2F)[C@@H]2C(=O)N=C(N=C2N1)S[*:1]
C=CCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@H]2c1cccc(F)c1F Fc1cccc(c1F)[*:1] C=CCSC1=NC(=O)[C@@H]2C(=N1)NC(=O)C[C@@H]2[*:1]
Cc1nnsc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCN(C)CC2)cn1 Cc1nnsc1[*:1] CN1CCN(CC1)C(=O)c1ccc(nc1)[C@H]1CCCN1C(=O)[*:1]
Cc1nnsc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCN(C)CC2)cn1 CN1CCN(CC1)C(=O)[*:1] Cc1nnsc1C(=O)N1CCC[C@@H]1c1ccc(cn1)[*:1]
CCC[NH2+][C@H](Cc1cccc2ccccc12)C(C)(C)OC CCC[*:1] COC(C)(C)[C@@H](Cc1cccc2ccccc12)[NH2+][*:1]
CCC[NH2+][C@H](Cc1cccc2ccccc12)C(C)(C)OC COC(C)(C)[*:1] CCC[NH2+][C@H](Cc1cccc2ccccc12)[*:1]
Cc1nnc2n1CCC[C@@H]2[NH2+]Cc1ccc(OC(C)C)cc1 CC(C)O[*:1] Cc1nnc2[C@H](CCCn12)[NH2+]Cc1ccc(cc1)[*:1]
Cc1nnc2n1CCC[C@@H]2[NH2+]Cc1ccc(OC(C)C)cc1 CC(C)[*:1] Cc1nnc2[C@H](CCCn12)[NH2+]Cc1ccc(cc1)O[*:1]
Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 O=C([O-])[*:1] Cc1sc(cc1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1)[*:1]
CNC(=O)c1ccc(NC(=O)CSCC(F)(F)F)cc1Cl CNC(=O)[*:1] O=C(CSCC(F)(F)F)Nc1ccc(c(Cl)c1)[*:1]
CNC(=O)c1ccc(NC(=O)CSCC(F)(F)F)cc1Cl FC(F)(F)C[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)CS[*:1]
CNC(=O)c1ccc(NC(=O)CSCC(F)(F)F)cc1Cl FC(F)(F)CS[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)C[*:1]
CNC(=O)c1ccc(NC(=O)CSCC(F)(F)F)cc1Cl FC(F)(F)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)CSC[*:1]
CNC(=O)c1ccc(NC(=O)CSCC(F)(F)F)cc1Cl FC(F)(F)CSC[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3cccs3)CC2)c1 c1csc(c1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3cccs3)CC2)c1 O=C(N[*:1])c1cccs1 Cc1ccc(C)c(c1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)c3cccs3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NC1CCN(CC1)S(=O)(=O)[*:1])c1cccs1
CCCC1=C2[C@H](N=N1)OC(N)=C(C#N)[C@@H]2c1ccc(OC)c(Cn2nc(C)c(Br)c2C)c1 Cc1nn(C[*:1])c(C)c1Br CCCC1N=N[C@@H]2OC(N)=C(C#N)[C@@H](C=12)c1ccc(OC)c(c1)[*:1]
CCCC1=C2[C@H](N=N1)OC(N)=C(C#N)[C@@H]2c1ccc(OC)c(Cn2nc(C)c(Br)c2C)c1 CCC[*:1] COc1ccc(cc1Cn1nc(C)c(Br)c1C)[C@H]1C(C#N)=C(N)O[C@H]2N=NC(=C21)[*:1]
CCCC1=C2[C@H](N=N1)OC(N)=C(C#N)[C@@H]2c1ccc(OC)c(Cn2nc(C)c(Br)c2C)c1 Cc1nn(c(C)c1Br)[*:1] CCCC1N=N[C@@H]2OC(N)=C(C#N)[C@@H](C=12)c1ccc(OC)c(c1)C[*:1]
Cc1ccc2c(CC(=O)N3CCC[C@@H]4CN(C(=O)c5ccccc5F)CC[C@@H]43)cc(=O)oc2c1 Fc1ccccc1[*:1] Cc1ccc2c(cc(=O)oc2c1)CC(=O)N1CCC[C@@H]2CN(CC[C@@H]21)C(=O)[*:1]
C=CCSc1nnc(-c2cccnc2)n1C1CC1 C=CCS[*:1] c1cncc(c1)-c1nnc(n1C1CC1)[*:1]
C=CCSc1nnc(-c2cccnc2)n1C1CC1 C1CC1[*:1] C=CCSc1nnc(-c2cccnc2)n1[*:1]
C=CCSc1nnc(-c2cccnc2)n1C1CC1 C=CC[*:1] c1cncc(c1)-c1nnc(S[*:1])n1C1CC1
C=CCSc1nnc(-c2cccnc2)n1C1CC1 c1cncc(c1)[*:1] C=CCSc1nnc(n1C1CC1)[*:1]
O=C([O-])c1[nH]nc2ncc(F)cc12 O=C([O-])[*:1] Fc1cnc2n[nH]c(c2c1)[*:1]
CC(C)[C@H]1C[NH2+]CC[C@@H]1c1cccc2cccnc12 CC(C)[*:1] c1cnc2c(cccc2c1)[C@H]1CC[NH2+]C[C@@H]1[*:1]
COC[C@H](NC(=O)c1ccncc1)c1ccc(F)c(F)c1 c1cc(ccn1)[*:1] COC[C@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)c1ccncc1)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)[*:1])c1ccncc1
Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)NC[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1ccc(Cl)nc1 Clc1ccc(cn1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1ccc(Cl)nc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)NCc1ccc(Cl)nc1)[*:1]
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CC[*:1]
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[*:1]
CC(=O)c1cccc(NC(=O)CNC(=O)c2cc3ccccn3n2)c1 CC(=O)[*:1] O=C(CNC(=O)c1cc2ccccn2n1)Nc1cccc(c1)[*:1]
O=C(CCSc1nnnn1C1CC1)Nc1ccc(N2CCCC2=O)cc1 C1CC1[*:1] O=C(CCSc1nnnn1[*:1])Nc1ccc(cc1)N1CCCC1=O
O=C(CCSc1nnnn1C1CC1)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(CCSc1nnnn1C1CC1)Nc1ccc(cc1)[*:1]
O=C(CCSc1nnnn1C1CC1)Nc1ccc(N2CCCC2=O)cc1 C1CC1n1nnnc1[*:1] O=C(CCS[*:1])Nc1ccc(cc1)N1CCCC1=O
O=C(COc1nsnc1N1CCOCC1)N(Cc1ccncc1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(COc1nsnc1N1CCOCC1)N(Cc1ccncc1)[*:1]
O=C(COc1nsnc1N1CCOCC1)N(Cc1ccncc1)C1CCCCC1 c1cc(ccn1)[*:1] O=C(COc1nsnc1N1CCOCC1)N(C[*:1])C1CCCCC1
O=C(COc1nsnc1N1CCOCC1)N(Cc1ccncc1)C1CCCCC1 c1cc(ccn1)C[*:1] O=C(COc1nsnc1N1CCOCC1)N(C1CCCCC1)[*:1]
O=C(COc1nsnc1N1CCOCC1)N(Cc1ccncc1)C1CCCCC1 C1CN(CCO1)[*:1] O=C(COc1nsnc1[*:1])N(Cc1ccncc1)C1CCCCC1
COc1cc(CNC(=O)c2cc(C)on2)ccn1 Cc1cc(no1)[*:1] COc1cc(ccn1)CNC(=O)[*:1]
CCOc1ccccc1N1C[C@H](/C([O-])=N/c2nc(-c3ccccc3OC)n[nH]2)CC1=O COc1ccccc1[*:1] CCOc1ccccc1N1C[C@@H](CC1=O)/C([O-])=N/c1nc(n[nH]1)[*:1]
CCOc1ccccc1N1C[C@H](/C([O-])=N/c2nc(-c3ccccc3OC)n[nH]2)CC1=O CCOc1ccccc1[*:1] COc1ccccc1-c1n[nH]c(/N=C(\[O-])[C@@H]2CC(=O)N(C2)[*:1])n1
CCOc1ccccc1N1C[C@H](/C([O-])=N/c2nc(-c3ccccc3OC)n[nH]2)CC1=O CCO[*:1] COc1ccccc1-c1n[nH]c(/N=C(\[O-])[C@@H]2CC(=O)N(C2)c2ccccc2[*:1])n1
Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)CC2)c1C Clc1ccc(cc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)CCNS(=O)(=O)[*:1]
Cc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2N2CCCCC2)cc1 C1CCN(CC1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCn1nnc2ccccc2c1=O
Cc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2N2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=c1c2ccccc2nnn1CSc1nnc(N2CCCCC2)n1[*:1]
CNC(=O)NCCOCC(=O)[O-] O=C([O-])C[*:1] CNC(=O)NCCO[*:1]
CNC(=O)NCCOCC(=O)[O-] O=C([O-])[*:1] CNC(=O)NCCOC[*:1]
CN1/C(=C\C=C(C#N)C#N)C(C)(C)c2ccccc21 N#CC(C#N)=C[*:1] CN1C(=C[*:1])C(C)(C)c2ccccc21
CC(C)C[C@H](C)OC(=O)c1cnc(Oc2ccccc2)cn1 CC(C)[*:1] C[C@@H](C[*:1])OC(=O)c1cnc(cn1)Oc1ccccc1
CC(C)C[C@H](C)OC(=O)c1cnc(Oc2ccccc2)cn1 CC(C)C[C@H](C)[*:1] O=C(O[*:1])c1cnc(cn1)Oc1ccccc1
CC(C)C[C@H](C)OC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CC(C)C[C@H](C)OC(=O)c1cnc(cn1)O[*:1]
CC(C)C[C@H](C)OC(=O)c1cnc(Oc2ccccc2)cn1 CC(C)C[*:1] C[C@H](OC(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
CC(C)C[C@H](C)OC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] CC(C)C[C@H](C)OC(=O)c1cnc(cn1)[*:1]
COCCNC(=O)Nc1nnc(SCc2ccccc2Cl)s1 COC[*:1] O=C(NC[*:1])Nc1nnc(SCc2ccccc2Cl)s1
COCCNC(=O)Nc1nnc(SCc2ccccc2Cl)s1 COCC[*:1] O=C(Nc1nnc(SCc2ccccc2Cl)s1)N[*:1]
COCCNC(=O)Nc1nnc(SCc2ccccc2Cl)s1 Clc1ccccc1[*:1] COCCNC(=O)Nc1nnc(SC[*:1])s1
Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)C=C[*:1])c1ccc(cc1)-n1cncn1
Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)o1 c1ncn(n1)[*:1] Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(cc2)[*:1])o1
Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)o1 Cc1ccc(C=C[*:1])o1 C[C@H](NC(=O)[*:1])c1ccc(cc1)-n1cncn1
O=C(COc1ccccc1[N+](=O)[O-])NCCc1ccc(O)cc1 O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])NCCc1ccc(O)cc1
O=C(COc1ccccc1[N+](=O)[O-])NCCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(COc1ccccc1[N+](=O)[O-])NCC[*:1]
CCCc1n[nH]c(/N=C(\[O-])N(C)Cc2nnc(C)o2)n1 Cc1nnc(o1)[*:1] CCCc1n[nH]c(/N=C(\[O-])N(C)C[*:1])n1
CCCc1n[nH]c(/N=C(\[O-])N(C)Cc2nnc(C)o2)n1 CCC[*:1] Cc1nnc(CN(C)/C([O-])=N/c2nc(n[nH]2)[*:1])o1
CCOC(=O)N1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2F)CC1 Fc1ccccc1[*:1] CCOC(=O)N1CC[NH+](CC1)[C@@H](C)C(=O)N[*:1]
O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1Br c1coc(c1)[*:1] O=C(Nc1nnc(s1)[*:1])c1ccccc1Br
O=C([O-])[C@@H]1C=C[C@@H](Nc2ccc3ccccc3n2)C1 O=C([O-])[*:1] C1=C[C@H](C[C@@H]1Nc1ccc2ccccc2n1)[*:1]
CCOC(=O)C1CCN(C(=O)[C@H](C)N2CC[NH+](CC)CC2)CC1 CCOC(=O)[*:1] CC[NH+]1CCN(CC1)[C@@H](C)C(=O)N1CCC(CC1)[*:1]
O=C(NCCCN1CCCC1=O)c1cccc2ccoc12 O=C1CCCN1[*:1] O=C(NCCC[*:1])c1cccc2ccoc12
O=C(NCCCN1CCCC1=O)c1cccc2ccoc12 O=C1CCCN1C[*:1] O=C(NCC[*:1])c1cccc2ccoc12
CC(C)S(=O)(=O)CC(=O)NC[C@@H](c1ccco1)[NH+](C)C CC(C)S(=O)(=O)[*:1] C[NH+](C)[C@@H](CNC(=O)C[*:1])c1ccco1
CC(C)S(=O)(=O)CC(=O)NC[C@@H](c1ccco1)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@@H](CNC(=O)CS(=O)(=O)[*:1])c1ccco1
CC(C)S(=O)(=O)CC(=O)NC[C@@H](c1ccco1)[NH+](C)C c1coc(c1)[*:1] CC(C)S(=O)(=O)CC(=O)NC[C@@H]([NH+](C)C)[*:1]
CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1[*:1]
CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1c1ccccc1 CC(C)(C)[*:1] O=C(CNC(=O)[*:1])N1CCC[C@@H]1c1ccccc1
CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1c1ccccc1 CC(C)(C)C(=O)N[*:1] O=C(C[*:1])N1CCC[C@@H]1c1ccccc1
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N1C[C@@H](C)C[C@H](C)C1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)OCC(=O)N1C[C@@H](C)C[C@H](C)C1)[*:1]
CC(C)(C)C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 CC(C)(C)[*:1] O=C(Nc1ccc(Cl)cc1Cl)N1CCN(CC1)C(=O)[*:1]
Cc1ccccc1C1=NO[C@H]([C@H]2C=C(c3ccco3)N=N2)N1 c1coc(c1)[*:1] Cc1ccccc1C1=NO[C@@H](N1)[C@H]1C=C(N=N1)[*:1]
Cc1ccccc1C1=NO[C@H]([C@H]2C=C(c3ccco3)N=N2)N1 Cc1ccccc1[*:1] C1=C(N=N[C@H]1[C@@H]1NC(=NO1)[*:1])c1ccco1
CCn1cc(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)cn1 CC(C)(C)[*:1] CCn1cc(cn1)C(=O)N1CCCC[C@H]1CNC(=O)O[*:1]
CCn1cc(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)cn1 CC(C)(C)OC(=O)N[*:1] CCn1cc(cn1)C(=O)N1CCCC[C@H]1C[*:1]
CCn1cc(C(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)cn1 CCn1cc(cn1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)[*:1]
Cc1csc([C@H](C#N)C(=O)[C@H](NC(=O)c2ccco2)C(C)C)n1 Cc1csc(n1)[*:1] CC(C)[C@@H](NC(=O)c1ccco1)C(=O)[C@@H](C#N)[*:1]
Cc1csc([C@H](C#N)C(=O)[C@H](NC(=O)c2ccco2)C(C)C)n1 c1coc(c1)[*:1] Cc1csc(n1)[C@H](C#N)C(=O)[C@H](NC(=O)[*:1])C(C)C
Cc1csc([C@H](C#N)C(=O)[C@H](NC(=O)c2ccco2)C(C)C)n1 CC(C)[*:1] Cc1csc(n1)[C@H](C#N)C(=O)[C@H](NC(=O)c1ccco1)[*:1]
O=C(CC1(O)CCCC1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 OC1(CCCC1)[*:1] O=C(C[*:1])N1CCN(Cc2ccc(Cl)cc2)C(=O)C1
O=C(CC1(O)CCCC1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 Clc1ccc(cc1)[*:1] O=C(CC1(O)CCCC1)N1CCN(C[*:1])C(=O)C1
O=C(CC1(O)CCCC1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 Clc1ccc(cc1)C[*:1] O=C(CC1(O)CCCC1)N1CCN(C(=O)C1)[*:1]
O=C(CC1(O)CCCC1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 OC1(CCCC1)C[*:1] O=C1CN(CCN1Cc1ccc(Cl)cc1)C(=O)[*:1]
CCCCOC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 c1ccc(nc1)[*:1] CCCCOC(=O)N1CCC[C@]2(CCC(=O)N(C2)C[*:1])C1
CCCCOC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 CCCC[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)O[*:1])CN1Cc1ccccn1
CCCCOC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 CCC[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)OC[*:1])CN1Cc1ccccn1
CCCCOC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 c1ccc(C[*:1])nc1 CCCCOC(=O)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
CN(C)c1nccc(N2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)n1 CN(C)[*:1] O=C(c1ccc(F)c(F)c1F)N1CCN(CC1)c1ccnc(n1)[*:1]
COc1ccc([C@H](N[C@H](C)c2cnc3cc(C)nn3c2C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](N[C@H](C)c1cnc2cc(C)nn2c1C)[*:1]
COc1ccc([C@H](N[C@H](C)c2cnc3cc(C)nn3c2C)C(C)C)cc1 COc1ccc(cc1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)N[C@H](C(C)C)[*:1]
CC(=O)c1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccnc1Oc1ccccc1
CC(=O)c1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1cccnc1O[*:1]
CC(=O)c1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1 c1ccc(cc1)O[*:1] CC(=O)c1cccc(c1)NC(=O)c1cccnc1[*:1]
O=C(CN1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1)NC1CC1 C1CCN(C1)[*:1] O=C(CN1CCN(CC1)C(=O)NCc1ccc([nH+]c1)[*:1])NC1CC1
O=C(CN1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(NCc1ccc([nH+]c1)N1CCCC1)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)C(=O)NCc1ccc([nH+]c1)N1CCCC1)N[*:1]
COc1cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc(OC)c1C c1ccc(cc1)SC[*:1] COc1cc(cc(OC)c1C)C(=O)N1CC[C@H](C1)[*:1]
COc1cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc(OC)c1C c1ccc(cc1)S[*:1] COc1cc(cc(OC)c1C)C(=O)N1CC[C@@H](C1)C[*:1]
COc1cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc(OC)c1C c1ccc(cc1)[*:1] COc1cc(cc(OC)c1C)C(=O)N1CC[C@H](CS[*:1])C1
COc1ccc(-c2csc(CNC(=O)C3C[C@H](C)O[C@@H](C)C3)c2)cc1 COc1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1cc(cs1)[*:1]
Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CCc2c(C)noc2C)on1 Cc1noc(C)c1CC[*:1] Cc1cc(on1)-c1cnc(nc1[C@H]1CCCN1C(=O)[*:1])N(C)C
Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CCc2c(C)noc2C)on1 CN(C)[*:1] Cc1cc(on1)-c1cnc(nc1[C@H]1CCCN1C(=O)CCc1c(C)noc1C)[*:1]
Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CCc2c(C)noc2C)on1 Cc1noc(C)c1C[*:1] Cc1cc(on1)-c1cnc(nc1[C@H]1CCCN1C(=O)C[*:1])N(C)C
Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CCc2c(C)noc2C)on1 Cc1noc(C)c1[*:1] Cc1cc(on1)-c1cnc(nc1[C@H]1CCCN1C(=O)CC[*:1])N(C)C
Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CCc2c(C)noc2C)on1 Cc1cc(on1)[*:1] Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1nc(ncc1[*:1])N(C)C
CN(Cc1cnccn1)Cc1cc2ccccc2s1 c1cnc(cn1)[*:1] CN(Cc1cc2ccccc2s1)C[*:1]
COc1c(C)cnc(CNC(=O)NCc2cccnc2OC(C)C)c1C CC(C)[*:1] COc1c(C)cnc(CNC(=O)NCc2cccnc2O[*:1])c1C
COc1c(C)cnc(CNC(=O)NCc2cccnc2OC(C)C)c1C CC(C)O[*:1] COc1c(C)cnc(CNC(=O)NCc2cccnc2[*:1])c1C
CN(C)[C@H]([NH3+])c1ccccc1 CN(C)[*:1] [NH3+][C@H](c1ccccc1)[*:1]
CCCN/C([O-])=C(\C#N)C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 CCC[*:1] N#C/C(C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)=C(/[O-])N[*:1]
CCCN/C([O-])=C(\C#N)C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 CCCN[*:1] N#C/C(C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)=C(/[O-])[*:1]
CCc1[nH]ncc1C(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1 CC(C)[*:1] CCc1[nH]ncc1C(=O)N1CCCN(CC1)Cc1[nH+]ccn1[*:1]
CCc1[nH]ncc1C(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1 CCc1[nH]ncc1[*:1] CC(C)n1cc[nH+]c1CN1CCCN(CC1)C(=O)[*:1]
Cc1ccc(CNC(=O)C2CCN(c3cccc[nH+]3)CC2)cc1F Cc1ccc(cc1F)[*:1] O=C(NC[*:1])C1CCN(CC1)c1cccc[nH+]1
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 CNS(=O)(=O)[*:1] C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(cc1)[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NCc1cccnc1 c1cncc(c1)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NC(=S)NC[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NC(=S)N[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NCc1cccnc1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])NC(=S)NCc1cccnc1
COc1cc(C)sc1C(=O)NCCCOc1ccccc1 c1ccc(cc1)[*:1] COc1cc(C)sc1C(=O)NCCCO[*:1]
COc1cc(C)sc1C(=O)NCCCOc1ccccc1 c1ccc(cc1)O[*:1] COc1cc(C)sc1C(=O)NCCC[*:1]
O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
Cc1c([C@H](C)[NH2+]Cc2cc[nH]c2)oc2ccc(F)cc12 c1cc(c[nH]1)[*:1] Cc1c(oc2ccc(F)cc12)[C@H](C)[NH2+]C[*:1]
CN(C(=O)c1ccncc1C#CC[NH3+])c1ccccc1F Fc1ccccc1[*:1] CN(C(=O)c1ccncc1C#CC[NH3+])[*:1]
CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCC(=O)O1 CC(C)(C)[*:1] O=C1CC[C@H](O1)C(=O)NC[C@@H]1CCO[C@H]1[*:1]
CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCC(=O)O1 O=C1CC[C@H](O1)[*:1] CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)[*:1]
Cc1cccc(C(=O)N[C@H]2C[C@@H]2C)c1C C[C@H]1C[C@@H]1[*:1] Cc1cccc(C(=O)N[*:1])c1C
COCC1=C(C(=O)[O-])[C@H](C)N=N1 COC[*:1] C[C@@H]1N=NC(=C1C(=O)[O-])[*:1]
COCC1=C(C(=O)[O-])[C@H](C)N=N1 O=C([O-])[*:1] COCC1N=N[C@@H](C)C=1[*:1]
Cc1ccc(C)c(N[C@H]2CC(=O)N(c3ccc(O)cc3)C2=O)c1 Oc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N[C@H]1CC(=O)N(C1=O)[*:1]
CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(C)c(C(N)=O)c2)c1 CC(=O)[*:1] Cc1ccc(cc1C(N)=O)NC(=O)[C@@H](C)Oc1cccc(c1)[*:1]
CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(C)c(C(N)=O)c2)c1 NC(=O)[*:1] CC(=O)c1cccc(c1)O[C@H](C)C(=O)Nc1ccc(C)c(c1)[*:1]
Cc1nc(CN2CCN(C(=O)N[C@H](c3ccccc3C)C(C)C)CC2)cs1 Cc1nc(cs1)C[*:1] Cc1ccccc1[C@@H](NC(=O)N1CCN(CC1)[*:1])C(C)C
Cc1nc(CN2CCN(C(=O)N[C@H](c3ccccc3C)C(C)C)CC2)cs1 CC(C)[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)N[C@H](c1ccccc1C)[*:1]
Cc1nc(CN2CCN(C(=O)N[C@H](c3ccccc3C)C(C)C)CC2)cs1 Cc1ccccc1[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)N[C@H](C(C)C)[*:1]
Cc1nc(CN2CCN(C(=O)N[C@H](c3ccccc3C)C(C)C)CC2)cs1 Cc1nc(cs1)[*:1] Cc1ccccc1[C@@H](NC(=O)N1CCN(CC1)C[*:1])C(C)C
Cc1cc(-c2cnc(C(C)C)nc2C2CCC(CNC(=O)c3scnc3C)CC2)on1 CC(C)[*:1] Cc1cc(on1)-c1cnc(nc1C1CCC(CC1)CNC(=O)c1scnc1C)[*:1]
Cc1cc(-c2cnc(C(C)C)nc2C2CCC(CNC(=O)c3scnc3C)CC2)on1 Cc1ncsc1C(=O)N[*:1] Cc1cc(on1)-c1cnc(nc1C1CCC(CC1)C[*:1])C(C)C
Cc1cc(-c2cnc(C(C)C)nc2C2CCC(CNC(=O)c3scnc3C)CC2)on1 Cc1cc(on1)[*:1] Cc1ncsc1C(=O)NCC1CCC(CC1)c1nc(ncc1[*:1])C(C)C
Cc1cc(-c2cnc(C(C)C)nc2C2CCC(CNC(=O)c3scnc3C)CC2)on1 Cc1ncsc1C(=O)NC[*:1] Cc1cc(on1)-c1cnc(nc1C1CCC(CC1)[*:1])C(C)C
Cc1cc(-c2cnc(C(C)C)nc2C2CCC(CNC(=O)c3scnc3C)CC2)on1 Cc1ncsc1[*:1] Cc1cc(on1)-c1cnc(nc1C1CCC(CC1)CNC(=O)[*:1])C(C)C
COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccccc3Cl)CC2)c1 Clc1ccccc1[*:1] COc1ccc(C(=O)NC2CC2)c(c1)OC1CC[NH+](CC1)C[*:1]
COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccccc3Cl)CC2)c1 C1CC1[*:1] COc1ccc(C(=O)N[*:1])c(c1)OC1CC[NH+](CC1)Cc1ccccc1Cl
COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccccc3Cl)CC2)c1 O=C(NC1CC1)[*:1] COc1ccc(c(c1)OC1CC[NH+](CC1)Cc1ccccc1Cl)[*:1]
COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccccc3Cl)CC2)c1 Clc1ccccc1C[*:1] COc1ccc(C(=O)NC2CC2)c(c1)OC1CC[NH+](CC1)[*:1]
COc1ccccc1Cn1ncc2[nH]c(-c3cc4c(cc3OC)OCO4)nc21 COc1ccccc1[*:1] COc1cc2OCOc2cc1-c1nc2c(cnn2C[*:1])[nH]1
COc1ccccc1Cn1ncc2[nH]c(-c3cc4c(cc3OC)OCO4)nc21 COc1ccccc1C[*:1] COc1cc2OCOc2cc1-c1nc2c(cnn2[*:1])[nH]1
COc1ccc(NC(=O)C(=O)N/N=C/c2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)NC(=O)C(=O)NN=C[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1ccc(OCC)cc1 CCO[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1ccc(OCC)cc1 CCOc1ccc(cc1)[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)[*:1]
CCn1c(NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)nc2ccccc21 CSC[*:1] CCn1c(nc2ccccc21)NC(=O)[C@H](C[*:1])N1C(=O)c2ccccc2C1=O
CCn1c(NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)nc2ccccc21 CSCC[*:1] CCn1c(nc2ccccc21)NC(=O)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccco1 c1coc(c1)C[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccco1 c1coc(c1)[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1C[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccco1 Fc1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1ccnn1Cc1ccco1)[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccco1 Fc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccnn1Cc1ccco1
CCNC(=O)C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 CCNC(=O)C[*:1] Fc1ccc(cc1)-c1n[nH]cc1C[NH2+][*:1]
CCNC(=O)C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 CCNC(=O)[*:1] Fc1ccc(cc1)-c1n[nH]cc1C[NH2+]C[*:1]
CC[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1cc(F)ccc1F NC(=O)NC[*:1] CC[C@H](NC(=O)c1ccc(cc1)[*:1])c1cc(F)ccc1F
CC[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1cc(F)ccc1F NC(=O)N[*:1] CC[C@H](NC(=O)c1ccc(cc1)C[*:1])c1cc(F)ccc1F
CC[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@H](NC(=O)c1ccc(cc1)CNC(N)=O)[*:1]
COc1ccc(C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)c(O)c1 Cc1nccn1[*:1] COc1ccc(C(=O)NCc2ccc(c(F)c2)[*:1])c(O)c1
CC(C)(C)NC(=O)CN1CCN(C(=O)c2c(F)cccc2F)CC1 CC(C)(C)NC(=O)C[*:1] O=C(c1c(F)cccc1F)N1CCN(CC1)[*:1]
CC(C)(C)NC(=O)CN1CCN(C(=O)c2c(F)cccc2F)CC1 CC(C)(C)NC(=O)[*:1] O=C(c1c(F)cccc1F)N1CCN(CC1)C[*:1]
CC(C)(C)NC(=O)CN1CCN(C(=O)c2c(F)cccc2F)CC1 CC(C)(C)[*:1] O=C(CN1CCN(CC1)C(=O)c1c(F)cccc1F)N[*:1]
CC(C)(C)NC(=O)CN1CCN(C(=O)c2c(F)cccc2F)CC1 Fc1cccc(F)c1[*:1] CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)[*:1]
COCc1cccc(C(=O)NCc2ccc(C)cc2)c1 COC[*:1] Cc1ccc(cc1)CNC(=O)c1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)n2)c1 Clc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1nnn(n1)[*:1]
CC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)n2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1nnn(n1)-c1ccc(Cl)cc1
CC(C)(C)N(CC(=O)[O-])C(=O)N1CC[C@H](C[NH3+])C1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)N1CC[C@H](C[NH3+])C1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)N1CC[C@H](C[NH3+])C1 CC(C)(C)[*:1] [NH3+]C[C@H]1CCN(C1)C(=O)N(CC(=O)[O-])[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)N1CC[C@H](C[NH3+])C1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)N1CC[C@H](C[NH3+])C1
COCCCOc1cccc(NC(=O)c2nccn3ccnc23)c1 COC[*:1] O=C(Nc1cccc(c1)OCC[*:1])c1nccn2ccnc12
COCCCOc1cccc(NC(=O)c2nccn3ccnc23)c1 COCCC[*:1] O=C(Nc1cccc(c1)O[*:1])c1nccn2ccnc12
COCCCOc1cccc(NC(=O)c2nccn3ccnc23)c1 COCCCO[*:1] O=C(Nc1cccc(c1)[*:1])c1nccn2ccnc12
COCCCOc1cccc(NC(=O)c2nccn3ccnc23)c1 COCC[*:1] O=C(Nc1cccc(c1)OC[*:1])c1nccn2ccnc12
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CC[C@H](O)C1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(c(c1)[*:1])N1CC[C@H](O)C1)N1CCCCCC1
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CC[C@H](O)C1 O[C@H]1CCN(C1)[*:1] O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)N1CCCCCC1
CCOc1ccc(NC(=O)c2ccc(OC)cc2)c(C)c1 CCO[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1C)[*:1]
CCOc1c(Br)cc(C(=O)Nc2cncc(C)c2)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])C(=O)Nc1cncc(C)c1
CCOc1c(Br)cc(C(=O)Nc2cncc(C)c2)cc1OC Cc1cncc(c1)[*:1] CCOc1c(Br)cc(cc1OC)C(=O)N[*:1]
CNC(=O)c1cc(OC)ccc1NC(=O)CCCn1ccnn1 c1cn(nn1)[*:1] CNC(=O)c1cc(ccc1NC(=O)CCC[*:1])OC
CNC(=O)c1cc(OC)ccc1NC(=O)CCCn1ccnn1 c1cn(CC[*:1])nn1 CNC(=O)c1cc(ccc1NC(=O)C[*:1])OC
CNC(=O)c1cc(OC)ccc1NC(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 CNC(=O)c1cc(ccc1NC(=O)CC[*:1])OC
CNC(=O)c1cc(OC)ccc1NC(=O)CCCn1ccnn1 CNC(=O)[*:1] COc1ccc(NC(=O)CCCn2ccnn2)c(c1)[*:1]
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccn(C)c(=O)c2)C1 O=C([O-])[*:1] CO[C@@H]1C[C@H](N(C1)C(=O)c1ccn(C)c(=O)c1)[*:1]
COC(=O)c1sccc1S(=O)(=O)N1CC[C@H](c2ccccc2)C1 COC(=O)[*:1] O=S(=O)(c1ccsc1[*:1])N1CC[C@@H](C1)c1ccccc1
COC(=O)c1sccc1S(=O)(=O)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)c1sccc1S(=O)(=O)N1CC[C@H](C1)[*:1]
FC(F)(F)CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 FC(F)(F)C[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCCC[C@H]1[NH2+]C[*:1]
FC(F)(F)CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 FC(F)(F)CC[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCCC[C@H]1[NH2+][*:1]
FC(F)(F)CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 FC(F)(F)[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCCC[C@H]1[NH2+]CC[*:1]
C[C@@H](c1ccncc1)[C@@H]([NH3+])c1cc2c(s1)CCCC2 c1cc(ccn1)[*:1] C[C@@H]([C@@H]([NH3+])c1cc2CCCCc2s1)[*:1]
CC[C@@H](O)CNC(=O)c1cc2ccccc2oc1=O CC[C@@H](O)C[*:1] O=C(N[*:1])c1cc2ccccc2oc1=O
CC[C@@H](O)CNC(=O)c1cc2ccccc2oc1=O CC[C@@H](O)[*:1] O=C(NC[*:1])c1cc2ccccc2oc1=O
CCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1 c1ccc2[nH]c(cc2c1)[*:1] CCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(c1)[*:1]
COc1ccccc1C(=O)/C(C#N)=C\c1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] COc1ccccc1C(=O)/C(C#N)=C\c1cnc(s1)[*:1]
COc1ccccc1C(=O)/C(C#N)=C\c1cnc(-c2ccccn2)s1 COc1ccccc1[*:1] N#C/C(=C/c1cnc(s1)-c1ccccn1)C(=O)[*:1]
COc1cc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)ccc1OC(F)F c1ccc(cc1)[*:1] COc1cc(ccc1OC(F)F)C(=O)N1CCCN(C[*:1])c2ccccc21
COc1cc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)N1CCCN(Cc2ccccc2)c2ccccc21
COc1cc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)ccc1OC(F)F c1ccc(cc1)C[*:1] COc1cc(ccc1OC(F)F)C(=O)N1CCCN(c2ccccc21)[*:1]
COc1cc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)N1CCCN(Cc2ccccc2)c2ccccc21
Cc1ccc(CC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1O Cc1ccc(cc1O)[*:1] Cn1cc(cn1)N1CC[C@@H](NC(=O)C[*:1])C1=O
Cc1ccc(CC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1O Cn1cc(cn1)[*:1] Cc1ccc(cc1O)CC(=O)N[C@@H]1CCN(C1=O)[*:1]
C[NH+](C)C1(CNC(=O)/C(C#N)=C/c2ccco2)CCCC1 c1coc(c1)[*:1] C[NH+](C)C1(CCCC1)CNC(=O)C(C#N)=C[*:1]
COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1S(=O)(=O)NC1CCCC1 C1CCC(C1)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1S(=O)(=O)NC1CCCC1 O=S(=O)(NC1CCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
Cc1cccc(C[S@](=O)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)C[S@@](=O)C[*:1])c1ccc2ccccc2c1
Cc1cccc(C[S@](=O)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 Cc1cccc(c1)C[*:1] C[C@H](NC(=O)C[S@@](=O)[*:1])c1ccc2ccccc2c1
CCN(CC(C)(C)O)C(=O)c1ccc(OC)c(F)c1 CC(C)(O)C[*:1] CCN(C(=O)c1ccc(OC)c(F)c1)[*:1]
CCN(CC(C)(C)O)C(=O)c1ccc(OC)c(F)c1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)c1ccc(OC)c(F)c1
COC(=O)c1sccc1NC(=O)C1(NC=O)C2CC3CC(C2)CC1C3 O=CN[*:1] COC(=O)c1sccc1NC(=O)C1(C2CC3CC(C2)CC1C3)[*:1]
COC(=O)c1sccc1NC(=O)C1(NC=O)C2CC3CC(C2)CC1C3 COC(=O)[*:1] O=CNC1(C(=O)Nc2ccsc2[*:1])C2CC3CC(C2)CC1C3
CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1csnn1 c1snnc1[*:1] CN(CC1CC[NH+](CCc2cccc(c2)C(F)(F)F)CC1)C(=O)[*:1]
CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1csnn1 CN(C(=O)c1csnn1)[*:1] FC(F)(F)c1cccc(c1)CC[NH+]1CCC(CC1)C[*:1]
CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1csnn1 FC(F)(F)[*:1] CN(CC1CC[NH+](CCc2cccc(c2)[*:1])CC1)C(=O)c1csnn1
O=C(c1nc([O-])c2ccccc2n1)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(c1nc([O-])c2ccccc2n1)N1CCN(CC1)[*:1]
CC[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 Clc1cccc(c1)[*:1] CC[C@@H](C(=O)N1CCN(CC1)[*:1])c1ccccc1
CC[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
C/C=C(/C)C(=O)NCc1cc(Br)ccc1OC(F)F CC=C(C)[*:1] O=C(NCc1cc(Br)ccc1OC(F)F)[*:1]
C/C=C(/C)C(=O)NCc1cc(Br)ccc1OC(F)F FC(F)[*:1] C/C=C(/C)C(=O)NCc1cc(Br)ccc1O[*:1]
C/C=C(/C)C(=O)NCc1cc(Br)ccc1OC(F)F FC(F)O[*:1] C/C=C(/C)C(=O)NCc1cc(Br)ccc1[*:1]
O=C(NCC1CCN(c2nsc3ccccc23)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCC1CCN(CC1)c1nsc2ccccc12)c1ccc(Cl)c(c1)[*:1]
O=C(NCC1CCN(c2nsc3ccccc23)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 c1ccc2c(nsc2c1)[*:1] O=C(NCC1CCN(CC1)[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
CCN(Cc1cc(=O)c(O)co1)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] CCN(Cc1cc(=O)c(O)co1)C[*:1]
CC(C)[C@@H](Cc1nccs1)[C@@H](C)Br CC(C)[*:1] C[C@@H](Br)[C@H](Cc1nccs1)[*:1]
CC(C)[C@@H](Cc1nccs1)[C@@H](C)Br C[C@@H](Br)[*:1] CC(C)[C@@H](Cc1nccs1)[*:1]
CCOc1ccc(C2=CCN(C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC2)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC2)cc1 CCOc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCC[C@H](C1)C(=O)N1CC=C(CC1)[*:1]
CCOc1ccc(C2=CCN(C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC2)cc1 CCO[*:1] CC(C)(C)C(=O)N1CCC[C@H](C1)C(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC(=O)c2cccnc2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cccnc1
CNC(=O)Cc1ccc(NC(=O)c2cccnc2)cc1 c1cncc(c1)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CNC(=O)Cc1ccc(NC(=O)c2cccnc2)cc1 CNC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccnc1
Cc1ccc(CC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)CC(=O)N1CCC[NH+](CC1)C[*:1]
Cc1ccc(CC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)CC(=O)N1CCC[NH+](CC1)[*:1]
Cc1ccc(CC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(N1CCC[NH+](CC1)Cc1ccc(F)cc1)[*:1]
Cc1ccc(CC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC[NH+](CC1)Cc1ccc(F)cc1
O=C(c1occc1Br)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(c1occc1Br)N1CCOC[C@H]1[*:1]
O=C(c1cn[nH]n1)N1CCC(n2cccn2)CC1 c1cnn(c1)[*:1] O=C(c1cn[nH]n1)N1CCC(CC1)[*:1]
O=C(c1cn[nH]n1)N1CCC(n2cccn2)CC1 c1n[nH]nc1[*:1] O=C(N1CCC(CC1)n1cccn1)[*:1]
C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1cnc(n1)-c1cccc(c1)[*:1]
CC(=O)N1CCSc2ccc(S(=O)(=O)Nc3ccccc3F)cc21 Fc1ccccc1[*:1] CC(=O)N1CCSc2ccc(cc21)S(=O)(=O)N[*:1]
O=C(NC[C@H]1CCCN(C(=O)C[C@H](O)c2ccccc2)C1)c1ccccc1 O[C@@H](C[*:1])c1ccccc1 O=C(NC[C@H]1CCCN(C1)C(=O)[*:1])c1ccccc1
O=C(NC[C@H]1CCCN(C(=O)C[C@H](O)c2ccccc2)C1)c1ccccc1 O[C@H](c1ccccc1)[*:1] O=C(NC[C@H]1CCCN(C1)C(=O)C[*:1])c1ccccc1
O=C(NC[C@H]1CCCN(C(=O)C[C@H](O)c2ccccc2)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCN(C1)C(=O)C[C@H](O)[*:1])c1ccccc1
O=C(NC[C@H]1CCCN(C(=O)C[C@H](O)c2ccccc2)C1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(C[C@H](O)c1ccccc1)N1CCC[C@@H](C1)C[*:1]
O=C(NC[C@H]1CCCN(C(=O)C[C@H](O)c2ccccc2)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H](O)c1ccccc1)N1CCC[C@H](CNC(=O)[*:1])C1
Cc1oc(-c2ccco2)nc1CC(=O)NC[C@@](C)(O)CN1CCOCC1 C1CN(CCO1)C[*:1] Cc1oc(nc1CC(=O)NC[C@@](C)(O)[*:1])-c1ccco1
Cc1oc(-c2ccco2)nc1CC(=O)NC[C@@](C)(O)CN1CCOCC1 C1CN(CCO1)[*:1] Cc1oc(nc1CC(=O)NC[C@@](C)(O)C[*:1])-c1ccco1
Cc1oc(-c2ccco2)nc1CC(=O)NC[C@@](C)(O)CN1CCOCC1 c1coc(c1)[*:1] Cc1oc(nc1CC(=O)NC[C@@](C)(O)CN1CCOCC1)[*:1]
CCC(=O)O[C@H](C)c1ccccc1N(C)C CCC(=O)O[*:1] C[C@H](c1ccccc1N(C)C)[*:1]
CCC(=O)O[C@H](C)c1ccccc1N(C)C CN(C)[*:1] CCC(=O)O[C@H](C)c1ccccc1[*:1]
Cc1ccc(NC(=O)N/C=C\c2ccco2)c(C)c1 c1coc(c1)[*:1] Cc1ccc(NC(=O)NC=C[*:1])c(C)c1
COc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3C)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1C(=O)Nc1cccc(c1)[C@H]1SCC(=O)N1[*:1]
COc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3C)c2)cc1 Cc1ccccc1C(=O)N[*:1] COc1ccc(cc1)N1C(=O)CS[C@@H]1c1cccc(c1)[*:1]
COc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3C)c2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)N1C(=O)CS[C@@H]1c1cccc(c1)NC(=O)[*:1]
Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ncnc(N3CCCC[C@@H]3C)c12 Fc1ccccc1[*:1] Cc1c(sc2ncnc(c12)N1CCCC[C@@H]1C)C(=O)N1CCN(CC1)[*:1]
O=C(C(=O)N1CCCC1)c1cn(Cc2ccccc2Cl)c2ccccc12 Clc1ccccc1[*:1] O=C(C(=O)N1CCCC1)c1cn(C[*:1])c2ccccc12
O=C(C(=O)N1CCCC1)c1cn(Cc2ccccc2Cl)c2ccccc12 Clc1ccccc1C[*:1] O=C(C(=O)N1CCCC1)c1cn(c2ccccc12)[*:1]
CC[C@H](C)C(=O)[C@@H](C)c1ccncc1 CC[C@H](C)[*:1] C[C@H](C(=O)[*:1])c1ccncc1
COc1ccccc1-c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 COc1ccccc1[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
COc1ccccc1-c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 O=S(=O)(N1CCCC1)[*:1] COc1ccccc1-c1csc(n1)NC(=O)c1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)N(C[C@H]2C[C@@H]2C)C(C)C)s1 CNS(=O)(=O)[*:1] CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NCc1ccc(s1)[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)N(C[C@H]2C[C@@H]2C)C(C)C)s1 CC(C)[*:1] CNS(=O)(=O)c1ccc(CNC(=O)N(C[C@H]2C[C@@H]2C)[*:1])s1
CNC(=O)c1ccc(NC(=O)c2n[nH]c(C3CC3)n2)cc1 C1CC1[*:1] CNC(=O)c1ccc(cc1)NC(=O)c1n[nH]c(n1)[*:1]
CNC(=O)c1ccc(NC(=O)c2n[nH]c(C3CC3)n2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1n[nH]c(n1)C1CC1
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3ncsc3c2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3ncsc3c2)c(C)c1[*:1]
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3ncsc3c2)c1C c1nc2ccc(cc2s1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[*:1])c1C
CC1CC[NH+](CCNCc2cccs2)CC1 c1csc(c1)[*:1] CC1CC[NH+](CCNC[*:1])CC1
O=C(Cc1ccccc1)NCc1nc(-c2ccc(Oc3ccccc3)cc2)no1 c1ccc(cc1)C[*:1] O=C(NCc1nc(no1)-c1ccc(cc1)Oc1ccccc1)[*:1]
O=C(Cc1ccccc1)NCc1nc(-c2ccc(Oc3ccccc3)cc2)no1 c1ccc(cc1)[*:1] O=C(C[*:1])NCc1nc(no1)-c1ccc(cc1)Oc1ccccc1
O=C(Cc1ccccc1)NCc1nc(-c2ccc(Oc3ccccc3)cc2)no1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1)NCc1nc(no1)-c1ccc(cc1)O[*:1]
O=C(Cc1ccccc1)NCc1nc(-c2ccc(Oc3ccccc3)cc2)no1 c1ccc(cc1)O[*:1] O=C(Cc1ccccc1)NCc1nc(no1)-c1ccc(cc1)[*:1]
OCCCc1nc(-c2cnccn2)no1 OCCC[*:1] c1cnc(cn1)-c1noc(n1)[*:1]
OCCCc1nc(-c2cnccn2)no1 OCC[*:1] c1cnc(cn1)-c1noc(C[*:1])n1
CCCCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O CCCCNC(=O)C[*:1] O=c1c2ccccc2c(Cc2cccnc2)nn1[*:1]
CCCCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O CCCC[*:1] O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)N[*:1]
CCCCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O CCCCNC(=O)[*:1] O=c1c2ccccc2c(Cc2cccnc2)nn1C[*:1]
CCCCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O c1cncc(c1)[*:1] CCCCNC(=O)Cn1nc(C[*:1])c2ccccc2c1=O
CCCCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O CCC[*:1] O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NC[*:1]
CCCCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O c1cncc(c1)C[*:1] CCCCNC(=O)Cn1nc(c2ccccc2c1=O)[*:1]
C[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 Fc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)N1CCC[C@H]1c1ncc2C[NH2+]CCc2n1
C[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 Fc1ccccc1O[*:1] C[C@@H](C(=O)N1CCC[C@H]1c1ncc2C[NH2+]CCc2n1)[*:1]
COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 COc1ccc(cc1)[*:1] N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1[*:1]
COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)N1C(=O)[C@H](Cc2ccc(Cl)cc2)S/C1=C(\C#N)C(=O)NC[*:1]
COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)[C@H](C[*:1])S/C1=C(\C#N)C(=O)NCc1ccco1
COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] COc1ccc(cc1)N1C(=O)[C@H](Cc2ccc(Cl)cc2)SC1=C(C#N)[*:1]
COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)N1C(=O)[C@H](S/C1=C(\C#N)C(=O)NCc1ccco1)[*:1]
COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)N1C(=O)[C@H](Cc2ccc(Cl)cc2)S/C1=C(\C#N)C(=O)N[*:1]
Cc1sc2nc([C@@H](C)N3CCO[C@H](c4ccccc4F)C3)[nH]c(=O)c2c1C Fc1ccccc1[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@@H](C)N1CCO[C@H](C1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc2c(c1)CCC2 Cc1noc(C)c1[*:1] C[C@H](NC(=O)Nc1ccc2CCCc2c1)[*:1]
CC1(C)CN(C(=O)Nc2ccccc2Cn2cccn2)CC[S@]1=O c1cnn(c1)[*:1] CC1(C)CN(CC[S@]1=O)C(=O)Nc1ccccc1C[*:1]
CC1(C)CN(C(=O)Nc2ccccc2Cn2cccn2)CC[S@]1=O c1cnn(c1)C[*:1] CC1(C)CN(CC[S@]1=O)C(=O)Nc1ccccc1[*:1]
CCCOc1ccccc1C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 CCCO[*:1] O=C(c1ccccc1[*:1])N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1
CCCOc1ccccc1C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] CCCOc1ccccc1C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCOc1ccccc1C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(c1ccccc1O[*:1])N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1
CCCOc1ccccc1C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)C[*:1] CCCOc1ccccc1C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 c1cncc(c1)C[*:1] O=C(c1cc2ccccc2o1)N1CCN(CC1)c1ccc(c(c1)N[*:1])[N+](=O)[O-]
O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 c1ccc2oc(cc2c1)[*:1] O=C(N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)[N+](=O)[O-])[*:1]
O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 c1cncc(c1)CN[*:1] O=C(c1cc2ccccc2o1)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 c1cncc(c1)[*:1] O=C(c1cc2ccccc2o1)N1CCN(CC1)c1ccc(c(c1)NC[*:1])[N+](=O)[O-]
O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 O=[N+]([O-])[*:1] O=C(c1cc2ccccc2o1)N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)[*:1]
Cn1ncc(N2CC[C@H](CNC(=O)c3cccc4c3OCC4)C2)cc1=O Cn1ncc(cc1=O)[*:1] O=C(NC[C@H]1CCN(C1)[*:1])c1cccc2CCOc21
O=C1/C(=C/c2cccc(Cl)c2)Oc2c1ccc1c2CN([C@@H]2CCS(=O)(=O)C2)CO1 Clc1cccc(c1)[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(Cc12)[C@@H]1CCS(=O)(=O)C1
CCC[NH2+][C@H]1c2c(Cl)cc(Cl)cc2C[C@H]1C CCC[*:1] C[C@@H]1Cc2cc(Cl)cc(Cl)c2[C@@H]1[NH2+][*:1]
CCC[C@@H](CC(=O)OC)NC(=O)c1ccon1 COC(=O)C[*:1] CCC[C@@H](NC(=O)c1ccon1)[*:1]
CCC[C@@H](CC(=O)OC)NC(=O)c1ccon1 CCC[*:1] COC(=O)C[C@@H](NC(=O)c1ccon1)[*:1]
CCC[C@@H](CC(=O)OC)NC(=O)c1ccon1 COC(=O)[*:1] CCC[C@@H](C[*:1])NC(=O)c1ccon1
CCC[C@@H](CC(=O)OC)NC(=O)c1ccon1 c1cc(no1)[*:1] CCC[C@@H](CC(=O)OC)NC(=O)[*:1]
Cc1ccc(NC(=O)CCCC(=O)c2cccs2)c(C)c1 c1csc(c1)[*:1] Cc1ccc(NC(=O)CCCC(=O)[*:1])c(C)c1
Cc1ccc(NC(=O)CCCC(=O)c2cccs2)c(C)c1 O=C(c1cccs1)[*:1] Cc1ccc(NC(=O)CCC[*:1])c(C)c1
C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)[C@H](C)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)[C@H](C)c1nc(no1)[*:1]
C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)[C@H](C)c1nc(C(C)(C)C)no1 Clc1ccc(cc1)[*:1] C[C@@H](S(=O)(=O)[C@H](C)c1nc(no1)C(C)(C)C)[*:1]
CC1(C)CN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC[S@@]1=O c1ccc(cc1)[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)C1CCC(=O)N(C[*:1])N=1
CC1(C)CN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC[S@@]1=O c1ccc(cc1)C[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)C1CCC(=O)N(N=1)[*:1]
CCO[C@H]1C[C@H]1C(=O)Nc1cccc(C)c1Cl CCO[*:1] Cc1cccc(NC(=O)[C@@H]2C[C@@H]2[*:1])c1Cl
COc1ccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1Cl COc1ccc(cc1Cl)[*:1] Cn1cc(C(=O)N[*:1])c(n1)-c1ccc2OCCCOc2c1
Cc1ccc(C(=O)N/N=C/C=C/c2ccco2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)C(=O)N/N=C/C=C[*:1]
CC(C)CNc1nc([C@@H]2CN(C(C)C)CCO2)ns1 CC(C)[*:1] CC(C)N1CCO[C@@H](C1)c1nsc(n1)NC[*:1]
CC(C)CNc1nc([C@@H]2CN(C(C)C)CCO2)ns1 CC(C)CN[*:1] CC(C)N1CCO[C@@H](C1)c1nsc(n1)[*:1]
CC(C)CNc1nc([C@@H]2CN(C(C)C)CCO2)ns1 CC(C)[*:1] CC(C)CNc1nc(ns1)[C@@H]1CN(CCO1)[*:1]
CC(C)CNc1nc([C@@H]2CN(C(C)C)CCO2)ns1 CC(C)C[*:1] CC(C)N1CCO[C@@H](C1)c1nsc(n1)N[*:1]
N#C[C@@H]1C(SCC(=O)OCc2ccccc2)=NC(=O)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1C(=NC(=O)C[C@@H]1c1ccccc1)SCC(=O)OC[*:1]
N#C[C@@H]1C(SCC(=O)OCc2ccccc2)=NC(=O)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1C(=NC(=O)C[C@H]1[*:1])SCC(=O)OCc1ccccc1
N#C[C@@H]1C(SCC(=O)OCc2ccccc2)=NC(=O)C[C@@H]1c1ccccc1 c1ccc(cc1)C[*:1] N#C[C@@H]1C(=NC(=O)C[C@@H]1c1ccccc1)SCC(=O)O[*:1]
COc1ccccc1-c1ocnc1C(=O)N1CCC[C@H]1c1cc2nc(C)cc(O)n2n1 COc1ccccc1[*:1] Cc1cc(O)n2nc(cc2n1)[C@@H]1CCCN1C(=O)c1ncoc1[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)Nc3cccc(F)c3)nc3ccccc32)C1 O=C(Nc1cccc(F)c1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)Cn1c(nc2ccccc21)SC[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)Nc3cccc(F)c3)nc3ccccc32)C1 Fc1cccc(c1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)Cn1c(nc2ccccc21)SCC(=O)N[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1cc[nH]c1 c1cc(c[nH]1)[*:1] CC(C)(C)[NH+](CC(N)=O)C[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1cc[nH]c1 NC(=O)[*:1] CC(C)(C)[NH+](Cc1cc[nH]c1)C[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1cc[nH]c1 NC(=O)C[*:1] CC(C)(C)[NH+](Cc1cc[nH]c1)[*:1]
CC(C)(C)[NH+](CC(N)=O)Cc1cc[nH]c1 CC(C)(C)[*:1] NC(=O)C[NH+](Cc1cc[nH]c1)[*:1]
C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc(c2)[*:1])o1
C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)o1 c1coc(c1)[*:1] C[C@@H]1C[C@H]1c1ccc(CN(C[*:1])C(=O)c2cccc(c2)[N+](=O)[O-])o1
C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)o1 c1coc(c1)C[*:1] C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc(c2)[N+](=O)[O-])[*:1])o1
C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccco2)C(=O)[*:1])o1
Clc1cc(I)c(OCc2nc(-c3ccco3)no2)c2ncccc12 c1coc(c1)[*:1] Clc1cc(I)c(OCc2nc(no2)[*:1])c2ncccc12
CCOc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1 CCO[*:1] Cc1cc(ccc1Br)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(F)c(C(=O)N(C)C2(C#N)CCC2)c1 CC(=O)N[*:1] CN(C(=O)c1cc(ccc1F)[*:1])C1(C#N)CCC1
CC(=O)Nc1ccc(F)c(C(=O)N(C)C2(C#N)CCC2)c1 N#CC1(CCC1)[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)N(C)[*:1]
COCCCC(=O)Nc1cc(/C(N)=N/O)ccc1C N/C(=N\O)[*:1] COCCCC(=O)Nc1cc(ccc1C)[*:1]
COCCCC(=O)Nc1cc(/C(N)=N/O)ccc1C COCC[*:1] Cc1ccc(cc1NC(=O)C[*:1])/C(N)=N/O
COCCCC(=O)Nc1cc(/C(N)=N/O)ccc1C COC[*:1] Cc1ccc(cc1NC(=O)CC[*:1])/C(N)=N/O
COCCCC(=O)Nc1cc(/C(N)=N/O)ccc1C COCCC[*:1] Cc1ccc(cc1NC(=O)[*:1])/C(N)=N/O
COc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NCc1ccc(o1)[*:1]
COc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccc(o1)-c1ccc(Br)cc1)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+]4CCOCC4)[C@H]3c3ccncc3)ccc2O1 C[C@H]1Cc2cc(ccc2O1)[*:1] O=C1C(O)=C(C(=O)[*:1])[C@H](c2ccncc2)N1CC[NH+]1CCOCC1
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+]4CCOCC4)[C@H]3c3ccncc3)ccc2O1 c1cc(ccn1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@@H]1[*:1]
CC(C)C[C@H]1CNc2cc(F)ccc2NC1=O CC(C)C[*:1] O=C1Nc2ccc(F)cc2NC[C@@H]1[*:1]
CC(C)C[C@H]1CNc2cc(F)ccc2NC1=O CC(C)[*:1] O=C1Nc2ccc(F)cc2NC[C@@H]1C[*:1]
O=C(c1cc(Br)ccc1F)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] O=C(c1cc(Br)ccc1F)N1CCN(CC1)[*:1]
CN(C(=O)CSc1nncs1)c1ccc(Br)cn1 c1nnc(s1)[*:1] CN(C(=O)CS[*:1])c1ccc(Br)cn1
CN(C(=O)CSc1nncs1)c1ccc(Br)cn1 c1nnc(S[*:1])s1 CN(C(=O)C[*:1])c1ccc(Br)cn1
Cc1ncccc1NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 c1ccc(cc1)[*:1] Cc1ncccc1NC(=O)N1CC[C@@H]([C@@H](C)C1)[*:1]
Cc1ncccc1NC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 Cc1ncccc1[*:1] C[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)N[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCc3c(F)cccc32)C1 CCNS(=O)(=O)[*:1] O=C(N[C@H]1CCc2c(F)cccc21)N1CC[C@@H](C1)[*:1]
Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N[*:1]
Cc1nnc(Sc2ccnc3cc(C(F)(F)F)ccc23)s1 Cc1nnc(s1)[*:1] FC(F)(F)c1ccc2c(ccnc2c1)S[*:1]
Cc1nnc(Sc2ccnc3cc(C(F)(F)F)ccc23)s1 FC(F)(F)[*:1] Cc1nnc(Sc2ccnc3cc(ccc23)[*:1])s1
Cc1nnc(Sc2ccnc3cc(C(F)(F)F)ccc23)s1 Cc1nnc(S[*:1])s1 FC(F)(F)c1ccc2c(ccnc2c1)[*:1]
C=CCSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] C=CCSc1nc2ccc(I)cc2c(=O)n1[*:1]
C=CCSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1 C=CCS[*:1] O=c1c2cc(I)ccc2nc(n1-c1ccccc1)[*:1]
C=CCSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1 C=CC[*:1] O=c1c2cc(I)ccc2nc(S[*:1])n1-c1ccccc1
COCC[C@H](C)N1C(=O)[C@H]2CCCCN2C(=O)[C@H]1C COCC[*:1] C[C@H](N1C(=O)[C@H]2CCCCN2C(=O)[C@H]1C)[*:1]
COCC[C@H](C)N1C(=O)[C@H]2CCCCN2C(=O)[C@H]1C COCC[C@H](C)[*:1] C[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1[*:1]
COCC[C@H](C)N1C(=O)[C@H]2CCCCN2C(=O)[C@H]1C COC[*:1] C[C@@H](C[*:1])N1C(=O)[C@H]2CCCCN2C(=O)[C@H]1C
COc1ccc(CCC(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1Cl O=C([O-])[*:1] COc1ccc(cc1Cl)CCC(=O)N[C@@H]([C@H](C)O)[*:1]
COc1ccc(CCC(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1Cl C[C@H](O)[*:1] COc1ccc(cc1Cl)CCC(=O)N[C@@H](C(=O)[O-])[*:1]
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c(O)c1 CC(C)(C)OC(=O)N[*:1] O=C(c1ccc(cc1O)[*:1])N1CCC[C@@H]2CCC[C@@H]21
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c(O)c1 CC(C)(C)[*:1] O=C(Nc1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c(O)c1)O[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc1 CC[C@@H](C)O[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc1 C[C@@H](C#N)C[*:1] CC[C@@H](C)Oc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc1 C[C@@H](C#N)[*:1] CC[C@@H](C)Oc1ccc(cc1)NC(=O)C(=O)NC[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc1 CC[C@@H](C)[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)O[*:1]
COc1ccccc1Oc1ccc(NC(=O)c2csnn2)cc1 c1snnc1[*:1] COc1ccccc1Oc1ccc(cc1)NC(=O)[*:1]
Cc1nc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)cn1C O=C([O-])[*:1] Cc1nc(cn1C)S(=O)(=O)N[C@H]1C=C[C@H](C1)[*:1]
C[C@@H](c1cccnc1)[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 c1cncc(c1)[*:1] C[C@@H]([NH+]1CCN(CC1)[C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
C[C@@H](c1cccnc1)[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 CC(C)(C)[*:1] C[C@@H](c1cccnc1)[NH+]1CCN(CC1)[C@@H]1CCN(C1)C(=O)O[*:1]
C[C@@H](c1cccnc1)[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 C[C@@H](c1cccnc1)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)N1CC[NH+](CC1)[*:1]
CCN(CC)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCN(CC)C(=O)c1csc(n1)NC(=O)[*:1]
CCN(CC)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2)n1 CCN(CC)C(=O)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(Cl)cc1
Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)cc1 c1cn(cn1)[*:1] Cc1ccc(cc1)NC(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1ccnc1
Cc1cc(OCC(=O)Nc2ccccn2)ccc1Cl c1ccc(nc1)[*:1] Cc1cc(ccc1Cl)OCC(=O)N[*:1]
CC[C@@](C)([NH3+])C(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 CC[C@@](C)([NH3+])[*:1] O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)[*:1]
Cc1[nH]c2ccccc2c1C(=O)CSc1n[nH]c(=O)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1[nH]c2ccccc2c1C(=O)CSc1n[nH]c(=O)n1[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)OCCCO2 CC(C)[*:1] [NH3+]C[C@H](C[*:1])C(=O)Nc1ccc2OCCCOc2c1
CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)OCCCO2 CC(C)C[*:1] [NH3+]C[C@@H](C(=O)Nc1ccc2OCCCOc2c1)[*:1]
COc1ccc2ncc(C(=O)[O-])c(Nc3ccccc3C)c2c1 Cc1ccccc1[*:1] COc1ccc2ncc(C(=O)[O-])c(N[*:1])c2c1
COc1ccc2ncc(C(=O)[O-])c(Nc3ccccc3C)c2c1 O=C([O-])[*:1] COc1ccc2ncc(c(Nc3ccccc3C)c2c1)[*:1]
CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(C)c(c1)[*:1]
CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@@H](C)NC(=O)C[*:1]
CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 CNS(=O)(=O)C[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@@H](C)NC(=O)[*:1]
N#Cc1c(NC(=O)COc2ccccc2)oc(-c2ccco2)c1-c1ccco1 c1ccc(cc1)OC[*:1] N#Cc1c(NC(=O)[*:1])oc(-c2ccco2)c1-c1ccco1
N#Cc1c(NC(=O)COc2ccccc2)oc(-c2ccco2)c1-c1ccco1 c1ccc(cc1)O[*:1] N#Cc1c(NC(=O)C[*:1])oc(-c2ccco2)c1-c1ccco1
N#Cc1c(NC(=O)COc2ccccc2)oc(-c2ccco2)c1-c1ccco1 c1coc(c1)[*:1] N#Cc1c(NC(=O)COc2ccccc2)oc(-c2ccco2)c1[*:1]
N#Cc1c(NC(=O)COc2ccccc2)oc(-c2ccco2)c1-c1ccco1 c1ccc(cc1)[*:1] N#Cc1c(NC(=O)CO[*:1])oc(-c2ccco2)c1-c1ccco1
N#Cc1c(NC(=O)COc2ccccc2)oc(-c2ccco2)c1-c1ccco1 c1coc(c1)[*:1] N#Cc1c(NC(=O)COc2ccccc2)oc(c1-c1ccco1)[*:1]
COc1cc(C(=O)Nc2ncccc2C)c([N+](=O)[O-])cc1OC Cc1cccnc1[*:1] COc1cc(C(=O)N[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)Nc2ncccc2C)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)Nc2ncccc2C)c(cc1OC)[*:1]
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc[n+]([O-])c2)cc1 CCO[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)NNC(=O)c1ccc[n+]([O-])c1
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc[n+]([O-])c2)cc1 [O-][n+]1cccc(c1)[*:1] CCOc1ccc(cc1)O[C@H](C)C(=O)NNC(=O)[*:1]
O=C(OCCn1nc2ccccn2c1=O)[C@H]1C[C@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(OCCn1nc2ccccn2c1=O)[C@H]1C[C@@H]1[*:1]
CC[C@@H](C)CS(=O)(=O)c1nnc2c(Cl)cc(C(F)(F)F)cn12 FC(F)(F)[*:1] CC[C@@H](C)CS(=O)(=O)c1nnc2c(Cl)cc(cn12)[*:1]
CC[C@@H](C)CS(=O)(=O)c1nnc2c(Cl)cc(C(F)(F)F)cn12 CC[C@@H](C)[*:1] O=S(=O)(C[*:1])c1nnc2c(Cl)cc(cn12)C(F)(F)F
CCOC(=O)NC[C@@](C)(O)CSc1ccccc1 CCOC(=O)N[*:1] C[C@](O)(CSc1ccccc1)C[*:1]
CCOC(=O)NC[C@@](C)(O)CSc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)NC[C@@](C)(O)CS[*:1]
CS(=O)(=O)NCCNC(=O)[C@H]1CC=CCC1 CS(=O)(=O)N[*:1] O=C(NCC[*:1])[C@H]1CC=CCC1
Cc1noc(C)c1CC(=O)Nc1ccc2c(C)n[nH]c2c1 Cc1noc(C)c1[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)C[*:1]
COc1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1 Brc1ccc(cc1)O[*:1] COc1ccc(cc1)CN(C(=O)C[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1 Brc1ccc(cc1)OC[*:1] COc1ccc(cc1)CN(C(=O)[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)C[*:1] O=C(COc1ccc(Br)cc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)CN(C(=O)CO[*:1])[C@H]1CCS(=O)(=O)C1
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1cc(cc(c1)[*:1])C(F)(F)F
O=C(c1n[nH]c2ccccc12)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1n[nH]c2ccccc12)N1CCn2c(C1)nnc2[*:1]
Cc1nc2ccc(N(C)C(=O)[C@H](C)Oc3cccc(F)c3)cc2s1 Fc1cccc(c1)O[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)[C@H](C)[*:1]
Cc1nc2ccc(N(C)C(=O)[C@H](C)Oc3cccc(F)c3)cc2s1 Fc1cccc(c1)[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)[C@H](C)O[*:1]
CCNC(=O)CN1CCN(CCOc2ccc(F)cc2Cl)CC1 CCNC(=O)[*:1] Fc1ccc(OCCN2CCN(CC2)C[*:1])c(Cl)c1
CCNC(=O)CN1CCN(CCOc2ccc(F)cc2Cl)CC1 CCNC(=O)C[*:1] Fc1ccc(OCCN2CCN(CC2)[*:1])c(Cl)c1
O=C(NCc1ccccc1OC1CCCCC1)c1cnc2ccsc2c1 C1CCC(CC1)[*:1] O=C(NCc1ccccc1O[*:1])c1cnc2ccsc2c1
O=C(NCc1ccccc1OC1CCCCC1)c1cnc2ccsc2c1 C1CCC(CC1)O[*:1] O=C(NCc1ccccc1[*:1])c1cnc2ccsc2c1
CCc1cc2c(SCC(=O)NCc3ccc(C)cc3)ncnc2s1 Cc1ccc(cc1)C[*:1] CCc1cc2c(ncnc2s1)SCC(=O)N[*:1]
CCc1cc2c(SCC(=O)NCc3ccc(C)cc3)ncnc2s1 Cc1ccc(cc1)[*:1] CCc1cc2c(ncnc2s1)SCC(=O)NC[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)ccc1F CC(C)NS(=O)(=O)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)c1ccc(F)c(c1)[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)ccc1F CC(C)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)c1ccc(F)c(c1)S(=O)(=O)N[*:1]
CC(C)Cn1c(CCl)nc2cc(Cl)c(Cl)cc21 CC(C)[*:1] ClCc1nc2cc(Cl)c(Cl)cc2n1C[*:1]
CC(C)Cn1c(CCl)nc2cc(Cl)c(Cl)cc21 CC(C)C[*:1] ClCc1nc2cc(Cl)c(Cl)cc2n1[*:1]
Cc1cc(C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1-c1nccs1 c1csc(n1)[*:1] Cc1cc(C(=O)Cn2cnc(n2)-c2ccc(cc2)[N+](=O)[O-])c(C)n1[*:1]
Cc1cc(C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1-c1nccs1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(C(=O)Cn2cnc(n2)[*:1])c(C)n1-c1nccs1
Cc1cc(C(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1-c1nccs1 O=[N+]([O-])[*:1] Cc1cc(C(=O)Cn2cnc(n2)-c2ccc(cc2)[*:1])c(C)n1-c1nccs1
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccc(cc1)C[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccc(cc1)[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccc(Cn2cccn2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)Cn1cccn1)N[C@@H]1CCCCC[C@H]1[*:1]
Cc1csc(CNC(=O)c2ccccc2SCc2csc(C)n2)n1 Cc1nc(cs1)C[*:1] Cc1csc(CNC(=O)c2ccccc2S[*:1])n1
Cc1csc(CNC(=O)c2ccccc2SCc2csc(C)n2)n1 Cc1nc(cs1)[*:1] Cc1csc(CNC(=O)c2ccccc2SC[*:1])n1
Cc1csc(CNC(=O)c2ccccc2SCc2csc(C)n2)n1 Cc1csc(n1)[*:1] Cc1nc(cs1)CSc1ccccc1C(=O)NC[*:1]
Cc1csc(CNC(=O)c2ccccc2SCc2csc(C)n2)n1 Cc1csc(C[*:1])n1 Cc1nc(cs1)CSc1ccccc1C(=O)N[*:1]
Cc1csc(CNC(=O)c2ccccc2SCc2csc(C)n2)n1 Cc1nc(cs1)CS[*:1] Cc1csc(CNC(=O)c2ccccc2[*:1])n1
CCOC(=O)C1(C)CCN(C(=O)N[C@H](C)c2ccc(C)o2)CC1 CCOC(=O)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)N[C@H](C)c2ccc(C)o2)CC1 Cc1ccc(o1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)N[C@H](C)[*:1]
CCOC(=O)c1cnc(-n2cc(C)cn2)nc1N1C[C@H](C)O[C@H](C)C1 CCOC(=O)[*:1] Cc1cnn(c1)-c1ncc(c(n1)N1C[C@H](C)O[C@H](C)C1)[*:1]
CCOC(=O)c1cnc(-n2cc(C)cn2)nc1N1C[C@H](C)O[C@H](C)C1 Cc1cnn(c1)[*:1] CCOC(=O)c1cnc(nc1N1C[C@H](C)O[C@H](C)C1)[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc3c(s2)CCOC3)c1 Cc1cnn(c1)[*:1] O=C(c1cc2COCCc2s1)N1CCC[C@H]1C[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc3c(s2)CCOC3)c1 Cc1cnn(c1)C[*:1] O=C(c1cc2COCCc2s1)N1CCC[C@H]1[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1Cc1cccnc1 c1cncc(c1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1C[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1Cc1cccnc1 c1cncc(c1)C[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1[*:1]
Cc1ccc(-c2noc(CCC(=O)N3CCC(C)CC3)n2)cc1 Cc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)CCc1nc(no1)[*:1]
Cc1cc2ncc([C@@H](C)[NH2+]CCNC(=O)c3ccccc3Cl)c(C)n2n1 Clc1ccccc1[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)[NH2+]CCNC(=O)[*:1]
CC(=O)c1ccc(OCC(=O)NC[C@@H](C)c2cccs2)cc1 c1csc(c1)[*:1] CC(=O)c1ccc(cc1)OCC(=O)NC[C@@H](C)[*:1]
CC(=O)c1ccc(OCC(=O)NC[C@@H](C)c2cccs2)cc1 CC(=O)[*:1] C[C@H](CNC(=O)COc1ccc(cc1)[*:1])c1cccs1
CC(C)(C)C1CCC(=CC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)CC1 CC(C)(C)[*:1] O=C(C=C1CCC(CC1)[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
CC(C)(C)C1CCC(=CC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)CC1 c1cnc(nc1)[*:1] CC(C)(C)C1CCC(=CC(=O)NC[C@@H]2CCCN(C2)[*:1])CC1
Cn1c(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccc(F)cc21 O=[N+]([O-])[*:1] Cn1c(CCNc2ccc(cc2[*:1])[N+](=O)[O-])nc2ccc(F)cc21
Cn1c(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccc(F)cc21 O=[N+]([O-])[*:1] Cn1c(CCNc2ccc(cc2[N+](=O)[O-])[*:1])nc2ccc(F)cc21
COC(=O)C1(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CCCC1 COC(=O)[*:1] O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC1(CCCC1)[*:1]
COc1cc2ccccc2cc1C(=O)N/N=C\c1cccnc1 c1cncc(c1)[*:1] COc1cc2ccccc2cc1C(=O)NN=C[*:1]
CN(C)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 CN(C)c1ccc(cc1)[*:1] C[NH+](C)CCCN(C(=O)[*:1])c1nc2cc3OCOc3cc2s1
CN(C)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 CN(C)[*:1] C[NH+](C)CCCN(C(=O)c1ccc(cc1)[*:1])c1nc2cc3OCOc3cc2s1
O=c1c2c3c(sc2ncn1CCc1nc2c(s1)CCC2)CNCC3 C1Cc2nc(sc2C1)[*:1] O=c1c2c3CCNCc3sc2ncn1CC[*:1]
CCn1nc(C)c(NC(=O)N(C)[C@H](C)c2sc(C)nc2C)c1C Cc1nc(C)c(s1)[*:1] CCn1nc(C)c(NC(=O)N(C)[C@H](C)[*:1])c1C
CC(C)CN1CCO[C@@H](CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 CC(C)C[*:1] Cn1c(=O)c2ccc(nc2n(C)c1=O)C(=O)NC[C@H]1CN(CCO1)[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 CC(C)[*:1] Cn1c(=O)c2ccc(nc2n(C)c1=O)C(=O)NC[C@H]1CN(CCO1)C[*:1]
O=C(NNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 O=[N+]([O-])[*:1] O=C(NNc1ncnc(Sc2ccc(Cl)cc2)c1[*:1])c1cccc2ccccc12
O=C(NNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] O=C(NNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])[*:1]
O=C(NNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 Clc1ccc(cc1)[*:1] O=C(NNc1ncnc(S[*:1])c1[N+](=O)[O-])c1cccc2ccccc12
O=C(NNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 Clc1ccc(cc1)S[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1cccc2ccccc12
COC[C@@H](C)NC(=O)c1cccc(I)c1 COC[C@@H](C)[*:1] O=C(N[*:1])c1cccc(I)c1
COC[C@@H](C)NC(=O)c1cccc(I)c1 COC[*:1] C[C@@H](NC(=O)c1cccc(I)c1)[*:1]
O=C(c1cc2cccc(Cl)c2o1)N1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] O=C(c1cc2cccc(Cl)c2o1)N1CC[C@@H](C1)[*:1]
O=C(c1cc2cccc(Cl)c2o1)N1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] O=C(c1cc2cccc(Cl)c2o1)N1CC[C@H](C1)C[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)CCC(=O)c2ccccc2)cc1 O=C(C[*:1])c1ccccc1 Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)C[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)CCC(=O)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)CC[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)CCC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)CCC(=O)[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)CCC(=O)c2ccccc2)cc1 Cc1nccn1[*:1] C[C@H](NC(=O)CCC(=O)c1ccccc1)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H](C)S(=O)(=O)[*:1]
CC(C)[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)c1nc(C2CC2)no1 CC(C)[*:1] C[C@@H]([NH2+][C@@H](c1nc(no1)C1CC1)[*:1])c1ccc(Cl)c(Cl)c1
CC(C)[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)c1nc(no1)[*:1]
CC[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc2c(c1)OCCO2 C1CC1[*:1] CC[C@@H](NC[C@@H]1CN(CCO1)[*:1])c1ccc2OCCOc2c1
CC(C)c1nc(C(=O)N2CCc3sccc3[C@H]2C)n[nH]1 CC(C)[*:1] C[C@@H]1c2ccsc2CCN1C(=O)c1n[nH]c(n1)[*:1]
CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3ccccc32)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2ccccc21
CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3ccccc32)cc1 CCO[*:1] Cc1ccc(cc1)Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(cc2)[*:1])c1=O
CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3ccccc32)cc1 Cc1ccc(cc1)C[*:1] CCOc1ccc(cc1)NC(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
Cc1nc(N2CCC[C@@H](C(=O)NCc3cc4ccccc4s3)C2)nc2cc(S(C)(=O)=O)ccc12 c1ccc2sc(cc2c1)[*:1] Cc1nc(nc2cc(ccc12)S(C)(=O)=O)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1nc(N2CCC[C@@H](C(=O)NCc3cc4ccccc4s3)C2)nc2cc(S(C)(=O)=O)ccc12 CS(=O)(=O)[*:1] Cc1nc(nc2cc(ccc12)[*:1])N1CCC[C@H](C1)C(=O)NCc1cc2ccccc2s1
Cc1nc(N2CCC[C@@H](C(=O)NCc3cc4ccccc4s3)C2)nc2cc(S(C)(=O)=O)ccc12 c1ccc2sc(cc2c1)C[*:1] Cc1nc(nc2cc(ccc12)S(C)(=O)=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1ccc(-c2nnc(SCC(=O)Nc3nc4c(C)cc(C)cc4s3)o2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cc(C)c2nc(NC(=O)CSc3nnc(o3)[*:1])sc2c1
CC[C@@H](C)C(=O)NNS(=O)(=O)/C=C/c1ccccc1 CC[C@@H](C)[*:1] O=C(NNS(=O)(=O)/C=C/c1ccccc1)[*:1]
CC[C@@H](C)C(=O)NNS(=O)(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)C(=O)NNS(=O)(=O)C=C[*:1]
O=C(Nc1cccc(-n2cnnc2)c1)c1cc2ccccc2oc1=O c1nncn1[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2ccccc2oc1=O
CCCn1nccc1[C@@H](N)C[NH+](C)C CCC[*:1] C[NH+](C)C[C@H](N)c1ccnn1[*:1]
CCCCC[C@@H](C)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O CCCC[*:1] C[C@@H](C(=O)N[C@H](C)C[*:1])N1C(=O)c2ccccc2C1=O
CCCCC[C@@H](C)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O CCCCC[C@@H](C)[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CCCCC[C@@H](C)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O CCCCC[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])N1C(=O)c2ccccc2C1=O
CCCCC[C@@H](C)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O CCC[*:1] C[C@@H](C(=O)N[C@H](C)CC[*:1])N1C(=O)c2ccccc2C1=O
C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@]1(O)CCc2ccccc21 Clc1cccc(c1)[*:1] C[C@H](CC(=O)N[*:1])[NH2+]C[C@@]1(O)CCc2ccccc21
N#Cc1ccccc1OCCSC[C@@H](O)CO OC[C@H](O)C[*:1] N#Cc1ccccc1OCCS[*:1]
N#Cc1ccccc1OCCSC[C@@H](O)CO OC[C@H](O)[*:1] N#Cc1ccccc1OCCSC[*:1]
Cc1nc(C(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)nn1-c1ccccc1Cl CC(C)(C)[*:1] Cc1nc(nn1-c1ccccc1Cl)C(=O)N1CCC(CC1)CN(C)C(=O)O[*:1]
Cc1nc(C(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)nn1-c1ccccc1Cl CN(C(=O)OC(C)(C)C)[*:1] Cc1nc(nn1-c1ccccc1Cl)C(=O)N1CCC(CC1)C[*:1]
Cc1nc(C(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)nn1-c1ccccc1Cl CN(C[*:1])C(=O)OC(C)(C)C Cc1nc(nn1-c1ccccc1Cl)C(=O)N1CCC(CC1)[*:1]
Cc1nc(C(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)nn1-c1ccccc1Cl Clc1ccccc1[*:1] Cc1nc(nn1[*:1])C(=O)N1CCC(CC1)CN(C)C(=O)OC(C)(C)C
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)N1CCNC1=O)c1ccc(cc1F)[*:1]
O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc([N+](=O)[O-])cc1F O=C1NCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1F)[N+](=O)[O-]
Cc1noc(C)c1[C@@H](C)CNCc1ccccn1 c1ccc(nc1)[*:1] Cc1noc(C)c1[C@@H](C)CNC[*:1]
CC(C)COCCCNC(=O)[C@@H]1CCC[NH2+]C1 CC(C)CO[*:1] O=C(NCCC[*:1])[C@@H]1CCC[NH2+]C1
CC(C)COCCCNC(=O)[C@@H]1CCC[NH2+]C1 CC(C)C[*:1] O=C(NCCCO[*:1])[C@@H]1CCC[NH2+]C1
CC(C)COCCCNC(=O)[C@@H]1CCC[NH2+]C1 CC(C)[*:1] O=C(NCCCOC[*:1])[C@@H]1CCC[NH2+]C1
COc1c2c(c(NC(=O)C3CCCC3)c3c1OCO3)CC[NH+](C)C2 O=C(N[*:1])C1CCCC1 COc1c2C[NH+](C)CCc2c(c2OCOc12)[*:1]
COc1c2c(c(NC(=O)C3CCCC3)c3c1OCO3)CC[NH+](C)C2 C1CCC(C1)[*:1] COc1c2C[NH+](C)CCc2c(NC(=O)[*:1])c2OCOc12
CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 CCS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2s1)c1ccc(cc1)[*:1]
CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 c1ccc2sc(nc2c1)[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
O=C(c1ccc(-c2ccc(F)cc2)nc1)N1CCC[C@H](c2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(nc1)[*:1])N1CCC[C@@H](CC1)c1ccccc1
O=C(c1ccc(-c2ccc(F)cc2)nc1)N1CCC[C@H](c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(nc1)-c1ccc(F)cc1)N1CCC[C@H](CC1)[*:1]
Cc1cc2nc(C)c(=O)n(CCC(=O)N3CCN(c4ccccc4F)CC3)c2cc1C Fc1ccccc1[*:1] Cc1cc2nc(C)c(=O)n(CCC(=O)N3CCN(CC3)[*:1])c2cc1C
O=C(CSC(=S)N1CCCC1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 S=C(SC[*:1])N1CCCC1 O=C(N1N=C(C[C@H]1c1ccco1)c1cc2ccccc2o1)[*:1]
O=C(CSC(=S)N1CCCC1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 S=C(S[*:1])N1CCCC1 O=C(C[*:1])N1N=C(C[C@H]1c1ccco1)c1cc2ccccc2o1
O=C(CSC(=S)N1CCCC1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 c1ccc2oc(cc2c1)[*:1] O=C(CSC(=S)N1CCCC1)N1N=C(C[C@H]1c1ccco1)[*:1]
O=C(CSC(=S)N1CCCC1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(CSC(=S)N1CCCC1)N1N=C(C[C@@H]1[*:1])c1cc2ccccc2o1
Brc1ccc(NCCCOC[C@@H]2CCOC2)nc1 C1C[C@H](CO1)[*:1] Brc1ccc(nc1)NCCCOC[*:1]
Brc1ccc(NCCCOC[C@@H]2CCOC2)nc1 C1C[C@H](CO1)C[*:1] Brc1ccc(nc1)NCCCO[*:1]
Cc1ccc(-c2noc(CN3CCN(C(=O)c4cc5ccccc5[nH]c4=O)CC3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc2ccccc2[nH]c1=O)N1CCN(CC1)Cc1nc(no1)[*:1]
Cc1ccccc1COc1ccccc1C(=O)N[C@H](C)C(N)=O NC(=O)[*:1] Cc1ccccc1COc1ccccc1C(=O)N[C@H](C)[*:1]
Cc1ccccc1COc1ccccc1C(=O)N[C@H](C)C(N)=O Cc1ccccc1[*:1] C[C@@H](NC(=O)c1ccccc1OC[*:1])C(N)=O
C[C@H](C[C@H](O)c1ccco1)NC(=O)Nc1cnc(-c2ccccc2)s1 c1coc(c1)[*:1] C[C@H](C[C@H](O)[*:1])NC(=O)Nc1cnc(s1)-c1ccccc1
C[C@H](C[C@H](O)c1ccco1)NC(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] C[C@H](C[C@H](O)c1ccco1)NC(=O)Nc1cnc(s1)[*:1]
C[C@H](C[C@H](O)c1ccco1)NC(=O)Nc1cnc(-c2ccccc2)s1 O[C@H](c1ccco1)[*:1] C[C@H](C[*:1])NC(=O)Nc1cnc(s1)-c1ccccc1
Cc1noc(C)c1CC(=O)N1CCC[C@@H]2CN(C(=O)CCCc3ccccc3)CC[C@@H]21 c1ccc(cc1)CCC[*:1] Cc1noc(C)c1CC(=O)N1CCC[C@@H]2CN(CC[C@@H]21)C(=O)[*:1]
Cc1noc(C)c1CC(=O)N1CCC[C@@H]2CN(C(=O)CCCc3ccccc3)CC[C@@H]21 Cc1noc(C)c1[*:1] O=C(CCCc1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)C[*:1])C1
Cc1noc(C)c1CC(=O)N1CCC[C@@H]2CN(C(=O)CCCc3ccccc3)CC[C@@H]21 c1ccc(cc1)C[*:1] Cc1noc(C)c1CC(=O)N1CCC[C@@H]2CN(CC[C@@H]21)C(=O)CC[*:1]
Cc1noc(C)c1CC(=O)N1CCC[C@@H]2CN(C(=O)CCCc3ccccc3)CC[C@@H]21 c1ccc(cc1)[*:1] Cc1noc(C)c1CC(=O)N1CCC[C@@H]2CN(CC[C@@H]21)C(=O)CCC[*:1]
Cc1noc(C)c1CC(=O)N1CCC[C@@H]2CN(C(=O)CCCc3ccccc3)CC[C@@H]21 c1ccc(cc1)CC[*:1] Cc1noc(C)c1CC(=O)N1CCC[C@@H]2CN(CC[C@@H]21)C(=O)C[*:1]
Cc1noc(C)c1CC(=O)N1CCC[C@@H]2CN(C(=O)CCCc3ccccc3)CC[C@@H]21 Cc1noc(C)c1C[*:1] O=C(CCCc1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)[*:1])C1
CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]C1 CC(C)(C)[*:1] O=C(N[C@@H]1CC[NH2+]C1)O[*:1]
N#Cc1ccc(Nc2cccc(C(=O)N[C@H](CO)c3ccco3)c2)cc1 c1coc(c1)[*:1] N#Cc1ccc(cc1)Nc1cccc(c1)C(=O)N[C@H](CO)[*:1]
N#Cc1ccc(Nc2cccc(C(=O)N[C@H](CO)c3ccco3)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[C@H](CO)c1ccco1)c1cccc(c1)N[*:1]
Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 Cc1ccc(o1)[*:1] O=C(CNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1)NN=C[*:1]
Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(cc2)[*:1])o1
C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc2ccccc2[nH]1 O=C1CCCN1[*:1] C[C@@H](NC(=O)c1ccc(Cl)c(c1)[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] C[C@@H](NC(=O)c1ccc(Cl)c(c1)N1CCCC1=O)[*:1]
Cc1nc(C2([NH2+]CC(=O)N[C@@H](C)c3ccccc3)CCCCC2)no1 Cc1nc(no1)[*:1] C[C@H](NC(=O)C[NH2+]C1(CCCCC1)[*:1])c1ccccc1
Cc1nc(C2([NH2+]CC(=O)N[C@@H](C)c3ccccc3)CCCCC2)no1 c1ccc(cc1)[*:1] Cc1nc(no1)C1(CCCCC1)[NH2+]CC(=O)N[C@@H](C)[*:1]
Cc1nc(C2([NH2+]CC(=O)N[C@@H](C)c3ccccc3)CCCCC2)no1 C[C@@H](c1ccccc1)[*:1] Cc1nc(no1)C1(CCCCC1)[NH2+]CC(=O)N[*:1]
Cc1ccccc1OCc1nc2cc(Cl)ccc2n1C[C@H]1CCCO1 Cc1ccccc1O[*:1] Clc1ccc2c(c1)nc(C[*:1])n2C[C@H]1CCCO1
Cc1ccccc1OCc1nc2cc(Cl)ccc2n1C[C@H]1CCCO1 Cc1ccccc1[*:1] Clc1ccc2c(c1)nc(CO[*:1])n2C[C@H]1CCCO1
Cc1ccc([C@@H]2N=[NH+]C(=S)N2/N=C/c2ccccc2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1/C=N/N1C(=S)[NH+]=N[C@H]1[*:1]
Cc1ccc([C@@H]2N=[NH+]C(=S)N2/N=C/c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@@H]1N=[NH+]C(=S)N1/N=C/c1ccccc1[*:1]
O=C(c1cc2c(s1)CCOC2)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(c1cc2COCCc2s1)N1C[C@H](O)C[C@@H]1[*:1]
NC(=O)c1cc(Cl)ccc1OCc1ccc(F)c(F)c1 NC(=O)[*:1] Fc1ccc(cc1F)COc1ccc(Cl)cc1[*:1]
COc1cc([C@@H](C)[NH2+][C@@H](C)c2nccs2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[C@@H](C)[NH2+][C@@H](C)c1nccs1
COc1cc([C@@H](C)[NH2+][C@@H](C)c2nccs2)ccc1OC(C)C c1csc(n1)[*:1] COc1cc(ccc1OC(C)C)[C@@H](C)[NH2+][C@@H](C)[*:1]
COc1cc([C@@H](C)[NH2+][C@@H](C)c2nccs2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[C@@H](C)[NH2+][C@@H](C)c1nccs1
O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)c1cnccn1 O=C(N[*:1])c1cnccn1 O=C(NC[C@@H](Cc1ccccc1)[*:1])c1cnccn1
O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)c1cnccn1 O=C(N[*:1])c1cnccn1 O=C(N[C@H](Cc1ccccc1)C[*:1])c1cnccn1
O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)c1cnccn1 c1cnc(cn1)[*:1] O=C(N[C@@H](CNC(=O)[*:1])Cc1ccccc1)c1cnccn1
O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)c1cnccn1 c1ccc(cc1)C[*:1] O=C(NC[C@@H](NC(=O)c1cnccn1)[*:1])c1cnccn1
O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)c1cnccn1 c1cnc(cn1)[*:1] O=C(NC[C@@H](Cc1ccccc1)NC(=O)[*:1])c1cnccn1
O=C(NC[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)c1cnccn1 c1ccc(cc1)[*:1] O=C(NC[C@@H](C[*:1])NC(=O)c1cnccn1)c1cnccn1
[NH2+]=C1CCCN1c1ccc(Cl)cc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] [NH2+]=C1CCCN1c1ccc(Cl)cc1C(=O)[*:1]
NS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 NS(=O)(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCC[C@@H]1c1ccc2OCCOc2c1
O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CC1 O=C(C[*:1])NC1CC1 O=S(=O)(N[*:1])c1cccc(c1)C(F)(F)F
O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CC1 FC(F)(F)[*:1] O=C(CNS(=O)(=O)c1cccc(c1)[*:1])NC1CC1
O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CC1 C1CC1[*:1] O=C(CNS(=O)(=O)c1cccc(c1)C(F)(F)F)N[*:1]
O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CC1 O=C(NC1CC1)[*:1] O=S(=O)(NC[*:1])c1cccc(c1)C(F)(F)F
Cc1csc(Sc2ccc(C(=O)Nc3cc(C)on3)cc2[N+](=O)[O-])n1 Cc1cc(no1)[*:1] Cc1csc(n1)Sc1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
Cc1csc(Sc2ccc(C(=O)Nc3cc(C)on3)cc2[N+](=O)[O-])n1 Cc1csc(n1)S[*:1] Cc1cc(no1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1csc(Sc2ccc(C(=O)Nc3cc(C)on3)cc2[N+](=O)[O-])n1 Cc1csc(n1)[*:1] Cc1cc(no1)NC(=O)c1ccc(S[*:1])c(c1)[N+](=O)[O-]
Cc1csc(Sc2ccc(C(=O)Nc3cc(C)on3)cc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1csc(n1)Sc1ccc(cc1[*:1])C(=O)Nc1cc(C)on1
Cc1ccccc1[C@H]1C[C@H](C)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] Cc1ccccc1[C@H]1C[C@H](C)N(C1)[*:1]
Cc1ccccc1[C@H]1C[C@H](C)N(CC(F)(F)F)C1 FC(F)(F)[*:1] Cc1ccccc1[C@H]1C[C@H](C)N(C1)C[*:1]
O=C([C@@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCC([C@H](O)c2cccs2)CC1 Clc1cccc(c1)C[*:1] O=C([C@@H]1CC(=NO1)[*:1])N1CCC(CC1)[C@H](O)c1cccs1
O=C([C@@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCC([C@H](O)c2cccs2)CC1 O[C@H](c1cccs1)[*:1] O=C([C@@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCC(CC1)[*:1]
O=C([C@@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCC([C@H](O)c2cccs2)CC1 Clc1cccc(c1)[*:1] O=C([C@@H]1CC(C[*:1])=NO1)N1CCC(CC1)[C@H](O)c1cccs1
O=C([C@@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCC([C@H](O)c2cccs2)CC1 c1csc(c1)[*:1] O=C([C@@H]1CC(Cc2cccc(Cl)c2)=NO1)N1CCC(CC1)[C@H](O)[*:1]
CC[C@@H](C(=O)Nc1nc(-c2ccccc2F)cs1)c1c(C)noc1C Fc1ccccc1[*:1] CC[C@@H](C(=O)Nc1nc(cs1)[*:1])c1c(C)noc1C
CC[C@@H](C(=O)Nc1nc(-c2ccccc2F)cs1)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H](C(=O)Nc1nc(cs1)-c1ccccc1F)[*:1]
CN(CCOCC1CC1)C(=O)[C@@H]1CCCCC[C@H]1[NH3+] C1CC1COC[*:1] CN(C[*:1])C(=O)[C@@H]1CCCCC[C@H]1[NH3+]
CN(CCOCC1CC1)C(=O)[C@@H]1CCCCC[C@H]1[NH3+] C1CC1CO[*:1] CN(CC[*:1])C(=O)[C@@H]1CCCCC[C@H]1[NH3+]
CN(CCOCC1CC1)C(=O)[C@@H]1CCCCC[C@H]1[NH3+] C1CC1[*:1] CN(CCOC[*:1])C(=O)[C@@H]1CCCCC[C@H]1[NH3+]
CN(CCOCC1CC1)C(=O)[C@@H]1CCCCC[C@H]1[NH3+] C1CC1C[*:1] CN(CCO[*:1])C(=O)[C@@H]1CCCCC[C@H]1[NH3+]
CC(C)=C[C@H]([NH3+])Cc1ccccn1 CC(C)=C[*:1] [NH3+][C@H](Cc1ccccn1)[*:1]
Cc1ncn(C[C@@H](C)[NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1C Cc1ncn(c1C)[*:1] C[C@H](C[*:1])[NH2+][C@H](C)c1cccc(c1)NC(=O)c1ccccc1
Cc1ncn(C[C@@H](C)[NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1C O=C(N[*:1])c1ccccc1 Cc1ncn(C[C@@H](C)[NH2+][C@H](C)c2cccc(c2)[*:1])c1C
Cc1ncn(C[C@@H](C)[NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1C c1ccc(cc1)[*:1] Cc1ncn(C[C@@H](C)[NH2+][C@H](C)c2cccc(c2)NC(=O)[*:1])c1C
COc1ccc(Cc2n[nH]c(SCc3ccc(Cl)cc3)n2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)Cc1n[nH]c(n1)SC[*:1]
C[C@@H]1CCc2nc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])sc2C1 O=C([O-])[*:1] C[C@@H]1CCc2nc(NC(=O)[C@H]3CC=CC[C@H]3[*:1])sc2C1
Cc1cc(OCC(=O)NCC[C@H](O)c2ccccc2)ccc1Cl c1ccc(cc1)[*:1] Cc1cc(ccc1Cl)OCC(=O)NCC[C@H](O)[*:1]
O=C(NCc1ccc([N+]2=CCCC2)cc1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)C(=O)N[*:1]
C1=C[C@H]2C[C@@H]1C[C@H]2C[NH2+]CCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] C1=C[C@H]2C[C@@H]1C[C@H]2C[NH2+]CCc1nccn1C[*:1]
C1=C[C@H]2C[C@@H]1C[C@H]2C[NH2+]CCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] C1=C[C@H]2C[C@@H]1C[C@H]2C[NH2+]CCc1nccn1[*:1]
O=S(=O)(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=S(=O)(c1ccccc1)N1CCc2ccc(cc2C1)NS(=O)(=O)[*:1]
O=S(=O)(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2)c1cc(Cl)ccc1Cl c1ccc(cc1)[*:1] O=S(=O)(Nc1ccc2CCN(Cc2c1)S(=O)(=O)[*:1])c1cc(Cl)ccc1Cl
CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccc3c(c1)OCO3)C2 O=C(N1CCCC1)[*:1] CCn1nc(c2C[C@@H](CCc21)NCc1ccc2OCOc2c1)[*:1]
CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccc3c(c1)OCO3)C2 c1cc2OCOc2cc1[*:1] CCn1nc(C(=O)N2CCCC2)c2C[C@@H](CCc21)NC[*:1]
CCOC(=O)C1CCN(c2nc3ccccc3n3c(=O)n(CC(=O)NC(C)(C)C)nc23)CC1 CCOC(=O)[*:1] CC(C)(C)NC(=O)Cn1nc2c(nc3ccccc3n2c1=O)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(c2nc3ccccc3n3c(=O)n(CC(=O)NC(C)(C)C)nc23)CC1 CCOC(=O)C1CCN(CC1)[*:1] CC(C)(C)NC(=O)Cn1nc2c(nc3ccccc3n2c1=O)[*:1]
CCOC(=O)C1CCN(c2nc3ccccc3n3c(=O)n(CC(=O)NC(C)(C)C)nc23)CC1 CC(C)(C)NC(=O)[*:1] CCOC(=O)C1CCN(CC1)c1nc2ccccc2n2c(=O)n(C[*:1])nc12
CCOC(=O)C1CCN(c2nc3ccccc3n3c(=O)n(CC(=O)NC(C)(C)C)nc23)CC1 CC(C)(C)[*:1] CCOC(=O)C1CCN(CC1)c1nc2ccccc2n2c(=O)n(CC(=O)N[*:1])nc12
CCOC(=O)C1CCN(c2nc3ccccc3n3c(=O)n(CC(=O)NC(C)(C)C)nc23)CC1 CC(C)(C)NC(=O)C[*:1] CCOC(=O)C1CCN(CC1)c1nc2ccccc2n2c(=O)n(nc12)[*:1]
N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1SCC(=O)[O-] O=C([O-])C[*:1] N#Cc1ccc(nc1S[*:1])-c1ccc(Cl)c(Cl)c1
N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1SCC(=O)[O-] O=C([O-])CS[*:1] N#Cc1ccc(nc1[*:1])-c1ccc(Cl)c(Cl)c1
N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1SCC(=O)[O-] O=C([O-])[*:1] N#Cc1ccc(nc1SC[*:1])-c1ccc(Cl)c(Cl)c1
CCc1cc(CNC(=O)N2CC=C(c3ccccc3Cl)CC2)on1 CCc1cc(C[*:1])on1 O=C(N[*:1])N1CC=C(CC1)c1ccccc1Cl
CCc1cc(CNC(=O)N2CC=C(c3ccccc3Cl)CC2)on1 CCc1cc(on1)[*:1] O=C(NC[*:1])N1CC=C(CC1)c1ccccc1Cl
CCc1cc(CNC(=O)N2CC=C(c3ccccc3Cl)CC2)on1 Clc1ccccc1[*:1] CCc1cc(CNC(=O)N2CC=C(CC2)[*:1])on1
O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc(Cl)cc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])C(=O)NC[C@@H]1OCCN1C(=O)c1ccc(Cl)cc1
O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H]1OCCN1C(=O)[*:1]
O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc(Cl)cc1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(NC[C@@H]1OCCN1C(=O)c1ccc(Cl)cc1)C(=O)NC[*:1]
CC(C)(NCC(=O)N1CCNC(=O)C1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)(NCC(=O)N1CCNC(=O)C1)[*:1]
C[C@H](NC(=O)N[C@@H]1C[C@H]1C)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@@H]1C[C@H]1C)C(C)(C)[*:1]
C[C@H](NC(=O)N[C@@H]1C[C@H]1C)C(C)(C)c1ccccc1 C[C@@H]1C[C@H]1[*:1] C[C@H](NC(=O)N[*:1])C(C)(C)c1ccccc1
O=C1[C@H](Sc2nnc(-c3ccccc3)o2)CCN1c1ccccc1Cl Clc1ccccc1[*:1] O=C1[C@@H](CCN1[*:1])Sc1nnc(o1)-c1ccccc1
O=C1[C@H](Sc2nnc(-c3ccccc3)o2)CCN1c1ccccc1Cl c1ccc(cc1)[*:1] O=C1[C@@H](CCN1c1ccccc1Cl)Sc1nnc(o1)[*:1]
CCC[NH2+][C@@H]1[C@H](n2cc[nH+]c2CCC)CCC1(C)C CCC[*:1] CCCc1[nH+]ccn1[C@@H]1CCC(C)(C)[C@@H]1[NH2+][*:1]
CCC[NH2+][C@@H]1[C@H](n2cc[nH+]c2CCC)CCC1(C)C CCC[*:1] CCC[NH2+][C@@H]1[C@@H](CCC1(C)C)n1cc[nH+]c1[*:1]
Cc1cc(NC(=O)c2cc(Cn3cc(C)cn3)on2)c2ncccc2c1 Cc1cnn(c1)C[*:1] Cc1cc(NC(=O)c2cc(on2)[*:1])c2ncccc2c1
Cc1cc(NC(=O)c2cc(Cn3cc(C)cn3)on2)c2ncccc2c1 Cc1cnn(c1)[*:1] Cc1cc(NC(=O)c2cc(C[*:1])on2)c2ncccc2c1
O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21)c1ccccc1 O=C(NC[*:1])c1ccccc1 O=C(Cn1c(CC[*:1])nc2ccccc21)N1CCCc2ccccc21
O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21)c1ccccc1 O=C(NCC[*:1])c1ccccc1 O=C(Cn1c(C[*:1])nc2ccccc21)N1CCCc2ccccc21
O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(CCCNC(=O)[*:1])nc2ccccc21)N1CCCc2ccccc21
O=C(NCCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(Cn1c(CCC[*:1])nc2ccccc21)N1CCCc2ccccc21
CC[C@@](C)(C#CC[NH+]1CCCC1)OC(C)=O CC(=O)O[*:1] CC[C@@](C)(C#CC[NH+]1CCCC1)[*:1]
COCCNS(=O)(=O)c1cccc(C(=O)N2CC(OC)C2)c1 COCC[*:1] COC1CN(C1)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
COCCNS(=O)(=O)c1cccc(C(=O)N2CC(OC)C2)c1 COC[*:1] COC1CN(C1)C(=O)c1cccc(c1)S(=O)(=O)NC[*:1]
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)c1cccc(c1)[N+](=O)[O-])O[*:1]
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1cccc(c1)[N+](=O)[O-])OC[*:1]
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCc1ccccc1 O=[N+]([O-])[*:1] O=C(CNC(=O)c1cccc(c1)[*:1])OCc1ccccc1
Cc1cc(N2CCS[C@@H](C(C)C)C2)n2ncnc2n1 CC(C)[*:1] Cc1cc(N2CCS[C@@H](C2)[*:1])n2ncnc2n1
CC[C@@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)c1ccc2c(c1)CCN2C(C)=O)[*:1]
Cc1noc([C@@H](C)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)n1 Cc1noc(n1)[C@@H](C)N[*:1] O=C(C[NH+]1CCCCCCC1)Nc1ccc(cc1)[*:1]
Cc1noc([C@@H](C)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)n1 Cc1noc(n1)[*:1] C[C@@H](Nc1ccc(cc1)NC(=O)C[NH+]1CCCCCCC1)[*:1]
Cc1noc([C@@H](C)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)n1 Cc1noc(n1)[C@@H](C)[*:1] O=C(C[NH+]1CCCCCCC1)Nc1ccc(cc1)N[*:1]
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(Cc1nc(no1)-c1ccc(Cl)cc1)C(=O)[*:1]
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1 Clc1ccc(cc1)[*:1] CC(C)N(Cc1nc(no1)[*:1])C(=O)c1ccccc1
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1 CC(C)[*:1] O=C(c1ccccc1)N(Cc1nc(no1)-c1ccc(Cl)cc1)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCCCC2=O)cc1 O=C1CCCCN1[*:1] CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCCCC2=O)cc1 c1ccc(cc1)C[*:1] CN(S(=O)(=O)c1ccc(cc1)N1CCCCC1=O)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCCCC2=O)cc1 c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(cc1)N1CCCCC1=O
CC(C)OC(=O)[C@@H]1CCCN1CN1CCCCC1=O CC(C)OC(=O)[*:1] O=C1CCCCN1CN1CCC[C@H]1[*:1]
CC(C)OC(=O)[C@@H]1CCCN1CN1CCCCC1=O CC(C)[*:1] O=C(O[*:1])[C@@H]1CCCN1CN1CCCCC1=O
CCCCCC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CCCCC[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[NH2+]C[*:1]
CCCCCC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CCCC[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[NH2+]CC[*:1]
CCCCCC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CCC[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[NH2+]CCC[*:1]
CCCCCC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCCCCC[NH2+][C@@H]1CCC[C@@H](C1)[*:1]
O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 O=[N+]([O-])[*:1] Clc1ccc(cc1)N1CC[NH+](CC1)Cc1ccccc1[*:1]
O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1C[NH+]1CCN(CC1)[*:1]
C[C@H]([NH3+])c1ccc(O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 C[C@H]([NH3+])[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)Oc1ccc(cc1)[*:1]
C[C@H]([NH3+])c1ccc(O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 CS(=O)(=O)[*:1] C[C@H]([NH3+])c1ccc(cc1)O[C@@H]1CCC[C@H](C1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)c1cccc(c1)S(=O)(=O)N1CCCC1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] C[C@@H](c1ccccc1)N(C)C(=O)c1cccc(c1)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 C[C@@H](c1ccccc1)[*:1] CN(C(=O)c1cccc(c1)S(=O)(=O)N1CCCC1)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1[*:1]
COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 COc1ccc(cc1)[*:1] O=C(c1cccs1)N1CCC[C@H](C1)C(=O)N1CCC[C@H]1[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 Cc1noc(C)c1[*:1] O=S(=O)(N1CCC[C@@H]1c1ccc2OCCOc2c1)[*:1]
Cn1cc(SCC[C@@H]2CCC[C@@]2([NH3+])C(=O)[O-])cn1 Cn1cc(cn1)[*:1] [NH3+][C@]1(CCC[C@H]1CCS[*:1])C(=O)[O-]
Cn1cc(SCC[C@@H]2CCC[C@@]2([NH3+])C(=O)[O-])cn1 O=C([O-])[*:1] Cn1cc(cn1)SCC[C@@H]1CCC[C@]1([NH3+])[*:1]
COc1ccc(-c2nc(Cn3cnc(C(C)=O)n3)c(C)o2)c2ccccc12 CC(=O)[*:1] COc1ccc(-c2nc(Cn3cnc(n3)[*:1])c(C)o2)c2ccccc12
COc1ccc(-c2nc(Cn3cnc(C(C)=O)n3)c(C)o2)c2ccccc12 CC(=O)c1ncn(n1)[*:1] COc1ccc(-c2nc(C[*:1])c(C)o2)c2ccccc12
COc1ccc(-c2nc(Cn3cnc(C(C)=O)n3)c(C)o2)c2ccccc12 CC(=O)c1ncn(C[*:1])n1 COc1ccc(-c2nc(c(C)o2)[*:1])c2ccccc12
Cc1nsc(NCCn2cccn2)c1C(=O)[O-] c1cnn(c1)[*:1] Cc1nsc(NCC[*:1])c1C(=O)[O-]
Cc1nsc(NCCn2cccn2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NCCn2cccn2)c1[*:1]
CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 Cc1cccc(c1C)[*:1] CCc1nnc2S[C@H](C(=O)N[*:1])[C@H](Nn12)c1ccccc1
CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 c1ccc(cc1)[*:1] CCc1nnc2S[C@H](C(=O)Nc3cccc(C)c3C)[C@@H](Nn12)[*:1]
O=C(Nc1cccc(NC(=O)c2ccoc2)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 c1cc(co1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])C(=O)N1CC[C@H](C1)[NH+]1CCCC1
O=C(Nc1cccc(NC(=O)c2ccoc2)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 O=C(N[*:1])c1ccoc1 O=C(Nc1cccc(c1)[*:1])C(=O)N1CC[C@H](C1)[NH+]1CCCC1
Cc1ccccc1-n1c(S[C@@H](C)C(=O)NC2CCCC2)nnc1-c1ccncc1 O=C(NC1CCCC1)[*:1] Cc1ccccc1-n1c(nnc1-c1ccncc1)S[C@@H](C)[*:1]
Cc1ccccc1-n1c(S[C@@H](C)C(=O)NC2CCCC2)nnc1-c1ccncc1 C1CCC(C1)[*:1] Cc1ccccc1-n1c(nnc1-c1ccncc1)S[C@@H](C)C(=O)N[*:1]
Cc1ccccc1-n1c(S[C@@H](C)C(=O)NC2CCCC2)nnc1-c1ccncc1 c1cc(ccn1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])S[C@@H](C)C(=O)NC1CCCC1
Cc1ccccc1-n1c(S[C@@H](C)C(=O)NC2CCCC2)nnc1-c1ccncc1 Cc1ccccc1[*:1] C[C@H](Sc1nnc(-c2ccncc2)n1[*:1])C(=O)NC1CCCC1
O=C1COc2cc(C(=O)NCC3CC3)ccc2N1 C1CC1[*:1] O=C1COc2cc(ccc2N1)C(=O)NC[*:1]
O=C1COc2cc(C(=O)NCC3CC3)ccc2N1 C1CC1C[*:1] O=C1COc2cc(ccc2N1)C(=O)N[*:1]
COc1ccc(-c2nnc3s/c(=C\c4ccc(Cl)cc4)c(=O)n23)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nnc2sc(=C[*:1])c(=O)n12
C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl O=S(=O)(N1CCCCC1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)c1cc(ccc1Cl)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Cc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](C)NC(=O)[*:1]
Cc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCCCC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)C1CCCCC1)C(=O)N[*:1]
Cc1cccc(N2CCN(C(=O)COc3ccc(C=O)cc3)CC2)c1C Cc1cccc(c1C)[*:1] O=Cc1ccc(cc1)OCC(=O)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(C(=O)COc3ccc(C=O)cc3)CC2)c1C O=Cc1ccc(cc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)CO[*:1]
O=c1[nH]nc(SC[C@H]2CCCO2)n1Cc1ccccc1 C1CO[C@H](C1)C[*:1] O=c1[nH]nc(S[*:1])n1Cc1ccccc1
O=c1[nH]nc(SC[C@H]2CCCO2)n1Cc1ccccc1 C1CO[C@H](C1)[*:1] O=c1[nH]nc(SC[*:1])n1Cc1ccccc1
O=c1[nH]nc(SC[C@H]2CCCO2)n1Cc1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]nc(SC[C@H]2CCCO2)n1C[*:1]
C/[NH+]=C(/NCc1ncc(C)s1)N[C@@H]1CCCN(c2ccccc2OC)C1 Cc1cnc(C[*:1])s1 C/[NH+]=C(\N[C@@H]1CCCN(C1)c1ccccc1OC)N[*:1]
C/[NH+]=C(/NCc1ncc(C)s1)N[C@@H]1CCCN(c2ccccc2OC)C1 COc1ccccc1[*:1] C/[NH+]=C(/NCc1ncc(C)s1)N[C@@H]1CCCN(C1)[*:1]
C/[NH+]=C(/NCc1ncc(C)s1)N[C@@H]1CCCN(c2ccccc2OC)C1 Cc1cnc(s1)[*:1] C/[NH+]=C(/NC[*:1])N[C@@H]1CCCN(C1)c1ccccc1OC
N[C@H](c1ccsc1)C1([NH+]2CCCCC2)CCCC1 c1cc(cs1)[*:1] N[C@H](C1(CCCC1)[NH+]1CCCCC1)[*:1]
O=S(=O)(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccccc1Cl c1cncc(c1)[*:1] O=S(=O)(NCC1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1Cl
O=S(=O)(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccccc1Cl Clc1ccccc1[*:1] O=S(=O)(c1cccnc1)N1CCC(CC1)CNS(=O)(=O)[*:1]
COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(OC)c1 Cc1ccc(cc1)C[*:1] COc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])c(c1)OC
COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(/C=C2\SC(=O)N(C[*:1])C2=O)c(c1)OC
CCO[C@@H](C)c1nc(CN2CCN(C(=O)CC3=CCCCC3)CC2)cs1 CCO[*:1] C[C@@H](c1nc(cs1)CN1CCN(CC1)C(=O)CC1=CCCCC1)[*:1]
CCN[C@]1(C#N)CC[C@H](N2CC[NH+]([C@H](C)CC)CC2)C1 CC[C@@H](C)[*:1] CCN[C@]1(C#N)CC[C@@H](C1)N1CC[NH+](CC1)[*:1]
CCN[C@]1(C#N)CC[C@H](N2CC[NH+]([C@H](C)CC)CC2)C1 CCN[*:1] CC[C@@H](C)[NH+]1CCN(CC1)[C@H]1CC[C@@](C#N)(C1)[*:1]
Cn1c(=O)oc2ccc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc21 CC(C)(C)[*:1] Cn1c(=O)oc2ccc(cc21)NC(=O)[C@@H]1CCN(C1)C(=O)O[*:1]
O=C(COc1ccc2c(c1)OCO2)Nc1nnc(C2CCCCC2)s1 C1CCC(CC1)[*:1] O=C(COc1ccc2OCOc2c1)Nc1nnc(s1)[*:1]
COCCC[C@H]1CCCN(c2nccc(N3CCC(O)CC3)n2)C1 COCCC[*:1] OC1CCN(CC1)c1ccnc(n1)N1CCC[C@@H](C1)[*:1]
COCCC[C@H]1CCCN(c2nccc(N3CCC(O)CC3)n2)C1 OC1CCN(CC1)[*:1] COCCC[C@H]1CCCN(C1)c1nccc(n1)[*:1]
COCCC[C@H]1CCCN(c2nccc(N3CCC(O)CC3)n2)C1 COC[*:1] OC1CCN(CC1)c1ccnc(n1)N1CCC[C@H](CC[*:1])C1
COCCC[C@H]1CCCN(c2nccc(N3CCC(O)CC3)n2)C1 COCC[*:1] OC1CCN(CC1)c1ccnc(n1)N1CCC[C@@H](C1)C[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)COC3)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc2COCc2c1)[*:1]
Cc1nc2cc(SCC(=O)[O-])ccc2s1 O=C([O-])CS[*:1] Cc1nc2cc(ccc2s1)[*:1]
Cc1nc2cc(SCC(=O)[O-])ccc2s1 O=C([O-])[*:1] Cc1nc2cc(ccc2s1)SC[*:1]
Cc1nc2cc(SCC(=O)[O-])ccc2s1 O=C([O-])C[*:1] Cc1nc2cc(ccc2s1)S[*:1]
Cc1ccc(NC(=O)CCc2ccc3ccn(C)c3c2)cc1 Cc1ccc(cc1)[*:1] Cn1ccc2ccc(cc21)CCC(=O)N[*:1]
Cc1oc(-c2ccccc2)nc1C(=O)NCCc1cn2ccccc2n1 c1ccc(cc1)[*:1] Cc1oc(nc1C(=O)NCCc1cn2ccccc2n1)[*:1]
O=C(NNS(=O)(=O)c1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 Clc1cccc(Cl)c1[*:1] O=C(NNS(=O)(=O)[*:1])c1ccc2OCCOc2c1
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccncc1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)Nc1ccncc1)[*:1]
CCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccc(OC)c3)cc12 CCOC(=O)[*:1] COc1cccc(c1)C(=O)Oc1ccc2oc(C)c(c2c1)[*:1]
CCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccc(OC)c3)cc12 COc1cccc(c1)[*:1] CCOC(=O)c1c(C)oc2ccc(cc12)OC(=O)[*:1]
O=c1ccc2ccc(OC[C@H](O)COCc3ccccc3F)cc2o1 Fc1ccccc1[*:1] O=c1ccc2ccc(cc2o1)OC[C@H](O)COC[*:1]
O=c1ccc2ccc(OC[C@H](O)COCc3ccccc3F)cc2o1 Fc1ccccc1C[*:1] O=c1ccc2ccc(cc2o1)OC[C@H](O)CO[*:1]
CC(C)[C@@H](C[NH+](C)C)N[C@H]1CCCc2cccnc21 CC(C)[*:1] C[NH+](C)C[C@@H](N[C@H]1CCCc2cccnc21)[*:1]
CC[C@@H](C#N)Oc1cccc(CNC(=O)CC2(O)CCCC2)c1 OC1(CCCC1)C[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)[*:1]
CC[C@@H](C#N)Oc1cccc(CNC(=O)CC2(O)CCCC2)c1 OC1(CCCC1)[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)C[*:1]
CCCCN(C(=O)NCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(NCc1ccncc1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)NCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 c1cc(ccn1)C[*:1] CCCCN(C(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)NCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCCN(C(=O)NCc1ccncc1)[*:1]
CCCCN(C(=O)NCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(NCc1ccncc1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)NCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 c1cc(ccn1)[*:1] CCCCN(C(=O)NC[*:1])[C@@H]1CCS(=O)(=O)C1
CCCNC(=O)c1cccc(NC(=O)N[C@H]2CCC[C@H](C)C2)c1 CCC[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)Nc1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(NC(=O)N[C@H]2CCC[C@H](C)C2)c1 CCCNC(=O)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)Nc1cccc(c1)[*:1]
CCc1ccc(O)c(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)c1 C1C[C@@H](CO1)[*:1] CCc1ccc(O)c(c1)C(=O)NC[C@H](N1CCOCC1)[*:1]
CCc1ccc(O)c(C(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)c1 C1CN(CCO1)[*:1] CCc1ccc(O)c(c1)C(=O)NC[C@H]([C@H]1CCOC1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1 FC(F)(F)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)NC[C@](O)(c1ccccc1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1 O=[N+]([O-])[*:1] O=S(=O)(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)NC[C@](O)(C(F)(F)F)[*:1]
Cn1cnc(CNC(=O)Nc2cc3c(cc2Cl)OCCCO3)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])Nc1cc2OCCCOc2cc1Cl
Cn1cnc(CNC(=O)Nc2cc3c(cc2Cl)OCCCO3)n1 Cn1cnc(C[*:1])n1 O=C(Nc1cc2OCCCOc2cc1Cl)N[*:1]
C/C(=N\NC(=O)c1ccco1)C(C)C CC(C)[*:1] CC(=NNC(=O)c1ccco1)[*:1]
S=C=Nc1cnn(Cc2ccccc2)c1 S=C=N[*:1] c1ccc(cc1)Cn1cc(cn1)[*:1]
CC[C@@](C)([NH2+]Cc1ccn(C(C)C)n1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@](C)([NH2+]Cc1ccn(n1)C(C)C)[*:1]
CC[C@@](C)([NH2+]Cc1ccn(C(C)C)n1)c1nc(C)cs1 CC(C)[*:1] CC[C@@](C)([NH2+]Cc1ccn(n1)[*:1])c1nc(C)cs1
O=C(C1CCCC1)N1CCC[C@H]2CCC[C@H]21 C1CCC(C1)[*:1] O=C(N1CCC[C@H]2CCC[C@H]21)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC1CC1 C1CC1[*:1] Cc1cc(C)c(c(C)c1C(=O)NCC[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC1CC1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)NCCC1CC1)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC1CC1 C1CC1CC[*:1] Cc1cc(C)c(c(C)c1C(=O)N[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC1CC1 C1CC1C[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[*:1])[N+](=O)[O-]
C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1 N#Cc1ccc(cc1)[*:1] C[C@H]1CN(CCO1)C(=O)c1ccccc1SC[*:1]
CCOC(=O)c1cnc2c(F)cc(Cl)cc2c1O CCOC(=O)[*:1] Oc1c(cnc2c(F)cc(Cl)cc12)[*:1]
Cc1nc2n(n1)C[C@@H]([NH2+]Cc1nnc(C3CC3)n1C)CC2 C1CC1[*:1] Cc1nc2CC[C@@H](Cn2n1)[NH2+]Cc1nnc(n1C)[*:1]
Cc1cc(C)c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1 FC(F)(F)[*:1] Cc1cc(C)c(NS(=O)(=O)c2ccc(cc2)O[*:1])c(C)c1
Cc1cc(C)c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1 FC(F)(F)O[*:1] Cc1cc(C)c(NS(=O)(=O)c2ccc(cc2)[*:1])c(C)c1
CC(C)CCSc1nnc(-c2ccc[nH]2)o1 CC(C)C[*:1] c1c[nH]c(c1)-c1nnc(o1)SC[*:1]
CC(C)CCSc1nnc(-c2ccc[nH]2)o1 CC(C)CC[*:1] c1c[nH]c(c1)-c1nnc(o1)S[*:1]
CC(C)CCSc1nnc(-c2ccc[nH]2)o1 c1c[nH]c(c1)[*:1] CC(C)CCSc1nnc(o1)[*:1]
CC(C)CCSc1nnc(-c2ccc[nH]2)o1 CC(C)[*:1] c1c[nH]c(c1)-c1nnc(o1)SCC[*:1]
CCCC(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCCC(=O)Nc1ccccc1C(=O)N1CCN(CC1)[*:1]
CCCC(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 CCCC(=O)N[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)c1ccccc1
CCCC(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 CCC[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCN(CC1)c1ccccc1
Cc1cc(NC(=O)N[C@@H](C)CCCO)ccc1-n1cnnn1 OCC[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)N[C@@H](C)C[*:1]
Cc1cc(NC(=O)N[C@@H](C)CCCO)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@@H](C)CCCO
Cc1cc(NC(=O)N[C@@H](C)CCCO)ccc1-n1cnnn1 C[C@@H](CCCO)[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)N[*:1]
Cc1cc(NC(=O)N[C@@H](C)CCCO)ccc1-n1cnnn1 OCCC[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)N[C@@H](C)[*:1]
CC[NH+](CC)CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 C1CCN(C1)[*:1] CC[NH+](CC)CC(=O)NCc1cc[nH+]c(c1)[*:1]
O=C(NC1CCCCC1)[C@@H]1Cc2ccccc2CN1C(=O)c1scc2c1OCO2 O=C(NC1CCCCC1)[*:1] O=C(c1scc2OCOc21)N1Cc2ccccc2C[C@H]1[*:1]
O=C(NC1CCCCC1)[C@@H]1Cc2ccccc2CN1C(=O)c1scc2c1OCO2 C1CCC(CC1)[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1scc2OCOc21
CS[C@H]1CC[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C1 CC(C)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)[C@H](NC(=O)OC(C)(C)C)[*:1]
CS[C@H]1CC[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C1 CC(C)(C)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)[C@H](NC(=O)O[*:1])C(C)C
CSc1cccc(NC(=O)CSc2nc([O-])c3c(n2)CC[NH+](Cc2ccc(F)cc2)C3)c1 Fc1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)CSc1nc([O-])c2C[NH+](CCc2n1)C[*:1]
CSc1cccc(NC(=O)CSc2nc([O-])c3c(n2)CC[NH+](Cc2ccc(F)cc2)C3)c1 Fc1ccc(cc1)C[*:1] CSc1cccc(c1)NC(=O)CSc1nc([O-])c2C[NH+](CCc2n1)[*:1]
CSc1cccc(NC(=O)CSc2nc([O-])c3c(n2)CC[NH+](Cc2ccc(F)cc2)C3)c1 CSc1cccc(c1)[*:1] O=C(CSc1nc([O-])c2C[NH+](CCc2n1)Cc1ccc(F)cc1)N[*:1]
CCOCC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 CCOC[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1ccc2OCCOc2c1
CCOCC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 CCOCC(=O)O[*:1] C[C@H](C(=O)Nc1ccc2OCCOc2c1)[*:1]
CCOCC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 CCO[*:1] C[C@@H](OC(=O)C[*:1])C(=O)Nc1ccc2OCCOc2c1
O=C(Cn1cccc1C(=O)[O-])Nc1cccc(Br)c1 O=C([O-])[*:1] O=C(Cn1cccc1[*:1])Nc1cccc(Br)c1
O=C(Nc1ccc(SC(F)F)cc1)c1nc(Cl)ccc1Cl FC(F)[*:1] O=C(Nc1ccc(cc1)S[*:1])c1nc(Cl)ccc1Cl
O=C(Nc1ccc(SC(F)F)cc1)c1nc(Cl)ccc1Cl FC(F)S[*:1] O=C(Nc1ccc(cc1)[*:1])c1nc(Cl)ccc1Cl
CN(C(=O)COc1ccc(CC(N)=O)cc1)c1nccs1 NC(=O)C[*:1] CN(C(=O)COc1ccc(cc1)[*:1])c1nccs1
CN(C(=O)COc1ccc(CC(N)=O)cc1)c1nccs1 NC(=O)[*:1] CN(C(=O)COc1ccc(cc1)C[*:1])c1nccs1
CN(C(=O)COc1ccc(CC(N)=O)cc1)c1nccs1 c1csc(n1)[*:1] CN(C(=O)COc1ccc(cc1)CC(N)=O)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 O=C(C[*:1])N1CCCC1 CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC1)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC1)C[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)N1CCN(CC1)CC(=O)N1CCCC1
CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)N1CCN(CC1)CC(=O)N1CCCC1)[*:1]
COc1ccc(OC)c(NC(=O)c2c(NC(=O)CN3CCOCC3)sc3c2CCC3)c1 O=C(CN1CCOCC1)N[*:1] COc1ccc(OC)c(c1)NC(=O)c1c(sc2CCCc21)[*:1]
COc1ccc(OC)c(NC(=O)c2c(NC(=O)CN3CCOCC3)sc3c2CCC3)c1 C1CN(CCO1)C[*:1] COc1ccc(OC)c(c1)NC(=O)c1c(NC(=O)[*:1])sc2CCCc21
COc1ccc(OC)c(NC(=O)c2c(NC(=O)CN3CCOCC3)sc3c2CCC3)c1 COc1ccc(OC)c(c1)[*:1] O=C(CN1CCOCC1)Nc1sc2CCCc2c1C(=O)N[*:1]
COc1ccc(OC)c(NC(=O)c2c(NC(=O)CN3CCOCC3)sc3c2CCC3)c1 C1CN(CCO1)[*:1] COc1ccc(OC)c(c1)NC(=O)c1c(NC(=O)C[*:1])sc2CCCc21
CN(c1cncc(C[NH2+]C2CC2)n1)C1CCCCCC1 C1CC1[*:1] CN(c1cncc(C[NH2+][*:1])n1)C1CCCCCC1
C[C@@H](CNC(=O)Nc1ccc(F)c(C(N)=O)c1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)Nc1ccc(F)c(c1)C(N)=O)O[*:1]
C[C@@H](CNC(=O)Nc1ccc(F)c(C(N)=O)c1)Oc1ccccc1 NC(=O)[*:1] C[C@@H](CNC(=O)Nc1ccc(F)c(c1)[*:1])Oc1ccccc1
C[C@@H](CNC(=O)Nc1ccc(F)c(C(N)=O)c1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)Nc1ccc(F)c(c1)C(N)=O)[*:1]
CCOc1ccc2c(c1)[C@@H](Br)[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2ccc(cc2[C@H]1Br)[*:1]
CCNC(=O)N1CC[C@H]([NH2+][C@H](CC(C)C)c2ccccc2)C1 CC(C)[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@H](C[*:1])c1ccccc1
CCNC(=O)N1CC[C@H]([NH2+][C@H](CC(C)C)c2ccccc2)C1 c1ccc(cc1)[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@H](CC(C)C)[*:1]
CCNC(=O)N1CC[C@H]([NH2+][C@H](CC(C)C)c2ccccc2)C1 CC(C)C[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@H](c1ccccc1)[*:1]
O=C(C[n+]1ccc2c(c1)CCCC2)NCCC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[n+]1ccc2CCCCc2c1)NCCC(c1ccccc1)[*:1]
Cc1csc(S(=O)(=O)CC(=O)Nc2ccc(F)c(F)c2)n1 Cc1csc(n1)[*:1] O=C(CS(=O)(=O)[*:1])Nc1ccc(F)c(F)c1
Cc1csc(CC(=O)N2CCN(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)n1 Cc1csc(n1)[*:1] O=C(CN1CCN(CC1)C(=O)C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Cc1csc(CC(=O)N2CCN(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)n1 O=S(=O)(N1CCCC1)[*:1] Cc1csc(CC(=O)N2CCN(CC2)CC(=O)Nc2ccc(cc2)[*:1])n1
Cc1csc(CC(=O)N2CCN(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)n1 Cc1csc(C[*:1])n1 O=C(CN1CCN(CC1)C(=O)[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(N[C@@H](CO)c1ccco1)c1c(F)cc(Br)cc1F c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1c(F)cc(Br)cc1F
Clc1ccc(Br)cc1NCc1ccccc1C1CC1 C1CC1[*:1] Clc1ccc(Br)cc1NCc1ccccc1[*:1]
CC(C)(C)[C@@H](CBr)CS(=O)(=O)c1cccc(F)c1 CC(C)(C)[*:1] O=S(=O)(C[C@H](CBr)[*:1])c1cccc(F)c1
C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)o1 C[C@@H]1C[C@@H]1[*:1] CN(Cc1ccc(o1)[*:1])C(=O)[C@@H]1CC(=O)N(C1)C1CCCC1
C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)o1 C1CCC(C1)[*:1] C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(C2)[*:1])o1
COc1nc2ccccc2cc1CNc1cccc(CN(C)C(C)=O)c1 CC(=O)N(C)C[*:1] COc1nc2ccccc2cc1CNc1cccc(c1)[*:1]
COc1nc2ccccc2cc1CNc1cccc(CN(C)C(C)=O)c1 CC(=O)N(C)[*:1] COc1nc2ccccc2cc1CNc1cccc(c1)C[*:1]
O=C1C[C@H]([NH2+]Cc2cccc(O)c2)CN1CC1CCCCC1 C1CCC(CC1)C[*:1] O=C1C[C@@H](CN1[*:1])[NH2+]Cc1cccc(O)c1
O=C1C[C@H]([NH2+]Cc2cccc(O)c2)CN1CC1CCCCC1 Oc1cccc(c1)[*:1] O=C1C[C@@H](CN1CC1CCCCC1)[NH2+]C[*:1]
O=C1C[C@H]([NH2+]Cc2cccc(O)c2)CN1CC1CCCCC1 C1CCC(CC1)[*:1] O=C1C[C@@H](CN1C[*:1])[NH2+]Cc1cccc(O)c1
NC(=O)CCC(=O)c1ccc(Cl)s1 NC(=O)[*:1] O=C(CC[*:1])c1ccc(Cl)s1
NC(=O)CCC(=O)c1ccc(Cl)s1 NC(=O)C[*:1] O=C(C[*:1])c1ccc(Cl)s1
CC[C@H](C)N(C)C(=O)Nc1ccc(C)cc1 CC[C@H](C)[*:1] Cc1ccc(cc1)NC(=O)N(C)[*:1]
Cc1cc(CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)no1 Cc1cc(C[*:1])no1 O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[*:1]
Cc1cc(CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)no1 Cc1cc(no1)[*:1] O=C(C[*:1])Nc1ccccc1-c1nc2ccccc2[nH]1
Cc1cc(=O)n2cc(-c3ccccc3)nc2n1[C@H](C)C(=O)[O-] O=C([O-])[*:1] Cc1cc(=O)n2cc(nc2n1[C@H](C)[*:1])-c1ccccc1
Cc1cc(=O)n2cc(-c3ccccc3)nc2n1[C@H](C)C(=O)[O-] c1ccc(cc1)[*:1] Cc1cc(=O)n2cc(nc2n1[C@H](C)C(=O)[O-])[*:1]
CCOc1ccccc1NC(=O)CN1C=NS(=O)(=O)c2ccccc21 CCO[*:1] O=C(CN1C=NS(=O)(=O)c2ccccc21)Nc1ccccc1[*:1]
CCCCOc1ccccc1CNc1c(C)cccc1C CCCCO[*:1] Cc1cccc(C)c1NCc1ccccc1[*:1]
CCCCOc1ccccc1CNc1c(C)cccc1C CCCC[*:1] Cc1cccc(C)c1NCc1ccccc1O[*:1]
CCCCOc1ccccc1CNc1c(C)cccc1C CCC[*:1] Cc1cccc(C)c1NCc1ccccc1OC[*:1]
CC[C@]1(C)CC(=O)c2c(ccc3oc(C(=O)Nc4ccc(OC)c(OC)c4)c(C)c23)O1 COc1ccc(cc1OC)[*:1] CC[C@]1(C)CC(=O)c2c(ccc3oc(C(=O)N[*:1])c(C)c23)O1
COc1ccc(-c2nnc3c4ccccc4nc(N4CCCN(C(=O)c5ccccc5F)CC4)n23)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccc1F)N1CCCN(CC1)c1nc2ccccc2c2nnc(n12)[*:1]
COc1ccc(-c2nnc3c4ccccc4nc(N4CCCN(C(=O)c5ccccc5F)CC4)n23)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-c1nnc2c3ccccc3nc(N3CCCN(CC3)C(=O)[*:1])n12
Cc1ccccc1SCC(=O)N1CC[NH+](C(C)C)CC1 CC(C)[*:1] Cc1ccccc1SCC(=O)N1CC[NH+](CC1)[*:1]
COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c2oc(cc(=O)c2c1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
O=C(NCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Cn1c(CCNC(=O)[*:1])nc2ccccc21)N1CCOCC1
O=C(NCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1ccc(Br)cc1 O=C(N1CCOCC1)[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])c1ccc(Br)cc1
O=C(NCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1ccc(Br)cc1 O=C(C[*:1])N1CCOCC1 O=C(NCCc1nc2ccccc2n1[*:1])c1ccc(Br)cc1
O=C(NCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1ccc(Br)cc1 O=C(N[*:1])c1ccc(Br)cc1 O=C(Cn1c(CC[*:1])nc2ccccc21)N1CCOCC1
Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)NCc4ccco4)c(=O)n23)c1 c1coc(c1)C[*:1] Cc1cc(C)cc(c1)Nc1nc(C)cc2nn(CC(=O)N[*:1])c(=O)n12
Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)NCc4ccco4)c(=O)n23)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc2nn(CC(=O)NCc3ccco3)c(=O)n2c(n1)N[*:1]
Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)NCc4ccco4)c(=O)n23)c1 O=C(C[*:1])NCc1ccco1 Cc1cc(C)cc(c1)Nc1nc(C)cc2nn(c(=O)n12)[*:1]
Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)NCc4ccco4)c(=O)n23)c1 O=C(NCc1ccco1)[*:1] Cc1cc(C)cc(c1)Nc1nc(C)cc2nn(C[*:1])c(=O)n12
Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)NCc4ccco4)c(=O)n23)c1 Cc1cc(C)cc(c1)N[*:1] Cc1cc2nn(CC(=O)NCc3ccco3)c(=O)n2c(n1)[*:1]
Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)NCc4ccco4)c(=O)n23)c1 c1coc(c1)[*:1] Cc1cc(C)cc(c1)Nc1nc(C)cc2nn(CC(=O)NC[*:1])c(=O)n12
COc1ccc(/C=C/C(=O)C2=C([O-])N(C)[C@@]34CCC[C@@H]3[C@@H]2c2ccccc2O4)cc1 COc1ccc(cc1)[*:1] CN1C([O-])=C(C(=O)C=C[*:1])[C@H]2c3ccccc3O[C@@]13CCC[C@H]23
COc1ccc(/C=C/C(=O)C2=C([O-])N(C)[C@@]34CCC[C@@H]3[C@@H]2c2ccccc2O4)cc1 COc1ccc(C=C[*:1])cc1 CN1C([O-])=C(C(=O)[*:1])[C@H]2c3ccccc3O[C@@]13CCC[C@H]23
CC[C@@H](CSC)N(C)C(=O)[C@@H]1Cc2cccc(F)c2O1 CSC[*:1] CC[C@@H](N(C)C(=O)[C@@H]1Cc2cccc(F)c2O1)[*:1]
Cc1nnc([C@H](NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1nnc([C@H](NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[*:1])n1C
Cc1nnc([C@H](NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c2ccccc2)n1C FC(F)O[*:1] Cc1nnc([C@H](NS(=O)(=O)c2ccc(c(Cl)c2)[*:1])c2ccccc2)n1C
Cc1nnc([C@H](NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c2ccccc2)n1C FC(F)[*:1] Cc1nnc([C@H](NS(=O)(=O)c2ccc(O[*:1])c(Cl)c2)c2ccccc2)n1C
Cc1nnc([C@H](NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c2ccccc2)n1C Cc1nnc(n1C)[*:1] O=S(=O)(N[C@H](c1ccccc1)[*:1])c1ccc(OC(F)F)c(Cl)c1
CCOC(=O)CS[C@H](C(=O)N1CCC(C)CC1)C(C)C CCOC(=O)C[*:1] CC1CCN(CC1)C(=O)[C@@H](S[*:1])C(C)C
CCOC(=O)CS[C@H](C(=O)N1CCC(C)CC1)C(C)C CCOC(=O)[*:1] CC1CCN(CC1)C(=O)[C@@H](SC[*:1])C(C)C
CCOC(=O)CS[C@H](C(=O)N1CCC(C)CC1)C(C)C CC(C)[*:1] CCOC(=O)CS[C@H](C(=O)N1CCC(C)CC1)[*:1]
COC(=O)c1ccc(NC(=S)NC(=O)CC(C)(C)C)cc1 COC(=O)[*:1] CC(C)(C)CC(=O)NC(=S)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=S)NC(=O)CC(C)(C)C)cc1 CC(C)(C)C[*:1] COC(=O)c1ccc(cc1)NC(=S)NC(=O)[*:1]
COC(=O)c1ccc(NC(=S)NC(=O)CC(C)(C)C)cc1 CC(C)(C)[*:1] COC(=O)c1ccc(cc1)NC(=S)NC(=O)C[*:1]
Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 Cc1ccccc1[*:1] C[C@H](NC(=O)N[C@@H]1CC(=O)N(C1)C(C)(C)C)[*:1]
CCC[C@H](O)CNC(=O)NCC1(C)Cc2ccccc2C1 CCC[*:1] CC1(CNC(=O)NC[C@@H](O)[*:1])Cc2ccccc2C1
CCC[C@H](O)CNC(=O)NCC1(C)Cc2ccccc2C1 CCC[C@H](O)[*:1] CC1(CNC(=O)NC[*:1])Cc2ccccc2C1
CCC[C@H](O)CNC(=O)NCC1(C)Cc2ccccc2C1 CCC[C@H](O)C[*:1] CC1(CNC(=O)N[*:1])Cc2ccccc2C1
C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-n2cncn2)cc1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])[NH2+]Cc1ccc(cc1)-n1cncn1
C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(cc1)[*:1]
C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-n2cncn2)cc1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])[NH2+]Cc1ccc(cc1)-n1cncn1
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@H]2CCCC[C@H]21 O=S(=O)(N1CCOCC1)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CC[C@H]2CCCC[C@H]21
COc1ccc(Cc2cc(C(F)(F)F)c3c(N)c(C(=O)NC4CC4)sc3n2)cc1OC O=C(NC1CC1)[*:1] COc1ccc(cc1OC)Cc1cc(c2c(N)c(sc2n1)[*:1])C(F)(F)F
COc1ccc(Cc2cc(C(F)(F)F)c3c(N)c(C(=O)NC4CC4)sc3n2)cc1OC COc1ccc(cc1OC)[*:1] Nc1c(sc2nc(cc(c12)C(F)(F)F)C[*:1])C(=O)NC1CC1
COc1ccc(Cc2cc(C(F)(F)F)c3c(N)c(C(=O)NC4CC4)sc3n2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)Cc1cc(c2c(N)c(sc2n1)C(=O)NC1CC1)[*:1]
COc1ccc(Cc2cc(C(F)(F)F)c3c(N)c(C(=O)NC4CC4)sc3n2)cc1OC C1CC1[*:1] COc1ccc(cc1OC)Cc1cc(c2c(N)c(sc2n1)C(=O)N[*:1])C(F)(F)F
NS(=O)(=O)c1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 C1CCC(CC1)[*:1] NS(=O)(=O)c1cccc(c1)NC(=O)N1CC[NH+](CC1)[*:1]
NS(=O)(=O)c1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 NS(=O)(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CC[NH+](CC1)C1CCCCC1
Cc1cccc(CCNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)c1 Cc1cccc(c1)C[*:1] Cc1c(sc2nc3CCCCn3c(=O)c12)C(=O)NC[*:1]
Cc1cccc(CCNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)c1 Cc1cccc(c1)CC[*:1] Cc1c(sc2nc3CCCCn3c(=O)c12)C(=O)N[*:1]
Cc1cccc(CCNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)c1 Cc1cccc(c1)[*:1] Cc1c(sc2nc3CCCCn3c(=O)c12)C(=O)NCC[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] Cc1cccc(C)c1OC1CCN(CC1)C(=O)NNC(=O)[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1 Cc1cccc(C)c1O[*:1] N#Cc1ccc(cc1)C(=O)NNC(=O)N1CCC(CC1)[*:1]
Cc1cccc(C)c1OC1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)CC1 Cc1cccc(C)c1[*:1] N#Cc1ccc(cc1)C(=O)NNC(=O)N1CCC(CC1)O[*:1]
C[C@@H](NC(=O)COCC[NH3+])[C@H]1CCCO1 [NH3+]CCOC[*:1] C[C@@H](NC(=O)[*:1])[C@H]1CCCO1
C[C@@H](NC(=O)COCC[NH3+])[C@H]1CCCO1 [NH3+]CCO[*:1] C[C@@H](NC(=O)C[*:1])[C@H]1CCCO1
C[C@@H](NC(=O)COCC[NH3+])[C@H]1CCCO1 [NH3+]CC[*:1] C[C@@H](NC(=O)CO[*:1])[C@H]1CCCO1
C[C@@H](NC(=O)COCC[NH3+])[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)COCC[NH3+])[*:1]
C#CCN(CN1CCCCC1=O)[C@@H]1CCc2ccccc21 O=C1CCCCN1[*:1] C#CCN(C[*:1])[C@@H]1CCc2ccccc21
C#CCN(CN1CCCCC1=O)[C@@H]1CCc2ccccc21 C#CC[*:1] O=C1CCCCN1CN([C@@H]1CCc2ccccc21)[*:1]
C#CCOc1cc(CO)cc2occc12 C#CCO[*:1] OCc1cc(c2ccoc2c1)[*:1]
C#CCOc1cc(CO)cc2occc12 C#CC[*:1] OCc1cc(O[*:1])c2ccoc2c1
C[C@@H](SCc1cc(-c2ccc(Cl)cc2)no1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](SCc1cc(no1)-c1ccc(Cl)cc1)[*:1]
C[C@@H](SCc1cc(-c2ccc(Cl)cc2)no1)C(=O)NC(C)(C)C Clc1ccc(cc1)[*:1] C[C@@H](SCc1cc(no1)[*:1])C(=O)NC(C)(C)C
C[C@@H](SCc1cc(-c2ccc(Cl)cc2)no1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](SCc1cc(no1)-c1ccc(Cl)cc1)C(=O)N[*:1]
CCc1sc(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C CCc1sc(cc1C)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(cc1)CNC(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 Cc1noc(C)c1[*:1] NS(=O)(=O)c1ccc(cc1)CNS(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)[*:1]
O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1[*:1]
O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] O=C(NCc1ccco1)[*:1] O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[*:1]
O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] c1coc(c1)[*:1] O=C(NC[*:1])c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]
O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] c1coc(c1)C[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1[nH]nc(c1Cl)[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1[nH]nc(C2CC2)c1Cl Clc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1[nH]nc(c1Cl)C1CC1
C[C@](O)(CNC(=O)NCc1cccc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNC(=O)NCc1cccc2ccccc12)[*:1]
CNC(=O)c1cc(Cl)ccc1NCC(=O)N1C[C@@H](C)C[C@@H](C)C1 CNC(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CNc1ccc(Cl)cc1[*:1]
CN(Cc1c(Cl)cccc1[N+](=O)[O-])CC1CC[NH2+]CC1 O=[N+]([O-])[*:1] CN(Cc1c(Cl)cccc1[*:1])CC1CC[NH2+]CC1
CCCc1noc(CS[C@@H](C)C(=O)OC)n1 CCC[*:1] COC(=O)[C@H](C)SCc1nc(no1)[*:1]
CCCc1noc(CS[C@@H](C)C(=O)OC)n1 COC(=O)[*:1] CCCc1noc(CS[C@@H](C)[*:1])n1
CCCOc1c(Cl)cc([C@@H]2NC(=O)c3ccccc3N2)cc1OC CCC[*:1] COc1cc(cc(Cl)c1O[*:1])[C@@H]1NC(=O)c2ccccc2N1
CCCOc1c(Cl)cc([C@@H]2NC(=O)c3ccccc3N2)cc1OC CCCO[*:1] COc1cc(cc(Cl)c1[*:1])[C@@H]1NC(=O)c2ccccc2N1
Cc1ccc(-c2nc(C)cc(N3CCCC[C@H]3C(=O)[O-])n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(nc(n1)[*:1])N1CCCC[C@H]1C(=O)[O-]
Cc1ccc(-c2nc(C)cc(N3CCCC[C@H]3C(=O)[O-])n2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1nc(C)cc(n1)N1CCCC[C@@H]1[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 Brc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 Brc1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C)[*:1]
Nc1nc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] Nc1nc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)nc(n1)N[*:1]
Nc1nc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] Nc1nc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)nc(n1)[*:1]
Nc1nc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)nc(Nc2ccccc2)n1 C1CCN(CC1)[*:1] Nc1nc(CSc2nnc(n2-c2ccccc2)[*:1])nc(n1)Nc1ccccc1
Nc1nc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] Nc1nc(CSc2nnc(N3CCCCC3)n2[*:1])nc(n1)Nc1ccccc1
CC/C(C=O)=C\c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] CC/C(C=O)=C\c1ccc(o1)[*:1]
CCCCN1CCN(C(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)CC1 CCCC[*:1] Cc1cccc2c(cc(nc12)-c1cccnc1)C(=O)N1CCN(CC1)[*:1]
CCCCN1CCN(C(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)CC1 CCC[*:1] Cc1cccc2c(cc(nc12)-c1cccnc1)C(=O)N1CCN(CC1)C[*:1]
CCCCN1CCN(C(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)CC1 c1cncc(c1)[*:1] CCCCN1CCN(CC1)C(=O)c1cc(nc2c(C)cccc12)[*:1]
CCn1cc[nH+]c1C[C@]1(C(C)C)CCC[NH2+]1 CC(C)[*:1] CCn1cc[nH+]c1C[C@@]1(CCC[NH2+]1)[*:1]
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccc(C)c(Cl)c3)c(C)o2)c1 Cc1ccc(cc1Cl)[*:1] COc1cccc(c1)-c1nc(CS(=O)(=O)CC(=O)N[*:1])c(C)o1
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccc(C)c(Cl)c3)c(C)o2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)CS(=O)(=O)Cc1nc(oc1C)[*:1]
CCCc1cc(NC(=O)c2cc(F)ccc2NC(=O)[C@H]2C[C@H]2C)n(C)n1 CCC[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1cc(nn1C)[*:1]
COc1ccc(-c2ncc(C(=O)N(CC(F)F)C3CC3)s2)cc1 FC(F)[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)N(C[*:1])C1CC1
COc1ccc(-c2ncc(C(=O)N(CC(F)F)C3CC3)s2)cc1 FC(F)C[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)N(C1CC1)[*:1]
COc1ccc(-c2ncc(C(=O)N(CC(F)F)C3CC3)s2)cc1 C1CC1[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)N(CC(F)F)[*:1]
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 O=[N+]([O-])[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)N1CCN(CC1)c1ccccc1
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc(cc1)[N+](=O)[O-])C(=O)N1CCN(CC1)[*:1]
CCCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 CCC[*:1] Cc1ccccc1Cn1c(=O)c2c(nc3n(c(C)c(C)n23)[*:1])n(C)c1=O
CCCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 Cc1ccccc1[*:1] CCCn1c(C)c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CCCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 Cc1ccccc1C[*:1] CCCn1c(C)c(C)n2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3nc(C(C)C)nn3C)c2c1 C1CC1[*:1] Cc1cc(C)c2nc(cc(C(=O)Nc3nc(nn3C)C(C)C)c2c1)[*:1]
Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3nc(C(C)C)nn3C)c2c1 CC(C)[*:1] Cc1cc(C)c2nc(cc(C(=O)Nc3nc(nn3C)[*:1])c2c1)C1CC1
Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3nc(C(C)C)nn3C)c2c1 CC(C)c1nc(n(C)n1)[*:1] Cc1cc(C)c2nc(cc(C(=O)N[*:1])c2c1)C1CC1
O=C(NCC1CCC1)N[C@H]1CCN(CCCc2ccccc2)C1=O C1CC(C1)C[*:1] O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)N[*:1]
O=C(NCC1CCC1)N[C@H]1CCN(CCCc2ccccc2)C1=O c1ccc(cc1)C[*:1] O=C(NCC1CCC1)N[C@H]1CCN(CC[*:1])C1=O
O=C(NCC1CCC1)N[C@H]1CCN(CCCc2ccccc2)C1=O c1ccc(cc1)CC[*:1] O=C(NCC1CCC1)N[C@H]1CCN(C[*:1])C1=O
O=C(NCC1CCC1)N[C@H]1CCN(CCCc2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(NCC1CCC1)N[C@H]1CCN(CCC[*:1])C1=O
O=C(NCC1CCC1)N[C@H]1CCN(CCCc2ccccc2)C1=O C1CC(C1)[*:1] O=C(NC[*:1])N[C@H]1CCN(CCCc2ccccc2)C1=O
COc1ccc(/C=N/n2c(=O)c(C(C)(C)C)nn3cnnc23)cc1 CC(C)(C)[*:1] COc1ccc(/C=N/n2c(=O)c(nn3cnnc23)[*:1])cc1
COc1ccc(/C=N/n2c(=O)c(C(C)(C)C)nn3cnnc23)cc1 COc1ccc(cc1)[*:1] CC(C)(C)c1nn2cnnc2n(N=C[*:1])c1=O
Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)C(C)C)CC2)on1 C1CN(CCO1)[*:1] Cc1cc(on1)-c1cnc(nc1C1CCN(CC1)C(=O)C(C)C)[*:1]
Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)C(C)C)CC2)on1 Cc1cc(on1)[*:1] CC(C)C(=O)N1CCC(CC1)c1nc(ncc1[*:1])N1CCOCC1
Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)C(C)C)CC2)on1 CC(C)[*:1] Cc1cc(on1)-c1cnc(nc1C1CCN(CC1)C(=O)[*:1])N1CCOCC1
COc1ccc(-c2cc(C(=O)NCCc3nc(-c4ccccc4)no3)no2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(no1)C(=O)NCCc1nc(no1)[*:1]
COc1ccc(-c2cc(C(=O)NCCc3nc(-c4ccccc4)no3)no2)cc1 COc1ccc(cc1)[*:1] O=C(NCCc1nc(no1)-c1ccccc1)c1cc(on1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 CC(C)[C@H](NC(N)=O)[*:1] O=C(Nc1ccc2OC3(CCCC3)Oc2c1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 NC(=O)N[*:1] CC(C)[C@H](C(=O)Nc1ccc2OC3(CCCC3)Oc2c1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 CC(C)[*:1] NC(=O)N[C@H](C(=O)Nc1ccc2OC3(CCCC3)Oc2c1)[*:1]
C[C@@H]1OCC[C@@H]1c1nnc(CCC[NH3+])o1 [NH3+]CC[*:1] C[C@@H]1OCC[C@@H]1c1nnc(C[*:1])o1
C[C@@H]1OCC[C@@H]1c1nnc(CCC[NH3+])o1 [NH3+]CCC[*:1] C[C@@H]1OCC[C@@H]1c1nnc(o1)[*:1]
COC[C@H](C)NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O CC(C)[*:1] COC[C@H](C)NC(=O)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
COC[C@H](C)NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O COC[*:1] CC(C)[C@H](C(=O)N[C@@H](C)[*:1])N1C(=O)c2ccccc2C1=O
COC[C@H](C)NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O COC[C@H](C)[*:1] CC(C)[C@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)NS(=O)(=O)[*:1]
Cn1cc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)c(-c2ccccc2)n1 c1cn(C[*:1])nn1 Cn1cc(C(=O)N2CCC[C@@H](C2)[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)c(-c2ccccc2)n1 c1cn(nn1)[*:1] Cn1cc(C(=O)N2CCC[C@H](C2)C[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)N2CCC[C@H](C2)Cn2ccnn2)c(n1)[*:1]
O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCN(CC1)[*:1]
Cc1ccsc1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 CC(C)[*:1] Cc1ccsc1C[NH2+][C@H]1CCO[C@@H](C1)[*:1]
Cc1nc2c(C(=O)[O-])cnn2c(C)c1Cc1ccccc1Br O=C([O-])[*:1] Cc1nc2c(cnn2c(C)c1Cc1ccccc1Br)[*:1]
Cc1nc2c(C(=O)[O-])cnn2c(C)c1Cc1ccccc1Br Brc1ccccc1[*:1] Cc1nc2c(cnn2c(C)c1C[*:1])C(=O)[O-]
COc1cc2c(cc1C[NH+]1CCC(O)(c3ccc(C)cc3)CC1)OCO2 Cc1ccc(cc1)[*:1] COc1cc2OCOc2cc1C[NH+]1CCC(O)(CC1)[*:1]
C[C@H](c1cc2ccccc2o1)N(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] C[C@H](c1cc2ccccc2o1)N(C)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
C[C@H](c1cc2ccccc2o1)N(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 c1ccc2oc(cc2c1)[*:1] C[C@H](N(C)C(=O)C1CCN(CC1)S(=O)(=O)c1cccnc1)[*:1]
COCCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCCC1=O COCCC[*:1] O=C1CCC[C@H]1[C@H]1CCCCN1S(=O)(=O)[*:1]
COCCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCCC1=O COC[*:1] O=C1CCC[C@H]1[C@H]1CCCCN1S(=O)(=O)CC[*:1]
COCCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCCC1=O COCC[*:1] O=C1CCC[C@H]1[C@H]1CCCCN1S(=O)(=O)C[*:1]
COCCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCCC1=O O=C1CCC[C@H]1[*:1] COCCCS(=O)(=O)N1CCCC[C@H]1[*:1]
CN(CC1CC1)C(=O)NCc1cc2ccccc2o1 C1CC1[*:1] CN(C[*:1])C(=O)NCc1cc2ccccc2o1
CN(CC1CC1)C(=O)NCc1cc2ccccc2o1 C1CC1C[*:1] CN(C(=O)NCc1cc2ccccc2o1)[*:1]
CCc1nnsc1C(=O)N1CCN([C@@H](C#N)C2CCCCC2)CC1 CCc1nnsc1[*:1] N#C[C@@H](C1CCCCC1)N1CCN(CC1)C(=O)[*:1]
CCc1nnsc1C(=O)N1CCN([C@@H](C#N)C2CCCCC2)CC1 C1CCC(CC1)[*:1] CCc1nnsc1C(=O)N1CCN(CC1)[C@@H](C#N)[*:1]
COc1cccc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)n1 COc1cccc(n1)[*:1] C[NH+]1CCN(CC1)C[C@H](NC(=O)[*:1])c1ccccc1
COc1cccc(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)n1 c1ccc(cc1)[*:1] COc1cccc(n1)C(=O)N[C@@H](CN1CC[NH+](C)CC1)[*:1]
Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(=O)[nH]1 FC(F)(F)[*:1] Cc1ccc(C(=O)N[C@H]2CCC[C@H](C2)[*:1])c(=O)[nH]1
CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCc3ccccc32)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)NC[C@@H]1CCCc2ccccc21)[*:1]
CCNc1cc2c([nH+]n1)CCN(C(=O)Cc1cn3ccsc3n1)C2 CCN[*:1] O=C(Cc1cn2ccsc2n1)N1CCc2[nH+]nc(cc2C1)[*:1]
CCNc1cc2c([nH+]n1)CCN(C(=O)Cc1cn3ccsc3n1)C2 c1cn2cc(nc2s1)[*:1] CCNc1cc2CN(CCc2[nH+]n1)C(=O)C[*:1]
Cc1cc(OCC(=O)Nc2nc(-c3ccccn3)cs2)no1 Cc1cc(no1)O[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccccn1
Cc1cc(OCC(=O)Nc2nc(-c3ccccn3)cs2)no1 Cc1cc(no1)[*:1] O=C(CO[*:1])Nc1nc(cs1)-c1ccccn1
Cc1cc(OCC(=O)Nc2nc(-c3ccccn3)cs2)no1 c1ccc(nc1)[*:1] Cc1cc(no1)OCC(=O)Nc1nc(cs1)[*:1]
COc1ccc2cc(COC(=O)Cc3cccs3)c(Cl)nc2c1 c1csc(c1)[*:1] COc1ccc2cc(COC(=O)C[*:1])c(Cl)nc2c1
COc1ccc2cc(COC(=O)Cc3cccs3)c(Cl)nc2c1 c1csc(c1)C[*:1] COc1ccc2cc(COC(=O)[*:1])c(Cl)nc2c1
C[C@]12CO[C@]3(C(=O)Nc4ccc(Br)cn4)C[C@H]1CC[C@]23C Brc1ccc(nc1)[*:1] C[C@]12CO[C@@]3(C[C@H]1CC[C@]23C)C(=O)N[*:1]
O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccccc1Cl c1ccc(cc1)[*:1] O=C(Nc1c(nc2sccn12)[*:1])c1ccccc1Cl
O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1c(nc2sccn12)-c1ccccc1)[*:1]
C[C@@H]([NH2+]CC1(C)CCC1)c1cnn(C)c1 CC1(CCC1)[*:1] C[C@@H]([NH2+]C[*:1])c1cnn(C)c1
CC(C)[C@@H](NC(=O)CSc1n[nH]c(=O)n1C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CSc1n[nH]c(=O)n1C)[*:1]
CC(C)[C@@H](NC(=O)CSc1n[nH]c(=O)n1C)c1ccc(F)cc1 CC(C)[*:1] Cn1c(n[nH]c1=O)SCC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)[C@@H](NC(=O)CSc1n[nH]c(=O)n1C)c1ccc(F)cc1 Cn1c(n[nH]c1=O)[*:1] CC(C)[C@@H](NC(=O)CS[*:1])c1ccc(F)cc1
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C1CC1 O=C(NC1CC1)N[*:1] CC(C)[C@H](C)N(C(=O)N[C@H](C)c1ccc(cc1)[*:1])C1CC1
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C1CC1 CC(C)[*:1] C[C@H](N(C(=O)N[C@H](C)c1ccc(cc1)NC(=O)NC1CC1)C1CC1)[*:1]
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C1CC1 C1CC1[*:1] CC(C)[C@H](C)N(C(=O)N[C@H](C)c1ccc(cc1)NC(=O)NC1CC1)[*:1]
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C1CC1 C1CC1[*:1] CC(C)[C@H](C)N(C(=O)N[C@H](C)c1ccc(cc1)NC(=O)N[*:1])C1CC1
CC(C)[C@H](C)N(C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C1CC1 CC(C)[C@H](C)[*:1] C[C@@H](NC(=O)N(C1CC1)[*:1])c1ccc(cc1)NC(=O)NC1CC1
Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 NS(=O)(=O)[*:1] Cc1cc(sc1C(=O)N1CCC[C@H]2CCCC[C@@H]21)[*:1]
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] Cc1cc(Cl)ccc1OCC(=O)NNC(=O)CO[*:1]
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl Cc1cc(Cl)ccc1[*:1] O=C(COc1ccc(Cl)cc1Cl)NNC(=O)CO[*:1]
C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCO2 C[C@@H](O)C[*:1] O=C(c1ccc2OCCc2c1)N1CCCC[C@H]1[*:1]
C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCO2 C[C@@H](O)[*:1] O=C(c1ccc2OCCc2c1)N1CCCC[C@H]1C[*:1]
CC[C@H](C(N)=S)S(=O)(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] CC[C@H](C(N)=S)S(=O)(=O)N(C)C[*:1]
CC[C@H](C(N)=S)S(=O)(=O)N(C)CC(C)(C)O NC(=S)[*:1] CC[C@H](S(=O)(=O)N(C)CC(C)(C)O)[*:1]
CC[C@H](C(N)=S)S(=O)(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] CC[C@H](C(N)=S)S(=O)(=O)N(C)[*:1]
C[C@H](C[NH2+]C[C@H]1CN(C)CCO1)C(N)=O C[C@H](C(N)=O)[*:1] CN1CCO[C@@H](C[NH2+]C[*:1])C1
C[C@H](C[NH2+]C[C@H]1CN(C)CCO1)C(N)=O NC(=O)[*:1] C[C@H](C[NH2+]C[C@H]1CN(C)CCO1)[*:1]
C=CCn1c(SCC(=O)Nc2cccc3nsnc23)nc2sccc2c1=O C=CC[*:1] O=C(CSc1nc2sccc2c(=O)n1[*:1])Nc1cccc2nsnc12
C=CCn1c(SCC(=O)Nc2cccc3nsnc23)nc2sccc2c1=O c1cc(c2nsnc2c1)[*:1] C=CCn1c(nc2sccc2c1=O)SCC(=O)N[*:1]
COc1ccc(F)cc1NCc1cc[nH]c1 c1cc(c[nH]1)[*:1] COc1ccc(F)cc1NC[*:1]
O=c1nc([C@@H]2COCCO2)[nH]c([O-])c1-c1ccccc1Br C1CO[C@@H](CO1)[*:1] O=c1nc([nH]c([O-])c1-c1ccccc1Br)[*:1]
O=c1nc([C@@H]2COCCO2)[nH]c([O-])c1-c1ccccc1Br Brc1ccccc1[*:1] O=c1nc([nH]c([O-])c1[*:1])[C@@H]1COCCO1
COc1cccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 NS(=O)(=O)[*:1] COc1cccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])c1
CCSCC[C@H](C)N(C)C(=O)c1cccc(OC)n1 CCSCC[*:1] COc1cccc(n1)C(=O)N(C)[C@@H](C)[*:1]
CCSCC[C@H](C)N(C)C(=O)c1cccc(OC)n1 CCS[*:1] COc1cccc(n1)C(=O)N(C)[C@@H](C)CC[*:1]
CCSCC[C@H](C)N(C)C(=O)c1cccc(OC)n1 CCSC[*:1] COc1cccc(n1)C(=O)N(C)[C@@H](C)C[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2sccc2Br)C1 Brc1ccsc1[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)CN(C)C(=O)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2sccc2Br)C1 CCOC(=O)[*:1] CN(CC(=O)N1CCC[C@@H](C1)[*:1])C(=O)c1sccc1Br
CC(=O)Nc1ccc(CC(=O)N(C)Cc2ccccc2F)cc1 CC(=O)N[*:1] CN(Cc1ccccc1F)C(=O)Cc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(CC(=O)N(C)Cc2ccccc2F)cc1 Fc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)CC(=O)N(C)C[*:1]
Cc1ccc(CNC(=O)NCC(=O)Nc2c(C)cccc2C)c(N(C)C)c1 Cc1cccc(C)c1[*:1] Cc1ccc(CNC(=O)NCC(=O)N[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)NCC(=O)Nc2c(C)cccc2C)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)NCC(=O)Nc2c(C)cccc2C)c(c1)[*:1]
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2 c1ccc2sc(nc2c1)[*:1] CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2CCN(CCn21)C(=O)CC[*:1]
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2 c1ccc2sc(CC[*:1])nc2c1 CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2CCN(CCn21)C(=O)[*:1]
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2 c1ccc2sc(C[*:1])nc2c1 CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2CCN(CCn21)C(=O)C[*:1]
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2 CC(C)[*:1] O=C(N[C@@H](c1nnc2CCN(CCn21)C(=O)CCc1nc2ccccc2s1)[*:1])c1ccoc1
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2 c1cc(co1)[*:1] CC(C)[C@@H](NC(=O)[*:1])c1nnc2CCN(CCn21)C(=O)CCc1nc2ccccc2s1
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2 O=C(N[*:1])c1ccoc1 CC(C)[C@@H](c1nnc2CCN(CCn21)C(=O)CCc1nc2ccccc2s1)[*:1]
CN(CCOCC1CC1)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] C1CC1CO[*:1] CN(CC[*:1])[C@@H]1CC(C)(C)CC[C@H]1[NH3+]
CN(CCOCC1CC1)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] C1CC1C[*:1] CN(CCO[*:1])[C@@H]1CC(C)(C)CC[C@H]1[NH3+]
CN(CCOCC1CC1)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] C1CC1[*:1] CN(CCOC[*:1])[C@@H]1CC(C)(C)CC[C@H]1[NH3+]
CN(CCOCC1CC1)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] C1CC1COC[*:1] CN(C[*:1])[C@@H]1CC(C)(C)CC[C@H]1[NH3+]
C[C@@H]1SCCN(C(=O)[C@@H]2CCC(=O)O2)[C@H]1c1ccccc1 O=C1CC[C@H](O1)[*:1] C[C@@H]1SCCN(C(=O)[*:1])[C@H]1c1ccccc1
C[C@@H]1SCCN(C(=O)[C@@H]2CCC(=O)O2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1SCCN(C(=O)[C@@H]2CCC(=O)O2)[C@@H]1[*:1]
CN(C)c1ccccc1N(C)S(=O)(=O)CCC1CC1 C1CC1CC[*:1] CN(C)c1ccccc1N(C)S(=O)(=O)[*:1]
CN(C)c1ccccc1N(C)S(=O)(=O)CCC1CC1 CN(C)[*:1] CN(c1ccccc1[*:1])S(=O)(=O)CCC1CC1
CN(C)c1ccccc1N(C)S(=O)(=O)CCC1CC1 C1CC1[*:1] CN(C)c1ccccc1N(C)S(=O)(=O)CC[*:1]
CN(C)c1ccccc1N(C)S(=O)(=O)CCC1CC1 C1CC1C[*:1] CN(C)c1ccccc1N(C)S(=O)(=O)C[*:1]
CC(C)COCC/C([O-])=C(\C#N)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)C[*:1] N#C/C(C(=O)Nc1ccc(F)c(Cl)c1)=C(/[O-])CCO[*:1]
CC(C)COCC/C([O-])=C(\C#N)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)[*:1] N#C/C(C(=O)Nc1ccc(F)c(Cl)c1)=C(/[O-])CCOC[*:1]
CC(C)COCC/C([O-])=C(\C#N)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)COC[*:1] N#C/C(C(=O)Nc1ccc(F)c(Cl)c1)=C(/[O-])C[*:1]
CC(C)COCC/C([O-])=C(\C#N)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)CO[*:1] N#C/C(C(=O)Nc1ccc(F)c(Cl)c1)=C(/[O-])CC[*:1]
CC(C)COCC/C([O-])=C(\C#N)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)COCC[*:1] N#C/C(C(=O)Nc1ccc(F)c(Cl)c1)=C(/[O-])[*:1]
CCN1C(=O)N=C(N)[C@@H]1c1ccccc1OC(F)(F)F FC(F)(F)[*:1] CCN1C(=O)N=C(N)[C@@H]1c1ccccc1O[*:1]
CCN1C(=O)N=C(N)[C@@H]1c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] CCN1C(=O)N=C(N)[C@@H]1c1ccccc1[*:1]
COc1ccc(Cl)cc1COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C COc1ccc(Cl)cc1[*:1] CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OC[*:1]
COc1ccc(Cl)cc1COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C CC(C)[*:1] COc1ccc(Cl)cc1COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2[*:1]
COc1ccc(Cl)cc1COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C COc1ccc(Cl)cc1C[*:1] CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)O[*:1]
CC[NH2+]Cc1ccc(O[C@H](C)C(=O)NC(C)C)cc1 CC(C)[*:1] CC[NH2+]Cc1ccc(cc1)O[C@H](C)C(=O)N[*:1]
CC[NH2+]Cc1ccc(O[C@H](C)C(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] CC[NH2+]Cc1ccc(cc1)O[C@H](C)[*:1]
C#CCN1CCC(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C#CCN1CCC(CC1)C(=O)NC[C@@](C)(O)[*:1]
C#CCN1CCC(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)CC1 C#CC[*:1] C[C@@](O)(CNC(=O)C1CCN(CC1)[*:1])c1ccc(F)cc1
COc1cccc(F)c1[C@H](C)NC(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N1CCOC[C@H]1[*:1]
O=C1CCCN1CCN1CCCc2c1cccc2[N+](=O)[O-] O=C1CCCN1C[*:1] O=[N+]([O-])c1cccc2c1CCCN2C[*:1]
O=C1CCCN1CCN1CCCc2c1cccc2[N+](=O)[O-] O=C1CCCN1[*:1] O=[N+]([O-])c1cccc2c1CCCN2CC[*:1]
O=C1CCCN1CCN1CCCc2c1cccc2[N+](=O)[O-] O=[N+]([O-])[*:1] O=C1CCCN1CCN1CCCc2c1cccc2[*:1]
CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 Cc1ccc(s1)[*:1] CCc1ccccc1NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 CCc1ccccc1[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
C[C@H](NC(=O)N1CC[C@H](c2ccccc2)C1)c1nc(C(C)(C)C)no1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CC[C@H](C1)[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)N1CC[C@H](c2ccccc2)C1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)N1CC[C@@H](C1)c1ccccc1)c1nc(no1)[*:1]
COc1cccc(CO[C@@H](C)C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1 COc1cccc(c1)[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@H](C)OC[*:1]
COc1cccc(CO[C@@H](C)C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1 COc1cccc(c1)C[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@H](C)O[*:1]
COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(Br)c[nH]c1=O O=c1[nH]cc(Br)cc1[*:1] COc1cc(C#N)ccc1OCCCC(=O)N[*:1]
CCc1ccc(NC(=O)Cc2nc(-c3[nH]c(C)c(C(=O)OC)c3C)cs2)cc1 COC(=O)[*:1] CCc1ccc(cc1)NC(=O)Cc1nc(cs1)-c1[nH]c(C)c(c1C)[*:1]
CCc1ccc(NC(=O)Cc2nc(-c3[nH]c(C)c(C(=O)OC)c3C)cs2)cc1 CCc1ccc(cc1)[*:1] COC(=O)c1c(C)[nH]c(-c2csc(CC(=O)N[*:1])n2)c1C
CCOC(=O)C1(C)CCN(C(=O)[C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[C@@H](O)[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@@H](O)c2ccccc2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)[C@@H](O)c1ccccc1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cnc(-c3ccoc3)s2)C1 COC(=O)C(C)(C)[*:1] O=C(c1cnc(s1)-c1ccoc1)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cnc(-c3ccoc3)s2)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)C(=O)c1cnc(s1)-c1ccoc1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cnc(-c3ccoc3)s2)C1 c1cc(co1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)c1cnc(s1)[*:1]
CNC(=O)[C@H](C)N1CCCN(C[C@H](C)C[NH3+])CC1 C[C@H](C[NH3+])C[*:1] CNC(=O)[C@H](C)N1CCCN(CC1)[*:1]
CNC(=O)[C@H](C)N1CCCN(C[C@H](C)C[NH3+])CC1 CNC(=O)[C@H](C)[*:1] C[C@H](C[NH3+])CN1CCCN(CC1)[*:1]
CNC(=O)[C@H](C)N1CCCN(C[C@H](C)C[NH3+])CC1 CNC(=O)[*:1] C[C@H](N1CCCN(CC1)C[C@H](C)C[NH3+])[*:1]
O=C([O-])C1[NH+]=c2ccccc2=[NH+]1 O=C([O-])[*:1] c1ccc2=[NH+]C([NH+]=c2c1)[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCN(CC)C(=O)Cc1ccc(cc1)NC(=O)C[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CCN(CC)C(=O)Cc1ccc(cc1)NC(=O)[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 CCN(CC)C(=O)[*:1] O=C(Cc1ccc(F)cc1)Nc1ccc(cc1)C[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 CCN(CC)C(=O)C[*:1] O=C(Cc1ccc(F)cc1)Nc1ccc(cc1)[*:1]
Cc1cnc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cn1 Cc1cnc(cn1)[*:1] CN(C(=O)[*:1])[C@H]1CCN(C1=O)c1ccccc1Cl
Cc1cnc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cn1 Clc1ccccc1[*:1] Cc1cnc(cn1)C(=O)N(C)[C@H]1CCN(C1=O)[*:1]
C[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H]([NH2+]CC(=O)N1CCCCCC1)[*:1]
COc1cccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 N#Cc1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)S(=O)(=O)[*:1]
COc1cccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 COc1cccc(c1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@H](C#N)N1CCN(CC1)C(=O)[C@H]1CCCCN1C(=O)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 CC(C)[*:1] N#C[C@H](N1CCN(CC1)C(=O)[C@H]1CCCCN1C(=O)c1ccccc1)[*:1]
CN(C(=O)CN1CC[NH+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 C1CCC(CC1)C[*:1] CN(C(=O)CN1CC[NH+](CC1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CN(C(=O)CN1CC[NH+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CN(C(=O)CN1CC[NH+](CC1)CC1CCCCC1)[*:1]
CN(C(=O)CN1CC[NH+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 C1CCC(CC1)[*:1] CN(C(=O)CN1CC[NH+](CC1)C[*:1])c1ccc(cc1)[N+](=O)[O-]
CN(C(=O)CN1CC[NH+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(C(=O)CN1CC[NH+](CC1)CC1CCCCC1)c1ccc(cc1)[*:1]
CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc(C(=O)NC)c1C CNC(=O)[*:1] CCN(Cc1ccc(cc1)C[NH+](C)C)C(=O)Nc1cccc(c1C)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cncc2ccccc12 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1cncc2ccccc12
Cc1nn(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1[*:1]
COc1ccc(C(=O)N2CCC(c3noc4nc(C)cc(C(F)(F)F)c34)CC2)s1 COc1ccc(s1)[*:1] Cc1cc(c2c(noc2n1)C1CCN(CC1)C(=O)[*:1])C(F)(F)F
COc1ccc(C(=O)N2CCC(c3noc4nc(C)cc(C(F)(F)F)c34)CC2)s1 FC(F)(F)[*:1] COc1ccc(s1)C(=O)N1CCC(CC1)c1noc2nc(C)cc(c12)[*:1]
C[C@H](Sc1nncn1C)c1nnc(-c2cccs2)o1 c1csc(c1)[*:1] C[C@H](Sc1nncn1C)c1nnc(o1)[*:1]
C[C@H](Sc1nncn1C)c1nnc(-c2cccs2)o1 Cn1cnnc1[*:1] C[C@H](S[*:1])c1nnc(o1)-c1cccs1
O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2 c1ccc(cc1)CC[*:1] O=C(Nc1nc2c(CCC[C@H]2C(=O)N[*:1])s1)c1ccc2OCOc2c1
O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] O=C(Nc1nc2c(CCC[C@H]2C(=O)NC[*:1])s1)c1ccc2OCOc2c1
O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(NCCc1ccccc1)[C@@H]1CCCc2sc(nc21)NC(=O)[*:1]
O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(Nc1nc2c(CCC[C@H]2C(=O)NCC[*:1])s1)c1ccc2OCOc2c1
CN(Cc1ccccc1)C(=S)Nc1ccc(Br)cc1 c1ccc(cc1)[*:1] CN(C[*:1])C(=S)Nc1ccc(Br)cc1
CC1CCC(Oc2cc(CNc3nccnc3C#N)ccn2)CC1 CC1CCC(CC1)[*:1] N#Cc1nccnc1NCc1ccnc(c1)O[*:1]
CC1CCC(Oc2cc(CNc3nccnc3C#N)ccn2)CC1 CC1CCC(CC1)O[*:1] N#Cc1nccnc1NCc1ccnc(c1)[*:1]
CC1CCC(Oc2cc(CNc3nccnc3C#N)ccn2)CC1 N#Cc1nccnc1[*:1] CC1CCC(CC1)Oc1cc(ccn1)CN[*:1]
CCn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCc1cc(=O)oc2ccc3ccccc3c12
C[C@@H](CC1CC1)NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 C1CC1[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1
C[C@@H](CC1CC1)NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)C[*:1] C[C@@H](CC1CC1)NC(=O)N[C@@H](c1ccccc1)[*:1]
C[C@@H](CC1CC1)NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 C1CC1C[*:1] C[C@@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)[*:1]
C[C@@H](CC1CC1)NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC1CC1)NC(=O)N[C@@H](CS(C)(=O)=O)[*:1]
C[C@@H](CC1CC1)NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)[*:1] C[C@@H](CC1CC1)NC(=O)N[C@@H](C[*:1])c1ccccc1
C[C@@H](CC1CC1)NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 C[C@@H](CC1CC1)[*:1] CS(=O)(=O)C[C@H](NC(=O)N[*:1])c1ccccc1
O=C([O-])[C@@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1 O=C([O-])[*:1] O=C(/C=C/c1cccc(F)c1)N1CCC[C@H](C1)[*:1]
C[NH+](C)[C@@H](CNC(=O)Cc1cc(F)ccc1F)c1ccc(F)cc1 Fc1ccc(F)c(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)C[*:1])c1ccc(F)cc1
C[NH+](C)[C@@H](CNC(=O)Cc1cc(F)ccc1F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Cc1cc(F)ccc1F)[*:1]
CC/[NH+]=C(/NC[C@H](c1ccc(C)o1)N1CCOCC1)N1CC[C@@H](O)C1 Cc1ccc(o1)[*:1] CC/[NH+]=C(/NC[C@H](N1CCOCC1)[*:1])N1CC[C@@H](O)C1
CC/[NH+]=C(/NC[C@H](c1ccc(C)o1)N1CCOCC1)N1CC[C@@H](O)C1 C1CN(CCO1)[*:1] CC/[NH+]=C(/NC[C@H](c1ccc(C)o1)[*:1])N1CC[C@@H](O)C1
Nc1c(Oc2ccc(Br)cc2)ncnc1Oc1cccnc1 c1cncc(c1)[*:1] Nc1c(ncnc1O[*:1])Oc1ccc(Br)cc1
Nc1c(Oc2ccc(Br)cc2)ncnc1Oc1cccnc1 Brc1ccc(cc1)[*:1] Nc1c(ncnc1O[*:1])Oc1cccnc1
Nc1c(Oc2ccc(Br)cc2)ncnc1Oc1cccnc1 c1cncc(c1)O[*:1] Nc1c(ncnc1[*:1])Oc1ccc(Br)cc1
CCC[NH2+][C@@H](C)c1cnn([C@H]2CCOC3(CCCC3)C2)c1 CCC[*:1] C[C@H]([NH2+][*:1])c1cnn(c1)[C@H]1CCOC2(CCCC2)C1
CC[C@@H](CO)[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 CC(C)(C)[*:1] CC[C@@H](CO)[NH+]1CCN(CC1)[C@H]1CCN(C1)C(=O)O[*:1]
C[C@@H]1CCN(C(=O)Nc2cccc(CSC3CCOCC3)c2)C[C@H]1O C1CC(CCO1)SC[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)Nc1cccc(c1)[*:1]
C[C@@H]1CCN(C(=O)Nc2cccc(CSC3CCOCC3)c2)C[C@H]1O C1CC(CCO1)S[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)Nc1cccc(c1)C[*:1]
C[C@@H]1CCN(C(=O)Nc2cccc(CSC3CCOCC3)c2)C[C@H]1O C1CC(CCO1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)Nc1cccc(c1)CS[*:1]
Cc1cc(C)c(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)c(C)c1 O=C(N1CCOCC1)[*:1] Cc1cc(C)c(C(=O)c2ccc(cc2)[*:1])c(C)c1
Cc1cc([C@H](Cl)C(=O)N(C)C)ccc1Br CN(C)C(=O)[*:1] Cc1cc(ccc1Br)[C@H](Cl)[*:1]
N#CCOc1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 N#CC[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccccc1O[*:1]
N#CCOc1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 N#CCO[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccccc1[*:1]
O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCN(C(=O)[C@@H]2CCCO2)CC1 Clc1ccc(cc1)[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
Cc1cccn2c(=O)cc(CSc3ccc(N)nc3)nc12 Nc1ccc(cn1)[*:1] Cc1cccn2c(=O)cc(CS[*:1])nc12
C[C@H](NC(=O)[C@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] C[C@H](NC(=O)[C@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)N[*:1]
C[C@](O)(CC[C@H](O)C1CC1)c1ccccc1 C1CC1[*:1] C[C@](O)(CC[C@H](O)[*:1])c1ccccc1
C[C@](O)(CC[C@H](O)C1CC1)c1ccccc1 O[C@H](C1CC1)[*:1] C[C@](O)(CC[*:1])c1ccccc1
CC(C)NC(=O)CNc1cccc(OCc2ccccc2)c1 CC(C)NC(=O)[*:1] c1ccc(cc1)COc1cccc(c1)NC[*:1]
CC(C)NC(=O)CNc1cccc(OCc2ccccc2)c1 CC(C)[*:1] O=C(CNc1cccc(c1)OCc1ccccc1)N[*:1]
CC(C)NC(=O)CNc1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)NC(=O)CNc1cccc(c1)OC[*:1]
CC(C)NC(=O)CNc1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(C)NC(=O)CNc1cccc(c1)O[*:1]
CC(C)NC(=O)CNc1cccc(OCc2ccccc2)c1 CC(C)NC(=O)C[*:1] c1ccc(cc1)COc1cccc(c1)N[*:1]
CN(Cc1ccccc1)C(=O)c1c(-c2ccccc2)nc2sccn2c1=O c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1c(nc2sccn2c1=O)-c1ccccc1
CN(Cc1ccccc1)C(=O)c1c(-c2ccccc2)nc2sccn2c1=O c1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)c1c(nc2sccn2c1=O)[*:1]
CN(Cc1ccccc1)C(=O)c1c(-c2ccccc2)nc2sccn2c1=O c1ccc(cc1)C[*:1] CN(C(=O)c1c(nc2sccn2c1=O)-c1ccccc1)[*:1]
O=C(Nc1cccc(O)c1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(O)c1)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
O=C(Nc1cccc(O)c1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 Oc1cccc(c1)[*:1] O=C(N[*:1])c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccc(F)cc1
O=C(Nc1cccc(O)c1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 O=C(Nc1cccc(O)c1)[*:1] Fc1ccc(cc1)-c1cc(n2nc(cc2n1)[*:1])C(F)(F)F
O=C(Nc1cccc(O)c1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 FC(F)(F)[*:1] O=C(Nc1cccc(O)c1)c1cc2nc(cc(n2n1)[*:1])-c1ccc(F)cc1
CCc1ccc(-c2nccn2[C@H](C)c2ccco2)nc1 c1coc(c1)[*:1] CCc1ccc(nc1)-c1nccn1[C@H](C)[*:1]
COc1cccc(N2CC[C@H](CNC(=O)c3cnn(C(C)C)c3C)C2)c1 COc1cccc(c1)[*:1] Cc1c(cnn1C(C)C)C(=O)NC[C@H]1CCN(C1)[*:1]
COc1cccc(N2CC[C@H](CNC(=O)c3cnn(C(C)C)c3C)C2)c1 CC(C)[*:1] COc1cccc(c1)N1CC[C@H](CNC(=O)c2cnn(c2C)[*:1])C1
CCc1cc(C)c(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)o1 FC(F)(F)[*:1] CCc1cc(C)c(o1)C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(c1)[*:1]
CCc1cc(C)c(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)o1 CCc1cc(C)c(o1)[*:1] O=C(N1C[C@@H](O)C[C@@H]1c1cccc(c1)C(F)(F)F)[*:1]
C[C@H](CCc1ccccc1F)C(=O)N1CCc2ccccc2CC1 Fc1ccccc1C[*:1] C[C@H](C[*:1])C(=O)N1CCc2ccccc2CC1
C[C@H](CCc1ccccc1F)C(=O)N1CCc2ccccc2CC1 Fc1ccccc1[*:1] C[C@H](CC[*:1])C(=O)N1CCc2ccccc2CC1
O=C(Cc1csc(N2CCCNC2=O)n1)Oc1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(Cc1csc(n1)N1CCCNC1=O)O[*:1]
O=C(Cc1csc(N2CCCNC2=O)n1)Oc1cccc(F)c1F O=C1NCCCN1[*:1] O=C(Cc1csc(n1)[*:1])Oc1cccc(F)c1F
O=C(NCc1ccc(C(F)(F)F)cc1)c1cn[nH]c1-c1ccccc1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cn[nH]c1-c1ccccc1
O=C(NCc1ccc(C(F)(F)F)cc1)c1cn[nH]c1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)c1cn[nH]c1[*:1]
CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1C CCC[*:1] Cc1cc(F)ccc1-c1n[nH]cc1C[NH2+][*:1]
CN(C)S(=O)(=O)c1ccc(O[C@H]2CC[C@H]([NH3+])C2)cc1 CN(C)S(=O)(=O)[*:1] [NH3+][C@H]1CC[C@@H](C1)Oc1ccc(cc1)[*:1]
C[C@H](NC(=O)c1ccc(Cl)nc1)c1nc2ccccc2[nH]1 Clc1ccc(cn1)[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
CCCCNC(=O)N1C[C@H]2CC=CC[C@@H]2C1 CCCC[*:1] O=C(N[*:1])N1C[C@H]2CC=CC[C@@H]2C1
CCCCNC(=O)N1C[C@H]2CC=CC[C@@H]2C1 CCC[*:1] O=C(NC[*:1])N1C[C@H]2CC=CC[C@@H]2C1
COc1cccc2c1OC[C@H](NS(=O)(=O)c1ccc(Cl)nc1)C2 Clc1ccc(cn1)[*:1] COc1cccc2C[C@H](COc21)NS(=O)(=O)[*:1]
O=C1NCCN[C@@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C1NCCN[C@@H]1CC(=O)N1CCN(CC1)[*:1]
CC1(C)C[C@@H]([C@@H](CC[NH3+])c2ccccc2)CCO1 c1ccc(cc1)[*:1] CC1(C)C[C@H](CCO1)[C@@H](CC[NH3+])[*:1]
CCC[C@H]1C[C@@H]1NC(=O)CCCc1ccccn1 CCC[*:1] O=C(CCCc1ccccn1)N[C@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@@H]1NC(=O)CCCc1ccccn1 c1ccc(nc1)[*:1] CCC[C@H]1C[C@@H]1NC(=O)CCC[*:1]
COc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1 Clc1cccc(c1)C[*:1] COc1ccc(/C=N/N=C2\NC(=O)[C@@H](S2)[*:1])cc1
COc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1 COc1ccc(cc1)[*:1] O=C1N/C(=N\N=C[*:1])S[C@@H]1Cc1cccc(Cl)c1
COc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1 Clc1cccc(c1)[*:1] COc1ccc(/C=N/N=C2\NC(=O)[C@@H](C[*:1])S2)cc1
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1c[nH]c2nccc(Cl)c12 Clc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1c[nH]c2nccc(Cl)c12
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1c[nH]c2nccc(Cl)c12 Clc1ccc(cc1)C[*:1] C[C@H](N(C)C(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccccc3)nc12 c1ccc(cc1)O[*:1] Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(nc12)[*:1]
Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccccc3)nc12 O=C(Nc1ccccc1Cl)[*:1] Cc1cccn2c(=O)c(C=C(C#N)[*:1])c(nc12)Oc1ccccc1
Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccccc3)nc12 Clc1ccccc1[*:1] Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[*:1])c(nc12)Oc1ccccc1
Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(nc12)O[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 NC(=O)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](c1ccc(F)cc1)[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](c1cccs1)[*:1])C(N)=O
CCOC(=O)C[C@H](NC(=O)Nc1ccccc1C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)C[C@H](NC(=O)Nc1ccccc1C)[*:1]
CCOC(=O)C[C@H](NC(=O)Nc1ccccc1C)c1ccc(F)cc1 CCOC(=O)[*:1] Cc1ccccc1NC(=O)N[C@@H](C[*:1])c1ccc(F)cc1
CCOC(=O)C[C@H](NC(=O)Nc1ccccc1C)c1ccc(F)cc1 Cc1ccccc1[*:1] CCOC(=O)C[C@H](NC(=O)N[*:1])c1ccc(F)cc1
CCOC(=O)C[C@H](NC(=O)Nc1ccccc1C)c1ccc(F)cc1 CCOC(=O)C[*:1] Cc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)[*:1]
CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2c[nH]c3ccccc23)ccc1C c1ccc2c(c[nH]c2c1)[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1C)NC(=O)C[*:1]
CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2c[nH]c3ccccc23)ccc1C CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)Cc1c[nH]c2ccccc12
Cc1ccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C(COC(=O)c1cc(=O)c2ccccc2o1)N[*:1]
CCn1c(C)cc(C(=O)CSc2nc(C)cs2)c1C Cc1csc(n1)[*:1] CCn1c(C)cc(C(=O)CS[*:1])c1C
CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 Fc1ccc(cc1)[*:1] CC(C)NC(=O)[C@H]1CCCN(C1)C(=O)c1cnn(c1-n1cccc1)[*:1]
CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 CC(C)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 CC(C)NC(=O)[*:1] O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCC[C@@H](C1)[*:1]
CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 c1ccn(c1)[*:1] CC(C)NC(=O)[C@H]1CCCN(C1)C(=O)c1cnn(-c2ccc(F)cc2)c1[*:1]
CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cc(Cl)ccn1 CCOC(=O)[*:1] Clc1ccnc(c1)CN1CC[NH2+]C[C@@H]1[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(CC)sc1SCC CCS[*:1] CCOC(=O)C1=C(C)NC2CCCC(=O)C=2[C@H]1c1cc(CC)sc1[*:1]
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(CC)sc1SCC CCOC(=O)[*:1] CCSc1sc(cc1[C@@H]1C2C(=O)CCCC=2NC(C)=C1[*:1])CC
C[C@@H](NC(=O)NC[C@@H](O)c1ccco1)c1ccc(C#N)cc1 O[C@@H](c1ccco1)[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(C#N)cc1
C[C@@H](NC(=O)NC[C@@H](O)c1ccco1)c1ccc(C#N)cc1 c1coc(c1)[*:1] C[C@@H](NC(=O)NC[C@@H](O)[*:1])c1ccc(C#N)cc1
Cc1ccc(C)c(NC(=O)C[NH+]2CCC(Cn3cc[nH+]c3C(C)C)CC2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)NC(=O)C[NH+]1CCC(CC1)Cn1cc[nH+]c1[*:1]
Cc1ccc(C)c(NC(=O)C[NH+]2CCC(Cn3cc[nH+]c3C(C)C)CC2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)c1[nH+]ccn1CC1CC[NH+](CC1)CC(=O)N[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCSc4ccc(F)cc43)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)C1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCSc4ccc(F)cc43)CC2)cc1 CC(=O)[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)Cc1ncc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)s1 CN(C)[*:1] CC(C)Cc1ncc(C[NH2+][C@@H](C)c2ccc(F)cc2[*:1])s1
CC(C)Cc1ncc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)s1 CC(C)[*:1] C[C@H]([NH2+]Cc1cnc(C[*:1])s1)c1ccc(F)cc1N(C)C
CC(C)Cc1ncc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)s1 CC(C)C[*:1] C[C@H]([NH2+]Cc1cnc(s1)[*:1])c1ccc(F)cc1N(C)C
CC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)C1 Fc1ccc(cc1)[*:1] CC[C@@H]1CCCN(C1)C(=O)c1nn(c2CCCc12)[*:1]
N#C/C(C(=O)NCCc1ccccc1)=c1/s/c(=C/c2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1 O=[N+]([O-])[*:1] N#C/C(C(=O)NCCc1ccccc1)=c1/s/c(=C/c2cccc(c2)[*:1])c(=O)n1-c1ccccc1
N#C/C(C(=O)NCCc1ccccc1)=c1/s/c(=C/c2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] N#C/C(C(=O)NCCc1ccccc1)=c1/s/c(=C/c2cccc(c2)[N+](=O)[O-])c(=O)n1[*:1]
N#C/C(C(=O)NCCc1ccccc1)=c1/s/c(=C/c2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1 c1ccc(cc1)CC[*:1] N#C/C(C(=O)N[*:1])=c1/s/c(=C/c2cccc(c2)[N+](=O)[O-])c(=O)n1-c1ccccc1
N#C/C(C(=O)NCCc1ccccc1)=c1/s/c(=C/c2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1 c1ccc(cc1)C[*:1] N#C/C(C(=O)NC[*:1])=c1/s/c(=C/c2cccc(c2)[N+](=O)[O-])c(=O)n1-c1ccccc1
N#C/C(C(=O)NCCc1ccccc1)=c1/s/c(=C/c2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1 O=C(NCCc1ccccc1)[*:1] N#CC(=c1s/c(=C/c2cccc(c2)[N+](=O)[O-])c(=O)n1-c1ccccc1)[*:1]
N#C/C(C(=O)NCCc1ccccc1)=c1/s/c(=C/c2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] N#C/C(C(=O)NCC[*:1])=c1/s/c(=C/c2cccc(c2)[N+](=O)[O-])c(=O)n1-c1ccccc1
N#C/C(C(=O)NCCc1ccccc1)=c1/s/c(=C/c2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] N#C/C(C(=O)NCCc1ccccc1)=c1/sc(=C[*:1])c(=O)n1-c1ccccc1
CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCCCC4)C3)c2)no1 CCc1nc(no1)[*:1] O=C(NC1CCCCCCC1)[C@@H]1CCCN(C1)S(=O)(=O)c1cc(cs1)[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCCCC4)C3)c2)no1 C1CCCC(CCC1)[*:1] CCc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COCCN(C)C(=O)Nc1cc(OC)ccc1OC COCC[*:1] COc1ccc(OC)c(c1)NC(=O)N(C)[*:1]
COCCN(C)C(=O)Nc1cc(OC)ccc1OC COC[*:1] COc1ccc(OC)c(c1)NC(=O)N(C)C[*:1]
CC[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)C(=O)Nc1ccc(cc1F)C(N)=O)[*:1]
CC[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)c1ccc(C)cc1 NC(=O)[*:1] CC[C@H](NC(=O)C(=O)Nc1ccc(cc1F)[*:1])c1ccc(C)cc1
CC[C@@H](C)Oc1cccc(NC(=O)N(C)C[C@H](O)C2CC2)c1 CC[C@@H](C)[*:1] CN(C[C@H](O)C1CC1)C(=O)Nc1cccc(c1)O[*:1]
CC[C@@H](C)Oc1cccc(NC(=O)N(C)C[C@H](O)C2CC2)c1 O[C@H](C1CC1)[*:1] CC[C@@H](C)Oc1cccc(c1)NC(=O)N(C)C[*:1]
CC[C@@H](C)Oc1cccc(NC(=O)N(C)C[C@H](O)C2CC2)c1 O[C@@H](C[*:1])C1CC1 CC[C@@H](C)Oc1cccc(c1)NC(=O)N(C)[*:1]
CC[C@@H](C)Oc1cccc(NC(=O)N(C)C[C@H](O)C2CC2)c1 C1CC1[*:1] CC[C@@H](C)Oc1cccc(c1)NC(=O)N(C)C[C@H](O)[*:1]
CC[C@@H](C)Oc1cccc(NC(=O)N(C)C[C@H](O)C2CC2)c1 CC[C@@H](C)O[*:1] CN(C[C@H](O)C1CC1)C(=O)Nc1cccc(c1)[*:1]
Cn1nc(C(=O)NCc2cccc(Cl)c2)cc1NC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)CC[*:1])C(=O)NCc1cccc(Cl)c1
Cn1nc(C(=O)NCc2cccc(Cl)c2)cc1NC(=O)CCc1ccccc1 c1ccc(cc1)CC[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)NCc1cccc(Cl)c1
Cn1nc(C(=O)NCc2cccc(Cl)c2)cc1NC(=O)CCc1ccccc1 Clc1cccc(c1)C[*:1] Cn1nc(cc1NC(=O)CCc1ccccc1)C(=O)N[*:1]
Cn1nc(C(=O)NCc2cccc(Cl)c2)cc1NC(=O)CCc1ccccc1 Clc1cccc(c1)[*:1] Cn1nc(cc1NC(=O)CCc1ccccc1)C(=O)NC[*:1]
Cn1nc(C(=O)NCc2cccc(Cl)c2)cc1NC(=O)CCc1ccccc1 c1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)C[*:1])C(=O)NCc1cccc(Cl)c1
O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)-c1cccc(Cl)c1)[C@@H]1CCCN1C(=O)N[*:1]
O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 Clc1cccc(c1)[*:1] O=C(Nc1nnc(s1)[*:1])[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1
C[C@H](Oc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cn1)c1ccccc1 C[C@H](O[*:1])c1ccccc1 CC1(C)Oc2ccc(cc2O1)NC(=O)c1ccc(nc1)[*:1]
C[C@H](Oc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cn1)c1ccccc1 C[C@H](c1ccccc1)[*:1] CC1(C)Oc2ccc(cc2O1)NC(=O)c1ccc(nc1)O[*:1]
C[C@H](Oc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cn1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc(cn1)C(=O)Nc1ccc2OC(C)(C)Oc2c1)[*:1]
Cc1sc2nc(-c3cnn(C)c3)[nH]c(=O)c2c1C Cn1cc(cn1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[*:1]
CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(COC)nn2c1N Brc1ccc(cc1)[*:1] CCOC(=O)c1nnc2c(c(COC)nn2c1N)[*:1]
CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(COC)nn2c1N CCOC(=O)[*:1] COCc1nn2c(N)c(nnc2c1-c1ccc(Br)cc1)[*:1]
CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(COC)nn2c1N COC[*:1] CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(nn2c1N)[*:1]
CC(C)Nc1ccccc1C(=O)NC1CC1 C1CC1[*:1] CC(C)Nc1ccccc1C(=O)N[*:1]
CC(C)Nc1ccccc1C(=O)NC1CC1 CC(C)[*:1] O=C(NC1CC1)c1ccccc1N[*:1]
CC(C)Nc1ccccc1C(=O)NC1CC1 CC(C)N[*:1] O=C(NC1CC1)c1ccccc1[*:1]
O=C([C@H]1CC=CCC1)N1CCC([C@@]2(c3cccnc3)NC(=O)N(CCc3cccs3)C2=O)CC1 c1csc(c1)CC[*:1] O=C([C@H]1CC=CCC1)N1CCC(CC1)[C@]1(NC(=O)N(C1=O)[*:1])c1cccnc1
O=C([C@H]1CC=CCC1)N1CCC([C@@]2(c3cccnc3)NC(=O)N(CCc3cccs3)C2=O)CC1 c1cncc(c1)[*:1] O=C([C@H]1CC=CCC1)N1CCC(CC1)[C@]1(NC(=O)N(CCc2cccs2)C1=O)[*:1]
O=C([C@H]1CC=CCC1)N1CCC([C@@]2(c3cccnc3)NC(=O)N(CCc3cccs3)C2=O)CC1 c1csc(c1)C[*:1] O=C([C@H]1CC=CCC1)N1CCC(CC1)[C@]1(NC(=O)N(C[*:1])C1=O)c1cccnc1
O=C([C@H]1CC=CCC1)N1CCC([C@@]2(c3cccnc3)NC(=O)N(CCc3cccs3)C2=O)CC1 c1csc(c1)[*:1] O=C([C@H]1CC=CCC1)N1CCC(CC1)[C@]1(NC(=O)N(CC[*:1])C1=O)c1cccnc1
CC(C)CCC(=O)NCc1ccccc1Cl CC(C)C[*:1] O=C(C[*:1])NCc1ccccc1Cl
CC(C)CCC(=O)NCc1ccccc1Cl CC(C)[*:1] O=C(CC[*:1])NCc1ccccc1Cl
CC(C)CCC(=O)NCc1ccccc1Cl CC(C)CC[*:1] O=C(NCc1ccccc1Cl)[*:1]
O=C(NNC(=O)c1ccnc2ccccc12)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1ccnc2ccccc12
O=C(Nc1cccnc1)N(CCc1ccccc1)Cc1cccnc1 c1ccc(cc1)[*:1] O=C(Nc1cccnc1)N(CC[*:1])Cc1cccnc1
O=C(Nc1cccnc1)N(CCc1ccccc1)Cc1cccnc1 c1ccc(cc1)C[*:1] O=C(Nc1cccnc1)N(Cc1cccnc1)C[*:1]
O=C(Nc1cccnc1)N(CCc1ccccc1)Cc1cccnc1 c1ccc(cc1)CC[*:1] O=C(Nc1cccnc1)N(Cc1cccnc1)[*:1]
O=C(Nc1cccnc1)N(CCc1ccccc1)Cc1cccnc1 c1cncc(c1)C[*:1] O=C(Nc1cccnc1)N(CCc1ccccc1)[*:1]
O=C(Nc1cccnc1)N(CCc1ccccc1)Cc1cccnc1 c1cncc(c1)[*:1] O=C(N[*:1])N(CCc1ccccc1)Cc1cccnc1
O=C(Nc1cccnc1)N(CCc1ccccc1)Cc1cccnc1 c1cncc(c1)[*:1] O=C(Nc1cccnc1)N(CCc1ccccc1)C[*:1]
CC[C@@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)Nc1cccc(c1)-c1[nH+]ccn1C)[*:1]
Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1Cl)C[*:1] Cn1c(nnc1[C@H]1CCCN1C(=O)c1ccc(Cl)cc1)S[*:1]
Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1Cl)[*:1] Cn1c(nnc1[C@H]1CCCN1C(=O)c1ccc(Cl)cc1)SC[*:1]
Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1c(nnc1[C@H]1CCCN1C(=O)[*:1])SCc1ccc(Cl)c(Cl)c1
Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1Cl)CS[*:1] Cn1c(nnc1[*:1])[C@H]1CCCN1C(=O)c1ccc(Cl)cc1
CCN(CC)C(=O)c1ccc(NC(=O)N(C)CC[C@@H](C)O)cc1Cl CCN(CC)C(=O)[*:1] C[C@@H](O)CCN(C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
O=C(NCc1ccc2c(c1)CCC2)C(=O)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(NCc1ccc2CCCc2c1)C(=O)N[*:1]
O=[N+]([O-])c1c(N2CCC(Cc3ccccc3)CC2)ncnc1N1CCc2ccccc2C1 c1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc2C1)N1CCC(CC1)C[*:1]
O=[N+]([O-])c1c(N2CCC(Cc3ccccc3)CC2)ncnc1N1CCc2ccccc2C1 c1ccc(cc1)C[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc2C1)N1CCC(CC1)[*:1]
O=[N+]([O-])c1c(N2CCC(Cc3ccccc3)CC2)ncnc1N1CCc2ccccc2C1 O=[N+]([O-])[*:1] c1ccc(cc1)CC1CCN(CC1)c1ncnc(c1[*:1])N1CCc2ccccc2C1
O=[N+]([O-])c1c(N2CCC(Cc3ccccc3)CC2)ncnc1N1CCc2ccccc2C1 c1ccc2CN(CCc2c1)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCC(CC1)Cc1ccccc1
C[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)NC[*:1]
C[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)N[*:1]
C[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)NCc1ccco1 c1ccc(cc1)[*:1] C[C@H](Sc1nc2ccccc2n1[*:1])C(=O)NCc1ccco1
C[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)NCc1ccco1 O=C(NCc1ccco1)[*:1] C[C@H](Sc1nc2ccccc2n1-c1ccccc1)[*:1]
COc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1 CC(C)[*:1] COc1ccccc1NC(=O)CSc1nnnn1-c1ccc(cc1)[*:1]
COc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1 COc1ccccc1[*:1] CC(C)c1ccc(cc1)-n1nnnc1SCC(=O)N[*:1]
COc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1 CC(C)c1ccc(cc1)[*:1] COc1ccccc1NC(=O)CSc1nnnn1[*:1]
Cc1ccc(-n2nc(C(=O)N3CCCC3)c(=O)n(Cc3ccccc3)c2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(c1nn(c(=O)n(Cc2ccccc2)c1=O)[*:1])N1CCCC1
Cc1ccc(-n2nc(C(=O)N3CCCC3)c(=O)n(Cc3ccccc3)c2=O)cc1C O=C(N1CCCC1)[*:1] Cc1ccc(cc1C)-n1nc(c(=O)n(Cc2ccccc2)c1=O)[*:1]
Cc1ccc(-n2nc(C(=O)N3CCCC3)c(=O)n(Cc3ccccc3)c2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1nc(C(=O)N2CCCC2)c(=O)n(C[*:1])c1=O
Cc1ccc(-n2nc(C(=O)N3CCCC3)c(=O)n(Cc3ccccc3)c2=O)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)-n1nc(C(=O)N2CCCC2)c(=O)n(c1=O)[*:1]
O=C(OC1CCCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 C1CCC(CC1)[*:1] O=C(O[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
O=c1c2cc3c(=O)n(-c4ccccc4Cl)ccc3nc2ccn1Cc1ccccn1 Clc1ccccc1[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1Cc1ccccn1)[*:1]
O=c1c2cc3c(=O)n(-c4ccccc4Cl)ccc3nc2ccn1Cc1ccccn1 c1ccc(nc1)[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1C[*:1])-c1ccccc1Cl
O=c1c2cc3c(=O)n(-c4ccccc4Cl)ccc3nc2ccn1Cc1ccccn1 c1ccc(C[*:1])nc1 O=c1c2cc3c(=O)n(ccc3nc2ccn1-c1ccccc1Cl)[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 CNC(=O)C[*:1] CO[C@@H]1CC[C@H]2OCCN(Cc3ccccc3O[*:1])[C@H]2C1
CNC(=O)COc1ccccc1CN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 CNC(=O)[*:1] CO[C@@H]1CC[C@H]2OCCN(Cc3ccccc3OC[*:1])[C@H]2C1
CNC(=O)COc1ccccc1CN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 CNC(=O)CO[*:1] CO[C@@H]1CC[C@H]2OCCN(Cc3ccccc3[*:1])[C@H]2C1
CCC[C@H]1CN(C(=O)c2cc(Cl)ccc2OCCOC)CCO1 COCCO[*:1] CCC[C@H]1CN(CCO1)C(=O)c1cc(Cl)ccc1[*:1]
CCC[C@H]1CN(C(=O)c2cc(Cl)ccc2OCCOC)CCO1 COCC[*:1] CCC[C@H]1CN(CCO1)C(=O)c1cc(Cl)ccc1O[*:1]
CCC[C@H]1CN(C(=O)c2cc(Cl)ccc2OCCOC)CCO1 CCC[*:1] COCCOc1ccc(Cl)cc1C(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)c2cc(Cl)ccc2OCCOC)CCO1 COC[*:1] CCC[C@H]1CN(CCO1)C(=O)c1cc(Cl)ccc1OC[*:1]
CC(=O)N[C@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)NCc1ccc(nc1)N1CC[NH+](C)CC1)[*:1]
CC(=O)N[C@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)NCc1ccc(nc1)N1CC[NH+](C)CC1)[*:1]
CC[C@@H](Sc1cc(C)c2cccc(OC)c2n1)C(=O)Nc1c(C#N)cnn1-c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](Sc1cc(C)c2cccc(OC)c2n1)C(=O)Nc1c(C#N)cnn1[*:1]
O=C(c1nc2ccccc2s1)N(CCN1CCOCC1)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(N(CCN1CCOCC1)c1nc2ccccc2s1)[*:1]
O=C(c1nc2ccccc2s1)N(CCN1CCOCC1)c1nc2ccccc2s1 C1CN(CCO1)C[*:1] O=C(c1nc2ccccc2s1)N(C[*:1])c1nc2ccccc2s1
O=C(c1nc2ccccc2s1)N(CCN1CCOCC1)c1nc2ccccc2s1 C1CN(CCO1)CC[*:1] O=C(c1nc2ccccc2s1)N(c1nc2ccccc2s1)[*:1]
O=C(c1nc2ccccc2s1)N(CCN1CCOCC1)c1nc2ccccc2s1 C1CN(CCO1)[*:1] O=C(c1nc2ccccc2s1)N(CC[*:1])c1nc2ccccc2s1
O=C(c1nc2ccccc2s1)N(CCN1CCOCC1)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(c1nc2ccccc2s1)N(CCN1CCOCC1)[*:1]
COc1cccc(CNc2ncnc3sc(C(=O)N(C)[C@H]4CCOC4)c(C)c23)c1 COc1cccc(c1)C[*:1] Cc1c(sc2ncnc(N[*:1])c12)C(=O)N(C)[C@H]1CCOC1
COc1cccc(CNc2ncnc3sc(C(=O)N(C)[C@H]4CCOC4)c(C)c23)c1 COc1cccc(c1)[*:1] Cc1c(sc2ncnc(NC[*:1])c12)C(=O)N(C)[C@H]1CCOC1
CC(C)(C)[C@@H](C#N)NC(=O)c1cc(F)cc2[nH]c(=S)[nH]c12 CC(C)(C)[*:1] N#C[C@@H](NC(=O)c1cc(F)cc2[nH]c(=S)[nH]c12)[*:1]
COCC1=C(C(=O)OC)[C@@H](c2cccc(C)c2)C(C#N)=C(N)O1 COC[*:1] COC(=O)C1=C(OC(N)=C(C#N)[C@@H]1c1cccc(C)c1)[*:1]
COCC1=C(C(=O)OC)[C@@H](c2cccc(C)c2)C(C#N)=C(N)O1 COC(=O)[*:1] COCC1OC(N)=C(C#N)[C@@H](C=1[*:1])c1cccc(C)c1
COCC1=C(C(=O)OC)[C@@H](c2cccc(C)c2)C(C#N)=C(N)O1 Cc1cccc(c1)[*:1] COCC1OC(N)=C(C#N)[C@H](C=1C(=O)OC)[*:1]
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)o1 c1ccc2c(cccc2c1)[*:1] C[C@H]1C[C@@H]1c1ccc(CN(C(=O)[*:1])[C@@H]2CCS(=O)(=O)C2)o1
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)o1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc3ccccc23)[*:1])o1
CSCC(=O)NNC(=O)NCc1cnn(-c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CSCC(=O)NNC(=O)NCc1cnn(c1)[*:1]
CSCC(=O)NNC(=O)NCc1cnn(-c2ccc(Cl)cc2)c1 CSC[*:1] O=C(NCc1cnn(c1)-c1ccc(Cl)cc1)NNC(=O)[*:1]
O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCC1CCN(CC1)C(=O)c1cccnc1)c1ccccc1[*:1]
O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccccc1C(F)(F)F c1cncc(c1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1ccccc1C(F)(F)F
O=C(c1ccc(F)cc1Cl)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 C1CN(CCO1)C[*:1] O=C(c1ccc(F)cc1Cl)N(C[*:1])c1nc2c(F)cccc2s1
O=C(c1ccc(F)cc1Cl)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 C1CN(CCO1)[*:1] O=C(c1ccc(F)cc1Cl)N(CC[*:1])c1nc2c(F)cccc2s1
O=C(c1ccc(F)cc1Cl)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 Fc1ccc(c(Cl)c1)[*:1] O=C(N(CCN1CCOCC1)c1nc2c(F)cccc2s1)[*:1]
O=C(c1ccc(F)cc1Cl)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 C1CN(CCO1)CC[*:1] O=C(c1ccc(F)cc1Cl)N(c1nc2c(F)cccc2s1)[*:1]
C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C)[C@@H](C)n1cccn1 c1cnn(c1)[*:1] C[C@@H]([NH2+]CC(=O)Nc1cc(nn1C)C(C)(C)C)[C@@H](C)[*:1]
C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C)[C@@H](C)n1cccn1 CC(C)(C)[*:1] C[C@@H]([NH2+]CC(=O)Nc1cc(nn1C)[*:1])[C@@H](C)n1cccn1
C=CCS(=O)(=O)/N=C(\[O-])c1cc(F)cc(Br)c1 C=CC[*:1] O=S(=O)(/N=C(\[O-])c1cc(F)cc(Br)c1)[*:1]
COc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(Br)c2)cc1C Brc1cccc(c1)[*:1] COc1ccc(cc1C)NC(=O)C(=O)N[C@H](C)[*:1]
Cc1noc(-c2ccc(C(=O)NC3CCN(S(C)(=O)=O)CC3)cc2)n1 Cc1noc(n1)[*:1] CS(=O)(=O)N1CCC(CC1)NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(Cl)cc1OC(=O)c1csc(C)n1 COC(=O)[*:1] Cc1nc(cs1)C(=O)Oc1cc(Cl)ccc1[*:1]
COC(=O)c1ccc(Cl)cc1OC(=O)c1csc(C)n1 Cc1nc(cs1)[*:1] COC(=O)c1ccc(Cl)cc1OC(=O)[*:1]
Cc1sc2nc(S[C@@H]3CCCCC3=O)n(C)c(=O)c2c1C O=C1CCCC[C@H]1[*:1] Cc1sc2nc(S[*:1])n(C)c(=O)c2c1C
C[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
C[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)[C@@H]1CCOC1 c1cn(nn1)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])[C@@H]1CCOC1
Cc1cccc(CO/N=C/c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)CO/N=C/c1cccc(c1)[*:1]
C[C@H](Oc1ccc(C#N)cc1)/C([O-])=N/S(=O)(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@H](Oc1ccc(C#N)cc1)/C([O-])=N/S(=O)(=O)[*:1]
C[C@H](Oc1ccc(C#N)cc1)/C([O-])=N/S(=O)(=O)Cc1ccc(F)cc1 N#Cc1ccc(cc1)[*:1] C[C@H](O[*:1])/C([O-])=N/S(=O)(=O)Cc1ccc(F)cc1
C[C@H](Oc1ccc(C#N)cc1)/C([O-])=N/S(=O)(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Oc1ccc(C#N)cc1)/C([O-])=N/S(=O)(=O)C[*:1]
Cc1cc([C@@](C)(O)CNC(=O)[C@H](C)Sc2ccccn2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](Sc1ccccn1)C(=O)NC[C@@](C)(O)[*:1]
Cc1cc([C@@](C)(O)CNC(=O)[C@H](C)Sc2ccccn2)c(C)o1 c1ccc(nc1)[*:1] Cc1cc(c(C)o1)[C@@](C)(O)CNC(=O)[C@H](C)S[*:1]
Cc1cc([C@@](C)(O)CNC(=O)[C@H](C)Sc2ccccn2)c(C)o1 c1ccc(nc1)S[*:1] Cc1cc(c(C)o1)[C@@](C)(O)CNC(=O)[C@H](C)[*:1]
CSc1ccc(NC(=O)C2CN(c3nc4ccccc4s3)C2)cc1 CSc1ccc(cc1)[*:1] O=C(N[*:1])C1CN(C1)c1nc2ccccc2s1
O=C(NCCCn1cccn1)N1CCN(Cc2ccccc2)CC1 c1cnn(c1)CC[*:1] O=C(NC[*:1])N1CCN(CC1)Cc1ccccc1
O=C(NCCCn1cccn1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCCCn1cccn1)N1CCN(CC1)C[*:1]
O=C(NCCCn1cccn1)N1CCN(Cc2ccccc2)CC1 c1cnn(c1)CCC[*:1] O=C(N[*:1])N1CCN(CC1)Cc1ccccc1
O=C(NCCCn1cccn1)N1CCN(Cc2ccccc2)CC1 c1cnn(c1)C[*:1] O=C(NCC[*:1])N1CCN(CC1)Cc1ccccc1
O=C(NCCCn1cccn1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(NCCCn1cccn1)N1CCN(CC1)[*:1]
O=C(NCCCn1cccn1)N1CCN(Cc2ccccc2)CC1 c1cnn(c1)[*:1] O=C(NCCC[*:1])N1CCN(CC1)Cc1ccccc1
CCOC(=O)c1cccc(C)c1NC(C)=O CC(=O)N[*:1] CCOC(=O)c1cccc(C)c1[*:1]
CCOC(=O)c1cccc(C)c1NC(C)=O CCOC(=O)[*:1] CC(=O)Nc1c(C)cccc1[*:1]
Cc1nonc1Cn1nnc(N)c1C(C)(C)C CC(C)(C)[*:1] Cc1nonc1Cn1nnc(N)c1[*:1]
N#Cc1cccc(OCCNc2ccc(N3CCOCC3)cc2C(N)=O)c1 NC(=O)[*:1] N#Cc1cccc(c1)OCCNc1ccc(cc1[*:1])N1CCOCC1
N#Cc1cccc(OCCNc2ccc(N3CCOCC3)cc2C(N)=O)c1 N#Cc1cccc(c1)[*:1] NC(=O)c1cc(ccc1NCCO[*:1])N1CCOCC1
N#Cc1cccc(OCCNc2ccc(N3CCOCC3)cc2C(N)=O)c1 C1CN(CCO1)[*:1] N#Cc1cccc(c1)OCCNc1ccc(cc1C(N)=O)[*:1]
N#Cc1cccc(OCCNc2ccc(N3CCOCC3)cc2C(N)=O)c1 N#Cc1cccc(c1)O[*:1] NC(=O)c1cc(ccc1NCC[*:1])N1CCOCC1
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1I)C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1I)[*:1]
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1I)C(=O)[O-] CC(C)(C)[*:1] O=C(N[C@@H](Cc1ccccc1I)C(=O)[O-])O[*:1]
Cc1nc2ccccc2n1CCNC(=O)/C=C/SCc1ccco1 c1coc(c1)C[*:1] Cc1nc2ccccc2n1CCNC(=O)/C=C/S[*:1]
Cc1nc2ccccc2n1CCNC(=O)/C=C/SCc1ccco1 c1coc(c1)[*:1] Cc1nc2ccccc2n1CCNC(=O)/C=C/SC[*:1]
Cc1nc2ccccc2n1CCNC(=O)/C=C/SCc1ccco1 c1coc(c1)CS[*:1] Cc1nc2ccccc2n1CCNC(=O)C=C[*:1]
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ncn(n1)[*:1]
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ncn(-c2ccccc2)n1 Cc1ccc(cc1)[*:1] CCN(C[C@@H](O)[*:1])C(=O)c1ncn(n1)-c1ccccc1
O=C(NCCNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccnc1 O=C(N[*:1])c1cccnc1 O=C(NCC[*:1])[C@H]1CC(=O)N(C1)c1cccc(c1)C(F)(F)F
O=C(NCCNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccnc1 FC(F)(F)[*:1] O=C(NCCNC(=O)[C@H]1CC(=O)N(C1)c1cccc(c1)[*:1])c1cccnc1
O=C(NCCNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccnc1 FC(F)(F)c1cccc(c1)[*:1] O=C(NCCNC(=O)[C@H]1CC(=O)N(C1)[*:1])c1cccnc1
O=C(NCCNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccnc1 c1cncc(c1)[*:1] O=C(NCCNC(=O)[*:1])[C@H]1CC(=O)N(C1)c1cccc(c1)C(F)(F)F
O=C(NCCNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccnc1 O=C(NC[*:1])c1cccnc1 O=C(NC[*:1])[C@H]1CC(=O)N(C1)c1cccc(c1)C(F)(F)F
C/C(=C/c1cccc(Cl)c1)C(=O)N[C@H](CO)c1ccccc1F Clc1cccc(c1)[*:1] CC(=C[*:1])C(=O)N[C@H](CO)c1ccccc1F
C/C(=C/c1cccc(Cl)c1)C(=O)N[C@H](CO)c1ccccc1F Fc1ccccc1[*:1] C/C(=C/c1cccc(Cl)c1)C(=O)N[C@H](CO)[*:1]
O=C(NCCc1cccs1)c1ccc[nH]c1=O c1csc(c1)[*:1] O=C(NCC[*:1])c1ccc[nH]c1=O
O=C([C@@H]1CCC(=O)N(C2CCCCCC2)C1)N1CCc2n[nH]cc2C1 C1CCCC(CC1)[*:1] O=C([C@@H]1CCC(=O)N(C1)[*:1])N1CCc2n[nH]cc2C1
CCC[C@@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCO1 CCC[*:1] O=C(Nc1ccc(cc1)OCC[NH+]1CCCCC1)N1CCO[C@@H](C1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](CC2CCCCC2)[C@@H]1C(=O)[O-] C1CCC(CC1)C[*:1] CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]1C(=O)[O-])[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](CC2CCCCC2)[C@@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@H]1[C@@H](CCCN1C(=O)O[*:1])CC1CCCCC1
CC(C)(C)OC(=O)N1CCC[C@@H](CC2CCCCC2)[C@@H]1C(=O)[O-] C1CCC(CC1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C[*:1])[C@@H]1C(=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@@H](CC2CCCCC2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](CC2CCCCC2)[C@H]1[*:1]
CC(=O)N1CCN(c2ccccc2NC(=O)c2cccnc2Cl)CC1 Clc1ncccc1[*:1] CC(=O)N1CCN(CC1)c1ccccc1NC(=O)[*:1]
Cc1ccc([C@@H](C)NC(=O)NCC[C@H](O)C(C)C)o1 CC(C)[C@@H](O)C[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)NC[*:1]
Cc1ccc([C@@H](C)NC(=O)NCC[C@H](O)C(C)C)o1 CC(C)[C@@H](O)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)NCC[*:1]
Cc1ccc([C@@H](C)NC(=O)NCC[C@H](O)C(C)C)o1 CC(C)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)NCC[C@H](O)[*:1]
Cc1ccc([C@@H](C)NC(=O)NCC[C@H](O)C(C)C)o1 Cc1ccc(o1)[*:1] CC(C)[C@@H](O)CCNC(=O)N[C@H](C)[*:1]
COc1ccc([C@@H](O)[C@H](C)N[C@@H](C)c2cc(F)c(F)c(F)c2)cc1 COc1ccc(cc1)[*:1] C[C@H](N[C@@H](C)[C@H](O)[*:1])c1cc(F)c(F)c(F)c1
COC[C@](C)(NC(=O)Cc1cn(C)c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)Cc1cn(C)c2ccccc12)[*:1]
COC[C@](C)(NC(=O)Cc1cn(C)c2ccccc12)c1ccccc1 COC[*:1] Cn1cc(CC(=O)N[C@@](C)(c2ccccc2)[*:1])c2ccccc21
COc1cc(Br)c(OCC(N)=[NH2+])cc1Br NC(=[NH2+])CO[*:1] COc1cc(Br)c(cc1Br)[*:1]
COc1cc(Br)c(OCC(N)=[NH2+])cc1Br NC(=[NH2+])C[*:1] COc1cc(Br)c(cc1Br)O[*:1]
COc1cc(Br)c(OCC(N)=[NH2+])cc1Br NC(=[NH2+])[*:1] COc1cc(Br)c(cc1Br)OC[*:1]
CN(CCS(C)(=O)=O)C(=O)c1cccc(C(N)=S)c1 NC(=S)[*:1] CN(CCS(C)(=O)=O)C(=O)c1cccc(c1)[*:1]
CN(CCS(C)(=O)=O)C(=O)c1cccc(C(N)=S)c1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)c1cccc(c1)C(N)=S
CN(CCS(C)(=O)=O)C(=O)c1cccc(C(N)=S)c1 CS(=O)(=O)CC[*:1] CN(C(=O)c1cccc(c1)C(N)=S)[*:1]
CN(CCS(C)(=O)=O)C(=O)c1cccc(C(N)=S)c1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)c1cccc(c1)C(N)=S
C[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CCCO OCCC[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC[C@H]1[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CCCO OCC[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[*:1]
CC[C@@H](C)Cn1c([C@@H](C)[NH+]2CCCCCC2)nc2ccccc21 CC[C@@H](C)C[*:1] C[C@H](c1nc2ccccc2n1[*:1])[NH+]1CCCCCC1
CC[C@@H](C)Cn1c([C@@H](C)[NH+]2CCCCCC2)nc2ccccc21 CC[C@@H](C)[*:1] C[C@H](c1nc2ccccc2n1C[*:1])[NH+]1CCCCCC1
COCCn1nc(C)c(NC(=O)NCCCF)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)NCCCF
COCCn1nc(C)c(NC(=O)NCCCF)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)NCCCF)[*:1]
COCCn1nc(C)c(NC(=O)NCCCF)c1C FCCC[*:1] COCCn1nc(C)c(NC(=O)N[*:1])c1C
COCCn1nc(C)c(NC(=O)NCCCF)c1C FCC[*:1] COCCn1nc(C)c(NC(=O)NC[*:1])c1C
COc1ccc(Cl)cc1NC(=O)NC1CC1 C1CC1[*:1] COc1ccc(Cl)cc1NC(=O)N[*:1]
CC(=O)Nc1cc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)ccc1F c1ccc(cc1)C[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)NC[C@H]1CN(CCO1)[*:1]
CC(=O)Nc1cc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)ccc1F c1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)NC[C@H]1CN(CCO1)C[*:1]
CC(=O)Nc1cc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)ccc1F CC(=O)N[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)Nc1ccc(F)c(c1)[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 CC(=O)[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N1CCCCC[C@@H]1C[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 CC(=O)C[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N1CCCCC[C@@H]1[*:1]
O=C(N[C@H]1CCCCNC1=O)c1ccc(N2CCC([NH2+]Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CCCCNC1=O)c1ccc(cc1)N1CCC(CC1)[NH2+][*:1]
O=C(N[C@H]1CCCCNC1=O)c1ccc(N2CCC([NH2+]Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCCCNC1=O)c1ccc(cc1)N1CCC(CC1)[NH2+]C[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1C Cc1ccc(cc1C)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)NC(=O)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CN1C(=O)C[C@H](C(=O)NCCCCC2CCCC2)[C@@H]1c1cccnc1 C1CCC(C1)[*:1] CN1C(=O)C[C@H](C(=O)NCCCC[*:1])[C@@H]1c1cccnc1
CN1C(=O)C[C@H](C(=O)NCCCCC2CCCC2)[C@@H]1c1cccnc1 C1CCC(C1)CC[*:1] CN1C(=O)C[C@H](C(=O)NCC[*:1])[C@@H]1c1cccnc1
CN1C(=O)C[C@H](C(=O)NCCCCC2CCCC2)[C@@H]1c1cccnc1 C1CCC(C1)CCC[*:1] CN1C(=O)C[C@H](C(=O)NC[*:1])[C@@H]1c1cccnc1
CN1C(=O)C[C@H](C(=O)NCCCCC2CCCC2)[C@@H]1c1cccnc1 C1CCC(C1)C[*:1] CN1C(=O)C[C@H](C(=O)NCCC[*:1])[C@@H]1c1cccnc1
CN1C(=O)C[C@H](C(=O)NCCCCC2CCCC2)[C@@H]1c1cccnc1 c1cncc(c1)[*:1] CN1C(=O)C[C@H](C(=O)NCCCCC2CCCC2)[C@H]1[*:1]
Cc1cc(C)cc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ncnc2c1cnn2-c1ccc(C)c(C)c1
Cc1cc(C)cc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)c1 Cc1cc(C)cc(c1)C(=O)N[*:1] Cc1cc(n(n1)-c1ncnc2c1cnn2-c1ccc(C)c(C)c1)[*:1]
Cc1cc(C)cc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] Cc1cc(C)cc(c1)C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2[*:1]
COCCNC(=O)[C@H]1CC(c2ccccc2)=NO1 c1ccc(cc1)[*:1] COCCNC(=O)[C@H]1CC(=NO1)[*:1]
COCCNC(=O)[C@H]1CC(c2ccccc2)=NO1 COC[*:1] O=C(NC[*:1])[C@H]1CC(=NO1)c1ccccc1
COCCNC(=O)[C@H]1CC(c2ccccc2)=NO1 COCC[*:1] O=C(N[*:1])[C@H]1CC(=NO1)c1ccccc1
C[C@@H]1CC[C@]2(CC[NH2+]C[C@@H]2c2ccccc2)[C@H](C)C1 c1ccc(cc1)[*:1] C[C@@H]1CC[C@]2(CC[NH2+]C[C@H]2[*:1])[C@H](C)C1
CCCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3cccc(OC)c3)n2)c1 CCCOc1cccc(c1)[*:1] COc1cccc(c1)-c1cnnc(n1)-n1nc(C)c2c1NC(=O)C[C@@H]2[*:1]
CCCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3cccc(OC)c3)n2)c1 CCCO[*:1] COc1cccc(c1)-c1cnnc(n1)-n1nc(C)c2c1NC(=O)C[C@@H]2c1cccc(c1)[*:1]
CCCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3cccc(OC)c3)n2)c1 CCC[*:1] COc1cccc(c1)-c1cnnc(n1)-n1nc(C)c2c1NC(=O)C[C@@H]2c1cccc(c1)O[*:1]
CCCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3cccc(OC)c3)n2)c1 COc1cccc(c1)[*:1] CCCOc1cccc(c1)[C@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(n1)[*:1]
CC(C)c1ccccc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C CC(C)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1[*:1]
CCc1c(C)sc(NC(=O)Cc2cccc(C)c2)c1C#N Cc1cccc(c1)[*:1] CCc1c(C)sc(NC(=O)C[*:1])c1C#N
O=S(=O)(NC[C@@H](O)c1ccccc1F)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=S(=O)(NC[C@@H](O)c1ccccc1F)[*:1]
Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)s1 Clc1ccc(cc1)[*:1] Cc1ccc(C)n1-c1nnc(s1)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)s1 Cc1ccc(C)n1[*:1] O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C1)c1nnc(s1)[*:1]
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCOc2ccccc21 Clc1ccc(cc1)[*:1] C[C@@H](C[*:1])N(C)C(=O)[C@H]1CCOc2ccccc21
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCOc2ccccc21 Clc1ccc(cc1)C[*:1] C[C@@H](N(C)C(=O)[C@H]1CCOc2ccccc21)[*:1]
Cc1ccc(C(=O)NCc2nnnn2-c2ccccc2)cc1N1CCNC1=O c1ccc(cc1)[*:1] Cc1ccc(cc1N1CCNC1=O)C(=O)NCc1nnnn1[*:1]
Cc1ccc(C(=O)NCc2nnnn2-c2ccccc2)cc1N1CCNC1=O O=C1NCCN1[*:1] Cc1ccc(cc1[*:1])C(=O)NCc1nnnn1-c1ccccc1
O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H](C(=O)c1ccc(Cl)cc1)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 O=C(c1ccc(Cl)cc1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H](c1ccccc1)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H](C(=O)[*:1])c1ccccc1
O=C(COc1ccc2ccc(C(F)(F)F)nc2c1)Nc1ccc2c(c1)OCCCO2 FC(F)(F)[*:1] O=C(COc1ccc2ccc(nc2c1)[*:1])Nc1ccc2OCCCOc2c1
CC(C)Oc1ccc([C@H](C)NC(=O)N(C)C(C)C)cc1 CC(C)O[*:1] CC(C)N(C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)N(C)C(C)C)cc1 CC(C)[*:1] CC(C)N(C)C(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)N(C)C(C)C)cc1 CC(C)[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)N(C)[*:1]
COc1c(Br)cccc1CNC(=O)CCc1ccccc1O Oc1ccccc1[*:1] COc1c(Br)cccc1CNC(=O)CC[*:1]
O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]2CCCC[C@@H]21 O=[N+]([O-])[*:1] O=C(c1n[nH]c2ccc(cc12)[*:1])N1CCC[C@@H]2CCCC[C@@H]21
O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccc2c(=O)[nH]nc([O-])c12 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])Nc1cccc2c(=O)[nH]nc([O-])c12
Cc1c(NC(=O)c2cc(F)ccc2Br)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)c1cc(F)ccc1Br
O=C1O[C@H](c2ccccc2)c2cc3c(cc21)OCCO3 c1ccc(cc1)[*:1] O=C1O[C@H](c2cc3OCCOc3cc21)[*:1]
CNC(=O)C[C@@H]1C(=O)NCCN1CC1=Cc2cccc(OC)c2OC1 CNC(=O)C[*:1] COc1cccc2C=C(COc21)CN1CCNC(=O)[C@H]1[*:1]
CNC(=O)C[C@@H]1C(=O)NCCN1CC1=Cc2cccc(OC)c2OC1 CNC(=O)[*:1] COc1cccc2C=C(COc21)CN1CCNC(=O)[C@H]1C[*:1]
Cc1ocnc1CNC(=O)NCc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] Cc1ocnc1CNC(=O)NCc1ccc(cc1)[*:1]
Cc1ocnc1CNC(=O)NCc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ocnc1CNC(=O)NCc1ccc(cc1)O[*:1]
N#Cc1ccc(NCc2ccc(S(=O)(=O)NCc3ccco3)cc2)nc1 c1coc(c1)C[*:1] N#Cc1ccc(nc1)NCc1ccc(cc1)S(=O)(=O)N[*:1]
N#Cc1ccc(NCc2ccc(S(=O)(=O)NCc3ccco3)cc2)nc1 c1coc(c1)[*:1] N#Cc1ccc(nc1)NCc1ccc(cc1)S(=O)(=O)NC[*:1]
N#Cc1ccc(NCc2ccc(S(=O)(=O)NCc3ccco3)cc2)nc1 N#Cc1ccc(nc1)[*:1] O=S(=O)(NCc1ccco1)c1ccc(cc1)CN[*:1]
C=CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] C=CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc(ccc21)[*:1]
C=CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc([N+](=O)[O-])ccc21 CS(=O)(=O)[*:1] C=CCn1/c(=N/C(=O)c2ccccc2[*:1])sc2cc(ccc21)[N+](=O)[O-]
C=CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc([N+](=O)[O-])ccc21 C=CC[*:1] CS(=O)(=O)c1ccccc1C(=O)/N=c1\sc2cc(ccc2n1[*:1])[N+](=O)[O-]
COCC1CCN(c2ccc(N)c(N)[nH+]2)CC1 COC[*:1] Nc1ccc([nH+]c1N)N1CCC(CC1)[*:1]
COc1ccc2c(c1)C=C(C(=O)NNC(=O)c1ccccc1)CO2 c1ccc(cc1)[*:1] COc1ccc2OCC(=Cc2c1)C(=O)NNC(=O)[*:1]
O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1cccs1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)c1cccs1
O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)[*:1]
O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)N[C@@H](c1cccs1)[*:1]
O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1cccs1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N[C@@H](c1ccccc1)c1cccs1
Cn1c(=O)c2[nH]c(Nc3ccccc3)nc2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)N[*:1]
N#Cc1ccc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NC[*:1])N1CCN(CC1)c1ccccc1Cl
N#Cc1ccc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 Clc1ccccc1[*:1] N#Cc1ccc(cc1)CNC(=O)N1CCN(CC1)[*:1]
C[C@H](NC(=O)c1ccnc(OC2CCCCC2)c1)[C@H]1CCOC1 C1CCC(CC1)O[*:1] C[C@H](NC(=O)c1ccnc(c1)[*:1])[C@H]1CCOC1
C[C@H](NC(=O)c1ccnc(OC2CCCCC2)c1)[C@H]1CCOC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)c1ccnc(c1)O[*:1])[C@H]1CCOC1
C[C@H](NC(=O)c1ccnc(OC2CCCCC2)c1)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@H](NC(=O)c1ccnc(c1)OC1CCCCC1)[*:1]
O=C(CN1CCN(c2ccccc2F)CC1)NC(c1ccccc1)c1ccccc1 Fc1ccccc1[*:1] O=C(CN1CCN(CC1)[*:1])NC(c1ccccc1)c1ccccc1
O=C(CN1CCN(c2ccccc2F)CC1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)c1ccccc1F)NC(c1ccccc1)[*:1]
CC1([C@](C)(O)C2CCOCC2)CC1 CC1(CC1)[*:1] C[C@](O)(C1CCOCC1)[*:1]
C[C@](C#N)(Cc1ccccc1)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@](C#N)(C[*:1])Nc1ccc(Cl)cc1
COc1ccc(/C=C(\C#N)C(=O)Nc2ccco2)cc1O c1coc(c1)[*:1] COc1ccc(/C=C(\C#N)C(=O)N[*:1])cc1O
CC[C@H](C)NC(=O)Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O CC[C@H](C)[*:1] O=C(Cn1cc(ccc1=O)S(=O)(=O)N1CCOCC1)N[*:1]
CC[C@H](C)NC(=O)Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O CC[C@H](C)NC(=O)C[*:1] O=c1ccc(cn1[*:1])S(=O)(=O)N1CCOCC1
CC[C@H](C)NC(=O)Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O CC[C@H](C)NC(=O)[*:1] O=c1ccc(cn1C[*:1])S(=O)(=O)N1CCOCC1
CC[C@@]1(C2CC2)C[NH+]=C(N)N1CCOC C1CC1[*:1] CC[C@]1(C[NH+]=C(N)N1CCOC)[*:1]
CC[C@@]1(C2CC2)C[NH+]=C(N)N1CCOC COC[*:1] CC[C@]1(C[NH+]=C(N)N1C[*:1])C1CC1
CC[C@@]1(C2CC2)C[NH+]=C(N)N1CCOC COCC[*:1] CC[C@]1(C[NH+]=C(N)N1[*:1])C1CC1
C[C@H](OCCCNC(=O)N1CCCCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](OCCCNC(=O)N1CCCCCC1)[*:1]
CCC1=C(C)[C@H](C(=O)N2CCn3nc(C(=O)NCCO)cc3C2)N=N1 OCC[*:1] CCC1N=N[C@@H](C(=O)N2CCn3nc(cc3C2)C(=O)N[*:1])C=1C
CCC1=C(C)[C@H](C(=O)N2CCn3nc(C(=O)NCCO)cc3C2)N=N1 O=C(NCCO)[*:1] CCC1N=N[C@@H](C(=O)N2CCn3nc(cc3C2)[*:1])C=1C
Cn1cc(NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)cn1 Cn1cc(cn1)[*:1] CC(C)(Oc1ccc(cc1)[C@H]1CC1(Cl)Cl)C(=O)N[*:1]
O=C(NCCSC1CCCC1)Nc1ccc[nH+]c1N1CCCC1 C1CCC(C1)[*:1] O=C(NCCS[*:1])Nc1ccc[nH+]c1N1CCCC1
O=C(NCCSC1CCCC1)Nc1ccc[nH+]c1N1CCCC1 C1CCN(C1)[*:1] O=C(NCCSC1CCCC1)Nc1ccc[nH+]c1[*:1]
O=C(NCCSC1CCCC1)Nc1ccc[nH+]c1N1CCCC1 C1CCC(C1)S[*:1] O=C(NCC[*:1])Nc1ccc[nH+]c1N1CCCC1
O=C(NCCSC1CCCC1)Nc1ccc[nH+]c1N1CCCC1 C1CCC(C1)SC[*:1] O=C(NC[*:1])Nc1ccc[nH+]c1N1CCCC1
Cc1ccc(Cl)c(OC[C@@H]2CO2)c1 C1O[C@@H]1C[*:1] Cc1ccc(Cl)c(c1)O[*:1]
Cc1ccc(Cl)c(OC[C@@H]2CO2)c1 C1O[C@@H]1[*:1] Cc1ccc(Cl)c(c1)OC[*:1]
CCn1c(=O)c2sccc2n2c(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)nnc12 Cc1ccc(C)c(c1)[*:1] CCn1c(=O)c2sccc2n2c(CCC(=O)N3CCN(CC3)[*:1])nnc12
COCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(OC)cc2)sc2cc(C)ccc21 COCC[*:1] COc1ccc(cc1)S(=O)(=O)CC(=O)/N=c1\sc2cc(C)ccc2n1[*:1]
COCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(OC)cc2)sc2cc(C)ccc21 COc1ccc(cc1)[*:1] COCCn1/c(=N/C(=O)CS(=O)(=O)[*:1])sc2cc(C)ccc21
COCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(OC)cc2)sc2cc(C)ccc21 COC[*:1] COc1ccc(cc1)S(=O)(=O)CC(=O)/N=c1\sc2cc(C)ccc2n1C[*:1]
CC(C)Oc1cccc([C@@](C)([NH3+])c2ccccc2F)c1 CC(C)O[*:1] C[C@@]([NH3+])(c1cccc(c1)[*:1])c1ccccc1F
CC(C)Oc1cccc([C@@](C)([NH3+])c2ccccc2F)c1 CC(C)[*:1] C[C@@]([NH3+])(c1cccc(c1)O[*:1])c1ccccc1F
CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc32)no1 CCc1nc(C[*:1])no1 O=C1COc2ccc(cc2N1[*:1])S(=O)(=O)N1CCc2ccccc2C1
CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc32)no1 CCc1nc(no1)[*:1] O=C1COc2ccc(cc2N1C[*:1])S(=O)(=O)N1CCc2ccccc2C1
COC(=O)c1cccn1C1CC[NH+](C/C(C)=C/c2ccccc2)CC1 COC(=O)[*:1] C/C(=C\c1ccccc1)C[NH+]1CCC(CC1)n1cccc1[*:1]
COC(=O)c1cccn1C1CC[NH+](C/C(C)=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)c1cccn1C1CC[NH+](CC1)CC(C)=C[*:1]
C[C@@]1(C(=O)NCc2ccccc2)Cc2ccccc2C(=O)N1CC1CC1 C1CC1[*:1] C[C@]1(Cc2ccccc2C(=O)N1C[*:1])C(=O)NCc1ccccc1
C[C@@]1(C(=O)NCc2ccccc2)Cc2ccccc2C(=O)N1CC1CC1 c1ccc(cc1)C[*:1] C[C@]1(Cc2ccccc2C(=O)N1CC1CC1)C(=O)N[*:1]
C[C@@]1(C(=O)NCc2ccccc2)Cc2ccccc2C(=O)N1CC1CC1 c1ccc(cc1)[*:1] C[C@]1(Cc2ccccc2C(=O)N1CC1CC1)C(=O)NC[*:1]
C[C@@]1(C(=O)NCc2ccccc2)Cc2ccccc2C(=O)N1CC1CC1 C1CC1C[*:1] C[C@]1(Cc2ccccc2C(=O)N1[*:1])C(=O)NCc1ccccc1
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Cc1cccc(O)c1 Clc1cccc(c1)[*:1] C[C@@H](N(C)C(=O)Cc1cccc(O)c1)[*:1]
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Cc1cccc(O)c1 Oc1cccc(c1)[*:1] C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C[*:1]
C[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C(C)(C)C CC(C)(C)[*:1] C[NH2+][C@H](C)[C@H]1CCCC[C@H]1[*:1]
Cc1cnc2c(c1)nc([C@H](C)Cl)n2CC(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1cnc2c(c1)nc([C@H](C)Cl)n2C[*:1]
Cc1cnc2c(c1)nc([C@H](C)Cl)n2CC(=O)NC1CC1 C[C@H](Cl)[*:1] Cc1cnc2c(c1)nc(n2CC(=O)NC1CC1)[*:1]
Cc1cnc2c(c1)nc([C@H](C)Cl)n2CC(=O)NC1CC1 C1CC1[*:1] Cc1cnc2c(c1)nc([C@H](C)Cl)n2CC(=O)N[*:1]
C[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2cncnc2)cc1)C[NH+]1CCCC1 c1ncc(cn1)[*:1] C[C@@H](CNC(=O)N[C@@H](C)c1ccc(cc1)[*:1])C[NH+]1CCCC1
CC1=NC(C)=C(C(=O)N2CCCCC2)[C@@H]1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 Cc1cc(ccc1Br)[*:1] CC1=NC(C)=C(C(=O)N2CCCCC2)[C@@H]1S(=O)(=O)[N-][*:1]
CC1=NC(C)=C(C(=O)N2CCCCC2)[C@@H]1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 O=C(N1CCCCC1)[*:1] CC1=NC(C)=C([C@@H]1S(=O)(=O)[N-]c1ccc(Br)c(C)c1)[*:1]
C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCCC3 C=CCNC(=O)CS[*:1] COc1ccccc1-n1c(nc2sc3CCCCc3c2c1=O)[*:1]
C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCCC3 C=CCNC(=O)C[*:1] COc1ccccc1-n1c(nc2sc3CCCCc3c2c1=O)S[*:1]
C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCCC3 COc1ccccc1[*:1] C=CCNC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1[*:1]
C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCCC3 C=CCNC(=O)[*:1] COc1ccccc1-n1c(nc2sc3CCCCc3c2c1=O)SC[*:1]
C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCCC3 C=CC[*:1] COc1ccccc1-n1c(nc2sc3CCCCc3c2c1=O)SCC(=O)N[*:1]
CSc1cccc(CN(C)C(=O)C[NH+]2CCC(C(N)=O)CC2)c1 NC(=O)[*:1] CSc1cccc(c1)CN(C)C(=O)C[NH+]1CCC(CC1)[*:1]
COc1ccc(NC(=O)Cn2nc3c4scc(-c5ccc(F)cc5)c4ncn3c2=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(Cn1nc2c3scc(-c4ccc(F)cc4)c3ncn2c1=O)N[*:1]
COc1ccc(NC(=O)Cn2nc3c4scc(-c5ccc(F)cc5)c4ncn3c2=O)c(OC)c1 Fc1ccc(cc1)[*:1] COc1ccc(NC(=O)Cn2nc3c4scc(c4ncn3c2=O)[*:1])c(c1)OC
CC(=O)Nc1ccc(NC(=O)c2sccc2-c2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(NC(=O)c2sccc2[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)c2sccc2-c2ccccc2)c(Cl)c1 CC(=O)N[*:1] O=C(Nc1ccc(cc1Cl)[*:1])c1sccc1-c1ccccc1
CCc1cccc(S(=O)(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 NS(=O)(=O)[*:1] CCc1cccc(c1)S(=O)(=O)Nc1ccc(C)c(c1)[*:1]
Cc1cccc(C)c1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 Cc1cccc(C)c1[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1cccc(C)c1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] Cc1cccc(C)c1NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1S(=O)(=O)N(C)Cc1ncc(-c2cccc(Cl)c2)o1 Cc1noc(C)c1[*:1] CN(Cc1ncc(o1)-c1cccc(Cl)c1)S(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N(C)Cc1ncc(-c2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] Cc1noc(C)c1S(=O)(=O)N(C)Cc1ncc(o1)[*:1]
O=C(NC1CCSCC1)c1cc2occc2n1Cc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NC1CCSCC1)c1cc2occc2n1C[*:1]
O=C(NC1CCSCC1)c1cc2occc2n1Cc1cccc(F)c1 C1CC(CCS1)[*:1] O=C(N[*:1])c1cc2occc2n1Cc1cccc(F)c1
O=C(NC1CCSCC1)c1cc2occc2n1Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(NC1CCSCC1)c1cc2occc2n1[*:1]
Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1(CC(=O)N2CCOCC2)CCCC1 O=C(N1CCOCC1)[*:1] Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1(CCCC1)C[*:1]
Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1(CC(=O)N2CCOCC2)CCCC1 O=C(C[*:1])N1CCOCC1 Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1(CCCC1)[*:1]
Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1(CC(=O)N2CCOCC2)CCCC1 Cc1[nH]c2ccccc2c1[*:1] O=C(CC1(CCCC1)C(=O)OCC(=O)[*:1])N1CCOCC1
CC(C)C(=O)N1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] CC(C)C(=O)N1CCN(CC1)CC(=O)NC[*:1]
CC(C)C(=O)N1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])NCCc1ccc(F)cc1
CC(C)C(=O)N1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)C(=O)N1CCN(CC1)CC(=O)NCC[*:1]
Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)ccc12 FC(F)(F)[*:1] Cc1[nH]nc2cc(ccc12)[N-]S(=O)(=O)c1ccc(C#N)c(c1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N[*:1]
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 c1coc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 NS(=O)(=O)[*:1] O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CSc1nnc(-c2ccco2)n1[*:1]
CNC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F CNC(=O)[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)[N-]c1cccc(C)c1[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)Cc1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)C[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)Cc1ccncc1 c1cc(ccn1)C[*:1] C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)Cc1ccncc1 c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NNC(=O)Cc1ccncc1
COCCOc1cccc(CN2CCOC3(CCCC3)C2)c1 COC[*:1] c1cc(cc(c1)OC[*:1])CN1CCOC2(CCCC2)C1
COCCOc1cccc(CN2CCOC3(CCCC3)C2)c1 COCC[*:1] c1cc(cc(c1)O[*:1])CN1CCOC2(CCCC2)C1
COCCOc1cccc(CN2CCOC3(CCCC3)C2)c1 COCCO[*:1] c1cc(cc(c1)[*:1])CN1CCOC2(CCCC2)C1
Cc1ccc([C@@H](C)N[C@H](C)c2c(F)cccc2F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@@H](C)N[C@H](C)c1c(F)cccc1F
O=C(Nc1cccc(OC(F)F)c1)c1cccc(N2CCCNC2=O)c1 FC(F)[*:1] O=C(Nc1cccc(c1)O[*:1])c1cccc(c1)N1CCCNC1=O
O=C(Nc1cccc(OC(F)F)c1)c1cccc(N2CCCNC2=O)c1 FC(F)O[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)N1CCCNC1=O
O=C(Nc1cccc(OC(F)F)c1)c1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] O=C(Nc1cccc(c1)OC(F)F)c1cccc(c1)[*:1]
Cc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c(=O)[nH]1 Cc1ccc(c(=O)[nH]1)[*:1] O=C(NNC(=O)[*:1])c1cc2CCCCCc2s1
O=C(CCC1CCCC1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 O=[N+]([O-])[*:1] O=C(CCC1CCCC1)Nc1c(oc2ccccc12)C(=O)Nc1ccc(cc1)[*:1]
O=C(CCC1CCCC1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 C1CCC(C1)C[*:1] O=C(C[*:1])Nc1c(oc2ccccc12)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
O=C(CCC1CCCC1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 C1CCC(C1)[*:1] O=C(CC[*:1])Nc1c(oc2ccccc12)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
O=C(CCC1CCCC1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CCC1CCCC1)Nc1c(oc2ccccc12)C(=O)N[*:1]
O=C(CCC1CCCC1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 C1CCC(C1)CC[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1oc2ccccc2c1NC(=O)[*:1]
O=C(CCC1CCCC1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 O=C(CCC1CCCC1)N[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1oc2ccccc2c1[*:1]
CN(CCC#N)CCOc1ccc2ccccc2c1 N#CCC[*:1] CN(CCOc1ccc2ccccc2c1)[*:1]
CN(CCC#N)CCOc1ccc2ccccc2c1 N#CC[*:1] CN(CCOc1ccc2ccccc2c1)C[*:1]
CN(CCC#N)CCOc1ccc2ccccc2c1 CN(CCC#N)[*:1] c1ccc2cc(ccc2c1)OCC[*:1]
COC(=O)[C@@]1(F)CCN(c2ccc(C#N)cc2F)C1 COC(=O)[*:1] N#Cc1ccc(c(F)c1)N1CC[C@](F)(C1)[*:1]
C[NH2+][C@H](c1ccccn1)[C@H]1CCO[C@]2(CCOC2)C1 c1ccc(nc1)[*:1] C[NH2+][C@H]([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
COc1ccc(-c2nc(C(=O)N[C@H](C)c3cc4ccccc4o3)cs2)cc1OC c1ccc2oc(cc2c1)[*:1] COc1ccc(cc1OC)-c1nc(cs1)C(=O)N[C@H](C)[*:1]
CCN1CCc2nc(NC(=O)c3cnn(Cc4ccccc4)c3)sc2C1 c1ccc(cc1)C[*:1] CCN1CCc2nc(NC(=O)c3cnn(c3)[*:1])sc2C1
CCN1CCc2nc(NC(=O)c3cnn(Cc4ccccc4)c3)sc2C1 c1ccc(cc1)[*:1] CCN1CCc2nc(NC(=O)c3cnn(c3)C[*:1])sc2C1
O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccc(F)cc3)C2)no1 O=C(NC1CCCCC1)[*:1] Fc1ccc(cc1)CN1CCC[C@@H](C1)c1cc(on1)[*:1]
O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccc(F)cc3)C2)no1 C1CCC(CC1)[*:1] O=C(N[*:1])c1cc(no1)[C@H]1CCCN(Cc2ccc(F)cc2)C1
O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccc(F)cc3)C2)no1 Fc1ccc(cc1)[*:1] O=C(NC1CCCCC1)c1cc(no1)[C@H]1CCCN(C1)C[*:1]
O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccc(F)cc3)C2)no1 Fc1ccc(cc1)C[*:1] O=C(NC1CCCCC1)c1cc(no1)[C@H]1CCCN(C1)[*:1]
CC(C)C[C@@H](C)OCc1nc2ccc(N)cc2o1 CC(C)C[*:1] C[C@@H](OCc1nc2ccc(N)cc2o1)[*:1]
CC(C)C[C@@H](C)OCc1nc2ccc(N)cc2o1 CC(C)[*:1] C[C@H](C[*:1])OCc1nc2ccc(N)cc2o1
CC(C)C[C@@H](C)OCc1nc2ccc(N)cc2o1 CC(C)C[C@@H](C)[*:1] Nc1ccc2nc(CO[*:1])oc2c1
Cc1ccc(CNC(=O)C(=O)Nc2cccc3cnccc23)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])C(=O)Nc1cccc2cnccc12
Cc1ccc(CNC(=O)C(=O)Nc2cccc3cnccc23)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1cccc2cnccc12)C(=O)N[*:1]
COC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] COC[C@@H](C)NC(=O)N[C@@H](c1cccs1)[*:1]
COC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] COC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
COC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 COC[*:1] C[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)[*:1]
COC[C@@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 COC[C@@H](C)[*:1] O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)N[*:1]
CN1/C(=C(/C#N)C(=O)CSc2nc(C3CC3)n[nH]2)Nc2ccccc21 C1CC1[*:1] CN1/C(Nc2ccccc21)=C(/C#N)C(=O)CSc1nc(n[nH]1)[*:1]
CN1/C(=C(/C#N)C(=O)CSc2nc(C3CC3)n[nH]2)Nc2ccccc21 C1CC1c1n[nH]c(n1)[*:1] CN1/C(Nc2ccccc21)=C(/C#N)C(=O)CS[*:1]
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1ccc(=O)n(C)n1 Cc1ccsc1[*:1] Cn1nc(ccc1=O)C(=O)N[C@H](Cc1ccccc1)[*:1]
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1ccc(=O)n(C)n1 Cn1nc(ccc1=O)[*:1] Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[*:1]
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1ccc(=O)n(C)n1 c1ccc(cc1)[*:1] Cc1ccsc1[C@@H](C[*:1])NC(=O)c1ccc(=O)n(C)n1
Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1ccc(=O)n(C)n1 c1ccc(cc1)C[*:1] Cc1ccsc1[C@@H](NC(=O)c1ccc(=O)n(C)n1)[*:1]
Cc1cccc(N(CCC(N)=O)C(=O)C[C@@H](C)C(C)C)c1 NC(=O)[*:1] Cc1cccc(c1)N(CC[*:1])C(=O)C[C@@H](C)C(C)C
Cc1cccc(N(CCC(N)=O)C(=O)C[C@@H](C)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)N(CCC(N)=O)C(=O)C[C@@H](C)[*:1]
Cc1cccc(N(CCC(N)=O)C(=O)C[C@@H](C)C(C)C)c1 CC(C)[C@H](C)[*:1] Cc1cccc(c1)N(CCC(N)=O)C(=O)C[*:1]
Cc1cccc(N(CCC(N)=O)C(=O)C[C@@H](C)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@H](C)CC(=O)N(CCC(N)=O)[*:1]
Cc1cccc(N(CCC(N)=O)C(=O)C[C@@H](C)C(C)C)c1 NC(=O)C[*:1] Cc1cccc(c1)N(C[*:1])C(=O)C[C@@H](C)C(C)C
Cc1cccc(N(CCC(N)=O)C(=O)C[C@@H](C)C(C)C)c1 NC(=O)CC[*:1] Cc1cccc(c1)N(C(=O)C[C@@H](C)C(C)C)[*:1]
COc1ccc(N2C[C@@H](c3nnc(NC(=O)CCC4CCCCC4)s3)CC2=O)cc1 C1CCC(CC1)C[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)C[*:1])s1
COc1ccc(N2C[C@@H](c3nnc(NC(=O)CCC4CCCCC4)s3)CC2=O)cc1 C1CCC(CC1)CC[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)[*:1])s1
COc1ccc(N2C[C@@H](c3nnc(NC(=O)CCC4CCCCC4)s3)CC2=O)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)CC[*:1])s1
COc1ccc(N2C[C@@H](c3nnc(NC(=O)CCC4CCCCC4)s3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(CCC1CCCCC1)Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)[C@H](C#N)NC(=O)[C@]1(C)CCCO1 CC(C)[*:1] C[C@]1(CCCO1)C(=O)N[C@@H](C#N)[*:1]
Cc1nnc(S[C@@H](C(N)=O)c2ccccc2)n1N NC(=O)[*:1] Cc1nnc(S[C@@H](c2ccccc2)[*:1])n1N
Cc1nnc(S[C@@H](C(N)=O)c2ccccc2)n1N c1ccc(cc1)[*:1] Cc1nnc(S[C@@H](C(N)=O)[*:1])n1N
O=[N+]([O-])c1ccn(Cn2ccc([N+](=O)[O-])n2)n1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccn(Cn2ccc(n2)[*:1])n1
COc1nc(C)cc(C)c1CNC(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] COc1nc(C)cc(C)c1CNC(=O)Nc1cc(ccc1C)[*:1]
O=C(COCc1ccccc1)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 c1ccc(cc1)CO[*:1] O=C(C[*:1])N1CCN(CC1)C1c2ccccc2CCc2ccccc21
O=C(COCc1ccccc1)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 c1ccc(cc1)COC[*:1] O=C(N1CCN(CC1)C1c2ccccc2CCc2ccccc21)[*:1]
O=C(COCc1ccccc1)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 c1ccc(cc1)C[*:1] O=C(CO[*:1])N1CCN(CC1)C1c2ccccc2CCc2ccccc21
O=C(COCc1ccccc1)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 c1ccc(cc1)[*:1] O=C(COC[*:1])N1CCN(CC1)C1c2ccccc2CCc2ccccc21
C[C@H]([NH2+][C@@H](C)[C@@H](C)CO)c1nc2ccccc2n1C C[C@@H](CO)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1nc2ccccc2n1C
COc1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1[*:1])NC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2
CCC(CC)[C@@H](C[NH3+])SC1CCCCC1 CCC(CC)[*:1] [NH3+]C[C@@H](SC1CCCCC1)[*:1]
CCCN(Cc1cccnc1)C(=O)c1sccc1C CCC[*:1] Cc1ccsc1C(=O)N(Cc1cccnc1)[*:1]
CCCN(Cc1cccnc1)C(=O)c1sccc1C Cc1ccsc1[*:1] CCCN(Cc1cccnc1)C(=O)[*:1]
CCCN(Cc1cccnc1)C(=O)c1sccc1C c1cncc(c1)[*:1] CCCN(C[*:1])C(=O)c1sccc1C
C=CCN1C(=O)/C(=C/c2ccc(C)cc2)S/C1=N/c1nccs1 c1csc(n1)[*:1] C=CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=N[*:1]
C=CCN1C(=O)/C(=C/c2ccc(C)cc2)S/C1=N/c1nccs1 C=CC[*:1] Cc1ccc(/C=C2\S/C(=N/c3nccs3)N(C2=O)[*:1])cc1
C=CCN1C(=O)/C(=C/c2ccc(C)cc2)S/C1=N/c1nccs1 Cc1ccc(cc1)[*:1] C=CCN1C(=O)C(=C[*:1])S/C1=N/c1nccs1
COc1ccc(CN2C[C@H](C(=O)N[C@H]3CC[C@@H]([NH+](C)C)C3)CC2=O)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
COc1ccc(F)cc1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 C1CC1[*:1] COc1ccc(F)cc1C(=O)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
COc1ccc(F)cc1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 C1CC1C[*:1] COc1ccc(F)cc1C(=O)N1CC[C@]2(CCCN(C2=O)[*:1])C1
Cc1cc([C@@H]2[C@@H](C[NH2+]C3CC3)OCCN2C)ccc1Br C1CC1[*:1] Cc1cc(ccc1Br)[C@@H]1[C@@H](C[NH2+][*:1])OCCN1C
CCCN1CCC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 CCC[*:1] c1cnc(cn1)Oc1ccc(cc1)C[NH+]1CCCN(CC1)[*:1]
CCCN1CCC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 c1cnc(cn1)O[*:1] CCCN1CCC[NH+](CC1)Cc1ccc(cc1)[*:1]
CCCN1CCC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 c1cnc(cn1)[*:1] CCCN1CCC[NH+](CC1)Cc1ccc(cc1)O[*:1]
O=C(NCCNC(=O)C1CC1)C(=O)Nc1ccccc1-c1ccccc1 O=C(NC[*:1])C1CC1 O=C(NC[*:1])C(=O)Nc1ccccc1-c1ccccc1
O=C(NCCNC(=O)C1CC1)C(=O)Nc1ccccc1-c1ccccc1 C1CC1[*:1] O=C(NCCNC(=O)[*:1])C(=O)Nc1ccccc1-c1ccccc1
O=C(NCCNC(=O)C1CC1)C(=O)Nc1ccccc1-c1ccccc1 O=C(N[*:1])C1CC1 O=C(NCC[*:1])C(=O)Nc1ccccc1-c1ccccc1
O=C(NCCNC(=O)C1CC1)C(=O)Nc1ccccc1-c1ccccc1 O=C(NCC[*:1])C1CC1 O=C(Nc1ccccc1-c1ccccc1)C(=O)N[*:1]
O=C(NCCNC(=O)C1CC1)C(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCNC(=O)C1CC1)C(=O)Nc1ccccc1[*:1]
Cc1ccc(C)n1N[C@@H](c1cccs1)C1CCCC1 c1csc(c1)[*:1] Cc1ccc(C)n1N[C@@H](C1CCCC1)[*:1]
Cc1ccc(C)n1N[C@@H](c1cccs1)C1CCCC1 C1CCC(C1)[*:1] Cc1ccc(C)n1N[C@@H](c1cccs1)[*:1]
O=C(NCCN1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 C1CN(CCO1)CC[*:1] O=C(N[*:1])c1cc(nn1-c1ccccc1)-c1ccco1
O=C(NCCN1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 C1CN(CCO1)C[*:1] O=C(NC[*:1])c1cc(nn1-c1ccccc1)-c1ccco1
O=C(NCCN1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 c1coc(c1)[*:1] O=C(NCCN1CCOCC1)c1cc(nn1-c1ccccc1)[*:1]
O=C(NCCN1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)c1cc(nn1[*:1])-c1ccco1
O=C(NCCN1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 C1CN(CCO1)[*:1] O=C(NCC[*:1])c1cc(nn1-c1ccccc1)-c1ccco1
Cc1cc(Br)ccc1OCC(=O)NC(=S)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1cc(Br)ccc1OCC(=O)NC(=S)N[*:1]
Cc1cc(Br)ccc1OCC(=O)NC(=S)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1cc(Br)ccc1OCC(=O)NC(=S)NC[*:1]
CC(C)(O)CNC(=O)C1(c2ccc(F)cc2F)CCCC1 CC(C)(O)C[*:1] O=C(N[*:1])C1(CCCC1)c1ccc(F)cc1F
CC(C)(O)CNC(=O)C1(c2ccc(F)cc2F)CCCC1 CC(C)(O)[*:1] O=C(NC[*:1])C1(CCCC1)c1ccc(F)cc1F
N#CCCCOc1cccc(CN2CCN(C(=O)c3ccccc3O)CC2)c1 N#CCCCO[*:1] O=C(c1ccccc1O)N1CCN(CC1)Cc1cccc(c1)[*:1]
N#CCCCOc1cccc(CN2CCN(C(=O)c3ccccc3O)CC2)c1 N#CCCC[*:1] O=C(c1ccccc1O)N1CCN(CC1)Cc1cccc(c1)O[*:1]
N#CCCCOc1cccc(CN2CCN(C(=O)c3ccccc3O)CC2)c1 Oc1ccccc1[*:1] N#CCCCOc1cccc(c1)CN1CCN(CC1)C(=O)[*:1]
N#CCCCOc1cccc(CN2CCN(C(=O)c3ccccc3O)CC2)c1 N#CCC[*:1] O=C(c1ccccc1O)N1CCN(CC1)Cc1cccc(c1)OC[*:1]
N#CCCCOc1cccc(CN2CCN(C(=O)c3ccccc3O)CC2)c1 N#CC[*:1] O=C(c1ccccc1O)N1CCN(CC1)Cc1cccc(c1)OCC[*:1]
O=[N+]([O-])c1c(N2CCN(c3cccc(Cl)c3)CC2)ncnc1-n1cnc2ccccc21 c1ccc2c(c1)ncn2[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=[N+]([O-])c1c(N2CCN(c3cccc(Cl)c3)CC2)ncnc1-n1cnc2ccccc21 O=[N+]([O-])[*:1] Clc1cccc(c1)N1CCN(CC1)c1ncnc(c1[*:1])-n1cnc2ccccc21
O=[N+]([O-])c1c(N2CCN(c3cccc(Cl)c3)CC2)ncnc1-n1cnc2ccccc21 Clc1cccc(c1)[*:1] O=[N+]([O-])c1c(ncnc1-n1cnc2ccccc21)N1CCN(CC1)[*:1]
CC[C@@H](CC#N)NC(=O)[C@@]1(C)CCCO1 N#CC[*:1] CC[C@@H](NC(=O)[C@@]1(C)CCCO1)[*:1]
Cc1nc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)c(C)c(C)[nH+]1 c1cc(ccn1)[*:1] Cc1nc(c(C)c(C)[nH+]1)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
Cc1nc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)c(C)c(C)[nH+]1 c1cc(ccn1)C[*:1] Cc1nc(c(C)c(C)[nH+]1)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
Cc1nc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)c(C)c(C)[nH+]1 Cc1nc(c(C)c(C)[nH+]1)[*:1] c1cc(ccn1)Cn1cc[nH+]c1[C@@H]1CCCN(C1)[*:1]
C[C@@H](OC(=O)Cn1nc2ccccn2c1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](OC(=O)Cn1nc2ccccn2c1=O)[*:1]
CCCC(=O)Nc1nc2ccc(CC(=O)NCc3ccco3)cc2s1 c1coc(c1)C[*:1] CCCC(=O)Nc1nc2ccc(cc2s1)CC(=O)N[*:1]
CCCC(=O)Nc1nc2ccc(CC(=O)NCc3ccco3)cc2s1 CCC[*:1] O=C(Cc1ccc2nc(NC(=O)[*:1])sc2c1)NCc1ccco1
CCCC(=O)Nc1nc2ccc(CC(=O)NCc3ccco3)cc2s1 c1coc(c1)[*:1] CCCC(=O)Nc1nc2ccc(cc2s1)CC(=O)NC[*:1]
CCCC(=O)Nc1nc2ccc(CC(=O)NCc3ccco3)cc2s1 CCCC(=O)N[*:1] O=C(Cc1ccc2nc(sc2c1)[*:1])NCc1ccco1
CCOC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1C Cc1ccc(cc1F)[*:1] CCOC(=O)Nc1cccc(NC(=O)N[C@@H](C)[*:1])c1C
CCOC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1C CCOC(=O)N[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)Nc1cccc(c1C)[*:1]
CC[C@H](C#N)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 c1csc(c1)[*:1] CC[C@H](C#N)OC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
N#CC1=C(N)N(c2ccccc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@H]1c1ccsc1 c1cc(cs1)[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@@H]1[*:1])c1ccccc1[N+](=O)[O-]
N#CC1=C(N)N(c2ccccc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@H]1c1ccsc1 O=[N+]([O-])[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@H]1c1ccsc1)c1ccccc1[*:1]
N#CC1=C(N)N(c2ccccc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@H]1c1ccsc1 O=[N+]([O-])c1ccccc1[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@H]1c1ccsc1)[*:1]
CSCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] CSCC(=O)NNC(=O)c1ccc(cc1F)[*:1]
CSCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1F CSC[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1F)[N+](=O)[O-]
COC(=O)c1ccc(F)c(NC(=O)[C@@H]2CCO[C@H]2C)c1 COC(=O)[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1cc(ccc1F)[*:1]
Cc1cccc2sc(OC3CN(C(=O)c4cnn(-c5ccccc5)n4)C3)nc12 c1ccc(cc1)[*:1] Cc1cccc2sc(nc12)OC1CN(C1)C(=O)c1cnn(n1)[*:1]
CSCCc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cc1 CSCC[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N[C@H]1CCCC[C@@H]1CO
CSCCc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cc1 CSC[*:1] O=C(Nc1ccc(cc1)C[*:1])C(=O)N[C@H]1CCCC[C@@H]1CO
Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)NCc3ccco3)CC2)c(C)c1 c1coc(c1)C[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)NCc3ccco3)CC2)c(C)c1 O=C(NCc1ccco1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)NCc3ccco3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])NCc1ccco1
Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)NCc3ccco3)CC2)c(C)c1 c1coc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCN(CC1)CC(=O)NC[*:1]
N#Cc1nc(NCC[C@@H](O)c2ccccc2)ccc1Cl c1ccc(cc1)[*:1] N#Cc1nc(ccc1Cl)NCC[C@@H](O)[*:1]
NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] NC(=O)c1nc(n(n1)-c1ccccc1)[*:1]
NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 NC(=O)[*:1] c1ccc(cc1)-c1nc(nn1-c1ccccc1)[*:1]
NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] NC(=O)c1nc(-c2ccccc2)n(n1)[*:1]
COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(OC)c2OC)cc1 COc1ccc(cc1)[*:1] COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2[*:1])c1OC
COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(OC)c2OC)cc1 COc1cccc(c1OC)[*:1] COc1ccc(cc1)[C@H]1c2cccn2CCN1C(=O)N[*:1]
COCCC(=O)N[C@H]1C[C@@H](C(=O)N(C)Cc2cccc3ccccc23)N(C)C1 COCC[*:1] CN(Cc1cccc2ccccc12)C(=O)[C@@H]1C[C@@H](CN1C)NC(=O)[*:1]
COCCC(=O)N[C@H]1C[C@@H](C(=O)N(C)Cc2cccc3ccccc23)N(C)C1 COC[*:1] CN(Cc1cccc2ccccc12)C(=O)[C@@H]1C[C@@H](CN1C)NC(=O)C[*:1]
COCCC(=O)N[C@H]1C[C@@H](C(=O)N(C)Cc2cccc3ccccc23)N(C)C1 COCCC(=O)N[*:1] CN(Cc1cccc2ccccc12)C(=O)[C@@H]1C[C@@H](CN1C)[*:1]
C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(SCC(F)(F)F)cc1 FC(F)(F)CS[*:1] C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(cc1)[*:1]
C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(SCC(F)(F)F)cc1 FC(F)(F)C[*:1] C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(cc1)S[*:1]
C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(SCC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(cc1)SC[*:1]
CCc1ccc([C@@H]2CC(c3ccc(C)cc3)=Nc3ncnn32)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@@H]1CC(=Nc2ncnn21)[*:1]
CCc1ccc([C@@H]2CC(c3ccc(C)cc3)=Nc3ncnn32)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)C1C[C@H](n2ncnc2N=1)[*:1]
Cn1cnnc1Sc1ccc(NC(=O)c2sccc2Br)cc1Cl Cn1cnnc1[*:1] O=C(Nc1ccc(S[*:1])c(Cl)c1)c1sccc1Br
Cn1cnnc1Sc1ccc(NC(=O)c2sccc2Br)cc1Cl Cn1cnnc1S[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1sccc1Br
Cn1cnnc1Sc1ccc(NC(=O)c2sccc2Br)cc1Cl Brc1ccsc1[*:1] Cn1cnnc1Sc1ccc(cc1Cl)NC(=O)[*:1]
Cc1ccc(-c2csc(NC(=O)CN3C(=O)c4ccccc4C3=O)n2)o1 Cc1ccc(o1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(cs1)[*:1]
CN(C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1)C1CCC1 c1ccc(cc1)C[*:1] CN(C(=O)N[C@H]1CCC[C@H]1[*:1])C1CCC1
CN(C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1)C1CCC1 c1ccc(cc1)[*:1] CN(C(=O)N[C@H]1CCC[C@@H]1C[*:1])C1CCC1
CN(C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1)C1CCC1 C1CC(C1)[*:1] CN(C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1)[*:1]
O=Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 FC(F)(F)[*:1] O=Cc1ccc(OCC(=O)Nc2ccccc2[*:1])c(c1)[N+](=O)[O-]
O=Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(c1)[*:1]
O=C(CCC1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(CC[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCC1
O=C(CCC1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 C1CCC(CC1)CC[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCCC1)[*:1]
O=C(CCC1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 C1CCC(CC1)C[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCC1
CC[NH+](CC(=O)NC(C)(C)C)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 CC(C)(C)NC(=O)[*:1] CC[NH+](Cc1cc(=O)n2c(csc2n1)-c1ccccc1)C[*:1]
CC[NH+](CC(=O)NC(C)(C)C)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 CC(C)(C)[*:1] CC[NH+](CC(=O)N[*:1])Cc1cc(=O)n2c(csc2n1)-c1ccccc1
CC[NH+](CC(=O)NC(C)(C)C)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 c1ccc(cc1)[*:1] CC[NH+](CC(=O)NC(C)(C)C)Cc1cc(=O)n2c(csc2n1)[*:1]
CC[NH+](CC(=O)NC(C)(C)C)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 CC(C)(C)NC(=O)C[*:1] CC[NH+](Cc1cc(=O)n2c(csc2n1)-c1ccccc1)[*:1]
Cc1ccc2c(c1)C(=O)N(CC(=O)N(c1ccc(C#N)cc1)C1CC1)C2=O N#Cc1ccc(cc1)[*:1] Cc1ccc2C(=O)N(CC(=O)N(C3CC3)[*:1])C(=O)c2c1
Cc1ccc2c(c1)C(=O)N(CC(=O)N(c1ccc(C#N)cc1)C1CC1)C2=O C1CC1[*:1] Cc1ccc2C(=O)N(CC(=O)N(c3ccc(C#N)cc3)[*:1])C(=O)c2c1
CC[C@@](O)(COC)Cc1nc2ccccc2s1 COC[*:1] CC[C@@](O)(Cc1nc2ccccc2s1)[*:1]
CCOC(=O)Cc1ccc(NC(=O)n2ncc3ccccc32)cc1 CCOC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])n1ncc2ccccc21
CCOC(=O)Cc1ccc(NC(=O)n2ncc3ccccc32)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])n1ncc2ccccc21
N#Cc1ncc(C(F)(F)F)cc1Oc1cccnc1 c1cncc(c1)[*:1] N#Cc1ncc(cc1O[*:1])C(F)(F)F
N#Cc1ncc(C(F)(F)F)cc1Oc1cccnc1 FC(F)(F)[*:1] N#Cc1ncc(cc1Oc1cccnc1)[*:1]
CCN(Cc1ccc(C(=O)NN)cn1)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(Cc1ccc(cn1)C(=O)NN)[*:1]
CCN(Cc1ccc(C(=O)NN)cn1)c1cccc(C)c1 NNC(=O)[*:1] CCN(Cc1ccc(cn1)[*:1])c1cccc(C)c1
CC(C)[C@@H](NC(=O)c1ccccc1)C1([N+](=O)[O-])CCCCC1 O=[N+]([O-])[*:1] CC(C)[C@@H](NC(=O)c1ccccc1)C1(CCCCC1)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1)C1([N+](=O)[O-])CCCCC1 CC(C)[*:1] O=C(N[C@@H](C1(CCCCC1)[N+](=O)[O-])[*:1])c1ccccc1
CC(C)[C@@H](NC(=O)c1ccccc1)C1([N+](=O)[O-])CCCCC1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C1(CCCCC1)[N+](=O)[O-]
NC(=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C1 FC(F)[*:1] NC(=O)[C@@H]1CCC[C@@H](C1)NC(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
NC(=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C1 NC(=O)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)N[C@H]1CCC[C@H](C1)[*:1]
COc1cccc(-c2cc(COC(=O)c3ccc([O-])nn3)no2)c1 COc1cccc(c1)[*:1] O=C(OCc1cc(on1)[*:1])c1ccc([O-])nn1
N#CCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccccc1 N#CC[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N(c1ccccc1)[*:1]
N#CCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccccc1 c1ccc(cc1)[*:1] N#CCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
O=S(=O)(CCn1nnc(-c2ccccc2)n1)c1cc(Cl)ccc1Cl c1ccc(cc1)[*:1] O=S(=O)(CCn1nnc(n1)[*:1])c1cc(Cl)ccc1Cl
O=S(=O)(CCn1nnc(-c2ccccc2)n1)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=S(=O)(CCn1nnc(n1)-c1ccccc1)[*:1]
Cc1cccn2c(C=O)c(-c3ccc([N+](=O)[O-])cc3)nc12 O=[N+]([O-])[*:1] Cc1cccn2c(C=O)c(nc12)-c1ccc(cc1)[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)[C@@H]1c2ccccc2O[C@H]2C=CC=C[C@@H]21 CCOC(=O)[*:1] O=C(NC1=c2ccccc2=[NH+][C@@H]1[*:1])[C@@H]1c2ccccc2O[C@H]2C=CC=C[C@@H]21
Cc1cc(C)n(C[C@H](C)CNC(=O)NC[C@H](O)c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)NC[C@H](O)[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)NC[C@H](O)c2ccccc2Cl)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](CNC(=O)NC[C@H](O)c1ccccc1Cl)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)NC[C@H](O)c2ccccc2Cl)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNC(=O)NC[C@H](O)c1ccccc1Cl)C[*:1]
COCc1cccc(C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)c1 COC[*:1] CO[C@@]1(C)C[C@@H](NC(=O)c2cccc(c2)[*:1])C1(C)C
CCOC(=O)c1cnc2ccc(-c3ccccc3)nn2c1=O CCOC(=O)[*:1] O=c1c(cnc2ccc(nn12)-c1ccccc1)[*:1]
CCOC(=O)c1cnc2ccc(-c3ccccc3)nn2c1=O c1ccc(cc1)[*:1] CCOC(=O)c1cnc2ccc(nn2c1=O)[*:1]
CSc1cccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c1 CSc1cccc(c1)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)N1CCSc2ncccc21
C[C@H](NC(=O)C[S@](=O)Cc1cccc2ccccc12)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(C[S@](=O)Cc1cccc2ccccc12)N[*:1]
C[C@H](NC(=O)C[S@](=O)Cc1cccc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C[S@](=O)Cc1cccc2ccccc12)[*:1]
O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2F)CC1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccnn1C1CC[NH+](CC1)Cc1ccccc1F)[*:1]
O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2F)CC1)c1cccnc1 O=C(N[*:1])c1cccnc1 Fc1ccccc1C[NH+]1CCC(CC1)n1nccc1[*:1]
O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2F)CC1)c1cccnc1 Fc1ccccc1[*:1] O=C(Nc1ccnn1C1CC[NH+](CC1)C[*:1])c1cccnc1
O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2F)CC1)c1cccnc1 Fc1ccccc1C[*:1] O=C(Nc1ccnn1C1CC[NH+](CC1)[*:1])c1cccnc1
NC(=O)[C@H](Nc1ccccc1)c1ccccc1 NC(=O)[*:1] c1ccc(cc1)N[C@H](c1ccccc1)[*:1]
COc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)C(C)(C)C)CC3)cc1 C1CO[C@@H](C1)C[*:1] COc1ccc(cc1)C(=O)N1[C@@H](COC12CCN(CC2)C(=O)C(C)(C)C)C(=O)N[*:1]
COc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)C(C)(C)C)CC3)cc1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1)C(=O)N1[C@@H](COC12CCN(CC2)C(=O)C(C)(C)C)C(=O)NC[*:1]
COc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)C(C)(C)C)CC3)cc1 COc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NC[C@@H]1CCCO1)N2C(=O)[*:1]
COc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)C(C)(C)C)CC3)cc1 CC(C)(C)[*:1] COc1ccc(cc1)C(=O)N1[C@@H](COC12CCN(CC2)C(=O)[*:1])C(=O)NC[C@@H]1CCCO1
CCOc1cc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc(Cl)c1OCC CCO[*:1] CCOc1cc(cc(Cl)c1[*:1])[C@@H]1C(C(=O)OC)=C(C)Nc2ncnn21
CCOc1cc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc(Cl)c1OCC COC(=O)[*:1] CCOc1cc(cc(Cl)c1OCC)[C@@H]1C(=C(C)Nc2ncnn21)[*:1]
CCOc1cc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc(Cl)c1OCC CCO[*:1] CCOc1c(Cl)cc(cc1[*:1])[C@@H]1C(C(=O)OC)=C(C)Nc2ncnn21
CN(C)C(=O)NCc1cc2n(n1)CCCN(Cc1cccc(Cl)c1F)C2 Fc1c(Cl)cccc1[*:1] CN(C)C(=O)NCc1cc2CN(CCCn2n1)C[*:1]
CN(C)C(=O)NCc1cc2n(n1)CCCN(Cc1cccc(Cl)c1F)C2 CN(C)C(=O)NC[*:1] Fc1c(Cl)cccc1CN1CCCn2nc(cc2C1)[*:1]
CN(C)C(=O)NCc1cc2n(n1)CCCN(Cc1cccc(Cl)c1F)C2 CN(C)C(=O)N[*:1] Fc1c(Cl)cccc1CN1CCCn2nc(cc2C1)C[*:1]
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1CCCN(C(=O)NC2CC2)C1 C1CC1[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H](Sc2nnc(C(F)(F)F)n2N)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](Sc1nnc(n1N)C(F)(F)F)[*:1]
Cc1ccc(NC(=O)[C@@H](Sc2nnc(C(F)(F)F)n2N)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1C(F)(F)F)S[C@H](C(=O)N[*:1])c1ccccc1
Cc1ccc(NC(=O)[C@@H](Sc2nnc(C(F)(F)F)n2N)c2ccccc2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](Sc1nnc(n1N)[*:1])c1ccccc1
Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2C Cc1c(Cl)cccc1[*:1] CN1C(=O)CCc2cc(ccc21)NS(=O)(=O)[*:1]
COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)CC(=O)N3)c1 O=C([O-])[*:1] COc1cccc(c1)-n1cc(c2NC(=O)C[C@@H](c3cc(OC)c(OC)c(c3)OC)c21)[*:1]
COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)CC(=O)N3)c1 COc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC(=O)Nc2c(cn(c21)[*:1])C(=O)[O-]
N#C[C@H](NC(=O)CCCNC(=O)c1cccs1)c1ccc(F)cc1F O=C(N[*:1])c1cccs1 N#C[C@H](NC(=O)CCC[*:1])c1ccc(F)cc1F
N#C[C@H](NC(=O)CCCNC(=O)c1cccs1)c1ccc(F)cc1F c1csc(c1)[*:1] N#C[C@H](NC(=O)CCCNC(=O)[*:1])c1ccc(F)cc1F
N#C[C@H](NC(=O)CCCNC(=O)c1cccs1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] N#C[C@H](NC(=O)CCCNC(=O)c1cccs1)[*:1]
C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)N[*:1]
C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCc1ccco1 O=C(NCc1ccco1)[*:1] C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)[*:1]
C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCc1ccco1 c1ccc(cc1)[*:1] C[C@@H](Oc1cc2oc(=O)cc(c2cc1Cl)[*:1])C(=O)NCc1ccco1
C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NC[*:1]
Cc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 Cc1ccc(cc1)[*:1] c1ccc2sc(Cn3nnc(n3)[*:1])nc2c1
Cc1csc(NC(=O)[C@H]2CN(C)c3ccccc32)n1 Cc1csc(n1)[*:1] CN1C[C@H](C(=O)N[*:1])c2ccccc21
CC(C)(C)NC(=O)COc1ccc2ccccc2c1Br CC(C)(C)[*:1] O=C(COc1ccc2ccccc2c1Br)N[*:1]
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N3CCCC3)c12 O=C(N1CCCC1)[*:1] Cc1nn(c2nc(cc(c12)[*:1])-c1cccs1)[C@@H]1CCS(=O)(=O)C1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N3CCCC3)c12 c1csc(c1)[*:1] Cc1nn(c2nc(cc(C(=O)N3CCCC3)c12)[*:1])[C@@H]1CCS(=O)(=O)C1
C[C@H](CC(=O)N1CCc2c(sc(N)c2C#N)C1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](CC(=O)N1CCc2c(C1)sc(N)c2C#N)[*:1]
CNc1ccc(C(=O)[O-])cc1C(=O)[O-] O=C([O-])[*:1] CNc1ccc(cc1[*:1])C(=O)[O-]
CNc1ccc(C(=O)[O-])cc1C(=O)[O-] O=C([O-])[*:1] CNc1ccc(cc1C(=O)[O-])[*:1]
Cc1nc(N)sc1SCc1noc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1nc(N)sc1SCc1noc(n1)[*:1]
Cc1nc(N)sc1SCc1noc(-c2ccc(F)cc2)n1 Cc1nc(N)sc1[*:1] Fc1ccc(cc1)-c1nc(CS[*:1])no1
C[C@H](NC(=O)NCc1cn2ccsc2n1)C(=O)N1CCCC[C@H]1C c1cn2cc(nc2s1)[*:1] C[C@H](NC(=O)NC[*:1])C(=O)N1CCCC[C@H]1C
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCS[C@@H](C(C)C)C1 CC(C)[*:1] CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCS[C@@H](C1)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCS[C@@H](C(C)C)C1 CC(C)[*:1] CC(C)[C@H]1CN(CCS1)C(=O)N[C@H](C[NH+](C)C)C[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCS[C@@H](C(C)C)C1 CC(C)C[*:1] CC(C)[C@H]1CN(CCS1)C(=O)N[C@H](C[NH+](C)C)[*:1]
O=C(c1csc(-c2cc3ccccc3[nH]2)n1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1csc(n1)-c1cc2ccccc2[nH]1)N1CCN(CC1)[*:1]
O=C(c1csc(-c2cc3ccccc3[nH]2)n1)N1CCN(c2ccccc2)CC1 c1ccc2[nH]c(cc2c1)[*:1] O=C(c1csc(n1)[*:1])N1CCN(CC1)c1ccccc1
Cn1nnnc1SCC(=O)Oc1ccc2c(c1)CCC2 Cn1nnnc1[*:1] O=C(CS[*:1])Oc1ccc2CCCc2c1
CC(C)c1cccc2c1OCC[C@@H]2[NH2+]C[C@]1(O)CCOC1 CC(C)[*:1] O[C@]1(CCOC1)C[NH2+][C@H]1CCOc2c1cccc2[*:1]
CC(C)OC(=O)c1ccc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)cc1 c1cc(ccn1)C[*:1] CC(C)OC(=O)c1ccc(cc1)C[C@@H]1[C@@H](O)c2ccccc2S(=O)(=O)N1[*:1]
CC(C)OC(=O)c1ccc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)cc1 c1cc(ccn1)[*:1] CC(C)OC(=O)c1ccc(cc1)C[C@@H]1[C@@H](O)c2ccccc2S(=O)(=O)N1C[*:1]
CC(C)OC(=O)c1ccc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)cc1 CC(C)OC(=O)[*:1] O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccc(cc2)[*:1])N1Cc1ccncc1
CC(C)OC(=O)c1ccc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)cc1 CC(C)[*:1] O=C(O[*:1])c1ccc(cc1)C[C@@H]1[C@@H](O)c2ccccc2S(=O)(=O)N1Cc1ccncc1
CC(C)CC1(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCCC1 CC(C)C[*:1] [NH3+][C@H]1CC[C@H](C1)C(=O)NCC1(CCCC1)[*:1]
CC(C)CC1(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCCC1 CC(C)[*:1] [NH3+][C@H]1CC[C@H](C1)C(=O)NCC1(CCCC1)C[*:1]
COC(=O)c1cc(NC(=O)c2ccc(OC)c(Cl)c2)cc(C(=O)OC)c1 COC(=O)[*:1] COC(=O)c1cc(cc(c1)[*:1])NC(=O)c1ccc(OC)c(Cl)c1
Cc1cc(C)c(C)c(OCCC(=O)N2CCOC[C@H]2C(N)=O)c1 NC(=O)[*:1] Cc1cc(C)c(C)c(c1)OCCC(=O)N1CCOC[C@@H]1[*:1]
Cc1cc(CSCC(=O)Nc2cccc(F)c2)on1 Cc1cc(on1)[*:1] O=C(CSC[*:1])Nc1cccc(F)c1
CCC1(CC)CC[NH+](CC(=O)C(C)C)CC1 CC(C)[*:1] CCC1(CC)CC[NH+](CC1)CC(=O)[*:1]
CCC1(CC)CC[NH+](CC(=O)C(C)C)CC1 CC(C)C(=O)[*:1] CCC1(CC)CC[NH+](CC1)C[*:1]
COc1ccc([C@H]2NCC[NH+]=C2NC(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@H]1NCC[NH+]=C1N[*:1]
COC[C@@H](O)CN(C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 COC[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)N(C)C[C@H](O)[*:1]
COC[C@@H](O)CN(C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 COc1ccc(cc1)[*:1] COC[C@@H](O)CN(C)C(=O)c1cc(C)n(n1)[*:1]
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
O=[N+]([O-])c1ccc(CSc2ccncc2)c(F)c1 c1cc(ccn1)[*:1] O=[N+]([O-])c1ccc(CS[*:1])c(F)c1
O=[N+]([O-])c1ccc(CSc2ccncc2)c(F)c1 O=[N+]([O-])[*:1] Fc1cc(ccc1CSc1ccncc1)[*:1]
Cc1n[nH]c(NC(=O)CC[C@H]2CCCCO2)c1N C1CC[C@@H](OC1)[*:1] Cc1n[nH]c(NC(=O)CC[*:1])c1N
CC(C)CNC(=O)c1sc2cc(Cl)ccc2c1Cl CC(C)C[*:1] O=C(N[*:1])c1sc2cc(Cl)ccc2c1Cl
CC(C)CNC(=O)c1sc2cc(Cl)ccc2c1Cl CC(C)[*:1] O=C(NC[*:1])c1sc2cc(Cl)ccc2c1Cl
COc1ccc(C(N)=O)cc1NC(=O)c1ccc(-n2ccnn2)cc1 NC(=O)[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
COc1ccc(C(N)=O)cc1NC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)[*:1])C(N)=O
C[C@@H](ONC(=O)C1CCCC1)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@@H](ONC(=O)C1CCCC1)C(=O)N[*:1]
C[C@@H](ONC(=O)C1CCCC1)C(=O)Nc1ccccc1F C1CCC(C1)[*:1] C[C@@H](ONC(=O)[*:1])C(=O)Nc1ccccc1F
CCN(C[C@@H](C)C#N)C(=O)CNC1(C(N)=O)CCCCC1 NC(=O)[*:1] CCN(C[C@@H](C)C#N)C(=O)CNC1(CCCCC1)[*:1]
CCN(C[C@@H](C)C#N)C(=O)CNC1(C(N)=O)CCCCC1 C[C@@H](C#N)C[*:1] CCN(C(=O)CNC1(CCCCC1)C(N)=O)[*:1]
CCN(C[C@@H](C)C#N)C(=O)CNC1(C(N)=O)CCCCC1 C[C@@H](C#N)[*:1] CCN(C[*:1])C(=O)CNC1(CCCCC1)C(N)=O
O=C(CC1CCCCC1)Nc1cccc(C(F)(F)F)c1 C1CCC(CC1)[*:1] O=C(C[*:1])Nc1cccc(c1)C(F)(F)F
O=C(CC1CCCCC1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CC1CCCCC1)Nc1cccc(c1)[*:1]
Cc1cc(CNC(=O)C(c2ccccc2)c2ccccc2)no1 Cc1cc(C[*:1])no1 O=C(N[*:1])C(c1ccccc1)c1ccccc1
Cc1cc(CNC(=O)C(c2ccccc2)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(CNC(=O)C(c2ccccc2)[*:1])no1
Cc1cc(CNC(=O)C(c2ccccc2)c2ccccc2)no1 Cc1cc(no1)[*:1] O=C(NC[*:1])C(c1ccccc1)c1ccccc1
Cc1ncccc1NC(=O)C(=O)NC1CCN(c2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] Cc1ncccc1NC(=O)C(=O)NC1CCN(CC1)[*:1]
Cc1ncccc1NC(=O)C(=O)NC1CCN(c2ccc(C#N)cc2)CC1 Cc1ncccc1[*:1] N#Cc1ccc(cc1)N1CCC(CC1)NC(=O)C(=O)N[*:1]
Cn1nnnc1SCC(=O)Nc1ccccc1OCC(F)F FC(F)C[*:1] Cn1nnnc1SCC(=O)Nc1ccccc1O[*:1]
Cn1nnnc1SCC(=O)Nc1ccccc1OCC(F)F Cn1nnnc1[*:1] O=C(CS[*:1])Nc1ccccc1OCC(F)F
Cn1nnnc1SCC(=O)Nc1ccccc1OCC(F)F FC(F)[*:1] Cn1nnnc1SCC(=O)Nc1ccccc1OC[*:1]
Cn1nnnc1SCC(=O)Nc1ccccc1OCC(F)F Cn1nnnc1S[*:1] O=C(C[*:1])Nc1ccccc1OCC(F)F
Cn1nnnc1SCC(=O)Nc1ccccc1OCC(F)F FC(F)CO[*:1] Cn1nnnc1SCC(=O)Nc1ccccc1[*:1]
O=C(/C=C/c1nc2ccccc2o1)NC[C@H]1COCCO1 C1CO[C@H](CO1)C[*:1] O=C(/C=C/c1nc2ccccc2o1)N[*:1]
CN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(C(N)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(cc1[*:1])C(N)=O
CN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(C(N)=O)cc1[N+](=O)[O-] FC(F)(F)[*:1] CN(CC(=O)Nc1ccccc1[*:1])c1ccc(cc1[N+](=O)[O-])C(N)=O
CN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(C(N)=O)cc1[N+](=O)[O-] NC(=O)[*:1] CN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(cc1[N+](=O)[O-])[*:1]
CC(C)(C)CC(=O)NCC(=O)Nc1ccccc1N1CCCCC1 CC(C)(C)C[*:1] O=C(CNC(=O)[*:1])Nc1ccccc1N1CCCCC1
CC(C)(C)CC(=O)NCC(=O)Nc1ccccc1N1CCCCC1 CC(C)(C)CC(=O)N[*:1] O=C(C[*:1])Nc1ccccc1N1CCCCC1
CC(C)(C)CC(=O)NCC(=O)Nc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] CC(C)(C)CC(=O)NCC(=O)Nc1ccccc1[*:1]
CC(C)(C)CC(=O)NCC(=O)Nc1ccccc1N1CCCCC1 CC(C)(C)[*:1] O=C(C[*:1])NCC(=O)Nc1ccccc1N1CCCCC1
Cc1csc(C[C@@]2([NH3+])CCCC[C@@H]2C2CCCCC2)n1 Cc1csc(n1)[*:1] [NH3+][C@@]1(CCCC[C@@H]1C1CCCCC1)C[*:1]
Cc1csc(C[C@@]2([NH3+])CCCC[C@@H]2C2CCCCC2)n1 C1CCC(CC1)[*:1] Cc1csc(C[C@@]2([NH3+])CCCC[C@H]2[*:1])n1
COC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O COC(=O)[*:1] Cn1c2ccccc2c2cnn(C[*:1])c(=O)c21
COC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O COC(=O)C[*:1] Cn1c2ccccc2c2cnn(c(=O)c21)[*:1]
CCOc1ccc([C@@H](C)NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1 C1CO[C@@H](C1)[*:1] CCOc1ccc(cc1)[C@@H](C)NC(=O)N1CCC(CC1)OC[*:1]
CCOc1ccc([C@@H](C)NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1 C1CO[C@@H](C1)C[*:1] CCOc1ccc(cc1)[C@@H](C)NC(=O)N1CCC(CC1)O[*:1]
CCOc1ccc([C@@H](C)NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1 C1CO[C@@H](C1)CO[*:1] CCOc1ccc(cc1)[C@@H](C)NC(=O)N1CCC(CC1)[*:1]
CCOc1ccc([C@@H](C)NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1 CCOc1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)OC[C@@H]1CCCO1)[*:1]
CCOc1ccc([C@@H](C)NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1 CCO[*:1] C[C@@H](NC(=O)N1CCC(CC1)OC[C@@H]1CCCO1)c1ccc(cc1)[*:1]
CC[C@@H](C)n1cnc(S(=O)(=O)N2CC[S@@](=O)C(C)(C)C2)c1 CC[C@@H](C)[*:1] CC1(C)CN(CC[S@]1=O)S(=O)(=O)c1cn(cn1)[*:1]
CC[C@@H](C)C(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] CC[C@@H](C)C(=O)Nc1cc(ccc1C)[*:1]
CC[C@@H](C)C(=O)Nc1cc(-c2ncco2)ccc1C CC[C@@H](C)[*:1] Cc1ccc(cc1NC(=O)[*:1])-c1ncco1
O=S(=O)(NCC1CCC1)c1cccc(Br)c1 C1CC(C1)[*:1] O=S(=O)(NC[*:1])c1cccc(Br)c1
O=S(=O)(NCC1CCC1)c1cccc(Br)c1 C1CC(C1)C[*:1] O=S(=O)(N[*:1])c1cccc(Br)c1
CC(=O)Nc1ccc([C@H]2c3cnn(C(C)C)c3[NH+]=C(c3ccccc3)N2C2CC2)cc1 CC(=O)N[*:1] CC(C)n1ncc2c1[NH+]=C(c1ccccc1)N(C1CC1)[C@H]2c1ccc(cc1)[*:1]
CC(=O)Nc1ccc([C@H]2c3cnn(C(C)C)c3[NH+]=C(c3ccccc3)N2C2CC2)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC(C)n1ncc2c1[NH+]=C(c1ccccc1)N(C1CC1)[C@H]2[*:1]
CC(=O)Nc1ccc([C@H]2c3cnn(C(C)C)c3[NH+]=C(c3ccccc3)N2C2CC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)[C@H]1c2cnn(c2[NH+]=C(N1C1CC1)[*:1])C(C)C
CC(=O)Nc1ccc([C@H]2c3cnn(C(C)C)c3[NH+]=C(c3ccccc3)N2C2CC2)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)[C@H]1c2cnn(c2[NH+]=C(c2ccccc2)N1C1CC1)[*:1]
CC(=O)Nc1ccc([C@H]2c3cnn(C(C)C)c3[NH+]=C(c3ccccc3)N2C2CC2)cc1 C1CC1[*:1] CC(=O)Nc1ccc(cc1)[C@H]1c2cnn(c2[NH+]=C(c2ccccc2)N1[*:1])C(C)C
CCN1C[C@@H](CN(C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)Oc2ccccc21 CC(=O)[*:1] CCN1C[C@@H](CN(C)C(=O)c2[nH]c(C)c(c2C)[*:1])Oc2ccccc21
Cc1noc(COCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1 Cc1noc(C[*:1])n1 O=C(CO[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
Cc1noc(COCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1 Cc1noc(CO[*:1])n1 O=C(C[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
Cc1noc(COCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1 Cc1noc(n1)[*:1] O=C(COC[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
Cc1noc(COCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1 Clc1ccc(cc1)C[*:1] Cc1noc(COCC(=O)N2CCN(CC2)[*:1])n1
Cc1noc(COCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1 Clc1ccc(cc1)[*:1] Cc1noc(COCC(=O)N2CCN(CC2)C[*:1])n1
CCCC(=O)N[C@@H](C)c1cc(OC)ccc1OC CCC[*:1] COc1ccc(OC)c(c1)[C@H](C)NC(=O)[*:1]
CCCC(=O)N[C@@H](C)c1cc(OC)ccc1OC CCCC(=O)N[*:1] COc1ccc(OC)c(c1)[C@H](C)[*:1]
Cc1cc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)no1 Cc1cc(no1)[*:1] O=C(CSc1ccc(cn1)S(=O)(=O)N1CCCC1)N[*:1]
Cc1cc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)no1 O=S(=O)(N1CCCC1)[*:1] Cc1cc(no1)NC(=O)CSc1ccc(cn1)[*:1]
CC(C)Cn1c(C[NH3+])nc2cc(Cl)ccc21 CC(C)[*:1] [NH3+]Cc1nc2cc(Cl)ccc2n1C[*:1]
CC(C)Cn1c(C[NH3+])nc2cc(Cl)ccc21 CC(C)C[*:1] [NH3+]Cc1nc2cc(Cl)ccc2n1[*:1]
CC(C)([C@@H](C#N)C(N)=O)[C@H](C#N)C(N)=O NC(=O)[*:1] CC(C)([C@@H](C#N)[*:1])[C@H](C#N)C(N)=O
CC(=O)N[C@H](CC(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F)[*:1]
CC(=O)N[C@H](CC(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F)[*:1]
CC(=O)N[C@H](CC(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F)c1ccc(C)cc1 FC(F)(F)[*:1] CC(=O)N[C@H](CC(=O)N[C@@H](c1ccn(C)c1)[*:1])c1ccc(C)cc1
CC(=O)N[C@H](CC(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F)c1ccc(C)cc1 Cn1ccc(c1)[*:1] CC(=O)N[C@H](CC(=O)N[C@@H](C(F)(F)F)[*:1])c1ccc(C)cc1
O=C(NCc1ccccc1Cl)N1CCN(C(=O)c2ccco2)CC1 Clc1ccccc1[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)c1ccco1
O=C(NCc1ccccc1Cl)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(NCc1ccccc1Cl)N1CCN(CC1)C(=O)[*:1]
O=C(NCc1ccccc1Cl)N1CCN(C(=O)c2ccco2)CC1 Clc1ccccc1C[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1ccco1
O=C(c1cccc2c1OCCO2)N1CCCc2cc(OC(F)(F)F)ccc21 FC(F)(F)[*:1] O=C(c1cccc2OCCOc21)N1CCCc2cc(ccc21)O[*:1]
O=C(c1cccc2c1OCCO2)N1CCCc2cc(OC(F)(F)F)ccc21 FC(F)(F)O[*:1] O=C(c1cccc2OCCOc21)N1CCCc2cc(ccc21)[*:1]
CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1 FC(F)(F)[*:1] CN(C[C@H](O)COc1ccc(cc1)[*:1])C(=O)c1cccnc1
CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1 c1cncc(c1)[*:1] CN(C[C@H](O)COc1ccc(cc1)C(F)(F)F)C(=O)[*:1]
CC(=O)N[C@H](C)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 CC(=O)N[C@H](C)[*:1] C[C@H](NC(=O)[*:1])c1noc(n1)-c1ccc(Cl)cc1
CC(=O)N[C@H](C)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CC(=O)N[C@H](C)C(=O)N[C@@H](C)c1noc(n1)[*:1]
CC(=O)N[C@H](C)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 CC(=O)N[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])c1noc(n1)-c1ccc(Cl)cc1
COc1cccc(C(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)Nc1cc(ncn1)-n1cccn1)[*:1]
COc1cccc(C(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)c1 c1cnn(c1)[*:1] COc1cccc(c1)C(=O)Nc1ccc(cc1)Nc1cc(ncn1)[*:1]
Cc1nc(C[NH+](C)CCCc2n[nH]c(N)c2C#N)nc2ccccc12 N#Cc1c(n[nH]c1N)[*:1] Cc1nc(C[NH+](C)CCC[*:1])nc2ccccc12
COc1ccc(F)cc1S(=O)(=O)NCC1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccc(F)cc1S(=O)(=O)NCC1(CC1)[*:1]
COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCc3ccc(F)cc32)s1 COCC[*:1] Cc1nc(sc1[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21)[*:1]
COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCc3ccc(F)cc32)s1 COC[*:1] Cc1nc(C[*:1])sc1[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21
CCC[C@H](C#N)C(=O)NCc1c(C)noc1C CCC[*:1] Cc1noc(C)c1CNC(=O)[C@@H](C#N)[*:1]
CC[C@@H]1Cn2c(C(=O)NCc3cccnc3)cc3cccc(c32)O1 c1cncc(c1)[*:1] CC[C@@H]1Cn2c(cc3cccc(O1)c32)C(=O)NC[*:1]
CC[C@@H]1Cn2c(C(=O)NCc3cccnc3)cc3cccc(c32)O1 c1cncc(c1)C[*:1] CC[C@@H]1Cn2c(cc3cccc(O1)c32)C(=O)N[*:1]
Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1C(=O)C(C)C CC(C)[*:1] Cc1nc(cn1CCC(=O)Nc1ccccc1C(=O)[*:1])[N+](=O)[O-]
Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1C(=O)C(C)C O=[N+]([O-])[*:1] Cc1nc(cn1CCC(=O)Nc1ccccc1C(=O)C(C)C)[*:1]
Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1C(=O)C(C)C CC(C)C(=O)[*:1] Cc1nc(cn1CCC(=O)Nc1ccccc1[*:1])[N+](=O)[O-]
Cc1cc(C)n2nc(C)c(C(=O)NC[C@@H](C)Oc3ccccc3)c2n1 c1ccc(cc1)O[*:1] Cc1cc(C)n2nc(C)c(C(=O)NC[C@@H](C)[*:1])c2n1
Cc1cc(C)n2nc(C)c(C(=O)NC[C@@H](C)Oc3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1cc(C)n2nc(C)c(C(=O)NC[C@@H](C)O[*:1])c2n1
Cl[C@@H](Cc1nc2ccccc2o1)C1CCOCC1 C1CC(CCO1)[*:1] Cl[C@@H](Cc1nc2ccccc2o1)[*:1]
Clc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 c1cnnc(c1)[*:1] Clc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCCN(C1)[*:1]
Cc1ccsc1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1ccsc1C(=O)NC[C@H]1CCN(C1)C(=O)O[*:1]
Cc1ccsc1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 Cc1ccsc1[*:1] CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)[*:1])C1
Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)Cn4nc(C)ccc4=O)C3)c2)c1 Cc1ccc(=O)n(n1)[*:1] Cc1cccc(c1)Cc1cc(C)nc(c1)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)Cn4nc(C)ccc4=O)C3)c2)c1 Cc1cccc(c1)[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)Cn1nc(C)ccc1=O)C[*:1]
Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)Cn4nc(C)ccc4=O)C3)c2)c1 Cc1ccc(=O)n(C[*:1])n1 Cc1cccc(c1)Cc1cc(C)nc(c1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)Cn4nc(C)ccc4=O)C3)c2)c1 Cc1cccc(c1)C[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)Cn1nc(C)ccc1=O)[*:1]
CCOC(=O)C[NH+]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 CCOC(=O)C[*:1] O=C(c1cc(Cl)c2OCCCOc2c1)N1CCC[NH+](CC1)[*:1]
CCOC(=O)C[NH+]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 CCOC(=O)[*:1] O=C(c1cc(Cl)c2OCCCOc2c1)N1CCC[NH+](CC1)C[*:1]
CCc1ccc(C(C)(C)CNC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1 O=C1CCCN1[*:1] CCc1ccc(cc1)C(C)(C)CNC(=O)N1CCC[C@@H](C1)[*:1]
CCc1ccc(C(C)(C)CNC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1 CCc1ccc(cc1)[*:1] CC(C)(CNC(=O)N1CCC[C@H](C1)N1CCCC1=O)[*:1]
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2OC2CCCC2)C1 C1CCC(C1)[*:1] C[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccccc1O[*:1]
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2OC2CCCC2)C1 C1CCC(C1)O[*:1] C[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccccc1[*:1]
CCC(CC)(C(=O)/N=C1/NCCS1)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)(C(=O)/N=C1/NCCS1)[*:1]
CNC(=O)CN1CCN(C(=O)CCCc2ccccc2)CC1 CNC(=O)[*:1] O=C(CCCc1ccccc1)N1CCN(CC1)C[*:1]
CNC(=O)CN1CCN(C(=O)CCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CNC(=O)CN1CCN(CC1)C(=O)CC[*:1]
CNC(=O)CN1CCN(C(=O)CCCc2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)CN1CCN(CC1)C(=O)CCC[*:1]
CNC(=O)CN1CCN(C(=O)CCCc2ccccc2)CC1 CNC(=O)C[*:1] O=C(CCCc1ccccc1)N1CCN(CC1)[*:1]
C[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](C(=O)N(C)CCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
C[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 C[C@@H](c1cccc(F)c1)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)[*:1]
O=C1CCN(C2CC2)c2ccc(Br)cc2N1 C1CC1[*:1] O=C1CCN(c2ccc(Br)cc2N1)[*:1]
Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1 Cc1ccccc1[*:1] C[C@H]([NH2+]C[C@@H](O)CO[*:1])c1ccccc1
Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(CN2C(=O)[C@H]3CCC[C@@H]32)CC1 O=C(N1CCCC1)[*:1] C[C@@H](N1CCN(CC1)CN1C(=O)[C@H]2CCC[C@@H]21)[*:1]
CC[NH2+][C@H](Cc1ccc(O)cc1)Cc1ccc(F)cc1Cl Oc1ccc(cc1)[*:1] CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)C[*:1]
CC1=C(C(=O)O[C@H]2CC[C@@H](C)[C@@H](C)C2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 c1cc2OCOc2cc1[*:1] CC1NC(=O)N[C@H](C=1C(=O)O[C@H]1CC[C@@H](C)[C@@H](C)C1)[*:1]
CCn1cc(C[NH+]2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cn1 CCn1cc(cn1)[*:1] O=C(c1ccc(=O)[nH]c1)N1CCC[NH+](CC1)C[*:1]
CCn1cc(C[NH+]2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cn1 CCn1cc(cn1)C[*:1] O=C(c1ccc(=O)[nH]c1)N1CCC[NH+](CC1)[*:1]
CCn1cc(C[NH+]2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)cn1 O=c1ccc(c[nH]1)[*:1] CCn1cc(cn1)C[NH+]1CCCN(CC1)C(=O)[*:1]
COc1ccc(OCc2ccccc2)c(C[NH3+])c1 c1ccc(cc1)[*:1] COc1ccc(OC[*:1])c(c1)C[NH3+]
CCN(CCO)C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 OCC[*:1] CCN(C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[*:1]
C[C@H](NC(=O)N1CCC2(CC1)OCCO2)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)N1CCC2(CC1)OCCO2)[*:1]
C=CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(Cl)c(Cl)c1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)/C=C/c1ccc(Cl)c(Cl)c1
C=CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(Cl)c(Cl)c1 O=C([O-])C[*:1] C=CCN(C(=O)/C=C/c1ccc(Cl)c(Cl)c1)[*:1]
C=CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(Cl)c(Cl)c1 C=CC[*:1] O=C([O-])CN(C(=O)/C=C/c1ccc(Cl)c(Cl)c1)[*:1]
Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)n1 c1ccc(cc1)[*:1] Cn1ccc(CN(CC[*:1])S(=O)(=O)c2ccc(Cl)cc2)n1
Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)n1 Cn1ccc(C[*:1])n1 O=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccc1)[*:1]
Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)n1 c1ccc(cc1)C[*:1] Cn1ccc(CN(C[*:1])S(=O)(=O)c2ccc(Cl)cc2)n1
Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)n1 Cn1ccc(n1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccc1)C[*:1]
Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)n1 c1ccc(cc1)CC[*:1] Cn1ccc(CN(S(=O)(=O)c2ccc(Cl)cc2)[*:1])n1
Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)[*:1])n1
C[C@@H]1CCN(C(=O)CCCn2ccnn2)C[C@H](C)C1 c1cn(C[*:1])nn1 C[C@@H]1CCN(C[C@H](C)C1)C(=O)CC[*:1]
C[C@@H]1CCN(C(=O)CCCn2ccnn2)C[C@H](C)C1 c1cn(nn1)[*:1] C[C@@H]1CCN(C[C@H](C)C1)C(=O)CCC[*:1]
CC(C)n1nccc1NC(=O)N1CCN(Cc2ccccc2)CC1 CC(C)n1nccc1[*:1] O=C(N[*:1])N1CCN(CC1)Cc1ccccc1
CC(C)n1nccc1NC(=O)N1CCN(Cc2ccccc2)CC1 CC(C)[*:1] O=C(Nc1ccnn1[*:1])N1CCN(CC1)Cc1ccccc1
CC(C)n1nccc1NC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)n1nccc1NC(=O)N1CCN(CC1)[*:1]
CC(C)n1nccc1NC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)n1nccc1NC(=O)N1CCN(CC1)C[*:1]
Cc1ccc(C(=O)c2ccccc2C(=O)NCc2nnc3n2CCCCC3)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1nnc2CCCCCn21)c1ccccc1C(=O)[*:1]
Cc1ccc(C(=O)c2ccccc2C(=O)NCc2nnc3n2CCCCC3)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C(NCc1nnc2CCCCCn21)c1ccccc1[*:1]
Clc1ccc(SCc2nnc(-c3ccccc3Cl)o2)nn1 Clc1ccccc1[*:1] Clc1ccc(nn1)SCc1nnc(o1)[*:1]
Clc1ccc(SCc2nnc(-c3ccccc3Cl)o2)nn1 Clc1ccc(nn1)[*:1] Clc1ccccc1-c1nnc(CS[*:1])o1
CC1=C(C(=O)Nc2cc(C)ccc2C)[C@@H](c2ccc(O)cc2)NC(=S)N1 Oc1ccc(cc1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)Nc1cc(C)ccc1C)[*:1]
CC1=C(C(=O)Nc2cc(C)ccc2C)[C@@H](c2ccc(O)cc2)NC(=S)N1 Cc1ccc(C)c(c1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N[*:1])c1ccc(O)cc1
Cc1cccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1 Cc1cccc(c1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[*:1]
O=C(/C=C/c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 Fc1ccc(C=C[*:1])cc1 O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1Br)[*:1]
O=C(/C=C/c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 Fc1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1Br
O=C(/C=C/c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 Brc1ccccc1[*:1] O=C(/C=C/c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@H](C)c2cccs2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H](C(=O)NCCNS(=O)(=O)[*:1])c1cccs1
Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@H](C)c2cccs2)c1 c1csc(c1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NCCNC(=O)[C@H](C)[*:1]
C=Cc1ccc(Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1 C=Cc1ccc(cc1)[*:1] Cc1cccc(c1)-n1c(=O)c2sccc2n(C[*:1])c1=O
C=Cc1ccc(Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1 C=Cc1ccc(cc1)C[*:1] Cc1cccc(c1)-n1c(=O)c2sccc2n(c1=O)[*:1]
C=Cc1ccc(Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1 Cc1cccc(c1)[*:1] C=Cc1ccc(cc1)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OC)c(F)c3)ccc21 COc1ccc(cc1F)[*:1] CCC(=O)N1CCCc2cc(ccc21)NS(=O)(=O)[*:1]
CC(C)(CCl)C(=O)N[C@H]1CCCC1(C)C CC(C)(CCl)[*:1] CC1(C)CCC[C@@H]1NC(=O)[*:1]
C[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] C[NH2+]CC[C@@H]1CCCCN1C(=O)C[*:1]
Cc1ccc([C@@H]2C[C@@H](c3ccc4c(c3)OCO4)Nc3ncnn32)cc1 Cc1ccc(cc1)[*:1] c1nc2N[C@@H](C[C@H](n2n1)[*:1])c1ccc2OCOc2c1
C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 c1cncc(c1)[*:1] C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CCN2C(=O)[*:1]
COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1 CC(=O)[*:1] COc1ccc(cc1)-n1ccnc1SCC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1 CC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)-n1ccnc1SCC(=O)N[*:1]
COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nccn1[*:1]
NC(=S)c1cc2cc([N+](=O)[O-])ccc2o/c1=[NH+]\c1ccc(F)cc1 O=[N+]([O-])[*:1] NC(=S)c1cc2cc(ccc2o/c1=[NH+]\c1ccc(F)cc1)[*:1]
NC(=S)c1cc2cc([N+](=O)[O-])ccc2o/c1=[NH+]\c1ccc(F)cc1 NC(=S)[*:1] O=[N+]([O-])c1ccc2o/c(=[NH+]\c3ccc(F)cc3)c(cc2c1)[*:1]
NC(=S)c1cc2cc([N+](=O)[O-])ccc2o/c1=[NH+]\c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=S)c1cc2cc(ccc2oc1=[NH+][*:1])[N+](=O)[O-]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)c1 CN(C)S(=O)(=O)[*:1] O=C(OCc1cc(Cl)c2OCCOc2c1)c1cc(ccc1Cl)[*:1]
CCS(=O)(=O)C[C@H](C)N[C@H](C)c1cnc2cc(C)nn2c1C CCS(=O)(=O)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)N[C@@H](C)C[*:1]
CCS(=O)(=O)C[C@H](C)N[C@H](C)c1cnc2cc(C)nn2c1C CCS(=O)(=O)C[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)N[C@@H](C)[*:1]
CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc21 CCC[*:1] O=C(Nc1ccc2OCOc2c1)Nc1ccc2CCCN(c2c1)S(=O)(=O)[*:1]
CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc21 c1cc2OCOc2cc1[*:1] CCCS(=O)(=O)N1CCCc2ccc(cc21)NC(=O)N[*:1]
CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NS(=O)(=O)N2CCCC2)C1 O=S(=O)(N[*:1])N1CCCC1 CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](C1)[*:1]
CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NS(=O)(=O)N2CCCC2)C1 Fc1ccc(cc1)[*:1] CC1(C)Cc2c(cnn2[*:1])[C@@H](C1)NS(=O)(=O)N1CCCC1
CCn1nnc2c(SCc3cccnc3)ncnc21 c1cncc(c1)[*:1] CCn1nnc2c(ncnc21)SC[*:1]
COC(=O)C1CCN(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)CC1 COC(=O)[*:1] N#C/C(=C\N1CCC(CC1)[*:1])C(=O)Nc1ccc(F)cc1
COC(=O)C1CCN(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COC(=O)C1CCN(/C=C(\C#N)C(=O)N[*:1])CC1
CCc1c(C[NH2+]C)cnn1CCC(C)C CC(C)CC[*:1] CCc1c(cnn1[*:1])C[NH2+]C
CCc1c(C[NH2+]C)cnn1CCC(C)C CC(C)C[*:1] CCc1c(cnn1C[*:1])C[NH2+]C
CCc1c(C[NH2+]C)cnn1CCC(C)C CC(C)[*:1] CCc1c(cnn1CC[*:1])C[NH2+]C
C[C@H](NC(=O)c1cnc(COc2ccccc2)nc1[O-])c1nc2ccccc2[nH]1 c1ccc(cc1)O[*:1] C[C@H](NC(=O)c1cnc(C[*:1])nc1[O-])c1nc2ccccc2[nH]1
C[C@H](NC(=O)c1cnc(COc2ccccc2)nc1[O-])c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cnc(CO[*:1])nc1[O-])c1nc2ccccc2[nH]1
C[C@H](NC(=O)c1cnc(COc2ccccc2)nc1[O-])c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] C[C@H](NC(=O)c1cnc(COc2ccccc2)nc1[O-])[*:1]
C[C@H](NC(=O)c1cnc(COc2ccccc2)nc1[O-])c1nc2ccccc2[nH]1 c1ccc(cc1)OC[*:1] C[C@H](NC(=O)c1cnc(nc1[O-])[*:1])c1nc2ccccc2[nH]1
CCS(=O)(=O)CCN(C)C(=O)c1cc(C)sc1C CCS(=O)(=O)[*:1] Cc1cc(C(=O)N(C)CC[*:1])c(C)s1
CCS(=O)(=O)CCN(C)C(=O)c1cc(C)sc1C CCS(=O)(=O)C[*:1] Cc1cc(C(=O)N(C)C[*:1])c(C)s1
COc1cccc(NC(=O)CN(C)C(=O)c2ccc3nccn3c2)c1 COc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc2nccn2c1
C/C=C/C[S@](=O)C(c1ccccc1)c1ccccc1 CC=C[*:1] O=[S@@](C[*:1])C(c1ccccc1)c1ccccc1
C/C=C/C[S@](=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C/C=C/C[S@](=O)C(c1ccccc1)[*:1]
O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 Fc1ccc(cc1)O[*:1] O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(cc(c1)[*:1])[N+](=O)[O-]
O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(cc(c1)[*:1])Oc1ccc(F)cc1
O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 Fc1ccc(cc1)[*:1] O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(cc(c1)[N+](=O)[O-])O[*:1]
CCOC(=O)c1c(/N=C/c2cc(I)ccc2O)sc2c1CC[NH+](C)C2 CCOC(=O)[*:1] C[NH+]1CCc2c(C1)sc(/N=C/c1cc(I)ccc1O)c2[*:1]
CCOC(=O)c1c(/N=C/c2cc(I)ccc2O)sc2c1CC[NH+](C)C2 Oc1ccc(I)cc1[*:1] CCOC(=O)c1c(N=C[*:1])sc2C[NH+](C)CCc21
CN[C@H](c1cc(C)sc1C)C(F)(F)C(F)F FC(F)[*:1] CN[C@H](c1cc(C)sc1C)C(F)(F)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)N1c2ccccc2CC[C@@H]1C(C)C CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N1c2ccccc2CC[C@@H]1C(C)C)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)N1c2ccccc2CC[C@@H]1C(C)C CC(C)[*:1] Cc1ccc(cc1C(=O)N1c2ccccc2CC[C@H]1[*:1])S(C)(=O)=O
CC(C)(C)[C@H](O)CCNS(=O)(=O)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@H](O)CCNS(=O)(=O)[*:1]
CC(C)(C)[C@H](O)CCNS(=O)(=O)c1cccs1 CC(C)(C)[*:1] O=S(=O)(NCC[C@@H](O)[*:1])c1cccs1
Nc1nc(=O)n(CC(=O)c2ccccc2)c2sc3c(c12)CCC3 c1ccc(cc1)[*:1] Nc1nc(=O)n(CC(=O)[*:1])c2sc3CCCc3c12
CCCC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-] CCC[*:1] Cc1cc(C)c(NC(=O)[*:1])c(c1)[N+](=O)[O-]
CCCC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCC(=O)Nc1c(C)cc(C)cc1[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)nc1 CNC(=O)[*:1] O=C(Nc1ccc(nc1)OCC(F)(F)F)N1CCC[C@H]1[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)nc1 FC(F)(F)[*:1] CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(nc1)OC[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)nc1 FC(F)(F)CO[*:1] CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(nc1)[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)nc1 FC(F)(F)C[*:1] CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(nc1)O[*:1]
CCc1c(C)nn(CC(=O)N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)c1C O=C([O-])[*:1] CCc1c(C)nn(CC(=O)N2CCC[C@H](C2)Cn2cc(nn2)[*:1])c1C
CCc1c(C)nn(CC(=O)N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)c1C O=C([O-])c1cn(C[*:1])nn1 CCc1c(C)nn(CC(=O)N2CCC[C@@H](C2)[*:1])c1C
CCc1c(C)nn(CC(=O)N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)c1C CCc1c(C)nn(c1C)[*:1] O=C([O-])c1cn(C[C@@H]2CCCN(C2)C(=O)C[*:1])nn1
C#CC[C@H](C)OC(=O)CCCc1csc(C)n1 C#CC[*:1] Cc1nc(cs1)CCCC(=O)O[C@@H](C)[*:1]
CC(C)(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NS(C)(=O)=O CS(=O)(=O)N[*:1] CC(C)(CNS(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
CC(C)(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NS(C)(=O)=O FC(F)(F)[*:1] CC(C)(CNS(=O)(=O)c1cccc(c1)[*:1])NS(C)(=O)=O
CC[C@@H](C)[C@@H](C)Nc1nc(Br)cs1 CC[C@@H](C)[*:1] C[C@@H](Nc1nc(Br)cs1)[*:1]
Cc1ccccc1NC(=O)c1sc(=S)n(-c2ccccc2F)c1N Fc1ccccc1[*:1] Cc1ccccc1NC(=O)c1sc(=S)n(c1N)[*:1]
Cc1ccccc1NC(=O)c1sc(=S)n(-c2ccccc2F)c1N Cc1ccccc1[*:1] Nc1c(sc(=S)n1-c1ccccc1F)C(=O)N[*:1]
CC[C@H](C(=O)N1CCC(c2ccsc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCC(CC1)c1ccsc1)[*:1]
CC[C@H](C(=O)N1CCC(c2ccsc2)CC1)c1ccccc1 c1cc(cs1)[*:1] CC[C@H](C(=O)N1CCC(CC1)[*:1])c1ccccc1
O=C(/C=C\c1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1 C(=C[*:1])c1ccccc1 O=C(NCCS(=O)(=O)N1CCN(CC1)c1ccccc1Cl)[*:1]
O=C(/C=C\c1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1 c1ccc(cc1)[*:1] O=C(C=C[*:1])NCCS(=O)(=O)N1CCN(CC1)c1ccccc1Cl
O=C(/C=C\c1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(/C=C\c1ccccc1)NCCS(=O)(=O)N1CCN(CC1)[*:1]
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 C1CCc2nnc(n2CC1)[*:1] N#C/C(=C\c1ccc2OCOc2c1)C(=O)Nc1ccc(cc1)[*:1]
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 c1cc2OCOc2cc1[*:1] N#CC(=C[*:1])C(=O)Nc1ccc(cc1)-c1nnc2CCCCCn21
CC(C)c1ccc(/C=C2/NC(=O)NC2=O)cc1 CC(C)[*:1] O=C1NC(=O)/C(=C\c2ccc(cc2)[*:1])N1
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Nc2cnn(C)c2)c1 COC(=O)[*:1] Cn1cc(cn1)Nc1cccc(c1)C(=O)N[C@H]1CCC[C@H]1[*:1]
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Nc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(c1)N[*:1]
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Nc2cnn(C)c2)c1 Cn1cc(cn1)N[*:1] COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(c1)[*:1]
CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl CN(C)C(=O)[*:1] O=S(=O)(c1cc(ccc1Cl)C(F)(F)F)N1CCC[C@H]1[*:1]
CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(ccc1Cl)[*:1]
CC(C)CCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CC(C)CCNC(=O)c1ccc(Cl)c(c1)NS(=O)(=O)[*:1]
CC(C)CCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 CC(C)[*:1] O=C(NCC[*:1])c1ccc(Cl)c(c1)NS(=O)(=O)c1ccc(F)cc1
CC(C)CCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 CC(C)CC[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)NS(=O)(=O)c1ccc(F)cc1
CC(C)CCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 CC(C)C[*:1] O=C(NC[*:1])c1ccc(Cl)c(c1)NS(=O)(=O)c1ccc(F)cc1
CC(C)CCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 CC(C)CCNC(=O)[*:1] O=S(=O)(Nc1cc(ccc1Cl)[*:1])c1ccc(F)cc1
C[C@@H]1C[C@@H](C)CN(C(=O)CNc2ccc(F)c(C(N)=O)c2)C1 NC(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CNc1ccc(F)c(c1)[*:1]
Cc1cc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)c(OC(F)F)cc1C FC(F)O[*:1] Cc1cc(CN2CCN(CC2)C(=O)[C@@H]2C[C@@H]2C)c(cc1C)[*:1]
Cc1cc(CN2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)c(OC(F)F)cc1C FC(F)[*:1] Cc1cc(CN2CCN(CC2)C(=O)[C@@H]2C[C@@H]2C)c(cc1C)O[*:1]
CC(=O)c1ccccc1OCCN1C(=O)N(C)C2(CCCCC2)C1=O CC(=O)[*:1] CN1C(=O)N(CCOc2ccccc2[*:1])C(=O)C12CCCCC2
CS(=O)(=O)/N=C(\[O-])c1ccc(COc2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] CS(=O)(=O)/N=C(\[O-])c1ccc(CO[*:1])o1
CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCNC(=O)Nc1ccccc1 CC(C)(C)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)CCNC(=O)Nc1ccccc1
CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCNC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(cc1)C(C)(C)C)C(=O)CCNC(=O)N[*:1]
CCC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 NC(=O)[*:1] CCC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@H](CC[C@@H]1C)[*:1]
CCC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 CCC(C)(C)[*:1] C[C@H]1CC[C@H](CN1S(=O)(=O)c1ccc(cc1)[*:1])C(N)=O
CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 CCOC(=O)[*:1] CC(C)(C)OC(=O)Nc1cccc(c1)C(=O)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 CC(C)(C)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)NC(=O)O[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 CC(C)(C)OC(=O)N[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
O=C([O-])[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N1[C@H]2CCCC[C@H]2C[C@@H]1[*:1]
O=C([O-])[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C([O-])[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[*:1]
COCCn1nc(C)c(NC(=O)NCc2cc(F)ccc2F)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)NCc1cc(F)ccc1F
COCCn1nc(C)c(NC(=O)NCc2cc(F)ccc2F)c1C Fc1ccc(F)c(c1)[*:1] COCCn1nc(C)c(NC(=O)NC[*:1])c1C
COCCn1nc(C)c(NC(=O)NCc2cc(F)ccc2F)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)NCc1cc(F)ccc1F)[*:1]
COCCNc1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] Cc1ccccc1[*:1] COCCNc1ccc(cc1[N+](=O)[O-])-c1nc(no1)[*:1]
COCCNc1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] COC[*:1] Cc1ccccc1-c1noc(n1)-c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
COCCNc1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] COCCN[*:1] Cc1ccccc1-c1noc(n1)-c1ccc(c(c1)[N+](=O)[O-])[*:1]
COCCNc1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] COCC[*:1] Cc1ccccc1-c1noc(n1)-c1ccc(N[*:1])c(c1)[N+](=O)[O-]
COCCNc1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COCCNc1ccc(cc1[*:1])-c1nc(no1)-c1ccccc1C
CN(C)S(=O)(=O)c1cccc(CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCC2)c1 C1CCC(C1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)CSc1nc2cc(Cl)ccc2c(=O)n1[*:1]
CN(C)S(=O)(=O)c1cccc(CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCC2)c1 CN(C)S(=O)(=O)[*:1] O=c1c2ccc(Cl)cc2nc(SCc2cccc(c2)[*:1])n1C1CCCC1
COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(C)cc4)nc3C2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ccc(cc1)Nc1nc(C)c2C(=O)C[C@H](Cc2n1)[*:1]
COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(C)cc4)nc3C2)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(=O)c2c(C)nc(nc2C1)N[*:1]
COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(C)cc4)nc3C2)c(OC)c1 Cc1ccc(cc1)N[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(=O)c2c(C)nc(nc2C1)[*:1]
CC[C@@H](NC(=O)N(CC)C[C@H]1CCOC1)c1ccc(C)cc1 C1C[C@@H](CO1)[*:1] CC[C@@H](NC(=O)N(CC)C[*:1])c1ccc(C)cc1
CC[C@@H](NC(=O)N(CC)C[C@H]1CCOC1)c1ccc(C)cc1 C1C[C@@H](CO1)C[*:1] CC[C@@H](NC(=O)N(CC)[*:1])c1ccc(C)cc1
CC[C@@H](NC(=O)N(CC)C[C@H]1CCOC1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)N(CC)C[C@H]1CCOC1)[*:1]
O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(CN1CCN(C1=O)c1ccc(Cl)cc1)N[*:1]
O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)NC1CCCC1 Clc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])NC1CCCC1
CC(C)c1ccc(OCC(=O)N2CCC(Cn3cc[nH+]c3)CC2)cc1 CC(C)[*:1] O=C(COc1ccc(cc1)[*:1])N1CCC(CC1)Cn1cc[nH+]c1
CSc1ccc2nc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)sc2c1 Fc1ccc(cc1)[*:1] CSc1ccc2nc(sc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(CCSCc1nc2sc3CCCCc3c2c(=O)[nH]1)NC[*:1]
O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCc1ccc(Cl)cc1Cl Clc1ccc(C[*:1])c(Cl)c1 O=C(CCSCc1nc2sc3CCCCc3c2c(=O)[nH]1)N[*:1]
Cc1cc(N2CCC([NH+](C)Cc3ccc4nsnc4c3)CC2)nc(N)n1 Cc1cc(nc(N)n1)[*:1] C[NH+](Cc1ccc2nsnc2c1)C1CCN(CC1)[*:1]
O=c1ccc(I)cn1CC1CC1 C1CC1C[*:1] O=c1ccc(I)cn1[*:1]
O=c1ccc(I)cn1CC1CC1 C1CC1[*:1] O=c1ccc(I)cn1C[*:1]
COc1ccccc1-c1nnc2sc(-c3cncc(Br)c3)nn12 Brc1cncc(c1)[*:1] COc1ccccc1-c1nnc2sc(nn12)[*:1]
CCc1nnc(SCCC(=O)Nc2cccc(Br)c2)n1N Brc1cccc(c1)[*:1] CCc1nnc(SCCC(=O)N[*:1])n1N
O=C([O-])Cn1c(=O)c2cccn2c2ccccc21 O=C([O-])C[*:1] O=c1c2cccn2c2ccccc2n1[*:1]
O=C([O-])Cn1c(=O)c2cccn2c2ccccc21 O=C([O-])[*:1] O=c1c2cccn2c2ccccc2n1C[*:1]
c1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCCCO1)S2 C1CC[C@H](OC1)[*:1] c1ccc2S[C@@H](C[NH2+]C[*:1])Cc2c1
COc1ccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1
COc1ccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1S(=O)(=O)N1CCCC1 c1ccc2oc(cc2c1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)N[C@H](c1ccccc1)[*:1]
COc1ccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1S(=O)(=O)N1CCCC1 c1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)N[C@H](c1cc2ccccc2o1)[*:1]
O=C1[C@H]2C[C@H]2C(=O)N1Cc1csc(C2CCCCC2)n1 C1CCC(CC1)[*:1] O=C1[C@H]2C[C@H]2C(=O)N1Cc1csc(n1)[*:1]
O=C([O-])C1=Nc2nc3ccccc3n2[C@@H](c2cccc([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] O=C([O-])C1C[C@H](c2cccc(c2)[*:1])n2c(N=1)nc1ccccc12
COC(=O)c1ccc(NC(=O)Cc2nc(-c3cccs3)oc2C)s1 c1csc(c1)[*:1] COC(=O)c1ccc(NC(=O)Cc2nc(oc2C)[*:1])s1
COC(=O)c1ccc(NC(=O)Cc2nc(-c3cccs3)oc2C)s1 COC(=O)[*:1] Cc1oc(nc1CC(=O)Nc1ccc(s1)[*:1])-c1cccs1
COc1cccc2[nH]c(C(=O)NCc3ccccn3)cc12 c1ccc(C[*:1])nc1 COc1cccc2[nH]c(cc12)C(=O)N[*:1]
COc1cccc2[nH]c(C(=O)NCc3ccccn3)cc12 c1ccc(nc1)[*:1] COc1cccc2[nH]c(cc12)C(=O)NC[*:1]
NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(F)c(Br)c2)C1 NC(=O)CC[*:1] O=C(c1ccc(F)c(Br)c1)N1CCC[C@H](C1)[*:1]
NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(F)c(Br)c2)C1 NC(=O)C[*:1] O=C(c1ccc(F)c(Br)c1)N1CCC[C@H](C1)C[*:1]
NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(F)c(Br)c2)C1 NC(=O)[*:1] O=C(c1ccc(F)c(Br)c1)N1CCC[C@@H](CC[*:1])C1
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NNC(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccc1)NNC(=O)N[*:1]
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NNC(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccc1)NNC(=O)Nc1cccc(c1)[*:1]
O=C(CC[NH+]1CCN(c2ccccc2)CC1)NNC(=O)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])NNC(=O)Nc1cccc(c1)C(F)(F)F
COc1ccccc1-n1cc(C(=O)N2CCN(C)[C@@H](CCO)C2)cn1 COc1ccccc1[*:1] CN1CCN(C[C@@H]1CCO)C(=O)c1cnn(c1)[*:1]
COc1ccccc1-n1cc(C(=O)N2CCN(C)[C@@H](CCO)C2)cn1 OCC[*:1] COc1ccccc1-n1cc(cn1)C(=O)N1CCN(C)[C@@H](C1)[*:1]
Cc1ccc2cc(C[NH+](C)CCc3ccccc3)c(=O)n(Cc3ccccn3)c2c1 c1ccc(cc1)[*:1] Cc1ccc2cc(C[NH+](C)CC[*:1])c(=O)n(Cc3ccccn3)c2c1
Cc1ccc2cc(C[NH+](C)CCc3ccccc3)c(=O)n(Cc3ccccn3)c2c1 c1ccc(C[*:1])nc1 Cc1ccc2cc(C[NH+](C)CCc3ccccc3)c(=O)n(c2c1)[*:1]
Cc1ccc2cc(C[NH+](C)CCc3ccccc3)c(=O)n(Cc3ccccn3)c2c1 c1ccc(cc1)CC[*:1] Cc1ccc2cc(C[NH+](C)[*:1])c(=O)n(Cc3ccccn3)c2c1
Cc1ccc2cc(C[NH+](C)CCc3ccccc3)c(=O)n(Cc3ccccn3)c2c1 c1ccc(cc1)C[*:1] Cc1ccc2cc(C[NH+](C)C[*:1])c(=O)n(Cc3ccccn3)c2c1
Cc1ccc2cc(C[NH+](C)CCc3ccccc3)c(=O)n(Cc3ccccn3)c2c1 c1ccc(nc1)[*:1] Cc1ccc2cc(C[NH+](C)CCc3ccccc3)c(=O)n(C[*:1])c2c1
CN1CCc2ccccc2[C@@H]1CC(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CN1CCc2ccccc2[C@@H]1CC(=O)N1CCN(CC1)[*:1]
N#C[C@@H]1CN([C@@H]2CCCN(Cc3ccccc3)C2=O)CCO1 c1ccc(cc1)C[*:1] N#C[C@@H]1CN(CCO1)[C@@H]1CCCN(C1=O)[*:1]
N#C[C@@H]1CN([C@@H]2CCCN(Cc3ccccc3)C2=O)CCO1 c1ccc(cc1)[*:1] N#C[C@@H]1CN(CCO1)[C@@H]1CCCN(C[*:1])C1=O
CC(C)[C@@H](C)C(=O)N1CC=C(c2ccccc2Cl)CC1 CC(C)[*:1] C[C@@H](C(=O)N1CC=C(CC1)c1ccccc1Cl)[*:1]
CC(C)[C@@H](C)C(=O)N1CC=C(c2ccccc2Cl)CC1 CC(C)[C@@H](C)[*:1] O=C(N1CC=C(CC1)c1ccccc1Cl)[*:1]
O=C1C[C@H](C(=O)N(Cc2ccco2)C2CCCC2)c2ccccc2N1 C1CCC(C1)[*:1] O=C1C[C@H](C(=O)N(Cc2ccco2)[*:1])c2ccccc2N1
O=C1C[C@H](C(=O)N(Cc2ccco2)C2CCCC2)c2ccccc2N1 c1coc(c1)[*:1] O=C1C[C@H](C(=O)N(C[*:1])C2CCCC2)c2ccccc2N1
O=C1C[C@H](C(=O)N(Cc2ccco2)C2CCCC2)c2ccccc2N1 c1coc(c1)C[*:1] O=C1C[C@H](C(=O)N(C2CCCC2)[*:1])c2ccccc2N1
CCCC(=O)Nc1cccc(NC(=O)NC2CC[NH+](C3CC3)CC2)c1 CCC[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])NC1CC[NH+](CC1)C1CC1
CCCC(=O)Nc1cccc(NC(=O)NC2CC[NH+](C3CC3)CC2)c1 CCCC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])NC1CC[NH+](CC1)C1CC1
Cc1ccc(NC(=O)NC2CCCC2)cc1/C=C/C(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1C=C[*:1])NC(=O)NC1CCCC1
Cc1ccc(NC(=O)NC2CCCC2)cc1/C=C/C(=O)[O-] C1CCC(C1)[*:1] Cc1ccc(cc1/C=C/C(=O)[O-])NC(=O)N[*:1]
Cc1ccc(NC(=O)NC2CCCC2)cc1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] Cc1ccc(cc1[*:1])NC(=O)NC1CCCC1
Cc1ccccc1NC(=O)CSc1nnc([C@H]2CCCN2C(=O)c2ccccc2Cl)n1C Cc1ccccc1NC(=O)[*:1] Cn1c(nnc1[C@H]1CCCN1C(=O)c1ccccc1Cl)SC[*:1]
Cc1ccccc1NC(=O)CSc1nnc([C@H]2CCCN2C(=O)c2ccccc2Cl)n1C Cc1ccccc1[*:1] Cn1c(nnc1[C@H]1CCCN1C(=O)c1ccccc1Cl)SCC(=O)N[*:1]
Cc1ccccc1NC(=O)CSc1nnc([C@H]2CCCN2C(=O)c2ccccc2Cl)n1C Clc1ccccc1[*:1] Cc1ccccc1NC(=O)CSc1nnc([C@H]2CCCN2C(=O)[*:1])n1C
O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CCN(CC1)c1ncc(cc1Cl)[*:1]
O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)c1cnc(c(Cl)c1)[*:1] O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CCN(CC1)[*:1]
Cc1ccc(-c2nccc(N3CCN(C(=O)c4cc(C)ccc4C)CC3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C(=O)N1CCN(CC1)c1ccnc(n1)[*:1]
Cc1ccc(-c2nccc(N3CCN(C(=O)c4cc(C)ccc4C)CC3)n2)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)-c1nccc(n1)N1CCN(CC1)C(=O)[*:1]
C[C@H](NC(=O)[C@H]1CCCN(C2[NH+]=c3ccccc3=[NH+]2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)C1[NH+]=c2ccccc2=[NH+]1)[*:1]
C[C@H](NC(=O)[C@H]1CCCN(C2[NH+]=c3ccccc3=[NH+]2)C1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C1[NH+]=c2ccccc2=[NH+]1
CN1C(=O)Cc2cc(NS(=O)(=O)CCN3C(=O)CCCC3=O)ccc21 O=C1CCCC(=O)N1[*:1] CN1C(=O)Cc2cc(ccc21)NS(=O)(=O)CC[*:1]
CCS[C@H](/C([O-])=N/S(=O)(=O)c1ccc2c(c1)CCC2)C(C)C CCS[*:1] CC(C)[C@@H](/C([O-])=N/S(=O)(=O)c1ccc2CCCc2c1)[*:1]
CCS[C@H](/C([O-])=N/S(=O)(=O)c1ccc2c(c1)CCC2)C(C)C CC(C)[*:1] CCS[C@H](/C([O-])=N/S(=O)(=O)c1ccc2CCCc2c1)[*:1]
CCCN(C)C(=O)Nc1cc(Br)ccc1Br CCC[*:1] CN(C(=O)Nc1cc(Br)ccc1Br)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cn2cc(Br)ccc2n1 CC[C@@H](C)NC(=O)[*:1] C[C@@H](NC(=O)NCc1cn2cc(Br)ccc2n1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cn2cc(Br)ccc2n1 CC[C@@H](C)[*:1] C[C@@H](NC(=O)NCc1cn2cc(Br)ccc2n1)C(=O)N[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@@H](C)C[NH+]1CCCC1 Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC[C@@H](C)C[NH+]1CCCC1)[*:1]
COC(=O)Cn1/c(=N/C(=O)/C=C\c2ccc3c(c2)OCO3)sc2cc(C(=O)OC)ccc21 COC(=O)C[*:1] COC(=O)c1ccc2c(c1)s/c(=N\C(=O)/C=C\c1ccc3OCOc3c1)n2[*:1]
COC(=O)Cn1/c(=N/C(=O)/C=C\c2ccc3c(c2)OCO3)sc2cc(C(=O)OC)ccc21 COC(=O)[*:1] COC(=O)c1ccc2c(c1)s/c(=N\C(=O)/C=C\c1ccc3OCOc3c1)n2C[*:1]
COC(=O)Cn1/c(=N/C(=O)/C=C\c2ccc3c(c2)OCO3)sc2cc(C(=O)OC)ccc21 COC(=O)[*:1] COC(=O)Cn1/c(=N/C(=O)/C=C\c2ccc3OCOc3c2)sc2cc(ccc21)[*:1]
COC(=O)Cn1/c(=N/C(=O)/C=C\c2ccc3c(c2)OCO3)sc2cc(C(=O)OC)ccc21 c1cc2OCOc2cc1[*:1] COC(=O)Cn1/c(=N/C(=O)C=C[*:1])sc2cc(ccc21)C(=O)OC
Cc1cc(C)nc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1 Cc1cc(C)nc(n1)[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)[*:1]
Cc1cc(C)nc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1 NC(=O)[*:1] Cc1cc(C)nc(n1)N1CCC(CC1)Oc1ccnc(c1)[*:1]
Clc1cc(N2CCC[C@@H](Oc3ccccc3)C2)ncn1 c1ccc(cc1)[*:1] Clc1cc(ncn1)N1CCC[C@H](C1)O[*:1]
O=S(=O)([N-]c1cc(-c2ccsc2)no1)c1cccc(Cl)c1 c1cc(cs1)[*:1] O=S(=O)([N-]c1cc(no1)[*:1])c1cccc(Cl)c1
O=S(=O)([N-]c1cc(-c2ccsc2)no1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=S(=O)([N-]c1cc(no1)-c1ccsc1)[*:1]
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C(=O)[O-])cc3NS(C)(=O)=O)CC2)cc1 Cc1ccc(cc1)NC(=O)[*:1] CS(=O)(=O)Nc1cc(ccc1N1CC[NH+](CC1)C[*:1])C(=O)[O-]
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C(=O)[O-])cc3NS(C)(=O)=O)CC2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)NC(=O)C[NH+]1CCN(CC1)c1ccc(cc1NS(C)(=O)=O)[*:1]
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C(=O)[O-])cc3NS(C)(=O)=O)CC2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)Nc1cc(ccc1N1CC[NH+](CC1)CC(=O)N[*:1])C(=O)[O-]
Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C(=O)[O-])cc3NS(C)(=O)=O)CC2)cc1 CS(=O)(=O)N[*:1] Cc1ccc(cc1)NC(=O)C[NH+]1CCN(CC1)c1ccc(cc1[*:1])C(=O)[O-]
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc3c2OCCO3)C1 CC(C)(C)[*:1] O=C(N[C@H]1CCN(C1)C(=O)O[*:1])c1cccc2OCCOc21
O=C(C[C@H](c1cccs1)n1cccc1)NCc1cccnc1 c1cncc(c1)[*:1] O=C(C[C@H](c1cccs1)n1cccc1)NC[*:1]
O=C(C[C@H](c1cccs1)n1cccc1)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(C[C@H](c1cccs1)n1cccc1)N[*:1]
O=C(C[C@H](c1cccs1)n1cccc1)NCc1cccnc1 c1csc(c1)[*:1] O=C(C[C@H](n1cccc1)[*:1])NCc1cccnc1
O=C(C[C@H](c1cccs1)n1cccc1)NCc1cccnc1 c1ccn(c1)[*:1] O=C(C[C@H](c1cccs1)[*:1])NCc1cccnc1
CC(C)c1ocnc1CSCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CC(C)c1ocnc1CSCC(=O)N(C)[C@H](C)[*:1]
CC(C)c1ocnc1CSCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 CC(C)c1ocnc1[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSC[*:1]
CC(C)c1ocnc1CSCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 CC(C)[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSCc1ncoc1[*:1]
C[C@H](Cc1ccco1)NC(=O)c1cc(C2CC2)on1 c1coc(c1)C[*:1] C[C@H](NC(=O)c1cc(on1)C1CC1)[*:1]
C[C@H](Cc1ccco1)NC(=O)c1cc(C2CC2)on1 c1coc(c1)[*:1] C[C@H](C[*:1])NC(=O)c1cc(on1)C1CC1
C[C@H](Cc1ccco1)NC(=O)c1cc(C2CC2)on1 C1CC1[*:1] C[C@H](Cc1ccco1)NC(=O)c1cc(on1)[*:1]
CC[C@@H](NC(=O)NCC(=O)Nc1cccnc1)C(C)C c1cncc(c1)[*:1] CC[C@@H](NC(=O)NCC(=O)N[*:1])C(C)C
CC[C@@H](NC(=O)NCC(=O)Nc1cccnc1)C(C)C CC(C)[*:1] CC[C@@H](NC(=O)NCC(=O)Nc1cccnc1)[*:1]
CC[C@@H](NC(=O)NCC(=O)Nc1cccnc1)C(C)C CC[C@@H](C(C)C)[*:1] O=C(CNC(=O)N[*:1])Nc1cccnc1
Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O c1cncc(c1)[*:1] Cc1nc(sc1[C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)[C@H]3CSCCS3)CC2)cc1 CCO[*:1] O=C([C@H]1CSCCS1)N1CC=C(CC1)c1ccc(cc1)[*:1]
COc1cccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)c1 COc1cccc(c1)[*:1] Cn1c(=O)n(CCCO)c(=O)c2c1nc1N(CCCn12)[*:1]
COc1cccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)c1 OCCC[*:1] COc1cccc(c1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
COc1cccc(N2CCCn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)c1 OCC[*:1] COc1cccc(c1)N1CCCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
CC(=O)Nc1cccc(NC(=O)C2CN(c3nc4c(F)cccc4s3)C2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])C1CN(C1)c1nc2c(F)cccc2s1
Cc1cccc(/N=C2\NC(=O)S\C2=C/c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)/N=C1\NC(=O)SC1=C[*:1]
Cc1cccc(/N=C2\NC(=O)S\C2=C/c2ccccc2)c1 Cc1cccc(c1)[*:1] O=C1NC(=N[*:1])/C(=C/c2ccccc2)S1
C[C@@](O)(c1ccc(Cl)cc1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@@](O)(c1ccc(Cl)cc1)[C@H]1CCC[C@H](C1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)CCCC2CCCC2)C1 C1CCC(C1)[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)CCC[*:1]
CC(=O)N[C@H]1CCCN(C(=O)CCCC2CCCC2)C1 C1CCC(C1)C[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)CC[*:1]
CC(=O)N[C@H]1CCCN(C(=O)CCCC2CCCC2)C1 CC(=O)N[*:1] O=C(CCCC1CCCC1)N1CCC[C@@H](C1)[*:1]
COCCn1cc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cn1 COC[*:1] C[C@H](NC(=O)Nc1cnn(c1)C[*:1])c1ccc(F)c(F)c1
COCCn1cc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cn1 COCC[*:1] C[C@H](NC(=O)Nc1cnn(c1)[*:1])c1ccc(F)c(F)c1
CCOc1ccc(N2C(=O)CN(c3ccc(C(C)(C)C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 CC(C)(C)c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)CN([C@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CCOc1ccc(N2C(=O)CN(c3ccc(C(C)(C)C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 CCOc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)N1CC(=O)N([C@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CCOc1ccc(N2C(=O)CN(c3ccc(C(C)(C)C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 CCO[*:1] CC(C)(C)c1ccc(cc1)N1CC(=O)N(c2ccc(cc2)[*:1])[C@H]2CS(=O)(=O)C[C@@H]21
CCOc1ccc(N2C(=O)CN(c3ccc(C(C)(C)C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 CC(C)(C)[*:1] CCOc1ccc(cc1)N1C(=O)CN(c2ccc(cc2)[*:1])[C@H]2CS(=O)(=O)C[C@@H]21
COc1cc2nc(-c3c(C)cccc3[N+](=O)[O-])oc(=O)c2cc1OC O=[N+]([O-])[*:1] COc1cc2nc(oc(=O)c2cc1OC)-c1c(C)cccc1[*:1]
COC(=O)N[C@@H](C)CCc1ccccc1 COC(=O)N[*:1] C[C@@H](CCc1ccccc1)[*:1]
C[C@@H](NC(=O)N[C@H](C)c1nncn1C)c1ccc(-c2cncnc2)cc1 Cn1cnnc1[*:1] C[C@@H](NC(=O)N[C@H](C)[*:1])c1ccc(cc1)-c1cncnc1
C[C@@H](NC(=O)N[C@H](C)c1nncn1C)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@@H](NC(=O)N[C@H](C)c1nncn1C)c1ccc(cc1)[*:1]
O=C([O-])C[C@@H](O)[C@@H](O)C(=O)[O-] O=C([O-])[*:1] O=C([O-])C[C@@H](O)[C@@H](O)[*:1]
O=C([O-])C[C@@H](O)[C@@H](O)C(=O)[O-] O=C([O-])[*:1] O=C([O-])[C@H](O)[C@H](O)C[*:1]
CCC[C@H](C)NC(=O)[C@H](C)Oc1cc(Cl)ccc1Cl CCC[C@H](C)[*:1] C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N[*:1]
CCC[C@H](C)NC(=O)[C@H](C)Oc1cc(Cl)ccc1Cl CCC[*:1] C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)[*:1]
C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1F C1CCN(CC1)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)[*:1])c1ccc(F)cc1F
C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)N1CCCCC1)[*:1]
C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(cc1)O[*:1]
CC1(NC(=O)NCc2nnc(-c3ccccc3)s2)Cc2ccccc2C1 c1ccc(cc1)[*:1] CC1(Cc2ccccc2C1)NC(=O)NCc1nnc(s1)[*:1]
COCC[C@@](C)(O)c1ccc(Cl)cc1F COC[*:1] C[C@@](O)(C[*:1])c1ccc(Cl)cc1F
COCC[C@@](C)(O)c1ccc(Cl)cc1F COCC[*:1] C[C@@](O)(c1ccc(Cl)cc1F)[*:1]
CC1=C2[C@H](c3ccc(C(F)(F)F)cc3)CC(=O)N[C@@H]2N(c2ccc([O-])nn2)N1 FC(F)(F)[*:1] CC1NN(c2ccc([O-])nn2)[C@H]2NC(=O)C[C@H](C=12)c1ccc(cc1)[*:1]
C[C@@H](CNS(=O)(=O)c1ccccc1Br)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNS(=O)(=O)c1ccccc1Br)N(C)[*:1]
C[C@@H](CNS(=O)(=O)c1ccccc1Br)N(C)c1ccccc1 Brc1ccccc1[*:1] C[C@@H](CNS(=O)(=O)[*:1])N(C)c1ccccc1
COc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc(OC)c1OC c1ccc2sc(nc2c1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1NC(=O)NC(=C1[*:1])c1ccccc1
COc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1NC(=O)NC(=C1c1nc2ccccc2s1)[*:1]
O=C(NCc1cccc2ccccc12)NCC1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(NCc1cccc2ccccc12)NCC1(CCOCC1)[*:1]
C[C@H]1CN(c2cc(N)cc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@@H](C)[NH2+]1)c1cc(N)cc(c1)[*:1]
C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C O=C([O-])[*:1] C[C@H](CC[*:1])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C
C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C O=C([O-])C[*:1] C[C@H](C[*:1])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C
C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C C[C@H](CCC(=O)[O-])[*:1] C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1C2=CC(=O)[C@@]2(C)[C@@H]1CC[C@@H]2[*:1]
C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C O=C([O-])CC[*:1] C[C@H]([C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-c4nc(-c5ccccc5)co4)cc3)CC2=O)cc1 c1ccc(cc1)-c1coc(n1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-c4nc(-c5ccccc5)co4)cc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1nc(co1)-c1ccccc1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-c4nc(-c5ccccc5)co4)cc3)CC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)-c1nc(co1)[*:1]
CC[C@@H](CO)N1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 CC[C@@H](CO)[*:1] c1nc(c2c3CCCCc3sc2n1)N1CCN(CC1)[*:1]
C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(CO)cc1F c1coc(c1)[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1ccc(cc1F)CO
C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(CO)cc1F c1coc(c1)C[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1F)CO)[*:1]
CC[C@H](C)C(=O)NCC(=O)O[C@@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[C@H](C)C(=O)NCC(=O)O[C@@H](C)[*:1]
CC[C@H](C)C(=O)NCC(=O)O[C@@H](C)c1ccc(Cl)s1 CC[C@H](C)[*:1] C[C@H](OC(=O)CNC(=O)[*:1])c1ccc(Cl)s1
C[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 C[C@@H](C#N)OC(=O)[*:1] O=S(=O)([N-]c1ccc(cc1)[*:1])c1ccc(Cl)c(Cl)c1
C[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 Clc1ccc(cc1Cl)[*:1] C[C@@H](C#N)OC(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2cccc3c2OCO3)c1 CC(=O)N[*:1] C[C@@H](NC(=O)NCc1cccc2OCOc12)c1cccc(c1)[*:1]
COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)c(OC)c1 Fc1ccc(cc1)[*:1] COc1ccc(-c2nnc(o2)SCC(=O)[*:1])c(c1)OC
COc1ccc(CN2CC[NH+](Cc3cc(C[NH+]4CCCCC4)cs3)CCC2=O)cc1 COc1ccc(cc1)[*:1] O=C1CC[NH+](CCN1C[*:1])Cc1cc(cs1)C[NH+]1CCCCC1
COc1ccc(CN2CC[NH+](Cc3cc(C[NH+]4CCCCC4)cs3)CCC2=O)cc1 COc1ccc(cc1)C[*:1] O=C1CC[NH+](CCN1[*:1])Cc1cc(cs1)C[NH+]1CCCCC1
CCC(CC)c1nnc(NC(=O)N2C[C@H]3CCCC[C@H]3C2)s1 CCC(CC)[*:1] O=C(Nc1nnc(s1)[*:1])N1C[C@H]2CCCC[C@H]2C1
COc1ccc(F)c(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(F)c(c1)NC(=O)C=C(c1ccccc1)[*:1]
COc1ccc(F)c(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)c1 c1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)/C=C(\C(F)(F)F)[*:1]
NC(=O)[C@@H](Sc1ncnc2sccc12)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](Sc1ncnc2sccc12)[*:1]
NC(=O)[C@@H](Sc1ncnc2sccc12)c1ccccc1 NC(=O)[*:1] c1ccc(cc1)[C@H](Sc1ncnc2sccc12)[*:1]
COc1ccc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)c(Cl)c1 Fc1ccc(c(F)c1)[*:1] COc1ccc(NC(=O)c2cn(C)nc2[*:1])c(Cl)c1
Cc1cccc([C@H](CNC(=O)N2CCC[C@H](C)C2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] C[C@H]1CCCN(C1)C(=O)NC[C@H](N1CCOCC1)[*:1]
Cc1cccc([C@H](CNC(=O)N2CCC[C@H](C)C2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@H](CNC(=O)N1CCC[C@H](C)C1)[*:1]
CCCn1c(C)nnc1CC(=O)OCC CCOC(=O)[*:1] CCCn1c(C)nnc1C[*:1]
CCCn1c(C)nnc1CC(=O)OCC CCC[*:1] CCOC(=O)Cc1nnc(C)n1[*:1]
COc1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)C(=O)NC1CC[NH+](CC1)[*:1]
COc1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 COc1cccc(c1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)C(=O)N[*:1]
COc1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)C(=O)NC1CC[NH+](CC1)C[*:1]
C[C@@H]1CN(S(=O)(=O)c2cncc(C#CCO)c2)C[C@@H]1C OCC#C[*:1] C[C@@H]1CN(C[C@@H]1C)S(=O)(=O)c1cncc(c1)[*:1]
C=C(C)COc1cc2oc(=O)c(CC(=O)N3CCC[C@H](C(=O)[O-])C3)c(C)c2cc1Cl C=C(C)CO[*:1] Cc1c(CC(=O)N2CCC[C@@H](C2)C(=O)[O-])c(=O)oc2cc(c(Cl)cc12)[*:1]
C=C(C)COc1cc2oc(=O)c(CC(=O)N3CCC[C@H](C(=O)[O-])C3)c(C)c2cc1Cl O=C([O-])[*:1] C=C(C)COc1cc2oc(=O)c(CC(=O)N3CCC[C@H](C3)[*:1])c(C)c2cc1Cl
C=C(C)COc1cc2oc(=O)c(CC(=O)N3CCC[C@H](C(=O)[O-])C3)c(C)c2cc1Cl C=C(C)C[*:1] Cc1c(CC(=O)N2CCC[C@@H](C2)C(=O)[O-])c(=O)oc2cc(O[*:1])c(Cl)cc12
C=C(C)COc1cc2oc(=O)c(CC(=O)N3CCC[C@H](C(=O)[O-])C3)c(C)c2cc1Cl C=C(C)[*:1] Cc1c(CC(=O)N2CCC[C@@H](C2)C(=O)[O-])c(=O)oc2cc(OC[*:1])c(Cl)cc12
Cc1ccc(NC(=O)c2cccnc2SCc2c(C)noc2C)nc1 Cc1noc(C)c1C[*:1] Cc1ccc(nc1)NC(=O)c1cccnc1S[*:1]
Cc1ccc(NC(=O)c2cccnc2SCc2c(C)noc2C)nc1 Cc1ccc(nc1)[*:1] Cc1noc(C)c1CSc1ncccc1C(=O)N[*:1]
Cc1ccc(NC(=O)c2cccnc2SCc2c(C)noc2C)nc1 Cc1noc(C)c1[*:1] Cc1ccc(nc1)NC(=O)c1cccnc1SC[*:1]
CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CC=CCC1 CN(C)C(=O)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])C(=O)N[C@H]1CC=CCC1
C[C@@H](O)CC(C)(C)CNC(=O)c1c(F)cccc1Br C[C@@H](O)[*:1] CC(C)(CNC(=O)c1c(F)cccc1Br)C[*:1]
O=c1ccc([N+](=O)[O-])cn1Cc1ccc(Br)cc1F O=[N+]([O-])[*:1] O=c1ccc(cn1Cc1ccc(Br)cc1F)[*:1]
CCOC(=O)C1CCC([NH+]2CCC(OCc3ccccc3)CC2)CC1 c1ccc(cc1)C[*:1] CCOC(=O)C1CCC(CC1)[NH+]1CCC(CC1)O[*:1]
CCOC(=O)C1CCC([NH+]2CCC(OCc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1CCC(CC1)[NH+]1CCC(CC1)OC[*:1]
CCOC(=O)C1CCC([NH+]2CCC(OCc3ccccc3)CC2)CC1 c1ccc(cc1)CO[*:1] CCOC(=O)C1CCC(CC1)[NH+]1CCC(CC1)[*:1]
CCOC(=O)C1CCC([NH+]2CCC(OCc3ccccc3)CC2)CC1 CCOC(=O)[*:1] c1ccc(cc1)COC1CC[NH+](CC1)C1CCC(CC1)[*:1]
C[C@@](O)(C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@](O)(C(=O)N/N=C/c1ccc(Br)cc1)[*:1]
C[C@@](O)(C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1 Brc1ccc(cc1)[*:1] C[C@@](O)(C(=O)NN=C[*:1])c1ccccc1
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 CC(C)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O)[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 CC(C)[C@@H](C)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)C(=O)N[*:1])c1=O
CC(C)c1cc(N2C[C@H](C(N)=O)CC[C@H]2C)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1cc(nc([nH+]1)[*:1])N1C[C@@H](CC[C@H]1C)C(N)=O
CC(C)c1cc(N2C[C@H](C(N)=O)CC[C@H]2C)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1nc(cc([nH+]1)[*:1])N1C[C@@H](CC[C@H]1C)C(N)=O
CC(C)c1cc(N2C[C@H](C(N)=O)CC[C@H]2C)nc(C(C)C)[nH+]1 NC(=O)[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N1C[C@H](CC[C@H]1C)[*:1]
O=C(NCc1ccccc1C#CCCO)N[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] O=C(NCc1ccccc1C#CCCO)N[*:1]
O=C(NCc1ccccc1C#CCCO)N[C@H]1CCOC1 OCCC#C[*:1] O=C(NCc1ccccc1[*:1])N[C@H]1CCOC1
O=C(NCc1ccccc1C#CCCO)N[C@H]1CCOC1 OCC[*:1] O=C(NCc1ccccc1C#C[*:1])N[C@H]1CCOC1
Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc[nH+]cc4)[C@@H]3C2=O)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1)N1C(=O)[C@H]2ON([C@H](c3cc[nH+]cc3)[C@@H]2C1=O)[*:1]
Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc[nH+]cc4)[C@@H]3C2=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C1[C@H]2ON(c3ccccc3)[C@H](c3cc[nH+]cc3)[C@@H]2C(=O)N1[*:1]
Cn1ncc2c(N3CCCN(C(=O)c4ccccc4)CC3)ncnc21 c1ccc(cc1)[*:1] Cn1ncc2c(ncnc21)N1CCCN(CC1)C(=O)[*:1]
COC(=O)[C@H](C)Nc1ccc(C(N)=O)nn1 COC(=O)[*:1] C[C@H](Nc1ccc(nn1)C(N)=O)[*:1]
COC(=O)[C@H](C)Nc1ccc(C(N)=O)nn1 NC(=O)[*:1] COC(=O)[C@H](C)Nc1ccc(nn1)[*:1]
C[C@@H]1CC[NH2+][C@H](c2ccc(C3CC3)cc2)S1 C1CC1[*:1] C[C@@H]1CC[NH2+][C@@H](S1)c1ccc(cc1)[*:1]
CC(C)Cn1nccc1NC(=O)CCCn1ccnn1 CC(C)[*:1] O=C(CCCn1ccnn1)Nc1ccnn1C[*:1]
CC(C)Cn1nccc1NC(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 CC(C)Cn1nccc1NC(=O)CC[*:1]
CC(C)Cn1nccc1NC(=O)CCCn1ccnn1 CC(C)C[*:1] O=C(CCCn1ccnn1)Nc1ccnn1[*:1]
CC(C)Cn1nccc1NC(=O)CCCn1ccnn1 c1cn(nn1)[*:1] CC(C)Cn1nccc1NC(=O)CCC[*:1]
Cc1ccc(C)c(S(=O)(=O)/N=C(\[O-])CCCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)/N=C(\[O-])CC[*:1]
Cc1ccc(C)c(S(=O)(=O)/N=C(\[O-])CCCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)/N=C(\[O-])CCC[*:1]
Cc1ccc(C)c(S(=O)(=O)/N=C(\[O-])CCCc2ccc(Cl)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=S(=O)(/N=C(\[O-])CCCc1ccc(Cl)cc1)[*:1]
COc1ccc(-c2coc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 CC(C)C(=O)O[*:1] COc1ccc(cc1)-c1coc2cc(ccc2c1=O)[*:1]
COc1ccc(-c2coc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 CC(C)[*:1] COc1ccc(cc1)-c1coc2cc(ccc2c1=O)OC(=O)[*:1]
COc1ccc(-c2coc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 COc1ccc(cc1)[*:1] CC(C)C(=O)Oc1ccc2c(=O)c(coc2c1)[*:1]
C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1CO)c1c[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1CO)c1c[nH]c2ccc(cc12)[*:1]
Cc1nc2ccc(NC(=O)NCc3ccccc3F)cc2o1 Fc1ccccc1[*:1] Cc1nc2ccc(cc2o1)NC(=O)NC[*:1]
Cc1c(C(=O)N2CCC(OCc3ccccc3)CC2)oc2c1C(=O)CCC2 c1ccc(cc1)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N1CCC(CC1)OC[*:1]
Cc1c(C(=O)N2CCC(OCc3ccccc3)CC2)oc2c1C(=O)CCC2 c1ccc(cc1)CO[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N1CCC(CC1)[*:1]
Cc1c(C(=O)N2CCC(OCc3ccccc3)CC2)oc2c1C(=O)CCC2 c1ccc(cc1)C[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N1CCC(CC1)O[*:1]
CC(C)CN(CC(N)=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C NC(=O)C[*:1] CC(C)CN(C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)[*:1]
CC(C)CN(CC(N)=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C CC(C)[*:1] C[C@H]1[C@H](CCN1C(=O)N(CC(N)=O)C[*:1])C(=O)[O-]
CC(C)CN(CC(N)=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C CC(C)C[*:1] C[C@H]1[C@H](CCN1C(=O)N(CC(N)=O)[*:1])C(=O)[O-]
CC(C)CN(CC(N)=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C NC(=O)[*:1] CC(C)CN(C[*:1])C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C
CC(C)CN(CC(N)=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] CC(C)CN(CC(N)=O)C(=O)N1CC[C@H]([C@@H]1C)[*:1]
Cc1noc2ncnc(NCc3nc(C(C)(C)C)cs3)c12 CC(C)(C)[*:1] Cc1noc2ncnc(NCc3nc(cs3)[*:1])c12
O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccno1 O=C(N[*:1])c1ccno1 O=C1C[C@H](CN1c1ccccc1)c1nnc(o1)[*:1]
O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccno1 c1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[C@@H]1CC(=O)N(C1)[*:1])c1ccno1
O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccno1 c1cc(on1)[*:1] O=C1C[C@H](CN1c1ccccc1)c1nnc(NC(=O)[*:1])o1
CC(C)CN(C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 CC(C)C[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N(C1CC1)[*:1]
CC(C)CN(C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)CN(C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC1 CC(C)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N(C[*:1])C1CC1
Cc1cc(C(F)(F)F)cnc1C=O FC(F)(F)[*:1] Cc1cc(cnc1C=O)[*:1]
CCCc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 CCC[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C(=O)C1)c1ccc(cc1)[*:1]
CCCc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 CC(C)(C)[*:1] CCCc1ccc(cc1)[C@H]1CCN(CC1=O)C(=O)O[*:1]
C[NH+](C)C1(CNC(=O)c2ccccc2Br)CCCCCC1 Brc1ccccc1[*:1] C[NH+](C)C1(CCCCCC1)CNC(=O)[*:1]
O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])C1CCN(CC1)c1cc(ncn1)Oc1ccccc1
O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 c1cc2OCOc2cc1C[*:1] O=C(N[*:1])C1CCN(CC1)c1cc(ncn1)Oc1ccccc1
O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 c1ccc(cc1)O[*:1] O=C(NCc1ccc2OCOc2c1)C1CCN(CC1)c1cc(ncn1)[*:1]
O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 c1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)C1CCN(CC1)c1cc(ncn1)O[*:1]
COc1ccc(-c2noc(-c3[nH]c(C)c(C(C)=O)c3C)n2)cc1 CC(=O)[*:1] COc1ccc(cc1)-c1noc(n1)-c1[nH]c(C)c(c1C)[*:1]
CCn1c(C2CCN(C(=O)C3CCCC3)CC2)nn(CCOC)c1=O COC[*:1] CCn1c(nn(C[*:1])c1=O)C1CCN(CC1)C(=O)C1CCCC1
CCn1c(C2CCN(C(=O)C3CCCC3)CC2)nn(CCOC)c1=O COCC[*:1] CCn1c(nn(c1=O)[*:1])C1CCN(CC1)C(=O)C1CCCC1
CCn1c(C2CCN(C(=O)C3CCCC3)CC2)nn(CCOC)c1=O C1CCC(C1)[*:1] CCn1c(nn(CCOC)c1=O)C1CCN(CC1)C(=O)[*:1]
C[C@@H](SCC(=O)N1CCCCCCC1)c1nc(-c2cccs2)no1 c1csc(c1)[*:1] C[C@@H](SCC(=O)N1CCCCCCC1)c1nc(no1)[*:1]
O=C(N1CCC(CNS(=O)(=O)CCC2CC2)CC1)C(F)(F)F FC(F)(F)[*:1] O=C(N1CCC(CC1)CNS(=O)(=O)CCC1CC1)[*:1]
O=C(N1CCC(CNS(=O)(=O)CCC2CC2)CC1)C(F)(F)F C1CC1C[*:1] O=C(N1CCC(CC1)CNS(=O)(=O)C[*:1])C(F)(F)F
O=C(N1CCC(CNS(=O)(=O)CCC2CC2)CC1)C(F)(F)F C1CC1[*:1] O=C(N1CCC(CC1)CNS(=O)(=O)CC[*:1])C(F)(F)F
O=C(N1CCC(CNS(=O)(=O)CCC2CC2)CC1)C(F)(F)F C1CC1CC[*:1] O=C(N1CCC(CC1)CNS(=O)(=O)[*:1])C(F)(F)F
C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCCNC(=O)C1CCCC1 c1ccc(cc1)[*:1] C[C@H]1CO[C@@H]([C@H](C)N1CCCNC(=O)C1CCCC1)[*:1]
C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCCNC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCCNC(=O)[*:1]
C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCCNC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCC[*:1]
CCOC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(OC)cc3OC)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 CCOC(=O)[*:1] COc1ccc(c(c1)OC)N1C(=O)[C@@H]2[C@H](N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O)[*:1]
CCOC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(OC)cc3OC)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 COc1ccc(c(c1)OC)[*:1] CCOC(=O)[C@@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12)[*:1]
O=C(Nc1ccc2[nH]ncc2c1)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(Nc1ccc2[nH]ncc2c1)c1cnc(C[*:1])s1
O=C(Nc1ccc2[nH]ncc2c1)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] O=C(Nc1ccc2[nH]ncc2c1)c1cnc(s1)[*:1]
COc1cc(C#N)ccc1OC(=O)c1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] COc1cc(C#N)ccc1OC(=O)c1ccc(cc1)O[*:1]
COc1cc(C#N)ccc1OC(=O)c1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] COc1cc(C#N)ccc1OC(=O)c1ccc(cc1)[*:1]
CC(C)=CC(=O)N[C@@H](C)CCCO OCCC[*:1] CC(C)=CC(=O)N[C@@H](C)[*:1]
CC(C)=CC(=O)N[C@@H](C)CCCO OCC[*:1] CC(C)=CC(=O)N[C@@H](C)C[*:1]
CC(C)=CC(=O)N[C@@H](C)CCCO CC(C)=C[*:1] C[C@@H](CCCO)NC(=O)[*:1]
COc1ccccc1N1C[C@@H](C(=O)Oc2ccccc2)CC1=O c1ccc(cc1)[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)O[*:1]
NS(=O)(=O)c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 NS(=O)(=O)[*:1] O=C(Cc1cc(Cl)c2OCCCOc2c1)Nc1ccc(cc1)[*:1]
COC(=O)N[C@@H](OC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] COC(=O)N[C@@H](OC(=O)c1ccc(Cl)cc1)[*:1]
COC(=O)N[C@@H](OC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl COC(=O)N[*:1] O=C(O[C@@H](C(Cl)(Cl)Cl)[*:1])c1ccc(Cl)cc1
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1 Clc1ccc(c(Cl)c1)[*:1] O=C(NN=C[*:1])c1cc(n[nH]1)-c1ccc(F)cc1
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1 Fc1ccc(cc1)[*:1] O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cc(n[nH]1)[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)ccc1F CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(F)c(c1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)ccc1F CC(C)NS(=O)(=O)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(F)c(c1)[*:1]
CCN(Cc1ccccc1)C[C@H]1CCC(C)(C)[C@@H]1[NH3+] c1ccc(cc1)[*:1] CCN(C[C@H]1CCC(C)(C)[C@@H]1[NH3+])C[*:1]
C[C@H](O)c1ccccc1OC[C@@H]1COc2ccccc21 C[C@H](O)[*:1] c1ccc2c(c1)OC[C@H]2COc1ccccc1[*:1]
Cc1[nH]ncc1CCCNC(=O)N1CCC([NH+]2CCCC2)CC1 Cc1[nH]ncc1C[*:1] O=C(NCC[*:1])N1CCC(CC1)[NH+]1CCCC1
Cc1[nH]ncc1CCCNC(=O)N1CCC([NH+]2CCCC2)CC1 Cc1[nH]ncc1[*:1] O=C(NCCC[*:1])N1CCC(CC1)[NH+]1CCCC1
CCN(CC(=O)NC(=O)NCc1ccco1)c1ccc(F)c(F)c1 c1coc(c1)C[*:1] CCN(CC(=O)NC(=O)N[*:1])c1ccc(F)c(F)c1
CCN(CC(=O)NC(=O)NCc1ccco1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCN(CC(=O)NC(=O)NCc1ccco1)[*:1]
CCN(CC(=O)NC(=O)NCc1ccco1)c1ccc(F)c(F)c1 c1coc(c1)[*:1] CCN(CC(=O)NC(=O)NC[*:1])c1ccc(F)c(F)c1
O=C(c1ccc[n+]([O-])c1)N1CCN(C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(c1ccc[n+]([O-])c1)N1CCN(CC1)C[*:1]
O=C(c1ccc[n+]([O-])c1)N1CCN(C/C=C/c2ccccc2)CC1 [O-][n+]1cccc(c1)[*:1] O=C(N1CCN(C/C=C/c2ccccc2)CC1)[*:1]
O=C(c1ccc[n+]([O-])c1)N1CCN(C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc[n+]([O-])c1)N1CCN(CC=C[*:1])CC1
C[C@H](C(=O)NCCn1cccn1)n1ccc(N)n1 c1cnn(c1)[*:1] C[C@H](C(=O)NCC[*:1])n1ccc(N)n1
C[C@H](C(=O)NCCn1cccn1)n1ccc(N)n1 c1cnn(c1)C[*:1] C[C@H](C(=O)NC[*:1])n1ccc(N)n1
C[C@H](C(=O)NCCn1cccn1)n1ccc(N)n1 Nc1ccn(n1)[*:1] C[C@H](C(=O)NCCn1cccn1)[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3COC4(CCCCC4)O3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H]1COC2(CCCCC2)O1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc2sc(N(C[C@H]3CCCO3)C(=O)CCSc3ccccc3)nc2c1C c1ccc(cc1)[*:1] Cc1ccc2sc(nc2c1C)N(C[C@H]1CCCO1)C(=O)CCS[*:1]
Cc1ccc2sc(N(C[C@H]3CCCO3)C(=O)CCSc3ccccc3)nc2c1C c1ccc(cc1)S[*:1] Cc1ccc2sc(nc2c1C)N(C[C@H]1CCCO1)C(=O)CC[*:1]
Cc1ccc2sc(N(C[C@H]3CCCO3)C(=O)CCSc3ccccc3)nc2c1C c1ccc(cc1)SCC[*:1] Cc1ccc2sc(nc2c1C)N(C[C@H]1CCCO1)C(=O)[*:1]
Cc1ccc2sc(N(C[C@H]3CCCO3)C(=O)CCSc3ccccc3)nc2c1C c1ccc(cc1)SC[*:1] Cc1ccc2sc(nc2c1C)N(C[C@H]1CCCO1)C(=O)C[*:1]
COCc1nc2cc(NC(=O)Cc3ccc(OC)c(OC)c3)ccc2[nH]1 COC[*:1] COc1ccc(cc1OC)CC(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
NNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 NNC(=O)[*:1] O=C1C[C@@H](CN1c1ccc(F)c(Cl)c1)[*:1]
CCc1cc(C(=O)Nc2ccc(N3CCCC3)nc2)sc1C C1CCN(C1)[*:1] CCc1cc(sc1C)C(=O)Nc1ccc(nc1)[*:1]
CCCOc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2CCN2CCOCC2)cc1 CCC[*:1] O=C1c2oc3c(ccc4ccccc43)c(=O)c2[C@H](c2ccc(cc2)O[*:1])N1CCN1CCOCC1
CCCOc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2CCN2CCOCC2)cc1 CCCO[*:1] O=C1c2oc3c(ccc4ccccc43)c(=O)c2[C@H](c2ccc(cc2)[*:1])N1CCN1CCOCC1
CCCOc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2CCN2CCOCC2)cc1 C1CN(CCO1)CC[*:1] CCCOc1ccc(cc1)[C@H]1c2c(oc3c(ccc4ccccc43)c2=O)C(=O)N1[*:1]
CCCOc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] CCCOc1ccc(cc1)[C@H]1c2c(oc3c(ccc4ccccc43)c2=O)C(=O)N1CC[*:1]
CCCOc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2CCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CCCOc1ccc(cc1)[C@H]1c2c(oc3c(ccc4ccccc43)c2=O)C(=O)N1C[*:1]
CCCOc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2CCN2CCOCC2)cc1 CCCOc1ccc(cc1)[*:1] O=C1c2oc3c(ccc4ccccc43)c(=O)c2[C@@H](N1CCN1CCOCC1)[*:1]
COc1ccc(-c2ccc(SCC(=O)Nc3c(C)[nH]c(=O)[nH]c3=O)nn2)cc1 COc1ccc(cc1)[*:1] Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CSc1ccc(nn1)[*:1]
COc1ccc(-c2ccc(SCC(=O)Nc3c(C)[nH]c(=O)[nH]c3=O)nn2)cc1 Cc1[nH]c(=O)[nH]c(=O)c1[*:1] COc1ccc(cc1)-c1ccc(nn1)SCC(=O)N[*:1]
O=C(Nc1cccc(Br)c1)c1ccc(OC2CSC2)cc1 C1SCC1[*:1] O=C(Nc1cccc(Br)c1)c1ccc(cc1)O[*:1]
O=C(Nc1cccc(Br)c1)c1ccc(OC2CSC2)cc1 Brc1cccc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)OC1CSC1
O=C(Nc1cccc(Br)c1)c1ccc(OC2CSC2)cc1 C1SCC1O[*:1] O=C(Nc1cccc(Br)c1)c1ccc(cc1)[*:1]
CC[C@H](CCO)NC(=O)C(=O)Nc1nn(-c2ccccc2Cl)cc1C OCC[*:1] CC[C@H](NC(=O)C(=O)Nc1nn(cc1C)-c1ccccc1Cl)[*:1]
CC[C@H](CCO)NC(=O)C(=O)Nc1nn(-c2ccccc2Cl)cc1C Clc1ccccc1[*:1] CC[C@H](CCO)NC(=O)C(=O)Nc1nn(cc1C)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cccnc1 CC(C)[*:1] C[C@@]1(NC(=O)NC1=O)c1ccc(cc1)C[NH2+][C@@H](c1cccnc1)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)[C@@]1(C)NC(=O)NC1=O)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cccnc1 C[C@]1(NC(=O)NC1=O)[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1cccnc1
CC(C)c1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)n1 CC(C)[*:1] Fc1cccc(c1)-c1nc(cc(n1)[*:1])N[C@@H]1CCC[NH2+]C1
CC(C)c1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] CC(C)c1cc(nc(n1)[*:1])N[C@@H]1CCC[NH2+]C1
COc1cccc(NC2CC[NH+](Cc3ncn(-c4ccccc4)n3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC1CC[NH+](CC1)Cc1ncn(n1)[*:1]
COc1cccc(NC2CC[NH+](Cc3ncn(-c4ccccc4)n3)CC2)c1 COc1cccc(c1)N[*:1] c1ccc(cc1)-n1cnc(C[NH+]2CCC(CC2)[*:1])n1
COc1cccc(NC2CC[NH+](Cc3ncn(-c4ccccc4)n3)CC2)c1 COc1cccc(c1)[*:1] c1ccc(cc1)-n1cnc(C[NH+]2CCC(CC2)N[*:1])n1
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CC(C)C)[C@H]3C[C@@H]12 CC(C)[*:1] C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]C[*:1])[C@H]3C[C@@H]12
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CC(C)C)[C@H]3C[C@@H]12 CC(C)C[*:1] C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][*:1])[C@H]3C[C@@H]12
C[C@@H]1CC(Oc2ccc(C(=O)[O-])nc2)C[C@@H](C)C1 O=C([O-])[*:1] C[C@@H]1CC(C[C@@H](C)C1)Oc1ccc(nc1)[*:1]
COc1ccc(Cl)cc1/C=C/C(=O)N(C)CC(=O)NC1CC1 C1CC1[*:1] COc1ccc(Cl)cc1/C=C/C(=O)N(C)CC(=O)N[*:1]
COc1ccc(Cl)cc1/C=C/C(=O)N(C)CC(=O)NC1CC1 O=C(C[*:1])NC1CC1 COc1ccc(Cl)cc1/C=C/C(=O)N(C)[*:1]
COc1ccc(Cl)cc1/C=C/C(=O)N(C)CC(=O)NC1CC1 O=C(NC1CC1)[*:1] COc1ccc(Cl)cc1/C=C/C(=O)N(C)C[*:1]
C[C@H](NC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(Cl)cc1 C1CC1[*:1] C[C@H](NC(=O)N1CCOC[C@H]1[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCOC[C@@H]1C1CC1)[*:1]
CC(C)CC[NH+](CCC1([NH3+])CCCC1)C1CCCC1 CC(C)CC[*:1] [NH3+]C1(CCCC1)CC[NH+](C1CCCC1)[*:1]
CC(C)CC[NH+](CCC1([NH3+])CCCC1)C1CCCC1 [NH3+]C1(CCCC1)[*:1] CC(C)CC[NH+](CC[*:1])C1CCCC1
CC(C)CC[NH+](CCC1([NH3+])CCCC1)C1CCCC1 C1CCC(C1)[*:1] CC(C)CC[NH+](CCC1([NH3+])CCCC1)[*:1]
CC(C)CC[NH+](CCC1([NH3+])CCCC1)C1CCCC1 CC(C)[*:1] [NH3+]C1(CCCC1)CC[NH+](CC[*:1])C1CCCC1
CC(C)CC[NH+](CCC1([NH3+])CCCC1)C1CCCC1 CC(C)C[*:1] [NH3+]C1(CCCC1)CC[NH+](C[*:1])C1CCCC1
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCn1cccc1 c1ccn(c1)C[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCn1cccc1 c1ccn(c1)CC[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCn1cccc1 c1ccn(c1)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCn1cccc1 c1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)NCCn1cccc1)[*:1]
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCn1cccc1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)NCCn1cccc1
O=C(Nc1ccccc1)c1cnc2scc(-c3ccc(F)cc3)n2c1=O Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1cnc2scc(n2c1=O)[*:1]
O=C(Nc1ccccc1)c1cnc2scc(-c3ccc(F)cc3)n2c1=O c1ccc(cc1)[*:1] O=C(N[*:1])c1cnc2scc(-c3ccc(F)cc3)n2c1=O
CC[C@H](NC(=O)COc1ccccc1C#N)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)COc1ccccc1C#N)[*:1]
CSc1nc(-c2ccccc2)c(NC(=O)COc2cccc(C)c2)s1 Cc1cccc(c1)[*:1] CSc1nc(-c2ccccc2)c(NC(=O)CO[*:1])s1
CSc1nc(-c2ccccc2)c(NC(=O)COc2cccc(C)c2)s1 c1ccc(cc1)[*:1] CSc1nc(c(NC(=O)COc2cccc(C)c2)s1)[*:1]
CSc1nc(-c2ccccc2)c(NC(=O)COc2cccc(C)c2)s1 Cc1cccc(c1)O[*:1] CSc1nc(-c2ccccc2)c(NC(=O)C[*:1])s1
O=C(COC(=O)c1cccc(C(F)(F)F)c1)NCc1cccs1 c1csc(c1)[*:1] O=C(COC(=O)c1cccc(c1)C(F)(F)F)NC[*:1]
O=C(COC(=O)c1cccc(C(F)(F)F)c1)NCc1cccs1 FC(F)(F)[*:1] O=C(COC(=O)c1cccc(c1)[*:1])NCc1cccs1
O=C(COC(=O)c1cccc(C(F)(F)F)c1)NCc1cccs1 c1csc(c1)C[*:1] O=C(COC(=O)c1cccc(c1)C(F)(F)F)N[*:1]
C#Cc1cccc(NCc2nc(C(F)(F)F)cc(=O)[nH]2)c1 FC(F)(F)[*:1] C#Cc1cccc(c1)NCc1nc(cc(=O)[nH]1)[*:1]
CC(C)CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)C1CC1 CC(C)C[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)N(C[*:1])C2CC2)C[C@H](C)O1
CC(C)CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)C1CC1 CC(C)[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)N(CC[*:1])C2CC2)C[C@H](C)O1
CC(C)CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)C1CC1 C1CC1[*:1] CC(C)CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)[*:1]
CC(C)CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)C1CC1 CC(C)CC[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)N(C2CC2)[*:1])C[C@H](C)O1
CC(C)C[NH+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C1CC1 C1CC1[*:1] CC(C)C[NH+](Cc1nnnn1-c1ccc(cc1)C(F)(F)F)[*:1]
CC(C)C[NH+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C1CC1 CC(C)C[*:1] FC(F)(F)c1ccc(cc1)-n1nnnc1C[NH+](C1CC1)[*:1]
CC(C)C[NH+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C1CC1 FC(F)(F)[*:1] CC(C)C[NH+](Cc1nnnn1-c1ccc(cc1)[*:1])C1CC1
CC(C)C[NH+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C1CC1 CC(C)[*:1] FC(F)(F)c1ccc(cc1)-n1nnnc1C[NH+](C[*:1])C1CC1
COC(=O)c1sccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] COC(=O)c1sccc1NS(=O)(=O)c1cc(ccc1C)[*:1]
COC(=O)c1sccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C COC(=O)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccsc1[*:1])[N+](=O)[O-]
CCOC[C@@H]1CCCN(C(=O)c2ccc(C)c(F)c2)C1 CCOC[*:1] Cc1ccc(cc1F)C(=O)N1CCC[C@H](C1)[*:1]
CCOC[C@@H]1CCCN(C(=O)c2ccc(C)c(F)c2)C1 CCO[*:1] Cc1ccc(cc1F)C(=O)N1CCC[C@H](C1)C[*:1]
CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1 CC(=O)N[*:1] C[C@H]([NH2+]CCOc1cccc(c1)[*:1])c1ccc2OCOc2c1
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1S(=O)(=O)N1CCCCC1 Clc1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])Nc1ccccc1S(=O)(=O)N1CCCCC1
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] O=C(CCc1ncc(o1)-c1ccc(Cl)cc1)Nc1ccccc1[*:1]
CC[C@H](C)C[C@@H](CC)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 CC[C@H](C)[*:1] CC[C@H](C[*:1])[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1
CC[C@H](C)C[C@@H](CC)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 CC[C@H](C)C[*:1] CC[C@@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)[*:1]
CCCN(CC1CC1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 CCC[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 C1CC1[*:1] CCCN(C[*:1])C(=O)c1sc2nc3CCCCCn3c(=O)c2c1C
CCCN(CC1CC1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 C1CC1C[*:1] CCCN(C(=O)c1sc2nc3CCCCCn3c(=O)c2c1C)[*:1]
Cc1ccc(C(=O)NNC(=O)[C@@H]2SCCc3sccc32)s1 Cc1ccc(s1)[*:1] O=C(NNC(=O)[*:1])[C@@H]1SCCc2sccc21
Cc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-c1nc2ccc(Cl)cn2c1NC[*:1]
Cc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccco2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)-c1nc2ccc(Cl)cn2c1N[*:1]
Cc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccco2)cc1 c1coc(c1)CN[*:1] Cc1ccc(cc1)-c1nc2ccc(Cl)cn2c1[*:1]
Cc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccco2)cc1 Cc1ccc(cc1)[*:1] Clc1ccc2nc(c(NCc3ccco3)n2c1)[*:1]
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1cccc(OCCC(C)C)c1 OCC[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N([C@@H]3c1cccc(c1)OCCC(C)C)[*:1]
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1cccc(OCCC(C)C)c1 CC(C)CC[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1cccc(c1)O[*:1]
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1cccc(OCCC(C)C)c1 CC(C)C[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1cccc(c1)OC[*:1]
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1cccc(OCCC(C)C)c1 CC(C)[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1cccc(c1)OCC[*:1]
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1cccc(OCCC(C)C)c1 CC(C)CCO[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccc(Br)cc2)C[C@@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])N(Cc1ccc(Br)cc1)C[C@@H]1CCCO1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccc(Br)cc2)C[C@@H]2CCCO2)cc1 Brc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N(C[C@@H]1CCCO1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2ccc(Br)cc2)C[C@@H]2CCCO2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N(C[C@@H]1CCCO1)C[*:1]
COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(Br)cc1/C=C/C(=O)N[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@H](C)NC(=O)/C=C\c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)/C=C\c1ccccc1)/C([O-])=N/S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@H](C)NC(=O)/C=C\c2ccccc2)cc1 C(=C[*:1])c1ccccc1 Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])[C@H](C)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@H](C)NC(=O)/C=C\c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])[C@H](C)NC(=O)C=C[*:1]
C/C(=C\C(=O)c1sccc1Cl)N(C)C CN(C)[*:1] CC(=CC(=O)c1sccc1Cl)[*:1]
Cc1cccc([C@H](N[C@@H]2CCOc3c(F)cccc32)c2ccccn2)c1 Cc1cccc(c1)[*:1] Fc1cccc2c1OCC[C@H]2N[C@H](c1ccccn1)[*:1]
Cc1cccc([C@H](N[C@@H]2CCOc3c(F)cccc32)c2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)[C@H](N[C@@H]1CCOc2c(F)cccc21)[*:1]
Cc1ccn2cc(-c3ccc(NC(=O)[C@H]4C[C@H]4C)cc3)nc2c1 C[C@@H]1C[C@@H]1C(=O)N[*:1] Cc1ccn2cc(nc2c1)-c1ccc(cc1)[*:1]
NC(=O)c1cccc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])NCC1CCN(CC1)c1cc[nH+]cc1
NC(=O)c1cccc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 NC(=O)c1cccc(c1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)NC[*:1]
COc1cccc(-c2cn[nH]c2C2CCN(c3cc(N)nc(N)n3)CC2)c1 COc1cccc(c1)[*:1] Nc1cc(nc(N)n1)N1CCC(CC1)c1[nH]ncc1[*:1]
COc1cccc(-c2cn[nH]c2C2CCN(c3cc(N)nc(N)n3)CC2)c1 Nc1cc(nc(N)n1)[*:1] COc1cccc(c1)-c1cn[nH]c1C1CCN(CC1)[*:1]
C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CC=CC[C@H]3C2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CC=CC[C@H]3C2)C(=O)N1[*:1]
CC[C@H](CSC)[NH2+][C@H](C)c1cccc(F)c1 CSC[*:1] CC[C@H]([NH2+][C@H](C)c1cccc(F)c1)[*:1]
CC(C)NC(=O)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 CC(C)[*:1] O=C(N[*:1])c1ccc(cc1)Cn1c(nc2cccnc21)SCc1cccc(F)c1
CC(C)NC(=O)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 CC(C)NC(=O)[*:1] Fc1cccc(c1)CSc1nc2cccnc2n1Cc1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 Fc1cccc(c1)C[*:1] CC(C)NC(=O)c1ccc(cc1)Cn1c(nc2cccnc21)S[*:1]
CC(C)NC(=O)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 Fc1cccc(c1)CS[*:1] CC(C)NC(=O)c1ccc(cc1)Cn1c(nc2cccnc21)[*:1]
CC(C)NC(=O)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 Fc1cccc(c1)[*:1] CC(C)NC(=O)c1ccc(cc1)Cn1c(nc2cccnc21)SC[*:1]
CC(C)C[C@@H]1COCCN1C(=O)c1ccc2nncn2c1 CC(C)[*:1] O=C(c1ccc2nncn2c1)N1CCOC[C@H]1C[*:1]
CC(C)C[C@@H]1COCCN1C(=O)c1ccc2nncn2c1 CC(C)C[*:1] O=C(c1ccc2nncn2c1)N1CCOC[C@H]1[*:1]
CC(=O)N(C)c1ccc(/N=C/c2ccc(F)cc2)cc1 CC(=O)N(C)[*:1] Fc1ccc(/C=N/c2ccc(cc2)[*:1])cc1
NC(=O)C[NH+](CCc1ccncc1)C1CCCC1 NC(=O)[*:1] c1cc(ccn1)CC[NH+](C[*:1])C1CCCC1
NC(=O)C[NH+](CCc1ccncc1)C1CCCC1 C1CCC(C1)[*:1] NC(=O)C[NH+](CCc1ccncc1)[*:1]
NC(=O)C[NH+](CCc1ccncc1)C1CCCC1 c1cc(ccn1)[*:1] NC(=O)C[NH+](CC[*:1])C1CCCC1
NC(=O)C[NH+](CCc1ccncc1)C1CCCC1 NC(=O)C[*:1] c1cc(ccn1)CC[NH+](C1CCCC1)[*:1]
CCNc1ncc(C(=O)Nc2cc(F)ccc2OC)s1 CCN[*:1] COc1ccc(F)cc1NC(=O)c1cnc(s1)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1 CC(C)=C[*:1] CCCC(=O)Nc1cccc(c1)CNC(=O)[C@@H]1[C@H](C1(C)C)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1 CCCC(=O)N[*:1] CC(C)=C[C@H]1[C@@H](C(=O)NCc2cccc(c2)[*:1])C1(C)C
CCCC(=O)Nc1cccc(CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1 CCC[*:1] CC(C)=C[C@H]1[C@@H](C(=O)NCc2cccc(c2)NC(=O)[*:1])C1(C)C
O=C(CCc1nc(Cc2ccccc2)no1)Nc1nc2cc(Cl)ccc2s1 c1ccc(cc1)[*:1] O=C(CCc1nc(C[*:1])no1)Nc1nc2cc(Cl)ccc2s1
O=C(CCc1nc(Cc2ccccc2)no1)Nc1nc2cc(Cl)ccc2s1 c1ccc(cc1)C[*:1] O=C(CCc1nc(no1)[*:1])Nc1nc2cc(Cl)ccc2s1
Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)N[*:1]
COCCNC(=O)c1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] COCCNC(=O)c1ccccc1O[*:1]
COCCNC(=O)c1ccccc1Oc1ccccc1 COC[*:1] O=C(NC[*:1])c1ccccc1Oc1ccccc1
COCCNC(=O)c1ccccc1Oc1ccccc1 COCC[*:1] O=C(N[*:1])c1ccccc1Oc1ccccc1
CCCc1ncc(C(=O)N(C)C[C@H](O)CN2CCOCC2)s1 C1CN(CCO1)C[*:1] CCCc1ncc(s1)C(=O)N(C)C[C@H](O)[*:1]
CCCc1ncc(C(=O)N(C)C[C@H](O)CN2CCOCC2)s1 CCC[*:1] CN(C[C@H](O)CN1CCOCC1)C(=O)c1cnc(s1)[*:1]
CCCc1ncc(C(=O)N(C)C[C@H](O)CN2CCOCC2)s1 C1CN(CCO1)[*:1] CCCc1ncc(s1)C(=O)N(C)C[C@H](O)C[*:1]
C[C@H](NC(=O)CN(C)S(C)(=O)=O)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@H](NC(=O)CN(C)S(C)(=O)=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CN(C)S(C)(=O)=O)c1ccc(-n2cccn2)cc1 CN(C[*:1])S(C)(=O)=O C[C@H](NC(=O)[*:1])c1ccc(cc1)-n1cccn1
C[C@H](NC(=O)CN(C)S(C)(=O)=O)c1ccc(-n2cccn2)cc1 CN(S(C)(=O)=O)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-n1cccn1
COc1ccc(-c2csc(/C(C#N)=C/c3cc(Cl)c(O)c(Cl)c3)n2)cc1OC Oc1c(Cl)cc(cc1Cl)[*:1] COc1ccc(cc1OC)-c1csc(n1)C(C#N)=C[*:1]
C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(NC(N)=O)cc1 Clc1ccc(cn1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(cc1)NC(N)=O
C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(cc1)[*:1]
COCc1cc(NC(=O)N[C@@H](c2ccccc2Cl)C(C)C)ncn1 COC[*:1] CC(C)[C@@H](NC(=O)Nc1cc(ncn1)[*:1])c1ccccc1Cl
COCc1cc(NC(=O)N[C@@H](c2ccccc2Cl)C(C)C)ncn1 Clc1ccccc1[*:1] COCc1cc(ncn1)NC(=O)N[C@@H](C(C)C)[*:1]
COCc1cc(NC(=O)N[C@@H](c2ccccc2Cl)C(C)C)ncn1 CC(C)[*:1] COCc1cc(ncn1)NC(=O)N[C@@H](c1ccccc1Cl)[*:1]
CCCN(CC[NH+](C)C)C(=O)[C@H]1SCCc2ccccc21 CCC[*:1] C[NH+](C)CCN(C(=O)[C@H]1SCCc2ccccc21)[*:1]
O=C1CC[C@@H](C(=O)OCc2cc(-c3ccco3)on2)N1 O=C1CC[C@@H](N1)[*:1] O=C(OCc1cc(on1)-c1ccco1)[*:1]
O=C1CC[C@@H](C(=O)OCc2cc(-c3ccco3)on2)N1 c1coc(c1)[*:1] O=C1CC[C@H](N1)C(=O)OCc1cc(on1)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1nncn1C1CC1 C1CC1[*:1] O=[N+]([O-])c1cc(ccc1NCc1nncn1[*:1])S(=O)(=O)N1CCCCC1
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1nncn1C1CC1 c1nnc(C[*:1])n1C1CC1 O=[N+]([O-])c1cc(ccc1N[*:1])S(=O)(=O)N1CCCCC1
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1nncn1C1CC1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(NCc2nncn2C2CC2)c(c1)[*:1])N1CCCCC1
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1nncn1C1CC1 c1nnc(n1C1CC1)[*:1] O=[N+]([O-])c1cc(ccc1NC[*:1])S(=O)(=O)N1CCCCC1
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1nncn1C1CC1 O=S(=O)(N1CCCCC1)[*:1] O=[N+]([O-])c1cc(ccc1NCc1nncn1C1CC1)[*:1]
CCc1ccc([C@@H](O)Cn2cc(C(=O)OC)nn2)cc1 COC(=O)[*:1] CCc1ccc(cc1)[C@@H](O)Cn1cc(nn1)[*:1]
C[C@](N)(C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](N)(C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])[*:1]
C[C@](N)(C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@](N)(C(=O)N[C@H]1CCCCC[C@H]1[*:1])C(F)(F)F
COc1cc(C(=O)Nc2ncccc2C)ccc1OCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1ncccc1C
COc1cc(C(=O)Nc2ncccc2C)ccc1OCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 COc1cc(ccc1O[*:1])C(=O)Nc1ncccc1C
COc1cc(C(=O)Nc2ncccc2C)ccc1OCC(=O)N1CCOCC1 Cc1cccnc1[*:1] COc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)NCc3nn(C)c(=O)c4ccccc34)CC2=O)cc1C Cc1ccc(cc1C)[*:1] Cn1nc(CNC(=O)[C@@H]2CC(=O)N(C2)[*:1])c2ccccc2c1=O
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2)N(C[C@H]2CCCO2)C3=O)cc1 C1CO[C@H](C1)C[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N([C@H](c3cccc(Cl)c3)c12)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2)N(C[C@H]2CCCO2)C3=O)cc1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[*:1])[C@H](c3cccc(Cl)c3)c12
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2)N(C[C@H]2CCCO2)C3=O)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[C@H]3CCCO3)[C@H](c12)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2)N(C[C@H]2CCCO2)C3=O)cc1 Cc1ccc(cc1)[*:1] O=C1c2[nH]nc(c2[C@@H](c2cccc(Cl)c2)N1C[C@H]1CCCO1)[*:1]
O=C(Nc1cccc(Cl)c1)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 Clc1cccc(c1)[*:1] O=C(N[*:1])N1CCN(CC1)c1nc2cccnc2n(Cc2ccccc2)c1=O
O=C(Nc1cccc(Cl)c1)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)N1CCN(CC1)c1nc2cccnc2n(C[*:1])c1=O
O=C(Nc1cccc(Cl)c1)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(Cl)c1)N1CCN(CC1)c1nc2cccnc2n(c1=O)[*:1]
COCc1ccccc1CNC(=O)NC(C1CC1)C1CC1 COC[*:1] O=C(NCc1ccccc1[*:1])NC(C1CC1)C1CC1
COCc1ccccc1CNC(=O)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] COCc1ccccc1CNC(=O)N[*:1]
COCc1ccccc1CNC(=O)NC(C1CC1)C1CC1 C1CC1[*:1] COCc1ccccc1CNC(=O)NC(C1CC1)[*:1]
CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](c3ccccn3)C(C)C)ccc2c1=O CC(C)[*:1] CCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N[C@@H](c1ccccn1)[*:1]
CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](c3ccccn3)C(C)C)ccc2c1=O c1ccc(nc1)[*:1] CCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N[C@@H](C(C)C)[*:1]
COC(=O)[C@](C)(NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)C1CC1 COC(=O)[*:1] C[C@@H](C(=O)N[C@@](C)(C1CC1)[*:1])n1nnc(n1)-c1ccccc1
COC(=O)[C@](C)(NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)C1CC1 C1CC1[*:1] COC(=O)[C@](C)(NC(=O)[C@H](C)n1nnc(n1)-c1ccccc1)[*:1]
COC(=O)[C@](C)(NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)C1CC1 c1ccc(cc1)[*:1] COC(=O)[C@](C)(NC(=O)[C@H](C)n1nnc(n1)[*:1])C1CC1
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cnnn2)c1 O=[N+]([O-])[*:1] O=C(OCc1ccc(cc1)[*:1])c1cccc(c1)-n1cnnn1
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=C(OCc1ccc(cc1)[N+](=O)[O-])c1cccc(c1)[*:1]
C[C@]1(c2nc(N)cc(C3CC3)n2)CCCO1 C1CC1[*:1] C[C@@]1(CCCO1)c1nc(N)cc(n1)[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)NCCCn1nc(-c2cccs2)ccc1=O c1csc(c1)[*:1] Cc1nc(sc1C(=O)NCCCn1nc(ccc1=O)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1C(=O)NCCCn1nc(-c2cccs2)ccc1=O c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NCCCn1nc(ccc1=O)-c1cccs1)[*:1]
CC1=C[C@@H](C(=O)N2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3=O)C2)N=N1 Fc1cccc(c1F)[*:1] CC1=C[C@H](N=N1)C(=O)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
CC1=C[C@@H](C(=O)N2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3=O)C2)N=N1 Fc1cccc(C[*:1])c1F CC1=C[C@H](N=N1)C(=O)N1CC[C@]2(CCCN(C2=O)[*:1])C1
CC[C@@H](CSC)N(C)C(=O)c1cc2cc(C)ccc2o1 CSC[*:1] CC[C@@H](N(C)C(=O)c1cc2cc(C)ccc2o1)[*:1]
Cc1ccc2c(CN3C(=O)N[C@](C)(c4ccc(C(C)C)cc4)C3=O)cc(=O)oc2c1C CC(C)c1ccc(cc1)[*:1] Cc1ccc2c(cc(=O)oc2c1C)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1ccc2c(CN3C(=O)N[C@](C)(c4ccc(C(C)C)cc4)C3=O)cc(=O)oc2c1C CC(C)[*:1] Cc1ccc2c(cc(=O)oc2c1C)CN1C(=O)N[C@@](C)(C1=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1 CC(=O)[*:1] c1cc(ccc1N1CC[NH+](CC1)C1C2CC3CC(C2)CC1C3)[*:1]
COc1ccc(OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)[*:1] COc1ccc(cc1)OCC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 COc1ccc(cc1)[*:1] CC(C)CN(C(=O)CO[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccc(OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)C[*:1] COc1ccc(cc1)OCC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(CC[*:1])C1
O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(CCc2ccccc2)C1 Brc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CCc2ccccc2)C1
O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(C1)[*:1]
COc1cccc(/C=C(\C#N)C(=O)NCc2ccco2)c1OC(C)C c1coc(c1)C[*:1] COc1cccc(/C=C(\C#N)C(=O)N[*:1])c1OC(C)C
COc1cccc(/C=C(\C#N)C(=O)NCc2ccco2)c1OC(C)C CC(C)[*:1] COc1cccc(/C=C(\C#N)C(=O)NCc2ccco2)c1O[*:1]
COc1cccc(/C=C(\C#N)C(=O)NCc2ccco2)c1OC(C)C CC(C)O[*:1] COc1cccc(/C=C(\C#N)C(=O)NCc2ccco2)c1[*:1]
COc1cccc(/C=C(\C#N)C(=O)NCc2ccco2)c1OC(C)C c1coc(c1)[*:1] COc1cccc(/C=C(\C#N)C(=O)NC[*:1])c1OC(C)C
Cc1ccccc1CN1CCN(C(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)CC1 Cc1ccccc1[*:1] C[NH+](CC(=O)Nc1ccccc1Cl)CC(=O)N1CCN(CC1)C[*:1]
Cc1ccccc1CN1CCN(C(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)CC1 Cc1ccccc1C[*:1] C[NH+](CC(=O)Nc1ccccc1Cl)CC(=O)N1CCN(CC1)[*:1]
Cc1ccccc1CN1CCN(C(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1ccccc1CN1CCN(CC1)C(=O)C[NH+](C)CC(=O)N[*:1]
Cc1ccccc1CN1CCN(C(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)CC1 O=C(Nc1ccccc1Cl)[*:1] Cc1ccccc1CN1CCN(CC1)C(=O)C[NH+](C)C[*:1]
O=C(COc1ccccc1)NCCn1nc(-n2cccn2)ccc1=O c1ccc(cc1)O[*:1] O=C(C[*:1])NCCn1nc(ccc1=O)-n1cccn1
O=C(COc1ccccc1)NCCn1nc(-n2cccn2)ccc1=O c1ccc(cc1)OC[*:1] O=C(NCCn1nc(ccc1=O)-n1cccn1)[*:1]
O=C(COc1ccccc1)NCCn1nc(-n2cccn2)ccc1=O c1ccc(cc1)[*:1] O=C(CO[*:1])NCCn1nc(ccc1=O)-n1cccn1
O=C(COc1ccccc1)NCCn1nc(-n2cccn2)ccc1=O c1cnn(c1)[*:1] O=C(COc1ccccc1)NCCn1nc(ccc1=O)[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)[C@@H](C)CC(=O)N3CCN(c4ccccc4)CC3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)[C@@H](C)CC(=O)N1CCN(CC1)[*:1]
O=C(COc1ccc(Cl)cc1)NCC#CCOc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(COc1ccc(Cl)cc1)NCC#CCO[*:1]
O=C(COc1ccc(Cl)cc1)NCC#CCOc1cccc(Br)c1 Brc1cccc(c1)O[*:1] O=C(COc1ccc(Cl)cc1)NCC#CC[*:1]
O=C(COc1ccc(Cl)cc1)NCC#CCOc1cccc(Br)c1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])NCC#CCOc1cccc(Br)c1
O=C(COc1ccc(Cl)cc1)NCC#CCOc1cccc(Br)c1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])NCC#CCOc1cccc(Br)c1
Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccnc(OC(C)(C)C)c1)C2 CC(C)(C)[*:1] Cc1cn2C[C@H](CCc2[nH+]1)NC(=O)c1ccnc(c1)O[*:1]
Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccnc(OC(C)(C)C)c1)C2 CC(C)(C)O[*:1] Cc1cn2C[C@H](CCc2[nH+]1)NC(=O)c1ccnc(c1)[*:1]
Cc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(OCCC(C)C)c2)nc1 CC(C)[*:1] Cc1ccc(nc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(c1)OCC[*:1]
Cc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(OCCC(C)C)c2)nc1 CC(C)CC[*:1] Cc1ccc(nc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(c1)O[*:1]
Cc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(OCCC(C)C)c2)nc1 Cc1ccc(nc1)[*:1] CC(C)CCOc1cccc(c1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
Cc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(OCCC(C)C)c2)nc1 CC(C)CCO[*:1] Cc1ccc(nc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(c1)[*:1]
Cc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(OCCC(C)C)c2)nc1 CC(C)C[*:1] Cc1ccc(nc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(c1)OC[*:1]
CS(=O)(=O)CCCC(=O)[C@@H]1CN2CCC[C@@H]2CO1 CS(=O)(=O)C[*:1] O=C(CC[*:1])[C@@H]1CN2CCC[C@@H]2CO1
CS(=O)(=O)CCCC(=O)[C@@H]1CN2CCC[C@@H]2CO1 CS(=O)(=O)CC[*:1] O=C(C[*:1])[C@@H]1CN2CCC[C@@H]2CO1
CS(=O)(=O)CCCC(=O)[C@@H]1CN2CCC[C@@H]2CO1 CS(=O)(=O)[*:1] O=C(CCC[*:1])[C@@H]1CN2CCC[C@@H]2CO1
Cn1cc(/C=C/C(=O)N(CC(=O)[O-])C(C)(C)C)cn1 Cn1cc(cn1)[*:1] CC(C)(C)N(CC(=O)[O-])C(=O)C=C[*:1]
Cn1cc(/C=C/C(=O)N(CC(=O)[O-])C(C)(C)C)cn1 O=C([O-])C[*:1] Cn1cc(/C=C/C(=O)N(C(C)(C)C)[*:1])cn1
Cn1cc(/C=C/C(=O)N(CC(=O)[O-])C(C)(C)C)cn1 O=C([O-])[*:1] Cn1cc(/C=C/C(=O)N(C[*:1])C(C)(C)C)cn1
Cn1cc(/C=C/C(=O)N(CC(=O)[O-])C(C)(C)C)cn1 CC(C)(C)[*:1] Cn1cc(/C=C/C(=O)N(CC(=O)[O-])[*:1])cn1
Cc1nn([C@H](C)CC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c(C)c1C Fc1ccc(cc1)C[*:1] Cc1nn(c(C)c1C)[C@H](C)CC(=O)Nc1cnn(c1)[*:1]
Cc1nn([C@H](C)CC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c(C)c1C Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1C)[C@H](C)CC(=O)Nc1cnn(c1)C[*:1]
Cc1nn([C@H](C)CC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c(C)c1C Cc1nn(c(C)c1C)[*:1] C[C@H](CC(=O)Nc1cnn(c1)Cc1ccc(F)cc1)[*:1]
COC(=O)C1(NC(=O)CCc2ccc(C)cc2)CCSCC1 COC(=O)[*:1] Cc1ccc(cc1)CCC(=O)NC1(CCSCC1)[*:1]
COC(=O)C1(NC(=O)CCc2ccc(C)cc2)CCSCC1 Cc1ccc(cc1)[*:1] COC(=O)C1(CCSCC1)NC(=O)CC[*:1]
O=C1CS[C@H](c2cccnc2)N1Cc1ccc(F)cc1 c1cncc(c1)[*:1] O=C1CS[C@H](N1Cc1ccc(F)cc1)[*:1]
CNC(=O)C[NH2+]C[C@@H]1Cc2ccccc2S1 CNC(=O)C[*:1] c1ccc2S[C@H](C[NH2+][*:1])Cc2c1
CNC(=O)C[NH2+]C[C@@H]1Cc2ccccc2S1 CNC(=O)[*:1] c1ccc2S[C@H](C[NH2+]C[*:1])Cc2c1
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCN(C)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCN(C)C[C@H]1[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCN(C)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=C/C(=O)N1CCN(C)C[C@@H]1c1ccccc1)[*:1]
CCOc1ccc(Br)cc1CN(C(=O)C1CC=CC1)C1CC1 C1CC1[*:1] CCOc1ccc(Br)cc1CN(C(=O)C1CC=CC1)[*:1]
CCOc1ccc(Br)cc1CN(C(=O)C1CC=CC1)C1CC1 CCO[*:1] O=C(C1CC=CC1)N(Cc1cc(Br)ccc1[*:1])C1CC1
Cc1[nH+]cn(CC[C@@H]2CCC[C@@]2([NH3+])C(=O)[O-])c1C O=C([O-])[*:1] Cc1[nH+]cn(CC[C@@H]2CCC[C@]2([NH3+])[*:1])c1C
Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)C[C@H]2CC=CCC2)cc1Cl Cc1ccc(cc1Cl)[*:1] S=C(N[*:1])N(C[C@@H]1CCCO1)C[C@H]1CC=CCC1
Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)C[C@H]2CC=CCC2)cc1Cl C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1Cl)NC(=S)N(C[C@H]1CC=CCC1)[*:1]
Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)C[C@H]2CC=CCC2)cc1Cl C1CO[C@@H](C1)[*:1] Cc1ccc(cc1Cl)NC(=S)N(C[C@H]1CC=CCC1)C[*:1]
O=C(NCCCO)c1ccc(CSc2nc3ccccc3s2)cc1 O=C(NCCCO)[*:1] c1ccc2sc(nc2c1)SCc1ccc(cc1)[*:1]
O=C(NCCCO)c1ccc(CSc2nc3ccccc3s2)cc1 OCCC[*:1] O=C(N[*:1])c1ccc(cc1)CSc1nc2ccccc2s1
O=C(NCCCO)c1ccc(CSc2nc3ccccc3s2)cc1 OCC[*:1] O=C(NC[*:1])c1ccc(cc1)CSc1nc2ccccc2s1
Cn1cnnc1SCC(=O)NCCC1CCN(c2cc[nH+]cc2)CC1 Cn1cnnc1[*:1] O=C(CS[*:1])NCCC1CCN(CC1)c1cc[nH+]cc1
Cn1cnnc1SCC(=O)NCCC1CCN(c2cc[nH+]cc2)CC1 Cn1cnnc1S[*:1] O=C(C[*:1])NCCC1CCN(CC1)c1cc[nH+]cc1
Cn1cnnc1SCC(=O)NCCC1CCN(c2cc[nH+]cc2)CC1 Cn1cnnc1SC[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CC(C)(CNC(=O)NC[C@@H]1CC=CCC1)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(CNC(=O)NC[C@@H]1CC=CCC1)NC(=O)O[*:1]
C[S@@](=O)(=NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] C[S@@](=O)(=NS(=O)(=O)c1ccc(Cl)c(Cl)c1)[*:1]
CCN(C[C@H](C)C#N)S(=O)(=O)c1cn(CC)cn1 C[C@H](C#N)[*:1] CCN(C[*:1])S(=O)(=O)c1cn(cn1)CC
CCN(C[C@H](C)C#N)S(=O)(=O)c1cn(CC)cn1 C[C@H](C#N)C[*:1] CCN(S(=O)(=O)c1cn(cn1)CC)[*:1]
C[C@H](c1ccsc1)n1c(CCl)nc2cccnc21 c1cc(cs1)[*:1] C[C@H](n1c(CCl)nc2cccnc21)[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N(C)Cc1nccs1 c1csc(C[*:1])n1 CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N(C)[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N(C)Cc1nccs1 CCS(=O)(=O)[*:1] CN(Cc1nccs1)C(=O)c1cc(Cl)ccc1[*:1]
CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N(C)Cc1nccs1 c1csc(n1)[*:1] CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N(C)C[*:1]
Cc1cnc2c(S(=O)(=O)N[C@@H](c3cccs3)C(C)C)cccc2c1 CC(C)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N[C@@H](c1cccs1)[*:1]
Cc1cnc2c(S(=O)(=O)N[C@@H](c3cccs3)C(C)C)cccc2c1 c1csc(c1)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N[C@@H](C(C)C)[*:1]
O=C(CCCn1ccnn1)Oc1ccc(C(=O)N2CCCC2)cc1 c1cn(CC[*:1])nn1 O=C(C[*:1])Oc1ccc(cc1)C(=O)N1CCCC1
O=C(CCCn1ccnn1)Oc1ccc(C(=O)N2CCCC2)cc1 c1cn(CCC[*:1])nn1 O=C(c1ccc(cc1)OC(=O)[*:1])N1CCCC1
O=C(CCCn1ccnn1)Oc1ccc(C(=O)N2CCCC2)cc1 c1cn(nn1)[*:1] O=C(CCC[*:1])Oc1ccc(cc1)C(=O)N1CCCC1
O=C(CCCn1ccnn1)Oc1ccc(C(=O)N2CCCC2)cc1 c1cn(C[*:1])nn1 O=C(CC[*:1])Oc1ccc(cc1)C(=O)N1CCCC1
O=C(CCCn1ccnn1)Oc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] O=C(CCCn1ccnn1)Oc1ccc(cc1)[*:1]
CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(C(=O)OC)cc1 COC(=O)[*:1] CCOC(=O)C1=C(N)Oc2c(oc(cc2=O)CO)[C@@H]1c1ccc(cc1)[*:1]
CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(C(=O)OC)cc1 CCOC(=O)[*:1] COC(=O)c1ccc(cc1)[C@@H]1C(=C(N)Oc2c1oc(cc2=O)CO)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCC(=O)[O-] O=C([O-])[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCC[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCC(=O)[O-] O=C([O-])C[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CC[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCC(=O)[O-] c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)CCCC(=O)[O-])[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCC(=O)[O-] O=C([O-])CCC[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCCC(=O)[O-] O=C([O-])CC[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[*:1]
CCCCN(C(=O)Nc1cc(CC)ccc1CC)[C@H]1CCS(=O)(=O)C1 CCC[*:1] CCc1ccc(CC)c(c1)NC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)Nc1cc(CC)ccc1CC)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] CCc1ccc(CC)c(c1)NC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCNc1ccc([N+](=O)[O-])c(N)n1 CCN[*:1] Nc1nc(ccc1[N+](=O)[O-])[*:1]
CCNc1ccc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] CCNc1ccc(c(N)n1)[*:1]
C[C@](O)(CNS(=O)(=O)c1cccc2ccccc12)CSc1ccccc1 c1ccc(cc1)S[*:1] C[C@](O)(CNS(=O)(=O)c1cccc2ccccc12)C[*:1]
C[C@](O)(CNS(=O)(=O)c1cccc2ccccc12)CSc1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNS(=O)(=O)c1cccc2ccccc12)CS[*:1]
C[C@](O)(CNS(=O)(=O)c1cccc2ccccc12)CSc1ccccc1 c1ccc(cc1)SC[*:1] C[C@](O)(CNS(=O)(=O)c1cccc2ccccc12)[*:1]
O=C(Nc1ccccn1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 O=[N+]([O-])[*:1] O=C(Nc1ccccn1)c1ccc(cc1)Oc1ccc(cn1)[*:1]
O=C(Nc1ccccn1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 c1ccc(nc1)[*:1] O=C(N[*:1])c1ccc(cc1)Oc1ccc(cn1)[N+](=O)[O-]
Cc1ccc2c(c1)C1=C([C@@H](c3cccs3)O2)[C@@H](c2cccnc2)N2NC=NC2=N1 c1csc(c1)[*:1] Cc1ccc2O[C@H](C3=C(N=C4N=CNN4[C@@H]3c3cccnc3)c2c1)[*:1]
Cc1ccc2c(c1)C1=C([C@@H](c3cccs3)O2)[C@@H](c2cccnc2)N2NC=NC2=N1 c1cncc(c1)[*:1] Cc1ccc2O[C@@H](C3=C(N=C4N=CNN4[C@H]3[*:1])c2c1)c1cccs1
Cn1ncnc1CCNC(=O)NCCNC(=O)c1ccc(Cl)cc1 Cn1ncnc1[*:1] O=C(NCCNC(=O)c1ccc(Cl)cc1)NCC[*:1]
Cn1ncnc1CCNC(=O)NCCNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ncnc1CCNC(=O)NCCNC(=O)[*:1]
Cn1ncnc1CCNC(=O)NCCNC(=O)c1ccc(Cl)cc1 Cn1ncnc1C[*:1] O=C(NCCNC(=O)c1ccc(Cl)cc1)NC[*:1]
Cn1ncnc1CCNC(=O)NCCNC(=O)c1ccc(Cl)cc1 Cn1ncnc1CC[*:1] O=C(NCCNC(=O)c1ccc(Cl)cc1)N[*:1]
CCOc1cccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 CCO[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)Nc1cccc(c1)[*:1]
Cc1nc(C)c(C(=O)Oc2ccccc2C(=O)NCc2ccccc2)s1 c1ccc(cc1)C[*:1] Cc1nc(C)c(s1)C(=O)Oc1ccccc1C(=O)N[*:1]
Cc1nc(C)c(C(=O)Oc2ccccc2C(=O)NCc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)Oc1ccccc1C(=O)NC[*:1]
Cc1nc(C)c(C(=O)Oc2ccccc2C(=O)NCc2ccccc2)s1 Cc1nc(C)c(s1)[*:1] O=C(NCc1ccccc1)c1ccccc1OC(=O)[*:1]
COc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1 c1csc(c1)C[*:1] COc1cccc(c1)C(=O)N(C1CC1)[*:1]
COc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)C(=O)N(Cc1cccs1)[*:1]
COc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1 c1csc(c1)[*:1] COc1cccc(c1)C(=O)N(C[*:1])C1CC1
Cn1cnnc1[C@H]1CCCN1Cc1ccc(O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cn1cnnc1[C@H]1CCCN1Cc1ccc(O)c(c1)[*:1]
Cn1cnnc1[C@H]1CCCN1Cc1ccc(O)c([N+](=O)[O-])c1 Cn1cnnc1[*:1] O=[N+]([O-])c1cc(ccc1O)CN1CCC[C@@H]1[*:1]
CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3n[nH]c4ccccc34)ccc21 c1ccc2c(n[nH]c2c1)[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)C(=O)COC(=O)[*:1]
O=C(COC(=O)c1ccco1)Nc1nc2ccccc2s1 c1coc(c1)[*:1] O=C(COC(=O)[*:1])Nc1nc2ccccc2s1
O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@H]1[*:1]
O=C1OCC[C@H]1Sc1ccc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C1OCC[C@H]1Sc1ccc(Br)cc1[*:1]
Cc1c(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)cnn1C(C)C O=C1CCC(=O)N1C[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccccc1[*:1]
Cc1c(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccccc1CN1C(=O)CCC1=O
Cc1c(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)cnn1C(C)C O=C1CCC(=O)N1[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1ccccc1C[*:1]
COCCN(Cc1ccc(C)o1)C(=O)[C@@H]1COc2ccccc21 Cc1ccc(C[*:1])o1 COCCN(C(=O)[C@@H]1COc2ccccc21)[*:1]
COCCN(Cc1ccc(C)o1)C(=O)[C@@H]1COc2ccccc21 COC[*:1] Cc1ccc(CN(C[*:1])C(=O)[C@@H]2COc3ccccc32)o1
COCCN(Cc1ccc(C)o1)C(=O)[C@@H]1COc2ccccc21 COCC[*:1] Cc1ccc(CN(C(=O)[C@@H]2COc3ccccc32)[*:1])o1
COCCN(Cc1ccc(C)o1)C(=O)[C@@H]1COc2ccccc21 Cc1ccc(o1)[*:1] COCCN(C[*:1])C(=O)[C@@H]1COc2ccccc21
C[C@@H]1OCC[C@H]1C(=O)O[C@@H](c1ccccc1)c1nccs1 c1csc(n1)[*:1] C[C@@H]1OCC[C@H]1C(=O)O[C@@H](c1ccccc1)[*:1]
C[C@@H]1OCC[C@H]1C(=O)O[C@@H](c1ccccc1)c1nccs1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@H]1C(=O)O[C@@H](c1nccs1)[*:1]
COc1ccc(CC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)CC(=O)NNC(=O)c1ccc(c(Br)c1)[*:1]
COc1ccc(CC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1Br)C(=O)NNC(=O)C[*:1]
CC(C)c1nn(C)c2sc(C(=O)Nc3ccnc4ccnn34)cc12 CC(C)[*:1] Cn1nc(c2cc(sc21)C(=O)Nc1ccnc2ccnn12)[*:1]
CC(=O)NCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 CC(=O)N[*:1] O=C(NCC[*:1])c1cn(Cc2ccccc2)nc1-c1cccs1
CC(=O)NCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)[*:1] CC(=O)NCCNC(=O)c1cn(C[*:1])nc1-c1cccs1
CC(=O)NCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 CC(=O)NCC[*:1] O=C(N[*:1])c1cn(Cc2ccccc2)nc1-c1cccs1
CC(=O)NCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 CC(=O)NC[*:1] O=C(NC[*:1])c1cn(Cc2ccccc2)nc1-c1cccs1
CC(=O)NCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 c1csc(c1)[*:1] CC(=O)NCCNC(=O)c1cn(Cc2ccccc2)nc1[*:1]
CC(=O)NCCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 c1ccc(cc1)C[*:1] CC(=O)NCCNC(=O)c1cn(nc1-c1cccs1)[*:1]
Cn1cc(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C[NH2+]Cc2ccc(cc2)NC(=O)c2ccc(F)cc2)c(n1)[*:1]
Cn1cc(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C(C)(C)C)n1 Fc1ccc(cc1)[*:1] Cn1cc(C[NH2+]Cc2ccc(cc2)NC(=O)[*:1])c(n1)C(C)(C)C
CC(C)(C)c1nc(SCC(=O)N2CCOCC2)c2ccccc2n1 CC(C)(C)[*:1] O=C(CSc1nc(nc2ccccc12)[*:1])N1CCOCC1
CC(C)(C)c1nc(SCC(=O)N2CCOCC2)c2ccccc2n1 O=C(N1CCOCC1)[*:1] CC(C)(C)c1nc(SC[*:1])c2ccccc2n1
C/C(=N\NC(=O)C1CCCCC1)c1ccc(C)cc1 C1CCC(CC1)[*:1] C/C(=N\NC(=O)[*:1])c1ccc(C)cc1
O=C(NCc1nc(-c2cccs2)n[nH]1)[C@H]1C[C@H]1c1ccc(F)cc1 c1csc(c1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])[C@H]1C[C@H]1c1ccc(F)cc1
O=C(NCc1nc(-c2cccs2)n[nH]1)[C@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1nc(n[nH]1)-c1cccs1)[C@H]1C[C@@H]1[*:1]
COc1ccc(S(=O)(=O)N(C)Cc2ccsc2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)C[*:1]
COc1ccc(S(=O)(=O)N(C)Cc2ccsc2)cc1 c1cc(cs1)C[*:1] COc1ccc(cc1)S(=O)(=O)N(C)[*:1]
C=CCN1C(=O)NC(=N)[C@@H]1CC(C)(C)C C=CC[*:1] CC(C)(C)C[C@H]1C(=N)NC(=O)N1[*:1]
C=CCN1C(=O)NC(=N)[C@@H]1CC(C)(C)C CC(C)(C)[*:1] C=CCN1C(=O)NC(=N)[C@@H]1C[*:1]
C=CCN1C(=O)NC(=N)[C@@H]1CC(C)(C)C CC(C)(C)C[*:1] C=CCN1C(=O)NC(=N)[C@H]1[*:1]
COC(=O)c1ccccc1OS(=O)(=O)c1ccc(C)cc1Br COC(=O)[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)Oc1ccccc1[*:1]
O=c1oc2ccc(Cl)cc2cc1-c1cn(-c2ccccc2)c(=S)[nH]1 c1ccc(cc1)[*:1] O=c1oc2ccc(Cl)cc2cc1-c1cn(c(=S)[nH]1)[*:1]
CN(C1CCCC1)[C@H](C[NH3+])c1ccc(F)c(Br)c1 C1CCC(C1)[*:1] CN([C@H](C[NH3+])c1ccc(F)c(Br)c1)[*:1]
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(OCc2ccccc2)cc1)N(CCO)C3=O c1ccc(cc1)C[*:1] Cc1cc2oc3C(=O)N(CCO)[C@@H](c4ccc(cc4)O[*:1])c3c(=O)c2cc1Cl
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(OCc2ccccc2)cc1)N(CCO)C3=O OCC[*:1] Cc1cc2oc3C(=O)N([C@@H](c4ccc(cc4)OCc4ccccc4)c3c(=O)c2cc1Cl)[*:1]
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(OCc2ccccc2)cc1)N(CCO)C3=O c1ccc(cc1)[*:1] Cc1cc2oc3C(=O)N(CCO)[C@@H](c4ccc(cc4)OC[*:1])c3c(=O)c2cc1Cl
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(OCc2ccccc2)cc1)N(CCO)C3=O c1ccc(cc1)CO[*:1] Cc1cc2oc3C(=O)N(CCO)[C@@H](c4ccc(cc4)[*:1])c3c(=O)c2cc1Cl
CC(C)(C)c1cc(=O)[nH]c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc12 FC(F)(F)[*:1] CC(C)(C)c1cc(=O)[nH]c2cc(ccc12)NC(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1cc(=O)[nH]c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc12 CC(C)(C)[*:1] O=C(Nc1ccc2c(cc(=O)[nH]c2c1)[*:1])c1ccc(cc1)C(F)(F)F
CN(C)C(=O)c1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)[C@H](O)[*:1]
CN(C)C(=O)c1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 O[C@H](c1ccccc1)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
CN(C)C(=O)c1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1 CN(C)C(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
COc1cc(CCNC(=O)Cc2ccc(-n3cccn3)cc2)ccc1C c1cnn(c1)[*:1] COc1cc(ccc1C)CCNC(=O)Cc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2sccc2C1 CC(C)(C)[*:1] O=C([C@@H]1CCCN1C(=O)O[*:1])N1CCc2sccc2C1
O=[N+]([O-])c1cc(F)c(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(F)c(F)cc1[*:1]
COc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1Br Cc1cccc(c1)[*:1] COc1ccc(cc1Br)CN1CC[NH+](CC1)C[*:1]
COc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1Br Cc1cccc(c1)C[*:1] COc1ccc(cc1Br)CN1CC[NH+](CC1)[*:1]
COCC1=C2[C@H](c3ccc(OC)c(OC)c3OC)C(C#N)=C(N)O[C@H]2N=N1 COC[*:1] COc1ccc(c(OC)c1OC)[C@@H]1C(C#N)=C(N)O[C@H]2N=NC(=C12)[*:1]
COC(C)(C)C[C@H](C)[C@@H](C)O C[C@@H](O)[*:1] COC(C)(C)C[C@H](C)[*:1]
CC(=O)Oc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl CC(=O)O[*:1] O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1[*:1]
Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccccc3Cl)[nH]c(=O)c2c1C Clc1ccccc1[*:1] Cc1sc2nc(CS[C@@H](C)C(=O)N[*:1])[nH]c(=O)c2c1C
C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@@H]3[C@@](C)(O)[C@H](OC(=O)/C(C)=C\C)[C@H](O)[C@@H]12 CC=C(C)[*:1] C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@@H]3[C@@](C)(O)[C@H](OC(=O)[*:1])[C@H](O)[C@@H]12
C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@@H]3[C@@](C)(O)[C@H](OC(=O)/C(C)=C\C)[C@H](O)[C@@H]12 C/C=C(/C)C(=O)O[*:1] C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@@H]3[C@@](C)(O)[C@H]([C@H](O)[C@@H]12)[*:1]
COc1ccc(C(F)(F)F)cc1F FC(F)(F)[*:1] COc1ccc(cc1F)[*:1]
C=CCn1cc[nH+]c1-c1ccc(C(C)=O)cc1 CC(=O)[*:1] C=CCn1cc[nH+]c1-c1ccc(cc1)[*:1]
C=CCn1cc[nH+]c1-c1ccc(C(C)=O)cc1 C=CC[*:1] CC(=O)c1ccc(cc1)-c1[nH+]ccn1[*:1]
CC(C)N(C(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)C(C)C CC(C)N(C(=O)C[*:1])C(C)C O=c1c2ncccc2n(c(=O)n1Cc1ccc2OCOc2c1)[*:1]
CC(C)N(C(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)C(C)C CC(C)[*:1] CC(C)N(C(=O)Cn1c(=O)n(Cc2ccc3OCOc3c2)c(=O)c2ncccc21)[*:1]
CC(C)N(C(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)C(C)C c1cc2OCOc2cc1[*:1] CC(C)N(C(=O)Cn1c(=O)n(C[*:1])c(=O)c2ncccc21)C(C)C
CC(C)N(C(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)C(C)C CC(C)N(C(=O)[*:1])C(C)C O=c1c2ncccc2n(C[*:1])c(=O)n1Cc1ccc2OCOc2c1
CC(C)N(C(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)C(C)C c1cc2OCOc2cc1C[*:1] CC(C)N(C(=O)Cn1c(=O)n(c(=O)c2ncccc21)[*:1])C(C)C
CC(C)([NH3+])COCc1cccc(O)c1 CC(C)([NH3+])[*:1] Oc1cccc(c1)COC[*:1]
CC(Cc1ccccc1)(n1nnc2ccccc21)n1nnc2ccccc21 c1ccc2c(c1)nnn2[*:1] CC(Cc1ccccc1)(n1nnc2ccccc21)[*:1]
CC(Cc1ccccc1)(n1nnc2ccccc21)n1nnc2ccccc21 c1ccc(cc1)[*:1] CC(C[*:1])(n1nnc2ccccc21)n1nnc2ccccc21
CC(Cc1ccccc1)(n1nnc2ccccc21)n1nnc2ccccc21 c1ccc(cc1)C[*:1] CC(n1nnc2ccccc21)(n1nnc2ccccc21)[*:1]
O=C(CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)Nc1cccc(F)c1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc2c(=O)n(ccn12)[*:1])Nc1cccc(F)c1
O=C(CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CSc1nnc2c(=O)n(ccn12)-c1ccc(F)cc1)N[*:1]
C[C@@H](NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](NC(=O)C=C1CN(C1)C(=O)O[*:1])c1nc(no1)C(C)(C)C
C[C@@H](NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](NC(=O)C=C1CN(C1)C(=O)OC(C)(C)C)c1nc(no1)[*:1]
COc1ccc(CC(=O)Nc2nccs2)c(OC)c1 c1csc(n1)[*:1] COc1ccc(CC(=O)N[*:1])c(c1)OC
CCOc1ccc(Nc2nc(CSc3nc4ccccc4o3)cc(=O)[nH]2)cc1 CCOc1ccc(cc1)[*:1] O=c1cc(CSc2nc3ccccc3o2)nc(N[*:1])[nH]1
CCOc1ccc(Nc2nc(CSc3nc4ccccc4o3)cc(=O)[nH]2)cc1 CCO[*:1] O=c1cc(CSc2nc3ccccc3o2)nc(Nc2ccc(cc2)[*:1])[nH]1
CCOc1ccc(Nc2nc(CSc3nc4ccccc4o3)cc(=O)[nH]2)cc1 c1ccc2oc(nc2c1)[*:1] CCOc1ccc(cc1)Nc1nc(cc(=O)[nH]1)CS[*:1]
COc1ccc(C)cc1NC(=O)C[S@@](=O)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)C[S@@](=O)[C@H](C)[*:1]
CC[C@](C)(NCC(=O)N(C)OC)c1nccs1 c1csc(n1)[*:1] CC[C@](C)(NCC(=O)N(C)OC)[*:1]
COc1ccccc1[C@H](C)Nc1nc(C)c(C(=O)[O-])s1 O=C([O-])[*:1] COc1ccccc1[C@H](C)Nc1nc(C)c(s1)[*:1]
COC(=O)c1cccc(OCc2c(F)cccc2Cl)c1 COC(=O)[*:1] Fc1cccc(Cl)c1COc1cccc(c1)[*:1]
COC(=O)[C@@]1(Nc2cc(C)cc(F)c2)CCCC[C@H]1C COC(=O)[*:1] Cc1cc(F)cc(c1)N[C@]1(CCCC[C@H]1C)[*:1]
O=[S@@](Cc1ccc(OC(F)F)cc1)Cc1cn2ccccc2n1 FC(F)O[*:1] O=[S@@](Cc1ccc(cc1)[*:1])Cc1cn2ccccc2n1
O=[S@@](Cc1ccc(OC(F)F)cc1)Cc1cn2ccccc2n1 FC(F)[*:1] O=[S@@](Cc1ccc(cc1)O[*:1])Cc1cn2ccccc2n1
CCC(CC)c1cc(C(=O)N(C)Cc2ccc(C#N)cc2)on1 CCC(CC)[*:1] CN(Cc1ccc(C#N)cc1)C(=O)c1cc(no1)[*:1]
CCC(CC)c1nnc(NC(=O)c2ccc(SC)nc2)s1 CCC(CC)[*:1] CSc1ccc(cn1)C(=O)Nc1nnc(s1)[*:1]
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3ccccc32)c1 CNS(=O)(=O)[*:1] O=C(c1cc(ccc1Cl)[*:1])N1CCc2ccccc21
CCCN1Cc2cccc(C(=O)Nc3ccc(OC)c(Cl)c3)c2C1=O CCC[*:1] COc1ccc(cc1Cl)NC(=O)c1cccc2CN(C(=O)c21)[*:1]
COC[C@H](C)NC(=O)C1CCN(C(=O)c2ccoc2)CC1 COC[*:1] C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccoc1)[*:1]
COC[C@H](C)NC(=O)C1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] COC[C@H](C)NC(=O)C1CCN(CC1)C(=O)[*:1]
COC[C@H](C)NC(=O)C1CCN(C(=O)c2ccoc2)CC1 COC[C@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccoc1
S=c1[nH]c(-c2cccs2)nn1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 Brc1ccc(cc1)[*:1] S=c1[nH]c(nn1C[NH2+]C1(CCOCC1)[*:1])-c1cccs1
S=c1[nH]c(-c2cccs2)nn1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 c1csc(c1)[*:1] S=c1[nH]c(nn1C[NH2+]C1(CCOCC1)c1ccc(Br)cc1)[*:1]
CC(C)(C)n1ncc(N2CCCC2)c(Cl)c1=O C1CCN(C1)[*:1] CC(C)(C)n1ncc(c(Cl)c1=O)[*:1]
CC(C)(C)n1ncc(N2CCCC2)c(Cl)c1=O CC(C)(C)[*:1] O=c1c(Cl)c(cnn1[*:1])N1CCCC1
C[C@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)[*:1]
C[C@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)n1cccn1 Clc1cccc(c1)[*:1] C[C@H](C(=O)Nc1ncc(C[*:1])s1)n1cccn1
C[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)N1CCc2ccccc21 FC(F)[*:1] C[C@H](OC(=O)c1ccccc1O[*:1])C(=O)N1CCc2ccccc21
C[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)N1CCc2ccccc21 FC(F)O[*:1] C[C@H](OC(=O)c1ccccc1[*:1])C(=O)N1CCc2ccccc21
C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCOC2(CCCC2)C1 Clc1ccc(cc1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCOC2(CCCC2)C1
COc1cccc(-c2cc(CNC(=O)[C@@H](c3ccc(F)cc3)N(C)C)no2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)-c1cc(CNC(=O)[C@@H](N(C)C)[*:1])no1
COc1cccc(-c2cc(CNC(=O)[C@@H](c3ccc(F)cc3)N(C)C)no2)c1 CN(C)[*:1] COc1cccc(c1)-c1cc(CNC(=O)[C@@H](c2ccc(F)cc2)[*:1])no1
COc1cccc(-c2cc(CNC(=O)[C@@H](c3ccc(F)cc3)N(C)C)no2)c1 COc1cccc(c1)[*:1] CN(C)[C@@H](C(=O)NCc1cc(on1)[*:1])c1ccc(F)cc1
O=C(COC(=O)c1ccccn1)Nc1ccc(F)cc1 c1ccc(nc1)[*:1] O=C(COC(=O)[*:1])Nc1ccc(F)cc1
COC(=O)[C@]1(Nc2ccccc2Br)CCCC1(C)C COC(=O)[*:1] CC1(C)CCC[C@]1(Nc1ccccc1Br)[*:1]
CCC[C@H](C(=O)N[C@@H]1CCCCC1(C)C)C(N)=S NC(=S)[*:1] CCC[C@H](C(=O)N[C@@H]1CCCCC1(C)C)[*:1]
CCC[C@H](C(=O)N[C@@H]1CCCCC1(C)C)C(N)=S CCC[*:1] CC1(C)CCCC[C@H]1NC(=O)[C@H](C(N)=S)[*:1]
CC(C)(C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)[*:1]
CC(C)(C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccccc1 Clc1ccc(cc1)[*:1] CC(C)(C(=O)NCCN1C(=O)SC(=C[*:1])C1=O)c1ccccc1
CC(C)(C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccccc1 CC(C)(c1ccccc1)[*:1] O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CCNC(=O)[*:1]
CC(C)NC(=O)CC1CCN(C(=O)[C@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1 CC(C)NC(=O)[*:1] O=C([C@H]1C=c2cc(Cl)ccc2=[NH+]1)N1CCC(CC1)C[*:1]
CC(C)NC(=O)CC1CCN(C(=O)[C@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1 CC(C)NC(=O)C[*:1] O=C([C@H]1C=c2cc(Cl)ccc2=[NH+]1)N1CCC(CC1)[*:1]
CC(C)NC(=O)CC1CCN(C(=O)[C@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1 CC(C)[*:1] O=C(CC1CCN(CC1)C(=O)[C@H]1C=c2cc(Cl)ccc2=[NH+]1)N[*:1]
Cc1ccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c(C)c1 O=C(C[*:1])N1CCCC1 Cc1ccc(C(=O)Nc2cccc(c2)O[*:1])c(C)c1
Cc1ccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(COc1cccc(c1)NC(=O)[*:1])N1CCCC1
Cc1ccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c(C)c1 O=C(N1CCCC1)[*:1] Cc1ccc(C(=O)Nc2cccc(c2)OC[*:1])c(C)c1
O=C(NCc1ccccc1)Nc1ccc(OC(F)F)cc1OC(F)F c1ccc(cc1)[*:1] O=C(NC[*:1])Nc1ccc(cc1OC(F)F)OC(F)F
O=C(NCc1ccccc1)Nc1ccc(OC(F)F)cc1OC(F)F FC(F)[*:1] O=C(NCc1ccccc1)Nc1ccc(cc1OC(F)F)O[*:1]
O=C(NCc1ccccc1)Nc1ccc(OC(F)F)cc1OC(F)F c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1OC(F)F)OC(F)F)N[*:1]
O=C(NCc1ccccc1)Nc1ccc(OC(F)F)cc1OC(F)F FC(F)O[*:1] O=C(NCc1ccccc1)Nc1ccc(cc1OC(F)F)[*:1]
O=C(NCc1ccccc1)Nc1ccc(OC(F)F)cc1OC(F)F FC(F)O[*:1] O=C(NCc1ccccc1)Nc1ccc(cc1[*:1])OC(F)F
O=C(NCc1ccccc1)Nc1ccc(OC(F)F)cc1OC(F)F FC(F)[*:1] O=C(NCc1ccccc1)Nc1ccc(cc1O[*:1])OC(F)F
CS(=O)(=O)CCNC(=O)CCOc1ccc(Cl)cc1 CS(=O)(=O)C[*:1] O=C(CCOc1ccc(Cl)cc1)NC[*:1]
CS(=O)(=O)CCNC(=O)CCOc1ccc(Cl)cc1 CS(=O)(=O)[*:1] O=C(CCOc1ccc(Cl)cc1)NCC[*:1]
CS(=O)(=O)CCNC(=O)CCOc1ccc(Cl)cc1 CS(=O)(=O)CC[*:1] O=C(CCOc1ccc(Cl)cc1)N[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)N[C@@H](C)C(C)(C)C c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)C(C)(C)C)[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)N[C@@H](C)C(C)(C)C CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)[*:1])-c1nnco1
Cc1ccc(-c2nnco2)cc1NC(=O)N[C@@H](C)C(C)(C)C C[C@@H](C(C)(C)C)[*:1] Cc1ccc(cc1NC(=O)N[*:1])-c1nnco1
Cc1ncsc1CC[S@@](=O)Cc1ncn(-c2ccccc2)n1 Cc1ncsc1C[*:1] O=[S@@](Cc1ncn(n1)-c1ccccc1)C[*:1]
Cc1ncsc1CC[S@@](=O)Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ncsc1CC[S@@](=O)Cc1ncn(n1)[*:1]
Cc1ncsc1CC[S@@](=O)Cc1ncn(-c2ccccc2)n1 Cc1ncsc1[*:1] O=[S@](CC[*:1])Cc1ncn(n1)-c1ccccc1
CN1C(=O)COc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc21 O=[N+]([O-])[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)[C@@H]1C[C@@H]1[*:1]
COC[C@H]1CCCN1c1nccc(OCc2ccccc2)n1 c1ccc(cc1)[*:1] COC[C@H]1CCCN1c1nccc(n1)OC[*:1]
COC[C@H]1CCCN1c1nccc(OCc2ccccc2)n1 COC[*:1] c1ccc(cc1)COc1ccnc(n1)N1CCC[C@@H]1[*:1]
COC[C@H]1CCCN1c1nccc(OCc2ccccc2)n1 c1ccc(cc1)C[*:1] COC[C@H]1CCCN1c1nccc(n1)O[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)c1cccc(N2CCCNC2=O)c1 COc1cccc(F)c1[*:1] C[C@H](NC(=O)c1cccc(c1)N1CCCNC1=O)[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)c1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] COc1cccc(F)c1[C@H](C)NC(=O)c1cccc(c1)[*:1]
CNS(=O)(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 CNS(=O)(=O)[*:1] O=C(Cc1coc2cc3CCCc3cc12)Nc1ccc(cc1)[*:1]
CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N[*:1]
CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[*:1]
CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] CC[C@@H](Nc1nnnn1[*:1])C(=O)NC[C@@H]1CCCO1
C[C@](N)(C(=O)NCCc1ccc(O)cc1)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(C(=O)NCCc1ccc(O)cc1)[*:1]
COC(=O)C(C)(C)C[NH+](C)Cc1ccccc1F COC(=O)[*:1] C[NH+](Cc1ccccc1F)CC(C)(C)[*:1]
O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)N[*:1]
CCCCCCO[C@H](F)C(=O)[O-] CCC[*:1] O=C([O-])[C@@H](F)OCCC[*:1]
CCCCCCO[C@H](F)C(=O)[O-] O=C([O-])[*:1] CCCCCCO[C@H](F)[*:1]
CCCCCCO[C@H](F)C(=O)[O-] CCCC[*:1] O=C([O-])[C@@H](F)OCC[*:1]
Cc1ccccc1Oc1cc(-n2nc(C)c(C#N)c2N)ncn1 Cc1ccccc1[*:1] Cc1nn(-c2cc(ncn2)O[*:1])c(N)c1C#N
CC1(C)[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C[C@@H]2[S@@]1=O c1ccc(cc1)[*:1] CC1(C)[C@@H](C(=O)OC(c2ccccc2)[*:1])N2C(=O)C[C@@H]2[S@@]1=O
CCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)C1CC1 FC(F)(F)[*:1] CCN(C(=O)Cn1cccc(c1=O)[*:1])C1CC1
CCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)C1CC1 C1CC1[*:1] CCN(C(=O)Cn1cccc(c1=O)C(F)(F)F)[*:1]
C[NH2+][C@H](C)c1ccn(CCC(C)(C)C)c1 CC(C)(C)C[*:1] C[NH2+][C@H](C)c1ccn(c1)C[*:1]
C[NH2+][C@H](C)c1ccn(CCC(C)(C)C)c1 CC(C)(C)[*:1] C[NH2+][C@H](C)c1ccn(c1)CC[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3cn4ccccc4n3)c12 c1ccn2cc(nc2c1)[*:1] Cc1nn(c2nc(cc(C(=O)NC[*:1])c12)C1CC1)[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3cn4ccccc4n3)c12 c1ccn2cc(C[*:1])nc2c1 Cc1nn(c2nc(cc(C(=O)N[*:1])c12)C1CC1)[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3cn4ccccc4n3)c12 C1CC1[*:1] Cc1nn(c2nc(cc(C(=O)NCc3cn4ccccc4n3)c12)[*:1])[C@H]1CCS(=O)(=O)C1
C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCc2ccccc21 Oc1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)N1CCc2ccccc21
C[C@H](O/N=C/C(=O)Nc1ccc(F)cc1)c1nc(-c2cccs2)no1 c1csc(c1)[*:1] C[C@H](O/N=C/C(=O)Nc1ccc(F)cc1)c1nc(no1)[*:1]
C[C@H](O/N=C/C(=O)Nc1ccc(F)cc1)c1nc(-c2cccs2)no1 Fc1ccc(cc1)[*:1] C[C@H](O/N=C/C(=O)N[*:1])c1nc(no1)-c1cccs1
Cc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)ns2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CSc1nc(ns1)[*:1]
Cc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)ns2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nsc(n1)SCC(=O)N[*:1]
CC(C)c1ccccc1N1/C(=N/C(=O)CNC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 CC(C)[*:1] CC(C)(C)OC(=O)NCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1[*:1]
CC(C)c1ccccc1N1/C(=N/C(=O)CNC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 CC(C)c1ccccc1[*:1] CC(C)(C)OC(=O)NCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CC(C)c1ccccc1N1/C(=N/C(=O)CNC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 CC(C)(C)[*:1] CC(C)c1ccccc1N1/C(=N/C(=O)CNC(=O)O[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
CC(C)c1ccccc1N1/C(=N/C(=O)CNC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 CC(C)(C)OC(=O)N[*:1] CC(C)c1ccccc1N1/C(=N/C(=O)C[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
CC(C)c1ccccc1N1/C(=N/C(=O)CNC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 CC(C)(C)OC(=O)NC[*:1] CC(C)c1ccccc1N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
Cc1cc(C)nc(SCCn2c(N3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1 Cc1cc(C)nc(n1)S[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC[*:1]
Cc1cc(C)nc(SCCn2c(N3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1 Cc1cc(C)nc(n1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCS[*:1]
Cc1cc(C)nc(SCCn2c(N3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1 Cc1cc(C)nc(n1)SC[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
CCOc1ccc(C(=O)N2CCOCC2)cc1 CCO[*:1] O=C(c1ccc(cc1)[*:1])N1CCOCC1
Cn1cc(Br)cc1C(=O)NCCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cn1cc(Br)cc1C(=O)NCCCO[*:1]
Cn1cc(Br)cc1C(=O)NCCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cn1cc(Br)cc1C(=O)NCCCOC[*:1]
O=C(C#Cc1ccccc1)N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 c1cncc(c1)C[*:1] O=C(C#Cc1ccccc1)N1CC[C@]2(CCCN(C2=O)[*:1])C1
O=C(C#Cc1ccccc1)N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 C(#C[*:1])c1ccccc1 O=C1N(CCC[C@]12CCN(C2)C(=O)[*:1])Cc1cccnc1
O=C(C#Cc1ccccc1)N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 c1cncc(c1)[*:1] O=C(C#Cc1ccccc1)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
O=C(C#Cc1ccccc1)N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 c1ccc(cc1)[*:1] O=C(C#C[*:1])N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1
CN(C)C(=O)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F CN(C)C(=O)N[*:1] FC(F)(F)C(C(F)(F)F)(C(F)(F)F)[*:1]
CN(C)C(=O)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] CN(C)C(=O)NC(C(F)(F)F)(C(F)(F)F)[*:1]
CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3csc(CC(=O)N(C)C)n3)C2=O)cc1 CN(C)C(=O)[*:1] CC(C)c1ccc(cc1)[C@]1(C)NC(=O)N(Cc2csc(C[*:1])n2)C1=O
CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3csc(CC(=O)N(C)C)n3)C2=O)cc1 CC(C)[*:1] CN(C)C(=O)Cc1nc(cs1)CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)[*:1]
CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3csc(CC(=O)N(C)C)n3)C2=O)cc1 CC(C)c1ccc(cc1)[*:1] CN(C)C(=O)Cc1nc(cs1)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3csc(CC(=O)N(C)C)n3)C2=O)cc1 CN(C)C(=O)C[*:1] CC(C)c1ccc(cc1)[C@]1(C)NC(=O)N(Cc2csc(n2)[*:1])C1=O
O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1C[C@@H]1[*:1]
Cc1c(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1
Cc1c(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cnn1-c1ccccc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)[*:1]
CN(C)C(=O)c1cccc(CN2CC[S@@](=O)C(C)(C)C2)c1 CN(C)C(=O)[*:1] CC1(C)CN(CC[S@]1=O)Cc1cccc(c1)[*:1]
CCN(CC)C(=O)C[C@H](C[NH3+])N(C)C(C)C CC(C)N(C)[*:1] CCN(CC)C(=O)C[C@H](C[NH3+])[*:1]
CCN(CC)C(=O)C[C@H](C[NH3+])N(C)C(C)C CC(C)[*:1] CCN(CC)C(=O)C[C@H](C[NH3+])N(C)[*:1]
CSc1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 O=C1CCC(=O)N1[*:1] CSc1ccc2nc(NC(=O)c3ccc(cc3)[*:1])sc2c1
C[C@@H]1CN(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@@H](C)O1 CN(C)S(=O)(=O)[*:1] C[C@@H]1CN(CC(=O)Nc2cc(ccc2Cl)[*:1])C[C@@H](C)O1
C[C@@H](Cc1cccs1)NC(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1cccs1)NC(=O)NCC[*:1]
C[C@@H](Cc1cccs1)NC(=O)NCCc1ccccc1 c1csc(c1)C[*:1] C[C@@H](NC(=O)NCCc1ccccc1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)NCCc1ccccc1 c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)NCCc1ccccc1
COc1ccc(OC)c(NC(=O)[C@H](C)Nc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@H](C)N[*:1]
COc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] COc1ccc(c(C)c1)S(=O)(=O)NC[C@H]([NH3+])[*:1]
COc1ccc(CCNC(=O)c2nc3nccc(C)n3n2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CCNC(=O)c1nc2nccc(C)n2n1
COc1ccc(CCNC(=O)c2nc3nccc(C)n3n2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CCNC(=O)c1nc2nccc(C)n2n1
CCCN(CC(=O)OC)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] CCCN(CC(=O)OC)C(=O)N1CC[C@H]([C@H]1C)[*:1]
CCCN(CC(=O)OC)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C COC(=O)C[*:1] CCCN(C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[*:1]
CCCN(CC(=O)OC)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C COC(=O)[*:1] CCCN(C[*:1])C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C
CCCN(CC(=O)OC)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CCC[*:1] COC(=O)CN(C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[*:1]
O=C(Cn1cncn1)N[C@H]1CCc2[nH+]ccn2C1 c1ncn(C[*:1])n1 O=C(N[C@H]1CCc2[nH+]ccn2C1)[*:1]
O=C(Cn1cncn1)N[C@H]1CCc2[nH+]ccn2C1 c1ncn(n1)[*:1] O=C(C[*:1])N[C@H]1CCc2[nH+]ccn2C1
O=C(COc1ccc(I)cc1)Nc1cc([N+](=O)[O-])ccc1F Ic1ccc(cc1)[*:1] O=C(CO[*:1])Nc1cc(ccc1F)[N+](=O)[O-]
O=C(COc1ccc(I)cc1)Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] O=C(COc1ccc(I)cc1)Nc1cc(ccc1F)[*:1]
CC(=O)Nc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)cc1 CC(=O)N[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CN(C)c1nc2ccc(NC(=O)C(=O)Nc3cnn(C)c3)cc2o1 Cn1cc(cn1)[*:1] CN(C)c1nc2ccc(cc2o1)NC(=O)C(=O)N[*:1]
CN(C)c1nc2ccc(NC(=O)C(=O)Nc3cnn(C)c3)cc2o1 CN(C)[*:1] Cn1cc(cn1)NC(=O)C(=O)Nc1ccc2nc(oc2c1)[*:1]
O=C(Cn1c(CCO)nc2ccccc21)N1CCCc2ccccc21 OCC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCCc2ccccc21
COc1ccc(CNC(=O)COC(=O)c2ccccc2Br)cc1 Brc1ccccc1[*:1] COc1ccc(cc1)CNC(=O)COC(=O)[*:1]
COC(=O)[C@]1(C(C)C)O[C@]1(C)c1ccc(CC(C)C)cc1 CC(C)C[*:1] COC(=O)[C@@]1(O[C@]1(C)c1ccc(cc1)[*:1])C(C)C
COC(=O)[C@]1(C(C)C)O[C@]1(C)c1ccc(CC(C)C)cc1 CC(C)[*:1] COC(=O)[C@@]1(O[C@]1(C)c1ccc(cc1)CC(C)C)[*:1]
COC(=O)[C@]1(C(C)C)O[C@]1(C)c1ccc(CC(C)C)cc1 COC(=O)[*:1] CC(C)Cc1ccc(cc1)[C@@]1(C)O[C@]1(C(C)C)[*:1]
COC(=O)[C@]1(C(C)C)O[C@]1(C)c1ccc(CC(C)C)cc1 CC(C)[*:1] COC(=O)[C@@]1(O[C@]1(C)c1ccc(cc1)C[*:1])C(C)C
Cc1nn(Cc2ccc(C(=O)NCCCN3CCOCC3)o2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] O=C(NCCCN1CCOCC1)c1ccc(C[*:1])o1
Cc1nn(Cc2ccc(C(=O)NCCCN3CCOCC3)o2)c(C)c1Cl C1CN(CCO1)[*:1] Cc1nn(Cc2ccc(o2)C(=O)NCCC[*:1])c(C)c1Cl
Cc1nn(Cc2ccc(C(=O)NCCCN3CCOCC3)o2)c(C)c1Cl C1CN(CCO1)CC[*:1] Cc1nn(Cc2ccc(o2)C(=O)NC[*:1])c(C)c1Cl
Cc1nn(Cc2ccc(C(=O)NCCCN3CCOCC3)o2)c(C)c1Cl C1CN(CCO1)C[*:1] Cc1nn(Cc2ccc(o2)C(=O)NCC[*:1])c(C)c1Cl
Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1C c1ccc(cc1)CC[*:1] Cc1cc2cc(c(=O)[nH]c2cc1C)[C@H](c1nnnn1[*:1])N1CCc2ccccc2C1
Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1C c1ccc(cc1)[*:1] Cc1cc2cc(c(=O)[nH]c2cc1C)[C@H](c1nnnn1CC[*:1])N1CCc2ccccc2C1
Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1C c1ccc2CN(CCc2c1)[*:1] Cc1cc2cc(c(=O)[nH]c2cc1C)[C@H](c1nnnn1CCc1ccccc1)[*:1]
Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1C c1ccc(cc1)C[*:1] Cc1cc2cc(c(=O)[nH]c2cc1C)[C@H](c1nnnn1C[*:1])N1CCc2ccccc2C1
O=C(Cc1ccc(CNC(=O)c2cnc3cccnn3c2=O)cc1)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] O=C(NCc1ccc(cc1)C[*:1])c1cnc2cccnn2c1=O
O=C(Cc1ccc(CNC(=O)c2cnc3cccnn3c2=O)cc1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cc1ccc(cc1)CNC(=O)c1cnc2cccnn2c1=O)N[*:1]
O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@H]2CC[C@@H]1C2 c1ccc(cc1)C[*:1] O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(CC2)C[*:1])[C@H]2CC[C@@H]1C2
O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@H]2CC[C@@H]1C2 c1ccc(cc1)[*:1] O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(CC2)CC[*:1])[C@H]2CC[C@@H]1C2
O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@H]2CC[C@@H]1C2 c1ccc(cc1)CC[*:1] O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(CC2)[*:1])[C@H]2CC[C@@H]1C2
O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@H]2CC[C@@H]1C2 O=C([O-])[*:1] O=C([C@H]1[C@H]2CC[C@H](C2)[C@H]1[*:1])N1CCN(CCc2ccccc2)CC1
CCCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 Clc1ccc(cc1)[*:1] CCCNC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
CCCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 CCC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(Cl)cc1
CCCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 CCCNC(=O)[*:1] O=C(c1ccc(cc1)NS(=O)(=O)c1ccc(Cl)cc1)N1CCC(CC1)[*:1]
COc1cccc(/C(C)=C/C(=O)NCc2cn(-c3ccccc3)nn2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)/C(C)=C/C(=O)NCc1cn(nn1)[*:1]
COc1cccc(/C(C)=C/C(=O)NCc2cn(-c3ccccc3)nn2)c1 COc1cccc(c1)[*:1] CC(=CC(=O)NCc1cn(nn1)-c1ccccc1)[*:1]
O=S(=O)(NCC[C@@H]1CN(Cc2ccco2)CCO1)C1CC1 c1coc(c1)[*:1] O=S(=O)(NCC[C@@H]1CN(CCO1)C[*:1])C1CC1
O=S(=O)(NCC[C@@H]1CN(Cc2ccco2)CCO1)C1CC1 O=S(=O)(N[*:1])C1CC1 c1coc(c1)CN1CCO[C@H](CC[*:1])C1
O=S(=O)(NCC[C@@H]1CN(Cc2ccco2)CCO1)C1CC1 C1CC1[*:1] O=S(=O)(NCC[C@@H]1CN(CCO1)Cc1ccco1)[*:1]
O=S(=O)(NCC[C@@H]1CN(Cc2ccco2)CCO1)C1CC1 c1coc(c1)C[*:1] O=S(=O)(NCC[C@@H]1CN(CCO1)[*:1])C1CC1
COc1ccc(C2(CNC(=O)C(=O)Nc3cccc(NC(C)=O)c3)CCCC2)cc1 CC(=O)Nc1cccc(c1)[*:1] COc1ccc(cc1)C1(CCCC1)CNC(=O)C(=O)N[*:1]
COc1ccc(C2(CNC(=O)C(=O)Nc3cccc(NC(C)=O)c3)CCCC2)cc1 CC(=O)N[*:1] COc1ccc(cc1)C1(CCCC1)CNC(=O)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(C2(CNC(=O)C(=O)Nc3cccc(NC(C)=O)c3)CCCC2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)C(=O)NCC1(CCCC1)[*:1]
COc1ccc(CNC(=O)C2CCN(c3nc4cccnc4s3)CC2)c(OC)c1 c1cnc2sc(nc2c1)[*:1] COc1ccc(CNC(=O)C2CCN(CC2)[*:1])c(c1)OC
COc1cccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCOCC3)c2)c1 COc1cccc(c1)[*:1] Cc1csc(n1)-c1cc(cn1CC(=O)N1CCOCC1)S(=O)(=O)N[*:1]
COc1cccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCOCC3)c2)c1 Cc1csc(n1)[*:1] COc1cccc(c1)NS(=O)(=O)c1cc(n(c1)CC(=O)N1CCOCC1)[*:1]
COc1cccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCOCC3)c2)c1 O=C(C[*:1])N1CCOCC1 COc1cccc(c1)NS(=O)(=O)c1cc(-c2nc(C)cs2)n(c1)[*:1]
COc1cccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCOCC3)c2)c1 O=C(N1CCOCC1)[*:1] COc1cccc(c1)NS(=O)(=O)c1cc(-c2nc(C)cs2)n(c1)C[*:1]
CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(Cl)s2)cs1 Clc1ccc(s1)[*:1] CC(=O)N(c1ccccc1)c1nc(cs1)COC(=O)[*:1]
CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(Cl)s2)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)COC(=O)c1ccc(Cl)s1)[*:1]
O[C@@H](C[C@H]1COCCN1C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](C[C@H]1COCCN1C[C@H]1C[C@H]1[*:1])c1ccccc1
O[C@@H](C[C@H]1COCCN1C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](C[C@H]1COCCN1C[C@H]1C[C@@H]1c1ccccc1)[*:1]
O[C@@H](C[C@H]1COCCN1C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 O[C@@H](c1ccccc1)[*:1] c1ccc(cc1)[C@H]1C[C@@H]1CN1CCOC[C@@H]1C[*:1]
O=C(NCc1nc[nH]n1)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCc1nc[nH]n1)Nc1ccccc1[*:1]
CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc(Cl)ccc1OCC(=O)[O-] O=C([O-])CO[*:1] CC(=O)C1=C(NC(=S)N[C@@H]1c1cc(Cl)ccc1[*:1])c1ccccc1
CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc(Cl)ccc1OCC(=O)[O-] O=C([O-])[*:1] CC(=O)C1=C(NC(=S)N[C@@H]1c1cc(Cl)ccc1OC[*:1])c1ccccc1
CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc(Cl)ccc1OCC(=O)[O-] O=C([O-])C[*:1] CC(=O)C1=C(NC(=S)N[C@@H]1c1cc(Cl)ccc1O[*:1])c1ccccc1
CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc(Cl)ccc1OCC(=O)[O-] c1ccc(cc1)[*:1] CC(=O)C1=C(NC(=S)N[C@@H]1c1cc(Cl)ccc1OCC(=O)[O-])[*:1]
CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc(Cl)ccc1OCC(=O)[O-] CC(=O)[*:1] O=C([O-])COc1ccc(Cl)cc1[C@H]1NC(=S)NC(=C1[*:1])c1ccccc1
CC(=O)Nc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C1(CC1)[*:1]
CC(=O)Nc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])C1(CC1)c1ccccc1
Cc1ccccc1-c1cnc(NC(=O)N(C)[C@@H](C)CC#N)s1 Cc1ccccc1[*:1] C[C@@H](CC#N)N(C)C(=O)Nc1ncc(s1)[*:1]
Cc1ccccc1-c1cnc(NC(=O)N(C)[C@@H](C)CC#N)s1 N#CC[*:1] Cc1ccccc1-c1cnc(NC(=O)N(C)[C@@H](C)[*:1])s1
Cc1ccc2nc(COC(=O)c3ccccc3OCc3csc(C)n3)cc(=O)n2c1 Cc1nc(cs1)[*:1] Cc1ccc2nc(cc(=O)n2c1)COC(=O)c1ccccc1OC[*:1]
Cc1ccc2nc(COC(=O)c3ccccc3OCc3csc(C)n3)cc(=O)n2c1 Cc1nc(cs1)CO[*:1] Cc1ccc2nc(cc(=O)n2c1)COC(=O)c1ccccc1[*:1]
Cc1ccc2nc(COC(=O)c3ccccc3OCc3csc(C)n3)cc(=O)n2c1 Cc1nc(cs1)C[*:1] Cc1ccc2nc(cc(=O)n2c1)COC(=O)c1ccccc1O[*:1]
CN(C)C(=O)CN(C)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)[C@@H](Cc1ccccc1)n1cnnn1
CN(C)C(=O)CN(C)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 c1nnnn1[*:1] CN(C)C(=O)CN(C)C(=O)[C@@H](Cc1ccccc1)[*:1]
CN(C)C(=O)CN(C)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 CN(C)C(=O)C[*:1] CN(C(=O)[C@@H](Cc1ccccc1)n1cnnn1)[*:1]
CN(C)C(=O)CN(C)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)C[*:1] CN(C)C(=O)CN(C)C(=O)[C@@H](n1cnnn1)[*:1]
CN(C)C(=O)CN(C)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)[*:1] CN(C)C(=O)CN(C)C(=O)[C@@H](C[*:1])n1cnnn1
COc1ccc(CCNCc2ccc(Cl)s2)cc1OC Clc1ccc(s1)[*:1] COc1ccc(cc1OC)CCNC[*:1]
Cc1ccc([C@](C)(O)CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)o1 Cc1ccc(o1)[*:1] CC(C)(C)c1ccccc1NC(=O)C(=O)NC[C@](C)(O)[*:1]
Cc1ccc([C@](C)(O)CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)o1 CC(C)(C)[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1[*:1]
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(cc1Cl)[*:1]
CN1C(=O)C[C@H](C(=O)NCc2ccnc(OC(C)(C)C)c2)[C@@H]1c1cccnc1 CC(C)(C)[*:1] CN1C(=O)C[C@H](C(=O)NCc2ccnc(c2)O[*:1])[C@@H]1c1cccnc1
CN1C(=O)C[C@H](C(=O)NCc2ccnc(OC(C)(C)C)c2)[C@@H]1c1cccnc1 CC(C)(C)O[*:1] CN1C(=O)C[C@H](C(=O)NCc2ccnc(c2)[*:1])[C@@H]1c1cccnc1
CN1C(=O)C[C@H](C(=O)NCc2ccnc(OC(C)(C)C)c2)[C@@H]1c1cccnc1 c1cncc(c1)[*:1] CN1C(=O)C[C@H](C(=O)NCc2ccnc(c2)OC(C)(C)C)[C@H]1[*:1]
O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(cc1)[*:1]
O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(-n2cccc2)cc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@@H](CO)C[*:1])c1ccc(cc1)-n1cccc1
Cc1nc(-n2cnnc2[S@](C)=O)c2c(-c3ccccc3)csc2n1 c1ccc(cc1)[*:1] Cc1nc(c2c(csc2n1)[*:1])-n1cnnc1[S@](C)=O
O=C(CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O)N[*:1]
O=C(CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O)Nc1cccc(Br)c1 Clc1ccc(cc1)[*:1] O=C(CN1CCCN(C[*:1])S1(=O)=O)Nc1cccc(Br)c1
O=C(CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O)Nc1cccc(Br)c1 Clc1ccc(cc1)C[*:1] O=C(CN1CCCN(S1(=O)=O)[*:1])Nc1cccc(Br)c1
C[S@@](=O)Cc1cccc(C(=O)N2CCCC2(C)C)c1 C[S@@](=O)C[*:1] CC1(C)CCCN1C(=O)c1cccc(c1)[*:1]
O=C(Nc1cc(C(=O)N2CCN(c3cnccn3)CC2)ccc1Cl)c1cccs1 O=C(N[*:1])c1cccs1 O=C(c1ccc(Cl)c(c1)[*:1])N1CCN(CC1)c1cnccn1
O=C(Nc1cc(C(=O)N2CCN(c3cnccn3)CC2)ccc1Cl)c1cccs1 c1csc(c1)[*:1] O=C(c1ccc(Cl)c(c1)NC(=O)[*:1])N1CCN(CC1)c1cnccn1
O=C(Nc1cc(C(=O)N2CCN(c3cnccn3)CC2)ccc1Cl)c1cccs1 c1cnc(cn1)[*:1] O=C(Nc1cc(ccc1Cl)C(=O)N1CCN(CC1)[*:1])c1cccs1
COc1ccccc1-c1n[nH]c(/N=C(\[O-])Cn2ncc3ccccc3c2=O)n1 COc1ccccc1[*:1] O=c1c2ccccc2cnn1C/C([O-])=N/c1nc(n[nH]1)[*:1]
O[C@@H](CCOc1ccccc1)Cc1nccs1 c1csc(n1)[*:1] O[C@@H](CCOc1ccccc1)C[*:1]
CC[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@@H](NC(=O)[C@H]1CCCN(C1)C(N)=O)[*:1]
CC[C@](C)(CO)NC(=O)Nc1ccc(SC)c(F)c1 CC[C@](C)(CO)[*:1] CSc1ccc(cc1F)NC(=O)N[*:1]
CC(C)[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O c1ccc(cc1)C[*:1] CC(C)[C@H](Sc1nnc(n1-c1ccc(Cl)cc1)[*:1])C(=O)NC(N)=O
CC(C)[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O Clc1ccc(cc1)[*:1] CC(C)[C@H](Sc1nnc(Cc2ccccc2)n1[*:1])C(=O)NC(N)=O
CC(C)[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] CC(C)[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)[*:1]
CC(C)[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O CC(C)[*:1] NC(=O)NC(=O)[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)[*:1]
CC(C)[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O c1ccc(cc1)[*:1] CC(C)[C@H](Sc1nnc(C[*:1])n1-c1ccc(Cl)cc1)C(=O)NC(N)=O
COc1ccc(-c2nc(CC(=O)Nc3ccc(Cl)c(Cl)c3)cs2)cc1OC Clc1ccc(cc1Cl)[*:1] COc1ccc(cc1OC)-c1nc(cs1)CC(=O)N[*:1]
Cn1cc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)c2ccccc21 c1ccc(cc1)[*:1] Cn1cc(CC(=O)N2CCN(CC2)C(=O)[C@@H]2C[C@H]2[*:1])c2ccccc21
Cn1cc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)c2ccccc21 Cn1cc(c2ccccc21)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1
Cn1nc(-c2ccncc2)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 c1cc(ccn1)[*:1] Cn1nc(cc1NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1Br)[*:1]
Cn1nc(-c2ccncc2)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 Brc1ccccc1[*:1] Cn1nc(cc1NC(=O)[C@H]1CC(=O)N(C1)[*:1])-c1ccncc1
CCOc1ccc(C2=CCN(C(=O)c3ccn(C4CCCC4)n3)CC2)cc1 CCO[*:1] O=C(c1ccn(n1)C1CCCC1)N1CC=C(CC1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ccn(C4CCCC4)n3)CC2)cc1 C1CCC(C1)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)c1ccn(n1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ccn(C4CCCC4)n3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(c1ccn(n1)C1CCCC1)N1CC=C(CC1)[*:1]
CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)NC2CCCCC2)C1 C1CCC(CC1)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)[C@@H](C)C(=O)N[*:1]
Cc1cc(C(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)nn1C NC(=O)[*:1] Cc1cc(nn1C)C(=O)NCC(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)nn1C Cc1cc(nn1C)[*:1] NC(=O)c1ccc(cc1)NC(=O)CNC(=O)[*:1]
CCC[C@@H]1CN(C(=O)Nc2cc(OC)ccc2OC)C[C@H]1[NH+](C)C CCC[*:1] COc1ccc(OC)c(c1)NC(=O)N1C[C@H]([C@@H](C1)[*:1])[NH+](C)C
CCOC(=O)C1CCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 CCOC(=O)[*:1] O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCC(CC1)[*:1]
C[C@@H]1CSc2ccccc2N1C(=O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] C[C@@H]1CSc2ccccc2N1C(=O)c1cccc(n1)[*:1]
C[C@@H]1CSc2ccccc2N1C(=O)c1cccc(OCC(F)F)n1 FC(F)[*:1] C[C@@H]1CSc2ccccc2N1C(=O)c1cccc(n1)OC[*:1]
C[C@@H]1CSc2ccccc2N1C(=O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] C[C@@H]1CSc2ccccc2N1C(=O)c1cccc(n1)O[*:1]
COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 COc1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)NCc1ccc2OCOc2c1
O=C([O-])CCC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C([O-])CCC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)N[*:1]
O=C([O-])CCC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NCc1ccccc1 O=C([O-])C[*:1] O=C(NCc1ccccc1)[C@@H]1Cc2nc[nH]c2CN1C(=O)C[*:1]
O=C([O-])CCC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CCC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NC[*:1]
O=C([O-])CCC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NCc1ccccc1 O=C([O-])CC[*:1] O=C(NCc1ccccc1)[C@@H]1Cc2nc[nH]c2CN1C(=O)[*:1]
O=C([O-])CCC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NCc1ccccc1 O=C([O-])[*:1] O=C(NCc1ccccc1)[C@@H]1Cc2nc[nH]c2CN1C(=O)CC[*:1]
N/C(CC[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)=N/O N/C(=N/O)[*:1] C1C[C@@H]2CO[C@H](C[NH2+]CC[*:1])CN2C1
N/C(CC[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)=N/O N/C(C[*:1])=N/O C1C[C@@H]2CO[C@H](C[NH2+]C[*:1])CN2C1
CCCc1[nH]nc(C(=O)NC[C@@]2(C)CCCO2)c1N C[C@]1(CCCO1)[*:1] CCCc1[nH]nc(C(=O)NC[*:1])c1N
CCCc1[nH]nc(C(=O)NC[C@@]2(C)CCCO2)c1N CCC[*:1] C[C@@]1(CCCO1)CNC(=O)c1n[nH]c(c1N)[*:1]
CS(=O)(=O)CC1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 C1CC1[*:1] CS(=O)(=O)CC1(CC1)C[NH2+][C@H]1CCC[C@@H](C1)[*:1]
CS(=O)(=O)CC1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 CS(=O)(=O)[*:1] C1C[C@@H](C[C@@H](C1)C1CC1)[NH2+]CC1(CC1)C[*:1]
CS(=O)(=O)CC1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 CS(=O)(=O)C[*:1] C1C[C@@H](C[C@@H](C1)C1CC1)[NH2+]CC1(CC1)[*:1]
COCC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(OC)cc2)C1 O=C([O-])[*:1] COCC[C@]1(CCCN(C1)C(=O)NCc1ccc(cc1)OC)[*:1]
COCC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(OC)cc2)C1 COC[*:1] COc1ccc(cc1)CNC(=O)N1CCC[C@@](C1)(C[*:1])C(=O)[O-]
COCC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(OC)cc2)C1 COCC[*:1] COc1ccc(cc1)CNC(=O)N1CCC[C@@](C1)(C(=O)[O-])[*:1]
COCC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] COCC[C@]1(CCCN(C1)C(=O)NC[*:1])C(=O)[O-]
Fc1cccc(CN2CC(n3cccn3)C2)c1F c1cnn(c1)[*:1] Fc1cccc(CN2CC(C2)[*:1])c1F
Cc1c(CNC(=O)Nc2cccnc2-c2ccccc2)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)CNC(=O)Nc1cccnc1[*:1]
Cc1c(CNC(=O)Nc2cccnc2-c2ccccc2)cnn1C Cc1c(cnn1C)C[*:1] O=C(Nc1cccnc1-c1ccccc1)N[*:1]
Cc1c(CNC(=O)Nc2cccnc2-c2ccccc2)cnn1C Cc1c(cnn1C)[*:1] O=C(NC[*:1])Nc1cccnc1-c1ccccc1
CCN[C@]1(C(N)=O)CCC[C@@H](N2CCO[C@@H](CC)C2)C1 CCN[*:1] CC[C@H]1CN(CCO1)[C@@H]1CCC[C@](C1)(C(N)=O)[*:1]
CCN[C@]1(C(N)=O)CCC[C@@H](N2CCO[C@@H](CC)C2)C1 NC(=O)[*:1] CCN[C@@]1(CCC[C@H](C1)N1CCO[C@@H](CC)C1)[*:1]
CC(C)NC(=O)CN1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 CC(C)NC(=O)C[*:1] O=C(CN1CCN(CC1)[*:1])NCc1cccc(Cl)c1
CC(C)NC(=O)CN1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 CC(C)NC(=O)[*:1] O=C(CN1CCN(CC1)C[*:1])NCc1cccc(Cl)c1
CC(C)NC(=O)CN1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC(C)NC(=O)CN1CCN(CC1)CC(=O)NC[*:1]
CC(C)NC(=O)CN1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)CC(=O)N[*:1])NCc1cccc(Cl)c1
CC(C)NC(=O)CN1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] CC(C)NC(=O)CN1CCN(CC1)CC(=O)N[*:1]
CC(C)C[C@@H](C[NH2+]C1CC1)C[C@@H]1COc2ccccc21 CC(C)C[*:1] c1ccc2c(c1)OC[C@H]2C[C@H](C[NH2+]C1CC1)[*:1]
CC(C)C[C@@H](C[NH2+]C1CC1)C[C@@H]1COc2ccccc21 C1CC1[*:1] CC(C)C[C@@H](C[NH2+][*:1])C[C@@H]1COc2ccccc21
CC(C)C[C@@H](C[NH2+]C1CC1)C[C@@H]1COc2ccccc21 CC(C)[*:1] c1ccc2c(c1)OC[C@H]2C[C@H](C[NH2+]C1CC1)C[*:1]
COc1ccc(C2=NN=C[C@H]2CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c(OC)c1 Clc1cccc(c1)C[*:1] COc1ccc(C2=NN=C[C@H]2CN2CC[NH+](CC2)[*:1])c(c1)OC
COc1ccc(C2=NN=C[C@H]2CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c(OC)c1 Clc1cccc(c1)[*:1] COc1ccc(C2=NN=C[C@H]2CN2CC[NH+](CC2)C[*:1])c(c1)OC
COc1ccc(C2=NN=C[C@H]2CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Clc1cccc(c1)C[NH+]1CCN(CC1)C[C@@H]1C=NN=C1[*:1]
C=C(C)C[C@@H](O)c1ncccn1 C=C(C)C[*:1] O[C@@H](c1ncccn1)[*:1]
C=C(C)C[C@@H](O)c1ncccn1 C=C(C)[*:1] O[C@H](C[*:1])c1ncccn1
C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2Cl)C[C@@H](C)O1 c1ccc(cc1)C[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N(C)[*:1]
C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2Cl)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N(C)C[*:1]
O=C1CC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 O=C1CC(C1)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
CCc1cc(N2CCC([NH2+][C@@H]3CCSC3)CC2)nc(N2CCCC2)n1 C1CCN(C1)[*:1] CCc1cc(nc(n1)[*:1])N1CCC(CC1)[NH2+][C@@H]1CCSC1
O=[N+]([O-])c1cn(C[C@@H](O)COCc2ccccc2Cl)cn1 Clc1ccccc1[*:1] O=[N+]([O-])c1cn(cn1)C[C@@H](O)COC[*:1]
O=[N+]([O-])c1cn(C[C@@H](O)COCc2ccccc2Cl)cn1 O=[N+]([O-])[*:1] O[C@@H](COCc1ccccc1Cl)Cn1cnc(c1)[*:1]
O=C(NCc1ccc(Cl)nc1)NCc1cc2ccccc2o1 Clc1ccc(cn1)[*:1] O=C(NCc1cc2ccccc2o1)NC[*:1]
CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N[*:1]
C=CCNC(=O)C[NH+](CC)C1CC1 C1CC1[*:1] C=CCNC(=O)C[NH+](CC)[*:1]
C=CCNC(=O)C[NH+](CC)C1CC1 C=CC[*:1] CC[NH+](CC(=O)N[*:1])C1CC1
N#CC1=C(N)N2C(=O)CCSC2=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#CC1=C(N)N2C(=O)CCSC2=C(C#N)[C@H]1c1cccc(c1)[*:1]
Cc1cc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)c2cnn(Cc3cccs3)c2n1 CC(C)[*:1] Cc1cc(C(=O)NNC(=O)c2ccc(cc2)O[*:1])c2cnn(Cc3cccs3)c2n1
Cc1cc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)c2cnn(Cc3cccs3)c2n1 c1csc(c1)[*:1] Cc1cc(C(=O)NNC(=O)c2ccc(cc2)OC(C)C)c2cnn(C[*:1])c2n1
Cc1cc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)c2cnn(Cc3cccs3)c2n1 CC(C)Oc1ccc(cc1)[*:1] Cc1cc(C(=O)NNC(=O)[*:1])c2cnn(Cc3cccs3)c2n1
Cc1cc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)c2cnn(Cc3cccs3)c2n1 CC(C)O[*:1] Cc1cc(C(=O)NNC(=O)c2ccc(cc2)[*:1])c2cnn(Cc3cccs3)c2n1
Cc1cc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)c2cnn(Cc3cccs3)c2n1 c1csc(c1)C[*:1] Cc1cc(C(=O)NNC(=O)c2ccc(cc2)OC(C)C)c2cnn(c2n1)[*:1]
COc1cccc2c1OC[C@@H](NC(=O)N(C)Cc1ccc(O)cc1)C2 Oc1ccc(cc1)[*:1] COc1cccc2C[C@@H](COc21)NC(=O)N(C)C[*:1]
COc1cccc2c1OC[C@@H](NC(=O)N(C)Cc1ccc(O)cc1)C2 Oc1ccc(cc1)C[*:1] COc1cccc2C[C@@H](COc21)NC(=O)N(C)[*:1]
CC(C)N(C(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl)C(C)C CC(C)[*:1] CC(C)N(C(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
O=C(COC(=O)c1csc2c1CCCC2)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COC(=O)c1csc2CCCCc12)NC[*:1]
O=C(COC(=O)c1csc2c1CCCC2)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(COC(=O)c1csc2CCCCc12)N[*:1]
Cc1ccc(Cn2cc(SCC(=O)N3CCCC3)c3ccccc32)cc1 O=C(C[*:1])N1CCCC1 Cc1ccc(cc1)Cn1cc(S[*:1])c2ccccc21
Cc1ccc(Cn2cc(SCC(=O)N3CCCC3)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1cn(C[*:1])c2ccccc12)N1CCCC1
Cc1ccc(Cn2cc(SCC(=O)N3CCCC3)c3ccccc32)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)Cn1cc(SC[*:1])c2ccccc21
Cc1ccc(Cn2cc(SCC(=O)N3CCCC3)c3ccccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(CSc1cn(c2ccccc12)[*:1])N1CCCC1
C[NH2+][C@H](C(C)C)[C@H]1CCOC2(CCC2)C1 CC(C)[*:1] C[NH2+][C@H]([C@H]1CCOC2(CCC2)C1)[*:1]
Cc1ccc([O-])c(CN[C@H]2CCC[C@@H](C(=O)[O-])C2)[nH+]1 O=C([O-])[*:1] Cc1ccc([O-])c(CN[C@H]2CCC[C@@H](C2)[*:1])[nH+]1
CCCn1c(=O)[nH]c2sc3c(c2c1=O)CCN(C(=O)c1cc(C)c(OC)c(C)c1)C3 COc1c(C)cc(cc1C)[*:1] CCCn1c(=O)[nH]c2sc3CN(CCc3c2c1=O)C(=O)[*:1]
CCCn1c(=O)[nH]c2sc3c(c2c1=O)CCN(C(=O)c1cc(C)c(OC)c(C)c1)C3 CCC[*:1] COc1c(C)cc(cc1C)C(=O)N1CCc2c(C1)sc1[nH]c(=O)n(c(=O)c21)[*:1]
CN1CCN(C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C1=O CN1CCN(C1=O)[*:1] N#Cc1ccc(cc1)OCC[NH+]1CCC(CC1)[*:1]
CN1CCN(C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C1=O N#Cc1ccc(cc1)[*:1] CN1CCN(C1=O)C1CC[NH+](CCO[*:1])CC1
CCC(=O)N1CCc2[nH]c3cc([C@@H]4CCCN(C(=O)[C@H](C)CC)C4)nn3c(=O)c2C1 CC[C@@H](C)[*:1] CCC(=O)N1CCc2[nH]c3cc(nn3c(=O)c2C1)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)CCSC)cc1 CSC[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)N[C@H](C)C[*:1]
COc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)CCSC)cc1 CSCC[C@@H](C)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)N[*:1]
COc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)CCSC)cc1 CSCC[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)N[C@H](C)[*:1]
CCC[NH+]1CCCN(C(=O)NC2CCC(NS(C)(=O)=O)CC2)CC1 CS(=O)(=O)N[*:1] CCC[NH+]1CCCN(CC1)C(=O)NC1CCC(CC1)[*:1]
CCC[NH+]1CCCN(C(=O)NC2CCC(NS(C)(=O)=O)CC2)CC1 CCC[*:1] CS(=O)(=O)NC1CCC(CC1)NC(=O)N1CCC[NH+](CC1)[*:1]
CCc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CN2C(=O)CSC2=O)cc1 O=C1CSC(=O)N1C[*:1] CCc1ccc(cc1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
CCc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CN2C(=O)CSC2=O)cc1 O=C1CSC(=O)N1[*:1] CCc1ccc(cc1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)C[*:1]
CCc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CN2C(=O)CSC2=O)cc1 CCc1ccc(cc1)[*:1] O=C1CSC(=O)N1CC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1[*:1]
COc1nc(-c2ccccc2)ccc1-c1noc(C)n1 Cc1nc(no1)[*:1] COc1nc(ccc1[*:1])-c1ccccc1
COc1nc(-c2ccccc2)ccc1-c1noc(C)n1 c1ccc(cc1)[*:1] COc1nc(ccc1-c1noc(C)n1)[*:1]
CC[NH+](CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1)C1CCCC1 C1CCC(C1)[*:1] CC[NH+](CC(=O)Nc1cccc(c1)S(=O)(=O)/N=C1\CCCN1)[*:1]
CC[NH+](CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1)C1CCCC1 O=S(=O)(/N=C1\CCCN1)[*:1] CC[NH+](CC(=O)Nc1cccc(c1)[*:1])C1CCCC1
COC(=O)C1(N(C)C(=O)[C@H]2CC=CCC2)CCCCC1 COC(=O)[*:1] CN(C(=O)[C@H]1CC=CCC1)C1(CCCCC1)[*:1]
C[C@@H]([NH2+]CC1CCC1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]CC1CCC1)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]CC1CCC1)c1ccc(-c2ccccc2)cc1 C1CC(C1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(cc1)-c1ccccc1
CC(C)c1cc(NC(=O)C(=O)N2CCC[C@H](C(C)(C)C)CC2)no1 CC(C)[*:1] CC(C)(C)[C@H]1CCCN(CC1)C(=O)C(=O)Nc1cc(on1)[*:1]
CC(C)c1cc(NC(=O)C(=O)N2CCC[C@H](C(C)(C)C)CC2)no1 CC(C)(C)[*:1] CC(C)c1cc(no1)NC(=O)C(=O)N1CCC[C@H](CC1)[*:1]
CC(C)c1cc(NC(=O)C(=O)N2CCC[C@H](C(C)(C)C)CC2)no1 CC(C)c1cc(no1)[*:1] CC(C)(C)[C@H]1CCCN(CC1)C(=O)C(=O)N[*:1]
CCOc1ccc(NC(=O)N(C)CC[C@@H](C)O)cc1OC CCO[*:1] COc1cc(ccc1[*:1])NC(=O)N(C)CC[C@@H](C)O
CCOc1ccc(NC(=O)N(C)CC[C@@H](C)O)cc1OC C[C@@H](O)[*:1] CCOc1ccc(cc1OC)NC(=O)N(C)CC[*:1]
CCC[C@H]1C[C@@H]1NC(=O)/C=C/c1ccc(-n2ccnc2)cc1 CCC[*:1] O=C(/C=C/c1ccc(cc1)-n1ccnc1)N[C@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@@H]1NC(=O)/C=C/c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CCC[C@H]1C[C@@H]1NC(=O)/C=C/c1ccc(cc1)[*:1]
C=CCN(CC=C)C(=O)[C@](C)(N)C(F)(F)F C=CC[*:1] C=CCN(C(=O)[C@](C)(N)C(F)(F)F)[*:1]
C=CCN(CC=C)C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] C=CCN(CC=C)C(=O)[C@](C)(N)[*:1]
CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1OCC Cc1ccc(cc1C)[*:1] CCOc1ccc(cc1OCC)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)c(C)c1
CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)c(C)c1
CCCc1cc(NC(=O)N[C@H](CCO)c2ccccc2)n(C)n1 OCC[*:1] CCCc1cc(NC(=O)N[C@H](c2ccccc2)[*:1])n(C)n1
CCCc1cc(NC(=O)N[C@H](CCO)c2ccccc2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)N[C@H](CCO)c1ccccc1)[*:1]
CCCc1cc(NC(=O)N[C@H](CCO)c2ccccc2)n(C)n1 c1ccc(cc1)[*:1] CCCc1cc(NC(=O)N[C@H](CCO)[*:1])n(C)n1
CC(C)(NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1)c1nccs1 c1ccc(cc1)[*:1] CC(C)(NCC(=O)N[C@@H](C1CCCCC1)[*:1])c1nccs1
CC(C)(NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1)c1nccs1 C1CCC(CC1)[*:1] CC(C)(NCC(=O)N[C@@H](c1ccccc1)[*:1])c1nccs1
CC(C)(NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1)c1nccs1 c1csc(n1)[*:1] CC(C)(NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1)[*:1]
COC(=O)c1ccc(NC(=O)N2CCc3ccccc3C2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCc2ccccc2C1
CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1SCCc2ccccc21)C1CC1 CN(C(=O)[*:1])C1CC1 O=C([C@@H]1SCCc2ccccc21)N1CSC[C@@H]1[*:1]
CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1SCCc2ccccc21)C1CC1 C1CC1[*:1] CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1SCCc2ccccc21)[*:1]
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O Clc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(Cc2ccc(cc2)C(N)=O)C1=O)[*:1]
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O NC(=O)[*:1] C[C@]1(NC(=O)N(Cc2ccc(cc2)[*:1])C1=O)c1ccc(Cl)cc1
C[C@H](C(N)=O)N1CCN(Cc2nc3ccccc3n2C(F)F)CC1 C[C@H](C(N)=O)[*:1] FC(F)n1c(CN2CCN(CC2)[*:1])nc2ccccc21
C[C@H](C(N)=O)N1CCN(Cc2nc3ccccc3n2C(F)F)CC1 FC(F)[*:1] C[C@H](C(N)=O)N1CCN(CC1)Cc1nc2ccccc2n1[*:1]
C[C@H](C(N)=O)N1CCN(Cc2nc3ccccc3n2C(F)F)CC1 NC(=O)[*:1] C[C@H](N1CCN(CC1)Cc1nc2ccccc2n1C(F)F)[*:1]
CCOCc1noc(-c2ccc(OC)c(O)c2)n1 CCO[*:1] COc1ccc(cc1O)-c1nc(C[*:1])no1
CCOCc1noc(-c2ccc(OC)c(O)c2)n1 CCOC[*:1] COc1ccc(cc1O)-c1nc(no1)[*:1]
O=C(C1CC1)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] O=C(C1CC1)N1CCC[C@@H](C1)OCc1cccc(c1)[*:1]
O=C(C1CC1)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1 C1CC1[*:1] O=C(N1CCC[C@@H](C1)OCc1cccc(c1)C(F)(F)F)[*:1]
COCCOc1ncccc1C(=O)Nc1c(F)cc(F)cc1F COCC[*:1] O=C(Nc1c(F)cc(F)cc1F)c1cccnc1O[*:1]
COCCOc1ncccc1C(=O)Nc1c(F)cc(F)cc1F COC[*:1] O=C(Nc1c(F)cc(F)cc1F)c1cccnc1OC[*:1]
COCCOc1ncccc1C(=O)Nc1c(F)cc(F)cc1F COCCO[*:1] O=C(Nc1c(F)cc(F)cc1F)c1cccnc1[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccc(NC(C)=O)cc3)nc3ccccc3c2=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] COc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccc(NC(C)=O)cc3)nc3ccccc3c2=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccc(NC(C)=O)cc3)nc3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC(C)C)cc1 CC(C)[*:1] COC(=O)c1ccc(cc1)[C@@H]1C(C#N)=C(N)OC(C)=C1C(=O)O[*:1]
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC(C)C)cc1 COC(=O)[*:1] CC1OC(N)=C(C#N)[C@H](C=1C(=O)OC(C)C)c1ccc(cc1)[*:1]
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC(C)C)cc1 CC(C)OC(=O)[*:1] COC(=O)c1ccc(cc1)[C@@H]1C(C#N)=C(N)OC(C)=C1[*:1]
Cc1ccc(S(=O)(=O)Oc2ccccc2C=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Oc1ccccc1C=O
COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cn1 COC[*:1] O=C(Nc1ccc(cn1)-c1noc(n1)[C@@H]1CCCN1Cc1[nH]cc[nH+]1)[*:1]
COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cn1 COCC(=O)N[*:1] c1c[nH+]c(CN2CCC[C@H]2c2nc(no2)-c2ccc(nc2)[*:1])[nH]1
COCC[NH2+][C@@H](c1nc(C)c(C)s1)C1CC1 C1CC1[*:1] COCC[NH2+][C@@H](c1nc(C)c(C)s1)[*:1]
COCC[NH2+][C@@H](c1nc(C)c(C)s1)C1CC1 COC[*:1] Cc1nc(sc1C)[C@H]([NH2+]C[*:1])C1CC1
COCC[NH2+][C@@H](c1nc(C)c(C)s1)C1CC1 COCC[*:1] Cc1nc(sc1C)[C@H]([NH2+][*:1])C1CC1
C[C@@H](O)CN1CCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)C[C@H]1C C[C@@H](O)C[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CCN([C@H](C)C1)[*:1]
C[C@@H](O)CN1CCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)C[C@H]1C C[C@@H](O)[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CCN(C[*:1])[C@H](C)C1
CCC[NH+](Cc1cnc(Cl)s1)C1CC1 CCC[*:1] Clc1ncc(C[NH+](C2CC2)[*:1])s1
CCC[NH+](Cc1cnc(Cl)s1)C1CC1 C1CC1[*:1] CCC[NH+](Cc1cnc(Cl)s1)[*:1]
CCCC(=O)OCc1c(OC)cccc1OC CCC[*:1] COc1cccc(OC)c1COC(=O)[*:1]
CCC[NH2+][C@@H](C)c1cc(F)ccc1N(C)[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] CCC[NH2+][C@@H](C)c1cc(F)ccc1N(C)[*:1]
CCC[NH2+][C@@H](C)c1cc(F)ccc1N(C)[C@@H]1CCSC1 CCC[*:1] C[C@H]([NH2+][*:1])c1cc(F)ccc1N(C)[C@@H]1CCSC1
O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1cccc(Br)c1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)N[*:1])Nc1cccc(Br)c1
O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(Cc1csc(n1)NC(=O)Nc1ccccc1)N[*:1]
N#Cc1ccc(OC2CCC(NC(=O)NC(C3CC3)C3CC3)CC2)nc1 C1CC1[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)NC(C1CC1)[*:1]
N#Cc1ccc(OC2CCC(NC(=O)NC(C3CC3)C3CC3)CC2)nc1 C1CC1C(C1CC1)[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)N[*:1]
N#Cc1ccc(OC2CCC(NC(=O)NC(C3CC3)C3CC3)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(NC1CCC(CC1)O[*:1])NC(C1CC1)C1CC1
C/C=C(/C)C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C CC=C(C)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)NCC(F)(F)F
C/C=C(/C)C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C FC(F)(F)[*:1] C/C=C(/C)C(=O)Nc1cc(ccc1C)C(=O)NC[*:1]
C/C=C(/C)C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C FC(F)(F)C[*:1] C/C=C(/C)C(=O)Nc1cc(ccc1C)C(=O)N[*:1]
C/C=C(/C)C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C C/C=C(/C)C(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)NCC(F)(F)F
N#CCC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 N#CC[*:1] FC(F)(F)CN1CC[C@@H](C1)[NH2+][C@H](C[*:1])c1ccccc1
N#CCC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 FC(F)(F)C[*:1] N#CCC[C@@H]([NH2+][C@H]1CCN(C1)[*:1])c1ccccc1
N#CCC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 c1ccc(cc1)[*:1] N#CCC[C@@H]([NH2+][C@H]1CCN(C1)CC(F)(F)F)[*:1]
N#CCC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 N#CCC[*:1] FC(F)(F)CN1CC[C@@H](C1)[NH2+][C@@H](c1ccccc1)[*:1]
N#CCC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 FC(F)(F)[*:1] N#CCC[C@@H]([NH2+][C@H]1CCN(C1)C[*:1])c1ccccc1
CC[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)CC1 c1ncc(cn1)[*:1] CC[NH+]1CCN(CC1)CC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 CCC[*:1] C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)C(=O)N[*:1]
CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 CCCNC(=O)[*:1] C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)[*:1]
CC(=O)[C@]1(C)CC[C@@H](C(=O)[O-])C1(C)C CC(=O)[*:1] CC1(C)[C@@H](CC[C@]1(C)[*:1])C(=O)[O-]
CC(=O)[C@]1(C)CC[C@@H](C(=O)[O-])C1(C)C O=C([O-])[*:1] CC(=O)[C@]1(C)CC[C@@H](C1(C)C)[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCC1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
O=C(Nc1nnc(C(F)(F)F)s1)NC1CCCCC1 FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])NC1CCCCC1
O=C(Nc1nnc(C(F)(F)F)s1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1nnc(s1)C(F)(F)F)N[*:1]
Cc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)n2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nc(cs1)[*:1])C2=O
O=C([O-])[C@@H](CCCCO)c1ccc(Cl)cc1 OCCC[*:1] O=C([O-])[C@@H](C[*:1])c1ccc(Cl)cc1
O=C([O-])[C@@H](CCCCO)c1ccc(Cl)cc1 OCCCC[*:1] O=C([O-])[C@@H](c1ccc(Cl)cc1)[*:1]
O=C([O-])[C@@H](CCCCO)c1ccc(Cl)cc1 OCC[*:1] O=C([O-])[C@@H](CC[*:1])c1ccc(Cl)cc1
O=C([O-])[C@@H](CCCCO)c1ccc(Cl)cc1 O=C([O-])[*:1] OCCCC[C@@H](c1ccc(Cl)cc1)[*:1]
CSc1nc(-c2ccco2)nc(C)c1C(=O)N(C)C[C@@H](O)C1CC1 c1coc(c1)[*:1] CSc1nc(nc(C)c1C(=O)N(C)C[C@@H](O)C1CC1)[*:1]
CSc1nc(-c2ccco2)nc(C)c1C(=O)N(C)C[C@@H](O)C1CC1 C1CC1[*:1] CSc1nc(nc(C)c1C(=O)N(C)C[C@@H](O)[*:1])-c1ccco1
Cc1cccc([C@H]2[C@]3(C#N)C(N)=NC4(OCCO4)[C@]23C#N)c1 Cc1cccc(c1)[*:1] N#C[C@@]12C(N)=NC3(OCCO3)[C@]1(C#N)[C@H]2[*:1]
COc1ccc([N+](=O)[O-])cc1N/C([O-])=N/S(=O)(=O)c1ccc(C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1N/C([O-])=N/S(=O)(=O)c1ccc(C)cc1)[*:1]
COc1ccc([N+](=O)[O-])cc1N/C([O-])=N/S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1N/C([O-])=N/S(=O)(=O)[*:1])[N+](=O)[O-]
C=CCNC(=O)C1(NS(=O)(=O)c2cnn(C)c2)CCCCC1 Cn1cc(cn1)[*:1] C=CCNC(=O)C1(CCCCC1)NS(=O)(=O)[*:1]
C=CCNC(=O)C1(NS(=O)(=O)c2cnn(C)c2)CCCCC1 C=CCNC(=O)[*:1] Cn1cc(cn1)S(=O)(=O)NC1(CCCCC1)[*:1]
C=CCNC(=O)C1(NS(=O)(=O)c2cnn(C)c2)CCCCC1 C=CC[*:1] Cn1cc(cn1)S(=O)(=O)NC1(CCCCC1)C(=O)N[*:1]
CC[C@@]1(C2CC2)C[NH+]=C(N)N1c1ccccc1Cl C1CC1[*:1] CC[C@]1(C[NH+]=C(N)N1c1ccccc1Cl)[*:1]
Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N Clc1ccccc1[*:1] Cc1ccccc1NC(=O)CSc1nnc(n1N)[*:1]
Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N Cc1ccccc1[*:1] Nn1c(nnc1-c1ccccc1Cl)SCC(=O)N[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(=O)n(Cc2ccco2)c2ncccc21 c1coc(c1)C[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(=O)n(c2ncccc21)[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(=O)n(Cc2ccco2)c2ncccc21 c1coc(c1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(=O)n(C[*:1])c2ncccc21
COC(=O)c1cc(CNC(=O)CCl)cs1 COC(=O)[*:1] O=C(CCl)NCc1csc(c1)[*:1]
COC(=O)c1cc(CNC(=O)CCl)cs1 O=C(CCl)N[*:1] COC(=O)c1cc(cs1)C[*:1]
COc1ccccc1[C@@H]([NH2+]CCN1CCN(C(C)=O)CC1)C1CCCC1 C1CCC(C1)[*:1] COc1ccccc1[C@@H]([NH2+]CCN1CCN(CC1)C(C)=O)[*:1]
COc1ccccc1[C@@H]([NH2+]CCN1CCN(C(C)=O)CC1)C1CCCC1 COc1ccccc1[*:1] CC(=O)N1CCN(CC[NH2+][C@@H](C2CCCC2)[*:1])CC1
Cc1ccccc1CCC(=O)NCc1cn[nH]c1N Nc1[nH]ncc1[*:1] Cc1ccccc1CCC(=O)NC[*:1]
CC[C@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)[*:1]
Cc1ccccc1OCCN(C)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 Cc1ccccc1[*:1] CN(CCO[*:1])C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
CO[C@@H]1CN[C@@H](c2nc3ccc(N(C)C)nc3[nH]2)C1 CN(C)[*:1] CO[C@@H]1CN[C@H](C1)c1nc2ccc(nc2[nH]1)[*:1]
COc1cc(C)c([C@@H](C)[NH2+][C@@H](CO)c2ccc(Cl)cc2)cc1OC Clc1ccc(cc1)[*:1] COc1cc(C)c(cc1OC)[C@@H](C)[NH2+][C@@H](CO)[*:1]
CCC(=O)N1CCC([NH2+][C@H](CC)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@H](CC)[*:1]
CN(CC(=O)NC[C@@H]1C[C@]12CCc1ccccc12)C(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)NC[C@@H]1C[C@]12CCc1ccccc12)C(=O)[*:1]
CCN[C@@H](c1ccccc1OCC)[C@@H]1C[NH+]2CCN1CC2 CCO[*:1] CCN[C@@H](c1ccccc1[*:1])[C@@H]1C[NH+]2CCN1CC2
CCN[C@@H](c1ccccc1OCC)[C@@H]1C[NH+]2CCN1CC2 CCN[*:1] CCOc1ccccc1[C@@H]([C@@H]1C[NH+]2CCN1CC2)[*:1]
O=C(c1ccc([O-])nn1)N1CCC[C@@H]1c1ccsc1 c1cc(cs1)[*:1] O=C(c1ccc([O-])nn1)N1CCC[C@H]1[*:1]
O=C1Cc2cc(NC(=O)NCc3ccc(F)cc3)ccc2N1 Fc1ccc(cc1)[*:1] O=C1Cc2cc(ccc2N1)NC(=O)NC[*:1]
CCN(CC)c1nc(C(=O)N2CCOCC2)nc2nc(C)cc(C)c12 O=C(N1CCOCC1)[*:1] CCN(CC)c1nc(nc2nc(C)cc(C)c12)[*:1]
CCN(CC)c1nc(C(=O)N2CCOCC2)nc2nc(C)cc(C)c12 CCN(CC)[*:1] Cc1cc(C)c2c(nc(nc2n1)C(=O)N1CCOCC1)[*:1]
CC(=O)Nc1ccc(NC(=O)CN2C(=O)C=C(c3ccccc3)Nc3ccccc32)cc1 CC(=O)N[*:1] O=C(CN1C(=O)C=C(Nc2ccccc21)c1ccccc1)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CN2C(=O)C=C(c3ccccc3)Nc3ccccc32)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CN1C(=O)C=C(Nc2ccccc21)[*:1]
CC(=O)Nc1ccc(NC(=O)CN2C(=O)C=C(c3ccccc3)Nc3ccccc32)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(CN1C(=O)C=C(Nc2ccccc21)c1ccccc1)N[*:1]
N/C(=N/O)[C@H]1CCC[C@@H]1NC(=O)[C@@H]1Cc2ccccc2S1 N/C(=N/O)[*:1] O=C(N[C@H]1CCC[C@@H]1[*:1])[C@@H]1Cc2ccccc2S1
CCOc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C)ccc1O CCO[*:1] CN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(O)c(c1)[*:1]
CCOc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C)ccc1O Oc1ccccc1[*:1] CCOc1cc(ccc1O)[C@@H]1c2c(n[nH]c2C(=O)N1C)[*:1]
O=C1CCCc2[nH]c(=O)c(C(=O)NCC3CC3)cc21 C1CC1C[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)N[*:1]
O=C1CCCc2[nH]c(=O)c(C(=O)NCC3CC3)cc21 C1CC1[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)NC[*:1]
Cc1ccc([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)s1 Cc1ccc(s1)[*:1] CC(C)c1csc(n1)[C@H](C#N)C(=O)[C@H]1C[C@H]1[*:1]
Cc1ccc([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)s1 CC(C)[*:1] Cc1ccc(s1)[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(cs1)[*:1]
O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)N[C@@H]1CCCC[C@@H]1O O[C@H]1CCCC[C@H]1[*:1] O=C(N[C@H]1CCN(C1=O)c1c(F)cccc1F)N[*:1]
O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)N[C@@H]1CCCC[C@@H]1O Fc1cccc(F)c1[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])N[C@@H]1CCCC[C@@H]1O
C/C=C/COC(=O)c1cc(C2CC2)[nH]n1 CC=C[*:1] O=C(OC[*:1])c1cc([nH]n1)C1CC1
C/C=C/COC(=O)c1cc(C2CC2)[nH]n1 C/C=C/C[*:1] O=C(O[*:1])c1cc([nH]n1)C1CC1
C/C=C/COC(=O)c1cc(C2CC2)[nH]n1 C1CC1[*:1] C/C=C/COC(=O)c1cc([nH]n1)[*:1]
Cc1ccsc1C(=O)NCCCn1cncn1 c1ncn(n1)[*:1] Cc1ccsc1C(=O)NCCC[*:1]
C[C@@]1(C(=O)Nc2ccnn2Cc2ccccc2Cl)CC1(Cl)Cl Clc1ccccc1[*:1] C[C@]1(CC1(Cl)Cl)C(=O)Nc1ccnn1C[*:1]
CC(C)Oc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]2O)cc1F CC(C)[*:1] O=C(NCc1ccc(O[*:1])c(F)c1)NC[C@@H]1CCC[C@H]1O
CC(C)Oc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]2O)cc1F CC(C)O[*:1] O=C(NCc1ccc(c(F)c1)[*:1])NC[C@@H]1CCC[C@H]1O
Cc1c(CS(=O)(=O)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])CS(=O)(=O)[C@H](C)c1ccccc1
Cc1c(CS(=O)(=O)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])CS(=O)(=O)[C@H](C)[*:1]
CC[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(F)c1 CC[C@H](C)[*:1] Cc1ccc(cc1F)NC(=O)C(=O)N[*:1]
O=C1NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1CCOc1ccccc1 Clc1ccc(cc1)C[*:1] O=C1NC2(CC[NH+](CC2)[*:1])C(=O)N1CCOc1ccccc1
O=C1NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1CCOc1ccccc1 c1ccc(cc1)OC[*:1] O=C1NC2(CC[NH+](CC2)Cc2ccc(Cl)cc2)C(=O)N1C[*:1]
O=C1NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1CCOc1ccccc1 c1ccc(cc1)O[*:1] O=C1NC2(CC[NH+](CC2)Cc2ccc(Cl)cc2)C(=O)N1CC[*:1]
O=C1NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1CCOc1ccccc1 Clc1ccc(cc1)[*:1] O=C1NC2(CC[NH+](CC2)C[*:1])C(=O)N1CCOc1ccccc1
O=C1NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1CCOc1ccccc1 c1ccc(cc1)OCC[*:1] O=C1NC2(CC[NH+](CC2)Cc2ccc(Cl)cc2)C(=O)N1[*:1]
O=C1NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1CCOc1ccccc1 c1ccc(cc1)[*:1] O=C1NC2(CC[NH+](CC2)Cc2ccc(Cl)cc2)C(=O)N1CCO[*:1]
C[C@H](NC(=O)c1cccn1-c1cccc(I)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)c1cccn1-c1cccc(I)c1)[*:1]
C[C@H](NC(=O)c1cccn1-c1cccc(I)c1)c1ccncc1 Ic1cccc(c1)[*:1] C[C@H](NC(=O)c1cccn1[*:1])c1ccncc1
CC(C)C[C@H](NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)[O-] CC(C)C[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
CC(C)C[C@H](NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)[O-] CC(C)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)N[C@@H](C[*:1])C(=O)[O-]
CC(C)C[C@H](NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)[*:1]
Cc1nc2ccc3nc(NC(=O)CN(C)S(C)(=O)=O)sc3c2s1 CN(C[*:1])S(C)(=O)=O Cc1nc2ccc3nc(NC(=O)[*:1])sc3c2s1
Cc1nc2ccc3nc(NC(=O)CN(C)S(C)(=O)=O)sc3c2s1 CN(S(C)(=O)=O)[*:1] Cc1nc2ccc3nc(NC(=O)C[*:1])sc3c2s1
O=C(/C=C/c1ccco1)N1CCC(CNS(=O)(=O)c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] O=C(/C=C/c1ccco1)N1CCC(CC1)CNS(=O)(=O)[*:1]
O=C(/C=C/c1ccco1)N1CCC(CNS(=O)(=O)c2ccc(Cl)s2)CC1 C(=C[*:1])c1ccco1 O=C(N1CCC(CC1)CNS(=O)(=O)c1ccc(Cl)s1)[*:1]
O=C(/C=C/c1ccco1)N1CCC(CNS(=O)(=O)c2ccc(Cl)s2)CC1 c1coc(c1)[*:1] O=C(C=C[*:1])N1CCC(CC1)CNS(=O)(=O)c1ccc(Cl)s1
CC(C)(C)[C@H](O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CC(C)(C)[C@H](O)CCNC(=O)c1cc(ccc1Cl)[*:1]
CC(C)(C)[C@H](O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl CC(C)(C)[*:1] O=C(NCC[C@@H](O)[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
CC(C)(C)[C@H](O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl CC(C)(C)[C@H](O)C[*:1] O=C(NC[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
O=C(CC[C@H]1CCCO1)Oc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(CC[C@H]1CCCO1)Oc1cccc(c1)NC(=O)[*:1]
Cc1nc(N)ncc1C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 Cc1nc(N)ncc1[*:1] O=C(NCc1ccc(cc1)S(=O)(=O)N1CCCC1)[*:1]
Cc1nc(N)ncc1C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] Cc1nc(N)ncc1C(=O)NCc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1C Clc1cccc(c1)[*:1] Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)N[C@@H](C)[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](NC(=O)CCNS(=O)(=O)[*:1])c1cccc(Cl)c1
Brc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 Brc1ccccc1[*:1] c1ccc(NC2CC[NH+](CC2)C[*:1])[nH+]c1
Brc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 c1ccc([nH+]c1)[*:1] Brc1ccccc1C[NH+]1CCC(CC1)N[*:1]
CCCO[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 CCC[*:1] O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](C1)O[*:1]
CCCO[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 CCCO[*:1] O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](C1)[*:1]
C[C@@H]1C[C@H]1Nc1nc(Cl)ncc1Br C[C@@H]1C[C@@H]1[*:1] Clc1ncc(Br)c(n1)N[*:1]
C[C@@H](O)CN(C)C(=O)NCCc1cccc(C(N)=O)c1 NC(=O)[*:1] C[C@@H](O)CN(C)C(=O)NCCc1cccc(c1)[*:1]
C[C@@H](O)CN(C)C(=O)NCCc1cccc(C(N)=O)c1 C[C@@H](O)[*:1] CN(C[*:1])C(=O)NCCc1cccc(c1)C(N)=O
C[C@@H](O)CN(C)C(=O)NCCc1cccc(C(N)=O)c1 C[C@@H](O)C[*:1] CN(C(=O)NCCc1cccc(c1)C(N)=O)[*:1]
CC(=O)N[C@@H]1[C@@H](Oc2cccc([N+](=O)[O-])c2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O O=[N+]([O-])[*:1] CC(=O)N[C@@H]1[C@@H](Oc2cccc(c2)[*:1])O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O
CC(=O)N[C@@H]1[C@@H](Oc2cccc([N+](=O)[O-])c2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O CC(=O)N[*:1] CC1(C)OC[C@H]2O[C@H](Oc3cccc(c3)[N+](=O)[O-])[C@H]([C@@H](O)[C@H]2O1)[*:1]
CC(=O)N[C@@H]1[C@@H](Oc2cccc([N+](=O)[O-])c2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O O=[N+]([O-])c1cccc(c1)[*:1] CC(=O)N[C@@H]1[C@H](O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O)O[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1cccc(Cl)c1Cl c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])C(=O)Nc1cccc(Cl)c1Cl
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N[*:1]
Cc1ccc(F)c(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1 c1cnc(nc1)[*:1] Cc1ccc(F)c(c1)NC(=O)NC[C@H]1CCCN(C1)[*:1]
Cc1ccc(F)c(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1 Cc1ccc(F)c(c1)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)N[*:1]
CSc1nc([O-])nc(C)c1C(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CSc1nc([O-])nc(C)c1C(=O)N1C[C@H](C)O[C@H](C1)[*:1]
CC(C)[C@@H](C)S(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](C)S(=O)(=O)Cc1coc(n1)[*:1]
CC(C)[C@@H](C)S(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 CC(C)[*:1] C[C@@H](S(=O)(=O)Cc1coc(n1)-c1ccc(F)cc1)[*:1]
C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(CC(=O)NC(C)(C)C)CC1 CC(C)(C)NC(=O)C[*:1] C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(CC1)[*:1]
C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(CC(=O)NC(C)(C)C)CC1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])[NH+]1CCN(CC1)CC(=O)NC(C)(C)C
C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(CC(=O)NC(C)(C)C)CC1 CC(C)(C)NC(=O)[*:1] C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(CC1)C[*:1]
C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(CC(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(CC1)CC(=O)N[*:1]
Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(F)cc2)c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)[C@H](CC(=O)c1ccc(F)cc1)[*:1]
Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(F)cc2)c2cccs2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)[C@H](CC(=O)[*:1])c1cccs1
Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(F)cc2)c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@H](c1cccs1)S(=O)(=O)[*:1])c1ccc(F)cc1
CCOc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1OC c1ccc(cc1)[*:1] CCOc1ccc(cc1OC)-c1nc(cs1)CN1CCN(CC1)[*:1]
CCOc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])-c1nc(cs1)CN1CCN(CC1)c1ccccc1
CCOc1ccc([C@H](NC)C(F)(F)C(F)(F)F)c(Br)c1 CCO[*:1] CN[C@@H](c1ccc(cc1Br)[*:1])C(F)(F)C(F)(F)F
CCOc1ccc([C@H](NC)C(F)(F)C(F)(F)F)c(Br)c1 FC(F)(F)[*:1] CCOc1ccc(c(Br)c1)[C@H](NC)C(F)(F)[*:1]
Cc1cnn(CCc2nc3ccc(Cl)cc3c(=O)[nH]2)c1 Cc1cnn(c1)[*:1] O=c1[nH]c(CC[*:1])nc2ccc(Cl)cc12
CC(=O)Nc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)NC(=O)Cn1cc(nc1C)[*:1]
CC(=O)Nc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 CC(=O)N[*:1] Cc1nc(cn1CC(=O)Nc1ccc(cc1)[*:1])[N+](=O)[O-]
CC(C)[C@H](CS)COc1ccc(C#N)cc1[N+](=O)[O-] CC(C)[*:1] N#Cc1ccc(OC[C@@H](CS)[*:1])c(c1)[N+](=O)[O-]
CC(C)[C@H](CS)COc1ccc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)[C@H](CS)COc1ccc(C#N)cc1[*:1]
CC(C)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] CC(C)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CC(C)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 CC(C)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)nc(-n2cc(C(=O)N(C)C[C@@H](O)C3CC3)c(C(C)C)n2)n1 C1CC1[*:1] Cc1cc(C)nc(n1)-n1cc(C(=O)N(C)C[C@@H](O)[*:1])c(n1)C(C)C
Cc1cc(C)nc(-n2cc(C(=O)N(C)C[C@@H](O)C3CC3)c(C(C)C)n2)n1 Cc1cc(C)nc(n1)[*:1] CC(C)c1nn(cc1C(=O)N(C)C[C@@H](O)C1CC1)[*:1]
Cc1cc(C)nc(-n2cc(C(=O)N(C)C[C@@H](O)C3CC3)c(C(C)C)n2)n1 CC(C)[*:1] Cc1cc(C)nc(n1)-n1cc(C(=O)N(C)C[C@@H](O)C2CC2)c(n1)[*:1]
CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])O1 O=[N+]([O-])[*:1] CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc(Cl)cc2[*:1])O1
CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])O1 CN(C)C(=O)[*:1] O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CC[C@H](O1)[*:1]
Cc1nnc2ccc(C(=O)N3C[C@H](O)C[C@@H]3c3cc(F)ccc3F)cn12 Fc1ccc(F)c(c1)[*:1] Cc1nnc2ccc(cn12)C(=O)N1C[C@H](O)C[C@H]1[*:1]
CC(=O)N(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2C)cc1 CC(=O)N(C)[*:1] Cc1cc(cnc1Nc1ccc(cc1)[*:1])[N+](=O)[O-]
CC(=O)N(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2C)cc1 O=[N+]([O-])[*:1] CC(=O)N(C)c1ccc(cc1)Nc1ncc(cc1C)[*:1]
CC(C)N/C([O-])=N/S(=O)(=O)c1c[nH+]ccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 CC(C)[*:1] O=S(=O)(/N=C(\[O-])N[*:1])c1c[nH+]ccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
COC(=O)[C@H](C)NC(=O)c1ccc(O)c(Cl)c1 COC(=O)[*:1] C[C@H](NC(=O)c1ccc(O)c(Cl)c1)[*:1]
C[C@@H]1CN(C(=O)C=C2CCSCC2)C[C@@H](c2ccc(F)cc2)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](O1)[*:1])C(=O)C=C1CCSCC1
C[C@H](NC(=O)[C@H]1CC=CCC1)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@H](NC(=O)[C@H]1CC=CCC1)c1cccc(c1)[*:1]
O=C(NCCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccco1 c1coc(c1)[*:1] O=C(NCCNC(=O)[*:1])[C@@H]1C[C@@H]2C=C[C@H]1C2
O=C([O-])[C@@H]1C[C@@H]1c1ccc(Br)cc1 O=C([O-])[*:1] Brc1ccc(cc1)[C@H]1C[C@H]1[*:1]
CCC[C@@H](C)C(=O)Nc1nnc(CC(C)(C)C)s1 CC(C)(C)[*:1] CCC[C@@H](C)C(=O)Nc1nnc(C[*:1])s1
CCC[C@@H](C)C(=O)Nc1nnc(CC(C)(C)C)s1 CC(C)(C)C[*:1] CCC[C@@H](C)C(=O)Nc1nnc(s1)[*:1]
CCC[C@@H](C)C(=O)Nc1nnc(CC(C)(C)C)s1 CCC[*:1] C[C@@H](C(=O)Nc1nnc(CC(C)(C)C)s1)[*:1]
CCC[C@@H](C)C(=O)Nc1nnc(CC(C)(C)C)s1 CCC[C@@H](C)[*:1] CC(C)(C)Cc1nnc(NC(=O)[*:1])s1
CNc1nc([C@H]2CCCN(C(C)=O)C2)[nH+]c2c1CCN(C(=O)c1cccc3cccnc13)C2 c1cnc2c(cccc2c1)[*:1] CNc1nc([nH+]c2CN(CCc12)C(=O)[*:1])[C@H]1CCCN(C1)C(C)=O
CCn1c(SCC(=O)c2cc(F)ccc2F)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])SCC(=O)c1cc(F)ccc1F
CCn1c(SCC(=O)c2cc(F)ccc2F)nnc1-c1ccncc1 Fc1ccc(F)c(c1)[*:1] CCn1c(nnc1-c1ccncc1)SCC(=O)[*:1]
Cc1ccc(C[NH2+]C2CCN(C3CC3)CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)C[NH2+]C1CCN(CC1)[*:1]
CC(=O)NCCNC(=O)NCc1cccc(NC(=O)c2ccco2)c1 CC(=O)NC[*:1] O=C(NCc1cccc(c1)NC(=O)c1ccco1)NC[*:1]
CC(=O)NCCNC(=O)NCc1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] CC(=O)NCCNC(=O)NCc1cccc(c1)NC(=O)[*:1]
CC(=O)NCCNC(=O)NCc1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 CC(=O)NCCNC(=O)NCc1cccc(c1)[*:1]
CC(=O)NCCNC(=O)NCc1cccc(NC(=O)c2ccco2)c1 CC(=O)N[*:1] O=C(NCC[*:1])NCc1cccc(c1)NC(=O)c1ccco1
CC(=O)NCCNC(=O)NCc1cccc(NC(=O)c2ccco2)c1 CC(=O)NCC[*:1] O=C(NCc1cccc(c1)NC(=O)c1ccco1)N[*:1]
O=C(c1cnn(C(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1O Oc1ccccc1[*:1] O=C(c1ccc2OCOc2c1)n1cc(cn1)C(=O)[*:1]
CCOc1ccccc1CNC(=O)c1ccc(C)c(-n2c(C)nc3cccnc32)c1 CCO[*:1] Cc1ccc(cc1-n1c(C)nc2cccnc21)C(=O)NCc1ccccc1[*:1]
CCOc1ccccc1CNC(=O)c1ccc(C)c(-n2c(C)nc3cccnc32)c1 CCOc1ccccc1C[*:1] Cc1ccc(cc1-n1c(C)nc2cccnc21)C(=O)N[*:1]
CCOc1ccccc1CNC(=O)c1ccc(C)c(-n2c(C)nc3cccnc32)c1 CCOc1ccccc1[*:1] Cc1ccc(cc1-n1c(C)nc2cccnc21)C(=O)NC[*:1]
CCOc1ccccc1CNC(=O)c1ccc(C)c(-n2c(C)nc3cccnc32)c1 Cc1nc2cccnc2n1[*:1] CCOc1ccccc1CNC(=O)c1ccc(C)c(c1)[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)c3n[nH]c4c3CCC4)CC2)c1 C1Cc2[nH]nc(c2C1)[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)c3n[nH]c4c3CCC4)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(c1n[nH]c2CCCc12)N1CC=C(CC1)[*:1]
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(OC)c(OC)c2)c1 CCS(=O)(=O)[*:1] COc1ccc(cc1OC)C(=O)Nc1cc(ccc1O)[*:1]
CC(=O)NCCc1nc2ccccc2n1CC(=O)NC[C@H]1CCCO1 CC(=O)NC[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)NC[C@H]1CCCO1
CC(=O)NCCc1nc2ccccc2n1CC(=O)NC[C@H]1CCCO1 CC(=O)N[*:1] O=C(Cn1c(CC[*:1])nc2ccccc21)NC[C@H]1CCCO1
CC(=O)NCCc1nc2ccccc2n1CC(=O)NC[C@H]1CCCO1 CC(=O)NCC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])NC[C@H]1CCCO1
CCC(C)(C)c1ccc([C@H](N)C[NH3+])cc1 CCC(C)(C)[*:1] N[C@H](C[NH3+])c1ccc(cc1)[*:1]
C[C@H](NC(=O)NC[C@H](C)N1CCOCC1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@H](NC(=O)NC[C@H](C)N1CCOCC1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NC[C@H](C)N1CCOCC1)c1ccc(N2CCCC2=O)cc1 C[C@H](N1CCOCC1)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(cc1)N1CCCC1=O
C[C@H](NC(=O)NC[C@H](C)N1CCOCC1)c1ccc(N2CCCC2=O)cc1 C[C@@H](C[*:1])N1CCOCC1 C[C@H](NC(=O)N[*:1])c1ccc(cc1)N1CCCC1=O
C[C@H](NC(=O)NC[C@H](C)N1CCOCC1)c1ccc(N2CCCC2=O)cc1 C1CN(CCO1)[*:1] C[C@H](NC(=O)NC[C@H](C)[*:1])c1ccc(cc1)N1CCCC1=O
COC[C@H](NC(=O)Cc1ccc(C)c(O)c1)c1ccc(C)o1 COC[*:1] Cc1ccc(o1)[C@@H](NC(=O)Cc1ccc(C)c(O)c1)[*:1]
COC[C@H](NC(=O)Cc1ccc(C)c(O)c1)c1ccc(C)o1 Cc1ccc(o1)[*:1] COC[C@H](NC(=O)Cc1ccc(C)c(O)c1)[*:1]
CO[C@@H](C)[C@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 CO[C@@H](C)[*:1] [NH3+][C@H]([C@@H]1CCOC2(CCSCC2)C1)[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](C)CC1)n2Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](C)CC1)n2C[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](C)CC1)n2Cc1ccc(Br)cc1 Brc1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CC[NH+](C)CC1)n2[*:1]
C=CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C C=CCNC(=O)[*:1] Cc1ccc(c(C)c1)-c1nn(cc1[*:1])-c1ccccc1
C=CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C C=CC[*:1] Cc1ccc(c(C)c1)-c1nn(cc1C(=O)N[*:1])-c1ccccc1
C=CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C c1ccc(cc1)[*:1] C=CCNC(=O)c1cn(nc1-c1ccc(C)cc1C)[*:1]
C=CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] C=CCNC(=O)c1cn(nc1[*:1])-c1ccccc1
Cc1ncsc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 Cc1ncsc1C[*:1] C[NH+](C)CCNC(=O)C1CCN(CC1)[*:1]
Cc1ncsc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 Cc1ncsc1[*:1] C[NH+](C)CCNC(=O)C1CCN(CC1)C[*:1]
CCN(C(=O)c1cnc2ccc(C)cn12)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)c1cnc2ccc(C)cn12)[*:1]
CC(C)c1ncc(Cl)c(C(=O)NC[C@H](CCO)c2ccccc2)n1 CC(C)[*:1] O=C(NC[C@H](CCO)c1ccccc1)c1nc(ncc1Cl)[*:1]
CC(C)c1ncc(Cl)c(C(=O)NC[C@H](CCO)c2ccccc2)n1 OCC[*:1] CC(C)c1ncc(Cl)c(n1)C(=O)NC[C@H](c1ccccc1)[*:1]
CC(C)c1ncc(Cl)c(C(=O)NC[C@H](CCO)c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)c1ncc(Cl)c(n1)C(=O)NC[C@H](CCO)[*:1]
CN(C)N(C(=O)c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 FC(F)O[*:1] CN(C)N(C(=O)c1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CN(C)N(C(=O)c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 FC(F)[*:1] CN(C)N(C(=O)c1ccc(cc1)O[*:1])[C@@H]1CCS(=O)(=O)C1
CNC(=O)CCN(C)C(=O)c1ccc(C(C)(C)C)cc1 CNC(=O)[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)C(C)(C)C
CNC(=O)CCN(C)C(=O)c1ccc(C(C)(C)C)cc1 CNC(=O)C[*:1] CN(C[*:1])C(=O)c1ccc(cc1)C(C)(C)C
CNC(=O)CCN(C)C(=O)c1ccc(C(C)(C)C)cc1 CNC(=O)CC[*:1] CN(C(=O)c1ccc(cc1)C(C)(C)C)[*:1]
CNC(=O)CCN(C)C(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CNC(=O)CCN(C)C(=O)c1ccc(cc1)[*:1]
Cc1ccc([C@@H]2CN(Cc3nc(=O)c4sccc4[nH]3)CCO2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=c1nc(CN2CCO[C@@H](C2)[*:1])[nH]c2ccsc12
COc1ccc([C@H]2C[C@H](C)N(C(=O)C=C(C)C)C2)cc1 CC(C)=C[*:1] COc1ccc(cc1)[C@H]1C[C@H](C)N(C1)C(=O)[*:1]
Cc1cc(C(=O)CN2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)CN2CC[NH+](CC2)[C@@H]2CCS(=O)(=O)C2)c(C)n1[*:1]
Cc1cc(C(=O)CN2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CN2CC[NH+](CC2)[C@@H]2CCS(=O)(=O)C2)c(C)n1C[*:1]
CCCCSc1nc(N)cc(N2CCCN(C(=O)C3CCC3)CC2)n1 C1CC(C1)[*:1] CCCCSc1nc(N)cc(n1)N1CCCN(CC1)C(=O)[*:1]
CCCCSc1nc(N)cc(N2CCCN(C(=O)C3CCC3)CC2)n1 CCCC[*:1] Nc1cc(nc(n1)S[*:1])N1CCCN(CC1)C(=O)C1CCC1
CCCCSc1nc(N)cc(N2CCCN(C(=O)C3CCC3)CC2)n1 CCC[*:1] Nc1cc(nc(n1)SC[*:1])N1CCCN(CC1)C(=O)C1CCC1
CCCCSc1nc(N)cc(N2CCCN(C(=O)C3CCC3)CC2)n1 CCCCS[*:1] Nc1cc(nc(n1)[*:1])N1CCCN(CC1)C(=O)C1CCC1
O=C(NCCc1ccc[nH]1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 c1c[nH]c(c1)C[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1ccc2ccccc2c1
O=C(NCCc1ccc[nH]1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 c1c[nH]c(c1)CC[*:1] O=C(N[*:1])[C@@H]1C[C@@H]1c1ccc2ccccc2c1
O=C(NCCc1ccc[nH]1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 c1c[nH]c(c1)[*:1] O=C(NCC[*:1])[C@@H]1C[C@@H]1c1ccc2ccccc2c1
CCn1/c(=N/C(=O)C[NH+](C)C(C)C)[nH]c2ccc(Br)cc21 CC(C)[*:1] CCn1/c(=N/C(=O)C[NH+](C)[*:1])[nH]c2ccc(Br)cc21
CCC[NH2+]CC(C)(C)COc1ccccc1 CCC[*:1] CC(C)(C[NH2+][*:1])COc1ccccc1
CCN[C@]1(C#N)CCC[C@H](OCC(F)(F)F)C1 FC(F)(F)C[*:1] CCN[C@]1(C#N)CCC[C@@H](C1)O[*:1]
CCN[C@]1(C#N)CCC[C@H](OCC(F)(F)F)C1 CCN[*:1] N#C[C@@]1(CCC[C@@H](C1)OCC(F)(F)F)[*:1]
CCN[C@]1(C#N)CCC[C@H](OCC(F)(F)F)C1 FC(F)(F)[*:1] CCN[C@]1(C#N)CCC[C@@H](C1)OC[*:1]
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cnn(C)c(=O)c1Cl Fc1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1c1cnn(C)c(=O)c1Cl)[*:1]
C[NH+](C)[C@H](CNC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1cc(Cl)c2OCCCOc2c1)[*:1]
Fc1ccccc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] Fc1ccccc1C[NH2+][C@H]1CCC[C@@H](C1)[*:1]
CCNc1nc([C@@H](C)OC)nc(C(C)C)c1I CCN[*:1] CO[C@H](C)c1nc(c(I)c(n1)[*:1])C(C)C
CCNc1nc([C@@H](C)OC)nc(C(C)C)c1I CC(C)[*:1] CCNc1nc(nc(c1I)[*:1])[C@@H](C)OC
CCNc1nc([C@@H](C)OC)nc(C(C)C)c1I CO[C@H](C)[*:1] CCNc1nc(nc(c1I)C(C)C)[*:1]
CC[NH2+]Cc1nc(C)ccc1O[C@@H](C)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC[NH2+]Cc1nc(C)ccc1O[C@@H](C)[*:1]
COc1ccc(OC)c(NCC[NH2+]C(C)(C)C)c1 CC(C)(C)[*:1] COc1ccc(OC)c(c1)NCC[NH2+][*:1]
CCOc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1CO CCO[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)Nc1ccc(c(c1)CO)[*:1]
O=C([O-])[C@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 O=C([O-])[*:1] FC(F)(F)c1ccc(cc1)C1C[C@@H](ON=1)[*:1]
O=C([O-])[C@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 FC(F)(F)[*:1] O=C([O-])[C@H]1CC(=NO1)c1ccc(cc1)[*:1]
O=C(NC[C@@]1(O)CCOc2ccccc21)C1CCC1 C1CC(C1)[*:1] O=C(NC[C@@]1(O)CCOc2ccccc21)[*:1]
CC(=O)NCCNC(=O)N[C@@H]1CCC[C@H](C)C1 CC(=O)N[*:1] C[C@H]1CCC[C@H](C1)NC(=O)NCC[*:1]
CC(=O)NCCNC(=O)N[C@@H]1CCC[C@H](C)C1 CC(=O)NC[*:1] C[C@H]1CCC[C@H](C1)NC(=O)NC[*:1]
Cc1oc(C(=O)NC2CC(C)C2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)NC1CC(C)C1
Cc1oc(C(=O)NC2CC(C)C2)cc1S(=O)(=O)N(C)C CC1CC(C1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)N[*:1]
CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(F)cc3)cc12 Fc1ccc(cc1)[*:1] CC(=O)c1c(C)oc2ccc(cc12)N(C(C)=O)S(=O)(=O)[*:1]
CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(F)cc3)cc12 CC(=O)[*:1] CC(=O)N(c1ccc2oc(C)c(c2c1)[*:1])S(=O)(=O)c1ccc(F)cc1
O=C(CCNC(=O)c1ccc2ccccc2c1)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(CCNC(=O)c1ccc2ccccc2c1)NC(C1CC1)[*:1]
O=C(CCNC(=O)c1ccc2ccccc2c1)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] O=C(CCNC(=O)c1ccc2ccccc2c1)N[*:1]
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(=O)n(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(Nc1nc2ccc(cc2s1)[N+](=O)[O-])c1ccc(=O)n(c1)[*:1]
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(=O)n(Cc2ccccc2)c1 O=[N+]([O-])[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1ccc(=O)n(c1)Cc1ccccc1
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(=O)n(Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1nc2ccc(cc2s1)[N+](=O)[O-])c1ccc(=O)n(c1)C[*:1]
CCCSc1c(C(N)=O)ccc(N)c1C CCCS[*:1] Cc1c(N)ccc(C(N)=O)c1[*:1]
CCCSc1c(C(N)=O)ccc(N)c1C CCC[*:1] Cc1c(N)ccc(C(N)=O)c1S[*:1]
CCCSc1c(C(N)=O)ccc(N)c1C NC(=O)[*:1] CCCSc1c(ccc(N)c1C)[*:1]
CC(C)[NH+](CC[NH2+][C@@H]1CCCCC1(C)C)C(C)C CC(C)[*:1] CC(C)[NH+](CC[NH2+][C@@H]1CCCCC1(C)C)[*:1]
COc1cccc(NC(=O)[C@@]2(C#N)Cc3ccccc3N3CCC[C@@H]32)c1 COc1cccc(c1)[*:1] N#C[C@@]1(Cc2ccccc2N2CCC[C@@H]21)C(=O)N[*:1]
CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1C(=O)N[*:1]
CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1 CC(=O)N[*:1] CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC(C)C)CC2=O)cc1 CC(C)NC(=O)[*:1] CC(=O)Nc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
COCc1cc(=O)[nH]c(/N=C(/N)Nc2ccc(C)cc2)n1 COC[*:1] Cc1ccc(cc1)N/C(N)=N\c1nc(cc(=O)[nH]1)[*:1]
COCc1cc(=O)[nH]c(/N=C(/N)Nc2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] COCc1cc(=O)[nH]c(/N=C(/N)N[*:1])n1
CN(CC(C)(C)S(C)(=O)=O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 CC(C)(S(C)(=O)=O)[*:1] CN(C[*:1])[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21
CN(CC(C)(C)S(C)(=O)=O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 CS(=O)(=O)[*:1] CN(CC(C)(C)[*:1])[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21
O=C(C[n+]1ccccc1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 c1cc[n+](cc1)C[*:1] O=C(N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)[*:1]
O=C(C[n+]1ccccc1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 C1CCC(CC1)[*:1] O=C(C[n+]1ccccc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(C[n+]1ccccc1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 c1cc[n+](cc1)[*:1] O=C(C[*:1])N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1
CN(Cc1cccc2ccccc12)C(=O)NCc1ncnn1C Cn1ncnc1[*:1] CN(Cc1cccc2ccccc12)C(=O)NC[*:1]
CN(Cc1cccc2ccccc12)C(=O)NCc1ncnn1C Cn1ncnc1C[*:1] CN(Cc1cccc2ccccc12)C(=O)N[*:1]
CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1[*:1]
CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 CCCNC(=O)[*:1] Cc1ccc(cc1)[C@@H]1[C@@H](CCC(=O)N1C)[*:1]
CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)[C@@H]1[C@@H](CCC(=O)N1C)C(=O)N[*:1]
O=C(NCCc1cc(F)ccc1F)N[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1cc(F)ccc1F)N[C@@H]1C[C@@H]1[*:1]
CN(C)N1C(=O)C[C@H](c2ccc(C(F)(F)F)cc2)C2=C1CC(C)(C)CC2=O FC(F)(F)[*:1] CN(C)N1C(=O)C[C@@H](C2C(=O)CC(C)(C)CC=21)c1ccc(cc1)[*:1]
C#CCN1CC[NH+](CCCc2csc(C)n2)CC1 Cc1nc(cs1)[*:1] C#CCN1CC[NH+](CCC[*:1])CC1
C#CCN1CC[NH+](CCCc2csc(C)n2)CC1 C#CC[*:1] Cc1nc(cs1)CCC[NH+]1CCN(CC1)[*:1]
CCC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(C)cc1C CCC[*:1] Cc1ccc(c(C)c1)[C@H]1CC[NH2+]C[C@H]1[*:1]
CCN(Cc1ccccc1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 O=C1CCC(=O)N1[*:1] CCN(Cc1ccccc1)C(=O)c1cccc(c1)[*:1]
CCN(Cc1ccccc1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)c1cccc(c1)N1C(=O)CCC1=O
CCN(Cc1ccccc1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 c1ccc(cc1)C[*:1] CCN(C(=O)c1cccc(c1)N1C(=O)CCC1=O)[*:1]
O=C(CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2)N[*:1]
N#C/C(=C\c1cccc2[nH]ccc12)C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] N#C/C(=C\c1cccc2[nH]ccc12)C(=O)NC[*:1]
N#C/C(=C\c1cccc2[nH]ccc12)C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1cccc2[nH]ccc12)C(=O)NCC[*:1]
N#C/C(=C\c1cccc2[nH]ccc12)C(=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] N#C/C(=C\c1cccc2[nH]ccc12)C(=O)N[*:1]
CCOCCCC(=O)[C@H](C#N)c1nc(C)cc(C)n1 CCOCCC[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)[*:1]
CCOCCCC(=O)[C@H](C#N)c1nc(C)cc(C)n1 CCO[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)CCC[*:1]
CCOCCCC(=O)[C@H](C#N)c1nc(C)cc(C)n1 CCOC[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)CC[*:1]
CCOCCCC(=O)[C@H](C#N)c1nc(C)cc(C)n1 CCOCC[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)C[*:1]
Cc1ccc2c(CC(=O)N(C)C3(C#N)CCC3)coc2c1C N#CC1(CCC1)[*:1] Cc1ccc2c(coc2c1C)CC(=O)N(C)[*:1]
CNC(=O)CN1CCN(c2cncc(OCC(C)C)n2)CC1 CNC(=O)[*:1] CC(C)COc1cncc(n1)N1CCN(CC1)C[*:1]
CNC(=O)CN1CCN(c2cncc(OCC(C)C)n2)CC1 CNC(=O)C[*:1] CC(C)COc1cncc(n1)N1CCN(CC1)[*:1]
CNC(=O)CN1CCN(c2cncc(OCC(C)C)n2)CC1 CC(C)CO[*:1] CNC(=O)CN1CCN(CC1)c1cncc(n1)[*:1]
CNC(=O)CN1CCN(c2cncc(OCC(C)C)n2)CC1 CC(C)[*:1] CNC(=O)CN1CCN(CC1)c1cncc(n1)OC[*:1]
CNC(=O)CN1CCN(c2cncc(OCC(C)C)n2)CC1 CC(C)C[*:1] CNC(=O)CN1CCN(CC1)c1cncc(n1)O[*:1]
Cc1cc(C)nc(SCC(=O)N/N=C/C2=CC[C@@H]3C[C@H]2C3(C)C)n1 Cc1cc(C)nc(n1)[*:1] CC1(C)[C@@H]2CC=C(/C=N/NC(=O)CS[*:1])[C@H]1C2
COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1C)[C@@](C)(C(=O)NC1CCCCC1)C2 O=C(NC1CCCCC1)[*:1] COC(=O)c1ncn2C[C@](C)(N(Cc3ccccc3C)C(=O)c12)[*:1]
COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1C)[C@@](C)(C(=O)NC1CCCCC1)C2 Cc1ccccc1[*:1] COC(=O)c1ncn2C[C@](C)(C(=O)NC3CCCCC3)N(C[*:1])C(=O)c12
COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1C)[C@@](C)(C(=O)NC1CCCCC1)C2 COC(=O)[*:1] Cc1ccccc1CN1C(=O)c2c(ncn2C[C@]1(C)C(=O)NC1CCCCC1)[*:1]
COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1C)[C@@](C)(C(=O)NC1CCCCC1)C2 C1CCC(CC1)[*:1] COC(=O)c1ncn2C[C@](C)(C(=O)N[*:1])N(Cc3ccccc3C)C(=O)c12
COC(=O)c1ncn2c1C(=O)N(Cc1ccccc1C)[C@@](C)(C(=O)NC1CCCCC1)C2 Cc1ccccc1C[*:1] COC(=O)c1ncn2C[C@](C)(C(=O)NC3CCCCC3)N(C(=O)c12)[*:1]
C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)Cc1c[nH]c2ccccc12)[*:1]
COc1ccc(-n2nc(C(=O)N[C@@H](C)CC[NH+](C)C)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)N[C@@H](C)CC[NH+](C)C
C[NH+]1CCC(C(=O)Nc2cccc(COCCc3ccccc3)c2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)C(=O)Nc1cccc(c1)COCC[*:1]
C[NH+]1CCC(C(=O)Nc2cccc(COCCc3ccccc3)c2)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCC(CC1)C(=O)Nc1cccc(c1)COC[*:1]
C[NH+]1CCC(C(=O)Nc2cccc(COCCc3ccccc3)c2)CC1 c1ccc(cc1)CC[*:1] C[NH+]1CCC(CC1)C(=O)Nc1cccc(c1)CO[*:1]
CCN(CC)C(=O)c1cc(-c2cccc(OC)c2)n2nc(-c3ccccc3)cc2n1 CCN(CC)C(=O)[*:1] COc1cccc(c1)-c1cc(nc2cc(nn12)-c1ccccc1)[*:1]
CCN(CC)C(=O)c1cc(-c2cccc(OC)c2)n2nc(-c3ccccc3)cc2n1 COc1cccc(c1)[*:1] CCN(CC)C(=O)c1cc(n2nc(cc2n1)-c1ccccc1)[*:1]
CCN(CC)C(=O)c1cc(-c2cccc(OC)c2)n2nc(-c3ccccc3)cc2n1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1cc(-c2cccc(c2)OC)n2nc(cc2n1)[*:1]
O=C(NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccco1 c1coc(c1)[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccc(Cl)cc1)[*:1]
O=C(NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccco1 Clc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)[*:1])c1ccco1
O=C(NCc1cccs1)c1cn(Cc2ccc(F)cc2)nn1 c1csc(c1)[*:1] O=C(NC[*:1])c1cn(Cc2ccc(F)cc2)nn1
O=C(NCc1cccs1)c1cn(Cc2ccc(F)cc2)nn1 c1csc(c1)C[*:1] O=C(N[*:1])c1cn(Cc2ccc(F)cc2)nn1
O=C(NCc1cccs1)c1cn(Cc2ccc(F)cc2)nn1 Fc1ccc(cc1)[*:1] O=C(NCc1cccs1)c1cn(C[*:1])nn1
O=C(COc1ccccc1)NCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] O=C(COc1ccccc1)NCc1nnc(s1)C(=O)N[*:1]
O=C(COc1ccccc1)NCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 c1ccc(cc1)OC[*:1] O=C(Nc1cccc(Cl)c1)c1nnc(CNC(=O)[*:1])s1
O=C(COc1ccccc1)NCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 c1ccc(cc1)O[*:1] O=C(C[*:1])NCc1nnc(s1)C(=O)Nc1cccc(Cl)c1
O=C(COc1ccccc1)NCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 c1ccc(cc1)[*:1] O=C(CO[*:1])NCc1nnc(s1)C(=O)Nc1cccc(Cl)c1
CCCC(=O)Nc1ccc(CNC(=O)c2ccc(-n3ccnc3)cc2)cc1 c1cn(cn1)[*:1] CCCC(=O)Nc1ccc(cc1)CNC(=O)c1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(CNC(=O)c2ccc(-n3ccnc3)cc2)cc1 CCC[*:1] O=C(NCc1ccc(cc1)NC(=O)[*:1])c1ccc(cc1)-n1ccnc1
CCCC(=O)Nc1ccc(CNC(=O)c2ccc(-n3ccnc3)cc2)cc1 CCCC(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(cc1)-n1ccnc1
Cc1cc([C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C(C)C)c(C)s1 CC(C)[*:1] Cc1cc(c(C)s1)[C@H]([NH2+]C[C@H]1CCN(C1)S(C)(=O)=O)[*:1]
Cc1cc([C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C(C)C)c(C)s1 Cc1cc(c(C)s1)[*:1] CC(C)[C@@H]([NH2+]C[C@H]1CCN(C1)S(C)(=O)=O)[*:1]
NC(=O)C[NH2+]C[C@H]1Cc2ccccc2S1 NC(=O)[*:1] c1ccc2S[C@@H](C[NH2+]C[*:1])Cc2c1
NC(=O)C[NH2+]C[C@H]1Cc2ccccc2S1 NC(=O)C[*:1] c1ccc2S[C@@H](C[NH2+][*:1])Cc2c1
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OC)cc1C COc1ccccc1[*:1] COc1ccc(cc1C)S(=O)(=O)N(C)CC(=O)N[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)[C@H]1C[C@@H]1[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1C[C@H]1c1cccc(Cl)c1
CN(CC(=O)N[C@@H](C#N)C(C)(C)C)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CC(=O)N[C@@H](C#N)C(C)(C)C)S(=O)(=O)[*:1]
CN(CC(=O)N[C@@H](C#N)C(C)(C)C)S(=O)(=O)c1ccc(F)cc1 CC(C)(C)[*:1] CN(CC(=O)N[C@@H](C#N)[*:1])S(=O)(=O)c1ccc(F)cc1
C[C@H](C(=O)Nc1ccccc1OC1CCCC1)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)Nc1ccccc1OC1CCCC1)[*:1]
C[C@H](C(=O)Nc1ccccc1OC1CCCC1)c1cccs1 C1CCC(C1)[*:1] C[C@H](C(=O)Nc1ccccc1O[*:1])c1cccs1
C[C@H](C(=O)Nc1ccccc1OC1CCCC1)c1cccs1 C1CCC(C1)O[*:1] C[C@H](C(=O)Nc1ccccc1[*:1])c1cccs1
C=C(C)[C@H]1Cc2c(ccc3c2O[C@H]2CCc4cc(OC)c(OC)cc4[C@]2(O)C3=O)O1 C=C(C)[*:1] COc1cc2CC[C@@H]3Oc4c(ccc5O[C@H](Cc54)[*:1])C(=O)[C@@]3(O)c2cc1OC
Cc1ccc(SCCC(=O)Nc2nc(CC(N)=O)cs2)cc1C NC(=O)[*:1] Cc1ccc(cc1C)SCCC(=O)Nc1nc(cs1)C[*:1]
Cc1ccc(SCCC(=O)Nc2nc(CC(N)=O)cs2)cc1C NC(=O)C[*:1] Cc1ccc(cc1C)SCCC(=O)Nc1nc(cs1)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3oc4ccccc4c3c2)ccc1Cl O=[N+]([O-])[*:1] O=S(=O)([N-]c1ccc2oc3ccccc3c2c1)c1ccc(Cl)c(c1)[*:1]
Cc1cccc(NC(=O)c2nc(C3CC3)n3ccccc23)c1O C1CC1[*:1] Cc1cccc(NC(=O)c2nc(n3ccccc23)[*:1])c1O
CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 O=C1CCC(=O)N1[*:1] CCOc1ccc2nc(sc2c1)N(Cc1cccnc1)C(=O)c1ccc(cc1)[*:1]
CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 CCO[*:1] O=C(c1ccc(cc1)N1C(=O)CCC1=O)N(Cc1cccnc1)c1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 c1cncc(c1)C[*:1] CCOc1ccc2nc(sc2c1)N(C(=O)c1ccc(cc1)N1C(=O)CCC1=O)[*:1]
CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 c1cncc(c1)[*:1] CCOc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1ccc(cc1)N1C(=O)CCC1=O
C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1cccc2ccccc12 O=C1CCCN1C[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1cccc2ccccc12
C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1cccc2ccccc12 O=C1CCCN1[*:1] C[C@@H](NC(=O)c1ccc(cc1)C[*:1])c1cccc2ccccc12
Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccncc3F)C2)n1 Fc1cnccc1[*:1] Cc1nc(C)n(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccncc3F)C2)n1 Cc1nc(C)n(n1)[*:1] O=C(c1ccncc1F)N1CCC[C@H](C1)[*:1]
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1cccc2cccnc12 c1ccc(cc1)[*:1] O=C1NC(=S)N(C(=O)[C@H]1/C=N/c1cccc2cccnc12)[*:1]
Cc1c(C(=O)N2CCCC2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 O=C(N1CCCC1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccccc3F)c21)[*:1]
Cc1c(C(=O)N2CCCC2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 Fc1ccccc1[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)N1CCCC1
CC[C@H](Cc1ccccc1)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 C1CC(CCO1)[*:1] CC[C@H](Cc1ccccc1)[NH2+]C1CCN(CC1)S(=O)(=O)[*:1]
CC[C@H](Cc1ccccc1)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 c1ccc(cc1)C[*:1] CC[C@H]([NH2+]C1CCN(CC1)S(=O)(=O)C1CCOCC1)[*:1]
CC[C@H](Cc1ccccc1)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])[NH2+]C1CCN(CC1)S(=O)(=O)C1CCOCC1
Cc1cc(S(=O)(=O)N2CCN(Cc3scnc3C)CC2)c(C)s1 Cc1ncsc1[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1cc(S(=O)(=O)N2CCN(Cc3scnc3C)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1ncsc1CN1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(S(=O)(=O)N2CCN(Cc3scnc3C)CC2)c(C)s1 Cc1ncsc1C[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)[*:1]
CCc1ccc(NC(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 COc1cccc(c1)[*:1] CCc1ccc(cc1)NC(=O)N[C@H]1CC(=O)N(C1)[*:1]
CCc1ccc(NC(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 CCc1ccc(cc1)[*:1] COc1cccc(c1)N1C[C@H](CC1=O)NC(=O)N[*:1]
CC(C)Cc1nc(NCc2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2n1 Clc1ccc(cc1)CN[*:1] CC(C)Cc1nc(c2nnn(Cc3ccccc3)c2n1)[*:1]
CC(C)Cc1nc(NCc2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2n1 CC(C)[*:1] Clc1ccc(cc1)CNc1nc(C[*:1])nc2c1nnn2Cc1ccccc1
CC(C)Cc1nc(NCc2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2n1 Clc1ccc(cc1)[*:1] CC(C)Cc1nc(NC[*:1])c2nnn(Cc3ccccc3)c2n1
CC(C)Cc1nc(NCc2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2n1 CC(C)C[*:1] Clc1ccc(cc1)CNc1nc(nc2c1nnn2Cc1ccccc1)[*:1]
CC(C)Cc1nc(NCc2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2n1 Clc1ccc(cc1)C[*:1] CC(C)Cc1nc(N[*:1])c2nnn(Cc3ccccc3)c2n1
CC(C)Cc1nc(NCc2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2n1 c1ccc(cc1)C[*:1] CC(C)Cc1nc(NCc2ccc(Cl)cc2)c2nnn(c2n1)[*:1]
CC(C)Cc1nc(NCc2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2n1 c1ccc(cc1)[*:1] CC(C)Cc1nc(NCc2ccc(Cl)cc2)c2nnn(C[*:1])c2n1
C=CCCCN(C)C(=O)c1ccc(N2CCOCC2)c(F)c1 C1CN(CCO1)[*:1] C=CCCCN(C)C(=O)c1ccc(c(F)c1)[*:1]
C=CCCCN(C)C(=O)c1ccc(N2CCOCC2)c(F)c1 C=CC[*:1] CN(CC[*:1])C(=O)c1ccc(c(F)c1)N1CCOCC1
C=CCCCN(C)C(=O)c1ccc(N2CCOCC2)c(F)c1 C=CCCC[*:1] CN(C(=O)c1ccc(c(F)c1)N1CCOCC1)[*:1]
C=CCCCN(C)C(=O)c1ccc(N2CCOCC2)c(F)c1 C=CCC[*:1] CN(C[*:1])C(=O)c1ccc(c(F)c1)N1CCOCC1
CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 CN(C)[*:1] O=S(=O)(NC[C@H](c1cccs1)[*:1])c1ccc(Cl)c(c1)C(F)(F)F
CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 FC(F)(F)[*:1] CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(c1)[*:1])c1cccs1
CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 c1csc(c1)[*:1] CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)[*:1]
C/C(=C/CC[NH2+]C1CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 C1CC1[*:1] C/C(=C/CC[NH2+][*:1])[C@@H]1CCC[C@@H](C1)S(C)(=O)=O
C/C(=C/CC[NH2+]C1CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C/C(=C/CC[NH2+]C1CC1)[C@@H]1CCC[C@H](C1)[*:1]
CCOc1ccc(NC(=O)c2cc(NC(C)=O)ccc2O)cc1 CC(=O)N[*:1] CCOc1ccc(cc1)NC(=O)c1cc(ccc1O)[*:1]
CCOc1ccc(NC(=O)c2cc(NC(C)=O)ccc2O)cc1 CCO[*:1] CC(=O)Nc1ccc(O)c(c1)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)[C@@H](C)N1CCN(C(C)=O)CC1 COC(=O)[*:1] CC(=O)N1CCN(CC1)[C@H](C)[*:1]
C[C@H]1CN(C(=O)CN2CCO[C@H](CC(=O)[O-])C2)C[C@@H](C)O1 O=C([O-])[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CN1CCO[C@@H](C1)C[*:1]
C[C@H]1CN(C(=O)CN2CCO[C@H](CC(=O)[O-])C2)C[C@@H](C)O1 O=C([O-])C[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CN1CCO[C@H](C1)[*:1]
CCC(=O)N1CCCN(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)CC1 CC(C)[*:1] CCC(=O)N1CCCN(CC1)C(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
CCC(=O)N1CCCN(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)CC1 c1ccc2[nH]c(nc2c1)[*:1] CCC(=O)N1CCCN(CC1)C(=O)N[C@@H](C(C)C)[*:1]
C[C@H]1CN(CC(=O)NC2CCN(C(=O)c3ccco3)CC2)C[C@H](C)O1 c1coc(c1)[*:1] C[C@H]1CN(CC(=O)NC2CCN(CC2)C(=O)[*:1])C[C@H](C)O1
CC(C)c1cc(C[NH+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)on1 CC(C)[*:1] CS(=O)(=O)NCc1cc2C[NH+](CCCn2n1)Cc1cc(no1)[*:1]
CC(C)c1cc(C[NH+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)on1 CS(=O)(=O)N[*:1] CC(C)c1cc(C[NH+]2CCCn3nc(cc3C2)C[*:1])on1
CC(C)c1cc(C[NH+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)on1 CS(=O)(=O)NC[*:1] CC(C)c1cc(C[NH+]2CCCn3nc(cc3C2)[*:1])on1
CC(C)c1cc(C[NH+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)on1 CC(C)c1cc(on1)[*:1] CS(=O)(=O)NCc1cc2C[NH+](CCCn2n1)C[*:1]
CCn1c(SCC(=O)NC(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O CC(C)NC(=O)[*:1] CCn1c(nc2sc(-c3ccccc3)c(C)c2c1=O)SC[*:1]
CCn1c(SCC(=O)NC(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O CC(C)NC(=O)C[*:1] CCn1c(nc2sc(-c3ccccc3)c(C)c2c1=O)S[*:1]
CCn1c(SCC(=O)NC(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O CC(C)NC(=O)CS[*:1] CCn1c(nc2sc(-c3ccccc3)c(C)c2c1=O)[*:1]
CCn1c(SCC(=O)NC(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O c1ccc(cc1)[*:1] CCn1c(nc2sc(c(C)c2c1=O)[*:1])SCC(=O)NC(C)C
CCn1c(SCC(=O)NC(C)C)nc2sc(-c3ccccc3)c(C)c2c1=O CC(C)[*:1] CCn1c(nc2sc(-c3ccccc3)c(C)c2c1=O)SCC(=O)N[*:1]
Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@H](CO)CC(C)(C)C)cc2)o1 Cc1nnc(o1)[*:1] CC(C)(C)C[C@@H](CO)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@H](CO)CC(C)(C)C)cc2)o1 CC(C)(C)C[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)C(=O)N[C@H](CO)[*:1]
Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@H](CO)CC(C)(C)C)cc2)o1 CC(C)(C)[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)C(=O)N[C@H](CO)C[*:1]
CCn1cc(CN2CCN(C(=O)c3cccc(O)c3)CC2)cn1 Oc1cccc(c1)[*:1] CCn1cc(cn1)CN1CCN(CC1)C(=O)[*:1]
CCn1cc(CN2CCN(C(=O)c3cccc(O)c3)CC2)cn1 CCn1cc(cn1)[*:1] O=C(c1cccc(O)c1)N1CCN(CC1)C[*:1]
COc1cc(C(=O)Nc2ccc(N3CCOCC3)cn2)cc(Cl)c1OCC(N)=O NC(=O)C[*:1] COc1cc(cc(Cl)c1O[*:1])C(=O)Nc1ccc(cn1)N1CCOCC1
COc1cc(C(=O)Nc2ccc(N3CCOCC3)cn2)cc(Cl)c1OCC(N)=O NC(=O)CO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)Nc1ccc(cn1)N1CCOCC1
COc1cc(C(=O)Nc2ccc(N3CCOCC3)cn2)cc(Cl)c1OCC(N)=O C1CN(CCO1)[*:1] COc1cc(cc(Cl)c1OCC(N)=O)C(=O)Nc1ccc(cn1)[*:1]
COc1cc(C(=O)Nc2ccc(N3CCOCC3)cn2)cc(Cl)c1OCC(N)=O NC(=O)[*:1] COc1cc(cc(Cl)c1OC[*:1])C(=O)Nc1ccc(cn1)N1CCOCC1
C[C@@H]([NH2+][C@H]1CSCCC1(C)C)c1nccs1 c1csc(n1)[*:1] C[C@@H]([NH2+][C@H]1CSCCC1(C)C)[*:1]
CN(C)C(=O)[C@@H]1CC[C@H](CNc2nc(-c3ccccc3)cs2)O1 CN(C)C(=O)[*:1] c1ccc(cc1)-c1csc(n1)NC[C@H]1CC[C@H](O1)[*:1]
CN(C)C(=O)[C@@H]1CC[C@H](CNc2nc(-c3ccccc3)cs2)O1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H]1CC[C@H](CNc2nc(cs2)[*:1])O1
CC(C)(C)c1n[nH]cc1CN1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 CC(C)(C)[*:1] O=C1NCCN(Cc2c[nH]nc2[*:1])[C@@H]1c1ccc(cc1)C(F)(F)F
CC(C)(C)c1n[nH]cc1CN1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)(C)c1n[nH]cc1CN1CCNC(=O)[C@H]1c1ccc(cc1)[*:1]
COC[C@@H](NC(=O)c1cc(F)ccc1Br)C(N)=O COC[*:1] NC(=O)[C@H](NC(=O)c1cc(F)ccc1Br)[*:1]
COC[C@@H](NC(=O)c1cc(F)ccc1Br)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)c1cc(F)ccc1Br)[*:1]
Cc1cc(C)c(O)c(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 Cc1cc(C)c(O)c(c1)[*:1] O=C(Nc1cccc(c1)C[NH+]1CCC(CO)CC1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)[NH2+][C@H](C)Cc2ccsc2)cc1 c1cc(cs1)C[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)[NH2+][C@H](C)[*:1]
COc1ccc([C@@H](O)[C@@H](C)[NH2+][C@H](C)Cc2ccsc2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)[NH2+][C@H](C)C[*:1]
Cc1ccc(CCC(=O)OC[C@@H]2CCCN2C(N)=O)o1 Cc1ccc(o1)[*:1] NC(=O)N1CCC[C@H]1COC(=O)CC[*:1]
COc1ccc(N2CCN(CC(=O)NCCC3=CCCCC3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])NCCC1=CCCCC1
Cc1ccc(NCC[NH2+]Cc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)NCC[NH2+]C[*:1]
Cc1nn2cccnc2c1C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)O[*:1] Cc1nn2cccnc2c1C(=O)N1CC[C@@H](C1)[*:1]
Cc1nn2cccnc2c1C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] Cc1nn2cccnc2c1C(=O)N1CC[C@H](C1)O[*:1]
CCc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cccc(F)c3)sc2c1 Fc1cccc(c1)[*:1] CCc1ccc2nc(sc2c1)N(CC[NH+](C)C)C(=O)[*:1]
CSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CSc1ncc(-c2ccccc2)n1-c1cccc(c1)[*:1]
CSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] CSc1ncc(n1-c1cccc(c1)C(F)(F)F)[*:1]
O=C([C@@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)c2ccccc2O1)N1CCOCC1 O=C(N1CCOCC1)[*:1] Clc1ccc(cc1)-c1noc(CN2C[C@H](Oc3ccccc32)[*:1])n1
O=C([C@@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)c2ccccc2O1)N1CCOCC1 Clc1ccc(cc1)[*:1] O=C([C@@H]1CN(Cc2nc(no2)[*:1])c2ccccc2O1)N1CCOCC1
Cc1c(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)on2)cnn1C Cc1c(cnn1C)[*:1] N#Cc1c(NC(=O)c2cc(no2)[*:1])sc2CCCCc21
CC(C)NC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)NC(C)C CC(C)[*:1] CC(C)NC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)N[*:1]
CC(C)NC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)NC(C)C CC(C)NC(=O)[*:1] CC(C)NC(=O)[C@@H]1CC(=O)C[C@H]1[*:1]
CCn1c(SCC(=O)Nc2cc(C)n[nH]2)nc2ccsc2c1=O Cc1cc([nH]n1)[*:1] CCn1c(nc2ccsc2c1=O)SCC(=O)N[*:1]
C[C@H](Oc1ccc(F)c(F)c1)/C([O-])=N/S(=O)(=O)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] C[C@H](Oc1ccc(F)c(F)c1)/C([O-])=N/S(=O)(=O)[*:1]
C[C@H](Oc1ccc(F)c(F)c1)/C([O-])=N/S(=O)(=O)c1cc(F)ccc1F Fc1ccc(cc1F)[*:1] C[C@H](O[*:1])/C([O-])=N/S(=O)(=O)c1cc(F)ccc1F
Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)CCC3CCCC3)CC1)OCC(=O)N2 C1CCC(C1)C[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)CCC3CCCC3)CC1)OCC(=O)N2 C1CCC(C1)[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N1CCN(CC1)C(=O)CC[*:1]
Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)CCC3CCCC3)CC1)OCC(=O)N2 C1CCC(C1)CC[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
NNC(=O)c1coc(CN2CCN3C(=O)NC[C@@H]3C2)c1 NNC(=O)[*:1] O=C1NC[C@@H]2CN(CCN12)Cc1cc(co1)[*:1]
Cc1nnc(NCCCNC(=O)c2cccc(F)c2)s1 Cc1nnc(s1)[*:1] O=C(NCCCN[*:1])c1cccc(F)c1
Cc1c(OCC(=O)NCc2ccc(Cl)cc2)c(=O)ccn1C Clc1ccc(cc1)[*:1] Cc1c(OCC(=O)NC[*:1])c(=O)ccn1C
CS[C@@H](C)CNC(=O)N1CCOC[C@H]1C1CC1 CS[C@@H](C)[*:1] O=C(NC[*:1])N1CCOC[C@H]1C1CC1
CS[C@@H](C)CNC(=O)N1CCOC[C@H]1C1CC1 CS[C@@H](C)C[*:1] O=C(N[*:1])N1CCOC[C@H]1C1CC1
CS[C@@H](C)CNC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] CS[C@@H](C)CNC(=O)N1CCOC[C@@H]1[*:1]
O=C(Nc1ccc(C(F)(F)F)nc1)N1CCc2cc(F)ccc2C1 FC(F)(F)[*:1] O=C(Nc1ccc(nc1)[*:1])N1CCc2cc(F)ccc2C1
Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 Cc1cc(C)cc(c1)C[*:1] O=C(Cc1ccc(F)cc1)NCCc1nnc2CCN(CCn12)[*:1]
Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(Cc1ccc(F)cc1)NCCc1nnc2CCN(CCn12)C[*:1]
Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 Fc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)CN1CCc2nnc(CCNC(=O)[*:1])n2CC1
Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)CN1CCc2nnc(CCNC(=O)C[*:1])n2CC1
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCO[C@@H]2CCCC[C@@H]21)O[*:1]
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 CC(C)(C)OC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCO[C@@H]2CCCC[C@@H]21
Nc1ccc(Cl)cc1SCC(=O)NC(=O)c1ccc[nH]1 c1c[nH]c(c1)[*:1] Nc1ccc(Cl)cc1SCC(=O)NC(=O)[*:1]
CC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 CC(=O)N[*:1] O=c1oc(nc2ccccc12)-c1cccc(c1)[*:1]
COc1ccc([C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)C2CC2)cc1 COc1ccc(cc1)[*:1] c1cncc(c1)-c1ccc(cc1)C[NH2+][C@H](C1CC1)[*:1]
COc1ccc([C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)C2CC2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)[C@H]([NH2+]Cc1ccc(cc1)[*:1])C1CC1
COc1ccc([C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H]([NH2+]Cc1ccc(cc1)-c1cccnc1)[*:1]
COC(=O)c1sc(SCC(=O)[O-])c(NC(=O)c2ccccc2)c1[O-] O=C([O-])[*:1] COC(=O)c1sc(SC[*:1])c(NC(=O)c2ccccc2)c1[O-]
COC(=O)c1sc(SCC(=O)[O-])c(NC(=O)c2ccccc2)c1[O-] c1ccc(cc1)[*:1] COC(=O)c1sc(SCC(=O)[O-])c(NC(=O)[*:1])c1[O-]
COC(=O)c1sc(SCC(=O)[O-])c(NC(=O)c2ccccc2)c1[O-] COC(=O)[*:1] O=C([O-])CSc1sc(c([O-])c1NC(=O)c1ccccc1)[*:1]
COC(=O)c1sc(SCC(=O)[O-])c(NC(=O)c2ccccc2)c1[O-] O=C([O-])C[*:1] COC(=O)c1sc(S[*:1])c(NC(=O)c2ccccc2)c1[O-]
CC[C@@H]1CCCCN1c1nc2c(C=O)c(C)nn2c2ccccc12 CC[C@@H]1CCCCN1[*:1] Cc1nn2c(nc(c3ccccc32)[*:1])c1C=O
CC(C)[NH2+]CCCCS(=O)(=O)N1CCN2CCC[C@@H]2C1 CC(C)[*:1] O=S(=O)(CCCC[NH2+][*:1])N1CCN2CCC[C@@H]2C1
CC[C@H](C)NC(=O)[C@H](C)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 CC[C@H](C)NC(=O)[C@H](C)[*:1] C[C@@H](c1nc(no1)-c1ccccc1)N1CCN(CC1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 CC[C@H](C)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)[C@@H](C)c1nc(no1)-c1ccccc1
CC[C@H](C)NC(=O)[C@H](C)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@H](C)N1CCN(CC1)[C@@H](C)c1nc(no1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 CC[C@H](C)NC(=O)[*:1] C[C@@H](c1nc(no1)-c1ccccc1)N1CCN(CC1)[C@@H](C)[*:1]
CCc1ccc(NC(=O)c2noc(C)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)NC(=O)c1noc(C)c1[*:1]
COc1ccccc1N1C[C@H](C(=O)NCc2cccs2)CC1=O c1csc(c1)[*:1] COc1ccccc1N1C[C@@H](CC1=O)C(=O)NC[*:1]
COc1ccccc1N1C[C@H](C(=O)NCc2cccs2)CC1=O c1csc(c1)C[*:1] COc1ccccc1N1C[C@@H](CC1=O)C(=O)N[*:1]
CSc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 O=C([O-])[*:1] CSc1cccc(c1)N1C[C@@H](CC1=O)[*:1]
COCCCn1c(N)c(S(=O)(=O)c2cc(C)ccc2C)c2nc3ccccc3nc21 COCC[*:1] Cc1ccc(C)c(c1)S(=O)(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
COCCCn1c(N)c(S(=O)(=O)c2cc(C)ccc2C)c2nc3ccccc3nc21 Cc1ccc(C)c(c1)[*:1] COCCCn1c(N)c(c2nc3ccccc3nc21)S(=O)(=O)[*:1]
COCCCn1c(N)c(S(=O)(=O)c2cc(C)ccc2C)c2nc3ccccc3nc21 COC[*:1] Cc1ccc(C)c(c1)S(=O)(=O)c1c(N)n(CC[*:1])c2nc3ccccc3nc12
COCCCn1c(N)c(S(=O)(=O)c2cc(C)ccc2C)c2nc3ccccc3nc21 COCCC[*:1] Cc1ccc(C)c(c1)S(=O)(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
C[NH2+][C@@H]([C@@H]1CCC[C@H](C)C1)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] C[NH2+][C@@H]([C@@H]1CCC[C@H](C)C1)C1(CCCC1)[*:1]
C[NH2+][C@@H]([C@@H]1CCC[C@H](C)C1)C1(N2CCOCC2)CCCC1 C[C@H]1CCC[C@H](C1)[*:1] C[NH2+][C@@H](C1(CCCC1)N1CCOCC1)[*:1]
CCOC[C@@H]1CCN(C(=O)Cn2cnc3c(C)cccc3c2=O)C1 CCOC[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)Cn2cnc3c(C)cccc3c2=O)C1 CCO[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N1CC[C@H](C1)C[*:1]
COc1ccc([C@@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)[*:1]
COc1ccc([C@@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)OCCN3C(=O)c4ccccc4C3=O)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(cc1)[*:1]
CC[NH2+]C[C@@H](O)c1cncn1C1CC1 C1CC1[*:1] CC[NH2+]C[C@@H](O)c1cncn1[*:1]
C[NH+](C)CCC1CCN(C(=O)OCc2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+](C)CCC1CCN(CC1)C(=O)OC[*:1]
C[NH+](C)CCC1CCN(C(=O)OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[NH+](C)CCC1CCN(CC1)C(=O)O[*:1]
COc1cccc(-n2c(C[NH+]3CCC(C)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)c1 COc1cccc(c1)[*:1] CC1CC[NH+](CC1)Cc1nc2ccc(cc2c(=O)n1[*:1])[N+](=O)[O-]
COc1cccc(-n2c(C[NH+]3CCC(C)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)c1 O=[N+]([O-])[*:1] COc1cccc(c1)-n1c(C[NH+]2CCC(C)CC2)nc2ccc(cc2c1=O)[*:1]
Cc1cc(C)c2nc3c(cc2c1)C[NH+](CCO)CCO3 OCC[*:1] Cc1cc(C)c2nc3OCC[NH+](Cc3cc2c1)[*:1]
Cc1ccc(C(=O)N[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)N[C@H](CC[NH+](C)C)[*:1]
Cc1ccc(C(=O)N[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)s1 Cc1ccc(s1)[*:1] C[NH+](C)CC[C@@H](NC(=O)[*:1])c1ccc(Cl)cc1
O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc2ccccc2c1 c1csc(c1)[*:1] O=c1ccc(nn1CCNS(=O)(=O)c1ccc2ccccc2c1)[*:1]
Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 C1C[C@H](CO1)[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@H](C[*:1])c1ccccc1)C(C)(C)C
Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@H](C[C@@H]1CCOC1)[*:1])C(C)(C)C
Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 CC(C)(C)[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)[*:1]
Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)CCc3cc(Cl)no3)C[C@H]21 Clc1cc(C[*:1])on1 Cc1nc2c(CC[C@@H]3CN(C[C@H]23)C(=O)C[*:1])c(=O)[nH]1
Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)CCc3cc(Cl)no3)C[C@H]21 Clc1cc(CC[*:1])on1 Cc1nc2c(CC[C@@H]3CN(C[C@H]23)C(=O)[*:1])c(=O)[nH]1
Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)CCc3cc(Cl)no3)C[C@H]21 Clc1cc(on1)[*:1] Cc1nc2c(CC[C@@H]3CN(C[C@H]23)C(=O)CC[*:1])c(=O)[nH]1
CC[C@H](C)CN(C)C(=O)Nc1ccccc1OC CC[C@H](C)[*:1] COc1ccccc1NC(=O)N(C)C[*:1]
CC[C@H](C)CN(C)C(=O)Nc1ccccc1OC CC[C@H](C)C[*:1] COc1ccccc1NC(=O)N(C)[*:1]
COc1cc(C(=O)Nc2ccc(N3CCCC3)nc2)ccc1C C1CCN(C1)[*:1] COc1cc(ccc1C)C(=O)Nc1ccc(nc1)[*:1]
CC[C@H](OC(=O)c1sccc1C)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@H](OC(=O)c1sccc1C)C(=O)N[*:1]
CC[C@H](OC(=O)c1sccc1C)C(=O)Nc1cc(C)on1 Cc1ccsc1[*:1] CC[C@H](OC(=O)[*:1])C(=O)Nc1cc(C)on1
c1ccc(-c2ccc(SC3CCCC3)nn2)cc1 C1CCC(C1)S[*:1] c1ccc(cc1)-c1ccc(nn1)[*:1]
c1ccc(-c2ccc(SC3CCCC3)nn2)cc1 c1ccc(cc1)[*:1] c1cc(nnc1SC1CCCC1)[*:1]
c1ccc(-c2ccc(SC3CCCC3)nn2)cc1 C1CCC(C1)[*:1] c1ccc(cc1)-c1ccc(nn1)S[*:1]
c1ccc(COc2cccc(C[NH2+]C3CCCC3)c2)cc1 c1ccc(cc1)[*:1] c1cc(cc(c1)OC[*:1])C[NH2+]C1CCCC1
c1ccc(COc2cccc(C[NH2+]C3CCCC3)c2)cc1 c1ccc(cc1)C[*:1] c1cc(cc(c1)O[*:1])C[NH2+]C1CCCC1
CCCNC(=O)c1cnn([C@@H](C)C(=O)[O-])c1 CCC[*:1] C[C@@H](C(=O)[O-])n1cc(cn1)C(=O)N[*:1]
CCCNC(=O)c1cnn([C@@H](C)C(=O)[O-])c1 O=C([O-])[*:1] CCCNC(=O)c1cnn(c1)[C@@H](C)[*:1]
CCc1cc(CNc2ccc(C(=O)Nc3nncs3)cn2)on1 c1nnc(s1)[*:1] CCc1cc(CNc2ccc(cn2)C(=O)N[*:1])on1
CCc1cc(CNc2ccc(C(=O)Nc3nncs3)cn2)on1 CCc1cc(on1)[*:1] O=C(Nc1nncs1)c1ccc(nc1)NC[*:1]
C[C@H](NCc1ccnc(O[C@@H]2CCOC2)c1)c1ccc([N+](=O)[O-])cc1 C1C[C@H](CO1)[*:1] C[C@H](NCc1ccnc(c1)O[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@H](NCc1ccnc(O[C@@H]2CCOC2)c1)c1ccc([N+](=O)[O-])cc1 C1C[C@H](CO1)O[*:1] C[C@H](NCc1ccnc(c1)[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@H](NCc1ccnc(O[C@@H]2CCOC2)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](NCc1ccnc(c1)O[C@@H]1CCOC1)c1ccc(cc1)[*:1]
O=C(OCC(F)(F)C(F)F)[C@@H]1CCCC[C@H]1C(=O)n1ccnc1 FC(F)C(F)(F)[*:1] O=C(OC[*:1])[C@@H]1CCCC[C@H]1C(=O)n1ccnc1
O=C(OCC(F)(F)C(F)F)[C@@H]1CCCC[C@H]1C(=O)n1ccnc1 O=C(n1ccnc1)[*:1] O=C(OCC(F)(F)C(F)F)[C@@H]1CCCC[C@@H]1[*:1]
O=C(OCC(F)(F)C(F)F)[C@@H]1CCCC[C@H]1C(=O)n1ccnc1 FC(F)C(F)(F)C[*:1] O=C(O[*:1])[C@@H]1CCCC[C@H]1C(=O)n1ccnc1
O=C(OCC(F)(F)C(F)F)[C@@H]1CCCC[C@H]1C(=O)n1ccnc1 FC(F)[*:1] O=C(OCC(F)(F)[*:1])[C@@H]1CCCC[C@H]1C(=O)n1ccnc1
CCOC(=O)[C@H](c1ccccc1)c1nc([C@H]2C[C@@H]2C)no1 c1ccc(cc1)[*:1] CCOC(=O)[C@H](c1nc(no1)[C@H]1C[C@@H]1C)[*:1]
CCOC(=O)[C@H](c1ccccc1)c1nc([C@H]2C[C@@H]2C)no1 CCOC(=O)[*:1] C[C@H]1C[C@@H]1c1noc(n1)[C@@H](c1ccccc1)[*:1]
CCOC(=O)[C@H](c1ccccc1)c1nc([C@H]2C[C@@H]2C)no1 C[C@H]1C[C@@H]1[*:1] CCOC(=O)[C@H](c1ccccc1)c1nc(no1)[*:1]
Cc1csc([C@@H]2CN(Cc3cnn4c3NCCC4)CCO2)n1 Cc1csc(n1)[*:1] c1nn2CCCNc2c1CN1CCO[C@@H](C1)[*:1]
C[C@@H](N[C@@H]1CCN(c2c(F)cccc2F)C1)c1nccs1 C[C@@H](c1nccs1)[*:1] Fc1cccc(F)c1N1CC[C@H](C1)N[*:1]
C[C@@H](N[C@@H]1CCN(c2c(F)cccc2F)C1)c1nccs1 c1csc(n1)[*:1] C[C@@H](N[C@@H]1CCN(C1)c1c(F)cccc1F)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12 COc1ccccc1[*:1] COc1ccc(cc1NC(=O)c1nn(c(=O)c2ccccc12)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12 COc1ccc(cc1[*:1])[N+](=O)[O-] COc1ccccc1-n1nc(C(=O)N[*:1])c2ccccc2c1=O
COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12)[*:1]
Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)N2CCCc3ccccc32)c1 Cc1cccc(c1)[*:1] Nc1cc(=O)nc(SCC(=O)N2CCCc3ccccc32)n1[*:1]
Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 Cc1c(Cl)cccc1[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 Cc1ccc(cc1)[*:1] Cc1c(Cl)cccc1N1C[C@@H](CC1=O)C(=O)N[*:1]
COC(=O)c1cc(C)sc1NC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C Cc1ccc(cc1)[*:1] COC(=O)c1cc(C)sc1NC(=O)Nc1c(C)nn(C[*:1])c1C
COC(=O)c1cc(C)sc1NC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C Cc1ccc(cc1)C[*:1] COC(=O)c1cc(C)sc1NC(=O)Nc1c(C)nn(c1C)[*:1]
COC(=O)c1cc(C)sc1NC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C COC(=O)[*:1] Cc1ccc(cc1)Cn1nc(C)c(NC(=O)Nc2sc(C)cc2[*:1])c1C
COCCn1cnn(CN(C)Cc2nccs2)c1=S c1csc(n1)[*:1] COCCn1cnn(CN(C)C[*:1])c1=S
COCCn1cnn(CN(C)Cc2nccs2)c1=S COC[*:1] CN(Cc1nccs1)Cn1ncn(C[*:1])c1=S
COCCn1cnn(CN(C)Cc2nccs2)c1=S COCC[*:1] CN(Cc1nccs1)Cn1ncn(c1=S)[*:1]
COCCn1cnn(CN(C)Cc2nccs2)c1=S c1csc(C[*:1])n1 COCCn1cnn(CN(C)[*:1])c1=S
COc1cc(C)c(N)cc1S(=O)(=O)NCCS(N)(=O)=O NS(=O)(=O)C[*:1] COc1cc(C)c(N)cc1S(=O)(=O)NC[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)NCCS(N)(=O)=O NS(=O)(=O)CC[*:1] COc1cc(C)c(N)cc1S(=O)(=O)N[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)NCCS(N)(=O)=O NS(=O)(=O)[*:1] COc1cc(C)c(N)cc1S(=O)(=O)NCC[*:1]
CNC(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO CNC(=O)N[*:1] OCCn1nc(cc1[*:1])-c1ccc(Br)cc1
CNC(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO OCC[*:1] CNC(=O)Nc1cc(nn1[*:1])-c1ccc(Br)cc1
CCOC(=O)c1c(C2CCC2)nn(-c2ccccn2)c1N c1ccc(nc1)[*:1] CCOC(=O)c1c(nn(c1N)[*:1])C1CCC1
CCOC(=O)c1c(C2CCC2)nn(-c2ccccn2)c1N CCOC(=O)[*:1] Nc1c(c(nn1-c1ccccn1)C1CCC1)[*:1]
CCOC(=O)c1c(C2CCC2)nn(-c2ccccn2)c1N C1CC(C1)[*:1] CCOC(=O)c1c(nn(-c2ccccn2)c1N)[*:1]
CN(CC(=O)N1CCOCC1)C(=O)c1ccccc1-c1ccccc1 O=C(N1CCOCC1)[*:1] CN(C[*:1])C(=O)c1ccccc1-c1ccccc1
CN(CC(=O)N1CCOCC1)C(=O)c1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)N1CCOCC1)C(=O)c1ccccc1[*:1]
C[NH+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[NH+](CC(=O)N1CC(=O)Nc2ccccc21)C[*:1]
C[NH+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(Br)cc1 Brc1ccc(cc1)C[*:1] C[NH+](CC(=O)N1CC(=O)Nc2ccccc21)[*:1]
CS(=O)(=O)OCc1cn(-c2ccc(Cl)cc2)nn1 CS(=O)(=O)O[*:1] Clc1ccc(cc1)-n1cc(C[*:1])nn1
CS(=O)(=O)OCc1cn(-c2ccc(Cl)cc2)nn1 CS(=O)(=O)OC[*:1] Clc1ccc(cc1)-n1cc(nn1)[*:1]
Cc1nc2c(s1)[C@@H](OC(=O)c1cccc(-n3cnnn3)c1)CCC2 c1nnnn1[*:1] Cc1nc2CCC[C@H](OC(=O)c3cccc(c3)[*:1])c2s1
Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1CC(F)(F)F FC(F)(F)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1C[*:1]
Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1CC(F)(F)F FC(F)(F)C[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3c(F)cccc3Cl)nnc12 Fc1cccc(Cl)c1C[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)SCC(=O)N(C)[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3c(F)cccc3Cl)nnc12 Fc1cccc(Cl)c1[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)SCC(=O)N(C)C[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3c(F)cccc3Cl)nnc12 C=CC[*:1] CN(Cc1c(F)cccc1Cl)C(=O)CSc1nnc2n(c(=O)c3ccccc3n12)[*:1]
CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(SC)cc2)C1=O Fc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(Cc2ccc(cc2)SC)C1=O)[*:1]
CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(SC)cc2)C1=O CSc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1
CCOc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)NC(=O)N1CC[C@@H]([C@@H]1C)[*:1]
CCOc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 CCO[*:1] C[C@H]1[C@@H](CCN1C(=O)Nc1ccc(cc1)[*:1])C(=O)[O-]
Cc1ccc(CCNC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NCC[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
Cc1ccc(CCNC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(C)c1 Cc1ccc(C[*:1])c(C)c1 O=C(NC[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
Cc1cccc([C@@H]2CCCN2C(=O)Nc2nc(C(C)C)nn2C)n1 Cc1cccc(n1)[*:1] CC(C)c1nc(NC(=O)N2CCC[C@H]2[*:1])n(C)n1
Cc1cccc([C@@H]2CCCN2C(=O)Nc2nc(C(C)C)nn2C)n1 CC(C)[*:1] Cc1cccc(n1)[C@@H]1CCCN1C(=O)Nc1nc(nn1C)[*:1]
CCCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccn2)n[nH]1 c1ccc(nc1)[*:1] CCCN(C[C@@H]1CCCO1)C(=O)c1cc(n[nH]1)[*:1]
CCCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccn2)n[nH]1 C1CO[C@@H](C1)[*:1] CCCN(C[*:1])C(=O)c1cc(n[nH]1)-c1ccccn1
CCCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccn2)n[nH]1 C1CO[C@@H](C1)C[*:1] CCCN(C(=O)c1cc(n[nH]1)-c1ccccn1)[*:1]
CCCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccn2)n[nH]1 CCC[*:1] O=C(c1cc(n[nH]1)-c1ccccn1)N(C[C@@H]1CCCO1)[*:1]
C#CCN1CCN(C(=O)NCc2cccc(Cn3ccnc3C)c2)CC1 Cc1nccn1[*:1] C#CCN1CCN(CC1)C(=O)NCc1cccc(c1)C[*:1]
C#CCN1CCN(C(=O)NCc2cccc(Cn3ccnc3C)c2)CC1 Cc1nccn1C[*:1] C#CCN1CCN(CC1)C(=O)NCc1cccc(c1)[*:1]
C#CCN1CCN(C(=O)NCc2cccc(Cn3ccnc3C)c2)CC1 C#CC[*:1] Cc1nccn1Cc1cccc(c1)CNC(=O)N1CCN(CC1)[*:1]
CC(C)(CNC(=O)N[C@H]1CCCC1(C)C)C(N)=O CC(C)(C(N)=O)[*:1] CC1(C)CCC[C@@H]1NC(=O)NC[*:1]
CC(C)(CNC(=O)N[C@H]1CCCC1(C)C)C(N)=O NC(=O)[*:1] CC1(C)CCC[C@@H]1NC(=O)NCC(C)(C)[*:1]
CN(CCc1ccccn1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)CO[*:1] CN(CCc1ccccn1)C(=O)Nc1cc(Cl)ccc1[*:1]
CN(CCc1ccccn1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 c1ccc(CC[*:1])nc1 CN(C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1)[*:1]
CN(CCc1ccccn1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1
CN(CCc1ccccn1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1
CC[C@H](C)[C@@H](C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CC[C@H](C)[C@@H](C)NC(=O)Cc1ccc(cc1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CC[C@H](C)[C@@H](C)NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 CC[C@H](C)[*:1] C[C@@H](NC(=O)Cc1ccc(cc1)NC(=O)C1CC1)[*:1]
O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(C[C@@]1(O)C(=O)N(C[*:1])c2ccc(Cl)cc21)c1ccc(F)cc1
O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccc(F)cc1 O=C(C[*:1])c1ccc(F)cc1 O=C1N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2[C@]1(O)[*:1]
O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2[C@@]1(O)CC(=O)[*:1]
O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccc(F)cc1 Clc1ccc(cc1)C[*:1] O=C(C[C@@]1(O)C(=O)N(c2ccc(Cl)cc21)[*:1])c1ccc(F)cc1
O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=C1N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2[C@@]1(O)C[*:1]
Cc1ccc(N2C(=O)C[C@@H](NCc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](NC[*:1])C1=O
Cc1ccc(N2C(=O)C[C@@H](NCc3ccccc3)C2=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](N[*:1])C1=O
Cc1ccc(N2C(=O)C[C@@H](NCc3ccccc3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](NCc2ccccc2)C(=O)N1[*:1]
COC(=O)[C@@H](C)S[C@@H](C)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] COC(=O)[C@@H](C)S[C@@H](C)C(=O)N[*:1]
COC(=O)[C@@H](C)S[C@@H](C)C(=O)NCC(F)(F)F FC(F)(F)[*:1] COC(=O)[C@@H](C)S[C@@H](C)C(=O)NC[*:1]
COC(=O)[C@@H](C)S[C@@H](C)C(=O)NCC(F)(F)F COC(=O)[*:1] C[C@H](S[C@H](C)[*:1])C(=O)NCC(F)(F)F
Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)Nc1ccc(F)cc1F)O2 Fc1ccc(c(F)c1)[*:1] Cc1ccc2O[C@](C)(C(=O)Nc2c1)C(=O)N[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N(C)C3CC[NH+](C)CC3)s2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nc(sc1C(=O)N(C)C1CC[NH+](C)CC1)[*:1]
CCC[NH2+][C@@H]1[C@@H](SC[C@H](O)CO)CCC1(C)C CCC[*:1] CC1(C)CC[C@H](SC[C@H](O)CO)[C@H]1[NH2+][*:1]
CCC[NH2+][C@@H]1[C@@H](SC[C@H](O)CO)CCC1(C)C OC[C@@H](O)[*:1] CCC[NH2+][C@@H]1[C@H](CCC1(C)C)SC[*:1]
CCC[NH2+][C@@H]1[C@@H](SC[C@H](O)CO)CCC1(C)C OC[C@@H](O)C[*:1] CCC[NH2+][C@@H]1[C@H](CCC1(C)C)S[*:1]
C=CC[NH2+]Cc1sccc1CC C=CC[*:1] CCc1ccsc1C[NH2+][*:1]
CN(CCCNS(C)(=O)=O)c1ccccc1 CS(=O)(=O)N[*:1] CN(CCC[*:1])c1ccccc1
C[C@H](Sc1nncn1C)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](Sc1nncn1C)C(=O)N(C)[C@H](C)C[*:1]
C[C@H](Sc1nncn1C)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 Cn1cnnc1[*:1] C[C@H](S[*:1])C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1
C[C@H](Sc1nncn1C)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 Cn1cnnc1S[*:1] C[C@H](C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1)[*:1]
O=C(N[C@H](c1ccccc1)c1ccccn1)c1csc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)c1csc(n1)[*:1]
O=C(N[C@H](c1ccccc1)c1ccccn1)c1csc(-c2ccc(F)cc2)n1 c1ccc(nc1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1csc(n1)-c1ccc(F)cc1
O=C(N[C@H](c1ccccc1)c1ccccn1)c1csc(-c2ccc(F)cc2)n1 c1ccc(cc1)[*:1] O=C(N[C@H](c1ccccn1)[*:1])c1csc(n1)-c1ccc(F)cc1
Cc1c(N)cccc1NC(=O)CCS[C@H](C)CCO C[C@H](CCO)[*:1] Cc1c(N)cccc1NC(=O)CCS[*:1]
Cc1c(N)cccc1NC(=O)CCS[C@H](C)CCO OCC[*:1] Cc1c(N)cccc1NC(=O)CCS[C@H](C)[*:1]
COC(=O)COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)c1 COC(=O)CO[*:1] C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(c2)[*:1])c2ccccc21
COC(=O)COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)c1 COC(=O)C[*:1] C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(c2)O[*:1])c2ccccc21
COC(=O)COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)c1 COC(=O)[*:1] C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(c2)OC[*:1])c2ccccc21
Cc1ccc(CNC(=O)CNc2cc(C)ccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NCC(=O)NC[*:1]
c1ccc([C@H]2OCC[C@H]2C[NH2+]Cc2cnc(-c3ccccn3)s2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)[C@H]1OCC[C@H]1C[NH2+]Cc1cnc(s1)[*:1]
c1ccc([C@H]2OCC[C@H]2C[NH2+]Cc2cnc(-c3ccccn3)s2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)-c1ncc(C[NH2+]C[C@@H]2CCO[C@@H]2[*:1])s1
CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[*:1]
O=C(OCC1CCN(CC(F)(F)F)CC1)C1CCN(C(=O)C2CC2)CC1 FC(F)(F)[*:1] O=C(OCC1CCN(CC1)C[*:1])C1CCN(CC1)C(=O)C1CC1
O=C(OCC1CCN(CC(F)(F)F)CC1)C1CCN(C(=O)C2CC2)CC1 FC(F)(F)C[*:1] O=C(OCC1CCN(CC1)[*:1])C1CCN(CC1)C(=O)C1CC1
O=C(OCC1CCN(CC(F)(F)F)CC1)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(OCC1CCN(CC1)CC(F)(F)F)C1CCN(CC1)C(=O)[*:1]
CC[C@@H](C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CC[C@@H](C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C1CCN(CC1)C(=O)O[*:1]
CC[C@@H](C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 Clc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)c1cnn(c1C1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(C)(C)C)n2-c2ccc(C)cc2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)-c1nnc(S[C@H](C)C(=O)N[*:1])n1-c1ccc(C)cc1
COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(C)(C)C)n2-c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nnc(S[C@H](C)C(=O)NC(C)(C)C)n1[*:1]
COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(C)(C)C)n2-c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])S[C@H](C)C(=O)NC(C)(C)C
COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(C)(C)C)n2-c2ccc(C)cc2)cc1 CC(C)(C)NC(=O)[*:1] COc1ccc(cc1)-c1nnc(S[C@H](C)[*:1])n1-c1ccc(C)cc1
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1C Fc1ccccc1[*:1] Cc1ccc(cc1C)S(=O)(=O)NC1CCN(CC1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(c1ccccc1F)N1CCC(CC1)NS(=O)(=O)[*:1]
CCCc1cc(=O)[nH]c(SCc2cccc(F)c2F)n1 CCC[*:1] O=c1cc(nc([nH]1)SCc1cccc(F)c1F)[*:1]
CS[C@H]1CC[C@H](NC(=O)N(Cc2ccc(F)cc2)CC2CC2)C1 C1CC1[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N(Cc1ccc(F)cc1)C[*:1]
CS[C@H]1CC[C@H](NC(=O)N(Cc2ccc(F)cc2)CC2CC2)C1 C1CC1C[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N(Cc1ccc(F)cc1)[*:1]
CS[C@H]1CC[C@H](NC(=O)N(Cc2ccc(F)cc2)CC2CC2)C1 Fc1ccc(cc1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N(CC1CC1)C[*:1]
CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1 CC(=O)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)Nc1cccc(c1)[*:1])Cc1cccc(Cl)c1
CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1 CCOC(=O)[*:1] CC(=O)c1cccc(c1)NC(=O)N1CCC[C@](Cc2cccc(Cl)c2)(C1)[*:1]
CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1 Clc1cccc(c1)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)Nc1cccc(c1)C(C)=O)C[*:1]
CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1 Clc1cccc(c1)C[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)Nc1cccc(c1)C(C)=O)[*:1]
CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1 CC(=O)c1cccc(c1)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)N[*:1])Cc1cccc(Cl)c1
Cc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)C[*:1] O=S(=O)(Nc1nc2ccccc2nc1N[*:1])c1ccc(F)cc1
Cc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)CNc1nc2ccccc2nc1NS(=O)(=O)[*:1]
Cc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Nc1nc2ccccc2nc1NC[*:1])c1ccc(F)cc1
Cc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)CN[*:1] O=S(=O)(Nc1nc2ccccc2nc1[*:1])c1ccc(F)cc1
N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1[*:1]
COc1ccc(/C=N/NC(=O)CNc2cccc(C)c2)cc1Br Cc1cccc(c1)[*:1] COc1ccc(/C=N/NC(=O)CN[*:1])cc1Br
COc1cc(NC(=O)CSc2nc(C)c(C)o2)cc(OC)c1OC Cc1nc(oc1C)S[*:1] COc1cc(cc(OC)c1OC)NC(=O)C[*:1]
COc1cc(NC(=O)CSc2nc(C)c(C)o2)cc(OC)c1OC Cc1nc(oc1C)[*:1] COc1cc(cc(OC)c1OC)NC(=O)CS[*:1]
CC[C@H]1CCCC[C@@H]1NC(=O)NCC[C@H](O)C(C)C CC(C)[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)NCC[C@H](O)[*:1]
CC[C@H]1CCCC[C@@H]1NC(=O)NCC[C@H](O)C(C)C CC(C)[C@@H](O)[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)NCC[*:1]
CC[C@H]1CCCC[C@@H]1NC(=O)NCC[C@H](O)C(C)C CC(C)[C@@H](O)C[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)NC[*:1]
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)N[*:1]
COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1OC Clc1ccc(cc1Cl)[*:1] COc1ccc(cc1OC)[C@@H]1C[C@@H](Nc2nc(N)nn21)[*:1]
C[C@@H](Sc1nc2ccc(/N=C\c3cc([N+](=O)[O-])ccc3[O-])cc2s1)C(=O)Nc1nccs1 O=[N+]([O-])[*:1] C[C@@H](Sc1nc2ccc(cc2s1)/N=C\c1cc(ccc1[O-])[*:1])C(=O)Nc1nccs1
C[C@@H](Sc1nc2ccc(/N=C\c3cc([N+](=O)[O-])ccc3[O-])cc2s1)C(=O)Nc1nccs1 c1csc(n1)[*:1] C[C@@H](Sc1nc2ccc(cc2s1)/N=C\c1cc(ccc1[O-])[N+](=O)[O-])C(=O)N[*:1]
C[C@@H](Sc1nc2ccc(/N=C\c3cc([N+](=O)[O-])ccc3[O-])cc2s1)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] C[C@@H](Sc1nc2ccc(cc2s1)/N=C\c1cc(ccc1[O-])[N+](=O)[O-])[*:1]
NC(=O)CCNC(=O)NCc1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] NC(=O)CCNC(=O)NCc1cccc(c1)C[*:1]
NC(=O)CCNC(=O)NCc1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] NC(=O)CCNC(=O)NCc1cccc(c1)[*:1]
NC(=O)CCNC(=O)NCc1cccc(Cn2cccn2)c1 NC(=O)C[*:1] O=C(NCc1cccc(c1)Cn1cccn1)NC[*:1]
NC(=O)CCNC(=O)NCc1cccc(Cn2cccn2)c1 NC(=O)CC[*:1] O=C(NCc1cccc(c1)Cn1cccn1)N[*:1]
NC(=O)CCNC(=O)NCc1cccc(Cn2cccn2)c1 NC(=O)[*:1] O=C(NCC[*:1])NCc1cccc(c1)Cn1cccn1
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc2ccccc12 Cc1cccc(C)c1[*:1] O=C(N/N=C/c1cccc2ccccc12)C(=O)N[*:1]
CCOc1cccc(C=O)c1OCc1cnn(C)c1 CCO[*:1] Cn1cc(cn1)COc1c(C=O)cccc1[*:1]
CCOc1cccc(C=O)c1OCc1cnn(C)c1 Cn1cc(cn1)[*:1] CCOc1cccc(C=O)c1OC[*:1]
CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccn(C)c(=O)c1 CN(C)C(=O)[*:1] Cn1ccc(cc1=O)C(=O)N1CCC[C@@H]1[*:1]
O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@@H]1CCCOC1 c1ccc(cc1)[*:1] O=C(Nc1nc(c(o1)-c1ccccc1)[*:1])[C@@H]1CCCOC1
O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@@H]1CCCOC1 c1ccc(cc1)[*:1] O=C(Nc1nc(-c2ccccc2)c(o1)[*:1])[C@@H]1CCCOC1
Cc1ccc(-n2nnc(C(=O)OCc3coc(-c4ccccc4)n3)c2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)OCc2coc(n2)[*:1])c1C
Cc1ccc(-n2nnc(C(=O)OCc3coc(-c4ccccc4)n3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)OCc1coc(n1)-c1ccccc1
COc1cccc(CC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(c1)N1CCCC1
COc1cccc(CC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c1 C1CCN(C1)[*:1] COc1cccc(c1)CC(=O)N[C@H](C)c1cccc(c1)[*:1]
O=C1N[C@H](C(=O)N2CCN(Cc3ccccn3)CC2)CS[C@H]1Cc1ccccc1F c1ccc(nc1)[*:1] O=C1N[C@@H](CS[C@H]1Cc1ccccc1F)C(=O)N1CCN(CC1)C[*:1]
O=C1N[C@H](C(=O)N2CCN(Cc3ccccn3)CC2)CS[C@H]1Cc1ccccc1F c1ccc(C[*:1])nc1 O=C1N[C@@H](CS[C@H]1Cc1ccccc1F)C(=O)N1CCN(CC1)[*:1]
O=C1N[C@H](C(=O)N2CCN(Cc3ccccn3)CC2)CS[C@H]1Cc1ccccc1F Fc1ccccc1[*:1] O=C1N[C@@H](CS[C@H]1C[*:1])C(=O)N1CCN(CC1)Cc1ccccn1
O=C1N[C@H](C(=O)N2CCN(Cc3ccccn3)CC2)CS[C@H]1Cc1ccccc1F Fc1ccccc1C[*:1] O=C1N[C@@H](CS[C@@H]1[*:1])C(=O)N1CCN(CC1)Cc1ccccn1
CCn1nc(C)c(CNc2cc(-c3nc(C)no3)ccn2)c1C Cc1noc(n1)[*:1] CCn1nc(C)c(CNc2cc(ccn2)[*:1])c1C
Cc1ccccc1CN(C)C(=O)c1cn2ccccc2n1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)c1cn2ccccc2n1
Cc1ccc(S(=O)(=O)NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC[NH+](CC1)C[*:1]
Cc1ccc(S(=O)(=O)NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC[NH+](CC1)[*:1]
Cc1ccc(S(=O)(=O)NC(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NS(=O)(=O)[*:1])N1CCC[NH+](CC1)Cc1ccc(F)cc1
O=C(NCCc1ccncc1)Nc1ccc(Oc2cccnc2)nc1 c1cc(ccn1)CC[*:1] O=C(Nc1ccc(nc1)Oc1cccnc1)N[*:1]
O=C(NCCc1ccncc1)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)O[*:1] O=C(NCCc1ccncc1)Nc1ccc(nc1)[*:1]
O=C(NCCc1ccncc1)Nc1ccc(Oc2cccnc2)nc1 c1cc(ccn1)C[*:1] O=C(NC[*:1])Nc1ccc(nc1)Oc1cccnc1
O=C(NCCc1ccncc1)Nc1ccc(Oc2cccnc2)nc1 c1cc(ccn1)[*:1] O=C(NCC[*:1])Nc1ccc(nc1)Oc1cccnc1
O=C(NCCc1ccncc1)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)[*:1] O=C(NCCc1ccncc1)Nc1ccc(nc1)O[*:1]
O=C(Cc1cn2ccsc2n1)NCC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cc1cn2ccsc2n1)NCC1(CC1)[*:1]
CC[C@@H](C)N1C(=O)[C@@](C)(C2CC2)NC(=O)C12CCCC2 C1CC1[*:1] CC[C@@H](C)N1C(=O)[C@@](C)(NC(=O)C12CCCC2)[*:1]
CC[C@@H](C)N1C(=O)[C@@](C)(C2CC2)NC(=O)C12CCCC2 CC[C@@H](C)[*:1] C[C@@]1(NC(=O)C2(CCCC2)N(C1=O)[*:1])C1CC1
CCc1ccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)cc1 CCc1ccc(cc1)[*:1] O=S1(=O)C=C[C@@H](C1)N(S(=O)(=O)c1ccccc1)[*:1]
CCc1ccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)N([C@H]1C=CS(=O)(=O)C1)S(=O)(=O)[*:1]
Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccc(cc1)S(C)(=O)=O
Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCCC1 CS(=O)(=O)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccc(cc1)[*:1]
CO[C@]1(C)C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1(C)C c1cc(cc[nH+]1)[*:1] CO[C@]1(C)C[C@@H]([NH2+]CC2CCN(CC2)[*:1])C1(C)C
CN(C)c1ncccc1N(C)C(=O)c1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] CN(C)c1ncccc1N(C)C(=O)c1ccc(cc1)[*:1]
CN(C)c1ncccc1N(C)C(=O)c1ccc(OC2CCCC2)cc1 CN(C)[*:1] CN(C(=O)c1ccc(cc1)OC1CCCC1)c1cccnc1[*:1]
CN(C)c1ncccc1N(C)C(=O)c1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] CN(C)c1ncccc1N(C)C(=O)c1ccc(cc1)O[*:1]
COCc1ccccc1NC[C@@H]1CSc2ccccc21 COC[*:1] c1ccc(c(c1)NC[C@@H]1CSc2ccccc21)[*:1]
Cc1ccc(C(=O)N2CCCC2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)[*:1]
C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1nc2ccccc2n1[*:1]
C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1nc2ccccc2n1C(F)F N#Cc1cccc(c1)[*:1] C[C@@H](CNS(=O)(=O)[*:1])c1nc2ccccc2n1C(F)F
CCOc1ccccc1C1=N/C(=C/c2c(C)nc3sc(C)cn23)C(=O)O1 CCO[*:1] Cc1cn2c(/C=C3/N=C(OC3=O)c3ccccc3[*:1])c(C)nc2s1
NC(=O)C1CC[NH+](CC(=O)Nc2ccc(N3CCCCC3)nc2)CC1 NC(=O)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1ccc(nc1)N1CCCCC1
NC(=O)C1CC[NH+](CC(=O)Nc2ccc(N3CCCCC3)nc2)CC1 C1CCN(CC1)[*:1] NC(=O)C1CC[NH+](CC1)CC(=O)Nc1ccc(nc1)[*:1]
COc1ccccc1NC(=O)[C@H](C#N)Cc1cc2cc(C)cc(C)c2nc1Cl COc1ccccc1[*:1] Cc1cc(C)c2nc(Cl)c(cc2c1)C[C@@H](C#N)C(=O)N[*:1]
Nn1c(N/N=C/c2cccc(Cl)c2)nnc1SCC(=O)Nc1nccs1 Clc1cccc(c1)[*:1] Nn1c(nnc1SCC(=O)Nc1nccs1)NN=C[*:1]
Nn1c(N/N=C/c2cccc(Cl)c2)nnc1SCC(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] Nn1c(nnc1SC[*:1])N/N=C/c1cccc(Cl)c1
Nn1c(N/N=C/c2cccc(Cl)c2)nnc1SCC(=O)Nc1nccs1 c1csc(n1)[*:1] Nn1c(nnc1SCC(=O)N[*:1])N/N=C/c1cccc(Cl)c1
O=C(NC1CCN(c2ccccc2)CC1)c1coc(Cn2cnc3ccccc32)n1 c1ccc2c(c1)ncn2C[*:1] O=C(NC1CCN(CC1)c1ccccc1)c1coc(n1)[*:1]
O=C(NC1CCN(c2ccccc2)CC1)c1coc(Cn2cnc3ccccc32)n1 c1ccc2c(c1)ncn2[*:1] O=C(NC1CCN(CC1)c1ccccc1)c1coc(C[*:1])n1
O=C(NC1CCN(c2ccccc2)CC1)c1coc(Cn2cnc3ccccc32)n1 c1ccc(cc1)[*:1] O=C(NC1CCN(CC1)[*:1])c1coc(Cn2cnc3ccccc32)n1
CCOc1ccc(NC(=O)Cn2cccc2)cc1 c1ccn(c1)[*:1] CCOc1ccc(cc1)NC(=O)C[*:1]
CCOc1ccc(NC(=O)Cn2cccc2)cc1 CCO[*:1] O=C(Cn1cccc1)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)Cn2cccc2)cc1 c1ccn(c1)C[*:1] CCOc1ccc(cc1)NC(=O)[*:1]
Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2C(F)(F)F)c(C)c1 FC(F)(F)[*:1] Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2[*:1])c(C)c1
CCCn1nc(C(=O)N2CCC[C@H](C(N)=O)C2)ccc1=O NC(=O)[*:1] CCCn1nc(ccc1=O)C(=O)N1CCC[C@H](C1)[*:1]
CCCn1nc(C(=O)N2CCC[C@H](C(N)=O)C2)ccc1=O CCC[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(=O)n(n1)[*:1]
Cc1ccc([C@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)o1 O=C([O-])[*:1] Cc1ccc(o1)[C@H](C)NC(=O)CC1(CCCC1)[*:1]
Cc1ccc([C@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)CC1(CCCC1)C(=O)[O-])[*:1]
CC(C)(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCCCC1 O=[N+]([O-])[*:1] CC(C)(CNC(=O)C1CCN(CC1)c1ccccc1[*:1])[NH+]1CCCCC1
CC(C)(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCCCC1 O=[N+]([O-])c1ccccc1[*:1] CC(C)(CNC(=O)C1CCN(CC1)[*:1])[NH+]1CCCCC1
O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 Clc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)[*:1])N1CC[C@]2(O)CCCC[C@H]2C1
CC[C@H](C)[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(=O)OC CC[C@H](C)[*:1] COC(=O)[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[*:1]
CC[C@H](C)[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(=O)OC COC(=O)[*:1] CC[C@H](C)[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[*:1]
CC(C)[C@H]1C=CCN1C(=O)Cn1c(=O)[nH]c2ccccc21 CC(C)[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)N1CC=C[C@@H]1[*:1]
Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](C)[*:1]
Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](C)c1ccncc1 Cc1noc(C)c1C[*:1] C[C@@H](NC(=O)c1ccccc1S[*:1])c1ccncc1
Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](C)c1ccncc1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)c1ccccc1SC[*:1])c1ccncc1
Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](C)c1ccncc1 C[C@H](c1ccncc1)[*:1] Cc1noc(C)c1CSc1ccccc1C(=O)N[*:1]
O=C(Cn1cc(NS(=O)(=O)c2ccccc2)cn1)NC1CCCC1 c1ccc(cc1)[*:1] O=C(Cn1cc(cn1)NS(=O)(=O)[*:1])NC1CCCC1
O=C(Cn1cc(NS(=O)(=O)c2ccccc2)cn1)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1cc(cn1)NS(=O)(=O)c1ccccc1)N[*:1]
O=C(Cn1cc(NS(=O)(=O)c2ccccc2)cn1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=S(=O)(Nc1cnn(c1)C[*:1])c1ccccc1
Cc1ncccc1NC(=O)N[C@@H](C)c1cccc([N-]S(C)(=O)=O)c1 Cc1ncccc1[*:1] C[C@H](NC(=O)N[*:1])c1cccc(c1)[N-]S(C)(=O)=O
CCCN(CCC)C(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12 CCC[*:1] CCCN(C(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12)[*:1]
C[C@@H]1CCCCN1C(=O)CN1CCO[C@H](c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] C[C@@H]1CCCCN1C(=O)CN1CCO[C@H](C1)[*:1]
CCn1ccc(NC(=O)[C@]2(C)Oc3ccc(C)cc3N(C)C2=O)n1 CCn1ccc(n1)[*:1] Cc1ccc2O[C@@](C)(C(=O)N[*:1])C(=O)N(C)c2c1
O=C(CCc1ccccc1F)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1ccccc1F)N[*:1]
O=C(N[C@H]1CCN(CC(F)(F)F)C1)N1CCc2sccc2C1 FC(F)(F)[*:1] O=C(N[C@H]1CCN(C1)C[*:1])N1CCc2sccc2C1
O=C(N[C@H]1CCN(CC(F)(F)F)C1)N1CCc2sccc2C1 FC(F)(F)C[*:1] O=C(N[C@H]1CCN(C1)[*:1])N1CCc2sccc2C1
O=C(Nc1ccccc1OC[C@H]1CCCO1)N1CCc2n[nH]cc2C1 C1CO[C@H](C1)[*:1] O=C(Nc1ccccc1OC[*:1])N1CCc2n[nH]cc2C1
O=C(Nc1ccccc1OC[C@H]1CCCO1)N1CCc2n[nH]cc2C1 C1CO[C@H](C1)CO[*:1] O=C(Nc1ccccc1[*:1])N1CCc2n[nH]cc2C1
O=C(Nc1ccccc1OC[C@H]1CCCO1)N1CCc2n[nH]cc2C1 C1CO[C@H](C1)C[*:1] O=C(Nc1ccccc1O[*:1])N1CCc2n[nH]cc2C1
CC[C@H](C)n1nccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 CC[C@H](C)n1nccc1[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)[N-]c1ccncc1
CC[C@H](C)n1nccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 CC[C@H](C)[*:1] O=C(Nc1ccnn1[*:1])c1ccc(cc1)S(=O)(=O)[N-]c1ccncc1
COC[C@H]1CCCN(C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)C1 COC[*:1] CO[C@@]1(C)C[C@@H](NC(=O)N2CCC[C@@H](C2)[*:1])C1(C)C
C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1cccc(NS(C)(=O)=O)c1 CS(=O)(=O)N[*:1] C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1cccc(c1)[*:1]
C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1cccc(NS(C)(=O)=O)c1 Fc1cccc(Cl)c1[*:1] C[C@H](NC(=O)C[*:1])c1cccc(c1)NS(C)(=O)=O
Cc1sc(NC(=O)c2ccccc2Br)nc1-c1ccccc1 Brc1ccccc1[*:1] Cc1sc(nc1-c1ccccc1)NC(=O)[*:1]
Cc1sc(NC(=O)c2ccccc2Br)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1ccccc1Br
CCOC(=O)[C@H]1CCCN(Cc2nc(N)nc(Nc3ccccc3C)n2)C1 Cc1ccccc1[*:1] CCOC(=O)[C@H]1CCCN(Cc2nc(N)nc(n2)N[*:1])C1
CCOC(=O)[C@H]1CCCN(Cc2nc(N)nc(Nc3ccccc3C)n2)C1 Cc1ccccc1N[*:1] CCOC(=O)[C@H]1CCCN(Cc2nc(N)nc(n2)[*:1])C1
CCOC(=O)[C@H]1CCCN(Cc2nc(N)nc(Nc3ccccc3C)n2)C1 CCOC(=O)[*:1] Cc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H](C2)[*:1])n1
CCN(C[C@@H]1CCOC1)c1nc(C(C)C)ns1 CC(C)[*:1] CCN(C[C@@H]1CCOC1)c1nc(ns1)[*:1]
CCN(C[C@@H]1CCOC1)c1nc(C(C)C)ns1 C1C[C@H](CO1)[*:1] CCN(C[*:1])c1nc(ns1)C(C)C
Cc1ccc(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3cc(F)c(F)cc3c2=O)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] O=c1c(cn(Cc2ccc(F)cc2)c2cc(F)c(F)cc12)[*:1]
Cc1ccc(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3cc(F)c(F)cc3c2=O)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)c1cn(c2cc(F)c(F)cc2c1=O)[*:1]
Cc1ccc(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3cc(F)c(F)cc3c2=O)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1cn(C[*:1])c2cc(F)c(F)cc2c1=O
Cc1ccc(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3cc(F)c(F)cc3c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c(cn(Cc2ccc(F)cc2)c2cc(F)c(F)cc12)S(=O)(=O)[*:1]
O=C(CSc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 O=C([O-])[*:1] O=C(CSc1ccccc1[*:1])c1ccc(Cl)cc1
COc1cccc(C(=O)N(CC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N(CC(=O)N1CCNCC1)C1CC[NH+](CC1)C[*:1]
COc1cccc(C(=O)N(CC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)c1 COc1cccc(c1)[*:1] O=C(CN(C(=O)[*:1])C1CC[NH+](CC1)Cc1ccccc1)N1CCNCC1
COc1cccc(C(=O)N(CC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)c1 O=C(N1CCNCC1)[*:1] COc1cccc(c1)C(=O)N(C[*:1])C1CC[NH+](CC1)Cc1ccccc1
COc1cccc(C(=O)N(CC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)C(=O)N(CC(=O)N1CCNCC1)C1CC[NH+](CC1)[*:1]
COc1cccc(C(=O)N(CC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)c1 O=C(C[*:1])N1CCNCC1 COc1cccc(c1)C(=O)N(C1CC[NH+](CC1)Cc1ccccc1)[*:1]
C[NH+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 c1ccc(cc1)[*:1] C[NH+]1CCc2onc(-c3ccc(cc3)[*:1])c2C1
C[C@@H](NC(=O)NCc1ccnc(OCc2ccccc2)c1)c1nncn1C c1ccc(cc1)C[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)O[*:1])c1nncn1C
C[C@@H](NC(=O)NCc1ccnc(OCc2ccccc2)c1)c1nncn1C c1ccc(cc1)CO[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)[*:1])c1nncn1C
C[C@@H](NC(=O)NCc1ccnc(OCc2ccccc2)c1)c1nncn1C Cn1cnnc1[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)OCc1ccccc1)[*:1]
C[C@@H](NC(=O)NCc1ccnc(OCc2ccccc2)c1)c1nncn1C c1ccc(cc1)[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)OC[*:1])c1nncn1C
C[C@@H](C1CC1)N(C)C(=O)c1sc2ccccc2c1Cl C[C@@H](C1CC1)[*:1] CN(C(=O)c1sc2ccccc2c1Cl)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1sc2ccccc2c1Cl C1CC1[*:1] C[C@@H](N(C)C(=O)c1sc2ccccc2c1Cl)[*:1]
Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] c1cc2OCOc2cc1[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)O[C@H](C)C(=O)N[*:1]
Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)O[C@H](C)C(=O)Nc1ccc2OCOc2c1
O=C(NC1CCC(O)CC1)c1ccc(COc2ccccc2)cc1 OC1CCC(CC1)[*:1] O=C(N[*:1])c1ccc(cc1)COc1ccccc1
O=C(NC1CCC(O)CC1)c1ccc(COc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(NC1CCC(O)CC1)c1ccc(cc1)C[*:1]
O=C(NC1CCC(O)CC1)c1ccc(COc2ccccc2)cc1 c1ccc(cc1)OC[*:1] O=C(NC1CCC(O)CC1)c1ccc(cc1)[*:1]
O=C(NC1CCC(O)CC1)c1ccc(COc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NC1CCC(O)CC1)c1ccc(cc1)CO[*:1]
O=S(=O)(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)[*:1]
O=S(=O)(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)cc1 Clc1ccc(cc1Cl)[*:1] O=S(=O)(Nc1ncn(C[*:1])n1)c1ccc(Cl)cc1
CCSc1ccccc1OCCn1cc[nH+]c1 CCS[*:1] c1ccc(c(c1)OCCn1cc[nH+]c1)[*:1]
CC(C)NC(=O)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 CC(C)NC(=O)[*:1] O=C([O-])C[C@H]1CN(CCO1)C(=O)NC[*:1]
CC(C)NC(=O)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])C[*:1] CC(C)NC(=O)CNC(=O)N1CCO[C@@H](C1)[*:1]
CC(C)NC(=O)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 CC(C)[*:1] O=C([O-])C[C@H]1CN(CCO1)C(=O)NCC(=O)N[*:1]
CC(C)NC(=O)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])[*:1] CC(C)NC(=O)CNC(=O)N1CCO[C@H](C1)C[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N CC[C@@H](C)C[C@@H](C)[*:1] Nc1c(cc(F)cc1[N+](=O)[O-])C(=O)N[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N O=[N+]([O-])[*:1] CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(F)cc(c1N)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N CC[C@@H](C)[*:1] C[C@H](C[*:1])NC(=O)c1cc(F)cc(c1N)[N+](=O)[O-]
CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N CC[C@@H](C)C[*:1] C[C@@H](NC(=O)c1cc(F)cc(c1N)[N+](=O)[O-])[*:1]
Cc1cc(F)cc(Nc2cnc(C(C)C)nc2C(=O)[O-])c1 CC(C)[*:1] Cc1cc(F)cc(c1)Nc1cnc(nc1C(=O)[O-])[*:1]
Cc1cc(F)cc(Nc2cnc(C(C)C)nc2C(=O)[O-])c1 O=C([O-])[*:1] Cc1cc(F)cc(c1)Nc1cnc(nc1[*:1])C(C)C
COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cc1csc(C)n1 Clc1ccc(cc1)[*:1] COC(=O)CN(C[*:1])C(=O)Cc1csc(C)n1
COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cc1csc(C)n1 Cc1nc(cs1)C[*:1] COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)[*:1]
COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cc1csc(C)n1 COC(=O)C[*:1] Cc1nc(cs1)CC(=O)N(Cc1ccc(Cl)cc1)[*:1]
COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cc1csc(C)n1 COC(=O)[*:1] Cc1nc(cs1)CC(=O)N(Cc1ccc(Cl)cc1)C[*:1]
COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cc1csc(C)n1 Cc1nc(cs1)[*:1] COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C[*:1]
COC(=O)C[C@](C)(C[NH3+])c1cc(F)c(C)cc1F COC(=O)[*:1] Cc1cc(F)c(cc1F)[C@@](C)(C[NH3+])C[*:1]
COC(=O)C[C@](C)(C[NH3+])c1cc(F)c(C)cc1F COC(=O)C[*:1] Cc1cc(F)c(cc1F)[C@](C)(C[NH3+])[*:1]
Cc1ccc(-c2nnc([C@H](C)N3CCc4nn(C)c(=O)cc4C3)o2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](c1nnc(o1)[*:1])N1CCc2nn(C)c(=O)cc2C1
Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]([O-])C(F)(F)F FC(F)(F)[*:1] Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]([O-])[*:1]
COCCN1C[C@H](C(=O)N(C)[C@@H]2CCc3ccccc32)CC1=O COCC[*:1] CN(C(=O)[C@@H]1CC(=O)N(C1)[*:1])[C@@H]1CCc2ccccc21
COCCN1C[C@H](C(=O)N(C)[C@@H]2CCc3ccccc32)CC1=O COC[*:1] CN(C(=O)[C@@H]1CC(=O)N(C1)C[*:1])[C@@H]1CCc2ccccc21
Cn1c(SCc2cc(=O)oc3cc(Br)ccc23)nnc1-c1ccco1 c1coc(c1)[*:1] Cn1c(nnc1[*:1])SCc1cc(=O)oc2cc(Br)ccc12
CCOC(=O)C1=C(CN(C)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(C)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)C1=C(CN(C)[*:1])NC(=O)N[C@@H]1c1ccc(C)cc1
CCOC(=O)C1=C(CN(C)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(C)cc1 CCOC(=O)[*:1] Cc1ccc(cc1)[C@H]1NC(=O)NC(CN(C)c2ccc(F)cc2)=C1[*:1]
CCOC(=O)C1=C(CN(C)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(C)cc1 CN(c1ccc(F)cc1)[*:1] CCOC(=O)C1=C(C[*:1])NC(=O)N[C@@H]1c1ccc(C)cc1
CCOC(=O)C1=C(CN(C)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCOC(=O)C1=C(CN(C)c2ccc(F)cc2)NC(=O)N[C@H]1[*:1]
CCCC[C@H](CC)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O CCC[*:1] CC[C@H](CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)C[*:1]
CCCC[C@H](CC)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O CCCC[*:1] CC[C@H](CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)[*:1]
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCCN(S(C)(=O)=O)CC1 CC(C)[*:1] Cc1ccc(cc1O[C@@H](C)C(=O)N1CCCN(CC1)S(C)(=O)=O)[*:1]
N#Cc1cccc(NC(=O)C(=O)NCc2cccnc2OCC(F)(F)F)c1 FC(F)(F)CO[*:1] N#Cc1cccc(c1)NC(=O)C(=O)NCc1cccnc1[*:1]
N#Cc1cccc(NC(=O)C(=O)NCc2cccnc2OCC(F)(F)F)c1 N#Cc1cccc(c1)[*:1] O=C(NCc1cccnc1OCC(F)(F)F)C(=O)N[*:1]
N#Cc1cccc(NC(=O)C(=O)NCc2cccnc2OCC(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1cccc(c1)NC(=O)C(=O)NCc1cccnc1OC[*:1]
N#Cc1cccc(NC(=O)C(=O)NCc2cccnc2OCC(F)(F)F)c1 FC(F)(F)C[*:1] N#Cc1cccc(c1)NC(=O)C(=O)NCc1cccnc1O[*:1]
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCCCC(C)C)C2=O CC(C)CCC[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@H](C)C(=O)N[*:1]
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCCCC(C)C)C2=O CC(C)C[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@H](C)C(=O)NCC[*:1]
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCCCC(C)C)C2=O CC(C)CC[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@H](C)C(=O)NC[*:1]
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCCCC(C)C)C2=O CC(C)[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@H](C)C(=O)NCCC[*:1]
C[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)C1 c1coc(c1)C[*:1] C[C@@H]1CCN(C1)C(=O)Nc1cccc(c1)S(=O)(=O)N[*:1]
C[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)C1 c1coc(c1)[*:1] C[C@@H]1CCN(C1)C(=O)Nc1cccc(c1)S(=O)(=O)NC[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])NN=C[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(Br)c1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])N/N=C/c1cccc(Br)c1
O=C(COC1CCCCC1)Nc1nc2c(s1)COCC2 C1CCC(CC1)[*:1] O=C(CO[*:1])Nc1nc2CCOCc2s1
Cc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)cn1 FC(F)(F)[*:1] Cc1cc(=O)n(cn1)CC(=O)Nc1cccc(c1)[*:1]
COCc1ccc(C(=O)N(C)C2c3ccccc3-c3ccccc32)o1 COCc1ccc(o1)[*:1] CN(C(=O)[*:1])C1c2ccccc2-c2ccccc21
COCc1ccc(C(=O)N(C)C2c3ccccc3-c3ccccc32)o1 COC[*:1] CN(C(=O)c1ccc(o1)[*:1])C1c2ccccc2-c2ccccc21
COCc1cccc(NC(=O)Nc2ccc(F)cc2OCC(F)F)c1 FC(F)CO[*:1] COCc1cccc(c1)NC(=O)Nc1ccc(F)cc1[*:1]
COCc1cccc(NC(=O)Nc2ccc(F)cc2OCC(F)F)c1 FC(F)C[*:1] COCc1cccc(c1)NC(=O)Nc1ccc(F)cc1O[*:1]
COCc1cccc(NC(=O)Nc2ccc(F)cc2OCC(F)F)c1 FC(F)[*:1] COCc1cccc(c1)NC(=O)Nc1ccc(F)cc1OC[*:1]
COCc1cccc(NC(=O)Nc2ccc(F)cc2OCC(F)F)c1 COC[*:1] O=C(Nc1cccc(c1)[*:1])Nc1ccc(F)cc1OCC(F)F
CC[C@H](NC(=O)NNC(=O)CSC)c1ccc(Cl)cc1 CSC[*:1] CC[C@H](NC(=O)NNC(=O)[*:1])c1ccc(Cl)cc1
[O-][N+]1=C2CNN(c3ccccc3)CC2=[N+]([O-])[C@@H]2CCCC[C@@H]21 c1ccc(cc1)[*:1] [O-][N+]1=C2CNN(CC2=[N+]([O-])[C@@H]2CCCC[C@@H]21)[*:1]
C[C@H]1OCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] C[C@H]1OCC[C@@H]1C(=O)OCc1ccc(cc1Br)[*:1]
CNC(=O)COc1ccccc1C[NH+]1CCC(C(=O)NC(C)C)CC1 CC(C)[*:1] CNC(=O)COc1ccccc1C[NH+]1CCC(CC1)C(=O)N[*:1]
CNC(=O)COc1ccccc1C[NH+]1CCC(C(=O)NC(C)C)CC1 CNC(=O)C[*:1] CC(C)NC(=O)C1CC[NH+](CC1)Cc1ccccc1O[*:1]
CNC(=O)COc1ccccc1C[NH+]1CCC(C(=O)NC(C)C)CC1 CNC(=O)[*:1] CC(C)NC(=O)C1CC[NH+](CC1)Cc1ccccc1OC[*:1]
CNC(=O)COc1ccccc1C[NH+]1CCC(C(=O)NC(C)C)CC1 CC(C)NC(=O)[*:1] CNC(=O)COc1ccccc1C[NH+]1CCC(CC1)[*:1]
CNC(=O)COc1ccccc1C[NH+]1CCC(C(=O)NC(C)C)CC1 CNC(=O)CO[*:1] CC(C)NC(=O)C1CC[NH+](CC1)Cc1ccccc1[*:1]
CN(C)c1cc(CNC(=O)[C@@H]2CCCO2)cc[nH+]1 C1CO[C@@H](C1)[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)[*:1]
CN(C)c1cc(CNC(=O)[C@@H]2CCCO2)cc[nH+]1 CN(C)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])[C@@H]1CCCO1
c1ccc2c(c1)CCN(c1ccc(C[NH2+]Cc3cccc4cn[nH]c34)cn1)C2 c1cc(c2[nH]ncc2c1)[*:1] c1ccc2CN(CCc2c1)c1ccc(cn1)C[NH2+]C[*:1]
COc1ccc2c(CC(=O)N(C)[C@H](C)c3nc4ccccc4s3)coc2c1 c1ccc2sc(nc2c1)[*:1] COc1ccc2c(coc2c1)CC(=O)N(C)[C@H](C)[*:1]
CNC(=O)c1ccccc1NCc1cc(Cl)c2c(c1)OCCCO2 CNC(=O)[*:1] Clc1cc(cc2OCCCOc12)CNc1ccccc1[*:1]
COCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(NC(C)=O)ccc21 COC[*:1] CC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)Cc1cccc3ccccc13)n2C[*:1]
COCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(NC(C)=O)ccc21 COCC[*:1] CC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)Cc1cccc3ccccc13)n2[*:1]
COCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(NC(C)=O)ccc21 c1ccc2c(cccc2c1)[*:1] COCCn1/c(=N/C(=O)C[*:1])sc2cc(ccc21)NC(C)=O
COCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(NC(C)=O)ccc21 CC(=O)N[*:1] COCCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(ccc21)[*:1]
CCOc1ccc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cc1 Cc1nc(cs1)[*:1] CCOc1ccc(cc1)C(=O)N1CCc2cc(ccc21)[*:1]
CCOc1ccc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cc1 CCO[*:1] Cc1nc(cs1)-c1ccc2c(c1)CCN2C(=O)c1ccc(cc1)[*:1]
C[C@@H](C(=O)[O-])S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 C[C@@H](C(=O)[O-])[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])S(=O)(=O)[*:1]
C[C@@H](C(=O)[O-])S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 O=C([O-])[*:1] C[C@@H](S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[*:1]
C[C@@H]1CCC[C@H](NC(=O)C/C(N)=N/O)C1 N/C(=N\O)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)C[*:1]
C[C@@H]1CCC[C@H](NC(=O)C/C(N)=N/O)C1 N/C(C[*:1])=N\O C[C@@H]1CCC[C@@H](C1)NC(=O)[*:1]
CCC1(CC)CCN(C(=O)C2(/C(N)=N/O)CCOCC2)C1 N/C(=N\O)[*:1] CCC1(CC)CCN(C1)C(=O)C1(CCOCC1)[*:1]
CONC(=O)Cn1ccc2ccc(Cl)cc21 CONC(=O)[*:1] Clc1ccc2ccn(C[*:1])c2c1
Cc1ccc(O[C@H](C)CNC(=O)CNC(=O)c2ccsc2)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)CNC(=O)[*:1]
Cc1ccc(O[C@H](C)CNC(=O)CNC(=O)c2ccsc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)CNC(=O)c1ccsc1)O[*:1]
C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C(N)=O)O2)c2ccsc2S1 NC(=O)[*:1] C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O2)[*:1])c2ccsc2S1
COc1ccccc1NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] COc1ccccc1NC(=O)N[*:1]
COc1ccc(N2C[C@H](C(=O)Nc3n[nH]c(-c4ccccc4OC)n3)CC2=O)cc1 COc1ccc(cc1)[*:1] COc1ccccc1-c1nc(n[nH]1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@H](C(=O)Nc3n[nH]c(-c4ccccc4OC)n3)CC2=O)cc1 COc1ccccc1[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1n[nH]c(n1)[*:1]
Cc1ccc(CC(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)ccc2Cl)cc1 Clc1ccc(Cl)c(c1)[*:1] Cc1ccc(cc1)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1ccc(CC(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)ccc2Cl)cc1 Cc1ccc(cc1)C[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl)[*:1]
Cc1ccc(CC(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)ccc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl
CC(=O)NNC(=O)Cn1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(=O)NNC(=O)Cn1nnc(n1)[*:1]
O=C([C@H](c1ccccc1)S(=O)(=O)c1ccccn1)N1CCCC1 c1ccc(nc1)[*:1] O=C([C@H](c1ccccc1)S(=O)(=O)[*:1])N1CCCC1
O=C([C@H](c1ccccc1)S(=O)(=O)c1ccccn1)N1CCCC1 c1ccc(cc1)[*:1] O=C([C@H](S(=O)(=O)c1ccccn1)[*:1])N1CCCC1
O=C([C@H](c1ccccc1)S(=O)(=O)c1ccccn1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(c1ccccn1)[C@@H](c1ccccc1)[*:1]
COC(=O)c1cccc(N2CCc3c(Br)cccc3C2)n1 COC(=O)[*:1] Brc1cccc2CN(CCc12)c1cccc(n1)[*:1]
N#Cc1ccc(NC[C@H](O)c2c(F)cccc2F)c(C(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1ccc(NC[C@H](O)c2c(F)cccc2F)c(c1)[*:1]
N#Cc1ccc(NC[C@H](O)c2c(F)cccc2F)c(C(F)(F)F)c1 Fc1cccc(F)c1[*:1] N#Cc1ccc(NC[C@H](O)[*:1])c(c1)C(F)(F)F
CCOc1cc(Br)c(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC Fc1ccc(cc1)C[*:1] CCOc1cc(Br)c(/C=C2\SC(=O)N(C2=O)[*:1])cc1OC
CCOc1cc(Br)c(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC CCO[*:1] COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1[*:1]
CCOc1cc(Br)c(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC Fc1ccc(cc1)[*:1] CCOc1cc(Br)c(/C=C2\SC(=O)N(C[*:1])C2=O)cc1OC
O=C(CCOc1ccccc1F)NCC(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCOc1ccccc1F)NCC(=O)N[*:1]
O=C(CCOc1ccccc1F)NCC(=O)Nc1cccc(F)c1 Fc1ccccc1[*:1] O=C(CCO[*:1])NCC(=O)Nc1cccc(F)c1
O=C(CCOc1ccccc1F)NCC(=O)Nc1cccc(F)c1 Fc1ccccc1O[*:1] O=C(CC[*:1])NCC(=O)Nc1cccc(F)c1
C#CCN(C(=O)N[C@@H](C)[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] C#CCN(C(=O)N[C@@H](C)[C@@H](C)[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(C(=O)N[C@@H](C)[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] C[C@H](NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1])[C@@H](C)c1ccccc1
C#CCN(C(=O)N[C@@H](C)[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(C(=O)N[C@@H](C)[C@@H](C)c1ccccc1)[*:1]
C#CCN(C(=O)N[C@@H](C)[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 C[C@@H](c1ccccc1)[*:1] C#CCN(C(=O)N[C@@H](C)[*:1])[C@@H]1CCS(=O)(=O)C1
CC[NH2+][C@H](c1ccccc1Cl)[C@@H]1CCO[C@]2(CCOC2)C1 Clc1ccccc1[*:1] CC[NH2+][C@H]([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
COCCN(Cc1ccccn1)C(=O)C1=NN(C)C(=O)CC1 c1ccc(nc1)[*:1] COCCN(C[*:1])C(=O)C1CCC(=O)N(C)N=1
COCCN(Cc1ccccn1)C(=O)C1=NN(C)C(=O)CC1 c1ccc(C[*:1])nc1 COCCN(C(=O)C1CCC(=O)N(C)N=1)[*:1]
COCCN(Cc1ccccn1)C(=O)C1=NN(C)C(=O)CC1 COCC[*:1] CN1N=C(CCC1=O)C(=O)N(Cc1ccccn1)[*:1]
COCCN(Cc1ccccn1)C(=O)C1=NN(C)C(=O)CC1 COC[*:1] CN1N=C(CCC1=O)C(=O)N(Cc1ccccn1)C[*:1]
CNS(=O)(=O)CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C FC(F)(F)[*:1] CNS(=O)(=O)CC(=O)N[C@@H](c1cccc(c1)[*:1])C(C)C
CNS(=O)(=O)CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C CNS(=O)(=O)[*:1] CC(C)[C@@H](NC(=O)C[*:1])c1cccc(c1)C(F)(F)F
CNS(=O)(=O)CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C CNS(=O)(=O)C[*:1] CC(C)[C@@H](NC(=O)[*:1])c1cccc(c1)C(F)(F)F
CNS(=O)(=O)CC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C CC(C)[*:1] CNS(=O)(=O)CC(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
Cc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)sc1Br CC(C)[*:1] Cc1cc(sc1Br)C(=O)NCC[NH+](C(C)C)[*:1]
C[C@H](O)c1ccn(Cc2ccc(F)cc2F)c1 C[C@H](O)[*:1] Fc1ccc(Cn2ccc(c2)[*:1])c(F)c1
CC(=O)N[C@H]1[N-]C(CSc2n[nH]c(=O)n2-c2ccccc2)=CS1 CC(=O)N[*:1] O=c1[nH]nc(SCC2=CS[C@H]([N-]2)[*:1])n1-c1ccccc1
CC(=O)N[C@H]1[N-]C(CSc2n[nH]c(=O)n2-c2ccccc2)=CS1 c1ccc(cc1)[*:1] CC(=O)N[C@H]1[N-]C(=CS1)CSc1n[nH]c(=O)n1[*:1]
CC[C@H](NC(=O)N1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)N1CCCC1(C)C)c1cccc(c1)[*:1]
CCn1nc(C(=O)Nc2cccc(Cl)c2C(N)=O)ccc1=O NC(=O)[*:1] CCn1nc(ccc1=O)C(=O)Nc1cccc(Cl)c1[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)CC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1C(=O)N[C@H](C)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)CC2=O)cc1 C[C@@H](NC(=O)[*:1])c1ccccc1 Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)CC2=O)cc1 C[C@H](c1ccccc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1
Cc1ncn(C[C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)c1C C[C@H](c1ccncc1)[*:1] Cc1ncn(C[C@H](C)[NH2+]C2CCN(CC2)[*:1])c1C
Cc1ncn(C[C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)c1C Cc1ncn(c1C)[*:1] C[C@@H](C[*:1])[NH2+]C1CCN(CC1)[C@H](C)c1ccncc1
Cc1ncn(C[C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)c1C Cc1ncn(C[*:1])c1C C[C@H]([NH2+]C1CCN(CC1)[C@H](C)c1ccncc1)[*:1]
Cc1ncn(C[C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)c1C c1cc(ccn1)[*:1] Cc1ncn(C[C@H](C)[NH2+]C2CCN(CC2)[C@H](C)[*:1])c1C
COC(=O)c1ccc(-c2csc(NC(=O)Nc3ccccc3OC)n2)cc1 COC(=O)[*:1] COc1ccccc1NC(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
COC(=O)c1ccc(-c2csc(NC(=O)Nc3ccccc3OC)n2)cc1 COc1ccccc1[*:1] COC(=O)c1ccc(cc1)-c1csc(n1)NC(=O)N[*:1]
Cn1ncc(Br)c1C(=O)NCCCn1cc(Br)cn1 Brc1cnn(c1)[*:1] Cn1ncc(Br)c1C(=O)NCCC[*:1]
Cc1noc(C)c1NC(=O)N1CC[NH+](CCn2ccc3nc(C(F)(F)F)ccc3c2=O)CC1 Cc1noc(C)c1[*:1] O=C(N[*:1])N1CC[NH+](CC1)CCn1ccc2nc(ccc2c1=O)C(F)(F)F
Cc1noc(C)c1NC(=O)N1CC[NH+](CCn2ccc3nc(C(F)(F)F)ccc3c2=O)CC1 FC(F)(F)[*:1] Cc1noc(C)c1NC(=O)N1CC[NH+](CC1)CCn1ccc2nc(ccc2c1=O)[*:1]
COC(=O)c1ccsc1NC(=O)Cc1cccc(Cl)c1 COC(=O)[*:1] O=C(Cc1cccc(Cl)c1)Nc1sccc1[*:1]
Cc1ccc(NC(=O)[C@@H]2CCO[C@H]2C)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H]1CCO[C@H]1C
Sc1nnc(COc2ccc(Cl)cc2Cl)n1-c1ccc2c(c1)OCCO2 Clc1ccc(c(Cl)c1)[*:1] Sc1nnc(CO[*:1])n1-c1ccc2OCCOc2c1
Cc1cc(N(C)C2CCC(C)CC2)cc(C(=O)[O-])c1N O=C([O-])[*:1] Cc1cc(cc(c1N)[*:1])N(C)C1CCC(C)CC1
CSc1ccccc1NC(=O)CN(C)C(=O)/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 CSc1ccccc1NC(=O)CN(C)C(=O)[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CSc1ccccc1NC(=O)CN(C)C(=O)C=C[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)/C=C/c1ccccc1 CSc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)/C=C/c1ccccc1
CCn1nc(C)c(C[NH+]2CCC(Oc3ccccc3)CC2)c1C c1ccc(cc1)O[*:1] CCn1nc(C)c(C[NH+]2CCC(CC2)[*:1])c1C
CCn1nc(C)c(C[NH+]2CCC(Oc3ccccc3)CC2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(C[NH+]2CCC(CC2)O[*:1])c1C
CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cc(C(=O)OC)ccc21 CC(C)S(=O)(=O)[*:1] CCn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2cc(ccc21)C(=O)OC
CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cc(C(=O)OC)ccc21 COC(=O)[*:1] CCn1/c(=N/C(=O)c2cccc(c2)S(=O)(=O)C(C)C)sc2cc(ccc21)[*:1]
CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cc(C(=O)OC)ccc21 CC(C)[*:1] CCn1/c(=N/C(=O)c2cccc(c2)S(=O)(=O)[*:1])sc2cc(ccc21)C(=O)OC
Cc1cc(S(=O)(=O)N(C)Cc2ncnn2C)sc1C Cn1ncnc1[*:1] Cc1cc(sc1C)S(=O)(=O)N(C)C[*:1]
O=C(Cc1ccn[nH]1)Nc1cc(C(=O)[O-])c(F)cc1F O=C([O-])[*:1] O=C(Cc1ccn[nH]1)Nc1cc(c(F)cc1F)[*:1]
O=C(Cc1ccn[nH]1)Nc1cc(C(=O)[O-])c(F)cc1F c1cc(C[*:1])[nH]n1 O=C([O-])c1cc(NC(=O)[*:1])c(F)cc1F
O=C(Cc1ccn[nH]1)Nc1cc(C(=O)[O-])c(F)cc1F c1cc([nH]n1)[*:1] O=C(C[*:1])Nc1cc(C(=O)[O-])c(F)cc1F
Cc1ccc(C[C@H](C)N(C)Cc2cnc(N3CCOCC3)nc2)cc1 Cc1ccc(cc1)C[*:1] C[C@H](N(C)Cc1cnc(nc1)N1CCOCC1)[*:1]
Cc1ccc(C[C@H](C)N(C)Cc2cnc(N3CCOCC3)nc2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)C[C@H](C)N(C)Cc1cnc(nc1)[*:1]
Cc1ccc(C[C@H](C)N(C)Cc2cnc(N3CCOCC3)nc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C[*:1])N(C)Cc1cnc(nc1)N1CCOCC1
O=C(Nc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)ccc1F)C1CC1 c1coc(c1)[*:1] O=C(Nc1cc(ccc1F)NC(=O)[C@H]1CC(=O)N(C1)C[*:1])C1CC1
O=C(Nc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)ccc1F)C1CC1 c1coc(c1)C[*:1] O=C(Nc1cc(ccc1F)NC(=O)[C@H]1CC(=O)N(C1)[*:1])C1CC1
O=C(Nc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)ccc1F)C1CC1 O=C(N[*:1])C1CC1 O=C(Nc1ccc(F)c(c1)[*:1])[C@H]1CC(=O)N(Cc2ccco2)C1
O=C(Nc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)ccc1F)C1CC1 C1CC1[*:1] O=C(Nc1ccc(F)c(c1)NC(=O)[*:1])[C@H]1CC(=O)N(Cc2ccco2)C1
Cc1cccc(S(=O)(=O)CC[C@@H]2CCCC2=O)c1 O=C1CCC[C@H]1[*:1] Cc1cccc(c1)S(=O)(=O)CC[*:1]
O=C(c1cccc2ccccc12)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 Clc1cccc(c1Cl)[*:1] O=C(c1cccc2ccccc12)N1CCN(CC1)S(=O)(=O)[*:1]
N#CCc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 N#CC[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCc2ccccc21
CC(C)(C)/[N+]([O-])=C/[C@]1([C@@]2(/C=[N+](\[O-])C(C)(C)C)Cc3ccccc3C2=O)Cc2ccccc2C1=O CC(C)(C)[*:1] CC(C)(C)/[N+]([O-])=C/[C@@]1(Cc2ccccc2C1=O)[C@@]1(/C=[N+](\[O-])[*:1])Cc2ccccc2C1=O
N#CCS(=O)(=O)c1ccc(Br)cc1F N#CC[*:1] O=S(=O)(c1ccc(Br)cc1F)[*:1]
Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] Nn1c(Cc2ccccc2)nnc1SCC(=O)N[*:1]
Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl c1ccc(cc1)[*:1] Nn1c(C[*:1])nnc1SCC(=O)Nc1c(Cl)cccc1Cl
Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl c1ccc(cc1)C[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1c(Cl)cccc1Cl
C[C@@](O)(CNC(=O)Cc1ccc(F)cc1F)C(=O)[O-] O=C([O-])[*:1] C[C@@](O)(CNC(=O)Cc1ccc(F)cc1F)[*:1]
Cc1ncsc1C(=O)Oc1ccc(C(=O)OC(C)C)cc1 CC(C)OC(=O)[*:1] Cc1ncsc1C(=O)Oc1ccc(cc1)[*:1]
Cc1ncsc1C(=O)Oc1ccc(C(=O)OC(C)C)cc1 CC(C)[*:1] Cc1ncsc1C(=O)Oc1ccc(cc1)C(=O)O[*:1]
Cc1ncsc1C(=O)Oc1ccc(C(=O)OC(C)C)cc1 Cc1ncsc1[*:1] CC(C)OC(=O)c1ccc(cc1)OC(=O)[*:1]
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cc(ccc1=O)S(=O)(=O)N1CCCC1)Nc1ccccc1C[*:1]
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cn1cc(ccc1=O)S(=O)(=O)N1CCCC1)Nc1ccccc1[*:1]
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccccc1Cc1ccccc1 O=S(=O)(N1CCCC1)[*:1] O=C(Cn1cc(ccc1=O)[*:1])Nc1ccccc1Cc1ccccc1
CC(C)CCc1cc(=O)n([C@H]2CCS(=O)(=O)C2)[nH]1 CC(C)[*:1] O=c1cc(CC[*:1])[nH]n1[C@H]1CCS(=O)(=O)C1
CC(C)CCc1cc(=O)n([C@H]2CCS(=O)(=O)C2)[nH]1 CC(C)CC[*:1] O=c1cc([nH]n1[C@H]1CCS(=O)(=O)C1)[*:1]
CC(C)CCc1cc(=O)n([C@H]2CCS(=O)(=O)C2)[nH]1 CC(C)C[*:1] O=c1cc(C[*:1])[nH]n1[C@H]1CCS(=O)(=O)C1
Cc1cc(C)cc(OCCNC(=O)COc2ccc3c(c2)OCO3)c1 Cc1cc(C)cc(c1)[*:1] O=C(COc1ccc2OCOc2c1)NCCO[*:1]
Cc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)NC(=O)/C=C/c1ccccc1[*:1]
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC(C)(C)C)C(=O)C[C@@H](C)S3)CC1 CC(C)(C)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2S[C@H](C)CC(=O)N(CC(=O)N[*:1])c2c1
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC(C)(C)C)C(=O)C[C@@H](C)S3)CC1 CC(C)(C)NC(=O)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2S[C@H](C)CC(=O)N(C[*:1])c2c1
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC(C)(C)C)C(=O)C[C@@H](C)S3)CC1 CC1CCN(CC1)S(=O)(=O)[*:1] C[C@@H]1CC(=O)N(CC(=O)NC(C)(C)C)c2cc(ccc2S1)[*:1]
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC(C)(C)C)C(=O)C[C@@H](C)S3)CC1 CC(C)(C)NC(=O)C[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2S[C@H](C)CC(=O)N(c2c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCc3c2cnn3CCO)o1 Cc1ccc(o1)[C@@H](C)[*:1] O=C(N[C@@H]1CCCc2c1cnn2CCO)N[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCc3c2cnn3CCO)o1 OCC[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N[C@@H]1CCCc2c1cnn2[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCc3c2cnn3CCO)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)N[C@@H]1CCCc2c1cnn2CCO)[*:1]
CS(=O)(=O)c1cccc(Oc2nc3ccc(N)cc3[nH]2)c1 CS(=O)(=O)[*:1] Nc1ccc2nc([nH]c2c1)Oc1cccc(c1)[*:1]
Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H]1CCC(=O)O1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCC(=O)O1)OC[*:1]
Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H]1CCC(=O)O1 c1ccc(cc1)C[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCC(=O)O1)O[*:1]
Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H]1CCC(=O)O1 c1ccc(cc1)CO[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CCC(=O)O1)[*:1]
O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C(=O)c2ccncc2)C1 c1c[nH]c(c1)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)C(=O)c1ccncc1
O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C(=O)c2ccncc2)C1 c1c[nH]c(c1)C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1ccncc1
O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C(=O)c2ccncc2)C1 c1c[nH]c(c1)CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccncc1
O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C(=O)c2ccncc2)C1 c1cc(ccn1)[*:1] O=C(NCCc1ccc[nH]1)[C@H]1CCCN(C1)C(=O)[*:1]
COC(=O)[C@@H](C)Nc1ncnc2onc(C)c12 COC(=O)[*:1] Cc1noc2ncnc(N[C@H](C)[*:1])c12
Cc1nnc(SCCCn2cc([C@H]3CCOC3)nn2)s1 C1C[C@@H](CO1)[*:1] Cc1nnc(SCCCn2cc(nn2)[*:1])s1
Cc1nnc(SCCCn2cc([C@H]3CCOC3)nn2)s1 Cc1nnc(s1)[*:1] c1c(nnn1CCCS[*:1])[C@H]1CCOC1
COc1ccc(CC[C@H](C)NC(=O)c2ncccc2C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CC[C@H](C)NC(=O)c1ncccc1[*:1]
COc1ccc(CC[C@H](C)NC(=O)c2ncccc2C(F)(F)F)cc1 COc1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)c1ncccc1C(F)(F)F
Cc1noc(C)c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1 c1cc(ccn1)[*:1] Cc1noc(C)c1C(=O)N1CCC[C@H]1c1nc(ncc1[*:1])N(C)C
Cc1noc(C)c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1 Cc1noc(C)c1[*:1] CN(C)c1ncc(-c2ccncc2)c(n1)[C@@H]1CCCN1C(=O)[*:1]
Cc1noc(C)c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1 CN(C)[*:1] Cc1noc(C)c1C(=O)N1CCC[C@H]1c1nc(ncc1-c1ccncc1)[*:1]
CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)c1c(F)cccc1Cl CC(C)[*:1] C[C@@H](NC(=O)CCn1cc[nH+]c1[*:1])c1c(F)cccc1Cl
CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 CSc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] CSc1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N3CCN(CC3)S(=O)(=O)[*:1])c12)C1CC1
Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)c(C)s1 C1CC1[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(nc2c1c(C)nn2C)[*:1]
COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4ccc(C)cc4)no3)CC2)cc1 COc1ccc(cc1)CNC(=O)[*:1] Cc1ccc(cc1)-c1noc(n1)-c1cccnc1N1CCC(CC1)[*:1]
COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4ccc(C)cc4)no3)CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(n1)-c1cccnc1N1CCC(CC1)C(=O)NC[*:1]
COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4ccc(C)cc4)no3)CC2)cc1 Cc1ccc(cc1)-c1noc(n1)[*:1] COc1ccc(cc1)CNC(=O)C1CCN(CC1)c1ncccc1[*:1]
COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4ccc(C)cc4)no3)CC2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1noc(n1)-c1cccnc1N1CCC(CC1)C(=O)N[*:1]
COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4ccc(C)cc4)no3)CC2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)C1CCN(CC1)c1ncccc1-c1nc(no1)[*:1]
C[C@]1(c2ccccc2)CCCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 c1ccc(cc1)[*:1] C[C@@]1(CCCN(C1)C(=O)C(=O)Nc1cccc(C#N)c1)[*:1]
C[C@]1(c2ccccc2)CCCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 N#Cc1cccc(c1)[*:1] C[C@@]1(CCCN(C1)C(=O)C(=O)N[*:1])c1ccccc1
CCOC(=O)[C@](N)(CC)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@](N)(CC)[*:1]
N#CCc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2)cc1 N#CC[*:1] N#Cc1ccc(cc1)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
N#CCc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] N#CCc1ccc(cc1)NC(=O)C(=O)NC[*:1]
NC(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(N(Cc1ccccc1)C[C@@H](O)c1ccco1)[*:1]
NC(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 NC(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccccc1)C[C@@H](O)c1ccco1
NC(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 c1coc(c1)[*:1] NC(=O)c1ccc(cc1)C(=O)N(Cc1ccccc1)C[C@@H](O)[*:1]
NC(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 c1ccc(cc1)C[*:1] NC(=O)c1ccc(cc1)C(=O)N(C[C@@H](O)c1ccco1)[*:1]
NC(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)C(=O)N(C[C@@H](O)c1ccco1)C[*:1]
O=C(N[C@@H](COc1ccccc1F)c1ccccc1)[C@H]1CCCS1 Fc1ccccc1[*:1] O=C(N[C@@H](CO[*:1])c1ccccc1)[C@H]1CCCS1
O=C(N[C@@H](COc1ccccc1F)c1ccccc1)[C@H]1CCCS1 Fc1ccccc1O[*:1] O=C(N[C@@H](C[*:1])c1ccccc1)[C@H]1CCCS1
O=C(N[C@@H](COc1ccccc1F)c1ccccc1)[C@H]1CCCS1 c1ccc(cc1)[*:1] O=C(N[C@@H](COc1ccccc1F)[*:1])[C@H]1CCCS1
CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)NC)c2)cn1 CCn1cc(cn1)[*:1] CNC(=O)c1cc(ccc1F)[N-]S(=O)(=O)[*:1]
CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)NC)c2)cn1 CNC(=O)[*:1] CCn1cc(cn1)S(=O)(=O)[N-]c1ccc(F)c(c1)[*:1]
N#C[C@H]1C(=O)NC(=S)[C@@H](C(N)=O)C12CCCCC2 NC(=O)[*:1] N#C[C@H]1C(=O)NC(=S)[C@@H](C12CCCCC2)[*:1]
Cc1cc(NCC2(C(N)=O)CCOCC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])NCC1(CCOCC1)C(N)=O
Cc1cc(NCC2(C(N)=O)CCOCC2)ccc1[N+](=O)[O-] NC(=O)[*:1] Cc1cc(ccc1[N+](=O)[O-])NCC1(CCOCC1)[*:1]
COc1ccc([C@H]2CCc3nc(C(=O)N4CCN(c5ccccc5F)CC4)cn3C2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(c1cn2C[C@H](CCc2n1)[*:1])N1CCN(CC1)c1ccccc1F
COc1ccc([C@H]2CCc3nc(C(=O)N4CCN(c5ccccc5F)CC4)cn3C2)c(OC)c1 Fc1ccccc1[*:1] COc1ccc(c(c1)OC)[C@H]1CCc2nc(cn2C1)C(=O)N1CCN(CC1)[*:1]
COCCCCOc1c(C)nn(C)c1C COCCC[*:1] Cc1nn(C)c(C)c1OC[*:1]
COCCCCOc1c(C)nn(C)c1C COCC[*:1] Cc1nn(C)c(C)c1OCC[*:1]
COCCCCOc1c(C)nn(C)c1C COC[*:1] Cc1nn(C)c(C)c1OCCC[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)Nc2cccc(-n3nnnc3C)c2)CC1=O Cc1nnnn1[*:1] CCC[C@H](C)N1C[C@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)Nc2cccc(-n3nnnc3C)c2)CC1=O CCC[C@H](C)[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)Nc2cccc(-n3nnnc3C)c2)CC1=O CCC[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)[C@H]1CC(=O)N(C1)[C@@H](C)[*:1]
O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)NCC(F)(F)F FC(F)(F)[*:1] O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)NC[*:1]
O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)N[*:1]
O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)NCC(F)(F)F O=C([O-])[*:1] O=C(NCC(F)(F)F)N1Cc2[nH+]c[nH]c2C[C@H]1[*:1]
COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)cc1Cn1cccn1 C1CC(C1)[*:1] COc1ccc(cc1Cn1cccn1)[C@@H](C)[NH2+][C@@H](C)[*:1]
COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)cc1Cn1cccn1 c1cnn(c1)[*:1] COc1ccc(cc1C[*:1])[C@@H](C)[NH2+][C@@H](C)C1CCC1
COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)cc1Cn1cccn1 c1cnn(c1)C[*:1] COc1ccc(cc1[*:1])[C@@H](C)[NH2+][C@@H](C)C1CCC1
N#C[C@@H](C(=O)NC1CCCCC1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 O=C(NC1CCCCC1)[*:1] N#C[C@@H](C(=O)C1CCN(CC1)c1nc2ccccc2o1)[*:1]
N#C[C@@H](C(=O)NC1CCCCC1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 C1CCC(CC1)[*:1] N#C[C@@H](C(=O)N[*:1])C(=O)C1CCN(CC1)c1nc2ccccc2o1
N#C[C@@H](C(=O)NC1CCCCC1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 c1ccc2oc(nc2c1)[*:1] N#C[C@@H](C(=O)NC1CCCCC1)C(=O)C1CCN(CC1)[*:1]
O=S(=O)(CCC1CC1)N1CCCc2ccccc2C1 C1CC1C[*:1] O=S(=O)(C[*:1])N1CCCc2ccccc2C1
O=S(=O)(CCC1CC1)N1CCCc2ccccc2C1 C1CC1[*:1] O=S(=O)(CC[*:1])N1CCCc2ccccc2C1
O=S(=O)(CCC1CC1)N1CCCc2ccccc2C1 C1CC1CC[*:1] O=S(=O)(N1CCCc2ccccc2C1)[*:1]
CCOc1ncnc(N(CCO)Cc2ccccc2)c1N OCC[*:1] CCOc1ncnc(c1N)N(Cc1ccccc1)[*:1]
CCOc1ncnc(N(CCO)Cc2ccccc2)c1N c1ccc(cc1)C[*:1] CCOc1ncnc(c1N)N(CCO)[*:1]
CCOc1ncnc(N(CCO)Cc2ccccc2)c1N CCO[*:1] Nc1c(ncnc1[*:1])N(CCO)Cc1ccccc1
CCOc1ncnc(N(CCO)Cc2ccccc2)c1N c1ccc(cc1)[*:1] CCOc1ncnc(c1N)N(CCO)C[*:1]
CC[NH2+][C@H](COCC)c1ccc(Br)cc1 CCOC[*:1] CC[NH2+][C@H](c1ccc(Br)cc1)[*:1]
CC[NH2+][C@H](COCC)c1ccc(Br)cc1 CCO[*:1] CC[NH2+][C@H](C[*:1])c1ccc(Br)cc1
COCC(=O)N1CCC[NH+](Cc2cnn3c(C)cc(C)nc23)CC1 COC[*:1] Cc1cc(C)n2ncc(C[NH+]3CCCN(CC3)C(=O)[*:1])c2n1
CC[C@@H](c1ccccc1)[S@](=O)Cc1cccc(F)c1 c1ccc(cc1)[*:1] CC[C@@H]([S@](=O)Cc1cccc(F)c1)[*:1]
COC(=O)[C@H]1CCN(C(=O)CCCCCl)C1 ClCC[*:1] COC(=O)[C@H]1CCN(C1)C(=O)CC[*:1]
COC(=O)[C@H]1CCN(C(=O)CCCCCl)C1 ClCCC[*:1] COC(=O)[C@H]1CCN(C1)C(=O)C[*:1]
COC(=O)[C@H]1CCN(C(=O)CCCCCl)C1 COC(=O)[*:1] O=C(CCCCCl)N1CC[C@@H](C1)[*:1]
COC(=O)[C@H]1CCN(C(=O)CCCCCl)C1 ClCCCC[*:1] COC(=O)[C@H]1CCN(C1)C(=O)[*:1]
CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CCC(C)(C)C CC(C)(C)C[*:1] CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)C[*:1]
CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CCC(C)(C)C CC(C)(C)[*:1] CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CC[*:1]
CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CCC(C)(C)C CC(C)[C@@H](C)[*:1] CC(C)(C)CCC(=O)N1CSC[C@@H]1C(=O)N[*:1]
CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CCC(C)(C)C CC(C)[*:1] C[C@@H](NC(=O)[C@H]1CSCN1C(=O)CCC(C)(C)C)[*:1]
CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CCC(C)(C)C CC(C)(C)CC[*:1] CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[*:1]
CC[C@]1(C)Cc2ccccc2-c2c1c(=O)n(-c1ccc(C)cc1)c1nncn21 Cc1ccc(cc1)[*:1] CC[C@]1(C)Cc2ccccc2-c2c1c(=O)n(c1nncn21)[*:1]
COc1cc(N[C@H]2C=C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1F O=C([O-])[*:1] COc1cc(N[C@H]2C=C[C@@H](C2)[*:1])c(cc1F)[N+](=O)[O-]
COc1cc(N[C@H]2C=C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] COc1cc(N[C@H]2C=C[C@H](C2)C(=O)[O-])c(cc1F)[*:1]
COC[C@@H](C(C)C)n1c([C@H](C)Cl)nc2ccc(C)cc21 C[C@H](Cl)[*:1] COC[C@@H](C(C)C)n1c(nc2ccc(C)cc21)[*:1]
COC[C@@H](C(C)C)n1c([C@H](C)Cl)nc2ccc(C)cc21 CC(C)[*:1] COC[C@@H](n1c(nc2ccc(C)cc21)[C@H](C)Cl)[*:1]
COC[C@@H](C(C)C)n1c([C@H](C)Cl)nc2ccc(C)cc21 COC[*:1] Cc1ccc2nc([C@H](C)Cl)n(c2c1)[C@H](C(C)C)[*:1]
N#Cc1cccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)c1 Clc1ccc(c(Cl)c1)[*:1] N#Cc1cccc(c1)C(=O)OCC(=O)NCC[*:1]
N#Cc1cccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)c1 N#Cc1cccc(c1)[*:1] O=C(COC(=O)[*:1])NCCc1ccc(Cl)cc1Cl
C/C(=N/C(C)C)C(F)(F)F CC(C)[*:1] CC(=N[*:1])C(F)(F)F
CCNC(=O)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1 CCNC(=O)NC[*:1] O=S(=O)(C[*:1])N1CCN(CC1)c1ncccn1
CCNC(=O)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CCNC(=O)NCCS(=O)(=O)N1CCN(CC1)[*:1]
CCNC(=O)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1 CCNC(=O)N[*:1] O=S(=O)(CC[*:1])N1CCN(CC1)c1ncccn1
NC(=O)c1ccc(NCc2ccnc(OCC(F)F)c2)nn1 FC(F)[*:1] NC(=O)c1ccc(nn1)NCc1ccnc(c1)OC[*:1]
NC(=O)c1ccc(NCc2ccnc(OCC(F)F)c2)nn1 NC(=O)[*:1] FC(F)COc1cc(ccn1)CNc1ccc(nn1)[*:1]
NC(=O)c1ccc(NCc2ccnc(OCC(F)F)c2)nn1 FC(F)CO[*:1] NC(=O)c1ccc(nn1)NCc1ccnc(c1)[*:1]
NC(=O)c1ccc(NCc2ccnc(OCC(F)F)c2)nn1 FC(F)C[*:1] NC(=O)c1ccc(nn1)NCc1ccnc(c1)O[*:1]
Cc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1[*:1]
Cc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1[N+](=O)[O-] Brc1ccc(cc1)[*:1] Cc1ccc(/C=C(/C#N)[*:1])cc1[N+](=O)[O-]
CCn1nc(C)c(CN2CCc3[nH]c[nH+]c3[C@@H]2c2ccccc2Cl)c1C Clc1ccccc1[*:1] CCn1nc(C)c(CN2CCc3[nH]c[nH+]c3[C@H]2[*:1])c1C
O=C(Cc1cccs1)NCCCCN1C(=O)c2ccccc2C1=O c1csc(c1)C[*:1] O=C1c2ccccc2C(=O)N1CCCCNC(=O)[*:1]
O=C(Cc1cccs1)NCCCCN1C(=O)c2ccccc2C1=O c1csc(c1)[*:1] O=C(C[*:1])NCCCCN1C(=O)c2ccccc2C1=O
CC(C)[NH2+][C@@]1(CO)CCC[C@H]1CCO[C@@H]1CCOC1 C1C[C@H](CO1)O[*:1] CC(C)[NH2+][C@@]1(CO)CCC[C@H]1CC[*:1]
CC(C)[NH2+][C@@]1(CO)CCC[C@H]1CCO[C@@H]1CCOC1 CC(C)[*:1] OC[C@@]1(CCC[C@H]1CCO[C@@H]1CCOC1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(CO)CCC[C@H]1CCO[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CC(C)[NH2+][C@@]1(CO)CCC[C@H]1CCO[*:1]
Cn1c(Cl)cnc1CSc1nnc(C(C)(C)C)n1N CC(C)(C)[*:1] Cn1c(Cl)cnc1CSc1nnc(n1N)[*:1]
N#Cc1ccc2nc(NC[C@H](O)C3CCCC3)ccc2c1 C1CCC(C1)[*:1] N#Cc1ccc2nc(ccc2c1)NC[C@H](O)[*:1]
N#Cc1ccc2nc(NC[C@H](O)C3CCCC3)ccc2c1 O[C@H](C1CCCC1)[*:1] N#Cc1ccc2nc(ccc2c1)NC[*:1]
COCC[C@H](C)C(=O)Nc1c[nH]cc(Br)c1=O COCC[*:1] C[C@H](C(=O)Nc1c[nH]cc(Br)c1=O)[*:1]
COCC[C@H](C)C(=O)Nc1c[nH]cc(Br)c1=O COC[*:1] C[C@@H](C[*:1])C(=O)Nc1c[nH]cc(Br)c1=O
C[C@H](Cc1c(F)cccc1F)NC(=O)CSc1nncn1C1CC1 Fc1cccc(F)c1[*:1] C[C@H](C[*:1])NC(=O)CSc1nncn1C1CC1
C[C@H](Cc1c(F)cccc1F)NC(=O)CSc1nncn1C1CC1 C1CC1[*:1] C[C@H](Cc1c(F)cccc1F)NC(=O)CSc1nncn1[*:1]
C[C@H](Cc1c(F)cccc1F)NC(=O)CSc1nncn1C1CC1 c1nnc(n1C1CC1)[*:1] C[C@H](Cc1c(F)cccc1F)NC(=O)CS[*:1]
O=C1S[C@H](Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1S[C@H](Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N1[*:1]
O=C1S[C@H](Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1S[C@H](Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N1C[*:1]
O=C1S[C@H](Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1 FC(F)(F)[*:1] O=C1S[C@H](Nc2cc(cc(c2)[*:1])C(F)(F)F)C(=O)N1Cc1ccccc1
CSc1nc(C)c(CC(=O)Nc2c(C(C)C)cccc2C(C)C)s1 CC(C)[*:1] CSc1nc(C)c(CC(=O)Nc2c(cccc2[*:1])C(C)C)s1
CSc1nc(C)c(CC(=O)Nc2c(C(C)C)cccc2C(C)C)s1 CSc1nc(C)c(s1)[*:1] CC(C)c1cccc(c1NC(=O)C[*:1])C(C)C
C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@H](OC(=O)c1cc2cc(ccc2s1)[N+](=O)[O-])C(=O)N[*:1]
C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] C[C@H](OC(=O)c1cc2cc(ccc2s1)[N+](=O)[O-])[*:1]
C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)NC1CCCC1 O=[N+]([O-])[*:1] C[C@H](OC(=O)c1cc2cc(ccc2s1)[*:1])C(=O)NC1CCCC1
COc1ccccc1CNC(=O)[C@H](C)[S@@](=O)Cc1ccon1 c1cc(no1)[*:1] COc1ccccc1CNC(=O)[C@H](C)[S@@](=O)C[*:1]
CSC(=S)N/N=C\c1ccc(N(C)C)cc1 CN(C)[*:1] CSC(=S)N/N=C\c1ccc(cc1)[*:1]
CC[C@](C)([NH2+]Cc1ncn(-c2ccccc2)n1)c1nccs1 c1csc(n1)[*:1] CC[C@](C)([NH2+]Cc1ncn(n1)-c1ccccc1)[*:1]
CC[C@](C)([NH2+]Cc1ncn(-c2ccccc2)n1)c1nccs1 c1ccc(cc1)[*:1] CC[C@](C)([NH2+]Cc1ncn(n1)[*:1])c1nccs1
COc1ccc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)cc1C(N)=O CC(C)[*:1] COc1ccc(cc1C(N)=O)S(=O)(=O)N1CC[NH+](CC1)[*:1]
COc1ccc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)cc1C(N)=O NC(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1CC[NH+](CC1)C(C)C
CCS(=O)(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 CCS(=O)(=O)N[*:1] Cc1cccc(c1)C[NH+]1CCC(CC1)[*:1]
COC(=O)N1CCC[C@@H](NC(=O)N(C)C(C)C)C1 CC(C)[*:1] COC(=O)N1CCC[C@H](C1)NC(=O)N(C)[*:1]
COc1nn(C)cc1C(=O)N(Cc1ccccn1)c1nc2cc(C)cc(C)c2s1 c1ccc(nc1)[*:1] COc1nn(C)cc1C(=O)N(C[*:1])c1nc2cc(C)cc(C)c2s1
COc1nn(C)cc1C(=O)N(Cc1ccccn1)c1nc2cc(C)cc(C)c2s1 c1ccc(C[*:1])nc1 COc1nn(C)cc1C(=O)N(c1nc2cc(C)cc(C)c2s1)[*:1]
COc1nn(C)cc1C(=O)N(Cc1ccccn1)c1nc2cc(C)cc(C)c2s1 COc1nn(C)cc1[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1ccccn1)C(=O)[*:1]
CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] CSc1ccccc1NC(=O)COc1ccc(cc1)[*:1]
CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 CSc1ccccc1[*:1] O=C(COc1ccc(cc1)S(=O)(=O)N1CCCC1)N[*:1]
COc1ccccc1C1=[N+](c2ccccc2)CN(c2ccccc2)C1 c1ccc(cc1)[*:1] COc1ccccc1C1CN(C[N+]=1c1ccccc1)[*:1]
COc1ccccc1C1=[N+](c2ccccc2)CN(c2ccccc2)C1 c1ccc(cc1)[*:1] COc1ccccc1C1CN(C[N+]=1[*:1])c1ccccc1
COc1ccccc1C1=[N+](c2ccccc2)CN(c2ccccc2)C1 COc1ccccc1[*:1] c1ccc(cc1)N1CC(=[N+](C1)c1ccccc1)[*:1]
CCCCCn1c(=O)c2c(nc3n2C[C@@H](O)CN3c2ccc(OCC)cc2)n(C)c1=O CCO[*:1] CCCCCn1c(=O)c2c(nc3N(C[C@H](O)Cn32)c2ccc(cc2)[*:1])n(C)c1=O
CCCCCn1c(=O)c2c(nc3n2C[C@@H](O)CN3c2ccc(OCC)cc2)n(C)c1=O CCOc1ccc(cc1)[*:1] CCCCCn1c(=O)c2c(nc3N(C[C@H](O)Cn32)[*:1])n(C)c1=O
CCCCCn1c(=O)c2c(nc3n2C[C@@H](O)CN3c2ccc(OCC)cc2)n(C)c1=O CCCC[*:1] CCOc1ccc(cc1)N1C[C@H](O)Cn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
CCCCCn1c(=O)c2c(nc3n2C[C@@H](O)CN3c2ccc(OCC)cc2)n(C)c1=O CCCCC[*:1] CCOc1ccc(cc1)N1C[C@H](O)Cn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
CCCCCn1c(=O)c2c(nc3n2C[C@@H](O)CN3c2ccc(OCC)cc2)n(C)c1=O CCC[*:1] CCOc1ccc(cc1)N1C[C@H](O)Cn2c1nc1c2c(=O)n(CC[*:1])c(=O)n1C
Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1N C[C@H](c1ccc(F)cc1)[*:1] Cc1occc1-c1nnc(S[C@H](C)C(=O)N[*:1])n1N
Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1N Fc1ccc(cc1)[*:1] Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@H](C)[*:1])n1N
Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1N Cc1occc1[*:1] C[C@@H](Sc1nnc(n1N)[*:1])C(=O)N[C@H](C)c1ccc(F)cc1
COc1cc(OC)c(NC(=O)c2cccc(SCC#N)c2)cc1F N#CC[*:1] COc1cc(OC)c(cc1F)NC(=O)c1cccc(c1)S[*:1]
COc1cc(OC)c(NC(=O)c2cccc(SCC#N)c2)cc1F N#CCS[*:1] COc1cc(OC)c(cc1F)NC(=O)c1cccc(c1)[*:1]
CCc1ccc(CC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] CCc1ccc(cc1)CC(=O)Nc1ccc(C)c(c1)[*:1]
COc1cccc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 O=[N+]([O-])[*:1] COc1cccc(c1)OCC(=O)N1CCc2ccc(cc21)[*:1]
COc1cccc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 COc1cccc(c1)[*:1] O=C(CO[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
O=C(NCCNC(=O)c1cccnc1)NC(C1CC1)C1CC1 c1cncc(c1)[*:1] O=C(NCCNC(=O)[*:1])NC(C1CC1)C1CC1
O=C(NCCNC(=O)c1cccnc1)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] O=C(NCCNC(=O)c1cccnc1)N[*:1]
O=C(NCCNC(=O)c1cccnc1)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(NCCNC(=O)c1cccnc1)NC(C1CC1)[*:1]
Cc1ccc([S@@](=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)[S@@](=O)[C@H]1CCN(C1)C(=O)O[*:1]
CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC(N)=O)CO2 NC(=O)CNC(=O)[*:1] CN(C)C(=O)c1ccc2OC[C@@H](C[*:1])N(C)c2c1
CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC(N)=O)CO2 NC(=O)[*:1] CN(C)C(=O)c1ccc2OC[C@@H](CC(=O)NC[*:1])N(C)c2c1
CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC(N)=O)CO2 NC(=O)C[*:1] CN(C)C(=O)c1ccc2OC[C@@H](CC(=O)N[*:1])N(C)c2c1
CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC(N)=O)CO2 NC(=O)CNC(=O)C[*:1] CN(C)C(=O)c1ccc2OC[C@@H](N(C)c2c1)[*:1]
CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCC(N)=O)CO2 CN(C)C(=O)[*:1] CN1c2cc(ccc2OC[C@H]1CC(=O)NCC(N)=O)[*:1]
Cc1cccc(CC(=O)NC2(CC(=O)[O-])CCC2)c1 O=C([O-])C[*:1] Cc1cccc(c1)CC(=O)NC1(CCC1)[*:1]
Cc1cccc(CC(=O)NC2(CC(=O)[O-])CCC2)c1 O=C([O-])[*:1] Cc1cccc(c1)CC(=O)NC1(CCC1)C[*:1]
CCOc1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1 CC(C)C[*:1] CCOc1ccccc1NS(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1 CC(C)[*:1] CCOc1ccccc1NS(=O)(=O)c1ccc(cc1)C[*:1]
CCOc1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1 CCO[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1[*:1]
CCNC(=O)CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] CCNC(=O)CCCC(=O)N1CCc2ccc(cc2C1)[*:1]
CCNC(=O)CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 CCNC(=O)CC[*:1] O=C(C[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
CCNC(=O)CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 CCNC(=O)C[*:1] O=C(CC[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
CCNC(=O)CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 CCNC(=O)[*:1] O=C(CCC[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
Cc1cc(C)c(NC(=O)CCCNC(=O)c2cccs2)c(Cl)c1 c1csc(c1)[*:1] Cc1cc(C)c(NC(=O)CCCNC(=O)[*:1])c(Cl)c1
CN(CC1CCCC1)C(=O)C(=O)Nc1ccc2c3c(cccc13)CC2 C1CCC(C1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2CCc3cccc1c32
CN(CC1CCCC1)C(=O)C(=O)Nc1ccc2c3c(cccc13)CC2 C1CCC(C1)C[*:1] CN(C(=O)C(=O)Nc1ccc2CCc3cccc1c32)[*:1]
C[NH+](Cc1cccc(C#N)c1)Cc1csc(-c2ccco2)n1 c1coc(c1)[*:1] C[NH+](Cc1cccc(C#N)c1)Cc1csc(n1)[*:1]
CC[C@@H](CO)[NH+]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC[C@@H](CO)[NH+]1CCN(CC1)Cc1c[nH]nc1[*:1]
CCCC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 CCC[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)[*:1]
CCCC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 CCCC(=O)N(C)[*:1] c1cc(cc[nH+]1)N1CCC(CC1)CC[*:1]
CCOC(=O)C1CC[N+](=c2c(O)c(O)/c2=N\Cc2ccc(OC)cc2)CC1 CCOC(=O)[*:1] COc1ccc(cc1)C/N=c1\c(O)c(O)c1=[N+]1CCC(CC1)[*:1]
CCOC(=O)C1CC[N+](=c2c(O)c(O)/c2=N\Cc2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] CCOC(=O)C1CC[N+](CC1)=c1c(O)c(O)/c1=N\C[*:1]
CCOC(=O)C1CC[N+](=c2c(O)c(O)/c2=N\Cc2ccc(OC)cc2)CC1 COc1ccc(cc1)C[*:1] CCOC(=O)C1CC[N+](CC1)=c1c(O)c(O)c1=N[*:1]
CCCCc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O CCC[*:1] CC(=O)COc1ccc2c(C)c(C[*:1])c(=O)oc2c1C
CCCCc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O CCCC[*:1] CC(=O)COc1ccc2c(C)c(c(=O)oc2c1C)[*:1]
CCCCc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O CC(=O)CO[*:1] CCCCc1c(C)c2ccc(c(C)c2oc1=O)[*:1]
CCCCc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O CC(=O)C[*:1] CCCCc1c(C)c2ccc(O[*:1])c(C)c2oc1=O
CCCCc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O CC(=O)[*:1] CCCCc1c(C)c2ccc(OC[*:1])c(C)c2oc1=O
COc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)c(OC)c1 c1cnc2sc(nc2c1)[*:1] COc1ccc(C(=O)Nc2cccc(c2)[*:1])c(c1)OC
O=[N+]([O-])c1ccc2c([N+](=O)[O-])c([O-])ccc2c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1c([O-])ccc2cc(ccc12)[*:1]
O=[N+]([O-])c1ccc2c([N+](=O)[O-])c([O-])ccc2c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc2c(c([O-])ccc2c1)[*:1]
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCC1)c1nnc2ccccn12 FC(F)(F)[*:1] C[C@H](NC(=O)N(CC[*:1])C1CCC1)c1nnc2ccccn12
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCC1)c1nnc2ccccn12 FC(F)(F)CC[*:1] C[C@H](NC(=O)N(C1CCC1)[*:1])c1nnc2ccccn12
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCC1)c1nnc2ccccn12 C1CC(C1)[*:1] C[C@H](NC(=O)N(CCC(F)(F)F)[*:1])c1nnc2ccccn12
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCC1)c1nnc2ccccn12 FC(F)(F)C[*:1] C[C@H](NC(=O)N(C[*:1])C1CCC1)c1nnc2ccccn12
CCOC(=O)[C@H](C)Nc1ccccc1OC CCOC(=O)[*:1] COc1ccccc1N[C@@H](C)[*:1]
CCOc1ccc(C(=O)NCCc2ccccc2)cc1Br CCO[*:1] O=C(NCCc1ccccc1)c1ccc(c(Br)c1)[*:1]
CCOc1ccc(C(=O)NCCc2ccccc2)cc1Br c1ccc(cc1)C[*:1] CCOc1ccc(cc1Br)C(=O)NC[*:1]
CCOc1ccc(C(=O)NCCc2ccccc2)cc1Br c1ccc(cc1)[*:1] CCOc1ccc(cc1Br)C(=O)NCC[*:1]
CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)cc1 CCOc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1cc([nH]n1)-c1ccccn1
CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)cc1 c1ccc(nc1)[*:1] CCOc1ccc(cc1)NC(=O)[C@@H]1CCCN(C1)C(=O)c1cc([nH]n1)[*:1]
CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCCN(C1)C(=O)c1cc([nH]n1)-c1ccccn1
O=C(CNC(=O)Cc1n[nH]c2c(Cl)cccc12)NCC1CCCCC1 C1CCC(CC1)[*:1] O=C(CNC(=O)Cc1n[nH]c2c(Cl)cccc12)NC[*:1]
O=C(CNC(=O)Cc1n[nH]c2c(Cl)cccc12)NCC1CCCCC1 C1CCC(CC1)C[*:1] O=C(Cc1n[nH]c2c(Cl)cccc12)NCC(=O)N[*:1]
CC(=O)N[C@@H](CC(=O)NC1CC1)c1c(F)cccc1F O=C(NC1CC1)[*:1] CC(=O)N[C@@H](C[*:1])c1c(F)cccc1F
CC(=O)N[C@@H](CC(=O)NC1CC1)c1c(F)cccc1F C1CC1[*:1] CC(=O)N[C@@H](CC(=O)N[*:1])c1c(F)cccc1F
CC(=O)N[C@@H](CC(=O)NC1CC1)c1c(F)cccc1F CC(=O)N[*:1] O=C(C[C@@H](c1c(F)cccc1F)[*:1])NC1CC1
Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)n[nH]2)s1 c1coc(c1)[*:1] Cc1ccc(s1)-c1cc(n[nH]1)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)n[nH]2)s1 Cc1ccc(s1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc([nH]n1)[*:1]
Cc1nnc(CO/N=C(/N)Cc2ccccc2)n1C1CC1 C1CC1[*:1] Cc1nnc(CO/N=C(/N)Cc2ccccc2)n1[*:1]
Cc1nnc(CO/N=C(/N)Cc2ccccc2)n1C1CC1 c1ccc(cc1)[*:1] Cc1nnc(CO/N=C(/N)C[*:1])n1C1CC1
Cc1nnc(CO/N=C(/N)Cc2ccccc2)n1C1CC1 c1ccc(cc1)C[*:1] Cc1nnc(CO/N=C(/N)[*:1])n1C1CC1
CNC(=O)c1cc2c(s1)CCN(C(=O)[C@@H]1CCCN(C(N)=O)C1)C2 CNC(=O)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N1CCc2sc(cc2C1)[*:1]
Cc1cccc(NC(=O)CCN[C@H](C(=O)N(C)C)c2ccccc2)c1C CN(C)C(=O)[*:1] Cc1cccc(NC(=O)CCN[C@H](c2ccccc2)[*:1])c1C
Cc1cccc(NC(=O)CCN[C@H](C(=O)N(C)C)c2ccccc2)c1C Cc1cccc(c1C)[*:1] CN(C)C(=O)[C@@H](NCCC(=O)N[*:1])c1ccccc1
Cc1cccc(NC(=O)CCN[C@H](C(=O)N(C)C)c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)CCN[C@H](C(=O)N(C)C)[*:1])c1C
FC(F)(F)c1ccc(SCc2ccc(Cl)nc2)nc1 FC(F)(F)[*:1] Clc1ccc(cn1)CSc1ccc(cn1)[*:1]
CC(C)Nc1ncccc1C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 CC(C)N[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)c1cccnc1[*:1]
CC(C)Nc1ncccc1C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 CC(C)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)c1cccnc1N[*:1]
Cc1cc(O)c(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)[nH]n2)cc1C c1cc2OCOc2cc1[*:1] Cc1cc(O)c(cc1C)-c1cc([nH]n1)C(=O)NC[*:1]
Cc1cc(O)c(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)[nH]n2)cc1C Cc1cc(O)c(cc1C)[*:1] O=C(NCc1ccc2OCOc2c1)c1cc(n[nH]1)[*:1]
COc1cc(-c2onc(C)c2C(=O)N(C)Cc2ccccc2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-c1onc(C)c1C(=O)N(C)C[*:1]
COc1cc(-c2onc(C)c2C(=O)N(C)Cc2ccccc2)cc(OC)c1OC c1ccc(cc1)C[*:1] COc1cc(cc(OC)c1OC)-c1onc(C)c1C(=O)N(C)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1=O c1cc2OCOc2cc1C[*:1] CC[C@@]1(NC(=O)N(CN2CC[NH+](CC2)[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1=O c1cc2OCOc2cc1[*:1] CC[C@@]1(NC(=O)N(CN2CC[NH+](CC2)C[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CN2CC[NH+](CC2)Cc2ccc3OCOc3c2)C1=O)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)CC#N N#CC[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)CC#N c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)CC#N
COc1cc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)c1ccc(cc1)CN1CC[NH+](C)CC1
CCOC(=O)N1CCC([NH2+]C[C@@H](OC)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)[NH2+]C[C@@H](OC)[*:1]
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C CN(C)S(=O)(=O)[*:1] COc1ccc(cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[*:1]
CCOC(=O)Cc1nc(COc2ccc3ccccc3c2)n[nH]1 CCOC(=O)C[*:1] c1ccc2cc(ccc2c1)OCc1n[nH]c(n1)[*:1]
CCOC(=O)Cc1nc(COc2ccc3ccccc3c2)n[nH]1 CCOC(=O)[*:1] c1ccc2cc(ccc2c1)OCc1n[nH]c(C[*:1])n1
CCOC[C@H]1CCCN(C(=O)c2csc(COC)n2)C1 CCO[*:1] COCc1nc(cs1)C(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)c2csc(COC)n2)C1 CCOC[*:1] COCc1nc(cs1)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2csc(COC)n2)C1 COC[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
O=C(c1cccc(S(=O)(=O)Oc2ccc(Cl)cc2)c1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(Oc1ccc(Cl)cc1)c1cccc(c1)[*:1]
O=C(c1cccc(S(=O)(=O)Oc2ccc(Cl)cc2)c1)N1CCCC1 Clc1ccc(cc1)[*:1] O=C(c1cccc(c1)S(=O)(=O)O[*:1])N1CCCC1
CC1=C(C(=O)O[C@@H](C)[C@@H]2CCCO2)CCCO1 C1CO[C@@H](C1)[*:1] CC1OCCCC=1C(=O)O[C@@H](C)[*:1]
CCC(=O)Nc1cccc(C(=O)Nc2nnc(S[C@@H](C)CC)s2)c1 CCC(=O)N[*:1] CC[C@H](C)Sc1nnc(NC(=O)c2cccc(c2)[*:1])s1
O=C(C[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(C[NH+]1CCN(CC1)c1ccccc1F)Nc1ccc(Cl)c(c1)[*:1]
O=C(C[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 Fc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
CC[C@H](CO)NC(=O)NCCCc1nc2ccccc2s1 CC[C@H](CO)[*:1] O=C(NCCCc1nc2ccccc2s1)N[*:1]
O=C(c1cc(Cl)ccc1-n1cnnn1)N1CC[C@H](Nc2ccccc2)C1 c1nnnn1[*:1] O=C(c1cc(Cl)ccc1[*:1])N1CC[C@@H](C1)Nc1ccccc1
O=C(c1cc(Cl)ccc1-n1cnnn1)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=C(c1cc(Cl)ccc1-n1cnnn1)N1CC[C@H](C1)[*:1]
O=C(c1cc(Cl)ccc1-n1cnnn1)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cc(Cl)ccc1-n1cnnn1)N1CC[C@@H](C1)N[*:1]
O=C(Cc1ccsc1)NCc1ccc(CN2CCOCC2)cc1 c1cc(cs1)[*:1] O=C(C[*:1])NCc1ccc(cc1)CN1CCOCC1
O=C(Cc1ccsc1)NCc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=C(Cc1ccsc1)NCc1ccc(cc1)[*:1]
O=C(Cc1ccsc1)NCc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(Cc1ccsc1)NCc1ccc(cc1)C[*:1]
O=C(Cc1ccsc1)NCc1ccc(CN2CCOCC2)cc1 c1cc(cs1)C[*:1] O=C(NCc1ccc(cc1)CN1CCOCC1)[*:1]
CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc(C)ccc2C)CC1 Cc1ccc(C)c(c1)[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(CC1)[*:1]
[O-]/C(C[C@@H](O)c1ccccc1)=N\c1nc(C(F)(F)F)n[nH]1 FC(F)(F)[*:1] [O-]/C(C[C@@H](O)c1ccccc1)=N\c1nc(n[nH]1)[*:1]
[O-]/C(C[C@@H](O)c1ccccc1)=N\c1nc(C(F)(F)F)n[nH]1 c1ccc(cc1)[*:1] [O-]/C(C[C@@H](O)[*:1])=N\c1nc(n[nH]1)C(F)(F)F
NC(=O)[C@@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)COc1ccc2CCCc2c1)[*:1]
NC(=O)[C@@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccccc1 NC(=O)[*:1] O=C(COc1ccc2CCCc2c1)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)n[nH]2)s1 Cc1ccc(s1)[*:1] C[C@H](OC(=O)c1cc([nH]n1)[*:1])C(=O)N1CCc2ccccc21
O=C(Nc1cc(F)cc(Cl)c1)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1cc(F)cc(Cl)c1)N[C@H](CO)[*:1]
C=CCN(Cc1ncc(-c2cccs2)o1)S(=O)(=O)C(C)(C)C CC(C)(C)[*:1] C=CCN(Cc1ncc(o1)-c1cccs1)S(=O)(=O)[*:1]
C=CCN(Cc1ncc(-c2cccs2)o1)S(=O)(=O)C(C)(C)C c1csc(c1)[*:1] C=CCN(Cc1ncc(o1)[*:1])S(=O)(=O)C(C)(C)C
C=CCN(Cc1ncc(-c2cccs2)o1)S(=O)(=O)C(C)(C)C C=CC[*:1] CC(C)(C)S(=O)(=O)N(Cc1ncc(o1)-c1cccs1)[*:1]
COc1ccccc1CNC(=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1 COc1ccccc1C[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)C(=O)N[*:1]
COc1ccccc1CNC(=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1 Cc1nc(cs1)[*:1] COc1ccccc1CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1CNC(=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1 COc1ccccc1[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)C(=O)NC[*:1]
Cc1ccccc1/N=C/c1c(C)nn(-c2ccccc2)c1Cl Cc1ccccc1[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C=N[*:1]
Cc1ccccc1/N=C/c1c(C)nn(-c2ccccc2)c1Cl c1ccc(cc1)[*:1] Cc1ccccc1/N=C/c1c(C)nn(c1Cl)[*:1]
O=C1SC(N2CC[NH+](Cc3ccccc3)CC2)=N/C1=C/c1ccccc1 c1ccc(cc1)C[*:1] O=C1SC(=N/C1=C/c1ccccc1)N1CC[NH+](CC1)[*:1]
O=C1SC(N2CC[NH+](Cc3ccccc3)CC2)=N/C1=C/c1ccccc1 c1ccc(cc1)[*:1] O=C1SC(=NC1=C[*:1])N1CC[NH+](CC1)Cc1ccccc1
O=C1SC(N2CC[NH+](Cc3ccccc3)CC2)=N/C1=C/c1ccccc1 c1ccc(cc1)[*:1] O=C1SC(=N/C1=C/c1ccccc1)N1CC[NH+](CC1)C[*:1]
C[C@@H](CC(N)=O)[NH2+]Cc1ccc(O)c(Br)c1 NC(=O)[*:1] C[C@@H](C[*:1])[NH2+]Cc1ccc(O)c(Br)c1
C[C@@H](CC(N)=O)[NH2+]Cc1ccc(O)c(Br)c1 NC(=O)C[*:1] C[C@@H]([NH2+]Cc1ccc(O)c(Br)c1)[*:1]
Cc1cccc(NC(=O)COC(=O)[C@@H](C)NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)COC(=O)[C@@H](C)NC(=O)[*:1]
Cc1cccc(NC(=O)COC(=O)[C@@H](C)NC(=O)c2ccccc2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N[*:1]
C[C@@H](CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)N(C)c1ccccc1 C1CC1[*:1] C[C@@H](CNC(=O)c1cc(nc2c1c(=O)[nH]n2C)[*:1])N(C)c1ccccc1
C[C@@H](CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1cc(nc2c1c(=O)[nH]n2C)C1CC1)N(C)[*:1]
C[C@@H](CNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@H](CNC(=O)c1cc(nc2c1c(=O)[nH]n2C)C1CC1)[*:1]
Cc1csc2nc3n(c(=O)c12)CCN(C(=O)CCn1nccc1C)CC3 Cc1ccnn1C[*:1] Cc1csc2nc3CCN(CCn3c(=O)c12)C(=O)C[*:1]
Cc1csc2nc3n(c(=O)c12)CCN(C(=O)CCn1nccc1C)CC3 Cc1ccnn1[*:1] Cc1csc2nc3CCN(CCn3c(=O)c12)C(=O)CC[*:1]
Cc1csc2nc3n(c(=O)c12)CCN(C(=O)CCn1nccc1C)CC3 Cc1ccnn1CC[*:1] Cc1csc2nc3CCN(CCn3c(=O)c12)C(=O)[*:1]
CCc1noc([C@@H](C)SCc2cc(Cl)cc3c2OCOC3)n1 CCc1noc(n1)[*:1] C[C@@H](SCc1cc(Cl)cc2COCOc21)[*:1]
CCN(CC1CC1)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CCN(CC1CC1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCN(CC1CC1)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 C1CC1[*:1] CCN(C[*:1])C(=O)Nc1ccc(cc1)C(=O)NCc1ccc(F)cc1
CCN(CC1CC1)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 C1CC1C[*:1] CCN(C(=O)Nc1ccc(cc1)C(=O)NCc1ccc(F)cc1)[*:1]
CCN(CC1CC1)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCN(CC1CC1)C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CCCN1C(=O)N[C@@H](CCSC)C1=O CSCC[*:1] CCCN1C(=O)N[C@@H](C1=O)[*:1]
CCCN1C(=O)N[C@@H](CCSC)C1=O CCC[*:1] CSCC[C@@H]1NC(=O)N(C1=O)[*:1]
CCCN1C(=O)N[C@@H](CCSC)C1=O CSC[*:1] CCCN1C(=O)N[C@@H](C[*:1])C1=O
COc1cccc(C[NH3+])c1O[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] COc1cccc(C[NH3+])c1O[C@H]1CCC[C@H](C1)[*:1]
CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCCc1ccccn1)C2=O c1ccc(CC[*:1])nc1 CN1C(=O)N[C@H](C2C(=O)N(CC(=O)N[*:1])CC=21)c1ccccc1Cl
CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCCc1ccccn1)C2=O c1ccc(C[*:1])nc1 CN1C(=O)N[C@H](C2C(=O)N(CC(=O)NC[*:1])CC=21)c1ccccc1Cl
CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCCc1ccccn1)C2=O c1ccc(nc1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC(=O)NCC[*:1])CC=21)c1ccccc1Cl
CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCCc1ccccn1)C2=O Clc1ccccc1[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC(=O)NCCc3ccccn3)CC=21)[*:1]
CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 CCC[*:1] c1cnnc(c1)N1CCC[C@H](C1)[NH2+][C@@H]1CCC[C@H]1C[*:1]
CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 CCCC[*:1] c1cnnc(c1)N1CCC[C@H](C1)[NH2+][C@@H]1CCC[C@H]1[*:1]
CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 c1cnnc(c1)[*:1] CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(C1)[*:1]
O=C(CCCNC(=O)c1cccs1)Nc1ccccc1F c1csc(c1)[*:1] O=C(CCCNC(=O)[*:1])Nc1ccccc1F
O=C(CCCNC(=O)c1cccs1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CCCNC(=O)c1cccs1)N[*:1]
c1cncc(Cc2nnc3n2CCN(c2nccc(C4CCCC4)n2)CC3)c1 c1cncc(c1)[*:1] c1cc(nc(n1)N1CCc2nnc(C[*:1])n2CC1)C1CCCC1
c1cncc(Cc2nnc3n2CCN(c2nccc(C4CCCC4)n2)CC3)c1 C1CCC(C1)[*:1] c1cncc(c1)Cc1nnc2CCN(CCn21)c1nccc(n1)[*:1]
c1cncc(Cc2nnc3n2CCN(c2nccc(C4CCCC4)n2)CC3)c1 c1cncc(c1)C[*:1] c1cc(nc(n1)N1CCc2nnc(n2CC1)[*:1])C1CCCC1
C[C@@H]1CN(C(=O)/C=C/C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C C1CC1[*:1] C[C@@H]1CN(CC[C@@H]1NC(=O)OC(C)(C)C)C(=O)C=C[*:1]
C[C@@H]1CN(C(=O)/C=C/C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C C(=C[*:1])C1CC1 C[C@@H]1CN(CC[C@@H]1NC(=O)OC(C)(C)C)C(=O)[*:1]
C[C@@H]1CN(C(=O)/C=C/C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H]1CN(CC[C@@H]1NC(=O)O[*:1])C(=O)/C=C/C1CC1
CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)N[*:1]
COC(=O)[C@H](NC(=O)c1ccc(F)cc1C)c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] COC(=O)[C@H](NC(=O)c1ccc(F)cc1C)[*:1]
COC(=O)[C@H](NC(=O)c1ccc(F)cc1C)c1ccc(Cl)c(F)c1 Cc1cc(F)ccc1[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@H](NC(=O)c1ccc(F)cc1C)c1ccc(Cl)c(F)c1 COC(=O)[*:1] Cc1cc(F)ccc1C(=O)N[C@H](c1ccc(Cl)c(F)c1)[*:1]
COc1ccc(SCCC(=O)Oc2ccc3ccc(=O)oc3c2)cc1 COc1ccc(cc1)[*:1] O=C(CCS[*:1])Oc1ccc2ccc(=O)oc2c1
COc1ccc(C(=O)CSc2nc3ccccc3nc2-c2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] O=C(CSc1nc2ccccc2nc1-c1ccccc1)[*:1]
COc1ccc(C(=O)CSc2nc3ccccc3nc2-c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)CSc1nc2ccccc2nc1[*:1]
O=Cc1ccc(OC[C@H]2CCOC2)cn1 C1C[C@@H](CO1)[*:1] O=Cc1ccc(cn1)OC[*:1]
C[C@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] CN1C(=O)CO[C@@H](C(=O)NC[*:1])[C@@H]1c1cccc(F)c1
C[C@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 Fc1cccc(c1)[*:1] C[C@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1[*:1])c1ccc(F)cc1
C[C@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1)[*:1]
O=C(NC[C@H](O)C1CCOCC1)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CC(CCO1)[*:1] O=C(NC[C@H](O)[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
O=C(NC[C@H](O)C1CCOCC1)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(NC[C@H](O)C1CCOCC1)N[C@H]1CCCC[C@H]1O[*:1]
O=C(NC[C@H](O)C1CCOCC1)N[C@H]1CCCC[C@H]1OC1CCCC1 O[C@H](C1CCOCC1)[*:1] O=C(NC[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
O=C(NC[C@H](O)C1CCOCC1)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(NC[C@H](O)C1CCOCC1)N[C@H]1CCCC[C@@H]1[*:1]
O=C(Nc1nc2c(s1)CCCC2)c1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nc2CCCCc2s1)c1cc(nn1[*:1])C1CC1
O=C(Nc1nc2c(s1)CCCC2)c1cc(C2CC2)nn1-c1ccccc1 C1CC1[*:1] O=C(Nc1nc2CCCCc2s1)c1cc(nn1-c1ccccc1)[*:1]
C[C@@H](C[NH+]1CCCCC1)NC(=O)OCCO OCC[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)O[*:1]
O=C(NCc1ccc(Cl)nc1)N1CCC[C@@H]1C1CCCC1 C1CCC(C1)[*:1] O=C(NCc1ccc(Cl)nc1)N1CCC[C@H]1[*:1]
O=C(NCc1ccc(Cl)nc1)N1CCC[C@@H]1C1CCCC1 Clc1ccc(cn1)[*:1] O=C(NC[*:1])N1CCC[C@@H]1C1CCCC1
COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)C(C)C c1coc(c1)[*:1] COc1ccc(cc1NC(=S)NC(=O)C(C)C)NC(=O)[*:1]
COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)C(C)C CC(C)[*:1] COc1ccc(cc1NC(=S)NC(=O)[*:1])NC(=O)c1ccco1
COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)C(C)C O=C(N[*:1])c1ccco1 COc1ccc(cc1NC(=S)NC(=O)C(C)C)[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1n[nH]cc1[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] CC(C)(C)[*:1] COc1ccc(cc1NC(=O)c1n[nH]cc1[N+](=O)[O-])[*:1]
C[C@H]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccon2)CC1 c1cc(no1)[*:1] C[C@H]1CCCC[C@@H]1CNC(=O)N1CCN(CC1)C[*:1]
C[C@H]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccon2)CC1 c1cc(C[*:1])no1 C[C@H]1CCCC[C@@H]1CNC(=O)N1CCN(CC1)[*:1]
Cc1c([N+](=O)[O-])cc(C([O-])(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1c(cc(cc1[N+](=O)[O-])C([O-])(C(F)(F)F)[*:1])[N+](=O)[O-]
Cc1c([N+](=O)[O-])cc(C([O-])(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[*:1])C([O-])(C(F)(F)F)C(F)(F)F)[N+](=O)[O-]
CCc1ccc(OCCCCC(=O)NN)c(Cl)c1 NNC(=O)[*:1] CCc1ccc(OCCCC[*:1])c(Cl)c1
CCc1ccc(OCCCCC(=O)NN)c(Cl)c1 NNC(=O)CC[*:1] CCc1ccc(OCC[*:1])c(Cl)c1
CCc1ccc(OCCCCC(=O)NN)c(Cl)c1 NNC(=O)C[*:1] CCc1ccc(OCCC[*:1])c(Cl)c1
CS(=O)(=O)CCNC(=O)c1cnn(Cc2ccccc2Cl)c1 CS(=O)(=O)[*:1] O=C(NCC[*:1])c1cnn(c1)Cc1ccccc1Cl
CS(=O)(=O)CCNC(=O)c1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] CS(=O)(=O)CCNC(=O)c1cnn(c1)C[*:1]
CS(=O)(=O)CCNC(=O)c1cnn(Cc2ccccc2Cl)c1 CS(=O)(=O)C[*:1] O=C(NC[*:1])c1cnn(c1)Cc1ccccc1Cl
CS(=O)(=O)CCNC(=O)c1cnn(Cc2ccccc2Cl)c1 CS(=O)(=O)CC[*:1] O=C(N[*:1])c1cnn(c1)Cc1ccccc1Cl
CC(C)(C)c1ncc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)Cc1ccc(F)cc1)c1cnc(nc1)[*:1]
CC(C)(C)c1ncc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cn1 Fc1ccc(cc1)C[*:1] CC(C)(C)c1ncc(cn1)C(=O)Nc1cnn(c1)[*:1]
CC(C)(C)c1ncc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cn1 Fc1ccc(cc1)[*:1] CC(C)(C)c1ncc(cn1)C(=O)Nc1cnn(c1)C[*:1]
O=C(NCc1nnc2n1CCC2)C1c2ccccc2Oc2ccccc21 C1Cc2nnc(n2C1)[*:1] O=C(NC[*:1])C1c2ccccc2Oc2ccccc21
CCNc1nccc(-c2sccc2C)n1 CCN[*:1] Cc1ccsc1-c1ccnc(n1)[*:1]
CCC(CC)[C@@H]1CCN(C(=O)CCSc2nc(C)n[nH]2)C1 Cc1n[nH]c(n1)[*:1] CCC(CC)[C@@H]1CCN(C1)C(=O)CCS[*:1]
CCC(CC)[C@@H]1CCN(C(=O)CCSc2nc(C)n[nH]2)C1 CCC(CC)[*:1] Cc1n[nH]c(n1)SCCC(=O)N1CC[C@H](C1)[*:1]
CCC(CC)[C@@H]1CCN(C(=O)CCSc2nc(C)n[nH]2)C1 Cc1n[nH]c(n1)S[*:1] CCC(CC)[C@@H]1CCN(C1)C(=O)CC[*:1]
CCCc1nc(C)c(C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)s1 CCC[*:1] CC[NH+]1CCC(CC1)n1nccc1NC(=O)c1sc(nc1C)[*:1]
COC(=O)c1ccccc1OC(=O)c1ccsc1 COC(=O)[*:1] O=C(Oc1ccccc1[*:1])c1ccsc1
COC(=O)c1ccccc1OC(=O)c1ccsc1 c1cc(cs1)[*:1] COC(=O)c1ccccc1OC(=O)[*:1]
COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)nc(C)n3C2CCCC2)CC1 COc1ccccc1NC(=O)[*:1] Cc1nc2cc(ccc2n1C1CCCC1)S(=O)(=O)N1CCC(CC1)[*:1]
COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)nc(C)n3C2CCCC2)CC1 COc1ccccc1[*:1] Cc1nc2cc(ccc2n1C1CCCC1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)nc(C)n3C2CCCC2)CC1 C1CCC(C1)[*:1] COc1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)nc(C)n2[*:1]
O=C(/C=C/c1ccccc1)O[C@@H](c1cccc(F)c1)c1ccccn1 c1ccc(cc1)[*:1] O=C(C=C[*:1])O[C@@H](c1cccc(F)c1)c1ccccn1
O=C(/C=C/c1ccccc1)O[C@@H](c1cccc(F)c1)c1ccccn1 c1ccc(nc1)[*:1] O=C(/C=C/c1ccccc1)O[C@@H](c1cccc(F)c1)[*:1]
O=C(/C=C/c1ccccc1)O[C@@H](c1cccc(F)c1)c1ccccn1 C(=C[*:1])c1ccccc1 O=C(O[C@@H](c1cccc(F)c1)c1ccccn1)[*:1]
O=C(/C=C/c1ccccc1)O[C@@H](c1cccc(F)c1)c1ccccn1 Fc1cccc(c1)[*:1] O=C(/C=C/c1ccccc1)O[C@@H](c1ccccn1)[*:1]
CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccc(SC)cc2)C1 CSc1ccc(cc1)[*:1] CCn1cc[nH+]c1[C@H]1CCCN(C1)C(=O)C[*:1]
CC(C)c1ccc(N/N=C2/C(=O)NC(=O)N=C2[O-])cc1 CC(C)[*:1] O=C1N=C([O-])/C(=N\Nc2ccc(cc2)[*:1])C(=O)N1
C[C@H](CCO)C[NH2+]CCC(C)(C)O CC(C)(O)[*:1] C[C@H](CCO)C[NH2+]CC[*:1]
C[C@H](CCO)C[NH2+]CCC(C)(C)O OCC[*:1] C[C@H](C[NH2+]CCC(C)(C)O)[*:1]
Cc1ccc(CNS(=O)(=O)c2c(C(=O)N3CCC(C)CC3)c(C)n(C)c2C)cc1 CC1CCN(CC1)C(=O)[*:1] Cc1ccc(cc1)CNS(=O)(=O)c1c(c(C)n(C)c1C)[*:1]
Cc1ccc(CNS(=O)(=O)c2c(C(=O)N3CCC(C)CC3)c(C)n(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(C(=O)N2CCC(C)CC2)c(c(C)n1C)S(=O)(=O)NC[*:1]
Cc1ccc(CNS(=O)(=O)c2c(C(=O)N3CCC(C)CC3)c(C)n(C)c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1c(C(=O)N2CCC(C)CC2)c(c(C)n1C)S(=O)(=O)N[*:1]
COc1cc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)cc(Br)c1O NC(=O)[*:1] COc1cc(cc(Br)c1O)CN1C[C@@H](O[C@H](C)C1)[*:1]
CCOc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 CCOc1ccc(cc1)C[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N(C)[*:1]
CCOc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 CCO[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N(C)Cc1ccc(cc1)[*:1]
CCOc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 O=S(=O)(N1CCCCC1)[*:1] CCOc1ccc(cc1)CN(C)C(=O)c1ccc(C)c(c1)[*:1]
CCOc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N(C)C[*:1]
Cc1ccc(NC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCc2nc(NC(=O)N[*:1])sc2C1
COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1I Brc1ccc(cc1)[*:1] COc1ccc(/C=N\NC(=O)[*:1])cc1I
O=C1CC2(CCCC2)C(=O)N1CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C1CC2(CCCC2)C(=O)N1CN1CC[NH+](CC1)[*:1]
O=C1CC2(CCCC2)C(=O)N1CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C1CC2(CCCC2)C(=O)N1CN1CC[NH+](CC1)C[*:1]
CCOC(=O)C(=Cc1ccc(I)o1)C(=O)OCC Ic1ccc(o1)[*:1] CCOC(=O)C(=C[*:1])C(=O)OCC
CCOC(=O)C(=Cc1ccc(I)o1)C(=O)OCC CCOC(=O)[*:1] CCOC(=O)C(=Cc1ccc(I)o1)[*:1]
Cc1ccc([C@H]2COCCN2Cc2ccc(C)c([N+](=O)[O-])c2)o1 Cc1ccc(o1)[*:1] Cc1ccc(cc1[N+](=O)[O-])CN1CCOC[C@@H]1[*:1]
Cc1ccc([C@H]2COCCN2Cc2ccc(C)c([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] Cc1ccc(o1)[C@H]1COCCN1Cc1ccc(C)c(c1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)c2ccccc2)c1 CC(=O)[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])c1ccccc1
CC(=O)c1cccc(NC(=O)[C@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H](C)[*:1]
O=C(C[NH+]1CCN(C(=O)c2ccccc2SC[C@@H]2CCCO2)CC1)Nc1ccccc1Cl O=C(Nc1ccccc1Cl)[*:1] O=C(c1ccccc1SC[C@@H]1CCCO1)N1CC[NH+](CC1)C[*:1]
O=C(C[NH+]1CCN(C(=O)c2ccccc2SC[C@@H]2CCCO2)CC1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)C(=O)c1ccccc1SC[C@@H]1CCCO1)N[*:1]
O=C1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1 c1ccc(cc1)[*:1] O=C1CN(c2ccccc2N1)S(=O)(=O)[*:1]
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C1 c1ccc(cc1)C[*:1] C[C@@H]1CCCN(C1)C(=O)C1CCN(CC1)C(=O)N(C)[*:1]
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)C1CCN(CC1)C(=O)N(C)C[*:1]
O=C(NCC[NH2+][C@H]1CCCc2ccc(Br)cc21)C1CC1 O=C(N[*:1])C1CC1 Brc1ccc2CCC[C@H]([NH2+]CC[*:1])c2c1
O=C(NCC[NH2+][C@H]1CCCc2ccc(Br)cc21)C1CC1 C1CC1[*:1] O=C(NCC[NH2+][C@H]1CCCc2ccc(Br)cc21)[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)[*:1]
C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1c(F)cccc1N1CCOCC1 C1CN(CCO1)[*:1] C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1c(F)cccc1[*:1]
C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1c(F)cccc1N1CCOCC1 C1CC(CCO1)[*:1] C[C@H]([NH2+]C[C@@H](O)[*:1])c1c(F)cccc1N1CCOCC1
C[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)c1nc2c(s1)CCCC2 CS(=O)(=O)N[*:1] C[C@@H]([NH2+]CC(C)(C)[*:1])c1nc2CCCCc2s1
CCc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1 CCc1ccc(cc1)[*:1] CCn1ncc2c(cc(nc21)-c1ccccc1)C(=O)N[*:1]
CCc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)c1cc(nc2c1cnn2CC)[*:1]
NC(=O)c1ccc(OCC(=O)c2ccc(Br)s2)cc1 Brc1ccc(s1)[*:1] NC(=O)c1ccc(cc1)OCC(=O)[*:1]
NC(=O)c1ccc(OCC(=O)c2ccc(Br)s2)cc1 NC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])c1ccc(Br)s1
COc1ccccc1/C=C/C1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1 O=[N+]([O-])[*:1] COc1ccccc1/C=C/C1=N/C(=C\c2ccc(cc2)[*:1])C(=O)O1
COc1ccccc1/C=C/C1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1 COc1ccccc1[*:1] O=C1O/C(C=C[*:1])=N\C1=C/c1ccc(cc1)[N+](=O)[O-]
CCc1[nH+]cnc(N2CCCC[C@H]2C(=O)[O-])c1C O=C([O-])[*:1] CCc1[nH+]cnc(c1C)N1CCCC[C@@H]1[*:1]
CC(C)C[NH+]1CCN([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1 CC(C)[*:1] C[C@H](C(=O)NCCc1ccc2OCCOc2c1)N1CC[NH+](CC1)C[*:1]
CCc1nn(C)cc1C(=O)OC[C@H]1CC1(Cl)Cl ClC1(Cl)C[C@@H]1[*:1] CCc1nn(C)cc1C(=O)OC[*:1]
CC(=O)CCC(C)(C)C(=O)Nc1cncc2ccccc12 CC(=O)[*:1] CC(C)(CC[*:1])C(=O)Nc1cncc2ccccc12
CC(=O)CCC(C)(C)C(=O)Nc1cncc2ccccc12 CC(=O)C[*:1] CC(C)(C[*:1])C(=O)Nc1cncc2ccccc12
CC(=O)CCC(C)(C)C(=O)Nc1cncc2ccccc12 CC(=O)CC[*:1] CC(C)(C(=O)Nc1cncc2ccccc12)[*:1]
CC(C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccco1 CC(C)[*:1] O=c1[nH]c(CSc2nnc(-c3ccco3)n2[*:1])nc2ccccc12
CC(C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccco1 c1coc(c1)[*:1] CC(C)n1c(nnc1[*:1])SCc1nc2ccccc2c(=O)[nH]1
COCCSCCC(=O)Nc1nc2ccc(N)cc2s1 COCCS[*:1] Nc1ccc2nc(NC(=O)CC[*:1])sc2c1
COCCSCCC(=O)Nc1nc2ccc(N)cc2s1 COCCSC[*:1] Nc1ccc2nc(NC(=O)C[*:1])sc2c1
COCCSCCC(=O)Nc1nc2ccc(N)cc2s1 COCC[*:1] Nc1ccc2nc(NC(=O)CCS[*:1])sc2c1
COCCSCCC(=O)Nc1nc2ccc(N)cc2s1 COC[*:1] Nc1ccc2nc(NC(=O)CCSC[*:1])sc2c1
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1 O=[N+]([O-])[*:1] N#C/C(=C\c1ccc(o1)-c1ccc(cc1Cl)[*:1])C(=O)Nc1ccccc1
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1ccc(o1)-c1ccc(cc1Cl)[N+](=O)[O-])C(=O)N[*:1]
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] N#CC(=Cc1ccc(o1)-c1ccc(cc1Cl)[N+](=O)[O-])[*:1]
C[C@H](N[C@H](C)c1ccccc1Cl)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F Fc1ccc(c(F)c1F)[*:1] C[C@H](N[C@H](C)c1ccccc1Cl)C(=O)NCC(=O)N[*:1]
C[C@H](N[C@H](C)c1ccccc1Cl)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F C[C@H](c1ccccc1Cl)[*:1] C[C@H](N[*:1])C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
C[C@H](N[C@H](C)c1ccccc1Cl)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F Clc1ccccc1[*:1] C[C@H](N[C@H](C)[*:1])C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
Cc1ccc(C)c(-c2ccc(SCc3ccncc3)nn2)c1 c1cc(ccn1)C[*:1] Cc1ccc(C)c(c1)-c1ccc(nn1)S[*:1]
Cc1ccc(C)c(-c2ccc(SCc3ccncc3)nn2)c1 c1cc(ccn1)[*:1] Cc1ccc(C)c(c1)-c1ccc(nn1)SC[*:1]
COC[C@@H](C)Nc1ncnc(Nc2cccc(C)n2)c1N COC[C@@H](C)[*:1] Cc1cccc(n1)Nc1ncnc(N[*:1])c1N
COC[C@@H](C)Nc1ncnc(Nc2cccc(C)n2)c1N Cc1cccc(n1)[*:1] COC[C@@H](C)Nc1ncnc(N[*:1])c1N
COC[C@@H](C)Nc1ncnc(Nc2cccc(C)n2)c1N COC[*:1] Cc1cccc(n1)Nc1ncnc(N[C@H](C)[*:1])c1N
COC[C@@H](C)Nc1ncnc(Nc2cccc(C)n2)c1N COC[C@@H](C)N[*:1] Cc1cccc(n1)Nc1ncnc(c1N)[*:1]
CCc1nc(CC)n([C@H]2CC[C@@](CO)([NH2+]C(C)C)C2)n1 CC(C)[*:1] CCc1nc(CC)n(n1)[C@H]1CC[C@](CO)(C1)[NH2+][*:1]
Cc1[nH]c(SCC(=O)NCC(=O)N(C)C)nc1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH]c(nc1[*:1])SCC(=O)NCC(=O)N(C)C
Cc1[nH]c(SCC(=O)NCC(=O)N(C)C)nc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(nc1C[*:1])SCC(=O)NCC(=O)N(C)C
Cc1[nH]c(SCC(=O)NCC(=O)N(C)C)nc1Cc1ccccc1 CN(C)C(=O)C[*:1] Cc1[nH]c(nc1Cc1ccccc1)SCC(=O)N[*:1]
Cc1[nH]c(SCC(=O)NCC(=O)N(C)C)nc1Cc1ccccc1 CN(C)C(=O)[*:1] Cc1[nH]c(nc1Cc1ccccc1)SCC(=O)NC[*:1]
CC[C@@H](CC#N)n1c(C)nc2ccccc21 N#CC[*:1] CC[C@@H](n1c(C)nc2ccccc21)[*:1]
COC[C@H](NC(=O)C[C@H](C)c1ccccc1F)c1ccc(F)c(F)c1 COC[*:1] C[C@@H](CC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1])c1ccccc1F
COC[C@H](NC(=O)C[C@H](C)c1ccccc1F)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)C[C@H](C)c1ccccc1F)[*:1]
COC[C@H](NC(=O)C[C@H](C)c1ccccc1F)c1ccc(F)c(F)c1 Fc1ccccc1[*:1] COC[C@H](NC(=O)C[C@H](C)[*:1])c1ccc(F)c(F)c1
c1cnc(Oc2ccc(C3SCCS3)cc2)nc1 C1CSC(S1)[*:1] c1cnc(nc1)Oc1ccc(cc1)[*:1]
c1cnc(Oc2ccc(C3SCCS3)cc2)nc1 c1cnc(nc1)[*:1] c1cc(ccc1O[*:1])C1SCCS1
CC(=O)N1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 c1ccc(nc1)N[*:1] CC(=O)N1CCC[C@H](Cc2cccc(n2)[*:1])C1
CC(=O)N1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 c1ccc(nc1)[*:1] CC(=O)N1CCC[C@H](Cc2cccc(n2)N[*:1])C1
COc1cccc(CNC(=O)Cn2c(=O)n(-c3ccc(F)cc3C)c(=O)c3sccc32)c1OC COc1cccc(C[*:1])c1OC Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
COc1cccc(CNC(=O)Cn2c(=O)n(-c3ccc(F)cc3C)c(=O)c3sccc32)c1OC Cc1cc(F)ccc1[*:1] COc1cccc(CNC(=O)Cn2c(=O)n(c(=O)c3sccc32)[*:1])c1OC
COc1cccc(CNC(=O)Cn2c(=O)n(-c3ccc(F)cc3C)c(=O)c3sccc32)c1OC COc1cccc(c1OC)[*:1] Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)NC[*:1])c1=O
COc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)cc1 Clc1c[nH]c(c1)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)[*:1]
Cc1ccc(OCC(=O)NCc2ccco2)cc1C c1coc(c1)C[*:1] Cc1ccc(cc1C)OCC(=O)N[*:1]
Cc1ccc(OCC(=O)NCc2ccco2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)OCC(=O)NC[*:1]
C[C@H]1CC[C@](O)(Cc2nc(-c3ccccc3)cs2)C[C@@H]1C c1ccc(cc1)[*:1] C[C@H]1CC[C@](O)(Cc2nc(cs2)[*:1])C[C@@H]1C
CCOc1ccccc1[C@H]1C(C(=O)OC[C@@H]2CCCO2)=C(C)NC2=C1C(=O)CCC2 CCOc1ccccc1[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)OC[C@@H]1CCCO1)[*:1]
CCOc1ccccc1[C@H]1C(C(=O)OC[C@@H]2CCCO2)=C(C)NC2=C1C(=O)CCC2 CCO[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)OC[C@@H]1CCCO1)c1ccccc1[*:1]
CCOc1ccccc1[C@H]1C(C(=O)OC[C@@H]2CCCO2)=C(C)NC2=C1C(=O)CCC2 O=C(OC[C@@H]1CCCO1)[*:1] CCOc1ccccc1[C@@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
CCOc1ccccc1[C@H]1C(C(=O)OC[C@@H]2CCCO2)=C(C)NC2=C1C(=O)CCC2 C1CO[C@@H](C1)[*:1] CCOc1ccccc1[C@H]1C(C(=O)OC[*:1])=C(C)NC2CCCC(=O)C=21
CCOc1ccccc1[C@H]1C(C(=O)OC[C@@H]2CCCO2)=C(C)NC2=C1C(=O)CCC2 C1CO[C@@H](C1)C[*:1] CCOc1ccccc1[C@H]1C(C(=O)O[*:1])=C(C)NC2CCCC(=O)C=21
Cc1nc(C)c(C(=O)N2CCC[C@H](NC(=O)c3scnc3C)CC2)o1 Cc1nc(C)c(o1)[*:1] Cc1ncsc1C(=O)N[C@H]1CCCN(CC1)C(=O)[*:1]
Cc1nc(C)c(C(=O)N2CCC[C@H](NC(=O)c3scnc3C)CC2)o1 Cc1ncsc1[*:1] Cc1nc(C)c(o1)C(=O)N1CCC[C@@H](CC1)NC(=O)[*:1]
O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)CCCC2 c1ccc(nc1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc2CCCCc2c1
Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1S(=O)(=O)N(C)C Brc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)C[*:1]
Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1S(=O)(=O)N(C)C Brc1ccc(cc1)C[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)[*:1]
Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)Cc1ccc(Br)cc1
CC(C)[C@H](C[C@H]1Cc2ccccc21)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H](C[C@H]1Cc2ccccc21)[*:1]
CC(C)[C@H](C[C@H]1Cc2ccccc21)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](C[C@H]1Cc2ccccc21)[*:1]
N#C[C@@H]1C2=C(CCC2)S[C@H]1/N=C/[C@@H]1C=NN=C1c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1C2CCCC=2S[C@H]1/N=C/[C@@H]1C=NN=C1[*:1]
CN(C(=O)c1c(O)cc(F)cc1F)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CN(C(=O)c1c(O)cc(F)cc1F)C1CCN(CC1)[*:1]
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccoc2C)cc1OC Cc1occc1[*:1] COc1ccc(cc1OC)[C@@H]1c2cc(OC)c(cc2CC(=O)N1NC(=O)[*:1])OC
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccoc2C)cc1OC COc1ccc(cc1OC)[*:1] COc1cc2CC(=O)N(NC(=O)c3ccoc3C)[C@@H](c2cc1OC)[*:1]
COc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)N(C)Cc1nc(no1)[*:1]
COc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(CN(C)C(=O)[C@H](C)O[*:1])n1
COc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 COc1ccc(cc1)O[*:1] Cc1ccc(cc1)-c1noc(CN(C)C(=O)[C@H](C)[*:1])n1
C[C@@H]1CCN(C(=O)C[C@@H](C)n2cccc2)C[C@H]1O c1ccn(c1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)C[C@@H](C)[*:1]
CC[C@](C)(O)CNS(=O)(=O)c1cc(N)c(Cl)cc1C CC[C@](C)(O)C[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)N[*:1]
CC[C@](C)(O)CNS(=O)(=O)c1cc(N)c(Cl)cc1C CC[C@](C)(O)[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)NC[*:1]
CCOc1ccccc1C(=O)Nc1nn(Cc2ccccc2F)cc1Br Fc1ccccc1C[*:1] CCOc1ccccc1C(=O)Nc1nn(cc1Br)[*:1]
CCOc1ccccc1C(=O)Nc1nn(Cc2ccccc2F)cc1Br Fc1ccccc1[*:1] CCOc1ccccc1C(=O)Nc1nn(cc1Br)C[*:1]
CCOc1ccccc1C(=O)Nc1nn(Cc2ccccc2F)cc1Br CCO[*:1] O=C(Nc1nn(cc1Br)Cc1ccccc1F)c1ccccc1[*:1]
Cc1ccc(-c2noc(CN3CCN(C(=O)Cc4ccccc4Cl)CC3)n2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)-c1noc(CN2CCN(CC2)C(=O)C[*:1])n1
Cc1ccc(-c2noc(CN3CCN(C(=O)Cc4ccccc4Cl)CC3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccccc1Cl)N1CCN(CC1)Cc1nc(no1)[*:1]
Cc1ccc(-c2noc(CN3CCN(C(=O)Cc4ccccc4Cl)CC3)n2)cc1 Clc1ccccc1C[*:1] Cc1ccc(cc1)-c1noc(CN2CCN(CC2)C(=O)[*:1])n1
Cc1c(OC(=O)c2csc(-c3ncccn3)n2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])OC(=O)c1csc(n1)-c1ncccn1
Cc1c(OC(=O)c2csc(-c3ncccn3)n2)cccc1[N+](=O)[O-] c1cnc(nc1)[*:1] Cc1c(cccc1[N+](=O)[O-])OC(=O)c1csc(n1)[*:1]
CCOc1ccccc1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O CCO[*:1] O=C(CCc1ccccc1[*:1])NN1C(=O)NC2(CCCCC2)C1=O
C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C C[C@@H]1C[C@@H]1[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Nc3ccccc3)[C@@H]2C(C)C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCN(C(=O)N[*:1])[C@@H]1C(C)C
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Nc3ccccc3)[C@@H]2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCN(C(=O)Nc2ccccc2)[C@H]1[*:1]
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Nc3ccccc3)[C@@H]2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H]1N(CCCN1S(=O)(=O)[*:1])C(=O)Nc1ccccc1
O=C(CCc1cnn(-c2ccccc2)c1)Nc1cc(F)c(F)c(F)c1 c1ccc(cc1)[*:1] O=C(CCc1cnn(c1)[*:1])Nc1cc(F)c(F)c(F)c1
O=C(Cc1ccc(F)cc1)N1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 Fc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC(CC1)[C@H]1CC=CCN(Cc2ccc(F)cc2)C1=O
O=C(Cc1ccc(F)cc1)N1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 Fc1ccc(cc1)C[*:1] O=C(Cc1ccc(F)cc1)N1CCC(CC1)[C@H]1CC=CCN(C1=O)[*:1]
O=C(Cc1ccc(F)cc1)N1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 Fc1ccc(cc1)C[*:1] O=C1[C@H](CC=CCN1Cc1ccc(F)cc1)C1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccc(F)cc1)N1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 Fc1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)N1CCC(CC1)[C@H]1CC=CCN(C[*:1])C1=O
CCN1C(=O)[C@H](NC(=O)C(=O)NC[C@@H](C)O)c2cc(Br)ccc21 C[C@@H](O)C[*:1] CCN1C(=O)[C@H](NC(=O)C(=O)N[*:1])c2cc(Br)ccc21
CCN1C(=O)[C@H](NC(=O)C(=O)NC[C@@H](C)O)c2cc(Br)ccc21 C[C@@H](O)[*:1] CCN1C(=O)[C@H](NC(=O)C(=O)NC[*:1])c2cc(Br)ccc21
Cc1noc(C)c1[C@@H](C)NC(=O)NCCc1cc(F)ccc1F Cc1noc(C)c1[*:1] C[C@@H](NC(=O)NCCc1cc(F)ccc1F)[*:1]
O=C(N/N=C/c1cccc(Br)c1)c1c[nH][nH]c1=O O=c1[nH][nH]cc1[*:1] O=C(N/N=C/c1cccc(Br)c1)[*:1]
CC1CCN(C(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)CC1 N#Cc1cccc(c1)C[*:1] CC1CCN(CC1)C(=O)CNc1cccc(c1)O[*:1]
CC1CCN(C(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)CC1 CC1CCN(CC1)C(=O)[*:1] N#Cc1cccc(c1)COc1cccc(c1)NC[*:1]
CC1CCN(C(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)CC1 N#Cc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)CNc1cccc(c1)OC[*:1]
O=C(CCC(=O)N1CCC(C(=O)N2CCCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(CCC(=O)N1CCC(CC1)C(=O)N1CCCCC1)Nc1ccc(cc1)[*:1]
O=C(CCC(=O)N1CCC(C(=O)N2CCCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(CC1)C(=O)N1CCCCC1)Nc1ccc(cc1)O[*:1]
O=C(CCC(=O)N1CCC(C(=O)N2CCCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 O=C(N1CCCCC1)[*:1] O=C(CCC(=O)N1CCC(CC1)[*:1])Nc1ccc(cc1)Oc1ccccc1
O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1cccnc1)C[C@H]1CC=CCC1 Clc1ccc(cc1Cl)[*:1] O=C(N[*:1])N(Cc1cccnc1)C[C@H]1CC=CCC1
O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1cccnc1)C[C@H]1CC=CCC1 c1cncc(c1)C[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N(C[C@H]1CC=CCC1)[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1cccnc1)C[C@H]1CC=CCC1 c1cncc(c1)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N(C[C@H]1CC=CCC1)C[*:1]
Nc1ccc2c(c1)CN(C(=O)CC[C@H]1CCCO1)CC2 C1CO[C@H](C1)[*:1] Nc1ccc2CCN(Cc2c1)C(=O)CC[*:1]
Nc1ccc2c(c1)CN(C(=O)CC[C@H]1CCCO1)CC2 C1CO[C@H](C1)C[*:1] Nc1ccc2CCN(Cc2c1)C(=O)C[*:1]
FC(F)(F)Oc1cccc(CNCc2nnc3n2CCCCC3)c1 FC(F)(F)[*:1] c1cc(cc(c1)O[*:1])CNCc1nnc2CCCCCn21
FC(F)(F)Oc1cccc(CNCc2nnc3n2CCCCC3)c1 FC(F)(F)O[*:1] c1cc(cc(c1)[*:1])CNCc1nnc2CCCCCn21
C[C@@H]1C[C@H](C(F)(F)F)n2ncc(-c3nc4c5ccccc5ncn4n3)c2N1 FC(F)(F)[*:1] C[C@@H]1C[C@H](n2ncc(-c3nc4c5ccccc5ncn4n3)c2N1)[*:1]
O=C(NCC[NH+]1CCN(C(=O)COc2ccccc2)CC1)c1ccc2c(c1)OCO2 c1ccc(cc1)OC[*:1] O=C(NCC[NH+]1CCN(CC1)C(=O)[*:1])c1ccc2OCOc2c1
O=C(NCC[NH+]1CCN(C(=O)COc2ccccc2)CC1)c1ccc2c(c1)OCO2 c1ccc(cc1)O[*:1] O=C(NCC[NH+]1CCN(CC1)C(=O)C[*:1])c1ccc2OCOc2c1
O=C(NCC[NH+]1CCN(C(=O)COc2ccccc2)CC1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(COc1ccccc1)N1CC[NH+](CCNC(=O)[*:1])CC1
O=C(NCC[NH+]1CCN(C(=O)COc2ccccc2)CC1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)C(=O)CO[*:1])c1ccc2OCOc2c1
Cc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Br)cc23)c1C Cc1cccc(c1C)[*:1] C[C@]12C[C@H](NC(=O)N1[*:1])c1cc(Br)ccc1O2
Cc1nc(C[NH+]2CCC(NC(N)=O)CC2)no1 NC(=O)N[*:1] Cc1nc(C[NH+]2CCC(CC2)[*:1])no1
N#CC1(NC(=O)COc2ccc(-c3nnco3)cc2)CCCCCC1 c1nnc(o1)[*:1] N#CC1(CCCCCC1)NC(=O)COc1ccc(cc1)[*:1]
CC(=O)NCc1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1 CC(=O)NC[*:1] c1cc2c(cc1-c1noc(n1)[*:1])nnn2C1CCCC1
CC(=O)NCc1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1 CC(=O)N[*:1] c1cc2c(cc1-c1noc(C[*:1])n1)nnn2C1CCCC1
CC(=O)NCc1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1 C1CCC(C1)[*:1] CC(=O)NCc1nc(no1)-c1ccc2c(c1)nnn2[*:1]
CCOc1ccc(-c2cc(O)cc(C(F)(F)F)c2)c(C)c1 CCO[*:1] Cc1cc(ccc1-c1cc(O)cc(c1)C(F)(F)F)[*:1]
CCOc1ccc(-c2cc(O)cc(C(F)(F)F)c2)c(C)c1 FC(F)(F)[*:1] CCOc1ccc(-c2cc(O)cc(c2)[*:1])c(C)c1
CC(C)N(C[C@H]1CCCCO1)C(=O)CCSc1ccc(C#N)cc1 C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)CCSc1ccc(C#N)cc1
CC(C)N(C[C@H]1CCCCO1)C(=O)CCSc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)CCS[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)CCSc1ccc(C#N)cc1 CC(C)[*:1] N#Cc1ccc(cc1)SCCC(=O)N(C[C@H]1CCCCO1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)CCSc1ccc(C#N)cc1 C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)CCSc1ccc(C#N)cc1)[*:1]
CC(C)(C)OC(=O)c1ccc(C(=O)NC2CC=CC2)cc1 CC(C)(C)[*:1] O=C(NC1CC=CC1)c1ccc(cc1)C(=O)O[*:1]
CC(C)(C)OC(=O)c1ccc(C(=O)NC2CC=CC2)cc1 CC(C)(C)OC(=O)[*:1] O=C(NC1CC=CC1)c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 CC(=O)N[*:1] O=C(/C=C/c1ccc(cc1)C(F)(F)F)c1ccc(cc1)CC[*:1]
CC(=O)NCCc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 CC(=O)NCC[*:1] O=C(/C=C/c1ccc(cc1)C(F)(F)F)c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] CC(=O)NCCc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 CC(=O)NC[*:1] O=C(/C=C/c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C[*:1]
CCOC(=O)CNC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C Cc1ccccc1C[*:1] CCOC(=O)CNC(=O)Nc1c(C)nn(c1C)[*:1]
CCOC(=O)CNC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C CCOC(=O)[*:1] Cc1ccccc1Cn1nc(C)c(NC(=O)NC[*:1])c1C
CCOC(=O)CNC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C CCOC(=O)C[*:1] Cc1ccccc1Cn1nc(C)c(NC(=O)N[*:1])c1C
CCOC(=O)CNC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C Cc1ccccc1[*:1] CCOC(=O)CNC(=O)Nc1c(C)nn(C[*:1])c1C
COc1ccc2c(c1)[C@@H](NCC(=O)NC(C)C)CC2 CC(C)[*:1] COc1ccc2CC[C@H](NCC(=O)N[*:1])c2c1
COc1ccc2c(c1)[C@@H](NCC(=O)NC(C)C)CC2 CC(C)NC(=O)[*:1] COc1ccc2CC[C@H](NC[*:1])c2c1
CNC(=O)[C@H](NC(=O)CCc1ccc(C)o1)c1ccc(F)c(F)c1 Cc1ccc(CC[*:1])o1 CNC(=O)[C@H](NC(=O)[*:1])c1ccc(F)c(F)c1
CNC(=O)[C@H](NC(=O)CCc1ccc(C)o1)c1ccc(F)c(F)c1 Cc1ccc(C[*:1])o1 CNC(=O)[C@H](NC(=O)C[*:1])c1ccc(F)c(F)c1
CNC(=O)[C@H](NC(=O)CCc1ccc(C)o1)c1ccc(F)c(F)c1 CNC(=O)[*:1] Cc1ccc(CCC(=O)N[C@H](c2ccc(F)c(F)c2)[*:1])o1
CNC(=O)[C@H](NC(=O)CCc1ccc(C)o1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CNC(=O)[C@H](NC(=O)CCc1ccc(C)o1)[*:1]
CNC(=O)[C@H](NC(=O)CCc1ccc(C)o1)c1ccc(F)c(F)c1 Cc1ccc(o1)[*:1] CNC(=O)[C@H](NC(=O)CC[*:1])c1ccc(F)c(F)c1
O=C(Nn1cnc2ccccc21)c1ccc(-c2cnco2)cc1 c1ncc(o1)[*:1] O=C(Nn1cnc2ccccc21)c1ccc(cc1)[*:1]
Cc1c(Cl)c(-c2nnc(S)n2C2CC2)nn1C C1CC1[*:1] Cc1c(Cl)c(nn1C)-c1nnc(S)n1[*:1]
CCCC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c23)CCCC4)CC1 CCC[*:1] CC[C@H](C)c1nc(c2c3CCCCc3sc2n1)N1CCN(CC1)C(=O)[*:1]
COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cc(C(F)(F)F)n[nH]3)C2)CC1 COc1ccccc1[*:1] O=C(c1cc(n[nH]1)C(F)(F)F)N1CCC[C@@H](C1)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cc(C(F)(F)F)n[nH]3)C2)CC1 FC(F)(F)[*:1] COc1ccccc1N1CCN(CC1)[C@H]1CCCN(C1)C(=O)c1cc(n[nH]1)[*:1]
C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](NC(=O)c1ccc2OCOc2c1)c1cccc(c1)[*:1]
CS[C@@H]1CCC[C@@H]1NC(=O)N(C)CCN1CCOCC1 C1CN(CCO1)[*:1] CS[C@@H]1CCC[C@@H]1NC(=O)N(C)CC[*:1]
N#Cc1csc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 C1CO[C@H](C1)[*:1] N#Cc1csc(c1)C(=O)Nc1cnn(c1)C[*:1]
N#Cc1csc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 N#Cc1csc(c1)[*:1] O=C(Nc1cnn(c1)C[C@H]1CCCO1)[*:1]
N#Cc1csc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 C1CO[C@H](C1)C[*:1] N#Cc1csc(c1)C(=O)Nc1cnn(c1)[*:1]
O=c1oc2ccccc2n1CN1CCO[C@@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=c1oc2ccccc2n1CN1CCO[C@@H](C1)[*:1]
Cc1noc(C)c1C(=O)N1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 Cc1noc(C)c1[*:1] O=C(N1CC[NH+](CC1)Cc1nnnn1-c1ccccc1)[*:1]
Cc1noc(C)c1C(=O)N1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1noc(C)c1C(=O)N1CC[NH+](CC1)Cc1nnnn1[*:1]
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 O=[N+]([O-])[*:1] O=C(NNC(=O)c1cc(ccc1Cl)[*:1])c1cccc(Cl)c1
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NNC(=O)[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
Cc1nccn1-c1cncc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 Cc1nccn1[*:1] c1ncc(nc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[*:1]
CCc1noc(CN(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2C)n1 CCc1noc(n1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C[*:1])C(F)(F)F
CCc1noc(CN(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2C)n1 FC(F)(F)[*:1] CCc1noc(CN(C)S(=O)(=O)c2cc(ccc2C)[*:1])n1
CCc1noc(CN(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2C)n1 CCc1noc(C[*:1])n1 Cc1ccc(cc1S(=O)(=O)N(C)[*:1])C(F)(F)F
CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)[O-] CC[C@H](C)[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])[C@@H]1CCCN1C(=O)C1CC1
CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)[O-] C1CC1[*:1] CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[*:1])C(=O)[O-]
CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)[*:1]
N#CCCN(CCC(F)(F)F)C1CCCCCC1 FC(F)(F)[*:1] N#CCCN(CC[*:1])C1CCCCCC1
N#CCCN(CCC(F)(F)F)C1CCCCCC1 FC(F)(F)C[*:1] N#CCCN(C[*:1])C1CCCCCC1
N#CCCN(CCC(F)(F)F)C1CCCCCC1 N#CC[*:1] FC(F)(F)CCN(C[*:1])C1CCCCCC1
N#CCCN(CCC(F)(F)F)C1CCCCCC1 FC(F)(F)CC[*:1] N#CCCN(C1CCCCCC1)[*:1]
N#CCCN(CCC(F)(F)F)C1CCCCCC1 N#CCC[*:1] FC(F)(F)CCN(C1CCCCCC1)[*:1]
Cc1cccc(CS(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] O=S(=O)(C[*:1])NC[C@@H](c1cccs1)N1CCOCC1
Cc1cccc(CS(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 c1csc(c1)[*:1] Cc1cccc(c1)CS(=O)(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1cccc(CS(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)CS(=O)(=O)NC[C@@H](c1cccs1)[*:1]
Cc1cccc(CS(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 Cc1cccc(c1)C[*:1] O=S(=O)(NC[C@@H](c1cccs1)N1CCOCC1)[*:1]
O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2cnc3ccccc3n2)C1 Clc1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1cnc2ccccc2n1
O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2cnc3ccccc3n2)C1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1cnc2ccccc2n1
CCCCOc1cccc(Cl)c1C[NH2+]C1CC1 C1CC1[*:1] CCCCOc1cccc(Cl)c1C[NH2+][*:1]
CCCCOc1cccc(Cl)c1C[NH2+]C1CC1 CCC[*:1] Clc1cccc(OC[*:1])c1C[NH2+]C1CC1
CCCCOc1cccc(Cl)c1C[NH2+]C1CC1 CCCCO[*:1] Clc1cccc(c1C[NH2+]C1CC1)[*:1]
CCCCOc1cccc(Cl)c1C[NH2+]C1CC1 CCCC[*:1] Clc1cccc(O[*:1])c1C[NH2+]C1CC1
O=C(N[C@@H]1CCSc2ccccc21)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] O=C(N[C@@H]1CCSc2ccccc21)c1ccc(cc1)[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccoc1C Cc1occc1[*:1] C=CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1ccccc1
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccoc1C c1ccc(cc1)[*:1] C=CCn1c(nnc1-c1ccoc1C)S[C@H](C)C(=O)N[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccoc1C C=CC[*:1] Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1[*:1]
CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1I CCC[*:1] CN(C(=O)c1cc(ccc1I)[N+](=O)[O-])[*:1]
CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1I O=[N+]([O-])[*:1] CCCN(C)C(=O)c1cc(ccc1I)[*:1]
Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CCC[C@H](C)CC1 c1cnc(nc1)[*:1] Cc1cc(ccc1NC(=O)N1CCC[C@H](C)CC1)O[*:1]
Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CCC[C@H](C)CC1 c1cnc(nc1)O[*:1] Cc1cc(ccc1NC(=O)N1CCC[C@H](C)CC1)[*:1]
COC(=O)CN(C(=O)c1ccccc1C)C1CCCC1 COC(=O)C[*:1] Cc1ccccc1C(=O)N(C1CCCC1)[*:1]
COC(=O)CN(C(=O)c1ccccc1C)C1CCCC1 COC(=O)[*:1] Cc1ccccc1C(=O)N(C[*:1])C1CCCC1
COC(=O)CN(C(=O)c1ccccc1C)C1CCCC1 C1CCC(C1)[*:1] COC(=O)CN(C(=O)c1ccccc1C)[*:1]
CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(Br)c2)[C@H](C#N)C(=O)N3)CC1 CC1CCN(CC1)[*:1] N#C[C@@H]1C(=O)Nc2nc([nH]c(=O)c2[C@@H]1c1cccc(Br)c1)[*:1]
CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(Br)c2)[C@H](C#N)C(=O)N3)CC1 Brc1cccc(c1)[*:1] CC1CCN(CC1)c1nc2NC(=O)[C@@H](C#N)[C@@H](c2c(=O)[nH]1)[*:1]
Cc1cc(C(F)(F)F)nn1CC(=O)NN1C(=O)c2ccccc2C1=O FC(F)(F)[*:1] Cc1cc(nn1CC(=O)NN1C(=O)c2ccccc2C1=O)[*:1]
Cc1sc2nc(/C(=C\c3cc(Cl)c4c(c3)OCCO4)C(=O)N3CCCC3)[nH]c(=O)c2c1C O=C(N1CCCC1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)C(=Cc1cc(Cl)c2OCCOc2c1)[*:1]
Cc1ccc([C@@H](NC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C)[*:1]
Cc1ccc([C@@H](NC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)C2CC2)cc1 Cc1nn(C)c(C)c1[*:1] Cc1ccc(cc1)[C@@H](NC(=O)N[C@H](C)C[*:1])C1CC1
Cc1ccc([C@@H](NC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)C2CC2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@@H](C1CC1)[*:1]
O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)[C@@H]1CCCS1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1Cc1cnn(c1)[*:1])[C@@H]1CCCS1
CCc1ccsc1CNC(=O)CN1C(=O)c2ccccc2C1=O CCc1ccsc1[*:1] O=C(CN1C(=O)c2ccccc2C1=O)NC[*:1]
CN(Cc1cnn(C)c1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl Cn1cc(cn1)C[*:1] CN(S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)[*:1]
CN(Cc1cnn(C)c1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl Cn1cc(cn1)[*:1] CN(C[*:1])S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
COc1cccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@H](C)N(S(C)(=O)=O)[*:1]
COc1cccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 COc1cccc(c1)[*:1] C[C@@H](C(=O)N[*:1])N(c1ccc(Cl)cc1)S(C)(=O)=O
C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)C1 O=C1CCCN1[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)Nc1ccc(c(F)c1)[*:1]
O=C(NCCc1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl O=[N+]([O-])[*:1] O=C(NCCc1ccccc1[*:1])c1c(Cl)cccc1Cl
Cc1ccc2cccc(Oc3ncnc(Oc4ccc(C)c(C)c4)c3[N+](=O)[O-])c2n1 Cc1ccc(cc1C)O[*:1] Cc1ccc2cccc(Oc3ncnc(c3[N+](=O)[O-])[*:1])c2n1
Cc1ccc2cccc(Oc3ncnc(Oc4ccc(C)c(C)c4)c3[N+](=O)[O-])c2n1 O=[N+]([O-])[*:1] Cc1ccc2cccc(Oc3ncnc(Oc4ccc(C)c(C)c4)c3[*:1])c2n1
Cc1ccc2cccc(Oc3ncnc(Oc4ccc(C)c(C)c4)c3[N+](=O)[O-])c2n1 Cc1ccc(cc1C)[*:1] Cc1ccc2cccc(Oc3ncnc(O[*:1])c3[N+](=O)[O-])c2n1
CCc1ccc(CC/C([O-])=N/S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)CC/C([O-])=N/S(=O)(=O)[*:1]
CCN(Cc1ccccc1Cl)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 Clc1ccccc1C[*:1] CCN(C(=O)N[C@H]1CCN(C1)CC(F)(F)F)[*:1]
CCN(Cc1ccccc1Cl)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] CCN(Cc1ccccc1Cl)C(=O)N[C@H]1CCN(C1)C[*:1]
CCN(Cc1ccccc1Cl)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] CCN(Cc1ccccc1Cl)C(=O)N[C@H]1CCN(C1)[*:1]
CCN(Cc1ccccc1Cl)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 Clc1ccccc1[*:1] CCN(C[*:1])C(=O)N[C@H]1CCN(C1)CC(F)(F)F
O=C(c1cncc(OC2CCCC2)c1)N1Cc2nn3nccnc3c2C1 C1CCC(C1)O[*:1] O=C(c1cncc(c1)[*:1])N1Cc2nn3nccnc3c2C1
O=C(c1cncc(OC2CCCC2)c1)N1Cc2nn3nccnc3c2C1 C1CCC(C1)[*:1] O=C(c1cncc(c1)O[*:1])N1Cc2nn3nccnc3c2C1
Cc1cccc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n1 O=C([O-])[*:1] Cc1cccc(n1)NS(=O)(=O)Cc1ccc(cc1)[*:1]
Cc1cccc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n1 Cc1cccc(n1)[*:1] O=C([O-])c1ccc(cc1)CS(=O)(=O)N[*:1]
CCN1C[C@H](C(=O)N(Cc2cccs2)Cc2cccs2)CC1=O c1csc(c1)[*:1] CCN1C[C@@H](CC1=O)C(=O)N(Cc1cccs1)C[*:1]
CCN1C[C@H](C(=O)N(Cc2cccs2)Cc2cccs2)CC1=O c1csc(c1)C[*:1] CCN1C[C@@H](CC1=O)C(=O)N(Cc1cccs1)[*:1]
C[C@H]1CC=CC[C@@H]1COCCOCCS SCC[*:1] C[C@H]1CC=CC[C@@H]1COCCO[*:1]
C[C@H]1CC=CC[C@@H]1COCCOCCS SCCO[*:1] C[C@H]1CC=CC[C@@H]1COCC[*:1]
C[C@H]1CC=CC[C@@H]1COCCOCCS SCCOC[*:1] C[C@H]1CC=CC[C@@H]1COC[*:1]
O=C([O-])CCCC(=O)N1CCN(c2ncccn2)CC1 O=C([O-])CCC[*:1] O=C(N1CCN(CC1)c1ncccn1)[*:1]
O=C([O-])CCCC(=O)N1CCN(c2ncccn2)CC1 O=C([O-])CC[*:1] O=C(C[*:1])N1CCN(CC1)c1ncccn1
O=C([O-])CCCC(=O)N1CCN(c2ncccn2)CC1 O=C([O-])[*:1] O=C(CCC[*:1])N1CCN(CC1)c1ncccn1
O=C([O-])CCCC(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C([O-])CCCC(=O)N1CCN(CC1)[*:1]
O=C([O-])CCCC(=O)N1CCN(c2ncccn2)CC1 O=C([O-])C[*:1] O=C(CC[*:1])N1CCN(CC1)c1ncccn1
CCOc1ccc(NC(=O)CN2CC[NH+]([C@@H]3CC[C@H](CC)C3)CC2)cc1 CCO[*:1] CC[C@H]1CC[C@H](C1)[NH+]1CCN(CC1)CC(=O)Nc1ccc(cc1)[*:1]
CCOc1cc(NC(C)=O)ccc1C(=O)NC[C@@H]1CN(C(C)=O)CCO1 CC(=O)N[*:1] CCOc1cc(ccc1C(=O)NC[C@@H]1CN(CCO1)C(C)=O)[*:1]
CCOc1cc(NC(C)=O)ccc1C(=O)NC[C@@H]1CN(C(C)=O)CCO1 CCO[*:1] CC(=O)Nc1ccc(C(=O)NC[C@@H]2CN(CCO2)C(C)=O)c(c1)[*:1]
Cn1cc(C(=O)NC[C@H]2CCCc3ccccc32)c(C(F)(F)F)n1 FC(F)(F)[*:1] Cn1cc(C(=O)NC[C@H]2CCCc3ccccc32)c(n1)[*:1]
COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)Cn1cccnc1=O)cn2C O=c1ncccn1C[*:1] COc1ccc2c(c1)c(cn2C)-c1nc(C)ncc1CNC(=O)[*:1]
COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)Cn1cccnc1=O)cn2C O=c1ncccn1[*:1] COc1ccc2c(c1)c(cn2C)-c1nc(C)ncc1CNC(=O)C[*:1]
CC[C@@H](C(=O)Nc1ccccc1C(=O)N(CC)CC)N1C(=O)c2ccccc2C1=O CCN(CC)C(=O)[*:1] CC[C@@H](C(=O)Nc1ccccc1[*:1])N1C(=O)c2ccccc2C1=O
CCCc1noc([C@@H]2CCCCN2C(=O)Cn2nc(C)cc2C)n1 CCC[*:1] Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2nc(no2)[*:1])n1
CCCc1noc([C@@H]2CCCCN2C(=O)Cn2nc(C)cc2C)n1 Cc1cc(C)n(n1)[*:1] CCCc1noc(n1)[C@@H]1CCCCN1C(=O)C[*:1]
CCCc1noc([C@@H]2CCCCN2C(=O)Cn2nc(C)cc2C)n1 Cc1cc(C)n(C[*:1])n1 CCCc1noc(n1)[C@@H]1CCCCN1C(=O)[*:1]
CCCc1noc([C@@H]2CCCCN2C(=O)Cn2nc(C)cc2C)n1 CCCc1noc(n1)[*:1] Cc1cc(C)n(CC(=O)N2CCCC[C@H]2[*:1])n1
COC(=O)/C(C#N)=C\c1cccc2c1OCCCO2 COC(=O)[*:1] N#CC(=Cc1cccc2OCCCOc12)[*:1]
CCc1ccc(OCC(=O)NNC(=O)c2ccc(C(C)C)cc2)cc1 CCc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)C(=O)NNC(=O)CO[*:1]
CCc1ccc(OCC(=O)NNC(=O)c2ccc(C(C)C)cc2)cc1 CC(C)[*:1] CCc1ccc(cc1)OCC(=O)NNC(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1ccccc1N(C)C(=O)Cc1ccon1 c1cc(no1)[*:1] CCOC(=O)c1ccccc1N(C)C(=O)C[*:1]
CCOC(=O)c1ccccc1N(C)C(=O)Cc1ccon1 CCOC(=O)[*:1] CN(C(=O)Cc1ccon1)c1ccccc1[*:1]
CCOC(=O)c1ccccc1N(C)C(=O)Cc1ccon1 c1cc(C[*:1])no1 CCOC(=O)c1ccccc1N(C)C(=O)[*:1]
CCOc1cccc2cc(C(=O)Nc3sc4c(c3C(=O)NC(=O)OC)CCCCC4)oc12 COC(=O)NC(=O)[*:1] CCOc1cccc2cc(oc12)C(=O)Nc1sc2CCCCCc2c1[*:1]
CCOc1cccc2cc(C(=O)Nc3sc4c(c3C(=O)NC(=O)OC)CCCCC4)oc12 CCO[*:1] COC(=O)NC(=O)c1c(NC(=O)c2cc3cccc(c3o2)[*:1])sc2CCCCCc21
C[C@H](CNC(=O)N1CCC(OCc2ccc(F)cc2)CC1)[S@@](C)=O Fc1ccc(cc1)C[*:1] C[C@H](CNC(=O)N1CCC(CC1)O[*:1])[S@@](C)=O
C[C@H](CNC(=O)N1CCC(OCc2ccc(F)cc2)CC1)[S@@](C)=O Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CCC(CC1)OC[*:1])[S@@](C)=O
CCn1c(CCC(=O)NCc2cccc(F)c2)nc2ccccc2c1=O Fc1cccc(c1)C[*:1] CCn1c(CCC(=O)N[*:1])nc2ccccc2c1=O
CCn1c(CCC(=O)NCc2cccc(F)c2)nc2ccccc2c1=O Fc1cccc(c1)[*:1] CCn1c(CCC(=O)NC[*:1])nc2ccccc2c1=O
Cc1cc(=O)c(C(=O)/N=c2\[nH]c3ccccc3n2-c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(=O)c(nn1-c1ccccc1[*:1])C(=O)/N=c1\[nH]c2ccccc2n1-c1ccccc1
Cc1cc(=O)c(C(=O)/N=c2\[nH]c3ccccc3n2-c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)/N=c1\[nH]c2ccccc2n1-c1ccccc1
Cc1cc(=O)c(C(=O)/N=c2\[nH]c3ccccc3n2-c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1[N+](=O)[O-])C(=O)/N=c1\[nH]c2ccccc2n1[*:1]
COCc1nc(CNc2cc(C[S@](C)=O)ccc2Cl)cs1 COC[*:1] C[S@](=O)Cc1ccc(Cl)c(c1)NCc1csc(n1)[*:1]
COCc1nc(CNc2cc(C[S@](C)=O)ccc2Cl)cs1 C[S@](=O)C[*:1] COCc1nc(cs1)CNc1cc(ccc1Cl)[*:1]
C[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc3nnnn3n2)CC1 Clc1ccc(cc1)[*:1] C[C@H](N1CCN(CC1)c1ccc2nnnn2n1)[*:1]
CN(C(=O)NCCCS(=O)(=O)c1ccccc1)[C@@H]1CCc2ccccc21 c1ccc(cc1)[*:1] CN(C(=O)NCCCS(=O)(=O)[*:1])[C@@H]1CCc2ccccc21
O=C(NNC(=O)c1cccnc1O)c1cc2c(s1)CCCC2 Oc1ncccc1[*:1] O=C(NNC(=O)[*:1])c1cc2CCCCc2s1
CC(C)c1nnc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)s1 CC(C)[*:1] O=C(Nc1nnc(s1)[*:1])[C@H]1CCCCN1C(=O)c1ccccc1
CC(C)c1nnc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)s1 CC(C)c1nnc(s1)[*:1] O=C(N[*:1])[C@H]1CCCCN1C(=O)c1ccccc1
CC(C)c1nnc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)c1nnc(NC(=O)[C@H]2CCCCN2C(=O)[*:1])s1
C/C(=C\C(=O)c1cccnc1)Nc1ccc(Cl)cc1Br c1cncc(c1)[*:1] C/C(=C\C(=O)[*:1])Nc1ccc(Cl)cc1Br
CCOCCCNC(=O)/C(C#N)=C\C1=Cc2ccccc2O[C@@H]1C CCO[*:1] C[C@H]1Oc2ccccc2C=C1/C=C(/C#N)C(=O)NCCC[*:1]
CCOCCCNC(=O)/C(C#N)=C\C1=Cc2ccccc2O[C@@H]1C CCOC[*:1] C[C@H]1Oc2ccccc2C=C1/C=C(/C#N)C(=O)NCC[*:1]
CCOCCCNC(=O)/C(C#N)=C\C1=Cc2ccccc2O[C@@H]1C CCOCC[*:1] C[C@H]1Oc2ccccc2C=C1/C=C(/C#N)C(=O)NC[*:1]
CCOCCCNC(=O)/C(C#N)=C\C1=Cc2ccccc2O[C@@H]1C CCOCCC[*:1] C[C@H]1Oc2ccccc2C=C1/C=C(/C#N)C(=O)N[*:1]
Cc1ccc(OCC(=O)N(C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OCC(=O)N(C)Cc2cnn(C)c2)c(c1)[*:1]
Cc1ccc(OCC(=O)N(C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 Cn1cc(cn1)C[*:1] Cc1ccc(OCC(=O)N(C)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(OCC(=O)N(C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 Cn1cc(cn1)[*:1] Cc1ccc(OCC(=O)N(C)C[*:1])c(c1)[N+](=O)[O-]
O=[N+]([O-])c1cnn(CCNCc2nc3c(s2)CCC3)c1 O=[N+]([O-])[*:1] c1nn(cc1[*:1])CCNCc1nc2CCCc2s1
O=C(NC12CC3CC(CC(C3)C1)C2)c1csc(-c2cnccn2)n1 c1cnc(cn1)[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)c1csc(n1)[*:1]
Cc1ccccc1C(=O)NC1CCN(C(=O)CSCc2ccco2)CC1 c1coc(c1)[*:1] Cc1ccccc1C(=O)NC1CCN(CC1)C(=O)CSC[*:1]
Cc1ccccc1C(=O)NC1CCN(C(=O)CSCc2ccco2)CC1 c1coc(c1)CS[*:1] Cc1ccccc1C(=O)NC1CCN(CC1)C(=O)C[*:1]
Cc1ccccc1C(=O)NC1CCN(C(=O)CSCc2ccco2)CC1 c1coc(c1)C[*:1] Cc1ccccc1C(=O)NC1CCN(CC1)C(=O)CS[*:1]
Cc1ccccc1C(=O)NC1CCN(C(=O)CSCc2ccco2)CC1 Cc1ccccc1[*:1] O=C(CSCc1ccco1)N1CCC(CC1)NC(=O)[*:1]
Cc1ccccc1C(=O)NC1CCN(C(=O)CSCc2ccco2)CC1 c1coc(c1)CSC[*:1] Cc1ccccc1C(=O)NC1CCN(CC1)C(=O)[*:1]
O=C(NCc1nc[nH]n1)c1csc(C#CCO)c1 c1nc(C[*:1])n[nH]1 O=C(N[*:1])c1csc(C#CCO)c1
O=C(NCc1nc[nH]n1)c1csc(C#CCO)c1 c1nc(n[nH]1)[*:1] O=C(NC[*:1])c1csc(C#CCO)c1
O=C(NCc1nc[nH]n1)c1csc(C#CCO)c1 OCC#C[*:1] O=C(NCc1nc[nH]n1)c1csc(c1)[*:1]
COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(SC)cc1 COCCOC(=O)[*:1] CSc1ccc(cc1)[C@@H]1NC(=O)NC(C)=C1[*:1]
COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(SC)cc1 COC[*:1] CSc1ccc(cc1)[C@@H]1NC(=O)NC(C)=C1C(=O)OC[*:1]
COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(SC)cc1 COCC[*:1] CSc1ccc(cc1)[C@@H]1NC(=O)NC(C)=C1C(=O)O[*:1]
Cc1ccccc1[C@@H]1CN(C(=O)NCCCn2cccn2)[C@H](C)CO1 c1cnn(c1)[*:1] Cc1ccccc1[C@@H]1CN(C(=O)NCCC[*:1])[C@H](C)CO1
Cc1ccccc1[C@@H]1CN(C(=O)NCCCn2cccn2)[C@H](C)CO1 c1cnn(c1)C[*:1] Cc1ccccc1[C@@H]1CN(C(=O)NCC[*:1])[C@H](C)CO1
Cc1ccccc1[C@@H]1CN(C(=O)NCCCn2cccn2)[C@H](C)CO1 c1cnn(c1)CC[*:1] Cc1ccccc1[C@@H]1CN(C(=O)NC[*:1])[C@H](C)CO1
Cc1ccccc1[C@@H]1CN(C(=O)NCCCn2cccn2)[C@H](C)CO1 c1cnn(c1)CCC[*:1] Cc1ccccc1[C@@H]1CN(C(=O)N[*:1])[C@H](C)CO1
Cc1ccccc1[C@@H]1CN(C(=O)NCCCn2cccn2)[C@H](C)CO1 Cc1ccccc1[*:1] C[C@@H]1CO[C@@H](CN1C(=O)NCCCn1cccn1)[*:1]
CC[C@@H](C)c1ccccc1NC(=O)C1CC1 CC[C@@H](C)[*:1] O=C(Nc1ccccc1[*:1])C1CC1
CC[C@@H](C)c1ccccc1NC(=O)C1CC1 C1CC1[*:1] CC[C@@H](C)c1ccccc1NC(=O)[*:1]
CCC(C)(C)NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 CCC(C)(C)NC(=O)[*:1] O=S(=O)(c1ccc(C=C[*:1])cc1)N1CCCCCC1
CCC(C)(C)NC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 CCC(C)(C)[*:1] O=C(/C=C/c1ccc(cc1)S(=O)(=O)N1CCCCCC1)N[*:1]
O=C(Cn1cnc2sccc2c1=O)Nc1nc(-c2ccccc2Cl)cs1 Clc1ccccc1[*:1] O=C(Cn1cnc2sccc2c1=O)Nc1nc(cs1)[*:1]
O=C(Nc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1)C1CC1 O=C(N[*:1])C1CC1 O=C(Nc1ccc(cc1)[*:1])N1CCC[C@@H](CC1)c1ccccc1
O=C(Nc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1)C1CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)NC(=O)N1CCC[C@H](CC1)[*:1])C1CC1
O=C(Nc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1)C1CC1 C1CC1[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])N1CCC[C@@H](CC1)c1ccccc1
CC1=NO[C@@H]2NC(=O)C[C@H]([C@@H]3C=NN=C3c3ccc(C)cc3)[C@@H]12 Cc1ccc(cc1)[*:1] CC1=NO[C@@H]2NC(=O)C[C@@H]([C@@H]12)[C@@H]1C=NN=C1[*:1]
CCC[NH2+]Cc1cnn([C@@H]2CCOC3(CCCC3)C2)c1 CCC[*:1] c1nn(cc1C[NH2+][*:1])[C@@H]1CCOC2(CCCC2)C1
CCN(CC)C(=O)N1CCC[C@H]1c1nc(-c2ccncc2)n[nH]1 c1cc(ccn1)[*:1] CCN(CC)C(=O)N1CCC[C@H]1c1nc(n[nH]1)[*:1]
CC(C)c1n[nH]c(NC(=O)[C@H]2CCCN(c3ncccn3)C2)n1 c1cnc(nc1)[*:1] CC(C)c1n[nH]c(n1)NC(=O)[C@H]1CCCN(C1)[*:1]
CC(C)c1n[nH]c(NC(=O)[C@H]2CCCN(c3ncccn3)C2)n1 CC(C)[*:1] O=C(Nc1nc(n[nH]1)[*:1])[C@H]1CCCN(C1)c1ncccn1
Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3c[n+](CC(N)=O)ccn23)cc1 NC(=O)C[*:1] Cc1ccc(cc1)Nc1c(nc2c[n+](ccn12)[*:1])-c1ccc(cc1)N1CCOCC1
Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3c[n+](CC(N)=O)ccn23)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)Nc1c(nc2c[n+](ccn12)CC(N)=O)-c1ccc(cc1)[*:1]
Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3c[n+](CC(N)=O)ccn23)cc1 Cc1ccc(cc1)N[*:1] NC(=O)C[n+]1ccn2c(c(nc2c1)-c1ccc(cc1)N1CCOCC1)[*:1]
Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3c[n+](CC(N)=O)ccn23)cc1 Cc1ccc(cc1)[*:1] NC(=O)C[n+]1ccn2c(N[*:1])c(nc2c1)-c1ccc(cc1)N1CCOCC1
Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3c[n+](CC(N)=O)ccn23)cc1 NC(=O)[*:1] Cc1ccc(cc1)Nc1c(nc2c[n+](ccn12)C[*:1])-c1ccc(cc1)N1CCOCC1
CC(=O)c1ccc(NC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@H](C)c1nc2ccccc2[nH]1
CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1CCOC2(CCCCC2)C1 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)N[C@H]1CCOC2(CCCCC2)C1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1CCOC2(CCCCC2)C1 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)N[C@H]1CCOC2(CCCCC2)C1
CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1CCOC2(CCCCC2)C1 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)N[C@H]1CCOC2(CCCCC2)C1)C[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](COc2nsc3ccccc23)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](COc2nsc3ccccc23)C1
CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(OC)c1 CCC[*:1] COc1cccc(c1)[C@H]1NC2(CCCCC2)C(=O)N1[*:1]
CCOC(=O)/C(C#N)=C/c1ccc(OC)c(F)c1 CCOC(=O)[*:1] COc1ccc(C=C(C#N)[*:1])cc1F
CN[C@]1(C#N)CCC[C@H]1CCn1cncn1 c1ncn(n1)[*:1] CN[C@]1(C#N)CCC[C@H]1CC[*:1]
CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1cccs1 C1CCCC(CC1)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1cccs1
CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)NC1CCCCCC1)S(=O)(=O)[*:1]
N#CCc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccc(F)cc32)cc1 N#CC[*:1] O=S(=O)(N[C@@H]1CCCc2ccc(F)cc21)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2I)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)NC(=O)c1cc(ccc1I)[*:1]
Cc1[nH]c2c(C(=O)NCc3ccccc3)c(C)sc2c1C c1ccc(cc1)[*:1] Cc1[nH]c2c(C(=O)NC[*:1])c(C)sc2c1C
Cc1[nH]c2c(C(=O)NCc3ccccc3)c(C)sc2c1C c1ccc(cc1)C[*:1] Cc1[nH]c2c(C(=O)N[*:1])c(C)sc2c1C
Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3C)n2)c1 O=C([O-])[*:1] Cc1cccc(c1)-c1cc(nc(n1)Nc1ccccc1C)OC[*:1]
Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3C)n2)c1 O=C([O-])C[*:1] Cc1cccc(c1)-c1cc(nc(n1)Nc1ccccc1C)O[*:1]
Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3C)n2)c1 Cc1ccccc1[*:1] Cc1cccc(c1)-c1cc(nc(n1)N[*:1])OCC(=O)[O-]
Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3C)n2)c1 Cc1cccc(c1)[*:1] Cc1ccccc1Nc1nc(cc(n1)[*:1])OCC(=O)[O-]
Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3C)n2)c1 Cc1ccccc1N[*:1] Cc1cccc(c1)-c1cc(nc(n1)[*:1])OCC(=O)[O-]
Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3C)n2)c1 O=C([O-])CO[*:1] Cc1cccc(c1)-c1cc(nc(n1)Nc1ccccc1C)[*:1]
O=S(=O)(c1cccc2ncccc12)N1CCCC[C@H]1CCO OCC[*:1] O=S(=O)(c1cccc2ncccc12)N1CCCC[C@@H]1[*:1]
O=C(Cc1cccc(F)c1)NC[C@@H](O)COc1ccc2c(c1)OCO2 Fc1cccc(c1)C[*:1] O=C(NC[C@@H](O)COc1ccc2OCOc2c1)[*:1]
O=C(Cc1cccc(F)c1)NC[C@@H](O)COc1ccc2c(c1)OCO2 Fc1cccc(c1)[*:1] O=C(C[*:1])NC[C@@H](O)COc1ccc2OCOc2c1
CCc1c(C)sc2nc(SCC(=O)NC)n(-c3ccc(C)c(C)c3)c(=O)c12 Cc1ccc(cc1C)[*:1] CCc1c(C)sc2nc(SCC(=O)NC)n(c(=O)c12)[*:1]
CCc1c(C)sc2nc(SCC(=O)NC)n(-c3ccc(C)c(C)c3)c(=O)c12 CNC(=O)C[*:1] CCc1c(C)sc2nc(S[*:1])n(-c3ccc(C)c(C)c3)c(=O)c12
CCc1c(C)sc2nc(SCC(=O)NC)n(-c3ccc(C)c(C)c3)c(=O)c12 CNC(=O)CS[*:1] CCc1c(C)sc2nc(n(-c3ccc(C)c(C)c3)c(=O)c12)[*:1]
CCc1c(C)sc2nc(SCC(=O)NC)n(-c3ccc(C)c(C)c3)c(=O)c12 CNC(=O)[*:1] CCc1c(C)sc2nc(SC[*:1])n(-c3ccc(C)c(C)c3)c(=O)c12
CCSC[C@@H](C)N(C)C(=O)[C@H]1Cc2ccccc2S1 CCSC[*:1] C[C@@H](N(C)C(=O)[C@H]1Cc2ccccc2S1)[*:1]
CCSC[C@@H](C)N(C)C(=O)[C@H]1Cc2ccccc2S1 CCS[*:1] C[C@H](C[*:1])N(C)C(=O)[C@H]1Cc2ccccc2S1
CS(=O)(=O)N1CCCN(c2nc(CSc3ccccc3)nc3sc4c(c23)CCC4)CC1 c1ccc(cc1)SC[*:1] CS(=O)(=O)N1CCCN(CC1)c1nc(nc2sc3CCCc3c12)[*:1]
CS(=O)(=O)N1CCCN(c2nc(CSc3ccccc3)nc3sc4c(c23)CCC4)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCCN(CC1)c1nc(CS[*:1])nc2sc3CCCc3c12
CS(=O)(=O)N1CCCN(c2nc(CSc3ccccc3)nc3sc4c(c23)CCC4)CC1 c1ccc(cc1)S[*:1] CS(=O)(=O)N1CCCN(CC1)c1nc(C[*:1])nc2sc3CCCc3c12
Cc1cc(-c2nnc(CCC(=O)N[C@@H](c3cccnc3)C(F)(F)F)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(CCc1nnc(o1)[*:1])N[C@@H](c1cccnc1)C(F)(F)F
Cc1cc(-c2nnc(CCC(=O)N[C@@H](c3cccnc3)C(F)(F)F)o2)c(C)o1 c1cncc(c1)[*:1] Cc1cc(-c2nnc(CCC(=O)N[C@@H](C(F)(F)F)[*:1])o2)c(C)o1
Cc1cc(-c2nnc(CCC(=O)N[C@@H](c3cccnc3)C(F)(F)F)o2)c(C)o1 FC(F)(F)[*:1] Cc1cc(-c2nnc(CCC(=O)N[C@@H](c3cccnc3)[*:1])o2)c(C)o1
C[C@H]1CCC[C@H](NC(=O)NCC(=O)NC(C)(C)C)[C@@H]1C CC(C)(C)[*:1] C[C@H]1CCC[C@H](NC(=O)NCC(=O)N[*:1])[C@@H]1C
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC(C(=O)N(C)C)CC1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCC(CC1)C(=O)N(C)C
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC(C(=O)N(C)C)CC1 CC(C)(C)C(=O)N[*:1] C[C@@H](C(=O)N1CCC(CC1)C(=O)N(C)C)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC(C(=O)N(C)C)CC1 CN(C)C(=O)[*:1] C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC(CC1)[*:1]
O=C(Cc1csc(-c2ccccc2F)n1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] c1ccc2c(c[nH]c2c1)C[*:1] O=C(Cc1csc(n1)-c1ccccc1F)N[C@H](C(=O)[O-])[*:1]
O=C(Cc1csc(-c2ccccc2F)n1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] Fc1ccccc1[*:1] O=C(Cc1csc(n1)[*:1])N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
O=C(Cc1csc(-c2ccccc2F)n1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] c1ccc2c(c[nH]c2c1)[*:1] O=C(Cc1csc(n1)-c1ccccc1F)N[C@H](C[*:1])C(=O)[O-]
O=C(Cc1csc(-c2ccccc2F)n1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] O=C([O-])[*:1] O=C(Cc1csc(n1)-c1ccccc1F)N[C@H](Cc1c[nH]c2ccccc12)[*:1]
CCCCNC(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 CCCC[*:1] O=C(NCC(F)(F)F)[C@@H]1CCCN(C1)C(=O)N[*:1]
CCCCNC(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 CCC[*:1] O=C(NCC(F)(F)F)[C@@H]1CCCN(C1)C(=O)NC[*:1]
CCCCNC(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 FC(F)(F)[*:1] CCCCNC(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CCCCNC(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 FC(F)(F)C[*:1] CCCCNC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
C[NH2+][C@@](C)(C(=O)OC)c1ccc(OC)cc1 COC(=O)[*:1] C[NH2+][C@@](C)(c1ccc(cc1)OC)[*:1]
COc1ccc([C@H](C)NC(=O)c2ccccc2I)cc1OC Ic1ccccc1[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)[*:1]
N#C/C=C(\c1ccccc1)N1CCC(OC2CCOCC2)CC1 C1CC(CCO1)O[*:1] N#C/C=C(\c1ccccc1)N1CCC(CC1)[*:1]
N#C/C=C(\c1ccccc1)N1CCC(OC2CCOCC2)CC1 c1ccc(cc1)[*:1] N#C/C=C(/N1CCC(CC1)OC1CCOCC1)[*:1]
N#C/C=C(\c1ccccc1)N1CCC(OC2CCOCC2)CC1 C1CC(CCO1)[*:1] N#C/C=C(\c1ccccc1)N1CCC(CC1)O[*:1]
O=C(Nc1ccccc1N1CCCCC1)NC1CC1 C1CC1[*:1] O=C(Nc1ccccc1N1CCCCC1)N[*:1]
O=C(Nc1ccccc1N1CCCCC1)NC1CC1 C1CCN(CC1)[*:1] O=C(Nc1ccccc1[*:1])NC1CC1
Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H](CO)Cc3ccccc3)cccc2c1=O c1ccc(cc1)C[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)N[C@H](CO)[*:1])-c1ccccc1
Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H](CO)Cc3ccccc3)cccc2c1=O c1ccc(cc1)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)N[C@H](CO)Cc1ccccc1)[*:1]
Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H](CO)Cc3ccccc3)cccc2c1=O c1ccc(cc1)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)N[C@H](CO)C[*:1])-c1ccccc1
CCOc1ccc(/C=N/NC(=O)[C@H]2C=c3ccc(OC)cc3=[NH+]2)cc1 CCO[*:1] COc1ccc2=C[C@@H]([NH+]=c2c1)C(=O)N/N=C/c1ccc(cc1)[*:1]
COc1cccc(Oc2ccc(CNC(=O)CC(C)C)cn2)c1 CC(C)CC(=O)N[*:1] COc1cccc(c1)Oc1ccc(cn1)C[*:1]
COc1cccc(Oc2ccc(CNC(=O)CC(C)C)cn2)c1 CC(C)[*:1] COc1cccc(c1)Oc1ccc(cn1)CNC(=O)C[*:1]
COc1cccc(Oc2ccc(CNC(=O)CC(C)C)cn2)c1 CC(C)C[*:1] COc1cccc(c1)Oc1ccc(cn1)CNC(=O)[*:1]
C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1c1ccccc1Cl)c1ccco1 Clc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[*:1])c1ccco1
C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1c1ccccc1Cl)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1c1ccccc1Cl)[*:1]
C[C@H](O)C[C@@H](C)CNC(=O)c1ccc(-n2cccn2)c(F)c1 C[C@H](O)C[*:1] C[C@@H](CNC(=O)c1ccc(c(F)c1)-n1cccn1)[*:1]
C[C@H](O)C[C@@H](C)CNC(=O)c1ccc(-n2cccn2)c(F)c1 c1cnn(c1)[*:1] C[C@H](O)C[C@@H](C)CNC(=O)c1ccc(c(F)c1)[*:1]
C[C@H](O)C[C@@H](C)CNC(=O)c1ccc(-n2cccn2)c(F)c1 C[C@H](O)[*:1] C[C@@H](CNC(=O)c1ccc(c(F)c1)-n1cccn1)C[*:1]
Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4cc(C(C)(C)C)n[nH]4)C3)noc2n1 FC(F)(F)[*:1] Cc1cc(c2c(noc2n1)[C@H]1CCCN(C1)C(=O)c1cc(n[nH]1)C(C)(C)C)[*:1]
Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4cc(C(C)(C)C)n[nH]4)C3)noc2n1 CC(C)(C)[*:1] Cc1cc(c2c(noc2n1)[C@H]1CCCN(C1)C(=O)c1cc(n[nH]1)[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4cc(C(C)(C)C)n[nH]4)C3)noc2n1 CC(C)(C)c1cc([nH]n1)[*:1] Cc1cc(c2c(noc2n1)[C@H]1CCCN(C1)C(=O)[*:1])C(F)(F)F
O=C(COc1ccccc1)Nc1ccccc1OC[C@@H]1CCCO1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccccc1OC[C@@H]1CCCO1
O=C(COc1ccccc1)Nc1ccccc1OC[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccccc1OC[C@@H]1CCCO1
O=C(COc1ccccc1)Nc1ccccc1OC[C@@H]1CCCO1 c1ccc(cc1)OC[*:1] O=C(Nc1ccccc1OC[C@@H]1CCCO1)[*:1]
C[NH+](C)C[C@H]1CN(CCC(=O)NCc2ccccc2Cl)CCO1 Clc1ccccc1[*:1] C[NH+](C)C[C@H]1CN(CCO1)CCC(=O)NC[*:1]
Cc1cc(C(N)=O)c(NC(=O)c2ccnc(OC(C)(C)C)c2)s1 NC(=O)[*:1] Cc1cc(c(NC(=O)c2ccnc(c2)OC(C)(C)C)s1)[*:1]
Cc1cc(C(N)=O)c(NC(=O)c2ccnc(OC(C)(C)C)c2)s1 CC(C)(C)[*:1] Cc1cc(C(N)=O)c(NC(=O)c2ccnc(c2)O[*:1])s1
Cc1cc(C(N)=O)c(NC(=O)c2ccnc(OC(C)(C)C)c2)s1 CC(C)(C)O[*:1] Cc1cc(C(N)=O)c(NC(=O)c2ccnc(c2)[*:1])s1
COC(=O)[C@@H]([NH2+]CC(C)(C)C(=O)[O-])c1ccccc1 COC(=O)[*:1] CC(C)(C[NH2+][C@@H](c1ccccc1)[*:1])C(=O)[O-]
COC(=O)[C@@H]([NH2+]CC(C)(C)C(=O)[O-])c1ccccc1 CC(C)(C(=O)[O-])[*:1] COC(=O)[C@@H]([NH2+]C[*:1])c1ccccc1
COC(=O)[C@@H]([NH2+]CC(C)(C)C(=O)[O-])c1ccccc1 O=C([O-])[*:1] COC(=O)[C@@H]([NH2+]CC(C)(C)[*:1])c1ccccc1
COC(=O)[C@@H]([NH2+]CC(C)(C)C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H]([NH2+]CC(C)(C)C(=O)[O-])[*:1]
Cn1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)cn1 Cn1cc(cn1)[*:1] O=C([C@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H]1[*:1]
Cn1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)cn1 Fc1cccc(c1)[*:1] Cn1cc(cn1)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1[*:1]
N#CCCN(Cc1cccnc1)C(=O)c1ccc2cc[nH]c2c1 c1cncc(c1)C[*:1] N#CCCN(C(=O)c1ccc2cc[nH]c2c1)[*:1]
N#CCCN(Cc1cccnc1)C(=O)c1ccc2cc[nH]c2c1 N#CCC[*:1] O=C(c1ccc2cc[nH]c2c1)N(Cc1cccnc1)[*:1]
N#CCCN(Cc1cccnc1)C(=O)c1ccc2cc[nH]c2c1 N#CC[*:1] O=C(c1ccc2cc[nH]c2c1)N(Cc1cccnc1)C[*:1]
N#CCCN(Cc1cccnc1)C(=O)c1ccc2cc[nH]c2c1 c1cncc(c1)[*:1] N#CCCN(C[*:1])C(=O)c1ccc2cc[nH]c2c1
Cc1cccc(-c2nnc([C@@H](C)Sc3ccc(S(=O)(=O)N4CCCC4)cn3)o2)c1 O=S(=O)(N1CCCC1)[*:1] Cc1cccc(c1)-c1nnc(o1)[C@@H](C)Sc1ccc(cn1)[*:1]
Cc1cccc(-c2nnc([C@@H](C)Sc3ccc(S(=O)(=O)N4CCCC4)cn3)o2)c1 Cc1cccc(c1)[*:1] C[C@@H](Sc1ccc(cn1)S(=O)(=O)N1CCCC1)c1nnc(o1)[*:1]
C[C@@H](CC#N)N(C)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] C[C@@H](CC#N)N(C)C(=O)Nc1cnn(c1)CC(=O)N[*:1]
C[C@@H](CC#N)N(C)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 N#CC[*:1] C[C@@H](N(C)C(=O)Nc1cnn(c1)CC(=O)NC1CCCC1)[*:1]
C[C@@H](CC#N)N(C)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 O=C(NC1CCCC1)[*:1] C[C@@H](CC#N)N(C)C(=O)Nc1cnn(c1)C[*:1]
Cc1ccc(F)c(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(F)c(c1)NC(=O)[C@@H](C[*:1])NC(=O)c1ccccc1
Cc1ccc(F)c(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c1 Cc1ccc(F)c(c1)[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N[*:1])c1ccccc1
Cc1ccc(F)c(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(F)c(c1)NC(=O)[C@@H](NC(=O)c1ccccc1)[*:1]
Cc1ccc(F)c(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(F)c(c1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[*:1]
Cc1ccc(F)c(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c1 O=C(N[*:1])c1ccccc1 Cc1ccc(F)c(c1)NC(=O)[C@@H](Cc1ccccc1)[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)NNC(=O)N[C@@H]1CCC[C@@H]1[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)o1 Cc1ccc(o1)[*:1] O=C(NNC(=O)[*:1])N[C@@H]1CCC[C@H]1c1ccc(F)cc1
C[C@H]1C[C@H](C)CCN1C(=O)c1cn(C)nc1C(C)(C)C CC(C)(C)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)c1cn(C)nc1[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
COc1cccc(/C=C(/C(=O)NCC2CC2)n2nnnc2C)c1 O=C(NCC1CC1)[*:1] COc1cccc(/C=C(\n2nnnc2C)[*:1])c1
COc1cccc(/C=C(/C(=O)NCC2CC2)n2nnnc2C)c1 C1CC1[*:1] COc1cccc(/C=C(/C(=O)NC[*:1])n2nnnc2C)c1
COc1cccc(/C=C(/C(=O)NCC2CC2)n2nnnc2C)c1 Cc1nnnn1[*:1] COc1cccc(C=C(C(=O)NCC2CC2)[*:1])c1
COc1cccc(/C=C(/C(=O)NCC2CC2)n2nnnc2C)c1 C1CC1C[*:1] COc1cccc(/C=C(/C(=O)N[*:1])n2nnnc2C)c1
C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc2c(c1)OCO2 O=[N+]([O-])[*:1] C[C@H](Oc1cccc(c1)[*:1])C(=O)NCc1ccc2OCOc2c1
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 Cc1nn(C)c(C)c1[*:1] O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)C(=O)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCCC[C@H]1[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCCC[C@@H]1O[*:1]
COCC[C@]1(CO)CCCN(C(=O)c2cc(Cl)ccc2OC)C1 COCC[*:1] COc1ccc(Cl)cc1C(=O)N1CCC[C@@](CO)(C1)[*:1]
COCC[C@]1(CO)CCCN(C(=O)c2cc(Cl)ccc2OC)C1 COC[*:1] COc1ccc(Cl)cc1C(=O)N1CCC[C@](CO)(C1)C[*:1]
C[C@H](Cn1cncn1)NC(=O)c1ccc(-n2ccnn2)cc1 c1ncn(n1)[*:1] C[C@H](C[*:1])NC(=O)c1ccc(cc1)-n1ccnn1
C[C@H](Cn1cncn1)NC(=O)c1ccc(-n2ccnn2)cc1 c1ncn(C[*:1])n1 C[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
C[C@H](Cn1cncn1)NC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] C[C@H](Cn1cncn1)NC(=O)c1ccc(cc1)[*:1]
COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)c1OC O=[N+]([O-])c1cccc(c1)[*:1] COc1cccc(/C=C2\Oc3cc(ccc3C2=O)OC(=O)[*:1])c1OC
COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)c1OC COc1cccc(c1OC)[*:1] O=C(Oc1ccc2C(=O)C(=C[*:1])Oc2c1)c1cccc(c1)[N+](=O)[O-]
COc1cccc(/C=C2\Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3C2=O)c1OC O=[N+]([O-])[*:1] COc1cccc(/C=C2\Oc3cc(ccc3C2=O)OC(=O)c2cccc(c2)[*:1])c1OC
COCCCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c1C COCCC[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c(C)n1[*:1]
COCCCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c1C COC[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c(C)n1CC[*:1]
COCCCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c1C COCC[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c(C)n1C[*:1]
CC(C)OC[C@H]([NH3+])C[C@H]1CCCO1 CC(C)[*:1] [NH3+][C@@H](CO[*:1])C[C@H]1CCCO1
CC(C)OC[C@H]([NH3+])C[C@H]1CCCO1 CC(C)O[*:1] [NH3+][C@H](C[C@H]1CCCO1)C[*:1]
CC(C)N(C)c1cccc(NC(=O)C(=O)N[C@@H]2CC=CCC2)c1 CC(C)[*:1] CN(c1cccc(c1)NC(=O)C(=O)N[C@@H]1CC=CCC1)[*:1]
CC(C)N(C)c1cccc(NC(=O)C(=O)N[C@@H]2CC=CCC2)c1 CC(C)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N[C@@H]1CC=CCC1
CN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2ccoc2)n1 Clc1ccc(s1)[*:1] CN(C[*:1])C(=O)Cc1csc(n1)-c1ccoc1
CN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2ccoc2)n1 c1cc(co1)[*:1] CN(Cc1ccc(Cl)s1)C(=O)Cc1csc(n1)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2ccoc2)n1 Clc1ccc(C[*:1])s1 CN(C(=O)Cc1csc(n1)-c1ccoc1)[*:1]
C[C@H](Sc1ccccc1S(C)(=O)=O)C(=O)OC(C)(C)C CS(=O)(=O)[*:1] C[C@H](Sc1ccccc1[*:1])C(=O)OC(C)(C)C
C[C@H](Sc1ccccc1S(C)(=O)=O)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H](Sc1ccccc1S(C)(=O)=O)C(=O)O[*:1]
Cc1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)no1 O=[N+]([O-])[*:1] Cc1cc(no1)NC(=O)N1CCc2ccc(cc2C1)[*:1]
Cc1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
COc1nn(C)cc1C(=O)NCc1cc(-c2ccc3c(c2)O[C@H](C)C3)on1 COc1nn(C)cc1[*:1] C[C@@H]1Cc2ccc(cc2O1)-c1cc(CNC(=O)[*:1])no1
CC(=O)Oc1cccc(C(N)=O)c1 NC(=O)[*:1] CC(=O)Oc1cccc(c1)[*:1]
CC(=O)Oc1cccc(C(N)=O)c1 CC(=O)O[*:1] NC(=O)c1cccc(c1)[*:1]
CC(C)(C)[C@H](CC[NH3+])CCC(=O)N1CCO[C@H](C#N)C1 CC(C)(C)[*:1] N#C[C@@H]1CN(CCO1)C(=O)CC[C@@H](CC[NH3+])[*:1]
CC(C)(C)[C@H](CC[NH3+])CCC(=O)N1CCO[C@H](C#N)C1 [NH3+]CC[*:1] CC(C)(C)[C@H](CCC(=O)N1CCO[C@H](C#N)C1)[*:1]
O=C(Nc1cccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1)c1ccncc1 O=C(N[*:1])c1ccncc1 O=C(Nc1cccc(c1)[*:1])N1CCC[C@@H](C1)[NH+]1CCCC1
O=C(Nc1cccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1)c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])N1CCC[C@@H](C1)[NH+]1CCCC1
CCCC(=O)Nc1cccc(C[NH2+]Cc2cc(Br)cs2)c1 CCC[*:1] O=C(Nc1cccc(c1)C[NH2+]Cc1cc(Br)cs1)[*:1]
CCCC(=O)Nc1cccc(C[NH2+]Cc2cc(Br)cs2)c1 Brc1csc(c1)[*:1] CCCC(=O)Nc1cccc(c1)C[NH2+]C[*:1]
CCCC(=O)Nc1cccc(C[NH2+]Cc2cc(Br)cs2)c1 CCCC(=O)N[*:1] Brc1csc(c1)C[NH2+]Cc1cccc(c1)[*:1]
CC(C)(C)CC(=O)NCCC(=O)N1Cc2nc(-c3ccccc3)sc2C1 CC(C)(C)CC(=O)N[*:1] O=C(CC[*:1])N1Cc2nc(sc2C1)-c1ccccc1
CC(C)(C)CC(=O)NCCC(=O)N1Cc2nc(-c3ccccc3)sc2C1 CC(C)(C)C[*:1] O=C(CCNC(=O)[*:1])N1Cc2nc(sc2C1)-c1ccccc1
CC(C)(C)CC(=O)NCCC(=O)N1Cc2nc(-c3ccccc3)sc2C1 CC(C)(C)[*:1] O=C(C[*:1])NCCC(=O)N1Cc2nc(sc2C1)-c1ccccc1
CC(C)(C)CC(=O)NCCC(=O)N1Cc2nc(-c3ccccc3)sc2C1 c1ccc(cc1)[*:1] CC(C)(C)CC(=O)NCCC(=O)N1Cc2nc(sc2C1)[*:1]
C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cnc2ccsc2c1 CC(C)(C)[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C1)[*:1])c1cnc2ccsc2c1
CC(C)C[C@@H](C)N(C)C(=O)CN1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] CC(C)C[C@@H](C)N(C)C(=O)CN1CC[NH+](CC1)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)CN1CC[NH+](C2CCCC2)CC1 CC(C)C[C@@H](C)[*:1] CN(C(=O)CN1CC[NH+](CC1)C1CCCC1)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)CN1CC[NH+](C2CCCC2)CC1 CC(C)C[*:1] C[C@@H](N(C)C(=O)CN1CC[NH+](CC1)C1CCCC1)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)CN1CC[NH+](C2CCCC2)CC1 CC(C)[*:1] C[C@H](C[*:1])N(C)C(=O)CN1CC[NH+](CC1)C1CCCC1
O=C1Nc2ccc(F)cc2/C1=c1/sc2n(c1=O)CN(c1ccc(F)c(F)c1)CN=2 Fc1ccc(cc1F)[*:1] O=C1Nc2ccc(F)cc2/C1=c1/sc2=NCN(Cn2c1=O)[*:1]
Cc1cc(N)cc(C)c1NC(=O)C1CCCC1 C1CCC(C1)[*:1] Cc1cc(N)cc(C)c1NC(=O)[*:1]
CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1F Fc1ccccc1C[*:1] CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1O[*:1]
CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1F CC(C)(O)[*:1] O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1F)[*:1]
CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1F Fc1ccccc1[*:1] CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OC[*:1]
Cc1nc2c(s1)[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)CCC2 FC(F)(F)[*:1] Cc1nc2CCC[C@@H](NCC#Cc3ccc(cc3)[*:1])c2s1
Cc1cc(=O)n(C)cc1NC(=O)c1ccc(SCc2cccnc2)cc1 c1cncc(c1)C[*:1] Cc1cc(=O)n(C)cc1NC(=O)c1ccc(cc1)S[*:1]
Cc1cc(=O)n(C)cc1NC(=O)c1ccc(SCc2cccnc2)cc1 c1cncc(c1)CS[*:1] Cc1cc(=O)n(C)cc1NC(=O)c1ccc(cc1)[*:1]
Cc1cc(=O)n(C)cc1NC(=O)c1ccc(SCc2cccnc2)cc1 c1cncc(c1)[*:1] Cc1cc(=O)n(C)cc1NC(=O)c1ccc(cc1)SC[*:1]
O=C(c1ccccc1NC(=O)N1CCC[C@@H]2CCC[C@H]21)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@@H]2CCC[C@H]21
C[C@@H]1CN(C[C@H](O)COc2ccccc2F)C(C)(C)CO1 Fc1ccccc1[*:1] C[C@@H]1CN(C[C@H](O)CO[*:1])C(C)(C)CO1
Cc1cc(OCC(=O)NCCN2CCOCC2)c2c3c(c(=O)oc2c1)CCC3 C1CN(CCO1)CC[*:1] Cc1cc(OCC(=O)N[*:1])c2c3CCCc3c(=O)oc2c1
Cc1cc(OCC(=O)NCCN2CCOCC2)c2c3c(c(=O)oc2c1)CCC3 C1CN(CCO1)[*:1] Cc1cc(OCC(=O)NCC[*:1])c2c3CCCc3c(=O)oc2c1
Cc1cc(OCC(=O)NCCN2CCOCC2)c2c3c(c(=O)oc2c1)CCC3 C1CN(CCO1)C[*:1] Cc1cc(OCC(=O)NC[*:1])c2c3CCCc3c(=O)oc2c1
CNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 CNC(=O)[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(Br)cc1)[*:1]
CNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] CNC(=O)c1ccc(OC)c(c1)S(=O)(=O)N[*:1]
CN(C)c1nc(C[NH2+]Cc2nccn2Cc2ccccc2)cs1 c1ccc(cc1)C[*:1] CN(C)c1nc(cs1)C[NH2+]Cc1nccn1[*:1]
CN(C)c1nc(C[NH2+]Cc2nccn2Cc2ccccc2)cs1 CN(C)[*:1] c1ccc(cc1)Cn1ccnc1C[NH2+]Cc1csc(n1)[*:1]
CN(C)c1nc(C[NH2+]Cc2nccn2Cc2ccccc2)cs1 c1ccc(cc1)[*:1] CN(C)c1nc(cs1)C[NH2+]Cc1nccn1C[*:1]
CNC(=O)c1cc(Cl)ccc1NCC(=O)N(c1ccccc1)C(C)C c1ccc(cc1)[*:1] CNC(=O)c1cc(Cl)ccc1NCC(=O)N(C(C)C)[*:1]
CNC(=O)c1cc(Cl)ccc1NCC(=O)N(c1ccccc1)C(C)C CNC(=O)[*:1] CC(C)N(C(=O)CNc1ccc(Cl)cc1[*:1])c1ccccc1
CNC(=O)c1cc(Cl)ccc1NCC(=O)N(c1ccccc1)C(C)C CC(C)[*:1] CNC(=O)c1cc(Cl)ccc1NCC(=O)N(c1ccccc1)[*:1]
CC[C@H](C)NC(=O)CCS(=O)(=O)c1cc2c(cc1Br)C[C@H](C)N2C(C)=O CC[C@H](C)[*:1] CC(=O)N1c2cc(c(Br)cc2C[C@@H]1C)S(=O)(=O)CCC(=O)N[*:1]
CC[C@H](C)NC(=O)CCS(=O)(=O)c1cc2c(cc1Br)C[C@H](C)N2C(C)=O CC[C@H](C)NC(=O)[*:1] CC(=O)N1c2cc(c(Br)cc2C[C@@H]1C)S(=O)(=O)CC[*:1]
CC[C@H](C)NC(=O)CCS(=O)(=O)c1cc2c(cc1Br)C[C@H](C)N2C(C)=O CC[C@H](C)NC(=O)C[*:1] CC(=O)N1c2cc(c(Br)cc2C[C@@H]1C)S(=O)(=O)C[*:1]
CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(N5C(=O)CCC5=O)cc4)n3)oc12 CCO[*:1] O=C(Nc1nc(cs1)-c1cc2cccc(c2o1)[*:1])c1ccc(cc1)N1C(=O)CCC1=O
CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(N5C(=O)CCC5=O)cc4)n3)oc12 O=C1CCC(=O)N1[*:1] CCOc1cccc2cc(oc12)-c1csc(n1)NC(=O)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N[*:1]
Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)cs1 Cc1nc(cs1)[*:1] O=S(=O)(Nc1cccc(c1)[*:1])c1ccc(cc1)C(F)(F)F
Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)cs1 FC(F)(F)[*:1] Cc1nc(cs1)-c1cccc(c1)NS(=O)(=O)c1ccc(cc1)[*:1]
CC[C@@H](Oc1ccccc1C)C(=O)NCc1ncn(C)n1 Cc1ccccc1[*:1] CC[C@@H](O[*:1])C(=O)NCc1ncn(C)n1
CC[C@@H](Oc1ccccc1C)C(=O)NCc1ncn(C)n1 Cn1cnc(C[*:1])n1 CC[C@@H](Oc1ccccc1C)C(=O)N[*:1]
CC[C@@H](Oc1ccccc1C)C(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CC[C@@H](Oc1ccccc1C)C(=O)NC[*:1]
COC(=O)C[C@H](NC(=O)c1csc2c1CC[C@@H](C)C2)C1CC1 COC(=O)C[*:1] C[C@@H]1CCc2c(csc2C1)C(=O)N[C@H](C1CC1)[*:1]
COC(=O)C[C@H](NC(=O)c1csc2c1CC[C@@H](C)C2)C1CC1 COC(=O)[*:1] C[C@@H]1CCc2c(csc2C1)C(=O)N[C@@H](C[*:1])C1CC1
COC(=O)C[C@H](NC(=O)c1csc2c1CC[C@@H](C)C2)C1CC1 C1CC1[*:1] COC(=O)C[C@H](NC(=O)c1csc2C[C@H](C)CCc12)[*:1]
O=C(NCCCn1cc[nH+]c1)C1=CC2=[NH+][C@@H](c3ccc(Cl)c(Cl)c3)C[C@H](C(F)(F)F)N2N1 FC(F)(F)[*:1] O=C(NCCCn1cc[nH+]c1)C1=CC2=[NH+][C@H](C[C@H](N2N1)[*:1])c1ccc(Cl)c(Cl)c1
O=C(NCCCn1cc[nH+]c1)C1=CC2=[NH+][C@@H](c3ccc(Cl)c(Cl)c3)C[C@H](C(F)(F)F)N2N1 Clc1ccc(cc1Cl)[*:1] O=C(NCCCn1cc[nH+]c1)C1=CC2=[NH+][C@@H](C[C@@H](N2N1)C(F)(F)F)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(F)cc1Br c1ccc(nc1)[*:1] C[C@@H](N(C)C(=O)Nc1ccc(F)cc1Br)[*:1]
O=c1cc(NCc2ccc3c(c2)OCCO3)cnn1Cc1ccccc1 c1ccc(cc1)[*:1] O=c1cc(cnn1C[*:1])NCc1ccc2OCCOc2c1
O=c1cc(NCc2ccc3c(c2)OCCO3)cnn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=c1cc(cnn1[*:1])NCc1ccc2OCCOc2c1
Oc1cc(-c2cccnc2)cc2c1OCCN(c1noc(C3CC3)n1)C2 c1cncc(c1)[*:1] Oc1cc(cc2CN(CCOc12)c1noc(n1)C1CC1)[*:1]
Oc1cc(-c2cccnc2)cc2c1OCCN(c1noc(C3CC3)n1)C2 C1CC1c1nc(no1)[*:1] Oc1cc(cc2CN(CCOc12)[*:1])-c1cccnc1
Oc1cc(-c2cccnc2)cc2c1OCCN(c1noc(C3CC3)n1)C2 C1CC1[*:1] Oc1cc(cc2CN(CCOc12)c1noc(n1)[*:1])-c1cccnc1
Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)[*:1]
Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(cc1C)C(=O)NCCS(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)C(=O)NCCS(=O)(=O)N1CCN(CC1)c1cccc(c1)[*:1]
CCC(=O)N[C@H](C(=O)Nc1nnc(C(C)C)s1)c1ccccc1 CC(C)[*:1] CCC(=O)N[C@H](C(=O)Nc1nnc(s1)[*:1])c1ccccc1
CCC(=O)N[C@H](C(=O)Nc1nnc(C(C)C)s1)c1ccccc1 c1ccc(cc1)[*:1] CCC(=O)N[C@H](C(=O)Nc1nnc(s1)C(C)C)[*:1]
CCC(=O)N[C@H](C(=O)Nc1nnc(C(C)C)s1)c1ccccc1 CCC(=O)N[*:1] CC(C)c1nnc(NC(=O)[C@H](c2ccccc2)[*:1])s1
Cc1ccc(NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(c1)[*:1]
c1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc(OC2CCCC2)c1 c1cc(n[nH]1)[*:1] c1cc(cc(c1)OC1CCCC1)C[NH+]1CCC(CC1)[*:1]
c1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc(OC2CCCC2)c1 C1CCC(C1)[*:1] c1cc(cc(c1)O[*:1])C[NH+]1CCC(CC1)c1cc[nH]n1
c1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc(OC2CCCC2)c1 C1CCC(C1)O[*:1] c1cc(cc(c1)[*:1])C[NH+]1CCC(CC1)c1cc[nH]n1
COc1ccc(C(=O)NCC(=O)NCC2(C)Cc3ccccc3C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)NCC(=O)NCC1(C)Cc2ccccc2C1
CC[C@@H](C)n1ccc(C[C@@H](CO)c2ccccc2C)n1 CC[C@@H](C)[*:1] Cc1ccccc1[C@H](CO)Cc1ccn(n1)[*:1]
CC[NH+]1CCN(c2ccccc2NC(=O)CSc2nnc(-c3ccccc3F)o2)CC1 Fc1ccccc1[*:1] CC[NH+]1CCN(CC1)c1ccccc1NC(=O)CSc1nnc(o1)[*:1]
COc1ccc(-c2n[nH]c(SCC(=O)N(C)Cc3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1n[nH]c(n1)SCC(=O)N(C)[*:1]
COc1ccc(-c2n[nH]c(SCC(=O)N(C)Cc3ccc(F)cc3)n2)cc1 COc1ccc(cc1)[*:1] CN(Cc1ccc(F)cc1)C(=O)CSc1nc(n[nH]1)[*:1]
COc1ccc(-c2n[nH]c(SCC(=O)N(C)Cc3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1n[nH]c(n1)SCC(=O)N(C)C[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(c2cccc(Cl)c2)CC1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)C1CCN(CC1)c1cccc(Cl)c1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)C1CCN(CC1)[*:1])[N+](=O)[O-]
CN(CCC(=O)NC[C@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)[C@@H]1CCS(=O)(=O)C1 c1ccc2ncc(cc2c1)[*:1] CN(CCC(=O)NC[C@H]1Cc2cc(cc(F)c2O1)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(NCCc1nnc2n1CCCCC2)c1cc(-c2ccccn2)nc2ccccc12 C1CCc2nnc(n2CC1)[*:1] O=C(NCC[*:1])c1cc(nc2ccccc12)-c1ccccn1
O=C(NCCc1nnc2n1CCCCC2)c1cc(-c2ccccn2)nc2ccccc12 c1ccc(nc1)[*:1] O=C(NCCc1nnc2CCCCCn21)c1cc(nc2ccccc12)[*:1]
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])NCCc1ccc(F)cc1
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCC[*:1]
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NC[*:1]
O=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(c1)C[*:1]
O=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2ccc(F)cc2)c1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(=O)n(c1)Cc1ccc(F)cc1
O=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2ccc(F)cc2)c1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(c1)[*:1]
CCCn1cc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)nc1C CCC[*:1] Cc1nc(cn1[*:1])S(=O)(=O)N[C@H]1C=C[C@H](C1)C(=O)[O-]
CCCn1cc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)nc1C O=C([O-])[*:1] CCCn1cc(nc1C)S(=O)(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CCOC[C@@H]1CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)CO[*:1]
CCOC[C@@H]1CCCN(C(=O)COc2ccccc2)C1 CCOC[*:1] O=C(COc1ccccc1)N1CCC[C@H](C1)[*:1]
CCOC[C@@H]1CCCN(C(=O)COc2ccccc2)C1 CCO[*:1] O=C(COc1ccccc1)N1CCC[C@H](C1)C[*:1]
C[C@@H](NC(=O)Cc1ccc[nH]1)c1ccccc1Br c1c[nH]c(c1)[*:1] C[C@@H](NC(=O)C[*:1])c1ccccc1Br
C[C@@H](NC(=O)Cc1ccc[nH]1)c1ccccc1Br c1c[nH]c(c1)C[*:1] C[C@@H](NC(=O)[*:1])c1ccccc1Br
Cc1cccc(O[C@H](C)CNC(=O)C(=O)Nc2cccnc2Cl)c1 Clc1ncccc1[*:1] Cc1cccc(c1)O[C@H](C)CNC(=O)C(=O)N[*:1]
Cc1cccc(O[C@H](C)CNC(=O)C(=O)Nc2cccnc2Cl)c1 Cc1cccc(c1)O[*:1] C[C@H](CNC(=O)C(=O)Nc1cccnc1Cl)[*:1]
Cc1cccc(O[C@H](C)CNC(=O)C(=O)Nc2cccnc2Cl)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)C(=O)Nc1cccnc1Cl)O[*:1]
CS(=O)(=O)N1CCC[C@@H](CC(=O)C[C@@H]2CCCO2)C1 C1CO[C@@H](C1)C[*:1] CS(=O)(=O)N1CCC[C@@H](CC(=O)[*:1])C1
CS(=O)(=O)N1CCC[C@@H](CC(=O)C[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] CS(=O)(=O)N1CCC[C@@H](CC(=O)C[*:1])C1
CCCCSc1nc2ccc(C)cc2c(=O)n1C CCC[*:1] Cc1ccc2nc(SC[*:1])n(C)c(=O)c2c1
CCCCSc1nc2ccc(C)cc2c(=O)n1C CCCC[*:1] Cc1ccc2nc(S[*:1])n(C)c(=O)c2c1
CCCCSc1nc2ccc(C)cc2c(=O)n1C CCCCS[*:1] Cc1ccc2nc(n(C)c(=O)c2c1)[*:1]
O[C@H](CC[C@H]1CCOC2(CCSCC2)C1)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](CC[C@H]1CCOC2(CCSCC2)C1)[*:1]
CC(C)NC(=O)CN(C)C(=O)C(=O)c1cnn(-c2ccccc2)c1 CC(C)NC(=O)[*:1] CN(C[*:1])C(=O)C(=O)c1cnn(c1)-c1ccccc1
CC(C)NC(=O)CN(C)C(=O)C(=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)NC(=O)CN(C)C(=O)C(=O)c1cnn(c1)[*:1]
CC(C)NC(=O)CN(C)C(=O)C(=O)c1cnn(-c2ccccc2)c1 CC(C)[*:1] CN(CC(=O)N[*:1])C(=O)C(=O)c1cnn(c1)-c1ccccc1
CC(C)NC(=O)CN(C)C(=O)C(=O)c1cnn(-c2ccccc2)c1 CC(C)NC(=O)C[*:1] CN(C(=O)C(=O)c1cnn(c1)-c1ccccc1)[*:1]
CC(C)CC1([NH3+])CCC(F)(F)CC1 CC(C)C[*:1] [NH3+]C1(CCC(F)(F)CC1)[*:1]
CC(C)CC1([NH3+])CCC(F)(F)CC1 CC(C)[*:1] [NH3+]C1(CCC(F)(F)CC1)C[*:1]
CCOc1nnc(CN2CCN(c3ncccc3F)CC2)s1 CCO[*:1] Fc1cccnc1N1CCN(CC1)Cc1nnc(s1)[*:1]
CCOc1nnc(CN2CCN(c3ncccc3F)CC2)s1 Fc1cccnc1[*:1] CCOc1nnc(CN2CCN(CC2)[*:1])s1
C[C@H]1CCC[C@@H](N2CCC([NH2+]C[C@H](O)c3ccccc3Cl)CC2)C1 Clc1ccccc1[*:1] C[C@H]1CCC[C@H](C1)N1CCC(CC1)[NH2+]C[C@H](O)[*:1]
C[C@H]1CCC[C@@H](N2CCC([NH2+]C[C@H](O)c3ccccc3Cl)CC2)C1 C[C@H]1CCC[C@@H](C1)[*:1] O[C@@H](C[NH2+]C1CCN(CC1)[*:1])c1ccccc1Cl
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc([N+](=O)[O-])c1O Fc1ccc(cc1)[*:1] COc1cc(cc(c1O)[N+](=O)[O-])[C@H]1Nc2ccccc2NC2C[C@H](CC(=O)C=21)[*:1]
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(cc(c1O)[*:1])[C@H]1Nc2ccccc2NC2C[C@@H](CC(=O)C=21)c1ccc(F)cc1
CN(Cc1ccsc1)C[C@@H]1CCC(C)(C)[C@@H]1[NH3+] c1cc(cs1)[*:1] CN(C[C@@H]1CCC(C)(C)[C@@H]1[NH3+])C[*:1]
CC(=O)Nc1ccc(-c2nc(NC3CCCC3)sc2C)cc1 CC(=O)N[*:1] Cc1sc(nc1-c1ccc(cc1)[*:1])NC1CCCC1
CC(=O)Nc1ccc(-c2nc(NC3CCCC3)sc2C)cc1 C1CCC(C1)[*:1] CC(=O)Nc1ccc(cc1)-c1nc(N[*:1])sc1C
CC(=O)Nc1ccc(-c2nc(NC3CCCC3)sc2C)cc1 C1CCC(C1)N[*:1] CC(=O)Nc1ccc(cc1)-c1nc(sc1C)[*:1]
COc1cccc(N2CCN(C(=O)[C@@H](c3ccccc3)n3cccc3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)[C@@H](n1cccc1)[*:1]
COc1cccc(N2CCN(C(=O)[C@@H](c3ccccc3)n3cccc3)CC2)c1 c1ccn(c1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)[C@@H](c1ccccc1)[*:1]
COc1cccc(N2CCN(C(=O)[C@@H](c3ccccc3)n3cccc3)CC2)c1 COc1cccc(c1)[*:1] O=C([C@@H](c1ccccc1)n1cccc1)N1CCN(CC1)[*:1]
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3F)cc2)C1 Fc1ccccc1[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=S)N[*:1]
CCc1nn(C)cc1C[NH2+][C@H](C)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] CCc1nn(C)cc1C[NH2+][C@H](C)[*:1]
O=C(COc1cccc2c1CCC2=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(COc1cccc2C(=O)CCc12)N[*:1]
Cc1ccccc1CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1CNc1c(cc(CO)c(C)c1[N+](=O)[O-])[*:1]
Cc1ccccc1CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1CNc1c(cc(CO)c(C)c1[*:1])[N+](=O)[O-]
Cc1ccccc1CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] Cc1ccccc1C[*:1] Cc1c(cc(c(N[*:1])c1[N+](=O)[O-])[N+](=O)[O-])CO
Cc1ccccc1CNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-] Cc1ccccc1[*:1] Cc1c(cc(c(NC[*:1])c1[N+](=O)[O-])[N+](=O)[O-])CO
Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCSc2c(F)cccc21 Cc1cc(F)ccc1[*:1] O=C(N[C@H]1CCSc2c(F)cccc21)C(=O)N[*:1]
Cc1ccc(/C=C/C(=O)N(C)CC(=O)N(C)C)o1 CN(C)C(=O)C[*:1] Cc1ccc(/C=C/C(=O)N(C)[*:1])o1
Cc1ccc(/C=C/C(=O)N(C)CC(=O)N(C)C)o1 CN(C)C(=O)[*:1] Cc1ccc(/C=C/C(=O)N(C)C[*:1])o1
Cc1ccc(/C=C/C(=O)N(C)CC(=O)N(C)C)o1 Cc1ccc(o1)[*:1] CN(C)C(=O)CN(C)C(=O)C=C[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(Cl)ccc1C O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)Nc1cc(Cl)ccc1C)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)c(C)c1[*:1]
COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)c1C Fc1cccc(Cl)c1[*:1] COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](N(C)C)[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)c1C CN(C)[*:1] COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2c(F)cccc2Cl)[*:1])c1C
COCC[NH2+][C@H](C)[C@@H](C)c1cccnc1 COCC[*:1] C[C@@H](c1cccnc1)[C@@H](C)[NH2+][*:1]
COCC[NH2+][C@H](C)[C@@H](C)c1cccnc1 COC[*:1] C[C@@H](c1cccnc1)[C@@H](C)[NH2+]C[*:1]
CS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)NC[C@@H](c1c[nH]c2ccccc12)[*:1]
CS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
CS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 CS(=O)(=O)[*:1] O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)NC[C@@H](c1ccccc1)[*:1]
Clc1ccc(NCc2ccc[nH]2)cc1Br c1c[nH]c(c1)[*:1] Clc1ccc(cc1Br)NC[*:1]
Cc1sc(NC(=O)C2CC2)c(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1C c1ccc(cc1)N[*:1] Cc1sc(NC(=O)C2CC2)c(C(=O)N2CC[C@H](C2)[*:1])c1C
Cc1sc(NC(=O)C2CC2)c(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1C C1CC1[*:1] Cc1sc(NC(=O)[*:1])c(C(=O)N2CC[C@@H](C2)Nc2ccccc2)c1C
Cc1sc(NC(=O)C2CC2)c(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1C c1ccc(cc1)[*:1] Cc1sc(NC(=O)C2CC2)c(C(=O)N2CC[C@@H](C2)N[*:1])c1C
Cc1sc(NC(=O)C2CC2)c(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1C O=C(N[*:1])C1CC1 Cc1sc(c(C(=O)N2CC[C@@H](C2)Nc2ccccc2)c1C)[*:1]
COc1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C CN(C)c1ccc(cn1)[*:1] COc1ccc(cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C)C(=O)N[*:1]
COc1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C CN(C)[*:1] COc1ccc(cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C)C(=O)Nc1ccc(nc1)[*:1]
CC(C)c1noc([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 c1nnnn1C[*:1] CC(C)c1noc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)c1noc([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 c1nnnn1[*:1] CC(C)c1noc(n1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CC(C)c1noc([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 CC(C)[*:1] O=C(Cn1cnnn1)N1CCC[C@H](C1)c1nc(no1)[*:1]
CCC(CC)n1ccc(C[C@]2(O)CS[C@H](C)C2)n1 CCC(CC)[*:1] C[C@@H]1C[C@@](O)(CS1)Cc1ccn(n1)[*:1]
COc1ccc(OC)c(NC(=O)[C@@H](C)n2cnc3nc4c(cc3c2=O)CCCC4)c1 COc1ccc(OC)c(c1)[*:1] C[C@H](C(=O)N[*:1])n1cnc2nc3CCCCc3cc2c1=O
CCC1(C[NH2+][C@H](C)c2cnc(C)s2)CC1 CCC1(CC1)[*:1] Cc1ncc(s1)[C@@H](C)[NH2+]C[*:1]
O=C(CCSc1ccc(Cl)cc1)NC[C@@H]1CCCN(c2ncccn2)C1 Clc1ccc(cc1)[*:1] O=C(CCS[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
O=C(CCSc1ccc(Cl)cc1)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(CCSc1ccc(Cl)cc1)NC[C@@H]1CCCN(C1)[*:1]
O=C(CCSc1ccc(Cl)cc1)NC[C@@H]1CCCN(c2ncccn2)C1 Clc1ccc(cc1)S[*:1] O=C(CC[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccs3)o2)cc1 N#CCC[*:1] Cc1ccc(cc1)N(C(=O)[C@H](C)Sc1nnc(o1)-c1cccs1)[*:1]
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccs3)o2)cc1 Cc1ccc(cc1)[*:1] C[C@H](Sc1nnc(o1)-c1cccs1)C(=O)N(CCC#N)[*:1]
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccs3)o2)cc1 N#CC[*:1] Cc1ccc(cc1)N(C[*:1])C(=O)[C@H](C)Sc1nnc(o1)-c1cccs1
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nnc(-c3cccs3)o2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N(CCC#N)C(=O)[C@H](C)Sc1nnc(o1)[*:1]
CCC[C@H](C)CS(=O)(=O)N(C)Cc1nc2c(s1)CCCC2 CCC[*:1] C[C@H](CS(=O)(=O)N(C)Cc1nc2CCCCc2s1)[*:1]
CCC[C@H](C)CS(=O)(=O)N(C)Cc1nc2c(s1)CCCC2 CCC[C@H](C)[*:1] CN(Cc1nc2CCCCc2s1)S(=O)(=O)C[*:1]
Cc1cscc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] Cc1cscc1C(=O)N[C@H](C(=O)[O-])[*:1]
Cc1cscc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] Cc1cscc1C(=O)N[C@H](c1ccccc1)[*:1]
Cc1cscc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 Cc1cscc1[*:1] O=C([O-])[C@@H](NC(=O)[*:1])c1ccccc1
Cc1cc(C)c(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)c(=O)[nH]1 Fc1cccc(c1)[*:1] Cc1cc(C)c(C(=O)N[C@H](C)c2nc(no2)[*:1])c(=O)[nH]1
COc1ccc([C@H](Cl)C2(C)CCCC2)cc1OC CC1(CCCC1)[*:1] COc1ccc(cc1OC)[C@H](Cl)[*:1]
Cn1nc(NC(=O)Cn2cc(-c3nccc4occc34)cn2)c2ccccc21 c1cc2occc2c(n1)[*:1] Cn1nc(NC(=O)Cn2cc(cn2)[*:1])c2ccccc21
Cc1cccc(NC(=O)c2cc(-n3cnnn3)ccc2Cl)n1 c1nnnn1[*:1] Cc1cccc(n1)NC(=O)c1cc(ccc1Cl)[*:1]
Cc1cccc(NC(=O)c2cc(-n3cnnn3)ccc2Cl)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1cc(ccc1Cl)-n1cnnn1
N#Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)CNC(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
N#Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 O=C(NCC1CC1)[*:1] N#Cc1ccc(cc1)CNC(=O)N1CCC[C@@H](C1)[*:1]
N#Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCC1CC1)[C@@H]1CCCN(C1)C(=O)NC[*:1]
N#Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 C1CC1C[*:1] N#Cc1ccc(cc1)CNC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCOc1nnc(CSc2cc3c(cc2Cl)OCCO3)s1 CCO[*:1] Clc1cc2OCCOc2cc1SCc1nnc(s1)[*:1]
CCn1nc(C)c(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1C N#Cc1nccnc1[*:1] CCn1nc(C)c(NC(=O)N2CCN(C[C@@H]2C)[*:1])c1C
CCn1nc(C)c(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1C CCn1nc(C)c(c1C)[*:1] C[C@H]1CN(CCN1C(=O)N[*:1])c1nccnc1C#N
CC(=O)c1ccc(N2CCN(C(=O)c3c([O-])on[n+]3-c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1c([O-])on[n+]1[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3c([O-])on[n+]3-c3ccccc3)CC2)cc1 CC(=O)[*:1] O=C(c1c([O-])on[n+]1-c1ccccc1)N1CCN(CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3c([O-])on[n+]3-c3ccccc3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(c1c([O-])on[n+]1-c1ccccc1)N1CCN(CC1)[*:1]
Fc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)cc1Cl c1ccc(cc1)[*:1] Fc1ccc(cc1Cl)C[NH2+]Cc1c[nH]nc1[*:1]
Cc1cccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CC(C)(C)CC3=O)c1 Cc1cccc(c1)NC(=O)[*:1] CC1(C)CC(=O)c2cc(c(=O)n(-c3ccccc3)c2C1)[*:1]
Cc1cccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CC(C)(C)CC3=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)c1cc2C(=O)CC(C)(C)Cc2n(c1=O)[*:1]
Cc1cccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CC(C)(C)CC3=O)c1 Cc1cccc(c1)[*:1] CC1(C)CC(=O)c2cc(C(=O)N[*:1])c(=O)n(-c3ccccc3)c2C1
CCC[NH2+][C@@H](C)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CCC[NH2+][C@@H](C)c1ccnc(c1)[*:1]
CCC[NH2+][C@@H](C)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CCC[NH2+][C@@H](C)c1ccnc(c1)O[*:1]
CCC[NH2+][C@@H](C)c1ccnc(OC(C)(C)C)c1 CCC[*:1] C[C@H]([NH2+][*:1])c1ccnc(c1)OC(C)(C)C
Cc1ccc(C)c(NC(=O)CCNc2nccc(N3CCC(O)CC3)n2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CCNc1nccc(n1)N1CCC(O)CC1)N[*:1]
Cc1ccc(C)c(NC(=O)CCNc2nccc(N3CCC(O)CC3)n2)c1 OC1CCN(CC1)[*:1] Cc1ccc(C)c(c1)NC(=O)CCNc1nccc(n1)[*:1]
CSCC[C@@H](C)N(C)C(=O)c1cnc([C@H]2CCCO2)s1 CSC[*:1] C[C@H](C[*:1])N(C)C(=O)c1cnc(s1)[C@H]1CCCO1
CSCC[C@@H](C)N(C)C(=O)c1cnc([C@H]2CCCO2)s1 CSCC[*:1] C[C@@H](N(C)C(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
CSCC[C@@H](C)N(C)C(=O)c1cnc([C@H]2CCCO2)s1 CSCC[C@@H](C)[*:1] CN(C(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
CSCC[C@@H](C)N(C)C(=O)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] CSCC[C@@H](C)N(C)C(=O)c1cnc(s1)[*:1]
CN(CC(=O)NCCc1ccc(Cl)cc1)c1nnc(N2CCCCC2=O)s1 Clc1ccc(cc1)CC[*:1] CN(CC(=O)N[*:1])c1nnc(s1)N1CCCCC1=O
CN(CC(=O)NCCc1ccc(Cl)cc1)c1nnc(N2CCCCC2=O)s1 O=C1CCCCN1[*:1] CN(CC(=O)NCCc1ccc(Cl)cc1)c1nnc(s1)[*:1]
CN(CC(=O)NCCc1ccc(Cl)cc1)c1nnc(N2CCCCC2=O)s1 Clc1ccc(cc1)C[*:1] CN(CC(=O)NC[*:1])c1nnc(s1)N1CCCCC1=O
CN(CC(=O)NCCc1ccc(Cl)cc1)c1nnc(N2CCCCC2=O)s1 Clc1ccc(cc1)[*:1] CN(CC(=O)NCC[*:1])c1nnc(s1)N1CCCCC1=O
CN(Cc1ccsc1)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 c1cc(cs1)C[*:1] CN(C(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1)[*:1]
CN(Cc1ccsc1)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 c1cc(cs1)[*:1] CN(C[*:1])C(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
CN(Cc1ccsc1)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] CN(Cc1ccsc1)C(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
CCCSc1ncnc2c1nc(C)n2CO CCCS[*:1] Cc1nc2c(ncnc2n1CO)[*:1]
CCCSc1ncnc2c1nc(C)n2CO CCC[*:1] Cc1nc2c(ncnc2n1CO)S[*:1]
O=C(Nc1cccc(C(=O)N2Cc3nc(-c4ccccc4)sc3C2)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(c1cccc(c1)NC(=O)[*:1])N1Cc2nc(sc2C1)-c1ccccc1
O=C(Nc1cccc(C(=O)N2Cc3nc(-c4ccccc4)sc3C2)c1)c1cccc(F)c1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C(=O)N1Cc2nc(sc2C1)[*:1])c1cccc(F)c1
O=C(Nc1cccc(C(=O)N2Cc3nc(-c4ccccc4)sc3C2)c1)c1cccc(F)c1 O=C(N[*:1])c1cccc(F)c1 O=C(c1cccc(c1)[*:1])N1Cc2nc(sc2C1)-c1ccccc1
Cc1cc(CCNS(=O)(=O)c2cccc(Cl)c2)on1 Cc1cc(on1)[*:1] O=S(=O)(NCC[*:1])c1cccc(Cl)c1
O=C(NCc1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CC[NH2+]CC1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1cnn(-c2ccc(cc2)[N+](=O)[O-])c1C1CC[NH2+]CC1
O=C(NCc1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CC[NH2+]CC1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1cnn(-c2ccc(cc2)[N+](=O)[O-])c1C1CC[NH2+]CC1
O=C(NCc1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CC[NH2+]CC1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NCc1ccccc1)c1cnn(c1C1CC[NH2+]CC1)[*:1]
O=C(NCc1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CC[NH2+]CC1 O=C(NCc1ccccc1)[*:1] O=[N+]([O-])c1ccc(cc1)-n1ncc(c1C1CC[NH2+]CC1)[*:1]
O=C(NCc1ccccc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CC[NH2+]CC1 O=[N+]([O-])[*:1] O=C(NCc1ccccc1)c1cnn(-c2ccc(cc2)[*:1])c1C1CC[NH2+]CC1
O=C(CN1C(=O)c2ccccc2C1=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)NC[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N[*:1]
O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(c1cc(nc2c1cnn2Cc1ccncc1)-c1ccccc1)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)CC1)NC1CC1 c1cc(ccn1)C[*:1] O=C(CN1CCN(CC1)C(=O)c1cc(nc2c1cnn2[*:1])-c1ccccc1)NC1CC1
O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)CC1)NC1CC1 c1cc(ccn1)[*:1] O=C(CN1CCN(CC1)C(=O)c1cc(nc2c1cnn2C[*:1])-c1ccccc1)NC1CC1
O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)C(=O)c1cc(nc2c1cnn2Cc1ccncc1)-c1ccccc1)N[*:1]
O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(c1cc(nc2c1cnn2Cc1ccncc1)-c1ccccc1)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)CC1)NC1CC1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)c1cc(nc2c1cnn2Cc1ccncc1)[*:1])NC1CC1
CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)C[NH+]2CCC(CCc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)C[NH+]1CCC(CC1)CC[*:1]
NC(=O)c1ccc(NC(=O)C[NH+]2CCC(CCc3ccccc3)CC2)cc1 NC(=O)[*:1] O=C(C[NH+]1CCC(CCc2ccccc2)CC1)Nc1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)C[NH+]2CCC(CCc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] NC(=O)c1ccc(cc1)NC(=O)C[NH+]1CCC(CC1)C[*:1]
NC(=O)c1ccc(NC(=O)C[NH+]2CCC(CCc3ccccc3)CC2)cc1 c1ccc(cc1)CC[*:1] NC(=O)c1ccc(cc1)NC(=O)C[NH+]1CCC(CC1)[*:1]
NC(=O)c1ccc(NC(=O)C[NH+]2CCC(CCc3ccccc3)CC2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CCc2ccccc2)CC1)N[*:1]
COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(Cl)cc1)CC2 O=C([O-])C[*:1] COc1cc2CCN(C(=O)Nc3ccc(Cl)cc3)[C@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(Cl)cc1)CC2 O=C([O-])[*:1] COc1cc2CCN(C(=O)Nc3ccc(Cl)cc3)[C@H](C[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(Cl)cc1)CC2 Clc1ccc(cc1)[*:1] COc1cc2CCN(C(=O)N[*:1])[C@H](CC(=O)[O-])c2cc1OC
CC[C@H](C)N(Cc1ccncc1)C(=O)c1cc(S(N)(=O)=O)ccc1C c1cc(ccn1)[*:1] CC[C@H](C)N(C[*:1])C(=O)c1cc(ccc1C)S(N)(=O)=O
CC[C@H](C)N(Cc1ccncc1)C(=O)c1cc(S(N)(=O)=O)ccc1C CC[C@H](C)[*:1] Cc1ccc(cc1C(=O)N(Cc1ccncc1)[*:1])S(N)(=O)=O
CC[C@H](C)N(Cc1ccncc1)C(=O)c1cc(S(N)(=O)=O)ccc1C NS(=O)(=O)[*:1] CC[C@H](C)N(Cc1ccncc1)C(=O)c1cc(ccc1C)[*:1]
CC[C@H](C)N(Cc1ccncc1)C(=O)c1cc(S(N)(=O)=O)ccc1C c1cc(ccn1)C[*:1] CC[C@H](C)N(C(=O)c1cc(ccc1C)S(N)(=O)=O)[*:1]
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2nc(Cl)ncc2F)c(OC)c1 Fc1cnc(Cl)nc1O[*:1] COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(c(c1)OC)[*:1]
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2nc(Cl)ncc2F)c(OC)c1 Fc1cnc(Cl)nc1[*:1] COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O[*:1])c(c1)OC
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2nc(Cl)ncc2F)c(OC)c1 COc1ccccc1[*:1] COc1cc(/C=C(/C#N)C(=O)N[*:1])ccc1Oc1nc(Cl)ncc1F
C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(CC1)C(=O)[*:1]
C=C(C)Cc1ccc(F)cc1 C=C(C)[*:1] Fc1ccc(cc1)C[*:1]
CCOC(=O)CCC(=O)N(C)CC(C)(C)O CCOC(=O)[*:1] CN(CC(C)(C)O)C(=O)CC[*:1]
CCOC(=O)CCC(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] CCOC(=O)CCC(=O)N(C)C[*:1]
CCOC(=O)CCC(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] CCOC(=O)CCC(=O)N(C)[*:1]
CC[C@@](C)([C@@H](Cc1ccc(Cl)s1)NC)[NH+]1CCCCC1 Clc1ccc(s1)[*:1] CC[C@@](C)([C@@H](C[*:1])NC)[NH+]1CCCCC1
CN(C)C(=O)Cn1cc(NC(=O)Nc2ccc(F)c(Cl)c2)cn1 CN(C)C(=O)C[*:1] O=C(Nc1ccc(F)c(Cl)c1)Nc1cnn(c1)[*:1]
CN(C)C(=O)Cn1cc(NC(=O)Nc2ccc(F)c(Cl)c2)cn1 CN(C)C(=O)[*:1] O=C(Nc1ccc(F)c(Cl)c1)Nc1cnn(c1)C[*:1]
COc1ccc(-c2nnc3ccc(Sc4ccccc4)nn23)cc1 COc1ccc(cc1)[*:1] c1ccc(cc1)Sc1ccc2nnc(n2n1)[*:1]
COc1ccc(-c2nnc3ccc(Sc4ccccc4)nn23)cc1 c1ccc(cc1)S[*:1] COc1ccc(cc1)-c1nnc2ccc(nn12)[*:1]
COc1ccc(-c2nnc3ccc(Sc4ccccc4)nn23)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nnc2ccc(nn12)S[*:1]
CCN(CC)c1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(CC)c1ncnc(NCc2ccccc2Cl)c1[*:1]
CCN(CC)c1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] CCN(CC)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NCc1ccccc1Cl
CCN(CC)c1ncnc(NCc2ccccc2Cl)c1[N+](=O)[O-] Clc1ccccc1[*:1] CCN(CC)c1ncnc(NC[*:1])c1[N+](=O)[O-]
CCCCNC(=O)Cn1c(CC)nc2ccccc2c1=O CCC[*:1] CCc1nc2ccccc2c(=O)n1CC(=O)NC[*:1]
CCCCNC(=O)Cn1c(CC)nc2ccccc2c1=O CCCCNC(=O)[*:1] CCc1nc2ccccc2c(=O)n1C[*:1]
CCCCNC(=O)Cn1c(CC)nc2ccccc2c1=O CCCC[*:1] CCc1nc2ccccc2c(=O)n1CC(=O)N[*:1]
COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccc(OC)c3)n2C)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)-c1nnc(S[C@H](C)C(=O)[*:1])n1C
COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccc(OC)c3)n2C)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)[C@@H](C)Sc1nnc(n1C)[*:1]
Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1
Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)cnn1-c1ccccn1 O=C(N1CCCCC1)[*:1] Cc1c(cnn1-c1ccccn1)[C@H](C)[NH2+][C@@H](C)[*:1]
CCOc1cccc(NCc2cn(C)nc2-c2cccnc2)n1 CCO[*:1] Cn1cc(CNc2cccc(n2)[*:1])c(n1)-c1cccnc1
CCOc1cccc(NCc2cn(C)nc2-c2cccnc2)n1 c1cncc(c1)[*:1] CCOc1cccc(n1)NCc1cn(C)nc1[*:1]
N#Cc1csc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)c1 N#Cc1csc(c1)[*:1] O=C(Nc1nnc(s1)-c1cccc(Cl)c1)[*:1]
N#Cc1csc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)c1 Clc1cccc(c1)[*:1] N#Cc1csc(c1)C(=O)Nc1nnc(s1)[*:1]
NC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc2c1CCCCC2 NC(=O)[*:1] O=C(Cc1ccc(Cl)cc1)Nc1sc2CCCCCc2c1[*:1]
NC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc2c1CCCCC2 Clc1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)C[*:1])sc2CCCCCc21
NC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc2c1CCCCC2 Clc1ccc(cc1)C[*:1] NC(=O)c1c(NC(=O)[*:1])sc2CCCCCc21
Cn1cc([C@@H](O)CNCc2cn(C)nc2-c2cccs2)cn1 Cn1cc(cn1)[*:1] Cn1cc(CNC[C@H](O)[*:1])c(n1)-c1cccs1
Cn1cc([C@@H](O)CNCc2cn(C)nc2-c2cccs2)cn1 c1csc(c1)[*:1] Cn1cc(cn1)[C@@H](O)CNCc1cn(C)nc1[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1c1cccs1 COCC[*:1] O=C([C@H]1c2ccccc2C(=O)N([C@@H]1c1cccs1)[*:1])N1CCN(CC1)c1cccc[nH+]1
COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1c1cccs1 c1csc(c1)[*:1] COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(CC2)c2cccc[nH+]2)[C@@H]1[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1c1cccs1 COC[*:1] O=C([C@H]1c2ccccc2C(=O)N(C[*:1])[C@@H]1c1cccs1)N1CCN(CC1)c1cccc[nH+]1
CC(C)c1nsc(NC(c2cccs2)c2cccs2)n1 c1csc(c1)[*:1] CC(C)c1nsc(n1)NC(c1cccs1)[*:1]
CC(C)c1nsc(NC(c2cccs2)c2cccs2)n1 CC(C)[*:1] c1csc(c1)C(Nc1nc(ns1)[*:1])c1cccs1
Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)N1CC[NH+](CC1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CC[NH+](CC1)C1CCCC1)[*:1]
COCC[NH2+]C[C@](C)(O)[C@H]1CCOC2(CCCC2)C1 COC[*:1] C[C@](O)(C[NH2+]C[*:1])[C@H]1CCOC2(CCCC2)C1
COCC[NH2+]C[C@](C)(O)[C@H]1CCOC2(CCCC2)C1 COCC[*:1] C[C@](O)(C[NH2+][*:1])[C@H]1CCOC2(CCCC2)C1
CCc1n[nH]c(=S)n1NCc1ccc(-c2ccccc2F)o1 Fc1ccccc1[*:1] CCc1n[nH]c(=S)n1NCc1ccc(o1)[*:1]
Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(F)c(F)c2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@@H](O)[*:1])C(=O)Nc1ccc(F)c(F)c1
O=C(c1cn[nH]c1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O O[C@H]1CCC[C@@H]1[*:1] O=C(c1cn[nH]c1)N1CCCC[C@H]1[*:1]
O=C(c1cn[nH]c1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O c1n[nH]cc1[*:1] O=C(N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)[*:1]
O=C1[C@H]2CCCN2[C@H](c2cccc(Br)c2)N1c1ccc(Cl)cc1 Brc1cccc(c1)[*:1] O=C1[C@H]2CCCN2[C@H](N1c1ccc(Cl)cc1)[*:1]
O=C1[C@H]2CCCN2[C@H](c2cccc(Br)c2)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1[C@H]2CCCN2[C@H](c2cccc(Br)c2)N1[*:1]
C/C=C(/C)C(=O)NCc1ccc(OCc2ccccc2)cc1 CC=C(C)[*:1] O=C(NCc1ccc(cc1)OCc1ccccc1)[*:1]
C/C=C(/C)C(=O)NCc1ccc(OCc2ccccc2)cc1 C/C=C(/C)C(=O)N[*:1] c1ccc(cc1)COc1ccc(cc1)C[*:1]
C/C=C(/C)C(=O)NCc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] C/C=C(/C)C(=O)NCc1ccc(cc1)O[*:1]
C/C=C(/C)C(=O)NCc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] C/C=C(/C)C(=O)NCc1ccc(cc1)OC[*:1]
C[C@@H](NC(=O)N1CCCC[C@H]1C1OCCO1)c1c(F)cccc1Cl C1COC(O1)[*:1] C[C@@H](NC(=O)N1CCCC[C@@H]1[*:1])c1c(F)cccc1Cl
C[C@@H](NC(=O)N1CCCC[C@H]1C1OCCO1)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] C[C@@H](NC(=O)N1CCCC[C@H]1C1OCCO1)[*:1]
COc1ccc([C@@H](NC(=O)N[C@H]2COc3ccccc32)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[C@H]1COc2ccccc21)[*:1]
COc1ccc([C@@H](NC(=O)N[C@H]2COc3ccccc32)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H](C1CCOCC1)[*:1])N[C@H]1COc2ccccc21
COc1ccc([C@@H](NC(=O)N[C@H]2COc3ccccc32)C2CCOCC2)cc1 c1ccc2c(c1)OC[C@@H]2[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[*:1])C1CCOCC1
CCCc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1 CCC[*:1] O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(cc1)[*:1]
Cc1cc2nnc(SCC(=O)NCc3cccc(Cl)c3)n2c2ccccc12 Clc1cccc(c1)C[*:1] Cc1cc2nnc(SCC(=O)N[*:1])n2c2ccccc12
Cc1cc2nnc(SCC(=O)NCc3cccc(Cl)c3)n2c2ccccc12 Clc1cccc(c1)[*:1] Cc1cc2nnc(SCC(=O)NC[*:1])n2c2ccccc12
Cc1cc(C)n(-c2ccc(CNC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)cn2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCc1ccc(nc1)[*:1])c1cccc(c1)NC(=O)[C@H]1CCCO1
C[C@H](CCc1ccccc1)CC(=O)Nc1cccc(Cl)c1C(N)=O c1ccc(cc1)[*:1] C[C@H](CC[*:1])CC(=O)Nc1cccc(Cl)c1C(N)=O
C[C@H](CCc1ccccc1)CC(=O)Nc1cccc(Cl)c1C(N)=O c1ccc(cc1)C[*:1] C[C@@H](CC(=O)Nc1cccc(Cl)c1C(N)=O)C[*:1]
C[C@H](CCc1ccccc1)CC(=O)Nc1cccc(Cl)c1C(N)=O NC(=O)[*:1] C[C@H](CCc1ccccc1)CC(=O)Nc1cccc(Cl)c1[*:1]
C[C@H](CCc1ccccc1)CC(=O)Nc1cccc(Cl)c1C(N)=O c1ccc(cc1)CC[*:1] C[C@H](CC(=O)Nc1cccc(Cl)c1C(N)=O)[*:1]
C[C@@H](NCCOc1cccnc1)c1nc2c(s1)CCCC2 c1cncc(c1)[*:1] C[C@@H](NCCO[*:1])c1nc2CCCCc2s1
C[C@@H](NCCOc1cccnc1)c1nc2c(s1)CCCC2 c1cncc(c1)O[*:1] C[C@@H](NCC[*:1])c1nc2CCCCc2s1
COc1ccc(OC)c(CN(C(=O)c2cc(SC)ccc2Cl)C2CC2)c1 C1CC1[*:1] COc1ccc(OC)c(c1)CN(C(=O)c1cc(ccc1Cl)SC)[*:1]
CCOc1cc(C#N)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] CCOc1cc(C#N)cc(c1[O-])[*:1]
CCOc1cc(C#N)cc([N+](=O)[O-])c1[O-] CCO[*:1] N#Cc1cc(c([O-])c(c1)[*:1])[N+](=O)[O-]
CC(C)(C)c1n[nH]c(SCC(=O)NC2CCCCC2)n1 CC(C)(C)[*:1] O=C(CSc1nc(n[nH]1)[*:1])NC1CCCCC1
CC(C)(C)c1n[nH]c(SCC(=O)NC2CCCCC2)n1 C1CCC(CC1)[*:1] CC(C)(C)c1n[nH]c(n1)SCC(=O)N[*:1]
O=C1CC[C@]2(CCCO2)CCN1Cc1noc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C1CC[C@]2(CCCO2)CCN1Cc1noc(n1)[*:1]
COc1ccccc1N1CCN(C(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)CC1 c1ccc(cc1)CO[*:1] COc1ccccc1N1CCN(CC1)C(=O)Cn1cc(c(=O)cc1C)[*:1]
COc1ccccc1N1CCN(C(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)CC1 c1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)Cn1cc(OC[*:1])c(=O)cc1C
COc1ccccc1N1CCN(C(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)CC1 COc1ccccc1[*:1] Cc1cc(=O)c(cn1CC(=O)N1CCN(CC1)[*:1])OCc1ccccc1
COc1ccccc1N1CCN(C(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)CC1 c1ccc(cc1)C[*:1] COc1ccccc1N1CCN(CC1)C(=O)Cn1cc(O[*:1])c(=O)cc1C
COC(=O)CCSC1=NC(=O)[C@H]2C(=N1)c1ccccc1C[C@@]2(C)C1CCCCC1 COC(=O)[*:1] C[C@]1(Cc2ccccc2C2=NC(=NC(=O)[C@@H]21)SCC[*:1])C1CCCCC1
COC(=O)CCSC1=NC(=O)[C@H]2C(=N1)c1ccccc1C[C@@]2(C)C1CCCCC1 COC(=O)CC[*:1] C[C@]1(Cc2ccccc2C2=NC(=NC(=O)[C@@H]21)S[*:1])C1CCCCC1
COC(=O)CCSC1=NC(=O)[C@H]2C(=N1)c1ccccc1C[C@@]2(C)C1CCCCC1 C1CCC(CC1)[*:1] COC(=O)CCSC1=NC(=O)[C@H]2C(=N1)c1ccccc1C[C@]2(C)[*:1]
COC(=O)CCSC1=NC(=O)[C@H]2C(=N1)c1ccccc1C[C@@]2(C)C1CCCCC1 COC(=O)C[*:1] C[C@]1(Cc2ccccc2C2=NC(=NC(=O)[C@@H]21)SC[*:1])C1CCCCC1
C[C@H](Cl)c1nc2cccnc2n1[C@@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](Cl)c1nc2cccnc2n1[C@@H](C)[*:1]
C[C@H](Cl)c1nc2cccnc2n1[C@@H](C)c1cccc(Cl)c1 C[C@H](Cl)[*:1] C[C@@H](c1cccc(Cl)c1)n1c(nc2cccnc21)[*:1]
CCOC(=O)Cc1c(C)nc(SCc2ccccc2)[nH]c1=O c1ccc(cc1)C[*:1] CCOC(=O)Cc1c(C)nc([nH]c1=O)S[*:1]
CCOC(=O)Cc1c(C)nc(SCc2ccccc2)[nH]c1=O CCOC(=O)C[*:1] Cc1nc([nH]c(=O)c1[*:1])SCc1ccccc1
CCOC(=O)Cc1c(C)nc(SCc2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] CCOC(=O)Cc1c(C)nc([nH]c1=O)SC[*:1]
CCOC(=O)Cc1c(C)nc(SCc2ccccc2)[nH]c1=O CCOC(=O)[*:1] Cc1nc([nH]c(=O)c1C[*:1])SCc1ccccc1
CC(C)Cc1cc(C(=O)N2CCN(c3ncnc4sccc34)CC2)[nH]n1 CC(C)[*:1] O=C(c1cc(C[*:1])n[nH]1)N1CCN(CC1)c1ncnc2sccc12
CC(C)Cc1cc(C(=O)N2CCN(c3ncnc4sccc34)CC2)[nH]n1 CC(C)C[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCN(CC1)c1ncnc2sccc12
O=C(CC1(O)CCCCC1)NNc1cccc(C(F)(F)F)n1 OC1(CCCCC1)[*:1] O=C(C[*:1])NNc1cccc(n1)C(F)(F)F
O=C(CC1(O)CCCCC1)NNc1cccc(C(F)(F)F)n1 FC(F)(F)[*:1] O=C(CC1(O)CCCCC1)NNc1cccc(n1)[*:1]
CC(C)[C@@H](c1ccc2nccnc2n1)[C@H](C)Cl C[C@H](Cl)[*:1] CC(C)[C@@H](c1ccc2nccnc2n1)[*:1]
CC(C)[C@@H](c1ccc2nccnc2n1)[C@H](C)Cl CC(C)[*:1] C[C@H](Cl)[C@H](c1ccc2nccnc2n1)[*:1]
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] O=C(NNC(=O)c1c[nH]c2ccccc12)c1cccc(c1)[*:1]
CCCCOC(=O)CN1CCC(NC(N)=O)CC1 CCC[*:1] NC(=O)NC1CCN(CC1)CC(=O)OC[*:1]
CCCCOC(=O)CN1CCC(NC(N)=O)CC1 CCCC[*:1] NC(=O)NC1CCN(CC1)CC(=O)O[*:1]
CCCCOC(=O)CN1CCC(NC(N)=O)CC1 NC(=O)N[*:1] CCCCOC(=O)CN1CCC(CC1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)cc1 CC(=O)N[*:1] C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@@H](C)Sc1nn(c(=S)s1)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 CCS(=O)(=O)[*:1] O=C(Nc1nc2ccc(cc2s1)Oc1ccccc1)c1ccccc1[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 c1ccc(cc1)[*:1] CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(cc2s1)O[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 c1ccc(cc1)O[*:1] CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(cc2s1)[*:1]
Cc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] Cc1nn(C)c2c1[nH]c(=S)n2[*:1]
Cc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)C1CC1 C1CC1[*:1] Cc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)[*:1]
CCN(Cc1ccccc1)C(=O)CN1C(=O)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@H]21 Cc1cc(C)cc(c1)[*:1] CCN(Cc1ccccc1)C(=O)CN1C(=O)N([C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
CCN(Cc1ccccc1)C(=O)CN1C(=O)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@H]21 c1ccc(cc1)C[*:1] CCN(C(=O)CN1C(=O)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
CCN(Cc1ccccc1)C(=O)CN1C(=O)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@H]21 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CN1C(=O)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@H]21
CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] CCOC(=O)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)NC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 CC(C)[*:1] CC(C)NC(=S)NC(=O)c1ccc(O[*:1])c(Br)c1
CC(C)NC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 CC(C)O[*:1] CC(C)NC(=S)NC(=O)c1ccc(c(Br)c1)[*:1]
CC(C)NC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 CC(C)[*:1] CC(C)Oc1ccc(cc1Br)C(=O)NC(=S)N[*:1]
O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 O=C([O-])[*:1] O=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@H]1C(=O)N1CCC[C@H]1[*:1]
CCOc1c(F)cccc1C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O CS(=O)(=O)[*:1] CCOc1c(F)cccc1C(=O)N(C)[C@H](C)[C@@H](C)[*:1]
CCOc1c(F)cccc1C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O CCO[*:1] C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cccc(F)c1[*:1]
COCc1cc(C(=O)N2CC[C@@H](c3ccccc3OC)C2)no1 COC[*:1] COc1ccccc1[C@@H]1CCN(C1)C(=O)c1cc(on1)[*:1]
CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)NCc3cccs3)ccc21 c1csc(c1)[*:1] CC(C)CN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)NC[*:1]
CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)NCc3cccs3)ccc21 CC(C)C[*:1] CC1(C)COc2cc(ccc2N(C1=O)[*:1])NC(=O)NCc1cccs1
CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)NCc3cccs3)ccc21 c1csc(c1)C[*:1] CC(C)CN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)N[*:1]
CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)NCc3cccs3)ccc21 CC(C)[*:1] CC1(C)COc2cc(ccc2N(C[*:1])C1=O)NC(=O)NCc1cccs1
COC[C@](C)(NC(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1ccccc1 COC[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)N[C@@](C)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1ccccc1 C[S@@](=O)[*:1] COC[C@](C)(NC(=O)Nc1ccc(c(F)c1)[*:1])c1ccccc1
COC[C@](C)(NC(=O)Nc1ccc([S@@](C)=O)c(F)c1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)Nc1ccc(c(F)c1)[S@@](C)=O)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(CC(N)=O)CC2)c1C NC(=O)C[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(CC(N)=O)CC2)c1C NC(=O)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C[*:1]
CC(C)(C)N1CCC(=O)N([C@@H]2CCOC2)C1=O C1C[C@H](CO1)[*:1] CC(C)(C)N1CCC(=O)N(C1=O)[*:1]
CC(C)(C)N1CCC(=O)N([C@@H]2CCOC2)C1=O CC(C)(C)[*:1] O=C1CCN(C(=O)N1[C@@H]1CCOC1)[*:1]
Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 Cn1cnc(c1)[*:1] C[NH+](C)[C@H]1CCC[C@@H](C1)NC(=O)CNS(=O)(=O)[*:1]
CCOc1ccccc1NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 CCO[*:1] FC(F)(F)c1cc(ccc1Cl)NC(=S)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] CCOc1ccccc1NC(=S)Nc1ccc(Cl)c(c1)[*:1]
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(c4ccc(F)cc4)CCOCC3)c2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)NCC1(CCOCC1)[*:1]
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(c4ccc(F)cc4)CCOCC3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)c1ccc(F)cc1)c1cccc(c1)S(=O)(=O)N[*:1]
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(c4ccc(F)cc4)CCOCC3)c2)cc1 Cc1ccc(cc1)NS(=O)(=O)[*:1] O=C(NCC1(CCOCC1)c1ccc(F)cc1)c1cccc(c1)[*:1]
CC(=O)c1sc(NC(=O)c2cnn(-c3ccccc3)n2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)c1cnn(n1)[*:1]
CC(=O)c1sc(NC(=O)c2cnn(-c3ccccc3)n2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1sc(nc1[*:1])NC(=O)c1cnn(n1)-c1ccccc1
CC(=O)c1sc(NC(=O)c2cnn(-c3ccccc3)n2)nc1-c1ccccc1 CC(=O)[*:1] O=C(Nc1nc(-c2ccccc2)c(s1)[*:1])c1cnn(n1)-c1ccccc1
CCOC(=O)c1ccc(C(=O)OCC)cc1 CCOC(=O)[*:1] CCOC(=O)c1ccc(cc1)[*:1]
C[C@H](Cc1cccs1)[NH2+][C@H](C)c1ccc(F)cn1 c1csc(c1)C[*:1] C[C@@H]([NH2+][C@@H](C)[*:1])c1ccc(F)cn1
C[C@H](Cc1cccs1)[NH2+][C@H](C)c1ccc(F)cn1 c1csc(c1)[*:1] C[C@H](C[*:1])[NH2+][C@H](C)c1ccc(F)cn1
Cc1ccc(C)c(-c2csc(C(=O)[O-])n2)c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)-c1csc(n1)[*:1]
Cc1ncc(CC(CO)(CO)c2ccc(Cl)cc2)s1 Cc1ncc(s1)[*:1] OCC(CO)(C[*:1])c1ccc(Cl)cc1
Cc1nc(NCCNC(=O)Nc2cccc(Cl)c2C)cc(-n2cc[nH+]c2C)n1 Cc1c(Cl)cccc1[*:1] Cc1nc(cc(n1)-n1cc[nH+]c1C)NCCNC(=O)N[*:1]
COc1ccc(CCNc2ncnc3sc(C(=O)[O-])c(C)c23)cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)CCNc1ncnc2sc(c(C)c12)[*:1]
Cc1ccc([C@@H](C)CNC(=O)N[C@@H]2CCc3c(O)cccc32)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@@H]1CCc2c(O)cccc21)[*:1]
CN(Cc1nc2ccccc2n1C(F)F)C(=O)COc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CN(Cc1nc2ccccc2n1C(F)F)C(=O)COc1ccc(cc1)[*:1]
CN(Cc1nc2ccccc2n1C(F)F)C(=O)COc1ccc(N2CCCC2=O)cc1 FC(F)[*:1] CN(Cc1nc2ccccc2n1[*:1])C(=O)COc1ccc(cc1)N1CCCC1=O
CC(=O)Oc1ccc2cc(-c3nc(-c4ccc(Cl)cc4)c(C)s3)c(=O)oc2c1 Clc1ccc(cc1)[*:1] CC(=O)Oc1ccc2cc(-c3nc(c(C)s3)[*:1])c(=O)oc2c1
CC(=O)Oc1ccc2cc(-c3nc(-c4ccc(Cl)cc4)c(C)s3)c(=O)oc2c1 CC(=O)O[*:1] Cc1sc(nc1-c1ccc(Cl)cc1)-c1cc2ccc(cc2oc1=O)[*:1]
O=C(Cc1ccccc1)NCCC(=O)Oc1cccc(Cl)c1Cl c1ccc(cc1)C[*:1] O=C(CCNC(=O)[*:1])Oc1cccc(Cl)c1Cl
O=C(Cc1ccccc1)NCCC(=O)Oc1cccc(Cl)c1Cl c1ccc(cc1)[*:1] O=C(C[*:1])NCCC(=O)Oc1cccc(Cl)c1Cl
C[NH+](Cc1nc(-c2cccnc2)no1)CC1CCC(C)(C)CC1 c1cncc(c1)[*:1] C[NH+](Cc1nc(no1)[*:1])CC1CCC(C)(C)CC1
O=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1ccc(Cl)cn1)c1cc(ccc1N1CCCC1)[*:1]
O=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 C1CCN(C1)[*:1] O=C(Nc1ccc(Cl)cn1)c1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1
O=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 Clc1ccc(nc1)[*:1] O=C(N[*:1])c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCCCC1
O=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 O=C(Nc1ccc(Cl)cn1)[*:1] O=S(=O)(c1ccc(c(c1)[*:1])N1CCCC1)N1CCCCC1
COc1cc(CNc2ccc(C(N)=O)cc2)ccc1OC(F)F NC(=O)[*:1] COc1cc(ccc1OC(F)F)CNc1ccc(cc1)[*:1]
COc1cc(CNc2ccc(C(N)=O)cc2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])CNc1ccc(cc1)C(N)=O
COc1cc(CNc2ccc(C(N)=O)cc2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])CNc1ccc(cc1)C(N)=O
Cc1c(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)cc(C#N)n1C O=C(N1CCCCC1)[*:1] Cc1c(cc(C#N)n1C)C[NH+]1CCN(CC1)C[*:1]
Cc1cccc([C@H](C)CNC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)C=C1CN(C1)C(=O)OC(C)(C)C)[*:1]
Cc1cccc([C@H](C)CNC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@H](C)CNC(=O)C=C1CN(C1)C(=O)O[*:1]
CCOc1ccccc1CNC(=O)c1cc2oc3ccccc3c2n1C CCO[*:1] Cn1c(cc2oc3ccccc3c21)C(=O)NCc1ccccc1[*:1]
O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H]1C1CCCC1 C1CCC(C1)[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H]1[*:1]
Cc1cc(C)c(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(COC(=O)C1CCN(CC1)S(=O)(=O)c1cccs1)N[*:1]
C[C@]([NH2+]C[C@H]1Cc2ccccc2O1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@]([NH2+]C[C@H]1Cc2ccccc2O1)(C(=O)[O-])[*:1]
C[C@]([NH2+]C[C@H]1Cc2ccccc2O1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@]([NH2+]C[C@H]1Cc2ccccc2O1)(C(F)(F)F)[*:1]
O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCCc1nc(no1)-c1ccc(F)cc1)N[*:1]
O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCCc1nc(no1)[*:1])Nc1ccc(F)cc1
Cc1ccc(C(=O)C2CCN(c3ncccc3C#N)CC2)c(C)c1 N#Cc1cccnc1[*:1] Cc1ccc(C(=O)C2CCN(CC2)[*:1])c(C)c1
Cc1ccc(C(=O)C2CCN(c3ncccc3C#N)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] N#Cc1cccnc1N1CCC(CC1)C(=O)[*:1]
CCCOc1cc(C[NH+]2CCC(N3CCCNC3=O)CC2)ccc1OC O=C1NCCCN1[*:1] CCCOc1cc(ccc1OC)C[NH+]1CCC(CC1)[*:1]
CCCOc1cc(C[NH+]2CCC(N3CCCNC3=O)CC2)ccc1OC CCCO[*:1] COc1ccc(cc1[*:1])C[NH+]1CCC(CC1)N1CCCNC1=O
CCCOc1cc(C[NH+]2CCC(N3CCCNC3=O)CC2)ccc1OC CCC[*:1] COc1ccc(cc1O[*:1])C[NH+]1CCC(CC1)N1CCCNC1=O
c1cncc(-c2nc(NCc3ccncc3)c3ccccc3n2)c1 c1cc(ccn1)C[*:1] c1cncc(c1)-c1nc(N[*:1])c2ccccc2n1
c1cncc(-c2nc(NCc3ccncc3)c3ccccc3n2)c1 c1cncc(c1)[*:1] c1ccc2c(nc(nc2c1)[*:1])NCc1ccncc1
c1cncc(-c2nc(NCc3ccncc3)c3ccccc3n2)c1 c1cc(ccn1)CN[*:1] c1cncc(c1)-c1nc(c2ccccc2n1)[*:1]
c1cncc(-c2nc(NCc3ccncc3)c3ccccc3n2)c1 c1cc(ccn1)[*:1] c1cncc(c1)-c1nc(NC[*:1])c2ccccc2n1
Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)c1cc2c(s1)CCCC2 c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])[C@H](C#N)C(=O)c1cc2CCCCc2s1
CCONC(=O)/C=C/c1cccc2cccnc12 CCONC(=O)[*:1] C(=C[*:1])c1cccc2cccnc12
O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1ccccc1[*:1]
O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1ccccc1N1CCOCC1 c1ccc(cc1)[*:1] O=C(CSc1ncnc2scc(c12)[*:1])Nc1ccccc1N1CCOCC1
c1ccc(C2=NNc3nc(-c4ccccc4)c(-c4ccccc4)n3C2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)C1Cn2c(nc(-c3ccccc3)c2[*:1])NN=1
c1ccc(C2=NNc3nc(-c4ccccc4)c(-c4ccccc4)n3C2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nc2NN=C(Cn2c1-c1ccccc1)[*:1]
c1ccc(C2=NNc3nc(-c4ccccc4)c(-c4ccccc4)n3C2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)C1Cn2c(nc(c2-c2ccccc2)[*:1])NN=1
Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 Cc1cnn(c1)[*:1] O=C(c1cc2ccccc2[nH]1)N1CCC(CC1)(C(=O)[O-])[*:1]
Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 O=C([O-])[*:1] Cc1cnn(c1)C1(CCN(CC1)C(=O)c1cc2ccccc2[nH]1)[*:1]
C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)s1)[C@@H]1CCOC1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]Cc1ncc(s1)[*:1])[C@@H]1CCOC1
COC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 COC[C@@H](C)[*:1] Cc1ccc(C)c(c1)N1C[C@H](CC1=O)C(=O)N[*:1]
COC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 COC[*:1] Cc1ccc(C)c(c1)N1C[C@H](CC1=O)C(=O)N[C@H](C)[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] CN(Cc1ccc2OCOc2c1)C(=O)c1[nH]nc(c1Cl)[*:1]
CCc1nn(C)cc1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCc1nn(C)cc1CNC(=O)CNC(=O)c1cccc(c1)[*:1]
CCc1nn(C)cc1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 CCc1nn(C)cc1[*:1] O=C(CNC(=O)c1cccc(c1)[N+](=O)[O-])NC[*:1]
CS(=O)(=O)N[C@H](CCO)c1ccccc1 OCC[*:1] CS(=O)(=O)N[C@H](c1ccccc1)[*:1]
CS(=O)(=O)N[C@H](CCO)c1ccccc1 CS(=O)(=O)N[*:1] OCC[C@H](c1ccccc1)[*:1]
N#Cc1nc(/C=C/c2cccc([N+](=O)[O-])c2)oc1N1CCN(C(=O)COc2ccccc2F)CC1 O=[N+]([O-])[*:1] N#Cc1nc(/C=C/c2cccc(c2)[*:1])oc1N1CCN(CC1)C(=O)COc1ccccc1F
N#Cc1nc(/C=C/c2cccc([N+](=O)[O-])c2)oc1N1CCN(C(=O)COc2ccccc2F)CC1 Fc1ccccc1[*:1] N#Cc1nc(/C=C/c2cccc(c2)[N+](=O)[O-])oc1N1CCN(CC1)C(=O)CO[*:1]
N#Cc1nc(/C=C/c2cccc([N+](=O)[O-])c2)oc1N1CCN(C(=O)COc2ccccc2F)CC1 Fc1ccccc1O[*:1] N#Cc1nc(/C=C/c2cccc(c2)[N+](=O)[O-])oc1N1CCN(CC1)C(=O)C[*:1]
N#Cc1nc(/C=C/c2cccc([N+](=O)[O-])c2)oc1N1CCN(C(=O)COc2ccccc2F)CC1 O=[N+]([O-])c1cccc(C=C[*:1])c1 N#Cc1nc(oc1N1CCN(CC1)C(=O)COc1ccccc1F)[*:1]
N#Cc1nc(/C=C/c2cccc([N+](=O)[O-])c2)oc1N1CCN(C(=O)COc2ccccc2F)CC1 O=[N+]([O-])c1cccc(c1)[*:1] N#Cc1nc(C=C[*:1])oc1N1CCN(CC1)C(=O)COc1ccccc1F
N#Cc1nc(/C=C/c2cccc([N+](=O)[O-])c2)oc1N1CCN(C(=O)COc2ccccc2F)CC1 Fc1ccccc1OC[*:1] N#Cc1nc(/C=C/c2cccc(c2)[N+](=O)[O-])oc1N1CCN(CC1)C(=O)[*:1]
CC(C)=C[C@@H]1[C@H](C(=O)Nc2[nH+]cccc2[O-])C1(C)C CC(C)=C[*:1] CC1(C)[C@@H](C(=O)Nc2[nH+]cccc2[O-])[C@H]1[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccnc2N2CCCCC2)C1 C1CCN(CC1)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)c1cccnc1[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccnc2N2CCCCC2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cccnc1N1CCCCC1
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccnc2N2CCCCC2)C1 O=C(Nc1ccccc1)[*:1] O=C(c1cccnc1N1CCCCC1)N1CCC[C@@H](C1)[*:1]
C[C@H]1CN(CCNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C[C@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(CCNC(=O)c2cc(C3CC3)n(n2)[*:1])C[C@H](C)O1
C[C@H]1CN(CCNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C[C@H](C)O1 C1CC1[*:1] C[C@H]1CN(CCNC(=O)c2cc(n(n2)C(C)(C)C)[*:1])C[C@H](C)O1
c1ccc(C(NC2=[NH+]CCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)C(NC1CCC[NH+]=1)[*:1]
COC(=O)c1ccccc1-n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(C)cc2)c1=O COC(=O)c1ccccc1[*:1] Cc1ccc(cc1)CNC(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
COC(=O)c1ccccc1-n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(C)cc2)c1=O COC(=O)[*:1] Cc1ccc(cc1)CNC(=O)Cn1c(=O)n(-c2ccccc2[*:1])c(=O)c2ccccc21
COC(=O)c1ccccc1-n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(C)cc2)c1=O Cc1ccc(cc1)[*:1] COC(=O)c1ccccc1-n1c(=O)c2ccccc2n(CC(=O)NC[*:1])c1=O
COC(=O)c1ccccc1-n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(C)cc2)c1=O Cc1ccc(cc1)C[*:1] COC(=O)c1ccccc1-n1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
COC(=O)c1ccccc1-n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(C)cc2)c1=O Cc1ccc(cc1)CNC(=O)[*:1] COC(=O)c1ccccc1-n1c(=O)c2ccccc2n(C[*:1])c1=O
CCCC(=O)N1CCC[C@@H](C(=O)N2CCC(OCc3ccccc3C)CC2)C1 Cc1ccccc1C[*:1] CCCC(=O)N1CCC[C@H](C1)C(=O)N1CCC(CC1)O[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)N2CCC(OCc3ccccc3C)CC2)C1 CCC[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)N2CCC(OCc3ccccc3C)CC2)C1 Cc1ccccc1[*:1] CCCC(=O)N1CCC[C@H](C1)C(=O)N1CCC(CC1)OC[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)N2CCC(OCc3ccccc3C)CC2)C1 Cc1ccccc1CO[*:1] CCCC(=O)N1CCC[C@H](C1)C(=O)N1CCC(CC1)[*:1]
COc1ccc(OC)c(C(=O)N2CCC3(CC[C@H](CNC(=O)c4ccccc4F)O3)CC2)c1 COc1ccc(OC)c(c1)[*:1] O=C(NC[C@H]1CCC2(CCN(CC2)C(=O)[*:1])O1)c1ccccc1F
COc1ccc(OC)c(C(=O)N2CCC3(CC[C@H](CNC(=O)c4ccccc4F)O3)CC2)c1 Fc1ccccc1[*:1] COc1ccc(OC)c(c1)C(=O)N1CCC2(CC[C@H](CNC(=O)[*:1])O2)CC1
COc1ccc(OC)c(C(=O)N2CCC3(CC[C@H](CNC(=O)c4ccccc4F)O3)CC2)c1 O=C(N[*:1])c1ccccc1F COc1ccc(OC)c(c1)C(=O)N1CCC2(CC[C@H](C[*:1])O2)CC1
COc1ccc(OC)c(C(=O)N2CCC3(CC[C@H](CNC(=O)c4ccccc4F)O3)CC2)c1 O=C(NC[*:1])c1ccccc1F COc1ccc(OC)c(c1)C(=O)N1CCC2(CC[C@H](O2)[*:1])CC1
CC[C@@H]1c2ccccc2CCN1C(=O)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)O[*:1] CC[C@@H]1c2ccccc2CCN1C(=O)c1cccc(c1)[*:1]
CC[C@@H]1c2ccccc2CCN1C(=O)c1cccc(Oc2cnccn2)c1 c1cnc(cn1)[*:1] CC[C@@H]1c2ccccc2CCN1C(=O)c1cccc(c1)O[*:1]
Cc1ccc(C)c(OC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)O[*:1])C2=O
Cc1cc(C)n2nc(C(=O)N(C3CC3)[C@@H](C)C3CC3)nc2n1 C[C@@H](C1CC1)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N(C1CC1)[*:1]
Cc1cc(C)n2nc(C(=O)N(C3CC3)[C@@H](C)C3CC3)nc2n1 C1CC1[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N(C1CC1)[C@@H](C)[*:1]
Cc1cc(C)n2nc(C(=O)N(C3CC3)[C@@H](C)C3CC3)nc2n1 C1CC1[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N([C@@H](C)C1CC1)[*:1]
COc1ccc(C)cc1NC(=O)c1ccc(-c2nc3cccnc3n(C3CCCC3)c2=O)cc1 COc1ccc(C)cc1[*:1] O=C(N[*:1])c1ccc(cc1)-c1nc2cccnc2n(c1=O)C1CCCC1
COc1ccc(C)cc1NC(=O)c1ccc(-c2nc3cccnc3n(C3CCCC3)c2=O)cc1 C1CCC(C1)[*:1] COc1ccc(C)cc1NC(=O)c1ccc(cc1)-c1nc2cccnc2n(c1=O)[*:1]
O=C(Nc1ccccc1F)N(Cc1ccccc1)C[C@H]1CCCO1 Fc1ccccc1[*:1] O=C(N[*:1])N(Cc1ccccc1)C[C@H]1CCCO1
O=C(Nc1ccccc1F)N(Cc1ccccc1)C[C@H]1CCCO1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1F)N(C[C@H]1CCCO1)[*:1]
O=C(Nc1ccccc1F)N(Cc1ccccc1)C[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1F)N(C[C@H]1CCCO1)C[*:1]
CC[C@@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1c(C)nn(C)c1C c1ccc(cc1)[*:1] CC[C@@H]([NH2+][C@H](C[C@@H]1CCOC1)[*:1])c1c(C)nn(C)c1C
CC[C@@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)[*:1]
CC[C@@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1c(C)nn(C)c1C C1C[C@H](CO1)[*:1] CC[C@@H]([NH2+][C@H](C[*:1])c1ccccc1)c1c(C)nn(C)c1C
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2nc3c(s2)COCC3)c1 C[C@@H]1C[C@@H]1C(=O)N[*:1] O=C(Nc1nc2CCOCc2s1)c1cccc(c1)[*:1]
C[C@@H](c1ccccc1)[S@](=O)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](c1ccccc1)[S@](=O)[C@H](C)C(=O)NC[*:1]
C[C@@H](c1ccccc1)[S@](=O)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](c1ccccc1)[S@](=O)[C@H](C)C(=O)NC[C@H](C)[*:1]
C[C@@H](c1ccccc1)[S@](=O)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] C[C@@H](CNC(=O)[C@@H](C)[S@@](=O)[*:1])c1ccccc1
C[C@@H](c1ccccc1)[S@](=O)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([S@](=O)[C@H](C)C(=O)NC[C@H](C)c1ccccc1)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1C(C)C CCC[*:1] CC(C)c1ccccc1NC(=O)[C@@H]1CSCN1C(=O)C[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1C(C)C CC(C)[*:1] CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1C(C)C CCCC[*:1] CC(C)c1ccccc1NC(=O)[C@@H]1CSCN1C(=O)[*:1]
Cc1ccc(-n2c(SCC(=O)N(C)Cc3ccco3)nnc2-c2ccccc2F)cc1 Cc1ccc(cc1)[*:1] CN(Cc1ccco1)C(=O)CSc1nnc(-c2ccccc2F)n1[*:1]
Cc1ccc(-n2c(SCC(=O)N(C)Cc3ccco3)nnc2-c2ccccc2F)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccc1F)SCC(=O)N(C)[*:1]
Cc1ccc(-n2c(SCC(=O)N(C)Cc3ccco3)nnc2-c2ccccc2F)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccc1F)SCC(=O)N(C)C[*:1]
Cc1ccc(-n2c(SCC(=O)N(C)Cc3ccco3)nnc2-c2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)N(C)Cc1ccco1
Cc1ccc(-n2c(SCC(=O)N(C)Cc3ccco3)nnc2-c2ccccc2F)cc1 CN(Cc1ccco1)C(=O)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccc1F)SC[*:1]
C[C@H]1CN(S(=O)(=O)CCCF)C(C)(C)CO1 FCC[*:1] C[C@H]1CN(C(C)(C)CO1)S(=O)(=O)C[*:1]
C[C@H]1CN(S(=O)(=O)CCCF)C(C)(C)CO1 FCCC[*:1] C[C@H]1CN(C(C)(C)CO1)S(=O)(=O)[*:1]
CCSc1ccc(NC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)cn1 FC(F)(F)[*:1] CCSc1ccc(cn1)NC(=O)N1CCC[C@H]1[C@@H](O)[*:1]
CCSc1ccc(NC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)cn1 CCS[*:1] O=C(Nc1ccc(nc1)[*:1])N1CCC[C@H]1[C@@H](O)C(F)(F)F
CCOc1ccccc1CNC(=O)c1[nH]nc(OC)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccccc1CNC(=O)c1[nH]nc(OC)c1[*:1]
CCOc1ccccc1CNC(=O)c1[nH]nc(OC)c1[N+](=O)[O-] CCO[*:1] COc1n[nH]c(C(=O)NCc2ccccc2[*:1])c1[N+](=O)[O-]
Cc1c(Cl)ccc2c(OCC(=O)[O-])ccnc12 O=C([O-])[*:1] Cc1c(Cl)ccc2c(ccnc12)OC[*:1]
Cc1c(Cl)ccc2c(OCC(=O)[O-])ccnc12 O=C([O-])CO[*:1] Cc1c(Cl)ccc2c(ccnc12)[*:1]
Cc1c(Cl)ccc2c(OCC(=O)[O-])ccnc12 O=C([O-])C[*:1] Cc1c(Cl)ccc2c(ccnc12)O[*:1]
CCn1c(SCC(=O)N/N=C/c2ccncc2)nc2ccccc21 c1cc(ccn1)[*:1] CCn1c(nc2ccccc21)SCC(=O)NN=C[*:1]
Cc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nn1 Cc1ccc(nn1)[*:1] O=C(Nc1ccc2OCOc2c1)N1CCN(CC1)[*:1]
c1nc(N2CCC[C@H](Cn3cncn3)C2)c2cc[nH]c2n1 c1ncn(C[*:1])n1 c1nc(c2cc[nH]c2n1)N1CCC[C@H](C1)[*:1]
c1nc(N2CCC[C@H](Cn3cncn3)C2)c2cc[nH]c2n1 c1ncn(n1)[*:1] c1nc(c2cc[nH]c2n1)N1CCC[C@@H](C1)C[*:1]
CCc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])sc1C O=C([O-])[*:1] CCc1cc(sc1C)C(=O)NC[C@@H](CC(C)C)[*:1]
CCc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])sc1C CC(C)C[*:1] CCc1cc(sc1C)C(=O)NC[C@@H](C(=O)[O-])[*:1]
CCc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])sc1C CC(C)[*:1] CCc1cc(sc1C)C(=O)NC[C@@H](C[*:1])C(=O)[O-]
CCC1(CC)CCN(C(=O)N[C@H](CO)C(=O)[O-])C1 O=C([O-])[*:1] CCC1(CC)CCN(C1)C(=O)N[C@H](CO)[*:1]
CC(=O)Nc1cccc(C(=O)NCCC(C)C)c1 CC(=O)N[*:1] CC(C)CCNC(=O)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)NCCC(C)C)c1 CC(C)CC[*:1] CC(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(=O)Nc1cccc(C(=O)NCCC(C)C)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)C(=O)NCC[*:1]
CC(=O)Nc1cccc(C(=O)NCCC(C)C)c1 CC(C)C[*:1] CC(=O)Nc1cccc(c1)C(=O)NC[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N[C@H](C)c1cccc2ccccc12 O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)[C@H](C)N[C@H](C)c1cccc2ccccc12)[*:1]
CCNC(=O)n1cc(-c2ccncn2)c(-c2ccncc2)n1 c1cc(ccn1)[*:1] CCNC(=O)n1cc(-c2ccncn2)c(n1)[*:1]
CCNC(=O)n1cc(-c2ccncn2)c(-c2ccncc2)n1 c1cc(ncn1)[*:1] CCNC(=O)n1cc(c(n1)-c1ccncc1)[*:1]
Cc1ccc(C)c(NCC(=O)Nc2ccccc2C(N)=O)c1 NC(=O)[*:1] Cc1ccc(C)c(c1)NCC(=O)Nc1ccccc1[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)c1 CC(=O)N[*:1] O=C(NCc1ccc(Cl)cc1Cl)C(=O)Nc1cc(ccc1F)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)c1 Clc1ccc(c(Cl)c1)[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)C(=O)NC[*:1]
Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccccc1 Cc1ccccc1[*:1] O=C(NC1CCCCC1)[C@H](N(C(=O)c1ccccn1)c1ccccc1)[*:1]
Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccccc1 O=C(NC1CCCCC1)[*:1] Cc1ccccc1[C@H](N(C(=O)c1ccccn1)c1ccccc1)[*:1]
Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccccc1 c1ccc(nc1)[*:1] Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)[*:1])c1ccccc1
Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccccc1 C1CCC(CC1)[*:1] Cc1ccccc1[C@H](C(=O)N[*:1])N(C(=O)c1ccccn1)c1ccccc1
Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)[*:1]
Cc1nc2sccn2c1C(=O)N1CCc2c(ncnc2N2CCOCC2)C1 C1CN(CCO1)[*:1] Cc1nc2sccn2c1C(=O)N1CCc2c(C1)ncnc2[*:1]
Cc1nc2sccn2c1C(=O)N1CCc2c(ncnc2N2CCOCC2)C1 Cc1nc2sccn2c1[*:1] O=C(N1CCc2c(C1)ncnc2N1CCOCC1)[*:1]
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1[*:1])OC(=O)c1ccco1
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)c(OC)c1 c1coc(c1)[*:1] COc1ccc(c(c1)OC)[C@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)[*:1]
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)c(OC)c1 O=C(O[*:1])c1ccco1 COc1ccc(c(c1)OC)[C@H]1C(C#N)=C(N)Oc2cc(ccc21)[*:1]
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)/C(O)=N/C[C@H]2CCCO2)C(=O)[C@@]31C C1CO[C@H](C1)[*:1] COc1ccc2[nH]c3c(CCN4C(=O)N(C(=O)[C@@]34C)[C@@H](C)/C(O)=N/C[*:1])c2c1
O=C(NC[C@@H](O)CO)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 O=[N+]([O-])[*:1] O=C(NC[C@@H](O)CO)C1CCN(CC1)c1ccc(cn1)[*:1]
O=C(NC[C@@H](O)CO)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 OC[C@H](O)C[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]
Cc1sc2ncc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(=O)n2c1C c1ccc(cc1)C[*:1] Cc1sc2ncc(C(=O)N(Cc3ccccc3)[*:1])c(=O)n2c1C
Cc1sc2ncc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(=O)n2c1C c1ccc(cc1)[*:1] Cc1sc2ncc(C(=O)N(Cc3ccccc3)C[*:1])c(=O)n2c1C
CC[NH2+]C/C(=C\c1ccc([C@@H]2C[C@H]2C)o1)CC C[C@@H]1C[C@H]1[*:1] CC[NH2+]C/C(=C\c1ccc(o1)[*:1])CC
CCOc1cccc(-c2ccc(C)c(N)c2)c1 CCO[*:1] Cc1ccc(cc1N)-c1cccc(c1)[*:1]
Cc1cc(C(=O)[O-])ccc1NC(=O)C[NH2+]CC(F)(F)F FC(F)(F)[*:1] Cc1cc(ccc1NC(=O)C[NH2+]C[*:1])C(=O)[O-]
Cc1cc(C(=O)[O-])ccc1NC(=O)C[NH2+]CC(F)(F)F O=C([O-])[*:1] Cc1cc(ccc1NC(=O)C[NH2+]CC(F)(F)F)[*:1]
Cc1cc(C(=O)[O-])ccc1NC(=O)C[NH2+]CC(F)(F)F FC(F)(F)C[*:1] Cc1cc(ccc1NC(=O)C[NH2+][*:1])C(=O)[O-]
O=C(C[NH2+]C1CCCCC1)Nc1ccc(Br)cc1 C1CCC(CC1)[*:1] O=C(C[NH2+][*:1])Nc1ccc(Br)cc1
CCC[C@@H](O)c1ccn(CCc2ccncc2)c1 CCC[C@@H](O)[*:1] c1cc(ccn1)CCn1ccc(c1)[*:1]
CCC[C@@H](O)c1ccn(CCc2ccncc2)c1 CCC[*:1] O[C@@H](c1ccn(c1)CCc1ccncc1)[*:1]
CCC[C@@H](O)c1ccn(CCc2ccncc2)c1 c1cc(ccn1)[*:1] CCC[C@@H](O)c1ccn(c1)CC[*:1]
CCCCCSc1nnc2c(n1)O[C@H](CC)N(C(C)=O)c1ccccc1-2 CCCCC[*:1] CC[C@H]1Oc2nc(nnc2-c2ccccc2N1C(C)=O)S[*:1]
CCCCCSc1nnc2c(n1)O[C@H](CC)N(C(C)=O)c1ccccc1-2 CCCCCS[*:1] CC[C@H]1Oc2nc(nnc2-c2ccccc2N1C(C)=O)[*:1]
CCCCCSc1nnc2c(n1)O[C@H](CC)N(C(C)=O)c1ccccc1-2 CCC[*:1] CC[C@H]1Oc2nc(nnc2-c2ccccc2N1C(C)=O)SCC[*:1]
CCCCCSc1nnc2c(n1)O[C@H](CC)N(C(C)=O)c1ccccc1-2 CCCC[*:1] CC[C@H]1Oc2nc(nnc2-c2ccccc2N1C(C)=O)SC[*:1]
COc1cccc(NC(=O)NCC2(c3cccs3)CCCC2)c1OC c1csc(c1)[*:1] COc1cccc(NC(=O)NCC2(CCCC2)[*:1])c1OC
C#Cc1cccc(NC(=O)NCc2cccnc2OCC(F)(F)F)c1 FC(F)(F)CO[*:1] C#Cc1cccc(c1)NC(=O)NCc1cccnc1[*:1]
C#Cc1cccc(NC(=O)NCc2cccnc2OCC(F)(F)F)c1 FC(F)(F)[*:1] C#Cc1cccc(c1)NC(=O)NCc1cccnc1OC[*:1]
C#Cc1cccc(NC(=O)NCc2cccnc2OCC(F)(F)F)c1 FC(F)(F)C[*:1] C#Cc1cccc(c1)NC(=O)NCc1cccnc1O[*:1]
C#Cc1cccc(NC(=O)NCc2cccnc2OCC(F)(F)F)c1 C#Cc1cccc(c1)[*:1] O=C(NCc1cccnc1OCC(F)(F)F)N[*:1]
Cc1cc(NCCn2c(C)nc3ccccc32)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])NCCn1c(C)nc2ccccc21
Cc1cccc(O[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N(Cc1ccccc1)[*:1]
Cc1cccc(O[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)O[*:1]
Cc1cccc(O[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N(C[*:1])C(C)C
Cc1cccc(O[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N(C(C)C)[*:1]
Cc1csc(NC(=O)CN2CCN(c3ccccc3)C2=O)n1 Cc1csc(n1)[*:1] O=C(CN1CCN(C1=O)c1ccccc1)N[*:1]
Cc1csc(NC(=O)CN2CCN(c3ccccc3)C2=O)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)CN1CCN(C1=O)[*:1]
CC(C)NC(=O)CN(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)[*:1] CN(CC(=O)N[*:1])C(=O)c1cccc(c1)C(=O)OC(C)(C)C
CC(C)NC(=O)CN(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)NC(=O)C[*:1] CN(C(=O)c1cccc(c1)C(=O)OC(C)(C)C)[*:1]
CC(C)NC(=O)CN(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)OC(=O)[*:1] CC(C)NC(=O)CN(C)C(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)CN(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] CC(C)NC(=O)CN(C)C(=O)c1cccc(c1)C(=O)O[*:1]
CC(C)NC(=O)CN(C)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)NC(=O)[*:1] CN(C[*:1])C(=O)c1cccc(c1)C(=O)OC(C)(C)C
CC(=O)Nc1ccc(-c2csc(NC(C)=O)n2)cc1 CC(=O)N[*:1] CC(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(C)=O)n2)cc1 CC(=O)N[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)[*:1]
C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1 c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1Cc2cc(ccc2O1)O[*:1]
C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1 c1ccc(cc1)O[*:1] C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1Cc2cc(ccc2O1)[*:1]
C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NC[C@@H]1Cc2cc(ccc2O1)Oc1ccccc1
C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1 c1ccc(cc1)O[*:1] C[C@H](C(=O)NC[C@@H]1Cc2cc(ccc2O1)Oc1ccccc1)[*:1]
C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1 C[C@H](Oc1ccccc1)[*:1] O=C(NC[C@@H]1Cc2cc(ccc2O1)Oc1ccccc1)[*:1]
COc1ccc(CNc2ccccc2N2CCCC2)c(OC(F)F)c1 FC(F)[*:1] COc1ccc(CNc2ccccc2N2CCCC2)c(c1)O[*:1]
COc1ccc(CNc2ccccc2N2CCCC2)c(OC(F)F)c1 FC(F)O[*:1] COc1ccc(CNc2ccccc2N2CCCC2)c(c1)[*:1]
COc1ccc(CNc2ccccc2N2CCCC2)c(OC(F)F)c1 C1CCN(C1)[*:1] COc1ccc(CNc2ccccc2[*:1])c(c1)OC(F)F
NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 c1ccc(cc1)C[*:1] NC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21)[*:1]
NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 NC(=O)[*:1] O=C1[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H]([C@@H]2C(=O)N1Cc1ccccc1)[*:1]
NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 c1ccc(cc1)[*:1] NC(=O)[C@@H]1[C@@H]2C(=O)N(C[*:1])C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21
CCOc1ccc(CNc2ncc(-c3ccc(OC)cc3)n2C)cc1 CCO[*:1] COc1ccc(cc1)-c1cnc(NCc2ccc(cc2)[*:1])n1C
CCOc1ccc(CNc2ncc(-c3ccc(OC)cc3)n2C)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)CNc1ncc(n1C)[*:1]
COc1ccc(/C=C2/SC(=S)N=C2[O-])cc1COc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(/C=C2/SC(=S)N=C2[O-])cc1COc1cccc(c1)[*:1]
Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@@H](c1ccccc1)c1ccncc1
Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N[C@@H](c1ccncc1)[*:1]
Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1[N+](=O)[O-] c1cc(ccn1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N[C@@H](c1ccccc1)[*:1]
CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl CC[C@@H](C)NC(=O)[*:1] O=S(=O)(c1ccc(Cl)c(c1)[*:1])N1CCCC1
CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl CC[C@@H](C)[*:1] O=C(N[*:1])c1cc(ccc1Cl)S(=O)(=O)N1CCCC1
c1csc(-c2n[nH]c(CSc3ccncc3)n2)c1 c1csc(c1)[*:1] c1cc(ccn1)SCc1nc(n[nH]1)[*:1]
c1csc(-c2n[nH]c(CSc3ccncc3)n2)c1 c1cc(ccn1)[*:1] c1csc(c1)-c1n[nH]c(CS[*:1])n1
O=C(NNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccccn1 c1ccc(nc1)[*:1] O=C(NNC(=O)[*:1])C1CCN(CC1)c1ccc2nncn2n1
O=C(NNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccccn1 c1cc2nncn2nc1[*:1] O=C(NNC(=O)C1CCN(CC1)[*:1])c1ccccn1
CCc1cccc(C)c1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 CCc1cccc(C)c1[*:1] CS(=O)(=O)N1CC[C@H](Oc2ccc(Cl)cc21)C(=O)N[*:1]
CC(=O)Nc1ccc(S(=O)(=O)/N=C(\[O-])c2cc3cc(Cl)ccc3o2)cc1 CC(=O)N[*:1] O=S(=O)(/N=C(\[O-])c1cc2cc(Cl)ccc2o1)c1ccc(cc1)[*:1]
C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(Br)ccc1OC C=CC[*:1] COc1ccc(Br)cc1[C@H]1C(C(=O)O[*:1])=C(C)Nc2ncnn21
C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(Br)ccc1OC C=CCOC(=O)[*:1] COc1ccc(Br)cc1[C@H]1C(=C(C)Nc2ncnn21)[*:1]
C#CCOc1c(Cl)cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC C#CC[*:1] COc1ccc(cc1)C1=N/C(=C/c2cc(Cl)c(O[*:1])c(c2)OC)C(=O)O1
C#CCOc1c(Cl)cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC COc1ccc(cc1)[*:1] C#CCOc1c(Cl)cc(/C=C2/N=C(OC2=O)[*:1])cc1OC
C#CCOc1c(Cl)cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC C#CCO[*:1] COc1ccc(cc1)C1=N/C(=C/c2cc(Cl)c(c(c2)OC)[*:1])C(=O)O1
CCCOc1cccc(NC(=O)C(=O)N[C@H]2CCCn3nc(CC)nc32)c1 CCC[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)C(=O)Nc1cccc(c1)O[*:1]
CCCOc1cccc(NC(=O)C(=O)N[C@H]2CCCn3nc(CC)nc32)c1 CCCO[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
O=[N+]([O-])c1ccccc1[C@@H]1c2cccn2CCCN1Cc1ccc(Cl)cc1 O=[N+]([O-])c1ccccc1[*:1] Clc1ccc(cc1)CN1CCCn2cccc2[C@H]1[*:1]
O=[N+]([O-])c1ccccc1[C@@H]1c2cccn2CCCN1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1[C@@H]1c2cccn2CCCN1C[*:1]
O=[N+]([O-])c1ccccc1[C@@H]1c2cccn2CCCN1Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=[N+]([O-])c1ccccc1[C@@H]1c2cccn2CCCN1[*:1]
O=[N+]([O-])c1ccccc1[C@@H]1c2cccn2CCCN1Cc1ccc(Cl)cc1 O=[N+]([O-])[*:1] Clc1ccc(cc1)CN1CCCn2cccc2[C@H]1c1ccccc1[*:1]
O=C(CNC(=O)C1CCCCC1)OCC(=O)c1ccc2c(c1)CCC2 C1CCC(CC1)[*:1] O=C(CNC(=O)[*:1])OCC(=O)c1ccc2CCCc2c1
N#C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(Cl)c(Cl)c1 O=C1CC[C@@H](N1)[*:1] N#C[C@@H](NC(=O)[*:1])c1ccc(Cl)c(Cl)c1
CC1(C)CCC[C@H]1NC(=O)Nc1cccc(OCCn2cccn2)c1 c1cnn(c1)CC[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1cccc(c1)O[*:1]
CC1(C)CCC[C@H]1NC(=O)Nc1cccc(OCCn2cccn2)c1 c1cnn(c1)[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1cccc(c1)OCC[*:1]
CC1(C)CCC[C@H]1NC(=O)Nc1cccc(OCCn2cccn2)c1 c1cnn(c1)CCO[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1cccc(c1)[*:1]
CC1(C)CCC[C@H]1NC(=O)Nc1cccc(OCCn2cccn2)c1 c1cnn(c1)C[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1cccc(c1)OC[*:1]
C[C@@H](NC(=O)COCc1ccccc1Cl)c1cccc(N2CCOC2=O)c1 Clc1ccccc1[*:1] C[C@@H](NC(=O)COC[*:1])c1cccc(c1)N1CCOC1=O
C[C@@H](NC(=O)COCc1ccccc1Cl)c1cccc(N2CCOC2=O)c1 Clc1ccccc1CO[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(c1)N1CCOC1=O
C[C@@H](NC(=O)COCc1ccccc1Cl)c1cccc(N2CCOC2=O)c1 Clc1ccccc1C[*:1] C[C@@H](NC(=O)CO[*:1])c1cccc(c1)N1CCOC1=O
C[C@@H](NC(=O)COCc1ccccc1Cl)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C[C@@H](NC(=O)COCc1ccccc1Cl)c1cccc(c1)[*:1]
Cc1n[nH]cc1CNC1(c2ccc(F)cc2F)CCOCC1 Cc1n[nH]cc1[*:1] Fc1ccc(c(F)c1)C1(CCOCC1)NC[*:1]
Cn1cc(C(=O)NC2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cn1 Cn1cc(cn1)[*:1] O=C(NC1CCN(CC1)c1ccc2cc(ccc2n1)[N+](=O)[O-])[*:1]
Cn1cc(C(=O)NC2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cn1 Cn1cc(cn1)C(=O)N[*:1] O=[N+]([O-])c1ccc2nc(ccc2c1)N1CCC(CC1)[*:1]
Cn1cc(C(=O)NC2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)C(=O)NC1CCN(CC1)c1ccc2cc(ccc2n1)[*:1]
CCCN1C(=O)[C@H](N)c2cc(Br)ccc21 CCC[*:1] N[C@H]1C(=O)N(c2ccc(Br)cc21)[*:1]
C1=C(CN2CCN(c3cccs3)CC2)COc2ccccc21 c1csc(c1)[*:1] C1=C(COc2ccccc21)CN1CCN(CC1)[*:1]
CN(C(=O)N[C@@H]1CCOC1)c1ccc(/C(N)=N/O)cc1 N/C(=N\O)[*:1] CN(C(=O)N[C@@H]1CCOC1)c1ccc(cc1)[*:1]
CN(C(=O)N[C@@H]1CCOC1)c1ccc(/C(N)=N/O)cc1 C1C[C@H](CO1)[*:1] CN(C(=O)N[*:1])c1ccc(cc1)/C(N)=N/O
CCc1onc(C)c1NC(=O)N1CCN([C@H](C)CC(=O)OC)CC1 COC(=O)C[C@@H](C)[*:1] CCc1onc(C)c1NC(=O)N1CCN(CC1)[*:1]
CCc1onc(C)c1NC(=O)N1CCN([C@H](C)CC(=O)OC)CC1 COC(=O)[*:1] CCc1onc(C)c1NC(=O)N1CCN(CC1)[C@H](C)C[*:1]
CCc1onc(C)c1NC(=O)N1CCN([C@H](C)CC(=O)OC)CC1 CCc1onc(C)c1[*:1] COC(=O)C[C@@H](C)N1CCN(CC1)C(=O)N[*:1]
CCc1onc(C)c1NC(=O)N1CCN([C@H](C)CC(=O)OC)CC1 COC(=O)C[*:1] CCc1onc(C)c1NC(=O)N1CCN(CC1)[C@H](C)[*:1]
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 NC(=O)N[*:1] CC[C@@H](C)[C@@H](C(=O)N[C@@H](C)c1cccc(c1)-n1cccn1)[*:1]
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 CC[C@@H](C)[*:1] C[C@H](NC(=O)[C@H](NC(N)=O)[*:1])c1cccc(c1)-n1cccn1
O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NCc2cccs2)c1 O=C(NCc1cccs1)[*:1] O=C(C[C@H]1SC(=NC1=O)N1CCCCC1)Nc1cccc(c1)[*:1]
O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NCc2cccs2)c1 c1csc(c1)[*:1] O=C(C[C@H]1SC(=NC1=O)N1CCCCC1)Nc1cccc(c1)C(=O)NC[*:1]
O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NCc2cccs2)c1 c1csc(c1)C[*:1] O=C(C[C@H]1SC(=NC1=O)N1CCCCC1)Nc1cccc(c1)C(=O)N[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1])[N+](=O)[O-]
CNC(=O)CN1C(=O)COc2ccc(Cl)cc21 CNC(=O)C[*:1] O=C1COc2ccc(Cl)cc2N1[*:1]
CNC(=O)CN1C(=O)COc2ccc(Cl)cc21 CNC(=O)[*:1] O=C1COc2ccc(Cl)cc2N1C[*:1]
Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCc1ccc(F)cc1 Fc1ccc(cc1)CC[*:1] Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1[*:1]
Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1C[*:1]
Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CC[*:1]
Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCc1ccc(F)cc1 c1ccc(cc1)[*:1] Nc1c(C(=O)N[*:1])c2nc3ccccc3nc2n1CCc1ccc(F)cc1
Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCc1ccc(F)cc1 O=C(Nc1ccccc1)[*:1] Nc1c(c2nc3ccccc3nc2n1CCc1ccc(F)cc1)[*:1]
c1cc(CCSc2nnnn2C2CCCCC2)ccn1 C1CCC(CC1)[*:1] c1cc(ccn1)CCSc1nnnn1[*:1]
c1cc(CCSc2nnnn2C2CCCCC2)ccn1 c1cc(ccn1)[*:1] C1CCC(CC1)n1nnnc1SCC[*:1]
CC1CCC(CNC(=O)c2ccncc2C#CCO)CC1 CC1CCC(CC1)[*:1] O=C(NC[*:1])c1ccncc1C#CCO
CC1CCC(CNC(=O)c2ccncc2C#CCO)CC1 OCC#C[*:1] CC1CCC(CC1)CNC(=O)c1ccncc1[*:1]
CC(=O)OCC[C@@H]1S/C(=N/N=C/c2c3ccccc3cc3ccccc23)NC1=O CC(=O)O[*:1] O=C1N/C(=N\N=C\c2c3ccccc3cc3ccccc23)S[C@H]1CC[*:1]
CC(=O)OCC[C@@H]1S/C(=N/N=C/c2c3ccccc3cc3ccccc23)NC1=O CC(=O)OCC[*:1] O=C1N/C(=N\N=C\c2c3ccccc3cc3ccccc23)S[C@H]1[*:1]
CC(=O)OCC[C@@H]1S/C(=N/N=C/c2c3ccccc3cc3ccccc23)NC1=O CC(=O)OC[*:1] O=C1N/C(=N\N=C\c2c3ccccc3cc3ccccc23)S[C@H]1C[*:1]
Cc1c(N)cccc1SCCCC(=O)N(C)C CN(C)C(=O)[*:1] Cc1c(N)cccc1SCCC[*:1]
Cc1cc(C)cc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)OCC(=O)N/N=C/c1cc2OCOc2cc1[*:1]
Cc1cc(C)cc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 Cc1cc(C)cc(c1)O[*:1] O=C(C[*:1])N/N=C/c1cc2OCOc2cc1[N+](=O)[O-]
Cc1cc(C)cc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 Cc1cc(C)cc(c1)[*:1] O=C(CO[*:1])N/N=C/c1cc2OCOc2cc1[N+](=O)[O-]
Cc1n[nH]c(C)c1N1CCN(Cc2ccccc2Br)CC1 Cc1n[nH]c(C)c1[*:1] Brc1ccccc1CN1CCN(CC1)[*:1]
Cc1n[nH]c(C)c1N1CCN(Cc2ccccc2Br)CC1 Brc1ccccc1[*:1] Cc1n[nH]c(C)c1N1CCN(CC1)C[*:1]
CC/[NH+]=C(/NC[C@@H](C)CN1CCOCC1)N1CCCC1 C1CN(CCO1)[*:1] CC/[NH+]=C(/NC[C@@H](C)C[*:1])N1CCCC1
O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1N=C(C[C@H]1[*:1])c1ccco1
O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 C1CC1[*:1] O=C(CSc1nnc(-c2cccnc2)n1[*:1])N1N=C(C[C@@H]1c1cccs1)c1ccco1
O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 c1coc(c1)[*:1] O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1N=C(C[C@@H]1c1cccs1)[*:1]
O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 c1cncc(c1)[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])N1N=C(C[C@@H]1c1cccs1)c1ccco1
C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)C1(C)CC1 CC1(CC1)[*:1] C[C@@H]([NH2+]C[C@H]1CC[C@@H](O1)C(N)=O)[*:1]
C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)C1(C)CC1 NC(=O)[*:1] C[C@@H]([NH2+]C[C@H]1CC[C@H](O1)[*:1])C1(C)CC1
COCc1cc(C(=O)Oc2ccc3c(c2)OCO3)ccc1F COC[*:1] O=C(Oc1ccc2OCOc2c1)c1ccc(F)c(c1)[*:1]
COC(=O)Cc1ccc(Oc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 COC(=O)C[*:1] C[C@H]1CCc2c(C1)sc1ncnc(Oc3ccc(cc3)[*:1])c21
COC(=O)Cc1ccc(Oc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 COC(=O)[*:1] C[C@H]1CCc2c(C1)sc1ncnc(Oc3ccc(cc3)C[*:1])c21
COCCN1C(=O)N=C(N)[C@@H]1CC(=O)N(C)C COC[*:1] CN(C)C(=O)C[C@H]1C(N)=NC(=O)N1C[*:1]
COCCN1C(=O)N=C(N)[C@@H]1CC(=O)N(C)C COCC[*:1] CN(C)C(=O)C[C@H]1C(N)=NC(=O)N1[*:1]
COCCN1C(=O)N=C(N)[C@@H]1CC(=O)N(C)C CN(C)C(=O)[*:1] COCCN1C(=O)N=C(N)[C@@H]1C[*:1]
Cc1ccc(C)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1C FC(F)(F)[*:1] Cc1ccc(C)c(OCC(=O)Nc2cccc(c2)[*:1])c1C
C[NH+]1CCN(CCCNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1 O=C(c1ccc(Br)cc1)[*:1] C[NH+]1CCN(CCCNC(=O)c2ccccc2[*:1])CC1
C[NH+]1CCN(CCCNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] C[NH+]1CCN(CCCNC(=O)c2ccccc2C(=O)[*:1])CC1
CCCCSc1snc(O)c1C#N CCC[*:1] N#Cc1c(O)nsc1SC[*:1]
CCCCSc1snc(O)c1C#N CCCC[*:1] N#Cc1c(O)nsc1S[*:1]
NC(=O)C1CCN(C(=O)C2CC[NH+](CC(=O)N3CCCCC3)CC2)CC1 NC(=O)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)N1CCC(CC1)[*:1])N1CCCCC1
NC(=O)C1CCN(C(=O)C2CC[NH+](CC(=O)N3CCCCC3)CC2)CC1 O=C(N1CCCCC1)[*:1] NC(=O)C1CCN(CC1)C(=O)C1CC[NH+](CC1)C[*:1]
Cc1c(C[NH2+]Cc2cccc(F)c2)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl O=C([O-])[*:1] Cc1c(C[NH2+]Cc2cccc(F)c2)c(c(C)n1Cc1c(F)cccc1Cl)[*:1]
Cc1c(C[NH2+]Cc2cccc(F)c2)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl Fc1cccc(c1)C[*:1] Cc1c(C[NH2+][*:1])c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl
Cc1c(C[NH2+]Cc2cccc(F)c2)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl Fc1cccc(Cl)c1C[*:1] Cc1c(C[NH2+]Cc2cccc(F)c2)c(C(=O)[O-])c(C)n1[*:1]
Cc1c(C[NH2+]Cc2cccc(F)c2)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl Fc1cccc(c1)[*:1] Cc1c(C[NH2+]C[*:1])c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl
Cc1c(C[NH2+]Cc2cccc(F)c2)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] Cc1c(C[NH2+]Cc2cccc(F)c2)c(C(=O)[O-])c(C)n1C[*:1]
CCS(=O)(=O)c1ccccc1C(=O)NCCN1CCN(c2nc3ccc(F)cc3s2)CC1 CCS(=O)(=O)[*:1] O=C(NCCN1CCN(CC1)c1nc2ccc(F)cc2s1)c1ccccc1[*:1]
CCS(=O)(=O)c1ccccc1C(=O)NCCN1CCN(c2nc3ccc(F)cc3s2)CC1 Fc1ccc2nc(sc2c1)[*:1] CCS(=O)(=O)c1ccccc1C(=O)NCCN1CCN(CC1)[*:1]
CCCSCC(=O)N1CCC2(CC1)CN(C[C@H](C)c1ccccc1)C(=O)O2 c1ccc(cc1)[*:1] CCCSCC(=O)N1CCC2(CC1)CN(C[C@H](C)[*:1])C(=O)O2
CCCSCC(=O)N1CCC2(CC1)CN(C[C@H](C)c1ccccc1)C(=O)O2 C[C@@H](C[*:1])c1ccccc1 CCCSCC(=O)N1CCC2(CC1)CN(C(=O)O2)[*:1]
CCCSCC(=O)N1CCC2(CC1)CN(C[C@H](C)c1ccccc1)C(=O)O2 C[C@H](c1ccccc1)[*:1] CCCSCC(=O)N1CCC2(CC1)CN(C[*:1])C(=O)O2
CCCSCC(=O)N1CCC2(CC1)CN(C[C@H](C)c1ccccc1)C(=O)O2 CCC[*:1] C[C@@H](CN1CC2(CCN(CC2)C(=O)CS[*:1])OC1=O)c1ccccc1
CCCSCC(=O)N1CCC2(CC1)CN(C[C@H](C)c1ccccc1)C(=O)O2 CCCSC[*:1] C[C@@H](CN1CC2(CCN(CC2)C(=O)[*:1])OC1=O)c1ccccc1
CCCSCC(=O)N1CCC2(CC1)CN(C[C@H](C)c1ccccc1)C(=O)O2 CCCS[*:1] C[C@@H](CN1CC2(CCN(CC2)C(=O)C[*:1])OC1=O)c1ccccc1
C[C@H](c1ccsc1)N1CCC(=O)CC1=O c1cc(cs1)[*:1] C[C@H](N1CCC(=O)CC1=O)[*:1]
CN(C(=O)COc1cc(F)ccc1F)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)COc1cc(F)ccc1F)[C@@H]1CCC[C@H]1[*:1]
O=C(NCCC1[NH+]=c2ccccc2=[NH+]1)[C@H]1C[C@H](C2CC2)N([C@@H]2CCS(=O)(=O)C2)N1 O=S1(=O)CC[C@H](C1)[*:1] O=C(NCCC1[NH+]=c2ccccc2=[NH+]1)[C@H]1C[C@H](C2CC2)N(N1)[*:1]
O=C(NCCC1[NH+]=c2ccccc2=[NH+]1)[C@H]1C[C@H](C2CC2)N([C@@H]2CCS(=O)(=O)C2)N1 C1CC1[*:1] O=C(NCCC1[NH+]=c2ccccc2=[NH+]1)[C@H]1C[C@H](N(N1)[C@@H]1CCS(=O)(=O)C1)[*:1]
C[NH+](C)Cc1ccccc1NC(=O)c1nnn[n-]1 C[NH+](C)C[*:1] O=C(Nc1ccccc1[*:1])c1nnn[n-]1
CC(C)(C)Oc1cc(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccn1 FC(F)(F)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CC(C)(C)Oc1cc(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])N[C@H]1CCC[C@H](C1)C(F)(F)F
CC(C)(C)Oc1cc(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])N[C@H]1CCC[C@H](C1)C(F)(F)F
COc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1 COc1ccccc1[*:1] O=C(CSc1nnc(o1)[*:1])Nc1nc(cs1)-c1ccc(F)cc1
COc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1 Fc1ccc(cc1)[*:1] COc1ccccc1-c1nnc(o1)SCC(=O)Nc1nc(cs1)[*:1]
Cc1ncc([C@@H](C)N[C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)n1 Cc1ncc(c(C)n1)[*:1] C[C@@H](N[C@@H]1CCN(C1=O)c1ccccc1Cl)[*:1]
Cc1ncc([C@@H](C)N[C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)n1 Clc1ccccc1[*:1] Cc1ncc(c(C)n1)[C@@H](C)N[C@@H]1CCN(C1=O)[*:1]
O=S(=O)(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 FC(F)(F)[*:1] O=S(=O)(NC[C@H](O)c1ccc(cc1)[*:1])c1cccc(Cl)c1
O=S(=O)(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=S(=O)(NC[C@H](O)c1ccc(cc1)C(F)(F)F)[*:1]
CCN(Cc1ccccc1)[C@]1(C[NH3+])CC(C)(C)OC1(C)C c1ccc(cc1)[*:1] CCN(C[*:1])[C@]1(C[NH3+])CC(C)(C)OC1(C)C
CCN(Cc1ccccc1)[C@]1(C[NH3+])CC(C)(C)OC1(C)C c1ccc(cc1)C[*:1] CCN([C@]1(C[NH3+])CC(C)(C)OC1(C)C)[*:1]
CC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O c1ccc(cc1)[*:1] CC(=O)Cn1cnc2c(cnn2[*:1])c1=O
CC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O CC(=O)[*:1] O=c1c2cnn(-c3ccccc3)c2ncn1C[*:1]
CC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O CC(=O)C[*:1] O=c1c2cnn(-c3ccccc3)c2ncn1[*:1]
O=C([O-])c1cccc(CS(=O)(=O)Nc2ncccn2)c1 O=C([O-])[*:1] O=S(=O)(Cc1cccc(c1)[*:1])Nc1ncccn1
O=C([O-])c1cccc(CS(=O)(=O)Nc2ncccn2)c1 c1cnc(nc1)[*:1] O=C([O-])c1cccc(c1)CS(=O)(=O)N[*:1]
N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@H]([N+]2=CCCC2)C1 NS(=O)(=O)[*:1] N#Cc1cc(ccc1N1CC[C@H](C1)[N+]1=CCCC1)[*:1]
O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 Fc1ccc(cc1)[*:1] O=C(NN=C[*:1])C(=O)Nc1ccccc1C(=O)NC1CCCCC1
O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccccc1[*:1]
O=C(CCc1cccc(Br)c1)NC[C@@H](O)c1ccco1 c1coc(c1)[*:1] O=C(CCc1cccc(Br)c1)NC[C@@H](O)[*:1]
O=C(c1ccc(OCC(F)F)nc1)N1CCC[C@@H]1Cc1ccccc1 FC(F)C[*:1] O=C(c1ccc(nc1)O[*:1])N1CCC[C@@H]1Cc1ccccc1
O=C(c1ccc(OCC(F)F)nc1)N1CCC[C@@H]1Cc1ccccc1 FC(F)[*:1] O=C(c1ccc(nc1)OC[*:1])N1CCC[C@@H]1Cc1ccccc1
O=C(c1ccc(OCC(F)F)nc1)N1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(nc1)OCC(F)F)N1CCC[C@@H]1C[*:1]
O=C(c1ccc(OCC(F)F)nc1)N1CCC[C@@H]1Cc1ccccc1 FC(F)CO[*:1] O=C(c1ccc(nc1)[*:1])N1CCC[C@@H]1Cc1ccccc1
O=C(c1ccc(OCC(F)F)nc1)N1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1ccc(nc1)OCC(F)F)N1CCC[C@H]1[*:1]
COc1ccc(CNC(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCCS4)cc1 COc1ccc(cc1)[*:1] O=C(Cn1c2ccccc2c2nc3SCCCn3c(=O)c21)NC[*:1]
COc1ccc(CNC(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCCS4)cc1 COc1ccc(cc1)C[*:1] O=C(Cn1c2ccccc2c2nc3SCCCn3c(=O)c21)N[*:1]
CCCCCN(C)c1[nH+]cccc1N CCC[*:1] CN(CC[*:1])c1[nH+]cccc1N
CCCCCN(C)c1[nH+]cccc1N CCCC[*:1] CN(C[*:1])c1[nH+]cccc1N
COc1ccc2cc(-c3csc(NC(=O)COc4ccccc4)n3)oc2c1 c1ccc(cc1)OC[*:1] COc1ccc2cc(oc2c1)-c1csc(n1)NC(=O)[*:1]
COc1ccc2cc(-c3csc(NC(=O)COc4ccccc4)n3)oc2c1 c1ccc(cc1)O[*:1] COc1ccc2cc(oc2c1)-c1csc(n1)NC(=O)C[*:1]
COc1ccc2cc(-c3csc(NC(=O)COc4ccccc4)n3)oc2c1 c1ccc(cc1)[*:1] COc1ccc2cc(oc2c1)-c1csc(n1)NC(=O)CO[*:1]
Clc1ccc(OCc2nn3c(-c4cccnc4)nnc3s2)cc1 Clc1ccc(cc1)[*:1] c1cncc(c1)-c1nnc2sc(CO[*:1])nn12
Clc1ccc(OCc2nn3c(-c4cccnc4)nnc3s2)cc1 c1cncc(c1)[*:1] Clc1ccc(cc1)OCc1nn2c(nnc2s1)[*:1]
COC[C@H](C)n1c(SCC(=O)[O-])nc2cc(C)cnc21 COC[C@H](C)[*:1] Cc1cnc2c(c1)nc(SCC(=O)[O-])n2[*:1]
COC[C@H](C)n1c(SCC(=O)[O-])nc2cc(C)cnc21 O=C([O-])CS[*:1] COC[C@H](C)n1c(nc2cc(C)cnc21)[*:1]
COC[C@H](C)n1c(SCC(=O)[O-])nc2cc(C)cnc21 O=C([O-])C[*:1] COC[C@H](C)n1c(nc2cc(C)cnc21)S[*:1]
COC[C@H](C)n1c(SCC(=O)[O-])nc2cc(C)cnc21 O=C([O-])[*:1] COC[C@H](C)n1c(nc2cc(C)cnc21)SC[*:1]
COC[C@H](C)n1c(SCC(=O)[O-])nc2cc(C)cnc21 COC[*:1] Cc1cnc2c(c1)nc(SCC(=O)[O-])n2[C@@H](C)[*:1]
CCc1noc(C)c1C(=O)Nc1sc(-c2ccccc2)cc1C#N CCc1noc(C)c1[*:1] N#Cc1cc(sc1NC(=O)[*:1])-c1ccccc1
CCc1noc(C)c1C(=O)Nc1sc(-c2ccccc2)cc1C#N c1ccc(cc1)[*:1] CCc1noc(C)c1C(=O)Nc1sc(cc1C#N)[*:1]
COCCn1nc(C)c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1C Fc1cccc(c1F)[*:1] COCCn1nc(C)c(NC(=O)[C@H]2C[C@@H]2[*:1])c1C
COCCn1nc(C)c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)[*:1]
COCCn1nc(C)c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3occc32)C(=O)N1CCN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@]1(Cn2c(cc3occc32)C(=O)N1C[*:1])C(=O)NC1CCCCC1
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3occc32)C(=O)N1CCN1CCOCC1 O=C(NC1CCCCC1)[*:1] C[C@@]1(Cn2c(cc3occc32)C(=O)N1CCN1CCOCC1)[*:1]
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3occc32)C(=O)N1CCN1CCOCC1 C1CN(CCO1)[*:1] C[C@@]1(Cn2c(cc3occc32)C(=O)N1CC[*:1])C(=O)NC1CCCCC1
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3occc32)C(=O)N1CCN1CCOCC1 C1CCC(CC1)[*:1] C[C@@]1(Cn2c(cc3occc32)C(=O)N1CCN1CCOCC1)C(=O)N[*:1]
C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3occc32)C(=O)N1CCN1CCOCC1 C1CN(CCO1)CC[*:1] C[C@@]1(Cn2c(cc3occc32)C(=O)N1[*:1])C(=O)NC1CCCCC1
Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)[C@H]2CCC[C@H](C)C2)n1 Cc1cc(C)n(n1)[*:1] C[C@H]1CCC[C@@H](C1)N(C)C(=O)NC[C@@H](C)C[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)[C@H]2CCC[C@H](C)C2)n1 C[C@H]1CCC[C@@H](C1)[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)[*:1])n1
O=C(NCc1ccncc1)NC[C@@H](O)c1ccc2ccccc2c1 c1cc(ccn1)[*:1] O=C(NC[C@@H](O)c1ccc2ccccc2c1)NC[*:1]
O=C(NCc1ccncc1)NC[C@@H](O)c1ccc2ccccc2c1 c1cc(ccn1)C[*:1] O=C(NC[C@@H](O)c1ccc2ccccc2c1)N[*:1]
CCc1nn2c(c1-c1ccc(OC)cc1)NC(=O)[C@H]2CC(=O)Nc1cc([N+](=O)[O-])ccc1C COc1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)Nc2cc(ccc2C)[N+](=O)[O-])c1[*:1]
CCc1nn2c(c1-c1ccc(OC)cc1)NC(=O)[C@H]2CC(=O)Nc1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)Nc2cc(ccc2C)[*:1])c1-c1ccc(cc1)OC
CCc1nn2c(c1-c1ccc(OC)cc1)NC(=O)[C@H]2CC(=O)Nc1cc([N+](=O)[O-])ccc1C Cc1ccc(cc1[*:1])[N+](=O)[O-] CCc1nn2c(NC(=O)[C@H]2CC(=O)N[*:1])c1-c1ccc(cc1)OC
CCOCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C CCOC[*:1] Cc1ccc(cc1)-n1nc(C(=O)NCC[*:1])c2c3ccccc3n(C)c2c1=O
CCOCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C CCO[*:1] Cc1ccc(cc1)-n1nc(C(=O)NCCC[*:1])c2c3ccccc3n(C)c2c1=O
CCOCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C CCOCCCNC(=O)[*:1] Cc1ccc(cc1)-n1nc(c2c3ccccc3n(C)c2c1=O)[*:1]
CCOCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C CCOCCC[*:1] Cc1ccc(cc1)-n1nc(C(=O)N[*:1])c2c3ccccc3n(C)c2c1=O
CCOCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C Cc1ccc(cc1)[*:1] CCOCCCNC(=O)c1nn(c(=O)c2c1c1ccccc1n2C)[*:1]
CCOCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C CCOCC[*:1] Cc1ccc(cc1)-n1nc(C(=O)NC[*:1])c2c3ccccc3n(C)c2c1=O
O=C(Cc1c(F)cccc1F)Nc1cccc(Oc2ccccn2)c1 c1ccc(nc1)[*:1] O=C(Cc1c(F)cccc1F)Nc1cccc(c1)O[*:1]
O=C(Cc1c(F)cccc1F)Nc1cccc(Oc2ccccn2)c1 c1ccc(nc1)O[*:1] O=C(Cc1c(F)cccc1F)Nc1cccc(c1)[*:1]
O=C(Cc1c(F)cccc1F)Nc1cccc(Oc2ccccn2)c1 Fc1cccc(F)c1[*:1] O=C(C[*:1])Nc1cccc(c1)Oc1ccccn1
Cc1ccc(C)c(/C=C(/CO)C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(/C=C(/CO)[*:1])c1
CCn1nc(C)cc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl Clc1ccccc1[*:1] CCn1nc(C)cc1C(=O)Nc1ccc(Cl)cc1C(=O)[*:1]
CCn1nc(C)cc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl O=C(c1ccccc1Cl)[*:1] CCn1nc(C)cc1C(=O)Nc1ccc(Cl)cc1[*:1]
CCn1nc(C)cc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl CCn1nc(C)cc1[*:1] O=C(c1ccccc1Cl)c1cc(Cl)ccc1NC(=O)[*:1]
Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)n2)cc1C O=S(=O)(C(F)F)[*:1] Cc1ccc(cc1C)-c1csc(n1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)n2)cc1C FC(F)[*:1] Cc1ccc(cc1C)-c1csc(n1)NC(=O)c1ccc(cc1)S(=O)(=O)[*:1]
Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)n2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(cc1)S(=O)(=O)C(F)F
CCSCCS(=O)(=O)c1ccccc1 CCSC[*:1] O=S(=O)(C[*:1])c1ccccc1
CCSCCS(=O)(=O)c1ccccc1 CCS[*:1] O=S(=O)(CC[*:1])c1ccccc1
COC(CNC(=S)Nc1ccccc1F)OC COC(OC)[*:1] Fc1ccccc1NC(=S)NC[*:1]
CC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(cc1)C(F)(F)F)[*:1]
CC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1)C(C)C FC(F)(F)[*:1] CC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(cc1)[*:1])C(C)C
CC(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1)C(C)C CC(=O)N[*:1] CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(cc1)C(F)(F)F)[*:1]
CCCNc1cccc(-c2cscc2Br)[nH+]1 CCC[*:1] Brc1cscc1-c1cccc(N[*:1])[nH+]1
CCCNc1cccc(-c2cscc2Br)[nH+]1 CCCN[*:1] Brc1cscc1-c1cccc([nH+]1)[*:1]
CC(C)c1[nH+]ccn1[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N CC(C)(C)[*:1] CC(C)c1[nH+]ccn1[C@H]1C[C@@H](CC[C@@H]1C#N)[*:1]
CC(C)c1[nH+]ccn1[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N CC(C)[*:1] CC(C)(C)[C@H]1CC[C@H](C#N)[C@H](C1)n1cc[nH+]c1[*:1]
FC(F)(F)/C(Cl)=C(\CCl)c1ccccc1 FC(F)(F)[*:1] ClC/C(=C(/Cl)[*:1])c1ccccc1
Cc1ccc(C(=O)N(CC#N)CC#N)cc1I N#CC[*:1] Cc1ccc(cc1I)C(=O)N(CC#N)[*:1]
Cc1ccc(NC(=O)[C@@H]2N=NC3=C2CCc2ccccc23)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])[C@@H]1N=NC2=C1CCc1ccccc12
CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2csc(C(C)C)n2)c1 CC(=O)N[*:1] CC(C)c1nc(cs1)[C@@H](C)[NH2+][C@@H](C)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2csc(C(C)C)n2)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)[C@H](C)[NH2+][C@H](C)c1csc(n1)[*:1]
C[C@H](c1ccccc1Cl)N(C)C(=O)NCc1ccc2c(c1)OCCO2 Clc1ccccc1[*:1] C[C@H](N(C)C(=O)NCc1ccc2OCCOc2c1)[*:1]
O=[N+]([O-])c1ccc(COn2c([O-])c[n+](=O)c3ccccc32)cc1 O=[N+]([O-])[*:1] O=[n+]1cc([O-])n(OCc2ccc(cc2)[*:1])c2ccccc21
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H](O)C2)c1C CCC[*:1] Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](O)C2)c(C)n1[*:1]
COC(=O)CN[C@H]1CC[C@H]([NH3+])C1 COC(=O)[*:1] [NH3+][C@H]1CC[C@@H](C1)NC[*:1]
Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4ccccc4F)c3)nc2s1 Fc1ccccc1[*:1] Cc1cn2c(=O)cc(COc3cccc(c3)NC(=O)[*:1])nc2s1
CCOc1ccc(C(=O)/C=C/Nc2cc(C)cc(C)c2)cc1 CCO[*:1] Cc1cc(C)cc(c1)N/C=C/C(=O)c1ccc(cc1)[*:1]
CSc1ccc(C(=O)N(CC[NH+]2CCOCC2)c2nc3cc(C)c(C)cc3s2)cc1 CSc1ccc(cc1)[*:1] Cc1cc2nc(sc2cc1C)N(CC[NH+]1CCOCC1)C(=O)[*:1]
COc1nc(C)ccc1-c1noc(-c2ccc(C(C)(C)C)cc2)n1 CC(C)(C)[*:1] COc1nc(C)ccc1-c1noc(n1)-c1ccc(cc1)[*:1]
O=C(Cc1ccc(F)cc1)N1CCC(c2nc(O)c3nnn(Cc4ccsc4)c3n2)CC1 Fc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC(CC1)c1nc(O)c2nnn(Cc3ccsc3)c2n1
O=C(Cc1ccc(F)cc1)N1CCC(c2nc(O)c3nnn(Cc4ccsc4)c3n2)CC1 c1cc(cs1)C[*:1] O=C(Cc1ccc(F)cc1)N1CCC(CC1)c1nc(O)c2nnn(c2n1)[*:1]
O=C(Cc1ccc(F)cc1)N1CCC(c2nc(O)c3nnn(Cc4ccsc4)c3n2)CC1 c1cc(cs1)[*:1] O=C(Cc1ccc(F)cc1)N1CCC(CC1)c1nc(O)c2nnn(C[*:1])c2n1
O=C(Cc1ccc(F)cc1)N1CCC(c2nc(O)c3nnn(Cc4ccsc4)c3n2)CC1 Fc1ccc(cc1)C[*:1] O=C(N1CCC(CC1)c1nc(O)c2nnn(Cc3ccsc3)c2n1)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)[C@H]1CC(=O)N(CC[*:1])C1
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)CC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1
C[NH+](C1CC1)C1(C[NH3+])CCCCC1 C1CC1[*:1] C[NH+](C1(C[NH3+])CCCCC1)[*:1]
C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(O[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1F
C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1 Fc1ccc(c(F)c1)[*:1] C[C@@H](OC(=O)C1CCN(CC1)C(=O)[*:1])c1ccccc1
C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1F)[*:1]
CC[NH2+][C@@H](CSCC)Cc1nc(C)c(C)s1 CCSC[*:1] CC[NH2+][C@@H](Cc1nc(C)c(C)s1)[*:1]
CC[NH2+][C@@H](CSCC)Cc1nc(C)c(C)s1 CCS[*:1] CC[NH2+][C@H](Cc1nc(C)c(C)s1)C[*:1]
Cc1cc(OCc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)nnc1C Cc1cc(nnc1C)[*:1] CS(=O)(=O)c1ccc(cc1)-c1nc(co1)CO[*:1]
Cc1cc(OCc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)nnc1C CS(=O)(=O)[*:1] Cc1cc(nnc1C)OCc1coc(n1)-c1ccc(cc1)[*:1]
C=CCN(CC=C)C(=O)Nc1ccccc1Cl C=CC[*:1] C=CCN(C(=O)Nc1ccccc1Cl)[*:1]
CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccc2)c1 CNS(=O)(=O)[*:1] O=C(NCCc1ccccc1)c1cc(ccc1Cl)[*:1]
CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccc2)c1 c1ccc(cc1)C[*:1] CNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NC[*:1]
CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccc2)c1 c1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCC[*:1]
O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc(Cl)cc1 c1cnc2c(cccc2c1)[*:1] O=C(NNc1ncnc(S[*:1])c1[N+](=O)[O-])c1ccc(Cl)cc1
O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])[*:1]
O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])c1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[*:1])c1ccc(Cl)cc1
COc1ccccc1NC(=S)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 COc1ccccc1[*:1] Fc1ccc(cc1)C(c1ccc(F)cc1)N1CCN(CC1)C(=S)N[*:1]
COc1ccccc1NC(=S)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccccc1NC(=S)N1CCN(CC1)C(c1ccc(F)cc1)[*:1]
Cc1nc(CNC(=O)c2cc3ccccc3c(=O)[nH]2)sc1C Cc1nc(sc1C)[*:1] O=C(NC[*:1])c1cc2ccccc2c(=O)[nH]1
CC(C)(CNC(=O)CCc1cccnc1)c1c(Cl)cccc1Cl c1cncc(c1)C[*:1] CC(C)(CNC(=O)C[*:1])c1c(Cl)cccc1Cl
CC(C)(CNC(=O)CCc1cccnc1)c1c(Cl)cccc1Cl c1cncc(c1)[*:1] CC(C)(CNC(=O)CC[*:1])c1c(Cl)cccc1Cl
O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C1 O=C([O-])[*:1] O=S(=O)(N[C@@H]1C=C[C@@H](C1)[*:1])c1ccc(Br)cc1
CCc1ccc([C@H](C)C(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1 CC(=O)N[*:1] CCc1ccc(cc1)[C@H](C)C(=O)Nc1cc(Cl)ccc1[*:1]
CCc1ccc([C@H](C)C(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1 CCc1ccc(cc1)[*:1] CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H](C)[*:1]
C1CCC([NH2+]C[C@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)C1 C1CCC(C1)[*:1] C1CC[C@H]2[NH2+][C@H](CC[C@H]2C1)C[NH2+][*:1]
Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(F)cc3)c2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1ccc(F)cc1)c1c[nH]c(=O)n(c1=O)[*:1]
Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(F)cc3)c2=O)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1c(=O)[nH]cc(C(=O)N[*:1])c1=O
CC(C)N(C(=O)Cn1c(C(F)F)cc2cccnc21)C(C)C FC(F)[*:1] CC(C)N(C(=O)Cn1c(cc2cccnc21)[*:1])C(C)C
CC(C)N(C(=O)Cn1c(C(F)F)cc2cccnc21)C(C)C CC(C)[*:1] CC(C)N(C(=O)Cn1c(cc2cccnc21)C(F)F)[*:1]
CC(C)c1csc([C@@H](C#N)C(=O)C2(c3cccc(Cl)c3)CCC2)n1 Clc1cccc(c1)[*:1] CC(C)c1csc(n1)[C@@H](C#N)C(=O)C1(CCC1)[*:1]
CC(C)c1csc([C@@H](C#N)C(=O)C2(c3cccc(Cl)c3)CCC2)n1 CC(C)[*:1] N#C[C@@H](C(=O)C1(CCC1)c1cccc(Cl)c1)c1nc(cs1)[*:1]
CC(C)c1csc([C@@H](C#N)C(=O)C2(c3cccc(Cl)c3)CCC2)n1 CC(C)c1csc(n1)[*:1] N#C[C@@H](C(=O)C1(CCC1)c1cccc(Cl)c1)[*:1]
C[C@H](C(=O)[C@@H](C#N)c1ccccn1)N1CCc2ccccc2C1 c1ccc(nc1)[*:1] C[C@H](C(=O)[C@@H](C#N)[*:1])N1CCc2ccccc2C1
CCN(CC)C(=O)C[NH+]1CCCN(C(=O)c2cccc(Br)c2)CC1 CCN(CC)C(=O)[*:1] O=C(c1cccc(Br)c1)N1CCC[NH+](CC1)C[*:1]
CCN(CC)C(=O)C[NH+]1CCCN(C(=O)c2cccc(Br)c2)CC1 CCN(CC)C(=O)C[*:1] O=C(c1cccc(Br)c1)N1CCC[NH+](CC1)[*:1]
CCN(CC)C(=O)C[NH+]1CCCN(C(=O)c2cccc(Br)c2)CC1 Brc1cccc(c1)[*:1] CCN(CC)C(=O)C[NH+]1CCCN(CC1)C(=O)[*:1]
CC(C)OCCC(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl CC(C)[*:1] C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)CCO[*:1]
CC(C)OCCC(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl CC(C)OCC[*:1] C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[*:1]
CC(C)OCCC(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl CC(C)O[*:1] C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)CC[*:1]
CC(C)OCCC(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl CC(C)OC[*:1] C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C[*:1]
NC(=O)CSc1nnc(C2CCCCC2)n1N NC(=O)[*:1] Nn1c(nnc1C1CCCCC1)SC[*:1]
NC(=O)CSc1nnc(C2CCCCC2)n1N NC(=O)C[*:1] Nn1c(nnc1C1CCCCC1)S[*:1]
NC(=O)CSc1nnc(C2CCCCC2)n1N NC(=O)CS[*:1] Nn1c(nnc1[*:1])C1CCCCC1
O=C(COC(=O)c1nc(Cl)ccc1Cl)NCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(COC(=O)c1nc(Cl)ccc1Cl)NC[*:1]
O=C(COC(=O)c1nc(Cl)ccc1Cl)NCc1ccc(Cl)cc1Cl Clc1ccc(Cl)c(n1)[*:1] O=C(COC(=O)[*:1])NCc1ccc(Cl)cc1Cl
Cc1cc(C)nc(SCC(=O)NCC(C2CC2)C2CC2)n1 C1CC1[*:1] Cc1cc(C)nc(n1)SCC(=O)NCC(C1CC1)[*:1]
Cc1cc(C)nc(SCC(=O)NCC(C2CC2)C2CC2)n1 C1CC1C(C1CC1)[*:1] Cc1cc(C)nc(n1)SCC(=O)NC[*:1]
O=C1N[C@H](c2cc[nH]n2)Nc2ccccc21 c1cc(n[nH]1)[*:1] O=C1N[C@H](Nc2ccccc21)[*:1]
COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCc2ccccc2C1 c1ccc(cc1)[*:1] COc1cc(=O)n(nc1C(=O)N1CCc2ccccc2C1)[*:1]
CN(CCN1CCOCC1)[C@@H](C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CCN1CCOCC1)[C@@H](C(N)=O)[*:1]
CN(CCN1CCOCC1)[C@@H](C(N)=O)c1ccccc1 C1CN(CCO1)[*:1] CN(CC[*:1])[C@@H](C(N)=O)c1ccccc1
CN(CCN1CCOCC1)[C@@H](C(N)=O)c1ccccc1 NC(=O)[*:1] CN(CCN1CCOCC1)[C@@H](c1ccccc1)[*:1]
CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCc2ccc(F)cc21 CS(=O)(=O)[*:1] O=S(=O)(CCC[*:1])N[C@@H]1CCCc2ccc(F)cc21
CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCc2ccc(F)cc21 CS(=O)(=O)CCC[*:1] O=S(=O)(N[C@@H]1CCCc2ccc(F)cc21)[*:1]
CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCc2ccc(F)cc21 CS(=O)(=O)CC[*:1] O=S(=O)(C[*:1])N[C@@H]1CCCc2ccc(F)cc21
CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCc2ccc(F)cc21 CS(=O)(=O)C[*:1] O=S(=O)(CC[*:1])N[C@@H]1CCCc2ccc(F)cc21
CCN(CC)C(=O)c1cccc(NC(=O)N(C)Cc2ccccc2C)c1 Cc1ccccc1C[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)N(C)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)N(C)Cc2ccccc2C)c1 Cc1ccccc1[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)N(C)C[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)N(C)Cc2ccccc2C)c1 CCN(CC)C(=O)[*:1] Cc1ccccc1CN(C)C(=O)Nc1cccc(c1)[*:1]
CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2cccnc2)C1 CN(C)C(=O)[*:1] O=C(Cc1cccnc1)N1CCC[C@](Cc2ccc(cc2)-c2ccccc2)(C1)[*:1]
CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2cccnc2)C1 c1cncc(c1)[*:1] CN(C)C(=O)[C@]1(CCCN(C1)C(=O)C[*:1])Cc1ccc(cc1)-c1ccccc1
CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2cccnc2)C1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@]1(CCCN(C1)C(=O)Cc1cccnc1)Cc1ccc(cc1)[*:1]
CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2cccnc2)C1 c1cncc(c1)C[*:1] CN(C)C(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1ccc(cc1)-c1ccccc1
COc1ccc(OCC(=O)NCCn2ncc3c2c(C)nn3C)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)c2cnn(CCNC(=O)CO[*:1])c12
C[C@@H](NC(=O)c1cc(C#N)cs1)C(C)(C)c1ccccc1 N#Cc1csc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(C)(C)c1ccccc1
C[C@@H](NC(=O)c1cc(C#N)cs1)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cc(C#N)cs1)C(C)(C)[*:1]
Cc1cccc(N2CCN(C[C@H](O)c3ccccc3)CC2)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C[C@H](O)[*:1]
CC[C@H](NC(=O)Nc1cc(C#N)ccc1C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)Nc1cc(C#N)ccc1C)c1cccc(c1)[*:1]
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] CC(C)(C)c1ccc(cc1)Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NC[*:1]
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)cc1 CC(C)(C)[*:1] N#C/C(=C\c1c(nc2ccccn2c1=O)Oc1ccc(cc1)[*:1])C(=O)NCc1ccco1
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] CC(C)(C)c1ccc(cc1)Oc1nc2ccccn2c(=O)c1C=C(C#N)[*:1]
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] CC(C)(C)c1ccc(cc1)Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)N[*:1]
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)cc1 CC(C)(C)c1ccc(cc1)[*:1] N#C/C(=C\c1c(nc2ccccn2c1=O)O[*:1])C(=O)NCc1ccco1
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)cc1 CC(C)(C)c1ccc(cc1)O[*:1] N#C/C(=C\c1c(nc2ccccn2c1=O)[*:1])C(=O)NCc1ccco1
CCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1OC CCC[*:1] COc1cc(ccc1[N-]S(=O)(=O)[*:1])[N+](=O)[O-]
CCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] CCCS(=O)(=O)[N-]c1ccc(cc1OC)[*:1]
COc1cc(OC)c(OC)cc1CNC(=O)Cc1cccc(F)c1F Fc1cccc(c1F)[*:1] COc1cc(OC)c(cc1CNC(=O)C[*:1])OC
CC(=O)N1CCC([NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)CC1 Clc1ccccc1C[*:1] CC(=O)N1CCC(CC1)[NH+]1CCC(CO)(CC1)[*:1]
CC(=O)N1CCC([NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)CC1 Clc1ccccc1[*:1] CC(=O)N1CCC(CC1)[NH+]1CCC(CO)(CC1)C[*:1]
C[C@H]([NH2+]C[C@H](O)c1ccccc1)[C@@H](C)O C[C@@H](O)[*:1] C[C@H]([NH2+]C[C@H](O)c1ccccc1)[*:1]
Cc1ccccc1C(=O)NN(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)NN(Cc1ccccc1)[*:1]
Cc1ccccc1C(=O)NN(Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] Cc1ccccc1C(=O)NN(c1ccccc1)[*:1]
Cc1ccccc1C(=O)NN(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)NN(C[*:1])c1ccccc1
Cc1ccccc1C(=O)NN(Cc1ccccc1)c1ccccc1 Cc1ccccc1[*:1] O=C(NN(Cc1ccccc1)c1ccccc1)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)NCCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)NCCCOC[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)NCCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H]1Cc2ccccc2N1C(=O)NCCCO[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)NCCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] C[C@@H]1Cc2ccccc2N1C(=O)NCCC[*:1]
Cc1csc(/N=C2/S/C(=C3\C(=O)Nc4ccc(Br)cc43)C(=O)N2C)n1 Cc1csc(n1)[*:1] CN1C(=O)/C(SC1=N[*:1])=C1/C(=O)Nc2ccc(Br)cc21
COC[C@](C)(NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1 COC[*:1] C[C@](NC(=O)Cn1c(=O)cnc2ccccc21)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)Cn1c(=O)cnc2ccccc21)[*:1]
CC(C)(C)n1cnnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl CC(C)(C)[*:1] O=C(CSc1nncn1[*:1])Nc1cc(ccc1Cl)C(F)(F)F
CC(C)(C)n1cnnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] CC(C)(C)n1cnnc1SCC(=O)Nc1cc(ccc1Cl)[*:1]
CC(C)C(=O)Nc1ccc(Oc2nc(C(C)C)ns2)cc1 CC(C)[*:1] CC(C)c1nsc(n1)Oc1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(Oc2nc(C(C)C)ns2)cc1 CC(C)[*:1] CC(C)C(=O)Nc1ccc(cc1)Oc1nc(ns1)[*:1]
CC(C)C(=O)Nc1ccc(Oc2nc(C(C)C)ns2)cc1 CC(C)C(=O)N[*:1] CC(C)c1nsc(n1)Oc1ccc(cc1)[*:1]
COc1ccccc1[C@@H](NC(=O)N1CCc2ccccc21)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)N1CCc2ccccc21)[*:1]
COc1ccccc1[C@@H](NC(=O)N1CCc2ccccc21)c1ccccn1 COc1ccccc1[*:1] O=C(N[C@@H](c1ccccn1)[*:1])N1CCc2ccccc21
COc1ccccc1OCCCN1C(=O)[C@@H](NC(C)=O)c2cccc(C)c21 COc1ccccc1O[*:1] CC(=O)N[C@@H]1C(=O)N(CCC[*:1])c2c(C)cccc21
COc1ccccc1OCCCN1C(=O)[C@@H](NC(C)=O)c2cccc(C)c21 CC(=O)N[*:1] COc1ccccc1OCCCN1C(=O)[C@@H](c2cccc(C)c21)[*:1]
COc1ccccc1OCCCN1C(=O)[C@@H](NC(C)=O)c2cccc(C)c21 COc1ccccc1[*:1] CC(=O)N[C@@H]1C(=O)N(CCCO[*:1])c2c(C)cccc21
CCOC(=O)c1cc2c(s1)CC[C@@H](C)C2 CCOC(=O)[*:1] C[C@@H]1CCc2sc(cc2C1)[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](c3cccc(F)c3)c3nccn3C)ccc21 Cn1ccnc1[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)N[C@H](c1cccc(F)c1)[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](c3cccc(F)c3)c3nccn3C)ccc21 Fc1cccc(c1)[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)N[C@H](c1nccn1C)[*:1]
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)Cc3ccccc3)cc21 c1ccc(cc1)[*:1] CCC(=O)N1CCc2cc(Br)c(cc21)S(=O)(=O)N(C)C[*:1]
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)Cc3ccccc3)cc21 c1ccc(cc1)C[*:1] CCC(=O)N1CCc2cc(Br)c(cc21)S(=O)(=O)N(C)[*:1]
CCCCCCO[C@@H]1CCC[C@@H]([NH3+])C1 CCC[*:1] [NH3+][C@@H]1CCC[C@H](C1)OCCC[*:1]
CCCCCCO[C@@H]1CCC[C@@H]([NH3+])C1 CCCC[*:1] [NH3+][C@@H]1CCC[C@H](C1)OCC[*:1]
CCCC(CCC)=NNS(=O)(=O)c1ccc(Cl)cc1 CCC[*:1] CCCC(=NNS(=O)(=O)c1ccc(Cl)cc1)[*:1]
Cc1sc2ncnc(OCC(=O)Nc3ccc(SC(F)F)cc3)c2c1C FC(F)S[*:1] Cc1sc2ncnc(OCC(=O)Nc3ccc(cc3)[*:1])c2c1C
Cc1sc2ncnc(OCC(=O)Nc3ccc(SC(F)F)cc3)c2c1C FC(F)[*:1] Cc1sc2ncnc(OCC(=O)Nc3ccc(cc3)S[*:1])c2c1C
Cn1ccnc1CN1CCCN(C(=O)Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cn1ccnc1CN1CCCN(CC1)C(=O)C[*:1]
Cn1ccnc1CN1CCCN(C(=O)Cc2ccc(Cl)cc2)CC1 Cn1ccnc1[*:1] O=C(Cc1ccc(Cl)cc1)N1CCCN(CC1)C[*:1]
Cn1ccnc1CN1CCCN(C(=O)Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] Cn1ccnc1CN1CCCN(CC1)C(=O)[*:1]
Cn1ccnc1CN1CCCN(C(=O)Cc2ccc(Cl)cc2)CC1 Cn1ccnc1C[*:1] O=C(Cc1ccc(Cl)cc1)N1CCCN(CC1)[*:1]
CCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cccs2)cc1 c1csc(c1)[*:1] CCC(C)(C)c1ccc(cc1)OCC(=O)NNC(=O)[*:1]
CCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cccs2)cc1 CCC(C)(C)[*:1] O=C(COc1ccc(cc1)[*:1])NNC(=O)c1cccs1
CN(CCCS(C)(=O)=O)C(=O)[C@@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CN(CCCS(C)(=O)=O)C(=O)[C@@H]1C[C@H]1[*:1]
CN(CCCS(C)(=O)=O)C(=O)[C@@H]1C[C@@H]1c1ccccc1F CS(=O)(=O)CCC[*:1] CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1F)[*:1]
CN(CCCS(C)(=O)=O)C(=O)[C@@H]1C[C@@H]1c1ccccc1F CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccccc1F
CN(CCCS(C)(=O)=O)C(=O)[C@@H]1C[C@@H]1c1ccccc1F CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)[C@@H]1C[C@@H]1c1ccccc1F
CN(CCCS(C)(=O)=O)C(=O)[C@@H]1C[C@@H]1c1ccccc1F CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)[C@@H]1C[C@@H]1c1ccccc1F
Cc1ccc(NC(=O)CN2C(=O)N[C@@H](c3cc(C)ccc3C)C3=C2COC3=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1ccc(C)c(c1)[C@@H]1NC(=O)N(C[*:1])C2COC(=O)C=21
Cc1ccc(NC(=O)CN2C(=O)N[C@@H](c3cc(C)ccc3C)C3=C2COC3=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)[C@@H]1NC(=O)N(CC(=O)N[*:1])C2COC(=O)C=21
Cc1ccc(NC(=O)CN2C(=O)N[C@@H](c3cc(C)ccc3C)C3=C2COC3=O)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)NC(=O)CN1C(=O)N[C@@H](C2C(=O)OCC=21)[*:1]
COc1ccc(COCCNC(=O)Nc2cc(C)cc(C)c2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)NCCOC[*:1]
COc1ccc(COCCNC(=O)Nc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1)COCCNC(=O)N[*:1]
COC(=O)[C@@]1(NC(=O)CCc2ncc(-c3ccccc3)o2)CCOC1 COC(=O)[*:1] O=C(CCc1ncc(o1)-c1ccccc1)N[C@]1(CCOC1)[*:1]
COC(=O)[C@@]1(NC(=O)CCc2ncc(-c3ccccc3)o2)CCOC1 c1ccc(cc1)[*:1] COC(=O)[C@]1(CCOC1)NC(=O)CCc1ncc(o1)[*:1]
C[C@@H](O)C(=O)N1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 c1cncc(c1)[*:1] C[C@@H](O)C(=O)N1CCN(CC1)Cc1c[nH]nc1[*:1]
C[C@@H](O)C(=O)N1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 C[C@@H](O)[*:1] O=C(N1CCN(CC1)Cc1c[nH]nc1-c1cccnc1)[*:1]
COc1ccnc(N[C@H](C)CC(=O)[O-])n1 O=C([O-])[*:1] COc1ccnc(n1)N[C@H](C)C[*:1]
COc1ccnc(N[C@H](C)CC(=O)[O-])n1 O=C([O-])C[*:1] COc1ccnc(n1)N[C@H](C)[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@H](O)c1ccc2ccccc2c1 CCS(=O)(=O)C[*:1] C[C@@H](NC(=O)NC[C@H](O)c1ccc2ccccc2c1)[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@H](O)c1ccc2ccccc2c1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)NC[C@H](O)c1ccc2ccccc2c1
CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(OC)cc1)N(c1nccs1)C3=O COc1ccc(cc1)[*:1] CCc1ccc2oc3C(=O)N(c4nccs4)[C@@H](c3c(=O)c2c1)[*:1]
CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(OC)cc1)N(c1nccs1)C3=O c1csc(n1)[*:1] CCc1ccc2oc3C(=O)N([C@@H](c4ccc(cc4)OC)c3c(=O)c2c1)[*:1]
CCCCc1c([O-])nc(-c2ccccc2Br)oc1=O CCCC[*:1] O=c1oc(nc([O-])c1[*:1])-c1ccccc1Br
CCCCc1c([O-])nc(-c2ccccc2Br)oc1=O CCC[*:1] O=c1oc(nc([O-])c1C[*:1])-c1ccccc1Br
Cc1ccc(F)cc1NC(=O)[C@H]1CN(S(C)(=O)=O)CC12CCCCC2 Cc1ccc(F)cc1[*:1] CS(=O)(=O)N1C[C@H](C(=O)N[*:1])C2(CCCCC2)C1
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1 c1ccc(cc1)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC2(CCCCC2)C1
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1 c1ccc(cc1)C[*:1] CCN(S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC2(CCCCC2)C1)[*:1]
CC[C@@H](C(=O)[O-])N1CCN(Cc2cccc(C)c2)C(=O)C1=O Cc1cccc(c1)[*:1] CC[C@@H](C(=O)[O-])N1CCN(C[*:1])C(=O)C1=O
CC[C@@H](C(=O)[O-])N1CCN(Cc2cccc(C)c2)C(=O)C1=O O=C([O-])[*:1] CC[C@@H](N1CCN(Cc2cccc(C)c2)C(=O)C1=O)[*:1]
O=C(Cc1noc2ccccc12)N[C@H](c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] O=C(Cc1noc2ccccc12)N[C@H](c1ccc(F)cc1)[*:1]
O=C(Cc1noc2ccccc12)N[C@H](c1ccc(F)cc1)C1CCCC1 Fc1ccc(cc1)[*:1] O=C(Cc1noc2ccccc12)N[C@H](C1CCCC1)[*:1]
O=C(Cc1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(c1ccccc1)[C@@H](OC(=O)[*:1])c1ccccc1
O=C(Cc1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1)O[C@H](C(=O)c1ccccc1)[*:1]
O=C(Cc1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(Cc1ccccc1)O[C@H](c1ccccc1)[*:1]
O=C(Cc1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[*:1])O[C@H](C(=O)c1ccccc1)c1ccccc1
O=C(Cc1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1)O[C@H](C(=O)[*:1])c1ccccc1
Cc1cc(NC(=O)[C@H](C)Nc2cccc(OCC(F)(F)F)c2)on1 FC(F)(F)C[*:1] Cc1cc(NC(=O)[C@H](C)Nc2cccc(c2)O[*:1])on1
Cc1cc(NC(=O)[C@H](C)Nc2cccc(OCC(F)(F)F)c2)on1 Cc1cc(on1)[*:1] C[C@H](Nc1cccc(c1)OCC(F)(F)F)C(=O)N[*:1]
Cc1cc(NC(=O)[C@H](C)Nc2cccc(OCC(F)(F)F)c2)on1 FC(F)(F)CO[*:1] Cc1cc(NC(=O)[C@H](C)Nc2cccc(c2)[*:1])on1
Cc1cc(NC(=O)[C@H](C)Nc2cccc(OCC(F)(F)F)c2)on1 FC(F)(F)[*:1] Cc1cc(NC(=O)[C@H](C)Nc2cccc(c2)OC[*:1])on1
CCC[NH+](CC(=O)N(C)C)Cc1cc(F)cc(Br)c1 CN(C)C(=O)[*:1] CCC[NH+](Cc1cc(F)cc(Br)c1)C[*:1]
CCC[NH+](CC(=O)N(C)C)Cc1cc(F)cc(Br)c1 CCC[*:1] CN(C)C(=O)C[NH+](Cc1cc(F)cc(Br)c1)[*:1]
CCC[NH+](CC(=O)N(C)C)Cc1cc(F)cc(Br)c1 CN(C)C(=O)C[*:1] CCC[NH+](Cc1cc(F)cc(Br)c1)[*:1]
N#CC[NH+](Cc1cccs1)Cc1cccs1 N#CC[*:1] c1csc(c1)C[NH+](Cc1cccs1)[*:1]
N#CC[NH+](Cc1cccs1)Cc1cccs1 c1csc(c1)[*:1] N#CC[NH+](Cc1cccs1)C[*:1]
C[C@H](C[NH+]1CCN(c2cc(Cl)ncn2)CC1)CS(C)(=O)=O C[C@H](CS(C)(=O)=O)[*:1] Clc1cc(ncn1)N1CC[NH+](CC1)C[*:1]
C[C@H](C[NH+]1CCN(c2cc(Cl)ncn2)CC1)CS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@H](C[NH+]1CCN(CC1)c1cc(Cl)ncn1)[*:1]
C[C@H](C[NH+]1CCN(c2cc(Cl)ncn2)CC1)CS(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](C[NH+]1CCN(CC1)c1cc(Cl)ncn1)C[*:1]
C[C@H](C[NH+]1CCN(c2cc(Cl)ncn2)CC1)CS(C)(=O)=O Clc1cc(ncn1)[*:1] C[C@H](C[NH+]1CCN(CC1)[*:1])CS(C)(=O)=O
O=C1N=NC=C(NCc2ccccc2OC2CCCC2)[C@@H]1Cl C1CCC(C1)O[*:1] O=C1N=NC=C(NCc2ccccc2[*:1])[C@@H]1Cl
O=C1N=NC=C(NCc2ccccc2OC2CCCC2)[C@@H]1Cl C1CCC(C1)[*:1] O=C1N=NC=C(NCc2ccccc2O[*:1])[C@@H]1Cl
CCNc1nc(-c2[nH]cc[nH+]2)nc(C)c1C(C)C CC(C)[*:1] CCNc1nc(nc(C)c1[*:1])-c1[nH]cc[nH+]1
CCNc1nc(-c2[nH]cc[nH+]2)nc(C)c1C(C)C CCN[*:1] Cc1nc(nc(c1C(C)C)[*:1])-c1[nH]cc[nH+]1
COc1ccc(F)cc1C(=O)N(CCc1cccc(F)c1)C1CC1 Fc1cccc(c1)[*:1] COc1ccc(F)cc1C(=O)N(CC[*:1])C1CC1
COc1ccc(F)cc1C(=O)N(CCc1cccc(F)c1)C1CC1 C1CC1[*:1] COc1ccc(F)cc1C(=O)N(CCc1cccc(F)c1)[*:1]
COc1ccc(F)cc1C(=O)N(CCc1cccc(F)c1)C1CC1 Fc1cccc(c1)C[*:1] COc1ccc(F)cc1C(=O)N(C[*:1])C1CC1
C[C@](C#N)(OC(=O)c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@](C#N)(OC(=O)c1ccccc1)[*:1]
C[C@](C#N)(OC(=O)c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] C[C@](C#N)(OC(=O)[*:1])c1ccncc1
C[NH+](CC(=O)Nc1ccc(SC(F)F)cc1)Cc1cccs1 FC(F)S[*:1] C[NH+](CC(=O)Nc1ccc(cc1)[*:1])Cc1cccs1
C[NH+](CC(=O)Nc1ccc(SC(F)F)cc1)Cc1cccs1 FC(F)[*:1] C[NH+](CC(=O)Nc1ccc(cc1)S[*:1])Cc1cccs1
C[NH+](CC(=O)Nc1ccc(SC(F)F)cc1)Cc1cccs1 c1csc(c1)C[*:1] C[NH+](CC(=O)Nc1ccc(cc1)SC(F)F)[*:1]
C[NH+](CC(=O)Nc1ccc(SC(F)F)cc1)Cc1cccs1 c1csc(c1)[*:1] C[NH+](CC(=O)Nc1ccc(cc1)SC(F)F)C[*:1]
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CC1 C1CC1[*:1] C[C@H](Sc1nnc(o1)-c1ccc(Cl)cc1)C(=O)N[*:1]
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CC1 Clc1ccc(cc1)[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)NC1CC1
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@H](Sc1nnc(o1)-c1ccc(Cl)cc1)[*:1]
COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@@H](C)c1ccc(Cl)cc1 C[C@@H](c1ccc(Cl)cc1)[*:1] COc1ccc(C)cc1-n1nnnc1SCC(=O)N[*:1]
COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@@H](C)[*:1]
COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@@H](C)c1ccc(Cl)cc1 COc1ccc(C)cc1[*:1] C[C@H](NC(=O)CSc1nnnn1[*:1])c1ccc(Cl)cc1
Cc1cnc2c(c1)nc(CCl)n2[C@H](C)Cc1ccc(C)s1 Cc1ccc(C[*:1])s1 Cc1cnc2c(c1)nc(CCl)n2[C@H](C)[*:1]
Cc1cnc2c(c1)nc(CCl)n2[C@H](C)Cc1ccc(C)s1 Cc1ccc(s1)[*:1] Cc1cnc2c(c1)nc(CCl)n2[C@H](C)C[*:1]
CCOC(=O)c1cnn(C)c1NC(=O)COc1cc(C)cc(C)c1 CCOC(=O)[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1c(cnn1C)[*:1]
CCOC(=O)c1cnn(C)c1NC(=O)COc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] CCOC(=O)c1cnn(C)c1NC(=O)CO[*:1]
O=C(c1ccc2ncsc2c1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 c1cncc(c1)C[*:1] O=C(c1ccc2ncsc2c1)N(c1nc2ccc(Br)cc2s1)[*:1]
O=C(c1ccc2ncsc2c1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 c1cncc(c1)[*:1] O=C(c1ccc2ncsc2c1)N(C[*:1])c1nc2ccc(Br)cc2s1
O=C(c1ccc2ncsc2c1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 c1nc2ccc(cc2s1)[*:1] O=C(N(Cc1cccnc1)c1nc2ccc(Br)cc2s1)[*:1]
Cc1cc(CNc2cc([C@H]3COCCN3)nc(C)n2)on1 Cc1cc(on1)[*:1] Cc1nc(cc(n1)[C@H]1COCCN1)NC[*:1]
Cc1cc(CNc2cc([C@H]3COCCN3)nc(C)n2)on1 Cc1cc(C[*:1])on1 Cc1nc(cc(n1)[C@H]1COCCN1)N[*:1]
CCC(CC)(CC(=O)Nc1cccc(Br)c1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(CC(=O)Nc1cccc(Br)c1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)c1cncc(Br)c1 CC(C)[*:1] Cc1cccc(c1NC(=O)c1cncc(Br)c1)[*:1]
N#Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)C(=O)NC[C@@H](N1CCOCC1)[*:1]
N#Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] N#Cc1ccc(cc1)C(=O)NC[C@@H](c1cccs1)[*:1]
N#Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccs1)N1CCOCC1)[*:1]
COCCOC(=O)[C@@H]1COc2ccccc2C1 COC[*:1] O=C(OC[*:1])[C@@H]1COc2ccccc2C1
COCCOC(=O)[C@@H]1COc2ccccc2C1 COCC[*:1] O=C(O[*:1])[C@@H]1COc2ccccc2C1
Cc1ccc2c(CC(=O)N[C@@H](c3ccccc3)c3ccccn3)coc2c1C c1ccc(nc1)[*:1] Cc1ccc2c(coc2c1C)CC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccc2c(CC(=O)N[C@@H](c3ccccc3)c3ccccn3)coc2c1C c1ccc(cc1)[*:1] Cc1ccc2c(coc2c1C)CC(=O)N[C@@H](c1ccccn1)[*:1]
C[NH+](C)[C@H](CNC(=O)Cc1ccccc1Cl)c1ccco1 Clc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)C[*:1])c1ccco1
C[NH+](C)[C@H](CNC(=O)Cc1ccccc1Cl)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)Cc1ccccc1Cl)[*:1]
CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 C1CCC(C1)[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1c(oc2ccccc12)C(N)=O)[*:1]
CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 NC(=O)[*:1] CN(C1CCCC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1c(oc2ccccc12)[*:1]
CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 CN(C1CCCC1)S(=O)(=O)[*:1] NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(cc1)[*:1]
NC(=O)c1cccc(C[S@](=O)Cc2cc(Cl)ccc2Cl)c1 NC(=O)[*:1] O=[S@@](Cc1cccc(c1)[*:1])Cc1cc(Cl)ccc1Cl
COc1ccccc1[C@H]1CN2C(=O)CN(CCCO)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 OCCC[*:1] COc1ccccc1[C@H]1CN2C(=O)CN(C(=O)[C@]2(C)c2[nH]c3ccccc3c21)[*:1]
COc1ccccc1[C@H]1CN2C(=O)CN(CCCO)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 OCC[*:1] COc1ccccc1[C@H]1CN2C(=O)CN(C[*:1])C(=O)[C@]2(C)c2[nH]c3ccccc3c21
COc1ccccc1[C@H]1CN2C(=O)CN(CCCO)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 COc1ccccc1[*:1] C[C@]12C(=O)N(CCCO)CC(=O)N1C[C@@H](c1c2[nH]c2ccccc12)[*:1]
O=[N+]([O-])c1cccc(OCc2ccc(Cl)nc2)c1 O=[N+]([O-])[*:1] Clc1ccc(cn1)COc1cccc(c1)[*:1]
C[C@H]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)[C@@H]1CO FC(F)(F)[*:1] C[C@H]1CCCN(C(=O)Nc2ccc(cc2Cl)[*:1])[C@@H]1CO
Cc1nsc(N2CCCN(CC3=CCCOC3)CC2)n1 Cc1nsc(n1)[*:1] C1CCOCC=1CN1CCCN(CC1)[*:1]
Cc1nc(CCC(=O)O[C@H](C)[C@H]2CCOC2)oc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(CCC(=O)O[C@H](C)[C@H]2CCOC2)oc1[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 O=C(c1ccccc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CCC(CC1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CCC(CC1)C(=O)[*:1]
CCCn1cc(Cl)cc1C(=O)Nc1cc(C)c(Br)cn1 CCC[*:1] Cc1cc(ncc1Br)NC(=O)c1cc(Cl)cn1[*:1]
COc1ccc(-c2c(C)nn(-c3ccccc3)c2/N=C/N2CCOCC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1c(C)nn(c1/N=C/N1CCOCC1)[*:1]
COc1ccc(-c2c(C)nn(-c3ccccc3)c2/N=C/N2CCOCC2)cc1OC COc1ccc(cc1OC)[*:1] Cc1nn(-c2ccccc2)c(/N=C/N2CCOCC2)c1[*:1]
CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c(Cl)cc1Cl CN(C)S(=O)(=O)[*:1] O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc(c(Cl)cc1Cl)[*:1]
CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c(Cl)cc1Cl C1CN(CCO1)[*:1] CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](c2ccccc2)[*:1])c(Cl)cc1Cl
CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c(Cl)cc1Cl c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](N2CCOCC2)[*:1])c(Cl)cc1Cl
CCNC(=O)c1csc(NC(=O)Nc2ccc(OCC)cc2)n1 CCO[*:1] CCNC(=O)c1csc(n1)NC(=O)Nc1ccc(cc1)[*:1]
CCNC(=O)c1csc(NC(=O)Nc2ccc(OCC)cc2)n1 CCNC(=O)[*:1] CCOc1ccc(cc1)NC(=O)Nc1nc(cs1)[*:1]
CCO[C@H]1C[C@H](NC(=O)NCc2nnc3n2CCC3)C12CCC2 CCO[*:1] O=C(NCc1nnc2CCCn21)N[C@H]1C[C@@H](C12CCC2)[*:1]
CNc1nnc(SCc2ccc(-c3ccccc3C#N)cc2)s1 CNc1nnc(s1)[*:1] N#Cc1ccccc1-c1ccc(cc1)CS[*:1]
C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(OCC#N)c1 N#CC[*:1] C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(c1)O[*:1]
C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(OCC#N)c1 N#CCO[*:1] C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1cccc(c1)[*:1]
O[C@@](/C=C/c1ccccc1)(c1cccs1)C(F)(F)F c1ccc(cc1)[*:1] O[C@@](C=C[*:1])(c1cccs1)C(F)(F)F
O[C@@](/C=C/c1ccccc1)(c1cccs1)C(F)(F)F c1csc(c1)[*:1] O[C@@](/C=C/c1ccccc1)(C(F)(F)F)[*:1]
O[C@@](/C=C/c1ccccc1)(c1cccs1)C(F)(F)F FC(F)(F)[*:1] O[C@@](/C=C/c1ccccc1)(c1cccs1)[*:1]
CN(C(=O)C[C@H](O)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 O[C@@H](C[*:1])c1ccccc1 CN(C(=O)[*:1])[C@H](c1ccccc1)c1ccc(F)cc1
CN(C(=O)C[C@H](O)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CN(C(=O)C[C@H](O)[*:1])[C@H](c1ccccc1)c1ccc(F)cc1
CN(C(=O)C[C@H](O)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 O[C@H](c1ccccc1)[*:1] CN(C(=O)C[*:1])[C@H](c1ccccc1)c1ccc(F)cc1
CN(C(=O)C[C@H](O)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)C[C@H](O)c1ccccc1)[C@H](c1ccccc1)[*:1]
CN(C(=O)C[C@H](O)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CN(C(=O)C[C@H](O)c1ccccc1)[C@H](c1ccc(F)cc1)[*:1]
Cc1cccc(CC(=O)N2CCN(c3nnc(SCC(N)=O)s3)CC2)c1 NC(=O)[*:1] Cc1cccc(c1)CC(=O)N1CCN(CC1)c1nnc(SC[*:1])s1
Cc1cccc(CC(=O)N2CCN(c3nnc(SCC(N)=O)s3)CC2)c1 NC(=O)C[*:1] Cc1cccc(c1)CC(=O)N1CCN(CC1)c1nnc(S[*:1])s1
Cc1cccc(CC(=O)N2CCN(c3nnc(SCC(N)=O)s3)CC2)c1 Cc1cccc(c1)C[*:1] NC(=O)CSc1nnc(s1)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(CC(=O)N2CCN(c3nnc(SCC(N)=O)s3)CC2)c1 NC(=O)CS[*:1] Cc1cccc(c1)CC(=O)N1CCN(CC1)c1nnc(s1)[*:1]
Cc1cccc(CC(=O)N2CCN(c3nnc(SCC(N)=O)s3)CC2)c1 Cc1cccc(c1)[*:1] NC(=O)CSc1nnc(s1)N1CCN(CC1)C(=O)C[*:1]
C[C@H](CC[NH3+])CCC(=O)N1CCO[C@H](C#N)C1 [NH3+]CC[*:1] C[C@H](CCC(=O)N1CCO[C@H](C#N)C1)[*:1]
COc1cc2c(cc1OC)C1=C(C#N)C[NH+](CC(=O)[O-])CN1CC2 O=C([O-])[*:1] COc1cc2CCN3C[NH+](CC(C#N)=C3c2cc1OC)C[*:1]
COc1ccc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC Clc1cccc(c1)[*:1] COc1ccc(c(OC)c1OC)[C@@H]1CC(=O)N(C2CC(C)(C)CC(=O)C=21)[*:1]
C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccncn1 c1cc(ncn1)[*:1] C[NH2+][C@@H](C[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
Cc1c(C(=O)N2CC[C@@H](C(N)=O)C2)sc2ccc(F)cc12 NC(=O)[*:1] Cc1c(sc2ccc(F)cc12)C(=O)N1CC[C@@H](C1)[*:1]
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)C[NH+]2CCC(O)CC2)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(NC(=O)C[NH+]2CCC(O)CC2)n(n1)[*:1]
COc1ccc(-c2nnc(SCC(=O)N(C)C3(C#N)CCC3)o2)cc1 N#CC1(CCC1)[*:1] COc1ccc(cc1)-c1nnc(o1)SCC(=O)N(C)[*:1]
COc1ccc(-c2nnc(SCC(=O)N(C)C3(C#N)CCC3)o2)cc1 COc1ccc(cc1)[*:1] CN(C(=O)CSc1nnc(o1)[*:1])C1(C#N)CCC1
CN1C(=O)[C@](CC(=O)N2CC=CCC2)(Cc2ccccc2)c2ccccc21 c1ccc(cc1)C[*:1] CN1C(=O)[C@](CC(=O)N2CC=CCC2)(c2ccccc21)[*:1]
CN1C(=O)[C@](CC(=O)N2CC=CCC2)(Cc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CN1C(=O)[C@](CC(=O)N2CC=CCC2)(C[*:1])c2ccccc21
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCOCC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@H](C)N2CCOCC2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCOCC2)c1C C1CN(CCO1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[*:1])c1C
CN1C(=O)C[C@H](NC(=O)N[C@H]2[C@@H](CO)[C@H]3CC[C@@H]2C3)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)N[C@H]2[C@@H](CO)[C@H]3CC[C@@H]2C3)[C@H]1[*:1]
NC(=O)C[C@@H]1NC(=O)c2ccccc21 NC(=O)C[*:1] O=C1N[C@H](c2ccccc21)[*:1]
NC(=O)C[C@@H]1NC(=O)c2ccccc21 NC(=O)[*:1] O=C1N[C@@H](C[*:1])c2ccccc21
COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)nc([O-])c32)c1 Cc1ccc(cc1)C[*:1] COc1ccc(OC)c(c1)[C@H]1CC(=O)Nc2nc(nc([O-])c21)S[*:1]
COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)nc([O-])c32)c1 Cc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@H]1CC(=O)Nc2nc(nc([O-])c21)SC[*:1]
COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)nc([O-])c32)c1 Cc1ccc(cc1)CS[*:1] COc1ccc(OC)c(c1)[C@H]1CC(=O)Nc2nc(nc([O-])c21)[*:1]
COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)nc([O-])c32)c1 COc1ccc(OC)c(c1)[*:1] Cc1ccc(cc1)CSc1nc([O-])c2c(n1)NC(=O)C[C@@H]2[*:1]
CC(C)Cc1ccc(CC(=O)NNC(=O)NCC(F)(F)F)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)C[*:1])NNC(=O)NCC(F)(F)F
CC(C)Cc1ccc(CC(=O)NNC(=O)NCC(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)Cc1ccc(cc1)CC(=O)NNC(=O)NC[*:1]
CC(C)Cc1ccc(CC(=O)NNC(=O)NCC(F)(F)F)cc1 FC(F)(F)C[*:1] CC(C)Cc1ccc(cc1)CC(=O)NNC(=O)N[*:1]
CC(C)Cc1ccc(CC(=O)NNC(=O)NCC(F)(F)F)cc1 CC(C)C[*:1] O=C(Cc1ccc(cc1)[*:1])NNC(=O)NCC(F)(F)F
NC(=O)COc1c(-c2ccco2)oc2ccccc2c1=O NC(=O)C[*:1] O=c1c(O[*:1])c(oc2ccccc12)-c1ccco1
NC(=O)COc1c(-c2ccco2)oc2ccccc2c1=O NC(=O)CO[*:1] O=c1c(c(oc2ccccc12)-c1ccco1)[*:1]
NC(=O)COc1c(-c2ccco2)oc2ccccc2c1=O NC(=O)[*:1] O=c1c(OC[*:1])c(oc2ccccc12)-c1ccco1
NC(=O)COc1c(-c2ccco2)oc2ccccc2c1=O c1coc(c1)[*:1] NC(=O)COc1c(oc2ccccc2c1=O)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)Cc2csc(N3CCCC3=O)n2)C1 O=C1CCCN1[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Cc1csc(n1)[*:1]
CCc1nc2n(n1)CCC[C@H]2N[C@H](C)C(=O)NCc1ccccc1F Fc1ccccc1[*:1] CCc1nc2[C@@H](CCCn2n1)N[C@H](C)C(=O)NC[*:1]
CCc1nc2n(n1)CCC[C@H]2N[C@H](C)C(=O)NCc1ccccc1F Fc1ccccc1C[*:1] CCc1nc2[C@@H](CCCn2n1)N[C@H](C)C(=O)N[*:1]
CCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 CCCCNC(=O)[*:1] Nc1c(c2nc3ccccc3nc2n1Cc1ccc2OCOc2c1)[*:1]
CCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 c1cc2OCOc2cc1C[*:1] CCCCNC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
CCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 CCC[*:1] Nc1c(C(=O)NC[*:1])c2nc3ccccc3nc2n1Cc1ccc2OCOc2c1
CCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 CCCC[*:1] Nc1c(C(=O)N[*:1])c2nc3ccccc3nc2n1Cc1ccc2OCOc2c1
CCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 c1cc2OCOc2cc1[*:1] CCCCNC(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
OC1(C#CI)CCCCC1 IC#C[*:1] OC1(CCCCC1)[*:1]
CC(C)[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] CC(C)[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)N[C@@H](C(=O)[O-])[*:1]
CC(C)[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)[*:1]
COC(=O)C1=C(C)[C@H](c2ccc(OC)cc2)NC(=O)N1 COC(=O)[*:1] COc1ccc(cc1)[C@@H]1NC(=O)NC(=C1C)[*:1]
C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 FC(F)(F)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)O[*:1])c1ccc(cc1)-n1cncn1
C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 FC(F)(F)O[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc(cc1)-n1cncn1
C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)OC(F)(F)F)c1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)[S@@](=O)Cc1cccc(Br)c1C CC[C@@H](C)[*:1] Cc1c(Br)cccc1C[S@](=O)[C@H](C)C(=O)N[*:1]
O=C(Nc1ccc(OCc2cn3ccccc3n2)cc1)[C@H]1C[C@H]2CC[C@@H]1O2 c1ccn2cc(nc2c1)[*:1] O=C(Nc1ccc(cc1)OC[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
O=C(C[C@H]1S/C(=N/c2cccc3ccccc23)NC1=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(C[C@H]1S/C(=N/c2cccc3ccccc23)NC1=O)Nc1cccc(c1)[*:1]
O=C(C[C@H]1S/C(=N/c2cccc3ccccc23)NC1=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(C[C@H]1S/C(=N/c2cccc3ccccc23)NC1=O)N[*:1]
O=C(C[C@H]1S/C(=N/c2cccc3ccccc23)NC1=O)Nc1cccc(C(F)(F)F)c1 c1ccc2c(cccc2c1)[*:1] O=C(C[C@H]1SC(=N[*:1])NC1=O)Nc1cccc(c1)C(F)(F)F
CCC(CC)Oc1ccccc1CC[NH3+] [NH3+]CC[*:1] CCC(CC)Oc1ccccc1[*:1]
CCC(CC)Oc1ccccc1CC[NH3+] CCC(CC)[*:1] [NH3+]CCc1ccccc1O[*:1]
Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2[nH]1 O=S(=O)(N1CCCC1)[*:1] Cc1cc2cc(ccc2[nH]1)CNC(=O)c1ccc(cc1)[*:1]
CC[C@]1(c2ccc(NC(=O)C3(C#N)CCCC3)cc2)CCC(=O)NC1=O N#CC1(CCCC1)[*:1] CC[C@@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CO)c1cnn(C)c1 Cn1cc(cn1)[*:1] COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CO)[*:1]
COCCn1c(SCc2c(C)nc3ccccn23)[nH+]c(C)c1C COCC[*:1] Cc1nc2ccccn2c1CSc1[nH+]c(C)c(C)n1[*:1]
COCCn1c(SCc2c(C)nc3ccccn23)[nH+]c(C)c1C COC[*:1] Cc1nc2ccccn2c1CSc1[nH+]c(C)c(C)n1C[*:1]
Cc1ccccc1OCCN(C)S(=O)(=O)N1CCOCC1 Cc1ccccc1[*:1] CN(CCO[*:1])S(=O)(=O)N1CCOCC1
CCc1ccc(-c2noc(CN(C)c3c(C)noc3C)n2)cc1 Cc1noc(C)c1[*:1] CCc1ccc(cc1)-c1noc(CN(C)[*:1])n1
O=[N+]([O-])c1ccsc1Sc1cccs1 O=[N+]([O-])[*:1] c1csc(c1)Sc1sccc1[*:1]
CC1(C)Cc2c(sc3[nH]c(SCC[NH3+])nc(=O)c23)CO1 [NH3+]CC[*:1] CC1(C)Cc2c(CO1)sc1[nH]c(nc(=O)c21)S[*:1]
CC1(C)Cc2c(sc3[nH]c(SCC[NH3+])nc(=O)c23)CO1 [NH3+]CCS[*:1] CC1(C)Cc2c(CO1)sc1[nH]c(nc(=O)c21)[*:1]
COc1cccc([C@H](CNC(=O)Nc2cccc(C(=O)N(C)C)c2)[NH+](C)C)c1 CN(C)C(=O)[*:1] COc1cccc(c1)[C@H](CNC(=O)Nc1cccc(c1)[*:1])[NH+](C)C
COc1cccc([C@H](CNC(=O)Nc2cccc(C(=O)N(C)C)c2)[NH+](C)C)c1 COc1cccc(c1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC(=O)C12CCCC2 O=[N+]([O-])[*:1] Cc1cc(Br)cc(c1O[C@@H]1CC(=O)C12CCCC2)[*:1]
N/C(Cn1cccn1)=N\OCc1ccc(C(=O)Nc2ccccc2)cc1 c1cnn(c1)[*:1] N/C(C[*:1])=N\OCc1ccc(cc1)C(=O)Nc1ccccc1
N/C(Cn1cccn1)=N\OCc1ccc(C(=O)Nc2ccccc2)cc1 c1cnn(c1)C[*:1] N/C(=N\OCc1ccc(cc1)C(=O)Nc1ccccc1)[*:1]
N/C(Cn1cccn1)=N\OCc1ccc(C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] N/C(Cn1cccn1)=N\OCc1ccc(cc1)C(=O)N[*:1]
CC[C@@H](CCO)C[NH2+][C@@H]1CCc2cc(N)ccc21 OCC[*:1] CC[C@@H](C[NH2+][C@@H]1CCc2cc(N)ccc21)[*:1]
CC[C@@H](CCO)C[NH2+][C@@H]1CCc2cc(N)ccc21 CC[C@@H](CCO)[*:1] Nc1ccc2c(c1)CC[C@H]2[NH2+]C[*:1]
CNC(=O)c1cccc(N[C@H](C)Cc2ccc(C)s2)n1 Cc1ccc(s1)[*:1] CNC(=O)c1cccc(n1)N[C@H](C)C[*:1]
CNC(=O)c1cccc(N[C@H](C)Cc2ccc(C)s2)n1 CNC(=O)[*:1] Cc1ccc(C[C@@H](C)Nc2cccc(n2)[*:1])s1
COc1ccc([C@@H]2c3ccc(O)cc3Oc3nc[n+](CCCN4CCOCC4)c(N)c32)cc1 C1CN(CCO1)CC[*:1] COc1ccc(cc1)[C@@H]1c2ccc(O)cc2Oc2nc[n+](C[*:1])c(N)c21
COc1ccc([C@@H]2c3ccc(O)cc3Oc3nc[n+](CCCN4CCOCC4)c(N)c32)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H]1c2ccc(O)cc2Oc2nc[n+](CCC[*:1])c(N)c21
COc1ccc([C@@H]2c3ccc(O)cc3Oc3nc[n+](CCCN4CCOCC4)c(N)c32)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)[C@@H]1c2ccc(O)cc2Oc2nc[n+](CC[*:1])c(N)c21
COc1ccc([C@@H]2c3ccc(O)cc3Oc3nc[n+](CCCN4CCOCC4)c(N)c32)cc1 C(CN1CCOCC1)C[*:1] COc1ccc(cc1)[C@@H]1c2ccc(O)cc2Oc2nc[n+](c(N)c21)[*:1]
COc1ccc([C@@H]2c3ccc(O)cc3Oc3nc[n+](CCCN4CCOCC4)c(N)c32)cc1 COc1ccc(cc1)[*:1] Nc1c2c(nc[n+]1CCCN1CCOCC1)Oc1cc(O)ccc1[C@H]2[*:1]
CCNC(=O)[C@@H](C)NC(=O)c1cc(C)nc2ccc(C)cc12 CCNC(=O)[C@@H](C)[*:1] Cc1ccc2nc(C)cc(C(=O)N[*:1])c2c1
CCNC(=O)[C@@H](C)NC(=O)c1cc(C)nc2ccc(C)cc12 CCNC(=O)[*:1] Cc1ccc2nc(C)cc(C(=O)N[C@H](C)[*:1])c2c1
O=C(Nc1nc2c(s1)CN(C(=O)c1ccncc1)CC2)c1ccccn1 c1ccc(nc1)[*:1] O=C(c1ccncc1)N1CCc2nc(NC(=O)[*:1])sc2C1
O=C(Nc1nc2c(s1)CN(C(=O)c1ccncc1)CC2)c1ccccn1 c1cc(ccn1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])c1ccccn1
Cc1ccccc1OCC(=O)Nc1c(C)cnn1CC1CC1 Cc1ccccc1[*:1] Cc1cnn(CC2CC2)c1NC(=O)CO[*:1]
Cc1ccccc1OCC(=O)Nc1c(C)cnn1CC1CC1 C1CC1[*:1] Cc1ccccc1OCC(=O)Nc1c(C)cnn1C[*:1]
Cc1ccccc1OCC(=O)Nc1c(C)cnn1CC1CC1 C1CC1C[*:1] Cc1ccccc1OCC(=O)Nc1c(C)cnn1[*:1]
CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3ccccc3n2)CC1 Clc1ccc(cc1)[*:1] CCOC(=O)[C@H](N1CCN(CC1)C(=O)c1ccc2ccccc2n1)[*:1]
CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3ccccc3n2)CC1 CCOC(=O)[*:1] O=C(c1ccc2ccccc2n1)N1CCN(CC1)[C@@H](c1ccc(Cl)cc1)[*:1]
CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3ccccc3n2)CC1 c1ccc2nc(ccc2c1)[*:1] CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
C[C@H](NC(=O)CCc1cc(Cl)cs1)C(=O)N1CCCC[C@H]1C Clc1csc(c1)C[*:1] C[C@H](NC(=O)C[*:1])C(=O)N1CCCC[C@H]1C
C[C@H](NC(=O)CCc1cc(Cl)cs1)C(=O)N1CCCC[C@H]1C Clc1csc(c1)[*:1] C[C@H](NC(=O)CC[*:1])C(=O)N1CCCC[C@H]1C
Cc1ccc(C2=NO[C@@H](CSc3nc([O-])cc(-c4ccccc4)n3)N2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C1=NO[C@@H](CSc2nc([O-])cc(n2)[*:1])N1
Cc1ccc(C2=NO[C@@H](CSc3nc([O-])cc(-c4ccccc4)n3)N2)cc1 Cc1ccc(cc1)[*:1] [O-]c1cc(nc(n1)SC[C@H]1NC(=NO1)[*:1])-c1ccccc1
O=C(CNC(=O)c1cccs1)NNC(=O)c1cc2c(s1)CCCCC2 O=C(N[*:1])c1cccs1 O=C(C[*:1])NNC(=O)c1cc2CCCCCc2s1
O=C(CNC(=O)c1cccs1)NNC(=O)c1cc2c(s1)CCCCC2 c1csc(c1)[*:1] O=C(CNC(=O)[*:1])NNC(=O)c1cc2CCCCCc2s1
COc1ncccc1CS[C@@H](C)C(=O)[O-] O=C([O-])[*:1] COc1ncccc1CS[C@@H](C)[*:1]
COc1ccc(CC[NH2+][C@@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc1 COc1ccc(cc1)C[*:1] Cn1nc(C(=O)N2CCCCC2)c2C[C@@H](CCc21)[NH2+]C[*:1]
COc1ccc(CC[NH2+][C@@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc1 COc1ccc(cc1)[*:1] Cn1nc(C(=O)N2CCCCC2)c2C[C@@H](CCc21)[NH2+]CC[*:1]
COc1ccc(CC[NH2+][C@@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc1 O=C(N1CCCCC1)[*:1] COc1ccc(cc1)CC[NH2+][C@@H]1CCc2c(C1)c(nn2C)[*:1]
Cc1cc(OCC(=O)Nc2ccc3c(c2)NC(=O)CO3)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCC(=O)Nc1ccc2OCC(=O)Nc2c1
C[C@@H]1CN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C[C@@H](C)O1 Fc1ccccc1[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1cc2ccccc2n1C[*:1]
C[C@@H]1CN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C[C@@H](C)O1 Fc1ccccc1C[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1cc2ccccc2n1[*:1]
CCN(CC)c1ncc(CN2CCO[C@@H]3CCCC[C@@H]32)s1 CCN(CC)[*:1] c1nc(sc1CN1CCO[C@@H]2CCCC[C@@H]21)[*:1]
Cc1ccc(-c2ccc(/C=N/NOC(=O)Cc3nnc(N)s3)o2)cc1Cl Cc1ccc(cc1Cl)[*:1] Nc1nnc(CC(=O)ON/N=C/c2ccc(o2)[*:1])s1
Cc1ccc(-c2ccc(/C=N/NOC(=O)Cc3nnc(N)s3)o2)cc1Cl Nc1nnc(C[*:1])s1 Cc1ccc(cc1Cl)-c1ccc(/C=N/NOC(=O)[*:1])o1
Cc1ccc(-c2ccc(/C=N/NOC(=O)Cc3nnc(N)s3)o2)cc1Cl Nc1nnc(s1)[*:1] Cc1ccc(cc1Cl)-c1ccc(/C=N/NOC(=O)C[*:1])o1
COc1cc(Br)c(NC(=O)NC[C@H](O)c2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1cc(Br)c(cc1OC)NC(=O)NC[C@H](O)[*:1]
Cc1cccc(C)c1O[C@H](C)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(C)c1O[C@H](C)C(=O)Nc1cccc(c1)C(=O)NC[*:1]
Cc1cccc(C)c1O[C@H](C)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(C)c1O[C@H](C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1cccc(C)c1O[C@H](C)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 O=C(NCc1ccccc1)[*:1] Cc1cccc(C)c1O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1cccc(C)c1O[C@H](C)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 Cc1cccc(C)c1O[*:1] C[C@H](C(=O)Nc1cccc(c1)C(=O)NCc1ccccc1)[*:1]
Cc1cccc(C)c1O[C@H](C)C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 Cc1cccc(C)c1[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)C(=O)NCc1ccccc1
Cc1cc(=O)c(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c[nH]1 Clc1ccc(cc1)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)N[C@@H]1CCN(C)[C@H]1[*:1]
Cc1cc(=O)c(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] CN1CC[C@@H](NC(=O)[*:1])[C@H]1c1ccc(Cl)cc1
CCC(CC)C(=O)Cc1cccc(F)c1F CCC(CC)[*:1] O=C(Cc1cccc(F)c1F)[*:1]
Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NC(=S)NNC(=O)[*:1]
Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(O)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NNC(=S)NC(=O)[*:1])c1ccc(O)cc1
CC[C@@H](C)N(C)C(=O)CC1CC[NH2+]CC1 CC[C@@H](C)[*:1] CN(C(=O)CC1CC[NH2+]CC1)[*:1]
CCOc1ccc(/C=N/NC2=NC(=O)CS2)cc1OC CCO[*:1] COc1cc(/C=N/NC2=NC(=O)CS2)ccc1[*:1]
CC[C@@H](NC(=O)N1CCN(Cc2cc(C)on2)CC1)c1ccc(OC)cc1 Cc1cc(C[*:1])no1 CC[C@@H](NC(=O)N1CCN(CC1)[*:1])c1ccc(cc1)OC
CC[C@@H](NC(=O)N1CCN(Cc2cc(C)on2)CC1)c1ccc(OC)cc1 Cc1cc(no1)[*:1] CC[C@@H](NC(=O)N1CCN(CC1)C[*:1])c1ccc(cc1)OC
CC[C@@H](NC(=O)N1CCN(Cc2cc(C)on2)CC1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H](NC(=O)N1CCN(CC1)Cc1cc(C)on1)[*:1]
Cc1nc(C)c(C#N)c(SCc2cccc(CSc3nc(C)nc(C)c3C#N)c2)n1 Cc1nc(C)c(C#N)c(n1)[*:1] Cc1nc(C)c(C#N)c(n1)SCc1cccc(c1)CS[*:1]
Cc1cccc(CN(C2CC2)S(=O)(=O)c2ccc(CC#N)cc2)c1 Cc1cccc(c1)[*:1] N#CCc1ccc(cc1)S(=O)(=O)N(C[*:1])C1CC1
Cc1cccc(CN(C2CC2)S(=O)(=O)c2ccc(CC#N)cc2)c1 C1CC1[*:1] Cc1cccc(c1)CN(S(=O)(=O)c1ccc(cc1)CC#N)[*:1]
Cc1cccc(CN(C2CC2)S(=O)(=O)c2ccc(CC#N)cc2)c1 N#CC[*:1] Cc1cccc(c1)CN(C1CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1cccc(CN(C2CC2)S(=O)(=O)c2ccc(CC#N)cc2)c1 Cc1cccc(c1)C[*:1] N#CCc1ccc(cc1)S(=O)(=O)N(C1CC1)[*:1]
C[C@@H](C[NH2+]C1CC1)CN1C(=O)C(=O)c2cccc(F)c21 C1CC1[*:1] C[C@@H](C[NH2+][*:1])CN1C(=O)C(=O)c2cccc(F)c21
CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(F)c(C(N)=O)c1 NC(=O)[*:1] CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(F)c(c1)[*:1]
CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(F)c(C(N)=O)c1 C1CCC(CC1)[*:1] CC[C@@H](C[*:1])C(=O)Nc1ccc(F)c(c1)C(N)=O
CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(F)c(C(N)=O)c1 C1CCC(CC1)C[*:1] CC[C@@H](C(=O)Nc1ccc(F)c(c1)C(N)=O)[*:1]
CCCCN(CC)Cc1cc(NC)cc[nH+]1 CCC[*:1] CCN(Cc1cc(cc[nH+]1)NC)C[*:1]
CCCCN(CC)Cc1cc(NC)cc[nH+]1 CCCC[*:1] CCN(Cc1cc(cc[nH+]1)NC)[*:1]
Cc1ccc(-c2nnn(CC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1 Cc1ccc(cc1)[*:1] N#Cc1c(NC(=O)Cn2nnc(n2)[*:1])sc2CCCc21
COc1ccc(N)c(SCc2noc(C3CC3)n2)c1 C1CC1[*:1] COc1ccc(N)c(c1)SCc1noc(n1)[*:1]
O=C1COc2ccc(NC(=O)c3ccc(Cl)s3)cc2N1 Clc1ccc(s1)[*:1] O=C1COc2ccc(cc2N1)NC(=O)[*:1]
Cc1cccn2nc(N3CC[NH2+]C[C@H]3C(=O)N(C)C)nc12 CN(C)C(=O)[*:1] Cc1cccn2nc(nc12)N1CC[NH2+]C[C@@H]1[*:1]
C[C@H](C(=O)NCc1ccccc1)[S@@](=O)Cc1ccccc1Cl c1ccc(cc1)[*:1] C[C@H](C(=O)NC[*:1])[S@@](=O)Cc1ccccc1Cl
C[C@H](C(=O)NCc1ccccc1)[S@@](=O)Cc1ccccc1Cl Clc1ccccc1[*:1] C[C@H](C(=O)NCc1ccccc1)[S@@](=O)C[*:1]
C[C@H](C(=O)NCc1ccccc1)[S@@](=O)Cc1ccccc1Cl c1ccc(cc1)C[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1ccccc1Cl
Cc1c([C@@H]2CCCN2Cc2c(F)cccc2Br)cnn1C Cc1c(cnn1C)[*:1] Fc1cccc(Br)c1CN1CCC[C@H]1[*:1]
Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1cccc(Br)c1
Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1 Brc1cccc(c1)[*:1] Cn1c(nnc1-c1cc2ccccc2o1)SCC(=O)N[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(-n3ccc(C)n3)cc2)c1 Cc1ccn(n1)[*:1] Cc1cnn(c1)C[C@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(-n3ccc(C)n3)cc2)c1 Cc1cnn(c1)[*:1] Cc1ccn(n1)-c1ccc(cc1)C(=O)N1CCC[C@@H]1C[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(-n3ccc(C)n3)cc2)c1 Cc1cnn(c1)C[*:1] Cc1ccn(n1)-c1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1 CC(=O)N[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)C(=O)Nc1cc(ccc1F)[*:1]
COc1ccccc1/C(C)=C/C(=O)N(C)Cc1c(C)noc1C Cc1noc(C)c1[*:1] COc1ccccc1/C(C)=C/C(=O)N(C)C[*:1]
Cc1noc(C)c1CC(=O)NCc1ccc(NC(N)=O)cc1 NC(=O)N[*:1] Cc1noc(C)c1CC(=O)NCc1ccc(cc1)[*:1]
Cc1noc(C)c1CC(=O)NCc1ccc(NC(N)=O)cc1 Cc1noc(C)c1[*:1] NC(=O)Nc1ccc(cc1)CNC(=O)C[*:1]
CCOc1ccc2ccccc2c1C(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 CCO[*:1] O=C(c1c(ccc2ccccc12)[*:1])N1CCCSC[C@H]1C[NH+]1CCCCC1
CC[C@@H](Nc1ccccc1)C(=O)N1CCC2=C(CN=N2)C1 c1ccc(cc1)[*:1] CC[C@@H](N[*:1])C(=O)N1CCC2N=NCC=2C1
CC[C@@H](Nc1ccccc1)C(=O)N1CCC2=C(CN=N2)C1 c1ccc(cc1)N[*:1] CC[C@@H](C(=O)N1CCC2N=NCC=2C1)[*:1]
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(Br)s1 NS(=O)(=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)c1ccc(Br)s1
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@H](c1ccc(cc1)S(N)(=O)=O)N(C)C(=O)[*:1]
[NH3+][C@@H](CCCC(=O)[O-])c1cnc2[nH]ccc2c1 O=C([O-])[*:1] [NH3+][C@@H](CCC[*:1])c1cnc2[nH]ccc2c1
[NH3+][C@@H](CCCC(=O)[O-])c1cnc2[nH]ccc2c1 O=C([O-])C[*:1] [NH3+][C@@H](CC[*:1])c1cnc2[nH]ccc2c1
[NH3+][C@@H](CCCC(=O)[O-])c1cnc2[nH]ccc2c1 O=C([O-])CC[*:1] [NH3+][C@@H](C[*:1])c1cnc2[nH]ccc2c1
CCN1CC(=O)Nc2cc(C(=O)N[C@@H](C)Cc3cccc(F)c3)ccc21 Fc1cccc(c1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[C@@H](C)C[*:1]
CCN1CC(=O)Nc2cc(C(=O)N[C@@H](C)Cc3cccc(F)c3)ccc21 Fc1cccc(c1)C[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[C@@H](C)[*:1]
O=C(NCC(F)(F)F)c1cnc(Cc2ccccc2)s1 FC(F)(F)[*:1] O=C(NC[*:1])c1cnc(Cc2ccccc2)s1
O=C(NCC(F)(F)F)c1cnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(NCC(F)(F)F)c1cnc(C[*:1])s1
O=C(NCC(F)(F)F)c1cnc(Cc2ccccc2)s1 FC(F)(F)C[*:1] O=C(N[*:1])c1cnc(Cc2ccccc2)s1
O=C(NC[C@H](c1ccccc1)N1CCOCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 c1ccc(cc1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])C1CCC(=O)N(N=1)[C@H]1CCS(=O)(=O)C1
O=C(NC[C@H](c1ccccc1)N1CCOCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 C1CN(CCO1)[*:1] O=C(NC[C@H](c1ccccc1)[*:1])C1CCC(=O)N(N=1)[C@H]1CCS(=O)(=O)C1
N#C/C(=C\c1cccnc1)C1[NH+]=c2ccccc2=[NH+]1 c1cncc(c1)[*:1] N#CC(=C[*:1])C1[NH+]=c2ccccc2=[NH+]1
CC[NH+]1CCN(c2ccc(C(=O)N(CC[NH+](C)C)c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1)C(=O)N(CC[NH+](C)C)[*:1]
CCC(CC)N(CCOC)c1cccc(F)c1C#N COC[*:1] CCC(CC)N(C[*:1])c1cccc(F)c1C#N
CCC(CC)N(CCOC)c1cccc(F)c1C#N CCC(CC)[*:1] COCCN(c1cccc(F)c1C#N)[*:1]
CCC(CC)N(CCOC)c1cccc(F)c1C#N COCC[*:1] CCC(CC)N(c1cccc(F)c1C#N)[*:1]
CC(C)([C@H](N)CCS(C)(=O)=O)[NH+]1CCCCC1 CS(=O)(=O)C[*:1] CC(C)([C@H](N)C[*:1])[NH+]1CCCCC1
CC(C)([C@H](N)CCS(C)(=O)=O)[NH+]1CCCCC1 CS(=O)(=O)[*:1] CC(C)([C@H](N)CC[*:1])[NH+]1CCCCC1
CC(C)[C@H](C#N)N1CCN(C(=O)c2cccn2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)[C@H](C#N)N1CCN(CC1)C(=O)c1cccn1[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)c2cccn2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@H](C#N)N1CCN(CC1)C(=O)c1cccn1C[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)c2cccn2Cc2ccccc2)CC1 CC(C)[*:1] N#C[C@H](N1CCN(CC1)C(=O)c1cccn1Cc1ccccc1)[*:1]
O=C(c1cccnc1)N1CCc2nc(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)[nH]c(=O)c2C1 c1cncc(c1)[*:1] O=C([C@@H]1CC=CCC1)N1CCC(CC1)c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ncccn1 Clc1ccc(cc1)[*:1] O=C1C[C@@H](C[*:1])C(=O)N1c1ncccn1
O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ncccn1 c1cnc(nc1)[*:1] O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1[*:1]
CC(C)CCNC(=O)CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O CC(C)CC[*:1] O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)N[*:1]
CC(C)CCNC(=O)CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O CC(C)CCNC(=O)[*:1] O=C1[C@H](CC[*:1])N=C2c3ccccc3NC(=S)N12
CC(C)CCNC(=O)CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O CC(C)C[*:1] O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NC[*:1]
CC(C)CCNC(=O)CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O CC(C)[*:1] O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCC[*:1]
Cc1ccc(NC(=O)CSc2ccc(-c3ccccc3)nn2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CSc1ccc(nn1)[*:1]
Cc1ccc(NC(=O)CSc2ccc(-c3ccccc3)nn2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1ccc(nn1)-c1ccccc1)N[*:1]
Cc1nccc(C2CN(S(=O)(=O)c3cn(C)cn3)C2)n1 Cn1cnc(c1)[*:1] Cc1nccc(n1)C1CN(C1)S(=O)(=O)[*:1]
CCNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N CCN[*:1] Nc1c(ncnc1[*:1])Nc1cc(Cl)cc(Cl)c1
CCCNC(=O)Nc1ccc(-c2noc(-c3ccsc3)n2)cc1 CCCNC(=O)N[*:1] c1cc(cs1)-c1nc(no1)-c1ccc(cc1)[*:1]
CCCNC(=O)Nc1ccc(-c2noc(-c3ccsc3)n2)cc1 c1cc(cs1)[*:1] CCCNC(=O)Nc1ccc(cc1)-c1noc(n1)[*:1]
CCCNC(=O)Nc1ccc(-c2noc(-c3ccsc3)n2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)-c1noc(n1)-c1ccsc1)N[*:1]
COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCc2ccccc21 COc1ccccc1[*:1] C[C@H]([NH2+][C@H](C)C[*:1])C(=O)N1CCc2ccccc21
c1ccc(-c2noc(CCCn3cc[nH+]c3)n2)cc1 c1ccc(cc1)[*:1] c1cn(c[nH+]1)CCCc1nc(no1)[*:1]
C=C(C)CN(CC)C(=O)CS(=O)(=O)c1ccc(O)cc1 C=C(C)C[*:1] CCN(C(=O)CS(=O)(=O)c1ccc(O)cc1)[*:1]
C=C(C)CN(CC)C(=O)CS(=O)(=O)c1ccc(O)cc1 C=C(C)[*:1] CCN(C[*:1])C(=O)CS(=O)(=O)c1ccc(O)cc1
Cc1nc(NC(=O)c2sc3cccc(F)c3c2Cl)sc1C Cc1nc(sc1C)[*:1] O=C(N[*:1])c1sc2cccc(F)c2c1Cl
COCC(=O)Nc1nc(-c2cccs2)cs1 COC[*:1] O=C(Nc1nc(cs1)-c1cccs1)[*:1]
COCC(=O)Nc1nc(-c2cccs2)cs1 c1csc(c1)[*:1] COCC(=O)Nc1nc(cs1)[*:1]
c1ccc(-c2nc(C[NH2+]C[C@H]3CCCN(c4ncccn4)C3)cs2)nc1 c1cnc(nc1)[*:1] c1ccc(nc1)-c1nc(cs1)C[NH2+]C[C@H]1CCCN(C1)[*:1]
c1ccc(-c2nc(C[NH2+]C[C@H]3CCCN(c4ncccn4)C3)cs2)nc1 c1ccc(nc1)[*:1] c1cnc(nc1)N1CCC[C@H](C[NH2+]Cc2csc(n2)[*:1])C1
CCN[C@@]1(C#N)CCC[C@H](Oc2cccc(OC)c2)C1 CCN[*:1] COc1cccc(c1)O[C@H]1CCC[C@](C#N)(C1)[*:1]
Cc1cc(NC(=O)C[C@@H](C)[NH2+][C@H](CO)c2cc(F)c(F)c(F)c2)no1 Cc1cc(no1)[*:1] C[C@H](CC(=O)N[*:1])[NH2+][C@H](CO)c1cc(F)c(F)c(F)c1
Cc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)N4CCOCC4)cc3s2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc2nc(NS(=O)(=O)[*:1])sc2c1)N1CCOCC1
Cc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)N4CCOCC4)cc3s2)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccc(cc2s1)[*:1]
C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] C[C@H](Sc1ccc(cn1)C(F)(F)F)C(=O)Nc1cccc(c1)[*:1]
C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 FC(F)(F)[*:1] C[C@H](Sc1ccc(cn1)[*:1])C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C
Cc1noc(C)c1COc1ccc(F)c2c1C(=O)C[C@H]2C Cc1noc(C)c1[*:1] C[C@@H]1CC(=O)c2c(ccc(F)c21)OC[*:1]
O=C(C[NH+]1CCCN(CC(F)F)CC1)Nc1cc(Cl)ccc1Cl FC(F)C[*:1] O=C(C[NH+]1CCCN(CC1)[*:1])Nc1cc(Cl)ccc1Cl
O=C(C[NH+]1CCCN(CC(F)F)CC1)Nc1cc(Cl)ccc1Cl FC(F)[*:1] O=C(C[NH+]1CCCN(CC1)C[*:1])Nc1cc(Cl)ccc1Cl
Cc1ccc(C(N)=O)cc1NCc1cccc2cn[nH]c12 NC(=O)[*:1] Cc1ccc(cc1NCc1cccc2cn[nH]c12)[*:1]
CC(C)(CNC(=O)C(=O)c1cnn(-c2ccccc2)c1)[NH+]1CCCCC1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)C(=O)c1cnn(c1)[*:1])[NH+]1CCCCC1
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(C3CC3)[C@@H](C)c3ccco3)c12 c1coc(c1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(C3CC3)[C@@H](C)[*:1])c12)C1CC1
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(C3CC3)[C@@H](C)c3ccco3)c12 C1CC1[*:1] Cc1nn(C)c2nc(cc(C(=O)N(C3CC3)[C@@H](C)c3ccco3)c12)[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(C3CC3)[C@@H](C)c3ccco3)c12 C1CC1[*:1] Cc1nn(C)c2nc(cc(C(=O)N([C@@H](C)c3ccco3)[*:1])c12)C1CC1
COc1ccc([C@H]([NH2+]CCC2CCN(C(C)=O)CC2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(=O)N1CCC(CC[NH2+][C@H](C(C)C)[*:1])CC1
COc1ccc([C@H]([NH2+]CCC2CCN(C(C)=O)CC2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H]([NH2+]CCC1CCN(CC1)C(C)=O)[*:1]
Cn1c(=O)c2cn(S(=O)(=O)c3ccccc3)nc2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2cn(nc2n(C)c1=O)S(=O)(=O)[*:1]
CCc1ccc(C(=O)N(C)[C@@H](C)C2CC2)o1 C1CC1[*:1] CCc1ccc(o1)C(=O)N(C)[C@@H](C)[*:1]
CCc1ccc(C(=O)N(C)[C@@H](C)C2CC2)o1 C[C@@H](C1CC1)[*:1] CCc1ccc(o1)C(=O)N(C)[*:1]
C[C@H]([NH2+]C[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC1CCCCC1 c1ccc2c(c[nH]c2c1)[*:1] C[C@H]([NH2+]C[C@H](c1ccccc1)[*:1])C(=O)NC1CCCCC1
C[C@H]([NH2+]C[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@H]([NH2+]C[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N[*:1]
C[C@H]([NH2+]C[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] C[C@H]([NH2+]C[C@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
C[C@H]([NH2+]C[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC1CCCCC1 c1ccc(cc1)[*:1] C[C@H]([NH2+]C[C@H](c1c[nH]c2ccccc12)[*:1])C(=O)NC1CCCCC1
O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCCC1 O=[N+]([O-])[*:1] O=Cc1cc(ccc1OCC(=O)N1CCCC1)[*:1]
Cc1cccc(-[n+]2c(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)nc3n[nH]c(C)c3c2N)c1 Cc1cccc(c1)[*:1] Cc1[nH]nc2nc(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)[n+](c(N)c12)[*:1]
O=C(Nc1nc2ccccc2nc1N1CCCC1)C1(c2ccc(Cl)cc2)CC1 C1CCN(C1)[*:1] O=C(Nc1nc2ccccc2nc1[*:1])C1(CC1)c1ccc(Cl)cc1
O=C(Nc1nc2ccccc2nc1N1CCCC1)C1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1nc2ccccc2nc1N1CCCC1)C1(CC1)[*:1]
CCc1sc(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1C CCc1sc(cc1C)[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)C(=O)[*:1])c1C
CCc1sc(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1C Cc1cccc(c1C)[*:1] CCc1sc(cc1C)C(=O)N1CCN(CC1)CC(=O)N[*:1]
C=C[n+]1c(N)n(Cc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] C=C[n+]1c(N)n(C[*:1])c2ccccc21
CN(C)C(=O)C[C@H](C[NH3+])N(C)Cc1cccnc1 c1cncc(c1)[*:1] CN(C)C(=O)C[C@H](C[NH3+])N(C)C[*:1]
CN(C)C(=O)C[C@H](C[NH3+])N(C)Cc1cccnc1 CN(C)C(=O)[*:1] CN(Cc1cccnc1)[C@@H](C[NH3+])C[*:1]
CN(C)C(=O)C[C@H](C[NH3+])N(C)Cc1cccnc1 CN(C)C(=O)C[*:1] CN(Cc1cccnc1)[C@@H](C[NH3+])[*:1]
C[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccccn2)C[C@H](C)O1 c1ccc(nc1)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)CCNC(=O)[*:1]
CC(C)n1cnc2nc(COc3ccccc3NC(=O)c3ccccc3Cl)cc(=O)n21 Clc1ccccc1[*:1] CC(C)n1cnc2nc(cc(=O)n21)COc1ccccc1NC(=O)[*:1]
CC(C)n1cnc2nc(COc3ccccc3NC(=O)c3ccccc3Cl)cc(=O)n21 O=C(N[*:1])c1ccccc1Cl CC(C)n1cnc2nc(cc(=O)n21)COc1ccccc1[*:1]
CC(C)n1cnc2nc(COc3ccccc3NC(=O)c3ccccc3Cl)cc(=O)n21 CC(C)[*:1] O=C(Nc1ccccc1OCc1cc(=O)n2c(ncn2[*:1])n1)c1ccccc1Cl
CC[C@](C)(NC(=O)c1cc(F)ccc1C)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)c1cc(F)ccc1C)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1cnccn1 c1cnc(cn1)[*:1] CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)C[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1cnccn1 c1cnc(cn1)C[*:1] CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1cnccn1 CC(C)[*:1] CN(Cc1cnccn1)C(=O)N[C@H](Cc1ccc(F)cc1)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1cnccn1 Fc1ccc(cc1)C[*:1] CC(C)[C@@H](NC(=O)N(C)Cc1cnccn1)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1cnccn1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](C[*:1])NC(=O)N(C)Cc1cnccn1
CCN(Cc1ccccn1)C(=O)c1ccc(-c2nc(C)no2)cc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)-c1nc(C)no1
CCN(Cc1ccccn1)C(=O)c1ccc(-c2nc(C)no2)cc1 c1ccc(C[*:1])nc1 CCN(C(=O)c1ccc(cc1)-c1nc(C)no1)[*:1]
CCN(Cc1ccccn1)C(=O)c1ccc(-c2nc(C)no2)cc1 Cc1noc(n1)[*:1] CCN(Cc1ccccn1)C(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1cccc(NC(=O)CN2C(=O)CSc3ccccc32)c1 CCOC(=O)[*:1] O=C(CN1C(=O)CSc2ccccc21)Nc1cccc(c1)[*:1]
O=C(c1cc2n(n1)CCCN(Cc1cccc3nsnc13)C2)N1CCCC1 c1cc(c2nsnc2c1)[*:1] O=C(c1cc2CN(CCCn2n1)C[*:1])N1CCCC1
O=C(c1cc2n(n1)CCCN(Cc1cccc3nsnc13)C2)N1CCCC1 O=C(N1CCCC1)[*:1] c1cc(CN2CCCn3nc(cc3C2)[*:1])c2nsnc2c1
Cc1ccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)s1 Cc1ccc(s1)[*:1] O=C(NCc1nc(n[nH]1)-c1ccccc1)[*:1]
Cc1ccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)NCc1nc(n[nH]1)[*:1]
C#CCN1CCN(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 C#CCN1CCN(CC1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[*:1]
C#CCN1CCN(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 C#CC[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCN(CC1)[*:1]
C#CCN1CCN(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 c1ccc(cc1)[*:1] C#CCN1CCN(CC1)CC(=O)NCc1c(C)nn(c1C)[*:1]
CCOc1cccc(CNc2c(C(=O)OC)c(=O)[nH]c3ccc(Cl)cc23)c1 CCOc1cccc(c1)[*:1] COC(=O)c1c(NC[*:1])c2cc(Cl)ccc2[nH]c1=O
CCOc1cccc(CNc2c(C(=O)OC)c(=O)[nH]c3ccc(Cl)cc23)c1 CCO[*:1] COC(=O)c1c(NCc2cccc(c2)[*:1])c2cc(Cl)ccc2[nH]c1=O
CCOc1cccc(CNc2c(C(=O)OC)c(=O)[nH]c3ccc(Cl)cc23)c1 COC(=O)[*:1] CCOc1cccc(c1)CNc1c(c(=O)[nH]c2ccc(Cl)cc12)[*:1]
O=C(CSc1nnc(-c2cccnc2)o1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 c1cncc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1
O=C(CSc1nnc(-c2cccnc2)o1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(CC1)[*:1] O=C(CSc1nnc(o1)-c1cccnc1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)Nc1ccc(cc1)[*:1]
O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)Nc1ccc(cc1)O[*:1]
O=C([O-])C[C@@H]1C=CS(=O)(=O)C1 O=C([O-])[*:1] O=S1(=O)C=C[C@H](C1)C[*:1]
CC(=O)N1CCN(CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC(=O)N1CCN(CCNc2ccc(Cl)cc2[*:1])CC1
CC(C)[C@@H](C)NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 CC(C)[*:1] C[C@@H](NC(=O)CN1CCN(CC1)c1ccc(cc1)S(N)(=O)=O)[*:1]
CC(C)[C@@H](C)NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 NS(=O)(=O)[*:1] CC(C)[C@@H](C)NC(=O)CN1CCN(CC1)c1ccc(cc1)[*:1]
CC(C)[C@@H](C)NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 CC(C)[C@@H](C)NC(=O)[*:1] NS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C[*:1]
O=C([O-])[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 O=C([O-])[*:1] FC(F)(F)c1n[nH]c2CC[C@@H](Cc12)[*:1]
O=C([O-])[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 FC(F)(F)[*:1] O=C([O-])[C@H]1CCc2[nH]nc(c2C1)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1C(=O)Cl O=C(Cl)[*:1] CC(C)[C@H]1CC[C@H](C)C[C@@H]1[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1C(=O)Cl CC(C)[*:1] C[C@H]1CC[C@@H]([C@@H](C1)C(=O)Cl)[*:1]
Cc1ccc(CNC(=O)CCCCn2c(=S)[nH]c3ccsc3c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CCCCn1c(=S)[nH]c2ccsc2c1=O)NC[*:1]
Cc1ccc(CNC(=O)CCCCn2c(=S)[nH]c3ccsc3c2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(CCCCn1c(=S)[nH]c2ccsc2c1=O)N[*:1]
N#Cc1cc(Cl)nc(NNC(=O)/C=C/c2ccco2)c1 c1coc(c1)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)C=C[*:1]
O=C(CN1C(=O)CSc2sc(S(=O)(=O)N3CCCC3)cc21)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN1C(=O)CSc2sc(cc21)S(=O)(=O)N1CCCC1)N[*:1]
O=C(CN1C(=O)CSc2sc(S(=O)(=O)N3CCCC3)cc21)NC1CCCCC1 O=S(=O)(N1CCCC1)[*:1] O=C(CN1C(=O)CSc2sc(cc21)[*:1])NC1CCCCC1
O=C(CN1C(=O)CSc2sc(S(=O)(=O)N3CCCC3)cc21)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C1CSc2sc(cc2N1C[*:1])S(=O)(=O)N1CCCC1
CC(C)(COC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 c1ccc(nc1)[*:1] CC(C)(COC(=O)C1CCN(CC1)C(=O)[*:1])c1ccccc1
CC(C)(COC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(COC(=O)C1CCN(CC1)C(=O)c1ccccn1)[*:1]
CC(C)(COC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 CC(C)(c1ccccc1)[*:1] O=C(OC[*:1])C1CCN(CC1)C(=O)c1ccccn1
CCc1nn(C)c(OC)c1CNC(=O)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)c1ccc(cc1)[*:1]
Cc1ccccc1-c1nc(C(=O)O[C@H]2CC[C@@H](S(C)(=O)=O)C2)cs1 CS(=O)(=O)[*:1] Cc1ccccc1-c1nc(cs1)C(=O)O[C@H]1CC[C@@H](C1)[*:1]
Cc1ccccc1-c1nc(C(=O)O[C@H]2CC[C@@H](S(C)(=O)=O)C2)cs1 Cc1ccccc1[*:1] CS(=O)(=O)[C@@H]1CC[C@@H](C1)OC(=O)c1csc(n1)[*:1]
CN(C(=O)CSC(=S)N1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)CSC(=S)N1CCCCC1)[*:1]
C[C@H](CC1CCCC1)C(=O)Nc1cccc(NC(N)=O)c1 C1CCC(C1)[*:1] C[C@H](C[*:1])C(=O)Nc1cccc(c1)NC(N)=O
C[C@H](CC1CCCC1)C(=O)Nc1cccc(NC(N)=O)c1 NC(=O)N[*:1] C[C@H](CC1CCCC1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](CC1CCCC1)C(=O)Nc1cccc(NC(N)=O)c1 C1CCC(C1)C[*:1] C[C@H](C(=O)Nc1cccc(c1)NC(N)=O)[*:1]
Cc1sc(-c2cccc(O)c2)nc1-c1ccc(F)cc1F Oc1cccc(c1)[*:1] Cc1sc(nc1-c1ccc(F)cc1F)[*:1]
O=C(/C=C/c1ccc(Cl)cc1)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 c1cncc(c1)[*:1] O=C(/C=C/c1ccc(Cl)cc1)Nc1sc2CCCCc2c1C(=O)NC[*:1]
O=C(/C=C/c1ccc(Cl)cc1)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 Clc1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1sc2CCCCc2c1C(=O)NCc1cccnc1
O=C(/C=C/c1ccc(Cl)cc1)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 c1cncc(c1)C[*:1] O=C(/C=C/c1ccc(Cl)cc1)Nc1sc2CCCCc2c1C(=O)N[*:1]
O=C(/C=C/c1ccc(Cl)cc1)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 O=C(NCc1cccnc1)[*:1] O=C(/C=C/c1ccc(Cl)cc1)Nc1sc2CCCCc2c1[*:1]
O=C(/C=C/c1ccc(Cl)cc1)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 Clc1ccc(C=C[*:1])cc1 O=C(NCc1cccnc1)c1c(NC(=O)[*:1])sc2CCCCc21
Cc1ccc(CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)CSc1nc(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
Cc1ccc(CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1cccs1)S[*:1]
Cc1ccc(CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)CS[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1cccs1)[*:1]
Cc1ccc(CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)-c1cccs1)SC[*:1]
NC(=[NH2+])c1c(F)cccc1Oc1ccc2c(c1)CCCC2 NC(=[NH2+])[*:1] Fc1cccc(Oc2ccc3CCCCc3c2)c1[*:1]
Cc1ncsc1CCC(=O)N1CCCO[C@@H](Cn2cccn2)C1 c1cnn(c1)C[*:1] Cc1ncsc1CCC(=O)N1CCCO[C@@H](C1)[*:1]
Cc1ncsc1CCC(=O)N1CCCO[C@@H](Cn2cccn2)C1 c1cnn(c1)[*:1] Cc1ncsc1CCC(=O)N1CCCO[C@H](C1)C[*:1]
Cc1ncsc1CCC(=O)N1CCCO[C@@H](Cn2cccn2)C1 Cc1ncsc1[*:1] O=C(CC[*:1])N1CCCO[C@H](C1)Cn1cccn1
Cc1ncsc1CCC(=O)N1CCCO[C@@H](Cn2cccn2)C1 Cc1ncsc1C[*:1] O=C(C[*:1])N1CCCO[C@H](C1)Cn1cccn1
Cc1cc2c(SCC(=O)N[C@H](C)C(=O)N(C)C)ncnc2s1 C[C@H](C(=O)N(C)C)[*:1] Cc1cc2c(ncnc2s1)SCC(=O)N[*:1]
Cc1cc2c(SCC(=O)N[C@H](C)C(=O)N(C)C)ncnc2s1 CN(C)C(=O)[*:1] Cc1cc2c(ncnc2s1)SCC(=O)N[C@H](C)[*:1]
NS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)c1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(F)c(c1)C(=O)N1CCO[C@H](C1)C[*:1]
NS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)c1 c1ccc(cc1)C[*:1] NS(=O)(=O)c1ccc(F)c(c1)C(=O)N1CCO[C@@H](C1)[*:1]
NS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)c1 NS(=O)(=O)[*:1] O=C(c1cc(ccc1F)[*:1])N1CCO[C@@H](Cc2ccccc2)C1
CCc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 c1ccc(cc1)C[*:1] CCc1ccc(cc1)C(=O)NC[C@@H]1CN(CCO1)[*:1]
CCc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 CCc1ccc(cc1)[*:1] O=C(NC[C@@H]1CN(CCO1)Cc1ccccc1)[*:1]
CCc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)C(=O)NC[C@@H]1CN(CCO1)C[*:1]
NC(=O)[C@@H]1CN(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CCO1 NC(=O)[*:1] O=C(CN1CCO[C@@H](C1)[*:1])NC[C@H]1CCN(C1)c1ccccc1
NC(=O)[C@@H]1CN(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CCO1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CN(CCO1)CC(=O)NC[C@H]1CCN(C1)[*:1]
O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 c1n[nH]cc1[*:1] O=S(=O)(N1CCC[C@@H](C1)c1cccc(n1)-c1cccc(F)c1)[*:1]
O=S(=O)(c1cn[nH]c1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 Fc1cccc(c1)[*:1] O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](C1)c1cccc(n1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccccc2OC)C1 COC(=O)[*:1] COc1ccccc1C(=O)N1CCC[C@@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccccc2OC)C1 COC(=O)C(C)(C)[*:1] COc1ccccc1C(=O)N1CCC[C@@H](C1)[*:1]
O=C(/C=C/c1cnn(Cc2ccccc2)c1)NCc1nnc2ccccn12 c1ccc(cc1)C[*:1] O=C(/C=C/c1cnn(c1)[*:1])NCc1nnc2ccccn12
O=C(/C=C/c1cnn(Cc2ccccc2)c1)NCc1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] O=C(/C=C/c1cnn(c1)Cc1ccccc1)NC[*:1]
O=C(/C=C/c1cnn(Cc2ccccc2)c1)NCc1nnc2ccccn12 c1ccc(cc1)[*:1] O=C(/C=C/c1cnn(c1)C[*:1])NCc1nnc2ccccn12
C[C@@H]1CCC[C@@H](CC(=O)NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)C1 C[C@@H]1CCC[C@@H](C1)[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)C[*:1]
C[C@@H]1CCC[C@@H](CC(=O)NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)C1 C[C@@H]1CN(CCO1)[*:1] C[C@@H]1CCC[C@@H](CC(=O)NCc2cc[nH+]c(c2)[*:1])C1
C[C@@H]1CCC[C@@H](CC(=O)NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)C1 C[C@@H]1CCC[C@H](C1)C[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)[*:1]
N#CCN(CC#N)C(=O)CC[C@H]1Cc2ccccc2NC1=O N#CC[*:1] N#CCN(C(=O)CC[C@H]1Cc2ccccc2NC1=O)[*:1]
CN(CC1CCC1)C(=O)c1c(O)cccc1O C1CC(C1)[*:1] CN(C[*:1])C(=O)c1c(O)cccc1O
CN(CC1CCC1)C(=O)c1c(O)cccc1O C1CC(C1)C[*:1] CN(C(=O)c1c(O)cccc1O)[*:1]
CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)s1 CC(=O)NC[*:1] O=S(=O)(c1cc(Cl)c(Cl)s1)N1CCCC[C@@H]1C[*:1]
CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)s1 Clc1cc(sc1Cl)[*:1] CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)[*:1]
CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)s1 CC(=O)NCC[*:1] O=S(=O)(c1cc(Cl)c(Cl)s1)N1CCCC[C@@H]1[*:1]
CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)s1 CC(=O)N[*:1] O=S(=O)(c1cc(Cl)c(Cl)s1)N1CCCC[C@@H]1CC[*:1]
CCNC(=O)[C@@H]1CCCN(C(=O)NCCCc2nnc3n2CCCCC3)C1 CCNC(=O)[*:1] O=C(NCCCc1nnc2CCCCCn21)N1CCC[C@H](C1)[*:1]
COC(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1 COC(=O)[*:1] Cc1cc2occ(CC(=O)Nc3ccc(cc3)[*:1])c2cc1C
Cc1noc(CCCNC(=O)N2CCS[C@H](C)[C@H]2C)n1 Cc1noc(n1)[*:1] C[C@H]1SCCN(C(=O)NCCC[*:1])[C@@H]1C
Cc1cccc(C2(CNC(=O)CCS(C)(=O)=O)CCCCC2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)CCC(=O)NCC1(CCCCC1)[*:1]
Cc1cccc(C2(CNC(=O)CCS(C)(=O)=O)CCCCC2)c1 CS(=O)(=O)C[*:1] Cc1cccc(c1)C1(CCCCC1)CNC(=O)C[*:1]
Cc1cccc(C2(CNC(=O)CCS(C)(=O)=O)CCCCC2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)C1(CCCCC1)CNC(=O)CC[*:1]
Cc1cccc(C2(CNC(=O)CCS(C)(=O)=O)CCCCC2)c1 CS(=O)(=O)CC[*:1] Cc1cccc(c1)C1(CCCCC1)CNC(=O)[*:1]
CCSCc1cccc(SC(=O)N(C)C)c1 CCS[*:1] CN(C)C(=O)Sc1cccc(c1)C[*:1]
CCSCc1cccc(SC(=O)N(C)C)c1 CCSC[*:1] CN(C)C(=O)Sc1cccc(c1)[*:1]
O=C(c1ccccc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1)N1CCN(CC1)C(=O)[C@H]1C[C@H]1[*:1]
O=C(c1ccccc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)C(=O)[*:1]
Cc1nc(C)c(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)o1 Fc1cccc(c1)[*:1] Cc1nc(C)c(o1)C(=O)N[C@H]1CCCN(C1)[*:1]
Cc1nc(C)c(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)o1 Cc1nc(C)c(o1)[*:1] O=C(N[C@H]1CCCN(C1)c1cccc(F)c1)[*:1]
CCC(=O)c1ccc(OC[C@@H](O)Cn2cnc3cc(F)ccc3c2=O)cc1 CCC(=O)[*:1] O=c1c2ccc(F)cc2ncn1C[C@H](O)COc1ccc(cc1)[*:1]
Cn1cc(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c2ccccc21 FC(F)(F)[*:1] Cn1cc(CC(=O)N2CCn3c(C2)nnc3[*:1])c2ccccc21
C[C@@H]1CC[C@@H](CO)CN1C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] C[C@@H]1CC[C@@H](CO)CN1C(=O)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
COc1cccc([C@@H]2CCCN2C(=O)c2occc2Br)c1 Brc1ccoc1[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)[*:1]
COc1cc(C)c(Br)cc1S(=O)(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] COc1cc(C)c(Br)cc1S(=O)(=O)N[*:1]
COc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)cc1O Fc1ccc(cc1)[*:1] COc1ccc(cc1O)C[NH2+]C[C@H]1CCN(C1)[*:1]
Cc1cccc(N(Cc2ccc(Br)cc2)S(C)(=O)=O)c1C Brc1ccc(cc1)[*:1] Cc1cccc(c1C)N(C[*:1])S(C)(=O)=O
O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1cccc2cccnc12 O=[N+]([O-])[*:1] c1coc(c1)CNc1ncnc(Nc2cccc3cccnc23)c1[*:1]
O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1cccc2cccnc12 c1coc(c1)[*:1] O=[N+]([O-])c1c(ncnc1Nc1cccc2cccnc12)NC[*:1]
O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1cccc2cccnc12 c1coc(c1)CN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cccc2cccnc12
O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1cccc2cccnc12 c1coc(c1)C[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1cccc2cccnc12
CC(C)[C@@H](NC(=O)N(CCO)Cc1ccccc1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(N[C@@H](c1nc2ccccc2[nH]1)[*:1])N(CCO)Cc1ccccc1
CC(C)[C@@H](NC(=O)N(CCO)Cc1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)C[*:1] CC(C)[C@@H](NC(=O)N(CCO)[*:1])c1nc2ccccc2[nH]1
CC(C)[C@@H](NC(=O)N(CCO)Cc1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N(CCO)C[*:1])c1nc2ccccc2[nH]1
CC(C)[C@@H](NC(=O)N(CCO)Cc1ccccc1)c1nc2ccccc2[nH]1 OCC[*:1] CC(C)[C@@H](NC(=O)N(Cc1ccccc1)[*:1])c1nc2ccccc2[nH]1
CC(C)[C@@H](NC(=O)N(CCO)Cc1ccccc1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)[C@@H](NC(=O)N(CCO)Cc1ccccc1)[*:1]
CCCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C c1ccc(cc1)[*:1] CCCn1c(nc2c1c(=O)n(C)c(=O)n2C)SCC(=O)N(c1ccccc1)[*:1]
CCCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C CCC[*:1] Cn1c(=O)c2c(nc(SCC(=O)N(c3ccccc3)c3ccccc3)n2[*:1])n(C)c1=O
CCOc1ccc2c(c1)C=C(C(=O)N1CCC[C@@H]([NH+](C)C)C1)CO2 CCO[*:1] C[NH+](C)[C@@H]1CCCN(C1)C(=O)C1=Cc2cc(ccc2OC1)[*:1]
NS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)ccc1Cl NS(=O)(=O)[*:1] O=C1COc2ccc(cc2N1)C(=O)COC(=O)c1ccc(Cl)c(c1)[*:1]
CC(C)[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 CC(C)[*:1] c1ccc(cc1)[C@@H]1OCCC[C@H]1C[NH2+][*:1]
COC(=O)C[C@H]1CN(Cc2cn[nH]c2-c2cccc(C)c2)CCO1 Cc1cccc(c1)[*:1] COC(=O)C[C@H]1CN(CCO1)Cc1cn[nH]c1[*:1]
COC(=O)C[C@H]1CN(Cc2cn[nH]c2-c2cccc(C)c2)CCO1 COC(=O)C[*:1] Cc1cccc(c1)-c1[nH]ncc1CN1CCO[C@H](C1)[*:1]
COC(=O)C[C@H]1CN(Cc2cn[nH]c2-c2cccc(C)c2)CCO1 COC(=O)[*:1] Cc1cccc(c1)-c1[nH]ncc1CN1CCO[C@H](C1)C[*:1]
C#CCN(CC(=O)[O-])C(=O)CCNC(=O)C(C)(C)C CC(C)(C)[*:1] C#CCN(CC(=O)[O-])C(=O)CCNC(=O)[*:1]
C#CCN(CC(=O)[O-])C(=O)CCNC(=O)C(C)(C)C O=C([O-])[*:1] C#CCN(C[*:1])C(=O)CCNC(=O)C(C)(C)C
C#CCN(CC(=O)[O-])C(=O)CCNC(=O)C(C)(C)C O=C([O-])C[*:1] C#CCN(C(=O)CCNC(=O)C(C)(C)C)[*:1]
C#CCN(CC(=O)[O-])C(=O)CCNC(=O)C(C)(C)C C#CC[*:1] CC(C)(C)C(=O)NCCC(=O)N(CC(=O)[O-])[*:1]
C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)c2cc(F)c(F)c(F)c2)cc1 C#CCO[*:1] C[C@@H]([NH2+][C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccc(cc1)[*:1]
C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)c2cc(F)c(F)c(F)c2)cc1 C#CC[*:1] C[C@@H]([NH2+][C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccc(cc1)O[*:1]
CCOCCNC(=O)CNc1cccc(C#N)c1 CCO[*:1] N#Cc1cccc(c1)NCC(=O)NCC[*:1]
CCOCCNC(=O)CNc1cccc(C#N)c1 CCOCC[*:1] N#Cc1cccc(c1)NCC(=O)N[*:1]
CCOCCNC(=O)CNc1cccc(C#N)c1 CCOC[*:1] N#Cc1cccc(c1)NCC(=O)NC[*:1]
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(CC(N)=O)cc2)CC1 NC(=O)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)C[*:1]
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(CC(N)=O)cc2)CC1 NC(=O)C[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
O=C1c2ccccc2C(=O)N1OCC[n+]1ccc(Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C1c2ccccc2C(=O)N1OCC[n+]1ccc(cc1)[*:1]
O=C1c2ccccc2C(=O)N1OCC[n+]1ccc(Cc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1OCC[n+]1ccc(cc1)C[*:1]
C#CCn1/c(=N/C(=O)c2ccc(C(=O)OC)cc2)sc2cc(OC)c(OC)cc21 COC(=O)[*:1] C#CCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cc(OC)c(cc21)OC
C#CCn1/c(=N/C(=O)c2ccc(C(=O)OC)cc2)sc2cc(OC)c(OC)cc21 C#CC[*:1] COC(=O)c1ccc(cc1)C(=O)/N=c1\sc2cc(OC)c(cc2n1[*:1])OC
COCCn1cnnc1S[C@@H](C)C(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCCn1cnnc1S[C@@H](C)C(=O)[*:1]
COCCn1cnnc1S[C@@H](C)C(=O)c1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)C(=O)[C@H](C)Sc1nncn1[*:1]
COCCn1cnnc1S[C@@H](C)C(=O)c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)C(=O)[C@H](C)Sc1nncn1C[*:1]
CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1[*:1]
CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1ncoc1C(C)C CC[C@@H](C)NC(=O)[*:1] CC(C)c1ocnc1CS(=O)(=O)[C@@H](C)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1ncoc1C(C)C CC[C@@H](C)[*:1] CC(C)c1ocnc1CS(=O)(=O)[C@@H](C)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1ncoc1C(C)C CC(C)[*:1] CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1ncoc1[*:1]
Cc1cccc(C(=O)N[C@H](C)C2[NH+]=c3ccccc3=[NH+]2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)[*:1])C1[NH+]=c2ccccc2=[NH+]1
O=C(NCCC1=CCCCC1)N1CCC(n2cncn2)CC1 c1ncn(n1)[*:1] O=C(NCCC1=CCCCC1)N1CCC(CC1)[*:1]
C=C(C)COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1 C=C(C)CO[*:1] Cc1c(CC(=O)[O-])c(=O)oc2cc(ccc12)[*:1]
C=C(C)COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1 C=C(C)[*:1] Cc1c(CC(=O)[O-])c(=O)oc2cc(ccc12)OC[*:1]
C=C(C)COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1 C=C(C)C[*:1] Cc1c(CC(=O)[O-])c(=O)oc2cc(ccc12)O[*:1]
C=C(C)COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1 O=C([O-])[*:1] C=C(C)COc1ccc2c(C)c(C[*:1])c(=O)oc2c1
C=C(C)COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1 O=C([O-])C[*:1] C=C(C)COc1ccc2c(C)c(c(=O)oc2c1)[*:1]
CCN(CC)C(=O)CCC(=O)NC1(c2nccs2)CCCC1 CCN(CC)C(=O)[*:1] O=C(CC[*:1])NC1(CCCC1)c1nccs1
CCN(CC)C(=O)CCC(=O)NC1(c2nccs2)CCCC1 c1csc(n1)[*:1] CCN(CC)C(=O)CCC(=O)NC1(CCCC1)[*:1]
Cc1cccc(-n2c3c(c(=O)[nH]c2=O)CN([C@@H](C)c2ccccc2)CN3)c1C Cc1cccc(c1C)[*:1] C[C@@H](c1ccccc1)N1CNc2c(C1)c(=O)[nH]c(=O)n2[*:1]
Cc1cccc(-n2c3c(c(=O)[nH]c2=O)CN([C@@H](C)c2ccccc2)CN3)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)-n1c2NCN(Cc2c(=O)[nH]c1=O)[C@@H](C)[*:1]
Cc1cccc(-n2c3c(c(=O)[nH]c2=O)CN([C@@H](C)c2ccccc2)CN3)c1C C[C@@H](c1ccccc1)[*:1] Cc1cccc(c1C)-n1c2NCN(Cc2c(=O)[nH]c1=O)[*:1]
Cc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1[*:1]
O=C([O-])c1sccc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C([O-])c1sccc1Oc1ccc(cc1)NS(=O)(=O)[*:1]
O=C([O-])c1sccc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C([O-])c1sccc1Oc1ccc(cc1)NS(=O)(=O)C[*:1]
O=C([O-])c1sccc1Oc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 O=C([O-])[*:1] O=S(=O)(Cc1ccccc1)Nc1ccc(cc1)Oc1ccsc1[*:1]
COCCCN1C(=O)N(Cc2cc(=O)c(OC)co2)C(=O)C12CC[NH2+]CC2 COCCC[*:1] COc1coc(cc1=O)CN1C(=O)N(C2(CC[NH2+]CC2)C1=O)[*:1]
COCCCN1C(=O)N(Cc2cc(=O)c(OC)co2)C(=O)C12CC[NH2+]CC2 COC[*:1] COc1coc(cc1=O)CN1C(=O)N(CC[*:1])C2(CC[NH2+]CC2)C1=O
COCCCN1C(=O)N(Cc2cc(=O)c(OC)co2)C(=O)C12CC[NH2+]CC2 COc1coc(cc1=O)[*:1] COCCCN1C(=O)N(C[*:1])C(=O)C12CC[NH2+]CC2
COCCCN1C(=O)N(Cc2cc(=O)c(OC)co2)C(=O)C12CC[NH2+]CC2 COCC[*:1] COc1coc(cc1=O)CN1C(=O)N(C[*:1])C2(CC[NH2+]CC2)C1=O
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCCc2c(F)cccc2F)O1 Fc1cccc(F)c1[*:1] CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCC[*:1])O1
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCCc2c(F)cccc2F)O1 CN(C)C(=O)[*:1] O=C(NCCc1c(F)cccc1F)NC[C@@H]1CC[C@@H](O1)[*:1]
C#CCN1CC[NH+](CCCCCOC)CC1 C#CC[*:1] COCCCCC[NH+]1CCN(CC1)[*:1]
C#CCN1CC[NH+](CCCCCOC)CC1 COCC[*:1] C#CCN1CC[NH+](CCC[*:1])CC1
C#CCN1CC[NH+](CCCCCOC)CC1 COCCC[*:1] C#CCN1CC[NH+](CC1)CC[*:1]
C#CCN1CC[NH+](CCCCCOC)CC1 COC[*:1] C#CCN1CC[NH+](CCCC[*:1])CC1
COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1c(C)noc1C Cc1noc(C)c1[*:1] COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)[*:1]
COc1cc(OC)cc(C(=O)N(c2ccc(C)cc2)[C@H]2C=CS(=O)(=O)C2)c1 Cc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)N([C@H]1C=CS(=O)(=O)C1)[*:1])OC
CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CCOc1ccc(cc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)[*:1]
CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 CCO[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1]
CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)NC[C@H]1CC[C@@H](O1)C(=O)N(C)C)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(C(C)(C)C)cc1 CN(C)C(=O)[*:1] C[C@H](NC(=O)NC[C@H]1CC[C@H](O1)[*:1])c1ccc(cc1)C(C)(C)C
C[C@H](C(=O)NC1CCCC1)N1CCn2nc(CCC(=O)[O-])cc2C1 O=C([O-])CC[*:1] C[C@H](C(=O)NC1CCCC1)N1CCn2nc(cc2C1)[*:1]
C[C@H](C(=O)NC1CCCC1)N1CCn2nc(CCC(=O)[O-])cc2C1 O=C([O-])[*:1] C[C@H](C(=O)NC1CCCC1)N1CCn2nc(cc2C1)CC[*:1]
C[C@H](C(=O)NC1CCCC1)N1CCn2nc(CCC(=O)[O-])cc2C1 O=C(NC1CCCC1)[*:1] C[C@H](N1CCn2nc(cc2C1)CCC(=O)[O-])[*:1]
C[C@H](C(=O)NC1CCCC1)N1CCn2nc(CCC(=O)[O-])cc2C1 C1CCC(C1)[*:1] C[C@H](C(=O)N[*:1])N1CCn2nc(cc2C1)CCC(=O)[O-]
C[C@H](C(=O)NC1CCCC1)N1CCn2nc(CCC(=O)[O-])cc2C1 O=C([O-])C[*:1] C[C@H](C(=O)NC1CCCC1)N1CCn2nc(cc2C1)C[*:1]
CNC(=O)CC[NH+]1CCC(OC)CC1 CNC(=O)[*:1] COC1CC[NH+](CC1)CC[*:1]
COC(=O)C(C)(C)C[NH+](C)CCO COC(=O)[*:1] C[NH+](CCO)CC(C)(C)[*:1]
COC(=O)C(C)(C)C[NH+](C)CCO OCC[*:1] COC(=O)C(C)(C)C[NH+](C)[*:1]
NC(=S)[C@@H]1CN(CC2CCCCC2)CCO1 NC(=S)[*:1] C1CCC(CC1)CN1CCO[C@@H](C1)[*:1]
Cn1cnc(CNC(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)n1 Clc1ccc(cc1)O[*:1] Cn1cnc(CNC(=O)Nc2cc(Cl)ccc2[*:1])n1
Cn1cnc(CNC(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cn1cnc(CNC(=O)Nc2cc(Cl)ccc2O[*:1])n1
Cn1cnc(CNC(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1
Cn1cnc(CNC(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)n1 Cn1cnc(C[*:1])n1 O=C(Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1)N[*:1]
Cc1cc(C)cc(C[S@](=O)CCC(=O)N2CCc3ccccc32)c1 Cc1cc(C)cc(c1)[*:1] O=C(CC[S@@](=O)C[*:1])N1CCc2ccccc21
CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)c1cccc2ccccc12 CC(C)[*:1] C[C@@H](NC(=O)CCn1cc[nH+]c1[*:1])c1cccc2ccccc12
Cc1nc(NC(=O)c2csc(C#CCN)c2)sc1C NCC#C[*:1] Cc1nc(NC(=O)c2csc(c2)[*:1])sc1C
C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C)C(N)=O c1ccc(cc1)[*:1] C[C@@H](CCO[*:1])C(=O)N[C@@H](C)C(N)=O
C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C)C(N)=O NC(=O)[*:1] C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C)[*:1]
C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C)C(N)=O C[C@@H](C(N)=O)[*:1] C[C@@H](CCOc1ccccc1)C(=O)N[*:1]
CC(C)Oc1ccc(C(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)cc1 Fc1ccccc1C[*:1] CC(C)Oc1ccc(cc1)C(=O)N(C[C@@H]1CCCO1)[*:1]
CC(C)Oc1ccc(C(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)cc1 CC(C)O[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccccc1F)C[C@@H]1CCCO1
CC(C)Oc1ccc(C(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)cc1 Fc1ccccc1[*:1] CC(C)Oc1ccc(cc1)C(=O)N(C[C@@H]1CCCO1)C[*:1]
CC(C)Oc1ccc(C(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)O[*:1])N(Cc1ccccc1F)C[C@@H]1CCCO1
CC(=O)NC[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)c(F)c2)C1 CC(=O)N[*:1] C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](C1)C[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)[C@H](C)O[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)c(F)c2)C1 CC(=O)NC[*:1] C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](C1)[*:1]
C[NH+](C)CCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[NH+](C)CCN(Cc1cccc(F)c1)[*:1]
C[NH+](C)CCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[NH+](C)CCN(Cc1cccc(F)c1)C[*:1]
C#CCSc1nc2ccc(OCC)cc2[nH]1 CCO[*:1] C#CCSc1nc2ccc(cc2[nH]1)[*:1]
C#CCSc1nc2ccc(OCC)cc2[nH]1 C#CCS[*:1] CCOc1ccc2nc([nH]c2c1)[*:1]
C#CCSc1nc2ccc(OCC)cc2[nH]1 C#CC[*:1] CCOc1ccc2nc([nH]c2c1)S[*:1]
Cc1[nH+]c(SCc2cc(=O)n3ccsc3n2)n(C2CCCCC2)c1C C1CCC(CC1)[*:1] Cc1[nH+]c(SCc2cc(=O)n3ccsc3n2)n(c1C)[*:1]
Cc1ccc(CN(Cc2ccco2)C(=O)c2csnn2)s1 Cc1ccc(C[*:1])s1 O=C(c1csnn1)N(Cc1ccco1)[*:1]
Cc1ccc(CN(Cc2ccco2)C(=O)c2csnn2)s1 c1coc(c1)C[*:1] Cc1ccc(CN(C(=O)c2csnn2)[*:1])s1
Cc1ccc(CN(Cc2ccco2)C(=O)c2csnn2)s1 c1coc(c1)[*:1] Cc1ccc(CN(C[*:1])C(=O)c2csnn2)s1
Cc1ccc(CN(Cc2ccco2)C(=O)c2csnn2)s1 c1snnc1[*:1] Cc1ccc(CN(Cc2ccco2)C(=O)[*:1])s1
Cc1ccc(CN(Cc2ccco2)C(=O)c2csnn2)s1 Cc1ccc(s1)[*:1] O=C(c1csnn1)N(Cc1ccco1)C[*:1]
C[C@H]1COC[C@H](C)N1Cc1ccccc1OCc1ccccn1 c1ccc(C[*:1])nc1 C[C@H]1COC[C@H](C)N1Cc1ccccc1O[*:1]
C[C@H]1COC[C@H](C)N1Cc1ccccc1OCc1ccccn1 c1ccc(nc1)[*:1] C[C@H]1COC[C@H](C)N1Cc1ccccc1OC[*:1]
CC(C)(C)OC(=O)N1CCC[C@](Cc2ccccc2)(C(=O)[O-])C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCC[C@](Cc2ccccc2)(C1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@](Cc2ccccc2)(C(=O)[O-])C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@](C1)(C[*:1])C(=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@](Cc2ccccc2)(C(=O)[O-])C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@](Cc2ccccc2)(C1)C(=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@](Cc2ccccc2)(C(=O)[O-])C1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CCC[C@@](C1)(C(=O)[O-])[*:1]
CCn1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(F)cccc3s2)n1 CCn1ccc(n1)[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2c(F)cccc2s1
Cc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)o1 Cc1ccc(o1)[*:1] N#CC(=C[*:1])C(=O)Nc1nccs1
Cc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)o1 c1csc(n1)[*:1] Cc1ccc(/C=C(\C#N)C(=O)N[*:1])o1
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NCc1ccccc1Cl O=S(=O)(N1CCCC1)[*:1] O=C(Cn1cc(ccc1=O)[*:1])NCc1ccccc1Cl
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(Cn1cc(ccc1=O)S(=O)(=O)N1CCCC1)N[*:1]
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cn1cc(ccc1=O)S(=O)(=O)N1CCCC1)NC[*:1]
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 c1cc2OCCOc2cc1[*:1] Cc1ccc(cc1)-c1n[nH]c(=S)n1CCC(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] O=C(CCn1c(n[nH]c1=S)[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1 C1CCC(C1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2nc(NC(=O)N[*:1])sc2C1
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1 O=C(NC1CCCC1)N[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2nc(sc2C1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1)[*:1]
COc1cccc(CNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 C1CO[C@@H](C1)C[*:1] COc1cccc(c1)CNC(=O)Nc1cnn(c1)[*:1]
COc1cccc(CNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])Nc1cnn(c1)C[C@@H]1CCCO1
CN(CCc1ccccn1)c1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1 c1ccc(nc1)[*:1] CN(CC[*:1])c1ccc(cn1)C(=O)N1CCC[C@H](C1)Cn1ccnc1
CN(CCc1ccccn1)c1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1 c1cn(cn1)[*:1] CN(CCc1ccccn1)c1ccc(cn1)C(=O)N1CCC[C@H](C1)C[*:1]
CN(CCc1ccccn1)c1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1 CN(CCc1ccccn1)[*:1] O=C(c1ccc(nc1)[*:1])N1CCC[C@H](C1)Cn1ccnc1
CN(CCc1ccccn1)c1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1 c1ccc(C[*:1])nc1 CN(C[*:1])c1ccc(cn1)C(=O)N1CCC[C@H](C1)Cn1ccnc1
CN(CCc1ccccn1)c1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1 c1cn(cn1)C[*:1] CN(CCc1ccccn1)c1ccc(cn1)C(=O)N1CCC[C@@H](C1)[*:1]
CN(CCc1ccccn1)c1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1 c1ccc(CC[*:1])nc1 CN(c1ccc(cn1)C(=O)N1CCC[C@H](C1)Cn1ccnc1)[*:1]
COc1ccc(N2C[C@H](NC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)N1C[C@@H](CC1=O)NC(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(N2C[C@H](NC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1OC COc1ccc(cc1OC)[*:1] O=C(N[C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)C(=O)c1ccco1
Cc1nnsc1[S@](=O)c1ccc(C(F)(F)F)cc1 Cc1nnsc1[*:1] O=[S@](c1ccc(cc1)C(F)(F)F)[*:1]
Cc1nnsc1[S@](=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1nnsc1[S@](=O)c1ccc(cc1)[*:1]
C[C@@H]1SCCC[C@H]1N[C@@H](C[NH+](C)C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1SCCC[C@H]1N[C@@H](C[NH+](C)C)[*:1]
CCOC(=O)[C@]1(CC)O[C@]1(CC)c1ccccc1 CCOC(=O)[*:1] CC[C@@]1(O[C@]1(CC)[*:1])c1ccccc1
CCOC(=O)[C@]1(CC)O[C@]1(CC)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@]1(CC)O[C@@]1(CC)[*:1]
O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1cc(-c2cccs2)on1 c1csc(c1)[*:1] O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1cc(on1)[*:1]
O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1cc(-c2cccs2)on1 Fc1ccc(cc1F)[*:1] O=C(NC[C@H](O)[*:1])c1cc(on1)-c1cccs1
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])N/N=C/c1cccc(c1)[N+](=O)[O-]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(c1)[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)NN=C[*:1]
CN(C)c1cc(CNC(=O)[C@H]2CCC(=O)N2)cc[nH+]1 CN(C)[*:1] O=C1CC[C@@H](N1)C(=O)NCc1cc[nH+]c(c1)[*:1]
CN(C)c1cc(CNC(=O)[C@H]2CCC(=O)N2)cc[nH+]1 O=C1CC[C@@H](N1)[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)[*:1]
O=C(NCC1CC1)[C@H]1NC(C2=CC3=CC=N[C@H]3C=C2)=NO1 C1CC1[*:1] O=C(NC[*:1])[C@H]1NC(=NO1)C1C=C[C@@H]2N=CC=C2C=1
O=C(NCC1CC1)[C@H]1NC(C2=CC3=CC=N[C@H]3C=C2)=NO1 O=C(NCC1CC1)[*:1] C1=C[C@@H]2N=CC=C2C=C1C1=NO[C@H](N1)[*:1]
O=C(NCC1CC1)[C@H]1NC(C2=CC3=CC=N[C@H]3C=C2)=NO1 C1CC1C[*:1] O=C(N[*:1])[C@H]1NC(=NO1)C1C=C[C@@H]2N=CC=C2C=1
COc1ccc(-c2ccnc3nc(-c4cccnc4)nn23)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)-c1ccnc2nc(nn12)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 FC(F)(F)[*:1] C[C@@H](C1CC1)N(C)C(=O)c1cn(nn1)-c1ccc(cn1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 C1CC1[*:1] C[C@@H](N(C)C(=O)c1cn(nn1)-c1ccc(cn1)C(F)(F)F)[*:1]
COc1cccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)n1 COc1cccc(n1)[*:1] O=C(N1CCn2cccc2[C@@H]1c1ccccc1)[*:1]
COc1cccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)n1 c1ccc(cc1)[*:1] COc1cccc(n1)C(=O)N1CCn2cccc2[C@H]1[*:1]
O=C(C[C@H](O)c1cccc(F)c1)N[C@H](Cc1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N[C@H](C[*:1])C(F)(F)F
O=C(C[C@H](O)c1cccc(F)c1)N[C@H](Cc1ccccc1)C(F)(F)F Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])N[C@H](Cc1ccccc1)C(F)(F)F
O=C(C[C@H](O)c1cccc(F)c1)N[C@H](Cc1ccccc1)C(F)(F)F FC(F)(F)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N[C@H](Cc1ccccc1)[*:1]
O=C(C[C@H](O)c1cccc(F)c1)N[C@H](Cc1ccccc1)C(F)(F)F c1ccc(cc1)C[*:1] O=C(C[C@H](O)c1cccc(F)c1)N[C@H](C(F)(F)F)[*:1]
CC(C)CO[C@@H](C)c1noc(CN2CCOC[C@@H]2C2CC2)n1 CC(C)CO[*:1] C[C@@H](c1noc(CN2CCOC[C@@H]2C2CC2)n1)[*:1]
CC(C)CO[C@@H](C)c1noc(CN2CCOC[C@@H]2C2CC2)n1 C1CC1[*:1] CC(C)CO[C@@H](C)c1noc(CN2CCOC[C@H]2[*:1])n1
CC(C)CO[C@@H](C)c1noc(CN2CCOC[C@@H]2C2CC2)n1 CC(C)[*:1] C[C@H](OC[*:1])c1noc(CN2CCOC[C@@H]2C2CC2)n1
CC(C)CO[C@@H](C)c1noc(CN2CCOC[C@@H]2C2CC2)n1 CC(C)CO[C@@H](C)[*:1] C1CN(Cc2nc(no2)[*:1])[C@H](CO1)C1CC1
CC(C)CO[C@@H](C)c1noc(CN2CCOC[C@@H]2C2CC2)n1 CC(C)C[*:1] C[C@H](O[*:1])c1noc(CN2CCOC[C@@H]2C2CC2)n1
[NH3+][C@@]1(C(=O)[O-])CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 O=[N+]([O-])[*:1] [NH3+][C@]1(CCC[C@@H](C1)Oc1ccc(c(F)c1)[*:1])C(=O)[O-]
Cc1cc(C)c(S(=O)(=O)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1cccc2cc(CN(Cc3ccco3)S(=O)(=O)[*:1])c(=O)[nH]c12
Cc1cc(C)c(S(=O)(=O)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)c(C)c1 c1coc(c1)C[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)[*:1]
Cc1cc(C)c(S(=O)(=O)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)c(C)c1 c1coc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)C[*:1]
Cc1ccc(N2C[C@H](C(=O)NCc3cc(-c4ccccc4)on3)CC2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)NCc1cc(on1)[*:1]
Cc1ccc(N2C[C@H](C(=O)NCc3cc(-c4ccccc4)on3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NCc1cc(on1)-c1ccccc1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)n1cccc1C(=O)NCc1cn[nH]c1N Nc1[nH]ncc1[*:1] CC(C)n1cccc1C(=O)NC[*:1]
CC(C)n1cccc1C(=O)NCc1cn[nH]c1N CC(C)[*:1] Nc1[nH]ncc1CNC(=O)c1cccn1[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NCCc1ccccn1 CC(C)[*:1] NC(=O)N[C@H](C(=O)NCCc1ccccn1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NCCc1ccccn1 NC(=O)N[*:1] CC(C)[C@H](C(=O)NCCc1ccccn1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(N)=O)C(=O)NCC[*:1]
O=C(c1cccnc1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 c1cncc(c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)N1CCCCC1)[*:1]
C[C@H]1CCCCN1C(=O)Cn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21 O=C(N[*:1])c1ccc(F)cc1 C[C@H]1CCCCN1C(=O)Cn1c(C[*:1])nc2ccccc21
C[C@H]1CCCCN1C(=O)Cn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21 Fc1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)Cn1c(CNC(=O)[*:1])nc2ccccc21
Cn1c(=O)c2nnc(N3CCOCC3)nc2n(C)c1=O C1CN(CCO1)[*:1] Cn1c(=O)c2nnc(nc2n(C)c1=O)[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)c2cnc3c(C)cccn3c2=O)c1 Cc1cc(C)cc(c1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N[C@@H](C)[*:1]
O=C(Nc1cccc(-c2ccco2)c1)C1CCN(Cc2[nH]cc[nH+]2)CC1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)[*:1])C1CCN(CC1)Cc1[nH]cc[nH+]1
Fc1ccccc1-c1nnc(SC[C@@H]2COc3ccccc3O2)n1C1CC1 C1CC1[*:1] Fc1ccccc1-c1nnc(SC[C@@H]2COc3ccccc3O2)n1[*:1]
Fc1ccccc1-c1nnc(SC[C@@H]2COc3ccccc3O2)n1C1CC1 Fc1ccccc1[*:1] c1ccc2O[C@@H](COc2c1)CSc1nnc(n1C1CC1)[*:1]
Cc1nn(CCC(=O)N2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CCC(=O)N2CCCC[C@@H]2C)c(C)c1[*:1]
Cc1nsc(N2CCCN(C(=O)NC3CC3)CC2)n1 Cc1nsc(n1)[*:1] O=C(NC1CC1)N1CCCN(CC1)[*:1]
Cc1nsc(N2CCCN(C(=O)NC3CC3)CC2)n1 C1CC1[*:1] Cc1nsc(n1)N1CCCN(CC1)C(=O)N[*:1]
Cc1c(C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c([O-])n(C)c(=O)c1C#N CC(C)[*:1] Cc1c(C(=O)[C@H](C)Oc2ccc(cc2)[*:1])c([O-])n(C)c(=O)c1C#N
O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1cccc(F)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(CNc1cccc(c1)[*:1])Nc1cccc(F)c1
O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CNc1cccc(c1)S(=O)(=O)N1CCCCC1)N[*:1]
C[C@H](SC(=S)N1CCCC1)c1nnc(-c2cccs2)o1 c1csc(c1)[*:1] C[C@H](SC(=S)N1CCCC1)c1nnc(o1)[*:1]
CCn1cnnc1CNC(=O)c1oc2ccccc2c1COC(C)C CC(C)OC[*:1] CCn1cnnc1CNC(=O)c1oc2ccccc2c1[*:1]
CCn1cnnc1CNC(=O)c1oc2ccccc2c1COC(C)C CCn1cnnc1C[*:1] CC(C)OCc1c(oc2ccccc12)C(=O)N[*:1]
CCn1cnnc1CNC(=O)c1oc2ccccc2c1COC(C)C CC(C)O[*:1] CCn1cnnc1CNC(=O)c1oc2ccccc2c1C[*:1]
CCn1cnnc1CNC(=O)c1oc2ccccc2c1COC(C)C CCn1cnnc1[*:1] CC(C)OCc1c(oc2ccccc12)C(=O)NC[*:1]
CCn1cnnc1CNC(=O)c1oc2ccccc2c1COC(C)C CC(C)[*:1] CCn1cnnc1CNC(=O)c1oc2ccccc2c1CO[*:1]
C[C@@H]1C[NH+](CCCCCO)C[C@H]1C OCC[*:1] C[C@@H]1C[NH+](CCC[*:1])C[C@H]1C
C[C@@H]1C[NH+](CCCCCO)C[C@H]1C OCCC[*:1] C[C@@H]1C[NH+](CC[*:1])C[C@H]1C
CC[C@H]1CO[C@H](C)CN1Cc1ccc(C(=O)OC)cn1 COC(=O)[*:1] CC[C@H]1CO[C@H](C)CN1Cc1ccc(cn1)[*:1]
CCOC(=O)C1=C2CCC[C@H]2S[C@@H]1NC(=O)CO[C@H]1C(=O)C=CN=C1C CCOC(=O)[*:1] CC1=NC=CC(=O)[C@@H]1OCC(=O)N[C@H]1S[C@@H]2CCCC2=C1[*:1]
CN(C)C(=O)C(C)(C)NC(=O)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] CN(C)C(=O)C(C)(C)NC(=O)c1cnc(s1)[*:1]
CN(C)C(=O)C(C)(C)NC(=O)c1cnc([C@H]2CCCO2)s1 CN(C)C(=O)[*:1] CC(C)(NC(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
CC(C)(CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccncc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)[C@H]1CC(=O)N(CC[*:1])C1)c1ccncc1
CC(C)(CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccncc1 c1ccc(cc1)CC[*:1] CC(C)(CNC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccncc1
CC(C)(CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(CCc2ccccc2)C1
CC(C)(CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccncc1 c1ccc(cc1)C[*:1] CC(C)(CNC(=O)[C@H]1CC(=O)N(C1)C[*:1])c1ccncc1
CC(C)(CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)[*:1]
CCN(CC)c1[nH+]cccc1CNC(=O)c1cnc2c(c1)ncn2C CCN(CC)[*:1] Cn1cnc2cc(cnc21)C(=O)NCc1ccc[nH+]c1[*:1]
CCOC(=O)CCSc1nc(C)c2cc(C)ccc2n1 CCOC(=O)C[*:1] Cc1ccc2nc(nc(C)c2c1)SC[*:1]
CCOC(=O)CCSc1nc(C)c2cc(C)ccc2n1 CCOC(=O)[*:1] Cc1ccc2nc(nc(C)c2c1)SCC[*:1]
Cn1nc(C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc(C2CCN(CC2)C(=O)c2cc(on2)-c2cccs2)n(c1=O)[*:1]
Cn1nc(C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)n(-c2ccccc2)c1=O c1csc(c1)[*:1] Cn1nc(C2CCN(CC2)C(=O)c2cc(on2)[*:1])n(-c2ccccc2)c1=O
Cn1nc(C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)n(-c2ccccc2)c1=O c1csc(c1)-c1cc(no1)[*:1] Cn1nc(C2CCN(CC2)C(=O)[*:1])n(-c2ccccc2)c1=O
Cc1[nH]ncc1C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 Cc1[nH]ncc1[*:1] O=C(C1CCCCC1)N1CC[C@@H](C1)NC(=O)[*:1]
Cc1[nH]ncc1C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 C1CCC(CC1)[*:1] Cc1[nH]ncc1C(=O)N[C@H]1CCN(C1)C(=O)[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nc3ccccc3nc2Cl)C1 CC(C)(C)OC(=O)N[*:1] Clc1nc2ccccc2nc1N1CC[C@H](C1)C[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nc3ccccc3nc2Cl)C1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCN(C1)c1nc2ccccc2nc1Cl)O[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)C[C@H](C)c2ccccc2OC)C1 CCNS(=O)(=O)[*:1] COc1ccccc1[C@@H](C)CC(=O)N1CC[C@@H](C1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)C[C@H](C)c2ccccc2OC)C1 COc1ccccc1[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)C[C@H](C)[*:1]
Cc1ccc(SC(=C(Cl)Cl)/C(=C2/OCCS2)[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)SC(=C(Cl)Cl)C(=C1OCCS1)[*:1]
Cc1ccc(SC(=C(Cl)Cl)/C(=C2/OCCS2)[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])/C(C(S[*:1])=C(Cl)Cl)=C1\OCCS1
O=C(CCN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(CCN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)N[*:1]
O=C(CCN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)Nc1cccnc1 O=C(Nc1cccnc1)[*:1] Fc1ccc(cc1F)-c1n[nH]c2CCN(CC[*:1])Cc12
O=C(CCN1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)Nc1cccnc1 Fc1ccc(cc1F)[*:1] O=C(CCN1CCc2[nH]nc(c2C1)[*:1])Nc1cccnc1
C[C@@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@@H](c3ccc(F)cc3)N12 Ic1ccc(cc1)[*:1] C[C@@H]1N=C([C@@H]2[C@@H](c3ccc(F)cc3)N12)[*:1]
C[C@@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@@H](c3ccc(F)cc3)N12 Fc1ccc(cc1)[*:1] C[C@@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@@H](N12)[*:1]
COc1cc(C[NH2+][C@](C)(CO)C2CC2)cc2c1OCO2 C1CC1[*:1] COc1cc(cc2OCOc12)C[NH2+][C@](C)(CO)[*:1]
CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(OC)cc2)CC1 COc1ccc(cc1)C[*:1] CCOC(=O)C1CCN(CC1)C(=O)c1cc2sc(C)cc2n1[*:1]
CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)c1cc2sc(C)cc2n1C[*:1]
CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(OC)cc2)CC1 CCOC(=O)[*:1] COc1ccc(cc1)Cn1c(cc2sc(C)cc21)C(=O)N1CCC(CC1)[*:1]
COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(CCO)CC1 OCC[*:1] COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(CC1)[*:1]
CCN(C(=O)C(=O)NCCCc1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(C(=O)C(=O)NCCCc1ccccc1)[*:1]
CCN(C(=O)C(=O)NCCCc1ccccc1)c1cccc(F)c1 c1ccc(cc1)C[*:1] CCN(C(=O)C(=O)NCC[*:1])c1cccc(F)c1
CCN(C(=O)C(=O)NCCCc1ccccc1)c1cccc(F)c1 c1ccc(cc1)CC[*:1] CCN(C(=O)C(=O)NC[*:1])c1cccc(F)c1
CCN(C(=O)C(=O)NCCCc1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] CCN(C(=O)C(=O)NCCC[*:1])c1cccc(F)c1
Cc1nn(C[C@@H](O)c2ccc(Cl)cc2)c(=O)c2ccccc12 Clc1ccc(cc1)[*:1] Cc1nn(C[C@@H](O)[*:1])c(=O)c2ccccc12
CCOc1ccc(/C=C/C([O-])=C(/C#N)C(=O)NC(C)C)cc1OC CCO[*:1] COc1cc(/C=C/C([O-])=C(/C#N)C(=O)NC(C)C)ccc1[*:1]
CCOc1ccc(/C=C/C([O-])=C(/C#N)C(=O)NC(C)C)cc1OC CC(C)NC(=O)[*:1] CCOc1ccc(/C=C/C(/[O-])=C(C#N)[*:1])cc1OC
CCOc1ccc(/C=C/C([O-])=C(/C#N)C(=O)NC(C)C)cc1OC CC(C)[*:1] CCOc1ccc(/C=C/C([O-])=C(/C#N)C(=O)N[*:1])cc1OC
Cc1cnc(NC(=O)CCc2ncc(-c3ccccc3)o2)s1 c1ccc(cc1)[*:1] Cc1cnc(NC(=O)CCc2ncc(o2)[*:1])s1
Cc1cnc(NC(=O)CCc2ncc(-c3ccccc3)o2)s1 Cc1cnc(s1)[*:1] O=C(CCc1ncc(o1)-c1ccccc1)N[*:1]
Cc1[nH]ncc1CCCN1C(=O)c2cc(Br)ccc2S1(=O)=O Cc1[nH]ncc1C[*:1] O=C1c2cc(Br)ccc2S(=O)(=O)N1CC[*:1]
Cc1[nH]ncc1CCCN1C(=O)c2cc(Br)ccc2S1(=O)=O Cc1[nH]ncc1[*:1] O=C1c2cc(Br)ccc2S(=O)(=O)N1CCC[*:1]
CSCCCCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] CSCCCCNC(=O)N[C@@H]1CCN(C1=O)[*:1]
CSCCCCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CSCC[*:1] O=C(NCC[*:1])N[C@@H]1CCN(C1=O)c1c(F)cccc1F
CSCCCCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CSC[*:1] O=C(NCCC[*:1])N[C@@H]1CCN(C1=O)c1c(F)cccc1F
CSCCCCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CSCCCC[*:1] O=C(N[C@@H]1CCN(C1=O)c1c(F)cccc1F)N[*:1]
CSCCCCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CSCCC[*:1] O=C(NC[*:1])N[C@@H]1CCN(C1=O)c1c(F)cccc1F
O=C(NCC(F)(F)F)c1cccc(Cl)c1 FC(F)(F)[*:1] O=C(NC[*:1])c1cccc(Cl)c1
O=C(NCC(F)(F)F)c1cccc(Cl)c1 FC(F)(F)C[*:1] O=C(N[*:1])c1cccc(Cl)c1
CCC[NH2+][C@@H](Cc1ncccc1C)c1sccc1C Cc1ccsc1[*:1] CCC[NH2+][C@@H](Cc1ncccc1C)[*:1]
CCC[NH2+][C@@H](Cc1ncccc1C)c1sccc1C CCC[*:1] Cc1cccnc1C[C@H]([NH2+][*:1])c1sccc1C
COC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 COC[*:1] C[C@H](OC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)[*:1]
COC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 COC[C@H](C)[*:1] O=C(O[*:1])[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1
O=C(NCc1cn2ccsc2n1)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NCc1cn2ccsc2n1)c1ccnc(c1)O[*:1]
O=C(NCc1cn2ccsc2n1)c1ccnc(OC2CCCCC2)c1 c1cn2cc(nc2s1)[*:1] O=C(NC[*:1])c1ccnc(c1)OC1CCCCC1
O=C(NCc1cn2ccsc2n1)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] O=C(NCc1cn2ccsc2n1)c1ccnc(c1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)C1 Fc1ccccc1[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CC(C)(CNC(=O)c1cccc(-n2cccn2)n1)[NH+]1CCCCC1 c1cnn(c1)[*:1] CC(C)(CNC(=O)c1cccc(n1)[*:1])[NH+]1CCCCC1
Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 Cc1ccc(Cl)cc1[*:1] O=C1CC[C@@H]2CN(CC[C@@H]2N1C1CC1)S(=O)(=O)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 C1CC1[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC(=O)N2[*:1])C1
CCCCCNC(=O)N(C)Cc1ncnn1C CCCC[*:1] CN(Cc1ncnn1C)C(=O)NC[*:1]
CCCCCNC(=O)N(C)Cc1ncnn1C CCC[*:1] CN(Cc1ncnn1C)C(=O)NCC[*:1]
CCCCCNC(=O)N(C)Cc1ncnn1C CCCCC[*:1] CN(Cc1ncnn1C)C(=O)N[*:1]
O=C([O-])CCCS(=O)(=O)Nc1ccc(Cl)cc1F O=C([O-])CCC[*:1] O=S(=O)(Nc1ccc(Cl)cc1F)[*:1]
O=C([O-])CCCS(=O)(=O)Nc1ccc(Cl)cc1F O=C([O-])[*:1] O=S(=O)(CCC[*:1])Nc1ccc(Cl)cc1F
O=C([O-])CCCS(=O)(=O)Nc1ccc(Cl)cc1F O=C([O-])C[*:1] O=S(=O)(CC[*:1])Nc1ccc(Cl)cc1F
O=C([O-])CCCS(=O)(=O)Nc1ccc(Cl)cc1F O=C([O-])CC[*:1] O=S(=O)(C[*:1])Nc1ccc(Cl)cc1F
CC(C)c1nccn1Cc1cccc(NC(=O)NCC(=O)NC(C)(C)C)c1 CC(C)(C)NC(=O)C[*:1] CC(C)c1nccn1Cc1cccc(c1)NC(=O)N[*:1]
CC(C)c1nccn1Cc1cccc(NC(=O)NCC(=O)NC(C)(C)C)c1 CC(C)c1nccn1C[*:1] CC(C)(C)NC(=O)CNC(=O)Nc1cccc(c1)[*:1]
CC(C)c1nccn1Cc1cccc(NC(=O)NCC(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] CC(C)c1nccn1Cc1cccc(c1)NC(=O)NCC(=O)N[*:1]
CC(C)c1nccn1Cc1cccc(NC(=O)NCC(=O)NC(C)(C)C)c1 CC(C)[*:1] CC(C)(C)NC(=O)CNC(=O)Nc1cccc(c1)Cn1ccnc1[*:1]
CC(C)c1nccn1Cc1cccc(NC(=O)NCC(=O)NC(C)(C)C)c1 CC(C)(C)NC(=O)[*:1] CC(C)c1nccn1Cc1cccc(c1)NC(=O)NC[*:1]
CC(C)c1nccn1Cc1cccc(NC(=O)NCC(=O)NC(C)(C)C)c1 CC(C)c1nccn1[*:1] CC(C)(C)NC(=O)CNC(=O)Nc1cccc(c1)C[*:1]
O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(cc1)O[*:1]
O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 Brc1ccc(cc1)O[*:1] O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(cc1)[*:1]
O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 O=c1c(Cl)c(Cl)cnn1[*:1] O=C(C[*:1])Nc1ccc(cc1)Oc1ccc(Br)cc1
CC(=O)c1ccc(SCC(=O)N2CCO[C@H](c3cccc(F)c3)C2)c(F)c1 CC(=O)[*:1] O=C(CSc1ccc(cc1F)[*:1])N1CCO[C@@H](C1)c1cccc(F)c1
CC(=O)c1ccc(SCC(=O)N2CCO[C@H](c3cccc(F)c3)C2)c(F)c1 Fc1cccc(c1)[*:1] CC(=O)c1ccc(SCC(=O)N2CCO[C@H](C2)[*:1])c(F)c1
Cc1noc(C)c1NC(=O)N(CCCO)[C@H]1CCc2ccccc21 OCC[*:1] Cc1noc(C)c1NC(=O)N(C[*:1])[C@H]1CCc2ccccc21
Cc1noc(C)c1NC(=O)N(CCCO)[C@H]1CCc2ccccc21 OCCC[*:1] Cc1noc(C)c1NC(=O)N([C@H]1CCc2ccccc21)[*:1]
Cc1noc(C)c1NC(=O)N(CCCO)[C@H]1CCc2ccccc21 Cc1noc(C)c1[*:1] O=C(N[*:1])N(CCCO)[C@H]1CCc2ccccc21
CC(C)Oc1ccc(NC(=O)CCn2ccccc2=O)cc1 CC(C)[*:1] O=C(CCn1ccccc1=O)Nc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(NC(=O)CCn2ccccc2=O)cc1 O=c1ccccn1[*:1] CC(C)Oc1ccc(cc1)NC(=O)CC[*:1]
CC(C)Oc1ccc(NC(=O)CCn2ccccc2=O)cc1 CC(C)O[*:1] O=C(CCn1ccccc1=O)Nc1ccc(cc1)[*:1]
C[C@@H](CC(=O)N[C@H](C)c1cccc(Cl)c1)c1ccccc1 Clc1cccc(c1)[*:1] C[C@@H](CC(=O)N[C@H](C)[*:1])c1ccccc1
C[C@@H](CC(=O)N[C@H](C)c1cccc(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)N[C@H](C)c1cccc(Cl)c1)[*:1]
CCN(CCC#N)S(=O)(=O)c1ccc(C(C)=O)cc1 N#CCC[*:1] CCN(S(=O)(=O)c1ccc(cc1)C(C)=O)[*:1]
CCN(CCC#N)S(=O)(=O)c1ccc(C(C)=O)cc1 N#CC[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(cc1)C(C)=O
CCN(CCC#N)S(=O)(=O)c1ccc(C(C)=O)cc1 CC(=O)[*:1] CCN(CCC#N)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1c(N[C@@H](Cn2cncn2)c2ccccc2)cc(C#N)cc1[N+](=O)[O-] c1ncn(n1)[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N[C@@H](C[*:1])c1ccccc1
Cc1c(N[C@@H](Cn2cncn2)c2ccccc2)cc(C#N)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N[C@@H](Cn1cncn1)[*:1]
Cc1c(N[C@@H](Cn2cncn2)c2ccccc2)cc(C#N)cc1[N+](=O)[O-] c1ncn(C[*:1])n1 Cc1c(cc(C#N)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)[*:1]
Cc1c(N[C@@H](Cn2cncn2)c2ccccc2)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])N[C@@H](Cn1cncn1)c1ccccc1
Cc1ccc(NC(=O)NNC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)NNC(=O)[*:1]
Cc1nc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cs1 FC(F)(F)[*:1] Cc1nc(cs1)-c1noc(n1)-c1ccc(cc1)[*:1]
Cc1nc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cs1 Cc1nc(cs1)[*:1] FC(F)(F)c1ccc(cc1)-c1nc(no1)[*:1]
C[C@@H](NC(=O)CN1CCCc2ccccc21)c1ccco1 C[C@@H](c1ccco1)[*:1] O=C(CN1CCCc2ccccc21)N[*:1]
C[C@@H](NC(=O)CN1CCCc2ccccc21)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)CN1CCCc2ccccc21)[*:1]
Cc1cnc([C@@H](C)NC(=O)N(C)CCN(C)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N(C)CCN(C)[*:1]
Cc1cnc([C@@H](C)NC(=O)N(C)CCN(C)c2ccccc2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)N(C)CCN(C)c1ccccc1)[*:1]
COc1cccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc3c(c(=O)[nH]2)CCC3)c1OC c1csc(c1)[*:1] COc1cccc(C(=O)Nc2cc(nn2-c2nc3CCCc3c(=O)[nH]2)[*:1])c1OC
COc1cccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc3c(c(=O)[nH]2)CCC3)c1OC COc1cccc(c1OC)[*:1] O=C(Nc1cc(nn1-c1nc2CCCc2c(=O)[nH]1)-c1cccs1)[*:1]
O=C(NC[C@H](O)c1ccc(Cl)cc1)c1scnc1C1CC1 C1CC1[*:1] O=C(NC[C@H](O)c1ccc(Cl)cc1)c1scnc1[*:1]
O=C(NC[C@H](O)c1ccc(Cl)cc1)c1scnc1C1CC1 Clc1ccc(cc1)[*:1] O=C(NC[C@H](O)[*:1])c1scnc1C1CC1
COC(=O)c1cccc(NC(=O)NCCc2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] COC(=O)c1cccc(NC(=O)NCC[*:1])c1C
COC(=O)c1cccc(NC(=O)NCCc2ccc(F)cc2)c1C Fc1ccc(cc1)C[*:1] COC(=O)c1cccc(NC(=O)NC[*:1])c1C
COC(=O)c1cccc(NC(=O)NCCc2ccc(F)cc2)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)NCCc1ccc(F)cc1
Cc1cccc(N[C@@H]2CCN(C3CC3)C2=O)c1C(N)=O C1CC1[*:1] Cc1cccc(N[C@@H]2CCN(C2=O)[*:1])c1C(N)=O
Cc1cccc(N[C@@H]2CCN(C3CC3)C2=O)c1C(N)=O NC(=O)[*:1] Cc1cccc(N[C@@H]2CCN(C2=O)C2CC2)c1[*:1]
O=C([O-])c1cccn1CC(=O)N1CCC[C@H]2CCCC[C@H]21 O=C([O-])[*:1] O=C(Cn1cccc1[*:1])N1CCC[C@H]2CCCC[C@H]21
CC(C)(CCC#N)C[NH+]1CCC(CN2CCCCC2=O)CC1 N#CC[*:1] CC(C)(C[NH+]1CCC(CC1)CN1CCCCC1=O)C[*:1]
CC(C)(CCC#N)C[NH+]1CCC(CN2CCCCC2=O)CC1 N#CCC[*:1] CC(C)(C[NH+]1CCC(CC1)CN1CCCCC1=O)[*:1]
CC(C)(CCC#N)C[NH+]1CCC(CN2CCCCC2=O)CC1 CC(C)(CCC#N)[*:1] O=C1CCCCN1CC1CC[NH+](CC1)C[*:1]
CC(C)(CCC#N)C[NH+]1CCC(CN2CCCCC2=O)CC1 O=C1CCCCN1[*:1] CC(C)(CCC#N)C[NH+]1CCC(CC1)C[*:1]
CC(=O)[C@H](C)S[C@H](C(=O)NC1CCCCCCC1)C(C)C CC(C)[*:1] CC(=O)[C@H](C)S[C@H](C(=O)NC1CCCCCCC1)[*:1]
CC(=O)[C@H](C)S[C@H](C(=O)NC1CCCCCCC1)C(C)C CC(=O)[C@H](C)[*:1] CC(C)[C@H](S[*:1])C(=O)NC1CCCCCCC1
CC(=O)[C@H](C)S[C@H](C(=O)NC1CCCCCCC1)C(C)C CC(=O)[*:1] CC(C)[C@H](S[C@@H](C)[*:1])C(=O)NC1CCCCCCC1
NC(=O)c1cncc(NCCn2cccc2)n1 c1ccn(c1)[*:1] NC(=O)c1cncc(n1)NCC[*:1]
NC(=O)c1cncc(NCCn2cccc2)n1 NC(=O)[*:1] c1ccn(c1)CCNc1cncc(n1)[*:1]
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cc(Cl)ccc1C#N)C2=O N#Cc1ccc(Cl)cc1[*:1] C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[*:1])C2=O
O=C(CCNc1ncccn1)Nc1nc(-c2ccc3ccccc3c2)cs1 c1cnc(nc1)[*:1] O=C(CCN[*:1])Nc1nc(cs1)-c1ccc2ccccc2c1
O=C(CCNc1ncccn1)Nc1nc(-c2ccc3ccccc3c2)cs1 c1cnc(nc1)NC[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc2ccccc2c1
O=C(CCNc1ncccn1)Nc1nc(-c2ccc3ccccc3c2)cs1 c1cnc(nc1)NCC[*:1] O=C(Nc1nc(cs1)-c1ccc2ccccc2c1)[*:1]
O=C(CCNc1ncccn1)Nc1nc(-c2ccc3ccccc3c2)cs1 c1cnc(nc1)N[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1ccc2ccccc2c1
CCC(=O)Nc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 NC(=O)N[*:1] CCC(=O)Nc1cccc(c1)NC(=O)[C@@H](Cc1ccccc1)[*:1]
CCC(=O)Nc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 CCC(=O)N[*:1] NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(c1)[*:1]
CCC(=O)Nc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 c1ccc(cc1)C[*:1] CCC(=O)Nc1cccc(c1)NC(=O)[C@@H](NC(N)=O)[*:1]
CCC(=O)Nc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 c1ccc(cc1)[*:1] CCC(=O)Nc1cccc(c1)NC(=O)[C@@H](C[*:1])NC(N)=O
CCCCN/C(NC[C@@H]1CCCO1)=[NH+]\C CCCC[*:1] C/[NH+]=C(/NC[C@@H]1CCCO1)N[*:1]
CCCCN/C(NC[C@@H]1CCCO1)=[NH+]\C C1CO[C@@H](C1)[*:1] CCCCN/C(NC[*:1])=[NH+]\C
CCCCN/C(NC[C@@H]1CCCO1)=[NH+]\C CCC[*:1] C/[NH+]=C(/NC[C@@H]1CCCO1)NC[*:1]
C[C@@H](c1cccs1)N(C)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O C[C@@H](c1cccs1)[*:1] CN(C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)[*:1]
C[C@@H](c1cccs1)N(C)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O c1csc(c1)[*:1] C[C@@H](N(C)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)[*:1]
COc1cc(OC)cc(C(=O)N2CCC[C@@H]2C(=O)NCc2csc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)N1CCC[C@@H]1C(=O)NCc1csc(n1)[*:1])OC
COc1cc(OC)cc(C(=O)N2CCC[C@@H]2C(=O)NCc2csc(-c3ccccc3)n2)c1 COc1cc(cc(c1)[*:1])OC O=C(NCc1csc(n1)-c1ccccc1)[C@H]1CCCN1C(=O)[*:1]
CCN(C)C(=O)N(CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] CCN(C)C(=O)N(CC1CC[NH2+]CC1)[*:1]
CC(C)c1nc(C2CCC(O)CC2)n(-c2cccc3cccnc23)n1 OC1CCC(CC1)[*:1] CC(C)c1nc(n(n1)-c1cccc2cccnc12)[*:1]
CC(C)c1nc(C2CCC(O)CC2)n(-c2cccc3cccnc23)n1 CC(C)[*:1] OC1CCC(CC1)c1nc(nn1-c1cccc2cccnc12)[*:1]
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCOC[C@@H]2C2CC2)cc1 C1CC1[*:1] CC(=O)Nc1ccc(cc1)OC[C@@H](O)CN1CCOC[C@H]1[*:1]
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCOC[C@@H]2C2CC2)cc1 CC(=O)N[*:1] O[C@H](COc1ccc(cc1)[*:1])CN1CCOC[C@@H]1C1CC1
O=C(COCc1ccccc1)NC[C@H]1CC[C@@H](C(=O)[O-])O1 c1ccc(cc1)[*:1] O=C(COC[*:1])NC[C@H]1CC[C@H](O1)C(=O)[O-]
O=C(COCc1ccccc1)NC[C@H]1CC[C@@H](C(=O)[O-])O1 c1ccc(cc1)C[*:1] O=C(CO[*:1])NC[C@H]1CC[C@H](O1)C(=O)[O-]
O=C(COCc1ccccc1)NC[C@H]1CC[C@@H](C(=O)[O-])O1 O=C([O-])[*:1] O=C(COCc1ccccc1)NC[C@H]1CC[C@@H](O1)[*:1]
COC(=O)C1CCN(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)CC1 COC(=O)[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)N1CCC(CC1)[*:1]
COC(=O)C1CCN(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)CC1 C1CCC(C1)[*:1] COC(=O)C1CCN(CC1)C(=O)N[C@H]1CCCC[C@H]1O[*:1]
COC(=O)C1CCN(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)CC1 C1CCC(C1)O[*:1] COC(=O)C1CCN(CC1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
C#CCN1CCN([C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)CC1 C#CC[*:1] CCOC(=O)N1CCN(CC1)C(=O)[C@H](C)N1CCN(CC1)[*:1]
C[C@@H](O/N=C/c1ccc(-n2cncn2)cc1)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@@H](O/N=C/c1ccc(cc1)-n1cncn1)[*:1]
C[C@@H](O/N=C/c1ccc(-n2cncn2)cc1)C(=O)NC1CC1 c1ncn(n1)[*:1] C[C@@H](O/N=C/c1ccc(cc1)[*:1])C(=O)NC1CC1
C[C@@H](O/N=C/c1ccc(-n2cncn2)cc1)C(=O)NC1CC1 C1CC1[*:1] C[C@@H](O/N=C/c1ccc(cc1)-n1cncn1)C(=O)N[*:1]
C[C@H](NC(=O)N1CC=C(c2ccc(Cl)cc2)CC1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)N1CC=C(CC1)c1ccc(Cl)cc1)[*:1]
C[C@H](NC(=O)N1CC=C(c2ccc(Cl)cc2)CC1)c1cnn(C)c1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)N1CC=C(CC1)[*:1])c1cnn(C)c1
CC(C)(C)OC(=O)N1CCC2=CC(=O)CC[C@@H]2C1 CC(C)(C)[*:1] O=C1C=C2CCN(C[C@H]2CC1)C(=O)O[*:1]
COc1ccc(-c2nsc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nc(ns1)[*:1])Nc1ccccc1C(F)(F)F
COc1ccc(-c2nsc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1nsc(n1)SCC(=O)Nc1ccccc1[*:1]
C/C(=N/OC(=O)c1ccc(Cl)cc1)c1ccn(S(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C/C(=N/OC(=O)c1ccc(Cl)cc1)c1ccn(c1)S(=O)(=O)[*:1]
C/C(=N/OC(=O)c1ccc(Cl)cc1)c1ccn(S(=O)(=O)c2ccccc2)c1 Clc1ccc(cc1)[*:1] C/C(=N/OC(=O)[*:1])c1ccn(c1)S(=O)(=O)c1ccccc1
CC[NH+](CCC#N)Cc1nc(CS(C)(=O)=O)no1 N#CC[*:1] CC[NH+](Cc1nc(CS(C)(=O)=O)no1)C[*:1]
CC[NH+](CCC#N)Cc1nc(CS(C)(=O)=O)no1 N#CCC[*:1] CC[NH+](Cc1nc(CS(C)(=O)=O)no1)[*:1]
CC[NH+](CCC#N)Cc1nc(CS(C)(=O)=O)no1 CS(=O)(=O)[*:1] CC[NH+](CCC#N)Cc1nc(C[*:1])no1
CC[NH+](CCC#N)Cc1nc(CS(C)(=O)=O)no1 CS(=O)(=O)C[*:1] CC[NH+](CCC#N)Cc1nc(no1)[*:1]
CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(C)ccc2OC)c1=O CCC[*:1] COc1ccc(C)cc1NC(=O)Cn1c(=O)n(c(=O)c2sc(nc21)N1CCCC1)[*:1]
CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(C)ccc2OC)c1=O C1CCN(C1)[*:1] CCCn1c(=O)c2sc(nc2n(CC(=O)Nc2cc(C)ccc2OC)c1=O)[*:1]
CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(C)ccc2OC)c1=O COc1ccc(C)cc1[*:1] CCCn1c(=O)c2sc(nc2n(CC(=O)N[*:1])c1=O)N1CCCC1
C[C@H]1CCCN(c2ccc(C(=O)NNC(=O)C3CC3)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1CCCN(C1)c1ccc(cc1[*:1])C(=O)NNC(=O)C1CC1
C[C@H]1CCCN(c2ccc(C(=O)NNC(=O)C3CC3)cc2[N+](=O)[O-])C1 C1CC1[*:1] C[C@H]1CCCN(C1)c1ccc(cc1[N+](=O)[O-])C(=O)NNC(=O)[*:1]
C[C@H]1CCCN(c2ccc(C(=O)NNC(=O)C3CC3)cc2[N+](=O)[O-])C1 C[C@H]1CCCN(C1)[*:1] O=C(NNC(=O)C1CC1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 O=S(=O)(NCc1ccco1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@@H]1c1nc2ccccc2[nH]1
O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 c1coc(c1)C[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCC[C@@H]1c1nc2ccccc2[nH]1
O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 c1coc(c1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)NC[*:1])N1CCC[C@@H]1c1nc2ccccc2[nH]1
O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)NCc1ccco1)N1CCC[C@H]1[*:1]
Cc1ccnc(NNC(=O)c2cnc(Cc3ccc(F)cc3)s2)c1 Cc1ccnc(c1)[*:1] O=C(NN[*:1])c1cnc(Cc2ccc(F)cc2)s1
Cc1ccnc(NNC(=O)c2cnc(Cc3ccc(F)cc3)s2)c1 Fc1ccc(cc1)C[*:1] Cc1ccnc(c1)NNC(=O)c1cnc(s1)[*:1]
Cc1ccnc(NNC(=O)c2cnc(Cc3ccc(F)cc3)s2)c1 Fc1ccc(cc1)[*:1] Cc1ccnc(c1)NNC(=O)c1cnc(C[*:1])s1
Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc([nH]c1=O)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1C c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])c1nnc(SCC(=O)N2CCc3ccccc32)n1C
CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1C O=C(N[*:1])c1ccccc1 CC(C)[C@@H](c1nnc(SCC(=O)N2CCc3ccccc32)n1C)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1C CC(C)[*:1] Cn1c(nnc1[C@H](NC(=O)c1ccccc1)[*:1])SCC(=O)N1CCc2ccccc21
COc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)NC(C)C Cc1cc(C)cc(c1)[*:1] COc1ccc(/C=C/C(=O)N[*:1])cc1S(=O)(=O)NC(C)C
COc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)NC(C)C CC(C)[*:1] COc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)N[*:1]
COc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)NC(C)C CC(C)NS(=O)(=O)[*:1] COc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1[*:1]
C#CCCOc1ccc(CNc2cc(OC)cc[nH+]2)cc1 C#CCC[*:1] COc1cc[nH+]c(c1)NCc1ccc(cc1)O[*:1]
C#CCCOc1ccc(CNc2cc(OC)cc[nH+]2)cc1 C#CCCO[*:1] COc1cc[nH+]c(c1)NCc1ccc(cc1)[*:1]
C#CCCOc1ccc(CNc2cc(OC)cc[nH+]2)cc1 C#CC[*:1] COc1cc[nH+]c(c1)NCc1ccc(cc1)OC[*:1]
Cc1n[nH]c(O)c1[C@H](c1cc(Br)c(C)c(Br)c1)c1c(O)n[nH]c1C Cc1n[nH]c(O)c1[*:1] Cc1[nH]nc(O)c1[C@@H](c1cc(Br)c(C)c(Br)c1)[*:1]
O=C(c1cccc2ccccc12)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(c1cccc2ccccc12)N(CCC[NH+]1CCOCC1)[*:1]
O=C(c1cccc2ccccc12)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1 c1ccc2c(cccc2c1)[*:1] O=C(N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1)[*:1]
O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ccc(Nc2ccccc2)cc1 Fc1ccc(cc1F)[*:1] O=C(CNC(=O)[*:1])Nc1ccc(cc1)Nc1ccccc1
O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)N[*:1] O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ccc(cc1)[*:1]
O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ccc(cc1)N[*:1]
CN(C(=O)Nc1ccc2c(c1)COC2)[C@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)Nc1ccc2COCc2c1)[C@H](c1ccccc1)[*:1]
CN(C(=O)Nc1ccc2c(c1)COC2)[C@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CN(C(=O)Nc1ccc2COCc2c1)[C@H](c1ccc(F)cc1)[*:1]
CN(C(=O)Nc1ccc2c(c1)COC2)[C@H](c1ccccc1)c1ccc(F)cc1 c1cc2COCc2cc1[*:1] CN(C(=O)N[*:1])[C@H](c1ccccc1)c1ccc(F)cc1
CCc1ocnc1C(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CCc1ocnc1C(=O)N1C[C@@H](NC(C)=O)[C@H](C1)[*:1]
CCc1ocnc1C(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccc(OC)cc2)C1 CC(=O)N[*:1] CCc1ocnc1C(=O)N1C[C@@H]([C@@H](C1)c1ccc(cc1)OC)[*:1]
CCc1ocnc1C(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccc(OC)cc2)C1 CCc1ocnc1[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1NC(C)=O)C(=O)[*:1]
CC(C)c1[nH]n([C@H]2CCC[C@H]2O)c(=O)c1Br CC(C)[*:1] O=c1c(Br)c([nH]n1[C@H]1CCC[C@H]1O)[*:1]
COc1ccc(C(=O)N/N=C/[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N/N=C/[C@H]1[C@H](C1(Cl)Cl)[*:1]
COc1ccc(C(=O)N/N=C/[C@H]2[C@H](c3ccccc3)C2(Cl)Cl)cc1 COc1ccc(cc1)[*:1] O=C(N/N=C/[C@H]1[C@H](c2ccccc2)C1(Cl)Cl)[*:1]
C/C=C/CCNc1ccc(C(=O)Nc2ccccc2)nn1 C/C=C/C[*:1] O=C(Nc1ccccc1)c1ccc(nn1)NC[*:1]
C/C=C/CCNc1ccc(C(=O)Nc2ccccc2)nn1 C/C=C/CCN[*:1] O=C(Nc1ccccc1)c1ccc(nn1)[*:1]
C/C=C/CCNc1ccc(C(=O)Nc2ccccc2)nn1 CC=C[*:1] O=C(Nc1ccccc1)c1ccc(nn1)NCC[*:1]
C/C=C/CCNc1ccc(C(=O)Nc2ccccc2)nn1 c1ccc(cc1)[*:1] C/C=C/CCNc1ccc(nn1)C(=O)N[*:1]
C/C=C/CCNc1ccc(C(=O)Nc2ccccc2)nn1 C/C=C/CC[*:1] O=C(Nc1ccccc1)c1ccc(nn1)N[*:1]
Cn1cccc1-c1csc(NC(=O)C2CCOCC2)n1 Cn1cccc1[*:1] O=C(Nc1nc(cs1)[*:1])C1CCOCC1
Cn1cccc1-c1csc(NC(=O)C2CCOCC2)n1 C1CC(CCO1)[*:1] Cn1cccc1-c1csc(n1)NC(=O)[*:1]
CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F Fc1ccccc1[*:1] CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CCOC(=O)c1c(C)[nH]c(CCC(=O)Nc2ccc(Br)c(C)c2)c1C CCOC(=O)[*:1] Cc1cc(ccc1Br)NC(=O)CCc1[nH]c(C)c(c1C)[*:1]
CCOC(=O)c1c(C)[nH]c(CCC(=O)Nc2ccc(Br)c(C)c2)c1C Cc1cc(ccc1Br)[*:1] CCOC(=O)c1c(C)[nH]c(CCC(=O)N[*:1])c1C
Cc1csc(Cn2c(C(F)(F)F)nc3ccccc32)n1 FC(F)(F)[*:1] Cc1csc(Cn2c(nc3ccccc32)[*:1])n1
Cc1csc(Cn2c(C(F)(F)F)nc3ccccc32)n1 Cc1csc(n1)[*:1] FC(F)(F)c1nc2ccccc2n1C[*:1]
O=C(Nc1ccn(-c2ncccc2Cl)n1)[C@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccn(n1)-c1ncccc1Cl)[C@H]1C[C@@H]1[*:1]
O=C(Nc1ccn(-c2ncccc2Cl)n1)[C@H]1C[C@H]1c1ccc(F)cc1 Clc1cccnc1[*:1] O=C(Nc1ccn(n1)[*:1])[C@H]1C[C@H]1c1ccc(F)cc1
CO[C@@H](CNC(=O)NC[C@H](O)c1ccccc1F)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@@H](CNC(=O)NC[C@H](O)c1ccccc1F)[*:1]
CO[C@@H](CNC(=O)NC[C@H](O)c1ccccc1F)c1cccc(Cl)c1 Fc1ccccc1[*:1] CO[C@@H](CNC(=O)NC[C@H](O)[*:1])c1cccc(Cl)c1
C[C@H](CC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)NC(=O)[*:1]
Cc1cc(NC(=O)[C@H](C)SCc2ncn(-c3ccccc3)n2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)SCc1ncn(n1)[*:1]
Cc1cc(NC(=O)[C@H](C)SCc2ncn(-c3ccccc3)n2)no1 Cc1cc(no1)[*:1] C[C@H](SCc1ncn(n1)-c1ccccc1)C(=O)N[*:1]
Cc1cc(C)c([C@H](Br)[C@H](C)c2ccccn2)c(C)c1 c1ccc(nc1)[*:1] Cc1cc(C)c(c(C)c1)[C@H](Br)[C@H](C)[*:1]
CC(C)(C)c1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1O CC(C)(C)[*:1] O=C(Nc1ccccc1[*:1])N[C@@H]1CCCC[C@H]1O
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2F)NC(=O)N1 Fc1ccccc1[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccccc1F)[*:1]
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2F)NC(=O)N1 Fc1ccccc1[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1ccccc1F
O=C([O-])CCCc1nc(-c2cccc(Cl)c2)no1 O=C([O-])[*:1] Clc1cccc(c1)-c1noc(CCC[*:1])n1
O=C([O-])CCCc1nc(-c2cccc(Cl)c2)no1 O=C([O-])CCC[*:1] Clc1cccc(c1)-c1noc(n1)[*:1]
O=C([O-])CCCc1nc(-c2cccc(Cl)c2)no1 O=C([O-])C[*:1] Clc1cccc(c1)-c1noc(CC[*:1])n1
O=C([O-])CCCc1nc(-c2cccc(Cl)c2)no1 O=C([O-])CC[*:1] Clc1cccc(c1)-c1noc(C[*:1])n1
CCc1cccc2c(CCNC(=O)Cc3ccc(C)c(O)c3)c[nH]c12 Cc1ccc(cc1O)[*:1] CCc1cccc2c(c[nH]c12)CCNC(=O)C[*:1]
CCOc1cc(/C=C2\S/C(=N/c3cccc(C)n3)N(C)C2=O)ccc1O Cc1cccc(n1)[*:1] CCOc1cc(/C=C2\SC(=N[*:1])N(C)C2=O)ccc1O
CCOc1cc(/C=C2\S/C(=N/c3cccc(C)n3)N(C)C2=O)ccc1O CCO[*:1] Cc1cccc(/N=C2/S/C(=C\c3ccc(O)c(c3)[*:1])C(=O)N2C)n1
COc1ncnc(N)c1CN1CCN(C(=O)c2sc3ccccc3c2C)CC1 COc1ncnc(N)c1[*:1] Cc1c(sc2ccccc12)C(=O)N1CCN(CC1)C[*:1]
CCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CCCCNC(=O)NNC(=O)c1cc(ccc1Cl)[*:1]
CCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1Cl CCC[*:1] O=C(NC[*:1])NNC(=O)c1cc(ccc1Cl)[N+](=O)[O-]
CCCCNC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1Cl CCCC[*:1] O=C(NNC(=O)c1cc(ccc1Cl)[N+](=O)[O-])N[*:1]
CC(C)N(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)[*:1]
CC(C)N(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C1CCC1 CC(C)[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)N(C1CCC1)[*:1]
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccccc1Cl c1ccc(cc1)[*:1] Cc1[nH]n(c(=O)c1[C@@H](C[N+](=O)[O-])c1ccccc1Cl)[*:1]
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccccc1Cl O=[N+]([O-])[*:1] Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[*:1])c1ccccc1Cl
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccccc1Cl Clc1ccccc1[*:1] Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])[*:1]
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccccc1Cl O=[N+]([O-])C[*:1] Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccccc1Cl)[*:1]
C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCO3)sc2C1 C1CO[C@H](C1)[*:1] C[C@@H]1CCc2nc(NC(=O)[*:1])sc2C1
COc1ccc(-c2csc(CN3CCN(C(=O)c4ccc(F)c(F)c4)CC3)n2)cc1 Fc1ccc(cc1F)[*:1] COc1ccc(cc1)-c1csc(CN2CCN(CC2)C(=O)[*:1])n1
COc1ccc(-c2csc(CN3CCN(C(=O)c4ccc(F)c(F)c4)CC3)n2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(F)c(F)c1)N1CCN(CC1)Cc1nc(cs1)[*:1]
NC(=O)C1([NH2+]CCn2cnc3ccccc3c2=O)CCCC1 NC(=O)[*:1] O=c1c2ccccc2ncn1CC[NH2+]C1(CCCC1)[*:1]
Cc1[nH+]c(N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)ccc1I C[C@H]1C[C@H]1[*:1] Cc1[nH+]c(ccc1I)N1CCN(CC1)C(=O)[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F Fc1cccc(F)c1[*:1] CCc1nn(C)cc1NC(=O)C(=O)N[C@@H]1C[C@H]1[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F CCc1nn(C)cc1[*:1] O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)C(=O)N[*:1]
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N CC(C)(C)[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(cc2)[*:1])n1N
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N C[C@@H]1CCCCN1C(=O)[*:1] CC(C)(C)c1ccc(cc1)-c1nnc(SC[*:1])n1N
Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)n1 O=S1(=O)CC[C@H](C1)[*:1] Cc1nc(C)n(n1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)n1 Cc1nc(C)n(n1)[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C1)[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](CC(N)=O)C1CCCCC1 NC(=O)C[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C1CCCCC1)[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](CC(N)=O)C1CCCCC1 NC(=O)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C[*:1])C1CCCCC1
Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](CC(N)=O)C1CCCCC1 C1CCC(CC1)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](CC(N)=O)[*:1]
N#C[C@@H](C(=O)CCc1cccc(Cl)c1Cl)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@@H](C(=O)CCc1cccc(Cl)c1Cl)[*:1]
Cc1ccc(NC(=O)Cc2nc(CN3CCC[C@@H]([NH+](C)C)C3)cs2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CCCN(Cc2csc(CC(=O)N[*:1])n2)C1
Cc1ccc(C)c(NC(=O)Cn2c([C@H](C)NC(=O)[C@H]3CCCO3)nc3ccccc32)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1CC(=O)N[*:1]
Oc1ccc(-c2nnc3n2N[C@@H](c2ccco2)S3)cc1 c1coc(c1)[*:1] Oc1ccc(cc1)-c1nnc2S[C@H](Nn21)[*:1]
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O c1ccc2cc(ccc2c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O)[*:1]
N#Cc1cccnc1N1CCC(CNC(=O)NC(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] N#Cc1cccnc1N1CCC(CC1)CNC(=O)NC(c1ccccc1)[*:1]
N#Cc1cccnc1N1CCC(CNC(=O)NC(c2ccccc2)c2ccccc2)CC1 N#Cc1cccnc1[*:1] O=C(NCC1CCN(CC1)[*:1])NC(c1ccccc1)c1ccccc1
CCc1n[nH]c(=S)n1CCNC(=O)C[C@@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCc1n[nH]c(=S)n1CCNC(=O)C[C@@H](O)[*:1]
Fc1cccc([C@@]2(C3CC3)CCC[NH2+]2)c1F C1CC1[*:1] Fc1cccc(c1F)[C@]1(CCC[NH2+]1)[*:1]
O=C(Oc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 c1ccc(cc1)[*:1] O=C(Oc1ccccc1[*:1])[C@H]1CC(=O)N(C1)CC(F)(F)F
O=C(Oc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(Oc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(Oc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(Oc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(Br)c(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccccc2)c1 COc1ccc(Br)c(c1)[*:1] O=C(N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1)[*:1]
COc1ccc(Br)c(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(Br)c(c1)C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
CCc1cccc(C)c1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O CCc1cccc(C)c1[*:1] O=C(N[*:1])c1ccc2C(=O)N(C(=O)c2c1)C1CCCCC1
CCc1cccc(C)c1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O C1CCC(CC1)[*:1] CCc1cccc(C)c1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CCOC(=O)CCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 CCOC(=O)CC[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCCCC1
CCOC(=O)CCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 CCOC(=O)[*:1] O=C(CC[*:1])Nc1ccc(cc1)C(=O)N1CCCCC1
CCOC(=O)CCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 CCOC(=O)C[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)N1CCCCC1
CCOC(=O)CCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] CCOC(=O)CCC(=O)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)Nc1ccc[nH+]c1N1CCCC1)c1ccccn1 C1CCN(C1)[*:1] C[C@H](NC(=O)Nc1ccc[nH+]c1[*:1])c1ccccn1
C[C@H](NC(=O)Nc1ccc[nH+]c1N1CCCC1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](NC(=O)Nc1ccc[nH+]c1N1CCCC1)[*:1]
C[C@@H](CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 Clc1cccc(c1)[*:1] C[C@@H](CC(=O)N[*:1])S(=O)(=O)c1ccc2S[C@H](C)C(=O)Nc2c1
COc1cccc([C@H]2C3=C(CCCC3=O)Nc3nnnn32)c1OC(C)C CC(C)[*:1] COc1cccc(c1O[*:1])[C@H]1C2C(=O)CCCC=2Nc2nnnn21
COc1cccc([C@H]2C3=C(CCCC3=O)Nc3nnnn32)c1OC(C)C CC(C)O[*:1] COc1cccc(c1[*:1])[C@H]1C2C(=O)CCCC=2Nc2nnnn21
COc1ccc2c(CN3CCOC[C@@H]3C(N)=O)cc(=O)oc2c1 NC(=O)[*:1] COc1ccc2c(cc(=O)oc2c1)CN1CCOC[C@H]1[*:1]
CC(C)C[C@H](C)[NH2+][C@H]1CCSc2ccccc21 CC(C)[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CCSc2ccccc21
CC(C)C[C@H](C)[NH2+][C@H]1CCSc2ccccc21 CC(C)C[*:1] C[C@H]([NH2+][C@H]1CCSc2ccccc21)[*:1]
CCC[C@H]1CC[C@H](C#N)[C@H](Sc2nc(C)cs2)C1 Cc1csc(n1)[*:1] CCC[C@H]1CC[C@H](C#N)[C@@H](C1)S[*:1]
CCC[C@H]1CC[C@H](C#N)[C@H](Sc2nc(C)cs2)C1 CCC[*:1] Cc1csc(n1)S[C@@H]1C[C@H](CC[C@@H]1C#N)[*:1]
CC[C@@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1ccc(C)c(F)c1 O=C(N[*:1])C1CC1 CC[C@@H](NC(=O)Cc1ccc(cc1)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)Cc1ccc(cc1)NC(=O)C1CC1)[*:1]
CC[C@@H](NC(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1ccc(C)c(F)c1 C1CC1[*:1] CC[C@@H](NC(=O)Cc1ccc(cc1)NC(=O)[*:1])c1ccc(C)c(F)c1
C[C@@H](NC(=O)NCc1ccncc1)c1nc(C(C)(C)C)no1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)NC[*:1])c1nc(no1)C(C)(C)C
C[C@@H](NC(=O)NCc1ccncc1)c1nc(C(C)(C)C)no1 c1cc(ccn1)C[*:1] C[C@@H](NC(=O)N[*:1])c1nc(no1)C(C)(C)C
C[C@@H](NC(=O)NCc1ccncc1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](NC(=O)NCc1ccncc1)c1nc(no1)[*:1]
COc1c2ccc(C(=O)Nc3cccc(Cl)c3)cc2nn1C Clc1cccc(c1)[*:1] COc1c2ccc(cc2nn1C)C(=O)N[*:1]
CCCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc(CC#N)cc1 CCC[*:1] Cc1nnc(S[C@H](C)C(=O)Nc2ccc(cc2)CC#N)n1[*:1]
CCCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] CCCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cn1ccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)n1 Cn1ccc(n1)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)N[*:1]
Cc1occc1C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 Cc1occc1[*:1] O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
Cc1occc1C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] Cc1occc1C(=O)N1CCC[C@H]1C(=O)OC[*:1]
Cc1occc1C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] Cc1occc1C(=O)N1CCC[C@H]1C(=O)O[*:1]
C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@]1(O)CCOC1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N(C)[*:1])[NH2+]C[C@@]1(O)CCOC1
Cc1nsnc1CSCC(=O)NC1CCCCCC1 Cc1nsnc1[*:1] O=C(CSC[*:1])NC1CCCCCC1
CCn1c(=O)c(N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)nc2cccnc21 c1ccc(cc1)C[*:1] CCn1c(=O)c(nc2cccnc21)N1CCC(CC1)C(=O)N[C@@H](C)C[*:1]
CCn1c(=O)c(N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)nc2cccnc21 C[C@@H](CCc1ccccc1)[*:1] CCn1c(=O)c(nc2cccnc21)N1CCC(CC1)C(=O)N[*:1]
CCn1c(=O)c(N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)nc2cccnc21 c1ccc(cc1)CC[*:1] CCn1c(=O)c(nc2cccnc21)N1CCC(CC1)C(=O)N[C@@H](C)[*:1]
CCn1c(=O)c(N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)nc2cccnc21 c1ccc(cc1)[*:1] CCn1c(=O)c(nc2cccnc21)N1CCC(CC1)C(=O)N[C@@H](C)CC[*:1]
COc1ccccc1O[C@H](C)C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)C1 COc1ccccc1O[*:1] Cc1cc2N[C@@H](C[C@H](C(F)F)n2n1)[C@H]1CCCN(C1)C(=O)[C@@H](C)[*:1]
COc1ccccc1O[C@H](C)C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)C1 COc1ccccc1[*:1] Cc1cc2N[C@@H](C[C@H](C(F)F)n2n1)[C@H]1CCCN(C1)C(=O)[C@@H](C)O[*:1]
COc1ccccc1O[C@H](C)C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)C1 FC(F)[*:1] COc1ccccc1O[C@H](C)C(=O)N1CCC[C@@H](C1)[C@@H]1C[C@H](n2nc(C)cc2N1)[*:1]
CC(C)CCNC(=O)c1ccc(Nc2ncccn2)cc1 c1cnc(nc1)N[*:1] CC(C)CCNC(=O)c1ccc(cc1)[*:1]
CC(C)CCNC(=O)c1ccc(Nc2ncccn2)cc1 CC(C)[*:1] O=C(NCC[*:1])c1ccc(cc1)Nc1ncccn1
CC(C)CCNC(=O)c1ccc(Nc2ncccn2)cc1 CC(C)C[*:1] O=C(NC[*:1])c1ccc(cc1)Nc1ncccn1
CC(C)CCNC(=O)c1ccc(Nc2ncccn2)cc1 CC(C)CC[*:1] O=C(N[*:1])c1ccc(cc1)Nc1ncccn1
CC(C)CCNC(=O)c1ccc(Nc2ncccn2)cc1 c1cnc(nc1)[*:1] CC(C)CCNC(=O)c1ccc(cc1)N[*:1]
N#C/C(=C1/SC[C@@H]([C@H]2CC=CC=C2Cl)S1)n1ccnc1 c1cn(cn1)[*:1] N#CC(=C1SC[C@H](S1)[C@H]1CC=CC=C1Cl)[*:1]
CCc1ccc(S(=O)(=O)N[C@H](C)CSC)s1 CSC[C@@H](C)[*:1] CCc1ccc(s1)S(=O)(=O)N[*:1]
CCc1ccc(S(=O)(=O)N[C@H](C)CSC)s1 CSC[*:1] CCc1ccc(s1)S(=O)(=O)N[C@H](C)[*:1]
CNC(=O)CC1CCN(C(=O)CCN(Cc2ccccc2)C(C)=O)CC1 c1ccc(cc1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)CCN(C[*:1])C(C)=O
CNC(=O)CC1CCN(C(=O)CCN(Cc2ccccc2)C(C)=O)CC1 CNC(=O)C[*:1] CC(=O)N(CCC(=O)N1CCC(CC1)[*:1])Cc1ccccc1
CNC(=O)CC1CCN(C(=O)CCN(Cc2ccccc2)C(C)=O)CC1 c1ccc(cc1)C[*:1] CNC(=O)CC1CCN(CC1)C(=O)CCN(C(C)=O)[*:1]
CNC(=O)CC1CCN(C(=O)CCN(Cc2ccccc2)C(C)=O)CC1 CNC(=O)[*:1] CC(=O)N(CCC(=O)N1CCC(CC1)C[*:1])Cc1ccccc1
COc1cccc(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] COc1cccc(c1)C(=O)NCc1ccc(OC)c(c1)[*:1]
C[C@H]1CN(C(=O)c2nc(C(C)(C)C)n[nH]2)C[C@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1nc(n[nH]1)[*:1]
Cc1cc(C(=O)C[C@@H]2S/C(=N\N=C\c3ccc(F)cc3)NC2=O)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C1N/C(=N/N=C/c2ccc(F)cc2)S[C@H]1CC(=O)[*:1]
Cc1cc(C(=O)C[C@@H]2S/C(=N\N=C\c3ccc(F)cc3)NC2=O)ccc1Cl Fc1ccc(cc1)[*:1] Cc1cc(ccc1Cl)C(=O)C[C@@H]1S/C(=N\N=C[*:1])NC1=O
CCc1ncc2c(n1)CN(c1nccc(NC(C)C)n1)C2 CC(C)[*:1] CCc1ncc2CN(Cc2n1)c1nccc(n1)N[*:1]
CCc1ncc2c(n1)CN(c1nccc(NC(C)C)n1)C2 CC(C)N[*:1] CCc1ncc2CN(Cc2n1)c1nccc(n1)[*:1]
COCCCNC(=O)C(=O)c1c[nH]c2ccccc12 COC[*:1] O=C(NCC[*:1])C(=O)c1c[nH]c2ccccc12
COCCCNC(=O)C(=O)c1c[nH]c2ccccc12 COCC[*:1] O=C(NC[*:1])C(=O)c1c[nH]c2ccccc12
COCCCNC(=O)C(=O)c1c[nH]c2ccccc12 COCCC[*:1] O=C(N[*:1])C(=O)c1c[nH]c2ccccc12
Cc1sc(Br)cc1S(=O)(=O)N(C)C/C(N)=N/O N/C(C[*:1])=N\O Cc1sc(Br)cc1S(=O)(=O)N(C)[*:1]
Cc1sc(Br)cc1S(=O)(=O)N(C)C/C(N)=N/O N/C(=N\O)[*:1] Cc1sc(Br)cc1S(=O)(=O)N(C)C[*:1]
COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)c1sc2ccccc2c1Cl N#CC(=C[*:1])C(N)=O COc1cc(ccc1OC(=O)c1sc2ccccc2c1Cl)[*:1]
COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)c1sc2ccccc2c1Cl NC(=O)[*:1] COc1cc(C=C(C#N)[*:1])ccc1OC(=O)c1sc2ccccc2c1Cl
C=CCNC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 C=CC[*:1] O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)N[*:1]
C=CCNC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 C=CCNC(=O)N[*:1] Clc1ccccc1[C@H](C[*:1])N1CCOCC1
C=CCNC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 C1CN(CCO1)[*:1] C=CCNC(=O)NC[C@@H](c1ccccc1Cl)[*:1]
C=CCNC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 Clc1ccccc1[*:1] C=CCNC(=O)NC[C@@H](N1CCOCC1)[*:1]
Fc1ccc(NC2CC[NH+](Cc3cccc4cn[nH]c34)CC2)cc1 Fc1ccc(cc1)[*:1] c1cc(C[NH+]2CCC(CC2)N[*:1])c2[nH]ncc2c1
Fc1ccc(NC2CC[NH+](Cc3cccc4cn[nH]c34)CC2)cc1 Fc1ccc(cc1)N[*:1] c1cc(C[NH+]2CCC(CC2)[*:1])c2[nH]ncc2c1
Cc1ccc(Cl)cc1NC(=S)N(Cc1ccco1)[C@H](C)c1ccco1 c1coc(c1)C[*:1] Cc1ccc(Cl)cc1NC(=S)N([C@H](C)c1ccco1)[*:1]
Cc1ccc(Cl)cc1NC(=S)N(Cc1ccco1)[C@H](C)c1ccco1 c1coc(c1)[*:1] Cc1ccc(Cl)cc1NC(=S)N(C[*:1])[C@H](C)c1ccco1
Cc1ccc(Cl)cc1NC(=S)N(Cc1ccco1)[C@H](C)c1ccco1 c1coc(c1)[*:1] Cc1ccc(Cl)cc1NC(=S)N(Cc1ccco1)[C@H](C)[*:1]
Cc1ccc(Cl)cc1NC(=S)N(Cc1ccco1)[C@H](C)c1ccco1 Cc1ccc(Cl)cc1[*:1] C[C@H](c1ccco1)N(Cc1ccco1)C(=S)N[*:1]
[O-][n+]1onc2c1CCc1c-2nc(-c2ccccc2)n1O c1ccc(cc1)[*:1] [O-][n+]1onc2-c3nc(n(O)c3CCc21)[*:1]
Cc1ccccc1CS(=O)(=O)Oc1c(C)cccc1C=O Cc1ccccc1[*:1] Cc1cccc(C=O)c1OS(=O)(=O)C[*:1]
Cc1ccc(C)c(OC2CCN(C[C@H](O)CN3CCOCC3)CC2)c1 C1CN(CCO1)[*:1] Cc1ccc(C)c(c1)OC1CCN(CC1)C[C@H](O)C[*:1]
Cc1ccc(C)c(OC2CCN(C[C@H](O)CN3CCOCC3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O[C@H](CN1CCOCC1)CN1CCC(CC1)O[*:1]
Cc1ccc(C)c(OC2CCN(C[C@H](O)CN3CCOCC3)CC2)c1 C1CN(CCO1)C[*:1] Cc1ccc(C)c(c1)OC1CCN(CC1)C[C@H](O)[*:1]
COCCn1/c(=N/C(=O)c2cc3ccccc3cc2OC)sc2cc(S(C)(=O)=O)ccc21 COCC[*:1] COc1cc2ccccc2cc1C(=O)/N=c1\sc2cc(ccc2n1[*:1])S(C)(=O)=O
COCCn1/c(=N/C(=O)c2cc3ccccc3cc2OC)sc2cc(S(C)(=O)=O)ccc21 COC[*:1] COc1cc2ccccc2cc1C(=O)/N=c1\sc2cc(ccc2n1C[*:1])S(C)(=O)=O
COCCn1/c(=N/C(=O)c2cc3ccccc3cc2OC)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] COCCn1/c(=N/C(=O)c2cc3ccccc3cc2OC)sc2cc(ccc21)[*:1]
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2ccccn2)cc1 CCCOc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1[*:1])c1ccc2OCCOc2c1
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2ccccn2)cc1 CCC[*:1] O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc(cc1)O[*:1])c1ccc2OCCOc2c1
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2ccccn2)cc1 c1cc2OCCOc2cc1[*:1] CCCOc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1ccccn1
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2ccccn2)cc1 CCCO[*:1] O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc(cc1)[*:1])c1ccc2OCCOc2c1
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2ccccn2)cc1 c1ccc(nc1)[*:1] CCCOc1ccc(cc1)[C@@H]1C(C(=O)c2ccc3OCCOc3c2)=C([O-])C(=O)N1[*:1]
C#CCN(CC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1 O=C([O-])C[*:1] C#CCN(C(=O)N1CCO[C@@H](C#N)C1)[*:1]
C#CCN(CC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1 C#CC[*:1] N#C[C@H]1CN(CCO1)C(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)N1CCO[C@@H](C#N)C1
CC[C@](C)(NC(=O)CCC(=O)c1ccc(F)c(F)c1)c1nccs1 Fc1ccc(cc1F)[*:1] CC[C@](C)(NC(=O)CCC(=O)[*:1])c1nccs1
CC[C@](C)(NC(=O)CCC(=O)c1ccc(F)c(F)c1)c1nccs1 c1csc(n1)[*:1] CC[C@](C)(NC(=O)CCC(=O)c1ccc(F)c(F)c1)[*:1]
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC#N)cc1 CC(C)[*:1] N#CCc1ccc(cc1)NC(=O)[C@@H](Oc1ccccc1C#N)[*:1]
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC#N)cc1 N#Cc1ccccc1[*:1] CC(C)[C@H](O[*:1])C(=O)Nc1ccc(cc1)CC#N
Cc1nc2cc(NC(=O)[C@@H]3CC34CCN(C(=O)[C@H]3CC(=O)c5ccccc53)CC4)ccc2s1 Cc1nc2cc(ccc2s1)[*:1] O=C1C[C@H](C(=O)N2CCC3(CC2)C[C@H]3C(=O)N[*:1])c2ccccc21
Cn1c(=O)cc(NCCCN2CCOCC2)n(Cc2ccc(F)cc2F)c1=O C1CN(CCO1)CC[*:1] Cn1c(=O)cc(NC[*:1])n(Cc2ccc(F)cc2F)c1=O
Cn1c(=O)cc(NCCCN2CCOCC2)n(Cc2ccc(F)cc2F)c1=O Fc1ccc(c(F)c1)[*:1] Cn1c(=O)cc(NCCCN2CCOCC2)n(C[*:1])c1=O
Cn1c(=O)cc(NCCCN2CCOCC2)n(Cc2ccc(F)cc2F)c1=O Fc1ccc(C[*:1])c(F)c1 Cn1c(=O)cc(NCCCN2CCOCC2)n(c1=O)[*:1]
Cn1c(=O)cc(NCCCN2CCOCC2)n(Cc2ccc(F)cc2F)c1=O C(CN1CCOCC1)C[*:1] Cn1c(=O)cc(N[*:1])n(Cc2ccc(F)cc2F)c1=O
Cn1c(=O)cc(NCCCN2CCOCC2)n(Cc2ccc(F)cc2F)c1=O C1CN(CCO1)C[*:1] Cn1c(=O)cc(NCC[*:1])n(Cc2ccc(F)cc2F)c1=O
Cn1c(=O)cc(NCCCN2CCOCC2)n(Cc2ccc(F)cc2F)c1=O C1CN(CCO1)[*:1] Cn1c(=O)cc(NCCC[*:1])n(Cc2ccc(F)cc2F)c1=O
N#CCc1ccc(NC(=O)CSc2ccc(Cl)nn2)cc1 N#CC[*:1] O=C(CSc1ccc(Cl)nn1)Nc1ccc(cc1)[*:1]
N#CCc1ccc(NC(=O)CSc2ccc(Cl)nn2)cc1 Clc1ccc(nn1)[*:1] N#CCc1ccc(cc1)NC(=O)CS[*:1]
Cn1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CC1 C1CC1[*:1] Cn1c(nnc1[*:1])SCc1cc(=O)n2ccsc2n1
CC1(C)CCCC[C@H]1[NH2+]C[C@H]1CN(C2CC2)CCO1 C1CC1[*:1] CC1(C)CCCC[C@H]1[NH2+]C[C@H]1CN(CCO1)[*:1]
COC(=O)[C@]1(CO)N[C@H](c2ccccc2C)[C@H]2C(=O)N(C)C(=O)[C@@H]21 Cc1ccccc1[*:1] COC(=O)[C@]1(CO)N[C@H]([C@H]2C(=O)N(C)C(=O)[C@@H]21)[*:1]
COC(=O)[C@]1(CO)N[C@H](c2ccccc2C)[C@H]2C(=O)N(C)C(=O)[C@@H]21 COC(=O)[*:1] Cc1ccccc1[C@H]1N[C@@](CO)([C@H]2C(=O)N(C)C(=O)[C@H]12)[*:1]
COc1cc(OC)cc(C(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1 Cc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)N1CCN(CC1)[C@H](C)c1nc(no1)[*:1])OC
COc1cc(OC)cc(C(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1 COc1cc(cc(c1)[*:1])OC Cc1ccc(cc1)-c1noc(n1)[C@@H](C)N1CCN(CC1)C(=O)[*:1]
COC(=O)Cn1/c(=N/C(=O)c2ccccc2C(=O)OC)sc2cc(F)ccc21 COC(=O)[*:1] COC(=O)Cn1/c(=N/C(=O)c2ccccc2[*:1])sc2cc(F)ccc21
COC(=O)Cn1/c(=N/C(=O)c2ccccc2C(=O)OC)sc2cc(F)ccc21 COC(=O)[*:1] COC(=O)c1ccccc1C(=O)/N=c1\sc2cc(F)ccc2n1C[*:1]
COC(=O)Cn1/c(=N/C(=O)c2ccccc2C(=O)OC)sc2cc(F)ccc21 COC(=O)C[*:1] COC(=O)c1ccccc1C(=O)/N=c1\sc2cc(F)ccc2n1[*:1]
Nc1c(C(=O)NC[C@H]2CCCCO2)cccc1C(F)(F)F C1CC[C@H](C[*:1])OC1 Nc1c(cccc1C(F)(F)F)C(=O)N[*:1]
Nc1c(C(=O)NC[C@H]2CCCCO2)cccc1C(F)(F)F FC(F)(F)[*:1] Nc1c(cccc1[*:1])C(=O)NC[C@H]1CCCCO1
Nc1c(C(=O)NC[C@H]2CCCCO2)cccc1C(F)(F)F C1CC[C@@H](OC1)[*:1] Nc1c(cccc1C(F)(F)F)C(=O)NC[*:1]
C[C@H](NC(=O)C[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C[NH+]1CCN(CC1)[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)C[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)C[NH+]1CCN(CC1)c1ccccc1)[*:1]
CC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 CC(=O)[*:1] CN1C(=O)C[C@H](C(=O)Nc2ccccc2[*:1])[C@H]1c1cccnc1
CC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 c1cncc(c1)[*:1] CC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1[*:1]
Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 Cc1ccc(s1)[*:1] O=S(=O)(c1ccc(cc1)N=C[*:1])N1CCOCC1
CO/N=C/c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 CON=C[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)C(=O)c1cccs1
CO/N=C/c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 c1csc(c1)[*:1] CO/N=C/c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[*:1]
COCCCCC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 COC[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)CCC[*:1]
COCCCCC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 COCCC[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)C[*:1]
COCCCCC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 COCCCC[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)[*:1]
COCCCCC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 COCC[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)CC[*:1]
COCCCCC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 NC(=O)[*:1] COCCCCC(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc2c(c1)COC2 C1CC1[*:1] Cc1ccc(cc1C(=O)Nc1ccc2COCc2c1)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc2c(c1)COC2 O=S(=O)(NC1CC1)[*:1] Cc1ccc(cc1C(=O)Nc1ccc2COCc2c1)[*:1]
COc1cc(/C=C/C(=O)N[C@@H](C)C(N)=O)cc(Cl)c1OC NC(=O)[*:1] COc1cc(/C=C/C(=O)N[C@@H](C)[*:1])cc(Cl)c1OC
COc1cc(/C=C/C(=O)N[C@@H](C)C(N)=O)cc(Cl)c1OC C[C@@H](C(N)=O)[*:1] COc1cc(/C=C/C(=O)N[*:1])cc(Cl)c1OC
Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cc(F)c(F)c(F)c1 Fc1cc(cc(F)c1F)[*:1] Cc1c(nn2c1N=C(O)C[C@H]2C(=O)N[*:1])-c1ccccc1
Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cc(F)c(F)c(F)c1 c1ccc(cc1)[*:1] Cc1c(nn2c1N=C(O)C[C@H]2C(=O)Nc1cc(F)c(F)c(F)c1)[*:1]
O=C([O-])CC[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 O=C([O-])[*:1] O[C@@H](C[NH2+]CC[*:1])Cn1c2ccccc2c2ccccc21
CC[C@@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccccc1OC(F)F FC(F)[*:1] CC[C@@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccccc1O[*:1]
CC[C@@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccccc1OC(F)F FC(F)O[*:1] CC[C@@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccccc1[*:1]
CCOc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]
CCOc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] CCOc1ccc(cc1)NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
CC(C)n1cc(NC(=O)c2c(F)cc(Br)cc2F)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)[*:1])c1c(F)cc(Br)cc1F
O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(NCc1nnnn1-c1ccc(F)c(F)c1)[*:1]
O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(Br)cc1 Fc1ccc(cc1F)[*:1] O=C(NCc1nnnn1[*:1])c1ccc(Br)cc1
O=C(Nc1cnn(CC(F)F)c1)N[C@H]1C[C@@H]1c1ccccc1 FC(F)C[*:1] O=C(Nc1cnn(c1)[*:1])N[C@H]1C[C@@H]1c1ccccc1
O=C(Nc1cnn(CC(F)F)c1)N[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)CC(F)F)N[C@H]1C[C@H]1[*:1]
O=C(Nc1cnn(CC(F)F)c1)N[C@H]1C[C@@H]1c1ccccc1 FC(F)[*:1] O=C(Nc1cnn(c1)C[*:1])N[C@H]1C[C@@H]1c1ccccc1
CCCOc1cccc([C@H]2C[NH+]=C(N)N2CCC)c1 CCC[*:1] CCCN1C(N)=[NH+]C[C@@H]1c1cccc(c1)O[*:1]
CCCOc1cccc([C@H]2C[NH+]=C(N)N2CCC)c1 CCC[*:1] CCCOc1cccc(c1)[C@H]1C[NH+]=C(N)N1[*:1]
CCCOc1cccc([C@H]2C[NH+]=C(N)N2CCC)c1 CCCO[*:1] CCCN1C(N)=[NH+]C[C@@H]1c1cccc(c1)[*:1]
COC(=O)C[C@H](NC(=O)Nc1ccc(Cl)c(F)c1)c1cccs1 c1csc(c1)[*:1] COC(=O)C[C@H](NC(=O)Nc1ccc(Cl)c(F)c1)[*:1]
COC(=O)C[C@H](NC(=O)Nc1ccc(Cl)c(F)c1)c1cccs1 COC(=O)C[*:1] O=C(Nc1ccc(Cl)c(F)c1)N[C@H](c1cccs1)[*:1]
COC(=O)C[C@H](NC(=O)Nc1ccc(Cl)c(F)c1)c1cccs1 COC(=O)[*:1] O=C(Nc1ccc(Cl)c(F)c1)N[C@@H](C[*:1])c1cccs1
Cc1ccc(-c2ncco2)cc1NC(=O)c1nc(Cl)ccc1Cl c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)c1nc(Cl)ccc1Cl)[*:1]
C[C@H](Nc1cccc(F)c1C(=O)[O-])c1cccc(Cl)c1 O=C([O-])[*:1] C[C@H](Nc1cccc(F)c1[*:1])c1cccc(Cl)c1
Cc1ccccc1-c1ncc(-c2nccn2[C@@H](C)C(N)=O)s1 Cc1ccccc1[*:1] C[C@@H](C(N)=O)n1ccnc1-c1cnc(s1)[*:1]
Cc1ccccc1-c1ncc(-c2nccn2[C@@H](C)C(N)=O)s1 NC(=O)[*:1] Cc1ccccc1-c1ncc(s1)-c1nccn1[C@@H](C)[*:1]
Cc1ccccc1-c1ncc(-c2nccn2[C@@H](C)C(N)=O)s1 C[C@@H](C(N)=O)[*:1] Cc1ccccc1-c1ncc(s1)-c1nccn1[*:1]
NC(=O)c1c[nH]nc1NC(=O)c1cccs1 c1csc(c1)[*:1] NC(=O)c1c[nH]nc1NC(=O)[*:1]
NC(=O)c1c[nH]nc1NC(=O)c1cccs1 NC(=O)[*:1] O=C(Nc1n[nH]cc1[*:1])c1cccs1
Cc1noc(CCNC(=O)N[C@H](CO)c2ccc(Cl)cc2)n1 Cc1noc(n1)[*:1] O=C(NCC[*:1])N[C@H](CO)c1ccc(Cl)cc1
Cc1noc(CCNC(=O)N[C@H](CO)c2ccc(Cl)cc2)n1 Cc1noc(C[*:1])n1 O=C(NC[*:1])N[C@H](CO)c1ccc(Cl)cc1
Cc1noc(CCNC(=O)N[C@H](CO)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1noc(CCNC(=O)N[C@H](CO)[*:1])n1
Cc1noc(C)c1CN(C)C(=O)NC[C@@H](C(C)C)N1CCOCC1 Cc1noc(C)c1C[*:1] CC(C)[C@H](CNC(=O)N(C)[*:1])N1CCOCC1
Cc1noc(C)c1CN(C)C(=O)NC[C@@H](C(C)C)N1CCOCC1 Cc1noc(C)c1[*:1] CC(C)[C@H](CNC(=O)N(C)C[*:1])N1CCOCC1
Cc1noc(C)c1CN(C)C(=O)NC[C@@H](C(C)C)N1CCOCC1 C1CN(CCO1)[*:1] Cc1noc(C)c1CN(C)C(=O)NC[C@@H](C(C)C)[*:1]
Cc1noc(C)c1CN(C)C(=O)NC[C@@H](C(C)C)N1CCOCC1 CC(C)[*:1] Cc1noc(C)c1CN(C)C(=O)NC[C@@H](N1CCOCC1)[*:1]
O=C(Cn1cnc2cc(F)ccc2c1=O)NCCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1cnc2cc(F)ccc2c1=O)NCCO[*:1]
O=C(Cn1cnc2cc(F)ccc2c1=O)NCCOc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] O=C(Cn1cnc2cc(F)ccc2c1=O)NCC[*:1]
O=C(OCC(F)(F)C(F)F)[C@@H]1CC=CC[C@H]1C(=O)n1nnc2ccccc21 FC(F)C(F)(F)C[*:1] O=C(O[*:1])[C@@H]1CC=CC[C@H]1C(=O)n1nnc2ccccc21
O=C(OCC(F)(F)C(F)F)[C@@H]1CC=CC[C@H]1C(=O)n1nnc2ccccc21 FC(F)[*:1] O=C(OCC(F)(F)[*:1])[C@@H]1CC=CC[C@H]1C(=O)n1nnc2ccccc21
O=C(OCC(F)(F)C(F)F)[C@@H]1CC=CC[C@H]1C(=O)n1nnc2ccccc21 FC(F)C(F)(F)[*:1] O=C(OC[*:1])[C@@H]1CC=CC[C@H]1C(=O)n1nnc2ccccc21
COc1ccccc1[C@@H](O)Cn1cc(C(=O)N[C@@H]2CCc3ccccc32)nn1 COc1ccccc1[*:1] O=C(N[C@@H]1CCc2ccccc21)c1cn(C[C@H](O)[*:1])nn1
COc1ccccc1[C@@H](O)Cn1cc(C(=O)N[C@@H]2CCc3ccccc32)nn1 c1ccc2c(c1)CC[C@H]2[*:1] COc1ccccc1[C@@H](O)Cn1cc(nn1)C(=O)N[*:1]
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@@H](C)N[C@H](C)c1ccc(C#N)cc1
Cc1ccccc1[C@H]1CN(C(=O)N[C@@H]2CCCc3c2cnn3C)[C@H](C)CO1 Cc1ccccc1[*:1] C[C@@H]1CO[C@H](CN1C(=O)N[C@@H]1CCCc2c1cnn2C)[*:1]
COC(=O)c1ccc([N+](=O)[O-])c(OCc2nnc(-c3ccccc3)o2)c1 c1ccc(cc1)[*:1] COC(=O)c1ccc(c(c1)OCc1nnc(o1)[*:1])[N+](=O)[O-]
COC(=O)c1ccc([N+](=O)[O-])c(OCc2nnc(-c3ccccc3)o2)c1 O=[N+]([O-])[*:1] COC(=O)c1ccc(c(c1)OCc1nnc(o1)-c1ccccc1)[*:1]
COC(=O)c1ccc([N+](=O)[O-])c(OCc2nnc(-c3ccccc3)o2)c1 COC(=O)[*:1] O=[N+]([O-])c1ccc(cc1OCc1nnc(o1)-c1ccccc1)[*:1]
O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[*:1]
O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(cc1)[*:1]
O=C(c1nn(-c2ccccc2)c2c1COC2)N1CCC(C(=O)N2CCCC2)CC1 c1ccc(cc1)[*:1] O=C(c1nn(c2COCc12)[*:1])N1CCC(CC1)C(=O)N1CCCC1
O=C(c1nn(-c2ccccc2)c2c1COC2)N1CCC(C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] O=C(c1nn(-c2ccccc2)c2COCc12)N1CCC(CC1)[*:1]
O=C(CCCn1ccnn1)N1CCC[C@@H]([NH+]2CCCC2)C1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCC[C@H](C1)[NH+]1CCCC1
O=C(CCCn1ccnn1)N1CCC[C@@H]([NH+]2CCCC2)C1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CCC[C@H](C1)[NH+]1CCCC1
O=C(CCCn1ccnn1)N1CCC[C@@H]([NH+]2CCCC2)C1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCC[C@H](C1)[NH+]1CCCC1
C#CCNC(=O)[C@H](C)S(=O)(=O)c1ccc(C(=O)[O-])cc1F O=C([O-])[*:1] C#CCNC(=O)[C@H](C)S(=O)(=O)c1ccc(cc1F)[*:1]
C#CCNC(=O)[C@H](C)S(=O)(=O)c1ccc(C(=O)[O-])cc1F C#CCNC(=O)[*:1] C[C@H](S(=O)(=O)c1ccc(cc1F)C(=O)[O-])[*:1]
C#CCNC(=O)[C@H](C)S(=O)(=O)c1ccc(C(=O)[O-])cc1F C#CC[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)c1ccc(cc1F)C(=O)[O-]
O=C(Cn1nc(-c2ccco2)ccc1=O)N=c1[nH]c2ccccc2[nH]1 c1coc(c1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N=c1[nH]c2ccccc2[nH]1
CC(C)C[C@H](C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl CC(C)C[*:1] [NH3+]C[C@H](C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])[*:1]
CC(C)C[C@H](C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CC(C)C[C@H](C[NH3+])C(=O)Nc1ccc(cc1Cl)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl CC(C)[*:1] [NH3+]C[C@@H](C[*:1])C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]
CNc1ccccc1C(=O)/N=C(/[NH-])Nc1nc(C)c2cc(C)ccc2n1 CNc1ccccc1[*:1] Cc1ccc2nc(nc(C)c2c1)N/C([NH-])=N\C(=O)[*:1]
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1 CC(C)[*:1] C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(cc1)[*:1])C(=O)NC(C)(C)C
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N[C@@H](C)C(=O)N[*:1]
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)[*:1] CC(C)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N[C@@H](C)[*:1]
COC[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3C)nn2)C1 Cc1ccccc1[*:1] COC[C@H]1CCCN(C1)C(=O)c1cn(C[*:1])nn1
COC[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3C)nn2)C1 COC[*:1] Cc1ccccc1Cn1cc(nn1)C(=O)N1CCC[C@@H](C1)[*:1]
COC[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3C)nn2)C1 Cc1ccccc1C[*:1] COC[C@H]1CCCN(C1)C(=O)c1cn(nn1)[*:1]
COc1ccc(SCCC(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 COc1ccc(cc1)[*:1] O=C(CCS[*:1])Nc1nnc(o1)-c1ccc2OCOc2c1
COc1ccc(SCCC(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 COc1ccc(cc1)S[*:1] O=C(CC[*:1])Nc1nnc(o1)-c1ccc2OCOc2c1
COc1ccc(SCCC(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)SCCC(=O)Nc1nnc(o1)[*:1]
COCC(=O)N(C[C@@H]1C=c2cc(OC)ccc2=[NH+]C1=O)c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] COCC(=O)N(C[C@@H]1C=c2cc(ccc2=[NH+]C1=O)OC)[*:1]
COCC(=O)N(C[C@@H]1C=c2cc(OC)ccc2=[NH+]C1=O)c1ccc(C)cc1C COC[*:1] COc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C(=O)[*:1])c1ccc(C)cc1C
COCc1c(Br)cccc1N[C@@H](C)c1ccoc1 COC[*:1] C[C@H](Nc1cccc(Br)c1[*:1])c1ccoc1
COCc1c(Br)cccc1N[C@@H](C)c1ccoc1 c1cc(co1)[*:1] COCc1c(Br)cccc1N[C@@H](C)[*:1]
C[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)O[*:1]
Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N3c4ccccc4C[C@@H]3C)c(C)c21 Cc1ccccc1[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)N1c2ccccc2C[C@@H]1C
CN(Cc1ccccc1F)C(=O)COc1ccccc1C(=O)Nc1ccccc1 Fc1ccccc1C[*:1] CN(C(=O)COc1ccccc1C(=O)Nc1ccccc1)[*:1]
CN(Cc1ccccc1F)C(=O)COc1ccccc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccccc1F)C(=O)COc1ccccc1C(=O)N[*:1]
CN(Cc1ccccc1F)C(=O)COc1ccccc1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] CN(Cc1ccccc1F)C(=O)COc1ccccc1[*:1]
CN(Cc1ccccc1F)C(=O)COc1ccccc1C(=O)Nc1ccccc1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)COc1ccccc1C(=O)Nc1ccccc1
Cc1cc(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)sc1C Cc1cc(sc1C)[*:1] C[NH+](C)[C@H](CNS(=O)(=O)[*:1])c1cccc(F)c1
Cc1cc(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)sc1C Fc1cccc(c1)[*:1] Cc1cc(sc1C)S(=O)(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1ccc(NCC(=O)N(C)C2CC2)cc1-n1cnnn1 CN(C(=O)[*:1])C1CC1 Cc1ccc(cc1-n1cnnn1)NC[*:1]
Cc1ccc(NCC(=O)N(C)C2CC2)cc1-n1cnnn1 C1CC1[*:1] Cc1ccc(cc1-n1cnnn1)NCC(=O)N(C)[*:1]
Cc1ccc(NCC(=O)N(C)C2CC2)cc1-n1cnnn1 c1nnnn1[*:1] Cc1ccc(cc1[*:1])NCC(=O)N(C)C1CC1
C[C@@H](Cc1ccsc1)N(C)C(=O)c1cc(-c2ccccc2)on1 c1cc(cs1)C[*:1] C[C@@H](N(C)C(=O)c1cc(on1)-c1ccccc1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)c1cc(-c2ccccc2)on1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N(C)C(=O)c1cc(on1)-c1ccccc1
C[C@@H](Cc1ccsc1)N(C)C(=O)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)c1cc(on1)[*:1]
CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 CC(C)C[*:1] CC1(C)COc2cc(ccc2N(C1=O)[*:1])NC(=O)c1ccc(F)c(F)c1
CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 Fc1ccc(cc1F)[*:1] CC(C)CN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)[*:1]
CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 CC(C)[*:1] CC1(C)COc2cc(ccc2N(C[*:1])C1=O)NC(=O)c1ccc(F)c(F)c1
CCc1csc(NC(=O)N[C@@H](C)CO)n1 C[C@@H](CO)[*:1] CCc1csc(n1)NC(=O)N[*:1]
CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 CC(=O)N[*:1] C[C@@H](C(=O)N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1)[*:1]
CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](C)C(=O)N1CCN(CC1)C(=O)C(c1ccccc1)[*:1]
Cc1sc(NC(=O)[C@@H](C)Oc2ccccc2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)[C@@H](C)Oc1ccccc1
Cc1sc(NC(=O)[C@@H](C)Oc2ccccc2)nc1-c1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)[C@@H](C)O[*:1]
Cc1sc(NC(=O)[C@@H](C)Oc2ccccc2)nc1-c1ccc(F)cc1 c1ccc(cc1)O[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)[C@@H](C)[*:1]
C#CCCN1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2)CC1 C#CCC[*:1] COC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
C#CCCN1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2)CC1 C#CC[*:1] COC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)C[*:1]
C#CCCN1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2)CC1 COC(=O)[*:1] C#CCCN1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
CCn1c(SCC(=O)N(C)C(C)C)nnc1-c1ccco1 CC(C)[*:1] CCn1c(nnc1-c1ccco1)SCC(=O)N(C)[*:1]
CCn1c(SCC(=O)N(C)C(C)C)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N(C)C(C)C
CCn1c(SCC(=O)N(C)C(C)C)nnc1-c1ccco1 CC(C)N(C)C(=O)[*:1] CCn1c(nnc1-c1ccco1)SC[*:1]
CCC1(CC)[C@@H](NC(=O)N[C@@H](CO)c2cnn(C)c2)[C@H](C)[C@@H]1OC Cn1cc(cn1)[*:1] CCC1(CC)[C@@H](NC(=O)N[C@@H](CO)[*:1])[C@H](C)[C@@H]1OC
O=C(Oc1cccc(Br)c1)C1=C(c2ccccc2)S(=O)(=O)CCO1 Brc1cccc(c1)[*:1] O=C(O[*:1])C1OCCS(=O)(=O)C=1c1ccccc1
O=C(Oc1cccc(Br)c1)C1=C(c2ccccc2)S(=O)(=O)CCO1 c1ccc(cc1)[*:1] O=C(Oc1cccc(Br)c1)C1OCCS(=O)(=O)C=1[*:1]
C[NH2+]C[C@@H](CC[C@@H]1CCCO1)c1ccccc1Br C1CO[C@@H](C1)C[*:1] C[NH2+]C[C@@H](C[*:1])c1ccccc1Br
C[NH2+]C[C@@H](CC[C@@H]1CCCO1)c1ccccc1Br C1CO[C@@H](C1)[*:1] C[NH2+]C[C@@H](CC[*:1])c1ccccc1Br
C[C@@H](C(=O)NN)[C@@H](C)N1CC[C@H]([NH+](C)C)C1 NNC(=O)[*:1] C[C@H]([C@H](C)[*:1])N1CC[C@@H](C1)[NH+](C)C
C[C@@H](NC(=O)CCCOc1cccnc1)c1ccc(Br)cc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)CCCO[*:1])c1ccc(Br)cc1
C[C@@H](NC(=O)CCCOc1cccnc1)c1ccc(Br)cc1 c1cncc(c1)O[*:1] C[C@@H](NC(=O)CCC[*:1])c1ccc(Br)cc1
C[C@@H](NC(=O)CCCOc1cccnc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCCOc1cccnc1)[*:1]
CC[C@H](C)N(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C CC[C@H](C)[*:1] CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[*:1]
CC[C@H](C)N(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C c1csc(c1)[*:1] CC[C@H](C)N(C)C(=O)NC[C@H]([NH+](C)C)[*:1]
CCCc1[nH+]ccn1CC[C@H]1CCC[C@@H]1[NH3+] CCC[*:1] [NH3+][C@H]1CCC[C@@H]1CCn1cc[nH+]c1[*:1]
CC[C@H](Cl)c1c(C)nn([C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1C CS(=O)(=O)[*:1] CC[C@H](Cl)c1c(C)nn(c1C)[C@@H]1CCC[C@H](C1)[*:1]
CC[C@H](Cl)c1c(C)nn([C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1C CC[C@H](Cl)[*:1] Cc1nn(c(C)c1[*:1])[C@@H]1CCC[C@@H](C1)S(C)(=O)=O
CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)Cc2ccccc21 O=[N+]([O-])[*:1] CN1CCN(Cc2ccccc21)C(=O)c1ccc(c(O)c1)[*:1]
C[C@@H]([C@H](C)C[NH2+]C(C)(C)C)N(C)Cc1cccc(Br)c1 CC(C)(C)[*:1] C[C@@H]([C@H](C)C[NH2+][*:1])N(C)Cc1cccc(Br)c1
CN1CN(c2ccc([N+](=O)[O-])cc2)N=N1 O=[N+]([O-])[*:1] CN1CN(N=N1)c1ccc(cc1)[*:1]
COc1cccc(C(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C=O)cc3)C2)c1OC COc1cccc(c1OC)[*:1] O=Cc1ccc(cc1)C(=O)N1CCC[C@@H](CNC(=O)[*:1])C1
COc1cccc(C(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C=O)cc3)C2)c1OC O=Cc1ccc(cc1)[*:1] COc1cccc(C(=O)NC[C@@H]2CCCN(C2)C(=O)[*:1])c1OC
COC[C@@H](Cl)CN(C)C[C@@H]1COc2ccccc21 COC[C@@H](Cl)C[*:1] CN(C[C@@H]1COc2ccccc21)[*:1]
COC[C@@H](Cl)CN(C)C[C@@H]1COc2ccccc21 COC[*:1] CN(C[C@H](Cl)[*:1])C[C@@H]1COc2ccccc21
COC[C@@H](Cl)CN(C)C[C@@H]1COc2ccccc21 COC[C@@H](Cl)[*:1] CN(C[C@@H]1COc2ccccc21)C[*:1]
Cc1nc(-c2c[nH]c(C(=O)NCc3cccnc3OC(C)C)c2)cs1 CC(C)[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)NCc1cccnc1O[*:1]
Cc1nc(-c2c[nH]c(C(=O)NCc3cccnc3OC(C)C)c2)cs1 CC(C)O[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)NCc1cccnc1[*:1]
Cc1nc(-c2c[nH]c(C(=O)NCc3cccnc3OC(C)C)c2)cs1 Cc1nc(cs1)[*:1] CC(C)Oc1ncccc1CNC(=O)c1cc(c[nH]1)[*:1]
O=[N+]([O-])c1c(Cl)ncnc1N1CCN(CCO)CC1 O=[N+]([O-])[*:1] OCCN1CCN(CC1)c1ncnc(Cl)c1[*:1]
O=[N+]([O-])c1c(Cl)ncnc1N1CCN(CCO)CC1 OCC[*:1] O=[N+]([O-])c1c(Cl)ncnc1N1CCN(CC1)[*:1]
O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cnc(-c2ccsc2)s1 c1cc(cs1)[*:1] O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cnc(s1)[*:1]
CCCn1nc(C(=O)NNC(=O)/C=C/c2cccc(-c3ccccc3)c2)c2ccccc2c1=O c1ccc(cc1)[*:1] CCCn1nc(C(=O)NNC(=O)/C=C/c2cccc(c2)[*:1])c2ccccc2c1=O
CCCn1nc(C(=O)NNC(=O)/C=C/c2cccc(-c3ccccc3)c2)c2ccccc2c1=O CCC[*:1] O=C(/C=C/c1cccc(c1)-c1ccccc1)NNC(=O)c1nn(c(=O)c2ccccc12)[*:1]
C[C@@H](NC(=O)Nc1cccc(N2CCCCCC2)c1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)N1CCCCCC1)C(=O)N[*:1]
C[C@@H](NC(=O)Nc1cccc(N2CCCCCC2)c1)C(=O)NC(C)(C)C C1CCCN(CC1)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)[*:1])C(=O)NC(C)(C)C
C[C@@H](NC(=O)Nc1cccc(N2CCCCCC2)c1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)N1CCCCCC1)[*:1]
CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)c1 CCOC(=O)[*:1] CCC(=O)N1CCc2cc(ccc21)S(=O)(=O)Nc1cccc(c1)[*:1]
O=C([O-])c1cc(Cl)ncc1-c1cccc(C(F)(F)F)c1 O=C([O-])[*:1] FC(F)(F)c1cccc(c1)-c1cnc(Cl)cc1[*:1]
O=C([O-])c1cc(Cl)ncc1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C([O-])c1cc(Cl)ncc1-c1cccc(c1)[*:1]
CC(C)Oc1ccc(NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] CC(C)Oc1ccc(cc1)NC(=O)[*:1]
CC(C)Oc1ccc(NC(=O)c2cccs2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cccs1
CC(C)Oc1ccc(NC(=O)c2cccs2)cc1 CC(C)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccs1
C[C@@H]([NH3+])Cc1ccc(OCCOc2ccc(Br)cc2)cn1 Brc1ccc(cc1)[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)OCCO[*:1]
O=C(CCSc1ncc[nH]1)Nc1cccc(Cl)c1 c1c[nH]c(n1)[*:1] O=C(CCS[*:1])Nc1cccc(Cl)c1
O=C(CCSc1ncc[nH]1)Nc1cccc(Cl)c1 c1c[nH]c(n1)S[*:1] O=C(CC[*:1])Nc1cccc(Cl)c1
CCC[C@@H]1CN(C(CC)CC)[C@H](C(C)(C)C)C[NH2+]1 CCC(CC)[*:1] CCC[C@@H]1CN([C@@H](C[NH2+]1)C(C)(C)C)[*:1]
CCC[C@@H]1CN(C(CC)CC)[C@H](C(C)(C)C)C[NH2+]1 CC(C)(C)[*:1] CCC[C@@H]1CN(C(CC)CC)[C@H](C[NH2+]1)[*:1]
CCC[C@@H]1CN(C(CC)CC)[C@H](C(C)(C)C)C[NH2+]1 CCC[*:1] CCC(CC)N1C[C@H]([NH2+]C[C@H]1C(C)(C)C)[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1Cl)[*:1]
Cc1cc(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)no1 Brc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)N1CCO[C@H](C1)[*:1]
Cc1cc(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])N1CCO[C@@H](C1)c1ccc(Br)cc1
Cc1cccc(O[C@H](C)C(=O)[O-])c1 O=C([O-])[*:1] Cc1cccc(c1)O[C@H](C)[*:1]
Cc1cc(C)c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c(C)c1 O=C(N[*:1])c1ccco1 Cc1cc(C)c(NC(=O)c2cccc(c2)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c(C)c1 c1coc(c1)[*:1] Cc1cc(C)c(NC(=O)c2cccc(c2)NC(=O)[*:1])c(C)c1
COc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cc1C[NH+]1CCCC1 c1cnn(c1)[*:1] COc1ccc(cc1C[NH+]1CCCC1)C(=O)Nc1cccc(c1)[*:1]
CCOc1ccc(N2CCN(C(=O)c3cccs3)[C@H](C)C2=O)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)N1CCN(C(=O)[*:1])[C@H](C)C1=O
CCOc1ccc(N2CCN(C(=O)c3cccs3)[C@H](C)C2=O)cc1 CCO[*:1] C[C@@H]1C(=O)N(CCN1C(=O)c1cccs1)c1ccc(cc1)[*:1]
C[C@H]1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)[C@H](C)C1 FC(F)(F)[*:1] C[C@H]1CCN(C(=O)Nc2cc(c[nH]c2=O)[*:1])[C@H](C)C1
C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N[C@H](C)c1ccc(cc1)S(C)(=O)=O
C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 Clc1cccc(c1)O[*:1] C[C@@H](NC(=O)[C@H](C)[*:1])c1ccc(cc1)S(C)(=O)=O
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 FC(F)(F)[*:1] CC1NC(=O)N[C@H](C=1C(=O)Nc1ccccc1[*:1])c1ccc(cc1)C(F)(F)F
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 FC(F)(F)c1ccccc1[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1ccc(cc1)C(F)(F)F
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 FC(F)(F)[*:1] CC1NC(=O)N[C@H](C=1C(=O)Nc1ccccc1C(F)(F)F)c1ccc(cc1)[*:1]
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 FC(F)(F)c1ccc(cc1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccccc1C(F)(F)F)[*:1]
O=C(Nc1nnc(CCc2ccccc2)s1)c1cccc(Br)c1 c1ccc(cc1)[*:1] O=C(Nc1nnc(CC[*:1])s1)c1cccc(Br)c1
O=C(Nc1nnc(CCc2ccccc2)s1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(Nc1nnc(CCc2ccccc2)s1)[*:1]
O=C(Nc1nnc(CCc2ccccc2)s1)c1cccc(Br)c1 c1ccc(cc1)C[*:1] O=C(Nc1nnc(C[*:1])s1)c1cccc(Br)c1
Cn1cc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c(=O)n(C)c1=O Cn1cc(c(=O)n(C)c1=O)[*:1] FC(F)(F)c1ccc2c(c1)nc(n2Cc1ccccc1)[*:1]
Cn1cc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c(=O)n(C)c1=O FC(F)(F)[*:1] Cn1cc(-c2nc3cc(ccc3n2Cc2ccccc2)[*:1])c(=O)n(C)c1=O
Cn1cc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c(=O)n(C)c1=O c1ccc(cc1)C[*:1] Cn1cc(-c2nc3cc(ccc3n2[*:1])C(F)(F)F)c(=O)n(C)c1=O
Cn1cc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c(=O)n(C)c1=O c1ccc(cc1)[*:1] Cn1cc(-c2nc3cc(ccc3n2C[*:1])C(F)(F)F)c(=O)n(C)c1=O
Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccccc1OC(C)C)CC(=O)N2 CC(C)O[*:1] Cc1nn(-c2ccc3nncn3n2)c2NC(=O)C[C@@H](c3ccccc3[*:1])c12
Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccccc1OC(C)C)CC(=O)N2 CC(C)[*:1] Cc1nn(-c2ccc3nncn3n2)c2NC(=O)C[C@@H](c3ccccc3O[*:1])c12
Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccccc1OC(C)C)CC(=O)N2 CC(C)Oc1ccccc1[*:1] Cc1nn(-c2ccc3nncn3n2)c2NC(=O)C[C@@H](c12)[*:1]
Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccccc1OC(C)C)CC(=O)N2 c1cc2nncn2nc1[*:1] Cc1nn(c2NC(=O)C[C@@H](c3ccccc3OC(C)C)c12)[*:1]
CN(CCO)C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 OCC[*:1] CN(C(=O)N[C@H]1C=C[C@H](C1)C(=O)[O-])[*:1]
CN(CCO)C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CN(CCO)C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1 C1CO[C@@H](C1)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Nc1ccc(cc1)S(=O)(=O)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1 C1CO[C@@H](C1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Nc1ccc(cc1)S(=O)(=O)C[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2=O)cc1F O=C1CCCN1C[*:1] Cc1ccc(cc1F)S(=O)(=O)N1CCCC[C@H]1C[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2=O)cc1F Cc1ccc(cc1F)[*:1] O=C1CCCN1CC[C@@H]1CCCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2=O)cc1F O=C1CCCN1CC[*:1] Cc1ccc(cc1F)S(=O)(=O)N1CCCC[C@@H]1[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2=O)cc1F O=C1CCCN1[*:1] Cc1ccc(cc1F)S(=O)(=O)N1CCCC[C@H]1CC[*:1]
CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)c1 CCO[*:1] C[C@H]([NH2+][C@H](C)c1cccc(c1)[*:1])c1ccc(F)cn1
CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)c1 Fc1ccc(nc1)[*:1] CCOc1cccc(c1)[C@@H](C)[NH2+][C@@H](C)[*:1]
O=C(Oc1ccc(-n2cnnn2)cc1)c1cccc(N2CCCC2=O)c1 c1nnnn1[*:1] O=C(Oc1ccc(cc1)[*:1])c1cccc(c1)N1CCCC1=O
O=C(Oc1ccc(-n2cnnn2)cc1)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(Oc1ccc(cc1)-n1cnnn1)c1cccc(c1)[*:1]
C[C@@H](CCC1CCCC1)[NH2+]Cc1cc[nH]c1 c1cc(c[nH]1)[*:1] C[C@@H](CCC1CCCC1)[NH2+]C[*:1]
C[C@@H](CCC1CCCC1)[NH2+]Cc1cc[nH]c1 C1CCC(C1)[*:1] C[C@@H](CC[*:1])[NH2+]Cc1cc[nH]c1
Fc1ccc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 Fc1ccc(cc1)[*:1] c1cc2OCCOc2cc1-c1nnc(o1)[*:1]
O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cnn(CC(F)F)c1 FC(F)C[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)Nc1cnn(c1)[*:1]
O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cnn(CC(F)F)c1 FC(F)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)Nc1cnn(c1)C[*:1]
O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cnn(CC(F)F)c1 C1CCN(C1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])Nc1cnn(c1)CC(F)F
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@@H]2CC(=O)Nc1cc(C)ccc1OC COc1ccc(C)cc1[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)N[*:1])c1-c1ccc(Cl)cc1
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@@H]2CC(=O)Nc1cc(C)ccc1OC Clc1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2cc(C)ccc2OC)c1[*:1]
CCCNC(=O)c1cc(C)nc2ccc(Cl)cc12 CCC[*:1] Cc1cc(C(=O)N[*:1])c2cc(Cl)ccc2n1
CCCNC(=O)c1cc(C)nc2ccc(Cl)cc12 CCCNC(=O)[*:1] Cc1cc(c2cc(Cl)ccc2n1)[*:1]
Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3cccnc32)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1c(=O)c(=O)n(C[*:1])c2ncccc21)N1CCN(CC1)c1ccccc1
Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3cccnc32)cc1 Cc1ccc(cc1)C[*:1] O=C(Cn1c(=O)c(=O)n(c2ncccc21)[*:1])N1CCN(CC1)c1ccccc1
Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c3cccnc32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1c(=O)c(=O)n(CC(=O)N2CCN(CC2)[*:1])c2cccnc21
Cn1cc(CCNC(=O)NCc2ccc(F)c(Cl)c2)cn1 Cn1cc(cn1)C[*:1] O=C(NCc1ccc(F)c(Cl)c1)NC[*:1]
Cn1cc(CCNC(=O)NCc2ccc(F)c(Cl)c2)cn1 Cn1cc(cn1)[*:1] O=C(NCC[*:1])NCc1ccc(F)c(Cl)c1
O=C([O-])CCc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1 Brc1ccc(cc1)[*:1] O=C([O-])CCc1cn(nc1-c1ccccc1)[*:1]
O=C([O-])CCc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1 O=C([O-])[*:1] Brc1ccc(cc1)-n1cc(CC[*:1])c(n1)-c1ccccc1
O=C([O-])CCc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CCc1cn(nc1[*:1])-c1ccc(Br)cc1
O=C([O-])CCc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1 O=C([O-])C[*:1] Brc1ccc(cc1)-n1cc(C[*:1])c(n1)-c1ccccc1
O=C([O-])CCc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1 O=C([O-])CC[*:1] Brc1ccc(cc1)-n1cc(c(n1)-c1ccccc1)[*:1]
O=C(Nc1ccccc1OC(F)F)c1ccc(OC[C@H]2CCCO2)cc1 FC(F)O[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)OC[C@H]1CCCO1
O=C(Nc1ccccc1OC(F)F)c1ccc(OC[C@H]2CCCO2)cc1 C1CO[C@H](C1)CO[*:1] O=C(Nc1ccccc1OC(F)F)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1OC(F)F)c1ccc(OC[C@H]2CCCO2)cc1 FC(F)[*:1] O=C(Nc1ccccc1O[*:1])c1ccc(cc1)OC[C@H]1CCCO1
COc1c(C(=O)NCc2ccc(C)cc2)sc2ccc(F)cc12 Cc1ccc(cc1)[*:1] COc1c(sc2ccc(F)cc12)C(=O)NC[*:1]
CCc1ccc(CC(=O)Nc2cnn(CC(C)C)c2)cc1 CC(C)C[*:1] CCc1ccc(cc1)CC(=O)Nc1cnn(c1)[*:1]
CCc1ccc(CC(=O)Nc2cnn(CC(C)C)c2)cc1 CC(C)[*:1] CCc1ccc(cc1)CC(=O)Nc1cnn(c1)C[*:1]
C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] C[C@@H](Sc1nncn1-c1ccccc1)C(=O)N[*:1]
C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl c1ccc(cc1)[*:1] C[C@@H](Sc1nncn1[*:1])C(=O)Nc1cccc(Cl)c1Cl
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1C O=[N+]([O-])[*:1] Cc1ccc(cc1[N-]S(=O)(=O)c1cc(F)ccc1C)[*:1]
N#Cc1c(NC(=O)Cn2ccc(C(F)(F)F)n2)sc2c1CCC2 FC(F)(F)[*:1] N#Cc1c(NC(=O)Cn2ccc(n2)[*:1])sc2CCCc21
COC(=O)[C@](O)(NC(=O)OCc1ccccc1)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@](O)(NC(=O)OCc1ccccc1)[*:1]
COC(=O)[C@](O)(NC(=O)OCc1ccccc1)C(F)(F)F COC(=O)[*:1] O=C(N[C@@](O)(C(F)(F)F)[*:1])OCc1ccccc1
COC(=O)[C@](O)(NC(=O)OCc1ccccc1)C(F)(F)F c1ccc(cc1)C[*:1] COC(=O)[C@](O)(NC(=O)O[*:1])C(F)(F)F
COC(=O)[C@](O)(NC(=O)OCc1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] COC(=O)[C@](O)(NC(=O)OC[*:1])C(F)(F)F
CCc1nn(C)cc1C(=O)NC[C@@H]1CCO[C@@H]1C(C)(C)C CC(C)(C)[*:1] CCc1nn(C)cc1C(=O)NC[C@@H]1CCO[C@H]1[*:1]
Cc1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2F)c(Cl)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)CNc2cc(ccc2F)[*:1])c(Cl)c1
O=C(CN1CCCCCCC1=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 O=C1CCCCCCN1[*:1] O=C(C[*:1])NCc1ccccc1-c1ccc(cc1)C[NH+]1CCCC1
O=C(CN1CCCCCCC1=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 O=C1CCCCCCN1C[*:1] O=C(NCc1ccccc1-c1ccc(cc1)C[NH+]1CCCC1)[*:1]
C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(-c2cccnc2)cc1 CC(C)(C)C(=O)N[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1cccnc1
C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(-c2cccnc2)cc1 CC(C)(C)C(=O)NC[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-c1cccnc1
C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(-c2cccnc2)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)CNC(=O)[*:1])c1ccc(cc1)-c1cccnc1
CC[C@H](NC(=O)Nc1cccc(NC(C)=O)c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H](NC(=O)Nc1cccc(c1)NC(C)=O)[*:1]
CC[C@H](NC(=O)Nc1cccc(NC(C)=O)c1)c1cccc(Cl)c1 CC(=O)N[*:1] CC[C@H](NC(=O)Nc1cccc(c1)[*:1])c1cccc(Cl)c1
O=C(NCc1cnn2ccccc12)c1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] O=C(NCc1cnn2ccccc12)c1cc(n[nH]1)[*:1]
C[C@@H]1CN(C(=O)CSc2nnc(NCc3ccccc3)s2)C[C@@H](C)O1 c1ccc(cc1)CN[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1nnc(s1)[*:1]
C[C@@H]1CN(C(=O)CSc2nnc(NCc3ccccc3)s2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1nnc(NC[*:1])s1
C[C@@H]1CN(C(=O)CSc2nnc(NCc3ccccc3)s2)C[C@@H](C)O1 c1ccc(cc1)C[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1nnc(N[*:1])s1
Cc1ccc(F)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 Cc1ccc(F)cc1[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)[*:1]
Cc1ccc(F)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] Cc1ccc(F)cc1C(=O)NC[C@H]1CN(CCO1)[*:1]
Cc1ccc(F)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] Cc1ccc(F)cc1C(=O)NC[C@H]1CN(CCO1)C[*:1]
O=C(c1ccccc1)N1CCCn2c1nc1ccccc1c2=O c1ccc(cc1)[*:1] O=C(N1CCCn2c1nc1ccccc1c2=O)[*:1]
O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc(Cl)c(c1)[*:1]
Cc1ccc2c(c1)CCN2C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccc2c(c1)CCN2C(=O)Nc1ccc(cc1)[*:1]
Cc1c(NC(=O)c2ccc(C3SCCS3)cc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(cc1)C1SCCS1
Cc1c(NC(=O)c2ccc(C3SCCS3)cc2)cccc1[N+](=O)[O-] C1CSC(S1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)c1ccc(cc1)[*:1]
CC(=O)N(C)CCCC(=O)N(C)Cc1ccc(Br)o1 Brc1ccc(o1)[*:1] CC(=O)N(C)CCCC(=O)N(C)C[*:1]
CC(=O)N(C)CCCC(=O)N(C)Cc1ccc(Br)o1 CC(=O)N(C)[*:1] CN(Cc1ccc(Br)o1)C(=O)CCC[*:1]
CC(=O)N(C)CCCC(=O)N(C)Cc1ccc(Br)o1 CC(=O)N(C)C[*:1] CN(Cc1ccc(Br)o1)C(=O)CC[*:1]
CC(C)[C@@H](CO)NC(=O)N[C@H]1CCC[C@H]1c1ccc(F)cc1 CC(C)[*:1] O=C(N[C@H]1CCC[C@H]1c1ccc(F)cc1)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)N[C@H]1CCC[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](CO)NC(=O)N[C@H]1CCC[C@@H]1[*:1]
CC(C)[C@@H](CO)NC(=O)N[C@H]1CCC[C@H]1c1ccc(F)cc1 CC(C)[C@@H](CO)[*:1] O=C(N[C@H]1CCC[C@H]1c1ccc(F)cc1)N[*:1]
N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(cc1)[*:1]
N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] N#C[C@H]([C@@H]1CCCN1Cc1ccc(cc1)[N+](=O)[O-])[*:1]
CCc1ccsc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 CCc1ccsc1[*:1] O=C(N1CCN(CC1)[C@H]1CCC[C@H]1O)[*:1]
Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H]2CCC[C@@H](O)C2)c1 Cc1cccc(c1)[*:1] O=C(CCn1c(n[nH]c1=S)[*:1])NC[C@@H]1CCC[C@@H](O)C1
Cc1c(OCC(=O)NCc2ccccn2)ccc2c3c(c(=O)oc12)CCC3 c1ccc(nc1)[*:1] Cc1c(ccc2c3CCCc3c(=O)oc12)OCC(=O)NC[*:1]
Cc1c(OCC(=O)NCc2ccccn2)ccc2c3c(c(=O)oc12)CCC3 c1ccc(C[*:1])nc1 Cc1c(ccc2c3CCCc3c(=O)oc12)OCC(=O)N[*:1]
CC(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 CC(C)NC(=O)C[*:1] O=C(N[*:1])c1cc(nc2c1cnn2Cc1cccc(F)c1)-c1ccccc1
CC(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 CC(C)[*:1] O=C(CNC(=O)c1cc(nc2c1cnn2Cc1cccc(F)c1)-c1ccccc1)N[*:1]
CC(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 CC(C)NC(=O)[*:1] O=C(NC[*:1])c1cc(nc2c1cnn2Cc1cccc(F)c1)-c1ccccc1
CC(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] CC(C)NC(=O)CNC(=O)c1cc(nc2c1cnn2[*:1])-c1ccccc1
CC(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 c1ccc(cc1)[*:1] CC(C)NC(=O)CNC(=O)c1cc(nc2c1cnn2Cc1cccc(F)c1)[*:1]
CC(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)NC(=O)CNC(=O)c1cc(nc2c1cnn2C[*:1])-c1ccccc1
CC(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 CC(C)NC(=O)CNC(=O)[*:1] Fc1cccc(c1)Cn1ncc2c(cc(nc21)-c1ccccc1)[*:1]
CCC(=O)c1ccn(C/C=C/Cl)c1 Cl/C=C/C[*:1] CCC(=O)c1ccn(c1)[*:1]
CCC(=O)c1ccn(C/C=C/Cl)c1 ClC=C[*:1] CCC(=O)c1ccn(c1)C[*:1]
CCC(=O)c1ccn(C/C=C/Cl)c1 CCC(=O)[*:1] Cl/C=C/Cn1ccc(c1)[*:1]
Cn1c(C(F)(F)F)nn(CC(=O)NCc2ccco2)c1=O c1coc(c1)[*:1] Cn1c(nn(CC(=O)NC[*:1])c1=O)C(F)(F)F
Cn1c(C(F)(F)F)nn(CC(=O)NCc2ccco2)c1=O FC(F)(F)[*:1] Cn1c(nn(CC(=O)NCc2ccco2)c1=O)[*:1]
Cn1c(C(F)(F)F)nn(CC(=O)NCc2ccco2)c1=O c1coc(c1)C[*:1] Cn1c(nn(CC(=O)N[*:1])c1=O)C(F)(F)F
CCOC(=O)C1=C(C)N=C(C)[C@@H]1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CCOC(=O)C1=C(C)N=C(C)[C@@H]1S(=O)(=O)[N-]c1ccc(cc1)[*:1]
CCOC(=O)C1=C(C)N=C(C)[C@@H]1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1 CCOC(=O)[*:1] CC1=NC(C)=C([C@H]1S(=O)(=O)[N-]c1ccc(cc1)S(N)(=O)=O)[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)cc1 c1ccc2oc(cc2c1)[*:1] Cc1ccc(cc1)NC(=O)CSc1nnc(n1C)[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)cc1 Cc1ccc(cc1)[*:1] Cn1c(nnc1-c1cc2ccccc2o1)SCC(=O)N[*:1]
Cc1nc(C(=O)NCCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cs1 Cc1nc(cs1)[*:1] O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCCNC(=O)[*:1]
CCC(=O)N1CCN(CCCSCc2ccccc2)CC1 c1ccc(cc1)[*:1] CCC(=O)N1CCN(CCCSC[*:1])CC1
CCC(=O)N1CCN(CCCSCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCC(=O)N1CCN(CCCS[*:1])CC1
CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 CCNS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)-c1ccccc1
CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] CCNS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CN1CCO[C@@H](CS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 O=C([O-])[*:1] CN1CCO[C@H](C1)CS(=O)(=O)c1ccc(o1)[*:1]
COC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)c1cnn(c1)Cc1ccccc1)[*:1]
COC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)C(N)=O COC[*:1] NC(=O)[C@@H](NC(=O)c1cnn(c1)Cc1ccccc1)[*:1]
COC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)C(N)=O c1ccc(cc1)[*:1] COC[C@H](NC(=O)c1cnn(c1)C[*:1])C(N)=O
COC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)C(N)=O c1ccc(cc1)C[*:1] COC[C@H](NC(=O)c1cnn(c1)[*:1])C(N)=O
CC(=O)c1ccc2c(c1)N(Cc1c(C)noc1C)C(=O)CO2 CC(=O)[*:1] Cc1noc(C)c1CN1C(=O)COc2ccc(cc21)[*:1]
CC(=O)c1ccc2c(c1)N(Cc1c(C)noc1C)C(=O)CO2 Cc1noc(C)c1[*:1] CC(=O)c1ccc2OCC(=O)N(C[*:1])c2c1
CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCC(=O)N(C)C CN(C)C(=O)[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCC[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCC(=O)N(C)C CCC[*:1] C[C@H]1CCCN(C(=O)NCCC(=O)N(C)C)[C@@H]1[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCC(=O)N(C)C CN(C)C(=O)C[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)NC[*:1]
Cc1csc(NC(=O)NCc2cccc(S(N)(=O)=O)c2)n1 NS(=O)(=O)[*:1] Cc1csc(n1)NC(=O)NCc1cccc(c1)[*:1]
Cc1csc(NC(=O)NCc2cccc(S(N)(=O)=O)c2)n1 Cc1csc(n1)[*:1] NS(=O)(=O)c1cccc(c1)CNC(=O)N[*:1]
Cc1ccc(NC(=O)c2csc(C#CCCO)c2)c(Cl)c1 OCCC#C[*:1] Cc1ccc(NC(=O)c2csc(c2)[*:1])c(Cl)c1
Cc1ccc(NC(=O)c2csc(C#CCCO)c2)c(Cl)c1 OCC[*:1] Cc1ccc(NC(=O)c2csc(C#C[*:1])c2)c(Cl)c1
c1ccc(-c2cc3c(ncn4c(-c5ccccc5)nnc34)s2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nnc2c3cc(sc3ncn12)[*:1]
c1ccc(-c2cc3c(ncn4c(-c5ccccc5)nnc34)s2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1cc2c(ncn3c(nnc23)[*:1])s1
Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)cc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)OCC(=O)N1CCC(=N1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N3CCC(c4ccccc4)=N3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(OCC(=O)N1CCC(=N1)c1ccccc1)c1ccc(cc1)[*:1]
N#C[C@@]1([C@H](O)c2ccccc2Br)COc2ccccc2C1 Brc1ccccc1[*:1] N#C[C@]1(COc2ccccc2C1)[C@H](O)[*:1]
CCCC[NH+]1CCc2nc[nH]c2C12CCN(C(=O)CN1CCOC1=O)CC2 O=C1OCCN1C[*:1] CCCC[NH+]1CCc2nc[nH]c2C12CCN(CC2)C(=O)[*:1]
CCCC[NH+]1CCc2nc[nH]c2C12CCN(C(=O)CN1CCOC1=O)CC2 CCCC[*:1] O=C(CN1CCOC1=O)N1CCC2(CC1)c1[nH]cnc1CC[NH+]2[*:1]
CCCC[NH+]1CCc2nc[nH]c2C12CCN(C(=O)CN1CCOC1=O)CC2 CCC[*:1] O=C(CN1CCOC1=O)N1CCC2(CC1)c1[nH]cnc1CC[NH+]2C[*:1]
CCCC[NH+]1CCc2nc[nH]c2C12CCN(C(=O)CN1CCOC1=O)CC2 O=C1OCCN1[*:1] CCCC[NH+]1CCc2nc[nH]c2C12CCN(CC2)C(=O)C[*:1]
CC(C)(C)c1n[nH]cc1C[NH2+][C@@H](CCO)c1cccs1 CC(C)(C)[*:1] OCC[C@H]([NH2+]Cc1c[nH]nc1[*:1])c1cccs1
CC(C)(C)c1n[nH]cc1C[NH2+][C@@H](CCO)c1cccs1 c1csc(c1)[*:1] CC(C)(C)c1n[nH]cc1C[NH2+][C@@H](CCO)[*:1]
CC(C)(C)c1n[nH]cc1C[NH2+][C@@H](CCO)c1cccs1 OCC[*:1] CC(C)(C)c1n[nH]cc1C[NH2+][C@@H](c1cccs1)[*:1]
O=C([O-])c1ccc(N[C@H]2OC(=O)c3ccccc32)cc1 O=C([O-])[*:1] O=C1O[C@H](Nc2ccc(cc2)[*:1])c2ccccc21
CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CC[NH3+] [NH3+]CC[*:1] CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2[*:1]
CCCCc1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccc(F)cc4)c(=O)c23)cc1 Fc1ccc(cc1)C[*:1] CCCCc1ccc(cc1)NC(=O)c1c(C)oc2ncn(c(=O)c12)[*:1]
CCCCc1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccc(F)cc4)c(=O)c23)cc1 CCC[*:1] Cc1oc2ncn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)Nc1ccc(cc1)C[*:1]
CCCCc1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccc(F)cc4)c(=O)c23)cc1 Fc1ccc(cc1)[*:1] CCCCc1ccc(cc1)NC(=O)c1c(C)oc2ncn(C[*:1])c(=O)c12
CCCCc1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccc(F)cc4)c(=O)c23)cc1 CCCC[*:1] Cc1oc2ncn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)Nc1ccc(cc1)[*:1]
CCCCc1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccc(F)cc4)c(=O)c23)cc1 CCCCc1ccc(cc1)[*:1] Cc1oc2ncn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)N[*:1]
CCn1cnnc1CNC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 CCn1cnnc1[*:1] C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NC[*:1])o1
Cc1cc(-n2nc(C)c(Cl)c2C)c([C@H](C)O)cc1F C[C@H](O)[*:1] Cc1cc(c(cc1F)[*:1])-n1nc(C)c(Cl)c1C
Cc1c(F)cccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 Cc1c(F)cccc1[*:1] O=C(CN1C(=O)COc2ccc(Cl)cc21)N[*:1]
Cc1cc(C(=O)Nc2ccnn2Cc2cccs2)ccc1[N+](=O)[O-] c1csc(c1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1ccnn1C[*:1]
Cc1cc(C(=O)Nc2ccnn2Cc2cccs2)ccc1[N+](=O)[O-] c1csc(c1)C[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1ccnn1[*:1]
Cc1cc(C(=O)Nc2ccnn2Cc2cccs2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)Nc1ccnn1Cc1cccs1
CC[C@](C)([C@@H]([NH3+])CC1CCC1)N1CCOCC1 C1CC(C1)[*:1] CC[C@](C)([C@@H]([NH3+])C[*:1])N1CCOCC1
CC[C@](C)([C@@H]([NH3+])CC1CCC1)N1CCOCC1 C1CC(C1)C[*:1] CC[C@](C)([C@@H]([NH3+])[*:1])N1CCOCC1
Cc1ccnc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1 Cc1ccnc(c1)[*:1] O=C(CCCNC(=O)c1ccc(Cl)cc1)N[*:1]
Cc1ccnc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccnc(c1)NC(=O)CCCNC(=O)[*:1]
N#CCc1n[nH]c(-c2ccc(Br)o2)n1 N#CC[*:1] Brc1ccc(o1)-c1nc(n[nH]1)[*:1]
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[*:1]
O=C(N[C@@H](C(=O)N/N=C\C=C\c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(N/N=C\C=C\c1ccccc1)[C@@H](c1n[nH]c(=O)c2ccccc12)[*:1]
O=C(N[C@@H](C(=O)N/N=C\C=C\c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 C(=C[*:1])c1ccccc1 O=C(N[C@@H](C(=O)NN=C[*:1])c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C(N[C@@H](C(=O)N/N=C\C=C\c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 O=c1[nH]nc(c2ccccc12)[*:1] O=C(N[C@@H](C(=O)N/N=C\C=C\c1ccccc1)[*:1])c1ccccc1
O=C(N[C@@H](C(=O)N/N=C\C=C\c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)N/N=C\C=C[*:1])c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C(N[C@@H](C(=O)N/N=C\C=C\c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C\C=C\c1ccccc1)[C@H](NC(=O)[*:1])c1n[nH]c(=O)c2ccccc12
Cc1cc(N)c(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2C)c1 C[C@H]1CCC[C@@H]1[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)N[*:1]
CCc1cc(C[C@H](C)[C@H](C)[NH2+]C2CC2)n(CC)n1 C1CC1[*:1] CCc1cc(C[C@H](C)[C@H](C)[NH2+][*:1])n(CC)n1
C[C@H]1C[C@@H](C)CN(C(=O)CSc2ccccc2S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CSc1ccccc1[*:1]
Brc1ccc2c(c1)[C@H]([NH2+]Cc1nncn1C1CC1)CCC2 C1CC1[*:1] Brc1ccc2CCC[C@@H]([NH2+]Cc3nncn3[*:1])c2c1
Cc1ccccc1[C@H]([NH2+]CCCO)C(C)C OCC[*:1] Cc1ccccc1[C@H]([NH2+]C[*:1])C(C)C
Cc1ccccc1[C@H]([NH2+]CCCO)C(C)C OCCC[*:1] Cc1ccccc1[C@H]([NH2+][*:1])C(C)C
Cc1ccccc1[C@H]([NH2+]CCCO)C(C)C CC(C)[*:1] Cc1ccccc1[C@H]([NH2+]CCCO)[*:1]
Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)N[*:1]
COc1ccc(/C=N/NC(=O)c2cc(N)cc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(/C=N/NC(=O)c2cc(N)cc(c2)[*:1])cc1
O=C(CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1)NC1CC1 c1ccc(cc1)C[*:1] O=C(CN1CCN(CC1)C(=O)c1cnn(c1)[*:1])NC1CC1
O=C(CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)C(=O)c1cnn(c1)Cc1ccccc1)N[*:1]
O=C(CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1)NC1CC1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)c1cnn(c1)C[*:1])NC1CC1
O=C(CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(c1cnn(c1)Cc1ccccc1)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(c1cnn(c1)Cc1ccccc1)N1CCN(CC1)C[*:1]
O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccc(Br)cc1)NC[*:1]
O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccc(F)cc1 Brc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])NCc1ccc(F)cc1
O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(Cn1nc(ccc1=O)-c1ccc(Br)cc1)N[*:1]
O=C(NC[C@@H](O)COCC1CC1)c1cc2c(s1)-c1ccccc1CC2 C1CC1[*:1] O=C(NC[C@@H](O)COC[*:1])c1cc2CCc3ccccc3-c2s1
O=C(NC[C@@H](O)COCC1CC1)c1cc2c(s1)-c1ccccc1CC2 C1CC1COC[*:1] O=C(NC[C@@H](O)[*:1])c1cc2CCc3ccccc3-c2s1
O=C(NC[C@@H](O)COCC1CC1)c1cc2c(s1)-c1ccccc1CC2 C1CC1CO[*:1] O=C(NC[C@@H](O)C[*:1])c1cc2CCc3ccccc3-c2s1
O=C(NC[C@@H](O)COCC1CC1)c1cc2c(s1)-c1ccccc1CC2 C1CC1C[*:1] O=C(NC[C@@H](O)CO[*:1])c1cc2CCc3ccccc3-c2s1
O=C(OCCCn1ccccc1=O)c1ccc(N2CCCC2)c(F)c1 C1CCN(C1)[*:1] O=C(OCCCn1ccccc1=O)c1ccc(c(F)c1)[*:1]
O=C(OCCCn1ccccc1=O)c1ccc(N2CCCC2)c(F)c1 O=c1ccccn1C[*:1] O=C(OCC[*:1])c1ccc(c(F)c1)N1CCCC1
O=C(OCCCn1ccccc1=O)c1ccc(N2CCCC2)c(F)c1 O=c1ccccn1[*:1] O=C(OCCC[*:1])c1ccc(c(F)c1)N1CCCC1
Cc1ccc(-c2nc(COC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1csc(n1)[*:1]
O=C1c2ccccc2C(=O)N1CCCOc1cccnc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C1c2ccccc2C(=O)N1CCCOc1cccnc1[*:1]
C[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c2ccccc2S1 c1ccc(cc1)C[*:1] C[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C2=O)[*:1])c2ccccc2S1
C[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c2ccccc2S1 c1ccc(cc1)[*:1] C[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C[*:1])C2=O)c2ccccc2S1
O=C(CSCC(F)(F)F)N[C@H]1C=CCCC1 FC(F)(F)C[*:1] O=C(CS[*:1])N[C@H]1C=CCCC1
O=C(CSCC(F)(F)F)N[C@H]1C=CCCC1 FC(F)(F)[*:1] O=C(CSC[*:1])N[C@H]1C=CCCC1
COC(CNC(=O)[C@H]1CC[C@@H](C[NH3+])O1)OC COC(OC)[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)NC[*:1]
COCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 COCC[*:1] Nc1c(C(=O)O[*:1])c2nc3ccccc3nc2n1Cc1ccccc1
COCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 COCCOC(=O)[*:1] Nc1c(c2nc3ccccc3nc2n1Cc1ccccc1)[*:1]
COCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 c1ccc(cc1)[*:1] COCCOC(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
COCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 c1ccc(cc1)C[*:1] COCCOC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
COCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 COC[*:1] Nc1c(C(=O)OC[*:1])c2nc3ccccc3nc2n1Cc1ccccc1
Cc1cc(C)n(-c2nc3ccc(N4CCCC[C@@H]4C)cc3s2)n1 C[C@H]1CCCCN1[*:1] Cc1cc(C)n(n1)-c1nc2ccc(cc2s1)[*:1]
Cc1cc(C)n(-c2nc3ccc(N4CCCC[C@@H]4C)cc3s2)n1 Cc1cc(C)n(n1)[*:1] C[C@H]1CCCCN1c1ccc2nc(sc2c1)[*:1]
Cc1cc(CNC(=O)C[C@H](C)CC(=O)[O-])cc(C)c1F O=C([O-])C[*:1] Cc1cc(cc(C)c1F)CNC(=O)C[C@H](C)[*:1]
Cc1cc(CNC(=O)C[C@H](C)CC(=O)[O-])cc(C)c1F O=C([O-])[*:1] Cc1cc(cc(C)c1F)CNC(=O)C[C@H](C)C[*:1]
O=C1[C@@H](Oc2ccccc2F)[C@H](c2cccnc2)N1c1ccccc1 Fc1ccccc1O[*:1] O=C1[C@@H]([C@H](c2cccnc2)N1c1ccccc1)[*:1]
O=C1[C@@H](Oc2ccccc2F)[C@H](c2cccnc2)N1c1ccccc1 Fc1ccccc1[*:1] O=C1[C@@H](O[*:1])[C@H](c2cccnc2)N1c1ccccc1
O=C1[C@@H](Oc2ccccc2F)[C@H](c2cccnc2)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](Oc2ccccc2F)[C@H](c2cccnc2)N1[*:1]
O=C1[C@@H](Oc2ccccc2F)[C@H](c2cccnc2)N1c1ccccc1 c1cncc(c1)[*:1] O=C1[C@@H](Oc2ccccc2F)[C@H](N1c1ccccc1)[*:1]
CC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(=O)[C@H]1CC(C)=C(C)C[C@H]1[*:1]
CC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] CC(=O)[*:1] CC1C[C@H](C(=O)[O-])[C@H](CC=1C)[*:1]
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(C)no1 Cc1cc(on1)[*:1] CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[*:1]
COC(=O)c1cc2c(oc1=O)CCCC2 COC(=O)[*:1] O=c1oc2CCCCc2cc1[*:1]
COc1ccc(-n2nc(C(=O)N3CCC[C@@H](CO)C3)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)N1CCC[C@@H](CO)C1
O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc2nsnc2c1 c1cc2nsnc2cc1[*:1] O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)[*:1]
O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc2nsnc2c1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCCc2c1cnn2C[*:1])c1ccc2nsnc2c1
O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc2nsnc2c1 c1ccc(cc1)C[*:1] O=C(N[C@@H]1CCCc2c1cnn2[*:1])c1ccc2nsnc2c1
O=C(COC[C@H]1CCCCO1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 C1CC[C@H](COC[*:1])OC1 O=C(N1CCC[C@@H](C1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F)[*:1]
O=C(COC[C@H]1CCCCO1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 C1CC[C@H](CO[*:1])OC1 O=C(C[*:1])N1CCC[C@@H](C1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F
O=C(COC[C@H]1CCCCO1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 C1CC[C@H](C[*:1])OC1 O=C(CO[*:1])N1CCC[C@@H](C1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F
O=C(COC[C@H]1CCCCO1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 FC(F)(F)[*:1] O=C(COC[C@H]1CCCCO1)N1CCC[C@@H](C1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
O=C(COC[C@H]1CCCCO1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 C1CC[C@@H](OC1)[*:1] O=C(COC[*:1])N1CCC[C@@H](C1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F
O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1I c1cn2cc(nc2s1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1I
O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1I Ic1ccccc1[*:1] O=C(Nc1cccc(c1)-c1cn2ccsc2n1)[*:1]
CC[NH2+][C@]1(CO)CCC[C@H](N(CC)c2ccccc2C)C1 Cc1ccccc1[*:1] CC[NH2+][C@]1(CO)CCC[C@@H](C1)N(CC)[*:1]
C[C@@H]1/C(=N/O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H]1/C(C[C@H](N[C@@H]1c1ccc(cc1)[*:1])c1ccc(cc1)[N+](=O)[O-])=N/O
C[C@@H]1/C(=N/O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@H]1/C(C[C@H](N[C@H]1[*:1])c1ccc(cc1)[N+](=O)[O-])=N/O
C[C@@H]1/C(=N/O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H]1/C(C[C@H](N[C@@H]1c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1])=N/O
C[C@@H]1/C(=N/O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@H]1/C(C[C@@H](N[C@@H]1c1ccc(cc1)[N+](=O)[O-])[*:1])=N/O
COC(=O)c1ccc(NC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)cc1 COC(=O)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] CNC(=O)c1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 CNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)C(F)(F)F
O=C(NNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1cccnc1 c1cncc(c1)[*:1] O=C(NNC(=O)[*:1])[C@H]1CCCN(C1)C(=O)c1cccc2ccccc12
O=C(NNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1cccnc1 c1ccc2c(cccc2c1)[*:1] O=C(NNC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1cccnc1
CSc1cccc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1 CC(C)[*:1] CSc1cccc(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
CSc1cccc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1 CC(C)C[*:1] CSc1cccc(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
CSc1cccc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1 CSc1cccc(c1)[*:1] CC(C)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
COc1c(Br)cc(Cl)cc1S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1c(Br)cc(Cl)cc1S(=O)(=O)Oc1cc(F)ccc1[*:1]
C[C@@H](O)c1ccc(F)cc1OCC(C)(C)C(=O)[O-] C[C@@H](O)[*:1] CC(C)(COc1cc(F)ccc1[*:1])C(=O)[O-]
C[C@@H](O)c1ccc(F)cc1OCC(C)(C)C(=O)[O-] O=C([O-])[*:1] C[C@@H](O)c1ccc(F)cc1OCC(C)(C)[*:1]
C[C@@H](O)c1ccc(F)cc1OCC(C)(C)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] C[C@@H](O)c1ccc(F)cc1OC[*:1]
CCOc1ccccc1NC(=O)CNc1ccc(C)cc1OC CCO[*:1] COc1cc(C)ccc1NCC(=O)Nc1ccccc1[*:1]
COc1ccc([N+](=O)[O-])cc1O O=[N+]([O-])[*:1] COc1ccc(cc1O)[*:1]
O=C(Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1)N1CCOCC1 c1ccc(cc1)CO[*:1] O=C(Cn1nnc(n1)-c1ccc(cc1)[*:1])N1CCOCC1
O=C(Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)-c1ccc(cc1)OC[*:1])N1CCOCC1
O=C(Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 c1ccc(cc1)COc1ccc(cc1)-c1nnn(n1)[*:1]
O=C(Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1ccc(cc1)COc1ccc(cc1)-c1nnn(C[*:1])n1
O=C(Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1)N1CCOCC1 c1ccc(cc1)C[*:1] O=C(Cn1nnc(n1)-c1ccc(cc1)O[*:1])N1CCOCC1
Cc1cc(NC(=O)c2coc(NC(=O)c3cccs3)n2)sn1 Cc1cc(sn1)[*:1] O=C(N[*:1])c1coc(n1)NC(=O)c1cccs1
Cc1cc(NC(=O)c2coc(NC(=O)c3cccs3)n2)sn1 c1csc(c1)[*:1] Cc1cc(NC(=O)c2coc(n2)NC(=O)[*:1])sn1
CCn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)NC(=O)NCc1ccccc1
CCn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] CCn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)NC(=O)N[*:1]
CCn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CCn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)NC(=O)NC[*:1]
CCCS(=O)(=O)N1CCC([NH2+][C@H]2CSCC(C)(C)C2)CC1 CCC[*:1] CC1(C)CSC[C@@H](C1)[NH2+]C1CCN(CC1)S(=O)(=O)[*:1]
C=CCNC(=O)COCC(=O)Nc1ccc(F)cc1 C=CCNC(=O)[*:1] O=C(COC[*:1])Nc1ccc(F)cc1
C=CCNC(=O)COCC(=O)Nc1ccc(F)cc1 C=CC[*:1] O=C(COCC(=O)N[*:1])Nc1ccc(F)cc1
CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2)C1(C)C CCC[*:1] CN(C(=O)c1cnn(C)c1)[C@@H]1C[C@@H](OC[*:1])C1(C)C
CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2)C1(C)C Cn1cc(cn1)[*:1] CCCCO[C@@H]1C[C@@H](N(C)C(=O)[*:1])C1(C)C
CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2)C1(C)C CCCC[*:1] CN(C(=O)c1cnn(C)c1)[C@@H]1C[C@@H](O[*:1])C1(C)C
CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2)C1(C)C CCCCO[*:1] CN(C(=O)c1cnn(C)c1)[C@@H]1C[C@H](C1(C)C)[*:1]
CC(C)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 CC(C)[*:1] [NH3+][C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CC(C)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[C@@H]([NH3+])c1cccc(c1)[*:1]
CN(Cc1ncnn1C)C(=O)CSCc1cc(-c2cccs2)on1 c1csc(c1)[*:1] CN(Cc1ncnn1C)C(=O)CSCc1cc(on1)[*:1]
CN(Cc1ncnn1C)C(=O)CSCc1cc(-c2cccs2)on1 Cn1ncnc1[*:1] CN(C[*:1])C(=O)CSCc1cc(on1)-c1cccs1
CN(Cc1ncnn1C)C(=O)CSCc1cc(-c2cccs2)on1 Cn1ncnc1C[*:1] CN(C(=O)CSCc1cc(on1)-c1cccs1)[*:1]
CC[C@@](C)(NC(=O)CCCc1ccc(C)s1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@](C)(NC(=O)CCCc1ccc(C)s1)[*:1]
CC[C@@](C)(NC(=O)CCCc1ccc(C)s1)c1nc(C)cs1 Cc1ccc(C[*:1])s1 CC[C@@](C)(NC(=O)CC[*:1])c1nc(C)cs1
CC[C@@](C)(NC(=O)CCCc1ccc(C)s1)c1nc(C)cs1 Cc1ccc(s1)[*:1] CC[C@@](C)(NC(=O)CCC[*:1])c1nc(C)cs1
CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2SCCc3ccccc32)C1 CC(=O)N[*:1] O=C([C@@H]1SCCc2ccccc21)N1CCC[C@H](C1)[*:1]
COc1ccnc(N[C@H](CO)[C@@H](C)c2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccnc(n1)N[C@H](CO)[C@@H](C)[*:1]
Cn1c(=O)c2[nH]c(CN(CCCO)c3ccccc3)nc2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2[nH]c(CN(CCCO)[*:1])nc2n(C)c1=O
Cn1c(=O)c2[nH]c(CN(CCCO)c3ccccc3)nc2n(C)c1=O OCCC[*:1] Cn1c(=O)c2[nH]c(CN(c3ccccc3)[*:1])nc2n(C)c1=O
Cn1c(=O)c2[nH]c(CN(CCCO)c3ccccc3)nc2n(C)c1=O OCC[*:1] Cn1c(=O)c2[nH]c(CN(C[*:1])c3ccccc3)nc2n(C)c1=O
C=C(C)COCC[NH2+][C@H](C)c1ccc(C)cc1 C=C(C)CO[*:1] Cc1ccc(cc1)[C@@H](C)[NH2+]CC[*:1]
C=C(C)COCC[NH2+][C@H](C)c1ccc(C)cc1 C=C(C)[*:1] Cc1ccc(cc1)[C@@H](C)[NH2+]CCOC[*:1]
C=C(C)COCC[NH2+][C@H](C)c1ccc(C)cc1 C=C(C)C[*:1] Cc1ccc(cc1)[C@@H](C)[NH2+]CCO[*:1]
CC(=O)c1ccc(NC(=O)c2cc(C#N)cn2C)cc1 CC(=O)[*:1] Cn1cc(C#N)cc1C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)C1=C(C(F)(F)F)N=C2[N-]C=NN2[C@@H]1c1cc(OC)ccc1OC CCOC(=O)[*:1] COc1ccc(OC)c(c1)[C@@H]1C(=C(N=C2[N-]C=NN21)C(F)(F)F)[*:1]
CCOC(=O)C1=C(C(F)(F)F)N=C2[N-]C=NN2[C@@H]1c1cc(OC)ccc1OC FC(F)(F)[*:1] CCOC(=O)C1=C(N=C2[N-]C=NN2[C@@H]1c1cc(ccc1OC)OC)[*:1]
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)NCc1cccs1 c1csc(c1)C[*:1] O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)N[*:1]
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)NCc1cccs1 c1csc(c1)[*:1] O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)NC[*:1]
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)NCc1cccs1 O=C(NCc1cccs1)[*:1] O=C(OC[*:1])c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)NCc1cccs1 O=C(C[*:1])NCc1cccs1 O=C(O[*:1])c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
O=C(NC[C@H]1COC2(CCCCC2)O1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NC[C@H]1COC2(CCCCC2)O1)[*:1]
O=C1CCN(CCOc2ccccc2F)c2ccc(F)cc2N1 Fc1ccccc1[*:1] O=C1CCN(CCO[*:1])c2ccc(F)cc2N1
O=C(Nc1ccc(O)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br Oc1ccc(cc1)[*:1] O=C(N[*:1])/C(=C/c1cccc(c1)[N+](=O)[O-])NC(=O)c1ccccc1Br
O=C(Nc1ccc(O)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br O=C(N[*:1])c1ccccc1Br O=C(Nc1ccc(O)cc1)C(=Cc1cccc(c1)[N+](=O)[O-])[*:1]
O=C(Nc1ccc(O)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1ccc(O)cc1)C(=C[*:1])NC(=O)c1ccccc1Br
O=C(Nc1ccc(O)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br Brc1ccccc1[*:1] O=C(Nc1ccc(O)cc1)/C(=C/c1cccc(c1)[N+](=O)[O-])NC(=O)[*:1]
O=C(Nc1ccc(O)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br O=C(Nc1ccc(O)cc1)[*:1] O=C(N/C(=C\c1cccc(c1)[N+](=O)[O-])[*:1])c1ccccc1Br
O=C(Nc1ccc(O)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br O=[N+]([O-])[*:1] O=C(Nc1ccc(O)cc1)/C(=C/c1cccc(c1)[*:1])NC(=O)c1ccccc1Br
O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)[*:1]
O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1ccc(F)cc1
O=C(NC[C@@H]1C[C@@H]1c1ccccc1)NOC1CCCC1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1C[C@H]1[*:1])NOC1CCCC1
O=C(NC[C@@H]1C[C@@H]1c1ccccc1)NOC1CCCC1 C1CCC(C1)[*:1] O=C(NC[C@@H]1C[C@@H]1c1ccccc1)NO[*:1]
CCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]c(=O)c2C#N)cc1 CCOc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-c1cc(c(C#N)c(=O)[nH]1)[*:1]
CCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]c(=O)c2C#N)cc1 CCO[*:1] COc1cc(cc(OC)c1OC)-c1cc(-c2ccc(cc2)[*:1])c(C#N)c(=O)[nH]1
Cc1cccc(-c2nnc([C@@H](C)N3CCn4c(C)nnc4C3)o2)c1 Cc1cccc(c1)[*:1] Cc1nnc2CN(CCn12)[C@H](C)c1nnc(o1)[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(C(=O)Nc2cnccc2C)cc1 COC(=O)[*:1] Cc1ccncc1NC(=O)c1ccc(cc1)CN1C[C@H](O)C[C@H]1[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(C(=O)Nc2cnccc2C)cc1 Cc1ccncc1[*:1] COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(cc1)C(=O)N[*:1]
Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cccc(Cl)c1-n1cccn1 c1cnn(c1)[*:1] Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cccc(Cl)c1[*:1]
CCCC(=O)N1CCC[C@H](C(=O)N[C@H](CC)c2ccc(C)c(F)c2)C1 Cc1ccc(cc1F)[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)N[C@H](CC)[*:1]
CCCC(=O)N1CCC[C@H](C(=O)N[C@H](CC)c2ccc(C)c(F)c2)C1 CCC[*:1] CC[C@@H](NC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1ccc(C)c(F)c1
COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)[*:1]
COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1ccc(cc1)[*:1]
CCc1ccc(CN(C(=O)c2nccn3ccnc23)C2CC2)cc1 CCc1ccc(cc1)[*:1] O=C(c1nccn2ccnc12)N(C[*:1])C1CC1
CCc1ccc(CN(C(=O)c2nccn3ccnc23)C2CC2)cc1 C1CC1[*:1] CCc1ccc(cc1)CN(C(=O)c1nccn2ccnc12)[*:1]
COc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3ccc4ccccc4c3)s2)cc1 COc1ccc(cc1)[*:1] O=C(/C=c1\[nH]c(=O)/c(=C\c2ccc3ccccc3c2)s1)[*:1]
O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC(OCCCO)CC1 OCCCO[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC(CC1)[*:1]
O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC(OCCCO)CC1 OCCC[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC(CC1)O[*:1]
O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC(OCCCO)CC1 OCC[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCC(CC1)OC[*:1]
C[C@@H]1C[C@H](OCC(=O)N(C)CCC[NH3+])CC(C)(C)C1 [NH3+]CCC[*:1] C[C@@H]1C[C@@H](CC(C)(C)C1)OCC(=O)N(C)[*:1]
C[C@@H]1C[C@H](OCC(=O)N(C)CCC[NH3+])CC(C)(C)C1 [NH3+]CC[*:1] C[C@@H]1C[C@@H](CC(C)(C)C1)OCC(=O)N(C)C[*:1]
O=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 O=c1[nH]c2ccccc2n1[*:1] O=C(c1ccc(cc1)S(=O)(=O)Nc1ccccc1F)N1CCC(CC1)[*:1]
O=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 O=S(=O)(Nc1ccccc1F)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
O=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 Fc1ccccc1[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
COc1ccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)c(C(=O)[O-])c1OC O=C([O-])[*:1] COc1ccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)c(c1OC)[*:1]
O=C(CSc1cccc[n+]1[O-])Nc1ccc2nc(C3CC3)sc2c1 C1CC1[*:1] O=C(CSc1cccc[n+]1[O-])Nc1ccc2nc(sc2c1)[*:1]
O=C(CSc1cccc[n+]1[O-])Nc1ccc2nc(C3CC3)sc2c1 [O-][n+]1ccccc1[*:1] O=C(CS[*:1])Nc1ccc2nc(sc2c1)C1CC1
O=C(CSc1cccc[n+]1[O-])Nc1ccc2nc(C3CC3)sc2c1 [O-][n+]1ccccc1S[*:1] O=C(C[*:1])Nc1ccc2nc(sc2c1)C1CC1
O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(COc1ccc(cc1)-c1ccccc1)NNC(=O)N[*:1]
O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)Nc1ccc(F)cc1F c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)[*:1])NNC(=O)Nc1ccc(F)cc1F
Cc1nn(C)c(Cl)c1S(=O)(=O)NC(C)(C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn(C)c(Cl)c1S(=O)(=O)NC(C)(C)[*:1]
C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2nc(N3CCCCC3)sc2c1=O C=CC[*:1] Cc1ccc(cc1)NC(=O)CSc1nc2nc(sc2c(=O)n1[*:1])N1CCCCC1
C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2nc(N3CCCCC3)sc2c1=O Cc1ccc(cc1)[*:1] C=CCn1c(nc2nc(sc2c1=O)N1CCCCC1)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2nc(N3CCCCC3)sc2c1=O Cc1ccc(cc1)NC(=O)[*:1] C=CCn1c(nc2nc(sc2c1=O)N1CCCCC1)SC[*:1]
C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2nc(N3CCCCC3)sc2c1=O C1CCN(CC1)[*:1] C=CCn1c(nc2nc(sc2c1=O)[*:1])SCC(=O)Nc1ccc(C)cc1
Cc1ccccc1NC(=O)C1(c2ccccc2)CCCC1 Cc1ccccc1[*:1] O=C(N[*:1])C1(CCCC1)c1ccccc1
Cc1ccccc1NC(=O)C1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C1(CCCC1)[*:1]
Cc1ccc(CNC(=O)[C@H]2SCCc3ccccc32)s1 Cc1ccc(s1)[*:1] O=C(NC[*:1])[C@H]1SCCc2ccccc21
Cc1cc(C(=O)NCc2cnn(C)c2C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NCc1cnn(C)c1C
Cc1cc(C(=O)NCc2cnn(C)c2C)ccc1[N+](=O)[O-] Cc1c(cnn1C)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NC[*:1]
Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H]1CCCC[C@@H]1C c1ccc(nc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[C@H]1CCCC[C@@H]1C)[*:1]
CCn1cc(C)c(C(=O)[O-])c1CC(=O)N1CCc2ccccc21 O=C([O-])[*:1] CCn1cc(C)c(c1CC(=O)N1CCc2ccccc21)[*:1]
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(Cc1ccco1)CC(F)(F)F)C2=O c1coc(c1)C[*:1] C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CC(F)(F)F)[*:1])C2=O
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(Cc1ccco1)CC(F)(F)F)C2=O c1coc(c1)[*:1] C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CC(F)(F)F)C[*:1])C2=O
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(Cc1ccco1)CC(F)(F)F)C2=O FC(F)(F)[*:1] C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(Cc1ccco1)C[*:1])C2=O
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(Cc1ccco1)CC(F)(F)F)C2=O FC(F)(F)C[*:1] C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(Cc1ccco1)[*:1])C2=O
O=C(CSC1[NH+]=c2ccccc2=[NH+]1)Nc1ncc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(CSC1[NH+]=c2ccccc2=[NH+]1)Nc1ncc(s1)[*:1]
CC(=O)Nc1cccc(C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)C[*:1] CC(=O)Nc1cccc(c1)C(=O)N1CC[C@@H](C1)OC[*:1]
CC(=O)Nc1cccc(C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)CC[*:1] CC(=O)Nc1cccc(c1)C(=O)N1CC[C@@H](C1)O[*:1]
CC(=O)Nc1cccc(C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)CCO[*:1] CC(=O)Nc1cccc(c1)C(=O)N1CC[C@H](C1)[*:1]
CC(=O)Nc1cccc(C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(=O)N[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)N2CC[C@H](OCCC(C)C)C2)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)C(=O)N1CC[C@@H](C1)OCC[*:1]
Cc1nnc(SCc2cc(Br)ccc2OC(F)F)n1N FC(F)O[*:1] Cc1nnc(SCc2cc(Br)ccc2[*:1])n1N
Cc1nnc(SCc2cc(Br)ccc2OC(F)F)n1N FC(F)[*:1] Cc1nnc(SCc2cc(Br)ccc2O[*:1])n1N
O=C(c1cccc(OCc2cccnc2)c1)N1CCC1 O=C(N1CCC1)[*:1] c1cncc(c1)COc1cccc(c1)[*:1]
O=C(c1cccc(OCc2cccnc2)c1)N1CCC1 c1cncc(c1)[*:1] O=C(c1cccc(c1)OC[*:1])N1CCC1
CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1ccc[nH+]c1N(C)C CN(C)[*:1] CCN(Cc1ccc2OCOc2c1)C(=O)NCc1ccc[nH+]c1[*:1]
CC[C@H](CO)N(CC(=O)NC1CCN(C(C)=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CO)N(CC(=O)NC1CCN(CC1)C(C)=O)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)/C=C/c1ccc(cc1)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[C@@H](O)[*:1]
OC[C@@]1([NH2+]C2CC2)CCC[C@H]1CCOC1CCCC1 C1CCC(C1)O[*:1] OC[C@]1(CCC[C@H]1CC[*:1])[NH2+]C1CC1
OC[C@@]1([NH2+]C2CC2)CCC[C@H]1CCOC1CCCC1 C1CC1[*:1] OC[C@]1(CCC[C@H]1CCOC1CCCC1)[NH2+][*:1]
OC[C@@]1([NH2+]C2CC2)CCC[C@H]1CCOC1CCCC1 C1CCC(C1)[*:1] OC[C@]1(CCC[C@H]1CCO[*:1])[NH2+]C1CC1
O=S(=O)(c1ccc(F)cc1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)CO[*:1] O=S(=O)(c1ccc(F)cc1)N1CCC(CC1)C[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=S(=O)(c1ccc(F)cc1)N1CCC(CC1)CO[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCC(CC1)COC[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCC(COCc2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(N1CCC(CC1)COCc1ccccc1)[*:1]
Cc1cc(-c2nc(C)sc2CC(=O)N[C@@H](c2ccccc2)C2CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1nc(c(CC(=O)N[C@@H](c2ccccc2)C2CC2)s1)[*:1]
Cc1cc(-c2nc(C)sc2CC(=O)N[C@@H](c2ccccc2)C2CC2)c(C)s1 c1ccc(cc1)[*:1] Cc1cc(-c2nc(C)sc2CC(=O)N[C@@H](C2CC2)[*:1])c(C)s1
Cc1cc(-c2nc(C)sc2CC(=O)N[C@@H](c2ccccc2)C2CC2)c(C)s1 C1CC1[*:1] Cc1cc(-c2nc(C)sc2CC(=O)N[C@@H](c2ccccc2)[*:1])c(C)s1
COC(=O)[C@H](C)NC(=O)c1cc2cc(C)c(C)cc2o1 COC(=O)[*:1] Cc1cc2cc(oc2cc1C)C(=O)N[C@@H](C)[*:1]
COC(=O)[C@H](C)NC(=O)c1cc2cc(C)c(C)cc2o1 COC(=O)[C@H](C)[*:1] Cc1cc2cc(oc2cc1C)C(=O)N[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1 CCC[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)Nc1cc(ccc1Cl)NC(=O)[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1 CCCC(=O)N[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)Nc1cc(ccc1Cl)[*:1]
Nc1[nH]nc(-c2cccnc2)c1-c1cccc(F)c1 c1cncc(c1)[*:1] Nc1[nH]nc(c1-c1cccc(F)c1)[*:1]
CCCn1cc([C@H](C)[C@H](C)[NH2+]C(C)C)cn1 CC(C)[*:1] CCCn1cc(cn1)[C@H](C)[C@H](C)[NH2+][*:1]
CCCn1cc([C@H](C)[C@H](C)[NH2+]C(C)C)cn1 CCC[*:1] CC(C)[NH2+][C@@H](C)[C@@H](C)c1cnn(c1)[*:1]
Cc1cccc(OCC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])NC[C@@H](O)c1ccc(cc1)C(F)(F)F
Cc1cccc(OCC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] Cc1cccc(c1)OCC(=O)NC[C@@H](O)c1ccc(cc1)[*:1]
Cc1cccc(OCC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])NC[C@@H](O)c1ccc(cc1)C(F)(F)F
C=CCn1c(=O)c2ccccc2n2c(SCc3nnnn3CCC)nnc12 C=CC[*:1] CCCn1nnnc1CSc1nnc2n(c(=O)c3ccccc3n12)[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCc3nnnn3CCC)nnc12 CCCn1nnnc1C[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)S[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCc3nnnn3CCC)nnc12 CCC[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)SCc1nnnn1[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCc3nnnn3CCC)nnc12 CCCn1nnnc1[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)SC[*:1]
Cc1nc(-c2ccc(S(=O)(=O)Nc3cccc(Br)c3)cc2)co1 Cc1nc(co1)[*:1] O=S(=O)(Nc1cccc(Br)c1)c1ccc(cc1)[*:1]
Cc1nc(-c2ccc(S(=O)(=O)Nc3cccc(Br)c3)cc2)co1 Brc1cccc(c1)[*:1] Cc1nc(co1)-c1ccc(cc1)S(=O)(=O)N[*:1]
C=CCn1nnnc1SCC(=O)NC(=O)Cc1ccccc1 C=CC[*:1] O=C(CSc1nnnn1[*:1])NC(=O)Cc1ccccc1
C=CCn1nnnc1SCC(=O)NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] C=CCn1nnnc1SCC(=O)NC(=O)C[*:1]
C=CCn1nnnc1SCC(=O)NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] C=CCn1nnnc1SCC(=O)NC(=O)[*:1]
Cc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 Cc1ccccc1[*:1] O=C(CN1CC[NH+](CC1)C[*:1])Nc1ccccc1
Cc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1C[NH+]1CCN(CC1)CC(=O)N[*:1]
Cc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 Cc1ccccc1C[*:1] O=C(CN1CC[NH+](CC1)[*:1])Nc1ccccc1
[NH3+][C@@]1(C(=O)[O-])CC[C@H](Sc2ccc(Cl)cn2)C1 O=C([O-])[*:1] [NH3+][C@]1(CC[C@@H](C1)Sc1ccc(Cl)cn1)[*:1]
Cc1ccc(-n2cc(S(=O)(=O)c3ccc(C)cc3)[nH]c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1cn(c(=O)[nH]1)[*:1]
Cc1ccc(-n2cc(S(=O)(=O)c3ccc(C)cc3)[nH]c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1cc([nH]c1=O)S(=O)(=O)[*:1]
COc1ccc(-c2cc(CN(C)S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)on2)cc1 COc1ccc(cc1)[*:1] CN(Cc1cc(no1)[*:1])S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
COc1ccc(-c2cc(CN(C)S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)on2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1cc(CN(C)S(=O)(=O)c2ccc(Cl)cc2[*:1])on1
CC(=O)Nc1ccc(-n2ccnc2C)nc1 CC(=O)N[*:1] Cc1nccn1-c1ccc(cn1)[*:1]
Cc1c(-c2ccc([N+](=O)[O-])cc2)oc2ccccc12 O=[N+]([O-])[*:1] Cc1c(oc2ccccc12)-c1ccc(cc1)[*:1]
O=C(Nc1cc(N2CCCC2=O)ccc1Cl)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 c1coc(c1)[*:1] O=C(Nc1cc(ccc1Cl)N1CCCC1=O)C(=C[*:1])n1nnnc1-c1ccccc1
O=C(Nc1cc(N2CCCC2=O)ccc1Cl)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 O=C1CCCN1[*:1] O=C(Nc1cc(ccc1Cl)[*:1])/C(=C/c1ccco1)n1nnnc1-c1ccccc1
O=C(Nc1cc(N2CCCC2=O)ccc1Cl)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cc(ccc1Cl)N1CCCC1=O)/C(=C/c1ccco1)n1nnnc1[*:1]
O=C(Nc1cc(N2CCCC2=O)ccc1Cl)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 c1ccc(cc1)-c1nnnn1[*:1] O=C(Nc1cc(ccc1Cl)N1CCCC1=O)C(=Cc1ccco1)[*:1]
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn(n1)[*:1]
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn(Cc2ccccn2)n1 c1ccc(nc1)[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn(C[*:1])n1
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn(Cc2ccccn2)n1 N#Cc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)Nc1ccn(Cc2ccccn2)n1
Cc1ccc(NC(=S)NC(=O)C2CC2)cc1Cl C1CC1[*:1] Cc1ccc(cc1Cl)NC(=S)NC(=O)[*:1]
COC(=O)c1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccn1 O=C1CCCN1[*:1] COC(=O)c1cc(ccn1)C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccn1 COC(=O)[*:1] O=C(Nc1cccc(c1)N1CCCC1=O)c1ccnc(c1)[*:1]
CNC(=O)CCNC(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 CNC(=O)C[*:1] O=C(NC[C@@H]1CC[C@H](O1)C(=O)[O-])NC[*:1]
CNC(=O)CCNC(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 CNC(=O)CC[*:1] O=C(NC[C@@H]1CC[C@H](O1)C(=O)[O-])N[*:1]
CNC(=O)CCNC(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 O=C([O-])[*:1] CNC(=O)CCNC(=O)NC[C@@H]1CC[C@@H](O1)[*:1]
CNC(=O)CCNC(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 CNC(=O)[*:1] O=C(NCC[*:1])NC[C@@H]1CC[C@H](O1)C(=O)[O-]
CCOc1ccc(NC(=O)c2c(O)cccc2O)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)c1c(O)cccc1O
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(F)cc2)c1 Fc1ccc(cc1)C[*:1] CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(F)cc2)c1 Fc1ccc(cc1)CC[*:1] CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C(=O)NCC[*:1]
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(F)cc2)c1 C1CCC(CC1)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)NCCc1ccc(F)cc1)[*:1]
CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@@](C)(C(=O)[O-])CCC[C@@]21C CC(C)[*:1] C[C@@]1(CCC[C@@]2(C)c3ccc(cc3C(=O)C[C@H]12)[*:1])C(=O)[O-]
CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@@](C)(C(=O)[O-])CCC[C@@]21C O=C([O-])[*:1] CC(C)c1ccc2c(c1)C(=O)C[C@@H]1[C@@](C)(CCC[C@@]21C)[*:1]
C#CCN1CCN(C(=O)N[C@@H](c2cccc(OC)c2)c2nccn2C)CC1 C#CC[*:1] COc1cccc(c1)[C@H](NC(=O)N1CCN(CC1)[*:1])c1nccn1C
C#CCN1CCN(C(=O)N[C@@H](c2cccc(OC)c2)c2nccn2C)CC1 Cn1ccnc1[*:1] C#CCN1CCN(CC1)C(=O)N[C@@H](c1cccc(c1)OC)[*:1]
C#CCN1CCN(C(=O)N[C@@H](c2cccc(OC)c2)c2nccn2C)CC1 COc1cccc(c1)[*:1] C#CCN1CCN(CC1)C(=O)N[C@@H](c1nccn1C)[*:1]
CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 Brc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)CSc1nnc(o1)[*:1]
CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 CCO[*:1] O=C(CSc1nnc(o1)-c1ccc(Br)cc1)Nc1ccc(cc1)[*:1]
O=C(Cc1ccc(F)c(F)c1)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(Cc1ccc(F)c(F)c1)NC[*:1]
CC(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1 C1CCC(C1)[*:1] CC(=O)c1ccc(cc1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1 CC(=O)[*:1] O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)C(=O)N[C@H](C1CCCC1)[*:1]
CC1(C)C[C@H](n2c(-c3ccccc3)nc(=S)c3c2CCCC3)CCO1 c1ccc(cc1)[*:1] CC1(C)C[C@@H](CCO1)n1c(nc(=S)c2CCCCc21)[*:1]
CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccccc2F)C1 Fc1ccccc1C[*:1] CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(C1)[*:1]
CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccccc2F)C1 c1ccc(cc1)C[*:1] CN(C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccccc2F)C1)[*:1]
CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccccc2F)C1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccccc2F)C1
CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccccc2F)C1 Fc1ccccc1[*:1] CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(C1)C[*:1]
C[C@@H]1CCC[C@](CNC(=O)[C@](C)(N)C(F)(F)F)([NH+](C)C)C1 FC(F)(F)[*:1] C[C@@H]1CCC[C@@](CNC(=O)[C@](C)(N)[*:1])(C1)[NH+](C)C
C[C@@H]1CCC[C@](CNC(=O)[C@](C)(N)C(F)(F)F)([NH+](C)C)C1 C[C@](N)(C(F)(F)F)[*:1] C[C@@H]1CCC[C@@](CNC(=O)[*:1])(C1)[NH+](C)C
CCOCC(=O)N1CCCC[C@@H]1CC(C)=O CC(=O)C[*:1] CCOCC(=O)N1CCCC[C@H]1[*:1]
CCOCC(=O)N1CCCC[C@@H]1CC(C)=O CCO[*:1] CC(=O)C[C@H]1CCCCN1C(=O)C[*:1]
CCOCC(=O)N1CCCC[C@@H]1CC(C)=O CC(=O)[*:1] CCOCC(=O)N1CCCC[C@@H]1C[*:1]
CCOCC(=O)N1CCCC[C@@H]1CC(C)=O CCOC[*:1] CC(=O)C[C@H]1CCCCN1C(=O)[*:1]
C#CCN1CCN(C(=O)c2c(C)nc(C(C)C)nc2SC)CC1 CC(C)[*:1] C#CCN1CCN(CC1)C(=O)c1c(C)nc(nc1SC)[*:1]
C#CCN1CCN(C(=O)c2c(C)nc(C(C)C)nc2SC)CC1 C#CC[*:1] CSc1nc(nc(C)c1C(=O)N1CCN(CC1)[*:1])C(C)C
Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc([N-]S(C)(=O)=O)cc1 FC(F)(F)[*:1] Cc1sc(nc1-c1ccc(cc1)[N-]S(C)(=O)=O)-c1ccc(cc1)[*:1]
COc1ccccc1[C@@H](C)Nc1ncnc2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@@H](C)Nc1ncnc2c1cnn2[*:1]
COc1ccccc1[C@@H](C)Nc1ncnc2c1cnn2-c1ccccc1 COc1ccccc1[*:1] C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)[*:1]
O=C(c1cc(O)nc2ccccc12)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] O=C(c1cc(O)nc2ccccc12)N1CCN(CC1)[*:1]
CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] CCCN(Cc1nnc(o1)-c1ccco1)C(=O)c1ccc(o1)[*:1]
CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc([N+](=O)[O-])o1 c1coc(c1)[*:1] CCCN(Cc1nnc(o1)[*:1])C(=O)c1ccc(o1)[N+](=O)[O-]
CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc([N+](=O)[O-])o1 CCC[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N(Cc1nnc(o1)-c1ccco1)[*:1]
CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] CCCN(Cc1nnc(o1)-c1ccco1)C(=O)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([C@@H]1C)[*:1]
COc1ccccc1Oc1ccc(CNC(=O)Nc2cccnc2C)cc1 COc1ccccc1[*:1] Cc1ncccc1NC(=O)NCc1ccc(cc1)O[*:1]
COc1ccccc1Oc1ccc(CNC(=O)Nc2cccnc2C)cc1 COc1ccccc1O[*:1] Cc1ncccc1NC(=O)NCc1ccc(cc1)[*:1]
COc1ccccc1Oc1ccc(CNC(=O)Nc2cccnc2C)cc1 Cc1ncccc1[*:1] COc1ccccc1Oc1ccc(cc1)CNC(=O)N[*:1]
CC(C)CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 CC(C)CC[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(c2)O[*:1])N1[C@@H]1CCS(=O)(=O)C1
CC(C)CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 CC(C)[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(c2)OCC[*:1])N1[C@@H]1CCS(=O)(=O)C1
CC(C)CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 Oc1ccccc1[*:1] CC(C)CCOc1cccc(c1)[C@H]1c2c(n[nH]c2C(=O)N1[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 CC(C)C[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(c2)OC[*:1])N1[C@@H]1CCS(=O)(=O)C1
CC(C)CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 CC(C)CCO[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(c2)[*:1])N1[C@@H]1CCS(=O)(=O)C1
COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C(C)C)cc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C
COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C(C)C)cc1S(N)(=O)=O CC(C)[*:1] COc1ccc(cc1S(N)(=O)=O)CC[NH2+][C@@H]1CCCC[C@H]1[*:1]
CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(F)cc3)cs2)c1C CCC[*:1] Cc1nn(-c2nc(cs2)CC(=O)Nc2ccc(F)cc2)c(C)c1C[*:1]
CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(F)cc3)cs2)c1C Fc1ccc(cc1)[*:1] CCCCc1c(C)nn(-c2nc(cs2)CC(=O)N[*:1])c1C
CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(F)cc3)cs2)c1C CCCC[*:1] Cc1nn(-c2nc(cs2)CC(=O)Nc2ccc(F)cc2)c(C)c1[*:1]
C[C@@H]1CN(Cc2cccn2C)C[C@H](c2ccc(F)cc2)O1 Cn1cccc1C[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccc(F)cc1)[*:1]
C[C@@H]1CN(Cc2cccn2C)C[C@H](c2ccc(F)cc2)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(Cc2cccn2C)C[C@H](O1)[*:1]
C[C@@H]1CN(Cc2cccn2C)C[C@H](c2ccc(F)cc2)O1 Cn1cccc1[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C[*:1]
O=C(NCCN1CCOCC1)C1CCN(c2nnc3ccccn23)CC1 C1CN(CCO1)C[*:1] O=C(NC[*:1])C1CCN(CC1)c1nnc2ccccn12
O=C(NCCN1CCOCC1)C1CCN(c2nnc3ccccn23)CC1 C1CN(CCO1)[*:1] O=C(NCC[*:1])C1CCN(CC1)c1nnc2ccccn12
O=C(NCCN1CCOCC1)C1CCN(c2nnc3ccccn23)CC1 C1CN(CCO1)CC[*:1] O=C(N[*:1])C1CCN(CC1)c1nnc2ccccn12
C[NH+](C)CCC1CCN(C(=O)Nc2cccnc2Cl)CC1 Clc1ncccc1[*:1] C[NH+](C)CCC1CCN(CC1)C(=O)N[*:1]
CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl CC(C)C[*:1] O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3Cl)c2ncn1[*:1]
CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl Clc1ccccc1[*:1] CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2C[*:1]
CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl Clc1ccccc1C[*:1] CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2[*:1]
CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl CC(C)[*:1] O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3Cl)c2ncn1C[*:1]
O=C(Nc1cccc([C@H]2C=C(c3cccnc3)Nc3nnnn32)c1)c1ccc(Cl)cc1Cl c1cncc(c1)[*:1] O=C(Nc1cccc(c1)[C@H]1C=C(Nc2nnnn21)[*:1])c1ccc(Cl)cc1Cl
O=C(Nc1cccc([C@H]2C=C(c3cccnc3)Nc3nnnn32)c1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(Nc1cccc(c1)[C@H]1C=C(Nc2nnnn21)c1cccnc1)[*:1]
CCC[NH2+][C@H](c1ccnn1CC)[C@@H]1C[NH+]2CCN1CC2 CCC[*:1] CCn1nccc1[C@@H]([NH2+][*:1])[C@@H]1C[NH+]2CCN1CC2
CC1(C)C(Nc2cc(C(=O)[O-])cc(Cl)n2)C1(C)C O=C([O-])[*:1] CC1(C)C(Nc2cc(cc(Cl)n2)[*:1])C1(C)C
Cc1cc(NC(=O)N[C@H]2CCCc3c2cnn3C)ccc1C(=O)NC(C)C CC(C)[*:1] Cc1cc(ccc1C(=O)N[*:1])NC(=O)N[C@H]1CCCc2c1cnn2C
Cc1cc(NC(=O)N[C@H]2CCCc3c2cnn3C)ccc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@H]1CCCc2c1cnn2C
COc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)c(O)c1 c1ccc(cc1)C[*:1] COc1ccc(C(=O)N2CCN(CC2)C[*:1])c(O)c1
COc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)c(O)c1 c1ccc(cc1)CC[*:1] COc1ccc(C(=O)N2CCN(CC2)[*:1])c(O)c1
COc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)c(O)c1 c1ccc(cc1)[*:1] COc1ccc(C(=O)N2CCN(CC2)CC[*:1])c(O)c1
C[C@H]1CN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] C[C@H]1CN(CCO1)C(=O)CC(Cc1ccccc1)[*:1]
C[C@H]1CN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] C[C@H]1CN(CCO1)C(=O)CC(Cc1ccccc1)C[*:1]
COc1cc(C)ccc1OCCC(=O)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] COc1cc(C)ccc1OCCC(=O)N[*:1]
CCCn1c(C)cc(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C CCC[*:1] Cc1cc(C(=O)CN2C(=O)c3cccc(c3C2=O)[N+](=O)[O-])c(C)n1[*:1]
CCCn1c(C)cc(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C O=[N+]([O-])[*:1] CCCn1c(C)cc(C(=O)CN2C(=O)c3cccc(c3C2=O)[*:1])c1C
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC(=O)NC2CC2)CC1 C1CC1[*:1] COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC1)CC(=O)N[*:1]
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC(=O)NC2CC2)CC1 O=C(C[*:1])NC1CC1 COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC1)[*:1]
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC1)C[*:1]
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC(=O)NC2CC2)CC1 COC(=O)[*:1] N#Cc1cccc(c1)[C@@H](N1CCN(CC1)CC(=O)NC1CC1)[*:1]
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC(=O)NC2CC2)CC1 N#Cc1cccc(c1)[*:1] COC(=O)[C@@H](N1CCN(CC1)CC(=O)NC1CC1)[*:1]
O=C([O-])c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] O=S(=O)(N1CCCC1)[*:1] O=C([O-])c1ccccc1Sc1ccc(cc1[N+](=O)[O-])[*:1]
O=C([O-])c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C([O-])c1ccccc1Sc1ccc(cc1[*:1])S(=O)(=O)N1CCCC1
O=C([O-])c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] O=C([O-])c1ccccc1[*:1] O=[N+]([O-])c1cc(ccc1S[*:1])S(=O)(=O)N1CCCC1
O=C([O-])c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] O=C([O-])[*:1] O=[N+]([O-])c1cc(ccc1Sc1ccccc1[*:1])S(=O)(=O)N1CCCC1
CCC[C@H](C)Nc1nc2ccc(C)cn2n1 CCC[*:1] Cc1ccc2nc(nn2c1)N[C@@H](C)[*:1]
CCC[C@H](C)Nc1nc2ccc(C)cn2n1 CCC[C@H](C)[*:1] Cc1ccc2nc(nn2c1)N[*:1]
Cc1cc2c(c(=O)o1)[C@@H](c1cccc(Oc3ccc(Cl)cc3)c1)C(C#N)=C(N)O2 Clc1ccc(cc1)O[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c3cccc(c3)[*:1])c2c(=O)o1
Cc1cc2c(c(=O)o1)[C@@H](c1cccc(Oc3ccc(Cl)cc3)c1)C(C#N)=C(N)O2 Clc1ccc(cc1)[*:1] Cc1cc2OC(N)=C(C#N)[C@H](c3cccc(c3)O[*:1])c2c(=O)o1
C#Cc1cccc(NC(=O)CCC(=O)c2ccc(OC)c(F)c2)c1 C#Cc1cccc(c1)[*:1] COc1ccc(cc1F)C(=O)CCC(=O)N[*:1]
CCC[C@@H]1C[C@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O CCC[*:1] Cc1nc([nH]c(=O)c1CCC(=O)N[C@@H]1C[C@H]1[*:1])-c1ccncc1
CCC[C@@H]1C[C@H]1NC(=O)CCc1c(C)nc(-c2ccncc2)[nH]c1=O c1cc(ccn1)[*:1] CCC[C@@H]1C[C@H]1NC(=O)CCc1c(C)nc([nH]c1=O)[*:1]
CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1F CCC[*:1] Cc1ccc2c(Nc3ccc(F)cc3F)c(cnc2n1)C(=O)O[*:1]
CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CCCOC(=O)c1cnc2nc(C)ccc2c1N[*:1]
CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1F CCCOC(=O)[*:1] Cc1ccc2c(Nc3ccc(F)cc3F)c(cnc2n1)[*:1]
C=CCn1c(C)cc(C(=O)CN2CC[NH+](C(C)C)CC2)c1C C=CC[*:1] Cc1cc(C(=O)CN2CC[NH+](CC2)C(C)C)c(C)n1[*:1]
C=CCn1c(C)cc(C(=O)CN2CC[NH+](C(C)C)CC2)c1C CC(C)[*:1] C=CCn1c(C)cc(C(=O)CN2CC[NH+](CC2)[*:1])c1C
CCC[C@@H]1CCc2nc(NC(=O)c3cc(C4CC4)on3)sc2C1 CCC[*:1] O=C(Nc1nc2CC[C@H](Cc2s1)[*:1])c1cc(on1)C1CC1
CCC[C@@H]1CCc2nc(NC(=O)c3cc(C4CC4)on3)sc2C1 C1CC1[*:1] CCC[C@@H]1CCc2nc(NC(=O)c3cc(on3)[*:1])sc2C1
CCc1nc2ccccn2c1N(C(C)=O)C1CCCCC1 C1CCC(CC1)[*:1] CCc1nc2ccccn2c1N(C(C)=O)[*:1]
CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1NCC(=O)NCCc1cccc(C)c1 Cc1cccc(c1)C[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(Cl)cc1)NCC(=O)NC[*:1]
CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1NCC(=O)NCCc1cccc(C)c1 Clc1ccc(cc1)[*:1] CC1C(=NS(=O)(=O)C=1[*:1])NCC(=O)NCCc1cccc(C)c1
CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1NCC(=O)NCCc1cccc(C)c1 Cc1cccc(c1)CC[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(Cl)cc1)NCC(=O)N[*:1]
CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1NCC(=O)NCCc1cccc(C)c1 Cc1cccc(c1)[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(Cl)cc1)NCC(=O)NCC[*:1]
CCCn1nnnc1CSc1nncn1-c1ccc(C)c(Cl)c1 CCC[*:1] Cc1ccc(cc1Cl)-n1cnnc1SCc1nnnn1[*:1]
Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl Cc1c(Cl)cccc1[*:1] O=C(N[*:1])c1cc(ccc1Cl)S(=O)(=O)N1CCOCC1
Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl O=S(=O)(N1CCOCC1)[*:1] Cc1c(Cl)cccc1NC(=O)c1cc(ccc1Cl)[*:1]
CCOC(=O)[C@H]1C[NH2+]CCN1c1nc2ccc(Br)cn2n1 CCOC(=O)[*:1] Brc1ccc2nc(nn2c1)N1CC[NH2+]C[C@@H]1[*:1]
Cc1ccncc1NC(=O)N1CCN(C(=O)N(C)C)CC1 Cc1ccncc1[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)N[*:1]
Cn1cc[nH+]c1-c1cccc(NC(=O)c2cn(-c3ccccc3)nn2)c1 c1ccc(cc1)[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)c1cn(nn1)[*:1]
CN(C)S(=O)(=O)c1ccc(CNC(=O)C(C)(C)C)s1 CC(C)(C)[*:1] CN(C)S(=O)(=O)c1ccc(CNC(=O)[*:1])s1
CN(C)S(=O)(=O)c1ccc(CNC(=O)C(C)(C)C)s1 CN(C)S(=O)(=O)[*:1] CC(C)(C)C(=O)NCc1ccc(s1)[*:1]
CC(=O)N[C@H]1CCCN(CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 CC(C)c1ccc(cc1)[*:1] CC(=O)N[C@H]1CCCN(CC(=O)N(C[*:1])C2CC2)C1
CC(=O)N[C@H]1CCCN(CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 CC(=O)N[*:1] CC(C)c1ccc(cc1)CN(C(=O)CN1CCC[C@@H](C1)[*:1])C1CC1
CC(=O)N[C@H]1CCCN(CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 C1CC1[*:1] CC(=O)N[C@H]1CCCN(CC(=O)N(Cc2ccc(cc2)C(C)C)[*:1])C1
CC(=O)N[C@H]1CCCN(CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)C1 CC(C)[*:1] CC(=O)N[C@H]1CCCN(CC(=O)N(Cc2ccc(cc2)[*:1])C2CC2)C1
Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)cc1F Cc1ccc(cc1F)[*:1] O=C(NCc1csc(n1)-c1cccs1)[C@H]1CCCN1C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)cc1F c1csc(c1)[*:1] Cc1ccc(cc1F)NC(=O)N1CCC[C@@H]1C(=O)NCc1csc(n1)[*:1]
Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)cc1F c1csc(c1)-c1nc(cs1)[*:1] Cc1ccc(cc1F)NC(=O)N1CCC[C@@H]1C(=O)NC[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)N[C@H](C)CCSC)c1 CSCC[C@@H](C)[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)N[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)N[C@H](C)CCSC)c1 CSC[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)N[C@H](C)C[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)N[C@H](C)CCSC)c1 CSCC[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)N[C@H](C)[*:1]
O=C(c1ccc(-n2ccnn2)cc1)N1CCC[C@@H](c2ncc[nH]2)C1 c1c[nH]c(n1)[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CCC[C@@H](C1)[*:1]
O=C(c1ccc(-n2ccnn2)cc1)N1CCC[C@@H](c2ncc[nH]2)C1 c1cn(nn1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H](C1)c1ncc[nH]1
COc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)c3cc(C)on3)nc12 c1ccc(cc1)C[*:1] COc1ccc(C)c2sc(nc12)N(C(=O)c1cc(C)on1)[*:1]
COc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)c3cc(C)on3)nc12 c1ccc(cc1)[*:1] COc1ccc(C)c2sc(nc12)N(C[*:1])C(=O)c1cc(C)on1
COc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)c3cc(C)on3)nc12 Cc1cc(no1)[*:1] COc1ccc(C)c2sc(nc12)N(Cc1ccccc1)C(=O)[*:1]
O=C(NCCOc1cccc(F)c1)Nc1ccc(NC(=O)C2CC2)cc1 Fc1cccc(c1)O[*:1] O=C(NCC[*:1])Nc1ccc(cc1)NC(=O)C1CC1
O=C(NCCOc1cccc(F)c1)Nc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C(NCCOc1cccc(F)c1)Nc1ccc(cc1)[*:1]
O=C(NCCOc1cccc(F)c1)Nc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] O=C(NCCOc1cccc(F)c1)Nc1ccc(cc1)NC(=O)[*:1]
O=C(NCCOc1cccc(F)c1)Nc1ccc(NC(=O)C2CC2)cc1 Fc1cccc(c1)[*:1] O=C(NCCO[*:1])Nc1ccc(cc1)NC(=O)C1CC1
Cc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCC2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)CO[*:1])[NH+]1CCCC1
Cc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCC2)cc1 Fc1ccc(cc1)O[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)C[*:1])[NH+]1CCCC1
Cc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(F)cc1)NC[C@@H]([NH+]1CCCC1)[*:1]
C[C@@H](NC[C@H](O)c1ccc(F)cc1)c1nc2ccccc2n1C(F)F Fc1ccc(cc1)[*:1] C[C@@H](NC[C@H](O)[*:1])c1nc2ccccc2n1C(F)F
C[C@@H](NC[C@H](O)c1ccc(F)cc1)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@@H](NC[C@H](O)c1ccc(F)cc1)c1nc2ccccc2n1[*:1]
CC[C@@H](C)[C@@H](C)NC(=O)c1c(C)nc(C2CC2)nc1SC CC[C@@H](C)[*:1] CSc1nc(nc(C)c1C(=O)N[C@H](C)[*:1])C1CC1
CC[C@@H](C)[C@@H](C)NC(=O)c1c(C)nc(C2CC2)nc1SC C1CC1[*:1] CC[C@@H](C)[C@@H](C)NC(=O)c1c(C)nc(nc1SC)[*:1]
Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(N(C)C)[nH+]c2)on1 Cc1cc(on1)[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)N1CCC[C@@H]1[*:1]
Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(N(C)C)[nH+]c2)on1 CN(C)[*:1] Cc1cc(on1)[C@H]1CCCN1C(=O)Nc1ccc([nH+]c1)[*:1]
Cc1cccc(CNC(=O)Nc2cccc(C3SCCS3)c2)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])Nc1cccc(c1)C1SCCS1
Cc1cccc(CNC(=O)Nc2cccc(C3SCCS3)c2)c1 C1CSC(S1)[*:1] Cc1cccc(c1)CNC(=O)Nc1cccc(c1)[*:1]
CCOC(=O)[C@]1(C)CCCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O CCOC(=O)[*:1] C[C@@]1(CCCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O)[*:1]
CCS[C@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccncc2)CC1 CCS[*:1] O=C(N[C@@H]1CCCC[C@@H]1[*:1])N1CCN(CC1)C(=O)c1ccncc1
CCS[C@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] CCS[C@H]1CCCC[C@H]1NC(=O)N1CCN(CC1)C(=O)[*:1]
O[C@]1(c2ccccc2)CSC(=S)N1Cc1ccccc1 c1ccc(cc1)[*:1] O[C@@]1(CSC(=S)N1C[*:1])c1ccccc1
O[C@]1(c2ccccc2)CSC(=S)N1Cc1ccccc1 c1ccc(cc1)[*:1] O[C@@]1(CSC(=S)N1Cc1ccccc1)[*:1]
c1ccc(Cn2cc(CN3CCN(c4cccc[nH+]4)CC3)c(-c3cc4ccccc4o3)n2)cc1 c1ccc(cc1)C[*:1] c1ccc([nH+]c1)N1CCN(CC1)Cc1cn(nc1-c1cc2ccccc2o1)[*:1]
c1ccc(Cn2cc(CN3CCN(c4cccc[nH+]4)CC3)c(-c3cc4ccccc4o3)n2)cc1 c1ccc2oc(cc2c1)[*:1] c1ccc(cc1)Cn1cc(CN2CCN(CC2)c2cccc[nH+]2)c(n1)[*:1]
c1ccc(Cn2cc(CN3CCN(c4cccc[nH+]4)CC3)c(-c3cc4ccccc4o3)n2)cc1 c1ccc(cc1)[*:1] c1ccc([nH+]c1)N1CCN(CC1)Cc1cn(C[*:1])nc1-c1cc2ccccc2o1
CCN(C(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)[*:1]
CSCC(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 CSC[*:1] O=C(N1CCC[C@H](CCc2ccc(F)c(F)c2)C1)[*:1]
Cc1cnc([C@H](C)NC(=O)Nc2cc(Cl)cc(Cl)c2)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)[*:1]
O=C([O-])COc1nc(Nc2ccc(Cl)cc2Cl)nc2c1C[NH+](Cc1ccccc1)CC2 Clc1ccc(N[*:1])c(Cl)c1 O=C([O-])COc1nc(nc2CC[NH+](Cc3ccccc3)Cc21)[*:1]
O=C([O-])COc1nc(Nc2ccc(Cl)cc2Cl)nc2c1C[NH+](Cc1ccccc1)CC2 O=C([O-])[*:1] Clc1ccc(Nc2nc3CC[NH+](Cc4ccccc4)Cc3c(n2)OC[*:1])c(Cl)c1
O=C([O-])COc1nc(Nc2ccc(Cl)cc2Cl)nc2c1C[NH+](Cc1ccccc1)CC2 c1ccc(cc1)C[*:1] O=C([O-])COc1nc(nc2CC[NH+](Cc21)[*:1])Nc1ccc(Cl)cc1Cl
O=C([O-])COc1nc(Nc2ccc(Cl)cc2Cl)nc2c1C[NH+](Cc1ccccc1)CC2 c1ccc(cc1)[*:1] O=C([O-])COc1nc(nc2CC[NH+](Cc21)C[*:1])Nc1ccc(Cl)cc1Cl
O=C([O-])COc1nc(Nc2ccc(Cl)cc2Cl)nc2c1C[NH+](Cc1ccccc1)CC2 O=C([O-])C[*:1] Clc1ccc(Nc2nc3CC[NH+](Cc4ccccc4)Cc3c(n2)O[*:1])c(Cl)c1
O=C([O-])COc1nc(Nc2ccc(Cl)cc2Cl)nc2c1C[NH+](Cc1ccccc1)CC2 O=C([O-])CO[*:1] Clc1ccc(Nc2nc3CC[NH+](Cc4ccccc4)Cc3c(n2)[*:1])c(Cl)c1
O=C([O-])COc1nc(Nc2ccc(Cl)cc2Cl)nc2c1C[NH+](Cc1ccccc1)CC2 Clc1ccc(c(Cl)c1)[*:1] O=C([O-])COc1nc(nc2CC[NH+](Cc3ccccc3)Cc21)N[*:1]
COc1ccc(C/[NH+]=C(/Nc2ccc(F)cc2)n2sc(C)cc2=N)cc1 COc1ccc(cc1)[*:1] Cc1cc(=N)n(s1)/C(Nc1ccc(F)cc1)=[NH+]\C[*:1]
COc1ccc(C/[NH+]=C(/Nc2ccc(F)cc2)n2sc(C)cc2=N)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C/[NH+]=C(/N[*:1])n1sc(C)cc1=N
CCOc1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)NC(=O)CN(S(C)(=O)=O)[*:1]
CCOc1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 CCO[*:1] CS(=O)(=O)N(CC(=O)Nc1cccc(c1)[*:1])c1ccccc1
OCCN(c1nc(Br)cn2ccnc12)C1CCCC1 OCC[*:1] Brc1cn2ccnc2c(n1)N(C1CCCC1)[*:1]
OCCN(c1nc(Br)cn2ccnc12)C1CCCC1 C1CCC(C1)[*:1] OCCN(c1nc(Br)cn2ccnc12)[*:1]
C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
O=C([O-])C1(n2cnc3ccccc32)CC[NH+](Cc2cccc3nonc23)CC1 c1cc(c2nonc2c1)[*:1] O=C([O-])C1(CC[NH+](CC1)C[*:1])n1cnc2ccccc21
O=C([O-])C1(n2cnc3ccccc32)CC[NH+](Cc2cccc3nonc23)CC1 O=C([O-])[*:1] c1cc(C[NH+]2CCC(CC2)(n2cnc3ccccc32)[*:1])c2nonc2c1
O=C([O-])C1(n2cnc3ccccc32)CC[NH+](Cc2cccc3nonc23)CC1 c1ccc2c(c1)ncn2[*:1] O=C([O-])C1(CC[NH+](CC1)Cc1cccc2nonc12)[*:1]
CCn1c(=O)c2ccccc2n2c(COc3c(C)cccc3C)nnc12 Cc1cccc(C)c1[*:1] CCn1c(=O)c2ccccc2n2c(CO[*:1])nnc12
CC(C)CCS(=O)(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)CCS(=O)(=O)N[C@@H]1CCCN(C[*:1])C1=O
CC(C)CCS(=O)(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O CC(C)C[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)NS(=O)(=O)C[*:1]
CC(C)CCS(=O)(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CC(C)CCS(=O)(=O)N[C@@H]1CCCN(C1=O)[*:1]
CC(C)CCS(=O)(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O CC(C)CC[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)NS(=O)(=O)[*:1]
CC(C)CCS(=O)(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O CC(C)[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)NS(=O)(=O)CC[*:1]
COc1cccc(C(=O)NCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)CNC(=O)[*:1])c1nc2ccccc2[nH]1
O=C(NC1CCCC1)c1cc[nH+]cc1[O-] C1CCC(C1)[*:1] O=C(N[*:1])c1cc[nH+]cc1[O-]
O=C(/C=C/c1nc2ccccc2o1)OC[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] O=C(/C=C/c1nc2ccccc2o1)OC[*:1]
O=C(/C=C/c1nc2ccccc2o1)OC[C@@H]1CCCCO1 C1CC[C@@H](C[*:1])OC1 O=C(/C=C/c1nc2ccccc2o1)O[*:1]
COc1cccc([C@@H]2CCCN2C(=O)C[C@@H](C)c2cccc(OC)c2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)[C@H](C)CC(=O)N1CCC[C@H]1[*:1]
COc1cccc([C@@H]2CCCN2C(=O)C[C@@H](C)c2cccc(OC)c2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)C[C@@H](C)[*:1]
CC1=N[C@@H](CC[NH2+]C[C@H]2CN(c3ccc(F)cc3)N[C@@H]2c2ccccc2Cl)N=C1 Fc1ccc(cc1)[*:1] CC1C=N[C@H](CC[NH2+]C[C@H]2CN(N[C@@H]2c2ccccc2Cl)[*:1])N=1
CC1=N[C@@H](CC[NH2+]C[C@H]2CN(c3ccc(F)cc3)N[C@@H]2c2ccccc2Cl)N=C1 Clc1ccccc1[*:1] CC1C=N[C@H](CC[NH2+]C[C@H]2CN(N[C@H]2[*:1])c2ccc(F)cc2)N=1
COc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 Fc1ccc(cc1)C[*:1] COc1cccc(c1)CNC(=O)N1CCC(CC1)N1CCN(C1=O)[*:1]
COc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)N1CCC(CC1)N1CCN(C[*:1])C1=O
COc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 COc1cccc(c1)C[*:1] O=C(N[*:1])N1CCC(CC1)N1CCN(Cc2ccc(F)cc2)C1=O
COc1cccc(CNC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])N1CCC(CC1)N1CCN(Cc2ccc(F)cc2)C1=O
CC(=O)CN1C2=C(C=Nc3ccccc31)C(=O)CC(C)(C)C2 CC(=O)[*:1] CC1(C)CC(=O)C2C=Nc3ccccc3N(C[*:1])C=2C1
CC(=O)CN1C2=C(C=Nc3ccccc31)C(=O)CC(C)(C)C2 CC(=O)C[*:1] CC1(C)CC(=O)C2C=Nc3ccccc3N(C=2C1)[*:1]
C[C@H]1CC[C@@H](c2nc(=O)c(-c3ccccc3Cl)c([O-])[nH]2)C1 Clc1ccccc1[*:1] C[C@H]1CC[C@H](C1)c1nc(=O)c(c([O-])[nH]1)[*:1]
CN(C)C(=O)Nc1cccc(CNC(=O)c2cn(C)nc2C(C)(C)C)c1 CN(C)C(=O)N[*:1] Cn1cc(C(=O)NCc2cccc(c2)[*:1])c(n1)C(C)(C)C
CN(C)C(=O)Nc1cccc(CNC(=O)c2cn(C)nc2C(C)(C)C)c1 CC(C)(C)[*:1] CN(C)C(=O)Nc1cccc(c1)CNC(=O)c1cn(C)nc1[*:1]
CC(C)CNC(=O)NC(=O)COc1ccc(C=O)cc1 CC(C)[*:1] O=Cc1ccc(cc1)OCC(=O)NC(=O)NC[*:1]
CC(C)CNC(=O)NC(=O)COc1ccc(C=O)cc1 CC(C)C[*:1] O=Cc1ccc(cc1)OCC(=O)NC(=O)N[*:1]
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C2CC2)cc1 CC[C@H](C)NS(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCOC[C@H]1C1CC1
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C2CC2)cc1 CC[C@H](C)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCOC[C@H]1C1CC1
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C2CC2)cc1 C1CC1[*:1] CC[C@H](C)NS(=O)(=O)c1ccc(cc1)C(=O)N1CCOC[C@@H]1[*:1]
Nc1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)s1 Nc1nnc(S[*:1])s1 O=C(C[*:1])N1CCC(CC1)Cc1ccccc1
Nc1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)s1 c1ccc(cc1)C[*:1] Nc1nnc(SCC(=O)N2CCC(CC2)[*:1])s1
Nc1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Nc1nnc(SCC(=O)N2CCC(CC2)C[*:1])s1
Nc1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)s1 Nc1nnc(s1)[*:1] O=C(CS[*:1])N1CCC(CC1)Cc1ccccc1
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccncc1 O=[N+]([O-])[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(cc2)[*:1])N1Cc1ccncc1
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccncc1 c1cc(ccn1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(cc2)[N+](=O)[O-])N1C[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccncc1 c1cc(ccn1)C[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(cc2)[N+](=O)[O-])N1[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccncc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1Cc1ccncc1)[*:1]
CCC[NH2+]Cc1cn([C@@H]2CCO[C@@]3(CCSC3)C2)nn1 CCC[*:1] c1c(C[NH2+][*:1])nnn1[C@@H]1CCO[C@@]2(CCSC2)C1
COc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2cccc(C)c2)no1 Cc1cccc(c1)NC(=O)[*:1] COc1ccccc1-c1nc(no1)-c1ccccc1OC[*:1]
COc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2cccc(C)c2)no1 Cc1cccc(c1)[*:1] COc1ccccc1-c1nc(no1)-c1ccccc1OCC(=O)N[*:1]
COc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2cccc(C)c2)no1 COc1ccccc1[*:1] Cc1cccc(c1)NC(=O)COc1ccccc1-c1noc(n1)[*:1]
CC1CCC(NC(=O)c2cccc(OCc3cscn3)c2)CC1 c1nc(cs1)[*:1] CC1CCC(CC1)NC(=O)c1cccc(c1)OC[*:1]
CC1CCC(NC(=O)c2cccc(OCc3cscn3)c2)CC1 c1nc(cs1)C[*:1] CC1CCC(CC1)NC(=O)c1cccc(c1)O[*:1]
CC1CCC(NC(=O)c2cccc(OCc3cscn3)c2)CC1 CC1CCC(CC1)[*:1] O=C(N[*:1])c1cccc(c1)OCc1cscn1
CC1CCC(NC(=O)c2cccc(OCc3cscn3)c2)CC1 c1nc(cs1)CO[*:1] CC1CCC(CC1)NC(=O)c1cccc(c1)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)c(Br)c2)NC(=O)N1C CC(C)[*:1] CC1=C(C(=O)O[*:1])[C@@H](NC(=O)N1C)c1ccc(F)c(Br)c1
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)c(Br)c2)NC(=O)N1C CC(C)OC(=O)[*:1] CC1=C([C@@H](NC(=O)N1C)c1ccc(F)c(Br)c1)[*:1]
Cc1ccccc1CSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1cccc(F)c1F Cc1ccccc1[*:1] O=C1C[C@H](c2cccc(F)c2F)[C@H]2C(=O)N=C(N=C2N1)SC[*:1]
Cc1ccccc1CSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1cccc(F)c1F Fc1cccc(c1F)[*:1] Cc1ccccc1CSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2[*:1]
Cc1ccccc1CSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1cccc(F)c1F Cc1ccccc1C[*:1] O=C1C[C@H](c2cccc(F)c2F)[C@H]2C(=O)N=C(N=C2N1)S[*:1]
CC(C)N(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1F CC(C)N(C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)N(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1F CC(C)[*:1] CN(c1ccc(cc1F)NC(=O)C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CC(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)C(=O)Nc1cc(ccc1[*:1])C(=O)[O-]
CC(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])c1ccc(C(=O)[O-])c(c1)NC(=O)[*:1]
CC(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)C(=O)Nc1cc(ccc1C(=O)[O-])[*:1]
O=S(=O)(NCCn1c(C(F)(F)F)nc2ccccc21)c1ccccc1Cl Clc1ccccc1[*:1] O=S(=O)(NCCn1c(nc2ccccc21)C(F)(F)F)[*:1]
O=S(=O)(NCCn1c(C(F)(F)F)nc2ccccc21)c1ccccc1Cl FC(F)(F)[*:1] O=S(=O)(NCCn1c(nc2ccccc21)[*:1])c1ccccc1Cl
COC(=O)C1=C(C)C(C(=O)[C@@H](C)N(C)c2ccccc2)=N[C@H]1C c1ccc(cc1)[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)[C@@H](C)N(C)[*:1]
COC(=O)C1=C(C)C(C(=O)[C@@H](C)N(C)c2ccccc2)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)[C@@H](C)N(C)c1ccccc1
CCOCC(=O)Nc1cc(C#N)ccc1Cl CCO[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)C[*:1]
CCOCC(=O)Nc1cc(C#N)ccc1Cl CCOC[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)[*:1]
CC(C)C[C@H](C[NH+](C)C)Nc1nc2cc(N)ccc2o1 CC(C)C[*:1] C[NH+](C)C[C@H](Nc1nc2cc(N)ccc2o1)[*:1]
CC(C)C[C@H](C[NH+](C)C)Nc1nc2cc(N)ccc2o1 CC(C)[*:1] C[NH+](C)C[C@@H](C[*:1])Nc1nc2cc(N)ccc2o1
O=C(COc1ccc(Cl)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 Clc1ccc(cc1)OC[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1)[*:1]
O=C(COc1ccc(Cl)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1
O=C(COc1ccc(Cl)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CC[*:1]
O=C(COc1ccc(Cl)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(COc1ccc(Cl)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1C[*:1]
O=C(COc1ccc(Cl)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 Fc1ccc(cc1)CC[*:1] O=C(COc1ccc(Cl)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
O=C(COc1ccc(Cl)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1
O=c1c2nnn(Cc3ccccc3Cl)c2ncn1Cc1cc(F)cc(F)c1 Clc1ccccc1[*:1] O=c1c2nnn(C[*:1])c2ncn1Cc1cc(F)cc(F)c1
O=c1c2nnn(Cc3ccccc3Cl)c2ncn1Cc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=c1c2nnn(Cc3ccccc3Cl)c2ncn1C[*:1]
O=c1c2nnn(Cc3ccccc3Cl)c2ncn1Cc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)C[*:1] O=c1c2nnn(Cc3ccccc3Cl)c2ncn1[*:1]
O=c1c2nnn(Cc3ccccc3Cl)c2ncn1Cc1cc(F)cc(F)c1 Clc1ccccc1C[*:1] O=c1c2nnn(c2ncn1Cc1cc(F)cc(F)c1)[*:1]
Cc1ccc(CC(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cn1 Cc1ccc(cn1)[*:1] C[C@]1(NC(=O)NC1=O)c1cccc(c1)NC(=O)C[*:1]
Cc1ccc(CC(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cn1 Cc1ccc(cn1)C[*:1] C[C@]1(NC(=O)NC1=O)c1cccc(c1)NC(=O)[*:1]
CC(C)[C@@](C)(C#N)NS(=O)(=O)c1ccc(F)cc1Cl CC(C)[*:1] C[C@@](C#N)(NS(=O)(=O)c1ccc(F)cc1Cl)[*:1]
CC(C)c1nnc(CCC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)o1 CC(C)[*:1] O=C(CCc1nnc(o1)[*:1])N1CC=C(CC1)c1ccc(Cl)cc1
CC(C)c1nnc(CCC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)o1 CC(C)c1nnc(o1)[*:1] O=C(CC[*:1])N1CC=C(CC1)c1ccc(Cl)cc1
CC(C)c1nnc(CCC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)o1 Clc1ccc(cc1)[*:1] CC(C)c1nnc(CCC(=O)N2CC=C(CC2)[*:1])o1
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 Cc1cccc(C)c1[*:1] O=C(CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)N[*:1]
Cc1ccc(O[C@@H](C)C#N)c(C[NH3+])n1 C[C@@H](C#N)[*:1] Cc1ccc(O[*:1])c(C[NH3+])n1
Cc1ccc(NC(=S)NNC(=O)c2ccc(-n3ccnn3)cc2)c(C)c1 c1cn(nn1)[*:1] Cc1ccc(NC(=S)NNC(=O)c2ccc(cc2)[*:1])c(C)c1
Cc1ccc(NC(=S)NNC(=O)c2ccc(-n3ccnn3)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NNC(=S)N[*:1])c1ccc(cc1)-n1ccnn1
CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 CCC[*:1] O=C(Nc1ccc2CCCN(c2c1)S(=O)(=O)[*:1])c1ccc(Cl)cc1
CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 Clc1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCCc2ccc(cc21)NC(=O)[*:1]
C[C@H]1CCC[C@H](OCc2cccc(NC(=O)NCc3nncn3C)c2)C1 Cn1cnnc1C[*:1] C[C@H]1CCC[C@@H](C1)OCc1cccc(c1)NC(=O)N[*:1]
C[C@H]1CCC[C@H](OCc2cccc(NC(=O)NCc3nncn3C)c2)C1 Cn1cnnc1[*:1] C[C@H]1CCC[C@@H](C1)OCc1cccc(c1)NC(=O)NC[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cn1cnc2ccccc2c1=O CC(C)[*:1] C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)Cn1cnc2ccccc2c1=O)[*:1]
Cc1csc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)[C@@H](Sc1ccccc1)[*:1]
Cc1csc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 Cc1csc(n1)[*:1] O=C(N[*:1])[C@@H](Sc1ccccc1)c1ccccc1
Cc1csc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)[C@@H](S[*:1])c1ccccc1
Cc1csc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 c1ccc(cc1)S[*:1] Cc1csc(n1)NC(=O)[C@@H](c1ccccc1)[*:1]
CSc1nc(C)c(CCC(=O)OCC2CCCCC2)c(=O)[nH]1 C1CCC(CC1)C[*:1] CSc1nc(C)c(CCC(=O)O[*:1])c(=O)[nH]1
CSc1nc(C)c(CCC(=O)OCC2CCCCC2)c(=O)[nH]1 C1CCC(CC1)[*:1] CSc1nc(C)c(CCC(=O)OC[*:1])c(=O)[nH]1
CCN1C(=O)[C@@]2(C(C(C)=O)=C(C)OC(N)=C2C(=O)OC)c2ccccc21 COC(=O)[*:1] CCN1C(=O)[C@@]2(C(C(C)=O)=C(C)OC(N)=C2[*:1])c2ccccc21
CCN1C(=O)[C@@]2(C(C(C)=O)=C(C)OC(N)=C2C(=O)OC)c2ccccc21 CC(=O)[*:1] CCN1C(=O)[C@]2(C(C(=O)OC)=C(N)OC(C)=C2[*:1])c2ccccc21
CCC(CC)c1cc(CN[C@H](C)c2cnc3cc(C)nn3c2C)on1 CCC(CC)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)NCc1cc(no1)[*:1]
CC1(C)CC(=O)c2cnc3c(C(=O)NC[C@@H]4CCCO4)cnn3c2C1 C1CO[C@@H](C1)[*:1] CC1(C)CC(=O)c2cnc3c(cnn3c2C1)C(=O)NC[*:1]
CC1(C)CC(=O)c2cnc3c(C(=O)NC[C@@H]4CCCO4)cnn3c2C1 C1CO[C@@H](C1)C[*:1] CC1(C)CC(=O)c2cnc3c(cnn3c2C1)C(=O)N[*:1]
C=CCOc1ccc2[nH]cc(CC[NH3+])c2c1 C=CC[*:1] [NH3+]CCc1c[nH]c2ccc(cc12)O[*:1]
C=CCOc1ccc2[nH]cc(CC[NH3+])c2c1 C=CCO[*:1] [NH3+]CCc1c[nH]c2ccc(cc12)[*:1]
C=CCOc1ccc2[nH]cc(CC[NH3+])c2c1 [NH3+]CC[*:1] C=CCOc1ccc2[nH]cc(c2c1)[*:1]
O[C@H](CC[C@H]1CCCO1)C1([NH+]2CCCC2)CCCC1 C1CO[C@H](C1)[*:1] O[C@H](CC[*:1])C1(CCCC1)[NH+]1CCCC1
O[C@H](CC[C@H]1CCCO1)C1([NH+]2CCCC2)CCCC1 C1CO[C@H](C1)C[*:1] O[C@H](C[*:1])C1(CCCC1)[NH+]1CCCC1
CCN1C(=O)Cc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21 CC(C)[*:1] CCN1C(=O)Cc2cc(ccc21)NC(=O)c1ccc(cc1)O[*:1]
CCN1C(=O)Cc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21 CC(C)O[*:1] CCN1C(=O)Cc2cc(ccc21)NC(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(c2)[N+](=O)[O-])N1[*:1]
CC(=O)c1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CC(=O)c1ccc(cc1)N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(c1)[*:1]
CC(=O)c1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CC(=O)c1ccc(cc1)N1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
CC(=O)c1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 CC(=O)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(c2)[N+](=O)[O-])N1c1ccc(cc1)[*:1]
CC[C@@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccc2c(c1)CC(=O)N2C O[C@H]1CCCC[C@@H]1[*:1] CC[C@@H]([NH2+]CCC[*:1])c1ccc2c(c1)CC(=O)N2C
CC[C@@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccc2c(c1)CC(=O)N2C O[C@H]1CCCC[C@@H]1C[*:1] CC[C@@H]([NH2+]CC[*:1])c1ccc2c(c1)CC(=O)N2C
COCCN(C(=O)NCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 Cc1ccccc1[*:1] COCCN(C(=O)NC[*:1])[C@H]1CCS(=O)(=O)C1
COCCN(C(=O)NCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 COC[*:1] Cc1ccccc1CNC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COCCN(C(=O)NCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 COCC[*:1] Cc1ccccc1CNC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)c1ccc(COc2ccc3ccccc3c2)o1
Cc1ccc2nc(NC(=O)CCn3nc(C(=O)Nc4ccc(C)c(C)c4)ccc3=O)sc2c1 Cc1ccc(cc1C)[*:1] Cc1ccc2nc(NC(=O)CCn3nc(ccc3=O)C(=O)N[*:1])sc2c1
Cc1ccc2nc(NC(=O)CCn3nc(C(=O)Nc4ccc(C)c(C)c4)ccc3=O)sc2c1 Cc1ccc2nc(sc2c1)[*:1] Cc1ccc(cc1C)NC(=O)c1ccc(=O)n(CCC(=O)N[*:1])n1
Cc1ccc2nc(NC(=O)CCn3nc(C(=O)Nc4ccc(C)c(C)c4)ccc3=O)sc2c1 Cc1ccc(cc1C)NC(=O)[*:1] Cc1ccc2nc(NC(=O)CCn3nc(ccc3=O)[*:1])sc2c1
CC(C)OCc1cccc(NC(=O)[C@H]2CN(C)CCO2)c1 CC(C)OC[*:1] CN1CCO[C@H](C1)C(=O)Nc1cccc(c1)[*:1]
CC(C)OCc1cccc(NC(=O)[C@H]2CN(C)CCO2)c1 CC(C)O[*:1] CN1CCO[C@H](C1)C(=O)Nc1cccc(c1)C[*:1]
CC(C)OCc1cccc(NC(=O)[C@H]2CN(C)CCO2)c1 CC(C)[*:1] CN1CCO[C@H](C1)C(=O)Nc1cccc(c1)CO[*:1]
CCc1cccc(N[C@@H]2c3ncccc3C(=O)N2c2cc(OC)ccc2OC)c1 CCc1cccc(c1)N[*:1] COc1ccc(OC)c(c1)N1C(=O)c2cccnc2[C@H]1[*:1]
CCc1cccc(N[C@@H]2c3ncccc3C(=O)N2c2cc(OC)ccc2OC)c1 CCc1cccc(c1)[*:1] COc1ccc(OC)c(c1)N1C(=O)c2cccnc2[C@H]1N[*:1]
CCCc1cc(NC(=O)NCc2ccc(-n3ccnc3C)nc2)n(C)n1 CCC[*:1] Cc1nccn1-c1ccc(cn1)CNC(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)NCc2ccc(-n3ccnc3C)nc2)n(C)n1 Cc1nccn1[*:1] CCCc1cc(NC(=O)NCc2ccc(nc2)[*:1])n(C)n1
C[C@H]1CN(C(=O)Nc2ccccc2C(=O)N2CCCCC2)C[C@H](C)O1 O=C(N1CCCCC1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccccc1[*:1]
COC(=O)CNC(=O)c1cn2ccc(C)cc2n1 COC(=O)C[*:1] Cc1ccn2cc(nc2c1)C(=O)N[*:1]
COC(=O)CNC(=O)c1cn2ccc(C)cc2n1 COC(=O)[*:1] Cc1ccn2cc(nc2c1)C(=O)NC[*:1]
Fc1c(CBr)cccc1C(F)(F)F FC(F)(F)[*:1] Fc1c(cccc1[*:1])CBr
CCOC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCOC(=O)c1ccc(cc1)NC(=O)CO[*:1]
CCOC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 CCOC(=O)[*:1] O=C(COc1ccccc1Cl)Nc1ccc(cc1)[*:1]
CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1sccc1C Cc1ccsc1[*:1] CC[C@H]1c2ccsc2CCN1C(=O)C=C[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)C1CC1 C1CC1[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1ccc(cc1)NC(N)=O)[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)C1CC1 NC(=O)N[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1ccc(cc1)[*:1])C1CC1
Cc1ccccc1[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)C1CC1 Cc1ccccc1[*:1] NC(=O)Nc1ccc(cc1)C[NH2+][C@@H](C1CC1)[*:1]
C=CCCOCCNC(=O)N[C@@H]1CCCc2ccc(F)cc21 C=CCCOC[*:1] O=C(NC[*:1])N[C@@H]1CCCc2ccc(F)cc21
C=CCCOCCNC(=O)N[C@@H]1CCCc2ccc(F)cc21 C=CCCO[*:1] O=C(NCC[*:1])N[C@@H]1CCCc2ccc(F)cc21
C=CCCOCCNC(=O)N[C@@H]1CCCc2ccc(F)cc21 C=CC[*:1] O=C(NCCOC[*:1])N[C@@H]1CCCc2ccc(F)cc21
C=CCCOCCNC(=O)N[C@@H]1CCCc2ccc(F)cc21 C=CCCOCC[*:1] O=C(N[C@@H]1CCCc2ccc(F)cc21)N[*:1]
C=CCCOCCNC(=O)N[C@@H]1CCCc2ccc(F)cc21 C=CCC[*:1] O=C(NCCO[*:1])N[C@@H]1CCCc2ccc(F)cc21
Cc1nc(NCc2ccccc2)cc([C@H]2CCN2Cc2c[nH+]cn2C)[nH+]1 c1ccc(cc1)[*:1] Cc1nc(cc([nH+]1)[C@H]1CCN1Cc1c[nH+]cn1C)NC[*:1]
Cc1nc(NCc2ccccc2)cc([C@H]2CCN2Cc2c[nH+]cn2C)[nH+]1 c1ccc(cc1)CN[*:1] Cc1nc(cc([nH+]1)[C@H]1CCN1Cc1c[nH+]cn1C)[*:1]
Cc1nc(NCc2ccccc2)cc([C@H]2CCN2Cc2c[nH+]cn2C)[nH+]1 c1ccc(cc1)C[*:1] Cc1nc(cc([nH+]1)[C@H]1CCN1Cc1c[nH+]cn1C)N[*:1]
Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2F)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)c1cc(ccc1F)S(=O)(=O)N[*:1]
Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2F)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])c1cc(ccc1F)S(=O)(=O)NCc1ccccc1
Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2F)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)c1cc(ccc1F)S(=O)(=O)NC[*:1]
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O)C[C@@H]1O C1CC1[*:1] C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/[C@H](O)[*:1])C[C@@H](O)C[C@@H]1O
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O)C[C@@H]1O O[C@@H](C=C[*:1])C1CC1 C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)[*:1])C[C@@H](O)C[C@@H]1O
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O)C[C@@H]1O O[C@H](C1CC1)[*:1] C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)C=C[*:1])C[C@@H](O)C[C@@H]1O
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O)C[C@@H]1O C[C@H](/C=C/[C@H](O)C1CC1)[*:1] C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[*:1])C[C@@H](O)C[C@@H]1O
CCN(CC)C(=O)c1cnn(-c2ccc([O-])nn2)c1C(F)(F)F CCN(CC)C(=O)[*:1] [O-]c1ccc(nn1)-n1ncc(c1C(F)(F)F)[*:1]
CCN(CC)C(=O)c1cnn(-c2ccc([O-])nn2)c1C(F)(F)F [O-]c1ccc(nn1)[*:1] CCN(CC)C(=O)c1cnn(c1C(F)(F)F)[*:1]
CCN(CC)C(=O)c1cnn(-c2ccc([O-])nn2)c1C(F)(F)F FC(F)(F)[*:1] CCN(CC)C(=O)c1cnn(-c2ccc([O-])nn2)c1[*:1]
O=S(=O)(Cc1ccc(F)cc1)NCc1cc(-c2cccs2)n(C2CCCC2)n1 Fc1ccc(cc1)[*:1] O=S(=O)(C[*:1])NCc1cc(-c2cccs2)n(n1)C1CCCC1
O=S(=O)(Cc1ccc(F)cc1)NCc1cc(-c2cccs2)n(C2CCCC2)n1 Fc1ccc(cc1)C[*:1] O=S(=O)(NCc1cc(-c2cccs2)n(n1)C1CCCC1)[*:1]
O=S(=O)(Cc1ccc(F)cc1)NCc1cc(-c2cccs2)n(C2CCCC2)n1 c1csc(c1)[*:1] O=S(=O)(Cc1ccc(F)cc1)NCc1cc(n(n1)C1CCCC1)[*:1]
O=S(=O)(Cc1ccc(F)cc1)NCc1cc(-c2cccs2)n(C2CCCC2)n1 C1CCC(C1)[*:1] O=S(=O)(Cc1ccc(F)cc1)NCc1cc(-c2cccs2)n(n1)[*:1]
C=CCn1c(SCc2ccc(C(=O)NC)cc2)nnc1-c1ccco1 c1coc(c1)[*:1] C=CCn1c(nnc1[*:1])SCc1ccc(cc1)C(=O)NC
C=CCn1c(SCc2ccc(C(=O)NC)cc2)nnc1-c1ccco1 CNC(=O)[*:1] C=CCn1c(nnc1-c1ccco1)SCc1ccc(cc1)[*:1]
C=CCn1c(SCc2ccc(C(=O)NC)cc2)nnc1-c1ccco1 C=CC[*:1] CNC(=O)c1ccc(cc1)CSc1nnc(-c2ccco2)n1[*:1]
C#CCN1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] C#CCN1CCN(CC1)C(=O)NCCN1CC[NH+](CC1)C[*:1]
C#CCN1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 C#CC[*:1] O=C(NCCN1CC[NH+](CC1)Cc1ccccc1)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 c1ccc(cc1)C[*:1] C#CCN1CCN(CC1)C(=O)NCCN1CC[NH+](CC1)[*:1]
CC(C)(C)OCc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 CC(C)(C)[*:1] O=C1Cc2cc(ccc2N1)NC(=O)Nc1ccc(cc1)CO[*:1]
CC(C)(C)OCc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 CC(C)(C)OC[*:1] O=C1Cc2cc(ccc2N1)NC(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)OCc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 CC(C)(C)O[*:1] O=C1Cc2cc(ccc2N1)NC(=O)Nc1ccc(cc1)C[*:1]
Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 O=S(=O)(N1CCCC1)[*:1] Cn1cc(cc1C(=O)Nc1cccc(c1)NC(=O)Nc1ccccc1)[*:1]
Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 O=C(Nc1ccccc1)N[*:1] Cn1cc(cc1C(=O)Nc1cccc(c1)[*:1])S(=O)(=O)N1CCCC1
Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] Cn1cc(cc1C(=O)Nc1cccc(c1)NC(=O)N[*:1])S(=O)(=O)N1CCCC1
Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)CC2=O)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCC[C@H]1C(=O)NC[*:1]
Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)CC2=O)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCC[C@H]1C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)CC2=O)cc1 O=C(NCc1ccco1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCC[C@@H]1[*:1]
CN(C(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 O=[N+]([O-])[*:1] CN(C(=O)CNc1cc(ccc1OC(F)F)[*:1])C1CC1
CN(C(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 CN(C(=O)[*:1])C1CC1 O=[N+]([O-])c1ccc(OC(F)F)c(c1)NC[*:1]
CN(C(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 C1CC1[*:1] CN(C(=O)CNc1cc(ccc1OC(F)F)[N+](=O)[O-])[*:1]
CN(C(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 FC(F)[*:1] CN(C(=O)CNc1cc(ccc1O[*:1])[N+](=O)[O-])C1CC1
CN(C(=O)CNc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 FC(F)O[*:1] CN(C(=O)CNc1cc(ccc1[*:1])[N+](=O)[O-])C1CC1
COCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COCC[NH2+][C@H](C)c1cccc(c1)[*:1]
COCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 COCC[*:1] C[C@@H]([NH2+][*:1])c1cccc(c1)C(F)(F)F
COCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 COC[*:1] C[C@@H]([NH2+]C[*:1])c1cccc(c1)C(F)(F)F
Cc1ccc([C@H](C)[NH2+]CCC(=O)NC2CC2)c(C)c1 C1CC1[*:1] Cc1ccc(c(C)c1)[C@H](C)[NH2+]CCC(=O)N[*:1]
Cc1ccc([C@H](C)[NH2+]CCC(=O)NC2CC2)c(C)c1 O=C(NC1CC1)[*:1] Cc1ccc(c(C)c1)[C@H](C)[NH2+]CC[*:1]
CC(C)c1nn(-c2ccncn2)c(N)c1Cl CC(C)[*:1] Nc1c(Cl)c(nn1-c1ccncn1)[*:1]
C[C@@H](C(=O)NC1CCCC1)[NH+]1CCCC1 C1CCC(C1)[*:1] C[C@@H](C(=O)N[*:1])[NH+]1CCCC1
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)/N=C(\[O-])Cc1csc(C(C)C)n1 CC(C)c1nc(cs1)[*:1] Cc1ccc(cc1S(=O)(=O)/N=C(\[O-])C[*:1])C(C)(C)C
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)/N=C(\[O-])Cc1csc(C(C)C)n1 CC(C)(C)[*:1] Cc1ccc(cc1S(=O)(=O)/N=C(\[O-])Cc1csc(n1)C(C)C)[*:1]
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)/N=C(\[O-])Cc1csc(C(C)C)n1 CC(C)[*:1] Cc1ccc(cc1S(=O)(=O)/N=C(\[O-])Cc1csc(n1)[*:1])C(C)(C)C
Cc1c2ccc(=[NH2+])cc-2oc(O)c1CC(=O)[O-] O=C([O-])C[*:1] Cc1c2ccc(=[NH2+])cc-2oc(O)c1[*:1]
Cc1c2ccc(=[NH2+])cc-2oc(O)c1CC(=O)[O-] O=C([O-])[*:1] Cc1c2ccc(=[NH2+])cc-2oc(O)c1C[*:1]
N#Cc1ccnc(N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)c1 N#Cc1ccnc(c1)[*:1] Fc1cccc(c1)-c1cn[nH]c1C1CCN(CC1)[*:1]
N#Cc1ccnc(N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)c1 Fc1cccc(c1)[*:1] N#Cc1ccnc(c1)N1CCC(CC1)c1[nH]ncc1[*:1]
COc1ccc2c(c1)CCCN2C(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O CC1(C)NC(=O)N(C1=O)[*:1] COc1ccc2c(c1)CCCN2C(=O)COC(=O)C[*:1]
COc1ccc(C[NH2+][C@@H](c2cccnc2)C(C)C)cc1NC(C)=O c1cncc(c1)[*:1] COc1ccc(cc1NC(C)=O)C[NH2+][C@@H](C(C)C)[*:1]
COc1ccc(C[NH2+][C@@H](c2cccnc2)C(C)C)cc1NC(C)=O CC(C)[*:1] COc1ccc(cc1NC(C)=O)C[NH2+][C@@H](c1cccnc1)[*:1]
COc1ccc(C[NH2+][C@@H](c2cccnc2)C(C)C)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])C[NH2+][C@@H](c1cccnc1)C(C)C
Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(C)c(-c3nccn3C)s2)cc1 Cn1ccnc1[*:1] Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1nc(C)c(s1)[*:1]
Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(C)c(-c3nccn3C)s2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(NC(=O)CCS(=O)(=O)[*:1])sc1-c1nccn1C
O=C(NC[C@@H]1CCC[C@H](O)C1)N[C@@H]1CCCC[C@H]1OC1CCCC1 O[C@H]1CCC[C@H](C1)C[*:1] O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)N[*:1]
O=C(NC[C@@H]1CCC[C@H](O)C1)N[C@@H]1CCCC[C@H]1OC1CCCC1 O[C@H]1CCC[C@H](C1)[*:1] O=C(NC[*:1])N[C@@H]1CCCC[C@H]1OC1CCCC1
O=C(NC[C@@H]1CCC[C@H](O)C1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(NC[C@@H]1CCC[C@H](O)C1)N[C@@H]1CCCC[C@H]1O[*:1]
O=C(NC[C@@H]1CCC[C@H](O)C1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(NC[C@@H]1CCC[C@H](O)C1)N[C@@H]1CCCC[C@@H]1[*:1]
COc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1[*:1]
COc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1
COc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H]1Sc2nnc(n2N[C@H]1c1ccccc1)[*:1]
Cc1ccccc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 Brc1cccc(c1)[*:1] Cc1ccccc1C[NH2+]C1(CCOCC1)[*:1]
Cc1ccccc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 Cc1ccccc1[*:1] Brc1cccc(c1)C1(CCOCC1)[NH2+]C[*:1]
O=[N+]([O-])c1cc(-c2n[nH]c(-c3ccncc3)n2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(cc(c1)[*:1])-c1n[nH]c(n1)-c1ccncc1
O=[N+]([O-])c1cc(-c2n[nH]c(-c3ccncc3)n2)cc([N+](=O)[O-])c1 c1cc(ccn1)[*:1] O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])-c1n[nH]c(n1)[*:1]
Cn1cccc1C[NH+](Cc1cccc(O)c1)C1CCC(O)CC1 Cn1cccc1C[*:1] Oc1cccc(c1)C[NH+](C1CCC(O)CC1)[*:1]
Cn1cccc1C[NH+](Cc1cccc(O)c1)C1CCC(O)CC1 Oc1cccc(c1)[*:1] Cn1cccc1C[NH+](C[*:1])C1CCC(O)CC1
Cn1cccc1C[NH+](Cc1cccc(O)c1)C1CCC(O)CC1 Cn1cccc1[*:1] Oc1cccc(c1)C[NH+](C[*:1])C1CCC(O)CC1
Cn1cccc1C[NH+](Cc1cccc(O)c1)C1CCC(O)CC1 OC1CCC(CC1)[*:1] Cn1cccc1C[NH+](Cc1cccc(O)c1)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(C)(C)C CC(C)[*:1] CC(C)(C)C(=O)NNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(C)(C)C CC(C)(C)[*:1] CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(C)(C)C Clc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NNC(=O)C(C)(C)C
CCOc1ccc(F)c(C(=O)Nc2ccc(Cn3cncn3)cc2)c1F CCO[*:1] O=C(Nc1ccc(cc1)Cn1cncn1)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)Nc2ccc(Cn3cncn3)cc2)c1F c1ncn(n1)[*:1] CCOc1ccc(F)c(C(=O)Nc2ccc(cc2)C[*:1])c1F
CCOc1ccc(F)c(C(=O)Nc2ccc(Cn3cncn3)cc2)c1F c1ncn(C[*:1])n1 CCOc1ccc(F)c(C(=O)Nc2ccc(cc2)[*:1])c1F
O=C(Cc1csc(-c2ccccc2)n1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])NCc1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(Cc1csc(-c2ccccc2)n1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(Cc1csc(n1)-c1ccccc1)NCc1ccc(cc1)[*:1]
CCOc1cc(Br)c([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)cc1OCC CCO[*:1] CCOc1cc(Br)c(cc1[*:1])[C@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C21
CCOc1cc(Br)c([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)cc1OCC CCO[*:1] CCOc1cc(c(Br)cc1[*:1])[C@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C21
CCC[C@@H](NC(N)=O)C(=O)N[C@H](CC)c1ccc(C)c(F)c1 CCC[*:1] CC[C@@H](NC(=O)[C@H](NC(N)=O)[*:1])c1ccc(C)c(F)c1
CCC[C@@H](NC(N)=O)C(=O)N[C@H](CC)c1ccc(C)c(F)c1 NC(=O)N[*:1] CCC[C@@H](C(=O)N[C@H](CC)c1ccc(C)c(F)c1)[*:1]
CCOc1ccc(CN2CCN(C(=O)C[C@@H](O)c3ccccc3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCN(CC1)C[*:1]
CCOc1ccc(CN2CCN(C(=O)C[C@@H](O)c3ccccc3)CC2)cc1 CCO[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CCOc1ccc(CN2CCN(C(=O)C[C@@H](O)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)CN1CCN(CC1)C(=O)C[C@@H](O)[*:1]
CN(C(=O)CNc1cccc(OC(F)(F)F)c1)C1(C#N)CCCCC1 FC(F)(F)[*:1] CN(C(=O)CNc1cccc(c1)O[*:1])C1(C#N)CCCCC1
CN(C(=O)CNc1cccc(OC(F)(F)F)c1)C1(C#N)CCCCC1 FC(F)(F)O[*:1] CN(C(=O)CNc1cccc(c1)[*:1])C1(C#N)CCCCC1
CN(C(=O)CNc1cccc(OC(F)(F)F)c1)C1(C#N)CCCCC1 N#CC1(CCCCC1)[*:1] CN(C(=O)CNc1cccc(c1)OC(F)(F)F)[*:1]
CSc1ccc(C(=O)O[C@@H](C)C(=O)NC2CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CSc1ccc(cc1[*:1])C(=O)O[C@@H](C)C(=O)NC1CC1
CSc1ccc(C(=O)O[C@@H](C)C(=O)NC2CC2)cc1[N+](=O)[O-] O=C(NC1CC1)[*:1] CSc1ccc(cc1[N+](=O)[O-])C(=O)O[C@@H](C)[*:1]
CSc1ccc(C(=O)O[C@@H](C)C(=O)NC2CC2)cc1[N+](=O)[O-] C1CC1[*:1] CSc1ccc(cc1[N+](=O)[O-])C(=O)O[C@@H](C)C(=O)N[*:1]
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C)s1 CC(C)C[*:1] C[C@@H]1CCCN([C@@H]1C)S(=O)(=O)c1ccc(CCNC(=O)[*:1])s1
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C)s1 CC(C)CC(=O)NC[*:1] C[C@@H]1CCCN([C@@H]1C)S(=O)(=O)c1ccc(C[*:1])s1
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C)s1 CC(C)[*:1] C[C@@H]1CCCN([C@@H]1C)S(=O)(=O)c1ccc(CCNC(=O)C[*:1])s1
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C)s1 CC(C)CC(=O)N[*:1] C[C@@H]1CCCN([C@@H]1C)S(=O)(=O)c1ccc(CC[*:1])s1
COc1ccc(NC(=O)Cc2c(C)c3ccc(O)c(C)c3oc2=O)cc1 COc1ccc(cc1)[*:1] Cc1c(CC(=O)N[*:1])c(=O)oc2c(C)c(O)ccc12
CC(C)Oc1cccnc1C(=O)NCc1cnn(Cc2ccccc2)c1 CC(C)O[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)c1ncccc1[*:1]
CC(C)Oc1cccnc1C(=O)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(C)Oc1cccnc1C(=O)NCc1cnn(c1)[*:1]
CC(C)Oc1cccnc1C(=O)NCc1cnn(Cc2ccccc2)c1 CC(C)[*:1] O=C(NCc1cnn(c1)Cc1ccccc1)c1ncccc1O[*:1]
CC(C)Oc1cccnc1C(=O)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)Oc1cccnc1C(=O)NCc1cnn(c1)C[*:1]
CCc1nn(C)cc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C CCc1nn(C)cc1[*:1] Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[*:1]
Fc1cccc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)n1 c1cc(ccn1)[*:1] Fc1cccc(n1)NCc1cn(nc1[*:1])-c1ccccc1
Fc1cccc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)n1 Fc1cccc(n1)N[*:1] c1ccc(cc1)-n1cc(C[*:1])c(n1)-c1ccncc1
Fc1cccc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)n1 c1ccc(cc1)[*:1] Fc1cccc(n1)NCc1cn(nc1-c1ccncc1)[*:1]
Fc1cccc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)n1 Fc1cccc(n1)[*:1] c1ccc(cc1)-n1cc(CN[*:1])c(n1)-c1ccncc1
COC(=O)c1cc(S(=O)(=O)N2CCCC2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])S(=O)(=O)N1CCCC1
CCCc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)s1 CN(C)[*:1] CCCc1ccc(CN2CCC[C@@H]2c2nc(ncc2-c2cc(C)no2)[*:1])s1
CCCc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)s1 CCCc1ccc(C[*:1])s1 Cc1cc(on1)-c1cnc(nc1[C@H]1CCCN1[*:1])N(C)C
CCCc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)s1 CCCc1ccc(s1)[*:1] Cc1cc(on1)-c1cnc(nc1[C@H]1CCCN1C[*:1])N(C)C
CCCc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)s1 Cc1cc(on1)[*:1] CCCc1ccc(CN2CCC[C@@H]2c2nc(ncc2[*:1])N(C)C)s1
CCCc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)s1 CCC[*:1] Cc1cc(on1)-c1cnc(nc1[C@H]1CCCN1Cc1ccc(s1)[*:1])N(C)C
O=C(CSc1nnc(CO)n1C1CC1)N1CCC[C@@H]2CCCC[C@@H]21 C1CC1[*:1] O=C(CSc1nnc(CO)n1[*:1])N1CCC[C@@H]2CCCC[C@@H]21
COc1ccc(-[n+]2noc([O-])c2S[C@H](C)C(=O)Nc2cccc(C)c2C)cc1 Cc1cccc(c1C)[*:1] COc1ccc(cc1)-[n+]1noc([O-])c1S[C@H](C)C(=O)N[*:1]
COc1ccc(-[n+]2noc([O-])c2S[C@H](C)C(=O)Nc2cccc(C)c2C)cc1 COc1ccc(cc1)[*:1] Cc1cccc(NC(=O)[C@@H](C)Sc2c([O-])on[n+]2[*:1])c1C
Cc1c(C)n(Cc2cccnc2)c2ncn3nc(CCN4C(=O)c5ccccc5C4=O)nc3c12 c1cncc(c1)[*:1] Cc1c(C)n(C[*:1])c2ncn3nc(CCN4C(=O)c5ccccc5C4=O)nc3c12
Cc1c(C)n(Cc2cccnc2)c2ncn3nc(CCN4C(=O)c5ccccc5C4=O)nc3c12 c1cncc(c1)C[*:1] Cc1c(C)n(c2ncn3nc(CCN4C(=O)c5ccccc5C4=O)nc3c12)[*:1]
Cc1c(C)n(Cc2cccnc2)c2ncn3nc(CCN4C(=O)c5ccccc5C4=O)nc3c12 O=C1c2ccccc2C(=O)N1[*:1] Cc1c(C)n(Cc2cccnc2)c2ncn3nc(CC[*:1])nc3c12
COCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] COCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)N[*:1]
COCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 COC[*:1] C[C@]1(Cn2c(cc3sccc32)C(=O)N1C[*:1])C(=O)NC1CCCCC1
COCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] COCCN1C(=O)c2cc3sccc3n2C[C@]1(C)[*:1]
COCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 COCC[*:1] C[C@]1(Cn2c(cc3sccc32)C(=O)N1[*:1])C(=O)NC1CCCCC1
CCCc1nnc(N(C)CCOCC)s1 CCO[*:1] CCCc1nnc(s1)N(C)CC[*:1]
CCCc1nnc(N(C)CCOCC)s1 CCC[*:1] CCOCCN(C)c1nnc(s1)[*:1]
CCCc1nnc(N(C)CCOCC)s1 CCOC[*:1] CCCc1nnc(s1)N(C)C[*:1]
CCCc1nnc(N(C)CCOCC)s1 CCOCC[*:1] CCCc1nnc(s1)N(C)[*:1]
C=CCn1nc2c(C)c(C)nc(-c3cccnc3)n2c1=O C=CC[*:1] Cc1nc(-c2cccnc2)n2c(=O)n(nc2c1C)[*:1]
C=CCn1nc2c(C)c(C)nc(-c3cccnc3)n2c1=O c1cncc(c1)[*:1] C=CCn1nc2c(C)c(C)nc(n2c1=O)[*:1]
Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)N[*:1]
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 C1CC1[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc2nc(oc2c1)[*:1]
Brc1cc(Br)c2nc(N3CCCC3)nc3nc(N4CCCC4)nc1-n-3-2 C1CCN(C1)[*:1] Brc1cc(Br)c2nc(nc3nc(nc1-n-3-2)N1CCCC1)[*:1]
O=C(Cn1c(=O)c2cccn2c2ccccc21)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1c(=O)c2cccn2c2ccccc21)N[*:1]
CC(C)OCCN1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 CC(C)[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)N1CCN(CCO[*:1])CC1
CC(C)OCCN1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 O=C1CCCN1[*:1] CC(C)OCCN1CCN(CC1)C(=O)Cc1ccc(cc1)[*:1]
CC(C)OCCN1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 CC(C)OCC[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)N1CCN(CC1)[*:1]
CC(C)OCCN1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 CC(C)OC[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)N1CCN(CC1)C[*:1]
CC(C)OCCN1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 CC(C)O[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)N1CCN(CC1)CC[*:1]
Cc1cncc(CCC(=O)[O-])c1 O=C([O-])C[*:1] Cc1cncc(c1)C[*:1]
Cc1cncc(CCC(=O)[O-])c1 O=C([O-])[*:1] Cc1cncc(c1)CC[*:1]
C[NH+](C)C[C@H](O)CNC(=O)CNC(=O)c1ccco1 c1coc(c1)[*:1] C[NH+](C)C[C@H](O)CNC(=O)CNC(=O)[*:1]
C[C@H](SCC(=O)N(C)CC(=O)NC1CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](SCC(=O)N(C)CC(=O)NC1CC1)[*:1]
C[C@H](SCC(=O)N(C)CC(=O)NC1CC1)c1ccc(F)cc1 O=C(C[*:1])NC1CC1 C[C@H](SCC(=O)N(C)[*:1])c1ccc(F)cc1
C[C@H](SCC(=O)N(C)CC(=O)NC1CC1)c1ccc(F)cc1 C1CC1[*:1] C[C@H](SCC(=O)N(C)CC(=O)N[*:1])c1ccc(F)cc1
C[C@H](SCC(=O)N(C)CC(=O)NC1CC1)c1ccc(F)cc1 O=C(NC1CC1)[*:1] C[C@H](SCC(=O)N(C)C[*:1])c1ccc(F)cc1
C[C@H](SC1CCOCC1)c1ccc(C(=O)[O-])o1 O=C([O-])[*:1] C[C@H](SC1CCOCC1)c1ccc(o1)[*:1]
C/C(=C/CC[NH2+]C1CC1)c1ccc(C)cc1 C1CC1[*:1] C/C(=C/CC[NH2+][*:1])c1ccc(C)cc1
C[C@H]1OCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 O=C([O-])[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1sc2CCCc2c1[*:1]
Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+]CCN2CCCS2(=O)=O)cc1 Cc1c[nH]c(=O)n1[*:1] C[C@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(cc1)[*:1]
Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+]CCN2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] Cc1c[nH]c(=O)n1-c1ccc(cc1)[C@H](C)[NH2+]CC[*:1]
Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+]CCN2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1C[*:1] Cc1c[nH]c(=O)n1-c1ccc(cc1)[C@H](C)[NH2+]C[*:1]
CC(C)c1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n(C)n1 O=C([O-])[*:1] CC(C)c1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)[*:1])n(C)n1
CC(C)c1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[*:1]
CN(CC(=O)[O-])c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(Cl)cc2)n1 O=C([O-])[*:1] CN(C[*:1])c1ncc(c(n1)-c1ccc(Cl)cc1)-c1nnnn1-c1ccccc1
CN(CC(=O)[O-])c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CN(CC(=O)[O-])c1ncc(c(n1)[*:1])-c1nnnn1-c1ccccc1
CN(CC(=O)[O-])c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(Cl)cc2)n1 c1ccc(cc1)[*:1] CN(CC(=O)[O-])c1ncc(c(n1)-c1ccc(Cl)cc1)-c1nnnn1[*:1]
CC[C@@H](C)SCC(=O)Cc1nc(C(C)(C)C)cs1 CC[C@@H](C)[*:1] CC(C)(C)c1csc(CC(=O)CS[*:1])n1
CC[C@@H](C)SCC(=O)Cc1nc(C(C)(C)C)cs1 CC[C@@H](C)SC[*:1] CC(C)(C)c1csc(CC(=O)[*:1])n1
CC[C@@H](C)SCC(=O)Cc1nc(C(C)(C)C)cs1 CC[C@@H](C)S[*:1] CC(C)(C)c1csc(CC(=O)C[*:1])n1
CC[C@@H](C)SCC(=O)Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CC[C@@H](C)SCC(=O)Cc1nc(cs1)[*:1]
CC(=O)N[C@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)C(C)C CC(=O)N[*:1] CC(C)[C@@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(=O)N[C@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)[*:1]
CC1=C(C(=O)N(C)C)[C@H](c2ccsc2)NC(=S)N1C1CC1 C1CC1[*:1] CC1=C(C(=O)N(C)C)[C@@H](NC(=S)N1[*:1])c1ccsc1
CC1=C(C(=O)N(C)C)[C@H](c2ccsc2)NC(=S)N1C1CC1 c1cc(cs1)[*:1] CC1=C(C(=O)N(C)C)[C@H](NC(=S)N1C1CC1)[*:1]
CC1=C(C(=O)N(C)C)[C@H](c2ccsc2)NC(=S)N1C1CC1 CN(C)C(=O)[*:1] CC1=C([C@@H](NC(=S)N1C1CC1)c1ccsc1)[*:1]
CCOc1ccccc1OC(=O)c1ccc(-n2cccc2)nc1 CCO[*:1] O=C(Oc1ccccc1[*:1])c1ccc(nc1)-n1cccc1
CCOc1ccccc1OC(=O)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] CCOc1ccccc1OC(=O)c1ccc(nc1)[*:1]
Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](N2CCCC2=O)C1 O=C1CCCN1[*:1] Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](C1)[*:1]
CC[C@H](C)[C@H]([NH2+]C)[C@@H]1CN2CCC[C@@H]2CO1 CC[C@H](C)[*:1] C[NH2+][C@H]([C@@H]1CN2CCC[C@@H]2CO1)[*:1]
Cc1ccc2c(c1)N(CC(=O)NC1CC1)C(=O)[C@@H](C)O2 O=C(NC1CC1)[*:1] Cc1ccc2O[C@H](C)C(=O)N(C[*:1])c2c1
Cc1ccc2c(c1)N(CC(=O)NC1CC1)C(=O)[C@@H](C)O2 C1CC1[*:1] Cc1ccc2O[C@H](C)C(=O)N(CC(=O)N[*:1])c2c1
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)C(C2CC2)C2CC2)cc1 CC(C)[*:1] CN(C(=O)Nc1ccc(cc1)CC(=O)N[*:1])C(C1CC1)C1CC1
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)C(C2CC2)C2CC2)cc1 C1CC1[*:1] CC(C)NC(=O)Cc1ccc(cc1)NC(=O)N(C)C(C1CC1)[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)C(C2CC2)C2CC2)cc1 CC(C)NC(=O)C[*:1] CN(C(=O)Nc1ccc(cc1)[*:1])C(C1CC1)C1CC1
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)C(C2CC2)C2CC2)cc1 CC(C)NC(=O)[*:1] CN(C(=O)Nc1ccc(cc1)C[*:1])C(C1CC1)C1CC1
CC(C)NC(=O)Cc1ccc(NC(=O)N(C)C(C2CC2)C2CC2)cc1 C1CC1C(C1CC1)[*:1] CC(C)NC(=O)Cc1ccc(cc1)NC(=O)N(C)[*:1]
CSCc1ccnc(N2CCO[C@H](c3ccc(C)cc3C)C2)c1 CSC[*:1] Cc1ccc(c(C)c1)[C@@H]1CN(CCO1)c1cc(ccn1)[*:1]
O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCN(CC1)[*:1]
Cn1c(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)nnc1[C@H]1COc2ccccc2O1 c1csc(c1)[*:1] Cn1c(nnc1[C@H]1COc2ccccc2O1)SCC(=O)N1CCN(CC1)C(=O)[*:1]
O=C(NCCN1C(=O)CSC1=O)c1cc(=O)[nH]c2ccccc12 O=C1CSC(=O)N1[*:1] O=C(NCC[*:1])c1cc(=O)[nH]c2ccccc12
COc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(C)cc2)c1OC O=C(N[*:1])c1ccccc1 COc1cccc(C=C(C(=O)Nc2ccc(C)cc2)[*:1])c1OC
COc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(C)cc2)c1OC COc1cccc(c1OC)[*:1] Cc1ccc(cc1)NC(=O)C(=C[*:1])NC(=O)c1ccccc1
COc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(C)cc2)c1OC c1ccc(cc1)[*:1] COc1cccc(/C=C(\NC(=O)[*:1])C(=O)Nc2ccc(C)cc2)c1OC
COc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(C)cc2)c1OC Cc1ccc(cc1)NC(=O)[*:1] COc1cccc(/C=C(\NC(=O)c2ccccc2)[*:1])c1OC
COc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(C)cc2)c1OC Cc1ccc(cc1)[*:1] COc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[*:1])c1OC
Cn1c(SC[C@@H](O)c2cccc(F)c2)nnc1-c1ccccc1F Fc1ccccc1[*:1] Cn1c(nnc1[*:1])SC[C@@H](O)c1cccc(F)c1
Cn1c(SC[C@@H](O)c2cccc(F)c2)nnc1-c1ccccc1F Fc1cccc(c1)[*:1] Cn1c(nnc1-c1ccccc1F)SC[C@@H](O)[*:1]
[NH3+]CCNC(=O)[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 [NH3+]CCNC(=O)[*:1] Fc1cc(Cl)cnc1N1CCC[C@H](C1)[*:1]
[NH3+]CCNC(=O)[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 [NH3+]CC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ncc(Cl)cc1F
CCC(CC)NC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 CCC(CC)[*:1] CC(C)[C@H](CNC(=O)N[*:1])[NH+]1CCCC1
CCC(CC)NC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 CC(C)[*:1] CCC(CC)NC(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
NC(=O)c1cccc(CS(=O)(=O)C[C@@H](O)Cn2cccn2)c1 c1cnn(c1)C[*:1] NC(=O)c1cccc(c1)CS(=O)(=O)C[C@@H](O)[*:1]
NC(=O)c1cccc(CS(=O)(=O)C[C@@H](O)Cn2cccn2)c1 NC(=O)[*:1] O=S(=O)(Cc1cccc(c1)[*:1])C[C@@H](O)Cn1cccn1
NC(=O)c1cccc(CS(=O)(=O)C[C@@H](O)Cn2cccn2)c1 c1cnn(c1)[*:1] NC(=O)c1cccc(c1)CS(=O)(=O)C[C@@H](O)C[*:1]
O=C(c1ccc(Br)cc1)N1CCC[NH+](CC2CC2)CC1 C1CC1[*:1] O=C(c1ccc(Br)cc1)N1CCC[NH+](CC1)C[*:1]
O=C(c1ccc(Br)cc1)N1CCC[NH+](CC2CC2)CC1 C1CC1C[*:1] O=C(c1ccc(Br)cc1)N1CCC[NH+](CC1)[*:1]
C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)=[NH+]C(=O)[NH+]=3)cc1 C[C@@H]1CCCCN1C(=O)[*:1] O=C1[NH+]=c2ccc(cc2=[NH+]1)S(=O)(=O)Nc1ccc(cc1)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 C[C@@H]1OCC[C@@H]1[*:1] O=C(N1CCC[C@@H](CC1)[NH+]1CCCC1)[*:1]
CCc1ccccc1NC(=O)CCN1C[C@H](C(=O)[O-])CC1=O O=C([O-])[*:1] CCc1ccccc1NC(=O)CCN1C[C@H](CC1=O)[*:1]
CCSc1ccc(Cl)cc1C(=O)Nc1cccnc1C CCS[*:1] Cc1ncccc1NC(=O)c1cc(Cl)ccc1[*:1]
N#CC(C#N)C1=NC2(CCCCC2)[NH+]=C1N N#CC(C#N)[*:1] NC1=[NH+]C2(CCCCC2)N=C1[*:1]
COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])N1C(=O)C(C)(C)CS1(=O)=O
COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)NC[*:1])N1C(=O)C(C)(C)CS1(=O)=O
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 C[C@H](Cc1cccs1)[*:1] CN(C(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1CCN(C1)C(=O)O[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C
Cc1cccc(NC(=S)N(Cc2cccnc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 c1cncc(c1)[*:1] Cc1cccc(c1)NC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[*:1]
Cc1cccc(NC(=S)N(Cc2cccnc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 Cc1cccc(c1)[*:1] Cc1cc2cc(CN(Cc3cccnc3)C(=S)N[*:1])c(=O)[nH]c2cc1C
Cc1cccc(NC(=S)N(Cc2cccnc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 c1cncc(c1)C[*:1] Cc1cccc(c1)NC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C Cn1c(nnc1[*:1])C1CC1 CN(C[*:1])C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C
CN(Cc1nnc(C2CC2)n1C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C
CN(Cc1nnc(C2CC2)n1C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C Fc1cccc(c1)[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)NC[C@H]([NH+](C)C)[*:1]
CC[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)[*:1]
CN(C)S(=O)(=O)N1CC[C@@H](Oc2cc(N3CCCC3)ncn2)C1 C1CCN(C1)[*:1] CN(C)S(=O)(=O)N1CC[C@H](C1)Oc1cc(ncn1)[*:1]
CCc1ccsc1CNC[C@@H](C[NH3+])C(C)C CC(C)[*:1] CCc1ccsc1CNC[C@@H](C[NH3+])[*:1]
CS(=O)(=O)c1ccc(F)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(F)c(c1)NC(=O)C=C[*:1]
CS(=O)(=O)c1ccc(F)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 CS(=O)(=O)[*:1] O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(ccc1F)[*:1]
O=C(OCc1ccccc1)[C@H](Br)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(OCc1ccccc1)[C@H](Br)C[*:1]
O=C(OCc1ccccc1)[C@H](Br)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(OC[*:1])[C@H](Br)Cc1ccccc1
CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)N1CCOCC1 CC(C)C(=O)NC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCOCC1
CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)C(=O)NCc1nc2ccccc2n1C[*:1]
CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)N1CCOCC1 CC(C)C(=O)N[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)N1CCOCC1
CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)N1CCOCC1 CC(C)[*:1] O=C(Cn1c(CNC(=O)[*:1])nc2ccccc21)N1CCOCC1
CC(C)C[NH2+]Cc1cc(F)ccc1N1CCC(C)(C)C1 CC(C)C[*:1] CC1(C)CCN(C1)c1ccc(F)cc1C[NH2+][*:1]
CC(C)C[NH2+]Cc1cc(F)ccc1N1CCC(C)(C)C1 CC(C)[*:1] CC1(C)CCN(C1)c1ccc(F)cc1C[NH2+]C[*:1]
c1ccc(-c2cn[nH]c2[C@@H]2CCCN(c3nnnn3-c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-n1nnnc1N1CCC[C@H](C1)c1[nH]ncc1[*:1]
c1ccc(-c2cn[nH]c2[C@@H]2CCCN(c3nnnn3-c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1cn[nH]c1[C@@H]1CCCN(C1)c1nnnn1[*:1]
Cc1cccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 Cc1cccc(c1)[*:1] N#Cc1ccnc(c1)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
Cc1cccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 N#Cc1ccnc(c1)[*:1] Cc1cccc(c1)[C@H]1C[C@H]1C(=O)N1CCN(CC1)[*:1]
COC(=O)C(=C/C(Br)=C/N(C)C)C(=O)OC CN(C)[*:1] COC(=O)C(=CC(Br)=C[*:1])C(=O)OC
COC(=O)C(=C/C(Br)=C/N(C)C)C(=O)OC COC(=O)[*:1] COC(=O)C(=C/C(Br)=C/N(C)C)[*:1]
Cc1ccsc1C(=O)NNC(=O)NCc1cccc(Cn2cccn2)c1 Cc1ccsc1[*:1] O=C(NCc1cccc(c1)Cn1cccn1)NNC(=O)[*:1]
Cc1ccsc1C(=O)NNC(=O)NCc1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] Cc1ccsc1C(=O)NNC(=O)NCc1cccc(c1)[*:1]
Cc1ccsc1C(=O)NNC(=O)NCc1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] Cc1ccsc1C(=O)NNC(=O)NCc1cccc(c1)C[*:1]
C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 O=C(c1ccccc1)[*:1] C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCC[C@@H]1C[*:1]
C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCC[C@@H]1CC(=O)[*:1]
CCc1ccccc1NC(=O)CCCc1nc(-c2ccc(C)cc2)no1 CCc1ccccc1[*:1] Cc1ccc(cc1)-c1noc(CCCC(=O)N[*:1])n1
CCc1ccccc1NC(=O)CCCc1nc(-c2ccc(C)cc2)no1 Cc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)CCCc1nc(no1)[*:1]
Cc1cc(C)cc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)N1CCC(CC1)c1nc(no1)[*:1]
Cc1cc(C)cc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])N1CCC(CC1)c1nc(no1)-c1ccccc1
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1cccc(c1)S(=O)(=O)N[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 O=S(=O)(Nc1ccccc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1cccc(c1)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)S(=O)(=O)Nc1ccccc1
CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccs1 CC(C)(C)[*:1] O=C(CNC(=O)c1cccs1)N[C@@H]1CCCC[C@@H]1[*:1]
CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CNC(=O)[*:1]
Cc1cnn(C[C@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)c1 N#Cc1ccc(cc1)[*:1] Cc1cnn(c1)C[C@H]1CN(CCCO[*:1])CCO1
Cc1cnn(C[C@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)c1 Cc1cnn(c1)[*:1] N#Cc1ccc(cc1)OCCCN1CCO[C@H](C1)C[*:1]
Cc1cnn(C[C@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)c1 Cc1cnn(c1)C[*:1] N#Cc1ccc(cc1)OCCCN1CCO[C@H](C1)[*:1]
CC(C)Cn1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2c1=O O=[N+]([O-])c1cccc(c1)[*:1] CC(C)Cn1nc(C(=O)N[*:1])c2ccccc2c1=O
CC(C)Cn1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2c1=O CC(C)C[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1nn(c(=O)c2ccccc12)[*:1]
CC(C)Cn1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2c1=O CC(C)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1nn(C[*:1])c(=O)c2ccccc12
CC(C)Cn1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2c1=O O=[N+]([O-])[*:1] CC(C)Cn1nc(C(=O)Nc2cccc(c2)[*:1])c2ccccc2c1=O
SCC1(COCCc2cccs2)CCCCCC1 c1csc(c1)[*:1] SCC1(CCCCCC1)COCC[*:1]
SCC1(COCCc2cccs2)CCCCCC1 c1csc(c1)C[*:1] SCC1(CCCCCC1)COC[*:1]
Cc1ccc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)N[*:1])C(F)(F)F
Cc1ccc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)c(Br)c1 FC(F)(F)[*:1] Cc1ccc(NC(=O)Cc2c(C)nc3nc(nn3c2C)[*:1])c(Br)c1
CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(OC)cc3)nc12 c1ccc(C[*:1])nc1 CCOc1cccc2sc(nc12)N(C(=O)c1ccc(cc1)OC)[*:1]
CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(OC)cc3)nc12 COc1ccc(cc1)[*:1] CCOc1cccc2sc(nc12)N(Cc1ccccn1)C(=O)[*:1]
CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(OC)cc3)nc12 c1ccc(nc1)[*:1] CCOc1cccc2sc(nc12)N(C[*:1])C(=O)c1ccc(cc1)OC
CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(OC)cc3)nc12 CCO[*:1] COc1ccc(cc1)C(=O)N(Cc1ccccn1)c1nc2c(cccc2s1)[*:1]
C[NH2+][C@@H](C)c1ccnc(Oc2cccc(C(C)C)c2)c1 CC(C)[*:1] C[NH2+][C@@H](C)c1ccnc(c1)Oc1cccc(c1)[*:1]
CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)C(C)C)CC1 CC(C)[*:1] CCC(=O)N1CCN(CC1)c1ccc(Cl)cc1NC(=S)NC(=O)[*:1]
CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2cc(CC)nn2C)C1 Cc1ccccc1C[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)c1cc(CC)nn1C)[*:1]
CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2cc(CC)nn2C)C1 CCc1cc(n(C)n1)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1ccccc1C
CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2cc(CC)nn2C)C1 Cc1ccccc1[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)c1cc(CC)nn1C)C[*:1]
CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2cc(CC)nn2C)C1 CCOC(=O)[*:1] CCc1cc(C(=O)N2CCC[C@](Cc3ccccc3C)(C2)[*:1])n(C)n1
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 C[C@@H](Oc1ccccc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1 NS(=O)(=O)[*:1] O=C(CCCSc1ccccc1)Nc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1 c1ccc(cc1)S[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CCC[*:1]
NS(=O)(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CCCS[*:1]
Cn1cc(/C=C/C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c(=O)n(C)c1=O Fc1ccccc1C[*:1] Cn1cc(/C=C/C(=O)Nc2ccc3nc([nH]c3c2)[*:1])c(=O)n(C)c1=O
Cn1cc(/C=C/C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c(=O)n(C)c1=O Cn1cc(c(=O)n(C)c1=O)[*:1] O=C(C=C[*:1])Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1
Cn1cc(/C=C/C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c(=O)n(C)c1=O Fc1ccccc1[*:1] Cn1cc(/C=C/C(=O)Nc2ccc3nc(C[*:1])[nH]c3c2)c(=O)n(C)c1=O
CN1CC[C@H](n2ccnc2-c2cnc(-c3ccccn3)nc2)C1=O c1ccc(nc1)[*:1] CN1CC[C@@H](C1=O)n1ccnc1-c1cnc(nc1)[*:1]
CCC(C)(C)C(=O)N[C@H](C)C(=O)N1CCCCC1 CCC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCCCC1
CCCOc1cc(N2C[C@@H](C(=O)OC)[C@@H](C)C2)ncn1 CCCO[*:1] COC(=O)[C@@H]1CN(C[C@@H]1C)c1cc(ncn1)[*:1]
CCCOc1cc(N2C[C@@H](C(=O)OC)[C@@H](C)C2)ncn1 COC(=O)[*:1] CCCOc1cc(ncn1)N1C[C@@H]([C@@H](C)C1)[*:1]
CCCOc1cc(N2C[C@@H](C(=O)OC)[C@@H](C)C2)ncn1 CCC[*:1] COC(=O)[C@@H]1CN(C[C@@H]1C)c1cc(ncn1)O[*:1]
Cc1cc(NC(=O)CCSC2CCCC2)no1 C1CCC(C1)[*:1] Cc1cc(no1)NC(=O)CCS[*:1]
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)s1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1ccc(o1)[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)c1ccc(o1)[N+](=O)[O-])[*:1]
CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2c(OC)ccc3ccccc23)cc1 CCO[*:1] COc1ccc2ccccc2c1/C=N/n1c(n[nH]c1=S)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2c(OC)ccc3ccccc23)cc1 CCOc1ccc(cc1)[*:1] COc1ccc2ccccc2c1/C=N/n1c(n[nH]c1=S)[*:1]
Cc1nc(NCc2nc(Cc3ccccc3)no2)c2nc(C)oc2n1 c1ccc(cc1)[*:1] Cc1nc(NCc2nc(C[*:1])no2)c2nc(C)oc2n1
Cc1nc(NCc2nc(Cc3ccccc3)no2)c2nc(C)oc2n1 c1ccc(cc1)C[*:1] Cc1nc(NCc2nc(no2)[*:1])c2nc(C)oc2n1
COc1ccccc1C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2nccnc21 COc1ccccc1[*:1] O=C(NCCn1nc(c2nccnc21)[C@H]1CC[NH2+]C1)[*:1]
c1ccc2[nH]c(CCc3nc(-c4ccncc4)no3)nc2c1 c1cc(ccn1)[*:1] c1ccc2[nH]c(CCc3nc(no3)[*:1])nc2c1
C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2Cl)C[C@H](C)O1 CC(C)(C)C[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC(C)(C)[*:1]
C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2Cl)C[C@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC(C)(C)C[*:1]
C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2Cl)C[C@H](C)O1 CC(C)(C)CC(C)(C)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
CC(C)(O)CC[C@]1(C(=O)[O-])CCOc2ccccc21 CC(C)(O)[*:1] O=C([O-])[C@]1(CCOc2ccccc21)CC[*:1]
CC(C)(O)CC[C@]1(C(=O)[O-])CCOc2ccccc21 CC(C)(O)CC[*:1] O=C([O-])[C@@]1(CCOc2ccccc21)[*:1]
CC(C)(O)CC[C@]1(C(=O)[O-])CCOc2ccccc21 O=C([O-])[*:1] CC(C)(O)CC[C@@]1(CCOc2ccccc21)[*:1]
CC(C)(O)CC[C@]1(C(=O)[O-])CCOc2ccccc21 CC(C)(O)C[*:1] O=C([O-])[C@]1(CCOc2ccccc21)C[*:1]
Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)[*:1])-c1ccsc1
Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(c2ncccn2)CC1 c1cc(cs1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)c1ncccn1)[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)NCCc2c[nH]c3c(C)cccc23)s1 Cc1nc(C)c(s1)[*:1] Cc1cccc2c(c[nH]c12)CCNC(=O)N(C)[C@H](C)[*:1]
Cc1nn(-c2ccccc2)cc1C[NH2+][C@](C)(CO)C1CC1 C1CC1[*:1] Cc1nn(cc1C[NH2+][C@](C)(CO)[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)cc1C[NH2+][C@](C)(CO)C1CC1 c1ccc(cc1)[*:1] Cc1nn(cc1C[NH2+][C@](C)(CO)C1CC1)[*:1]
C[C@H](NCc1ccnc(OC2CCCCC2)c1)c1ccc2[nH]c(=O)[nH]c2c1 C1CCC(CC1)O[*:1] C[C@H](NCc1ccnc(c1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
C[C@H](NCc1ccnc(OC2CCCCC2)c1)c1ccc2[nH]c(=O)[nH]c2c1 C1CCC(CC1)[*:1] C[C@H](NCc1ccnc(c1)O[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CNC(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H](C)c2ccccc2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)N(C)C[C@@H](C)c1ccccc1
CNC(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H](C)c2ccccc2)c1C c1ccc(cc1)[*:1] CNC(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H](C)[*:1])c1C
CNC(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H](C)c2ccccc2)c1C C[C@@H](c1ccccc1)[*:1] CNC(=O)c1cccc(NC(=O)C(=O)N(C)C[*:1])c1C
Cc1nc(/C=C/C(=O)Nc2cc(Br)ccc2-n2cccn2)cs1 c1cnn(c1)[*:1] Cc1nc(/C=C/C(=O)Nc2cc(Br)ccc2[*:1])cs1
Cc1nc(/C=C/C(=O)Nc2cc(Br)ccc2-n2cccn2)cs1 Cc1nc(cs1)[*:1] O=C(C=C[*:1])Nc1cc(Br)ccc1-n1cccn1
CN(CCOc1ccccc1F)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 Fc1ccccc1[*:1] CN(CCO[*:1])C(=O)c1cn(C)nc1-c1ccc(cc1)[N+](=O)[O-]
CN(CCOc1ccccc1F)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(CCOc1ccccc1F)C(=O)c1cn(C)nc1-c1ccc(cc1)[*:1]
CN(CCOc1ccccc1F)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 Fc1ccccc1O[*:1] CN(CC[*:1])C(=O)c1cn(C)nc1-c1ccc(cc1)[N+](=O)[O-]
CN(CCOc1ccccc1F)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CN(CCOc1ccccc1F)C(=O)c1cn(C)nc1[*:1]
CN(CCOc1ccccc1F)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 Fc1ccccc1OC[*:1] CN(C[*:1])C(=O)c1cn(C)nc1-c1ccc(cc1)[N+](=O)[O-]
CCCC[C@H]1C(=O)N(C)CCN1Cc1nc(C(=O)OC)co1 CCC[*:1] COC(=O)c1coc(CN2CCN(C)C(=O)[C@@H]2C[*:1])n1
CCCC[C@H]1C(=O)N(C)CCN1Cc1nc(C(=O)OC)co1 COC(=O)[*:1] CCCC[C@H]1C(=O)N(C)CCN1Cc1nc(co1)[*:1]
CCCC[C@H]1C(=O)N(C)CCN1Cc1nc(C(=O)OC)co1 CCCC[*:1] COC(=O)c1coc(CN2CCN(C)C(=O)[C@@H]2[*:1])n1
O=C(NCCCC1[NH+]=c2ccccc2=[NH+]1)C1CCN([C@H]2N=N[C@@H](N3CCCC3=O)S2)CC1 O=C1CCCN1[*:1] O=C(NCCCC1[NH+]=c2ccccc2=[NH+]1)C1CCN(CC1)[C@H]1N=N[C@@H](S1)[*:1]
CCc1nn(C)cc1C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1C[*:1] CCc1nn(C)cc1C(=O)N[C@@H](c1ccccc1)[*:1]
CCc1nn(C)cc1C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1[*:1] CCc1nn(C)cc1C(=O)N[C@@H](C[*:1])c1ccccc1
CCc1nn(C)cc1C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 CCc1nn(C)cc1[*:1] O=C1CCCN1C[C@H](NC(=O)[*:1])c1ccccc1
CCc1nn(C)cc1C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)N[C@@H](CN1CCCC1=O)[*:1]
O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[*:1]
O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N[*:1]
C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]CCc1n[nH]c(-c2ccco2)n1 c1coc(c1)[*:1] C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]CCc1n[nH]c(n1)[*:1]
C[NH+](C)[C@H](CNc1cnc2ccccc2n1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@H](CNc1cnc2ccccc2n1)[*:1]
OCCCSc1nnc(C2CC2)n1Cc1ccco1 C1CC1[*:1] OCCCSc1nnc(n1Cc1ccco1)[*:1]
OCCCSc1nnc(C2CC2)n1Cc1ccco1 c1coc(c1)[*:1] OCCCSc1nnc(C2CC2)n1C[*:1]
OCCCSc1nnc(C2CC2)n1Cc1ccco1 OCC[*:1] c1coc(c1)Cn1c(nnc1C1CC1)SC[*:1]
OCCCSc1nnc(C2CC2)n1Cc1ccco1 OCCCS[*:1] c1coc(c1)Cn1c(nnc1[*:1])C1CC1
OCCCSc1nnc(C2CC2)n1Cc1ccco1 c1coc(c1)C[*:1] OCCCSc1nnc(C2CC2)n1[*:1]
OCCCSc1nnc(C2CC2)n1Cc1ccco1 OCCC[*:1] c1coc(c1)Cn1c(nnc1C1CC1)S[*:1]
Cc1cc(NC(=O)C[NH+](C)Cc2ccccc2)on1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)C[NH+](C)C[*:1])on1
Cc1cc(NC(=O)C[NH+](C)Cc2ccccc2)on1 Cc1cc(on1)[*:1] C[NH+](CC(=O)N[*:1])Cc1ccccc1
CCCCN(CC)c1ccc(C#N)cn1 CCC[*:1] CCN(C[*:1])c1ccc(C#N)cn1
CCCCN(CC)c1ccc(C#N)cn1 CCCC[*:1] CCN(c1ccc(C#N)cn1)[*:1]
COc1cc(C)ccc1NC(=O)c1cccc(-n2ccnc2SC)c1 CSc1nccn1[*:1] COc1cc(C)ccc1NC(=O)c1cccc(c1)[*:1]
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 CC(C)(C)OC(=O)[*:1] CC1NC(=O)N[C@@H](C=1[*:1])c1ccc(cc1)C(C)C
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 CC(C)(C)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)O[*:1])c1ccc(cc1)C(C)C
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 CC(C)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OC(C)(C)C)c1ccc(cc1)[*:1]
CCN(Cc1cccc(C)n1)C[C@H](C[NH3+])C(C)C CC(C)[*:1] CCN(Cc1cccc(C)n1)C[C@H](C[NH3+])[*:1]
O=C(NCCCn1cnc2ccccc21)c1ccc(Cl)cc1N1CCCC1=O O=C1CCCN1[*:1] O=C(NCCCn1cnc2ccccc21)c1ccc(Cl)cc1[*:1]
O=C(NCCCn1cnc2ccccc21)c1ccc(Cl)cc1N1CCCC1=O c1ccc2c(c1)ncn2[*:1] O=C(NCCC[*:1])c1ccc(Cl)cc1N1CCCC1=O
CC(C)CCN(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C1CCCC1 CC(C)[*:1] C[C@H](O)[C@H](NC(=O)N(CC[*:1])C1CCCC1)C(=O)[O-]
CC(C)CCN(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C1CCCC1 CC(C)C[*:1] C[C@H](O)[C@H](NC(=O)N(C[*:1])C1CCCC1)C(=O)[O-]
CC(C)CCN(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C1CCCC1 C[C@H](O)[*:1] CC(C)CCN(C(=O)N[C@H](C(=O)[O-])[*:1])C1CCCC1
CC(C)CCN(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C1CCCC1 CC(C)CC[*:1] C[C@H](O)[C@H](NC(=O)N(C1CCCC1)[*:1])C(=O)[O-]
CC(C)CCN(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C1CCCC1 O=C([O-])[*:1] CC(C)CCN(C(=O)N[C@H]([C@H](C)O)[*:1])C1CCCC1
CC(C)CCN(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C1CCCC1 C1CCC(C1)[*:1] CC(C)CCN(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)[*:1]
C[C@H](NC(=O)CCCn1ccnn1)c1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CCCn1ccnn1)c1nnnn1[*:1]
C[C@H](NC(=O)CCCn1ccnn1)c1nnnn1-c1ccccc1 c1cn(CC[*:1])nn1 C[C@H](NC(=O)C[*:1])c1nnnn1-c1ccccc1
C[C@H](NC(=O)CCCn1ccnn1)c1nnnn1-c1ccccc1 c1cn(C[*:1])nn1 C[C@H](NC(=O)CC[*:1])c1nnnn1-c1ccccc1
C[C@H](NC(=O)CCCn1ccnn1)c1nnnn1-c1ccccc1 c1cn(CCC[*:1])nn1 C[C@H](NC(=O)[*:1])c1nnnn1-c1ccccc1
C[C@H](NC(=O)CCCn1ccnn1)c1nnnn1-c1ccccc1 c1cn(nn1)[*:1] C[C@H](NC(=O)CCC[*:1])c1nnnn1-c1ccccc1
Cc1cccc(NC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)N[C@@H]2CCCc3c2cnn3C[*:1])c1C
Cc1cccc(NC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1C Cc1cccc(c1C)[*:1] O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)N[*:1]
Cc1cccc(NC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1C c1ccc(cc1)C[*:1] Cc1cccc(NC(=O)N[C@@H]2CCCc3c2cnn3[*:1])c1C
COc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c(OC)c1 O=C(N1CCOCC1)[*:1] COc1ccc(c(c1)OC)N(C[*:1])S(=O)(=O)c1ccccc1
COc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c(OC)c1 O=C(C[*:1])N1CCOCC1 COc1ccc(c(c1)OC)N(S(=O)(=O)c1ccccc1)[*:1]
COc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)N(CC(=O)N1CCOCC1)S(=O)(=O)[*:1]
Cc1ccc(CN2CCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]3C2)cc1C C[C@@H](O)[*:1] Cc1ccc(cc1C)CN1CCN2C(=O)[C@H](NC(=O)[C@H]2C1)[*:1]
Cc1ccc(CN2CCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]3C2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](O)[C@@H]1NC(=O)[C@H]2CN(CCN2C1=O)C[*:1]
Cc1ccccc1NCC(=O)N/N=C/c1ccc2c(c1)OCO2 Cc1ccccc1[*:1] O=C(CN[*:1])N/N=C/c1ccc2OCOc2c1
C=CCNC(=O)Cc1sc(C)nc1-c1cccs1 C=CC[*:1] Cc1nc(-c2cccs2)c(CC(=O)N[*:1])s1
C=CCNC(=O)Cc1sc(C)nc1-c1cccs1 C=CCNC(=O)[*:1] Cc1nc(-c2cccs2)c(C[*:1])s1
C=CCNC(=O)Cc1sc(C)nc1-c1cccs1 c1csc(c1)[*:1] C=CCNC(=O)Cc1sc(C)nc1[*:1]
Cc1cc(C)n(C2C[NH+](CC(=O)Nc3c(C)n[nH]c3C)C2)n1 Cc1n[nH]c(C)c1[*:1] Cc1cc(C)n(n1)C1C[NH+](CC(=O)N[*:1])C1
Cc1cc(C)n(C2C[NH+](CC(=O)Nc3c(C)n[nH]c3C)C2)n1 Cc1cc(C)n(n1)[*:1] Cc1n[nH]c(C)c1NC(=O)C[NH+]1CC(C1)[*:1]
Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4cncs4)CC3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](c1nc(no1)[*:1])N1CCN(CC1)Cc1cncs1
Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4cncs4)CC3)n2)cc1 c1ncc(s1)[*:1] Cc1ccc(cc1)-c1noc(n1)[C@H](C)N1CCN(CC1)C[*:1]
Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4cncs4)CC3)n2)cc1 c1ncc(C[*:1])s1 Cc1ccc(cc1)-c1noc(n1)[C@H](C)N1CCN(CC1)[*:1]
CCCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O CCC[*:1] O=C1[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C(=O)N1C[*:1]
CCCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O CCCC[*:1] O=C1[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C(=O)N1[*:1]
O=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1nccs1 O=S(=O)(N1CCCCC1)[*:1] O=C(CCn1cnc2cc(ccc21)[*:1])Nc1nccs1
O=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1nccs1 O=C(Nc1nccs1)[*:1] O=S(=O)(c1ccc2c(c1)ncn2CC[*:1])N1CCCCC1
O=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1nccs1 O=C(C[*:1])Nc1nccs1 O=S(=O)(c1ccc2c(c1)ncn2C[*:1])N1CCCCC1
O=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1nccs1 c1csc(n1)[*:1] O=C(CCn1cnc2cc(ccc21)S(=O)(=O)N1CCCCC1)N[*:1]
CC(C)c1ccc(NC(=O)C(=O)NCC2(C)CCCC2)cc1 CC1(CCCC1)[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
CC(C)c1ccc(NC(=O)C(=O)NCC2(C)CCCC2)cc1 CC(C)[*:1] CC1(CCCC1)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)C(=O)NCC2(C)CCCC2)cc1 CC1(CCCC1)C[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)N[*:1]
C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)[*:1]
C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cnn(C)c1 C=CC[*:1] Cn1cc(cn1)S(=O)(=O)N(Cc1cccc(C#N)c1)[*:1]
c1ccc(CCCOC[C@H]2CSc3ccccc32)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)SC[C@@H]2COCCC[*:1]
CN1C(=O)[C@]2(c3ccccc31)[C@@H](C(=O)NC1CCCCC1)C[C@H]1CCCN12 O=C(NC1CCCCC1)[*:1] CN1C(=O)[C@]2(c3ccccc31)[C@@H](C[C@H]1CCCN12)[*:1]
CN1C(=O)[C@]2(c3ccccc31)[C@@H](C(=O)NC1CCCCC1)C[C@H]1CCCN12 C1CCC(CC1)[*:1] CN1C(=O)[C@]2(c3ccccc31)[C@H](C[C@H]1CCCN12)C(=O)N[*:1]
Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1C(F)(F)F c1ccc(cc1)[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)C[C@@H](NC(N)=O)[*:1]
Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)C[C@@H](NC(N)=O)c1ccccc1
Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1C(F)(F)F NC(=O)N[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)C[C@@H](c1ccccc1)[*:1]
COc1ccc([C@@H](CNC(=O)c2coc3ccccc3c2=O)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1coc2ccccc2c1=O)[*:1]
COc1ccc([C@@H](CNC(=O)c2coc3ccccc3c2=O)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1coc2ccccc2c1=O
Cc1c(C[NH2+][C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cnn1C CC(C)[*:1] Cc1c(cnn1C)C[NH2+][C@H]1C[C@@H](C)CC[C@H]1[*:1]
COc1ccc(C)cc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=[NH+]\c1cccc(C)c1 COc1ccc(C)cc1[*:1] Cc1cccc(c1)/[NH+]=c1\oc2c(C)ncc(CO)c2cc1C(=O)N[*:1]
CCCCn1c(S(=O)(=O)Cc2nncn2C)nc(C)c1C CCCC[*:1] Cc1nc(n(c1C)[*:1])S(=O)(=O)Cc1nncn1C
CCCCn1c(S(=O)(=O)Cc2nncn2C)nc(C)c1C Cn1cnnc1C[*:1] CCCCn1c(nc(C)c1C)S(=O)(=O)[*:1]
CCCCn1c(S(=O)(=O)Cc2nncn2C)nc(C)c1C Cn1cnnc1[*:1] CCCCn1c(nc(C)c1C)S(=O)(=O)C[*:1]
CCCCn1c(S(=O)(=O)Cc2nncn2C)nc(C)c1C CCC[*:1] Cc1nc(n(C[*:1])c1C)S(=O)(=O)Cc1nncn1C
N#Cc1ccc(Cn2c(N3CCC[C@H](O)C3)[nH+]c3ccccc32)cc1 N#Cc1ccc(cc1)[*:1] O[C@H]1CCCN(C1)c1[nH+]c2ccccc2n1C[*:1]
CC[NH2+][C@H](c1csc(C)c1)C1(N2CCOCC2)CCCC1 Cc1cc(cs1)[*:1] CC[NH2+][C@H](C1(CCCC1)N1CCOCC1)[*:1]
CC[NH2+][C@H](c1csc(C)c1)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] CC[NH2+][C@H](c1csc(C)c1)C1(CCCC1)[*:1]
CC(C)(CNC(=O)C=C1CCSCC1)CC1CCOCC1 C(=C1CCSCC1)[*:1] CC(C)(CNC(=O)[*:1])CC1CCOCC1
CC(C)(CNC(=O)C=C1CCSCC1)CC1CCOCC1 C1CC(CCO1)[*:1] CC(C)(CNC(=O)C=C1CCSCC1)C[*:1]
CC(C)(CNC(=O)C=C1CCSCC1)CC1CCOCC1 C1CC(CCO1)C[*:1] CC(C)(CNC(=O)C=C1CCSCC1)[*:1]
Cc1ccc([S@@](=O)CCC2OCCCO2)c(C)c1 C1COC(OC1)[*:1] Cc1ccc(c(C)c1)[S@@](=O)CC[*:1]
O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)-c1cnc2ccccc2n1)c1ccc(cc1)[*:1]
O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1cnc2ccccc2n1)[*:1]
Cc1noc(-c2ccc3nnc(CC(=O)Nc4cccc(F)c4)n3c2)n1 Fc1cccc(c1)[*:1] Cc1noc(n1)-c1ccc2nnc(CC(=O)N[*:1])n2c1
Cc1noc(-c2ccc3nnc(CC(=O)Nc4cccc(F)c4)n3c2)n1 Cc1noc(n1)[*:1] O=C(Cc1nnc2ccc(cn12)[*:1])Nc1cccc(F)c1
COC(=O)c1ccc(C[NH+](C)CC(=O)Nc2c(C)nn(C)c2C)cc1 Cc1nn(C)c(C)c1[*:1] COC(=O)c1ccc(cc1)C[NH+](C)CC(=O)N[*:1]
COC(=O)c1ccc(C[NH+](C)CC(=O)Nc2c(C)nn(C)c2C)cc1 COC(=O)[*:1] Cc1nn(C)c(C)c1NC(=O)C[NH+](C)Cc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)Nc2nccs2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)c1ccc(cc1[*:1])C(=O)Nc1nccs1
CC(C)(C)c1ccc(C(=O)Nc2nccs2)cc1[N+](=O)[O-] CC(C)(C)[*:1] O=C(Nc1nccs1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC(C)(C)c1ccc(C(=O)Nc2nccs2)cc1[N+](=O)[O-] c1csc(n1)[*:1] CC(C)(C)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
COC[C@@H](O)COc1ccc(C)nc1CO COC[C@@H](O)[*:1] Cc1ccc(OC[*:1])c(CO)n1
COC[C@@H](O)COc1ccc(C)nc1CO COC[*:1] Cc1ccc(OC[C@H](O)[*:1])c(CO)n1
CC1(C)CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC1(C)CCCN1S(=O)(=O)c1cc(Cl)ccc1[*:1]
NC(=O)c1ccc([C@H]2CCCN2C(=O)c2ccc(Cn3cnnn3)cc2)s1 c1nnnn1[*:1] NC(=O)c1ccc(s1)[C@H]1CCCN1C(=O)c1ccc(cc1)C[*:1]
NC(=O)c1ccc([C@H]2CCCN2C(=O)c2ccc(Cn3cnnn3)cc2)s1 c1nnnn1C[*:1] NC(=O)c1ccc(s1)[C@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
NC(=O)c1ccc([C@H]2CCCN2C(=O)c2ccc(Cn3cnnn3)cc2)s1 NC(=O)[*:1] O=C(c1ccc(cc1)Cn1cnnn1)N1CCC[C@@H]1c1ccc(s1)[*:1]
NC(=O)c1ccc([C@H]2CCCN2C(=O)c2ccc(Cn3cnnn3)cc2)s1 NC(=O)c1ccc(s1)[*:1] O=C(c1ccc(cc1)Cn1cnnn1)N1CCC[C@@H]1[*:1]
CCOc1cccc2sc(N3CCN(C(=O)Nc4ccc(C)cc4)CC3)nc12 Cc1ccc(cc1)[*:1] CCOc1cccc2sc(nc12)N1CCN(CC1)C(=O)N[*:1]
CCOc1cccc2sc(N3CCN(C(=O)Nc4ccc(C)cc4)CC3)nc12 CCO[*:1] Cc1ccc(cc1)NC(=O)N1CCN(CC1)c1nc2c(cccc2s1)[*:1]
Cc1cc2nn(CC(=O)Nc3nccs3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 c1csc(n1)[*:1] Cc1cc2nn(CC(=O)N[*:1])c(=O)n2c(n1)-c1ccc(cc1)C(F)(F)F
Cc1cc2nn(CC(=O)Nc3nccs3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 O=C(Nc1nccs1)[*:1] Cc1cc2nn(C[*:1])c(=O)n2c(n1)-c1ccc(cc1)C(F)(F)F
Cc1cc2nn(CC(=O)Nc3nccs3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 O=C(C[*:1])Nc1nccs1 Cc1cc2nn(c(=O)n2c(n1)-c1ccc(cc1)C(F)(F)F)[*:1]
Cc1cc2nn(CC(=O)Nc3nccs3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)c1ccc(cc1)[*:1] Cc1cc2nn(CC(=O)Nc3nccs3)c(=O)n2c(n1)[*:1]
Cc1cc2nn(CC(=O)Nc3nccs3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] Cc1cc2nn(CC(=O)Nc3nccs3)c(=O)n2c(n1)-c1ccc(cc1)[*:1]
Cc1sc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)nc1-c1ccc(OC(F)F)cc1 FC(F)[*:1] Cc1sc(nc1-c1ccc(cc1)O[*:1])NC(=O)C1CCN(CC1)C(=O)N1CCCC1
Cc1sc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)nc1-c1ccc(OC(F)F)cc1 FC(F)O[*:1] Cc1sc(nc1-c1ccc(cc1)[*:1])NC(=O)C1CCN(CC1)C(=O)N1CCCC1
Cc1sc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)nc1-c1ccc(OC(F)F)cc1 FC(F)Oc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)C1CCN(CC1)C(=O)N1CCCC1
CCc1cc(C#N)c(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)s1 C1CCC(C1)[*:1] CCc1cc(C#N)c(NC(=O)c2ccc(O[*:1])c(c2)OC)s1
CCc1cc(C#N)c(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)s1 C1CCC(C1)O[*:1] CCc1cc(C#N)c(NC(=O)c2ccc(c(c2)OC)[*:1])s1
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)CNC(=O)[*:1])C(N)=O
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(Br)s1 NC(=O)[*:1] C[C@@H]1CC[C@H](CN1C(=O)CNC(=O)c1ccc(Br)s1)[*:1]
O=C(c1ccccc1)c1ccc2nc(NCCCO)c3nncn3c2c1 O=C(c1ccccc1)[*:1] OCCCNc1nc2ccc(cc2n2cnnc12)[*:1]
O=C(c1ccccc1)c1ccc2nc(NCCCO)c3nncn3c2c1 OCCC[*:1] O=C(c1ccccc1)c1ccc2nc(N[*:1])c3nncn3c2c1
O=C(c1ccccc1)c1ccc2nc(NCCCO)c3nncn3c2c1 OCC[*:1] O=C(c1ccccc1)c1ccc2nc(NC[*:1])c3nncn3c2c1
O=C(c1ccccc1)c1ccc2nc(NCCCO)c3nncn3c2c1 c1ccc(cc1)[*:1] O=C(c1ccc2nc(NCCCO)c3nncn3c2c1)[*:1]
O=C(c1ccccc1)c1ccc2nc(NCCCO)c3nncn3c2c1 OCCCN[*:1] O=C(c1ccccc1)c1ccc2nc(c3nncn3c2c1)[*:1]
CC(=O)N1CC[NH+]([C@@H](C)[C@H](C)C(=O)NN)CC1 NNC(=O)[*:1] CC(=O)N1CC[NH+](CC1)[C@@H](C)[C@H](C)[*:1]
COc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)cc1O Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1O)C[NH2+]C1(CCCC1)[*:1]
CC(C)(C)NC(=O)[C@H]1C(=O)N[C@]2(C)C[C@H]1c1ccccc1O2 CC(C)(C)[*:1] C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)N2)C(=O)N[*:1]
CC(C)(C)NC(=O)[C@H]1C(=O)N[C@]2(C)C[C@H]1c1ccccc1O2 CC(C)(C)NC(=O)[*:1] C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)N2)[*:1]
Cc1ccncc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2C c1ccc(cc1)[*:1] Cc1ccncc1C(=O)N1CCC2(CC1)C[C@@H](C(=O)N2C)[*:1]
Cc1ccncc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2C Cc1ccncc1[*:1] CN1C(=O)[C@@H](CC12CCN(CC2)C(=O)[*:1])c1ccccc1
CSc1ccc(NC(=O)CN(CCc2ccccc2)C(C)=O)cc1 c1ccc(cc1)CC[*:1] CSc1ccc(cc1)NC(=O)CN(C(C)=O)[*:1]
CSc1ccc(NC(=O)CN(CCc2ccccc2)C(C)=O)cc1 c1ccc(cc1)C[*:1] CSc1ccc(cc1)NC(=O)CN(C[*:1])C(C)=O
CSc1ccc(NC(=O)CN(CCc2ccccc2)C(C)=O)cc1 CSc1ccc(cc1)[*:1] CC(=O)N(CCc1ccccc1)CC(=O)N[*:1]
CSc1ccc(NC(=O)CN(CCc2ccccc2)C(C)=O)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)NC(=O)CN(CC[*:1])C(C)=O
CC[C@@H](Nc1nc(Cl)ncc1F)c1cccs1 c1csc(c1)[*:1] CC[C@@H](Nc1nc(Cl)ncc1F)[*:1]
CCCNC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C)cc1Cl CCC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
CCCNC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C)cc1Cl CCCNC(=O)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1cc(NC(=O)CN2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)no1 NC(=O)[*:1] Cc1cc(no1)NC(=O)CN1c2ccccc2[C@H](C[C@@H]1C)[*:1]
Cc1cc(NC(=O)CN2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)no1 Cc1cc(no1)[*:1] C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1CC(=O)N[*:1]
CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H]2CCC(=O)N2)cc1 O=C1CC[C@@H](N1)[*:1] CC(C)c1ccc(cc1)[C@H]1CCCN1C(=O)[*:1]
CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H]2CCC(=O)N2)cc1 CC(C)[*:1] O=C1CC[C@@H](N1)C(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
O=C(COc1ccc(-n2cnnn2)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 c1nnnn1[*:1] O=C(COc1ccc(cc1)[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCC1
O=C(COc1ccc(-n2cnnn2)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(COc1ccc(cc1)-n1cnnn1)Nc1cccc(c1)[*:1]
Cc1ccc(C)c(/N=C/c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)/N=C/c1cccc(c1)[*:1]
CC(C)(C)c1nccc(Sc2nnc(-c3ccccc3Cl)o2)n1 Clc1ccccc1[*:1] CC(C)(C)c1nccc(n1)Sc1nnc(o1)[*:1]
CC(C)(C)c1nccc(Sc2nnc(-c3ccccc3Cl)o2)n1 CC(C)(C)[*:1] Clc1ccccc1-c1nnc(o1)Sc1ccnc(n1)[*:1]
CCOc1ccc2c(c1)CN(C(=O)Nc1nc(-c3cccnc3)cs1)CC2 CCO[*:1] O=C(Nc1nc(cs1)-c1cccnc1)N1CCc2ccc(cc2C1)[*:1]
CCOc1ccc2c(c1)CN(C(=O)Nc1nc(-c3cccnc3)cs1)CC2 c1cncc(c1)[*:1] CCOc1ccc2CCN(Cc2c1)C(=O)Nc1nc(cs1)[*:1]
O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 Fc1ccc(cc1)[*:1] O=S(=O)(Cc1csc(n1)[*:1])c1nc2ccccc2[nH]1
CCc1nc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cs1 Fc1ccc(cc1)C[*:1] CCc1nc(cs1)-c1ccc(cc1)C(=O)N[*:1]
CCc1nc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cs1 Fc1ccc(cc1)[*:1] CCc1nc(cs1)-c1ccc(cc1)C(=O)NC[*:1]
CCc1nc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cs1 CCc1nc(cs1)[*:1] O=C(NCc1ccc(F)cc1)c1ccc(cc1)[*:1]
COc1ccc(-c2nc3sc(CCNC(=O)C(=O)Nc4cc(Cl)ccc4C)c(C)n3n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1sc2nc(nn2c1C)[*:1]
COc1ccc(-c2nc3sc(CCNC(=O)C(=O)Nc4cc(Cl)ccc4C)c(C)n3n2)cc1 Cc1ccc(Cl)cc1[*:1] COc1ccc(cc1)-c1nc2sc(CCNC(=O)C(=O)N[*:1])c(C)n2n1
COc1cc2c(cc1NC(=O)COc1ncnc3ccccc13)oc1ccccc12 c1ccc2c(ncnc2c1)[*:1] COc1cc2c(cc1NC(=O)CO[*:1])oc1ccccc12
O[C@@H](/C=C/c1cccs1)C(F)(F)F FC(F)(F)[*:1] O[C@@H](/C=C/c1cccs1)[*:1]
CC(=O)c1ccc(NCC(=O)N2c3ccccc3C[C@@H]2C)cc1 CC(=O)[*:1] C[C@H]1Cc2ccccc2N1C(=O)CNc1ccc(cc1)[*:1]
CCC[C@@H]1C(=O)NC(=O)C[C@@]1(C)Cc1ccccc1OC CCC[*:1] COc1ccccc1C[C@]1(C)CC(=O)NC(=O)[C@H]1[*:1]
O=C1CCCN1Cc1ccccc1CNS(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] O=C1CCCN1Cc1ccccc1CNS(=O)(=O)C[*:1]
O=C1CCCN1Cc1ccccc1CNS(=O)(=O)Cc1ccccc1 O=C1CCCN1C[*:1] O=S(=O)(Cc1ccccc1)NCc1ccccc1[*:1]
O=C1CCCN1Cc1ccccc1CNS(=O)(=O)Cc1ccccc1 O=C1CCCN1[*:1] O=S(=O)(Cc1ccccc1)NCc1ccccc1C[*:1]
O=C1CCCN1Cc1ccccc1CNS(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1CCCN1Cc1ccccc1CNS(=O)(=O)[*:1]
CO[C@@H]1CCCC[C@H]1OC(=O)c1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CO[C@@H]1CCCC[C@H]1OC(=O)c1ncn(n1)[*:1]
C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)C[C@@H](C)O1 c1csc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
C[C@H]1c2ccc(F)cc2CCN1C(=O)CSc1nnnn1C Cn1nnnc1S[*:1] C[C@H]1c2ccc(F)cc2CCN1C(=O)C[*:1]
C[C@H]1c2ccc(F)cc2CCN1C(=O)CSc1nnnn1C Cn1nnnc1[*:1] C[C@H]1c2ccc(F)cc2CCN1C(=O)CS[*:1]
CCN[C@]1(C#N)CC[C@H](Sc2nnnn2C2CC2)C1 CCN[*:1] N#C[C@@]1(CC[C@@H](C1)Sc1nnnn1C1CC1)[*:1]
CCN[C@]1(C#N)CC[C@H](Sc2nnnn2C2CC2)C1 C1CC1[*:1] CCN[C@]1(C#N)CC[C@@H](C1)Sc1nnnn1[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)cc1 CN(c1ccccc1)S(=O)(=O)[*:1] C[NH+]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)[*:1])c2C(N)=O
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)cc1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2C[NH+](C)CCc2c1C(N)=O)[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)cc1 NC(=O)[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2C[NH+](C)CCc2c1[*:1]
CC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(C2CCCCC2)C1 Clc1cccc(c1)[*:1] CC1C[C@](O)(C2CCCCC2)N(N=1)C(=O)[*:1]
CC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(C2CCCCC2)C1 C1CCC(CC1)[*:1] CC1C[C@](O)(N(N=1)C(=O)c1cccc(Cl)c1)[*:1]
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 O=C([O-])[*:1] COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C(C)C)[*:1]
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)[*:1])C(=O)[O-]
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C(=O)[O-])[*:1]
O=C([O-])C1(C[C@@H]2COc3ccccc32)CC[NH2+]CC1 O=C([O-])[*:1] c1ccc2c(c1)OC[C@H]2CC1(CC[NH2+]CC1)[*:1]
O=C(NCCN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1)c1ccsc1 c1csc(c1)[*:1] O=C(NCCN1CCN(CC1)C(=O)C1(CCCC1)[*:1])c1ccsc1
O=C(NCCN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1)c1ccsc1 O=C(N[*:1])c1ccsc1 O=C(N1CCN(CC1)CC[*:1])C1(CCCC1)c1cccs1
O=C(NCCN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1)c1ccsc1 c1cc(cs1)[*:1] O=C(N1CCN(CCNC(=O)[*:1])CC1)C1(CCCC1)c1cccs1
O=C(NCCN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1)c1ccsc1 O=C(NC[*:1])c1ccsc1 O=C(N1CCN(CC1)C[*:1])C1(CCCC1)c1cccs1
COC(=O)[C@H]1CN(Cc2cc(Br)cs2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(Cc2cc(Br)cs2)C[C@@H]1[*:1]
Cc1cccc([C@@H](C(=O)N(C)CC2(CO)CCC2)N(C)C)c1 OCC1(CCC1)[*:1] Cc1cccc(c1)[C@@H](C(=O)N(C)C[*:1])N(C)C
Cc1cccc([C@@H](C(=O)N(C)CC2(CO)CCC2)N(C)C)c1 OCC1(CCC1)C[*:1] Cc1cccc(c1)[C@@H](C(=O)N(C)[*:1])N(C)C
Cc1cccc([C@@H](C(=O)N(C)CC2(CO)CCC2)N(C)C)c1 CN(C)[*:1] Cc1cccc(c1)[C@@H](C(=O)N(C)CC1(CO)CCC1)[*:1]
Cc1cccc([C@@H](C(=O)N(C)CC2(CO)CCC2)N(C)C)c1 Cc1cccc(c1)[*:1] CN(CC1(CO)CCC1)C(=O)[C@@H](N(C)C)[*:1]
O=C(/C=C/c1cccc2cccnc12)OCCNc1ncccn1 c1cnc(nc1)N[*:1] O=C(/C=C/c1cccc2cccnc12)OCC[*:1]
O=C(/C=C/c1cccc2cccnc12)OCCNc1ncccn1 c1cnc(nc1)NC[*:1] O=C(/C=C/c1cccc2cccnc12)OC[*:1]
O=C(/C=C/c1cccc2cccnc12)OCCNc1ncccn1 c1cnc(nc1)[*:1] O=C(/C=C/c1cccc2cccnc12)OCCN[*:1]
Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4scnc4C)C3)n2)c1 Cc1cccc(c1)[*:1] Cc1ncsc1C(=O)N1CCC[C@@H](C1)c1cccc(n1)[*:1]
Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4scnc4C)C3)n2)c1 Cc1ncsc1[*:1] Cc1cccc(c1)-c1cccc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C([O-])[C@@H]1CCCC[C@@H]1c1nc(C2CCCCC2)no1 O=C([O-])[*:1] C1CCC(CC1)c1noc(n1)[C@H]1CCCC[C@H]1[*:1]
O=C([O-])[C@@H]1CCCC[C@@H]1c1nc(C2CCCCC2)no1 C1CCC(CC1)[*:1] O=C([O-])[C@@H]1CCCC[C@@H]1c1nc(no1)[*:1]
CC(C)(CNC(=O)CCn1nnc2ccccc2c1=O)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)CCn1nnc2ccccc2c1=O)[*:1]
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(s1)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)/C=C/c2cccs2)C3)cc1C Cc1ccc(cc1C)[*:1] O=C(/C=C/c1cccs1)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)/C=C/c2cccs2)C3)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)-n1nc2CN(Cc2c1-n1cccc1)C(=O)C=C[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)/C=C/c2cccs2)C3)cc1C c1ccn(c1)[*:1] Cc1ccc(cc1C)-n1nc2CN(Cc2c1[*:1])C(=O)/C=C/c1cccs1
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)/C=C/c2cccs2)C3)cc1C C(=C[*:1])c1cccs1 Cc1ccc(cc1C)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
C#CCNCC(=O)N[C@H](C)Cc1ccccc1Cl C#CCN[*:1] C[C@H](Cc1ccccc1Cl)NC(=O)C[*:1]
C#CCNCC(=O)N[C@H](C)Cc1ccccc1Cl C#CC[*:1] C[C@H](Cc1ccccc1Cl)NC(=O)CN[*:1]
C#CCNCC(=O)N[C@H](C)Cc1ccccc1Cl C#CCNC[*:1] C[C@H](Cc1ccccc1Cl)NC(=O)[*:1]
COc1ccc([C@H](C)CC(=O)NC[C@](C)(O)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H](CC(=O)NC[C@](C)(O)c1ccc(F)cc1)[*:1]
COc1ccc([C@H](C)CC(=O)NC[C@](C)(O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](C)CC(=O)NC[C@](C)(O)[*:1]
CCOC[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)C1 CCOC[*:1] O=C(NCCC(=O)N1CCC[C@H](C1)[*:1])c1ccc(F)cc1Cl
CCOC[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)C1 Fc1ccc(c(Cl)c1)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)CCNC(=O)[*:1]
CCOC[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)C1 CCO[*:1] O=C(NCCC(=O)N1CCC[C@H](C1)C[*:1])c1ccc(F)cc1Cl
CC(C)Oc1ccccc1C(=O)NCc1nncn1-c1ccccc1 CC(C)[*:1] O=C(NCc1nncn1-c1ccccc1)c1ccccc1O[*:1]
CC(C)Oc1ccccc1C(=O)NCc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)Oc1ccccc1C(=O)NCc1nncn1[*:1]
CC(C)Oc1ccccc1C(=O)NCc1nncn1-c1ccccc1 CC(C)O[*:1] O=C(NCc1nncn1-c1ccccc1)c1ccccc1[*:1]
C[C@H](CC(N)=O)[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 NC(=O)C[*:1] C[C@H]([NH2+]Cc1ccnc(c1)O[C@@H]1CCOC1)[*:1]
C[C@H](CC(N)=O)[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 C1C[C@H](CO1)O[*:1] C[C@H](CC(N)=O)[NH2+]Cc1ccnc(c1)[*:1]
C[C@H](CC(N)=O)[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] C[C@H](CC(N)=O)[NH2+]Cc1ccnc(c1)O[*:1]
C[C@H](CC(N)=O)[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 NC(=O)[*:1] C[C@H](C[*:1])[NH2+]Cc1ccnc(c1)O[C@@H]1CCOC1
O=S(=O)(Cc1cccc(F)c1)NCC[C@@H](O)c1cccc2ccccc12 Fc1cccc(c1)[*:1] O=S(=O)(C[*:1])NCC[C@@H](O)c1cccc2ccccc12
O=S(=O)(Cc1cccc(F)c1)NCC[C@@H](O)c1cccc2ccccc12 Fc1cccc(c1)C[*:1] O=S(=O)(NCC[C@@H](O)c1cccc2ccccc12)[*:1]
Cc1sc(NC(=O)CN[C@H](C)c2ccc(Cl)cc2)c(C#N)c1C Clc1ccc(cc1)[*:1] Cc1sc(NC(=O)CN[C@H](C)[*:1])c(C#N)c1C
CCCc1noc(CSCc2ccc(F)cc2)n1 CCC[*:1] Fc1ccc(cc1)CSCc1nc(no1)[*:1]
O=C(CSc1nnc2n1CCCCC2)NCc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(CSc1nnc2CCCCCn21)NCc1cccc(c1)[*:1]
O=C(CSc1nnc2n1CCCCC2)NCc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(CSc1nnc2CCCCCn21)NCc1cccc(c1)C(=O)N[*:1]
CCc1ccc2nc(N3CC[NH+](CCNC(=O)c4ccc(OC)cc4)CC3)sc2c1 COc1ccc(cc1)[*:1] CCc1ccc2nc(sc2c1)N1CC[NH+](CCNC(=O)[*:1])CC1
O[C@@H]1CCCN(c2[nH+]cccc2C[NH2+]Cc2c(F)ccc(F)c2F)C1 O[C@@H]1CCCN(C1)[*:1] Fc1ccc(F)c(C[NH2+]Cc2ccc[nH+]c2[*:1])c1F
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 Clc1ccc(cc1Cl)[*:1] O=C(c1ccc(c(O)c1)[N+](=O)[O-])N1CCO[C@H](C1)[*:1]
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 O=[N+]([O-])[*:1] O=C(c1ccc(c(O)c1)[*:1])N1CCO[C@@H](C1)c1ccc(Cl)c(Cl)c1
Cc1nc([C@@](C)([NH3+])C2(C)CC2)no1 CC1(CC1)[*:1] Cc1nc(no1)[C@@](C)([NH3+])[*:1]
CC(C)[S@](=O)Cc1nc2cc(N)ccc2o1 CC(C)[*:1] Nc1ccc2oc(C[S@@](=O)[*:1])nc2c1
COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1OC CN(C)S(=O)(=O)[*:1] COc1ccc(cc1OC)NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1OC COc1ccc(cc1OC)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
O=C(Cc1cccc(Cl)c1)Nc1cccc(-c2nc[nH]n2)c1 Clc1cccc(c1)[*:1] O=C(C[*:1])Nc1cccc(c1)-c1nc[nH]n1
O=C(Cc1cccc(Cl)c1)Nc1cccc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] O=C(Cc1cccc(Cl)c1)Nc1cccc(c1)[*:1]
Cc1ccc([C@@H](NC(=O)Cn2nnc(-c3cccs3)n2)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1nnc(n1)-c1cccs1)N[C@@H](C1CC1)[*:1]
Cc1ccc([C@@H](NC(=O)Cn2nnc(-c3cccs3)n2)C2CC2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)Cn1nnc(n1)[*:1])C1CC1
Cc1ccc([C@@H](NC(=O)Cn2nnc(-c3cccs3)n2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](NC(=O)Cn1nnc(n1)-c1cccs1)[*:1]
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cc[nH+]c(N(C)C)c1 Fc1ccc(cc1F)[*:1] C[C@H](N(C)C(=O)NCc1cc[nH+]c(c1)N(C)C)[*:1]
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cc[nH+]c(N(C)C)c1 CN(C)[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cc[nH+]c(c1)[*:1]
Cc1ccsc1C(=O)OCc1c(Cl)cccc1Cl Cc1ccsc1[*:1] O=C(OCc1c(Cl)cccc1Cl)[*:1]
C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)c1cccc(Cl)c1 C1CCC(C1)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)c1cccc(Cl)c1
COc1ccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)[*:1]
C[C@@H](O)CCc1nc2c(N)cccc2o1 C[C@@H](O)C[*:1] Nc1cccc2oc(C[*:1])nc12
C[C@@H](O)CCc1nc2c(N)cccc2o1 C[C@@H](O)[*:1] Nc1cccc2oc(CC[*:1])nc12
C[C@@H](O)CCc1nc2c(N)cccc2o1 C[C@@H](O)CC[*:1] Nc1cccc2oc(nc12)[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccc(OC)cc1)n2C CCOC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)/N=c1\sc2cc(ccc2n1C)[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccc(OC)cc1)n2C COc1ccc(cc1)[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N\S(=O)(=O)[*:1])n2C
CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3cccc(Cl)c3)nnc12 Clc1cccc(c1)[*:1] CC1(C)[C@H]2CC[C@]1(C)c1nc(nnc12)SCC(=O)N[*:1]
Cc1cc(C)c(-c2[nH+]ccn2CCn2cccn2)c(-n2cccn2)c1 c1cnn(c1)[*:1] Cc1cc(C)c(c(c1)[*:1])-c1[nH+]ccn1CCn1cccn1
Cc1cc(C)c(-c2[nH+]ccn2CCn2cccn2)c(-n2cccn2)c1 c1cnn(c1)C[*:1] Cc1cc(C)c(c(c1)-n1cccn1)-c1[nH+]ccn1C[*:1]
Cc1cc(C)c(-c2[nH+]ccn2CCn2cccn2)c(-n2cccn2)c1 c1cnn(c1)[*:1] Cc1cc(C)c(c(c1)-n1cccn1)-c1[nH+]ccn1CC[*:1]
Cc1cc(C)c(-c2[nH+]ccn2CCn2cccn2)c(-n2cccn2)c1 c1cnn(c1)CC[*:1] Cc1cc(C)c(c(c1)-n1cccn1)-c1[nH+]ccn1[*:1]
O=C(NCc1ccc2c(c1)OCCCO2)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] O=C(NCc1ccc2OCCCOc2c1)N1CCN(CC1)[*:1]
O=C(NCc1ccc2c(c1)OCCCO2)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(NCc1ccc2OCCCOc2c1)N1CCN(CC1)C[*:1]
COc1ccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)CN(C(=O)Cc3ccccc3)C2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)[C@H]2C[C@@H](CN(C2)C(=O)Cc2ccccc2)[*:1])c(c1)OC
COc1ccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)CN(C(=O)Cc3ccccc3)C2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(N[*:1])[C@H]1C[C@H](CN(C1)C(=O)Cc1ccccc1)c1ccccc1
COc1ccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)CN(C(=O)Cc3ccccc3)C2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)[C@H]2C[C@H](CN(C2)C(=O)C[*:1])c2ccccc2)c(c1)OC
COc1ccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)CN(C(=O)Cc3ccccc3)C2)c(OC)c1 c1ccc(cc1)C[*:1] COc1ccc(NC(=O)[C@H]2C[C@H](CN(C2)C(=O)[*:1])c2ccccc2)c(c1)OC
CC[C@H](C(=O)NCCc1csc(-n2cccn2)n1)c1ccccc1 c1cnn(c1)[*:1] CC[C@H](C(=O)NCCc1csc(n1)[*:1])c1ccccc1
CC[C@H](C(=O)NCCc1csc(-n2cccn2)n1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)NCCc1csc(n1)-n1cccn1)[*:1]
CC(C)[C@H]1C[C@](CO)(Nc2ccc(Cl)c(Br)c2)CCO1 CC(C)[*:1] OC[C@]1(CCO[C@H](C1)[*:1])Nc1ccc(Cl)c(Br)c1
COc1c(Br)cc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)c1ccccc1 c1ccc(cc1)[*:1] COc1c(Br)cc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccccc2F)NC(=O)N1 Fc1ccccc1[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccc(C)cc1)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccccc2F)NC(=O)N1 Cc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1ccccc1F
C#CCOc1c(Br)cc(/C=C(/C#N)[C@@H]2[NH+]=c3ccc(OC)cc3=[NH+]2)cc1OC C#CC[*:1] COc1ccc2=[NH+][C@H]([NH+]=c2c1)/C(C#N)=C\c1cc(Br)c(O[*:1])c(c1)OC
C#CCOc1c(Br)cc(/C=C(/C#N)[C@@H]2[NH+]=c3ccc(OC)cc3=[NH+]2)cc1OC C#CCO[*:1] COc1ccc2=[NH+][C@H]([NH+]=c2c1)/C(C#N)=C\c1cc(Br)c(c(c1)OC)[*:1]
Cc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccc(F)cc45)ccc32)c1-c1ccc(F)cc1 Fc1ccc2[nH]cc(c2c1)[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)CC[*:1])c1-c1ccc(F)cc1
Cc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccc(F)cc45)ccc32)c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)CCc2c[nH]c3ccc(F)cc23)c1[*:1]
Cc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccc(F)cc45)ccc32)c1-c1ccc(F)cc1 Fc1ccc2[nH]cc(C[*:1])c2c1 Cc1nn2c(nnc3c(=O)n(ccc32)C[*:1])c1-c1ccc(F)cc1
COc1cc(OC)cc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 CC(=O)[*:1] COc1cc(cc(c1)[C@H]1[C@H](N2c3ccccc3C=C[C@@H]2C1(C#N)C#N)[*:1])OC
COc1cc(OC)cc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 COc1cc(cc(c1)[*:1])OC CC(=O)[C@H]1[C@@H](C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12)[*:1]
Cc1nc(C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)no1 N#CC[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)Nc1ccccc1S[C@@H](C)[*:1]
Cc1nc(C2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)no1 Cc1nc(no1)[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(CC1)[*:1]
COC[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc(F)c(F)c1 Brc1cc(cs1)[*:1] COC[C@@H]([NH2+]C[*:1])c1ccc(F)c(F)c1
COC[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc(F)c(F)c1 COC[*:1] Fc1ccc(cc1F)[C@H]([NH2+]Cc1csc(Br)c1)[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)c2cccnc2C)cc1 Cc1ncccc1[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)NC(=O)[*:1]
CCC[NH2+][C@@H](c1cscc1Br)[C@@](C)(CC)N1CCOCC1 CCC[*:1] CC[C@](C)([C@@H]([NH2+][*:1])c1cscc1Br)N1CCOCC1
CCC[NH2+][C@@H](c1cscc1Br)[C@@](C)(CC)N1CCOCC1 Brc1cscc1[*:1] CCC[NH2+][C@@H]([C@@](C)(CC)N1CCOCC1)[*:1]
CCC[NH2+][C@@H](c1cscc1Br)[C@@](C)(CC)N1CCOCC1 C1CN(CCO1)[*:1] CCC[NH2+][C@@H](c1cscc1Br)[C@@](C)(CC)[*:1]
CC1CCC(N(C)C(=O)c2cc(N3CCCC3=O)ccc2Cl)CC1 CC1CCC(CC1)[*:1] CN(C(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
CC1CCC(N(C)C(=O)c2cc(N3CCCC3=O)ccc2Cl)CC1 O=C1CCCN1[*:1] CC1CCC(CC1)N(C)C(=O)c1cc(ccc1Cl)[*:1]
CS[C@H]1CC[C@H](NC(=O)c2cc(S(C)(=O)=O)ccc2C)C1 CS(=O)(=O)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)c1cc(ccc1C)[*:1]
COc1ccc([C@H](CNC(=O)NCc2cccnc2)[NH+]2CCCCC2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)NC[*:1])[NH+]1CCCCC1
COc1ccc([C@H](CNC(=O)NCc2cccnc2)[NH+]2CCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1cccnc1)NC[C@H]([NH+]1CCCCC1)[*:1]
COc1ccc([C@H](CNC(=O)NCc2cccnc2)[NH+]2CCCCC2)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)[C@H](CNC(=O)N[*:1])[NH+]1CCCCC1
CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCO1 CCC[*:1] CN1CCO[C@H](CNC(=O)[C@@H]([NH3+])C[*:1])C1
CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCO1 CCCC[*:1] CN1CCO[C@H](CNC(=O)[C@@H]([NH3+])[*:1])C1
Cc1cc(C(=O)Nc2ccc(NC(=O)[C@H](C)Cn3cccn3)cc2)co1 Cc1cc(co1)[*:1] C[C@H](Cn1cccn1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1cc(C(=O)Nc2ccc(NC(=O)[C@H](C)Cn3cccn3)cc2)co1 c1cnn(c1)[*:1] Cc1cc(co1)C(=O)Nc1ccc(cc1)NC(=O)[C@H](C)C[*:1]
Cc1cc(C(=O)Nc2ccc(NC(=O)[C@H](C)Cn3cccn3)cc2)co1 c1cnn(c1)C[*:1] Cc1cc(co1)C(=O)Nc1ccc(cc1)NC(=O)[C@H](C)[*:1]
CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]Cc3ccc[nH]c3=O)C2=O)cc1 CC(C)[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]Cc1ccc[nH]c1=O)Cc1ccc(cc1)[*:1]
CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]Cc3ccc[nH]c3=O)C2=O)cc1 O=c1[nH]cccc1[*:1] CC(C)c1ccc(cc1)CN1CCC[C@@](O)(C[NH2+]C[*:1])C1=O
CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]Cc3ccc[nH]c3=O)C2=O)cc1 CC(C)c1ccc(cc1)[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]Cc1ccc[nH]c1=O)C[*:1]
COc1ccc(C(=O)N2CC[NH+](Cc3nc(CC4CC4)no3)CC2)cc1 C1CC1C[*:1] COc1ccc(cc1)C(=O)N1CC[NH+](CC1)Cc1nc(no1)[*:1]
COc1ccc(C(=O)N2CC[NH+](Cc3nc(CC4CC4)no3)CC2)cc1 C1CC1[*:1] COc1ccc(cc1)C(=O)N1CC[NH+](CC1)Cc1nc(C[*:1])no1
COc1ccc(C(=O)N2CC[NH+](Cc3nc(CC4CC4)no3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(N1CC[NH+](CC1)Cc1nc(CC2CC2)no1)[*:1]
O=C(C[C@H](O)c1ccccc1)N[C@H]1[C@@H]2CCc3ccccc3[C@H]12 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N[C@H]1[C@@H]2CCc3ccccc3[C@H]12
Cc1ncc([C@@H](C)N[C@H]2CCN(C(=O)C3CCCCC3)C2)s1 Cc1ncc(s1)[*:1] C[C@@H](N[C@H]1CCN(C1)C(=O)C1CCCCC1)[*:1]
Cc1ncc([C@@H](C)N[C@H]2CCN(C(=O)C3CCCCC3)C2)s1 C1CCC(CC1)[*:1] Cc1ncc(s1)[C@@H](C)N[C@H]1CCN(C1)C(=O)[*:1]
COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cnc(C)s1 Cc1ncc(s1)[*:1] COc1cc(OC)c(cc1C[NH2+][C@H](C)[*:1])OC
COc1ccc(CN(C)C(=O)Cc2ccccc2C)cc1F Cc1ccccc1[*:1] COc1ccc(cc1F)CN(C)C(=O)C[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)Nc2ccn(Cc3ccccc3)n2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Nc1ccn(C[*:1])n1
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)Nc2ccn(Cc3ccccc3)n2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Nc1ccn(n1)[*:1]
COc1ccc(C(C)(C)C)cc1[C@@H](C)O C[C@@H](O)[*:1] COc1ccc(cc1[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1[C@@H](C)O CC(C)(C)[*:1] COc1ccc(cc1[C@@H](C)O)[*:1]
NC(=O)N1CCC([NH+](CCCO)C(c2ccccc2)c2ccccc2)CC1 OCC[*:1] NC(=O)N1CCC(CC1)[NH+](C[*:1])C(c1ccccc1)c1ccccc1
NC(=O)N1CCC([NH+](CCCO)C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)N1CCC(CC1)[NH+](CCCO)C(c1ccccc1)[*:1]
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O c1ccc2cc(ccc2c1)[*:1] C[C@]1(NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O)[*:1]
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O c1ccc(cc1)CC[*:1] C[C@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1ccc2ccccc2c1
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O c1ccc(cc1)CCC[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2ccccc2c1
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)NCCC[*:1])C1=O)c1ccc2ccccc2c1
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O c1ccc(cc1)C[*:1] C[C@]1(NC(=O)N(CC(=O)NCC[*:1])C1=O)c1ccc2ccccc2c1
C[NH+](C)CCOc1ccccc1C(=O)[O-] O=C([O-])[*:1] C[NH+](C)CCOc1ccccc1[*:1]
CC[NH+]1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)CC1 c1ccc(cc1)OC[*:1] CC[NH+]1CCN(CC1)C(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
CC[NH+]1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)CC1 c1ccc(cc1)O[*:1] CC[NH+]1CCN(CC1)C(=O)c1oc2CCC/C(=N\NC(=O)C[*:1])c2c1C
CC[NH+]1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)C(=O)c1oc2CCC/C(=N\NC(=O)CO[*:1])c2c1C
C=CC[S@](=O)C/C=C\[S@](=O)CC CC[S@@](=O)[*:1] C=CC[S@](=O)CC=C[*:1]
C=CC[S@](=O)C/C=C\[S@](=O)CC C=CC[*:1] CC[S@@](=O)/C=C\C[S@@](=O)[*:1]
Cc1sc2nc(-c3ccco3)[nH]c(=O)c2c1C c1coc(c1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[*:1]
C[C@H](C[NH3+])S[C@H](C)c1ccc(C(=O)[O-])o1 O=C([O-])[*:1] C[C@H](C[NH3+])S[C@H](C)c1ccc(o1)[*:1]
Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccccc3)cc2c1 c1ccc(cc1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(Cc1ccccc1)C(=O)[*:1]
Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccccc3)cc2c1 c1ccc(cc1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C[*:1])C(=O)c1ccccc1
Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccccc3)cc2c1 c1ccc(cc1)C[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)c1ccccc1)[*:1]
CCOC(=O)[C@@H]1CCCN(Cc2nn3c(=O)cc(C)nc3s2)C1 CCOC(=O)[*:1] Cc1cc(=O)n2nc(CN3CCC[C@H](C3)[*:1])sc2n1
Cc1ccc(S(=O)(=O)N2CCOc3ccc(COCc4ccc(F)cc4)cc3C2)cc1F Cc1ccc(cc1F)[*:1] O=S(=O)(N1CCOc2ccc(cc2C1)COCc1ccc(F)cc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCOc3ccc(COCc4ccc(F)cc4)cc3C2)cc1F Fc1ccc(cc1)[*:1] Cc1ccc(cc1F)S(=O)(=O)N1CCOc2ccc(cc2C1)COC[*:1]
Cc1ccc(S(=O)(=O)N2CCOc3ccc(COCc4ccc(F)cc4)cc3C2)cc1F Fc1ccc(cc1)C[*:1] Cc1ccc(cc1F)S(=O)(=O)N1CCOc2ccc(cc2C1)CO[*:1]
Cc1ccc(S(=O)(=O)N2CCOc3ccc(COCc4ccc(F)cc4)cc3C2)cc1F Fc1ccc(cc1)CO[*:1] Cc1ccc(cc1F)S(=O)(=O)N1CCOc2ccc(cc2C1)C[*:1]
Cc1ccc(S(=O)(=O)N2CCOc3ccc(COCc4ccc(F)cc4)cc3C2)cc1F Fc1ccc(cc1)COC[*:1] Cc1ccc(cc1F)S(=O)(=O)N1CCOc2ccc(cc2C1)[*:1]
Cc1ccc(C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)cc1C Cc1ccc(cc1C)[*:1] Cc1occc1C(=O)Nc1ccc(cc1)C(=O)[*:1]
Cc1ccc(C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)cc1C Cc1occc1[*:1] Cc1ccc(cc1C)C(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccsc1[C@H](O)CNC(=O)c1cccc(Br)c1 Cc1ccsc1[*:1] O=C(NC[C@@H](O)[*:1])c1cccc(Br)c1
Cc1cccc(CN(Cc2cccc(C)[nH+]2)Cc2ccc(C)o2)n1 Cc1cccc(C[*:1])n1 Cc1cccc(CN(Cc2ccc(C)o2)[*:1])[nH+]1
Cc1cccc(CN(Cc2cccc(C)[nH+]2)Cc2ccc(C)o2)n1 Cc1ccc(C[*:1])o1 Cc1cccc(CN(Cc2cccc(C)[nH+]2)[*:1])n1
Cc1cccc(CN(Cc2cccc(C)[nH+]2)Cc2ccc(C)o2)n1 Cc1ccc(o1)[*:1] Cc1cccc(CN(Cc2cccc(C)[nH+]2)C[*:1])n1
Cc1cccc(CN(Cc2cccc(C)[nH+]2)Cc2ccc(C)o2)n1 Cc1cccc(n1)[*:1] Cc1cccc(CN(Cc2ccc(C)o2)C[*:1])[nH+]1
Cc1nccn1-c1cncc(NC[C@]2(C)CCCC[C@H]2O)n1 Cc1nccn1[*:1] C[C@]1(CCCC[C@H]1O)CNc1cncc(n1)[*:1]
CN1C(=O)[C@@H]2N=C(c3ccc(Br)cc3)C(O)=C2N(C)C1=O Brc1ccc(cc1)[*:1] CN1C(=O)[C@@H]2N=C(C(O)=C2N(C)C1=O)[*:1]
CC(=O)Nc1ccccc1C[NH2+][C@@H](CO)C(C)C CC(=O)N[*:1] CC(C)[C@H](CO)[NH2+]Cc1ccccc1[*:1]
CC(=O)Nc1ccccc1C[NH2+][C@@H](CO)C(C)C CC(C)[*:1] CC(=O)Nc1ccccc1C[NH2+][C@@H](CO)[*:1]
Cc1cccc(CCCOC(=O)c2ccc3c(c2)OCO3)n1 Cc1cccc(n1)[*:1] O=C(OCCC[*:1])c1ccc2OCOc2c1
N#Cc1ccc(OCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)OCC(=O)N1c2ccccc2OC[C@@H]1[*:1]
N#Cc1ccc(OCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)cc1 N#Cc1ccc(cc1)O[*:1] O=C(C[*:1])N1c2ccccc2OC[C@H]1c1ccccc1
N#Cc1ccc(OCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CO[*:1])N1c2ccccc2OC[C@H]1c1ccccc1
CCNc1nc(C)c(C(=O)N2CC[NH2+][C@H](C(=O)[O-])C2)s1 O=C([O-])[*:1] CCNc1nc(C)c(s1)C(=O)N1CC[NH2+][C@H](C1)[*:1]
CCNc1nc(C)c(C(=O)N2CC[NH2+][C@H](C(=O)[O-])C2)s1 CCN[*:1] Cc1nc(sc1C(=O)N1CC[NH2+][C@@H](C1)C(=O)[O-])[*:1]
O=C(COc1ccc(F)cc1Br)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 Fc1ccc(c(Br)c1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccc(cn1)C(F)(F)F
O=C(COc1ccc(F)cc1Br)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 Fc1ccc(O[*:1])c(Br)c1 O=C(C[*:1])N1CCN(CC1)c1ccc(cn1)C(F)(F)F
O=C(COc1ccc(F)cc1Br)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C(COc1ccc(F)cc1Br)N1CCN(CC1)c1ccc(cn1)[*:1]
COCCCC(=O)Nc1nc2ccc(C(=O)[O-])cc2s1 COCCC[*:1] O=C([O-])c1ccc2nc(NC(=O)[*:1])sc2c1
COCCCC(=O)Nc1nc2ccc(C(=O)[O-])cc2s1 COC[*:1] O=C(CC[*:1])Nc1nc2ccc(cc2s1)C(=O)[O-]
COCCCC(=O)Nc1nc2ccc(C(=O)[O-])cc2s1 COCC[*:1] O=C(C[*:1])Nc1nc2ccc(cc2s1)C(=O)[O-]
COCCCC(=O)Nc1nc2ccc(C(=O)[O-])cc2s1 O=C([O-])[*:1] COCCCC(=O)Nc1nc2ccc(cc2s1)[*:1]
Cc1nc2cc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)ccc2n1-c1ccccc1 O=S(=O)(N[*:1])c1cccs1 Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)N1CCC(CC1)[*:1]
Cc1nc2cc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)ccc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2cc(ccc2n1[*:1])C(=O)N1CCC(CC1)NS(=O)(=O)c1cccs1
Cc1nc2cc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)ccc2n1-c1ccccc1 c1csc(c1)[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
COc1cccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)c1OC O=C1CCCN1[*:1] COc1cccc(/C=C/C(=O)c2ccc(cc2)[*:1])c1OC
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C O=c1[nH]c2ccc(cc2[nH]1)[*:1] Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)[*:1])c1C
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C Cc1cccc(c1C)[*:1] O=C(CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N[*:1]
Cc1nn(C)c2c1nc([C@@H](C)Cl)n2-c1cc(Cl)ccc1F C[C@@H](Cl)[*:1] Cc1nn(C)c2c1nc(n2-c1cc(Cl)ccc1F)[*:1]
CCOC(=O)c1c(C)c(C)cc(C)c1C CCOC(=O)[*:1] Cc1cc(C)c(C)c(c1C)[*:1]
CC(C)[C@@H](CCO)NC(=O)NCC1(C)Cc2ccccc2C1 CC(C)[*:1] CC1(CNC(=O)N[C@H](CCO)[*:1])Cc2ccccc2C1
CC(C)[C@@H](CCO)NC(=O)NCC1(C)Cc2ccccc2C1 OCC[*:1] CC(C)[C@@H](NC(=O)NCC1(C)Cc2ccccc2C1)[*:1]
CC(C)[C@@H](CCO)NC(=O)NCC1(C)Cc2ccccc2C1 CC(C)[C@@H](CCO)[*:1] CC1(CNC(=O)N[*:1])Cc2ccccc2C1
CS[C@@H](CNC(=O)N1CC[C@H](CCO)C1)c1cccc(Cl)c1 OCC[*:1] CS[C@@H](CNC(=O)N1CC[C@H](C1)[*:1])c1cccc(Cl)c1
CS[C@@H](CNC(=O)N1CC[C@H](CCO)C1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CS[C@@H](CNC(=O)N1CC[C@H](CCO)C1)[*:1]
CC(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 CC(C)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])[C@@H]1CN(C)CCO1
CC(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 CC(C)[C@H](C)[*:1] C[C@H]([NH2+][*:1])[C@@H]1CN(C)CCO1
O=C(Cc1c[nH]c2ccc(Cl)cc12)NC[C@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1c[nH]c2ccc(Cl)cc12)NC[C@H](CCO)[*:1]
O=C(Cc1c[nH]c2ccc(Cl)cc12)NC[C@H](CCO)c1ccccc1 OCC[*:1] O=C(Cc1c[nH]c2ccc(Cl)cc12)NC[C@H](c1ccccc1)[*:1]
O=C(NCc1ccccc1F)[C@H]1CCCN(c2nn3c(=O)c4c(nc3s2)CCCC4)C1 Fc1ccccc1C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nn2c(=O)c3CCCCc3nc2s1
O=C(NCc1ccccc1F)[C@H]1CCCN(c2nn3c(=O)c4c(nc3s2)CCCC4)C1 Fc1ccccc1[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nn2c(=O)c3CCCCc3nc2s1
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3cccnc23)cc1OC O=[N+]([O-])[*:1] CCOc1cc(c(cc1OC)C(=O)Nc1cccc2cccnc12)[*:1]
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3cccnc23)cc1OC CCO[*:1] COc1cc(C(=O)Nc2cccc3cccnc23)c(cc1[*:1])[N+](=O)[O-]
CC[C@@H](C)c1cc([C@H](N)C[NH3+])ccc1OC CC[C@@H](C)[*:1] COc1ccc(cc1[*:1])[C@H](N)C[NH3+]
[O-]c1nc(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1cccnc1 c1ccc(cc1)[*:1] [O-]c1nc(n[n+]2c1-c1ccccc1N[C@H]2c1cccnc1)SC[*:1]
[O-]c1nc(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1cccnc1 c1ccc(cc1)CS[*:1] [O-]c1nc(n[n+]2c1-c1ccccc1N[C@H]2c1cccnc1)[*:1]
[O-]c1nc(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1cccnc1 c1cncc(c1)[*:1] [O-]c1nc(n[n+]2c1-c1ccccc1N[C@@H]2[*:1])SCc1ccccc1
[O-]c1nc(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1cccnc1 c1ccc(cc1)C[*:1] [O-]c1nc(n[n+]2c1-c1ccccc1N[C@H]2c1cccnc1)S[*:1]
C[C@H](NC(=S)NC(=O)CC(C)(C)C)c1ccccc1 CC(C)(C)C[*:1] C[C@H](NC(=S)NC(=O)[*:1])c1ccccc1
C[C@H](NC(=S)NC(=O)CC(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=S)NC(=O)CC(C)(C)C)[*:1]
C[C@H](NC(=S)NC(=O)CC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] C[C@H](NC(=S)NC(=O)C[*:1])c1ccccc1
CC(C)(CNc1ncccc1C#N)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNc1ncccc1C#N)[*:1]
Cc1cccc(CC(=O)N2CCN(CCn3cc[nH+]c3C)CC2)c1 Cc1cccc(c1)C[*:1] Cc1[nH+]ccn1CCN1CCN(CC1)C(=O)[*:1]
Cc1cccc(CC(=O)N2CCN(CCn3cc[nH+]c3C)CC2)c1 Cc1cccc(c1)[*:1] Cc1[nH+]ccn1CCN1CCN(CC1)C(=O)C[*:1]
Cc1n[nH]c(SCC(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)n1 Cc1n[nH]c(n1)SC[*:1] C[C@H]1CCC[C@@H](C1)OCc1cccc(c1)NC(=O)[*:1]
Cc1n[nH]c(SCC(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)n1 Cc1n[nH]c(n1)[*:1] C[C@H]1CCC[C@@H](C1)OCc1cccc(c1)NC(=O)CS[*:1]
Cc1n[nH]c(SCC(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)n1 Cc1n[nH]c(n1)S[*:1] C[C@H]1CCC[C@@H](C1)OCc1cccc(c1)NC(=O)C[*:1]
O=C(CCCc1ccccc1)NC[C@@H](O)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CCC[*:1])NC[C@@H](O)c1ccc(F)cc1
O=C(CCCc1ccccc1)NC[C@@H](O)c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(CC[*:1])NC[C@@H](O)c1ccc(F)cc1
O=C(CCCc1ccccc1)NC[C@@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCCc1ccccc1)NC[C@@H](O)[*:1]
Cc1occc1CNC(=O)c1cc(S(N)(=O)=O)c(C)o1 NS(=O)(=O)[*:1] Cc1occc1CNC(=O)c1cc(c(C)o1)[*:1]
Cc1occc1CNC(=O)c1cc(S(N)(=O)=O)c(C)o1 Cc1occc1[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)NC[*:1]
C#CCN1CCN(C(=O)NCC[NH+](C)C2CC2)CC1 C1CC1[*:1] C#CCN1CCN(CC1)C(=O)NCC[NH+](C)[*:1]
C#CCN1CCN(C(=O)NCC[NH+](C)C2CC2)CC1 C#CC[*:1] C[NH+](CCNC(=O)N1CCN(CC1)[*:1])C1CC1
Cc1cc(OCC(=O)Nc2sccc2C(=O)[O-])ccc1Cl O=C([O-])[*:1] Cc1cc(ccc1Cl)OCC(=O)Nc1sccc1[*:1]
CC(C)N(Cc1cccs1)C(=O)c1ccc(C[NH3+])o1 CC(C)[*:1] [NH3+]Cc1ccc(o1)C(=O)N(Cc1cccs1)[*:1]
CC(C)N(Cc1cccs1)C(=O)c1ccc(C[NH3+])o1 c1csc(c1)C[*:1] CC(C)N(C(=O)c1ccc(C[NH3+])o1)[*:1]
CC(C)N(Cc1cccs1)C(=O)c1ccc(C[NH3+])o1 c1csc(c1)[*:1] CC(C)N(C[*:1])C(=O)c1ccc(C[NH3+])o1
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C[C@@H]1C[*:1])C1CC1
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)N1CCN(C[C@@H]1Cc1ccccc1)C1CC1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 C1CC1[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C[C@@H]1Cc1ccccc1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C2CC2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C[C@H]1[*:1])C1CC1
C[C@@]1(CO)CCC[C@H]1NC(=O)NCCNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@]1(CO)CCC[C@H]1NC(=O)NCCNC(=O)[*:1]
O=S(=O)(/N=C(\[O-])[C@H]1CCCC[C@@H]1C(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1CCCC[C@@H]1C(F)(F)F)[*:1]
O=S(=O)(/N=C(\[O-])[C@H]1CCCC[C@@H]1C(F)(F)F)C1CCCC1 FC(F)(F)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1CCCC[C@H]1[*:1])C1CCCC1
O=C(N/N=C\C=C\c1ccco1)c1cc(-c2ccc3ccccc3c2)n[nH]1 C(=C[*:1])c1ccco1 O=C(NN=C[*:1])c1cc(n[nH]1)-c1ccc2ccccc2c1
O=C(N/N=C\C=C\c1ccco1)c1cc(-c2ccc3ccccc3c2)n[nH]1 c1coc(c1)[*:1] O=C(N/N=C\C=C[*:1])c1cc(n[nH]1)-c1ccc2ccccc2c1
CCCn1c(=O)c2ccccc2n(Cc2cccc(F)c2)c1=O Fc1cccc(c1)[*:1] CCCn1c(=O)c2ccccc2n(C[*:1])c1=O
CCCn1c(=O)c2ccccc2n(Cc2cccc(F)c2)c1=O CCC[*:1] O=c1c2ccccc2n(Cc2cccc(F)c2)c(=O)n1[*:1]
CCOCCC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 CCO[*:1] O=C(CC[*:1])Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1
CCOCCC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 CCOCC[*:1] O=C(c1ccc(cc1Cl)NC(=O)[*:1])N1CCOCC1
CCOCCC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 CCOC[*:1] O=C(C[*:1])Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1
CCn1cccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] CCn1cccc1C(=O)N1CC[C@H]([C@H]1C)[*:1]
Cc1ccc2nc(C)cc(C(=O)N3CCC(=O)N(Cc4ccccc4C)CC3)c2c1 Cc1ccccc1C[*:1] Cc1ccc2nc(C)cc(C(=O)N3CCC(=O)N(CC3)[*:1])c2c1
Cc1ccc2nc(C)cc(C(=O)N3CCC(=O)N(Cc4ccccc4C)CC3)c2c1 Cc1ccccc1[*:1] Cc1ccc2nc(C)cc(C(=O)N3CCC(=O)N(CC3)C[*:1])c2c1
O=C(Nc1ccccc1CN1CCc2ccccc21)c1ccncc1Cl Clc1cnccc1[*:1] O=C(Nc1ccccc1CN1CCc2ccccc21)[*:1]
C[C@H](CNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1)[*:1]
C[C@H](CNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1)N1CCOCC1 Fc1cc(ccc1Cl)[*:1] C[C@H](CNC(=O)N[C@H](CO)[*:1])N1CCOCC1
C[C@H](CNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] O=C(NC[*:1])N[C@H](CO)c1ccc(Cl)c(F)c1
C[C@@H](CCC(C)(C)C)NC(=O)Nc1cnn(CC(F)F)c1 FC(F)[*:1] C[C@@H](CCC(C)(C)C)NC(=O)Nc1cnn(c1)C[*:1]
C[C@@H](CCC(C)(C)C)NC(=O)Nc1cnn(CC(F)F)c1 CC(C)(C)[*:1] C[C@@H](CC[*:1])NC(=O)Nc1cnn(c1)CC(F)F
C[C@@H](CCC(C)(C)C)NC(=O)Nc1cnn(CC(F)F)c1 CC(C)(C)CC[*:1] C[C@@H](NC(=O)Nc1cnn(c1)CC(F)F)[*:1]
C[C@@H](CCC(C)(C)C)NC(=O)Nc1cnn(CC(F)F)c1 FC(F)C[*:1] C[C@@H](CCC(C)(C)C)NC(=O)Nc1cnn(c1)[*:1]
C[C@@H](CCC(C)(C)C)NC(=O)Nc1cnn(CC(F)F)c1 CC(C)(C)C[*:1] C[C@@H](C[*:1])NC(=O)Nc1cnn(c1)CC(F)F
Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)s1 C1CC1[*:1] Cc1ncc(s1)[C@@H](C)[NH2+]C[C@@H]1CN(CCO1)[*:1]
Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)s1 Cc1ncc(s1)[*:1] C[C@@H]([NH2+]C[C@@H]1CN(CCO1)C1CC1)[*:1]
O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC(=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC(=O)N[*:1]
O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccc(Br)o1 Brc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=S)NC(=O)c1ccc(Br)o1
O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccc(Br)o1 Brc1ccc(cc1)O[*:1] O=C(C[*:1])NNC(=S)NC(=O)c1ccc(Br)o1
O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)[*:1]
COc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)Cc3ccc(F)cc3)nc12 C1CN(CCO1)CC[*:1] COc1ccc(Cl)c2sc(nc12)N(C(=O)Cc1ccc(F)cc1)[*:1]
COc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)Cc3ccc(F)cc3)nc12 C1CN(CCO1)[*:1] COc1ccc(Cl)c2sc(nc12)N(CC[*:1])C(=O)Cc1ccc(F)cc1
COc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)Cc3ccc(F)cc3)nc12 Fc1ccc(cc1)C[*:1] COc1ccc(Cl)c2sc(nc12)N(CCN1CCOCC1)C(=O)[*:1]
COc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)Cc3ccc(F)cc3)nc12 C1CN(CCO1)C[*:1] COc1ccc(Cl)c2sc(nc12)N(C[*:1])C(=O)Cc1ccc(F)cc1
COc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)Cc3ccc(F)cc3)nc12 Fc1ccc(cc1)[*:1] COc1ccc(Cl)c2sc(nc12)N(CCN1CCOCC1)C(=O)C[*:1]
COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C(C)[C@H](C5)[C@H]4C3=O)cc2)c1 COc1cccc(c1)C(=O)C[*:1] CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(C(=O)[C@H]21)c1ccc(cc1)C(=O)O[*:1]
COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C(C)[C@H](C5)[C@H]4C3=O)cc2)c1 COc1cccc(c1)[*:1] CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(C(=O)[C@H]21)c1ccc(cc1)C(=O)OCC(=O)[*:1]
COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C(C)[C@H](C5)[C@H]4C3=O)cc2)c1 COc1cccc(c1)C(=O)[*:1] CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(C(=O)[C@H]21)c1ccc(cc1)C(=O)OC[*:1]
C=CCOc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 C=CCO[*:1] CC1(C)[C@@H](NC(=O)c2ccc(cc2)[*:1])[C@H]2CCO[C@@H]21
C=CCOc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 C=CC[*:1] CC1(C)[C@@H](NC(=O)c2ccc(cc2)O[*:1])[C@H]2CCO[C@@H]21
NS(=O)(=O)c1cccc(CNC(=O)/C=C/SCc2ccco2)c1 NS(=O)(=O)[*:1] O=C(/C=C/SCc1ccco1)NCc1cccc(c1)[*:1]
NS(=O)(=O)c1cccc(CNC(=O)/C=C/SCc2ccco2)c1 c1coc(c1)CS[*:1] NS(=O)(=O)c1cccc(c1)CNC(=O)C=C[*:1]
NS(=O)(=O)c1cccc(CNC(=O)/C=C/SCc2ccco2)c1 c1coc(c1)[*:1] NS(=O)(=O)c1cccc(c1)CNC(=O)/C=C/SC[*:1]
NS(=O)(=O)c1cccc(CNC(=O)/C=C/SCc2ccco2)c1 c1coc(c1)C[*:1] NS(=O)(=O)c1cccc(c1)CNC(=O)/C=C/S[*:1]
COC(=O)Cc1ccc(OC(=O)c2cc3cccc(OC)c3o2)cc1 COC(=O)[*:1] COc1cccc2cc(oc12)C(=O)Oc1ccc(cc1)C[*:1]
COC(=O)Cc1ccc(OC(=O)c2cc3cccc(OC)c3o2)cc1 COC(=O)C[*:1] COc1cccc2cc(oc12)C(=O)Oc1ccc(cc1)[*:1]
CCc1cc2ccccc2nc1SCC(=O)Nc1cccc(OC)c1 COc1cccc(c1)[*:1] CCc1cc2ccccc2nc1SCC(=O)N[*:1]
CC[C@](C)([NH3+])C(=O)N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@](C)([NH3+])C(=O)N1CCN(CC1)C(=O)[*:1]
CCOC(=O)c1oc2ccccc2c1COC(=O)c1cnccn1 c1cnc(cn1)[*:1] CCOC(=O)c1oc2ccccc2c1COC(=O)[*:1]
CCOC(=O)c1oc2ccccc2c1COC(=O)c1cnccn1 CCOC(=O)[*:1] O=C(OCc1c(oc2ccccc12)[*:1])c1cnccn1
Cc1c(C(=O)OC(C)C)sc2ncn(Cc3ccccc3Cl)c(=O)c12 Clc1ccccc1[*:1] Cc1c(sc2ncn(C[*:1])c(=O)c12)C(=O)OC(C)C
Cc1c(C(=O)OC(C)C)sc2ncn(Cc3ccccc3Cl)c(=O)c12 Clc1ccccc1C[*:1] Cc1c(sc2ncn(c(=O)c12)[*:1])C(=O)OC(C)C
Cc1c(C(=O)OC(C)C)sc2ncn(Cc3ccccc3Cl)c(=O)c12 CC(C)[*:1] Cc1c(sc2ncn(Cc3ccccc3Cl)c(=O)c12)C(=O)O[*:1]
Cc1c(C(=O)OC(C)C)sc2ncn(Cc3ccccc3Cl)c(=O)c12 CC(C)OC(=O)[*:1] Cc1c(sc2ncn(Cc3ccccc3Cl)c(=O)c12)[*:1]
CCNC(=O)CN1CCN(CC(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CCNC(=O)CN1CCN(CC1)CC(=O)O[*:1]
CCNC(=O)CN1CCN(CC(=O)OC(C)(C)C)CC1 CCNC(=O)[*:1] CC(C)(C)OC(=O)CN1CCN(CC1)C[*:1]
CCNC(=O)CN1CCN(CC(=O)OC(C)(C)C)CC1 CCNC(=O)C[*:1] CC(C)(C)OC(=O)CN1CCN(CC1)[*:1]
C[S@@](=O)c1ccc(C(=O)N(Cc2ccco2)CC(F)(F)F)cc1 FC(F)(F)[*:1] C[S@@](=O)c1ccc(cc1)C(=O)N(Cc1ccco1)C[*:1]
C[S@@](=O)c1ccc(C(=O)N(Cc2ccco2)CC(F)(F)F)cc1 FC(F)(F)C[*:1] C[S@@](=O)c1ccc(cc1)C(=O)N(Cc1ccco1)[*:1]
C[S@@](=O)c1ccc(C(=O)N(Cc2ccco2)CC(F)(F)F)cc1 c1coc(c1)C[*:1] C[S@@](=O)c1ccc(cc1)C(=O)N(CC(F)(F)F)[*:1]
C[S@@](=O)c1ccc(C(=O)N(Cc2ccco2)CC(F)(F)F)cc1 c1coc(c1)[*:1] C[S@@](=O)c1ccc(cc1)C(=O)N(CC(F)(F)F)C[*:1]
O=C(NCCCN1CCOCC1)N1C[C@H]2CCCC[C@@H]2C1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])N1C[C@H]2CCCC[C@@H]2C1
O=C(NCCCN1CCOCC1)N1C[C@H]2CCCC[C@@H]2C1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])N1C[C@H]2CCCC[C@@H]2C1
Cc1noc(C)c1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 Cc1noc(C)c1[*:1] O=C(CC[*:1])NC[C@@H](c1ccccc1)[NH+]1CCCC1
Cc1noc(C)c1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 Cc1noc(C)c1C[*:1] O=C(C[*:1])NC[C@@H](c1ccccc1)[NH+]1CCCC1
Cc1noc(C)c1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] Cc1noc(C)c1CCC(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(C(=O)N(C)C)CC1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)N1CCN(CC1)C(=O)N(C)C)[*:1]
CCc1nn(C)cc1C(=O)N1CCC(C(=O)N(CC)CC)CC1 CCN(CC)C(=O)[*:1] CCc1nn(C)cc1C(=O)N1CCC(CC1)[*:1]
Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)s1 Cc1ccc(s1)[*:1] CC(C)(C)c1cc(no1)NC(=O)[*:1]
Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)s1 CC(C)(C)[*:1] Cc1ccc(s1)C(=O)Nc1cc(on1)[*:1]
CCC[C@@H](C)C(=O)N[C@@H]1CC[C@H](C)[NH2+][C@@H]1C CCC[C@@H](C)[*:1] C[C@H]1CC[C@@H](NC(=O)[*:1])[C@@H](C)[NH2+]1
CCC[C@@H](C)C(=O)N[C@@H]1CC[C@H](C)[NH2+][C@@H]1C CCC[*:1] C[C@H]1CC[C@@H](NC(=O)[C@H](C)[*:1])[C@@H](C)[NH2+]1
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN1CCOC[C@H]1C#N Clc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1CN1CCOC[C@H]1C#N
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CN1CCOC[C@H]1C#N Clc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1CN1CCOC[C@H]1C#N)[*:1]
O=C(COc1ccc2ccccc2c1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(COc1ccc2ccccc2c1)N[*:1]
COc1ccc(S(=O)(=O)N[C@H](C)Cc2ccsc2)cc1 c1cc(cs1)C[*:1] COc1ccc(cc1)S(=O)(=O)N[C@H](C)[*:1]
COc1ccc(S(=O)(=O)N[C@H](C)Cc2ccsc2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)S(=O)(=O)N[C@H](C)C[*:1]
CC(C)CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 CC(C)CCO[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccc(cc1)[*:1]
CC(C)CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 CC(C)CC[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccc(cc1)O[*:1]
CC(C)CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 CC(C)[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccc(cc1)OCC[*:1]
CC(C)CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CC(C)CCOc1ccc(cc1)[C@@]1(C)Nc2ccccc2C(=O)N1C[*:1]
CC(C)CCOc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 CC(C)C[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccc(cc1)OC[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1 Clc1ccccc1O[*:1] C[C@@H](C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1 Clc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N(C)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N(C)C[*:1]
C[C@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)[*:1]
C[C@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)N[*:1]
CC[C@H](CCO)NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 c1csc(c1)[*:1] CC[C@H](CCO)NC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
CC[C@H](CCO)NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 OCC[*:1] CC[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1)[*:1]
CC[C@H](CCO)NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 Clc1ccc(cc1)[*:1] CC[C@H](CCO)NC(=O)N[C@@H](c1cccs1)[*:1]
CC[C@H](CCO)NC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 CC[C@H](CCO)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)N[*:1]
O=C(NCC1CC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 C1CC1C[*:1] O=C(Nc1ccn(n1)-c1ccc(Cl)cc1Cl)C(=O)N[*:1]
O=C(NCC1CC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 C1CC1[*:1] O=C(NC[*:1])C(=O)Nc1ccn(n1)-c1ccc(Cl)cc1Cl
COCC(=O)N[C@@H](C)c1cc(C)sc1C COC[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)[*:1]
Cc1ccc(OCCC[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc1 CC(C)(C)[*:1] Cc1ccc(nc1)OCCC[C@@H]1CCCCN1C(=O)O[*:1]
Cc1ccc(OCCC[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc1 Cc1ccc(nc1)O[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1CCC[*:1]
Cc1ccc(OCCC[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc1 Cc1ccc(nc1)[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1CCCO[*:1]
O=C(C[C@H]1C[NH2+]CCO1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 c1ccc(cc1)[*:1] O=C(C[C@H]1C[NH2+]CCO1)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
O=C(C[C@H]1C[NH2+]CCO1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 c1ccc(cc1)C[*:1] O=C(C[C@H]1C[NH2+]CCO1)N1CCC2(CCC(=O)N(C2)[*:1])CC1
C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCN(CC1)[*:1]
C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCN(c2ccccc2O)CC1 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H](C(=O)NCC[*:1])[NH+]1CCN(CC1)c1ccccc1O
CC(=O)Nc1ccc(/C=C/C(=O)OCc2ccccc2F)cc1 Fc1ccccc1[*:1] CC(=O)Nc1ccc(/C=C/C(=O)OC[*:1])cc1
CC(=O)Nc1ccc(/C=C/C(=O)OCc2ccccc2F)cc1 CC(=O)N[*:1] O=C(/C=C/c1ccc(cc1)[*:1])OCc1ccccc1F
O=C(Nc1cnc(-c2ccccc2)s1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(Nc1cnc(s1)-c1ccccc1)c1cc(=O)[nH]c2ccc(cc12)[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])c1cc(=O)[nH]c2ccc(cc12)[N+](=O)[O-]
CCn1nc(C)c(CNC(=O)c2cccc(CCC(C)(C)O)c2)c1C CC(C)(O)[*:1] CCn1nc(C)c(CNC(=O)c2cccc(c2)CC[*:1])c1C
CCn1nc(C)c(CNC(=O)c2cccc(CCC(C)(C)O)c2)c1C CC(C)(O)CC[*:1] CCn1nc(C)c(CNC(=O)c2cccc(c2)[*:1])c1C
CCn1nc(C)c(CNC(=O)c2cccc(CCC(C)(C)O)c2)c1C CC(C)(O)C[*:1] CCn1nc(C)c(CNC(=O)c2cccc(c2)C[*:1])c1C
CC[NH2+][C@@H](C)[C@H](C)c1cc(C)c([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CC[NH2+][C@@H](C)[C@H](C)c1cc(C)c(cn1)[*:1]
Cc1cc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)c2c(=O)[nH]n(C)c2n1 c1cn(cn1)[*:1] Cc1cc(C(=O)Nc2ccc(c(F)c2)[*:1])c2c(=O)[nH]n(C)c2n1
O=C(C[C@@H]1C=CCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] O=C(C[C@@H]1C=CCC1)N1CCN(CC1)c1cccc(c1)[*:1]
Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)c1ccccc1SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)CSc1ccccc1C(=O)N[*:1]
Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)NC(=O)CSc1ccccc1[*:1]
COc1cccc([C@H]2C3=C(CCCC3=O)NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@H]32)c1 Clc1ccccc1[*:1] COc1cccc(c1)[C@H]1C2C(=O)CCCC=2NC2=NC(=NC(=O)[C@H]21)SC[*:1]
COc1cccc([C@H]2C3=C(CCCC3=O)NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@H]32)c1 COc1cccc(c1)[*:1] O=C1CCCC2NC3=NC(=NC(=O)[C@H]3[C@H](C=21)[*:1])SCc1ccccc1Cl
COc1cccc([C@H]2C3=C(CCCC3=O)NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@H]32)c1 Clc1ccccc1C[*:1] COc1cccc(c1)[C@H]1C2C(=O)CCCC=2NC2=NC(=NC(=O)[C@H]21)S[*:1]
CCc1cnc(CCNC(=O)NCc2ccccc2CO)s1 CCc1cnc(s1)[*:1] O=C(NCC[*:1])NCc1ccccc1CO
CCCCOc1ccc(NC(=O)N2CCc3nc(NC(=O)[C@@H]4CCCO4)sc3C2)cc1 CCC[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)Nc1ccc(cc1)OC[*:1])[C@@H]1CCCO1
CCCCOc1ccc(NC(=O)N2CCc3nc(NC(=O)[C@@H]4CCCO4)sc3C2)cc1 CCCC[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)Nc1ccc(cc1)O[*:1])[C@@H]1CCCO1
CCCCOc1ccc(NC(=O)N2CCc3nc(NC(=O)[C@@H]4CCCO4)sc3C2)cc1 CCCCO[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)Nc1ccc(cc1)[*:1])[C@@H]1CCCO1
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)CNC(=O)C(C#N)=C[*:1]
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(/C=C(/C#N)C(=O)NC[*:1])o1
O=C(Nc1cccc(COCc2ccco2)c1)Nc1ccc2c(c1)COC2 c1coc(c1)C[*:1] O=C(Nc1cccc(c1)CO[*:1])Nc1ccc2COCc2c1
O=C(Nc1cccc(COCc2ccco2)c1)Nc1ccc2c(c1)COC2 c1coc(c1)CO[*:1] O=C(Nc1cccc(c1)C[*:1])Nc1ccc2COCc2c1
O=C(Nc1cccc(COCc2ccco2)c1)Nc1ccc2c(c1)COC2 c1cc2COCc2cc1[*:1] O=C(Nc1cccc(c1)COCc1ccco1)N[*:1]
O=C(Nc1cccc(COCc2ccco2)c1)Nc1ccc2c(c1)COC2 c1coc(c1)[*:1] O=C(Nc1cccc(c1)COC[*:1])Nc1ccc2COCc2c1
O=C(Nc1cccc(COCc2ccco2)c1)Nc1ccc2c(c1)COC2 c1coc(c1)COC[*:1] O=C(Nc1cccc(c1)[*:1])Nc1ccc2COCc2c1
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(F)cc(F)c1 O=C([O-])[*:1] C[C@@H]1[C@H](CCN1S(=O)(=O)c1cc(F)cc(F)c1)[*:1]
C#Cc1cccc(NC(=O)C(=O)NCCc2cc(C)ccc2OC)c1 C#Cc1cccc(c1)[*:1] COc1ccc(C)cc1CCNC(=O)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2cccc(OCCC(C)C)c2)cc1S(N)(=O)=O CC(C)[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)Nc1cccc(c1)OCC[*:1]
Cc1ccc(C(=O)Nc2cccc(OCCC(C)C)c2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1cccc(c1)OCCC(C)C
Cc1ccc(C(=O)Nc2cccc(OCCC(C)C)c2)cc1S(N)(=O)=O CC(C)C[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)Nc1cccc(c1)OC[*:1]
Cc1ccc(C(=O)Nc2cccc(OCCC(C)C)c2)cc1S(N)(=O)=O CC(C)CCO[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C(=O)Nc2cccc(OCCC(C)C)c2)cc1S(N)(=O)=O CC(C)CC[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)Nc1cccc(c1)O[*:1]
Cc1cccnc1NC(=O)NC(=O)COc1cc(Cl)c(Cl)cc1Cl Cc1cccnc1[*:1] O=C(COc1cc(Cl)c(Cl)cc1Cl)NC(=O)N[*:1]
Cc1n[nH]c(SCCC(=O)Nc2ccccc2C)n1 Cc1n[nH]c(n1)[*:1] Cc1ccccc1NC(=O)CCS[*:1]
CCC(CC)NS(=O)(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)nc1 CCC(CC)[*:1] CC(C)(C)C(=O)N1CCN(CC1)c1ccc(cn1)S(=O)(=O)N[*:1]
CCC(CC)NS(=O)(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)nc1 CC(C)(C)[*:1] CCC(CC)NS(=O)(=O)c1ccc(nc1)N1CCN(CC1)C(=O)[*:1]
CCC(CC)NS(=O)(=O)c1ccc(N2CCN(C(=O)C(C)(C)C)CC2)nc1 CCC(CC)NS(=O)(=O)[*:1] CC(C)(C)C(=O)N1CCN(CC1)c1ccc(cn1)[*:1]
Cc1oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2c1C(=O)[O-] O=C([O-])[*:1] Cc1oc2ccc(cc2c1[*:1])NS(=O)(=O)c1ccc(cc1)C(C)C
Cc1oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2c1C(=O)[O-] CC(C)[*:1] Cc1oc2ccc(cc2c1C(=O)[O-])NS(=O)(=O)c1ccc(cc1)[*:1]
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1/C(=C\c2ccc(o2)-c2ccc(Cl)cc2)NC(=S)N1[*:1]
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1c1ccccc1 Clc1ccc(cc1)[*:1] O=C1/C(=C\c2ccc(o2)[*:1])NC(=S)N1c1ccccc1
CNC(=O)[C@H]1CCCN1C(=O)c1nnn[n-]1 CNC(=O)[*:1] O=C(c1nnn[n-]1)N1CCC[C@@H]1[*:1]
Cc1ccc(N(CCC#N)C(=O)CNC(=O)Cc2ccccc2)cc1C N#CC[*:1] Cc1ccc(cc1C)N(C[*:1])C(=O)CNC(=O)Cc1ccccc1
Cc1ccc(N(CCC#N)C(=O)CNC(=O)Cc2ccccc2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)N(CCC#N)C(=O)CNC(=O)[*:1]
Cc1ccc(N(CCC#N)C(=O)CNC(=O)Cc2ccccc2)cc1C Cc1ccc(cc1C)[*:1] N#CCCN(C(=O)CNC(=O)Cc1ccccc1)[*:1]
Cc1ccc(N(CCC#N)C(=O)CNC(=O)Cc2ccccc2)cc1C N#CCC[*:1] Cc1ccc(cc1C)N(C(=O)CNC(=O)Cc1ccccc1)[*:1]
Cc1ccc(N(CCC#N)C(=O)CNC(=O)Cc2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N(CCC#N)C(=O)CNC(=O)C[*:1]
CCOC(=O)[C@@H]1Nc2ccc3cc4ccccc4cc3c2[C@@H]1O CCOC(=O)[*:1] O[C@H]1c2c(ccc3cc4ccccc4cc23)N[C@H]1[*:1]
COCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 COCC[*:1] CSc1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
COCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COCCNC(=O)c1ccc(SC)c(c1)[*:1]
COCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 COC[*:1] CSc1ccc(cc1[N+](=O)[O-])C(=O)NC[*:1]
CCCN1CCO[C@@H]([C@H]([NH2+]CC)c2ccccc2C)C1 CCC[*:1] CC[NH2+][C@H](c1ccccc1C)[C@H]1CN(CCO1)[*:1]
Cc1ccc(-c2nc(/N=C/N(C)C)sc2C)cc1Cl CN(C)C=N[*:1] Cc1ccc(cc1Cl)-c1nc(sc1C)[*:1]
CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2F)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)NS(=O)(=O)c1ccc(Cl)cc1F
CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2F)CC1 Fc1cc(Cl)ccc1[*:1] CC(C)(C)OC(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
CC(C)=C(NC(=O)c1ccccc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)=C(NC(=O)c1ccccc1)C(=O)N[*:1]
CC(C)=C(NC(=O)c1ccccc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)=C(NC(=O)[*:1])C(=O)Nc1ccccc1
C[NH2+][C@@]1(CO)CCC[C@@H](N(C)CCC(F)(F)F)C1 FC(F)(F)C[*:1] C[NH2+][C@@]1(CO)CCC[C@H](C1)N(C)C[*:1]
C[NH2+][C@@]1(CO)CCC[C@@H](N(C)CCC(F)(F)F)C1 FC(F)(F)[*:1] C[NH2+][C@@]1(CO)CCC[C@H](C1)N(C)CC[*:1]
C[NH2+][C@@]1(CO)CCC[C@@H](N(C)CCC(F)(F)F)C1 FC(F)(F)CC[*:1] C[NH2+][C@@]1(CO)CCC[C@H](C1)N(C)[*:1]
CCCn1nc(C)c(CN[C@H]2CC[C@@H]([NH+](C)C)C2)c1C CCC[*:1] Cc1nn(c(C)c1CN[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
COC(=O)c1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)ccc1Cl c1csc(c1)[*:1] COC(=O)c1cc(ccc1Cl)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COC(=O)c1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)ccc1Cl COC(=O)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
S=C(Nc1ccccc1Cl)N1CCC(n2nnc(-c3cccs3)n2)CC1 Clc1ccccc1[*:1] S=C(N[*:1])N1CCC(CC1)n1nnc(n1)-c1cccs1
S=C(Nc1ccccc1Cl)N1CCC(n2nnc(-c3cccs3)n2)CC1 c1csc(c1)[*:1] S=C(Nc1ccccc1Cl)N1CCC(CC1)n1nnc(n1)[*:1]
COc1cccc(-n2cnnc2S[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-n1cnnc1S[C@@H](C(=O)N1CCOCC1)[*:1]
COc1cccc(-n2cnnc2S[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 O=C(N1CCOCC1)[*:1] COc1cccc(c1)-n1cnnc1S[C@@H](c1ccccc1)[*:1]
COc1cccc(-n2cnnc2S[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 COc1cccc(c1)[*:1] O=C([C@H](Sc1nncn1[*:1])c1ccccc1)N1CCOCC1
C[C@H]1C(=O)N(CCCc2ccccc2)C(=O)[C@@H]1C c1ccc(cc1)[*:1] C[C@H]1C(=O)N(CCC[*:1])C(=O)[C@@H]1C
C[C@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 FC(F)(F)[*:1] C[C@H](N[C@H](C)c1ccc(cc1)[*:1])c1ccc(C#N)cc1
Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1F
Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(C)c1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(NC(=O)C2CCN(CC2)C(=O)[*:1])c(C)c1
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COc1ccc(c(F)c1)[*:1]
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 c1ccc2oc(cc2c1)[*:1] C[C@@H](N(C)C(=O)COc1ccc(c(F)c1)[N+](=O)[O-])[*:1]
Cc1ccc(CN2CCN(C(=O)c3cc4occc4n3Cc3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1c(cc2occc21)C(=O)N1CCN(CC1)C[*:1]
Cc1ccc(CN2CCN(C(=O)c3cc4occc4n3Cc3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)Cn1c(cc2occc21)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(CN2CCN(C(=O)c3cc4occc4n3Cc3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CN1CCN(CC1)C(=O)c1cc2occc2n1C[*:1]
Cc1ccc(CN2CCN(C(=O)c3cc4occc4n3Cc3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)CN1CCN(CC1)C(=O)c1cc2occc2n1[*:1]
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C[C@H](C)O1 O=C(NC1CC1)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1cccc(c1)[*:1]
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C[C@H](C)O1 C1CC1[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CC[C@H](C)[C@H](C)N1C(=O)[C@@H]2CCCCN2C(=O)[C@H]1CC CC[C@H](C)[*:1] CC[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1[C@@H](C)[*:1]
CC[C@H](C)[C@H](C)N1C(=O)[C@@H]2CCCCN2C(=O)[C@H]1CC CC[C@H](C)[C@H](C)[*:1] CC[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N1[*:1]
c1ccc(CN(C[C@@H]2CCCO2)c2ncnc3sccc23)cc1 c1ccc(cc1)C[*:1] c1nc(c2ccsc2n1)N(C[C@@H]1CCCO1)[*:1]
c1ccc(CN(C[C@@H]2CCCO2)c2ncnc3sccc23)cc1 c1ccc(cc1)[*:1] c1nc(c2ccsc2n1)N(C[C@@H]1CCCO1)C[*:1]
CC(C)[NH+]1CCC(CNC(=O)C2(C#N)CC2)CC1 N#CC1(CC1)[*:1] CC(C)[NH+]1CCC(CC1)CNC(=O)[*:1]
CC(C)[NH+]1CCC(CNC(=O)C2(C#N)CC2)CC1 CC(C)[*:1] N#CC1(CC1)C(=O)NCC1CC[NH+](CC1)[*:1]
Cc1cnn(CCC(=O)NC2(C#N)CCCCC2)c1 Cc1cnn(c1)[*:1] N#CC1(CCCCC1)NC(=O)CC[*:1]
C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc[nH]1)C(C)(C)C[NH+](C)C c1c[nH]c(c1)[*:1] C[C@@H](NC(=O)N1CCC[C@H]1[*:1])C(C)(C)C[NH+](C)C
[NH3+]Cc1cc2c(cc1OCc1nccs1)OCO2 c1csc(C[*:1])n1 [NH3+]Cc1cc2OCOc2cc1O[*:1]
[NH3+]Cc1cc2c(cc1OCc1nccs1)OCO2 c1csc(n1)[*:1] [NH3+]Cc1cc2OCOc2cc1OC[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)NCCc1nccs1 c1csc(C[*:1])n1 Cc1c(F)cc(N)cc1S(=O)(=O)NC[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)NCCc1nccs1 c1csc(n1)[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)NCC[*:1]
CC(C)OC(=O)CCNC(=O)c1cc2cccc(Cl)c2o1 CC(C)OC(=O)C[*:1] O=C(NC[*:1])c1cc2cccc(Cl)c2o1
CC(C)OC(=O)CCNC(=O)c1cc2cccc(Cl)c2o1 CC(C)[*:1] O=C(CCNC(=O)c1cc2cccc(Cl)c2o1)O[*:1]
CC(C)OC(=O)CCNC(=O)c1cc2cccc(Cl)c2o1 CC(C)OC(=O)[*:1] O=C(NCC[*:1])c1cc2cccc(Cl)c2o1
CCN(CC(C)(C)O)C(=O)c1cccc(C#CCCO)c1 OCC[*:1] CCN(CC(C)(C)O)C(=O)c1cccc(C#C[*:1])c1
CCN(CC(C)(C)O)C(=O)c1cccc(C#CCCO)c1 OCCC#C[*:1] CCN(CC(C)(C)O)C(=O)c1cccc(c1)[*:1]
CCN(CC(C)(C)O)C(=O)c1cccc(C#CCCO)c1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)c1cccc(C#CCCO)c1
CCN(CC(C)(C)O)C(=O)c1cccc(C#CCCO)c1 CC(C)(O)C[*:1] CCN(C(=O)c1cccc(C#CCCO)c1)[*:1]
CC[C@@H](c1ccccc1)[C@H](O)C(C)C CC(C)[*:1] CC[C@@H](c1ccccc1)[C@H](O)[*:1]
Cc1ccc(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)cc1S(C)(=O)=O Clc1cccc(c1)C[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)[C@@H](C)[*:1]
Cc1ccc(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H](C)Cc1cccc(Cl)c1
Cc1ccc(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)cc1S(C)(=O)=O Clc1cccc(c1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)[C@@H](C)C[*:1]
COc1cc(C2(C(=O)NCCn3cnnc3C(C)C)CCCC2)ccc1C CC(C)[*:1] COc1cc(ccc1C)C1(CCCC1)C(=O)NCCn1cnnc1[*:1]
COc1cc(C2(C(=O)NCCn3cnnc3C(C)C)CCCC2)ccc1C CC(C)c1nncn1C[*:1] COc1cc(ccc1C)C1(CCCC1)C(=O)NC[*:1]
COc1cc(C2(C(=O)NCCn3cnnc3C(C)C)CCCC2)ccc1C CC(C)c1nncn1[*:1] COc1cc(ccc1C)C1(CCCC1)C(=O)NCC[*:1]
COc1cc(C2(C(=O)NCCn3cnnc3C(C)C)CCCC2)ccc1C COc1cc(ccc1C)[*:1] CC(C)c1nncn1CCNC(=O)C1(CCCC1)[*:1]
CCC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1 CSc1cccc(c1)[*:1] CCC(=O)Nc1ccc(cc1)N[C@@H](C)C(=O)N[*:1]
CCC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1 CCC(=O)N[*:1] CSc1cccc(c1)NC(=O)[C@H](C)Nc1ccc(cc1)[*:1]
NC(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)c2ccccc21 Fc1ccccc1[*:1] NC(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2[*:1])c2ccccc21
NC(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)c2ccccc21 NC(=O)[*:1] O=C([C@H]1C[C@@H]1c1ccccc1F)N1CC[C@H](c2ccccc21)[*:1]
COCc1cc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)ccc1F COC[*:1] O=C(Nc1ccc(cc1)OC[C@@H]1CCCO1)c1ccc(F)c(c1)[*:1]
COCc1cc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)ccc1F C1CO[C@@H](C1)CO[*:1] COCc1cc(ccc1F)C(=O)Nc1ccc(cc1)[*:1]
O=c1nc(N2CCCCC2)ccn1C(/[NH+]=C(/c1ccccc1)N1CCCCC1)=C(Cl)Cl c1ccc(cc1)[*:1] O=c1nc(ccn1C(/[NH+]=C(\N1CCCCC1)[*:1])=C(Cl)Cl)N1CCCCC1
O=c1nc(N2CCCCC2)ccn1C(/[NH+]=C(/c1ccccc1)N1CCCCC1)=C(Cl)Cl C1CCN(CC1)[*:1] O=c1nc(ccn1C(/[NH+]=C(/c1ccccc1)N1CCCCC1)=C(Cl)Cl)[*:1]
Cc1cc[nH+]c2c1NC(=O)[C@@H](Cc1ccccc1)N2 c1ccc(cc1)[*:1] Cc1cc[nH+]c2N[C@H](C[*:1])C(=O)Nc12
N#CCCCSc1nnc(-c2ccccc2)n1-c1ccccc1 N#CC[*:1] c1ccc(cc1)-c1nnc(SCC[*:1])n1-c1ccccc1
N#CCCCSc1nnc(-c2ccccc2)n1-c1ccccc1 N#CCCC[*:1] c1ccc(cc1)-c1nnc(S[*:1])n1-c1ccccc1
N#CCCCSc1nnc(-c2ccccc2)n1-c1ccccc1 N#CCCCS[*:1] c1ccc(cc1)-c1nnc(n1-c1ccccc1)[*:1]
N#CCCCSc1nnc(-c2ccccc2)n1-c1ccccc1 N#CCC[*:1] c1ccc(cc1)-c1nnc(SC[*:1])n1-c1ccccc1
N#CCCCSc1nnc(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] N#CCCCSc1nnc(-c2ccccc2)n1[*:1]
N#CCCCSc1nnc(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] N#CCCCSc1nnc(n1-c1ccccc1)[*:1]
N#CCSc1cccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1 N#CC[*:1] O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc(c1)S[*:1]
N#CCSc1cccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1 N#CCS[*:1] O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc(c1)[*:1]
COc1ccc2c(c1)=[NH+][C@H](SCC(=O)Nc1ncc(C)s1)[NH+]=2 Cc1cnc(s1)[*:1] COc1ccc2=[NH+][C@H]([NH+]=c2c1)SCC(=O)N[*:1]
C[C@H](O)C(=O)N1CCc2[nH]c(-c3ccccc3)[nH+]c2C1 c1ccc(cc1)[*:1] C[C@H](O)C(=O)N1CCc2[nH]c([nH+]c2C1)[*:1]
C[C@H](O)C(=O)N1CCc2[nH]c(-c3ccccc3)[nH+]c2C1 C[C@H](O)[*:1] O=C(N1CCc2[nH]c([nH+]c2C1)-c1ccccc1)[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(N2CCCCCC2)c1 Cc1n[nH]c(C)c1[*:1] O=C(Nc1cccc(c1)N1CCCCCC1)N1CCC[C@@H]1[*:1]
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(N2CCCCCC2)c1 C1CCCN(CC1)[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(c1)[*:1]
CNC(=O)[C@@H]1CCCN(Cc2cncs2)C1 CNC(=O)[*:1] c1ncc(CN2CCC[C@H](C2)[*:1])s1
CNC(=O)[C@@H]1CCCN(Cc2cncs2)C1 c1ncc(s1)[*:1] CNC(=O)[C@@H]1CCCN(C1)C[*:1]
CC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CC[C@@H](O)c1nc2ccccc2n1CCO[*:1]
CC(C)=C1C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3C)cc21 Cc1cc(F)ccc1[*:1] CC(C)=C1C(=O)Nc2ccc(cc21)S(=O)(=O)N[*:1]
CC[C@H](Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)Nc1oc(C)c(C)c1C#N c1coc(c1)[*:1] CC[C@H](Oc1c(oc2ccccc2c1=O)[*:1])C(=O)Nc1oc(C)c(C)c1C#N
CC[C@H](Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)Nc1oc(C)c(C)c1C#N Cc1oc(c(C#N)c1C)[*:1] CC[C@H](Oc1c(oc2ccccc2c1=O)-c1ccco1)C(=O)N[*:1]
C[C@@H]1CN(C)c2ccccc2CN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C[C@@H]1CN(C)c2ccccc2CN1C(=O)CS[*:1]
C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(cc1)NC(=O)[*:1]
CCCCOc1ccc(C(=O)N2CCNC(=O)C2)cc1OCC CCO[*:1] CCCCOc1ccc(cc1[*:1])C(=O)N1CCNC(=O)C1
CCCCOc1ccc(C(=O)N2CCNC(=O)C2)cc1OCC CCCC[*:1] CCOc1cc(ccc1O[*:1])C(=O)N1CCNC(=O)C1
CCCCOc1ccc(C(=O)N2CCNC(=O)C2)cc1OCC CCC[*:1] CCOc1cc(ccc1OC[*:1])C(=O)N1CCNC(=O)C1
CCCCOc1ccc(C(=O)N2CCNC(=O)C2)cc1OCC CCCCO[*:1] CCOc1cc(ccc1[*:1])C(=O)N1CCNC(=O)C1
CCN1C[C@H](C(=O)N2CCCC[C@H]2CC(=O)OC)CC1=O COC(=O)[*:1] CCN1C[C@@H](CC1=O)C(=O)N1CCCC[C@H]1C[*:1]
CCN1C[C@H](C(=O)N2CCCC[C@H]2CC(=O)OC)CC1=O COC(=O)C[*:1] CCN1C[C@@H](CC1=O)C(=O)N1CCCC[C@@H]1[*:1]
Cc1cccc(-n2nnc(C(=O)Nc3cccc([C@H](C)O)c3)c2C)c1 C[C@H](O)[*:1] Cc1cccc(c1)-n1nnc(C(=O)Nc2cccc(c2)[*:1])c1C
Cc1cccc(-n2nnc(C(=O)Nc3cccc([C@H](C)O)c3)c2C)c1 Cc1cccc(c1)[*:1] Cc1c(nnn1[*:1])C(=O)Nc1cccc(c1)[C@H](C)O
O=C(CCCOc1ccccc1F)N[C@H]1c2ccccc2C[C@@H]1O Fc1ccccc1[*:1] O=C(CCCO[*:1])N[C@H]1c2ccccc2C[C@@H]1O
O=C(CCCOc1ccccc1F)N[C@H]1c2ccccc2C[C@@H]1O Fc1ccccc1O[*:1] O=C(CCC[*:1])N[C@H]1c2ccccc2C[C@@H]1O
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCCC[C@H]1[*:1]
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 Fc1ccccc1C[*:1] O=C(NNC(=O)[*:1])N[C@H]1CCCC[C@@H]1OC1CCCC1
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 Fc1ccccc1[*:1] O=C(C[*:1])NNC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1
O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(Cc1ccccc1F)NNC(=O)N[C@H]1CCCC[C@@H]1O[*:1]
Cc1nc(C)c(CC(=O)N2CCO[C@@H](c3ccccc3)C2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1nc(C)c(CC(=O)N2CCO[C@@H](C2)[*:1])c(=O)[nH]1
CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cnn2cccnc12 c1ccc(cc1)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1cnn2cccnc12
CCOc1ncccc1C(=O)Nc1cc(C(C)(C)C)nn1C CC(C)(C)[*:1] CCOc1ncccc1C(=O)Nc1cc(nn1C)[*:1]
CCOc1ncccc1C(=O)Nc1cc(C(C)(C)C)nn1C CCO[*:1] Cn1nc(cc1NC(=O)c1cccnc1[*:1])C(C)(C)C
Cc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3CCO)c3c2CCC3)c(F)c1 OCC[*:1] Cc1ccc(c(F)c1)-n1nc(C(=O)N2CCCC[C@H]2[*:1])c2CCCc21
Cc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3CCO)c3c2CCC3)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(c1nn(c2CCCc12)[*:1])N1CCCC[C@@H]1CCO
C[C@@H](c1ccccc1)N1CCC(=O)N2CCCC[C@@H]2C1=O c1ccc(cc1)[*:1] C[C@@H](N1CCC(=O)N2CCCC[C@@H]2C1=O)[*:1]
O[C@H]1CC[C@@H](Oc2ccc(Cc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] O[C@H]1CC[C@H](C1)Oc1ccc(cc1)C[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)NC1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] Cc1ccc(cc1C(=O)NC1CCN(CC1)C(=O)[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)NC1CCN(C(=O)c2ccco2)CC1 CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)NC1CCN(CC1)C(=O)c1ccco1)[*:1]
CC[NH+]1CCN(C(=O)c2cc(Nc3ccccc3)nc3ccccc23)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)C(=O)c1cc(nc2ccccc12)N[*:1]
CC[NH+]1CCN(C(=O)c2cc(Nc3ccccc3)nc3ccccc23)CC1 c1ccc(cc1)N[*:1] CC[NH+]1CCN(CC1)C(=O)c1cc(nc2ccccc12)[*:1]
COC(=O)NCC(=O)N[C@H]1CCCCNC1=O COC(=O)N[*:1] O=C(C[*:1])N[C@H]1CCCCNC1=O
Cc1cccc(C)c1-n1c(=S)[nH]c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 c1ccc(cc1)[*:1] Cc1cccc(C)c1-n1c(=S)[nH]c2sc3CN(CCc3c2c1=O)C[*:1]
Cc1cccc(C)c1-n1c(=S)[nH]c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 c1ccc(cc1)C[*:1] Cc1cccc(C)c1-n1c(=S)[nH]c2sc3CN(CCc3c2c1=O)[*:1]
Cc1cccc(C)c1-n1c(=S)[nH]c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 Cc1cccc(C)c1[*:1] O=c1c2c3CCN(Cc4ccccc4)Cc3sc2[nH]c(=S)n1[*:1]
Cc1ccc(N[C@H](C)c2ccoc2)cc1C c1cc(co1)[*:1] Cc1ccc(cc1C)N[C@H](C)[*:1]
C[C@H](O)CN(C)C(=O)NCCc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](O)CN(C)C(=O)NCCc1ccc(cc1)[*:1]
C[C@H](O)CN(C)C(=O)NCCc1ccc(S(C)(=O)=O)cc1 C[C@H](O)[*:1] CN(C[*:1])C(=O)NCCc1ccc(cc1)S(C)(=O)=O
Cc1cscc1CNS(=O)(=O)C[C@H](C)CCl C[C@H](CCl)[*:1] Cc1cscc1CNS(=O)(=O)C[*:1]
Cc1cscc1CNS(=O)(=O)C[C@H](C)CCl C[C@H](CCl)C[*:1] Cc1cscc1CNS(=O)(=O)[*:1]
FC(F)(F)c1ccnc(NCc2cc[nH]n2)n1 c1cc(n[nH]1)[*:1] FC(F)(F)c1ccnc(n1)NC[*:1]
FC(F)(F)c1ccnc(NCc2cc[nH]n2)n1 FC(F)(F)[*:1] c1cc(nc(n1)NCc1cc[nH]n1)[*:1]
Cc1ccc(S[C@H](CC(=O)c2ccc(C)cc2)C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S[C@H](CC(=O)[*:1])C(=O)[O-]
Cc1ccc(S[C@H](CC(=O)c2ccc(C)cc2)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)S[C@H](CC(=O)c1ccc(C)cc1)[*:1]
Cc1ccc(S[C@H](CC(=O)c2ccc(C)cc2)C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)C[C@@H](S[*:1])C(=O)[O-]
Fc1ccccc1C1=NN=C2CCN(Cc3cccn3-c3nccs3)C[C@H]21 Fc1ccccc1[*:1] c1cc(CN2CCC3=NN=C([C@@H]3C2)[*:1])n(c1)-c1nccs1
Fc1ccccc1C1=NN=C2CCN(Cc3cccn3-c3nccs3)C[C@H]21 c1csc(n1)[*:1] Fc1ccccc1C1=NN=C2CCN(Cc3cccn3[*:1])C[C@H]21
CCCN[C@@H](c1ccc[nH+]c1N)[C@H]1C[NH+]2CCN1CC2 CCCN[*:1] Nc1[nH+]cccc1[C@@H]([C@H]1C[NH+]2CCN1CC2)[*:1]
CCCN[C@@H](c1ccc[nH+]c1N)[C@H]1C[NH+]2CCN1CC2 CCC[*:1] Nc1[nH+]cccc1[C@H](N[*:1])[C@H]1C[NH+]2CCN1CC2
Cc1c([C@H](C#N)NCCCO)cnn1C OCCC[*:1] Cc1c(cnn1C)[C@H](C#N)N[*:1]
Cc1c([C@H](C#N)NCCCO)cnn1C OCCCN[*:1] Cc1c(cnn1C)[C@H](C#N)[*:1]
Cc1c([C@H](C#N)NCCCO)cnn1C OCC[*:1] Cc1c(cnn1C)[C@H](C#N)NC[*:1]
CCOC(=O)C(CC)(CC)c1nc2cnccc2s1 CCOC(=O)[*:1] CCC(CC)(c1nc2cnccc2s1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C[S@@](=O)Cc2cccnc2)C1 c1cncc(c1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[S@@](=O)C[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C[S@@](=O)Cc2cccnc2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)C[S@@](=O)Cc1cccnc1
CC(C)(C)OC(=O)N1CCC[C@H](C[S@@](=O)Cc2cccnc2)C1 c1cncc(c1)C[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[S@@](=O)[*:1]
CC[NH+](C)CCOc1ccc(C(N)=S)cc1 NC(=S)[*:1] CC[NH+](C)CCOc1ccc(cc1)[*:1]
CCn1cc(C(=O)N2CC(c3nc(-c4ccncc4)no3)C2)c(=O)c2ccc(C)nc21 c1cc(ccn1)[*:1] CCn1cc(C(=O)N2CC(C2)c2nc(no2)[*:1])c(=O)c2ccc(C)nc21
COc1ccc(S(=O)(=O)[N-]c2nc(-c3cccc(F)c3)cs2)cc1 COc1ccc(cc1)[*:1] O=S(=O)([N-]c1nc(cs1)-c1cccc(F)c1)[*:1]
COc1ccc(S(=O)(=O)[N-]c2nc(-c3cccc(F)c3)cs2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)[N-]c1nc(cs1)[*:1]
NC(=S)c1[nH+]ccn1CC(=O)Nc1ccc(Br)cc1 NC(=S)[*:1] O=C(Cn1cc[nH+]c1[*:1])Nc1ccc(Br)cc1
COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(-n4cccc4)nc3)cc12 COC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])c1ccc(nc1)-n1cccc1
COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(-n4cccc4)nc3)cc12 c1ccn(c1)[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)c1ccc(nc1)[*:1]
CC(C)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)[*:1]
CC(C)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC(C)C(=O)N[C@@H]1CCCN(C1)C(=O)O[*:1]
CC(C)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)C(=O)N[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)[*:1]
CN(CCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O)[*:1]
COC(=O)CCCN1CCO[C@H](C(N)=S)C1 NC(=S)[*:1] COC(=O)CCCN1CCO[C@H](C1)[*:1]
COC(=O)CCCN1CCO[C@H](C(N)=S)C1 COC(=O)C[*:1] NC(=S)[C@@H]1CN(CCO1)CC[*:1]
COC(=O)CCCN1CCO[C@H](C(N)=S)C1 COC(=O)[*:1] NC(=S)[C@@H]1CN(CCC[*:1])CCO1
O=C(N[C@H](CO)C(=O)[O-])[C@H]1CCCc2ccccc21 O=C([O-])[*:1] O=C(N[C@H](CO)[*:1])[C@H]1CCCc2ccccc21
C=CCCOCc1ccc(C(=O)OC)cn1 C=CC[*:1] COC(=O)c1ccc(COC[*:1])nc1
C=CCCOCc1ccc(C(=O)OC)cn1 COC(=O)[*:1] C=CCCOCc1ccc(cn1)[*:1]
C=CCCOCc1ccc(C(=O)OC)cn1 C=CCCO[*:1] COC(=O)c1ccc(C[*:1])nc1
C=CCCOCc1ccc(C(=O)OC)cn1 C=CCC[*:1] COC(=O)c1ccc(CO[*:1])nc1
COc1ccc(NC(=O)CSc2nnc3ccc(-c4ccco4)nn23)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)NC(=O)CSc1nnc2ccc(nn12)[*:1]
COc1ccccc1[C@H](C)N(C)CCc1nc2ccccc2c(=O)[nH]1 COc1ccccc1[*:1] C[C@H](N(C)CCc1nc2ccccc2c(=O)[nH]1)[*:1]
CCOc1ccccc1N1C[C@@H](C(=O)NCc2ccccn2)CC1=O CCO[*:1] O=C(NCc1ccccn1)[C@H]1CC(=O)N(C1)c1ccccc1[*:1]
CCOc1ccccc1N1C[C@@H](C(=O)NCc2ccccn2)CC1=O c1ccc(C[*:1])nc1 CCOc1ccccc1N1C[C@H](CC1=O)C(=O)N[*:1]
CCOc1ccccc1N1C[C@@H](C(=O)NCc2ccccn2)CC1=O c1ccc(nc1)[*:1] CCOc1ccccc1N1C[C@H](CC1=O)C(=O)NC[*:1]
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)C[C@@H](C)O1 c1ccc2sc(nc2c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1nc2ccccn2c(=O)c1C=C(C#N)[*:1]
O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc2c1OCCO2 O=C([O-])[*:1] O=S(=O)([N-]c1cc(F)ccc1F)c1cc2OCCOc2c(c1)[*:1]
O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc2c1OCCO2 Fc1ccc(F)c(c1)[*:1] O=C([O-])c1cc(cc2OCCOc21)S(=O)(=O)[N-][*:1]
CC[C@@H]1CN(CC(=O)Nc2nc(C)cs2)c2ccccc2S1 Cc1csc(n1)[*:1] CC[C@@H]1CN(CC(=O)N[*:1])c2ccccc2S1
O=C(C[NH2+]CCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 c1ccc(cc1)C[*:1] O=C(C[NH2+]C[*:1])Nc1ccc(Cl)c(Cl)c1
O=C(C[NH2+]CCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] O=C(C[NH2+]CC[*:1])Nc1ccc(Cl)c(Cl)c1
CC1CCN(C2=[NH+]CCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] CC1CCN(CC1)C1=[NH+]CCN1C(=O)c1ccc(cc1)[*:1]
COc1ccc(Br)c(C(=O)NCCN2CCN(C(=O)c3cc(C)on3)CC2)c1 Cc1cc(no1)[*:1] COc1ccc(Br)c(c1)C(=O)NCCN1CCN(CC1)C(=O)[*:1]
COc1ccc(Br)c(C(=O)NCCN2CCN(C(=O)c3cc(C)on3)CC2)c1 COc1ccc(Br)c(c1)[*:1] Cc1cc(no1)C(=O)N1CCN(CCNC(=O)[*:1])CC1
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(F)cc3)nc(N)c1[C@H]2c1cccnc1 Fc1ccc(cc1)CS[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc(nc(N)c1[C@H]2c1cccnc1)[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(F)cc3)nc(N)c1[C@H]2c1cccnc1 Fc1ccc(cc1)C[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc(nc(N)c1[C@H]2c1cccnc1)S[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(F)cc3)nc(N)c1[C@H]2c1cccnc1 c1cncc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc(nc(N)c1[C@@H]2[*:1])SCc1ccc(F)cc1
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(F)cc3)nc(N)c1[C@H]2c1cccnc1 Fc1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc(nc(N)c1[C@H]2c1cccnc1)SC[*:1]
CCOC(=O)Cc1nc(-c2ccc3ccccc3n2)no1 CCOC(=O)C[*:1] c1ccc2nc(ccc2c1)-c1noc(n1)[*:1]
CCOC(=O)Cc1nc(-c2ccc3ccccc3n2)no1 CCOC(=O)[*:1] c1ccc2nc(ccc2c1)-c1noc(C[*:1])n1
CCCCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1 COc1cccc(c1)[*:1] CCCCNC(=O)c1cc2c(nn(C)c2s1)[*:1]
CCCCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1 CCCC[*:1] COc1cccc(c1)-c1nn(C)c2sc(cc12)C(=O)N[*:1]
CCCCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1 CCC[*:1] COc1cccc(c1)-c1nn(C)c2sc(cc12)C(=O)NC[*:1]
CCCCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1 CCCCNC(=O)[*:1] COc1cccc(c1)-c1nn(C)c2sc(cc12)[*:1]
Cc1cccc(NC(=O)CCNc2nnc(Cl)cc2C(N)=O)n1 NC(=O)[*:1] Cc1cccc(n1)NC(=O)CCNc1nnc(Cl)cc1[*:1]
Cc1cccc(NC(=O)CCNc2nnc(Cl)cc2C(N)=O)n1 Cc1cccc(n1)[*:1] NC(=O)c1cc(Cl)nnc1NCCC(=O)N[*:1]
Cc1ccc(N2C(=O)C[C@H](SCCO)C2=O)cc1 OCCS[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C1=O)[*:1]
Cc1ccc(N2C(=O)C[C@H](SCCO)C2=O)cc1 OCC[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](S[*:1])C1=O
CCc1ncc2c(n1)CN(C(=O)c1cc(C3CC3)nc3ccccc13)C2 C1CC1[*:1] CCc1ncc2CN(Cc2n1)C(=O)c1cc(nc2ccccc12)[*:1]
CCC[NH2+][C@H](Cc1[nH+]ccn1C)[C@H]1CN(C)CCO1 CCC[*:1] CN1CCO[C@H](C1)[C@@H](Cc1[nH+]ccn1C)[NH2+][*:1]
Cc1cncc(NC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 Cc1cncc(c1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)-n1ccnc1
Cc1cncc(NC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 c1cn(cn1)[*:1] Cc1cncc(c1)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CCCSCc1cc(F)cc(Br)c1 CCCS[*:1] Fc1cc(Br)cc(c1)C[*:1]
CCCSCc1cc(F)cc(Br)c1 CCC[*:1] Fc1cc(Br)cc(c1)CS[*:1]
CC(=O)c1cc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C)CC2)cs1 CC(=O)[*:1] Cn1c(C[NH+](C)C)nnc1C1CC[NH+](CC1)Cc1csc(c1)[*:1]
CC(=O)c1cc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C)CC2)cs1 CC(=O)c1cc(cs1)[*:1] Cn1c(C[NH+](C)C)nnc1C1CC[NH+](CC1)C[*:1]
CCOc1ccc(-c2noc(CCC(=O)Nc3ncccc3C)n2)cc1 Cc1cccnc1[*:1] CCOc1ccc(cc1)-c1noc(CCC(=O)N[*:1])n1
CCOc1ccc(-c2noc(CCC(=O)Nc3ncccc3C)n2)cc1 CCO[*:1] Cc1cccnc1NC(=O)CCc1nc(no1)-c1ccc(cc1)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)OCC(=O)N[C@H](C)[C@@H](O)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)CO[*:1]
COC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 COC(=O)[*:1] Cc1noc(C)c1S(=O)(=O)NC1(CCCC1)[*:1]
O=C(NCCc1c[nH]c2ccccc12)NNc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccccc12)NN[*:1]
CCC[C@@H](c1nc(Cc2cccc(Cl)c2)no1)[NH+](C)C CCC[*:1] C[NH+](C)[C@H](c1nc(Cc2cccc(Cl)c2)no1)[*:1]
Cc1ccc([C@@H](O)CNC(=O)c2cccc(C#N)c2)cc1 Cc1ccc(cc1)[*:1] N#Cc1cccc(c1)C(=O)NC[C@H](O)[*:1]
Cc1nc(C2(NC(=O)c3ccc(-n4c(C)c[nH]c4=O)cc3)CCCCC2)no1 Cc1nc(no1)[*:1] Cc1c[nH]c(=O)n1-c1ccc(cc1)C(=O)NC1(CCCCC1)[*:1]
Cc1nc(C2(NC(=O)c3ccc(-n4c(C)c[nH]c4=O)cc3)CCCCC2)no1 Cc1c[nH]c(=O)n1[*:1] Cc1nc(no1)C1(CCCCC1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(C)c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 Cc1ccc(C)c(c1)[*:1] O=C(COC(=O)[*:1])NCc1ccc2OCOc2c1
CCc1noc(CC)c1CNC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC CC[C@H](C)[*:1] CCc1noc(CC)c1CNC(=O)c1cc(C)nc2c1cnn2[*:1]
CCc1noc(CC)c1CNC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC CCc1noc(CC)c1[*:1] CC[C@H](C)n1ncc2c(cc(C)nc21)C(=O)NC[*:1]
COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O C1CCC(C1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)O[*:1])=C(C)NC2CC(C)(C)CC(=O)C=21
COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O COc1cc(ccc1O)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)OC1CCCC1)[*:1]
COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O O=C(OC1CCCC1)[*:1] COc1cc(ccc1O)[C@@H]1C2C(=O)CC(C)(C)CC=2NC(C)=C1[*:1]
CCCn1c(CN2CCO[C@H](C(N)=O)C2)nc2ccccc21 NC(=O)[*:1] CCCn1c(CN2CCO[C@H](C2)[*:1])nc2ccccc21
CCCn1c(CN2CCO[C@H](C(N)=O)C2)nc2ccccc21 CCC[*:1] NC(=O)[C@@H]1CN(CCO1)Cc1nc2ccccc2n1[*:1]
Cc1cc(C)c(NC(=O)N[C@H](c2nnc3ccccn23)C(C)C)c(C)c1 CC(C)[*:1] Cc1cc(C)c(NC(=O)N[C@H](c2nnc3ccccn23)[*:1])c(C)c1
COC(=O)c1cc(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)ccc1OC COC(=O)[*:1] COc1ccc(cc1[*:1])CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])c1ccccc1
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 O=C(c1ccccc1)[*:1] c1ccc2c(c[nH]c2c1)-c1nnc(SC[*:1])n1C1CC1
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 O=C(C[*:1])c1ccccc1 c1ccc2c(c[nH]c2c1)-c1nnc(S[*:1])n1C1CC1
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 C1CC1[*:1] O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1[*:1])c1ccccc1
O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)[*:1]
C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CC(=O)N(C1)[*:1]
C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CC(=O)N(C1)C[*:1]
C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 Fc1ccc(cc1)[*:1] CC(=C[*:1])C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1
COCc1cc(C)[nH+]c2c1C(=O)N[C@@H](c1ccc(NC(C)=O)cc1)N2Cc1ccccc1 COC[*:1] CC(=O)Nc1ccc(cc1)[C@@H]1NC(=O)c2c(cc(C)[nH+]c2N1Cc1ccccc1)[*:1]
COCc1cc(C)[nH+]c2c1C(=O)N[C@@H](c1ccc(NC(C)=O)cc1)N2Cc1ccccc1 c1ccc(cc1)C[*:1] COCc1cc(C)[nH+]c2c1C(=O)N[C@@H](c1ccc(cc1)NC(C)=O)N2[*:1]
COCc1cc(C)[nH+]c2c1C(=O)N[C@@H](c1ccc(NC(C)=O)cc1)N2Cc1ccccc1 CC(=O)Nc1ccc(cc1)[*:1] COCc1cc(C)[nH+]c2c1C(=O)N[C@@H](N2Cc1ccccc1)[*:1]
COCc1cc(C)[nH+]c2c1C(=O)N[C@@H](c1ccc(NC(C)=O)cc1)N2Cc1ccccc1 c1ccc(cc1)[*:1] COCc1cc(C)[nH+]c2c1C(=O)N[C@@H](c1ccc(cc1)NC(C)=O)N2C[*:1]
COCc1cc(C)[nH+]c2c1C(=O)N[C@@H](c1ccc(NC(C)=O)cc1)N2Cc1ccccc1 CC(=O)N[*:1] COCc1cc(C)[nH+]c2c1C(=O)N[C@@H](c1ccc(cc1)[*:1])N2Cc1ccccc1
CNc1scc(-c2ccc(Br)cc2)[n+]1/N=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CNc1scc(-c2ccc(Br)cc2)[n+]1N=C[*:1]
CNc1scc(-c2ccc(Br)cc2)[n+]1/N=C/c1ccc(Cl)cc1 Brc1ccc(cc1)[*:1] CNc1scc([n+]1/N=C/c1ccc(Cl)cc1)[*:1]
O=C(NC1=NCCS1)c1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NC1=NCCS1)c1coc(n1)[*:1]
Cc1ccccc1OCC#CCNC(=O)NC(C)C CC(C)[*:1] Cc1ccccc1OCC#CCNC(=O)N[*:1]
Cc1n[nH]c(CCNc2cc(C(C)C)[nH+]c(N)n2)n1 CC(C)[*:1] Cc1n[nH]c(CCNc2cc([nH+]c(N)n2)[*:1])n1
Cc1n[nH]c(CCNc2cc(C(C)C)[nH+]c(N)n2)n1 Cc1n[nH]c(n1)[*:1] CC(C)c1cc(nc(N)[nH+]1)NCC[*:1]
CC(=O)c1ccc(NC(=O)Cc2csc(-n3nc(C)c(Cl)c3C)n2)cc1 Cc1nn(c(C)c1Cl)[*:1] CC(=O)c1ccc(cc1)NC(=O)Cc1csc(n1)[*:1]
CC(=O)c1ccc(NC(=O)Cc2csc(-n3nc(C)c(Cl)c3C)n2)cc1 CC(=O)[*:1] Cc1nn(-c2nc(cs2)CC(=O)Nc2ccc(cc2)[*:1])c(C)c1Cl
C(=N/N(Cc1ccccc1)c1ccccc1)\c1ccccc1 c1ccc(cc1)[*:1] C(=NN(Cc1ccccc1)c1ccccc1)[*:1]
C(=N/N(Cc1ccccc1)c1ccccc1)\c1ccccc1 c1ccc(cc1)[*:1] C(=N/N(C[*:1])c1ccccc1)\c1ccccc1
C(=N/N(Cc1ccccc1)c1ccccc1)\c1ccccc1 c1ccc(cc1)[*:1] C(=N/N(Cc1ccccc1)[*:1])\c1ccccc1
C(=N/N(Cc1ccccc1)c1ccccc1)\c1ccccc1 c1ccc(cc1)C[*:1] C(=N/N(c1ccccc1)[*:1])\c1ccccc1
CC[C@@H]1COCCN1C(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H]1COCCN1C(=O)NCc1nccn1[*:1]
CC[C@@H]1COCCN1C(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1COCCN1C(=O)NCc1nccn1C[*:1]
O=C(CCNC(=O)c1ccco1)OC1CCCCCCC1 c1coc(c1)[*:1] O=C(CCNC(=O)[*:1])OC1CCCCCCC1
CS(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])cc2C#N)cc1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc(cc1)CCNc1ccc(cc1C#N)[*:1]
CS(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])cc2C#N)cc1 CS(=O)(=O)[*:1] N#Cc1cc(ccc1NCCc1ccc(cc1)[*:1])[N+](=O)[O-]
COC[C@H](C)N(C)CC[C@H]([NH3+])c1ccc(C)c(F)c1 COC[*:1] Cc1ccc(cc1F)[C@@H]([NH3+])CCN(C)[C@@H](C)[*:1]
COC[C@H](C)N(C)CC[C@H]([NH3+])c1ccc(C)c(F)c1 COC[C@H](C)[*:1] Cc1ccc(cc1F)[C@@H]([NH3+])CCN(C)[*:1]
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C(C)C COc1ccc(Cl)cc1[*:1] CC(C)n1c(nc2ccccc2c1=O)S[C@H](C)C(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C(C)C CC(C)[*:1] COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1[*:1]
CCN(CC)C(=O)C1(NCc2n[nH]c(=O)[nH]2)CCCCC1 O=c1[nH]nc(C[*:1])[nH]1 CCN(CC)C(=O)C1(CCCCC1)N[*:1]
CCN(CC)C(=O)C1(NCc2n[nH]c(=O)[nH]2)CCCCC1 O=c1[nH]nc([nH]1)[*:1] CCN(CC)C(=O)C1(CCCCC1)NC[*:1]
CCN(CC)C(=O)C1(NCc2n[nH]c(=O)[nH]2)CCCCC1 CCN(CC)C(=O)[*:1] O=c1[nH]nc(CNC2(CCCCC2)[*:1])[nH]1
NC(=O)C1(CNC(=O)NCc2ccccc2F)CCOCC1 Fc1ccccc1[*:1] NC(=O)C1(CCOCC1)CNC(=O)NC[*:1]
NC(=O)C1(CNC(=O)NCc2ccccc2F)CCOCC1 NC(=O)[*:1] O=C(NCc1ccccc1F)NCC1(CCOCC1)[*:1]
NC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1 NC(=O)C[*:1] O=S(=O)(NC[*:1])c1ccc(Cl)nc1
NC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1 NC(=O)[*:1] O=S(=O)(NCC[*:1])c1ccc(Cl)nc1
NC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1 NC(=O)CC[*:1] O=S(=O)(N[*:1])c1ccc(Cl)nc1
O=C1C[C@H](NS(=O)(=O)N2CCCC2)CN1Cc1ccccc1Cl Clc1ccccc1[*:1] O=C1C[C@@H](CN1C[*:1])NS(=O)(=O)N1CCCC1
Cc1nc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2cccc(C(C)C)c2)no1 Cc1nc(no1)[*:1] CC(C)c1cccc(c1)O[C@H](C)C(=O)N1CCC[C@H]1[*:1]
Cc1nc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2cccc(C(C)C)c2)no1 CC(C)[*:1] Cc1nc(no1)[C@@H]1CCCN1C(=O)[C@@H](C)Oc1cccc(c1)[*:1]
Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3n[nH]c(=O)[nH]3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1cccc(c1)NC(=O)[*:1])c1n[nH]c(=O)[nH]1
C[C@H](NC(=O)N(C)Cc1ccccc1Cl)c1nc(C(C)(C)C)no1 Clc1ccccc1C[*:1] C[C@H](NC(=O)N(C)[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)N(C)Cc1ccccc1Cl)c1nc(C(C)(C)C)no1 Clc1ccccc1[*:1] C[C@H](NC(=O)N(C)C[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)N(C)Cc1ccccc1Cl)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)N(C)Cc1ccccc1Cl)c1nc(no1)[*:1]
N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(N)=O Brc1ccc(cc1)C[*:1] N#C/C(=C\c1cn(c2ccccc12)[*:1])C(N)=O
N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(N)=O NC(=O)[*:1] N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)[*:1]
N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(N)=O Brc1ccc(cc1)[*:1] N#C/C(=C\c1cn(C[*:1])c2ccccc12)C(N)=O
N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(N)=O N#CC(=C[*:1])C(N)=O Brc1ccc(cc1)Cn1cc(c2ccccc21)[*:1]
Cc1cc(C(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)c(C)[nH]1 CC(C)C[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(C[*:1])C2=O)c(C)[nH]1
Cc1cc(C(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)c(C)[nH]1 CC(C)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(CC[*:1])C2=O)c(C)[nH]1
Cc1cc(C(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)c(C)[nH]1 CC(C)CC[*:1] Cc1cc(C(=O)CN2C(=O)N[C@](C)(C2=O)[*:1])c(C)[nH]1
Cc1cc(C(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)c(C)[nH]1 Cc1cc(c(C)[nH]1)[*:1] CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)[*:1])C1=O
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCc2ccnc(OC3CCCC3)c2)C1 C1CCC(C1)O[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCc1ccnc(c1)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCc2ccnc(OC3CCCC3)c2)C1 C1CCC(C1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCc1ccnc(c1)O[*:1]
O=S(=O)(/C=C/c1ccccc1)N[C@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])N[C@H]1CCCc2ccccc21
COC(=O)c1nn(C)c(C)c1NC(=O)c1cc(OC)c2ccoc2c1 COC(=O)[*:1] COc1cc(cc2occc12)C(=O)Nc1c(nn(C)c1C)[*:1]
O=C(NC1CC1)c1ccc(NC[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC1CC1)c1ccc(NC[C@H]2CCC[C@H](O)C2)c(c1)[*:1]
O=C(NC1CC1)c1ccc(NC[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 O=C(NC1CC1)[*:1] O=[N+]([O-])c1cc(ccc1NC[C@H]1CCC[C@H](O)C1)[*:1]
O=C(NC1CC1)c1ccc(NC[C@H]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 C1CC1[*:1] O=C(N[*:1])c1ccc(NC[C@H]2CCC[C@H](O)C2)c(c1)[N+](=O)[O-]
O=C(Nc1cccc2c1CCCC2)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1cccc2CCCCc21)c1ccc(Cl)c(c1)[*:1]
COc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc2nc(cc(=O)n2c1)COc1ccccc1NC(=O)N[*:1]
CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 CC(C)(C)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccccc1C(=O)N1CCCC1
CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] CC(C)(C)c1ccc(cc1)OCC(=O)Nc1ccccc1[*:1]
Nc1ccc(OC2COC2)nc1 C1OCC1[*:1] Nc1ccc(nc1)O[*:1]
Cc1c2cnn(CC(=O)N3CCCCCC3)c(=O)c2c(C)n1Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1c2cnn(CC(=O)N3CCCCCC3)c(=O)c2c(C)n1C[*:1]
Cc1c2cnn(CC(=O)N3CCCCCC3)c(=O)c2c(C)n1Cc1ccccc1Cl O=C(N1CCCCCC1)[*:1] Cc1c2cnn(C[*:1])c(=O)c2c(C)n1Cc1ccccc1Cl
Cc1c2cnn(CC(=O)N3CCCCCC3)c(=O)c2c(C)n1Cc1ccccc1Cl O=C(C[*:1])N1CCCCCC1 Cc1c2cnn(c(=O)c2c(C)n1Cc1ccccc1Cl)[*:1]
Cc1c2cnn(CC(=O)N3CCCCCC3)c(=O)c2c(C)n1Cc1ccccc1Cl Clc1ccccc1C[*:1] Cc1c2cnn(CC(=O)N3CCCCCC3)c(=O)c2c(C)n1[*:1]
COC(=O)N1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] COC(=O)N1CCC[C@@H](C1)NC(=O)N[C@@H](C)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C(C)C CC(C)[*:1] CCCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C(C)C CCC[*:1] CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCCCC(=O)N1CSC[C@H]1C(=O)N[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C(C)C CCCC[*:1] CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[*:1]
Cc1ccc(C2CC2)cc1Br C1CC1[*:1] Cc1ccc(cc1Br)[*:1]
O=C([O-])CCn1c(N2CC[NH2+]CC2)nc2ccccc2c1=O O=C([O-])[*:1] O=c1c2ccccc2nc(N2CC[NH2+]CC2)n1CC[*:1]
O=C([O-])CCn1c(N2CC[NH2+]CC2)nc2ccccc2c1=O O=C([O-])CC[*:1] O=c1c2ccccc2nc(N2CC[NH2+]CC2)n1[*:1]
O=C([O-])CCn1c(N2CC[NH2+]CC2)nc2ccccc2c1=O O=C([O-])C[*:1] O=c1c2ccccc2nc(N2CC[NH2+]CC2)n1C[*:1]
CCCNC(=O)CCC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 CCC[*:1] COc1ccc(OC)c2c1CN(C[C@H]2O)C(=O)CCC(=O)N[*:1]
CCCNC(=O)CCC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 CCCNC(=O)C[*:1] COc1ccc(OC)c2c1CN(C[C@H]2O)C(=O)C[*:1]
CCCNC(=O)CCC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 CCCNC(=O)[*:1] COc1ccc(OC)c2c1CN(C[C@H]2O)C(=O)CC[*:1]
CCCNC(=O)CCC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 CCCNC(=O)CC[*:1] COc1ccc(OC)c2c1CN(C[C@H]2O)C(=O)[*:1]
Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)o1 c1ccc(cc1)[*:1] Cc1onc(c1-c1nnc(COC(=O)c2sc3nc4CCCn4c(=O)c3c2C)o1)[*:1]
C=CCNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 C1CCN(CC1)[*:1] C=CCNc1nc(nc(n1)[*:1])N1CCCCC1
C=CCNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 C=CC[*:1] C1CCN(CC1)c1nc(nc(n1)N1CCCCC1)N[*:1]
C=CCNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 C=CCN[*:1] C1CCN(CC1)c1nc(nc(n1)[*:1])N1CCCCC1
O=C([O-])c1ccc2c(c1)C[NH+](Cc1ccccc1)CO2 c1ccc(cc1)[*:1] O=C([O-])c1ccc2OC[NH+](Cc2c1)C[*:1]
O=C([O-])c1ccc2c(c1)C[NH+](Cc1ccccc1)CO2 O=C([O-])[*:1] c1ccc(cc1)C[NH+]1COc2ccc(cc2C1)[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccccc1C(=S)N1CCOCC1 S=C(N1CCOCC1)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccccc1[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccccc1C(=S)N1CCOCC1 O=[N+]([O-])[*:1] O=S(=O)(Oc1ccccc1C(=S)N1CCOCC1)c1ccccc1[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccccc1C(=S)N1CCOCC1 O=[N+]([O-])c1ccccc1[*:1] O=S(=O)(Oc1ccccc1C(=S)N1CCOCC1)[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccc1[*:1]
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccc1-n1cccn1 c1coc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCCC1)[*:1])Nc1ccccc1-n1cccn1
Cc1ccc(-c2nc(CC(=O)Nc3ccnn3CC(C)C)cs2)cc1 Cc1ccc(cc1)[*:1] CC(C)Cn1nccc1NC(=O)Cc1csc(n1)[*:1]
Cc1ccc(-c2nc(CC(=O)Nc3ccnn3CC(C)C)cs2)cc1 CC(C)C[*:1] Cc1ccc(cc1)-c1nc(cs1)CC(=O)Nc1ccnn1[*:1]
Cc1ccc(-c2nc(CC(=O)Nc3ccnn3CC(C)C)cs2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1nc(cs1)CC(=O)Nc1ccnn1C[*:1]
O=C(/N=C/c1ccc(F)cc1)OC1CCCCC1 C1CCC(CC1)[*:1] O=C(/N=C/c1ccc(F)cc1)O[*:1]
C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 C(=C[*:1])c1ccco1 C[C@@H](OC(=O)[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 c1coc(c1)[*:1] C[C@@H](OC(=O)C=C[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
N#Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)C[NH+]1CCC(CC1)C(=O)N1CCN(CC1)C(c1ccccc1)[*:1]
N#Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(C1CC[NH+](CC1)C[*:1])N1CCN(CC1)C(c1ccccc1)c1ccccc1
N#CCN(CC#N)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 N#CC[*:1] N#CCN(C(=O)/C=C/c1ccc(Cl)c(Cl)c1)[*:1]
CCOc1cc(C)ccc1NC(=O)CCc1nc(-c2ccsc2)no1 c1cc(cs1)[*:1] CCOc1cc(C)ccc1NC(=O)CCc1nc(no1)[*:1]
CCOc1cc(C)ccc1NC(=O)CCc1nc(-c2ccsc2)no1 CCO[*:1] Cc1ccc(NC(=O)CCc2nc(no2)-c2ccsc2)c(c1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 Clc1ccccc1C[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccc(cc1)N(S(C)(=O)=O)[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 CC(=O)Nc1ccc(cc1)[*:1] CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(cc1)C(=O)N[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 CC(=O)N[*:1] CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 Clc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccc(cc1)N(C[*:1])S(C)(=O)=O
CCSc1ccc(Cl)cc1C(=O)NCc1ccc([N+](=O)[O-])cc1 CCS[*:1] O=C(NCc1ccc(cc1)[N+](=O)[O-])c1cc(Cl)ccc1[*:1]
CCSc1ccc(Cl)cc1C(=O)NCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCSc1ccc(Cl)cc1C(=O)NCc1ccc(cc1)[*:1]
C=CCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 C=CCNC(=O)[*:1] COc1ccc(cc1)-c1cc(c2ccccc2n1)[*:1]
C=CCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 COc1ccc(cc1)[*:1] C=CCNC(=O)c1cc(nc2ccccc12)[*:1]
C=CCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 C=CC[*:1] COc1ccc(cc1)-c1cc(C(=O)N[*:1])c2ccccc2n1
CC1CCC(NC(=O)Nc2ccc(C(N)=O)cc2)CC1 NC(=O)[*:1] CC1CCC(CC1)NC(=O)Nc1ccc(cc1)[*:1]
Cc1nc(C(=O)Oc2cccc(NC(=O)C3CC3)c2)nn1-c1ccccc1Cl O=C(N[*:1])C1CC1 Cc1nc(nn1-c1ccccc1Cl)C(=O)Oc1cccc(c1)[*:1]
Cc1nc(C(=O)Oc2cccc(NC(=O)C3CC3)c2)nn1-c1ccccc1Cl C1CC1[*:1] Cc1nc(nn1-c1ccccc1Cl)C(=O)Oc1cccc(c1)NC(=O)[*:1]
Cc1nc(C(=O)Oc2cccc(NC(=O)C3CC3)c2)nn1-c1ccccc1Cl Clc1ccccc1[*:1] Cc1nc(nn1[*:1])C(=O)Oc1cccc(c1)NC(=O)C1CC1
CCc1nc(CS(=O)(=O)CC(=O)Nc2ccc(C(C)C)cc2)no1 CCc1nc(C[*:1])no1 CC(C)c1ccc(cc1)NC(=O)CS(=O)(=O)[*:1]
CCc1nc(CS(=O)(=O)CC(=O)Nc2ccc(C(C)C)cc2)no1 CCc1nc(no1)[*:1] CC(C)c1ccc(cc1)NC(=O)CS(=O)(=O)C[*:1]
CCc1nc(CS(=O)(=O)CC(=O)Nc2ccc(C(C)C)cc2)no1 CC(C)[*:1] CCc1nc(CS(=O)(=O)CC(=O)Nc2ccc(cc2)[*:1])no1
C[C@H](CNC(=O)N[C@H](C)c1nccs1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](NC(=O)NC[C@@H](C)[*:1])c1nccs1
C[C@H](CNC(=O)N[C@H](C)c1nccs1)Oc1ccccc1 c1csc(n1)[*:1] C[C@H](CNC(=O)N[C@H](C)[*:1])Oc1ccccc1
C[C@H](CNC(=O)N[C@H](C)c1nccs1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)N[C@H](C)c1nccs1)O[*:1]
C[C@H](CNC(=O)N[C@H](C)c1nccs1)Oc1ccccc1 C[C@H](c1nccs1)[*:1] C[C@H](CNC(=O)N[*:1])Oc1ccccc1
Cc1ccccc1[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 Cc1ccccc1[*:1] C[C@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)[*:1]
CC[NH2+][C@@H](Cc1cc(F)ccc1F)[C@H](C)OC CO[C@@H](C)[*:1] CC[NH2+][C@@H](Cc1cc(F)ccc1F)[*:1]
Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 c1ccc(nc1)[*:1] Cc1nc(ccc1C(=O)N1CCC[C@H](C1)C(=O)N[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 c1ccc(cc1)[*:1] Cc1nc(ccc1C(=O)N1CCC[C@H](C1)C(=O)Nc1ccccn1)[*:1]
Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 O=C(Nc1ccccn1)[*:1] Cc1nc(ccc1C(=O)N1CCC[C@@H](C1)[*:1])-c1ccccc1
CC[C@H](C)n1nccc1NC(=O)C[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](C)n1nccc1NC(=O)C[C@H](O)[*:1]
CC[C@H](C)n1nccc1NC(=O)C[C@H](O)c1ccc(Cl)cc1 CC[C@H](C)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1ccnn1[*:1]
O=C(NCn1nnc2ccccc21)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCn1nnc2ccccc21)OC[*:1]
O=C(NCn1nnc2ccccc21)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCn1nnc2ccccc21)O[*:1]
Cc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)o1 Cc1nnc(o1)SC[*:1] O=C(c1ccc(cc1)Oc1ccccc1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)o1 Cc1nnc(o1)S[*:1] O=C(c1ccc(cc1)Oc1ccccc1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)o1 c1ccc(cc1)[*:1] Cc1nnc(o1)SCC(=O)N1CCC[C@H](C1)C(=O)c1ccc(cc1)O[*:1]
Cc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)o1 c1ccc(cc1)O[*:1] Cc1nnc(o1)SCC(=O)N1CCC[C@H](C1)C(=O)c1ccc(cc1)[*:1]
Cc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)o1 Cc1nnc(o1)[*:1] O=C(c1ccc(cc1)Oc1ccccc1)[C@@H]1CCCN(C1)C(=O)CS[*:1]
CC[C@H](NC(=O)Cn1c(=S)[nH]c2ccccc2c1=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)Cn1c(=S)[nH]c2ccccc2c1=O)[*:1]
O=C(Nc1cc(N2CCCC2=O)ccc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 O=C1CCCN1[*:1] O=C(Nc1cc(ccc1Cl)[*:1])N1CC[C@H](C1)[NH+]1CCCC1
Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)C(=O)NNS(=O)(=O)c1ccccc1[*:1]
Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2C(F)(F)F)o1 Cc1ccc(o1)[*:1] O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)[*:1]
CCCCCn1c(=O)[nH]c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O CCCC[*:1] Cc1cc(C)cc(c1)NC(=O)c1ccc2c(=O)n(C[*:1])c(=O)[nH]c2c1
CCCCCn1c(=O)[nH]c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O CCC[*:1] Cc1cc(C)cc(c1)NC(=O)c1ccc2c(=O)n(CC[*:1])c(=O)[nH]c2c1
CCCCCn1c(=O)[nH]c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O CCCCC[*:1] Cc1cc(C)cc(c1)NC(=O)c1ccc2c(=O)n(c(=O)[nH]c2c1)[*:1]
CCCCCn1c(=O)[nH]c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O Cc1cc(C)cc(c1)[*:1] CCCCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N[*:1]
Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)N(Cc1ccc(Cl)cc1)C1CC1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)o1 C1CC1[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N(Cc1ccc(Cl)cc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)o1 Clc1ccc(cc1)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N(C[*:1])C1CC1
COc1ccccc1NC(=O)c1cnc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)nc1C COc1ccccc1[*:1] Cc1nc(ncc1C(=O)N[*:1])[C@@H]1CCN(C1)S(=O)(=O)N(C)C
COCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)N(C)C COC[*:1] CN(C)C(=O)N(CC[*:1])CC(=O)N1CCc2sccc2[C@H]1c1ccccc1
COCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)N(C)C COCCC[*:1] CN(C)C(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)[*:1]
COCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)N(C)C c1ccc(cc1)[*:1] COCCCN(CC(=O)N1CCc2sccc2[C@@H]1[*:1])C(=O)N(C)C
COCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)N(C)C COCC[*:1] CN(C)C(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C[*:1]
CCCCCOc1ccccc1-n1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 CCC[*:1] Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OCC[*:1]
CCCCCOc1ccccc1-n1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 CCCCC[*:1] Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1O[*:1]
CCCCCOc1ccccc1-n1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 CCCCCO[*:1] Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1[*:1]
CCCCCOc1ccccc1-n1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 CCCC[*:1] Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OC[*:1]
Cc1ccc(C)c(S(=O)(=O)[N-]c2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c1 C1CN(CCO1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)[N-]c1nc(C[*:1])nc2sc3CCCCc3c12
Cc1ccc(C)c(S(=O)(=O)[N-]c2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c1 C1CN(CCO1)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)[N-]c1nc(nc2sc3CCCCc3c12)[*:1]
Cc1ccc(C)c(S(=O)(=O)[N-]c2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c1 Cc1ccc(C)c(c1)[*:1] O=S(=O)([N-]c1nc(CN2CCOCC2)nc2sc3CCCCc3c12)[*:1]
Cc1ccc(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cn1 Cc1ccc(cn1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCOCC1
Cc1ccc(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cn1 CC(C)[*:1] Cc1ccc(cn1)C(=O)N[C@H](C(=O)N1CCOCC1)[*:1]
COc1ccccc1Cn1c(C(=O)NCC2CC2)cc2sccc21 O=C(NCC1CC1)[*:1] COc1ccccc1Cn1c(cc2sccc21)[*:1]
COc1ccccc1Cn1c(C(=O)NCC2CC2)cc2sccc21 C1CC1C[*:1] COc1ccccc1Cn1c(cc2sccc21)C(=O)N[*:1]
COc1ccccc1Cn1c(C(=O)NCC2CC2)cc2sccc21 C1CC1[*:1] COc1ccccc1Cn1c(cc2sccc21)C(=O)NC[*:1]
COc1ccccc1Cn1c(C(=O)NCC2CC2)cc2sccc21 COc1ccccc1[*:1] O=C(NCC1CC1)c1cc2sccc2n1C[*:1]
COc1ccc(C)cc1-n1ccc(C(=O)N[C@H](c2cccnc2)c2ccc(F)c(F)c2)n1 Fc1ccc(cc1F)[*:1] COc1ccc(C)cc1-n1ccc(n1)C(=O)N[C@H](c1cccnc1)[*:1]
COc1ccc(C)cc1-n1ccc(C(=O)N[C@H](c2cccnc2)c2ccc(F)c(F)c2)n1 COc1ccc(C)cc1[*:1] O=C(N[C@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccn(n1)[*:1]
COc1ccc(C)cc1-n1ccc(C(=O)N[C@H](c2cccnc2)c2ccc(F)c(F)c2)n1 c1cncc(c1)[*:1] COc1ccc(C)cc1-n1ccc(n1)C(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
CSc1nc(C2CC2)cc(C(=O)NCc2cccnc2)c1C#N c1cncc(c1)[*:1] CSc1nc(cc(C(=O)NC[*:1])c1C#N)C1CC1
CSc1nc(C2CC2)cc(C(=O)NCc2cccnc2)c1C#N c1cncc(c1)C[*:1] CSc1nc(cc(C(=O)N[*:1])c1C#N)C1CC1
CSc1nc(C2CC2)cc(C(=O)NCc2cccnc2)c1C#N C1CC1[*:1] CSc1nc(cc(C(=O)NCc2cccnc2)c1C#N)[*:1]
Cn1cc(CCC(=O)N2CCOC[C@@H]2C2CC2)cn1 C1CC1[*:1] Cn1cc(cn1)CCC(=O)N1CCOC[C@H]1[*:1]
Cn1cc(CCC(=O)N2CCOC[C@@H]2C2CC2)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])N1CCOC[C@@H]1C1CC1
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1OCC CCO[*:1] C#CCOc1ccc(cc1[*:1])[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1OCC C#CC[*:1] CCOc1cc(ccc1O[*:1])[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1OCC Cc1ccc2nc(sc2c1)[*:1] C#CCOc1ccc(cc1OCC)[C@@H]1CC(=O)Nc2c1c(C)nn2[*:1]
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1OCC C#CCO[*:1] CCOc1cc(ccc1[*:1])[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1
Cc1oc(S(N)(=O)=O)cc1C(=O)Nc1cccc2c1CCCC2 NS(=O)(=O)[*:1] Cc1oc(cc1C(=O)Nc1cccc2CCCCc21)[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1C Cc1ccc(cc1C)[*:1] Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1C Cc1n[nH]c(C)c1[*:1] Cc1ccc(cc1C)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COC(=O)c1occc1/C=C/C(=O)c1c(C#N)c2n(c1C)CCC2 COC(=O)[*:1] Cc1c(C(=O)/C=C/c2ccoc2[*:1])c(C#N)c2CCCn12
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccnc2)C2=C(CCCC2=O)N1 c1cncc(c1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)Nc1ccccc1F)[*:1]
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccnc2)C2=C(CCCC2=O)N1 Fc1ccccc1[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)N[*:1])c1cccnc1
C[C@@H](c1cccc(F)c1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 FC(F)(F)[*:1] C[C@@H](c1cccc(F)c1)N1CCN(CC1)c1ccc(nn1)[*:1]
C[C@@H](c1cccc(F)c1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 Fc1cccc(c1)[*:1] C[C@@H](N1CCN(CC1)c1ccc(nn1)C(F)(F)F)[*:1]
CCc1nc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2N(C)C)cs1 CN(C)[*:1] CCc1nc(cs1)[C@@H](C)NC(=O)Nc1cc(Cl)ccc1[*:1]
CCc1nc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2N(C)C)cs1 CCc1nc(cs1)[*:1] C[C@@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)[*:1]
Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NC[C@H]1CC=CCC1 O=C(N1CCCC1)[*:1] Cc1cccc(c1NC(=O)NC[C@H]1CC=CCC1)[*:1]
COc1cccc(C(=O)N(C)CC(F)(F)F)c1F FC(F)(F)[*:1] COc1cccc(C(=O)N(C)C[*:1])c1F
COc1cccc(C(=O)N(C)CC(F)(F)F)c1F FC(F)(F)C[*:1] COc1cccc(C(=O)N(C)[*:1])c1F
CC/C(Nc1ccc(C(=O)[O-])cc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O Cc1ccc(cc1)[*:1] CC/C(Nc1ccc(cc1)C(=O)[O-])=C1/C(=O)NC(=O)N(C1=O)[*:1]
CC/C(Nc1ccc(C(=O)[O-])cc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O O=C([O-])[*:1] CC/C(Nc1ccc(cc1)[*:1])=C1/C(=O)NC(=O)N(C1=O)c1ccc(C)cc1
CC/C(Nc1ccc(C(=O)[O-])cc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O O=C([O-])c1ccc(cc1)[*:1] CC/C(N[*:1])=C1/C(=O)NC(=O)N(C1=O)c1ccc(C)cc1
N#C[C@@H](COC(=O)Cn1nnc2ccccc2c1=O)Cc1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H](COC(=O)Cn1nnc2ccccc2c1=O)C[*:1]
N#C[C@@H](COC(=O)Cn1nnc2ccccc2c1=O)Cc1ccccc1 c1ccc(cc1)C[*:1] N#C[C@@H](COC(=O)Cn1nnc2ccccc2c1=O)[*:1]
Cc1sc(/C=C2\NC(=O)CS2)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(/C=C2\NC(=O)CS2)nc1[*:1]
COc1cccc([C@H]2CCCCN2C(=O)CCc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] COc1cccc(c1)[C@H]1CCCCN1C(=O)CC[*:1]
COc1cccc([C@H]2CCCCN2C(=O)CCc2cnn(C)c2)c1 Cn1cc(cn1)C[*:1] COc1cccc(c1)[C@H]1CCCCN1C(=O)C[*:1]
COc1cccc([C@H]2CCCCN2C(=O)CCc2cnn(C)c2)c1 COc1cccc(c1)[*:1] Cn1cc(cn1)CCC(=O)N1CCCC[C@@H]1[*:1]
COc1cccc([C@H]2CCCCN2C(=O)CCc2cnn(C)c2)c1 Cn1cc(cn1)CC[*:1] COc1cccc(c1)[C@H]1CCCCN1C(=O)[*:1]
CC(C)CN(CC(=O)[O-])C(=O)C[C@H]1C[NH2+]CCO1 CC(C)[*:1] O=C([O-])CN(C[*:1])C(=O)C[C@H]1C[NH2+]CCO1
CC(C)CN(CC(=O)[O-])C(=O)C[C@H]1C[NH2+]CCO1 O=C([O-])C[*:1] CC(C)CN(C(=O)C[C@H]1C[NH2+]CCO1)[*:1]
CC(C)CN(CC(=O)[O-])C(=O)C[C@H]1C[NH2+]CCO1 O=C([O-])[*:1] CC(C)CN(C[*:1])C(=O)C[C@H]1C[NH2+]CCO1
CC(C)CN(CC(=O)[O-])C(=O)C[C@H]1C[NH2+]CCO1 CC(C)C[*:1] O=C([O-])CN(C(=O)C[C@H]1C[NH2+]CCO1)[*:1]
C[NH2+][C@@H](c1ccc(OC(F)F)cc1)c1ccc(Br)o1 FC(F)O[*:1] C[NH2+][C@@H](c1ccc(cc1)[*:1])c1ccc(Br)o1
C[NH2+][C@@H](c1ccc(OC(F)F)cc1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] C[NH2+][C@@H](c1ccc(cc1)OC(F)F)[*:1]
C[NH2+][C@@H](c1ccc(OC(F)F)cc1)c1ccc(Br)o1 FC(F)[*:1] C[NH2+][C@@H](c1ccc(cc1)O[*:1])c1ccc(Br)o1
Cn1ncc2c(C(=O)Nc3cccnc3Cl)cc(-c3ccccc3)nc21 Clc1ncccc1[*:1] Cn1ncc2c(cc(nc21)-c1ccccc1)C(=O)N[*:1]
Cn1ncc2c(C(=O)Nc3cccnc3Cl)cc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] Cn1ncc2c(cc(nc21)[*:1])C(=O)Nc1cccnc1Cl
C[C@H]1CN(C[C@@H]2CN(C(=O)Cc3ccsc3)C[C@@H]2CO)C[C@@H](C)O1 c1cc(cs1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C[C@@H]1CN(C[C@@H]1CO)C(=O)C[*:1]
C[C@H]1CN(C[C@@H]2CN(C(=O)Cc3ccsc3)C[C@@H]2CO)C[C@@H](C)O1 c1cc(cs1)C[*:1] C[C@H]1CN(C[C@@H](C)O1)C[C@@H]1CN(C[C@@H]1CO)C(=O)[*:1]
C[C@H]1CN(C[C@@H]2CN(C(=O)Cc3ccsc3)C[C@@H]2CO)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)[*:1] O=C(Cc1ccsc1)N1C[C@H](CO)[C@@H](C1)C[*:1]
NS(=O)(=O)c1cccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 c1ccc(cc1)C[*:1] NS(=O)(=O)c1cccc(c1)NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
NS(=O)(=O)c1cccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 c1ccc(cc1)[*:1] NS(=O)(=O)c1cccc(c1)NC(=O)c1nn(C[*:1])c(=O)c2ccccc12
NS(=O)(=O)c1cccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 NS(=O)(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
NS(=O)(=O)c1cccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 NS(=O)(=O)c1cccc(c1)[*:1] O=C(N[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
CCc1ncc2c(n1)CN(C(=O)CCNC(=O)c1ccc(C)cc1)C2 Cc1ccc(cc1)[*:1] CCc1ncc2CN(Cc2n1)C(=O)CCNC(=O)[*:1]
COC(=O)[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 COC(=O)[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)N[C@@H](c1ccccc1)[*:1]
COC(=O)[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 O=C1CCCN1[*:1] COC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1ccccc1
COC(=O)[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCc2ccccc21 O=S(=O)(N1CCCC1)[*:1] O=C(CCn1c(=O)oc2cc(ccc21)[*:1])N1CCc2ccccc21
CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCCCc1cccc(Br)c1 Brc1cccc(c1)[*:1] CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCCC[*:1]
CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCCCc1cccc(Br)c1 CC(C)(C)[*:1] O=C(NCCCc1cccc(Br)c1)[C@H]1CSCN1C(=O)[*:1]
CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCCCc1cccc(Br)c1 Brc1cccc(c1)C[*:1] CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCC[*:1]
CCC(CC)c1cc(C(=O)Nc2nccn(C)c2=O)on1 CCC(CC)[*:1] Cn1ccnc(NC(=O)c2cc(no2)[*:1])c1=O
O=C(NOCc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 c1ccc(cc1)C[*:1] O=C(NO[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1F
O=C(NOCc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 c1ccc(cc1)[*:1] O=C(NOC[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1F
O=C(NOCc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 Fc1ccccc1[*:1] O=C(NOCc1ccccc1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1c([C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1
Cc1c([C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cnn1-c1ccccn1 c1ccc(cc1)[*:1] Cc1c(cnn1-c1ccccn1)[C@H](C)NC(=O)C(c1ccccc1)[*:1]
CC(C)c1nc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c[nH]1 CC(C)[*:1] C[NH+](C)[C@@H](CNS(=O)(=O)c1c[nH]c(n1)[*:1])c1ccccc1
CC(C)c1nc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c[nH]1 c1ccc(cc1)[*:1] CC(C)c1nc(c[nH]1)S(=O)(=O)NC[C@@H]([NH+](C)C)[*:1]
Cn1c(=O)c2c(ncn2CCCC(=O)Nc2cccc(I)c2)n(C)c1=O Ic1cccc(c1)[*:1] Cn1c(=O)c2c(ncn2CCCC(=O)N[*:1])n(C)c1=O
C[C@]1(C(=O)N2CCC(CC(=O)[O-])CC2)CCC[NH2+]1 O=C([O-])C[*:1] C[C@@]1(CCC[NH2+]1)C(=O)N1CCC(CC1)[*:1]
C[C@]1(C(=O)N2CCC(CC(=O)[O-])CC2)CCC[NH2+]1 O=C([O-])[*:1] C[C@@]1(CCC[NH2+]1)C(=O)N1CCC(CC1)C[*:1]
Cc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c(=O)[nH]1 N#Cc1cccnc1[*:1] Cc1ccc(C(=O)N2CCN(CC2)[*:1])c(=O)[nH]1
Cc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c(=O)[nH]1 Cc1ccc(c(=O)[nH]1)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2OC(F)F)C1 FC(F)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCc1ccccc1O[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2OC(F)F)C1 FC(F)O[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCc1ccccc1[*:1]
CCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3ccc[nH]3)CC2=O)cc1 c1c[nH]c(c1)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCC[C@H]1[*:1]
CCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3ccc[nH]3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC[C@@H]1c1ccc[nH]1
Cc1ccc(NC(=O)CCn2cncn2)nc1 c1ncn(n1)[*:1] Cc1ccc(nc1)NC(=O)CC[*:1]
COCCN(CC(F)(F)F)C(=O)CN1C(=O)CSc2ccccc21 COC[*:1] O=C(CN1C(=O)CSc2ccccc21)N(CC(F)(F)F)C[*:1]
COCCN(CC(F)(F)F)C(=O)CN1C(=O)CSc2ccccc21 FC(F)(F)C[*:1] COCCN(C(=O)CN1C(=O)CSc2ccccc21)[*:1]
COCCN(CC(F)(F)F)C(=O)CN1C(=O)CSc2ccccc21 COCC[*:1] O=C1CSc2ccccc2N1CC(=O)N(CC(F)(F)F)[*:1]
COCCN(CC(F)(F)F)C(=O)CN1C(=O)CSc2ccccc21 FC(F)(F)[*:1] COCCN(C[*:1])C(=O)CN1C(=O)CSc2ccccc21
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)N[C@@H]1CCc2ccccc21 C[S@@](=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)N[C@@H]1CCc2ccccc21
NC1=NC(=O)N(CC2CC2)[C@@]12CCC[NH2+]C2 C1CC1[*:1] NC1=NC(=O)N(C[*:1])[C@@]12CCC[NH2+]C2
NC1=NC(=O)N(CC2CC2)[C@@]12CCC[NH2+]C2 C1CC1C[*:1] NC1=NC(=O)N([C@@]12CCC[NH2+]C2)[*:1]
CCCCN(C(=O)[C@@H]1COCCO1)[C@@H](C)c1ccccc1 CCC[*:1] C[C@@H](c1ccccc1)N(C[*:1])C(=O)[C@@H]1COCCO1
CCCCN(C(=O)[C@@H]1COCCO1)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCCCN(C(=O)[C@@H]1COCCO1)[C@@H](C)[*:1]
CCCCN(C(=O)[C@@H]1COCCO1)[C@@H](C)c1ccccc1 CCCC[*:1] C[C@@H](c1ccccc1)N(C(=O)[C@@H]1COCCO1)[*:1]
O=C(Nc1ccc(CN2CCOCC2)cc1)[C@@H]1C=C(C2CC2)N=N1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@@H]1C=C(N=N1)C1CC1
O=C(Nc1ccc(CN2CCOCC2)cc1)[C@@H]1C=C(C2CC2)N=N1 C1CC1[*:1] O=C(Nc1ccc(cc1)CN1CCOCC1)[C@@H]1C=C(N=N1)[*:1]
O=C(Nc1ccc(CN2CCOCC2)cc1)[C@@H]1C=C(C2CC2)N=N1 C1CN(CCO1)C[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1C=C(N=N1)C1CC1
CCc1nn(C)cc1NC(=O)C(=O)NCc1c(CC)nn(C)c1CC CCc1nn(C)cc1[*:1] CCc1nn(C)c(CC)c1CNC(=O)C(=O)N[*:1]
CC(C)[C@@H](C)[S@](=O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 CC(C)[*:1] C[C@H](NC(=O)C[S@@](=O)[C@H](C)[*:1])c1ccc(Cl)cc1
CC(C)[C@@H](C)[S@](=O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 CC(C)[C@@H](C)[*:1] C[C@H](NC(=O)C[S@@](=O)[*:1])c1ccc(Cl)cc1
CCN(C)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 CCN(C)C(=O)[*:1] COc1cc(cc(OC)c1OCc1ccccc1)[*:1]
CCN(C)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 c1ccc(cc1)CO[*:1] CCN(C)C(=O)c1cc(OC)c(c(c1)OC)[*:1]
CCN(C)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] CCN(C)C(=O)c1cc(OC)c(OC[*:1])c(c1)OC
CCN(C)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 c1ccc(cc1)C[*:1] CCN(C)C(=O)c1cc(OC)c(O[*:1])c(c1)OC
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)Nc2ccccc2Cl)C1 Clc1ccccc1[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)NC(=O)N[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)Nc2ccccc2Cl)C1 CC(C)(C)[*:1] O=C(Nc1ccccc1Cl)N[C@H]1CCCN(C1)C(=O)O[*:1]
C=C(C)Cn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O c1ccc(cc1)[*:1] C=C(C)Cn1c(=O)c2c(nc3oc(cn32)[*:1])n(C)c1=O
C=C(C)Cn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O C=C(C)C[*:1] Cn1c(=O)n(c(=O)c2c1nc1oc(cn12)-c1ccccc1)[*:1]
C=C(C)Cn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O C=C(C)[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc1oc(cn12)-c1ccccc1
C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)O[*:1] C[C@H](C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[*:1]
C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1CC(=O)N(C1)[*:1]
C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1
C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1CC(=O)N(C1)C[*:1]
CC(C)C[C@H](C[NH+](C)C)NCc1cccc(O)c1 CC(C)C[*:1] C[NH+](C)C[C@H](NCc1cccc(O)c1)[*:1]
CC(C)C[C@H](C[NH+](C)C)NCc1cccc(O)c1 CC(C)[*:1] C[NH+](C)C[C@@H](C[*:1])NCc1cccc(O)c1
COCCC1(CNC(=O)NCC2CCC2)CCC1 C1CC(C1)C[*:1] COCCC1(CCC1)CNC(=O)N[*:1]
COCCC1(CNC(=O)NCC2CCC2)CCC1 COC[*:1] O=C(NCC1CCC1)NCC1(CCC1)C[*:1]
COCCC1(CNC(=O)NCC2CCC2)CCC1 C1CC(C1)[*:1] COCCC1(CCC1)CNC(=O)NC[*:1]
COCCC1(CNC(=O)NCC2CCC2)CCC1 COCC[*:1] O=C(NCC1CCC1)NCC1(CCC1)[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CC(C)C)c(OC)c1 Cc1ccc(cc1)C(=O)[*:1] COc1ccc(c(c1)OC)[C@H]1C(=C([O-])C(=O)N1CC(C)C)[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CC(C)C)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC(C)C)[C@H]1[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CC(C)C)c(OC)c1 CC(C)[*:1] COc1ccc(c(c1)OC)[C@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1C[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CC(C)C)c(OC)c1 CC(C)C[*:1] COc1ccc(c(c1)OC)[C@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CC(C)C)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CC(C)C
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@H]1CCCOc2c1ccc1ccccc21 O=C([O-])[*:1] O=C(N[C@H]1CCCOc2c1ccc1ccccc21)[C@@H]1CC=CC[C@@H]1[*:1]
C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(cc1)[*:1]
O=S(=O)(c1ccc(SCc2ccc(F)cc2Cl)nc1)N1CCOCC1 Fc1ccc(c(Cl)c1)[*:1] O=S(=O)(c1ccc(nc1)SC[*:1])N1CCOCC1
Cc1cc(C)cc(C[S@](=O)[C@H](C)C(=O)NCc2cccs2)c1 c1csc(c1)C[*:1] Cc1cc(C)cc(c1)C[S@](=O)[C@H](C)C(=O)N[*:1]
Cc1cc(C)cc(C[S@](=O)[C@H](C)C(=O)NCc2cccs2)c1 c1csc(c1)[*:1] Cc1cc(C)cc(c1)C[S@](=O)[C@H](C)C(=O)NC[*:1]
O=C(Nc1cccn(Cc2ccccc2)c1=O)N[C@@H]1CCCNC1=O c1ccc(cc1)[*:1] O=C(Nc1cccn(C[*:1])c1=O)N[C@@H]1CCCNC1=O
O=C(Nc1cccn(Cc2ccccc2)c1=O)N[C@@H]1CCCNC1=O c1ccc(cc1)C[*:1] O=C(Nc1cccn(c1=O)[*:1])N[C@@H]1CCCNC1=O
COc1ccccc1CNC(=O)CCC(=O)n1ncc2ccc(Cl)cc21 COc1ccccc1[*:1] O=C(CCC(=O)n1ncc2ccc(Cl)cc21)NC[*:1]
CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1O CCOC(=O)[*:1] COc1ccc(cc1OC)-c1nc(O)c(s1)[*:1]
CCCn1cncc1C[NH2+][C@@H](CO)C(C)C CCC[*:1] CC(C)[C@H](CO)[NH2+]Cc1cncn1[*:1]
CCCn1cncc1C[NH2+][C@@H](CO)C(C)C CC(C)[*:1] CCCn1cncc1C[NH2+][C@@H](CO)[*:1]
Cn1nnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 Cn1nnnc1S[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCC1
Cn1nnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 Cn1nnnc1[*:1] O=C(CS[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCC1
Cn1nnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] Cn1nnnc1SCC(=O)Nc1cccc(c1)[*:1]
Cn1nnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 Cn1nnnc1SC[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCC1)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 N#CCC[*:1] O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N(CCC(F)(F)F)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 FC(F)(F)CC[*:1] N#CCCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 FC(F)(F)[*:1] N#CCCN(CC[*:1])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1
N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 FC(F)(F)C[*:1] N#CCCN(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1
N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 N#CC[*:1] O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N(CCC(F)(F)F)C[*:1]
N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#CCCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1[*:1]
COCCN(C)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 COCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)N(C)[*:1]
COCCN(C)C(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 COC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)N(C)C[*:1]
COc1ccc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)cc1C c1ccc(cc1)[*:1] COc1ccc(/C=N\n2c(n[nH]c2=S)[*:1])cc1C
O=C(NCCC(=O)N1CCCC1)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(NCCC(=O)N1CCCC1)N[C@H]1CCCC[C@@H]1[*:1]
O=C(NCCC(=O)N1CCCC1)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(NCCC(=O)N1CCCC1)N[C@H]1CCCC[C@H]1O[*:1]
O=C(NCCC(=O)N1CCCC1)N[C@H]1CCCC[C@H]1OC1CCCC1 O=C(C[*:1])N1CCCC1 O=C(NC[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
O=C(NCCC(=O)N1CCCC1)N[C@H]1CCCC[C@H]1OC1CCCC1 O=C(N1CCCC1)[*:1] O=C(NCC[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
CSc1ccc(O[C@@H](C)/C([O-])=C(\C#N)C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] CSc1ccc(cc1)O[C@@H](C)C([O-])=C(C#N)[*:1]
COc1ccccc1[C@@]1(Cc2sccc2C)NC(N)=NC1=O Cc1ccsc1[*:1] COc1ccccc1[C@@]1(C[*:1])NC(N)=NC1=O
COc1ccccc1[C@@]1(Cc2sccc2C)NC(N)=NC1=O Cc1ccsc1C[*:1] COc1ccccc1[C@]1(NC(N)=NC1=O)[*:1]
CCCCn1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 CCCC[*:1] O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])-c1nc2nc3ccccc3nc2n1[*:1]
CCCCn1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 O=[N+]([O-])[*:1] CCCCn1c(nc2nc3ccccc3nc21)-c1cc(cc(c1)[*:1])[N+](=O)[O-]
CCCCn1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 CCC[*:1] O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])-c1nc2nc3ccccc3nc2n1C[*:1]
O=C(c1cc(S(=O)(=O)[N-]c2c(F)cccc2F)c[nH]1)N1CCCC1 Fc1cccc(F)c1[*:1] O=C(c1cc(c[nH]1)S(=O)(=O)[N-][*:1])N1CCCC1
O=C(c1cc(S(=O)(=O)[N-]c2c(F)cccc2F)c[nH]1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)([N-]c1c(F)cccc1F)c1c[nH]c(c1)[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 CCCC[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 CCC[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 CC(C)O[*:1] CCCCNC(=O)[C@@H]1CCCN(C1)C(=O)Nc1cc(C#N)ccc1[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 CC(C)[*:1] CCCCNC(=O)[C@@H]1CCCN(C1)C(=O)Nc1cc(C#N)ccc1O[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 CCCCNC(=O)[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C1)[*:1]
O=C(CCNC(=O)c1cc2c(s1)SCC2)NCc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(CCNC(=O)c1cc2CCSc2s1)N[*:1]
O=C(CCNC(=O)c1cc2c(s1)SCC2)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCNC(=O)c1cc2CCSc2s1)NC[*:1]
C/C(=N\Nc1ccccn1)c1ccc(C(C)(C)C)cc1 c1ccc(nc1)[*:1] C/C(=N\N[*:1])c1ccc(cc1)C(C)(C)C
C/C(=N\Nc1ccccn1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C/C(=N\Nc1ccccn1)c1ccc(cc1)[*:1]
O=C(Nc1ccc2[nH]ncc2c1)C(=O)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2[nH]ncc2c1)C(=O)N[C@H](CO)[*:1]
CC(=O)N1CCc2cc(C(=O)O[C@H](c3ccccc3)c3ccncc3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)O[C@H](c1ccncc1)[*:1]
CC(=O)N1CCc2cc(C(=O)O[C@H](c3ccccc3)c3ccncc3)ccc21 c1cc(ccn1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)O[C@H](c1ccccc1)[*:1]
Cc1nnnn1-c1ccc(C(=O)NCCc2cccc(F)c2)cc1 Fc1cccc(c1)C[*:1] Cc1nnnn1-c1ccc(cc1)C(=O)NC[*:1]
Cc1nnnn1-c1ccc(C(=O)NCCc2cccc(F)c2)cc1 Cc1nnnn1[*:1] O=C(NCCc1cccc(F)c1)c1ccc(cc1)[*:1]
Cc1nnnn1-c1ccc(C(=O)NCCc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] Cc1nnnn1-c1ccc(cc1)C(=O)NCC[*:1]
Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C)C(=O)N(C)[*:1]
O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)[C@@H]1CC=CCC1 Fc1cccc(c1)C[*:1] O=C(NC[C@@H](N1CCNC1=O)[*:1])[C@@H]1CC=CCC1
O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)[C@@H]1CC=CCC1 O=C1NCCN1[*:1] O=C(NC[C@@H](Cc1cccc(F)c1)[*:1])[C@@H]1CC=CCC1
O=C(NC[C@@H](Cc1cccc(F)c1)N1CCNC1=O)[C@@H]1CC=CCC1 Fc1cccc(c1)[*:1] O=C(NC[C@@H](C[*:1])N1CCNC1=O)[C@@H]1CC=CCC1
Cc1ccc(CNC(=O)C(=O)Nc2c(C)ccn(C)c2=O)c(OC(C)C)c1 CC(C)O[*:1] Cc1ccc(CNC(=O)C(=O)Nc2c(C)ccn(C)c2=O)c(c1)[*:1]
Cc1ccc(CNC(=O)C(=O)Nc2c(C)ccn(C)c2=O)c(OC(C)C)c1 Cc1ccn(C)c(=O)c1[*:1] Cc1ccc(CNC(=O)C(=O)N[*:1])c(c1)OC(C)C
Cc1ccc(CNC(=O)C(=O)Nc2c(C)ccn(C)c2=O)c(OC(C)C)c1 CC(C)[*:1] Cc1ccc(CNC(=O)C(=O)Nc2c(C)ccn(C)c2=O)c(c1)O[*:1]
O=C(CSc1nnnn1-c1ccc(O)cc1)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CSc1nnnn1-c1ccc(O)cc1)N[*:1]
O=C(CSc1nnnn1-c1ccc(O)cc1)NC1CCCCCC1 Oc1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])NC1CCCCCC1
COCc1nc(CN2CC[NH+](CCC(C)C)CC2)cs1 CC(C)CC[*:1] COCc1nc(cs1)CN1CC[NH+](CC1)[*:1]
COCc1nc(CN2CC[NH+](CCC(C)C)CC2)cs1 CC(C)[*:1] COCc1nc(cs1)CN1CC[NH+](CC1)CC[*:1]
COCc1nc(CN2CC[NH+](CCC(C)C)CC2)cs1 COC[*:1] CC(C)CC[NH+]1CCN(CC1)Cc1csc(n1)[*:1]
COCc1nc(CN2CC[NH+](CCC(C)C)CC2)cs1 CC(C)C[*:1] COCc1nc(cs1)CN1CC[NH+](CC1)C[*:1]
COc1ccc(CNC(=O)[C@@]2(C)CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(C1)C(=O)NC[*:1]
COc1ccc(CNC(=O)[C@@]2(C)CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)[C@@]1(C)CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(CNC(=O)[C@@]2(C)CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(C1)C(=O)N[*:1]
CC[C@@H](NC(=O)N[C@H](C)Cc1cc(C)[nH]n1)c1ccc(C)c(F)c1 Cc1cc(n[nH]1)[*:1] CC[C@@H](NC(=O)N[C@H](C)C[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)N[C@H](C)Cc1cc(C)[nH]n1)c1ccc(C)c(F)c1 Cc1cc(C[*:1])n[nH]1 CC[C@@H](NC(=O)N[C@H](C)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)N[C@H](C)Cc1cc(C)[nH]n1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)N[C@H](C)Cc1cc(C)[nH]n1)[*:1]
CC1(C)CCCC[C@@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC1(C)CCCC[C@@H]1[NH2+]Cc1ccn(n1)[*:1]
Cc1cc(C)cc(Oc2ncnc(OC(C)C)c2N)c1 CC(C)O[*:1] Cc1cc(C)cc(c1)Oc1ncnc(c1N)[*:1]
Cc1cc(C)cc(Oc2ncnc(OC(C)C)c2N)c1 CC(C)[*:1] Cc1cc(C)cc(c1)Oc1ncnc(O[*:1])c1N
Cc1nc(C[C@@H]2C[C@@H](C(C)C)CCC2=O)sc1C CC(C)[*:1] Cc1nc(C[C@@H]2C[C@@H](CCC2=O)[*:1])sc1C
O=C1[C@H]2CCCCN2C(=O)CN1Cc1sccc1Br Brc1ccsc1[*:1] O=C1[C@H]2CCCCN2C(=O)CN1C[*:1]
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 c1cncc(c1)C[*:1] CCOc1cccc2sc(nc12)N(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[*:1]
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 c1cncc(c1)[*:1] CCOc1cccc2sc(nc12)N(C[*:1])C(=O)[C@@H]1CCCN1S(C)(=O)=O
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 CCO[*:1] CS(=O)(=O)N1CCC[C@H]1C(=O)N(Cc1cccnc1)c1nc2c(cccc2s1)[*:1]
Cc1ccc([O-])c(CN2CCC(CC[NH3+])CC2)[nH+]1 [NH3+]CC[*:1] Cc1ccc([O-])c(CN2CCC(CC2)[*:1])[nH+]1
Cc1nc(N)nc(C2CC2)c1C(N)=O NC(=O)[*:1] Cc1nc(N)nc(c1[*:1])C1CC1
Cc1nc(N)nc(C2CC2)c1C(N)=O C1CC1[*:1] Cc1nc(N)nc(c1C(N)=O)[*:1]
Cc1cc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n(C)n1 N#Cc1ccc(nc1)[*:1] Cc1cc(C(=O)NC2CCC(CC2)O[*:1])n(C)n1
Cc1cc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n(C)n1 Cc1cc(n(C)n1)[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)[*:1]
Cn1cc(C(N)=O)c(NC(=O)CCOc2cc(Cl)cc(Cl)c2)n1 NC(=O)[*:1] Cn1cc(c(n1)NC(=O)CCOc1cc(Cl)cc(Cl)c1)[*:1]
COCCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cc(F)cc(F)c21 COCC[*:1] O=C(/N=c1\sc2cc(F)cc(F)c2n1[*:1])c1cccc(c1)[N+](=O)[O-]
COCCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cc(F)cc(F)c21 O=[N+]([O-])[*:1] COCCn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2cc(F)cc(F)c21
COCCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cc(F)cc(F)c21 COC[*:1] O=C(/N=c1\sc2cc(F)cc(F)c2n1C[*:1])c1cccc(c1)[N+](=O)[O-]
COCCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cc(F)cc(F)c21 O=[N+]([O-])c1cccc(c1)[*:1] COCCn1/c(=N/C(=O)[*:1])sc2cc(F)cc(F)c21
COc1ccc(OC)c([C@@H]2C3=C([O-])CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)c1 COc1ccc(OC)c(c1)[*:1] CC1(C)CC2=NC3CC(C)(C)CC(=O)C=3[C@@H](C2=C([O-])C1)[*:1]
CC[C@@H](CO)NC(=O)Nc1cc(Br)c(F)cc1Cl CC[C@@H](CO)[*:1] O=C(Nc1cc(Br)c(F)cc1Cl)N[*:1]
Cc1ccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)N1CCC[C@@H](C1)c1cccc(c1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 Cc1ccc(cc1)C[*:1] CC(C)NC(=O)N1CCC[C@@H](C1)c1cccc(c1)C(=O)N[*:1]
Cc1ccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 CC(C)[*:1] Cc1ccc(cc1)CNC(=O)c1cccc(c1)[C@H]1CCCN(C1)C(=O)N[*:1]
C[C@H]([NH2+][C@@H]1CCCS[C@@H]1C)c1cccs1 c1csc(c1)[*:1] C[C@H]([NH2+][C@@H]1CCCS[C@@H]1C)[*:1]
COCCn1cnc2c1c(=O)n(Cc1cc(=O)oc3c(C)c(C)ccc13)c(=O)n2Cc1ccccc1 c1ccc(cc1)[*:1] COCCn1cnc2c1c(=O)n(Cc1cc(=O)oc3c(C)c(C)ccc13)c(=O)n2C[*:1]
COCCn1cnc2c1c(=O)n(Cc1cc(=O)oc3c(C)c(C)ccc13)c(=O)n2Cc1ccccc1 COC[*:1] Cc1ccc2c(cc(=O)oc2c1C)Cn1c(=O)c2c(ncn2C[*:1])n(Cc2ccccc2)c1=O
COCCn1cnc2c1c(=O)n(Cc1cc(=O)oc3c(C)c(C)ccc13)c(=O)n2Cc1ccccc1 COCC[*:1] Cc1ccc2c(cc(=O)oc2c1C)Cn1c(=O)c2c(ncn2[*:1])n(Cc2ccccc2)c1=O
COCCn1cnc2c1c(=O)n(Cc1cc(=O)oc3c(C)c(C)ccc13)c(=O)n2Cc1ccccc1 c1ccc(cc1)C[*:1] COCCn1cnc2c1c(=O)n(Cc1cc(=O)oc3c(C)c(C)ccc13)c(=O)n2[*:1]
CC[C@@H](C)OC[C@@H](CS)C(C)C CC(C)[*:1] CC[C@@H](C)OC[C@@H](CS)[*:1]
CC[C@@H](C)OC[C@@H](CS)C(C)C CC[C@@H](C)[*:1] CC(C)[C@H](CS)CO[*:1]
CCOc1ccccc1OCCN1CCO[C@@H](C(N)=O)C1 NC(=O)[*:1] CCOc1ccccc1OCCN1CCO[C@@H](C1)[*:1]
CCOc1ccccc1OCCN1CCO[C@@H](C(N)=O)C1 CCO[*:1] NC(=O)[C@H]1CN(CCOc2ccccc2[*:1])CCO1
Cc1cc(Sc2ccccn2)c2ccccc2n1 c1ccc(nc1)[*:1] Cc1cc(S[*:1])c2ccccc2n1
Cc1sc2nc([C@H](C)Sc3nnc(N4C[C@@H](C)C[C@H](C)C4)n3Cc3ccco3)[nH]c(=O)c2c1C c1coc(c1)C[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Sc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1[*:1]
Cc1sc2nc([C@H](C)Sc3nnc(N4C[C@@H](C)C[C@H](C)C4)n3Cc3ccco3)[nH]c(=O)c2c1C c1coc(c1)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Sc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1C[*:1]
COc1cc([N+](=O)[O-])ccc1N[C@H](C)C[C@H]1CCCC[NH2+]1 O=[N+]([O-])[*:1] COc1cc(ccc1N[C@H](C)C[C@H]1CCCC[NH2+]1)[*:1]
O=C(CCN1CCN(C(=O)C(=O)N2CCCC2)CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCN1CCN(CC1)C(=O)C(=O)N1CCCC1)N[*:1]
CCNC(=O)c1cn(CC(C)C)cc(C(=O)N[C@H](C)[C@H]2[NH+]=c3ccc(C)cc3=[NH+]2)c1=O CC(C)C[*:1] CCNC(=O)c1cn(cc(C(=O)N[C@H](C)[C@H]2[NH+]=c3ccc(C)cc3=[NH+]2)c1=O)[*:1]
CCNC(=O)c1cn(CC(C)C)cc(C(=O)N[C@H](C)[C@H]2[NH+]=c3ccc(C)cc3=[NH+]2)c1=O CC(C)[*:1] CCNC(=O)c1cn(cc(C(=O)N[C@H](C)[C@H]2[NH+]=c3ccc(C)cc3=[NH+]2)c1=O)C[*:1]
CCNC(=O)c1cn(CC(C)C)cc(C(=O)N[C@H](C)[C@H]2[NH+]=c3ccc(C)cc3=[NH+]2)c1=O CCNC(=O)[*:1] Cc1ccc2=[NH+][C@@H]([NH+]=c2c1)[C@@H](C)NC(=O)c1cn(cc(c1=O)[*:1])CC(C)C
CCCN1C(N)=[NH+]C[C@]12CCO[C@H](CC)C2 CCC[*:1] CC[C@@H]1C[C@]2(CCO1)C[NH+]=C(N)N2[*:1]
CNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)C(C)(C)OC)C2)nc1-c1ccc(OC)cc1 CNC(=O)[*:1] COc1ccc(cc1)-c1nc([nH]c1[*:1])[C@@H]1CCCN(C1)C(=O)C(C)(C)OC
CNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)C(C)(C)OC)C2)nc1-c1ccc(OC)cc1 COC(C)(C)[*:1] CNC(=O)c1[nH]c(nc1-c1ccc(cc1)OC)[C@@H]1CCCN(C1)C(=O)[*:1]
CNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)C(C)(C)OC)C2)nc1-c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CNC(=O)c1[nH]c(nc1[*:1])[C@@H]1CCCN(C1)C(=O)C(C)(C)OC
Cc1cccc([C@@H](O)CN[C@@H](C)c2cnccn2)c1 c1cnc(cn1)[*:1] Cc1cccc(c1)[C@@H](O)CN[C@@H](C)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCCC[C@H]1c1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)N1CCCCC[C@@H]1[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCCC[C@H]1c1ccncc1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)N1CCCCC[C@H]1c1ccncc1)[*:1]
Cc1c([O-])nc(CCNC(=O)c2sccc2C(C)C)[nH]c1=O CC(C)[*:1] Cc1c([O-])nc(CCNC(=O)c2sccc2[*:1])[nH]c1=O
Cc1sc2ncn(CC(=O)c3ccc(OC(F)F)cc3)c(=O)c2c1C FC(F)O[*:1] Cc1sc2ncn(CC(=O)c3ccc(cc3)[*:1])c(=O)c2c1C
Cc1sc2ncn(CC(=O)c3ccc(OC(F)F)cc3)c(=O)c2c1C FC(F)[*:1] Cc1sc2ncn(CC(=O)c3ccc(cc3)O[*:1])c(=O)c2c1C
CCCN(CC)c1ccc(C(=O)n2ncc(C#N)c2N)cc1 CCCN(CC)[*:1] N#Cc1cnn(C(=O)c2ccc(cc2)[*:1])c1N
CCCN(CC)c1ccc(C(=O)n2ncc(C#N)c2N)cc1 CCC[*:1] CCN(c1ccc(cc1)C(=O)n1ncc(C#N)c1N)[*:1]
Cc1ccccc1N(CCC(=O)[O-])[C@@H](C)[C@@H](C)O O=C([O-])C[*:1] Cc1ccccc1N(C[*:1])[C@@H](C)[C@@H](C)O
Cc1ccccc1N(CCC(=O)[O-])[C@@H](C)[C@@H](C)O O=C([O-])[*:1] Cc1ccccc1N(CC[*:1])[C@@H](C)[C@@H](C)O
Cc1ccccc1N(CCC(=O)[O-])[C@@H](C)[C@@H](C)O O=C([O-])CC[*:1] Cc1ccccc1N([C@@H](C)[C@@H](C)O)[*:1]
Cc1ccccc1N(CCC(=O)[O-])[C@@H](C)[C@@H](C)O C[C@@H](O)[*:1] Cc1ccccc1N(CCC(=O)[O-])[C@@H](C)[*:1]
Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCc3ccc(F)cc3)ccc2=O)cc1Cl Fc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)-n1nc(ccc1=O)S[C@@H](C)C(=O)NC[*:1]
Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCc3ccc(F)cc3)ccc2=O)cc1Cl Fc1ccc(cc1)C[*:1] Cc1ccc(cc1Cl)-n1nc(ccc1=O)S[C@@H](C)C(=O)N[*:1]
Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCc3ccc(F)cc3)ccc2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] C[C@H](Sc1ccc(=O)n(n1)[*:1])C(=O)NCc1ccc(F)cc1
C[C@@H](NC(=O)C(C)(C)C)c1cccc(N)c1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])c1cccc(N)c1
CCC[C@@H](C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1 CCC[*:1] Cc1cccc(C)c1NC(=O)CN1CCN(CC1)C(=O)[C@@H](c1ccccc1)[*:1]
CCC[C@@H](C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C(=O)N1CCN(CC1)CC(=O)Nc1c(C)cccc1C)[*:1]
CCC[C@@H](C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1 Cc1cccc(C)c1[*:1] CCC[C@@H](C(=O)N1CCN(CC1)CC(=O)N[*:1])c1ccccc1
Cc1ccoc1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1ccoc1C(=O)N1CCN(CC1)C(=O)N[*:1]
Cc1ccoc1C(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 Cc1ccoc1[*:1] O=C(Nc1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NC[C@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(CN(C1CCCCC1)S(=O)(=O)[*:1])NC[C@H]1CCCO1
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NC[C@H]1CCCO1 C1CCC(CC1)[*:1] O=C(CN(S(=O)(=O)c1ccc(F)cc1)[*:1])NC[C@H]1CCCO1
Cc1ccc(C)c([C@H](c2ccccc2)[C@H](O)C(C)C)c1 CC(C)[C@@H](O)[*:1] Cc1ccc(C)c(c1)[C@H](c1ccccc1)[*:1]
Cc1ccc(C)c([C@H](c2ccccc2)[C@H](O)C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)[C@H](c1ccccc1)[C@H](O)[*:1]
Cc1ccc(C)c([C@H](c2ccccc2)[C@H](O)C(C)C)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)[C@H]([C@H](O)C(C)C)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(Cn2ncn(C(C)(C)C)c2=S)C1 CCNS(=O)(=O)[*:1] CC(C)(C)n1cnn(CN2CC[C@H](C2)[*:1])c1=S
CCNS(=O)(=O)[C@@H]1CCN(Cn2ncn(C(C)(C)C)c2=S)C1 CC(C)(C)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)Cn1ncn(c1=S)[*:1]
C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@@H](Nc1ccc(cc1)CN1CCCC1=O)[*:1]
C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)C(=O)NC(N)=O O=C1CCCN1C[*:1] C[C@@H](Nc1ccc(cc1)[*:1])C(=O)NC(N)=O
C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)C(=O)NC(N)=O O=C1CCCN1[*:1] C[C@@H](Nc1ccc(cc1)C[*:1])C(=O)NC(N)=O
C=CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1CCC C=CCO[*:1] CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1[*:1]
C=CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1CCC CCC[*:1] C=CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1[*:1]
C=CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1CCC C=CC[*:1] CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1O[*:1]
N#Cc1c([O-])nc2c(c1-c1ccncc1)COc1ccccc1-2 c1cc(ccn1)[*:1] N#Cc1c([O-])nc2-c3ccccc3OCc2c1[*:1]
CC(=O)c1ccccc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 CC(=O)[*:1] O=C(c1ccccc1[*:1])N1CCO[C@@H](C1)c1ccc(Cl)c(Cl)c1
CC(=O)c1ccccc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 Clc1ccc(cc1Cl)[*:1] CC(=O)c1ccccc1C(=O)N1CCO[C@H](C1)[*:1]
COCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O COCC[*:1] Cc1cc(C)cc(c1)Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)N[*:1]
COCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O COC[*:1] Cc1cc(C)cc(c1)Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NC[*:1]
COCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O Cc1cc(C)cc(c1)O[*:1] COCCNC(=O)/C(C#N)=C/c1c(nc2c(C)cccn2c1=O)[*:1]
COCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O Cc1cc(C)cc(c1)[*:1] COCCNC(=O)/C(C#N)=C/c1c(nc2c(C)cccn2c1=O)O[*:1]
COCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O COCCNC(=O)[*:1] Cc1cc(C)cc(c1)Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)[*:1]
Cc1noc(C)c1CSc1ccccc1C(=O)N1CCO[C@@H](C)C1 Cc1noc(C)c1[*:1] C[C@H]1CN(CCO1)C(=O)c1ccccc1SC[*:1]
Cc1noc(C)c1CSc1ccccc1C(=O)N1CCO[C@@H](C)C1 Cc1noc(C)c1C[*:1] C[C@H]1CN(CCO1)C(=O)c1ccccc1S[*:1]
CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 Clc1ccc(cc1)[*:1] CC[C@@H](NS(=O)(=O)[*:1])C(=O)Nc1cccc2ccccc12
C[C@@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](Nc1cccc2ccccc12)C(=O)NN=C[*:1]
COc1ccc(F)c(NC2CC(c3ccccc3C)C2)c1 Cc1ccccc1[*:1] COc1ccc(F)c(c1)NC1CC(C1)[*:1]
N#Cc1ccsc1NC(=O)CCCOc1ccc(Cl)cc1Cl N#Cc1ccsc1[*:1] O=C(CCCOc1ccc(Cl)cc1Cl)N[*:1]
O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccccc1[*:1]
O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccccc1C(F)(F)F Fc1ccc(cc1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)Nc1ccccc1C(F)(F)F
C[C@H]1CN(C2CCN(Cc3cccc(O)c3)CC2)CCO1 C[C@H]1CN(CCO1)[*:1] Oc1cccc(c1)CN1CCC(CC1)[*:1]
C[C@H]1CN(C2CCN(Cc3cccc(O)c3)CC2)CCO1 Oc1cccc(c1)[*:1] C[C@H]1CN(CCO1)C1CCN(CC1)C[*:1]
C[C@H](NC(=O)NCC(C)(C)c1ccncc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCC(C)(C)c1ccncc1)C(=O)N[*:1]
C[C@H](NC(=O)NCC(C)(C)c1ccncc1)C(=O)Nc1ccccc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)NCC(C)(C)[*:1])C(=O)Nc1ccccc1
CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 CC[S@@](=O)[*:1] c1ccc2nc(ccc2c1)C[NH2+][C@H]1CCCC[C@@H]1[*:1]
COc1cc(S(=O)(=O)N[C@H](C)CSC)ccc1Br CSC[*:1] COc1cc(ccc1Br)S(=O)(=O)N[C@H](C)[*:1]
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC3CCCC3)C[C@@H]2C1 C1CCC(C1)[*:1] [NH3+][C@@H]1CC[C@@H]2CN(C[C@@H]2C1)C(=O)N[*:1]
O=C([O-])CCCCc1nc2cccc(Cl)c2s1 O=C([O-])CC[*:1] Clc1cccc2nc(CC[*:1])sc12
O=C([O-])CCCCc1nc2cccc(Cl)c2s1 O=C([O-])C[*:1] Clc1cccc2nc(CCC[*:1])sc12
O=C([O-])CCCCc1nc2cccc(Cl)c2s1 O=C([O-])[*:1] Clc1cccc2nc(CCCC[*:1])sc12
CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Cn2ccnc2)c1 c1cn(cn1)C[*:1] CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(c1)[*:1]
CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Cn2ccnc2)c1 c1cn(cn1)[*:1] CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(c1)C[*:1]
CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Cn2ccnc2)c1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)Cn1ccnc1)N[C@@H](Cn1cc[nH+]c1)[*:1]
Cc1cc([C@H](C)NC(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)Nc1cccc(c1)S(C)(=O)=O)[*:1]
Cc1cc([C@H](C)NC(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)s1 CS(=O)(=O)[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
Cc1cc(C(=O)NCC(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(CNC(=O)[*:1])N[C@H]1C[C@@H]1c1cccc(Cl)c1
Cc1cc(C(=O)NCC(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)c(C)o1 Clc1cccc(c1)[*:1] Cc1cc(C(=O)NCC(=O)N[C@H]2C[C@H]2[*:1])c(C)o1
COc1ccc(/C=C(/C#N)C(=O)NCCc2nc3ccccc3s2)cc1 COc1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)NCCc1nc2ccccc2s1
CCOc1ccc(CNC(=O)C2CCN(c3ncnc4nn(-c5ccc(C)cc5)cc34)CC2)cc1 CCOc1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1cc2c(ncnc2n1)N1CCC(CC1)C(=O)N[*:1]
CCOc1ccc(CNC(=O)C2CCN(c3ncnc4nn(-c5ccc(C)cc5)cc34)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1cc2c(ncnc2n1)N1CCC(CC1)C(=O)NC[*:1]
CCOc1ccc(CNC(=O)C2CCN(c3ncnc4nn(-c5ccc(C)cc5)cc34)CC2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)CNC(=O)C1CCN(CC1)c1ncnc2nn(cc12)[*:1]
CCOc1ccc(CNC(=O)C2CCN(c3ncnc4nn(-c5ccc(C)cc5)cc34)CC2)cc1 CCO[*:1] Cc1ccc(cc1)-n1cc2c(ncnc2n1)N1CCC(CC1)C(=O)NCc1ccc(cc1)[*:1]
CCOc1ncccc1C(=O)Oc1ccc(NC(=O)c2cccs2)cc1 O=C(N[*:1])c1cccs1 CCOc1ncccc1C(=O)Oc1ccc(cc1)[*:1]
CCOc1ncccc1C(=O)Oc1ccc(NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] CCOc1ncccc1C(=O)Oc1ccc(cc1)NC(=O)[*:1]
CCOc1ncccc1C(=O)Oc1ccc(NC(=O)c2cccs2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)OC(=O)c1cccnc1[*:1])c1cccs1
COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)-c1nnc(SCc2ccc(cc2)[*:1])n1C
COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1OC O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nnc(SC[*:1])n1C
O=C(CN1CCN(C(=O)Nc2cccnc2Br)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(Nc1cccnc1Br)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)Nc2cccnc2Br)CC1)N1CCCCC1 Brc1ncccc1[*:1] O=C(CN1CCN(CC1)C(=O)N[*:1])N1CCCCC1
COc1ccc(CC(=O)CC#N)cc1 N#CC[*:1] COc1ccc(cc1)CC(=O)[*:1]
CC(C)[C@@H](O)C[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1 CC(C)[C@@H](O)[*:1] CC(C)(C)[S@@](=O)N[C@H](C[*:1])c1ccccc1
CC(C)[C@@H](O)C[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1 CC(C)[*:1] CC(C)(C)[S@@](=O)N[C@H](C[C@H](O)[*:1])c1ccccc1
CC(C)[C@@H](O)C[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1 CC(C)(C)[*:1] CC(C)[C@@H](O)C[C@@H](N[S@](=O)[*:1])c1ccccc1
CC(C)[C@@H](O)C[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1 CC(C)[C@@H](O)C[*:1] CC(C)(C)[S@@](=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](O)C[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](O)C[C@@H](N[S@](=O)C(C)(C)C)[*:1]
C=CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 C=CC[*:1] O=C(Nc1nnn(n1)[*:1])c1ccc(o1)-c1ccc(Cl)cc1
C=CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 Clc1ccc(cc1)[*:1] C=CCn1nnc(n1)NC(=O)c1ccc(o1)[*:1]
CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1Cl CCC[*:1] O=C(NC(=S)Nc1ccc(NC(=O)[*:1])c(Cl)c1)c1ccccc1F
CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1Cl Fc1ccccc1[*:1] CCCC(=O)Nc1ccc(cc1Cl)NC(=S)NC(=O)[*:1]
CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1Cl CCCC(=O)N[*:1] O=C(NC(=S)Nc1ccc(c(Cl)c1)[*:1])c1ccccc1F
CCn1cncc1[C@@H]1OCC[C@H]1C[NH2+]C(C)(C)C CC(C)(C)[*:1] CCn1cncc1[C@@H]1OCC[C@H]1C[NH2+][*:1]
COC[C@H](C)OC(=O)c1cccc(I)c1 COC[*:1] C[C@H](OC(=O)c1cccc(I)c1)[*:1]
COC[C@H](C)OC(=O)c1cccc(I)c1 COC[C@H](C)[*:1] O=C(O[*:1])c1cccc(I)c1
CC1(C)CCCC[C@@]1(C(=O)[O-])[NH+]1CCNCC1 O=C([O-])[*:1] CC1(C)CCCC[C@]1([NH+]1CCNCC1)[*:1]
C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)Nc3cn[nH]c3)c2)C1 c1n[nH]cc1[*:1] C[C@H]1CCC[C@H](C1)OCc1cccc(c1)NC(=O)N[*:1]
COc1cc2c(=O)[nH]c3c(C(=O)NC4CCCCC4)c4nc5ccccc5nc4n3c2cc1OC C1CCC(CC1)[*:1] COc1cc2c(=O)[nH]c3c(C(=O)N[*:1])c4nc5ccccc5nc4n3c2cc1OC
COc1cc2c(=O)[nH]c3c(C(=O)NC4CCCCC4)c4nc5ccccc5nc4n3c2cc1OC O=C(NC1CCCCC1)[*:1] COc1cc2c(=O)[nH]c3c(c4nc5ccccc5nc4n3c2cc1OC)[*:1]
CC(C)CN(Cc1ccncc1)C(=O)c1cnc(-c2cccnc2)nc1[O-] c1cc(ccn1)C[*:1] CC(C)CN(C(=O)c1cnc(nc1[O-])-c1cccnc1)[*:1]
CC(C)CN(Cc1ccncc1)C(=O)c1cnc(-c2cccnc2)nc1[O-] CC(C)C[*:1] O=C(c1cnc(nc1[O-])-c1cccnc1)N(Cc1ccncc1)[*:1]
CC(C)CN(Cc1ccncc1)C(=O)c1cnc(-c2cccnc2)nc1[O-] c1cc(ccn1)[*:1] CC(C)CN(C[*:1])C(=O)c1cnc(nc1[O-])-c1cccnc1
CC(C)CN(Cc1ccncc1)C(=O)c1cnc(-c2cccnc2)nc1[O-] CC(C)[*:1] O=C(c1cnc(nc1[O-])-c1cccnc1)N(Cc1ccncc1)C[*:1]
CC(C)CN(Cc1ccncc1)C(=O)c1cnc(-c2cccnc2)nc1[O-] c1cncc(c1)[*:1] CC(C)CN(Cc1ccncc1)C(=O)c1cnc(nc1[O-])[*:1]
C[C@@](N)(C(=O)N1Cc2ccccc2C1)C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(C(=O)N1Cc2ccccc2C1)[*:1]
Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1
Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cnn1-c1ccccn1 c1ccc(cc1)[*:1] Cc1c(cnn1-c1ccccn1)[C@@H](C)[NH2+]C[C@H]1C[C@H]1[*:1]
Cc1cnn(CCC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cnn(c1)CCC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
Cc1cnn(CCC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c1 Cc1cnn(c1)[*:1] O=C(CC[*:1])N[C@H](c1ccc(Cl)cc1)C(F)(F)F
Cc1cnn(CCC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c1 Clc1ccc(cc1)[*:1] Cc1cnn(c1)CCC(=O)N[C@H](C(F)(F)F)[*:1]
Cc1cnn(CCC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)c1 Cc1cnn(c1)C[*:1] O=C(C[*:1])N[C@H](c1ccc(Cl)cc1)C(F)(F)F
CCCC(=O)Oc1ccccc1C(=O)OC CCC[*:1] COC(=O)c1ccccc1OC(=O)[*:1]
CCCC(=O)Oc1ccccc1C(=O)OC COC(=O)[*:1] CCCC(=O)Oc1ccccc1[*:1]
COC(=O)c1cnc(Cl)cc1N COC(=O)[*:1] Nc1cc(Cl)ncc1[*:1]
CCOc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1 CCO[*:1] O=C(N[C@H]1CC(=O)N(C1)c1ccccc1)c1ccc(cc1)[*:1]
CC[C@H]1CC[C@](Cc2cccc(OC)n2)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@H]1CC[C@](Cc2cccc(n2)OC)(C1)[*:1]
Cc1ccc(-n2cnnn2)cc1NC(=O)CCNC(=O)[C@H]1C[C@@H]1C c1nnnn1[*:1] Cc1ccc(cc1NC(=O)CCNC(=O)[C@H]1C[C@@H]1C)[*:1]
CCC[NH2+][C@@H](Cc1ccc(F)c(F)c1)CC(C)C CCC[*:1] CC(C)C[C@H](Cc1ccc(F)c(F)c1)[NH2+][*:1]
CCC[NH2+][C@@H](Cc1ccc(F)c(F)c1)CC(C)C CC(C)C[*:1] CCC[NH2+][C@@H](Cc1ccc(F)c(F)c1)[*:1]
CCC[NH2+][C@@H](Cc1ccc(F)c(F)c1)CC(C)C CC(C)[*:1] CCC[NH2+][C@@H](Cc1ccc(F)c(F)c1)C[*:1]
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NCC(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1cc(ccc1NC(=O)NC[*:1])C(=O)N1CCCC[C@@H]1C
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NCC(=O)NC1CC1 C1CC1[*:1] Cc1cc(ccc1NC(=O)NCC(=O)N[*:1])C(=O)N1CCCC[C@@H]1C
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NCC(=O)NC1CC1 C[C@H]1CCCCN1C(=O)[*:1] Cc1cc(ccc1NC(=O)NCC(=O)NC1CC1)[*:1]
Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)NCC(=O)NC1CC1 O=C(C[*:1])NC1CC1 Cc1cc(ccc1NC(=O)N[*:1])C(=O)N1CCCC[C@@H]1C
N#C[C@@H](c1ccccc1)N(CCCCl)C(=O)c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H](c1ccccc1)N(CCCCl)C(=O)[*:1]
N#C[C@@H](c1ccccc1)N(CCCCl)C(=O)c1ccccc1 ClCC[*:1] N#C[C@@H](c1ccccc1)N(C[*:1])C(=O)c1ccccc1
N#C[C@@H](c1ccccc1)N(CCCCl)C(=O)c1ccccc1 ClCCC[*:1] N#C[C@@H](c1ccccc1)N(C(=O)c1ccccc1)[*:1]
N#C[C@@H](c1ccccc1)N(CCCCl)C(=O)c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H](N(CCCCl)C(=O)c1ccccc1)[*:1]
Cc1cc(-c2noc(COc3cccc4c3NC(=O)CO4)n2)ccc1F Cc1cc(ccc1F)[*:1] O=C1COc2cccc(OCc3nc(no3)[*:1])c2N1
CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H](C)n1cc[nH+]c1C(C)C CC(C)[*:1] CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H](C)n1cc[nH+]c1[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)N2CCC[C@@H](C)[C@H]2CO)cc1 CCN(CC)C(=O)[*:1] C[C@@H]1CCCN(C(=O)Nc2ccc(cc2)C[*:1])[C@@H]1CO
CCN(CC)C(=O)Cc1ccc(NC(=O)N2CCC[C@@H](C)[C@H]2CO)cc1 CCN(CC)C(=O)C[*:1] C[C@@H]1CCCN(C(=O)Nc2ccc(cc2)[*:1])[C@@H]1CO
COC(C)(C)C[C@H](C)NC(=O)Nc1cc(C)cc2cccnc12 COC(C)(C)[*:1] Cc1cc(NC(=O)N[C@@H](C)C[*:1])c2ncccc2c1
COC(C)(C)C[C@H](C)NC(=O)Nc1cc(C)cc2cccnc12 COC(C)(C)C[*:1] Cc1cc(NC(=O)N[C@@H](C)[*:1])c2ncccc2c1
Nc1nc(-c2ccccc2Cl)nn1C(=O)c1cccs1 c1csc(c1)[*:1] Nc1nc(nn1C(=O)[*:1])-c1ccccc1Cl
CC(C)N1N=CC2=N[C@H](c3ccc(-c4ccccn4)cc3)N[C@@H]21 c1ccc(nc1)[*:1] CC(C)N1N=CC2=N[C@@H](N[C@@H]21)c1ccc(cc1)[*:1]
CC(C)N1N=CC2=N[C@H](c3ccc(-c4ccccn4)cc3)N[C@@H]21 CC(C)[*:1] C1=NN([C@H]2N[C@H](N=C12)c1ccc(cc1)-c1ccccn1)[*:1]
Nc1cc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl Clc1ccc(cc1)[*:1] Nc1cc(ccc1Cl)C(=O)OCc1nc(no1)[*:1]
Nc1cc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl Nc1cc(ccc1Cl)[*:1] O=C(OCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCN(c4ccccc4F)CC3)cc2c1 Cc1ccc2[nH]c(=O)c(cc2c1)[*:1] Fc1ccccc1N1CC[NH+](CC1)[C@@H](c1nnnn1C1CCCC1)[*:1]
Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCN(c4ccccc4F)CC3)cc2c1 C1CCC(C1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1[*:1])[NH+]1CCN(CC1)c1ccccc1F
Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCN(c4ccccc4F)CC3)cc2c1 Fc1ccccc1[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(CC1)[*:1]
Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCN(c4ccccc4F)CC3)cc2c1 C1CCC(C1)n1nnnc1[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)[C@H]([NH+]1CCN(CC1)c1ccccc1F)[*:1]
C/[NH+]=C(/NCc1n[nH]c(-c2ccco2)n1)N[C@H]1C[C@](C)(OC)C1(C)C c1coc(c1)[*:1] C/[NH+]=C(/NCc1n[nH]c(n1)[*:1])N[C@H]1C[C@](C)(OC)C1(C)C
CO[C@H](CNC(=O)c1ccc2c(c1)nc(C)n2C)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](CNC(=O)c1ccc2c(c1)nc(C)n2C)[*:1]
NC(=O)c1cc(-c2cs/c(=N\C[C@@H]3CCCO3)n2/N=C/c2ccccn2)ccc1O NC(=O)[*:1] Oc1ccc(cc1[*:1])-c1cs/c(=N\C[C@@H]2CCCO2)n1/N=C/c1ccccn1
NC(=O)c1cc(-c2cs/c(=N\C[C@@H]3CCCO3)n2/N=C/c2ccccn2)ccc1O c1ccc(nc1)[*:1] NC(=O)c1cc(ccc1O)-c1cs/c(=N\C[C@@H]2CCCO2)n1N=C[*:1]
NC(=O)c1cc(-c2cs/c(=N\C[C@@H]3CCCO3)n2/N=C/c2ccccn2)ccc1O NC(=O)c1cc(ccc1O)[*:1] C(=N/n1c(cs/c1=N\C[C@@H]1CCCO1)[*:1])\c1ccccn1
CN(Cc1cccc(F)c1)C(=O)CNC(=O)c1cc2occc2n1C Fc1cccc(c1)[*:1] CN(C[*:1])C(=O)CNC(=O)c1cc2occc2n1C
CN(Cc1cccc(F)c1)C(=O)CNC(=O)c1cc2occc2n1C Fc1cccc(c1)C[*:1] CN(C(=O)CNC(=O)c1cc2occc2n1C)[*:1]
Cc1cc(Cl)cnc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1cc(Cl)cnc1NC(=O)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 c1cc(cs1)C[*:1] C[C@H](N(C)C(=O)c1ccc(cc1)-n1ncc(C#N)c1N)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 N#Cc1cnn(c1N)[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc(cc1)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 c1cc(cs1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1ccc(cc1)-n1ncc(C#N)c1N
CCn1nc(C)c(CNC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c1C C[C@@H]1CN(CCO1)[*:1] CCn1nc(C)c(CNC(=O)N2CCC(CC2)[*:1])c1C
C#CC[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccn1 C#CC[*:1] O=C(Cn1cnc(n1)[N+](=O)[O-])O[C@H](c1ccccn1)[*:1]
C#CC[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccn1 O=[N+]([O-])[*:1] C#CC[C@H](OC(=O)Cn1cnc(n1)[*:1])c1ccccn1
C#CC[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccn1 c1ccc(nc1)[*:1] C#CC[C@H](OC(=O)Cn1cnc(n1)[N+](=O)[O-])[*:1]
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(I)cc2C)o1 COc1ccccc1[*:1] Cc1cc(I)ccc1NC(=O)CSc1nnc(o1)[*:1]
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(I)cc2C)o1 Cc1cc(I)ccc1[*:1] COc1ccccc1-c1nnc(o1)SCC(=O)N[*:1]
C[C@H]1CN(CC2CCN(c3ncccc3S(N)(=O)=O)CC2)C[C@H](C)O1 NS(=O)(=O)[*:1] C[C@H]1CN(CC2CCN(CC2)c2ncccc2[*:1])C[C@H](C)O1
CCOC(=O)[C@@H](C)CNC(=O)c1cc(C)cc(Br)c1O CCOC(=O)[*:1] Cc1cc(Br)c(O)c(c1)C(=O)NC[C@H](C)[*:1]
C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)N/N=C/c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)COc1ccc2CCCCc2c1)C(=O)NN=C[*:1]
Cc1csc(Sc2ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc2)n1 Cc1csc(n1)[*:1] C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(cc1)S[*:1]
Cc1csc(Sc2ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc2)n1 Cc1csc(n1)S[*:1] C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(cc1)[*:1]
CC[C@H]1CN(C(=O)Nc2ccccc2S(=O)(=O)C(C)C)C[C@H](C)O1 CC(C)[*:1] CC[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccccc1S(=O)(=O)[*:1]
CC[C@H]1CN(C(=O)Nc2ccccc2S(=O)(=O)C(C)C)C[C@H](C)O1 CC(C)S(=O)(=O)[*:1] CC[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccccc1[*:1]
O=C(/C=C/c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 C(=C[*:1])c1ccccc1 O=C(N1CC[NH+](CC1)Cc1ccc(F)cc1)[*:1]
O=C(/C=C/c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1)N1CC[NH+](CC1)C[*:1]
O=C(/C=C/c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(C=C[*:1])N1CC[NH+](CC1)Cc1ccc(F)cc1
O=C(/C=C/c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(/C=C/c1ccccc1)N1CC[NH+](CC1)[*:1]
COc1cc(Cl)ccc1-c1ccc(CC(=O)[O-])cc1 O=C([O-])C[*:1] COc1cc(Cl)ccc1-c1ccc(cc1)[*:1]
COc1cc(Cl)ccc1-c1ccc(CC(=O)[O-])cc1 O=C([O-])[*:1] COc1cc(Cl)ccc1-c1ccc(cc1)C[*:1]
CCOc1ccc(OC(=O)Cn2nc3ccccn3c2=O)cc1 CCO[*:1] O=C(Cn1nc2ccccn2c1=O)Oc1ccc(cc1)[*:1]
O=C1NCC2(CC[NH+](Cc3ccc(C(=O)Nc4nccs4)cc3)CC2)O1 c1csc(n1)[*:1] O=C1NCC2(CC[NH+](CC2)Cc2ccc(cc2)C(=O)N[*:1])O1
O=C1NCC2(CC[NH+](Cc3ccc(C(=O)Nc4nccs4)cc3)CC2)O1 O=C(Nc1nccs1)[*:1] O=C1NCC2(CC[NH+](CC2)Cc2ccc(cc2)[*:1])O1
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+]C(C)(C)C CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)C[NH2+][*:1])S(N)(=O)=O
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+]C(C)(C)C NS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)C[NH2+]C(C)(C)C)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)Nc1ccccc1F N#Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)Nc1ccccc1F
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)N[*:1]
Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C)[C@@H](C)c1ccncn1 c1cc(ncn1)[*:1] Cc1oc(nc1CN(C)[C@@H](C)[*:1])-c1cc2OCOc2cc1Cl
O=C(c1ccc(OCC(F)F)nc1)N1CCC([NH+]2CCCC2)CC1 FC(F)CO[*:1] O=C(c1ccc(nc1)[*:1])N1CCC(CC1)[NH+]1CCCC1
O=C(c1ccc(OCC(F)F)nc1)N1CCC([NH+]2CCCC2)CC1 FC(F)C[*:1] O=C(c1ccc(nc1)O[*:1])N1CCC(CC1)[NH+]1CCCC1
O=C(c1ccc(OCC(F)F)nc1)N1CCC([NH+]2CCCC2)CC1 FC(F)[*:1] O=C(c1ccc(nc1)OC[*:1])N1CCC(CC1)[NH+]1CCCC1
O=C(Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc2nc([nH]c2c1)-c1ccccc1Cl)c1ccccc1[*:1]
O=C(Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1ccccc1[N+](=O)[O-] Clc1ccccc1[*:1] O=C(Nc1ccc2nc([nH]c2c1)[*:1])c1ccccc1[N+](=O)[O-]
O=C(Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] O=C(Nc1ccc2nc([nH]c2c1)-c1ccccc1Cl)[*:1]
O=C(c1cccc(OCC(F)F)n1)N1CCCC[C@H]1CN1CCOCC1 FC(F)CO[*:1] O=C(c1cccc(n1)[*:1])N1CCCC[C@H]1CN1CCOCC1
O=C(c1cccc(OCC(F)F)n1)N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(c1cccc(n1)OCC(F)F)N1CCCC[C@H]1C[*:1]
O=C(c1cccc(OCC(F)F)n1)N1CCCC[C@H]1CN1CCOCC1 FC(F)[*:1] O=C(c1cccc(n1)OC[*:1])N1CCCC[C@H]1CN1CCOCC1
O=C(c1cccc(OCC(F)F)n1)N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(c1cccc(n1)OCC(F)F)N1CCCC[C@@H]1[*:1]
O=C(c1cccc(OCC(F)F)n1)N1CCCC[C@H]1CN1CCOCC1 FC(F)C[*:1] O=C(c1cccc(n1)O[*:1])N1CCCC[C@H]1CN1CCOCC1
CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)c2ccccc2)n(C)c1 CNS(=O)(=O)[*:1] Cn1cc(cc1C(=O)NCC(C)(C)c1ccccc1)[*:1]
CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)c2ccccc2)n(C)c1 c1ccc(cc1)[*:1] CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)[*:1])n(C)c1
C[C@H]([NH2+]Cc1cccs1)c1ccncc1 c1csc(c1)[*:1] C[C@H]([NH2+]C[*:1])c1ccncc1
CCn1c(CNC(=O)CCc2nc(-c3cccnc3)no2)nc2ccccc21 c1cncc(c1)[*:1] CCn1c(CNC(=O)CCc2nc(no2)[*:1])nc2ccccc21
COc1c(C)cnc(CNC(=O)c2cnn(-c3ccncc3)c2C)c1C c1cc(ccn1)[*:1] COc1c(C)cnc(CNC(=O)c2cnn(c2C)[*:1])c1C
CCOc1cc(NCc2sccc2CC)ccc1N CCO[*:1] CCc1ccsc1CNc1ccc(N)c(c1)[*:1]
N#CC1=C(SCC(=O)c2ccc(Cl)cc2)NC(=O)[C@@H](C#N)C12CCCCC2 O=C(c1ccc(Cl)cc1)[*:1] N#CC1=C(NC(=O)[C@@H](C#N)C12CCCCC2)SC[*:1]
N#CC1=C(SCC(=O)c2ccc(Cl)cc2)NC(=O)[C@@H](C#N)C12CCCCC2 Clc1ccc(cc1)[*:1] N#CC1=C(NC(=O)[C@@H](C#N)C12CCCCC2)SCC(=O)[*:1]
CC[C@H]1COCCN1C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CC[C@H]1COCCN1C(=O)NC[C@@H](C)c1nc(no1)[*:1]
COC(=O)c1cc(C[NH+](C)Cn2nc(C(C)(C)C)ccc2=O)oc1C CC(C)(C)[*:1] COC(=O)c1cc(C[NH+](C)Cn2nc(ccc2=O)[*:1])oc1C
COC(=O)c1cc(C[NH+](C)Cn2nc(C(C)(C)C)ccc2=O)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])C[NH+](C)Cn1nc(ccc1=O)C(C)(C)C
C[C@H](NC(=O)N(C)Cc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F c1cc2OCOc2cc1[*:1] C[C@H](NC(=O)N(C)C[*:1])c1ccccc1C(F)(F)F
C[C@H](NC(=O)N(C)Cc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@H](NC(=O)N(C)Cc1ccc2OCOc2c1)c1ccccc1[*:1]
Cc1ccc(C)c(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NC[C@@](O)(C(F)(F)F)[*:1]
Cc1ccc(C)c(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NC[C@@](O)(c1ccccc1)[*:1]
Cc1ccc(C)c(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c1 Cc1ccc(C)c(c1)[*:1] O=S(=O)(NC[C@@](O)(c1ccccc1)C(F)(F)F)[*:1]
O=C(N1CCCC1)N(Cc1cccnc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(N1CCCC1)N(Cc1cccnc1)[*:1]
O=C(N1CCCC1)N(Cc1cccnc1)c1ccc(F)cc1 c1cncc(c1)[*:1] O=C(N1CCCC1)N(C[*:1])c1ccc(F)cc1
O=C(N1CCCC1)N(Cc1cccnc1)c1ccc(F)cc1 c1cncc(c1)C[*:1] O=C(N1CCCC1)N(c1ccc(F)cc1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(N2CCOCC2)nc2ccccc12 C1CN(CCO1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(nc2ccccc12)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(N2CCOCC2)nc2ccccc12 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)c1cc(nc2ccccc12)N1CCOCC1)[*:1]
CC(C)CC(C)(C)C(=O)NCc1ccc2c(c1)OCCCO2 CC(C)[*:1] CC(C)(C[*:1])C(=O)NCc1ccc2OCCCOc2c1
CC(C)CC(C)(C)C(=O)NCc1ccc2c(c1)OCCCO2 CC(C)CC(C)(C)[*:1] O=C(NCc1ccc2OCCCOc2c1)[*:1]
CC(C)CC(C)(C)C(=O)NCc1ccc2c(c1)OCCCO2 CC(C)C[*:1] CC(C)(C(=O)NCc1ccc2OCCCOc2c1)[*:1]
Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](C1)[*:1]
c1csc(Cn2cccc2CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 C1Cc2nnc(n2C1)[*:1] c1csc(c1)Cn1cccc1CN1CCC[C@@H](C1)[*:1]
c1csc(Cn2cccc2CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 c1csc(c1)C[*:1] c1cc(CN2CCC[C@H](C2)c2nnc3CCCn32)n(c1)[*:1]
c1csc(Cn2cccc2CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 c1csc(c1)[*:1] c1cc(CN2CCC[C@H](C2)c2nnc3CCCn32)n(c1)C[*:1]
N#Cc1cccc(-c2ncnn2CC(=O)c2ccc3ccccc3c2)c1 N#Cc1cccc(c1)[*:1] O=C(Cn1ncnc1[*:1])c1ccc2ccccc2c1
Cc1nc(C)c(CCNC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)s1 Cc1n[nH]c(C)c1[*:1] Cc1nc(C)c(CCNC(=O)[C@@H](C)C[*:1])s1
Cc1nc(C)c(CCNC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)s1 Cc1nc(C)c(s1)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCC[*:1]
CC[C@H]1CC[C@H]([NH+]2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)C1 Cc1ccc(cc1)[*:1] CC[C@H]1CC[C@@H](C1)[NH+]1CCN(CCNS(=O)(=O)[*:1])CC1
O=C1CC[C@@H](C[NH2+]Cc2cncn2C2CC2)N1 C1CC1[*:1] O=C1CC[C@@H](C[NH2+]Cc2cncn2[*:1])N1
O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)N1CCN(c2cccc[nH+]2)CC1 Clc1ccc(cc1)OC[*:1] O=C(CSc1nc(n[nH]1)[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)N1CCN(c2cccc[nH+]2)CC1 Clc1ccc(cc1)O[*:1] O=C(CSc1nc(C[*:1])n[nH]1)N1CCN(CC1)c1cccc[nH+]1
O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)N1CCN(c2cccc[nH+]2)CC1 Clc1ccc(cc1)[*:1] O=C(CSc1nc(CO[*:1])n[nH]1)N1CCN(CC1)c1cccc[nH+]1
Cc1ccc(S(C)(=O)=O)cc1NCC(=O)Nc1cc2c(cc1Cl)OCCO2 CS(=O)(=O)[*:1] Cc1ccc(cc1NCC(=O)Nc1cc2OCCOc2cc1Cl)[*:1]
Cc1cccc(C(C)C)c1NC(=O)N[C@@H](Cc1ccccc1)C(N)=O CC(C)[*:1] Cc1cccc(c1NC(=O)N[C@@H](Cc1ccccc1)C(N)=O)[*:1]
Cc1cccc(C(C)C)c1NC(=O)N[C@@H](Cc1ccccc1)C(N)=O NC(=O)[*:1] Cc1cccc(c1NC(=O)N[C@@H](Cc1ccccc1)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)N[C@@H](Cc1ccccc1)C(N)=O c1ccc(cc1)[*:1] Cc1cccc(c1NC(=O)N[C@@H](C[*:1])C(N)=O)C(C)C
Cc1cccc(C(C)C)c1NC(=O)N[C@@H](Cc1ccccc1)C(N)=O c1ccc(cc1)C[*:1] Cc1cccc(c1NC(=O)N[C@@H](C(N)=O)[*:1])C(C)C
COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C)c2C)cc1OC Cc1cccc(c1C)[*:1] COc1ccc(cc1OC)[C@H](C)[NH2+][C@H](C)C(=O)N[*:1]
O=C(c1cc(F)cc(F)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 OCCC[*:1] O=C(c1cc(F)cc(F)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2[*:1])C1
O=C(c1cc(F)cc(F)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 Fc1cc(F)cc(c1)[*:1] O=C1CC[C@H]2CN(CC[C@H]2N1CCCO)C(=O)[*:1]
O=C(c1cc(F)cc(F)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 OCC[*:1] O=C(c1cc(F)cc(F)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C[*:1])C1
NC(=O)[C@H](NC(=O)NCC1CCCCCCC1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](NC(=O)NCC1CCCCCCC1)[*:1]
NC(=O)[C@H](NC(=O)NCC1CCCCCCC1)c1ccccc1 NC(=O)[*:1] O=C(NCC1CCCCCCC1)N[C@H](c1ccccc1)[*:1]
COc1ccc(CCNC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)CCNC(=O)Cn1nc(ccc1=O)[*:1]
COc1ccc(CCNC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1ccc(=O)n(CC(=O)NCC[*:1])n1
COc1ccc(CCNC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1C)-c1ccc(=O)n(CC(=O)NC[*:1])n1
CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(CNC(C)=O)cc2)CC1 CC(=O)NC[*:1] CC[NH+]1CCN(CC1)[C@@H](C)CNC(=O)c1ccc(cc1)[*:1]
CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(CNC(C)=O)cc2)CC1 CC(=O)N[*:1] CC[NH+]1CCN(CC1)[C@@H](C)CNC(=O)c1ccc(cc1)C[*:1]
CCNc1n[nH+]c(-c2cc(OC)cc(OC)c2)c(C)c1C CCN[*:1] COc1cc(cc(c1)-c1[nH+]nc(c(C)c1C)[*:1])OC
Cc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](NC(=O)C(C)C)C1 CC(C)C(=O)N[*:1] Cc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](NC(=O)C(C)C)C1 Cc1ccc(F)cc1[*:1] CC(C)C(=O)N[C@H]1CCCN(C1)C(=O)C(=O)N[*:1]
Cc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](NC(=O)C(C)C)C1 CC(C)[*:1] Cc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H](C1)NC(=O)[*:1]
C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 CC(C)(C)[*:1] C[C@@H](C(=O)NC(=O)N[*:1])[NH+]1CCN(CC1)c1ccc(F)cc1
C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN(CC1)[*:1]
CN(C)[C@H](C(=O)N1CCN(c2cccnc2)CC1)c1ccccc1F c1cncc(c1)[*:1] CN(C)[C@H](C(=O)N1CCN(CC1)[*:1])c1ccccc1F
CN(C)[C@H](C(=O)N1CCN(c2cccnc2)CC1)c1ccccc1F Fc1ccccc1[*:1] CN(C)[C@H](C(=O)N1CCN(CC1)c1cccnc1)[*:1]
CN(C)[C@H](C(=O)N1CCN(c2cccnc2)CC1)c1ccccc1F CN(C)[*:1] O=C([C@H](c1ccccc1F)[*:1])N1CCN(CC1)c1cccnc1
CCCNC(=O)NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 CCC[*:1] O=C(CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)NC(=O)N[*:1]
CCCNC(=O)NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] CCCNC(=O)NC(=O)CN1CCN(CC1)c1ccc(cn1)[*:1]
CCOC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 CCOC(=O)[*:1] Cc1ccc(cc1)[C@H]1[C@H]2C(=O)N(C(=O)[C@@H]2[C@@]2(C[*:1])C(=O)NCCN12)c1ccc(C)cc1
CCOC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 Cc1ccc(cc1)[*:1] CCOC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccc(C)cc1)[C@H]1C(=O)N(C(=O)[C@@H]12)[*:1]
CCOC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 CCOC(=O)C[*:1] Cc1ccc(cc1)[C@H]1[C@H]2C(=O)N(C(=O)[C@@H]2[C@@]2(C(=O)NCCN12)[*:1])c1ccc(C)cc1
CCOC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 Cc1ccc(cc1)[*:1] CCOC(=O)C[C@]12C(=O)NCCN1[C@@H]([C@H]1C(=O)N(C(=O)[C@@H]12)c1ccc(C)cc1)[*:1]
CCc1ncc(S(=O)(=O)NCc2ccc(C(=O)[O-])o2)[nH]1 O=C([O-])[*:1] CCc1ncc([nH]1)S(=O)(=O)NCc1ccc(o1)[*:1]
O=C([O-])[C@H](CO)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl O=C([O-])[*:1] O=S(=O)(N[C@@H](CO)[*:1])c1c(Cl)cc(Cl)cc1Cl
CC(=O)OC1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 CC(=O)O[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N1CCC(CC1)[*:1]
C[C@H](Cc1cccs1)N[C@@H]1CCCc2cccnc21 c1csc(c1)[*:1] C[C@H](C[*:1])N[C@@H]1CCCc2cccnc21
C[C@H](Cc1cccs1)N[C@@H]1CCCc2cccnc21 c1csc(c1)C[*:1] C[C@H](N[C@@H]1CCCc2cccnc21)[*:1]
Cc1ccccc1CNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] Cc1ccccc1CNC(=O)[C@H](C)N(S(C)(=O)=O)[*:1]
Cc1ccccc1CNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O Cc1ccccc1[*:1] C[C@@H](C(=O)NC[*:1])N(c1ccccc1)S(C)(=O)=O
Cc1ccccc1CNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O Cc1ccccc1C[*:1] C[C@@H](C(=O)N[*:1])N(c1ccccc1)S(C)(=O)=O
O=C(NCCc1ccccc1Cl)[C@H]1CCCN(c2nc3cccnc3s2)C1 Clc1ccccc1C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nc2cccnc2s1
O=C(NCCc1ccccc1Cl)[C@H]1CCCN(c2nc3cccnc3s2)C1 Clc1ccccc1CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2cccnc2s1
O=C(NCCc1ccccc1Cl)[C@H]1CCCN(c2nc3cccnc3s2)C1 c1cnc2sc(nc2c1)[*:1] O=C(NCCc1ccccc1Cl)[C@H]1CCCN(C1)[*:1]
O=C(NCCc1ccccc1Cl)[C@H]1CCCN(c2nc3cccnc3s2)C1 Clc1ccccc1[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)c1nc2cccnc2s1
C[C@H](c1ccco1)N(C)C(=O)NCCc1csc(-c2ccccc2)n1 c1coc(c1)[*:1] C[C@H](N(C)C(=O)NCCc1csc(n1)-c1ccccc1)[*:1]
C[C@H](c1ccco1)N(C)C(=O)NCCc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](c1ccco1)N(C)C(=O)NCCc1csc(n1)[*:1]
O=C(NC(=O)C1CCN(c2[nH+]cccc2[N+](=O)[O-])CC1)Nc1ccccc1 O=[N+]([O-])[*:1] O=C(NC(=O)C1CCN(CC1)c1[nH+]cccc1[*:1])Nc1ccccc1
O=C(NC(=O)C1CCN(c2[nH+]cccc2[N+](=O)[O-])CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC(=O)C1CCN(CC1)c1[nH+]cccc1[N+](=O)[O-])N[*:1]
CCC[C@H]1C[C@@](O)(C2(C#N)CCCC2)CCO1 CCC[*:1] N#CC1(CCCC1)[C@@]1(O)CCO[C@H](C1)[*:1]
CC[C@](C)(NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NS(=O)(=O)c1ccc(OC)c(F)c1)[*:1]
CN(C(=O)C[C@](C)(C(=O)[O-])c1ccccc1)[C@@H]1CCSC1 O=C([O-])[*:1] CN(C(=O)C[C@](C)(c1ccccc1)[*:1])[C@@H]1CCSC1
CN(C(=O)C[C@](C)(C(=O)[O-])c1ccccc1)[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] CN(C(=O)C[C@](C)(C(=O)[O-])c1ccccc1)[*:1]
CN(C(=O)C[C@](C)(C(=O)[O-])c1ccccc1)[C@@H]1CCSC1 c1ccc(cc1)[*:1] CN(C(=O)C[C@](C)(C(=O)[O-])[*:1])[C@@H]1CCSC1
CC(=O)c1cccc(Oc2cc(C)cc(C)c2C)c1 CC(=O)[*:1] Cc1cc(C)c(C)c(c1)Oc1cccc(c1)[*:1]
Cc1nc(N2CCOCC2)ncc1C(=O)N[C@H](C)c1ccc(Cl)cc1 C1CN(CCO1)[*:1] Cc1nc(ncc1C(=O)N[C@H](C)c1ccc(Cl)cc1)[*:1]
Cc1nc(N2CCOCC2)ncc1C(=O)N[C@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)N[C@H](C)[*:1])N1CCOCC1
CS(=O)(=O)NCCNC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1 CS(=O)(=O)NCC[*:1] O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)N[*:1]
CS(=O)(=O)NCCNC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1 CS(=O)(=O)N[*:1] O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)NCC[*:1]
CS(=O)(=O)NCCNC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1 CS(=O)(=O)NC[*:1] O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)NC[*:1]
O=c1cc(C(F)(F)F)nc(NCCc2cccnc2)[nH]1 FC(F)(F)[*:1] O=c1cc(nc(NCCc2cccnc2)[nH]1)[*:1]
O=c1cc(C(F)(F)F)nc(NCCc2cccnc2)[nH]1 c1cncc(c1)[*:1] O=c1cc(nc(NCC[*:1])[nH]1)C(F)(F)F
Cc1occc1C(=O)N(CCC(F)(F)F)C1CCCCC1 FC(F)(F)C[*:1] Cc1occc1C(=O)N(C[*:1])C1CCCCC1
Cc1occc1C(=O)N(CCC(F)(F)F)C1CCCCC1 FC(F)(F)[*:1] Cc1occc1C(=O)N(CC[*:1])C1CCCCC1
Cc1occc1C(=O)N(CCC(F)(F)F)C1CCCCC1 C1CCC(CC1)[*:1] Cc1occc1C(=O)N(CCC(F)(F)F)[*:1]
Cc1occc1C(=O)N(CCC(F)(F)F)C1CCCCC1 FC(F)(F)CC[*:1] Cc1occc1C(=O)N(C1CCCCC1)[*:1]
Cc1occc1C(=O)N(CCC(F)(F)F)C1CCCCC1 Cc1occc1[*:1] O=C(N(CCC(F)(F)F)C1CCCCC1)[*:1]
CN(C)C(=O)c1ccc(N[C@H]2CCC[C@@]2(C)CO)nc1 CN(C)C(=O)[*:1] C[C@@]1(CO)CCC[C@@H]1Nc1ccc(cn1)[*:1]
FC(F)Oc1ccc(Br)cc1CNC[C@@H]1COc2ccccc2O1 FC(F)O[*:1] Brc1ccc(c(c1)CNC[C@@H]1COc2ccccc2O1)[*:1]
FC(F)Oc1ccc(Br)cc1CNC[C@@H]1COc2ccccc2O1 FC(F)[*:1] Brc1ccc(O[*:1])c(c1)CNC[C@@H]1COc2ccccc2O1
CC(C)C[C@H](NC(=O)Cc1cn2c(nc1=O)SCC2)C(=O)NC1CC1 C1CC1[*:1] CC(C)C[C@H](NC(=O)Cc1cn2CCSc2nc1=O)C(=O)N[*:1]
CC(C)C[C@H](NC(=O)Cc1cn2c(nc1=O)SCC2)C(=O)NC1CC1 CC(C)C[*:1] O=C(Cc1cn2CCSc2nc1=O)N[C@H](C(=O)NC1CC1)[*:1]
CC(C)C[C@H](NC(=O)Cc1cn2c(nc1=O)SCC2)C(=O)NC1CC1 CC(C)[*:1] O=C(Cc1cn2CCSc2nc1=O)N[C@@H](C[*:1])C(=O)NC1CC1
CC(C)C[C@H](NC(=O)Cc1cn2c(nc1=O)SCC2)C(=O)NC1CC1 O=C(NC1CC1)[*:1] CC(C)C[C@H](NC(=O)Cc1cn2CCSc2nc1=O)[*:1]
CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)[C@H]1c1ccccc1 c1ccc(nc1)[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)N[*:1])[C@H]1c1ccccc1
CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)[C@@H]1[*:1]
CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)[C@H]1c1ccccc1 O=C(Nc1ccccn1)[*:1] CN1C(=O)c2ccccc2[C@H]([C@H]1c1ccccc1)[*:1]
COc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1C(=O)[O-] O=C([O-])[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1
O=C(NC1CCCCC1)c1cc(F)c(F)c(F)c1F C1CCC(CC1)[*:1] O=C(N[*:1])c1cc(F)c(F)c(F)c1F
Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n[nH]2)c(O)c1C Cc1ccc(c(O)c1C)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc([nH]n1)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n[nH]2)c(O)c1C CC1CCN(CC1)S(=O)(=O)[*:1] Cc1ccc(-c2cc(n[nH]2)C(=O)Nc2ccc(cc2)[*:1])c(O)c1C
CCOc1ccc(Nc2ncnc(N)c2N)cc1 CCO[*:1] Nc1ncnc(Nc2ccc(cc2)[*:1])c1N
CN(C)C(=O)c1ccc(NC[C@@H]2CC[C@@H](C(=O)[O-])O2)nn1 O=C([O-])[*:1] CN(C)C(=O)c1ccc(nn1)NC[C@@H]1CC[C@@H](O1)[*:1]
CN(C)C(=O)c1ccc(NC[C@@H]2CC[C@@H](C(=O)[O-])O2)nn1 CN(C)C(=O)[*:1] O=C([O-])[C@@H]1CC[C@@H](CNc2ccc(nn2)[*:1])O1
CCc1noc(CC)c1CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] CCc1noc(CC)c1CC(=O)N[C@@H](c1ccc2OCCOc2c1)[*:1]
CCc1noc(CC)c1CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 CCc1noc(CC)c1[*:1] O=C(C[*:1])N[C@@H](c1ccc2OCCOc2c1)C1CC1
CCc1cccc2c(C(=O)C(N)=O)c[nH]c12 NC(=O)C(=O)[*:1] CCc1cccc2c(c[nH]c12)[*:1]
C=CCNC(=O)c1c(NC(=O)[C@]2(C)Sc3ccccc3N(C)C2=O)sc2c1CCCC2 C=CCNC(=O)[*:1] CN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)Nc1sc2CCCCc2c1[*:1]
C=CCNC(=O)c1c(NC(=O)[C@]2(C)Sc3ccccc3N(C)C2=O)sc2c1CCCC2 C=CC[*:1] CN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)Nc1sc2CCCCc2c1C(=O)N[*:1]
Clc1ccc(Cl)c(-c2csc(CN3CCOCC3)n2)c1 C1CN(CCO1)[*:1] Clc1ccc(Cl)c(c1)-c1csc(C[*:1])n1
CCCc1nc(C(=O)N2CCO[C@H]3CCCC[C@H]32)n[nH]1 CCC[*:1] O=C(c1n[nH]c(n1)[*:1])N1CCO[C@H]2CCCC[C@H]21
O=C1[C@H]2CCCC[C@@H]2C(=O)N1CC(=O)N1CCC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2CCCC[C@@H]2C(=O)N1CC(=O)N1CCC[C@H]1[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)cc1 c1csc(n1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)C(=O)Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)-c1nccs1)[*:1]
Cc1ccc(NC(=O)OC(C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)OC(C)C
Cc1ccc(NC(=O)OC(C)C)cc1[N+](=O)[O-] CC(C)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)O[*:1]
CCOC(=O)C1=C(CNc2ccc(Cl)cc2Cl)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 CCOC(=O)[*:1] O=C1NC(CNc2ccc(Cl)cc2Cl)=C([C@H](N1)c1ccc2OCOc2c1)[*:1]
CCOC(=O)C1=C(CNc2ccc(Cl)cc2Cl)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 Clc1ccc(c(Cl)c1)[*:1] CCOC(=O)C1=C(CN[*:1])NC(=O)N[C@@H]1c1ccc2OCOc2c1
CCOC(=O)C1=C(CNc2ccc(Cl)cc2Cl)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 Clc1ccc(N[*:1])c(Cl)c1 CCOC(=O)C1=C(C[*:1])NC(=O)N[C@@H]1c1ccc2OCOc2c1
CCOC(=O)C1=C(CNc2ccc(Cl)cc2Cl)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CCOC(=O)C1=C(CNc2ccc(Cl)cc2Cl)NC(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(CNc2ccc(Cl)cc2Cl)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 Clc1ccc(NC[*:1])c(Cl)c1 CCOC(=O)C1=C(NC(=O)N[C@@H]1c1ccc2OCOc2c1)[*:1]
Cc1ccc(OC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)OC(=O)[C@@H]1CC(=O)N(C)[C@H]1[*:1]
Cc1ccc(OC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](C(=O)O[*:1])[C@H]1c1cccnc1
CC(=O)Oc1ccc(C(=O)c2cc(F)cc(F)c2)cc1 CC(=O)O[*:1] O=C(c1ccc(cc1)[*:1])c1cc(F)cc(F)c1
NC(=O)[C@@H](Cl)c1ccc(C2CC2)cc1 NC(=O)[*:1] Cl[C@@H](c1ccc(cc1)C1CC1)[*:1]
NC(=O)[C@@H](Cl)c1ccc(C2CC2)cc1 C1CC1[*:1] NC(=O)[C@@H](Cl)c1ccc(cc1)[*:1]
COc1cccc(-n2c(O)c(/C=N/CCC[NH+]3CCOCC3)c(=O)[nH]c2=S)c1 COc1cccc(c1)[*:1] O=c1[nH]c(=S)n(c(O)c1/C=N/CCC[NH+]1CCOCC1)[*:1]
N#Cc1ccc(OC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1 N#Cc1ccc(cc1)[*:1] O=C(O[*:1])c1ccc(=O)n(n1)-c1ccccc1
N#Cc1ccc(OC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)OC(=O)c1ccc(=O)n(n1)[*:1]
Cc1cc(NCC(=O)N(Cc2ccccc2)C(C)C)c(C(N)=O)cc1F CC(C)[*:1] Cc1cc(NCC(=O)N(Cc2ccccc2)[*:1])c(cc1F)C(N)=O
Cc1cc(NCC(=O)N(Cc2ccccc2)C(C)C)c(C(N)=O)cc1F c1ccc(cc1)[*:1] Cc1cc(NCC(=O)N(C[*:1])C(C)C)c(cc1F)C(N)=O
Cc1cc(NCC(=O)N(Cc2ccccc2)C(C)C)c(C(N)=O)cc1F c1ccc(cc1)C[*:1] Cc1cc(NCC(=O)N(C(C)C)[*:1])c(cc1F)C(N)=O
Cc1cc(NCC(=O)N(Cc2ccccc2)C(C)C)c(C(N)=O)cc1F NC(=O)[*:1] Cc1cc(NCC(=O)N(Cc2ccccc2)C(C)C)c(cc1F)[*:1]
CC(C)(C)[NH2+]C/C=C/[C@@H]1CCC=CO1 CC(C)(C)[*:1] C1=CO[C@H](/C=C/C[NH2+][*:1])CC1
CC[C@H](c1ccc(F)cc1F)S(=O)(=O)CCO OCC[*:1] CC[C@H](c1ccc(F)cc1F)S(=O)(=O)[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)COCCc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)COCC[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)COCCc2ccccc2)o1 c1ccc(cc1)C[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)COC[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)COCCc2ccccc2)o1 Cc1ccc(o1)[*:1] O=C(COCCc1ccccc1)N1CCSC[C@@H]1[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)COCCc2ccccc2)o1 c1ccc(cc1)CC[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)CO[*:1]
SCCCCCOC1CCOCC1 SCCC[*:1] C1CC(CCO1)OCC[*:1]
SCCCCCOC1CCOCC1 SCC[*:1] C(COC1CCOCC1)C[*:1]
O=C(NCCc1cccs1)NCC[S@@](=O)c1ccccc1F c1csc(c1)CC[*:1] O=C(NCC[S@@](=O)c1ccccc1F)N[*:1]
O=C(NCCc1cccs1)NCC[S@@](=O)c1ccccc1F c1csc(c1)[*:1] O=C(NCC[S@@](=O)c1ccccc1F)NCC[*:1]
O=C(NCCc1cccs1)NCC[S@@](=O)c1ccccc1F c1csc(c1)C[*:1] O=C(NCC[S@@](=O)c1ccccc1F)NC[*:1]
O=C(NCCc1cccs1)NCC[S@@](=O)c1ccccc1F Fc1ccccc1[*:1] O=C(NCCc1cccs1)NCC[S@@](=O)[*:1]
COc1ncccc1CNC(=O)NNc1ccccc1Cl Clc1ccccc1[*:1] COc1ncccc1CNC(=O)NN[*:1]
C[C@H]1CC[C@H](C)N(C(=O)c2cc(C(C)(C)C)nn2C)C1 CC(C)(C)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)c1cc(nn1C)[*:1]
COc1ccc(C(=O)NCC(=O)Nc2ccccc2)nn1 c1ccc(cc1)[*:1] COc1ccc(nn1)C(=O)NCC(=O)N[*:1]
O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=C(c1ccc(F)cc1F)N(Cc1ccccc1)c1cccc(c1)[*:1]
O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c1)N1CCOCC1 c1ccc(cc1)C[*:1] O=C(Cc1cccc(c1)N(C(=O)c1ccc(F)cc1F)[*:1])N1CCOCC1
O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(c1ccc(F)cc1F)N(Cc1ccccc1)c1cccc(c1)C[*:1]
O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c1)N1CCOCC1 Fc1ccc(c(F)c1)[*:1] O=C(Cc1cccc(c1)N(Cc1ccccc1)C(=O)[*:1])N1CCOCC1
O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(Cc1cccc(c1)N(C[*:1])C(=O)c1ccc(F)cc1F)N1CCOCC1
Cn1ncnc1/N=C(\[O-])N1CCCC[C@H]1CN1CCCC1=O Cn1ncnc1[*:1] O=C1CCCN1C[C@@H]1CCCCN1C([O-])=N[*:1]
Cn1ncnc1/N=C(\[O-])N1CCCC[C@H]1CN1CCCC1=O O=C1CCCN1[*:1] Cn1ncnc1/N=C(\[O-])N1CCCC[C@H]1C[*:1]
Cn1ncnc1/N=C(\[O-])N1CCCC[C@H]1CN1CCCC1=O O=C1CCCN1C[*:1] Cn1ncnc1/N=C(\[O-])N1CCCC[C@@H]1[*:1]
CCNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)c1 c1ccc(cc1)[*:1] CCNC(=O)c1cccc(c1)C[NH2+]Cc1ccc(cc1)[*:1]
CCNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)c1 CCNC(=O)[*:1] c1ccc(cc1)-c1ccc(cc1)C[NH2+]Cc1cccc(c1)[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)o1 Cc1ccc(o1)[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NC[C@@](C)(O)[*:1]
CCO[C@@H](C)C(=O)O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CCO[C@@H](C)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)OC(=O)[*:1]
CCO[C@@H](C)C(=O)O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CCO[*:1] C[C@@H](C(=O)O[C@@H]1CCCN(C1)C(=O)OC(C)(C)C)[*:1]
CCO[C@@H](C)C(=O)O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CCO[C@@H](C)C(=O)O[C@@H]1CCCN(C1)C(=O)O[*:1]
CCN1CCN(CC(=O)N(CCc2ccccc2)c2ccccc2)C(=O)C1=O c1ccc(cc1)CC[*:1] CCN1CCN(CC(=O)N(c2ccccc2)[*:1])C(=O)C1=O
CCN1CCN(CC(=O)N(CCc2ccccc2)c2ccccc2)C(=O)C1=O c1ccc(cc1)[*:1] CCN1CCN(CC(=O)N(CC[*:1])c2ccccc2)C(=O)C1=O
CCN1CCN(CC(=O)N(CCc2ccccc2)c2ccccc2)C(=O)C1=O c1ccc(cc1)C[*:1] CCN1CCN(CC(=O)N(C[*:1])c2ccccc2)C(=O)C1=O
CCN1CCN(CC(=O)N(CCc2ccccc2)c2ccccc2)C(=O)C1=O c1ccc(cc1)[*:1] CCN1CCN(CC(=O)N(CCc2ccccc2)[*:1])C(=O)C1=O
O=c1cc(-c2ccccc2)cc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=c1cc(cc(o1)[*:1])-c1ccccc1
O=c1cc(-c2ccccc2)cc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=c1cc(cc(o1)-c1ccccc1)[*:1]
CNC(=S)N(Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O c1ccc(cc1)C[*:1] CNC(=S)N(Cc1cc2ccc(cc2[nH]c1=O)OC)[*:1]
CNC(=S)N(Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O c1ccc(cc1)[*:1] CNC(=S)N(Cc1cc2ccc(cc2[nH]c1=O)OC)C[*:1]
CCO[C@H](C)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 NC(=O)[*:1] CCO[C@H](C)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
CCO[C@H](C)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 CCO[*:1] C[C@H](C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)[*:1]
CCO[C@H](C)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 CCO[C@H](C)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)[*:1]
C[C@@H](CNC(=O)c1ccn(-c2ccc(F)cc2)n1)Cn1cccn1 c1cnn(c1)C[*:1] C[C@@H](CNC(=O)c1ccn(n1)-c1ccc(F)cc1)[*:1]
C[C@@H](CNC(=O)c1ccn(-c2ccc(F)cc2)n1)Cn1cccn1 c1cnn(c1)[*:1] C[C@@H](CNC(=O)c1ccn(n1)-c1ccc(F)cc1)C[*:1]
C[C@@H](CNC(=O)c1ccn(-c2ccc(F)cc2)n1)Cn1cccn1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1ccn(n1)[*:1])Cn1cccn1
O=C(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3o2)CC1 O=C(c1ccccc1)[*:1] O=C(c1cc2ccccc2o1)N1CCC(CC1)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3o2)CC1 c1ccc(cc1)[*:1] O=C(c1cc2ccccc2o1)N1CCC(CC1)C(=O)[*:1]
CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 CC(=O)c1cccc(c1)[*:1] O=C(CSc1nnc(o1)-c1ccccc1[N+](=O)[O-])N[*:1]
CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 CC(=O)[*:1] O=C(CSc1nnc(o1)-c1ccccc1[N+](=O)[O-])Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 O=[N+]([O-])c1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=O)CSc1nnc(o1)[*:1]
CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 O=[N+]([O-])[*:1] CC(=O)c1cccc(c1)NC(=O)CSc1nnc(o1)-c1ccccc1[*:1]
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NNC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)NNC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 Cc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1nnc(s1)[*:1]
COc1ccc(Cl)cc1Nc1ncnc2sc(C(=O)[O-])c(C)c12 O=C([O-])[*:1] COc1ccc(Cl)cc1Nc1ncnc2sc(c(C)c12)[*:1]
CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)C[C@H](O)c1ccccc1 CC(C)CCNC(=O)[*:1] O=C(C[C@H](O)c1ccccc1)N1CSC[C@H]1[*:1]
CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)C[C@H](O)[*:1]
CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)C[*:1]
CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)C[C@H](O)c1ccccc1 CC(C)[*:1] O=C(NCC[*:1])[C@@H]1CSCN1C(=O)C[C@H](O)c1ccccc1
CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)C[C@H](O)c1ccccc1 CC(C)C[*:1] O=C(NC[*:1])[C@@H]1CSCN1C(=O)C[C@H](O)c1ccccc1
CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)C[C@H](O)c1ccccc1 CC(C)CC[*:1] O=C(N[*:1])[C@@H]1CSCN1C(=O)C[C@H](O)c1ccccc1
CCC[C@H]1CCCN(c2cccc(F)c2C[NH3+])CC1 CCC[*:1] [NH3+]Cc1c(F)cccc1N1CCC[C@@H](CC1)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)c1 C1CCC(CC1)[*:1] CC(C)C(=O)Nc1cccc(c1)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CC(C)C(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)c1 CC(C)C(=O)N[*:1] O=C(NCC1CCCCC1)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)c1 O=C(NCC1CCCCC1)[*:1] CC(C)C(=O)Nc1cccc(c1)C(=O)N1CCC[C@@H](C1)[*:1]
CC(C)C(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)c1 C1CCC(CC1)C[*:1] CC(C)C(=O)Nc1cccc(c1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC(C)C(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)c1 CC(C)[*:1] O=C(NCC1CCCCC1)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)NC(=O)[*:1]
CCCN(CCC)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1 CCC[*:1] CCCN(S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1)[*:1]
C[NH2+][C@@H](C)[C@@H](C)c1cc(C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[NH2+][C@@H](C)[C@@H](C)c1cc(C)ccc1[*:1]
O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)Nc1nccs1 O=C(C[*:1])Nc1nccs1 O=c1nc(S[*:1])c2CCCCc2n1C[C@@H]1CCCO1
O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)Nc1nccs1 C1CO[C@@H](C1)C[*:1] O=C(CSc1nc(=O)n(c2CCCCc12)[*:1])Nc1nccs1
O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)Nc1nccs1 c1csc(n1)[*:1] O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2CCCCc12)N[*:1]
O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)Nc1nccs1 O=C(Nc1nccs1)[*:1] O=c1nc(SC[*:1])c2CCCCc2n1C[C@@H]1CCCO1
CN(Cc1ccc(F)cc1)C(=O)CS(=O)(=O)Cc1ccccc1Cl Fc1ccc(cc1)C[*:1] CN(C(=O)CS(=O)(=O)Cc1ccccc1Cl)[*:1]
CN(Cc1ccc(F)cc1)C(=O)CS(=O)(=O)Cc1ccccc1Cl Clc1ccccc1C[*:1] CN(Cc1ccc(F)cc1)C(=O)CS(=O)(=O)[*:1]
CN(Cc1ccc(F)cc1)C(=O)CS(=O)(=O)Cc1ccccc1Cl Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)CS(=O)(=O)Cc1ccccc1Cl
CN(Cc1ccc(F)cc1)C(=O)CS(=O)(=O)Cc1ccccc1Cl Clc1ccccc1[*:1] CN(Cc1ccc(F)cc1)C(=O)CS(=O)(=O)C[*:1]
COCCCc1nnc([C@@H](C)Cl)s1 COC[*:1] C[C@@H](Cl)c1nnc(CC[*:1])s1
COCCCc1nnc([C@@H](C)Cl)s1 C[C@@H](Cl)[*:1] COCCCc1nnc(s1)[*:1]
COCCCc1nnc([C@@H](C)Cl)s1 COCC[*:1] C[C@@H](Cl)c1nnc(C[*:1])s1
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)[O-])c1 O=C([O-])[*:1] C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)[*:1]
C[NH2+][C@@H](C1CC1)C1(N2CCOCC2)CCCC1 C1CC1[*:1] C[NH2+][C@@H](C1(CCCC1)N1CCOCC1)[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCCCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1CCC(=O)N1C[*:1])N1CCCCCCC1
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCCCCCC2)cc1 Cc1ccc(cc1)C[*:1] O=C([C@@H]1CCC(=O)N1[*:1])N1CCCCCCC1
C[C@@H](C(=O)NCCCSc1ccc(F)cc1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)NCCCSc1ccc(F)cc1)[*:1]
C[C@@H](C(=O)NCCCSc1ccc(F)cc1)n1cncn1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NCCCS[*:1])n1cncn1
CN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2c(Cl)nc3ccccn23)c1 CN(C)S(=O)(=O)[*:1] O=C(/C=C/c1c(Cl)nc2ccccn12)Nc1cccc(c1)[*:1]
CC[C@@H]1CCCC[C@H]1NC(=O)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)Nc1nnc(s1)[*:1]
CS(=O)(=O)N1CCC(C(=O)NCc2ccccc2OC2CCCC2)CC1 C1CCC(C1)O[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1[*:1]
CS(=O)(=O)N1CCC(C(=O)NCc2ccccc2OC2CCCC2)CC1 C1CCC(C1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1O[*:1]
CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2)C(C(=O)NCc2ccccc2)=C(C)N1 c1ccc(cc1)C[*:1] CC1NC(C)=C(C(=O)N[*:1])C(C=1C(=O)NCc1ccccc1)c1ccccc1
CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2)C(C(=O)NCc2ccccc2)=C(C)N1 O=C(NCc1ccccc1)[*:1] CC1NC(C)=C(C(C=1C(=O)NCc1ccccc1)c1ccccc1)[*:1]
CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2)C(C(=O)NCc2ccccc2)=C(C)N1 c1ccc(cc1)[*:1] CC1NC(C)=C(C(=O)NCc2ccccc2)C(C=1C(=O)NCc1ccccc1)[*:1]
CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2)C(C(=O)NCc2ccccc2)=C(C)N1 c1ccc(cc1)[*:1] CC1NC(C)=C(C(=O)NC[*:1])C(C=1C(=O)NCc1ccccc1)c1ccccc1
Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc(cc1)OC(F)(F)F
Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1ccncc1 FC(F)(F)O[*:1] Cc1c(cnn1-c1ccncc1)C(=O)Nc1ccc(cc1)[*:1]
Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1ccncc1 FC(F)(F)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)Nc1ccc(cc1)O[*:1]
C=CC[C@H](C)[C@@H](C)[NH2+]CC1(OC)CCOCC1 C=CC[C@H](C)[*:1] COC1(CCOCC1)C[NH2+][C@H](C)[*:1]
C=CC[C@H](C)[C@@H](C)[NH2+]CC1(OC)CCOCC1 C=CC[*:1] COC1(CCOCC1)C[NH2+][C@H](C)[C@@H](C)[*:1]
COC(=O)[C@@H]1CN(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1C(=O)OC COC(=O)[*:1] COC(=O)[C@@H]1CN(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1[*:1]
COC(=O)[C@@H]1CN(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1C(=O)OC c1ccc(cc1)[*:1] COC(=O)[C@@H]1CN([C@H](C(=O)c2ccccc2)[C@@H]1C(=O)OC)[*:1]
COC(=O)[C@@H]1CN(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1C(=O)OC COC(=O)[*:1] COC(=O)[C@H]1[C@@H](C(=O)c2ccccc2)N(C[C@H]1[*:1])c1ccccc1
COC(=O)[C@@H]1CN(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1C(=O)OC c1ccc(cc1)[*:1] COC(=O)[C@@H]1CN(c2ccccc2)[C@H](C(=O)[*:1])[C@@H]1C(=O)OC
COC(=O)[C@@H]1CN(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1C(=O)OC O=C(c1ccccc1)[*:1] COC(=O)[C@@H]1CN(c2ccccc2)[C@H]([C@@H]1C(=O)OC)[*:1]
C=CCn1c(SCc2ccc(C)cc2)nc2ccccc2c1=O Cc1ccc(cc1)[*:1] C=CCn1c(nc2ccccc2c1=O)SC[*:1]
C=CCn1c(SCc2ccc(C)cc2)nc2ccccc2c1=O C=CC[*:1] Cc1ccc(cc1)CSc1nc2ccccc2c(=O)n1[*:1]
COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2c(C)cc(C)cc2C)CC1=O Cc1cc(C)c(c(C)c1)[*:1] COc1ccc(Cl)cc1N1C[C@H](CC1=O)C(=O)N[*:1]
COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2c(C)cc(C)cc2C)CC1=O COc1ccc(Cl)cc1[*:1] Cc1cc(C)c(NC(=O)[C@H]2CC(=O)N(C2)[*:1])c(C)c1
Cc1nnc(S(=O)(=O)CCC2C[C@@H](C)C[C@H](C)C2)n1CC(N)=O NC(=O)[*:1] Cc1nnc(n1C[*:1])S(=O)(=O)CCC1C[C@@H](C)C[C@H](C)C1
Cc1nnc(S(=O)(=O)CCC2C[C@@H](C)C[C@H](C)C2)n1CC(N)=O NC(=O)C[*:1] Cc1nnc(n1[*:1])S(=O)(=O)CCC1C[C@@H](C)C[C@H](C)C1
CC[NH+](CC)C(CC)(CC)[C@@H](O)C1CCCC1 C1CCC(C1)[*:1] CC[NH+](CC)C(CC)(CC)[C@@H](O)[*:1]
CCc1nn2c(c1-c1ccc(OC)c(OC)c1)NC(=O)[C@@H]2CC(=O)Nc1cccc(Cl)c1Cl O=C(Nc1cccc(Cl)c1Cl)[*:1] CCc1nn2c(NC(=O)[C@@H]2C[*:1])c1-c1ccc(OC)c(c1)OC
CCc1nn2c(c1-c1ccc(OC)c(OC)c1)NC(=O)[C@@H]2CC(=O)Nc1cccc(Cl)c1Cl COc1ccc(cc1OC)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2Cl)c1[*:1]
CCc1nn2c(c1-c1ccc(OC)c(OC)c1)NC(=O)[C@@H]2CC(=O)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)N[*:1])c1-c1ccc(OC)c(c1)OC
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C(F)(F)F FC(F)(F)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1ccc(Cl)cc1
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C(F)(F)F Clc1ccc(cc1)[*:1] C=CCn1c(nnc1C(F)(F)F)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C(F)(F)F C=CC[*:1] O=C(CSc1nnc(n1[*:1])C(F)(F)F)Nc1ccc(Cl)cc1
C[C@@H]1CCC[C@]2(C1)C(=O)NC(=O)N2C[C@@H]1CN(C)CCO1 CN1CCO[C@@H](C1)[*:1] C[C@@H]1CCC[C@]2(C1)C(=O)NC(=O)N2C[*:1]
CCCCn1nnnc1Cn1nnc(-c2cccc(Cl)c2)n1 CCCC[*:1] Clc1cccc(c1)-c1nnn(Cc2nnnn2[*:1])n1
CCCCn1nnnc1Cn1nnc(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CCCCn1nnnc1Cn1nnc(n1)[*:1]
CCCCn1nnnc1Cn1nnc(-c2cccc(Cl)c2)n1 CCC[*:1] Clc1cccc(c1)-c1nnn(Cc2nnnn2C[*:1])n1
CCOc1c(CN2CCN(C(=O)[C@@H](C)O)CC2)c(C)nn1CC(C)C CC(C)[*:1] CCOc1c(CN2CCN(CC2)C(=O)[C@@H](C)O)c(C)nn1C[*:1]
CCOc1c(CN2CCN(C(=O)[C@@H](C)O)CC2)c(C)nn1CC(C)C CCO[*:1] Cc1nn(CC(C)C)c(c1CN1CCN(CC1)C(=O)[C@@H](C)O)[*:1]
CCOc1c(CN2CCN(C(=O)[C@@H](C)O)CC2)c(C)nn1CC(C)C CC(C)C[*:1] CCOc1c(CN2CCN(CC2)C(=O)[C@@H](C)O)c(C)nn1[*:1]
COc1ccccc1CNC[C@H](c1ccc(C)o1)N1CCOCC1 COc1ccccc1[*:1] Cc1ccc(o1)[C@@H](CNC[*:1])N1CCOCC1
COc1ccccc1CNC[C@H](c1ccc(C)o1)N1CCOCC1 Cc1ccc(o1)[*:1] COc1ccccc1CNC[C@H](N1CCOCC1)[*:1]
COc1ccccc1CNC[C@H](c1ccc(C)o1)N1CCOCC1 C1CN(CCO1)[*:1] COc1ccccc1CNC[C@H](c1ccc(C)o1)[*:1]
COCCc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 COCC[*:1] Cc1cc(ccc1S(=O)(=O)Oc1ccc(cc1)[*:1])[N+](=O)[O-]
COCCc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 COC[*:1] Cc1cc(ccc1S(=O)(=O)Oc1ccc(cc1)C[*:1])[N+](=O)[O-]
COCCc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 O=[N+]([O-])[*:1] COCCc1ccc(cc1)OS(=O)(=O)c1ccc(cc1C)[*:1]
Cc1nn(C)c2ncc(NC(=O)NCc3ccccc3Cn3cccn3)cc12 c1cnn(c1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)NCc1ccccc1C[*:1]
Cc1nn(C)c2ncc(NC(=O)NCc3ccccc3Cn3cccn3)cc12 c1cnn(c1)C[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)NCc1ccccc1[*:1]
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)C1CCOCC1 Fc1cccc(c1)[*:1] O=C(N[C@@H]1CCCN(C1)[*:1])C1CCOCC1
O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)C1CCOCC1 C1CC(CCO1)[*:1] O=C(N[C@@H]1CCCN(C1)c1cccc(F)c1)[*:1]
O=C([O-])/C=C/c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(C=C[*:1])cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
O=C([O-])/C=C/c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 O=C([O-])C=C[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(cc(c1)C(F)(F)F)C(F)(F)F
O=C([O-])/C=C/c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] O=C([O-])/C=C/c1ccc(cc1)NC(=O)c1cc(cc(c1)[*:1])C(F)(F)F
CC(C)c1nnc2n1CCN(C(=O)[C@@H]1Oc3ccccc3O[C@@H]1C)C2 CC(C)[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCn2c(C1)nnc2[*:1]
O=C(CNc1cccc(F)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 Fc1cccc(c1)N[*:1] O=C(C[*:1])N1CCC[C@H]1c1ccc2OCCCOc2c1
O=C(CNc1cccc(F)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 Fc1cccc(c1)[*:1] O=C(CN[*:1])N1CCC[C@H]1c1ccc2OCCCOc2c1
O=C(CNc1cccc(F)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 Fc1cccc(c1)NC[*:1] O=C(N1CCC[C@H]1c1ccc2OCCCOc2c1)[*:1]
Cn1c(=O)c2c(ncn2CC(=O)Cl)n(C)c1=O O=C(Cl)C[*:1] Cn1c(=O)c2c(ncn2[*:1])n(C)c1=O
Cn1c(=O)c2c(ncn2CC(=O)Cl)n(C)c1=O O=C(Cl)[*:1] Cn1c(=O)c2c(ncn2C[*:1])n(C)c1=O
COc1ccc(-n2nc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1nn(c(=O)c2ccccc12)[*:1]
COCc1cccc(NC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)c1 COC[*:1] COc1cc(C)c(cc1OC)[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
COc1ccc([C@H]2OC(=O)C[C@H]2C(=O)NCc2ccccc2Cl)cc1OC Clc1ccccc1C[*:1] COc1ccc(cc1OC)[C@H]1OC(=O)C[C@H]1C(=O)N[*:1]
COc1ccc([C@H]2OC(=O)C[C@H]2C(=O)NCc2ccccc2Cl)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)[C@H]1OC(=O)C[C@H]1C(=O)NC[*:1]
O=C(Cn1ncc(Cl)c(Cl)c1=O)N[C@@H](c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(Cn1ncc(Cl)c(Cl)c1=O)N[C@@H](c1cccs1)[*:1]
O=C(Cn1ncc(Cl)c(Cl)c1=O)N[C@@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] O=C(Cn1ncc(Cl)c(Cl)c1=O)N[C@@H](c1ccc(F)cc1)[*:1]
Cc1cnc([C@@H](NC(=O)N2[C@@H](C)CCC[C@H]2C)C2CC2)s1 Cc1cnc(s1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)N[C@@H](C1CC1)[*:1]
Cc1cnc([C@@H](NC(=O)N2[C@@H](C)CCC[C@H]2C)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)N1[C@@H](C)CCC[C@H]1C)[*:1]
Nc1cc(Br)ccc1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 c1cc([nH]n1)[*:1] Nc1cc(Br)ccc1C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)O1 Cc1ccsc1[*:1] C[C@H]([NH2+]C[C@H]1CC[C@@H](O1)C(N)=O)[*:1]
Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)O1 NC(=O)[*:1] Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CC[C@H](O1)[*:1]
C[NH+](C)[C@@H](CNC(=O)NNc1cccc(C#N)c1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)NNc1cccc(C#N)c1)[*:1]
C[NH+](C)[C@@H](CNC(=O)NNc1cccc(C#N)c1)c1ccccc1 N#Cc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)NN[*:1])c1ccccc1
C=CCCCOCC(=O)c1coc2ccccc12 C=CC[*:1] O=C(COCC[*:1])c1coc2ccccc12
C=CCCCOCC(=O)c1coc2ccccc12 C=CCCCO[*:1] O=C(C[*:1])c1coc2ccccc12
C=CCCCOCC(=O)c1coc2ccccc12 C=CCCC[*:1] O=C(CO[*:1])c1coc2ccccc12
C=CCCCOCC(=O)c1coc2ccccc12 C=CCC[*:1] O=C(COC[*:1])c1coc2ccccc12
C=CCCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 C=CC[*:1] CN(CC[*:1])C(=O)NCC1(CCOCC1)c1cccc(Cl)c1
C=CCCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 C=CCCC[*:1] CN(C(=O)NCC1(CCOCC1)c1cccc(Cl)c1)[*:1]
C=CCCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 C=CCC[*:1] CN(C[*:1])C(=O)NCC1(CCOCC1)c1cccc(Cl)c1
C=CCCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 Clc1cccc(c1)[*:1] C=CCCCN(C)C(=O)NCC1(CCOCC1)[*:1]
C[C@@](O)(CNC(=O)c1ccc(F)cc1Cl)C1CC1 C1CC1[*:1] C[C@@](O)(CNC(=O)c1ccc(F)cc1Cl)[*:1]
C[C@@](O)(CNC(=O)c1ccc(F)cc1Cl)C1CC1 C[C@@](O)(C1CC1)[*:1] O=C(NC[*:1])c1ccc(F)cc1Cl
C[C@@H](NC(=O)CCC1CCCCC1)c1ccc(S(N)(=O)=O)cc1 C1CCC(CC1)C[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H](NC(=O)CCC1CCCCC1)c1ccc(S(N)(=O)=O)cc1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H](NC(=O)CCC1CCCCC1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)CCC1CCCCC1)c1ccc(cc1)[*:1]
CC(C)n1cc([C@@H](C)[NH2+]Cc2ccnc(O[C@H]3CCOC3)c2)cn1 C1C[C@@H](CO1)O[*:1] CC(C)n1cc(cn1)[C@@H](C)[NH2+]Cc1ccnc(c1)[*:1]
CC(C)n1cc([C@@H](C)[NH2+]Cc2ccnc(O[C@H]3CCOC3)c2)cn1 C1C[C@@H](CO1)[*:1] CC(C)n1cc(cn1)[C@@H](C)[NH2+]Cc1ccnc(c1)O[*:1]
CC(C)n1cc([C@@H](C)[NH2+]Cc2ccnc(O[C@H]3CCOC3)c2)cn1 CC(C)n1cc(cn1)[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)O[C@H]1CCOC1)[*:1]
CC(C)n1cc([C@@H](C)[NH2+]Cc2ccnc(O[C@H]3CCOC3)c2)cn1 CC(C)[*:1] C[C@@H]([NH2+]Cc1ccnc(c1)O[C@H]1CCOC1)c1cnn(c1)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3csc(-c4cccs4)n3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(NCc1csc(n1)-c1cccs1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3csc(-c4cccs4)n3)CC2)c(C)c1 c1csc(c1)-c1nc(cs1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3csc(-c4cccs4)n3)CC2)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1csc(n1)[*:1]
CC(C)[C@@H](NC(=O)c1cccc(OCC(F)F)n1)c1ccccn1 FC(F)C[*:1] CC(C)[C@@H](NC(=O)c1cccc(n1)O[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)c1cccc(OCC(F)F)n1)c1ccccn1 FC(F)CO[*:1] CC(C)[C@@H](NC(=O)c1cccc(n1)[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)c1cccc(OCC(F)F)n1)c1ccccn1 FC(F)[*:1] CC(C)[C@@H](NC(=O)c1cccc(n1)OC[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)c1cccc(OCC(F)F)n1)c1ccccn1 CC(C)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])c1cccc(n1)OCC(F)F
CC(C)[C@@H](NC(=O)c1cccc(OCC(F)F)n1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)c1cccc(n1)OCC(F)F)[*:1]
O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNc1n[nH]c(=O)[nH]c1=O)NN=C[*:1]
COC(=O)CC[C@H]1Sc2ccccc2NC1=S COC(=O)C[*:1] S=C1Nc2ccccc2S[C@@H]1C[*:1]
COC(=O)CC[C@H]1Sc2ccccc2NC1=S COC(=O)[*:1] S=C1Nc2ccccc2S[C@@H]1CC[*:1]
CN1CCO[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)C1 O=C1CCCN1[*:1] CN1CCO[C@H](C1)C(=O)NCc1cccc(c1)C[*:1]
CN1CCO[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)C1 O=C1CCCN1C[*:1] CN1CCO[C@H](C1)C(=O)NCc1cccc(c1)[*:1]
CC[NH2+][C@H](CSc1ccncc1)c1ccccc1OC c1cc(ccn1)[*:1] CC[NH2+][C@H](CS[*:1])c1ccccc1OC
CCCn1cc(N)cc1C(=O)N(C)CC(C)(C)O CCC[*:1] CN(CC(C)(C)O)C(=O)c1cc(N)cn1[*:1]
CCCn1cc(N)cc1C(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] CCCn1cc(N)cc1C(=O)N(C)[*:1]
CCCn1cc(N)cc1C(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] CCCn1cc(N)cc1C(=O)N(C)C[*:1]
CCOc1ccc(NC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1F CCO[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1ccc(c(F)c1)[*:1]
CCC[C@]1(C)NC(=O)N(Cc2noc(-c3ccccc3)n2)C1=O c1ccc(cc1)[*:1] CCC[C@]1(C)NC(=O)N(Cc2noc(n2)[*:1])C1=O
CCC[C@]1(C)NC(=O)N(Cc2noc(-c3ccccc3)n2)C1=O CCC[*:1] C[C@@]1(NC(=O)N(Cc2noc(n2)-c2ccccc2)C1=O)[*:1]
Cn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Cn1cnnc1[*:1] O=C(CS[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
Cn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Cn1cnnc1S[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
Cn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cn1cnnc1SCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Cn1cnnc1SC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CSC[C@H](CCO)NC(=O)NCc1sccc1C OCC[*:1] CSC[C@H](NC(=O)NCc1sccc1C)[*:1]
CSC[C@H](CCO)NC(=O)NCc1sccc1C CSC[*:1] Cc1ccsc1CNC(=O)N[C@@H](CCO)[*:1]
CSC[C@H](CCO)NC(=O)NCc1sccc1C Cc1ccsc1[*:1] CSC[C@H](CCO)NC(=O)NC[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=S(=O)(N1CCN(CC1)c1ncnc2c1nnn2-c1cccc(F)c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)c(C)c1 Fc1cccc(c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
Cc1cc(C)n(CCN2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)n1 O=[N+]([O-])c1ccc(o1)[*:1] Cc1cc(C)n(CCN2CCN(CC2)C(=O)[*:1])n1
Cc1cc(C)n(CCN2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)n1 O=[N+]([O-])[*:1] Cc1cc(C)n(CCN2CCN(CC2)C(=O)c2ccc(o2)[*:1])n1
Cc1cc(C)n(CCN2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)n1 Cc1cc(C)n(C[*:1])n1 O=C(c1ccc(o1)[N+](=O)[O-])N1CCN(CC1)C[*:1]
Cc1cc(C)n(CCN2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)n1 Cc1cc(C)n(n1)[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N1CCN(CC1)CC[*:1]
CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@H]1CC=CCC1 C1CN(CCO1)[*:1] CN(C[C@H](O)C[*:1])C(=O)NC[C@H]1CC=CCC1
CN(C[C@H](O)CN1CCOCC1)C(=O)NC[C@H]1CC=CCC1 C1CN(CCO1)C[*:1] CN(C[C@H](O)[*:1])C(=O)NC[C@H]1CC=CCC1
O=C(Nc1cc(Br)ccc1-n1cccn1)c1ccc(F)cc1F c1cnn(c1)[*:1] O=C(Nc1cc(Br)ccc1[*:1])c1ccc(F)cc1F
N#Cc1ccccc1OCCCS SCCC[*:1] N#Cc1ccccc1O[*:1]
N#Cc1ccccc1OCCCS SCC[*:1] N#Cc1ccccc1OC[*:1]
NC(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] NC(=O)c1cc(ccc1Cl)[*:1]
NC(=O)c1cc([N+](=O)[O-])ccc1Cl NC(=O)[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(N(C)C)nc1 NC(=O)N[*:1] CC[C@H](C)[C@H](C(=O)Nc1ccc(nc1)N(C)C)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(N(C)C)nc1 CC[C@H](C)[*:1] CN(C)c1ccc(cn1)NC(=O)[C@@H](NC(N)=O)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(N(C)C)nc1 CN(C)[*:1] CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(nc1)[*:1]
C/C=C(/C)C(=O)NCCC(=O)Nc1ccccc1 CC=C(C)[*:1] O=C(CCNC(=O)[*:1])Nc1ccccc1
C/C=C(/C)C(=O)NCCC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C/C=C(/C)C(=O)NCCC(=O)N[*:1]
CCO[C@H](C)c1nc(CN2CCN(Cc3cnc4cnccn34)CC2)cs1 CCO[*:1] C[C@H](c1nc(cs1)CN1CCN(CC1)Cc1cnc2cnccn12)[*:1]
CCO[C@H](C)c1nc(CN2CCN(Cc3cnc4cnccn34)CC2)cs1 c1cn2c(cnc2cn1)[*:1] CCO[C@H](C)c1nc(cs1)CN1CCN(CC1)C[*:1]
CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] CC(=O)Nc1cccc(c1)C(=O)OCC(=O)N[*:1]
CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c1 CC(=O)N[*:1] O=C(COC(=O)c1cccc(c1)[*:1])Nc1ccc(F)cc1F
O=C(c1coc(Br)c1)N1CCC[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(c1coc(Br)c1)N1CCC[C@@H]1[*:1]
O=C(c1coc(Br)c1)N1CCC[C@H]1C1CCCCC1 Brc1cc(co1)[*:1] O=C(N1CCC[C@H]1C1CCCCC1)[*:1]
Cc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(C)cc2C)cc1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(cc1)C(=O)NCC(=O)N(C)C[*:1]
Cc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(C)cc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(CN(C)C(=O)CNC(=O)[*:1])c(C)c1
CCOCCCC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 CCOC[*:1] NC(=O)[C@@H]1CCN(C(=O)CC[*:1])c2ccccc21
CCOCCCC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 CCOCC[*:1] NC(=O)[C@@H]1CCN(C(=O)C[*:1])c2ccccc21
CCOCCCC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 NC(=O)[*:1] CCOCCCC(=O)N1CC[C@@H](c2ccccc21)[*:1]
CCOCCCC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 CCO[*:1] NC(=O)[C@@H]1CCN(C(=O)CCC[*:1])c2ccccc21
CCOCCCC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 CCOCCC[*:1] NC(=O)[C@@H]1CCN(C(=O)[*:1])c2ccccc21
Cc1cccc(C2=CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)c1 Cc1cccc(c1)[*:1] C[NH+]1CCC2(CC1)NC(=O)N(CN1CC=C(CC1)[*:1])C2=O
CC(C)[C@@H](C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1 CC(C)[*:1] O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12)[*:1]
Cc1ccc(/C=C/C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1Cl Cc1ccc(cc1Cl)[*:1] CN(Cc1ccc2OCCOc2c1)C(=O)C=C[*:1]
CC(C)(C)CC(C)(C)NC(=O)c1ccc(-n2cncn2)nc1 CC(C)(C)C[*:1] CC(C)(NC(=O)c1ccc(nc1)-n1cncn1)[*:1]
CC(C)(C)CC(C)(C)NC(=O)c1ccc(-n2cncn2)nc1 CC(C)(C)[*:1] CC(C)(C[*:1])NC(=O)c1ccc(nc1)-n1cncn1
CC(C)(C)CC(C)(C)NC(=O)c1ccc(-n2cncn2)nc1 c1ncn(n1)[*:1] CC(C)(C)CC(C)(C)NC(=O)c1ccc(nc1)[*:1]
COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC(=O)[C@@H](NC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 COC(=O)[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])c1ccc(cc1)[N+](=O)[O-]
COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 O=[N+]([O-])[*:1] COC(=O)[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(F)c(F)c1
C[C@H](NC(=O)CCOc1cccc(C=O)c1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)CCOc1cccc(C=O)c1)[*:1]
CC(C)C(=O)N[C@H]1CCCN(C(=O)C[C@H](O)c2ccc(Cl)cc2)C1 CC(C)C(=O)N[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCC[C@@H](C1)[*:1]
CC(C)C(=O)N[C@H]1CCCN(C(=O)C[C@H](O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(C)C(=O)N[C@H]1CCCN(C1)C(=O)C[C@H](O)[*:1]
CC(C)C(=O)N[C@H]1CCCN(C(=O)C[C@H](O)c2ccc(Cl)cc2)C1 CC(C)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCC[C@@H](C1)NC(=O)[*:1]
COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)cs2)cc1 Cc1csc(n1)[*:1] COC(=O)c1ccc(cc1)[N-]S(=O)(=O)c1cc(cs1)[*:1]
COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)cs2)cc1 COC(=O)[*:1] Cc1csc(n1)-c1csc(c1)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
O=C(NC1CCN(C(=O)c2c[nH]c3cccc(F)c23)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1c[nH]c2cccc(F)c12)N1CCC(CC1)NC(=O)[*:1]
O=C(NC1CCN(C(=O)c2c[nH]c3cccc(F)c23)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(c1c[nH]c2cccc(F)c12)N1CCC(CC1)[*:1]
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1ccoc1C Cc1occc1[*:1] C=CCn1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1cccc(Br)c1
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1ccoc1C Brc1cccc(c1)[*:1] C=CCn1c(nnc1-c1ccoc1C)S[C@@H](C)C(=O)N[*:1]
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Br)c2)nnc1-c1ccoc1C C=CC[*:1] Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(Br)c2)n1[*:1]
CCc1nn(CC)c(C[C@H]([NH2+]C)[C@@H]2CN(C)CCO2)c1Br CN1CCO[C@@H](C1)[*:1] CCc1nn(CC)c(C[C@H]([NH2+]C)[*:1])c1Br
COC(=O)CCNC(=O)Cc1ccc2ccccc2c1 COC(=O)C[*:1] O=C(Cc1ccc2ccccc2c1)NC[*:1]
COC(=O)CCNC(=O)Cc1ccc2ccccc2c1 COC(=O)CC[*:1] O=C(Cc1ccc2ccccc2c1)N[*:1]
COC(=O)CCNC(=O)Cc1ccc2ccccc2c1 COC(=O)[*:1] O=C(Cc1ccc2ccccc2c1)NCC[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N(C)C c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N(C)C)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N(C)C CN(C)C(=O)C[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N(C)C CN(C)C(=O)[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[*:1]
Cc1cccc2c(N3CCN(CCS(C)(=O)=O)CC3)c(C#N)cnc12 CS(=O)(=O)[*:1] Cc1cccc2c(c(C#N)cnc12)N1CCN(CC1)CC[*:1]
Cc1cccc2c(N3CCN(CCS(C)(=O)=O)CC3)c(C#N)cnc12 CS(=O)(=O)CC[*:1] Cc1cccc2c(c(C#N)cnc12)N1CCN(CC1)[*:1]
Cc1cccc2c(N3CCN(CCS(C)(=O)=O)CC3)c(C#N)cnc12 CS(=O)(=O)C[*:1] Cc1cccc2c(c(C#N)cnc12)N1CCN(CC1)C[*:1]
O=S(=O)(NCC[NH2+]C1CCCCCCC1)c1cccnc1 c1cncc(c1)[*:1] O=S(=O)(NCC[NH2+]C1CCCCCCC1)[*:1]
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cc(C)ccc1C c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N(C(=O)C[C@@H]1C(=O)Nc1cc(C)ccc1C)[*:1]
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CCOC(=O)C1=C(C)N(C(=O)C[C@@H]1C(=O)N[*:1])c1ccccc1
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cc(C)ccc1C CCOC(=O)[*:1] CC1=C([C@H](CC(=O)N1c1ccccc1)C(=O)Nc1cc(C)ccc1C)[*:1]
CCn1/c(=N/C(=O)CCCN2CCOC2=O)[nH]c2cc(Br)ccc21 O=C1OCCN1C[*:1] CCn1/c(=N/C(=O)CC[*:1])[nH]c2cc(Br)ccc21
CCn1/c(=N/C(=O)CCCN2CCOC2=O)[nH]c2cc(Br)ccc21 O=C1OCCN1CC[*:1] CCn1/c(=N/C(=O)C[*:1])[nH]c2cc(Br)ccc21
CCn1/c(=N/C(=O)CCCN2CCOC2=O)[nH]c2cc(Br)ccc21 O=C1OCCN1[*:1] CCn1/c(=N/C(=O)CCC[*:1])[nH]c2cc(Br)ccc21
CCC[C@H]1C[C@H]1NC(=O)C[C@@H](C)c1cccc(OC)c1 CCC[*:1] COc1cccc(c1)[C@H](C)CC(=O)N[C@@H]1C[C@@H]1[*:1]
CCCn1nnc2cc(C(=O)N[C@@H](C)C(=O)Nc3cccc(Br)c3)ccc21 CCC[*:1] C[C@H](NC(=O)c1ccc2c(c1)nnn2[*:1])C(=O)Nc1cccc(Br)c1
CCCn1nnc2cc(C(=O)N[C@@H](C)C(=O)Nc3cccc(Br)c3)ccc21 Brc1cccc(c1)[*:1] CCCn1nnc2cc(ccc21)C(=O)N[C@@H](C)C(=O)N[*:1]
COc1ccc([C@H]2C(N)=NC(=O)N2CC(C)C)cc1Br CC(C)[*:1] COc1ccc(cc1Br)[C@H]1C(N)=NC(=O)N1C[*:1]
COc1ccc([C@H]2C(N)=NC(=O)N2CC(C)C)cc1Br CC(C)C[*:1] COc1ccc(cc1Br)[C@H]1C(N)=NC(=O)N1[*:1]
Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)[nH]1 Cc1ccccc1[*:1] O=C(CSc1nc2ccsc2c(=O)[nH]1)N[*:1]
Cc1ccc[nH+]c1N1CCO[C@H](/C(N)=N/O)C1 N/C(=N\O)[*:1] Cc1ccc[nH+]c1N1CCO[C@H](C1)[*:1]
CC[NH2+][C@H](Cc1nc(C)c(C)s1)c1cccc(OCC)c1 CCO[*:1] CC[NH2+][C@H](Cc1nc(C)c(C)s1)c1cccc(c1)[*:1]
CC[NH2+][C@H](Cc1nc(C)c(C)s1)c1cccc(OCC)c1 Cc1nc(sc1C)[*:1] CC[NH2+][C@H](C[*:1])c1cccc(c1)OCC
COc1ccc(Br)c(C(=O)N2CC(c3nc(-c4ccccn4)no3)C2)c1 c1ccc(nc1)[*:1] COc1ccc(Br)c(c1)C(=O)N1CC(C1)c1nc(no1)[*:1]
COCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 COC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1c(F)cccc1F)[*:1]
CCCCNC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 CCC[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(Cl)cc1)NC[*:1]
CCCCNC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 CCCCNC(=O)[*:1] Clc1ccc(cc1)-c1noc(n1)-c1cccn1C[*:1]
CCCCNC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 CCCCNC(=O)C[*:1] Clc1ccc(cc1)-c1noc(n1)-c1cccn1[*:1]
CCCCNC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CCCCNC(=O)Cn1cccc1-c1nc(no1)[*:1]
CCCCNC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 CCCC[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(Cl)cc1)N[*:1]
CCNc1ncc(C(=O)N2CCn3cccc3[C@@H]2c2ccccn2)cn1 c1ccc(nc1)[*:1] CCNc1ncc(cn1)C(=O)N1CCn2cccc2[C@H]1[*:1]
CCNc1ncc(C(=O)N2CCn3cccc3[C@@H]2c2ccccn2)cn1 CCN[*:1] O=C(c1cnc(nc1)[*:1])N1CCn2cccc2[C@@H]1c1ccccn1
CCC(CC)n1ccc(C[C@]2(O)CCSC2)n1 CCC(CC)[*:1] O[C@]1(CCSC1)Cc1ccn(n1)[*:1]
CCNC(=O)C1(c2cc(-c3cccs3)on2)CC1 CCNC(=O)[*:1] c1csc(c1)-c1cc(no1)C1(CC1)[*:1]
CCNC(=O)C1(c2cc(-c3cccs3)on2)CC1 c1csc(c1)[*:1] CCNC(=O)C1(CC1)c1cc(on1)[*:1]
CC(C)(C)c1ncc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cn1 CC(C)(C)[*:1] O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cnc(nc1)[*:1]
C[C@H]1CC[C@H](C[NH3+])CN1Cc1c[nH+]cn1C1CC1 C1CC1[*:1] C[C@H]1CC[C@H](C[NH3+])CN1Cc1c[nH+]cn1[*:1]
CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCOC2)cc1 CC(C)C[*:1] O=C(NCc1ccc(cc1)S(=O)(=O)N[*:1])[C@@H]1CCOC1
CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCOC2)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)S(=O)(=O)NC[*:1])[C@@H]1CCOC1
Cc1c([C@@H](C)NCCc2nnc(-c3ccccc3)o2)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])[C@@H](C)NCCc1nnc(o1)[*:1]
Cc1c([C@@H](C)NCCc2nnc(-c3ccccc3)o2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])[C@@H](C)NCCc1nnc(o1)-c1ccccc1
COCc1nc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cs1 COC[*:1] O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1csc(n1)[*:1]
CC[C@@H](C)c1ccccc1OCC(=O)N(C)c1cccnc1N(C)C CC[C@@H](C)[*:1] CN(C)c1ncccc1N(C)C(=O)COc1ccccc1[*:1]
CC[C@@H](C)c1ccccc1OCC(=O)N(C)c1cccnc1N(C)C CN(C)[*:1] CC[C@@H](C)c1ccccc1OCC(=O)N(C)c1cccnc1[*:1]
COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(OC)cc2F)C3)c1 COc1cccc(c1)[*:1] COc1ccc(CN2CCOc3c(cc(cc3OC)[*:1])C2)c(F)c1
COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(OC)cc2F)C3)c1 COc1ccc(C[*:1])c(F)c1 COc1cccc(c1)-c1cc2CN(CCOc2c(c1)OC)[*:1]
COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(OC)cc2F)C3)c1 COc1ccc(c(F)c1)[*:1] COc1cccc(c1)-c1cc2CN(CCOc2c(c1)OC)C[*:1]
NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 NC(=O)[*:1] O=S(=O)(c1cccc(c1)OC(F)(F)F)N1CCC[C@@H]1[*:1]
NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(c1)[*:1]
NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O[*:1]
C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](NC(=O)c1ccc(cc1)CS(C)(=O)=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(S(N)(=O)=O)cc1 CS(=O)(=O)C[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(S(N)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)c1ccc(cc1)C[*:1])c1ccc(cc1)S(N)(=O)=O
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccccc1F)C1CC1 Fc1ccccc1[*:1] CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(C[*:1])C1CC1
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccccc1F)C1CC1 Fc1ccccc1C[*:1] CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(C1CC1)[*:1]
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccccc1F)C1CC1 C1CC1[*:1] CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccccc1F)[*:1]
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccccc1F)C1CC1 CC(C)(C)[*:1] O=C([C@H]1CCCCN1C(=O)O[*:1])N(Cc1ccccc1F)C1CC1
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C12CCC2 FC(F)(F)[*:1] CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[C@H](C2)[*:1])C12CCC2
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C12CCC2 CCO[*:1] O=C(N[C@@H]1CCC[C@@H](C1)C(F)(F)F)N[C@@H]1C[C@H](C12CCC2)[*:1]
COc1cccc([C@H](CO)Nc2cc(C)ccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cccc(c1)[C@H](CO)Nc1cc(C)ccc1[*:1]
CC(=O)Nc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
CC(=O)Nc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)NC(=O)N1CCc2ccc(cc2C1)[*:1]
Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 Cc1nn(C)c(C)c1[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
Cc1cc(C)c2nc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)sc2c1 c1coc(c1)[*:1] Cc1cc(C)c2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C[*:1])sc2c1
Cc1cc(C)c2nc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)sc2c1 c1coc(c1)C[*:1] Cc1cc(C)c2nc(NC(=O)c3ccc(cc3)S(=O)(=O)N(C)[*:1])sc2c1
Cc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccccc4F)cnc32)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-n1nnc2c(=O)n(cnc21)CC(=O)N[*:1]
Cc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccccc4F)cnc32)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1cnc2c(nnn2[*:1])c1=O)Nc1ccccc1F
COc1ccc(-c2cnn3c(C)c(C(=O)NCc4ccc(C(F)(F)F)cc4)cnc23)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(-c2cnn3c(C)c(C(=O)NCc4ccc(C(F)(F)F)cc4)cnc23)cc1 COc1ccc(cc1)[*:1] Cc1c(cnc2c(cnn12)[*:1])C(=O)NCc1ccc(cc1)C(F)(F)F
COc1ccc(-c2cnn3c(C)c(C(=O)NCc4ccc(C(F)(F)F)cc4)cnc23)cc1 FC(F)(F)c1ccc(cc1)[*:1] COc1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NC[*:1]
CC(=O)c1cc(F)c(C)cc1OCCC[NH+](C)C CC(=O)[*:1] Cc1cc(OCCC[NH+](C)C)c(cc1F)[*:1]
Cc1ccc(-c2noc(CCC(=O)N[C@H]3CCOc4ccccc43)n2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])N[C@H]1CCOc2ccccc21
O=C([O-])c1ccccc1[C@H](O)c1ccc(F)c(F)c1 O=C([O-])[*:1] O[C@H](c1ccc(F)c(F)c1)c1ccccc1[*:1]
Cc1ccc(C)c(CCNC(=O)[C@H]2CCC(=O)N(CCc3ccccn3)C2)c1 c1ccc(C[*:1])nc1 Cc1ccc(C)c(c1)CCNC(=O)[C@H]1CCC(=O)N(C1)C[*:1]
Cc1ccc(C)c(CCNC(=O)[C@H]2CCC(=O)N(CCc3ccccn3)C2)c1 c1ccc(nc1)[*:1] Cc1ccc(C)c(c1)CCNC(=O)[C@H]1CCC(=O)N(CC[*:1])C1
Cc1ccc(C)c(CCNC(=O)[C@H]2CCC(=O)N(CCc3ccccn3)C2)c1 Cc1ccc(C)c(c1)C[*:1] O=C(NC[*:1])[C@H]1CCC(=O)N(CCc2ccccn2)C1
Cc1ccc(C)c(CCNC(=O)[C@H]2CCC(=O)N(CCc3ccccn3)C2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCC[*:1])[C@H]1CCC(=O)N(CCc2ccccn2)C1
Cc1ccc(C)c(CCNC(=O)[C@H]2CCC(=O)N(CCc3ccccn3)C2)c1 c1ccc(CC[*:1])nc1 Cc1ccc(C)c(c1)CCNC(=O)[C@H]1CCC(=O)N(C1)[*:1]
CN(CC(C)(C)C)C(=O)Cc1ccc(Br)s1 CC(C)(C)C[*:1] CN(C(=O)Cc1ccc(Br)s1)[*:1]
CN(CC(C)(C)C)C(=O)Cc1ccc(Br)s1 CC(C)(C)[*:1] CN(C[*:1])C(=O)Cc1ccc(Br)s1
O=C(c1cc(F)c(F)c(F)c1F)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)[*:1] O=C(c1cc(F)c(F)c(F)c1F)N(C[C@H]1CCCO1)C[*:1]
O=C(c1cc(F)c(F)c(F)c1F)N(Cc1cccs1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(c1cc(F)c(F)c(F)c1F)N(Cc1cccs1)C[*:1]
O=C(c1cc(F)c(F)c(F)c1F)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)C[*:1] O=C(c1cc(F)c(F)c(F)c1F)N(C[C@H]1CCCO1)[*:1]
O=C(c1cc(F)c(F)c(F)c1F)N(Cc1cccs1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(c1cc(F)c(F)c(F)c1F)N(Cc1cccs1)[*:1]
Cc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2cc(-c3ccccn3)[nH]n2)CC1 Cc1cc(F)ccc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cc([nH]n1)-c1ccccn1
Cc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2cc(-c3ccccn3)[nH]n2)CC1 c1ccc(nc1)[*:1] Cc1cc(F)ccc1NC(=O)C1CCN(CC1)C(=O)c1cc([nH]n1)[*:1]
CC(C)COc1ccccc1NC(=O)N(CCO)C1CCCC1 CC(C)CO[*:1] O=C(Nc1ccccc1[*:1])N(CCO)C1CCCC1
CC(C)COc1ccccc1NC(=O)N(CCO)C1CCCC1 CC(C)[*:1] O=C(Nc1ccccc1OC[*:1])N(CCO)C1CCCC1
CC(C)COc1ccccc1NC(=O)N(CCO)C1CCCC1 CC(C)C[*:1] O=C(Nc1ccccc1O[*:1])N(CCO)C1CCCC1
CC(C)COc1ccccc1NC(=O)N(CCO)C1CCCC1 OCC[*:1] CC(C)COc1ccccc1NC(=O)N(C1CCCC1)[*:1]
CC(C)COc1ccccc1NC(=O)N(CCO)C1CCCC1 C1CCC(C1)[*:1] CC(C)COc1ccccc1NC(=O)N(CCO)[*:1]
O=C(C[C@H](O)c1ccc(Cl)cc1)NCCc1nc2c(s1)CCCC2 Clc1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])NCCc1nc2CCCCc2s1
O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1nnc(o1)[*:1]
CCOC(=O)c1ccc(CNC(=O)c2ccc3c(c2)nnn3CC)o1 CCOC(=O)[*:1] CCn1nnc2cc(ccc21)C(=O)NCc1ccc(o1)[*:1]
CCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1 N#Cc1ccc(cc1)[*:1] CCc1ccc(o1)C(=O)[C@H](C#N)c1nc(cs1)[*:1]
CCc1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1 CCc1ccc(o1)[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@@H](C#N)C(=O)[*:1]
CC[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccc(Cl)cc12)c1ccccc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)c1cc(nc2ccc(Cl)cc12)[*:1])c1ccccc1
CC[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccc(Cl)cc12)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1cc(nc2ccc(Cl)cc12)-c1ccncc1)[*:1]
CC[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccc(Cl)cc12)c1ccccc1 CC[C@@H](c1ccccc1)[*:1] O=C(N[*:1])c1cc(nc2ccc(Cl)cc12)-c1ccncc1
O=S(=O)(NCC[NH2+][C@@H]1CCc2ccccc21)c1cccs1 c1csc(c1)[*:1] O=S(=O)(NCC[NH2+][C@@H]1CCc2ccccc21)[*:1]
Cc1c(C(=O)NCCn2c(C)cc3ccccc32)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NCCn1c(C)cc2ccccc21
CCOCCN(C)C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 CCO[*:1] Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)CC[*:1])c1C
CCOCCN(C)C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 CCOCC[*:1] Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)[*:1])c1C
CCOCCN(C)C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 CCOC[*:1] Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)C[*:1])c1C
CCOCCN(C)C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCOCCN(C)C(=O)C(=O)Nc1c(C)c(C)nn1[*:1]
CCOC(=O)[C@@]1(CC)C[C@H](CSC2[NH+]=c3ccccc3=[NH+]2)OC1=O CCOC(=O)[*:1] CC[C@]1(C[C@H](CSC2[NH+]=c3ccccc3=[NH+]2)OC1=O)[*:1]
Cc1cccc(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1O O=[N+]([O-])[*:1] Cc1cccc(C)c1OCC(=O)Nc1ccc(cc1O)[*:1]
O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1nc2cccnc2s1)[*:1]
O=C(CCc1nnc(-c2ccsc2)o1)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(CCc1nnc(o1)-c1ccsc1)N1CC=C(CC1)[*:1]
O=C(CCc1nnc(-c2ccsc2)o1)N1CC=C(c2ccccc2Cl)CC1 c1cc(cs1)[*:1] O=C(CCc1nnc(o1)[*:1])N1CC=C(CC1)c1ccccc1Cl
N/C(=N\OC(=O)c1ccc2ccccc2c1)c1ccccc1Cl Clc1ccccc1[*:1] N/C(=N\OC(=O)c1ccc2ccccc2c1)[*:1]
CCCCS(=O)(=O)[N-]c1ccc(Br)c2cccnc12 CCC[*:1] O=S(=O)(C[*:1])[N-]c1ccc(Br)c2cccnc12
CCCCS(=O)(=O)[N-]c1ccc(Br)c2cccnc12 CCCC[*:1] O=S(=O)([N-]c1ccc(Br)c2cccnc12)[*:1]
CCc1ccc([C@H](NC(=O)NC[C@@H](C)N2CCOCC2)C(C)(C)C)o1 CCc1ccc(o1)[*:1] C[C@H](CNC(=O)N[C@H](C(C)(C)C)[*:1])N1CCOCC1
CCc1ccc([C@H](NC(=O)NC[C@@H](C)N2CCOCC2)C(C)(C)C)o1 CC(C)(C)[*:1] CCc1ccc(o1)[C@H](NC(=O)NC[C@@H](C)N1CCOCC1)[*:1]
CCc1ccc([C@H](NC(=O)NC[C@@H](C)N2CCOCC2)C(C)(C)C)o1 C[C@@H](N1CCOCC1)[*:1] CCc1ccc(o1)[C@H](NC(=O)NC[*:1])C(C)(C)C
CCc1ccc([C@H](NC(=O)NC[C@@H](C)N2CCOCC2)C(C)(C)C)o1 C1CN(CCO1)[*:1] CCc1ccc(o1)[C@H](NC(=O)NC[C@@H](C)[*:1])C(C)(C)C
Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)ccc1[N+](=O)[O-] NC(=O)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1sc2C[C@@H](C)CCc2c1[*:1]
Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)Nc1sc2C[C@@H](C)CCc2c1C(N)=O
Cc1ccc(-n2nc(C)c3c4c(cnc32)C(=O)N(c2ccccc2F)C4=O)cc1C Fc1ccccc1[*:1] Cc1ccc(cc1C)-n1nc(C)c2c3C(=O)N(C(=O)c3cnc21)[*:1]
Cc1ccc(-n2nc(C)c3c4c(cnc32)C(=O)N(c2ccccc2F)C4=O)cc1C Cc1ccc(cc1C)[*:1] Cc1nn(c2ncc3C(=O)N(C(=O)c3c12)c1ccccc1F)[*:1]
COc1ccc([C@H](C)N(C)C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)N[C@H](CC(F)(F)F)[*:1]
COc1ccc([C@H](C)N(C)C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 FC(F)(F)C[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
COc1ccc([C@H](C)N(C)C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)N[C@H](C[*:1])c1ccc(F)cc1
COc1ccc([C@H](C)N(C)C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
Cc1ccc(NC(=O)N[C@@H](C)[C@@H](C)CO)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] Cc1ccc(NC(=O)N[C@@H](C)[C@@H](C)CO)c(c1)[*:1]
Cc1ccc(NC(=O)N[C@@H](C)[C@@H](C)CO)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] Cc1ccc(NC(=O)N[C@@H](C)[C@@H](C)CO)c(c1)O[*:1]
Cc1ccc(NC(=O)N[C@@H](C)[C@@H](C)CO)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(NC(=O)N[C@@H](C)[C@@H](C)CO)c(c1)OC[*:1]
Cc1ccc(NC(=O)N[C@@H](C)[C@@H](C)CO)c(OC[C@@H]2CCCO2)c1 C[C@@H](CO)[*:1] Cc1ccc(NC(=O)N[C@@H](C)[*:1])c(c1)OC[C@@H]1CCCO1
CC(=O)Nc1ccccc1Cc1ccccc1 CC(=O)N[*:1] c1ccc(cc1)Cc1ccccc1[*:1]
CCOC(=O)c1sc(NC(=O)[C@@H](C)n2c(C)cc(C)nc2=O)nc1C CCOC(=O)[*:1] Cc1cc(C)n(c(=O)n1)[C@H](C)C(=O)Nc1nc(C)c(s1)[*:1]
Cc1ccc(O)c(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)c1 O=[N+]([O-])[*:1] Cc1ccc(O)c(c1)Nc1c(c(=O)oc2ccccc12)[*:1]
Cc1ccncc1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1ccncc1NC(=O)N1CCC[C@H](C1)[C@H](C)NC(=O)O[*:1]
Cc1ccncc1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 Cc1ccncc1[*:1] C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C1)C(=O)N[*:1]
Cc1ccncc1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 CC(C)(C)OC(=O)N[*:1] Cc1ccncc1NC(=O)N1CCC[C@H](C1)[C@H](C)[*:1]
COCCOc1ccc(Nc2nnc(C)c(C)c2C#N)cc1Cl COC[*:1] Cc1nnc(Nc2ccc(OC[*:1])c(Cl)c2)c(C#N)c1C
COCCOc1ccc(Nc2nnc(C)c(C)c2C#N)cc1Cl COCC[*:1] Cc1nnc(Nc2ccc(O[*:1])c(Cl)c2)c(C#N)c1C
COCCOc1ccc(Nc2nnc(C)c(C)c2C#N)cc1Cl COCCO[*:1] Cc1nnc(Nc2ccc(c(Cl)c2)[*:1])c(C#N)c1C
COc1cc(C)ccc1-c1c(-c2ccccc2)ncn1Cc1c(C)noc1C Cc1noc(C)c1C[*:1] COc1cc(C)ccc1-c1c(ncn1[*:1])-c1ccccc1
COc1cc(C)ccc1-c1c(-c2ccccc2)ncn1Cc1c(C)noc1C Cc1noc(C)c1[*:1] COc1cc(C)ccc1-c1c(ncn1C[*:1])-c1ccccc1
COc1cc(C)ccc1-c1c(-c2ccccc2)ncn1Cc1c(C)noc1C COc1cc(C)ccc1[*:1] Cc1noc(C)c1Cn1cnc(-c2ccccc2)c1[*:1]
COc1cc(C)ccc1-c1c(-c2ccccc2)ncn1Cc1c(C)noc1C c1ccc(cc1)[*:1] COc1cc(C)ccc1-c1c(ncn1Cc1c(C)noc1C)[*:1]
O=C(c1ccccc1)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccco1 c1ccc(cc1)[*:1] O=C(c1ccccc1)N1N=C(C[C@H]1c1ccco1)c1ccccc1[N-]S(=O)(=O)[*:1]
O=C(c1ccccc1)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccco1 c1ccc(cc1)[*:1] O=C(N1N=C(C[C@H]1c1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccccc1)[*:1]
O=C(c1ccccc1)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(c1ccccc1)N1N=C(C[C@@H]1[*:1])c1ccccc1[N-]S(=O)(=O)c1ccccc1
Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=[NH+]\c2ccccc2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])c1cc2ccc(O)cc2o/c1=[NH+]\c1ccccc1
Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=[NH+]\c2ccccc2)nc1 c1ccc(cc1)[*:1] Cc1ccc(nc1)NC(=O)c1cc2ccc(O)cc2oc1=[NH+][*:1]
CCc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(Cc3cccnc3)c2[O-])cc1 CCc1ccc(cc1)[*:1] Cc1c(C(=O)[C@@H](C)O[*:1])c([O-])n(Cc2cccnc2)c(=O)c1C#N
CCc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(Cc3cccnc3)c2[O-])cc1 CCc1ccc(cc1)O[*:1] Cc1c(C(=O)[C@@H](C)[*:1])c([O-])n(Cc2cccnc2)c(=O)c1C#N
CCc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(Cc3cccnc3)c2[O-])cc1 c1cncc(c1)C[*:1] CCc1ccc(cc1)O[C@H](C)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
CCc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(Cc3cccnc3)c2[O-])cc1 c1cncc(c1)[*:1] CCc1ccc(cc1)O[C@H](C)C(=O)c1c(C)c(C#N)c(=O)n(C[*:1])c1[O-]
Cc1ccsc1[C@H](O)[C@@H]1CCOC2(CCSCC2)C1 Cc1ccsc1[*:1] O[C@H]([C@@H]1CCOC2(CCSCC2)C1)[*:1]
N#C/C(C(=O)N1CCCC1)=C(/[O-])CCc1ccc2c(c1)OCCCO2 O=C(N1CCCC1)[*:1] N#CC(=C([O-])CCc1ccc2OCCCOc2c1)[*:1]
CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)ccc21 O=C([O-])[*:1] CCn1ccc2cc(ccc21)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
Cc1[nH]c(CN[C@@H]2CCC[C@@H]3C2=CNN3c2ccc(C(C)(C)C)cc2)c[nH+]1 CC(C)(C)[*:1] Cc1[nH]c(c[nH+]1)CN[C@@H]1CCC[C@@H]2C1=CNN2c1ccc(cc1)[*:1]
c1nc(N2CCN(Cc3cnc(C4CC4)s3)CC2)c2sccc2n1 C1CC1[*:1] c1nc(c2sccc2n1)N1CCN(CC1)Cc1cnc(s1)[*:1]
c1nc(N2CCN(Cc3cnc(C4CC4)s3)CC2)c2sccc2n1 c1nc(sc1[*:1])C1CC1 c1nc(c2sccc2n1)N1CCN(CC1)C[*:1]
CCc1c(C[NH2+]C2CC2)cnn1-c1cccc(Cl)c1 C1CC1[*:1] CCc1c(cnn1-c1cccc(Cl)c1)C[NH2+][*:1]
COC(=O)c1cc(CN2CC[NH2+][C@@H](C)C2)c[nH]1 COC(=O)[*:1] C[C@H]1CN(CC[NH2+]1)Cc1c[nH]c(c1)[*:1]
N#CCC(=O)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 c1csc(c1)[*:1] N#CCC(=O)N1CC[C@H](C1)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
N#CCC(=O)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 FC(F)(F)[*:1] N#CCC(=O)N1CC[C@H](C1)c1cc2nc(cc(n2n1)[*:1])-c1cccs1
N#CCC(=O)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 N#CC[*:1] O=C(N1CC[C@H](C1)c1cc2nc(cc(n2n1)C(F)(F)F)-c1cccs1)[*:1]
Cc1ccc(-c2nc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)cs2)cc1 Cc1ccc(cc1)[*:1] O=C1C(=O)N(C(=O)N1Cc1csc(n1)[*:1])C1CCCC1
Cc1ccc(-c2nc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)cs2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)-c1nc(cs1)CN1C(=O)C(=O)N(C1=O)[*:1]
O=C(CSc1ccccc1)c1cc(Br)cc(Br)c1O c1ccc(cc1)[*:1] O=C(CS[*:1])c1cc(Br)cc(Br)c1O
Cc1nc(SCC(=O)c2ccc3c(c2)CCC3)sc1CC(N)=O NC(=O)[*:1] Cc1nc(SCC(=O)c2ccc3CCCc3c2)sc1C[*:1]
Cc1nc(SCC(=O)c2ccc3c(c2)CCC3)sc1CC(N)=O NC(=O)C[*:1] Cc1nc(SCC(=O)c2ccc3CCCc3c2)sc1[*:1]
COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2c(C)c(-c3ccc(F)cc3)nn21 Fc1ccc(cc1)[*:1] COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2c(C)c(nn21)[*:1]
COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2c(C)c(-c3ccc(F)cc3)nn21 COc1ccccc1[*:1] Cc1c(nn2c1NC(=O)[C@H]2CC(=O)N[*:1])-c1ccc(F)cc1
O=C(NCC[NH+]1CCCCC1)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)CO[*:1] O=C(NCC[NH+]1CCCCC1)N1CCC(CC1)[*:1]
O=C(NCC[NH+]1CCCCC1)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(NCC[NH+]1CCCCC1)N1CCC(CC1)O[*:1]
O=C(NCC[NH+]1CCCCC1)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCC[NH+]1CCCCC1)N1CCC(CC1)OC[*:1]
Cc1nc(C)c(C#N)c(SCc2nnc(-c3ccc(Cl)cc3)o2)n1 Clc1ccc(cc1)[*:1] Cc1nc(C)c(C#N)c(n1)SCc1nnc(o1)[*:1]
CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)C1CCCC1)C2 C1CCC(C1)[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)[*:1])-c1cccnc1
CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)C1CCCC1)C2 CN(C)[*:1] O=C(C1CCCC1)N1CCc2c(C1)nc(nc2[*:1])-c1cccnc1
CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)C1CCCC1)C2 c1cncc(c1)[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)C1CCCC1)[*:1]
CCOCCN(C)C(=O)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CCOCCN(C)C(=O)c1ccc(cc1)[*:1]
CCOCCN(C)C(=O)c1ccc(-n2cccn2)cc1 CCOCC[*:1] CN(C(=O)c1ccc(cc1)-n1cccn1)[*:1]
CCOCCN(C)C(=O)c1ccc(-n2cccn2)cc1 CCOC[*:1] CN(C[*:1])C(=O)c1ccc(cc1)-n1cccn1
CCOCCN(C)C(=O)c1ccc(-n2cccn2)cc1 CCO[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)-n1cccn1
Cc1cc(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n2ncnc2n1 CC(C)[*:1] Cc1cc(N2CC[NH+](CC2)Cc2ccc(cc2)[*:1])n2ncnc2n1
CCOC(=O)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1 CCOC(=O)[*:1] O=S(=O)(NCc1cccc(Cl)c1)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CCOC(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(c1)[*:1]
C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 C=CC[*:1] C[C@H](N[C@@H](C)c1cccc(c1)C(F)(F)F)C(=O)NC(=O)N[*:1]
Cc1[nH]ncc1CCCNc1ccc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1[nH]ncc1CCCNc1ccc(Br)cc1[*:1]
Cc1[nH]ncc1CCCNc1ccc(Br)cc1[N+](=O)[O-] Cc1[nH]ncc1[*:1] O=[N+]([O-])c1cc(Br)ccc1NCCC[*:1]
C[C@H]1CCN(C(=O)c2ccnc(-n3cncn3)c2)[C@H](c2ccco2)C1 c1coc(c1)[*:1] C[C@H]1CCN(C(=O)c2ccnc(c2)-n2cncn2)[C@H](C1)[*:1]
C[C@H]1CCN(C(=O)c2ccnc(-n3cncn3)c2)[C@H](c2ccco2)C1 c1ncn(n1)[*:1] C[C@H]1CCN(C(=O)c2ccnc(c2)[*:1])[C@@H](C1)c1ccco1
Clc1ccc(Cn2ncc3c(NCc4cccnc4)ncnc32)cc1 c1cncc(c1)C[*:1] Clc1ccc(cc1)Cn1ncc2c(ncnc21)N[*:1]
Clc1ccc(Cn2ncc3c(NCc4cccnc4)ncnc32)cc1 c1cncc(c1)[*:1] Clc1ccc(cc1)Cn1ncc2c(ncnc21)NC[*:1]
Clc1ccc(Cn2ncc3c(NCc4cccnc4)ncnc32)cc1 c1cncc(c1)CN[*:1] Clc1ccc(cc1)Cn1ncc2c(ncnc21)[*:1]
Clc1ccc(Cn2ncc3c(NCc4cccnc4)ncnc32)cc1 Clc1ccc(cc1)C[*:1] c1cncc(c1)CNc1ncnc2c1cnn2[*:1]
Clc1ccc(Cn2ncc3c(NCc4cccnc4)ncnc32)cc1 Clc1ccc(cc1)[*:1] c1cncc(c1)CNc1ncnc2c1cnn2C[*:1]
CC1CCN(C(=O)c2n[nH]c3c2CN(C(=O)Cc2cccs2)CC3)CC1 c1csc(c1)[*:1] CC1CCN(CC1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)C[*:1]
CC1CCN(C(=O)c2n[nH]c3c2CN(C(=O)Cc2cccs2)CC3)CC1 c1csc(c1)C[*:1] CC1CCN(CC1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)[*:1]
CSCC(=O)NNC(=O)NCc1ccc(Br)c(F)c1 CSC[*:1] O=C(NCc1ccc(Br)c(F)c1)NNC(=O)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CSc1nnnn1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)CSc1nnnn1[*:1]
CC(C)c1nc(CC(=O)OCc2nc(-c3ccccc3)no2)cs1 CC(C)[*:1] O=C(Cc1csc(n1)[*:1])OCc1nc(no1)-c1ccccc1
CC(C)c1nc(CC(=O)OCc2nc(-c3ccccc3)no2)cs1 c1ccc(cc1)[*:1] CC(C)c1nc(cs1)CC(=O)OCc1nc(no1)[*:1]
CC(C)c1nc(CC(=O)OCc2nc(-c3ccccc3)no2)cs1 CC(C)c1nc(cs1)[*:1] O=C(C[*:1])OCc1nc(no1)-c1ccccc1
CS[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C1 C1CC1c1noc(n1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)[*:1]
CS[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C1 C1CC1[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)-c1nc(no1)[*:1]
C=CCOc1ccc(C(=O)Nc2cc(C)on2)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1cc(C)on1
C=CCOc1ccc(C(=O)Nc2cc(C)on2)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1cc(C)on1
C=CCOc1ccc(C(=O)Nc2cc(C)on2)cc1OC Cc1cc(no1)[*:1] C=CCOc1ccc(cc1OC)C(=O)N[*:1]
COc1ccc(Cc2nnc(SCC(=O)N3CCC[C@@H](C)C3)o2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)CSc1nnc(C[*:1])o1
C[C@H]([NH2+]Cc1cn[nH]c1C(C)(C)C)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] C[C@H]([NH2+]Cc1cn[nH]c1C(C)(C)C)c1nc(cs1)[*:1]
C[C@H]([NH2+]Cc1cn[nH]c1C(C)(C)C)c1nc(-c2ccncc2)cs1 CC(C)(C)[*:1] C[C@H]([NH2+]Cc1cn[nH]c1[*:1])c1nc(cs1)-c1ccncc1
CC/C(=N\CCc1c[nH]cn1)C1C(=O)N(C)C(=O)N(C)C1=O c1nc(c[nH]1)[*:1] CC/C(=N\CC[*:1])C1C(=O)N(C)C(=O)N(C)C1=O
CC/C(=N\CCc1c[nH]cn1)C1C(=O)N(C)C(=O)N(C)C1=O c1nc(c[nH]1)C[*:1] CC/C(=N\C[*:1])C1C(=O)N(C)C(=O)N(C)C1=O
CC/C(=N\CCc1c[nH]cn1)C1C(=O)N(C)C(=O)N(C)C1=O c1nc(c[nH]1)CC[*:1] CCC(=N[*:1])C1C(=O)N(C)C(=O)N(C)C1=O
CC(C)Nc1cccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 CC(C)N[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(c1)[*:1]
CC(C)Nc1cccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 CC(C)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(c1)N[*:1]
O=C(c1cccs1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 c1csc(c1)[*:1] O=C(N1CC[C@@H](C1)n1c(nc2cccnc21)-c1ccco1)[*:1]
O=C(c1cccs1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 c1coc(c1)[*:1] O=C(c1cccs1)N1CC[C@@H](C1)n1c(nc2cccnc21)[*:1]
O=C([O-])c1cc(Cl)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 O=C([O-])[*:1] O=C([O-])c1cc(Cl)cc(c1)-c1cc(cc(c1)[*:1])C(=O)[O-]
O=C([O-])c1cc(Cl)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 O=C([O-])[*:1] O=C([O-])c1cc(cc(c1)-c1cc(Cl)cc(c1)[*:1])C(=O)[O-]
COc1ccccc1[C@@H](NC(=O)[C@@H]1CCCS1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)[C@@H]1CCCS1)[*:1]
CC[C@@H](C)NC(=S)N[C@H]1CCCC[C@@H]1C CC[C@@H](C)[*:1] C[C@H]1CCCC[C@@H]1NC(=S)N[*:1]
NC(=S)c1ccccc1OCCN1CCCCCCC1=O NC(=S)[*:1] O=C1CCCCCCN1CCOc1ccccc1[*:1]
c1ccc2c(c1)CC[C@@]21C[C@@H]1C[NH2+][C@@H]1CCN(C2CC2)C1 C1CC1[*:1] c1ccc2c(c1)CC[C@@]21C[C@@H]1C[NH2+][C@@H]1CCN(C1)[*:1]
CN(C(=O)CSC(C)(C)C)C1CCN(c2cccc(F)c2)CC1 CC(C)(C)[*:1] CN(C(=O)CS[*:1])C1CCN(CC1)c1cccc(F)c1
CN(C(=O)CSC(C)(C)C)C1CCN(c2cccc(F)c2)CC1 CC(C)(C)S[*:1] CN(C(=O)C[*:1])C1CCN(CC1)c1cccc(F)c1
CN(C(=O)CSC(C)(C)C)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CN(C(=O)CSC(C)(C)C)C1CCN(CC1)[*:1]
CN(C(=O)CSC(C)(C)C)C1CCN(c2cccc(F)c2)CC1 CC(C)(C)SC[*:1] CN(C(=O)[*:1])C1CCN(CC1)c1cccc(F)c1
C[C@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)[*:1]
S=C(c1ccc(N2CCCC2)c(Br)c1)N1CCOCC1 C1CCN(C1)[*:1] S=C(c1ccc(c(Br)c1)[*:1])N1CCOCC1
C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C1 CN(C)S(=O)(=O)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)NCc1ccc(cc1)[*:1]
C[C@@H]1Cc2ccccc2N1c1ccc(F)cc1C(=O)[O-] O=C([O-])[*:1] C[C@@H]1Cc2ccccc2N1c1ccc(F)cc1[*:1]
COc1ccc(CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cn1 O=[N+]([O-])[*:1] COc1ccc(cn1)CNC(=O)c1cc(OC)c(cc1[*:1])OC
COc1ccc(CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cn1 COc1ccc(cn1)[*:1] COc1cc(C(=O)NC[*:1])c(cc1OC)[N+](=O)[O-]
CC(=O)c1ccccc1NC(=O)COC(=O)c1cc(C)nc2ccccc12 CC(=O)[*:1] Cc1cc(C(=O)OCC(=O)Nc2ccccc2[*:1])c2ccccc2n1
CC(=O)c1ccccc1NC(=O)COC(=O)c1cc(C)nc2ccccc12 CC(=O)c1ccccc1[*:1] Cc1cc(C(=O)OCC(=O)N[*:1])c2ccccc2n1
CC(C)Cc1nc(NC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)n[nH]1 CC(C)[*:1] C[C@@H](NC(=O)Nc1n[nH]c(C[*:1])n1)c1ccc(cc1)-n1cncn1
CC(C)Cc1nc(NC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)n[nH]1 CC(C)C[*:1] C[C@@H](NC(=O)Nc1n[nH]c(n1)[*:1])c1ccc(cc1)-n1cncn1
CC(C)Cc1nc(NC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)n[nH]1 c1ncn(n1)[*:1] CC(C)Cc1nc(n[nH]1)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc(CNCCc2ccc(-n3cccn3)cc2)o1 c1cnn(c1)[*:1] Cc1ccc(CNCCc2ccc(cc2)[*:1])o1
Cc1ccc(CNCCc2ccc(-n3cccn3)cc2)o1 Cc1ccc(C[*:1])o1 c1cnn(c1)-c1ccc(cc1)CCN[*:1]
Cc1ccc(CNCCc2ccc(-n3cccn3)cc2)o1 Cc1ccc(o1)[*:1] c1cnn(c1)-c1ccc(cc1)CCNC[*:1]
CCCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2C)CC1 Cc1ccccc1[*:1] CCCNC(=O)[C@H](NC(=O)c1ccc2OCOc2c1)C1CCN(CC1)C(=O)[*:1]
CCCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2C)CC1 CCC[*:1] Cc1ccccc1C(=O)N1CCC(CC1)[C@@H](NC(=O)c1ccc2OCOc2c1)C(=O)N[*:1]
CCCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2C)CC1 c1cc2OCOc2cc1[*:1] CCCNC(=O)[C@H](NC(=O)[*:1])C1CCN(CC1)C(=O)c1ccccc1C
CCCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2C)CC1 CCCNC(=O)[*:1] Cc1ccccc1C(=O)N1CCC(CC1)[C@@H](NC(=O)c1ccc2OCOc2c1)[*:1]
O=C(/C=C/c1cccs1)N1CC[NH2+]CC1 c1csc(c1)[*:1] O=C(C=C[*:1])N1CC[NH2+]CC1
NNC(=S)C12CC3CC(CC(C3)C1)C2 NNC(=S)[*:1] C1C2CC3CC1CC(C2)(C3)[*:1]
N#C[C@@H](C(=O)CCc1nc(C2CC2)no1)C(=O)NC1CCCCC1 C1CC1c1noc(n1)[*:1] N#C[C@@H](C(=O)CC[*:1])C(=O)NC1CCCCC1
N#C[C@@H](C(=O)CCc1nc(C2CC2)no1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] N#C[C@@H](C(=O)CCc1nc(no1)C1CC1)C(=O)N[*:1]
N#C[C@@H](C(=O)CCc1nc(C2CC2)no1)C(=O)NC1CCCCC1 C1CC1[*:1] N#C[C@@H](C(=O)CCc1nc(no1)[*:1])C(=O)NC1CCCCC1
COc1ccccc1N1CC[NH+](C/C=C\c2ccc3c(c2)CCC(=O)N3)CC1 COc1ccccc1[*:1] O=C1CCc2cc(/C=C\C[NH+]3CCN(CC3)[*:1])ccc2N1
C[C@H]1CCC[C@@H](NC(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)C1 O=C(Cn1cccn1)N[*:1] C[C@H]1CCC[C@H](C1)NC(=O)NCc1cccc(c1)[*:1]
C[C@H]1CCC[C@@H](NC(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)C1 c1cnn(c1)C[*:1] C[C@H]1CCC[C@H](C1)NC(=O)NCc1cccc(c1)NC(=O)[*:1]
C[C@H]1CCC[C@@H](NC(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)C1 c1cnn(c1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)NCc1cccc(c1)NC(=O)C[*:1]
Cc1ccc(O[C@H](C)C(=O)N2CCC(OCC(C)C)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)COC1CCN(CC1)C(=O)[C@@H](C)O[*:1]
Cc1ccc(O[C@H](C)C(=O)N2CCC(OCC(C)C)CC2)cc1 CC(C)C[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)N1CCC(CC1)O[*:1]
Cc1ccc(O[C@H](C)C(=O)N2CCC(OCC(C)C)CC2)cc1 CC(C)CO[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(O[C@H](C)C(=O)N2CCC(OCC(C)C)CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)N1CCC(CC1)OC[*:1]
Cc1ccnc(N2CCC[C@@H](C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)C2)n1 Fc1ccccc1[*:1] Cc1ccnc(n1)N1CCC[C@H](C1)C(=O)NCCC[NH+]1CCN(CC1)[*:1]
Cc1ccnc(N2CCC[C@@H](C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)C2)n1 Cc1ccnc(n1)[*:1] O=C(NCCC[NH+]1CCN(CC1)c1ccccc1F)[C@@H]1CCCN(C1)[*:1]
CCNC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 CS(=O)(=O)C[*:1] CCNC(=O)[C@@H](Cc1cccc(Br)c1)C[*:1]
CCNC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 CS(=O)(=O)CC[*:1] CCNC(=O)[C@H](Cc1cccc(Br)c1)[*:1]
CCNC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 CCNC(=O)[*:1] CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)[*:1]
CCNC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 CS(=O)(=O)[*:1] CCNC(=O)[C@H](CC[*:1])Cc1cccc(Br)c1
CCc1nn(C)cc1NC(=O)C[C@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] CCc1nn(C)cc1NC(=O)C[C@H](C)[*:1]
COc1ccc([C@@H](C)CCNc2c([N+](=O)[O-])c(C)nn2C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H](C)CCNc1c(c(C)nn1C)[*:1]
N#Cc1ccc(OCc2nc(-c3cccs3)no2)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)OCc1nc(no1)[*:1]
C[C@H]1CN(CC(=O)Nc2ccccc2Cl)C[C@H](c2ccccc2)O1 Clc1ccccc1[*:1] C[C@H]1CN(CC(=O)N[*:1])C[C@@H](O1)c1ccccc1
C[C@H]1CN(CC(=O)Nc2ccccc2Cl)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(CC(=O)Nc2ccccc2Cl)C[C@H](O1)[*:1]
O=C(Nc1ccc(F)cc1OCC(F)F)C(=O)N1C[C@H]2CCCC[C@@H]2C1 FC(F)C[*:1] O=C(Nc1ccc(F)cc1O[*:1])C(=O)N1C[C@H]2CCCC[C@@H]2C1
O=C(Nc1ccc(F)cc1OCC(F)F)C(=O)N1C[C@H]2CCCC[C@@H]2C1 FC(F)CO[*:1] O=C(Nc1ccc(F)cc1[*:1])C(=O)N1C[C@H]2CCCC[C@@H]2C1
O=C(Nc1ccc(F)cc1OCC(F)F)C(=O)N1C[C@H]2CCCC[C@@H]2C1 FC(F)[*:1] O=C(Nc1ccc(F)cc1OC[*:1])C(=O)N1C[C@H]2CCCC[C@@H]2C1
Cc1cccc(CNC(=O)c2ccccc2CSC2=NCCS2)c1 Cc1cccc(c1)C[*:1] O=C(N[*:1])c1ccccc1CSC1=NCCS1
Cc1cccc(CNC(=O)c2ccccc2CSC2=NCCS2)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])c1ccccc1CSC1=NCCS1
CC[C@H](CSC)N(C)C(=O)Nc1ccc(F)c(NC(C)=O)c1 CSC[*:1] CC[C@H](N(C)C(=O)Nc1ccc(F)c(c1)NC(C)=O)[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1ccc(F)c(NC(C)=O)c1 CC(=O)N[*:1] CC[C@H](CSC)N(C)C(=O)Nc1ccc(F)c(c1)[*:1]
O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 Fc1ccc(cc1)[*:1] O=C(NN=C[*:1])c1cc(n[nH]1)-c1ccc2CCc3cccc1c32
CCSC[C@H](C)N(C)C(=O)NC[C@@H](C)N1CCOC[C@@H]1C CCSC[*:1] C[C@H]1COCCN1[C@H](C)CNC(=O)N(C)[C@@H](C)[*:1]
CCSC[C@H](C)N(C)C(=O)NC[C@@H](C)N1CCOC[C@@H]1C CCSC[C@H](C)[*:1] C[C@H]1COCCN1[C@H](C)CNC(=O)N(C)[*:1]
CCSC[C@H](C)N(C)C(=O)NC[C@@H](C)N1CCOC[C@@H]1C C[C@H]1COCCN1[*:1] CCSC[C@H](C)N(C)C(=O)NC[C@@H](C)[*:1]
CCSC[C@H](C)N(C)C(=O)NC[C@@H](C)N1CCOC[C@@H]1C CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)NC[C@@H](C)N1CCOC[C@@H]1C
C[C@@H](NC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)c(Cl)c1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)CCC(F)(F)F FC(F)(F)C[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)C[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)CCC(F)(F)F FC(F)(F)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)CC[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)CCC(F)(F)F FC(F)(F)CC[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[*:1]
CCCCC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 CCC[*:1] O=C(C[*:1])N1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1
CCCCC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 Fc1ccc(cc1)[*:1] CCCCC(=O)N1CCN(CC1)c1nc(cs1)[*:1]
CCCCC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 CCCC[*:1] O=C(N1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1)[*:1]
CC(=O)NCC1CCN(C(F)(F)F)CC1 CC(=O)N[*:1] FC(F)(F)N1CCC(CC1)C[*:1]
CC(=O)NCC1CCN(C(F)(F)F)CC1 FC(F)(F)[*:1] CC(=O)NCC1CCN(CC1)[*:1]
CC(=O)NCC1CCN(C(F)(F)F)CC1 CC(=O)NC[*:1] FC(F)(F)N1CCC(CC1)[*:1]
CCN(c1ccc(C(=O)N(C)Cc2ccccc2)cc1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] CN(Cc1ccccc1)C(=O)c1ccc(cc1)[*:1]
CCN(c1ccc(C(=O)N(C)Cc2ccccc2)cc1)S(C)(=O)=O c1ccc(cc1)[*:1] CCN(c1ccc(cc1)C(=O)N(C)C[*:1])S(C)(=O)=O
CCN(c1ccc(C(=O)N(C)Cc2ccccc2)cc1)S(C)(=O)=O c1ccc(cc1)C[*:1] CCN(c1ccc(cc1)C(=O)N(C)[*:1])S(C)(=O)=O
CC(C)CN(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 CC(C)C[*:1] CN(C(=O)[C@@H]1C=C[C@@H]([NH3+])C1)[*:1]
CC(C)CN(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 CC(C)[*:1] CN(C[*:1])C(=O)[C@@H]1C=C[C@@H]([NH3+])C1
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2(C(C)C)CC2)c1 CC(C)C1(CC1)[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)[NH2+]C[*:1]
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2(C(C)C)CC2)c1 CC(C)[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)[NH2+]CC1(CC1)[*:1]
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2(C(C)C)CC2)c1 CNS(=O)(=O)[*:1] CC(C)C1(CC1)C[NH2+][C@@H](C)c1cccc(c1)[*:1]
C=C(C)C[C@@H](O)C(C)(C)OC C=C(C)[*:1] COC(C)(C)[C@H](O)C[*:1]
CCOc1ccc(-c2cc(-c3ccc(OC)cc3OC)nc3ncnc(N)c23)cc1 CCO[*:1] COc1ccc(-c2cc(-c3ccc(cc3)[*:1])c3c(N)ncnc3n2)c(c1)OC
CCOc1ccc(-c2cc(-c3ccc(OC)cc3OC)nc3ncnc(N)c23)cc1 COc1ccc(c(c1)OC)[*:1] CCOc1ccc(cc1)-c1cc(nc2ncnc(N)c12)[*:1]
CCOc1ccc(-c2cc(-c3ccc(OC)cc3OC)nc3ncnc(N)c23)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(-c2cc(c3c(N)ncnc3n2)[*:1])c(c1)OC
CC/[NH+]=C(/NCc1ncc(C)s1)N[C@@H](C)c1ccc(F)c(F)c1 Cc1cnc(s1)[*:1] CC/[NH+]=C(/NC[*:1])N[C@@H](C)c1ccc(F)c(F)c1
CC/[NH+]=C(/NCc1ncc(C)s1)N[C@@H](C)c1ccc(F)c(F)c1 Cc1cnc(C[*:1])s1 CC/[NH+]=C(\N[C@@H](C)c1ccc(F)c(F)c1)N[*:1]
Cc1cccnc1NC(=O)c1ccc(/C=C2\SC(=O)NC2=O)cc1 Cc1cccnc1[*:1] O=C1NC(=O)/C(=C/c2ccc(cc2)C(=O)N[*:1])S1
Cc1cccnc1NC(=O)c1ccc(/C=C2\SC(=O)NC2=O)cc1 O=C1NC(=O)C(=C[*:1])S1 Cc1cccnc1NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2F)cc1 COC(=O)[*:1] O=C(COC(=O)c1ccccc1F)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] COC(=O)c1ccc(cc1)NC(=O)COC(=O)[*:1]
N#Cc1ccc(COc2ccc(N3CCCC3=O)cc2)c(F)c1 O=C1CCCN1[*:1] N#Cc1ccc(COc2ccc(cc2)[*:1])c(F)c1
Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cc(-c2ccccc2)[nH]n1 Clc1cccc(Cl)c1[*:1] Nn1c(nnc1-c1cc([nH]n1)-c1ccccc1)SC[*:1]
Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cc(-c2ccccc2)[nH]n1 Clc1cccc(Cl)c1C[*:1] Nn1c(nnc1-c1cc([nH]n1)-c1ccccc1)S[*:1]
Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cc(-c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] Nn1c(nnc1-c1cc([nH]n1)[*:1])SCc1c(Cl)cccc1Cl
COc1ccc(C(=O)N(C)c2cccc(C(C)C)c2)cc1S(=O)(=O)N(C)C CC(C)[*:1] COc1ccc(cc1S(=O)(=O)N(C)C)C(=O)N(C)c1cccc(c1)[*:1]
COc1ccc(C(=O)N(C)c2cccc(C(C)C)c2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)N(C)c1cccc(c1)C(C)C
COc1ccc(C(=O)N(C)c2cccc(C(C)C)c2)cc1S(=O)(=O)N(C)C CC(C)c1cccc(c1)[*:1] COc1ccc(cc1S(=O)(=O)N(C)C)C(=O)N(C)[*:1]
C[C@@H](C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)n1cncn1 FC(F)(F)C[*:1] C[C@@H](C(=O)Nc1cc(Cl)ccc1O[*:1])n1cncn1
C[C@@H](C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)n1cncn1 FC(F)(F)[*:1] C[C@@H](C(=O)Nc1cc(Cl)ccc1OC[*:1])n1cncn1
C[C@@H](C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)n1cncn1 FC(F)(F)CO[*:1] C[C@@H](C(=O)Nc1cc(Cl)ccc1[*:1])n1cncn1
C[C@@H](C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)[*:1]
CC(C)CCC(=O)NCC(=O)Nc1nc(-c2cccnc2)cs1 CC(C)C[*:1] O=C(C[*:1])NCC(=O)Nc1nc(cs1)-c1cccnc1
CC(C)CCC(=O)NCC(=O)Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] CC(C)CCC(=O)NCC(=O)Nc1nc(cs1)[*:1]
CC(C)CCC(=O)NCC(=O)Nc1nc(-c2cccnc2)cs1 CC(C)[*:1] O=C(CC[*:1])NCC(=O)Nc1nc(cs1)-c1cccnc1
CC(C)CCC(=O)NCC(=O)Nc1nc(-c2cccnc2)cs1 CC(C)CC[*:1] O=C(CNC(=O)[*:1])Nc1nc(cs1)-c1cccnc1
O=C(NCCc1cccs1)NCC1CCS(=O)(=O)CC1 c1csc(c1)[*:1] O=C(NCC[*:1])NCC1CCS(=O)(=O)CC1
O=C(NCCc1cccs1)NCC1CCS(=O)(=O)CC1 c1csc(c1)C[*:1] O=C(NCC1CCS(=O)(=O)CC1)NC[*:1]
CC1(CNC(=O)c2cccc(-c3ccoc3)c2)CCC1 CC1(CCC1)[*:1] O=C(NC[*:1])c1cccc(c1)-c1ccoc1
CC1(CNC(=O)c2cccc(-c3ccoc3)c2)CCC1 CC1(CCC1)C[*:1] O=C(N[*:1])c1cccc(c1)-c1ccoc1
CC1(CNC(=O)c2cccc(-c3ccoc3)c2)CCC1 c1cc(co1)[*:1] CC1(CCC1)CNC(=O)c1cccc(c1)[*:1]
O=C(Nc1cccnc1)N[C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(Nc1cccnc1)N[C@H](C1CC1)[*:1]
O=C(Nc1cccnc1)N[C@H](c1ccccc1)C1CC1 c1cncc(c1)[*:1] O=C(N[C@H](c1ccccc1)C1CC1)N[*:1]
O=C(Nc1cccnc1)N[C@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(Nc1cccnc1)N[C@H](c1ccccc1)[*:1]
Cc1ccc2nc3c(c(C(=O)Nc4ccc(CC#N)cc4)c2c1)CCCC3 N#CC[*:1] Cc1ccc2nc3CCCCc3c(C(=O)Nc3ccc(cc3)[*:1])c2c1
Cc1ccc2nc3c(c(C(=O)Nc4ccc(CC#N)cc4)c2c1)CCCC3 N#CCc1ccc(cc1)[*:1] Cc1ccc2nc3CCCCc3c(C(=O)N[*:1])c2c1
CCC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)cc2C[C@@H]1C C[C@H]1CCCC[C@H]1[*:1] CCC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)N[*:1]
Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1OC1CCC1 C1CC(C1)[*:1] Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1O[*:1]
Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1OC1CCC1 C1CC(C1)O[*:1] Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1[*:1]
Cc1csc([C@H]2CN(Cc3c(C)nn(Cc4ccccc4)c3C)CCO2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@H]1CN(CCO1)Cc1c(C)nn(C[*:1])c1C
Cc1csc([C@H]2CN(Cc3c(C)nn(Cc4ccccc4)c3C)CCO2)n1 Cc1csc(n1)[*:1] Cc1nn(Cc2ccccc2)c(C)c1CN1CCO[C@H](C1)[*:1]
Cc1csc([C@H]2CN(Cc3c(C)nn(Cc4ccccc4)c3C)CCO2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)[C@H]1CN(CCO1)Cc1c(C)nn(c1C)[*:1]
COc1ccccc1OCc1cc(C(=O)N(C)C[C@H](C)O)n[nH]1 C[C@H](O)[*:1] COc1ccccc1OCc1cc(n[nH]1)C(=O)N(C)C[*:1]
C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)[C@H](C)CN1C(=O)OC(C)(C)C N#Cc1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)[C@H](C)CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)[C@H](C)CN1C(=O)O[*:1]
Cc1cc(C(=O)N[C@@H](c2ccccc2)C(C)C)no1 c1ccc(cc1)[*:1] Cc1cc(no1)C(=O)N[C@@H](C(C)C)[*:1]
Cc1cc(C(=O)N[C@@H](c2ccccc2)C(C)C)no1 CC(C)[*:1] Cc1cc(no1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1cc(C(=O)N[C@@H](c2ccccc2)C(C)C)no1 Cc1cc(no1)[*:1] CC(C)[C@@H](NC(=O)[*:1])c1ccccc1
COCCOCC(=O)N1CCOc2ccc(F)cc21 COCCO[*:1] O=C(C[*:1])N1CCOc2ccc(F)cc21
COCCOCC(=O)N1CCOc2ccc(F)cc21 COCCOC[*:1] O=C(N1CCOc2ccc(F)cc21)[*:1]
COCCOCC(=O)N1CCOc2ccc(F)cc21 COCC[*:1] O=C(CO[*:1])N1CCOc2ccc(F)cc21
COCCOCC(=O)N1CCOc2ccc(F)cc21 COC[*:1] O=C(COC[*:1])N1CCOc2ccc(F)cc21
NC(=O)[C@@H](NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12)c1ccccc1 NC(=O)[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)N[C@@H](c1ccccc1)[*:1]
NC(=O)[C@@H](NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
C[C@H]1C[C@@H]([NH2+]CCC(C)(C)O)CC[C@H]1C CC(C)(O)C[*:1] C[C@H]1C[C@H](CC[C@H]1C)[NH2+]C[*:1]
C[C@H]1C[C@@H]([NH2+]CCC(C)(C)O)CC[C@H]1C CC(C)(O)[*:1] C[C@H]1C[C@H](CC[C@H]1C)[NH2+]CC[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)NCCc3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)NCC[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)NCCc3ccc(F)cc3)ccc21 Fc1ccc(cc1)C[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)NC[*:1]
Cc1nc(NC(=O)CNCC(F)(F)F)sc1Cc1ccccc1F FC(F)(F)[*:1] Cc1nc(NC(=O)CNC[*:1])sc1Cc1ccccc1F
Cc1nc(NC(=O)CNCC(F)(F)F)sc1Cc1ccccc1F Fc1ccccc1C[*:1] Cc1nc(NC(=O)CNCC(F)(F)F)sc1[*:1]
Cc1nc(NC(=O)CNCC(F)(F)F)sc1Cc1ccccc1F Fc1ccccc1[*:1] Cc1nc(NC(=O)CNCC(F)(F)F)sc1C[*:1]
Cc1nc(NC(=O)CNCC(F)(F)F)sc1Cc1ccccc1F FC(F)(F)C[*:1] Cc1nc(NC(=O)CN[*:1])sc1Cc1ccccc1F
Cc1nc(NC(=O)CNCC(F)(F)F)sc1Cc1ccccc1F FC(F)(F)CNC[*:1] Cc1nc(NC(=O)[*:1])sc1Cc1ccccc1F
Cc1nc(NC(=O)CNCC(F)(F)F)sc1Cc1ccccc1F FC(F)(F)CN[*:1] Cc1nc(NC(=O)C[*:1])sc1Cc1ccccc1F
O=C(NCC(=O)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N1CCOCC1
Cc1nc(/C=C/C(=O)NC[C@H](C(C)C)N2CCOCC2)cs1 CC(C)[*:1] Cc1nc(/C=C/C(=O)NC[C@H](N2CCOCC2)[*:1])cs1
Cc1nc(/C=C/C(=O)NC[C@H](C(C)C)N2CCOCC2)cs1 Cc1nc(cs1)[*:1] CC(C)[C@@H](CNC(=O)C=C[*:1])N1CCOCC1
Cc1nc(/C=C/C(=O)NC[C@H](C(C)C)N2CCOCC2)cs1 C1CN(CCO1)[*:1] Cc1nc(/C=C/C(=O)NC[C@H](C(C)C)[*:1])cs1
CCOC[C@H](O)CN1CCN(C(=O)c2cnc3onc(C)c3c2)CC1 CCOC[*:1] Cc1noc2ncc(cc12)C(=O)N1CCN(CC1)C[C@@H](O)[*:1]
CCOC[C@H](O)CN1CCN(C(=O)c2cnc3onc(C)c3c2)CC1 CCOC[C@H](O)[*:1] Cc1noc2ncc(cc12)C(=O)N1CCN(CC1)C[*:1]
CCOC[C@H](O)CN1CCN(C(=O)c2cnc3onc(C)c3c2)CC1 CCO[*:1] Cc1noc2ncc(cc12)C(=O)N1CCN(CC1)C[C@@H](O)C[*:1]
CCOC[C@H](O)CN1CCN(C(=O)c2cnc3onc(C)c3c2)CC1 CCOC[C@H](O)C[*:1] Cc1noc2ncc(cc12)C(=O)N1CCN(CC1)[*:1]
CCCn1c(=O)n(CCC2OCCCO2)c2ccccc21 CCC[*:1] O=c1n(CCC2OCCCO2)c2ccccc2n1[*:1]
CCCn1c(=O)n(CCC2OCCCO2)c2ccccc21 C1COC(C[*:1])OC1 CCCn1c(=O)n(C[*:1])c2ccccc21
CCCn1c(=O)n(CCC2OCCCO2)c2ccccc21 C1COC(OC1)[*:1] CCCn1c(=O)n(CC[*:1])c2ccccc21
C[C@@H](O)CN(C)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@@H](O)CN(C)C(=O)N[C@@H]1CCN(C1)C(=O)C[*:1]
C[C@@H](O)CN(C)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] C[C@@H](O)CN(C)C(=O)N[C@@H]1CCN(C1)C(=O)[*:1]
C[C@@H](O)CN(C)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H](O)CN(C)C(=O)N[C@@H]1CCN(C1)C(=O)CC[*:1]
C[C@@H](O)CN(C)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 C[C@@H](O)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCN(C1)C(=O)CCc1ccccc1
C[C@@H](O)CN(C)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 C[C@@H](O)C[*:1] CN(C(=O)N[C@@H]1CCN(C1)C(=O)CCc1ccccc1)[*:1]
CN(C)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cn1 CN(C)[*:1] O=C(Nc1ccc(nc1)[*:1])[C@@H]1CCCC[C@H]1C(F)(F)F
CN(C)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cn1 FC(F)(F)[*:1] CN(C)c1ccc(cn1)NC(=O)[C@@H]1CCCC[C@@H]1[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CC(F)(F)F)CC2)C1 FC(F)(F)C[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CCN(CC1)C(=O)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CC(F)(F)F)CC2)C1 FC(F)(F)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1CCN(CC1)C(=O)C[*:1]
Cc1csc([C@H]2Cc3ccsc3[C@@H]([C@@H]3CCOC3)[NH2+]2)n1 C1C[C@H](CO1)[*:1] Cc1csc(n1)[C@H]1Cc2ccsc2[C@@H]([NH2+]1)[*:1]
Cc1csc([C@H]2Cc3ccsc3[C@@H]([C@@H]3CCOC3)[NH2+]2)n1 Cc1csc(n1)[*:1] c1cc2C[C@@H]([NH2+][C@@H](c2s1)[C@@H]1CCOC1)[*:1]
CCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1cccn1-c1cccnc1)CC2 c1cncc(c1)[*:1] CCN1C(=O)N(C)C(=O)C12CC[NH+](CC2)Cc1cccn1[*:1]
COc1ccccc1N1COc2ccc3c(c2C1)O/C(=C/c1cc(OC)c(OC)c(OC)c1)C3=O COc1ccccc1[*:1] COc1cc(/C=C2/Oc3c(ccc4OCN(Cc43)[*:1])C2=O)cc(OC)c1OC
O=C(Cc1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1cccc(c1)-c1nc2ncccc2o1
O=C(Cc1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)-c1nc2ncccc2o1)[*:1]
C[S@](=O)c1ccc(NC(=O)C(=O)NCC2CC2)cc1F C1CC1C[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)N[*:1]
C[S@](=O)c1ccc(NC(=O)C(=O)NCC2CC2)cc1F C1CC1[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)NC[*:1]
CC(C)[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 CC(C)[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)[*:1]
CC(C)[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 CC(C)[C@H](C)[*:1] CN1C[C@@H](CC1=O)C(=O)N[*:1]
COC(=O)c1[nH]c(C)cc1NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 Fc1ccc(F)c(c1)[*:1] COC(=O)c1[nH]c(C)cc1NC(=O)[C@H]1CC(=NO1)[*:1]
COC(=O)c1[nH]c(C)cc1NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 COC(=O)[*:1] Cc1cc(NC(=O)[C@H]2CC(=NO2)c2cc(F)ccc2F)c([nH]1)[*:1]
CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 CCOC(=O)[*:1] O=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc([nH]c2=O)N2CCC[C@H](C2)[*:1])N1
CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 O=C(Nc1ccccc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)c1nc2NC(=O)C[C@H](c2c(=O)[nH]1)[*:1]
CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)c1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
CC(C)C[C@H]([NH3+])C(=O)N1CCN(C(=O)CCn2ccc3cc[nH+]cc32)CC1 CC(C)[*:1] [NH3+][C@@H](C[*:1])C(=O)N1CCN(CC1)C(=O)CCn1ccc2cc[nH+]cc21
CC(C)C[C@H]([NH3+])C(=O)N1CCN(C(=O)CCn2ccc3cc[nH+]cc32)CC1 CC(C)C[*:1] [NH3+][C@H](C(=O)N1CCN(CC1)C(=O)CCn1ccc2cc[nH+]cc21)[*:1]
N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc4ccccc34)CC2)nc1 c1ccc2c(cccc2c1)[*:1] N#Cc1ccc(nc1)N1CCC(CC1)NC(=O)C(=O)N[*:1]
N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc4ccccc34)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(Nc1cccc2ccccc12)C(=O)NC1CCN(CC1)[*:1]
O=[N+]([O-])c1ccc(/C=N/N2CCOCC2)cc1 O=[N+]([O-])[*:1] C(=N/N1CCOCC1)\c1ccc(cc1)[*:1]
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(=O)c5ccco5)CC4)[C@H]3C[C@H]12 c1coc(c1)[*:1] C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(CC4)C(=O)[*:1])[C@H]3C[C@H]12
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 O=C1CCCN1[*:1] COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(c(C)c1)[*:1]
CS(=O)(=O)Cc1ccc(C(=O)O[C@H]2CCCc3ccccc32)cc1 CS(=O)(=O)[*:1] O=C(O[C@H]1CCCc2ccccc21)c1ccc(cc1)C[*:1]
CS(=O)(=O)Cc1ccc(C(=O)O[C@H]2CCCc3ccccc32)cc1 CS(=O)(=O)C[*:1] O=C(O[C@H]1CCCc2ccccc21)c1ccc(cc1)[*:1]
COc1ccc([C@@H]2[NH+]=NC3=C2CN(C(=O)c2ccccc2)CC3)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccc1)N1CCC2N=[NH+][C@H](C=2C1)[*:1]
COc1ccc([C@@H]2[NH+]=NC3=C2CN(C(=O)c2ccccc2)CC3)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1[NH+]=NC2CCN(CC=21)C(=O)[*:1]
CNC(=O)c1ccc(CNC[C@H](c2ccco2)N2CCCCC2)cc1 c1coc(c1)[*:1] CNC(=O)c1ccc(cc1)CNC[C@H](N1CCCCC1)[*:1]
CNC(=O)c1ccc(CNC[C@H](c2ccco2)N2CCCCC2)cc1 C1CCN(CC1)[*:1] CNC(=O)c1ccc(cc1)CNC[C@H](c1ccco1)[*:1]
CNC(=O)c1ccc(CNC[C@H](c2ccco2)N2CCCCC2)cc1 CNC(=O)[*:1] c1coc(c1)[C@@H](CNCc1ccc(cc1)[*:1])N1CCCCC1
CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC(C)(C)n1nnnc1[C@@H](N1CCN(CC1)c1ccccc1)[*:1]
CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(CC1)[*:1]
CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1 CCC(C)(C)[*:1] c1ccc(cc1)[C@H](c1nnnn1[*:1])N1CCN(CC1)c1ccccc1
CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCSc1ncccc1Cl Clc1cccnc1[*:1] CC[NH2+][C@@]1(CCC[C@@H]1CCS[*:1])C(=O)[O-]
CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCSc1ncccc1Cl O=C([O-])[*:1] CC[NH2+][C@@]1(CCC[C@@H]1CCSc1ncccc1Cl)[*:1]
C[C@@H](O)CN(C)C(=O)NCc1ccn(-c2ccc(F)cc2)n1 C[C@@H](O)[*:1] CN(C[*:1])C(=O)NCc1ccn(n1)-c1ccc(F)cc1
C[C@@H](O)CN(C)C(=O)NCc1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] C[C@@H](O)CN(C)C(=O)NCc1ccn(n1)[*:1]
COCc1ccc(CNC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 COCc1ccc(cc1)[*:1] O=C(Cc1c[nH]c2ccccc12)NNC(=O)NC[*:1]
COCc1ccc(CNC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 COC[*:1] O=C(Cc1c[nH]c2ccccc12)NNC(=O)NCc1ccc(cc1)[*:1]
COCc1ccc(CNC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)[*:1] COCc1ccc(cc1)CNC(=O)NNC(=O)C[*:1]
O=C(CSc1nc2ncccc2o1)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(CSc1nc2ncccc2o1)N[*:1]
C=CCCC(=O)N1CCO[C@H](CCCC(C)C)C1 CC(C)CCC[*:1] C=CCCC(=O)N1CCO[C@H](C1)[*:1]
C=CCCC(=O)N1CCO[C@H](CCCC(C)C)C1 C=CC[*:1] CC(C)CCC[C@@H]1CN(CCO1)C(=O)C[*:1]
C=CCCC(=O)N1CCO[C@H](CCCC(C)C)C1 C=CCC[*:1] CC(C)CCC[C@@H]1CN(CCO1)C(=O)[*:1]
C=CCCC(=O)N1CCO[C@H](CCCC(C)C)C1 CC(C)[*:1] C=CCCC(=O)N1CCO[C@H](CCC[*:1])C1
C=CCCC(=O)N1CCO[C@H](CCCC(C)C)C1 CC(C)C[*:1] C=CCCC(=O)N1CCO[C@H](CC[*:1])C1
C=CCCC(=O)N1CCO[C@H](CCCC(C)C)C1 CC(C)CC[*:1] C=CCCC(=O)N1CCO[C@@H](C1)C[*:1]
COc1ccc([C@@H]2CCCN2C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)N[C@@H](C[NH+](C)C)C[*:1]
COc1ccc([C@@H]2CCCN2C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)N[C@H](C[NH+](C)C)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 COc1ccc(cc1)[*:1] CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1[*:1]
CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)ccc1F CC(C)(C)[*:1] O=C(Nc1cc(ccc1F)NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2)O[*:1]
CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)ccc1F CC(C)(C)OC(=O)N[*:1] O=C(Nc1ccc(F)c(c1)[*:1])[C@H]1C[C@@H]2C=C[C@H]1C2
Cc1ccnc(-c2ccc(NC(=O)[C@H]3COc4ccc(F)cc4C3)cc2)n1 Cc1ccnc(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1COc2ccc(F)cc2C1
CC(=O)c1cc2cc(C(=O)Nc3ccc4c(c3)OCCO4)cnc2[nH]1 CC(=O)[*:1] O=C(Nc1ccc2OCCOc2c1)c1cnc2[nH]c(cc2c1)[*:1]
O=C(Nc1cccc(OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1)c1ccccc1F C1CCC(CC1)[*:1] O=C(Nc1cccc(c1)OCc1cc(=O)n2nc(sc2n1)[*:1])c1ccccc1F
O=C(Nc1cccc(OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1)c1ccccc1F O=C(N[*:1])c1ccccc1F O=c1cc(COc2cccc(c2)[*:1])nc2sc(nn12)C1CCCCC1
O=C(Nc1cccc(OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1cccc(c1)OCc1cc(=O)n2nc(sc2n1)C1CCCCC1)[*:1]
CC(C)(C)OC(=O)N1CCC(O)(c2ccccc2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(O)(CC1)c1ccccc1
CC(C)(C)OC(=O)N1CCC(O)(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC(O)(CC1)[*:1]
C/C(=C/C(=O)NC1C2CC3CC(C2)CC1C3)NNC(=O)C(=O)Nc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] C/C(=C/C(=O)NC1C2CC3CC(C2)CC1C3)NNC(=O)C(=O)N[*:1]
COC(=O)[C@@H](NC(=O)C(=O)c1ccc(C)cc1)C(C)C CC(C)[*:1] COC(=O)[C@@H](NC(=O)C(=O)c1ccc(C)cc1)[*:1]
COC(=O)[C@@H](NC(=O)C(=O)c1ccc(C)cc1)C(C)C COC(=O)[*:1] Cc1ccc(cc1)C(=O)C(=O)N[C@@H](C(C)C)[*:1]
COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)cc2C)N2CC[NH+](C)CC2)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)C(=O)N[*:1])N1CC[NH+](C)CC1
COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)cc2C)N2CC[NH+](C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(NC(=O)C(=O)NC[C@H](N2CC[NH+](C)CC2)[*:1])c(C)c1
CCc1noc(-c2ccc(CCNC(=O)N3CCCC[C@@H]3CC)cc2)n1 CCc1noc(n1)[*:1] CC[C@H]1CCCCN1C(=O)NCCc1ccc(cc1)[*:1]
S=C1OCCN1CN1CCN(c2ccccc2)CC1 S=C1OCCN1[*:1] c1ccc(cc1)N1CCN(CC1)C[*:1]
S=C1OCCN1CN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] S=C1OCCN1CN1CCN(CC1)[*:1]
Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NC4CC4)c(C)c32)c1C C1CC1[*:1] Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N[*:1])c(C)c32)c1C
Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NC4CC4)c(C)c32)c1C O=C(C[*:1])NC1CC1 Cc1oc2c(c(C)cc3oc(=O)c(c(C)c32)[*:1])c1C
Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NC4CC4)c(C)c32)c1C O=C(NC1CC1)[*:1] Cc1oc2c(c(C)cc3oc(=O)c(C[*:1])c(C)c32)c1C
Cc1cc([C@H](C)NC(=O)NCc2cccc(Cn3cncn3)c2)c(C)s1 c1ncn(C[*:1])n1 Cc1cc(c(C)s1)[C@H](C)NC(=O)NCc1cccc(c1)[*:1]
Cc1cc([C@H](C)NC(=O)NCc2cccc(Cn3cncn3)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)NCc1cccc(c1)Cn1cncn1)[*:1]
Cc1cc([C@H](C)NC(=O)NCc2cccc(Cn3cncn3)c2)c(C)s1 c1ncn(n1)[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)NCc1cccc(c1)C[*:1]
CCn1nc(C)c2c1N[C@@H](CCS(C)(=O)=O)C(=O)N2 CS(=O)(=O)C[*:1] CCn1nc(C)c2NC(=O)[C@H](C[*:1])Nc21
CCn1nc(C)c2c1N[C@@H](CCS(C)(=O)=O)C(=O)N2 CS(=O)(=O)CC[*:1] CCn1nc(C)c2NC(=O)[C@H](Nc21)[*:1]
CCn1nc(C)c2c1N[C@@H](CCS(C)(=O)=O)C(=O)N2 CS(=O)(=O)[*:1] CCn1nc(C)c2NC(=O)[C@H](CC[*:1])Nc21
Cc1ccc(C(=O)NCc2cccc(OC(F)F)c2)cc1S(N)(=O)=O FC(F)O[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)NCc1cccc(c1)[*:1]
Cc1ccc(C(=O)NCc2cccc(OC(F)F)c2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)NCc1cccc(c1)OC(F)F
Cc1ccc(C(=O)NCc2cccc(OC(F)F)c2)cc1S(N)(=O)=O FC(F)[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)NCc1cccc(c1)O[*:1]
Cn1cnnc1[C@H]1CCCN1C(=O)c1c(O)cc(Cl)cc1Cl Cn1cnnc1[*:1] O=C(c1c(O)cc(Cl)cc1Cl)N1CCC[C@@H]1[*:1]
CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCSCC1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)[C@@H](N1CCSCC1)[*:1]
CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCSCC1 C1CN(CCS1)[*:1] CCNC(=O)NC(=O)[C@@H](c1ccccc1)[*:1]
CSc1nn2cc([N+](=O)[O-])cnc2c1C#N O=[N+]([O-])[*:1] CSc1nn2cc(cnc2c1C#N)[*:1]
COc1cc(C[NH3+])ccc1OCC(C)C CC(C)[*:1] COc1cc(ccc1OC[*:1])C[NH3+]
COc1cc(C[NH3+])ccc1OCC(C)C CC(C)CO[*:1] COc1cc(ccc1[*:1])C[NH3+]
COc1cc(C[NH3+])ccc1OCC(C)C CC(C)C[*:1] COc1cc(ccc1O[*:1])C[NH3+]
N#C/C(=C\c1ccc(Oc2ccccc2)cc1Cl)C(=O)[O-] O=C([O-])[*:1] N#CC(=Cc1ccc(cc1Cl)Oc1ccccc1)[*:1]
N#C/C(=C\c1ccc(Oc2ccccc2)cc1Cl)C(=O)[O-] c1ccc(cc1)O[*:1] N#C/C(=C\c1ccc(cc1Cl)[*:1])C(=O)[O-]
N#C/C(=C\c1ccc(Oc2ccccc2)cc1Cl)C(=O)[O-] c1ccc(cc1)[*:1] N#C/C(=C\c1ccc(cc1Cl)O[*:1])C(=O)[O-]
N#C/C(=C\c1ccc(Oc2ccccc2)cc1Cl)C(=O)[O-] N#CC(=C[*:1])C(=O)[O-] Clc1cc(ccc1[*:1])Oc1ccccc1
C[C@@H](NC(=O)N1CCCSCC1)c1cccc(OCc2ccccn2)c1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)N1CCCSCC1)c1cccc(c1)OC[*:1]
C[C@@H](NC(=O)N1CCCSCC1)c1cccc(OCc2ccccn2)c1 c1ccc(C[*:1])nc1 C[C@@H](NC(=O)N1CCCSCC1)c1cccc(c1)O[*:1]
C[C@@H](NC(=O)N1CCCSCC1)c1cccc(OCc2ccccn2)c1 c1ccc(CO[*:1])nc1 C[C@@H](NC(=O)N1CCCSCC1)c1cccc(c1)[*:1]
CCC[NH+]1CCC(NC(=O)c2cncc(C(=O)OC)c2)CC1 CCC[*:1] COC(=O)c1cncc(c1)C(=O)NC1CC[NH+](CC1)[*:1]
CCC[NH+]1CCC(NC(=O)c2cncc(C(=O)OC)c2)CC1 COC(=O)[*:1] CCC[NH+]1CCC(CC1)NC(=O)c1cncc(c1)[*:1]
CCO[C@@H](C)c1nc(CN(C)c2cc(C)c3ccccc3[nH+]2)cs1 CCO[*:1] Cc1cc([nH+]c2ccccc12)N(C)Cc1csc(n1)[C@H](C)[*:1]
CCO[C@@H](C)c1nc(CN(C)c2cc(C)c3ccccc3[nH+]2)cs1 CCO[C@@H](C)[*:1] Cc1cc([nH+]c2ccccc12)N(C)Cc1csc(n1)[*:1]
COc1ccc(N2C(=O)N(Cc3cccc(OC)c3)S(=O)(=O)c3cccnc32)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)N1C(=O)N(C[*:1])S(=O)(=O)c2cccnc21
COc1ccc(N2C(=O)N(Cc3cccc(OC)c3)S(=O)(=O)c3cccnc32)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)CN1C(=O)N(c2ncccc2S1(=O)=O)[*:1]
COc1ccc(N2C(=O)N(Cc3cccc(OC)c3)S(=O)(=O)c3cccnc32)cc1 COc1cccc(c1)C[*:1] COc1ccc(cc1)N1C(=O)N(S(=O)(=O)c2cccnc21)[*:1]
C[C@H]1Cc2cc(/C=C(/C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)ccc2O1 C1CO[C@@H](C1)[*:1] C[C@H]1Cc2cc(/C=C(/C#N)C(=O)Nc3sc4CCCCc4c3C(=O)NC[*:1])ccc2O1
C[C@H]1Cc2cc(/C=C(/C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)ccc2O1 C1CO[C@@H](C1)C[*:1] C[C@H]1Cc2cc(/C=C(/C#N)C(=O)Nc3sc4CCCCc4c3C(=O)N[*:1])ccc2O1
C[C@H]1Cc2cc(/C=C(/C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)ccc2O1 O=C(NC[C@@H]1CCCO1)[*:1] C[C@H]1Cc2cc(/C=C(/C#N)C(=O)Nc3sc4CCCCc4c3[*:1])ccc2O1
CC[C@@H](CCO)NC(=O)[C@@H]1COc2ccccc21 OCC[*:1] CC[C@@H](NC(=O)[C@@H]1COc2ccccc21)[*:1]
CC[C@@H](CCO)NC(=O)[C@@H]1COc2ccccc21 CC[C@@H](CCO)[*:1] O=C(N[*:1])[C@@H]1COc2ccccc21
CC(C)COC(=O)N1CCC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 CC(C)C[*:1] CC(C)(C)n1cc(cn1)C[NH+]1CCCN(CC1)C(=O)O[*:1]
CC(C)COC(=O)N1CCC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 CC(C)(C)[*:1] CC(C)COC(=O)N1CCC[NH+](CC1)Cc1cnn(c1)[*:1]
CC(C)COC(=O)N1CCC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 CC(C)[*:1] CC(C)(C)n1cc(cn1)C[NH+]1CCCN(CC1)C(=O)OC[*:1]
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC[*:1]
O=C(NCCCn1cc(Br)cn1)c1noc2c1CCCC2 Brc1cnn(c1)C[*:1] O=C(NCC[*:1])c1noc2CCCCc12
O=C(NCCCn1cc(Br)cn1)c1noc2c1CCCC2 Brc1cnn(c1)[*:1] O=C(NCCC[*:1])c1noc2CCCCc12
CC1=C2C(=O)C[C@@H](c3cccs3)C[C@@H]2N(C2[NH+]=c3ccccc3=[NH+]2)N1 c1csc(c1)[*:1] CC1NN(C2[NH+]=c3ccccc3=[NH+]2)[C@H]2C[C@H](CC(=O)C=12)[*:1]
COc1cccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)C(=O)/C=C/c1cccc(c1)[*:1]
Cc1cc(NC(=O)CSCC(=O)N[C@@H](C)C(C)C)no1 CC(C)[*:1] Cc1cc(no1)NC(=O)CSCC(=O)N[C@@H](C)[*:1]
Cc1cc(NC(=O)CSCC(=O)N[C@@H](C)C(C)C)no1 Cc1cc(no1)[*:1] CC(C)[C@H](C)NC(=O)CSCC(=O)N[*:1]
Cc1cc(NC(=O)CSCC(=O)N[C@@H](C)C(C)C)no1 CC(C)[C@H](C)[*:1] Cc1cc(no1)NC(=O)CSCC(=O)N[*:1]
Cc1nc2ncnn2c([O-])c1/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 FC(F)(F)[*:1] Cc1nc2ncnn2c([O-])c1/N=C/c1ccc(o1)-c1cccc(c1)[*:1]
CS[C@H]1CCC[C@@H](NC(=O)c2cccc(-c3n[nH]c(C)n3)c2)C1 Cc1nc(n[nH]1)[*:1] CS[C@H]1CCC[C@H](C1)NC(=O)c1cccc(c1)[*:1]
CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 CC(C)CCC[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@H](C)[*:1])[C@H]3C=C12
CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 CC(C)CCC[C@@H](C)[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][*:1])[C@H]3C=C12
CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 CC(C)C[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@H](C)CC[*:1])[C@H]3C=C12
CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 CC(C)CC[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@H](C)C[*:1])[C@H]3C=C12
CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 CC(C)[*:1] C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@H](C)CCC[*:1])[C@H]3C=C12
C[NH+](CC(=O)Nc1nccs1)Cc1ccc(Cl)c(Cl)c1 c1csc(n1)[*:1] C[NH+](CC(=O)N[*:1])Cc1ccc(Cl)c(Cl)c1
C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc(F)nc1 c1ccc(cc1)[*:1] C[C@H]1[C@@H](OC[C@@H](C)N1C(=O)c1ccc(F)nc1)[*:1]
C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc(F)nc1 Fc1ccc(cn1)[*:1] C[C@H]1[C@H](OC[C@@H](C)N1C(=O)[*:1])c1ccccc1
COC(=O)[C@H](C)CC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 COC(=O)[C@H](C)[*:1] O=C(C[*:1])N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F
COC(=O)[C@H](C)CC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] COC(=O)[C@H](C)CC(=O)N1CC[C@H](C1)Oc1ccc(cn1)[*:1]
COC(=O)[C@H](C)CC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 COC(=O)[C@H](C)C[*:1] O=C(N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
COC(=O)[C@H](C)CC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 COC(=O)[*:1] C[C@H](CC(=O)N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
COc1cccc(C(=O)NCCc2cc3c(C)ccc(OC)c3[nH]c2=O)c1 COc1cccc(c1)[*:1] COc1ccc(C)c2cc(CCNC(=O)[*:1])c(=O)[nH]c12
COc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1OC C[C@@H]1C[C@@H]1[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)[*:1]
CC[C@H](NC(=O)/C=C/c1ccc(C)c(Cl)c1)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@H](NC(=O)/C=C/c1ccc(C)c(Cl)c1)[*:1]
CC(C)(C)[C@H]1CC[C@@H](C(=O)[O-])[C@H](Sc2ccncc2)C1 O=C([O-])[*:1] CC(C)(C)[C@H]1CC[C@@H]([C@@H](C1)Sc1ccncc1)[*:1]
CC(C)(C)[C@H]1CC[C@@H](C(=O)[O-])[C@H](Sc2ccncc2)C1 c1cc(ccn1)[*:1] CC(C)(C)[C@H]1CC[C@@H](C(=O)[O-])[C@@H](C1)S[*:1]
CC(C)(C)[C@H]1CC[C@@H](C(=O)[O-])[C@H](Sc2ccncc2)C1 CC(C)(C)[*:1] O=C([O-])[C@@H]1CC[C@@H](C[C@H]1Sc1ccncc1)[*:1]
COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1Cl COc1ccc(cc1Cl)[*:1] COc1ccc(cc1C(=O)N1CCCCCC1)S(=O)(=O)N[*:1]
COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1Cl O=C(N1CCCCCC1)[*:1] COc1ccc(cc1Cl)NS(=O)(=O)c1ccc(OC)c(c1)[*:1]
c1ccc(-n2cnnc2CNc2ccc3ccccc3n2)cc1 c1ccc(cc1)[*:1] c1ccc2nc(ccc2c1)NCc1nncn1[*:1]
O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] O=C(CN1N=C(CCC1=O)c1ccc(Cl)cc1)N[*:1]
O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NC1CCCCCCC1 Clc1ccc(cc1)[*:1] O=C(CN1N=C(CCC1=O)[*:1])NC1CCCCCCC1
CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCCCCC1 CC(C)C[C@@H](C)[*:1] CN(C(=O)C[NH+]1CCCCCC1)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCCCCC1 CC(C)C[*:1] C[C@@H](N(C)C(=O)C[NH+]1CCCCCC1)[*:1]
CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCCCCC1 CC(C)[*:1] C[C@H](C[*:1])N(C)C(=O)C[NH+]1CCCCCC1
CNC(=O)c1cc(NC(=O)C#Cc2ccccc2)ccc1F CNC(=O)[*:1] O=C(C#Cc1ccccc1)Nc1ccc(F)c(c1)[*:1]
CNC(=O)c1cc(NC(=O)C#Cc2ccccc2)ccc1F c1ccc(cc1)[*:1] CNC(=O)c1cc(ccc1F)NC(=O)C#C[*:1]
CCc1ccc(CN(C)C(=O)NCc2cc(C(=O)OC)c(C)o2)cc1 CCc1ccc(cc1)[*:1] COC(=O)c1cc(CNC(=O)N(C)C[*:1])oc1C
CCc1ccc(CN(C)C(=O)NCc2cc(C(=O)OC)c(C)o2)cc1 COC(=O)[*:1] CCc1ccc(cc1)CN(C)C(=O)NCc1cc(c(C)o1)[*:1]
Cc1ccc([C@H](NC(=O)Cn2cc(C(C)C)nn2)c2ccncc2)cc1C CC(C)c1cn(C[*:1])nn1 Cc1ccc(cc1C)[C@H](NC(=O)[*:1])c1ccncc1
Cc1ccc([C@H](NC(=O)Cn2cc(C(C)C)nn2)c2ccncc2)cc1C CC(C)[*:1] Cc1ccc(cc1C)[C@H](NC(=O)Cn1cc(nn1)[*:1])c1ccncc1
Cc1ccc([C@H](NC(=O)Cn2cc(C(C)C)nn2)c2ccncc2)cc1C c1cc(ccn1)[*:1] Cc1ccc(cc1C)[C@H](NC(=O)Cn1cc(nn1)C(C)C)[*:1]
Cc1ccc([C@H](NC(=O)Cn2cc(C(C)C)nn2)c2ccncc2)cc1C Cc1ccc(cc1C)[*:1] CC(C)c1cn(CC(=O)N[C@H](c2ccncc2)[*:1])nn1
Cc1ccc([C@H](NC(=O)Cn2cc(C(C)C)nn2)c2ccncc2)cc1C CC(C)c1cn(nn1)[*:1] Cc1ccc(cc1C)[C@H](NC(=O)C[*:1])c1ccncc1
C=CCS(=O)(=O)/N=C([O-])/C=C/c1cnn(C)c1C C=CC[*:1] Cc1c(/C=C/C([O-])=N/S(=O)(=O)[*:1])cnn1C
CCC[NH2+]C1CC(C(=O)[O-])C1 O=C([O-])[*:1] CCC[NH2+]C1CC(C1)[*:1]
CCC[NH2+]C1CC(C(=O)[O-])C1 CCC[*:1] O=C([O-])C1CC(C1)[NH2+][*:1]
O=C1C[C@H]([NH2+][C@H]2CCCc3sccc32)CN1CC(F)(F)F FC(F)(F)[*:1] O=C1C[C@@H](CN1C[*:1])[NH2+][C@H]1CCCc2sccc21
O=C1C[C@H]([NH2+][C@H]2CCCc3sccc32)CN1CC(F)(F)F FC(F)(F)C[*:1] O=C1C[C@@H](CN1[*:1])[NH2+][C@H]1CCCc2sccc21
C#CCNCC(=O)N(CC(F)(F)F)C1CC1 C#CCN[*:1] O=C(C[*:1])N(CC(F)(F)F)C1CC1
C#CCNCC(=O)N(CC(F)(F)F)C1CC1 C#CCNC[*:1] O=C(N(CC(F)(F)F)C1CC1)[*:1]
C#CCNCC(=O)N(CC(F)(F)F)C1CC1 C#CC[*:1] O=C(CN[*:1])N(CC(F)(F)F)C1CC1
C#CCNCC(=O)N(CC(F)(F)F)C1CC1 C1CC1[*:1] C#CCNCC(=O)N(CC(F)(F)F)[*:1]
C#CCNCC(=O)N(CC(F)(F)F)C1CC1 FC(F)(F)[*:1] C#CCNCC(=O)N(C[*:1])C1CC1
C#CCNCC(=O)N(CC(F)(F)F)C1CC1 FC(F)(F)C[*:1] C#CCNCC(=O)N(C1CC1)[*:1]
CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 CCS(=O)(=O)N(C)[*:1] Fc1cc(cc(c1)C(F)(F)F)C[NH+]1CCC(CC1)[*:1]
CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CCS(=O)(=O)N(C)C1CC[NH+](CC1)Cc1cc(F)cc(c1)[*:1]
CCC(CC)(NC(=O)c1cncc(Br)c1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)c1cncc(Br)c1)[*:1]
C[C@@H](Oc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N(C)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](Oc1ccc(cc1)S(=O)(=O)N(C)C)C(=O)N(C)[*:1]
C[C@@H](Oc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N(C)C1CCCCC1 CN(C)S(=O)(=O)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)N(C)C1CCCCC1
O=C([O-])[C@H](CCOCC(F)(F)F)c1ccccc1Cl FC(F)(F)C[*:1] O=C([O-])[C@H](CCO[*:1])c1ccccc1Cl
O=C([O-])[C@H](CCOCC(F)(F)F)c1ccccc1Cl FC(F)(F)[*:1] O=C([O-])[C@H](CCOC[*:1])c1ccccc1Cl
O=C([O-])[C@H](CCOCC(F)(F)F)c1ccccc1Cl O=C([O-])[*:1] FC(F)(F)COCC[C@H](c1ccccc1Cl)[*:1]
O=C([O-])[C@H](CCOCC(F)(F)F)c1ccccc1Cl FC(F)(F)CO[*:1] O=C([O-])[C@H](CC[*:1])c1ccccc1Cl
CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 C1CCC(CC1)[*:1] CC(C)n1cc(C(=O)NC[*:1])c(=O)c(c1)C(=O)N1C[C@H](C)O[C@H](C)C1
CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1cn(cc(C(=O)NCC2CCCCC2)c1=O)[*:1]
CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 C1CCC(CC1)C[*:1] CC(C)n1cc(C(=O)N[*:1])c(=O)c(c1)C(=O)N1C[C@H](C)O[C@H](C)C1
CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 O=C(NCC1CCCCC1)[*:1] CC(C)n1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c(=O)c(c1)[*:1]
CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NCC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)CN(C[C@@]1(C)C(=O)NCC(=O)NC[*:1])S(C)(=O)=O
CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NCC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CN1C(=O)CN(C[C@@]1(C)C(=O)NCC(=O)N[*:1])S(C)(=O)=O
CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[*:1]
CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[*:1]
CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 CC[C@@H](C)[*:1] O=C(N[C@@H](C(=O)NC[C@@H]1CCCO1)[*:1])[C@@H]1Cc2ccccc2CN1
CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@@H]1CCCO1 O=C(NC[C@@H]1CCCO1)[*:1] CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)[*:1]
CO/N=C/c1ccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] CO/N=C/c1ccc(cc1)C(=O)Nc1ccc(C)c(c1)[*:1]
CO/N=C/c1ccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 CON=C[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)c1ccc(cc1)[*:1]
CSc1nc2nc(C)c(CCC(=O)N(Cc3ccccc3)c3ccccn3)c(C)n2n1 c1ccc(cc1)C[*:1] CSc1nc2nc(C)c(CCC(=O)N(c3ccccn3)[*:1])c(C)n2n1
CSc1nc2nc(C)c(CCC(=O)N(Cc3ccccc3)c3ccccn3)c(C)n2n1 c1ccc(nc1)[*:1] CSc1nc2nc(C)c(CCC(=O)N(Cc3ccccc3)[*:1])c(C)n2n1
CSc1nc2nc(C)c(CCC(=O)N(Cc3ccccc3)c3ccccn3)c(C)n2n1 c1ccc(cc1)[*:1] CSc1nc2nc(C)c(CCC(=O)N(C[*:1])c3ccccn3)c(C)n2n1
Cc1cc(-n2c(C)cc(C(=O)N[C@@H](CO)c3ccccc3F)c2C)no1 Fc1ccccc1[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)N[C@@H](CO)[*:1])c1C
Cc1cc(-n2c(C)cc(C(=O)N[C@@H](CO)c3ccccc3F)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)N[C@@H](CO)c2ccccc2F)c(C)n1[*:1]
O=C(NCC1(c2ccccc2)CCOCC1)C1CCCC1 C1CCC(C1)[*:1] O=C(NCC1(CCOCC1)c1ccccc1)[*:1]
O=C(NCC1(c2ccccc2)CCOCC1)C1CCCC1 c1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])C1CCCC1
COc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(c3cccc(Cl)c3)CC1)CO2 Clc1cccc(c1)[*:1] COc1ccc2OC[C@@H](Cc2c1)NC(=O)N1CCN(CC1)[*:1]
CC(=O)c1cc(F)ccc1OCc1nnnn1-c1ccccc1 CC(=O)[*:1] Fc1ccc(OCc2nnnn2-c2ccccc2)c(c1)[*:1]
CC(=O)c1cc(F)ccc1OCc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1cc(F)ccc1OCc1nnnn1[*:1]
Cc1cc2nc(NC(=O)[C@H]3[C@@H](C(=O)[O-])[C@@H]4C=C[C@H]3C4)sc2cc1C O=C([O-])[*:1] Cc1cc2nc(NC(=O)[C@H]3[C@@H]([C@@H]4C=C[C@H]3C4)[*:1])sc2cc1C
CNC(=O)C1CCN(C(=O)c2cnc(C)cn2)CC1 CNC(=O)[*:1] Cc1cnc(cn1)C(=O)N1CCC(CC1)[*:1]
O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)Nc1ccncc1 O=C(C[*:1])Nc1ccncc1 O=c1oc2cc(ccc2cc1-c1cc(F)cc(F)c1)O[*:1]
O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)Nc1ccncc1 Fc1cc(F)cc(c1)[*:1] O=C(COc1ccc2cc(c(=O)oc2c1)[*:1])Nc1ccncc1
O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)N[*:1]
O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)Nc1ccncc1 O=C(Nc1ccncc1)[*:1] O=c1oc2cc(ccc2cc1-c1cc(F)cc(F)c1)OC[*:1]
N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCCN(C1)[*:1]
O=C(N[C@@H]1C=CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(N[C@@H]1C=CCCC1)N[C@@H]1CCCN(C[*:1])C1=O
O=C(N[C@@H]1C=CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] O=C(N[C@@H]1C=CCCC1)N[C@@H]1CCCN(C1=O)[*:1]
C#Cc1cc(F)c(NC(=O)c2cc(S(N)(=O)=O)c(C)o2)c(F)c1 NS(=O)(=O)[*:1] C#Cc1cc(F)c(NC(=O)c2cc(c(C)o2)[*:1])c(F)c1
O[C@H](COCc1ccco1)Cn1cc(I)cn1 c1coc(c1)[*:1] O[C@H](COC[*:1])Cn1cc(I)cn1
C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 Fc1cccc(c1)C[*:1] C[C@@H](C[*:1])C(=O)N(C)c1ccc(cc1)S(C)(=O)=O
C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 Fc1cccc(c1)[*:1] C[C@@H](CC[*:1])C(=O)N(C)c1ccc(cc1)S(C)(=O)=O
C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1ccc(cc1)[*:1]
CN1C[C@@H]([NH2+][C@H](c2cccs2)C2CC2)CC1=O C1CC1[*:1] CN1C[C@H](CC1=O)[NH2+][C@H](c1cccs1)[*:1]
CN1C[C@@H]([NH2+][C@H](c2cccs2)C2CC2)CC1=O c1csc(c1)[*:1] CN1C[C@H](CC1=O)[NH2+][C@H](C1CC1)[*:1]
O=C(c1nc(C2CC2)n2ccccc12)N1CCC([C@H](O)C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1nc(C2CC2)n2ccccc12)N1CCC(CC1)[C@H](O)[*:1]
O=C(c1nc(C2CC2)n2ccccc12)N1CCC([C@H](O)C(F)(F)F)CC1 C1CC1[*:1] O=C(c1nc(n2ccccc12)[*:1])N1CCC(CC1)[C@H](O)C(F)(F)F
Cc1cccc([C@@H](CCC[C@@H]2CCCO2)C(=O)[O-])c1 C1CO[C@@H](C1)C[*:1] Cc1cccc(c1)[C@@H](CC[*:1])C(=O)[O-]
Cc1cccc([C@@H](CCC[C@@H]2CCCO2)C(=O)[O-])c1 O=C([O-])[*:1] Cc1cccc(c1)[C@@H](CCC[C@@H]1CCCO1)[*:1]
Cc1cccc([C@@H](CCC[C@@H]2CCCO2)C(=O)[O-])c1 C1CO[C@@H](C1)[*:1] Cc1cccc(c1)[C@@H](CCC[*:1])C(=O)[O-]
CCC[NH+]1CCN(c2cc(C(C)=O)ccn2)CC1 CC(=O)[*:1] CCC[NH+]1CCN(CC1)c1cc(ccn1)[*:1]
CCC[NH+]1CCN(c2cc(C(C)=O)ccn2)CC1 CCC[*:1] CC(=O)c1ccnc(c1)N1CC[NH+](CC1)[*:1]
Cc1cc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)no1 Clc1ccccc1[*:1] Cc1cc(no1)NC(=O)c1cnn(c1)C[*:1]
Cc1cc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])c1cnn(c1)Cc1ccccc1Cl
CCOCC(=O)NNC(=O)/C=C/c1cccc2ccccc12 CCO[*:1] O=C(/C=C/c1cccc2ccccc12)NNC(=O)C[*:1]
CCOCC(=O)NNC(=O)/C=C/c1cccc2ccccc12 CCOC[*:1] O=C(/C=C/c1cccc2ccccc12)NNC(=O)[*:1]
Cn1nnnc1SCC(=O)Nc1scnc1-c1ccc(F)cc1 Cn1nnnc1S[*:1] O=C(C[*:1])Nc1scnc1-c1ccc(F)cc1
Cn1nnnc1SCC(=O)Nc1scnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1nnnc1SCC(=O)Nc1scnc1[*:1]
Cn1nnnc1SCC(=O)Nc1scnc1-c1ccc(F)cc1 Cn1nnnc1[*:1] O=C(CS[*:1])Nc1scnc1-c1ccc(F)cc1
C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1sccc1C#N N#Cc1ccsc1[*:1] C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N[*:1]
C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1sccc1C#N C1CC1[*:1] C[C@@H](Sc1nnc(n1-c1ccccc1)[*:1])C(=O)Nc1sccc1C#N
C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1sccc1C#N c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1[*:1])C(=O)Nc1sccc1C#N
CCC[NH+]1CCN([C@@H]2CCC[C@@H](O)C2)CC1 CCC[*:1] O[C@@H]1CCC[C@H](C1)N1CC[NH+](CC1)[*:1]
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 c1csc(n1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1cccc(c1)[N+](=O)[O-])[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(c2)[N+](=O)[O-])N1c1nccs1
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@H](c2cccc(c2)[N+](=O)[O-])N1c1nccs1)[*:1]
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 O=[N+]([O-])[*:1] O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(c1)[*:1])c1ccccc1
Cn1cc(C(=O)NCCCc2cccc(F)c2)c(-c2ccccc2)n1 Fc1cccc(c1)C[*:1] Cn1cc(C(=O)NCC[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)NCCCc2cccc(F)c2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)NCCCc2cccc(F)c2)c(n1)[*:1]
Cn1cc(C(=O)NCCCc2cccc(F)c2)c(-c2ccccc2)n1 Fc1cccc(c1)[*:1] Cn1cc(C(=O)NCCC[*:1])c(n1)-c1ccccc1
COc1ccccc1-c1cccc(NC(=O)NCc2cc(Cl)ccn2)c1 COc1ccccc1[*:1] O=C(NCc1cc(Cl)ccn1)Nc1cccc(c1)[*:1]
COc1ccccc1-c1cccc(NC(=O)NCc2cc(Cl)ccn2)c1 Clc1ccnc(c1)[*:1] COc1ccccc1-c1cccc(c1)NC(=O)NC[*:1]
COc1ccccc1-c1cccc(NC(=O)NCc2cc(Cl)ccn2)c1 Clc1ccnc(c1)C[*:1] COc1ccccc1-c1cccc(c1)NC(=O)N[*:1]
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccs1 O=[N+]([O-])[*:1] O=C(N/N=C/c1cccc(c1)[*:1])c1cccs1
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccs1 c1csc(c1)[*:1] O=C(N/N=C/c1cccc(c1)[N+](=O)[O-])[*:1]
CCOC(=O)CCc1cc(OC)ccc1OC CCOC(=O)[*:1] COc1ccc(OC)c(c1)CC[*:1]
COCC[NH2+]Cc1ccn(C[C@H]2Cc3ccccc3S2)c1 COC[*:1] c1ccc2S[C@H](Cc2c1)Cn1ccc(c1)C[NH2+]C[*:1]
COCC[NH2+]Cc1ccn(C[C@H]2Cc3ccccc3S2)c1 COCC[*:1] c1ccc2S[C@H](Cc2c1)Cn1ccc(c1)C[NH2+][*:1]
COc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NC[C@H]4CCCO4)CC3)s2)cc1 COc1ccc(cc1)NC(=O)[*:1] O=C(NC[C@H]1CCCO1)C1CCN(CC1)C(=O)c1nnc(s1)[*:1]
COc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NC[C@H]4CCCO4)CC3)s2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)C(=O)N1CCC(CC1)C(=O)NC[C@H]1CCCO1
CCCCCN(C)c1ccccc1[C@@H](C)[NH3+] CCCC[*:1] C[C@@H]([NH3+])c1ccccc1N(C)C[*:1]
CCCCCN(C)c1ccccc1[C@@H](C)[NH3+] CCC[*:1] C[C@@H]([NH3+])c1ccccc1N(C)CC[*:1]
CCCCCN(C)c1ccccc1[C@@H](C)[NH3+] CCCCC[*:1] C[C@@H]([NH3+])c1ccccc1N(C)[*:1]
COc1ccc(Nc2ncnc(NN)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)Nc1ncnc(NN)c1[*:1]
Cc1ccc(S(=O)(=O)C[C@H](O)CO)cc1 OC[C@@H](O)C[*:1] Cc1ccc(cc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)C[C@H](O)CO)cc1 OC[C@@H](O)[*:1] Cc1ccc(cc1)S(=O)(=O)C[*:1]
CCn1c(-c2ccco2)nn(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1=S c1ccc(cc1)[*:1] CCn1c(nn(CN(C)[C@@H](c2ccc(F)cc2)[*:1])c1=S)-c1ccco1
CCn1c(-c2ccco2)nn(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1=S Fc1ccc(cc1)[*:1] CCn1c(nn(CN(C)[C@@H](c2ccccc2)[*:1])c1=S)-c1ccco1
CCn1c(-c2ccco2)nn(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1=S c1coc(c1)[*:1] CCn1c(nn(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1=S)[*:1]
O=C(CCc1ccccc1)N[C@@H]1CCCN(c2ccccc2F)C1=O c1ccc(cc1)C[*:1] O=C(C[*:1])N[C@@H]1CCCN(C1=O)c1ccccc1F
O=C(CCc1ccccc1)N[C@@H]1CCCN(c2ccccc2F)C1=O c1ccc(cc1)CC[*:1] O=C1[C@@H](CCCN1c1ccccc1F)NC(=O)[*:1]
O=C(CCc1ccccc1)N[C@@H]1CCCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] O=C(CCc1ccccc1)N[C@@H]1CCCN(C1=O)[*:1]
O=C(CCc1ccccc1)N[C@@H]1CCCN(c2ccccc2F)C1=O c1ccc(cc1)[*:1] O=C(CC[*:1])N[C@@H]1CCCN(C1=O)c1ccccc1F
COc1cccc(CO[C@H](C)C(=O)N[C@@H](C)c2nnc3n2CCC3)c1 C1Cc2nnc(n2C1)[*:1] COc1cccc(c1)CO[C@H](C)C(=O)N[C@@H](C)[*:1]
COc1cccc(CO[C@H](C)C(=O)N[C@@H](C)c2nnc3n2CCC3)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)[C@@H](C)OC[*:1])c1nnc2CCCn21
Cc1[nH]ncc1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 Cc1[nH]ncc1[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@H](NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1cc2ccccc2o1 CC(C)(C)[*:1] C[C@H](NC(=O)C=C1CN(C1)C(=O)O[*:1])c1cc2ccccc2o1
Cc1nccn1-c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)C(C)C)cn1 c1ccc(cc1)[*:1] Cc1nccn1-c1ccc(cn1)NC(=O)C(=O)NC[C@@H](C(C)C)[*:1]
Cc1nccn1-c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)C(C)C)cn1 CC(C)[*:1] Cc1nccn1-c1ccc(cn1)NC(=O)C(=O)NC[C@@H](c1ccccc1)[*:1]
Cc1nccn1-c1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)C(C)C)cn1 Cc1nccn1[*:1] CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(nc1)[*:1])c1ccccc1
COC(=O)c1[nH]c(COc2ncnc3ccccc23)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1[nH]c(COc2ncnc3ccccc23)c(c1C)[*:1]
COC(=O)c1[nH]c(COc2ncnc3ccccc23)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1c(COc2ncnc3ccccc23)[nH]c(c1C)[*:1]
Cc1cc(N(C)C)nc([C@]2(C)CCCN2C(=O)Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(nc(n1)[C@]1(C)CCCN1C(=O)C[*:1])N(C)C
Cc1cc(N(C)C)nc([C@]2(C)CCCN2C(=O)Cc2ccccc2)n1 CN(C)[*:1] Cc1cc(nc(n1)[C@]1(C)CCCN1C(=O)Cc1ccccc1)[*:1]
Cc1cc(N(C)C)nc([C@]2(C)CCCN2C(=O)Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(nc(n1)[C@]1(C)CCCN1C(=O)[*:1])N(C)C
Cc1cc(-c2noc(COc3ccccc3[N+](=O)[O-])n2)c2ccccc2n1 O=[N+]([O-])[*:1] Cc1cc(-c2noc(COc3ccccc3[*:1])n2)c2ccccc2n1
Cc1cc(-c2noc(COc3ccccc3[N+](=O)[O-])n2)c2ccccc2n1 O=[N+]([O-])c1ccccc1[*:1] Cc1cc(-c2noc(CO[*:1])n2)c2ccccc2n1
COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1O Cc1ccc(cc1)[*:1] COc1cccc(/C=C2\SC(=O)N(CC(=O)N[*:1])C2=O)c1O
COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1O COc1cccc(c1O)[*:1] Cc1ccc(cc1)NC(=O)CN1C(=O)SC(=C[*:1])C1=O
CCO[C@H](C)c1nccn1CC(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCO[C@H](C)c1nccn1CC(=O)N[C@@H](C)[*:1]
CCO[C@H](C)c1nccn1CC(=O)N[C@@H](C)c1ccccc1 CCO[*:1] C[C@H](NC(=O)Cn1ccnc1[C@@H](C)[*:1])c1ccccc1
CCO[C@H](C)c1nccn1CC(=O)N[C@@H](C)c1ccccc1 CCO[C@H](C)[*:1] C[C@H](NC(=O)Cn1ccnc1[*:1])c1ccccc1
CC(C)(C)[NH2+]C[C@@H](c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 CC(C)(C)[*:1] O=S1(=O)CC[C@H](C1)[C@@H](C[NH2+][*:1])c1ccc(F)cc1
CC(C)(C)[NH2+]C[C@@H](c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] CC(C)(C)[NH2+]C[C@@H]([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)(C)[NH2+]C[C@@H](c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)(C)[NH2+]C[C@@H](c1ccc(F)cc1)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[*:1]
N#CCNC(=O)CN1CCO[C@H](CC(=O)[O-])C1 O=C([O-])C[*:1] N#CCNC(=O)CN1CCO[C@H](C1)[*:1]
N#CCNC(=O)CN1CCO[C@H](CC(=O)[O-])C1 O=C([O-])[*:1] N#CCNC(=O)CN1CCO[C@@H](C1)C[*:1]
N#CCNC(=O)CN1CCO[C@H](CC(=O)[O-])C1 N#CC[*:1] O=C([O-])C[C@@H]1CN(CCO1)CC(=O)N[*:1]
N#C/C(=C\c1ccco1)C(=O)Nc1cccc(C2SCCS2)c1 C1CSC(S1)[*:1] N#C/C(=C\c1ccco1)C(=O)Nc1cccc(c1)[*:1]
N#C/C(=C\c1ccco1)C(=O)Nc1cccc(C2SCCS2)c1 c1coc(c1)[*:1] N#CC(=C[*:1])C(=O)Nc1cccc(c1)C1SCCS1
COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N[C@@H]2CCC[C@H](C)C2)C(C)C)c1 CC(C)[*:1] COc1cc(cc(c1)C(=O)N[C@@H](C(=O)N[C@@H]1CCC[C@H](C)C1)[*:1])OC
C[C@H]([NH2+]CCCc1ccc(Cl)cc1)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H]([NH2+]CCCc1ccc(Cl)cc1)[*:1]
COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4ccccc4)C3)n[nH]2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccc1)N1CC[C@H](C1)c1cc(CCO[*:1])[nH]n1
COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4ccccc4)C3)n[nH]2)cc1 COc1ccc(cc1)O[*:1] O=C(c1ccccc1)N1CC[C@H](C1)c1cc(CC[*:1])[nH]n1
COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4ccccc4)C3)n[nH]2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)OCCc1cc(n[nH]1)[C@@H]1CCN(C1)C(=O)[*:1]
CC(C)Cn1cc(NC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cn1 CC(C)[*:1] O=C([C@@H]1CCCN1C(=O)Nc1cnn(c1)C[*:1])N1CCOCC1
CC(C)Cn1cc(NC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cn1 O=C(N1CCOCC1)[*:1] CC(C)Cn1cc(cn1)NC(=O)N1CCC[C@@H]1[*:1]
CC(C)Cn1cc(NC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cn1 CC(C)C[*:1] O=C([C@@H]1CCCN1C(=O)Nc1cnn(c1)[*:1])N1CCOCC1
O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1 FC(F)(F)O[*:1] O=S(=O)([N-]c1ccc(cc1)[*:1])c1cccc(Br)c1
O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1 FC(F)(F)[*:1] O=S(=O)([N-]c1ccc(cc1)O[*:1])c1cccc(Br)c1
O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=S(=O)([N-]c1ccc(cc1)OC(F)(F)F)[*:1]
CC[C@@H](C(C)C)N1CCC(=O)N2CCCC[C@@H]2C1=O CC(C)[*:1] CC[C@@H](N1CCC(=O)N2CCCC[C@@H]2C1=O)[*:1]
CC[C@@H](C(C)C)N1CCC(=O)N2CCCC[C@@H]2C1=O CC[C@@H](C(C)C)[*:1] O=C1CCN(C(=O)[C@H]2CCCCN12)[*:1]
CCOc1ccc2nc(S[C@@H](C(=O)[O-])c3ccccc3)[nH]c2c1 c1ccc(cc1)[*:1] CCOc1ccc2nc([nH]c2c1)S[C@@H](C(=O)[O-])[*:1]
CCOc1ccc2nc(S[C@@H](C(=O)[O-])c3ccccc3)[nH]c2c1 CCO[*:1] O=C([O-])[C@H](Sc1nc2ccc(cc2[nH]1)[*:1])c1ccccc1
CCOc1ccc2nc(S[C@@H](C(=O)[O-])c3ccccc3)[nH]c2c1 O=C([O-])[*:1] CCOc1ccc2nc([nH]c2c1)S[C@@H](c1ccccc1)[*:1]
Cc1ccc(N[C@H](CC(=O)c2ccccc2)C(=O)[O-])cc1Cl O=C([O-])[*:1] Cc1ccc(cc1Cl)N[C@H](CC(=O)c1ccccc1)[*:1]
Cc1ccc(N[C@H](CC(=O)c2ccccc2)C(=O)[O-])cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)N[C@H](CC(=O)[*:1])C(=O)[O-]
c1cc(-c2ncc(CN3CCCN(Cc4cscn4)CC3)s2)cs1 c1cc(cs1)[*:1] c1nc(cs1)CN1CCCN(CC1)Cc1cnc(s1)[*:1]
c1cc(-c2ncc(CN3CCCN(Cc4cscn4)CC3)s2)cs1 c1nc(cs1)[*:1] c1cc(cs1)-c1ncc(CN2CCCN(CC2)C[*:1])s1
c1cc(-c2ncc(CN3CCCN(Cc4cscn4)CC3)s2)cs1 c1nc(cs1)C[*:1] c1cc(cs1)-c1ncc(CN2CCCN(CC2)[*:1])s1
Cc1nnnn1-c1cc(NC(=O)c2cc(Cl)ccc2OC(C)C)ccc1F CC(C)O[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)c1cc(Cl)ccc1[*:1]
Cc1nnnn1-c1cc(NC(=O)c2cc(Cl)ccc2OC(C)C)ccc1F CC(C)[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)c1cc(Cl)ccc1O[*:1]
Cc1nnnn1-c1cc(NC(=O)c2cc(Cl)ccc2OC(C)C)ccc1F Cc1nnnn1[*:1] CC(C)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)(C)c1nc([C@H]2CCC[NH2+]C2)no1 CC(C)(C)[*:1] C1C[NH2+]C[C@H](C1)c1noc(n1)[*:1]
O=C(CSc1ccncc1)Nc1cnc(-c2ccccc2)nc1 c1cc(ccn1)[*:1] O=C(CS[*:1])Nc1cnc(nc1)-c1ccccc1
O=C(CSc1ccncc1)Nc1cnc(-c2ccccc2)nc1 c1ccc(cc1)[*:1] O=C(CSc1ccncc1)Nc1cnc(nc1)[*:1]
O=C(CSc1ccncc1)Nc1cnc(-c2ccccc2)nc1 c1cc(ccn1)S[*:1] O=C(C[*:1])Nc1cnc(nc1)-c1ccccc1
C[C@@H](NC(=S)Nc1cccc(Cl)c1)[C@@H](c1cccs1)N1CCOCC1 c1csc(c1)[*:1] C[C@@H](NC(=S)Nc1cccc(Cl)c1)[C@@H](N1CCOCC1)[*:1]
C[C@@H](NC(=S)Nc1cccc(Cl)c1)[C@@H](c1cccs1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](NC(=S)Nc1cccc(Cl)c1)[C@@H](c1cccs1)[*:1]
C[C@@H](NC(=S)Nc1cccc(Cl)c1)[C@@H](c1cccs1)N1CCOCC1 Clc1cccc(c1)[*:1] C[C@@H](NC(=S)N[*:1])[C@@H](c1cccs1)N1CCOCC1
CCCC(=O)N1CCC2(CC1)CN(CC[NH+](C)C1CCCCC1)C(=O)O2 CCC[*:1] C[NH+](CCN1CC2(CCN(CC2)C(=O)[*:1])OC1=O)C1CCCCC1
CCCC(=O)N1CCC2(CC1)CN(CC[NH+](C)C1CCCCC1)C(=O)O2 C1CCC(CC1)[*:1] CCCC(=O)N1CCC2(CC1)CN(CC[NH+](C)[*:1])C(=O)O2
O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nc1cc2OCCOc2cc1Br)[*:1]
COCCN(C(=O)c1ccc(-n2cnc3ccccc32)nc1)c1ccncc1 COC[*:1] O=C(c1ccc(nc1)-n1cnc2ccccc21)N(C[*:1])c1ccncc1
COCCN(C(=O)c1ccc(-n2cnc3ccccc32)nc1)c1ccncc1 c1ccc2c(c1)ncn2[*:1] COCCN(C(=O)c1ccc(nc1)[*:1])c1ccncc1
COCCN(C(=O)c1ccc(-n2cnc3ccccc32)nc1)c1ccncc1 COCC[*:1] O=C(c1ccc(nc1)-n1cnc2ccccc21)N(c1ccncc1)[*:1]
COCCN(C(=O)c1ccc(-n2cnc3ccccc32)nc1)c1ccncc1 c1cc(ccn1)[*:1] COCCN(C(=O)c1ccc(nc1)-n1cnc2ccccc21)[*:1]
O=C(NCc1ccco1)c1cn(C2C[NH2+]C2)nn1 c1coc(c1)C[*:1] O=C(N[*:1])c1cn(nn1)C1C[NH2+]C1
O=C(NCc1ccco1)c1cn(C2C[NH2+]C2)nn1 c1coc(c1)[*:1] O=C(NC[*:1])c1cn(nn1)C1C[NH2+]C1
C[NH+](CCn1cnnc1)Cc1ccc(-n2cncn2)cc1 c1nncn1C[*:1] C[NH+](Cc1ccc(cc1)-n1cncn1)C[*:1]
C[NH+](CCn1cnnc1)Cc1ccc(-n2cncn2)cc1 c1nncn1[*:1] C[NH+](CC[*:1])Cc1ccc(cc1)-n1cncn1
C[NH+](CCn1cnnc1)Cc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[NH+](CCn1cnnc1)Cc1ccc(cc1)[*:1]
C[C@H](NC(=O)c1nnn[n-]1)c1ccccc1OC(F)F FC(F)O[*:1] C[C@H](NC(=O)c1nnn[n-]1)c1ccccc1[*:1]
C[C@H](NC(=O)c1nnn[n-]1)c1ccccc1OC(F)F FC(F)[*:1] C[C@H](NC(=O)c1nnn[n-]1)c1ccccc1O[*:1]
CCc1ccc(C(C)(C)CNC(=O)C(=O)Nc2cncc(C)c2)cc1 CCc1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)C(=O)NCC(C)(C)[*:1]
CCc1ccc(C(C)(C)CNC(=O)C(=O)Nc2cncc(C)c2)cc1 Cc1cncc(c1)[*:1] CCc1ccc(cc1)C(C)(C)CNC(=O)C(=O)N[*:1]
CC(C)[NH+]1CCC(C(=O)NCc2n[nH]c(N)n2)CC1 Nc1nc(n[nH]1)[*:1] CC(C)[NH+]1CCC(CC1)C(=O)NC[*:1]
CC(C)[NH+]1CCC(C(=O)NCc2n[nH]c(N)n2)CC1 CC(C)[*:1] Nc1nc(CNC(=O)C2CC[NH+](CC2)[*:1])n[nH]1
CCNc1cccc(Cn2nc(C)c(Br)c2C)n1 CCN[*:1] Cc1nn(Cc2cccc(n2)[*:1])c(C)c1Br
Cn1c(SCc2csc(COc3ccc(F)cc3)n2)nc2ccsc2c1=O Fc1ccc(cc1)O[*:1] Cn1c(nc2ccsc2c1=O)SCc1csc(C[*:1])n1
Cn1c(SCc2csc(COc3ccc(F)cc3)n2)nc2ccsc2c1=O Fc1ccc(cc1)OC[*:1] Cn1c(nc2ccsc2c1=O)SCc1csc(n1)[*:1]
Cn1c(SCc2csc(COc3ccc(F)cc3)n2)nc2ccsc2c1=O Fc1ccc(cc1)[*:1] Cn1c(nc2ccsc2c1=O)SCc1csc(CO[*:1])n1
CN(C)C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] CN(C)C(=O)c1cc2cccnc2n(c1=O)[*:1]
CN(C)C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] CN(C)C(=O)c1cc2cccnc2n(C[*:1])c1=O
CN(C)C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O CN(C)C(=O)[*:1] O=c1c(cc2cccnc2n1Cc1ccccc1)[*:1]
Cc1cc(Br)cc([N+](=O)[O-])c1OCCC[C@](C)(N)C#N C[C@@](N)(C#N)C[*:1] Cc1cc(Br)cc(c1OCC[*:1])[N+](=O)[O-]
Cc1cc(Br)cc([N+](=O)[O-])c1OCCC[C@](C)(N)C#N O=[N+]([O-])[*:1] Cc1cc(Br)cc(c1OCCC[C@](C)(N)C#N)[*:1]
CCn1ccc(=O)c(NC(=O)[C@H]2C[C@H]2C)c1 C[C@@H]1C[C@@H]1[*:1] CCn1ccc(=O)c(c1)NC(=O)[*:1]
CCOc1ccc(C(=S)N2CC[NH+](CCO)CC2)cc1 OCC[*:1] CCOc1ccc(cc1)C(=S)N1CC[NH+](CC1)[*:1]
CCOc1ccc(C(=S)N2CC[NH+](CCO)CC2)cc1 CCO[*:1] OCC[NH+]1CCN(CC1)C(=S)c1ccc(cc1)[*:1]
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cn(Cc2ccccc2)nn1 Fc1ccc(F)c(c1)[*:1] C[C@H](N(C)C(=O)c1cn(Cc2ccccc2)nn1)[*:1]
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cn(Cc2ccccc2)nn1 c1ccc(cc1)[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cn(C[*:1])nn1
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cn(Cc2ccccc2)nn1 c1ccc(cc1)C[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cn(nn1)[*:1]
CC(C)OC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3 CC(C)[*:1] CN1CCc2nc3sc(C(=O)O[*:1])c(N)c3c(-c3cccs3)c2C1
CC(C)OC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3 CC(C)OC(=O)[*:1] CN1CCc2nc3sc(c(N)c3c(-c3cccs3)c2C1)[*:1]
CC(C)OC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3 c1csc(c1)[*:1] CC(C)OC(=O)c1sc2nc3CCN(C)Cc3c(c2c1N)[*:1]
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCc2cn[nH]c2C1 C1CO[C@@H](C1)C[*:1] COc1ccccc1CN(C(=O)[C@@H]1CCc2cn[nH]c2C1)[*:1]
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCc2cn[nH]c2C1 C1CO[C@@H](C1)[*:1] COc1ccccc1CN(C[*:1])C(=O)[C@@H]1CCc2cn[nH]c2C1
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCc2cn[nH]c2C1 COc1ccccc1[*:1] O=C([C@@H]1CCc2cn[nH]c2C1)N(C[C@@H]1CCCO1)C[*:1]
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCc2cn[nH]c2C1 COc1ccccc1C[*:1] O=C([C@@H]1CCc2cn[nH]c2C1)N(C[C@@H]1CCCO1)[*:1]
O=C(CS(=O)(=O)Cc1cn2ccccc2n1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CS(=O)(=O)Cc1cn2ccccc2n1)N[*:1]
O=C(CS(=O)(=O)Cc1cn2ccccc2n1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)Cc1cn2ccccc2n1)NC[*:1]
CCOc1c(Br)cc([C@H]2NC(=O)[C@H]3CCCCN23)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])[C@H]1NC(=O)[C@H]2CCCCN12
N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)Cn1nc(-c3ccco3)oc1=O)CCCC2 c1coc(c1)[*:1] N#Cc1c2CCCCc2n(C[C@@H]2CCCO2)c1NC(=O)Cn1nc(oc1=O)[*:1]
Cc1ccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1Cl C1CN(CCO1)[*:1] Cc1ccc(cc1Cl)N1C(=O)C[C@@H](C1=O)[*:1]
CSc1ccc(NCc2noc(Cc3ccccc3C)n2)cc1F Cc1ccccc1[*:1] CSc1ccc(cc1F)NCc1noc(C[*:1])n1
CSc1ccc(NCc2noc(Cc3ccccc3C)n2)cc1F Cc1ccccc1C[*:1] CSc1ccc(cc1F)NCc1noc(n1)[*:1]
COc1ccc(N2C[C@@H](C(=O)N(C)c3cccc(C#N)c3)CC2=O)cc1 COc1ccc(cc1)[*:1] CN(C(=O)[C@H]1CC(=O)N(C1)[*:1])c1cccc(C#N)c1
COc1ccc(N2C[C@@H](C(=O)N(C)c3cccc(C#N)c3)CC2=O)cc1 N#Cc1cccc(c1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N(C)[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NCc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)NCc1ccccc1
COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)NC[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)N[*:1]
COc1cc(F)c([C@@H](C)NC(=O)COC2CCCCC2)cc1OC C1CCC(CC1)O[*:1] COc1cc(F)c(cc1OC)[C@@H](C)NC(=O)C[*:1]
COc1cc(F)c([C@@H](C)NC(=O)COC2CCCCC2)cc1OC C1CCC(CC1)OC[*:1] COc1cc(F)c(cc1OC)[C@@H](C)NC(=O)[*:1]
COc1cc(F)c([C@@H](C)NC(=O)COC2CCCCC2)cc1OC C1CCC(CC1)[*:1] COc1cc(F)c(cc1OC)[C@@H](C)NC(=O)CO[*:1]
COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 COC[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)Cc1c(F)cccc1Cl)[*:1]
COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 Fc1cccc(Cl)c1[*:1] COC[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)C[*:1]
COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 COC[C@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)Cc1c(F)cccc1Cl
COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 COC[C@H](C)NC(=O)[*:1] O=S(=O)(Cc1c(F)cccc1Cl)N1CCC(CC1)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2sccc2C)C[C@H]1C COC(=O)[*:1] Cc1ccsc1C(=O)N1C[C@@H](C)[C@@H](C1)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2sccc2C)C[C@H]1C Cc1ccsc1[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)[*:1]
C[C@@H]1CC(C(=O)Nc2cccc(OCCF)c2)C[C@@H](C)O1 FCCO[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H]1CC(C(=O)Nc2cccc(OCCF)c2)C[C@@H](C)O1 FCC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1cccc(c1)O[*:1]
CCn1cc[nH+]c1[C@@H](N)[C@H](C)OC CO[C@@H](C)[*:1] CCn1cc[nH+]c1[C@@H](N)[*:1]
COc1ccc(OC)c(-c2cc(C(=O)OCc3scnc3C)no2)c1 Cc1ncsc1[*:1] COc1ccc(OC)c(c1)-c1cc(no1)C(=O)OC[*:1]
COc1ccc(OC)c(-c2cc(C(=O)OCc3scnc3C)no2)c1 Cc1ncsc1C[*:1] COc1ccc(OC)c(c1)-c1cc(no1)C(=O)O[*:1]
FC(F)(F)c1cn2c(n1)CN(Cc1nnnn1Cc1cccs1)CC2 c1csc(c1)C[*:1] FC(F)(F)c1cn2CCN(Cc2n1)Cc1nnnn1[*:1]
FC(F)(F)c1cn2c(n1)CN(Cc1nnnn1Cc1cccs1)CC2 c1csc(c1)[*:1] FC(F)(F)c1cn2CCN(Cc2n1)Cc1nnnn1C[*:1]
FC(F)(F)c1cn2c(n1)CN(Cc1nnnn1Cc1cccs1)CC2 FC(F)(F)[*:1] c1csc(c1)Cn1nnnc1CN1CCn2cc(nc2C1)[*:1]
C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H]1CCO[C@@H]1C Brc1ccc(cc1)[*:1] C[C@H]1[C@H](OCCN1C(=O)[C@@H]1CCO[C@@H]1C)[*:1]
Cc1cc(C)n(-c2cccc(C(=O)NC[C@@H](C)n3nc(C)c(C)c3C)c2)n1 Cc1cc(C)n(n1)[*:1] Cc1nn(c(C)c1C)[C@H](C)CNC(=O)c1cccc(c1)[*:1]
Cc1cc(C)n(-c2cccc(C(=O)NC[C@@H](C)n3nc(C)c(C)c3C)c2)n1 Cc1nn(c(C)c1C)[*:1] Cc1cc(C)n(n1)-c1cccc(c1)C(=O)NC[C@@H](C)[*:1]
COc1ccc(C(C)(C)C)cc1N[C@@H]1CC[NH2+]C1 CC(C)(C)[*:1] COc1ccc(cc1N[C@@H]1CC[NH2+]C1)[*:1]
COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 COc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1cccc(c1)[N+](=O)[O-])n1nc(ccc1=O)[*:1]
COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)N[*:1]
Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH2+]Cc1cscn1 c1nc(cs1)C[*:1] Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH2+][*:1]
Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH2+]Cc1cscn1 c1nc(cs1)[*:1] Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH2+]C[*:1]
Cc1cnc(NC(=O)c2ccc(N3CCCCC3)cc2)s1 C1CCN(CC1)[*:1] Cc1cnc(NC(=O)c2ccc(cc2)[*:1])s1
Cc1cnc(NC(=O)c2ccc(N3CCCCC3)cc2)s1 Cc1cnc(s1)[*:1] O=C(N[*:1])c1ccc(cc1)N1CCCCC1
C/C=C\C(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C C/C=C\C(=O)N[*:1] Cc1ccc(cc1[*:1])-c1cn2cccnc2n1
C/C=C\C(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C CC=C[*:1] Cc1ccc(cc1NC(=O)[*:1])-c1cn2cccnc2n1
Nn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCCC3 c1ccc(cc1)C[*:1] Nn1c(nc2sc3CCCCc3c2c1=O)S[*:1]
Nn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCCC3 c1ccc(cc1)[*:1] Nn1c(nc2sc3CCCCc3c2c1=O)SC[*:1]
Cc1ccc(/C=C/C(=O)[O-])c2ccccc12 O=C([O-])C=C[*:1] Cc1ccc(c2ccccc12)[*:1]
Cc1ccc(/C=C/C(=O)[O-])c2ccccc12 O=C([O-])[*:1] Cc1ccc(C=C[*:1])c2ccccc12
CO[C@@H](C)C(=O)Nc1cccc(-n2nnnc2SC)c1 CO[C@@H](C)[*:1] CSc1nnnn1-c1cccc(c1)NC(=O)[*:1]
C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1ccc(O)cc1 Clc1ccc(cc1Cl)[*:1] C/C(CC(=O)N[*:1])=N\NC(=O)c1ccc(O)cc1
C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)[*:1]
CCC[C@H](NC(=O)c1ccnn1C(C)C)c1cccs1 c1csc(c1)[*:1] CCC[C@H](NC(=O)c1ccnn1C(C)C)[*:1]
CCC[C@H](NC(=O)c1ccnn1C(C)C)c1cccs1 CCC[*:1] CC(C)n1nccc1C(=O)N[C@H](c1cccs1)[*:1]
CCC[C@H](NC(=O)c1ccnn1C(C)C)c1cccs1 CC(C)[*:1] CCC[C@H](NC(=O)c1ccnn1[*:1])c1cccs1
Cc1ccoc1[C@@H](C)[NH2+]CC1([C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccoc1[C@@H](C)[NH2+]CC1(CC1)[C@@H](O)[*:1]
Cc1ccoc1[C@@H](C)[NH2+]CC1([C@@H](O)c2ccccc2)CC1 Cc1ccoc1[*:1] C[C@@H]([NH2+]CC1(CC1)[C@@H](O)c1ccccc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)c2nnn3c2c([O-])nc2ccccc23)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)c1nnn2c1c([O-])nc1ccccc12)[*:1]
C[C@H](CCCl)S(=O)(=O)c1nc2ccccc2s1 ClCC[*:1] C[C@H](S(=O)(=O)c1nc2ccccc2s1)[*:1]
Clc1cccc(N2CCN(c3nc4ccccc4c4nc(-c5ccncc5)nn34)CC2)c1 c1cc(ccn1)[*:1] Clc1cccc(c1)N1CCN(CC1)c1nc2ccccc2c2nc(nn12)[*:1]
Clc1cccc(N2CCN(c3nc4ccccc4c4nc(-c5ccncc5)nn34)CC2)c1 Clc1cccc(c1)[*:1] c1ccc2c(c1)nc(N1CCN(CC1)[*:1])n1nc(nc21)-c1ccncc1
CCN(CC)C(=O)c1ccc(-n2ccnc2)c(-n2cccc2)c1 c1ccn(c1)[*:1] CCN(CC)C(=O)c1ccc(c(c1)[*:1])-n1ccnc1
CCN(CC)C(=O)c1ccc(-n2ccnc2)c(-n2cccc2)c1 CCN(CC)C(=O)[*:1] c1ccn(c1)-c1cc(ccc1-n1ccnc1)[*:1]
CCN(CC)C(=O)c1ccc(-n2ccnc2)c(-n2cccc2)c1 c1cn(cn1)[*:1] CCN(CC)C(=O)c1ccc(c(c1)-n1cccc1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)c1cccc(-c2nnc(C)o2)c1 Cc1nnc(o1)[*:1] CC[C@H](C)[C@@H](C)NC(=O)c1cccc(c1)[*:1]
CC[C@H](C)[C@@H](C)NC(=O)c1cccc(-c2nnc(C)o2)c1 CC[C@H](C)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)N[C@H](C)[*:1]
CSc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 O=C([O-])C[*:1] CSc1ccc(cc1)NC(=O)CC(C)(C)[*:1]
CSc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 O=C([O-])[*:1] CSc1ccc(cc1)NC(=O)CC(C)(C)C[*:1]
CC[N+](CC)=C(C)Nc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 CN(C)[*:1] CC[N+](CC)=C(C)Nc1cccc(c1)-c1cc(cnc1[*:1])C(F)(F)F
CC[N+](CC)=C(C)Nc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 CC[N+](CC)=C(C)N[*:1] CN(C)c1ncc(cc1-c1cccc(c1)[*:1])C(F)(F)F
CC[N+](CC)=C(C)Nc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 FC(F)(F)[*:1] CC[N+](CC)=C(C)Nc1cccc(c1)-c1cc(cnc1N(C)C)[*:1]
CCN(C)C(=O)COc1ccc(OCc2ccccc2)cc1 CCN(C)C(=O)[*:1] c1ccc(cc1)COc1ccc(cc1)OC[*:1]
CCN(C)C(=O)COc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCN(C)C(=O)COc1ccc(cc1)O[*:1]
CCN(C)C(=O)COc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCN(C)C(=O)COc1ccc(cc1)OC[*:1]
CCN(C)C(=O)COc1ccc(OCc2ccccc2)cc1 CCN(C)C(=O)C[*:1] c1ccc(cc1)COc1ccc(cc1)O[*:1]
CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccc(F)cc1)C3 Fc1ccc(cc1)C[*:1] CCc1cc(=O)oc2c3CN(COc3c(Cl)cc12)[*:1]
CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccc(F)cc1)C3 Fc1ccc(cc1)[*:1] CCc1cc(=O)oc2c3CN(COc3c(Cl)cc12)C[*:1]
Cc1ccc([C@H](CNC(=O)N(C[C@@H]2C[C@@H]2C)C(C)C)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@H](CNC(=O)N(C[C@@H]1C[C@@H]1C)C(C)C)[*:1]
Cc1ccc([C@H](CNC(=O)N(C[C@@H]2C[C@@H]2C)C(C)C)N2CCOCC2)o1 CC(C)[*:1] Cc1ccc(o1)[C@H](CNC(=O)N(C[C@@H]1C[C@@H]1C)[*:1])N1CCOCC1
Cc1ccc([C@H](CNC(=O)N(C[C@@H]2C[C@@H]2C)C(C)C)N2CCOCC2)o1 Cc1ccc(o1)[*:1] CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC[C@H](N1CCOCC1)[*:1]
O=C(Nc1nnc(CCc2ccccc2)s1)C1CCN(C(=O)c2cccs2)CC1 c1ccc(cc1)[*:1] O=C(Nc1nnc(CC[*:1])s1)C1CCN(CC1)C(=O)c1cccs1
O=C(Nc1nnc(CCc2ccccc2)s1)C1CCN(C(=O)c2cccs2)CC1 c1ccc(cc1)C[*:1] O=C(Nc1nnc(C[*:1])s1)C1CCN(CC1)C(=O)c1cccs1
O=C(Nc1nnc(CCc2ccccc2)s1)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(Nc1nnc(CCc2ccccc2)s1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1nnc(CCc2ccccc2)s1)C1CCN(C(=O)c2cccs2)CC1 c1ccc(cc1)CC[*:1] O=C(Nc1nnc(s1)[*:1])C1CCN(CC1)C(=O)c1cccs1
Cc1cccc(C)c1OCC(=O)NNC(=O)CCc1ccccc1O Oc1ccccc1[*:1] Cc1cccc(C)c1OCC(=O)NNC(=O)CC[*:1]
Cc1cccc(C)c1OCC(=O)NNC(=O)CCc1ccccc1O Oc1ccccc1C[*:1] Cc1cccc(C)c1OCC(=O)NNC(=O)C[*:1]
Cc1cccc(C)c1OCC(=O)NNC(=O)CCc1ccccc1O Cc1cccc(C)c1[*:1] O=C(CCc1ccccc1O)NNC(=O)CO[*:1]
NC(=O)CCN(Cc1ccccc1)Cc1cccc2cccnc12 NC(=O)CC[*:1] c1ccc(cc1)CN(Cc1cccc2cccnc12)[*:1]
NC(=O)CCN(Cc1ccccc1)Cc1cccc2cccnc12 c1ccc(cc1)[*:1] NC(=O)CCN(Cc1cccc2cccnc12)C[*:1]
NC(=O)CCN(Cc1ccccc1)Cc1cccc2cccnc12 NC(=O)[*:1] c1ccc(cc1)CN(CC[*:1])Cc1cccc2cccnc12
NC(=O)CCN(Cc1ccccc1)Cc1cccc2cccnc12 NC(=O)C[*:1] c1ccc(cc1)CN(Cc1cccc2cccnc12)C[*:1]
NC(=O)CCN(Cc1ccccc1)Cc1cccc2cccnc12 c1ccc(cc1)C[*:1] NC(=O)CCN(Cc1cccc2cccnc12)[*:1]
O=C(C[C@@H]1CCCN1c1nc2ccccn2c1[N+](=O)[O-])c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=[N+]([O-])c1c(nc2ccccn12)N1CCC[C@H]1C[*:1]
O=C(C[C@@H]1CCCN1c1nc2ccccn2c1[N+](=O)[O-])c1ccc(F)cc1 O=[N+]([O-])[*:1] O=C(C[C@@H]1CCCN1c1nc2ccccn2c1[*:1])c1ccc(F)cc1
O=C(C[C@@H]1CCCN1c1nc2ccccn2c1[N+](=O)[O-])c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[C@@H]1CCCN1c1nc2ccccn2c1[N+](=O)[O-])[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccc(Br)cc2=C1NC(=O)CSc1ccccc1 CCOC(=O)[*:1] O=C(CSc1ccccc1)NC1=c2cc(Br)ccc2=[NH+][C@@H]1[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccc(Br)cc2=C1NC(=O)CSc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1[NH+]=c2ccc(Br)cc2=C1NC(=O)CS[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccc(Br)cc2=C1NC(=O)CSc1ccccc1 c1ccc(cc1)S[*:1] CCOC(=O)[C@H]1[NH+]=c2ccc(Br)cc2=C1NC(=O)C[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccc(Br)cc2=C1NC(=O)CSc1ccccc1 c1ccc(cc1)SC[*:1] CCOC(=O)[C@H]1[NH+]=c2ccc(Br)cc2=C1NC(=O)[*:1]
Cc1cnc(C(C)(C)NC(=O)NC(C)C)s1 CC(C)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)N[*:1]
O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)NC(=S)NC(=O)[*:1])c1ccccc1
O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 O=C(N[*:1])c1ccccc1 O=C(NC(=S)Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(NC(=S)Nc1ccc(cc1)NC(=O)[*:1])c1ccc(Cl)cc1
CC[C@@H](C)NC(=O)CCNC(=O)c1csc2c1CCCC2 CC[C@@H](C)[*:1] O=C(CCNC(=O)c1csc2CCCCc12)N[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)c1csc2c1CCCC2 CC[C@@H](C)NC(=O)[*:1] O=C(NCC[*:1])c1csc2CCCCc12
Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1-n1cccn1 c1cnn(c1)[*:1] Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1[*:1]
Cc1sc(NC(=O)[C@H](C)n2c(=O)oc3ccccc32)nc1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)[C@H](C)n1c(=O)oc2ccccc21
C[C@H](O)CC(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] C[C@H](O)CC(C)(C)CNC(=O)Cc1ccc(cc1Cl)[*:1]
CO[C@H](C(=O)N1CCC[C@H](n2nc(C)cc2C)C1)c1ccccc1 Cc1cc(C)n(n1)[*:1] CO[C@H](C(=O)N1CCC[C@H](C1)[*:1])c1ccccc1
CO[C@H](C(=O)N1CCC[C@H](n2nc(C)cc2C)C1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)N1CCC[C@@H](C1)n1nc(C)cc1C)[*:1]
[NH3+]Cc1cnn(-c2ccccn2)c1C(F)(F)F FC(F)(F)[*:1] [NH3+]Cc1cnn(-c2ccccn2)c1[*:1]
CC[NH+]1CCCN(C(=O)Nc2cc(NC(C)=O)c(F)cc2F)CC1 CC(=O)N[*:1] CC[NH+]1CCCN(CC1)C(=O)Nc1cc(c(F)cc1F)[*:1]
COC(=O)C1=C(CSc2nc(N)cc(N)n2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 Nc1cc(N)nc(n1)S[*:1] COC(=O)C1=C(C[*:1])N(C(=O)N[C@H]1c1ccccc1)C1CC1
COC(=O)C1=C(CSc2nc(N)cc(N)n2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C1=C(CSc2nc(N)cc(N)n2)N(C(=O)N[C@@H]1[*:1])C1CC1
COC(=O)C1=C(CSc2nc(N)cc(N)n2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 COC(=O)[*:1] Nc1cc(N)nc(n1)SCC1=C([C@@H](NC(=O)N1C1CC1)c1ccccc1)[*:1]
COC(=O)C1=C(CSc2nc(N)cc(N)n2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 C1CC1[*:1] COC(=O)C1=C(CSc2nc(N)cc(N)n2)N(C(=O)N[C@H]1c1ccccc1)[*:1]
COC(=O)C1=C(CSc2nc(N)cc(N)n2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 Nc1cc(N)nc(n1)SC[*:1] COC(=O)C1=C(N(C(=O)N[C@H]1c1ccccc1)C1CC1)[*:1]
COC(=O)C1=C(CSc2nc(N)cc(N)n2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 Nc1cc(N)nc(n1)[*:1] COC(=O)C1=C(CS[*:1])N(C(=O)N[C@H]1c1ccccc1)C1CC1
CC(C)(C)Oc1ccc(C(=O)NC[C@](C)(O)c2cccs2)cc1 c1csc(c1)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)NC[C@](C)(O)[*:1]
CC(C)(C)Oc1ccc(C(=O)NC[C@](C)(O)c2cccs2)cc1 CC(C)(C)O[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)[*:1])c1cccs1
CC(C)(C)Oc1ccc(C(=O)NC[C@](C)(O)c2cccs2)cc1 CC(C)(C)[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)O[*:1])c1cccs1
COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1 COC(=O)[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)Nc1cccc(Br)c1
COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] COC(=O)c1ccc(cc1)O[C@@H](C)C(=O)N[*:1]
C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc(o1)[*:1]
C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc([N+](=O)[O-])o1 c1ccc(cc1)[*:1] C[C@H]1CO[C@@H]([C@H](C)N1Cc1ccc(o1)[N+](=O)[O-])[*:1]
Cc1nn(CCC(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c(C)c1C Cc1nn(c(C)c1C)[*:1] CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)CC[*:1]
CCc1nn(C)cc1C(=O)N1CC[C@H](C)C[C@@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] CCc1nn(C)cc1C(=O)N1CC[C@H](C)C[C@H]1[*:1]
CC(C)[C@H](NC(=O)c1ccc(C#N)cn1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](NC(=O)c1ccc(C#N)cn1)[*:1]
CC(C)[C@H](NC(=O)c1ccc(C#N)cn1)C(=O)N1CCCC1 CC(C)[*:1] N#Cc1ccc(nc1)C(=O)N[C@H](C(=O)N1CCCC1)[*:1]
C=C(NC1=c2cc(Br)ccc2=[NH+][C@@H]1C(=O)OCC)[NH+](C)C CCOC(=O)[*:1] C=C(NC1=c2cc(Br)ccc2=[NH+][C@H]1[*:1])[NH+](C)C
O=C1C[C@H](c2noc(C3CCC3)n2)CN1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](CN1[*:1])c1noc(n1)C1CCC1
O=C1C[C@H](c2noc(C3CCC3)n2)CN1c1ccc(F)cc1 C1CC(C1)[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1noc(n1)[*:1]
Cc1nccn1Cc1cccc(CNC(=O)N2CCOCC2)c1 Cc1nccn1[*:1] O=C(NCc1cccc(c1)C[*:1])N1CCOCC1
Cc1nccn1Cc1cccc(CNC(=O)N2CCOCC2)c1 Cc1nccn1C[*:1] O=C(NCc1cccc(c1)[*:1])N1CCOCC1
COc1ccccc1[C@@H](C)CNC(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] COc1ccccc1[C@@H](C)CNC(=O)Nc1cc(ccc1C)[*:1]
COc1ccccc1[C@@H](C)CNC(=O)Nc1cc(-c2ncco2)ccc1C COc1ccccc1[*:1] Cc1ccc(cc1NC(=O)NC[C@H](C)[*:1])-c1ncco1
C[C@H](CCc1cccc(F)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 Fc1cccc(c1)[*:1] C[C@H](CC[*:1])C(=O)N1CC[C@@H](C1)[NH+]1CCCC1
CC(C)[C@@](C)(O)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 CC(C)[C@@](C)(O)C[*:1] O=S(=O)(N[*:1])c1c[nH]c2nccc(Cl)c12
CC(C)[C@@](C)(O)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 CC(C)[*:1] C[C@@](O)(CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
C[C@H](CC(=O)NC1(C(N)=O)CCCC1)C1CCCCC1 NC(=O)[*:1] C[C@H](CC(=O)NC1(CCCC1)[*:1])C1CCCCC1
C[C@H](CC(=O)NC1(C(N)=O)CCCC1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](CC(=O)NC1(CCCC1)C(N)=O)[*:1]
COc1ccc([C@H]([NH3+])c2n[nH]c(-c3cccnc3)n2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)[C@H]([NH3+])c1n[nH]c(n1)[*:1]
Cc1ccc(Nc2nc(C(=O)[O-])cs2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)Nc1nc(cs1)[*:1]
CCC(CC)n1nc(C)cc1C(=O)N(C)c1cccnc1N(C)C CCC(CC)[*:1] Cc1cc(C(=O)N(C)c2cccnc2N(C)C)n(n1)[*:1]
CCC(CC)n1nc(C)cc1C(=O)N(C)c1cccnc1N(C)C CN(C)[*:1] CCC(CC)n1nc(C)cc1C(=O)N(C)c1cccnc1[*:1]
CC(=O)c1cc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)n(C)c1 Clc1ccccc1[*:1] CC(=O)c1cc(C(=O)Nc2nn(cc2C)[*:1])n(C)c1
CC(=O)c1cc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)n(C)c1 CC(=O)[*:1] Cc1cn(nc1NC(=O)c1cc(cn1C)[*:1])-c1ccccc1Cl
CCC[NH2+][C@@H]1CC[C@@H](N2C[C@H](C)OC[C@@H]2CC)C1 CCC[*:1] CC[C@H]1CO[C@@H](C)CN1[C@@H]1CC[C@H](C1)[NH2+][*:1]
COC(=O)[C@]1(NC(=O)c2coc(-c3csc(C)n3)c2)CCOC1 Cc1nc(cs1)[*:1] COC(=O)[C@@]1(CCOC1)NC(=O)c1coc(c1)[*:1]
COC(=O)[C@]1(NC(=O)c2coc(-c3csc(C)n3)c2)CCOC1 COC(=O)[*:1] Cc1nc(cs1)-c1cc(co1)C(=O)N[C@@]1(CCOC1)[*:1]
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@H](c2ccccc2F)C1)c1ccccc1 CC(C)(C)[*:1] O=C(N[C@H](C(=O)N1CCO[C@@H](C1)c1ccccc1F)c1ccccc1)O[*:1]
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@H](c2ccccc2F)C1)c1ccccc1 Fc1ccccc1[*:1] CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@H](C1)[*:1])c1ccccc1
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@H](c2ccccc2F)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@@H](C1)c1ccccc1F)[*:1]
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCO[C@H](c2ccccc2F)C1)c1ccccc1 CC(C)(C)OC(=O)N[*:1] O=C([C@H](c1ccccc1)[*:1])N1CCO[C@@H](C1)c1ccccc1F
Cc1c(NC2=CC(=O)CC(C)(C)C2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC2=CC(=O)CC(C)(C)C2)c(=O)n(n1C)[*:1]
Oc1cc(F)cc(-c2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] Oc1cc(F)cc(c1)-c1ccc(cc1)[*:1]
CCCCCn1c(CCl)nc2c(C)ccnc21 CCC[*:1] Cc1ccnc2c1nc(CCl)n2CC[*:1]
CCCCCn1c(CCl)nc2c(C)ccnc21 CCCCC[*:1] Cc1ccnc2c1nc(CCl)n2[*:1]
CCCCCn1c(CCl)nc2c(C)ccnc21 CCCC[*:1] Cc1ccnc2c1nc(CCl)n2C[*:1]
COCCN(Cc1ccncc1)C(=O)c1ccccc1C(F)(F)F COC[*:1] O=C(c1ccccc1C(F)(F)F)N(Cc1ccncc1)C[*:1]
COCCN(Cc1ccncc1)C(=O)c1ccccc1C(F)(F)F c1cc(ccn1)[*:1] COCCN(C[*:1])C(=O)c1ccccc1C(F)(F)F
COCCN(Cc1ccncc1)C(=O)c1ccccc1C(F)(F)F COCC[*:1] O=C(c1ccccc1C(F)(F)F)N(Cc1ccncc1)[*:1]
COCCN(Cc1ccncc1)C(=O)c1ccccc1C(F)(F)F c1cc(ccn1)C[*:1] COCCN(C(=O)c1ccccc1C(F)(F)F)[*:1]
COCCN(Cc1ccncc1)C(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] COCCN(Cc1ccncc1)C(=O)c1ccccc1[*:1]
O=C(/N=C1/N=[NH+][C@@H](c2ccc3c(c2)OCO3)S1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(/N=C1/N=[NH+][C@H](S1)c1ccc2OCOc2c1)[*:1]
C/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2OCC)c(OC)c1 CCO[*:1] C/C=C/c1ccc(OC(=O)[C@@H]2C[C@@H]2[*:1])c(c1)OC
C/C=C/c1ccc(OC(=O)[C@@H]2C[C@H]2OCC)c(OC)c1 CC=C[*:1] CCO[C@@H]1C[C@H]1C(=O)Oc1ccc(cc1OC)[*:1]
O=C([O-])[C@H]1SC=C[C@@H]1S(=O)(=O)NCCC1=c2ccccc2=[NH+]C1 O=C([O-])[*:1] O=S(=O)(NCCC1C[NH+]=c2ccccc2=1)[C@H]1C=CS[C@@H]1[*:1]
O=C(NCc1ccco1)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 c1coc(c1)C[*:1] O=C(N[*:1])c1ccc2c(=O)n(cnc2c1)-c1ccccc1F
O=C(NCc1ccco1)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 c1coc(c1)[*:1] O=C(NC[*:1])c1ccc2c(=O)n(cnc2c1)-c1ccccc1F
O=C(NCc1ccco1)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 Fc1ccccc1[*:1] O=C(NCc1ccco1)c1ccc2c(=O)n(cnc2c1)[*:1]
O=C(NCc1ccco1)c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 O=C(NCc1ccco1)[*:1] O=c1c2ccc(cc2ncn1-c1ccccc1F)[*:1]
Cc1c(C(=O)N2CCc3sc(C(=O)NC(C)C)cc3C2)nc2cccc(Cl)n12 CC(C)NC(=O)[*:1] Cc1c(nc2cccc(Cl)n12)C(=O)N1CCc2sc(cc2C1)[*:1]
Cc1c(C(=O)N2CCc3sc(C(=O)NC(C)C)cc3C2)nc2cccc(Cl)n12 CC(C)[*:1] Cc1c(nc2cccc(Cl)n12)C(=O)N1CCc2sc(cc2C1)C(=O)N[*:1]
COC(=O)C(C)(C)C[NH+](C)Cc1cccc(N)c1 COC(=O)[*:1] C[NH+](Cc1cccc(N)c1)CC(C)(C)[*:1]
CN(C)[C@@H](C(=O)NCCNC(N)=O)c1c(F)cccc1F NC(=O)N[*:1] CN(C)[C@@H](C(=O)NCC[*:1])c1c(F)cccc1F
CN(C)[C@@H](C(=O)NCCNC(N)=O)c1c(F)cccc1F NC(=O)NCC[*:1] CN(C)[C@@H](C(=O)N[*:1])c1c(F)cccc1F
CN(C)[C@@H](C(=O)NCCNC(N)=O)c1c(F)cccc1F CN(C)[*:1] NC(=O)NCCNC(=O)[C@@H](c1c(F)cccc1F)[*:1]
CN(C)[C@@H](C(=O)NCCNC(N)=O)c1c(F)cccc1F NC(=O)NC[*:1] CN(C)[C@@H](C(=O)NC[*:1])c1c(F)cccc1F
CCOc1ccccc1-c1nc(-c2nnn(Cc3ccccc3)c2C)no1 c1ccc(cc1)C[*:1] CCOc1ccccc1-c1nc(no1)-c1nnn(c1C)[*:1]
CCOc1ccccc1-c1nc(-c2nnn(Cc3ccccc3)c2C)no1 CCOc1ccccc1[*:1] Cc1c(nnn1Cc1ccccc1)-c1noc(n1)[*:1]
CCOc1ccccc1-c1nc(-c2nnn(Cc3ccccc3)c2C)no1 c1ccc(cc1)[*:1] CCOc1ccccc1-c1nc(no1)-c1nnn(C[*:1])c1C
CCOc1ccccc1-c1nc(-c2nnn(Cc3ccccc3)c2C)no1 CCO[*:1] Cc1c(nnn1Cc1ccccc1)-c1noc(n1)-c1ccccc1[*:1]
CS(=O)(=O)c1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc(cc1[*:1])C(=O)OCN1C(=O)c2ccccc2C1=O
CS(=O)(=O)c1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] CS(=O)(=O)[*:1] O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 CCNC(=O)[*:1] CN(C)S(=O)(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1C Cc1ccc(cc1C)[*:1] O=S(=O)(Nc1cccc(c1)-c1nnc2CCCCCn21)[*:1]
COCc1nc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cs1 COC[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)c1csc(n1)[*:1]
COCc1nc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cs1 COCc1nc(cs1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
C[C@H]1CN(c2ccc(C(=O)NCc3ccco3)cn2)C[C@H](C)O1 c1coc(c1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(cn1)C(=O)NC[*:1]
C[C@H]1CN(c2ccc(C(=O)NCc3ccco3)cn2)C[C@H](C)O1 c1coc(c1)C[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(cn1)C(=O)N[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)c1 O=C1CCCC[C@@H]1[*:1] CC(C)NC(=O)Nc1cccc(c1)C(=O)N1CCCCC[C@@H]1[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)c1 CC(C)NC(=O)N[*:1] O=C1CCCC[C@@H]1[C@@H]1CCCCCN1C(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)c1 CC(C)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCCCC[C@H]1[C@H]1CCCCC1=O)N[*:1]
CCOc1ccc(NC(=O)C(=O)Nc2cn[nH]c2)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)C(=O)Nc1cn[nH]c1
CCOc1ccc(NC(=O)C(=O)Nc2cn[nH]c2)cc1C c1n[nH]cc1[*:1] CCOc1ccc(cc1C)NC(=O)C(=O)N[*:1]
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] C/C(CCc1ccccc1)=N\NC(=O)c1ccc(cc1)C[*:1]
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] C/C(CCc1ccccc1)=N\NC(=O)c1ccc(cc1)[*:1]
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN2CCOCC2)cc1 c1ccc(cc1)C[*:1] C/C(C[*:1])=N\NC(=O)c1ccc(cc1)CN1CCOCC1
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN2CCOCC2)cc1 c1ccc(cc1)CC[*:1] CC(=NNC(=O)c1ccc(cc1)CN1CCOCC1)[*:1]
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN2CCOCC2)cc1 c1ccc(cc1)[*:1] C/C(CC[*:1])=N\NC(=O)c1ccc(cc1)CN1CCOCC1
CC(C)(O)CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 CC(C)(O)C[*:1] O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)N[*:1]
CC(C)(O)CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 CC(C)(O)[*:1] O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NC[*:1]
CC(C)(O)CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 CC(C)(O)CNC(=O)[*:1] O=C(NCC[*:1])NC12CC3CC(CC(C3)C1)C2
CC(C)(C)[C@@H]1CCCC[C@@]1(O)Cc1ccc(O)cc1 CC(C)(C)[*:1] Oc1ccc(cc1)C[C@]1(O)CCCC[C@H]1[*:1]
COC(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H](O)C2)c(F)c1 COC(=O)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1ccc(cc1F)[*:1]
Cc1ccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(-c5ccccc5)c43)c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(-c2ccccc2)c2c(n1)sc1c(=O)n(cnc12)CC(=O)N[*:1]
Cc1ccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(-c5ccccc5)c43)c2=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1cc(-c2ccccc2)c2c(n1)sc1c(=O)n(cnc12)C[*:1]
Cc1ccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(-c5ccccc5)c43)c2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)Cn1cnc2c(sc3nc(C)cc(c32)[*:1])c1=O
CC(C)(C)S(=O)(=O)c1ccc2n[nH]c(=O)n2n1 CC(C)(C)[*:1] O=c1[nH]nc2ccc(nn12)S(=O)(=O)[*:1]
CCc1nc(CC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cs1 CCc1nc(cs1)C[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)[*:1])c1=O
CCc1nc(CC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cs1 Cn1cnn(c1=O)[*:1] CCc1nc(cs1)CC(=O)Nc1ccc(cc1)[*:1]
CCc1nc(CC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cs1 CCc1nc(cs1)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)C[*:1])c1=O
CCc1cc2c(N3CCC[C@H]3c3noc(C)n3)ncnc2s1 Cc1nc(no1)[*:1] CCc1cc2c(ncnc2s1)N1CCC[C@@H]1[*:1]
c1ccc(SCCN2C[C@H](C3CC3)[NH2+]C[C@@H]2C2CC2)cc1 c1ccc(cc1)S[*:1] C1CC1[C@H]1CN(CC[*:1])[C@H](C[NH2+]1)C1CC1
c1ccc(SCCN2C[C@H](C3CC3)[NH2+]C[C@@H]2C2CC2)cc1 C1CC1[*:1] c1ccc(cc1)SCCN1C[C@@H]([NH2+]C[C@H]1[*:1])C1CC1
c1ccc(SCCN2C[C@H](C3CC3)[NH2+]C[C@@H]2C2CC2)cc1 c1ccc(cc1)[*:1] C(CN1C[C@@H]([NH2+]C[C@@H]1C1CC1)C1CC1)S[*:1]
c1ccc(SCCN2C[C@H](C3CC3)[NH2+]C[C@@H]2C2CC2)cc1 C1CC1[*:1] c1ccc(cc1)SCCN1C[C@H]([NH2+]C[C@@H]1C1CC1)[*:1]
N#Cc1ccccc1CSCc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] N#Cc1ccccc1CSCc1nnnn1[*:1]
CC1(C)CCC(C[NH3+])([C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 FC(F)(F)[*:1] CC1(C)CCC(C[NH3+])(CC1)[C@]1(O)CCC[C@@H](C1)[*:1]
c1csc(-c2csc(C[NH2+]C[C@@H]3CCc4nncn4C3)c2)c1 c1csc(c1)[*:1] c1sc(cc1[*:1])C[NH2+]C[C@@H]1CCc2nncn2C1
CCc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCOc2ccccc21 CCc1nn(C)cc1[*:1] O=C(N[C@@H]1CCOc2ccccc21)C(=O)N[*:1]
COc1cc(C(=O)NCCc2ccccc2Cl)ccc1OC1CC[NH+](C)CC1 Clc1ccccc1[*:1] COc1cc(ccc1OC1CC[NH+](C)CC1)C(=O)NCC[*:1]
COc1cc(C(=O)NCCc2ccccc2Cl)ccc1OC1CC[NH+](C)CC1 Clc1ccccc1C[*:1] COc1cc(ccc1OC1CC[NH+](C)CC1)C(=O)NC[*:1]
COc1cc(C(=O)NCCc2ccccc2Cl)ccc1OC1CC[NH+](C)CC1 Clc1ccccc1CC[*:1] COc1cc(ccc1OC1CC[NH+](C)CC1)C(=O)N[*:1]
CS(=O)(=O)N1CCC[C@H](COc2ccc(CC#N)cc2)C1 N#CC[*:1] CS(=O)(=O)N1CCC[C@H](COc2ccc(cc2)[*:1])C1
CCCCCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 CCC[*:1] Cc1cccc(n1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(c1)OCC[*:1]
CCCCCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 Cc1cccc(n1)[*:1] CCCCCOc1cccc(c1)[C@@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
CCCCCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 CCCC[*:1] Cc1cccc(n1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(c1)OC[*:1]
CCCCCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 CCCCC[*:1] Cc1cccc(n1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(c1)O[*:1]
CCCCCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 CCCCCO[*:1] Cc1cccc(n1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(c1)[*:1]
O=C(Cc1cccnc1)N1CC[C@@H](Nc2ncnc3c2CCC3)C1 c1cncc(c1)C[*:1] O=C(N1CC[C@H](C1)Nc1ncnc2CCCc21)[*:1]
O=C(Cc1cccnc1)N1CC[C@@H](Nc2ncnc3c2CCC3)C1 c1cncc(c1)[*:1] O=C(C[*:1])N1CC[C@H](C1)Nc1ncnc2CCCc21
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCCc2c1cnn2C Cn1cc(cn1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)N[C@@H]1CCCc2c1cnn2C
CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12 CC(C)C[*:1] CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc2n(C[*:1])c(=O)c3ccccc3n12
CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12 CC(C)CC[*:1] CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc2n(c(=O)c3ccccc3n12)[*:1]
CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12 CC(C)[*:1] CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc2n(CC[*:1])c(=O)c3ccccc3n12
CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12 CC[C@@H]1CCCCN1C(=O)[*:1] CC(C)CCn1c(=O)c2ccccc2n2c(nnc12)S[C@@H](C)[*:1]
CCCCOc1cc([C@H]2NC(=O)[C@@H]3COCCN32)ccc1OC CCCCO[*:1] COc1ccc(cc1[*:1])[C@H]1NC(=O)[C@@H]2COCCN21
CCCCOc1cc([C@H]2NC(=O)[C@@H]3COCCN32)ccc1OC CCC[*:1] COc1ccc(cc1OC[*:1])[C@H]1NC(=O)[C@@H]2COCCN21
CCCCOc1cc([C@H]2NC(=O)[C@@H]3COCCN32)ccc1OC CCCC[*:1] COc1ccc(cc1O[*:1])[C@H]1NC(=O)[C@@H]2COCCN21
O=C(Nc1ccccc1N1CCCC1)c1cc(F)ccc1F C1CCN(C1)[*:1] O=C(Nc1ccccc1[*:1])c1cc(F)ccc1F
C[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)[*:1]
O=C1NCCN1C1CC[NH+](Cc2cccc3cccnc23)CC1 O=C1NCCN1[*:1] c1cnc2c(cccc2c1)C[NH+]1CCC(CC1)[*:1]
O=C(OCCn1c(=O)oc2ccccc21)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] O=C(OCCn1c(=O)oc2ccccc21)c1ccc(cc1)[*:1]
Cc1nnc(NC(=O)c2ccc(C)c(-n3cccc3)c2)s1 c1ccn(c1)[*:1] Cc1nnc(NC(=O)c2ccc(C)c(c2)[*:1])s1
Cc1nnc(NC(=O)c2ccc(C)c(-n3cccc3)c2)s1 Cc1nnc(s1)[*:1] Cc1ccc(cc1-n1cccc1)C(=O)N[*:1]
Cc1nonc1NC(=O)Cn1c(C2CCCCC2)nc2ccccc21 Cc1nonc1[*:1] O=C(Cn1c(nc2ccccc21)C1CCCCC1)N[*:1]
Cc1nonc1NC(=O)Cn1c(C2CCCCC2)nc2ccccc21 C1CCC(CC1)[*:1] Cc1nonc1NC(=O)Cn1c(nc2ccccc21)[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(Cc2cc(C)n[nH]c2=O)cc1 Cc1cc(C[*:1])c(=O)[nH]n1 COc1ccccc1NS(=O)(=O)c1ccc(cc1)[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(Cc2cc(C)n[nH]c2=O)cc1 COc1ccccc1[*:1] Cc1cc(Cc2ccc(cc2)S(=O)(=O)N[*:1])c(=O)[nH]n1
COc1ccccc1NS(=O)(=O)c1ccc(Cc2cc(C)n[nH]c2=O)cc1 Cc1cc(c(=O)[nH]n1)[*:1] COc1ccccc1NS(=O)(=O)c1ccc(cc1)C[*:1]
CC(C)CN1CCO[C@H](CNC(=O)/C(C#N)=C/c2ccco2)C1 CC(C)[*:1] N#C/C(=C\c1ccco1)C(=O)NC[C@@H]1CN(CCO1)C[*:1]
CC(C)CN1CCO[C@H](CNC(=O)/C(C#N)=C/c2ccco2)C1 CC(C)C[*:1] N#C/C(=C\c1ccco1)C(=O)NC[C@@H]1CN(CCO1)[*:1]
CC(C)CN1CCO[C@H](CNC(=O)/C(C#N)=C/c2ccco2)C1 c1coc(c1)[*:1] CC(C)CN1CCO[C@H](CNC(=O)C(C#N)=C[*:1])C1
C[C@@H](O)[C@H](C)C[C@H]1COc2ccccc21 C[C@@H](O)[C@H](C)[*:1] c1ccc2c(c1)OC[C@@H]2C[*:1]
C[C@@H](O)[C@H](C)C[C@H]1COc2ccccc21 C[C@@H](O)[*:1] C[C@H](C[C@H]1COc2ccccc21)[*:1]
CN(CC(C)(C)O)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CN(CC(C)(C)O)C(=O)NC[C@@H](C(=O)[O-])[*:1]
CN(CC(C)(C)O)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 CC(C)(O)[*:1] CN(C[*:1])C(=O)NC[C@@H](C(=O)[O-])c1ccccc1
CN(CC(C)(C)O)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 CC(C)(O)C[*:1] CN(C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)[*:1]
CN(CC(C)(C)O)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CN(CC(C)(C)O)C(=O)NC[C@@H](c1ccccc1)[*:1]
COc1cc(NC(=O)NNc2ccc(F)cc2)c(OC)cc1Cl Fc1ccc(cc1)[*:1] COc1cc(NC(=O)NN[*:1])c(cc1Cl)OC
Cc1ccc(-c2cc(C(=O)NCCc3nc4ccccc4s3)no2)cc1C c1ccc2sc(nc2c1)[*:1] Cc1ccc(cc1C)-c1cc(no1)C(=O)NCC[*:1]
Cc1ccc(-c2cc(C(=O)NCCc3nc4ccccc4s3)no2)cc1C Cc1ccc(cc1C)[*:1] O=C(NCCc1nc2ccccc2s1)c1cc(on1)[*:1]
CC(C)c1nc(CNC(=O)c2ccc(-c3ccc(CO)cc3)nc2)no1 CC(C)[*:1] O=C(NCc1noc(n1)[*:1])c1ccc(nc1)-c1ccc(cc1)CO
CC(C)c1nc(CNC(=O)c2ccc(-c3ccc(CO)cc3)nc2)no1 CC(C)c1nc(no1)[*:1] O=C(NC[*:1])c1ccc(nc1)-c1ccc(cc1)CO
CC(C)c1nc(CNC(=O)c2ccc(-c3ccc(CO)cc3)nc2)no1 OCc1ccc(cc1)[*:1] CC(C)c1nc(CNC(=O)c2ccc(nc2)[*:1])no1
CS(=O)(=O)NCCC/[NH+]=C/c1c(O)ccc2ccccc12 CS(=O)(=O)N[*:1] Oc1ccc2ccccc2c1/C=[NH+]/CCC[*:1]
CS(=O)(=O)NCCC/[NH+]=C/c1c(O)ccc2ccccc12 CS(=O)(=O)NC[*:1] Oc1ccc2ccccc2c1/C=[NH+]/CC[*:1]
CS(=O)(=O)NCCC/[NH+]=C/c1c(O)ccc2ccccc12 CS(=O)(=O)NCC[*:1] Oc1ccc2ccccc2c1/C=[NH+]/C[*:1]
Cc1csc(-c2ccc(C(=O)O[C@@H](C)[C@@H]3CCCO3)cc2)n1 Cc1csc(n1)[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])[C@@H]1CCCO1
CCOC(=O)c1ccc(N2C(=O)[C@@H]3CC4=c5ccccc5=[NH+][C@H]4[C@@H](c4cccc(OC)c4)N3C2=O)cc1 CCOC(=O)[*:1] COc1cccc(c1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C(=O)N21)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(N2C(=O)[C@@H]3CC4=c5ccccc5=[NH+][C@H]4[C@@H](c4cccc(OC)c4)N3C2=O)cc1 CCOC(=O)c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(C(=O)N21)[*:1]
CCOC(=O)c1ccc(N2C(=O)[C@@H]3CC4=c5ccccc5=[NH+][C@H]4[C@@H](c4cccc(OC)c4)N3C2=O)cc1 COc1cccc(c1)[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](N2C1=O)[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 CCc1nn(C)cc1[*:1] O=C(NC[*:1])N1CCC(CC1)OC[C@H]1CCCCO1
CCc1nn(C)cc1CNC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 C1CC[C@H](C[*:1])OC1 CCc1nn(C)cc1CNC(=O)N1CCC(CC1)O[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 C1CC[C@H](CO[*:1])OC1 CCc1nn(C)cc1CNC(=O)N1CCC(CC1)[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 C1CC[C@@H](OC1)[*:1] CCc1nn(C)cc1CNC(=O)N1CCC(CC1)OC[*:1]
CCC[C@@H](NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1)C(=O)OC CCC[C@@H](C(=O)OC)[*:1] Cc1nc(nn1-c1ccc(Cl)cc1)C(=O)N[*:1]
CCC[C@@H](NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1)C(=O)OC Clc1ccc(cc1)[*:1] CCC[C@@H](NC(=O)c1nc(C)n(n1)[*:1])C(=O)OC
CCC[C@@H](NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)c1nc(C)n(n1)-c1ccc(Cl)cc1)[*:1]
CCC[C@@H](NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)c1nc(C)n(n1)-c1ccc(Cl)cc1)[*:1]
O=C(NCCc1ccccc1)c1ccn(-c2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1ccn(n1)-c1ccccc1
O=C(NCCc1ccccc1)c1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCCc1ccccc1)c1ccn(n1)[*:1]
O=C(NCCc1ccccc1)c1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1ccn(n1)-c1ccccc1
C[NH+](C)CCN1CCCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] C[NH+](C)CCN1CCCN(CC1)[*:1]
COc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2)ccc1F c1ccc(cc1)[*:1] COc1cc(ccc1F)[C@@H](C)[NH2+][C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2c(C)nn(C)c2Cl)C1 CCC[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2c(C)nn(C)c2Cl)C1 Cc1nn(C)c(Cl)c1[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)C=C[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2c(C)nn(C)c2Cl)C1 CCC[C@@H](C)[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2c(C)nn(C)c2Cl)C1 CCC[C@@H](C)NC(=O)[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC[C@H](C1)[*:1]
CC(C)c1csc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)n1 CC(C)c1csc(n1)[*:1] O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[*:1]
CC(C)c1csc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)n1 CC(C)[*:1] O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1nc(cs1)[*:1]
FC(F)(F)c1ccc2c(c1)nnn2C1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] FC(F)(F)c1ccc2c(c1)nnn2C1CC[NH+](CC1)[*:1]
FC(F)(F)c1ccc2c(c1)nnn2C1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] FC(F)(F)c1ccc2c(c1)nnn2C1CC[NH+](CC1)C[*:1]
FC(F)(F)c1ccc2c(c1)nnn2C1CC[NH+](Cc2ccccc2)CC1 FC(F)(F)[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)n1nnc2cc(ccc21)[*:1]
CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]C3CCCC3)C2=O)cc1 CC(=O)N[*:1] O=C1C[C@H]([NH2+]C2CCCC2)C(=O)N1c1ccc(cc1)[*:1]
Fc1ccc2c(c1)CCC[C@@H]2Nc1ncnc2c1cnn2-c1ccncc1 c1cc(ccn1)[*:1] Fc1ccc2c(c1)CCC[C@@H]2Nc1ncnc2c1cnn2[*:1]
NC(=O)[C@@H]1CN(C(=O)CSc2ccc(Br)cc2)c2ccccc2O1 Brc1ccc(cc1)S[*:1] NC(=O)[C@@H]1CN(C(=O)C[*:1])c2ccccc2O1
NC(=O)[C@@H]1CN(C(=O)CSc2ccc(Br)cc2)c2ccccc2O1 Brc1ccc(cc1)[*:1] NC(=O)[C@@H]1CN(C(=O)CS[*:1])c2ccccc2O1
NC(=O)[C@@H]1CN(C(=O)CSc2ccc(Br)cc2)c2ccccc2O1 NC(=O)[*:1] O=C(CSc1ccc(Br)cc1)N1C[C@H](Oc2ccccc21)[*:1]
Cc1occc1CN(C)C(=O)CC[C@@H](C)O C[C@@H](O)CC[*:1] Cc1occc1CN(C)C(=O)[*:1]
Cc1occc1CN(C)C(=O)CC[C@@H](C)O C[C@@H](O)C[*:1] Cc1occc1CN(C)C(=O)C[*:1]
Cc1occc1CN(C)C(=O)CC[C@@H](C)O C[C@@H](O)[*:1] Cc1occc1CN(C)C(=O)CC[*:1]
COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1F O=[N+]([O-])[*:1] COc1cc(ccc1F)[C@H](C)[NH2+][C@H](C)c1ccc(C)c(c1)[*:1]
O=C(CCN1CCCC1=O)OCc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCN1CCCC1=O)OCc1ccc(cc1)[*:1]
O=C(CCN1CCCC1=O)OCc1ccc(-c2ccccc2)cc1 O=C1CCCN1CC[*:1] O=C(OCc1ccc(cc1)-c1ccccc1)[*:1]
O=C(CCN1CCCC1=O)OCc1ccc(-c2ccccc2)cc1 O=C1CCCN1[*:1] O=C(CC[*:1])OCc1ccc(cc1)-c1ccccc1
O=C(CCN1CCCC1=O)OCc1ccc(-c2ccccc2)cc1 O=C1CCCN1C[*:1] O=C(C[*:1])OCc1ccc(cc1)-c1ccccc1
CC(C)COC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CC(C)COC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC(C)COC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 CC(C)C[*:1] C[C@H](NC(=O)O[*:1])c1ccc(cc1)-n1ccnc1
CC(C)COC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 CC(C)[*:1] C[C@H](NC(=O)OC[*:1])c1ccc(cc1)-n1ccnc1
C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)NC(N)=O C[C@@H](C(=O)NC(N)=O)[*:1] Nn1c(nnc1-c1ccc(cc1)OC(F)F)S[*:1]
C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)NC(N)=O FC(F)[*:1] C[C@@H](Sc1nnc(-c2ccc(cc2)O[*:1])n1N)C(=O)NC(N)=O
C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@@H](Sc1nnc(-c2ccc(cc2)OC(F)F)n1N)[*:1]
C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)NC(N)=O FC(F)O[*:1] C[C@@H](Sc1nnc(-c2ccc(cc2)[*:1])n1N)C(=O)NC(N)=O
CCN[C@H](C)c1cc[nH+]c(N2C[C@H](C)OC[C@@H]2C)c1 CCN[*:1] C[C@H]1CN(c2cc(cc[nH+]2)[C@@H](C)[*:1])[C@@H](C)CO1
CCN[C@H](C)c1cc[nH+]c(N2C[C@H](C)OC[C@@H]2C)c1 CCN[C@H](C)[*:1] C[C@H]1CN(c2cc(cc[nH+]2)[*:1])[C@@H](C)CO1
CSC[C@@H](C)N(C)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl CN(C)C(=O)[*:1] CSC[C@@H](C)N(C)C(=O)Nc1cc(ccc1Cl)[*:1]
CSC[C@@H](C)N(C)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl CSC[*:1] C[C@@H](N(C)C(=O)Nc1cc(ccc1Cl)C(=O)N(C)C)[*:1]
Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2cn3cccc(C)c3n2)cc1F Cc1ccc(cc1F)[*:1] Cc1cccn2cc(CS(=O)(=O)[C@@H](C)C(=O)N[*:1])nc12
COc1ccccc1O[C@H](C)C(=O)NC(C)(C)C CC(C)(C)[*:1] COc1ccccc1O[C@H](C)C(=O)N[*:1]
C[C@@H]1C[C@@]1([NH3+])c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H]1C[C@@]1([NH3+])c1cccc(c1)[*:1]
C[C@H]1C[C@@H]1NC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] C[C@H]1C[C@@H]1NC(=O)c1ccccc1SCC(=O)N[*:1]
CNC(=O)[C@@H](CC(C)C)NCc1cc(F)ccc1Br CC(C)C[*:1] CNC(=O)[C@@H](NCc1cc(F)ccc1Br)[*:1]
CNC(=O)[C@@H](CC(C)C)NCc1cc(F)ccc1Br CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NCc1cc(F)ccc1Br
CNC(=O)[C@@H](CC(C)C)NCc1cc(F)ccc1Br CNC(=O)[*:1] CC(C)C[C@@H](NCc1cc(F)ccc1Br)[*:1]
CS[C@@H]1CC[C@@H](NC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)C1 c1cncc(c1)C[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)/C=C/c1ccc(cc1)O[*:1]
CS[C@@H]1CC[C@@H](NC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)C1 c1cncc(c1)[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)/C=C/c1ccc(cc1)OC[*:1]
CS[C@@H]1CC[C@@H](NC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)C1 c1cncc(c1)CO[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)/C=C/c1ccc(cc1)[*:1]
Cc1n[nH]cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C Cc1n[nH]cc1[*:1] CN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)N[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cccc(C)c2C)C1 Cc1cccc(c1C)[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N[C@@H](C)[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cccc(C)c2C)C1 CC[S@](=O)[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)N[C@H]1CCC[C@H](C1)[*:1]
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N1CCO[C@H](c2nccs2)C1 c1csc(n1)[*:1] CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N1CCO[C@H](C1)[*:1]
O=C(OCc1ccccc1Cl)[C@H]1CC(=O)N(Cc2ccccn2)C1 Clc1ccccc1[*:1] O=C(OC[*:1])[C@H]1CC(=O)N(Cc2ccccn2)C1
O=C(OCc1ccccc1Cl)[C@H]1CC(=O)N(Cc2ccccn2)C1 Clc1ccccc1C[*:1] O=C(O[*:1])[C@H]1CC(=O)N(Cc2ccccn2)C1
O=C(OCc1ccccc1Cl)[C@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 O=C(OCc1ccccc1Cl)[C@H]1CC(=O)N(C1)[*:1]
O=C(OCc1ccccc1Cl)[C@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(OCc1ccccc1Cl)[C@H]1CC(=O)N(C1)C[*:1]
Cc1nc([C@H](NS(=O)(=O)c2cc(C)c(C)s2)C(C)C)n[nH]1 CC(C)[*:1] Cc1nc(n[nH]1)[C@H](NS(=O)(=O)c1cc(C)c(C)s1)[*:1]
Cc1nc([C@H](NS(=O)(=O)c2cc(C)c(C)s2)C(C)C)n[nH]1 Cc1nc(n[nH]1)[*:1] Cc1cc(sc1C)S(=O)(=O)N[C@H](C(C)C)[*:1]
Cc1nc([C@H](NS(=O)(=O)c2cc(C)c(C)s2)C(C)C)n[nH]1 Cc1cc(sc1C)[*:1] Cc1nc(n[nH]1)[C@H](NS(=O)(=O)[*:1])C(C)C
COc1ccc(F)cc1NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] COc1ccc(F)cc1NC(=O)N[C@@H](C)c1cccc(c1)[*:1]
CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 Cc1ccc(c(C)c1)[*:1] CCC(=O)c1ccc(cc1)OCC(=O)Nc1nc(cs1)[*:1]
CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 CCC(=O)[*:1] Cc1ccc(-c2csc(n2)NC(=O)COc2ccc(cc2)[*:1])c(C)c1
CC(C)(Br)C1OCc2ccccc2CO1 CC(C)(Br)[*:1] c1ccc2COC(OCc2c1)[*:1]
COc1ccc(/C=C2\N=C(c3ccncc3)OC2=O)cc1 c1cc(ccn1)[*:1] COc1ccc(/C=C2\N=C(OC2=O)[*:1])cc1
O=C(NC[C@H]1CCCO1)C(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] O=C(NC[C@H]1CCCO1)C(=O)Nc1cccn(c1=O)[*:1]
O=C(NC[C@H]1CCCO1)C(=O)Nc1cccn(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)C(=O)Nc1cccn(C[*:1])c1=O
CC[C@@H](NC(=O)[C@@H](C)n1cc(Cl)cn1)c1ccc(OC)cc1 Clc1cnn(c1)[*:1] CC[C@@H](NC(=O)[C@@H](C)[*:1])c1ccc(cc1)OC
CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])C12CCCCC2 CC[C@H](C)[*:1] O=C([O-])[C@@H]1c2ccccc2C(=O)N(C12CCCCC2)[*:1]
CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])C12CCCCC2 O=C([O-])[*:1] CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C12CCCCC2)[*:1]
COC[C@@H](C)NC(=O)COc1cccnc1Cl COC[C@@H](C)[*:1] O=C(COc1cccnc1Cl)N[*:1]
COC[C@@H](C)NC(=O)COc1cccnc1Cl COC[*:1] C[C@@H](NC(=O)COc1cccnc1Cl)[*:1]
COc1ccc([C@H]2CC(c3cccs3)=NN2CN2C(=O)C(=O)c3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C1C(=O)N(CN2N=C(C[C@@H]2[*:1])c2cccs2)c2ccccc21
COc1ccc([C@H]2CC(c3cccs3)=NN2CN2C(=O)C(=O)c3ccccc32)cc1 c1csc(c1)[*:1] COc1ccc(cc1)[C@H]1CC(=NN1CN1C(=O)C(=O)c2ccccc21)[*:1]
Cc1ccc(-c2ncc(CN3CCS(=O)(=O)C(C)(C)C3)s2)cc1 Cc1ccc(cc1)[*:1] CC1(C)CN(CCS1(=O)=O)Cc1cnc(s1)[*:1]
CC(C)Oc1ncnc(NCc2ccc3c(c2)OCO3)c1N CC(C)[*:1] Nc1c(ncnc1O[*:1])NCc1ccc2OCOc2c1
CC(C)Oc1ncnc(NCc2ccc3c(c2)OCO3)c1N CC(C)O[*:1] Nc1c(ncnc1[*:1])NCc1ccc2OCOc2c1
COc1cccc(CC(=O)NCc2csc(-c3ccccc3)n2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])NCc1csc(n1)-c1ccccc1
COc1cccc(CC(=O)NCc2csc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)NCc1csc(n1)[*:1]
COCc1cccc(CNC(=O)c2cc(C(N)=O)cn2C)c1 COC[*:1] Cn1cc(cc1C(=O)NCc1cccc(c1)[*:1])C(N)=O
COCc1cccc(CNC(=O)c2cc(C(N)=O)cn2C)c1 NC(=O)[*:1] COCc1cccc(c1)CNC(=O)c1cc(cn1C)[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)CCCC2CCCC2)cc1 C1CCC(C1)C[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)CC[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)CCCC2CCCC2)cc1 C1CCC(C1)[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCC[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)CCCC2CCCC2)cc1 C1CCC(C1)CC[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)C[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)CCCC2CCCC2)cc1 CS(=O)(=O)[*:1] O=S(=O)(CCCC1CCCC1)c1ccc(cc1)[*:1]
CCOC[C@](C)(O)C1(C)CC1 CCO[*:1] CC1(CC1)[C@@](C)(O)C[*:1]
C[C@H](NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)c1ccccc1C(=O)[O-])[*:1]
C[C@H](NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1)c1ccccc1 O=C([O-])[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)c1ccccc1[*:1])c1ccccc1
C[C@H](NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1)c1ccccc1 O=C([O-])c1ccccc1[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)[*:1])c1ccccc1
C[C@H](NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1ccccc1C(=O)[O-]
CCc1ccc(NC(=O)N2CCN(c3cc(-c4ccc(OC)cc4)ncn3)CC2)cc1 COc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)N1CCN(CC1)c1cc(ncn1)[*:1]
CCc1ccc(NC(=O)N2CCN(c3cc(-c4ccc(OC)cc4)ncn3)CC2)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(ncn1)N1CCN(CC1)C(=O)N[*:1]
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)c(Cl)c1 c1cc2OCCOc2cc1[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccc(Cl)c(Cl)c1
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)NCc2ccco2)CC1 c1coc(c1)[*:1] Cc1ccc(Cl)cc1N1CC[NH+](CC1)CC(=O)NC[*:1]
Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)NCc2ccco2)CC1 Cc1ccc(Cl)cc1[*:1] O=C(C[NH+]1CCN(CC1)[*:1])NCc1ccco1
Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)NCc2ccco2)CC1 c1coc(c1)C[*:1] Cc1ccc(Cl)cc1N1CC[NH+](CC1)CC(=O)N[*:1]
O=C([O-])C[C@H]1CN(c2nc(C3CC3)ns2)CCO1 C1CC1[*:1] O=C([O-])C[C@H]1CN(CCO1)c1nc(ns1)[*:1]
O=C([O-])C[C@H]1CN(c2nc(C3CC3)ns2)CCO1 O=C([O-])[*:1] C1CN(C[C@H](C[*:1])O1)c1nc(ns1)C1CC1
O=C([O-])C[C@H]1CN(c2nc(C3CC3)ns2)CCO1 O=C([O-])C[*:1] C1CN(C[C@@H](O1)[*:1])c1nc(ns1)C1CC1
O=S(=O)(NCCc1c[nH]c2ccc(F)cc12)c1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] O=S(=O)(NCCc1c[nH]c2ccc(F)cc12)c1ccc(cc1)[*:1]
O=S(=O)(NCCc1c[nH]c2ccc(F)cc12)c1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] O=S(=O)(NCCc1c[nH]c2ccc(F)cc12)c1ccc(cc1)S(=O)(=O)[*:1]
O=C(CSc1nnnn1-c1ccccc1)NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1nnnn1-c1ccccc1)NC(=O)N[*:1]
O=C(CSc1nnnn1-c1ccccc1)NC(=O)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])NC(=O)NC1CCCCC1
COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)s1 COC[*:1] Cc1nc(C[*:1])sc1[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1
COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCOC3(CCCC3)C2)s1 COCC[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1)[*:1]
C[C@@]1(C(=O)N[C@@H](CO)C(=O)[O-])CCCO1 O=C([O-])[*:1] C[C@]1(CCCO1)C(=O)N[C@@H](CO)[*:1]
CCCn1c(C)nnc1SCc1cccc(C#N)c1 CCC[*:1] Cc1nnc(SCc2cccc(C#N)c2)n1[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)nc1 CC(C)C[*:1] Cc1ccc(nc1)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)nc1 CC(C)CNS(=O)(=O)[*:1] Cc1ccc(nc1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)nc1 Cc1ccc(nc1)[*:1] CC(C)CNS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)nc1 CC(C)[*:1] Cc1ccc(nc1)NC(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
CC(C)c1c(N)nnn1C[C@@H]1CCCN(S(C)(=O)=O)C1 CC(C)[*:1] CS(=O)(=O)N1CCC[C@H](C1)Cn1nnc(N)c1[*:1]
CSc1nc(C)cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 CSc1nc(C)cc(n1)[*:1] O=C(N1CCN(CC1)Cc1ccc2OCOc2c1)[*:1]
CSc1nc(C)cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 c1cc2OCOc2cc1[*:1] CSc1nc(C)cc(n1)C(=O)N1CCN(CC1)C[*:1]
CC(C)(O)CN1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 CC(C)(O)C[*:1] O=C(Cn1ncc(=O)c2ccccc21)N1CCN(CC1)[*:1]
CC(C)(O)CN1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 CC(C)(O)[*:1] O=C(Cn1ncc(=O)c2ccccc21)N1CCN(CC1)C[*:1]
Cc1sc2nc(CN3CCOCC3)nc(N[C@@H](C[NH+](C)C)c3ccccc3)c2c1C c1ccc(cc1)[*:1] Cc1sc2nc(CN3CCOCC3)nc(N[C@@H](C[NH+](C)C)[*:1])c2c1C
Cc1sc2nc(CN3CCOCC3)nc(N[C@@H](C[NH+](C)C)c3ccccc3)c2c1C C1CN(CCO1)C[*:1] Cc1sc2nc(nc(N[C@@H](C[NH+](C)C)c3ccccc3)c2c1C)[*:1]
Cc1sc2nc(CN3CCOCC3)nc(N[C@@H](C[NH+](C)C)c3ccccc3)c2c1C C1CN(CCO1)[*:1] Cc1sc2nc(C[*:1])nc(N[C@@H](C[NH+](C)C)c3ccccc3)c2c1C
[NH3+][C@@]1(C(=O)[O-])CCC[C@H]1CCOC1CCCCCC1 O=C([O-])[*:1] [NH3+][C@]1(CCC[C@H]1CCOC1CCCCCC1)[*:1]
CC(C)n1c(N)nnc1S[C@H](C)[C@@H](C)C(=O)NN C[C@@H](C(=O)NN)[*:1] CC(C)n1c(N)nnc1S[C@H](C)[*:1]
CC(C)n1c(N)nnc1S[C@H](C)[C@@H](C)C(=O)NN CC(C)[*:1] C[C@@H](C(=O)NN)[C@@H](C)Sc1nnc(N)n1[*:1]
CC(C)n1c(N)nnc1S[C@H](C)[C@@H](C)C(=O)NN NNC(=O)[*:1] CC(C)n1c(N)nnc1S[C@H](C)[C@@H](C)[*:1]
CN[C@@H](C)c1cc[nH+]c(N(C)[C@@H](C)c2cccs2)c1 CN[C@@H](C)[*:1] C[C@@H](c1cccs1)N(C)c1cc(cc[nH+]1)[*:1]
CN[C@@H](C)c1cc[nH+]c(N(C)[C@@H](C)c2cccs2)c1 c1csc(c1)[*:1] CN[C@@H](C)c1cc[nH+]c(c1)N(C)[C@@H](C)[*:1]
CC(C)Oc1ccc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(C)C)cc1 CC(C)O[*:1] CC(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(C)C)cc1 CC(C)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)NC[C@H]1CCO[C@@H]1[*:1]
CC(C)Oc1ccc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(C)C)cc1 CC(C)[*:1] CC(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(cc1)O[*:1]
COCCCOC1CC[NH+](Cc2ccc(C)cc2C)CC1 COCCC[*:1] Cc1ccc(C[NH+]2CCC(CC2)O[*:1])c(C)c1
COCCCOC1CC[NH+](Cc2ccc(C)cc2C)CC1 COCC[*:1] Cc1ccc(C[NH+]2CCC(CC2)OC[*:1])c(C)c1
COCCCOC1CC[NH+](Cc2ccc(C)cc2C)CC1 COC[*:1] Cc1ccc(C[NH+]2CCC(CC2)OCC[*:1])c(C)c1
COCCCOC1CC[NH+](Cc2ccc(C)cc2C)CC1 COCCCO[*:1] Cc1ccc(C[NH+]2CCC(CC2)[*:1])c(C)c1
COc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(C#N)c3)oc12 CC(=O)NC(=O)[*:1] COc1cccc2cc(/c(=N/c3cccc(C#N)c3)oc12)[*:1]
COc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(C#N)c3)oc12 N#Cc1cccc(c1)[*:1] COc1cccc2cc(C(=O)NC(C)=O)c(=N[*:1])oc12
CCC(C)(C)N1C(=O)[C@H]2CCCN2C(=O)[C@H]1C(C)C CC(C)[*:1] CCC(C)(C)N1C(=O)[C@H]2CCCN2C(=O)[C@@H]1[*:1]
CCC(C)(C)N1C(=O)[C@H]2CCCN2C(=O)[C@H]1C(C)C CCC(C)(C)[*:1] CC(C)[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CC[NH+](C(C)C)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)CN1CC[NH+](CC1)C(C)C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CC[NH+](C(C)C)CC1 CC(C)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CC[NH+](CC1)[*:1]
CCOc1cc([C@H]2CC(=O)Nc3c2c(C)nn3C)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])[C@H]1CC(=O)Nc2c1c(C)nn2C
CS(=O)(=O)CCNC(=O)Nc1ccc2c(c1)oc1ccccc12 CS(=O)(=O)CC[*:1] O=C(Nc1ccc2c(c1)oc1ccccc12)N[*:1]
CS(=O)(=O)CCNC(=O)Nc1ccc2c(c1)oc1ccccc12 CS(=O)(=O)[*:1] O=C(NCC[*:1])Nc1ccc2c(c1)oc1ccccc12
CS(=O)(=O)CCNC(=O)Nc1ccc2c(c1)oc1ccccc12 CS(=O)(=O)C[*:1] O=C(NC[*:1])Nc1ccc2c(c1)oc1ccccc12
COc1ccc(-c2nc([C@H]3C=c4cc(C)ccc4=[NH+]C3=O)no2)cc1 COc1ccc(cc1)[*:1] Cc1ccc2=[NH+]C(=O)[C@H](C=c2c1)c1noc(n1)[*:1]
CC(C)(C)NC(=O)C[NH2+]Cc1ccc(-c2ccccc2)s1 CC(C)(C)[*:1] O=C(C[NH2+]Cc1ccc(s1)-c1ccccc1)N[*:1]
CC(C)(C)NC(=O)C[NH2+]Cc1ccc(-c2ccccc2)s1 CC(C)(C)NC(=O)[*:1] c1ccc(cc1)-c1ccc(C[NH2+]C[*:1])s1
CC(C)(C)NC(=O)C[NH2+]Cc1ccc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)C[NH2+]Cc1ccc(s1)[*:1]
Cc1nc(SCC(=O)N[C@@H]2CCC[C@H]2C(N)=O)c(C#N)c(C)c1C NC(=O)[*:1] Cc1nc(SCC(=O)N[C@@H]2CCC[C@@H]2[*:1])c(C#N)c(C)c1C
COC(=O)[C@H]1CN(C(=O)N[C@H](C)c2ccc(Cl)s2)C[C@@H]1C Clc1ccc(s1)[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)C(=O)N[C@H](C)[*:1]
COC(=O)[C@H]1CN(C(=O)N[C@H](C)c2ccc(Cl)s2)C[C@@H]1C COC(=O)[*:1] C[C@@H](NC(=O)N1C[C@H](C)[C@H](C1)[*:1])c1ccc(Cl)s1
CN(CC(=O)NC(C)(C)C)C(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CN(CC(=O)NC(C)(C)C)C(=O)c1cc(ccc1Cl)[*:1]
CN(CC(=O)NC(C)(C)C)C(=O)c1cc(N2CCCC2=O)ccc1Cl CC(C)(C)NC(=O)[*:1] CN(C[*:1])C(=O)c1cc(ccc1Cl)N1CCCC1=O
CN(CC(=O)NC(C)(C)C)C(=O)c1cc(N2CCCC2=O)ccc1Cl CC(C)(C)[*:1] CN(CC(=O)N[*:1])C(=O)c1cc(ccc1Cl)N1CCCC1=O
CN(CC(=O)NC(C)(C)C)C(=O)c1cc(N2CCCC2=O)ccc1Cl CC(C)(C)NC(=O)C[*:1] CN(C(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
N#CCc1cccc(C(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] N#CCc1cccc(c1)C(=O)NNC(=O)NCc1cccc(c1)[*:1]
N#CCc1cccc(C(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)c1 N#CC[*:1] O=C(NCc1cccc(c1)C(F)(F)F)NNC(=O)c1cccc(c1)[*:1]
N#CCc1cccc(C(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)c1 N#CCc1cccc(c1)[*:1] O=C(NCc1cccc(c1)C(F)(F)F)NNC(=O)[*:1]
COc1cccc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)c1F O=C(N1CCCC1)[*:1] COc1cccc(C(=O)N2CSC[C@H]2[*:1])c1F
COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)Cc3ccsc3)C2=O)c1 c1cc(cs1)[*:1] COc1cc(cc(c1)N1CC[C@H]([NH2+][C@H](C)C[*:1])C1=O)OC
COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)Cc3ccsc3)C2=O)c1 c1cc(cs1)C[*:1] COc1cc(cc(c1)N1CC[C@H]([NH2+][C@H](C)[*:1])C1=O)OC
CC(C)CNC(=O)c1ccc(NC(=O)Nc2cnn(C(C)(C)C)c2)cc1 CC(C)C[*:1] CC(C)(C)n1cc(cn1)NC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)Nc2cnn(C(C)(C)C)c2)cc1 CC(C)CNC(=O)[*:1] CC(C)(C)n1cc(cn1)NC(=O)Nc1ccc(cc1)[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)Nc2cnn(C(C)(C)C)c2)cc1 CC(C)[*:1] CC(C)(C)n1cc(cn1)NC(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)Nc2cnn(C(C)(C)C)c2)cc1 CC(C)(C)[*:1] CC(C)CNC(=O)c1ccc(cc1)NC(=O)Nc1cnn(c1)[*:1]
O=C([O-])c1cccc(CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 Clc1ccc(cc1)[*:1] O=C([O-])c1cccc(c1)CN1C(=O)SC(=C[*:1])C1=O
O=C([O-])c1cccc(CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 O=C([O-])[*:1] O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1cccc(c1)[*:1]
C[C@@H](C(=O)[O-])[C@@H](C)[NH+]1CCN(c2nccs2)CC1 O=C([O-])[*:1] C[C@H]([C@H](C)[*:1])[NH+]1CCN(CC1)c1nccs1
C[C@@H](C(=O)[O-])[C@@H](C)[NH+]1CCN(c2nccs2)CC1 c1csc(n1)[*:1] C[C@@H](C(=O)[O-])[C@@H](C)[NH+]1CCN(CC1)[*:1]
CC[C@@H](CNC(=O)N1CCOC[C@H]1C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)N1CCOC[C@H]1C)[*:1]
CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OC)c1C CCN(CC)C(=O)[*:1] COC(=O)c1c(NC(=O)c2ccccc2)sc(c1C)[*:1]
CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OC)c1C COC(=O)[*:1] CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2)c(c1C)[*:1]
CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OC)c1C c1ccc(cc1)[*:1] CCN(CC)C(=O)c1sc(NC(=O)[*:1])c(C(=O)OC)c1C
NC(=O)c1sc2ncccc2c1C1CCC(C[NH2+]CC2=CCCOC2)CC1 NC(=O)[*:1] C1CCOCC=1C[NH2+]CC1CCC(CC1)c1c(sc2ncccc12)[*:1]
CC1=C(C(N)=O)[C@H](c2ccc(OC(F)(F)F)cc2)N2NC=NC2=N1 FC(F)(F)[*:1] CC1N=C2N=CNN2[C@H](C=1C(N)=O)c1ccc(cc1)O[*:1]
CC1=C(C(N)=O)[C@H](c2ccc(OC(F)(F)F)cc2)N2NC=NC2=N1 NC(=O)[*:1] CC1N=C2N=CNN2[C@H](C=1[*:1])c1ccc(cc1)OC(F)(F)F
CC1=C(C(N)=O)[C@H](c2ccc(OC(F)(F)F)cc2)N2NC=NC2=N1 FC(F)(F)O[*:1] CC1N=C2N=CNN2[C@H](C=1C(N)=O)c1ccc(cc1)[*:1]
C[NH+]1CCc2nc3sc(C(=O)C(C)(C)C)c(N)c3c(-c3cccs3)c2C1 CC(C)(C)[*:1] C[NH+]1CCc2nc3sc(C(=O)[*:1])c(N)c3c(-c3cccs3)c2C1
C[NH+]1CCc2nc3sc(C(=O)C(C)(C)C)c(N)c3c(-c3cccs3)c2C1 c1csc(c1)[*:1] C[NH+]1CCc2nc3sc(C(=O)C(C)(C)C)c(N)c3c(c2C1)[*:1]
C[NH+]1CCc2nc3sc(C(=O)C(C)(C)C)c(N)c3c(-c3cccs3)c2C1 CC(C)(C)C(=O)[*:1] C[NH+]1CCc2nc3sc(c(N)c3c(-c3cccs3)c2C1)[*:1]
Cn1nccc1C(=O)Nc1ccc2c(c1)nc(CCc1ccccc1)n2C Cn1nccc1[*:1] Cn1c(CCc2ccccc2)nc2cc(ccc21)NC(=O)[*:1]
Cn1nccc1C(=O)Nc1ccc2c(c1)nc(CCc1ccccc1)n2C Cn1nccc1C(=O)N[*:1] Cn1c(CCc2ccccc2)nc2cc(ccc21)[*:1]
Cn1nccc1C(=O)Nc1ccc2c(c1)nc(CCc1ccccc1)n2C c1ccc(cc1)[*:1] Cn1nccc1C(=O)Nc1ccc2c(c1)nc(CC[*:1])n2C
Cn1nccc1C(=O)Nc1ccc2c(c1)nc(CCc1ccccc1)n2C c1ccc(cc1)C[*:1] Cn1nccc1C(=O)Nc1ccc2c(c1)nc(C[*:1])n2C
Cn1nccc1C(=O)Nc1ccc2c(c1)nc(CCc1ccccc1)n2C c1ccc(cc1)CC[*:1] Cn1nccc1C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
CCc1nn(C)cc1CNCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 CCc1nn(C)cc1[*:1] C[C@@H]1CN(CCO1)c1ccc(c[nH+]1)CNC[*:1]
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1 c1cc2OCOc2cc1[*:1] Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1 Cc1ccnc(n1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccc2OCOc2c1
CS(=O)(=O)c1ccc(Oc2ccc(C#N)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc(Oc2ccc(C#N)cc2)c(c1)[*:1]
CS(=O)(=O)c1ccc(Oc2ccc(C#N)cc2)c([N+](=O)[O-])c1 CS(=O)(=O)[*:1] N#Cc1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])[*:1]
O=C(C[NH+]1CCC(c2nnc(C3CC3)o2)CC1)Nc1ccccc1F C1CC1[*:1] O=C(C[NH+]1CCC(CC1)c1nnc(o1)[*:1])Nc1ccccc1F
O=C(C[NH+]1CCC(c2nnc(C3CC3)o2)CC1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)c1nnc(o1)C1CC1)N[*:1]
O=C(C[NH+]1CCC(c2nnc(C3CC3)o2)CC1)Nc1ccccc1F C1CC1c1nnc(o1)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1ccccc1F
CS(=O)(=O)[N-]c1cccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] CS(=O)(=O)[N-]c1cccc(c1)C(=O)NCCc1ccc(cc1)[*:1]
CO[C@H](CNC(=O)c1ccc(F)nc1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](CNC(=O)c1ccc(F)nc1)[*:1]
O=C(CSc1ccccc1)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)SC[*:1] O=C(N(Cc1ccccc1)c1ccccn1)[*:1]
O=C(CSc1ccccc1)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)C[*:1] O=C(CSc1ccccc1)N(c1ccccn1)[*:1]
O=C(CSc1ccccc1)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(CS[*:1])N(Cc1ccccc1)c1ccccn1
O=C(CSc1ccccc1)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(CSc1ccccc1)N(C[*:1])c1ccccn1
O=C(CSc1ccccc1)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)S[*:1] O=C(C[*:1])N(Cc1ccccc1)c1ccccn1
O=C(CSc1ccccc1)N(Cc1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(CSc1ccccc1)N(Cc1ccccc1)[*:1]
O=C(Cn1cnc2sccc2c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 O=c1c2ccsc2ncn1C[*:1] O=C(N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1)[*:1]
O=C(Cn1cnc2sccc2c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 O=c1c2ccsc2ncn1[*:1] O=C(C[*:1])N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1
O=C(Cn1cnc2sccc2c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(Cn1cnc2sccc2c1=O)N1N=C2C(=C[*:1])CCC[C@H]2[C@@H]1c1ccco1
O=C(Cn1cnc2sccc2c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(Cn1cnc2sccc2c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1[*:1]
Cc1ccc(N/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)c1 c1ccc(cc1)[*:1] Cc1ccc(N/C=C(\C#N)C(=O)N[*:1])c(Br)c1
CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)c1cccc(F)c1 CC(C)[*:1] C[C@@H]1CC[C@H](N(CC1)C(=O)c1cccc(F)c1)[*:1]
Cc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1F CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1F)NC(=O)CCc1nc2cc(ccc2n1C)[*:1]
Cc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1F Cc1ccc(cc1F)[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[*:1])n2C
COc1cccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccccc2)c1 COc1cccc(c1)[*:1] O=C1O[C@@H](OC(=O)c2ccccc2)C(N[*:1])=C1Cl
COc1cccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC1=C(Cl)C(=O)O[C@H]1OC(=O)[*:1]
C[C@@H](CO)NC(=O)N[C@@H]1CCSc2ccccc21 C[C@@H](CO)[*:1] O=C(N[C@@H]1CCSc2ccccc21)N[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]3[NH+]=c4ccccc4=C3C2)cc1 CC(=O)N[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CC[C@H]2[NH+]=c3ccccc3=C2C1
Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2ncn(C)n2)CCC3)cc1 Cc1ccc(cc1)[*:1] Cn1cnc(C[NH2+][C@@H]2CCCc3nc(sc32)[*:1])n1
Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2ncn(C)n2)CCC3)cc1 Cn1cnc(n1)[*:1] Cc1ccc(cc1)-c1nc2CCC[C@@H]([NH2+]C[*:1])c2s1
CC[C@@H](CNC(=O)C(C)(C)C)NC(=O)C(C)(C)C CC(C)(C)[*:1] CC[C@@H](CNC(=O)[*:1])NC(=O)C(C)(C)C
CC[C@@H](CNC(=O)C(C)(C)C)NC(=O)C(C)(C)C CC(C)(C)[*:1] CC[C@@H](CNC(=O)C(C)(C)C)NC(=O)[*:1]
Cc1ccsc1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 Cc1ccsc1/C=N/NC(=O)C(=Cc1ccc2OCOc2c1)[*:1]
Cc1ccsc1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 Cc1ccsc1[*:1] O=C(NN=C[*:1])/C(=C\c1ccc2OCOc2c1)NC(=O)c1ccccc1
Cc1ccsc1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccsc1/C=N/NC(=O)/C(=C\c1ccc2OCOc2c1)NC(=O)[*:1]
Cc1ccsc1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 c1cc2OCOc2cc1[*:1] Cc1ccsc1/C=N/NC(=O)C(=C[*:1])NC(=O)c1ccccc1
CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc(OC(F)F)cc2)cs1)c1ccccc1F Fc1ccccc1[*:1] CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc(cc2)OC(F)F)cs1)[*:1]
CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc(OC(F)F)cc2)cs1)c1ccccc1F FC(F)[*:1] CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc(cc2)O[*:1])cs1)c1ccccc1F
CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc(OC(F)F)cc2)cs1)c1ccccc1F FC(F)Oc1ccc(cc1)[*:1] CC(=O)N(c1nc(/C=C/C(=O)N[*:1])cs1)c1ccccc1F
CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc(OC(F)F)cc2)cs1)c1ccccc1F FC(F)O[*:1] CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc(cc2)[*:1])cs1)c1ccccc1F
Cc1cccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(N1CCN(CC1)[C@@H](c1ccccc1)c1ccc(F)cc1)[*:1]
Cc1cccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CCN(CC1)[C@@H](c1ccc(F)cc1)[*:1]
Cc1cccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)[O-] O=C([O-])[*:1] Cc1oc(cc1[*:1])-c1ccc(Cl)cc1[N+](=O)[O-]
Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)[O-] O=[N+]([O-])[*:1] Cc1oc(cc1C(=O)[O-])-c1ccc(Cl)cc1[*:1]
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1]
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)c1ccccc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)[*:1])c1ccccc1
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)c1ccccc1 C[C@@H](NC(=O)[*:1])c1ccccc1 O=S(=O)(c1cccc(c1)[*:1])N1CCN(CC1)c1ccc(F)cc1
COc1cccc(C(=O)N(C[C@@H]2C=c3cc(C)ccc3=[NH+]C2=O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N(C[C@@H]1C=c2cc(C)ccc2=[NH+]C1=O)[*:1]
COc1cccc(C(=O)N(C[C@@H]2C=c3cc(C)ccc3=[NH+]C2=O)c2ccccc2)c1 COc1cccc(c1)[*:1] Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C(=O)[*:1])c1ccccc1
CC(C)n1c(C[NH3+])nnc1SCc1nccs1 CC(C)[*:1] [NH3+]Cc1nnc(SCc2nccs2)n1[*:1]
CC(C)n1c(C[NH3+])nnc1SCc1nccs1 c1csc(n1)[*:1] CC(C)n1c(C[NH3+])nnc1SC[*:1]
Oc1cccc(-c2cn(C[C@H](O)COC3CCCCC3)nn2)c1 C1CCC(CC1)[*:1] Oc1cccc(c1)-c1cn(C[C@H](O)CO[*:1])nn1
Oc1cccc(-c2cn(C[C@H](O)COC3CCCCC3)nn2)c1 Oc1cccc(c1)[*:1] O[C@H](COC1CCCCC1)Cn1cc(nn1)[*:1]
Oc1cccc(-c2cn(C[C@H](O)COC3CCCCC3)nn2)c1 C1CCC(CC1)O[*:1] Oc1cccc(c1)-c1cn(C[C@H](O)C[*:1])nn1
O=C(NC1CCN(C(=O)c2cnc3ccccc3n2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(c1cnc2ccccc2n1)N1CCC(CC1)NC(=O)[*:1]
O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCCc1ccc(Cl)cc1 Fc1ccc(cc1)C[*:1] O=C(CN1CCN(C1=O)[*:1])NCCc1ccc(Cl)cc1
O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NC[*:1]
O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)CC[*:1] O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)N[*:1]
O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCC[*:1]
O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCCc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(C[*:1])C1=O)NCCc1ccc(Cl)cc1
COc1cc(Cl)cc2cc(C(=O)N3CCC[C@@H]3c3ccccn3)oc12 c1ccc(nc1)[*:1] COc1cc(Cl)cc2cc(oc12)C(=O)N1CCC[C@H]1[*:1]
C[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)C(=O)CCCNc1ccc(cc1)[*:1]
C[C@H]1CC(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C[C@H](C)O1 CN(C)S(=O)(=O)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 CCN(CC)S(=O)(=O)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)c2ccsc2)c(F)c1 c1cc(cs1)[*:1] NC(=O)c1ccc(NC(=O)[*:1])c(F)c1
NC(=O)c1ccc(NC(=O)c2ccsc2)c(F)c1 NC(=O)[*:1] O=C(Nc1ccc(cc1F)[*:1])c1ccsc1
COc1ccccc1NC(=S)N/N=C(\C)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1NC(=S)NN=C(C)[*:1]
COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)C(C)(C)C)CC3)n2)cc1 COc1ccc(cc1)N[*:1] Cc1cc(nc(n1)N1CCN(CC1)C(=O)C(C)(C)C)[*:1]
COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)C(C)(C)C)CC3)n2)cc1 COc1ccc(cc1)[*:1] Cc1cc(nc(n1)N1CCN(CC1)C(=O)C(C)(C)C)N[*:1]
COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)C(C)(C)C)CC3)n2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)Nc1cc(C)nc(n1)N1CCN(CC1)C(=O)[*:1]
CC(C)C[NH2+]Cc1ccc(Br)cc1-n1ccnc1C#N CC(C)[*:1] N#Cc1nccn1-c1cc(Br)ccc1C[NH2+]C[*:1]
CC(C)C[NH2+]Cc1ccc(Br)cc1-n1ccnc1C#N CC(C)C[*:1] N#Cc1nccn1-c1cc(Br)ccc1C[NH2+][*:1]
Cc1c(Cl)c(-c2ccc(N(C)S(C)(=O)=O)cc2)nc2cc3c(cc12)OCO3 CN(S(C)(=O)=O)[*:1] Cc1c(Cl)c(nc2cc3OCOc3cc12)-c1ccc(cc1)[*:1]
CC[C@H](Sc1nnc(C2CC2)s1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](Sc1nnc(s1)C1CC1)C(=O)[*:1]
CC[C@H](Sc1nnc(C2CC2)s1)C(=O)c1ccccc1 C1CC1[*:1] CC[C@H](Sc1nnc(s1)[*:1])C(=O)c1ccccc1
C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1ccccc1Cl CC(C)(C)[*:1] C[C@@H]([NH2+]Cc1nnc(o1)[*:1])c1ccccc1Cl
CCOc1ccc([C@@H]([NH2+]C)c2ccc(C)s2)c(Br)c1 Cc1ccc(s1)[*:1] CCOc1ccc(c(Br)c1)[C@@H]([NH2+]C)[*:1]
CCOc1ccc([C@@H]([NH2+]C)c2ccc(C)s2)c(Br)c1 CCO[*:1] C[NH2+][C@@H](c1ccc(C)s1)c1ccc(cc1Br)[*:1]
COc1cccc(C(=O)N(C(C)C)C2CCCC2)n1 C1CCC(C1)[*:1] COc1cccc(n1)C(=O)N(C(C)C)[*:1]
COc1cccc(C(=O)N(C(C)C)C2CCCC2)n1 CC(C)[*:1] COc1cccc(n1)C(=O)N(C1CCCC1)[*:1]
Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)s1 Cc1ccc(s1)[*:1] O=C([C@@H]1C[C@@H]1[*:1])N1CCN(CC1)[C@@H]1CCC[C@@H]1O
Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)s1 O[C@H]1CCC[C@H]1[*:1] Cc1ccc(s1)[C@H]1C[C@H]1C(=O)N1CCN(CC1)[*:1]
CC(C)C(=O)NCCNC(=O)Nc1ccnn1C1CCCCC1 CC(C)C(=O)N[*:1] O=C(NCC[*:1])Nc1ccnn1C1CCCCC1
CC(C)C(=O)NCCNC(=O)Nc1ccnn1C1CCCCC1 C1CCC(CC1)[*:1] CC(C)C(=O)NCCNC(=O)Nc1ccnn1[*:1]
CC(C)C(=O)NCCNC(=O)Nc1ccnn1C1CCCCC1 CC(C)[*:1] O=C(NCCNC(=O)[*:1])Nc1ccnn1C1CCCCC1
CC(C)C(=O)NCCNC(=O)Nc1ccnn1C1CCCCC1 CC(C)C(=O)NC[*:1] O=C(NC[*:1])Nc1ccnn1C1CCCCC1
CCn1c([C@@H]2CCCN2C(=O)NCCn2cccc2)nc2ccccc21 c1ccn(c1)CC[*:1] CCn1c(nc2ccccc21)[C@@H]1CCCN1C(=O)N[*:1]
CCn1c([C@@H]2CCCN2C(=O)NCCn2cccc2)nc2ccccc21 c1ccn(c1)[*:1] CCn1c(nc2ccccc21)[C@@H]1CCCN1C(=O)NCC[*:1]
CCn1c([C@@H]2CCCN2C(=O)NCCn2cccc2)nc2ccccc21 c1ccn(c1)C[*:1] CCn1c(nc2ccccc21)[C@@H]1CCCN1C(=O)NC[*:1]
CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1sc(-c2ccsc2)nc1C Cc1ccc(Cl)cc1[*:1] CCN(CC(=O)N[*:1])C(=O)c1sc(nc1C)-c1ccsc1
CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1sc(-c2ccsc2)nc1C c1cc(cs1)[*:1] CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1sc(nc1C)[*:1]
CSc1ncccc1C(=O)N1CCC(CNC(=O)c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] CSc1ncccc1C(=O)N1CCC(CC1)CNC(=O)[*:1]
CSc1ncccc1C(=O)N1CCC(CNC(=O)c2ccc(Cl)s2)CC1 CSc1ncccc1[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1ccc(Cl)s1
C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)O[*:1]
C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)OC[*:1]
C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)CO[*:1] C[NH+](C)[C@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)[*:1]
C[C@H]1Cc2ccccc2N1c1cc(-n2ccnc2)ncn1 c1cn(cn1)[*:1] C[C@H]1Cc2ccccc2N1c1cc(ncn1)[*:1]
COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3nnn[n-]3)cc2)CC1 COC[*:1] O=C(NCc1nnn[n-]1)c1ccc(cc1)OC1CCN(CC1)C(=O)[*:1]
O=C(NCC(F)(F)F)c1coc(COc2cccc(F)c2)n1 Fc1cccc(c1)[*:1] O=C(NCC(F)(F)F)c1coc(CO[*:1])n1
O=C(NCC(F)(F)F)c1coc(COc2cccc(F)c2)n1 FC(F)(F)C[*:1] O=C(N[*:1])c1coc(COc2cccc(F)c2)n1
O=C(NCC(F)(F)F)c1coc(COc2cccc(F)c2)n1 FC(F)(F)[*:1] O=C(NC[*:1])c1coc(COc2cccc(F)c2)n1
CCOC(=O)C1=C(C)[C@H](C(=O)N(CC)c2cccc(C)c2)C(C)=N1 Cc1cccc(c1)[*:1] CCOC(=O)C1N=C(C)[C@@H](C(=O)N(CC)[*:1])C=1C
CCOC(=O)C1=C(C)[C@H](C(=O)N(CC)c2cccc(C)c2)C(C)=N1 CCOC(=O)[*:1] CCN(C(=O)[C@@H]1C(C)=NC(=C1C)[*:1])c1cccc(C)c1
CCn1cc(C(=O)N2CC[NH+](CCC(C)C)CC2)cn1 CC(C)C[*:1] CCn1cc(cn1)C(=O)N1CC[NH+](CC1)C[*:1]
CCn1cc(C(=O)N2CC[NH+](CCC(C)C)CC2)cn1 CC(C)CC[*:1] CCn1cc(cn1)C(=O)N1CC[NH+](CC1)[*:1]
CCn1cc(C(=O)N2CC[NH+](CCC(C)C)CC2)cn1 CC(C)[*:1] CCn1cc(cn1)C(=O)N1CC[NH+](CC1)CC[*:1]
C[C@H]1C[C@@H]1COC(=O)CCNC(=O)c1ccsc1 c1cc(cs1)[*:1] C[C@H]1C[C@@H]1COC(=O)CCNC(=O)[*:1]
CC1=C[C@H](C(=O)N2CC[C@@]3(CCCN(CC4CCCCC4)C3=O)C2)N=N1 C1CCC(CC1)[*:1] CC1=C[C@@H](N=N1)C(=O)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
CC1=C[C@H](C(=O)N2CC[C@@]3(CCCN(CC4CCCCC4)C3=O)C2)N=N1 C1CCC(CC1)C[*:1] CC1=C[C@@H](N=N1)C(=O)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCCC[C@@H]3CO)c2)s1 N#Cc1ccc(s1)[*:1] O=C(NCc1cccc(c1)[*:1])N[C@H]1CCCC[C@@H]1CO
COc1cc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)ccc1OC(C)C CC(C)O[*:1] COc1cc(/C=C2/N=C(OC2=O)c2cccc3ccccc23)ccc1[*:1]
COc1cc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)ccc1OC(C)C CC(C)[*:1] COc1cc(/C=C2/N=C(OC2=O)c2cccc3ccccc23)ccc1O[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnn2c1OCCC2 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])c1cnn2CCCOc12
O=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1ccccn1)C[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(c1cc(n[nH]1)[*:1])N(Cc1ccccn1)C[C@H]1CCCO1
O=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1ccccn1)C[C@H]1CCCO1 c1ccc(nc1)[*:1] O=C(c1cc(n[nH]1)-c1ccccc1)N(C[C@H]1CCCO1)C[*:1]
O=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1ccccn1)C[C@H]1CCCO1 c1ccc(C[*:1])nc1 O=C(c1cc(n[nH]1)-c1ccccc1)N(C[C@H]1CCCO1)[*:1]
CC[C@@H](C)Nc1ncnc(Nc2ccc(C)c(Cl)c2)c1N CC[C@@H](C)[*:1] Cc1ccc(cc1Cl)Nc1ncnc(N[*:1])c1N
CC[C@@H](C)Nc1ncnc(Nc2ccc(C)c(Cl)c2)c1N CC[C@@H](C)N[*:1] Cc1ccc(cc1Cl)Nc1ncnc(c1N)[*:1]
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)cc1 CCOC(=O)[*:1] CC(=O)N1CCOc2ccc(cc21)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1nc(-c2ccco2)nc(S)c1C(=O)[O-] c1coc(c1)[*:1] Cc1nc(nc(S)c1C(=O)[O-])[*:1]
Cc1nc(-c2ccco2)nc(S)c1C(=O)[O-] O=C([O-])[*:1] Cc1nc(nc(S)c1[*:1])-c1ccco1
COC(=O)c1ccc(OC(=O)COc2cccc(C)c2C)cc1 COC(=O)[*:1] Cc1cccc(OCC(=O)Oc2ccc(cc2)[*:1])c1C
Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/CC(C)C)NC1=O CC(C)C[*:1] Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(=N[*:1])NC1=O
Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/CC(C)C)NC1=O CC(C)[*:1] Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N/C[*:1])NC1=O
O=C(NCc1cccnc1)c1c(-c2ccc(F)cc2)nc2n1CCS2(=O)=O c1cncc(c1)[*:1] O=C(NC[*:1])c1c(nc2n1CCS2(=O)=O)-c1ccc(F)cc1
O=C(NCc1cccnc1)c1c(-c2ccc(F)cc2)nc2n1CCS2(=O)=O c1cncc(c1)C[*:1] O=C(N[*:1])c1c(nc2n1CCS2(=O)=O)-c1ccc(F)cc1
O=C(NCc1cccnc1)c1c(-c2ccc(F)cc2)nc2n1CCS2(=O)=O Fc1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1c(nc2n1CCS2(=O)=O)[*:1]
CCn1nc(C)cc1C(=O)N(CC[NH+](C)C)c1nc2c(Cl)cccc2s1 CCn1nc(C)cc1[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2c(Cl)cccc2s1
COc1cccc2ccn(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c12 c1ccc(cc1)[*:1] COc1cccc2ccn(CCC(=O)NC3CC[NH+](CC3)C[*:1])c12
COc1cccc2ccn(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c12 c1ccc(cc1)C[*:1] COc1cccc2ccn(CCC(=O)NC3CC[NH+](CC3)[*:1])c12
Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)o2)n1 c1cc2ccc(cc2[nH]1)[*:1] Cc1cc(C)nc(n1)SCc1ccc(o1)C(=O)N[*:1]
Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)o2)n1 Cc1cc(C)nc(n1)[*:1] O=C(Nc1ccc2cc[nH]c2c1)c1ccc(CS[*:1])o1
Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)o2)n1 Cc1cc(C)nc(n1)S[*:1] O=C(Nc1ccc2cc[nH]c2c1)c1ccc(C[*:1])o1
COc1ccc(Sc2nsc(NC(=O)c3cc(C)no3)n2)cc1 Cc1cc(on1)[*:1] COc1ccc(cc1)Sc1nsc(n1)NC(=O)[*:1]
CCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2OC)C3=O)s1 CCc1nnc(s1)[*:1] COc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
CCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2OC)C3=O)s1 COc1ccccc1[*:1] CCc1nnc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)[*:1])s1
O=C(c1cnc([C@@H]2CCCO2)s1)N1CC[C@@H](O)C1 C1CO[C@@H](C1)[*:1] O=C(c1cnc(s1)[*:1])N1CC[C@@H](O)C1
COc1ccc(-c2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)cc1 COc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)Nc1nc(cs1)[*:1])OC
Cc1nn(C)cc1-c1cc(C(=O)[O-])n2nc(C)c(Br)c2n1 Cc1nn(C)cc1[*:1] Cc1nn2c(cc(nc2c1Br)[*:1])C(=O)[O-]
Cc1nn(C)cc1-c1cc(C(=O)[O-])n2nc(C)c(Br)c2n1 O=C([O-])[*:1] Cc1nn(C)cc1-c1cc(n2nc(C)c(Br)c2n1)[*:1]
O=C(CN1CCN(C(=O)NCC2CCC2)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(NCC1CCC1)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)NCC2CCC2)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)C(=O)NCC1CCC1)N[*:1]
O=C(CN1CCN(C(=O)NCC2CCC2)CC1)NC1CC1 C1CC(C1)C[*:1] O=C(CN1CCN(CC1)C(=O)N[*:1])NC1CC1
O=C(CN1CCN(C(=O)NCC2CCC2)CC1)NC1CC1 C1CC(C1)[*:1] O=C(CN1CCN(CC1)C(=O)NC[*:1])NC1CC1
O=C(CN1CCN(C(=O)NCC2CCC2)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NCC1CCC1)N1CCN(CC1)C[*:1]
CCNC(=O)NCC(=O)Nc1ccc(F)c(F)c1F CCNC(=O)N[*:1] O=C(C[*:1])Nc1ccc(F)c(F)c1F
Cc1ccc(CN(C)Cc2ccc(N3CCCC3)[nH+]c2)s1 C1CCN(C1)[*:1] Cc1ccc(CN(C)Cc2ccc([nH+]c2)[*:1])s1
Cc1ccc(CN(C)Cc2ccc(N3CCCC3)[nH+]c2)s1 Cc1ccc(s1)[*:1] CN(Cc1ccc([nH+]c1)N1CCCC1)C[*:1]
Cc1ccc(CN(C)Cc2ccc(N3CCCC3)[nH+]c2)s1 Cc1ccc(C[*:1])s1 CN(Cc1ccc([nH+]c1)N1CCCC1)[*:1]
O=C(NCc1ccnc(OCC(F)F)c1)c1ccc([O-])nn1 FC(F)[*:1] O=C(NCc1ccnc(c1)OC[*:1])c1ccc([O-])nn1
O=C(NCc1ccnc(OCC(F)F)c1)c1ccc([O-])nn1 FC(F)CO[*:1] O=C(NCc1ccnc(c1)[*:1])c1ccc([O-])nn1
O=C(NCc1ccnc(OCC(F)F)c1)c1ccc([O-])nn1 FC(F)C[*:1] O=C(NCc1ccnc(c1)O[*:1])c1ccc([O-])nn1
O=C(NCc1ccnc(OCC(F)F)c1)c1ccc([O-])nn1 [O-]c1ccc(nn1)[*:1] O=C(NCc1ccnc(c1)OCC(F)F)[*:1]
O=C1C[C@@H](C(=O)N2CCOc3ccc(F)cc32)CN1Cc1ccco1 c1coc(c1)C[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCOc2ccc(F)cc21
O=C1C[C@@H](C(=O)N2CCOc3ccc(F)cc32)CN1Cc1ccco1 c1coc(c1)[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCOc2ccc(F)cc21
COC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 COC(=O)[*:1] C[C@H]1CCC[C@H](C1)[NH2+][C@@H](C)[C@@H](C)[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2F)cc1 Fc1ccc(Cl)cc1[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@H](NC(=O)CSc1nnc(NN)s1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nnc(NN)s1)[*:1]
CCCOc1cccc(C(=O)Nc2cn(C)nc2CC)c1 CCC[*:1] CCc1nn(C)cc1NC(=O)c1cccc(c1)O[*:1]
CCCOc1cccc(C(=O)Nc2cn(C)nc2CC)c1 CCCO[*:1] CCc1nn(C)cc1NC(=O)c1cccc(c1)[*:1]
Cc1ccc(OC[C@H]2CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)cc1 Cc1ccc(cc1)[*:1] O=C(c1c[nH]c(=O)[nH]c1=O)N1CCC[C@H](CO[*:1])C1
Cc1ccc(OC[C@H]2CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)cc1 O=c1[nH]cc(c(=O)[nH]1)[*:1] Cc1ccc(cc1)OC[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(OC[C@H]2CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)cc1 Cc1ccc(cc1)O[*:1] O=C(c1c[nH]c(=O)[nH]c1=O)N1CCC[C@@H](C1)C[*:1]
Cc1cc(NC2CCCC2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 C1CCC(C1)[*:1] Cc1cc(nc(n1)[C@@H]1CCCN1S(C)(=O)=O)N[*:1]
Cc1cc(NC2CCCC2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 C1CCC(C1)N[*:1] Cc1cc(nc(n1)[C@@H]1CCCN1S(C)(=O)=O)[*:1]
CCC[NH2+][C@H]1[C@@H](Sc2nnnn2C2CC2)CCCC1(C)C C1CC1[*:1] CCC[NH2+][C@H]1[C@H](CCCC1(C)C)Sc1nnnn1[*:1]
CCC[NH2+][C@H]1[C@@H](Sc2nnnn2C2CC2)CCCC1(C)C CCC[*:1] CC1(C)CCC[C@H](Sc2nnnn2C2CC2)[C@@H]1[NH2+][*:1]
CCc1ocnc1C(=O)N[C@@H](CO)CC(C)(C)C CC(C)(C)C[*:1] CCc1ocnc1C(=O)N[C@@H](CO)[*:1]
CCc1ocnc1C(=O)N[C@@H](CO)CC(C)(C)C CC(C)(C)[*:1] CCc1ocnc1C(=O)N[C@@H](CO)C[*:1]
CCc1ccc([C@@H]2CC[NH2+]C[C@H]2CC(C)C)s1 CC(C)[*:1] CCc1ccc(s1)[C@@H]1CC[NH2+]C[C@H]1C[*:1]
CCc1ccc([C@@H]2CC[NH2+]C[C@H]2CC(C)C)s1 CC(C)C[*:1] CCc1ccc(s1)[C@@H]1CC[NH2+]C[C@@H]1[*:1]
O=C(Nc1ccccc1)[C@H]1CC(O)=Nc2nc3ccccc3n21 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CC(O)=Nc2nc3ccccc3n21
CCN(CC(=O)Nc1ccccc1OC)c1ncccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(CC(=O)Nc1ccccc1OC)c1ncccc1[*:1]
CCN(CC(=O)Nc1ccccc1OC)c1ncccc1[N+](=O)[O-] COc1ccccc1[*:1] CCN(CC(=O)N[*:1])c1ncccc1[N+](=O)[O-]
CCCCn1cnc2c(cnn2-c2cccc(C)c2C)c1=O CCC[*:1] Cc1cccc(c1C)-n1ncc2c(=O)n(cnc21)C[*:1]
CCCCn1cnc2c(cnn2-c2cccc(C)c2C)c1=O CCCC[*:1] Cc1cccc(c1C)-n1ncc2c(=O)n(cnc21)[*:1]
CC(C)NC(=O)C1CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 CC(C)NC(=O)[*:1] Fc1cc(F)cc(c1)Oc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CC(C)NC(=O)C1CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 Fc1cc(F)cc(c1)O[*:1] CC(C)NC(=O)C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(C)NC(=O)C1CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 Fc1cc(F)cc(c1)[*:1] CC(C)NC(=O)C1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
CC(C)NC(=O)C1CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 CC(C)[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1ccc(cc1)Oc1cc(F)cc(F)c1
COC[C@@](C)(O)CNC(=O)c1cc(OC)cc(OC)c1 COC[*:1] COc1cc(cc(c1)C(=O)NC[C@@](C)(O)[*:1])OC
C[C@@H](c1ccccn1)[C@@H](O)CCC1CCCC1 C1CCC(C1)[*:1] C[C@@H](c1ccccn1)[C@@H](O)CC[*:1]
CCOC(=O)[C@H](CC)Nc1cc(OC)ccc1F CCOC(=O)[*:1] CC[C@H](Nc1cc(ccc1F)OC)[*:1]
COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4ncn(Cc5ccc(F)cc5)n4)c23)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1cc(nc2onc(c12)[*:1])C1CC1
COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4ncn(Cc5ccc(F)cc5)n4)c23)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1noc2nc(cc(C(=O)Nc3ncn(n3)[*:1])c12)C1CC1
COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4ncn(Cc5ccc(F)cc5)n4)c23)cc1 C1CC1[*:1] COc1ccc(cc1)-c1noc2nc(cc(C(=O)Nc3ncn(Cc4ccc(F)cc4)n3)c12)[*:1]
COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4ncn(Cc5ccc(F)cc5)n4)c23)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc2nc(cc(C(=O)Nc3ncn(C[*:1])n3)c12)C1CC1
C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccccc1 c1csc(c1)C[*:1] C[NH+](C)CCN(C(=O)c1ccccc1)[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccccc1 c1csc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1ccccc1
C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)CCN(Cc1cccs1)C(=O)[*:1]
CN1CCN(C(=O)C2(c3ccccc3)CC2)C[C@]12CCNC(=O)CC2 c1ccc(cc1)[*:1] CN1CCN(C[C@]12CCNC(=O)CC2)C(=O)C1(CC1)[*:1]
COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccncc2)c1OC c1cc(ccn1)[*:1] COc1cccc(NC(=O)N2CCn3cccc3[C@H]2[*:1])c1OC
CC(=O)N(C)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 CC(=O)N(C)[*:1] O=C(Nc1ccc(F)cc1)Nc1ccc(cc1)[*:1]
CC(=O)N(C)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(=O)N(C)c1ccc(cc1)NC(=O)N[*:1]
c1ccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 C1CCC(C1)[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)[NH2+][*:1]
c1ccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 c1ccc(cc1)[*:1] C1CCC(C1)[NH2+]C1CC[NH+](CC1)C[*:1]
C/[NH+]=C(/NCC(C)(C)c1ccccc1)N[C@@H]1C[C@@H]1C c1ccc(cc1)[*:1] C/[NH+]=C(/NCC(C)(C)[*:1])N[C@@H]1C[C@@H]1C
O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CCO[C@H](C1)c1cccc(F)c1
O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)C(=O)N1CCO[C@@H](C1)[*:1]
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 Clc1ccc(cc1Cl)[*:1] CN(C[*:1])C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21
C[C@H]1CN(C[C@@H]2CN(C(=O)c3ncccc3F)C[C@@H]2CO)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)[*:1] O=C(c1ncccc1F)N1C[C@H](CO)[C@@H](C1)C[*:1]
C[C@H]1CN(C[C@@H]2CN(C(=O)c3ncccc3F)C[C@@H]2CO)C[C@@H](C)O1 Fc1cccnc1[*:1] C[C@H]1CN(C[C@@H](C)O1)C[C@@H]1CN(C[C@@H]1CO)C(=O)[*:1]
CCCn1c([C@@H](C)[NH3+])nc2cc(Cl)ccc21 CCC[*:1] C[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1[*:1]
COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ncccc1C Cc1cccnc1[*:1] COc1cc(C)c(Br)cc1S(=O)(=O)N[*:1]
CCC1(CC)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CCC1(CC)NC(=O)N(C[C@H](O)[*:1])C1=O
COc1ccc(NC(=O)Nc2nnc(CCc3ccccc3)s2)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)NC(=O)Nc1nnc(s1)[*:1]
COc1ccc(NC(=O)Nc2nnc(CCc3ccccc3)s2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nnc(CCc2ccccc2)s1)N[*:1]
COc1ccc(NC(=O)Nc2nnc(CCc3ccccc3)s2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Nc1nnc(CC[*:1])s1
COc1ccc(NC(=O)Nc2nnc(CCc3ccccc3)s2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)NC(=O)Nc1nnc(C[*:1])s1
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NNc1ccccn1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccc(Cl)cc2)n1[*:1])NNc1ccccn1
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NNc1ccccn1 c1ccc(nc1)[*:1] O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NN[*:1]
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NNc1ccccn1 O=C(NNc1ccccn1)[*:1] Clc1ccc(cc1)-c1nnc(SC[*:1])n1-c1ccccc1
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NNc1ccccn1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])NNc1ccccn1
COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(C1)c1cccc(c1)C(F)(F)F
COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CCNC(=O)[C@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)c1cccc(c1)C(F)(F)F
CC[C@H](NCc1ccc(F)cc1F)c1nccs1 c1csc(n1)[*:1] CC[C@H](NCc1ccc(F)cc1F)[*:1]
O=C(/C=C/c1cnc2ccccc2n1)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(/C=C/c1cnc2ccccc2n1)N[*:1]
O=C(/C=C/c1cnc2ccccc2n1)NCc1cccnc1 c1cncc(c1)[*:1] O=C(/C=C/c1cnc2ccccc2n1)NC[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(F)c(F)cc1Cl Fc1cc(Cl)c(cc1F)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCCC1)[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(F)c(F)cc1Cl O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(F)c(F)cc1Cl
Cc1ccccc1CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 Cc1ccccc1C[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)N1CCCCC1)N[*:1]
Cc1ccccc1CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 Cc1ccccc1[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)N1CCCCC1)NC[*:1]
Cc1ccccc1CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccccc1CNC(=O)Cc1ccc(cc1)[*:1]
CC(C)NC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1)C(C)C CC(C)[*:1] CC(C)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
CC(C)NC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1)C(C)C O=[N+]([O-])[*:1] CC(C)NC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(cc1)[*:1])C(C)C
CC(C)NC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1)C(C)C O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)NC(=O)N(CC(=O)N1CCn2cccc2[C@H]1[*:1])C(C)C
CC(C)NC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1)C(C)C CC(C)[*:1] CC(C)NC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)NC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1)C(C)C CC(C)NC(=O)N(C(C)C)[*:1] O=C(C[*:1])N1CCn2cccc2[C@@H]1c1ccc(cc1)[N+](=O)[O-]
Cc1cccc[n+]1[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1cccc[n+]1[C@H](C)C(=O)N1CCC(CC1)[*:1]
Cc1cccc[n+]1[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cccc[n+]1[C@H](C)C(=O)N1CCC(CC1)C[*:1]
O=C(C[C@H](O)c1ccccc1)NC1c2ccccc2Oc2ccccc21 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])NC1c2ccccc2Oc2ccccc21
O=C(C[C@H](O)c1ccccc1)NC1c2ccccc2Oc2ccccc21 O[C@H](c1ccccc1)[*:1] O=C(C[*:1])NC1c2ccccc2Oc2ccccc21
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 CC(C)(C)[*:1] O=C(O[*:1])[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
COc1ccc(-c2csc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)n2)cc1C COc1ccc(cc1C)[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
COc1ccc(-c2csc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)n2)cc1C Fc1ccc(cc1)[*:1] COc1ccc(cc1C)-c1csc(n1)NC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
C[C@H](CNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)Nc1ccccc1 C[C@@H]1C[C@@H]1C(=O)N[*:1] C[C@H](CNC(=O)c1cccc(c1)[*:1])Nc1ccccc1
C[C@H](CNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1cccc(c1)C(=O)NC[C@@H](C)[*:1]
C[C@H](CNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1cccc(c1)NC(=O)[C@H]1C[C@H]1C)N[*:1]
CC(=O)N1CCC(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)C(=O)NCc1cnn(c1)[*:1]
COC[C@@H](C)N1CC[NH+](CC2(CN3CCOCC3)CCCCC2)CC1 C1CN(CCO1)[*:1] COC[C@@H](C)N1CC[NH+](CC1)CC1(CCCCC1)C[*:1]
COC[C@@H](C)N1CC[NH+](CC2(CN3CCOCC3)CCCCC2)CC1 COC[*:1] C[C@@H](N1CC[NH+](CC1)CC1(CCCCC1)CN1CCOCC1)[*:1]
COC[C@@H](C)N1CC[NH+](CC2(CN3CCOCC3)CCCCC2)CC1 C1CN(CCO1)C[*:1] COC[C@@H](C)N1CC[NH+](CC1)CC1(CCCCC1)[*:1]
COC[C@@H](C)N1CC[NH+](CC2(CN3CCOCC3)CCCCC2)CC1 COC[C@@H](C)[*:1] C1CCC(CC1)(CN1CCOCC1)C[NH+]1CCN(CC1)[*:1]
COC(=O)CNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 COC(=O)CNC(=O)[*:1] C[C@](Cc1nc2ccccc2s1)(c1ccccc1)[*:1]
COC(=O)CNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 COC(=O)[*:1] C[C@](Cc1nc2ccccc2s1)(C(=O)NC[*:1])c1ccccc1
COC(=O)CNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)CNC(=O)[C@](C)(Cc1nc2ccccc2s1)[*:1]
COC(=O)CNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 COC(=O)C[*:1] C[C@](Cc1nc2ccccc2s1)(C(=O)N[*:1])c1ccccc1
COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)c1 c1cc2oc(nc2cn1)[*:1] COc1cc(cc(c1)C(=O)Nc1ccc(c(O)c1)[*:1])OC
CC[NH2+][C@H](COCC)[C@@H]1CSCCS1 CCO[*:1] CC[NH2+][C@H](C[*:1])[C@@H]1CSCCS1
CC[NH2+][C@H](COCC)[C@@H]1CSCCS1 CCOC[*:1] CC[NH2+][C@H]([C@@H]1CSCCS1)[*:1]
O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)[C@H]1CCCN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1nnc(o1)-c1cc(Cl)ccc1Cl)[C@H]1CCCN1S(=O)(=O)[*:1]
O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)[C@H]1CCCN1S(=O)(=O)c1cccs1 Clc1ccc(Cl)c(c1)[*:1] O=C(Nc1nnc(o1)[*:1])[C@H]1CCCN1S(=O)(=O)c1cccs1
Cc1cc(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)c2cc(Br)ccc2n1 c1cc2OCOc2cc1[*:1] Cc1cc(C(=O)NCC2(CCOCC2)[*:1])c2cc(Br)ccc2n1
O=C(CC[C@H]1CCCCO1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(CC[C@H]1CCCCO1)N1CCOC[C@@H]1[*:1]
O=C(CC[C@H]1CCCCO1)N1CCOC[C@H]1C1CC1 C1CC[C@@H](OC1)[*:1] O=C(CC[*:1])N1CCOC[C@H]1C1CC1
Cc1noc(C)c1Cc1nn2c(-c3cc(CC(C)C)nn3C)nnc2s1 CC(C)C[*:1] Cc1noc(C)c1Cc1nn2c(nnc2s1)-c1cc(nn1C)[*:1]
Cc1noc(C)c1Cc1nn2c(-c3cc(CC(C)C)nn3C)nnc2s1 Cc1noc(C)c1C[*:1] CC(C)Cc1cc(-c2nnc3sc(nn23)[*:1])n(C)n1
Cc1noc(C)c1Cc1nn2c(-c3cc(CC(C)C)nn3C)nnc2s1 CC(C)[*:1] Cc1noc(C)c1Cc1nn2c(nnc2s1)-c1cc(C[*:1])nn1C
Cc1noc(C)c1Cc1nn2c(-c3cc(CC(C)C)nn3C)nnc2s1 Cc1noc(C)c1[*:1] CC(C)Cc1cc(-c2nnc3sc(C[*:1])nn23)n(C)n1
CCc1cc(N2CCC[C@H](CO)C2)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CCc1cc(nc(n1)[*:1])N1CCC[C@H](CO)C1
FC(F)(F)c1ccccc1-c1ocnc1CCl FC(F)(F)[*:1] ClCc1ncoc1-c1ccccc1[*:1]
Cc1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)sc2ncnc(NC3CC3)c12 FC(F)(F)c1cccc(c1)[*:1] Cc1c(sc2ncnc(NC3CC3)c12)C(=O)N1CCN(CC1)[*:1]
Cc1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)sc2ncnc(NC3CC3)c12 C1CC1N[*:1] Cc1c(sc2ncnc(c12)[*:1])C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Cc1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)sc2ncnc(NC3CC3)c12 C1CC1[*:1] Cc1c(sc2ncnc(N[*:1])c12)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Cc1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)sc2ncnc(NC3CC3)c12 FC(F)(F)[*:1] Cc1c(sc2ncnc(NC3CC3)c12)C(=O)N1CCN(CC1)c1cccc(c1)[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)[C@H](C)NC(C)=O CC(=O)N[*:1] COc1ccccc1C[C@@H](C)N(C)C(=O)[C@H](C)[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)[C@H](C)NC(C)=O CC(=O)N[C@@H](C)[*:1] COc1ccccc1C[C@@H](C)N(C)C(=O)[*:1]
O=c1cc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)c(-c2ccccc2)n[nH]1 c1coc(c1)-c1noc(n1)[*:1] O=c1cc(c(n[nH]1)-c1ccccc1)N1CCN(CC1)C[*:1]
O=c1cc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)c(-c2ccccc2)n[nH]1 c1coc(c1)[*:1] O=c1cc(c(n[nH]1)-c1ccccc1)N1CCN(CC1)Cc1nc(no1)[*:1]
O=c1cc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)c(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] O=c1cc(c(n[nH]1)[*:1])N1CCN(CC1)Cc1nc(no1)-c1ccco1
Cc1ccc(-n2nnnc2N[C@@H]2CCO[C@]3(CCSC3)C2)cc1 Cc1ccc(cc1)[*:1] C1C[C@H](C[C@@]2(CCSC2)O1)Nc1nnnn1[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)c1n[nH]c2c1CCC2 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)c1n[nH]c2CCCc12)[*:1]
O=C(CCSCc1ccccc1F)NC1CCCCCCC1 Fc1ccccc1[*:1] O=C(CCSC[*:1])NC1CCCCCCC1
COc1cc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)n2)cc(OC)c1OC Cc1ccc(cc1F)[*:1] COc1cc(cc(OC)c1OC)-c1noc(n1)[C@H]1CC(=O)N(C1)[*:1]
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cc(ccc1=O)S(=O)(=O)N1CCCC1)NNC(=O)[*:1]
O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NNC(=O)c1ccccc1 O=S(=O)(N1CCCC1)[*:1] O=C(Cn1cc(ccc1=O)[*:1])NNC(=O)c1ccccc1
CC(=O)C1=C(C)C(C(=O)CSC2CCCC2)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)CSC1CCCC1
CC(=O)C1=C(C)C(C(=O)CSC2CCCC2)=N[C@H]1C C1CCC(C1)S[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)C[*:1]
CC(=O)C1=C(C)C(C(=O)CSC2CCCC2)=N[C@H]1C C1CCC(C1)[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)CS[*:1]
CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1c[nH]nc1C(C)(C)C CC(C)(C)[*:1] CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1c[nH]nc1[*:1]
C[C@H]1CCC[C@@H]1NC(=O)NC[C@@H](C)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@@H]1NC(=O)NC[C@@H](C)N[*:1]
C[C@H]1CCC[C@@H]1NC(=O)NC[C@@H](C)Nc1ccccc1 C[C@H]1CCC[C@H]1[*:1] C[C@H](CNC(=O)N[*:1])Nc1ccccc1
Cc1cccc2c(CCNC(=O)NC[C@@](C)(O)c3cccs3)c[nH]c12 c1csc(c1)[*:1] Cc1cccc2c(c[nH]c12)CCNC(=O)NC[C@@](C)(O)[*:1]
CCc1nnc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)s1 CC(C)CO[*:1] CCc1nnc(NC(=O)c2cc(Cl)c(c(c2)OC)[*:1])s1
CCc1nnc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)s1 CC(C)C[*:1] CCc1nnc(NC(=O)c2cc(Cl)c(O[*:1])c(c2)OC)s1
CCc1nnc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)s1 CC(C)[*:1] CCc1nnc(NC(=O)c2cc(Cl)c(OC[*:1])c(c2)OC)s1
CCc1nnc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)s1 CCc1nnc(s1)[*:1] COc1cc(cc(Cl)c1OCC(C)C)C(=O)N[*:1]
Cc1nn(C)cc1-c1cc(C(=O)Nc2ccc(OCc3ccccc3F)cc2)n[nH]1 Fc1ccccc1[*:1] Cc1nn(C)cc1-c1cc(n[nH]1)C(=O)Nc1ccc(cc1)OC[*:1]
Cc1nn(C)cc1-c1cc(C(=O)Nc2ccc(OCc3ccccc3F)cc2)n[nH]1 Fc1ccccc1C[*:1] Cc1nn(C)cc1-c1cc(n[nH]1)C(=O)Nc1ccc(cc1)O[*:1]
Cc1nn(C)cc1-c1cc(C(=O)Nc2ccc(OCc3ccccc3F)cc2)n[nH]1 Cc1nn(C)cc1[*:1] O=C(Nc1ccc(cc1)OCc1ccccc1F)c1cc([nH]n1)[*:1]
Cc1nn(C)cc1-c1cc(C(=O)Nc2ccc(OCc3ccccc3F)cc2)n[nH]1 Fc1ccccc1CO[*:1] Cc1nn(C)cc1-c1cc(n[nH]1)C(=O)Nc1ccc(cc1)[*:1]
CN(C)S(=O)(=O)C[C@@H](O)c1ccc2c(c1)OCO2 CN(C)S(=O)(=O)[*:1] O[C@H](C[*:1])c1ccc2OCOc2c1
COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(Cl)c1 COc1ccc(Cl)cc1[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N[*:1])c1cccc(Cl)c1
COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@H]1[*:1]
Cc1ccc(CNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)c(c1)[*:1]
Cc1ccc(CNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)c(N(C)C)c1 C[C@H](N1CCOCC1)[*:1] Cc1ccc(CNC(=O)N[C@H](C)[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)c(N(C)C)c1 C1CN(CCO1)[*:1] Cc1ccc(CNC(=O)N[C@H](C)[C@H](C)[*:1])c(c1)N(C)C
COc1cccc(CNC(=O)CNC(=O)c2[nH]nc3c2COCC3)c1 COc1cccc(c1)[*:1] O=C(CNC(=O)c1[nH]nc2CCOCc21)NC[*:1]
CCOCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl O=C([O-])[*:1] CCOCCC(=O)Nc1cc(ccc1Cl)[*:1]
CCOCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl CCO[*:1] O=C(CC[*:1])Nc1cc(ccc1Cl)C(=O)[O-]
CCOCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl CCOCC[*:1] O=C([O-])c1ccc(Cl)c(c1)NC(=O)[*:1]
CCOCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl CCOC[*:1] O=C(C[*:1])Nc1cc(ccc1Cl)C(=O)[O-]
CCc1c(C)[nH]c2cc([C@H]3CCN(Cc4ccccc4F)C3)nn2c1=O Fc1ccccc1[*:1] CCc1c(C)[nH]c2cc(nn2c1=O)[C@H]1CCN(C1)C[*:1]
CCc1c(C)[nH]c2cc([C@H]3CCN(Cc4ccccc4F)C3)nn2c1=O Fc1ccccc1C[*:1] CCc1c(C)[nH]c2cc(nn2c1=O)[C@H]1CCN(C1)[*:1]
CC(C)Oc1ccc(CCNC(=O)[C@@H]2CCCN2C(N)=O)cc1 CC(C)[*:1] NC(=O)N1CCC[C@H]1C(=O)NCCc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(CCNC(=O)[C@@H]2CCCN2C(N)=O)cc1 CC(C)O[*:1] NC(=O)N1CCC[C@H]1C(=O)NCCc1ccc(cc1)[*:1]
C=C(Br)CN1CC(C)(C)C1(C)C C=C(Br)[*:1] CC1(C)CN(C[*:1])C1(C)C
C=C(Br)CN1CC(C)(C)C1(C)C C=C(Br)C[*:1] CC1(C)CN(C1(C)C)[*:1]
COc1cccc(CN2CCC[C@@](O)(C[NH2+]C3CCCCCC3)C2=O)c1 COc1cccc(c1)[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]C1CCCCCC1)C[*:1]
COc1cccc(CN2CCC[C@@](O)(C[NH2+]C3CCCCCC3)C2=O)c1 C1CCCC(CC1)[*:1] COc1cccc(c1)CN1CCC[C@@](O)(C[NH2+][*:1])C1=O
COc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c(c1)[*:1]
CC(C)(C)c1ccc(N2CCC(NC(=O)CCC(=O)c3ccc4c(c3)OCCO4)CC2)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C(CCC(=O)c1ccc2OCCOc2c1)NC1CCN(CC1)[*:1]
CC(C)(C)c1ccc(N2CCC(NC(=O)CCC(=O)c3ccc4c(c3)OCCO4)CC2)cc1 CC(C)(C)[*:1] O=C(CCC(=O)c1ccc2OCCOc2c1)NC1CCN(CC1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(N2CCC(NC(=O)CCC(=O)c3ccc4c(c3)OCCO4)CC2)cc1 c1cc2OCCOc2cc1[*:1] CC(C)(C)c1ccc(cc1)N1CCC(CC1)NC(=O)CCC(=O)[*:1]
CCCOc1ccccc1C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1 CCCO[*:1] C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)c1ccccc1[*:1]
CCCOc1ccccc1C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CCCOc1ccccc1C(=O)N(C)[C@@H](C)[C@@H](O)[*:1]
CCCOc1ccccc1C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] CCCOc1ccccc1C(=O)N(C)[C@@H](C)[*:1]
CCCOc1ccccc1C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1 CCC[*:1] C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)c1ccccc1O[*:1]
CC(C)[C@@H](NC(=O)CS[C@@H]1N=NNN1c1ccccc1Cl)C1[NH+]=c2ccccc2=[NH+]1 CC(C)[*:1] O=C(CS[C@@H]1N=NNN1c1ccccc1Cl)N[C@@H](C1[NH+]=c2ccccc2=[NH+]1)[*:1]
CC(C)[C@@H](NC(=O)CS[C@@H]1N=NNN1c1ccccc1Cl)C1[NH+]=c2ccccc2=[NH+]1 Clc1ccccc1[*:1] CC(C)[C@@H](NC(=O)CS[C@@H]1N=NNN1[*:1])C1[NH+]=c2ccccc2=[NH+]1
Cc1ccsc1CNC(=O)N[C@@H]1CCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] Cc1ccsc1CNC(=O)N[C@@H]1CCCC[C@@H]1[*:1]
Cc1ccsc1CNC(=O)N[C@@H]1CCCC[C@H]1C(=O)[O-] Cc1ccsc1[*:1] O=C(NC[*:1])N[C@@H]1CCCC[C@H]1C(=O)[O-]
COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(F)c(F)c2F)CC1=O COc1ccccc1[*:1] O=C(Nc1ccc(F)c(F)c1F)[C@H]1CC(=O)N(C1)[*:1]
C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@@H]1Cc2ccccc2S1 Brc1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)[C@@H]1Cc2ccccc2S1
Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Nc4c(F)cccc4F)cc3C2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc2CCN(Cc2c1)S(=O)(=O)[*:1])Nc1c(F)cccc1F
Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Nc4c(F)cccc4F)cc3C2)cc1 Fc1cccc(F)c1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCc2ccc(cc2C1)NC(=O)N[*:1]
C/[NH+]=C(/NCc1cccc(NC(C)=O)c1)N[C@H]1CC[C@H](SC)C1 CC(=O)N[*:1] C/[NH+]=C(/NCc1cccc(c1)[*:1])N[C@H]1CC[C@@H](C1)SC
COc1ccccc1CC(=O)NC[C@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] COc1ccccc1CC(=O)NC[C@H]1CC[C@H](O1)[*:1]
COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4)sc3n2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)-c1ccc2c(N)c(sc2n1)C(=O)N[*:1]
COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4)sc3n2)c1 COc1cccc(c1)[*:1] Nc1c(sc2nc(ccc12)[*:1])C(=O)Nc1ccc(F)cc1
O=S(=O)(NCCc1ccccn1)c1cc(F)cc(F)c1 c1ccc(nc1)[*:1] O=S(=O)(NCC[*:1])c1cc(F)cc(F)c1
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2noc(C3CC3)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1noc(n1)C1CC1
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2noc(C3CC3)n2)c(C)c1 C1CC1c1nc(no1)[*:1] Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)C[*:1])c(C)c1
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2noc(C3CC3)n2)c(C)c1 C1CC1[*:1] Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2noc(n2)[*:1])c(C)c1
COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc5c(c4)NC(=O)[C@@H](C)S5)CC3)cs2)cc1 COc1ccc(cc1)[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)N1CCN(CC1)Cc1csc(n1)[*:1]
CCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F CCC[*:1] COc1cc2C(=O)N(C)[C@H](c3ccccc3F)[C@H](C(=O)NC[*:1])c2cc1OC
CCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F CCCC[*:1] COc1cc2C(=O)N(C)[C@H](c3ccccc3F)[C@H](C(=O)N[*:1])c2cc1OC
CCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F CCCCNC(=O)[*:1] COc1cc2C(=O)N(C)[C@H](c3ccccc3F)[C@@H](c2cc1OC)[*:1]
CCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CCCCNC(=O)[C@@H]1c2cc(OC)c(cc2C(=O)N(C)[C@H]1[*:1])OC
O=C(NC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1)[*:1]
O=C(NC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C1CCCCC1 O=C(N[*:1])C1CCCCC1 O=S(=O)(c1ccc2OCCc2c1)N1CCC(CC1)[*:1]
O=C(NC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1)C1CCCCC1 c1cc2OCCc2cc1[*:1] O=C(NC1CCN(CC1)S(=O)(=O)[*:1])C1CCCCC1
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC[C@H](O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)NC[C@H](O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC[C@H](O)c2cccc(F)c2)C1 CC(C)(C)[*:1] O=C(NC[C@H](O)c1cccc(F)c1)[C@@H]1CCCN(C1)C(=O)O[*:1]
CCCN[C@@]1(C#N)CC[C@H](N2CCO[C@H]3CCCC[C@@H]32)C1 CCC[*:1] N#C[C@@]1(CC[C@@H](C1)N1CCO[C@H]2CCCC[C@@H]21)N[*:1]
CCCN[C@@]1(C#N)CC[C@H](N2CCO[C@H]3CCCC[C@@H]32)C1 CCCN[*:1] N#C[C@]1(CC[C@@H](C1)N1CCO[C@H]2CCCC[C@@H]21)[*:1]
O=S(=O)(c1cccnc1)N1CC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=S(=O)(c1cccnc1)N1CC[C@H](C1)N[*:1]
O=S(=O)(c1cccnc1)N1CC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=S(=O)(c1cccnc1)N1CC[C@@H](C1)[*:1]
O=S(=O)(c1cccnc1)N1CC[C@@H](Nc2ccccc2)C1 c1cncc(c1)[*:1] O=S(=O)(N1CC[C@H](C1)Nc1ccccc1)[*:1]
Cc1cc(CS(=O)(=O)CC(=O)N[C@@H]2CCCc3ccccc32)on1 Cc1cc(C[*:1])on1 O=C(CS(=O)(=O)[*:1])N[C@@H]1CCCc2ccccc21
Cc1cc(CS(=O)(=O)CC(=O)N[C@@H]2CCCc3ccccc32)on1 Cc1cc(on1)[*:1] O=C(CS(=O)(=O)C[*:1])N[C@@H]1CCCc2ccccc21
Nc1cnn(CC(=O)NCCO)c1 OCC[*:1] Nc1cnn(c1)CC(=O)N[*:1]
CCOc1ccc(Br)cc1CNc1ccccc1C CCO[*:1] Cc1ccccc1NCc1cc(Br)ccc1[*:1]
Cc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 Clc1ccccc1[*:1] Cc1cccc(c1)[C@@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)[*:1]
Cc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 Cc1cccc(c1)[*:1] O=C1C[C@H](C2C(=O)C[C@@H](CC=2N1)c1ccccc1Cl)[*:1]
O=C(CCCn1ccnn1)Nc1cccc(I)c1 c1cn(nn1)[*:1] O=C(CCC[*:1])Nc1cccc(I)c1
O=C(CCCn1ccnn1)Nc1cccc(I)c1 c1cn(C[*:1])nn1 O=C(CC[*:1])Nc1cccc(I)c1
CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)CCl C1CC1[*:1] CC(C)(C)OC(=O)N([C@@H]1CCCC[C@H]1NC(=O)CCl)[*:1]
CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)CCl O=C(CCl)N[*:1] CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1[*:1]
CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)CCl CC(C)(C)[*:1] O=C(CCl)N[C@@H]1CCCC[C@H]1N(C(=O)O[*:1])C1CC1
Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(Br)ccc3n2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)-c1cc(C(=O)NCCC[*:1])c2cc(Br)ccc2n1
Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(Br)ccc3n2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCCN1CCOCC1)c1cc(nc2ccc(Br)cc12)[*:1]
Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(Br)ccc3n2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)-c1cc(C(=O)NCC[*:1])c2cc(Br)ccc2n1
Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(Br)ccc3n2)cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)-c1cc(C(=O)NC[*:1])c2cc(Br)ccc2n1
Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3cc(Br)ccc3n2)cc1 C(CN1CCOCC1)C[*:1] Cc1ccc(cc1)-c1cc(C(=O)N[*:1])c2cc(Br)ccc2n1
CCC([NH3+])(CC)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] CCC([NH3+])(CC)C(=O)Nc1cc(Cl)ccc1[*:1]
CCc1nc2c(s1)[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC2 O=[N+]([O-])[*:1] CCc1nc2CCC[C@@H](N[C@H](C)c3ccc(C)c(c3)[*:1])c2s1
CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3CN(C)CCO3)n2)o1 CC(=O)N[*:1] CN1CCO[C@H](C1)C(=O)Nc1nc(cs1)-c1ccc(C[*:1])o1
CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3CN(C)CCO3)n2)o1 CC(=O)NC[*:1] CN1CCO[C@H](C1)C(=O)Nc1nc(cs1)-c1ccc(o1)[*:1]
O=C(Nc1ccc(F)cc1OCC(F)F)N1CC[C@]2(O)CCCC[C@H]2C1 FC(F)CO[*:1] O=C(Nc1ccc(F)cc1[*:1])N1CC[C@]2(O)CCCC[C@H]2C1
O=C(Nc1ccc(F)cc1OCC(F)F)N1CC[C@]2(O)CCCC[C@H]2C1 FC(F)[*:1] O=C(Nc1ccc(F)cc1OC[*:1])N1CC[C@]2(O)CCCC[C@H]2C1
O=C(Nc1ccc(F)cc1OCC(F)F)N1CC[C@]2(O)CCCC[C@H]2C1 FC(F)C[*:1] O=C(Nc1ccc(F)cc1O[*:1])N1CC[C@]2(O)CCCC[C@H]2C1
CC[C@@H](C)[C@H](C(=O)COC)C(=O)OC COC[*:1] CC[C@@H](C)[C@@H](C(=O)OC)C(=O)[*:1]
CC[C@@H](C)[C@H](C(=O)COC)C(=O)OC CC[C@@H](C)[*:1] COCC(=O)[C@H](C(=O)OC)[*:1]
CC[C@@H](C)[C@H](C(=O)COC)C(=O)OC COC(=O)[*:1] CC[C@@H](C)[C@H](C(=O)COC)[*:1]
CCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn12 CCNC(=O)[*:1] Cc1ccc(cc1)-c1cn2c(n1)sc1cc(ccc12)[*:1]
CCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn12 Cc1ccc(cc1)[*:1] CCNC(=O)c1ccc2c(c1)sc1nc(cn12)[*:1]
[NH3+]Cc1ccc(S(=O)(=O)N(CC2CC2)CC2CC2)c(F)c1 C1CC1C[*:1] [NH3+]Cc1ccc(c(F)c1)S(=O)(=O)N(CC1CC1)[*:1]
[NH3+]Cc1ccc(S(=O)(=O)N(CC2CC2)CC2CC2)c(F)c1 C1CC1[*:1] [NH3+]Cc1ccc(c(F)c1)S(=O)(=O)N(CC1CC1)C[*:1]
CCOc1ccccc1CC(=O)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 CCO[*:1] O=C(Cc1ccccc1[*:1])N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1
CC[C@H](C)C[C@@H](C)NC(=O)CNC1=NS(=O)(=O)c2ccccc21 CC[C@H](C)C[*:1] C[C@@H](NC(=O)CNC1=NS(=O)(=O)c2ccccc21)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)CNC1=NS(=O)(=O)c2ccccc21 CC[C@H](C)[*:1] C[C@H](C[*:1])NC(=O)CNC1=NS(=O)(=O)c2ccccc21
O[C@H]1[C@H](n2cc(-c3ccccc3F)nn2)c2ccccc2C12CC[NH2+]CC2 Fc1ccccc1[*:1] O[C@H]1[C@@H](c2ccccc2C12CC[NH2+]CC2)n1cc(nn1)[*:1]
CC(C)c1noc(CN2C(=O)N[C@@]3(CCSC3)C2=O)n1 CC(C)[*:1] O=C1N[C@@]2(CCSC2)C(=O)N1Cc1nc(no1)[*:1]
COc1ccc(NC(=O)C(=O)N/N=C/c2coc3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] O=C(N/N=C/c1coc2ccccc2c1=O)C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(N)=O)cc1 NC(=O)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H](C)Oc1ccccc1[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(N)=O)cc1 CC(=O)[*:1] C[C@@H](Oc1ccccc1C(N)=O)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] CC[C@@H](C)NC(=O)[*:1] C[C@@H](NC(=O)c1nn(cc1[O-])-c1ccc(F)cc1)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] Fc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nn(cc1[O-])[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] CC[C@@H](C)[*:1] C[C@@H](NC(=O)c1nn(cc1[O-])-c1ccc(F)cc1)C(=O)N[*:1]
CCO[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 CCO[*:1] O=C(c1cc(ccc1Cl)[N+](=O)[O-])N1CCC[C@H](C1)[*:1]
CCO[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 O=[N+]([O-])[*:1] CCO[C@@H]1CCCN(C1)C(=O)c1cc(ccc1Cl)[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 N#CCS[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 N#CC[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)c1cccc(c1)S[*:1]
Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)NC(C)C)CC2)c1 CC(C)NC(=O)N[*:1] Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)CC[*:1]
Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)NC(C)C)CC2)c1 Cc1cccc(c1)[*:1] CC(C)NC(=O)NCCS(=O)(=O)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)NC(C)C)CC2)c1 CC(C)[*:1] Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)CCNC(=O)N[*:1]
Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)NC(C)C)CC2)c1 CC(C)NC(=O)NC[*:1] Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)C[*:1]
O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H]1C[*:1]
O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@H](N1CCC[C@H]1C[C@H](O)c1ccccc1)[*:1]
O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 O=C(NC1CC1)[*:1] O[C@@H](C[C@@H]1CCCN1[C@@H](c1ccccc1)[*:1])c1ccccc1
O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 C1CC1[*:1] O=C(N[*:1])[C@H](c1ccccc1)N1CCC[C@H]1C[C@H](O)c1ccccc1
O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H]1C[C@H](O)[*:1]
O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 O[C@@H](C[*:1])c1ccccc1 O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@@H]1[*:1]
N[C@H](c1cc(F)ccc1[N+](=O)[O-])C(F)(F)F O=[N+]([O-])[*:1] N[C@H](c1cc(F)ccc1[*:1])C(F)(F)F
N[C@H](c1cc(F)ccc1[N+](=O)[O-])C(F)(F)F FC(F)(F)[*:1] N[C@H](c1cc(F)ccc1[N+](=O)[O-])[*:1]
CCOc1ncccc1CNC(=O)NCc1nccc2ccccc12 CCO[*:1] O=C(NCc1cccnc1[*:1])NCc1nccc2ccccc12
CCOc1ccc(CO/N=C(/N)c2ccc(N3CCCCC3)nc2)nc1 C1CCN(CC1)[*:1] CCOc1ccc(CO/N=C(/N)c2ccc(nc2)[*:1])nc1
CCOc1ccc(CO/N=C(/N)c2ccc(N3CCCCC3)nc2)nc1 CCO[*:1] N/C(=N/OCc1ccc(cn1)[*:1])c1ccc(nc1)N1CCCCC1
C[C@@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1c(F)cccc1F CN(C)C(=O)[*:1] C[C@@H]([NH2+]C[C@@H]1CC[C@H](O1)[*:1])c1c(F)cccc1F
C[C@@H](C(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@@H](C(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1)[*:1]
Cn1cc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(N1CCC[C@H]1Cn1ccnc1)[*:1]
Cn1cc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cn1 c1cn(cn1)C[*:1] Cn1cc(cn1)S(=O)(=O)N1CCC[C@@H]1[*:1]
Cn1cc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cn1 c1cn(cn1)[*:1] Cn1cc(cn1)S(=O)(=O)N1CCC[C@H]1C[*:1]
CCOc1cccc(-c2cc(COc3cccc(N)c3)n[nH]2)c1 CCO[*:1] Nc1cccc(c1)OCc1cc([nH]n1)-c1cccc(c1)[*:1]
CCOc1cccc(-c2cc(COc3cccc(N)c3)n[nH]2)c1 Nc1cccc(c1)[*:1] CCOc1cccc(c1)-c1cc(CO[*:1])n[nH]1
COC(=O)c1ccc(NC(=O)CCc2c(F)cccc2F)cc1 COC(=O)[*:1] O=C(CCc1c(F)cccc1F)Nc1ccc(cc1)[*:1]
N#Cc1cccc(/C=C/C(=O)N2CCCCC[C@@H]2c2ccncc2)c1 c1cc(ccn1)[*:1] N#Cc1cccc(/C=C/C(=O)N2CCCCC[C@H]2[*:1])c1
N#Cc1cccc(/C=C/C(=O)N2CCCCC[C@@H]2c2ccncc2)c1 N#Cc1cccc(c1)[*:1] O=C(C=C[*:1])N1CCCCC[C@@H]1c1ccncc1
Cc1ccc(CCC2CCN(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC(CC1)C[*:1]
Cc1ccc(CCC2CCN(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC(CC1)CC[*:1]
NC(=O)CCCOC(=O)[C@H]1C[C@]12CCCc1ccccc12 NC(=O)C[*:1] O=C(OCC[*:1])[C@H]1C[C@]12CCCc1ccccc12
NC(=O)CCCOC(=O)[C@H]1C[C@]12CCCc1ccccc12 NC(=O)[*:1] O=C(OCCC[*:1])[C@H]1C[C@]12CCCc1ccccc12
NC(=O)CCCOC(=O)[C@H]1C[C@]12CCCc1ccccc12 NC(=O)CC[*:1] O=C(OC[*:1])[C@H]1C[C@]12CCCc1ccccc12
NC(=O)CCCOC(=O)[C@H]1C[C@]12CCCc1ccccc12 NC(=O)CCC[*:1] O=C(O[*:1])[C@H]1C[C@]12CCCc1ccccc12
Cc1ccncc1NC(=O)N[C@H](C)COc1ccc(F)cc1 Cc1ccncc1[*:1] C[C@H](COc1ccc(F)cc1)NC(=O)N[*:1]
Cc1ccncc1NC(=O)N[C@H](C)COc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccncc1NC(=O)N[C@H](C)CO[*:1]
COc1ccc([C@@H](NC(=O)Cc2ccc(C)cc2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)CC(=O)N[C@@H](C1CCOCC1)[*:1]
COc1ccc([C@@H](NC(=O)Cc2ccc(C)cc2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)Cc1ccc(C)cc1)[*:1]
COc1ccc([C@@H](NC(=O)Cc2ccc(C)cc2)C2CCOCC2)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H](NC(=O)[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)Cc2ccc(C)cc2)C2CCOCC2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)C[*:1])C1CCOCC1
CC(=O)[C@@H](C)CSc1nnc(COc2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] CC(=O)[C@@H](C)CSc1nnc(CO[*:1])o1
CC(=O)[C@@H](C)CSc1nnc(COc2ccc(F)cc2)o1 CC(=O)[*:1] C[C@@H](CSc1nnc(COc2ccc(F)cc2)o1)[*:1]
CC(=O)N[C@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@@H]1Oc1ccc(C(C)=O)cc1 CC(=O)c1ccc(cc1)[*:1] CC(=O)N[C@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@@H]1O[*:1]
CC(=O)N[C@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@@H]1Oc1ccc(C(C)=O)cc1 CC(=O)N[*:1] CC(=O)c1ccc(cc1)O[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@@H](O)[C@@H]1[*:1]
CC(=O)N[C@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@@H]1Oc1ccc(C(C)=O)cc1 CC(=O)[*:1] CC(=O)N[C@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@@H]1Oc1ccc(cc1)[*:1]
Cc1csc(NC(=O)c2sc(-c3ccccc3F)nc2C)n1 Fc1ccccc1[*:1] Cc1csc(n1)NC(=O)c1sc(nc1C)[*:1]
Cc1csc(NC(=O)c2sc(-c3ccccc3F)nc2C)n1 Cc1csc(n1)[*:1] Cc1nc(sc1C(=O)N[*:1])-c1ccccc1F
C[C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](CCO)C1 OCC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](C1)[*:1]
CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 CS(=O)(=O)C[*:1] CC[C@@H]([NH2+]CC1(CC1)[*:1])c1ccc(Cl)c(Cl)c1
CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 CS(=O)(=O)[*:1] CC[C@@H]([NH2+]CC1(CC1)C[*:1])c1ccc(Cl)c(Cl)c1
Cc1ccccc1-c1cc(NC(=O)c2ccc(N3CCCC3)nc2)n(C)n1 Cc1ccccc1[*:1] Cn1nc(cc1NC(=O)c1ccc(nc1)N1CCCC1)[*:1]
Cc1ccccc1-c1cc(NC(=O)c2ccc(N3CCCC3)nc2)n(C)n1 C1CCN(C1)[*:1] Cc1ccccc1-c1cc(NC(=O)c2ccc(nc2)[*:1])n(C)n1
CC[C@H](C)Sc1nc2cc(Cl)ccc2n1C CC[C@H](C)[*:1] Cn1c(nc2cc(Cl)ccc21)S[*:1]
CC[C@H](C)Sc1nc2cc(Cl)ccc2n1C CC[C@H](C)S[*:1] Cn1c(nc2cc(Cl)ccc21)[*:1]
CCC(=O)[C@H](C)N1CC(=O)N2CCC[C@@H]2C1=O CCC(=O)[*:1] C[C@H](N1CC(=O)N2CCC[C@@H]2C1=O)[*:1]
C#CCOCOCC#CC[NH+]1CCCCC1 C#CC[*:1] C(#CC[NH+]1CCCCC1)COCO[*:1]
C#CCOCOCC#CC[NH+]1CCCCC1 C#CCOC[*:1] C(#CC[NH+]1CCCCC1)CO[*:1]
C#CCOCOCC#CC[NH+]1CCCCC1 C#CCO[*:1] C(#CC[NH+]1CCCCC1)COC[*:1]
CC(C)(C)OC(=O)N1CC(Cc2ccc(C(=O)[O-])cc2)C1 CC(C)(C)[*:1] O=C([O-])c1ccc(cc1)CC1CN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CC(Cc2ccc(C(=O)[O-])cc2)C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CC(Cc2ccc(cc2)[*:1])C1
C[C@H](NC[C@H](c1ccco1)[NH+](C)C)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](NC[C@H](c1ccco1)[NH+](C)C)C(=O)N[*:1]
C[C@H](NC[C@H](c1ccco1)[NH+](C)C)C(=O)Nc1cccc(F)c1 c1coc(c1)[*:1] C[C@H](NC[C@H]([NH+](C)C)[*:1])C(=O)Nc1cccc(F)c1
C[C@H](O)CNC(=O)N[C@H]1CCOC1 C[C@H](O)[*:1] O=C(NC[*:1])N[C@H]1CCOC1
C[C@H](O)CNC(=O)N[C@H]1CCOC1 C[C@H](O)C[*:1] O=C(N[C@H]1CCOC1)N[*:1]
CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)C(=O)NC1CC1
CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 Clc1cccc(c1)C[*:1] CN(C(=O)Nc1cccc(c1)C(=O)NC1CC1)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(c1)[*:1]
COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCn1ncc2c(C(=O)O[C@@H]3C[C@@H](C)OC3=O)cc(-c3cccs3)nc21 c1csc(c1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)O[C@@H]1C[C@@H](C)OC1=O
CCC[NH+]1CCC(Cc2noc(C3CCS(=O)(=O)CC3)n2)CC1 CCC[*:1] O=S1(=O)CCC(CC1)c1nc(CC2CC[NH+](CC2)[*:1])no1
Cc1cccnc1CN1CCN(c2[nH+]ncc3ccccc23)CC1 Cc1cccnc1C[*:1] c1ccc2c([nH+]ncc2c1)N1CCN(CC1)[*:1]
Cc1cccnc1CN1CCN(c2[nH+]ncc3ccccc23)CC1 Cc1cccnc1[*:1] c1ccc2c([nH+]ncc2c1)N1CCN(CC1)C[*:1]
COC[C@H](C)N1CC[NH+](C/C=C/c2ccccc2OC)CC1 COC[C@H](C)[*:1] COc1ccccc1/C=C/C[NH+]1CCN(CC1)[*:1]
COC[C@H](C)N1CC[NH+](C/C=C/c2ccccc2OC)CC1 COC[*:1] COc1ccccc1/C=C/C[NH+]1CCN(CC1)[C@@H](C)[*:1]
CCn1c([C@@H]2C=C(NC(=O)Cc3ccccc3Cl)N=N2)cc2c(OC)cccc21 Clc1ccccc1C[*:1] CCn1c(cc2c(cccc21)OC)[C@@H]1C=C(N=N1)NC(=O)[*:1]
CCn1c([C@@H]2C=C(NC(=O)Cc3ccccc3Cl)N=N2)cc2c(OC)cccc21 Clc1ccccc1[*:1] CCn1c(cc2c(cccc21)OC)[C@@H]1C=C(N=N1)NC(=O)C[*:1]
O=C(OCC1CC1)c1ccc(Cn2cc(Br)cn2)o1 C1CC1C[*:1] O=C(O[*:1])c1ccc(Cn2cc(Br)cn2)o1
O=C(OCC1CC1)c1ccc(Cn2cc(Br)cn2)o1 C1CC1[*:1] O=C(OC[*:1])c1ccc(Cn2cc(Br)cn2)o1
O=C(OCC1CC1)c1ccc(Cn2cc(Br)cn2)o1 Brc1cnn(c1)[*:1] O=C(OCC1CC1)c1ccc(C[*:1])o1
O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)[C@H]1Cc2ccccc2O1 O=C(N1CCOCC1)[*:1] O=C(Nc1c(oc2ccccc12)[*:1])[C@H]1Cc2ccccc2O1
C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O C=CC[*:1] C[C@H]([NH2+][C@@H]1CCCN(C1=O)c1ccn(C)n1)[C@H](C)[*:1]
C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O Cn1ccc(n1)[*:1] C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCN(C1=O)[*:1]
C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O C=CC[C@@H](C)[*:1] C[C@H]([NH2+][C@@H]1CCCN(C1=O)c1ccn(C)n1)[*:1]
CCOCCNC(=O)NCCc1cc(Cl)cc(Cl)c1 CCO[*:1] O=C(NCCc1cc(Cl)cc(Cl)c1)NCC[*:1]
CCOCCNC(=O)NCCc1cc(Cl)cc(Cl)c1 CCOCC[*:1] O=C(NCCc1cc(Cl)cc(Cl)c1)N[*:1]
CCOCCNC(=O)NCCc1cc(Cl)cc(Cl)c1 CCOC[*:1] O=C(NCCc1cc(Cl)cc(Cl)c1)NC[*:1]
CS[C@H](CO)[C@H](C)Nc1cccc(F)c1C(C)=O CC(=O)[*:1] CS[C@H](CO)[C@H](C)Nc1cccc(F)c1[*:1]
C[C@H](CNc1snc(Cl)c1C#N)[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](CNc1snc(Cl)c1C#N)[NH+]1CCN(CC1)[*:1]
C[C@H](CNc1snc(Cl)c1C#N)[NH+]1CCN(c2ccccc2)CC1 N#Cc1c(Cl)nsc1[*:1] C[C@H](CN[*:1])[NH+]1CCN(CC1)c1ccccc1
CCCCNc1ncnc(N)c1[N+](=O)[O-] CCCCN[*:1] Nc1ncnc(c1[N+](=O)[O-])[*:1]
CCCCNc1ncnc(N)c1[N+](=O)[O-] CCC[*:1] Nc1ncnc(NC[*:1])c1[N+](=O)[O-]
CCCCNc1ncnc(N)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCCNc1ncnc(N)c1[*:1]
CCCCNc1ncnc(N)c1[N+](=O)[O-] CCCC[*:1] Nc1ncnc(N[*:1])c1[N+](=O)[O-]
C[NH+]1CCN(CCc2ccc(NCC(C)(C)C)cc2)CC1 CC(C)(C)C[*:1] C[NH+]1CCN(CCc2ccc(cc2)N[*:1])CC1
C[NH+]1CCN(CCc2ccc(NCC(C)(C)C)cc2)CC1 CC(C)(C)CN[*:1] C[NH+]1CCN(CCc2ccc(cc2)[*:1])CC1
C[NH+]1CCN(CCc2ccc(NCC(C)(C)C)cc2)CC1 CC(C)(C)[*:1] C[NH+]1CCN(CCc2ccc(cc2)NC[*:1])CC1
O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1ccccc1F O=[N+]([O-])[*:1] O=C(NNc1ncnc(c1[*:1])N1CCN(CC1)c1ccccc1F)c1ccccc1F
O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1ccccc1F O=C(NN[*:1])c1ccccc1F O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1ccccc1F
O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1ccccc1F Fc1ccccc1[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])N1CCN(CC1)[*:1])c1ccccc1F
O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1ccccc1F Fc1ccccc1[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])N1CCN(CC1)c1ccccc1F)[*:1]
COc1ncnc(N[C@@H](C)c2cccc(F)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ncnc(N[C@@H](C)c2cccc(F)c2)c1[*:1]
COc1ncnc(N[C@@H](C)c2cccc(F)c2)c1[N+](=O)[O-] Fc1cccc(c1)[*:1] COc1ncnc(N[C@@H](C)[*:1])c1[N+](=O)[O-]
CC(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)[*:1]
CC(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CC(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)[NH2+][*:1]
CC(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 CC(=O)N1CSC[C@H]1[*:1] C[C@H]([NH2+]C(C)(C)CNC(=O)[*:1])c1ccccc1
C[NH2+][C@@H](c1ccn(Cc2cccc(C)n2)c1)C(C)C CC(C)[*:1] C[NH2+][C@@H](c1ccn(c1)Cc1cccc(C)n1)[*:1]
CC(C)[C@@H](C)NC(=O)N(C)CC(=O)N1CCOCC1 CC(C)[C@@H](C)[*:1] CN(CC(=O)N1CCOCC1)C(=O)N[*:1]
CC(C)[C@@H](C)NC(=O)N(C)CC(=O)N1CCOCC1 CC(C)[*:1] C[C@@H](NC(=O)N(C)CC(=O)N1CCOCC1)[*:1]
C[NH+](CC1(c2ccc(Br)cc2)CC1)C1CCN(C(N)=O)CC1 Brc1ccc(cc1)[*:1] C[NH+](CC1(CC1)[*:1])C1CCN(CC1)C(N)=O
N#C[C@@H]1CCC[C@H]1[NH2+]CCCC(=O)NC1CC1 C1CC1[*:1] N#C[C@@H]1CCC[C@H]1[NH2+]CCCC(=O)N[*:1]
CCOc1ncccc1C(=O)N[C@@H](C)c1c(C)noc1C CCO[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1cccnc1[*:1]
CCOc1ncccc1C(=O)N[C@@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] CCOc1ncccc1C(=O)N[C@@H](C)[*:1]
COc1ccc(C/[NH+]=C/c2cccn2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)C/[NH+]=C/c1cccn1[*:1]
CC1CCN(C(=O)[C@@H](C)O/N=C(/N)c2ccc(N3CCCCC3)nc2)CC1 C1CCN(CC1)[*:1] CC1CCN(CC1)C(=O)[C@@H](C)O/N=C(/N)c1ccc(nc1)[*:1]
CC1CCN(C(=O)[C@@H](C)O/N=C(/N)c2ccc(N3CCCCC3)nc2)CC1 CC1CCN(CC1)C(=O)[*:1] C[C@@H](O/N=C(/N)c1ccc(nc1)N1CCCCC1)[*:1]
Cc1ccc(CCC(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)CC[*:1]
Cc1ccc(CCC(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)CCC(=O)N1CCN(CC1)[C@H](C)[*:1]
Cc1ccc(CCC(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1 Cc1ccc(cc1)C[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)C[*:1]
CN(CCCCNC(=O)c1cccc2cc[nH]c12)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCCNC(=O)c1cccc2cc[nH]c12)[*:1]
CN(CCCCNC(=O)c1cccc2cc[nH]c12)c1ccccc1 CN(c1ccccc1)[*:1] O=C(NCCCC[*:1])c1cccc2cc[nH]c12
CCO[C@H]1C[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C12CCC2 CCO[*:1] O=C(NC1CCN(CC1)c1cccc[nH+]1)N[C@H]1C[C@@H](C12CCC2)[*:1]
CNC(=O)c1cccc(NC(=O)COC(=O)c2cccc(OC)c2)c1 CNC(=O)[*:1] COc1cccc(c1)C(=O)OCC(=O)Nc1cccc(c1)[*:1]
CNC(=O)c1cccc(NC(=O)COC(=O)c2cccc(OC)c2)c1 COc1cccc(c1)[*:1] CNC(=O)c1cccc(c1)NC(=O)COC(=O)[*:1]
COC(=O)[C@H]1CN(c2cncc(OC(C)C)n2)C[C@H]1C CC(C)[*:1] COC(=O)[C@H]1CN(C[C@H]1C)c1cncc(n1)O[*:1]
COC(=O)[C@H]1CN(c2cncc(OC(C)C)n2)C[C@H]1C CC(C)O[*:1] COC(=O)[C@H]1CN(C[C@H]1C)c1cncc(n1)[*:1]
COC(=O)[C@H]1CN(c2cncc(OC(C)C)n2)C[C@H]1C COC(=O)[*:1] CC(C)Oc1cncc(n1)N1C[C@@H](C)[C@H](C1)[*:1]
CC(=O)c1cccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)c1 c1ccc(nc1)[*:1] CC(=O)c1cccc(c1)C[NH2+][C@H]1CCCc2c1cnn2[*:1]
CC(=O)c1cccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)c1 CC(=O)[*:1] c1ccc(nc1)-n1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(c1)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)N[C@@H](C)CO C[C@@H](CO)[*:1] CC[C@@H](C)C[C@@H](C)NC(=O)N[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)N[C@@H](C)CO CC[C@@H](C)[*:1] C[C@@H](CO)NC(=O)N[C@H](C)C[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)N[C@@H](C)CO CC[C@@H](C)C[*:1] C[C@@H](CO)NC(=O)N[C@H](C)[*:1]
COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC(=O)C(=O)N[*:1]
Cc1cc(C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1ccc(cc1C)S(=O)(=O)NNC(=O)[*:1]
C[C@@H]1CN(C(=O)CCNC(=O)c2cc(-c3ccccc3)on2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CCNC(=O)c1cc(on1)[*:1]
CN(C(=O)C[S@](=O)c1cccc(F)c1)C1CC1 C1CC1[*:1] CN(C(=O)C[S@](=O)c1cccc(F)c1)[*:1]
Cc1ccccc1SCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 c1coc(c1)[*:1] Cc1ccccc1SCC(=O)N1N=C(C[C@@H]1[*:1])c1ccco1
Cc1ccccc1SCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 Cc1ccccc1S[*:1] O=C(C[*:1])N1N=C(C[C@H]1c1ccco1)c1ccco1
Cc1ccccc1SCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 Cc1ccccc1[*:1] O=C(CS[*:1])N1N=C(C[C@H]1c1ccco1)c1ccco1
Cc1ccccc1SCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 c1coc(c1)[*:1] Cc1ccccc1SCC(=O)N1N=C(C[C@H]1c1ccco1)[*:1]
CC[C@@H](C)[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 CC[C@@H](C)[*:1] Cc1cc(ccc1N1CCCC1=O)NC(=O)[C@@H](c1ccccc1)[*:1]
CC[C@@H](C)[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 O=C1CCCN1[*:1] CC[C@@H](C)[C@@H](C(=O)Nc1ccc(c(C)c1)[*:1])c1ccccc1
CC[C@@H](C)[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](C(=O)Nc1ccc(c(C)c1)N1CCCC1=O)[*:1]
COc1cc(NS(=O)(=O)c2cccc(C(C)=O)c2)cc(OC)c1OC CC(=O)[*:1] COc1cc(cc(OC)c1OC)NS(=O)(=O)c1cccc(c1)[*:1]
CC(=O)c1ccc(NC(=O)NCCCOC2CCOCC2)cc1C C1CC(CCO1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)NCCCO[*:1]
CC(=O)c1ccc(NC(=O)NCCCOC2CCOCC2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NCCCOC1CCOCC1
CC(=O)c1ccc(NC(=O)NCCCOC2CCOCC2)cc1C C1CC(CCO1)OC[*:1] CC(=O)c1ccc(cc1C)NC(=O)NCC[*:1]
CC(=O)c1ccc(NC(=O)NCCCOC2CCOCC2)cc1C C1CC(CCO1)O[*:1] CC(=O)c1ccc(cc1C)NC(=O)NCCC[*:1]
N#CCCCCO[C@H]1CCC[C@H]([NH3+])C1 N#CCC[*:1] [NH3+][C@H]1CCC[C@@H](C1)OCC[*:1]
N#CCCCCO[C@H]1CCC[C@H]([NH3+])C1 N#CC[*:1] [NH3+][C@H]1CCC[C@@H](C1)OCCC[*:1]
Cc1ccc(C(=O)O[C@H](C)C(=O)NC2CC2)c(C)c1 C1CC1[*:1] Cc1ccc(C(=O)O[C@H](C)C(=O)N[*:1])c(C)c1
Cc1ccc(C(=O)O[C@H](C)C(=O)NC2CC2)c(C)c1 O=C(NC1CC1)[*:1] Cc1ccc(C(=O)O[C@H](C)[*:1])c(C)c1
O=C(CN1CCO[C@H](c2cccc(F)c2)C1)NCc1cccc(Cl)c1 Fc1cccc(c1)[*:1] O=C(CN1CCO[C@H](C1)[*:1])NCc1cccc(Cl)c1
O=C(CN1CCO[C@H](c2cccc(F)c2)C1)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CN1CCO[C@@H](C1)c1cccc(F)c1)NC[*:1]
O=C(CN1CCO[C@H](c2cccc(F)c2)C1)NCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C(CN1CCO[C@@H](C1)c1cccc(F)c1)N[*:1]
CC(C)CCN1C(=O)C(=O)c2cc(Br)cc(F)c21 CC(C)C[*:1] O=C1C(=O)N(C[*:1])c2c(F)cc(Br)cc21
CC(C)CCN1C(=O)C(=O)c2cc(Br)cc(F)c21 CC(C)CC[*:1] O=C1C(=O)N(c2c(F)cc(Br)cc21)[*:1]
CC(C)CCN1C(=O)C(=O)c2cc(Br)cc(F)c21 CC(C)[*:1] O=C1C(=O)N(CC[*:1])c2c(F)cc(Br)cc21
Cc1cc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ncn1 Cc1cc(ncn1)[*:1] O=C(CCS[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
Cc1cc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ncn1 Cc1cc(ncn1)SC[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
Cc1cc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ncn1 O=S(=O)(N1CCCCC1)[*:1] Cc1cc(ncn1)SCCC(=O)Nc1ccc(cc1)[*:1]
Cc1cc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ncn1 Cc1cc(ncn1)S[*:1] O=C(CC[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
O=C(Nc1ccc(-c2csnn2)cc1)Nc1cc(Cl)nc(Cl)c1 c1snnc1[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1cc(Cl)nc(Cl)c1
O=C(CNC(=O)c1ccccc1)Nc1cccc(N2CCCCC2=O)c1 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])Nc1cccc(c1)N1CCCCC1=O
O=C(CNC(=O)c1ccccc1)Nc1cccc(N2CCCCC2=O)c1 O=C1CCCCN1[*:1] O=C(CNC(=O)c1ccccc1)Nc1cccc(c1)[*:1]
CC1CCN(S(=O)(=O)c2ccc3c(ccn3CC(=O)NCc3ccco3)c2)CC1 O=C(NCc1ccco1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2c(ccn2C[*:1])c1
CC1CCN(S(=O)(=O)c2ccc3c(ccn3CC(=O)NCc3ccco3)c2)CC1 c1coc(c1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2c(ccn2CC(=O)NC[*:1])c1
CC1CCN(S(=O)(=O)c2ccc3c(ccn3CC(=O)NCc3ccco3)c2)CC1 c1coc(c1)C[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2c(ccn2CC(=O)N[*:1])c1
COc1cccc([C@H]2C(C#N)=C(N)N3C(=O)CCSC3=C2C#N)c1 COc1cccc(c1)[*:1] N#CC1=C(N)N2C(=O)CCSC2=C(C#N)[C@H]1[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)Cc2ccc[nH]2)s1 c1c[nH]c(c1)[*:1] Cc1nc(C)c(s1)[C@@H](C)N(C)C(=O)C[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)Cc2ccc[nH]2)s1 c1c[nH]c(c1)C[*:1] Cc1nc(C)c(s1)[C@@H](C)N(C)C(=O)[*:1]
C[C@H](CNC(=O)NC[C@@H]1CCC[C@H](O)C1)c1ccc(F)c(F)c1 O[C@H]1CCC[C@H](C1)[*:1] C[C@H](CNC(=O)NC[*:1])c1ccc(F)c(F)c1
C[C@H]1CCc2c(sc(NC(=O)c3ccc(C(F)(F)F)cc3)c2C#N)C1 FC(F)(F)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)[*:1])c2C#N
CCOc1cc(CNC(=O)NCC(=O)Nc2cccc(F)c2)ccn1 CCO[*:1] O=C(CNC(=O)NCc1ccnc(c1)[*:1])Nc1cccc(F)c1
CCOc1cc(CNC(=O)NCC(=O)Nc2cccc(F)c2)ccn1 Fc1cccc(c1)[*:1] CCOc1cc(ccn1)CNC(=O)NCC(=O)N[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)C(C)C Cc1ccccc1C(=O)N[*:1] CC(C)[C@H](C(=O)N1CCC[C@@H](C1)c1nnc2CCCCCn21)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCC[C@@H](C1)c1nnc2CCCCCn21
Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)C(C)C C1CCc2nnc(n2CC1)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[C@H](C1)[*:1])C(C)C
Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[C@@H](C1)c1nnc2CCCCCn21)[*:1]
CN(CCNS(C)(=O)=O)Cc1ccccc1C#N CS(=O)(=O)N[*:1] CN(CC[*:1])Cc1ccccc1C#N
CN(CCNS(C)(=O)=O)Cc1ccccc1C#N CS(=O)(=O)NC[*:1] CN(Cc1ccccc1C#N)C[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)nn2)C1 Clc1ccc(nn1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C[*:1])C1
CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)nn2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C[NH2+]Cc2ccc(Cl)nn2)C1
CCn1c(=O)n(CCC(=O)Nc2nc(C)c(-c3nc4ccccc4n3C(F)F)s2)c2ccccc21 FC(F)[*:1] CCn1c(=O)n(CCC(=O)Nc2nc(C)c(s2)-c2nc3ccccc3n2[*:1])c2ccccc21
COC[C@H](NC(=O)c1cc(OC)c(OC)cc1C)c1ccco1 c1coc(c1)[*:1] COC[C@H](NC(=O)c1cc(OC)c(cc1C)OC)[*:1]
COC[C@H](NC(=O)c1cc(OC)c(OC)cc1C)c1ccco1 COC[*:1] COc1cc(C)c(cc1OC)C(=O)N[C@H](c1ccco1)[*:1]
CCN1C(=O)[C@H](CC(=O)Nc2cccc(Br)c2)N(NC(=O)c2ccccc2)C1=S Brc1cccc(c1)[*:1] CCN1C(=O)[C@H](CC(=O)N[*:1])N(NC(=O)c2ccccc2)C1=S
CCN1C(=O)[C@H](CC(=O)Nc2cccc(Br)c2)N(NC(=O)c2ccccc2)C1=S c1ccc(cc1)[*:1] CCN1C(=O)[C@H](CC(=O)Nc2cccc(Br)c2)N(NC(=O)[*:1])C1=S
C[C@H](CCl)CS(=O)(=O)N(CC1CC1)C1CC1 C1CC1[*:1] C[C@H](CCl)CS(=O)(=O)N(C[*:1])C1CC1
C[C@H](CCl)CS(=O)(=O)N(CC1CC1)C1CC1 C1CC1[*:1] C[C@H](CCl)CS(=O)(=O)N(CC1CC1)[*:1]
C[C@H](CCl)CS(=O)(=O)N(CC1CC1)C1CC1 C[C@H](CCl)[*:1] O=S(=O)(C[*:1])N(CC1CC1)C1CC1
C[C@H](CCl)CS(=O)(=O)N(CC1CC1)C1CC1 C1CC1C[*:1] C[C@H](CCl)CS(=O)(=O)N(C1CC1)[*:1]
C[C@H]1CC(C(=O)N2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 CN(C)C(=O)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC[C@H]1[*:1]
C[C@@H](CCc1ccccc1)[NH2+]C[C@]1(O)CCOC1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])[NH2+]C[C@]1(O)CCOC1
Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)C(C)C)cc2c1 c1cncc(c1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)[*:1])C(C)C
Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)C(C)C)cc2c1 CC(C)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)c1cccnc1)[*:1]
CS[C@H]1CC[C@@H](NC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)C1 Cc1cc(C)nc(n1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)Cc1c(C)nn(c1C)[*:1]
CCCCN(CCO)C(=O)Nc1cc(C)ccc1C CCCC[*:1] Cc1ccc(C)c(c1)NC(=O)N(CCO)[*:1]
CCCCN(CCO)C(=O)Nc1cc(C)ccc1C OCC[*:1] CCCCN(C(=O)Nc1cc(C)ccc1C)[*:1]
CCCCN(CCO)C(=O)Nc1cc(C)ccc1C CCC[*:1] Cc1ccc(C)c(c1)NC(=O)N(CCO)C[*:1]
NC(=O)c1ccc(/C=C/C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N(Cc1ccncc1)C[C@H]1CCCO1
NC(=O)c1ccc(/C=C/C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(C=C[*:1])N(Cc1ccncc1)C[C@H]1CCCO1
NC(=O)c1ccc(/C=C/C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)cc1 c1cc(ccn1)[*:1] NC(=O)c1ccc(/C=C/C(=O)N(C[C@H]2CCCO2)C[*:1])cc1
NC(=O)c1ccc(/C=C/C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)cc1 c1cc(ccn1)C[*:1] NC(=O)c1ccc(/C=C/C(=O)N(C[C@H]2CCCO2)[*:1])cc1
CCS[C@H]1CCCC[C@H]1NC(=O)NCC(=O)N1CCc2ccccc21 CCS[*:1] O=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1CCCC[C@@H]1[*:1]
CCc1noc(CS(=O)(=O)[C@H](C)C(=O)Nc2cccc(C)c2)n1 CCc1noc(n1)[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)S(=O)(=O)C[*:1]
CCc1noc(CS(=O)(=O)[C@H](C)C(=O)Nc2cccc(C)c2)n1 Cc1cccc(c1)[*:1] CCc1noc(CS(=O)(=O)[C@H](C)C(=O)N[*:1])n1
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])Nc1ccc(F)cc1
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1 CC(C)[*:1] O=C(COc1ccc(Br)cc1F)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1 Fc1cc(Br)ccc1[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)CO[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1 CC(C)NS(=O)(=O)[*:1] O=C(COc1ccc(Br)cc1F)Nc1ccc(cc1)[*:1]
Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)CC[*:1]
Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)CCc1ccc(F)cc1 Cc1noc(C)c1[*:1] C[C@H](C[NH2+][C@H](C)CCc1ccc(F)cc1)[*:1]
CCOc1ccccc1[C@@H](O)[C@@H](C)c1ccccn1 CCO[*:1] C[C@@H](c1ccccn1)[C@H](O)c1ccccc1[*:1]
CCOc1ccccc1[C@@H](O)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] CCOc1ccccc1[C@@H](O)[C@@H](C)[*:1]
CCOC(=O)CNC(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CCOC(=O)CNC(=O)c1cnc(s1)[*:1]
CCOC(=O)CNC(=O)c1cnc([C@@H]2CCCO2)s1 CCOC(=O)C[*:1] O=C(N[*:1])c1cnc(s1)[C@@H]1CCCO1
CCOC(=O)CNC(=O)c1cnc([C@@H]2CCCO2)s1 CCOC(=O)[*:1] O=C(NC[*:1])c1cnc(s1)[C@@H]1CCCO1
C=CCOc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 C=CCO[*:1] CS(=O)(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
C=CCOc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 C=CC[*:1] CS(=O)(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)O[*:1]
C=CCOc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 CS(=O)(=O)N[*:1] C=CCOc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
C/C(=C\C(=O)c1cccnc1)Nc1ccc(Oc2ccccc2)cc1 O=C(c1cccnc1)[*:1] CC(=C[*:1])Nc1ccc(cc1)Oc1ccccc1
C/C(=C\C(=O)c1cccnc1)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] C/C(=C\C(=O)c1cccnc1)Nc1ccc(cc1)O[*:1]
C/C(=C\C(=O)c1cccnc1)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] C/C(=C\C(=O)c1cccnc1)Nc1ccc(cc1)[*:1]
C/C(=C\C(=O)c1cccnc1)Nc1ccc(Oc2ccccc2)cc1 c1cncc(c1)[*:1] C/C(=C\C(=O)[*:1])Nc1ccc(cc1)Oc1ccccc1
CCOC(=O)C1(C)CCN(S(=O)(=O)c2ccc(C)cc2Cl)CC1 CCOC(=O)[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)N1CCC(C)(CC1)[*:1]
Cn1cnnc1[C@H]1CCCN(C(=O)NCCc2ccccn2)C1 c1ccc(nc1)[*:1] Cn1cnnc1[C@H]1CCCN(C1)C(=O)NCC[*:1]
Cn1cnnc1[C@H]1CCCN(C(=O)NCCc2ccccn2)C1 Cn1cnnc1[*:1] O=C(NCCc1ccccn1)N1CCC[C@@H](C1)[*:1]
Cn1cnnc1[C@H]1CCCN(C(=O)NCCc2ccccn2)C1 c1ccc(C[*:1])nc1 Cn1cnnc1[C@H]1CCCN(C1)C(=O)NC[*:1]
CC[NH2+][C@H](COC(C)C)C1CCCCC1 CC(C)[*:1] CC[NH2+][C@H](CO[*:1])C1CCCCC1
CC[NH2+][C@H](COC(C)C)C1CCCCC1 CC(C)O[*:1] CC[NH2+][C@H](C[*:1])C1CCCCC1
CC[NH2+][C@H](COC(C)C)C1CCCCC1 CC(C)OC[*:1] CC[NH2+][C@H](C1CCCCC1)[*:1]
Cn1/c(=N/C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2cccc(F)c21 O=[N+]([O-])[*:1] Cn1/c(=N/C(=O)c2cc(cc(c2)[*:1])[N+](=O)[O-])sc2cccc(F)c21
COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OC c1ccc(cc1)[*:1] COc1cc(cc(Br)c1OC)C[NH2+][C@@H](C)[*:1]
C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1cnc2c(cnn2-c2ccc(F)cc2)c1=O c1ccc(cc1)C[*:1] C[C@@H](C(=O)N1CCC(CC1)[*:1])n1cnc2c(cnn2-c2ccc(F)cc2)c1=O
C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1cnc2c(cnn2-c2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCC(CC1)Cc1ccccc1)n1cnc2c(cnn2[*:1])c1=O
C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1cnc2c(cnn2-c2ccc(F)cc2)c1=O c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCC(CC1)C[*:1])n1cnc2c(cnn2-c2ccc(F)cc2)c1=O
COc1ccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)[*:1]
CC(C)NC(=O)N1CCc2cnc(N(C)C)nc2C1 CC(C)[*:1] CN(C)c1ncc2CCN(Cc2n1)C(=O)N[*:1]
CC(C)NC(=O)N1CCc2cnc(N(C)C)nc2C1 CN(C)[*:1] CC(C)NC(=O)N1CCc2cnc(nc2C1)[*:1]
CCc1nn(C)cc1C(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O CCc1nn(C)cc1[*:1] O=C1CCCC[C@@H]1[C@H]1CCCCCN1C(=O)[*:1]
CCc1nn(C)cc1C(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O O=C1CCCC[C@@H]1[*:1] CCc1nn(C)cc1C(=O)N1CCCCC[C@H]1[*:1]
CCCC[C@H]1C[C@@H]([NH3+])CCN1CC CCCC[*:1] CCN1CC[C@H]([NH3+])C[C@@H]1[*:1]
CCCC[C@H]1C[C@@H]([NH3+])CCN1CC CCC[*:1] CCN1CC[C@H]([NH3+])C[C@@H]1C[*:1]
NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(c1)[*:1]
NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(-c2ccoc2)c1 NC(=O)[*:1] O=C(Nc1c(oc2ccccc12)[*:1])c1cccc(c1)-c1ccoc1
COCCCC(=O)Nc1ccc(C[NH3+])c(C(F)(F)F)c1 FC(F)(F)[*:1] COCCCC(=O)Nc1ccc(C[NH3+])c(c1)[*:1]
COCCCC(=O)Nc1ccc(C[NH3+])c(C(F)(F)F)c1 COC[*:1] [NH3+]Cc1ccc(cc1C(F)(F)F)NC(=O)CC[*:1]
COCCCC(=O)Nc1ccc(C[NH3+])c(C(F)(F)F)c1 COCCC[*:1] [NH3+]Cc1ccc(cc1C(F)(F)F)NC(=O)[*:1]
COCCCC(=O)Nc1ccc(C[NH3+])c(C(F)(F)F)c1 COCC[*:1] [NH3+]Cc1ccc(cc1C(F)(F)F)NC(=O)C[*:1]
Cn1ncc(C(N)=S)c1NC(=O)Nc1cc(Cl)ccc1Cl NC(=S)[*:1] Cn1ncc(c1NC(=O)Nc1cc(Cl)ccc1Cl)[*:1]
CCC(=O)N1CCC([NH2+][C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 FC(F)(F)[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@H]1CC(=O)N(C1)C[*:1]
CCC(=O)N1CCC([NH2+][C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 FC(F)(F)C[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@H]1CC(=O)N(C1)[*:1]
Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2c(C)nc3sccn23)C1 Cc1cc(Cl)ccc1[*:1] Cc1nc2sccn2c1CN1CCC[C@@H](C1)C(=O)[*:1]
O=C(NCc1ccc(Cl)nc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 Clc1ccc(cn1)[*:1] O=C(NC[*:1])N[C@H]1CCC[C@@H](C1)C(F)(F)F
O=C(NCc1ccc(Cl)nc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCc1ccc(Cl)nc1)N[C@H]1CCC[C@H](C1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccc2OCOc2c1)[C@@H]1CCCN1C(=O)N[*:1]
CC(C)n1c[nH+]cc1[C@@H](N)CO N[C@@H](CO)[*:1] CC(C)n1c[nH+]cc1[*:1]
CC(C)n1c[nH+]cc1[C@@H](N)CO CC(C)[*:1] N[C@@H](CO)c1c[nH+]cn1[*:1]
CCc1ccc([C@H]2CC(=O)C3=C(C2)N=C(C(=O)OCCOC)[C@H]3C)cc1 COC[*:1] CCc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)N=C(C(=O)OC[*:1])[C@H]2C
CCc1ccc([C@H]2CC(=O)C3=C(C2)N=C(C(=O)OCCOC)[C@H]3C)cc1 CCc1ccc(cc1)[*:1] COCCOC(=O)C1=NC2C[C@H](CC(=O)C=2[C@@H]1C)[*:1]
CCc1ccc([C@H]2CC(=O)C3=C(C2)N=C(C(=O)OCCOC)[C@H]3C)cc1 COCC[*:1] CCc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)N=C(C(=O)O[*:1])[C@H]2C
O=S(=O)(c1cccs1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=S(=O)(c1cccs1)N1CCN(CC1)Cc1cccc(c1)[*:1]
O=S(=O)(c1cccs1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 c1csc(c1)[*:1] O=S(=O)(N1CCN(CC1)Cc1cccc(c1)C(F)(F)F)[*:1]
Cc1noc(CC[NH2+][C@H]2C[C@@H](c3ccccc3)C[C@@H](C)C2)n1 Cc1noc(n1)[*:1] C[C@@H]1C[C@@H](C[C@@H](C1)[NH2+]CC[*:1])c1ccccc1
Cc1noc(CC[NH2+][C@H]2C[C@@H](c3ccccc3)C[C@@H](C)C2)n1 Cc1noc(C[*:1])n1 C[C@@H]1C[C@@H](C[C@@H](C1)[NH2+]C[*:1])c1ccccc1
Cc1noc(CC[NH2+][C@H]2C[C@@H](c3ccccc3)C[C@@H](C)C2)n1 c1ccc(cc1)[*:1] Cc1noc(CC[NH2+][C@H]2C[C@@H](C[C@@H](C)C2)[*:1])n1
CCn1c(CCC(=O)Nc2cc(Cl)ccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] CCn1c(CCC(=O)Nc2cc(Cl)ccc2C)nc2cc(ccc21)[*:1]
CCn1c(CCC(=O)Nc2cc(Cl)ccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 Cc1ccc(Cl)cc1[*:1] CCn1c(CCC(=O)N[*:1])nc2cc(ccc21)S(=O)(=O)N(C)C
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 c1csc(c1)[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnc(n1C[C@H]1CCCO1)[*:1]
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 C[C@@H]1CCCCN1C(=O)[*:1] c1csc(c1)-c1nnc(SC[*:1])n1C[C@H]1CCCO1
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)n1C[*:1]
C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)n1[*:1]
CC[C@@H](CO)NC(=O)NC[C@H](C)Sc1ccccc1 CC[C@@H](CO)[*:1] C[C@@H](CNC(=O)N[*:1])Sc1ccccc1
CC[C@@H](CO)NC(=O)NC[C@H](C)Sc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CO)NC(=O)NC[C@H](C)S[*:1]
CCCCC1CCC(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)CC1 CCC[*:1] CC(=O)Nc1cccc(c1)NC(=O)C(=O)NC1CCC(CC1)C[*:1]
CCCCC1CCC(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)CC1 CC(=O)N[*:1] CCCCC1CCC(CC1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CCCCC1CCC(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)CC1 CCCC[*:1] CC(=O)Nc1cccc(c1)NC(=O)C(=O)NC1CCC(CC1)[*:1]
O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)Nc1nc(cs1)[*:1]
CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@@H](Cn1nc2CCCCCc2cc1=O)NC(=O)C[*:1]
CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CC[C@@H](Cn1nc2CCCCCc2cc1=O)NC(=O)[*:1]
COc1cccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)-c1ccc(C[NH2+]C[*:1])o1
COc1cccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)c1 c1cc(ccn1)C[*:1] COc1cccc(c1)-c1ccc(C[NH2+][*:1])o1
CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N1CC[C@](O)(C1)[*:1]
Cc1cc(CN[C@H](C(=O)N2CCCC2)C(C)C)ccc1Oc1cccnc1 c1cncc(c1)[*:1] Cc1cc(ccc1O[*:1])CN[C@H](C(=O)N1CCCC1)C(C)C
Cc1cc(CN[C@H](C(=O)N2CCCC2)C(C)C)ccc1Oc1cccnc1 c1cncc(c1)O[*:1] Cc1cc(ccc1[*:1])CN[C@H](C(=O)N1CCCC1)C(C)C
Cc1cc(CN[C@H](C(=O)N2CCCC2)C(C)C)ccc1Oc1cccnc1 CC(C)[*:1] Cc1cc(ccc1Oc1cccnc1)CN[C@H](C(=O)N1CCCC1)[*:1]
Cc1cc(CN[C@H](C(=O)N2CCCC2)C(C)C)ccc1Oc1cccnc1 O=C(N1CCCC1)[*:1] Cc1cc(ccc1Oc1cccnc1)CN[C@H](C(C)C)[*:1]
COc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)C3=C[C@@H]4N=CC=C4C=C3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)C1C=CC2=CC=N[C@H]2C=1
COc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)C3=C[C@@H]4N=CC=C4C=C3)C2)cc1 COc1ccc(cc1)CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)C1C=CC2=CC=N[C@H]2C=1
COc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)C3=C[C@@H]4N=CC=C4C=C3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)C(=O)C1C=CC2=CC=N[C@H]2C=1
CC(C)[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1nc(-c2nc[nH]n2)no1 CC(C)[*:1] C[C@H]1OCC[C@H]1[NH2+][C@@H](c1nc(no1)-c1nc[nH]n1)[*:1]
CC(C)[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1nc(-c2nc[nH]n2)no1 c1nc(n[nH]1)[*:1] CC(C)[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1nc(no1)[*:1]
C[NH2+]C[C@H]1CCCCN1C(=O)c1n[nH]c(C(C)C)n1 CC(C)[*:1] C[NH2+]C[C@H]1CCCCN1C(=O)c1n[nH]c(n1)[*:1]
Cc1cccc(OCCn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)c1 Cc1cccc(c1)O[*:1] Cn1c(=O)n(CC[*:1])c(=O)c2ccc(nc21)C(F)(F)F
Cc1cccc(OCCn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)c1 FC(F)(F)[*:1] Cc1cccc(c1)OCCn1c(=O)c2ccc(nc2n(C)c1=O)[*:1]
Cc1cccc(OCCn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)c1 Cc1cccc(c1)OC[*:1] Cn1c(=O)n(C[*:1])c(=O)c2ccc(nc21)C(F)(F)F
Cc1cccc(OCCn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)c1 Cc1cccc(c1)[*:1] Cn1c(=O)n(CCO[*:1])c(=O)c2ccc(nc21)C(F)(F)F
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)N1CCc2cc(ccc21)S(=O)(=O)N(C)C)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCc2cc(ccc21)[*:1])[N+](=O)[O-]
CCN(C(=O)Cc1ccccc1N)C1CC1 C1CC1[*:1] CCN(C(=O)Cc1ccccc1N)[*:1]
COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)n2C)cc1 Fc1ccc(cc1F)[*:1] COc1ccc(cc1)-c1nnc(S[C@@H](C)C(=O)Nc2nc(cs2)[*:1])n1C
COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)n2C)cc1 COc1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1C)[*:1])C(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1
C[C@@H]1CCCC[C@@H]1OCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O O=[N+]([O-])[*:1] C[C@@H]1CCCC[C@@H]1OCCN1C(=O)c2cccc(c2C1=O)[*:1]
Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)CC2)cn1 Cn1cc(cn1)C(=O)NC[*:1] O=C([C@H]1CC(=O)N(C1)c1ccccc1Br)N1CCC(CC1)[*:1]
Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)CC2)cn1 Brc1ccccc1[*:1] Cn1cc(cn1)C(=O)NCC1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)CC2)cn1 Cn1cc(cn1)[*:1] O=C([C@H]1CC(=O)N(C1)c1ccccc1Br)N1CCC(CC1)CNC(=O)[*:1]
Cn1cc(C(=O)NCC2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4Br)C3)CC2)cn1 Cn1cc(cn1)C(=O)N[*:1] O=C([C@H]1CC(=O)N(C1)c1ccccc1Br)N1CCC(CC1)C[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N(c3ccccn3)[C@H](C)c3ccco3)cc2)n1 c1ccc(nc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N([C@H](C)c1ccco1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N(c3ccccn3)[C@H](C)c3ccco3)cc2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](c1ccco1)N(C(=O)c1ccc(cc1)[*:1])c1ccccn1
Cc1cc(C)n(-c2ccc(C(=O)N(c3ccccn3)[C@H](C)c3ccco3)cc2)n1 c1coc(c1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N(c1ccccn1)[C@H](C)[*:1]
CC(C)(C)c1nc2cc(NC(=O)C(=O)NC[C@@H]3CCC[C@@H]3O)ccc2o1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)C(=O)Nc1ccc2oc(nc2c1)[*:1]
CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CC1([NH+]3CCCCC3)CCCCC1)C2 O=C(N1CCCC1)[*:1] CCn1nc(c2C[C@@H](CCc21)[NH2+]CC1(CCCCC1)[NH+]1CCCCC1)[*:1]
Cc1csc(NC(=O)COC(=O)c2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] Cc1csc(n1)NC(=O)COC(=O)c1ccccc1[*:1]
Cc1csc(NC(=O)COC(=O)c2ccccc2C(F)(F)F)n1 Cc1csc(n1)[*:1] O=C(COC(=O)c1ccccc1C(F)(F)F)N[*:1]
CCCCOCC[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 CCCCO[*:1] CC1CCN(CC1)C(=O)C1CC[NH+](CC1)CC[*:1]
CCCCOCC[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 CCCCOCC[*:1] CC1CCN(CC1)C(=O)C1CC[NH+](CC1)[*:1]
CCCCOCC[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 CCCCOC[*:1] CC1CCN(CC1)C(=O)C1CC[NH+](CC1)C[*:1]
CCCCOCC[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 CCC[*:1] CC1CCN(CC1)C(=O)C1CC[NH+](CCOC[*:1])CC1
CCCCOCC[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 CCCC[*:1] CC1CCN(CC1)C(=O)C1CC[NH+](CCO[*:1])CC1
CNC(=O)c1ccc(NC(=O)N2CCC[C@@H](CC(C)C)C2)c(Cl)c1 CNC(=O)[*:1] CC(C)C[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1Cl)[*:1]
CNC(=O)c1ccc(NC(=O)N2CCC[C@@H](CC(C)C)C2)c(Cl)c1 CC(C)C[*:1] CNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C2)[*:1])c(Cl)c1
CNC(=O)c1ccc(NC(=O)N2CCC[C@@H](CC(C)C)C2)c(Cl)c1 CC(C)[*:1] CNC(=O)c1ccc(NC(=O)N2CCC[C@H](C2)C[*:1])c(Cl)c1
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1C CC(C)CCO[*:1] Cn1nccc1C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1C CC(C)CC[*:1] Cn1nccc1C(=O)N[C@@H]1CCCC[C@H]1O[*:1]
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1C CC(C)[*:1] Cn1nccc1C(=O)N[C@@H]1CCCC[C@H]1OCC[*:1]
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1C Cn1nccc1[*:1] CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)[*:1]
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1C CC(C)C[*:1] Cn1nccc1C(=O)N[C@@H]1CCCC[C@H]1OC[*:1]
CCCNC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1 CCC[*:1] O=C(N[*:1])[C@@H]1CCCN1c1nnc(s1)N1CCCC1=O
CCCNC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1 CCCNC(=O)[*:1] O=C1CCCN1c1nnc(s1)N1CCC[C@H]1[*:1]
CCCNC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1 O=C1CCCN1[*:1] CCCNC(=O)[C@@H]1CCCN1c1nnc(s1)[*:1]
COc1ccc(CCNc2nc(N(C)C)[nH+]c3c2CCN(C(C)=O)C3)cc1 COc1ccc(cc1)C[*:1] CC(=O)N1CCc2c(nc([nH+]c2C1)N(C)C)NC[*:1]
COc1ccc(CCNc2nc(N(C)C)[nH+]c3c2CCN(C(C)=O)C3)cc1 CN(C)[*:1] COc1ccc(cc1)CCNc1nc([nH+]c2CN(CCc12)C(C)=O)[*:1]
COc1ccc(CCNc2nc(N(C)C)[nH+]c3c2CCN(C(C)=O)C3)cc1 COc1ccc(cc1)[*:1] CC(=O)N1CCc2c(nc([nH+]c2C1)N(C)C)NCC[*:1]
COc1cccc(CNC(=O)Nc2cc(C)cc3cccnc23)n1 COc1cccc(n1)[*:1] Cc1cc(NC(=O)NC[*:1])c2ncccc2c1
O=C1NCCN1c1ccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1 c1cc(ccn1)[*:1] O=C1NCCN1c1ccc(cc1)C(=O)N(C[C@H]1CCCO1)[*:1]
O=C1NCCN1c1ccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1 O=C1NCCN1[*:1] O=C(c1ccc(cc1)[*:1])N(C[C@H]1CCCO1)c1ccncc1
Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H](c1cccnc1)N1CCOCC1 O=C1CCS(=O)(=O)N1[*:1] Cc1ccc(cc1S(=O)(=O)NC[C@H](c1cccnc1)N1CCOCC1)[*:1]
Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H](c1cccnc1)N1CCOCC1 c1cncc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)NC[C@H](N1CCOCC1)[*:1])N1C(=O)CCS1(=O)=O
Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H](c1cccnc1)N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccc(cc1S(=O)(=O)NC[C@H](c1cccnc1)[*:1])N1C(=O)CCS1(=O)=O
O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O c1nc(cs1)[*:1] O=C(c1n[nH]c2CCCc12)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O c1nc(cs1)C[*:1] O=C(c1n[nH]c2CCCc12)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O C1Cc2[nH]nc(c2C1)[*:1] O=C1[C@H]2CC[C@H](CN(C2)C(=O)[*:1])N1Cc1cscn1
CCC(CC)([NH2+]Cc1cc(C(N)=O)ccc1F)C(=O)[O-] NC(=O)[*:1] CCC(CC)([NH2+]Cc1cc(ccc1F)[*:1])C(=O)[O-]
CCC(CC)([NH2+]Cc1cc(C(N)=O)ccc1F)C(=O)[O-] O=C([O-])[*:1] CCC(CC)([NH2+]Cc1cc(ccc1F)C(N)=O)[*:1]
CNC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CNC(=O)c1ncoc1-c1cccc(c1)[*:1]
CNC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 CNC(=O)[*:1] FC(F)(F)c1cccc(c1)-c1ocnc1[*:1]
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 O=[N+]([O-])[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])c1ccc(cc1)-n1cncn1
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
COc1ccc(NC(=O)O/N=C\c2c(C)nn(C(C)(C)C)c2C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)NC(=O)O/N=C\c1c(C)nn(c1C)[*:1]
COc1ccc(NC(=O)O/N=C\c2c(C)nn(C(C)(C)C)c2C)cc1 COc1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=N\OC(=O)N[*:1])C(C)(C)C
O=C([O-])COc1nc(N2CCCCC2)nc(N2CCCCC2)n1 C1CCN(CC1)[*:1] O=C([O-])COc1nc(nc(n1)[*:1])N1CCCCC1
O=C([O-])COc1nc(N2CCCCC2)nc(N2CCCCC2)n1 O=C([O-])[*:1] C1CCN(CC1)c1nc(nc(n1)N1CCCCC1)OC[*:1]
O=C([O-])COc1nc(N2CCCCC2)nc(N2CCCCC2)n1 O=C([O-])C[*:1] C1CCN(CC1)c1nc(nc(n1)N1CCCCC1)O[*:1]
O=C([O-])COc1nc(N2CCCCC2)nc(N2CCCCC2)n1 O=C([O-])CO[*:1] C1CCN(CC1)c1nc(nc(n1)[*:1])N1CCCCC1
O[C@@H]1CCCN(c2ccc(-c3nc(COc4ccccc4)no3)c[nH+]2)C1 c1ccc(cc1)O[*:1] O[C@@H]1CCCN(C1)c1ccc(c[nH+]1)-c1nc(C[*:1])no1
O[C@@H]1CCCN(c2ccc(-c3nc(COc4ccccc4)no3)c[nH+]2)C1 c1ccc(cc1)OC[*:1] O[C@@H]1CCCN(C1)c1ccc(c[nH+]1)-c1nc(no1)[*:1]
O[C@@H]1CCCN(c2ccc(-c3nc(COc4ccccc4)no3)c[nH+]2)C1 c1ccc(cc1)[*:1] O[C@@H]1CCCN(C1)c1ccc(c[nH+]1)-c1nc(CO[*:1])no1
CC(C)C[NH+]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 CC(C)C[*:1] C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 CC(C)[*:1] C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](CC1)C[*:1]
CC[C@H]1CCCC[C@@H]1Sc1csc(C(=O)[O-])c1 O=C([O-])[*:1] CC[C@H]1CCCC[C@@H]1Sc1csc(c1)[*:1]
CCCCCNC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 CCCC[*:1] O=C(NC[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
CCCCCNC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 CCCCC[*:1] O=C(N[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
CCCCCNC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 CCC[*:1] O=C(NCC[*:1])N1CCO[C@H](C1)c1ccc(Cl)cc1
CCCCCNC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCCCCNC(=O)N1CCO[C@@H](C1)[*:1]
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)N1C[C@H]2CC=CC[C@H]2C1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1CN(CCO1)[*:1])N1C[C@H]2CC=CC[C@H]2C1
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)N1C[C@H]2CC=CC[C@H]2C1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CN(CCO1)C[*:1])N1C[C@H]2CC=CC[C@H]2C1
C/C(=C\c1c(F)cccc1Cl)C[NH2+]C(C)(C)C CC(C)(C)[*:1] C/C(=C\c1c(F)cccc1Cl)C[NH2+][*:1]
CC[C@H](C(=O)Nc1oc(C)c(C)c1C#N)n1c(=O)cc(C)c2ccccc21 Cc1oc(c(C#N)c1C)[*:1] CC[C@H](C(=O)N[*:1])n1c(=O)cc(C)c2ccccc21
C[C@@H](O)c1ccn(Cc2ccc(C(C)(C)C)cc2)c1 CC(C)(C)[*:1] C[C@@H](O)c1ccn(c1)Cc1ccc(cc1)[*:1]
C[C@@H](O)c1ccn(Cc2ccc(C(C)(C)C)cc2)c1 C[C@@H](O)[*:1] CC(C)(C)c1ccc(cc1)Cn1ccc(c1)[*:1]
CCCc1cnc(N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc1 CCC[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCN(CC1)c1ncc(cn1)[*:1]
CCCc1cnc(N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc1 Cc1ccc(cc1)[*:1] CCCc1cnc(nc1)N1CCCN(CC1)S(=O)(=O)[*:1]
C=C(C)COc1cc(CN2CCO[C@@H](C)[C@H]2C)ccc1OC C=C(C)C[*:1] COc1ccc(cc1O[*:1])CN1CCO[C@@H](C)[C@H]1C
C=C(C)COc1cc(CN2CCO[C@@H](C)[C@H]2C)ccc1OC C=C(C)CO[*:1] COc1ccc(cc1[*:1])CN1CCO[C@@H](C)[C@H]1C
C=C(C)COc1cc(CN2CCO[C@@H](C)[C@H]2C)ccc1OC C=C(C)[*:1] COc1ccc(cc1OC[*:1])CN1CCO[C@@H](C)[C@H]1C
COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(-c3n[nH]c(C)n3)c2)cc1 Cc1nc(n[nH]1)[*:1] COc1ccc(cc1)[C@H](C)[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(-c3n[nH]c(C)n3)c2)cc1 COc1ccc(cc1)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C[NH2+][C@@H](C)[C@@H](C)[*:1]
Cc1ccc2nc(C)cc(C(=O)Nc3cccc(C)n3)c2c1 Cc1cccc(n1)[*:1] Cc1ccc2nc(C)cc(C(=O)N[*:1])c2c1
C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)Cc1cccs1 O=[N+]([O-])[*:1] C[C@H](CNC(=O)N1CCc2ccc(cc2C1)[*:1])Cc1cccs1
C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](CNC(=O)N1CCc2ccc(cc2C1)[N+](=O)[O-])[*:1]
C[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)Cc1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)N1CCc2ccc(cc2C1)[N+](=O)[O-])C[*:1]
CCC(CC)NC(=O)c1cc(S(=O)(=O)NC)oc1C CCC(CC)[*:1] CNS(=O)(=O)c1cc(C(=O)N[*:1])c(C)o1
CCC(CC)NC(=O)c1cc(S(=O)(=O)NC)oc1C CNS(=O)(=O)[*:1] CCC(CC)NC(=O)c1cc(oc1C)[*:1]
CC(C)C[C@H](C[NH3+])c1nc(C(C)C)nn1C CC(C)C[*:1] CC(C)c1nc([C@@H](C[NH3+])[*:1])n(C)n1
CC(C)C[C@H](C[NH3+])c1nc(C(C)C)nn1C CC(C)[*:1] CC(C)C[C@H](C[NH3+])c1nc(nn1C)[*:1]
CC(C)C[C@H](C[NH3+])c1nc(C(C)C)nn1C CC(C)[*:1] CC(C)c1nc([C@@H](C[NH3+])C[*:1])n(C)n1
Cc1ccc([C@H](C/[NH+]=C/c2ccccc2O)N2CCOCC2)o1 Cc1ccc(o1)[*:1] Oc1ccccc1/C=[NH+]/C[C@H](N1CCOCC1)[*:1]
Cc1ccc([C@H](C/[NH+]=C/c2ccccc2O)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@H](C/[NH+]=C/c1ccccc1O)[*:1]
Cc1ccc([C@H](C/[NH+]=C/c2ccccc2O)N2CCOCC2)o1 Oc1ccccc1[*:1] Cc1ccc(o1)[C@H](C[NH+]=C[*:1])N1CCOCC1
CC(C)([C@@H](O)[C@@H]1CCOC2(CCC2)C1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)([C@@H](O)[C@@H]1CCOC2(CCC2)C1)[*:1]
O=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCN(c2nccs2)CC1 c1csc(c1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)NCC[*:1])N1CCN(CC1)c1nccs1
O=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCN(c2nccs2)CC1 c1csc(c1)CC[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCN(CC1)c1nccs1
O=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)NCCc1cccs1)N1CCN(CC1)[*:1]
O=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCN(c2nccs2)CC1 c1csc(c1)C[*:1] O=C(c1ccc(cc1)S(=O)(=O)NC[*:1])N1CCN(CC1)c1nccs1
COC(=O)c1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)cc1OC COC(=O)[*:1] COc1cc(OC)c(cc1[C@@H]1C(C#N)=C(C)NC2CC(C)(C)CC(=O)C=21)[*:1]
O=C(Cc1c(F)cccc1F)Nc1cccc(C(=O)NC2CC2)c1 Fc1cccc(F)c1[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)NC1CC1
O=C(Cc1c(F)cccc1F)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(Cc1c(F)cccc1F)Nc1cccc(c1)[*:1]
O=C(Cc1c(F)cccc1F)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(Cc1c(F)cccc1F)Nc1cccc(c1)C(=O)N[*:1]
O=[S@](Cc1ccccc1)C(Cl)(Cl)c1ccccc1 c1ccc(cc1)[*:1] O=[S@](Cc1ccccc1)C(Cl)(Cl)[*:1]
O=[S@](Cc1ccccc1)C(Cl)(Cl)c1ccccc1 c1ccc(cc1)[*:1] O=[S@](C[*:1])C(Cl)(Cl)c1ccccc1
CCC(CC)C(=O)Nc1ccc2c(C(C)C)cc(=O)[nH]c2c1 CCC(CC)[*:1] CC(C)c1cc(=O)[nH]c2cc(ccc12)NC(=O)[*:1]
CCC(CC)C(=O)Nc1ccc2c(C(C)C)cc(=O)[nH]c2c1 CC(C)[*:1] CCC(CC)C(=O)Nc1ccc2c(cc(=O)[nH]c2c1)[*:1]
COc1ccc2ccccc2c1/C=C1/N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O O=[N+]([O-])[*:1] COc1ccc2ccccc2c1/C=C1/N=C(OC1=O)c1ccc(C)c(c1)[*:1]
Cc1ccc(OCC(=O)N(C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 Fc1ccc(cc1)C[*:1] Cc1ccc(OCC(=O)N(C)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(OCC(=O)N(C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OCC(=O)N(C)Cc2ccc(F)cc2)c(c1)[*:1]
Cc1ccc(OCC(=O)N(C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 Fc1ccc(cc1)[*:1] Cc1ccc(OCC(=O)N(C)C[*:1])c(c1)[N+](=O)[O-]
Fc1ccc(CN2CCN(c3cc(Cl)ncn3)CC2)c(F)c1 Clc1cc(ncn1)[*:1] Fc1ccc(CN2CCN(CC2)[*:1])c(F)c1
CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(C(=O)CN2C(=O)c4ccccc4C2=O)CC3)CC1 O=C1c2ccccc2C(=O)N1[*:1] CCOC(=O)N1CCN(CC1)C(=O)[C@@H]1CC12CCN(CC2)C(=O)C[*:1]
C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O C1CO[C@H](C1)C[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1cccc2ccccc12
C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O O=C(NC[C@H]1CCCO1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cccc2ccccc12
C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O C1CO[C@H](C1)[*:1] C[C@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1cccc2ccccc12
CCOc1ccccc1C[C@@H]([NH3+])c1nc2ccccc2s1 CCO[*:1] [NH3+][C@H](Cc1ccccc1[*:1])c1nc2ccccc2s1
CCC[C@H](CC(=O)OC)Nc1ncnc2c(C)cccc12 CCC[*:1] COC(=O)C[C@H](Nc1ncnc2c(C)cccc12)[*:1]
CCC[C@H](CC(=O)OC)Nc1ncnc2c(C)cccc12 COC(=O)C[*:1] CCC[C@H](Nc1ncnc2c(C)cccc12)[*:1]
CCC[C@H](CC(=O)OC)Nc1ncnc2c(C)cccc12 COC(=O)[*:1] CCC[C@H](C[*:1])Nc1ncnc2c(C)cccc12
O=C1NCCN1[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 O=[N+]([O-])[*:1] O=C1NCCN1[C@H]1CCCN(C1)c1ccc2cc(ccc2n1)[*:1]
O=C1NCCN1[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 O=C1NCCN1[*:1] O=[N+]([O-])c1ccc2nc(ccc2c1)N1CCC[C@@H](C1)[*:1]
O=C(Cn1cnnn1)N1CCC[C@H]1c1nc2ccccc2[nH]1 c1nnnn1[*:1] O=C(C[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
O=C(Cn1cnnn1)N1CCC[C@H]1c1nc2ccccc2[nH]1 c1nnnn1C[*:1] O=C(N1CCC[C@H]1c1nc2ccccc2[nH]1)[*:1]
Cc1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)cn1 CC(C)(C)[*:1] Cc1ccc(cn1)OCC1CCN(CC1)C(=O)O[*:1]
Cc1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)cn1 Cc1ccc(cn1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)CO[*:1]
Cc1cccc(NC(=O)Nc2ccccn2)c1C c1ccc(nc1)[*:1] Cc1cccc(NC(=O)N[*:1])c1C
CC(C)[NH+]1CCC([NH+]2CCCCC2)CC1 CC(C)[*:1] C1CC[NH+](CC1)C1CC[NH+](CC1)[*:1]
CSc1cccc(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CCO3)c1 CSc1cccc(c1)[*:1] CC(=O)N1CCOc2cc(c(Cl)cc21)S(=O)(=O)N[*:1]
Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)NN=C[*:1]
Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1 Cc1ccccc1[*:1] N#Cc1ccc(/C=N/NC(=O)c2ccc(cc2)NC(=O)[*:1])cc1
COC(=O)c1c(C)nc2ccn(-c3nccs3)c(=O)c2c1-c1ccc(Cl)cc1 c1csc(n1)[*:1] COC(=O)c1c(C)nc2ccn(c(=O)c2c1-c1ccc(Cl)cc1)[*:1]
COC(=O)c1c(C)nc2ccn(-c3nccs3)c(=O)c2c1-c1ccc(Cl)cc1 COC(=O)[*:1] Cc1nc2ccn(-c3nccs3)c(=O)c2c(-c2ccc(Cl)cc2)c1[*:1]
COC(=O)c1c(C)nc2ccn(-c3nccs3)c(=O)c2c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)c1c(C)nc2ccn(-c3nccs3)c(=O)c2c1[*:1]
CC(C)n1ncc2c(C(=O)NC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc(-c3cccs3)nc21 CC(C)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cc(nc3c2cnn3[*:1])-c2cccs2)C1
CC(C)n1ncc2c(C(=O)NC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc(-c3cccs3)nc21 CC(C)(C)[*:1] CC(C)n1ncc2c(cc(nc21)-c1cccs1)C(=O)NC[C@@H]1CCCN(C1)C(=O)O[*:1]
CC(C)n1ncc2c(C(=O)NC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc(-c3cccs3)nc21 c1csc(c1)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)NC[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
O=C([O-])c1ccc(CN2CC(=O)N3CCCC[C@@H]3C2=O)o1 O=C([O-])[*:1] O=C1[C@H]2CCCCN2C(=O)CN1Cc1ccc(o1)[*:1]
CC(C)Cn1cc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cn1 CC(C)[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)Nc1cnn(c1)C[*:1]
CC(C)Cn1cc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cn1 CC(C)C[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)Nc1cnn(c1)[*:1]
O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCC2(CC1)OCCO2 Brc1ccc(cc1)[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCC2(CC1)OCCO2
CCN(Cc1ccccc1)C(=O)[C@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 c1ccc(cc1)C[*:1] CCN(C(=O)[C@H]1CSc2nc(cc(=O)n2C1)C(C)(C)C)[*:1]
CCN(Cc1ccccc1)C(=O)[C@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 CC(C)(C)[*:1] CCN(Cc1ccccc1)C(=O)[C@H]1CSc2nc(cc(=O)n2C1)[*:1]
CCN(Cc1ccccc1)C(=O)[C@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)[C@H]1CSc2nc(cc(=O)n2C1)C(C)(C)C
Cc1c(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)sc2nc3n(c(=O)c12)CCCCC3 c1coc(c1)C[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)N(C[C@H]1CCCO1)[*:1]
Cc1c(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)sc2nc3n(c(=O)c12)CCCCC3 c1coc(c1)[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)N(C[C@H]1CCCO1)C[*:1]
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCc3ccco3)C(C)(C)S[C@H]21 O=C(NCc1ccco1)[*:1] COc1ccc2c(C(=O)N3[C@@H](C(C)(C)S[C@H]23)[*:1])c1OC
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCc3ccco3)C(C)(C)S[C@H]21 c1coc(c1)[*:1] COc1ccc2c(C(=O)N3[C@@H](C(=O)NC[*:1])C(C)(C)S[C@H]23)c1OC
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCc3ccco3)C(C)(C)S[C@H]21 c1coc(c1)C[*:1] COc1ccc2c(C(=O)N3[C@@H](C(=O)N[*:1])C(C)(C)S[C@H]23)c1OC
COc1ccc([C@@H](O)CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H](O)CNCc1ccc(C)c(c1)[*:1]
NC(=O)C1CCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 NC(=O)[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 c1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)Cn1nc(ccc1=O)[*:1]
CCOc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-] C1CN(CCO1)C[*:1] CCOc1ncnc(NC[*:1])c1[N+](=O)[O-]
CCOc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ncnc(NCCN2CCOCC2)c1[*:1]
CCOc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-] CCO[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NCCN1CCOCC1
CCOc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-] C1CN(CCO1)[*:1] CCOc1ncnc(NCC[*:1])c1[N+](=O)[O-]
Nc1cn(C2CCCC2)nc1C1CC1 C1CC1[*:1] Nc1cn(nc1[*:1])C1CCCC1
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccnc2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccnc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1cccnc1
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccnc2)cc1OC O=C(c1ccccc1)[*:1] COc1ccc(cc1OC)[C@@H]1C(=C([O-])C(=O)N1c1cccnc1)[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccnc2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1[*:1])c1ccccc1
Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)cc1 O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1)NC(=O)CSc1nc(C)cc(C)c1[*:1]
Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)Nc2ccccc2)c(n1)SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CSc1nc(C)cc(C)c1C(=O)N[*:1]
C[C@]1(CNC(=O)C[C@H]2CCC[C@H]([NH3+])C2)CCCO1 C[C@@]1(CCCO1)[*:1] [NH3+][C@H]1CCC[C@H](CC(=O)NC[*:1])C1
O=C(Nc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 c1cnnc(c1)[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)[*:1]
O=C(Nc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1cccnn1
O=C(NCc1ccccn1)c1cc(NCCC(=O)N2CCCC2)cc[nH+]1 c1ccc(C[*:1])nc1 O=C(N[*:1])c1cc(cc[nH+]1)NCCC(=O)N1CCCC1
O=C(NCc1ccccn1)c1cc(NCCC(=O)N2CCCC2)cc[nH+]1 O=C(C[*:1])N1CCCC1 O=C(NCc1ccccn1)c1cc(cc[nH+]1)NC[*:1]
O=C(NCc1ccccn1)c1cc(NCCC(=O)N2CCCC2)cc[nH+]1 O=C(N1CCCC1)[*:1] O=C(NCc1ccccn1)c1cc(cc[nH+]1)NCC[*:1]
O=C(NCc1ccccn1)c1cc(NCCC(=O)N2CCCC2)cc[nH+]1 c1ccc(nc1)[*:1] O=C(NC[*:1])c1cc(cc[nH+]1)NCCC(=O)N1CCCC1
CC1(C)C(C(=O)N2CC[C@@H](CC(=O)[O-])C2)C1(C)C O=C([O-])C[*:1] CC1(C)C(C(=O)N2CC[C@@H](C2)[*:1])C1(C)C
CC1(C)C(C(=O)N2CC[C@@H](CC(=O)[O-])C2)C1(C)C O=C([O-])[*:1] CC1(C)C(C(=O)N2CC[C@H](C2)C[*:1])C1(C)C
C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Fc1ccc(cc1)S[*:1] C[C@H](C(=O)Nc1ccc(cc1)OC(F)(F)F)[*:1]
C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Fc1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)Nc1ccc(cc1)OC(F)(F)F
C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(cc1)O[*:1]
C[C@@H](SCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)C(=O)NCc1nnc2ccccn12 c1ccn2c(C[*:1])nnc2c1 C[C@@H](SCC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21)C(=O)N[*:1]
C[C@@H](SCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)C(=O)NCc1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] C[C@@H](SCC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21)C(=O)NC[*:1]
C[C@@H](C#N)Sc1nnc(N2CCCCC2)n1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C#N)Sc1nnc(N2CCCCC2)n1[*:1]
C[C@@H](C#N)Sc1nnc(N2CCCCC2)n1-c1ccccc1 C1CCN(CC1)[*:1] C[C@@H](C#N)Sc1nnc(n1-c1ccccc1)[*:1]
CC(C)[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc(Cl)cc1 c1coc(c1)[*:1] CC(C)[C@H](Sc1nnc(n1C)[*:1])C(=O)Nc1ccc(Cl)cc1
CC(C)[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)N[*:1]
CC(C)[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc(Cl)cc1 CC(C)[*:1] Cn1c(nnc1-c1ccco1)S[C@H](C(=O)Nc1ccc(Cl)cc1)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2ccc(OC(C)C)cc2)C1 CCOC[*:1] CC(C)Oc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2ccc(OC(C)C)cc2)C1 CC(C)[*:1] CCOC[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)O[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2ccc(OC(C)C)cc2)C1 CC(C)O[*:1] CCOC[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2ccc(OC(C)C)cc2)C1 CCO[*:1] CC(C)Oc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)C[*:1]
N#Cc1nc(NCCNC(=O)CC2CCCC2)ccc1Cl C1CCC(C1)[*:1] N#Cc1nc(ccc1Cl)NCCNC(=O)C[*:1]
N#Cc1nc(NCCNC(=O)CC2CCCC2)ccc1Cl C1CCC(C1)C[*:1] N#Cc1nc(ccc1Cl)NCCNC(=O)[*:1]
O=C(NCc1ccco1)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@@H]3C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NCc1ccco1)c1ccc2c(=O)nc3[C@H](SC(=S)n3c2c1)C(=O)NC[*:1]
O=C(NCc1ccco1)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@@H]3C(=O)NC[C@H]1CCCO1 c1coc(c1)C[*:1] O=C(N[*:1])c1ccc2c(=O)nc3[C@H](SC(=S)n3c2c1)C(=O)NC[C@H]1CCCO1
O=C(NCc1ccco1)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@@H]3C(=O)NC[C@H]1CCCO1 O=C(NCc1ccco1)[*:1] O=C(NC[C@H]1CCCO1)[C@H]1SC(=S)n2c1nc(=O)c1ccc(cc12)[*:1]
O=C(NCc1ccco1)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@@H]3C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(NCc1ccco1)c1ccc2c(=O)nc3[C@H](SC(=S)n3c2c1)C(=O)N[*:1]
O=C(NCc1ccco1)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@@H]3C(=O)NC[C@H]1CCCO1 c1coc(c1)[*:1] O=C(NC[*:1])c1ccc2c(=O)nc3[C@H](SC(=S)n3c2c1)C(=O)NC[C@H]1CCCO1
CC[C@H]1CCCC[C@@H]1OC(=O)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1[*:1] CC[C@H]1CCCC[C@@H]1OC(=O)c1ccc(C[*:1])o1
CC[C@H]1CCCC[C@@H]1OC(=O)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1C[*:1] CC[C@H]1CCCC[C@@H]1OC(=O)c1ccc(o1)[*:1]
COc1cc(OC)c(CCNC(=O)Nc2ccccn2)c(OC)c1 c1ccc(nc1)[*:1] COc1cc(OC)c(CCNC(=O)N[*:1])c(c1)OC
O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(c(Nc2ccc(Cl)cc2)c2nonc12)[*:1]
O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(c2nonc2c1Nc1ccc(Cl)cc1)[*:1]
O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1cc(c2nonc2c1N[*:1])[N+](=O)[O-]
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)ccc1O CC(C)[*:1] COc1cc(ccc1O)[C@H]1NC(=O)NC(C)=C1C(=O)O[*:1]
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)ccc1O CC(C)OC(=O)[*:1] COc1cc(ccc1O)[C@H]1NC(=O)NC(C)=C1[*:1]
COC[C@@H](C)CC(=O)N1CCSC[C@@H]1CC(=O)[O-] O=C([O-])[*:1] COC[C@@H](C)CC(=O)N1CCSC[C@@H]1C[*:1]
COC[C@@H](C)CC(=O)N1CCSC[C@@H]1CC(=O)[O-] COC[C@@H](C)[*:1] O=C([O-])C[C@H]1CSCCN1C(=O)C[*:1]
COC[C@@H](C)CC(=O)N1CCSC[C@@H]1CC(=O)[O-] COC[*:1] C[C@@H](CC(=O)N1CCSC[C@@H]1CC(=O)[O-])[*:1]
COC[C@@H](C)CC(=O)N1CCSC[C@@H]1CC(=O)[O-] O=C([O-])C[*:1] COC[C@@H](C)CC(=O)N1CCSC[C@H]1[*:1]
COC[C@@H](C)CC(=O)N1CCSC[C@@H]1CC(=O)[O-] COC[C@@H](C)C[*:1] O=C([O-])C[C@H]1CSCCN1C(=O)[*:1]
O=C(c1ccccc1Cl)N1N=C(C(F)(F)F)C[C@@]1(O)C1CCCCC1 Clc1ccccc1[*:1] O=C(N1N=C(C[C@@]1(O)C1CCCCC1)C(F)(F)F)[*:1]
O=C(c1ccccc1Cl)N1N=C(C(F)(F)F)C[C@@]1(O)C1CCCCC1 C1CCC(CC1)[*:1] O=C(c1ccccc1Cl)N1N=C(C[C@]1(O)[*:1])C(F)(F)F
O=C(c1ccccc1Cl)N1N=C(C(F)(F)F)C[C@@]1(O)C1CCCCC1 FC(F)(F)[*:1] O=C(c1ccccc1Cl)N1N=C(C[C@@]1(O)C1CCCCC1)[*:1]
C[C@@H]1CN(C/C=C/c2ccc(F)cc2)C[C@H](C(N)=O)O1 NC(=O)[*:1] C[C@@H]1CN(C/C=C/c2ccc(F)cc2)C[C@H](O1)[*:1]
COC(=O)[C@@H](C)N1CCc2c(F)ccc(F)c2C1 COC(=O)[*:1] C[C@@H](N1CCc2c(F)ccc(F)c2C1)[*:1]
COC(=O)[C@@H](C)N1CCc2c(F)ccc(F)c2C1 COC(=O)[C@@H](C)[*:1] Fc1ccc(F)c2CN(CCc12)[*:1]
CC(C)c1ccccc1OC[C@@H]1CO1 CC(C)[*:1] c1ccc(c(c1)OC[C@@H]1CO1)[*:1]
CC(C)c1ccccc1OC[C@@H]1CO1 C1O[C@@H]1[*:1] CC(C)c1ccccc1OC[*:1]
CC(C)c1ccccc1OC[C@@H]1CO1 C1O[C@@H]1C[*:1] CC(C)c1ccccc1O[*:1]
CNC(=O)c1cccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c1 CNC(=O)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1cccc(c1)[*:1]
CCOc1ccccc1NC(=O)C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O CCOc1ccccc1[*:1] O=C(C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O)N[*:1]
CCOc1ccccc1NC(=O)C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O CCO[*:1] O=C(C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)C[C@H]1Cn2ncc(c2NC1=O)[*:1]
Cc1ccc(CCC(=O)NCC(=O)N2CCCC2)o1 Cc1ccc(o1)[*:1] O=C(CC[*:1])NCC(=O)N1CCCC1
O=C(Nc1cc(F)c(F)cc1F)c1n[nH]c(C2CC2)n1 C1CC1[*:1] O=C(Nc1cc(F)c(F)cc1F)c1n[nH]c(n1)[*:1]
COc1ccc(Oc2cc(CNC(=O)Cc3cc(C)on3)ccn2)cc1 Cc1cc(C[*:1])no1 COc1ccc(cc1)Oc1cc(ccn1)CNC(=O)[*:1]
COc1ccc(Oc2cc(CNC(=O)Cc3cc(C)on3)ccn2)cc1 Cc1cc(no1)[*:1] COc1ccc(cc1)Oc1cc(ccn1)CNC(=O)C[*:1]
COc1ccc(Oc2cc(CNC(=O)Cc3cc(C)on3)ccn2)cc1 COc1ccc(cc1)[*:1] Cc1cc(CC(=O)NCc2ccnc(c2)O[*:1])no1
Cc1ccc2nc(C)cc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2c1 CS(=O)(=O)N[*:1] Cc1ccc2nc(C)cc(C(=O)N3CC[C@H](C3)[*:1])c2c1
CCN(CCCNC(=O)[C@@H]1C=C2C(=O)[NH+]=c3ccccc3=C2N1C)c1ccccc1 c1ccc(cc1)[*:1] CCN(CCCNC(=O)[C@@H]1C=C2C(=O)[NH+]=c3ccccc3=C2N1C)[*:1]
CCN(CCCNC(=O)[C@@H]1C=C2C(=O)[NH+]=c3ccccc3=C2N1C)c1ccccc1 CCN(C[*:1])c1ccccc1 CN1C2C(=C[C@H]1C(=O)NCC[*:1])C(=O)[NH+]=c1ccccc1=2
CCN(CCCNC(=O)[C@@H]1C=C2C(=O)[NH+]=c3ccccc3=C2N1C)c1ccccc1 CCN(c1ccccc1)[*:1] CN1C2C(=C[C@H]1C(=O)NCCC[*:1])C(=O)[NH+]=c1ccccc1=2
O=C(Nc1cccnc1)C1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] O=C(Nc1cccnc1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1cccnc1)C1CCN(C(=O)c2ccoc2)CC1 c1cncc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccoc1
Cc1ccc2[nH+]c(N3CCC[C@H](C(=O)NCc4cccc(Cl)c4)C3)[nH]c2c1 Clc1cccc(c1)[*:1] Cc1ccc2[nH+]c([nH]c2c1)N1CCC[C@@H](C1)C(=O)NC[*:1]
Cc1ccc2[nH+]c(N3CCC[C@H](C(=O)NCc4cccc(Cl)c4)C3)[nH]c2c1 Clc1cccc(c1)C[*:1] Cc1ccc2[nH+]c([nH]c2c1)N1CCC[C@@H](C1)C(=O)N[*:1]
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CCN(CC(=O)Nc1ccc(cc1)NC(C)=O)C(=O)C=C[*:1]
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccccc1 CC(=O)N[*:1] CCN(CC(=O)Nc1ccc(cc1)[*:1])C(=O)/C=C/c1ccccc1
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 CCN(CC(=O)Nc1ccc(cc1)NC(C)=O)C(=O)[*:1]
O=C(CN1CCOCC1)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 C1CN(CCO1)C[*:1] O=C1N(CCC[C@]12CCN(C2)C(=O)[*:1])C1CCCCC1
O=C(CN1CCOCC1)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 C1CN(CCO1)[*:1] O=C(C[*:1])N1CC[C@]2(CCCN(C2=O)C2CCCCC2)C1
O=C(CN1CCOCC1)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 C1CCC(CC1)[*:1] O=C(CN1CCOCC1)N1CC[C@]2(CCCN(C2=O)[*:1])C1
Cc1nc(NCc2ccc(F)cc2)nc(N(C)C)n1 CN(C)[*:1] Cc1nc(nc(n1)[*:1])NCc1ccc(F)cc1
NC(=O)COc1ccc(Cl)cc1C[NH2+]Cc1cccnc1 NC(=O)[*:1] Clc1ccc(OC[*:1])c(c1)C[NH2+]Cc1cccnc1
NC(=O)COc1ccc(Cl)cc1C[NH2+]Cc1cccnc1 c1cncc(c1)[*:1] NC(=O)COc1ccc(Cl)cc1C[NH2+]C[*:1]
NC(=O)COc1ccc(Cl)cc1C[NH2+]Cc1cccnc1 c1cncc(c1)C[*:1] NC(=O)COc1ccc(Cl)cc1C[NH2+][*:1]
NC(=O)COc1ccc(Cl)cc1C[NH2+]Cc1cccnc1 NC(=O)C[*:1] Clc1ccc(O[*:1])c(c1)C[NH2+]Cc1cccnc1
NC(=O)COc1ccc(Cl)cc1C[NH2+]Cc1cccnc1 NC(=O)CO[*:1] Clc1ccc(c(c1)C[NH2+]Cc1cccnc1)[*:1]
Cc1nn(-c2ccccn2)c2nc(-c3ccccc3)cc(C(=O)N3CCCCC3)c12 O=C(N1CCCCC1)[*:1] Cc1nn(-c2ccccn2)c2nc(cc(c12)[*:1])-c1ccccc1
Cc1nn(-c2ccccn2)c2nc(-c3ccccc3)cc(C(=O)N3CCCCC3)c12 c1ccc(nc1)[*:1] Cc1nn(c2nc(cc(C(=O)N3CCCCC3)c12)-c1ccccc1)[*:1]
Cc1nn(-c2ccccn2)c2nc(-c3ccccc3)cc(C(=O)N3CCCCC3)c12 c1ccc(cc1)[*:1] Cc1nn(-c2ccccn2)c2nc(cc(C(=O)N3CCCCC3)c12)[*:1]
C[C@@H]1Sc2ccc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)cc2NC1=O Fc1ccc(cc1)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)Nc1ccc(cc1)NS(=O)(=O)[*:1]
COc1ccc(C(=O)NC(=S)N2CCN(Cc3ccccc3)CC2)cc1I c1ccc(cc1)C[*:1] COc1ccc(cc1I)C(=O)NC(=S)N1CCN(CC1)[*:1]
COc1ccc(C(=O)NC(=S)N2CCN(Cc3ccccc3)CC2)cc1I COc1ccc(cc1I)[*:1] O=C(NC(=S)N1CCN(CC1)Cc1ccccc1)[*:1]
COc1ccc(C(=O)NC(=S)N2CCN(Cc3ccccc3)CC2)cc1I c1ccc(cc1)[*:1] COc1ccc(cc1I)C(=O)NC(=S)N1CCN(CC1)C[*:1]
O=C(NCc1cccc(OCC(F)F)n1)Nc1cccnn1 FC(F)CO[*:1] O=C(NCc1cccc(n1)[*:1])Nc1cccnn1
O=C(NCc1cccc(OCC(F)F)n1)Nc1cccnn1 c1cnnc(c1)[*:1] O=C(NCc1cccc(n1)OCC(F)F)N[*:1]
O=C(NCc1cccc(OCC(F)F)n1)Nc1cccnn1 FC(F)C[*:1] O=C(NCc1cccc(n1)O[*:1])Nc1cccnn1
O=C(NCc1cccc(OCC(F)F)n1)Nc1cccnn1 FC(F)[*:1] O=C(NCc1cccc(n1)OC[*:1])Nc1cccnn1
Cc1cccc(CN2CCCN(CC(=O)Nc3cc(Cl)ccc3C)S2(=O)=O)c1 Cc1cccc(c1)[*:1] Cc1ccc(Cl)cc1NC(=O)CN1CCCN(C[*:1])S1(=O)=O
Cc1cccc(CN2CCCN(CC(=O)Nc3cc(Cl)ccc3C)S2(=O)=O)c1 Cc1ccc(Cl)cc1[*:1] Cc1cccc(c1)CN1CCCN(CC(=O)N[*:1])S1(=O)=O
Cc1cccc(CN2CCCN(CC(=O)Nc3cc(Cl)ccc3C)S2(=O)=O)c1 Cc1cccc(c1)C[*:1] Cc1ccc(Cl)cc1NC(=O)CN1CCCN(S1(=O)=O)[*:1]
CCc1ccc(CNC(=O)N[C@@H]2COc3ccc(OC)cc3C2)cc1 CCc1ccc(cc1)[*:1] COc1ccc2OC[C@H](Cc2c1)NC(=O)NC[*:1]
O=C([O-])c1ccc(CN2CCN3C(=O)NC[C@@H]3C2)nc1 O=C([O-])[*:1] O=C1NC[C@@H]2CN(CCN12)Cc1ccc(cn1)[*:1]
Cc1cc(NC(=O)c2cccc(F)c2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(nn1[*:1])NC(=O)c1cccc(F)c1
Cc1cc(NC(=O)c2cccc(F)c2)nn1-c1ccccc1 Fc1cccc(c1)[*:1] Cc1cc(nn1-c1ccccc1)NC(=O)[*:1]
C[C@H]1CN(C(=O)c2cc(F)ccc2I)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])C(=O)c1cc(F)ccc1I
CCc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 CCc1ccccc1[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)C(=O)c1ccccc1NC(=O)C1CCN(C(=O)C2CC2)CC1 CC(C)[*:1] O=C(Nc1ccccc1C(=O)[*:1])C1CCN(CC1)C(=O)C1CC1
CC(C)C(=O)c1ccccc1NC(=O)C1CCN(C(=O)C2CC2)CC1 CC(C)C(=O)[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)C(=O)C1CC1
CC(C)C(=O)c1ccccc1NC(=O)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] CC(C)C(=O)c1ccccc1NC(=O)C1CCN(CC1)C(=O)[*:1]
CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(C)o1)C(N)=O Cc1ccc(o1)[*:1] CC[C@H](C)[C@H](NC(=O)C=C[*:1])C(N)=O
CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(C)o1)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(C)o1)[*:1]
CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(C)o1)C(N)=O CC[C@H](C)[*:1] Cc1ccc(/C=C/C(=O)N[C@H](C(N)=O)[*:1])o1
O=C(N/N=C/c1ccc(F)cc1)c1cccc2cc[nH]c12 Fc1ccc(cc1)[*:1] O=C(NN=C[*:1])c1cccc2cc[nH]c12
CCC[NH2+][C@@H](COC(C)C)[C@H]1CCCc2ccccc21 CC(C)[*:1] CCC[NH2+][C@@H](CO[*:1])[C@H]1CCCc2ccccc21
CCC[NH2+][C@@H](COC(C)C)[C@H]1CCCc2ccccc21 CC(C)OC[*:1] CCC[NH2+][C@@H]([C@H]1CCCc2ccccc21)[*:1]
CCC[NH2+][C@@H](COC(C)C)[C@H]1CCCc2ccccc21 CC(C)O[*:1] CCC[NH2+][C@@H](C[*:1])[C@H]1CCCc2ccccc21
CCC[NH2+][C@@H](COC(C)C)[C@H]1CCCc2ccccc21 CCC[*:1] CC(C)OC[C@H]([NH2+][*:1])[C@H]1CCCc2ccccc21
CCc1nn(C)cc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)cc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[*:1]
CCc1nn(C)cc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] CCc1nn(C)cc1[*:1] O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[*:1]
CC[C@H]1c2ccccc2CCN1C(=O)[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] CC[C@H]1c2ccccc2CCN1C(=O)[*:1]
COCCN(CC(F)F)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O FC(F)[*:1] COCCN(C[*:1])C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O
COCCN(CC(F)F)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O COCC[*:1] O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N(CC(F)F)[*:1]
COCCN(CC(F)F)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O COC[*:1] O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N(CC(F)F)C[*:1]
COCCN(CC(F)F)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O FC(F)C[*:1] COCCN(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)[*:1]
CCc1nn(C)cc1C(=O)N[C@@H](C#N)c1ccccc1F Fc1ccccc1[*:1] CCc1nn(C)cc1C(=O)N[C@@H](C#N)[*:1]
C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1ccc2nnc(C(F)(F)F)n2n1 Clc1ccc(c(Cl)c1)[*:1] C[C@@H](N(C)c1ccc2nnc(n2n1)C(F)(F)F)[*:1]
C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1ccc2nnc(C(F)(F)F)n2n1 FC(F)(F)[*:1] C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1ccc2nnc(n2n1)[*:1]
C[C@@H](OCCCNC(=O)c1n[nH]c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OCCCNC(=O)c1n[nH]c2ccccc12)[*:1]
C[C@@H](OCCCNC(=O)c1n[nH]c2ccccc12)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NCCCO[*:1])c1n[nH]c2ccccc12
COCCN(CC(=O)N(C)C)C(=O)[C@H]1CC=CCC1 CN(C)C(=O)C[*:1] COCCN(C(=O)[C@H]1CC=CCC1)[*:1]
COCCN(CC(=O)N(C)C)C(=O)[C@H]1CC=CCC1 CN(C)C(=O)[*:1] COCCN(C[*:1])C(=O)[C@H]1CC=CCC1
COCCN(CC(=O)N(C)C)C(=O)[C@H]1CC=CCC1 COCC[*:1] CN(C)C(=O)CN(C(=O)[C@H]1CC=CCC1)[*:1]
COCCN(CC(=O)N(C)C)C(=O)[C@H]1CC=CCC1 COC[*:1] CN(C)C(=O)CN(C[*:1])C(=O)[C@H]1CC=CCC1
N#Cc1ccccc1CNc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] N#Cc1ccccc1CNc1ccc(cc1)[*:1]
CC[NH2+][C@H](Cc1ccc(F)c(Br)c1)c1cscc1C Cc1cscc1[*:1] CC[NH2+][C@H](Cc1ccc(F)c(Br)c1)[*:1]
CC(C)CNC(=O)c1ccc(NCC(=O)NC2(C#N)CCCC2)cc1Cl CC(C)C[*:1] N#CC1(CCCC1)NC(=O)CNc1ccc(C(=O)N[*:1])c(Cl)c1
CC(C)CNC(=O)c1ccc(NCC(=O)NC2(C#N)CCCC2)cc1Cl N#CC1(CCCC1)[*:1] CC(C)CNC(=O)c1ccc(cc1Cl)NCC(=O)N[*:1]
CC(C)CNC(=O)c1ccc(NCC(=O)NC2(C#N)CCCC2)cc1Cl CC(C)CNC(=O)[*:1] N#CC1(CCCC1)NC(=O)CNc1ccc(c(Cl)c1)[*:1]
CC(C)CNC(=O)c1ccc(NCC(=O)NC2(C#N)CCCC2)cc1Cl CC(C)[*:1] N#CC1(CCCC1)NC(=O)CNc1ccc(C(=O)NC[*:1])c(Cl)c1
N#C/C=C/c1cccc(OC(F)F)c1 N#CC=C[*:1] FC(F)Oc1cccc(c1)[*:1]
N#C/C=C/c1cccc(OC(F)F)c1 FC(F)O[*:1] N#C/C=C/c1cccc(c1)[*:1]
N#C/C=C/c1cccc(OC(F)F)c1 FC(F)[*:1] N#C/C=C/c1cccc(c1)O[*:1]
CCOc1cccc([C@H](C)NS(=O)(=O)c2cc(F)c(F)cc2F)c1 CCO[*:1] C[C@H](NS(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(c1)[*:1]
CN(C)C(=O)CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 CN(C)C(=O)[*:1] Clc1ccc(cc1Cl)[C@H]([NH2+]CCC[*:1])C1CC1
CN(C)C(=O)CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 CN(C)C(=O)C[*:1] Clc1ccc(cc1Cl)[C@H]([NH2+]CC[*:1])C1CC1
CN(C)C(=O)CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 C1CC1[*:1] CN(C)C(=O)CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[*:1]
CN(C)C(=O)CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 CN(C)C(=O)CC[*:1] Clc1ccc(cc1Cl)[C@H]([NH2+]C[*:1])C1CC1
O=C(NNS(=O)(=O)c1cccc(F)c1)c1ccc2c(c1)OCCO2 Fc1cccc(c1)[*:1] O=C(NNS(=O)(=O)[*:1])c1ccc2OCCOc2c1
N#C/C(=C\c1ccco1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 c1coc(c1)[*:1] N#CC(=C[*:1])C(=O)N1CCN(CC1)Cc1ccc(Cl)cc1
N#C/C(=C\c1ccco1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] N#C/C(=C\c1ccco1)C(=O)N1CCN(CC1)[*:1]
N#C/C(=C\c1ccco1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] N#C/C(=C\c1ccco1)C(=O)N1CCN(CC1)C[*:1]
C[C@@H](NC(=O)c1ccccc1SCc1cn2ccccc2n1)C(N)=O C[C@@H](NC(=O)[*:1])C(N)=O c1ccc(c(c1)SCc1cn2ccccc2n1)[*:1]
C[C@@H](NC(=O)c1ccccc1SCc1cn2ccccc2n1)C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)c1ccccc1SCc1cn2ccccc2n1)[*:1]
C[C@@H](NC(=O)c1ccccc1SCc1cn2ccccc2n1)C(N)=O C[C@@H](C(N)=O)[*:1] O=C(N[*:1])c1ccccc1SCc1cn2ccccc2n1
O=C1CCCc2[nH]c(=O)c(C(=O)Oc3ccc(-c4ccccc4)cc3Cl)cc21 c1ccc(cc1)[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)Oc1ccc(cc1Cl)[*:1]
CC(C)(C)c1nnc(CNc2c(F)cccc2F)o1 CC(C)(C)[*:1] Fc1cccc(F)c1NCc1nnc(o1)[*:1]
CCc1noc(C)c1C(=O)Nc1cccnc1Oc1cccc(C)c1C CCc1noc(C)c1[*:1] Cc1cccc(Oc2ncccc2NC(=O)[*:1])c1C
CCc1noc(C)c1C(=O)Nc1cccnc1Oc1cccc(C)c1C Cc1cccc(c1C)[*:1] CCc1noc(C)c1C(=O)Nc1cccnc1O[*:1]
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1nc2[C@H](CCCn2n1)NC(=O)c1ccnc(c1)O[*:1]
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] Cc1nc2[C@H](CCCn2n1)NC(=O)c1ccnc(c1)[*:1]
COc1cccc(C[NH+]2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)c1OC FC(F)(F)[*:1] COc1cccc(C[NH+]2CCC(CC2)c2cc(c3c(C)noc3n2)[*:1])c1OC
COc1cccc(C[NH+]2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)c1OC COc1cccc(c1OC)[*:1] Cc1noc2nc(cc(c12)C(F)(F)F)C1CC[NH+](CC1)C[*:1]
COc1ccc(/C=C\C(=O)[C@H](C#N)c2ccccn2)cc1OC c1ccc(nc1)[*:1] COc1ccc(/C=C\C(=O)[C@H](C#N)[*:1])cc1OC
CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 Clc1cccc(c1Cl)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)Nc1ccc(C)cn1)[*:1]
CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 Cc1ccc(nc1)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)N[*:1])c1cccc(Cl)c1Cl
CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 Cc1ccc(nc1)NC(=O)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1[*:1])c1cccc(Cl)c1Cl
C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H]([NH2+][C@@H]1CCN(C1=O)c1ccc(Cl)cc1)[*:1]
C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cnn(C)c1 Clc1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H]1CCN(C1=O)[*:1])c1cnn(C)c1
Brc1ccc(CNC[C@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)s1 Brc1ccc(s1)[*:1] C1CC[C@@H]2CC[C@H](CNC[*:1])[NH2+][C@H]2C1
CSC(C)(C)CNC(=O)c1ccc(=O)n(C)c1 CSC(C)(C)[*:1] Cn1cc(ccc1=O)C(=O)NC[*:1]
Cc1ccccc1OCc1ccc(C(N)=O)cc1N NC(=O)[*:1] Cc1ccccc1OCc1ccc(cc1N)[*:1]
Cc1noc(Cn2ccc3c(C(=O)[O-])cccc32)n1 Cc1noc(n1)[*:1] O=C([O-])c1cccc2c1ccn2C[*:1]
Cc1noc(Cn2ccc3c(C(=O)[O-])cccc32)n1 O=C([O-])[*:1] Cc1noc(Cn2ccc3c(cccc32)[*:1])n1
CC1(C)CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C1 c1ccc(cc1)[*:1] CC1(C)CCN(C1)C(=O)C[C@@H]([NH3+])[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 O=[N+]([O-])[*:1] C[C@@H]1CN(CCN1c1nc2cc(ccc2[nH]1)[*:1])C(=O)OC(C)(C)C
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 CC(C)(C)[*:1] C[C@@H]1CN(CCN1c1nc2cc(ccc2[nH]1)[N+](=O)[O-])C(=O)O[*:1]
Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2cccc(C#N)c2)no1 Cc1nc(C[*:1])no1 C[C@H](NC(=O)c1ccccc1O[*:1])c1cccc(C#N)c1
Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2cccc(C#N)c2)no1 N#Cc1cccc(c1)[*:1] Cc1nc(COc2ccccc2C(=O)N[C@@H](C)[*:1])no1
Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2cccc(C#N)c2)no1 Cc1nc(no1)[*:1] C[C@H](NC(=O)c1ccccc1OC[*:1])c1cccc(C#N)c1
Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2cccc(C#N)c2)no1 Cc1nc(CO[*:1])no1 C[C@H](NC(=O)c1ccccc1[*:1])c1cccc(C#N)c1
Cc1noc(NC(=O)c2ccc(OCC(F)(F)F)nc2)n1 FC(F)(F)C[*:1] Cc1noc(n1)NC(=O)c1ccc(nc1)O[*:1]
Cc1noc(NC(=O)c2ccc(OCC(F)(F)F)nc2)n1 FC(F)(F)CO[*:1] Cc1noc(n1)NC(=O)c1ccc(nc1)[*:1]
Cc1noc(NC(=O)c2ccc(OCC(F)(F)F)nc2)n1 Cc1noc(n1)[*:1] O=C(N[*:1])c1ccc(nc1)OCC(F)(F)F
Cc1noc(NC(=O)c2ccc(OCC(F)(F)F)nc2)n1 FC(F)(F)[*:1] Cc1noc(n1)NC(=O)c1ccc(nc1)OC[*:1]
CC(C)(C)C[C@H](CO)NC(=O)CSc1ccc(F)cc1 CC(C)(C)C[*:1] O=C(CSc1ccc(F)cc1)N[C@@H](CO)[*:1]
CC(C)(C)C[C@H](CO)NC(=O)CSc1ccc(F)cc1 CC(C)(C)[*:1] O=C(CSc1ccc(F)cc1)N[C@@H](CO)C[*:1]
N#CC[C@]1(C#N)CCCc2ccccc21 N#CC[*:1] N#C[C@@]1(CCCc2ccccc21)[*:1]
COc1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 COc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(nn1)-c1ccc(F)cc1
COc1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 Fc1ccc(cc1)[*:1] COc1ccccc1NC(=O)C1CCN(CC1)c1ccc(nn1)[*:1]
O=C(CSc1nnc(NC[C@H]2CCCO2)s1)c1c[nH]c2ccccc12 C1CO[C@H](C1)CN[*:1] O=C(CSc1nnc(s1)[*:1])c1c[nH]c2ccccc12
CCN(C(=O)C(=O)NCC(N)=S)c1ccccc1C NC(=S)[*:1] CCN(C(=O)C(=O)NC[*:1])c1ccccc1C
CCN(C(=O)C(=O)NCC(N)=S)c1ccccc1C NC(=S)C[*:1] CCN(C(=O)C(=O)N[*:1])c1ccccc1C
C[C@@H](Oc1ccccc1Br)C(=O)Nc1cc(F)ccc1F Brc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)Nc1cc(F)ccc1F
O=C(CNc1cccc(F)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 Fc1cccc(c1)[*:1] O=C(CN[*:1])N(c1ccccc1)[C@H]1CCS(=O)(=O)C1
O=C(CNc1cccc(F)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CNc1cccc(F)c1)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(CNc1cccc(F)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 Fc1cccc(c1)N[*:1] O=C(C[*:1])N(c1ccccc1)[C@H]1CCS(=O)(=O)C1
C[C@H]1Oc2ccccc2N(CC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)C1=O Cn1c(C[*:1])nc2ccccc21 C[C@H]1Oc2ccccc2N(CC(=O)Nc2cccc(c2)C[*:1])C1=O
C[C@H]1Oc2ccccc2N(CC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)C1=O Cn1c(nc2ccccc21)[*:1] C[C@H]1Oc2ccccc2N(CC(=O)Nc2cccc(c2)CC[*:1])C1=O
C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(cc1)[*:1]
C[C@@H](C[C@H]1CCCO1)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](C[C@H]1CCCO1)[NH2+]C1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](C[C@H]1CCCO1)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](C[C@H]1CCCO1)[NH2+]C1CCN(CC1)S(=O)(=O)C[*:1]
C[C@@H](C[C@H]1CCCO1)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 C1CO[C@H](C1)[*:1] C[C@@H](C[*:1])[NH2+]C1CCN(CC1)S(=O)(=O)Cc1ccccc1
Cc1cc(Br)ccc1NC(=O)c1cnc2cc(C(=O)N(C)C)n(C)c2c1 CN(C)C(=O)[*:1] Cc1cc(Br)ccc1NC(=O)c1cnc2cc(n(C)c2c1)[*:1]
Cc1cc(Br)ccc1NC(=O)c1cnc2cc(C(=O)N(C)C)n(C)c2c1 Cc1cc(Br)ccc1[*:1] CN(C)C(=O)c1cc2ncc(cc2n1C)C(=O)N[*:1]
c1ccc(/C(=N\OCc2noc(C3CC3)n2)c2ccco2)cc1 C1CC1[*:1] c1ccc(cc1)/C(=N\OCc1noc(n1)[*:1])c1ccco1
c1ccc(/C(=N\OCc2noc(C3CC3)n2)c2ccco2)cc1 c1coc(c1)[*:1] c1ccc(cc1)C(=NOCc1noc(n1)C1CC1)[*:1]
c1ccc(/C(=N\OCc2noc(C3CC3)n2)c2ccco2)cc1 c1ccc(cc1)[*:1] c1coc(c1)/C(=N/OCc1noc(n1)C1CC1)[*:1]
Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl Cc1ccc(cc1Cl)[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccc(Cl)cc1
Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl Clc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)CN(S(C)(=O)=O)[*:1]
COC(=O)c1c(-c2ccc(F)cc2)noc1Nc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1c(noc1Nc1ccc(Cl)cc1)[*:1]
COC(=O)c1c(-c2ccc(F)cc2)noc1Nc1ccc(Cl)cc1 COC(=O)[*:1] Fc1ccc(cc1)-c1noc(Nc2ccc(Cl)cc2)c1[*:1]
COC(=O)c1c(-c2ccc(F)cc2)noc1Nc1ccc(Cl)cc1 Clc1ccc(cc1)N[*:1] COC(=O)c1c(noc1[*:1])-c1ccc(F)cc1
COC(=O)c1c(-c2ccc(F)cc2)noc1Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)c1c(noc1N[*:1])-c1ccc(F)cc1
CCOc1ncccc1[C@@H](C(=O)[O-])N1CCC([NH+]2CCCCC2)CC1 O=C([O-])[*:1] CCOc1ncccc1[C@@H](N1CCC(CC1)[NH+]1CCCCC1)[*:1]
CCOc1ncccc1[C@@H](C(=O)[O-])N1CCC([NH+]2CCCCC2)CC1 CCO[*:1] O=C([O-])[C@H](c1cccnc1[*:1])N1CCC(CC1)[NH+]1CCCCC1
CC(=O)c1c(C)nn2c3c(cnc12)C(=O)C[C@@H](c1cccc(C)c1)C3 CC(=O)[*:1] Cc1cccc(c1)[C@@H]1CC(=O)c2cnc3c(c(C)nn3c2C1)[*:1]
CC(=O)c1c(C)nn2c3c(cnc12)C(=O)C[C@@H](c1cccc(C)c1)C3 Cc1cccc(c1)[*:1] CC(=O)c1c(C)nn2c3C[C@H](CC(=O)c3cnc12)[*:1]
O=C1NCCCC[C@H]1Sc1nc(-c2ccco2)nc2ccccc12 c1coc(c1)[*:1] O=C1NCCCC[C@H]1Sc1nc(nc2ccccc12)[*:1]
COC(=O)c1cn(-c2ccc(-c3nc(C)no3)cn2)cn1 Cc1noc(n1)[*:1] COC(=O)c1cn(cn1)-c1ccc(cn1)[*:1]
COC(=O)c1cn(-c2ccc(-c3nc(C)no3)cn2)cn1 COC(=O)[*:1] Cc1noc(n1)-c1ccc(nc1)-n1cnc(c1)[*:1]
C=CCN(CC(=O)[O-])c1[nH+]ccn(C)c1=O C=CC[*:1] Cn1cc[nH+]c(c1=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])c1[nH+]ccn(C)c1=O O=C([O-])C[*:1] C=CCN(c1[nH+]ccn(C)c1=O)[*:1]
C=CCN(CC(=O)[O-])c1[nH+]ccn(C)c1=O O=C([O-])[*:1] C=CCN(C[*:1])c1[nH+]ccn(C)c1=O
COc1cccc(-c2nc(C(=O)N3CC[C@H](C)[C@H](O)C3)c(C)[nH]2)c1 COc1cccc(c1)[*:1] Cc1[nH]c(nc1C(=O)N1CC[C@H](C)[C@H](O)C1)[*:1]
CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 Fc1ccc(cc1F)[*:1] CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(cs1)[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 CCCC[*:1] C[C@@H]1CC[C@@H](CN1C(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 CCCCNC(=O)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)Cc1ccc(Cl)c(Cl)c1)[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 CCC[*:1] C[C@@H]1CC[C@@H](CN1C(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)NC[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 Clc1ccc(cc1Cl)[*:1] CCCCNC(=O)[C@H]1CC[C@@H](C)N(C1)C(=O)C[*:1]
COc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc2c1OCCO2 CC(=O)c1ccc(cc1)[*:1] COc1cc(cc2OCCOc12)C(=O)N1CCN(CC1)[*:1]
COc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc2c1OCCO2 CC(=O)[*:1] COc1cc(cc2OCCOc12)C(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@]23C(=O)Nc2c(Cl)cccc23)cc1 COc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@]2(C(=O)Nc3c(Cl)cccc32)N1[*:1]
Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 c1cnnc(c1)[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCCN(C1)[*:1]
Nc1c(-c2cccc(C3CC3)c2)nc2ccc(Cl)cn12 C1CC1[*:1] Nc1c(nc2ccc(Cl)cn12)-c1cccc(c1)[*:1]
C[C@H](NC(=O)C[C@@H]1SC(N)=NC1=O)C(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)C[C@@H]1SC(N)=NC1=O)[*:1]
CC(C)c1cc(NC(=O)C(=O)N[C@H](c2ccccc2F)C2CCCC2)no1 C1CCC(C1)[*:1] CC(C)c1cc(no1)NC(=O)C(=O)N[C@H](c1ccccc1F)[*:1]
CC(C)c1cc(NC(=O)C(=O)N[C@H](c2ccccc2F)C2CCCC2)no1 CC(C)[*:1] O=C(Nc1cc(on1)[*:1])C(=O)N[C@H](c1ccccc1F)C1CCCC1
CC(C)c1cc(NC(=O)C(=O)N[C@H](c2ccccc2F)C2CCCC2)no1 Fc1ccccc1[*:1] CC(C)c1cc(no1)NC(=O)C(=O)N[C@H](C1CCCC1)[*:1]
CC(C)c1cc(NC(=O)C(=O)N[C@H](c2ccccc2F)C2CCCC2)no1 CC(C)c1cc(no1)[*:1] O=C(N[C@H](c1ccccc1F)C1CCCC1)C(=O)N[*:1]
COc1ccc(CCCC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)CCC[*:1]
COc1ccc(CCCC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)CCCC(=O)Nc1ccc(cc1)[*:1]
Cn1nc(-c2cccnc2)c2[nH]c(-c3cccc(CN4CCOCC4)c3)nc21 c1cncc(c1)[*:1] Cn1nc(c2[nH]c(nc21)-c1cccc(c1)CN1CCOCC1)[*:1]
Cn1nc(-c2cccnc2)c2[nH]c(-c3cccc(CN4CCOCC4)c3)nc21 C1CN(CCO1)C[*:1] Cn1nc(-c2cccnc2)c2[nH]c(nc21)-c1cccc(c1)[*:1]
Cn1nc(-c2cccnc2)c2[nH]c(-c3cccc(CN4CCOCC4)c3)nc21 C1CN(CCO1)[*:1] Cn1nc(-c2cccnc2)c2[nH]c(nc21)-c1cccc(c1)C[*:1]
COc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccccc4F)[C@H]32)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)[C@H]1Oc2ccccc2C2=Nc3ncnn3[C@@H]([C@H]21)[*:1]
COc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccccc4F)[C@H]32)cc1OC COc1ccc(cc1OC)[*:1] Fc1ccccc1[C@H]1[C@@H]2C(=Nc3ncnn31)c1ccccc1O[C@@H]2[*:1]
Cn1cc(N2CCC[C@@H](SCc3noc4c3CCCC4)C2=O)cn1 Cn1cc(cn1)[*:1] O=C1[C@@H](CCCN1[*:1])SCc1noc2CCCCc12
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)Nc1ccccc1
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc(cc1)-c1ccccc1)C(=O)N[*:1]
C[NH+](CCCC(=O)Nc1ccc(Cl)c(N)c1)C1CCCC1 C1CCC(C1)[*:1] C[NH+](CCCC(=O)Nc1ccc(Cl)c(N)c1)[*:1]
COc1ccc2c(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3)sc2c1 O=[N+]([O-])[*:1] COc1ccc2c(Cl)c(sc2c1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(-c2[nH]nc(S(C)(=O)=O)c2C#N)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)-c1[nH]nc(c1C#N)[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccnc2)c(OC)c1 Cc1ccc(cc1)C(=O)[*:1] COc1ccc(c(c1)OC)[C@H]1C(=C(O)C(=O)N1c1cccnc1)[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccnc2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(c2cccnc2)[C@H]1[*:1]
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccnc2)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1C(C(=O)[*:1])=C(O)C(=O)N1c1cccnc1
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccnc2)c(OC)c1 c1cncc(c1)[*:1] COc1ccc(c(c1)OC)[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1[*:1]
COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(F)cc2)cc(OC)c1OC Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
C/C=C/C(=O)N1Cc2nn(-c3cccc(C)c3)c(-n3cccc3)c2C1 c1ccn(c1)[*:1] C/C=C/C(=O)N1Cc2nn(-c3cccc(C)c3)c(c2C1)[*:1]
C/C=C/C(=O)N1Cc2nn(-c3cccc(C)c3)c(-n3cccc3)c2C1 Cc1cccc(c1)[*:1] C/C=C/C(=O)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
C/C=C/C(=O)N1Cc2nn(-c3cccc(C)c3)c(-n3cccc3)c2C1 CC=C[*:1] Cc1cccc(c1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)C1CCCC1 C1CCC(C1)[*:1] O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)[*:1]
O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)C1CCCC1 O=C1CCC[C@H]1[*:1] O=C(C1CCCC1)N1CCC[C@@H]1[*:1]
Cc1ccc2nc(-c3ccccc3NC(=O)C3CC3)ccc2c1 O=C(N[*:1])C1CC1 Cc1ccc2nc(ccc2c1)-c1ccccc1[*:1]
Cc1ccc2nc(-c3ccccc3NC(=O)C3CC3)ccc2c1 C1CC1[*:1] Cc1ccc2nc(ccc2c1)-c1ccccc1NC(=O)[*:1]
CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 CCO[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 CCOc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CNC(=O)c1ccc(NCCc2ccccc2Cl)c([N+](=O)[O-])c1 Clc1ccccc1[*:1] CNC(=O)c1ccc(NCC[*:1])c(c1)[N+](=O)[O-]
CNC(=O)c1ccc(NCCc2ccccc2Cl)c([N+](=O)[O-])c1 CNC(=O)[*:1] O=[N+]([O-])c1cc(ccc1NCCc1ccccc1Cl)[*:1]
CNC(=O)c1ccc(NCCc2ccccc2Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(NCCc2ccccc2Cl)c(c1)[*:1]
O=C(O[C@H]1CCCc2ccccc21)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] O=C(O[C@H]1CCCc2ccccc21)c1cnc(s1)[*:1]
CC(C)[C@@H](C)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl CC(C)[*:1] C[C@@H](NS(=O)(=O)c1c(N)cc(Cl)cc1Cl)[*:1]
CC(C)[C@@H](C)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl CC(C)[C@@H](C)[*:1] Nc1cc(Cl)cc(Cl)c1S(=O)(=O)N[*:1]
CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 CCS[*:1] CCc1cc(c(s1)[*:1])[C@@H]1C(C#N)=C(N)N(C2CC(C)(C)CC(=O)C=21)c1cccnc1
CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 CCSc1sc(cc1[*:1])CC CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2[*:1])c1cccnc1
CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 c1cncc(c1)[*:1] CCSc1sc(cc1[C@@H]1C(C#N)=C(N)N(C2CC(C)(C)CC(=O)C=21)[*:1])CC
CC(C)C[C@H]([NH3+])C(=O)N/N=C/c1ccc[nH]1 CC(C)[*:1] [NH3+][C@@H](C[*:1])C(=O)N/N=C/c1ccc[nH]1
CC(C)C[C@H]([NH3+])C(=O)N/N=C/c1ccc[nH]1 c1c[nH]c(c1)[*:1] CC(C)C[C@H]([NH3+])C(=O)NN=C[*:1]
CC(C)C[C@H]([NH3+])C(=O)N/N=C/c1ccc[nH]1 CC(C)C[*:1] [NH3+][C@H](C(=O)N/N=C/c1ccc[nH]1)[*:1]
O=C([C@H]1N=NC2=C1CCc1ccccc12)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C([C@H]1N=NC2=C1CCc1ccccc12)N1CCN(CC1)[*:1]
CC(C)CC[C@H](C(=O)[O-])c1ccc(F)cc1 CC(C)C[*:1] O=C([O-])[C@@H](C[*:1])c1ccc(F)cc1
CC(C)CC[C@H](C(=O)[O-])c1ccc(F)cc1 CC(C)[*:1] O=C([O-])[C@@H](CC[*:1])c1ccc(F)cc1
CC(C)CC[C@H](C(=O)[O-])c1ccc(F)cc1 CC(C)CC[*:1] O=C([O-])[C@H](c1ccc(F)cc1)[*:1]
CC(C)CC[C@H](C(=O)[O-])c1ccc(F)cc1 O=C([O-])[*:1] CC(C)CC[C@H](c1ccc(F)cc1)[*:1]
Cc1ccc(C)c(-c2ccc(N3CCC(O)CC3)nn2)c1 OC1CCN(CC1)[*:1] Cc1ccc(C)c(c1)-c1ccc(nn1)[*:1]
C[C@@]([NH3+])(CCCSC1COC1)C(N)=O NC(=O)[*:1] C[C@@]([NH3+])(CCCSC1COC1)[*:1]
C[C@@]([NH3+])(CCCSC1COC1)C(N)=O C1OCC1[*:1] C[C@@]([NH3+])(CCCS[*:1])C(N)=O
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCc2c1cnn2C N#Cc1cccc(c1)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCCc2c1cnn2C
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H]1CC=CCC1 CNC(=O)[*:1] C[C@@H](CN(C)C(=O)[C@H]1CC=CCC1)[*:1]
CC[C@@](C)(NC(=O)c1[nH]nc(C2CC2)c1Cl)c1nccs1 c1csc(n1)[*:1] CC[C@@](C)(NC(=O)c1[nH]nc(c1Cl)C1CC1)[*:1]
CC[C@@](C)(NC(=O)c1[nH]nc(C2CC2)c1Cl)c1nccs1 C1CC1[*:1] CC[C@@](C)(NC(=O)c1[nH]nc(c1Cl)[*:1])c1nccs1
C[C@H]1CC(C(=O)Nc2nnc(CC3CCCCC3)s2)C[C@H](C)O1 C1CCC(CC1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1nnc(C[*:1])s1
C[C@H]1CC(C(=O)Nc2nnc(CC3CCCCC3)s2)C[C@H](C)O1 C1CCC(CC1)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1nnc(s1)[*:1]
COCCN(Cc1cc(C#N)cs1)[C@@H](C)C(N)=O COCC[*:1] C[C@@H](C(N)=O)N(Cc1cc(C#N)cs1)[*:1]
COCCN(Cc1cc(C#N)cs1)[C@@H](C)C(N)=O COC[*:1] C[C@@H](C(N)=O)N(Cc1cc(C#N)cs1)C[*:1]
COCCN(Cc1cc(C#N)cs1)[C@@H](C)C(N)=O NC(=O)[*:1] COCCN(Cc1cc(C#N)cs1)[C@@H](C)[*:1]
COCCN(Cc1cc(C#N)cs1)[C@@H](C)C(N)=O C[C@@H](C(N)=O)[*:1] COCCN(Cc1cc(C#N)cs1)[*:1]
CN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1Cc2ccccc2O1 CN(C)C(=O)[*:1] O=C([C@@H]1Cc2ccccc2O1)N1CSC[C@@H]1[*:1]
CC(C)Cn1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)N2CCC[C@H](c3ccccc3)C2)c1 c1coc(c1)[*:1] CC(C)Cn1cc(C(=O)NC[*:1])c(=O)c(c1)C(=O)N1CCC[C@@H](C1)c1ccccc1
CC(C)Cn1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)N2CCC[C@H](c3ccccc3)C2)c1 CC(C)C[*:1] O=C(NCc1ccco1)c1cn(cc(C(=O)N2CCC[C@@H](C2)c2ccccc2)c1=O)[*:1]
CC(C)Cn1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)N2CCC[C@H](c3ccccc3)C2)c1 CC(C)[*:1] O=C(NCc1ccco1)c1cn(cc(C(=O)N2CCC[C@@H](C2)c2ccccc2)c1=O)C[*:1]
CC(C)Cn1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)N2CCC[C@H](c3ccccc3)C2)c1 c1ccc(cc1)[*:1] CC(C)Cn1cc(C(=O)NCc2ccco2)c(=O)c(c1)C(=O)N1CCC[C@H](C1)[*:1]
CC(C)Cn1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)N2CCC[C@H](c3ccccc3)C2)c1 c1coc(c1)C[*:1] CC(C)Cn1cc(C(=O)N[*:1])c(=O)c(c1)C(=O)N1CCC[C@@H](C1)c1ccccc1
CC(C)Cn1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)N2CCC[C@H](c3ccccc3)C2)c1 O=C(NCc1ccco1)[*:1] CC(C)Cn1cc(C(=O)N2CCC[C@@H](C2)c2ccccc2)c(=O)c(c1)[*:1]
CCOc1ncccc1C(=O)Nc1ccnc2ccnn12 CCO[*:1] O=C(Nc1ccnc2ccnn12)c1cccnc1[*:1]
Cc1cccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2cccs2)c1 c1csc(c1)[*:1] Cc1cccc(c1)-n1nc(C)c2c1NC(=O)[C@H](C)S[C@H]2[*:1]
Cc1cccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2cccs2)c1 Cc1cccc(c1)[*:1] Cc1nn(c2NC(=O)[C@H](C)S[C@H](c3cccs3)c12)[*:1]
CN(CCCNC(=O)c1ncoc1-c1ccccc1F)c1ccccc1 Fc1ccccc1[*:1] CN(CCCNC(=O)c1ncoc1[*:1])c1ccccc1
CN(CCCNC(=O)c1ncoc1-c1ccccc1F)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCNC(=O)c1ncoc1-c1ccccc1F)[*:1]
CN(CCCNC(=O)c1ncoc1-c1ccccc1F)c1ccccc1 CN(c1ccccc1)[*:1] O=C(NCCC[*:1])c1ncoc1-c1ccccc1F
O=S(=O)(N[C@H](CO)c1ccc(Cl)cc1)c1ccccc1F Fc1ccccc1[*:1] O=S(=O)(N[C@H](CO)c1ccc(Cl)cc1)[*:1]
O=S(=O)(N[C@H](CO)c1ccc(Cl)cc1)c1ccccc1F Clc1ccc(cc1)[*:1] O=S(=O)(N[C@H](CO)[*:1])c1ccccc1F
O=C1NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2O)N1 O=[N+]([O-])[*:1] O=C1NC(=O)/C(=C\c2cccc(c2O)[*:1])N1
N#Cc1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccc(F)c5)n4)CO[C@H]23)c1 Fc1cccc(c1)[*:1] N#Cc1cccc(c1)NC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)Nc1nccc(n1)[*:1]
N#Cc1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccc(F)c5)n4)CO[C@H]23)c1 N#Cc1cccc(c1)[*:1] O=C(N[*:1])O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)Nc1nccc(n1)-c1cccc(F)c1
Cc1ccc(NC(=O)CN2CCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)NC(=O)CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(NC(=O)CN2CCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1cccs1)N[*:1]
Cc1ccc(NC(=O)CN2CCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C(c1cccs1)N1CCC(CC1)C(=O)N1CCN(CC1)C[*:1]
CC[C@H](O)[C@@H](C)[C@@H]1CS(=O)(=O)C[C@@H]1O CC[C@H](O)[*:1] C[C@@H]([C@@H]1CS(=O)(=O)C[C@@H]1O)[*:1]
Nc1nc(CSc2ncc(Cl)cc2Cl)nc(Nc2ccccc2)n1 Clc1cnc(c(Cl)c1)[*:1] Nc1nc(CS[*:1])nc(n1)Nc1ccccc1
Nc1nc(CSc2ncc(Cl)cc2Cl)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] Nc1nc(CSc2ncc(Cl)cc2Cl)nc(n1)N[*:1]
Nc1nc(CSc2ncc(Cl)cc2Cl)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] Nc1nc(CSc2ncc(Cl)cc2Cl)nc(n1)[*:1]
O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C=C(c3ccccn3)N=N2)C1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)c1ccccn1
O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C=C(c3ccccn3)N=N2)C1 c1ccc(nc1)[*:1] O=C(NC1CCCCC1)[C@@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)[*:1]
O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C=C(c3ccccn3)N=N2)C1 O=C(NC1CCCCC1)[*:1] O=C([C@@H]1C=C(N=N1)c1ccccn1)N1CCC[C@H](C1)[*:1]
CCOC(=O)c1nn(CC(C)C)c2c1CN(CC1[NH+]=c3ccccc3=[NH+]1)CC2 CC(C)[*:1] CCOC(=O)c1nn(C[*:1])c2CCN(Cc12)CC1[NH+]=c2ccccc2=[NH+]1
CCOC(=O)c1nn(CC(C)C)c2c1CN(CC1[NH+]=c3ccccc3=[NH+]1)CC2 CC(C)C[*:1] CCOC(=O)c1nn(c2CCN(Cc12)CC1[NH+]=c2ccccc2=[NH+]1)[*:1]
CCOC(=O)c1nn(CC(C)C)c2c1CN(CC1[NH+]=c3ccccc3=[NH+]1)CC2 CCOC(=O)[*:1] CC(C)Cn1nc(c2CN(CCc21)CC1[NH+]=c2ccccc2=[NH+]1)[*:1]
O=C(Nc1ccccc1-c1ccccc1)c1ccc[nH]1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc[nH]1
O=C(Nc1ccccc1-c1ccccc1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(Nc1ccccc1-c1ccccc1)[*:1]
Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 O=C(N[*:1])c1ccoc1 Cn1nc(cc1C(=O)N1CCc2nc(sc2C1)[*:1])-c1ccccc1
Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 c1ccc(cc1)[*:1] Cn1nc(cc1C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1)[*:1]
Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 c1cc(co1)[*:1] Cn1nc(cc1C(=O)N1CCc2nc(NC(=O)[*:1])sc2C1)-c1ccccc1
CSc1ncc(Cl)c(C(=O)O[C@@H](C)C(=O)c2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] CSc1ncc(Cl)c(n1)C(=O)O[C@@H](C)C(=O)[*:1]
Cc1nn(C)c2c1nc(N)n2[C@@H](C)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn(C)c2c1nc(N)n2[C@@H](C)C[*:1]
Cc1n[nH]c(C)c1N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1n[nH]c(C)c1N[C@@H]1CC[C@@H](C1)NC(=O)O[*:1]
Cc1n[nH]c(C)c1N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 Cc1n[nH]c(C)c1[*:1] CC(C)(C)OC(=O)N[C@H]1CC[C@H](C1)N[*:1]
COc1cccc(CNC(=O)COC(=O)c2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] COc1cccc(c1)CNC(=O)COC(=O)[*:1]
COc1cccc(CNC(=O)COC(=O)c2ccc(C)c(C)c2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1C)C(=O)OCC(=O)NC[*:1]
CC1=C2C=C(C(=O)NCCCc3[nH]nc(N)c3C#N)S[C@H]2N(Cc2ccc(C)cc2)N1 N#Cc1c(N)n[nH]c1C[*:1] CC1NN(Cc2ccc(C)cc2)[C@@H]2SC(=CC=12)C(=O)NCC[*:1]
CC1=C2C=C(C(=O)NCCCc3[nH]nc(N)c3C#N)S[C@H]2N(Cc2ccc(C)cc2)N1 Cc1ccc(cc1)[*:1] CC1NN(C[*:1])[C@@H]2SC(=CC=12)C(=O)NCCCc1[nH]nc(N)c1C#N
CC1=C2C=C(C(=O)NCCCc3[nH]nc(N)c3C#N)S[C@H]2N(Cc2ccc(C)cc2)N1 N#Cc1c(N)n[nH]c1[*:1] CC1NN(Cc2ccc(C)cc2)[C@@H]2SC(=CC=12)C(=O)NCCC[*:1]
CC1=C2C=C(C(=O)NCCCc3[nH]nc(N)c3C#N)S[C@H]2N(Cc2ccc(C)cc2)N1 Cc1ccc(cc1)C[*:1] CC1NN([C@@H]2SC(=CC=12)C(=O)NCCCc1[nH]nc(N)c1C#N)[*:1]
CC1=C2C=C(C(=O)NCCCc3[nH]nc(N)c3C#N)S[C@H]2N(Cc2ccc(C)cc2)N1 N#Cc1c(N)n[nH]c1CC[*:1] CC1NN(Cc2ccc(C)cc2)[C@@H]2SC(=CC=12)C(=O)NC[*:1]
NS(=O)(=O)CCCNC(=O)COc1ccccc1 NS(=O)(=O)C[*:1] O=C(COc1ccccc1)NCC[*:1]
NS(=O)(=O)CCCNC(=O)COc1ccccc1 c1ccc(cc1)[*:1] NS(=O)(=O)CCCNC(=O)CO[*:1]
NS(=O)(=O)CCCNC(=O)COc1ccccc1 NS(=O)(=O)[*:1] O=C(COc1ccccc1)NCCC[*:1]
NS(=O)(=O)CCCNC(=O)COc1ccccc1 NS(=O)(=O)CC[*:1] O=C(COc1ccccc1)NC[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccs2)N1Cc1ccco1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2cccs2)N1Cc1ccco1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccs1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccs1)[*:1]
COc1ccc(NC(=O)[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3C=c4ccccc4=[NH+]3)CC2)C(C)C)cc1 COc1ccc(cc1)NC(=O)[*:1] CC(C)[C@H](NC(=O)N1CCN(CC1)C(=O)[C@@H]1C=c2ccccc2=[NH+]1)[*:1]
COc1ccc(NC(=O)[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3C=c4ccccc4=[NH+]3)CC2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)N1CCN(CC1)C(=O)[C@@H]1C=c2ccccc2=[NH+]1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3C=c4ccccc4=[NH+]3)CC2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)[C@@H](NC(=O)N1CCN(CC1)C(=O)[C@@H]1C=c2ccccc2=[NH+]1)[*:1]
Cc1cccc(N[C@@H](C)C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N[C@@H](C)C(=O)N[*:1]
CC(C)[S@@](=O)c1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)[S@](=O)[*:1])N1CC[NH+](CC1)C1CC1
CC(C)[S@@](=O)c1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1 CC(C)[S@@](=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CC[NH+](CC1)C1CC1
CC(C)[S@@](=O)c1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1 C1CC1[*:1] CC(C)[S@@](=O)c1ccc(cc1)C(=O)N1CC[NH+](CC1)[*:1]
O=C(CCn1nc2ccccn2c1=O)N1CCC[C@H](n2cncn2)C1 c1ncn(n1)[*:1] O=C(CCn1nc2ccccn2c1=O)N1CCC[C@H](C1)[*:1]
C1CCC([NH2+]C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 C1CCC(CC1)[*:1] C1CC[C@@H]2[NH2+][C@@H](CC[C@@H]2C1)C[NH2+][*:1]
N#Cc1ccc(N(C(=O)CSCc2cccnc2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)CSCc1cccnc1)[*:1]
N#Cc1ccc(N(C(=O)CSCc2cccnc2)C2CC2)cc1 c1cncc(c1)[*:1] N#Cc1ccc(cc1)N(C(=O)CSC[*:1])C1CC1
N#Cc1ccc(N(C(=O)CSCc2cccnc2)C2CC2)cc1 c1cncc(c1)C[*:1] N#Cc1ccc(cc1)N(C(=O)CS[*:1])C1CC1
Cc1ccsc1C(=O)NCc1cn2cc(Cl)ccc2n1 Cc1ccsc1[*:1] O=C(NCc1cn2cc(Cl)ccc2n1)[*:1]
C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)CCC#N CN(CCC#N)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)[*:1]
C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)CCC#N N#CC[*:1] C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)C[*:1]
C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)CCC#N N#CCC[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)N(C)[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1csc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1cc(ccc1F)[N+](=O)[O-])c1csc(C[*:1])n1
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1csc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(Nc1cc(ccc1F)[N+](=O)[O-])c1csc(n1)[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1csc(Cc2ccccc2)n1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1F)[*:1])c1csc(Cc2ccccc2)n1
CC[C@@H]1CCC[C@@]2(C[NH+]=C(N)N2C2CCCC2)C1 C1CCC(C1)[*:1] CC[C@@H]1CCC[C@@]2(C[NH+]=C(N)N2[*:1])C1
CCOCCNc1nnnn1-c1ccc(C)cc1 CCOCC[*:1] Cc1ccc(cc1)-n1nnnc1N[*:1]
CCOCCNc1nnnn1-c1ccc(C)cc1 CCO[*:1] Cc1ccc(cc1)-n1nnnc1NCC[*:1]
CCOCCNc1nnnn1-c1ccc(C)cc1 CCOCCN[*:1] Cc1ccc(cc1)-n1nnnc1[*:1]
CCOCCNc1nnnn1-c1ccc(C)cc1 CCOC[*:1] Cc1ccc(cc1)-n1nnnc1NC[*:1]
C[C@H](OC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1)[C@@H]1CCOC1 c1ccc(cc1)[*:1] C[C@H](OC(=O)[C@]1(C)CCCN1C(=O)[*:1])[C@@H]1CCOC1
CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 CC[C@H](C)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1coc(n1)-c1cccc(Cl)c1
CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 CC[C@H](C)NC(=O)[*:1] C[C@H](S(=O)(=O)Cc1coc(n1)-c1cccc(Cl)c1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1coc(n1)[*:1]
C=CC[C@@H](Cc1onc(C)c1I)c1onc(C)c1I C=CC[*:1] Cc1noc(C[C@@H](c2onc(C)c2I)[*:1])c1I
CC1(C)C[C@](CC(=O)[O-])([NH+]2CCCC2)C(C)(C)O1 O=C([O-])C[*:1] CC1(C)C[C@]([NH+]2CCCC2)(C(C)(C)O1)[*:1]
CC1(C)C[C@](CC(=O)[O-])([NH+]2CCCC2)C(C)(C)O1 O=C([O-])[*:1] CC1(C)C[C@](C[*:1])([NH+]2CCCC2)C(C)(C)O1
Cc1cscc1/C([O-])=N/S(=O)(=O)c1ccc2c(c1)CCCO2 Cc1cscc1[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1ccc2OCCCc2c1
COc1ccc(CN(C)C(=O)COC(=O)c2cccc(C)c2C)cc1F Cc1cccc(c1C)[*:1] COc1ccc(cc1F)CN(C)C(=O)COC(=O)[*:1]
CC1=N[C@@H](CN(C)C(=O)[C@H]2C=C(COc3ccc(C)c(C)c3)ON2)N=C1 Cc1ccc(cc1C)[*:1] CC1C=N[C@H](CN(C)C(=O)[C@H]2C=C(CO[*:1])ON2)N=1
CN(CC(F)(F)F)C(=O)CNc1ncnc2[nH]cnc12 FC(F)(F)[*:1] CN(C[*:1])C(=O)CNc1ncnc2[nH]cnc12
CN(CC(F)(F)F)C(=O)CNc1ncnc2[nH]cnc12 FC(F)(F)C[*:1] CN(C(=O)CNc1ncnc2[nH]cnc12)[*:1]
O=C(NCc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 c1ccc(cc1)C[*:1] O=C(N[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
O=C(NCc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 c1ccc(cc1)[*:1] O=C(NC[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
COC(=O)[C@H](C)CNC(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)[*:1] COC(=O)[C@H](C)CNC(=O)Nc1ccc(O[*:1])c(F)c1
COC(=O)[C@H](C)CNC(=O)Nc1ccc(OC(F)F)c(F)c1 COC(=O)[*:1] C[C@H](CNC(=O)Nc1ccc(OC(F)F)c(F)c1)[*:1]
COC(=O)[C@H](C)CNC(=O)Nc1ccc(OC(F)F)c(F)c1 COC(=O)[C@H](C)[*:1] O=C(NC[*:1])Nc1ccc(OC(F)F)c(F)c1
COC(=O)[C@H](C)CNC(=O)Nc1ccc(OC(F)F)c(F)c1 COC(=O)[C@H](C)C[*:1] O=C(Nc1ccc(OC(F)F)c(F)c1)N[*:1]
COC(=O)[C@H](C)CNC(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)O[*:1] COC(=O)[C@H](C)CNC(=O)Nc1ccc(c(F)c1)[*:1]
C[C@@H](Nc1ncnc(N[C@H](C)c2ccccc2)c1[N+](=O)[O-])c1ccccc1 C[C@@H](c1ccccc1)[*:1] C[C@@H](Nc1ncnc(N[*:1])c1[N+](=O)[O-])c1ccccc1
C[C@@H](Nc1ncnc(N[C@H](C)c2ccccc2)c1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] C[C@@H](Nc1ncnc(N[C@H](C)c2ccccc2)c1[*:1])c1ccccc1
C[C@@H](Nc1ncnc(N[C@H](C)c2ccccc2)c1[N+](=O)[O-])c1ccccc1 C[C@@H](N[*:1])c1ccccc1 C[C@@H](Nc1ncnc(c1[N+](=O)[O-])[*:1])c1ccccc1
C[C@@H](Nc1ncnc(N[C@H](C)c2ccccc2)c1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1ncnc(N[C@H](C)[*:1])c1[N+](=O)[O-])c1ccccc1
CC(C)c1[nH+]ccn1Cc1cc(C(=O)N2CCC(=O)NC[C@@H]2C)[nH]n1 CC(C)[*:1] C[C@H]1CNC(=O)CCN1C(=O)c1cc(Cn2cc[nH+]c2[*:1])n[nH]1
O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)no1 Brc1ccc(s1)[*:1] O=S(=O)(N1CCC[C@@H]1c1nc(no1)-c1ccc(F)cc1)[*:1]
O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]1c1nc(no1)[*:1]
CC(C)CCN1NC2(CCCC2)NC1=S CC(C)C[*:1] S=C1NC2(CCCC2)NN1C[*:1]
CC(C)CCN1NC2(CCCC2)NC1=S CC(C)CC[*:1] S=C1NC2(CCCC2)NN1[*:1]
CC(C)CCN1NC2(CCCC2)NC1=S CC(C)[*:1] S=C1NC2(CCCC2)NN1CC[*:1]
O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cc(nn1[*:1])C1CC1
O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cc(C2CC2)nn1-c1ccccc1 C1CC1[*:1] O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cc(nn1-c1ccccc1)[*:1]
COc1ccccc1[C@H](CNc1ncnc2c1cnn2C)[NH+]1CCCC1 COc1ccccc1[*:1] Cn1ncc2c(ncnc21)NC[C@H]([NH+]1CCCC1)[*:1]
CC(C)(C)[NH2+]C/C=C/c1cc(Br)ccc1OC(F)F FC(F)O[*:1] CC(C)(C)[NH2+]C/C=C/c1cc(Br)ccc1[*:1]
CC(C)(C)[NH2+]C/C=C/c1cc(Br)ccc1OC(F)F FC(F)[*:1] CC(C)(C)[NH2+]C/C=C/c1cc(Br)ccc1O[*:1]
CC(C)(C)[NH2+]C/C=C/c1cc(Br)ccc1OC(F)F CC(C)(C)[*:1] FC(F)Oc1ccc(Br)cc1/C=C/C[NH2+][*:1]
Cc1nc(CC(=O)Nc2cccc(-c3cn[nH]c3)c2)cs1 c1n[nH]cc1[*:1] Cc1nc(cs1)CC(=O)Nc1cccc(c1)[*:1]
Cc1nc(CC(=O)Nc2cccc(-c3cn[nH]c3)c2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])Nc1cccc(c1)-c1cn[nH]c1
Cc1nc(CC(=O)Nc2cccc(-c3cn[nH]c3)c2)cs1 Cc1nc(cs1)C[*:1] O=C(Nc1cccc(c1)-c1cn[nH]c1)[*:1]
CCCCCCN1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O CCCCC[*:1] C[C@]12C(=O)N(C[*:1])C(=O)N1CCc1c2[nH]c2ccccc12
CCCCCCN1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O CCC[*:1] C[C@]12C(=O)N(CCC[*:1])C(=O)N1CCc1c2[nH]c2ccccc12
CCCCCCN1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O CCCCCC[*:1] C[C@]12C(=O)N(C(=O)N1CCc1c2[nH]c2ccccc12)[*:1]
CCCCCCN1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O CCCC[*:1] C[C@]12C(=O)N(CC[*:1])C(=O)N1CCc1c2[nH]c2ccccc12
CC[C@@H](c1ccccc1)N1Cc2cc(NS(=O)(=O)c3ccc(C)c(F)c3)ccc2OCC1=O Cc1ccc(cc1F)[*:1] CC[C@@H](c1ccccc1)N1Cc2cc(ccc2OCC1=O)NS(=O)(=O)[*:1]
CC[C@@H](c1ccccc1)N1Cc2cc(NS(=O)(=O)c3ccc(C)c(F)c3)ccc2OCC1=O c1ccc(cc1)[*:1] CC[C@@H](N1Cc2cc(ccc2OCC1=O)NS(=O)(=O)c1ccc(C)c(F)c1)[*:1]
CC(C)(C)C(=O)N1CCN(C(=O)NCc2ccccn2)CC1 c1ccc(C[*:1])nc1 CC(C)(C)C(=O)N1CCN(CC1)C(=O)N[*:1]
CC(C)(C)C(=O)N1CCN(C(=O)NCc2ccccn2)CC1 c1ccc(nc1)[*:1] CC(C)(C)C(=O)N1CCN(CC1)C(=O)NC[*:1]
CC(C)(C)C(=O)N1CCN(C(=O)NCc2ccccn2)CC1 CC(C)(C)[*:1] O=C(NCc1ccccn1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc([C@@H](C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)N(C)C)cc1 Cc1ccc(cc1)[*:1] CN(C)[C@H](C(=O)N1CCN(CC1)S(=O)(=O)N(C)C)[*:1]
Cc1ccc([C@@H](C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)N(C)C)cc1 CN(C)[*:1] Cc1ccc(cc1)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)N(C)C)[*:1]
COCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Br)cc2)C3=O)C1 COCCC[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3ccc(Br)cc3)Oc21)[*:1]
COCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Br)cc2)C3=O)C1 Brc1ccc(cc1)[*:1] COCCCN1COc2c(cc3C(=O)C(=C[*:1])Oc3c2C)C1
COCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Br)cc2)C3=O)C1 COCC[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3ccc(Br)cc3)Oc21)C[*:1]
COCCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(Br)cc2)C3=O)C1 COC[*:1] Cc1c2OCN(CC[*:1])Cc2cc2C(=O)/C(=C/c3ccc(Br)cc3)Oc21
C[C@@H]1CN(c2nc3ccccc3nc2Cl)CCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H]1CN(CCN1C(=O)O[*:1])c1nc2ccccc2nc1Cl
CC1(C)SC(=S)N(/N=C\c2cccnc2)[C@H]1N(O)C(=O)NC1CCCCC1 c1cncc(c1)[*:1] CC1(C)SC(=S)N(N=C[*:1])[C@H]1N(O)C(=O)NC1CCCCC1
CC1(C)SC(=S)N(/N=C\c2cccnc2)[C@H]1N(O)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC1(C)SC(=S)N(/N=C\c2cccnc2)[C@H]1N(O)C(=O)N[*:1]
COCCN1CC2(CCC1=O)CC[NH+](Cc1nc(C(N)=O)no1)CC2 NC(=O)c1noc(n1)[*:1] COCCN1CC2(CCC1=O)CC[NH+](CC2)C[*:1]
COCCN1CC2(CCC1=O)CC[NH+](Cc1nc(C(N)=O)no1)CC2 COC[*:1] NC(=O)c1noc(C[NH+]2CCC3(CCC(=O)N(C3)C[*:1])CC2)n1
COCCN1CC2(CCC1=O)CC[NH+](Cc1nc(C(N)=O)no1)CC2 COCC[*:1] NC(=O)c1noc(C[NH+]2CCC3(CCC(=O)N(C3)[*:1])CC2)n1
COCCN1CC2(CCC1=O)CC[NH+](Cc1nc(C(N)=O)no1)CC2 NC(=O)[*:1] COCCN1CC2(CCC1=O)CC[NH+](CC2)Cc1nc(no1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)CN1C[C@H](C)O[C@H](C)C1)[*:1]
CCCCCC(=O)Nc1cccc(-c2nn3c(CC)nnc3s2)c1 CCCC[*:1] CCc1nnc2sc(nn12)-c1cccc(c1)NC(=O)C[*:1]
CCCCCC(=O)Nc1cccc(-c2nn3c(CC)nnc3s2)c1 CCCCCC(=O)N[*:1] CCc1nnc2sc(nn12)-c1cccc(c1)[*:1]
CCCCCC(=O)Nc1cccc(-c2nn3c(CC)nnc3s2)c1 CCCCC[*:1] CCc1nnc2sc(nn12)-c1cccc(c1)NC(=O)[*:1]
CCCCCC(=O)Nc1cccc(-c2nn3c(CC)nnc3s2)c1 CCC[*:1] CCc1nnc2sc(nn12)-c1cccc(c1)NC(=O)CC[*:1]
Cc1nc(-c2ccc(NC(=O)NCc3ccnn3C)cc2)cs1 Cn1nccc1[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)NC[*:1]
Cc1nc(-c2ccc(NC(=O)NCc3ccnn3C)cc2)cs1 Cc1nc(cs1)[*:1] Cn1nccc1CNC(=O)Nc1ccc(cc1)[*:1]
Cc1nc(-c2ccc(NC(=O)NCc3ccnn3C)cc2)cs1 Cn1nccc1C[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)N[*:1]
C[NH2+][C@H](Cc1cc(F)cc(Br)c1)c1ccccc1 c1ccc(cc1)[*:1] C[NH2+][C@H](Cc1cc(F)cc(Br)c1)[*:1]
Cn1c(=O)c2c(-c3ccccc3)n(NC(=O)[C@H](O)c3ccccc3)cc2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(n(cc2n(C)c1=O)NC(=O)[C@H](O)c1ccccc1)[*:1]
Cn1c(=O)c2c(-c3ccccc3)n(NC(=O)[C@H](O)c3ccccc3)cc2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(-c3ccccc3)n(cc2n(C)c1=O)NC(=O)[C@H](O)[*:1]
Cn1c(=O)c2c(-c3ccccc3)n(NC(=O)[C@H](O)c3ccccc3)cc2n(C)c1=O O[C@H](c1ccccc1)[*:1] Cn1c(=O)c2c(-c3ccccc3)n(cc2n(C)c1=O)NC(=O)[*:1]
COc1ccccc1NC(=O)COc1c(Br)cc(C#N)cc1OC COc1ccccc1[*:1] COc1cc(C#N)cc(Br)c1OCC(=O)N[*:1]
C[C@H]1COc2ccccc2N1C(=O)c1csc(-c2ccco2)n1 c1coc(c1)[*:1] C[C@H]1COc2ccccc2N1C(=O)c1csc(n1)[*:1]
Cc1cc(Cl)ccc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 Cc1cc(Cl)ccc1[*:1] O=C(CN1CC[NH+](CC1)Cc1ccc2OCOc2c1)N[*:1]
Cc1cc(Cl)ccc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] Cc1cc(Cl)ccc1NC(=O)CN1CC[NH+](CC1)C[*:1]
c1cc(CN2CCN(c3ncnc4ccsc34)CC2)cc(-c2ccncc2)c1 c1cc(ccn1)[*:1] c1cc(cc(c1)[*:1])CN1CCN(CC1)c1ncnc2ccsc12
c1cc(CN2CCN(c3ncnc4ccsc34)CC2)cc(-c2ccncc2)c1 c1nc(c2sccc2n1)[*:1] c1cc(cc(c1)-c1ccncc1)CN1CCN(CC1)[*:1]
C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@H]1CCC CCC[*:1] C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@@H]1[*:1]
C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@H]1CCC C=CC[*:1] CCC[C@@H]1C[C@@H]1NC(=O)N(Cc1ccccc1)[*:1]
C=CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@H]1CCC c1ccc(cc1)[*:1] C=CCN(C[*:1])C(=O)N[C@H]1C[C@H]1CCC
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc(F)cc1Cl C1CC[C@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)c1ccc(F)cc1Cl
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc(F)cc1Cl C1CC[C@@H](C[*:1])OC1 CC(C)N(C(=O)c1ccc(F)cc1Cl)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc(F)cc1Cl CC(C)[*:1] O=C(c1ccc(F)cc1Cl)N(C[C@@H]1CCCCO1)[*:1]
C[C@H](C(=O)OC(C)(C)C)N1CC[NH+](CCCO)CC1 OCC[*:1] C[C@H](C(=O)OC(C)(C)C)N1CC[NH+](CC1)C[*:1]
C[C@H](C(=O)OC(C)(C)C)N1CC[NH+](CCCO)CC1 OCCC[*:1] C[C@H](C(=O)OC(C)(C)C)N1CC[NH+](CC1)[*:1]
C[C@H](C(=O)OC(C)(C)C)N1CC[NH+](CCCO)CC1 CC(C)(C)[*:1] C[C@H](C(=O)O[*:1])N1CC[NH+](CCCO)CC1
OC1(C(F)(F)F)CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 FC(F)(F)[*:1] OC1(CC[NH+](CC1)Cc1ncc(o1)-c1cccc(Cl)c1)[*:1]
OC1(C(F)(F)F)CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 Clc1cccc(c1)[*:1] OC1(CC[NH+](CC1)Cc1ncc(o1)[*:1])C(F)(F)F
O=[N+]([O-])c1ccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(NCCC[*:1])c2ccccc2n1
O=[N+]([O-])c1ccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] c1ccc2c(nc(nc2c1)[*:1])NCCCN1CCOCC1
O=[N+]([O-])c1ccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1 C1CN(CCO1)CC[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(NC[*:1])c2ccccc2n1
O=[N+]([O-])c1ccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1 C(CN1CCOCC1)C[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(N[*:1])c2ccccc2n1
O=[N+]([O-])c1ccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1 O=[N+]([O-])[*:1] c1ccc2c(nc(nc2c1)-c1ccc(cc1)[*:1])NCCCN1CCOCC1
O=[N+]([O-])c1ccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1 C1CN(CCO1)C[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(NCC[*:1])c2ccccc2n1
O=c1c([N+](=O)[O-])c(Oc2ccccc2OCC(F)(F)F)nc2ccccn12 FC(F)(F)[*:1] O=c1c(c(nc2ccccn12)Oc1ccccc1OC[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(Oc2ccccc2OCC(F)(F)F)nc2ccccn12 O=[N+]([O-])[*:1] O=c1c(c(nc2ccccn12)Oc1ccccc1OCC(F)(F)F)[*:1]
O=c1c([N+](=O)[O-])c(Oc2ccccc2OCC(F)(F)F)nc2ccccn12 FC(F)(F)CO[*:1] O=c1c(c(nc2ccccn12)Oc1ccccc1[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(Oc2ccccc2OCC(F)(F)F)nc2ccccn12 FC(F)(F)C[*:1] O=c1c(c(nc2ccccn12)Oc1ccccc1O[*:1])[N+](=O)[O-]
Cc1cc(NC(=O)C[S@@](=O)Cc2c(Cl)cccc2Cl)no1 Cc1cc(no1)[*:1] O=C(C[S@@](=O)Cc1c(Cl)cccc1Cl)N[*:1]
CC(C)Oc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1 CC(C)[*:1] O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(c1)O[*:1]
CC(C)Oc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1 CC(C)O[*:1] O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(c1)[*:1]
CCCCN1C(=O)[C@@H]2[C@@H]3C=Cc4cc(Cl)ccc4N3[C@H](C(=O)c3cccs3)[C@@H]2C1=O CCC[*:1] O=C(c1cccs1)[C@@H]1[C@@H]2C(=O)N(C[*:1])C(=O)[C@@H]2[C@@H]2C=Cc3cc(Cl)ccc3N21
CCCCN1C(=O)[C@@H]2[C@@H]3C=Cc4cc(Cl)ccc4N3[C@H](C(=O)c3cccs3)[C@@H]2C1=O O=C(c1cccs1)[*:1] CCCCN1C(=O)[C@@H]2[C@@H]3C=Cc4cc(Cl)ccc4N3[C@H]([C@@H]2C1=O)[*:1]
CCCCN1C(=O)[C@@H]2[C@@H]3C=Cc4cc(Cl)ccc4N3[C@H](C(=O)c3cccs3)[C@@H]2C1=O CCCC[*:1] O=C(c1cccs1)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2C=Cc3cc(Cl)ccc3N21)[*:1]
CCCCN1C(=O)[C@@H]2[C@@H]3C=Cc4cc(Cl)ccc4N3[C@H](C(=O)c3cccs3)[C@@H]2C1=O c1csc(c1)[*:1] CCCCN1C(=O)[C@@H]2[C@@H]3C=Cc4cc(Cl)ccc4N3[C@H](C(=O)[*:1])[C@@H]2C1=O
O=C(Cc1cccc2cccnc12)Nc1ccc(N2CCc3ccccc32)cc1 c1ccc2c(c1)CCN2[*:1] O=C(Cc1cccc2cccnc12)Nc1ccc(cc1)[*:1]
Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)-c1cncc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 Cc1cccc(c1)[*:1] O=C(c1ccc(F)cc1)N1CCC[C@H](C1)c1cncc(n1)[*:1]
O=C(CCc1nc2ccccc2s1)N1CCc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] O=C(CCc1nc2ccccc2s1)N1CCc2cc(ccc21)[*:1]
COc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)c1OC COc1cccc(c1OC)[*:1] O=C1CCc2cc(cc3CCN1c23)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)N(C)Cc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 O=S(=O)(N1CCCCCC1)[*:1] C[C@@H](C(=O)N(C)Cc1ccccc1)n1ccc2cc(ccc21)[*:1]
C[C@@H](C(=O)N(C)Cc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 c1ccc(cc1)C[*:1] C[C@@H](C(=O)N(C)[*:1])n1ccc2cc(ccc21)S(=O)(=O)N1CCCCCC1
C[C@@H](C(=O)N(C)Cc1ccccc1)n1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 c1ccc(cc1)[*:1] C[C@@H](C(=O)N(C)C[*:1])n1ccc2cc(ccc21)S(=O)(=O)N1CCCCCC1
CCN(C(=O)Nc1cccc(CC(F)(F)F)c1)C1CCCC1 FC(F)(F)[*:1] CCN(C(=O)Nc1cccc(c1)C[*:1])C1CCCC1
CCN(C(=O)Nc1cccc(CC(F)(F)F)c1)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)Nc1cccc(c1)CC(F)(F)F)[*:1]
CCN(C(=O)Nc1cccc(CC(F)(F)F)c1)C1CCCC1 FC(F)(F)C[*:1] CCN(C(=O)Nc1cccc(c1)[*:1])C1CCCC1
O=C(Cc1cccc(F)c1)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1 C1CC(C1)[*:1] O=C(Cc1cccc(F)c1)N[C@H](Cc1cc(=O)[nH]c(n1)[*:1])c1ccc(F)cc1
O=C(Cc1cccc(F)c1)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1 Fc1cccc(c1)[*:1] O=C(C[*:1])N[C@H](Cc1cc(=O)[nH]c(n1)C1CCC1)c1ccc(F)cc1
O=C(Cc1cccc(F)c1)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1 Fc1cccc(c1)C[*:1] O=C(N[C@H](Cc1cc(=O)[nH]c(n1)C1CCC1)c1ccc(F)cc1)[*:1]
O=C(Cc1cccc(F)c1)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1cccc(F)c1)N[C@H](Cc1cc(=O)[nH]c(n1)C1CCC1)[*:1]
CCC(C)(C)NC(=O)[C@H](C)[S@](=O)Cc1nnc(-c2ccccc2)n1C CCC(C)(C)NC(=O)[*:1] C[C@H]([S@](=O)Cc1nnc(-c2ccccc2)n1C)[*:1]
CCC(C)(C)NC(=O)[C@H](C)[S@](=O)Cc1nnc(-c2ccccc2)n1C CCC(C)(C)[*:1] C[C@@H](C(=O)N[*:1])[S@](=O)Cc1nnc(-c2ccccc2)n1C
CCC(C)(C)NC(=O)[C@H](C)[S@](=O)Cc1nnc(-c2ccccc2)n1C c1ccc(cc1)[*:1] CCC(C)(C)NC(=O)[C@H](C)[S@](=O)Cc1nnc(n1C)[*:1]
C[C@H]1CC(C(=O)OCCCc2cccnc2)C[C@H](C)O1 c1cncc(c1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)OCCC[*:1]
C[C@H]([NH2+][C@H](C)c1nncn1C)c1ccoc1 c1cc(co1)[*:1] C[C@H]([NH2+][C@H](C)c1nncn1C)[*:1]
Cc1cccc([C@@H]2CC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CN2C(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)[C@@H]1CC[C@H](CN1C(=O)[*:1])C(=O)NCc1ccc2OCOc2c1
Cc1cccc([C@@H]2CC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CN2C(=O)Cc2ccccc2)c1 c1cc2OCOc2cc1[*:1] Cc1cccc(c1)[C@@H]1CC[C@H](CN1C(=O)Cc1ccccc1)C(=O)NC[*:1]
Cc1cccc([C@@H]2CC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CN2C(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)[C@@H]1CC[C@H](CN1C(=O)C[*:1])C(=O)NCc1ccc2OCOc2c1
Cc1cccc([C@@H]2CC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CN2C(=O)Cc2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(NCc1ccc2OCOc2c1)[C@@H]1CC[C@H](N(C1)C(=O)Cc1ccccc1)[*:1]
Cc1cccc([C@@H]2CC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CN2C(=O)Cc2ccccc2)c1 c1cc2OCOc2cc1C[*:1] Cc1cccc(c1)[C@@H]1CC[C@H](CN1C(=O)Cc1ccccc1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)N1CCC(c2nc(CCNC(C)=O)cs2)CC1 CC(=O)NCC[*:1] CC[C@@H](C)NC(=O)N1CCC(CC1)c1nc(cs1)[*:1]
CC[C@@H](C)NC(=O)N1CCC(c2nc(CCNC(C)=O)cs2)CC1 CC(=O)N[*:1] CC[C@@H](C)NC(=O)N1CCC(CC1)c1nc(cs1)CC[*:1]
CC[C@@H](C)NC(=O)N1CCC(c2nc(CCNC(C)=O)cs2)CC1 CC(=O)NC[*:1] CC[C@@H](C)NC(=O)N1CCC(CC1)c1nc(cs1)C[*:1]
CC[C@@H](C)NC(=O)N1CCC(c2nc(CCNC(C)=O)cs2)CC1 CC[C@@H](C)[*:1] CC(=O)NCCc1csc(n1)C1CCN(CC1)C(=O)N[*:1]
COc1cccc([C@@H](C)CC(=O)NCC2(O)CCOCC2)c1 OC1(CCOCC1)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)NC[*:1]
Cc1cc(NCC2(C(N)=O)CCOCC2)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(NCC2(CCOCC2)C(N)=O)c(Cl)cc1[*:1]
Cc1cc(NCC2(C(N)=O)CCOCC2)c(Cl)cc1[N+](=O)[O-] NC(=O)[*:1] Cc1cc(NCC2(CCOCC2)[*:1])c(Cl)cc1[N+](=O)[O-]
CCOc1ccc(C[C@]2(c3ccc(Cl)c(Cl)c3)NC(N)=NC2=O)cc1 Clc1ccc(cc1Cl)[*:1] CCOc1ccc(cc1)C[C@@]1(NC(N)=NC1=O)[*:1]
CCOc1ccc(C[C@]2(c3ccc(Cl)c(Cl)c3)NC(N)=NC2=O)cc1 CCO[*:1] NC1=NC(=O)[C@](Cc2ccc(cc2)[*:1])(N1)c1ccc(Cl)c(Cl)c1
Cn1ncnc1CNC(=O)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] Cn1ncnc1CNC(=O)Nc1nc(cs1)[*:1]
Cn1ncnc1CNC(=O)Nc1nc(-c2ccccc2)cs1 Cn1ncnc1[*:1] O=C(NC[*:1])Nc1nc(cs1)-c1ccccc1
Cn1ncnc1CNC(=O)Nc1nc(-c2ccccc2)cs1 Cn1ncnc1C[*:1] O=C(Nc1nc(cs1)-c1ccccc1)N[*:1]
CCOc1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)ccn1 CCO[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)c1ccnc(c1)[*:1]
C[NH+](C)CCN1C[C@H](C(=O)NNc2ccc(F)cc2)CC1=O Fc1ccc(cc1)[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)NN[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC#N)nc1 N#CC[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(nc1)S[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC#N)nc1 C1CCC(CC1)[*:1] CN(S(=O)(=O)c1ccc(nc1)SCC#N)[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC#N)nc1 N#CCS[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(nc1)[*:1]
NN1C(=O)[C@](O)(c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] NN1C(=O)[C@](O)(c2ccccc21)[*:1]
CC(C)c1cccc(OCC(=O)NCc2nnc3n2CCC3)c1 CC(C)[*:1] O=C(COc1cccc(c1)[*:1])NCc1nnc2CCCn21
CC[C@@H](NCc1cnc(-c2ccc(C)cc2)s1)C(=O)N1CCOCC1 Cc1ccc(cc1)[*:1] CC[C@@H](NCc1cnc(s1)[*:1])C(=O)N1CCOCC1
CC[C@@H](NCc1cnc(-c2ccc(C)cc2)s1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H](NCc1cnc(s1)-c1ccc(C)cc1)[*:1]
O=C([O-])Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 Clc1ccc(cc1Cl)[*:1] O=C([O-])Cc1ccc(cc1)N1C(=O)C[C@@H](N[*:1])C1=O
O=C([O-])Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 O=C([O-])C[*:1] O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(cc1)[*:1]
O=C([O-])Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 O=C([O-])[*:1] O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(cc1)C[*:1]
Cc1n[nH]c(S[C@H]2CC[C@@]([NH2+]C(C)C)(C(=O)[O-])C2)n1 Cc1n[nH]c(n1)[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)S[*:1])C(=O)[O-]
Cc1n[nH]c(S[C@H]2CC[C@@]([NH2+]C(C)C)(C(=O)[O-])C2)n1 O=C([O-])[*:1] Cc1n[nH]c(n1)S[C@H]1CC[C@](C1)([NH2+]C(C)C)[*:1]
Cc1n[nH]c(S[C@H]2CC[C@@]([NH2+]C(C)C)(C(=O)[O-])C2)n1 CC(C)[*:1] Cc1n[nH]c(n1)S[C@H]1CC[C@@](C1)([NH2+][*:1])C(=O)[O-]
Cc1ccccc1-c1c(Cl)nc(-c2cccnc2)nc1Cl Cc1ccccc1[*:1] Clc1nc(nc(Cl)c1[*:1])-c1cccnc1
Cc1ccccc1-c1c(Cl)nc(-c2cccnc2)nc1Cl c1cncc(c1)[*:1] Cc1ccccc1-c1c(Cl)nc(nc1Cl)[*:1]
O=C(Cn1cc(C(F)(F)F)ccc1=O)N[C@H]1c2ccccc2C[C@H]1O FC(F)(F)[*:1] O=C(Cn1cc(ccc1=O)[*:1])N[C@H]1c2ccccc2C[C@H]1O
CCOc1cccc([C@@H](C)NC(=O)Nc2ccc3oc(=O)ccc3c2)c1 CCO[*:1] C[C@@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)c1cccc(c1)[*:1]
C=CCn1c(Cn2cnc3ccccc32)nnc1SCC#Cc1ccccc1 C=CC[*:1] C(#Cc1ccccc1)CSc1nnc(Cn2cnc3ccccc32)n1[*:1]
C=CCn1c(Cn2cnc3ccccc32)nnc1SCC#Cc1ccccc1 C(#C[*:1])c1ccccc1 C=CCn1c(Cn2cnc3ccccc32)nnc1SC[*:1]
C=CCn1c(Cn2cnc3ccccc32)nnc1SCC#Cc1ccccc1 C(#Cc1ccccc1)C[*:1] C=CCn1c(Cn2cnc3ccccc32)nnc1S[*:1]
C=CCn1c(Cn2cnc3ccccc32)nnc1SCC#Cc1ccccc1 c1ccc2c(c1)ncn2[*:1] C=CCn1c(C[*:1])nnc1SCC#Cc1ccccc1
C=CCn1c(Cn2cnc3ccccc32)nnc1SCC#Cc1ccccc1 c1ccc(cc1)[*:1] C=CCn1c(Cn2cnc3ccccc32)nnc1SCC#C[*:1]
C[C@H](c1nc(Cc2ccc(F)cc2)no1)n1ccc(C(F)(F)F)n1 Fc1ccc(cc1)[*:1] C[C@H](c1nc(C[*:1])no1)n1ccc(n1)C(F)(F)F
C[C@H](c1nc(Cc2ccc(F)cc2)no1)n1ccc(C(F)(F)F)n1 FC(F)(F)[*:1] C[C@H](c1nc(Cc2ccc(F)cc2)no1)n1ccc(n1)[*:1]
C[C@H](c1nc(Cc2ccc(F)cc2)no1)n1ccc(C(F)(F)F)n1 Fc1ccc(cc1)C[*:1] C[C@H](c1nc(no1)[*:1])n1ccc(n1)C(F)(F)F
CCc1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C#N)cc1 CCc1ccc(cc1)[*:1] Cc1sc(NC(=O)c2ccnn2C)c(C#N)c1[*:1]
CCc1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C#N)cc1 Cn1nccc1[*:1] CCc1ccc(cc1)-c1c(C)sc(NC(=O)[*:1])c1C#N
COCCCn1c(C)cn2c3c(=O)n(Cc4cc(C)ccc4C)c(=O)n(C)c3nc12 COCC[*:1] Cc1ccc(C)c(c1)Cn1c(=O)c2c(nc3n(C[*:1])c(C)cn23)n(C)c1=O
COCCCn1c(C)cn2c3c(=O)n(Cc4cc(C)ccc4C)c(=O)n(C)c3nc12 Cc1ccc(C)c(c1)[*:1] COCCCn1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
COCCCn1c(C)cn2c3c(=O)n(Cc4cc(C)ccc4C)c(=O)n(C)c3nc12 COCCC[*:1] Cc1ccc(C)c(c1)Cn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
COCCCn1c(C)cn2c3c(=O)n(Cc4cc(C)ccc4C)c(=O)n(C)c3nc12 COC[*:1] Cc1ccc(C)c(c1)Cn1c(=O)c2c(nc3n(CC[*:1])c(C)cn23)n(C)c1=O
COCCCn1c(C)cn2c3c(=O)n(Cc4cc(C)ccc4C)c(=O)n(C)c3nc12 Cc1ccc(C)c(c1)C[*:1] COCCCn1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
C[C@@H](Sc1nncn1C)C(=O)NCc1ccncc1 c1cc(ccn1)[*:1] C[C@@H](Sc1nncn1C)C(=O)NC[*:1]
C[C@@H](Sc1nncn1C)C(=O)NCc1ccncc1 Cn1cnnc1[*:1] C[C@@H](S[*:1])C(=O)NCc1ccncc1
O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1nc2CCCCc2s1)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccccc1-c1[nH+]c2cccc(C)n2c1NC(C)(C)C CC(C)(C)N[*:1] COc1ccccc1-c1[nH+]c2cccc(C)n2c1[*:1]
COc1ccccc1-c1[nH+]c2cccc(C)n2c1NC(C)(C)C CC(C)(C)[*:1] COc1ccccc1-c1[nH+]c2cccc(C)n2c1N[*:1]
CC[C@@H](NC(=O)N(C)C[C@H](O)C1CC1)c1ccc(C)c(F)c1 O[C@H](C1CC1)[*:1] CC[C@@H](NC(=O)N(C)C[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)N(C)C[C@H](O)C1CC1)c1ccc(C)c(F)c1 C1CC1[*:1] CC[C@@H](NC(=O)N(C)C[C@H](O)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)N(C)C[C@H](O)C1CC1)c1ccc(C)c(F)c1 O[C@@H](C[*:1])C1CC1 CC[C@@H](NC(=O)N(C)[*:1])c1ccc(C)c(F)c1
Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCOCC1 CC(C)(C)[*:1] Cc1cc(ccc1OC[C@@H](O)CN1CCOCC1)[*:1]
Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCOCC1 C1CN(CCO1)[*:1] Cc1cc(ccc1OC[C@@H](O)C[*:1])C(C)(C)C
Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCOCC1 C1CN(CCO1)C[*:1] Cc1cc(ccc1OC[C@@H](O)[*:1])C(C)(C)C
CCOC(=O)[C@@H](Oc1c(Cl)c(C)nc(C)c1Cl)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H](Oc1c(Cl)c(C)nc(C)c1Cl)[*:1]
CCOC(=O)[C@@H](Oc1c(Cl)c(C)nc(C)c1Cl)c1ccccc1 CCOC(=O)[*:1] Cc1nc(C)c(Cl)c(O[C@@H](c2ccccc2)[*:1])c1Cl
CC(C)c1nc2ccccc2n1C[C@H](O)COc1ccc(Br)cc1 Brc1ccc(cc1)O[*:1] CC(C)c1nc2ccccc2n1C[C@H](O)C[*:1]
CC(C)c1nc2ccccc2n1C[C@H](O)COc1ccc(Br)cc1 CC(C)[*:1] O[C@H](COc1ccc(Br)cc1)Cn1c(nc2ccccc21)[*:1]
CC(C)c1nc2ccccc2n1C[C@H](O)COc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)c1nc2ccccc2n1C[C@H](O)CO[*:1]
Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2CCN2CCOCC2)n(C)c1=O C1CN(CCO1)CC[*:1] Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2CCN2CCOCC2)n(C)c1=O C1CN(CCO1)C[*:1] Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2CCN2CCOCC2)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(C[NH+](C)C[*:1])n2CCN2CCOCC2)n(C)c1=O
Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2CCN2CCOCC2)n(C)c1=O c1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(C[NH+](C)[*:1])n2CCN2CCOCC2)n(C)c1=O
Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2CCN2CCOCC2)n(C)c1=O C1CN(CCO1)[*:1] Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2CC[*:1])n(C)c1=O
Cc1cccc(N2C[C@H](c3nc4ccccc4n3C[C@@H](O)COc3ccc(Cl)cc3)CC2=O)c1 O[C@@H](COc1ccc(Cl)cc1)[*:1] Cc1cccc(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
Cc1cccc(N2C[C@H](c3nc4ccccc4n3C[C@@H](O)COc3ccc(Cl)cc3)CC2=O)c1 Clc1ccc(cc1)O[*:1] Cc1cccc(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1C[C@@H](O)C[*:1]
Cc1cccc(N2C[C@H](c3nc4ccccc4n3C[C@@H](O)COc3ccc(Cl)cc3)CC2=O)c1 Clc1ccc(cc1)OC[*:1] Cc1cccc(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1C[C@@H](O)[*:1]
Cc1cccc(N2C[C@H](c3nc4ccccc4n3C[C@@H](O)COc3ccc(Cl)cc3)CC2=O)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1C[C@@H](O)CO[*:1]
Cc1cccc(N2C[C@H](c3nc4ccccc4n3C[C@@H](O)COc3ccc(Cl)cc3)CC2=O)c1 Cc1cccc(c1)[*:1] O=C1C[C@H](CN1[*:1])c1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1
Cc1c(OC(=O)C2CCOCC2)ccc2c(-c3ccccc3)cc(=O)oc12 C1CC(CCO1)[*:1] Cc1c(ccc2c(cc(=O)oc12)-c1ccccc1)OC(=O)[*:1]
Cc1c(OC(=O)C2CCOCC2)ccc2c(-c3ccccc3)cc(=O)oc12 c1ccc(cc1)[*:1] Cc1c(ccc2c(cc(=O)oc12)[*:1])OC(=O)C1CCOCC1
Cc1c(OC(=O)C2CCOCC2)ccc2c(-c3ccccc3)cc(=O)oc12 O=C(O[*:1])C1CCOCC1 Cc1c(ccc2c(cc(=O)oc12)-c1ccccc1)[*:1]
C[C@@H]1C[C@H]([NH3+])CN(CC(=O)NCc2cccs2)C1 c1csc(c1)[*:1] C[C@@H]1C[C@H]([NH3+])CN(CC(=O)NC[*:1])C1
C[C@@H]1C[C@H]([NH3+])CN(CC(=O)NCc2cccs2)C1 c1csc(c1)C[*:1] C[C@@H]1C[C@H]([NH3+])CN(CC(=O)N[*:1])C1
Cc1ccc2[nH]c3c(=O)n(CCC#N)ncc3c2c1 N#CCC[*:1] Cc1ccc2[nH]c3c(=O)n(ncc3c2c1)[*:1]
Cc1ccc2[nH]c3c(=O)n(CCC#N)ncc3c2c1 N#CC[*:1] Cc1ccc2[nH]c3c(=O)n(C[*:1])ncc3c2c1
FC(F)C[NH2+]CC1CCC1 FC(F)[*:1] C1CC(C1)C[NH2+]C[*:1]
Cc1ccc(/C=C/C(=O)Nc2cnn(CC(F)(F)F)c2)o1 FC(F)(F)[*:1] Cc1ccc(/C=C/C(=O)Nc2cnn(c2)C[*:1])o1
Cc1ccc(/C=C/C(=O)Nc2cnn(CC(F)(F)F)c2)o1 FC(F)(F)C[*:1] Cc1ccc(/C=C/C(=O)Nc2cnn(c2)[*:1])o1
Cc1ccc(/C=C/C(=O)Nc2cnn(CC(F)(F)F)c2)o1 Cc1ccc(o1)[*:1] O=C(C=C[*:1])Nc1cnn(c1)CC(F)(F)F
N#CC1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CCCCC1 O=[N+]([O-])[*:1] N#CC1(CCCCC1)NC(=O)c1cc(F)ccc1[*:1]
CN(C)c1cc(CNC(=O)N2CCOC[C@H]2C2CC2)c2ccccc2[nH+]1 C1CC1[*:1] CN(C)c1cc(CNC(=O)N2CCOC[C@@H]2[*:1])c2ccccc2[nH+]1
CN(C)c1cc(CNC(=O)N2CCOC[C@H]2C2CC2)c2ccccc2[nH+]1 CN(C)[*:1] O=C(NCc1cc([nH+]c2ccccc12)[*:1])N1CCOC[C@H]1C1CC1
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCC(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCC(=O)N[*:1]
C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCC(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)NC[*:1]
O=C(NCc1cccnc1)N(CCc1cccc(F)c1)C1CC1 c1cncc(c1)C[*:1] O=C(N[*:1])N(CCc1cccc(F)c1)C1CC1
O=C(NCc1cccnc1)N(CCc1cccc(F)c1)C1CC1 c1cncc(c1)[*:1] O=C(NC[*:1])N(CCc1cccc(F)c1)C1CC1
O=C(NCc1cccnc1)N(CCc1cccc(F)c1)C1CC1 C1CC1[*:1] O=C(NCc1cccnc1)N(CCc1cccc(F)c1)[*:1]
O=C(NCc1cccnc1)N(CCc1cccc(F)c1)C1CC1 Fc1cccc(c1)[*:1] O=C(NCc1cccnc1)N(CC[*:1])C1CC1
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cn1nccc1-c1ccncc1 O=[N+]([O-])[*:1] CC(C)N(Cc1ccc(cc1)[*:1])Cn1nccc1-c1ccncc1
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cn1nccc1-c1ccncc1 c1cc(ccn1)[*:1] CC(C)N(Cc1ccc(cc1)[N+](=O)[O-])Cn1nccc1[*:1]
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cn1nccc1-c1ccncc1 CC(C)[*:1] O=[N+]([O-])c1ccc(cc1)CN(Cn1nccc1-c1ccncc1)[*:1]
COc1cccc2cc(C(=O)Nc3cccc(Br)c3)c(=[NH2+])oc12 Brc1cccc(c1)[*:1] COc1cccc2cc(C(=O)N[*:1])c(=[NH2+])oc12
N#Cc1ccccc1N1CCCN(C(=O)c2ccc(=O)[nH]c2)CC1 O=c1ccc(c[nH]1)[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)[*:1]
N#Cc1ccccc1N1CCCN(C(=O)c2ccc(=O)[nH]c2)CC1 N#Cc1ccccc1[*:1] O=C(c1ccc(=O)[nH]c1)N1CCCN(CC1)[*:1]
O=C(Nc1cccc(NC2CCCC2)c1)c1ncncc1Cl Clc1cncnc1[*:1] O=C(Nc1cccc(c1)NC1CCCC1)[*:1]
O=C(Nc1cccc(NC2CCCC2)c1)c1ncncc1Cl C1CCC(C1)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ncncc1Cl
O=C(Nc1cccc(NC2CCCC2)c1)c1ncncc1Cl C1CCC(C1)[*:1] O=C(Nc1cccc(c1)N[*:1])c1ncncc1Cl
Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)C(C)C)cc12 c1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)N[C@@H](C)C(C)C)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)C(C)C)cc12 CC(C)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N[C@@H](C)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)C(C)C)cc12 CC(C)[C@H](C)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N[*:1]
CC1(C)CC[NH+]1Cc1cccc(OCCCC#N)c1 N#CCCCO[*:1] CC1(C)CC[NH+]1Cc1cccc(c1)[*:1]
CC1(C)CC[NH+]1Cc1cccc(OCCCC#N)c1 N#CCC[*:1] CC1(C)CC[NH+]1Cc1cccc(c1)OC[*:1]
CC1(C)CC[NH+]1Cc1cccc(OCCCC#N)c1 N#CC[*:1] CC1(C)CC[NH+]1Cc1cccc(c1)OCC[*:1]
CC1(C)CC[NH+]1Cc1cccc(OCCCC#N)c1 N#CCCC[*:1] CC1(C)CC[NH+]1Cc1cccc(c1)O[*:1]
Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCc2ccccc2Cl)c1 Cc1nnnn1[*:1] O=C(NCCc1ccccc1Cl)C(=O)Nc1cccc(c1)[*:1]
Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCc2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)C(=O)NCC[*:1]
Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCc2ccccc2Cl)c1 Clc1ccccc1CC[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)C(=O)N[*:1]
Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCc2ccccc2Cl)c1 Clc1ccccc1C[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)C(=O)NC[*:1]
CCOC[C@H](O)CN1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 CN(C)[*:1] CCOC[C@H](O)CN1CCN(CC1)C(=O)c1ccnc(c1)[*:1]
CCOC[C@H](O)CN1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 CCOC[C@H](O)[*:1] CN(C)c1cc(ccn1)C(=O)N1CCN(CC1)C[*:1]
CCOC[C@H](O)CN1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 CCOC[*:1] CN(C)c1cc(ccn1)C(=O)N1CCN(CC1)C[C@@H](O)[*:1]
CCOC[C@H](O)CN1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 CCO[*:1] CN(C)c1cc(ccn1)C(=O)N1CCN(CC1)C[C@@H](O)C[*:1]
CCOC[C@H](O)CN1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 CCOC[C@H](O)C[*:1] CN(C)c1cc(ccn1)C(=O)N1CCN(CC1)[*:1]
Cc1noc(C)c1CCNC(=O)CCn1cnc2c(c(C)c(C)n2-c2cccc(F)c2)c1=O Cc1noc(C)c1[*:1] Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NCC[*:1])c(=O)c12
Cc1noc(C)c1CCNC(=O)CCn1cnc2c(c(C)c(C)n2-c2cccc(F)c2)c1=O Cc1noc(C)c1CC[*:1] Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)N[*:1])c(=O)c12
Cc1noc(C)c1CCNC(=O)CCn1cnc2c(c(C)c(C)n2-c2cccc(F)c2)c1=O Fc1cccc(c1)[*:1] Cc1noc(C)c1CCNC(=O)CCn1cnc2c(c(C)c(C)n2[*:1])c1=O
Cc1noc(C)c1CCNC(=O)CCn1cnc2c(c(C)c(C)n2-c2cccc(F)c2)c1=O Cc1noc(C)c1C[*:1] Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NC[*:1])c(=O)c12
N#Cc1cccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] N#Cc1cccc(c1)C(=O)N(Cc1cccs1)[*:1]
N#Cc1cccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] N#Cc1cccc(c1)C(=O)N(Cc1cccs1)C[*:1]
N#Cc1cccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 c1csc(c1)C[*:1] N#Cc1cccc(c1)C(=O)N(C[C@H]1CCCO1)[*:1]
N#Cc1cccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 c1csc(c1)[*:1] N#Cc1cccc(c1)C(=O)N(C[C@H]1CCCO1)C[*:1]
O=C(Cc1ccsc1)N1CCC[C@@H]1c1ccc(Cl)cc1 c1cc(cs1)[*:1] O=C(C[*:1])N1CCC[C@@H]1c1ccc(Cl)cc1
O=C(Cc1ccsc1)N1CCC[C@@H]1c1ccc(Cl)cc1 c1cc(cs1)C[*:1] O=C(N1CCC[C@@H]1c1ccc(Cl)cc1)[*:1]
Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4cc5ccccc5oc4=O)C3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1cc2ccccc2oc1=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4cc5ccccc5oc4=O)C3)nn2)n1 O=c1oc2ccccc2cc1[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC[C@H](C1)C(=O)N[*:1]
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2cnc[nH]2)CC1 c1ncc(C[*:1])[nH]1 O=C(c1ccc(Cl)cc1F)N1CCN(CC1)[*:1]
O=C(c1ccc(Cl)cc1F)N1CCN(Cc2cnc[nH]2)CC1 c1ncc([nH]1)[*:1] O=C(c1ccc(Cl)cc1F)N1CCN(CC1)C[*:1]
Cc1cc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)ccc1O C1CN(CCO1)CC[*:1] Cc1cc(ccc1O)CN1C[C@H]2[C@@H](C1)OC(=O)N2C[*:1]
Cc1cc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)ccc1O C(CN1CCOCC1)C[*:1] Cc1cc(ccc1O)CN1C[C@H]2[C@@H](C1)OC(=O)N2[*:1]
Cc1cc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)ccc1O Cc1cc(ccc1O)[*:1] O=C1O[C@@H]2CN(C[C@@H]2N1CCCN1CCOCC1)C[*:1]
Cc1cc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)ccc1O C1CN(CCO1)[*:1] Cc1cc(ccc1O)CN1C[C@H]2[C@@H](C1)OC(=O)N2CCC[*:1]
Cc1cc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)ccc1O C1CN(CCO1)C[*:1] Cc1cc(ccc1O)CN1C[C@H]2[C@@H](C1)OC(=O)N2CC[*:1]
Cc1cc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCN2CCOCC2)ccc1O Cc1cc(ccc1O)C[*:1] O=C1O[C@@H]2CN(C[C@@H]2N1CCCN1CCOCC1)[*:1]
Cc1noc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)n1 Cc1noc(n1)[*:1] Cc1ccc(cc1C)-n1c(nnc1-c1ccccc1)SCC(=O)N[*:1]
Cc1noc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)n1 Cc1noc(n1)NC(=O)[*:1] Cc1ccc(cc1C)-n1c(nnc1-c1ccccc1)SC[*:1]
Cc1noc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)n1 Cc1ccc(cc1C)[*:1] Cc1noc(n1)NC(=O)CSc1nnc(-c2ccccc2)n1[*:1]
Cc1noc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)NC(=O)CSc1nnc(n1-c1ccc(C)c(C)c1)[*:1]
Cc1noc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)n1 Cc1noc(n1)NC(=O)C[*:1] Cc1ccc(cc1C)-n1c(nnc1-c1ccccc1)S[*:1]
Cc1ccccc1[C@H](C)N[C@H](C(N)=O)c1ccccc1 NC(=O)[*:1] Cc1ccccc1[C@H](C)N[C@H](c1ccccc1)[*:1]
Cc1ccccc1[C@H](C)N[C@H](C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1[C@H](C)N[C@H](C(N)=O)[*:1]
NC(=O)c1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] NC(=O)c1cccc(c1)CNC(=O)[C@H]1C[C@@H]1[*:1]
NC(=O)c1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1C[C@H]1c1ccc(F)cc1
Cn1ccc(-n2cc(CCBr)nn2)n1 BrCC[*:1] Cn1ccc(n1)-n1cc(nn1)[*:1]
C[NH+](C)[C@@H](CNS(=O)(=O)c1c(F)cccc1F)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNS(=O)(=O)c1c(F)cccc1F)[*:1]
C[C@@H](NC(=O)[C@H]1CS[C@H]2c3ccccc3C(=O)N12)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@H]1CS[C@H]2c3ccccc3C(=O)N12)[*:1]
C[C@@H](NC(=O)[C@H]1CS[C@H]2c3ccccc3C(=O)N12)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(N[*:1])[C@H]1CS[C@H]2c3ccccc3C(=O)N12
Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1 CC(C)[*:1] Cc1ccccc1[C@@H](C)NC(=O)[C@@H](S(=O)(=O)C1CCCCC1)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1 Cc1ccccc1[*:1] CC(C)[C@H](C(=O)N[C@H](C)[*:1])S(=O)(=O)C1CCCCC1
Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1 C1CCC(CC1)[*:1] Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C(C)C)S(=O)(=O)[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1 O=C1CCCN1[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1cccc(c1)[*:1]
CN(C)c1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cn1 CN(C)[*:1] O=C(Nc1ccc(nc1)[*:1])C1CCC(=O)N(N=1)[C@@H]1CCS(=O)(=O)C1
CC(C)c1nc(NC(=O)NCC2(c3c(F)cccc3F)CC2)n(C)n1 Fc1cccc(F)c1[*:1] CC(C)c1nc(NC(=O)NCC2(CC2)[*:1])n(C)n1
CC(C)c1nc(NC(=O)NCC2(c3c(F)cccc3F)CC2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)NCC1(CC1)c1c(F)cccc1F)[*:1]
CSCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1cc(C)sc1C CSC[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)[C@@H](C[*:1])NC(N)=O
CSCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1cc(C)sc1C NC(=O)N[*:1] CSCC[C@@H](C(=O)N[C@@H](C)c1cc(C)sc1C)[*:1]
CSCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1cc(C)sc1C CSCC[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)[C@H](NC(N)=O)[*:1]
CSCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1cc(C)sc1C Cc1cc(c(C)s1)[*:1] CSCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)[*:1]
Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)sc2c1 Cc1ccc(cc1C)[*:1] Cc1ccc2nc(NC(=O)[C@H](C)O[*:1])sc2c1
CC(C)OC1CCC(NC(=O)Nc2cncc3ccccc23)CC1 CC(C)O[*:1] O=C(Nc1cncc2ccccc12)NC1CCC(CC1)[*:1]
CC(C)OC1CCC(NC(=O)Nc2cncc3ccccc23)CC1 CC(C)[*:1] O=C(Nc1cncc2ccccc12)NC1CCC(CC1)O[*:1]
CCCc1nc(CS(=O)(=O)CC(=O)N2C[C@H](C)C[C@@H](C)C2)cs1 CCC[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CS(=O)(=O)Cc1csc(n1)[*:1]
COCCN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1C c1coc(c1)[*:1] COCCN(C[*:1])S(=O)(=O)c1ccc(C)cc1C
COCCN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1C c1coc(c1)C[*:1] COCCN(S(=O)(=O)c1ccc(C)cc1C)[*:1]
COCCN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1C COCC[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N(Cc1ccco1)[*:1]
COCCN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1C COC[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N(Cc1ccco1)C[*:1]
CC(C)(C)CC(=O)Nc1ccc(F)cc1F CC(C)(C)[*:1] O=C(C[*:1])Nc1ccc(F)cc1F
CC(C)(C)CC(=O)Nc1ccc(F)cc1F CC(C)(C)C[*:1] O=C(Nc1ccc(F)cc1F)[*:1]
CC[C@H](C)CS(=O)(=O)Cc1nc(-c2ccco2)no1 CC[C@H](C)[*:1] O=S(=O)(Cc1nc(no1)-c1ccco1)C[*:1]
CC[C@H](C)CS(=O)(=O)Cc1nc(-c2ccco2)no1 c1coc(c1)[*:1] CC[C@H](C)CS(=O)(=O)Cc1nc(no1)[*:1]
CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1Cl)C1CC1 CN(C(=O)[*:1])C1CC1 O=S(=O)(c1ccc(F)cc1Cl)N1CSC[C@H]1[*:1]
CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1Cl)C1CC1 C1CC1[*:1] CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1Cl)[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)[C@@H]1CCCN1C(=O)Cc1cccs1 c1csc(c1)C[*:1] O=C(Nc1cnc(s1)-c1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)[C@@H]1CCCN1C(=O)Cc1cccs1 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])[C@@H]1CCCN1C(=O)Cc1cccs1
O=C(Nc1cnc(-c2ccccc2)s1)[C@@H]1CCCN1C(=O)Cc1cccs1 c1csc(c1)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)[C@@H]1CCCN1C(=O)C[*:1]
COc1ccc(-c2cc(N3CCN(C(=O)Nc4ccccc4OC)CC3)ncn2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1NC(=O)N1CCN(CC1)c1cc(ncn1)[*:1]
COc1ccc(-c2cc(N3CCN(C(=O)Nc4ccccc4OC)CC3)ncn2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-c1cc(ncn1)N1CCN(CC1)C(=O)N[*:1]
NC(=O)C[NH+]1CCC(C(=O)N2CC(c3ccccn3)C2)CC1 NC(=O)[*:1] O=C(C1CC[NH+](CC1)C[*:1])N1CC(C1)c1ccccn1
NC(=O)C[NH+]1CCC(C(=O)N2CC(c3ccccn3)C2)CC1 c1ccc(nc1)[*:1] NC(=O)C[NH+]1CCC(CC1)C(=O)N1CC(C1)[*:1]
NC(=O)C[NH+]1CCC(C(=O)N2CC(c3ccccn3)C2)CC1 NC(=O)C[*:1] O=C(C1CC[NH+](CC1)[*:1])N1CC(C1)c1ccccn1
CN(CC#Cc1ccc(Cl)cc1)[C@H]1CCC[C@@H]1S(C)(=O)=O Clc1ccc(cc1)[*:1] CN(CC#C[*:1])[C@H]1CCC[C@@H]1S(C)(=O)=O
CN(CC#Cc1ccc(Cl)cc1)[C@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(CC#Cc1ccc(Cl)cc1)[C@H]1CCC[C@H]1[*:1]
CCCC(=O)Nc1ccn(C)n1 CCC[*:1] Cn1ccc(n1)NC(=O)[*:1]
C[C@H](CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(Br)cc1 C1CC1[*:1] C[C@H](CC(=O)N1CCOC[C@H]1[*:1])c1ccc(Br)cc1
C[C@H](CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](CC(=O)N1CCOC[C@@H]1C1CC1)[*:1]
C=CCN1C(=O)c2ccccc2N[C@@]1(C)c1ccc(OCCOC)cc1 COCC[*:1] C=CCN1C(=O)c2ccccc2N[C@@]1(C)c1ccc(cc1)O[*:1]
C=CCN1C(=O)c2ccccc2N[C@@]1(C)c1ccc(OCCOC)cc1 COC[*:1] C=CCN1C(=O)c2ccccc2N[C@@]1(C)c1ccc(cc1)OC[*:1]
C=CCN1C(=O)c2ccccc2N[C@@]1(C)c1ccc(OCCOC)cc1 COCCO[*:1] C=CCN1C(=O)c2ccccc2N[C@@]1(C)c1ccc(cc1)[*:1]
C=CCN1C(=O)c2ccccc2N[C@@]1(C)c1ccc(OCCOC)cc1 C=CC[*:1] COCCOc1ccc(cc1)[C@]1(C)Nc2ccccc2C(=O)N1[*:1]
COc1cc(F)ccc1-c1ccc(=O)n(Cc2ccc(OC(F)(F)F)cc2)n1 FC(F)(F)O[*:1] COc1cc(F)ccc1-c1ccc(=O)n(Cc2ccc(cc2)[*:1])n1
COc1cc(F)ccc1-c1ccc(=O)n(Cc2ccc(OC(F)(F)F)cc2)n1 FC(F)(F)[*:1] COc1cc(F)ccc1-c1ccc(=O)n(Cc2ccc(cc2)O[*:1])n1
COc1cc(F)ccc1-c1ccc(=O)n(Cc2ccc(OC(F)(F)F)cc2)n1 COc1cc(F)ccc1[*:1] O=c1ccc(nn1Cc1ccc(cc1)OC(F)(F)F)[*:1]
O=C([O-])CC1(NC(=O)c2csc(-c3ccsc3)n2)CCC1 c1cc(cs1)[*:1] O=C([O-])CC1(CCC1)NC(=O)c1csc(n1)[*:1]
O=C([O-])CC1(NC(=O)c2csc(-c3ccsc3)n2)CCC1 O=C([O-])[*:1] O=C(NC1(CCC1)C[*:1])c1csc(n1)-c1ccsc1
O=C([O-])CC1(NC(=O)c2csc(-c3ccsc3)n2)CCC1 O=C([O-])C[*:1] O=C(NC1(CCC1)[*:1])c1csc(n1)-c1ccsc1
CCN(Cc1ccccn1)C(=O)N(CC(=O)[O-])CC(=O)[O-] O=C([O-])[*:1] CCN(Cc1ccccn1)C(=O)N(CC(=O)[O-])C[*:1]
CCN(Cc1ccccn1)C(=O)N(CC(=O)[O-])CC(=O)[O-] c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)N(CC(=O)[O-])CC(=O)[O-]
CCN(Cc1ccccn1)C(=O)N(CC(=O)[O-])CC(=O)[O-] c1ccc(C[*:1])nc1 CCN(C(=O)N(CC(=O)[O-])CC(=O)[O-])[*:1]
CCN(Cc1ccccn1)C(=O)N(CC(=O)[O-])CC(=O)[O-] O=C([O-])C[*:1] CCN(Cc1ccccn1)C(=O)N(CC(=O)[O-])[*:1]
CCCc1cc(NC(=O)C(=O)NC[C@@H](C)c2ccc(F)c(F)c2)n(C)n1 Fc1ccc(cc1F)[*:1] CCCc1cc(NC(=O)C(=O)NC[C@@H](C)[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)NC[C@@H](C)c2ccc(F)c(F)c2)n(C)n1 CCC[*:1] C[C@H](CNC(=O)C(=O)Nc1cc(nn1C)[*:1])c1ccc(F)c(F)c1
C=CCn1nnnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1OC C=CC[*:1] COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnnn1[*:1]
O=C(C[C@H]1CCCCO1)N[C@@H](C(=O)[O-])C1CCCCC1 O=C([O-])[*:1] O=C(C[C@H]1CCCCO1)N[C@@H](C1CCCCC1)[*:1]
O=C(C[C@H]1CCCCO1)N[C@@H](C(=O)[O-])C1CCCCC1 C1CC[C@@H](OC1)[*:1] O=C(C[*:1])N[C@@H](C(=O)[O-])C1CCCCC1
O=C(C[C@H]1CCCCO1)N[C@@H](C(=O)[O-])C1CCCCC1 C1CCC(CC1)[*:1] O=C(C[C@H]1CCCCO1)N[C@@H](C(=O)[O-])[*:1]
O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C1/C(=C/c2cccnc2)Oc2cc(ccc21)OC(=O)[*:1]
O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1cccc(F)c1 c1cncc(c1)[*:1] O=C(Oc1ccc2C(=O)C(=C[*:1])Oc2c1)c1cccc(F)c1
NNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 NNC(=O)[*:1] O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@H](C1)[*:1]
COc1cc(C(=O)Nc2ccc(F)cc2)nc2ccc(Cl)cc12 Fc1ccc(cc1)[*:1] COc1cc(nc2ccc(Cl)cc12)C(=O)N[*:1]
CCCc1nnc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)s1 CCC[*:1] O=C(Nc1nnc(s1)[*:1])NC1CC[NH+](CC1)CC1CCCCC1
CCCc1nnc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)s1 C1CCC(CC1)[*:1] CCCc1nnc(NC(=O)NC2CC[NH+](CC2)C[*:1])s1
CCCc1nnc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)s1 CCCc1nnc(s1)[*:1] O=C(NC1CC[NH+](CC1)CC1CCCCC1)N[*:1]
CCCc1nnc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)s1 C1CCC(CC1)C[*:1] CCCc1nnc(NC(=O)NC2CC[NH+](CC2)[*:1])s1
O=C([O-])c1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])ccc1Cl O=C([O-])[*:1] O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(c1)[*:1]
O=C([O-])c1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])ccc1Cl O=C([O-])[*:1] O=C([O-])c1cc(ccc1Cl)NC(=O)[C@@H]1CCCC[C@H]1[*:1]
C[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)c1ccc(NS(C)(=O)=O)cc1 c1csc(c1)[*:1] C[C@@H](Sc1nnc(n1C)[*:1])C(=O)c1ccc(cc1)NS(C)(=O)=O
C[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)c1ccc(NS(C)(=O)=O)cc1 CS(=O)(=O)N[*:1] C[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)c1ccc(cc1)[*:1]
Cc1ccccc1-n1ncc(C(=O)OC[C@@H]2CCCCO2)c1C C1CC[C@H](OC1)[*:1] Cc1ccccc1-n1ncc(C(=O)OC[*:1])c1C
Cc1ccccc1-n1ncc(C(=O)OC[C@@H]2CCCCO2)c1C Cc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)OC[C@@H]1CCCCO1
Cc1ccccc1-n1ncc(C(=O)OC[C@@H]2CCCCO2)c1C C1CC[C@@H](C[*:1])OC1 Cc1ccccc1-n1ncc(C(=O)O[*:1])c1C
O=C([O-])c1ccc(N/N=C2/CCOc3ccccc32)cc1 O=C([O-])[*:1] c1ccc2/C(CCOc2c1)=N\Nc1ccc(cc1)[*:1]
O=C(NCc1cccnc1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 c1cncc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc(Cl)nc2[nH]cnc12
O=C(NCc1cccnc1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 c1cncc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nc(Cl)nc2[nH]cnc12
CC[NH2+][C@H]([C@@H]1CCOC1)[C@@H]1CCCc2cccnc21 C1C[C@H](CO1)[*:1] CC[NH2+][C@H]([C@@H]1CCCc2cccnc21)[*:1]
CCOc1cc([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)ccc1OCC(N)=O CCO[*:1] CC1N=N[C@@H]2OC(N)=C(C#N)[C@@H](C=12)c1ccc(OCC(N)=O)c(c1)[*:1]
CCOc1cc([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)ccc1OCC(N)=O NC(=O)[*:1] CCOc1cc(ccc1OC[*:1])[C@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C21
CCOc1cc([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)ccc1OCC(N)=O NC(=O)CO[*:1] CCOc1cc(ccc1[*:1])[C@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C21
CCOc1cc([C@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C32)ccc1OCC(N)=O NC(=O)C[*:1] CCOc1cc(ccc1O[*:1])[C@H]1C(C#N)=C(N)O[C@H]2N=NC(C)=C21
CCCn1c(=N)n(CC(=O)OC)c2ccccc21 COC(=O)[*:1] CCCn1c(=N)n(C[*:1])c2ccccc21
CCCn1c(=N)n(CC(=O)OC)c2ccccc21 CCC[*:1] COC(=O)Cn1c(=N)n(c2ccccc21)[*:1]
CCCn1c(=N)n(CC(=O)OC)c2ccccc21 COC(=O)C[*:1] CCCn1c(=N)n(c2ccccc21)[*:1]
[NH3+]CC(=O)c1cccc(OCC(F)(F)F)c1 [NH3+]CC(=O)[*:1] FC(F)(F)COc1cccc(c1)[*:1]
[NH3+]CC(=O)c1cccc(OCC(F)(F)F)c1 FC(F)(F)C[*:1] [NH3+]CC(=O)c1cccc(c1)O[*:1]
[NH3+]CC(=O)c1cccc(OCC(F)(F)F)c1 FC(F)(F)[*:1] [NH3+]CC(=O)c1cccc(c1)OC[*:1]
O=C(NCCS(=O)(=O)N1CCSCC1)c1cc2ccccc2n1Cc1ccccc1F Fc1ccccc1[*:1] O=C(NCCS(=O)(=O)N1CCSCC1)c1cc2ccccc2n1C[*:1]
O=C(NCCS(=O)(=O)N1CCSCC1)c1cc2ccccc2n1Cc1ccccc1F O=S(=O)(N1CCSCC1)[*:1] O=C(NCC[*:1])c1cc2ccccc2n1Cc1ccccc1F
O=C(NCCS(=O)(=O)N1CCSCC1)c1cc2ccccc2n1Cc1ccccc1F Fc1ccccc1C[*:1] O=C(NCCS(=O)(=O)N1CCSCC1)c1cc2ccccc2n1[*:1]
CC[C@H](C)n1cnc(S(=O)(=O)N2CCN(c3[nH+]ccn3C)CC2)c1 CC[C@H](C)[*:1] Cn1cc[nH+]c1N1CCN(CC1)S(=O)(=O)c1cn(cn1)[*:1]
Cc1ccn(C[C@H](C)[NH2+]Cc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 Cc1ccn(n1)[*:1] C[C@@H](C[*:1])[NH2+]Cc1cc(c[nH]c1=O)-c1ccc(Cl)cc1
Cc1ccn(C[C@H](C)[NH2+]Cc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 Cc1ccn(C[*:1])n1 C[C@H]([NH2+]Cc1cc(c[nH]c1=O)-c1ccc(Cl)cc1)[*:1]
Cc1ccn(C[C@H](C)[NH2+]Cc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 Clc1ccc(cc1)[*:1] Cc1ccn(C[C@H](C)[NH2+]Cc2cc(c[nH]c2=O)[*:1])n1
CSCC(=O)NNC(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21 CSC[*:1] O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)NNC(=O)[*:1]
CCN(C(=O)c1ccc(OC)cc1)c1ccccc1S(=O)(=O)CC CCS(=O)(=O)[*:1] CCN(C(=O)c1ccc(cc1)OC)c1ccccc1[*:1]
CCN(C(=O)c1ccc(OC)cc1)c1ccccc1S(=O)(=O)CC COc1ccc(cc1)[*:1] CCN(C(=O)[*:1])c1ccccc1S(=O)(=O)CC
O=C(OCCNc1cccnn1)c1ccc(Br)cc1F c1cnnc(c1)[*:1] O=C(OCCN[*:1])c1ccc(Br)cc1F
C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)N[C@@H](c1cccc(Cl)c1)[*:1]
C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C[C@@H]1O Clc1cccc(c1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)N[C@@H](c1ccccc1)[*:1]
O=C(NCC#Cc1ccccc1)c1cc(Cl)cc2cccnc12 c1ccc(cc1)[*:1] O=C(NCC#C[*:1])c1cc(Cl)cc2cccnc12
Cc1cc(CSc2ccccc2C(=O)NCc2cn3ccccc3n2)no1 Cc1cc(C[*:1])no1 O=C(NCc1cn2ccccc2n1)c1ccccc1S[*:1]
Cc1cc(CSc2ccccc2C(=O)NCc2cn3ccccc3n2)no1 Cc1cc(CS[*:1])no1 O=C(NCc1cn2ccccc2n1)c1ccccc1[*:1]
Cc1cc(CSc2ccccc2C(=O)NCc2cn3ccccc3n2)no1 Cc1cc(no1)[*:1] O=C(NCc1cn2ccccc2n1)c1ccccc1SC[*:1]
Cc1cc(CSc2ccccc2C(=O)NCc2cn3ccccc3n2)no1 c1ccn2cc(nc2c1)[*:1] Cc1cc(CSc2ccccc2C(=O)NC[*:1])no1
COc1cc(C(=O)NCc2ccc3ccccc3c2)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OC[*:1])C(=O)NCc1ccc2ccccc2c1
COc1cc(C(=O)NCc2ccc3ccccc3c2)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(ccc1O[*:1])C(=O)NCc1ccc2ccccc2c1
COc1cc(C(=O)NCc2ccc3ccccc3c2)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(ccc1[*:1])C(=O)NCc1ccc2ccccc2c1
CC(C)Sc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 CC(C)Sc1ccc(cc1)[*:1] O=C(N(Cc1ccccn1)c1nc2ccc(cc2s1)[N+](=O)[O-])[*:1]
CC(C)Sc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 c1ccc(C[*:1])nc1 CC(C)Sc1ccc(cc1)C(=O)N(c1nc2ccc(cc2s1)[N+](=O)[O-])[*:1]
CC(C)Sc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 c1ccc(nc1)[*:1] CC(C)Sc1ccc(cc1)C(=O)N(C[*:1])c1nc2ccc(cc2s1)[N+](=O)[O-]
CC(C)Sc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 O=[N+]([O-])[*:1] CC(C)Sc1ccc(cc1)C(=O)N(Cc1ccccn1)c1nc2ccc(cc2s1)[*:1]
CC(C)Sc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 CC(C)S[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccccn1)c1nc2ccc(cc2s1)[N+](=O)[O-]
CC(C)Sc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)S[*:1])N(Cc1ccccn1)c1nc2ccc(cc2s1)[N+](=O)[O-]
CCOC(=O)c1c(C)oc2c1c(/C=[NH+]/c1ccccn1)c([O-])c1ccccc12 CCOC(=O)[*:1] Cc1oc2c(c(/C=[NH+]/c3ccccn3)c([O-])c3ccccc32)c1[*:1]
CCOC(=O)c1c(C)oc2c1c(/C=[NH+]/c1ccccn1)c([O-])c1ccccc12 c1ccc(nc1)[*:1] CCOC(=O)c1c(C)oc2c1c(C=[NH+][*:1])c([O-])c1ccccc12
COc1ccccc1N1CCN(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 Clc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CCNC(=O)C2(CCCC2)[*:1])CC1
COc1ccccc1N1CCN(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 COc1ccccc1[*:1] O=C(NCCN1CCN(CC1)[*:1])C1(CCCC1)c1ccc(Cl)cc1
CCCc1nn(C)c2c1[nH]c(=S)n2CC[NH+]1CCCCC1 CCC[*:1] Cn1nc(c2[nH]c(=S)n(CC[NH+]3CCCCC3)c21)[*:1]
Cc1cc([C@H]2OCC[C@H]2C[NH2+]C(C)(C)C)c(C)s1 CC(C)(C)[*:1] Cc1cc(c(C)s1)[C@H]1OCC[C@H]1C[NH2+][*:1]
CC(C)[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1 CC(C)[*:1] c1ccc(cc1)[C@H]1C[NH2+]CC[C@H]1[*:1]
C[C@@H](O)C[C@@H](CNC(=O)c1ccon1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](O)C[C@@H](CNC(=O)c1ccon1)[*:1]
C[C@@H](O)C[C@@H](CNC(=O)c1ccon1)c1ccccc1 c1cc(no1)[*:1] C[C@@H](O)C[C@@H](CNC(=O)[*:1])c1ccccc1
C[C@@H](O)C[C@@H](CNC(=O)c1ccon1)c1ccccc1 C[C@@H](O)C[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])c1ccon1
C[C@@H](O)C[C@@H](CNC(=O)c1ccon1)c1ccccc1 C[C@@H](O)[*:1] O=C(NC[C@H](C[*:1])c1ccccc1)c1ccon1
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)c1ccccc1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1 c1ccc(cc1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
CN1C(=O)/C(=C/c2ccccn2)S/C1=N\c1cccc(O)c1 Oc1cccc(c1)[*:1] CN1C(=O)/C(=C/c2ccccn2)SC1=N[*:1]
CN1C(=O)/C(=C/c2ccccn2)S/C1=N\c1cccc(O)c1 c1ccc(nc1)[*:1] CN1C(=O)C(=C[*:1])S/C1=N\c1cccc(O)c1
COc1cc(/C=C/C(=O)Nc2cncc3ccccc23)ccc1OCC#N N#CC[*:1] COc1cc(/C=C/C(=O)Nc2cncc3ccccc23)ccc1O[*:1]
COc1cc(/C=C/C(=O)Nc2cncc3ccccc23)ccc1OCC#N N#CCO[*:1] COc1cc(/C=C/C(=O)Nc2cncc3ccccc23)ccc1[*:1]
O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 C1CCN(CC1)[*:1] O=C(Cc1ccc(Cl)cc1)N1CCN(CC1)c1ccnc(n1)[*:1]
O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 Clc1ccc(cc1)C[*:1] O=C(N1CCN(CC1)c1ccnc(n1)N1CCCCC1)[*:1]
O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 Clc1ccc(cc1)[*:1] O=C(C[*:1])N1CCN(CC1)c1ccnc(n1)N1CCCCC1
C[C@@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccc(cc1)[*:1]
C[NH+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc([O-])c2sccc2n1 Clc1cccc(Cl)c1[*:1] C[NH+](CC(=O)N[*:1])Cc1nc([O-])c2sccc2n1
COC(=O)/C=C/c1ccc(-c2cc(Cl)c(C)cc2[N+](=O)[O-])o1 O=[N+]([O-])[*:1] COC(=O)/C=C/c1ccc(o1)-c1cc(Cl)c(C)cc1[*:1]
COC(=O)/C=C/c1ccc(-c2cc(Cl)c(C)cc2[N+](=O)[O-])o1 COC(=O)C=C[*:1] Cc1cc(c(cc1Cl)-c1ccc(o1)[*:1])[N+](=O)[O-]
COC(=O)/C=C/c1ccc(-c2cc(Cl)c(C)cc2[N+](=O)[O-])o1 COC(=O)[*:1] Cc1cc(c(cc1Cl)-c1ccc(C=C[*:1])o1)[N+](=O)[O-]
CS(=O)(=O)CCCc1ccc(Cl)cc1 CS(=O)(=O)[*:1] Clc1ccc(cc1)CCC[*:1]
NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 NS(=O)(=O)[*:1] O=S(=O)(c1ccc(cc1)[*:1])C(F)(F)F
NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 FC(F)(F)[*:1] NS(=O)(=O)c1ccc(cc1)S(=O)(=O)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N1C[C@@H](CO)OC[C@H]1C c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)N1C[C@@H](CO)OC[C@H]1C)[*:1]
CCCc1noc2nc(C3CC3)cc(C(=O)N3CCCSCC3)c12 CCC[*:1] O=C(c1cc(nc2onc(c12)[*:1])C1CC1)N1CCCSCC1
CCCc1noc2nc(C3CC3)cc(C(=O)N3CCCSCC3)c12 C1CC1[*:1] CCCc1noc2nc(cc(C(=O)N3CCCSCC3)c12)[*:1]
Cc1csc(CCCCNC(=O)[C@@H]2SCCc3sccc32)n1 Cc1csc(n1)[*:1] O=C(NCCCC[*:1])[C@@H]1SCCc2sccc21
Cc1csc(CCCCNC(=O)[C@@H]2SCCc3sccc32)n1 Cc1csc(C[*:1])n1 O=C(NCCC[*:1])[C@@H]1SCCc2sccc21
C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccc2c(c1)OCCCO2 O=C1CC[C@@H](CN1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc2OCCCOc2c1
CCCCCCNC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C CCCCCC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC(=O)N[*:1])C2=O
CCCCCCNC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C CCCCC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC(=O)NC[*:1])C2=O
CCCCCCNC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C CCCC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC(=O)NCC[*:1])C2=O
CCCCCCNC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C CCC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC(=O)NCCC[*:1])C2=O
C[C@H]1C[C@@H](C)CN(c2c(-c3ccccc3)c(=O)c2=O)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)c1c(c(=O)c1=O)[*:1]
CC(C)CC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 CC(C)C[*:1] O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)[*:1]
CC(C)CC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 CC(C)[*:1] O=C(C[*:1])N[C@H]1C[C@H]2CCCc3cccc1c32
CCCOc1ccc([C@H](C)[C@@H]([NH3+])C(C)C)cc1 CCC[*:1] CC(C)[C@H]([NH3+])[C@@H](C)c1ccc(cc1)O[*:1]
CCCOc1ccc([C@H](C)[C@@H]([NH3+])C(C)C)cc1 CCCO[*:1] CC(C)[C@H]([NH3+])[C@@H](C)c1ccc(cc1)[*:1]
CCCOc1ccc([C@H](C)[C@@H]([NH3+])C(C)C)cc1 CC(C)[*:1] CCCOc1ccc(cc1)[C@H](C)[C@@H]([NH3+])[*:1]
CNC(=O)c1ccc(OC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 c1coc(c1)[*:1] CNC(=O)c1ccc(cc1)OC(=O)c1cc(nc2ccccc12)[*:1]
CNC(=O)c1ccc(OC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 CNC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1cc(nc2ccccc12)-c1ccco1
Cc1nc(-c2ccc(CNC(=O)Cn3cnc4c(cnn4C)c3=O)cc2)cs1 Cc1nc(cs1)[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)NCc1ccc(cc1)[*:1]
C[C@@H]1C[C@@H](Nc2cccc(-c3nccs3)c2)CS1 c1csc(n1)[*:1] C[C@@H]1C[C@H](CS1)Nc1cccc(c1)[*:1]
COCc1cccc(NC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 COC[*:1] O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)Nc1cccc(c1)[*:1]
COCc1cccc(NC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 C1CN(CCO1)[*:1] COCc1cccc(c1)NC(=O)NC[C@H](c1ccc(F)cc1)[*:1]
COCc1cccc(NC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 COCc1cccc(c1)[*:1] O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)N[*:1]
COCc1cccc(NC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 Fc1ccc(cc1)[*:1] COCc1cccc(c1)NC(=O)NC[C@H](N1CCOCC1)[*:1]
[NH3+]CC(=O)N1CCC[C@H]1c1ccc(C(=O)NCC2=NN=C(C3CC3)C2)s1 C1CC1[*:1] [NH3+]CC(=O)N1CCC[C@H]1c1ccc(s1)C(=O)NCC1CC(=NN=1)[*:1]
CCOc1ccc(OCC)c(NC(=O)c2cc(C)n(C)n2)c1 CCO[*:1] CCOc1ccc(cc1NC(=O)c1cc(C)n(C)n1)[*:1]
CCOc1ccc(OCC)c(NC(=O)c2cc(C)n(C)n2)c1 Cc1cc(nn1C)[*:1] CCOc1ccc(OCC)c(c1)NC(=O)[*:1]
CCOc1ccc(OCC)c(NC(=O)c2cc(C)n(C)n2)c1 CCO[*:1] CCOc1ccc(c(c1)NC(=O)c1cc(C)n(C)n1)[*:1]
COc1ccc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 COc1ccc(cc1)[*:1] O[C@@H]1[C@H](O)C[C@H](c2ccc(cc2)C(F)(F)F)[C@H]1NC[*:1]
COc1ccc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(cc1)[*:1]
COc1ccc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 COc1ccc(cc1)C[*:1] O[C@@H]1[C@H](O)C[C@H](c2ccc(cc2)C(F)(F)F)[C@H]1N[*:1]
CC(=O)/N=C1\NC(=O)/C(=C\c2cn(C(C)=O)nc2-c2ccccc2)S1 c1ccc(cc1)[*:1] CC(=O)/N=C1\NC(=O)/C(=C\c2cn(nc2[*:1])C(C)=O)S1
CC(C)CN1C[C@@H](C(=O)NCCN2CCN(c3ccccc3)CC2)CC1=O c1ccc(cc1)[*:1] CC(C)CN1C[C@H](CC1=O)C(=O)NCCN1CCN(CC1)[*:1]
CC(C)CN1C[C@@H](C(=O)NCCN2CCN(c3ccccc3)CC2)CC1=O CC(C)C[*:1] O=C(NCCN1CCN(CC1)c1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)CN1C[C@@H](C(=O)NCCN2CCN(c3ccccc3)CC2)CC1=O CC(C)[*:1] O=C(NCCN1CCN(CC1)c1ccccc1)[C@H]1CC(=O)N(C1)C[*:1]
CC[NH+]1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 FC(F)(F)[*:1] CC[NH+]1CCN(CC1)[C@H]1CCN(C1=O)c1cccc(c1)O[*:1]
CC[NH+]1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 FC(F)(F)O[*:1] CC[NH+]1CCN(CC1)[C@H]1CCN(C1=O)c1cccc(c1)[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])NC(=O)[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NC(=O)c1ccccc1
COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 COc1ccc(OC)c(c1)[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N(C)CC(=O)N[*:1]
C[C@H](NC(=S)NNC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C1CC1 C1CC1[*:1] C[C@H](NC(=S)NNC(=O)[C@H]1CCCN(C1)C(=O)c1ccccc1)[*:1]
C[C@H](NC(=S)NNC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C1CC1 c1ccc(cc1)[*:1] C[C@H](NC(=S)NNC(=O)[C@H]1CCCN(C1)C(=O)[*:1])C1CC1
C[C@H](NC(=S)NNC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C1CC1 C[C@H](C1CC1)[*:1] O=C(NNC(=S)N[*:1])[C@H]1CCCN(C1)C(=O)c1ccccc1
CC(C)C(=O)Nc1cc(C(=O)N2CCCCCC2)nn1-c1ccccc1 CC(C)[*:1] O=C(c1cc(NC(=O)[*:1])n(n1)-c1ccccc1)N1CCCCCC1
CC(C)C(=O)Nc1cc(C(=O)N2CCCCCC2)nn1-c1ccccc1 CC(C)C(=O)N[*:1] O=C(c1cc(n(n1)-c1ccccc1)[*:1])N1CCCCCC1
CC(C)C(=O)Nc1cc(C(=O)N2CCCCCC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1cc(nn1[*:1])C(=O)N1CCCCCC1
Cc1ccncc1NC(=O)NCC[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccncc1NC(=O)NCC[C@H](C)[*:1]
Cc1ccncc1NC(=O)NCC[C@H](C)c1ccccc1 Cc1ccncc1[*:1] C[C@@H](CCNC(=O)N[*:1])c1ccccc1
CN1C(=O)c2ccccc2N[C@H]1/C=C/c1cn(Cc2ccccc2)nn1 c1ccc(cc1)[*:1] CN1C(=O)c2ccccc2N[C@H]1/C=C/c1cn(C[*:1])nn1
CN1C(=O)c2ccccc2N[C@H]1/C=C/c1cn(Cc2ccccc2)nn1 c1ccc(cc1)C[*:1] CN1C(=O)c2ccccc2N[C@H]1/C=C/c1cn(nn1)[*:1]
CCCOc1ccc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 CCC[*:1] O=C(NCc1ccc(cc1)O[*:1])[C@@H]1C[C@@H]2C=C[C@H]1C2
CCCOc1ccc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 CCCO[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1C[C@@H]2C=C[C@H]1C2
C[C@@H](SCc1nnnn1C1CC1)C(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@@H](SCc1nnnn1C1CC1)C(=O)NC[*:1]
C[C@@H](SCc1nnnn1C1CC1)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@@H](SCc1nnnn1C1CC1)C(=O)N[*:1]
C[C@@H](SCc1nnnn1C1CC1)C(=O)NCC(F)(F)F C1CC1[*:1] C[C@@H](SCc1nnnn1[*:1])C(=O)NCC(F)(F)F
Cc1c(-c2nc3cc(Cl)ccc3o2)cccc1N1C[C@@H](C(=O)Cl)CC1=O O=C(Cl)[*:1] Cc1c(cccc1N1C[C@@H](CC1=O)[*:1])-c1nc2cc(Cl)ccc2o1
CC[C@@H](NC(=O)N1CCN(C(=O)C2CCCCC2)CC1)c1ccc(OC)cc1 C1CCC(CC1)[*:1] CC[C@@H](NC(=O)N1CCN(CC1)C(=O)[*:1])c1ccc(cc1)OC
CC[C@@H](NC(=O)N1CCN(C(=O)C2CCCCC2)CC1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H](NC(=O)N1CCN(CC1)C(=O)C1CCCCC1)[*:1]
Cc1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)nc2)c1C Brc1ccc(cc1)[*:1] Cc1cccc(NC(=O)c2ccc(nc2)S(=O)(=O)[*:1])c1C
Cc1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)nc2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])c1ccc(nc1)S(=O)(=O)c1ccc(Br)cc1
Cc1cncc(C(=O)NCCCc2nc(C(C)C)no2)c1 CC(C)[*:1] Cc1cncc(c1)C(=O)NCCCc1nc(no1)[*:1]
Cc1cncc(C(=O)NCCCc2nc(C(C)C)no2)c1 Cc1cncc(c1)[*:1] CC(C)c1noc(CCCNC(=O)[*:1])n1
C=CC[NH+](CC1CC[NH2+]CC1)C(C)C CC(C)[*:1] C=CC[NH+](CC1CC[NH2+]CC1)[*:1]
C=CC[NH+](CC1CC[NH2+]CC1)C(C)C C=CC[*:1] CC(C)[NH+](CC1CC[NH2+]CC1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)Cc1ccc(Cl)nc1 Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)N(C)Cc1ccc(Cl)nc1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)Cc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)C[*:1]
CC(C)c1ccc(S(=O)(=O)c2cnc(N3CCC[C@@H](C)C3)nc2N)cc1 CC(C)[*:1] C[C@@H]1CCCN(C1)c1ncc(c(N)n1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)c2cnc(N3CCC[C@@H](C)C3)nc2N)cc1 C[C@@H]1CCCN(C1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)c1cnc(nc1N)[*:1]
CS[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)C1 c1ccc(cc1)[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)CNC(=O)c1cc(on1)[*:1]
C[C@@H]1Cc2ccccc2N([C@H](C[NH3+])CC(N)=O)C1 NC(=O)C[*:1] C[C@@H]1Cc2ccccc2N(C1)[C@H](C[NH3+])[*:1]
C[C@@H]1Cc2ccccc2N([C@H](C[NH3+])CC(N)=O)C1 NC(=O)[*:1] C[C@@H]1Cc2ccccc2N(C1)[C@H](C[NH3+])C[*:1]
CC(C)(C)[NH2+]C[C@@H]1CCCO[C@@H]1C1CC1 CC(C)(C)[*:1] C1CO[C@H](C2CC2)[C@@H](C1)C[NH2+][*:1]
CC(C)(C)[NH2+]C[C@@H]1CCCO[C@@H]1C1CC1 C1CC1[*:1] CC(C)(C)[NH2+]C[C@@H]1CCCO[C@H]1[*:1]
COc1cc(OC)cc(C(=O)N2CCc3nc(NC(=O)c4ccccn4)sc3C2)c1 COc1cc(cc(c1)[*:1])OC O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])c1ccccn1
COc1cc(OC)cc(C(=O)N2CCc3nc(NC(=O)c4ccccn4)sc3C2)c1 c1ccc(nc1)[*:1] COc1cc(cc(c1)C(=O)N1CCc2nc(NC(=O)[*:1])sc2C1)OC
COc1cc(OC)cc(C(=O)N2CCc3nc(NC(=O)c4ccccn4)sc3C2)c1 O=C(N[*:1])c1ccccn1 COc1cc(cc(c1)C(=O)N1CCc2nc(sc2C1)[*:1])OC
COc1ccc(S(=O)(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc2cc(CCNS(=O)(=O)[*:1])c(=O)[nH]c2c1C
COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl COC[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(ccc1Cl)C(F)(F)F)[*:1]
COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(ccc1Cl)[*:1]
CSCc1cccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1 CSC[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
C#CCn1c(COc2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] C#CCn1c(CO[*:1])nc2ccccc21
C#CCn1c(COc2ccccc2)nc2ccccc21 C#CC[*:1] c1ccc(cc1)OCc1nc2ccccc2n1[*:1]
C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(F)cn1 c1coc(c1)[*:1] C[C@@H]([NH2+]C[C@@H](N(C)C)[*:1])c1ccc(F)cn1
C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(F)cn1 CN(C)[*:1] C[C@@H]([NH2+]C[C@@H](c1ccco1)[*:1])c1ccc(F)cn1
Cc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c(C)c1 C1CN(CCO1)[*:1] Cc1ccc(CCC(=O)NCc2ccc([nH+]c2)[*:1])c(C)c1
Cc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CC[*:1])NCc1ccc([nH+]c1)N1CCOCC1
COc1ccc(C2=C[C@@H]([C@@H]3NN[C@@H](SCC(=O)Nc4c(C)cccc4C)N3N)N=N2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CS[C@@H]1NN[C@@H]([C@@H]2C=C(N=N2)[*:1])N1N
COc1ccc(C2=C[C@@H]([C@@H]3NN[C@@H](SCC(=O)Nc4c(C)cccc4C)N3N)N=N2)cc1 Cc1cccc(C)c1[*:1] COc1ccc(cc1)C1=C[C@H](N=N1)[C@@H]1NN[C@@H](SCC(=O)N[*:1])N1N
Cc1ccc(CNC(=O)[C@]2(C)Oc3ccc(Cl)cc3NC2=O)cc1 Cc1ccc(cc1)C[*:1] C[C@]1(Oc2ccc(Cl)cc2NC1=O)C(=O)N[*:1]
Cc1ccc(CNC(=O)[C@]2(C)Oc3ccc(Cl)cc3NC2=O)cc1 Cc1ccc(cc1)[*:1] C[C@]1(Oc2ccc(Cl)cc2NC1=O)C(=O)NC[*:1]
N[C@H](c1ccc(Cl)cc1)c1nc(-c2ccc(I)cc2)n[nH]1 Clc1ccc(cc1)[*:1] N[C@H](c1nc(n[nH]1)-c1ccc(I)cc1)[*:1]
N[C@H](c1ccc(Cl)cc1)c1nc(-c2ccc(I)cc2)n[nH]1 Ic1ccc(cc1)[*:1] N[C@H](c1ccc(Cl)cc1)c1nc(n[nH]1)[*:1]
COc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2c(ncn2C(C)C)n1 COc1ccccc1[*:1] CC(C)n1cnc2nc(cc(=O)n21)COc1ccccc1NC(=O)N[*:1]
COc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2c(ncn2C(C)C)n1 CC(C)[*:1] COc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2c(ncn2[*:1])n1
CC[NH2+]C[C@@H](Oc1cccnc1C)C(C)C CC(C)[*:1] CC[NH2+]C[C@@H](Oc1cccnc1C)[*:1]
NC(=O)[C@@H]1CCN(C(=O)CCOc2cccc(Cl)c2)C1 NC(=O)[*:1] O=C(CCOc1cccc(Cl)c1)N1CC[C@H](C1)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)C[NH+](C)Cc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)C[NH+](C)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)C[NH+](C)Cc2ccc(C#N)cc2)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)C[NH+](C)Cc1ccc(C#N)cc1
Cc1ccc(NC(=O)CN(C)C(=O)C[NH+](C)Cc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)C[NH+](C)C[*:1]
CCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccccc1 CCc1ccccc1[*:1] C[NH+](CC(=O)Nc1ccccc1)CC(=O)N[*:1]
CCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)C[NH+](C)CC(=O)N[*:1]
CC(C)CC[C@@H](C)NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 CC(C)CC[C@@H](C)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc2OCOc2c1
CC(C)CC[C@@H](C)NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)N[C@H](C)c1ccc2OCOc2c1
CC(C)CC[C@@H](C)NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)N[C@H](C)c1ccc2OCOc2c1
CC(C)CC[C@@H](C)NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 CC(C)CC[*:1] C[C@@H](NC(=O)N[C@H](C)[*:1])c1ccc2OCOc2c1
Cc1ccc(S(=O)(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)Cc1c[nH]c2ccccc12)[*:1]
Cc1sc2nc(C[NH+](C(C)C)C3CCCC3)nc(N)c2c1C CC(C)[*:1] Cc1sc2nc(C[NH+](C3CCCC3)[*:1])nc(N)c2c1C
Cc1sc2nc(C[NH+](C(C)C)C3CCCC3)nc(N)c2c1C C1CCC(C1)[*:1] Cc1sc2nc(C[NH+](C(C)C)[*:1])nc(N)c2c1C
O=C1c2ccccc2[C@@](O)(c2ncc[nH]2)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1c2ccccc2[C@@](O)(c2ncc[nH]2)N1[*:1]
CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NC[C@H]2C[C@H]3C=C[C@@H]2C3)c1=O CC(C)[*:1] CC(C)CN(C)C(=O)c1cn(cc(C(=O)NC[C@H]2C[C@H]3C=C[C@@H]2C3)c1=O)[*:1]
CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NC[C@H]2C[C@H]3C=C[C@@H]2C3)c1=O CC(C)C[*:1] CC(C)n1cc(C(=O)NC[C@H]2C[C@H]3C=C[C@@H]2C3)c(=O)c(c1)C(=O)N(C)[*:1]
CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NC[C@H]2C[C@H]3C=C[C@@H]2C3)c1=O CC(C)[*:1] CC(C)n1cc(C(=O)NC[C@H]2C[C@H]3C=C[C@@H]2C3)c(=O)c(c1)C(=O)N(C)C[*:1]
CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NC[C@H]2C[C@H]3C=C[C@@H]2C3)c1=O CC(C)CN(C)C(=O)[*:1] CC(C)n1cc(C(=O)NC[C@H]2C[C@H]3C=C[C@@H]2C3)c(=O)c(c1)[*:1]
Cc1cc(C)cc(CSC[C@@H]2CO2)c1 C1O[C@@H]1C[*:1] Cc1cc(C)cc(c1)CS[*:1]
Cc1cc(C)cc(CSC[C@@H]2CO2)c1 C1O[C@@H]1[*:1] Cc1cc(C)cc(c1)CSC[*:1]
CC(C)[C@H](NC(=O)c1cc(C(N)=O)cn1C)c1nnc2ccccn12 CC(C)[*:1] Cn1cc(cc1C(=O)N[C@H](c1nnc2ccccn12)[*:1])C(N)=O
CC(C)[C@H](NC(=O)c1cc(C(N)=O)cn1C)c1nnc2ccccn12 NC(=O)[*:1] CC(C)[C@H](NC(=O)c1cc(cn1C)[*:1])c1nnc2ccccn12
CCC(=O)N1CCC(N2Cc3ccccc3C[C@@H]2C(N)=O)CC1 NC(=O)[*:1] CCC(=O)N1CCC(CC1)N1Cc2ccccc2C[C@H]1[*:1]
CC(C)c1nccn1CC1=C[C@H](C(=O)NC[C@@H]2COc3ccccc3O2)N=N1 CC(C)c1nccn1C[*:1] O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1C=C(N=N1)[*:1]
CC(C)c1nccn1CC1=C[C@H](C(=O)NC[C@@H]2COc3ccccc3O2)N=N1 CC(C)c1nccn1[*:1] O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1C=C(C[*:1])N=N1
CC(C)c1nccn1CC1=C[C@H](C(=O)NC[C@@H]2COc3ccccc3O2)N=N1 CC(C)[*:1] O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1C=C(Cn2ccnc2[*:1])N=N1
CCOc1ccc(Oc2ncc([N+](=O)[O-])c(N)n2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)Oc1ncc(c(N)n1)[*:1]
CCOc1ccc(Oc2ncc([N+](=O)[O-])c(N)n2)cc1 CCO[*:1] Nc1nc(ncc1[N+](=O)[O-])Oc1ccc(cc1)[*:1]
CNS(=O)(=O)c1cc(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)ccc1OC Clc1ccc(cc1)[*:1] CNS(=O)(=O)c1cc(ccc1OC)C(=O)NCC1(CCCC1)[*:1]
CNS(=O)(=O)c1cc(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)ccc1OC CNS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)NCC1(CCCC1)c1ccc(Cl)cc1
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)C2 O=S(=O)(N1CCCCC1)[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)NC(=O)c1cccc(c1)[*:1]
C[C@H](CNC(=O)Nc1ccccc1Cl)C[NH+]1CCCCC1 Clc1ccccc1[*:1] C[C@H](CNC(=O)N[*:1])C[NH+]1CCCCC1
Cc1ccc(CC(CO)(CO)c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)CC(CO)(CO)[*:1]
CCCn1c(=O)n(Cc2ccc(OC)c(F)c2)c2ccccc21 CCC[*:1] COc1ccc(cc1F)Cn1c(=O)n(c2ccccc21)[*:1]
NC(=O)[C@@H](c1cccc(Cl)c1)c1ncc(C(F)(F)F)cc1Cl NC(=O)[*:1] FC(F)(F)c1cnc(c(Cl)c1)[C@H](c1cccc(Cl)c1)[*:1]
NC(=O)[C@@H](c1cccc(Cl)c1)c1ncc(C(F)(F)F)cc1Cl Clc1cccc(c1)[*:1] NC(=O)[C@@H](c1ncc(cc1Cl)C(F)(F)F)[*:1]
NC(=O)[C@@H](c1cccc(Cl)c1)c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] NC(=O)[C@@H](c1cccc(Cl)c1)c1ncc(cc1Cl)[*:1]
CCNC(=O)NC(=O)[C@H](OC(=O)c1c(C)nsc1NC)c1ccccc1 CNc1snc(C)c1[*:1] CCNC(=O)NC(=O)[C@H](OC(=O)[*:1])c1ccccc1
CCNC(=O)NC(=O)[C@H](OC(=O)c1c(C)nsc1NC)c1ccccc1 CCNC(=O)NC(=O)[*:1] CNc1snc(C)c1C(=O)O[C@H](c1ccccc1)[*:1]
CCNC(=O)NC(=O)[C@H](OC(=O)c1c(C)nsc1NC)c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)[C@H](OC(=O)c1c(C)nsc1NC)[*:1]
C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2cnc(Cl)s2)C1 Clc1ncc(s1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](CCOC[*:1])C1
CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2cnc(Cl)s2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](CCOCc2cnc(Cl)s2)C1
CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2cnc(Cl)s2)C1 Clc1ncc(C[*:1])s1 CC(C)(C)OC(=O)N1CCC[C@@H](CCO[*:1])C1
COC(=O)Nc1nc2c(s1)CN(CC(=O)N(C(C)C)C(C)C)CC2 COC(=O)N[*:1] CC(C)N(C(=O)CN1CCc2nc(sc2C1)[*:1])C(C)C
COC(=O)Nc1nc2c(s1)CN(CC(=O)N(C(C)C)C(C)C)CC2 CC(C)[*:1] COC(=O)Nc1nc2CCN(CC(=O)N(C(C)C)[*:1])Cc2s1
COCc1ccc(C(=O)Nc2cc(F)ccc2F)cc1 COC[*:1] O=C(Nc1cc(F)ccc1F)c1ccc(cc1)[*:1]
O=C([O-])c1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1 O=C([O-])[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])c1cccc2ccccc12
CSc1nc([O-])nc(C)c1C(=O)N1CCC(OCc2ccccc2C)CC1 Cc1ccccc1CO[*:1] CSc1nc([O-])nc(C)c1C(=O)N1CCC(CC1)[*:1]
CSc1nc([O-])nc(C)c1C(=O)N1CCC(OCc2ccccc2C)CC1 Cc1ccccc1[*:1] CSc1nc([O-])nc(C)c1C(=O)N1CCC(CC1)OC[*:1]
CSc1nc([O-])nc(C)c1C(=O)N1CCC(OCc2ccccc2C)CC1 Cc1ccccc1C[*:1] CSc1nc([O-])nc(C)c1C(=O)N1CCC(CC1)O[*:1]
COC(=O)C(C)(C)C[NH2+]Cc1cccc(C)n1 COC(=O)[*:1] Cc1cccc(C[NH2+]CC(C)(C)[*:1])n1
O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc(Cl)cc(Cl)c1 C1CN(CCO1)[*:1] O=C(NC[C@@H](c1ccco1)[*:1])c1cc(Cl)cc(Cl)c1
O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(NC[C@@H](c1ccco1)N1CCOCC1)[*:1]
O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc(Cl)cc(Cl)c1 c1coc(c1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1cc(Cl)cc(Cl)c1
CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)o1)c1cccc(C(F)(F)F)c1 CC(C)[*:1] NC(=O)c1ccc(C[NH2+][C@@H](c2cccc(c2)C(F)(F)F)[*:1])o1
CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)o1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(o1)C(N)=O)c1cccc(c1)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)o1)c1cccc(C(F)(F)F)c1 NC(=O)[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(o1)[*:1])c1cccc(c1)C(F)(F)F
CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)o1)c1cccc(C(F)(F)F)c1 NC(=O)c1ccc(o1)[*:1] CC(C)[C@@H]([NH2+]C[*:1])c1cccc(c1)C(F)(F)F
CSC[C@@H]1CCN(C(=O)c2cccc(-c3ccoc3)c2)C1 c1cc(co1)[*:1] CSC[C@@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
CSC[C@@H]1CCN(C(=O)c2cccc(-c3ccoc3)c2)C1 CSC[*:1] O=C(c1cccc(c1)-c1ccoc1)N1CC[C@H](C1)[*:1]
Cc1ccc([C@H](C)NC(=O)C(=O)N2CC3(CC3)c3ccccc32)cc1F Cc1ccc(cc1F)[*:1] C[C@H](NC(=O)C(=O)N1CC2(CC2)c2ccccc21)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1NC(=O)Nc1ccccc1[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1C(F)(F)F O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)Nc1ccccc1C(F)(F)F)[*:1]
Cc1cccnc1C[C@H](O)c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1cccnc1C[C@H](O)c1ccc(cc1)[*:1]
CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)ccc3OC)cc21 COc1ccc(C)cc1[*:1] CCS(=O)(=O)N1CCCc2ccc(cc21)NS(=O)(=O)[*:1]
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nn(CCO)c(N)c1C#N OCC[*:1] COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nn(c(N)c1C#N)[*:1]
CC(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)C(=O)N1CCC[C@@H](C1)[*:1]
CC(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 CC(C)[*:1] O=C([O-])[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
Cc1noc(CCN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1 Cc1noc(n1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NCC[*:1]
Cc1noc(CCN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1 Cc1noc(CC[*:1])n1 Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)N[*:1]
Cc1noc(CCN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1 Fc1ccc(cc1)[*:1] Cc1noc(CCN[C@H](C)c2cnn(c2C)[*:1])n1
Cc1noc(CCN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1 Cc1noc(C[*:1])n1 Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NC[*:1]
N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)NC1CCCC1 C1CCC(C1)[*:1] N#C[C@@H](C(=O)CCC(=O)c1ccc2CCCCc2c1)C(=O)N[*:1]
N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] N#C[C@@H](C(=O)CCC(=O)c1ccc2CCCCc2c1)[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1O O[C@H]1CCCC[C@@H]1[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1O CC(C)(C)[*:1] O=C(Nc1ccnn1[*:1])C(=O)N[C@H]1CCCC[C@@H]1O
O=C([O-])c1ccc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc1 O=C([O-])[*:1] O[C@@H]1CO[C@H](Nc2ccc(cc2)[*:1])[C@H](O)[C@@H]1O
Cc1cc2c(N[C@@H](C)[C@@H]3CCCO3)ncnc2s1 C1CO[C@@H](C1)[*:1] Cc1cc2c(ncnc2s1)N[C@@H](C)[*:1]
COc1cccc([C@@H](C)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1 COc1cccc(c1)[*:1] C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
COc1cccc([C@@H](C)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H](C)N[C@H]1CCCN(C[*:1])C1=O
COc1cccc([C@@H](C)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)[C@@H](C)N[C@H]1CCCN(C1=O)[*:1]
CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(Cl)c(OC)c(OC)c1 CCOC(=O)[*:1] COc1cc(cc(Cl)c1OC)[C@@H]1C(=C(C)Nc2ncnn21)[*:1]
CC(=O)N(C)c1cccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 CC(=O)N(C)[*:1] CN(CC(=O)Nc1cccc(c1)[*:1])c1ccccc1[N+](=O)[O-]
CC(=O)N(C)c1cccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)CN(C)c1ccccc1[*:1]
Nc1ccc(Cl)c(NC(=O)CSCc2ccco2)c1 c1coc(c1)[*:1] Nc1ccc(Cl)c(c1)NC(=O)CSC[*:1]
Nc1ccc(Cl)c(NC(=O)CSCc2ccco2)c1 c1coc(c1)C[*:1] Nc1ccc(Cl)c(c1)NC(=O)CS[*:1]
O=C(COC(=O)c1ccc2c(c1)OCCO2)NC(c1ccccc1)c1ccccc1 c1cc2OCCOc2cc1[*:1] O=C(COC(=O)[*:1])NC(c1ccccc1)c1ccccc1
O=C(COC(=O)c1ccc2c(c1)OCCO2)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(COC(=O)c1ccc2OCCOc2c1)NC(c1ccccc1)[*:1]
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(CC(=O)Nc1ccc(Cl)cc1)=N[*:1]
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\c1ccc(Br)cc1 Clc1ccc(cc1)[*:1] C/C(CC(=O)N[*:1])=N\c1ccc(Br)cc1
C[C@H]1CCC[C@@H](NC(=O)CSc2nncn2-c2cccc(Cl)c2)[C@@H]1C Clc1cccc(c1)[*:1] C[C@H]1CCC[C@@H](NC(=O)CSc2nncn2[*:1])[C@@H]1C
CC(C)N(C(=O)Cn1nc(-c2cccc(Br)c2)ccc1=O)C(C)C Brc1cccc(c1)[*:1] CC(C)N(C(=O)Cn1nc(ccc1=O)[*:1])C(C)C
CC(C)N(C(=O)Cn1nc(-c2cccc(Br)c2)ccc1=O)C(C)C CC(C)[*:1] CC(C)N(C(=O)Cn1nc(ccc1=O)-c1cccc(Br)c1)[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2nc4ccccc4s2)CC3)no1 Cc1cc(no1)C(=O)N[*:1] O=C(c1nc2ccccc2s1)N1CCc2nc(sc2C1)[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2nc4ccccc4s2)CC3)no1 Cc1cc(no1)[*:1] O=C(c1nc2ccccc2s1)N1CCc2nc(NC(=O)[*:1])sc2C1
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2nc4ccccc4s2)CC3)no1 c1ccc2sc(nc2c1)[*:1] Cc1cc(no1)C(=O)Nc1nc2CCN(Cc2s1)C(=O)[*:1]
CCCNc1ncc(CSc2nnc(C)s2)s1 CCCN[*:1] Cc1nnc(SCc2cnc(s2)[*:1])s1
CCCNc1ncc(CSc2nnc(C)s2)s1 CCC[*:1] Cc1nnc(SCc2cnc(N[*:1])s2)s1
CCOC[C@H]1CCN(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)C1 Cn1ccnc1[*:1] CCOC[C@H]1CCN(C1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CCOC[C@H]1CCN(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)C1 Fc1ccc(cc1)[*:1] CCOC[C@H]1CCN(C1)C(=O)N[C@H](c1nccn1C)[*:1]
CCOC[C@H]1CCN(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)C1 CCO[*:1] Cn1ccnc1[C@H](NC(=O)N1CC[C@@H](C1)C[*:1])c1ccc(F)cc1
CCOC[C@H]1CCN(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)C1 CCOC[*:1] Cn1ccnc1[C@H](NC(=O)N1CC[C@@H](C1)[*:1])c1ccc(F)cc1
CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)[C@H]1CO1 C[C@@](O)(C[*:1])[C@H]1CO1 CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2C[*:1]
CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)[C@H]1CO1 C1O[C@H]1[*:1] CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)[*:1]
CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)[C@H]1CO1 C[C@@](O)([C@H]1CO1)[*:1] CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[*:1]
Cc1cc(C)c(-c2ccc([C@H](O)CN3CCOCC3)cc2)c(C)c1 C1CN(CCO1)C[*:1] Cc1cc(C)c(-c2ccc(cc2)[C@H](O)[*:1])c(C)c1
Cc1cc(C)c(-c2ccc([C@H](O)CN3CCOCC3)cc2)c(C)c1 C1CN(CCO1)[*:1] Cc1cc(C)c(-c2ccc(cc2)[C@H](O)C[*:1])c(C)c1
C[C@H](N[C@H](C)C(=O)NCc1ccccc1)c1nc2c(s1)CCCC2 c1ccc(cc1)[*:1] C[C@H](N[C@H](C)C(=O)NC[*:1])c1nc2CCCCc2s1
C[C@H](N[C@H](C)C(=O)NCc1ccccc1)c1nc2c(s1)CCCC2 c1ccc(cc1)C[*:1] C[C@H](N[C@H](C)C(=O)N[*:1])c1nc2CCCCc2s1
CC(=O)N1CCCc2cc(S(=O)(=O)N(Cc3ccccc3)c3cccc(C)c3)ccc21 Cc1cccc(c1)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N(Cc1ccccc1)[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)N(Cc3ccccc3)c3cccc(C)c3)ccc21 c1ccc(cc1)C[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N(c1cccc(C)c1)[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)N(Cc3ccccc3)c3cccc(C)c3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N(C[*:1])c1cccc(C)c1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])C(=O)N[C@H](C)c1ccc(F)c(F)c1
CNS(=O)(=O)c1cc(/C=C/C(=O)N2CCCC[C@H]2C)ccc1OC CNS(=O)(=O)[*:1] COc1ccc(/C=C/C(=O)N2CCCC[C@H]2C)cc1[*:1]
Cc1ccsc1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 Cc1ccsc1[*:1] C[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)[*:1]
O=C1CCC(=O)N1CCNc1cc[nH+]c2cc(Cl)ccc12 O=C1CCC(=O)N1[*:1] Clc1ccc2c(cc[nH+]c2c1)NCC[*:1]
CC(C)CN(C(=O)COc1nnc2ccccn12)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)CN(C(=O)COc1nnc2ccccn12)[*:1]
CC(C)CN(C(=O)COc1nnc2ccccn12)[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=C(COc1nnc2ccccn12)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)CN(C(=O)COc1nnc2ccccn12)[C@@H]1CCS(=O)(=O)C1 CC(C)C[*:1] O=C(COc1nnc2ccccn12)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=Cc1ccc(OCc2ncc(-c3cccs3)o2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=Cc1ccc(OCc2ncc(o2)-c2cccs2)c(c1)[*:1]
O=Cc1ccc(OCc2ncc(-c3cccs3)o2)c([N+](=O)[O-])c1 c1csc(c1)[*:1] O=Cc1ccc(OCc2ncc(o2)[*:1])c(c1)[N+](=O)[O-]
CC1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 c1csc(n1)[*:1] CC1CCC(CC1)[NH2+]C1CCN(CC1)[*:1]
Cn1c(=O)cc(SCC(=O)Nc2ccc(Cl)cn2)c2ccccc21 Clc1ccc(nc1)[*:1] Cn1c(=O)cc(SCC(=O)N[*:1])c2ccccc21
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] CN(Cc1cnn(c1)Cc1ccccc1)C(=O)Nc1ccccc1[*:1]
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1ccccc1-n1cccn1 c1ccc(cc1)C[*:1] CN(Cc1cnn(c1)[*:1])C(=O)Nc1ccccc1-n1cccn1
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1ccccc1-n1cccn1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)C[*:1])C(=O)Nc1ccccc1-n1cccn1
CCN(C(=O)[C@@H](C)Sc1nnc(C)s1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@@H](C)Sc1nnc(C)s1)[*:1]
CCN(C(=O)[C@@H](C)Sc1nnc(C)s1)c1ccccc1 Cc1nnc(s1)[*:1] CCN(C(=O)[C@@H](C)S[*:1])c1ccccc1
CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CC)[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CC)[C@]1(C)Oc1ccc(cc12)[*:1]
CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CC)[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 CCOC(=O)[*:1] CCN1C(=S)N[C@H]2c3cc(ccc3O[C@]1(C)[C@@H]2[*:1])[N+](=O)[O-]
CCO[C@@H]1C[C@@H](NC(=O)c2ccnc(C(=O)OC)c2)C12CCCCC2 COC(=O)[*:1] CCO[C@@H]1C[C@@H](NC(=O)c2ccnc(c2)[*:1])C12CCCCC2
CCO[C@@H]1C[C@@H](NC(=O)c2ccnc(C(=O)OC)c2)C12CCCCC2 CCO[*:1] COC(=O)c1cc(ccn1)C(=O)N[C@@H]1C[C@H](C12CCCCC2)[*:1]
COc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1F Cc1n[nH]c(C)c1[*:1] COc1ccc(cc1F)[C@@H](C)NC(=O)N1CCC[C@@H]1[*:1]
CCCc1ccccc1NC(=O)N(C)[C@H](CC)CSC CCC[*:1] CC[C@H](CSC)N(C)C(=O)Nc1ccccc1[*:1]
CCCc1ccccc1NC(=O)N(C)[C@H](CC)CSC CSC[*:1] CCCc1ccccc1NC(=O)N(C)[C@H](CC)[*:1]
CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCCCC2)cc1 CCCCO[*:1] O=C1CS[C@H](c2ccc(cc2)[*:1])c2c(O)nn(c2N1)C1CCCCC1
CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCCCC2)cc1 C1CCC(CC1)[*:1] CCCCOc1ccc(cc1)[C@H]1SCC(=O)Nc2c1c(O)nn2[*:1]
CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCCCC2)cc1 CCCC[*:1] O=C1CS[C@H](c2ccc(cc2)O[*:1])c2c(O)nn(c2N1)C1CCCCC1
CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCCCC2)cc1 CCC[*:1] O=C1CS[C@H](c2ccc(cc2)OC[*:1])c2c(O)nn(c2N1)C1CCCCC1
Cc1ccnc(NC(=O)C[NH+](C)Cc2sccc2C)c1 Cc1ccsc1[*:1] Cc1ccnc(c1)NC(=O)C[NH+](C)C[*:1]
CC(C)Cc1ccc(CC(=O)NCc2ccc([S@](C)=O)cc2)cc1 CC(C)C[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)Cc1ccc(cc1)[*:1]
CC(C)Cc1ccc(CC(=O)NCc2ccc([S@](C)=O)cc2)cc1 CC(C)[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)Cc1ccc(cc1)C[*:1]
CC(=O)c1c[nH]c(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 CC(=O)[*:1] O=C(NCc1cccc(c1)NC(=O)C1CC1)c1cc(c[nH]1)[*:1]
CC(=O)c1c[nH]c(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 CC(=O)c1c[nH]c(c1)[*:1] O=C(Nc1cccc(c1)CNC(=O)[*:1])C1CC1
CC(=O)c1c[nH]c(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 O=C(N[*:1])C1CC1 CC(=O)c1c[nH]c(c1)C(=O)NCc1cccc(c1)[*:1]
CC(=O)c1c[nH]c(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 C1CC1[*:1] CC(=O)c1c[nH]c(c1)C(=O)NCc1cccc(c1)NC(=O)[*:1]
O=C(COc1cccc2ccccc12)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(COc1cccc2ccccc12)N[*:1]
O=C(COc1cccc2ccccc12)NCc1cccnc1 c1cncc(c1)[*:1] O=C(COc1cccc2ccccc12)NC[*:1]
CCSc1nc(CC(=O)N2CCC3(CC2)OCCC[C@@H]3OC)cs1 CCSc1nc(cs1)[*:1] CO[C@H]1CCCOC12CCN(CC2)C(=O)C[*:1]
CCSc1nc(CC(=O)N2CCC3(CC2)OCCC[C@@H]3OC)cs1 CCS[*:1] CO[C@H]1CCCOC12CCN(CC2)C(=O)Cc1csc(n1)[*:1]
CC[NH2+][C@@H](C)c1ccc(O[C@@H](C)C(=O)NC(N)=O)cc1 NC(=O)NC(=O)[*:1] CC[NH2+][C@@H](C)c1ccc(cc1)O[C@@H](C)[*:1]
Cc1cc(NC(=O)[C@H](C)Nc2ccccc2)no1 Cc1cc(no1)[*:1] C[C@H](Nc1ccccc1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@H](C)Nc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)N[*:1]
CC(=O)Nc1cc(C(=O)Cl)nc2ccc(Cl)cc12 CC(=O)N[*:1] O=C(Cl)c1cc(c2cc(Cl)ccc2n1)[*:1]
CC(=O)Nc1cc(C(=O)Cl)nc2ccc(Cl)cc12 O=C(Cl)[*:1] CC(=O)Nc1cc(nc2ccc(Cl)cc12)[*:1]
C[C@@H]1C[C@H]1n1c(CCl)nc2cc(Br)cnc21 C[C@@H]1C[C@@H]1[*:1] ClCc1nc2cc(Br)cnc2n1[*:1]
CCOc1cc(C)ccc1CNC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 CCO[*:1] Cc1ccc(CNC(=O)N[C@@H]2CC[C@H](C2)[NH+](C)C)c(c1)[*:1]
Cc1[nH]c(C)c(S(=O)(=O)Nc2cccc3c2CCCC3)c1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1[nH]c(C)c(c1S(=O)(=O)Nc1cccc2CCCCc21)[*:1]
Cc1cc(F)ccc1-c1ccc(C[NH+](CCS(C)(=O)=O)C(C)C)o1 CC(C)[*:1] Cc1cc(F)ccc1-c1ccc(C[NH+](CCS(C)(=O)=O)[*:1])o1
Cc1cc(F)ccc1-c1ccc(C[NH+](CCS(C)(=O)=O)C(C)C)o1 CS(=O)(=O)C[*:1] Cc1cc(F)ccc1-c1ccc(C[NH+](C[*:1])C(C)C)o1
Cc1cc(F)ccc1-c1ccc(C[NH+](CCS(C)(=O)=O)C(C)C)o1 CS(=O)(=O)CC[*:1] Cc1cc(F)ccc1-c1ccc(C[NH+](C(C)C)[*:1])o1
Cc1cc(F)ccc1-c1ccc(C[NH+](CCS(C)(=O)=O)C(C)C)o1 CS(=O)(=O)[*:1] Cc1cc(F)ccc1-c1ccc(C[NH+](CC[*:1])C(C)C)o1
Cc1cc(F)ccc1-c1ccc(C[NH+](CCS(C)(=O)=O)C(C)C)o1 Cc1cc(F)ccc1[*:1] CC(C)[NH+](CCS(C)(=O)=O)Cc1ccc(o1)[*:1]
Cc1ccc(C(C)(C)C(=O)N(C)C[C@@H](O)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)C(C)(C)C(=O)N(C)C[C@@H](O)[*:1]
COC(=O)c1cccc(NC(=O)CCn2c(=O)cc(C)c3cccc(C)c32)c1 COC(=O)[*:1] Cc1cc(=O)n(CCC(=O)Nc2cccc(c2)[*:1])c2c(C)cccc12
C[C@H](NC(=O)NNC(=O)c1ccccc1O)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)NNC(=O)c1ccccc1O)[*:1]
C[C@H](NC(=O)NNC(=O)c1ccccc1O)c1cccc(C#N)c1 Oc1ccccc1[*:1] C[C@H](NC(=O)NNC(=O)[*:1])c1cccc(C#N)c1
COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])sc2c1CCN(Cc1ccccc1)C2 COC(=O)[*:1] O=C([O-])[C@H]1C[C@H]1C(=O)Nc1sc2CN(CCc2c1[*:1])Cc1ccccc1
COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])sc2CN(CCc21)[*:1]
COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])sc2CN(CCc21)C[*:1]
CCc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 c1ccc(cc1)OC[*:1] CCc1ccc(cc1)C(=O)NNC(=O)c1ccc(o1)[*:1]
CCc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 CCc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1ccc(COc2ccccc2)o1
CCc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)C(=O)NNC(=O)c1ccc(CO[*:1])o1
CCc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 c1ccc(cc1)O[*:1] CCc1ccc(cc1)C(=O)NNC(=O)c1ccc(C[*:1])o1
CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H](NC(C)=O)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 CNC(=O)[C@@H](C)[*:1] CC(=O)N[C@H](CC(=O)N(C)C[*:1])c1ccc(Cl)cc1
CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 CNC(=O)[*:1] CC(=O)N[C@H](CC(=O)N(C)C[C@H](C)[*:1])c1ccc(Cl)cc1
CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 CC(=O)N[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H](c1ccc(Cl)cc1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 CNC(=O)[C@@H](C)C[*:1] CC(=O)N[C@H](CC(=O)N(C)[*:1])c1ccc(Cl)cc1
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(N[C@@H]1CCN(C1)c1cccc(Cl)c1)N1CCOC[C@H]1[*:1]
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCOC[C@@H]1C1CC1 Clc1cccc(c1)[*:1] O=C(N[C@@H]1CCN(C1)[*:1])N1CCOC[C@@H]1C1CC1
NNc1c(F)c(F)c(C(F)(F)F)c(F)c1F FC(F)(F)[*:1] NNc1c(F)c(F)c(c(F)c1F)[*:1]
Cc1ccc([C@@H](CNC(=O)NCc2ccccn2)N2CCOCC2)o1 c1ccc(nc1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)NC[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)NCc2ccccn2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)NCc1ccccn1)[*:1]
Cc1ccc([C@@H](CNC(=O)NCc2ccccn2)N2CCOCC2)o1 Cc1ccc(o1)[*:1] O=C(NCc1ccccn1)NC[C@@H](N1CCOCC1)[*:1]
Cc1ccc([C@@H](CNC(=O)NCc2ccccn2)N2CCOCC2)o1 c1ccc(C[*:1])nc1 Cc1ccc(o1)[C@@H](CNC(=O)N[*:1])N1CCOCC1
CC[C@H](NC(=O)CCc1cc(F)ccc1F)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)CCc1cc(F)ccc1F)[*:1]
CCOc1ccc(-n2nnc(-c3nsc(Nc4ccccc4OC)n3)c2C)cc1 COc1ccccc1N[*:1] CCOc1ccc(cc1)-n1nnc(-c2nsc(n2)[*:1])c1C
CCOc1ccc(-n2nnc(-c3nsc(Nc4ccccc4OC)n3)c2C)cc1 COc1ccccc1[*:1] CCOc1ccc(cc1)-n1nnc(-c2nsc(n2)N[*:1])c1C
CCOc1ccc(-n2nnc(-c3nsc(Nc4ccccc4OC)n3)c2C)cc1 CCOc1ccc(cc1)[*:1] COc1ccccc1Nc1nc(ns1)-c1nnn(c1C)[*:1]
CCOc1ccc(-n2nnc(-c3nsc(Nc4ccccc4OC)n3)c2C)cc1 CCO[*:1] COc1ccccc1Nc1nc(ns1)-c1nnn(-c2ccc(cc2)[*:1])c1C
OC[C@@H](O)CS[C@H]1CCO[C@]2(CCOC2)C1 OC[C@@H](O)[*:1] C1C[C@]2(CO1)C[C@H](CCO2)SC[*:1]
OC[C@@H](O)CS[C@H]1CCO[C@]2(CCOC2)C1 OC[C@@H](O)C[*:1] C1C[C@]2(CO1)C[C@H](CCO2)S[*:1]
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1ncc[nH]1 c1c[nH]c(n1)[*:1] O=C(CSc1ccc(cc1)[N+](=O)[O-])Nc1ccccc1[*:1]
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1ncc[nH]1 O=[N+]([O-])[*:1] O=C(CSc1ccc(cc1)[*:1])Nc1ccccc1-c1ncc[nH]1
c1nn(C[C@H]2CCCO2)cc1NCc1c[nH+]cn1C1CC1 C1CO[C@H](C1)C[*:1] c1nn(cc1NCc1c[nH+]cn1C1CC1)[*:1]
c1nn(C[C@H]2CCCO2)cc1NCc1c[nH+]cn1C1CC1 C1CC1[*:1] c1nn(cc1NCc1c[nH+]cn1[*:1])C[C@H]1CCCO1
c1nn(C[C@H]2CCCO2)cc1NCc1c[nH+]cn1C1CC1 C1CO[C@H](C1)[*:1] c1nn(cc1NCc1c[nH+]cn1C1CC1)C[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(CN(c2ccc(F)cc2)S(C)(=O)=O)n1C Fc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(CN(S(C)(=O)=O)[*:1])n1C
CCN1C(=O)/C(=C\c2cn(C)nc2C)N=C1SCC(=O)Nc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] CCN1C(=O)/C(=C\c2cn(C)nc2C)N=C1SCC(=O)N[*:1]
CCN1C(=O)/C(=C\c2cn(C)nc2C)N=C1SCC(=O)Nc1cccc2ccccc12 Cc1nn(C)cc1[*:1] CCN1C(=O)C(=C[*:1])N=C1SCC(=O)Nc1cccc2ccccc12
Cc1cnc(CCNC(=O)N2c3ccccc3C[C@@H]2C)s1 Cc1cnc(C[*:1])s1 C[C@H]1Cc2ccccc2N1C(=O)NC[*:1]
Cc1cnc(CCNC(=O)N2c3ccccc3C[C@@H]2C)s1 Cc1cnc(s1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)NCC[*:1]
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 CC(C)(C)[*:1] Cc1nc([nH]c(=O)c1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1)[*:1]
CCN(Cc1ccncc1)C(=O)c1csc2c1CCCC2 c1cc(ccn1)C[*:1] CCN(C(=O)c1csc2CCCCc12)[*:1]
CCN(Cc1ccncc1)C(=O)c1csc2c1CCCC2 c1cc(ccn1)[*:1] CCN(C[*:1])C(=O)c1csc2CCCCc12
Cc1cccc(OCCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 FC(F)(F)O[*:1] Cc1cccc(c1)OCCC(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(OCCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 Cc1cccc(c1)[*:1] O=C(CCO[*:1])Nc1ccc(cc1)OC(F)(F)F
Cc1cccc(OCCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 Cc1cccc(c1)O[*:1] O=C(CC[*:1])Nc1ccc(cc1)OC(F)(F)F
Cc1cccc(OCCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 FC(F)(F)[*:1] Cc1cccc(c1)OCCC(=O)Nc1ccc(cc1)O[*:1]
CC(C)(O)CC[C@@]1(C(=O)[O-])CCc2ccccc21 O=C([O-])[*:1] CC(C)(O)CC[C@]1(CCc2ccccc21)[*:1]
CC(C)(O)CC[C@@]1(C(=O)[O-])CCc2ccccc21 CC(C)(O)C[*:1] O=C([O-])[C@@]1(CCc2ccccc21)C[*:1]
CC(C)(O)CC[C@@]1(C(=O)[O-])CCc2ccccc21 CC(C)(O)[*:1] O=C([O-])[C@@]1(CCc2ccccc21)CC[*:1]
CC(C)(O)CC[C@@]1(C(=O)[O-])CCc2ccccc21 CC(C)(O)CC[*:1] O=C([O-])[C@]1(CCc2ccccc21)[*:1]
COc1c(Cl)cc(C[NH2+]C[C@H]2CCCO2)cc1Cl C1CO[C@H](C1)[*:1] COc1c(Cl)cc(cc1Cl)C[NH2+]C[*:1]
C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] C[C@H]1CCCCN1C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] C[C@H]1CCCCN1C(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cc1ccc2ccccc2c1 Brc1cccc(c1)O[*:1] C[C@@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)[*:1]
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cc1ccc2ccccc2c1 Brc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)Cc1ccc2ccccc2c1
CC(C)c1noc(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)n1 Fc1ccc(cc1)[*:1] CC(C)c1noc(CN2C(=O)[C@H](C)N(C2=O)[*:1])n1
CC(C)c1noc(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)n1 CC(C)c1noc(n1)[*:1] C[C@H]1C(=O)N(C[*:1])C(=O)N1c1ccc(F)cc1
CC(C)c1noc(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)n1 CC(C)[*:1] C[C@H]1C(=O)N(Cc2nc(no2)[*:1])C(=O)N1c1ccc(F)cc1
Cc1nccn1-c1cncc(NCC2(C)Cc3ccccc3C2)n1 Cc1nccn1[*:1] CC1(CNc2cncc(n2)[*:1])Cc2ccccc2C1
O=C([O-])[C@H]1CC(=O)N(Cc2ccc(-n3cncn3)cc2)C1 c1ncn(n1)[*:1] O=C([O-])[C@H]1CC(=O)N(Cc2ccc(cc2)[*:1])C1
O=C([O-])[C@H]1CC(=O)N(Cc2ccc(-n3cncn3)cc2)C1 O=C([O-])[*:1] O=C1C[C@@H](CN1Cc1ccc(cc1)-n1cncn1)[*:1]
O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1c2ccccc2C[C@H]1O O=[N+]([O-])[*:1] O=C(Cn1ccc(n1)[*:1])N[C@H]1c2ccccc2C[C@H]1O
CCN(CC1CC[NH2+]CC1)C(=O)c1ccc(C)o1 Cc1ccc(o1)[*:1] CCN(CC1CC[NH2+]CC1)C(=O)[*:1]
Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)sc1[C@@H](C)O C[C@@H](O)[*:1] Cc1nc(sc1[*:1])[C@@H]1CN2CCC[C@@H]2CO1
CC[C@H](NC(=O)CSc1cccc(OC)c1)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@H](NC(=O)CSc1cccc(c1)OC)[*:1]
O=C(c1cnc(-c2cccnc2)[nH]c1=O)N1CCC[C@H](c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cnc([nH]c1=O)-c1cccnc1)N1CCC[C@H](CC1)[*:1]
O=C(c1cnc(-c2cccnc2)[nH]c1=O)N1CCC[C@H](c2ccccc2)CC1 c1cncc(c1)[*:1] O=C(c1cnc([nH]c1=O)[*:1])N1CCC[C@@H](CC1)c1ccccc1
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1 C1CC[C@@H](CO[*:1])OC1 Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)[C@@H](C)[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1 Cc1cnn(c1)C[*:1] C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCCC[C@H]1[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1 Cc1cnn(c1)[*:1] C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCCC[C@H]1C[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1 C1CC[C@H](OC1)[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)[C@@H](C)OC[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1 C1CC[C@@H](C[*:1])OC1 Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)[C@@H](C)O[*:1]
O=C(NCC(=O)N1CCCCC1)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] O=C(NCC(=O)N1CCCCC1)c1ccc(cc1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(Cl)n1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)Nc1cccc(Cl)n1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(Cl)n1 Clc1cccc(n1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[*:1]
CC[C@@H](C)C[NH2+][C@H]1CCN(C2CCCCC2)C1=O CC[C@@H](C)[*:1] O=C1[C@H](CCN1C1CCCCC1)[NH2+]C[*:1]
CC[C@@H](C)C[NH2+][C@H]1CCN(C2CCCCC2)C1=O C1CCC(CC1)[*:1] CC[C@@H](C)C[NH2+][C@H]1CCN(C1=O)[*:1]
CC(C)[C@H](C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)[NH+]1CCCCC1 CC(C)[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@H]([NH+]1CCCCC1)[*:1]
CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)ccc12 Clc1cccc(c1)C[*:1] CC(C)Nc1n[nH]c2nc(ccc12)[C@H]1CCCN1C(=O)C[*:1]
CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)ccc12 Clc1cccc(c1)[*:1] CC(C)Nc1n[nH]c2nc(ccc12)[C@H]1CCCN1C(=O)CC[*:1]
CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)ccc12 Clc1cccc(c1)CC[*:1] CC(C)Nc1n[nH]c2nc(ccc12)[C@H]1CCCN1C(=O)[*:1]
CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)ccc12 CC(C)[*:1] O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1ccc2c(n[nH]c2n1)N[*:1]
CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)ccc12 CC(C)N[*:1] O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1ccc2c(n[nH]c2n1)[*:1]
Cc1nc(C)c(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)o1 Cc1nc(C)c(o1)[*:1] CN(C(=O)[*:1])[C@H]1CCN(C1=O)c1ccccc1F
Cc1nc(C)c(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)o1 Fc1ccccc1[*:1] Cc1nc(C)c(o1)C(=O)N(C)[C@H]1CCN(C1=O)[*:1]
Cc1cccc(Nc2ncnc(NC(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])n1 Cc1cccc(n1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NC(c1ccccc1)c1ccccc1
Cc1cccc(Nc2ncnc(NC(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])n1 c1ccc(cc1)[*:1] Cc1cccc(n1)Nc1ncnc(NC(c2ccccc2)[*:1])c1[N+](=O)[O-]
Cc1cccc(Nc2ncnc(NC(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1cccc(n1)Nc1ncnc(NC(c2ccccc2)c2ccccc2)c1[*:1]
Cc1cccc(Nc2ncnc(NC(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])n1 Cc1cccc(n1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NC(c1ccccc1)c1ccccc1
COCCOc1ccccc1C=O COCC[*:1] O=Cc1ccccc1O[*:1]
COCCOc1ccccc1C=O COC[*:1] O=Cc1ccccc1OC[*:1]
CCOc1ccc(CC(=O)N2CC[C@@H](C)C[C@@H]2C)cc1 CCO[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Cc1ccc(cc1)[*:1]
Cc1nonc1[C@H]1CCCN1C(=O)c1ccc2nc(C3CCCCC3)oc2c1 C1CCC(CC1)[*:1] Cc1nonc1[C@H]1CCCN1C(=O)c1ccc2nc(oc2c1)[*:1]
Cc1nonc1[C@H]1CCCN1C(=O)c1ccc2nc(C3CCCCC3)oc2c1 Cc1nonc1[*:1] O=C(c1ccc2nc(oc2c1)C1CCCCC1)N1CCC[C@@H]1[*:1]
Cc1nc(CN2CCN(C(=O)NCCNC(=O)C3CC3)CC2)cs1 O=C(N[*:1])C1CC1 Cc1nc(cs1)CN1CCN(CC1)C(=O)NCC[*:1]
Cc1nc(CN2CCN(C(=O)NCCNC(=O)C3CC3)CC2)cs1 O=C(NCC[*:1])C1CC1 Cc1nc(cs1)CN1CCN(CC1)C(=O)N[*:1]
Cc1nc(CN2CCN(C(=O)NCCNC(=O)C3CC3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(NCCNC(=O)N1CCN(CC1)C[*:1])C1CC1
Cc1nc(CN2CCN(C(=O)NCCNC(=O)C3CC3)CC2)cs1 C1CC1[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)NCCNC(=O)[*:1]
Cc1nc(CN2CCN(C(=O)NCCNC(=O)C3CC3)CC2)cs1 O=C(NC[*:1])C1CC1 Cc1nc(cs1)CN1CCN(CC1)C(=O)NC[*:1]
Cc1nc(CN2CCN(C(=O)NCCNC(=O)C3CC3)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(NCCNC(=O)N1CCN(CC1)[*:1])C1CC1
CC[C@@H](CSC)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1C CSC[*:1] CC[C@@H](N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1C)[*:1]
C[C@H]1CCC[C@@H](N2CCO[C@H](c3nccs3)C2)C1 c1csc(n1)[*:1] C[C@H]1CCC[C@H](C1)N1CCO[C@H](C1)[*:1]
COc1cc(F)c([N+](=O)[O-])c(SCCN2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cc(F)c(c(c1)SCC[*:1])[N+](=O)[O-]
COc1cc(F)c([N+](=O)[O-])c(SCCN2CCOCC2)c1 O=[N+]([O-])[*:1] COc1cc(F)c(c(c1)SCCN1CCOCC1)[*:1]
COc1cc(F)c([N+](=O)[O-])c(SCCN2CCOCC2)c1 C1CN(CCO1)C[*:1] COc1cc(F)c(c(c1)SC[*:1])[N+](=O)[O-]
C[C@H](O)Cn1c(C2CCCCC2)nc2cc(C(=O)[O-])ccc21 C[C@H](O)C[*:1] O=C([O-])c1ccc2c(c1)nc(C1CCCCC1)n2[*:1]
C[C@H](O)Cn1c(C2CCCCC2)nc2cc(C(=O)[O-])ccc21 C1CCC(CC1)[*:1] C[C@H](O)Cn1c(nc2cc(ccc21)C(=O)[O-])[*:1]
C[C@H](O)Cn1c(C2CCCCC2)nc2cc(C(=O)[O-])ccc21 C[C@H](O)[*:1] O=C([O-])c1ccc2c(c1)nc(C1CCCCC1)n2C[*:1]
C[C@H](O)Cn1c(C2CCCCC2)nc2cc(C(=O)[O-])ccc21 O=C([O-])[*:1] C[C@H](O)Cn1c(nc2cc(ccc21)[*:1])C1CCCCC1
N#Cc1ccc(CNCc2ncc(-c3ccccc3)s2)c(F)c1 c1ccc(cc1)[*:1] N#Cc1ccc(CNCc2ncc(s2)[*:1])c(F)c1
COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccc(C#N)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C#N)ccc1C(=O)N[C@H](C)[C@H](O)[*:1]
O=C(N[C@H]1CCS(=O)(=O)C1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O O=S1(=O)CC[C@@H](C1)[*:1] O=C(N[*:1])N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
c1cc2c(cc1Cc1nn3c(CN4CCOCC4)nnc3s1)CCCC2 C1CN(CCO1)C[*:1] c1cc2CCCCc2cc1Cc1nn2c(nnc2s1)[*:1]
c1cc2c(cc1Cc1nn3c(CN4CCOCC4)nnc3s1)CCCC2 C1CN(CCO1)[*:1] c1cc2CCCCc2cc1Cc1nn2c(C[*:1])nnc2s1
COc1ccc2[nH]cc([C@H](C)[NH2+][C@H](c3cccc(C)c3)c3ccccn3)c2c1 Cc1cccc(c1)[*:1] COc1ccc2[nH]cc(c2c1)[C@H](C)[NH2+][C@H](c1ccccn1)[*:1]
COc1ccc2[nH]cc([C@H](C)[NH2+][C@H](c3cccc(C)c3)c3ccccn3)c2c1 c1ccc(nc1)[*:1] COc1ccc2[nH]cc(c2c1)[C@H](C)[NH2+][C@H](c1cccc(C)c1)[*:1]
Cc1cc([C@]2(C)NC(=O)N(Cc3c(C#N)c(C)nn3-c3ccccc3)C2=O)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(c(C)o1)[C@]1(C)NC(=O)N(Cc2c(C#N)c(C)nn2[*:1])C1=O
Cc1cc([C@]2(C)NC(=O)N(Cc3c(C#N)c(C)nn3-c3ccccc3)C2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@@](C)(C2=O)[*:1])c1C#N
CC(=O)c1c[nH]c(C(=O)N2CCCSCC2)c1 CC(=O)[*:1] O=C(c1cc(c[nH]1)[*:1])N1CCCSCC1
CC[C@@H](C)C(=O)C(CC)(CC)[NH+](C)C CC[C@@H](C)[*:1] CCC(CC)(C(=O)[*:1])[NH+](C)C
CCC(CC)S(=O)(=O)/N=C(\[O-])c1c(C)nn(-c2ccc(F)cc2)c1C CCC(CC)[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1/C([O-])=N/S(=O)(=O)[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])c1c(C)nn(-c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] CCC(CC)S(=O)(=O)/N=C(\[O-])c1c(C)nn(c1C)[*:1]
CC(=O)N(C)c1ccc(NC(=O)N2CCC[NH+](CC(C)C)CC2)cc1 CC(C)[*:1] CC(=O)N(C)c1ccc(cc1)NC(=O)N1CCC[NH+](CC1)C[*:1]
CC(=O)N(C)c1ccc(NC(=O)N2CCC[NH+](CC(C)C)CC2)cc1 CC(C)C[*:1] CC(=O)N(C)c1ccc(cc1)NC(=O)N1CCC[NH+](CC1)[*:1]
CC(=O)N(C)c1ccc(NC(=O)N2CCC[NH+](CC(C)C)CC2)cc1 CC(=O)N(C)[*:1] CC(C)C[NH+]1CCCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
O=[N+]([O-])c1cccc(CNC[C@H]2COc3ccccc32)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])CNC[C@H]1COc2ccccc21
O=C(NCc1cccc(NC(=O)C2CCC2)c1)Nc1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] O=C(NCc1cccc(c1)NC(=O)C1CCC1)N[*:1]
O=C(NCc1cccc(NC(=O)C2CCC2)c1)Nc1ccc(Cl)cc1F C1CC(C1)[*:1] O=C(NCc1cccc(c1)NC(=O)[*:1])Nc1ccc(Cl)cc1F
O=C(NCc1cccc(NC(=O)C2CCC2)c1)Nc1ccc(Cl)cc1F O=C(N[*:1])C1CCC1 O=C(NCc1cccc(c1)[*:1])Nc1ccc(Cl)cc1F
CO[C@@H](C)c1nc(C)c(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)s1 CO[C@@H](C)[*:1] Cc1nc(sc1C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
Cc1ccc(C(=O)N2CCN(Cn3nc(C)n(C4CC4)c3=S)CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)Cn1nc(C)n(c1=S)[*:1]
Cc1ccc(C(=O)N2CCN(Cn3nc(C)n(C4CC4)c3=S)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(CN2CCN(CC2)C(=O)[*:1])c(=S)n1C1CC1
CCC([NH3+])(CC)C(=O)Nc1cc(NC(C)=O)ccc1OC CC(=O)N[*:1] CCC([NH3+])(CC)C(=O)Nc1cc(ccc1OC)[*:1]
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(NC3CCCCC3)cc21 C1CCC(CC1)[*:1] CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(cc21)N[*:1]
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(NC3CCCCC3)cc21 O=C([O-])[*:1] CCn1cc(c(=O)c2cc(F)c(cc21)NC1CCCCC1)[*:1]
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(NC3CCCCC3)cc21 C1CCC(CC1)N[*:1] CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(cc21)[*:1]
Cc1noc([C@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)C(C)C)n1 Cc1noc(n1)[*:1] CC(C)[C@@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
Cc1noc([C@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)C(C)C)n1 CC(C)[*:1] Cc1noc(n1)[C@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
CC(=O)Oc1ccc2c(=O)c(-c3csc(C)n3)coc2c1OC(C)=O CC(=O)O[*:1] CC(=O)Oc1c(ccc2c(=O)c(coc12)-c1csc(C)n1)[*:1]
CC(=O)Oc1ccc2c(=O)c(-c3csc(C)n3)coc2c1OC(C)=O CC(=O)O[*:1] CC(=O)Oc1ccc2c(=O)c(coc2c1[*:1])-c1csc(C)n1
CC(=O)Oc1ccc2c(=O)c(-c3csc(C)n3)coc2c1OC(C)=O Cc1nc(cs1)[*:1] CC(=O)Oc1ccc2c(=O)c(coc2c1OC(C)=O)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1Cl CC[C@@H](C)[*:1] C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[*:1]
CC(C)(CCO)CNC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CC(C)(CCO)[*:1] O=C(NC[*:1])N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
CC(C)(CCO)CNC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CC(C)(CCO)C[*:1] O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N[*:1]
CC(C)(CCO)CNC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 OCC[*:1] CC(C)(CNC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[*:1]
CC(C)(CCO)CNC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CC(C)(CCO)CNC(=O)N[C@H]1CCO[C@@H]1[*:1]
CCC[C@@H](CNC(=O)NCc1c(C)nn(C)c1C)C(=O)[O-] CCC[*:1] Cc1nn(C)c(C)c1CNC(=O)NC[C@@H](C(=O)[O-])[*:1]
CCC[C@@H](CNC(=O)NCc1c(C)nn(C)c1C)C(=O)[O-] O=C([O-])[*:1] CCC[C@@H](CNC(=O)NCc1c(C)nn(C)c1C)[*:1]
COC1CCC(CC(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)CC1 COC1CCC(CC1)[*:1] O=C(C[*:1])Nc1cnn(c1)CC[NH+]1CCCCC1
C[C@H](O)[C@H](C)SCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] C[C@H](O)[*:1] C[C@H](SCC(=O)Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
C[C@H](O)[C@H](C)SCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] C[C@H](O)[C@H](C)SCC(=O)Nc1ccc(cc1[N+](=O)[O-])[*:1]
C[C@H](O)[C@H](C)SCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](O)[C@H](C)SCC(=O)Nc1ccc(cc1[*:1])C(F)(F)F
CN(C(=O)c1cccc(C(F)(F)F)c1F)c1cccc2ncccc12 FC(F)(F)[*:1] CN(C(=O)c1cccc(c1F)[*:1])c1cccc2ncccc12
COc1ccc(C(=O)NCCn2nc(-n3cccn3)ccc2=O)cc1OC c1cnn(c1)[*:1] COc1ccc(cc1OC)C(=O)NCCn1nc(ccc1=O)[*:1]
COc1cc(NC(=O)c2ccc(C)cc2C)c(C(=O)N(C)C)cc1OC Cc1ccc(c(C)c1)[*:1] COc1cc(NC(=O)[*:1])c(cc1OC)C(=O)N(C)C
COc1cc(NC(=O)c2ccc(C)cc2C)c(C(=O)N(C)C)cc1OC CN(C)C(=O)[*:1] COc1cc(NC(=O)c2ccc(C)cc2C)c(cc1OC)[*:1]
CN(C)C(=O)CCNC(=O)N(C)Cc1ccc(OC(F)F)cc1 CN(C)C(=O)C[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)NC[*:1]
CN(C)C(=O)CCNC(=O)N(C)Cc1ccc(OC(F)F)cc1 FC(F)O[*:1] CN(C)C(=O)CCNC(=O)N(C)Cc1ccc(cc1)[*:1]
CN(C)C(=O)CCNC(=O)N(C)Cc1ccc(OC(F)F)cc1 CN(C)C(=O)CC[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)N[*:1]
CN(C)C(=O)CCNC(=O)N(C)Cc1ccc(OC(F)F)cc1 CN(C)C(=O)[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)NCC[*:1]
CN(C)C(=O)CCNC(=O)N(C)Cc1ccc(OC(F)F)cc1 FC(F)[*:1] CN(C)C(=O)CCNC(=O)N(C)Cc1ccc(cc1)O[*:1]
CCn1/c(=N/C(=O)c2ccno2)sc2cc3c(cc21)OCCO3 c1cc(on1)[*:1] CCn1/c(=N/C(=O)[*:1])sc2cc3OCCOc3cc21
C[C@@H]1CN(C(=O)c2ccc(C(N)=S)cc2)C[C@H]1C NC(=S)[*:1] C[C@@H]1CN(C[C@H]1C)C(=O)c1ccc(cc1)[*:1]
O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1)C1CC1 O=C(N[*:1])C1CC1 Oc1ccc(Cl)cc1/C=N/c1ccc(cc1)[*:1]
O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1)C1CC1 C1CC1[*:1] O=C(Nc1ccc(cc1)/N=C/c1cc(Cl)ccc1O)[*:1]
CCOC(=O)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 C1CCC(C1)[*:1] CCOC(=O)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1[*:1]
CCOC(=O)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 CCOC(=O)NC(=O)C[*:1] Cc1sc2nc(S[*:1])n(c(=O)c2c1C)C1CCCC1
CCOC(=O)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 CCOC(=O)NC(=O)[*:1] Cc1sc2nc(SC[*:1])n(c(=O)c2c1C)C1CCCC1
O=C(CCSc1ncccn1)Nc1ccccc1Cl c1cnc(nc1)[*:1] O=C(CCS[*:1])Nc1ccccc1Cl
O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N[*:1]
COC(=O)c1ccc(CNCC(C)(C)S(C)(=O)=O)nc1 CS(=O)(=O)[*:1] COC(=O)c1ccc(CNCC(C)(C)[*:1])nc1
COC(=O)c1ccc(CNCC(C)(C)S(C)(=O)=O)nc1 COC(=O)[*:1] CC(C)(CNCc1ccc(cn1)[*:1])S(C)(=O)=O
CN(C)C(=O)c1ccc(CNC(=O)NCCc2cc(Cl)cc(Cl)c2)cc1 CN(C)C(=O)[*:1] O=C(NCCc1cc(Cl)cc(Cl)c1)NCc1ccc(cc1)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)NCCc2cc(Cl)cc(Cl)c2)cc1 Clc1cc(Cl)cc(c1)[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)NCC[*:1]
Cc1cc(OC(C)(C)C)ccc1N CC(C)(C)[*:1] Cc1cc(ccc1N)O[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(-n3nnnc3C)c2)C1 CCC[C@@H](C)NC(=O)[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)N1CCC[C@H](C1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(-n3nnnc3C)c2)C1 Cc1nnnn1[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)Nc1cccc(c1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(-n3nnnc3C)c2)C1 CCC[C@@H](C)[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(-n3nnnc3C)c2)C1 CCC[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
O=C(CC1(O)CCCCC1)N[C@@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] O=C(CC1(O)CCCCC1)N[C@@H]1CCC[C@H](C1)[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 c1ccc(cc1)[*:1] COCCn1cc[nH+]c1C1CCN(CC1)C(=O)c1cc(on1)[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 COC[*:1] O=C(c1cc(on1)-c1ccccc1)N1CCC(CC1)c1[nH+]ccn1C[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 COCC[*:1] O=C(c1cc(on1)-c1ccccc1)N1CCC(CC1)c1[nH+]ccn1[*:1]
CCn1cc[nH+]c1CNc1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCn1cc[nH+]c1CNc1ccc(Br)c(c1)[*:1]
COc1ccc(CCNc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1OC Cc1ccc(Cl)cc1[*:1] COc1ccc(cc1OC)CCNc1ncnc2c1cnn2[*:1]
COc1ccc(CCNc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(Cl)cc1-n1ncc2c(ncnc21)NCC[*:1]
CCc1nc(C)c([C@H](C)N(C)C(=O)C[C@@H](O)c2ccc(Cl)cc2)s1 CCc1nc(C)c(s1)[*:1] C[C@H](N(C)C(=O)C[C@@H](O)c1ccc(Cl)cc1)[*:1]
CCc1nc(C)c([C@H](C)N(C)C(=O)C[C@@H](O)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCc1nc(C)c(s1)[C@H](C)N(C)C(=O)C[C@@H](O)[*:1]
O=C(COc1ccc(N2CCCC2=O)cc1)NN1Cc2ccccc2C1 O=C1CCCN1[*:1] O=C(COc1ccc(cc1)[*:1])NN1Cc2ccccc2C1
Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)[nH]n1 CC(C)[*:1] Cc1nn(c(C)c1S(=O)(=O)[N-]c1cc([nH]n1)C(F)(F)F)[*:1]
Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)[nH]n1 FC(F)(F)[*:1] Cc1nn(c(C)c1S(=O)(=O)[N-]c1cc([nH]n1)[*:1])C(C)C
CCCCNC(=O)CCCN1C(=O)CN(C)C1=O CCC[*:1] CN1CC(=O)N(CCCC(=O)NC[*:1])C1=O
CCCCNC(=O)CCCN1C(=O)CN(C)C1=O CCCC[*:1] CN1CC(=O)N(CCCC(=O)N[*:1])C1=O
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)no1 Cc1cc(no1)[*:1] O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)no1 O=C([O-])[*:1] Cc1cc(no1)NS(=O)(=O)c1ccc(cc1)NC(=O)[C@@H]1CCCC[C@H]1[*:1]
Cc1ccccc1[C@@H](c1ccccc1)S(=O)(=O)[C@H](C)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](C)S(=O)(=O)[C@H](c1ccccc1)[*:1]
Cc1ccccc1[C@@H](c1ccccc1)S(=O)(=O)[C@H](C)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H](c1ccccc1)S(=O)(=O)[C@H](C)[*:1]
Cc1ccccc1[C@@H](c1ccccc1)S(=O)(=O)[C@H](C)C(C)C c1ccc(cc1)[*:1] Cc1ccccc1[C@@H](S(=O)(=O)[C@H](C)C(C)C)[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)CO[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc(cc1)[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc(cc1)OC[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc(cc1)O[*:1]
O=C(Nc1cc(-c2ccncc2)n[nH]1)[C@@H]1CO[C@@H]2C=CC=C[C@@H]2O1 c1cc(ccn1)[*:1] O=C(Nc1cc(n[nH]1)[*:1])[C@@H]1CO[C@@H]2C=CC=C[C@@H]2O1
Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)no1 C1CCC(CC1)[*:1] Cc1cc(no1)C(=O)Nc1nnc(s1)[*:1]
Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)no1 Cc1cc(no1)[*:1] O=C(Nc1nnc(s1)C1CCCCC1)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C1CCOCC1 C1CC(CCO1)[*:1] Cc1cc(C)c(c(C)c1C(=O)N[C@H](C)[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C1CCOCC1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)N[C@H](C)C1CCOCC1)[*:1]
O=C1SCCN1CN(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F FC(F)(F)[*:1] O=C1SCCN1CN(Cc1ccccc1[N+](=O)[O-])C[*:1]
O=C1SCCN1CN(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F O=[N+]([O-])[*:1] O=C1SCCN1CN(Cc1ccccc1[*:1])CC(F)(F)F
O=C1SCCN1CN(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F FC(F)(F)C[*:1] O=C1SCCN1CN(Cc1ccccc1[N+](=O)[O-])[*:1]
O=C1SCCN1CN(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F O=C1SCCN1[*:1] O=[N+]([O-])c1ccccc1CN(CC(F)(F)F)C[*:1]
O=C1SCCN1CN(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F O=C1SCCN1C[*:1] O=[N+]([O-])c1ccccc1CN(CC(F)(F)F)[*:1]
O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@H]1C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@H]1C[C@@H]1[*:1]
CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 C1CO[C@H](C1)[*:1] CC(C)c1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)NC[*:1])C1=O
CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 CC(C)[*:1] C[C@@]1(NC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O)c1ccc(cc1)[*:1]
CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 O=C(NC[C@H]1CCCO1)[*:1] CC(C)c1ccc(cc1)[C@@]1(C)NC(=O)N(C[*:1])C1=O
CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 CC(C)c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O)[*:1]
CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 C1CO[C@H](C1)C[*:1] CC(C)c1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
CCOC(=O)c1c(C)oc2nc(C)nc(N[C@H]3CCCc4ccccc43)c12 CCOC(=O)[*:1] Cc1nc(N[C@H]2CCCc3ccccc32)c2c(c(C)oc2n1)[*:1]
CC(C)(CSc1csc(C(=O)[O-])c1)C(=O)[O-] O=C([O-])[*:1] CC(C)(CSc1csc(c1)C(=O)[O-])[*:1]
CC(C)(CSc1csc(C(=O)[O-])c1)C(=O)[O-] O=C([O-])[*:1] CC(C)(CSc1csc(c1)[*:1])C(=O)[O-]
FC(F)(F)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)Nc2ccnn21 FC(F)(F)[*:1] Clc1ccc(cc1Cl)[C@@H]1C[C@@H](n2nccc2N1)[*:1]
CCN(C(=O)c1sc(C)cc1OC(F)F)c1ccccc1 FC(F)O[*:1] CCN(C(=O)c1sc(C)cc1[*:1])c1ccccc1
CCN(C(=O)c1sc(C)cc1OC(F)F)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1sc(C)cc1OC(F)F)[*:1]
CCN(C(=O)c1sc(C)cc1OC(F)F)c1ccccc1 FC(F)[*:1] CCN(C(=O)c1sc(C)cc1O[*:1])c1ccccc1
COc1ccc(NC(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)N[*:1]
CCOc1ccc(-n2c(C)nc3nc([NH+]4CCCC4)nc([O-])c3c2=S)cc1 CCO[*:1] Cc1nc2nc(nc([O-])c2c(=S)n1-c1ccc(cc1)[*:1])[NH+]1CCCC1
CCOc1ccc(-n2c(C)nc3nc([NH+]4CCCC4)nc([O-])c3c2=S)cc1 CCOc1ccc(cc1)[*:1] Cc1nc2nc(nc([O-])c2c(=S)n1[*:1])[NH+]1CCCC1
CCCCNC(=O)CN1CCOC[C@@H]1CC(C)C CCCC[*:1] CC(C)C[C@H]1COCCN1CC(=O)N[*:1]
CCCCNC(=O)CN1CCOC[C@@H]1CC(C)C CC(C)C[*:1] CCCCNC(=O)CN1CCOC[C@H]1[*:1]
CCCCNC(=O)CN1CCOC[C@@H]1CC(C)C CC(C)[*:1] CCCCNC(=O)CN1CCOC[C@@H]1C[*:1]
CCCCNC(=O)CN1CCOC[C@@H]1CC(C)C CCC[*:1] CC(C)C[C@H]1COCCN1CC(=O)NC[*:1]
Cc1nccn1Cc1cccc(NC(=O)c2cc3ccccc3cc2O)c1 Cc1nccn1C[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2ccccc2cc1O
Cc1nccn1Cc1cccc(NC(=O)c2cc3ccccc3cc2O)c1 Cc1nccn1[*:1] O=C(Nc1cccc(c1)C[*:1])c1cc2ccccc2cc1O
Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 Clc1cccc(c1)[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c2c(=O)n1Cc1cccnc1)[*:1]
Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 c1cncc(c1)C[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3cccc(Cl)c3)c2c(=O)n1[*:1]
Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 c1cncc(c1)[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3cccc(Cl)c3)c2c(=O)n1C[*:1]
CC(=O)N(C)C1CCC2(CC1)C[NH+](Cc1ccncc1)Cc1ccccc1O2 c1cc(ccn1)C[*:1] CC(=O)N(C)C1CCC2(CC1)C[NH+](Cc1ccccc1O2)[*:1]
CC(=O)N(C)C1CCC2(CC1)C[NH+](Cc1ccncc1)Cc1ccccc1O2 CC(=O)N(C)[*:1] c1ccc2OC3(CCC(CC3)[*:1])C[NH+](Cc3ccncc3)Cc2c1
CC(=O)N(C)C1CCC2(CC1)C[NH+](Cc1ccncc1)Cc1ccccc1O2 c1cc(ccn1)[*:1] CC(=O)N(C)C1CCC2(CC1)C[NH+](Cc1ccccc1O2)C[*:1]
CC[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)COc1ccc(Cl)cc1Br)[*:1]
COCCN1CCN(C(=O)C(C)(C)c2cccc(F)c2)CC1=O COC[*:1] CC(C)(C(=O)N1CCN(C[*:1])C(=O)C1)c1cccc(F)c1
COCCN1CCN(C(=O)C(C)(C)c2cccc(F)c2)CC1=O Fc1cccc(c1)[*:1] COCCN1CCN(CC1=O)C(=O)C(C)(C)[*:1]
COCCN1CCN(C(=O)C(C)(C)c2cccc(F)c2)CC1=O COCC[*:1] CC(C)(C(=O)N1CCN(C(=O)C1)[*:1])c1cccc(F)c1
CCN(CC)C(=O)CCCNC(=O)Nc1ccccc1Br Brc1ccccc1[*:1] CCN(CC)C(=O)CCCNC(=O)N[*:1]
CCN(CC)C(=O)CCCNC(=O)Nc1ccccc1Br CCN(CC)C(=O)[*:1] O=C(NCCC[*:1])Nc1ccccc1Br
Cc1nc2c(cnn2C(C)C)cc1C(=O)N(CCO)CC(F)(F)F FC(F)(F)[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)N(CCO)C[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)N(CCO)CC(F)(F)F CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)N(CCO)CC(F)(F)F
Cc1nc2c(cnn2C(C)C)cc1C(=O)N(CCO)CC(F)(F)F OCC[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)N(CC(F)(F)F)[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)N(CCO)CC(F)(F)F FC(F)(F)C[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)N(CCO)[*:1]
COC[C@](C)(NC(=O)Nc1ccc[nH+]c1N1CCOCC1)c1ccccc1 COC[*:1] C[C@](NC(=O)Nc1ccc[nH+]c1N1CCOCC1)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)Nc1ccc[nH+]c1N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)Nc1ccc[nH+]c1N1CCOCC1)[*:1]
COC[C@](C)(NC(=O)Nc1ccc[nH+]c1N1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] COC[C@](C)(NC(=O)Nc1ccc[nH+]c1[*:1])c1ccccc1
O=C(N[C@H]1CCN(CC(F)(F)F)C1)[C@H]1SCCc2sccc21 FC(F)(F)C[*:1] O=C(N[C@H]1CCN(C1)[*:1])[C@H]1SCCc2sccc21
O=C(N[C@H]1CCN(CC(F)(F)F)C1)[C@H]1SCCc2sccc21 FC(F)(F)[*:1] O=C(N[C@H]1CCN(C1)C[*:1])[C@H]1SCCc2sccc21
CC[C@@H](C)/C=C(/C[NH3+])C(C)C CC(C)[*:1] CC[C@@H](C)/C=C(/C[NH3+])[*:1]
CC1(CNS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)COC1 CC1(COC1)[*:1] O=C([O-])c1ccc(cc1)CS(=O)(=O)NC[*:1]
CC1(CNS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)COC1 O=C([O-])[*:1] CC1(CNS(=O)(=O)Cc2ccc(cc2)[*:1])COC1
CC1(CNS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)COC1 CC1(COC1)C[*:1] O=C([O-])c1ccc(cc1)CS(=O)(=O)N[*:1]
C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)C1CCC1 C1CC(C1)[*:1] C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)[*:1]
C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)C1CCC1 C[C@H](C1CCC1)[*:1] O[C@@H](C[NH2+][*:1])c1c(F)cccc1F
Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCc2ccccc2F)c1 Cn1cnnc1[*:1] O=C(CS[*:1])Nc1cccc(c1)C(=O)NCc1ccccc1F
Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCc2ccccc2F)c1 Cn1cnnc1S[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)NCc1ccccc1F
Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCc2ccccc2F)c1 Fc1ccccc1C[*:1] Cn1cnnc1SCC(=O)Nc1cccc(c1)C(=O)N[*:1]
Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCc2ccccc2F)c1 Cn1cnnc1SC[*:1] O=C(NCc1ccccc1F)c1cccc(c1)NC(=O)[*:1]
Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCc2ccccc2F)c1 Fc1ccccc1[*:1] Cn1cnnc1SCC(=O)Nc1cccc(c1)C(=O)NC[*:1]
C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)NC1CC1 c1coc(c1)[*:1] C[C@H](OC(=O)[C@@H](C)NC(=O)[*:1])C(=O)NC1CC1
C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)[*:1]
C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)NC1CC1 C1CC1[*:1] C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)N[*:1]
COc1cccc(C(=O)COc2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 COc1cccc(c1)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1OCC(=O)[*:1]
COc1cccc(C(=O)COc2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 COc1cccc(c1)C(=O)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1OC[*:1]
CCSc1nnc(SCc2nc(-c3cccs3)no2)s1 c1csc(c1)[*:1] CCSc1nnc(SCc2nc(no2)[*:1])s1
CCSc1nnc(SCc2nc(-c3cccs3)no2)s1 CCS[*:1] c1csc(c1)-c1noc(CSc2nnc(s2)[*:1])n1
CCCNC(=O)C1(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CCC1 Cc1ccc(cc1)[*:1] CCCNC(=O)C1(CCC1)c1ccc(cc1)NC(=O)[*:1]
CCCNC(=O)C1(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CCC1 CCC[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C1(CCC1)C(=O)N[*:1]
CCCNC(=O)C1(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CCC1 CCCNC(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C1(CCC1)[*:1]
N#Cc1cccc(OC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1 N#Cc1cccc(c1)[*:1] c1ccc(cc1)-c1n[nH]cc1C[NH+]1CCC(CC1)O[*:1]
N#Cc1cccc(OC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1 N#Cc1cccc(c1)O[*:1] c1ccc(cc1)-c1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
N#Cc1cccc(OC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)OC1CC[NH+](CC1)Cc1c[nH]nc1[*:1]
C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)C(N)=O NC(=O)[*:1] C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)[*:1]
C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)C(N)=O C[C@H](C(N)=O)[*:1] C1C[C@@H]2CO[C@@H](C[NH2+][*:1])CN2C1
O=C(Nc1nnc(C2CCCCC2)s1)C1CCN(C(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(Nc1nnc(s1)C1CCCCC1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1nnc(C2CCCCC2)s1)C1CCN(C(=O)c2ccccc2Cl)CC1 C1CCC(CC1)[*:1] O=C(Nc1nnc(s1)[*:1])C1CCN(CC1)C(=O)c1ccccc1Cl
C[C@@H](NC(=O)Nc1nncs1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@@H](NC(=O)Nc1nncs1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)Nc1nncs1)c1cccc(-n2cccn2)c1 c1nnc(s1)[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(c1)-n1cccn1
CCCCNC(=O)NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O CCCC[*:1] Cn1c(N)c(C(=O)CNC(=O)N[*:1])c(=O)n(C)c1=O
CCCCNC(=O)NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O CCC[*:1] Cn1c(N)c(C(=O)CNC(=O)NC[*:1])c(=O)n(C)c1=O
CC(C)S(=O)(=O)Cc1cccc(NCC(=O)Nc2ccccc2Br)c1 Brc1ccccc1[*:1] CC(C)S(=O)(=O)Cc1cccc(c1)NCC(=O)N[*:1]
CC(C)S(=O)(=O)Cc1cccc(NCC(=O)Nc2ccccc2Br)c1 CC(C)S(=O)(=O)C[*:1] O=C(CNc1cccc(c1)[*:1])Nc1ccccc1Br
CC(C)S(=O)(=O)Cc1cccc(NCC(=O)Nc2ccccc2Br)c1 CC(C)S(=O)(=O)[*:1] O=C(CNc1cccc(c1)C[*:1])Nc1ccccc1Br
CC(C)S(=O)(=O)Cc1cccc(NCC(=O)Nc2ccccc2Br)c1 CC(C)[*:1] O=C(CNc1cccc(c1)CS(=O)(=O)[*:1])Nc1ccccc1Br
C[C@@H](C(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1)[NH+](C)C O=C1OCCN1[*:1] C[C@@H](C(=O)N[C@H](C)c1ccc(cc1)[*:1])[NH+](C)C
COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)c(cc1OC)[*:1]
COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1OC Fc1ccc(cc1F)[*:1] COc1cc(/C=C/C(=O)[*:1])c(cc1OC)[N+](=O)[O-]
COc1ccc([C@@H]2[NH+]=N/C(=N\C(=O)Cc3ccccc3)S2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1[NH+]=N/C(=N\C(=O)C[*:1])S1
COc1ccc([C@@H]2[NH+]=N/C(=N\C(=O)Cc3ccccc3)S2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)[C@@H]1[NH+]=N/C(=N\C(=O)[*:1])S1
CC[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] CC[NH2+]CC(=O)Nc1ccc(cc1OC)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2Oc2cccc(F)c2)c1C Fc1cccc(c1)O[*:1] CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2Oc2cccc(F)c2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)Nc2ccccc2Oc2cccc(F)c2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2Oc2cccc(F)c2)c1C Fc1cccc(c1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2O[*:1])c1C
Cc1cc(F)ccc1NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] Cc1cc(F)ccc1NC(=O)c1ccnc(c1)O[*:1]
Cc1cc(F)ccc1NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] Cc1cc(F)ccc1NC(=O)c1ccnc(c1)[*:1]
Cc1ccc([C@H]2CCCN2C(=O)CC[C@]2(c3ccccc3)NC(=O)NC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C1NC(=O)[C@](CCC(=O)N2CCC[C@@H]2[*:1])(N1)c1ccccc1
Cc1ccc([C@H]2CCCN2C(=O)CC[C@]2(c3ccccc3)NC(=O)NC2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)[C@H]1CCCN1C(=O)CC[C@@]1(NC(=O)NC1=O)[*:1]
O=C(COc1ccccc1F)N=c1[nH]c2ccccc2[nH]1 Fc1ccccc1[*:1] O=C(CO[*:1])N=c1[nH]c2ccccc2[nH]1
Cc1ccc([C@@H](CNc2oc(C(C)C)nc2C#N)N2CCOCC2)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@@H](CNc1oc(nc1C#N)[*:1])N1CCOCC1
Cc1ccc([C@@H](CNc2oc(C(C)C)nc2C#N)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](CNc1oc(nc1C#N)C(C)C)[*:1]
Cc1ccc([C@@H](CNc2oc(C(C)C)nc2C#N)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1nc(C#N)c(NC[C@@H](N2CCOCC2)[*:1])o1
COCCN[C@@]1(c2nc3c(s2)CCC3)CSCCC1(C)C COCCN[*:1] CC1(C)CCSC[C@@]1(c1nc2CCCc2s1)[*:1]
COCCN[C@@]1(c2nc3c(s2)CCC3)CSCCC1(C)C COC[*:1] CC1(C)CCSC[C@@]1(NC[*:1])c1nc2CCCc2s1
COCCN[C@@]1(c2nc3c(s2)CCC3)CSCCC1(C)C COCC[*:1] CC1(C)CCSC[C@@]1(N[*:1])c1nc2CCCc2s1
C[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 C1CC1[*:1] C[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C[NH3+])[*:1]
CCOc1cccc(CO)c1OCc1ccc(Cl)cc1Cl CCO[*:1] OCc1cccc(c1OCc1ccc(Cl)cc1Cl)[*:1]
Cc1nc([C@H]2CCCN(C(=O)c3ccccc3OC3CCC3)C2)no1 C1CC(C1)O[*:1] Cc1nc(no1)[C@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
Cc1nc([C@H]2CCCN(C(=O)c3ccccc3OC3CCC3)C2)no1 C1CC(C1)[*:1] Cc1nc(no1)[C@H]1CCCN(C1)C(=O)c1ccccc1O[*:1]
Cc1nc([C@H]2CCCN(C(=O)c3ccccc3OC3CCC3)C2)no1 Cc1nc(no1)[*:1] O=C(c1ccccc1OC1CCC1)N1CCC[C@@H](C1)[*:1]
CCn1nc(C)c(NC(=O)c2cccc(C(F)(F)F)c2F)c1C FC(F)(F)[*:1] CCn1nc(C)c(NC(=O)c2cccc(c2F)[*:1])c1C
O=C(CCC(=O)c1ccc2c(c1)CCC2)N[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(CCC(=O)c1ccc2CCCc2c1)N[C@@H]1CCN(C1=O)[*:1]
O=C(CCC(=O)c1ccc2c(c1)CCC2)N[C@@H]1CCN(c2ccccc2)C1=O c1cc2CCCc2cc1[*:1] O=C(CCC(=O)[*:1])N[C@@H]1CCN(C1=O)c1ccccc1
C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 FC(F)(F)[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ccc(Cl)cc1)C(=O)Nc1nc(n[n-]1)[*:1]
C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)[*:1])C(=O)Nc1nc(n[n-]1)C(F)(F)F
COc1cc(/C=C(\C#N)C(N)=S)c(Br)cc1O NC(=S)[*:1] COc1cc(C=C(C#N)[*:1])c(Br)cc1O
CCCN(C(=O)Nc1nc(C(C)C)nn1C)[C@H]1C[C@H](OCC)C1(C)C CCC[*:1] CCO[C@H]1C[C@H](N(C(=O)Nc2nc(nn2C)C(C)C)[*:1])C1(C)C
CCCN(C(=O)Nc1nc(C(C)C)nn1C)[C@H]1C[C@H](OCC)C1(C)C CC(C)[*:1] CCCN(C(=O)Nc1nc(nn1C)[*:1])[C@H]1C[C@H](OCC)C1(C)C
CCCN(C(=O)Nc1nc(C(C)C)nn1C)[C@H]1C[C@H](OCC)C1(C)C CCO[*:1] CCCN(C(=O)Nc1nc(nn1C)C(C)C)[C@H]1C[C@H](C1(C)C)[*:1]
Cc1cc(Br)cc(C(=O)[O-])n1 O=C([O-])[*:1] Cc1cc(Br)cc(n1)[*:1]
C[NH+](Cc1ccn[nH]1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 c1cc([nH]n1)[*:1] C[NH+](Cc1c[nH]nc1-c1ccc(cc1)-c1ccccc1)C[*:1]
C[NH+](Cc1ccn[nH]1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[NH+](Cc1ccn[nH]1)Cc1c[nH]nc1-c1ccc(cc1)[*:1]
Cc1cc(C(=O)NCCCOc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)C(=O)NCCCO[*:1]
Cc1cc(C(=O)NCCCOc2ccccc2)no1 Cc1cc(no1)[*:1] O=C(NCCCOc1ccccc1)[*:1]
CCCn1c(=O)c2ccccc2n2c(=O)n(Cc3ccccc3)nc12 CCC[*:1] O=c1c2ccccc2n2c(=O)n(Cc3ccccc3)nc2n1[*:1]
CCCn1c(=O)c2ccccc2n2c(=O)n(Cc3ccccc3)nc12 c1ccc(cc1)C[*:1] CCCn1c(=O)c2ccccc2n2c(=O)n(nc12)[*:1]
CCCn1c(=O)c2ccccc2n2c(=O)n(Cc3ccccc3)nc12 c1ccc(cc1)[*:1] CCCn1c(=O)c2ccccc2n2c(=O)n(C[*:1])nc12
CCOc1ccccc1C(=O)NCC(=O)Nc1cccc(SC)c1 CSc1cccc(c1)[*:1] CCOc1ccccc1C(=O)NCC(=O)N[*:1]
CCOc1ccccc1C(=O)NCC(=O)Nc1cccc(SC)c1 CCO[*:1] CSc1cccc(c1)NC(=O)CNC(=O)c1ccccc1[*:1]
CN1C(=O)C(=O)N(CC(=O)Nc2ccc(-n3cccn3)c(F)c2)C1=O c1cnn(c1)[*:1] CN1C(=O)C(=O)N(CC(=O)Nc2ccc(c(F)c2)[*:1])C1=O
Cc1ccc(NC(=O)COC(=O)CCC2CCCC2)c(Br)c1 C1CCC(C1)CC[*:1] Cc1ccc(NC(=O)COC(=O)[*:1])c(Br)c1
Cc1ccc(NC(=O)COC(=O)CCC2CCCC2)c(Br)c1 C1CCC(C1)[*:1] Cc1ccc(NC(=O)COC(=O)CC[*:1])c(Br)c1
Cc1ccc(NC(=O)COC(=O)CCC2CCCC2)c(Br)c1 C1CCC(C1)C[*:1] Cc1ccc(NC(=O)COC(=O)C[*:1])c(Br)c1
O=C1[C@H](O/N=C/c2cccs2)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](CCN1[*:1])O/N=C/c1cccs1
O=C1[C@H](O/N=C/c2cccs2)CCN1c1ccccc1 c1csc(c1)[*:1] O=C1[C@@H](CCN1c1ccccc1)ON=C[*:1]
CCOc1ccc(-c2nc3c(s2)CN(C(=O)c2ccc(C)cc2)CC3)cc1 CCO[*:1] Cc1ccc(cc1)C(=O)N1CCc2nc(sc2C1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc3c(s2)CN(C(=O)c2ccc(C)cc2)CC3)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCc2nc(sc2C1)[*:1]
CCOc1ccc(-c2nc3c(s2)CN(C(=O)c2ccc(C)cc2)CC3)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1nc2CCN(Cc2s1)C(=O)[*:1]
c1ccc2[nH+]c(NC[C@]3(N4CCOCC4)CCSC3)[nH]c2c1 C1CN(CCO1)[*:1] c1ccc2[nH+]c(NC[C@@]3(CCSC3)[*:1])[nH]c2c1
C[C@H](N[C@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](N[C@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1)[*:1]
O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1cccc(c1)[*:1]
Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 Cc1n[nH]c(C)c1[*:1] C[NH+](C)[C@@H]1CCCN(CC1)C(=O)CC[*:1]
CCc1cc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)n(C)n1 CCc1cc(n(C)n1)[*:1] Cc1cnc(C)c(n1)-c1cc(F)cc2C[C@H](CNC(=O)[*:1])Oc21
CCc1cc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)n(C)n1 Cc1cnc(C)c(n1)[*:1] CCc1cc(C(=O)NC[C@H]2Cc3cc(F)cc(c3O2)[*:1])n(C)n1
O=C(Nc1cccnc1-n1cccn1)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] O=C(Nc1cccnc1-n1cccn1)c1ccc(cc1)[*:1]
O=C(Nc1cccnc1-n1cccn1)c1ccc(-c2cscn2)cc1 c1cnn(c1)[*:1] O=C(Nc1cccnc1[*:1])c1ccc(cc1)-c1cscn1
CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)c1ncc[nH]1)C2 CN(C)[*:1] O=C(c1ncc[nH]1)N1CCc2c(C1)nc(nc2[*:1])-c1ccccc1
CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)c1ncc[nH]1)C2 c1c[nH]c(n1)[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)[*:1])-c1ccccc1
CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)c1ncc[nH]1)C2 c1ccc(cc1)[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)c1ncc[nH]1)[*:1]
COc1cccc2cc(-c3csc(NC(=O)c4ccccc4[N+](=O)[O-])n3)oc12 O=[N+]([O-])[*:1] COc1cccc2cc(oc12)-c1csc(n1)NC(=O)c1ccccc1[*:1]
COc1cccc2cc(-c3csc(NC(=O)c4ccccc4[N+](=O)[O-])n3)oc12 O=[N+]([O-])c1ccccc1[*:1] COc1cccc2cc(oc12)-c1csc(n1)NC(=O)[*:1]
N#C[C@H](C(=O)N1CCN2C(=O)NC[C@H]2C1)c1ccccc1 c1ccc(cc1)[*:1] N#C[C@H](C(=O)N1CCN2C(=O)NC[C@H]2C1)[*:1]
COc1cccc([C@@H](C#N)[C@H](C#N)c2ccccc2)c1OC c1ccc(cc1)[*:1] COc1cccc(c1OC)[C@@H](C#N)[C@H](C#N)[*:1]
CCCCn1nc(NC(=O)COC)c2cc3cc(OC)ccc3nc21 CCC[*:1] COCC(=O)Nc1nn(C[*:1])c2nc3ccc(cc3cc12)OC
CCCCn1nc(NC(=O)COC)c2cc3cc(OC)ccc3nc21 COC[*:1] CCCCn1nc(NC(=O)[*:1])c2cc3cc(ccc3nc21)OC
CCCCn1nc(NC(=O)COC)c2cc3cc(OC)ccc3nc21 CCCC[*:1] COCC(=O)Nc1nn(c2nc3ccc(cc3cc12)OC)[*:1]
CCCCn1nc(NC(=O)COC)c2cc3cc(OC)ccc3nc21 COCC(=O)N[*:1] CCCCn1nc(c2cc3cc(ccc3nc21)OC)[*:1]
C[C@@H](C1CC1)N(C)c1ccc([N+](=O)[O-])cn1 C[C@@H](C1CC1)[*:1] CN(c1ccc(cn1)[N+](=O)[O-])[*:1]
C[C@@H](C1CC1)N(C)c1ccc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] C[C@@H](C1CC1)N(C)c1ccc(cn1)[*:1]
C[C@@H](C1CC1)N(C)c1ccc([N+](=O)[O-])cn1 C1CC1[*:1] C[C@@H](N(C)c1ccc(cn1)[N+](=O)[O-])[*:1]
CN1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 O=[N+]([O-])[*:1] CN1CC[NH+](CCC(=O)Nc2cccc(c2)[*:1])C2(CCCCC2)C1
CN(C)c1cc(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)cc(Cl)n1 c1cnc(nc1)[*:1] CN(C)c1cc(cc(Cl)n1)C(=O)NC[C@H]1CCCN(C1)[*:1]
CN(C)c1cc(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)cc(Cl)n1 CN(C)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)c1cc(Cl)nc(c1)[*:1]
CC[C@H](C)C[C@@H](C)Nc1nc(Br)cs1 CC[C@H](C)[*:1] C[C@H](C[*:1])Nc1nc(Br)cs1
C/C(=C/C(=O)N1C[C@@H](C)OCC1(C)C)c1ccccc1F Fc1ccccc1[*:1] CC(=CC(=O)N1C[C@@H](C)OCC1(C)C)[*:1]
COc1cc(/C=N/OCc2nc(C)c(C)s2)ccc1OC(F)F Cc1nc(sc1C)[*:1] COc1cc(/C=N/OC[*:1])ccc1OC(F)F
COc1cc(/C=N/OCc2nc(C)c(C)s2)ccc1OC(F)F FC(F)[*:1] COc1cc(/C=N/OCc2nc(C)c(C)s2)ccc1O[*:1]
COc1cc(/C=N/OCc2nc(C)c(C)s2)ccc1OC(F)F FC(F)O[*:1] COc1cc(/C=N/OCc2nc(C)c(C)s2)ccc1[*:1]
CCc1cccc(NC(=O)C(=O)N2CCN(Cc3csc(CC)n3)CC2)c1 CCc1nc(cs1)[*:1] CCc1cccc(c1)NC(=O)C(=O)N1CCN(CC1)C[*:1]
CCc1cccc(NC(=O)C(=O)N2CCN(Cc3csc(CC)n3)CC2)c1 CCc1nc(cs1)C[*:1] CCc1cccc(c1)NC(=O)C(=O)N1CCN(CC1)[*:1]
CCc1cccc(NC(=O)C(=O)N2CCN(Cc3csc(CC)n3)CC2)c1 CCc1cccc(c1)[*:1] CCc1nc(cs1)CN1CCN(CC1)C(=O)C(=O)N[*:1]
Cc1cc(S(=O)(=O)N[C@H](CO)C(C)C)ccc1Br CC(C)[C@@H](CO)[*:1] Cc1cc(ccc1Br)S(=O)(=O)N[*:1]
Cc1cc(S(=O)(=O)N[C@H](CO)C(C)C)ccc1Br CC(C)[*:1] Cc1cc(ccc1Br)S(=O)(=O)N[C@H](CO)[*:1]
C[C@H](Sc1ccc(Cl)cc1)C(=O)O[C@H](C)C(N)=O C[C@H](C(N)=O)[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)O[*:1]
C[C@H](Sc1ccc(Cl)cc1)C(=O)O[C@H](C)C(N)=O NC(=O)[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)O[C@H](C)[*:1]
Cc1ccc([C@@H]2C[NH+]=C(N)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)[C@@H]1C[NH+]=C(N)N1C[*:1]
Cc1ccc([C@@H]2C[NH+]=C(N)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)[C@@H]1C[NH+]=C(N)N1[*:1]
CC[C@H](C(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1 C1CCC(C1)[*:1] CC[C@H](C(=O)N[*:1])c1cccc(c1)C(F)(F)F
CC[C@H](C(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](C(=O)NC1CCCC1)c1cccc(c1)[*:1]
Cn1c(NCC2(N3CCOCC3)CCCCC2)c(C#N)c(=O)n(C)c1=O C1CN(CCO1)[*:1] Cn1c(NCC2(CCCCC2)[*:1])c(C#N)c(=O)n(C)c1=O
Cc1ccsc1CNC(=O)NC[C@H]1CC[C@@H](C(=O)[O-])O1 Cc1ccsc1[*:1] O=C(NC[C@H]1CC[C@H](O1)C(=O)[O-])NC[*:1]
Cc1ccsc1CNC(=O)NC[C@H]1CC[C@@H](C(=O)[O-])O1 O=C([O-])[*:1] Cc1ccsc1CNC(=O)NC[C@H]1CC[C@@H](O1)[*:1]
O=S(=O)(Cc1ccccc1)N1CCC[C@@H]1C1CCCC1 C1CCC(C1)[*:1] O=S(=O)(Cc1ccccc1)N1CCC[C@H]1[*:1]
O=S(=O)(Cc1ccccc1)N1CCC[C@@H]1C1CCCC1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])N1CCC[C@@H]1C1CCCC1
CCC(O)(CC)CNC(=O)C(=O)Nc1ccc(Cl)nc1 CCC(O)(CC)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(Cl)nc1
N#C[C@H](C(=O)c1ccc(Cl)cc1)c1nnnn1-c1ccccc1 Clc1ccc(cc1)[*:1] N#C[C@H](C(=O)[*:1])c1nnnn1-c1ccccc1
N#C[C@H](C(=O)c1ccc(Cl)cc1)c1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] N#C[C@H](C(=O)c1ccc(Cl)cc1)c1nnnn1[*:1]
CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](C)NC(N)=O)cc1 NC(=O)N[*:1] CC(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)[C@@H](C)[*:1]
CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](C)NC(N)=O)cc1 C[C@@H](NC(N)=O)[*:1] CC(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)[*:1]
CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](C)NC(N)=O)cc1 CC(C)[*:1] C[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
O=C(c1ccc(O)cc1)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 O=c1[nH]nc(C[*:1])[nH]1 O=C(c1ccc(O)cc1)N1CCN(CC1)[*:1]
O=C(c1ccc(O)cc1)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 Oc1ccc(cc1)[*:1] O=C(N1CCN(CC1)Cc1n[nH]c(=O)[nH]1)[*:1]
O=C(c1ccc(O)cc1)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 O=c1[nH]nc([nH]1)[*:1] O=C(c1ccc(O)cc1)N1CCN(CC1)C[*:1]
Cc1cc(Br)ccc1NC(=O)N(C)CCO OCC[*:1] Cc1cc(Br)ccc1NC(=O)N(C)[*:1]
CSc1ccc(NC(=O)C(=O)NCC(C)(C)c2cccs2)cc1F c1csc(c1)[*:1] CSc1ccc(cc1F)NC(=O)C(=O)NCC(C)(C)[*:1]
CSc1ccc(NC(=O)C(=O)NCC(C)(C)c2cccs2)cc1F CC(C)(c1cccs1)[*:1] CSc1ccc(cc1F)NC(=O)C(=O)NC[*:1]
Cn1ncnc1CCNC(=O)c1ccc(COc2ccccc2C#N)o1 Cn1ncnc1CC[*:1] N#Cc1ccccc1OCc1ccc(o1)C(=O)N[*:1]
Cn1ncnc1CCNC(=O)c1ccc(COc2ccccc2C#N)o1 Cn1ncnc1[*:1] N#Cc1ccccc1OCc1ccc(o1)C(=O)NCC[*:1]
Cn1ncnc1CCNC(=O)c1ccc(COc2ccccc2C#N)o1 N#Cc1ccccc1[*:1] Cn1ncnc1CCNC(=O)c1ccc(CO[*:1])o1
Cn1ncnc1CCNC(=O)c1ccc(COc2ccccc2C#N)o1 Cn1ncnc1C[*:1] N#Cc1ccccc1OCc1ccc(o1)C(=O)NC[*:1]
O=C(NCCC[NH+]1CCCCC1)Nc1ccc[nH+]c1N1CCCC1 C1CCN(C1)[*:1] O=C(NCCC[NH+]1CCCCC1)Nc1ccc[nH+]c1[*:1]
CC(C)/N=c1\ccccn1C(=O)c1ccc(Cl)cc1 CC(C)[*:1] O=C(c1ccc(Cl)cc1)n1ccccc1=N[*:1]
CCOC(=O)CCc1c(C)[nH]c2c(C(=O)Nc3cc(Cl)ccc3C)cnn2c1=O CCOC(=O)C[*:1] Cc1ccc(Cl)cc1NC(=O)c1cnn2c(=O)c(C[*:1])c(C)[nH]c12
CCOC(=O)CCc1c(C)[nH]c2c(C(=O)Nc3cc(Cl)ccc3C)cnn2c1=O CCOC(=O)CC[*:1] Cc1ccc(Cl)cc1NC(=O)c1cnn2c(=O)c(c(C)[nH]c12)[*:1]
CCOC(=O)CCc1c(C)[nH]c2c(C(=O)Nc3cc(Cl)ccc3C)cnn2c1=O Cc1ccc(Cl)cc1[*:1] CCOC(=O)CCc1c(C)[nH]c2c(cnn2c1=O)C(=O)N[*:1]
CCOC(=O)CCc1c(C)[nH]c2c(C(=O)Nc3cc(Cl)ccc3C)cnn2c1=O CCOC(=O)[*:1] Cc1ccc(Cl)cc1NC(=O)c1cnn2c(=O)c(CC[*:1])c(C)[nH]c12
Cc1oc2c(c1C(=O)[O-])C(=O)C[C@H](c1ccco1)C2 c1coc(c1)[*:1] Cc1oc2C[C@@H](CC(=O)c2c1C(=O)[O-])[*:1]
Cc1oc2c(c1C(=O)[O-])C(=O)C[C@H](c1ccco1)C2 O=C([O-])[*:1] Cc1oc2C[C@H](CC(=O)c2c1[*:1])c1ccco1
CCc1ccc(-c2cnc(C[NH2+]C(C)C)o2)o1 CC(C)[*:1] CCc1ccc(o1)-c1cnc(C[NH2+][*:1])o1
O=C(NCC1CC1)c1cc2sccc2n1Cc1ccccc1F O=C(NCC1CC1)[*:1] Fc1ccccc1Cn1c(cc2sccc21)[*:1]
O=C(NCC1CC1)c1cc2sccc2n1Cc1ccccc1F Fc1ccccc1[*:1] O=C(NCC1CC1)c1cc2sccc2n1C[*:1]
O=C(NCC1CC1)c1cc2sccc2n1Cc1ccccc1F C1CC1[*:1] O=C(NC[*:1])c1cc2sccc2n1Cc1ccccc1F
O=C(NCC1CC1)c1cc2sccc2n1Cc1ccccc1F C1CC1C[*:1] O=C(N[*:1])c1cc2sccc2n1Cc1ccccc1F
COc1cc(NC(=O)CN2CCOC[C@H]2C2CC2)cc(OC)c1 C1CC1[*:1] COc1cc(cc(c1)OC)NC(=O)CN1CCOC[C@@H]1[*:1]
CC[C@H](C)N(C)C(=O)Nc1ccc(OC)cc1 CC[C@H](C)[*:1] COc1ccc(cc1)NC(=O)N(C)[*:1]
CCc1cc2c(N3CCC[C@H](C(=O)NCCCN4CCCc5ccccc54)C3)ncnc2s1 c1ccc2c(c1)CCCN2[*:1] CCc1cc2c(ncnc2s1)N1CCC[C@@H](C1)C(=O)NCCC[*:1]
CCc1cc2c(N3CCC[C@H](C(=O)NCCCN4CCCc5ccccc54)C3)ncnc2s1 CCc1cc2c(ncnc2s1)[*:1] O=C(NCCCN1CCCc2ccccc21)[C@H]1CCCN(C1)[*:1]
CCc1cc2c(N3CCC[C@H](C(=O)NCCCN4CCCc5ccccc54)C3)ncnc2s1 c1ccc2c(c1)CCCN2C[*:1] CCc1cc2c(ncnc2s1)N1CCC[C@@H](C1)C(=O)NCC[*:1]
O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCCCCC1 c1ccc(cc1)OC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCCCCC1
O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(Cn1c(CO[*:1])nc2ccccc21)N1CCCCCC1
O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] c1ccc(cc1)OCc1nc2ccccc2n1C[*:1]
O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCCCCC1 c1ccc(cc1)O[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)N1CCCCCC1
Cc1nn(C)cc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn(C)cc1[C@H]1Nc2ccccc2C(=O)N1[*:1]
Cc1nn(C)cc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1 Cc1nn(C)cc1[*:1] O=C1c2ccccc2N[C@@H](N1c1ccc(Cl)cc1)[*:1]
C[C@H](Sc1ccc(N)c(Cl)c1)C(=O)[O-] O=C([O-])[*:1] C[C@H](Sc1ccc(N)c(Cl)c1)[*:1]
Nc1ccc2c(c1)CC[C@H]2[NH2+]CCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Nc1ccc2c(c1)CC[C@H]2[NH2+]CCCO[*:1]
Nc1ccc2c(c1)CC[C@H]2[NH2+]CCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Nc1ccc2c(c1)CC[C@H]2[NH2+]CCCOC[*:1]
Nc1ccc2c(c1)CC[C@H]2[NH2+]CCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] Nc1ccc2c(c1)CC[C@H]2[NH2+]CCC[*:1]
Cc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2ccon2)c(C)c1 c1cc(no1)[*:1] Cc1ccc(NC(=O)[C@H](C)[S@](=O)C[*:1])c(C)c1
Cc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2ccon2)c(C)c1 c1cc(C[*:1])no1 Cc1ccc(NC(=O)[C@H](C)[S@](=O)[*:1])c(C)c1
COC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1 Cc1ccc(c(C)c1)[*:1] COC(=O)c1cccc(c1)O[C@@H](C)C(=O)N[*:1]
COC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1 COC(=O)[*:1] Cc1ccc(NC(=O)[C@H](C)Oc2cccc(c2)[*:1])c(C)c1
O=C(Nc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(c1ccc(cc1)[*:1])N1CCN(CCOc2ccccc2)CC1
O=C(Nc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1)c1cccs1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCN(CCO[*:1])CC1)c1cccs1
O=C(Nc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1)c1cccs1 c1ccc(cc1)OC[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCN(CC1)C[*:1])c1cccs1
O=C(Nc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1)c1cccs1 c1ccc(cc1)OCC[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCN(CC1)[*:1])c1cccs1
O=C(Nc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1)c1cccs1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCN(CC1)CC[*:1])c1cccs1
O=C(Nc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1)c1cccs1 c1csc(c1)[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCN(CCOc2ccccc2)CC1
O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](COCc2ccccc2)C1 c1ccc(cc1)COC[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](C1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](COCc2ccccc2)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@H](COCc2ccccc2)C1
O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](COCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](CO[*:1])C1
O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](COCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](COC[*:1])C1
O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](COCc2ccccc2)C1 c1ccc(cc1)CO[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C1)C[*:1]
Cc1cccc(-c2nnc(NC(=O)c3cc4ccccc4o3)o2)c1 Cc1cccc(c1)[*:1] O=C(Nc1nnc(o1)[*:1])c1cc2ccccc2o1
CCc1c(C)sc(NC(=O)c2cnn(-c3ccncc3)c2C)c1C#N c1cc(ccn1)[*:1] CCc1c(C)sc(NC(=O)c2cnn(c2C)[*:1])c1C#N
Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 CC(C)C[*:1] Cc1ccccc1[C@H](NC(=O)N1CC[C@](O)(C1)C(F)(F)F)[*:1]
Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 CC(C)[*:1] Cc1ccccc1[C@H](C[*:1])NC(=O)N1CC[C@](O)(C1)C(F)(F)F
Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@@](O)(C1)[*:1]
Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 Cc1ccccc1[*:1] CC(C)C[C@H](NC(=O)N1CC[C@](O)(C1)C(F)(F)F)[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCc3cc(Cl)ccn3)c([N+](=O)[O-])c2)C1 Clc1ccnc(c1)CN[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCc3cc(Cl)ccn3)c([N+](=O)[O-])c2)C1 Clc1ccnc(c1)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCc3cc(Cl)ccn3)c([N+](=O)[O-])c2)C1 Clc1ccnc(c1)C[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCc3cc(Cl)ccn3)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(NCc2cc(Cl)ccn2)c(c1)[*:1]
CC(C)(C)NC(=O)C[NH+]1CCC(CO)CC1 CC(C)(C)[*:1] O=C(C[NH+]1CCC(CO)CC1)N[*:1]
OCCN1CC[NH+]([C@@H]2CC[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 OCC[*:1] Fc1ccc(cc1)[C@H]1CC[C@H](c2cc(F)ccc21)[NH+]1CCN(CC1)[*:1]
OCCN1CC[NH+]([C@@H]2CC[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 Fc1ccc(cc1)[*:1] OCCN1CC[NH+](CC1)[C@@H]1CC[C@H](c2ccc(F)cc21)[*:1]
O=C(Nc1cccc(CN2CCO[C@@H]3CCCC[C@@H]32)c1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1cccc(c1)CN1CCO[C@@H]2CCCC[C@@H]21)[*:1]
Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cnccn2)C3)c1 Cc1cccc(c1)[*:1] O=C(c1cnccn1)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cnccn2)C3)c1 c1cnc(cn1)[*:1] Cc1cccc(c1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cnccn2)C3)c1 c1ccn(c1)[*:1] Cc1cccc(c1)-n1nc2CN(Cc2c1[*:1])C(=O)c1cnccn1
CC[NH2+][C@@H](c1cnn(-c2ccccc2)c1)[C@@H]1CCO[C@@H]1C c1ccc(cc1)[*:1] CC[NH2+][C@@H](c1cnn(c1)[*:1])[C@@H]1CCO[C@@H]1C
CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1Cc2ccccc2S1 CC(C)[*:1] [NH3+][C@H](CNC(=O)[C@@H]1Cc2ccccc2S1)[*:1]
Cc1nc2nc(N3CCCC3)nn2c(Cl)c1C C1CCN(C1)[*:1] Cc1nc2nc(nn2c(Cl)c1C)[*:1]
CC(C)[C@H](O)[C@@H](C)c1cc(F)c(Cl)cc1Cl CC(C)[C@H](O)[*:1] C[C@@H](c1cc(F)c(Cl)cc1Cl)[*:1]
CC(C)[C@H](O)[C@@H](C)c1cc(F)c(Cl)cc1Cl CC(C)[*:1] C[C@@H](c1cc(F)c(Cl)cc1Cl)[C@@H](O)[*:1]
CCCN(CC(C)(C)C[NH3+])c1ccc(F)cn1 CCC[*:1] CC(C)(C[NH3+])CN(c1ccc(F)cn1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 CCCC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])NC12CC3CC(CC(C3)C1)C2
CCCC(=O)Nc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 CCC[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])NC12CC3CC(CC(C3)C1)C2
CN(C)c1ccccc1NC(=O)NC1CCCC1 CN(C)[*:1] O=C(Nc1ccccc1[*:1])NC1CCCC1
CN(C)c1ccccc1NC(=O)NC1CCCC1 C1CCC(C1)[*:1] CN(C)c1ccccc1NC(=O)N[*:1]
O=C(NCC[NH+]1CCCCC1)N1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] O=C(NCC[NH+]1CCCCC1)N1CCN(CC1)C(=O)[*:1]
O=C(NCc1ccccc1)Nc1c(-c2ccccc2)[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(NC[*:1])Nc1c([nH]c2ccccc12)-c1ccccc1
O=C(NCc1ccccc1)Nc1c(-c2ccccc2)[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(NCc1ccccc1)Nc1c([nH]c2ccccc12)[*:1]
O=C(NCc1ccccc1)Nc1c(-c2ccccc2)[nH]c2ccccc12 c1ccc(cc1)C[*:1] O=C(Nc1c([nH]c2ccccc12)-c1ccccc1)N[*:1]
Cc1nc(-c2ccc(S(=O)(=O)NC3(C#N)CCCC3)s2)cs1 N#CC1(CCCC1)[*:1] Cc1nc(cs1)-c1ccc(s1)S(=O)(=O)N[*:1]
Cc1nc(-c2ccc(S(=O)(=O)NC3(C#N)CCCC3)s2)cs1 Cc1nc(cs1)[*:1] N#CC1(CCCC1)NS(=O)(=O)c1ccc(s1)[*:1]
CCNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 CCO[*:1] CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 CCNC(=O)[*:1] CCOc1ccc(cc1[N+](=O)[O-])[*:1]
CCNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCNC(=O)c1ccc(OCC)c(c1)[*:1]
CN(C)[C@H](C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 CN(C)[*:1] O=C([C@H](c1ccccc1)[*:1])N1CCN(CC1)c1cnccn1
CN(C)[C@H](C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 c1cnc(cn1)[*:1] CN(C)[C@H](C(=O)N1CCN(CC1)[*:1])c1ccccc1
CN(C)[C@H](C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)[C@H](C(=O)N1CCN(CC1)c1cnccn1)[*:1]
COc1cc(OC)c(NC(=O)c2cccnc2)cc1Cl c1cncc(c1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)[*:1]
Cc1cccc(CC(=O)N2CCC(CSC3=NCCS3)CC2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])N1CCC(CC1)CSC1=NCCS1
CCOc1ccc(NC(=O)N[C@H](CCO)c2cccs2)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)N[C@H](CCO)c1cccs1)[*:1]
CCOc1ccc(NC(=O)N[C@H](CCO)c2cccs2)c(C)c1 c1csc(c1)[*:1] CCOc1ccc(NC(=O)N[C@H](CCO)[*:1])c(C)c1
CCOc1ccc(NC(=O)N[C@H](CCO)c2cccs2)c(C)c1 OCC[*:1] CCOc1ccc(NC(=O)N[C@H](c2cccs2)[*:1])c(C)c1
CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NCC(CC)CC)cc21 CCC(CC)C[*:1] CCNC(=O)N1CCc2ccc(cc21)NC(=O)C(=O)N[*:1]
CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NCC(CC)CC)cc21 CCC(CC)[*:1] CCNC(=O)N1CCc2ccc(cc21)NC(=O)C(=O)NC[*:1]
CCN(C)C(=O)c1cccc(C(=O)N2CCOC[C@@H]2CC(C)C)c1 CC(C)C[*:1] CCN(C)C(=O)c1cccc(c1)C(=O)N1CCOC[C@H]1[*:1]
CCN(C)C(=O)c1cccc(C(=O)N2CCOC[C@@H]2CC(C)C)c1 CCN(C)C(=O)[*:1] CC(C)C[C@H]1COCCN1C(=O)c1cccc(c1)[*:1]
CCN(C)C(=O)c1cccc(C(=O)N2CCOC[C@@H]2CC(C)C)c1 CC(C)[*:1] CCN(C)C(=O)c1cccc(c1)C(=O)N1CCOC[C@@H]1C[*:1]
O=C(CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)NC1CC1 O=C(NC1CC1)[*:1] FC(F)(F)[C@@H]1CCC[C@@H](C1)[NH2+]CC[*:1]
O=C(CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)NC1CC1 C1CC1[*:1] O=C(CC[NH2+][C@H]1CCC[C@H](C1)C(F)(F)F)N[*:1]
O=C(CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)NC1CC1 FC(F)(F)[*:1] O=C(CC[NH2+][C@H]1CCC[C@@H](C1)[*:1])NC1CC1
CC(=O)c1ccc(NC(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@H]1[C@H]2CCO[C@@H]2C1(C)C
CCCn1c(C)nnc1Sc1cncc(-n2nc(C)cc2C)n1 Cc1cc(C)n(n1)[*:1] CCCn1c(C)nnc1Sc1cncc(n1)[*:1]
CCCn1c(C)nnc1Sc1cncc(-n2nc(C)cc2C)n1 CCC[*:1] Cc1cc(C)n(n1)-c1cncc(n1)Sc1nnc(C)n1[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 O=C(N[*:1])[C@H]1CCCO1 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)NS(=O)(=O)[*:1])[C@H]1CCCO1
Nc1nc(C(F)(F)F)c([C@@H](O)c2ccccc2)[nH]1 FC(F)(F)[*:1] Nc1nc(c([nH]1)[C@@H](O)c1ccccc1)[*:1]
Nc1nc(C(F)(F)F)c([C@@H](O)c2ccccc2)[nH]1 c1ccc(cc1)[*:1] Nc1nc(c([nH]1)[C@@H](O)[*:1])C(F)(F)F
CCNC(=O)Cn1c([C@H](C)NC(=O)CC)nc2ccccc21 CCC(=O)N[C@@H](C)[*:1] CCNC(=O)Cn1c(nc2ccccc21)[*:1]
CCNC(=O)Cn1c([C@H](C)NC(=O)CC)nc2ccccc21 CCC(=O)N[*:1] CCNC(=O)Cn1c(nc2ccccc21)[C@H](C)[*:1]
CCNC(=O)Cn1c([C@H](C)NC(=O)CC)nc2ccccc21 CCNC(=O)C[*:1] CCC(=O)N[C@@H](C)c1nc2ccccc2n1[*:1]
CCNC(=O)Cn1c([C@H](C)NC(=O)CC)nc2ccccc21 CCNC(=O)[*:1] CCC(=O)N[C@@H](C)c1nc2ccccc2n1C[*:1]
CC(=O)Nc1cc(NC(=O)NCC(=O)Nc2ccc(F)cc2)c(F)cc1F Fc1ccc(cc1)[*:1] CC(=O)Nc1cc(NC(=O)NCC(=O)N[*:1])c(F)cc1F
CC(=O)Nc1cc(NC(=O)NCC(=O)Nc2ccc(F)cc2)c(F)cc1F CC(=O)N[*:1] O=C(CNC(=O)Nc1cc(c(F)cc1F)[*:1])Nc1ccc(F)cc1
COc1ccc2cc(CN[C@H](C(=O)N3CCOCC3)C(C)C)ccc2c1 O=C(N1CCOCC1)[*:1] COc1ccc2cc(ccc2c1)CN[C@H](C(C)C)[*:1]
COc1ccc2cc(CN[C@H](C(=O)N3CCOCC3)C(C)C)ccc2c1 CC(C)[*:1] COc1ccc2cc(ccc2c1)CN[C@H](C(=O)N1CCOCC1)[*:1]
Cc1ccoc1[C@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ccoc1[C@H](C)[NH2+][C@H](C)C(=O)O[*:1]
Cc1ccoc1[C@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C Cc1ccoc1[*:1] C[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)[*:1]
Cc1ccc([C@@H](O)CNC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@H](O)[*:1])[C@H]1CCCN(C1)c1cnccn1
Cc1ccc([C@@H](O)CNC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1 c1cnc(cn1)[*:1] Cc1ccc(cc1)[C@@H](O)CNC(=O)[C@H]1CCCN(C1)[*:1]
Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](Oc2ccccc2)C1 c1ccc(cc1)O[*:1] Cc1oc(cc1C(=O)N1CC[C@H](C1)[*:1])S(N)(=O)=O
Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](Oc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1oc(cc1C(=O)N1CC[C@@H](C1)O[*:1])S(N)(=O)=O
Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](Oc2ccccc2)C1 NS(=O)(=O)[*:1] Cc1oc(cc1C(=O)N1CC[C@@H](C1)Oc1ccccc1)[*:1]
O=C(Cc1cccc(O)c1)NCc1cccnc1OCc1ccccc1 c1ccc(cc1)CO[*:1] O=C(Cc1cccc(O)c1)NCc1cccnc1[*:1]
O=C(Cc1cccc(O)c1)NCc1cccnc1OCc1ccccc1 Oc1cccc(c1)[*:1] O=C(C[*:1])NCc1cccnc1OCc1ccccc1
O=C(Cc1cccc(O)c1)NCc1cccnc1OCc1ccccc1 Oc1cccc(c1)C[*:1] O=C(NCc1cccnc1OCc1ccccc1)[*:1]
O=C(Cc1cccc(O)c1)NCc1cccnc1OCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cccc(O)c1)NCc1cccnc1OC[*:1]
O=C(Cc1cccc(O)c1)NCc1cccnc1OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1cccc(O)c1)NCc1cccnc1O[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)C1 CCO[*:1] COc1ccc(cc1OC1CCCC1)NC(=O)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)C1 C1CCC(C1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)Nc1ccc(OC)c(c1)O[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)C1 C1CCC(C1)O[*:1] CCOC[C@@H]1CCN(C1)C(=O)Nc1ccc(OC)c(c1)[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)C1 CCOC[*:1] COc1ccc(cc1OC1CCCC1)NC(=O)N1CC[C@H](C1)[*:1]
CCC[NH2+][C@@H](C[NH+](C)C)[C@H]1CCO[C@]2(CCOC2)C1 CCC[*:1] C[NH+](C)C[C@H]([NH2+][*:1])[C@H]1CCO[C@]2(CCOC2)C1
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1nc2ccc(Br)cc2s1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1nc2ccc(Br)cc2s1
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1nc2ccc(Br)cc2s1 O=[N+]([O-])[*:1] O=C(CSc1nnc(o1)-c1ccc(cc1)[*:1])Nc1nc2ccc(Br)cc2s1
Cc1cccn2c(CN3CCN(Cc4cnn(-c5ccccc5)c4)CC3)cnc12 c1ccc(cc1)[*:1] Cc1cccn2c(cnc12)CN1CCN(CC1)Cc1cnn(c1)[*:1]
Cn1ncnc1C[NH+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 CC(C)(C)NC(=O)[*:1] Cn1ncnc1C[NH+](C)CC(=O)N1CCN(CC1)C[*:1]
Cn1ncnc1C[NH+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 Cn1ncnc1[*:1] C[NH+](CC(=O)N1CCN(CC1)CC(=O)NC(C)(C)C)C[*:1]
Cn1ncnc1C[NH+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] Cn1ncnc1C[NH+](C)CC(=O)N1CCN(CC1)CC(=O)N[*:1]
Cn1ncnc1C[NH+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 CC(C)(C)NC(=O)C[*:1] Cn1ncnc1C[NH+](C)CC(=O)N1CCN(CC1)[*:1]
C[C@@H]1CN(Cc2coc(-c3cccs3)n2)c2ccccc21 c1csc(c1)[*:1] C[C@@H]1CN(Cc2coc(n2)[*:1])c2ccccc21
COCCCN1CC2(CCN(C(=O)[C@@H](O)c3ccccc3Cl)CC2)CC1=O COCCC[*:1] O=C([C@@H](O)c1ccccc1Cl)N1CCC2(CC1)CC(=O)N(C2)[*:1]
COCCCN1CC2(CCN(C(=O)[C@@H](O)c3ccccc3Cl)CC2)CC1=O COCC[*:1] O=C1CC2(CCN(CC2)C(=O)[C@@H](O)c2ccccc2Cl)CN1C[*:1]
COCCCN1CC2(CCN(C(=O)[C@@H](O)c3ccccc3Cl)CC2)CC1=O COC[*:1] O=C1CC2(CCN(CC2)C(=O)[C@@H](O)c2ccccc2Cl)CN1CC[*:1]
COCCCN1CC2(CCN(C(=O)[C@@H](O)c3ccccc3Cl)CC2)CC1=O O[C@@H](c1ccccc1Cl)[*:1] COCCCN1CC2(CCN(CC2)C(=O)[*:1])CC1=O
COCCCN1CC2(CCN(C(=O)[C@@H](O)c3ccccc3Cl)CC2)CC1=O Clc1ccccc1[*:1] COCCCN1CC2(CCN(CC2)C(=O)[C@@H](O)[*:1])CC1=O
Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C)CCC2)c(C)c1 CC1(CCC1)[*:1] Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[*:1])c(C)c1
C[C@H](O)c1cc[nH+]c(N(C)C[C@@H](C)C#N)c1 C[C@@H](C#N)[*:1] C[C@H](O)c1cc[nH+]c(c1)N(C)C[*:1]
C[C@H](O)c1cc[nH+]c(N(C)C[C@@H](C)C#N)c1 C[C@H](O)[*:1] C[C@@H](C#N)CN(C)c1cc(cc[nH+]1)[*:1]
C[C@H](O)c1cc[nH+]c(N(C)C[C@@H](C)C#N)c1 C[C@@H](C#N)C[*:1] C[C@H](O)c1cc[nH+]c(c1)N(C)[*:1]
CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCC(=O)N1CCc2cc(OC)c(cc2[C@H]1COc1cccc(c1)[*:1])OC
CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] CCC(=O)N1CCc2cc(OC)c(cc2[C@H]1CO[*:1])OC
COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2-c2nc(C)no2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1noc(n1)-c1ccccc1OCC(=O)N1CCC[C@@H]1[*:1]
COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2-c2nc(C)no2)c(OC)c1 Cc1noc(n1)[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)COc1ccccc1[*:1]
Clc1ccc(C[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)o1 Clc1ccc(o1)[*:1] C1CCN2C[C@H](C[NH2+]C[*:1])OC[C@H]2C1
COC(=O)C[C@H](NC(=O)Nc1nc(C)c(C)o1)c1cccc(Cl)c1 COC(=O)C[*:1] Cc1nc(NC(=O)N[C@H](c2cccc(Cl)c2)[*:1])oc1C
COC(=O)C[C@H](NC(=O)Nc1nc(C)c(C)o1)c1cccc(Cl)c1 Cc1nc(oc1C)[*:1] COC(=O)C[C@H](NC(=O)N[*:1])c1cccc(Cl)c1
COC(=O)C[C@H](NC(=O)Nc1nc(C)c(C)o1)c1cccc(Cl)c1 COC(=O)[*:1] Cc1nc(NC(=O)N[C@@H](C[*:1])c2cccc(Cl)c2)oc1C
COC(=O)C[C@H](NC(=O)Nc1nc(C)c(C)o1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)C[C@H](NC(=O)Nc1nc(C)c(C)o1)[*:1]
COc1ccc(/C=N/NC(=O)C(C)(C)O)cc1OC(C)C CC(C)[*:1] COc1ccc(/C=N/NC(=O)C(C)(C)O)cc1O[*:1]
COc1ccc(/C=N/NC(=O)C(C)(C)O)cc1OC(C)C CC(C)O[*:1] COc1ccc(/C=N/NC(=O)C(C)(C)O)cc1[*:1]
COc1ccc(/C=N/NC(=O)C(C)(C)O)cc1OC(C)C CC(C)(O)[*:1] COc1ccc(/C=N/NC(=O)[*:1])cc1OC(C)C
CC(C)N(C[C@H]1CCCCO1)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 CC(C)[*:1] O=C([C@@H]1C[C@@H]1c1ccc2OCCOc2c1)N(C[C@H]1CCCCO1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)[C@@H]1C[C@@H]1c1ccc2OCCOc2c1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccc2OCCOc2c1
COc1ccc(-c2nc(C)c(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)s2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nc(C)c(s1)C(=O)N1CCN(CC1)C[*:1]
COc1ccc(-c2nc(C)c(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)s2)cc1OC Clc1ccc(cc1)C[*:1] COc1ccc(cc1OC)-c1nc(C)c(s1)C(=O)N1CCN(CC1)[*:1]
COc1ccc(-c2nc(C)c(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)s2)cc1OC COc1ccc(cc1OC)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)Cc1ccc(Cl)cc1)[*:1]
Cc1nc(-c2cccc(NC(=O)C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(-c2csc(Nc3ncccc3C)n2)cc1OC Cc1cccnc1[*:1] COc1ccc(cc1OC)-c1csc(n1)N[*:1]
CCOC(=O)Cc1nc(CSc2ccccc2Cl)no1 CCOC(=O)C[*:1] Clc1ccccc1SCc1noc(n1)[*:1]
CCOC(=O)Cc1nc(CSc2ccccc2Cl)no1 CCOC(=O)[*:1] Clc1ccccc1SCc1noc(C[*:1])n1
Cc1ccccc1C(=O)NCC(=O)N1CCN(Cc2ccon2)CC1 c1cc(no1)[*:1] Cc1ccccc1C(=O)NCC(=O)N1CCN(CC1)C[*:1]
Cc1ccccc1C(=O)NCC(=O)N1CCN(Cc2ccon2)CC1 Cc1ccccc1[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)Cc1ccon1
Cc1ccccc1C(=O)NCC(=O)N1CCN(Cc2ccon2)CC1 c1cc(C[*:1])no1 Cc1ccccc1C(=O)NCC(=O)N1CCN(CC1)[*:1]
COC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)C(C)C COC[*:1] CC(C)[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)[*:1]
COC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)C(C)C CC(C)[*:1] COC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)[*:1]
COc1ncccc1C(=O)NCC(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] COc1ncccc1C(=O)NCC(C)(C)[*:1]
O=C([C@@H]1CCCOC1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCOC1)N(C[C@@H](O)c1cccs1)C[*:1]
O=C([C@@H]1CCCOC1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 O[C@H](C[*:1])c1cccs1 O=C([C@@H]1CCCOC1)N(Cc1ccccc1)[*:1]
O=C([C@@H]1CCCOC1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 O[C@@H](c1cccs1)[*:1] O=C([C@@H]1CCCOC1)N(Cc1ccccc1)C[*:1]
O=C([C@@H]1CCCOC1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 c1ccc(cc1)C[*:1] O=C([C@@H]1CCCOC1)N(C[C@@H](O)c1cccs1)[*:1]
O=C([C@@H]1CCCOC1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 C1COC[C@@H](C1)[*:1] O=C(N(Cc1ccccc1)C[C@@H](O)c1cccs1)[*:1]
O=C([C@@H]1CCCOC1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 c1csc(c1)[*:1] O=C([C@@H]1CCCOC1)N(Cc1ccccc1)C[C@@H](O)[*:1]
CC(C)N(C(=O)[C@H](C)N1CCN(c2ccccc2O)CC1)C(C)C Oc1ccccc1[*:1] CC(C)N(C(=O)[C@H](C)N1CCN(CC1)[*:1])C(C)C
CC(C)N(C(=O)[C@H](C)N1CCN(c2ccccc2O)CC1)C(C)C CC(C)[*:1] CC(C)N(C(=O)[C@H](C)N1CCN(CC1)c1ccccc1O)[*:1]
O=C(CCc1nc(-c2cccnc2)no1)N1CCCCc2ccccc21 c1cncc(c1)[*:1] O=C(CCc1nc(no1)[*:1])N1CCCCc2ccccc21
CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccccc1Br Brc1ccccc1[*:1] CCN(Cc1nc(no1)-c1cccc(C)c1)C(=O)[*:1]
CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccccc1Br Cc1cccc(c1)[*:1] CCN(Cc1nc(no1)[*:1])C(=O)c1ccccc1Br
CCCc1csc(NC(C)=S)[n+]1C CCC[*:1] CC(=S)Nc1scc([n+]1C)[*:1]
CCCc1csc(NC(C)=S)[n+]1C CC(=S)N[*:1] CCCc1csc([n+]1C)[*:1]
CCN(C1CC1)[C@H](C[NH3+])c1ccc(Br)cc1F C1CC1[*:1] CCN([C@H](C[NH3+])c1ccc(Br)cc1F)[*:1]
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21 CC(C)[*:1] O=C(NC[C@H]1CCO[C@H]1[*:1])N(CCCO)[C@@H]1CCc2ccccc21
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21 OCC[*:1] CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C[*:1])[C@@H]1CCc2ccccc21
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21 OCCC[*:1] CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N([C@@H]1CCc2ccccc21)[*:1]
Cc1cnc(C(C)(C)NC(=O)c2ccc(N3CCCC3=O)cc2)s1 O=C1CCCN1[*:1] Cc1cnc(s1)C(C)(C)NC(=O)c1ccc(cc1)[*:1]
Cc1cnc(C(C)(C)NC(=O)c2ccc(N3CCCC3=O)cc2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
NC(=O)[C@@H]1CCCC2=c3cc(Cl)ccc3=[NH+][C@H]21 NC(=O)[*:1] Clc1ccc2=[NH+][C@@H]3C(CCC[C@H]3[*:1])=c2c1
CCCN[C@@H](c1cc(C)c(Br)s1)c1[nH+]ccn1C CCCN[*:1] Cc1cc(sc1Br)[C@@H](c1[nH+]ccn1C)[*:1]
CCCN[C@@H](c1cc(C)c(Br)s1)c1[nH+]ccn1C CCC[*:1] Cc1cc(sc1Br)[C@H](N[*:1])c1[nH+]ccn1C
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccnc(F)c1 FC(F)(F)[*:1] O=C(N[C@H](c1cccc(c1)[*:1])C1CC1)c1ccnc(F)c1
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccnc(F)c1 Fc1cc(ccn1)[*:1] O=C(N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccnc(F)c1 C1CC1[*:1] O=C(N[C@H](c1cccc(c1)C(F)(F)F)[*:1])c1ccnc(F)c1
CCCCC#C[C@@]1(O)c2ccccc2C(=O)N1c1ccccc1 CCCC[*:1] O=C1c2ccccc2[C@](O)(C#C[*:1])N1c1ccccc1
CCCCC#C[C@@]1(O)c2ccccc2C(=O)N1c1ccccc1 CCC[*:1] O=C1c2ccccc2[C@](O)(C#CC[*:1])N1c1ccccc1
CCCCC#C[C@@]1(O)c2ccccc2C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] CCCCC#C[C@@]1(O)c2ccccc2C(=O)N1[*:1]
Cc1cnc(CN[C@H](c2ccccn2)C2CCCC2)s1 c1ccc(nc1)[*:1] Cc1cnc(CN[C@H](C2CCCC2)[*:1])s1
Cc1cnc(CN[C@H](c2ccccn2)C2CCCC2)s1 C1CCC(C1)[*:1] Cc1cnc(CN[C@H](c2ccccn2)[*:1])s1
Cc1cnc(CN[C@H](c2ccccn2)C2CCCC2)s1 Cc1cnc(s1)[*:1] c1ccc(nc1)[C@@H](NC[*:1])C1CCCC1
C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1nccs1)c1ccc(F)cc1 c1csc(n1)[*:1] C[C@H](NC(=O)[C@H](C)S(=O)(=O)[*:1])c1ccc(F)cc1
C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1nccs1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@@H](C)[*:1])S(=O)(=O)c1nccs1
CCc1noc(CN(C)C(=O)NCCc2c[nH]c3cc(C)ccc23)n1 CCc1noc(n1)[*:1] Cc1ccc2c(c[nH]c2c1)CCNC(=O)N(C)C[*:1]
CCc1noc(CN(C)C(=O)NCCc2c[nH]c3cc(C)ccc23)n1 CCc1noc(C[*:1])n1 Cc1ccc2c(c[nH]c2c1)CCNC(=O)N(C)[*:1]
CNC(=O)c1ccc(CN[C@@H]2CC[NH2+]C2)cc1 CNC(=O)[*:1] c1cc(ccc1CN[C@@H]1CC[NH2+]C1)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 CN(C)c1ccc(cn1)[*:1] CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C(=O)N[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc(nc1)N(C)C
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 Fc1ccc(cc1)C[*:1] CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(nc1)N(C)C)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 CN(C)[*:1] CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C(=O)Nc1ccc(nc1)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 CC(C)[*:1] CN(C)c1ccc(cn1)NC(=O)C(=O)N[C@H](Cc1ccc(F)cc1)[*:1]
CCOC(=O)c1cnc(SCc2ccc(C)cc2)nc1N CCOC(=O)[*:1] Cc1ccc(cc1)CSc1ncc(c(N)n1)[*:1]
CCOC(=O)c1cnc(SCc2ccc(C)cc2)nc1N Cc1ccc(cc1)[*:1] CCOC(=O)c1cnc(nc1N)SC[*:1]
C[C@H](CCCO)NC(=O)[C@H]1CNCc2ccccc21 C[C@H](CCCO)[*:1] O=C(N[*:1])[C@H]1CNCc2ccccc21
C[C@H](CCCO)NC(=O)[C@H]1CNCc2ccccc21 OCC[*:1] C[C@H](C[*:1])NC(=O)[C@H]1CNCc2ccccc21
C[C@H](CCCO)NC(=O)[C@H]1CNCc2ccccc21 OCCC[*:1] C[C@H](NC(=O)[C@H]1CNCc2ccccc21)[*:1]
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc3n(Cc4ccccc4Cl)c(cn23)[*:1])n(C)c1=O
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccc2Cl)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1[*:1]
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1C[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2coc3ccccc3c2=O)cc1OC O=c1c(coc2ccccc12)[*:1] COc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2coc3ccccc3c2=O)cc1OC COc1ccc(cc1OC)[*:1] O=C1C[C@@H](CC2Nc3ccccc3N[C@@H](C=21)c1coc2ccccc2c1=O)[*:1]
COC(=O)c1cncc(NCCS(N)(=O)=O)n1 NS(=O)(=O)[*:1] COC(=O)c1cncc(n1)NCC[*:1]
COC(=O)c1cncc(NCCS(N)(=O)=O)n1 NS(=O)(=O)C[*:1] COC(=O)c1cncc(n1)NC[*:1]
COC(=O)c1cncc(NCCS(N)(=O)=O)n1 COC(=O)[*:1] NS(=O)(=O)CCNc1cncc(n1)[*:1]
CCOC(=O)N(C)c1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 CCOC(=O)N(C)[*:1] O=C(Nc1ccc(cc1)[*:1])NC1CC[NH+](CC1)C1CC1
CCC[NH2+]CC/C=C/[C@H]1CCc2cccnc21 CCC[*:1] C(=C/[C@H]1CCc2cccnc21)\CC[NH2+][*:1]
CCOc1cccc(C(=N)NC(=O)c2cnn(C(C)(C)C)c2)c1 CCO[*:1] CC(C)(C)n1cc(cn1)C(=O)NC(=N)c1cccc(c1)[*:1]
CCOc1cccc(C(=N)NC(=O)c2cnn(C(C)(C)C)c2)c1 CC(C)(C)[*:1] CCOc1cccc(c1)C(=N)NC(=O)c1cnn(c1)[*:1]
O=C([O-])c1cccc(Nc2cc[nH+]c3ccc(Cl)cc23)c1 O=C([O-])[*:1] Clc1ccc2[nH+]ccc(Nc3cccc(c3)[*:1])c2c1
CCc1nnc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)s1 NC(=O)[*:1] CCc1nnc([N-]S(=O)(=O)c2ccc(cc2)[*:1])s1
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCSc3ccccc32)CC1 COC(=O)c1ccccc1[*:1] O=C(N[C@H]1CCSc2ccccc21)C1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCSc3ccccc32)CC1 COC(=O)[*:1] O=C(N[C@H]1CCSc2ccccc21)C1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
CNC(=O)c1c(C)cccc1NC(=O)Cc1cccc(OCC#N)c1 N#CCO[*:1] CNC(=O)c1c(C)cccc1NC(=O)Cc1cccc(c1)[*:1]
CNC(=O)c1c(C)cccc1NC(=O)Cc1cccc(OCC#N)c1 N#CC[*:1] CNC(=O)c1c(C)cccc1NC(=O)Cc1cccc(c1)O[*:1]
CNC(=O)c1c(C)cccc1NC(=O)Cc1cccc(OCC#N)c1 CNC(=O)[*:1] Cc1cccc(NC(=O)Cc2cccc(c2)OCC#N)c1[*:1]
COCCn1nc(C)c(NC(=O)NCc2cc(C(C)C)no2)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)NCc1cc(no1)C(C)C
COCCn1nc(C)c(NC(=O)NCc2cc(C(C)C)no2)c1C CC(C)c1cc(on1)[*:1] COCCn1nc(C)c(NC(=O)NC[*:1])c1C
COCCn1nc(C)c(NC(=O)NCc2cc(C(C)C)no2)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)NCc1cc(no1)C(C)C)[*:1]
COCCn1nc(C)c(NC(=O)NCc2cc(C(C)C)no2)c1C CC(C)[*:1] COCCn1nc(C)c(NC(=O)NCc2cc(no2)[*:1])c1C
C[NH2+]Cc1nc(C)ccc1OCC(C)(C)O CC(C)(O)[*:1] C[NH2+]Cc1nc(C)ccc1OC[*:1]
C[NH2+]Cc1nc(C)ccc1OCC(C)(C)O CC(C)(O)C[*:1] C[NH2+]Cc1nc(C)ccc1O[*:1]
O=C(Nc1nc2ccc(Cl)cn2n1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(Nc1nc2ccc(Cl)cn2n1)c1nc(n2ccccc12)[*:1]
CC[C@@H](C)NC(=O)[C@H](Sc1cccc[n+]1[O-])C(C)C CC[C@@H](C)[*:1] CC(C)[C@@H](Sc1cccc[n+]1[O-])C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@H](Sc1cccc[n+]1[O-])C(C)C CC(C)[*:1] CC[C@@H](C)NC(=O)[C@H](Sc1cccc[n+]1[O-])[*:1]
COc1cccc(C(=O)NC(=S)Nc2ccccc2O)c1 Oc1ccccc1[*:1] COc1cccc(c1)C(=O)NC(=S)N[*:1]
O=C1C[C@@H]([NH2+][C@@H]2C[C@H](c3ccccc3)Oc3ccccc32)CN1C1CC1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1C1CC1)[NH2+][C@@H]1C[C@H](Oc2ccccc21)[*:1]
O=C1C[C@@H]([NH2+][C@@H]2C[C@H](c3ccccc3)Oc3ccccc32)CN1C1CC1 C1CC1[*:1] O=C1C[C@H](CN1[*:1])[NH2+][C@@H]1C[C@@H](Oc2ccccc21)c1ccccc1
CN(CC1CCOCC1)[C@@]1(C[NH3+])CC(C)(C)OC1(C)C C1CC(CCO1)[*:1] CN(C[*:1])[C@@]1(C[NH3+])CC(C)(C)OC1(C)C
CN1C(=O)[C@@H](/C=N/CC[NH+]2CCOCC2)C(=O)N(c2ccccc2)C1=S c1ccc(cc1)[*:1] CN1C(=O)[C@@H](/C=N/CC[NH+]2CCOCC2)C(=O)N(C1=S)[*:1]
C[C@]1(CO)CCC[C@@H]1Nc1ccc(C(N)=O)nn1 NC(=O)[*:1] C[C@]1(CO)CCC[C@@H]1Nc1ccc(nn1)[*:1]
COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1C O=C([O-])[*:1] COc1ccc(cc1C)S(=O)(=O)N1CCCC[C@H]1[*:1]
O=C(Nc1n[nH]c(-c2ccco2)n1)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1C[*:1] O=C(Nc1n[nH]c(n1)-c1ccco1)c1ccc(o1)[*:1]
O=C(Nc1n[nH]c(-c2ccco2)n1)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1[*:1] O=C(Nc1n[nH]c(n1)-c1ccco1)c1ccc(C[*:1])o1
O=C(Nc1n[nH]c(-c2ccco2)n1)c1ccc(Cn2ccccc2=O)o1 c1coc(c1)[*:1] O=C(Nc1n[nH]c(n1)[*:1])c1ccc(Cn2ccccc2=O)o1
Cc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1[N+](=O)[O-] Fc1cccc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)C=C[*:1]
Cc1ccc(C(=O)/C=C/c2cccc(F)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)/C=C/c1cccc(F)c1
COCCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@]2=O Cc1ccc(C)c(c1)[*:1] COCCCNC(=O)c1ccc2c(c1)N(C[*:1])C(=O)c1ccccc1[S@]2=O
COCCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@]2=O COCCC[*:1] Cc1ccc(C)c(c1)CN1C(=O)c2ccccc2[S@@](=O)c2ccc(cc21)C(=O)N[*:1]
COCCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@]2=O COCC[*:1] Cc1ccc(C)c(c1)CN1C(=O)c2ccccc2[S@@](=O)c2ccc(cc21)C(=O)NC[*:1]
COCCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@]2=O COC[*:1] Cc1ccc(C)c(c1)CN1C(=O)c2ccccc2[S@@](=O)c2ccc(cc21)C(=O)NCC[*:1]
COCCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@]2=O Cc1ccc(C)c(c1)C[*:1] COCCCNC(=O)c1ccc2c(c1)N(C(=O)c1ccccc1[S@]2=O)[*:1]
COCCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@]2=O COCCCNC(=O)[*:1] Cc1ccc(C)c(c1)CN1C(=O)c2ccccc2[S@@](=O)c2ccc(cc21)[*:1]
CCC[NH2+][C@H](C)c1ccccc1OCc1ccco1 c1coc(c1)[*:1] CCC[NH2+][C@H](C)c1ccccc1OC[*:1]
CCC[NH2+][C@H](C)c1ccccc1OCc1ccco1 CCC[*:1] C[C@@H]([NH2+][*:1])c1ccccc1OCc1ccco1
CCC[NH2+][C@H](C)c1ccccc1OCc1ccco1 c1coc(c1)C[*:1] CCC[NH2+][C@H](C)c1ccccc1O[*:1]
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC5(C4)OCCO5)C3=CC[C@@]21C CC#C[*:1] C[C@]12CC=C3C4CCC5(CC=4CC[C@H]3[C@@H]1CC[C@]2(O)[*:1])OCCO5
CN1CC[C@@H](NC(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1=O CN1CC[C@@H](C1=O)[*:1] O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)N[*:1]
C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](c2ccccc2)O1 N#CCC[*:1] C[C@@H]1CN(CC(=O)c2cn(c3ccccc23)[*:1])C[C@@H](O1)c1ccccc1
C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](O1)[*:1]
C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](c2ccccc2)O1 N#CC[*:1] C[C@@H]1CN(CC(=O)c2cn(C[*:1])c3ccccc23)C[C@@H](O1)c1ccccc1
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NC1=NS(=O)(=O)c2ccccc21)[*:1]
CS[C@@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)C[*:1] CS[C@@H]1CCC[C@@H]1NC(=O)N1CCN(CC1)C(=O)C[*:1]
CS[C@@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)[*:1] CS[C@@H]1CCC[C@@H]1NC(=O)N1CCN(CC1)C(=O)CC[*:1]
CS[C@@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)CCC2CCCC2)CC1 C1CCC(C1)CC[*:1] CS[C@@H]1CCC[C@@H]1NC(=O)N1CCN(CC1)C(=O)[*:1]
O=C1NCCN(C(=O)C[C@H]2C=CCC2)[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C1NCCN(C(=O)C[C@H]2C=CCC2)[C@H]1[*:1]
C[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)nc1 Clc1ccccc1[*:1] C[C@H](NC(=O)[*:1])C(=O)N(C)Cc1ccc(Cl)nc1
C[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] C[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)C[*:1]
C[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)nc1 Clc1ccc(cn1)C[*:1] C[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)[*:1]
COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)on1 c1cc(ccn1)[*:1] COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(ncc2[*:1])N(C)C)on1
COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)on1 COc1cc(on1)[*:1] CN(C)c1ncc(-c2ccncc2)c(n1)[C@H]1CCCN1C(=O)CC[*:1]
COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)on1 COc1cc(CC[*:1])on1 CN(C)c1ncc(-c2ccncc2)c(n1)[C@H]1CCCN1C(=O)[*:1]
COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)on1 CN(C)[*:1] COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(ncc2-c2ccncc2)[*:1])on1
COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)on1 COc1cc(C[*:1])on1 CN(C)c1ncc(-c2ccncc2)c(n1)[C@H]1CCCN1C(=O)C[*:1]
Cc1cc2cc(C[NH+](CCO)CC3CC3)oc2cc1C C1CC1C[*:1] Cc1cc2cc(C[NH+](CCO)[*:1])oc2cc1C
Cc1cc2cc(C[NH+](CCO)CC3CC3)oc2cc1C OCC[*:1] Cc1cc2cc(C[NH+](CC3CC3)[*:1])oc2cc1C
Cc1cc2cc(C[NH+](CCO)CC3CC3)oc2cc1C C1CC1[*:1] Cc1cc2cc(C[NH+](CCO)C[*:1])oc2cc1C
COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1cc(/C=N/NC(N)=O)ccc1OC(=O)[*:1]
COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(Cl)cc1 NC(=O)NN=C[*:1] COc1cc(ccc1OC(=O)c1ccc(Cl)cc1)[*:1]
CNC(=O)CC1CCN(C(=O)c2ccc(OC(C)C)nc2)CC1 CNC(=O)C[*:1] CC(C)Oc1ccc(cn1)C(=O)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)c2ccc(OC(C)C)nc2)CC1 CC(C)O[*:1] CNC(=O)CC1CCN(CC1)C(=O)c1ccc(nc1)[*:1]
CNC(=O)CC1CCN(C(=O)c2ccc(OC(C)C)nc2)CC1 CC(C)[*:1] CNC(=O)CC1CCN(CC1)C(=O)c1ccc(nc1)O[*:1]
CNC(=O)CC1CCN(C(=O)c2ccc(OC(C)C)nc2)CC1 CNC(=O)[*:1] CC(C)Oc1ccc(cn1)C(=O)N1CCC(CC1)C[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCCc1ncnn1C Cn1ncnc1C[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NC[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCCc1ncnn1C Cn1ncnc1[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCC[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCCc1ncnn1C CC[S@@](=O)[*:1] Cn1ncnc1CCNC(=O)N[C@H]1CCCC[C@@H]1[*:1]
CCOc1ccc(Cl)c(C(=O)Nc2cncc3ccccc23)n1 CCO[*:1] O=C(Nc1cncc2ccccc12)c1nc(ccc1Cl)[*:1]
N#Cc1ccc(Cl)c(NC(=O)NC2(c3ccccc3F)CC2)c1 Fc1ccccc1[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NC1(CC1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1 CC(=O)N[*:1] O=S(=O)(NCc1cccnc1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1 c1cncc(c1)C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1 c1cncc(c1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NC[*:1]
CCCCCc1nnc(NC(=O)[C@H](C)[C@H]2Sc3ccccc3NC2=O)s1 CCCCC[*:1] C[C@@H](C(=O)Nc1nnc(s1)[*:1])[C@H]1Sc2ccccc2NC1=O
CCCCCc1nnc(NC(=O)[C@H](C)[C@H]2Sc3ccccc3NC2=O)s1 CCCC[*:1] C[C@@H](C(=O)Nc1nnc(C[*:1])s1)[C@H]1Sc2ccccc2NC1=O
CCCCCc1nnc(NC(=O)[C@H](C)[C@H]2Sc3ccccc3NC2=O)s1 CCC[*:1] C[C@@H](C(=O)Nc1nnc(CC[*:1])s1)[C@H]1Sc2ccccc2NC1=O
O=C(CCSc1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 Clc1ccc(cc1)[*:1] O=C(CCS[*:1])NCCc1c[nH]c2ccccc12
O=C(CCSc1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 Clc1ccc(cc1)S[*:1] O=C(CC[*:1])NCCc1c[nH]c2ccccc12
CC1CCC([NH+](C)Cc2ncn(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] CC1CCC(CC1)[NH+](C)Cc1ncn(n1)[*:1]
CC1CCC([NH+](C)Cc2ncn(-c3ccccc3)n2)CC1 CC1CCC(CC1)[*:1] C[NH+](Cc1ncn(n1)-c1ccccc1)[*:1]
N#CCc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])cc1 N#CC[*:1] [NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2C[C@H]2C)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)N[C@H]1C[C@H]1C)[*:1]
CCOC(=O)[C@H](C)CNC(=O)Nc1cc(F)cc(Br)c1 CCOC(=O)[*:1] C[C@H](CNC(=O)Nc1cc(F)cc(Br)c1)[*:1]
O=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 c1ccc(cc1)[*:1] O=S(=O)(Cc1ccccc1)Nc1ccc2CCN(Cc2c1)S(=O)(=O)[*:1]
O=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 c1ccc(cc1)C[*:1] O=S(=O)(c1ccccc1)N1CCc2ccc(cc2C1)NS(=O)(=O)[*:1]
O=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])Nc1ccc2CCN(Cc2c1)S(=O)(=O)c1ccccc1
CC[C@@H]1CCCN(C(=O)c2csc(/C=C/C(=O)[O-])c2)C1 O=C([O-])[*:1] CC[C@@H]1CCCN(C1)C(=O)c1csc(C=C[*:1])c1
CC[C@@H]1CCCN(C(=O)c2csc(/C=C/C(=O)[O-])c2)C1 O=C([O-])C=C[*:1] CC[C@@H]1CCCN(C1)C(=O)c1csc(c1)[*:1]
O=c1[nH]c(COCC(F)(F)F)nc2scc(-c3ccco3)c12 FC(F)(F)CO[*:1] O=c1[nH]c(C[*:1])nc2scc(-c3ccco3)c12
O=c1[nH]c(COCC(F)(F)F)nc2scc(-c3ccco3)c12 FC(F)(F)[*:1] O=c1[nH]c(COC[*:1])nc2scc(-c3ccco3)c12
O=c1[nH]c(COCC(F)(F)F)nc2scc(-c3ccco3)c12 c1coc(c1)[*:1] O=c1[nH]c(COCC(F)(F)F)nc2scc(c12)[*:1]
O=c1[nH]c(COCC(F)(F)F)nc2scc(-c3ccco3)c12 FC(F)(F)COC[*:1] O=c1[nH]c(nc2scc(-c3ccco3)c12)[*:1]
O=c1[nH]c(COCC(F)(F)F)nc2scc(-c3ccco3)c12 FC(F)(F)C[*:1] O=c1[nH]c(CO[*:1])nc2scc(-c3ccco3)c12
Cc1noc(C)c1CS(=O)(=O)CC1CCCC1 C1CCC(C1)[*:1] Cc1noc(C)c1CS(=O)(=O)C[*:1]
COc1ccccc1C(=O)NCc1nc(C)no1 Cc1noc(n1)[*:1] COc1ccccc1C(=O)NC[*:1]
C[C@@H](NC(=O)Cn1nnc(-c2ccsc2)n1)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)Cn1nnc(n1)-c1ccsc1)[*:1]
C[C@@H](NC(=O)Cn1nnc(-c2ccsc2)n1)c1ccco1 c1cc(cs1)[*:1] C[C@@H](NC(=O)Cn1nnc(n1)[*:1])c1ccco1
C[C@@H](NC(=O)Cn1nnc(-c2ccsc2)n1)c1ccco1 C[C@@H](c1ccco1)[*:1] O=C(Cn1nnc(n1)-c1ccsc1)N[*:1]
COc1cccc(CNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)c1 COc1cccc(c1)[*:1] Cn1c2ccccc2c2cnn(CC(=O)NC[*:1])c(=O)c21
COc1cccc(CNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)c1 COc1cccc(c1)C[*:1] Cn1c2ccccc2c2cnn(CC(=O)N[*:1])c(=O)c21
CCN(C[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 Cc1nnc(o1)[*:1] CCN(C[C@@H]1CCOC1)C(=O)Nc1ccc(cc1)[*:1]
O=C(CCn1cc([N+](=O)[O-])ccc1=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCn1cc(ccc1=O)[N+](=O)[O-])N[*:1]
O=C(CCn1cc([N+](=O)[O-])ccc1=O)NC1CCCCC1 O=[N+]([O-])[*:1] O=C(CCn1cc(ccc1=O)[*:1])NC1CCCCC1
Cc1c(NC(=O)c2ccco2)cccc1C(=O)N1CCc2sccc2C1 O=C(N[*:1])c1ccco1 Cc1c(cccc1[*:1])C(=O)N1CCc2sccc2C1
Cc1c(NC(=O)c2ccco2)cccc1C(=O)N1CCc2sccc2C1 c1coc(c1)[*:1] Cc1c(cccc1C(=O)N1CCc2sccc2C1)NC(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2c(C)[nH+]c3ccccc3c2C)cc1 CCN(CC)S(=O)(=O)[*:1] Cc1[nH+]c2ccccc2c(C)c1CC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc(Br)c2)c2cccs2)cc1 Brc1cccc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)[C@H](CNC(=O)[*:1])c1cccs1
COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc(Br)c2)c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)[C@H](CNC(=O)c1cccc(Br)c1)[*:1]
COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc(Br)c2)c2cccs2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H](c1cccs1)S(=O)(=O)[*:1])c1cccc(Br)c1
C[C@@H](c1ccccn1)N(C)C(=O)c1coc(COc2cccc(F)c2)n1 Fc1cccc(c1)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)c1coc(CO[*:1])n1
C[C@@H](c1ccccn1)N(C)C(=O)c1coc(COc2cccc(F)c2)n1 Fc1cccc(c1)O[*:1] C[C@@H](c1ccccn1)N(C)C(=O)c1coc(C[*:1])n1
C[C@@H](c1ccccn1)N(C)C(=O)c1coc(COc2cccc(F)c2)n1 c1ccc(nc1)[*:1] C[C@@H](N(C)C(=O)c1coc(COc2cccc(F)c2)n1)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)C[C@H]1OC(=O)c2ccccc21 CC[C@H](C)C[C@@H](C)[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)N[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)C[C@H]1OC(=O)c2ccccc21 CC[C@H](C)C[*:1] C[C@@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)C[C@H]1OC(=O)c2ccccc21 CC[C@H](C)[*:1] C[C@H](C[*:1])NC(=O)C[C@H]1OC(=O)c2ccccc21
Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3CC(=O)c3cccs3)nc2n(C)c1=O O=C(C[*:1])c1cccs1 Cn1c(=O)c2ccc(nc2n(C)c1=O)C(=O)N1CCC[C@H]1[*:1]
Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3CC(=O)c3cccs3)nc2n(C)c1=O O=C(c1cccs1)[*:1] Cn1c(=O)c2ccc(nc2n(C)c1=O)C(=O)N1CCC[C@@H]1C[*:1]
Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3CC(=O)c3cccs3)nc2n(C)c1=O c1csc(c1)[*:1] Cn1c(=O)c2ccc(nc2n(C)c1=O)C(=O)N1CCC[C@@H]1CC(=O)[*:1]
Cc1cc(F)ccc1OC(=O)c1scnc1C1CC1 C1CC1[*:1] Cc1cc(F)ccc1OC(=O)c1scnc1[*:1]
COc1c2c(c(NC(=O)c3ccc(F)cc3)c3c1OCO3)CCN(C)C2 Fc1ccc(cc1)[*:1] COc1c2CN(C)CCc2c(NC(=O)[*:1])c2OCOc12
CN(C)c1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N CN(C)[*:1] Nc1c(ncnc1[*:1])Nc1cc(Cl)cc(Cl)c1
O=C(c1ccc[nH]1)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 c1c[nH]c(c1)[*:1] O=C(N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1)[*:1]
CCN(C(=O)CCc1nc(CSC)no1)c1ccc(C#N)c(Cl)c1 CSC[*:1] CCN(C(=O)CCc1nc(no1)[*:1])c1ccc(C#N)c(Cl)c1
CCN(C(=O)CCc1nc(CSC)no1)c1ccc(C#N)c(Cl)c1 CSCc1noc(n1)[*:1] CCN(C(=O)CC[*:1])c1ccc(C#N)c(Cl)c1
CC(C)OC(=O)[C@@H]1[C@H](C)C[C@]2(C)C[C@H]1C(=O)O2 CC(C)[*:1] C[C@@H]1C[C@]2(C)C[C@@H](C(=O)O2)[C@@H]1C(=O)O[*:1]
CCc1[nH]nc(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1[nH]nc(C(=O)NC[C@H]2CCCN(C2)c2ncccn2)c1[*:1]
CCc1[nH]nc(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1[N+](=O)[O-] c1cnc(nc1)[*:1] CCc1[nH]nc(C(=O)NC[C@H]2CCCN(C2)[*:1])c1[N+](=O)[O-]
O=S(=O)(/N=c1/[nH]c(C2CC2)cs1)c1cnc(Cl)c(Cl)c1 C1CC1[*:1] O=S(=O)(/N=c1/[nH]c(cs1)[*:1])c1cnc(Cl)c(Cl)c1
CCOC(=O)c1cccc(C(=O)c2cccnc2Cl)c1 CCOC(=O)[*:1] O=C(c1cccc(c1)[*:1])c1cccnc1Cl
O=C([O-])CC1(Nc2nc(C3CC3)ns2)CCC1 C1CC1[*:1] O=C([O-])CC1(CCC1)Nc1nc(ns1)[*:1]
O=C([O-])CC1(Nc2nc(C3CC3)ns2)CCC1 O=C([O-])[*:1] C1CC(C1)(C[*:1])Nc1nc(ns1)C1CC1
O=C([O-])CC1(Nc2nc(C3CC3)ns2)CCC1 O=C([O-])C[*:1] C1CC(C1)(Nc1nc(ns1)C1CC1)[*:1]
CC(C)Oc1ccc(CNC(=O)[C@@H]2CCC(=O)N2)cc1 CC(C)[*:1] O=C1CC[C@H](N1)C(=O)NCc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(CNC(=O)[C@@H]2CCC(=O)N2)cc1 CC(C)O[*:1] O=C1CC[C@H](N1)C(=O)NCc1ccc(cc1)[*:1]
CN(C)C(=O)[C@H]1CC[C@H](CNc2ccc(C#N)cc2C(F)(F)F)O1 FC(F)(F)[*:1] CN(C)C(=O)[C@H]1CC[C@H](CNc2ccc(C#N)cc2[*:1])O1
CN(C)C(=O)[C@H]1CC[C@H](CNc2ccc(C#N)cc2C(F)(F)F)O1 CN(C)C(=O)[*:1] N#Cc1ccc(NC[C@H]2CC[C@@H](O2)[*:1])c(c1)C(F)(F)F
CCC[C@H](C)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] O=[N+]([O-])[*:1] CCC[C@H](C)CC(=O)N1CCc2c1cccc2[*:1]
CCC[C@H](C)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] CCC[*:1] C[C@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])[*:1]
CCC[C@H](C)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] CCC[C@H](C)C[*:1] O=C(N1CCc2c1cccc2[N+](=O)[O-])[*:1]
CCC[C@H](C)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] CCC[C@H](C)[*:1] O=C(C[*:1])N1CCc2c1cccc2[N+](=O)[O-]
COC(=O)c1ccc(CNc2cc(C#N)cc(F)c2C)[nH]1 COC(=O)[*:1] Cc1c(F)cc(C#N)cc1NCc1ccc([nH]1)[*:1]
O=C(C1CCCCC1)N1CCC(N2CCS(=O)(=O)CC2)CC1 C1CCC(CC1)[*:1] O=C(N1CCC(CC1)N1CCS(=O)(=O)CC1)[*:1]
Cc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)sc2nc(C(F)(F)F)ccc12 FC(F)(F)[*:1] Cc1c(sc2nc(ccc12)[*:1])C(=O)NCc1ccc(cc1)[N+](=O)[O-]
Cc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)sc2nc(C(F)(F)F)ccc12 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1c(sc2nc(ccc12)C(F)(F)F)C(=O)NC[*:1]
Cc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)sc2nc(C(F)(F)F)ccc12 O=[N+]([O-])[*:1] Cc1c(sc2nc(ccc12)C(F)(F)F)C(=O)NCc1ccc(cc1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1CN1C(=O)N[C@@](C)(C1=O)c1ccc2OCCCOc2c1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O c1cc2OCCCOc2cc1[*:1] Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCC(c1ccccc1)c1ccccc1 NS(=O)(=O)[*:1] Cc1oc(C)c(c1C(=O)NCCC(c1ccccc1)c1ccccc1)[*:1]
Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1oc(C)c(c1C(=O)NCCC(c1ccccc1)[*:1])S(N)(=O)=O
CC(C)(C)c1ccc(NC(=O)CN2CCOCC2)c(NC(=O)c2cccs2)c1 C1CN(CCO1)C[*:1] CC(C)(C)c1ccc(NC(=O)[*:1])c(c1)NC(=O)c1cccs1
CC(C)(C)c1ccc(NC(=O)CN2CCOCC2)c(NC(=O)c2cccs2)c1 C1CN(CCO1)[*:1] CC(C)(C)c1ccc(NC(=O)C[*:1])c(c1)NC(=O)c1cccs1
CC(C)(C)c1ccc(NC(=O)CN2CCOCC2)c(NC(=O)c2cccs2)c1 CC(C)(C)[*:1] O=C(CN1CCOCC1)Nc1ccc(cc1NC(=O)c1cccs1)[*:1]
CC(C)(C)c1ccc(NC(=O)CN2CCOCC2)c(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] CC(C)(C)c1ccc(NC(=O)CN2CCOCC2)c(c1)NC(=O)[*:1]
CC(C)(C)c1ccc(NC(=O)CN2CCOCC2)c(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 CC(C)(C)c1ccc(NC(=O)CN2CCOCC2)c(c1)[*:1]
CCOc1ccc(Oc2cc(CNC(=O)[C@H]3CCO[C@@H]3C)ccn2)cc1 CCO[*:1] C[C@H]1OCC[C@@H]1C(=O)NCc1ccnc(c1)Oc1ccc(cc1)[*:1]
Cc1cc(CNC(=O)c2ccc(CCC(C)(C)O)cc2)n[nH]1 Cc1cc(n[nH]1)[*:1] CC(C)(O)CCc1ccc(cc1)C(=O)NC[*:1]
Cc1cc(CNC(=O)c2ccc(CCC(C)(C)O)cc2)n[nH]1 CC(C)(O)CC[*:1] Cc1cc(CNC(=O)c2ccc(cc2)[*:1])n[nH]1
Cc1cc(CNC(=O)c2ccc(CCC(C)(C)O)cc2)n[nH]1 CC(C)(O)C[*:1] Cc1cc(CNC(=O)c2ccc(cc2)C[*:1])n[nH]1
Cc1cc(CNC(=O)c2ccc(CCC(C)(C)O)cc2)n[nH]1 Cc1cc(C[*:1])n[nH]1 CC(C)(O)CCc1ccc(cc1)C(=O)N[*:1]
Cc1cc(CNC(=O)c2ccc(CCC(C)(C)O)cc2)n[nH]1 CC(C)(O)[*:1] Cc1cc(CNC(=O)c2ccc(cc2)CC[*:1])n[nH]1
CCC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cc12 CCC(=O)O[*:1] Cc1ncc(C[*:1])c2cc(-c3nc(no3)-c3ccc(Cl)cc3)c(=O)oc12
CCC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cc12 CCC(=O)OC[*:1] Cc1ncc(c2cc(-c3nc(no3)-c3ccc(Cl)cc3)c(=O)oc12)[*:1]
CCC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cc12 Clc1ccc(cc1)[*:1] CCC(=O)OCc1cnc(C)c2oc(=O)c(cc12)-c1nc(no1)[*:1]
COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cc(C)ccc2C)c1 COc1cccc(c1)[*:1] Cc1ccc(C)c(c1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)[*:1]
COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cc(C)ccc2C)c1 Cc1ccc(C)c(c1)[*:1] COc1cccc(c1)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)[*:1]
Clc1cccc2c1OCC[C@@H]2NCc1nncn1C1CC1 C1CC1[*:1] Clc1cccc2c1OCC[C@@H]2NCc1nncn1[*:1]
CC(C)c1nc(CCNC(=O)N[C@@H](C)c2ccc(Cl)s2)cs1 CC(C)[*:1] C[C@H](NC(=O)NCCc1csc(n1)[*:1])c1ccc(Cl)s1
CC(C)c1nc(CCNC(=O)N[C@@H](C)c2ccc(Cl)s2)cs1 Clc1ccc(s1)[*:1] CC(C)c1nc(cs1)CCNC(=O)N[C@@H](C)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)C[C@H](C)c2ccc(F)cc2F)C1 COC(=O)C(C)(C)[*:1] C[C@@H](CC(=O)N1CCC[C@@H](C1)[*:1])c1ccc(F)cc1F
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)C[C@H](C)c2ccc(F)cc2F)C1 COC(=O)[*:1] C[C@@H](CC(=O)N1CCC[C@@H](C1)C(C)(C)[*:1])c1ccc(F)cc1F
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)C[C@H](C)c2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)C[C@H](C)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2cncc(Br)c2)C1 COC(=O)[*:1] O=C(c1cncc(Br)c1)N1CC[C@@](F)(C1)[*:1]
O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] O=C(Nc1ccc(cc1)N1CCCS1(=O)=O)[*:1]
O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1c(F)cccc1Cl O=S1(=O)CCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])c1c(F)cccc1Cl
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(O)cc2)CC1 Clc1ccccc1[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(O)cc1
O=C(Nc1ccccc1Cl)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(Nc1ccccc1Cl)N1CCN(CC1)[*:1]
CC(C)[C@H](C)NC(=O)N(C)CCOc1ccccc1F CC(C)[*:1] C[C@H](NC(=O)N(C)CCOc1ccccc1F)[*:1]
CC(C)[C@H](C)NC(=O)N(C)CCOc1ccccc1F CC(C)[C@H](C)[*:1] CN(CCOc1ccccc1F)C(=O)N[*:1]
N#Cc1cccc(NC(=O)CCN2CCN(C(=O)c3ccoc3)CC2)c1 c1cc(co1)[*:1] N#Cc1cccc(c1)NC(=O)CCN1CCN(CC1)C(=O)[*:1]
N#Cc1cccc(NC(=O)CCN2CCN(C(=O)c3ccoc3)CC2)c1 N#Cc1cccc(c1)[*:1] O=C(CCN1CCN(CC1)C(=O)c1ccoc1)N[*:1]
CCSc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)ccn1 CCS[*:1] O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccnc(c1)[*:1]
CCSc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)ccn1 c1csc(n1)[*:1] CCSc1cc(ccn1)C(=O)N1CCC[C@H]1C(=O)N[*:1]
CCSc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)ccn1 O=C(Nc1nccs1)[*:1] CCSc1cc(ccn1)C(=O)N1CCC[C@@H]1[*:1]
CCn1c(-c2ccccc2C)nnc1S(=O)(=O)Cc1nc(C)no1 Cc1noc(n1)[*:1] CCn1c(nnc1S(=O)(=O)C[*:1])-c1ccccc1C
CCn1c(-c2ccccc2C)nnc1S(=O)(=O)Cc1nc(C)no1 Cc1ccccc1[*:1] CCn1c(nnc1[*:1])S(=O)(=O)Cc1nc(C)no1
CCn1c(-c2ccccc2C)nnc1S(=O)(=O)Cc1nc(C)no1 Cc1noc(C[*:1])n1 CCn1c(nnc1S(=O)(=O)[*:1])-c1ccccc1C
CCC[NH2+][C@H](CCc1ccccc1)c1cscc1Br Brc1cscc1[*:1] CCC[NH2+][C@H](CCc1ccccc1)[*:1]
CCC[NH2+][C@H](CCc1ccccc1)c1cscc1Br CCC[*:1] Brc1cscc1[C@@H](CCc1ccccc1)[NH2+][*:1]
CCC[NH2+][C@H](CCc1ccccc1)c1cscc1Br c1ccc(cc1)[*:1] CCC[NH2+][C@H](CC[*:1])c1cscc1Br
COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)c(OC)c1 c1coc(c1)C[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(O)=Nc2c1cnn2[*:1]
COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)c(OC)c1 c1coc(c1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(O)=Nc2c1cnn2C[*:1]
COc1cccc([C@@H](CO)NC(=O)c2cc3c(F)cccc3[nH]2)c1 COc1cccc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1cc2c(F)cccc2[nH]1
COc1ccc(N2C[C@@H](NC(=O)NCCNC(C)=O)CC2=O)cc1OC CC(=O)NC[*:1] COc1ccc(cc1OC)N1C[C@H](CC1=O)NC(=O)NC[*:1]
COc1ccc(N2C[C@@H](NC(=O)NCCNC(C)=O)CC2=O)cc1OC CC(=O)NCC[*:1] COc1ccc(cc1OC)N1C[C@H](CC1=O)NC(=O)N[*:1]
COc1ccc(N2C[C@@H](NC(=O)NCCNC(C)=O)CC2=O)cc1OC CC(=O)N[*:1] COc1ccc(cc1OC)N1C[C@H](CC1=O)NC(=O)NCC[*:1]
CO[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 Fc1ccc(cc1)C[*:1] CO[C@@H]1CCC[C@H](C1)OC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CO[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 Fc1ccc(cc1)[*:1] CO[C@@H]1CCC[C@H](C1)OC(=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)Nc1cccc(Cl)c1)[C@H](c1cccnc1)N(C)C2=O O=C(Nc1cccc(Cl)c1)[*:1] COc1cc2C(=O)N(C)[C@@H](c3cccnc3)[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)Nc1cccc(Cl)c1)[C@H](c1cccnc1)N(C)C2=O c1cncc(c1)[*:1] COc1cc2C(=O)N(C)[C@@H]([C@@H](C(=O)Nc3cccc(Cl)c3)c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)Nc1cccc(Cl)c1)[C@H](c1cccnc1)N(C)C2=O Clc1cccc(c1)[*:1] COc1cc2C(=O)N(C)[C@@H](c3cccnc3)[C@@H](C(=O)N[*:1])c2cc1OC
O=C(NC1CC1)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 C1CC1[*:1] O=C(N[*:1])[C@H](Oc1ccc(F)cc1Cl)c1ccccc1
O=C(NC1CC1)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 O=C(NC1CC1)[*:1] Fc1ccc(O[C@H](c2ccccc2)[*:1])c(Cl)c1
O=C(NC1CC1)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@H](Oc1ccc(F)cc1Cl)[*:1]
COc1ccc(O)c(C(=O)N(C)CCc2cccs2)c1 c1csc(c1)C[*:1] COc1ccc(O)c(c1)C(=O)N(C)C[*:1]
COc1ccc(O)c(C(=O)N(C)CCc2cccs2)c1 c1csc(c1)[*:1] COc1ccc(O)c(c1)C(=O)N(C)CC[*:1]
[NH3+]C1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] [NH3+]C1CCC(CC1)Oc1ccc(cn1)[*:1]
O=C(Nc1ccnc(-c2ccccc2)n1)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1ccnc(n1)[*:1])c1cnn(c1)-c1ccccc1
O=C(Nc1ccnc(-c2ccccc2)n1)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1ccnc(n1)-c1ccccc1)c1cnn(c1)[*:1]
O=C(NNc1cnccn1)C1CCC(F)(F)CC1 c1cnc(cn1)[*:1] O=C(NN[*:1])C1CCC(F)(F)CC1
N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccccc1F Fc1ccccc1[*:1] N#Cc1ccc(nc1SCC(=O)N[*:1])-c1ccc(F)cc1
N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccccc1F Fc1ccc(cc1)[*:1] N#Cc1ccc(nc1SCC(=O)Nc1ccccc1F)[*:1]
Cc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)Nc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[*:1]
Cc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)Nc2ccc(Cl)cc2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc(Cl)cc1)[C@H]1CC=CC[C@@H]1C(=O)N[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)/C=C/C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)OC[C@@H](C)NC(=O)C=C[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)/C=C/C2CC2)c1 C(=C[*:1])C1CC1 Cc1cccc(c1)OC[C@@H](C)NC(=O)[*:1]
COCCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 COCC[*:1] C[C@H](N[C@H](C)C(=O)NC(=O)N[*:1])c1ccc(Cl)cc1
COCCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)[*:1]
COCCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 COC[*:1] C[C@H](N[C@H](C)C(=O)NC(=O)NC[*:1])c1ccc(Cl)cc1
CC[C@@H](NC(=O)CSc1cccc(OC)c1)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@@H](NC(=O)CSc1cccc(c1)OC)[*:1]
CC[C@@H](NC(=O)Nc1cc(-c2ccccc2)on1)c1c(C)nn(C)c1C c1ccc(cc1)[*:1] CC[C@@H](NC(=O)Nc1cc(on1)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)Nc1cc(-c2ccccc2)on1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)Nc1cc(on1)-c1ccccc1)[*:1]
Cc1noc(CSc2nc3sc4c(c3c(=O)n2C)CCC4)n1 Cc1noc(n1)[*:1] Cn1c(nc2sc3CCCc3c2c1=O)SC[*:1]
Cc1noc(CSc2nc3sc4c(c3c(=O)n2C)CCC4)n1 Cc1noc(C[*:1])n1 Cn1c(nc2sc3CCCc3c2c1=O)S[*:1]
C[NH+](C)CCSCC(C)(C)C(=O)[O-] O=C([O-])[*:1] C[NH+](C)CCSCC(C)(C)[*:1]
C#CCN(C(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)Nc1c(C)cccc1C)[*:1]
C#CCN(C(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] Cc1cccc(C)c1NC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2C(N)=O)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H]1CCCN1c1ccc(cc1C(N)=O)[*:1]
COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2C(N)=O)cc1 COc1ccc(cc1)[*:1] NC(=O)c1cc(ccc1N1CCC[C@H]1[*:1])[N+](=O)[O-]
COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2C(N)=O)cc1 NC(=O)[*:1] COc1ccc(cc1)[C@@H]1CCCN1c1ccc(cc1[*:1])[N+](=O)[O-]
O=C1COCC(=O)N1Cc1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] O=C1COCC(=O)N1Cc1ccc(cc1F)[*:1]
Cc1c(CNC(=O)Cn2cnc3ccccc32)sc2nc(-c3cccs3)cn12 c1ccc2c(c1)ncn2[*:1] Cc1c(CNC(=O)C[*:1])sc2nc(cn12)-c1cccs1
Cc1c(CNC(=O)Cn2cnc3ccccc32)sc2nc(-c3cccs3)cn12 c1csc(c1)[*:1] Cc1c(CNC(=O)Cn2cnc3ccccc32)sc2nc(cn12)[*:1]
Cc1nn2cccnc2c1C(=O)O[C@@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1nn2cccnc2c1C(=O)O[C@@H](C)[*:1]
C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@](C)(O)c1ccco1 C1CC1[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)NC[C@](C)(O)c1ccco1
C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@](C)(O)c1ccco1 c1coc(c1)[*:1] C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@](C)(O)[*:1]
CCOC(=O)Nc1nc2c(s1)CN(CCN1C(=O)c3ccccc3C1=O)CC2 CCOC(=O)N[*:1] O=C1c2ccccc2C(=O)N1CCN1CCc2nc(sc2C1)[*:1]
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OCC)c(O)cc1Br c1ccc(cc1)[*:1] CCOC(=O)C1=C(NC(=O)N[C@H]1c1cc(OCC)c(O)cc1Br)[*:1]
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OCC)c(O)cc1Br CCO[*:1] CCOC(=O)C1=C(NC(=O)N[C@H]1c1cc(c(O)cc1Br)[*:1])c1ccccc1
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OCC)c(O)cc1Br CCOC(=O)[*:1] CCOc1cc(c(Br)cc1O)[C@@H]1NC(=O)NC(=C1[*:1])c1ccccc1
CCc1ccc(N2C[C@@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(Nc1ccc2ccccc2c1)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(Cc2n[nH]c(SCC(=O)N[C@H]3CCCC[C@H]3C)n2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc(C[*:1])n[nH]1
CC[C@](C)([C@@H]([NH3+])C=C(C)C)[NH+](C)C CC(C)=C[*:1] CC[C@](C)([C@@H]([NH3+])[*:1])[NH+](C)C
CS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 CS(=O)(=O)[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@@H]1[NH2+]CCC[*:1]
CS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 CS(=O)(=O)C[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@@H]1[NH2+]CC[*:1]
CS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 CS(=O)(=O)CC[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@@H]1[NH2+]C[*:1]
O=C1C(=O)N(CC(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2cccs2)c2ccccc21 c1csc(c1)[*:1] O=C1C(=O)N(CC(=O)N2N=C(C[C@H]2[*:1])c2ccc(Br)cc2)c2ccccc21
O=C1C(=O)N(CC(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2cccs2)c2ccccc21 Brc1ccc(cc1)[*:1] O=C1C(=O)N(CC(=O)N2N=C(C[C@@H]2c2cccs2)[*:1])c2ccccc21
CC(C)c1ccc(OCCNC(=O)c2ncoc2[C@@H]2CCCO2)cc1 CC(C)[*:1] O=C(NCCOc1ccc(cc1)[*:1])c1ncoc1[C@@H]1CCCO1
Cc1nonc1C(=O)N1CC[C@@H](N(C(=O)c2nonc2C)C2CC2)C1 C1CC1[*:1] Cc1nonc1C(=O)N1CC[C@H](C1)N(C(=O)c1nonc1C)[*:1]
Cc1nonc1C(=O)N1CC[C@@H](N(C(=O)c2nonc2C)C2CC2)C1 Cc1nonc1[*:1] Cc1nonc1C(=O)N1CC[C@H](C1)N(C(=O)[*:1])C1CC1
Cc1nonc1C(=O)N1CC[C@@H](N(C(=O)c2nonc2C)C2CC2)C1 Cc1nonc1[*:1] Cc1nonc1C(=O)N(C1CC1)[C@@H]1CCN(C1)C(=O)[*:1]
C[C@@H](NC(=O)N[C@@H](CO)c1ccco1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@@H](CO)c1ccco1)[*:1]
C[C@@H](NC(=O)N[C@@H](CO)c1ccco1)c1ccc(Br)cc1 c1coc(c1)[*:1] C[C@@H](NC(=O)N[C@@H](CO)[*:1])c1ccc(Br)cc1
Cc1nc(C2([NH2+]CC(=O)NCCc3ccc(F)cc3)CCCCC2)no1 Fc1ccc(cc1)C[*:1] Cc1nc(no1)C1(CCCCC1)[NH2+]CC(=O)NC[*:1]
Cc1nc(C2([NH2+]CC(=O)NCCc3ccc(F)cc3)CCCCC2)no1 Cc1nc(no1)[*:1] O=C(C[NH2+]C1(CCCCC1)[*:1])NCCc1ccc(F)cc1
Cc1nc(C2([NH2+]CC(=O)NCCc3ccc(F)cc3)CCCCC2)no1 Fc1ccc(cc1)[*:1] Cc1nc(no1)C1(CCCCC1)[NH2+]CC(=O)NCC[*:1]
COC(=O)C1=C([O-])N=C(SCC(=O)Nc2ccc3ccccc3c2)[C@@H](C#N)[C@@H]1c1ccc(C)cc1 c1ccc2cc(ccc2c1)[*:1] COC(=O)C1=C([O-])N=C(SCC(=O)N[*:1])[C@@H](C#N)[C@@H]1c1ccc(C)cc1
COC(=O)C1=C([O-])N=C(SCC(=O)Nc2ccc3ccccc3c2)[C@@H](C#N)[C@@H]1c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H]1C(=C([O-])N=C(SCC(=O)Nc2ccc3ccccc3c2)[C@H]1C#N)[*:1]
COC(=O)C1=C([O-])N=C(SCC(=O)Nc2ccc3ccccc3c2)[C@@H](C#N)[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)C1=C([O-])N=C(SCC(=O)Nc2ccc3ccccc3c2)[C@@H](C#N)[C@H]1[*:1]
Cc1ccc(CNC2CC[NH+](CC(C)C)CC2)s1 CC(C)C[*:1] Cc1ccc(CNC2CC[NH+](CC2)[*:1])s1
Cc1ccc(CNC2CC[NH+](CC(C)C)CC2)s1 CC(C)[*:1] Cc1ccc(CNC2CC[NH+](CC2)C[*:1])s1
Cc1ccc(CNC2CC[NH+](CC(C)C)CC2)s1 Cc1ccc(s1)[*:1] CC(C)C[NH+]1CCC(CC1)NC[*:1]
O=C(CSc1nnc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c(Cl)c1 O=[N+]([O-])c1ccccc1[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc(Cl)c(Cl)c1
O=C(CSc1nnc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c(Cl)c1 O=[N+]([O-])[*:1] O=C(CSc1nnc(o1)-c1ccccc1[*:1])Nc1ccc(Cl)c(Cl)c1
O=C(CSc1nnc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(CSc1nnc(o1)-c1ccccc1[N+](=O)[O-])N[*:1]
NC(=O)[C@H]1CCCN1C(=O)CCc1nc(-c2ccsc2)no1 NC(=O)[*:1] O=C(CCc1nc(no1)-c1ccsc1)N1CCC[C@@H]1[*:1]
NC(=O)[C@H]1CCCN1C(=O)CCc1nc(-c2ccsc2)no1 c1cc(cs1)[*:1] NC(=O)[C@H]1CCCN1C(=O)CCc1nc(no1)[*:1]
Cc1nc(C)c(CNC(=O)NCCCO[C@@H]2CCCc3ccccc32)s1 Cc1nc(C)c(C[*:1])s1 O=C(NCCCO[C@@H]1CCCc2ccccc21)N[*:1]
Cc1nc(C)c(CNC(=O)NCCCO[C@@H]2CCCc3ccccc32)s1 Cc1nc(C)c(s1)[*:1] O=C(NCCCO[C@@H]1CCCc2ccccc21)NC[*:1]
COC(=O)c1cccc(NC(=O)NCc2ccc(OC)c(F)c2)c1 COC(=O)[*:1] COc1ccc(cc1F)CNC(=O)Nc1cccc(c1)[*:1]
CCC(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 O=[N+]([O-])[*:1] CCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1C)[*:1]
CCC(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 CCC(=O)N[*:1] Cc1cc(ccc1NC(=O)c1ccc(cc1)[*:1])[N+](=O)[O-]
C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccccc2)CC1 FC(F)(F)c1cccc(c1)[*:1] C[C@H](c1nc(no1)[*:1])N1CCN(CC1)C(=O)c1ccccc1
C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](c1nc(no1)-c1cccc(c1)C(F)(F)F)N1CCN(CC1)C(=O)[*:1]
C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccccc2)CC1 FC(F)(F)[*:1] C[C@H](c1nc(no1)-c1cccc(c1)[*:1])N1CCN(CC1)C(=O)c1ccccc1
CC[NH+](CC)[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])C1 Cc1cc(F)ccc1[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)c1nn(cc1[O-])[*:1]
CCOc1ccc(CN2CC[C@@](F)(C(=O)OC)C2)nc1 COC(=O)[*:1] CCOc1ccc(CN2CC[C@@](F)(C2)[*:1])nc1
CCOc1ccc(CN2CC[C@@](F)(C(=O)OC)C2)nc1 CCO[*:1] COC(=O)[C@]1(F)CCN(Cc2ccc(cn2)[*:1])C1
Cc1nc(Cc2nnc(S[C@H](C)C(=O)c3ccc(F)cc3)o2)cs1 Cc1nc(cs1)C[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)c1ccc(F)cc1
Cc1nc(Cc2nnc(S[C@H](C)C(=O)c3ccc(F)cc3)o2)cs1 Fc1ccc(cc1)[*:1] Cc1nc(cs1)Cc1nnc(o1)S[C@H](C)C(=O)[*:1]
Cc1nc(Cc2nnc(S[C@H](C)C(=O)c3ccc(F)cc3)o2)cs1 Cc1nc(cs1)[*:1] C[C@@H](Sc1nnc(C[*:1])o1)C(=O)c1ccc(F)cc1
O=C(c1cccnc1NCc1coc(-c2ccccc2)n1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(c1cccnc1NCc1coc(n1)[*:1])N1CCCCC1
O=C(c1cccnc1NCc1coc(-c2ccccc2)n1)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1ccc(cc1)-c1nc(co1)CNc1ncccc1[*:1]
C[NH+](CCNC(=O)CCC(F)(F)F)C1CCCCC1 FC(F)(F)CC[*:1] C[NH+](CCNC(=O)[*:1])C1CCCCC1
C[NH+](CCNC(=O)CCC(F)(F)F)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCNC(=O)CCC(F)(F)F)[*:1]
C[NH+](CCNC(=O)CCC(F)(F)F)C1CCCCC1 FC(F)(F)[*:1] C[NH+](CCNC(=O)CC[*:1])C1CCCCC1
C[NH+](CCNC(=O)CCC(F)(F)F)C1CCCCC1 FC(F)(F)C[*:1] C[NH+](CCNC(=O)C[*:1])C1CCCCC1
COc1ccc(-n2cc(CNC(=O)c3cc(C(C)(C)C)on3)nn2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)-n1cc(CNC(=O)c2cc(on2)[*:1])nn1
COc1ccc(-n2cc(CNC(=O)c3cc(C(C)(C)C)on3)nn2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)c1cc(no1)C(=O)NCc1cn(nn1)[*:1]
Cc1cccc(NC(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)NCC[C@H]1CCCCN1S(=O)(=O)[*:1]
Cc1cccc(NC(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N[*:1]
N#Cc1c(N)nc2c(c1-c1ccco1)CCCCCC2 c1coc(c1)[*:1] N#Cc1c(N)nc2CCCCCCc2c1[*:1]
CC(C)CC1(CNc2ccccc2S(N)(=O)=O)CCCC1 CC(C)C[*:1] NS(=O)(=O)c1ccccc1NCC1(CCCC1)[*:1]
CC(C)CC1(CNc2ccccc2S(N)(=O)=O)CCCC1 CC(C)[*:1] NS(=O)(=O)c1ccccc1NCC1(CCCC1)C[*:1]
CC(C)CC1(CNc2ccccc2S(N)(=O)=O)CCCC1 NS(=O)(=O)[*:1] CC(C)CC1(CCCC1)CNc1ccccc1[*:1]
CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)COC3)c1 O=[N+]([O-])[*:1] CSc1ccc(c(c1)C(=O)Nc1ccc2COCc2c1)[*:1]
CCCN(C(=O)[C@@H](C)Sc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCN(C(=O)[C@@H](C)Sc1nc(C)cs1)[*:1]
CCCN(C(=O)[C@@H](C)Sc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1csc(n1)S[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCN(C(=O)[C@@H](C)Sc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 Cc1csc(n1)[*:1] CCCN(C(=O)[C@@H](C)S[*:1])[C@@H]1CCS(=O)(=O)C1
CCCN(C(=O)[C@@H](C)Sc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 Cc1csc(n1)S[*:1] CCCN(C(=O)[C@@H](C)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1nnc(/N=C(\[O-])C[NH+]2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)s1 Cc1nnc(s1)[*:1] [O-]C(C[NH+]1CCN(CC1)Cc1ccc(Cl)c(Cl)c1)=N[*:1]
Cc1nnc(/N=C(\[O-])C[NH+]2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)s1 Clc1ccc(cc1Cl)[*:1] Cc1nnc(/N=C(\[O-])C[NH+]2CCN(CC2)C[*:1])s1
O=C1CC[C@H](COC(=O)Cc2ccc(-n3cccc3)cc2)N1 c1ccn(c1)[*:1] O=C1CC[C@H](COC(=O)Cc2ccc(cc2)[*:1])N1
Cc1nc(/C=C/C(=O)Nc2ccnn2C(C)C)cs1 Cc1nc(cs1)[*:1] CC(C)n1nccc1NC(=O)C=C[*:1]
Cc1nc(/C=C/C(=O)Nc2ccnn2C(C)C)cs1 CC(C)[*:1] Cc1nc(/C=C/C(=O)Nc2ccnn2[*:1])cs1
C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccncc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)C(C)(C)O[*:1])c1ccncc1
C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[*:1]
Cc1ccc(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(CNC(=O)CCc2nc(no2)[*:1])c(C)c1
Cc1ccc(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CCc1nc(no1)-c1ccc(Cl)cc1)NC[*:1]
COc1cccc(-n2c(/C=C\c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c1 O=[N+]([O-])[*:1] COc1cccc(c1)-n1c(/C=C\c2ccccc2[*:1])nc2ccccc2c1=O
COc1cccc(-n2c(/C=C\c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c1 O=[N+]([O-])c1ccccc1[*:1] COc1cccc(c1)-n1c(C=C[*:1])nc2ccccc2c1=O
COc1cccc(-n2c(/C=C\c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c1 COc1cccc(c1)[*:1] O=c1c2ccccc2nc(/C=C\c2ccccc2[N+](=O)[O-])n1[*:1]
O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cccnc1Sc1ccccc1 c1ccc(cc1)S[*:1] O=C(Nc1ccc(c(Cl)c1)-n1ccnc1)c1cccnc1[*:1]
O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cccnc1Sc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(c(Cl)c1)-n1ccnc1)c1cccnc1S[*:1]
O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cccnc1Sc1ccccc1 c1cn(cn1)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1cccnc1Sc1ccccc1
COc1ccc(C(=O)CCC(=O)NCC(F)(F)F)cc1F FC(F)(F)[*:1] COc1ccc(cc1F)C(=O)CCC(=O)NC[*:1]
COc1ccc(C(=O)CCC(=O)NCC(F)(F)F)cc1F FC(F)(F)C[*:1] COc1ccc(cc1F)C(=O)CCC(=O)N[*:1]
CCC[NH2+][C@@H](Cc1nccn1C)[C@H]1CCC[C@H](C)C1 Cn1ccnc1[*:1] CCC[NH2+][C@@H](C[*:1])[C@H]1CCC[C@H](C)C1
CCC[NH2+][C@@H](Cc1nccn1C)[C@H]1CCC[C@H](C)C1 CCC[*:1] C[C@H]1CCC[C@@H](C1)[C@H](Cc1nccn1C)[NH2+][*:1]
CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2cccc(F)c2F)c1 CN(C)S(=O)(=O)[*:1] O=C(Nc1cccc(F)c1F)c1cc(ccc1N1CCCCC1)[*:1]
CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2cccc(F)c2F)c1 Fc1cccc(c1F)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)C(=O)N[*:1])N1CCCCC1
CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2cccc(F)c2F)c1 C1CCN(CC1)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)C(=O)Nc1cccc(F)c1F)[*:1]
CN(CCn1cnnc1)S(=O)(=O)N1CCC(C(C)(C)C)CC1 CC(C)(C)[*:1] CN(CCn1cnnc1)S(=O)(=O)N1CCC(CC1)[*:1]
CN(CCn1cnnc1)S(=O)(=O)N1CCC(C(C)(C)C)CC1 c1nncn1[*:1] CN(CC[*:1])S(=O)(=O)N1CCC(CC1)C(C)(C)C
CN(CCn1cnnc1)S(=O)(=O)N1CCC(C(C)(C)C)CC1 c1nncn1CC[*:1] CN(S(=O)(=O)N1CCC(CC1)C(C)(C)C)[*:1]
CN(CCn1cnnc1)S(=O)(=O)N1CCC(C(C)(C)C)CC1 c1nncn1C[*:1] CN(C[*:1])S(=O)(=O)N1CCC(CC1)C(C)(C)C
CC/C=C(/C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 CCC=C(C)[*:1] COc1ccccc1NS(=O)(=O)c1cc(ccc1C)NC(=O)[*:1]
CC/C=C(/C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 CC/C=C(/C)C(=O)N[*:1] COc1ccccc1NS(=O)(=O)c1cc(ccc1C)[*:1]
CC/C=C(/C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 COc1ccccc1[*:1] CC/C=C(/C)C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N[*:1]
CCOC(=O)CN1C(=S)S[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H]1N CCOC(=O)[*:1] N[C@@H]1[C@H](SC(=S)N1C[*:1])C1[NH+]=c2ccccc2=[NH+]1
CCOC(=O)CN1C(=S)S[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@H]1N CCOC(=O)C[*:1] N[C@@H]1[C@H](SC(=S)N1[*:1])C1[NH+]=c2ccccc2=[NH+]1
COc1ccc(O[C@@H]2C(=O)N(Cc3ccc(C#N)cc3)[C@H]2c2ccc3c(c2)CCO3)cc1 c1cc2OCCc2cc1[*:1] COc1ccc(cc1)O[C@@H]1C(=O)N(Cc2ccc(C#N)cc2)[C@@H]1[*:1]
COc1ccc(O[C@@H]2C(=O)N(Cc3ccc(C#N)cc3)[C@H]2c2ccc3c(c2)CCO3)cc1 N#Cc1ccc(cc1)C[*:1] COc1ccc(cc1)O[C@@H]1C(=O)N([C@H]1c1ccc2OCCc2c1)[*:1]
COc1ccc(O[C@@H]2C(=O)N(Cc3ccc(C#N)cc3)[C@H]2c2ccc3c(c2)CCO3)cc1 COc1ccc(cc1)O[*:1] N#Cc1ccc(cc1)CN1C(=O)[C@H]([C@@H]1c1ccc2OCCc2c1)[*:1]
COc1ccc(O[C@@H]2C(=O)N(Cc3ccc(C#N)cc3)[C@H]2c2ccc3c(c2)CCO3)cc1 N#Cc1ccc(cc1)[*:1] COc1ccc(cc1)O[C@@H]1C(=O)N(C[*:1])[C@H]1c1ccc2OCCc2c1
COc1ccc(O[C@@H]2C(=O)N(Cc3ccc(C#N)cc3)[C@H]2c2ccc3c(c2)CCO3)cc1 COc1ccc(cc1)[*:1] N#Cc1ccc(cc1)CN1C(=O)[C@@H](O[*:1])[C@@H]1c1ccc2OCCc2c1
Cc1csc([C@H](C)NC(=O)N[C@H](C)c2oc3ccc(F)cc3c2C)n1 Cc1csc(n1)[C@H](C)[*:1] Cc1c(oc2ccc(F)cc12)[C@@H](C)NC(=O)N[*:1]
Cc1csc([C@H](C)NC(=O)N[C@H](C)c2oc3ccc(F)cc3c2C)n1 Cc1csc(n1)[*:1] Cc1c(oc2ccc(F)cc12)[C@@H](C)NC(=O)N[C@@H](C)[*:1]
CC[C@]1(C)C[C@]2(CCO1)C[NH+]=C(N)N2C1CCCCCC1 C1CCCC(CC1)[*:1] CC[C@]1(C)C[C@]2(CCO1)C[NH+]=C(N)N2[*:1]
Cc1ccc(-c2ocnc2C(=O)N2C[C@@H](C)CC[C@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)c1ncoc1[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c1C Cc1nn(C)c(C)c1C[*:1] Cc1cccc(c1C)[C@@H]1CCCCN1C(=O)N[C@H](C)[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c1C Cc1nn(C)c(C)c1[*:1] Cc1cccc(c1C)[C@@H]1CCCCN1C(=O)N[C@H](C)C[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c1C Cc1cccc(c1C)[*:1] Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCCC[C@H]1[*:1]
CC(C)n1ncnc1C[C@@](C)(O)c1cc(F)cc(F)c1 CC(C)[*:1] C[C@@](O)(Cc1ncnn1[*:1])c1cc(F)cc(F)c1
COC(=O)c1ccsc1NC(=O)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] COC(=O)c1ccsc1NC(=O)Cc1coc(n1)[*:1]
COC(=O)c1ccsc1NC(=O)Cc1coc(-c2ccccc2)n1 COC(=O)[*:1] O=C(Cc1coc(n1)-c1ccccc1)Nc1sccc1[*:1]
CC(C)N(Cc1cccnc1)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 c1cncc(c1)C[*:1] CC(C)N(C(=O)NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
CC(C)N(Cc1cccnc1)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 CC(C)[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)N(Cc1cccnc1)[*:1]
CC(C)N(Cc1cccnc1)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 c1cncc(c1)[*:1] CC(C)N(C[*:1])C(=O)NC[C@H]1C[C@@]12CCc1ccccc12
C[C@@H](NCCNC(=O)c1cccs1)c1nccs1 c1csc(c1)[*:1] C[C@@H](NCCNC(=O)[*:1])c1nccs1
C[C@@H](NCCNC(=O)c1cccs1)c1nccs1 c1csc(n1)[*:1] C[C@@H](NCCNC(=O)c1cccs1)[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccc(Cl)c(Cl)c1 c1csc(c1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@H]1c1ccc(Cl)c(Cl)c1)[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1[*:1]
O=C(c1ccsc1)N1CCC[NH+](Cc2cnc3ccsc3c2)CC1 c1cc(cs1)[*:1] O=C(N1CCC[NH+](CC1)Cc1cnc2ccsc2c1)[*:1]
CCCOCC[C@@]1(O)C[C@@H]1CCC CCC[*:1] CCC[C@H]1C[C@]1(O)CCO[*:1]
CCCOCC[C@@]1(O)C[C@@H]1CCC CCCO[*:1] CCC[C@H]1C[C@]1(O)CC[*:1]
CCCOCC[C@@]1(O)C[C@@H]1CCC CCC[*:1] CCCOCC[C@@]1(O)C[C@H]1[*:1]
Cn1ccc(CNC(=O)N2CCOC[C@H]2C2CC2)c1 C1CC1[*:1] Cn1ccc(c1)CNC(=O)N1CCOC[C@@H]1[*:1]
Cn1ccc(CNC(=O)N2CCOC[C@H]2C2CC2)c1 Cn1ccc(c1)[*:1] O=C(NC[*:1])N1CCOC[C@H]1C1CC1
Cc1cccc(C(=O)Nc2ccc(Oc3nc4ccccc4o3)cc2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)Oc1nc2ccccc2o1)[*:1]
Cc1cc(C(=O)N[C@H](C)C[NH+]2CCCC2)sc1C#CCN NCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N[C@H](C)C[NH+]1CCCC1
Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cs2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)c1csc(CO[*:1])n1
Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cs2)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1)OCc1nc(cs1)C(=O)Nc1ccc(C)c(c1)[*:1]
Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cs2)cc1 Cc1ccc(cc1)OC[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)c1csc(n1)[*:1]
Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cs2)cc1 Cc1ccc(cc1)O[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)c1csc(C[*:1])n1
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N[*:1]
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1cc(F)ccc1F Fc1ccc(cc1)[*:1] O=C(Cn1cnc2c(cnn2[*:1])c1=O)Nc1cc(F)ccc1F
CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C CCOC[*:1] CC1Cn2c(nc3c2c(=O)n(Cc2cccc(C)c2)c(=O)n3C)N(C[*:1])N=1
CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C CCO[*:1] CC1Cn2c(nc3c2c(=O)n(Cc2cccc(C)c2)c(=O)n3C)N(CC[*:1])N=1
CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C Cc1cccc(c1)C[*:1] CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C Cc1cccc(c1)[*:1] CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C CCOCC[*:1] CC1Cn2c(nc3c2c(=O)n(Cc2cccc(C)c2)c(=O)n3C)N(N=1)[*:1]
CCCNC(=O)CNC(=O)c1ccc(Br)o1 CCC[*:1] O=C(CNC(=O)c1ccc(Br)o1)N[*:1]
CCCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCCC)c(=O)n1C CCCC[*:1] CCCCn1c(=O)c2c(nc3N(N=C(C)Cn32)[*:1])n(C)c1=O
CCCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCCC)c(=O)n1C CCC[*:1] CCCCn1c(=O)c2c(nc3N(C[*:1])N=C(C)Cn32)n(C)c1=O
CCCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCCC)c(=O)n1C CCC[*:1] CCCCN1N=C(C)Cn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
CCCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCCC)c(=O)n1C CCCC[*:1] CCCCN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
COc1ccc(CN(C)Cc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C COc1ccc(cc1C)[*:1] Cc1c(CN(C)C[*:1])c(=O)n(-c2ccccc2)n1C
COc1ccc(CN(C)Cc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C c1ccc(cc1)[*:1] COc1ccc(cc1C)CN(C)Cc1c(C)n(C)n(c1=O)[*:1]
COc1ccc2ccccc2c1C[NH2+][C@@H](c1nc2ccccc2[nH]1)C(C)C c1ccc2[nH]c(nc2c1)[*:1] COc1ccc2ccccc2c1C[NH2+][C@@H](C(C)C)[*:1]
COc1ccc2ccccc2c1C[NH2+][C@@H](c1nc2ccccc2[nH]1)C(C)C CC(C)[*:1] COc1ccc2ccccc2c1C[NH2+][C@@H](c1nc2ccccc2[nH]1)[*:1]
O=C(NCCc1ccccc1)c1ncc(Cl)c(Cl)c1Cl c1ccc(cc1)[*:1] O=C(NCC[*:1])c1ncc(Cl)c(Cl)c1Cl
COc1cc2s/c(=N/C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)n(C)c2cc1OC Cc1ccc(cc1)[*:1] COc1cc2s/c(=N/C(=O)[C@H]3CCCN3S(=O)(=O)[*:1])n(C)c2cc1OC
CS(=O)(=O)NCCc1ccc(C(=O)NCc2nc3ccccc3s2)cc1 CS(=O)(=O)NCC[*:1] O=C(NCc1nc2ccccc2s1)c1ccc(cc1)[*:1]
CS(=O)(=O)NCCc1ccc(C(=O)NCc2nc3ccccc3s2)cc1 CS(=O)(=O)N[*:1] O=C(NCc1nc2ccccc2s1)c1ccc(cc1)CC[*:1]
CS(=O)(=O)NCCc1ccc(C(=O)NCc2nc3ccccc3s2)cc1 CS(=O)(=O)NC[*:1] O=C(NCc1nc2ccccc2s1)c1ccc(cc1)C[*:1]
CCOCCCC(=O)N1CCN(C(=O)CO)CC1 CCOCC[*:1] O=C(CO)N1CCN(CC1)C(=O)C[*:1]
CCOCCCC(=O)N1CCN(C(=O)CO)CC1 CCOCCC[*:1] O=C(CO)N1CCN(CC1)C(=O)[*:1]
CCOCCCC(=O)N1CCN(C(=O)CO)CC1 CCO[*:1] O=C(CO)N1CCN(CC1)C(=O)CCC[*:1]
CCOCCCC(=O)N1CCN(C(=O)CO)CC1 CCOC[*:1] O=C(CO)N1CCN(CC1)C(=O)CC[*:1]
O=C(c1ccc2c(=O)n3c(nc2c1)CCCCCC3)N1CCSC1 O=C(N1CCSC1)[*:1] O=c1c2ccc(cc2nc2CCCCCCn21)[*:1]
CC(=O)Nc1cccc(C(=O)N2CCSC[C@H]2c2ccc(C)o2)c1 CC(=O)N[*:1] Cc1ccc(o1)[C@@H]1CSCCN1C(=O)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)N2CCSC[C@H]2c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] CC(=O)Nc1cccc(c1)C(=O)N1CCSC[C@@H]1[*:1]
CSc1cc(C(=O)Cn2nc(-c3ccco3)oc2=O)ccc1NC(C)=O c1coc(c1)[*:1] CSc1cc(ccc1NC(C)=O)C(=O)Cn1nc(oc1=O)[*:1]
CSc1cc(C(=O)Cn2nc(-c3ccco3)oc2=O)ccc1NC(C)=O CC(=O)N[*:1] CSc1cc(ccc1[*:1])C(=O)Cn1nc(oc1=O)-c1ccco1
CC(=O)N1CCN(C(=O)CSc2ccccn2)CC1 c1ccc(nc1)[*:1] CC(=O)N1CCN(CC1)C(=O)CS[*:1]
Cc1nccn1Cc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 Cc1nccn1[*:1] O=C(NCc1cccc(c1)C[*:1])[C@H]1CC=CCC1
Cc1nccn1Cc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 Cc1nccn1C[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1CC=CCC1
Cc1cnc(C(=O)OCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cn1 Cc1cnc(cn1)[*:1] O=C(COC(=O)[*:1])N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1
Cc1cnc(C(=O)OCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cn1 c1ccc(cc1)[*:1] Cc1cnc(cn1)C(=O)OCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1[*:1]
Cc1cnc(C(=O)OCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cn1 c1ccc(cc1)[*:1] Cc1cnc(cn1)C(=O)OCC(=O)N1N=C2C(=C[*:1])CCC[C@H]2[C@@H]1c1ccccc1
Cc1cnc(C(=O)OCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cn1 Cc1cnc(cn1)C(=O)OC[*:1] O=C(N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1)[*:1]
Cc1cnc(C(=O)OCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cn1 Cc1cnc(cn1)C(=O)O[*:1] O=C(C[*:1])N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1
Cc1ccc(NC(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cn1 Cc1ccc(cn1)[*:1] O=C(N[*:1])N1CCC[C@@H](C1)c1nnc2CCCCCn21
CN1C(=O)C[C@H](NC(=O)NCC(C)(C)C(N)=O)[C@H]1c1ccc(Cl)cc1 CC(C)(C[*:1])C(N)=O CN1C(=O)C[C@H](NC(=O)N[*:1])[C@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NC(=O)NCC(C)(C)C(N)=O)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)NCC(C)(C)C(N)=O)[C@@H]1[*:1]
CN1C(=O)C[C@H](NC(=O)NCC(C)(C)C(N)=O)[C@H]1c1ccc(Cl)cc1 CC(C)(C(N)=O)[*:1] CN1C(=O)C[C@H](NC(=O)NC[*:1])[C@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NC(=O)NCC(C)(C)C(N)=O)[C@H]1c1ccc(Cl)cc1 NC(=O)[*:1] CN1C(=O)C[C@H](NC(=O)NCC(C)(C)[*:1])[C@H]1c1ccc(Cl)cc1
CC(C)(C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1)N1CCOCC1 CC(C)(N1CCOCC1)[*:1] O=C([O-])[C@]12COc3ccccc3[C@H]1CN(C2)C(=O)[*:1]
CC(C)(C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(C(=O)N1C[C@@H]2c3ccccc3OC[C@@]2(C1)C(=O)[O-])[*:1]
CC(C)(C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1)N1CCOCC1 O=C([O-])[*:1] CC(C)(C(=O)N1C[C@@H]2c3ccccc3OC[C@@]2(C1)[*:1])N1CCOCC1
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H](C)CN1CCOCC1 FC(F)(F)[*:1] Cc1c(Cl)c(nn1CC(=O)N[C@@H](C)CN1CCOCC1)[*:1]
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H](C)CN1CCOCC1 C1CN(CCO1)C[*:1] Cc1c(Cl)c(nn1CC(=O)N[C@@H](C)[*:1])C(F)(F)F
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H](C)CN1CCOCC1 C1CN(CCO1)[*:1] Cc1c(Cl)c(nn1CC(=O)N[C@@H](C)C[*:1])C(F)(F)F
Cc1cc(C)cc(CS(=O)(=O)CCCCCBr)c1 BrCC[*:1] Cc1cc(C)cc(c1)CS(=O)(=O)CCC[*:1]
Cc1cc(C)cc(CS(=O)(=O)CCCCCBr)c1 BrCCCCC[*:1] Cc1cc(C)cc(c1)CS(=O)(=O)[*:1]
Cc1cc(C)cc(CS(=O)(=O)CCCCCBr)c1 BrCCCC[*:1] Cc1cc(C)cc(c1)CS(=O)(=O)C[*:1]
Cc1cc(C)cc(CS(=O)(=O)CCCCCBr)c1 BrCCC[*:1] Cc1cc(C)cc(c1)CS(=O)(=O)CC[*:1]
Cc1cc(F)cc(N2C(=O)[C@H](C)NC(=O)[C@@H]2C(C)C)c1 CC(C)[*:1] Cc1cc(F)cc(c1)N1C(=O)[C@H](C)NC(=O)[C@H]1[*:1]
COC(=O)c1cccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)c1 c1coc(c1)[*:1] COC(=O)c1cccc(c1)C[NH+]1CCN(CC1)C(=O)[*:1]
COC(=O)c1cccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)c1 COC(=O)[*:1] O=C(c1ccco1)N1CC[NH+](CC1)Cc1cccc(c1)[*:1]
Cc1csc(=O)n1CCC(=O)Nc1ccccc1N1CCOCC1 Cc1csc(=O)n1[*:1] O=C(CC[*:1])Nc1ccccc1N1CCOCC1
Cc1csc(=O)n1CCC(=O)Nc1ccccc1N1CCOCC1 Cc1csc(=O)n1C[*:1] O=C(C[*:1])Nc1ccccc1N1CCOCC1
Cc1csc(=O)n1CCC(=O)Nc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] Cc1csc(=O)n1CCC(=O)Nc1ccccc1[*:1]
COc1ccc(F)cc1-c1csc(NC(=O)C2CCCCC2)n1 C1CCC(CC1)[*:1] COc1ccc(F)cc1-c1csc(n1)NC(=O)[*:1]
CC[C@@H]1CCCCN1C(=O)[C@@H](C)[S@@](=O)Cc1ncoc1C(C)C CC(C)[*:1] CC[C@@H]1CCCCN1C(=O)[C@@H](C)[S@@](=O)Cc1ncoc1[*:1]
C[C@H](Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H](Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H](C)[*:1]
CC(=O)N(CCCNC(=O)c1ccnc(Cl)c1)C(C)C CC(C)[*:1] CC(=O)N(CCCNC(=O)c1ccnc(Cl)c1)[*:1]
O=c1[nH]ncc(N[C@@H]2CCCC[C@@H]2OC2CCCC2)c1Cl C1CCC(C1)O[*:1] O=c1[nH]ncc(N[C@@H]2CCCC[C@H]2[*:1])c1Cl
O=c1[nH]ncc(N[C@@H]2CCCC[C@@H]2OC2CCCC2)c1Cl C1CCC(C1)[*:1] O=c1[nH]ncc(N[C@@H]2CCCC[C@@H]2O[*:1])c1Cl
O=C(Cc1ccc(F)cc1)NCC[NH2+]Cc1cccc2c1OCCO2 Fc1ccc(cc1)C[*:1] O=C(NCC[NH2+]Cc1cccc2OCCOc12)[*:1]
O=C(Cc1ccc(F)cc1)NCC[NH2+]Cc1cccc2c1OCCO2 Fc1ccc(cc1)[*:1] O=C(C[*:1])NCC[NH2+]Cc1cccc2OCCOc12
C[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN([C@@H]2CCCc3ccccc32)C1=O CC(C)(C)CC(=O)N[*:1] C[C@@H]1Oc2ccc(cc2CN(C1=O)[C@@H]1CCCc2ccccc21)[*:1]
C[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN([C@@H]2CCCc3ccccc32)C1=O c1ccc2c(c1)CCC[C@H]2[*:1] C[C@@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)CC(C)(C)C
C[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN([C@@H]2CCCc3ccccc32)C1=O CC(C)(C)C[*:1] C[C@@H]1Oc2ccc(cc2CN(C1=O)[C@@H]1CCCc2ccccc21)NC(=O)[*:1]
C[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN([C@@H]2CCCc3ccccc32)C1=O CC(C)(C)[*:1] C[C@@H]1Oc2ccc(cc2CN(C1=O)[C@@H]1CCCc2ccccc21)NC(=O)C[*:1]
Cn1c(C2CCN(C(=O)CSc3nccn3C(C)(C)C)CC2)n[nH]c1=S CC(C)(C)[*:1] Cn1c(n[nH]c1=S)C1CCN(CC1)C(=O)CSc1nccn1[*:1]
Cn1c(C2CCN(C(=O)CSc3nccn3C(C)(C)C)CC2)n[nH]c1=S Cn1c(n[nH]c1=S)[*:1] CC(C)(C)n1ccnc1SCC(=O)N1CCC(CC1)[*:1]
Cc1cccc(-n2c(S)nc(=O)c3c2NC[NH+](Cc2ccco2)C3)c1 c1coc(c1)C[*:1] Cc1cccc(c1)-n1c(S)nc(=O)c2C[NH+](CNc21)[*:1]
Cc1cccc(-n2c(S)nc(=O)c3c2NC[NH+](Cc2ccco2)C3)c1 Cc1cccc(c1)[*:1] O=c1nc(S)n(c2NC[NH+](Cc3ccco3)Cc21)[*:1]
Cc1cccc(-n2c(S)nc(=O)c3c2NC[NH+](Cc2ccco2)C3)c1 c1coc(c1)[*:1] Cc1cccc(c1)-n1c(S)nc(=O)c2C[NH+](CNc21)C[*:1]
Cc1cccc(OS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1C O=S(=O)(NC1CC1)[*:1] Cc1cccc(OS(=O)(=O)c2ccc(cc2)[*:1])c1C
Cc1cccc(OS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1C C1CC1[*:1] Cc1cccc(OS(=O)(=O)c2ccc(cc2)S(=O)(=O)N[*:1])c1C
Cc1cccc(OS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1C Cc1cccc(c1C)[*:1] O=S(=O)(NC1CC1)c1ccc(cc1)S(=O)(=O)O[*:1]
CCc1nn(-c2ccncn2)c(Cl)c1C(=O)[O-] O=C([O-])[*:1] CCc1nn(-c2ccncn2)c(Cl)c1[*:1]
Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 c1cc2OCOc2cc1[*:1] Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 Cc1cc(Cl)ccc1[*:1] O=C(c1ccc2OCOc2c1)N1CCC[C@H](C1)C(=O)[*:1]
COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(c1ccc(F)cc1C)C2=O O=C(NC1CCCCCC1)[*:1] COC(=O)c1cc2C(=O)N(c3ccc(F)cc3C)[C@](C)(Cn2n1)[*:1]
COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(c1ccc(F)cc1C)C2=O C1CCCC(CC1)[*:1] COC(=O)c1cc2C(=O)N(c3ccc(F)cc3C)[C@@](C)(Cn2n1)C(=O)N[*:1]
COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(c1ccc(F)cc1C)C2=O Cc1cc(F)ccc1[*:1] COC(=O)c1cc2C(=O)N([C@@](C)(Cn2n1)C(=O)NC1CCCCCC1)[*:1]
COC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(c1ccc(F)cc1C)C2=O COC(=O)[*:1] Cc1cc(F)ccc1N1C(=O)c2cc(nn2C[C@@]1(C)C(=O)NC1CCCCCC1)[*:1]
CCc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)on1 Clc1ccccc1[*:1] CCc1cc(CNC(=O)[C@H]2C[C@H]2[*:1])on1
CCc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)on1 CCc1cc(on1)[*:1] O=C(NC[*:1])[C@H]1C[C@@H]1c1ccccc1Cl
COC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1 COC(=O)N[*:1] FC(F)(F)c1ccc(nc1)NCc1ccc(cc1)[*:1]
COC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1 FC(F)(F)[*:1] COC(=O)Nc1ccc(cc1)CNc1ccc(cn1)[*:1]
O=C(Nc1nc2ccccc2s1)C1CN(C(=O)c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=C(Nc1nc2ccccc2s1)C1CN(C1)C(=O)[*:1]
Cc1ccccc1[C@@H](C#N)NC(=O)CSc1ncnc2sc(C)c(C)c12 Cc1ccccc1[*:1] Cc1sc2ncnc(SCC(=O)N[C@H](C#N)[*:1])c2c1C
CC(C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 Fc1cccc(Cl)c1[*:1] CC(C)NC(=O)NC[C@@H](N1CCO[C@H](C)C1)[*:1]
CC(C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 CC(C)[*:1] C[C@@H]1CN(CCO1)[C@@H](CNC(=O)N[*:1])c1c(F)cccc1Cl
CC(C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 C[C@@H]1CN(CCO1)[*:1] CC(C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[*:1]
CC(C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 CC(C)NC(=O)NC[*:1] C[C@@H]1CN(CCO1)[C@H](c1c(F)cccc1Cl)[*:1]
CC(C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 CC(C)NC(=O)N[*:1] C[C@@H]1CN(CCO1)[C@@H](C[*:1])c1c(F)cccc1Cl
O=C(C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=c1ccc2cc(ccc2[nH]1)S(=O)(=O)N1CCC(CC1)[*:1]
CCCn1ncnc1CSc1ccc(N)c(Cl)c1 CCC[*:1] Nc1ccc(cc1Cl)SCc1ncnn1[*:1]
CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CC[NH2+][C@@H]1c2cc(ccc2CC[C@H]1[*:1])OC
CC(C)(O)CCOc1ccc(C(=O)[O-])cc1 CC(C)(O)[*:1] O=C([O-])c1ccc(cc1)OCC[*:1]
CC(C)(O)CCOc1ccc(C(=O)[O-])cc1 CC(C)(O)C[*:1] O=C([O-])c1ccc(cc1)OC[*:1]
CC(C)(O)CCOc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)(O)CCOc1ccc(cc1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 Cc1n[nH]c(C)c1C[*:1] C[C@@H](C(=O)N1CCC[C@@H]1c1cccc(c1)N(C)C)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)N1CCC[C@@H]1c1cccc(c1)N(C)C
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 CN(C)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(c1)[*:1]
Cc1noc(C)c1CCC(=O)N1CCc2sccc2[C@@H]1C Cc1noc(C)c1[*:1] C[C@H]1c2ccsc2CCN1C(=O)CC[*:1]
O=C(CCNS(=O)(=O)c1csc(C(=O)[O-])c1)NC1CC1 O=C([O-])[*:1] O=C(CCNS(=O)(=O)c1csc(c1)[*:1])NC1CC1
O=C(CCNS(=O)(=O)c1csc(C(=O)[O-])c1)NC1CC1 O=C(NC1CC1)[*:1] O=C([O-])c1cc(cs1)S(=O)(=O)NCC[*:1]
O=C(CCNS(=O)(=O)c1csc(C(=O)[O-])c1)NC1CC1 C1CC1[*:1] O=C(CCNS(=O)(=O)c1csc(c1)C(=O)[O-])N[*:1]
CCNC(=O)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 C1CC1[*:1] CCNC(=O)Nc1ccc2CCN(Cc2c1)C(=O)[*:1]
CCNC(=O)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 CCNC(=O)N[*:1] O=C(C1CC1)N1CCc2ccc(cc2C1)[*:1]
Cc1cc(C[C@@H](C)[NH2+]C/C=C/c2ccc(C#N)cc2)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@H](C[*:1])[NH2+]C/C=C/c1ccc(C#N)cc1
Cc1cc(C[C@@H](C)[NH2+]C/C=C/c2ccc(C#N)cc2)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@@H]([NH2+]C/C=C/c1ccc(C#N)cc1)[*:1]
C[C@]1(CNC(=O)N2CCC(OCc3ccccc3F)CC2)CCCS1 Fc1ccccc1C[*:1] C[C@@]1(CCCS1)CNC(=O)N1CCC(CC1)O[*:1]
C[C@]1(CNC(=O)N2CCC(OCc3ccccc3F)CC2)CCCS1 Fc1ccccc1[*:1] C[C@@]1(CCCS1)CNC(=O)N1CCC(CC1)OC[*:1]
Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(Cl)o3)CC2)o1 Clc1ccc(o1)[*:1] Cc1ccc(o1)C(=O)N1CC[NH+](CC1)C[*:1]
Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(Cl)o3)CC2)o1 Cc1ccc(o1)[*:1] O=C(N1CC[NH+](CC1)Cc1ccc(Cl)o1)[*:1]
Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(Cl)o3)CC2)o1 Clc1ccc(C[*:1])o1 Cc1ccc(o1)C(=O)N1CC[NH+](CC1)[*:1]
C[NH2+][C@H](c1cc(F)cc(F)c1)C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] C[NH2+][C@H](c1cc(F)cc(F)c1)C(C)(C)[*:1]
O=C(NC[C@]1(O)CCOc2ccccc21)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(NC[C@]1(O)CCOc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ncsc1COC(=O)[C@@H](C)NC(=O)C1CCC1 C1CC(C1)[*:1] Cc1ncsc1COC(=O)[C@@H](C)NC(=O)[*:1]
Cc1ncsc1COC(=O)[C@@H](C)NC(=O)C1CCC1 Cc1ncsc1[*:1] C[C@@H](NC(=O)C1CCC1)C(=O)OC[*:1]
Cc1ccc(/C=C/C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 C1CC1[*:1] Cc1ccc(/C=C/C(=O)NC[C@H]([NH+](C)C)[*:1])cc1
COc1ccccc1-n1cc(C(=O)N2CCc3[nH]nc(C4CCC4)c3C2)cn1 C1CC(C1)[*:1] COc1ccccc1-n1cc(cn1)C(=O)N1CCc2[nH]nc(c2C1)[*:1]
COc1ccccc1-n1cc(C(=O)N2CCc3[nH]nc(C4CCC4)c3C2)cn1 COc1ccccc1[*:1] O=C(c1cnn(c1)[*:1])N1CCc2[nH]nc(c2C1)C1CCC1
CCS(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)cc1 CCS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
C[C@H](CC(=O)N(CC#N)C1CCCC1)c1ccccc1 C1CCC(C1)[*:1] C[C@H](CC(=O)N(CC#N)[*:1])c1ccccc1
C[C@H](CC(=O)N(CC#N)C1CCCC1)c1ccccc1 N#CC[*:1] C[C@H](CC(=O)N(C1CCCC1)[*:1])c1ccccc1
C[C@H](CC(=O)N(CC#N)C1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N(CC#N)C1CCCC1)[*:1]
O=C(CC[S@](=O)Cc1ncn(-c2ccccc2)n1)NC1CCCC1 c1ccc(cc1)[*:1] O=C(CC[S@](=O)Cc1ncn(n1)[*:1])NC1CCCC1
O=C(CC[S@](=O)Cc1ncn(-c2ccccc2)n1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CC[S@](=O)Cc1ncn(n1)-c1ccccc1)N[*:1]
O=C(CC[S@](=O)Cc1ncn(-c2ccccc2)n1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=[S@@](CC[*:1])Cc1ncn(n1)-c1ccccc1
Cc1nccn1-c1cc(N2CCC(C(=O)N3c4ccccc4C[C@H]3C)CC2)ncn1 Cc1nccn1[*:1] C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(CC1)c1cc(ncn1)[*:1]
CC(C)OCc1c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)oc2ccccc12 CC(C)O[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)c1oc2ccccc2c1C[*:1]
CC(C)OCc1c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)oc2ccccc12 CC(C)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)c1oc2ccccc2c1CO[*:1]
CC(C)OCc1c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)oc2ccccc12 CC(C)OC[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)c1oc2ccccc2c1[*:1]
CCOC(=O)C1=C(c2ccccc2)Nc2nnnn2[C@H]1c1cc(OC)ccc1OC COc1ccc(OC)c(c1)[*:1] CCOC(=O)C1=C(Nc2nnnn2[C@@H]1[*:1])c1ccccc1
CCOC(=O)C1=C(c2ccccc2)Nc2nnnn2[C@H]1c1cc(OC)ccc1OC CCOC(=O)[*:1] COc1ccc(OC)c(c1)[C@H]1C(=C(Nc2nnnn21)c1ccccc1)[*:1]
CCOC(=O)C1=C(c2ccccc2)Nc2nnnn2[C@H]1c1cc(OC)ccc1OC c1ccc(cc1)[*:1] CCOC(=O)C1=C(Nc2nnnn2[C@H]1c1cc(ccc1OC)OC)[*:1]
C[C@@H](OC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@@H](OC(=O)/C=C/c1cc2OCOc2cc1[N+](=O)[O-])[*:1]
C[C@@H](OC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1c(F)cccc1F O=[N+]([O-])[*:1] C[C@@H](OC(=O)/C=C/c1cc2OCOc2cc1[*:1])c1c(F)cccc1F
Cc1cccc(NC(=O)NCCC(=O)NC(C)C)c1Cl CC(C)[*:1] Cc1cccc(NC(=O)NCCC(=O)N[*:1])c1Cl
Cc1cccc(NC(=O)NCCC(=O)NC(C)C)c1Cl CC(C)NC(=O)[*:1] Cc1cccc(NC(=O)NCC[*:1])c1Cl
O=[N+]([O-])c1ccc(OC[C@@H]2Cc3ccccc3S2)cc1F O=[N+]([O-])[*:1] Fc1cc(ccc1[*:1])OC[C@@H]1Cc2ccccc2S1
CC(C)c1noc(OCC(=O)NNC(=O)C2CC2)n1 CC(C)[*:1] O=C(COc1nc(no1)[*:1])NNC(=O)C1CC1
CC(C)c1noc(OCC(=O)NNC(=O)C2CC2)n1 C1CC1[*:1] CC(C)c1noc(n1)OCC(=O)NNC(=O)[*:1]
Cn1ccnc1SCC(=O)NC(=O)NCc1ccccc1 Cn1ccnc1S[*:1] O=C(C[*:1])NC(=O)NCc1ccccc1
Cn1ccnc1SCC(=O)NC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cn1ccnc1SCC(=O)NC(=O)N[*:1]
Cn1ccnc1SCC(=O)NC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1SCC(=O)NC(=O)NC[*:1]
Cn1ccnc1SCC(=O)NC(=O)NCc1ccccc1 Cn1ccnc1[*:1] O=C(CS[*:1])NC(=O)NCc1ccccc1
O=C(NC1CCCCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ncccn3)C[C@@H]12 O=[N+]([O-])[*:1] O=C(NC1CCCCC1)[C@H]1Cc2cc(ccc2N2CCN(C[C@@H]12)c1ncccn1)[*:1]
O=C(NC1CCCCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ncccn3)C[C@@H]12 c1cnc(nc1)[*:1] O=C(NC1CCCCC1)[C@H]1Cc2cc(ccc2N2CCN(C[C@@H]12)[*:1])[N+](=O)[O-]
O=C(NC1CCCCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ncccn3)C[C@@H]12 O=C(NC1CCCCC1)[*:1] O=[N+]([O-])c1ccc2c(c1)C[C@@H]([C@@H]1CN(CCN21)c1ncccn1)[*:1]
O=C(NC1CCCCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ncccn3)C[C@@H]12 C1CCC(CC1)[*:1] O=C(N[*:1])[C@H]1Cc2cc(ccc2N2CCN(C[C@@H]12)c1ncccn1)[N+](=O)[O-]
O=C1CCc2cc([N+](=O)[O-])ccc2N1CCCCCS O=[N+]([O-])[*:1] O=C1CCc2cc(ccc2N1CCCCCS)[*:1]
O=C1CCc2cc([N+](=O)[O-])ccc2N1CCCCCS SCCCC[*:1] O=C1CCc2cc(ccc2N1C[*:1])[N+](=O)[O-]
O=C1CCc2cc([N+](=O)[O-])ccc2N1CCCCCS SCC[*:1] O=C1CCc2cc(ccc2N1CCC[*:1])[N+](=O)[O-]
O=C1CCc2cc([N+](=O)[O-])ccc2N1CCCCCS SCCCCC[*:1] O=C1CCc2cc(ccc2N1[*:1])[N+](=O)[O-]
O=C1CCc2cc([N+](=O)[O-])ccc2N1CCCCCS SCCC[*:1] O=C1CCc2cc(ccc2N1CC[*:1])[N+](=O)[O-]
CO[C@@H](CNCc1cn(C)nc1C(C)C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNCc1cn(C)nc1C(C)C)[*:1]
CO[C@@H](CNCc1cn(C)nc1C(C)C)c1ccc(F)cc1 CC(C)[*:1] CO[C@@H](CNCc1cn(C)nc1[*:1])c1ccc(F)cc1
COC(=O)CCSc1nncn1C1CC1 COC(=O)C[*:1] c1nnc(SC[*:1])n1C1CC1
COC(=O)CCSc1nncn1C1CC1 C1CC1[*:1] COC(=O)CCSc1nncn1[*:1]
COC(=O)CCSc1nncn1C1CC1 COC(=O)[*:1] c1nnc(SCC[*:1])n1C1CC1
C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(c1)[*:1]
C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H]([NH2+]Cc1cn(C)nc1[*:1])c1cccc(c1)C(F)(F)F
CCOC(=O)[C@@H]1CCCN(C(=O)c2oc3ccccc3c2C)C1 CCOC(=O)[*:1] Cc1c(oc2ccccc12)C(=O)N1CCC[C@H](C1)[*:1]
CCCc1nnc(NC(=O)c2ccc3c([O-])n(C)c(=S)nc3c2)s1 CCC[*:1] Cn1c([O-])c2ccc(cc2nc1=S)C(=O)Nc1nnc(s1)[*:1]
CCCc1nnc(NC(=O)c2ccc3c([O-])n(C)c(=S)nc3c2)s1 CCCc1nnc(s1)[*:1] Cn1c([O-])c2ccc(cc2nc1=S)C(=O)N[*:1]
COc1cc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc(OC)c1O c1cc2OCOc2cc1[*:1] COc1cc(cc(OC)c1O)C[NH+]1CCC(CC1)C(=O)N1CCN(CC1)C[*:1]
COc1cc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc(OC)c1O COc1cc(cc(OC)c1O)[*:1] O=C(C1CC[NH+](CC1)C[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
COc1cc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc(OC)c1O c1cc2OCOc2cc1C[*:1] COc1cc(cc(OC)c1O)C[NH+]1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
CCc1ccccc1NC(=O)c1cc(C)c(C#CCO)s1 OCC#C[*:1] CCc1ccccc1NC(=O)c1cc(C)c(s1)[*:1]
Cc1nc2cc(NC(=O)c3cc(-c4cnn(C)c4)no3)ccc2n1C1CCCCC1 C1CCC(CC1)[*:1] Cc1nc2cc(ccc2n1[*:1])NC(=O)c1cc(no1)-c1cnn(C)c1
Cc1nc2cc(NC(=O)c3cc(-c4cnn(C)c4)no3)ccc2n1C1CCCCC1 Cn1cc(cn1)[*:1] Cc1nc2cc(ccc2n1C1CCCCC1)NC(=O)c1cc(no1)[*:1]
CC(C)c1nc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c[nH]1 CC(C)[*:1] O=S(=O)(c1c[nH]c(n1)[*:1])N1CCC[C@H]1C[NH+]1CCCCC1
C[C@@H](CNC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)C[NH+]1CCCCC1 c1ccc2[nH]c(nc2c1)[*:1] C[C@@H](CNC(=O)N1CCC[C@H]1[*:1])C[NH+]1CCCCC1
O=C(Cc1cccnc1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] O=C(Cc1cccnc1)N1CCC(CC1)c1ccc(cc1)[*:1]
O=C(Cc1cccnc1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 c1cncc(c1)C[*:1] O=C(N1CCC(CC1)c1ccc(cc1)C(F)(F)F)[*:1]
O=C(Cc1cccnc1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 c1cncc(c1)[*:1] O=C(C[*:1])N1CCC(CC1)c1ccc(cc1)C(F)(F)F
CCNC(=O)c1ccccc1NC(=O)c1cccc(OC(C)C)c1 CCNC(=O)[*:1] CC(C)Oc1cccc(c1)C(=O)Nc1ccccc1[*:1]
CCNC(=O)c1ccccc1NC(=O)c1cccc(OC(C)C)c1 CC(C)O[*:1] CCNC(=O)c1ccccc1NC(=O)c1cccc(c1)[*:1]
CCNC(=O)c1ccccc1NC(=O)c1cccc(OC(C)C)c1 CC(C)[*:1] CCNC(=O)c1ccccc1NC(=O)c1cccc(c1)O[*:1]
C[NH+](C)[C@@H](CNCc1cccc2c1OCO2)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@@H](CNCc1cccc2OCOc12)[*:1]
Cc1sc2ncnc(NCCCCn3cnnc3)c2c1C c1nncn1[*:1] Cc1sc2ncnc(NCCCC[*:1])c2c1C
Cc1sc2ncnc(NCCCCn3cnnc3)c2c1C c1nncn1C[*:1] Cc1sc2ncnc(NCCC[*:1])c2c1C
Cc1sc2ncnc(NCCCCn3cnnc3)c2c1C c1nncn1CC[*:1] Cc1sc2ncnc(NCC[*:1])c2c1C
CC1([C@H](O)[C@H](C[NH3+])c2cccc(F)c2)CCCC1 CC1(CCCC1)[*:1] [NH3+]C[C@H](c1cccc(F)c1)[C@@H](O)[*:1]
COC(=O)C[C@H](NC(=O)Nc1cccnc1OC)c1cccs1 COC(=O)[*:1] COc1ncccc1NC(=O)N[C@@H](C[*:1])c1cccs1
COC(=O)C[C@H](NC(=O)Nc1cccnc1OC)c1cccs1 COC(=O)C[*:1] COc1ncccc1NC(=O)N[C@H](c1cccs1)[*:1]
COC(=O)C[C@H](NC(=O)Nc1cccnc1OC)c1cccs1 c1csc(c1)[*:1] COC(=O)C[C@H](NC(=O)Nc1cccnc1OC)[*:1]
CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C)c2C)C1 CCNC(=O)[*:1] Cc1cccc(NC(=O)C(=O)N2CC(C2)[*:1])c1C
COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(C)cc1)CCC2 COc1ccc(C)cc1[*:1] Cc1ccc(cc1)C(=O)N/N=C1\CCCc2oc(C(=O)N[*:1])c(C)c21
COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(C)cc1)CCC2 Cc1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
CCOC(=O)[C@H]1Oc2ccc([N+](=O)[O-])cc2[C@@]1(C)O O=[N+]([O-])[*:1] CCOC(=O)[C@H]1Oc2ccc(cc2[C@@]1(C)O)[*:1]
CCOC(=O)[C@H]1Oc2ccc([N+](=O)[O-])cc2[C@@]1(C)O CCOC(=O)[*:1] C[C@@]1(O)c2cc(ccc2O[C@@H]1[*:1])[N+](=O)[O-]
Cc1cc(NC(=O)NC[C@@H](O)C2CCCC2)c2ncccc2c1 C1CCC(C1)[*:1] Cc1cc(NC(=O)NC[C@@H](O)[*:1])c2ncccc2c1
COC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H](Sc2ncccn2)C1 c1cnc(nc1)S[*:1] COC(=O)[C@]1(CCC[C@H](C1)[*:1])[NH2+]C1CC1
COC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H](Sc2ncccn2)C1 c1cnc(nc1)[*:1] COC(=O)[C@]1(CCC[C@@H](C1)S[*:1])[NH2+]C1CC1
COC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H](Sc2ncccn2)C1 COC(=O)[*:1] c1cnc(nc1)S[C@H]1CCC[C@@](C1)([NH2+]C1CC1)[*:1]
COC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H](Sc2ncccn2)C1 C1CC1[*:1] COC(=O)[C@]1(CCC[C@@H](C1)Sc1ncccn1)[NH2+][*:1]
CC[NH+]1CCc2c(sc(NC(=O)c3cc4cccc(OC)c4o3)c2C(=O)OC)C1 COC(=O)[*:1] CC[NH+]1CCc2c(C1)sc(NC(=O)c1cc3cccc(OC)c3o1)c2[*:1]
CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 CC(C)NC(=O)[*:1] N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 N#Cc1ccccc1[*:1] CC(C)NC(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 CC(C)[*:1] N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(cc1)C(=O)N[*:1]
N[C@@H](CC1CCCCC1)C(F)(F)F FC(F)(F)[*:1] N[C@@H](CC1CCCCC1)[*:1]
CC(C)(C)NC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 CC(C)(C)[*:1] O=C(CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2OCCOc2c1)N[*:1]
CC(C)(C)NC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 CC(C)(C)NC(=O)C[*:1] O=C(N[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc2OCCOc2c1
CC(C)(C)NC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 CC(C)(C)NC(=O)[*:1] O=C(NC[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc2OCCOc2c1
CCOc1cc(C)ccc1NC(=O)N1CCN(C(=O)C2CCCCC2)CC1 CCO[*:1] Cc1ccc(NC(=O)N2CCN(CC2)C(=O)C2CCCCC2)c(c1)[*:1]
CCOc1cc(C)ccc1NC(=O)N1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] CCOc1cc(C)ccc1NC(=O)N1CCN(CC1)C(=O)[*:1]
O=C(CCSc1nncn1-c1ccccc1)N[C@@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(CCSc1nncn1[*:1])N[C@@H]1CCCc2ccccc21
CCC/C(C)=N\NC1=N[C@H]2[NH+]=c3c(C)cccc3=C2N=[NH+]1 CCC[*:1] CC(=NNC1=N[C@H]2[NH+]=c3c(C)cccc3=C2N=[NH+]1)[*:1]
NN1C(SCC(=O)Nc2cccc(Cl)c2)=NN[C@H]1[C@H]1N=NC2=C1CCC2 Clc1cccc(c1)[*:1] NN1C(=NN[C@H]1[C@H]1N=NC2CCCC=21)SCC(=O)N[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CCO[C@H](c3ccccc3F)C2)C1 Fc1ccccc1[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H](C)N1CCO[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CCO[C@H](c3ccccc3F)C2)C1 CCOC(=O)[*:1] C[C@H](C(=O)N1CCC[C@H](C1)[*:1])N1CCO[C@@H](C1)c1ccccc1F
COc1cccc(CNC(=O)[C@H](C)Sc2nc(C)nc3ccccc23)c1 COc1cccc(c1)[*:1] Cc1nc(S[C@@H](C)C(=O)NC[*:1])c2ccccc2n1
CCOc1cc(CNC(=O)[C@@H]2CC=CCC2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])CNC(=O)[C@@H]1CC=CCC1
CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)[*:1]
CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1c(C)nn(C)c1C Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)C(=O)N[*:1])c1c(C)nn(C)c1C
Cc1nc(S[C@H](C(=O)NCCc2c[nH]c3ccccc23)C(C)C)oc1C Cc1nc(oc1C)[*:1] CC(C)[C@H](S[*:1])C(=O)NCCc1c[nH]c2ccccc12
Cc1nc(S[C@H](C(=O)NCCc2c[nH]c3ccccc23)C(C)C)oc1C Cc1nc(oc1C)S[*:1] CC(C)[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[*:1]
Cc1nc(S[C@H](C(=O)NCCc2c[nH]c3ccccc23)C(C)C)oc1C CC(C)[*:1] Cc1nc(oc1C)S[C@H](C(=O)NCCc1c[nH]c2ccccc12)[*:1]
C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1nccs1 c1csc(n1)[*:1] C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
Cc1sc2ncnc(N3CCC(C(=O)Nc4nn5cnnc5s4)CC3)c2c1C c1nnc2sc(nn12)[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)C(=O)N[*:1]
Cc1cccc(N2CCN(C(=O)c3noc4c3COc3ccccc3-4)C[C@H]2C)c1 Cc1cccc(c1)[*:1] C[C@@H]1CN(CCN1[*:1])C(=O)c1noc2-c3ccccc3OCc12
Cc1cccc([C@H]2CCCN2C(=O)c2cnc3ccc(C)cn3c2=O)c1 Cc1cccc(c1)[*:1] Cc1ccc2ncc(C(=O)N3CCC[C@@H]3[*:1])c(=O)n2c1
O=C(/C=C/c1ccc(Br)o1)Nc1ccc(-c2cn3cccnc3n2)cc1 Brc1ccc(o1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)-c1cn2cccnc2n1
O=C(/C=C/c1ccc(Br)o1)Nc1ccc(-c2cn3cccnc3n2)cc1 Brc1ccc(C=C[*:1])o1 O=C(Nc1ccc(cc1)-c1cn2cccnc2n1)[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 O=C1CCCN1[*:1] C[C@H]1CN(C[C@@H](C)O1)C(C)(C)CNC(=O)c1ccc(cc1)[*:1]
COc1ccc(CC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)CC(=O)Nc1nc2ccc(cc2s1)[*:1]
C[C@H](OC(=O)[C@H]1C[C@H]1C)c1ccc(Cl)s1 C[C@@H]1C[C@@H]1[*:1] C[C@H](OC(=O)[*:1])c1ccc(Cl)s1
CCC(C)(C)[C@H](Cl)Cc1ccc2ccccc2n1 CCC(C)(C)[*:1] Cl[C@H](Cc1ccc2ccccc2n1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(SC(F)F)nc3ccccc32)C1 CCOC(=O)[*:1] O=C(Cn1c(nc2ccccc21)SC(F)F)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(SC(F)F)nc3ccccc32)C1 FC(F)S[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)Cn1c(nc2ccccc21)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(SC(F)F)nc3ccccc32)C1 FC(F)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)Cn1c(nc2ccccc21)S[*:1]
N#C/C(C(=O)N1CCCCC1)=C(\[O-])c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] N#C/C(C(=O)N1CCCCC1)=C(\[O-])c1ccc(cc1)O[*:1]
N#C/C(C(=O)N1CCCCC1)=C(\[O-])c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] N#C/C(C(=O)N1CCCCC1)=C(\[O-])c1ccc(cc1)[*:1]
N#C/C(C(=O)N1CCCCC1)=C(\[O-])c1ccc(OC(F)(F)F)cc1 O=C(N1CCCCC1)[*:1] N#CC(=C([O-])c1ccc(cc1)OC(F)(F)F)[*:1]
O=C(Nc1cccc(F)c1F)N[C@H]1CCN(c2ccccc2)C1=O Fc1cccc(c1F)[*:1] O=C(N[C@H]1CCN(C1=O)c1ccccc1)N[*:1]
O=C(Nc1cccc(F)c1F)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1F)N[C@H]1CCN(C1=O)[*:1]
O=C(c1cc([N+](=O)[O-])ccc1Cl)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 c1ccc(C[*:1])nc1 O=C(c1cc(ccc1Cl)[N+](=O)[O-])N(c1nc2ccc(F)cc2s1)[*:1]
O=C(c1cc([N+](=O)[O-])ccc1Cl)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 c1ccc(nc1)[*:1] O=C(c1cc(ccc1Cl)[N+](=O)[O-])N(C[*:1])c1nc2ccc(F)cc2s1
O=C(c1cc([N+](=O)[O-])ccc1Cl)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 O=[N+]([O-])[*:1] O=C(c1cc(ccc1Cl)[*:1])N(Cc1ccccn1)c1nc2ccc(F)cc2s1
O=C(c1cc([N+](=O)[O-])ccc1Cl)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 Fc1ccc2nc(sc2c1)[*:1] O=C(c1cc(ccc1Cl)[N+](=O)[O-])N(Cc1ccccn1)[*:1]
O=C(c1cc([N+](=O)[O-])ccc1Cl)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 O=[N+]([O-])c1ccc(Cl)c(c1)[*:1] O=C(N(Cc1ccccn1)c1nc2ccc(F)cc2s1)[*:1]
C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1ccc(F)cc1)C(=O)NC[*:1]
C[C@H]1COC[C@@H](C)N1CCC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1COC[C@@H](C)N1CCC(=O)O[*:1]
C=C(C)Cn1nc(C)nc1-c1ccccc1I C=C(C)C[*:1] Cc1nc(-c2ccccc2I)n(n1)[*:1]
C=C(C)Cn1nc(C)nc1-c1ccccc1I C=C(C)[*:1] Cc1nc(-c2ccccc2I)n(C[*:1])n1
COc1ccsc1C(=O)N1CCc2c(cccc2N2CCOC2=O)C1 O=C1OCCN1[*:1] COc1ccsc1C(=O)N1CCc2c(cccc2[*:1])C1
COc1ccsc1C(=O)N1CCc2c(cccc2N2CCOC2=O)C1 COc1ccsc1[*:1] O=C1OCCN1c1cccc2CN(CCc21)C(=O)[*:1]
COc1ccccc1N1CC[C@H](Nc2ccccc2S(C)(=O)=O)C1 COc1ccccc1[*:1] CS(=O)(=O)c1ccccc1N[C@H]1CCN(C1)[*:1]
COc1ccccc1N1CC[C@H](Nc2ccccc2S(C)(=O)=O)C1 CS(=O)(=O)[*:1] COc1ccccc1N1CC[C@@H](C1)Nc1ccccc1[*:1]
O=C([O-])C[C@H]1S/C(=N\c2ccccc2)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O c1ccc(cc1)[*:1] O=C([O-])C[C@H]1SC(=N[*:1])N(NC(=O)c2ccc(cc2)[N+](=O)[O-])C1=O
O=C([O-])C[C@H]1S/C(=N\c2ccccc2)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O O=C([O-])C[*:1] O=C(NN1C(=O)[C@H](S/C1=N\c1ccccc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C([O-])C[C@H]1S/C(=N\c2ccccc2)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])c1ccc(cc1)[*:1] O=C([O-])C[C@H]1S/C(=N\c2ccccc2)N(NC(=O)[*:1])C1=O
O=C([O-])C[C@H]1S/C(=N\c2ccccc2)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O O=C([O-])[*:1] O=C(NN1C(=O)[C@@H](C[*:1])S/C1=N\c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
O=C([O-])C[C@H]1S/C(=N\c2ccccc2)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] O=C([O-])C[C@H]1S/C(=N\c2ccccc2)N(NC(=O)c2ccc(cc2)[*:1])C1=O
CCn1nc(C)c(CN2CCC[NH+](Cc3c(C)nn(CC)c3C)CC2)c1C CCn1nc(C)c(c1C)[*:1] CCn1nc(C)c(CN2CCC[NH+](CC2)C[*:1])c1C
CCn1nc(C)c(CN2CCC[NH+](Cc3c(C)nn(CC)c3C)CC2)c1C CCn1nc(C)c(c1C)[*:1] CCn1nc(C)c(C[NH+]2CCCN(CC2)C[*:1])c1C
CC(C)(C)NC(=O)[C@@H]1CC(=O)O[C@]12CCOC(C)(C)C2 CC(C)(C)[*:1] CC1(C)C[C@]2(CCO1)OC(=O)C[C@H]2C(=O)N[*:1]
CC(C)Cn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2Cl)c1=O Clc1ccccc1C[*:1] CC(C)Cn1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
CC(C)Cn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2Cl)c1=O CC(C)[*:1] O=C(Cn1c(=O)n(C[*:1])c(=O)c2sccc21)NCc1ccccc1Cl
CC(C)Cn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2Cl)c1=O CC(C)C[*:1] O=C(Cn1c(=O)n(c(=O)c2sccc21)[*:1])NCc1ccccc1Cl
CC(C)Cn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2Cl)c1=O Clc1ccccc1[*:1] CC(C)Cn1c(=O)c2sccc2n(CC(=O)NC[*:1])c1=O
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)C2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(CN(C1CCCCC1)S(=O)(=O)[*:1])Nc1cccc(F)c1
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)C2CCCCC2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[*:1])C1CCCCC1
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)C2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N[C@@H]2c2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)C1=C([O-])C(=O)N[C@H]1[*:1]
O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)OC[*:1]
O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)-c1nc(no1)[*:1])N1CCCCC1
O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCCCC1 O=C(C[*:1])N1CCCCC1 c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)O[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])[C@@H]1CCCN(C1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCC[C@@H](C1)[*:1]
CCc1nn(C)cc1CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O CS(=O)(=O)N[*:1] CCc1nn(C)cc1CNC(=O)N1CCCC[C@@H]1CC[*:1]
CCc1nn(C)cc1CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O CCc1nn(C)cc1[*:1] CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O CS(=O)(=O)NC[*:1] CCc1nn(C)cc1CNC(=O)N1CCCC[C@@H]1C[*:1]
CCc1nn(C)cc1CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O CS(=O)(=O)NCC[*:1] CCc1nn(C)cc1CNC(=O)N1CCCC[C@H]1[*:1]
COc1ccccc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2)c(C#N)c1C Fc1ccc(cc1)[*:1] COc1ccccc1NC(=O)c1sc(NC(=O)[*:1])c(C#N)c1C
COc1ccccc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2)c(C#N)c1C COc1ccccc1[*:1] Cc1c(sc(NC(=O)c2ccc(F)cc2)c1C#N)C(=O)N[*:1]
O=C(c1cccn2ccnc12)N1CCCN(c2cccnn2)CC1 c1cnnc(c1)[*:1] O=C(c1cccn2ccnc12)N1CCCN(CC1)[*:1]
O=S(=O)(Cc1ccccc1F)c1ccc2c(c1)S(=O)(=O)N=CN2 Fc1ccccc1[*:1] O=S(=O)(C[*:1])c1ccc2NC=NS(=O)(=O)c2c1
CCC(CC)[C@@H](CCC(F)(F)F)[NH2+]C FC(F)(F)[*:1] CCC(CC)[C@@H](CC[*:1])[NH2+]C
C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3F)cn2)CC1 Fc1cc(Cl)ccc1[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)[*:1]
CC(C)CC1(CNC(=O)c2ccccc2S(C)(=O)=O)CCCC1 CC(C)[*:1] CS(=O)(=O)c1ccccc1C(=O)NCC1(CCCC1)C[*:1]
CC(C)CC1(CNC(=O)c2ccccc2S(C)(=O)=O)CCCC1 CC(C)C[*:1] CS(=O)(=O)c1ccccc1C(=O)NCC1(CCCC1)[*:1]
CC(C)CC1(CNC(=O)c2ccccc2S(C)(=O)=O)CCCC1 CS(=O)(=O)[*:1] CC(C)CC1(CCCC1)CNC(=O)c1ccccc1[*:1]
CC(C)C[C@]1(C)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O CC(C)C[*:1] C[C@@]1(NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O)[*:1]
CC(C)C[C@]1(C)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O Clc1ccc(s1)[*:1] CC(C)C[C@]1(C)NC(=O)N(CC(=O)[*:1])C1=O
CC(C)C[C@]1(C)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O CC(C)[*:1] C[C@@]1(C[*:1])NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)NC1CC1 O=C(NC1CC1)N[*:1] O=C(c1cccnc1)N1CCc2cc(ccc21)[*:1]
O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)NC1CC1 C1CC1[*:1] O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)N[*:1]
O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)NC1CC1 c1cncc(c1)[*:1] O=C(Nc1ccc2c(c1)CCN2C(=O)[*:1])NC1CC1
CC(C)CCCCNC(=O)NNC(=O)c1cn(C)c2ccccc12 CC(C)CCC[*:1] Cn1cc(C(=O)NNC(=O)NC[*:1])c2ccccc21
CC(C)CCCCNC(=O)NNC(=O)c1cn(C)c2ccccc12 CC(C)C[*:1] Cn1cc(C(=O)NNC(=O)NCCC[*:1])c2ccccc21
CC(C)CCCCNC(=O)NNC(=O)c1cn(C)c2ccccc12 CC(C)CC[*:1] Cn1cc(C(=O)NNC(=O)NCC[*:1])c2ccccc21
CC(C)CCCCNC(=O)NNC(=O)c1cn(C)c2ccccc12 CC(C)[*:1] Cn1cc(C(=O)NNC(=O)NCCCC[*:1])c2ccccc21
CC(C)CCCCNC(=O)NNC(=O)c1cn(C)c2ccccc12 CC(C)CCCC[*:1] Cn1cc(C(=O)NNC(=O)N[*:1])c2ccccc21
CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CCN(CC(=O)Nc1cccc(c1)OC)C(=O)[*:1]
Cn1nccc1CNC(=O)NCCS(=O)(=O)N1CCc2ccccc21 Cn1nccc1[*:1] O=C(NCCS(=O)(=O)N1CCc2ccccc21)NC[*:1]
Cn1nccc1CNC(=O)NCCS(=O)(=O)N1CCc2ccccc21 Cn1nccc1C[*:1] O=C(NCCS(=O)(=O)N1CCc2ccccc21)N[*:1]
CS(=O)(=O)C[C@H](Nc1nc(C2CC2)ns1)c1ccccc1 C1CC1[*:1] CS(=O)(=O)C[C@H](Nc1nc(ns1)[*:1])c1ccccc1
CS(=O)(=O)C[C@H](Nc1nc(C2CC2)ns1)c1ccccc1 CS(=O)(=O)[*:1] c1ccc(cc1)[C@H](C[*:1])Nc1nc(ns1)C1CC1
CS(=O)(=O)C[C@H](Nc1nc(C2CC2)ns1)c1ccccc1 CS(=O)(=O)C[*:1] c1ccc(cc1)[C@@H](Nc1nc(ns1)C1CC1)[*:1]
CS(=O)(=O)C[C@H](Nc1nc(C2CC2)ns1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)C[C@H](Nc1nc(ns1)C1CC1)[*:1]
CC[NH2+]Cc1ccc(OC(F)F)c(OCC)c1 CCO[*:1] CC[NH2+]Cc1ccc(OC(F)F)c(c1)[*:1]
CC[NH2+]Cc1ccc(OC(F)F)c(OCC)c1 FC(F)O[*:1] CC[NH2+]Cc1ccc(c(c1)OCC)[*:1]
CC[NH2+]Cc1ccc(OC(F)F)c(OCC)c1 FC(F)[*:1] CC[NH2+]Cc1ccc(O[*:1])c(c1)OCC
CC[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCCC1 C1CCC(CC1)[*:1] CC[C@@H]([NH2+]C[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
CCC(CC)CC(=O)N[C@H]1C=CS(=O)(=O)C1 CCC(CC)[*:1] O=C(C[*:1])N[C@H]1C=CS(=O)(=O)C1
COC(=O)c1ccc(COc2cc([N+](=O)[O-])ccc2OC)o1 O=[N+]([O-])[*:1] COC(=O)c1ccc(COc2cc(ccc2OC)[*:1])o1
COC(=O)c1ccc(COc2cc([N+](=O)[O-])ccc2OC)o1 COC(=O)[*:1] COc1ccc(cc1OCc1ccc(o1)[*:1])[N+](=O)[O-]
Cc1ccc(-n2nnc3c(N4CCN(C(=O)COc5ccc6ccccc6c5)CC4)ncnc32)cc1 c1ccc2cc(ccc2c1)[*:1] Cc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)CO[*:1]
Cc1ccc(-n2nnc3c(N4CCN(C(=O)COc5ccc6ccccc6c5)CC4)ncnc32)cc1 c1ccc2cc(ccc2c1)OC[*:1] Cc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(-n2nnc3c(N4CCN(C(=O)COc5ccc6ccccc6c5)CC4)ncnc32)cc1 c1ccc2cc(ccc2c1)O[*:1] Cc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(-n2nnc3c(N4CCN(C(=O)COc5ccc6ccccc6c5)CC4)ncnc32)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc2ccccc2c1)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
CC[NH2+][C@H](CC(C)C)c1ccc(Cl)c(OC)c1 CC(C)C[*:1] CC[NH2+][C@H](c1ccc(Cl)c(c1)OC)[*:1]
CC[NH2+][C@H](CC(C)C)c1ccc(Cl)c(OC)c1 CC(C)[*:1] CC[NH2+][C@H](C[*:1])c1ccc(Cl)c(c1)OC
Cc1cc(NC2CCN(C(=O)CC(C)C)CC2)c(Cl)cc1[N+](=O)[O-] CC(C)C[*:1] Cc1cc(NC2CCN(CC2)C(=O)[*:1])c(Cl)cc1[N+](=O)[O-]
Cc1cc(NC2CCN(C(=O)CC(C)C)CC2)c(Cl)cc1[N+](=O)[O-] CC(C)[*:1] Cc1cc(NC2CCN(CC2)C(=O)C[*:1])c(Cl)cc1[N+](=O)[O-]
Cc1cc(NC2CCN(C(=O)CC(C)C)CC2)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(NC2CCN(CC2)C(=O)CC(C)C)c(Cl)cc1[*:1]
C[NH+]1CCC(c2cccc(Cc3ccccc3)n2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)c1cccc(C[*:1])n1
C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccccc1Cl)S(C)(=O)=O Clc1ccccc1[*:1] C[C@H]1Cc2ccccc2N1C(=O)CN(S(C)(=O)=O)[*:1]
O=C(c1ccc2c(c1)OCCO2)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(c1ccc2OCCOc2c1)N(C[C@@H]1CCCO1)[*:1]
CN(c1ccccc1F)S(=O)(=O)c1ccc(CCCCl)cc1 Fc1ccccc1[*:1] CN(S(=O)(=O)c1ccc(cc1)CCCCl)[*:1]
CN(c1ccccc1F)S(=O)(=O)c1ccc(CCCCl)cc1 ClCC[*:1] CN(c1ccccc1F)S(=O)(=O)c1ccc(cc1)C[*:1]
CN(c1ccccc1F)S(=O)(=O)c1ccc(CCCCl)cc1 ClCCC[*:1] CN(c1ccccc1F)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(-c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nn1 COc1ccc(nn1)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc2OCCOc2c1
CC[C@@H](NC(=O)N(C)Cc1nccs1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)N(C)Cc1nccs1)[*:1]
CC[C@@H](NC(=O)N(C)Cc1nccs1)c1cccc(Cl)c1 c1csc(n1)[*:1] CC[C@@H](NC(=O)N(C)C[*:1])c1cccc(Cl)c1
CC[C@@H](NC(=O)N(C)Cc1nccs1)c1cccc(Cl)c1 c1csc(C[*:1])n1 CC[C@@H](NC(=O)N(C)[*:1])c1cccc(Cl)c1
COc1ccc(NC(=O)c2ccc(NC(=O)CC#N)cc2)cc1Cl N#CCC(=O)N[*:1] COc1ccc(cc1Cl)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)c2ccc(NC(=O)CC#N)cc2)cc1Cl N#CC[*:1] COc1ccc(cc1Cl)NC(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(NCCNC(=O)C1CC1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 O=C(NC[*:1])C1CC1 O=C(NC[*:1])N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1
O=C(NCCNC(=O)C1CC1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCCNC(=O)C1CC1)N[C@@H]1CCO[C@H]1[*:1]
O=C(NCCNC(=O)C1CC1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 O=C(N[*:1])C1CC1 O=C(NCC[*:1])N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1
O=C(NCCNC(=O)C1CC1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 C1CC1[*:1] O=C(NCCNC(=O)[*:1])N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1
O=C(NCCNC(=O)C1CC1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 O=C(NCC[*:1])C1CC1 O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 O=S(=O)(N1CCCCC1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 CC(=O)N[*:1] O=S(=O)(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccc(cc1)[*:1]
CC[C@@H](NC(=O)N1CCC[C@H](Cn2ccnn2)C1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)N1CCC[C@@H](C1)Cn1ccnn1)[*:1]
CC[C@@H](NC(=O)N1CCC[C@H](Cn2ccnn2)C1)c1ccc(C)c(F)c1 c1cn(C[*:1])nn1 CC[C@@H](NC(=O)N1CCC[C@H](C1)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)N1CCC[C@H](Cn2ccnn2)C1)c1ccc(C)c(F)c1 c1cn(nn1)[*:1] CC[C@@H](NC(=O)N1CCC[C@@H](C1)C[*:1])c1ccc(C)c(F)c1
CC1CCN(C(=O)c2ccc(N(C)Cc3cnn(C)c3)nc2)CC1 Cn1cc(cn1)[*:1] CC1CCN(CC1)C(=O)c1ccc(nc1)N(C)C[*:1]
CC1CCN(C(=O)c2ccc(N(C)Cc3cnn(C)c3)nc2)CC1 Cn1cc(cn1)C[*:1] CC1CCN(CC1)C(=O)c1ccc(nc1)N(C)[*:1]
O=C(COc1cccc2ccccc12)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1cccc2ccccc12)N[*:1]
O=C1NCCCC[C@H]1NC(=O)N1CCC[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C1NCCCC[C@H]1NC(=O)N1CCC[C@@H]1[*:1]
Cc1nc(CN(C)C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C)cs1 Cc1nc(cs1)C[*:1] Cc1c(cnn1-c1nccc(n1)-c1ccco1)C(=O)N(C)[*:1]
Cc1nc(CN(C)C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C)cs1 Cc1nc(cs1)[*:1] Cc1c(cnn1-c1nccc(n1)-c1ccco1)C(=O)N(C)C[*:1]
Cc1nc(CN(C)C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C)cs1 c1coc(c1)[*:1] Cc1nc(cs1)CN(C)C(=O)c1cnn(-c2nccc(n2)[*:1])c1C
COC(=O)CC[C@@H]([NH3+])Cc1cc(Cl)cs1 COC(=O)C[*:1] [NH3+][C@@H](Cc1cc(Cl)cs1)C[*:1]
COC(=O)CC[C@@H]([NH3+])Cc1cc(Cl)cs1 COC(=O)[*:1] [NH3+][C@H](CC[*:1])Cc1cc(Cl)cs1
O=C([O-])c1ccc(-n2nc(Cl)ccc2=O)cc1 O=C([O-])[*:1] O=c1ccc(Cl)nn1-c1ccc(cc1)[*:1]
COc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C[*:1])N1CC[C@H](C1)c1cc(=O)[nH]c(n1)N1CCOCC1
COc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1OC C1CN(CCO1)[*:1] COc1ccc(cc1OC)CC(=O)N1CC[C@H](C1)c1cc(=O)[nH]c(n1)[*:1]
COc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc(OC)c1OC c1ccc2sc(nc2c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1sc2CN(C)CCc2c1[*:1]
NS(=O)(=O)c1cc(Cl)c(Br)cc1F NS(=O)(=O)[*:1] Fc1cc(Br)c(Cl)cc1[*:1]
Cc1nc(C(C)(C)[NH2+]CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)sc1C Cc1nc(sc1C)[*:1] C[C@H]1[C@H](C)CCC[C@H]1NC(=O)C[NH2+]C(C)(C)[*:1]
CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N(CC)CC CCN(CC)S(=O)(=O)[*:1] CCc1ccc(cc1[*:1])-c1n[nH]c(=O)c2CCCCc12
CN(C(=O)[C@H]([NH3+])c1ccccc1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)[C@H]([NH3+])c1ccccc1)[*:1]
CN(C(=O)[C@H]([NH3+])c1ccccc1)C1CCOCC1 c1ccc(cc1)[*:1] CN(C(=O)[C@H]([NH3+])[*:1])C1CCOCC1
Cc1cc(OC(F)F)c(C(=O)Nc2ccn(CC[NH+](C)C)n2)s1 FC(F)[*:1] Cc1cc(O[*:1])c(s1)C(=O)Nc1ccn(CC[NH+](C)C)n1
Cc1cc(OC(F)F)c(C(=O)Nc2ccn(CC[NH+](C)C)n2)s1 FC(F)O[*:1] Cc1cc(c(s1)C(=O)Nc1ccn(CC[NH+](C)C)n1)[*:1]
CC(=O)N(C)c1ccccc1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CC(=O)N(C)c1ccccc1NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CC(=O)N(C)c1ccccc1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CC(=O)N(C)c1ccccc1NC(=O)Cc1ccc(cc1)[*:1]
CC(=O)N(C)c1ccccc1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 CC(=O)N(C)[*:1] O=C(Cc1ccc(cc1)NC(=O)C1CC1)Nc1ccccc1[*:1]
CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1F CC(C)(C)[*:1] CN(CCN(C)C(=O)O[*:1])C(=O)Nc1cc(F)ccc1F
CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CN(CCN(C)C(=O)OC(C)(C)C)C(=O)N[*:1]
COc1ccc(-c2noc(N3CCC(C(=O)N4CCN(c5cccc[nH+]5)CC4)CC3)n2)cc1 COc1ccc(cc1)[*:1] O=C(C1CCN(CC1)c1nc(no1)[*:1])N1CCN(CC1)c1cccc[nH+]1
COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc2c(C(=O)O[C@H]2Nc2ccc(F)c(c2)[*:1])c1OC
CCOC(=O)C1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)nc3)n2)CC1 Cc1ccc(cn1)[*:1] CCOC(=O)C1CCN(CC1)c1ncc(-c2cc(C)no2)c(n1)[*:1]
CCOC(=O)C1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)nc3)n2)CC1 Cc1cc(on1)[*:1] CCOC(=O)C1CCN(CC1)c1ncc(c(n1)-c1ccc(C)nc1)[*:1]
CCOC(=O)C1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)nc3)n2)CC1 CCOC(=O)[*:1] Cc1ccc(cn1)-c1nc(ncc1-c1cc(C)no1)N1CCC(CC1)[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)N(C)Cc2ccccc2F)CC1=O Fc1ccccc1C[*:1] C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)N(C)[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)N(C)Cc2ccccc2F)CC1=O Fc1ccccc1[*:1] C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)N(C)C[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)N(C)Cc2ccccc2F)CC1=O c1ccc(cc1)[*:1] C[C@@H](N1C[C@@H](CC1=O)C(=O)N(C)Cc1ccccc1F)[*:1]
C[C@@H](c1ccccc1)N1C[C@H](C(=O)N(C)Cc2ccccc2F)CC1=O C[C@@H](c1ccccc1)[*:1] CN(Cc1ccccc1F)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1cc(C(=O)CCC(=O)[O-])cc(OC)c1OC O=C([O-])C[*:1] COc1cc(cc(OC)c1OC)C(=O)C[*:1]
COc1cc(C(=O)CCC(=O)[O-])cc(OC)c1OC O=C([O-])[*:1] COc1cc(cc(OC)c1OC)C(=O)CC[*:1]
COc1cc(C(=O)CCC(=O)[O-])cc(OC)c1OC O=C([O-])CC[*:1] COc1cc(cc(OC)c1OC)C(=O)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1cc(-c2ccco2)[nH]n1 C1CC1[*:1] C[C@@H](N(C)C(=O)c1cc([nH]n1)-c1ccco1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1cc(-c2ccco2)[nH]n1 c1coc(c1)[*:1] C[C@@H](C1CC1)N(C)C(=O)c1cc([nH]n1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1cc(-c2ccco2)[nH]n1 C[C@@H](C1CC1)[*:1] CN(C(=O)c1cc([nH]n1)-c1ccco1)[*:1]
Cc1nc2ncnn2c(NC[C@@H]2CCO[C@H]2c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1nc2ncnn2c(NC[C@@H]2CCO[C@@H]2[*:1])c1C
COc1ccc(N2C[C@H](NC(=O)N(C)Cc3ccccc3)CC2=O)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)N1C[C@@H](CC1=O)NC(=O)N(C)[*:1]
COc1ccc(N2C[C@H](NC(=O)N(C)Cc3ccccc3)CC2=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)N1C[C@@H](CC1=O)NC(=O)N(C)C[*:1]
CC[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] CC[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)[*:1]
CC[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)O[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1ccc(Cl)c(F)c1 CSC[*:1] CC[C@H](N(C)C(=O)Nc1ccc(Cl)c(F)c1)[*:1]
N#Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] O=C1[C@@H]2ON(c3ccccc3)[C@@H]([C@H]2C(=O)N1c1ccccc1Cl)[*:1]
N#Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 Clc1ccccc1[*:1] N#Cc1ccc(cc1)[C@@H]1[C@H]2C(=O)N(C(=O)[C@@H]2ON1c1ccccc1)[*:1]
N#Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)[C@@H]1[C@H]2C(=O)N(C(=O)[C@@H]2ON1[*:1])c1ccccc1Cl
C[C@H](CNC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H](CNC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
C[C@H](CNC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(F)cc1F C1CO[C@@H](C1)[*:1] C[C@H](CNC(=O)c1cnc(s1)[*:1])c1ccc(F)cc1F
CC(=O)c1ccc(N2CCN(C(=O)COC(=O)[C@@H]3C[C@@H]3C)CC2)cc1 CC(=O)[*:1] C[C@H]1C[C@H]1C(=O)OCC(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
COc1ccccc1-n1cnnc1[S@](=O)Cc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 COc1ccccc1-n1cnnc1[S@](=O)[*:1]
COc1ccccc1-n1cnnc1[S@](=O)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] COc1ccccc1-n1cnnc1[S@](=O)C[*:1]
CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1cccc(C2CC2)c1 CCC[C@@H](C)[*:1] CN([C@@H](C[NH3+])c1cccc(c1)C1CC1)[*:1]
CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1cccc(C2CC2)c1 CCC[*:1] C[C@@H](N(C)[C@@H](C[NH3+])c1cccc(c1)C1CC1)[*:1]
CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1cccc(C2CC2)c1 C1CC1[*:1] CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1cccc(c1)[*:1]
N#Cc1ccc(NC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])C(=O)N1CCC(CC1)N1CCCC1=O
N#Cc1ccc(NC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)cc1 O=C1CCCN1[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)N1CCC(CC1)[*:1]
Cc1cccc(-c2cc(C[C@]3(C(=O)[O-])CCCN(C(=O)C(C)C)C3)on2)c1 Cc1cccc(c1)[*:1] CC(C)C(=O)N1CCC[C@@](Cc2cc(no2)[*:1])(C1)C(=O)[O-]
Cc1cccc(-c2cc(C[C@]3(C(=O)[O-])CCCN(C(=O)C(C)C)C3)on2)c1 CC(C)[*:1] Cc1cccc(c1)-c1cc(C[C@@]2(CCCN(C2)C(=O)[*:1])C(=O)[O-])on1
Cc1cccc(-c2cc(C[C@]3(C(=O)[O-])CCCN(C(=O)C(C)C)C3)on2)c1 O=C([O-])[*:1] Cc1cccc(c1)-c1cc(C[C@@]2(CCCN(C2)C(=O)C(C)C)[*:1])on1
CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(C#N)cs3)cc2)CC1 N#Cc1csc(c1)[*:1] CC[NH+]1CCN(CC1)Cc1ccc(cc1)NC(=O)[*:1]
CC(C)[NH2+]C[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 CC(C)[*:1] Clc1ccc(cc1)[C@@H]1OCCC[C@H]1C[NH2+][*:1]
C[C@H](Sc1nnc(Nc2ccc(SC(F)F)cc2)s1)C(=O)N1CCCCC1 FC(F)S[*:1] C[C@H](Sc1nnc(Nc2ccc(cc2)[*:1])s1)C(=O)N1CCCCC1
C[C@H](Sc1nnc(Nc2ccc(SC(F)F)cc2)s1)C(=O)N1CCCCC1 FC(F)[*:1] C[C@H](Sc1nnc(Nc2ccc(cc2)S[*:1])s1)C(=O)N1CCCCC1
C[C@H](Sc1nnc(Nc2ccc(SC(F)F)cc2)s1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H](Sc1nnc(Nc2ccc(cc2)SC(F)F)s1)[*:1]
CCCCc1nnc(NC(=O)c2nccnc2-c2nc3ccccc3s2)s1 CCCCc1nnc(s1)[*:1] O=C(N[*:1])c1nccnc1-c1nc2ccccc2s1
CCCCc1nnc(NC(=O)c2nccnc2-c2nc3ccccc3s2)s1 c1ccc2sc(nc2c1)[*:1] CCCCc1nnc(NC(=O)c2nccnc2[*:1])s1
CCCCc1nnc(NC(=O)c2nccnc2-c2nc3ccccc3s2)s1 CCC[*:1] O=C(Nc1nnc(C[*:1])s1)c1nccnc1-c1nc2ccccc2s1
CCCCc1nnc(NC(=O)c2nccnc2-c2nc3ccccc3s2)s1 CCCC[*:1] O=C(Nc1nnc(s1)[*:1])c1nccnc1-c1nc2ccccc2s1
CCCC[C@@H](C(=O)[O-])[C@@H](O)C1CC1 CCCC[*:1] O=C([O-])[C@@H]([C@@H](O)C1CC1)[*:1]
CCCC[C@@H](C(=O)[O-])[C@@H](O)C1CC1 CCC[*:1] O=C([O-])[C@H](C[*:1])[C@@H](O)C1CC1
CCCC[C@@H](C(=O)[O-])[C@@H](O)C1CC1 C1CC1[*:1] CCCC[C@@H](C(=O)[O-])[C@@H](O)[*:1]
CCCC[C@@H](C(=O)[O-])[C@@H](O)C1CC1 O=C([O-])[*:1] CCCC[C@@H]([C@@H](O)C1CC1)[*:1]
C=CCOc1ccc(Br)cc1N C=CCO[*:1] Nc1cc(Br)ccc1[*:1]
C=CCOc1ccc(Br)cc1N C=CC[*:1] Nc1cc(Br)ccc1O[*:1]
Cc1ccnc(S[C@H]2CCC[C@](C#N)(NC3CC3)C2)n1 C1CC1N[*:1] Cc1ccnc(n1)S[C@H]1CCC[C@](C#N)(C1)[*:1]
Cc1ccnc(S[C@H]2CCC[C@](C#N)(NC3CC3)C2)n1 C1CC1[*:1] Cc1ccnc(n1)S[C@H]1CCC[C@@](C#N)(C1)N[*:1]
COCc1cc(NC(=O)N[C@@H]2CCC[C@]2(C)CO)ncn1 COC[*:1] C[C@]1(CO)CCC[C@H]1NC(=O)Nc1cc(ncn1)[*:1]
COCCOCCN1CCOC[C@H]1C1CC1 COCC[*:1] C1CN(CCO[*:1])[C@@H](CO1)C1CC1
COCCOCCN1CCOC[C@H]1C1CC1 C1CC1[*:1] COCCOCCN1CCOC[C@@H]1[*:1]
COCCOCCN1CCOC[C@H]1C1CC1 COCCO[*:1] C1CN(CC[*:1])[C@@H](CO1)C1CC1
COCCOCCN1CCOC[C@H]1C1CC1 COC[*:1] C1CN(CCOC[*:1])[C@@H](CO1)C1CC1
CCCCCC(C)(C)C[NH2+]C1CCOCC1 CCCC[*:1] CC(C)(C[NH2+]C1CCOCC1)C[*:1]
CCCCCC(C)(C)C[NH2+]C1CCOCC1 CCCCC[*:1] CC(C)(C[NH2+]C1CCOCC1)[*:1]
CCCCCC(C)(C)C[NH2+]C1CCOCC1 CCC[*:1] CC(C)(CC[*:1])C[NH2+]C1CCOCC1
CN(CCCNC(=O)c1cc2c(s1)CCC2)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(NCCC[*:1])c1cc2CCCc2s1
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cn1c(=O)oc2ccccc21 c1ncn(n1)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)Cn1c(=O)oc2ccccc21
O=C(CSc1cc(-n2cccn2)ncn1)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(CSc1cc(ncn1)-n1cccn1)N[*:1]
O=C(CSc1cc(-n2cccn2)ncn1)Nc1ccccc1Br c1cnn(c1)[*:1] O=C(CSc1cc(ncn1)[*:1])Nc1ccccc1Br
Cc1ncc([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c(C)n1 O[C@]1(CCOC1)[*:1] Cc1ncc(c(C)n1)[C@@H](C)[NH2+]C[*:1]
Cc1ccc(CNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)CNC(=O)N[C@H]1CCN(C1)C(=O)C[*:1]
Cc1ccc(CNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[C@H]1CCN(C1)C(=O)CCc1ccccc1)N[*:1]
Cc1ccc(CNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])N[C@H]1CCN(C1)C(=O)CCc1ccccc1
Cc1ccc(CNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)CNC(=O)N[C@H]1CCN(C1)C(=O)[*:1]
Cc1ccc(CNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)N[C@H]1CCN(C1)C(=O)CC[*:1]
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc2c(c1)OCCO2 CC(C)(C)[*:1] C[C@H]1CN(CCN1C(=O)c1ccc2OCCOc2c1)C(=O)O[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)NCCc2ccccc2)CC1 NC(=O)[*:1] O=C(NCCc1ccccc1)N1CCN(CC1)[C@H](c1ccccc1)[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)[C@@H](N1CCN(CC1)C(=O)NCCc1ccccc1)[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)NCC[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)NC[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)NCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)N[*:1]
Cn1cc([C@]2(C)CN(Cc3cccn3C)CCO2)cn1 Cn1cccc1[*:1] Cn1cc(cn1)[C@]1(C)CN(CCO1)C[*:1]
Cn1cc([C@]2(C)CN(Cc3cccn3C)CCO2)cn1 Cn1cc(cn1)[*:1] Cn1cccc1CN1CCO[C@](C)(C1)[*:1]
CCc1ccc(NC(=O)c2nc(-c3ccco3)cc3c2nc(C)n3[C@@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)[*:1] Cc1nc2c(nc(cc2n1[C@@H]1CCS(=O)(=O)C1)-c1ccco1)C(=O)N[*:1]
CCc1ccc(NC(=O)c2nc(-c3ccco3)cc3c2nc(C)n3[C@@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)NC(=O)[*:1] Cc1nc2c(nc(cc2n1[C@@H]1CCS(=O)(=O)C1)-c1ccco1)[*:1]
CCc1ccc(NC(=O)c2nc(-c3ccco3)cc3c2nc(C)n3[C@@H]2CCS(=O)(=O)C2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)NC(=O)c1nc(cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1)[*:1]
C=C(CC)C[C@@H]([NH3+])C1([NH+]2CCCC2)CCCC1 C=C(CC)[*:1] [NH3+][C@H](C[*:1])C1(CCCC1)[NH+]1CCCC1
C=C(CC)C[C@@H]([NH3+])C1([NH+]2CCCC2)CCCC1 C=C(CC)C[*:1] [NH3+][C@@H](C1(CCCC1)[NH+]1CCCC1)[*:1]
Cn1ncnc1NC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1 Cn1ncnc1[*:1] O=C(N[C@H]1CCCC[C@@H]1OCc1ccccc1)N[*:1]
Cn1ncnc1NC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1 c1ccc(cc1)[*:1] Cn1ncnc1NC(=O)N[C@H]1CCCC[C@@H]1OC[*:1]
Cn1ncnc1NC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1 c1ccc(cc1)C[*:1] Cn1ncnc1NC(=O)N[C@H]1CCCC[C@@H]1O[*:1]
Cn1ncnc1NC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1 c1ccc(cc1)CO[*:1] Cn1ncnc1NC(=O)N[C@H]1CCCC[C@H]1[*:1]
CCC[C@H]([NH2+]Cc1ccccc1C1CC1)c1cccs1 C1CC1[*:1] CCC[C@H]([NH2+]Cc1ccccc1[*:1])c1cccs1
CCC[C@H]([NH2+]Cc1ccccc1C1CC1)c1cccs1 c1csc(c1)[*:1] CCC[C@H]([NH2+]Cc1ccccc1C1CC1)[*:1]
CCC[C@H]([NH2+]Cc1ccccc1C1CC1)c1cccs1 CCC[*:1] c1csc(c1)[C@@H]([NH2+]Cc1ccccc1C1CC1)[*:1]
CCOc1ccc(O)c(/C=N/c2cccc(-c3nc(CC)cc(=O)[nH]3)c2)c1 CCc1cc(=O)[nH]c(n1)[*:1] CCOc1ccc(O)c(/C=N/c2cccc(c2)[*:1])c1
CCOc1ccc(O)c(/C=N/c2cccc(-c3nc(CC)cc(=O)[nH]3)c2)c1 CCO[*:1] CCc1cc(=O)[nH]c(n1)-c1cccc(c1)/N=C/c1cc(ccc1O)[*:1]
Cc1oc(-c2ccccc2)nc1C(=O)NCc1cccnc1-n1ccnc1 c1cn(cn1)[*:1] Cc1oc(nc1C(=O)NCc1cccnc1[*:1])-c1ccccc1
Cc1oc(-c2ccccc2)nc1C(=O)NCc1cccnc1-n1ccnc1 c1ccc(cc1)[*:1] Cc1oc(nc1C(=O)NCc1cccnc1-n1ccnc1)[*:1]
CC(C)c1nn(-c2ccccc2Cl)c(N)c1I CC(C)[*:1] Nc1c(I)c(nn1-c1ccccc1Cl)[*:1]
CCc1ccc(OCC(=O)NC(=S)Nc2c(C)cc(C)cc2C)cc1 CCc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=S)NC(=O)CO[*:1])c(C)c1
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(Cl)cc1Cl O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)CCCOc1ccc(Cl)cc1Cl)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] Cc1ccc(cc1NC(=O)CCCO[*:1])[N+](=O)[O-]
O=C(N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(Br)nc1 O=C([O-])[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1ccc(Br)nc1
O=C(N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(Br)nc1 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])c1ccc(Br)nc1
Cn1ncnc1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cn1ncnc1CCNC(=O)c1ccc(NC2CC2)c(c1)[*:1]
Cn1ncnc1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1N[*:1] Cn1ncnc1CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cn1ncnc1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 Cn1ncnc1CC[*:1] O=C(N[*:1])c1ccc(NC2CC2)c(c1)[N+](=O)[O-]
Cn1ncnc1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 Cn1ncnc1C[*:1] O=C(NC[*:1])c1ccc(NC2CC2)c(c1)[N+](=O)[O-]
Cn1ncnc1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 Cn1ncnc1[*:1] O=C(NCC[*:1])c1ccc(NC2CC2)c(c1)[N+](=O)[O-]
Cn1ncnc1CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] Cn1ncnc1CCNC(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
CCOc1ccc(NC(=O)Nc2c(C)nn(CCOC)c2C)cc1F COC[*:1] CCOc1ccc(cc1F)NC(=O)Nc1c(C)nn(C[*:1])c1C
CCOc1ccc(NC(=O)Nc2c(C)nn(CCOC)c2C)cc1F COCC[*:1] CCOc1ccc(cc1F)NC(=O)Nc1c(C)nn(c1C)[*:1]
CCOc1ccc(NC(=O)Nc2c(C)nn(CCOC)c2C)cc1F CCO[*:1] COCCn1nc(C)c(NC(=O)Nc2ccc(c(F)c2)[*:1])c1C
CN(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)cc1 CN(C)[*:1] O=C1CCCC2Nc3[nH]c(=O)[nH]c(=O)c3[C@H](C=21)c1ccc(cc1)[*:1]
O=C(C(=S)NCCc1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)C[*:1] O=C(C(=S)NC[*:1])c1c[nH]c2ccccc12
O=C(C(=S)NCCc1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(C(=S)NCC[*:1])c1c[nH]c2ccccc12
O=C(CCCC1CCCCC1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 C1CCC(CC1)CCC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc2nsnc12)[*:1]
O=C(CCCC1CCCCC1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 C1CCC(CC1)CC[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1cccc2nsnc12
O=C(CCCC1CCCCC1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 C1CCC(CC1)[*:1] O=C(CCC[*:1])N1CCN(CC1)S(=O)(=O)c1cccc2nsnc12
O=C(CCCC1CCCCC1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 c1cc(c2nsnc2c1)[*:1] O=C(CCCC1CCCCC1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CCCC1CCCCC1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 C1CCC(CC1)C[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1cccc2nsnc12
O=C(NCCc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(NCCc1cccc(c1)[*:1])c1c[nH]c2ccc(cc12)[N+](=O)[O-]
O=C(NCCc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(NCCc1cccc(c1)[N+](=O)[O-])c1c[nH]c2ccc(cc12)[*:1]
CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2ccccc2C)C1=O Cc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)Nc2ccccc2C)C1=O)[*:1]
CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2ccccc2C)C1=O Cc1ccccc1[*:1] CC[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(C)cc1
CC(C)[C@@H](NC(=O)N[C@@H](C)[C@@H](C)CO)c1nc(C2CC2)no1 CC(C)[*:1] C[C@H](NC(=O)N[C@@H](c1nc(no1)C1CC1)[*:1])[C@@H](C)CO
CC(C)[C@@H](NC(=O)N[C@@H](C)[C@@H](C)CO)c1nc(C2CC2)no1 C[C@@H](CO)[*:1] CC(C)[C@@H](NC(=O)N[C@@H](C)[*:1])c1nc(no1)C1CC1
CC(C)[C@@H](NC(=O)N[C@@H](C)[C@@H](C)CO)c1nc(C2CC2)no1 C[C@@H]([C@@H](C)CO)[*:1] CC(C)[C@@H](NC(=O)N[*:1])c1nc(no1)C1CC1
CC(C)[C@@H](NC(=O)N[C@@H](C)[C@@H](C)CO)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H](NC(=O)N[C@@H](C)[C@@H](C)CO)c1nc(no1)[*:1]
O=C([O-])c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1[nH]c2ccc(Cl)cc2c1[*:1]
O=C([O-])c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 O=C([O-])[*:1] Clc1ccc2[nH]c(c(-c3ccccc3)c2c1)[*:1]
COc1cc2[nH]c3c(=O)n(CC(=O)NCC4CC4)cnc3c2cc1OC C1CC1[*:1] COc1cc2[nH]c3c(=O)n(cnc3c2cc1OC)CC(=O)NC[*:1]
COc1cc2[nH]c3c(=O)n(CC(=O)NCC4CC4)cnc3c2cc1OC O=C(C[*:1])NCC1CC1 COc1cc2[nH]c3c(=O)n(cnc3c2cc1OC)[*:1]
COc1cc2[nH]c3c(=O)n(CC(=O)NCC4CC4)cnc3c2cc1OC O=C(NCC1CC1)[*:1] COc1cc2[nH]c3c(=O)n(cnc3c2cc1OC)C[*:1]
COc1cc2[nH]c3c(=O)n(CC(=O)NCC4CC4)cnc3c2cc1OC C1CC1C[*:1] COc1cc2[nH]c3c(=O)n(cnc3c2cc1OC)CC(=O)N[*:1]
COC[C@H](NC(=O)c1noc(C)n1)c1ccc(F)c(F)c1 Cc1nc(no1)[*:1] COC[C@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)c1noc(C)n1)c1ccc(F)c(F)c1 COC[*:1] Cc1nc(no1)C(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)NCc2cccc(N(C)C)c2)CC1 CN(C)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NCc1cccc(c1)[*:1]
COc1ccc(NC(=O)Cn2c(=O)c(-c3ccccc3NC(=O)C(C)C)nc3ccccc32)cc1 COc1ccc(cc1)NC(=O)[*:1] CC(C)C(=O)Nc1ccccc1-c1nc2ccccc2n(C[*:1])c1=O
COc1ccc(NC(=O)Cn2c(=O)c(-c3ccccc3NC(=O)C(C)C)nc3ccccc32)cc1 COc1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)N[*:1])c1=O
COc1ccc(NC(=O)Cn2c(=O)c(-c3ccccc3NC(=O)C(C)C)nc3ccccc32)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)Cn1c(=O)c(nc2ccccc21)-c1ccccc1NC(=O)[*:1]
COc1ccc(NC(=O)Cn2c(=O)c(-c3ccccc3NC(=O)C(C)C)nc3ccccc32)cc1 CC(C)C(=O)N[*:1] COc1ccc(cc1)NC(=O)Cn1c(=O)c(nc2ccccc21)-c1ccccc1[*:1]
CCCn1nnnc1CSCC(=O)Nc1c(C)cccc1C CCC[*:1] Cc1cccc(C)c1NC(=O)CSCc1nnnn1[*:1]
O=C(NC1CCCC1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F C1CCC(C1)[*:1] O=C(N[*:1])c1nn2c(N[C@@H](C[C@H]2C(F)(F)F)c2ccccc2)c1Cl
O=C(NC1CCCC1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F O=C(NC1CCCC1)[*:1] FC(F)(F)[C@@H]1C[C@H](Nc2c(Cl)c(nn21)[*:1])c1ccccc1
O=C(NC1CCCC1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F FC(F)(F)[*:1] O=C(NC1CCCC1)c1nn2c(N[C@@H](C[C@@H]2[*:1])c2ccccc2)c1Cl
O=C(NC1CCCC1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F c1ccc(cc1)[*:1] O=C(NC1CCCC1)c1nn2c(N[C@H](C[C@H]2C(F)(F)F)[*:1])c1Cl
C=CCCC(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 C=CCC[*:1] CC(=O)Nc1cccc(c1)[C@H](C)OC(=O)[*:1]
C=CCCC(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 C=CC[*:1] CC(=O)Nc1cccc(c1)[C@H](C)OC(=O)C[*:1]
C=CCCC(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 CC(=O)N[*:1] C=CCCC(=O)O[C@@H](C)c1cccc(c1)[*:1]
CC[C@H](C)[C@@H](c1nc(C2CC2)no1)N1Cc2ccccc2C1=O CC[C@H](C)[*:1] O=C1c2ccccc2CN1[C@H](c1nc(no1)C1CC1)[*:1]
CC[C@H](C)[C@@H](c1nc(C2CC2)no1)N1Cc2ccccc2C1=O C1CC1[*:1] CC[C@H](C)[C@@H](c1nc(no1)[*:1])N1Cc2ccccc2C1=O
O[C@@H](c1cc(C(F)(F)F)ccc1F)c1cccc(F)c1F FC(F)(F)[*:1] O[C@@H](c1cc(ccc1F)[*:1])c1cccc(F)c1F
CN(Cc1ccccc1Cl)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 Clc1ccccc1C[*:1] CN(C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
CN(Cc1ccccc1Cl)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 Clc1ccccc1[*:1] CN(C[*:1])C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1
CCC[NH2+][C@H](c1cc(F)cc(Br)c1)c1cccnc1N CCC[*:1] Nc1ncccc1[C@H]([NH2+][*:1])c1cc(F)cc(Br)c1
CCCC1=NN(C(=O)COc2ccccc2C)[C@](O)(C(F)(F)F)C1 Cc1ccccc1O[*:1] CCCC1C[C@](O)(N(N=1)C(=O)C[*:1])C(F)(F)F
CCCC1=NN(C(=O)COc2ccccc2C)[C@](O)(C(F)(F)F)C1 CCC[*:1] Cc1ccccc1OCC(=O)N1N=C(C[C@@]1(O)C(F)(F)F)[*:1]
CCCC1=NN(C(=O)COc2ccccc2C)[C@](O)(C(F)(F)F)C1 Cc1ccccc1[*:1] CCCC1C[C@](O)(N(N=1)C(=O)CO[*:1])C(F)(F)F
CCCC1=NN(C(=O)COc2ccccc2C)[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CCCC1C[C@@](O)(N(N=1)C(=O)COc1ccccc1C)[*:1]
NC(=O)Cc1csc(NC(=O)c2ccc(N3CCCC3)c(F)c2)n1 NC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])c1ccc(c(F)c1)N1CCCC1
NC(=O)Cc1csc(NC(=O)c2ccc(N3CCCC3)c(F)c2)n1 NC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(c(F)c1)N1CCCC1
NC(=O)Cc1csc(NC(=O)c2ccc(N3CCCC3)c(F)c2)n1 C1CCN(C1)[*:1] NC(=O)Cc1csc(n1)NC(=O)c1ccc(c(F)c1)[*:1]
CC(C)c1ocnc1CN1CCCN(c2nccs2)CC1 CC(C)[*:1] c1csc(n1)N1CCCN(CC1)Cc1ncoc1[*:1]
CC(C)c1ocnc1CN1CCCN(c2nccs2)CC1 c1csc(n1)[*:1] CC(C)c1ocnc1CN1CCCN(CC1)[*:1]
COCCN1C(=O)NC(=N)[C@]1(C)CC(C)C COCC[*:1] CC(C)C[C@@]1(C)C(=N)NC(=O)N1[*:1]
COCCN1C(=O)NC(=N)[C@]1(C)CC(C)C CC(C)C[*:1] COCCN1C(=O)NC(=N)[C@@]1(C)[*:1]
COCCN1C(=O)NC(=N)[C@]1(C)CC(C)C CC(C)[*:1] COCCN1C(=O)NC(=N)[C@]1(C)C[*:1]
COCCN1C(=O)NC(=N)[C@]1(C)CC(C)C COC[*:1] CC(C)C[C@@]1(C)C(=N)NC(=O)N1C[*:1]
C[C@H](CNC(=O)N(C)Cc1ccncc1)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CNC(=O)N(C)Cc1ccncc1)O[*:1]
C[C@H](CNC(=O)N(C)Cc1ccncc1)Oc1ccc(Cl)cc1 c1cc(ccn1)C[*:1] C[C@H](CNC(=O)N(C)[*:1])Oc1ccc(Cl)cc1
C[C@H](CNC(=O)N(C)Cc1ccncc1)Oc1ccc(Cl)cc1 c1cc(ccn1)[*:1] C[C@H](CNC(=O)N(C)C[*:1])Oc1ccc(Cl)cc1
CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 CC(=O)N[*:1] O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] CC(=O)Nc1cccc(c1)C(=O)N1CCCC[C@H]1[*:1]
COC(=O)CN(Cc1ccccc1)C(=O)c1cc2c(nc3sccn32)s1 COC(=O)[*:1] O=C(c1cc2c(nc3sccn32)s1)N(Cc1ccccc1)C[*:1]
COC(=O)CN(Cc1ccccc1)C(=O)c1cc2c(nc3sccn32)s1 c1ccc(cc1)C[*:1] COC(=O)CN(C(=O)c1cc2c(nc3sccn32)s1)[*:1]
COC(=O)CN(Cc1ccccc1)C(=O)c1cc2c(nc3sccn32)s1 c1ccc(cc1)[*:1] COC(=O)CN(C[*:1])C(=O)c1cc2c(nc3sccn32)s1
COC(=O)CN(Cc1ccccc1)C(=O)c1cc2c(nc3sccn32)s1 COC(=O)C[*:1] O=C(c1cc2c(nc3sccn32)s1)N(Cc1ccccc1)[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1[*:1])OC(=O)c1cccs1
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)c(OC)c1 O=C(O[*:1])c1cccs1 COc1ccc(c(c1)OC)[C@@H]1C(C#N)=C(N)Oc2cc(ccc21)[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)c(OC)c1 c1csc(c1)[*:1] COc1ccc(c(c1)OC)[C@@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)[*:1]
CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1c(C)nn(C)c1C Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(C)cc1)[*:1]
Cc1[nH+]ccn1CCN1CCO[C@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] Cc1[nH+]ccn1CCN1CCO[C@H](C1)[*:1]
CCc1cccc(C)c1NCC(=O)Nc1ccccc1Br Brc1ccccc1[*:1] CCc1cccc(C)c1NCC(=O)N[*:1]
C[C@](N)(C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)C(F)(F)F O=C([O-])[*:1] C[C@](N)(C(=O)N[C@@](C)(c1ccccc1)[*:1])C(F)(F)F
C[C@](N)(C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] C[C@](N)(C(=O)N[C@@](C)(C(=O)[O-])[*:1])C(F)(F)F
C[C@](N)(C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)[*:1]
C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(COCC(F)(F)F)cc1 FC(F)(F)COC[*:1] C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(cc1)[*:1]
C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(COCC(F)(F)F)cc1 FC(F)(F)C[*:1] C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(cc1)CO[*:1]
C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(COCC(F)(F)F)cc1 FC(F)(F)CO[*:1] C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(cc1)C[*:1]
C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(COCC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(cc1)COC[*:1]
CCCNC(=O)C[NH+]1CCC(NC(=O)C[NH+]2CCc3sccc3C2)CC1 CCCNC(=O)C[*:1] O=C(C[NH+]1CCc2sccc2C1)NC1CC[NH+](CC1)[*:1]
CCCNC(=O)C[NH+]1CCC(NC(=O)C[NH+]2CCc3sccc3C2)CC1 CCCNC(=O)[*:1] O=C(C[NH+]1CCc2sccc2C1)NC1CC[NH+](CC1)C[*:1]
CCCNC(=O)C[NH+]1CCC(NC(=O)C[NH+]2CCc3sccc3C2)CC1 CCC[*:1] O=C(C[NH+]1CCc2sccc2C1)NC1CC[NH+](CC1)CC(=O)N[*:1]
CC(=O)CC(=O)Nc1ccc(C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=O)CC(=O)Nc1ccc(C)cc1[*:1]
CC(=O)CC(=O)Nc1ccc(C)cc1[N+](=O)[O-] CC(=O)C[*:1] Cc1ccc(NC(=O)[*:1])c(c1)[N+](=O)[O-]
CC(=O)CC(=O)Nc1ccc(C)cc1[N+](=O)[O-] CC(=O)[*:1] Cc1ccc(NC(=O)C[*:1])c(c1)[N+](=O)[O-]
CSc1cccc(N2C(=O)N(Cc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 Clc1ccc(cc1)[*:1] CSc1cccc(c1)N1C(=O)N(C[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CSc1cccc(N2C(=O)N(Cc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 CSc1cccc(c1)[*:1] O=C1N(Cc2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CSc1cccc(N2C(=O)N(Cc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 Clc1ccc(cc1)C[*:1] CSc1cccc(c1)N1C(=O)N([C@H]2CS(=O)(=O)C[C@H]21)[*:1]
COc1ccc2c(c1C)OC(=O)[C@@H](CC(=O)N[C@@H](CC1=c3ccccc3=[NH+]C1)C(=O)[O-])[C@H]2C O=C([O-])[*:1] COc1ccc2c(OC(=O)[C@@H](CC(=O)N[C@@H](CC3C[NH+]=c4ccccc4=3)[*:1])[C@H]2C)c1C
CC[C@@H](NC(=O)Cc1ccc[nH]1)c1ccc(F)cc1F c1c[nH]c(c1)C[*:1] CC[C@@H](NC(=O)[*:1])c1ccc(F)cc1F
CC[C@@H](NC(=O)Cc1ccc[nH]1)c1ccc(F)cc1F c1c[nH]c(c1)[*:1] CC[C@@H](NC(=O)C[*:1])c1ccc(F)cc1F
Cc1nnc2n1CCC[C@@H]2NC(=O)[C@H](C)NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)[C@H](C)NC(=O)N[*:1]
C[C@H](CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)C[NH+]1CCCC1 C1CC1[*:1] C[C@H](CNC(=O)Nc1ccc2oc(nc2c1)[*:1])C[NH+]1CCCC1
COCC(=O)N[C@H](C(=O)Nc1ccc2oc(C3CC3)nc2c1)C(C)C COC[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1ccc2oc(nc2c1)C1CC1
COCC(=O)N[C@H](C(=O)Nc1ccc2oc(C3CC3)nc2c1)C(C)C COCC(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1ccc2oc(nc2c1)C1CC1)[*:1]
COCC(=O)N[C@H](C(=O)Nc1ccc2oc(C3CC3)nc2c1)C(C)C CC(C)[*:1] COCC(=O)N[C@H](C(=O)Nc1ccc2oc(nc2c1)C1CC1)[*:1]
COCC(=O)N[C@H](C(=O)Nc1ccc2oc(C3CC3)nc2c1)C(C)C C1CC1[*:1] COCC(=O)N[C@H](C(=O)Nc1ccc2oc(nc2c1)[*:1])C(C)C
O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@H](O)C1 c1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])N1CCC[C@H](O)C1
CCNc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)nc(C)n1 CCN[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)c1ccc(C)c(C)c1
CCNc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)nc(C)n1 Cc1ccc(cc1C)[*:1] CCNc1cc(nc(C)n1)N1CCN(CC1)C(=O)[*:1]
O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(cc1)C[*:1]
O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(cc1)[*:1]
COC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccon2)CC1 c1cc(C[*:1])no1 COC(=O)[C@@H](c1ccccc1)N1CCN(CC1)[*:1]
COC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccon2)CC1 c1cc(no1)[*:1] COC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C[*:1]
COC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccon2)CC1 COC(=O)[*:1] c1ccc(cc1)[C@@H](N1CCN(CC1)Cc1ccon1)[*:1]
COC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccon2)CC1 c1ccc(cc1)[*:1] COC(=O)[C@@H](N1CCN(CC1)Cc1ccon1)[*:1]
O=C(/C=C/c1ccco1)NCC1(CO)CC1 OCC1(CC1)[*:1] O=C(/C=C/c1ccco1)NC[*:1]
O=C(/C=C/c1ccco1)NCC1(CO)CC1 c1coc(c1)[*:1] O=C(C=C[*:1])NCC1(CO)CC1
CCC(CC)C(=O)NCC[C@H](O)c1ccccc1 CCC(CC)[*:1] O=C(NCC[C@H](O)c1ccccc1)[*:1]
CCC(CC)C(=O)NCC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)C(=O)NCC[C@H](O)[*:1]
CC(=O)c1ccc(NC(=O)CCn2cnc3c(-c4ccc(C)cc4)noc3c2=O)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc2c(=O)n(cnc12)CCC(=O)N[*:1]
CC(=O)c1ccc(NC(=O)CCn2cnc3c(-c4ccc(C)cc4)noc3c2=O)cc1 Cc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CCn1cnc2c(noc2c1=O)[*:1]
CC(=O)c1ccc(NC(=O)CCn2cnc3c(-c4ccc(C)cc4)noc3c2=O)cc1 CC(=O)[*:1] Cc1ccc(cc1)-c1noc2c(=O)n(cnc12)CCC(=O)Nc1ccc(cc1)[*:1]
Nc1ncnc2c1ncn2CCCOc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Nc1ncnc2c1ncn2CCCO[*:1]
Cc1cc(C(=O)Nc2cc(-c3ccccc3)ns2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(Nc1cc(ns1)-c1ccccc1)[*:1]
Cc1cc(C(=O)Nc2cc(-c3ccccc3)ns2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)Nc2cc(ns2)[*:1])c(C)o1
O=c1c2cc3c(=O)n(Cc4ccccc4)ccc3nc2ccn1CCO OCC[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1Cc1ccccc1)[*:1]
O=c1c2cc3c(=O)n(Cc4ccccc4)ccc3nc2ccn1CCO c1ccc(cc1)C[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1CCO)[*:1]
O=c1c2cc3c(=O)n(Cc4ccccc4)ccc3nc2ccn1CCO c1ccc(cc1)[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1CCO)C[*:1]
O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cn1cc(ccc1=O)C(F)(F)F)NCC[*:1]
O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(Cn1cc(ccc1=O)C(F)(F)F)NC[*:1]
O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCc1ccc(Cl)cc1 FC(F)(F)[*:1] O=C(Cn1cc(ccc1=O)[*:1])NCCc1ccc(Cl)cc1
C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1CCN(C(=O)C[NH+](C)C)CC1 Fc1ccc(Cl)cc1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)C[NH+](C)C
C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[*:1]
C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(F)(F)F O=[N+]([O-])[*:1] C[C@@H](OC(=O)c1ccc(Cl)cc1[*:1])C(=O)NCC(F)(F)F
C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[*:1]
CC(=O)c1cc(F)c(C)cc1Sc1nnnn1C1CC1 C1CC1[*:1] CC(=O)c1cc(F)c(C)cc1Sc1nnnn1[*:1]
CC(=O)c1cc(F)c(C)cc1Sc1nnnn1C1CC1 CC(=O)[*:1] Cc1cc(Sc2nnnn2C2CC2)c(cc1F)[*:1]
O=C1NC(=O)[C@@H](CCC(=O)N2CCC(OCc3ccccn3)CC2)N1 c1ccc(CO[*:1])nc1 O=C1NC(=O)[C@@H](CCC(=O)N2CCC(CC2)[*:1])N1
O=C1NC(=O)[C@@H](CCC(=O)N2CCC(OCc3ccccn3)CC2)N1 c1ccc(C[*:1])nc1 O=C1NC(=O)[C@@H](CCC(=O)N2CCC(CC2)O[*:1])N1
O=C1NC(=O)[C@@H](CCC(=O)N2CCC(OCc3ccccn3)CC2)N1 c1ccc(nc1)[*:1] O=C1NC(=O)[C@@H](CCC(=O)N2CCC(CC2)OC[*:1])N1
Cc1ccc(-n2nc(C)cc2NC(=O)C[NH+](C)Cc2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)C[NH+](C)C[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)C[NH+](C)Cc2ccc(C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)C[NH+](C)Cc2ccc(C)o2)n(n1)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)C[NH+](C)Cc2ccc(C)o2)cc1 Cc1ccc(C[*:1])o1 Cc1ccc(cc1)-n1nc(C)cc1NC(=O)C[NH+](C)[*:1]
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] CCOc1ccc(cc1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 CCOc1ccc(cc1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](N1CCc1ccccc1)[*:1]
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1CC[*:1]
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 CCO[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(cc2)[*:1])N1CCc1ccccc1
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1C[*:1]
O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCN1C(=O)C1CCCC1 C1CC1[*:1] O=C(OC[C@@H]1CC(=O)N(C1)[*:1])[C@H]1CCCN1C(=O)C1CCCC1
O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCN1C(=O)C1CCCC1 C1CCC(C1)[*:1] O=C(OC[C@@H]1CC(=O)N(C1)C1CC1)[C@H]1CCCN1C(=O)[*:1]
CCOC(=O)Nc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] CCOC(=O)Nc1ccc(nc1)[*:1]
N#Cc1cn(Cc2ncn(-c3ccccc3)n2)c2ccc(Cl)cc2c1=O c1ccc(cc1)[*:1] N#Cc1cn(Cc2ncn(n2)[*:1])c2ccc(Cl)cc2c1=O
C[C@H](CNc1ccccc1S(C)(=O)=O)c1ccc(F)c(F)c1 CS(=O)(=O)[*:1] C[C@H](CNc1ccccc1[*:1])c1ccc(F)c(F)c1
COC(=O)c1ccsc1NC(=O)c1snnc1C Cc1nnsc1[*:1] COC(=O)c1ccsc1NC(=O)[*:1]
COC(=O)c1ccsc1NC(=O)c1snnc1C COC(=O)[*:1] Cc1nnsc1C(=O)Nc1sccc1[*:1]
CC[C@@H]1C(=O)NCCN1c1nc(C(C)C)ns1 CC(C)[*:1] CC[C@@H]1C(=O)NCCN1c1nc(ns1)[*:1]
O=C(NCc1nnc(SCC(=O)N2CCCC2)o1)c1ccco1 c1coc(c1)[*:1] O=C(CSc1nnc(CNC(=O)[*:1])o1)N1CCCC1
O=C(NCc1nnc(SCC(=O)N2CCCC2)o1)c1ccco1 O=C(N1CCCC1)[*:1] O=C(NCc1nnc(o1)SC[*:1])c1ccco1
Cc1nonc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] Cc1nonc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1[*:1]
Cc1nonc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 Cc1nonc1[*:1] CN1C(=O)C[C@@H](C(=O)N[*:1])[C@H]1c1ccc(Cl)c(F)c1
Cc1nn(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)cc2)c(C)c1Cl Fc1ccc(cc1F)[*:1] Cc1nn(-c2ccc(cc2)C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c(C)c1Cl
Cc1nn(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)cc2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1
CCN(C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCN(C(=O)N[C@H](C)c1nc(no1)-c1ccccc1OC)[*:1]
CCN(C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1)[C@@H](C)C(C)C CC(C)[*:1] CCN(C(=O)N[C@H](C)c1nc(no1)-c1ccccc1OC)[C@@H](C)[*:1]
CCN(C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1)[C@@H](C)C(C)C COc1ccccc1[*:1] CCN(C(=O)N[C@H](C)c1nc(no1)[*:1])[C@@H](C)C(C)C
C[C@H]([NH2+]Cc1ccccc1F)c1cc(=O)[nH]c(-c2cccnc2)n1 c1cncc(c1)[*:1] C[C@H]([NH2+]Cc1ccccc1F)c1cc(=O)[nH]c(n1)[*:1]
C[C@H]([NH2+]Cc1ccccc1F)c1cc(=O)[nH]c(-c2cccnc2)n1 Fc1ccccc1C[*:1] C[C@H]([NH2+][*:1])c1cc(=O)[nH]c(n1)-c1cccnc1
C[C@H]([NH2+]Cc1ccccc1F)c1cc(=O)[nH]c(-c2cccnc2)n1 Fc1ccccc1[*:1] C[C@H]([NH2+]C[*:1])c1cc(=O)[nH]c(n1)-c1cccnc1
CC(C)c1nn(C)cc1CNC1CC[NH+](CCN(C)C)CC1 CC(C)[*:1] CN(C)CC[NH+]1CCC(CC1)NCc1cn(C)nc1[*:1]
CC(C)c1nn(C)cc1CNC1CC[NH+](CCN(C)C)CC1 CN(C)C[*:1] CC(C)c1nn(C)cc1CNC1CC[NH+](CC1)C[*:1]
CC(C)c1nn(C)cc1CNC1CC[NH+](CCN(C)C)CC1 CN(C)[*:1] CC(C)c1nn(C)cc1CNC1CC[NH+](CC1)CC[*:1]
CC(C)c1nn(C)cc1CNC1CC[NH+](CCN(C)C)CC1 CN(C)CC[*:1] CC(C)c1nn(C)cc1CNC1CC[NH+](CC1)[*:1]
COC(=O)c1nn(C)c(C)c1I COC(=O)[*:1] Cc1c(I)c(nn1C)[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)NC[C@H]1C[C@]12CCc1ccccc12 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])NC[C@H]1C[C@]12CCc1ccccc12
CC(C)c1cccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 CC(C)[*:1] Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)Oc1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2cccc(C(N)=O)c2)C1 NC(=O)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)S(=O)(=O)c1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2cccc(C(N)=O)c2)C1 CC(C)(C)[*:1] NC(=O)c1cccc(c1)S(=O)(=O)[C@@H]1CCCN(C1)C(=O)O[*:1]
O=C(NCCN1CCS(=O)(=O)CC1)c1nc(N2CCCC2)ncc1Cl O=S1(=O)CCN(CC1)[*:1] O=C(NCC[*:1])c1nc(ncc1Cl)N1CCCC1
O=C(NCCN1CCS(=O)(=O)CC1)c1nc(N2CCCC2)ncc1Cl C1CCN(C1)[*:1] O=C(NCCN1CCS(=O)(=O)CC1)c1nc(ncc1Cl)[*:1]
COc1cccc(NC(=O)N2CC[NH+](CCNC(=O)c3ccc4c(c3)OCO4)CC2)c1 COc1cccc(c1)[*:1] O=C(NCC[NH+]1CCN(CC1)C(=O)N[*:1])c1ccc2OCOc2c1
COc1cccc(NC(=O)N2CC[NH+](CCNC(=O)c3ccc4c(c3)OCO4)CC2)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)NC(=O)N1CC[NH+](CCNC(=O)[*:1])CC1
N#Cc1ccc(S(=O)(=O)N2CC3(CCCC3)c3ccccc32)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(N1CC2(CCCC2)c2ccccc21)[*:1]
CC(C)n1ncc2cc(C(=O)N(Cc3ccco3)c3ccccc3)cnc21 c1ccc(cc1)[*:1] CC(C)n1ncc2cc(cnc21)C(=O)N(Cc1ccco1)[*:1]
CC(C)n1ncc2cc(C(=O)N(Cc3ccco3)c3ccccc3)cnc21 c1coc(c1)[*:1] CC(C)n1ncc2cc(cnc21)C(=O)N(C[*:1])c1ccccc1
CC(C)n1ncc2cc(C(=O)N(Cc3ccco3)c3ccccc3)cnc21 CC(C)[*:1] O=C(c1cnc2c(cnn2[*:1])c1)N(Cc1ccco1)c1ccccc1
CC(C)n1ncc2cc(C(=O)N(Cc3ccco3)c3ccccc3)cnc21 c1coc(c1)C[*:1] CC(C)n1ncc2cc(cnc21)C(=O)N(c1ccccc1)[*:1]
COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCc3[nH]ncc3C2)c1 O=[N+]([O-])[*:1] COc1cc(F)c(c(c1)N[C@H]1CCc2[nH]ncc2C1)[*:1]
Cc1cc([C@H](Nc2cccc[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cc(c(NC(=O)[*:1])s1)[C@H](Nc1cccc[nH+]1)c1ccsc1
Cc1cc([C@H](Nc2cccc[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 O=C(N[*:1])c1ccccc1 Cc1cc(c(s1)[*:1])[C@H](Nc1cccc[nH+]1)c1ccsc1
Cc1cc([C@H](Nc2cccc[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 c1cc(cs1)[*:1] Cc1cc(c(NC(=O)c2ccccc2)s1)[C@H](Nc1cccc[nH+]1)[*:1]
COCCCNC(=O)C(=O)N/N=C/c1cccc2ccccc12 COCCC[*:1] O=C(N/N=C/c1cccc2ccccc12)C(=O)N[*:1]
COCCCNC(=O)C(=O)N/N=C/c1cccc2ccccc12 COC[*:1] O=C(NCC[*:1])C(=O)N/N=C/c1cccc2ccccc12
COCCCNC(=O)C(=O)N/N=C/c1cccc2ccccc12 COCC[*:1] O=C(NC[*:1])C(=O)N/N=C/c1cccc2ccccc12
CC(C)(C)NC(=O)c1cccc(C(F)(F)F)c1 CC(C)(C)[*:1] O=C(N[*:1])c1cccc(c1)C(F)(F)F
CC(C)(C)NC(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)(C)NC(=O)c1cccc(c1)[*:1]
O=C(NC1CCCCC1)NC1CCN(c2cc[nH+]c3ccsc23)CC1 C1CCC(CC1)[*:1] O=C(NC1CCN(CC1)c1cc[nH+]c2ccsc12)N[*:1]
COc1ccc(N(Cc2cccnc2)S(=O)(=O)c2c(C)nn(C(F)F)c2C)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)N(S(=O)(=O)c1c(C)nn(c1C)C(F)F)[*:1]
COc1ccc(N(Cc2cccnc2)S(=O)(=O)c2c(C)nn(C(F)F)c2C)cc1 COc1ccc(cc1)[*:1] Cc1nn(c(C)c1S(=O)(=O)N(Cc1cccnc1)[*:1])C(F)F
COc1ccc(N(Cc2cccnc2)S(=O)(=O)c2c(C)nn(C(F)F)c2C)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)N(C[*:1])S(=O)(=O)c1c(C)nn(c1C)C(F)F
COc1ccc(N(Cc2cccnc2)S(=O)(=O)c2c(C)nn(C(F)F)c2C)cc1 FC(F)[*:1] COc1ccc(cc1)N(Cc1cccnc1)S(=O)(=O)c1c(C)nn(c1C)[*:1]
CSc1ccc(NC(=O)C(=O)NCc2ccccc2Cn2cccn2)cc1 c1cnn(c1)C[*:1] CSc1ccc(cc1)NC(=O)C(=O)NCc1ccccc1[*:1]
CSc1ccc(NC(=O)C(=O)NCc2ccccc2Cn2cccn2)cc1 c1cnn(c1)[*:1] CSc1ccc(cc1)NC(=O)C(=O)NCc1ccccc1C[*:1]
CSc1ccc(NC(=O)C(=O)NCc2ccccc2Cn2cccn2)cc1 CSc1ccc(cc1)[*:1] O=C(NCc1ccccc1Cn1cccn1)C(=O)N[*:1]
CN(C(=O)NCc1cccc(OCc2ccccc2)c1)C1CCS(=O)CC1 c1ccc(cc1)CO[*:1] CN(C(=O)NCc1cccc(c1)[*:1])C1CCS(=O)CC1
CN(C(=O)NCc1cccc(OCc2ccccc2)c1)C1CCS(=O)CC1 c1ccc(cc1)C[*:1] CN(C(=O)NCc1cccc(c1)O[*:1])C1CCS(=O)CC1
CN(C(=O)NCc1cccc(OCc2ccccc2)c1)C1CCS(=O)CC1 c1ccc(cc1)[*:1] CN(C(=O)NCc1cccc(c1)OC[*:1])C1CCS(=O)CC1
Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1OCC(=O)NNC(=O)[*:1]
COc1ccc(CCC2CCN(C(=O)Nc3ccc4c(c3)COC4)CC2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2COCc2c1)N1CCC(CC1)CC[*:1]
COc1ccc(CCC2CCN(C(=O)Nc3ccc4c(c3)COC4)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1ccc2COCc2c1)N1CCC(CC1)C[*:1]
COc1ccc(CCC2CCN(C(=O)Nc3ccc4c(c3)COC4)CC2)cc1 c1cc2COCc2cc1[*:1] COc1ccc(cc1)CCC1CCN(CC1)C(=O)N[*:1]
CC(C)(C)OC(=O)N[C@H](/C(N)=N/O)c1ccc2c(c1)OCCO2 N/C(=N\O)[*:1] CC(C)(C)OC(=O)N[C@H](c1ccc2OCCOc2c1)[*:1]
CC(C)(C)OC(=O)N[C@H](/C(N)=N/O)c1ccc2c(c1)OCCO2 CC(C)(C)[*:1] N/C(=N\O)[C@@H](NC(=O)O[*:1])c1ccc2OCCOc2c1
Cn1ncc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1-n1cccc1 c1ccn(c1)[*:1] Cn1ncc(C(=O)N2CCC[C@H](C2)NS(C)(=O)=O)c1[*:1]
Cn1ncc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1-n1cccc1 CS(=O)(=O)N[*:1] Cn1ncc(C(=O)N2CCC[C@@H](C2)[*:1])c1-n1cccc1
CCc1ccc(Oc2nc(CC)ns2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCc1ccc(Oc2nc(CC)ns2)c(c1)[*:1]
CC(C)[NH2+]CC(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC(C)[NH2+]CC(=O)N[C@@H]1C=C[C@H](C1)[*:1]
CC(C)[NH2+]CC(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 CC(C)[*:1] O=C(C[NH2+][*:1])N[C@@H]1C=C[C@@H](C1)C(=O)[O-]
CC(C)[NH2+]CC(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1 CC(C)[NH2+]C[*:1] O=C([O-])[C@H]1C=C[C@H](C1)NC(=O)[*:1]
Cc1oc(-c2ccc(C(=O)NCc3ccco3)cc2)nc1C[S@](=O)c1ccccc1 c1coc(c1)[*:1] Cc1oc(nc1C[S@](=O)c1ccccc1)-c1ccc(cc1)C(=O)NC[*:1]
Cc1oc(-c2ccc(C(=O)NCc3ccco3)cc2)nc1C[S@](=O)c1ccccc1 O=C(NCc1ccco1)[*:1] Cc1oc(nc1C[S@](=O)c1ccccc1)-c1ccc(cc1)[*:1]
Cc1oc(-c2ccc(C(=O)NCc3ccco3)cc2)nc1C[S@](=O)c1ccccc1 c1coc(c1)C[*:1] Cc1oc(nc1C[S@](=O)c1ccccc1)-c1ccc(cc1)C(=O)N[*:1]
Cc1oc(-c2ccc(C(=O)NCc3ccco3)cc2)nc1C[S@](=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1oc(nc1C[S@](=O)[*:1])-c1ccc(cc1)C(=O)NCc1ccco1
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1cc(=O)n2ccsc2n1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(=N1)[*:1])OCc1cc(=O)n2ccsc2n1
CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] C/C(C=C[*:1])=N\NC(=O)c1ccc(F)cc1
CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(/C=C/c1ccccc1)=N\NC(=O)[*:1]
CC(C)[NH+]1CCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 CC(C)[*:1] C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)[NH+]1CCN(CC1)[C@H](C)C(=O)NC(=O)N[*:1]
COC(=O)c1ccc(C(=O)N2CCN(c3nc4ccc(SC)cc4s3)CC2)cc1 COC(=O)[*:1] CSc1ccc2nc(sc2c1)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COc1ccccc1NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] COc1ccccc1NC(=O)N[C@@](C)(C(=O)[O-])[*:1]
C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)[C@H](C)C1 c1cncc(c1)[*:1] C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)[*:1])[C@H](C)C1
C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[*:1]
CC[C@](C)([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 CC[C@](C)([NH3+])[*:1] O=C(N1CC[C@@H](C1)[NH+]1CCCCC1)[*:1]
COc1ccc2nc(NC(=O)CCOCc3ccccc3)sc2c1 c1ccc(cc1)CO[*:1] COc1ccc2nc(NC(=O)CC[*:1])sc2c1
COc1ccc2nc(NC(=O)CCOCc3ccccc3)sc2c1 c1ccc(cc1)[*:1] COc1ccc2nc(NC(=O)CCOC[*:1])sc2c1
COc1ccc2nc(NC(=O)CCOCc3ccccc3)sc2c1 c1ccc(cc1)C[*:1] COc1ccc2nc(NC(=O)CCO[*:1])sc2c1
CSC[C@@H](C)[NH2+]CCCn1nc(C)nc1C CSC[*:1] Cc1nc(C)n(CCC[NH2+][C@H](C)[*:1])n1
C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1Cl)[*:1] C[C@]1(CCCN(C1)C(=O)N[*:1])C(=O)NCc1ccc(F)cc1
C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1)C[*:1] C[C@]1(CCCN(C1)C(=O)Nc1ccc(F)c(Cl)c1)C(=O)N[*:1]
C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1)[*:1] C[C@]1(CCCN(C1)C(=O)Nc1ccc(F)c(Cl)c1)C(=O)NC[*:1]
CCC[C@H]1NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O c1ccc(cc1)[*:1] CCC[C@H]1NC(=O)N(C[C@@H](O)CO[*:1])C1=O
CCC[C@H]1NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O CCC[*:1] O=C1N[C@@H](C(=O)N1C[C@@H](O)COc1ccccc1)[*:1]
CCC[C@H]1NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O c1ccc(cc1)O[*:1] CCC[C@H]1NC(=O)N(C[C@@H](O)C[*:1])C1=O
Nc1c(C(=O)NCC(=O)[O-])cnn1-c1ccccc1 O=C([O-])C[*:1] Nc1c(cnn1-c1ccccc1)C(=O)N[*:1]
Nc1c(C(=O)NCC(=O)[O-])cnn1-c1ccccc1 O=C([O-])[*:1] Nc1c(cnn1-c1ccccc1)C(=O)NC[*:1]
Nc1c(C(=O)NCC(=O)[O-])cnn1-c1ccccc1 c1ccc(cc1)[*:1] Nc1c(cnn1[*:1])C(=O)NCC(=O)[O-]
Cc1noc(CNC(=O)C(=O)Nc2ccc(Cl)cc2C)n1 Cc1noc(C[*:1])n1 Cc1cc(Cl)ccc1NC(=O)C(=O)N[*:1]
Cc1noc(CNC(=O)C(=O)Nc2ccc(Cl)cc2C)n1 Cc1noc(n1)[*:1] Cc1cc(Cl)ccc1NC(=O)C(=O)NC[*:1]
CCCNc1nc([C@@H]2CN(C)CCO2)nc(C)c1Br CCC[*:1] Cc1nc(nc(N[*:1])c1Br)[C@@H]1CN(C)CCO1
CCCNc1nc([C@@H]2CN(C)CCO2)nc(C)c1Br CCCN[*:1] Cc1nc(nc(c1Br)[*:1])[C@@H]1CN(C)CCO1
C[C@H]1CCc2cc(F)ccc2N1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H]1CCc2cc(F)ccc2N1C(=O)N[*:1]
O=C(Nc1cccnc1Cl)C1CCC1 C1CC(C1)[*:1] O=C(Nc1cccnc1Cl)[*:1]
COc1ccc(F)c(N2C(=O)CNC(=O)[C@@H]2C(C)C)c1 CC(C)[*:1] COc1ccc(F)c(c1)N1C(=O)CNC(=O)[C@H]1[*:1]
Nc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 O=C1CC[C@H](N1)[*:1] Nc1ccc2c(c1)CC[C@@H]2NC(=O)[*:1]
CC1=C2[C@@H](N=N1)OC(N)=C(C#N)[C@H]2/C(C)=C/c1ccccc1 c1ccc(cc1)[*:1] CC1N=N[C@H]2OC(N)=C(C#N)[C@H](C=12)C(C)=C[*:1]
Cc1nn(C)cc1[C@H]1C[C@H](C(F)(F)F)n2nccc2N1 FC(F)(F)[*:1] Cc1nn(C)cc1[C@H]1C[C@H](n2nccc2N1)[*:1]
N#Cc1ccc(N[C@H](CCCO)c2ccccc2)cc1Cl OCCC[*:1] N#Cc1ccc(cc1Cl)N[C@H](c1ccccc1)[*:1]
N#Cc1ccc(N[C@H](CCCO)c2ccccc2)cc1Cl OCC[*:1] N#Cc1ccc(cc1Cl)N[C@H](C[*:1])c1ccccc1
N#Cc1ccc(N[C@H](CCCO)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] N#Cc1ccc(cc1Cl)N[C@H](CCCO)[*:1]
CC(C)CC(=O)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 CC(C)[*:1] O=C(C[*:1])NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1
CC(C)CC(=O)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 CC(C)CC(=O)N[*:1] c1cc2C[C@@H](C[*:1])Oc2c(c1)-c1ccncc1
CC(C)CC(=O)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 CC(C)C[*:1] O=C(NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1)[*:1]
CC(C)CC(=O)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 c1cc(ccn1)[*:1] CC(C)CC(=O)NC[C@@H]1Cc2cccc(c2O1)[*:1]
Cc1ccccc1C(=O)N1CCC2(CC1)NC(=O)c1cccc(C)c1N2 Cc1ccccc1[*:1] Cc1cccc2C(=O)NC3(CCN(CC3)C(=O)[*:1])Nc12
CNC(=O)[C@H](C)CN(C)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C CNC(=O)[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(CC(=O)N(C)C[C@@H](C)[*:1])c1C
CNC(=O)[C@H](C)CN(C)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C Cc1cc(C)nc(n1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)Cc1c(C)nn(c1C)[*:1]
C[C@@H](NC(=O)[C@@H]1CCCO1)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)[C@@H]1CCCO1)[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)C1 CCNC(=O)[*:1] O=C(N[C@@H](CCCO)c1ccccc1)N1CCC[C@@H](C1)[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)C1 c1ccc(cc1)[*:1] CCNC(=O)[C@H]1CCCN(C1)C(=O)N[C@@H](CCCO)[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)C1 OCC[*:1] CCNC(=O)[C@H]1CCCN(C1)C(=O)N[C@@H](C[*:1])c1ccccc1
CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)C1 OCCC[*:1] CCNC(=O)[C@H]1CCCN(C1)C(=O)N[C@@H](c1ccccc1)[*:1]
CCC(CC)[NH2+]C[C@@H](C)Sc1ccncc1 CCC(CC)[*:1] C[C@H](C[NH2+][*:1])Sc1ccncc1
O=C(NC1CC1)[C@@H]1CCCN(C(=O)Nc2cccs2)C1 c1csc(c1)[*:1] O=C(NC1CC1)[C@@H]1CCCN(C1)C(=O)N[*:1]
O=C(NC1CC1)[C@@H]1CCCN(C(=O)Nc2cccs2)C1 O=C(NC1CC1)[*:1] O=C(Nc1cccs1)N1CCC[C@H](C1)[*:1]
O=C(NC1CC1)[C@@H]1CCCN(C(=O)Nc2cccs2)C1 C1CC1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)Nc1cccs1
CC#CC[C@H]([NH2+]CCC)[C@@H]1CSCCO1 CC#C[*:1] CCC[NH2+][C@@H](C[*:1])[C@@H]1CSCCO1
CC#CC[C@H]([NH2+]CCC)[C@@H]1CSCCO1 CCC[*:1] CC#CC[C@H]([NH2+][*:1])[C@@H]1CSCCO1
CC#CC[C@H]([NH2+]CCC)[C@@H]1CSCCO1 CC#CC[*:1] CCC[NH2+][C@H]([C@@H]1CSCCO1)[*:1]
C=CCCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 C=CC[*:1] O=C(C[*:1])Nc1n[nH]c2ccc(cc12)[N+](=O)[O-]
C=CCCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 C=CCC[*:1] O=C(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
C=CCCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] C=CCCC(=O)Nc1n[nH]c2ccc(cc12)[*:1]
CCc1noc2nc(C)nc(N3CCC[C@@H](C(=O)NCc4cccc(OC)c4)C3)c12 COc1cccc(c1)C[*:1] CCc1noc2nc(C)nc(c12)N1CCC[C@H](C1)C(=O)N[*:1]
CCc1noc2nc(C)nc(N3CCC[C@@H](C(=O)NCc4cccc(OC)c4)C3)c12 COc1cccc(c1)[*:1] CCc1noc2nc(C)nc(c12)N1CCC[C@H](C1)C(=O)NC[*:1]
CSCC(=O)[C@@H]1CCO[C@@H]1C CSC[*:1] C[C@H]1OCC[C@H]1C(=O)[*:1]
COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1[*:1]
COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccc(C)cc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] COc1ccc(cc1)[C@H]1Nn2c(nnc2-c2ccccc2)S[C@H]1[*:1]
COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccc(C)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1Nn2c(nnc2[*:1])S[C@@H]1C(=O)Nc1ccc(C)cc1
COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1Nn2c(nnc2-c2ccccc2)S[C@@H]1C(=O)N[*:1]
Cc1ccc(C)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)N[*:1]
CN(C)C(=O)Nc1cccc(CNC(=O)NCc2ccc(O)c(F)c2)c1 Oc1ccc(cc1F)[*:1] CN(C)C(=O)Nc1cccc(c1)CNC(=O)NC[*:1]
CN(C)C(=O)Nc1cccc(CNC(=O)NCc2ccc(O)c(F)c2)c1 CN(C)C(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])NCc1ccc(O)c(F)c1
CCOc1cccc(NC(=O)c2ccc(C)cc2)c1 CCO[*:1] Cc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
C#CCN1CCN(C(=O)N[C@@H]2CCCC[C@H]2C)CC1 C#CC[*:1] C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(CC1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)c1ncccc1Cl Clc1cccnc1[*:1] Cc1cccc(c1NC(=O)CS(=O)(=O)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)CS(=O)(=O)c1ncccc1Cl CC(C)[*:1] Cc1cccc(c1NC(=O)CS(=O)(=O)c1ncccc1Cl)[*:1]
COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1C(=O)N[*:1]
COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 COc1ccc(cc1)NC(=O)[*:1] O=C(C[NH+]1CCN(CC1)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1[*:1]
CC[NH+](CC)[C@](C)(CC)C(=O)Cc1cc(Br)cs1 Brc1csc(c1)[*:1] CC[NH+](CC)[C@](C)(CC)C(=O)C[*:1]
CCOc1cc2c(cc1NC(=O)N[C@H](C)CCCO)O[C@H](C)C2 C[C@H](CCCO)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)N[*:1]
CCOc1cc2c(cc1NC(=O)N[C@H](C)CCCO)O[C@H](C)C2 CCO[*:1] C[C@H](CCCO)NC(=O)Nc1cc2O[C@H](C)Cc2cc1[*:1]
CCOc1cc2c(cc1NC(=O)N[C@H](C)CCCO)O[C@H](C)C2 OCC[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)N[C@H](C)C[*:1]
CCOc1cc2c(cc1NC(=O)N[C@H](C)CCCO)O[C@H](C)C2 OCCC[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)N[C@H](C)[*:1]
CC(=O)Nc1cccc(C(=O)NCCc2nc3ccccc3[nH]2)c1 CC(=O)N[*:1] O=C(NCCc1nc2ccccc2[nH]1)c1cccc(c1)[*:1]
CCn1nc(C(=O)Nc2ccn(C)n2)c(=O)c2cc(Cl)ccc21 Cn1ccc(n1)[*:1] CCn1nc(C(=O)N[*:1])c(=O)c2cc(Cl)ccc21
O=C1C[C@H](C(=O)N2CCc3cc(F)ccc3C2)CN1Cc1ccccn1 c1ccc(C[*:1])nc1 O=C([C@H]1CC(=O)N(C1)[*:1])N1CCc2cc(F)ccc2C1
O=C1C[C@H](C(=O)N2CCc3cc(F)ccc3C2)CN1Cc1ccccn1 c1ccc(nc1)[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1CCc2cc(F)ccc2C1
N#Cc1ccc(-c2noc(CCc3cscn3)n2)nc1 c1nc(cs1)[*:1] N#Cc1ccc(nc1)-c1noc(CC[*:1])n1
N#Cc1ccc(-c2noc(CCc3cscn3)n2)nc1 c1nc(cs1)C[*:1] N#Cc1ccc(nc1)-c1noc(C[*:1])n1
CCOc1sc2nc(C)n(CC(=O)Nc3ccc(CC)cc3)c(=O)c2c1C CCc1ccc(cc1)[*:1] CCOc1sc2nc(C)n(CC(=O)N[*:1])c(=O)c2c1C
CCOc1sc2nc(C)n(CC(=O)Nc3ccc(CC)cc3)c(=O)c2c1C CCO[*:1] CCc1ccc(cc1)NC(=O)Cn1c(C)nc2sc(c(C)c2c1=O)[*:1]
COc1cccc(Cn2c(=O)n(CC3CCC(C(=O)N4CCCCC4)CC3)c(=O)c3sccc32)c1 COc1cccc(c1)[*:1] O=C(C1CCC(CC1)Cn1c(=O)c2sccc2n(C[*:1])c1=O)N1CCCCC1
COc1cccc(Cn2c(=O)n(CC3CCC(C(=O)N4CCCCC4)CC3)c(=O)c3sccc32)c1 COc1cccc(c1)C[*:1] O=C(C1CCC(CC1)Cn1c(=O)c2sccc2n(c1=O)[*:1])N1CCCCC1
COc1cccc(Cn2c(=O)n(CC3CCC(C(=O)N4CCCCC4)CC3)c(=O)c3sccc32)c1 O=C(N1CCCCC1)[*:1] COc1cccc(c1)Cn1c(=O)n(CC2CCC(CC2)[*:1])c(=O)c2sccc21
CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(Br)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(Br)cc1)[*:1]
CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(Br)cc1)c1ccccc1 CC(=O)N[*:1] C[C@@H](NC(=O)C[C@H](c1ccccc1)[*:1])c1ccc(Br)cc1
CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(Br)cc1)c1ccccc1 Brc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N[C@H](C)[*:1])c1ccccc1
O=C(NCCn1cccc1)Nc1c(F)cc(F)cc1F c1ccn(c1)C[*:1] O=C(NC[*:1])Nc1c(F)cc(F)cc1F
O=C(NCCn1cccc1)Nc1c(F)cc(F)cc1F c1ccn(c1)[*:1] O=C(NCC[*:1])Nc1c(F)cc(F)cc1F
O=C(CCn1ccccc1=O)NNC(=O)c1ccc(Cl)nc1 O=c1ccccn1[*:1] O=C(CC[*:1])NNC(=O)c1ccc(Cl)nc1
O=C(CCn1ccccc1=O)NNC(=O)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(CCn1ccccc1=O)NNC(=O)[*:1]
CCc1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 O=C1CCCN1[*:1] CCc1ccc(cc1)OCC(=O)Nc1ccc(cc1)[*:1]
CCc1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 CCc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)N1CCCC1=O
CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cc(C)[nH]n2)[C@@H]3C1=O Cc1cc(C[*:1])n[nH]1 CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)[*:1])[C@@H]3C1=O
CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cc(C)[nH]n2)[C@@H]3C1=O Cc1cc(n[nH]1)[*:1] CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)C[*:1])[C@@H]3C1=O
CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cc(C)[nH]n2)[C@@H]3C1=O CCO[*:1] Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CC[*:1])C(=O)[C@@H]24)O3)n[nH]1
CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cc(C)[nH]n2)[C@@H]3C1=O CCOC[*:1] Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C[*:1])C(=O)[C@@H]24)O3)n[nH]1
CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)Cc2cc(C)[nH]n2)[C@@H]3C1=O CCOCC[*:1] Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C(=O)[C@@H]24)[*:1])O3)n[nH]1
O=C(NC1CCCCC1)N(Cc1cccnc1)Cc1cccc(Br)c1 Brc1cccc(c1)C[*:1] O=C(NC1CCCCC1)N(Cc1cccnc1)[*:1]
O=C(NC1CCCCC1)N(Cc1cccnc1)Cc1cccc(Br)c1 c1cncc(c1)[*:1] O=C(NC1CCCCC1)N(Cc1cccc(Br)c1)C[*:1]
O=C(NC1CCCCC1)N(Cc1cccnc1)Cc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(NC1CCCCC1)N(Cc1cccnc1)C[*:1]
O=C(NC1CCCCC1)N(Cc1cccnc1)Cc1cccc(Br)c1 C1CCC(CC1)[*:1] O=C(N[*:1])N(Cc1cccnc1)Cc1cccc(Br)c1
O=C(NC1CCCCC1)N(Cc1cccnc1)Cc1cccc(Br)c1 c1cncc(c1)C[*:1] O=C(NC1CCCCC1)N(Cc1cccc(Br)c1)[*:1]
CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCCC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCCC(=O)[*:1]
CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCCC(=O)c1ccccc1 O=C(c1ccccc1)[*:1] CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCC[*:1]
CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CCCC(=O)c1ccccc1 CCNC(=O)[*:1] [NH3+][C@H]1C[C@H](N(C1)C(=O)CCCC(=O)c1ccccc1)[*:1]
O=[N+]([O-])c1cc(F)ccc1NC(=S)NCc1ccco1 c1coc(c1)[*:1] O=[N+]([O-])c1cc(F)ccc1NC(=S)NC[*:1]
O=[N+]([O-])c1cc(F)ccc1NC(=S)NCc1ccco1 c1coc(c1)C[*:1] O=[N+]([O-])c1cc(F)ccc1NC(=S)N[*:1]
O=[N+]([O-])c1cc(F)ccc1NC(=S)NCc1ccco1 O=[N+]([O-])[*:1] Fc1ccc(NC(=S)NCc2ccco2)c(c1)[*:1]
CC(C)c1nn(C)c2sc(C(=O)N3c4ccccc4OC[C@@H]3C)cc12 CC(C)[*:1] C[C@H]1COc2ccccc2N1C(=O)c1cc2c(nn(C)c2s1)[*:1]
C[C@H]1CN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)C[C@@H](c2ccccc2)O1 C[C@H]1C[C@H]1C(=O)N[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)c1ccc(cc1)[*:1]
C[C@H]1CN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)C[C@@H](c2ccccc2)O1 C[C@H]1C[C@H]1[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@H]1CN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](O1)[*:1])C(=O)c1ccc(cc1)NC(=O)[C@@H]1C[C@@H]1C
CCCN1C(=O)c2ccccc2N[C@H]1c1cn(Cc2ccccc2)nc1-c1cccnc1 c1ccc(cc1)C[*:1] CCCN1C(=O)c2ccccc2N[C@H]1c1cn(nc1-c1cccnc1)[*:1]
CCCN1C(=O)c2ccccc2N[C@H]1c1cn(Cc2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] CCCN1C(=O)c2ccccc2N[C@H]1c1cn(C[*:1])nc1-c1cccnc1
CCCN1C(=O)c2ccccc2N[C@H]1c1cn(Cc2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] CCCN1C(=O)c2ccccc2N[C@H]1c1cn(Cc2ccccc2)nc1[*:1]
CCCN1C(=O)c2ccccc2N[C@H]1c1cn(Cc2ccccc2)nc1-c1cccnc1 CCC[*:1] O=C1c2ccccc2N[C@@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1[*:1]
CC[NH+](CC)CCCn1cc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C Clc1ccc(cc1)[*:1] CC[NH+](CC)CCCn1cc2c(c1[*:1])c(=O)n(C)c(=O)n2C
N#Cc1c(C[NH2+]CCn2cccn2)cn2ccccc12 c1cnn(c1)[*:1] N#Cc1c(cn2ccccc12)C[NH2+]CC[*:1]
N#Cc1c(C[NH2+]CCn2cccn2)cn2ccccc12 c1cnn(c1)C[*:1] N#Cc1c(cn2ccccc12)C[NH2+]C[*:1]
CCCCC(=O)Nc1ccc(NC(=O)c2cc(C)nc(N)n2)cc1 CCCC[*:1] Cc1cc(nc(N)n1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCCCC(=O)Nc1ccc(NC(=O)c2cc(C)nc(N)n2)cc1 CCC[*:1] Cc1cc(nc(N)n1)C(=O)Nc1ccc(cc1)NC(=O)C[*:1]
CCCCC(=O)Nc1ccc(NC(=O)c2cc(C)nc(N)n2)cc1 Cc1cc(nc(N)n1)[*:1] CCCCC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCCCC(=O)Nc1ccc(NC(=O)c2cc(C)nc(N)n2)cc1 CCCCC(=O)N[*:1] Cc1cc(nc(N)n1)C(=O)Nc1ccc(cc1)[*:1]
COCCCNC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 COCCC[*:1] NC(=O)c1ccc(c(c1)NC(=O)N[*:1])N1CCCCC1
COCCCNC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 COCC[*:1] NC(=O)c1ccc(c(c1)NC(=O)NC[*:1])N1CCCCC1
COCCCNC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 NC(=O)[*:1] COCCCNC(=O)Nc1cc(ccc1N1CCCCC1)[*:1]
COCCCNC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 C1CCN(CC1)[*:1] COCCCNC(=O)Nc1cc(ccc1[*:1])C(N)=O
COCCCNC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 COC[*:1] NC(=O)c1ccc(c(c1)NC(=O)NCC[*:1])N1CCCCC1
COC(=O)c1cccc(N2CCO[C@@]3(CCc4ccccc43)C2)n1 COC(=O)[*:1] c1cc(nc(c1)[*:1])N1CCO[C@@]2(CCc3ccccc32)C1
COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](Nc2cc(C(=O)[O-])ccc2C)C1=O O=C([O-])[*:1] COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](Nc2cc(ccc2C)[*:1])C1=O
CCc1cc(C(=O)NCCn2ccc(C)n2)on1 Cc1ccn(n1)[*:1] CCc1cc(on1)C(=O)NCC[*:1]
Cc1cc(C)cc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1 CS(=O)(=O)[*:1] Cc1cc(C)cc(c1)C(=O)Nc1ccc(C)c(c1)[*:1]
CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)no3)c2C#N)C1 Cc1cc(on1)[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 C[C@H]1Cc2cc(ccc2O1)[*:1] Cc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nccs1
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 c1csc(n1)[*:1] Cc1ccc(cc1)[C@@H]1C(C(=O)c2ccc3O[C@@H](C)Cc3c2)=C([O-])C(=O)N1[*:1]
COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)CSc3ccc(F)cc3)nc12 Fc1ccc(cc1)[*:1] COc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)CS[*:1]
COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)CSc3ccc(F)cc3)nc12 Fc1ccc(cc1)S[*:1] COc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)C[*:1]
COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)CSc3ccc(F)cc3)nc12 Fc1ccc(cc1)SC[*:1] COc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
CO[C@@H](C)[C@@H]([NH3+])Cc1cccc(Br)c1 CO[C@@H](C)[*:1] [NH3+][C@@H](Cc1cccc(Br)c1)[*:1]
Cc1nn(C)c(C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)c1Br O=[N+]([O-])[*:1] Cc1nn(C)c(C(=O)NNC(=O)Nc2cccc(c2)[*:1])c1Br
Cc1nn(C)c(C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)c1Br Cc1nn(C)c(c1Br)[*:1] O=C(NNC(=O)[*:1])Nc1cccc(c1)[N+](=O)[O-]
COc1ccc(Cl)cc1NC(=O)CS[C@H](C)c1cccs1 c1csc(c1)[*:1] COc1ccc(Cl)cc1NC(=O)CS[C@H](C)[*:1]
CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)N[C@H]1CCC[C@H]1[*:1]
CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)C1 c1ccc(cc1)[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)N[C@H]1CCC[C@@H]1C[*:1]
CCCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)CS2 CCC[*:1] O=C1CSc2ccc(cc2N1)NC(=O)N(Cc1ccccc1)[*:1]
CCCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)CS2 c1ccc(cc1)C[*:1] CCCN(C(=O)Nc1ccc2SCC(=O)Nc2c1)[*:1]
CCCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)CS2 c1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)Nc1ccc2SCC(=O)Nc2c1
O=C1C(=O)N(CCCCCCl)c2ccc(Cl)cc21 ClCC[*:1] O=C1C(=O)N(CCC[*:1])c2ccc(Cl)cc21
O=C1C(=O)N(CCCCCCl)c2ccc(Cl)cc21 ClCCCC[*:1] O=C1C(=O)N(C[*:1])c2ccc(Cl)cc21
O=C1C(=O)N(CCCCCCl)c2ccc(Cl)cc21 ClCCCCC[*:1] O=C1C(=O)N(c2ccc(Cl)cc21)[*:1]
O=C1C(=O)N(CCCCCCl)c2ccc(Cl)cc21 ClCCC[*:1] O=C1C(=O)N(CC[*:1])c2ccc(Cl)cc21
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Cn1nnc(-c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Cn1nnc(n1)[*:1]
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Cn1nnc(-c2ccc(C)cc2)n1 COC(=O)[*:1] Cc1ccc(cc1)-c1nnn(CC(=O)N[C@H]2CCCCC[C@H]2[*:1])n1
COC(=O)[C@H]1CN[C@]2(C1)C(=O)Nc1ccccc12 COC(=O)[*:1] O=C1Nc2ccccc2[C@@]12C[C@H](CN2)[*:1]
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1CCCO1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CCCN(C1=O)[*:1])[C@H]1CCCO1
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCCN(C[*:1])C1=O)[C@H]1CCCO1
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C1[C@H](CCCN1Cc1ccccc1)NC(=O)[*:1]
COc1cccc(CC(=O)N[C@@H](C)c2nc(C)cs2)c1 Cc1csc(n1)[*:1] COc1cccc(c1)CC(=O)N[C@@H](C)[*:1]
CO[C@H](C)[C@H](O)Cc1cc(C)cc(C)c1 CO[C@H](C)[*:1] Cc1cc(C)cc(c1)C[C@@H](O)[*:1]
N#CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 N#CC[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
N#CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 N#CCc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
N#CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 O=S(=O)(N1CCOCC1)[*:1] N#CCc1ccc(cc1)NC(=O)c1ccc(Cl)c(c1)[*:1]
COc1cc(OC)c(NC(=O)N(C)C[C@@H]2CCCO2)cc1F C1CO[C@@H](C1)[*:1] COc1cc(OC)c(cc1F)NC(=O)N(C)C[*:1]
COc1cc(OC)c(NC(=O)N(C)C[C@@H]2CCCO2)cc1F C1CO[C@@H](C1)C[*:1] COc1cc(OC)c(cc1F)NC(=O)N(C)[*:1]
CCS[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCO1 CCS[*:1] O=C(N[C@@H]1CCCC[C@@H]1[*:1])[C@@H]1CCCO1
CCS[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCS[C@H]1CCCC[C@H]1NC(=O)[*:1]
CCn1ncc(C(=O)N2C[C@H](C)[C@@H]([NH+](C)C)C2)c1C(F)(F)F FC(F)(F)[*:1] CCn1ncc(C(=O)N2C[C@H](C)[C@H](C2)[NH+](C)C)c1[*:1]
O=C(Nc1ccc2c(c1)COC2)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])c1ccc(s1)[*:1] O=C(Nc1ccc2COCc2c1)[C@H]1CCCN1C(=O)[*:1]
O=C(Nc1ccc2c(c1)COC2)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(Nc1ccc2COCc2c1)[C@H]1CCCN1C(=O)c1ccc(s1)[*:1]
O=C(Nc1ccc2c(c1)COC2)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 c1cc2COCc2cc1[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1ccc(s1)[N+](=O)[O-]
Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccc[nH]c2=O)C3)c1 c1ccn(c1)[*:1] Cc1cccc(c1)-n1nc2CN(Cc2c1[*:1])C(=O)c1ccc[nH]c1=O
Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccc[nH]c2=O)C3)c1 O=c1[nH]cccc1[*:1] Cc1cccc(c1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccc[nH]c2=O)C3)c1 Cc1cccc(c1)[*:1] O=C(c1ccc[nH]c1=O)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC O=C([O-])C[*:1] COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(ccc1OC)[*:1]
COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC O=C([O-])[*:1] COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(ccc1OC)C[*:1]
O=C([O-])[C@H]1CC2(CCN(C(=O)c3cccc(O)c3)CC2)CN1C(=O)C1CC1 Oc1cccc(c1)[*:1] O=C([O-])[C@H]1CC2(CCN(CC2)C(=O)[*:1])CN1C(=O)C1CC1
O=C([O-])[C@H]1CC2(CCN(C(=O)c3cccc(O)c3)CC2)CN1C(=O)C1CC1 C1CC1[*:1] O=C([O-])[C@H]1CC2(CCN(CC2)C(=O)c2cccc(O)c2)CN1C(=O)[*:1]
O=C([O-])[C@H]1CC2(CCN(C(=O)c3cccc(O)c3)CC2)CN1C(=O)C1CC1 O=C([O-])[*:1] O=C(c1cccc(O)c1)N1CCC2(CC1)C[C@@H](N(C2)C(=O)C1CC1)[*:1]
CC(C)N1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1=O Fc1ccc(c(F)c1)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)N1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1=O CC(C)[*:1] O=C(Nc1ccc(F)cc1F)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@H](CNC(=O)N1CCC[C@H](c2nncn2C)C1)N1CCOCC1 Cn1cnnc1[*:1] C[C@H](CNC(=O)N1CCC[C@H](C1)[*:1])N1CCOCC1
C[C@H](CNC(=O)N1CCC[C@H](c2nncn2C)C1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)N1CCC[C@@H](C1)c1nncn1C)[*:1]
C[C@H](CNC(=O)N1CCC[C@H](c2nncn2C)C1)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] Cn1cnnc1[C@H]1CCCN(C1)C(=O)NC[*:1]
C[C@H]1[NH+]=c2ccc(OC(F)(F)F)cc2=C1CCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O FC(F)(F)[*:1] C[C@H]1[NH+]=c2ccc(cc2=C1CCN1C(=O)c2ccc(cc2C1=O)C(=O)[O-])O[*:1]
C[C@H]1[NH+]=c2ccc(OC(F)(F)F)cc2=C1CCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O O=C([O-])[*:1] C[C@H]1[NH+]=c2ccc(cc2=C1CCN1C(=O)c2ccc(cc2C1=O)[*:1])OC(F)(F)F
C[C@H]1[NH+]=c2ccc(OC(F)(F)F)cc2=C1CCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O FC(F)(F)O[*:1] C[C@H]1[NH+]=c2ccc(cc2=C1CCN1C(=O)c2ccc(cc2C1=O)C(=O)[O-])[*:1]
COc1ccc(Nc2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)Nc1nnc(S[C@H](C(=O)N2CCCC2)[*:1])s1
COc1ccc(Nc2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)s2)cc1 COc1ccc(cc1)N[*:1] O=C([C@@H](Sc1nnc(s1)[*:1])c1ccccc1)N1CCCC1
COc1ccc(Nc2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)s2)cc1 COc1ccc(cc1)[*:1] O=C([C@@H](Sc1nnc(N[*:1])s1)c1ccccc1)N1CCCC1
COc1ccc(Nc2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)s2)cc1 O=C(N1CCCC1)[*:1] COc1ccc(cc1)Nc1nnc(S[C@H](c2ccccc2)[*:1])s1
Cc1ccc(-n2nnnc2SCC(=O)N(C2CCCC2)C2CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CSc1nnnn1[*:1])N(C1CCCC1)C1CC1
Cc1ccc(-n2nnnc2SCC(=O)N(C2CCCC2)C2CC2)c(C)c1 C1CCC(C1)[*:1] Cc1ccc(c(C)c1)-n1nnnc1SCC(=O)N(C1CC1)[*:1]
Cc1ccc(-n2nnnc2SCC(=O)N(C2CCCC2)C2CC2)c(C)c1 C1CC1[*:1] Cc1ccc(c(C)c1)-n1nnnc1SCC(=O)N(C1CCCC1)[*:1]
O=C(C[C@H]1COCC[NH2+]1)N(Cc1cccnc1)Cc1cccnc1 c1cncc(c1)C[*:1] O=C(C[C@H]1COCC[NH2+]1)N(Cc1cccnc1)[*:1]
O=C(C[C@H]1COCC[NH2+]1)N(Cc1cccnc1)Cc1cccnc1 c1cncc(c1)[*:1] O=C(C[C@H]1COCC[NH2+]1)N(Cc1cccnc1)C[*:1]
Cc1nc(CCC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)n[nH]1 Cc1nc(C[*:1])n[nH]1 O=C(C[*:1])N1CCC[NH+](CCCc2ccccc2)CC1
Cc1nc(CCC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)n[nH]1 c1ccc(cc1)CC[*:1] Cc1nc(CCC(=O)N2CCC[NH+](CC2)C[*:1])n[nH]1
Cc1nc(CCC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)n[nH]1 c1ccc(cc1)C[*:1] Cc1nc(CCC(=O)N2CCC[NH+](CC2)CC[*:1])n[nH]1
Cc1nc(CCC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(CC[*:1])N1CCC[NH+](CCCc2ccccc2)CC1
Cc1nc(CCC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(CCC(=O)N2CCC[NH+](CCC[*:1])CC2)n[nH]1
Cc1nc(CCC(=O)N2CCC[NH+](CCCc3ccccc3)CC2)n[nH]1 Cc1nc(CC[*:1])n[nH]1 O=C(N1CCC[NH+](CCCc2ccccc2)CC1)[*:1]
CCc1ccc([C@H](CO)NC(=O)c2cnc3[nH]nc(C)c3c2)cc1 CCc1ccc(cc1)[*:1] Cc1n[nH]c2ncc(cc12)C(=O)N[C@@H](CO)[*:1]
CC[C@H](NC(=O)C1C(C)(C)C1(C)C)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)C1C(C)(C)C1(C)C)[*:1]
CN(Cc1nc2ccccc2s1)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] CN(Cc1nc2ccccc2s1)C(=O)c1nc(n2ccccc12)[*:1]
O=C([O-])c1ccc(C#CC#CC2CC([O-])C2)cc1 [O-]C1CC(C1)[*:1] O=C([O-])c1ccc(C#CC#C[*:1])cc1
O=C([O-])c1ccc(C#CC#CC2CC([O-])C2)cc1 O=C([O-])[*:1] [O-]C1CC(C#CC#Cc2ccc(cc2)[*:1])C1
N#Cc1ccc(/C=C/CNc2ccc(-n3ccnc3)c(F)c2)cc1 N#Cc1ccc(cc1)[*:1] Fc1cc(ccc1-n1ccnc1)NCC=C[*:1]
N#Cc1ccc(/C=C/CNc2ccc(-n3ccnc3)c(F)c2)cc1 c1cn(cn1)[*:1] N#Cc1ccc(/C=C/CNc2ccc(c(F)c2)[*:1])cc1
N#Cc1cccc(NC(=O)C[NH+]2CCc3[nH]c4ccccc4c(=O)c3C2)c1 N#Cc1cccc(c1)[*:1] O=C(C[NH+]1CCc2[nH]c3ccccc3c(=O)c2C1)N[*:1]
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H](C)n2cncn2)cc1 c1ncn(n1)[*:1] Cc1ccc(cc1)S(=O)(=O)NCCN(C)C(=O)[C@@H](C)[*:1]
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H](C)n2cncn2)cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)N(C)CCNS(=O)(=O)[*:1])n1cncn1
C[NH+](C)[C@H]1CC[C@H](NC(=O)N(Cc2c(F)cccc2Cl)C2CC2)C1 C1CC1[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N(Cc1c(F)cccc1Cl)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N(Cc2c(F)cccc2Cl)C2CC2)C1 Fc1cccc(Cl)c1[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N(C[*:1])C1CC1
Cc1nn(C)c(C)c1[C@H](C)Nc1ccc2nnc(-c3ccccc3)n2n1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1[C@H](C)Nc1ccc2nnc(n2n1)[*:1]
Cc1nn(C)c(C)c1[C@H](C)Nc1ccc2nnc(-c3ccccc3)n2n1 Cc1nn(C)c(C)c1[*:1] C[C@H](Nc1ccc2nnc(-c3ccccc3)n2n1)[*:1]
Cc1ncsc1CN(C)[C@H](C[NH3+])CC(=O)N(C)C CN(C)C(=O)C[*:1] Cc1ncsc1CN(C)[C@H](C[NH3+])[*:1]
Cc1ncsc1CN(C)[C@H](C[NH3+])CC(=O)N(C)C CN(C)C(=O)[*:1] Cc1ncsc1CN(C)[C@H](C[NH3+])C[*:1]
Cc1ncsc1CN(C)[C@H](C[NH3+])CC(=O)N(C)C Cc1ncsc1[*:1] CN(C)C(=O)C[C@@H](C[NH3+])N(C)C[*:1]
Cc1ccccc1C[C@@H](CC(F)(F)F)C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1C[C@@H](CC(F)(F)F)[*:1]
Cc1ccccc1C[C@@H](CC(F)(F)F)C(=O)[O-] FC(F)(F)C[*:1] Cc1ccccc1C[C@@H](C(=O)[O-])[*:1]
Cc1ccccc1C[C@@H](CC(F)(F)F)C(=O)[O-] FC(F)(F)[*:1] Cc1ccccc1C[C@@H](C[*:1])C(=O)[O-]
COc1ccc([C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H]([NH2+]Cc1ccc2OCCCOc2c1)[*:1]
COc1ccc([C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H]([NH2+]Cc1ccc2OCCCOc2c1)[*:1]
CC1(C)[C@@H](NC(=O)CSCc2coc(-c3ccccc3)n2)[C@H]2CCO[C@@H]21 c1ccc(cc1)[*:1] CC1(C)[C@@H](NC(=O)CSCc2coc(n2)[*:1])[C@H]2CCO[C@@H]21
CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)cc1 CC(=O)N[*:1] C[C@@H]1CN(C(=O)c2ccc(cc2)[*:1])c2cc(Cl)ccc2O1
COc1ccc(OC)c([N+](=O)[O-])c1C=O O=[N+]([O-])[*:1] COc1ccc(OC)c(c1C=O)[*:1]
Nc1nnc(SCCC(=O)Nc2ccc3c(c2)OCO3)s1 Nc1nnc(s1)[*:1] O=C(CCS[*:1])Nc1ccc2OCOc2c1
Nc1nnc(SCCC(=O)Nc2ccc3c(c2)OCO3)s1 Nc1nnc(S[*:1])s1 O=C(CC[*:1])Nc1ccc2OCOc2c1
CCN(Cc1cccs1)C(=O)NCC(C)(C)[NH+](C)C c1csc(c1)[*:1] CCN(C[*:1])C(=O)NCC(C)(C)[NH+](C)C
CCN(Cc1cccs1)C(=O)NCC(C)(C)[NH+](C)C c1csc(c1)C[*:1] CCN(C(=O)NCC(C)(C)[NH+](C)C)[*:1]
O=C(Cc1ccncc1)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 c1cc(ccn1)[*:1] O=C(C[*:1])N1CCC[C@@]2(C=Cc3ccccc3O2)CC1
O=C(Cc1ccncc1)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 c1cc(ccn1)C[*:1] O=C(N1CCC[C@@]2(C=Cc3ccccc3O2)CC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2cccc(N3CCNC3=O)c2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2cccc(c2)N2CCNC2=O)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2cccc(N3CCNC3=O)c2)c1C1CC1 O=C1NCCN1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2cccc(c2)[*:1])c1C1CC1
COc1ccccc1[C@H](N[C@H](C)c1scnc1C)c1ccccc1 COc1ccccc1[*:1] Cc1ncsc1[C@@H](C)N[C@H](c1ccccc1)[*:1]
COc1ccccc1[C@H](N[C@H](C)c1scnc1C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@H](N[C@H](C)c1scnc1C)[*:1]
COc1ccccc1[C@H](N[C@H](C)c1scnc1C)c1ccccc1 Cc1ncsc1[*:1] COc1ccccc1[C@H](N[C@H](C)[*:1])c1ccccc1
O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(s1)C(=O)CCC2 c1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1nc2CCCC(=O)c2s1
Cc1ccc(CSc2nc(N)cc(N3CC[C@H]([NH+](C)C)[C@@H](O)C3)n2)cc1 Cc1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CCN(C[C@@H]1O)c1cc(N)nc(n1)S[*:1]
Cc1ccc(CSc2nc(N)cc(N3CC[C@H]([NH+](C)C)[C@@H](O)C3)n2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CCN(C[C@@H]1O)c1cc(N)nc(n1)SC[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H]1c1cccs1 COC[*:1] O=C([C@H]1c2ccccc2C(=O)N(C[*:1])[C@@H]1c1cccs1)N1CCN(CC1)c1ccc(F)cc1
COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H]1c1cccs1 c1csc(c1)[*:1] COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(CC2)c2ccc(F)cc2)[C@@H]1[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H]1c1cccs1 COCC[*:1] O=C([C@H]1c2ccccc2C(=O)N([C@@H]1c1cccs1)[*:1])N1CCN(CC1)c1ccc(F)cc1
COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H]1c1cccs1 Fc1ccc(cc1)[*:1] COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(CC2)[*:1])[C@H]1c1cccs1
CC(C)(C)N1C[C@H]([NH2+][C@H](CC2CCCCC2)c2ncccn2)CC1=O CC(C)(C)[*:1] O=C1C[C@H](CN1[*:1])[NH2+][C@H](CC1CCCCC1)c1ncccn1
CC(C)(C)N1C[C@H]([NH2+][C@H](CC2CCCCC2)c2ncccn2)CC1=O C1CCC(CC1)C[*:1] CC(C)(C)N1C[C@@H](CC1=O)[NH2+][C@H](c1ncccn1)[*:1]
CC(C)(C)N1C[C@H]([NH2+][C@H](CC2CCCCC2)c2ncccn2)CC1=O C1CCC(CC1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)[NH2+][C@H](C[*:1])c1ncccn1
CC(C)(C)N1C[C@H]([NH2+][C@H](CC2CCCCC2)c2ncccn2)CC1=O c1cnc(nc1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)[NH2+][C@H](CC1CCCCC1)[*:1]
O[C@H](CNCc1cc(Br)cs1)c1ccco1 c1coc(c1)[*:1] O[C@H](CNCc1cc(Br)cs1)[*:1]
CCOc1cccc(C(C)(C)[C@H]2CC[C@@H](C)C[C@@H]2O)c1 CCO[*:1] C[C@@H]1CC[C@@H]([C@@H](O)C1)C(C)(C)c1cccc(c1)[*:1]
CN(CCS(C)(=O)=O)S(=O)(=O)C[C@H]1CCCC[NH2+]1 CS(=O)(=O)C[*:1] CN(C[*:1])S(=O)(=O)C[C@H]1CCCC[NH2+]1
CN(CCS(C)(=O)=O)S(=O)(=O)C[C@H]1CCCC[NH2+]1 CS(=O)(=O)CC[*:1] CN(S(=O)(=O)C[C@H]1CCCC[NH2+]1)[*:1]
CN(CCS(C)(=O)=O)S(=O)(=O)C[C@H]1CCCC[NH2+]1 CS(=O)(=O)[*:1] CN(CC[*:1])S(=O)(=O)C[C@H]1CCCC[NH2+]1
C[C@@H]([NH3+])c1cn(C)nc1C(F)(F)F FC(F)(F)[*:1] C[C@@H]([NH3+])c1cn(C)nc1[*:1]
Cc1nc(Nc2ccc(OC(C)C)cc2)cc(-c2ccccc2)n1 CC(C)[*:1] Cc1nc(cc(n1)-c1ccccc1)Nc1ccc(cc1)O[*:1]
Cc1nc(Nc2ccc(OC(C)C)cc2)cc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc(cc(n1)[*:1])Nc1ccc(cc1)OC(C)C
Cc1nc(Nc2ccc(OC(C)C)cc2)cc(-c2ccccc2)n1 CC(C)O[*:1] Cc1nc(cc(n1)-c1ccccc1)Nc1ccc(cc1)[*:1]
N#Cc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(/C=C(\Cl)c2nnc(s2)C(=O)N[*:1])cc1
N#Cc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 N#Cc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)C(Cl)=C[*:1]
Cc1cccc(CN2CCN(S(=O)(=O)CC3CCC3)CC2)c1 C1CC(C1)C[*:1] Cc1cccc(c1)CN1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(CN2CCN(S(=O)(=O)CC3CCC3)CC2)c1 C1CC(C1)[*:1] Cc1cccc(c1)CN1CCN(CC1)S(=O)(=O)C[*:1]
Cc1cccc(CN2CCN(S(=O)(=O)CC3CCC3)CC2)c1 Cc1cccc(c1)[*:1] O=S(=O)(CC1CCC1)N1CCN(CC1)C[*:1]
Cn1ncnc1CCNC(=O)C1(NC(=O)OC(C)(C)C)CCCC1 CC(C)(C)OC(=O)N[*:1] Cn1ncnc1CCNC(=O)C1(CCCC1)[*:1]
Cn1ncnc1CCNC(=O)C1(NC(=O)OC(C)(C)C)CCCC1 CC(C)(C)[*:1] Cn1ncnc1CCNC(=O)C1(CCCC1)NC(=O)O[*:1]
Cn1ncnc1CCNC(=O)C1(NC(=O)OC(C)(C)C)CCCC1 Cn1ncnc1[*:1] CC(C)(C)OC(=O)NC1(CCCC1)C(=O)NCC[*:1]
Cn1ncnc1CCNC(=O)C1(NC(=O)OC(C)(C)C)CCCC1 Cn1ncnc1CC[*:1] CC(C)(C)OC(=O)NC1(CCCC1)C(=O)N[*:1]
Cn1ncnc1CCNC(=O)C1(NC(=O)OC(C)(C)C)CCCC1 Cn1ncnc1C[*:1] CC(C)(C)OC(=O)NC1(CCCC1)C(=O)NC[*:1]
Cc1nn2c(nc(NCCCN3CCCC3=O)c3ccccc32)c1Cl O=C1CCCN1C[*:1] Cc1nn2c(nc(NCC[*:1])c3ccccc32)c1Cl
Cc1nn2c(nc(NCCCN3CCCC3=O)c3ccccc32)c1Cl O=C1CCCN1[*:1] Cc1nn2c(nc(NCCC[*:1])c3ccccc32)c1Cl
Cc1nn2c(nc(NCCCN3CCCC3=O)c3ccccc32)c1Cl O=C1CCCN1CC[*:1] Cc1nn2c(nc(NC[*:1])c3ccccc32)c1Cl
COc1cc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-c1nnc(NC(=O)C=C[*:1])o1
COc1cc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)cc(OC)c1OC C(=C[*:1])c1ccccc1 COc1cc(cc(OC)c1OC)-c1nnc(NC(=O)[*:1])o1
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1)c1cc2ccoc2cn1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)NCc1ccc(F)cc1)c1cc2ccoc2cn1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1)c1cc2ccoc2cn1 Fc1ccc(cc1)C[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1cc2ccoc2cn1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1)c1cc2ccoc2cn1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)NCc1ccc(F)cc1)[*:1])c1cc2ccoc2cn1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1)c1cc2ccoc2cn1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)NC[*:1])c1cc2ccoc2cn1
CCc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)n(C)n1 CCc1cc(n(C)n1)[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1ccc(cc1)-n1cccn1
CCc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)n(C)n1 c1cnn(c1)[*:1] CCc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(cc2)[*:1])n(C)n1
CC(C)CC1([C@@H](O)[C@H](C[NH3+])c2cccc(Cl)c2)CCCC1 Clc1cccc(c1)[*:1] CC(C)CC1(CCCC1)[C@@H](O)[C@H](C[NH3+])[*:1]
CC(C)CC1([C@@H](O)[C@H](C[NH3+])c2cccc(Cl)c2)CCCC1 CC(C)C[*:1] [NH3+]C[C@H](c1cccc(Cl)c1)[C@H](O)C1(CCCC1)[*:1]
CC(C)CC1([C@@H](O)[C@H](C[NH3+])c2cccc(Cl)c2)CCCC1 CC(C)[*:1] [NH3+]C[C@H](c1cccc(Cl)c1)[C@H](O)C1(CCCC1)C[*:1]
Cc1nn(C)c(C)c1CCCNC(=O)N[C@@H]1c2ccccc2C[C@H]1C Cc1nn(C)c(C)c1[*:1] C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCCC[*:1]
CC[C@@H](CCO)CNC(=O)c1cc([O-])[nH]c(=O)c1 CC[C@@H](CCO)[*:1] O=C(NC[*:1])c1cc([O-])[nH]c(=O)c1
CC[C@@H](CCO)CNC(=O)c1cc([O-])[nH]c(=O)c1 OCC[*:1] CC[C@@H](CNC(=O)c1cc([O-])[nH]c(=O)c1)[*:1]
CCOc1ccccc1-c1cccc(C(=O)Nc2nc(C(C)=O)cs2)c1 CC(=O)c1csc(n1)[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)N[*:1]
CCOc1ccccc1-c1cccc(C(=O)Nc2nc(C(C)=O)cs2)c1 CCO[*:1] CC(=O)c1csc(n1)NC(=O)c1cccc(c1)-c1ccccc1[*:1]
CCOc1ccccc1-c1cccc(C(=O)Nc2nc(C(C)=O)cs2)c1 CC(=O)[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)Nc1nc(cs1)[*:1]
Cc1c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)nnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)N[C@H]1c2ccccc2C[C@H]1O
Cc1nc2ncnn2c(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] Cc1nc2ncnn2c(N[C@H]2CCO[C@H]2[*:1])c1C
COC(=O)C[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1Cl COC(=O)C[*:1] C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)[*:1]
COC(=O)C[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)C[C@@H](C)NC(=O)[C@@H](C)NC(=O)[*:1]
COC(=O)C[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1Cl COC(=O)C[C@@H](C)[*:1] C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[*:1]
COC(=O)C[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1Cl COC(=O)[*:1] C[C@H](C[*:1])NC(=O)[C@@H](C)NC(=O)c1ccccc1Cl
Cc1csc([C@H](C)NC(=O)N[C@H](C)c2ncc(C)s2)n1 Cc1csc(n1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N[C@@H](C)[*:1]
Cc1csc([C@H](C)NC(=O)N[C@H](C)c2ncc(C)s2)n1 Cc1cnc(s1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)N[C@H](C)[*:1]
Cc1cnc(CNC(=O)c2cccc(-c3ccoc3)c2)s1 c1cc(co1)[*:1] Cc1cnc(CNC(=O)c2cccc(c2)[*:1])s1
Cc1cnc(CNC(=O)c2cccc(-c3ccoc3)c2)s1 Cc1cnc(C[*:1])s1 O=C(N[*:1])c1cccc(c1)-c1ccoc1
Cc1cnc(CNC(=O)c2cccc(-c3ccoc3)c2)s1 Cc1cnc(s1)[*:1] O=C(NC[*:1])c1cccc(c1)-c1ccoc1
COc1cc(C)cc(CNC(=O)N2CCC(n3cccn3)CC2)c1 c1cnn(c1)[*:1] COc1cc(C)cc(c1)CNC(=O)N1CCC(CC1)[*:1]
COc1ccc([C@@H]2C[C@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1OC CC(C)c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1C[C@H](Nc2ncnn21)[*:1]
COc1ccc([C@@H]2C[C@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1OC CC(C)[*:1] COc1ccc(cc1OC)[C@@H]1C[C@@H](Nc2ncnn21)c1ccc(cc1)[*:1]
CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CC)Cc1ccccn1 c1ccc(C[*:1])nc1 CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CC)[*:1]
CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CC)Cc1ccccn1 c1ccc(nc1)[*:1] CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CC)C[*:1]
CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CC)Cc1ccccn1 c1ccc(nc1)[*:1] CC[C@@H]([NH3+])[C@@H](N(CC)Cc1ccccn1)[*:1]
C[C@@H]1CCC[C@@]([NH3+])(Cc2nc(C(C)(C)C)cs2)C1 CC(C)(C)[*:1] C[C@@H]1CCC[C@@]([NH3+])(Cc2nc(cs2)[*:1])C1
CC[C@]1(C(C)C)NC(=O)N(C[C@H](O)COc2cccc3ccccc23)C1=O CC(C)[*:1] CC[C@@]1(NC(=O)N(C[C@H](O)COc2cccc3ccccc23)C1=O)[*:1]
O=S(=O)(c1cccc(-n2cnnn2)c1)N(Cc1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)C[*:1] O=S(=O)(c1cccc(c1)-n1cnnn1)N(C1CC1)[*:1]
O=S(=O)(c1cccc(-n2cnnn2)c1)N(Cc1ccc(Cl)cc1)C1CC1 c1nnnn1[*:1] O=S(=O)(c1cccc(c1)[*:1])N(Cc1ccc(Cl)cc1)C1CC1
O=S(=O)(c1cccc(-n2cnnn2)c1)N(Cc1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] O=S(=O)(c1cccc(c1)-n1cnnn1)N(C[*:1])C1CC1
O=S(=O)(c1cccc(-n2cnnn2)c1)N(Cc1ccc(Cl)cc1)C1CC1 C1CC1[*:1] O=S(=O)(c1cccc(c1)-n1cnnn1)N(Cc1ccc(Cl)cc1)[*:1]
Cc1ccccc1OCCC(=O)N[C@@](C)(C(=O)[O-])C1CC1 Cc1ccccc1[*:1] C[C@](NC(=O)CCO[*:1])(C(=O)[O-])C1CC1
Cc1ccccc1OCCC(=O)N[C@@](C)(C(=O)[O-])C1CC1 O=C([O-])[*:1] Cc1ccccc1OCCC(=O)N[C@@](C)(C1CC1)[*:1]
Cc1ccccc1OCCC(=O)N[C@@](C)(C(=O)[O-])C1CC1 C1CC1[*:1] Cc1ccccc1OCCC(=O)N[C@@](C)(C(=O)[O-])[*:1]
O=C(/C=C/c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 c1csc(c1)[*:1] O=C(C=C[*:1])N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1
O=C(/C=C/c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(/C=C/c1cccs1)N1CC[NH+](CC1)C(c1ccccc1)[*:1]
O=C(/C=C/c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 C(=C[*:1])c1cccs1 O=C(N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1)[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 Cc1cc(Br)ccc1[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)N(C)CC(=O)N[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)nc(C)n2[*:1]
Cc1noc(C(C)C)c1C(=O)NCc1cccnc1 CC(C)[*:1] Cc1noc(c1C(=O)NCc1cccnc1)[*:1]
Cc1noc(C(C)C)c1C(=O)NCc1cccnc1 c1cncc(c1)[*:1] Cc1noc(c1C(=O)NC[*:1])C(C)C
COCCCn1cnnc1SCc1nc2ccccc2[nH]1 COC[*:1] c1ccc2[nH]c(CSc3nncn3CC[*:1])nc2c1
COCCCn1cnnc1SCc1nc2ccccc2[nH]1 COCCC[*:1] c1ccc2[nH]c(CSc3nncn3[*:1])nc2c1
COCCCn1cnnc1SCc1nc2ccccc2[nH]1 COCC[*:1] c1ccc2[nH]c(CSc3nncn3C[*:1])nc2c1
NS(=O)(=O)CCCNC(=O)[C@@H]1CC=CCC1 NS(=O)(=O)C[*:1] O=C(NCC[*:1])[C@@H]1CC=CCC1
NS(=O)(=O)CCCNC(=O)[C@@H]1CC=CCC1 NS(=O)(=O)[*:1] O=C(NCCC[*:1])[C@@H]1CC=CCC1
O=C(NCc1nnc2n1CCN(C(=O)c1csc3c1CCCC3)CC2)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(c1csc2CCCCc12)N1CCc2nnc(CNC(=O)[*:1])n2CC1
O=C(NCc1nnc2n1CCN(C(=O)c1csc3c1CCCC3)CC2)c1c(F)cccc1F O=C(N[*:1])c1c(F)cccc1F O=C(c1csc2CCCCc12)N1CCc2nnc(C[*:1])n2CC1
O=C(NCc1nnc2n1CCN(C(=O)c1csc3c1CCCC3)CC2)c1c(F)cccc1F c1sc2CCCCc2c1[*:1] O=C(NCc1nnc2CCN(CCn21)C(=O)[*:1])c1c(F)cccc1F
Cc1csc(CN2CCCC[C@H]2/C(N)=N/O)n1 N/C(=N\O)[*:1] Cc1csc(CN2CCCC[C@@H]2[*:1])n1
COc1ccccc1[C@H](C)NC(=O)CN1CCc2c(F)ccc(F)c2C1 COc1ccccc1[*:1] C[C@H](NC(=O)CN1CCc2c(F)ccc(F)c2C1)[*:1]
COc1ccc(N(C)C(=O)CCCO)cc1 OCCC[*:1] COc1ccc(cc1)N(C)C(=O)[*:1]
COc1ccc(N(C)C(=O)CCCO)cc1 OCC[*:1] COc1ccc(cc1)N(C)C(=O)C[*:1]
COc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])c1 C1CC1[*:1] COc1ccc(NC(=O)c2ccc(cc2)NC(=O)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])c1 O=C(N[*:1])C1CC1 COc1ccc(NC(=O)c2ccc(cc2)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)c2ccc(cc2)NC(=O)C2CC2)c(c1)[*:1]
CSc1ccc(-c2noc(Cn3cnc4c(sc5cccc(Cl)c54)c3=O)n2)cc1 CSc1ccc(cc1)[*:1] O=c1c2sc3cccc(Cl)c3c2ncn1Cc1nc(no1)[*:1]
C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCc2n[nH]cc2C1 Fc1ccc(cc1)[*:1] C[C@@H](CC(=O)N[*:1])[NH2+][C@@H]1CCc2n[nH]cc2C1
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)CCc2ccccc2F)CC1 CC(C)[*:1] C[C@H](CCc1ccccc1F)C(=O)N1CCN(CC1)[C@H](C#N)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)CCc2ccccc2F)CC1 CC(C)[C@@H](C#N)[*:1] C[C@H](CCc1ccccc1F)C(=O)N1CCN(CC1)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)CCc2ccccc2F)CC1 Fc1ccccc1C[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)[C@H](C)C[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)CCc2ccccc2F)CC1 Fc1ccccc1[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)[C@H](C)CC[*:1]
CC(C)[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)[*:1]
CC(C)[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)C(=O)N1CCOCC1 CC(C)[*:1] O=C([C@H]([NH2+]Cc1cc2cc(F)ccc2o1)[*:1])N1CCOCC1
COc1ccc([C@H](CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)N2CC[NH+](C)CC2)cc1 Cc1cc(C)c(c(C)c1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)C(=O)N[*:1])N1CC[NH+](C)CC1
COc1ccc([C@H](CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)N2CC[NH+](C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)C(=O)NC[C@H](N2CC[NH+](C)CC2)[*:1])c(C)c1
OCc1cccc2c1C(c1ccccc1)(c1ccccc1)OC2 c1ccc(cc1)[*:1] OCc1cccc2COC(c3ccccc3)(c12)[*:1]
O=C(NCCNS(=O)(=O)c1cccc2nonc12)C1=CC2=CC=N[C@@H]2C=C1 c1cc(c2nonc2c1)[*:1] O=C(NCCNS(=O)(=O)[*:1])C1C=C[C@H]2N=CC=C2C=1
Cc1noc([C@H](C)OC(=O)COc2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] Cc1noc(n1)[C@H](C)OC(=O)COc1cccc(c1)[*:1]
Cc1noc([C@H](C)OC(=O)COc2cccc([N+](=O)[O-])c2)n1 Cc1noc(n1)[*:1] C[C@H](OC(=O)COc1cccc(c1)[N+](=O)[O-])[*:1]
Cc1nc(-c2cccc(C[NH2+][C@H](C)CC(N)=O)c2)n[nH]1 NC(=O)C[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C[NH2+][C@H](C)[*:1]
Cc1nc(-c2cccc(C[NH2+][C@H](C)CC(N)=O)c2)n[nH]1 NC(=O)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C[NH2+][C@H](C)C[*:1]
Cc1nc(-c2cccc(C[NH2+][C@H](C)CC(N)=O)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@H](CC(N)=O)[NH2+]Cc1cccc(c1)[*:1]
Cn1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cn1 FC(F)(F)O[*:1] Cn1cc(cn1)C(=O)NCc1ccc(cc1)[*:1]
Cn1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cn1 Cn1cc(cn1)[*:1] O=C(NCc1ccc(cc1)OC(F)(F)F)[*:1]
Cn1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cn1 FC(F)(F)[*:1] Cn1cc(cn1)C(=O)NCc1ccc(cc1)O[*:1]
CNC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1 CNC(=O)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)[C@H](C)NC(=O)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1COc2ccccc2O1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(NC[C@@H]2COc3ccccc3O2)c(c1)[*:1])N1CCOCC1
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1COc2ccccc2O1 O=S(=O)(N1CCOCC1)[*:1] O=[N+]([O-])c1cc(ccc1NC[C@@H]1COc2ccccc2O1)[*:1]
O=S(=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1NC[C@H]1CCCO1 c1ccc(cc1)[*:1] O=S(=O)(c1nc(oc1NC[C@H]1CCCO1)-c1ccc(Cl)cc1)[*:1]
O=S(=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1NC[C@H]1CCCO1 Clc1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)c1nc(oc1NC[C@H]1CCCO1)[*:1]
O=S(=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1NC[C@H]1CCCO1 O=S(=O)(c1ccccc1)[*:1] Clc1ccc(cc1)-c1nc(c(NC[C@H]2CCCO2)o1)[*:1]
COc1ccc(CNC(=O)c2snc(-c3ccccn3)c2NC(=O)C2CC2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])c1snc(-c2ccccn2)c1NC(=O)C1CC1
COc1ccc(CNC(=O)c2snc(-c3ccccn3)c2NC(=O)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CNC(=O)c1snc(-c2ccccn2)c1NC(=O)[*:1]
COc1ccc(CNC(=O)c2snc(-c3ccccn3)c2NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 COc1ccc(cc1)CNC(=O)c1snc(-c2ccccn2)c1[*:1]
COc1ccc(CNC(=O)c2snc(-c3ccccn3)c2NC(=O)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1snc(-c2ccccn2)c1NC(=O)C1CC1
COc1ccc(CNC(=O)c2snc(-c3ccccn3)c2NC(=O)C2CC2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)CNC(=O)c1snc(c1NC(=O)C1CC1)[*:1]
Cc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1 Cc1cc(on1)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)[*:1]
Cc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(on1)-c1ccc(C)c(c1)S(=O)(=O)N[*:1]
O=C(N[C@@H]1CCCCC[C@H]1C(=O)[O-])c1cccc(F)c1 O=C([O-])[*:1] O=C(N[C@@H]1CCCCC[C@@H]1[*:1])c1cccc(F)c1
CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)N1CCN(CC1)[*:1]
CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)N1CCN(c2ncccn2)CC1 Cc1cccc(c1)[*:1] CCOc1nc2c(c(C)nn2[*:1])c(C)c1CCC(=O)N1CCN(CC1)c1ncccn1
CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)N1CCN(c2ncccn2)CC1 CCO[*:1] Cc1cccc(c1)-n1nc(C)c2c(C)c(CCC(=O)N3CCN(CC3)c3ncccn3)c(nc21)[*:1]
CC(=O)Nc1cccc(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1 Clc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)N1CCO[C@H](C1)[*:1]
CC(=O)Nc1cccc(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])N1CCO[C@@H](C1)c1ccc(Cl)cc1
CC(C)NC(=O)Nc1ccccc1OCC(N)=S NC(=S)CO[*:1] CC(C)NC(=O)Nc1ccccc1[*:1]
CC(C)NC(=O)Nc1ccccc1OCC(N)=S CC(C)[*:1] NC(=S)COc1ccccc1NC(=O)N[*:1]
CC(C)NC(=O)Nc1ccccc1OCC(N)=S NC(=S)C[*:1] CC(C)NC(=O)Nc1ccccc1O[*:1]
CC(C)NC(=O)Nc1ccccc1OCC(N)=S NC(=S)[*:1] CC(C)NC(=O)Nc1ccccc1OC[*:1]
C[C@H]1CCc2c(sc(NC(=O)c3cccc(CC#N)c3)c2C#N)C1 N#CC[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1cccc(c1)[*:1])c2C#N
O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] O=C(N[C@H]1CCN(C1)c1ncccc1F)c1cccc(c1)[*:1]
O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cccc(-n2cccn2)c1 Fc1cccnc1[*:1] O=C(N[C@H]1CCN(C1)[*:1])c1cccc(c1)-n1cccn1
Cc1cc(F)cc([C@@H](C)[C@H](C)Cl)c1 C[C@H](Cl)[*:1] Cc1cc(F)cc(c1)[C@@H](C)[*:1]
COc1cccc(CC(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)c1 COc1cccc(c1)C[*:1] O=C(N1CCN(CC1)Cc1nc(cs1)-c1ccc(F)cc1)[*:1]
COc1cccc(CC(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)Cc1nc(cs1)[*:1]
COc1cccc(CC(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N1CCN(CC1)Cc1nc(cs1)-c1ccc(F)cc1
CC(=O)N[C@@H](CC(=O)N1CCc2sccc2[C@@H]1C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCc2sccc2[C@@H]1C)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCc2sccc2[C@@H]1C)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@H](CC(=O)N1CCc2sccc2[C@@H]1C)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)CC2CCC2)c1 C1CC(C1)[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)C[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)CC2CCC2)c1 CC(=O)N(C)C[*:1] O=C(CC1CCC1)Nc1cccc(c1)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)CC2CCC2)c1 CC(=O)N(C)[*:1] O=C(CC1CCC1)Nc1cccc(c1)C[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)CC2CCC2)c1 C1CC(C1)C[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)[*:1]
C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1C[C@@H](C)S[C@H](C)C1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)NC(=O)N[*:1])N1C[C@@H](C)S[C@H](C)C1
C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1C[C@@H](C)S[C@H](C)C1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC(=O)NC[*:1])N1C[C@@H](C)S[C@H](C)C1
Cc1nc(CN2CCN(C(=O)c3c[nH]c4cccc(F)c34)CC2)oc1C Cc1nc(C[*:1])oc1C O=C(c1c[nH]c2cccc(F)c12)N1CCN(CC1)[*:1]
Cc1nc(CN2CCN(C(=O)c3c[nH]c4cccc(F)c34)CC2)oc1C Cc1nc(oc1C)[*:1] O=C(c1c[nH]c2cccc(F)c12)N1CCN(CC1)C[*:1]
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC1=C(c2cccs2)CCC1=O CCNC(=O)[*:1] [NH3+][C@@H]1C[C@H](N(C1)C(=O)CC1C(=O)CCC=1c1cccs1)[*:1]
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC1=C(c2cccs2)CCC1=O c1csc(c1)[*:1] CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC1C(=O)CCC=1[*:1]
CC(C)C(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 CC(C)[*:1] O=C(N1CCC[C@H](CCc2ccc(F)c(F)c2)C1)[*:1]
COc1ccc(C[C@H](C)CN(C)C(=O)NCC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C[C@H](C)CN(C)C(=O)NC[*:1]
COc1ccc(C[C@H](C)CN(C)C(=O)NCC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)C[C@H](C)CN(C)C(=O)N[*:1]
CCCC(=O)NCC1CC[NH+](CCC(C)C)CC1 CCCC(=O)N[*:1] CC(C)CC[NH+]1CCC(CC1)C[*:1]
CCCC(=O)NCC1CC[NH+](CCC(C)C)CC1 CCC[*:1] CC(C)CC[NH+]1CCC(CC1)CNC(=O)[*:1]
CCCC(=O)NCC1CC[NH+](CCC(C)C)CC1 CC(C)C[*:1] CCCC(=O)NCC1CC[NH+](CC1)C[*:1]
CCCC(=O)NCC1CC[NH+](CCC(C)C)CC1 CC(C)[*:1] CCCC(=O)NCC1CC[NH+](CC1)CC[*:1]
CCCC(=O)NCC1CC[NH+](CCC(C)C)CC1 CC(C)CC[*:1] CCCC(=O)NCC1CC[NH+](CC1)[*:1]
Cc1ccc(Cc2nnc(NC(=O)c3cccc(Cl)c3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nnc(C[*:1])o1)c1cccc(Cl)c1
Cc1ccc(Cc2nnc(NC(=O)c3cccc(Cl)c3)o2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)Cc1nnc(NC(=O)[*:1])o1
C[C@@]1(c2ccccc2F)NC(=O)N(Cc2cn3ccccc3n2)C1=O Fc1ccccc1[*:1] C[C@]1(NC(=O)N(Cc2cn3ccccc3n2)C1=O)[*:1]
CN(Cc1ccccc1C(F)(F)F)Cn1ncn(C2CC2)c1=S FC(F)(F)[*:1] CN(Cc1ccccc1[*:1])Cn1ncn(c1=S)C1CC1
CN(Cc1ccccc1C(F)(F)F)Cn1ncn(C2CC2)c1=S C1CC1[*:1] CN(Cc1ccccc1C(F)(F)F)Cn1ncn(c1=S)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)CSc2ccc(F)c(F)c2)c1 CCN(CC)C(=O)[*:1] O=C(CSc1ccc(F)c(F)c1)Nc1cccc(c1)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)CSc2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)CS[*:1]
COc1cc(NS(=O)(=O)c2cc(Cl)ccc2C)ccc1NC(C)=O Cc1ccc(Cl)cc1[*:1] COc1cc(ccc1NC(C)=O)NS(=O)(=O)[*:1]
COc1cc(NS(=O)(=O)c2cc(Cl)ccc2C)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])NS(=O)(=O)c1cc(Cl)ccc1C
O=C(C(=C1NCCN1)n1ccnc1)c1ccc(Cl)cc1 c1cn(cn1)[*:1] O=C(C(=C1NCCN1)[*:1])c1ccc(Cl)cc1
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC3=c4ccccc4=[NH+]C3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@@](NC(=O)c1cc(Br)c[nH]1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@](NC(=O)c1cc(Br)c[nH]1)(C(F)(F)F)[*:1]
C[C@@](NC(=O)c1cc(Br)c[nH]1)(C(=O)[O-])C(F)(F)F Brc1c[nH]c(c1)[*:1] C[C@@](NC(=O)[*:1])(C(=O)[O-])C(F)(F)F
C[C@@](NC(=O)c1cc(Br)c[nH]1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@](NC(=O)c1cc(Br)c[nH]1)(C(=O)[O-])[*:1]
Cc1cnccc1CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 Cc1cnccc1[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
Cc1cnccc1CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 Cc1cnccc1C[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
Cc1cnccc1CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1cnccc1CCNC(=O)C(=O)Nc1ccc(cc1)[*:1]
C=CC[NH2+]CC(=O)N(C)C[C@@H]1CCCO1 C=CC[*:1] CN(C[C@@H]1CCCO1)C(=O)C[NH2+][*:1]
C=CC[NH2+]CC(=O)N(C)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C=CC[NH2+]CC(=O)N(C)C[*:1]
NC(=O)c1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1cccc(c1)[N+](=O)[O-]
NC(=O)c1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] NC(=O)c1ccc(/C=C/C(=O)Nc2cccc(c2)[*:1])cc1
Fc1ccc([C@@H]2CN(C3CCSCC3)CCO2)cc1Cl C1CC(CCS1)[*:1] Fc1ccc(cc1Cl)[C@@H]1CN(CCO1)[*:1]
CC(C)(C)c1cc(C(=O)Nc2cccc(-n3cnnc3)c2)[nH]n1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)-n1cnnc1)c1cc(n[nH]1)[*:1]
CC(C)(C)c1cc(C(=O)Nc2cccc(-n3cnnc3)c2)[nH]n1 c1nncn1[*:1] CC(C)(C)c1cc([nH]n1)C(=O)Nc1cccc(c1)[*:1]
COc1ccccc1NC(=O)Nc1nnc(N2[C@@H](C)CCC[C@H]2C)s1 COc1ccccc1[*:1] C[C@H]1CCC[C@@H](C)N1c1nnc(NC(=O)N[*:1])s1
Cn1ccnc1C(=O)N1CCC[C@H](Cn2cc(C[NH3+])nn2)C1 Cn1ccnc1[*:1] [NH3+]Cc1cn(C[C@H]2CCCN(C2)C(=O)[*:1])nn1
C[C@@H](CC[NH+](C)C)NC(=O)Cn1cccc1C(=O)[O-] O=C([O-])[*:1] C[C@@H](CC[NH+](C)C)NC(=O)Cn1cccc1[*:1]
COCC[NH2+][C@H](C)[C@H](C)[C@H]1CCc2cccnc21 COCC[*:1] C[C@@H]([NH2+][*:1])[C@H](C)[C@H]1CCc2cccnc21
COCC[NH2+][C@H](C)[C@H](C)[C@H]1CCc2cccnc21 COC[*:1] C[C@@H]([NH2+]C[*:1])[C@H](C)[C@H]1CCc2cccnc21
O=C([O-])[C@H]1CC(=O)N(CC2CCCC2)C1 O=C([O-])[*:1] O=C1C[C@@H](CN1CC1CCCC1)[*:1]
O=C([O-])[C@H]1CC(=O)N(CC2CCCC2)C1 C1CCC(C1)[*:1] O=C([O-])[C@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(OC(F)F)c(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 FC(F)[*:1] Cc1ccc(O[*:1])c(c1)C[NH+]1CCC(CC1)CC(=O)N1CCN(C)CC1
Cc1ccc(OC(F)F)c(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 FC(F)O[*:1] Cc1ccc(c(c1)C[NH+]1CCC(CC1)CC(=O)N1CCN(C)CC1)[*:1]
Cc1ccc(OC(F)F)c(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 CN1CCN(CC1)C(=O)[*:1] Cc1ccc(OC(F)F)c(c1)C[NH+]1CCC(CC1)C[*:1]
CC(C)[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)[C@@H](NC(=O)c1cc(ccc1Cl)S(C)(=O)=O)[*:1]
CC(C)[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1nc2ccccc2[nH]1 CS(=O)(=O)[*:1] CC(C)[C@@H](NC(=O)c1cc(ccc1Cl)[*:1])c1nc2ccccc2[nH]1
CC(C)[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1nc2ccccc2[nH]1 CC(C)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
Cc1c(O)c(=O)ccn1CCO OCC[*:1] Cc1c(O)c(=O)ccn1[*:1]
CSC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 O=[N+]([O-])[*:1] CSC1(CCOCC1)C[NH2+][C@@H](C)c1cccc(c1C)[*:1]
CC(C)(C)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CC(C)(C)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 CC(C)(C)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O)C1CC1
CC(C)[C@](C)(CC(=O)NC#N)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@](C)(CC(=O)NC#N)[*:1]
CC(C)[C@](C)(CC(=O)NC#N)C(=O)[O-] CC(C)[*:1] C[C@](CC(=O)NC#N)(C(=O)[O-])[*:1]
CCc1ccc(C(=O)NNS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)C(=O)NNS(=O)(=O)c1cc(ccc1CC)[*:1]
CCc1ccc(C(=O)NNS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)cc1 CCc1ccc(cc1)[*:1] CCc1ccc(cc1S(=O)(=O)NNC(=O)[*:1])[N+](=O)[O-]
CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N(C)Cc1nc(C)cs1)C2 O=C(N1CCOCC1)[*:1] CCn1nc(c2C[C@H](CCc21)N(C)Cc1nc(C)cs1)[*:1]
CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N(C)Cc1nc(C)cs1)C2 Cc1csc(n1)[*:1] CCn1nc(C(=O)N2CCOCC2)c2C[C@H](CCc21)N(C)C[*:1]
CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N(C)Cc1nc(C)cs1)C2 Cc1csc(C[*:1])n1 CCn1nc(C(=O)N2CCOCC2)c2C[C@H](CCc21)N(C)[*:1]
CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N(C)Cc1nc(C)cs1)C2 Cc1csc(CN(C)[*:1])n1 CCn1nc(C(=O)N2CCOCC2)c2C[C@@H](CCc21)[*:1]
O=C(CCS(=O)(=O)c1ccccc1)NCC#CCOc1ccccc1F Fc1ccccc1O[*:1] O=C(CCS(=O)(=O)c1ccccc1)NCC#CC[*:1]
O=C(CCS(=O)(=O)c1ccccc1)NCC#CCOc1ccccc1F Fc1ccccc1[*:1] O=C(CCS(=O)(=O)c1ccccc1)NCC#CCO[*:1]
O=C(CCS(=O)(=O)c1ccccc1)NCC#CCOc1ccccc1F c1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])NCC#CCOc1ccccc1F
CCOc1c(CN2CCO[C@H](c3nccs3)C2)c(C)nn1CC(C)C CC(C)[*:1] CCOc1c(CN2CCO[C@@H](C2)c2nccs2)c(C)nn1C[*:1]
CCOc1c(CN2CCO[C@H](c3nccs3)C2)c(C)nn1CC(C)C CCO[*:1] Cc1nn(CC(C)C)c(c1CN1CCO[C@@H](C1)c1nccs1)[*:1]
CCOc1c(CN2CCO[C@H](c3nccs3)C2)c(C)nn1CC(C)C c1csc(n1)[*:1] CCOc1c(CN2CCO[C@H](C2)[*:1])c(C)nn1CC(C)C
CCOc1c(CN2CCO[C@H](c3nccs3)C2)c(C)nn1CC(C)C CC(C)C[*:1] CCOc1c(CN2CCO[C@@H](C2)c2nccs2)c(C)nn1[*:1]
COC(=O)c1ccc([C@H](OC(=O)[C@H]2CCO[C@H]2C)C(F)(F)F)cc1 COC(=O)[*:1] C[C@@H]1OCC[C@@H]1C(=O)O[C@@H](c1ccc(cc1)[*:1])C(F)(F)F
COC(=O)c1ccc([C@H](OC(=O)[C@H]2CCO[C@H]2C)C(F)(F)F)cc1 FC(F)(F)[*:1] COC(=O)c1ccc(cc1)[C@H](OC(=O)[C@H]1CCO[C@H]1C)[*:1]
CCOC(=O)[C@H](c1cc(C)cc(F)c1)C(C)C CC(C)[*:1] CCOC(=O)[C@H](c1cc(C)cc(F)c1)[*:1]
CCOC(=O)[C@H](c1cc(C)cc(F)c1)C(C)C CCOC(=O)[*:1] Cc1cc(F)cc(c1)[C@H](C(C)C)[*:1]
O=C(NNC(=O)c1cc(Cl)c[nH]1)c1cccc(Br)c1 Clc1c[nH]c(c1)[*:1] O=C(NNC(=O)[*:1])c1cccc(Br)c1
CCC[C@H]1C[C@](O)(c2cc(OC)cc(OC)c2)CCO1 CCC[*:1] COc1cc(cc(c1)[C@]1(O)CCO[C@H](C1)[*:1])OC
Cc1cc(C)cc(N2C[C@H](C(=O)NCc3nnc(N)s3)CC2=O)c1 Cc1cc(C)cc(c1)[*:1] Nc1nnc(CNC(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
Cc1cc(C)cc(N2C[C@H](C(=O)NCc3nnc(N)s3)CC2=O)c1 Nc1nnc(s1)[*:1] Cc1cc(C)cc(c1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
Cc1cc(C)cc(N2C[C@H](C(=O)NCc3nnc(N)s3)CC2=O)c1 Nc1nnc(C[*:1])s1 Cc1cc(C)cc(c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
COc1cc(CNC(=O)NCCn2c(=O)oc3ccccc32)ccn1 COc1cc(ccn1)[*:1] O=C(NCCn1c(=O)oc2ccccc21)NC[*:1]
O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CCC[C@H]1c1nccs1 c1ccc(cc1)[*:1] O=C(c1ccc2nc(cn2c1)[*:1])N1CCC[C@H]1c1nccs1
O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CCC[C@H]1c1nccs1 c1csc(n1)[*:1] O=C(c1ccc2nc(cn2c1)-c1ccccc1)N1CCC[C@@H]1[*:1]
COc1ccccc1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O c1ccc(cc1)C[*:1] COc1ccccc1NC(=O)Cn1ncc2c3ccccc3n(c2c1=O)[*:1]
COc1ccccc1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O COc1ccccc1[*:1] O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)N[*:1]
COc1ccccc1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O c1ccc(cc1)[*:1] COc1ccccc1NC(=O)Cn1ncc2c3ccccc3n(C[*:1])c2c1=O
COc1ccccc1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O COc1ccccc1NC(=O)[*:1] O=c1c2c(cnn1C[*:1])c1ccccc1n2Cc1ccccc1
CCn1cc(NC(=O)C2CCN(Cc3cnc(C4CCCC4)s3)CC2)cn1 CCn1cc(cn1)[*:1] O=C(N[*:1])C1CCN(CC1)Cc1cnc(s1)C1CCCC1
CCn1cc(NC(=O)C2CCN(Cc3cnc(C4CCCC4)s3)CC2)cn1 C1CCC(C1)[*:1] CCn1cc(cn1)NC(=O)C1CCN(CC1)Cc1cnc(s1)[*:1]
Cc1cccc(CS(=O)(=O)N[C@@H](C)CN2CCOCC2)c1 C1CN(CCO1)C[*:1] Cc1cccc(c1)CS(=O)(=O)N[C@@H](C)[*:1]
Cc1cccc(CS(=O)(=O)N[C@@H](C)CN2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)CS(=O)(=O)N[C@@H](C)C[*:1]
Cc1cccc(CS(=O)(=O)N[C@@H](C)CN2CCOCC2)c1 Cc1cccc(c1)[*:1] C[C@@H](CN1CCOCC1)NS(=O)(=O)C[*:1]
CSCCCNC(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C CSCCC[*:1] Cc1ccccc1[C@@H]1CN(C(=O)N[*:1])[C@@H](C)CO1
CSCCCNC(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C CSC[*:1] Cc1ccccc1[C@@H]1CN(C(=O)NCC[*:1])[C@@H](C)CO1
CSCCCNC(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C CSCC[*:1] Cc1ccccc1[C@@H]1CN(C(=O)NC[*:1])[C@@H](C)CO1
CSCCCNC(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C Cc1ccccc1[*:1] CSCCCNC(=O)N1C[C@@H](OC[C@@H]1C)[*:1]
Cc1ccc2[nH]c(=O)c3cc(C(=O)N(C)c4cccc(Cl)c4)sc3c2c1 Clc1cccc(c1)[*:1] Cc1ccc2[nH]c(=O)c3cc(sc3c2c1)C(=O)N(C)[*:1]
CC(C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 CC(C)(C)[*:1] CC(C)C[C@@H]1CCN(C1)C(=O)C(=O)Nc1ccnn1[*:1]
CC(C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 CC(C)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N1CC[C@H](C1)C[*:1]
CC(C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 CC(C)C[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N1CC[C@H](C1)[*:1]
CCC(C)(C)[NH2+]CCN(C)Cc1cccc(C)n1 CCC(C)(C)[*:1] Cc1cccc(CN(C)CC[NH2+][*:1])n1
O=C(CSc1nnnn1C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 C1CC1n1nnnc1[*:1] O=C(CS[*:1])Nc1cc(ccc1-n1cncn1)C(F)(F)F
O=C(CSc1nnnn1C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 c1ncn(n1)[*:1] O=C(CSc1nnnn1C1CC1)Nc1cc(ccc1[*:1])C(F)(F)F
O=C(CSc1nnnn1C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 FC(F)(F)[*:1] O=C(CSc1nnnn1C1CC1)Nc1cc(ccc1-n1cncn1)[*:1]
O=C(CSc1nnnn1C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 C1CC1n1nnnc1S[*:1] O=C(C[*:1])Nc1cc(ccc1-n1cncn1)C(F)(F)F
O=C(CSc1nnnn1C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 C1CC1[*:1] O=C(CSc1nnnn1[*:1])Nc1cc(ccc1-n1cncn1)C(F)(F)F
CC(=O)Nc1cccc(NC(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)c1 c1ccc(cc1)C[*:1] CC(=O)Nc1cccc(c1)NC(=O)Cn1cc(O[*:1])c(=O)cc1C
CC(=O)Nc1cccc(NC(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)c1 CC(=O)N[*:1] Cc1cc(=O)c(cn1CC(=O)Nc1cccc(c1)[*:1])OCc1ccccc1
CC(=O)Nc1cccc(NC(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)c1 CC(=O)Nc1cccc(c1)[*:1] Cc1cc(=O)c(cn1CC(=O)N[*:1])OCc1ccccc1
CC(=O)Nc1cccc(NC(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)Cn1cc(OC[*:1])c(=O)cc1C
CC(=O)Nc1cccc(NC(=O)Cn2cc(OCc3ccccc3)c(=O)cc2C)c1 c1ccc(cc1)CO[*:1] CC(=O)Nc1cccc(c1)NC(=O)Cn1cc(c(=O)cc1C)[*:1]
O=S(=O)(c1ccccc1)n1c(Cl)cc2cc(Br)cnc21 c1ccc(cc1)[*:1] O=S(=O)(n1c(Cl)cc2cc(Br)cnc21)[*:1]
Cc1ccc(=O)n(CC(=O)NCCCc2c(C)noc2C)n1 Cc1noc(C)c1[*:1] Cc1ccc(=O)n(CC(=O)NCCC[*:1])n1
CN1C(=O)[C@@](CC(=O)NC2CC2)(Cc2ccccc2)c2ccccc21 O=C(NC1CC1)[*:1] CN1C(=O)[C@](Cc2ccccc2)(C[*:1])c2ccccc21
CN1C(=O)[C@@](CC(=O)NC2CC2)(Cc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CN1C(=O)[C@@](CC(=O)NC2CC2)(C[*:1])c2ccccc21
CN1C(=O)[C@@](CC(=O)NC2CC2)(Cc2ccccc2)c2ccccc21 c1ccc(cc1)C[*:1] CN1C(=O)[C@@](CC(=O)NC2CC2)(c2ccccc21)[*:1]
CN1C(=O)[C@@](CC(=O)NC2CC2)(Cc2ccccc2)c2ccccc21 O=C(C[*:1])NC1CC1 CN1C(=O)[C@@](Cc2ccccc2)(c2ccccc21)[*:1]
CN1C(=O)[C@@](CC(=O)NC2CC2)(Cc2ccccc2)c2ccccc21 C1CC1[*:1] CN1C(=O)[C@@](CC(=O)N[*:1])(Cc2ccccc2)c2ccccc21
O=C(c1cc(Br)c[nH]1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 Brc1c[nH]c(c1)[*:1] O=C(N1CCN(CC1)Cc1csc(n1)-c1ccc(F)cc1)[*:1]
O=C(c1cc(Br)c[nH]1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cc(Br)c[nH]1)N1CCN(CC1)Cc1csc(n1)[*:1]
CC(C)Oc1c(F)cc(N)cc1F CC(C)[*:1] Nc1cc(F)c(O[*:1])c(F)c1
CC(C)Oc1c(F)cc(N)cc1F CC(C)O[*:1] Nc1cc(F)c(c(F)c1)[*:1]
COC(=O)c1cccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)OCc1cn2ccccc2n1)c1cccc(c1)[*:1]
COC(=O)c1cccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c1 c1ccn2cc(C[*:1])nc2c1 COC(=O)c1cccc(c1)C(=O)Nc1cccc(c1)O[*:1]
COC(=O)c1cccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c1 c1ccn2cc(nc2c1)[*:1] COC(=O)c1cccc(c1)C(=O)Nc1cccc(c1)OC[*:1]
COC(=O)c1cccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c1 COC(=O)c1cccc(c1)[*:1] O=C(Nc1cccc(c1)OCc1cn2ccccc2n1)[*:1]
N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)C(=O)N[C@H]1CCCc2c1cnn2C[*:1]
N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 c1ccc(cc1)C[*:1] N#Cc1cccc(c1)NC(=O)C(=O)N[C@H]1CCCc2c1cnn2[*:1]
N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 N#Cc1cccc(c1)[*:1] O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)C(=O)N[*:1]
CCc1sc(C(=O)Nc2ccc3oc(COC)nc3c2)cc1C COC[*:1] CCc1sc(cc1C)C(=O)Nc1ccc2oc(nc2c1)[*:1]
Cc1nc(C)c(S(=O)(=O)N2C[C@H]3CCc4nnc(-c5ccncc5)n4[C@H]3C2)s1 Cc1nc(C)c(s1)[*:1] O=S(=O)(N1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1)[*:1]
Cc1nc(C)c(S(=O)(=O)N2C[C@H]3CCc4nnc(-c5ccncc5)n4[C@H]3C2)s1 c1cc(ccn1)[*:1] Cc1nc(C)c(s1)S(=O)(=O)N1C[C@H]2CCc3nnc(n3[C@H]2C1)[*:1]
Cc1ccc(-n2cnnn2)cc1NC(=O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(cc1NC(=O)c1cnn(c1)[*:1])-n1cnnn1
Cc1ccc(-n2cnnn2)cc1NC(=O)c1cnn(Cc2ccccc2)c1 c1nnnn1[*:1] Cc1ccc(cc1NC(=O)c1cnn(c1)Cc1ccccc1)[*:1]
Cc1ccc(-n2cnnn2)cc1NC(=O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)c1cnn(c1)C[*:1])-n1cnnn1
CS[C@H]1CCC[C@H]1NC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O NC(=O)[*:1] CS[C@H]1CCC[C@H]1NC(=O)NC[C@@H](Cc1ccc(F)cc1)[*:1]
CS[C@H]1CCC[C@H]1NC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O Fc1ccc(cc1)C[*:1] CS[C@H]1CCC[C@H]1NC(=O)NC[C@@H](C(N)=O)[*:1]
CS[C@H]1CCC[C@H]1NC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O Fc1ccc(cc1)[*:1] CS[C@H]1CCC[C@H]1NC(=O)NC[C@@H](C[*:1])C(N)=O
FC(F)(F)c1cccc([C@@H]([NH2+][C@H]2CCc3ccccc32)c2cccnc2)c1 c1cncc(c1)[*:1] FC(F)(F)c1cccc(c1)[C@@H]([NH2+][C@H]1CCc2ccccc21)[*:1]
FC(F)(F)c1cccc([C@@H]([NH2+][C@H]2CCc3ccccc32)c2cccnc2)c1 FC(F)(F)[*:1] c1cncc(c1)[C@H]([NH2+][C@H]1CCc2ccccc21)c1cccc(c1)[*:1]
Cc1cc(C)c(N2C(=O)N=C(O)[C@H](/C=[NH+]/[C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)C2=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)/[NH+]=C/[C@@H]1C(=O)N(C(=O)N=C1O)[*:1]
Cc1c(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cnn1C Cc1c(cnn1C)[*:1] C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C[*:1]
C[C@]1(C(=O)N2CCC(c3n[nH]cc3Cc3ccccc3)CC2)CCC[NH2+]C1 c1ccc(cc1)C[*:1] C[C@@]1(CCC[NH2+]C1)C(=O)N1CCC(CC1)c1n[nH]cc1[*:1]
C[C@]1(C(=O)N2CCC(c3n[nH]cc3Cc3ccccc3)CC2)CCC[NH2+]C1 c1ccc(cc1)[*:1] C[C@@]1(CCC[NH2+]C1)C(=O)N1CCC(CC1)c1n[nH]cc1C[*:1]
COS(=O)(=O)[C@@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C COS(=O)(=O)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)C1 c1ccn2cc(nc2c1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)OC[*:1]
CN(CCC#N)C(=O)c1cnn(Cc2ccccc2)c1 N#CC[*:1] CN(C[*:1])C(=O)c1cnn(c1)Cc1ccccc1
CN(CCC#N)C(=O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] CN(CCC#N)C(=O)c1cnn(c1)C[*:1]
CN(CCC#N)C(=O)c1cnn(Cc2ccccc2)c1 N#CCC[*:1] CN(C(=O)c1cnn(c1)Cc1ccccc1)[*:1]
CCC[NH2+]C/C(C)=C/c1ccc(OC)c(Cl)c1 CCC[*:1] COc1ccc(/C=C(\C)C[NH2+][*:1])cc1Cl
CC(C)CN1CC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1=O CC(C)C[*:1] C[C@@H](CC(=O)N1CCC2(CC1)CC(=O)N(C2)[*:1])n1cc[nH+]c1
CC(C)CN1CC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1=O CC(C)[*:1] C[C@@H](CC(=O)N1CCC2(CC1)CC(=O)N(C2)C[*:1])n1cc[nH+]c1
Cc1ccc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)c(C)c1 CS(=O)(=O)[*:1] Cc1ccc(C(=O)Nc2nnc(o2)-c2cccc(c2)[*:1])c(C)c1
Cc1ccc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CS(=O)(=O)c1cccc(c1)-c1nnc(NC(=O)[*:1])o1
CN(C(=O)c1cncc(-c2ccccc2)c1)c1cccc2ncccc12 c1ccc(cc1)[*:1] CN(C(=O)c1cncc(c1)[*:1])c1cccc2ncccc12
CN(C)c1[nH+]cc(CNC(=O)N2CCc3ccccc3[C@H]2CO)n1C CN(C)[*:1] Cn1c(c[nH+]c1[*:1])CNC(=O)N1CCc2ccccc2[C@H]1CO
COC(=O)c1ccccc1N(C)C(=O)CN1CCOC(C)(C)C1 COC(=O)[*:1] CN(C(=O)CN1CCOC(C)(C)C1)c1ccccc1[*:1]
O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)c[nH]2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)CSc1nc(c[nH]1)[*:1]
O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)c[nH]2)cc1 O=[N+]([O-])[*:1] c1ccc(cc1)-c1c[nH]c(n1)SCc1ccc(cc1)[*:1]
O=C(NCCCOCC1CC1)N1C[C@H]2CC=CC[C@@H]2C1 C1CC1CO[*:1] O=C(NCCC[*:1])N1C[C@H]2CC=CC[C@@H]2C1
O=C(NCCCOCC1CC1)N1C[C@H]2CC=CC[C@@H]2C1 C1CC1C[*:1] O=C(NCCCO[*:1])N1C[C@H]2CC=CC[C@@H]2C1
O=C(NCCCOCC1CC1)N1C[C@H]2CC=CC[C@@H]2C1 C1CC1COC[*:1] O=C(NCC[*:1])N1C[C@H]2CC=CC[C@@H]2C1
O=C(NCCCOCC1CC1)N1C[C@H]2CC=CC[C@@H]2C1 C1CC1[*:1] O=C(NCCCOC[*:1])N1C[C@H]2CC=CC[C@@H]2C1
CC(C)(O)/C=C/c1cccc2c1NCC2 CC(C)(O)[*:1] C(=C[*:1])c1cccc2CCNc12
Cc1cc(C)c2c(n1)nn1c(C(=O)[O-])cc(-c3ccc(Cl)cc3)nc21 O=C([O-])[*:1] Cc1cc(C)c2c(n1)nn1c(cc(nc21)-c1ccc(Cl)cc1)[*:1]
Cc1cc(C)c2c(n1)nn1c(C(=O)[O-])cc(-c3ccc(Cl)cc3)nc21 Clc1ccc(cc1)[*:1] Cc1cc(C)c2c(n1)nn1c(cc(nc21)[*:1])C(=O)[O-]
Cc1ccc(OCc2cccc(C(=O)N3CCOC(C)(C)C3)c2)cn1 Cc1ccc(cn1)[*:1] CC1(C)CN(CCO1)C(=O)c1cccc(c1)CO[*:1]
Cc1ccc(OCc2cccc(C(=O)N3CCOC(C)(C)C3)c2)cn1 Cc1ccc(cn1)O[*:1] CC1(C)CN(CCO1)C(=O)c1cccc(c1)C[*:1]
COC(=O)c1cccc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1 FC(F)O[*:1] COC(=O)c1cccc(n1)N1CCO[C@H](C1)c1cccc(c1)[*:1]
COC(=O)c1cccc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1 FC(F)[*:1] COC(=O)c1cccc(n1)N1CCO[C@H](C1)c1cccc(c1)O[*:1]
COC(=O)c1cccc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1 COC(=O)[*:1] FC(F)Oc1cccc(c1)[C@H]1CN(CCO1)c1cccc(n1)[*:1]
CC(C)C1=NO[C@@H](C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1 Cn1ncc(cc1=O)[*:1] CC(C)C1C[C@@H](ON=1)C(=O)N1CCN(CC1)[*:1]
CC(C)C1=NO[C@@H](C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1 CC(C)[*:1] Cn1ncc(cc1=O)N1CCN(CC1)C(=O)[C@H]1CC(=NO1)[*:1]
CCCN(CCC)c1nc2ccccc2n(CC(=O)N2CCc3ccccc3C2)c1=O CCC[*:1] CCCN(c1nc2ccccc2n(CC(=O)N2CCc3ccccc3C2)c1=O)[*:1]
CCCN(CCC)c1nc2ccccc2n(CC(=O)N2CCc3ccccc3C2)c1=O CCCN(CCC)[*:1] O=C(Cn1c(=O)c(nc2ccccc21)[*:1])N1CCc2ccccc2C1
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCc1ccon1 c1cc(C[*:1])no1 O=C(/C=C/c1cc(ccc1Cl)C(F)(F)F)N[*:1]
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCc1ccon1 FC(F)(F)[*:1] O=C(/C=C/c1cc(ccc1Cl)[*:1])NCc1ccon1
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCc1ccon1 c1cc(no1)[*:1] O=C(/C=C/c1cc(ccc1Cl)C(F)(F)F)NC[*:1]
O=C(CCC1CCCC1)N(CC1=C[C@@H]2N=CC=C2C=C1)C1CC1 C1CCC(C1)C[*:1] O=C(C[*:1])N(CC1C=CC2=CC=N[C@H]2C=1)C1CC1
O=C(CCC1CCCC1)N(CC1=C[C@@H]2N=CC=C2C=C1)C1CC1 C1CCC(C1)CC[*:1] O=C(N(CC1C=CC2=CC=N[C@H]2C=1)C1CC1)[*:1]
O=C(CCC1CCCC1)N(CC1=C[C@@H]2N=CC=C2C=C1)C1CC1 C1CCC(C1)[*:1] O=C(CC[*:1])N(CC1C=CC2=CC=N[C@H]2C=1)C1CC1
O=C(CCC1CCCC1)N(CC1=C[C@@H]2N=CC=C2C=C1)C1CC1 C1CC1[*:1] O=C(CCC1CCCC1)N(CC1C=CC2=CC=N[C@H]2C=1)[*:1]
CS[C@@H]1CC[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 O=[N+]([O-])[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)c1ccn(n1)-c1cccc(c1)[*:1]
Cc1cccc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CN1C(=O)N[C@@](C[*:1])(C1=O)c1ccccc1
Cc1cccc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1 Cc1cccc(c1)C[*:1] O=C1N[C@@](Cc2ccccc2)(C(=O)N1[*:1])c1ccccc1
Cc1cccc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CN1C(=O)N[C@](Cc2ccccc2)(C1=O)[*:1]
Cc1cccc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1 Cc1cccc(c1)[*:1] O=C1N[C@@](Cc2ccccc2)(C(=O)N1C[*:1])c1ccccc1
Cc1cccc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)CN1C(=O)N[C@@](C1=O)(c1ccccc1)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C)cc1 Fc1ccccc1[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)c1cnn(c1C)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C)cc1 CCN(CC)C(=O)[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc2c(c1)[C@H]([NH3+])[C@H](SC1CCCC1)C2 C1CCC(C1)S[*:1] COc1ccc2C[C@@H]([C@@H]([NH3+])c2c1)[*:1]
COc1ccc2c(c1)[C@H]([NH3+])[C@H](SC1CCCC1)C2 C1CCC(C1)[*:1] COc1ccc2C[C@@H](S[*:1])[C@@H]([NH3+])c2c1
Clc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1Cl c1cc(ccn1)[*:1] Clc1ccc(cc1Cl)C1CSc2nnc(n2N=1)[*:1]
COC(=O)c1ccccc1NC(=O)c1cn(C)c2c(F)cccc2c1=O COC(=O)[*:1] Cn1cc(C(=O)Nc2ccccc2[*:1])c(=O)c2cccc(F)c21
Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccccc1-c1ccccc1 NC(=O)[*:1] Cc1sc(cc1NS(=O)(=O)c1ccccc1-c1ccccc1)[*:1]
Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(cc1NS(=O)(=O)c1ccccc1[*:1])C(N)=O
Cc1cc(N2CCC(c3ccc(O)cc3)CC2)n2ncnc2n1 Oc1ccc(cc1)[*:1] Cc1cc(N2CCC(CC2)[*:1])n2ncnc2n1
Cc1ccsc1CC[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O C1CCC(CC1)C[*:1] Cc1ccsc1CC[NH2+]C[C@@]1(O)CCCN(C1=O)[*:1]
Cc1ccsc1CC[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O Cc1ccsc1[*:1] O=C1N(CCC[C@]1(O)C[NH2+]CC[*:1])CC1CCCCC1
Cc1ccsc1CC[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O Cc1ccsc1CC[*:1] O=C1N(CCC[C@]1(O)C[NH2+][*:1])CC1CCCCC1
Cc1ccsc1CC[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O C1CCC(CC1)[*:1] Cc1ccsc1CC[NH2+]C[C@@]1(O)CCCN(C[*:1])C1=O
Cc1ccsc1CC[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O Cc1ccsc1C[*:1] O=C1N(CCC[C@]1(O)C[NH2+]C[*:1])CC1CCCCC1
O=C(Cc1ccc(CO)cc1)N1CC[C@@]2(CCCN(CCO)C2=O)C1 OCc1ccc(cc1)[*:1] O=C(C[*:1])N1CC[C@@]2(CCCN(CCO)C2=O)C1
O=C(Cc1ccc(CO)cc1)N1CC[C@@]2(CCCN(CCO)C2=O)C1 OCC[*:1] O=C(Cc1ccc(cc1)CO)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
C[C@@H](O)CCN(C)C(=O)Nc1nnc(C(F)(F)F)s1 C[C@@H](O)C[*:1] CN(C[*:1])C(=O)Nc1nnc(s1)C(F)(F)F
C[C@@H](O)CCN(C)C(=O)Nc1nnc(C(F)(F)F)s1 C[C@@H](O)[*:1] CN(CC[*:1])C(=O)Nc1nnc(s1)C(F)(F)F
C[C@@H](O)CCN(C)C(=O)Nc1nnc(C(F)(F)F)s1 C[C@@H](O)CC[*:1] CN(C(=O)Nc1nnc(s1)C(F)(F)F)[*:1]
C[C@@H](O)CCN(C)C(=O)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] C[C@@H](O)CCN(C)C(=O)Nc1nnc(s1)[*:1]
COc1cccc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)c1 C[S@](=O)[*:1] COc1cccc(c1)[C@H](C)[NH2+]CC[C@@H](C)[*:1]
O=C(C[NH+]1CCCSCC1)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(C[NH+]1CCCSCC1)Nc1cccc(c1)[*:1]
CC1=C(C(=O)N(C)C)[C@H](c2cc(C)c(C)cc2OC(F)F)NC(=S)N1 FC(F)O[*:1] CC1NC(=S)N[C@H](C=1C(=O)N(C)C)c1cc(C)c(C)cc1[*:1]
CC1=C(C(=O)N(C)C)[C@H](c2cc(C)c(C)cc2OC(F)F)NC(=S)N1 FC(F)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N(C)C)c1cc(C)c(C)cc1O[*:1]
CC1=C(C(=O)N(C)C)[C@H](c2cc(C)c(C)cc2OC(F)F)NC(=S)N1 CN(C)C(=O)[*:1] CC1NC(=S)N[C@H](C=1[*:1])c1cc(C)c(C)cc1OC(F)F
CCOc1ccc(CNC(=O)Nc2cn(C)nc2CC)cc1OC CCc1nn(C)cc1[*:1] CCOc1ccc(cc1OC)CNC(=O)N[*:1]
CCOc1ccc(CNC(=O)Nc2cn(C)nc2CC)cc1OC CCO[*:1] CCc1nn(C)cc1NC(=O)NCc1ccc(c(c1)OC)[*:1]
[NH3+]C[C@@H]1CC[C@H](c2nc(CCC(F)(F)F)no2)O1 FC(F)(F)[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)c1nc(CC[*:1])no1
[NH3+]C[C@@H]1CC[C@H](c2nc(CCC(F)(F)F)no2)O1 FC(F)(F)CC[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)c1nc(no1)[*:1]
[NH3+]C[C@@H]1CC[C@H](c2nc(CCC(F)(F)F)no2)O1 FC(F)(F)C[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)c1nc(C[*:1])no1
C/C=C(\C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 CC=C(C)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2CCCc21
C/C=C(\C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 CCOC(=O)[*:1] C/C=C(\C)C(=O)Nc1sc2CCCc2c1[*:1]
Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc2Sc3ccccc3C(=O)Nc2c1
O=C1NC(=O)c2ccccc2/C1=C/Nc1ccc(C(=O)N2CCCCCC2)cc1 O=C(N1CCCCCC1)[*:1] O=C1NC(=O)c2ccccc2/C1=C/Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CNc1cccc(c1)C(=O)NC1CCCCC1)N[*:1]
Cc1ccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)NC(=O)CNc1cccc(c1)C(=O)N[*:1]
Cc1ccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)cc1 O=C(NC1CCCCC1)[*:1] Cc1ccc(cc1)NC(=O)CNc1cccc(c1)[*:1]
O=C(NC[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(F)c1)Nc1ccccc1 Fc1cccc(c1)C[*:1] O=C(NC[C@@H]1CCCCN1S(=O)(=O)[*:1])Nc1ccccc1
O=C(NC[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(F)c1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(F)c1)N[*:1]
O=C(NC[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(F)c1)Nc1ccccc1 Fc1cccc(c1)[*:1] O=C(NC[C@@H]1CCCCN1S(=O)(=O)C[*:1])Nc1ccccc1
Nc1ccc2nc(SCC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 O=[N+]([O-])[*:1] Nc1ccc2nc(SCC(=O)c3cccc(c3)[*:1])sc2c1
COc1ccc(-c2nc(CC(=O)NCCc3ccccc3F)cs2)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)-c1nc(cs1)CC(=O)NC[*:1]
COc1ccc(-c2nc(CC(=O)NCCc3ccccc3F)cs2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])NCCc1ccccc1F
COc1ccc(-c2nc(CC(=O)NCCc3ccccc3F)cs2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-c1nc(cs1)CC(=O)NCC[*:1]
Cc1ccc(N2C(=O)C[C@H](N3CCN(c4nc5ccccc5s4)CC3)C2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1C[C@@H](C(=O)N1[*:1])N1CCN(CC1)c1nc2ccccc2s1
Cc1ccc(N2C(=O)C[C@H](N3CCN(c4nc5ccccc5s4)CC3)C2=O)c(C)c1 c1ccc2sc(nc2c1)[*:1] Cc1ccc(c(C)c1)N1C(=O)C[C@@H](C1=O)N1CCN(CC1)[*:1]
CC(=O)OC1CC[NH+](Cc2cnc3ccsc3c2)CC1 CC(=O)O[*:1] c1cc2ncc(cc2s1)C[NH+]1CCC(CC1)[*:1]
CCCS(=O)(=O)N1CC(=O)N(c2ccc(CC)cc2)[C@@](C)(C(=O)NC2CCCCC2)C1 CCc1ccc(cc1)[*:1] CCCS(=O)(=O)N1CC(=O)N([C@](C)(C1)C(=O)NC1CCCCC1)[*:1]
CCCS(=O)(=O)N1CC(=O)N(c2ccc(CC)cc2)[C@@](C)(C(=O)NC2CCCCC2)C1 C1CCC(CC1)[*:1] CCCS(=O)(=O)N1CC(=O)N(c2ccc(cc2)CC)[C@](C)(C1)C(=O)N[*:1]
CCCS(=O)(=O)N1CC(=O)N(c2ccc(CC)cc2)[C@@](C)(C(=O)NC2CCCCC2)C1 CCC[*:1] CCc1ccc(cc1)N1C(=O)CN(C[C@]1(C)C(=O)NC1CCCCC1)S(=O)(=O)[*:1]
CCCS(=O)(=O)N1CC(=O)N(c2ccc(CC)cc2)[C@@](C)(C(=O)NC2CCCCC2)C1 O=C(NC1CCCCC1)[*:1] CCCS(=O)(=O)N1CC(=O)N(c2ccc(cc2)CC)[C@@](C)(C1)[*:1]
O=C(Cc1ccncc1)NNC(=O)c1occc1Br Brc1ccoc1[*:1] O=C(Cc1ccncc1)NNC(=O)[*:1]
O=C(Cc1ccncc1)NNC(=O)c1occc1Br c1cc(ccn1)[*:1] O=C(C[*:1])NNC(=O)c1occc1Br
CCOc1cccc(NC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 CCOc1cccc(c1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
CCOc1cccc(NC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 CCO[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
COC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(c1c[nH]c2ccccc12)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@@](NC(=O)c1ccc(cc1)OC)(c1c[nH]c2ccccc12)[*:1]
COC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(c1c[nH]c2ccccc12)C(F)(F)F COc1ccc(cc1)[*:1] COC(=O)[C@@](NC(=O)[*:1])(c1c[nH]c2ccccc12)C(F)(F)F
COC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(c1c[nH]c2ccccc12)C(F)(F)F c1ccc2c(c[nH]c2c1)[*:1] COC(=O)[C@@](NC(=O)c1ccc(cc1)OC)(C(F)(F)F)[*:1]
COC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(c1c[nH]c2ccccc12)C(F)(F)F COC(=O)[*:1] COc1ccc(cc1)C(=O)N[C@@](c1c[nH]c2ccccc12)(C(F)(F)F)[*:1]
Cc1c(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)oc2ccc(Br)cc12 N#CC1(CCCCC1)[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)OCC(=O)N(C)[*:1]
CCC(CC)(CO)CNC(=O)c1ccc2c(c1)COCO2 CCC(CC)(CO)[*:1] O=C(NC[*:1])c1ccc2OCOCc2c1
CC/[NH+]=C(/NCC1(c2ccc(F)cc2)CCOCC1)NC(C)C CC(C)[*:1] CC/[NH+]=C(/NCC1(CCOCC1)c1ccc(F)cc1)N[*:1]
CC/[NH+]=C(/NCC1(c2ccc(F)cc2)CCOCC1)NC(C)C Fc1ccc(cc1)[*:1] CC/[NH+]=C(/NCC1(CCOCC1)[*:1])NC(C)C
O=C(NCc1cccc(C(=O)N2CCCC2)c1)[C@H]1C[C@@H]1c1ccco1 O=C(N1CCCC1)[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1C[C@@H]1c1ccco1
O=C(NCc1cccc(C(=O)N2CCCC2)c1)[C@H]1C[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(NCc1cccc(c1)C(=O)N1CCCC1)[C@H]1C[C@H]1[*:1]
CSCCCn1cnc2cc(-c3ccccc3)sc2c1=O CSC[*:1] O=c1c2sc(cc2ncn1CC[*:1])-c1ccccc1
CSCCCn1cnc2cc(-c3ccccc3)sc2c1=O CSCCC[*:1] O=c1c2sc(cc2ncn1[*:1])-c1ccccc1
CSCCCn1cnc2cc(-c3ccccc3)sc2c1=O CSCC[*:1] O=c1c2sc(cc2ncn1C[*:1])-c1ccccc1
CSCCCn1cnc2cc(-c3ccccc3)sc2c1=O c1ccc(cc1)[*:1] CSCCCn1cnc2cc(sc2c1=O)[*:1]
CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 CCO[*:1] O=C(Nc1ccc(Br)cc1F)c1ccc(cc1)[*:1]
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(N)=O)C1=O NC(=O)NC(=O)[*:1] CC[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(N)=O)C1=O NC(=O)NC(=O)C[*:1] CC[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(F)cc1
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(N)=O)C1=O Fc1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CC(=O)NC(N)=O)C1=O)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1nccnc1-c1nc2ccccc2s1 Cn1cc(cn1)C[*:1] CN(C(=O)c1nccnc1-c1nc2ccccc2s1)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1nccnc1-c1nc2ccccc2s1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)c1nccnc1-c1nc2ccccc2s1
Cc1ccc(Cc2nnc(NC(=O)NCCc3ccccc3)o2)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(Cc2nnc(NC(=O)NC[*:1])o2)c(C)c1
Cc1ccc(Cc2nnc(NC(=O)NCCc3ccccc3)o2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NCCc1ccccc1)Nc1nnc(C[*:1])o1
Cc1ccc(Cc2nnc(NC(=O)NCCc3ccccc3)o2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(Cc2nnc(NC(=O)NCC[*:1])o2)c(C)c1
Cc1ccc(Cc2nnc(NC(=O)NCCc3ccccc3)o2)c(C)c1 c1ccc(cc1)CC[*:1] Cc1ccc(Cc2nnc(NC(=O)N[*:1])o2)c(C)c1
Cc1nc(N2CCCCC2)ncc1-c1cc(=O)n(-c2ccc(Br)cc2)[nH]1 C1CCN(CC1)[*:1] Cc1nc(ncc1-c1cc(=O)n([nH]1)-c1ccc(Br)cc1)[*:1]
Cc1nc(N2CCCCC2)ncc1-c1cc(=O)n(-c2ccc(Br)cc2)[nH]1 Brc1ccc(cc1)[*:1] Cc1nc(ncc1-c1cc(=O)n([nH]1)[*:1])N1CCCCC1
COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(Cl)ccc3OC)c3ccccc3C(=O)N2C)cc1 COc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1[*:1]
COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(Cl)ccc3OC)c3ccccc3C(=O)N2C)cc1 COc1ccc(Cl)cc1[*:1] COc1ccc(cc1)[C@@H]1[C@@H](C(=O)N[*:1])c2ccccc2C(=O)N1C
CC(C)(C)OC(=O)c1ccc(Br)nc1 CC(C)(C)[*:1] O=C(O[*:1])c1ccc(Br)nc1
Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)n1 Cc1noc(n1)[*:1] Cc1cc(cc(n1)[C@@H]1CCN(C1)C(=O)CC[*:1])-c1ccc(N)nc1
Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)n1 Cc1noc(CC[*:1])n1 Cc1cc(cc(n1)[C@@H]1CCN(C1)C(=O)[*:1])-c1ccc(N)nc1
Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)n1 Nc1ccc(cn1)[*:1] Cc1cc(cc(n1)[C@@H]1CCN(C1)C(=O)CCc1nc(C)no1)[*:1]
Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)n1 Cc1noc(C[*:1])n1 Cc1cc(cc(n1)[C@@H]1CCN(C1)C(=O)C[*:1])-c1ccc(N)nc1
O=C([O-])c1ccc(S(=O)(=O)Cc2ncccn2)c(F)c1 c1cnc(nc1)[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)C[*:1]
O=C([O-])c1ccc(S(=O)(=O)Cc2ncccn2)c(F)c1 O=C([O-])[*:1] O=S(=O)(Cc1ncccn1)c1ccc(cc1F)[*:1]
CCn1nc(C(=O)[O-])c2c1CC[C@H](NCc1nn(CC)c3ccccc13)C2 O=C([O-])[*:1] CCn1nc(c2C[C@H](CCc21)NCc1nn(CC)c2ccccc12)[*:1]
O=C(CCCNC(=O)c1ccccc1)NC[C@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)[*:1] O=C(CCCNC(=O)[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
CN1C(=O)C[C@H](NC(=O)CCCc2ccccn2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)CCCc2ccccn2)[C@H]1[*:1]
CN1C(=O)C[C@H](NC(=O)CCCc2ccccn2)[C@@H]1c1ccc(Cl)cc1 c1ccc(nc1)[*:1] CN1C(=O)C[C@H](NC(=O)CCC[*:1])[C@@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NC(=O)CCCc2ccccn2)[C@@H]1c1ccc(Cl)cc1 c1ccc(C[*:1])nc1 CN1C(=O)C[C@H](NC(=O)CC[*:1])[C@@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NC(=O)CCCc2ccccn2)[C@@H]1c1ccc(Cl)cc1 c1ccc(CC[*:1])nc1 CN1C(=O)C[C@H](NC(=O)C[*:1])[C@@H]1c1ccc(Cl)cc1
COCCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1ccc(C)s1 Cc1ccc(s1)[*:1] COCCNS(=O)(=O)[C@H]1CON(C)[C@@H]1[*:1]
COCCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1ccc(C)s1 COCC[*:1] Cc1ccc(s1)[C@H]1[C@H](CON1C)S(=O)(=O)N[*:1]
COCCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1ccc(C)s1 COC[*:1] Cc1ccc(s1)[C@H]1[C@H](CON1C)S(=O)(=O)NC[*:1]
Cc1ccccc1Cn1cc(C(=O)N2CCCN(Cc3cccs3)CC2)nn1 Cc1ccccc1C[*:1] O=C(c1cn(nn1)[*:1])N1CCCN(CC1)Cc1cccs1
Cc1ccccc1Cn1cc(C(=O)N2CCCN(Cc3cccs3)CC2)nn1 c1csc(c1)C[*:1] Cc1ccccc1Cn1cc(nn1)C(=O)N1CCCN(CC1)[*:1]
Cc1ccccc1Cn1cc(C(=O)N2CCCN(Cc3cccs3)CC2)nn1 c1csc(c1)[*:1] Cc1ccccc1Cn1cc(nn1)C(=O)N1CCCN(CC1)C[*:1]
Cc1ccccc1Cn1cc(C(=O)N2CCCN(Cc3cccs3)CC2)nn1 Cc1ccccc1[*:1] O=C(c1cn(C[*:1])nn1)N1CCCN(CC1)Cc1cccs1
O=C(CCc1ccco1)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 Clc1ccc(cc1)[*:1] O=C(CCc1ccco1)NC1CC[NH+](CC1)CC1(CCC1)[*:1]
O=C(CCc1ccco1)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 c1coc(c1)C[*:1] O=C(C[*:1])NC1CC[NH+](CC1)CC1(CCC1)c1ccc(Cl)cc1
O=C(CCc1ccco1)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 c1coc(c1)CC[*:1] O=C(NC1CC[NH+](CC1)CC1(CCC1)c1ccc(Cl)cc1)[*:1]
O=C(CCc1ccco1)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 c1coc(c1)[*:1] O=C(CC[*:1])NC1CC[NH+](CC1)CC1(CCC1)c1ccc(Cl)cc1
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cncc(F)c1 O=C(N1CCCCC1)[*:1] C[C@@H](N[C@@H](Cc1ccccc1)[*:1])c1cncc(F)c1
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cncc(F)c1 c1ccc(cc1)[*:1] C[C@@H](N[C@@H](C[*:1])C(=O)N1CCCCC1)c1cncc(F)c1
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cncc(F)c1 c1ccc(cc1)C[*:1] C[C@@H](N[C@@H](C(=O)N1CCCCC1)[*:1])c1cncc(F)c1
C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cncc(F)c1 Fc1cncc(c1)[*:1] C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)[*:1]
CC[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)C1 c1cnc(nc1)[*:1] CC[C@@H]1CCN(C1)C(=O)NC[C@@H]1CCCN(C1)[*:1]
COc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc(-c3ccccc3)cc(=O)[nH]2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1cc(nn1-c1nc(cc(=O)[nH]1)-c1ccccc1)-c1ccco1)[*:1]
COc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc(-c3ccccc3)cc(=O)[nH]2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1cc(nn1-c1nc(cc(=O)[nH]1)-c1ccccc1)-c1ccco1
COc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc(-c3ccccc3)cc(=O)[nH]2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)CC(=O)Nc1cc(nn1-c1nc(cc(=O)[nH]1)-c1ccccc1)[*:1]
COc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc(-c3ccccc3)cc(=O)[nH]2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)Nc1cc(nn1-c1nc(cc(=O)[nH]1)[*:1])-c1ccco1
COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 COc1ccc(Cl)cc1[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(CC1)S(=O)(=O)C[*:1]
COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] O=C(NCc1cccc(c1)S(=O)(=O)N1CCCCC1)[C@@H]1C[C@H]1[*:1]
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCc1cccc(c1)S(=O)(=O)N1CCCCC1)[C@@H]1C[C@@H]1c1ccc(cc1)[*:1]
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(NCc1cccc(c1)[*:1])[C@@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F
Cn1cc[nH+]c1C[C@H](O)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cn1cc[nH+]c1C[C@H](O)C[*:1]
Cc1nc(COc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)cs1 Cc1nc(cs1)CO[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)[*:1]
Cc1nc(COc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)cs1 Cc1nc(cs1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)OC[*:1]
Cc1nc(COc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)cs1 Cc1nc(cs1)C[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)O[*:1]
Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 O=[N+]([O-])c1cccc(c1)[*:1] Cn1ccnc1[C@@H](NC(=O)CNC(=O)[*:1])c1ccc(Cl)cc1
Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 O=[N+]([O-])[*:1] Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccc(c1)[*:1])c1ccc(Cl)cc1
Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 Cn1ccnc1[*:1] O=C(CNC(=O)c1cccc(c1)[N+](=O)[O-])N[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1c(C(=O)N2CC[C@@H](Nc3ccccc3)C2)nnn1-c1cccc2ncccc12 c1cc(c2cccnc2c1)[*:1] Cc1c(nnn1[*:1])C(=O)N1CC[C@H](C1)Nc1ccccc1
Cc1c(C(=O)N2CC[C@@H](Nc3ccccc3)C2)nnn1-c1cccc2ncccc12 c1ccc(cc1)[*:1] Cc1c(nnn1-c1cccc2ncccc12)C(=O)N1CC[C@H](C1)N[*:1]
Cc1c(C(=O)N2CC[C@@H](Nc3ccccc3)C2)nnn1-c1cccc2ncccc12 c1ccc(cc1)N[*:1] Cc1c(nnn1-c1cccc2ncccc12)C(=O)N1CC[C@@H](C1)[*:1]
Cc1ccccc1CC(=O)Nc1nc2cc3c(cc2s1)OCCCO3 Cc1ccccc1[*:1] O=C(C[*:1])Nc1nc2cc3OCCCOc3cc2s1
Cc1ccccc1CC(=O)Nc1nc2cc3c(cc2s1)OCCCO3 Cc1ccccc1C[*:1] O=C(Nc1nc2cc3OCCCOc3cc2s1)[*:1]
C[NH+]1C(C)(C)N(O)C(c2ccccc2)(c2ccccc2)C1(C)C c1ccc(cc1)[*:1] C[NH+]1C(C)(C)N(O)C(c2ccccc2)(C1(C)C)[*:1]
CSc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cn1 CSc1ccc(cn1)[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)C(=O)N[*:1]
O=Cc1cccn1-c1cccc(C(=O)[O-])c1 O=C([O-])[*:1] O=Cc1cccn1-c1cccc(c1)[*:1]
C[C@@H](C(=O)N[C@@H](c1ccccc1)C(F)(F)F)c1ccsc1 C[C@@H](c1ccsc1)[*:1] O=C(N[C@@H](c1ccccc1)C(F)(F)F)[*:1]
C[C@@H](C(=O)N[C@@H](c1ccccc1)C(F)(F)F)c1ccsc1 FC(F)(F)[*:1] C[C@@H](C(=O)N[C@@H](c1ccccc1)[*:1])c1ccsc1
C[C@@H](C(=O)N[C@@H](c1ccccc1)C(F)(F)F)c1ccsc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@@H](C(F)(F)F)[*:1])c1ccsc1
C[C@@H](C(=O)N[C@@H](c1ccccc1)C(F)(F)F)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)N[C@@H](c1ccccc1)C(F)(F)F)[*:1]
CCCS(=O)(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 CCC[*:1] O=S(=O)(N[C@H]1CCC[C@H](C1)C(F)(F)F)[*:1]
CCCS(=O)(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] CCCS(=O)(=O)N[C@H]1CCC[C@@H](C1)[*:1]
C[C@H]1C[C@@H]1CN(C)C(=O)c1ccc(Br)nc1 C[C@H]1C[C@H]1[*:1] CN(C[*:1])C(=O)c1ccc(Br)nc1
C[C@H]1C[C@@H]1CN(C)C(=O)c1ccc(Br)nc1 C[C@H]1C[C@@H]1C[*:1] CN(C(=O)c1ccc(Br)nc1)[*:1]
Clc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)s1 Clc1ccc(s1)[*:1] C1C[C@]2(CO1)C[C@@H](CCO2)[NH2+]C[*:1]
COc1cc(NC(=S)NC(=O)c2ccco2)ccc1-c1cc2ccccc2oc1=O c1coc(c1)[*:1] COc1cc(ccc1-c1cc2ccccc2oc1=O)NC(=S)NC(=O)[*:1]
COc1ccccc1[C@@H](C)NC(=O)c1[nH]c(C)c(C(C)=O)c1C CC(=O)[*:1] COc1ccccc1[C@@H](C)NC(=O)c1[nH]c(C)c(c1C)[*:1]
Cn1ncnc1NC(=O)NCCNC(=O)c1ccccc1Cl Cn1ncnc1[*:1] O=C(NCCNC(=O)c1ccccc1Cl)N[*:1]
Cn1ncnc1NC(=O)NCCNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] Cn1ncnc1NC(=O)NCCNC(=O)[*:1]
Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CCCN3C(=O)c3cccs3)c2cc1C c1csc(c1)[*:1] Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CCCN3C(=O)[*:1])c2cc1C
CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccs1 c1csc(c1)[*:1] CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1[*:1]
Cc1ccc(-c2csc(C3=C(N)N(NC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)n2)cc1 Cc1ccc(cc1)[*:1] NC1=C(C(=O)CN1NC(=O)c1ccc(cc1)[N+](=O)[O-])c1nc(cs1)[*:1]
Cc1ccc(-c2csc(C3=C(N)N(NC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)n2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1csc(n1)C1C(=O)CN(NC(=O)[*:1])C=1N
Cc1ccc(-c2csc(C3=C(N)N(NC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)n2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1csc(n1)C1C(=O)CN(NC(=O)c2ccc(cc2)[*:1])C=1N
Cc1cc(N2CCC[C@H](OC(=O)c3ccc(F)cc3F)C2)nc(C)[nH+]1 Fc1ccc(c(F)c1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCC[C@@H](C1)OC(=O)[*:1]
COc1ccccc1-c1ncc(CN2CC3(CC[NH2+]CC3)CCC2=O)s1 COc1ccccc1[*:1] O=C1CCC2(CC[NH2+]CC2)CN1Cc1cnc(s1)[*:1]
CCCSc1nc2n(n1)[C@@H](c1ccccc1OCC)C1=C(CC(C)(C)CC1=O)N2 CCOc1ccccc1[*:1] CCCSc1nc2NC3CC(C)(C)CC(=O)C=3[C@H](n2n1)[*:1]
CCCSc1nc2n(n1)[C@@H](c1ccccc1OCC)C1=C(CC(C)(C)CC1=O)N2 CCCS[*:1] CCOc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nc(nn21)[*:1]
CCCSc1nc2n(n1)[C@@H](c1ccccc1OCC)C1=C(CC(C)(C)CC1=O)N2 CCC[*:1] CCOc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nc(nn21)S[*:1]
CCCSc1nc2n(n1)[C@@H](c1ccccc1OCC)C1=C(CC(C)(C)CC1=O)N2 CCO[*:1] CCCSc1nc2NC3CC(C)(C)CC(=O)C=3[C@H](c3ccccc3[*:1])n2n1
COc1cccc2c1cc(C(=O)NCCCN1CCOCC1)n2C C1CN(CCO1)C[*:1] COc1cccc2c1cc(C(=O)NCC[*:1])n2C
COc1cccc2c1cc(C(=O)NCCCN1CCOCC1)n2C C1CN(CCO1)[*:1] COc1cccc2c1cc(C(=O)NCCC[*:1])n2C
COc1cccc2c1cc(C(=O)NCCCN1CCOCC1)n2C C1CN(CCO1)CC[*:1] COc1cccc2c1cc(C(=O)NC[*:1])n2C
CN(C)[C@H](CNCc1ccc(F)cc1F)c1ccccc1 CN(C)[*:1] Fc1ccc(CNC[C@H](c2ccccc2)[*:1])c(F)c1
CN(C)[C@H](CNCc1ccc(F)cc1F)c1ccccc1 c1ccc(cc1)[*:1] CN(C)[C@H](CNCc1ccc(F)cc1F)[*:1]
CC(C)Oc1nc(Nc2cccc(Cl)c2Cl)ccc1N CC(C)[*:1] Nc1ccc(nc1O[*:1])Nc1cccc(Cl)c1Cl
CC(C)Oc1nc(Nc2cccc(Cl)c2Cl)ccc1N CC(C)O[*:1] Nc1ccc(nc1[*:1])Nc1cccc(Cl)c1Cl
O=C(/C=C/SCc1ccco1)Nc1cccc2cn[nH]c12 c1coc(c1)C[*:1] O=C(/C=C/S[*:1])Nc1cccc2cn[nH]c12
O=C(/C=C/SCc1ccco1)Nc1cccc2cn[nH]c12 c1coc(c1)CS[*:1] O=C(C=C[*:1])Nc1cccc2cn[nH]c12
O=C(/C=C/SCc1ccco1)Nc1cccc2cn[nH]c12 c1coc(c1)[*:1] O=C(/C=C/SC[*:1])Nc1cccc2cn[nH]c12
CC(=O)c1ccc(OCC(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])Oc1cc(F)ccc1[N+](=O)[O-]
CC(=O)c1ccc(OCC(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)c1ccc(cc1)OCC(=O)Oc1cc(F)ccc1[*:1]
O=Cc1c(N2CCSCC2)nc2ccccn2c1=O C1CN(CCS1)[*:1] O=Cc1c(nc2ccccn2c1=O)[*:1]
CNC(=O)c1cccc(C[S@](=O)CC(=O)NCC2CCC2)c1 C1CC(C1)[*:1] CNC(=O)c1cccc(c1)C[S@](=O)CC(=O)NC[*:1]
CNC(=O)c1cccc(C[S@](=O)CC(=O)NCC2CCC2)c1 CNC(=O)[*:1] O=C(C[S@@](=O)Cc1cccc(c1)[*:1])NCC1CCC1
CNC(=O)c1cccc(C[S@](=O)CC(=O)NCC2CCC2)c1 C1CC(C1)C[*:1] CNC(=O)c1cccc(c1)C[S@](=O)CC(=O)N[*:1]
N#Cc1cccc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1cccc(c1)S(=O)(=O)NCc1ccccc1O[*:1]
N#Cc1cccc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)c1 N#Cc1cccc(c1)[*:1] O=S(=O)(NCc1ccccc1OC(F)(F)F)[*:1]
N#Cc1cccc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)c1 FC(F)(F)O[*:1] N#Cc1cccc(c1)S(=O)(=O)NCc1ccccc1[*:1]
C[C@@H](N[C@H](c1cccnc1)c1ccc(F)c(F)c1)c1cnn(C)c1 C[C@@H](c1cnn(C)c1)[*:1] Fc1ccc(cc1F)[C@H](N[*:1])c1cccnc1
C[C@@H](N[C@H](c1cccnc1)c1ccc(F)c(F)c1)c1cnn(C)c1 c1cncc(c1)[*:1] C[C@@H](N[C@H](c1ccc(F)c(F)c1)[*:1])c1cnn(C)c1
C[C@@H](N[C@H](c1cccnc1)c1ccc(F)c(F)c1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](N[C@H](c1cccnc1)c1ccc(F)c(F)c1)[*:1]
C[C@@H](N[C@H](c1cccnc1)c1ccc(F)c(F)c1)c1cnn(C)c1 Fc1ccc(cc1F)[*:1] C[C@@H](N[C@H](c1cccnc1)[*:1])c1cnn(C)c1
COc1cc(OC)cc([C@@H](N)C(OC)OC)c1 COC(OC)[*:1] COc1cc(cc(c1)[C@@H](N)[*:1])OC
CCc1nn2c(c1-c1cccc(OC)c1)NC(=O)[C@H]2CC(=O)Nc1ccc(OC)cc1 COc1cccc(c1)[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)Nc2ccc(cc2)OC)c1[*:1]
CCc1nn2c(c1-c1cccc(OC)c1)NC(=O)[C@H]2CC(=O)Nc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)N[*:1])c1-c1cccc(c1)OC
C[C@H](CCNC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CCNC(=O)CNC(=O)c1cc2ccccc2[nH]1)[*:1]
C[C@H](CCNC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CNC(=O)c1cc2ccccc2[nH]1)NCC[*:1]
N#Cc1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccccc1Cl Clc1ccccc1[*:1] N#Cc1cnn2c1NC1CCCC(=O)C=1[C@@H]2[*:1]
O=C([O-])[C@H]1CSCN1C(=O)c1cccc2cccnc12 O=C([O-])[*:1] O=C(c1cccc2cccnc12)N1CSC[C@@H]1[*:1]
Cn1nc(C(=O)NCc2ccc(Cl)cc2)cc1NC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)CC[*:1])C(=O)NCc1ccc(Cl)cc1
Cn1nc(C(=O)NCc2ccc(Cl)cc2)cc1NC(=O)CCc1ccccc1 Clc1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)CCc1ccccc1)C(=O)N[*:1]
Cn1nc(C(=O)NCc2ccc(Cl)cc2)cc1NC(=O)CCc1ccccc1 Clc1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)CCc1ccccc1)C(=O)NC[*:1]
Cn1nc(C(=O)NCc2ccc(Cl)cc2)cc1NC(=O)CCc1ccccc1 c1ccc(cc1)CC[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)NCc1ccc(Cl)cc1
Cn1nc(C(=O)NCc2ccc(Cl)cc2)cc1NC(=O)CCc1ccccc1 c1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)C[*:1])C(=O)NCc1ccc(Cl)cc1
COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc12 C(=C[*:1])c1cccs1 COc1ccc(Cl)c2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc12 c1csc(c1)[*:1] COc1ccc(Cl)c2sc(nc12)N(Cc1cccnc1)C(=O)C=C[*:1]
COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc12 c1cncc(c1)C[*:1] COc1ccc(Cl)c2sc(nc12)N(C(=O)/C=C/c1cccs1)[*:1]
COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc12 c1cncc(c1)[*:1] COc1ccc(Cl)c2sc(nc12)N(C[*:1])C(=O)/C=C/c1cccs1
C[C@@]1(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)Cc2ccccc2C(=O)O1 c1ccc(cc1)[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)N[C@H]1CCN(C1=O)[*:1]
C[C@@H]1CSc2ccccc2N(S(=O)(=O)c2cnn(C)c2)C1 Cn1cc(cn1)[*:1] C[C@@H]1CSc2ccccc2N(C1)S(=O)(=O)[*:1]
CSc1nsc(NC(=O)N2CCc3ccccc3CC2)n1 CSc1nsc(n1)[*:1] O=C(N[*:1])N1CCc2ccccc2CC1
CC(C)Cc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)[nH]n1 O=C(c1ccccc1)[*:1] CC(C)Cc1cc([nH]n1)C(=O)N1CCC[C@@H]1C[*:1]
CC(C)Cc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)[nH]n1 c1ccc(cc1)[*:1] CC(C)Cc1cc([nH]n1)C(=O)N1CCC[C@@H]1CC(=O)[*:1]
CC(C)Cc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)[nH]n1 CC(C)C[*:1] O=C(C[C@H]1CCCN1C(=O)c1cc(n[nH]1)[*:1])c1ccccc1
CC(C)Cc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)[nH]n1 CC(C)[*:1] O=C(C[C@H]1CCCN1C(=O)c1cc(C[*:1])n[nH]1)c1ccccc1
CC(C)NC(=O)C[C@H](C)NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 CC(C)NC(=O)[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H](C)c1nc(no1)C(C)(C)C
CC(C)NC(=O)C[C@H](C)NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 CC(C)NC(=O)C[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])c1nc(no1)C(C)(C)C
CC(C)NC(=O)C[C@H](C)NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] CC(C)NC(=O)C[C@H](C)NC(=O)N[C@@H](C)c1nc(no1)[*:1]
CC(C)NC(=O)C[C@H](C)NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 CC(C)[*:1] C[C@@H](CC(=O)N[*:1])NC(=O)N[C@@H](C)c1nc(no1)C(C)(C)C
CCOc1cc(F)ccc1NC(=O)CCc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CCOc1cc(F)ccc1NC(=O)CCc1cnn(c1)[*:1]
CCOc1cc(F)ccc1NC(=O)CCc1cnn(-c2ccccc2)c1 CCO[*:1] O=C(CCc1cnn(c1)-c1ccccc1)Nc1ccc(F)cc1[*:1]
CCOc1ccccc1NC(=O)C1C2CC3CC(C2)CC1C3 CCO[*:1] O=C(Nc1ccccc1[*:1])C1C2CC3CC(C2)CC1C3
CCCCNC(=O)[C@H]1CSCN1C(=O)C[C@H](O)c1ccc(Cl)cc1 CCCC[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)C[C@H](O)c1ccc(Cl)cc1
CCCCNC(=O)[C@H]1CSCN1C(=O)C[C@H](O)c1ccc(Cl)cc1 CCC[*:1] O=C(NC[*:1])[C@H]1CSCN1C(=O)C[C@H](O)c1ccc(Cl)cc1
CCCCNC(=O)[C@H]1CSCN1C(=O)C[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCCNC(=O)[C@H]1CSCN1C(=O)C[C@H](O)[*:1]
CCCCNC(=O)[C@H]1CSCN1C(=O)C[C@H](O)c1ccc(Cl)cc1 CCCCNC(=O)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)N1CSC[C@@H]1[*:1]
Cc1ccc(NC(=S)NCc2ccc[nH+]c2N(C)C)c(C)c1 CN(C)[*:1] Cc1ccc(NC(=S)NCc2ccc[nH+]c2[*:1])c(C)c1
Cc1c(Cl)cccc1NC(=S)N1CCN(Cc2ccccc2Cl)CC1 Clc1ccccc1C[*:1] Cc1c(Cl)cccc1NC(=S)N1CCN(CC1)[*:1]
Cc1c(Cl)cccc1NC(=S)N1CCN(Cc2ccccc2Cl)CC1 Cc1c(Cl)cccc1[*:1] S=C(N[*:1])N1CCN(CC1)Cc1ccccc1Cl
Cc1c(Cl)cccc1NC(=S)N1CCN(Cc2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1c(Cl)cccc1NC(=S)N1CCN(CC1)C[*:1]
O=C(NCCC(=O)N(Cc1ccc(Cl)cc1)C1CC1)c1ccsc1 Clc1ccc(cc1)[*:1] O=C(NCCC(=O)N(C[*:1])C1CC1)c1ccsc1
O=C(NCCC(=O)N(Cc1ccc(Cl)cc1)C1CC1)c1ccsc1 O=C(N[*:1])c1ccsc1 O=C(CC[*:1])N(Cc1ccc(Cl)cc1)C1CC1
O=C(NCCC(=O)N(Cc1ccc(Cl)cc1)C1CC1)c1ccsc1 Clc1ccc(cc1)C[*:1] O=C(NCCC(=O)N(C1CC1)[*:1])c1ccsc1
O=C(NCCC(=O)N(Cc1ccc(Cl)cc1)C1CC1)c1ccsc1 c1cc(cs1)[*:1] O=C(CCNC(=O)[*:1])N(Cc1ccc(Cl)cc1)C1CC1
O=C(NCCC(=O)N(Cc1ccc(Cl)cc1)C1CC1)c1ccsc1 C1CC1[*:1] O=C(NCCC(=O)N(Cc1ccc(Cl)cc1)[*:1])c1ccsc1
CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)cc1Br c1csc(n1)[*:1] CCOc1ccc(cc1Br)NS(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)cc1Br O=C(Nc1nccs1)[*:1] CCOc1ccc(cc1Br)NS(=O)(=O)c1cccc(c1)[*:1]
CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)cc1Br CCO[*:1] O=C(Nc1nccs1)c1cccc(c1)S(=O)(=O)Nc1ccc(c(Br)c1)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)Nc2cccc(C(C)=O)c2)cc1C CC(=O)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)Nc2cccc(C(C)=O)c2)cc1C CC(=O)N[*:1] CC(=O)c1cccc(c1)NC(=O)Nc1cc(C)c(c(C)c1)[*:1]
O=C(CSc1nnc(COc2ccc(F)cc2)o1)c1ccc[nH]1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(CO[*:1])o1)c1ccc[nH]1
O=C(CSc1nnc(COc2ccc(F)cc2)o1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(CSc1nnc(COc2ccc(F)cc2)o1)[*:1]
O=C(CSc1nnc(COc2ccc(F)cc2)o1)c1ccc[nH]1 O=C(c1ccc[nH]1)[*:1] Fc1ccc(cc1)OCc1nnc(o1)SC[*:1]
COc1ccc2c(c1)cc(C(=O)N[C@H](C)Cc1cnccn1)n2C c1cnc(cn1)C[*:1] COc1ccc2c(c1)cc(C(=O)N[C@H](C)[*:1])n2C
COc1ccc2c(c1)cc(C(=O)N[C@H](C)Cc1cnccn1)n2C c1cnc(cn1)[*:1] COc1ccc2c(c1)cc(C(=O)N[C@H](C)C[*:1])n2C
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)CC(C)(C)c3ccc(C)cc3)C2)c1 CCOC(=O)[*:1] Cc1ccc(cc1)C(C)(C)CC(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)CC(C)(C)c3ccc(C)cc3)C2)c1 Cc1ccc(cc1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)CC(C)(C)[*:1]
C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1nc2ccccc2[nH]1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)NC[C@@H]([NH+](C)C)[*:1])c1nc2ccccc2[nH]1
C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[*:1]
NC(=O)[C@H]1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)CCO1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CN(CCO1)C(=O)Nc1cccc(c1)O[*:1]
NC(=O)[C@H]1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)CCO1 NC(=O)[*:1] O=C(Nc1cccc(c1)Oc1ccccc1)N1CCO[C@H](C1)[*:1]
NC(=O)[C@H]1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)CCO1 c1ccc(cc1)O[*:1] NC(=O)[C@H]1CN(CCO1)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(NC(=O)CN2CCc3nc(NC(C)=O)sc3C2)cc1OC CC(=O)N[*:1] COc1ccc(cc1OC)NC(=O)CN1CCc2nc(sc2C1)[*:1]
COc1ccc(C(=O)N2CC[NH+](Cc3nc(=O)c4c5c(sc4[nH]3)CCCC5)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N1CC[NH+](CC1)Cc1nc(=O)c2c3CCCCc3sc2[nH]1)[*:1]
CCCS(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2OC)c1C COc1ccccc1[*:1] CCCS(=O)(=O)[N-]c1cccc(NC(=O)[*:1])c1C
CCCS(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2OC)c1C CCC[*:1] COc1ccccc1C(=O)Nc1cccc([N-]S(=O)(=O)[*:1])c1C
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCC(C)(C)c2ccccc2)cc1 CC(C)(c1ccccc1)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)NC[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCC(C)(C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)NCC(C)(C)[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCC(C)(C)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] CC(C)(CNC(=O)[C@@H]1CCC(=O)N1C[*:1])c1ccccc1
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCC(C)(C)c2ccccc2)cc1 Cc1ccc(cc1)C[*:1] CC(C)(CNC(=O)[C@@H]1CCC(=O)N1[*:1])c1ccccc1
COC(C)(C)CNC(=O)[C@@H](C)c1c(C)noc1C COC(C)(C)[*:1] Cc1noc(C)c1[C@H](C)C(=O)NC[*:1]
COC(C)(C)CNC(=O)[C@@H](C)c1c(C)noc1C COC(C)(C)C[*:1] Cc1noc(C)c1[C@H](C)C(=O)N[*:1]
CCc1c(C)sc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)c1C#N Brc1ccc(cc1)[*:1] CCc1c(C)sc(NC(=O)c2cc(on2)[*:1])c1C#N
CCCn1cc(-c2nc(-c3ccc(OC(C)C)cc3)no2)c(=O)c2cc(C)ccc21 CC(C)Oc1ccc(cc1)[*:1] CCCn1cc(-c2nc(no2)[*:1])c(=O)c2cc(C)ccc21
CCCn1cc(-c2nc(-c3ccc(OC(C)C)cc3)no2)c(=O)c2cc(C)ccc21 CCC[*:1] Cc1ccc2c(c1)c(=O)c(cn2[*:1])-c1nc(no1)-c1ccc(cc1)OC(C)C
CCCn1cc(-c2nc(-c3ccc(OC(C)C)cc3)no2)c(=O)c2cc(C)ccc21 CC(C)[*:1] CCCn1cc(-c2nc(no2)-c2ccc(cc2)O[*:1])c(=O)c2cc(C)ccc21
CCCn1cc(-c2nc(-c3ccc(OC(C)C)cc3)no2)c(=O)c2cc(C)ccc21 CC(C)O[*:1] CCCn1cc(-c2nc(no2)-c2ccc(cc2)[*:1])c(=O)c2cc(C)ccc21
CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCc2ccc(F)cc21 c1ccc(cc1)[*:1] CC[C@H](CS(=O)(=O)[*:1])[NH2+][C@@H]1CCc2ccc(F)cc21
Cc1cnn(CCCNc2nc(C)nc3[nH]ccc23)c1 Cc1cnn(c1)[*:1] Cc1nc(NCCC[*:1])c2cc[nH]c2n1
Cc1cc(NC(=O)CCc2nc(-c3ccccc3)no2)n([C@H]2CCS(=O)(=O)C2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CCc2nc(no2)[*:1])n(n1)[C@H]1CCS(=O)(=O)C1
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(c3cccc(Cl)c3)CC1)OC2=O Clc1cccc(c1)[*:1] CC1(C)[C@]2(C)CC[C@]1(OC2=O)C(=O)N1CCN(CC1)[*:1]
COCCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 COCCC[*:1] O=C(N[*:1])c1ccc2c(=O)n3CCCCCCc3nc2c1
COCCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 COC[*:1] O=C(NCC[*:1])c1ccc2c(=O)n3CCCCCCc3nc2c1
COCCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 COCCCNC(=O)[*:1] O=c1c2ccc(cc2nc2CCCCCCn21)[*:1]
COCCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 COCC[*:1] O=C(NC[*:1])c1ccc2c(=O)n3CCCCCCc3nc2c1
CCOc1ccc(Cl)cc1/C=N\O ON=C[*:1] CCOc1ccc(Cl)cc1[*:1]
CCOc1ccc(Cl)cc1/C=N\O CCO[*:1] O/N=C\c1cc(Cl)ccc1[*:1]
C[C@@H](CO)NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H](CO)NC(=O)NCc1cn(nc1-c1ccc(F)cc1)[*:1]
C[C@@H](CO)NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CO)NC(=O)NCc1cn(nc1[*:1])-c1ccccc1
CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)CCc4ccccc4)nn3c(O)c2C1 c1ccc(cc1)C[*:1] CC(=O)N1CCc2nc3cc(nn3c(O)c2C1)[C@@H]1CCCCN1C(=O)C[*:1]
CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)CCc4ccccc4)nn3c(O)c2C1 c1ccc(cc1)[*:1] CC(=O)N1CCc2nc3cc(nn3c(O)c2C1)[C@@H]1CCCCN1C(=O)CC[*:1]
CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)CCc4ccccc4)nn3c(O)c2C1 c1ccc(cc1)CC[*:1] CC(=O)N1CCc2nc3cc(nn3c(O)c2C1)[C@@H]1CCCCN1C(=O)[*:1]
CCCNC(=O)CCC(=O)NCC1(C)Cc2ccccc2C1 CCC[*:1] CC1(CNC(=O)CCC(=O)N[*:1])Cc2ccccc2C1
CCCNC(=O)CCC(=O)NCC1(C)Cc2ccccc2C1 CCCNC(=O)[*:1] CC1(CNC(=O)CC[*:1])Cc2ccccc2C1
CCCNC(=O)CCC(=O)NCC1(C)Cc2ccccc2C1 CCCNC(=O)C[*:1] CC1(CNC(=O)C[*:1])Cc2ccccc2C1
COc1ccc2c(c1)s/c(=N\C(=O)c1ccc(N3C(=O)CCC3=O)cc1)n2CCSC CSCC[*:1] COc1ccc2c(c1)s/c(=N\C(=O)c1ccc(cc1)N1C(=O)CCC1=O)n2[*:1]
COc1ccc2c(c1)s/c(=N\C(=O)c1ccc(N3C(=O)CCC3=O)cc1)n2CCSC O=C1CCC(=O)N1[*:1] COc1ccc2c(c1)s/c(=N\C(=O)c1ccc(cc1)[*:1])n2CCSC
COc1ccc2c(c1)s/c(=N\C(=O)c1ccc(N3C(=O)CCC3=O)cc1)n2CCSC CSC[*:1] COc1ccc2c(c1)s/c(=N\C(=O)c1ccc(cc1)N1C(=O)CCC1=O)n2C[*:1]
COC(=O)Nc1nc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)cs1 c1coc(c1)[*:1] COC(=O)Nc1nc(cs1)CC(=O)N1CCN(CC1)C(=O)[*:1]
COC(=O)Nc1nc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)cs1 COC(=O)N[*:1] O=C(Cc1csc(n1)[*:1])N1CCN(CC1)C(=O)c1ccco1
COC(=O)Cn1cnc(-c2ccccn2)n1 COC(=O)[*:1] c1ccc(nc1)-c1ncn(C[*:1])n1
COC(=O)Cn1cnc(-c2ccccn2)n1 COC(=O)C[*:1] c1ccc(nc1)-c1ncn(n1)[*:1]
C/C(=N/NC(=O)[C@@H]1C=C(c2ccc(Cl)cc2Cl)N=N1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C/C(=N/NC(=O)[C@@H]1C=C(N=N1)c1ccc(Cl)cc1Cl)c1ccc(cc1)[*:1]
C/C(=N/NC(=O)[C@@H]1C=C(c2ccc(Cl)cc2Cl)N=N1)c1ccc([N+](=O)[O-])cc1 Clc1ccc(c(Cl)c1)[*:1] C/C(=N/NC(=O)[C@@H]1C=C(N=N1)[*:1])c1ccc(cc1)[N+](=O)[O-]
C/C(=N/NC(=O)[C@@H]1C=C(c2ccc(Cl)cc2Cl)N=N1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(=NNC(=O)[C@@H]1C=C(N=N1)c1ccc(Cl)cc1Cl)[*:1]
Cc1cccnc1C(=O)N1CCCC[C@@H]1C[C@@H](C)O C[C@@H](O)C[*:1] Cc1cccnc1C(=O)N1CCCC[C@H]1[*:1]
Cc1cccnc1C(=O)N1CCCC[C@@H]1C[C@@H](C)O C[C@@H](O)[*:1] Cc1cccnc1C(=O)N1CCCC[C@@H]1C[*:1]
COc1ccccc1[C@@H](OC(=O)c1scnc1C1CC1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](OC(=O)c1scnc1C1CC1)[*:1]
COc1ccccc1[C@@H](OC(=O)c1scnc1C1CC1)c1ccccn1 C1CC1[*:1] COc1ccccc1[C@@H](OC(=O)c1scnc1[*:1])c1ccccn1
COc1ccccc1[C@@H](OC(=O)c1scnc1C1CC1)c1ccccn1 COc1ccccc1[*:1] O=C(O[C@@H](c1ccccn1)[*:1])c1scnc1C1CC1
COc1ccccc1[C@@H](OC(=O)c1scnc1C1CC1)c1ccccn1 c1nc(c(s1)[*:1])C1CC1 COc1ccccc1[C@@H](OC(=O)[*:1])c1ccccn1
O[C@@H](Cc1nccs1)c1ccc(F)cn1 c1csc(n1)[*:1] O[C@@H](C[*:1])c1ccc(F)cn1
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)cc1 CC[C@@H](C)[*:1] Cc1ccc(cc1)C(=O)N1CCNC(=O)[C@H]1CC(=O)O[*:1]
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)[*:1]
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)cc1 CC[C@@H](C)OC(=O)[*:1] Cc1ccc(cc1)C(=O)N1CCNC(=O)[C@H]1C[*:1]
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)cc1 CC[C@@H](C)OC(=O)C[*:1] Cc1ccc(cc1)C(=O)N1CCNC(=O)[C@H]1[*:1]
Cc1ccc2oc([C@H]3CCN(Cc4ccccc4)C3)nc2c1 c1ccc(cc1)[*:1] Cc1ccc2oc(nc2c1)[C@H]1CCN(C1)C[*:1]
Cc1ccc2oc([C@H]3CCN(Cc4ccccc4)C3)nc2c1 c1ccc(cc1)C[*:1] Cc1ccc2oc(nc2c1)[C@H]1CCN(C1)[*:1]
Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(CCCO)C3=O Brc1ccc(cc1)[*:1] Cc1cc(C)c2oc3C(=O)N(CCCO)[C@H](c3c(=O)c2c1)[*:1]
Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(CCCO)C3=O OCCC[*:1] Cc1cc(C)c2oc3C(=O)N([C@H](c4ccc(Br)cc4)c3c(=O)c2c1)[*:1]
Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(CCCO)C3=O OCC[*:1] Cc1cc(C)c2oc3C(=O)N(C[*:1])[C@H](c4ccc(Br)cc4)c3c(=O)c2c1
CC[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
COc1cc(OC)cc(N2C[C@H](C(=O)N(C)Cc3ccccc3)CC2=O)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)N1C[C@@H](CC1=O)C(=O)N(C)C[*:1])OC
COc1cc(OC)cc(N2C[C@H](C(=O)N(C)Cc3ccccc3)CC2=O)c1 c1ccc(cc1)C[*:1] COc1cc(cc(c1)N1C[C@@H](CC1=O)C(=O)N(C)[*:1])OC
CCNC(=O)COc1ccc(NC(N)=O)cc1 CCNC(=O)[*:1] NC(=O)Nc1ccc(cc1)OC[*:1]
CCNC(=O)COc1ccc(NC(N)=O)cc1 NC(=O)N[*:1] CCNC(=O)COc1ccc(cc1)[*:1]
CSc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)C(=O)Nc1sc(cc1C(N)=O)[*:1]
CSc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1 CSc1cccc(c1)[*:1] NC(=O)c1cc(sc1NC(=O)[*:1])-c1ccccc1
CSc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1 NC(=O)[*:1] CSc1cccc(c1)C(=O)Nc1sc(cc1[*:1])-c1ccccc1
Cc1ccc(S(=O)(=O)/N=C([O-])/C=C/c2ccc(C(=O)NC3CC3)cc2)cc1C C1CC1[*:1] Cc1ccc(cc1C)S(=O)(=O)/N=C([O-])/C=C/c1ccc(cc1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)/N=C([O-])/C=C/c2ccc(C(=O)NC3CC3)cc2)cc1C Cc1ccc(cc1C)[*:1] O=C(NC1CC1)c1ccc(/C=C/C([O-])=N/S(=O)(=O)[*:1])cc1
Cc1ccc(S(=O)(=O)/N=C([O-])/C=C/c2ccc(C(=O)NC3CC3)cc2)cc1C O=C(NC1CC1)[*:1] Cc1ccc(cc1C)S(=O)(=O)/N=C([O-])/C=C/c1ccc(cc1)[*:1]
Cc1cc(C)cc(OCCN(C)C(=O)c2ccc(C(=O)N(C)C)cc2)c1 Cc1cc(C)cc(c1)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)N(C)CCO[*:1]
Cc1cc(C)cc(OCCN(C)C(=O)c2ccc(C(=O)N(C)C)cc2)c1 CN(C)C(=O)[*:1] Cc1cc(C)cc(c1)OCCN(C)C(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cn1 COC(=O)[*:1] N#Cc1cccc(c1)NC(=O)c1ccc(nc1)[*:1]
Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H]([NH2+]CCc1cccnc1)C2 Fc1ccc(cc1)[*:1] Cn1nc(C(=O)NC[*:1])c2C[C@H](CCc21)[NH2+]CCc1cccnc1
Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H]([NH2+]CCc1cccnc1)C2 Fc1ccc(cc1)C[*:1] Cn1nc(C(=O)N[*:1])c2C[C@H](CCc21)[NH2+]CCc1cccnc1
Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H]([NH2+]CCc1cccnc1)C2 c1cncc(c1)[*:1] Cn1nc(C(=O)NCc2ccc(F)cc2)c2C[C@H](CCc21)[NH2+]CC[*:1]
Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H]([NH2+]CCc1cccnc1)C2 c1cncc(c1)CC[*:1] Cn1nc(C(=O)NCc2ccc(F)cc2)c2C[C@H](CCc21)[NH2+][*:1]
Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H]([NH2+]CCc1cccnc1)C2 c1cncc(c1)C[*:1] Cn1nc(C(=O)NCc2ccc(F)cc2)c2C[C@H](CCc21)[NH2+]C[*:1]
CCc1ccccc1NC(=O)C(=O)NCc1ccccc1Cn1cccn1 c1cnn(c1)C[*:1] CCc1ccccc1NC(=O)C(=O)NCc1ccccc1[*:1]
CCc1ccccc1NC(=O)C(=O)NCc1ccccc1Cn1cccn1 c1cnn(c1)[*:1] CCc1ccccc1NC(=O)C(=O)NCc1ccccc1C[*:1]
CCc1ccccc1NC(=O)C(=O)NCc1ccccc1Cn1cccn1 CCc1ccccc1[*:1] O=C(NCc1ccccc1Cn1cccn1)C(=O)N[*:1]
O=C(NC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 C1CC1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2
O=C(NC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 O=C(NC1CC1)[*:1] O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCC(CC1)[*:1]
CSc1ccc([C@H]2C[NH+]=C(N)N2C2CCCC2)cc1 C1CCC(C1)[*:1] CSc1ccc(cc1)[C@H]1C[NH+]=C(N)N1[*:1]
Cc1ccc(N2CCN(CC(=O)N3CCN(c4cccc[nH+]4)CC3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])N1CCN(CC1)c1cccc[nH+]1
COc1ccc(CNC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cc1C CN(C)C(=O)[*:1] COc1ccc(cc1C)CNC(=O)Nc1ccc(C)c(c1)[*:1]
CCOC(=O)[C@H]1CCCN(c2ncnc(N3CCOCC3)c2N)C1 C1CN(CCO1)[*:1] CCOC(=O)[C@H]1CCCN(C1)c1ncnc(c1N)[*:1]
CCOC(=O)[C@H]1CCCN(c2ncnc(N3CCOCC3)c2N)C1 CCOC(=O)[*:1] Nc1c(ncnc1N1CCC[C@@H](C1)[*:1])N1CCOCC1
O=C(Cc1ccccc1O)NCCc1cccc2cccnc12 Oc1ccccc1[*:1] O=C(C[*:1])NCCc1cccc2cccnc12
CCOc1cccc(C(=N)NC(=O)c2cc(C)oc2C)c1 Cc1cc(c(C)o1)[*:1] CCOc1cccc(c1)C(=N)NC(=O)[*:1]
CCOc1cccc(C(=N)NC(=O)c2cc(C)oc2C)c1 CCO[*:1] Cc1cc(C(=O)NC(=N)c2cccc(c2)[*:1])c(C)o1
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H](C)Oc1cccc(C#N)c1 Cc1ccc(cc1)[*:1] CCN(C[C@@H](O)[*:1])C(=O)[C@H](C)Oc1cccc(C#N)c1
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H](C)Oc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H](C)O[*:1]
Cc1cncc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 c1cncc(c1)C[*:1] Cc1cncc(c1)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1cncc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 c1cncc(c1)[*:1] Cc1cncc(c1)C(=O)Nc1ccccc1C(=O)NC[*:1]
Cc1cncc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 Cc1cncc(c1)[*:1] O=C(NCc1cccnc1)c1ccccc1NC(=O)[*:1]
COc1ccc(-c2csc(NC(=O)[C@H](C)n3c(N)nnc3SC)c2C#N)cc1 CSc1nnc(N)n1[*:1] COc1ccc(cc1)-c1csc(NC(=O)[C@H](C)[*:1])c1C#N
COc1ccc(-c2csc(NC(=O)[C@H](C)n3c(N)nnc3SC)c2C#N)cc1 COc1ccc(cc1)[*:1] CSc1nnc(N)n1[C@@H](C)C(=O)Nc1scc(c1C#N)[*:1]
Cc1ccc(CN(C)C(=O)CN(C)c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] Cc1ccc(CN(C)C(=O)CN(C)[*:1])o1
Cc1ccc(CN(C)C(=O)CN(C)c2ccc(F)cc2)o1 Cc1ccc(C[*:1])o1 CN(CC(=O)N(C)[*:1])c1ccc(F)cc1
Cc1ccc(CN(C)C(=O)CN(C)c2ccc(F)cc2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)CN(C)c1ccc(F)cc1
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1N1CCN(CC1)[*:1])S(=O)(=O)N1CCOCC1
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(c2ccccc2)CC1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(c(c1)[*:1])N1CCN(CC1)c1ccccc1)N1CCOCC1
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(c2ccccc2)CC1 O=S(=O)(N1CCOCC1)[*:1] O=[N+]([O-])c1cc(ccc1N1CCN(CC1)c1ccccc1)[*:1]
CCC(C)(C)NC(=O)[C@H](C)n1ccnc1C#N CCC(C)(C)[*:1] C[C@@H](C(=O)N[*:1])n1ccnc1C#N
CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1[NH2+][C@@H]1CCNC1 C1C[C@H](CN1)[*:1] CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1[NH2+][*:1]
O=C(COCC(F)(F)F)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 FC(F)(F)C[*:1] O=C(CO[*:1])Nc1ccc(cc1)-c1nc2ccccc2n1C(F)F
O=C(COCC(F)(F)F)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 FC(F)[*:1] O=C(COCC(F)(F)F)Nc1ccc(cc1)-c1nc2ccccc2n1[*:1]
O=C(COCC(F)(F)F)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 FC(F)(F)CO[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1nc2ccccc2n1C(F)F
O=C(COCC(F)(F)F)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 FC(F)(F)COC[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2n1C(F)F)[*:1]
O=C(COCC(F)(F)F)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 FC(F)(F)[*:1] O=C(COC[*:1])Nc1ccc(cc1)-c1nc2ccccc2n1C(F)F
O=C(N1CCC(OC[C@@H]2CCCO2)CC1)C1(c2ccccc2)CC1 C1CO[C@@H](C1)CO[*:1] O=C(N1CCC(CC1)[*:1])C1(CC1)c1ccccc1
O=C(N1CCC(OC[C@@H]2CCCO2)CC1)C1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(N1CCC(CC1)OC[C@@H]1CCCO1)C1(CC1)[*:1]
COc1ccc(Br)cc1S(=O)(=O)CC(N)=O NC(=O)C[*:1] COc1ccc(Br)cc1S(=O)(=O)[*:1]
COc1ccc(Br)cc1S(=O)(=O)CC(N)=O NC(=O)[*:1] COc1ccc(Br)cc1S(=O)(=O)C[*:1]
COC1CCN(CC[NH2+]Cc2cccc(-c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] COC1CCN(CC[NH2+]Cc2cccc(c2)[*:1])CC1
COC1CCN(CC[NH2+]Cc2cccc(-c3ccccc3)c2)CC1 COC1CCN(CC1)[*:1] c1ccc(cc1)-c1cccc(c1)C[NH2+]CC[*:1]
Cc1cc(C(=O)NCC2CCC2)c(C)n1Cc1ccco1 C1CC(C1)[*:1] Cc1cc(C(=O)NC[*:1])c(C)n1Cc1ccco1
Cc1cc(C(=O)NCC2CCC2)c(C)n1Cc1ccco1 c1coc(c1)[*:1] Cc1cc(C(=O)NCC2CCC2)c(C)n1C[*:1]
Cc1cc(C(=O)NCC2CCC2)c(C)n1Cc1ccco1 C1CC(C1)C[*:1] Cc1cc(C(=O)N[*:1])c(C)n1Cc1ccco1
Cc1cc(C(=O)NCC2CCC2)c(C)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1cc(C(=O)NCC2CCC2)c(C)n1[*:1]
COC(=O)c1ccc(OCc2ccc(C(=O)N3CCCC3)cc2)c(OC)c1 COC(=O)[*:1] COc1cc(ccc1OCc1ccc(cc1)C(=O)N1CCCC1)[*:1]
COC(=O)c1ccc(OCc2ccc(C(=O)N3CCCC3)cc2)c(OC)c1 O=C(N1CCCC1)[*:1] COC(=O)c1ccc(OCc2ccc(cc2)[*:1])c(c1)OC
COc1cc(OC)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl O=[N+]([O-])[*:1] COc1cc(OC)c(cc1Cl)NC(=O)[C@H](C)c1ccc(cc1)[*:1]
COc1cc(Br)cc(C(=O)Cl)c1OC O=C(Cl)[*:1] COc1cc(Br)cc(c1OC)[*:1]
COCCN(CC(=O)[O-])C(=O)c1cccc(N)c1 COCC[*:1] Nc1cccc(c1)C(=O)N(CC(=O)[O-])[*:1]
COCCN(CC(=O)[O-])C(=O)c1cccc(N)c1 O=C([O-])C[*:1] COCCN(C(=O)c1cccc(N)c1)[*:1]
COCCN(CC(=O)[O-])C(=O)c1cccc(N)c1 O=C([O-])[*:1] COCCN(C[*:1])C(=O)c1cccc(N)c1
COCCN(CC(=O)[O-])C(=O)c1cccc(N)c1 COC[*:1] Nc1cccc(c1)C(=O)N(CC(=O)[O-])C[*:1]
CCNC(=O)c1csc(N2CCC[C@@H](C)C2)n1 CCNC(=O)[*:1] C[C@@H]1CCCN(C1)c1nc(cs1)[*:1]
COc1c(CNCc2cccnc2-n2cncn2)c(C(C)C)nn1C CC(C)[*:1] COc1c(CNCc2cccnc2-n2cncn2)c(nn1C)[*:1]
COc1c(CNCc2cccnc2-n2cncn2)c(C(C)C)nn1C c1ncn(n1)[*:1] COc1c(CNCc2cccnc2[*:1])c(nn1C)C(C)C
N#C/C(=C\c1ccccc1F)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] N#CC(=C[*:1])C(=O)Nc1ccccc1F
N#C/C(=C\c1ccccc1F)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] N#C/C(=C\c1ccccc1F)C(=O)N[*:1]
O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(OCc1ccc(cc1)[N+](=O)[O-])[C@@H]1C[C@@H]1[*:1]
O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccccc1F O=[N+]([O-])[*:1] O=C(OCc1ccc(cc1)[*:1])[C@@H]1C[C@H]1c1ccccc1F
CCOCCN(CC)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C CCOC[*:1] CCN(C[*:1])C(=O)c1cc2cc(ccc2n1C)C(F)(F)F
CCOCCN(CC)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C CCO[*:1] CCN(CC[*:1])C(=O)c1cc2cc(ccc2n1C)C(F)(F)F
CCOCCN(CC)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C CCOCC[*:1] CCN(C(=O)c1cc2cc(ccc2n1C)C(F)(F)F)[*:1]
CCOCCN(CC)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C FC(F)(F)[*:1] CCOCCN(CC)C(=O)c1cc2cc(ccc2n1C)[*:1]
CC(=O)N1CCC(CCC(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)CC1 CC(C)c1ccc(cc1)[*:1] CC(=O)N1CCC(CCC(=O)N2CCC[C@@H]2[*:1])CC1
CC(=O)N1CCC(CCC(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)CC1 CC(=O)N1CCC(CC1)[*:1] CC(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)CC[*:1]
CC(=O)N1CCC(CCC(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)CC1 CC(C)[*:1] CC(=O)N1CCC(CCC(=O)N2CCC[C@H]2c2ccc(cc2)[*:1])CC1
COc1c(F)cc(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1F c1ccc(cc1)[*:1] COc1c(F)cc(cc1F)NC(=O)C(=O)N[C@H](C)CC[*:1]
COc1c(F)cc(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1F c1ccc(cc1)CC[*:1] COc1c(F)cc(cc1F)NC(=O)C(=O)N[C@H](C)[*:1]
COc1c(F)cc(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1F c1ccc(cc1)C[*:1] COc1c(F)cc(cc1F)NC(=O)C(=O)N[C@H](C)C[*:1]
Cc1cc(C(=O)NCCc2ccccc2F)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(NCCc1ccccc1F)[*:1]
CC(C)[C@@]1([C@H]2CCc3cccnc32)CCCCC[NH2+]1 CC(C)[*:1] c1cnc2c(c1)CC[C@@H]2[C@]1(CCCCC[NH2+]1)[*:1]
CNC(=O)c1ccc(C[NH2+]C2CCCCCCC2)cc1 CNC(=O)[*:1] c1cc(ccc1C[NH2+]C1CCCCCCC1)[*:1]
COCCn1nc(C)c(NC(=O)N(CC(C)(C)O)C(C)C)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)N(CC(C)(C)O)C(C)C)[*:1]
COCCn1nc(C)c(NC(=O)N(CC(C)(C)O)C(C)C)c1C CC(C)(O)C[*:1] COCCn1nc(C)c(NC(=O)N(C(C)C)[*:1])c1C
COCCn1nc(C)c(NC(=O)N(CC(C)(C)O)C(C)C)c1C CC(C)(O)[*:1] COCCn1nc(C)c(NC(=O)N(C[*:1])C(C)C)c1C
COCCn1nc(C)c(NC(=O)N(CC(C)(C)O)C(C)C)c1C CC(C)[*:1] COCCn1nc(C)c(NC(=O)N(CC(C)(C)O)[*:1])c1C
COCCn1nc(C)c(NC(=O)N(CC(C)(C)O)C(C)C)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)N(CC(C)(C)O)C(C)C
Cc1cccc(CN(CC[NH+](C)C)c2cncc(C(N)=O)n2)c1 NC(=O)[*:1] Cc1cccc(c1)CN(CC[NH+](C)C)c1cncc(n1)[*:1]
Cc1cccc(CN(CC[NH+](C)C)c2cncc(C(N)=O)n2)c1 Cc1cccc(c1)[*:1] C[NH+](C)CCN(C[*:1])c1cncc(n1)C(N)=O
COc1ccc(Oc2cc(CNC(=O)Nc3cnccc3C)ccn2)cc1 COc1ccc(cc1)[*:1] Cc1ccncc1NC(=O)NCc1ccnc(c1)O[*:1]
COc1ccc(Oc2cc(CNC(=O)Nc3cnccc3C)ccn2)cc1 COc1ccc(cc1)O[*:1] Cc1ccncc1NC(=O)NCc1ccnc(c1)[*:1]
COc1ccc(Oc2cc(CNC(=O)Nc3cnccc3C)ccn2)cc1 Cc1ccncc1[*:1] COc1ccc(cc1)Oc1cc(ccn1)CNC(=O)N[*:1]
C#CCNC(=O)NC1(c2cccc(F)c2)CC1 C#CC[*:1] O=C(NC1(CC1)c1cccc(F)c1)N[*:1]
O=C(N[C@H]1CC(=O)N(C2CC2)C1)N[C@H](CO)c1ccco1 C1CC1[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])N[C@H](CO)c1ccco1
O=C(N[C@H]1CC(=O)N(C2CC2)C1)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)N[C@H](CO)[*:1]
Cc1ccccc1-c1nc2nc(C)c(CC(=O)N3CCc4ccccc4C3)c(C)n2n1 Cc1ccccc1[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)N1CCc2ccccc2C1)[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)C3C[C@H](C)O[C@@H](C)C3)C2)nc2ccccc21 CC(C)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC[C@@H](C1)c1nc2ccccc2n1[*:1]
CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1 CC1CCC(CC1)[*:1] CNS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1 CNS(=O)(=O)[*:1] CC1CCC(CC1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCc1ccc([C@@H](NC(=O)NCCC(=O)N(C)C)C(C)(C)C)o1 CC(C)(C)[*:1] CCc1ccc(o1)[C@@H](NC(=O)NCCC(=O)N(C)C)[*:1]
CCc1ccc([C@@H](NC(=O)NCCC(=O)N(C)C)C(C)(C)C)o1 CN(C)C(=O)[*:1] CCc1ccc(o1)[C@@H](NC(=O)NCC[*:1])C(C)(C)C
CCc1ccc([C@@H](NC(=O)NCCC(=O)N(C)C)C(C)(C)C)o1 CN(C)C(=O)C[*:1] CCc1ccc(o1)[C@@H](NC(=O)NC[*:1])C(C)(C)C
CCc1ccc([C@@H](NC(=O)NCCC(=O)N(C)C)C(C)(C)C)o1 CN(C)C(=O)CC[*:1] CCc1ccc(o1)[C@@H](NC(=O)N[*:1])C(C)(C)C
CCc1ccc([C@@H](NC(=O)NCCC(=O)N(C)C)C(C)(C)C)o1 CCc1ccc(o1)[*:1] CN(C)C(=O)CCNC(=O)N[C@@H](C(C)(C)C)[*:1]
O=C(CNC(=O)c1ccoc1)Nc1nc2c3c(ccc2s1)CCCC3 c1cc(co1)[*:1] O=C(CNC(=O)[*:1])Nc1nc2c3CCCCc3ccc2s1
O=C(CNC(=O)c1ccoc1)Nc1nc2c3c(ccc2s1)CCCC3 O=C(N[*:1])c1ccoc1 O=C(C[*:1])Nc1nc2c3CCCCc3ccc2s1
Cc1csc(SCC(=O)N2CCC[C@@H]2c2ccc(C(=O)N(C)C)s2)n1 Cc1csc(n1)S[*:1] CN(C)C(=O)c1ccc(s1)[C@H]1CCCN1C(=O)C[*:1]
Cc1csc(SCC(=O)N2CCC[C@@H]2c2ccc(C(=O)N(C)C)s2)n1 Cc1csc(n1)[*:1] CN(C)C(=O)c1ccc(s1)[C@H]1CCCN1C(=O)CS[*:1]
Cc1csc(SCC(=O)N2CCC[C@@H]2c2ccc(C(=O)N(C)C)s2)n1 CN(C)C(=O)[*:1] Cc1csc(n1)SCC(=O)N1CCC[C@@H]1c1ccc(s1)[*:1]
Cc1csc(SCC(=O)N2CCC[C@@H]2c2ccc(C(=O)N(C)C)s2)n1 Cc1csc(n1)SC[*:1] CN(C)C(=O)c1ccc(s1)[C@H]1CCCN1C(=O)[*:1]
CCOc1ccccc1CCNC(=O)N(C)Cc1ccc(C#N)cc1 CCO[*:1] CN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccccc1[*:1]
CCOc1ccccc1CCNC(=O)N(C)Cc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCOc1ccccc1CCNC(=O)N(C)C[*:1]
CCOC(=O)[C@H](C)N(C)Cc1c[nH]nc1-c1c(F)cccc1F CCOC(=O)[C@H](C)[*:1] CN(Cc1c[nH]nc1-c1c(F)cccc1F)[*:1]
CCOC(=O)[C@H](C)N(C)Cc1c[nH]nc1-c1c(F)cccc1F CCOC(=O)[*:1] C[C@H](N(C)Cc1c[nH]nc1-c1c(F)cccc1F)[*:1]
CC[NH+](CC)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 C[NH+]1CCN(CC1)[*:1] CC[NH+](CC)CC(=O)Nc1ccc(nc1)[*:1]
C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C[C@H]1O FC(F)(F)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)[C@@H]1C[C@@H]1c1cccc(c1)[*:1]
O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1])C1CCCCC1
O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)[*:1]
COc1cccc(/C=C/C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 c1ccc(cc1)[*:1] COc1cccc(/C=C/C(=O)N(C[*:1])[C@H]2CCS(=O)(=O)C2)c1
COc1cccc(/C=C/C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 c1ccc(cc1)C[*:1] COc1cccc(/C=C/C(=O)N([C@H]2CCS(=O)(=O)C2)[*:1])c1
COc1cccc(/C=C/C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 COc1cccc(c1)[*:1] O=C(C=C[*:1])N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1
C=C[C@@H](C)NC(=O)N1CCC(OCc2ccccc2C)CC1 Cc1ccccc1[*:1] C=C[C@@H](C)NC(=O)N1CCC(CC1)OC[*:1]
CC[C@H](Sc1nnnn1C1CCOCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](Sc1nnnn1C1CCOCC1)[*:1]
CC[C@H](Sc1nnnn1C1CCOCC1)c1ccc(Cl)cc1 C1CC(CCO1)[*:1] CC[C@H](Sc1nnnn1[*:1])c1ccc(Cl)cc1
COC(=O)c1ccc(/[NH+]=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)cc2F)cc1 COC(=O)[*:1] Cc1ncc(CO)c2cc(C(=O)Nc3ccc(F)cc3F)/c(=[NH+]/c3ccc(cc3)[*:1])oc12
COC(=O)c1ccc(/[NH+]=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)cc2F)cc1 O=C(Nc1ccc(F)cc1F)[*:1] COC(=O)c1ccc(cc1)/[NH+]=c1\oc2c(C)ncc(CO)c2cc1[*:1]
COC(=O)c1ccc(/[NH+]=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] COC(=O)c1ccc(cc1)/[NH+]=c1\oc2c(C)ncc(CO)c2cc1C(=O)N[*:1]
COC(=O)c1ccc(/[NH+]=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)cc2F)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1ncc(CO)c2cc(C(=O)Nc3ccc(F)cc3F)c(=[NH+][*:1])oc12
O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)NCc1cscn1 c1nc(cs1)[*:1] O=C(NCc1cccc(c1)NC(=O)[C@@H]1CCCO1)NC[*:1]
O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)NCc1cscn1 O=C(N[*:1])[C@@H]1CCCO1 O=C(NCc1cccc(c1)[*:1])NCc1cscn1
O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)NCc1cscn1 c1nc(cs1)C[*:1] O=C(NCc1cccc(c1)NC(=O)[C@@H]1CCCO1)N[*:1]
O=C(N[C@H](CO)c1ccco1)c1ccc(=O)n(Cc2ccccc2)n1 c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1ccc(=O)n(Cc2ccccc2)n1
O=C(N[C@H](CO)c1ccco1)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(N[C@H](CO)c1ccco1)c1ccc(=O)n(n1)[*:1]
O=C(N[C@H](CO)c1ccco1)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(N[C@H](CO)c1ccco1)c1ccc(=O)n(C[*:1])n1
C=CCn1c(=O)c2ccccc2n2c(S[C@@H]3CCCCC3=O)nnc12 C=CC[*:1] O=C1CCCC[C@H]1Sc1nnc2n(c(=O)c3ccccc3n12)[*:1]
CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1ccccc1[*:1]
CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1ccccc1[N+](=O)[O-] Cc1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)c1ccccc1[N+](=O)[O-]
Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)N[C@H]1CCN(C1=O)[*:1]
O=C(c1cccc([C@H]2CCC[NH2+]C2)c1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(c1cccc(c1)[C@H]1CCC[NH2+]C1)N1CCN(CC1)C[*:1]
O=C(c1cccc([C@H]2CCC[NH2+]C2)c1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] O=C(c1cccc(c1)[C@H]1CCC[NH2+]C1)N1CCN(CC1)[*:1]
CN(C(=O)C[C@@H]1C[NH2+]CCO1)C1(CC(=O)[O-])CCCCC1 O=C([O-])C[*:1] CN(C(=O)C[C@@H]1C[NH2+]CCO1)C1(CCCCC1)[*:1]
CN(C(=O)C[C@@H]1C[NH2+]CCO1)C1(CC(=O)[O-])CCCCC1 O=C([O-])[*:1] CN(C(=O)C[C@@H]1C[NH2+]CCO1)C1(CCCCC1)C[*:1]
CCOC(=O)c1ccsc1NC(=O)c1sc2ncn(C[C@H]3CCCO3)c(=O)c2c1C CCOC(=O)c1ccsc1[*:1] Cc1c(sc2ncn(C[C@H]3CCCO3)c(=O)c12)C(=O)N[*:1]
CCOC(=O)c1ccsc1NC(=O)c1sc2ncn(C[C@H]3CCCO3)c(=O)c2c1C CCOC(=O)[*:1] Cc1c(sc2ncn(C[C@H]3CCCO3)c(=O)c12)C(=O)Nc1sccc1[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)Nc2ncccc2OC(F)F)C1 CCC[*:1] O=C(Nc1ncccc1OC(F)F)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)Nc2ncccc2OC(F)F)C1 FC(F)[*:1] CCCC(=O)N1CCC[C@H](C1)C(=O)Nc1ncccc1O[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)Nc2ncccc2OC(F)F)C1 FC(F)O[*:1] CCCC(=O)N1CCC[C@H](C1)C(=O)Nc1ncccc1[*:1]
CC(C)NC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 c1coc(c1)[*:1] CC(C)NC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1C[*:1]
CC(C)NC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 CC(C)NC(=O)NC(=O)C[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nnc(S[*:1])n1Cc1ccco1
CC(C)NC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 CC(C)NC(=O)NC(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nnc(SC[*:1])n1Cc1ccco1
CC(C)NC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 CC(C)[*:1] C[C@H]1C[C@@H](C)CN(C1)c1nnc(SCC(=O)NC(=O)N[*:1])n1Cc1ccco1
CC(C)NC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 c1coc(c1)C[*:1] CC(C)NC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1[*:1]
CC[C@H](CCO)NC(=O)NCc1cccc(OC)c1 OCC[*:1] CC[C@H](NC(=O)NCc1cccc(c1)OC)[*:1]
CC[C@H](CCO)NC(=O)NCc1cccc(OC)c1 CC[C@H](CCO)[*:1] COc1cccc(c1)CNC(=O)N[*:1]
O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(CSc1n[nH]c(n1)NN=C1CCCCC1)N[*:1]
O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)Nc1ccc(F)c(Cl)c1 C1CCC(CC1)=NN[*:1] O=C(CSc1n[nH]c(n1)[*:1])Nc1ccc(F)c(Cl)c1
Cn1ccc(Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)n1 c1ccc(nc1)[*:1] Cn1ccc(n1)Nc1cc(nc(n1)[*:1])C(F)(F)F
Cn1ccc(Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)n1 Cn1ccc(n1)[*:1] FC(F)(F)c1cc(nc(n1)-c1ccccn1)N[*:1]
Cn1ccc(Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)n1 Cn1ccc(n1)N[*:1] FC(F)(F)c1cc(nc(n1)-c1ccccn1)[*:1]
Cn1ccc(Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)n1 FC(F)(F)[*:1] Cn1ccc(n1)Nc1cc(nc(n1)-c1ccccn1)[*:1]
CC(=O)Nc1cc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C
C=CCNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C C=CCNC(=O)N[*:1] CN(C)c1ccc(cc1[*:1])S(=O)(=O)N(C)C
C=CCNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C CN(C)S(=O)(=O)[*:1] C=CCNC(=O)Nc1cc(ccc1N(C)C)[*:1]
C=CCNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C CN(C)[*:1] C=CCNC(=O)Nc1cc(ccc1[*:1])S(=O)(=O)N(C)C
C=CCNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C C=CC[*:1] CN(C)c1ccc(cc1NC(=O)N[*:1])S(=O)(=O)N(C)C
CNC(=O)NC(=O)[C@H](C)Sc1nnc(Nc2cccc(C)c2)s1 Cc1cccc(c1)[*:1] CNC(=O)NC(=O)[C@H](C)Sc1nnc(N[*:1])s1
CNC(=O)NC(=O)[C@H](C)Sc1nnc(Nc2cccc(C)c2)s1 CNC(=O)NC(=O)[*:1] Cc1cccc(c1)Nc1nnc(S[C@@H](C)[*:1])s1
CCCN[C@H](Cc1cc(Cl)ccc1Cl)c1[nH]cc[nH+]1 CCC[*:1] Clc1ccc(Cl)c(c1)C[C@@H](N[*:1])c1[nH]cc[nH+]1
CCCN[C@H](Cc1cc(Cl)ccc1Cl)c1[nH]cc[nH+]1 CCCN[*:1] Clc1ccc(Cl)c(c1)C[C@H](c1[nH]cc[nH+]1)[*:1]
COc1ccc([C@@H](C)COC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 C1CCN(C1)[*:1] COc1ccc(cc1)[C@@H](C)COC(=O)c1nc(ncc1Cl)[*:1]
COc1ccc([C@@H](C)COC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 COc1ccc(cc1)[*:1] C[C@@H](COC(=O)c1nc(ncc1Cl)N1CCCC1)[*:1]
Cn1c(=O)n(CC(=O)Nc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] Cn1c(=O)n(CC(=O)N[*:1])c2ccccc21
CN(Cc1cc(C#N)cs1)[C@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cc(C#N)cs1)[C@H](CCO)[*:1]
CN(Cc1cc(C#N)cs1)[C@H](CCO)c1ccccc1 OCC[*:1] CN(Cc1cc(C#N)cs1)[C@H](c1ccccc1)[*:1]
CNC(=O)c1cccc(N[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)c1 c1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)N[C@H](C(=O)Nc1cccc(c1)OC)[*:1]
CNC(=O)c1cccc(N[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)c1 COc1cccc(c1)[*:1] CNC(=O)c1cccc(c1)N[C@H](C(=O)N[*:1])c1ccccc1
CNC(=O)c1cccc(N[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)c1 CNC(=O)[*:1] COc1cccc(c1)NC(=O)[C@@H](Nc1cccc(c1)[*:1])c1ccccc1
COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O c1ncc(cn1)[*:1] COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)[*:1])[C@@H](C)[C@@H]2[C@H]1O
COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O O=C(N[*:1])c1cncnc1 COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H]([C@@H](C)[C@@H]2[C@H]1O)[*:1]
COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O COCCNC(=O)[*:1] C[C@@H]1[C@H](CC[C@]2(C)CC[C@H]([C@H](O)[C@@H]12)[C@H](C)[*:1])NC(=O)c1cncnc1
COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O COCCNC(=O)[C@@H](C)[*:1] C[C@@H]1[C@H](CC[C@]2(C)CC[C@H]([C@H](O)[C@@H]12)[*:1])NC(=O)c1cncnc1
COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O COCC[*:1] C[C@H](C(=O)N[*:1])[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O
COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O COC[*:1] C[C@H](C(=O)NC[*:1])[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O
Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)n2N)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1N)[*:1])C(=O)N[C@H](C)c1ccc(F)cc1
Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)n2N)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(S[C@H](C)C(=O)N[C@H](C)[*:1])n1N
Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)n2N)cc1 C[C@H](c1ccc(F)cc1)[*:1] Cc1ccc(cc1)-c1nnc(S[C@H](C)C(=O)N[*:1])n1N
C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)[C@@H]1CCCO1 c1ccc2c(c1)ncn2[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(nc1)[*:1])[C@@H]1CCCO1
CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CCCCC1 C1CCC(CC1)[*:1] CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[*:1]
CCOC(=O)c1c(NC(=O)Cn2ccc(=O)c3cccc(F)c32)sc2c1CCCC2 CCOC(=O)[*:1] O=C(Cn1ccc(=O)c2cccc(F)c21)Nc1sc2CCCCc2c1[*:1]
C[NH2+]CCCc1n[nH]c(NC(=O)c2ccn(C3CCCC3)n2)c1C#N C1CCC(C1)[*:1] C[NH2+]CCCc1n[nH]c(NC(=O)c2ccn(n2)[*:1])c1C#N
CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cn(C)c(C)n1 Fc1ccc(cc1)[*:1] CCN([C@@H](C)[*:1])S(=O)(=O)c1cn(C)c(C)n1
CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cn(C)c(C)n1 Cc1nc(cn1C)[*:1] CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)[*:1]
COc1cc([C@H]2CC(O)=Nc3c(C(=O)[O-])cn(-c4cccc(Cl)c4)c32)ccc1O Clc1cccc(c1)[*:1] COc1cc(ccc1O)[C@H]1CC(O)=Nc2c(cn(c21)[*:1])C(=O)[O-]
COc1cc([C@H]2CC(O)=Nc3c(C(=O)[O-])cn(-c4cccc(Cl)c4)c32)ccc1O COc1cc(ccc1O)[*:1] O=C([O-])c1cn(-c2cccc(Cl)c2)c2c1N=C(O)C[C@@H]2[*:1]
COc1cc([C@H]2CC(O)=Nc3c(C(=O)[O-])cn(-c4cccc(Cl)c4)c32)ccc1O O=C([O-])[*:1] COc1cc(ccc1O)[C@H]1CC(O)=Nc2c(cn(-c3cccc(Cl)c3)c21)[*:1]
O=C(CNC(=O)Nc1cccc(OC(F)F)c1)Nc1ccccc1 FC(F)O[*:1] O=C(CNC(=O)Nc1cccc(c1)[*:1])Nc1ccccc1
O=C(CNC(=O)Nc1cccc(OC(F)F)c1)Nc1ccccc1 FC(F)[*:1] O=C(CNC(=O)Nc1cccc(c1)O[*:1])Nc1ccccc1
O=C(CNC(=O)Nc1cccc(OC(F)F)c1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)Nc1cccc(c1)OC(F)F)N[*:1]
CCc1cc([C@H]([NH3+])C(=O)[O-])cc(CC)c1N O=C([O-])[*:1] CCc1cc(cc(CC)c1N)[C@H]([NH3+])[*:1]
CC1(C)CCSC[C@]1(CO)NCc1cccs1 c1csc(c1)[*:1] CC1(C)CCSC[C@]1(CO)NC[*:1]
O=C(CCc1nc2c(F)cccc2[nH]1)OCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(CCc1nc2c(F)cccc2[nH]1)OC[*:1]
CCOCc1cn(CC(=O)c2ccccc2)c(C)nc1=[NH2+] CCO[*:1] Cc1nc(=[NH2+])c(cn1CC(=O)c1ccccc1)C[*:1]
CCOCc1cn(CC(=O)c2ccccc2)c(C)nc1=[NH2+] c1ccc(cc1)[*:1] CCOCc1cn(CC(=O)[*:1])c(C)nc1=[NH2+]
CCOCc1cn(CC(=O)c2ccccc2)c(C)nc1=[NH2+] CCOC[*:1] Cc1nc(=[NH2+])c(cn1CC(=O)c1ccccc1)[*:1]
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O N#Cc1ccccc1[*:1] COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(o2)[*:1])C1=O
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O COC(=O)[*:1] C[C@@H](N1C(=O)S/C(=C/c2ccc(o2)-c2ccccc2C#N)C1=O)[*:1]
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O COC(=O)[C@@H](C)[*:1] N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(C2=O)[*:1])o1
CC(C)(F)C(=O)NCCc1nnc2n1CCC2 CC(C)(F)[*:1] O=C(NCCc1nnc2CCCn21)[*:1]
N#Cc1ccc(C(F)(F)F)nc1N1CCOC[C@H]1C(=O)[O-] FC(F)(F)[*:1] N#Cc1ccc(nc1N1CCOC[C@H]1C(=O)[O-])[*:1]
N#Cc1ccc(C(F)(F)F)nc1N1CCOC[C@H]1C(=O)[O-] O=C([O-])[*:1] N#Cc1ccc(nc1N1CCOC[C@@H]1[*:1])C(F)(F)F
CC(C)CCNC(=O)COc1ccc2c(c1)OCO2 CC(C)CC[*:1] O=C(COc1ccc2OCOc2c1)N[*:1]
CC(C)CCNC(=O)COc1ccc2c(c1)OCO2 CC(C)[*:1] O=C(COc1ccc2OCOc2c1)NCC[*:1]
CC(C)CCNC(=O)COc1ccc2c(c1)OCO2 CC(C)C[*:1] O=C(COc1ccc2OCOc2c1)NC[*:1]
C[C@H](NC(=O)Cc1cccs1)[C@H](c1cccs1)N1CC[NH+](C)CC1 c1csc(c1)C[*:1] C[C@H](NC(=O)[*:1])[C@H](c1cccs1)N1CC[NH+](C)CC1
C[C@H](NC(=O)Cc1cccs1)[C@H](c1cccs1)N1CC[NH+](C)CC1 c1csc(c1)[*:1] C[C@H](NC(=O)C[*:1])[C@H](c1cccs1)N1CC[NH+](C)CC1
C[C@H](NC(=O)Cc1cccs1)[C@H](c1cccs1)N1CC[NH+](C)CC1 c1csc(c1)[*:1] C[C@H](NC(=O)Cc1cccs1)[C@H](N1CC[NH+](C)CC1)[*:1]
COc1cc(C)sc1C(=O)Nc1cccc(Oc2cnccn2)c1 COc1cc(C)sc1[*:1] O=C(Nc1cccc(c1)Oc1cnccn1)[*:1]
COc1cc(C)sc1C(=O)Nc1cccc(Oc2cnccn2)c1 c1cnc(cn1)[*:1] COc1cc(C)sc1C(=O)Nc1cccc(c1)O[*:1]
COc1cc(C)sc1C(=O)Nc1cccc(Oc2cnccn2)c1 c1cnc(cn1)O[*:1] COc1cc(C)sc1C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(CCCCC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CCCCC(=O)NC1CCN(CC1)C(=O)[*:1]
Cc1ccc(CCCCC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)CC[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)CC[*:1]
Cc1ccc(CCCCC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)CCC[*:1]
Cc1ccc(CCCCC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)CCCC[*:1]
CC(C)C[C@@H]([NH3+])c1nc(-c2cncc(Br)c2)no1 CC(C)C[*:1] [NH3+][C@@H](c1nc(no1)-c1cncc(Br)c1)[*:1]
CC(C)C[C@@H]([NH3+])c1nc(-c2cncc(Br)c2)no1 CC(C)[*:1] [NH3+][C@H](C[*:1])c1nc(no1)-c1cncc(Br)c1
Cc1c(COC(C)C)cccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1 CC(C)[*:1] Cc1c(cccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1)CO[*:1]
Cc1c(COC(C)C)cccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1 CC(C)OC[*:1] Cc1c(cccc1[*:1])NC(=O)C1C[C@H](C)O[C@@H](C)C1
Cc1c(COC(C)C)cccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1 CC(C)O[*:1] Cc1c(cccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1)C[*:1]
CCCC1=C(C(=O)OC)[C@@H](c2ccc(C(=O)OC)cc2)NC(=O)N1C CCC[*:1] COC(=O)C1=C(N(C)C(=O)N[C@@H]1c1ccc(cc1)C(=O)OC)[*:1]
CCCC1=C(C(=O)OC)[C@@H](c2ccc(C(=O)OC)cc2)NC(=O)N1C COC(=O)[*:1] CCCC1=C([C@H](NC(=O)N1C)c1ccc(cc1)C(=O)OC)[*:1]
CCCC1=C(C(=O)OC)[C@@H](c2ccc(C(=O)OC)cc2)NC(=O)N1C COC(=O)[*:1] CCCC1=C(C(=O)OC)[C@H](NC(=O)N1C)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccc(c1)[*:1]
COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1Cl c1cc2CCCc2cc1[*:1] COc1ccc(cc1Cl)NC(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1)N[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ccc(C(F)(F)F)nc3C)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1nc(ccc1C(=O)N1CC=C(CC1)[*:1])C(F)(F)F
CCOc1ccc(C2=CCN(C(=O)c3ccc(C(F)(F)F)nc3C)CC2)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)c1ccc(nc1C)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ccc(C(F)(F)F)nc3C)CC2)cc1 CCO[*:1] Cc1nc(ccc1C(=O)N1CC=C(CC1)c1ccc(cc1)[*:1])C(F)(F)F
Cc1ccc([C@H]2CC[NH2+]C[C@H]2c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)[C@H]1CC[NH2+]C[C@@H]1[*:1]
Cc1ccc([C@H]2CC[NH2+]C[C@H]2c2ccccc2)s1 Cc1ccc(s1)[*:1] c1ccc(cc1)[C@@H]1C[NH2+]CC[C@@H]1[*:1]
CC(C)N1C[C@@H](C(=O)NN2Cc3ccccc3C2)CC1=O CC(C)[*:1] O=C(NN1Cc2ccccc2C1)[C@H]1CC(=O)N(C1)[*:1]
CN(Cc1cnc(C(C)(C)C)s1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C CC(C)(C)[*:1] CN(Cc1cnc(s1)[*:1])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
CC(=O)CCCSc1ncn(-c2ccccc2)n1 CC(=O)[*:1] c1ccc(cc1)-n1cnc(n1)SCCC[*:1]
CC(=O)CCCSc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(=O)CCCSc1ncn(n1)[*:1]
CC(=O)CCCSc1ncn(-c2ccccc2)n1 CC(=O)CCC[*:1] c1ccc(cc1)-n1cnc(n1)S[*:1]
CC(=O)CCCSc1ncn(-c2ccccc2)n1 CC(=O)C[*:1] c1ccc(cc1)-n1cnc(n1)SCC[*:1]
CC(=O)CCCSc1ncn(-c2ccccc2)n1 CC(=O)CC[*:1] c1ccc(cc1)-n1cnc(n1)SC[*:1]
C[C@H](NC(=S)N[C@@H](C)c1ccc2c(c1)CCO2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=S)N[C@@H](C)[*:1])c1ccc2OCCc2c1
COc1cc(C(=O)Nc2cc(N3CCCCC3)ncn2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)Nc2cc(ncn2)N2CCCCC2)c(cc1OC)[*:1]
COc1cc(C(=O)Nc2cc(N3CCCCC3)ncn2)c([N+](=O)[O-])cc1OC C1CCN(CC1)[*:1] COc1cc(C(=O)Nc2cc(ncn2)[*:1])c(cc1OC)[N+](=O)[O-]
C[C@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)c1cccc(Cl)c1 Cn1cnnc1SC[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)[*:1])c1cccc(Cl)c1
C[C@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)CSc1nncn1C)[*:1]
C[C@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)c1cccc(Cl)c1 Cn1cnnc1[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)CS[*:1])c1cccc(Cl)c1
C[C@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)c1cccc(Cl)c1 C[C@H](c1cccc(Cl)c1)[*:1] Cn1cnnc1SCC(=O)Nc1cccc(c1)C(=O)N[*:1]
C[C@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)c1cccc(Cl)c1 Cn1cnnc1S[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)C[*:1])c1cccc(Cl)c1
O=C(CCC(=O)c1ccc(F)cc1)NCc1cccc(C(F)(F)F)c1 Fc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])NCc1cccc(c1)C(F)(F)F
O=C(CCC(=O)c1ccc(F)cc1)NCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CCC(=O)c1ccc(F)cc1)NCc1cccc(c1)[*:1]
CCOc1cc(C(=O)N(C)c2ccccc2)ccc1OC c1ccc(cc1)[*:1] CCOc1cc(ccc1OC)C(=O)N(C)[*:1]
CCOc1cc(C(=O)N(C)c2ccccc2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C(=O)N(C)c1ccccc1
Cc1ccc(CN2C[C@H](C(=O)NC[C@@H]3CCCc4ccccc43)CC2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(NC[C@@H]1CCCc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2C[C@H](C(=O)NC[C@@H]3CCCc4ccccc43)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCc2ccccc21)[C@@H]1CC(=O)N(C1)C[*:1]
CC(=O)Nc1ccc(/C=c2\sc3nnc(-c4cccnc4)n3c2=O)cc1 c1cncc(c1)[*:1] CC(=O)Nc1ccc(/C=c2\sc3nnc(n3c2=O)[*:1])cc1
CC(=O)Nc1ccc(/C=c2\sc3nnc(-c4cccnc4)n3c2=O)cc1 CC(=O)N[*:1] O=c1/c(=C/c2ccc(cc2)[*:1])sc2nnc(-c3cccnc3)n12
Cc1c(C(=O)[O-])sc2ncnc(NCc3cn4c(n3)SCC4)c12 O=C([O-])[*:1] Cc1c(sc2ncnc(NCc3cn4CCSc4n3)c12)[*:1]
COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)ccn3n2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)-c1cc2c(=O)n(ccn2n1)CC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)ccn3n2)cc1OC CC(C)c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1cc2c(=O)n(ccn2n1)CC(=O)N[*:1]
COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)ccn3n2)cc1OC COc1ccc(cc1OC)[*:1] CC(C)c1ccc(cc1)NC(=O)Cn1ccn2nc(cc2c1=O)[*:1]
COc1cccc(C[C@@H](N[C@@H](C)c2cnc(C)s2)C2CC2)c1 Cc1ncc(s1)[*:1] COc1cccc(c1)C[C@@H](N[C@@H](C)[*:1])C1CC1
COc1cccc(C[C@@H](N[C@@H](C)c2cnc(C)s2)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)C[C@@H](N[C@@H](C)c1cnc(C)s1)[*:1]
O=C1CS[C@H](c2cccs2)N1C1CC1 C1CC1[*:1] O=C1CS[C@H](c2cccs2)N1[*:1]
NC(=O)c1ccc(Cn2cc(-c3ccccc3)cn2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)Cn1cc(cn1)[*:1]
NC(=O)c1ccc(Cn2cc(-c3ccccc3)cn2)cc1 NC(=O)[*:1] c1ccc(cc1)-c1cnn(c1)Cc1ccc(cc1)[*:1]
COc1ccccc1-n1c(SCc2c(C)noc2C)nc2ccsc2c1=O COc1ccccc1[*:1] Cc1noc(C)c1CSc1nc2ccsc2c(=O)n1[*:1]
COc1ccccc1-n1c(SCc2c(C)noc2C)nc2ccsc2c1=O Cc1noc(C)c1C[*:1] COc1ccccc1-n1c(nc2ccsc2c1=O)S[*:1]
COc1ccccc1-n1c(SCc2c(C)noc2C)nc2ccsc2c1=O Cc1noc(C)c1[*:1] COc1ccccc1-n1c(nc2ccsc2c1=O)SC[*:1]
COc1ccccc1-n1c(SCc2c(C)noc2C)nc2ccsc2c1=O Cc1noc(C)c1CS[*:1] COc1ccccc1-n1c(nc2ccsc2c1=O)[*:1]
O=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCC1=c2cc(Cl)ccc2=[NH+]C1 C1CCC(CC1)[*:1] O=C(CC1CCN(CC1)C(=O)[*:1])NCCC1C[NH+]=c2ccc(Cl)cc2=1
O=C(c1ccc(F)cc1)N1CCCN(S(=O)(=O)CCC2CC2)CC1 Fc1ccc(cc1)[*:1] O=C(N1CCCN(CC1)S(=O)(=O)CCC1CC1)[*:1]
O=C(c1ccc(F)cc1)N1CCCN(S(=O)(=O)CCC2CC2)CC1 C1CC1CC[*:1] O=C(c1ccc(F)cc1)N1CCCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccc(F)cc1)N1CCCN(S(=O)(=O)CCC2CC2)CC1 C1CC1C[*:1] O=C(c1ccc(F)cc1)N1CCCN(CC1)S(=O)(=O)C[*:1]
O=C(c1ccc(F)cc1)N1CCCN(S(=O)(=O)CCC2CC2)CC1 C1CC1[*:1] O=C(c1ccc(F)cc1)N1CCCN(CC1)S(=O)(=O)CC[*:1]
CCCOc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 CCCO[*:1] O=C1OC(=N/C1=C/c1ccc(cc1)[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
CCCOc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 O=[N+]([O-])[*:1] CCCOc1ccc(/C=C2/N=C(OC2=O)c2cc(ccc2Cl)[*:1])cc1
CCCOc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 CCC[*:1] O=C1OC(=N/C1=C/c1ccc(cc1)O[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
COC(=O)[C@H](C)CNC(=O)Nc1ccc(F)c(Br)c1 COC(=O)[*:1] C[C@H](CNC(=O)Nc1ccc(F)c(Br)c1)[*:1]
COC(=O)[C@H](C)CNC(=O)Nc1ccc(F)c(Br)c1 COC(=O)[C@H](C)[*:1] O=C(NC[*:1])Nc1ccc(F)c(Br)c1
COc1ccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1
CC[C@H](C)[C@H](O)c1ncc(Cl)cc1Cl CC[C@H](C)[*:1] O[C@H](c1ncc(Cl)cc1Cl)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] CN(C)C(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(cc1)C(=O)N(C)C
CCn1cc(C(=O)NCc2ccnc(OC3CCC3)c2)cn1 CCn1cc(cn1)[*:1] O=C(NCc1ccnc(c1)OC1CCC1)[*:1]
CCn1cc(C(=O)NCc2ccnc(OC3CCC3)c2)cn1 C1CC(C1)[*:1] CCn1cc(cn1)C(=O)NCc1ccnc(c1)O[*:1]
CCn1cc(C(=O)NCc2ccnc(OC3CCC3)c2)cn1 C1CC(C1)O[*:1] CCn1cc(cn1)C(=O)NCc1ccnc(c1)[*:1]
CC[C@@H]1CN(C(=O)CCc2cccnc2)CC[C@H]1c1ccccc1 c1cncc(c1)C[*:1] CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)C[*:1]
CC[C@@H]1CN(C(=O)CCc2cccnc2)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@@H]1[*:1])C(=O)CCc1cccnc1
CC[C@@H]1CN(C(=O)CCc2cccnc2)CC[C@H]1c1ccccc1 c1cncc(c1)CC[*:1] CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)[*:1]
CC[C@@H]1CN(C(=O)CCc2cccnc2)CC[C@H]1c1ccccc1 c1cncc(c1)[*:1] CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)CC[*:1]
O=C(CS(=O)(=O)Cc1cccc(OC(F)F)c1)Nc1ccc(F)cc1 FC(F)O[*:1] O=C(CS(=O)(=O)Cc1cccc(c1)[*:1])Nc1ccc(F)cc1
O=C(CS(=O)(=O)Cc1cccc(OC(F)F)c1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CS(=O)(=O)Cc1cccc(c1)OC(F)F)N[*:1]
O=C(CS(=O)(=O)Cc1cccc(OC(F)F)c1)Nc1ccc(F)cc1 FC(F)[*:1] O=C(CS(=O)(=O)Cc1cccc(c1)O[*:1])Nc1ccc(F)cc1
Cc1cc(C)c2nc(NC(=O)C3CCC3)sc2c1 C1CC(C1)[*:1] Cc1cc(C)c2nc(NC(=O)[*:1])sc2c1
C[NH+](Cc1ccccc1N1CCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] NC(=O)[*:1] C[NH+](Cc1ccccc1N1CCCC1)Cc1ccc(cc1[N+](=O)[O-])[*:1]
C[NH+](Cc1ccccc1N1CCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[NH+](Cc1ccccc1N1CCCC1)Cc1ccc(cc1[*:1])C(N)=O
C[NH+](Cc1ccccc1N1CCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] C1CCN(C1)[*:1] C[NH+](Cc1ccc(cc1[N+](=O)[O-])C(N)=O)Cc1ccccc1[*:1]
C[NH2+]Cc1ccccc1O[C@@H](C)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[NH2+]Cc1ccccc1O[C@@H](C)[*:1]
CC(C)NC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)N4CCc5ccccc5C4)c(=O)c3s2)C1 CC(C)NC(=O)[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCC[C@H](C1)[*:1])N1CCc2ccccc2C1
CC(C)NC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)N4CCc5ccccc5C4)c(=O)c3s2)C1 CC(C)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nc2ncn(CC(=O)N3CCc4ccccc4C3)c(=O)c2s1
NC(=O)[C@@H](N[C@@H]1CCc2c(F)ccc(Br)c21)c1ccccc1 NC(=O)[*:1] Fc1ccc(Br)c2c1CC[C@H]2N[C@@H](c1ccccc1)[*:1]
NC(=O)[C@@H](N[C@@H]1CCc2c(F)ccc(Br)c21)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](N[C@@H]1CCc2c(F)ccc(Br)c21)[*:1]
Cc1cc(C)c(NC(=O)CCCn2c(=O)c3cccn3c3cccnc32)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CCCn1c(=O)c2cccn2c2cccnc21)N[*:1]
O[C@]1(C(F)(F)F)[C@@H]2CCCCCC2=NN1c1nc(-c2ccccn2)cs1 FC(F)(F)[*:1] O[C@@]1([C@@H]2CCCCCC2=NN1c1nc(cs1)-c1ccccn1)[*:1]
O[C@]1(C(F)(F)F)[C@@H]2CCCCCC2=NN1c1nc(-c2ccccn2)cs1 c1ccc(nc1)[*:1] O[C@@]1([C@@H]2CCCCCC2=NN1c1nc(cs1)[*:1])C(F)(F)F
COc1ccccc1CN(CCO)C(=O)Nc1ccc(C#N)cc1 OCC[*:1] COc1ccccc1CN(C(=O)Nc1ccc(C#N)cc1)[*:1]
COc1ccccc1CN(CCO)C(=O)Nc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] COc1ccccc1CN(CCO)C(=O)N[*:1]
COc1ccccc1CN(CCO)C(=O)Nc1ccc(C#N)cc1 COc1ccccc1[*:1] N#Cc1ccc(cc1)NC(=O)N(CCO)C[*:1]
O=C([O-])[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 C1CCC(C1)[*:1] O=C([O-])[C@@H]1c2ccccc2C(=O)N(C12CCCCC2)[*:1]
O=C([O-])[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 O=C([O-])[*:1] O=C1c2ccccc2[C@H](C2(CCCCC2)N1C1CCCC1)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)Cn2cnc3c(C)cccc3c2=O)cc1 COc1ccc(cc1)[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N1CCC[C@H]1[*:1]
C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(CCc2ccccc2)ccc1O c1ccc(cc1)C[*:1] C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(ccc1O)C[*:1]
C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(CCc2ccccc2)ccc1O c1ccc(cc1)[*:1] C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(ccc1O)CC[*:1]
C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(CCc2ccccc2)ccc1O c1ccc(cc1)CC[*:1] C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(ccc1O)[*:1]
COC[C@@](C)(C#N)NC(=O)c1cc2ccccc2cc1OC(F)F FC(F)O[*:1] COC[C@@](C)(C#N)NC(=O)c1cc2ccccc2cc1[*:1]
COC[C@@](C)(C#N)NC(=O)c1cc2ccccc2cc1OC(F)F FC(F)[*:1] COC[C@@](C)(C#N)NC(=O)c1cc2ccccc2cc1O[*:1]
COC[C@@](C)(C#N)NC(=O)c1cc2ccccc2cc1OC(F)F COC[*:1] C[C@@](C#N)(NC(=O)c1cc2ccccc2cc1OC(F)F)[*:1]
CC(=O)[C@@H]1C[C@@H](C)CC[C@H]1C(C)C CC(=O)[*:1] CC(C)[C@@H]1CC[C@H](C)C[C@H]1[*:1]
CC(=O)[C@@H]1C[C@@H](C)CC[C@H]1C(C)C CC(C)[*:1] CC(=O)[C@@H]1C[C@@H](C)CC[C@@H]1[*:1]
CCC[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccn1 C1CCN(CC1)[*:1] CCC[C@H]([NH2+]CC1(CCOCC1)[*:1])c1ccccn1
CCC[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccn1 CCC[*:1] c1ccc(nc1)[C@@H]([NH2+]CC1(CCOCC1)N1CCCCC1)[*:1]
CCC[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccn1 c1ccc(nc1)[*:1] CCC[C@H]([NH2+]CC1(CCOCC1)N1CCCCC1)[*:1]
CC[C@H](COC)[NH2+]C[C@H](C)[S@](C)=O C[S@](=O)[*:1] CC[C@H](COC)[NH2+]C[C@H](C)[*:1]
CC[C@H](COC)[NH2+]C[C@H](C)[S@](C)=O COC[*:1] CC[C@H]([NH2+]C[C@H](C)[S@](C)=O)[*:1]
CC(C)(C)[C@@H](c1ccc(O)cc1)c1cccc(F)c1 CC(C)(C)[*:1] Oc1ccc(cc1)[C@@H](c1cccc(F)c1)[*:1]
O=C(c1cnns1)N1CC=C(c2cncc(F)c2)CC1 c1nnsc1[*:1] O=C(N1CC=C(CC1)c1cncc(F)c1)[*:1]
CCC[C@@H]1C[C@@](Nc2cc(C)cc(F)c2)(C(=O)[O-])CCO1 CCC[*:1] Cc1cc(F)cc(c1)N[C@@]1(CCO[C@@H](C1)[*:1])C(=O)[O-]
CCC[C@@H]1C[C@@](Nc2cc(C)cc(F)c2)(C(=O)[O-])CCO1 O=C([O-])[*:1] CCC[C@@H]1C[C@](CCO1)(Nc1cc(C)cc(F)c1)[*:1]
O=C(Cn1c(=O)c2cccn2c2cccnc21)NCc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1c(=O)c2cccn2c2cccnc21)NC[*:1]
O=C(Cn1c(=O)c2cccn2c2cccnc21)NCc1ccccc1F Fc1ccccc1C[*:1] O=C(Cn1c(=O)c2cccn2c2cccnc21)N[*:1]
CC(=O)NCc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 CC(=O)N[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccn1)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 c1ccc(C[*:1])nc1 CC(=O)NCc1ccc(cc1)C(=O)NC1CC[NH+](CC1)[*:1]
CC(=O)NCc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 CC(=O)NC[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccn1)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 c1ccc(nc1)[*:1] CC(=O)NCc1ccc(cc1)C(=O)NC1CC[NH+](CC1)C[*:1]
COC(=O)c1ccc(COC(=O)c2cccc(C)c2)cc1 COC(=O)[*:1] Cc1cccc(c1)C(=O)OCc1ccc(cc1)[*:1]
COC(=O)c1ccc(COC(=O)c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] COC(=O)c1ccc(cc1)COC(=O)[*:1]
COc1ccc(Br)cc1C(=O)NC(=S)Nc1cccnc1Cl Clc1ncccc1[*:1] COc1ccc(Br)cc1C(=O)NC(=S)N[*:1]
COc1cc(-c2noc(Cc3ccc(Cl)nc3)n2)ccn1 Clc1ccc(cn1)[*:1] COc1cc(ccn1)-c1noc(C[*:1])n1
CCC[C@@H](C)C(=O)N[C@H](C(=O)OC)c1ccc(C)cc1 CCC[*:1] COC(=O)[C@@H](NC(=O)[C@H](C)[*:1])c1ccc(C)cc1
CCC[C@@H](C)C(=O)N[C@H](C(=O)OC)c1ccc(C)cc1 COC(=O)[*:1] CCC[C@@H](C)C(=O)N[C@H](c1ccc(C)cc1)[*:1]
CCC[C@@H](C)C(=O)N[C@H](C(=O)OC)c1ccc(C)cc1 CCC[C@@H](C)[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(C)cc1
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC(=O)N(C)C1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)N[C@@H]1CCC(=O)N(C)C1)[*:1]
CCOc1cc([C@@H]([NH3+])C(=O)[O-])ccc1OCc1ccccc1 CCO[*:1] [NH3+][C@@H](C(=O)[O-])c1ccc(OCc2ccccc2)c(c1)[*:1]
CCOc1cc([C@@H]([NH3+])C(=O)[O-])ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] CCOc1cc(ccc1O[*:1])[C@@H]([NH3+])C(=O)[O-]
CCOc1cc([C@@H]([NH3+])C(=O)[O-])ccc1OCc1ccccc1 c1ccc(cc1)[*:1] CCOc1cc(ccc1OC[*:1])[C@@H]([NH3+])C(=O)[O-]
Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 C1CC1[*:1] Cc1ccc(cc1)N(CC(=O)N[*:1])S(=O)(=O)c1c(C)nn(C)c1C
Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 O=C(C[*:1])NC1CC1 Cc1ccc(cc1)N(S(=O)(=O)c1c(C)nn(C)c1C)[*:1]
Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 Cc1nn(C)c(C)c1[*:1] Cc1ccc(cc1)N(CC(=O)NC1CC1)S(=O)(=O)[*:1]
Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)N(C[*:1])S(=O)(=O)c1c(C)nn(C)c1C
Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NC1CC1)[*:1]
COC(=O)c1ccc(=O)n(Cc2ccccc2C)c1 COC(=O)[*:1] Cc1ccccc1Cn1cc(ccc1=O)[*:1]
C[C@H](C1CC1)N(CC(F)(F)F)C(=O)C[C@@H]1C[NH2+]CCO1 FC(F)(F)[*:1] C[C@H](C1CC1)N(C[*:1])C(=O)C[C@@H]1C[NH2+]CCO1
C[C@H](C1CC1)N(CC(F)(F)F)C(=O)C[C@@H]1C[NH2+]CCO1 C1CC1[*:1] C[C@H](N(CC(F)(F)F)C(=O)C[C@@H]1C[NH2+]CCO1)[*:1]
C[C@H](C1CC1)N(CC(F)(F)F)C(=O)C[C@@H]1C[NH2+]CCO1 FC(F)(F)C[*:1] C[C@H](C1CC1)N(C(=O)C[C@@H]1C[NH2+]CCO1)[*:1]
C[C@H](C1CC1)N(CC(F)(F)F)C(=O)C[C@@H]1C[NH2+]CCO1 C[C@H](C1CC1)[*:1] O=C(C[C@@H]1C[NH2+]CCO1)N(CC(F)(F)F)[*:1]
COc1cc(OC)cc([C@@H](O)[C@H]2CC[C@@H](C)C2)c1 C[C@@H]1CC[C@@H](C1)[*:1] COc1cc(cc(c1)[C@@H](O)[*:1])OC
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc2c1 C1CCC(CC1)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1[*:1])N1CCOCC1
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc2c1 C1CN(CCO1)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1C1CCCCC1)[*:1]
CC[NH+]1CCN(c2c(S(=O)(=O)c3ccc(C)c(C)c3)cnc3ccccc23)CC1 Cc1ccc(cc1C)[*:1] CC[NH+]1CCN(CC1)c1c(cnc2ccccc12)S(=O)(=O)[*:1]
Cc1noc(C)c1CNC(=O)N(CC(=O)[O-])CC(C)C O=C([O-])C[*:1] Cc1noc(C)c1CNC(=O)N(CC(C)C)[*:1]
Cc1noc(C)c1CNC(=O)N(CC(=O)[O-])CC(C)C CC(C)C[*:1] Cc1noc(C)c1CNC(=O)N(CC(=O)[O-])[*:1]
Cc1noc(C)c1CNC(=O)N(CC(=O)[O-])CC(C)C O=C([O-])[*:1] Cc1noc(C)c1CNC(=O)N(CC(C)C)C[*:1]
Cc1noc(C)c1CNC(=O)N(CC(=O)[O-])CC(C)C CC(C)[*:1] Cc1noc(C)c1CNC(=O)N(CC(=O)[O-])C[*:1]
CC1CCN(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)CC1 O=C([O-])[*:1] CC1CCN(CC1)S(=O)(=O)N1CCC[C@@H](C1)c1cccc(c1)[*:1]
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2sc3CCCCCc3c2C#N)C1=O)[*:1]
Cc1ccc(-c2nnc(-c3nnn(Cc4ccccc4)c3C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1c(nnn1Cc1ccccc1)-c1nnc(o1)[*:1]
Cc1ccc(-c2nnc(-c3nnn(Cc4ccccc4)c3C)o2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1nnc(o1)-c1nnn(c1C)[*:1]
Cc1ccc(-c2nnc(-c3nnn(Cc4ccccc4)c3C)o2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnc(o1)-c1nnn(C[*:1])c1C
CCNc1ccc(S(=O)(=O)NCc2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CCNc1ccc(cc1)S(=O)(=O)NC[*:1]
CCNc1ccc(S(=O)(=O)NCc2c(C)noc2C)cc1 CCN[*:1] Cc1noc(C)c1CNS(=O)(=O)c1ccc(cc1)[*:1]
CCC(=O)N1CCS[C@]12C(=O)N(Cc1ccc(C)cc1)c1ccc(OC)cc12 Cc1ccc(cc1)[*:1] CCC(=O)N1CCS[C@]12C(=O)N(C[*:1])c1ccc(cc12)OC
CCC(=O)N1CCS[C@]12C(=O)N(Cc1ccc(C)cc1)c1ccc(OC)cc12 Cc1ccc(cc1)C[*:1] CCC(=O)N1CCS[C@]12C(=O)N(c1ccc(cc12)OC)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2c(F)cc(Br)cc2F)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@H]1[*:1])C(=O)c1c(F)cc(Br)cc1F
O=C(/C=C/c1cccs1)N1CCCSC[C@@H]1C[NH+]1CCCCC1 C(=C[*:1])c1cccs1 O=C(N1CCCSC[C@@H]1C[NH+]1CCCCC1)[*:1]
O=C(/C=C/c1cccs1)N1CCCSC[C@@H]1C[NH+]1CCCCC1 c1csc(c1)[*:1] O=C(C=C[*:1])N1CCCSC[C@@H]1C[NH+]1CCCCC1
Cc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)[C@@H]2C=CS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1Cl)N([C@@H]1C=CS(=O)(=O)C1)[*:1]
Cc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)[C@@H]2C=CS(=O)(=O)C2)cc1 Clc1ccc(c(Cl)c1)[*:1] Cc1ccc(cc1)N(C(=O)[*:1])[C@@H]1C=CS(=O)(=O)C1
CC(=O)Nc1c(-c2cc(C)cc(C)c2)nc2cc(C)ccn12 CC(=O)N[*:1] Cc1cc(C)cc(c1)-c1nc2cc(C)ccn2c1[*:1]
Cc1csc([C@H](C#N)C(=O)COCC2CC2)n1 C1CC1CO[*:1] Cc1csc(n1)[C@H](C#N)C(=O)C[*:1]
Cc1csc([C@H](C#N)C(=O)COCC2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](C#N)C(=O)COC[*:1]
Cc1csc([C@H](C#N)C(=O)COCC2CC2)n1 C1CC1C[*:1] Cc1csc(n1)[C@H](C#N)C(=O)CO[*:1]
NC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1Cl c1ccc2sc(nc2c1)[*:1] NC(=O)N[C@@H](CC(=O)N1CCC[C@H]1[*:1])c1ccccc1Cl
NC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1Cl NC(=O)N[*:1] O=C(C[C@@H](c1ccccc1Cl)[*:1])N1CCC[C@@H]1c1nc2ccccc2s1
NC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1Cl Clc1ccccc1[*:1] NC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)[*:1]
CC[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)n1nnc2ccccc2c1=O FC(F)(F)[*:1] CC[C@@H](C(=O)Nc1ccc(cc1)[*:1])n1nnc2ccccc2c1=O
CC(C)c1ocnc1CS(=O)(=O)c1ccc(Cl)cc1 CC(C)[*:1] O=S(=O)(Cc1ncoc1[*:1])c1ccc(Cl)cc1
CN(CCC(N)=S)c1ncnc2c1CCCC2 NC(=S)C[*:1] CN(C[*:1])c1ncnc2CCCCc21
CN(CCC(N)=S)c1ncnc2c1CCCC2 NC(=S)[*:1] CN(CC[*:1])c1ncnc2CCCCc21
CN(CCC(N)=S)c1ncnc2c1CCCC2 NC(=S)CC[*:1] CN(c1ncnc2CCCCc21)[*:1]
Cc1cscc1C(=O)[C@@H]1CCOc2ccccc21 Cc1cscc1[*:1] O=C([C@@H]1CCOc2ccccc21)[*:1]
COc1cc(S(=O)(=O)CCO)cc(C(=O)[O-])c1OC O=S(=O)(CCO)[*:1] COc1cc(cc(C(=O)[O-])c1OC)[*:1]
COc1cc(S(=O)(=O)CCO)cc(C(=O)[O-])c1OC O=C([O-])[*:1] COc1cc(cc(c1OC)[*:1])S(=O)(=O)CCO
COc1cc(S(=O)(=O)CCO)cc(C(=O)[O-])c1OC OCC[*:1] COc1cc(cc(C(=O)[O-])c1OC)S(=O)(=O)[*:1]
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] O=C([C@H]1C[C@@H]1[N+](=O)[O-])N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 Fc1ccccc1C[*:1] O=C([C@H]1C[C@@H]1[N+](=O)[O-])N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] O=C([C@H]1C[C@H]1[*:1])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C([C@H]1C[C@@H]1[N+](=O)[O-])N(Cc1ccccc1F)[*:1]
CCOc1cccc([C@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c1 CCO[*:1] C[C@H]([NH2+]Cc1ccn(n1)C1CCCC1)c1cccc(c1)[*:1]
CCOc1cccc([C@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c1 C1CCC(C1)[*:1] CCOc1cccc(c1)[C@H](C)[NH2+]Cc1ccn(n1)[*:1]
C[C@@H](O)c1ccc(-c2ccc(N(C)C)cc2)cc1 C[C@@H](O)[*:1] CN(C)c1ccc(cc1)-c1ccc(cc1)[*:1]
C[C@@H](O)c1ccc(-c2ccc(N(C)C)cc2)cc1 CN(C)[*:1] C[C@@H](O)c1ccc(cc1)-c1ccc(cc1)[*:1]
O=S1(=O)CC[C@H](Cc2ncnn2C2CCCCC2)C1 C1CCC(CC1)[*:1] O=S1(=O)CC[C@H](Cc2ncnn2[*:1])C1
Cc1cc(C(=O)NNC(=O)c2ccc(C)c(Cl)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1ccc(cc1Cl)C(=O)NNC(=O)[*:1]
Cc1cccc(N2N=C(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)CCC2=O)c1 Cc1cccc(c1)[*:1] O=C(NCc1ccc(s1)S(=O)(=O)N1CCOCC1)C1CCC(=O)N(N=1)[*:1]
Cc1cccc(N2N=C(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)CCC2=O)c1 O=S(=O)(N1CCOCC1)[*:1] Cc1cccc(c1)N1N=C(CCC1=O)C(=O)NCc1ccc(s1)[*:1]
Cc1ccc(C(=O)Cn2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Cn1c(=S)n(-c2ccccc2)c(=O)c2ccccc21)[*:1]
Cc1ccc(C(=O)Cn2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)Cn2c(=S)n(c(=O)c3ccccc32)[*:1])c(C)c1
COc1cc(C(=O)N[C@H](c2ccccc2)c2cccs2)ccc1OC(F)F c1csc(c1)[*:1] COc1cc(ccc1OC(F)F)C(=O)N[C@H](c1ccccc1)[*:1]
COc1cc(C(=O)N[C@H](c2ccccc2)c2cccs2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)N[C@H](c1ccccc1)c1cccs1
COc1cc(C(=O)N[C@H](c2ccccc2)c2cccs2)ccc1OC(F)F c1ccc(cc1)[*:1] COc1cc(ccc1OC(F)F)C(=O)N[C@H](c1cccs1)[*:1]
COc1cc(C(=O)N[C@H](c2ccccc2)c2cccs2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)N[C@H](c1ccccc1)c1cccs1
CCC[C@@]1(CO)CCCN(C(=O)c2coc(CN3CCOCC3)c2)C1 C1CN(CCO1)C[*:1] CCC[C@@]1(CO)CCCN(C1)C(=O)c1coc(c1)[*:1]
CCC[C@@]1(CO)CCCN(C(=O)c2coc(CN3CCOCC3)c2)C1 C1CN(CCO1)[*:1] CCC[C@@]1(CO)CCCN(C1)C(=O)c1coc(c1)C[*:1]
CCC[C@@]1(CO)CCCN(C(=O)c2coc(CN3CCOCC3)c2)C1 CCC[*:1] O=C(c1coc(c1)CN1CCOCC1)N1CCC[C@](CO)(C1)[*:1]
CC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 CC1CCN(CC1)C(=O)[*:1] O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@H]3[*:1])Oc2ccccc21
Cc1nc(CCNC(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)cs1 Cc1nc(cs1)[*:1] O=C(NCC[*:1])NC[C@@H]1C[C@@]12CCc1ccccc12
Cc1nc(CCNC(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)cs1 Cc1nc(cs1)C[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)NC[*:1]
Cc1nc(CCNC(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)cs1 Cc1nc(cs1)CC[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)N[*:1]
Cc1nc2ccc(C(=O)N3CCCC[C@H]3Cn3cccn3)cc2nc1C c1cnn(c1)[*:1] Cc1nc2ccc(cc2nc1C)C(=O)N1CCCC[C@H]1C[*:1]
Cc1nc2ccc(C(=O)N3CCCC[C@H]3Cn3cccn3)cc2nc1C c1cnn(c1)C[*:1] Cc1nc2ccc(cc2nc1C)C(=O)N1CCCC[C@@H]1[*:1]
O=C([O-])/C=C\c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C([O-])/C=C\c1ccc(cc1)[*:1]
O=C([O-])/C=C\c1ccc([N+](=O)[O-])cc1 O=C([O-])[*:1] O=[N+]([O-])c1ccc(C=C[*:1])cc1
Cc1ccc2oc(C(=O)N3CCC(Cc4ncncc4C(=O)NC4CCCC4)CC3)cc2c1 O=C(NC1CCCC1)[*:1] Cc1ccc2oc(cc2c1)C(=O)N1CCC(CC1)Cc1ncncc1[*:1]
Cc1ccc2oc(C(=O)N3CCC(Cc4ncncc4C(=O)NC4CCCC4)CC3)cc2c1 Cc1ccc2oc(cc2c1)[*:1] O=C(NC1CCCC1)c1cncnc1CC1CCN(CC1)C(=O)[*:1]
Cc1ccc2oc(C(=O)N3CCC(Cc4ncncc4C(=O)NC4CCCC4)CC3)cc2c1 C1CCC(C1)[*:1] Cc1ccc2oc(cc2c1)C(=O)N1CCC(CC1)Cc1ncncc1C(=O)N[*:1]
CCN(CC(C)(C)O)c1ccc(C(N)=S)cc1 NC(=S)[*:1] CCN(CC(C)(C)O)c1ccc(cc1)[*:1]
CCN(CC(C)(C)O)c1ccc(C(N)=S)cc1 CC(C)(O)C[*:1] CCN(c1ccc(cc1)C(N)=S)[*:1]
CCN(CC(C)(C)O)c1ccc(C(N)=S)cc1 CC(C)(O)[*:1] CCN(C[*:1])c1ccc(cc1)C(N)=S
Cn1c(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)cc2cc(F)ccc21 C1CC(C1)[*:1] Cn1c(cc2cc(F)ccc21)C(=O)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
Cn1c(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)cc2cc(F)ccc21 C1CC(C1)C[*:1] Cn1c(cc2cc(F)ccc21)C(=O)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
COc1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)cc1F COc1ccc(cc1F)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)Cc1ccccc1
COc1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)cc1F c1ccc(cc1)C[*:1] COc1ccc(cc1F)NC(=O)C(=O)N1CCN(CC1)[*:1]
COc1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)NC(=O)C(=O)N1CCN(CC1)C[*:1]
C=CCn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccccc1 C=CC[*:1] O=C(CSc1nnc(-c2ccccc2)n1[*:1])N1CCNC1=O
C=CCn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccccc1 O=C1NCCN1C(=O)[*:1] C=CCn1c(nnc1-c1ccccc1)SC[*:1]
C=CCn1c(SCC(=O)N2CCNC2=O)nnc1-c1ccccc1 c1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)N1CCNC1=O
Cc1nc(N[C@H]2CCN(c3cnn(C)c3)C2=O)ccc1I Cn1cc(cn1)[*:1] Cc1nc(ccc1I)N[C@H]1CCN(C1=O)[*:1]
CCN1C[C@H](C(=O)NCc2cn(-c3ccccc3)nn2)CC1=O c1ccc(cc1)[*:1] CCN1C[C@@H](CC1=O)C(=O)NCc1cn(nn1)[*:1]
CCC[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CCO1 c1ccc(cc1)[*:1] CCC[C@H]1CN(CCO1)C(=O)C1=NN(C(=O)[C@@H](C)N1)[*:1]
CCC[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CCO1 CCC[*:1] C[C@H]1NC(=NN(C1=O)c1ccccc1)C(=O)N1CCO[C@H](C1)[*:1]
CC(=O)C[C@@H]1CCCCCN1C(=O)CC(C)(C)C CC(C)(C)C[*:1] CC(=O)C[C@@H]1CCCCCN1C(=O)[*:1]
CC(=O)C[C@@H]1CCCCCN1C(=O)CC(C)(C)C CC(=O)C[*:1] CC(C)(C)CC(=O)N1CCCCC[C@H]1[*:1]
CC(=O)C[C@@H]1CCCCCN1C(=O)CC(C)(C)C CC(=O)[*:1] CC(C)(C)CC(=O)N1CCCCC[C@H]1C[*:1]
CC(=O)C[C@@H]1CCCCCN1C(=O)CC(C)(C)C CC(C)(C)[*:1] CC(=O)C[C@@H]1CCCCCN1C(=O)C[*:1]
CC[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1OC(F)F FC(F)[*:1] CC[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1O[*:1]
CC[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1OC(F)F FC(F)O[*:1] CC[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1[*:1]
CC[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1OC(F)F c1cc(c[nH]1)[*:1] CC[C@H]([NH2+]C[*:1])c1ccccc1OC(F)F
Cc1cccc(N2CCN(C(=O)COc3ccc4c(C)c(C)c(=O)oc4c3C)CC2)c1C Cc1cccc(c1C)[*:1] Cc1c(C)c2ccc(OCC(=O)N3CCN(CC3)[*:1])c(C)c2oc1=O
c1ccc2c(c1)Cc1cc(-c3nccn3Cc3nnc4n3CCC4)ccc1-2 C1Cc2nnc(n2C1)[*:1] c1ccc2c(c1)Cc1cc(ccc1-2)-c1nccn1C[*:1]
c1ccc2c(c1)Cc1cc(-c3nccn3Cc3nnc4n3CCC4)ccc1-2 C1Cc2nnc(C[*:1])n2C1 c1ccc2c(c1)Cc1cc(ccc1-2)-c1nccn1[*:1]
CCCN1C(N)=[NH+]C[C@]12CC(C)(C)OC2(C)C CCC[*:1] CC1(C)C[C@]2(C[NH+]=C(N)N2[*:1])C(C)(C)O1
CC[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)[*:1]
Cc1ccc(CN(C)C(=O)c2cc(-c3cnn(C)c3C)[nH]n2)o1 Cc1ccc(o1)[*:1] Cc1c(cnn1C)-c1cc(n[nH]1)C(=O)N(C)C[*:1]
Cc1ccc(CN(C)C(=O)c2cc(-c3cnn(C)c3C)[nH]n2)o1 Cc1c(cnn1C)[*:1] Cc1ccc(CN(C)C(=O)c2cc([nH]n2)[*:1])o1
Cc1ccc(CN(C)C(=O)c2cc(-c3cnn(C)c3C)[nH]n2)o1 Cc1ccc(C[*:1])o1 Cc1c(cnn1C)-c1cc(n[nH]1)C(=O)N(C)[*:1]
CN(CCNC(=O)NCc1ccccn1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCNC(=O)NCc1ccccn1)[*:1]
CN(CCNC(=O)NCc1ccccn1)c1ccccc1 c1ccc(nc1)[*:1] CN(CCNC(=O)NC[*:1])c1ccccc1
CN(CCNC(=O)NCc1ccccn1)c1ccccc1 c1ccc(C[*:1])nc1 CN(CCNC(=O)N[*:1])c1ccccc1
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccccc1Cl CC(C)[*:1] O=C(CSc1ccccc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)[*:1]
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccccc1Cl Clc1ccccc1SC[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[*:1]
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccccc1Cl Clc1ccccc1S[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C[*:1]
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccccc1Cl Clc1ccccc1[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CS[*:1]
CCn1nc(C)c(CNc2ccc(COC(C)(C)C)cc2)c1C CC(C)(C)[*:1] CCn1nc(C)c(CNc2ccc(cc2)CO[*:1])c1C
CCn1nc(C)c(CNc2ccc(COC(C)(C)C)cc2)c1C CC(C)(C)OC[*:1] CCn1nc(C)c(CNc2ccc(cc2)[*:1])c1C
CCn1nc(C)c(CNc2ccc(COC(C)(C)C)cc2)c1C CC(C)(C)O[*:1] CCn1nc(C)c(CNc2ccc(cc2)C[*:1])c1C
Cc1cccc(C)c1NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[nH]1 Cc1cccc(C)c1[*:1] O=C(CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[nH]1)N[*:1]
Cc1cccc(C)c1NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[nH]1 Clc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CSc1nc2c(sc(=S)n2[*:1])c(=O)[nH]1
C[C@H](C(=O)NCCCCn1cnnc1)c1ccsc1 c1nncn1C[*:1] C[C@H](C(=O)NCCC[*:1])c1ccsc1
C[C@H](C(=O)NCCCCn1cnnc1)c1ccsc1 c1nncn1[*:1] C[C@H](C(=O)NCCCC[*:1])c1ccsc1
C[C@H](C(=O)NCCCCn1cnnc1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)NCCCCn1cnnc1)[*:1]
Cc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1Cl c1nncn1[*:1] Cc1ccc(cc1Cl)NC(=O)c1cc(ccc1Br)[*:1]
Cc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CS[C@H]1CC(=O)N(C1=O)[*:1])Nc1ccc(Br)cc1
Cc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](SCC(=O)N[*:1])C1=O
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 c1ccc(cc1)[*:1] Cc1nn(c2NC3CCCC(=O)C=3[C@@H](c3ccc(Cl)cc3)c12)[*:1]
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 Clc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c2NC3CCCC(=O)C=3[C@@H](c12)[*:1]
CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N(C)C)c1 CCc1cccc(c1)[*:1] CN(C)C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)[*:1]
CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCc1cccc(c1)S(=O)(=O)[N-]c1cc(Cl)ccc1[*:1]
COCCOc1ccc(CNC(=O)N2CCC(C)CC2)cn1 COCCO[*:1] CC1CCN(CC1)C(=O)NCc1ccc(nc1)[*:1]
COCCOc1ccc(CNC(=O)N2CCC(C)CC2)cn1 COCC[*:1] CC1CCN(CC1)C(=O)NCc1ccc(nc1)O[*:1]
COCCOc1ccc(CNC(=O)N2CCC(C)CC2)cn1 COC[*:1] CC1CCN(CC1)C(=O)NCc1ccc(nc1)OC[*:1]
CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc3cc[nH]c23)C1 CCC[*:1] C[C@H]1CC[C@@H](CN1C(=O)c1cccc2cc[nH]c12)C(=O)NC[*:1]
CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc3cc[nH]c23)C1 CCCC[*:1] C[C@H]1CC[C@@H](CN1C(=O)c1cccc2cc[nH]c12)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc3cc[nH]c23)C1 CCCCNC(=O)[*:1] C[C@H]1CC[C@@H](CN1C(=O)c1cccc2cc[nH]c12)[*:1]
Fc1cccc(-n2c(SCc3nnc(-c4cc5c(s4)CCCC5)o3)nnc2N2CCOCC2)c1 Fc1cccc(c1)[*:1] c1c(sc2CCCCc12)-c1nnc(CSc2nnc(N3CCOCC3)n2[*:1])o1
Fc1cccc(-n2c(SCc3nnc(-c4cc5c(s4)CCCC5)o3)nnc2N2CCOCC2)c1 c1c(sc2CCCCc12)[*:1] Fc1cccc(c1)-n1c(nnc1N1CCOCC1)SCc1nnc(o1)[*:1]
Fc1cccc(-n2c(SCc3nnc(-c4cc5c(s4)CCCC5)o3)nnc2N2CCOCC2)c1 C1CN(CCO1)[*:1] Fc1cccc(c1)-n1c(nnc1[*:1])SCc1nnc(o1)-c1cc2CCCCc2s1
CC(C)Oc1cccc([C@]2([NH3+])CCCC(C)(C)C2)c1 CC(C)[*:1] CC1(C)CCC[C@]([NH3+])(C1)c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@]2([NH3+])CCCC(C)(C)C2)c1 CC(C)O[*:1] CC1(C)CCC[C@]([NH3+])(C1)c1cccc(c1)[*:1]
Cc1ccccc1[C@@H](NC(=O)Nc1ccccc1CC(N)=O)C(C)(C)C NC(=O)[*:1] Cc1ccccc1[C@@H](NC(=O)Nc1ccccc1C[*:1])C(C)(C)C
Cc1ccccc1[C@@H](NC(=O)Nc1ccccc1CC(N)=O)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@@H](NC(=O)Nc1ccccc1CC(N)=O)[*:1]
Cc1ccccc1[C@@H](NC(=O)Nc1ccccc1CC(N)=O)C(C)(C)C Cc1ccccc1[*:1] CC(C)(C)[C@H](NC(=O)Nc1ccccc1CC(N)=O)[*:1]
Cc1ccccc1[C@@H](NC(=O)Nc1ccccc1CC(N)=O)C(C)(C)C NC(=O)C[*:1] Cc1ccccc1[C@@H](NC(=O)Nc1ccccc1[*:1])C(C)(C)C
CSCC[C@@H](C)NS(=O)(=O)c1ccc(C(C)C)cc1 CSCC[C@@H](C)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N[*:1]
CSCC[C@@H](C)NS(=O)(=O)c1ccc(C(C)C)cc1 CSCC[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N[C@H](C)[*:1]
CSCC[C@@H](C)NS(=O)(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] CSCC[C@@H](C)NS(=O)(=O)c1ccc(cc1)[*:1]
CSCC[C@@H](C)NS(=O)(=O)c1ccc(C(C)C)cc1 CSC[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N[C@H](C)C[*:1]
O=C(N[C@@H](Cc1cc(=O)[nH]c(-c2ccncc2)n1)c1ccc(F)cc1)C1CCCC1 c1cc(ccn1)[*:1] O=C(N[C@@H](Cc1cc(=O)[nH]c(n1)[*:1])c1ccc(F)cc1)C1CCCC1
O=C(N[C@@H](Cc1cc(=O)[nH]c(-c2ccncc2)n1)c1ccc(F)cc1)C1CCCC1 O=C(N[*:1])C1CCCC1 O=c1cc(C[C@@H](c2ccc(F)cc2)[*:1])nc([nH]1)-c1ccncc1
O=C(N[C@@H](Cc1cc(=O)[nH]c(-c2ccncc2)n1)c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] O=C(N[C@@H](Cc1cc(=O)[nH]c(n1)-c1ccncc1)c1ccc(F)cc1)[*:1]
O=C(N[C@@H](Cc1cc(=O)[nH]c(-c2ccncc2)n1)c1ccc(F)cc1)C1CCCC1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](Cc1cc(=O)[nH]c(n1)-c1ccncc1)[*:1])C1CCCC1
O=C(c1ccccc1)N1CCC(c2nc(=O)c3nnn(Cc4cccc(F)c4)c3[nH]2)CC1 c1ccc(cc1)[*:1] O=C(N1CCC(CC1)c1nc(=O)c2nnn(Cc3cccc(F)c3)c2[nH]1)[*:1]
O=C(c1ccccc1)N1CCC(c2nc(=O)c3nnn(Cc4cccc(F)c4)c3[nH]2)CC1 Fc1cccc(c1)[*:1] O=C(c1ccccc1)N1CCC(CC1)c1nc(=O)c2nnn(C[*:1])c2[nH]1
O=C(c1ccccc1)N1CCC(c2nc(=O)c3nnn(Cc4cccc(F)c4)c3[nH]2)CC1 Fc1cccc(c1)C[*:1] O=C(c1ccccc1)N1CCC(CC1)c1nc(=O)c2nnn(c2[nH]1)[*:1]
Cc1ccc([C@H](C)NC(=O)Cc2ccccc2C)cc1C Cc1ccccc1[*:1] Cc1ccc(cc1C)[C@H](C)NC(=O)C[*:1]
Cc1nn(C)c(OCC(C)(C)[NH+](C)C)c1C(=O)[O-] O=C([O-])[*:1] Cc1nn(C)c(OCC(C)(C)[NH+](C)C)c1[*:1]
CC[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)[*:1]
CC[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1ccc(OC)cc1 N#Cc1cccc(c1)[*:1] CC[C@H](NC(=O)N(C)C[*:1])c1ccc(cc1)OC
COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O COc1ccccc1[*:1] C[C@]1(C[*:1])NC(=O)N(CC(=O)Nc2ccc(cc2)N2CCCC2=O)C1=O
COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O COc1ccccc1C[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)N2CCCC2=O)C1=O)[*:1]
COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O O=C1CCCN1[*:1] COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O
Cc1nnc2ccc(N3CC[NH+](Cc4cc(C(F)(F)F)ccc4F)CC3)nn12 FC(F)(F)[*:1] Cc1nnc2ccc(nn12)N1CC[NH+](CC1)Cc1cc(ccc1F)[*:1]
Cc1ccc(NC(=O)CCC(=O)c2cccs2)c(F)c1 c1csc(c1)[*:1] Cc1ccc(NC(=O)CCC(=O)[*:1])c(F)c1
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccc(C(F)(F)F)cc2)C3)c(C)c1 FC(F)(F)c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccc(C(F)(F)F)cc2)C3)c(C)c1 c1ccn(c1)[*:1] Cc1ccc(c(C)c1)-n1nc2CN(Cc2c1[*:1])C(=O)c1ccc(cc1)C(F)(F)F
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccc(C(F)(F)F)cc2)C3)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(c1ccc(cc1)C(F)(F)F)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccc(C(F)(F)F)cc2)C3)c(C)c1 FC(F)(F)[*:1] Cc1ccc(c(C)c1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(OC)ccc4OC)c32)cc1 COC(=O)[*:1] COc1ccc(OC)c(c1)-n1cc(C(=O)[O-])c2NC(=O)C[C@H](c3ccc(cc3)[*:1])c21
COC(=O)c1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(OC)ccc4OC)c32)cc1 O=C([O-])[*:1] COC(=O)c1ccc(cc1)[C@H]1CC(=O)Nc2c(cn(-c3cc(ccc3OC)OC)c21)[*:1]
COC(=O)c1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(OC)ccc4OC)c32)cc1 COC(=O)c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)-n1cc(C(=O)[O-])c2NC(=O)C[C@@H](c21)[*:1]
COC(=O)c1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(OC)ccc4OC)c32)cc1 COc1ccc(OC)c(c1)[*:1] COC(=O)c1ccc(cc1)[C@H]1CC(=O)Nc2c(cn(c21)[*:1])C(=O)[O-]
CS(=O)(=O)NCCC(=O)NCCc1ccc(O)cc1 CS(=O)(=O)N[*:1] O=C(CC[*:1])NCCc1ccc(O)cc1
CS(=O)(=O)NCCC(=O)NCCc1ccc(O)cc1 CS(=O)(=O)NC[*:1] O=C(C[*:1])NCCc1ccc(O)cc1
CC(C)[C@@H](C(=O)NCCNC(=O)C(C)(C)C)c1ccccc1 CC(C)[*:1] CC(C)(C)C(=O)NCCNC(=O)[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](C(=O)NCCNC(=O)C(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)NCCNC(=O)C(C)(C)C)[*:1]
CC(C)[C@@H](C(=O)NCCNC(=O)C(C)(C)C)c1ccccc1 CC(C)(C)C(=O)N[*:1] CC(C)[C@@H](C(=O)NCC[*:1])c1ccccc1
CC(C)[C@@H](C(=O)NCCNC(=O)C(C)(C)C)c1ccccc1 CC(C)(C)[*:1] CC(C)[C@@H](C(=O)NCCNC(=O)[*:1])c1ccccc1
CCCCN1CCN(C(=O)c2ccc(-c3ccsc3)nc2)CC1 c1cc(cs1)[*:1] CCCCN1CCN(CC1)C(=O)c1ccc(nc1)[*:1]
CCCCN1CCN(C(=O)c2ccc(-c3ccsc3)nc2)CC1 CCC[*:1] O=C(c1ccc(nc1)-c1ccsc1)N1CCN(CC1)C[*:1]
CCCCN1CCN(C(=O)c2ccc(-c3ccsc3)nc2)CC1 CCCC[*:1] O=C(c1ccc(nc1)-c1ccsc1)N1CCN(CC1)[*:1]
O=C(NNc1ncccc1Cl)Nc1cccc(NC(=O)C2CC2)c1 Clc1cccnc1[*:1] O=C(NN[*:1])Nc1cccc(c1)NC(=O)C1CC1
O=C(NNc1ncccc1Cl)Nc1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 O=C(NNc1ncccc1Cl)Nc1cccc(c1)[*:1]
O=C(NNc1ncccc1Cl)Nc1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] O=C(NNc1ncccc1Cl)Nc1cccc(c1)NC(=O)[*:1]
CS(=O)(=O)C[C@@H](NC(=O)N1CC[C@H]([N+]2=CCCC2)C1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)C[C@@H](NC(=O)N1CC[C@@H](C1)[N+]1=CCCC1)[*:1]
CS(=O)(=O)C[C@@H](NC(=O)N1CC[C@H]([N+]2=CCCC2)C1)c1ccccc1 CS(=O)(=O)[*:1] O=C(N[C@H](C[*:1])c1ccccc1)N1CC[C@@H](C1)[N+]1=CCCC1
CS(=O)(=O)C[C@@H](NC(=O)N1CC[C@H]([N+]2=CCCC2)C1)c1ccccc1 CS(=O)(=O)C[*:1] O=C(N[C@@H](c1ccccc1)[*:1])N1CC[C@@H](C1)[N+]1=CCCC1
O=C(CSc1cccc[n+]1[O-])N1N=C(c2cccs2)C[C@@H]1c1cccs1 [O-][n+]1ccccc1[*:1] O=C(CS[*:1])N1N=C(C[C@@H]1c1cccs1)c1cccs1
O=C(CSc1cccc[n+]1[O-])N1N=C(c2cccs2)C[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(CSc1cccc[n+]1[O-])N1N=C(C[C@H]1[*:1])c1cccs1
O=C(CSc1cccc[n+]1[O-])N1N=C(c2cccs2)C[C@@H]1c1cccs1 [O-][n+]1ccccc1S[*:1] O=C(C[*:1])N1N=C(C[C@@H]1c1cccs1)c1cccs1
O=C(CSc1cccc[n+]1[O-])N1N=C(c2cccs2)C[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(CSc1cccc[n+]1[O-])N1N=C(C[C@@H]1c1cccs1)[*:1]
CO[C@@H](C)[C@@H](O)Cc1nc(-c2ccccc2)cs1 CO[C@@H](C)[*:1] O[C@@H](Cc1nc(cs1)-c1ccccc1)[*:1]
CO[C@@H](C)[C@@H](O)Cc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] CO[C@@H](C)[C@@H](O)Cc1nc(cs1)[*:1]
CC(C)[NH2+]C[C@@H]1CCCN(c2ccc(C(N)=O)nn2)C1 CC(C)[*:1] NC(=O)c1ccc(nn1)N1CCC[C@@H](C[NH2+][*:1])C1
CC(C)[NH2+]C[C@@H]1CCCN(c2ccc(C(N)=O)nn2)C1 NC(=O)[*:1] CC(C)[NH2+]C[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)N[*:1]
C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)NC[C@@H]1CCCO1 O=C(N[*:1])[C@@H]1CCCO1 C[C@@H](c1nc2ccccc2n1CC(=O)NC[C@@H]1CCCO1)[*:1]
C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)NC[C@@H]1CCCO1
C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)NC[*:1]
C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1CC(=O)NC[C@@H]1CCCO1 O=C(NC[C@@H]1CCCO1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCO1)c1nc2ccccc2n1C[*:1]
COc1cc(Br)c(OC)c(C(=O)NCCC(=O)[O-])c1 O=C([O-])C[*:1] COc1cc(Br)c(OC)c(c1)C(=O)NC[*:1]
COc1cc(Br)c(OC)c(C(=O)NCCC(=O)[O-])c1 O=C([O-])[*:1] COc1cc(Br)c(OC)c(c1)C(=O)NCC[*:1]
COc1cc(Br)c(OC)c(C(=O)NCCC(=O)[O-])c1 O=C([O-])CC[*:1] COc1cc(Br)c(OC)c(c1)C(=O)N[*:1]
Cc1ccc(CC(=O)NCCn2ncc(-c3ccc(F)cc3)c2-c2nccn2C)cc1 Cc1ccc(cc1)[*:1] Cn1ccnc1-c1c(cnn1CCNC(=O)C[*:1])-c1ccc(F)cc1
Cc1ccc(CC(=O)NCCn2ncc(-c3ccc(F)cc3)c2-c2nccn2C)cc1 Cc1ccc(cc1)C[*:1] Cn1ccnc1-c1c(cnn1CCNC(=O)[*:1])-c1ccc(F)cc1
Cc1ccc(CC(=O)NCCn2ncc(-c3ccc(F)cc3)c2-c2nccn2C)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)CC(=O)NCCn1ncc(c1-c1nccn1C)[*:1]
Cc1ccc(CC(=O)NCCn2ncc(-c3ccc(F)cc3)c2-c2nccn2C)cc1 Cn1ccnc1[*:1] Cc1ccc(cc1)CC(=O)NCCn1ncc(-c2ccc(F)cc2)c1[*:1]
Cn1ncnc1CCNC(=O)c1ncoc1-c1cccs1 Cn1ncnc1C[*:1] O=C(NC[*:1])c1ncoc1-c1cccs1
Cn1ncnc1CCNC(=O)c1ncoc1-c1cccs1 Cn1ncnc1[*:1] O=C(NCC[*:1])c1ncoc1-c1cccs1
Cn1ncnc1CCNC(=O)c1ncoc1-c1cccs1 c1csc(c1)[*:1] Cn1ncnc1CCNC(=O)c1ncoc1[*:1]
CC[C@H](NC(=O)N1CC[C@H](C)[C@H](O)C1)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)N1CC[C@H](C)[C@H](O)C1)[C@H]1CN(CCO1)C[*:1]
CC[C@H](NC(=O)N1CC[C@H](C)[C@H](O)C1)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] CC[C@H](NC(=O)N1CC[C@H](C)[C@H](O)C1)[C@H]1CN(CCO1)[*:1]
CCCc1nn(C)c(N)c1-c1cccc(OC)c1 CCC[*:1] COc1cccc(c1)-c1c(nn(C)c1N)[*:1]
Cc1cccc([C@H](C)[S@](=O)CCCN2C(=O)NC(C)(C)C2=O)c1 Cc1cccc(c1)[*:1] C[C@H]([S@](=O)CCCN1C(=O)NC(C)(C)C1=O)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)COc2ccc3nccnc3c2)C1 CC(=O)N[*:1] O=C(COc1ccc2nccnc2c1)N1CCC[C@@H](C1)[*:1]
C[C@H]1CN(C(=O)NCCCOCC2CC2)c2ccccc21 C1CC1COC[*:1] C[C@H]1CN(C(=O)NCC[*:1])c2ccccc21
C[C@H]1CN(C(=O)NCCCOCC2CC2)c2ccccc21 C1CC1CO[*:1] C[C@H]1CN(C(=O)NCCC[*:1])c2ccccc21
C[C@H]1CN(C(=O)NCCCOCC2CC2)c2ccccc21 C1CC1[*:1] C[C@H]1CN(C(=O)NCCCOC[*:1])c2ccccc21
C[C@H]1CN(C(=O)NCCCOCC2CC2)c2ccccc21 C1CC1C[*:1] C[C@H]1CN(C(=O)NCCCO[*:1])c2ccccc21
C[C@H]1CN(C(=O)NCCCOCC2CC2)c2ccccc21 C(C[*:1])OCC1CC1 C[C@H]1CN(C(=O)NC[*:1])c2ccccc21
CCCC(=O)Nc1cccc(CNC(=O)Nc2cc(C)on2)c1 CCC[*:1] Cc1cc(no1)NC(=O)NCc1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)Nc2cc(C)on2)c1 Cc1cc(no1)[*:1] CCCC(=O)Nc1cccc(c1)CNC(=O)N[*:1]
CCCC(=O)Nc1cccc(CNC(=O)Nc2cc(C)on2)c1 CCCC(=O)N[*:1] Cc1cc(no1)NC(=O)NCc1cccc(c1)[*:1]
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)S/C(=C\c2ccc(o2)[*:1])C1=O
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 Cc1cccc(c1)NC(=O)[*:1] O=C1S/C(=C\c2ccc(o2)-c2cccc(c2)[N+](=O)[O-])C(=O)N1C[*:1]
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 Cc1cccc(c1)NC(=O)C[*:1] O=C1S/C(=C\c2ccc(o2)-c2cccc(c2)[N+](=O)[O-])C(=O)N1[*:1]
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 Cc1cccc(c1)[*:1] O=C(CN1C(=O)S/C(=C\c2ccc(o2)-c2cccc(c2)[N+](=O)[O-])C1=O)N[*:1]
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)S/C(=C\c2ccc(o2)-c2cccc(c2)[*:1])C1=O
CCCN1C(SCC(=O)Nc2ccccc2F)=NS(=O)(=O)c2ccccc21 CCC[*:1] O=C(CSC1=NS(=O)(=O)c2ccccc2N1[*:1])Nc1ccccc1F
CCCN1C(SCC(=O)Nc2ccccc2F)=NS(=O)(=O)c2ccccc21 Fc1ccccc1[*:1] CCCN1C(=NS(=O)(=O)c2ccccc21)SCC(=O)N[*:1]
CCOC(=O)C1CC[NH+](Cn2c(=S)ncn2-c2ccccc2)CC1 CCOC(=O)[*:1] S=c1ncn(-c2ccccc2)n1C[NH+]1CCC(CC1)[*:1]
CCOC(=O)C1CC[NH+](Cn2c(=S)ncn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1CC[NH+](CC1)Cn1c(=S)ncn1[*:1]
COc1cccc([C@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2nccn2C)c1 FC(F)[*:1] COc1cccc(c1)[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)[*:1])c1nccn1C
COc1cccc([C@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2nccn2C)c1 COc1cccc(c1)[*:1] Cn1ccnc1[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)C(F)F)[*:1]
COc1cccc([C@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2nccn2C)c1 O=S(=O)(C(F)F)[*:1] COc1cccc(c1)[C@H](NC(=O)c1ccc(cc1)[*:1])c1nccn1C
COc1cccc([C@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)C(F)F)[*:1]
C[C@@H](NC(=O)c1ccc(N2CCCC2)nc1)c1ccc(-c2cccnc2)cc1 C1CCN(C1)[*:1] C[C@@H](NC(=O)c1ccc(nc1)[*:1])c1ccc(cc1)-c1cccnc1
C[C@@H](NC(=O)c1ccc(N2CCCC2)nc1)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)c1ccc(nc1)N1CCCC1)c1ccc(cc1)[*:1]
COc1ccccc1CCNC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] COc1ccccc1CCNC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@H]1[*:1]
COc1ccccc1CCNC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-] COc1ccccc1[*:1] O=C(NCC[*:1])[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-]
FC(F)c1nc(Sc2nc(Cc3cccs3)n[nH]2)c2ccccc2n1 c1csc(c1)[*:1] FC(F)c1nc(Sc2nc(C[*:1])n[nH]2)c2ccccc2n1
FC(F)c1nc(Sc2nc(Cc3cccs3)n[nH]2)c2ccccc2n1 FC(F)[*:1] c1csc(c1)Cc1n[nH]c(n1)Sc1nc(nc2ccccc12)[*:1]
FC(F)c1nc(Sc2nc(Cc3cccs3)n[nH]2)c2ccccc2n1 c1csc(c1)C[*:1] FC(F)c1nc(Sc2nc(n[nH]2)[*:1])c2ccccc2n1
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC1(c2ccccc2)CCCC1 Cc1n[nH]c(C)c1[*:1] C[C@@H](C[*:1])C(=O)NC1(CCCC1)c1ccccc1
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC1(c2ccccc2)CCCC1 Cc1n[nH]c(C)c1C[*:1] C[C@H](C(=O)NC1(CCCC1)c1ccccc1)[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC1(CCCC1)[*:1]
CC[C@H](NC(=O)/C=C(/C)C(C)(C)C)C(=O)N1CCOCC1 CC(=C[*:1])C(C)(C)C CC[C@H](NC(=O)[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)/C=C(/C)C(C)(C)C)C(=O)N1CCOCC1 CC(C)(C)[*:1] CC[C@H](NC(=O)C=C(C)[*:1])C(=O)N1CCOCC1
CSc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2)c(C)n1 Clc1ccc(cc1)[*:1] CSc1nc(C)c(CCC(=O)N[*:1])c(C)n1
CCS[C@@H]1CC[C@]1(O)C[NH2+][C@@H](c1ccc2c(c1)CCO2)C(C)C CC(C)[*:1] CCS[C@@H]1CC[C@]1(O)C[NH2+][C@@H](c1ccc2OCCc2c1)[*:1]
CCS[C@@H]1CC[C@]1(O)C[NH2+][C@@H](c1ccc2c(c1)CCO2)C(C)C CCS[*:1] CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[C@H]1[*:1])c1ccc2OCCc2c1
CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1OCC CCO[*:1] CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1[*:1]
CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1OCC Cc1ccc(cc1)[*:1] CCOc1ccc(/C=N/NC(=O)[*:1])cc1OCC
CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1OCC CCO[*:1] CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1[*:1]
CS(=O)(=O)N1CCc2nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc2C1 Clc1ccc(cc1Cl)[*:1] CS(=O)(=O)N1CCc2nc(NC(=O)N[*:1])sc2C1
COc1ccc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)CCNC(=O)Nc1cccc(c1)[*:1]
Cc1ccc2sc(N3CC[NH+](CCNC(=O)c4ccc(Br)cc4)CC3)nc2c1C Brc1ccc(cc1)[*:1] Cc1ccc2sc(nc2c1C)N1CC[NH+](CCNC(=O)[*:1])CC1
Cc1cc(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2)c[nH]c1=O Clc1ccc(cc1)[*:1] Cc1cc(c[nH]c1=O)NC(=O)N[C@@H](CO)[*:1]
CN(CCCS(C)(=O)=O)C(=O)[C@@]1(C)CC1(Cl)Cl CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)[C@@]1(C)CC1(Cl)Cl
CN(CCCS(C)(=O)=O)C(=O)[C@@]1(C)CC1(Cl)Cl CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)[C@@]1(C)CC1(Cl)Cl
C[C@H]1CN(Cc2ccc(-c3ccncc3)cc2F)[C@H](C)CO1 c1cc(ccn1)[*:1] C[C@H]1CN(Cc2ccc(cc2F)[*:1])[C@H](C)CO1
CNC(=O)Cc1noc(-c2coc3ccccc23)n1 CNC(=O)[*:1] c1ccc2c(coc2c1)-c1nc(C[*:1])no1
CNC(=O)Cc1noc(-c2coc3ccccc23)n1 CNC(=O)C[*:1] c1ccc2c(coc2c1)-c1nc(no1)[*:1]
CCCNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-] CCC[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1ccc(I)cc1
CCCNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-] Ic1ccc(cc1)[*:1] CCCNc1ncnc(N[*:1])c1[N+](=O)[O-]
CCCNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCNc1ncnc(Nc2ccc(I)cc2)c1[*:1]
CCCNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-] CCCN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccc(I)cc1
CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2F)s1 CC(=O)[*:1] C[C@@H](NC(=O)c1ccc(s1)[*:1])c1ccccc1F
Cc1ccc([C@@H](C)NCc2ccnc(OCC(F)F)c2)cc1 FC(F)[*:1] Cc1ccc(cc1)[C@@H](C)NCc1ccnc(c1)OC[*:1]
Cc1ccc([C@@H](C)NCc2ccnc(OCC(F)F)c2)cc1 FC(F)C[*:1] Cc1ccc(cc1)[C@@H](C)NCc1ccnc(c1)O[*:1]
Cc1ccc([C@@H](C)NCc2ccnc(OCC(F)F)c2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NCc1ccnc(c1)OCC(F)F)[*:1]
Cc1ccc([C@@H](C)NCc2ccnc(OCC(F)F)c2)cc1 FC(F)CO[*:1] Cc1ccc(cc1)[C@@H](C)NCc1ccnc(c1)[*:1]
O=C1NC(=O)[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 c1coc(c1)C[*:1] O=C1NC(=O)[C@H](CC(=O)N(C2(CCCCC2)C(=O)NC2CCCCC2)[*:1])N1
O=C1NC(=O)[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 c1coc(c1)[*:1] O=C1NC(=O)[C@H](CC(=O)N(C[*:1])C2(CCCCC2)C(=O)NC2CCCCC2)N1
O=C1NC(=O)[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 O=C(NC1CCCCC1)[*:1] O=C1NC(=O)[C@H](CC(=O)N(Cc2ccco2)C2(CCCCC2)[*:1])N1
O=C1NC(=O)[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 C1CCC(CC1)[*:1] O=C1NC(=O)[C@H](CC(=O)N(Cc2ccco2)C2(CCCCC2)C(=O)N[*:1])N1
COc1ccc(-c2nc(CNN)cs2)cc1 NNC[*:1] COc1ccc(cc1)-c1nc(cs1)[*:1]
Cc1csc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)n1 FC(F)(F)[*:1] Cc1csc(n1)NC(=O)[C@@H](C)n1nc(c(Cl)c1C)[*:1]
Cc1csc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)n1 Cc1csc(n1)[*:1] Cc1c(Cl)c(nn1[C@H](C)C(=O)N[*:1])C(F)(F)F
CCCCOc1cccc(NC(=O)N(C)C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CCCCOc1cccc(c1)NC(=O)N(C)C[*:1]
CCCCOc1cccc(NC(=O)N(C)C[C@@H]2CCCO2)c1 CCCCO[*:1] CN(C[C@@H]1CCCO1)C(=O)Nc1cccc(c1)[*:1]
CCCCOc1cccc(NC(=O)N(C)C[C@@H]2CCCO2)c1 CCC[*:1] CN(C[C@@H]1CCCO1)C(=O)Nc1cccc(c1)OC[*:1]
CCCCOc1cccc(NC(=O)N(C)C[C@@H]2CCCO2)c1 CCCC[*:1] CN(C[C@@H]1CCCO1)C(=O)Nc1cccc(c1)O[*:1]
Cc1cscc1CNCc1nc2ccsc2c(=O)[nH]1 Cc1cscc1[*:1] O=c1[nH]c(CNC[*:1])nc2ccsc12
O=CN1CCc2cc(C(=O)COc3cccc[n+]3[O-])ccc21 [O-][n+]1ccccc1[*:1] O=CN1CCc2cc(ccc21)C(=O)CO[*:1]
O=C1COc2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCCC3)cc2N1 FC(F)(F)[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)Nc1cc(ccc1N1CCCCCC1)[*:1]
O=C1COc2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCCC3)cc2N1 C1CCCN(CC1)[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)Nc1cc(ccc1[*:1])C(F)(F)F
Cn1cccc1[C@@H](CNC(=O)C1CC1)N1CCc2ccccc2C1 O=C(N[*:1])C1CC1 Cn1cccc1[C@@H](C[*:1])N1CCc2ccccc2C1
Cn1cccc1[C@@H](CNC(=O)C1CC1)N1CCc2ccccc2C1 C1CC1[*:1] Cn1cccc1[C@@H](CNC(=O)[*:1])N1CCc2ccccc2C1
Cn1cccc1[C@@H](CNC(=O)C1CC1)N1CCc2ccccc2C1 O=C(NC[*:1])C1CC1 Cn1cccc1[C@@H](N1CCc2ccccc2C1)[*:1]
Cn1cccc1[C@@H](CNC(=O)C1CC1)N1CCc2ccccc2C1 Cn1cccc1[*:1] O=C(NC[C@@H](N1CCc2ccccc2C1)[*:1])C1CC1
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 CC(=O)N[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)[*:1]
COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])NC(C)=O
C[C@H]1CCC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C O=[N+]([O-])[*:1] C[C@H]1CCC[C@@H](NC(=O)COc2cccc(c2)[*:1])[C@@H]1C
C[C@@H](Oc1ccc(F)cc1)C(=O)NCCC[NH+]1CCCCC1 Fc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NCCC[NH+]1CCCCC1
Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)nc1)CCC2 Clc1ccc(cn1)[*:1] Cc1ccc2CCCN(c2c1)S(=O)(=O)[*:1]
CCOc1ccccc1NC(=O)C(=O)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)C(=O)N[C@H](CO)[*:1]
CCOc1ccccc1NC(=O)C(=O)N[C@H](CO)c1ccc(Cl)cc1 CCO[*:1] O=C(Nc1ccccc1[*:1])C(=O)N[C@H](CO)c1ccc(Cl)cc1
C[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 Fc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(=O)CC1CCN(CC1)S(=O)(=O)[*:1]
CC[C@@H](C#N)OC(=O)COc1ccc(C(C)=O)cc1 CC(=O)[*:1] CC[C@@H](C#N)OC(=O)COc1ccc(cc1)[*:1]
CCC[NH2+]CC[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CCC[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](CC[NH2+][*:1])C1
CCC[NH2+]CC[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCC[NH2+]CC[C@H]1CCC[C@@H](C1)[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCO[C@H](C#N)C2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCO[C@H](C#N)C2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCO[C@H](C#N)C2)c1C1CC1 CC[C@@H](C)[*:1] N#C[C@@H]1CN(CCO1)C(=O)c1cnn(c1C1CC1)[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1[C@H]2c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1[C@@H]2[*:1]
Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(CCN2CCOCC2)C1
Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)CNC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)CNC(=O)[C@@H]1CC(=O)N(CC[*:1])C1
Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CCN2CCOCC2)C1
COC(=O)[C@@]1(C(C)C)O[C@]12CCC[C@H](C(C)(C)C)CC2 COC(=O)[*:1] CC(C)[C@]1(O[C@]12CCC[C@@H](CC2)C(C)(C)C)[*:1]
COC(=O)[C@@]1(C(C)C)O[C@]12CCC[C@H](C(C)(C)C)CC2 CC(C)(C)[*:1] COC(=O)[C@]1(O[C@]12CCC[C@H](CC2)[*:1])C(C)C
COC(=O)[C@@]1(C(C)C)O[C@]12CCC[C@H](C(C)(C)C)CC2 CC(C)[*:1] COC(=O)[C@]1(O[C@]12CCC[C@@H](CC2)C(C)(C)C)[*:1]
Cc1n[nH]cc1CNc1ccc(F)c(N2CCCS2(=O)=O)c1 O=S1(=O)CCCN1[*:1] Cc1n[nH]cc1CNc1ccc(F)c(c1)[*:1]
Cc1n[nH]cc1CNc1ccc(F)c(N2CCCS2(=O)=O)c1 Cc1n[nH]cc1C[*:1] O=S1(=O)CCCN1c1cc(ccc1F)N[*:1]
Cc1n[nH]cc1CNc1ccc(F)c(N2CCCS2(=O)=O)c1 Cc1n[nH]cc1[*:1] O=S1(=O)CCCN1c1cc(ccc1F)NC[*:1]
COC(=O)c1sc2ncc(C(C)=O)cc2c1C CC(=O)[*:1] COC(=O)c1sc2ncc(cc2c1C)[*:1]
COC(=O)c1sc2ncc(C(C)=O)cc2c1C COC(=O)[*:1] CC(=O)c1cnc2sc(c(C)c2c1)[*:1]
C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(NN)c2)CCCO1 O=[N+]([O-])[*:1] C[C@@]1(CCCO1)CNC(=O)c1ccc(c(c1)NN)[*:1]
C[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)C2CC2)CC1 c1csc(c1)C[*:1] C[C@@H](C(=O)NC[*:1])N1CCN(CC1)C(=O)C1CC1
C[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)C2CC2)CC1 c1csc(c1)[*:1] C[C@@H](C(=O)NCC[*:1])N1CCN(CC1)C(=O)C1CC1
C[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] C[C@@H](C(=O)NCCc1cccs1)N1CCN(CC1)C(=O)[*:1]
C[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)C2CC2)CC1 c1csc(c1)CC[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)C1CC1
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)C(C)C)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)[*:1])[N+](=O)[O-]
COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)[*:1]
COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 COc1ccc(cc1)[*:1] O=C(c1cccc(F)c1)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1[*:1]
CCn1ccc(C(=O)Nc2nc(-c3cc4ccc(OC)cc4o3)cs2)n1 CCn1ccc(n1)[*:1] COc1ccc2cc(oc2c1)-c1csc(n1)NC(=O)[*:1]
CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(C1)[*:1]
CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 Clc1ccc(cc1)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
O=[N+]([O-])c1ccc(Nc2nccs2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1Nc1nccs1)[*:1]
O=[N+]([O-])c1ccc(Nc2nccs2)c([N+](=O)[O-])c1 c1csc(n1)N[*:1] O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=[N+]([O-])c1ccc(Nc2nccs2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(Nc2nccs2)c(c1)[*:1]
O=[N+]([O-])c1ccc(Nc2nccs2)c([N+](=O)[O-])c1 c1csc(n1)[*:1] O=[N+]([O-])c1ccc(N[*:1])c(c1)[N+](=O)[O-]
Cc1nn(-c2ccccc2)c(C)c1[C@H](C)[NH2+]Cc1cccc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] Cc1nn(-c2ccccc2)c(C)c1[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1[C@H](C)[NH2+]Cc1cccc(-c2nc[nH]n2)c1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1[C@H](C)[NH2+]Cc1cccc(c1)-c1nc[nH]n1)[*:1]
COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1S(=O)(=O)N1CCCC[C@@H]1C C[C@H]1CCCCN1S(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)N[C@@H]1CCSc2ccccc21
CCOC(=O)CCn1c(N)[nH+]c2cc(C)cnc21 CCOC(=O)[*:1] Cc1cnc2c(c1)[nH+]c(N)n2CC[*:1]
CCOC(=O)CCn1c(N)[nH+]c2cc(C)cnc21 CCOC(=O)C[*:1] Cc1cnc2c(c1)[nH+]c(N)n2C[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CC1 C1CC1[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1ccc(F)c(c1)C[NH+](C)C)[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CC1 Cc1ccccc1[*:1] C[NH+](C)Cc1cc(ccc1F)C[NH2+][C@@H](C1CC1)[*:1]
Cc1cccc(C(=O)Oc2ccc(/C=C3\SC(=N)NC3=O)cc2)c1 Cc1cccc(c1)[*:1] N=C1NC(=O)/C(=C/c2ccc(cc2)OC(=O)[*:1])S1
S=C1N=N[C@H](c2ccco2)N1/N=C/C=C/c1ccco1 c1coc(c1)[*:1] S=C1N=N[C@H](N1/N=C/C=C/c1ccco1)[*:1]
S=C1N=N[C@H](c2ccco2)N1/N=C/C=C/c1ccco1 c1coc(c1)[*:1] S=C1N=N[C@H](c2ccco2)N1/N=C/C=C[*:1]
Cc1cnn(CCC(=O)NCC(C)(C)CC(C)C)c1 CC(C)[*:1] Cc1cnn(c1)CCC(=O)NCC(C)(C)C[*:1]
Cc1cnn(CCC(=O)NCC(C)(C)CC(C)C)c1 Cc1cnn(c1)[*:1] CC(C)CC(C)(C)CNC(=O)CC[*:1]
Cc1cnn(CCC(=O)NCC(C)(C)CC(C)C)c1 CC(C)C[*:1] Cc1cnn(c1)CCC(=O)NCC(C)(C)[*:1]
O=C1CCC[C@@H]1CC[S@](=O)c1cccs1 c1csc(c1)[*:1] O=C1CCC[C@@H]1CC[S@](=O)[*:1]
CNc1nc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cs1 CNc1nc(cs1)[*:1] C[NH+](C)Cc1ccc(cc1)[C@@H]1CCCCN1C(=O)[*:1]
CC[C@H](CCO)CNc1ncnc(Cl)c1C OCC[*:1] CC[C@H](CNc1ncnc(Cl)c1C)[*:1]
CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 Fc1ccc(cc1)[*:1] CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(=NN12)[*:1]
Cc1ccc([C@@H]2CSCCN2Cc2cc3cnn(C(C)C)c3nc2Cl)o1 CC(C)[*:1] Cc1ccc(o1)[C@@H]1CSCCN1Cc1cc2cnn(c2nc1Cl)[*:1]
Cc1ccc([C@@H]2CSCCN2Cc2cc3cnn(C(C)C)c3nc2Cl)o1 Cc1ccc(o1)[*:1] CC(C)n1ncc2cc(CN3CCSC[C@H]3[*:1])c(Cl)nc21
COc1cc(C=O)c(Br)cc1OCC(N)=O NC(=O)C[*:1] COc1cc(C=O)c(Br)cc1O[*:1]
COc1cc(C=O)c(Br)cc1OCC(N)=O NC(=O)CO[*:1] COc1cc(C=O)c(Br)cc1[*:1]
COc1cc(C=O)c(Br)cc1OCC(N)=O NC(=O)[*:1] COc1cc(C=O)c(Br)cc1OC[*:1]
CC(C)(CO)NC(=O)Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC(C)(CO)NC(=O)Cc1ccc(cc1)NS(=O)(=O)[*:1]
CC(C)(CO)NC(=O)Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 CC(C)(CO)NC(=O)[*:1] O=S(=O)(Nc1ccc(cc1)C[*:1])c1cccc(Cl)c1
CC(C)(CO)NC(=O)Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 CC(C)(CO)[*:1] O=C(Cc1ccc(cc1)NS(=O)(=O)c1cccc(Cl)c1)N[*:1]
O=C(Cc1cn2ccsc2n1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 c1cnc(cn1)[*:1] O=C(Cc1cn2ccsc2n1)N1C[C@H]2CC[C@@H]1CN(C2)[*:1]
O=C(Cc1cn2ccsc2n1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 c1cn2cc(nc2s1)[*:1] O=C(C[*:1])N1C[C@H]2CC[C@@H]1CN(C2)c1cnccn1
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCCc1ccc(F)cc1 C[S@@](=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)NCCc1ccc(F)cc1
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)NC[*:1]
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)NCC[*:1]
Cc1nc2ccc(NC(=O)C3CCN(C(=O)c4ccccc4C)CC3)cc2s1 Cc1ccccc1[*:1] Cc1nc2ccc(cc2s1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CN1C(=O)c2cc(NC(=O)c3c(F)cccc3Cl)ccc2Oc2ccccc21 Fc1cccc(Cl)c1[*:1] CN1C(=O)c2cc(ccc2Oc2ccccc21)NC(=O)[*:1]
COc1cccc(C(=O)Nc2ccccc2C)c1OC(F)F Cc1ccccc1[*:1] COc1cccc(C(=O)N[*:1])c1OC(F)F
COc1cccc(C(=O)Nc2ccccc2C)c1OC(F)F FC(F)O[*:1] COc1cccc(C(=O)Nc2ccccc2C)c1[*:1]
COc1cccc(C(=O)Nc2ccccc2C)c1OC(F)F FC(F)[*:1] COc1cccc(C(=O)Nc2ccccc2C)c1O[*:1]
Cc1cc(CN2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)no1 Fc1ccc(cc1F)[*:1] Cc1cc(CN2CCN(CC2)C(=O)N[*:1])no1
Cc1cc(CN2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)no1 Cc1cc(no1)[*:1] O=C(Nc1ccc(F)c(F)c1)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)no1 Cc1cc(C[*:1])no1 O=C(Nc1ccc(F)c(F)c1)N1CCN(CC1)[*:1]
COc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1cccc[nH+]1
COCCn1cc(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cn1 c1ccc(cc1)[*:1] COCCn1cc(cn1)Nc1ccc(c(n1)[*:1])[N+](=O)[O-]
COCCn1cc(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cn1 COC[*:1] O=[N+]([O-])c1ccc(nc1-c1ccccc1)Nc1cnn(c1)C[*:1]
COCCn1cc(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cn1 COCC[*:1] O=[N+]([O-])c1ccc(nc1-c1ccccc1)Nc1cnn(c1)[*:1]
COCCn1cc(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cn1 O=[N+]([O-])[*:1] COCCn1cc(cn1)Nc1ccc(c(n1)-c1ccccc1)[*:1]
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)NNC(=O)c1sccc1[*:1]
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)-c1ccsc1C(=O)NNS(=O)(=O)[*:1]
CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C)cn2)[C@@H]1c1ccccc1OC CCC[*:1] COc1ccccc1[C@H]1[C@@H](CCC(=O)N1C[*:1])C(=O)Nc1ccc(C)cn1
CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C)cn2)[C@@H]1c1ccccc1OC CCCC[*:1] COc1ccccc1[C@H]1[C@@H](CCC(=O)N1[*:1])C(=O)Nc1ccc(C)cn1
CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C)cn2)[C@@H]1c1ccccc1OC Cc1ccc(nc1)[*:1] CCCCN1C(=O)CC[C@@H](C(=O)N[*:1])[C@@H]1c1ccccc1OC
CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C)cn2)[C@@H]1c1ccccc1OC COc1ccccc1[*:1] CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C)cn2)[C@H]1[*:1]
CCc1c(C(=O)Nc2cc(C)cc(C)c2)cnn1-c1ccccn1 Cc1cc(C)cc(c1)[*:1] CCc1c(cnn1-c1ccccn1)C(=O)N[*:1]
CCc1c(C(=O)Nc2cc(C)cc(C)c2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] CCc1c(cnn1[*:1])C(=O)Nc1cc(C)cc(C)c1
CC(=O)Nc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 Cc1nc(cs1)[*:1] CC(=O)Nc1ccc(C)cc1NC(=O)C1CC[NH+](CC1)C[*:1]
CC(=O)Nc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 CC(=O)N[*:1] Cc1ccc(c(c1)NC(=O)C1CC[NH+](CC1)Cc1csc(C)n1)[*:1]
O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(NCCNc1ccc(cc1)[N+](=O)[O-])N[*:1]
O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1F O=[N+]([O-])[*:1] O=C(NCCNc1ccc(cc1)[*:1])Nc1cc(F)ccc1F
CC[C@H](O)c1ccn(CCc2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] CC[C@H](O)c1ccn(c1)CCc1ccc(cc1)[*:1]
CC[C@H](O)c1ccn(CCc2ccc([N+](=O)[O-])cc2)c1 CC[C@H](O)[*:1] O=[N+]([O-])c1ccc(cc1)CCn1ccc(c1)[*:1]
O=C(Nc1ccc(F)nc1)C(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(Nc1ccc(F)nc1)C(=O)N1CC=C(CC1)[*:1]
O=C(Nc1ccc(F)nc1)C(=O)N1CC=C(c2ccccc2Cl)CC1 Fc1ccc(cn1)[*:1] O=C(N[*:1])C(=O)N1CC=C(CC1)c1ccccc1Cl
CCc1ccsc1CNC(=O)N[C@H](C)c1cc(C)oc1C CCc1ccsc1[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)NC[*:1]
CCc1ccsc1CNC(=O)N[C@H](C)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] CCc1ccsc1CNC(=O)N[C@H](C)[*:1]
Cc1cnn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)COc3ccccc3)CC2)c1 c1ccc(cc1)O[*:1] Cc1cnn(c1)CC(=O)N1CCC(CC1)[C@H]1CCCCN1C(=O)C[*:1]
Cc1cnn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)COc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cnn(c1)CC(=O)N1CCC(CC1)[C@H]1CCCCN1C(=O)CO[*:1]
Cc1cnn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)COc3ccccc3)CC2)c1 Cc1cnn(c1)C[*:1] O=C(COc1ccccc1)N1CCCC[C@@H]1C1CCN(CC1)C(=O)[*:1]
Cc1cnn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)COc3ccccc3)CC2)c1 Cc1cnn(c1)[*:1] O=C(C[*:1])N1CCC(CC1)[C@H]1CCCCN1C(=O)COc1ccccc1
Cc1cnn(CC(=O)N2CCC([C@H]3CCCCN3C(=O)COc3ccccc3)CC2)c1 c1ccc(cc1)OC[*:1] Cc1cnn(c1)CC(=O)N1CCC(CC1)[C@H]1CCCCN1C(=O)[*:1]
CCc1nnc(NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)s1 O=S(=O)(C(F)F)[*:1] CCc1nnc(NC(=O)c2ccc(cc2)C[*:1])s1
CCc1nnc(NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)s1 O=S(=O)(C[*:1])C(F)F CCc1nnc(NC(=O)c2ccc(cc2)[*:1])s1
CCc1nnc(NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)s1 FC(F)[*:1] CCc1nnc(NC(=O)c2ccc(cc2)CS(=O)(=O)[*:1])s1
CCc1nnc(NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)s1 CCc1nnc(s1)[*:1] O=C(N[*:1])c1ccc(cc1)CS(=O)(=O)C(F)F
Cc1c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C Fc1ccc(cc1)[*:1] Cc1c(cc(-c2nc(cs2)[*:1])n1C)S(=O)(=O)[N-]c1ccc2OCOc2c1
O=C(Nc1ccc([N+](=O)[O-])cn1)c1sc2ccccc2c1Cl O=[N+]([O-])[*:1] O=C(Nc1ccc(cn1)[*:1])c1sc2ccccc2c1Cl
CC[NH2+][C@]1(C(N)=O)CCCCC1(C)C NC(=O)[*:1] CC[NH2+][C@@]1(CCCCC1(C)C)[*:1]
COC(=O)CCC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 COC(=O)[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CCC(CC1)CC[*:1]
COC(=O)CCC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 COC(=O)C[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CCC(CC1)C[*:1]
COC(=O)CCC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 COC(=O)CCC1CCN(CC1)C(=O)Nc1ccnn1[*:1]
COC(=O)CCC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 c1ccc(nc1)[*:1] COC(=O)CCC1CCN(CC1)C(=O)Nc1ccnn1C[*:1]
COC(=O)CCC1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 COC(=O)CC[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CCC(CC1)[*:1]
CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@H](C)CCOC)CC1 Fc1ccc(c(F)c1)[*:1] CC[C@H](N1CCN(CC1)C(=O)N[C@H](C)CCOC)[*:1]
CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@H](C)CCOC)CC1 COC[*:1] CC[C@H](c1ccc(F)cc1F)N1CCN(CC1)C(=O)N[C@H](C)C[*:1]
CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@H](C)CCOC)CC1 COCC[C@@H](C)[*:1] CC[C@H](c1ccc(F)cc1F)N1CCN(CC1)C(=O)N[*:1]
CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)N[C@H](C)CCOC)CC1 COCC[*:1] CC[C@H](c1ccc(F)cc1F)N1CCN(CC1)C(=O)N[C@H](C)[*:1]
O=C([O-])c1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)cc1 O=C([O-])[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])C1=Cc2ccccc2CC1
COCc1nn2c(nnc3c(=O)n(Cc4ccccc4)cnc32)c1-c1ccccc1 c1ccc(cc1)C[*:1] COCc1nn2c(nnc3c(=O)n(cnc32)[*:1])c1-c1ccccc1
COCc1nn2c(nnc3c(=O)n(Cc4ccccc4)cnc32)c1-c1ccccc1 c1ccc(cc1)[*:1] COCc1nn2c(nnc3c(=O)n(cnc32)Cc2ccccc2)c1[*:1]
COCc1nn2c(nnc3c(=O)n(Cc4ccccc4)cnc32)c1-c1ccccc1 COC[*:1] O=c1c2nnc3c(-c4ccccc4)c(nn3c2ncn1Cc1ccccc1)[*:1]
COCc1nn2c(nnc3c(=O)n(Cc4ccccc4)cnc32)c1-c1ccccc1 c1ccc(cc1)[*:1] COCc1nn2c(nnc3c(=O)n(cnc32)C[*:1])c1-c1ccccc1
CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CC[C@@H](C)C2 CCOC(=O)[*:1] CC(C)C(=O)Nc1sc2C[C@H](C)CCc2c1[*:1]
CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CC[C@@H](C)C2 CC(C)C(=O)N[*:1] CCOC(=O)c1c(sc2C[C@H](C)CCc21)[*:1]
CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CC[C@@H](C)C2 CC(C)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2C[C@H](C)CCc21
O=C(NO[C@H]1CCCCO1)[C@@H]1SCCc2sccc21 C1CC[C@@H](OC1)[*:1] O=C(NO[*:1])[C@@H]1SCCc2sccc21
COC(=O)[C@@H](C)Oc1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1 COC(=O)[C@@H](C)O[*:1] O=[N+]([O-])c1ccc2CCN(Cc3ccc(cc3)[*:1])Cc2c1
COC(=O)[C@@H](C)Oc1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1 O=[N+]([O-])[*:1] COC(=O)[C@@H](C)Oc1ccc(cc1)CN1CCc2ccc(cc2C1)[*:1]
COC(=O)[C@@H](C)Oc1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1 COC(=O)[*:1] C[C@@H](Oc1ccc(cc1)CN1CCc2ccc(cc2C1)[N+](=O)[O-])[*:1]
CC(C)(C)c1nnc(SCC(=O)NC2(C#N)CCCCCC2)n1N CC(C)(C)[*:1] N#CC1(CCCCCC1)NC(=O)CSc1nnc(n1N)[*:1]
CCn1cncc1Cn1ccc(-c2cccc(-c3cnccc3C)c2)n1 CCn1cncc1[*:1] Cc1ccncc1-c1cccc(c1)-c1ccn(C[*:1])n1
CCn1cncc1Cn1ccc(-c2cccc(-c3cnccc3C)c2)n1 CCn1cncc1C[*:1] Cc1ccncc1-c1cccc(c1)-c1ccn(n1)[*:1]
CCn1cncc1Cn1ccc(-c2cccc(-c3cnccc3C)c2)n1 Cc1ccncc1[*:1] CCn1cncc1Cn1ccc(n1)-c1cccc(c1)[*:1]
C[C@H](O)CCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 C[C@H](O)[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CC[*:1]
C[C@H](O)CCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 C[C@H](O)C[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[*:1]
C[C@H](O)CCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 C[C@H](O)CC[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[*:1]
COC(=O)[C@]1(C(C)C)O[C@]12CCC[C@H](C(C)(C)C)CC2 COC(=O)[*:1] CC(C)[C@@]1(O[C@]12CCC[C@@H](CC2)C(C)(C)C)[*:1]
COC(=O)[C@]1(C(C)C)O[C@]12CCC[C@H](C(C)(C)C)CC2 CC(C)(C)[*:1] COC(=O)[C@@]1(O[C@]12CCC[C@H](CC2)[*:1])C(C)C
COC(=O)[C@]1(C(C)C)O[C@]12CCC[C@H](C(C)(C)C)CC2 CC(C)[*:1] COC(=O)[C@@]1(O[C@]12CCC[C@@H](CC2)C(C)(C)C)[*:1]
COc1ccc(S(=O)(=O)CCOc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)CCO[*:1]
CCO[C@H]1C[C@H](NC(=O)Nc2nccs2)C12CCCCC2 c1csc(n1)[*:1] CCO[C@H]1C[C@H](NC(=O)N[*:1])C12CCCCC2
CCO[C@H]1C[C@H](NC(=O)Nc2nccs2)C12CCCCC2 CCO[*:1] O=C(Nc1nccs1)N[C@H]1C[C@@H](C12CCCCC2)[*:1]
C[C@@]12CCC(=O)N1[C@H](C(=O)/N=c1/sccn1Cc1ccc(Cl)cc1Cl)CS2 Clc1ccc(C[*:1])c(Cl)c1 C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)/N=c1/sccn1[*:1]
C[C@@]12CCC(=O)N1[C@H](C(=O)/N=c1/sccn1Cc1ccc(Cl)cc1Cl)CS2 Clc1ccc(c(Cl)c1)[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)/N=c1/sccn1C[*:1]
Cc1ccc(C)c(C(=O)NC[C@@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C(=O)NC[C@@H](O)[*:1]
Cc1ccncc1NC(=O)N1CCN(C(=O)OCC(C)C)CC1 Cc1ccncc1[*:1] CC(C)COC(=O)N1CCN(CC1)C(=O)N[*:1]
Cc1ccncc1NC(=O)N1CCN(C(=O)OCC(C)C)CC1 CC(C)[*:1] Cc1ccncc1NC(=O)N1CCN(CC1)C(=O)OC[*:1]
Cc1ccncc1NC(=O)N1CCN(C(=O)OCC(C)C)CC1 CC(C)C[*:1] Cc1ccncc1NC(=O)N1CCN(CC1)C(=O)O[*:1]
O=C([O-])C[NH2+]C1CCC([NH+](Cc2ccccc2)C2CC2)CC1 c1ccc(cc1)C[*:1] O=C([O-])C[NH2+]C1CCC(CC1)[NH+](C1CC1)[*:1]
O=C([O-])C[NH2+]C1CCC([NH+](Cc2ccccc2)C2CC2)CC1 c1ccc(cc1)[*:1] O=C([O-])C[NH2+]C1CCC(CC1)[NH+](C[*:1])C1CC1
O=C([O-])C[NH2+]C1CCC([NH+](Cc2ccccc2)C2CC2)CC1 C1CC1[*:1] O=C([O-])C[NH2+]C1CCC(CC1)[NH+](Cc1ccccc1)[*:1]
O=C([O-])C[NH2+]C1CCC([NH+](Cc2ccccc2)C2CC2)CC1 O=C([O-])[*:1] c1ccc(cc1)C[NH+](C1CCC(CC1)[NH2+]C[*:1])C1CC1
Cc1cccc(N2CC[C@@H](C(=O)Nc3ccc(F)cc3F)C2=O)c1C Cc1cccc(c1C)[*:1] O=C(Nc1ccc(F)cc1F)[C@@H]1CCN(C1=O)[*:1]
Cc1cccc(N2CC[C@@H](C(=O)Nc3ccc(F)cc3F)C2=O)c1C Fc1ccc(c(F)c1)[*:1] Cc1cccc(c1C)N1CC[C@@H](C(=O)N[*:1])C1=O
Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCCN(Cc3ccc(F)cc3)C2=O)c1 Fc1ccc(cc1)C[*:1] Cc1cccc(c1)S(=O)(=O)Nc1ccccc1N1CCCN(C1=O)[*:1]
Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCCN(Cc3ccc(F)cc3)C2=O)c1 Cc1cccc(c1)[*:1] O=C1N(CCCN1c1ccccc1NS(=O)(=O)[*:1])Cc1ccc(F)cc1
Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCCN(Cc3ccc(F)cc3)C2=O)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)Nc1ccccc1N1CCCN(C[*:1])C1=O
Cn1c(C(C)(C)C)nc2cc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)ccc21 CC(C)(C)[*:1] Cn1c(nc2cc(ccc21)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[*:1]
CC(C)NC(=S)N/N=C/C1CCCCC1 CC(C)[*:1] S=C(N/N=C/C1CCCCC1)N[*:1]
CN(C)c1ccc(C(=O)/N=c2\sccn2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C)c1ccc(cc1[*:1])C(=O)/N=c1\sccn1C
CN(C)c1ccc(C(=O)/N=c2\sccn2C)cc1[N+](=O)[O-] CN(C)[*:1] Cn1ccs/c1=N\C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC(C)(C)c1csc(C[C@H](O)c2cccc(Br)c2)n1 CC(C)(C)[*:1] O[C@@H](Cc1nc(cs1)[*:1])c1cccc(Br)c1
Cn1cc(-c2ccnc(/C=C/c3ccc(F)cc3Br)n2)cn1 Cn1cc(cn1)[*:1] Fc1ccc(/C=C/c2nccc(n2)[*:1])c(Br)c1
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc2ccccc2n1Cc1ccccc1F Fc1ccccc1[*:1] O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc2ccccc2n1C[*:1]
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc2ccccc2n1Cc1ccccc1F Fc1ccccc1C[*:1] O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc2ccccc2n1[*:1]
COC(=O)c1cccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 COC(=O)[*:1] Cc1cc(ccc1NC(=O)c1cccc(c1)[*:1])C(=O)N1CCC(C)CC1
COC(=O)c1cccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 CC1CCN(CC1)C(=O)[*:1] COC(=O)c1cccc(c1)C(=O)Nc1ccc(cc1C)[*:1]
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)nc1C c1csc(c1)[*:1] CCOC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(C)cc1
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)nc1C O=C(c1cccs1)[*:1] CCOC(=O)c1sc(nc1C)N1C(=O)C([O-])=C([C@@H]1c1ccc(C)cc1)[*:1]
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)nc1C Cc1ccc(cc1)[*:1] CCOC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2cccs2)[C@H]1[*:1]
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)nc1C CCOC(=O)[*:1] Cc1ccc(cc1)[C@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1c1nc(C)c(s1)[*:1]
Cc1cccc(NC2CC[NH+](Cc3ccsc3)CC2)c1 c1cc(cs1)C[*:1] Cc1cccc(c1)NC1CC[NH+](CC1)[*:1]
Cc1cccc(NC2CC[NH+](Cc3ccsc3)CC2)c1 c1cc(cs1)[*:1] Cc1cccc(c1)NC1CC[NH+](CC1)C[*:1]
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc[nH]2)C1 CCC[*:1] C[C@@H]1CC[C@H](CN1C(=O)Cc1ccc[nH]1)C(=O)NC[*:1]
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc[nH]2)C1 CCCC[*:1] C[C@@H]1CC[C@H](CN1C(=O)Cc1ccc[nH]1)C(=O)N[*:1]
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc[nH]2)C1 c1c[nH]c(c1)[*:1] CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)C[*:1]
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc[nH]2)C1 CCCCNC(=O)[*:1] C[C@@H]1CC[C@H](CN1C(=O)Cc1ccc[nH]1)[*:1]
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc[nH]2)C1 c1c[nH]c(c1)C[*:1] CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)[*:1]
Cc1ccsc1CN(C)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S Cc1ccsc1C[*:1] CN(Cn1nc(-c2ccccc2F)n(c1=S)C1CC1)[*:1]
Cc1ccsc1CN(C)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S C1CC1[*:1] Cc1ccsc1CN(C)Cn1nc(-c2ccccc2F)n(c1=S)[*:1]
Cc1ccsc1CN(C)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S Cc1ccsc1[*:1] CN(Cn1nc(-c2ccccc2F)n(c1=S)C1CC1)C[*:1]
Cc1ccsc1CN(C)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S Fc1ccccc1[*:1] Cc1ccsc1CN(C)Cn1nc(n(c1=S)C1CC1)[*:1]
N#Cc1ccc(N2CCN(C(=O)CN3CCc4ccccc43)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(CN1CCc2ccccc21)N1CCN(CC1)[*:1]
CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1C CN(C)C(=O)[*:1] CC1=C([C@@H](NC(=S)N1C)c1ccc(cc1)[N+](=O)[O-])[*:1]
CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1C O=[N+]([O-])[*:1] CC1=C(C(=O)N(C)C)[C@@H](NC(=S)N1C)c1ccc(cc1)[*:1]
CC[C@@H](/C([O-])=N/S(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](/C([O-])=N/S(=O)(=O)c1ccc2CCCc2c1)[*:1]
C[C@H]1CCCCN1C(=O)C[NH+](CC(=O)N1CCCC[C@@H]1C)Cc1ccco1 c1coc(c1)C[*:1] C[C@H]1CCCCN1C(=O)C[NH+](CC(=O)N1CCCC[C@@H]1C)[*:1]
C[C@H]1CCCCN1C(=O)C[NH+](CC(=O)N1CCCC[C@@H]1C)Cc1ccco1 c1coc(c1)[*:1] C[C@H]1CCCCN1C(=O)C[NH+](CC(=O)N1CCCC[C@@H]1C)C[*:1]
C[C@H]1CCCCN1C(=O)C[NH+](CC(=O)N1CCCC[C@@H]1C)Cc1ccco1 C[C@H]1CCCCN1C(=O)[*:1] C[C@H]1CCCCN1C(=O)C[NH+](Cc1ccco1)C[*:1]
COc1ccc2nc(CC(=O)C(F)(F)F)sc2c1 FC(F)(F)[*:1] COc1ccc2nc(CC(=O)[*:1])sc2c1
COc1ccc2nc(CC(=O)C(F)(F)F)sc2c1 O=C(C(F)(F)F)[*:1] COc1ccc2nc(C[*:1])sc2c1
Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)c(Cl)c1 CN(C)C(=O)[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)N(C)C[*:1]
Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)c(Cl)c1 CN(C)C(=O)C[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)N(C)[*:1]
CC1(C)CCC[C@@H]1NC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 C1CC[C@@H](C[*:1])OC1 CC1(C)CCC[C@@H]1NC(=O)N1CCC(CC1)O[*:1]
CC1(C)CCC[C@@H]1NC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 C1CC[C@H](OC1)[*:1] CC1(C)CCC[C@@H]1NC(=O)N1CCC(CC1)OC[*:1]
CC1(C)CCC[C@@H]1NC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 C1CC[C@@H](CO[*:1])OC1 CC1(C)CCC[C@@H]1NC(=O)N1CCC(CC1)[*:1]
CCc1cc(=O)[nH]c(-c2ccc(N3CCO[C@@H](c4cccc(F)c4)C3)[nH+]c2)n1 Fc1cccc(c1)[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc([nH+]c1)N1CCO[C@@H](C1)[*:1]
CCc1cc(=O)[nH]c(-c2ccc(N3CCO[C@@H](c4cccc(F)c4)C3)[nH+]c2)n1 CCc1cc(=O)[nH]c(n1)[*:1] Fc1cccc(c1)[C@H]1CN(CCO1)c1ccc(c[nH+]1)[*:1]
O=C(Nc1cc(Cl)ccn1)c1nn(-c2ccc(F)cc2)cc1[O-] Fc1ccc(cc1)[*:1] O=C(Nc1cc(Cl)ccn1)c1nn(cc1[O-])[*:1]
O=C(Nc1cc(Cl)ccn1)c1nn(-c2ccc(F)cc2)cc1[O-] Clc1ccnc(c1)[*:1] O=C(N[*:1])c1nn(cc1[O-])-c1ccc(F)cc1
Cc1nnc(SCC(=O)Nc2ccc(F)cc2)o1 Cc1nnc(o1)[*:1] O=C(CS[*:1])Nc1ccc(F)cc1
Cc1cc(C)c(CNc2nccc(C(F)(F)F)n2)c(=O)[nH]1 FC(F)(F)[*:1] Cc1cc(C)c(CNc2nccc(n2)[*:1])c(=O)[nH]1
CC(C)(O)CCNc1ccc(C(F)(F)F)cc1Cl CC(C)(O)CC[*:1] FC(F)(F)c1ccc(N[*:1])c(Cl)c1
CC(C)(O)CCNc1ccc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] CC(C)(O)CCNc1ccc(cc1Cl)[*:1]
CC(C)(O)CCNc1ccc(C(F)(F)F)cc1Cl CC(C)(O)C[*:1] FC(F)(F)c1ccc(NC[*:1])c(Cl)c1
CC(C)(O)CCNc1ccc(C(F)(F)F)cc1Cl CC(C)(O)[*:1] FC(F)(F)c1ccc(NCC[*:1])c(Cl)c1
COCC[C@@H](C)C(=O)Nc1cc(CN2CCOCC2)ccc1C COC[*:1] Cc1ccc(cc1NC(=O)[C@H](C)C[*:1])CN1CCOCC1
COCC[C@@H](C)C(=O)Nc1cc(CN2CCOCC2)ccc1C C1CN(CCO1)C[*:1] COCC[C@@H](C)C(=O)Nc1cc(ccc1C)[*:1]
COCC[C@@H](C)C(=O)Nc1cc(CN2CCOCC2)ccc1C C1CN(CCO1)[*:1] COCC[C@@H](C)C(=O)Nc1cc(ccc1C)C[*:1]
COCC[C@@H](C)C(=O)Nc1cc(CN2CCOCC2)ccc1C COCC[*:1] Cc1ccc(cc1NC(=O)[C@H](C)[*:1])CN1CCOCC1
CCC1(C(=O)NCCc2ccc(C(=O)[O-])cc2)CCCC1 O=C([O-])[*:1] CCC1(CCCC1)C(=O)NCCc1ccc(cc1)[*:1]
CCC1(C(=O)NCCc2ccc(C(=O)[O-])cc2)CCCC1 CCC1(CCCC1)[*:1] O=C([O-])c1ccc(cc1)CCNC(=O)[*:1]
O=C(/C=C/c1cccc(-c2ccccc2)c1)NCC1(O)CCOCC1 OC1(CCOCC1)C[*:1] O=C(/C=C/c1cccc(c1)-c1ccccc1)N[*:1]
O=C(/C=C/c1cccc(-c2ccccc2)c1)NCC1(O)CCOCC1 OC1(CCOCC1)[*:1] O=C(/C=C/c1cccc(c1)-c1ccccc1)NC[*:1]
O=C(/C=C/c1cccc(-c2ccccc2)c1)NCC1(O)CCOCC1 c1ccc(cc1)[*:1] O=C(/C=C/c1cccc(c1)[*:1])NCC1(O)CCOCC1
C[C@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc(F)cc1F Cn1ccnc1SC[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)[*:1])c1ccc(F)cc1F
C[C@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc(F)cc1F Cn1ccnc1S[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)C[*:1])c1ccc(F)cc1F
C[C@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc(F)cc1F Cn1ccnc1[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)CS[*:1])c1ccc(F)cc1F
C[C@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)CSc1nccn1C)[*:1]
C[C@H]1CCCCC[C@H]1NC(=O)c1csc(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] C[C@H]1CCCCC[C@H]1NC(=O)c1csc(c1)[*:1]
C[C@H]1CCCCC[C@H]1NC(=O)c1csc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] C[C@H]1CCCCC[C@H]1NC(=O)c1csc(C=C[*:1])c1
CSc1nsc(NC(=O)c2cccc(-c3n[nH]c(C)n3)c2)n1 CSc1nsc(n1)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)N[*:1]
CSc1nsc(NC(=O)c2cccc(-c3n[nH]c(C)n3)c2)n1 Cc1nc(n[nH]1)[*:1] CSc1nsc(n1)NC(=O)c1cccc(c1)[*:1]
COC(=O)c1ccc(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)cc1 COC(=O)[*:1] Cc1ccc2nc(nc(=O)n2c1)SCC(=O)Nc1ccc(cc1)[*:1]
COCc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1 COC[*:1] C[C@@H](CCc1ccccc1)NC(=O)c1cccc(c1)[*:1]
COCc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1 c1ccc(cc1)C[*:1] COCc1cccc(c1)C(=O)N[C@@H](C)C[*:1]
COCc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1 c1ccc(cc1)[*:1] COCc1cccc(c1)C(=O)N[C@@H](C)CC[*:1]
CC1(C)C[C@H](/[NH+]=C/c2cccs2)CCO1 c1csc(c1)[*:1] CC1(C)C[C@@H](CCO1)[NH+]=C[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCCl C1CN(CCO1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2CCCl)[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCCl ClCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2[*:1]
CCc1ccc(-c2noc(CNC3(c4nc(C)cs4)CCCC3)n2)cc1 CCc1ccc(cc1)[*:1] Cc1csc(n1)C1(CCCC1)NCc1nc(no1)[*:1]
CCc1ccc(-c2noc(CNC3(c4nc(C)cs4)CCCC3)n2)cc1 Cc1csc(n1)[*:1] CCc1ccc(cc1)-c1noc(CNC2(CCCC2)[*:1])n1
CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)C(=O)N[*:1]
CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 CCC(=O)N[*:1] O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)C(=O)NC[*:1]
CC(C)[C@@](C)(C#N)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F CC(C)[*:1] C[C@@](C#N)(NS(=O)(=O)c1cc(ccc1F)S(C)(=O)=O)[*:1]
CC(C)[C@@](C)(C#N)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F CS(=O)(=O)[*:1] CC(C)[C@@](C)(C#N)NS(=O)(=O)c1cc(ccc1F)[*:1]
CCOc1ccc2[nH]c(-c3ccc(C)o3)nc2n1 Cc1ccc(o1)[*:1] CCOc1ccc2[nH]c(nc2n1)[*:1]
CCOc1ccc2[nH]c(-c3ccc(C)o3)nc2n1 CCO[*:1] Cc1ccc(o1)-c1nc2nc(ccc2[nH]1)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1O[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC[*:1]
COC(=O)CSc1nc(O)c2cnn(-c3ccc(OC)cc3)c2n1 COC(=O)[*:1] COc1ccc(cc1)-n1ncc2c(O)nc(nc21)SC[*:1]
COC(=O)CSc1nc(O)c2cnn(-c3ccc(OC)cc3)c2n1 COC(=O)CS[*:1] COc1ccc(cc1)-n1ncc2c(O)nc(nc21)[*:1]
COC(=O)CSc1nc(O)c2cnn(-c3ccc(OC)cc3)c2n1 COC(=O)C[*:1] COc1ccc(cc1)-n1ncc2c(O)nc(nc21)S[*:1]
COC(=O)CSc1nc(O)c2cnn(-c3ccc(OC)cc3)c2n1 COc1ccc(cc1)[*:1] COC(=O)CSc1nc(O)c2cnn(c2n1)[*:1]
COc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)O2)c1 NC(=O)[*:1] COc1cccc(c1)[C@H](C)[NH2+]C[C@H]1CC[C@H](O1)[*:1]
Cc1ccccc1C[NH+]1CCCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] Cc1ccccc1C[NH+]1CCCN(CC1)[*:1]
Cc1ccccc1C[NH+]1CCCN(c2ncccn2)CC1 Cc1ccccc1[*:1] c1cnc(nc1)N1CCC[NH+](CC1)C[*:1]
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1[nH]ncc1Br c1ccc(cc1)[*:1] C[C@H]1CN(CCN1C(=O)c1[nH]ncc1Br)C[*:1]
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1[nH]ncc1Br Brc1cn[nH]c1[*:1] C[C@H]1CN(CCN1C(=O)[*:1])Cc1ccccc1
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1[nH]ncc1Br c1ccc(cc1)C[*:1] C[C@H]1CN(CCN1C(=O)c1[nH]ncc1Br)[*:1]
COCCn1nc(C)c(NC(=O)c2cc3c([nH]c2=O)CCCC3)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)c1cc2CCCCc2[nH]c1=O)[*:1]
COCCn1nc(C)c(NC(=O)c2cc3c([nH]c2=O)CCCC3)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)c1cc2CCCCc2[nH]c1=O
NC(=O)c1csc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c1 NC(=O)[*:1] O=C(c1cc(cs1)[*:1])N(Cc1ccc2OCCc2c1)C1CCCC1
NC(=O)c1csc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c1 C1CCC(C1)[*:1] NC(=O)c1csc(c1)C(=O)N(Cc1ccc2OCCc2c1)[*:1]
NC(=O)c1csc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c1 NC(=O)c1csc(c1)[*:1] O=C(N(Cc1ccc2OCCc2c1)C1CCCC1)[*:1]
CN(C)c1nc(CSCc2cccc(C(N)=O)c2)ns1 NC(=O)[*:1] CN(C)c1nc(CSCc2cccc(c2)[*:1])ns1
CN(C)c1nc(CSCc2cccc(C(N)=O)c2)ns1 CN(C)[*:1] NC(=O)c1cccc(c1)CSCc1nsc(n1)[*:1]
CCSCC[C@H](C)N(C)C(=O)c1ccc(Br)o1 CCS[*:1] C[C@@H](CC[*:1])N(C)C(=O)c1ccc(Br)o1
CCSCC[C@H](C)N(C)C(=O)c1ccc(Br)o1 CCSC[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccc(Br)o1
CCSCC[C@H](C)N(C)C(=O)c1ccc(Br)o1 CCSCC[*:1] C[C@H](N(C)C(=O)c1ccc(Br)o1)[*:1]
CC[C@H](NC(=O)NC[C@H]1CN(CC(C)C)CCO1)c1ccncc1 CC(C)C[*:1] CC[C@H](NC(=O)NC[C@H]1CN(CCO1)[*:1])c1ccncc1
CC[C@H](NC(=O)NC[C@H]1CN(CC(C)C)CCO1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)NC[C@H]1CN(CCO1)CC(C)C)[*:1]
CC[C@H](NC(=O)NC[C@H]1CN(CC(C)C)CCO1)c1ccncc1 CC(C)[*:1] CC[C@H](NC(=O)NC[C@H]1CN(CCO1)C[*:1])c1ccncc1
COCCC(=O)N(C)[C@H](C)Cc1ccccc1OC COC[*:1] COc1ccccc1C[C@@H](C)N(C)C(=O)C[*:1]
COCCC(=O)N(C)[C@H](C)Cc1ccccc1OC COCC[*:1] COc1ccccc1C[C@@H](C)N(C)C(=O)[*:1]
CC[NH+]1CCN(c2ccc(N3CCC[C@H](C(=O)NCc4ccccc4)C3)nn2)CC1 O=C(NCc1ccccc1)[*:1] CC[NH+]1CCN(CC1)c1ccc(nn1)N1CCC[C@H](C1)[*:1]
CC[NH+]1CCN(c2ccc(N3CCC[C@H](C(=O)NCc4ccccc4)C3)nn2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)c1ccc(nn1)N1CCC[C@@H](C1)C(=O)NC[*:1]
CC[NH+]1CCN(c2ccc(N3CCC[C@H](C(=O)NCc4ccccc4)C3)nn2)CC1 c1ccc(cc1)C[*:1] CC[NH+]1CCN(CC1)c1ccc(nn1)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccccc1CC(C)(C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 Cc1ccccc1[*:1] CC(C)(C[*:1])NC(=O)Cc1ccc(cc1)NC(=O)C1CC1
Cc1ccccc1CC(C)(C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] Cc1ccccc1CC(C)(C)NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
Cc1ccccc1CC(C)(C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 Cc1ccccc1C[*:1] CC(C)(NC(=O)Cc1ccc(cc1)NC(=O)C1CC1)[*:1]
Cc1ccccc1CC(C)(C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 Cc1ccccc1CC(C)(C)NC(=O)Cc1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2cccs2)cc1 c1csc(c1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N[C@H](C)C(=O)NC[*:1]
CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2cccs2)cc1 CC(=O)[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])C(=O)NCc1cccs1
CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2cccs2)cc1 c1csc(c1)C[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N[C@H](C)C(=O)N[*:1]
CCN(CCC(=O)OC)C(=O)c1cc(-c2ccc(C)cc2)no1 COC(=O)C[*:1] CCN(C[*:1])C(=O)c1cc(no1)-c1ccc(C)cc1
CCN(CCC(=O)OC)C(=O)c1cc(-c2ccc(C)cc2)no1 Cc1ccc(cc1)[*:1] CCN(CCC(=O)OC)C(=O)c1cc(no1)[*:1]
CCN(CCC(=O)OC)C(=O)c1cc(-c2ccc(C)cc2)no1 COC(=O)CC[*:1] CCN(C(=O)c1cc(no1)-c1ccc(C)cc1)[*:1]
CCN(CCC(=O)OC)C(=O)c1cc(-c2ccc(C)cc2)no1 COC(=O)[*:1] CCN(CC[*:1])C(=O)c1cc(no1)-c1ccc(C)cc1
COC(=O)c1cc(O)n(-c2cc(Cl)cc(Cl)c2)n1 COC(=O)[*:1] Oc1cc(nn1-c1cc(Cl)cc(Cl)c1)[*:1]
CCc1ccc(OC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)OC(=O)CCn1cc(nc1C)[*:1]
Cc1ccc2c(c1)=C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]=2 C1CO[C@H](C1)C[*:1] Cc1ccc2=[NH+][C@@H](C=c2c1)C(=O)N[*:1]
Cc1ccc2c(c1)=C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]=2 C1CO[C@H](C1)[*:1] Cc1ccc2=[NH+][C@@H](C=c2c1)C(=O)NC[*:1]
CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1F CC[C@H](C)NC(=O)[*:1] O=S(=O)(c1ccc(F)cc1F)N1CSC[C@@H]1[*:1]
CC[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1F CC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1F
C[C@@H](OC(=O)CCn1ccccc1=O)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@@H](OC(=O)CCn1ccccc1=O)[*:1]
Cn1ccnc1-c1cc2nc3c(c(NC[C@@H](O)CN4CCOCC4)n2n1)CCCC3 C1CN(CCO1)[*:1] Cn1ccnc1-c1cc2nc3CCCCc3c(NC[C@@H](O)C[*:1])n2n1
Cn1ccnc1-c1cc2nc3c(c(NC[C@@H](O)CN4CCOCC4)n2n1)CCCC3 C1CN(CCO1)C[*:1] Cn1ccnc1-c1cc2nc3CCCCc3c(NC[C@@H](O)[*:1])n2n1
Cn1ccnc1-c1cc2nc3c(c(NC[C@@H](O)CN4CCOCC4)n2n1)CCCC3 Cn1ccnc1[*:1] O[C@H](CNc1c2CCCCc2nc2cc(nn12)[*:1])CN1CCOCC1
C/[NH+]=C(/NCCNC(=O)Cc1cccc(F)c1)N1CCC[C@H](C)C1 Fc1cccc(c1)[*:1] C/[NH+]=C(/NCCNC(=O)C[*:1])N1CCC[C@H](C)C1
C/[NH+]=C(/NCCNC(=O)Cc1cccc(F)c1)N1CCC[C@H](C)C1 Fc1cccc(c1)C[*:1] C/[NH+]=C(/NCCNC(=O)[*:1])N1CCC[C@H](C)C1
CCOc1cccc2sc(N(Cc3ccccn3)C(=O)C3CCC3)nc12 CCO[*:1] O=C(C1CCC1)N(Cc1ccccn1)c1nc2c(cccc2s1)[*:1]
CCOc1cccc2sc(N(Cc3ccccn3)C(=O)C3CCC3)nc12 c1ccc(nc1)[*:1] CCOc1cccc2sc(nc12)N(C[*:1])C(=O)C1CCC1
CCOc1cccc2sc(N(Cc3ccccn3)C(=O)C3CCC3)nc12 c1ccc(C[*:1])nc1 CCOc1cccc2sc(nc12)N(C(=O)C1CCC1)[*:1]
CCOc1cccc2sc(N(Cc3ccccn3)C(=O)C3CCC3)nc12 C1CC(C1)[*:1] CCOc1cccc2sc(nc12)N(Cc1ccccn1)C(=O)[*:1]
Cc1cc(COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)no1 Cc1cc(no1)[*:1] O=C(OC[*:1])C1C=CC2=NS(=O)(=O)CCN2C=1
Cc1cc(COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)no1 Cc1cc(C[*:1])no1 O=C(O[*:1])C1C=CC2=NS(=O)(=O)CCN2C=1
Cc1ccc(/C=N/N2C(=S)[NH+]=N[C@H]2c2ccc(C(C)(C)C)cc2)o1 Cc1ccc(o1)[*:1] CC(C)(C)c1ccc(cc1)[C@@H]1N=[NH+]C(=S)N1N=C[*:1]
Cc1ccc(/C=N/N2C(=S)[NH+]=N[C@H]2c2ccc(C(C)(C)C)cc2)o1 CC(C)(C)[*:1] Cc1ccc(/C=N/N2C(=S)[NH+]=N[C@H]2c2ccc(cc2)[*:1])o1
C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cc(Br)ccc1OC C=CCOC(=O)[*:1] COc1ccc(Br)cc1[C@H]1C(=C(C)N=C2S[C@@H](C)C(=O)N21)[*:1]
C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cc(Br)ccc1OC C=CC[*:1] COc1ccc(Br)cc1[C@H]1C(C(=O)O[*:1])=C(C)N=C2S[C@@H](C)C(=O)N21
C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cc(Br)ccc1OC COc1ccc(Br)cc1[*:1] C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1[*:1]
CN(C)[n+]1cc(NC(=O)CSC2=N/C(=C/c3ccco3)C(=O)N2c2ccccc2)on1 c1ccc(cc1)[*:1] CN(C)[n+]1cc(NC(=O)CSC2=N/C(=C/c3ccco3)C(=O)N2[*:1])on1
CN(C)[n+]1cc(NC(=O)CSC2=N/C(=C/c3ccco3)C(=O)N2c2ccccc2)on1 c1coc(c1)[*:1] CN(C)[n+]1cc(NC(=O)CSC2=NC(=C[*:1])C(=O)N2c2ccccc2)on1
Fc1cccc(CSc2nnc(-c3ccncc3)n2C2CC2)c1Cl Fc1cccc(c1Cl)[*:1] c1cc(ccn1)-c1nnc(SC[*:1])n1C1CC1
Fc1cccc(CSc2nnc(-c3ccncc3)n2C2CC2)c1Cl c1cc(ccn1)[*:1] Fc1cccc(CSc2nnc(n2C2CC2)[*:1])c1Cl
Fc1cccc(CSc2nnc(-c3ccncc3)n2C2CC2)c1Cl C1CC1[*:1] Fc1cccc(CSc2nnc(-c3ccncc3)n2[*:1])c1Cl
CCCCn1c(N2CCN(Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C Fc1cccc(Cl)c1C[*:1] CCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)[*:1]
CCCCn1c(N2CCN(Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C Fc1cccc(Cl)c1[*:1] CCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)C[*:1]
CCCCn1c(N2CCN(Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C CCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)Cc1c(F)cccc1Cl)n2C[*:1]
CCCCn1c(N2CCN(Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C CCCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CC1)Cc1c(F)cccc1Cl)n2[*:1]
O=S(=O)(NCc1ccccc1Br)c1cccc2nonc12 Brc1ccccc1[*:1] O=S(=O)(NC[*:1])c1cccc2nonc12
C#CC[C@H]([NH2+]CCC)[C@H](C)OC CCC[*:1] C#CC[C@H]([NH2+][*:1])[C@H](C)OC
C#CC[C@H]([NH2+]CCC)[C@H](C)OC C#CC[*:1] CCC[NH2+][C@H]([C@H](C)OC)[*:1]
C#CC[C@H]([NH2+]CCC)[C@H](C)OC CO[C@@H](C)[*:1] C#CC[C@H]([NH2+]CCC)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)N[C@@H](C)c1cccc(c1)OCc1ccccn1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(C[*:1])nc1 Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1cccc(c1)O[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(CO[*:1])nc1 Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1cccc(c1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(nc1)[*:1] Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1cccc(c1)OC[*:1]
CC(=O)c1cccc(NC(=O)C2=C(C)[C@@H](S(=O)(=O)N3CCCCC3)C(C)=N2)c1 CC(=O)c1cccc(c1)[*:1] CC1=NC(C(=O)N[*:1])=C(C)[C@H]1S(=O)(=O)N1CCCCC1
CC(=O)c1cccc(NC(=O)C2=C(C)[C@@H](S(=O)(=O)N3CCCCC3)C(C)=N2)c1 CC(=O)[*:1] CC1=NC(C(=O)Nc2cccc(c2)[*:1])=C(C)[C@H]1S(=O)(=O)N1CCCCC1
CC(=O)c1cccc(NC(=O)C2=C(C)[C@@H](S(=O)(=O)N3CCCCC3)C(C)=N2)c1 O=S(=O)(N1CCCCC1)[*:1] CC(=O)c1cccc(c1)NC(=O)C1N=C(C)[C@H](C=1C)[*:1]
CC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)N[C@@H]1C[C@@H]1[*:1]
CC(=O)Nc1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1C[C@H]1c1cccc(Cl)c1
Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(C(C)(C)C)cc1)CS(=O)(=O)C2 CC(C)(C)[*:1] Cc1ccccc1-n1nc2CS(=O)(=O)Cc2c1NC(=O)c1ccc(cc1)[*:1]
Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(C(C)(C)C)cc1)CS(=O)(=O)C2 CC(C)(C)c1ccc(cc1)[*:1] Cc1ccccc1-n1nc2CS(=O)(=O)Cc2c1NC(=O)[*:1]
Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(C(C)(C)C)cc1)CS(=O)(=O)C2 Cc1ccccc1[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
CCOc1cc(C[NH+]2CCCN(C(=O)c3ccsc3)CC2)ccc1OC c1cc(cs1)[*:1] CCOc1cc(ccc1OC)C[NH+]1CCCN(CC1)C(=O)[*:1]
CCOc1cc(C[NH+]2CCCN(C(=O)c3ccsc3)CC2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C[NH+]1CCCN(CC1)C(=O)c1ccsc1
CCS[C@H]1CC[C@H](NC(=O)Nc2cc(OC)ccc2F)C1 CCS[*:1] COc1ccc(F)c(c1)NC(=O)N[C@H]1CC[C@@H](C1)[*:1]
CC(C)COc1ccccc1CNC(=O)N1CCC[C@H](C)C1 CC(C)[*:1] C[C@H]1CCCN(C1)C(=O)NCc1ccccc1OC[*:1]
CC(C)COc1ccccc1CNC(=O)N1CCC[C@H](C)C1 CC(C)CO[*:1] C[C@H]1CCCN(C1)C(=O)NCc1ccccc1[*:1]
CC(C)COc1ccccc1CNC(=O)N1CCC[C@H](C)C1 CC(C)C[*:1] C[C@H]1CCCN(C1)C(=O)NCc1ccccc1O[*:1]
CCOCCN(C)c1ccc(S(N)(=O)=O)cc1C(F)(F)F CCO[*:1] CN(CC[*:1])c1ccc(cc1C(F)(F)F)S(N)(=O)=O
CCOCCN(C)c1ccc(S(N)(=O)=O)cc1C(F)(F)F FC(F)(F)[*:1] CCOCCN(C)c1ccc(cc1[*:1])S(N)(=O)=O
CCOCCN(C)c1ccc(S(N)(=O)=O)cc1C(F)(F)F CCOCCN(C)[*:1] NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)[*:1]
CCOCCN(C)c1ccc(S(N)(=O)=O)cc1C(F)(F)F CCOC[*:1] CN(C[*:1])c1ccc(cc1C(F)(F)F)S(N)(=O)=O
CCOCCN(C)c1ccc(S(N)(=O)=O)cc1C(F)(F)F CCOCC[*:1] CN(c1ccc(cc1C(F)(F)F)S(N)(=O)=O)[*:1]
CCOCCN(C)c1ccc(S(N)(=O)=O)cc1C(F)(F)F NS(=O)(=O)[*:1] CCOCCN(C)c1ccc(cc1C(F)(F)F)[*:1]
COC(=O)Cn1cc(C)c(=O)c2ccccc21 COC(=O)C[*:1] Cc1cn(c2ccccc2c1=O)[*:1]
COC(=O)Cn1cc(C)c(=O)c2ccccc21 COC(=O)[*:1] Cc1cn(C[*:1])c2ccccc2c1=O
CCOC(=O)CC[C@@H](C)NC(=O)Nc1cc(C)ccc1F CCOC(=O)C[*:1] Cc1ccc(F)c(c1)NC(=O)N[C@H](C)C[*:1]
CCOC(=O)CC[C@@H](C)NC(=O)Nc1cc(C)ccc1F CCOC(=O)CC[*:1] Cc1ccc(F)c(c1)NC(=O)N[C@H](C)[*:1]
CCOC(=O)CC[C@@H](C)NC(=O)Nc1cc(C)ccc1F CCOC(=O)[*:1] Cc1ccc(F)c(c1)NC(=O)N[C@H](C)CC[*:1]
Cc1nn(C)c(Cl)c1CN1CCOC[C@@H]1C(N)=O NC(=O)[*:1] Cc1nn(C)c(Cl)c1CN1CCOC[C@H]1[*:1]
O=C(N/N=C/Cc1ccccc1)c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(N/N=C/C[*:1])c1ccc(Cl)cc1Cl
C[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O Clc1ccc(c(Cl)c1)[*:1] C[C@@]1(NC(=O)N(C[C@H](O)CO[*:1])C1=O)c1ccccc1
C[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O Clc1ccc(O[*:1])c(Cl)c1 C[C@@]1(NC(=O)N(C[C@H](O)C[*:1])C1=O)c1ccccc1
C[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3cc(S(=O)(=O)N4CCSCC4)sc3C)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1sc(cc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1])S(=O)(=O)N1CCSCC1
Cc1ccc(N2C[C@H](C(=O)Nc3cc(S(=O)(=O)N4CCSCC4)sc3C)CC2=O)cc1 O=S(=O)(N1CCSCC1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1cc(sc1C)[*:1]
CC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 NC(=O)[*:1] CC[NH+]1CCN(CC1)S(=O)(=O)c1ccc(C)c(c1)[*:1]
Cc1ccc(CNC(=O)c2nnc(CN3CCN(C(=O)C4CC4)CC3)s2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])c1nnc(CN2CCN(CC2)C(=O)C2CC2)s1
Cc1ccc(CNC(=O)c2nnc(CN3CCN(C(=O)C4CC4)CC3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1nnc(CN2CCN(CC2)C(=O)C2CC2)s1
Cc1ccc(CNC(=O)c2nnc(CN3CCN(C(=O)C4CC4)CC3)s2)cc1 C1CC1[*:1] Cc1ccc(cc1)CNC(=O)c1nnc(CN2CCN(CC2)C(=O)[*:1])s1
COc1ccccc1[C@@H](CNC(=O)N(C)Cc1nccs1)[NH+]1CCCC1 COc1ccccc1[*:1] CN(Cc1nccs1)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
COc1ccccc1[C@@H](CNC(=O)N(C)Cc1nccs1)[NH+]1CCCC1 c1csc(n1)[*:1] COc1ccccc1[C@@H](CNC(=O)N(C)C[*:1])[NH+]1CCCC1
COc1ccccc1[C@@H](CNC(=O)N(C)Cc1nccs1)[NH+]1CCCC1 c1csc(C[*:1])n1 COc1ccccc1[C@@H](CNC(=O)N(C)[*:1])[NH+]1CCCC1
CC(C)(C)[C@H]1CC[C@H](O)[C@H](C2CCCC2)C1 CC(C)(C)[*:1] O[C@H]1CC[C@@H](C[C@H]1C1CCCC1)[*:1]
CC(C)(C)[C@H]1CC[C@H](O)[C@H](C2CCCC2)C1 C1CCC(C1)[*:1] CC(C)(C)[C@H]1CC[C@H](O)[C@H](C1)[*:1]
c1ccc(COC[C@H]2COCCOCCOCCOCCO2)cc1 c1ccc(cc1)C[*:1] C1COCCOC[C@H](CO[*:1])OCCOCCO1
c1ccc(COC[C@H]2COCCOCCOCCOCCO2)cc1 c1ccc(cc1)CO[*:1] C1COCCOC[C@H](C[*:1])OCCOCCO1
c1ccc(COC[C@H]2COCCOCCOCCOCCO2)cc1 c1ccc(cc1)[*:1] C1COCCOC[C@H](COC[*:1])OCCOCCO1
C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C(N)=O)cc1 NC(=O)[*:1] C=CCOc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1[*:1]
C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C(N)=O)cc1 C=CC[*:1] NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)O[*:1]
C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C(N)=O)cc1 C=CCO[*:1] NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)[*:1]
Cc1cncc(C(=O)Nc2cnn(-c3ccccc3)c2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)C(=O)Nc1cnn(c1)[*:1]
Cc1cncc(C(=O)Nc2cnn(-c3ccccc3)c2)c1 Cc1cncc(c1)[*:1] O=C(Nc1cnn(c1)-c1ccccc1)[*:1]
O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N[C@@H]1CCS(=O)(=O)C1 Clc1ccc(cc1Cl)[*:1] O=C(Cc1ccc(cc1)NS(=O)(=O)[*:1])N[C@@H]1CCS(=O)(=O)C1
CC(=O)N1CCCc2cc(NC(=O)NCC(C)(C)c3ccncc3)ccc21 CC(C)(c1ccncc1)[*:1] CC(=O)N1CCCc2cc(ccc21)NC(=O)NC[*:1]
CC(=O)N1CCCc2cc(NC(=O)NCC(C)(C)c3ccncc3)ccc21 c1cc(ccn1)[*:1] CC(=O)N1CCCc2cc(ccc21)NC(=O)NCC(C)(C)[*:1]
CC1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 CC(C)(C)OC(=O)N[*:1] CC1CCN(CC1)C(=O)Cc1cccc(c1)[*:1]
CC1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 CC(C)(C)[*:1] CC1CCN(CC1)C(=O)Cc1cccc(c1)NC(=O)O[*:1]
Cc1cc(C[S@@](=O)CC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)on1 Cc1cc(on1)[*:1] C[C@H]1CCC[C@H](NC(=O)C[S@](=O)C[*:1])[C@H]1C
Cc1cc(C[S@@](=O)CC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)on1 Cc1cc(C[*:1])on1 C[C@H]1CCC[C@H](NC(=O)C[S@](=O)[*:1])[C@H]1C
O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC(c1ccccc1)[*:1]
O=C(NCC1(O)CCSCC1)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 OC1(CCSCC1)C[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccc(F)cc1)N[*:1]
O=C(NCC1(O)CCSCC1)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 OC1(CCSCC1)[*:1] O=C(NC[*:1])N[C@H]1CCC[C@@H]1c1ccc(F)cc1
O=C(NCC1(O)CCSCC1)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCC1(O)CCSCC1)N[C@H]1CCC[C@H]1[*:1]
CC(C)[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 CC(C)[*:1] O=S1(=O)CCC[C@@H]1C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[*:1]
CCc1nncn1CCNC(=O)/C=C/c1cnc(C)s1 Cc1ncc(s1)[*:1] CCc1nncn1CCNC(=O)C=C[*:1]
c1ccc(-c2nc3c(s2)[C@H](NC[C@H]2C[NH+]4CCN2CC4)CCC3)cc1 c1ccc(cc1)[*:1] C1Cc2nc(sc2[C@@H](C1)NC[C@H]1C[NH+]2CCN1CC2)[*:1]
Cc1ccc(NC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)NC(=O)Nc1nnc(S[*:1])s1
Cc1ccc(NC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)Nc1nnc(SC[*:1])s1
Cc1ccc(NC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 c1ccc(cc1)CS[*:1] Cc1ccc(cc1)NC(=O)Nc1nnc(s1)[*:1]
Cc1ccc(NC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nnc(SCc2ccccc2)s1)N[*:1]
C[NH2+][C@H]1CC[C@@H](n2cc[nH+]c2C(C)C)C1 CC(C)[*:1] C[NH2+][C@H]1CC[C@H](C1)n1cc[nH+]c1[*:1]
CC(C)(C)Oc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 CC(C)(C)O[*:1] O=C(c1ccc(cc1)[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
CC(C)(C)Oc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 CC(C)(C)[*:1] O=C(c1ccc(cc1)O[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccccc2)CC1 c1cc2OCOc2cc1[*:1] O=C(COCc1cc(on1)[*:1])N1CCN(CC1)c1ccccc1
O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COCc1cc(on1)-c1ccc2OCOc2c1)N1CCN(CC1)[*:1]
COc1ccc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)cc1[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)N1CCOCC1 Cc1noc(C)c1[*:1] O=C(c1cccnc1SC[*:1])N1CCOCC1
O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] O=C(Nc1ccc2OCOc2c1)C1CC[NH+](CC1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(Nc1ccc2OCOc2c1)C1CC[NH+](CC1)C[*:1]
O=C(Nc1c(F)cccc1F)N[C@@H]1CCCN(Cc2ccccc2)C1=O Fc1cccc(F)c1[*:1] O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)N[*:1]
O=C(Nc1c(F)cccc1F)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(Nc1c(F)cccc1F)N[C@@H]1CCCN(C[*:1])C1=O
O=C(Nc1c(F)cccc1F)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] O=C(Nc1c(F)cccc1F)N[C@@H]1CCCN(C1=O)[*:1]
O=C([O-])Cn1cc(C(=O)C(F)(F)F)c2ccccc21 O=C(C(F)(F)F)[*:1] O=C([O-])Cn1cc(c2ccccc21)[*:1]
O=C([O-])Cn1cc(C(=O)C(F)(F)F)c2ccccc21 O=C([O-])C[*:1] O=C(c1cn(c2ccccc12)[*:1])C(F)(F)F
O=C([O-])Cn1cc(C(=O)C(F)(F)F)c2ccccc21 O=C([O-])[*:1] O=C(c1cn(C[*:1])c2ccccc12)C(F)(F)F
O=C([O-])Cn1cc(C(=O)C(F)(F)F)c2ccccc21 FC(F)(F)[*:1] O=C([O-])Cn1cc(C(=O)[*:1])c2ccccc21
O=C(COc1cccc(F)c1)Nc1ccccc1C(=O)NCC(F)(F)F Fc1cccc(c1)[*:1] O=C(CO[*:1])Nc1ccccc1C(=O)NCC(F)(F)F
O=C(COc1cccc(F)c1)Nc1ccccc1C(=O)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] O=C(COc1cccc(F)c1)Nc1ccccc1[*:1]
O=C(COc1cccc(F)c1)Nc1ccccc1C(=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C(COc1cccc(F)c1)Nc1ccccc1C(=O)N[*:1]
O=C(COc1cccc(F)c1)Nc1ccccc1C(=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(COc1cccc(F)c1)Nc1ccccc1C(=O)NC[*:1]
O=C(COc1cccc(F)c1)Nc1ccccc1C(=O)NCC(F)(F)F Fc1cccc(c1)O[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NCC(F)(F)F
Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ncccc4n4cccc34)C2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nc2ncccc2n2cccc12
NC(=[NH2+])c1cc(Cl)ccc1Cl NC(=[NH2+])[*:1] Clc1ccc(Cl)c(c1)[*:1]
Cc1cc2c(c(CC(C)C)nn2-c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1cc2c(c(CC(C)C)nn2[*:1])c(=O)[nH]1
Cc1cc2c(c(CC(C)C)nn2-c2ccccc2)c(=O)[nH]1 CC(C)C[*:1] Cc1cc2c(c(nn2-c2ccccc2)[*:1])c(=O)[nH]1
Cc1cc2c(c(CC(C)C)nn2-c2ccccc2)c(=O)[nH]1 CC(C)[*:1] Cc1cc2c(c(C[*:1])nn2-c2ccccc2)c(=O)[nH]1
CC(C)n1cnnc1CNC(=O)c1ccc(SC(F)(F)F)cc1 FC(F)(F)S[*:1] CC(C)n1cnnc1CNC(=O)c1ccc(cc1)[*:1]
CC(C)n1cnnc1CNC(=O)c1ccc(SC(F)(F)F)cc1 CC(C)[*:1] O=C(NCc1nncn1[*:1])c1ccc(cc1)SC(F)(F)F
CC(C)n1cnnc1CNC(=O)c1ccc(SC(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)n1cnnc1CNC(=O)c1ccc(cc1)S[*:1]
CCOc1cc([C@@H]2CC(=O)Nc3cc(OC)c(OC)cc32)ccc1O CCO[*:1] COc1cc2NC(=O)C[C@@H](c3ccc(O)c(c3)[*:1])c2cc1OC
CCn1ccnc1S(=O)(=O)Cc1sc(-c2ccccc2)nc1C c1ccc(cc1)[*:1] CCn1ccnc1S(=O)(=O)Cc1sc(nc1C)[*:1]
CCn1ccnc1S(=O)(=O)Cc1sc(-c2ccccc2)nc1C CCn1ccnc1[*:1] Cc1nc(sc1CS(=O)(=O)[*:1])-c1ccccc1
Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccc(F)cc1 Clc1ccc(c(Cl)c1)[*:1] Cc1nn(CO[*:1])c(C)c1NC(=O)c1ccc(F)cc1
Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[*:1]
Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccc(F)cc1 Clc1ccc(O[*:1])c(Cl)c1 Cc1nn(C[*:1])c(C)c1NC(=O)c1ccc(F)cc1
COC[C@@H](O)CN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 COC[C@@H](O)C[*:1] CN(C(=O)NCc1cc[nH+]c(c1)N1CCCCC1)[*:1]
COC[C@@H](O)CN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 COC[C@@H](O)[*:1] CN(C[*:1])C(=O)NCc1cc[nH+]c(c1)N1CCCCC1
COC[C@@H](O)CN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 C1CCN(CC1)[*:1] COC[C@@H](O)CN(C)C(=O)NCc1cc[nH+]c(c1)[*:1]
COC[C@@H](O)CN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 COC[*:1] CN(C[C@H](O)[*:1])C(=O)NCc1cc[nH+]c(c1)N1CCCCC1
N#CCCN(CC1CC1)S(=O)(=O)/C=C/c1ccccc1 N#CC[*:1] O=S(=O)(/C=C/c1ccccc1)N(CC1CC1)C[*:1]
N#CCCN(CC1CC1)S(=O)(=O)/C=C/c1ccccc1 C1CC1[*:1] N#CCCN(C[*:1])S(=O)(=O)/C=C/c1ccccc1
N#CCCN(CC1CC1)S(=O)(=O)/C=C/c1ccccc1 C1CC1C[*:1] N#CCCN(S(=O)(=O)/C=C/c1ccccc1)[*:1]
N#CCCN(CC1CC1)S(=O)(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] N#CCCN(CC1CC1)S(=O)(=O)C=C[*:1]
N#CCCN(CC1CC1)S(=O)(=O)/C=C/c1ccccc1 N#CCC[*:1] O=S(=O)(/C=C/c1ccccc1)N(CC1CC1)[*:1]
CCn1nc(-c2ccccc2Cl)nc2c(=O)n(C)c(=O)nc1-2 Clc1ccccc1[*:1] CCn1nc(nc2-c1nc(=O)n(C)c2=O)[*:1]
CC(C)C[C@H]1CNc2cc[nH+]cc2NC1 CC(C)C[*:1] c1cc2NC[C@@H](CNc2c[nH+]1)[*:1]
CC(C)C[C@H]1CNc2cc[nH+]cc2NC1 CC(C)[*:1] c1cc2NC[C@@H](CNc2c[nH+]1)C[*:1]
Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)[C@@H](C)NC(=O)c1cccc(c1C)[*:1]
Cc1cccc(C2=CCN(C(=O)NNC(=O)c3ccccc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NNC(=O)N1CC=C(CC1)[*:1])c1ccccc1
Cc1cccc(C2=CCN(C(=O)NNC(=O)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NNC(=O)[*:1]
Cc1cnc(CC[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)s1 Cc1cnc(s1)[*:1] C[C@@H](c1ccccc1)N1CC[C@@H](C1)[NH2+]CC[*:1]
Cc1cnc(CC[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)s1 c1ccc(cc1)[*:1] Cc1cnc(CC[NH2+][C@H]2CCN(C2)[C@@H](C)[*:1])s1
Cc1cnc(CC[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)s1 Cc1cnc(C[*:1])s1 C[C@@H](c1ccccc1)N1CC[C@@H](C1)[NH2+]C[*:1]
COc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 COc1cc(ccc1O[*:1])C(=O)Nc1nc(cs1)-c1ccc(F)cc1
COc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1nc(cs1)-c1ccc(F)cc1
COc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)N1CCOCC1 Fc1ccc(cc1)[*:1] COc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)Nc1nc(cs1)[*:1]
COc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)N1CCOCC1 O=C(CO[*:1])N1CCOCC1 COc1cc(ccc1[*:1])C(=O)Nc1nc(cs1)-c1ccc(F)cc1
Cc1noc(C)c1C[S@](=O)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1C[S@](=O)[C@H](C)[*:1]
O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)Nc1ccc(C(=O)[O-])c(O)c1 Fc1ccccc1[*:1] O=C(CCN1C(=O)SC(=C[*:1])C1=O)Nc1ccc(C(=O)[O-])c(O)c1
O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)Nc1ccc(C(=O)[O-])c(O)c1 O=C([O-])[*:1] O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)Nc1ccc(c(O)c1)[*:1]
O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)Nc1ccc(C(=O)[O-])c(O)c1 O=C([O-])c1ccc(cc1O)[*:1] O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)N[*:1]
CC(=O)Nc1ccc(C)c(N[C@H](C)C(=O)Nc2cc(C)no2)c1 Cc1cc(on1)[*:1] CC(=O)Nc1ccc(C)c(c1)N[C@H](C)C(=O)N[*:1]
CC(=O)Nc1ccc(C)c(N[C@H](C)C(=O)Nc2cc(C)no2)c1 CC(=O)N[*:1] Cc1cc(NC(=O)[C@@H](C)Nc2cc(ccc2C)[*:1])on1
Cc1ccc(N2C(=O)S/C(=C\c3cccc(O)c3)C2=O)c(C)c1 Oc1cccc(c1)[*:1] Cc1ccc(c(C)c1)N1C(=O)SC(=C[*:1])C1=O
CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H](C)c2cn(C)nc2C)c1 Cc1nn(C)cc1[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)N[C@H](C)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H](C)c2cn(C)nc2C)c1 CNC(=O)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)Nc1cc(ccc1Cl)[*:1]
CCN(C)C(=O)[C@@H]1CSCN1C(=O)CCc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CCN(C)C(=O)[C@@H]1CSCN1C(=O)CCc1ccc(cc1)[*:1]
CCN(C)C(=O)[C@@H]1CSCN1C(=O)CCc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CCN(C)C(=O)[C@@H]1CSCN1C(=O)CCc1ccc(cc1)O[*:1]
CCN(C)C(=O)[C@@H]1CSCN1C(=O)CCc1ccc(OC(F)(F)F)cc1 CCN(C)C(=O)[*:1] O=C(CCc1ccc(cc1)OC(F)(F)F)N1CSC[C@H]1[*:1]
O=C(OCCc1cccnc1)c1cnn(-c2cccc(Cl)c2)c1 c1cncc(c1)C[*:1] O=C(OC[*:1])c1cnn(c1)-c1cccc(Cl)c1
O=C(OCCc1cccnc1)c1cnn(-c2cccc(Cl)c2)c1 c1cncc(c1)[*:1] O=C(OCC[*:1])c1cnn(c1)-c1cccc(Cl)c1
O=C(OCCc1cccnc1)c1cnn(-c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] O=C(OCCc1cccnc1)c1cnn(c1)[*:1]
C[C@H]1OCC[C@H]1C(=O)NC1(c2ccccc2)CCCCC1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)NC1(CCCCC1)[*:1]
O=C(Nn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nn1ccc2c(nnc3c(cnn32)-c2ccc(F)cc2)c1=O)[*:1]
O=C(Nn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(Nn1ccc2c(nnc3c(cnn32)[*:1])c1=O)c1ccc(Cl)cc1
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1 CN(C)[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)c1ccc(F)cc1
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1 FC(F)(F)[*:1] CN(C)c1ccc(cc1NC(=O)c1ccc(F)cc1)[*:1]
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C)c1ccc(cc1NC(=O)[*:1])C(F)(F)F
CCCOc1ccc(/C=N/N2C(=S)[NH+]=N[C@@H]2c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] CCCOc1ccc(/C=N/N2C(=S)[NH+]=N[C@H]2[*:1])cc1
CCCOc1ccc(/C=N/N2C(=S)[NH+]=N[C@@H]2c2ccc(OC)cc2)cc1 CCCO[*:1] COc1ccc(cc1)[C@H]1N=[NH+]C(=S)N1/N=C/c1ccc(cc1)[*:1]
CCCOc1ccc(/C=N/N2C(=S)[NH+]=N[C@@H]2c2ccc(OC)cc2)cc1 CCC[*:1] COc1ccc(cc1)[C@H]1N=[NH+]C(=S)N1/N=C/c1ccc(cc1)O[*:1]
CC1(C)CN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC[S@@]1=O FC(F)(F)[*:1] CC1(C)CN(CC[S@@]1=O)Cc1ccc(Cl)c(c1)[*:1]
CCCO[C@@H]1CCCN(c2nc(Cl)ncc2Cl)C1 CCCO[*:1] Clc1ncc(Cl)c(n1)N1CCC[C@H](C1)[*:1]
CCCO[C@@H]1CCCN(c2nc(Cl)ncc2Cl)C1 CCC[*:1] Clc1ncc(Cl)c(n1)N1CCC[C@H](C1)O[*:1]
COC(=O)/C=C/c1ccc(NCc2ncnn2C)c([N+](=O)[O-])c1 Cn1ncnc1C[*:1] COC(=O)/C=C/c1ccc(N[*:1])c(c1)[N+](=O)[O-]
COC(=O)/C=C/c1ccc(NCc2ncnn2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)/C=C/c1ccc(NCc2ncnn2C)c(c1)[*:1]
COC(=O)/C=C/c1ccc(NCc2ncnn2C)c([N+](=O)[O-])c1 Cn1ncnc1[*:1] COC(=O)/C=C/c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
COC(=O)/C=C/c1ccc(NCc2ncnn2C)c([N+](=O)[O-])c1 COC(=O)C=C[*:1] Cn1ncnc1CNc1ccc(cc1[N+](=O)[O-])[*:1]
COC(=O)/C=C/c1ccc(NCc2ncnn2C)c([N+](=O)[O-])c1 COC(=O)[*:1] Cn1ncnc1CNc1ccc(C=C[*:1])cc1[N+](=O)[O-]
COc1ccc(Br)cc1CO/N=C/c1cccs1 c1csc(c1)[*:1] COc1ccc(Br)cc1CON=C[*:1]
O=C(NNC(=O)c1c[nH]c2cccc(F)c12)C(=O)NC1CC1 C1CC1[*:1] O=C(NNC(=O)c1c[nH]c2cccc(F)c12)C(=O)N[*:1]
CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)s1 CCc1nnc(s1)[*:1] CC(C)(C)NS(=O)(=O)c1ccc(o1)C(=O)N[*:1]
CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)s1 CC(C)(C)[*:1] CCc1nnc(NC(=O)c2ccc(o2)S(=O)(=O)N[*:1])s1
O=C(CSc1nc(-c2ccco2)nc2ccccc12)Nc1nccs1 c1csc(n1)[*:1] O=C(CSc1nc(nc2ccccc12)-c1ccco1)N[*:1]
O=C(CSc1nc(-c2ccco2)nc2ccccc12)Nc1nccs1 c1coc(c1)[*:1] O=C(CSc1nc(nc2ccccc12)[*:1])Nc1nccs1
O=C(CSc1nc(-c2ccco2)nc2ccccc12)Nc1nccs1 O=C(Nc1nccs1)[*:1] c1coc(c1)-c1nc(SC[*:1])c2ccccc2n1
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccs2)n2ncnc2N1 c1csc(c1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)Nc1ccc(C)cc1C)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccs2)n2ncnc2N1 Cc1ccc(c(C)c1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)N[*:1])c1cccs1
CCOc1ccc(C(=O)CC(F)(F)F)c(Br)c1 CCO[*:1] O=C(CC(F)(F)F)c1ccc(cc1Br)[*:1]
CCOc1ccc(C(=O)CC(F)(F)F)c(Br)c1 FC(F)(F)[*:1] CCOc1ccc(C(=O)C[*:1])c(Br)c1
CCOc1ccc(C(=O)CC(F)(F)F)c(Br)c1 FC(F)(F)C[*:1] CCOc1ccc(C(=O)[*:1])c(Br)c1
COc1ccc(Cc2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)Cc1nnc(o1)SCC(=O)[*:1]
COc1ccc(Cc2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc(C[*:1])o1)c1ccc(Br)cc1
CC1=[NH+]C(=S)[C@H]([N+](=O)[O-])N1 O=[N+]([O-])[*:1] CC1N[C@@H](C(=S)[NH+]=1)[*:1]
CC[C@H](C)c1ccc2c(c1)[C@H](O)CC2(C)C CC[C@H](C)[*:1] CC1(C)C[C@@H](O)c2cc(ccc21)[*:1]
O=C([O-])C[C@H]1CN(C(=O)c2c(F)cccc2Cl)CCO1 O=C([O-])[*:1] O=C(c1c(F)cccc1Cl)N1CCO[C@H](C1)C[*:1]
O=C([O-])C[C@H]1CN(C(=O)c2c(F)cccc2Cl)CCO1 O=C([O-])C[*:1] O=C(c1c(F)cccc1Cl)N1CCO[C@H](C1)[*:1]
CC(C)[C@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](Sc1nc(c[nH]1)-c1ccccc1)[*:1]
CC(C)[C@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)N1CCCC1 c1ccc(cc1)[*:1] CC(C)[C@H](Sc1nc(c[nH]1)[*:1])C(=O)N1CCCC1
CC(C)[C@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)N1CCCC1 CC(C)[*:1] O=C([C@@H](Sc1nc(c[nH]1)-c1ccccc1)[*:1])N1CCCC1
C[C@H]1OCC[C@H]1C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1 c1coc(c1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCOC[C@@H]1CC(=O)[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1 O=C(c1ccco1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCOC[C@@H]1C[*:1]
COc1ccc(NC(=O)Oc2ccccc2-c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])Oc1ccccc1-c1ccccc1
COc1ccc(NC(=O)Oc2ccccc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Oc1ccccc1[*:1]
C[C@H](NC(=O)N[C@H](Cc1ccccc1)C1CC1)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H](Cc1ccccc1)C1CC1)[*:1]
C[C@H](NC(=O)N[C@H](Cc1ccccc1)C1CC1)c1ccc(C#N)cc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N[C@H](C1CC1)[*:1])c1ccc(C#N)cc1
C[C@H](NC(=O)N[C@H](Cc1ccccc1)C1CC1)c1ccc(C#N)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H](C[*:1])C1CC1)c1ccc(C#N)cc1
C[C@H](NC(=O)N[C@H](Cc1ccccc1)C1CC1)c1ccc(C#N)cc1 C1CC1[*:1] C[C@H](NC(=O)N[C@H](Cc1ccccc1)[*:1])c1ccc(C#N)cc1
CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 CC(=O)C[*:1] O=S(=O)(Oc1ccc(cc1)C[*:1])c1ccc(Cl)c(Cl)c1
CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 CC(=O)[*:1] O=S(=O)(Oc1ccc(cc1)CC[*:1])c1ccc(Cl)c(Cl)c1
CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 CC(=O)CC[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccc(Cl)c(Cl)c1
Cn1c(SC[C@@H]2CCCO2)nnc1C1CCN(C/C(Cl)=C/c2ccccc2)CC1 Cl/C(=C\c1ccccc1)[*:1] Cn1c(nnc1C1CCN(CC1)C[*:1])SC[C@@H]1CCCO1
Cn1c(SC[C@@H]2CCCO2)nnc1C1CCN(C/C(Cl)=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1c(nnc1C1CCN(CC1)CC(Cl)=C[*:1])SC[C@@H]1CCCO1
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@H](C[*:1])C(=O)N1CCC(CC1)[NH+]1CCCC1
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@@H](NS(=O)(=O)[*:1])C(=O)N1CCC(CC1)[NH+]1CCCC1
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)N1CCC(CC1)[NH+]1CCCC1)[*:1]
O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 Fc1ccccc1[*:1] O=C(Cn1nc(ccc1=O)[*:1])N1CC[C@@]2(O)CCCC[C@H]2C1
COC(=O)[C@@H]1CN(C(=O)NC(=O)CCCC(=O)[O-])C[C@H]1C O=C([O-])[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)NC(=O)CCC[*:1]
COC(=O)[C@@H]1CN(C(=O)NC(=O)CCCC(=O)[O-])C[C@H]1C O=C([O-])CC[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)NC(=O)C[*:1]
COC(=O)[C@@H]1CN(C(=O)NC(=O)CCCC(=O)[O-])C[C@H]1C O=C([O-])CCC[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)NC(=O)[*:1]
COC(=O)[C@@H]1CN(C(=O)NC(=O)CCCC(=O)[O-])C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)NC(=O)CCCC(=O)[O-]
COC(=O)[C@@H]1CN(C(=O)NC(=O)CCCC(=O)[O-])C[C@H]1C O=C([O-])C[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)NC(=O)CC[*:1]
COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)C1=C(C)NC(=O)N[C@@H]1[*:1]
COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(OC)c2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)[C@H]1NC(=O)NC(C)=C1C(=O)N[*:1]
COC(=O)c1ccc(C[S@](=O)CC2CCCC2)nc1 C1CCC(C1)[*:1] COC(=O)c1ccc(C[S@](=O)C[*:1])nc1
COC(=O)c1ccc(C[S@](=O)CC2CCCC2)nc1 COC(=O)[*:1] O=[S@@](Cc1ccc(cn1)[*:1])CC1CCCC1
COC(=O)c1ccc(C[S@](=O)CC2CCCC2)nc1 C1CCC(C1)C[*:1] COC(=O)c1ccc(C[S@](=O)[*:1])nc1
COc1cccc(NC(=O)NC2(C(=O)[O-])CCCCC2)c1 O=C([O-])[*:1] COc1cccc(c1)NC(=O)NC1(CCCCC1)[*:1]
O=c1cc([C@@H]2CCCCN2Cc2ccccc2)nc(-c2ccncc2)[nH]1 c1ccc(cc1)[*:1] O=c1cc(nc([nH]1)-c1ccncc1)[C@@H]1CCCCN1C[*:1]
O=c1cc([C@@H]2CCCCN2Cc2ccccc2)nc(-c2ccncc2)[nH]1 c1ccc(cc1)C[*:1] O=c1cc(nc([nH]1)-c1ccncc1)[C@@H]1CCCCN1[*:1]
O=c1cc([C@@H]2CCCCN2Cc2ccccc2)nc(-c2ccncc2)[nH]1 c1cc(ccn1)[*:1] O=c1cc(nc([nH]1)[*:1])[C@@H]1CCCCN1Cc1ccccc1
CN(Cc1cccnc1)S(=O)(=O)c1ccc2c(c1)CCO2 c1cncc(c1)C[*:1] CN(S(=O)(=O)c1ccc2OCCc2c1)[*:1]
CN(Cc1cccnc1)S(=O)(=O)c1ccc2c(c1)CCO2 c1cncc(c1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc2OCCc2c1
Cc1nn(C)c2c1nc([C@H](C)Cl)n2Cc1ccccc1Cl C[C@H](Cl)[*:1] Cc1nn(C)c2c1nc(n2Cc1ccccc1Cl)[*:1]
Cc1nn(C)c2c1nc([C@H](C)Cl)n2Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1nn(C)c2c1nc([C@H](C)Cl)n2C[*:1]
O=C(Cc1ccccc1Cl)N1CCN(CN2C(=O)[C@@H]3CCC[C@H]32)CC1 Clc1ccccc1C[*:1] O=C1[C@@H]2CCC[C@H]2N1CN1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccccc1Cl)N1CCN(CN2C(=O)[C@@H]3CCC[C@H]32)CC1 Clc1ccccc1[*:1] O=C(C[*:1])N1CCN(CC1)CN1C(=O)[C@@H]2CCC[C@H]21
CCCOc1cccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)c1 O=[N+]([O-])[*:1] CCCOc1cccc(c1)C(=O)Nc1nc2c(cc(cc2s1)[*:1])OC
CCCOc1cccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)c1 CCCO[*:1] COc1cc(cc2sc(nc12)NC(=O)c1cccc(c1)[*:1])[N+](=O)[O-]
CCCOc1cccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)c1 CCC[*:1] COc1cc(cc2sc(nc12)NC(=O)c1cccc(c1)O[*:1])[N+](=O)[O-]
COc1cccc(-n2cc(CNC(=O)[C@@H](c3cccc(C)c3)N(C)C)cn2)c1 Cc1cccc(c1)[*:1] COc1cccc(c1)-n1cc(cn1)CNC(=O)[C@@H](N(C)C)[*:1]
COc1cccc(-n2cc(CNC(=O)[C@@H](c3cccc(C)c3)N(C)C)cn2)c1 COc1cccc(c1)[*:1] Cc1cccc(c1)[C@H](C(=O)NCc1cnn(c1)[*:1])N(C)C
COc1cccc(-n2cc(CNC(=O)[C@@H](c3cccc(C)c3)N(C)C)cn2)c1 CN(C)[*:1] COc1cccc(c1)-n1cc(cn1)CNC(=O)[C@@H](c1cccc(C)c1)[*:1]
Cc1cc(F)cc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 NC(=O)[*:1] Cc1cc(F)cc(c1)C(=O)N1C[C@H](CC[C@H]1C)[*:1]
COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCC(=O)N2CCCCCC2)cc1 O=C(C[*:1])N1CCCCCC1 COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)O[*:1]
COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCC(=O)N2CCCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(OCC(=O)N1CCCCCC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCC(=O)N2CCCCCC2)cc1 O=C(N1CCCCCC1)[*:1] COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)OC[*:1]
O=C1NCCN1CCn1cc[nH+]c1-c1cccc(Cn2cccn2)c1 O=C1NCCN1[*:1] c1cc(cc(c1)-c1[nH+]ccn1CC[*:1])Cn1cccn1
O=C1NCCN1CCn1cc[nH+]c1-c1cccc(Cn2cccn2)c1 O=C1NCCN1CC[*:1] c1cc(cc(c1)-c1[nH+]ccn1[*:1])Cn1cccn1
O=C1NCCN1CCn1cc[nH+]c1-c1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] O=C1NCCN1CCn1cc[nH+]c1-c1cccc(c1)[*:1]
O=C1NCCN1CCn1cc[nH+]c1-c1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] O=C1NCCN1CCn1cc[nH+]c1-c1cccc(c1)C[*:1]
O=C1NCCN1CCn1cc[nH+]c1-c1cccc(Cn2cccn2)c1 O=C1NCCN1C[*:1] c1cc(cc(c1)-c1[nH+]ccn1C[*:1])Cn1cccn1
Cc1c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 O=[N+]([O-])[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
Cc1c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NC(=O)[*:1]
Cc1c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC(=O)c1ccc(cc1)[N+](=O)[O-]
C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2c(=O)[nH]1 c1nnnn1[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])c1nc2ccccc2c(=O)[nH]1
CCOCc1c(O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(OC)cc3)c12 COc1ccc(cc1)[*:1] CCOCc1c(O)ccc2c(c(C)n(c12)[*:1])[N+](=O)[O-]
CCOCc1c(O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(OC)cc3)c12 O=[N+]([O-])[*:1] CCOCc1c(O)ccc2c(c(C)n(-c3ccc(cc3)OC)c12)[*:1]
CCOCc1c(O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(OC)cc3)c12 CCO[*:1] COc1ccc(cc1)-n1c(C)c(c2ccc(O)c(C[*:1])c21)[N+](=O)[O-]
CCOCc1c(O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(OC)cc3)c12 CCOC[*:1] COc1ccc(cc1)-n1c(C)c(c2ccc(O)c(c21)[*:1])[N+](=O)[O-]
Cc1cccc(Oc2ccccc2NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 Cc1cccc(c1)O[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)N1C(=O)CCC1=O
Cc1cccc(Oc2ccccc2NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 O=C1CCC(=O)N1[*:1] Cc1cccc(c1)Oc1ccccc1NC(=O)c1ccc(cc1)[*:1]
Cc1cccc(Oc2ccccc2NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1O[*:1])c1ccc(cc1)N1C(=O)CCC1=O
COc1ccc2c(c1)OC[C@H](Cc1ncccc1C(N)=O)C2 NC(=O)[*:1] COc1ccc2C[C@H](COc2c1)Cc1ncccc1[*:1]
CN(C(=O)c1cccc(Cl)c1Cl)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)c1cccc(Cl)c1Cl)[C@@H]1CCC[C@H]1[*:1]
C#CCN1CCN(C(=O)C[NH2+]C2(C(=O)NCC3CC3)CCCC2)CC1 C1CC1[*:1] C#CCN1CCN(CC1)C(=O)C[NH2+]C1(CCCC1)C(=O)NC[*:1]
C#CCN1CCN(C(=O)C[NH2+]C2(C(=O)NCC3CC3)CCCC2)CC1 O=C(NCC1CC1)[*:1] C#CCN1CCN(CC1)C(=O)C[NH2+]C1(CCCC1)[*:1]
C#CCN1CCN(C(=O)C[NH2+]C2(C(=O)NCC3CC3)CCCC2)CC1 C#CC[*:1] O=C(C[NH2+]C1(CCCC1)C(=O)NCC1CC1)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)C[NH2+]C2(C(=O)NCC3CC3)CCCC2)CC1 C1CC1C[*:1] C#CCN1CCN(CC1)C(=O)C[NH2+]C1(CCCC1)C(=O)N[*:1]
CCCOc1ccc2cc(C(=O)OC3CC[NH+](C)CC3)c(=O)oc2c1 CCCO[*:1] C[NH+]1CCC(CC1)OC(=O)c1cc2ccc(cc2oc1=O)[*:1]
CCCOc1ccc2cc(C(=O)OC3CC[NH+](C)CC3)c(=O)oc2c1 CCC[*:1] C[NH+]1CCC(CC1)OC(=O)c1cc2ccc(cc2oc1=O)O[*:1]
C[C@@H](CCO)CNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 C[C@@H](CCO)C[*:1] O=C(N[C@H]1CC(=O)N(C1)c1ccccc1)N[*:1]
C[C@@H](CCO)CNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 C[C@@H](CCO)[*:1] O=C(NC[*:1])N[C@H]1CC(=O)N(C1)c1ccccc1
C[C@@H](CCO)CNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 OCC[*:1] C[C@@H](CNC(=O)N[C@H]1CC(=O)N(C1)c1ccccc1)[*:1]
C[C@@H](CCO)CNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H](CCO)CNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCO[C@@H](c2ccccc2F)C1 C1CCC(CC1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCO[C@H](C1)c1ccccc1F
C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCO[C@@H](c2ccccc2F)C1 Fc1ccccc1[*:1] C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCO[C@@H](C1)[*:1]
CCC[NH2+][C@@]1(CO)CC[C@@H](N2CC[C@H]([NH+](C)C)C2)C1 CCC[*:1] C[NH+](C)[C@H]1CCN(C1)[C@@H]1CC[C@@](CO)(C1)[NH2+][*:1]
O=C(c1cn2c(n1)sc1ccccc12)N1CCC[NH+](Cc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(c1cn2c(n1)sc1ccccc12)N1CCC[NH+](CC1)C[*:1]
O=C(c1cn2c(n1)sc1ccccc12)N1CCC[NH+](Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 O=C(c1cn2c(n1)sc1ccccc12)N1CCC[NH+](CC1)[*:1]
CC1CCN(C2=[NH+][C@H]3[C@@H](C([O-])=NC(=O)N3C)N2CCSc2nc3ccccc3[nH]2)CC1 c1ccc2[nH]c(nc2c1)S[*:1] CC1CCN(CC1)C1=[NH+][C@H]2[C@@H](C([O-])=NC(=O)N2C)N1CC[*:1]
CC1CCN(C2=[NH+][C@H]3[C@@H](C([O-])=NC(=O)N3C)N2CCSc2nc3ccccc3[nH]2)CC1 c1ccc2[nH]c(nc2c1)[*:1] CC1CCN(CC1)C1=[NH+][C@H]2[C@@H](C([O-])=NC(=O)N2C)N1CCS[*:1]
O=C(COc1ccc2ccccc2c1)Nc1cccc(C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] O=C(COc1ccc2ccccc2c1)Nc1cccc(c1)[*:1]
Cc1c(OC(=O)c2cccs2)ccc2c1O/C(=C\c1cccs1)C2=O O=C(O[*:1])c1cccs1 Cc1c(ccc2C(=O)/C(=C/c3cccs3)Oc21)[*:1]
Cc1c(OC(=O)c2cccs2)ccc2c1O/C(=C\c1cccs1)C2=O c1csc(c1)[*:1] Cc1c(ccc2C(=O)C(=C[*:1])Oc21)OC(=O)c1cccs1
Cc1c(OC(=O)c2cccs2)ccc2c1O/C(=C\c1cccs1)C2=O c1csc(c1)[*:1] Cc1c(ccc2C(=O)/C(=C/c3cccs3)Oc21)OC(=O)[*:1]
CCC[NH2+][C@H](c1ccc[nH+]c1N)[C@H]1CN(CCC)CCO1 CCC[*:1] CCCN1CCO[C@H](C1)[C@H]([NH2+][*:1])c1ccc[nH+]c1N
CCC[NH2+][C@H](c1ccc[nH+]c1N)[C@H]1CN(CCC)CCO1 CCC[*:1] CCC[NH2+][C@H](c1ccc[nH+]c1N)[C@H]1CN(CCO1)[*:1]
O=C(NCc1ccccc1CO)C(=O)Nc1cccc2c1CCCC2 OCc1ccccc1[*:1] O=C(NC[*:1])C(=O)Nc1cccc2CCCCc21
CC(C)C(=O)NCCNC(=O)NCC1(c2ccc(F)cc2F)CC1 CC(C)C(=O)N[*:1] O=C(NCC[*:1])NCC1(CC1)c1ccc(F)cc1F
CC(C)C(=O)NCCNC(=O)NCC1(c2ccc(F)cc2F)CC1 CC(C)C(=O)NCC[*:1] O=C(NCC1(CC1)c1ccc(F)cc1F)N[*:1]
CC(C)C(=O)NCCNC(=O)NCC1(c2ccc(F)cc2F)CC1 CC(C)C(=O)NC[*:1] O=C(NCC1(CC1)c1ccc(F)cc1F)NC[*:1]
CC(C)C(=O)NCCNC(=O)NCC1(c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] CC(C)C(=O)NCCNC(=O)NCC1(CC1)[*:1]
CC(C)C(=O)NCCNC(=O)NCC1(c2ccc(F)cc2F)CC1 CC(C)[*:1] O=C(NCCNC(=O)[*:1])NCC1(CC1)c1ccc(F)cc1F
Cn1cnnc1C1CC[NH+](Cc2coc3ccccc23)CC1 Cn1cnnc1[*:1] c1ccc2c(coc2c1)C[NH+]1CCC(CC1)[*:1]
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)[C@H]1C[C@@H]1[*:1]
COC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 COC[*:1] C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[*:1]
COC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 COC[C@H](C)[*:1] C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][*:1]
CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](O)[*:1]
CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1 CCCN[*:1] N#Cc1ccc(c(c1)NC(=O)C[C@@H](O)c1ccc(Cl)cc1)[*:1]
CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](O)c1ccc(Cl)cc1 CCC[*:1] N#Cc1ccc(N[*:1])c(c1)NC(=O)C[C@@H](O)c1ccc(Cl)cc1
C/[NH+]=C(/NC[C@H]1CCCO1)NCC(C)(C)c1cccs1 C1CO[C@H](C1)[*:1] C/[NH+]=C(\NCC(C)(C)c1cccs1)NC[*:1]
C/[NH+]=C(/NC[C@H]1CCCO1)NCC(C)(C)c1cccs1 c1csc(c1)[*:1] C/[NH+]=C(/NC[C@H]1CCCO1)NCC(C)(C)[*:1]
C/[NH+]=C(/NC[C@H]1CCCO1)NCC(C)(C)c1cccs1 C1CO[C@H](C1)C[*:1] C/[NH+]=C(\NCC(C)(C)c1cccs1)N[*:1]
[NH3+][C@@H]1CCN(Cc2ccc(C3=NC(=O)CC(c4cccnc4)=N3)cc2)C1 c1cncc(c1)[*:1] [NH3+][C@@H]1CCN(Cc2ccc(cc2)C2=NC(=O)CC(=N2)[*:1])C1
CC(C)C[NH+](CC(C)C)[C@@H](C)[C@@H](C)C(=O)NN CC(C)C[*:1] CC(C)C[NH+]([C@@H](C)[C@@H](C)C(=O)NN)[*:1]
CC(C)C[NH+](CC(C)C)[C@@H](C)[C@@H](C)C(=O)NN NNC(=O)[*:1] CC(C)C[NH+](CC(C)C)[C@@H](C)[C@@H](C)[*:1]
CC(C)C[NH+](CC(C)C)[C@@H](C)[C@@H](C)C(=O)NN CC(C)[*:1] CC(C)C[NH+](C[*:1])[C@@H](C)[C@@H](C)C(=O)NN
N#C/C(=C\c1cccn1-c1cccc(C(=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] N#C/C(=C\c1cccn1-c1cccc(c1)C(=O)[O-])C(=O)N[*:1]
N#C/C(=C\c1cccn1-c1cccc(C(=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 O=C([O-])[*:1] N#C/C(=C\c1cccn1-c1cccc(c1)[*:1])C(=O)Nc1cccc(Cl)c1
N#C/C(=C\c1cccn1-c1cccc(C(=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 O=C([O-])c1cccc(c1)[*:1] N#C/C(=C\c1cccn1[*:1])C(=O)Nc1cccc(Cl)c1
C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2ccc(C(N)=O)c(F)c2)C1 NC(=O)[*:1] C[C@H]1CC(C)(C)C[C@](CO)(C1)NC(=O)Nc1ccc(c(F)c1)[*:1]
COc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c(F)c1 CN(C)C(=O)[*:1] COc1ccc(c(F)c1)[C@H](C)[NH2+]C1CCN(CC1)C[*:1]
COc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c(F)c1 CN(C)C(=O)C[*:1] COc1ccc(c(F)c1)[C@H](C)[NH2+]C1CCN(CC1)[*:1]
COc1cccc(C2=NN=C3CCN(C(=O)Cc4ccn(C)c4)C[C@@H]32)c1 Cn1ccc(c1)C[*:1] COc1cccc(c1)C1=NN=C2CCN(C[C@@H]21)C(=O)[*:1]
COc1cccc(C2=NN=C3CCN(C(=O)Cc4ccn(C)c4)C[C@@H]32)c1 COc1cccc(c1)[*:1] Cn1ccc(c1)CC(=O)N1CCC2=NN=C([C@H]2C1)[*:1]
COc1cccc(C2=NN=C3CCN(C(=O)Cc4ccn(C)c4)C[C@@H]32)c1 Cn1ccc(c1)[*:1] COc1cccc(c1)C1=NN=C2CCN(C[C@@H]21)C(=O)C[*:1]
Cc1nc2ccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)cc2nc1C O=[N+]([O-])[*:1] Cc1nc2ccc(cc2nc1C)C(=O)N(C)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2
Cc1ccc(F)cc1NC(=O)[C@H](C)[S@](=O)Cc1ccc(C(C)C)cc1 CC(C)[*:1] Cc1ccc(F)cc1NC(=O)[C@H](C)[S@](=O)Cc1ccc(cc1)[*:1]
Cc1ccc(F)cc1NC(=O)[C@H](C)[S@](=O)Cc1ccc(C(C)C)cc1 Cc1ccc(F)cc1[*:1] CC(C)c1ccc(cc1)C[S@@](=O)[C@@H](C)C(=O)N[*:1]
N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(NC2CC2)s1 O=[N+]([O-])[*:1] N#Cc1cc(ccc1Sc1nnc(NC2CC2)s1)[*:1]
N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(NC2CC2)s1 C1CC1[*:1] N#Cc1cc(ccc1Sc1nnc(N[*:1])s1)[N+](=O)[O-]
N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(NC2CC2)s1 C1CC1N[*:1] N#Cc1cc(ccc1Sc1nnc(s1)[*:1])[N+](=O)[O-]
CC(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
CC(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
CC(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)OCC(=O)N1CCN(CC1)C[*:1]
CC(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)OCC(=O)N1CCN(CC1)[*:1]
CCN(C(=O)c1ccnc(C(=O)OC)c1)[C@H](C)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(C(=O)c1ccnc(c1)C(=O)OC)[C@H](C)[*:1]
CCN(C(=O)c1ccnc(C(=O)OC)c1)[C@H](C)c1cccc(OC)c1 COC(=O)[*:1] CCN(C(=O)c1ccnc(c1)[*:1])[C@H](C)c1cccc(c1)OC
CC(C)CCC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 CC(C)C[*:1] O=C(C[*:1])Nc1ccc(OCc2cccnc2)c(Cl)c1
CC(C)CCC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 CC(C)[*:1] O=C(CC[*:1])Nc1ccc(OCc2cccnc2)c(Cl)c1
CC(C)CCC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 CC(C)CC[*:1] O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[*:1]
CC(C)CCC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 c1cncc(c1)C[*:1] CC(C)CCC(=O)Nc1ccc(O[*:1])c(Cl)c1
CC(C)CCC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 c1cncc(c1)[*:1] CC(C)CCC(=O)Nc1ccc(OC[*:1])c(Cl)c1
O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)Cn2ccnc2)CC1 c1cn(cn1)C[*:1] O=C(Nc1ccc(F)c(Cl)c1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)Cn2ccnc2)CC1 Fc1ccc(cc1Cl)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)Cn1ccnc1
O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)Cn2ccnc2)CC1 c1cn(cn1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)C1CCN(CC1)C(=O)C[*:1]
O=C(c1ccccc1Br)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 C1CN(CCO1)C[*:1] O=C(c1ccccc1Br)N(C[*:1])c1nc2ccc(F)cc2s1
O=C(c1ccccc1Br)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 Brc1ccccc1[*:1] O=C(N(CCN1CCOCC1)c1nc2ccc(F)cc2s1)[*:1]
O=C(c1ccccc1Br)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 C1CN(CCO1)CC[*:1] O=C(c1ccccc1Br)N(c1nc2ccc(F)cc2s1)[*:1]
O=C(c1ccccc1Br)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 C1CN(CCO1)[*:1] O=C(c1ccccc1Br)N(CC[*:1])c1nc2ccc(F)cc2s1
CC(C)(C)c1csc(CCNC(=O)NC[C@H]2CCC[C@@H](O)C2)n1 CC(C)(C)[*:1] O=C(NCCc1nc(cs1)[*:1])NC[C@H]1CCC[C@@H](O)C1
COc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1cccc(c1)N1C(=O)N([C@H]2CS(=O)(=O)C[C@H]21)[*:1]
COc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 O=[N+]([O-])[*:1] COc1cccc(c1)N1C(=O)N(c2ccc(cc2)[*:1])[C@H]2CS(=O)(=O)C[C@H]21
COc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 COc1cccc(c1)[*:1] O=C1N(c2ccc(cc2)[N+](=O)[O-])[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CC[NH+]1CCN(c2ncnc(Nc3ccccn3)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)c1ncnc(Nc2ccccn2)c1[*:1]
CC[NH+]1CCN(c2ncnc(Nc3ccccn3)c2[N+](=O)[O-])CC1 c1ccc(nc1)N[*:1] CC[NH+]1CCN(CC1)c1ncnc(c1[N+](=O)[O-])[*:1]
CC[NH+]1CCN(c2ncnc(Nc3ccccn3)c2[N+](=O)[O-])CC1 c1ccc(nc1)[*:1] CC[NH+]1CCN(CC1)c1ncnc(N[*:1])c1[N+](=O)[O-]
COc1ccc(CNC(=O)CCn2ccc(C)n2)cc1 Cc1ccn(n1)[*:1] COc1ccc(cc1)CNC(=O)CC[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1c(C)noc1C O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1C(=O)OCc1c(C)noc1C)[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1c(C)noc1C Cc1noc(C)c1C[*:1] Cc1ccc(cc1C(=O)O[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1c(C)noc1C Cc1noc(C)c1[*:1] Cc1ccc(cc1C(=O)OC[*:1])S(=O)(=O)N1CCOCC1
CN(C)C(=O)c1ccccc1SCc1cccs1 c1csc(c1)C[*:1] CN(C)C(=O)c1ccccc1S[*:1]
CN(C)C(=O)c1ccccc1SCc1cccs1 c1csc(c1)[*:1] CN(C)C(=O)c1ccccc1SC[*:1]
CN(C)C(=O)c1ccccc1SCc1cccs1 CN(C)C(=O)[*:1] c1csc(c1)CSc1ccccc1[*:1]
O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 Fc1cccc(Cl)c1[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(CC1)C[*:1]
O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 Fc1cccc(Cl)c1C[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(CC1)[*:1]
S=c1[nH]cc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 c1ccc(cc1)[*:1] S=c1[nH]cc(-c2ccc(Cl)c(Cl)c2)n1[*:1]
CC1(C)[C@@H](CC(=O)NCc2ccc(Cl)cc2)C[C@H]1C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC1(C)[C@@H](CC(=O)NCc2ccc(Cl)cc2)C[C@H]1C(=O)NC[*:1]
CC1(C)[C@@H](CC(=O)NCc2ccc(Cl)cc2)C[C@H]1C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CC1(C)[C@@H](CC(=O)N[*:1])C[C@H]1C(=O)NCc1ccc(Cl)cc1
CC1(C)[C@@H](CC(=O)NCc2ccc(Cl)cc2)C[C@H]1C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC1(C)[C@@H](CC(=O)NC[*:1])C[C@H]1C(=O)NCc1ccc(Cl)cc1
CC1(C)[C@@H](CC(=O)NCc2ccc(Cl)cc2)C[C@H]1C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CC1(C)[C@@H](CC(=O)NCc2ccc(Cl)cc2)C[C@H]1C(=O)N[*:1]
O=C(CN1CCN(c2ccccc2F)C1=O)Nc1nc(-c2ccco2)cs1 c1coc(c1)[*:1] O=C(CN1CCN(C1=O)c1ccccc1F)Nc1nc(cs1)[*:1]
O=C(CN1CCN(c2ccccc2F)C1=O)Nc1nc(-c2ccco2)cs1 Fc1ccccc1[*:1] O=C(CN1CCN(C1=O)[*:1])Nc1nc(cs1)-c1ccco1
O=C([O-])c1ccc(/C=C2/SC(=O)N(c3ccc(F)cc3)C2=O)cc1 O=C([O-])[*:1] O=C1S/C(=C/c2ccc(cc2)[*:1])C(=O)N1c1ccc(F)cc1
O=C([O-])c1ccc(/C=C2/SC(=O)N(c3ccc(F)cc3)C2=O)cc1 Fc1ccc(cc1)[*:1] O=C([O-])c1ccc(/C=C2/SC(=O)N(C2=O)[*:1])cc1
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(F)F)c1 O=C(OCC(F)F)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(F)F)c1 FC(F)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)OC[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(F)F)c1 FC(F)C[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)O[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(F)F)c1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)OCC(F)F)[*:1]
Cc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1nc2cc(cc(C)c2o1)[*:1]
CCCCNC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 CCC[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2
CCCCNC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 CCCC[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2
Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)C(C)C)cc3)[C@@H]2C(=O)Nc2ccccc2)c1 Cc1cccc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)[C@H]1OC(=O)N(C[*:1])[C@H]1C(=O)Nc1ccccc1
Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)C(C)C)cc3)[C@@H]2C(=O)Nc2ccccc2)c1 CC(C)[*:1] Cc1cccc(c1)CN1C(=O)O[C@H](c2ccc(cc2)NC(=O)[*:1])[C@@H]1C(=O)Nc1ccccc1
Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)C(C)C)cc3)[C@@H]2C(=O)Nc2ccccc2)c1 CC(C)C(=O)N[*:1] Cc1cccc(c1)CN1C(=O)O[C@H](c2ccc(cc2)[*:1])[C@@H]1C(=O)Nc1ccccc1
Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)C(C)C)cc3)[C@@H]2C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CN1C(=O)O[C@H](c2ccc(cc2)NC(=O)C(C)C)[C@@H]1C(=O)N[*:1]
Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)C(C)C)cc3)[C@@H]2C(=O)Nc2ccccc2)c1 O=C(Nc1ccccc1)[*:1] Cc1cccc(c1)CN1C(=O)O[C@H](c2ccc(cc2)NC(=O)C(C)C)[C@H]1[*:1]
Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)C(C)C)cc3)[C@@H]2C(=O)Nc2ccccc2)c1 Cc1cccc(c1)C[*:1] CC(C)C(=O)Nc1ccc(cc1)[C@H]1OC(=O)N([C@H]1C(=O)Nc1ccccc1)[*:1]
COc1cccc([C@H](O)CNc2nccn(CC(C)C)c2=O)c1 CC(C)[*:1] COc1cccc(c1)[C@H](O)CNc1nccn(C[*:1])c1=O
COc1cccc([C@H](O)CNc2nccn(CC(C)C)c2=O)c1 CC(C)C[*:1] COc1cccc(c1)[C@H](O)CNc1nccn(c1=O)[*:1]
Cc1cccc(N2CCN(C(=O)C[C@H]3Sc4ccccc4NC3=O)CC2)c1C Cc1cccc(c1C)[*:1] O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(CC1)[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 CCC[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)NC(=O)N[C@@](C)(CO)[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC[C@@](C)(CO)NC(=O)N[C@@H](C)c1ccc(C)c(c1)[*:1]
CC[C@H](C)Sc1cccc(F)c1C(N)=[NH2+] NC(=[NH2+])[*:1] CC[C@H](C)Sc1cccc(F)c1[*:1]
CC[C@H](C)Sc1cccc(F)c1C(N)=[NH2+] CC[C@H](C)[*:1] NC(=[NH2+])c1c(F)cccc1S[*:1]
CC[C@H](C)Sc1cccc(F)c1C(N)=[NH2+] CC[C@H](C)S[*:1] NC(=[NH2+])c1c(F)cccc1[*:1]
CN1N=C(C(=O)Nc2ccc(-n3cccn3)nc2)CCC1=O c1cnn(c1)[*:1] CN1N=C(CCC1=O)C(=O)Nc1ccc(nc1)[*:1]
CC[NH+]1CCN(CCNC(=O)c2sc(-n3cccc3)nc2C(C)C)CC1 CC(C)[*:1] CC[NH+]1CCN(CCNC(=O)c2sc(nc2[*:1])-n2cccc2)CC1
CC[NH+]1CCN(CCNC(=O)c2sc(-n3cccc3)nc2C(C)C)CC1 c1ccn(c1)[*:1] CC[NH+]1CCN(CCNC(=O)c2sc(nc2C(C)C)[*:1])CC1
CCOCCCC(=O)N[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 CCOC[*:1] O=C(CC[*:1])N[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2
CCOCCCC(=O)N[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 O=C([O-])[*:1] CCOCCCC(=O)N[C@H]1[C@@H]([C@H]2CC[C@@H]1C2)[*:1]
CCOCCCC(=O)N[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 CCO[*:1] O=C(CCC[*:1])N[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2
CCOCCCC(=O)N[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 CCOCCC[*:1] O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@H]1NC(=O)[*:1]
CCOCCCC(=O)N[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 CCOCC[*:1] O=C(C[*:1])N[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2
COc1ccccc1CNC(=O)c1cnn2c(C)c(Cc3ccc(C)cc3)c(C)nc12 COc1ccccc1C[*:1] Cc1ccc(cc1)Cc1c(C)nc2c(cnn2c1C)C(=O)N[*:1]
COc1ccccc1CNC(=O)c1cnn2c(C)c(Cc3ccc(C)cc3)c(C)nc12 COc1ccccc1[*:1] Cc1ccc(cc1)Cc1c(C)nc2c(cnn2c1C)C(=O)NC[*:1]
COc1ccccc1CNC(=O)c1cnn2c(C)c(Cc3ccc(C)cc3)c(C)nc12 Cc1ccc(cc1)C[*:1] COc1ccccc1CNC(=O)c1cnn2c(C)c(c(C)nc12)[*:1]
COc1ccccc1CNC(=O)c1cnn2c(C)c(Cc3ccc(C)cc3)c(C)nc12 Cc1ccc(cc1)[*:1] COc1ccccc1CNC(=O)c1cnn2c(C)c(C[*:1])c(C)nc12
Cc1nnc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)s1 Cc1nnc(s1)[*:1] O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N[*:1]
Cc1cccc(C(=O)Nc2ccn(-c3ncccc3Cl)n2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C(=O)Nc2ccn(n2)-c2ncccc2Cl)c1[*:1]
Cc1cccc(C(=O)Nc2ccn(-c3ncccc3Cl)n2)c1[N+](=O)[O-] Clc1cccnc1[*:1] Cc1cccc(C(=O)Nc2ccn(n2)[*:1])c1[N+](=O)[O-]
C[C@@](N)(C(=O)N(CCO)C1CCCCC1)C(F)(F)F C1CCC(CC1)[*:1] C[C@@](N)(C(=O)N(CCO)[*:1])C(F)(F)F
C[C@@](N)(C(=O)N(CCO)C1CCCCC1)C(F)(F)F OCC[*:1] C[C@@](N)(C(=O)N(C1CCCCC1)[*:1])C(F)(F)F
C[C@@](N)(C(=O)N(CCO)C1CCCCC1)C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(C(=O)N(CCO)C1CCCCC1)[*:1]
O=C(Cl)c1cc(Cl)ccc1OCc1cccc(F)c1 O=C(Cl)[*:1] Fc1cccc(c1)COc1ccc(Cl)cc1[*:1]
COCC[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] COCC[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[C@H]1[*:1]
COCC[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] COC[*:1] [NH3+][C@@H](C[*:1])C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-]
COCC[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] COCC[*:1] [NH3+][C@H](C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-])[*:1]
COC1CC[NH+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1 c1ccc(cc1)[*:1] COC1CC[NH+](CC1)Cc1nc(oc1C)-c1cccc(c1)O[*:1]
COC1CC[NH+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1 c1ccc(cc1)O[*:1] COC1CC[NH+](CC1)Cc1nc(oc1C)-c1cccc(c1)[*:1]
Cc1ccc(CNC(=O)N2CCC(CC(N)=O)CC2)s1 NC(=O)[*:1] Cc1ccc(CNC(=O)N2CCC(CC2)C[*:1])s1
Cc1ccc(CNC(=O)N2CCC(CC(N)=O)CC2)s1 NC(=O)C[*:1] Cc1ccc(CNC(=O)N2CCC(CC2)[*:1])s1
Cc1ccc(CNC(=O)N2CCC(CC(N)=O)CC2)s1 Cc1ccc(s1)[*:1] NC(=O)CC1CCN(CC1)C(=O)NC[*:1]
COc1ccc(-c2c(C)nc3nc(SCc4ccccc4)nn3c2N)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1c(C)nc2nc(nn2c1N)S[*:1]
COc1ccc(-c2c(C)nc3nc(SCc4ccccc4)nn3c2N)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1c(C)nc2nc(nn2c1N)SC[*:1]
COc1ccc(-c2c(C)nc3nc(SCc4ccccc4)nn3c2N)cc1 COc1ccc(cc1)[*:1] Cc1nc2nc(nn2c(N)c1[*:1])SCc1ccccc1
COc1ccc(-c2c(C)nc3nc(SCc4ccccc4)nn3c2N)cc1 c1ccc(cc1)CS[*:1] COc1ccc(cc1)-c1c(C)nc2nc(nn2c1N)[*:1]
CC[C@@]1(C)CCCN(C(=O)NCCC(=O)N2CCCC2)C1 O=C(N1CCCC1)[*:1] CC[C@@]1(C)CCCN(C1)C(=O)NCC[*:1]
O=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 O=C(Nc1nccs1)[*:1] O=S(=O)(c1cc(ccc1Cl)[*:1])N1CCCCCC1
O=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 c1csc(n1)[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1
Cc1ccc(NC(=O)COC(=O)c2ccccc2I)c(Cl)c1 Ic1ccccc1[*:1] Cc1ccc(NC(=O)COC(=O)[*:1])c(Cl)c1
Cc1ccc(Cn2cc(Br)c(NC(=O)c3ccc(C#N)cc3)n2)cc1 Cc1ccc(cc1)C[*:1] N#Cc1ccc(cc1)C(=O)Nc1nn(cc1Br)[*:1]
Cc1ccc(Cn2cc(Br)c(NC(=O)c3ccc(C#N)cc3)n2)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1cc(Br)c(n1)NC(=O)[*:1]
Cc1ccc(Cn2cc(Br)c(NC(=O)c3ccc(C#N)cc3)n2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(cc1)C(=O)Nc1nn(cc1Br)C[*:1]
O=C(C[NH+]1CCCN(CC(F)F)CC1)NC(=O)NCc1cccs1 c1csc(c1)[*:1] O=C(C[NH+]1CCCN(CC1)CC(F)F)NC(=O)NC[*:1]
O=C(C[NH+]1CCCN(CC(F)F)CC1)NC(=O)NCc1cccs1 c1csc(c1)C[*:1] O=C(C[NH+]1CCCN(CC1)CC(F)F)NC(=O)N[*:1]
O=C(C[NH+]1CCCN(CC(F)F)CC1)NC(=O)NCc1cccs1 FC(F)C[*:1] O=C(C[NH+]1CCCN(CC1)[*:1])NC(=O)NCc1cccs1
O=C(C[NH+]1CCCN(CC(F)F)CC1)NC(=O)NCc1cccs1 FC(F)[*:1] O=C(C[NH+]1CCCN(CC1)C[*:1])NC(=O)NCc1cccs1
Cc1ccc(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])[C@H]1CC(=NO1)c1c(F)cccc1Cl
Cc1ccc(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)c(C)c1 Fc1cccc(Cl)c1[*:1] Cc1ccc(NC(=O)[C@H]2CC(=NO2)[*:1])c(C)c1
O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1[*:1]
O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] O=C(N1CCOCC1)[*:1] O=C(Nc1ccccc1[*:1])c1ccccc1[N+](=O)[O-]
COc1cc(CCC(=O)Nc2cccc(C(=O)c3nccn3C)c2)on1 Cn1ccnc1C(=O)[*:1] COc1cc(CCC(=O)Nc2cccc(c2)[*:1])on1
COc1cc(CCC(=O)Nc2cccc(C(=O)c3nccn3C)c2)on1 Cn1ccnc1[*:1] COc1cc(CCC(=O)Nc2cccc(c2)C(=O)[*:1])on1
COc1cc(CCC(=O)Nc2cccc(C(=O)c3nccn3C)c2)on1 COc1cc(on1)[*:1] Cn1ccnc1C(=O)c1cccc(c1)NC(=O)CC[*:1]
COc1cc(CCC(=O)Nc2cccc(C(=O)c3nccn3C)c2)on1 COc1cc(C[*:1])on1 Cn1ccnc1C(=O)c1cccc(c1)NC(=O)C[*:1]
C/[NH+]=C(/NCCN1CCN(c2ncccn2)CC1)N[C@H]1C[C@H]1C c1cnc(nc1)[*:1] C/[NH+]=C(/NCCN1CCN(CC1)[*:1])N[C@H]1C[C@H]1C
COc1ccc(SCC(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)SCC(=O)N1CCC[C@H]1[*:1]
CCc1cc(=O)n(CC(=O)N(C)c2ccccc2)c(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] CCc1cc(=O)n(CC(=O)N(C)c2ccccc2)c(n1)[*:1]
CCc1cc(=O)n(CC(=O)N(C)c2ccccc2)c(-c2cccc(F)c2)n1 c1ccc(cc1)[*:1] CCc1cc(=O)n(CC(=O)N(C)[*:1])c(n1)-c1cccc(F)c1
[NH3+]C1(CC(=O)Nc2nnc(C3CC3)o2)CCC1 C1CC1[*:1] [NH3+]C1(CCC1)CC(=O)Nc1nnc(o1)[*:1]
CC[C@H]1CC[C@H](N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 C1CC1[*:1] CC[C@H]1CC[C@@H](C1)N1CCN(CC1)C(=O)C(=O)N[*:1]
CC[C@H]1CC[C@H](N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 CC[C@H]1CC[C@H](C1)[*:1] O=C(NC1CC1)C(=O)N1CCN(CC1)[*:1]
COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1cnn(C)c1 Cn1cc(cn1)[*:1] COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[*:1]
CO/N=C\c1cc(Br)cc(OC)c1O CON=C[*:1] COc1cc(Br)cc(c1O)[*:1]
CC(=O)c1cccc(S(=O)(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 C1CC1[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N[C@H](c1nc(no1)[*:1])C(C)C
CC(=O)c1cccc(S(=O)(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 CC(=O)[*:1] CC(C)[C@H](NS(=O)(=O)c1cccc(c1)[*:1])c1nc(no1)C1CC1
CC(=O)c1cccc(S(=O)(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 CC(C)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N[C@H](c1nc(no1)C1CC1)[*:1]
CC(=O)c1cccc(S(=O)(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 C1CC1c1noc(n1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N[C@H](C(C)C)[*:1]
CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] CN(CCN1CCOCC1)S(=O)(=O)[*:1]
CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Br)s1 C1CN(CCO1)[*:1] CN(CC[*:1])S(=O)(=O)c1ccc(Br)s1
Cc1ccc(CCN[C@H](C)c2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)CCN[C@H](C)[*:1]
C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 O=[N+]([O-])[*:1] C[NH+](C/C=C/c1ccccc1[*:1])C1CCN(CC1)S(C)(=O)=O
O=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N1CCCCC1)N1CCN(C1)S(=O)(=O)[*:1]
CC[C@@H](CNc1ccccc1OC)Oc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNc1ccccc1OC)O[*:1]
Cc1cccc(NC(=O)[C@@H](C)Sc2ccccn2)c1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1cccc(NC(=O)[C@@H](C)Sc2ccccn2)c1[*:1]
Cc1cccc(NC(=O)[C@@H](C)Sc2ccccn2)c1C(=O)N1CCCC1 c1ccc(nc1)S[*:1] Cc1cccc(NC(=O)[C@@H](C)[*:1])c1C(=O)N1CCCC1
Cc1cccc(NC(=O)[C@@H](C)Sc2ccccn2)c1C(=O)N1CCCC1 c1ccc(nc1)[*:1] Cc1cccc(NC(=O)[C@@H](C)S[*:1])c1C(=O)N1CCCC1
C1CC[C@@H](CCc2nc([C@@H]3CSCCO3)no2)[NH2+]C1 C1CSC[C@H](O1)[*:1] C1CC[C@@H](CCc2nc(no2)[*:1])[NH2+]C1
C[C@@H](CSC(C)(C)C)[NH2+]C[C@]1(O)CCc2ccccc21 CC(C)(C)S[*:1] C[C@@H](C[*:1])[NH2+]C[C@]1(O)CCc2ccccc21
C[C@@H](CSC(C)(C)C)[NH2+]C[C@]1(O)CCc2ccccc21 CC(C)(C)[*:1] C[C@@H](CS[*:1])[NH2+]C[C@]1(O)CCc2ccccc21
C[C@@H](CSC(C)(C)C)[NH2+]C[C@]1(O)CCc2ccccc21 CC(C)(C)SC[*:1] C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)[*:1]
O=C(NC[C@H](O)c1ccco1)[C@@H]1C[C@H]1c1ccccc1F O[C@H](c1ccco1)[*:1] O=C(NC[*:1])[C@@H]1C[C@H]1c1ccccc1F
O=C(NC[C@H](O)c1ccco1)[C@@H]1C[C@H]1c1ccccc1F c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])[C@@H]1C[C@H]1c1ccccc1F
O=C(NC[C@H](O)c1ccco1)[C@@H]1C[C@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(NC[C@H](O)c1ccco1)[C@@H]1C[C@@H]1[*:1]
Cc1nc(-c2ccc(C(=O)NCC(=O)NCc3ccccc3)cc2)no1 c1ccc(cc1)C[*:1] Cc1nc(no1)-c1ccc(cc1)C(=O)NCC(=O)N[*:1]
Cc1nc(-c2ccc(C(=O)NCC(=O)NCc3ccccc3)cc2)no1 Cc1nc(no1)[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])NCc1ccccc1
Cc1nc(-c2ccc(C(=O)NCC(=O)NCc3ccccc3)cc2)no1 c1ccc(cc1)[*:1] Cc1nc(no1)-c1ccc(cc1)C(=O)NCC(=O)NC[*:1]
C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nccs2)C1=O C1CC1[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2nccs2)C1=O)[*:1]
C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nccs2)C1=O c1csc(n1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)C1CC1
C[C@H](C(=O)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1)n1cncn1 C[C@H](n1cncn1)[*:1] O=C(N1CCC[C@@H](C1)c1cc([nH]n1)C(F)(F)F)[*:1]
C[C@H](C(=O)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1)n1cncn1 FC(F)(F)[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)c1cc([nH]n1)[*:1])n1cncn1
C[C@H](C(=O)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)c1cc([nH]n1)C(F)(F)F)[*:1]
CC[C@H](C)C(=O)NCC(=O)N[C@H]1COc2c(cccc2OC)C1 CC[C@H](C)C(=O)N[*:1] COc1cccc2C[C@H](COc21)NC(=O)C[*:1]
CC[C@H](C)C(=O)NCC(=O)N[C@H]1COc2c(cccc2OC)C1 CC[C@H](C)[*:1] COc1cccc2C[C@H](COc21)NC(=O)CNC(=O)[*:1]
CCC[C@H](C)C(=O)Nc1ccc(OC)cc1 CCC[C@H](C)[*:1] COc1ccc(cc1)NC(=O)[*:1]
CCC[C@H](C)C(=O)Nc1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)NC(=O)[C@@H](C)[*:1]
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(CN2CCOCC2)CC1 Clc1ccc(cc1Cl)[*:1] O=C(C[*:1])N1CCC(CC1)CN1CCOCC1
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(CC1)[*:1]
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(CC1)C[*:1]
CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 c1csc(c1)[*:1] CCN1CCN(CC1)C(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(o1)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(o1)[N+](=O)[O-])c1cccc(c1)[*:1]
CCC(CC)NC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] CCC(CC)NC(=O)NC[C@H]1CN(CCO1)C[*:1]
CCC(CC)NC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 CCC(CC)[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)N[*:1]
CCC(CC)NC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] CCC(CC)NC(=O)NC[C@H]1CN(CCO1)[*:1]
CCOc1ccc(C(=O)NCCS(=O)(=O)/N=c2/cccc[nH]2)cc1 CCO[*:1] O=C(NCCS(=O)(=O)/N=c1/cccc[nH]1)c1ccc(cc1)[*:1]
COC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1 COC(=O)[*:1] C[C@@H]([NH2+]CC(C)(C)[*:1])c1ccc(F)cc1
CC[C@@H](C)n1nccc1NC(=O)[C@]1(C)Sc2ccccc2NC1=O CC[C@@H](C)[*:1] C[C@]1(Sc2ccccc2NC1=O)C(=O)Nc1ccnn1[*:1]
C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1cc(F)ccc1F)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1cc(F)ccc1F)c1ccccc1Cl Fc1ccc(F)c(c1)[*:1] C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1ccccc1Cl)[*:1]
COc1ccccc1CN1N=CC2=N[C@H](c3cccc(-n4cccn4)c3)N[C@@H]21 c1cnn(c1)[*:1] COc1ccccc1CN1N=CC2=N[C@@H](N[C@@H]21)c1cccc(c1)[*:1]
COc1ccccc1CN1N=CC2=N[C@H](c3cccc(-n4cccn4)c3)N[C@@H]21 COc1ccccc1C[*:1] C1=NN([C@H]2N[C@H](N=C12)c1cccc(c1)-n1cccn1)[*:1]
COc1ccccc1CN1N=CC2=N[C@H](c3cccc(-n4cccn4)c3)N[C@@H]21 COc1ccccc1[*:1] C1=NN(C[*:1])[C@H]2N[C@H](N=C12)c1cccc(c1)-n1cccn1
CC(C)N1C[C@@H](C(=O)O[C@H](C)COc2cccc(F)c2)CC1=O Fc1cccc(c1)[*:1] CC(C)N1C[C@H](CC1=O)C(=O)O[C@H](C)CO[*:1]
CC(C)N1C[C@@H](C(=O)O[C@H](C)COc2cccc(F)c2)CC1=O CC(C)[*:1] C[C@H](COc1cccc(F)c1)OC(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(COc1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC[C@@H](C1)c1cncc(n1)-c1cccc(Cl)c1
O=C(COc1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 c1ccc(cc1)OC[*:1] O=C(N1CCC[C@@H](C1)c1cncc(n1)-c1cccc(Cl)c1)[*:1]
O=C(COc1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 Clc1cccc(c1)[*:1] O=C(COc1ccccc1)N1CCC[C@@H](C1)c1cncc(n1)[*:1]
O=C(COc1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1cncc(n1)-c1cccc(Cl)c1
CCCC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 CCC[*:1] O=C(N1CCN(CC1)c1nc2ccc(Cl)cc2s1)[*:1]
O=C(Nc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1cccc(c1)NC(=O)[*:1])C1(CC1)c1ccc(Br)cc1
O=C(Nc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)c1)c1ccc(F)cc1 Brc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)CNC(=O)C1(CC1)[*:1])c1ccc(F)cc1
O=C(Nc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)c1)c1ccc(F)cc1 Brc1ccc(cc1)C1(CC1)[*:1] O=C(Nc1cccc(c1)CNC(=O)[*:1])c1ccc(F)cc1
O=C(Nc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)c1)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 O=C(NCc1cccc(c1)[*:1])C1(CC1)c1ccc(Br)cc1
C/C=C/C=C/C(=O)Nc1ccc(C(=O)NCC)cc1C C/C=C/C=C[*:1] CCNC(=O)c1ccc(NC(=O)[*:1])c(C)c1
C/C=C/C=C/C(=O)Nc1ccc(C(=O)NCC)cc1C CCNC(=O)[*:1] C/C=C/C=C/C(=O)Nc1ccc(cc1C)[*:1]
C/C=C/C=C/C(=O)Nc1ccc(C(=O)NCC)cc1C CC=C[*:1] CCNC(=O)c1ccc(NC(=O)C=C[*:1])c(C)c1
COc1ccc(NC(=O)c2cccnc2)cc1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1C[*:1])NC(=O)c1cccnc1
COc1ccc(NC(=O)c2cccnc2)cc1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1[*:1])NC(=O)c1cccnc1
COc1ccc(NC(=O)c2cccnc2)cc1Cc1ccccc1 c1cncc(c1)[*:1] COc1ccc(cc1Cc1ccccc1)NC(=O)[*:1]
Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)c1 FC(F)[*:1] Cc1ccc(O[*:1])c(c1)[C@H](C)[NH2+]C1CCN(CC1)C(=O)OC(C)C
Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)c1 CC(C)[*:1] Cc1ccc(OC(F)F)c(c1)[C@H](C)[NH2+]C1CCN(CC1)C(=O)O[*:1]
Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)c1 FC(F)O[*:1] Cc1ccc(c(c1)[C@H](C)[NH2+]C1CCN(CC1)C(=O)OC(C)C)[*:1]
Brc1ccc(C[NH2+]CCn2cnnc2C2CC2)cc1 C1CC1[*:1] Brc1ccc(cc1)C[NH2+]CCn1cnnc1[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](C)S[C@@H](C)C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](C)S[C@@H](C)[*:1]
CCOC(=O)[C@H]1C(=O)N(O)C[C@H]1c1cccc(Oc2ccc(CC)cc2)c1 CCc1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(=O)N(O)C[C@H]1c1cccc(c1)O[*:1]
CCOC(=O)[C@H]1C(=O)N(O)C[C@H]1c1cccc(Oc2ccc(CC)cc2)c1 CCOC(=O)[*:1] CCc1ccc(cc1)Oc1cccc(c1)[C@@H]1CN(O)C(=O)[C@@H]1[*:1]
CCOC(=O)[C@H]1C(=O)N(O)C[C@H]1c1cccc(Oc2ccc(CC)cc2)c1 CCc1ccc(cc1)O[*:1] CCOC(=O)[C@H]1C(=O)N(O)C[C@H]1c1cccc(c1)[*:1]
CCc1ccc(CN(C(=O)c2cccnc2N2CCOCC2)C2CC2)cc1 CCc1ccc(cc1)[*:1] O=C(c1cccnc1N1CCOCC1)N(C[*:1])C1CC1
CCc1ccc(CN(C(=O)c2cccnc2N2CCOCC2)C2CC2)cc1 C1CN(CCO1)[*:1] CCc1ccc(cc1)CN(C(=O)c1cccnc1[*:1])C1CC1
CCc1ccc(CN(C(=O)c2cccnc2N2CCOCC2)C2CC2)cc1 C1CC1[*:1] CCc1ccc(cc1)CN(C(=O)c1cccnc1N1CCOCC1)[*:1]
CCc1ccc(CN(C(=O)c2cccnc2N2CCOCC2)C2CC2)cc1 CCc1ccc(cc1)C[*:1] O=C(c1cccnc1N1CCOCC1)N(C1CC1)[*:1]
CC(C)CC(=O)N(CCc1cscn1)Cc1ccco1 CC(C)C[*:1] O=C(N(CCc1cscn1)Cc1ccco1)[*:1]
CC(C)CC(=O)N(CCc1cscn1)Cc1ccco1 c1coc(c1)C[*:1] CC(C)CC(=O)N(CCc1cscn1)[*:1]
CC(C)CC(=O)N(CCc1cscn1)Cc1ccco1 CC(C)[*:1] O=C(C[*:1])N(CCc1cscn1)Cc1ccco1
CC(C)CC(=O)N(CCc1cscn1)Cc1ccco1 c1coc(c1)[*:1] CC(C)CC(=O)N(CCc1cscn1)C[*:1]
CC(C)CC(=O)N(CCc1cscn1)Cc1ccco1 c1nc(cs1)[*:1] CC(C)CC(=O)N(CC[*:1])Cc1ccco1
CC(C)CC(=O)N(CCc1cscn1)Cc1ccco1 c1nc(cs1)C[*:1] CC(C)CC(=O)N(Cc1ccco1)C[*:1]
COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3c[nH]c4ccccc34)nc12 c1cncc(c1)[*:1] COc1ccc(OC)c2sc(nc12)N(C[*:1])C(=O)c1c[nH]c2ccccc12
COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3c[nH]c4ccccc34)nc12 c1cncc(c1)C[*:1] COc1ccc(OC)c2sc(nc12)N(C(=O)c1c[nH]c2ccccc12)[*:1]
COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3c[nH]c4ccccc34)nc12 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(OC)c2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
NC(=O)[C@@H]1COCCN1Cc1cc(F)cc(Br)c1 NC(=O)[*:1] Fc1cc(Br)cc(c1)CN1CCOC[C@H]1[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H](O)c1ccc(cc1)C(F)(F)F)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2=O)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[C@@H](O)c1ccc(cc1)[*:1]
Cn1cc(C(=O)N2CCCC2)cc(NC(=O)CCc2ccccc2)c1=O c1ccc(cc1)CC[*:1] Cn1cc(cc(NC(=O)[*:1])c1=O)C(=O)N1CCCC1
Cn1cc(C(=O)N2CCCC2)cc(NC(=O)CCc2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1cc(cc(NC(=O)CC[*:1])c1=O)C(=O)N1CCCC1
Cn1cc(C(=O)N2CCCC2)cc(NC(=O)CCc2ccccc2)c1=O c1ccc(cc1)C[*:1] Cn1cc(cc(NC(=O)C[*:1])c1=O)C(=O)N1CCCC1
Cn1cc(C(=O)N2CCCC2)cc(NC(=O)CCc2ccccc2)c1=O O=C(N1CCCC1)[*:1] Cn1cc(cc(NC(=O)CCc2ccccc2)c1=O)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1cc2ccccc2o1 CNC(=O)[*:1] C[C@@H](CN(C)C(=O)c1cc2ccccc2o1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1cc2ccccc2o1 CNC(=O)[C@@H](C)[*:1] CN(C[*:1])C(=O)c1cc2ccccc2o1
O=C(Nc1ccccc1C(F)(F)F)c1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1C[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cnn(c1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)c1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] O=C(Nc1ccccc1C(F)(F)F)c1cnn(c1)C[*:1]
O=C(Nc1ccccc1C(F)(F)F)c1cnn(Cc2ccccc2Cl)c1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])c1cnn(c1)Cc1ccccc1Cl
Cn1nncc1CN1CCC[C@@H]([NH+]2CCCCCC2)C1 Cn1nncc1[*:1] C1CCC[NH+](CC1)[C@@H]1CCCN(C1)C[*:1]
O=C(C[C@@H]1CCCN1C(=O)[C@@H]1COc2ccccc2C1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C([C@@H]1COc2ccccc2C1)N1CCC[C@H]1C[*:1]
O=C(C[C@@H]1CCCN1C(=O)[C@@H]1COc2ccccc2C1)c1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H]1COc2ccccc2C1)N1CCC[C@H]1CC(=O)[*:1]
O=C1C(Cl)=C(NCc2ccc(F)cc2)C(=O)N1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C1C(Cl)=C(NCc2ccc(F)cc2)C(=O)N1[*:1]
O=C1C(Cl)=C(NCc2ccc(F)cc2)C(=O)N1CCc1ccccc1 Fc1ccc(cc1)C[*:1] O=C1C(Cl)=C(N[*:1])C(=O)N1CCc1ccccc1
O=C1C(Cl)=C(NCc2ccc(F)cc2)C(=O)N1CCc1ccccc1 Fc1ccc(cc1)[*:1] O=C1C(Cl)=C(NC[*:1])C(=O)N1CCc1ccccc1
O=C1C(Cl)=C(NCc2ccc(F)cc2)C(=O)N1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1C(Cl)=C(NCc2ccc(F)cc2)C(=O)N1C[*:1]
O=C1C(Cl)=C(NCc2ccc(F)cc2)C(=O)N1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1C(Cl)=C(NCc2ccc(F)cc2)C(=O)N1CC[*:1]
c1cn(CC2CC[NH+](Cc3cnc(C4CC4)s3)CC2)nn1 c1cn(C[*:1])nn1 c1nc(sc1C[NH+]1CCC(CC1)[*:1])C1CC1
c1cn(CC2CC[NH+](Cc3cnc(C4CC4)s3)CC2)nn1 c1cn(nn1)[*:1] c1nc(sc1C[NH+]1CCC(CC1)C[*:1])C1CC1
c1cn(CC2CC[NH+](Cc3cnc(C4CC4)s3)CC2)nn1 C1CC1[*:1] c1cn(CC2CC[NH+](CC2)Cc2cnc(s2)[*:1])nn1
CCn1c(SCC(=O)Nc2ncc3c(n2)C[C@H](C)CC3=O)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1ncc2C(=O)C[C@@H](C)Cc2n1
COC(=O)[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 COC(=O)[*:1] c1ccc(cc1)[C@H]1CC[NH2+]C[C@@H]1[*:1]
CC(C)C[C@H](NC(=O)[C@H]1C=C[C@H]([NH3+])C1)C(=O)[O-] CC(C)[*:1] [NH3+][C@H]1C=C[C@@H](C1)C(=O)N[C@@H](C[*:1])C(=O)[O-]
CC(C)C[C@H](NC(=O)[C@H]1C=C[C@H]([NH3+])C1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](NC(=O)[C@H]1C=C[C@H]([NH3+])C1)[*:1]
CC(C)C[C@H](NC(=O)[C@H]1C=C[C@H]([NH3+])C1)C(=O)[O-] CC(C)C[*:1] [NH3+][C@H]1C=C[C@@H](C1)C(=O)N[C@H](C(=O)[O-])[*:1]
CC(C)c1ccc(N2CCN(CC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)cc1 CC(C)c1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
CC(C)c1ccc(N2CCN(CC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)cc1 CC(C)[*:1] O=C(CN1CCN(C1=O)c1ccc(cc1)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
Cc1ccc2cccc(NC(=O)[C@H](C)SCc3nc4scc(-c5ccccc5)c4c(=O)[nH]3)c2n1 c1ccc(cc1)[*:1] Cc1ccc2cccc(NC(=O)[C@H](C)SCc3nc4scc(c4c(=O)[nH]3)[*:1])c2n1
Cc1ccc2cccc(NC(=O)[C@H](C)SCc3nc4scc(-c5ccccc5)c4c(=O)[nH]3)c2n1 Cc1ccc2cccc(c2n1)[*:1] C[C@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)N[*:1]
COc1cccc(-c2cccc(NC(=O)NCC3([NH+](C)C)CCOCC3)c2)c1 COc1cccc(c1)[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)Nc1cccc(c1)[*:1]
Cc1cc(C[C@@H](C)[NH3+])ccc1N(CC(C)C)C1CCCC1 CC(C)[*:1] Cc1cc(ccc1N(C[*:1])C1CCCC1)C[C@@H](C)[NH3+]
Cc1cc(C[C@@H](C)[NH3+])ccc1N(CC(C)C)C1CCCC1 CC(C)C[*:1] Cc1cc(ccc1N(C1CCCC1)[*:1])C[C@@H](C)[NH3+]
Cc1cc(C[C@@H](C)[NH3+])ccc1N(CC(C)C)C1CCCC1 C1CCC(C1)[*:1] Cc1cc(ccc1N(CC(C)C)[*:1])C[C@@H](C)[NH3+]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)Cc2ccc(-n3cccn3)cc2)C1 c1cnn(c1)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)Cc1ccc(cc1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)Cc2ccc(-n3cccn3)cc2)C1 CS(=O)(=O)[*:1] O=C(Cc1ccc(cc1)-n1cccn1)N[C@H]1CCC[C@@H](C1)[*:1]
CCC[NH2+][C@@H]1CCC[C@@H]1CCSc1ncccc1Cl CCC[*:1] Clc1cccnc1SCC[C@H]1CCC[C@H]1[NH2+][*:1]
CC(C)Cn1c(S[C@@H]2CCOC2=O)nnc1-c1ccc(Cl)cc1Cl CC(C)C[*:1] O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1[*:1]
CC(C)Cn1c(S[C@@H]2CCOC2=O)nnc1-c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] CC(C)Cn1c(nnc1[*:1])S[C@@H]1CCOC1=O
CC(C)Cn1c(S[C@@H]2CCOC2=O)nnc1-c1ccc(Cl)cc1Cl CC(C)[*:1] O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1C[*:1]
Cn1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(Cl)c1Cl Cn1c(cc(Cl)c1Cl)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
COCc1cc(NC(=O)N2CCO[C@](C)(c3ccccc3)C2)ncn1 COC[*:1] C[C@]1(CN(CCO1)C(=O)Nc1cc(ncn1)[*:1])c1ccccc1
COCc1cc(NC(=O)N2CCO[C@](C)(c3ccccc3)C2)ncn1 c1ccc(cc1)[*:1] COCc1cc(ncn1)NC(=O)N1CCO[C@](C)(C1)[*:1]
Cc1ccc(CNC(=O)c2ccc(C[S@](=O)c3cccc(Cl)c3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(C[S@](=O)c2cccc(Cl)c2)o1
Cc1ccc(CNC(=O)c2ccc(C[S@](=O)c3cccc(Cl)c3)o2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)CNC(=O)c1ccc(C[S@](=O)[*:1])o1
Cc1ccc(CNC(=O)c2ccc(C[S@](=O)c3cccc(Cl)c3)o2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(C[S@](=O)c2cccc(Cl)c2)o1
CSc1nnc(CCCNC(=O)N2CC[C@@H](C)[C@H](O)C2)n1CC(C)C CC(C)C[*:1] CSc1nnc(CCCNC(=O)N2CC[C@@H](C)[C@H](O)C2)n1[*:1]
CSc1nnc(CCCNC(=O)N2CC[C@@H](C)[C@H](O)C2)n1CC(C)C CC(C)[*:1] CSc1nnc(CCCNC(=O)N2CC[C@@H](C)[C@H](O)C2)n1C[*:1]
Cc1ccc(NC(=O)C[C@H]2[NH2+][C@@H]3CCCC[C@@H]3NC2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)C[C@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O
CC[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] CC[NH+]1CCC(CC1)NC(=O)Nc1ccccc1C(=O)N[*:1]
CC[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1 CC(C)(C)NC(=O)[*:1] CC[NH+]1CCC(CC1)NC(=O)Nc1ccccc1[*:1]
Cc1cn2c(=O)c(C(=O)N[C@@H](Cc3ccccc3)CN3CCOCC3)cnc2s1 c1ccc(cc1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@H](CN1CCOCC1)C[*:1]
Cc1cn2c(=O)c(C(=O)N[C@@H](Cc3ccccc3)CN3CCOCC3)cnc2s1 C1CN(CCO1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@@H](Cc1ccccc1)C[*:1]
Cc1cn2c(=O)c(C(=O)N[C@@H](Cc3ccccc3)CN3CCOCC3)cnc2s1 c1ccc(cc1)C[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@@H](CN1CCOCC1)[*:1]
Cc1cn2c(=O)c(C(=O)N[C@@H](Cc3ccccc3)CN3CCOCC3)cnc2s1 C1CN(CCO1)C[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@@H](Cc1ccccc1)[*:1]
CC1CC[NH+](CCCNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] CC1CC[NH+](CCCNC(=O)Nc2cccc(c2)NC(=O)[*:1])CC1
CC1CC[NH+](CCCNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC1 O=C(N[*:1])c1ccccc1 CC1CC[NH+](CCCNC(=O)Nc2cccc(c2)[*:1])CC1
O=C(Nc1nccs1)c1nc(-c2ccccc2)oc1N1CCCCC1 O=C(Nc1nccs1)[*:1] c1ccc(cc1)-c1nc(c(o1)N1CCCCC1)[*:1]
O=C(Nc1nccs1)c1nc(-c2ccccc2)oc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(Nc1nccs1)c1nc(oc1[*:1])-c1ccccc1
O=C(Nc1nccs1)c1nc(-c2ccccc2)oc1N1CCCCC1 c1ccc(cc1)[*:1] O=C(Nc1nccs1)c1nc(oc1N1CCCCC1)[*:1]
O=C(Nc1nccs1)c1nc(-c2ccccc2)oc1N1CCCCC1 c1csc(n1)[*:1] O=C(N[*:1])c1nc(oc1N1CCCCC1)-c1ccccc1
CCOc1cccc([C@@](C)(O)c2ccc(C)c(F)c2)c1 CCO[*:1] Cc1ccc(cc1F)[C@](C)(O)c1cccc(c1)[*:1]
CC(=O)N1CCC[C@@H](Cc2nccnc2C(=O)[O-])C1 O=C([O-])[*:1] CC(=O)N1CCC[C@@H](Cc2nccnc2[*:1])C1
COCC(=O)N1CC[C@H](C(N)=O)c2ccccc21 COC[*:1] NC(=O)[C@H]1CCN(C(=O)[*:1])c2ccccc21
COCC(=O)N1CC[C@H](C(N)=O)c2ccccc21 NC(=O)[*:1] COCC(=O)N1CC[C@H](c2ccccc21)[*:1]
C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2ccccc2CO)C1=O OCc1ccccc1[*:1] C[C@@H]1Oc2ccccc2N(CCC(=O)NC[*:1])C1=O
N#CCc1ccc(S(=O)(=O)N(CCC(F)(F)F)C2CCC2)cc1 FC(F)(F)[*:1] N#CCc1ccc(cc1)S(=O)(=O)N(CC[*:1])C1CCC1
N#CCc1ccc(S(=O)(=O)N(CCC(F)(F)F)C2CCC2)cc1 FC(F)(F)CC[*:1] N#CCc1ccc(cc1)S(=O)(=O)N(C1CCC1)[*:1]
N#CCc1ccc(S(=O)(=O)N(CCC(F)(F)F)C2CCC2)cc1 FC(F)(F)C[*:1] N#CCc1ccc(cc1)S(=O)(=O)N(C[*:1])C1CCC1
N#CCc1ccc(S(=O)(=O)N(CCC(F)(F)F)C2CCC2)cc1 N#CC[*:1] O=S(=O)(c1ccc(cc1)[*:1])N(CCC(F)(F)F)C1CCC1
N#CCc1ccc(S(=O)(=O)N(CCC(F)(F)F)C2CCC2)cc1 C1CC(C1)[*:1] N#CCc1ccc(cc1)S(=O)(=O)N(CCC(F)(F)F)[*:1]
CCCOc1ccc(Br)cc1CNCc1nnc2n1CCC2 CCC[*:1] Brc1ccc(O[*:1])c(c1)CNCc1nnc2CCCn21
CCCOc1ccc(Br)cc1CNCc1nnc2n1CCC2 CCCO[*:1] Brc1ccc(c(c1)CNCc1nnc2CCCn21)[*:1]
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CC1=C(N)OC2C[C@@H](CC(=O)C=2[C@@H]1c1c[nH]nc1[*:1])c1ccccc1
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 c1ccc(cc1)[*:1] N#CC1=C(N)OC2C[C@H](CC(=O)C=2[C@@H]1c1c[nH]nc1-c1ccc(F)cc1)[*:1]
O=C(NC1CCCC1)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21 c1coc(c1)C[*:1] O=C(NC1CCCC1)N1CCc2cc(ccc21)S(=O)(=O)N[*:1]
O=C(NC1CCCC1)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21 c1coc(c1)[*:1] O=C(NC1CCCC1)N1CCc2cc(ccc21)S(=O)(=O)NC[*:1]
O=C(NC1CCCC1)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21 C1CCC(C1)[*:1] O=C(N[*:1])N1CCc2cc(ccc21)S(=O)(=O)NCc1ccco1
NS(=O)(=O)CC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 NS(=O)(=O)[*:1] O=c1ccc(cn1CC[NH+]1CCC(CC1)C[*:1])[N+](=O)[O-]
NS(=O)(=O)CC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 O=[N+]([O-])[*:1] NS(=O)(=O)CC1CC[NH+](CC1)CCn1cc(ccc1=O)[*:1]
NS(=O)(=O)CC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 NS(=O)(=O)C[*:1] O=c1ccc(cn1CC[NH+]1CCC(CC1)[*:1])[N+](=O)[O-]
O=C(Cc1ccc(Cl)cc1)NN1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O Clc1ccc(cc1)[*:1] O=C(C[*:1])NN1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O
CCC1(CNC(=O)N[C@H](C)CC(=O)NC(C)C)CC1 CCC1(CC1)C[*:1] CC(C)NC(=O)C[C@@H](C)NC(=O)N[*:1]
CCC1(CNC(=O)N[C@H](C)CC(=O)NC(C)C)CC1 CC(C)NC(=O)[*:1] CCC1(CC1)CNC(=O)N[C@H](C)C[*:1]
CCC1(CNC(=O)N[C@H](C)CC(=O)NC(C)C)CC1 CC(C)[*:1] CCC1(CC1)CNC(=O)N[C@H](C)CC(=O)N[*:1]
CCC1(CNC(=O)N[C@H](C)CC(=O)NC(C)C)CC1 CCC1(CC1)[*:1] CC(C)NC(=O)C[C@@H](C)NC(=O)NC[*:1]
CC[C@H](C)C[NH2+][C@H]1CCCn2c(C)nnc21 CC[C@H](C)C[*:1] Cc1nnc2[C@H](CCCn12)[NH2+][*:1]
CC[C@H](C)C[NH2+][C@H]1CCCn2c(C)nnc21 CC[C@H](C)[*:1] Cc1nnc2[C@H](CCCn12)[NH2+]C[*:1]
O=C(C1CCN(c2cnccn2)CC1)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)[*:1] O=C(C1CCN(CC1)c1cnccn1)N(CC[*:1])C1CCCC1
O=C(C1CCN(c2cnccn2)CC1)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)C[*:1] O=C(C1CCN(CC1)c1cnccn1)N(C[*:1])C1CCCC1
O=C(C1CCN(c2cnccn2)CC1)N(CCC(F)(F)F)C1CCCC1 c1cnc(cn1)[*:1] O=C(C1CCN(CC1)[*:1])N(CCC(F)(F)F)C1CCCC1
O=C(C1CCN(c2cnccn2)CC1)N(CCC(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] O=C(C1CCN(CC1)c1cnccn1)N(CCC(F)(F)F)[*:1]
O=C(C1CCN(c2cnccn2)CC1)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)CC[*:1] O=C(C1CCN(CC1)c1cnccn1)N(C1CCCC1)[*:1]
CCc1nc2ccccc2n1C1CCN(C(=O)c2cccnc2OC)CC1 COc1ncccc1[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)[*:1]
O=C([O-])CNC(=O)CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O O=C([O-])C[*:1] O=C(CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O)N[*:1]
O=C([O-])CNC(=O)CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O O=C([O-])[*:1] O=C(CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O)NC[*:1]
O=C([O-])CNC(=O)CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O Brc1cccc(c1)[*:1] O=C([O-])CNC(=O)CN1C(=O)SC(=C[*:1])C1=O
O=C([O-])CNC(=O)CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O O=C([O-])CNC(=O)[*:1] O=C1S/C(=C\c2cccc(Br)c2)C(=O)N1C[*:1]
CC(C)(CNC(=O)Cn1c(=O)oc2cc(Cl)ccc21)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)Cn1c(=O)oc2cc(Cl)ccc21)[*:1]
O=C([O-])c1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 O=C([O-])[*:1] O=C(NCc1ccc(cc1)[*:1])c1c(F)cccc1Cl
CCC1CCC(NC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 CCC1CCC(CC1)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)C(=O)N[*:1]
CCC1CCC(NC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 NC(=O)[*:1] CCC1CCC(CC1)NC(=O)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
C#CCNCC(=O)Nc1cccnc1N1CCCC1 C#CCNC[*:1] O=C(Nc1cccnc1N1CCCC1)[*:1]
C#CCNCC(=O)Nc1cccnc1N1CCCC1 C1CCN(C1)[*:1] C#CCNCC(=O)Nc1cccnc1[*:1]
C#CCNCC(=O)Nc1cccnc1N1CCCC1 C#CC[*:1] O=C(CN[*:1])Nc1cccnc1N1CCCC1
C#CCNCC(=O)Nc1cccnc1N1CCCC1 C#CCN[*:1] O=C(C[*:1])Nc1cccnc1N1CCCC1
Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccn(C)n3)ccc2C)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])C(=O)Nc1ccn(C)n1
Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccn(C)n3)ccc2C)c1 Cn1ccc(n1)NC(=O)[*:1] Cc1cccc(c1)NS(=O)(=O)c1cc(ccc1C)[*:1]
Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccn(C)n3)ccc2C)c1 Cn1ccc(n1)[*:1] Cc1cccc(c1)NS(=O)(=O)c1cc(ccc1C)C(=O)N[*:1]
Cc1sc(C(=O)N2CCC3(CC2)OCCO3)cc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(cc1[*:1])C(=O)N1CCC2(CC1)OCCO2
O=C(CCCc1ccccc1)N1CCN(C(=O)Nc2ccc3c(c2)COC3)CC1 c1ccc(cc1)C[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)Nc1ccc2COCc2c1
O=C(CCCc1ccccc1)N1CCN(C(=O)Nc2ccc3c(c2)COC3)CC1 c1cc2COCc2cc1[*:1] O=C(CCCc1ccccc1)N1CCN(CC1)C(=O)N[*:1]
O=C(CCCc1ccccc1)N1CCN(C(=O)Nc2ccc3c(c2)COC3)CC1 c1ccc(cc1)[*:1] O=C(CCC[*:1])N1CCN(CC1)C(=O)Nc1ccc2COCc2c1
O=C(CCCc1ccccc1)N1CCN(C(=O)Nc2ccc3c(c2)COC3)CC1 c1ccc(cc1)CC[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)Nc1ccc2COCc2c1
O=C(CCCc1ccccc1)N1CCN(C(=O)Nc2ccc3c(c2)COC3)CC1 c1ccc(cc1)CCC[*:1] O=C(Nc1ccc2COCc2c1)N1CCN(CC1)C(=O)[*:1]
C[C@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)C(=O)N1CCc2ccccc21 c1csc(c1)[*:1] C[C@H](Sc1nc2scc(c2c(=O)n1C)[*:1])C(=O)N1CCc2ccccc21
COCc1ccc(CN2CCO[C@@H](C(=O)OC)C2)cc1 COC(=O)[*:1] COCc1ccc(cc1)CN1CCO[C@@H](C1)[*:1]
COCc1ccc(CN2CCO[C@@H](C(=O)OC)C2)cc1 COC[*:1] COC(=O)[C@H]1CN(CCO1)Cc1ccc(cc1)[*:1]
C[C@H]1CC(C(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H](C)O1 O=C(NC1CC1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccccc1[*:1]
C[C@H]1CC(C(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H](C)O1 C1CC1[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccccc1C(=O)N[*:1]
COc1cc(C[NH3+])cc(Br)c1OCCC(C)(C)O CC(C)(O)CC[*:1] COc1cc(cc(Br)c1O[*:1])C[NH3+]
COc1cc(C[NH3+])cc(Br)c1OCCC(C)(C)O CC(C)(O)[*:1] COc1cc(cc(Br)c1OCC[*:1])C[NH3+]
COc1cc(C[NH3+])cc(Br)c1OCCC(C)(C)O CC(C)(O)C[*:1] COc1cc(cc(Br)c1OC[*:1])C[NH3+]
C=C(CO)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C C=C(CO)[*:1] C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)[*:1]
COc1cccc(N2CCC[C@H](N[C@H](C)c3cnc(C)s3)C2=O)c1 COc1cccc(c1)[*:1] Cc1ncc(s1)[C@@H](C)N[C@H]1CCCN(C1=O)[*:1]
COc1cccc(N2CCC[C@H](N[C@H](C)c3cnc(C)s3)C2=O)c1 Cc1ncc(s1)[*:1] COc1cccc(c1)N1CCC[C@H](N[C@H](C)[*:1])C1=O
C[C@@H]([NH2+]Cc1ccccc1F)c1cccc2ccccc12 Fc1ccccc1[*:1] C[C@@H]([NH2+]C[*:1])c1cccc2ccccc12
COC(=O)c1ccc(CNC(=O)c2cnc(C)cn2)cc1 COC(=O)[*:1] Cc1cnc(cn1)C(=O)NCc1ccc(cc1)[*:1]
COC(=O)c1ccc(CNC(=O)c2cnc(C)cn2)cc1 Cc1cnc(cn1)[*:1] COC(=O)c1ccc(cc1)CNC(=O)[*:1]
O=C1/C(=C/c2ccc[nH]2)c2ccccc2N1c1ccccc1 c1c[nH]c(c1)[*:1] O=C1C(=C[*:1])c2ccccc2N1c1ccccc1
O=C1/C(=C/c2ccc[nH]2)c2ccccc2N1c1ccccc1 c1ccc(cc1)[*:1] O=C1/C(=C/c2ccc[nH]2)c2ccccc2N1[*:1]
COc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3cc(C)on3)nc12 c1coc(c1)C[*:1] COc1ccc(Cl)c2sc(nc12)N(C(=O)c1cc(C)on1)[*:1]
COc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3cc(C)on3)nc12 c1coc(c1)[*:1] COc1ccc(Cl)c2sc(nc12)N(C[*:1])C(=O)c1cc(C)on1
COc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3cc(C)on3)nc12 Cc1cc(no1)[*:1] COc1ccc(Cl)c2sc(nc12)N(Cc1ccco1)C(=O)[*:1]
O=C(c1cccc(O)c1)N1CC[NH+](C2CCC(c3ccc(O)cc3)CC2)CC1 Oc1cccc(c1)[*:1] O=C(N1CC[NH+](CC1)C1CCC(CC1)c1ccc(O)cc1)[*:1]
O=C(c1cccc(O)c1)N1CC[NH+](C2CCC(c3ccc(O)cc3)CC2)CC1 Oc1ccc(cc1)[*:1] O=C(c1cccc(O)c1)N1CC[NH+](CC1)C1CCC(CC1)[*:1]
CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 c1ccc(cc1)C[*:1] CCn1c(nnc1[*:1])S[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1
CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 c1ccc(cc1)[*:1] CCn1c(C[*:1])nnc1S[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1
C[C@H](OC(=O)C(C)(C)F)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@H](OC(=O)C(C)(C)F)c1nc2ccccc2n1[*:1]
C[C@H](OC(=O)C(C)(C)F)c1nc2ccccc2n1C(F)F CC(C)(F)C(=O)O[*:1] C[C@H](c1nc2ccccc2n1C(F)F)[*:1]
C[C@H](OC(=O)C(C)(C)F)c1nc2ccccc2n1C(F)F CC(C)(F)[*:1] C[C@H](OC(=O)[*:1])c1nc2ccccc2n1C(F)F
CC[NH2+][C@H](c1ccc(OC)cc1C)C(C)(C)OC COC(C)(C)[*:1] CC[NH2+][C@H](c1ccc(cc1C)OC)[*:1]
C[C@@H](NC(=O)C(C)(C)C)c1nc2ccccc2n1CC(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(C)(C)C)c1nc2ccccc2n1CC(=O)N(C)[*:1]
C[C@@H](NC(=O)C(C)(C)C)c1nc2ccccc2n1CC(=O)N(C)c1ccccc1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)N(C)c1ccccc1
C[C@@H](NC(=O)C(C)(C)C)c1nc2ccccc2n1CC(=O)N(C)c1ccccc1 CC(C)(C)C(=O)N[*:1] C[C@@H](c1nc2ccccc2n1CC(=O)N(C)c1ccccc1)[*:1]
CC[C@H](C)c1ccccc1NC(=O)CSc1nnnn1-c1cccc(C)c1 CC[C@H](C)[*:1] Cc1cccc(c1)-n1nnnc1SCC(=O)Nc1ccccc1[*:1]
CC[C@H](C)c1ccccc1NC(=O)CSc1nnnn1-c1cccc(C)c1 Cc1cccc(c1)[*:1] CC[C@H](C)c1ccccc1NC(=O)CSc1nnnn1[*:1]
Cc1cc(Nc2nncs2)nc([C@H]2CCCN(C(=O)C[NH+](C)C)C2)n1 c1nnc(s1)[*:1] Cc1cc(nc(n1)[C@H]1CCCN(C1)C(=O)C[NH+](C)C)N[*:1]
Cc1cc(Nc2nncs2)nc([C@H]2CCCN(C(=O)C[NH+](C)C)C2)n1 c1nnc(N[*:1])s1 Cc1cc(nc(n1)[C@H]1CCCN(C1)C(=O)C[NH+](C)C)[*:1]
COCC[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(F)cc1 COCC[*:1] O[C@]1(CCOC1)C[NH2+][C@@H](c1ccc(F)cc1)[*:1]
COCC[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(F)cc1 COC[*:1] O[C@]1(CCOC1)C[NH2+][C@H](C[*:1])c1ccc(F)cc1
COc1cccc([C@H](CO)NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 O=C1CCCN1[*:1] COc1cccc(c1)[C@H](CO)NC(=O)Cc1ccc(cc1)[*:1]
COc1cccc([C@H](CO)NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 COc1cccc(c1)[*:1] O=C(Cc1ccc(cc1)N1CCCC1=O)N[C@@H](CO)[*:1]
CC(C)(C)O[C@H]1CC[C@]23O[C@@H]2OC(=O)CC[C@]13C CC(C)(C)O[*:1] C[C@]12CCC(=O)O[C@H]3O[C@@]31CC[C@@H]2[*:1]
CC(C)(C)O[C@H]1CC[C@]23O[C@@H]2OC(=O)CC[C@]13C CC(C)(C)[*:1] C[C@]12CCC(=O)O[C@H]3O[C@@]31CC[C@@H]2O[*:1]
CC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)c(F)c1 CC(=O)[*:1] O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N1CCN(CC1)c1ccc(cc1F)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)c(F)c1 Fc1cccc(c1)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)N[C@@H]1C[C@H]1[*:1]
CC(C)(C)[C@H](C#N)NC(=O)c1cc2c([nH]c1=O)CCCC2 CC(C)(C)[*:1] N#C[C@H](NC(=O)c1cc2CCCCc2[nH]c1=O)[*:1]
CC(C)[C@@H](C)CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 CC(C)[*:1] C[C@@H](CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21)[*:1]
CC(C)[C@@H](C)CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 NC(=O)[*:1] CC(C)[C@@H](C)CC(=O)N1CC[C@@H](c2ccccc21)[*:1]
CC(C)[C@@H](C)CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 CC(C)[C@@H](C)C[*:1] NC(=O)[C@@H]1CCN(C(=O)[*:1])c2ccccc21
CC(C)[C@@H](C)CC(=O)N1CC[C@@H](C(N)=O)c2ccccc21 CC(C)[C@@H](C)[*:1] NC(=O)[C@@H]1CCN(C(=O)C[*:1])c2ccccc21
COc1ccc(S(=O)(=O)N(C)c2ccccc2F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)[*:1])S(=O)(=O)N(C)c1ccccc1F
COc1ccc(S(=O)(=O)N(C)c2ccccc2F)c([N+](=O)[O-])c1 Fc1ccccc1[*:1] COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N(C)[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)NCCn2cccc2)cc1 CC[C@@H](C)O[*:1] O=C(NCCn1cccc1)Nc1ccc(cc1)[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)NCCn2cccc2)cc1 c1ccn(c1)C[*:1] CC[C@@H](C)Oc1ccc(cc1)NC(=O)NC[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)NCCn2cccc2)cc1 CC[C@@H](C)[*:1] O=C(NCCn1cccc1)Nc1ccc(cc1)O[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)NCCn2cccc2)cc1 c1ccn(c1)[*:1] CC[C@@H](C)Oc1ccc(cc1)NC(=O)NCC[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)NCCn2cccc2)cc1 c1ccn(c1)CC[*:1] CC[C@@H](C)Oc1ccc(cc1)NC(=O)N[*:1]
CN(C[C@@H](O)COCc1ccccc1)c1ncnc2[nH]ccc12 c1ccc(cc1)C[*:1] CN(C[C@@H](O)CO[*:1])c1ncnc2[nH]ccc12
CN(C[C@@H](O)COCc1ccccc1)c1ncnc2[nH]ccc12 c1ccc(cc1)[*:1] CN(C[C@@H](O)COC[*:1])c1ncnc2[nH]ccc12
CCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@]12C(=O)N(C)c1ccccc12 CCC[*:1] Cc1cc2oc3C(=O)N([C@]4(C(=O)N(C)c5ccccc54)c3c(=O)c2cc1C)[*:1]
COC(=O)c1cc(C#N)c(=O)n(CCCc2ccc(Cl)cc2)c1 COC(=O)[*:1] N#Cc1cc(cn(CCCc2ccc(Cl)cc2)c1=O)[*:1]
COC(=O)c1cc(C#N)c(=O)n(CCCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COC(=O)c1cc(C#N)c(=O)n(c1)CCC[*:1]
CC[C@H](C(=O)NNC(=O)c1ccc(OC)nn1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)NNC(=O)c1ccc(nn1)OC)[*:1]
C/C(=C/C(=O)N(C)[C@H](C)c1cc(F)ccc1F)C(C)(C)C CC(=C[*:1])C(C)(C)C C[C@H](c1cc(F)ccc1F)N(C)C(=O)[*:1]
C/C(=C/C(=O)N(C)[C@H](C)c1cc(F)ccc1F)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)N(C)[C@H](C)c1cc(F)ccc1F)[*:1]
C[C@@H](Nc1ccccc1)C(=O)NCc1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@@H](N[*:1])C(=O)NCc1ccc(Cl)cc1
CC[C@@H](C)Oc1ccccc1C[NH2+]Cc1ccco1 c1coc(c1)C[*:1] CC[C@@H](C)Oc1ccccc1C[NH2+][*:1]
CC[C@@H](C)Oc1ccccc1C[NH2+]Cc1ccco1 CC[C@@H](C)[*:1] c1coc(c1)C[NH2+]Cc1ccccc1O[*:1]
CC[C@@H](C)Oc1ccccc1C[NH2+]Cc1ccco1 c1coc(c1)[*:1] CC[C@@H](C)Oc1ccccc1C[NH2+]C[*:1]
CC[C@@H](C)Oc1ccccc1C[NH2+]Cc1ccco1 CC[C@@H](C)O[*:1] c1coc(c1)C[NH2+]Cc1ccccc1[*:1]
CC(C)[NH2+]CCN1C[C@H](C)O[C@H](C)C1 CC(C)[*:1] C[C@H]1CN(CC[NH2+][*:1])C[C@@H](C)O1
O=S1(=O)CC[C@H](N(Cc2[nH+]ccn2CC(F)(F)F)C2CC2)C1 C1CC1[*:1] O=S1(=O)CC[C@@H](C1)N(Cc1[nH+]ccn1CC(F)(F)F)[*:1]
O=S1(=O)CC[C@H](N(Cc2[nH+]ccn2CC(F)(F)F)C2CC2)C1 FC(F)(F)[*:1] O=S1(=O)CC[C@@H](C1)N(Cc1[nH+]ccn1C[*:1])C1CC1
O=S1(=O)CC[C@H](N(Cc2[nH+]ccn2CC(F)(F)F)C2CC2)C1 FC(F)(F)C[*:1] O=S1(=O)CC[C@@H](C1)N(Cc1[nH+]ccn1[*:1])C1CC1
O=S1(=O)CC[C@H](N(Cc2[nH+]ccn2CC(F)(F)F)C2CC2)C1 O=S1(=O)CC[C@H](C1)[*:1] FC(F)(F)Cn1cc[nH+]c1CN(C1CC1)[*:1]
COc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CCOCC2)cc1C FC(F)(F)[*:1] COc1ccc(cc1C)S(=O)(=O)N(C[*:1])C1CCOCC1
COc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CCOCC2)cc1C FC(F)(F)C[*:1] COc1ccc(cc1C)S(=O)(=O)N(C1CCOCC1)[*:1]
COc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CCOCC2)cc1C C1CC(CCO1)[*:1] COc1ccc(cc1C)S(=O)(=O)N(CC(F)(F)F)[*:1]
CC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1O CC(=O)[*:1] NC(=O)[C@@H]1CCCN(C1)c1ccc(c(O)c1)[*:1]
CC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1O NC(=O)[*:1] CC(=O)c1ccc(cc1O)N1CCC[C@@H](C1)[*:1]
CCN(Cc1cccc2c1OCO2)C(=O)Cc1ccn(C(C)C)n1 CC(C)[*:1] CCN(Cc1cccc2OCOc12)C(=O)Cc1ccn(n1)[*:1]
CCN(Cc1cccc2c1OCO2)C(=O)Cc1ccn(C(C)C)n1 CC(C)n1ccc(n1)[*:1] CCN(Cc1cccc2OCOc12)C(=O)C[*:1]
Cc1ccc([C@H]2COCCN2Cc2cnn3c2NCCC3)o1 Cc1ccc(o1)[*:1] c1nn2CCCNc2c1CN1CCOC[C@@H]1[*:1]
Fc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1F FC(F)(F)[*:1] Fc1ccc(cc1F)NC(=S)Nc1ccc(cc1)[*:1]
CNC(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1 CNC(=O)[*:1] O=C(Cc1ccccc1Cl)Nc1cccc(c1)[*:1]
CNC(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] CNC(=O)c1cccc(c1)NC(=O)C[*:1]
Cc1csc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)cs2)n1 Clc1ccc(c(Cl)c1)[*:1] Cc1csc(n1)NC(=O)CSc1nc(cs1)[*:1]
Cc1csc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)cs2)n1 Cc1csc(n1)[*:1] O=C(CSc1nc(cs1)-c1ccc(Cl)cc1Cl)N[*:1]
CC(C)C(=O)N1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCN(CC1)C(=O)[*:1]
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)n1 c1ccc(cc1)O[*:1] Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)[C@H](C)[*:1]
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)n1 C[C@H](Oc1ccccc1)[*:1] Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)[C@H](C)O[*:1]
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)n1 Cc1cc(C)nc(n1)[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CNc1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1 c1ccc(cc1)[*:1] CNc1nc(nc(n1)N1CCOCC1)OCCNC(=O)N[*:1]
CNc1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] CNc1nc(nc(n1)[*:1])OCCNC(=O)Nc1ccccc1
CCNc1cc(C)ccc1C(=O)N(C)CC(F)(F)F FC(F)(F)[*:1] CCNc1cc(C)ccc1C(=O)N(C)C[*:1]
CCNc1cc(C)ccc1C(=O)N(C)CC(F)(F)F CCN[*:1] Cc1ccc(C(=O)N(C)CC(F)(F)F)c(c1)[*:1]
CCNc1cc(C)ccc1C(=O)N(C)CC(F)(F)F FC(F)(F)C[*:1] CCNc1cc(C)ccc1C(=O)N(C)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](c1ncccc1C)C(C)C Cc1cccnc1[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N[C@H](C(C)C)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](c1ncccc1C)C(C)C CC(C)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N[C@H](c1ncccc1C)[*:1]
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NCC1CCC(C)(C)CC1 CC1(C)CCC(CC1)C[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[*:1])-c1ncccn1
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NCC1CCC(C)(C)CC1 c1cnc(nc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)NCC1CCC(C)(C)CC1)[*:1]
Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NCC1CCC(C)(C)CC1 CC1(C)CCC(CC1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)NC[*:1])-c1ncccn1
Cn1cnn(-c2ccc(NC(=O)c3ncncc3Cl)cc2)c1=O Cn1cnn(c1=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ncncc1Cl
Cn1cnn(-c2ccc(NC(=O)c3ncncc3Cl)cc2)c1=O Clc1cncnc1[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)[*:1])c1=O
O=C(NCc1ccnc(OCC(F)F)c1)c1cn2cccnc2n1 FC(F)[*:1] O=C(NCc1ccnc(c1)OC[*:1])c1cn2cccnc2n1
O=C(NCc1ccnc(OCC(F)F)c1)c1cn2cccnc2n1 FC(F)C[*:1] O=C(NCc1ccnc(c1)O[*:1])c1cn2cccnc2n1
O=C(NCc1ccnc(OCC(F)F)c1)c1cn2cccnc2n1 FC(F)CO[*:1] O=C(NCc1ccnc(c1)[*:1])c1cn2cccnc2n1
Cc1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)N[*:1])c1
Cc1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)c(C)c1 Cc1ccc(NC(=O)[*:1])c(C)c1 C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2C[*:1])c1
CSc1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)s1 c1ccc(cc1)[*:1] CSc1nnc(S[C@H](C)C(=O)N(C)[*:1])s1
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1[*:1]
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc(F)c1 COc1ccc(F)cc1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(F)c2)N1CC[NH+]1CCCC1
CC(C)[C@H](C)NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] CC(C)[C@H](C)NC(=O)Cn1c(nc2ccccc21)[*:1]
CC(C)[C@H](C)NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 CC(C)[C@H](C)[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)N[*:1]
CC(C)[C@H](C)NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 CC(C)[*:1] C[C@H](NC(=O)Cn1c(nc2ccccc21)C(F)(F)F)[*:1]
CC[C@H](C)[C@H](NC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1)C(N)=O CC[C@H](C)[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)N[C@H](C(N)=O)[*:1]
CC[C@H](C)[C@H](NC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1)C(N)=O Cc1ccc(C)c(c1)[*:1] CC[C@H](C)[C@H](NC(=O)C1CCC(=O)N(N=1)[*:1])C(N)=O
CC[C@H](C)[C@H](NC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)C1CCC(=O)N(N=1)c1cc(C)ccc1C)[*:1]
COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2[*:1])cc1
CC(C)c1nc(C(=O)Nc2cccnc2)n[nH]1 CC(C)[*:1] O=C(Nc1cccnc1)c1n[nH]c(n1)[*:1]
COCC[C@H](C)C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 COC[*:1] CC(=O)Nc1ccc(-c2csc(n2)NC(=O)[C@@H](C)C[*:1])c(F)c1
COCC[C@H](C)C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 COCC[*:1] CC(=O)Nc1ccc(-c2csc(n2)NC(=O)[C@@H](C)[*:1])c(F)c1
COCC[C@H](C)C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 CC(=O)N[*:1] COCC[C@H](C)C(=O)Nc1nc(cs1)-c1ccc(cc1F)[*:1]
CC(C)Cn1cc(NC(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cn1 CC(C)C[*:1] CN(C)C(=O)c1ccc(Cl)c(c1)NC(=O)Nc1cnn(c1)[*:1]
CC(C)Cn1cc(NC(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cn1 CC(C)[*:1] CN(C)C(=O)c1ccc(Cl)c(c1)NC(=O)Nc1cnn(c1)C[*:1]
CC(C)Cn1cc(NC(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cn1 CN(C)C(=O)[*:1] CC(C)Cn1cc(cn1)NC(=O)Nc1cc(ccc1Cl)[*:1]
CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1C FC(F)(F)[*:1] CNC(=O)c1cc(ccc1C)S(=O)(=O)Nc1cccc(c1)[*:1]
CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1C CNC(=O)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Nc1cccc(c1)C(F)(F)F
CCN(c1cccc(C)c1)c1ncnc(N2CCCC[C@@H]2C)c1[N+](=O)[O-] Cc1cccc(c1)[*:1] CCN(c1ncnc(c1[N+](=O)[O-])N1CCCC[C@@H]1C)[*:1]
CCN(c1cccc(C)c1)c1ncnc(N2CCCC[C@@H]2C)c1[N+](=O)[O-] C[C@H]1CCCCN1[*:1] CCN(c1cccc(C)c1)c1ncnc(c1[N+](=O)[O-])[*:1]
CCN(c1cccc(C)c1)c1ncnc(N2CCCC[C@@H]2C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(c1cccc(C)c1)c1ncnc(c1[*:1])N1CCCC[C@@H]1C
C[C@@H](Sc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccs1 c1csc(c1)[*:1] C[C@@H](Sc1ccc(cc1)-c1ccccc1)C(=O)NC[*:1]
C[C@@H](Sc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccs1 c1csc(c1)C[*:1] C[C@@H](Sc1ccc(cc1)-c1ccccc1)C(=O)N[*:1]
C[C@@H](Sc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccs1 c1ccc(cc1)[*:1] C[C@@H](Sc1ccc(cc1)[*:1])C(=O)NCc1cccs1
Cc1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1
Cc1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nc1-c1ccccc1 O=S(=O)(N1CCCCC1)[*:1] Cc1sc(nc1-c1ccccc1)NC(=O)c1cccc(c1)[*:1]
C=CCNc1nc(Nc2ccc3c(c2)OCO3)[nH+]c2ccccc12 C=CC[*:1] c1ccc2c(nc(Nc3ccc4OCOc4c3)[nH+]c2c1)N[*:1]
C=CCNc1nc(Nc2ccc3c(c2)OCO3)[nH+]c2ccccc12 C=CCN[*:1] c1ccc2c(nc(Nc3ccc4OCOc4c3)[nH+]c2c1)[*:1]
CCc1nc(-c2ccc(C(=O)NCc3cccnc3)cc2)cs1 c1cncc(c1)C[*:1] CCc1nc(cs1)-c1ccc(cc1)C(=O)N[*:1]
CCc1nc(-c2ccc(C(=O)NCc3cccnc3)cc2)cs1 CCc1nc(cs1)[*:1] O=C(NCc1cccnc1)c1ccc(cc1)[*:1]
CCc1nc(-c2ccc(C(=O)NCc3cccnc3)cc2)cs1 c1cncc(c1)[*:1] CCc1nc(cs1)-c1ccc(cc1)C(=O)NC[*:1]
O=C1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N1c1cccc(Br)c1)[NH+]1CCN(CC1)[*:1]
O=C1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C1C[C@H](C(=O)N1[*:1])[NH+]1CCN(CC1)c1ccccc1
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc2ccccc12 COC[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)OC[*:1])c1cccc2ccccc12
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc2ccccc12 COCCOC(=O)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1[*:1])c1cccc2ccccc12
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc2ccccc12 COCC[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)O[*:1])c1cccc2ccccc12
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] COCCOC(=O)C1=C(C)NC2CC(C)(C)CC(=O)C=2[C@H]1[*:1]
CCc1ccsc1C(=O)[C@H](C#N)c1cccs1 c1csc(c1)[*:1] CCc1ccsc1C(=O)[C@H](C#N)[*:1]
CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCCCc1nnn[n-]1)CO2 CN(C)C(=O)[*:1] CN1c2cc(ccc2OC[C@H]1CC(=O)NCCCc1nnn[n-]1)[*:1]
Cn1c(C2CC2)nc2cc(NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)ccc21 c1n[nH]cc1[*:1] Cn1c(nc2cc(ccc21)NC(=O)[C@H]1CC(=O)N(C1)[*:1])C1CC1
Cn1c(C2CC2)nc2cc(NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)[C@H]1CC(=O)N(C1)c1cn[nH]c1)[*:1]
O=C([O-])c1ccccc1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=C([O-])[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1[*:1]
C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(Cl)c(Cl)c1Cl Cn1cc(cn1)[*:1] C[C@H](N[C@@H](CO)[*:1])c1ccc(Cl)c(Cl)c1Cl
CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)c1ccc3c(c1)OCCO3)O2 c1cc2OCCOc2cc1[*:1] CC(=O)c1ccccc1-c1ccc2O[C@@H](CNC(=O)[*:1])Cc2c1
CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)c1ccc3c(c1)OCCO3)O2 CC(=O)[*:1] O=C(NC[C@H]1Cc2cc(ccc2O1)-c1ccccc1[*:1])c1ccc2OCCOc2c1
CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)c1ccc3c(c1)OCCO3)O2 CC(=O)c1ccccc1[*:1] O=C(NC[C@H]1Cc2cc(ccc2O1)[*:1])c1ccc2OCCOc2c1
Cc1ccncc1NC(=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C Fc1ccc(cc1)[*:1] Cc1ccncc1NC(=O)C(=O)N[C@@H](C[*:1])C(C)C
Cc1ccncc1NC(=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C Fc1ccc(cc1)C[*:1] Cc1ccncc1NC(=O)C(=O)N[C@@H](C(C)C)[*:1]
Cc1ccncc1NC(=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C CC(C)[*:1] Cc1ccncc1NC(=O)C(=O)N[C@@H](Cc1ccc(F)cc1)[*:1]
Cc1ccncc1NC(=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C Cc1ccncc1[*:1] CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)C(=O)N[*:1]
CCC[C@H](C#N)NC(=O)[C@H]1CCCN1S(=O)(=O)CCC CCC[*:1] CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C#N)[*:1]
CCC[C@H](C#N)NC(=O)[C@H]1CCCN1S(=O)(=O)CCC CCC[*:1] CCC[C@H](C#N)NC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
CCC[C@H](C#N)NC(=O)[C@H]1CCCN1S(=O)(=O)CCC CCC[C@H](C#N)[*:1] CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[*:1]
C[C@H](CNC(=O)Cc1ccc[nH]1)Oc1ccccc1Br c1c[nH]c(c1)C[*:1] C[C@H](CNC(=O)[*:1])Oc1ccccc1Br
C[C@H](CNC(=O)Cc1ccc[nH]1)Oc1ccccc1Br c1c[nH]c(c1)[*:1] C[C@H](CNC(=O)C[*:1])Oc1ccccc1Br
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] CCCOc1ccc(/C=C(\C#N)C(=O)N[*:1])cc1
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1 CCCO[*:1] N#C/C(=C\c1ccc(cc1)[*:1])C(=O)Nc1ccccc1
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1 CCC[*:1] N#C/C(=C\c1ccc(cc1)O[*:1])C(=O)Nc1ccccc1
C=CC[NH2+]CC(=O)N[C@@H](C)[C@H]1CCCO1 C=CC[*:1] C[C@H](NC(=O)C[NH2+][*:1])[C@H]1CCCO1
C=CC[NH2+]CC(=O)N[C@@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C=CC[NH2+]CC(=O)N[C@@H](C)[*:1]
C[C@@H]([C@H](C)C[NH2+]C1CC1)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([C@H](C)C[NH2+]C1CC1)N(C)C[*:1]
C[C@@H]([C@H](C)C[NH2+]C1CC1)N(C)Cc1ccccc1 C1CC1[*:1] C[C@@H]([C@H](C)C[NH2+][*:1])N(C)Cc1ccccc1
Cc1cc(C)c2nc(N(C[C@@H]3CCCO3)C(=O)CS(=O)(=O)Cc3ccccc3)sc2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)CS(=O)(=O)C[*:1]
Cc1cc(C)c2nc(N(C[C@@H]3CCCO3)C(=O)CS(=O)(=O)Cc3ccccc3)sc2c1 O=S(=O)(Cc1ccccc1)[*:1] Cc1cc(C)c2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)C[*:1]
Cc1cc(C)c2nc(N(C[C@@H]3CCCO3)C(=O)CS(=O)(=O)Cc3ccccc3)sc2c1 c1ccc(cc1)C[*:1] Cc1cc(C)c2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)CS(=O)(=O)[*:1]
c1cncc(-c2ncc(CN3CCC[C@@H](C[NH+]4CCCCCC4)C3)s2)c1 c1cncc(c1)[*:1] c1nc(sc1CN1CCC[C@H](C1)C[NH+]1CCCCCC1)[*:1]
CON(C)C(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1 CON(C)C(=O)C[*:1] CN([C@H]1CCCN(C1)c1ccccc1)[*:1]
CON(C)C(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CON(C)C(=O)CN(C)[C@H]1CCCN(C1)[*:1]
CON(C)C(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1 CON(C)C(=O)[*:1] CN(C[*:1])[C@H]1CCCN(C1)c1ccccc1
O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccsc2)CC1 c1cc(cs1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CC1)C[*:1]
O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccsc2)CC1 c1cc(cs1)C[*:1] O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](CC1)[*:1]
Cc1nccn1Cc1cccc(CNC(=O)Nc2ccc3c(c2)COC3)c1 Cc1nccn1[*:1] O=C(NCc1cccc(c1)C[*:1])Nc1ccc2COCc2c1
Cc1nccn1Cc1cccc(CNC(=O)Nc2ccc3c(c2)COC3)c1 Cc1nccn1C[*:1] O=C(NCc1cccc(c1)[*:1])Nc1ccc2COCc2c1
Cc1nccn1Cc1cccc(CNC(=O)Nc2ccc3c(c2)COC3)c1 c1cc2COCc2cc1[*:1] Cc1nccn1Cc1cccc(c1)CNC(=O)N[*:1]
Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N(C)C)c2)c1 CN(C)[*:1] Cc1ccc(C)c(c1)NC(=O)COC(=O)c1cccc(c1)[*:1]
Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N(C)C)c2)c1 Cc1ccc(C)c(c1)[*:1] CN(C)c1cccc(c1)C(=O)OCC(=O)N[*:1]
O=C(C=C1CCSCC1)NCc1cccc(C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] O=C(C=C1CCSCC1)NCc1cccc(c1)C(=O)NC[*:1]
O=C(C=C1CCSCC1)NCc1cccc(C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] O=C(C=C1CCSCC1)NCc1cccc(c1)C(=O)N[*:1]
Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1C[C@H](n2ncnc2N1C(=O)c1ccccc1[N+](=O)[O-])[*:1]
Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])c1ccccc1[*:1] Cc1ccc(cc1)[C@@H]1C[C@H](c2ccccc2)n2ncnc2N1C(=O)[*:1]
Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@@H]1C[C@H](c2ccccc2)n2ncnc2N1C(=O)c1ccccc1[*:1]
Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@H](C[C@H]1[*:1])c1ccccc1
CCN1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2C)CC1 O=[N+]([O-])[*:1] CCN1CC[NH+](CCCNc2ncc(cc2C)[*:1])CC1
CCOc1nnc(CN2CCN(C(=O)c3ccoc3)CC2)s1 CCO[*:1] O=C(c1ccoc1)N1CCN(CC1)Cc1nnc(s1)[*:1]
CCOc1nnc(CN2CCN(C(=O)c3ccoc3)CC2)s1 c1cc(co1)[*:1] CCOc1nnc(CN2CCN(CC2)C(=O)[*:1])s1
Cc1ccc(C)n1NCCC(C)(C)O CC(C)(O)[*:1] Cc1ccc(C)n1NCC[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 Cc1cccc(C)c1[*:1] O=C(CNC(=O)C1CCN(CC1)C(=O)c1ccc(Br)cc1)N[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)C1CCN(CC1)C(=O)[*:1]
COC[C@@H](C)OC(=O)c1nnn(-c2ccc(C)cc2)c1C COC[*:1] Cc1ccc(cc1)-n1nnc(C(=O)O[C@H](C)[*:1])c1C
COC[C@@H](C)OC(=O)c1nnn(-c2ccc(C)cc2)c1C Cc1ccc(cc1)[*:1] COC[C@@H](C)OC(=O)c1nnn(c1C)[*:1]
COC[C@@H](C)OC(=O)c1nnn(-c2ccc(C)cc2)c1C COC[C@@H](C)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)O[*:1])c1C
O=C(Nc1cccc(-c2noc(C3CCC3)n2)c1)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(Nc1cccc(c1)-c1noc(n1)C1CCC1)N[*:1]
O=C(Nc1cccc(-c2noc(C3CCC3)n2)c1)Nc1ccc(F)c(Cl)c1 C1CC(C1)[*:1] O=C(Nc1cccc(c1)-c1noc(n1)[*:1])Nc1ccc(F)c(Cl)c1
O=C(Nc1cccc(-c2noc(C3CCC3)n2)c1)Nc1ccc(F)c(Cl)c1 C1CC(C1)c1nc(no1)[*:1] O=C(Nc1cccc(c1)[*:1])Nc1ccc(F)c(Cl)c1
O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCN(CCO)CC1 OCC[*:1] O=C(/C=C/c1ccc(cc1)N1CCCC1=O)N1CCN(CC1)[*:1]
O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCN(CCO)CC1 O=C1CCCN1[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCN(CCO)CC1
CCN(CCOC)C[C@H]1CCCC(C)(C)[C@@H]1[NH3+] COC[*:1] CCN(C[C@H]1CCCC(C)(C)[C@@H]1[NH3+])C[*:1]
CCN(CCOC)C[C@H]1CCCC(C)(C)[C@@H]1[NH3+] COCC[*:1] CCN(C[C@H]1CCCC(C)(C)[C@@H]1[NH3+])[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1nc(C(F)(F)F)n[n-]1 FC(F)(F)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1nc(n[n-]1)[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1nc(C(F)(F)F)n[n-]1 Clc1ccc(cc1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](N1c1nc(n[n-]1)C(F)(F)F)[*:1]
CC[C@](C)(C(=O)[O-])n1nnnc1Cc1cccc(Cl)c1 O=C([O-])[*:1] CC[C@](C)(n1nnnc1Cc1cccc(Cl)c1)[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc3c(cc1Br)OCO3)n2C CCCC[*:1] Cn1c(nc2c1c(=O)[nH]c(=O)n2[*:1])-c1cc2OCOc2cc1Br
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc3c(cc1Br)OCO3)n2C CCC[*:1] Cn1c(nc2c1c(=O)[nH]c(=O)n2C[*:1])-c1cc2OCOc2cc1Br
C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[NH+](CCCO)CC1 OCC[*:1] C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[NH+](CC1)C[*:1]
C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[NH+](CCCO)CC1 OCCC[*:1] C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[NH+](CC1)[*:1]
C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[NH+](CCCO)CC1 CC(C)(C)[*:1] C[C@H](C(=O)NC(=O)N[*:1])N1CC[NH+](CCCO)CC1
CC(C)[C@H](O)CCNC(=O)N[C@H](C)c1ccc(Cl)cc1 CC(C)[C@H](O)[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccc(Cl)cc1
CC(C)[C@H](O)CCNC(=O)N[C@H](C)c1ccc(Cl)cc1 CC(C)[C@H](O)C[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(Cl)cc1
CC(C)[C@H](O)CCNC(=O)N[C@H](C)c1ccc(Cl)cc1 CC(C)[*:1] C[C@@H](NC(=O)NCC[C@@H](O)[*:1])c1ccc(Cl)cc1
O=C(CCc1ccccc1)N(Cc1ccsc1)C1CC1 c1ccc(cc1)[*:1] O=C(CC[*:1])N(Cc1ccsc1)C1CC1
O=C(CCc1ccccc1)N(Cc1ccsc1)C1CC1 c1cc(cs1)C[*:1] O=C(CCc1ccccc1)N(C1CC1)[*:1]
O=C(CCc1ccccc1)N(Cc1ccsc1)C1CC1 C1CC1[*:1] O=C(CCc1ccccc1)N(Cc1ccsc1)[*:1]
O=C(CCc1ccccc1)N(Cc1ccsc1)C1CC1 c1cc(cs1)[*:1] O=C(CCc1ccccc1)N(C[*:1])C1CC1
COc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N1C[C@@H](C)C[C@@H](C)C1
CCCn1cc[nH+]c1CC[C@@H]1C[C@@H](C)Nc2ccccc21 CCC[*:1] C[C@@H]1C[C@@H](CCc2[nH+]ccn2[*:1])c2ccccc2N1
C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 Fc1ccccc1[*:1] C[C@@H](C[*:1])C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C
C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(F)c(c1)[*:1]
C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 Fc1ccccc1C[*:1] C[C@@H](C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C)[*:1]
O=C1CCC(=O)N1C(=O)C(F)(F)F FC(F)(F)[*:1] O=C1CCC(=O)N1C(=O)[*:1]
Cc1ccc(CN(C(=O)COc2c(C)cc(C)cc2C)[C@H]2CCS(=O)(=O)C2)cc1 Cc1cc(C)c(c(C)c1)[*:1] Cc1ccc(cc1)CN(C(=O)CO[*:1])[C@H]1CCS(=O)(=O)C1
Cc1ccc(CN(C(=O)COc2c(C)cc(C)cc2C)[C@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c(OCC(=O)N(C[*:1])[C@H]2CCS(=O)(=O)C2)c(C)c1
Cc1ccc(CN(C(=O)COc2c(C)cc(C)cc2C)[C@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(C)c(OCC(=O)N([C@H]2CCS(=O)(=O)C2)[*:1])c(C)c1
Cc1ccc(C)n1N[C@@H](c1ccco1)c1[nH+]ccn1C c1coc(c1)[*:1] Cc1ccc(C)n1N[C@@H](c1[nH+]ccn1C)[*:1]
COc1ccc2c(c1)CCC1=C2N=N[C@H]1c1nc(-c2ccccc2Cl)no1 Clc1ccccc1[*:1] COc1ccc2C3N=N[C@H](C=3CCc2c1)c1nc(no1)[*:1]
CC[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)[*:1]
CC[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)c1nc(C)cs1 Clc1ncccc1[*:1] CC[C@@H](NC(=O)C(=O)N[*:1])c1nc(C)cs1
CCOCCC(=O)NCc1sccc1CC CCOC[*:1] CCc1ccsc1CNC(=O)C[*:1]
CCOCCC(=O)NCc1sccc1CC CCOCC[*:1] CCc1ccsc1CNC(=O)[*:1]
CCOCCC(=O)NCc1sccc1CC CCO[*:1] CCc1ccsc1CNC(=O)CC[*:1]
CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 CCC[*:1] O=C(NC[*:1])C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1
CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 CCCC[*:1] O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)C(=O)N[*:1]
CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1[*:1]
CCCOc1ccc(CNC(=O)NNC(=O)c2ccccc2Cl)cc1 CCC[*:1] O=C(NCc1ccc(cc1)O[*:1])NNC(=O)c1ccccc1Cl
CCCOc1ccc(CNC(=O)NNC(=O)c2ccccc2Cl)cc1 CCCO[*:1] O=C(NCc1ccc(cc1)[*:1])NNC(=O)c1ccccc1Cl
CCCOc1ccc(CNC(=O)NNC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCCOc1ccc(cc1)CNC(=O)NNC(=O)[*:1]
O=c1n(CCN2CCO[C@H](c3cccc(F)c3)C2)nc2ccccn12 Fc1cccc(c1)[*:1] O=c1n(CCN2CCO[C@H](C2)[*:1])nc2ccccn12
COc1ccccc1N1C[C@H](C(=O)OC[C@@H]2CC=CC[C@H]2C)CC1=O COc1ccccc1[*:1] C[C@@H]1CC=CC[C@H]1COC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOC(=O)c1sc2ncn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c2c1C Clc1ccc(cc1)C[*:1] CCOC(=O)c1sc2ncn(CC(=O)N[*:1])c(=O)c2c1C
CCOC(=O)c1sc2ncn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c2c1C Clc1ccc(cc1)[*:1] CCOC(=O)c1sc2ncn(CC(=O)NC[*:1])c(=O)c2c1C
CCOC(=O)c1sc2ncn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c2c1C CCOC(=O)[*:1] Cc1c(sc2ncn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c12)[*:1]
CCOC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 CCOC(=O)N[*:1] O=C(Nc1ccc(F)cc1)c1cccc(c1)[*:1]
CCOC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CCOC(=O)Nc1cccc(c1)C(=O)N[*:1]
COc1cccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 COc1cccc(c1)C[*:1] O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)N[*:1]
COc1cccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 COc1cccc(c1)[*:1] O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NC[*:1]
COc1cccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)C[C@H]1CCCCN1S(=O)(=O)[*:1]
CCOCCCC(=O)N[C@@H]1CCCC[C@@H]1[NH3+] CCOC[*:1] [NH3+][C@H]1CCCC[C@H]1NC(=O)CC[*:1]
CCOCCCC(=O)N[C@@H]1CCCC[C@@H]1[NH3+] CCOCC[*:1] [NH3+][C@H]1CCCC[C@H]1NC(=O)C[*:1]
CCOCCCC(=O)N[C@@H]1CCCC[C@@H]1[NH3+] CCO[*:1] [NH3+][C@H]1CCCC[C@H]1NC(=O)CCC[*:1]
O=C(Nc1ccc2c(c1)OCCCO2)[C@@H](c1cccc(Br)c1)N1CCCC1 Brc1cccc(c1)[*:1] O=C(Nc1ccc2OCCCOc2c1)[C@@H](N1CCCC1)[*:1]
O=C(Nc1ccc2c(c1)OCCCO2)[C@@H](c1cccc(Br)c1)N1CCCC1 C1CCN(C1)[*:1] O=C(Nc1ccc2OCCCOc2c1)[C@@H](c1cccc(Br)c1)[*:1]
Cc1cc(F)cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1cc(F)cc(c1)C(=O)N(C1CC1)[*:1]
Cc1cc(F)cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 C1CC1[*:1] Cc1cc(F)cc(c1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1F
Cc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cs1 Cc1nc(cs1)[*:1] O=C(NCC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1F
Cc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cs1 Cc1nc(cs1)CC[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1F
Cc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cs1 Fc1ccc(c(F)c1)[*:1] Cc1nc(cs1)CCNC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)Cc1c(F)cccc1Cl)[*:1]
CC(C)[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccn1 CC(C)[*:1] O=C(Cc1c(F)cccc1Cl)N[C@H](c1ccccn1)[*:1]
CC1=C2C(=O)N=C(CS[C@H](C)C(=O)Nc3nc(-c4ccc(C)cc4)cs3)N=C2S[C@@H]1C Cc1ccc(cc1)[*:1] CC1=C2C(=O)N=C(CS[C@H](C)C(=O)Nc3nc(cs3)[*:1])N=C2S[C@@H]1C
C=CCO[C@H](C)C(=O)Oc1ccc2c(c1)CCC(=O)N2 C=CCO[*:1] C[C@H](C(=O)Oc1ccc2NC(=O)CCc2c1)[*:1]
C=CCO[C@H](C)C(=O)Oc1ccc2c(c1)CCC(=O)N2 C=CC[*:1] C[C@@H](O[*:1])C(=O)Oc1ccc2NC(=O)CCc2c1
CN(CCOc1ccccc1F)C(=O)c1nccnc1N Fc1ccccc1[*:1] CN(CCO[*:1])C(=O)c1nccnc1N
CN(CCOc1ccccc1F)C(=O)c1nccnc1N Nc1nccnc1[*:1] CN(CCOc1ccccc1F)C(=O)[*:1]
O=[N+]([O-])c1cnc(N2CCC[C@H]3CCC[C@@H]32)nc1NC1CC1 C1CC1N[*:1] O=[N+]([O-])c1cnc(nc1[*:1])N1CCC[C@H]2CCC[C@@H]21
O=[N+]([O-])c1cnc(N2CCC[C@H]3CCC[C@@H]32)nc1NC1CC1 O=[N+]([O-])[*:1] c1nc(nc(NC2CC2)c1[*:1])N1CCC[C@H]2CCC[C@@H]21
O=[N+]([O-])c1cnc(N2CCC[C@H]3CCC[C@@H]32)nc1NC1CC1 C1CC1[*:1] O=[N+]([O-])c1cnc(nc1N[*:1])N1CCC[C@H]2CCC[C@@H]21
O=C([O-])CCC(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 O=C([O-])[*:1] O=C(CC[*:1])Nc1ccccc1C(=O)N1CCN(CC1)c1ccc(Cl)cc1
O=C([O-])CCC(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 O=C([O-])CCC(=O)N[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)c1ccc(Cl)cc1
O=C([O-])CCC(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C([O-])CCC(=O)Nc1ccccc1C(=O)N1CCN(CC1)[*:1]
O=C([O-])CCC(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 O=C([O-])C[*:1] O=C(C[*:1])Nc1ccccc1C(=O)N1CCN(CC1)c1ccc(Cl)cc1
O=C([O-])CCC(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 O=C([O-])CC[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
CCc1cccc(-n2c(SCC(=O)c3cccc(Br)c3)nnc2N2CCOCC2)c1 Brc1cccc(c1)[*:1] CCc1cccc(c1)-n1c(nnc1N1CCOCC1)SCC(=O)[*:1]
CCc1cccc(-n2c(SCC(=O)c3cccc(Br)c3)nnc2N2CCOCC2)c1 O=C(c1cccc(Br)c1)[*:1] CCc1cccc(c1)-n1c(nnc1N1CCOCC1)SC[*:1]
CCc1cccc(-n2c(SCC(=O)c3cccc(Br)c3)nnc2N2CCOCC2)c1 O=C(C[*:1])c1cccc(Br)c1 CCc1cccc(c1)-n1c(nnc1N1CCOCC1)S[*:1]
CCc1cccc(-n2c(SCC(=O)c3cccc(Br)c3)nnc2N2CCOCC2)c1 CCc1cccc(c1)[*:1] O=C(CSc1nnc(N2CCOCC2)n1[*:1])c1cccc(Br)c1
CCc1cccc(-n2c(SCC(=O)c3cccc(Br)c3)nnc2N2CCOCC2)c1 C1CN(CCO1)[*:1] CCc1cccc(c1)-n1c(nnc1[*:1])SCC(=O)c1cccc(Br)c1
Cc1nc2c(c(N3CCCCC3)n1)CCN(C(=O)c1cc([O-])no1)CC2 C1CCN(CC1)[*:1] Cc1nc2CCN(CCc2c(n1)[*:1])C(=O)c1cc([O-])no1
COCCNC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C COC[*:1] C[C@@H](NC(=O)NC[*:1])C(=O)N1CCCC[C@H]1C
COCCNC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C COCC[*:1] C[C@@H](NC(=O)N[*:1])C(=O)N1CCCC[C@H]1C
N#CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 N#CC[*:1] N#Cc1ccc(cc1)C[NH+]1CCCN(CC1)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1ccccc1C CCS(=O)(=O)C[*:1] Cc1ccccc1NC(=O)C(=O)N[C@@H](C)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1ccccc1C CCS(=O)(=O)[*:1] Cc1ccccc1NC(=O)C(=O)N[C@@H](C)C[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1ccccc1C Cc1ccccc1[*:1] CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N[*:1]
CC(=O)NCC(=O)NCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C CC(=O)NCC(=O)N[*:1] C[C@H]1C[C@H](CN1C(=O)C[*:1])c1ccc(F)cc1
CC(=O)NCC(=O)NCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C CC(=O)NC[*:1] C[C@H]1C[C@H](CN1C(=O)CNC(=O)[*:1])c1ccc(F)cc1
CC(=O)NCC(=O)NCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C CC(=O)N[*:1] C[C@H]1C[C@H](CN1C(=O)CNC(=O)C[*:1])c1ccc(F)cc1
CC(=O)NCC(=O)NCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C Fc1ccc(cc1)[*:1] CC(=O)NCC(=O)NCC(=O)N1C[C@H](C[C@@H]1C)[*:1]
C[C@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@](C)=O)cc1 O=C(N1CCCCC1)[*:1] C[C@H](N[C@H](c1ccccc1)[*:1])c1ccc(cc1)[S@](C)=O
C[C@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@](C)=O)cc1 C[S@](=O)c1ccc(cc1)[*:1] C[C@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)[*:1]
C[C@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@](C)=O)cc1 c1ccc(cc1)[*:1] C[C@H](N[C@H](C(=O)N1CCCCC1)[*:1])c1ccc(cc1)[S@](C)=O
C[C@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@H](N[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(cc1)[*:1]
Cc1nc(C)c(C[S@@](=O)[C@H](C)C(=O)NCc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(C[S@@](=O)[C@H](C)C(=O)NC[*:1])s1
Cc1nc(C)c(C[S@@](=O)[C@H](C)C(=O)NCc2ccccc2)s1 c1ccc(cc1)C[*:1] Cc1nc(C)c(C[S@@](=O)[C@H](C)C(=O)N[*:1])s1
Cc1nc(C)c(C[S@@](=O)[C@H](C)C(=O)NCc2ccccc2)s1 Cc1nc(C)c(s1)[*:1] C[C@H](C(=O)NCc1ccccc1)[S@](=O)C[*:1]
Cc1cc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl Clc1ccc(cc1)[*:1] Cc1cc(ccc1Cl)O[C@@H](C)C(=O)NCc1nc(no1)[*:1]
Cc1cc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl Cc1cc(ccc1Cl)O[*:1] C[C@@H](C(=O)NCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
Cc1cc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl Cc1cc(ccc1Cl)[*:1] C[C@H](O[*:1])C(=O)NCc1nc(no1)-c1ccc(Cl)cc1
CCn1cc(C(=O)OCc2ccc(C)cc2C)c(=O)c2ccc(C)nc21 Cc1ccc(c(C)c1)[*:1] CCn1cc(C(=O)OC[*:1])c(=O)c2ccc(C)nc21
Cc1noc(COCC(=O)Nc2nc(-c3ccccc3)ns2)n1 c1ccc(cc1)[*:1] Cc1noc(COCC(=O)Nc2nc(ns2)[*:1])n1
Cc1noc(COCC(=O)Nc2nc(-c3ccccc3)ns2)n1 Cc1noc(C[*:1])n1 O=C(CO[*:1])Nc1nc(ns1)-c1ccccc1
Cc1noc(COCC(=O)Nc2nc(-c3ccccc3)ns2)n1 Cc1noc(n1)[*:1] O=C(COC[*:1])Nc1nc(ns1)-c1ccccc1
CC(C)C(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@]12C(=O)N(C)c1ccccc12 CC(C)[*:1] CN1C(=O)[C@@]2(c3ccccc31)[C@@H]1[NH+]=c3ccccc3=C1CCN2C(=O)[*:1]
CCCCc1noc([C@H]2CCC[NH2+]2)n1 CCC[*:1] C1C[NH2+][C@H](C1)c1nc(C[*:1])no1
CCCCc1noc([C@H]2CCC[NH2+]2)n1 CCCC[*:1] C1C[NH2+][C@H](C1)c1nc(no1)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)NCCS(=O)(=O)c1ccccc1 Cc1ccccc1[*:1] C[C@@H](NC(=O)NCCS(=O)(=O)c1ccccc1)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)NCCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1[C@@H](C)NC(=O)NCCS(=O)(=O)[*:1]
Cc1c(C(=O)NCC2CCN(C(=O)c3ccco3)CC2)nc2ccc(Cl)cn12 c1coc(c1)[*:1] Cc1c(nc2ccc(Cl)cn12)C(=O)NCC1CCN(CC1)C(=O)[*:1]
[NH3+]CCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 Clc1ccccc1[*:1] [NH3+]CCSc1nnc(n1C1CCCC1)[*:1]
[NH3+]CCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 [NH3+]CCS[*:1] Clc1ccccc1-c1nnc(n1C1CCCC1)[*:1]
[NH3+]CCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 C1CCC(C1)[*:1] [NH3+]CCSc1nnc(-c2ccccc2Cl)n1[*:1]
Cc1cc(CN(C)[C@H](C)Cc2ccsc2)ccc1-n1cncn1 c1cc(cs1)[*:1] Cc1cc(ccc1-n1cncn1)CN(C)[C@H](C)C[*:1]
Cc1cc(CN(C)[C@H](C)Cc2ccsc2)ccc1-n1cncn1 c1ncn(n1)[*:1] Cc1cc(ccc1[*:1])CN(C)[C@H](C)Cc1ccsc1
Cc1cc(CN(C)[C@H](C)Cc2ccsc2)ccc1-n1cncn1 c1cc(cs1)C[*:1] Cc1cc(ccc1-n1cncn1)CN(C)[C@H](C)[*:1]
CCc1nnsc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 CCc1nnsc1[*:1] C[C@H](NC(=O)[*:1])c1ccc2OCCCOc2c1
COCCCn1c(-c2ccc(C)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O COCC[*:1] Cc1ccc(cc1)-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1C[*:1]
COCCCn1c(-c2ccc(C)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O COC[*:1] Cc1ccc(cc1)-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1CC[*:1]
COCCCn1c(-c2ccc(C)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O COCCC[*:1] Cc1ccc(cc1)-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1[*:1]
COCCCn1c(-c2ccc(C)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O Cc1ccc(cc1)[*:1] COCCCn1c(nc2c(c(=O)c3ccccc3n2C)c1=O)[*:1]
CC(C)c1nc(NC(=O)NC(C)(C)c2ccc(F)cc2Cl)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)NC(C)(C)c1ccc(F)cc1Cl)[*:1]
CC(C)c1nc(NC(=O)NC(C)(C)c2ccc(F)cc2Cl)n(C)n1 Fc1ccc(c(Cl)c1)[*:1] CC(C)c1nc(NC(=O)NC(C)(C)[*:1])n(C)n1
CC(C)c1nc(NC(=O)NC(c2cccs2)c2cccs2)n(C)n1 c1csc(c1)[*:1] CC(C)c1nc(NC(=O)NC(c2cccs2)[*:1])n(C)n1
CC(C)c1nc(NC(=O)NC(c2cccs2)c2cccs2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)NC(c1cccs1)c1cccs1)[*:1]
Cc1cccc2cc3c(nc12)OCC[NH+](CCc1ccc2c(c1)OCO2)C3 c1cc2OCOc2cc1[*:1] Cc1cccc2cc3C[NH+](CCOc3nc12)CC[*:1]
COc1ccc([C@H](CC(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)NC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1nc(cs1)-c1c(C)[nH]c2ccccc12)[*:1]
COc1ccc([C@H](CC(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@H](CC(=O)Nc1nc(cs1)-c1c(C)[nH]c2ccccc12)[*:1]
COc1ccc([C@H](CC(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)NC(C)=O)cc1 Cc1[nH]c2ccccc2c1[*:1] COc1ccc(cc1)[C@H](CC(=O)Nc1nc(cs1)[*:1])NC(C)=O
O=C(C[C@H]1CCOc2ccccc21)OC[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(C[C@H]1CCOc2ccccc21)OC[C@H]1CC(=O)N(C1)[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)O[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] CC(C)[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 CC(C)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(c1)OC(F)(F)F)[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 CC(C)[C@@H](C)[*:1] O=C(Nc1cccc(c1)OC(F)(F)F)C(=O)N[*:1]
Cc1nc2c(s1)[C@@H](NCc1cccc(N(C)C)[nH+]1)CCC2 CN(C)[*:1] Cc1nc2CCC[C@H](NCc3cccc([nH+]3)[*:1])c2s1
COc1ccc(Cl)cc1NC(=O)NCc1cccc(Cn2cncn2)c1 c1ncn(n1)[*:1] COc1ccc(Cl)cc1NC(=O)NCc1cccc(c1)C[*:1]
COc1ccc(Cl)cc1NC(=O)NCc1cccc(Cn2cncn2)c1 c1ncn(C[*:1])n1 COc1ccc(Cl)cc1NC(=O)NCc1cccc(c1)[*:1]
COCc1cc(NC2CC[NH2+]CC2)nc(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] COCc1cc(nc(n1)[*:1])NC1CC[NH2+]CC1
COCc1cc(NC2CC[NH2+]CC2)nc(-c2cccc(Cl)c2)n1 COC[*:1] Clc1cccc(c1)-c1nc(cc(n1)[*:1])NC1CC[NH2+]CC1
CC(C)Oc1ccc([C@]2(O)CS[C@@H](C)C2)cc1 CC(C)O[*:1] C[C@H]1C[C@@](O)(CS1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@]2(O)CS[C@@H](C)C2)cc1 CC(C)[*:1] C[C@H]1C[C@@](O)(CS1)c1ccc(cc1)O[*:1]
Cc1oc(-c2ccco2)nc1COc1ccc2nccnc2c1 c1coc(c1)[*:1] Cc1oc(nc1COc1ccc2nccnc2c1)[*:1]
COc1ccc(C(C)=O)c(OC(=O)Cn2ccc3cc(OC)ccc32)c1 CC(=O)[*:1] COc1ccc(c(c1)OC(=O)Cn1ccc2cc(ccc21)OC)[*:1]
O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CCC1 FC(F)(F)[*:1] O=C(Nc1ccc(Br)c(c1)[*:1])C1CCC1
O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CCC1 C1CC(C1)[*:1] O=C(Nc1ccc(Br)c(c1)C(F)(F)F)[*:1]
Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@@]3(CCSC3)C2=O)c1C#N c1ccc(cc1)[*:1] Cc1nn(c(CN2C(=O)N[C@@]3(CCSC3)C2=O)c1C#N)[*:1]
COC(=O)c1sc(NC(=O)c2cc(C#N)cs2)nc1C(C)(C)C COC(=O)[*:1] CC(C)(C)c1nc(NC(=O)c2cc(C#N)cs2)sc1[*:1]
COC(=O)c1sc(NC(=O)c2cc(C#N)cs2)nc1C(C)(C)C CC(C)(C)[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)c1cc(C#N)cs1
COC(=O)c1sc(NC(=O)c2cc(C#N)cs2)nc1C(C)(C)C N#Cc1csc(c1)[*:1] COC(=O)c1sc(nc1C(C)(C)C)NC(=O)[*:1]
C[C@@H](CCl)CS(=O)(=O)N[C@H]1CCc2ccccc2C1 C[C@@H](CCl)[*:1] O=S(=O)(C[*:1])N[C@H]1CCc2ccccc2C1
CCOc1ncccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 Fc1ccc(F)c(c1)[*:1] CCOc1ncccc1C(=O)Nc1nc(cs1)[*:1]
CCOc1ncccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 CCO[*:1] O=C(Nc1nc(cs1)-c1cc(F)ccc1F)c1cccnc1[*:1]
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1c[nH]c2ccccc12 O=[N+]([O-])[*:1] CCn1c(nnc1-c1c[nH]c2ccccc12)SCc1ccc(cc1)[*:1]
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1c[nH]c2ccccc12 O=[N+]([O-])c1ccc(cc1)[*:1] CCn1c(nnc1-c1c[nH]c2ccccc12)SC[*:1]
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] CCn1c(nnc1[*:1])SCc1ccc(cc1)[N+](=O)[O-]
CCC1([C@@H](Cc2ncc[nH]2)[NH2+]C)CCCC1 c1c[nH]c(n1)[*:1] CCC1(CCCC1)[C@@H](C[*:1])[NH2+]C
COC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 COC(=O)[*:1] COc1ccc(Cl)cc1C(=O)N1CCC(CC1)[*:1]
CCN(CC[NH3+])[C@H]1CCOC2(CCSCC2)C1 [NH3+]CC[*:1] CCN([C@H]1CCOC2(CCSCC2)C1)[*:1]
Cc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)ncc3S(C)(=O)=O)CC2)o1 Cc1ccc(o1)[*:1] CS(=O)(=O)c1cnc(nc1C1CC[NH+](CC1)C[*:1])-c1cccnc1
Cc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)ncc3S(C)(=O)=O)CC2)o1 CS(=O)(=O)[*:1] Cc1ccc(C[NH+]2CCC(CC2)c2nc(ncc2[*:1])-c2cccnc2)o1
Cc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)ncc3S(C)(=O)=O)CC2)o1 Cc1ccc(C[*:1])o1 CS(=O)(=O)c1cnc(nc1C1CC[NH+](CC1)[*:1])-c1cccnc1
Cc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)ncc3S(C)(=O)=O)CC2)o1 c1cncc(c1)[*:1] Cc1ccc(C[NH+]2CCC(CC2)c2nc(ncc2S(C)(=O)=O)[*:1])o1
C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1Br c1cn(cn1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1Br
C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1Br Brc1ccccc1[*:1] C[C@H]([NH2+]Cc1ccc(cc1)-n1ccnc1)[*:1]
COC(=O)[C@@H](CSc1cccc(N)c1)NC(C)=O COC(=O)[*:1] CC(=O)N[C@H](CSc1cccc(N)c1)[*:1]
COC(=O)[C@@H](CSc1cccc(N)c1)NC(C)=O CC(=O)N[*:1] COC(=O)[C@@H](CSc1cccc(N)c1)[*:1]
CCc1noc([C@H](C)SCc2cccc(NC(C)=O)c2)n1 CC(=O)N[*:1] CCc1noc(n1)[C@H](C)SCc1cccc(c1)[*:1]
CCc1noc([C@H](C)SCc2cccc(NC(C)=O)c2)n1 CCc1noc(n1)[*:1] CC(=O)Nc1cccc(c1)CS[C@@H](C)[*:1]
O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1CCC[NH2+]C1 O=[N+]([O-])[*:1] Clc1ccc(O[C@H]2CCC[NH2+]C2)c(c1)[*:1]
CCc1nn(C)c(OC)c1C[NH+]1CCC(COc2ccccc2)CC1 c1ccc(cc1)OC[*:1] CCc1nn(C)c(OC)c1C[NH+]1CCC(CC1)[*:1]
CCc1nn(C)c(OC)c1C[NH+]1CCC(COc2ccccc2)CC1 c1ccc(cc1)O[*:1] CCc1nn(C)c(OC)c1C[NH+]1CCC(CC1)C[*:1]
CCc1nn(C)c(OC)c1C[NH+]1CCC(COc2ccccc2)CC1 c1ccc(cc1)[*:1] CCc1nn(C)c(OC)c1C[NH+]1CCC(CC1)CO[*:1]
COc1ccc([C@@H]2CN(C(=O)CCC3CCCCC3)C[C@H]2[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CN(C[C@H]1[*:1])C(=O)CCC1CCCCC1
COc1ccc([C@@H]2CN(C(=O)CCC3CCCCC3)C[C@H]2[NH+](C)C)cc1 C1CCC(CC1)C[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1[NH+](C)C)C(=O)C[*:1]
COc1ccc([C@@H]2CN(C(=O)CCC3CCCCC3)C[C@H]2[NH+](C)C)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1[NH+](C)C)C(=O)CC[*:1]
COc1ccc([C@@H]2CN(C(=O)CCC3CCCCC3)C[C@H]2[NH+](C)C)cc1 C1CCC(CC1)CC[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1[NH+](C)C)C(=O)[*:1]
CC[C@H](C)NC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2F)c1 CC[C@H](C)[*:1] O=C(N[*:1])c1cccc(c1)NC(=S)NC(=O)c1ccccc1F
CC[C@H](C)NC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] CC[C@H](C)NC(=O)c1cccc(c1)NC(=S)NC(=O)[*:1]
CC[C@H](C)NC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2F)c1 CC[C@H](C)NC(=O)[*:1] O=C(NC(=S)Nc1cccc(c1)[*:1])c1ccccc1F
Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC#CCOc1ccc(F)cc1F Fc1ccc(O[*:1])c(F)c1 Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC#CC[*:1]
Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC#CCOc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC#CCO[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)NCc1cccs1 c1csc(c1)C[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)NCc1cccs1 c1csc(c1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)NC[*:1]
CC(C)c1csc(NC(=O)CSc2nncn2C(C)C)n1 CC(C)[*:1] CC(C)c1csc(n1)NC(=O)CSc1nncn1[*:1]
CC(C)c1csc(NC(=O)CSc2nncn2C(C)C)n1 CC(C)[*:1] CC(C)n1cnnc1SCC(=O)Nc1nc(cs1)[*:1]
Cc1cnc2c(c1)nc(CCl)n2CCc1cscn1 c1nc(cs1)C[*:1] Cc1cnc2c(c1)nc(CCl)n2C[*:1]
Cc1cnc2c(c1)nc(CCl)n2CCc1cscn1 c1nc(cs1)[*:1] Cc1cnc2c(c1)nc(CCl)n2CC[*:1]
Cc1noc(C)c1[C@H](C)CN[C@H]1CCOc2c(F)cccc21 Cc1noc(C)c1[*:1] C[C@H](CN[C@H]1CCOc2c(F)cccc21)[*:1]
Cc1oc(CSc2ccncc2N)cc1C(=O)[O-] O=C([O-])[*:1] Cc1oc(cc1[*:1])CSc1ccncc1N
C[C@@H](Sc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)C(N)=O C[C@@H](C(N)=O)[*:1] FC(F)(F)c1cc(nc(n1)S[*:1])-c1ccc(Cl)cc1
C[C@@H](Sc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)C(N)=O Clc1ccc(cc1)[*:1] C[C@@H](Sc1nc(cc(n1)[*:1])C(F)(F)F)C(N)=O
C[C@@H](Sc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)C(N)=O C[C@@H](S[*:1])C(N)=O FC(F)(F)c1cc(nc(n1)[*:1])-c1ccc(Cl)cc1
C[C@@H](Sc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)C(N)=O NC(=O)[*:1] C[C@@H](Sc1nc(cc(n1)C(F)(F)F)-c1ccc(Cl)cc1)[*:1]
C[C@@H](Sc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)C(N)=O FC(F)(F)[*:1] C[C@@H](Sc1nc(cc(n1)[*:1])-c1ccc(Cl)cc1)C(N)=O
C#CCOc1ccc2ccccc2c1CN1CCN(CC#N)CC1 C#CCO[*:1] N#CCN1CCN(CC1)Cc1c(ccc2ccccc12)[*:1]
C#CCOc1ccc2ccccc2c1CN1CCN(CC#N)CC1 N#CC[*:1] C#CCOc1ccc2ccccc2c1CN1CCN(CC1)[*:1]
C#CCOc1ccc2ccccc2c1CN1CCN(CC#N)CC1 C#CC[*:1] N#CCN1CCN(CC1)Cc1c(ccc2ccccc12)O[*:1]
CCOC(=O)c1[nH]c(C)c(C(C)=O)c1CC CCOC(=O)[*:1] CCc1c([nH]c(C)c1C(C)=O)[*:1]
CCOC(=O)c1[nH]c(C)c(C(C)=O)c1CC CC(=O)[*:1] CCOC(=O)c1[nH]c(C)c(c1CC)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(F)ccc2F)C1 CCNS(=O)(=O)[*:1] O=C(c1cc(F)ccc1F)N1CC[C@@H](C1)[*:1]
O=c1[nH]c(C[NH+]2CCN(C[C@H](O)COc3ccc(F)cc3)CC2)nc2ccccc12 Fc1ccc(cc1)O[*:1] O=c1[nH]c(C[NH+]2CCN(CC2)C[C@H](O)C[*:1])nc2ccccc12
O=c1[nH]c(C[NH+]2CCN(C[C@H](O)COc3ccc(F)cc3)CC2)nc2ccccc12 Fc1ccc(cc1)OC[*:1] O=c1[nH]c(C[NH+]2CCN(CC2)C[C@H](O)[*:1])nc2ccccc12
O=c1[nH]c(C[NH+]2CCN(C[C@H](O)COc3ccc(F)cc3)CC2)nc2ccccc12 Fc1ccc(cc1)[*:1] O=c1[nH]c(C[NH+]2CCN(CC2)C[C@H](O)CO[*:1])nc2ccccc12
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F Clc1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)Nc1ccc(F)c(F)c1F
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 COc1ccc(cc1)C[*:1] CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)N[*:1])cc1
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)CNC(=O)C(=O)N/N=C/c1ccc(cc1)[*:1]
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NC[*:1])cc1
Cn1nc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)ccc1=O Cn1nc(ccc1=O)[*:1] O=C(N1CCC[C@@H](C1)c1cccc(n1)-c1cccc(Cl)c1)[*:1]
Cn1nc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)ccc1=O Clc1cccc(c1)[*:1] Cn1nc(ccc1=O)C(=O)N1CCC[C@@H](C1)c1cccc(n1)[*:1]
O=C(c1ccc(OC2CCCC2)cc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)O[*:1] O=C(c1ccc(cc1)[*:1])N(C1CC1)[C@H]1CCS(=O)(=O)C1
O=C(c1ccc(OC2CCCC2)cc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] O=C(c1ccc(cc1)O[*:1])N(C1CC1)[C@H]1CCS(=O)(=O)C1
O=C(c1ccc(OC2CCCC2)cc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C(c1ccc(cc1)OC1CCCC1)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1 Cc1ccc(cc1)[*:1] CN(c1ccc(cc1)OC(=O)/C=C/c1ccco1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1 C(=C[*:1])c1ccco1 Cc1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)OC(=O)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)OC(=O)C=C[*:1]
CCN(CCNC(=O)COC)c1cccc(C)c1 COCC(=O)N[*:1] CCN(CC[*:1])c1cccc(C)c1
CCN(CCNC(=O)COC)c1cccc(C)c1 COC[*:1] CCN(CCNC(=O)[*:1])c1cccc(C)c1
O=C(c1ccc(F)cc1)N1CCC2(CC1)OC[C@@H](C(=O)N1CCCC1)N2C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(c1ccc(F)cc1)N1CCC2(CC1)OC[C@@H](C(=O)N1CCCC1)N2C(=O)[*:1]
O=C(c1ccc(F)cc1)N1CCC2(CC1)OC[C@@H](C(=O)N1CCCC1)N2C(=O)c1cccc(F)c1 O=C(N1CCCC1)[*:1] O=C(c1ccc(F)cc1)N1CCC2(CC1)OC[C@@H](N2C(=O)c1cccc(F)c1)[*:1]
O=C(c1ccc(F)cc1)N1CCC2(CC1)OC[C@@H](C(=O)N1CCCC1)N2C(=O)c1cccc(F)c1 Fc1ccc(cc1)[*:1] O=C([C@@H]1COC2(CCN(CC2)C(=O)[*:1])N1C(=O)c1cccc(F)c1)N1CCCC1
Cc1cc(Oc2cccc(CC[NH3+])c2)ncn1 [NH3+]CC[*:1] Cc1cc(ncn1)Oc1cccc(c1)[*:1]
O=C(CSCc1ccccn1)NC[C@@H]1CCS(=O)(=O)C1 c1ccc(nc1)[*:1] O=C(CSC[*:1])NC[C@@H]1CCS(=O)(=O)C1
Cc1ccc([C@H](CNC(=O)NNc2cccc(C#N)c2)[NH+](C)C)cc1 N#Cc1cccc(c1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)NN[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)NNc2cccc(C#N)c2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)NNc1cccc(C#N)c1)[*:1]
CC(C)n1nc(C(=O)Nc2ccc(C#N)cc2)c2ccccc2c1=O N#Cc1ccc(cc1)[*:1] CC(C)n1nc(C(=O)N[*:1])c2ccccc2c1=O
CC(C)n1nc(C(=O)Nc2ccc(C#N)cc2)c2ccccc2c1=O CC(C)[*:1] N#Cc1ccc(cc1)NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
CC(C)C[C@H]1COCCN1C(=O)C1CCN(C(=O)c2ccoc2)CC1 CC(C)C[*:1] O=C(c1ccoc1)N1CCC(CC1)C(=O)N1CCOC[C@@H]1[*:1]
CC(C)C[C@H]1COCCN1C(=O)C1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] CC(C)C[C@H]1COCCN1C(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)C[C@H]1COCCN1C(=O)C1CCN(C(=O)c2ccoc2)CC1 CC(C)[*:1] O=C(c1ccoc1)N1CCC(CC1)C(=O)N1CCOC[C@@H]1C[*:1]
NC(=O)NCc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)NCc1ccc(cc1)C(=O)NCC(c1ccccc1)[*:1]
NC(=O)NCc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1 NC(=O)NC[*:1] O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(cc1)[*:1]
NC(=O)NCc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1 NC(=O)N[*:1] O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(cc1)C[*:1]
C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F C=CC[*:1] Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1[*:1]
C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Cl)cc1[*:1]
COc1ccc([C@H](NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[*:1]
COc1ccc([C@H](NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[*:1]
C[NH+](Cc1ccoc1)Cc1ccc(C(=O)NN)cn1 NNC(=O)[*:1] C[NH+](Cc1ccoc1)Cc1ccc(cn1)[*:1]
C[NH+](Cc1ccoc1)Cc1ccc(C(=O)NN)cn1 c1cc(co1)[*:1] C[NH+](Cc1ccc(cn1)C(=O)NN)C[*:1]
C[NH+](Cc1ccoc1)Cc1ccc(C(=O)NN)cn1 c1cc(co1)C[*:1] C[NH+](Cc1ccc(cn1)C(=O)NN)[*:1]
O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 C1CC1[*:1] O=C(CSc1nnc(-c2cccs2)n1[*:1])N1N=C(C[C@@H]1c1ccco1)c1ccco1
O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 c1csc(c1)[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])N1N=C(C[C@@H]1c1ccco1)c1ccco1
O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1N=C(C[C@H]1[*:1])c1ccco1
O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1N=C(C[C@@H]1c1ccco1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)NCc2cccs2)o1 c1csc(c1)C[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)N[*:1]
CNS(=O)(=O)c1ccc(C(=O)NCc2cccs2)o1 c1csc(c1)[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)NC[*:1]
CNS(=O)(=O)c1ccc(C(=O)NCc2cccs2)o1 CNS(=O)(=O)[*:1] O=C(NCc1cccs1)c1ccc(o1)[*:1]
CO[C@@]1(C)C[C@@H](NC(=O)N(CCO)CCc2ccccc2)C1(C)C c1ccc(cc1)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)N(CCO)CC[*:1])C1(C)C
CO[C@@]1(C)C[C@@H](NC(=O)N(CCO)CCc2ccccc2)C1(C)C c1ccc(cc1)CC[*:1] CO[C@@]1(C)C[C@@H](NC(=O)N(CCO)[*:1])C1(C)C
CO[C@@]1(C)C[C@@H](NC(=O)N(CCO)CCc2ccccc2)C1(C)C c1ccc(cc1)C[*:1] CO[C@@]1(C)C[C@@H](NC(=O)N(CCO)C[*:1])C1(C)C
CO[C@@]1(C)C[C@@H](NC(=O)N(CCO)CCc2ccccc2)C1(C)C OCC[*:1] CO[C@@]1(C)C[C@@H](NC(=O)N(CCc2ccccc2)[*:1])C1(C)C
Brc1cncc(-c2noc(CNc3ccccc3)n2)c1 c1ccc(cc1)[*:1] Brc1cncc(c1)-c1noc(CN[*:1])n1
CCCn1ccc2cc(NC(=O)C(=O)N(C)Cc3ccccc3F)ccc21 CCC[*:1] CN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc2c(ccn2[*:1])c1
CCCn1ccc2cc(NC(=O)C(=O)N(C)Cc3ccccc3F)ccc21 Fc1ccccc1C[*:1] CCCn1ccc2cc(ccc21)NC(=O)C(=O)N(C)[*:1]
CCCn1ccc2cc(NC(=O)C(=O)N(C)Cc3ccccc3F)ccc21 Fc1ccccc1[*:1] CCCn1ccc2cc(ccc21)NC(=O)C(=O)N(C)C[*:1]
COC[C@H](Nc1cc(C#N)cc([N+](=O)[O-])c1C)C(N)=O NC(=O)[*:1] COC[C@H](Nc1cc(C#N)cc(c1C)[N+](=O)[O-])[*:1]
COC[C@H](Nc1cc(C#N)cc([N+](=O)[O-])c1C)C(N)=O O=[N+]([O-])[*:1] COC[C@H](Nc1cc(C#N)cc(c1C)[*:1])C(N)=O
COC[C@H](Nc1cc(C#N)cc([N+](=O)[O-])c1C)C(N)=O COC[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N[C@H](C(N)=O)[*:1]
COc1ncccc1CNC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C COc1ncccc1[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@H](C)NC(=O)NC[*:1]
COc1ncccc1CNC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C COc1ncccc1C[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@H](C)NC(=O)N[*:1]
COc1ncccc1CNC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] COc1ncccc1CNC(=O)N[C@@H](C)c1cnn(c1C)[*:1]
Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 Fc1ccc(cc1)[*:1] Cc1nnc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])s1
Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Cc1ccc(-n2nc(C)cc2NC(=O)[C@H]2Oc3ccccc3[C@H]2C)nn1 Cc1ccc(nn1)[*:1] Cc1cc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)n(n1)[*:1]
N#Cc1ccc(COC(=O)CCc2nc(-c3ncccn3)no2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CCc1nc(no1)-c1ncccn1)OC[*:1]
N#Cc1ccc(COC(=O)CCc2nc(-c3ncccn3)no2)cc1 c1cnc(nc1)[*:1] N#Cc1ccc(cc1)COC(=O)CCc1nc(no1)[*:1]
Cc1cc(NC(=O)Cc2nnc(-c3ccsc3)o2)ccc1F c1cc(cs1)[*:1] Cc1cc(ccc1F)NC(=O)Cc1nnc(o1)[*:1]
Cc1cccc(C)c1Oc1ccccc1NC(=O)N[C@@H]1C=C[C@H](CO)C1 Cc1cccc(C)c1[*:1] O=C(Nc1ccccc1O[*:1])N[C@@H]1C=C[C@H](CO)C1
N#Cc1cccc(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)c1 c1cncc(c1)[*:1] N#Cc1cccc(c1)S(=O)(=O)N(CCc1ccccc1)C[*:1]
N#Cc1cccc(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)c1 c1cncc(c1)C[*:1] N#Cc1cccc(c1)S(=O)(=O)N(CCc1ccccc1)[*:1]
N#Cc1cccc(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)c1 c1ccc(cc1)CC[*:1] N#Cc1cccc(c1)S(=O)(=O)N(Cc1cccnc1)[*:1]
N#Cc1cccc(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)c1 c1ccc(cc1)C[*:1] N#Cc1cccc(c1)S(=O)(=O)N(Cc1cccnc1)C[*:1]
N#Cc1cccc(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)c1 N#Cc1cccc(c1)[*:1] O=S(=O)(N(CCc1ccccc1)Cc1cccnc1)[*:1]
N#Cc1cccc(S(=O)(=O)N(CCc2ccccc2)Cc2cccnc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)S(=O)(=O)N(CC[*:1])Cc1cccnc1
CC(C)CC(=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 CC(C)[*:1] O=C(C[*:1])NC1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
CC(C)CC(=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 CC(C)CC(=O)N[*:1] O=C(c1cc2ccccc2[nH]1)N1CCC(CC1)[*:1]
CC(C)CC(=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 CC(C)C[*:1] O=C(c1cc2ccccc2[nH]1)N1CCC(CC1)NC(=O)[*:1]
Cc1ccccc1CNC(=O)c1cc(C)c(C#CCO)s1 OCC#C[*:1] Cc1ccccc1CNC(=O)c1cc(C)c(s1)[*:1]
Cc1ccccc1CNC(=O)c1cc(C)c(C#CCO)s1 Cc1ccccc1[*:1] Cc1cc(sc1C#CCO)C(=O)NC[*:1]
CCNC(=O)C[C@H](C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 CCNC(=O)C[*:1] [NH3+]C[C@H](N1CC[C@@H](C1)[NH+]1CCCC1)[*:1]
CCNC(=O)C[C@H](C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 CCNC(=O)[*:1] [NH3+]C[C@@H](C[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
COc1ccccc1N(C(C)=O)c1nc(COc2ccc(C#N)cc2)cs1 N#Cc1ccc(cc1)[*:1] COc1ccccc1N(C(C)=O)c1nc(cs1)CO[*:1]
COc1ccccc1N(C(C)=O)c1nc(COc2ccc(C#N)cc2)cs1 COc1ccccc1[*:1] CC(=O)N(c1nc(cs1)COc1ccc(C#N)cc1)[*:1]
COc1ccccc1N(C(C)=O)c1nc(COc2ccc(C#N)cc2)cs1 N#Cc1ccc(cc1)O[*:1] COc1ccccc1N(C(C)=O)c1nc(cs1)C[*:1]
COC(=O)c1cccn1C1CCN(C(=O)c2cccnc2OC)CC1 COC(=O)[*:1] COc1ncccc1C(=O)N1CCC(CC1)n1cccc1[*:1]
COC(=O)c1cccn1C1CCN(C(=O)c2cccnc2OC)CC1 COc1ncccc1[*:1] COC(=O)c1cccn1C1CCN(CC1)C(=O)[*:1]
C=CCNC(=O)[C@@H]1CC(c2ccc(OC)c(OC)c2)=NO1 C=CCNC(=O)[*:1] COc1ccc(cc1OC)C1C[C@H](ON=1)[*:1]
C=CCNC(=O)[C@@H]1CC(c2ccc(OC)c(OC)c2)=NO1 C=CC[*:1] COc1ccc(cc1OC)C1C[C@H](ON=1)C(=O)N[*:1]
C[C@H](C1CC1)N(C)C(=O)c1c[nH]c2cccc(F)c12 C[C@H](C1CC1)[*:1] CN(C(=O)c1c[nH]c2cccc(F)c12)[*:1]
C[C@H](C1CC1)N(C)C(=O)c1c[nH]c2cccc(F)c12 C1CC1[*:1] C[C@H](N(C)C(=O)c1c[nH]c2cccc(F)c12)[*:1]
Cc1nn2c(S(=O)(=O)[N-]c3ccc(F)cc3)c(C(C)C)nc2s1 CC(C)[*:1] Cc1nn2c(c(nc2s1)[*:1])S(=O)(=O)[N-]c1ccc(F)cc1
Cc1nn2c(S(=O)(=O)[N-]c3ccc(F)cc3)c(C(C)C)nc2s1 Fc1ccc(cc1)[*:1] Cc1nn2c(c(nc2s1)C(C)C)S(=O)(=O)[N-][*:1]
C[C@@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)N1CCCC[C@@H](C1)[NH+]1CCCC1)[*:1]
C[C@H](CCc1ccccc1F)C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H](CCc1ccccc1F)C(=O)N1CSC[C@H]1[*:1]
C[C@H](CCc1ccccc1F)C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 Fc1ccccc1C[*:1] C[C@H](C[*:1])C(=O)N1CSC[C@@H]1C(=O)N1CCCC1
C[C@H](CCc1ccccc1F)C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 Fc1ccccc1[*:1] C[C@H](CC[*:1])C(=O)N1CSC[C@@H]1C(=O)N1CCCC1
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O NC(=O)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1Cc2ccccc2C[C@@H]1[*:1]
CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)CCC2CCCCC2)C1 C1CCC(CC1)C[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)C[*:1]
CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)CCC2CCCCC2)C1 C1CCC(CC1)[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)CC[*:1]
CC[NH2+][C@@]1(C(=O)OCC)CCC[C@@H](n2cncn2)C1 c1ncn(n1)[*:1] CC[NH2+][C@]1(CCC[C@@H](C1)[*:1])C(=O)OCC
CC[NH2+][C@@]1(C(=O)OCC)CCC[C@@H](n2cncn2)C1 CCOC(=O)[*:1] CC[NH2+][C@]1(CCC[C@H](C1)n1cncn1)[*:1]
Cn1cc([C@@H](O)CN2CCN(c3ccccc3)CC2)c2ccccc21 c1ccc(cc1)[*:1] Cn1cc(c2ccccc21)[C@@H](O)CN1CCN(CC1)[*:1]
O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1SCC(F)(F)F FC(F)(F)[*:1] O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1SC[*:1]
O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1SCC(F)(F)F FC(F)(F)CS[*:1] O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1[*:1]
O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1SCC(F)(F)F FC(F)(F)C[*:1] O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1S[*:1]
Cc1ccc(NC(=O)C2CCCC2)c(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1ccc(NC(=O)C2CCCC2)c(c1)OC[*:1]
Cc1ccc(NC(=O)C2CCCC2)c(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1ccc(NC(=O)C2CCCC2)c(c1)O[*:1]
Cc1ccc(NC(=O)C2CCCC2)c(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)CO[*:1] Cc1ccc(NC(=O)C2CCCC2)c(c1)[*:1]
Cc1ccc(NC(=O)C2CCCC2)c(OC[C@H]2CCCO2)c1 C1CCC(C1)[*:1] Cc1ccc(NC(=O)[*:1])c(c1)OC[C@H]1CCCO1
COCCn1c(-c2ccccc2C(=O)OC)nc2ccccc21 COCC[*:1] COC(=O)c1ccccc1-c1nc2ccccc2n1[*:1]
COCCn1c(-c2ccccc2C(=O)OC)nc2ccccc21 COC(=O)[*:1] COCCn1c(nc2ccccc21)-c1ccccc1[*:1]
COCCn1c(-c2ccccc2C(=O)OC)nc2ccccc21 COC[*:1] COC(=O)c1ccccc1-c1nc2ccccc2n1C[*:1]
O=c1[nH]c(-c2ccncc2)nc2scc(-c3ccco3)c12 c1cc(ccn1)[*:1] O=c1[nH]c(nc2scc(-c3ccco3)c12)[*:1]
O=c1[nH]c(-c2ccncc2)nc2scc(-c3ccco3)c12 c1coc(c1)[*:1] O=c1[nH]c(nc2scc(c12)[*:1])-c1ccncc1
COCCN1[C@H](C)CN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C[C@H]1C COCC[*:1] C[C@@H]1CN(C[C@@H](C)N1[*:1])C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
COCCN1[C@H](C)CN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C[C@H]1C COC[*:1] C[C@@H]1CN(C[C@@H](C)N1C[*:1])C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)COC(=O)c2ccc(o2)[N+](=O)[O-])n(n1)[*:1]
Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)n(-c2ccccc2)n1 O=[N+]([O-])c1ccc(o1)[*:1] Cc1cc(NC(=O)COC(=O)[*:1])n(n1)-c1ccccc1
Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)n(-c2ccccc2)n1 O=[N+]([O-])[*:1] Cc1cc(NC(=O)COC(=O)c2ccc(o2)[*:1])n(n1)-c1ccccc1
CCN(CC)c1ccc(C(=O)Nc2cccc(COC)c2)cc1 CCN(CC)[*:1] COCc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CCN(CC)c1ccc(C(=O)Nc2cccc(COC)c2)cc1 COC[*:1] CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
O=C(/C=C\c1ccco1)Nc1cccc(Oc2ncccn2)c1 c1coc(c1)[*:1] O=C(C=C[*:1])Nc1cccc(c1)Oc1ncccn1
O=C(/C=C\c1ccco1)Nc1cccc(Oc2ncccn2)c1 c1cnc(nc1)[*:1] O=C(/C=C\c1ccco1)Nc1cccc(c1)O[*:1]
O=C(/C=C\c1ccco1)Nc1cccc(Oc2ncccn2)c1 c1cnc(nc1)O[*:1] O=C(/C=C\c1ccco1)Nc1cccc(c1)[*:1]
O=C(/C=C\c1ccco1)Nc1cccc(Oc2ncccn2)c1 C(=C[*:1])c1ccco1 O=C(Nc1cccc(c1)Oc1ncccn1)[*:1]
COc1ccc(OCCN(C)C(=O)C(=O)Nc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)OCCN(C)C(=O)C(=O)N[*:1]
COc1ccc(OCCN(C)C(=O)C(=O)Nc2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N(C)CCO[*:1]
CN(C(=O)NCCCOCc1ccco1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)NCCCOCc1ccco1)[*:1]
CN(C(=O)NCCCOCc1ccco1)C1CCCCC1 c1coc(c1)[*:1] CN(C(=O)NCCCOC[*:1])C1CCCCC1
CN(C(=O)NCCCOCc1ccco1)C1CCCCC1 c1coc(c1)C[*:1] CN(C(=O)NCCCO[*:1])C1CCCCC1
CN(C(=O)NCCCOCc1ccco1)C1CCCCC1 c1coc(c1)CO[*:1] CN(C(=O)NCCC[*:1])C1CCCCC1
CC(C)C[C@]1(C)CC(=O)N(Cc2ncc(-c3ccccc3Cl)o2)C1=O Clc1ccccc1[*:1] CC(C)C[C@]1(C)CC(=O)N(Cc2ncc(o2)[*:1])C1=O
CC(C)C[C@]1(C)CC(=O)N(Cc2ncc(-c3ccccc3Cl)o2)C1=O CC(C)[*:1] C[C@]1(CC(=O)N(Cc2ncc(o2)-c2ccccc2Cl)C1=O)C[*:1]
CC(C)C[C@]1(C)CC(=O)N(Cc2ncc(-c3ccccc3Cl)o2)C1=O CC(C)C[*:1] C[C@@]1(CC(=O)N(Cc2ncc(o2)-c2ccccc2Cl)C1=O)[*:1]
O=C1C[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 O=[N+]([O-])[*:1] O=C1C[C@H](C2C(=O)C[C@H](CC=2N1)c1cccs1)c1ccc(Cl)c(c1)[*:1]
O=C1C[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 c1csc(c1)[*:1] O=C1C[C@H](C2C(=O)C[C@@H](CC=2N1)[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
CCn1c(C2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)nn(CCOC)c1=O Fc1ccc(cc1)[*:1] CCn1c(nn(CCOC)c1=O)C1CCN(CC1)C(=O)c1cc(nn1C)[*:1]
CCn1c(C2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)nn(CCOC)c1=O COC[*:1] CCn1c(nn(C[*:1])c1=O)C1CCN(CC1)C(=O)c1cc(nn1C)-c1ccc(F)cc1
CCn1c(C2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)nn(CCOC)c1=O COCC[*:1] CCn1c(nn(c1=O)[*:1])C1CCN(CC1)C(=O)c1cc(nn1C)-c1ccc(F)cc1
Cc1csc([C@@H](C#N)C(=O)c2cnn(C(C)C)c2C)n1 Cc1csc(n1)[*:1] Cc1c(cnn1C(C)C)C(=O)[C@H](C#N)[*:1]
Cc1csc([C@@H](C#N)C(=O)c2cnn(C(C)C)c2C)n1 CC(C)[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)c1cnn(c1C)[*:1]
O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN(C(=O)NC2CC2)C1 C1CC1[*:1] O=C(Nc1nc2CCCCc2s1)[C@@H]1CCCN(C1)C(=O)N[*:1]
CCCNc1c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(=O)oc2ccccc12 CCC[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)Nc1c(N[*:1])c2ccccc2oc1=O
CCCNc1c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(=O)oc2ccccc12 CCCN[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)Nc1c(c2ccccc2oc1=O)[*:1]
CC(C)C(=O)N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 c1cncc(c1)[*:1] CC(C)C(=O)N1CCN(C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
CC(C)C(=O)N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 CC(C)[*:1] O=C(N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CC(C)C(=O)N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21 c1cncc(c1)C[*:1] CC(C)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
Cc1ccc(CNc2ncnc(N3CCCCC3)c2[N+](=O)[O-])cc1 C1CCN(CC1)[*:1] Cc1ccc(cc1)CNc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1ccc(CNc2ncnc(N3CCCCC3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CNc1ncnc(c1[*:1])N1CCCCC1
Cc1ccc(CNc2ncnc(N3CCCCC3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCCCC1)NC[*:1]
Cc1ccc(CNc2ncnc(N3CCCCC3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)C[*:1] O=[N+]([O-])c1c(ncnc1N1CCCCC1)N[*:1]
CC[C@@H](C)N(Cc1sccc1C)C(=O)CCc1ccncc1 Cc1ccsc1[*:1] CC[C@@H](C)N(C[*:1])C(=O)CCc1ccncc1
CC[C@@H](C)N(Cc1sccc1C)C(=O)CCc1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](C)N(Cc1sccc1C)C(=O)CC[*:1]
CC[C@@H](C)N(Cc1sccc1C)C(=O)CCc1ccncc1 CC[C@@H](C)[*:1] Cc1ccsc1CN(C(=O)CCc1ccncc1)[*:1]
CC[C@@H](C)N(Cc1sccc1C)C(=O)CCc1ccncc1 Cc1ccsc1C[*:1] CC[C@@H](C)N(C(=O)CCc1ccncc1)[*:1]
CC[C@@H](C)N(Cc1sccc1C)C(=O)CCc1ccncc1 c1cc(ccn1)C[*:1] CC[C@@H](C)N(Cc1sccc1C)C(=O)C[*:1]
O=C(CSc1cc(N2CCOCC2)ncn1)Nc1cccc(Cl)c1Cl C1CN(CCO1)[*:1] O=C(CSc1cc(ncn1)[*:1])Nc1cccc(Cl)c1Cl
O=C(CSc1cc(N2CCOCC2)ncn1)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(CSc1cc(ncn1)N1CCOCC1)N[*:1]
COc1ccc(-c2nnc(NC(=O)c3ccc(C(C)=O)cc3)o2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
COc1ccc(-c2nnc(NC(=O)c3ccc(C(C)=O)cc3)o2)cc1 CC(=O)[*:1] COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
COc1ccc([C@@H](NC(=O)c2ccc(NC(C)=O)cc2)C2CCOCC2)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1ccc(cc1)[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)c2ccc(NC(C)=O)cc2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N[C@@H](C1CCOCC1)[*:1]
COc1ccc([C@@H](NC(=O)c2ccc(NC(C)=O)cc2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1ccc(cc1)NC(C)=O)[*:1]
C[C@@H](CC(=O)N1CC[NH2+]CC1)CC(C)(C)C CC(C)(C)[*:1] C[C@@H](CC(=O)N1CC[NH2+]CC1)C[*:1]
C[C@@H](CC(=O)N1CC[NH2+]CC1)CC(C)(C)C CC(C)(C)C[*:1] C[C@@H](CC(=O)N1CC[NH2+]CC1)[*:1]
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)c1cccc(C#N)c1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)N[*:1])C(=O)N[C@H](C)c1cccc(C#N)c1
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)c1cccc(C#N)c1 CC(C)[*:1] C[C@@H](NC(=O)[C@@H](NC(=O)Nc1ccccc1)[*:1])c1cccc(C#N)c1
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)[*:1]
Cc1oc2c(N)cc(NC(=O)OC(C)(C)C)cc2c1C CC(C)(C)[*:1] Cc1oc2c(N)cc(cc2c1C)NC(=O)O[*:1]
C[C@H](CC(=O)N1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1)n1ccnc1 c1cn(cn1)[*:1] C[C@H](CC(=O)N1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1)[*:1]
CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc(C)c1C Fc1ccc(cc1)O[*:1] CCOC(=O)c1c(NC(=O)C[*:1])sc(C)c1C
CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)COc2ccc(F)cc2)c(c1C)[*:1]
CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc(C)c1C Fc1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)CO[*:1])sc(C)c1C
Cc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)s1 Cc1ccc(s1)[*:1] O=C(Cn1nnc(n1)-c1ccccc1)[*:1]
Cc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)Cn1nnc(n1)[*:1]
Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 Cc1noc(C)c1[*:1] O=C(c1ccco1)N1CCc2ccc(cc2C1)NS(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 c1coc(c1)[*:1] Cc1noc(C)c1S(=O)(=O)Nc1ccc2CCN(Cc2c1)C(=O)[*:1]
C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C C[C@H]1CCCCN1C(=O)[*:1] C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1C[*:1]
C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C O=C(N[*:1])c1ccco1 C[C@H]1CCCCN1C(=O)Cn1c(nc2ccccc21)[C@@H](C)[*:1]
C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C
CC[NH2+][C@H](c1ccc(Cl)cc1F)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[NH2+][C@H](c1ccc(Cl)cc1F)[*:1]
Cc1cnc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cn1 Cc1cnc(cn1)[*:1] O=C(Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCCCC1)[*:1]
Cc1cnc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cn1 C1CCN(CC1)[*:1] Cc1cnc(cn1)C(=O)Nc1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1
Cc1cnc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cn1 Cc1cnc(cn1)C(=O)N[*:1] O=S(=O)(c1ccc(c(c1)[*:1])N1CCCCC1)N1CCCCC1
Cc1cnc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cn1 O=S(=O)(N1CCCCC1)[*:1] Cc1cnc(cn1)C(=O)Nc1cc(ccc1N1CCCCC1)[*:1]
COc1ccc(NC(=O)c2ccc(-c3cc(N4CCOCC4)ncn3)cc2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(N[*:1])c1ccc(cc1)-c1cc(ncn1)N1CCOCC1
COc1ccc(NC(=O)c2ccc(-c3cc(N4CCOCC4)ncn3)cc2)c(OC)c1 C1CN(CCO1)[*:1] COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ncn2)[*:1])c(c1)OC
O=C(/C=C/c1ccc(Br)s1)NCc1ccccc1Cl Brc1ccc(s1)[*:1] O=C(C=C[*:1])NCc1ccccc1Cl
O=S(=O)(NCCc1ccco1)c1ccc(Cl)s1 c1coc(c1)[*:1] O=S(=O)(NCC[*:1])c1ccc(Cl)s1
C[C@@H](C1CC1)N(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 c1csc(c1)[*:1] C[C@@H](C1CC1)N(C(=O)NC[C@H]([NH+]1CCCC1)[*:1])C1CC1
C[C@@H](C1CC1)N(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 C[C@@H](C1CC1)[*:1] O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N(C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[*:1]
Cc1ccccc1CN(C)C(=O)CO/N=C(\N)c1ccc(N(C)C)cc1 CN(C)[*:1] Cc1ccccc1CN(C)C(=O)CO/N=C(\N)c1ccc(cc1)[*:1]
Cc1ccccc1CN(C)C(=O)CO/N=C(\N)c1ccc(N(C)C)cc1 Cc1ccccc1C[*:1] CN(C)c1ccc(cc1)/C(N)=N/OCC(=O)N(C)[*:1]
Cc1ccccc1CN(C)C(=O)CO/N=C(\N)c1ccc(N(C)C)cc1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)CO/N=C(\N)c1ccc(cc1)N(C)C
C[C@H](Sc1nnnn1C1CC1)C1=NC(=O)C2=C(c3ccccc3)CSC2=N1 C1CC1n1nnnc1[*:1] C[C@H](S[*:1])C1N=C2SCC(=C2C(=O)N=1)c1ccccc1
C[C@H](Sc1nnnn1C1CC1)C1=NC(=O)C2=C(c3ccccc3)CSC2=N1 c1ccc(cc1)[*:1] C[C@H](Sc1nnnn1C1CC1)C1N=C2SCC(=C2C(=O)N=1)[*:1]
C[C@H](Sc1nnnn1C1CC1)C1=NC(=O)C2=C(c3ccccc3)CSC2=N1 C1CC1[*:1] C[C@H](Sc1nnnn1[*:1])C1N=C2SCC(=C2C(=O)N=1)c1ccccc1
C[C@H](Sc1nnnn1C1CC1)C1=NC(=O)C2=C(c3ccccc3)CSC2=N1 C1CC1n1nnnc1S[*:1] C[C@H](C1N=C2SCC(=C2C(=O)N=1)c1ccccc1)[*:1]
CC(=O)c1ccnc(OC2C[C@H](C)C[C@@H](C)C2)c1 CC(=O)[*:1] C[C@H]1CC(C[C@H](C)C1)Oc1cc(ccn1)[*:1]
Cc1cccc(OCC(=O)NNC(=O)c2ccccc2I)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])NNC(=O)c1ccccc1I
Cc1cccc(OCC(=O)NNC(=O)c2ccccc2I)c1 Ic1ccccc1[*:1] Cc1cccc(c1)OCC(=O)NNC(=O)[*:1]
Cc1n[nH]c(C)c1CCC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 Cc1n[nH]c(C)c1C[*:1] O=C1COc2ccc(cc2N1)C(=O)C1CCN(CC1)C(=O)C[*:1]
Cc1n[nH]c(C)c1CCC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 Cc1n[nH]c(C)c1CC[*:1] O=C1COc2ccc(cc2N1)C(=O)C1CCN(CC1)C(=O)[*:1]
Cc1n[nH]c(C)c1CCC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 Cc1n[nH]c(C)c1[*:1] O=C1COc2ccc(cc2N1)C(=O)C1CCN(CC1)C(=O)CC[*:1]
CC[C@@H]([NH2+][C@@H](C)c1nc2cc(Cl)ccc2n1C)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H]([NH2+][C@@H](C)c1nc2cc(Cl)ccc2n1C)[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)N(C)c1cccnc1N(C)C CN(C)[*:1] CCCC(=O)N1CSC[C@@H]1C(=O)N(C)c1cccnc1[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)N(C)c1cccnc1N(C)C CCC[*:1] CN(C)c1ncccc1N(C)C(=O)[C@H]1CSCN1C(=O)[*:1]
Cc1c(S(=O)(=O)CCNC(=O)NCc2ccc(Cl)cc2)c2ccccc2n1C Clc1ccc(cc1)C[*:1] Cc1c(c2ccccc2n1C)S(=O)(=O)CCNC(=O)N[*:1]
Cc1c(S(=O)(=O)CCNC(=O)NCc2ccc(Cl)cc2)c2ccccc2n1C Clc1ccc(cc1)[*:1] Cc1c(c2ccccc2n1C)S(=O)(=O)CCNC(=O)NC[*:1]
CC(=O)c1cc2c(N)c(C(=O)Nc3cccc4nsnc34)sc2nc1C CC(=O)[*:1] Cc1nc2sc(C(=O)Nc3cccc4nsnc34)c(N)c2cc1[*:1]
CC[NH2+][C@@H](Cc1cnn(C)c1)[C@H]1CN2CCC[C@@H]2CO1 Cn1cc(cn1)[*:1] CC[NH2+][C@@H](C[*:1])[C@H]1CN2CCC[C@@H]2CO1
Cc1ccccc1Cc1noc(CNc2ccc(F)c(C(N)=O)c2)n1 Cc1ccccc1[*:1] NC(=O)c1cc(ccc1F)NCc1nc(C[*:1])no1
Cc1ccccc1Cc1noc(CNc2ccc(F)c(C(N)=O)c2)n1 NC(=O)[*:1] Cc1ccccc1Cc1noc(CNc2ccc(F)c(c2)[*:1])n1
Cc1ccccc1Cc1noc(CNc2ccc(F)c(C(N)=O)c2)n1 Cc1ccccc1C[*:1] NC(=O)c1cc(ccc1F)NCc1nc(no1)[*:1]
Cc1nc2sccn2c1C[NH+](CCC1CCCCC1)CC(N)=O NC(=O)C[*:1] Cc1nc2sccn2c1C[NH+](CCC1CCCCC1)[*:1]
Cc1nc2sccn2c1C[NH+](CCC1CCCCC1)CC(N)=O C1CCC(CC1)[*:1] Cc1nc2sccn2c1C[NH+](CC[*:1])CC(N)=O
Cc1nc2sccn2c1C[NH+](CCC1CCCCC1)CC(N)=O NC(=O)[*:1] Cc1nc2sccn2c1C[NH+](CCC1CCCCC1)C[*:1]
Cc1nc2sccn2c1C[NH+](CCC1CCCCC1)CC(N)=O C1CCC(CC1)C[*:1] Cc1nc2sccn2c1C[NH+](CC(N)=O)C[*:1]
Cc1cccc(O[C@H](C)C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 Cc1cccc(c1)O[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)[C@@H](C)[*:1]
Cc1cccc(O[C@H](C)C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N(C)[C@H](C)c1ccc(cc1)[S@](C)=O
Cc1cccc(O[C@H](C)C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 C[S@](=O)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N[C@@H]1CCc2ccccc21 O=C(N1CCSCC1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H]1CCc2ccccc21)[*:1]
Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N[C@@H]1CCc2ccccc21 c1ccc2c(c1)CC[C@H]2[*:1] Cc1ccc(cc1NC(=O)N[*:1])C(=O)N1CCSCC1
Brc1cccc(CSc2ncc(-c3ccccc3)nn2)c1 Brc1cccc(c1)[*:1] c1ccc(cc1)-c1cnc(nn1)SC[*:1]
Brc1cccc(CSc2ncc(-c3ccccc3)nn2)c1 c1ccc(cc1)[*:1] Brc1cccc(c1)CSc1ncc(nn1)[*:1]
CCC(CC)(CNC(=O)N[C@H](C)c1ccncc1)S(C)(=O)=O CS(=O)(=O)[*:1] CCC(CC)(CNC(=O)N[C@H](C)c1ccncc1)[*:1]
CCC(CC)(CNC(=O)N[C@H](C)c1ccncc1)S(C)(=O)=O c1cc(ccn1)[*:1] CCC(CC)(CNC(=O)N[C@H](C)[*:1])S(C)(=O)=O
COc1ccccc1OCC(=O)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 COc1ccccc1O[*:1] O=C(C[*:1])N1CCCC[C@@H]1c1nc(cc(=O)[nH]1)-c1ccsc1
COc1ccccc1OCC(=O)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 COc1ccccc1OC[*:1] O=C(N1CCCC[C@@H]1c1nc(cc(=O)[nH]1)-c1ccsc1)[*:1]
COc1ccccc1OCC(=O)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 COc1ccccc1[*:1] O=C(CO[*:1])N1CCCC[C@@H]1c1nc(cc(=O)[nH]1)-c1ccsc1
COc1ccccc1OCC(=O)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 c1cc(cs1)[*:1] COc1ccccc1OCC(=O)N1CCCC[C@@H]1c1nc(cc(=O)[nH]1)[*:1]
CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc(C(=O)N(C)C)c1C COc1ccccc1[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc(C(=O)N(C)C)c1C
CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc(C(=O)N(C)C)c1C CN(C)C(=O)[*:1] CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc(c1C)[*:1]
CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc(C(=O)N(C)C)c1C CCOC(=O)[*:1] COc1ccccc1C(=O)Nc1sc(C(=O)N(C)C)c(C)c1[*:1]
C=CCC[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 C=CC[*:1] C[C@H](C[*:1])[NH+]1CCN(CC1)c1ccc(O)cc1
C=CCC[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 C=CCC[*:1] C[C@@H]([NH+]1CCN(CC1)c1ccc(O)cc1)[*:1]
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C#N)C(C)(C)C)c1C CCC[*:1] Cc1cc(/C=C(/C#N)C(=O)N[C@H](C#N)C(C)(C)C)c(C)n1C[*:1]
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C#N)C(C)(C)C)c1C CC(C)(C)[*:1] CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C#N)[*:1])c1C
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C#N)C(C)(C)C)c1C CCCC[*:1] Cc1cc(/C=C(/C#N)C(=O)N[C@H](C#N)C(C)(C)C)c(C)n1[*:1]
Cc1cccc(Cn2nccc2NC(=O)COc2ccc(Br)cc2C=O)c1 O=Cc1cc(Br)ccc1[*:1] Cc1cccc(c1)Cn1nccc1NC(=O)CO[*:1]
Cc1cccc(Cn2nccc2NC(=O)COc2ccc(Br)cc2C=O)c1 Cc1cccc(c1)[*:1] O=Cc1cc(Br)ccc1OCC(=O)Nc1ccnn1C[*:1]
Cc1cccc(Cn2nccc2NC(=O)COc2ccc(Br)cc2C=O)c1 Cc1cccc(c1)C[*:1] O=Cc1cc(Br)ccc1OCC(=O)Nc1ccnn1[*:1]
COC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1csc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] COC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1csc(n1)[*:1]
COC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1csc(Cc2ccccc2)n1 COC(=O)[*:1] O=C(Cc1csc(Cc2ccccc2)n1)N1c2ccccc2C[C@@H]1[*:1]
COC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1csc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] COC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1csc(C[*:1])n1
O=C([O-])C1(CCc2ccc3c(c2)CCO3)CCCCCC1 O=C([O-])[*:1] c1cc2OCCc2cc1CCC1(CCCCCC1)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)CSCC(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CSCC(=O)N[*:1]
C[C@@H](CO)NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] C[C@@H](CO)NC(=O)Nc1cnn(c1)-c1ccc(cc1)[*:1]
C[C@@H](CO)NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 C[C@@H](CO)[*:1] O=C(Nc1cnn(c1)-c1ccc(cc1)C(F)(F)F)N[*:1]
Cc1[nH]ncc1CCCNC(=O)NC[C@H]1C[C@@]12CCc1ccccc12 Cc1[nH]ncc1C[*:1] O=C(NCC[*:1])NC[C@H]1C[C@@]12CCc1ccccc12
Cc1[nH]ncc1CCCNC(=O)NC[C@H]1C[C@@]12CCc1ccccc12 Cc1[nH]ncc1CC[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)NC[*:1]
Cc1[nH]ncc1CCCNC(=O)NC[C@H]1C[C@@]12CCc1ccccc12 Cc1[nH]ncc1[*:1] O=C(NCCC[*:1])NC[C@H]1C[C@@]12CCc1ccccc12
O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 Clc1cccc(c1)[*:1] O=C(N[*:1])N1CCCN(CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2
CCc1ccccc1NC(=O)c1cnc2scc(-c3ccc(F)cc3)n2c1=O CCc1ccccc1[*:1] O=C(N[*:1])c1cnc2scc(-c3ccc(F)cc3)n2c1=O
CCc1ccccc1NC(=O)c1cnc2scc(-c3ccc(F)cc3)n2c1=O Fc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)c1cnc2scc(n2c1=O)[*:1]
C#CCn1cc(CN(C)Cc2ccc(F)c(C(F)(F)F)c2)cn1 C#CC[*:1] CN(Cc1ccc(F)c(c1)C(F)(F)F)Cc1cnn(c1)[*:1]
C#CCn1cc(CN(C)Cc2ccc(F)c(C(F)(F)F)c2)cn1 FC(F)(F)[*:1] C#CCn1cc(cn1)CN(C)Cc1ccc(F)c(c1)[*:1]
CCOc1cccc2sc(NC(=O)[C@H](C)c3nn(CC)c(=O)c4ccccc34)nc12 CCO[*:1] CCn1nc(c2ccccc2c1=O)[C@@H](C)C(=O)Nc1nc2c(cccc2s1)[*:1]
CCOc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1[C@@H](C)N=N2 CCO[*:1] C[C@H]1N=NC2OC(N)=C(C#N)[C@@H](C=21)c1ccccc1[*:1]
COc1ccccc1-n1nnc(C(=O)[O-])c1-c1ccc(Cl)cc1 O=C([O-])[*:1] COc1ccccc1-n1nnc(c1-c1ccc(Cl)cc1)[*:1]
COc1ccccc1-n1nnc(C(=O)[O-])c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccccc1-n1nnc(C(=O)[O-])c1[*:1]
COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+](C)Cc2nccn2C)cc1F COc1ccc(cc1F)[*:1] Cc1ccccc1-n1cc(C[NH+](C)Cc2nccn2C)c(n1)[*:1]
COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+](C)Cc2nccn2C)cc1F Cc1ccccc1[*:1] COc1ccc(cc1F)-c1nn(cc1C[NH+](C)Cc1nccn1C)[*:1]
COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+](C)Cc2nccn2C)cc1F Cn1ccnc1[*:1] COc1ccc(cc1F)-c1nn(cc1C[NH+](C)C[*:1])-c1ccccc1C
C[C@@H](OC(=O)c1ccc(C(=O)N(C)C)cc1)[C@H]1CCOC1 CN(C)C(=O)[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])[C@H]1CCOC1
CC[NH2+][C@H](Cc1nc2ccccc2n1CC)c1ccco1 c1coc(c1)[*:1] CC[NH2+][C@H](Cc1nc2ccccc2n1CC)[*:1]
Cc1nc([C@@H]2CCCN2C(=O)c2nccc3ccccc23)ncc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1nc(ncc1[*:1])[C@@H]1CCCN1C(=O)c1nccc2ccccc12
Cc1nc([C@@H]2CCCN2C(=O)c2nccc3ccccc23)ncc1C(=O)N1CCOCC1 c1ccc2c(nccc2c1)[*:1] Cc1nc(ncc1C(=O)N1CCOCC1)[C@@H]1CCCN1C(=O)[*:1]
Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1C1CCCCC1 C1CCC(CC1)[*:1] Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1[*:1]
Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1C1CCCCC1 c1ccc(cc1)[*:1] Cc1nnc(S[C@@H](C)C(=O)N[*:1])n1C1CCCCC1
CNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3onc(C)c23)CC1 CC(C)[*:1] CNC(=O)CN1CCN(CC1)C(=O)c1cc(nc2onc(C)c12)[*:1]
CNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3onc(C)c23)CC1 CNC(=O)C[*:1] Cc1noc2nc(cc(C(=O)N3CCN(CC3)[*:1])c12)C(C)C
CNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3onc(C)c23)CC1 CNC(=O)[*:1] Cc1noc2nc(cc(C(=O)N3CCN(CC3)C[*:1])c12)C(C)C
COc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)cc1 COc1ccc(cc1)C[*:1] Cc1cccn2c(=O)c3cc(sc3nc12)C(=O)N[*:1]
COc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)cc1 COc1ccc(cc1)[*:1] Cc1cccn2c(=O)c3cc(sc3nc12)C(=O)NC[*:1]
O=C(NCc1nnc(-c2ccncc2)o1)c1ccccc1 c1cc(ccn1)[*:1] O=C(NCc1nnc(o1)[*:1])c1ccccc1
O=C(NCc1nnc(-c2ccncc2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1nnc(o1)-c1ccncc1)[*:1]
CCn1c(SCC(=O)Nc2nc3ccccc3s2)nc2c1c(=O)n(C)c(=O)n2C c1ccc2sc(nc2c1)[*:1] CCn1c(nc2c1c(=O)n(C)c(=O)n2C)SCC(=O)N[*:1]
Nc1c(NCCCC(=O)NC2CC2)ccc2ncccc12 O=C(C[*:1])NC1CC1 Nc1c(ccc2ncccc12)NCC[*:1]
Nc1c(NCCCC(=O)NC2CC2)ccc2ncccc12 C1CC1[*:1] Nc1c(ccc2ncccc12)NCCCC(=O)N[*:1]
Nc1c(NCCCC(=O)NC2CC2)ccc2ncccc12 O=C(NC1CC1)[*:1] Nc1c(ccc2ncccc12)NCCC[*:1]
CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)C1CCCCC1 Cc1ccc(cc1C)[*:1] CCN(C(=O)C1CCN(CC1)S(=O)(=O)[*:1])C1CCCCC1
CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)c(C)c1)[*:1]
CCC[C@H]1CCC(=O)[C@H](C[C@@H]2CCCCO2)C1 CCC[*:1] O=C1CC[C@@H](C[C@H]1C[C@@H]1CCCCO1)[*:1]
CC(=O)c1cc([N+](=O)[O-])ccc1SC[C@@H](O)CO CC(=O)[*:1] O=[N+]([O-])c1ccc(SC[C@@H](O)CO)c(c1)[*:1]
CC(=O)c1cc([N+](=O)[O-])ccc1SC[C@@H](O)CO OC[C@H](O)CS[*:1] CC(=O)c1cc(ccc1[*:1])[N+](=O)[O-]
CC(=O)c1cc([N+](=O)[O-])ccc1SC[C@@H](O)CO OC[C@H](O)C[*:1] CC(=O)c1cc(ccc1S[*:1])[N+](=O)[O-]
CC(=O)c1cc([N+](=O)[O-])ccc1SC[C@@H](O)CO O=[N+]([O-])[*:1] CC(=O)c1cc(ccc1SC[C@@H](O)CO)[*:1]
CC(=O)c1cc([N+](=O)[O-])ccc1SC[C@@H](O)CO OC[C@H](O)[*:1] CC(=O)c1cc(ccc1SC[*:1])[N+](=O)[O-]
Cc1ccccc1NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 c1csc(c1)[*:1] Cc1ccccc1NC(=O)c1cc(n(n1)[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccccc1NC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 Cc1ccccc1[*:1] O=C(N[*:1])c1cc(-c2cccs2)n(n1)[C@H]1CCS(=O)(=O)C1
C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 Clc1ccc(cc1)O[*:1] C[C@@H](C(=O)[C@@H](C#N)c1ccc(cn1)C(F)(F)F)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1ccc(cn1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 Clc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)[C@@H](C#N)c1ccc(cn1)C(F)(F)F
Cc1cccc(NC(=O)[C@H](C)Sc2nc3ccc(C)cc3[nH]2)c1 Cc1cccc(c1)[*:1] Cc1ccc2nc([nH]c2c1)S[C@@H](C)C(=O)N[*:1]
C[C@H](CSc1ccc(F)c(F)c1)/C(N)=N/O N/C(=N\O)[*:1] C[C@H](CSc1ccc(F)c(F)c1)[*:1]
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)Cn1ccc2ccccc21 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])NNC(=O)Cn1ccc2ccccc21
COc1ccccc1OCC(=O)Nc1ccc2c(=O)c3cc(C)c(C)cc3oc2c1 COc1ccccc1OC[*:1] Cc1cc2oc3cc(ccc3c(=O)c2cc1C)NC(=O)[*:1]
COc1ccccc1OCC(=O)Nc1ccc2c(=O)c3cc(C)c(C)cc3oc2c1 COc1ccccc1O[*:1] Cc1cc2oc3cc(ccc3c(=O)c2cc1C)NC(=O)C[*:1]
COc1ccccc1OCC(=O)Nc1ccc2c(=O)c3cc(C)c(C)cc3oc2c1 COc1ccccc1[*:1] Cc1cc2oc3cc(ccc3c(=O)c2cc1C)NC(=O)CO[*:1]
CCC[NH2+][C@@H](C(C)C)[C@@H]1CCO[C@H](C(C)C)C1 CC(C)[*:1] CCC[NH2+][C@@H]([C@@H]1CCO[C@@H](C1)C(C)C)[*:1]
CCC[NH2+][C@@H](C(C)C)[C@@H]1CCO[C@H](C(C)C)C1 CC(C)[*:1] CCC[NH2+][C@@H](C(C)C)[C@@H]1CCO[C@H](C1)[*:1]
CCC[NH2+][C@@H](C(C)C)[C@@H]1CCO[C@H](C(C)C)C1 CCC[*:1] CC(C)[C@@H]1C[C@@H](CCO1)[C@@H]([NH2+][*:1])C(C)C
CS(=O)(=O)c1ccc(-n2nnc(C(=O)[O-])c2-c2cc(F)cc(F)c2)cc1 O=C([O-])[*:1] CS(=O)(=O)c1ccc(cc1)-n1nnc(c1-c1cc(F)cc(F)c1)[*:1]
CS(=O)(=O)c1ccc(-n2nnc(C(=O)[O-])c2-c2cc(F)cc(F)c2)cc1 Fc1cc(F)cc(c1)[*:1] CS(=O)(=O)c1ccc(cc1)-n1nnc(C(=O)[O-])c1[*:1]
CS(=O)(=O)c1ccc(-n2nnc(C(=O)[O-])c2-c2cc(F)cc(F)c2)cc1 CS(=O)(=O)[*:1] O=C([O-])c1nnn(-c2ccc(cc2)[*:1])c1-c1cc(F)cc(F)c1
COc1cccc2c1OCCCN(C(=O)c1cc(-c3ccc(C)o3)n[nH]1)C2 Cc1ccc(o1)[*:1] COc1cccc2CN(CCCOc21)C(=O)c1cc(n[nH]1)[*:1]
Cc1cc(C)cc(NC(=O)CS[C@@H](C)[C@H](C)O)c1 C[C@H](O)[*:1] Cc1cc(C)cc(c1)NC(=O)CS[C@@H](C)[*:1]
Cc1cnc(N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(N[C@@H](C)c2ccc(cc2)N2CCCC2=O)c(c1)[*:1]
Cc1cnc(N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])c1 O=C1CCCN1[*:1] Cc1cnc(N[C@@H](C)c2ccc(cc2)[*:1])c(c1)[N+](=O)[O-]
O=S(=O)(/C=C/c1ccccc1Cl)N1CCCC[C@H]1C1OCCO1 Clc1ccccc1[*:1] O=S(=O)(C=C[*:1])N1CCCC[C@H]1C1OCCO1
O=S(=O)(/C=C/c1ccccc1Cl)N1CCCC[C@H]1C1OCCO1 C1COC(O1)[*:1] O=S(=O)(/C=C/c1ccccc1Cl)N1CCCC[C@@H]1[*:1]
[NH3+]C[C@@]1([C@H](O)c2cccnc2)CCc2ccccc2C1 c1cncc(c1)[*:1] [NH3+]C[C@]1(CCc2ccccc2C1)[C@H](O)[*:1]
CCOCc1ccc(NC(=O)c2cncc(C(=O)OC)c2)cc1 CCOC[*:1] COC(=O)c1cncc(c1)C(=O)Nc1ccc(cc1)[*:1]
CCOCc1ccc(NC(=O)c2cncc(C(=O)OC)c2)cc1 COC(=O)[*:1] CCOCc1ccc(cc1)NC(=O)c1cncc(c1)[*:1]
CCOCc1ccc(NC(=O)c2cncc(C(=O)OC)c2)cc1 CCO[*:1] COC(=O)c1cncc(c1)C(=O)Nc1ccc(cc1)C[*:1]
Cc1noc(-c2ccnc(NCc3ccnc(OCC(F)F)c3)c2)n1 FC(F)CO[*:1] Cc1noc(n1)-c1ccnc(c1)NCc1ccnc(c1)[*:1]
Cc1noc(-c2ccnc(NCc3ccnc(OCC(F)F)c3)c2)n1 FC(F)[*:1] Cc1noc(n1)-c1ccnc(c1)NCc1ccnc(c1)OC[*:1]
Cc1noc(-c2ccnc(NCc3ccnc(OCC(F)F)c3)c2)n1 Cc1noc(n1)[*:1] FC(F)COc1cc(ccn1)CNc1cc(ccn1)[*:1]
Cc1noc(-c2ccnc(NCc3ccnc(OCC(F)F)c3)c2)n1 FC(F)C[*:1] Cc1noc(n1)-c1ccnc(c1)NCc1ccnc(c1)O[*:1]
Cc1ccc(OCc2cc(C(=O)N3CCC([C@@H](O)C(C)C)CC3)no2)cc1C CC(C)[*:1] Cc1ccc(cc1C)OCc1cc(no1)C(=O)N1CCC(CC1)[C@@H](O)[*:1]
Cc1ccc(OCc2cc(C(=O)N3CCC([C@@H](O)C(C)C)CC3)no2)cc1C Cc1ccc(cc1C)O[*:1] CC(C)[C@H](O)C1CCN(CC1)C(=O)c1cc(C[*:1])on1
Cc1ccc(OCc2cc(C(=O)N3CCC([C@@H](O)C(C)C)CC3)no2)cc1C Cc1ccc(cc1C)[*:1] CC(C)[C@H](O)C1CCN(CC1)C(=O)c1cc(CO[*:1])on1
CCn1cc(-c2nnc(SCc3ccccc3Cl)n2C)cn1 Clc1ccccc1[*:1] CCn1cc(cn1)-c1nnc(SC[*:1])n1C
CCn1cc(-c2nnc(SCc3ccccc3Cl)n2C)cn1 CCn1cc(cn1)[*:1] Cn1c(nnc1[*:1])SCc1ccccc1Cl
Nc1nn(-c2cc(Cl)ccc2Cl)nc1C(=O)[O-] O=C([O-])[*:1] Nc1nn(nc1[*:1])-c1cc(Cl)ccc1Cl
Cc1ccccc1Cn1c(C)c(N2CCOCC2)c(C)c1C(=O)N1CCOCC1 Cc1ccccc1C[*:1] Cc1c(c(C)n(c1C(=O)N1CCOCC1)[*:1])N1CCOCC1
Cc1ccccc1Cn1c(C)c(N2CCOCC2)c(C)c1C(=O)N1CCOCC1 Cc1ccccc1[*:1] Cc1c(c(C)n(C[*:1])c1C(=O)N1CCOCC1)N1CCOCC1
Cc1ccccc1Cn1c(C)c(N2CCOCC2)c(C)c1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1ccccc1Cn1c(C)c(c(C)c1[*:1])N1CCOCC1
Cc1ccccc1Cn1c(C)c(N2CCOCC2)c(C)c1C(=O)N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccccc1Cn1c(C)c(c(C)c1C(=O)N1CCOCC1)[*:1]
Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(Cc1cccnc1)C2 c1cncc(c1)[*:1] Cn1cc2CN(C[C@H](C(=O)NCCc3c[nH]c4ccc(F)cc34)c2n1)C[*:1]
Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(Cc1cccnc1)C2 Fc1ccc2[nH]cc(c2c1)[*:1] Cn1cc2CN(Cc3cccnc3)C[C@H](C(=O)NCC[*:1])c2n1
Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(Cc1cccnc1)C2 c1cncc(c1)C[*:1] Cn1cc2CN(C[C@H](C(=O)NCCc3c[nH]c4ccc(F)cc34)c2n1)[*:1]
COC(=O)[C@H]1C(=O)/C(=C(/C)N2CCCC2)C(=O)CC1(C)C C1CCN(C1)[*:1] COC(=O)[C@H]1C(=O)C(C(=O)CC1(C)C)=C(C)[*:1]
COC(=O)[C@H]1C(=O)/C(=C(/C)N2CCCC2)C(=O)CC1(C)C COC(=O)[*:1] C/C(=C1\C(=O)CC(C)(C)[C@H](C1=O)[*:1])N1CCCC1
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@@H](C)c1ccccc1F Fc1ccccc1[*:1] Cc1ccc(c(C)c1NC(=O)C[C@@H](C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@@H](C)c1ccccc1F O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)C[C@@H](C)c1ccccc1F)[*:1]
COc1ccccc1N1C[C@@H](C(=O)NN)CC1=O NNC(=O)[*:1] COc1ccccc1N1C[C@@H](CC1=O)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN3C(=O)CSc4ncccc43)cc2)CC1 Cc1ccc(Cl)cc1[*:1] O=C(c1ccc(cc1)CN1C(=O)CSc2ncccc21)N1CCN(CC1)[*:1]
COc1ccc(/C=N/N2[C@@H](S)NN[C@@H]2[C@@H]2C=C(c3ccccc3)N=N2)c(OC)c1OC c1ccc(cc1)[*:1] COc1ccc(/C=N/N2[C@@H](S)NN[C@@H]2[C@@H]2C=C(N=N2)[*:1])c(OC)c1OC
NC1=NC(=O)[C@@H](CC(=O)NCCCCC2CCCC2)S1 C1CCC(C1)C[*:1] NC1=NC(=O)[C@@H](CC(=O)NCCC[*:1])S1
NC1=NC(=O)[C@@H](CC(=O)NCCCCC2CCCC2)S1 C1CCC(C1)[*:1] NC1=NC(=O)[C@@H](CC(=O)NCCCC[*:1])S1
O=C(NCc1ccon1)c1cc2ccccc2[nH]1 c1cc(no1)[*:1] O=C(NC[*:1])c1cc2ccccc2[nH]1
O=C(NCc1ccon1)c1cc2ccccc2[nH]1 c1cc(C[*:1])no1 O=C(N[*:1])c1cc2ccccc2[nH]1
CCNC(=O)NNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[*:1]
COc1ccc([C@H](CNC(=O)N2CCC[C@@H](C)CC2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCCN(CC1)C(=O)NC[C@H]([NH+](C)C)[*:1]
COC(=O)[C@@H](NC(=O)CCC(F)(F)F)c1ccc(F)cc1F FC(F)(F)CC[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(F)cc1F
COC(=O)[C@@H](NC(=O)CCC(F)(F)F)c1ccc(F)cc1F FC(F)(F)C[*:1] COC(=O)[C@@H](NC(=O)C[*:1])c1ccc(F)cc1F
COC(=O)[C@@H](NC(=O)CCC(F)(F)F)c1ccc(F)cc1F FC(F)(F)[*:1] COC(=O)[C@@H](NC(=O)CC[*:1])c1ccc(F)cc1F
COC(=O)[C@@H](NC(=O)CCC(F)(F)F)c1ccc(F)cc1F COC(=O)[*:1] O=C(CCC(F)(F)F)N[C@@H](c1ccc(F)cc1F)[*:1]
C[C@H]1CN(C[C@H](O)Cn2c(-c3ccccc3)noc2=O)C(C)(C)CO1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O)Cn2c(noc2=O)[*:1])C(C)(C)CO1
Cc1cccc(OC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1C Cc1cccc(c1C)[*:1] C[C@@H](C(=O)O[*:1])N1C(=O)[C@H]2CCCC[C@@H]2C1=O
Cc1nc(COc2ccc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)cc2)no1 Cc1nc(no1)[*:1] c1cc(ccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1)OC[*:1]
Cc1nc(COc2ccc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)cc2)no1 Cc1nc(C[*:1])no1 c1cc(ccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1)O[*:1]
Cc1nc(COc2ccc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)cc2)no1 Cc1nc(CO[*:1])no1 c1cc(ccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1)[*:1]
C[C@H](CO[C@@H]1CCOC1)NC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](CO[C@@H]1CCOC1)NC(=O)NCC(C)(C)[*:1]
C[C@H](CO[C@@H]1CCOC1)NC(=O)NCC(C)(C)c1ccncc1 C1C[C@H](CO1)[*:1] C[C@H](CO[*:1])NC(=O)NCC(C)(C)c1ccncc1
C[C@H](CO[C@@H]1CCOC1)NC(=O)NCC(C)(C)c1ccncc1 C1C[C@H](CO1)O[*:1] C[C@H](C[*:1])NC(=O)NCC(C)(C)c1ccncc1
C[C@H](CO[C@@H]1CCOC1)NC(=O)NCC(C)(C)c1ccncc1 C1C[C@H](CO1)OC[*:1] C[C@H](NC(=O)NCC(C)(C)c1ccncc1)[*:1]
CC1CCN(C(=O)c2ccccc2NC(=O)N2CCC[C@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=O)N1CCC[C@@H]1[*:1]
CC1CCN(C(=O)c2ccccc2NC(=O)N2CCC[C@H]2c2ccccc2)CC1 CC1CCN(CC1)C(=O)[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@H]1c1ccccc1
C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 C=CC[*:1] CC1(C)COc2ccc(cc2N(C1=O)[*:1])NS(=O)(=O)c1ccccc1Cl
C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 Clc1ccccc1[*:1] C=CCN1C(=O)C(C)(C)COc2ccc(cc21)NS(=O)(=O)[*:1]
C[C@H](CC1CCOCC1)[NH2+][C@H](CO)CC(C)(C)C C1CC(CCO1)[*:1] C[C@H](C[*:1])[NH2+][C@H](CO)CC(C)(C)C
C[C@H](CC1CCOCC1)[NH2+][C@H](CO)CC(C)(C)C CC(C)(C)C[*:1] C[C@H](CC1CCOCC1)[NH2+][C@H](CO)[*:1]
C[C@H](CC1CCOCC1)[NH2+][C@H](CO)CC(C)(C)C CC(C)(C)[*:1] C[C@H](CC1CCOCC1)[NH2+][C@H](CO)C[*:1]
NC(=O)c1cccc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)n1 NC(=O)[*:1] O=C(Nc1cccc(n1)[*:1])C1(CCOCC1)c1ccc(F)cc1F
NC(=O)c1cccc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)n1 Fc1ccc(c(F)c1)[*:1] NC(=O)c1cccc(n1)NC(=O)C1(CCOCC1)[*:1]
CN(Cc1ccccc1Br)C(=O)[C@H]1Cc2cc(F)ccc2O1 Brc1ccccc1[*:1] CN(C[*:1])C(=O)[C@H]1Cc2cc(F)ccc2O1
CC(C)COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 CC(C)C[*:1] O=C(Nc1ccc2OCOc2c1)[C@H]1CCCN1C(=O)O[*:1]
CC(C)COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 CC(C)[*:1] O=C(Nc1ccc2OCOc2c1)[C@H]1CCCN1C(=O)OC[*:1]
CCn1cnnc1-c1cccc(NC(=O)c2c[nH]nc2-c2ccccc2)c1 c1ccc(cc1)[*:1] CCn1cnnc1-c1cccc(c1)NC(=O)c1c[nH]nc1[*:1]
CCn1cnnc1-c1cccc(NC(=O)c2c[nH]nc2-c2ccccc2)c1 CCn1cnnc1[*:1] O=C(Nc1cccc(c1)[*:1])c1c[nH]nc1-c1ccccc1
CC(C)OCC[NH+]1CCN(Cc2nc3ccccc3n2C)CC1 CC(C)[*:1] Cn1c(CN2CC[NH+](CCO[*:1])CC2)nc2ccccc21
CC(C)OCC[NH+]1CCN(Cc2nc3ccccc3n2C)CC1 CC(C)O[*:1] Cn1c(CN2CC[NH+](CC2)CC[*:1])nc2ccccc21
CC(C)OCC[NH+]1CCN(Cc2nc3ccccc3n2C)CC1 CC(C)OC[*:1] Cn1c(CN2CC[NH+](CC2)C[*:1])nc2ccccc21
CC(C)OCC[NH+]1CCN(Cc2nc3ccccc3n2C)CC1 CC(C)OCC[*:1] Cn1c(CN2CC[NH+](CC2)[*:1])nc2ccccc21
CC(C)[C@@H](C)NC(=O)Cn1c(=S)[nH]c2ccccc2c1=O CC(C)[*:1] C[C@@H](NC(=O)Cn1c(=S)[nH]c2ccccc2c1=O)[*:1]
CC(C)[C@@H](C)NC(=O)Cn1c(=S)[nH]c2ccccc2c1=O CC(C)[C@@H](C)[*:1] O=C(Cn1c(=S)[nH]c2ccccc2c1=O)N[*:1]
CCC[C@H]1CCCN(c2ccc(C#N)c(N)c2)CC1 CCC[*:1] N#Cc1ccc(cc1N)N1CCC[C@@H](CC1)[*:1]
COCC[NH+]1CCC(NCc2cccc(Br)c2OC)CC1 COCC[*:1] COc1c(Br)cccc1CNC1CC[NH+](CC1)[*:1]
COCC[NH+]1CCC(NCc2cccc(Br)c2OC)CC1 COC[*:1] COc1c(Br)cccc1CNC1CC[NH+](CC1)C[*:1]
CCNC(=O)[C@H]1C[NH2+]CCN1[C@@H]1CCO[C@]2(CCSC2)C1 CCNC(=O)[*:1] C1CN([C@@H]2CCO[C@]3(CCSC3)C2)[C@H](C[NH2+]1)[*:1]
C[C@@H](NC(=O)N1C[C@H]2CCCC[C@@H]2C1)c1ccc(S(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)N1C[C@H]2CCCC[C@@H]2C1)c1ccc(c(F)c1)[*:1]
CCCOc1ccc(NC(=O)CNC(C)=O)cc1Cl CCCO[*:1] CC(=O)NCC(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCOc1ccc(NC(=O)CNC(C)=O)cc1Cl CC(=O)NC[*:1] CCCOc1ccc(cc1Cl)NC(=O)[*:1]
CCCOc1ccc(NC(=O)CNC(C)=O)cc1Cl CCC[*:1] CC(=O)NCC(=O)Nc1ccc(O[*:1])c(Cl)c1
CCCOc1ccc(NC(=O)CNC(C)=O)cc1Cl CC(=O)N[*:1] CCCOc1ccc(cc1Cl)NC(=O)C[*:1]
CCC(C)(C)c1nnc(NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)s1 c1ccc(cc1)[*:1] CCC(C)(C)c1nnc(NC(=O)c2ccc(cc2)NC(=O)C[*:1])s1
CCC(C)(C)c1nnc(NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)s1 CCC(C)(C)[*:1] O=C(Cc1ccccc1)Nc1ccc(cc1)C(=O)Nc1nnc(s1)[*:1]
CCC(C)(C)c1nnc(NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)s1 c1ccc(cc1)C[*:1] CCC(C)(C)c1nnc(NC(=O)c2ccc(cc2)NC(=O)[*:1])s1
C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(-c2ccc(Cl)s2)on1 Clc1ccc(s1)[*:1] C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(on1)[*:1]
CCn1nccc1/C=C/C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] CCn1nccc1/C=C/C(=O)N[C@H]1CCCC[C@@H]1O[*:1]
CCn1nccc1/C=C/C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] CCn1nccc1/C=C/C(=O)N[C@H]1CCCC[C@H]1[*:1]
CCn1nccc1/C=C/C(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1 CCn1nccc1[*:1] O=C(C=C[*:1])N[C@H]1CCCC[C@@H]1OC1CCCC1
C[C@H]1Cc2ccccc2N(C(=O)NC2CC2)C1 C1CC1[*:1] C[C@H]1Cc2ccccc2N(C1)C(=O)N[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccsc1)C1CC1 c1cc(cs1)C[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C1CC1)[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccsc1)C1CC1 C1CC1[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccsc1)[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccsc1)C1CC1 c1cc(cs1)[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C[*:1])C1CC1
C[C@@H]1CCN(C(=O)Nc2ccccc2-c2ccncc2)C[C@@H]1O c1cc(ccn1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1ccccc1[*:1]
COc1ccc2c(c1)=C(CCNC(=O)/C=C1/CS[C@H](c3ccc(Cl)cc3)N1)C[NH+]=2 Clc1ccc(cc1)[*:1] COc1ccc2=[NH+]CC(CCNC(=O)/C=C3/CS[C@H](N3)[*:1])=c2c1
C[C@H]1C[C@H]1COC(=O)c1ccnc(C2CC2)n1 C1CC1[*:1] C[C@H]1C[C@H]1COC(=O)c1ccnc(n1)[*:1]
C[C@H]1C[C@H]1COC(=O)c1ccnc(C2CC2)n1 C[C@H]1C[C@@H]1[*:1] O=C(OC[*:1])c1ccnc(n1)C1CC1
C[C@H]1C[C@H]1COC(=O)c1ccnc(C2CC2)n1 C[C@H]1C[C@H]1C[*:1] O=C(O[*:1])c1ccnc(n1)C1CC1
CCOC(=O)[C@H]1[C@H](c2ccccc2[N+](=O)[O-])NC(=S)N[C@]1(O)C(F)(F)F O=[N+]([O-])[*:1] CCOC(=O)[C@H]1[C@@H](NC(=S)N[C@]1(O)C(F)(F)F)c1ccccc1[*:1]
CCOC(=O)[C@H]1[C@H](c2ccccc2[N+](=O)[O-])NC(=S)N[C@]1(O)C(F)(F)F CCOC(=O)[*:1] O=[N+]([O-])c1ccccc1[C@@H]1NC(=S)N[C@@](O)([C@H]1[*:1])C(F)(F)F
CCOC(=O)[C@H]1[C@H](c2ccccc2[N+](=O)[O-])NC(=S)N[C@]1(O)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@H]1[C@@H](NC(=S)N[C@@]1(O)[*:1])c1ccccc1[N+](=O)[O-]
C[C@H]1CCc2c(sc3ncnc(SCC(=O)NCc4ccccc4)c23)C1 c1ccc(cc1)[*:1] C[C@H]1CCc2c(C1)sc1ncnc(SCC(=O)NC[*:1])c21
C[C@H]1CCc2c(sc3ncnc(SCC(=O)NCc4ccccc4)c23)C1 c1ccc(cc1)C[*:1] C[C@H]1CCc2c(C1)sc1ncnc(SCC(=O)N[*:1])c21
CCn1nc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)c2ccccc2c1=O COC(=O)[*:1] CCn1nc(C(=O)N2Cc3ccccc3C[C@H]2[*:1])c2ccccc2c1=O
CCOc1ccccc1S(=O)(=O)N1CCC(Cn2cc[nH+]c2)CC1 CCO[*:1] O=S(=O)(c1ccccc1[*:1])N1CCC(CC1)Cn1cc[nH+]c1
Cc1nc2cc(NC(=O)c3ccc(CNC(N)=O)cc3)ccc2o1 NC(=O)N[*:1] Cc1nc2cc(ccc2o1)NC(=O)c1ccc(cc1)C[*:1]
Cc1nc2cc(NC(=O)c3ccc(CNC(N)=O)cc3)ccc2o1 NC(=O)NC[*:1] Cc1nc2cc(ccc2o1)NC(=O)c1ccc(cc1)[*:1]
CCn1cc(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)cn1 CCn1cc(cn1)[*:1] Cc1cc(Br)cc(C)c1NC(=O)C(=O)[*:1]
NC(=O)CONC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 NC(=O)[*:1] O=C(NOC[*:1])[C@@H]1CC[C@@H]2CCCC[C@@H]2C1
NC(=O)CONC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 NC(=O)C[*:1] O=C(NO[*:1])[C@@H]1CC[C@@H]2CCCC[C@@H]2C1
C[C@H]1OCC[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H]1OCC[C@@H]1C(=O)NNc1ccc(cc1)O[*:1]
C[C@H]1OCC[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@H]1OCC[C@@H]1C(=O)NNc1ccc(cc1)[*:1]
CC[C@H]1CN(C(=O)CCNC(=O)c2ccco2)CC[C@@H]1c1ccccc1 c1coc(c1)[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)CCNC(=O)[*:1]
CC[C@H]1CN(C(=O)CCNC(=O)c2ccco2)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@H]1[*:1])C(=O)CCNC(=O)c1ccco1
CC[C@H]1CN(C(=O)CCNC(=O)c2ccco2)CC[C@@H]1c1ccccc1 O=C(N[*:1])c1ccco1 CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)CC[*:1]
COC(=O)C1(c2nnc(C)n2C)CC1 COC(=O)[*:1] Cc1nnc(n1C)C1(CC1)[*:1]
CCN1CC(=O)Nc2cc(C(=O)NC[C@H](C)c3cccc(C)c3)ccc21 Cc1cccc(c1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)NC[C@H](C)[*:1]
Cc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4cc(C)ccc4C)nc3s2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)NCc1cc(=O)n2nc(sc2n1)[*:1]
Cc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4cc(C)ccc4C)nc3s2)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(cc1)-c1nn2c(=O)cc(CNC(=O)N[*:1])nc2s1
O=C(CC[NH2+]Cc1ccc[nH]1)NC1CC1 c1c[nH]c(c1)[*:1] O=C(CC[NH2+]C[*:1])NC1CC1
O=C(CC[NH2+]Cc1ccc[nH]1)NC1CC1 C1CC1[*:1] O=C(CC[NH2+]Cc1ccc[nH]1)N[*:1]
O=C(NCCOc1ccccc1C(F)(F)F)N[C@@H]1C=C[C@H](CO)C1 FC(F)(F)[*:1] O=C(NCCOc1ccccc1[*:1])N[C@@H]1C=C[C@H](CO)C1
CCOc1cc2c(cc1NC(=O)c1cnn(C(C)C)c1C)O[C@H](C)C2 CCO[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1cc2O[C@H](C)Cc2cc1[*:1]
CCOc1cc2c(cc1NC(=O)c1cnn(C(C)C)c1C)O[C@H](C)C2 CC(C)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)c1cnn(c1C)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCC[NH+](C(C)C)C1CC1 CC(C)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCC[NH+](C1CC1)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCC[NH+](C(C)C)C1CC1 C1CC1[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCC[NH+](C(C)C)[*:1]
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H](CCO)c1cccs1 OCC[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCC1)N[C@H](c1cccs1)[*:1]
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H](CCO)c1cccs1 c1csc(c1)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCC1)N[C@H](CCO)[*:1]
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H](CCO)c1cccs1 C1CCN(CC1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])N[C@H](CCO)c1cccs1
Cc1cc(NC(=O)C[C@H](C)NC(=O)c2ccccc2)ccn1 Cc1cc(ccn1)[*:1] C[C@@H](CC(=O)N[*:1])NC(=O)c1ccccc1
Cc1cc(NC(=O)C[C@H](C)NC(=O)c2ccccc2)ccn1 c1ccc(cc1)[*:1] Cc1cc(ccn1)NC(=O)C[C@H](C)NC(=O)[*:1]
COc1ccc(NC(=O)C(=O)NCC2CCN(c3ncccn3)CC2)cc1 c1cnc(nc1)[*:1] COc1ccc(cc1)NC(=O)C(=O)NCC1CCN(CC1)[*:1]
COc1ccc(NC(=O)C(=O)NCC2CCN(c3ncccn3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)c1ncccn1)C(=O)N[*:1]
O=C(Nc1ccccc1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Nc1ccccc1)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1)c1ccc(C(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)C(F)(F)F
CCOC(=O)[C@H]1CCCN(c2ncnc(Nc3cccc(Cl)c3)c2N)C1 CCOC(=O)[*:1] Nc1c(ncnc1N1CCC[C@@H](C1)[*:1])Nc1cccc(Cl)c1
CCOC(=O)[C@H]1CCCN(c2ncnc(Nc3cccc(Cl)c3)c2N)C1 Clc1cccc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)c1ncnc(N[*:1])c1N
CCOC(=O)[C@H]1CCCN(c2ncnc(Nc3cccc(Cl)c3)c2N)C1 Clc1cccc(c1)N[*:1] CCOC(=O)[C@H]1CCCN(C1)c1ncnc(c1N)[*:1]
O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=CC=NN21 Clc1ccc(c(Cl)c1)[*:1] O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2C=CC=NN21)[*:1]
O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=CC=NN21 O=C(Nc1ccc(Cl)cc1)[*:1] O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@@H](N1N=CC=C[C@H]21)[*:1]
O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=CC=NN21 Clc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2C=CC=NN21)c1ccc(Cl)cc1Cl
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)C(C)C)n2CCOC COC[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)C(C)C)n2C[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)C(C)C)n2CCOC CC(C)[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)[*:1])n2CCOC
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)C(C)C)n2CCOC COCC[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)C(C)C)n2[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)C(C)C)n2CCOC CCOC(=O)[*:1] COCCn1/c(=N/C(=O)C(C)C)sc2cc(ccc21)[*:1]
Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)[*:1]
C/C(=N\O)[C@@H]1C[C@@H](CC(=O)[O-])C1(C)C O=C([O-])[*:1] C/C(=N\O)[C@@H]1C[C@@H](C[*:1])C1(C)C
C/C(=N\O)[C@@H]1C[C@@H](CC(=O)[O-])C1(C)C O=C([O-])C[*:1] C/C(=N\O)[C@@H]1C[C@@H](C1(C)C)[*:1]
C/C(=N\O)[C@@H]1C[C@@H](CC(=O)[O-])C1(C)C CC(=NO)[*:1] CC1(C)[C@H](CC(=O)[O-])C[C@H]1[*:1]
O=C(N[C@H]1CC[C@H]1[NH2+]C1CCCCCCC1)c1ccccc1-n1cncn1 c1ncn(n1)[*:1] O=C(N[C@H]1CC[C@H]1[NH2+]C1CCCCCCC1)c1ccccc1[*:1]
O=C(N[C@H]1CC[C@H]1[NH2+]C1CCCCCCC1)c1ccccc1-n1cncn1 C1CCCC(CCC1)[*:1] O=C(N[C@H]1CC[C@H]1[NH2+][*:1])c1ccccc1-n1cncn1
CC(C)N[C@@]1(C#N)CCC[C@H]1CCSc1ncccc1Br Brc1cccnc1[*:1] CC(C)N[C@@]1(C#N)CCC[C@H]1CCS[*:1]
CC(C)N[C@@]1(C#N)CCC[C@H]1CCSc1ncccc1Br CC(C)[*:1] N#C[C@@]1(CCC[C@H]1CCSc1ncccc1Br)N[*:1]
CC(C)N[C@@]1(C#N)CCC[C@H]1CCSc1ncccc1Br CC(C)N[*:1] N#C[C@]1(CCC[C@H]1CCSc1ncccc1Br)[*:1]
COc1ccc(CCC(=O)N(C)CCS(C)(=O)=O)cc1F CS(=O)(=O)CC[*:1] COc1ccc(cc1F)CCC(=O)N(C)[*:1]
COc1ccc(CCC(=O)N(C)CCS(C)(=O)=O)cc1F CS(=O)(=O)C[*:1] COc1ccc(cc1F)CCC(=O)N(C)C[*:1]
COc1ccc(CCC(=O)N(C)CCS(C)(=O)=O)cc1F CS(=O)(=O)[*:1] COc1ccc(cc1F)CCC(=O)N(C)CC[*:1]
C[C@]1(c2cccc(NC(=O)c3ccc(-c4cc(Cl)cc(Cl)c4)s3)c2)NC(=O)NC1=O Clc1cc(Cl)cc(c1)[*:1] C[C@@]1(NC(=O)NC1=O)c1cccc(c1)NC(=O)c1ccc(s1)[*:1]
CC[C@@H](CC#N)[NH2+]Cc1cnn(C)c1C N#CC[*:1] CC[C@@H]([NH2+]Cc1cnn(C)c1C)[*:1]
O=C([O-])[C@H]1CC[C@@H](CNc2ccccc2C(F)(F)F)O1 O=C([O-])[*:1] FC(F)(F)c1ccccc1NC[C@@H]1CC[C@@H](O1)[*:1]
O=C([O-])[C@H]1CC[C@@H](CNc2ccccc2C(F)(F)F)O1 FC(F)(F)[*:1] O=C([O-])[C@H]1CC[C@@H](CNc2ccccc2[*:1])O1
C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1nccs1 CC(C)(C)C[*:1] C[C@H]([NH2+][C@H](CO)[*:1])c1nccs1
C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1nccs1 CC(C)(C)[*:1] C[C@H]([NH2+][C@H](CO)C[*:1])c1nccs1
C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1nccs1 c1csc(n1)[*:1] C[C@H]([NH2+][C@H](CO)CC(C)(C)C)[*:1]
Cc1cc(=O)c(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] O=C(Nc1cccc(F)c1)c1cccc(c1)NC(=O)[*:1]
Cc1cc(=O)c(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c[nH]1 Fc1cccc(c1)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@H](C1)[*:1]
C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 c1cc(cs1)[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCC[C@@H](C1)S(C)(=O)=O
C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 c1cc(cs1)C[*:1] C[C@H]([NH2+][C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc(F)cc1F O=[N+]([O-])c1csc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(F)cc1F
O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc(F)cc1F O=[N+]([O-])[*:1] O=C(Nc1nc(cs1)-c1cc(cs1)[*:1])c1ccc(F)cc1F
O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(Nc1nc(cs1)-c1cc(cs1)[N+](=O)[O-])[*:1]
C=C(C)C[C@@H]1[NH2+][C@@H](CC(=C)C)CC=C1Br C=C(C)C[*:1] C=C(C)C[C@H]1CC=C(Br)[C@@H]([NH2+]1)[*:1]
C=C(C)C[C@@H]1[NH2+][C@@H](CC(=C)C)CC=C1Br C=C(C)[*:1] C=C(C)C[C@H]1CC=C(Br)[C@H](C[*:1])[NH2+]1
C=C(C)C[C@@H]1[NH2+][C@@H](CC(=C)C)CC=C1Br C=C(C)[*:1] C=C(C)C[C@@H]1[NH2+][C@H](CC=C1Br)C[*:1]
C=C(C)C[C@@H]1[NH2+][C@@H](CC(=C)C)CC=C1Br C=C(C)C[*:1] C=C(C)C[C@@H]1[NH2+][C@@H](CC=C1Br)[*:1]
O=C1N[C@@H]2CS[C@@H](CCCCc3nc(-c4ccncc4)no3)[C@H]2N1 c1cc(ccn1)[*:1] O=C1N[C@@H]2CS[C@@H](CCCCc3nc(no3)[*:1])[C@H]2N1
Cc1ccccc1[C@@H]1CN(c2ccc(OC(F)F)cn2)CCO1 FC(F)[*:1] Cc1ccccc1[C@@H]1CN(CCO1)c1ccc(cn1)O[*:1]
Cc1ccccc1[C@@H]1CN(c2ccc(OC(F)F)cn2)CCO1 FC(F)O[*:1] Cc1ccccc1[C@@H]1CN(CCO1)c1ccc(cn1)[*:1]
Cc1ccccc1[C@@H]1CN(c2ccc(OC(F)F)cn2)CCO1 Cc1ccccc1[*:1] FC(F)Oc1ccc(nc1)N1CCO[C@@H](C1)[*:1]
CN1C(=S)N(c2ccccc2)N[C@@]1(C)c1ccccc1 c1ccc(cc1)[*:1] CN1C(=S)N(N[C@@]1(C)c1ccccc1)[*:1]
CN1C(=S)N(c2ccccc2)N[C@@]1(C)c1ccccc1 c1ccc(cc1)[*:1] CN1C(=S)N(N[C@]1(C)[*:1])c1ccccc1
CCOc1cc2c(cc1/C=C1\C(=O)N(C)c3ccccc31)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(/C=C3\C(=O)N(C)c4ccccc43)cc2O1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2cccc(OC)c2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2cccc(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccccc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2cccc(OC)c2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(c1)OC)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2cccc(OC)c2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(c1)OC
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2cccc(OC)c2)cc1 COc1ccc(cc1)C(=O)[*:1] COc1cccc(c1)[C@H]1C(=C([O-])C(=O)N1Cc1ccccc1)[*:1]
C[C@@H](NC(=O)CN(C)c1ccccc1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)CN(C)c1ccccc1)[*:1]
C[C@@H](NC(=O)CN(C)c1ccccc1)c1ccccc1Cl c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN(C)[*:1])c1ccccc1Cl
C[C@@H](CCl)CSc1ncnc2c1CCC2 C[C@@H](CCl)[*:1] c1nc2CCCc2c(n1)SC[*:1]
C[C@@H](CCl)CSc1ncnc2c1CCC2 C[C@@H](CCl)C[*:1] c1nc2CCCc2c(n1)S[*:1]
CCc1ccccc1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 CCc1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)c1nc2ccccc2s1)N[*:1]
CCc1ccccc1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] CCc1ccccc1NC(=O)C[NH+]1CCC(CC1)[*:1]
C[NH+](Cc1ccccc1)Cc1cc(C(=O)NCc2ccc(Cl)s2)no1 Clc1ccc(s1)[*:1] C[NH+](Cc1ccccc1)Cc1cc(no1)C(=O)NC[*:1]
C[NH+](Cc1ccccc1)Cc1cc(C(=O)NCc2ccc(Cl)s2)no1 Clc1ccc(C[*:1])s1 C[NH+](Cc1ccccc1)Cc1cc(no1)C(=O)N[*:1]
C[NH+](Cc1ccccc1)Cc1cc(C(=O)NCc2ccc(Cl)s2)no1 c1ccc(cc1)[*:1] C[NH+](Cc1cc(no1)C(=O)NCc1ccc(Cl)s1)C[*:1]
C[NH+](Cc1ccccc1)Cc1cc(C(=O)NCc2ccc(Cl)s2)no1 c1ccc(cc1)C[*:1] C[NH+](Cc1cc(no1)C(=O)NCc1ccc(Cl)s1)[*:1]
Oc1ccc(N2CCN([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)CC2)cc1 Oc1ccc(cc1)[*:1] O[C@H]1[C@@H](c2ccccc2C12CC[NH2+]CC2)N1CCN(CC1)[*:1]
COc1ccc(Br)cc1Cn1nnc(N)c1C(C)(C)C CC(C)(C)[*:1] COc1ccc(Br)cc1Cn1nnc(N)c1[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(C)cc2)n2nc(SCc3ccccc3F)nc2N1 Fc1ccccc1C[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccnc1)c1ccc(C)cc1)S[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(C)cc2)n2nc(SCc3ccccc3F)nc2N1 Cc1ccc(cc1)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)Nc1cccnc1)[*:1])SCc1ccccc1F
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(C)cc2)n2nc(SCc3ccccc3F)nc2N1 c1cncc(c1)[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)N[*:1])c1ccc(C)cc1)SCc1ccccc1F
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(C)cc2)n2nc(SCc3ccccc3F)nc2N1 Fc1ccccc1CS[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccnc1)c1ccc(C)cc1)[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(C)cc2)n2nc(SCc3ccccc3F)nc2N1 Fc1ccccc1[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccnc1)c1ccc(C)cc1)SC[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(C)cc2)n2nc(SCc3ccccc3F)nc2N1 O=C(Nc1cccnc1)[*:1] CC1Nc2nc(nn2[C@H](C=1[*:1])c1ccc(C)cc1)SCc1ccccc1F
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 CCOC(=O)[*:1] Cn1cc(cn1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 Cn1cc(cn1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
NC(=O)N1CCC(C(=O)NCc2ccccc2Cn2cccn2)CC1 c1cnn(c1)[*:1] NC(=O)N1CCC(CC1)C(=O)NCc1ccccc1C[*:1]
NC(=O)N1CCC(C(=O)NCc2ccccc2Cn2cccn2)CC1 c1cnn(c1)C[*:1] NC(=O)N1CCC(CC1)C(=O)NCc1ccccc1[*:1]
CC(=O)c1cccc(NC(=O)CSC2=NC(=O)[C@@H]3SC(=S)N(c4ccccc4C)C3=N2)c1 CC(=O)c1cccc(c1)[*:1] Cc1ccccc1N1C(=S)S[C@H]2C(=O)N=C(N=C21)SCC(=O)N[*:1]
CC(=O)c1cccc(NC(=O)CSC2=NC(=O)[C@@H]3SC(=S)N(c4ccccc4C)C3=N2)c1 Cc1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=O)CSC1=NC(=O)[C@@H]2SC(=S)N(C2=N1)[*:1]
CC(=O)c1cccc(NC(=O)CSC2=NC(=O)[C@@H]3SC(=S)N(c4ccccc4C)C3=N2)c1 CC(=O)[*:1] Cc1ccccc1N1C(=S)S[C@H]2C(=O)N=C(N=C21)SCC(=O)Nc1cccc(c1)[*:1]
Cc1cc(OCc2ncccc2C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])OCc1ncccc1C
CC(=O)NCCNC(=O)CSc1nccn1-c1cccc(C)c1C CC(=O)NC[*:1] Cc1cccc(c1C)-n1ccnc1SCC(=O)NC[*:1]
CC(=O)NCCNC(=O)CSc1nccn1-c1cccc(C)c1C CC(=O)NCC[*:1] Cc1cccc(c1C)-n1ccnc1SCC(=O)N[*:1]
CC(=O)NCCNC(=O)CSc1nccn1-c1cccc(C)c1C CC(=O)N[*:1] Cc1cccc(c1C)-n1ccnc1SCC(=O)NCC[*:1]
CC(=O)NCCNC(=O)CSc1nccn1-c1cccc(C)c1C Cc1cccc(c1C)[*:1] CC(=O)NCCNC(=O)CSc1nccn1[*:1]
Cc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NN=C[*:1]
Cc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] Cc1ccc(/C=N/NC(=O)CCC(=O)N[*:1])cc1
CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)c1ccco1)n2C c1coc(c1)[*:1] CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)[*:1])n2C
CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)c1ccco1)n2C CC(=O)N[*:1] Cn1/c(=N\C(=O)c2ccco2)sc2cc(ccc21)[*:1]
Cc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)[*:1] Cc1cc(F)ccc1NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)NS(=O)(=O)[*:1] Cc1cc(F)ccc1NC(=O)c1ccc(cc1)[*:1]
Cc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 Cc1cc(F)ccc1[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1ccccc1Cc1nc(CSCC(=O)NC2CC2)no1 C1CC1[*:1] Cc1ccccc1Cc1nc(CSCC(=O)N[*:1])no1
Cc1ccccc1Cc1nc(CSCC(=O)NC2CC2)no1 Cc1ccccc1[*:1] O=C(CSCc1noc(C[*:1])n1)NC1CC1
Cc1ccccc1Cc1nc(CSCC(=O)NC2CC2)no1 O=C(C[*:1])NC1CC1 Cc1ccccc1Cc1nc(CS[*:1])no1
Cc1ccccc1Cc1nc(CSCC(=O)NC2CC2)no1 O=C(NC1CC1)[*:1] Cc1ccccc1Cc1nc(CSC[*:1])no1
C[C@H]([NH2+]Cc1ccc(O)c(Br)c1)c1cnccn1 c1cnc(cn1)[*:1] C[C@H]([NH2+]Cc1ccc(O)c(Br)c1)[*:1]
COc1ccc(N2C[C@H](/C([O-])=N/c3ncn[nH]3)CC2=O)c(OC)c1 c1n[nH]c(n1)[*:1] COc1ccc(c(c1)OC)N1C[C@@H](CC1=O)C([O-])=N[*:1]
CC[C@@H](C)NC(=O)C(=O)Nc1cc(F)ccc1Cl CC[C@@H](C)[*:1] O=C(Nc1cc(F)ccc1Cl)C(=O)N[*:1]
CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 CC(=O)N[*:1] CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(c1)[*:1]
CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 Fc1ccc(cc1)[*:1] CCN(S(=O)(=O)c1ccc(OC)c(c1)NC(C)=O)[*:1]
CC[C@H](C)Sc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 c1ccc(cc1)CC[*:1] CC[C@H](C)Sc1nc2C[C@H](C)Sc2c(=O)n1[*:1]
CC[C@H](C)Sc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 CC[C@H](C)[*:1] C[C@H]1Cc2nc(S[*:1])n(CCc3ccccc3)c(=O)c2S1
CC[C@H](C)Sc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 CC[C@H](C)S[*:1] C[C@H]1Cc2nc(n(CCc3ccccc3)c(=O)c2S1)[*:1]
CC[C@H](C)Sc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 c1ccc(cc1)C[*:1] CC[C@H](C)Sc1nc2C[C@H](C)Sc2c(=O)n1C[*:1]
CC[C@H](C)Sc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 c1ccc(cc1)[*:1] CC[C@H](C)Sc1nc2C[C@H](C)Sc2c(=O)n1CC[*:1]
CCCc1nc(-c2ccc3c(c2)nnn3CC[NH+]2CCCCC2)no1 CCCc1nc(no1)[*:1] c1cc2c(cc1[*:1])nnn2CC[NH+]1CCCCC1
CCCc1nc(-c2ccc3c(c2)nnn3CC[NH+]2CCCCC2)no1 CCC[*:1] c1cc2c(cc1-c1noc(n1)[*:1])nnn2CC[NH+]1CCCCC1
C[C@H]([NH2+][C@H](C)c1ccc(F)cn1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H]([NH2+][C@H](C)c1ccc(F)cn1)c1cccc(c1)[*:1]
C[C@H]([NH2+][C@H](C)c1ccc(F)cn1)c1cccc(N2CCCC2)c1 Fc1ccc(nc1)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1cccc(c1)N1CCCC1
O=C(COc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1)Nc1ccc(Cl)cc1Cl O=C([O-])[*:1] O=C(COc1ccc(cc1)N1C[C@@H](CC1=O)[*:1])Nc1ccc(Cl)cc1Cl
O=C(COc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1)Nc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)[O-])N[*:1]
CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccc(Cl)cc4)c(C)c23)CC1 Clc1ccc(cc1)C[*:1] CCC[NH+]1CCN(CC1)c1ncnc2sc(C(=O)N[*:1])c(C)c12
CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccc(Cl)cc4)c(C)c23)CC1 Clc1ccc(cc1)[*:1] CCC[NH+]1CCN(CC1)c1ncnc2sc(C(=O)NC[*:1])c(C)c12
CCCn1ncc2ccc([C@@H]3CCCN(Cc4[nH]cc[nH+]4)C3)nc21 CCC[*:1] c1c[nH+]c(CN2CCC[C@H](C2)c2ccc3cnn(c3n2)[*:1])[nH]1
CC(C)[NH+](C)CC(=O)Nc1cc(-n2cccc2)ccc1F CC(C)[*:1] C[NH+](CC(=O)Nc1cc(ccc1F)-n1cccc1)[*:1]
CC(C)[NH+](C)CC(=O)Nc1cc(-n2cccc2)ccc1F c1ccn(c1)[*:1] CC(C)[NH+](C)CC(=O)Nc1cc(ccc1F)[*:1]
Nc1ccc(F)c(S(=O)(=O)NCCN2CCOCC2)c1 C1CN(CCO1)[*:1] Nc1ccc(F)c(c1)S(=O)(=O)NCC[*:1]
CC(C)/[NH+]=C(/Nc1ccccc1)c1cccnc1 CC(C)[*:1] c1ccc(cc1)NC(=[NH+][*:1])c1cccnc1
CC(C)/[NH+]=C(/Nc1ccccc1)c1cccnc1 c1cncc(c1)[*:1] CC(C)/[NH+]=C(/Nc1ccccc1)[*:1]
CC(C)/[NH+]=C(/Nc1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] CC(C)/[NH+]=C(/N[*:1])c1cccnc1
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Cl)nc1 CC[C@H](C)[*:1] O=C(Nc1ccc(Cl)nc1)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
CCO[C@@H]1C[C@H](NC(=O)c2c(C)nc(C3CC3)nc2SC)C12CCCC2 CCO[*:1] CSc1nc(nc(C)c1C(=O)N[C@H]1C[C@H](C12CCCC2)[*:1])C1CC1
CCO[C@@H]1C[C@H](NC(=O)c2c(C)nc(C3CC3)nc2SC)C12CCCC2 C1CC1[*:1] CCO[C@@H]1C[C@H](NC(=O)c2c(C)nc(nc2SC)[*:1])C12CCCC2
CCNC(=O)Nc1cccc(NC(=O)C(=O)NC2CCCCCC2)c1 C1CCCC(CC1)[*:1] CCNC(=O)Nc1cccc(c1)NC(=O)C(=O)N[*:1]
CCNC(=O)Nc1cccc(NC(=O)C(=O)NC2CCCCCC2)c1 CCNC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)NC1CCCCCC1
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1)C(=O)N1CCCC1 O=C1CCCN1[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1])C(=O)N1CCCC1
CCOc1ccc(NC(=S)N2CCC(O)CC2)cc1 CCO[*:1] OC1CCN(CC1)C(=S)Nc1ccc(cc1)[*:1]
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1C(=O)COCC1=O Clc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)CN1C(=O)COCC1=O)[*:1]
COc1ccc(-c2cnc(CSc3nncn3C3CC3)o2)cc1 C1CC1[*:1] COc1ccc(cc1)-c1cnc(CSc2nncn2[*:1])o1
CCC[NH2+]CCNc1ccccc1OC CCC[*:1] COc1ccccc1NCC[NH2+][*:1]
Cc1cc(C)c2c(c1)N(C(=O)c1ccc3c(c1)C(=O)N(Cc1ccco1)C3=O)CCC2 c1coc(c1)C[*:1] Cc1cc(C)c2CCCN(C(=O)c3ccc4C(=O)N(C(=O)c4c3)[*:1])c2c1
Cc1cc(C)c2c(c1)N(C(=O)c1ccc3c(c1)C(=O)N(Cc1ccco1)C3=O)CCC2 c1coc(c1)[*:1] Cc1cc(C)c2CCCN(C(=O)c3ccc4C(=O)N(C[*:1])C(=O)c4c3)c2c1
Cc1cc(C2=NN=C([N-]c3ccc(S(=O)(=O)N4CCOCC4)cc3)SC2)c(C)n1C O=S(=O)(N1CCOCC1)[*:1] Cc1cc(C2CSC(=NN=2)[N-]c2ccc(cc2)[*:1])c(C)n1C
Cc1cc(C2=NN=C([N-]c3ccc(S(=O)(=O)N4CCOCC4)cc3)SC2)c(C)n1C Cc1cc(c(C)n1C)[*:1] O=S(=O)(c1ccc(cc1)[N-]C1=NN=C(CS1)[*:1])N1CCOCC1
Cc1nc2ccccn2c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 C1CN(CCO1)CC[*:1] Cc1nc2ccccn2c1C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(F)cc1)[*:1]
Cc1nc2ccccn2c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 C1CN(CCO1)C[*:1] Cc1nc2ccccn2c1C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(F)cc1
Cc1nc2ccccn2c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc2ccccn2c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1[*:1]
Cc1nc2ccccn2c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 Cc1nc2ccccn2c1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1
Cc1nc2ccccn2c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1 C1CN(CCO1)[*:1] Cc1nc2ccccn2c1C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccc(F)cc1
CCCCCC(C)(C)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 CCC[*:1] CC(C)(CC[*:1])C(=O)N1CCCN(CC1)C(=O)Cc1cccc(F)c1
CCCCCC(C)(C)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CCCCCC(C)(C)C(=O)N1CCCN(CC1)C(=O)C[*:1]
CCCCCC(C)(C)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 CCCCC[*:1] CC(C)(C(=O)N1CCCN(CC1)C(=O)Cc1cccc(F)c1)[*:1]
CCCCCC(C)(C)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 CCCC[*:1] CC(C)(C[*:1])C(=O)N1CCCN(CC1)C(=O)Cc1cccc(F)c1
CCCCCC(C)(C)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] CCCCCC(C)(C)C(=O)N1CCCN(CC1)C(=O)[*:1]
CCCCCC(C)(C)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 CCCCCC(C)(C)[*:1] O=C(Cc1cccc(F)c1)N1CCCN(CC1)C(=O)[*:1]
NC(=O)c1cccc(C[NH2+]Cc2cccc3cn[nH]c23)c1 NC(=O)[*:1] c1cc(cc(c1)[*:1])C[NH2+]Cc1cccc2cn[nH]c12
CC(C)(CNC(=O)N[C@@H](CCO)C1CC1)c1ccncc1 OCC[*:1] CC(C)(CNC(=O)N[C@@H](C1CC1)[*:1])c1ccncc1
CC(C)(CNC(=O)N[C@@H](CCO)C1CC1)c1ccncc1 OCC[C@@H](C1CC1)[*:1] CC(C)(CNC(=O)N[*:1])c1ccncc1
CC(C)(CNC(=O)N[C@@H](CCO)C1CC1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N[C@@H](CCO)C1CC1)[*:1]
CC(C)(CNC(=O)N[C@@H](CCO)C1CC1)c1ccncc1 C1CC1[*:1] CC(C)(CNC(=O)N[C@@H](CCO)[*:1])c1ccncc1
CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1 c1csc(n1)[*:1] CS(=O)(=O)Cc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1 CS(=O)(=O)C[*:1] O=C(Nc1ccc(cc1)-c1nccs1)c1cccc(c1)[*:1]
CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)-c1nccs1)c1cccc(c1)C[*:1]
C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2[nH]nc(C)c21 C=CCO[*:1] COc1cccc(c1[*:1])[C@H]1CC(=O)Nc2[nH]nc(C)c21
C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2[nH]nc(C)c21 C=CC[*:1] COc1cccc(c1O[*:1])[C@H]1CC(=O)Nc2[nH]nc(C)c21
Cc1cc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)ccc1F C1CO[C@@H](C1)C[*:1] Cc1cc(ccc1F)C(=O)N([C@H]1CCSC1)[*:1]
Cc1cc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)ccc1F C1CO[C@@H](C1)[*:1] Cc1cc(ccc1F)C(=O)N(C[*:1])[C@H]1CCSC1
Cc1cc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)ccc1F C1C[C@@H](CS1)[*:1] Cc1cc(ccc1F)C(=O)N(C[C@@H]1CCCO1)[*:1]
O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC1(N2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] O=C(CN1CC[NH+](CC1)Cc1ccccc1)NCC1(CCCCC1)[*:1]
O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC1(N2CCOCC2)CCCCC1 c1ccc(cc1)C[*:1] O=C(CN1CC[NH+](CC1)[*:1])NCC1(CCCCC1)N1CCOCC1
O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC1(N2CCOCC2)CCCCC1 c1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])NCC1(CCCCC1)N1CCOCC1
O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccnnc1 c1ccc(cc1)[*:1] O=C(Nc1cc(nn1[*:1])-c1ccccc1)c1ccnnc1
O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccnnc1 c1cc(cnn1)[*:1] O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)[*:1]
O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccnnc1 c1ccc(cc1)[*:1] O=C(Nc1cc(nn1-c1ccccc1)[*:1])c1ccnnc1
CCC[C@H](Nc1cc(C)c(N)c(C(=O)[O-])c1)c1cccs1 CCC[*:1] Cc1cc(cc(C(=O)[O-])c1N)N[C@H](c1cccs1)[*:1]
CCC[C@H](Nc1cc(C)c(N)c(C(=O)[O-])c1)c1cccs1 O=C([O-])[*:1] CCC[C@H](Nc1cc(C)c(N)c(c1)[*:1])c1cccs1
CCC[C@H](Nc1cc(C)c(N)c(C(=O)[O-])c1)c1cccs1 c1csc(c1)[*:1] CCC[C@H](Nc1cc(C)c(N)c(c1)C(=O)[O-])[*:1]
CCc1nn(C)cc1NC(=O)CCNS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)CCNS(=O)(=O)[*:1]
CC(C)[NH+]1CCC(NCc2nc3cc(Cl)ccc3[nH]2)CC1 CC(C)[*:1] Clc1ccc2[nH]c(CNC3CC[NH+](CC3)[*:1])nc2c1
COCC(=O)Nc1ccc2nc(-c3ccc(Cl)cn3)[nH]c2c1 COCC(=O)N[*:1] Clc1ccc(nc1)-c1nc2ccc(cc2[nH]1)[*:1]
COCC(=O)Nc1ccc2nc(-c3ccc(Cl)cn3)[nH]c2c1 Clc1ccc(nc1)[*:1] COCC(=O)Nc1ccc2nc([nH]c2c1)[*:1]
COCC(=O)Nc1ccc2nc(-c3ccc(Cl)cn3)[nH]c2c1 COC[*:1] O=C(Nc1ccc2nc([nH]c2c1)-c1ccc(Cl)cn1)[*:1]
Cc1nc2ccc(NCc3nc([C@H](C)OCC(C)C)no3)cc2s1 CC(C)[*:1] Cc1nc2ccc(cc2s1)NCc1nc(no1)[C@H](C)OC[*:1]
Cc1nc2ccc(NCc3nc([C@H](C)OCC(C)C)no3)cc2s1 CC(C)C[*:1] Cc1nc2ccc(cc2s1)NCc1nc(no1)[C@H](C)O[*:1]
Cc1nc2ccc(NCc3nc([C@H](C)OCC(C)C)no3)cc2s1 CC(C)CO[*:1] Cc1nc2ccc(cc2s1)NCc1nc(no1)[C@H](C)[*:1]
C[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)NC(C)(C)C Clc1ccc(s1)[*:1] C[C@H]([NH2+][C@H](C)[*:1])C(=O)NC(C)(C)C
C[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)N[*:1]
CCN(CC)C(=O)C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)CC1 CC(C)[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)[C@H]1C[C@H]1c1ccc(cc1)[*:1]
CCN(CC)C(=O)C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)CC1 CC(C)c1ccc(cc1)[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
CCN(CC)C(=O)C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)CC1 CCN(CC)C(=O)[*:1] CC(C)c1ccc(cc1)[C@@H]1C[C@@H]1C(=O)N1CCC(CC1)[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)C#Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)C#C[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)C#Cc1ccccc1 C[S@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)C#Cc1ccccc1
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)C[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)O[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)OC[*:1]
C[C@@](O)(CSc1ccc(N)c(F)c1)C(=O)[O-] O=C([O-])[*:1] C[C@@](O)(CSc1ccc(N)c(F)c1)[*:1]
O=C(Cc1ccc(Cl)cc1)Nc1ccc2occc(=O)c2c1 Clc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc2occc(=O)c2c1
CC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)CSc1ncc(n1-c1ccccc1)[*:1]
CC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)CSc1ncc(-c2ccccc2)n1[*:1]
CC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)c1 CC(=O)c1cccc(c1)[*:1] O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)N[*:1]
CC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)c1 CC(=O)[*:1] O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1cccc(c1)[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC(=O)N1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC(=O)N1[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC(=O)N1CCc1ccccc1 Clc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@@H]1CCC(=O)N1CCc1ccccc1
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC(=O)N1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC(=O)N1CC[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC(=O)N1CCc1ccccc1 Clc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@@H]1CCC(=O)N1CCc1ccccc1
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC(=O)N1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC(=O)N1C[*:1]
CC1(C)C(NC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C1(C)C O=C([O-])[*:1] CC1(C)C(NC(=O)N[C@H]2CCCC[C@@H]2[*:1])C1(C)C
CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCCC2(C)C)[C@@]1(C)CC CCO[*:1] CC[C@@]1(C)[C@H](C[C@H]1[NH2+][C@@H]1CCCCC1(C)C)[*:1]
C[C@H]1OCC[C@H]1C(=O)NCCCNC(=O)c1cccs1 c1csc(c1)[*:1] C[C@H]1OCC[C@H]1C(=O)NCCCNC(=O)[*:1]
CCn1c(CSc2nnc(C3CCCCC3)o2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 C1CCC(CC1)[*:1] CCn1c(CSc2nnc(o2)[*:1])nc2cc(ccc21)S(=O)(=O)N1CCCCC1
CCn1c(CSc2nnc(C3CCCCC3)o2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 C1CCC(CC1)c1nnc(o1)[*:1] CCn1c(CS[*:1])nc2cc(ccc21)S(=O)(=O)N1CCCCC1
CCn1c(CSc2nnc(C3CCCCC3)o2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 O=S(=O)(N1CCCCC1)[*:1] CCn1c(CSc2nnc(o2)C2CCCCC2)nc2cc(ccc21)[*:1]
O=C(CCC1CCC1)N(c1ccccc1)c1ncccc1Br C1CC(C1)[*:1] O=C(CC[*:1])N(c1ccccc1)c1ncccc1Br
O=C(CCC1CCC1)N(c1ccccc1)c1ncccc1Br Brc1cccnc1[*:1] O=C(CCC1CCC1)N(c1ccccc1)[*:1]
O=C(CCC1CCC1)N(c1ccccc1)c1ncccc1Br C1CC(C1)CC[*:1] O=C(N(c1ccccc1)c1ncccc1Br)[*:1]
O=C(CCC1CCC1)N(c1ccccc1)c1ncccc1Br C1CC(C1)C[*:1] O=C(C[*:1])N(c1ccccc1)c1ncccc1Br
O=C(CCC1CCC1)N(c1ccccc1)c1ncccc1Br c1ccc(cc1)[*:1] O=C(CCC1CCC1)N(c1ncccc1Br)[*:1]
Fc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1 Fc1ccc(cc1)[*:1] c1ccc(cc1)C1CSc2nnc(n2N=1)[*:1]
Fc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)-c1nnc2SCC(=Nn21)[*:1]
C[C@@](CO)(NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 O=[N+]([O-])[*:1] C[C@@](CO)(NC(=O)NCc1cccc(c1)[*:1])C1CCCCC1
C[C@@](CO)(NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@](CO)(NC(=O)NCc1cccc(c1)[N+](=O)[O-])[*:1]
CC[C@H](C)NC(=O)c1cc2cc3ccc(C)cc3nc2s1 CC[C@H](C)NC(=O)[*:1] Cc1ccc2cc3cc(sc3nc2c1)[*:1]
CC[C@H](C)NC(=O)c1cc2cc3ccc(C)cc3nc2s1 CC[C@H](C)[*:1] Cc1ccc2cc3cc(sc3nc2c1)C(=O)N[*:1]
COC(=O)/C(C(C)=O)=C(\C)OC CC(=O)[*:1] COC(=O)/C(=C(\C)OC)[*:1]
COC(=O)/C(C(C)=O)=C(\C)OC COC(=O)[*:1] COC(C)=C(C(C)=O)[*:1]
Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] C[C@H](C(=O)N[*:1])N1C(=O)[C@H]2CCCC[C@H]2C1=O
CC(C)CC[C@](C)(O)CNC(=O)[C@@H](O)c1ccccc1 CC(C)C[*:1] C[C@@](O)(CNC(=O)[C@@H](O)c1ccccc1)C[*:1]
CC(C)CC[C@](C)(O)CNC(=O)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CC[C@](C)(O)CNC(=O)[C@@H](O)[*:1]
CC(C)CC[C@](C)(O)CNC(=O)[C@@H](O)c1ccccc1 CC(C)CC[*:1] C[C@](O)(CNC(=O)[C@@H](O)c1ccccc1)[*:1]
CC(C)CC[C@](C)(O)CNC(=O)[C@@H](O)c1ccccc1 CC(C)[*:1] C[C@](O)(CC[*:1])CNC(=O)[C@@H](O)c1ccccc1
Cc1ccc2c(C(=O)N(C)Cc3nncn3C)cc(-c3cnn(C(C)C)c3)nc2c1 Cn1cnnc1C[*:1] Cc1ccc2c(cc(nc2c1)-c1cnn(c1)C(C)C)C(=O)N(C)[*:1]
Cc1ccc2c(C(=O)N(C)Cc3nncn3C)cc(-c3cnn(C(C)C)c3)nc2c1 CC(C)[*:1] Cc1ccc2c(cc(nc2c1)-c1cnn(c1)[*:1])C(=O)N(C)Cc1nncn1C
Cc1ccc2c(C(=O)N(C)Cc3nncn3C)cc(-c3cnn(C(C)C)c3)nc2c1 CC(C)n1cc(cn1)[*:1] Cc1ccc2c(cc(nc2c1)[*:1])C(=O)N(C)Cc1nncn1C
Cc1ccc2c(C(=O)N(C)Cc3nncn3C)cc(-c3cnn(C(C)C)c3)nc2c1 Cn1cnnc1[*:1] Cc1ccc2c(cc(nc2c1)-c1cnn(c1)C(C)C)C(=O)N(C)C[*:1]
COCc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 COCc1ccccc1[*:1] O=C1C[C@H](CN1c1ccc(cc1)Oc1ccccc1)NC(=O)[*:1]
COCc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 c1ccc(cc1)O[*:1] COCc1ccccc1C(=O)N[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
COCc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 COC[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1ccc(cc1)Oc1ccccc1)c1ccccc1[*:1]
COCc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] COCc1ccccc1C(=O)N[C@@H]1CC(=O)N(C1)c1ccc(cc1)O[*:1]
CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(S(C)(=O)=O)cc1)C2=O CS(=O)(=O)[*:1] CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(cc1)[*:1])C2=O
CO[C@]1(C)C[C@H](NC(=O)NCC2(C(=O)N(C)C)CCCC2)C1(C)C CN(C)C(=O)[*:1] CO[C@]1(C)C[C@H](NC(=O)NCC2(CCCC2)[*:1])C1(C)C
CCOCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C CCOC[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C CCOCC[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)N(C)[*:1]
CCOCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C CCO[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)N(C)CC[*:1]
COc1cccc(OCC[C@H](C)CCS)c1 SCC[*:1] COc1cccc(c1)OCC[C@H](C)[*:1]
O=C1C[C@H](C2CCCCC2)[C@H](c2cccc(Cl)c2)C(=O)N1 C1CCC(CC1)[*:1] O=C1C[C@H]([C@@H](C(=O)N1)c1cccc(Cl)c1)[*:1]
O=C1C[C@H](C2CCCCC2)[C@H](c2cccc(Cl)c2)C(=O)N1 Clc1cccc(c1)[*:1] O=C1C[C@H](C2CCCCC2)[C@H](C(=O)N1)[*:1]
COc1ccc(C(=O)Nc2nc(-c3ccc(C)c(Cl)c3)c(C)s2)cc1 Cc1ccc(cc1Cl)[*:1] COc1ccc(cc1)C(=O)Nc1nc(c(C)s1)[*:1]
COc1ccc(C(=O)Nc2nc(-c3ccc(C)c(Cl)c3)c(C)s2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)-c1nc(NC(=O)[*:1])sc1C
C[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)Oc1cccc(F)c1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@H](CNC(=O)N[*:1])Oc1cccc(F)c1
C[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)O[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1[C@@H]1CCS(=O)(=O)C1 Oc1cccc(c1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)[C@H](C(=O)NC(C)(C)C)n1cnc2c1c(=O)n(C)c(=O)n2C CC(C)[*:1] Cn1c(=O)c2c(ncn2[C@@H](C(=O)NC(C)(C)C)[*:1])n(C)c1=O
CC(C)[C@H](C(=O)NC(C)(C)C)n1cnc2c1c(=O)n(C)c(=O)n2C CC(C)(C)NC(=O)[*:1] CC(C)[C@H](n1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
CC(C)[C@H](C(=O)NC(C)(C)C)n1cnc2c1c(=O)n(C)c(=O)n2C CC(C)(C)[*:1] CC(C)[C@H](C(=O)N[*:1])n1cnc2c1c(=O)n(C)c(=O)n2C
COC(=O)c1ccc(NC(=O)N(C)CC(C)(C)O)cc1C COC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N(C)CC(C)(C)O
COC(=O)c1ccc(NC(=O)N(C)CC(C)(C)O)cc1C CC(C)(O)C[*:1] COC(=O)c1ccc(cc1C)NC(=O)N(C)[*:1]
COC(=O)c1ccc(NC(=O)N(C)CC(C)(C)O)cc1C CC(C)(O)[*:1] COC(=O)c1ccc(cc1C)NC(=O)N(C)C[*:1]
CCC[C@H](C)C[C@H]([NH2+]CC)[C@@H]1CSCCS1 CCC[C@H](C)[*:1] CC[NH2+][C@@H](C[*:1])[C@@H]1CSCCS1
CCC[C@H](C)C[C@H]([NH2+]CC)[C@@H]1CSCCS1 CCC[*:1] CC[NH2+][C@@H](C[C@@H](C)[*:1])[C@@H]1CSCCS1
Cc1cc(C)cc(C(=O)O[C@@H](C)Cn2cccn2)c1 c1cnn(c1)C[*:1] Cc1cc(C)cc(c1)C(=O)O[C@@H](C)[*:1]
Cc1cc(C)cc(C(=O)O[C@@H](C)Cn2cccn2)c1 c1cnn(c1)[*:1] Cc1cc(C)cc(c1)C(=O)O[C@@H](C)C[*:1]
Cn1nccc1CNc1nc(NCc2ccnn2C)c2ccccc2[nH+]1 Cn1nccc1C[*:1] Cn1nccc1CNc1nc(N[*:1])c2ccccc2[nH+]1
Cn1nccc1CNc1nc(NCc2ccnn2C)c2ccccc2[nH+]1 Cn1nccc1[*:1] Cn1nccc1CNc1nc(NC[*:1])c2ccccc2[nH+]1
Cn1nccc1CNc1nc(NCc2ccnn2C)c2ccccc2[nH+]1 Cn1nccc1C[*:1] Cn1nccc1CNc1nc(N[*:1])[nH+]c2ccccc12
Cn1nccc1CNc1nc(NCc2ccnn2C)c2ccccc2[nH+]1 Cn1nccc1CN[*:1] Cn1nccc1CNc1nc(c2ccccc2[nH+]1)[*:1]
Cn1nccc1CNc1nc(NCc2ccnn2C)c2ccccc2[nH+]1 Cn1nccc1[*:1] Cn1nccc1CNc1nc(NC[*:1])[nH+]c2ccccc12
Cn1nccc1CNc1nc(NCc2ccnn2C)c2ccccc2[nH+]1 Cn1nccc1CN[*:1] Cn1nccc1CNc1nc([nH+]c2ccccc12)[*:1]
CC1(C)C[C@@](C#N)(NC2CCCC2)C(C)(C)O1 C1CCC(C1)[*:1] CC1(C)C[C@@](C#N)(N[*:1])C(C)(C)O1
Cc1n[nH]c(SCC(=O)N[C@@H](c2cc(F)ccc2F)C2CC2)n1 C1CC1[*:1] Cc1n[nH]c(n1)SCC(=O)N[C@@H](c1cc(F)ccc1F)[*:1]
Cc1n[nH]c(SCC(=O)N[C@@H](c2cc(F)ccc2F)C2CC2)n1 Cc1n[nH]c(n1)S[*:1] O=C(C[*:1])N[C@@H](c1cc(F)ccc1F)C1CC1
Cc1n[nH]c(SCC(=O)N[C@@H](c2cc(F)ccc2F)C2CC2)n1 Cc1n[nH]c(n1)[*:1] O=C(CS[*:1])N[C@@H](c1cc(F)ccc1F)C1CC1
C[C@@H]1C[C@@H]1C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccnn1Cc1ccc(cc1)[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccnn1Cc1ccc(cc1)O[*:1]
O=C(Nc1cnn(-c2ncccn2)c1)N1CCCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1cnn(c1)-c1ncccn1)N1CCCC[C@@H]1[*:1]
O=C(Nc1cnn(-c2ncccn2)c1)N1CCCC[C@H]1Cc1ccccc1 c1cnc(nc1)[*:1] O=C(Nc1cnn(c1)[*:1])N1CCCC[C@H]1Cc1ccccc1
O=C(Nc1cnn(-c2ncccn2)c1)N1CCCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)-c1ncccn1)N1CCCC[C@H]1C[*:1]
CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)C(C)C)cc2)CC1 CC(C)[C@@H](C)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1)C(=O)N[*:1]
CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)C(C)C)cc2)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1)C(=O)N[C@H](C)[*:1]
CC[C@H](C)N(C(=O)c1ccc(F)cc1)[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)N(C(=O)c1ccc(F)cc1)[*:1]
Cc1cc(CO)ccc1SC1COC1 C1OCC1[*:1] Cc1cc(ccc1S[*:1])CO
O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2ccncc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1NN=C(c1ccccc1)c1ccncc1)[*:1]
O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2ccncc2)c([N+](=O)[O-])c1 c1cc(ccn1)[*:1] O=[N+]([O-])c1ccc(NN=C(c2ccccc2)[*:1])c(c1)[N+](=O)[O-]
O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2ccncc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(NN=C(c2ccncc2)[*:1])c(c1)[N+](=O)[O-]
O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2ccncc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2ccncc2)c(c1)[*:1]
C=CCN(CC(=O)[O-])C(=O)c1cc(=O)[nH]c([O-])n1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)c1cc(=O)[nH]c([O-])n1
C=CCN(CC(=O)[O-])C(=O)c1cc(=O)[nH]c([O-])n1 O=C([O-])C[*:1] C=CCN(C(=O)c1cc(=O)[nH]c([O-])n1)[*:1]
C=CCN(CC(=O)[O-])C(=O)c1cc(=O)[nH]c([O-])n1 C=CC[*:1] O=C([O-])CN(C(=O)c1cc(=O)[nH]c([O-])n1)[*:1]
CC(C)[NH2+]Cc1ccc(OCC(N)=O)cc1 NC(=O)CO[*:1] CC(C)[NH2+]Cc1ccc(cc1)[*:1]
CC(C)[NH2+]Cc1ccc(OCC(N)=O)cc1 NC(=O)C[*:1] CC(C)[NH2+]Cc1ccc(cc1)O[*:1]
CC(C)[NH2+]Cc1ccc(OCC(N)=O)cc1 NC(=O)[*:1] CC(C)[NH2+]Cc1ccc(cc1)OC[*:1]
CC(C)[NH2+]Cc1ccc(OCC(N)=O)cc1 CC(C)[*:1] NC(=O)COc1ccc(cc1)C[NH2+][*:1]
N#CC(C#N)=Cc1csc(-c2ccc(F)cc2)n1 N#CC(C#N)=C[*:1] Fc1ccc(cc1)-c1nc(cs1)[*:1]
Cc1cc(SCC(=O)Nc2ccccc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 c1ccc(cc1)[*:1] Cc1cc(nc2ccc(cc12)S(=O)(=O)N1CCOCC1)SCC(=O)N[*:1]
Cc1cc(SCC(=O)Nc2ccccc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 O=C(Nc1ccccc1)[*:1] Cc1cc(nc2ccc(cc12)S(=O)(=O)N1CCOCC1)SC[*:1]
Cc1cc(SCC(=O)Nc2ccccc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 O=S(=O)(N1CCOCC1)[*:1] Cc1cc(nc2ccc(cc12)[*:1])SCC(=O)Nc1ccccc1
Cc1cc(SCC(=O)Nc2ccccc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 O=C(C[*:1])Nc1ccccc1 Cc1cc(nc2ccc(cc12)S(=O)(=O)N1CCOCC1)S[*:1]
CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 CC[C@H](C)[*:1] C[C@@H](Oc1ccccc1[*:1])C(=O)Nc1ccc(cc1)C(=O)N1CCCC1
CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
COCCC(=O)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)[*:1] COCCC(=O)N1CCCC[C@H]1CC[*:1]
COCCC(=O)N1CCCC[C@H]1CCc1ccccc1 COC[*:1] O=C(C[*:1])N1CCCC[C@H]1CCc1ccccc1
COCCC(=O)N1CCCC[C@H]1CCc1ccccc1 COCC[*:1] O=C(N1CCCC[C@H]1CCc1ccccc1)[*:1]
O=C(NC[C@@H]1CCCO1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NC[C@@H]1CCCO1)N[C@@H](c1ccc(F)cc1)[*:1]
O=C(NC[C@@H]1CCCO1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)N[C@@H]([C@H]1CCCO1)[*:1]
O=C(NC[C@@H]1CCCO1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1
O=C(NC[C@@H]1CCCO1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)N[*:1]
COc1ccccc1N[C@@H](C)C(=O)NCC(C)C CC(C)C[*:1] COc1ccccc1N[C@@H](C)C(=O)N[*:1]
COc1ccccc1N[C@@H](C)C(=O)NCC(C)C CC(C)[*:1] COc1ccccc1N[C@@H](C)C(=O)NC[*:1]
CCc1n[nH]c(C(=O)N[C@@]2(C(=O)[O-])CCCC[C@H]2C)n1 O=C([O-])[*:1] CCc1n[nH]c(n1)C(=O)N[C@]1(CCCC[C@H]1C)[*:1]
Cc1ncsc1CN1CCCN(c2cccnn2)CC1 Cc1ncsc1[*:1] c1cnnc(c1)N1CCCN(CC1)C[*:1]
Cc1ncsc1CN1CCCN(c2cccnn2)CC1 c1cnnc(c1)[*:1] Cc1ncsc1CN1CCCN(CC1)[*:1]
CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1CC(C)(C)OC1(C)C CC(C)(C)[*:1] CC1(C)C[C@@H]([NH2+][C@H](CO)C[*:1])C(C)(C)O1
CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1CC(C)(C)OC1(C)C CC(C)(C)C[*:1] CC1(C)C[C@@H]([NH2+][C@H](CO)[*:1])C(C)(C)O1
CCn1cc([N+](=O)[O-])c(=O)n(CCC(C)(C)O)c1=O CC(C)(O)CC[*:1] CCn1cc(c(=O)n(c1=O)[*:1])[N+](=O)[O-]
CCn1cc([N+](=O)[O-])c(=O)n(CCC(C)(C)O)c1=O O=[N+]([O-])[*:1] CCn1cc(c(=O)n(CCC(C)(C)O)c1=O)[*:1]
CCn1cc([N+](=O)[O-])c(=O)n(CCC(C)(C)O)c1=O CC(C)(O)[*:1] CCn1cc(c(=O)n(CC[*:1])c1=O)[N+](=O)[O-]
CCn1cc([N+](=O)[O-])c(=O)n(CCC(C)(C)O)c1=O CC(C)(O)C[*:1] CCn1cc(c(=O)n(C[*:1])c1=O)[N+](=O)[O-]
C[C@H](CS(=O)(=O)c1ccc2ccccc2c1)N1CCN(c2ccco2)CC1 c1coc(c1)[*:1] C[C@H](CS(=O)(=O)c1ccc2ccccc2c1)N1CCN(CC1)[*:1]
Cc1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1 c1nc(cs1)[*:1] Cc1ccc(cc1)Cn1c(nc2ccccc21)[*:1]
Cc1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1 Cc1ccc(cc1)[*:1] c1ccc2c(c1)nc(-c1cscn1)n2C[*:1]
O=C(NCc1nc(-c2ccccc2)cs1)NNc1ccccn1 c1ccc(nc1)[*:1] O=C(NCc1nc(cs1)-c1ccccc1)NN[*:1]
O=C(NCc1nc(-c2ccccc2)cs1)NNc1ccccn1 c1ccc(cc1)[*:1] O=C(NCc1nc(cs1)[*:1])NNc1ccccn1
O=C(NCCC1=CCCCC1)c1ccc(CN2C(=O)CCn3nc(-c4ccc(Cl)cc4)cc32)cc1 Clc1ccc(cc1)[*:1] O=C(NCCC1=CCCCC1)c1ccc(cc1)CN1C(=O)CCn2nc(cc21)[*:1]
Cc1csc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3C)CC2)n1 Cc1ccccc1[*:1] Cc1csc(n1)C1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
Cc1csc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3C)CC2)n1 Cc1csc(n1)[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(CC1)[*:1]
CC(C)N1CCC[C@]2(CCN(C(=O)c3cn(-c4ccccc4)nn3)C2)C1=O CC(C)[*:1] O=C(c1cn(nn1)-c1ccccc1)N1CC[C@]2(CCCN(C2=O)[*:1])C1
CC(C)N1CCC[C@]2(CCN(C(=O)c3cn(-c4ccccc4)nn3)C2)C1=O c1ccc(cc1)[*:1] CC(C)N1CCC[C@]2(CCN(C2)C(=O)c2cn(nn2)[*:1])C1=O
CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])c1ccc(Cl)c(c1)[*:1] CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1[*:1]
CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1cc(ccc1Cl)[*:1]
CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1cc([N+](=O)[O-])ccc1Cl c1ccc(cc1)[*:1] CCOC(=O)C1=C(N)Oc2c(c(C)nn2[*:1])[C@H]1c1cc(ccc1Cl)[N+](=O)[O-]
CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1cc([N+](=O)[O-])ccc1Cl CCOC(=O)[*:1] Cc1nn(-c2ccccc2)c2OC(N)=C([C@H](c3cc(ccc3Cl)[N+](=O)[O-])c12)[*:1]
C[C@H](Cc1ccc(Br)cc1)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H](Cc1ccc(Br)cc1)NC(=O)[*:1]
C#CCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cc(Cl)ccc21 C#CC[*:1] O=C(/N=c1\sc2cc(Cl)ccc2n1[*:1])[C@H]1COc2ccccc2O1
COc1ccc(Br)c(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 c1ccc(cc1)[*:1] COc1ccc(Br)c(c1)C(=O)N[C@@H](c1ccccn1)[*:1]
COc1ccc(Br)c(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 c1ccc(nc1)[*:1] COc1ccc(Br)c(c1)C(=O)N[C@@H](c1ccccc1)[*:1]
NS(=O)(=O)c1cnccc1NN1CCCCC1 NS(=O)(=O)[*:1] c1cc(NN2CCCCC2)c(cn1)[*:1]
COc1ccc2oc(C(=O)N3CCOC[C@H]3C3CC3)c(C)c2c1 C1CC1[*:1] COc1ccc2oc(C(=O)N3CCOC[C@@H]3[*:1])c(C)c2c1
CC[C@H](C)[C@H](C[NH2+]C1CC1)c1c(Cl)cccc1Cl C1CC1[*:1] CC[C@H](C)[C@H](C[NH2+][*:1])c1c(Cl)cccc1Cl
CC[C@H](C)[C@H](C[NH2+]C1CC1)c1c(Cl)cccc1Cl CC[C@H](C)[*:1] Clc1cccc(Cl)c1[C@@H](C[NH2+]C1CC1)[*:1]
Cc1cc(C(=O)N2CCN(Cc3cnc(CC(C)C)s3)CC2)on1 CC(C)[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)Cc1cnc(C[*:1])s1
Cc1cc(C(=O)N2CCN(Cc3cnc(CC(C)C)s3)CC2)on1 CC(C)C[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)Cc1cnc(s1)[*:1]
Cc1cc(C(=O)N2CCN(Cc3cnc(CC(C)C)s3)CC2)on1 Cc1cc(on1)[*:1] CC(C)Cc1ncc(CN2CCN(CC2)C(=O)[*:1])s1
Cc1ccc(NCc2ccc(-n3cncn3)cc2)cc1C c1ncn(n1)[*:1] Cc1ccc(cc1C)NCc1ccc(cc1)[*:1]
CCOCCCNc1cc(C)ccc1N CCOC[*:1] Cc1ccc(N)c(c1)NCC[*:1]
CCOCCCNc1cc(C)ccc1N CCOCC[*:1] Cc1ccc(N)c(c1)NC[*:1]
CCOCCCNc1cc(C)ccc1N CCO[*:1] Cc1ccc(N)c(c1)NCCC[*:1]
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H](CO)[*:1]
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H](CO)c1ccco1 N#Cc1ccccc1[*:1] O=C(N[C@@H](CO)c1ccco1)c1ccccc1S[*:1]
COC(=O)c1ccsc1NC(=O)C(c1ccccc1)c1ccccc1 COC(=O)[*:1] O=C(Nc1sccc1[*:1])C(c1ccccc1)c1ccccc1
COC(=O)c1ccsc1NC(=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1ccsc1NC(=O)C(c1ccccc1)[*:1]
O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Cc1occc1C(=O)NCC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] Cc1occc1C(=O)NCC(=O)NCC(C)(C)[*:1]
Cc1occc1C(=O)NCC(=O)NCC(C)(C)c1ccncc1 Cc1occc1[*:1] CC(C)(CNC(=O)CNC(=O)[*:1])c1ccncc1
COCCn1c(S[C@@H](C)C(=O)N(C)C)nnc1-c1cccc(C)c1 COCC[*:1] Cc1cccc(c1)-c1nnc(S[C@@H](C)C(=O)N(C)C)n1[*:1]
COCCn1c(S[C@@H](C)C(=O)N(C)C)nnc1-c1cccc(C)c1 Cc1cccc(c1)[*:1] COCCn1c(nnc1[*:1])S[C@@H](C)C(=O)N(C)C
COCCn1c(S[C@@H](C)C(=O)N(C)C)nnc1-c1cccc(C)c1 C[C@@H](C(=O)N(C)C)[*:1] COCCn1c(nnc1-c1cccc(C)c1)S[*:1]
COCCn1c(S[C@@H](C)C(=O)N(C)C)nnc1-c1cccc(C)c1 COC[*:1] Cc1cccc(c1)-c1nnc(S[C@@H](C)C(=O)N(C)C)n1C[*:1]
COCCn1c(S[C@@H](C)C(=O)N(C)C)nnc1-c1cccc(C)c1 CN(C)C(=O)[*:1] COCCn1c(nnc1-c1cccc(C)c1)S[C@@H](C)[*:1]
COCCn1c(S[C@@H](C)C(=O)N(C)C)nnc1-c1cccc(C)c1 C[C@H](S[*:1])C(=O)N(C)C COCCn1c(nnc1[*:1])-c1cccc(C)c1
C[C@@H]1CCC[C@H](S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)C1 C1CC1[*:1] C[C@@H]1CCC[C@@H](C1)S[C@@H]1CCC[C@](C1)([NH2+][*:1])C(=O)[O-]
C[C@@H]1CCC[C@H](S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)C1 C[C@@H]1CCC[C@H](C1)[*:1] O=C([O-])[C@]1(CCC[C@H](C1)S[*:1])[NH2+]C1CC1
C[C@@H]1CCC[C@H](S[C@@H]2CCC[C@]([NH2+]C3CC3)(C(=O)[O-])C2)C1 O=C([O-])[*:1] C[C@@H]1CCC[C@@H](C1)S[C@@H]1CCC[C@@](C1)([NH2+]C1CC1)[*:1]
CC[C@@](C)(NC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)[C@@H](C)NC(=O)c1ccco1)[*:1]
CC[C@@](C)(NC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)[O-] c1coc(c1)[*:1] CC[C@@](C)(NC(=O)[C@@H](C)NC(=O)[*:1])C(=O)[O-]
CO[C@@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccccc1 FC(F)(F)[*:1] CO[C@@H](CNC(=O)N1CC[C@@](O)(C1)[*:1])c1ccccc1
CO[C@@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](CNC(=O)N1CC[C@](O)(C1)C(F)(F)F)[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCNC(=O)C1CC1 CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)NCCNC(=O)C1CC1
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCNC(=O)C1CC1 O=C(NC[*:1])C1CC1 Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCNC(=O)C1CC1 C1CC1[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCNC(=O)[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCNC(=O)C1CC1 O=C(N[*:1])C1CC1 Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCNC(=O)C1CC1 O=C(NCC[*:1])C1CC1 Cc1nc2c(cnn2C(C)C)cc1C(=O)N[*:1]
Nc1nnc(SCc2cc(=O)n3c(n2)sc2ccccc23)s1 Nc1nnc(s1)[*:1] O=c1cc(CS[*:1])nc2sc3ccccc3n12
Nc1nnc(SCc2cc(=O)n3c(n2)sc2ccccc23)s1 Nc1nnc(S[*:1])s1 O=c1cc(C[*:1])nc2sc3ccccc3n12
CCC(C)(C)C1CCC(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 CCC(C)(C)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)NC1CCC(CC1)[*:1]
N#Cc1cccc(COc2cccc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)c2)c1 N#Cc1cccc(c1)CO[*:1] O=C(Nc1cccc(c1)[*:1])C1C[C@@H](ON=1)c1ccccc1
N#Cc1cccc(COc2cccc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)c2)c1 N#Cc1cccc(c1)C[*:1] O=C(Nc1cccc(c1)O[*:1])C1C[C@@H](ON=1)c1ccccc1
N#Cc1cccc(COc2cccc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)c2)c1 N#Cc1cccc(c1)[*:1] O=C(Nc1cccc(c1)OC[*:1])C1C[C@@H](ON=1)c1ccccc1
N#Cc1cccc(COc2cccc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)c2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)COc1cccc(c1)NC(=O)C1C[C@H](ON=1)[*:1]
CCc1nn(C)cc1NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 CCc1nn(C)cc1[*:1] C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[*:1])C1
CC1(C)CN(CCC(=O)N2CCN(c3ncccn3)CC2)CC[S@@]1=O c1cnc(nc1)[*:1] CC1(C)CN(CCC(=O)N2CCN(CC2)[*:1])CC[S@@]1=O
O=C(N/N=C\c1ccc(Sc2ccccc2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C\c1ccc(o1)Sc1ccccc1)[*:1]
O=C(N/N=C\c1ccc(Sc2ccccc2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C\c1ccc(o1)S[*:1])c1ccccc1
O=C(N/N=C\c1ccc(Sc2ccccc2)o1)c1ccccc1 c1ccc(cc1)S[*:1] O=C(N/N=C\c1ccc(o1)[*:1])c1ccccc1
CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@@H]2[*:1])cc1
CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 CCO[*:1] CC1NC(=O)N[C@H](C=1C(=O)N/N=C/c1ccc(cc1)[*:1])c1cccc(c1)[N+](=O)[O-]
CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 CCOc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)NN=C[*:1])c1cccc(c1)[N+](=O)[O-]
CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(/C=N/NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(c2)[*:1])cc1
O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1nccs1 c1ccc(cc1)[*:1] O=C1[C@@H]2[C@@H](C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1nccs1)[*:1]
O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1nccs1 c1csc(n1)[*:1] O=C1[C@@H]2[C@H](C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1[*:1])c1ccccc1
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])NC(=O)C(=O)N[C@H](C)[C@@H]1CCCO1
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])NC(=O)C(=O)N[C@H](C)[C@@H]1CCCO1
Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)ccc1OC(C)C C1CO[C@@H](C1)[*:1] Cc1cc(ccc1OC(C)C)NC(=O)C(=O)N[C@H](C)[*:1]
C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC1(CS(C)(=O)=O)CC1 CS(=O)(=O)C[*:1] C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC1(CC1)[*:1]
C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC1(CS(C)(=O)=O)CC1 CS(=O)(=O)[*:1] C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC1(CC1)C[*:1]
CCn1c(N/N=C/c2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C Fc1ccc(cc1)[*:1] CCn1c(nc2c1c(=O)[nH]c(=O)n2C)NN=C[*:1]
C[C@H](NCC(C)(C)c1cccc(F)c1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H](NCC(C)(C)c1cccc(F)c1)[*:1]
C[C@H](NCC(C)(C)c1cccc(F)c1)c1ccc(F)cn1 Fc1cccc(c1)[*:1] C[C@H](NCC(C)(C)[*:1])c1ccc(F)cn1
CC/[NH+]=C(/NC[C@@H](O)c1ccc(F)cc1)N1C[C@H]2CC=CC[C@H]2C1 Fc1ccc(cc1)[*:1] CC/[NH+]=C(/NC[C@@H](O)[*:1])N1C[C@H]2CC=CC[C@H]2C1
CCc1ccccc1NC(=O)CNC(=O)[C@H](NC(N)=O)C(C)C CC(C)[*:1] CCc1ccccc1NC(=O)CNC(=O)[C@H](NC(N)=O)[*:1]
CCc1ccccc1NC(=O)CNC(=O)[C@H](NC(N)=O)C(C)C NC(=O)N[*:1] CCc1ccccc1NC(=O)CNC(=O)[C@H](C(C)C)[*:1]
CC(C)Cn1cnnc1[C@H]1CCCN1Cc1ccc(F)cc1OC(F)(F)F CC(C)Cn1cnnc1[*:1] Fc1ccc(CN2CCC[C@@H]2[*:1])c(c1)OC(F)(F)F
CC(C)Cn1cnnc1[C@H]1CCCN1Cc1ccc(F)cc1OC(F)(F)F CC(C)C[*:1] Fc1ccc(CN2CCC[C@@H]2c2nncn2[*:1])c(c1)OC(F)(F)F
CC(C)Cn1cnnc1[C@H]1CCCN1Cc1ccc(F)cc1OC(F)(F)F FC(F)(F)[*:1] CC(C)Cn1cnnc1[C@H]1CCCN1Cc1ccc(F)cc1O[*:1]
CC(C)Cn1cnnc1[C@H]1CCCN1Cc1ccc(F)cc1OC(F)(F)F FC(F)(F)O[*:1] CC(C)Cn1cnnc1[C@H]1CCCN1Cc1ccc(F)cc1[*:1]
CC(C)Cn1cnnc1[C@H]1CCCN1Cc1ccc(F)cc1OC(F)(F)F CC(C)[*:1] Fc1ccc(CN2CCC[C@@H]2c2nncn2C[*:1])c(c1)OC(F)(F)F
CCc1ccc([C@H](NC(=O)[C@@H]2CN(CC)CCO2)C(C)(C)C)o1 CC(C)(C)[*:1] CCc1ccc(o1)[C@H](NC(=O)[C@@H]1CN(CC)CCO1)[*:1]
CCc1ccc([C@H](NC(=O)[C@@H]2CN(CC)CCO2)C(C)(C)C)o1 CCc1ccc(o1)[*:1] CCN1CCO[C@@H](C1)C(=O)N[C@H](C(C)(C)C)[*:1]
CC1(C)CCC[C@H]([NH2+]C2COC2)C1 C1OCC1[*:1] CC1(C)CCC[C@@H](C1)[NH2+][*:1]
COc1ccccc1-c1noc([C@H](C)NC(=O)c2cn(C)nc2C(C)(C)C)n1 COc1ccccc1[*:1] C[C@H](NC(=O)c1cn(C)nc1C(C)(C)C)c1nc(no1)[*:1]
COc1ccccc1-c1noc([C@H](C)NC(=O)c2cn(C)nc2C(C)(C)C)n1 CC(C)(C)[*:1] COc1ccccc1-c1noc(n1)[C@H](C)NC(=O)c1cn(C)nc1[*:1]
CCOC[C@H]1CCN(C(=O)c2cccnc2Nc2ccccc2F)C1 Fc1ccccc1N[*:1] CCOC[C@H]1CCN(C1)C(=O)c1cccnc1[*:1]
CCOC[C@H]1CCN(C(=O)c2cccnc2Nc2ccccc2F)C1 Fc1ccccc1[*:1] CCOC[C@H]1CCN(C1)C(=O)c1cccnc1N[*:1]
CCOC[C@H]1CCN(C(=O)c2cccnc2Nc2ccccc2F)C1 CCOC[*:1] O=C(c1cccnc1Nc1ccccc1F)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)c2cccnc2Nc2ccccc2F)C1 CCO[*:1] O=C(c1cccnc1Nc1ccccc1F)N1CC[C@@H](C1)C[*:1]
CCC[NH2+][C@@H]1CCC[C@H]1CCSc1ncc(C)cn1 CCC[*:1] Cc1cnc(nc1)SCC[C@@H]1CCC[C@H]1[NH2+][*:1]
Cc1cc(-c2nn3c(-c4cc(Cl)cc(Cl)c4)nnc3s2)on1 Cc1cc(on1)[*:1] Clc1cc(Cl)cc(c1)-c1nnc2sc(nn12)[*:1]
CC[C@@](C)([NH3+])COc1nc2cc([N+](=O)[O-])ccc2[nH]1 O=[N+]([O-])[*:1] CC[C@@](C)([NH3+])COc1nc2cc(ccc2[nH]1)[*:1]
CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(Cl)o2)=NO1 Clc1ccc(o1)[*:1] CC(C)C(=O)N(Cc1cccc(c1)C(F)(F)F)C[C@H]1CC(=NO1)[*:1]
CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(Cl)o2)=NO1 FC(F)(F)[*:1] CC(C)C(=O)N(Cc1cccc(c1)[*:1])C[C@H]1CC(=NO1)c1ccc(Cl)o1
CC(C)C(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(Cl)o2)=NO1 CC(C)[*:1] O=C(N(Cc1cccc(c1)C(F)(F)F)C[C@H]1CC(=NO1)c1ccc(Cl)o1)[*:1]
CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 O=C(N[*:1])c1ccccc1 CC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1
COc1c(Cl)cccc1N[C@@H]1CCN(c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] COc1c(Cl)cccc1N[C@@H]1CCN(C1=O)[*:1]
COC(=O)c1ccc(CNc2cc(C(=O)NC3CC3)ccc2C)cc1 C1CC1[*:1] COC(=O)c1ccc(cc1)CNc1cc(ccc1C)C(=O)N[*:1]
COC(=O)c1ccc(CNc2cc(C(=O)NC3CC3)ccc2C)cc1 COC(=O)[*:1] Cc1ccc(cc1NCc1ccc(cc1)[*:1])C(=O)NC1CC1
COC(=O)c1ccc(CNc2cc(C(=O)NC3CC3)ccc2C)cc1 O=C(NC1CC1)[*:1] COC(=O)c1ccc(cc1)CNc1cc(ccc1C)[*:1]
O=C(NC[C@@H]1CCCO1)N[C@H]1CCSc2c(F)cccc21 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])N[C@H]1CCSc2c(F)cccc21
O=C(NC[C@@H]1CCCO1)N[C@H]1CCSc2c(F)cccc21 C1CO[C@@H](C1)C[*:1] O=C(N[C@H]1CCSc2c(F)cccc21)N[*:1]
O=S(=O)(/N=C(\[O-])c1ccc(Cl)c(Cl)c1)C1CCCC1 C1CCC(C1)[*:1] O=S(=O)(/N=C(\[O-])c1ccc(Cl)c(Cl)c1)[*:1]
C#CC[C@@H](Cc1cccc(C)c1)C(=O)[O-] O=C([O-])[*:1] C#CC[C@@H](Cc1cccc(C)c1)[*:1]
C#CC[C@@H](Cc1cccc(C)c1)C(=O)[O-] C#CC[*:1] Cc1cccc(c1)C[C@@H](C(=O)[O-])[*:1]
Cc1cc(F)c([C@H](O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1F O=C([O-])[*:1] Cc1cc(F)c(cc1F)[C@H](O)[C@H]1CCCC[C@H]1[*:1]
COc1cc([C@H](C)NC(=O)c2cccc[n+]2[O-])ccc1OC(C)C [O-][n+]1ccccc1[*:1] COc1cc(ccc1OC(C)C)[C@H](C)NC(=O)[*:1]
COc1cc([C@H](C)NC(=O)c2cccc[n+]2[O-])ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[C@H](C)NC(=O)c1cccc[n+]1[O-]
COc1cc([C@H](C)NC(=O)c2cccc[n+]2[O-])ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[C@H](C)NC(=O)c1cccc[n+]1[O-]
Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)no1 Cc1cc(no1)NC(=O)[*:1] O=C(c1ccc(cc1)OC(F)F)N1CCN(CC1)C[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)no1 Cc1cc(no1)[*:1] O=C(CN1CCN(CC1)C(=O)c1ccc(cc1)OC(F)F)N[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)no1 FC(F)[*:1] Cc1cc(no1)NC(=O)CN1CCN(CC1)C(=O)c1ccc(cc1)O[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)no1 FC(F)O[*:1] Cc1cc(no1)NC(=O)CN1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl C1C[C@H](CO1)[*:1] CCN(C[*:1])C(=O)N[C@H](C)c1ccc(Cl)cc1Cl
CCN(C[C@@H]1CCOC1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl C1C[C@H](CO1)C[*:1] CCN(C(=O)N[C@H](C)c1ccc(Cl)cc1Cl)[*:1]
CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C)c2Cl)cc1 Cc1cccc(c1Cl)[*:1] CNS(=O)(=O)c1ccc(cc1)CCC(=O)N[*:1]
CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C)c2Cl)cc1 CNS(=O)(=O)[*:1] Cc1cccc(NC(=O)CCc2ccc(cc2)[*:1])c1Cl
Cc1cc(CC(C)C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 CC(C)[*:1] Cc1cc(C[*:1])nc(n1)NS(=O)(=O)c1ccc(N)cc1
Cc1cc(CC(C)C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 Nc1ccc(cc1)[*:1] Cc1cc(CC(C)C)nc(n1)NS(=O)(=O)[*:1]
Cc1cc(CC(C)C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 CC(C)C[*:1] Cc1cc(nc(n1)NS(=O)(=O)c1ccc(N)cc1)[*:1]
O=C(OCc1nnnn1-c1ccccc1)C1CCCC1 C1CCC(C1)[*:1] O=C(OCc1nnnn1-c1ccccc1)[*:1]
O=C(OCc1nnnn1-c1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] O=C(OCc1nnnn1[*:1])C1CCCC1
CC[NH+](CC)CCn1ccc([C@@H](O)C(C)C)c1 CC(C)[*:1] CC[NH+](CC)CCn1ccc(c1)[C@@H](O)[*:1]
CC[NH+](CC)CCn1ccc([C@@H](O)C(C)C)c1 CC(C)[C@H](O)[*:1] CC[NH+](CC)CCn1ccc(c1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cnc(-c3ccsc3)s2)C1 c1cc(cs1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cnc(s1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cnc(-c3ccsc3)s2)C1 CCOC[*:1] O=C(c1cnc(s1)-c1ccsc1)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cnc(-c3ccsc3)s2)C1 CCO[*:1] O=C(c1cnc(s1)-c1ccsc1)N1CCC[C@@H](C1)C[*:1]
Cn1cnc2ccc(NC(=O)c3ccc(=O)n(CC(=O)NC4CCCC4)c3)cc21 O=C(NC1CCCC1)[*:1] Cn1cnc2ccc(cc21)NC(=O)c1ccc(=O)n(c1)C[*:1]
Cn1cnc2ccc(NC(=O)c3ccc(=O)n(CC(=O)NC4CCCC4)c3)cc21 O=C(C[*:1])NC1CCCC1 Cn1cnc2ccc(cc21)NC(=O)c1ccc(=O)n(c1)[*:1]
Cn1cnc2ccc(NC(=O)c3ccc(=O)n(CC(=O)NC4CCCC4)c3)cc21 C1CCC(C1)[*:1] Cn1cnc2ccc(cc21)NC(=O)c1ccc(=O)n(c1)CC(=O)N[*:1]
COc1ccc(NC(=O)c2ccc(-c3cnc(N4CCCC4)nc3)cc2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(N[*:1])c1ccc(cc1)-c1cnc(nc1)N1CCCC1
COc1ccc(NC(=O)c2ccc(-c3cnc(N4CCCC4)nc3)cc2)c(OC)c1 C1CCN(C1)[*:1] COc1ccc(NC(=O)c2ccc(cc2)-c2cnc(nc2)[*:1])c(c1)OC
Cc1nc2ccccc2n1Cc1cc(C(=O)NCCN2CCCCC2=O)n[nH]1 O=C1CCCCN1C[*:1] Cc1nc2ccccc2n1Cc1cc(n[nH]1)C(=O)NC[*:1]
Cc1nc2ccccc2n1Cc1cc(C(=O)NCCN2CCCCC2=O)n[nH]1 O=C1CCCCN1[*:1] Cc1nc2ccccc2n1Cc1cc(n[nH]1)C(=O)NCC[*:1]
Cc1nc2ccccc2n1Cc1cc(C(=O)NCCN2CCCCC2=O)n[nH]1 O=C1CCCCN1CC[*:1] Cc1nc2ccccc2n1Cc1cc(n[nH]1)C(=O)N[*:1]
O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O c1coc(c1)C[*:1] O=C(Nc1ccc(Br)cn1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O c1coc(c1)[*:1] O=C(Nc1ccc(Br)cn1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O Brc1ccc(nc1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
CCN(CC)c1cc2c(cc1F)c(=O)c(S(=O)(=O)c1ccc(OC)cc1)cn2C CCN(CC)[*:1] COc1ccc(cc1)S(=O)(=O)c1cn(C)c2cc(c(F)cc2c1=O)[*:1]
CCN(CC)c1cc2c(cc1F)c(=O)c(S(=O)(=O)c1ccc(OC)cc1)cn2C COc1ccc(cc1)[*:1] CCN(CC)c1cc2c(cc1F)c(=O)c(cn2C)S(=O)(=O)[*:1]
CCOC[C@@H]1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 O=[N+]([O-])[*:1] CCOC[C@@H]1CCN(C1)C(=O)c1nnn(-c2cccc(c2)[*:1])c1C
CCOC[C@@H]1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 CCO[*:1] Cc1c(nnn1-c1cccc(c1)[N+](=O)[O-])C(=O)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 CCOC[*:1] Cc1c(nnn1-c1cccc(c1)[N+](=O)[O-])C(=O)N1CC[C@H](C1)[*:1]
O=C(CCCCCN1C(=O)c2nccnc2C1=O)Nc1nccs1 c1csc(n1)[*:1] O=C(CCCCCN1C(=O)c2nccnc2C1=O)N[*:1]
O=C(CCCCCN1C(=O)c2nccnc2C1=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] O=C1c2nccnc2C(=O)N1CCCCC[*:1]
CCC[C@@H]1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)CCO1 CCC[*:1] O=C(Cc1c[nH]c2cc(F)ccc12)N1CCO[C@@H](C1)[*:1]
Cc1noc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)n1 Cc1noc(n1)[*:1] O=C(c1ccc(cc1)OC1CC[NH+](CC1)C[*:1])N1CCCCC1
Cc1noc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)n1 O=C(N1CCCCC1)[*:1] Cc1noc(C[NH+]2CCC(CC2)Oc2ccc(cc2)[*:1])n1
Cc1cc(N2CCOCC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 FC(F)(F)[*:1] Cc1cc(N2CCOCC2)n2nc(c(-c3ccccc3Cl)c2n1)[*:1]
Cc1cc(N2CCOCC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 Clc1ccccc1[*:1] Cc1cc(N2CCOCC2)n2nc(c(c2n1)[*:1])C(F)(F)F
Cc1cc(N2CCOCC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 C1CN(CCO1)[*:1] Cc1cc(n2nc(c(-c3ccccc3Cl)c2n1)C(F)(F)F)[*:1]
C[C@H]1CCCC[C@@H]1OCCSc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1OCCSc1nncn1[*:1]
Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C)c(C)c4)c3n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1c(=O)[nH]c2c(nc(nc21)[*:1])C(N)=O
Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C)c(C)c4)c3n2)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1nc(c2[nH]c(=O)n(-c3ccc(C)c(C)c3)c2n1)[*:1]
Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C)c(C)c4)c3n2)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)-c1nc(C(N)=O)c2[nH]c(=O)n(c2n1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)CC(=O)NC(C)C)CCC2=O)cc1C CC(C)NC(=O)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N[C@H](C)C[*:1]
Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)CC(=O)NC(C)C)CCC2=O)cc1C CC(C)NC(=O)C[C@@H](C)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)CC(=O)NC(C)C)CCC2=O)cc1C CC(C)NC(=O)C[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N[C@H](C)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)CC(=O)NC(C)C)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] CC(C)NC(=O)C[C@@H](C)NC(=O)[C@H]1CCC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)CC(=O)NC(C)C)CCC2=O)cc1C CC(C)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N[C@H](C)CC(=O)N[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2cn[nH]c2)C1 CCC[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)Nc1cn[nH]c1
CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2cn[nH]c2)C1 c1n[nH]cc1[*:1] CCCCNC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2cn[nH]c2)C1 CCCCNC(=O)[*:1] O=C(Nc1cn[nH]c1)N1CCC[C@@H](C1)[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2cn[nH]c2)C1 CCCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)Nc1cn[nH]c1
CCC[C@@H]1C[C@@H]1NC(=O)CSc1nnc(-c2cccs2)n1C c1csc(c1)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)CSc1nnc(n1C)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)CSc1nnc(-c2cccs2)n1C CCC[*:1] Cn1c(nnc1-c1cccs1)SCC(=O)N[C@H]1C[C@H]1[*:1]
Cc1cccc2sc(N(C[C@H]3CCCO3)C(=O)CSc3ccccc3)nc12 c1ccc(cc1)S[*:1] Cc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)C[*:1]
Cc1cccc2sc(N(C[C@H]3CCCO3)C(=O)CSc3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)CS[*:1]
Cc1cccc2sc(N(C[C@H]3CCCO3)C(=O)CSc3ccccc3)nc12 c1ccc(cc1)SC[*:1] Cc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)NC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)NC(=O)N[*:1]
C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)NC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)NC(=O)NC[*:1]
C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)NC(=O)NCc1ccccc1 C1CO[C@@H](C1)C[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)NC(=O)NCc1ccccc1
C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)NC(=O)NCc1ccccc1 C1CO[C@@H](C1)[*:1] C[C@H](Sc1nnnn1C[*:1])C(=O)NC(=O)NCc1ccccc1
COc1ccc(F)c(NC(=O)NCC(C)C)c1 CC(C)[*:1] COc1ccc(F)c(c1)NC(=O)NC[*:1]
COc1ccc(F)c(NC(=O)NCC(C)C)c1 CC(C)C[*:1] COc1ccc(F)c(c1)NC(=O)N[*:1]
O[C@H](c1cscc1Br)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O[C@H](c1cscc1Br)C1(CCOCC1)[*:1]
CSCC[C@@H](CO)n1cc[nH+]c1-c1ccccc1C(=O)[O-] O=C([O-])[*:1] CSCC[C@@H](CO)n1cc[nH+]c1-c1ccccc1[*:1]
CSCC[C@@H](CO)n1cc[nH+]c1-c1ccccc1C(=O)[O-] CSCC[*:1] O=C([O-])c1ccccc1-c1[nH+]ccn1[C@H](CO)[*:1]
CSCC[C@@H](CO)n1cc[nH+]c1-c1ccccc1C(=O)[O-] CSCC[C@@H](CO)[*:1] O=C([O-])c1ccccc1-c1[nH+]ccn1[*:1]
CSCC[C@@H](CO)n1cc[nH+]c1-c1ccccc1C(=O)[O-] CSC[*:1] O=C([O-])c1ccccc1-c1[nH+]ccn1[C@H](CO)C[*:1]
CCCn1c(C)cc(C(=O)CSc2ccc(C)cn2)c1C CCC[*:1] Cc1ccc(nc1)SCC(=O)c1cc(C)n(c1C)[*:1]
CCCn1c(C)cc(C(=O)CSc2ccc(C)cn2)c1C Cc1ccc(nc1)[*:1] CCCn1c(C)cc(C(=O)CS[*:1])c1C
Cc1cc(C)c(CN2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)S2(=O)=O)c(C)c1 Cc1cc(C)c(C[*:1])c(C)c1 O=C(C[NH+]1CCN(S1(=O)=O)[*:1])Nc1ccccc1C(F)(F)F
Cc1cc(C)c(CN2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)S2(=O)=O)c(C)c1 FC(F)(F)c1ccccc1[*:1] Cc1cc(C)c(CN2CC[NH+](CC(=O)N[*:1])S2(=O)=O)c(C)c1
Cc1cc(C)c(CN2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)S2(=O)=O)c(C)c1 FC(F)(F)[*:1] Cc1cc(C)c(CN2CC[NH+](CC(=O)Nc3ccccc3[*:1])S2(=O)=O)c(C)c1
Cc1cc(C)c(CN2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)S2(=O)=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(C[NH+]1CCN(C[*:1])S1(=O)=O)Nc1ccccc1C(F)(F)F
Cc1nc(CNc2ccccc2OC[C@H]2CCCCO2)sc1C C1CC[C@@H](OC1)[*:1] Cc1nc(CNc2ccccc2OC[*:1])sc1C
Cc1nc(CNc2ccccc2OC[C@H]2CCCCO2)sc1C Cc1nc(sc1C)[*:1] c1ccc(OC[C@H]2CCCCO2)c(c1)NC[*:1]
Cc1nc(CNc2ccccc2OC[C@H]2CCCCO2)sc1C C1CC[C@H](C[*:1])OC1 Cc1nc(CNc2ccccc2O[*:1])sc1C
C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O c1coc(c1)[*:1] C[C@@]1(NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O)[*:1]
C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O Clc1ccc(c(Cl)c1)[*:1] C[C@@]1(NC(=O)N(C[C@H](O)CO[*:1])C1=O)c1ccco1
Cc1cccc(N2CCN(C(=O)Cc3ccccc3F)CC2)c1 Fc1ccccc1[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)C[*:1]
Cc1cccc(N2CCN(C(=O)Cc3ccccc3F)CC2)c1 Cc1cccc(c1)[*:1] O=C(Cc1ccccc1F)N1CCN(CC1)[*:1]
C[C@H]1C[C@H](OCCOCCS)CC[C@H]1C SCCOC[*:1] C[C@H]1C[C@@H](CC[C@H]1C)OC[*:1]
C[C@H]1C[C@H](OCCOCCS)CC[C@H]1C SCCO[*:1] C[C@H]1C[C@@H](CC[C@H]1C)OCC[*:1]
C[C@H]1C[C@H](OCCOCCS)CC[C@H]1C SCC[*:1] C[C@H]1C[C@@H](CC[C@H]1C)OCCO[*:1]
CCOc1c(F)cccc1C(=O)Nc1nc(CC(N)=O)cs1 CCO[*:1] NC(=O)Cc1csc(n1)NC(=O)c1cccc(F)c1[*:1]
CCOc1c(F)cccc1C(=O)Nc1nc(CC(N)=O)cs1 NC(=O)[*:1] CCOc1c(F)cccc1C(=O)Nc1nc(cs1)C[*:1]
CCOc1c(F)cccc1C(=O)Nc1nc(CC(N)=O)cs1 NC(=O)C[*:1] CCOc1c(F)cccc1C(=O)Nc1nc(cs1)[*:1]
O=C(/C=C/c1ccc2ncccc2c1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(/C=C/c1ccc2ncccc2c1)[*:1]
CS[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] CS[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1nc(cs1)[*:1]
CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC)c(Cl)c1 CC[C@@H](C)[*:1] COc1ccc(cc1Cl)N1/C(=N\C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1ccccc1C(=O)NCC(C)(C)c1cccs1 c1csc(c1)[*:1] Cc1ccccc1C(=O)NCC(C)(C)[*:1]
C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(N)=O)[*:1]
O=C(CCc1ccc(Cl)s1)NC1CCC([NH+]2CCCCC2)CC1 Clc1ccc(C[*:1])s1 O=C(C[*:1])NC1CCC(CC1)[NH+]1CCCCC1
O=C(CCc1ccc(Cl)s1)NC1CCC([NH+]2CCCCC2)CC1 Clc1ccc(s1)[*:1] O=C(CC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
Cc1cc(=O)oc(C)c1C(=O)N[C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 CC(C)(C)[*:1] Cc1cc(=O)oc(C)c1C(=O)N[C@H]1CC(C)(C)Cc2nc(ncc21)[*:1]
Cc1cc(=O)oc(C)c1C(=O)N[C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 Cc1cc(=O)oc(C)c1[*:1] CC1(C)Cc2nc(ncc2[C@H](C1)NC(=O)[*:1])C(C)(C)C
COC(=O)c1ccc(C(=O)NCC2(c3ccccc3OC)CCCC2)nc1 COc1ccccc1[*:1] COC(=O)c1ccc(nc1)C(=O)NCC1(CCCC1)[*:1]
COC(=O)c1ccc(C(=O)NCC2(c3ccccc3OC)CCCC2)nc1 COC(=O)[*:1] COc1ccccc1C1(CCCC1)CNC(=O)c1ccc(cn1)[*:1]
Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1C Cc1ccc(cc1C)O[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1
Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(CO[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1
Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1C Fc1ccc(cc1F)[*:1] Cc1ccc(cc1C)OCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COCCNc1ccc(C#N)c([N+](=O)[O-])c1 COCC[*:1] N#Cc1ccc(cc1[N+](=O)[O-])N[*:1]
COCCNc1ccc(C#N)c([N+](=O)[O-])c1 COCCN[*:1] N#Cc1ccc(cc1[N+](=O)[O-])[*:1]
COCCNc1ccc(C#N)c([N+](=O)[O-])c1 COC[*:1] N#Cc1ccc(cc1[N+](=O)[O-])NC[*:1]
COCCNc1ccc(C#N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COCCNc1ccc(C#N)c(c1)[*:1]
C[C@H]1CCCN(C(=O)NCCc2cccs2)[C@@H]1C c1csc(c1)C[*:1] C[C@H]1CCCN(C(=O)NC[*:1])[C@@H]1C
C[C@H]1CCCN(C(=O)NCCc2cccs2)[C@@H]1C c1csc(c1)[*:1] C[C@H]1CCCN(C(=O)NCC[*:1])[C@@H]1C
CCn1nc(C)c2nc(CCl)n([C@@H](C)CCCC(C)C)c21 CC(C)CC[*:1] CCn1nc(C)c2nc(CCl)n(c21)[C@@H](C)C[*:1]
CCn1nc(C)c2nc(CCl)n([C@@H](C)CCCC(C)C)c21 CC(C)CCC[*:1] CCn1nc(C)c2nc(CCl)n(c21)[C@@H](C)[*:1]
CCn1nc(C)c2nc(CCl)n([C@@H](C)CCCC(C)C)c21 CC(C)C[*:1] CCn1nc(C)c2nc(CCl)n(c21)[C@@H](C)CC[*:1]
CCn1nc(C)c2nc(CCl)n([C@@H](C)CCCC(C)C)c21 CC(C)[*:1] CCn1nc(C)c2nc(CCl)n(c21)[C@@H](C)CCC[*:1]
CS[C@H]1CC[C@H]([NH2+][C@H](C)c2nccs2)C1 c1csc(n1)[*:1] CS[C@H]1CC[C@@H](C1)[NH2+][C@H](C)[*:1]
COc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1Br COc1ccccc1[*:1] COc1ccc(/C=N/NC(=O)CO[*:1])cc1Br
CCCCN(C)C(=O)N[C@H]1CCCc2ccc(F)cc21 CCC[*:1] CN(C[*:1])C(=O)N[C@H]1CCCc2ccc(F)cc21
CCCCN(C)C(=O)N[C@H]1CCCc2ccc(F)cc21 CCCC[*:1] CN(C(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
O=C(NCc1ccncc1)C(=O)Nc1ccccc1I c1cc(ccn1)[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1I
CCCc1cc(=O)n(CC(=O)NC(C)(C)C)c(-n2nc(C)cc2C)n1 Cc1cc(C)n(n1)[*:1] CCCc1cc(=O)n(CC(=O)NC(C)(C)C)c(n1)[*:1]
CCCc1cc(=O)n(CC(=O)NC(C)(C)C)c(-n2nc(C)cc2C)n1 CC(C)(C)[*:1] CCCc1cc(=O)n(CC(=O)N[*:1])c(n1)-n1nc(C)cc1C
CCCc1cc(=O)n(CC(=O)NC(C)(C)C)c(-n2nc(C)cc2C)n1 CC(C)(C)NC(=O)C[*:1] CCCc1cc(=O)n(c(n1)-n1nc(C)cc1C)[*:1]
CCCc1cc(=O)n(CC(=O)NC(C)(C)C)c(-n2nc(C)cc2C)n1 CCC[*:1] Cc1cc(C)n(n1)-c1nc(cc(=O)n1CC(=O)NC(C)(C)C)[*:1]
CCCc1cc(=O)n(CC(=O)NC(C)(C)C)c(-n2nc(C)cc2C)n1 CC(C)(C)NC(=O)[*:1] CCCc1cc(=O)n(C[*:1])c(n1)-n1nc(C)cc1C
C#CCOc1ccc(OC)cc1/C=C(/C#N)c1ccc(Cl)cc1 C#CCO[*:1] COc1ccc(c(/C=C(/C#N)c2ccc(Cl)cc2)c1)[*:1]
C#CCOc1ccc(OC)cc1/C=C(/C#N)c1ccc(Cl)cc1 C#CC[*:1] COc1ccc(O[*:1])c(/C=C(/C#N)c2ccc(Cl)cc2)c1
C#CCOc1ccc(OC)cc1/C=C(/C#N)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C#CCOc1ccc(cc1/C=C(/C#N)[*:1])OC
Cc1ccc(CN[C@@H](C(=O)NC2CC2)c2ccccc2)s1 O=C(NC1CC1)[*:1] Cc1ccc(CN[C@@H](c2ccccc2)[*:1])s1
Cc1ccc(CN[C@@H](C(=O)NC2CC2)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(CN[C@@H](C(=O)NC2CC2)[*:1])s1
Cc1ccc(CN[C@@H](C(=O)NC2CC2)c2ccccc2)s1 C1CC1[*:1] Cc1ccc(CN[C@@H](C(=O)N[*:1])c2ccccc2)s1
Cc1ccc(CN[C@@H](C(=O)NC2CC2)c2ccccc2)s1 Cc1ccc(s1)[*:1] O=C(NC1CC1)[C@H](NC[*:1])c1ccccc1
Cc1ccc(CN[C@@H](C(=O)NC2CC2)c2ccccc2)s1 Cc1ccc(C[*:1])s1 O=C(NC1CC1)[C@H](N[*:1])c1ccccc1
O=C(Cc1cccnc1)N/N=C/c1cc(Br)cs1 Brc1csc(c1)[*:1] O=C(Cc1cccnc1)NN=C[*:1]
O=C(Cc1cccnc1)N/N=C/c1cc(Br)cs1 c1cncc(c1)[*:1] O=C(C[*:1])N/N=C/c1cc(Br)cs1
C=CCOc1ccc(/C=C/C(=O)N2CCN(C(C)=O)CC2)cc1OC C=CCO[*:1] COc1cc(/C=C/C(=O)N2CCN(CC2)C(C)=O)ccc1[*:1]
C=CCOc1ccc(/C=C/C(=O)N2CCN(C(C)=O)CC2)cc1OC C=CC[*:1] COc1cc(/C=C/C(=O)N2CCN(CC2)C(C)=O)ccc1O[*:1]
CSCC(=O)N1CCN2C(=O)N(CC(N)=O)C(=O)[C@@H]2C1 NC(=O)C[*:1] CSCC(=O)N1CCN2C(=O)N(C(=O)[C@@H]2C1)[*:1]
CSCC(=O)N1CCN2C(=O)N(CC(N)=O)C(=O)[C@@H]2C1 CSC[*:1] NC(=O)CN1C(=O)[C@@H]2CN(CCN2C1=O)C(=O)[*:1]
CSCC(=O)N1CCN2C(=O)N(CC(N)=O)C(=O)[C@@H]2C1 NC(=O)[*:1] CSCC(=O)N1CCN2C(=O)N(C[*:1])C(=O)[C@@H]2C1
CCC1(CC)C(=O)NC(=[NH+]CCO)NC1=O OCC[*:1] CCC1(CC)C(=O)NC(NC1=O)=[NH+][*:1]
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c1 CC(C)[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1[*:1]
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c1 CNS(=O)(=O)[*:1] CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cccc(c1)[*:1]
COc1cccc(S(C)(=O)=O)c1N CS(=O)(=O)[*:1] COc1cccc(c1N)[*:1]
C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccco1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CNC(=O)C[*:1])c1ccco1
C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccco1 C[C@@H](c1ccco1)[*:1] O=C(Cc1ccccc1)NCC(=O)N[*:1]
C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccco1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)CNC(=O)[*:1])c1ccco1
C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)[*:1]
C[C@H]1CCN(C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)[C@@H](C)C1 c1ccc(cc1)[*:1] C[C@H]1CCN(C(=O)Nc2ccn(n2)[C@@H](C)[*:1])[C@@H](C)C1
C[C@H]1CCN(C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)[C@@H](C)C1 C[C@@H](c1ccccc1)[*:1] C[C@H]1CCN(C(=O)Nc2ccn(n2)[*:1])[C@@H](C)C1
COCCN1C[C@H](C(=O)N[C@H]2CCCc3ccc(F)cc32)CC1=O COCC[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)[C@@H]1CC(=O)N(C1)[*:1]
COCCN1C[C@H](C(=O)N[C@H]2CCCc3ccc(F)cc32)CC1=O COC[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)[C@@H]1CC(=O)N(C1)C[*:1]
COc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CCNC(=O)[C@@H]1C[C@H]1[*:1]
C[C@H]1CCN(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c2ccccc2S1 C1CC1[*:1] C[C@H]1CCN(C(=O)CSc2nnc(Cc3cccs3)n2[*:1])c2ccccc2S1
C[C@H]1CCN(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c2ccccc2S1 c1csc(c1)C[*:1] C[C@H]1CCN(C(=O)CSc2nnc(n2C2CC2)[*:1])c2ccccc2S1
C[C@H]1CCN(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c2ccccc2S1 c1csc(c1)[*:1] C[C@H]1CCN(C(=O)CSc2nnc(C[*:1])n2C2CC2)c2ccccc2S1
O=C(Cc1ccc(F)cc1)NNC(=O)Cc1c(F)cccc1Cl Fc1ccc(cc1)[*:1] O=C(Cc1c(F)cccc1Cl)NNC(=O)C[*:1]
CCc1onc(C)c1NC(=O)NCCc1ccsc1 c1cc(cs1)C[*:1] CCc1onc(C)c1NC(=O)NC[*:1]
CCc1onc(C)c1NC(=O)NCCc1ccsc1 c1cc(cs1)[*:1] CCc1onc(C)c1NC(=O)NCC[*:1]
Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1oc(cc1C(=O)N[C@H](C)[*:1])S(N)(=O)=O
Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1ccccc1 NS(=O)(=O)[*:1] Cc1oc(cc1C(=O)N[C@H](C)c1ccccc1)[*:1]
Cn1cc(C(=O)NC2CC[NH+](CC(C)(C)C)CC2)cn1 Cn1cc(cn1)[*:1] CC(C)(C)C[NH+]1CCC(CC1)NC(=O)[*:1]
Cn1cc(C(=O)NC2CC[NH+](CC(C)(C)C)CC2)cn1 CC(C)(C)[*:1] Cn1cc(cn1)C(=O)NC1CC[NH+](CC1)C[*:1]
Cn1cc(C(=O)NC2CC[NH+](CC(C)(C)C)CC2)cn1 CC(C)(C)C[*:1] Cn1cc(cn1)C(=O)NC1CC[NH+](CC1)[*:1]
ClCCc1nc2cnccc2n1[C@H]1C[C@H]2CC[C@@H]1C2 ClCC[*:1] c1cc2c(cn1)nc(n2[C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 Cc1n[nH]c(C)c1[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
C[C@H]1CN(C(=S)NC[C@H]2CCCO2)C[C@@H](C)O1 C1CO[C@H](C1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=S)NC[*:1]
C#Cc1cccc(NC(=O)NCCCOC[C@H]2CCOC2)c1 C1C[C@@H](CO1)CO[*:1] C#Cc1cccc(c1)NC(=O)NCCC[*:1]
Cc1nn(CCNC(=O)c2cc(CC(C)C)no2)c(C)c1Cl CC(C)[*:1] Cc1nn(CCNC(=O)c2cc(C[*:1])no2)c(C)c1Cl
Cc1nn(CCNC(=O)c2cc(CC(C)C)no2)c(C)c1Cl CC(C)C[*:1] Cc1nn(CCNC(=O)c2cc(no2)[*:1])c(C)c1Cl
O=C(CN1CC(=O)N2CCC[C@@H]2C1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2CCCN2C(=O)CN1CC(=O)[*:1]
COc1ccc2ccc(OC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)cc2c1 Clc1ccc(cc1)[*:1] COc1ccc2ccc(cc2c1)OC(=O)CCS(=O)(=O)[*:1]
CSC(C)(C)CNC(=O)COc1ccc(C)cc1 CSC(C)(C)C[*:1] Cc1ccc(cc1)OCC(=O)N[*:1]
CSC(C)(C)CNC(=O)COc1ccc(C)cc1 CSC(C)(C)[*:1] Cc1ccc(cc1)OCC(=O)NC[*:1]
Cc1cccc(-n2c(-c3ccccc3)nn(CC(=O)NC3CCCCC3)c2=S)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-n1c(nn(CC(=O)NC2CCCCC2)c1=S)[*:1]
Cc1cccc(-n2c(-c3ccccc3)nn(CC(=O)NC3CCCCC3)c2=S)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)-n1c(nn(CC(=O)N[*:1])c1=S)-c1ccccc1
Cc1cccc(-n2c(-c3ccccc3)nn(CC(=O)NC3CCCCC3)c2=S)c1 O=C(NC1CCCCC1)[*:1] Cc1cccc(c1)-n1c(nn(C[*:1])c1=S)-c1ccccc1
Cc1cccc(-n2c(-c3ccccc3)nn(CC(=O)NC3CCCCC3)c2=S)c1 Cc1cccc(c1)[*:1] O=C(Cn1nc(-c2ccccc2)n(c1=S)[*:1])NC1CCCCC1
CC(C)c1cccc(-n2cc([O-])c(C(=O)NCCCCC#N)n2)c1 N#CCCCC[*:1] CC(C)c1cccc(c1)-n1cc([O-])c(n1)C(=O)N[*:1]
CC(C)c1cccc(-n2cc([O-])c(C(=O)NCCCCC#N)n2)c1 N#CC[*:1] CC(C)c1cccc(c1)-n1cc([O-])c(n1)C(=O)NCCC[*:1]
CC(C)c1cccc(-n2cc([O-])c(C(=O)NCCCCC#N)n2)c1 N#CCC[*:1] CC(C)c1cccc(c1)-n1cc([O-])c(n1)C(=O)NCC[*:1]
CC(C)c1cccc(-n2cc([O-])c(C(=O)NCCCCC#N)n2)c1 N#CCCC[*:1] CC(C)c1cccc(c1)-n1cc([O-])c(n1)C(=O)NC[*:1]
CC(C)c1cccc(-n2cc([O-])c(C(=O)NCCCCC#N)n2)c1 CC(C)[*:1] N#CCCCCNC(=O)c1nn(cc1[O-])-c1cccc(c1)[*:1]
COC(=O)CCC1CC[NH+](Cc2ccc(C#N)o2)CC1 COC(=O)CC[*:1] N#Cc1ccc(C[NH+]2CCC(CC2)[*:1])o1
COC(=O)CCC1CC[NH+](Cc2ccc(C#N)o2)CC1 COC(=O)C[*:1] N#Cc1ccc(C[NH+]2CCC(CC2)C[*:1])o1
COC(=O)CCC1CC[NH+](Cc2ccc(C#N)o2)CC1 COC(=O)[*:1] N#Cc1ccc(C[NH+]2CCC(CC2)CC[*:1])o1
COc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 COc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NC[*:1]
COc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 CN(C)S(=O)(=O)[*:1] COc1ccc(cc1)CNC(=O)c1cc(ccc1Cl)[*:1]
Cc1nnc(-c2cccc(C(=O)Nc3cccnc3-n3ccnc3C)c2)o1 Cc1nccn1[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)Nc1cccnc1[*:1]
Cc1nnc(-c2cccc(C(=O)Nc3cccnc3-n3ccnc3C)c2)o1 Cc1nnc(o1)[*:1] Cc1nccn1-c1ncccc1NC(=O)c1cccc(c1)[*:1]
CC(C)[C@H]1CN(C(=O)c2ccncc2F)CCC(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CC(C)[C@H]1CN(CCC(=O)N1[*:1])C(=O)c1ccncc1F
CC(C)[C@H]1CN(C(=O)c2ccncc2F)CCC(=O)N1Cc1ccc(F)cc1 CC(C)[*:1] O=C(c1ccncc1F)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C1)[*:1]
CC(C)[C@H]1CN(C(=O)c2ccncc2F)CCC(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@H]1CN(CCC(=O)N1C[*:1])C(=O)c1ccncc1F
CC(C)[C@H]1CN(C(=O)c2ccncc2F)CCC(=O)N1Cc1ccc(F)cc1 Fc1cnccc1[*:1] CC(C)[C@H]1CN(CCC(=O)N1Cc1ccc(F)cc1)C(=O)[*:1]
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 C1CCC(C1)O[*:1] CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 CC(C)[*:1] O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@H]([NH2+]C1CCOCC1)[*:1]
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 C1CCC(C1)[*:1] CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(O[*:1])c(F)c1
CCCOc1ccc(Cl)cc1NC(=O)NC[C@@H](O)c1ccco1 CCC[*:1] O=C(NC[C@@H](O)c1ccco1)Nc1cc(Cl)ccc1O[*:1]
CCCOc1ccc(Cl)cc1NC(=O)NC[C@@H](O)c1ccco1 CCCO[*:1] O=C(NC[C@@H](O)c1ccco1)Nc1cc(Cl)ccc1[*:1]
CCCOc1ccc(Cl)cc1NC(=O)NC[C@@H](O)c1ccco1 c1coc(c1)[*:1] CCCOc1ccc(Cl)cc1NC(=O)NC[C@@H](O)[*:1]
C[C@H]([NH2+]Cc1ccccn1)c1cccc(NC(=O)Cc2ccccc2F)c1 Fc1ccccc1[*:1] C[C@H]([NH2+]Cc1ccccn1)c1cccc(c1)NC(=O)C[*:1]
C[C@H]([NH2+]Cc1ccccn1)c1cccc(NC(=O)Cc2ccccc2F)c1 Fc1ccccc1C[*:1] C[C@H]([NH2+]Cc1ccccn1)c1cccc(c1)NC(=O)[*:1]
C[C@H]([NH2+]Cc1ccccn1)c1cccc(NC(=O)Cc2ccccc2F)c1 c1ccc(nc1)[*:1] C[C@H]([NH2+]C[*:1])c1cccc(c1)NC(=O)Cc1ccccc1F
CNc1nc(NC[C@@H](C)C#N)nc(SC)n1 C[C@@H](C#N)[*:1] CNc1nc(nc(n1)SC)NC[*:1]
CNc1nc(NC[C@@H](C)C#N)nc(SC)n1 C[C@@H](C#N)C[*:1] CNc1nc(nc(n1)SC)N[*:1]
COC(=O)c1cc(OCc2ccc(C)cc2)c2ccccc2n1 Cc1ccc(cc1)[*:1] COC(=O)c1cc(OC[*:1])c2ccccc2n1
COC(=O)c1cc(OCc2ccc(C)cc2)c2ccccc2n1 COC(=O)[*:1] Cc1ccc(cc1)COc1cc(nc2ccccc12)[*:1]
COC[C@@H](NC(=O)CC(F)(F)F)C(N)=O FC(F)(F)[*:1] COC[C@@H](NC(=O)C[*:1])C(N)=O
COC[C@@H](NC(=O)CC(F)(F)F)C(N)=O COC[*:1] NC(=O)[C@H](NC(=O)CC(F)(F)F)[*:1]
COC[C@@H](NC(=O)CC(F)(F)F)C(N)=O FC(F)(F)C[*:1] COC[C@@H](NC(=O)[*:1])C(N)=O
COC[C@@H](NC(=O)CC(F)(F)F)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)CC(F)(F)F)[*:1]
Cc1noc([C@H](C)NC(=O)Nc2cccc3ccccc23)n1 Cc1noc(n1)[*:1] C[C@H](NC(=O)Nc1cccc2ccccc12)[*:1]
O=C(COC(=O)Cc1ccc(Br)cc1)Nc1cccc(I)c1 Brc1ccc(cc1)[*:1] O=C(COC(=O)C[*:1])Nc1cccc(I)c1
O=C(COC(=O)Cc1ccc(Br)cc1)Nc1cccc(I)c1 Ic1cccc(c1)[*:1] O=C(COC(=O)Cc1ccc(Br)cc1)N[*:1]
Cc1cccnc1[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)C Cc1cccnc1[*:1] CC(C)[C@H](NC(=O)CCn1cc(cn1)[N+](=O)[O-])[*:1]
Cc1cccnc1[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)C CC(C)[*:1] Cc1cccnc1[C@@H](NC(=O)CCn1cc(cn1)[N+](=O)[O-])[*:1]
Cc1cccnc1[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)C O=[N+]([O-])[*:1] Cc1cccnc1[C@@H](NC(=O)CCn1cc(cn1)[*:1])C(C)C
Cc1cccnc1[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)C O=[N+]([O-])c1cnn(c1)[*:1] Cc1cccnc1[C@@H](NC(=O)CC[*:1])C(C)C
CS[C@@H]1CCC[C@@H]1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F CC(C)(C)[*:1] CS[C@@H]1CCC[C@@H]1NC(=O)c1cc(ccc1F)NC(=O)[*:1]
CS[C@@H]1CCC[C@@H]1NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F CC(C)(C)C(=O)N[*:1] CS[C@@H]1CCC[C@@H]1NC(=O)c1cc(ccc1F)[*:1]
CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC COc1ccccc1[*:1] CCCNC(=O)c1cn(nc1[*:1])-c1ccccc1
CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC CCCNC(=O)[*:1] COc1ccccc1-c1nn(cc1[*:1])-c1ccccc1
CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC CCC[*:1] COc1ccccc1-c1nn(cc1C(=O)N[*:1])-c1ccccc1
CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC c1ccc(cc1)[*:1] CCCNC(=O)c1cn(nc1-c1ccccc1OC)[*:1]
Cc1ccccc1COC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1 O=[N+]([O-])[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)c1n[nH]c2ccc(cc12)[*:1]
Cc1ccccc1COC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1 Cc1ccccc1[*:1] O=C(c1n[nH]c2ccc(cc12)[N+](=O)[O-])N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1 Cc1ccccc1C[*:1] O=C(c1n[nH]c2ccc(cc12)[N+](=O)[O-])N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1 Cc1ccccc1CO[*:1] O=C(c1n[nH]c2ccc(cc12)[N+](=O)[O-])N1CCC(CC1)[*:1]
CCN(C1CCCCC1)[C@H](C[NH3+])CC(=O)NC CNC(=O)C[*:1] CCN(C1CCCCC1)[C@H](C[NH3+])[*:1]
CCN(C1CCCCC1)[C@H](C[NH3+])CC(=O)NC CNC(=O)[*:1] CCN(C1CCCCC1)[C@H](C[NH3+])C[*:1]
Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1ccccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1ccccc1[*:1]
CC(C)C(=O)NCCN(C)Cc1cc(F)cc(C(F)(F)F)c1 CC(C)C(=O)NC[*:1] CN(Cc1cc(F)cc(c1)C(F)(F)F)C[*:1]
CC(C)C(=O)NCCN(C)Cc1cc(F)cc(C(F)(F)F)c1 CC(C)[*:1] CN(CCNC(=O)[*:1])Cc1cc(F)cc(c1)C(F)(F)F
CC(C)C(=O)NCCN(C)Cc1cc(F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)C(=O)NCCN(C)Cc1cc(F)cc(c1)[*:1]
CC(C)C(=O)NCCN(C)Cc1cc(F)cc(C(F)(F)F)c1 CC(C)C(=O)N[*:1] CN(CC[*:1])Cc1cc(F)cc(c1)C(F)(F)F
CCn1c(N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc(=O)n(C)c1=O C1CCC(CC1)[*:1] CCn1c(cc(=O)n(C)c1=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1cccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1 O=C([O-])C[*:1] COc1cccc(c1)N1/C(=N/C(=O)C[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
COc1cccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1 O=C([O-])CC[*:1] COc1cccc(c1)N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
COc1cccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1 O=C([O-])[*:1] COc1cccc(c1)N1/C(=N/C(=O)CC[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
COc1cccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1 COc1cccc(c1)[*:1] O=C([O-])CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] CC[C@H](C)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)[*:1]
CCOc1ccc(F)c(C(=O)Nc2ccc(O)cc2)c1F Oc1ccc(cc1)[*:1] CCOc1ccc(F)c(C(=O)N[*:1])c1F
CCOc1ccc(F)c(C(=O)Nc2ccc(O)cc2)c1F CCO[*:1] O=C(Nc1ccc(O)cc1)c1c(F)ccc(c1F)[*:1]
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] Clc1ccc(cc1)-n1c(nnc1-c1ccncc1)SC[*:1]
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 c1cc(ccn1)[*:1] O=C(CSc1nnc(n1-c1ccc(Cl)cc1)[*:1])c1ccc(F)cc1
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])c1ccc(F)cc1
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)[*:1]
C[C@@H](CC1CCCC1)C(=O)NCC1(C(=O)N(C)C)CCCC1 C1CCC(C1)[*:1] C[C@@H](C[*:1])C(=O)NCC1(CCCC1)C(=O)N(C)C
C[C@@H](CC1CCCC1)C(=O)NCC1(C(=O)N(C)C)CCCC1 C1CCC(C1)C[*:1] C[C@@H](C(=O)NCC1(CCCC1)C(=O)N(C)C)[*:1]
C[C@@H](CC1CCCC1)C(=O)NCC1(C(=O)N(C)C)CCCC1 CN(C)C(=O)[*:1] C[C@@H](CC1CCCC1)C(=O)NCC1(CCCC1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1)[*:1]
CCc1nc(CSCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)no1 CCc1nc(no1)[*:1] Cc1cc(C(=O)CSC[*:1])c(C)n1[C@@H]1CCS(=O)(=O)C1
CCc1nc(CSCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)no1 CCc1nc(C[*:1])no1 Cc1cc(C(=O)CS[*:1])c(C)n1[C@@H]1CCS(=O)(=O)C1
CC(C)(C)Oc1cc(CNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)ccn1 C1CC1[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)N1CCC[C@@H]1C(=O)N[*:1]
CC(C)(C)Oc1cc(CNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)ccn1 O=C(NC1CC1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)N1CCC[C@H]1[*:1]
CC(C)(C)Oc1cc(CNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)ccn1 CC(C)(C)[*:1] O=C(NC1CC1)[C@H]1CCCN1C(=O)NCc1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(CNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)ccn1 CC(C)(C)O[*:1] O=C(NC1CC1)[C@H]1CCCN1C(=O)NCc1ccnc(c1)[*:1]
Cc1ccc([C@H](C)O)c(O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] Cc1ccc(c(c1)O[C@@H]1CCC[C@H](C1)[*:1])[C@H](C)O
Cc1ccc([C@H](C)O)c(O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 C[C@H](O)[*:1] Cc1ccc(c(c1)O[C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccncc1F CC(C)[*:1] CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1ccncc1F)[*:1]
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccncc1F Fc1cnccc1[*:1] CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[*:1]
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccncc1F CC(C)(C)[*:1] CC(C)[C@](C)(CNC(=O)O[*:1])NC(=O)c1ccncc1F
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccncc1F CC(C)(C)OC(=O)N[*:1] CC(C)[C@](C)(C[*:1])NC(=O)c1ccncc1F
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ncn(n1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc2cc(ccc2c1)[*:1] O=C(c1ccc(cc1)-n1cncn1)N1CCN(CC1)S(=O)(=O)[*:1]
C=CCN(CCc1ccccc1)S(=O)(=O)c1cn(C)c(C)n1 c1ccc(cc1)C[*:1] C=CCN(C[*:1])S(=O)(=O)c1cn(C)c(C)n1
C=CCN(CCc1ccccc1)S(=O)(=O)c1cn(C)c(C)n1 c1ccc(cc1)[*:1] C=CCN(CC[*:1])S(=O)(=O)c1cn(C)c(C)n1
C=CCN(CCc1ccccc1)S(=O)(=O)c1cn(C)c(C)n1 Cc1nc(cn1C)[*:1] C=CCN(CCc1ccccc1)S(=O)(=O)[*:1]
C=CCN(CCc1ccccc1)S(=O)(=O)c1cn(C)c(C)n1 C=CC[*:1] Cc1nc(cn1C)S(=O)(=O)N(CCc1ccccc1)[*:1]
COc1ccnc(N2CCN(C(=O)c3cnc(C4CC4)s3)CC2)n1 COc1ccnc(n1)[*:1] O=C(c1cnc(s1)C1CC1)N1CCN(CC1)[*:1]
COc1ccnc(N2CCN(C(=O)c3cnc(C4CC4)s3)CC2)n1 C1CC1[*:1] COc1ccnc(n1)N1CCN(CC1)C(=O)c1cnc(s1)[*:1]
COc1ccnc(N2CCN(C(=O)c3cnc(C4CC4)s3)CC2)n1 c1nc(sc1[*:1])C1CC1 COc1ccnc(n1)N1CCN(CC1)C(=O)[*:1]
CCCN1CC[NH+]([C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 CCC[*:1] C[C@H]1CC[C@H](C[NH3+])[C@@H](C1)[NH+]1CCN(CC1)[*:1]
C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nc2sc(C)c(C)c2c1=O C=CC[*:1] Cc1sc2nc(SCC(=O)N3CCc4ccccc4C3)n(c(=O)c2c1C)[*:1]
CN(Cc1cccs1)[C@H]1CCC[C@H]([NH3+])C1 c1csc(c1)[*:1] CN(C[*:1])[C@H]1CCC[C@H]([NH3+])C1
Cc1cnc(C)c(-c2ccc(F)c3c2O[C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)C3)n1 c1ccc(cc1)[*:1] Cc1cnc(C)c(n1)-c1ccc(F)c2C[C@H](CNC(=O)C(c3ccccc3)[*:1])Oc12
Cc1cnc(C)c(-c2ccc(F)c3c2O[C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)C3)n1 Cc1cnc(C)c(n1)[*:1] O=C(NC[C@H]1Cc2c(F)ccc(c2O1)[*:1])C(c1ccccc1)c1ccccc1
O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C(NCCNS(=O)(=O)[*:1])c1ccc(cc1)C(F)(F)F
O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc(cc1)[*:1]
Nc1ccc2nc(NCC3CCCCC3)oc2c1 C1CCC(CC1)[*:1] Nc1ccc2nc(NC[*:1])oc2c1
COc1ccccc1CC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(N)=O)C1 c1ccc(cc1)[*:1] COc1ccccc1CC(=O)N1CC[C@@](Cc2ccccc2[*:1])(C1)C(N)=O
COc1ccccc1CC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(N)=O)C1 COc1ccccc1C[*:1] NC(=O)[C@]1(CCN(C1)C(=O)[*:1])Cc1ccccc1-c1ccccc1
COc1ccccc1CC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(N)=O)C1 COc1ccccc1[*:1] NC(=O)[C@]1(CCN(C1)C(=O)C[*:1])Cc1ccccc1-c1ccccc1
COc1ccccc1CC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(N)=O)C1 NC(=O)[*:1] COc1ccccc1CC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C1)[*:1]
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 FC(F)(F)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] O=C(Nc1ccc(Cl)c(c1)C(F)(F)F)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] O=C(Nc1ccc(Cl)c(c1)C(F)(F)F)[C@@H]1CC(=O)N(C1)C[*:1]
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H](CC(C)C)NC(N)=O)C1 O=C([O-])[*:1] CO[C@@H]1C[C@H](N(C1)C(=O)[C@H](CC(C)C)NC(N)=O)[*:1]
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H](CC(C)C)NC(N)=O)C1 CC(C)C[*:1] CO[C@@H]1C[C@H](C(=O)[O-])N(C1)C(=O)[C@H](NC(N)=O)[*:1]
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H](CC(C)C)NC(N)=O)C1 NC(=O)N[*:1] CO[C@@H]1C[C@H](C(=O)[O-])N(C1)C(=O)[C@H](CC(C)C)[*:1]
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H](CC(C)C)NC(N)=O)C1 CC(C)[*:1] CO[C@@H]1C[C@H](C(=O)[O-])N(C1)C(=O)[C@H](C[*:1])NC(N)=O
Cc1ccsc1C(=O)OCC(=O)NCc1ccccc1F Cc1ccsc1[*:1] O=C(COC(=O)[*:1])NCc1ccccc1F
Cc1ccsc1C(=O)OCC(=O)NCc1ccccc1F Fc1ccccc1[*:1] Cc1ccsc1C(=O)OCC(=O)NC[*:1]
CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)c1ccc(Cl)cc1 CC(=O)N[*:1] CC(C)(C)[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)[*:1])C(N)=O
CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)c1ccc(Cl)cc1 CC(C)(C)[*:1] CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)c1ccc(Cl)cc1 NC(=O)[*:1] CC(=O)N[C@@H](CC(=O)N[C@H](C(C)(C)C)[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)c1ccc(Cl)cc1 CC(C)(C)[C@@H](C(N)=O)[*:1] CC(=O)N[C@@H](CC(=O)N[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)[*:1]
COCCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O COC[*:1] C[C@@H]1N[C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
COCCN1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O COCC[*:1] C[C@@H]1N[C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc3cnsc3c2)CC1 c1ccc(cc1)C[*:1] CN(C(=O)C1CCN(CC1)C(=O)c1ccc2cnsc2c1)[*:1]
CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc3cnsc3c2)CC1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)C1CCN(CC1)C(=O)c1ccc2cnsc2c1
CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc3cnsc3c2)CC1 c1cc2cnsc2cc1[*:1] CN(Cc1ccccc1)C(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)CCCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(CCCN1CC[C@H](C1)C[NH+]1CCCCC1)[*:1]
CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc2nc(C)c(C)nc2c1 COc1ccccc1[*:1] CCN(CC(=O)N[*:1])C(=O)c1ccc2nc(C)c(C)nc2c1
Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 C1CCN(C1)[*:1] Cc1cc(nc(n1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)[*:1]
Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 c1ccc2cc(ccc2c1)[*:1] Cc1cc(nc(n1)N1CCN(CC1)S(=O)(=O)[*:1])N1CCCC1
Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCO[C@H](C(N)=O)C2)no1 Cc1cc(no1)[*:1] NC(=O)[C@@H]1CN(CCO1)[C@H](C(=O)N[*:1])c1ccccc1
Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCO[C@H](C(N)=O)C2)no1 NC(=O)[*:1] Cc1cc(no1)NC(=O)[C@H](c1ccccc1)N1CCO[C@H](C1)[*:1]
Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCO[C@H](C(N)=O)C2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@H](N1CCO[C@@H](C1)C(N)=O)[*:1]
CCc1nn(C)cc1CNC(=O)N(C)[C@@H](C)c1cccnc1 c1cncc(c1)[*:1] CCc1nn(C)cc1CNC(=O)N(C)[C@@H](C)[*:1]
CCOc1cccc(/C=N/c2ccc(C)c(NC(C)=O)c2)c1O CC(=O)N[*:1] CCOc1cccc(/C=N/c2ccc(C)c(c2)[*:1])c1O
CCOc1cccc(/C=N/c2ccc(C)c(NC(C)=O)c2)c1O CCO[*:1] CC(=O)Nc1cc(ccc1C)/N=C/c1cccc(c1O)[*:1]
COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(Cl)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1OS(=O)(=O)c1ccc(Cl)cc1)[*:1]
COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1OS(=O)(=O)[*:1])[N+](=O)[O-]
CC/C=C(/C)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 FC(F)[*:1] CC/C=C(/C)C(=O)N[C@H]1CCCc2cc(ccc21)O[*:1]
CC/C=C(/C)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 FC(F)O[*:1] CC/C=C(/C)C(=O)N[C@H]1CCCc2cc(ccc21)[*:1]
CC/C=C(/C)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 CCC=C(C)[*:1] O=C(N[C@H]1CCCc2cc(ccc21)OC(F)F)[*:1]
CCN1c2ccccc2C2=C([C@@H](c3cccc(F)c3)C(C#N)=C(N)O2)S1(=O)=O Fc1cccc(c1)[*:1] CCN1c2ccccc2C2OC(N)=C(C#N)[C@H](C=2S1(=O)=O)[*:1]
COC(=O)c1ccc(COC(=O)c2cc(Cl)ccc2O)cc1 COC(=O)[*:1] O=C(OCc1ccc(cc1)[*:1])c1cc(Cl)ccc1O
CNC(=O)CSc1ncnc2sc(C)c(C)c12 CNC(=O)C[*:1] Cc1sc2ncnc(S[*:1])c2c1C
CNC(=O)CSc1ncnc2sc(C)c(C)c12 CNC(=O)[*:1] Cc1sc2ncnc(SC[*:1])c2c1C
CC[C@@H]1COCCN1C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C Fc1ccc(cc1)[*:1] CC[C@@H]1COCCN1C(=O)N[C@@H](C[*:1])C(C)C
CC[C@@H]1COCCN1C(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C CC(C)[*:1] CC[C@@H]1COCCN1C(=O)N[C@@H](Cc1ccc(F)cc1)[*:1]
CC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(C)cc1C CC(=O)O[*:1] Cc1ccc(NC(=O)c2cc3ccccc3cc2[*:1])c(C)c1
CC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CC(=O)Oc1cc2ccccc2cc1C(=O)N[*:1]
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1)c1ccco1 O=C(c1ccco1)[*:1] O=C1C([O-])=C([C@H](c2ccc(Br)cc2)N1Cc1cccnc1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1)c1ccco1 Brc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1[*:1])c1ccco1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1)c1ccco1 c1cncc(c1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(Br)cc1)c1ccco1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1)c1ccco1 c1coc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(Br)cc2)N1Cc1cccnc1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1)c1ccco1 c1cncc(c1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(Br)cc1)[*:1])c1ccco1
COc1ccc(SCC(=O)N[C@H](C)C(N)=O)cc1 C[C@H](C(N)=O)[*:1] COc1ccc(cc1)SCC(=O)N[*:1]
COc1ccc(SCC(=O)N[C@H](C)C(N)=O)cc1 NC(=O)[*:1] COc1ccc(cc1)SCC(=O)N[C@H](C)[*:1]
O=C([O-])[C@H](c1c[nH]c2cc(F)ccc12)[NH+]1CCN(CC(=O)N2CCOCC2)CC1 O=C(C[*:1])N1CCOCC1 O=C([O-])[C@H](c1c[nH]c2cc(F)ccc12)[NH+]1CCN(CC1)[*:1]
O=C([O-])[C@H](c1c[nH]c2cc(F)ccc12)[NH+]1CCN(CC(=O)N2CCOCC2)CC1 O=C(N1CCOCC1)[*:1] O=C([O-])[C@H](c1c[nH]c2cc(F)ccc12)[NH+]1CCN(CC1)C[*:1]
C[C@@H](CNC(=O)COc1ccc(F)cc1F)Oc1ccc(F)cc1 Fc1ccc(c(F)c1)[*:1] C[C@@H](CNC(=O)CO[*:1])Oc1ccc(F)cc1
C[C@@H](CNC(=O)COc1ccc(F)cc1F)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)COc1ccc(F)cc1F)O[*:1]
C[C@@H](CNC(=O)COc1ccc(F)cc1F)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C[C@@H](CNC(=O)COc1ccc(F)cc1F)[*:1]
Cc1cc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@H]2C)ccc1F N#Cc1ccccc1[*:1] Cc1cc(ccc1F)C(=O)N1CC(=O)N(C[C@H]1C)[*:1]
Cc1cc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@H]2C)ccc1F Cc1cc(ccc1F)[*:1] C[C@@H]1CN(C(=O)CN1C(=O)[*:1])c1ccccc1C#N
CCCC[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(F)c1 CCC[*:1] NC(=O)N[C@H](C[*:1])C(=O)Nc1ccc(Cl)c(F)c1
CCCC[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(F)c1 CCCC[*:1] NC(=O)N[C@@H](C(=O)Nc1ccc(Cl)c(F)c1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(F)c1 NC(=O)N[*:1] CCCC[C@@H](C(=O)Nc1ccc(Cl)c(F)c1)[*:1]
COCC[NH2+]CC(=O)Nc1cnn(C)c1 COCC[*:1] Cn1cc(cn1)NC(=O)C[NH2+][*:1]
COCC[NH2+]CC(=O)Nc1cnn(C)c1 COC[*:1] Cn1cc(cn1)NC(=O)C[NH2+]C[*:1]
c1csc(Cn2cccc2CN2CCCC[C@H]2C2OCCO2)c1 c1csc(c1)C[*:1] c1cc(CN2CCCC[C@H]2C2OCCO2)n(c1)[*:1]
c1csc(Cn2cccc2CN2CCCC[C@H]2C2OCCO2)c1 c1csc(c1)[*:1] c1cc(CN2CCCC[C@H]2C2OCCO2)n(c1)C[*:1]
c1csc(Cn2cccc2CN2CCCC[C@H]2C2OCCO2)c1 C1COC(O1)[*:1] c1csc(c1)Cn1cccc1CN1CCCC[C@@H]1[*:1]
Cc1ccc2cc(C(=O)NCc3ccccc3S(=O)(=O)NC(C)(C)C)[nH]c2c1 CC(C)(C)[*:1] Cc1ccc2cc([nH]c2c1)C(=O)NCc1ccccc1S(=O)(=O)N[*:1]
Cc1ccc2cc(C(=O)NCc3ccccc3S(=O)(=O)NC(C)(C)C)[nH]c2c1 CC(C)(C)NS(=O)(=O)[*:1] Cc1ccc2cc([nH]c2c1)C(=O)NCc1ccccc1[*:1]
C[C@H]1OCC[C@H]1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 C[NH+](C)CCNC(=O)[*:1] C[C@H]1OCC[C@H]1C(=O)NCc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N=C2NCN(C)CN2)cc1 CC(=O)N[*:1] CN1CNC(=NS(=O)(=O)c2ccc(cc2)[*:1])NC1
Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(=O)N3CCOCC3)C2)cc1F O=C(N1CCOCC1)[*:1] Cc1ccc(cc1F)C(=O)N1C[C@H](C[C@H](C1)[*:1])C(=O)[O-]
Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(=O)N3CCOCC3)C2)cc1F O=C([O-])[*:1] Cc1ccc(cc1F)C(=O)N1C[C@H](C[C@H](C1)[*:1])C(=O)N1CCOCC1
Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])C[C@H](C(=O)N3CCOCC3)C2)cc1F Cc1ccc(cc1F)[*:1] O=C([O-])[C@H]1C[C@@H](CN(C1)C(=O)[*:1])C(=O)N1CCOCC1
C[C@H](CCCO)NC(=O)c1cc(F)ccc1Br OCC[*:1] C[C@H](C[*:1])NC(=O)c1cc(F)ccc1Br
C[C@H](CCCO)NC(=O)c1cc(F)ccc1Br OCCC[*:1] C[C@H](NC(=O)c1cc(F)ccc1Br)[*:1]
O=C1CCC(=O)N1Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 O=C1CCC(=O)N1[*:1] O=C(c1ccc(cc1)C[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
O=C1CCC(=O)N1Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 O=C1CCC(=O)N1C[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
O=C1CCC(=O)N1Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 c1cc2OCCOc2cc1[*:1] O=C1CCC(=O)N1Cc1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)c1cccc(c1)[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(CC1)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(CC1)c1cccc(c1)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 c1ccc2c(c[nH]c2c1)C[*:1] CC(=O)N[C@H](C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 CC(=O)N[*:1] O=C([C@@H](Cc1c[nH]c2ccccc12)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 COC(=O)[*:1] C[C@]1(CCCC[C@@H]1[*:1])NS(=O)(=O)c1cc(F)cc(c1)[N+](=O)[O-]
COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1cc(F)cc(c1)[*:1]
CC1(C)O[C@H]2[C@H](O)[C@H](OCc3ccccc3)OC[C@H]2O1 c1ccc(cc1)[*:1] CC1(C)O[C@H]2[C@H](O)[C@@H](OC[C@H]2O1)OC[*:1]
CC(C)(C)NC(=S)N/N=C/c1cccnc1 CC(C)(C)[*:1] S=C(N/N=C/c1cccnc1)N[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3ccc4ccccc43)CC2)cc1 c1ccc2c(c1)ccn2C[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3ccc4ccccc43)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCCn1ccc2ccccc21)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3ccc4ccccc43)CC2)cc1 c1ccc2c(c1)ccn2[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)C(C)(C)[*:1]
Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)C(C)(C)c1ccccc1 Cc1nn(C)c(C)c1[*:1] C[C@H](NC(=O)CC[*:1])C(C)(C)c1ccccc1
C/[NH+]=C(/NCc1nc(C(C)(C)C)cs1)N(C)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] C/[NH+]=C(/NCc1nc(cs1)C(C)(C)C)N(C)C[*:1]
C/[NH+]=C(/NCc1nc(C(C)(C)C)cs1)N(C)Cc1cnn(C)c1 CC(C)(C)[*:1] C/[NH+]=C(/NCc1nc(cs1)[*:1])N(C)Cc1cnn(C)c1
C/[NH+]=C(/NCc1nc(C(C)(C)C)cs1)N(C)Cc1cnn(C)c1 Cn1cc(cn1)C[*:1] C/[NH+]=C(/NCc1nc(cs1)C(C)(C)C)N(C)[*:1]
COc1cc(/C=C/C(=O)N2CC[C@@H](C)[C@H](O)C2)ccc1OC(F)F FC(F)[*:1] COc1cc(/C=C/C(=O)N2CC[C@@H](C)[C@H](O)C2)ccc1O[*:1]
COc1cc(/C=C/C(=O)N2CC[C@@H](C)[C@H](O)C2)ccc1OC(F)F FC(F)O[*:1] COc1cc(/C=C/C(=O)N2CC[C@@H](C)[C@H](O)C2)ccc1[*:1]
CCC[C@@H]1C(=O)NC(=O)C[C@H]1c1ccc(F)cc1 CCC[*:1] O=C1C[C@@H](c2ccc(F)cc2)[C@@H](C(=O)N1)[*:1]
Cc1[nH]ncc1C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] Cc1[nH]ncc1C(=O)NCC(=O)Nc1ccc(cc1)[*:1]
Cc1[nH]ncc1C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 Cc1[nH]ncc1[*:1] O=C(CNC(=O)[*:1])Nc1ccc(cc1)-n1cccn1
Cc1ccc(C(=O)Nc2ncnc3sc4c(c23)CCCC4)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1ncnc2sc3CCCCc3c12)[*:1]
CC(C)c1nn(C)c(Cl)c1C[NH+](CC(N)=O)Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)c1nn(C)c(Cl)c1C[NH+](CC(N)=O)[*:1]
CC(C)c1nn(C)c(Cl)c1C[NH+](CC(N)=O)Cc1ccccc1 NC(=O)C[*:1] CC(C)c1nn(C)c(Cl)c1C[NH+](Cc1ccccc1)[*:1]
CC(C)c1nn(C)c(Cl)c1C[NH+](CC(N)=O)Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)c1nn(C)c(Cl)c1C[NH+](CC(N)=O)C[*:1]
CC(C)c1nn(C)c(Cl)c1C[NH+](CC(N)=O)Cc1ccccc1 CC(C)[*:1] Cn1nc(c(C[NH+](CC(N)=O)Cc2ccccc2)c1Cl)[*:1]
CC(C)c1nn(C)c(Cl)c1C[NH+](CC(N)=O)Cc1ccccc1 NC(=O)[*:1] CC(C)c1nn(C)c(Cl)c1C[NH+](Cc1ccccc1)C[*:1]
COc1cccc(CN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)c1 COc1cccc(c1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1C[*:1]
COc1cccc(CN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)c1 COc1cccc(c1)C[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1[*:1]
Cc1cc(N2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)n2nc(C)c(C)c2n1 Cc1nc(cc(=O)[nH]1)[*:1] Cc1cc(N2CCC[C@H](C2)[*:1])n2nc(C)c(C)c2n1
Cc1ccc(C)c(Sc2ncccc2C(=O)N2CCO[C@@H](C)C2)c1 Cc1ccc(C)c(c1)[*:1] C[C@H]1CN(CCO1)C(=O)c1cccnc1S[*:1]
CC[C@@H](SC)C(=O)OCc1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@@H](SC)C(=O)OCc1ccn(n1)[*:1]
CC(C)C[C@@H]1C[NH2+]CC[C@@]12CCC[C@H](C(F)(F)F)C2 CC(C)[*:1] FC(F)(F)[C@H]1CCC[C@@]2(CC[NH2+]C[C@H]2C[*:1])C1
CC(C)C[C@@H]1C[NH2+]CC[C@@]12CCC[C@H](C(F)(F)F)C2 FC(F)(F)[*:1] CC(C)C[C@@H]1C[NH2+]CC[C@@]12CCC[C@H](C2)[*:1]
CC(C)C[C@@H]1C[NH2+]CC[C@@]12CCC[C@H](C(F)(F)F)C2 CC(C)C[*:1] FC(F)(F)[C@H]1CCC[C@@]2(CC[NH2+]C[C@H]2[*:1])C1
CC(C)/N=C1/O[C@](c2ccccc2)(C(C)(C)C)NC(=O)N1C(C)C CC(C)[*:1] CC(C)/N=C1/O[C@](NC(=O)N1[*:1])(c1ccccc1)C(C)(C)C
CC(C)/N=C1/O[C@](c2ccccc2)(C(C)(C)C)NC(=O)N1C(C)C CC(C)(C)[*:1] CC(C)/N=C1/O[C@@](NC(=O)N1C(C)C)(c1ccccc1)[*:1]
CC(C)/N=C1/O[C@](c2ccccc2)(C(C)(C)C)NC(=O)N1C(C)C CC(C)[*:1] CC(C)N1C(=O)N[C@@](OC1=N[*:1])(c1ccccc1)C(C)(C)C
CC(C)/N=C1/O[C@](c2ccccc2)(C(C)(C)C)NC(=O)N1C(C)C c1ccc(cc1)[*:1] CC(C)/N=C1/O[C@@](NC(=O)N1C(C)C)(C(C)(C)C)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)N[C@H]3CCCC[C@H]3C)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(CC1)C(=O)[*:1]
CC(=O)c1ccc(OCC(=O)NCc2nc(-c3ccccc3)cs2)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])NCc1nc(cs1)-c1ccccc1
CC(=O)c1ccc(OCC(=O)NCc2nc(-c3ccccc3)cs2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)OCC(=O)NCc1nc(cs1)[*:1]
CC[C@@H](COC)NC(=O)[C@H](C)c1ccc2ccccc2c1 COC[*:1] CC[C@@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)[*:1]
CC[C@@H](COC)NC(=O)[C@H](C)c1ccc2ccccc2c1 CC[C@@H](COC)[*:1] C[C@@H](C(=O)N[*:1])c1ccc2ccccc2c1
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)Cn1ccnc1 c1cn(cn1)C[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)Cn1ccnc1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCCN1C(=O)Cn1ccnc1)O[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)Cn1ccnc1 c1cn(cn1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)C[*:1]
Cc1ccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)c1nnc2sc(nn2c1=O)SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)NC(=O)CSc1nn2c(=O)c(nnc2s1)[*:1]
NS(=O)(=O)c1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)NCC(c1ccccc1)[*:1]
NS(=O)(=O)c1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1 NS(=O)(=O)[*:1] O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(cc1)[*:1]
COC(=O)C[C@H](NC(=O)Nc1cc(-n2cccc2)ccc1F)C1CC1 COC(=O)C[*:1] O=C(Nc1cc(ccc1F)-n1cccc1)N[C@H](C1CC1)[*:1]
COC(=O)C[C@H](NC(=O)Nc1cc(-n2cccc2)ccc1F)C1CC1 C1CC1[*:1] COC(=O)C[C@H](NC(=O)Nc1cc(ccc1F)-n1cccc1)[*:1]
COC(=O)C[C@H](NC(=O)Nc1cc(-n2cccc2)ccc1F)C1CC1 c1ccn(c1)[*:1] COC(=O)C[C@H](NC(=O)Nc1cc(ccc1F)[*:1])C1CC1
COC(=O)C[C@H](NC(=O)Nc1cc(-n2cccc2)ccc1F)C1CC1 COC(=O)[*:1] O=C(Nc1cc(ccc1F)-n1cccc1)N[C@@H](C[*:1])C1CC1
CC[C@@H](CO)N1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 c1cnc(cn1)O[*:1] CC[C@@H](CO)N1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC[C@@H](CO)N1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 c1cnc(cn1)[*:1] CC[C@@H](CO)N1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
COc1cc(NC2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc(OC)c1 NC(=O)[*:1] COc1cc(cc(c1)OC)NC1CCN(CC1)[C@H](c1ccccc1)[*:1]
COc1cc(NC2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc(OC)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC1CCN(CC1)[C@H](C(N)=O)[*:1]
CO[C@@H](C)[C@H]([NH3+])c1ccc(F)c(F)c1 CO[C@@H](C)[*:1] [NH3+][C@H](c1ccc(F)c(F)c1)[*:1]
CCCNC(=O)CN1CCN(c2ccc(NC(C)=O)c(C(=O)[O-])c2)CC1 O=C([O-])[*:1] CCCNC(=O)CN1CCN(CC1)c1ccc(NC(C)=O)c(c1)[*:1]
CCCNC(=O)CN1CCN(c2ccc(NC(C)=O)c(C(=O)[O-])c2)CC1 CC(=O)N[*:1] CCCNC(=O)CN1CCN(CC1)c1ccc(c(c1)C(=O)[O-])[*:1]
CCCNC(=O)CN1CCN(c2ccc(NC(C)=O)c(C(=O)[O-])c2)CC1 CCCNC(=O)[*:1] CC(=O)Nc1ccc(cc1C(=O)[O-])N1CCN(CC1)C[*:1]
CCCNC(=O)CN1CCN(c2ccc(NC(C)=O)c(C(=O)[O-])c2)CC1 CCCNC(=O)C[*:1] CC(=O)Nc1ccc(cc1C(=O)[O-])N1CCN(CC1)[*:1]
CCCNC(=O)CN1CCN(c2ccc(NC(C)=O)c(C(=O)[O-])c2)CC1 CCC[*:1] CC(=O)Nc1ccc(cc1C(=O)[O-])N1CCN(CC1)CC(=O)N[*:1]
Cc1ccc(NC(=O)N[C@H]2CC=CCC2)cc1OCC(F)F FC(F)C[*:1] Cc1ccc(cc1O[*:1])NC(=O)N[C@H]1CC=CCC1
Cc1ccc(NC(=O)N[C@H]2CC=CCC2)cc1OCC(F)F FC(F)CO[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@H]1CC=CCC1
Cc1ccc(NC(=O)N[C@H]2CC=CCC2)cc1OCC(F)F FC(F)[*:1] Cc1ccc(cc1OC[*:1])NC(=O)N[C@H]1CC=CCC1
COc1cc([C@H]2N=[NH+]C(=S)N2/N=C/C(C)=C/c2ccco2)cc(OC)c1OC c1coc(c1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1N=[NH+]C(=S)N1/N=C/C(/C)=C[*:1]
COc1cc([C@H]2N=[NH+]C(=S)N2/N=C/C(C)=C/c2ccco2)cc(OC)c1OC CC(=Cc1ccco1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1N=[NH+]C(=S)N1N=C[*:1]
O=C1c2ccccc2CC[C@@H]1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2CC[C@@H]1S(=O)(=O)[*:1]
COc1ccccc1CNc1nc(-c2ccncc2)nc2c1CCC2 c1cc(ccn1)[*:1] COc1ccccc1CNc1nc(nc2CCCc21)[*:1]
COc1ccccc1CNc1nc(-c2ccncc2)nc2c1CCC2 COc1ccccc1[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)NC[*:1]
COc1ccccc1[C@H](C)[NH2+][C@@H](CO)c1cnn(C)c1 Cn1cc(cn1)[*:1] COc1ccccc1[C@H](C)[NH2+][C@@H](CO)[*:1]
Nc1ccc(SC[C@@H](O)CO)c(C(F)(F)F)c1 OC[C@H](O)C[*:1] Nc1ccc(S[*:1])c(c1)C(F)(F)F
Nc1ccc(SC[C@@H](O)CO)c(C(F)(F)F)c1 OC[C@H](O)[*:1] Nc1ccc(SC[*:1])c(c1)C(F)(F)F
Nc1ccc(SC[C@@H](O)CO)c(C(F)(F)F)c1 FC(F)(F)[*:1] Nc1ccc(SC[C@@H](O)CO)c(c1)[*:1]
COc1nc2ccccc2nc1C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1nc2ccccc2nc1C(=O)N[*:1]
O=C(/C=C/c1ccnc(Cl)c1)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(/C=C/c1ccnc(Cl)c1)N[C@@H]1CCN(C1)C[*:1]
O=C(/C=C/c1ccnc(Cl)c1)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(/C=C/c1ccnc(Cl)c1)N[C@@H]1CCN(C1)[*:1]
O=C(/C=C/c1ccnc(Cl)c1)N[C@@H]1CCN(CC(F)(F)F)C1 Clc1cc(ccn1)[*:1] O=C(C=C[*:1])N[C@@H]1CCN(C1)CC(F)(F)F
Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)N2CCCC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)N2CCCC2)n(n1)[*:1]
O[C@@H](COc1ccccc1)[C@@H]1CCOC2(CCCCC2)C1 c1ccc(cc1)[*:1] O[C@@H](CO[*:1])[C@@H]1CCOC2(CCCCC2)C1
O[C@@H](COc1ccccc1)[C@@H]1CCOC2(CCCCC2)C1 c1ccc(cc1)O[*:1] O[C@@H](C[*:1])[C@@H]1CCOC2(CCCCC2)C1
CC(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1 CC(C)[*:1] O=C(NC(=S)NNC(=O)c1ccccc1Cl)c1ccc(cc1)[*:1]
CC(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CC(C)c1ccc(cc1)C(=O)NC(=S)NNC(=O)[*:1]
O=C(Cc1c(Sc2cccc(F)c2)[nH]c2ccccc12)NC[C@@H]1CCCO1 Fc1cccc(c1)S[*:1] O=C(Cc1c([nH]c2ccccc12)[*:1])NC[C@@H]1CCCO1
O=C(Cc1c(Sc2cccc(F)c2)[nH]c2ccccc12)NC[C@@H]1CCCO1 Fc1cccc(c1)[*:1] O=C(Cc1c([nH]c2ccccc12)S[*:1])NC[C@@H]1CCCO1
CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccncc1)CC2 c1cc(ccn1)C[*:1] CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(CC2)[*:1]
CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccncc1)CC2 c1cc(ccn1)[*:1] CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(CC2)C[*:1]
CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccncc1)CC2 NC(=O)C[*:1] CCN1C(=O)N(C(=O)C12CCN(CC2)Cc1ccncc1)[*:1]
CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccncc1)CC2 NC(=O)[*:1] CCN1C(=O)N(C[*:1])C(=O)C12CCN(CC2)Cc1ccncc1
CCCN(CCC)C(=O)c1noc2c1COc1ccccc1-2 CCC[*:1] CCCN(C(=O)c1noc2-c3ccccc3OCc12)[*:1]
CC(=O)c1cnc(-c2ccccn2)s1 CC(=O)[*:1] c1ccc(nc1)-c1ncc(s1)[*:1]
CSc1ccc(NCC(=O)Nc2ccnn2C2CCCC2)cc1F C1CCC(C1)[*:1] CSc1ccc(cc1F)NCC(=O)Nc1ccnn1[*:1]
O=C(CSc1nc2ccccc2n1-c1ccccc1)C1CCOCC1 O=C(C1CCOCC1)[*:1] c1ccc(cc1)-n1c(nc2ccccc21)SC[*:1]
O=C(CSc1nc2ccccc2n1-c1ccccc1)C1CCOCC1 c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2n1[*:1])C1CCOCC1
O=C(CSc1nc2ccccc2n1-c1ccccc1)C1CCOCC1 C1CC(CCO1)[*:1] O=C(CSc1nc2ccccc2n1-c1ccccc1)[*:1]
COc1ccc(-c2c[nH]c([C@@H]3CC(=O)N(C(C)C)C3)[nH+]2)c(F)c1 CC(C)[*:1] COc1ccc(-c2c[nH]c([nH+]2)[C@@H]2CC(=O)N(C2)[*:1])c(F)c1
C=C(Br)CN1CCN([C@@H](CC)CO)CC1 CC[C@@H](CO)[*:1] C=C(Br)CN1CCN(CC1)[*:1]
C=C(Br)CN1CCN([C@@H](CC)CO)CC1 C=C(Br)[*:1] CC[C@@H](CO)N1CCN(CC1)C[*:1]
C=C(Br)CN1CCN([C@@H](CC)CO)CC1 C=C(Br)C[*:1] CC[C@@H](CO)N1CCN(CC1)[*:1]
CCn1c(S[C@H](C(=O)N2CCOCC2)C(C)C)nc2ccsc2c1=O O=C(N1CCOCC1)[*:1] CCn1c(nc2ccsc2c1=O)S[C@H](C(C)C)[*:1]
CCn1c(S[C@H](C(=O)N2CCOCC2)C(C)C)nc2ccsc2c1=O CC(C)[*:1] CCn1c(nc2ccsc2c1=O)S[C@H](C(=O)N1CCOCC1)[*:1]
Cc1cccc([C@H](C)NC(=O)N(CCCCO)C2CC2)c1C OCCCC[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)N(C1CC1)[*:1]
Cc1cccc([C@H](C)NC(=O)N(CCCCO)C2CC2)c1C OCCC[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)N(C[*:1])C1CC1
Cc1cccc([C@H](C)NC(=O)N(CCCCO)C2CC2)c1C C1CC1[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)N(CCCCO)[*:1]
Cc1cccc([C@H](C)NC(=O)N(CCCCO)C2CC2)c1C OCC[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)N(CC[*:1])C1CC1
CCOc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1 CCO[*:1] Cn1nnc(n1)NC(=S)NC(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1 Cn1nnc(n1)[*:1] CCOc1ccc(cc1)C(=O)NC(=S)N[*:1]
COc1cc(NC(=O)NCCc2c(C)nn(C)c2C)cc(OC)c1OC Cc1nn(C)c(C)c1[*:1] COc1cc(cc(OC)c1OC)NC(=O)NCC[*:1]
O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(C(=O)[C@H]2N=NC3=C2CCC3)C1 Fc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN(C1)C(=O)[C@H]1N=NC2CCCC=21
COc1cccc2c1OC[C@@H](NC(=O)Cc1cnn(-c3ccccc3)c1)C2 c1ccc(cc1)[*:1] COc1cccc2C[C@@H](COc21)NC(=O)Cc1cnn(c1)[*:1]
CCn1nnc2cc(C(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)ccc21 FC(F)(F)[*:1] CCn1nnc2cc(ccc21)C(=O)N1CCN(CC1)CC(=O)Nc1ccccc1[*:1]
CCn1nnc2cc(C(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)ccc21 CCn1nnc2cc(ccc21)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1ccccc1C(F)(F)F
CCn1nnc2cc(C(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)ccc21 FC(F)(F)c1ccccc1[*:1] CCn1nnc2cc(ccc21)C(=O)N1CCN(CC1)CC(=O)N[*:1]
COc1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)NC[C@](O)(C1CC1)[*:1]
COc1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)S(=O)(=O)NC[C@](O)(c1ccccc1)[*:1]
COc1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(NC[C@](O)(c1ccccc1)C1CC1)[*:1]
CC(=O)N[C@@H]1C(=O)N=C(SCC(=O)Nc2c(Cl)cccc2Cl)NC1=O CC(=O)N[*:1] O=C(CSC1=NC(=O)[C@H](C(=O)N1)[*:1])Nc1c(Cl)cccc1Cl
CC(=O)N[C@@H]1C(=O)N=C(SCC(=O)Nc2c(Cl)cccc2Cl)NC1=O Clc1cccc(Cl)c1[*:1] CC(=O)N[C@@H]1C(=O)N=C(NC1=O)SCC(=O)N[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 C[C@H](C#N)C[*:1] CCN(C(=O)Nc1ccc2O[C@H](C)C(=O)Nc2c1)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 C[C@H](C#N)[*:1] CCN(C[*:1])C(=O)Nc1ccc2O[C@H](C)C(=O)Nc2c1
Cc1ccc(OC(=O)CCc2nc(C(C)(C)C)no2)c(C)c1 CC(C)(C)[*:1] Cc1ccc(OC(=O)CCc2nc(no2)[*:1])c(C)c1
Cc1ccc2nc(C(=O)N(C)Cc3cc(-c4cccnc4)no3)c(F)n2c1 c1cncc(c1)[*:1] Cc1ccc2nc(C(=O)N(C)Cc3cc(no3)[*:1])c(F)n2c1
CSCC[C@@H](NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] CSCC[C@@H](NC(=O)c1ccc(cc1)-n1nc(C)c(Cl)c1C)[*:1]
CSCC[C@@H](NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1nnc2ccccn12 Cc1nn(c(C)c1Cl)[*:1] CSCC[C@@H](NC(=O)c1ccc(cc1)[*:1])c1nnc2ccccn12
CSCC[C@@H](NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1nnc2ccccn12 CSCC[*:1] Cc1nn(-c2ccc(cc2)C(=O)N[C@@H](c2nnc3ccccn23)[*:1])c(C)c1Cl
CSCC[C@@H](NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1nnc2ccccn12 CSC[*:1] Cc1nn(-c2ccc(cc2)C(=O)N[C@H](C[*:1])c2nnc3ccccn23)c(C)c1Cl
COCc1cc(C(=O)NC2[C@H](C)CCC[C@H]2C)no1 COC[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc(on1)[*:1]
CC[C@@H](C(=O)N(C)Cc1cccc(C)n1)/C(N)=N/O N/C(=N\O)[*:1] CC[C@@H](C(=O)N(C)Cc1cccc(C)n1)[*:1]
Cc1ccc(S[C@H](C)C(=O)Nc2cccc(C(N)=O)c2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1cccc(c1)C(N)=O
Cc1ccc(S[C@H](C)C(=O)Nc2cccc(C(N)=O)c2)cc1 NC(=O)[*:1] Cc1ccc(cc1)S[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CCC1(CNC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCC1 C1CC1[*:1] CCC1(CCC1)CNC(=O)C(=O)Nc1ccc2nc(oc2c1)[*:1]
CCC1(CNC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2nc(oc2c1)C1CC1
CCC1(CNC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCC1 CCC1(CCC1)C[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)C(=O)N[*:1]
Cc1nc(-c2cccs2)sc1C(=O)N1c2ccccc2C[C@@H]1C c1csc(c1)[*:1] Cc1nc(sc1C(=O)N1c2ccccc2C[C@@H]1C)[*:1]
COc1ccc(F)cc1NC(=O)N1CCC(c2ccn[nH]2)CC1 c1cc([nH]n1)[*:1] COc1ccc(F)cc1NC(=O)N1CCC(CC1)[*:1]
CC(C)C(=O)NCCNC(=O)c1cc(Cl)ccc1-n1cnnn1 c1nnnn1[*:1] CC(C)C(=O)NCCNC(=O)c1cc(Cl)ccc1[*:1]
CC(C)C(=O)NCCNC(=O)c1cc(Cl)ccc1-n1cnnn1 CC(C)[*:1] O=C(NCCNC(=O)[*:1])c1cc(Cl)ccc1-n1cnnn1
CC(C)C(=O)NCCNC(=O)c1cc(Cl)ccc1-n1cnnn1 CC(C)C(=O)N[*:1] O=C(NCC[*:1])c1cc(Cl)ccc1-n1cnnn1
CC(C)C(=O)NCCNC(=O)c1cc(Cl)ccc1-n1cnnn1 CC(C)C(=O)NC[*:1] O=C(NC[*:1])c1cc(Cl)ccc1-n1cnnn1
CCOc1ccc([C@H](NC(=O)c2ccc(C)cc2)n2nnc3ccccc32)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N[C@H](n1nnc2ccccc21)[*:1]
CCOc1ccc([C@H](NC(=O)c2ccc(C)cc2)n2nnc3ccccc32)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H](NC(=O)[*:1])n1nnc2ccccc21
CCOc1ccc([C@H](NC(=O)c2ccc(C)cc2)n2nnc3ccccc32)cc1 c1ccc2c(c1)nnn2[*:1] CCOc1ccc(cc1)[C@H](NC(=O)c1ccc(C)cc1)[*:1]
CCOc1ccc([C@H](NC(=O)c2ccc(C)cc2)n2nnc3ccccc32)cc1 CCO[*:1] Cc1ccc(cc1)C(=O)N[C@@H](c1ccc(cc1)[*:1])n1nnc2ccccc21
O=C(/C=C/c1ccco1)Nc1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 O=C(/C=C/c1ccco1)Nc1ccc(cc1)[*:1]
O=C(/C=C/c1ccco1)Nc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)NC(=O)c1ccco1
O=C(/C=C/c1ccco1)Nc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] O=C(/C=C/c1ccco1)Nc1ccc(cc1)NC(=O)[*:1]
O=C(/C=C/c1ccco1)Nc1ccc(NC(=O)c2ccco2)cc1 C(=C[*:1])c1ccco1 O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccco1
CCOC(=O)[C@@](C)(O)[C@H]1CCO[C@H](C(C)C)C1 CCOC(=O)[*:1] CC(C)[C@@H]1C[C@H](CCO1)[C@@](C)(O)[*:1]
CCOC(=O)[C@@](C)(O)[C@H]1CCO[C@H](C(C)C)C1 CC(C)[*:1] CCOC(=O)[C@@](C)(O)[C@H]1CCO[C@H](C1)[*:1]
CCOc1cc(CNC(=O)/C=C/c2ccc(OC)c(F)c2)ccn1 CCO[*:1] COc1ccc(/C=C/C(=O)NCc2ccnc(c2)[*:1])cc1F
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1C[C@@H](O)C[C@H]1c1ccc(cc1)[*:1]
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 O=[N+]([O-])[*:1] O=C([C@@H]1C[C@H]1[*:1])N1C[C@@H](O)C[C@H]1c1ccc(cc1)C(F)(F)F
C[C@@H](C(=O)[O-])N1CC[C@@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 O=C([O-])[*:1] C[C@@H](N1CC[C@@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2)[*:1]
CCOC1CCN(C(=O)c2sc(-c3ccccn3)nc2C)CC1 CCO[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)[*:1])-c1ccccn1
CCOC1CCN(C(=O)c2sc(-c3ccccn3)nc2C)CC1 c1ccc(nc1)[*:1] CCOC1CCN(CC1)C(=O)c1sc(nc1C)[*:1]
Cc1cc(CCCC(=O)N2CCC[C@@H]2c2nnc3n2CC[NH2+]C3)ccc1F Cc1cc(ccc1F)C[*:1] O=C(CC[*:1])N1CCC[C@@H]1c1nnc2C[NH2+]CCn21
Cc1cc(CCCC(=O)N2CCC[C@@H]2c2nnc3n2CC[NH2+]C3)ccc1F Cc1cc(ccc1F)[*:1] O=C(CCC[*:1])N1CCC[C@@H]1c1nnc2C[NH2+]CCn21
CCCCNC(=O)NC(=O)CN1CCOC[C@@H]1C1CC1 C1CC1[*:1] CCCCNC(=O)NC(=O)CN1CCOC[C@H]1[*:1]
CCCCNC(=O)NC(=O)CN1CCOC[C@@H]1C1CC1 CCC[*:1] O=C(CN1CCOC[C@@H]1C1CC1)NC(=O)NC[*:1]
CCCCNC(=O)NC(=O)CN1CCOC[C@@H]1C1CC1 CCCC[*:1] O=C(CN1CCOC[C@@H]1C1CC1)NC(=O)N[*:1]
C=CCNc1nnc(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)s1 C=CC[*:1] C[C@@H](Sc1nnc(N[*:1])s1)C(=O)N[C@H]1CCCC[C@H]1C
C=CCNc1nnc(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)s1 C=CCN[*:1] C[C@@H](Sc1nnc(s1)[*:1])C(=O)N[C@H]1CCCC[C@H]1C
C=CCNc1nnc(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)s1 C[C@@H]1CCCC[C@@H]1[*:1] C=CCNc1nnc(S[C@H](C)C(=O)N[*:1])s1
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2C(=O)c2ccco2)C1 c1coc(c1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(C)(=O)=O)c2C(=O)[*:1]
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2C(=O)c2ccco2)C1 CS(=O)(=O)c1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C(=O)c1ccco1
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2C(=O)c2ccco2)C1 O=C(c1ccco1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(C)(=O)=O)c2[*:1]
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2C(=O)c2ccco2)C1 CS(=O)(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)[*:1])c2C(=O)c1ccco1
CCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1ccc(C)cc1O2 CCN(C)S(=O)(=O)[*:1] Cc1ccc2NC(=O)c3cc(ccc3Oc2c1)[*:1]
COc1ccccc1-c1nc(Cn2c(=O)c3cnc(-c4ccncc4)nc3n(C)c2=O)c(C)o1 COc1ccccc1[*:1] Cc1oc(nc1Cn1c(=O)c2cnc(nc2n(C)c1=O)-c1ccncc1)[*:1]
COc1ccccc1-c1nc(Cn2c(=O)c3cnc(-c4ccncc4)nc3n(C)c2=O)c(C)o1 c1cc(ccn1)[*:1] COc1ccccc1-c1nc(Cn2c(=O)c3cnc(nc3n(C)c2=O)[*:1])c(C)o1
COC(=O)[C@H]1CN(C(=O)COc2ccc(C#N)cc2)c2ccccc2O1 COC(=O)[*:1] N#Cc1ccc(cc1)OCC(=O)N1C[C@@H](Oc2ccccc21)[*:1]
COC(=O)[C@H]1CN(C(=O)COc2ccc(C#N)cc2)c2ccccc2O1 N#Cc1ccc(cc1)[*:1] COC(=O)[C@H]1CN(C(=O)CO[*:1])c2ccccc2O1
CCN(CC)c1ccc(CNC(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)c[nH+]1 CCN(CC)[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)C(=O)NCc1ccc([nH+]c1)[*:1]
Cn1cnnc1CNC(=O)c1ccc2cc[nH]c2c1 Cn1cnnc1[*:1] O=C(NC[*:1])c1ccc2cc[nH]c2c1
CC[C@@H](C)[C@@H]([NH2+]C)c1cc2ccccc2o1 CC[C@@H](C)[*:1] C[NH2+][C@@H](c1cc2ccccc2o1)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C(C)C)n3nnc(-c4ccccc4)n3)n2)cc1 CC(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1])n1nnc(n1)-c1ccccc1
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C(C)C)n3nnc(-c4ccccc4)n3)n2)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)Nc1nc(cs1)[*:1])n1nnc(n1)-c1ccccc1
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C(C)C)n3nnc(-c4ccccc4)n3)n2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)[C@H](C(C)C)n1nnc(n1)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C(C)C)n3nnc(-c4ccccc4)n3)n2)cc1 c1ccc(cc1)-c1nnn(n1)[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)[C@H](C(C)C)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C(C)C)n3nnc(-c4ccccc4)n3)n2)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)[C@H](n1nnc(n1)-c1ccccc1)[*:1]
Cc1cccc(NC(=O)C(=O)NCCc2ccc(S(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)NC(=O)C(=O)NCCc1ccc(cc1)[*:1]
Cc1cccc(NC(=O)C(=O)NCCc2ccc(S(C)(=O)=O)cc2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)c1ccc(cc1)CCNC(=O)C(=O)N[*:1]
CC(=O)c1cccc(S(=O)(=O)NC[C@@H]2COC3(CCCCC3)O2)c1 CC(=O)[*:1] O=S(=O)(NC[C@@H]1COC2(CCCCC2)O1)c1cccc(c1)[*:1]
C[C@H](CN(C)C(=O)CCc1nc2ccccc2o1)C(=O)[O-] O=C([O-])[*:1] C[C@H](CN(C)C(=O)CCc1nc2ccccc2o1)[*:1]
CCCn1nnnc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O CCCn1nnnc1[*:1] O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[*:1]
CCCn1nnnc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O CCC[*:1] O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1nnnn1[*:1]
CNC(=O)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 CNC(=O)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)N(C)Cc1ccc(cc1)[*:1]
CNC(=O)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 CNC(=O)c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)N(C)C[*:1]
CCN[C@@H](Cc1nc(C)cs1)C1([NH+](C)C)CCCCC1 Cc1csc(n1)[*:1] CCN[C@@H](C[*:1])C1(CCCCC1)[NH+](C)C
CCN[C@@H](Cc1nc(C)cs1)C1([NH+](C)C)CCCCC1 CCN[*:1] Cc1csc(C[C@@H](C2(CCCCC2)[NH+](C)C)[*:1])n1
C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCc2n[nH]cc2C1 FC(F)O[*:1] C[C@@H](CCc1ccc(cc1)[*:1])[NH2+][C@@H]1CCc2n[nH]cc2C1
C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCc2n[nH]cc2C1 FC(F)[*:1] C[C@@H](CCc1ccc(cc1)O[*:1])[NH2+][C@@H]1CCc2n[nH]cc2C1
CCNC(=O)c1ccc(C)c(NC(=O)N2C[C@@H](O)C[C@H]2C2CCCCC2)c1 C1CCC(CC1)[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)N1C[C@@H](O)C[C@@H]1[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)N2C[C@@H](O)C[C@H]2C2CCCCC2)c1 CCNC(=O)[*:1] Cc1ccc(cc1NC(=O)N1C[C@@H](O)C[C@H]1C1CCCCC1)[*:1]
CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])o2)NC(=O)N[C@]1(O)C(F)(F)F FC(F)(F)[*:1] CC(=O)[C@H]1[C@@H](NC(=O)N[C@@]1(O)[*:1])c1ccc(o1)[N+](=O)[O-]
CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])o2)NC(=O)N[C@]1(O)C(F)(F)F O=[N+]([O-])[*:1] CC(=O)[C@H]1[C@@H](NC(=O)N[C@]1(O)C(F)(F)F)c1ccc(o1)[*:1]
CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])o2)NC(=O)N[C@]1(O)C(F)(F)F CC(=O)[*:1] O=C1N[C@@H](c2ccc(o2)[N+](=O)[O-])[C@@H]([C@](O)(N1)C(F)(F)F)[*:1]
Cn1cnc(S(=O)(=O)N[C@H]2CCCOc3c2ccc2ccccc32)c1 Cn1cnc(c1)[*:1] O=S(=O)(N[C@H]1CCCOc2c1ccc1ccccc21)[*:1]
CN(Cc1nccs1)C(=O)C(C)(C)Cc1cccc(Cl)c1 c1csc(n1)[*:1] CN(C[*:1])C(=O)C(C)(C)Cc1cccc(Cl)c1
CN(Cc1nccs1)C(=O)C(C)(C)Cc1cccc(Cl)c1 c1csc(C[*:1])n1 CN(C(=O)C(C)(C)Cc1cccc(Cl)c1)[*:1]
CN(Cc1nccs1)C(=O)C(C)(C)Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN(Cc1nccs1)C(=O)C(C)(C)C[*:1]
N#C[C@]1(NC2CC2)CCC[C@H](SCc2ccccc2)C1 c1ccc(cc1)[*:1] N#C[C@@]1(CCC[C@@H](C1)SC[*:1])NC1CC1
N#C[C@]1(NC2CC2)CCC[C@H](SCc2ccccc2)C1 C1CC1[*:1] N#C[C@@]1(CCC[C@@H](C1)SCc1ccccc1)N[*:1]
N#C[C@]1(NC2CC2)CCC[C@H](SCc2ccccc2)C1 C1CC1N[*:1] N#C[C@@]1(CCC[C@@H](C1)SCc1ccccc1)[*:1]
Cc1ccc2c(c1)S(=O)(=O)NC1(CC[NH+](Cc3ccccc3OC(F)F)CC1)N2 FC(F)O[*:1] Cc1ccc2NC3(CC[NH+](CC3)Cc3ccccc3[*:1])NS(=O)(=O)c2c1
Cc1ccc2c(c1)S(=O)(=O)NC1(CC[NH+](Cc3ccccc3OC(F)F)CC1)N2 FC(F)[*:1] Cc1ccc2NC3(CC[NH+](CC3)Cc3ccccc3O[*:1])NS(=O)(=O)c2c1
COc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 COc1ccc(cc1)[*:1] CN(C)N1C(N)=C(C#N)[C@@H](C2C(=O)C[C@@H](CC=21)c1ccccc1)[*:1]
COc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C(C#N)=C(N)N(C2C[C@@H](CC(=O)C=21)[*:1])N(C)C
Cc1cc[nH+]c(N(C)C[C@H]2CCCN2C(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cc[nH+]c(c1)N(C)C[C@H]1CCCN1C(=O)O[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 CC(=O)N[*:1] Cc1cc(C)cc(c1)N([C@H](C)C(=O)Nc1ccc(cc1)[*:1])S(C)(=O)=O
CC(=O)Nc1ccc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 Cc1cc(C)cc(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@@H](C)N(S(C)(=O)=O)[*:1]
CCN(CC)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 C1CC1[*:1] CCN(CC)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
COc1cccc(C(=O)O[C@H](C)C(=O)NC(=O)Nc2ccccc2)c1O c1ccc(cc1)[*:1] COc1cccc(C(=O)O[C@H](C)C(=O)NC(=O)N[*:1])c1O
CC[C@@H]1CCC[C@]2(CC[NH2+]C[C@@H]2CC(C)C)C1 CC(C)[*:1] CC[C@@H]1CCC[C@]2(CC[NH2+]C[C@@H]2C[*:1])C1
CC[C@@H]1CCC[C@]2(CC[NH2+]C[C@@H]2CC(C)C)C1 CC(C)C[*:1] CC[C@@H]1CCC[C@]2(CC[NH2+]C[C@H]2[*:1])C1
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)C(=O)N2 CC[C@H](C)[*:1] C[C@H]1C(=O)Nc2ccc(cc2NC1=O)S(=O)(=O)N[*:1]
Cc1[nH+]ccn1[C@@H](C)[C@H](C)C[NH2+]C(C)C CC(C)[*:1] Cc1[nH+]ccn1[C@@H](C)[C@H](C)C[NH2+][*:1]
Cc1[nH+]ccn1[C@@H](C)[C@H](C)C[NH2+]C(C)C CC(C)[NH2+][*:1] Cc1[nH+]ccn1[C@@H](C)[C@H](C)C[*:1]
Cc1[nH+]ccn1[C@@H](C)[C@H](C)C[NH2+]C(C)C CC(C)[NH2+]C[*:1] Cc1[nH+]ccn1[C@@H](C)[C@H](C)[*:1]
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2ccco2)on1 c1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1cc(on1)-c1ccco1
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2ccco2)on1 c1coc(c1)[*:1] O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(on1)[*:1]
Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c2ncccc2c1 O=[N+]([O-])[*:1] Cc1cc(NC(=O)Cc2ccccc2[*:1])c2ncccc2c1
Cc1ccc(NC(=O)c2cc3c(=O)c4ccccc4oc3o2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])c1cc2c(=O)c3ccccc3oc2o1
O=C(NCCc1ccccc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 c1ccc(cc1)C[*:1] O=C(NC[*:1])Nc1cccc(c1)C(=O)Nc1cccc(F)c1
O=C(NCCc1ccccc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 c1ccc(cc1)CC[*:1] O=C(Nc1cccc(c1)C(=O)Nc1cccc(F)c1)N[*:1]
O=C(NCCc1ccccc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] O=C(NCCc1ccccc1)Nc1cccc(c1)C(=O)N[*:1]
O=C(NCCc1ccccc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 c1ccc(cc1)[*:1] O=C(NCC[*:1])Nc1cccc(c1)C(=O)Nc1cccc(F)c1
CC(C)[C@H](C)[NH2+]CC(=O)NCC(F)(F)F FC(F)(F)[*:1] CC(C)[C@H](C)[NH2+]CC(=O)NC[*:1]
CC(C)[C@H](C)[NH2+]CC(=O)NCC(F)(F)F CC(C)[C@H](C)[*:1] O=C(C[NH2+][*:1])NCC(F)(F)F
CC(C)[C@H](C)[NH2+]CC(=O)NCC(F)(F)F CC(C)[*:1] C[C@H]([NH2+]CC(=O)NCC(F)(F)F)[*:1]
CC(C)[C@H](C)[NH2+]CC(=O)NCC(F)(F)F FC(F)(F)C[*:1] CC(C)[C@H](C)[NH2+]CC(=O)N[*:1]
O=S(=O)(c1ccc(-c2ccno2)s1)N1CCc2ccccc21 c1cc(on1)[*:1] O=S(=O)(c1ccc(s1)[*:1])N1CCc2ccccc21
C#CCN(CC(=O)[O-])[C@H](C)c1ccccc1[N+](=O)[O-] O=C([O-])C[*:1] C#CCN([C@H](C)c1ccccc1[N+](=O)[O-])[*:1]
C#CCN(CC(=O)[O-])[C@H](C)c1ccccc1[N+](=O)[O-] O=C([O-])[*:1] C#CCN(C[*:1])[C@H](C)c1ccccc1[N+](=O)[O-]
C#CCN(CC(=O)[O-])[C@H](C)c1ccccc1[N+](=O)[O-] C#CC[*:1] C[C@H](c1ccccc1[N+](=O)[O-])N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])[C@H](C)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C#CCN(CC(=O)[O-])[C@H](C)c1ccccc1[*:1]
O=C1CC[C@@H](Cn2c(CCCl)nc3cccnc32)N1 ClCC[*:1] O=C1CC[C@@H](Cn2c(nc3cccnc32)[*:1])N1
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Br)cc1O CC[C@@H](C)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)c1ccc(Br)cc1O
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Br)cc1O CC[C@@H](C)NC(=O)[*:1] O=C(c1ccc(Br)cc1O)N1CSC[C@@H]1[*:1]
COc1ccc(CN(C)C(=O)CS[C@@H](C)[C@@H](C)O)cc1F C[C@@H](O)[*:1] COc1ccc(cc1F)CN(C)C(=O)CS[C@@H](C)[*:1]
C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)[*:1]
C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(O)cc1 Clc1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)c1ccc(O)cc1
Cc1c(C[C@@H](C)O)c(=O)oc2cc(OCC(=O)[O-])ccc12 C[C@@H](O)C[*:1] Cc1c(c(=O)oc2cc(ccc12)OCC(=O)[O-])[*:1]
Cc1c(C[C@@H](C)O)c(=O)oc2cc(OCC(=O)[O-])ccc12 O=C([O-])CO[*:1] Cc1c(C[C@@H](C)O)c(=O)oc2cc(ccc12)[*:1]
Cc1c(C[C@@H](C)O)c(=O)oc2cc(OCC(=O)[O-])ccc12 C[C@@H](O)[*:1] Cc1c(C[*:1])c(=O)oc2cc(ccc12)OCC(=O)[O-]
Cc1c(C[C@@H](C)O)c(=O)oc2cc(OCC(=O)[O-])ccc12 O=C([O-])[*:1] Cc1c(C[C@@H](C)O)c(=O)oc2cc(ccc12)OC[*:1]
Cc1c(C[C@@H](C)O)c(=O)oc2cc(OCC(=O)[O-])ccc12 O=C([O-])C[*:1] Cc1c(C[C@@H](C)O)c(=O)oc2cc(ccc12)O[*:1]
NC(=O)c1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1Cl NC(=O)[*:1] O=C(CCc1ccc(F)c(F)c1)Nc1ccc(c(Cl)c1)[*:1]
COc1ccc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])NC(=O)C[C@H]1Oc2ccccc2NC1=O
COc1ccc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])NC(=O)C[C@H]1Oc2ccccc2NC1=O
O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1nc(cs1)[*:1])Nc1ccccc1
O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1nc(cs1)-c1ccccc1)N[*:1]
COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)cc(Cl)c1OC CC(C)(C)[*:1] COc1cc(/C=C(\C#N)C(=O)[*:1])cc(Cl)c1OC
COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)cc(Cl)c1OC CC(C)(C)C(=O)[*:1] COc1cc(C=C(C#N)[*:1])cc(Cl)c1OC
CCc1sc(C(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)cc1C NS(=O)(=O)[*:1] CCc1sc(cc1C)C(=O)NCCc1ccc(OC)c(c1)[*:1]
CCc1sc(C(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)cc1C CCc1sc(cc1C)[*:1] COc1ccc(cc1S(N)(=O)=O)CCNC(=O)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)CCc3c(C)nc(C)[nH]c3=O)CC2)c(F)c1 Cc1nc(C)c(c(=O)[nH]1)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)CC[*:1]
CC(=O)c1ccc(N2CCN(C(=O)CCc3c(C)nc(C)[nH]c3=O)CC2)c(F)c1 CC(=O)[*:1] Cc1nc(C)c(CCC(=O)N2CCN(CC2)c2ccc(cc2F)[*:1])c(=O)[nH]1
Cc1c(Cl)cccc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 O=C(N[*:1])C1CCCC1 Cc1c(Cl)cccc1NC(=O)c1ccc(cc1)C[*:1]
Cc1c(Cl)cccc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 Cc1c(Cl)cccc1[*:1] O=C(N[*:1])c1ccc(cc1)CNC(=O)C1CCCC1
Cc1c(Cl)cccc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] Cc1c(Cl)cccc1NC(=O)c1ccc(cc1)CNC(=O)[*:1]
COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccccc3)cc2)ncn1 c1ccc(cc1)[*:1] COc1ccccc1Oc1cc(ncn1)-c1ccc(cc1)C(=O)N[*:1]
COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccccc3)cc2)ncn1 O=C(Nc1ccccc1)[*:1] COc1ccccc1Oc1cc(ncn1)-c1ccc(cc1)[*:1]
COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccccc3)cc2)ncn1 COc1ccccc1O[*:1] O=C(Nc1ccccc1)c1ccc(cc1)-c1cc(ncn1)[*:1]
COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccccc3)cc2)ncn1 COc1ccccc1[*:1] O=C(Nc1ccccc1)c1ccc(cc1)-c1cc(ncn1)O[*:1]
COc1ccc(CC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)CC(=O)N(C)Cc1cnn(c1)[*:1]
COc1ccc(CC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N(C)Cc1cnn(c1)C[*:1]
COc1ccc(CC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 COc1ccc(cc1)[*:1] CN(Cc1cnn(c1)Cc1ccccc1)C(=O)C[*:1]
COc1ccc(OCc2nnc3sc(-c4ccncc4)nn23)cc1 COc1ccc(cc1)[*:1] c1cc(ccn1)-c1nn2c(CO[*:1])nnc2s1
COc1ccc(OCc2nnc3sc(-c4ccncc4)nn23)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)OCc1nnc2sc(nn12)[*:1]
C#CCN(CC#C)C(=O)c1cc(C)cc(C)c1O C#CC[*:1] C#CCN(C(=O)c1cc(C)cc(C)c1O)[*:1]
CN1CCN(C(=O)c2nc3cccc([N+](=O)[O-])c3[n-]2)CC1 O=[N+]([O-])[*:1] CN1CCN(CC1)C(=O)c1nc2cccc(c2[n-]1)[*:1]
CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]([NH3+])C1 CC[C@H](C)[*:1] C[C@H](C[*:1])[NH2+][C@@H]1CC[C@H]([NH3+])C1
Cc1nccn1CC[NH+]1CCN(Cc2cc(F)ccc2F)CC1 Cc1nccn1C[*:1] Fc1ccc(F)c(c1)CN1CC[NH+](CC1)C[*:1]
Cc1nccn1CC[NH+]1CCN(Cc2cc(F)ccc2F)CC1 Cc1nccn1[*:1] Fc1ccc(F)c(c1)CN1CC[NH+](CC1)CC[*:1]
COC(=O)c1cc(NC(=O)NCc2ncc[nH]2)ccc1C c1c[nH]c(C[*:1])n1 COC(=O)c1cc(ccc1C)NC(=O)N[*:1]
COC(=O)c1cc(NC(=O)NCc2ncc[nH]2)ccc1C c1c[nH]c(n1)[*:1] COC(=O)c1cc(ccc1C)NC(=O)NC[*:1]
COC(=O)c1cc(NC(=O)NCc2ncc[nH]2)ccc1C COC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NCc1ncc[nH]1
COC(=O)C1(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CCC1 COC(=O)[*:1] O=C(NC1(CCC1)[*:1])[C@@]12CC[C@@H](C[C@@H]1Br)C2
CCOC[C@]1(C(C)C)CCC[NH2+]1 CCO[*:1] CC(C)[C@]1(CCC[NH2+]1)C[*:1]
CCOC[C@]1(C(C)C)CCC[NH2+]1 CC(C)[*:1] CCOC[C@@]1(CCC[NH2+]1)[*:1]
CCOC[C@]1(C(C)C)CCC[NH2+]1 CCOC[*:1] CC(C)[C@@]1(CCC[NH2+]1)[*:1]
Cc1c(C(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H](C)C(=O)N1CCc2ccccc21
O=C1CCCN1c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 O=C1CCCN1[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1cccc(F)c1
O=C1CCCN1c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] O=C1CCCN1c1ccc(cc1)NS(=O)(=O)[*:1]
C[C@H](CCC1CCCC1)NC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 C1CCC(C1)C[*:1] C[C@H](C[*:1])NC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
C[C@H](CCC1CCCC1)NC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 C1CCC(C1)[*:1] C[C@H](CC[*:1])NC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
C[C@H](CCC1CCCC1)NC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 C1CCC(C1)CC[*:1] C[C@H](NC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12)[*:1]
CCc1nc(CCNCc2cnc(-c3cccs3)s2)sc1C c1csc(c1)[*:1] CCc1nc(CCNCc2cnc(s2)[*:1])sc1C
COC(=O)c1ccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 NC(=O)[*:1] COC(=O)c1ccc(cc1)NS(=O)(=O)c1cc(n(C)c1)[*:1]
COC(=O)c1ccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 COC(=O)[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)Nc1ccc(cc1)[*:1]
Nc1c(Nc2ccc(Cl)cc2)ncnc1N1CCCCC1 Clc1ccc(cc1)[*:1] Nc1c(ncnc1N1CCCCC1)N[*:1]
Nc1c(Nc2ccc(Cl)cc2)ncnc1N1CCCCC1 C1CCN(CC1)[*:1] Nc1c(ncnc1[*:1])Nc1ccc(Cl)cc1
COCCNC(=O)CN(C)S(=O)(=O)c1cncc(F)c1 COC[*:1] CN(CC(=O)NC[*:1])S(=O)(=O)c1cncc(F)c1
COCCNC(=O)CN(C)S(=O)(=O)c1cncc(F)c1 COCC[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1cncc(F)c1
Cc1nccc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 CC(C)[*:1] Cc1nccc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(N2C(=O)N(Cc3cc4c(cc3Br)OCO4)C(=O)[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1C(=O)N(Cc2cc3OCOc3cc2Br)C(=O)N1[*:1]
O=C(C1CCCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 C1CCC(C1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)Cc1ccccc1)[*:1]
O=C(C1CCCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C1CCCC1)N1CCN(CC1)S(=O)(=O)C[*:1]
O=C(C1CCCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(C1CCCC1)N1CCN(CC1)S(=O)(=O)[*:1]
CC[C@@H](C)[C@@H](C[NH3+])c1cccc(F)c1 CC[C@@H](C)[*:1] [NH3+]C[C@@H](c1cccc(F)c1)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[*:1]
COc1ccccc1N(C(=O)c1ccc(=O)[nH]c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])[*:1] COc1ccccc1N(C(=O)c1ccc(=O)[nH]c1)c1nc(cs1)-c1ccc(cc1)[*:1]
COc1ccccc1N(C(=O)c1ccc(=O)[nH]c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccccc1N(C(=O)c1ccc(=O)[nH]c1)c1nc(cs1)[*:1]
COc1ccccc1N(C(=O)c1ccc(=O)[nH]c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 COc1ccccc1[*:1] O=C(c1ccc(=O)[nH]c1)N(c1nc(cs1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ccccc1N(C(=O)c1ccc(=O)[nH]c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=c1ccc(c[nH]1)[*:1] COc1ccccc1N(C(=O)[*:1])c1nc(cs1)-c1ccc(cc1)[N+](=O)[O-]
CCn1c(=O)/c(=C\c2ccc(C)cc2C)s/c1=C(\C#N)C(=O)C(C)C Cc1ccc(c(C)c1)[*:1] CCn1c(=O)c(=C[*:1])s/c1=C(\C#N)C(=O)C(C)C
CCn1c(=O)/c(=C\c2ccc(C)cc2C)s/c1=C(\C#N)C(=O)C(C)C CC(C)[*:1] CCn1c(=O)/c(=C\c2ccc(C)cc2C)s/c1=C(\C#N)C(=O)[*:1]
CCn1c(=O)/c(=C\c2ccc(C)cc2C)s/c1=C(\C#N)C(=O)C(C)C CC(C)C(=O)[*:1] CCn1c(=O)/c(=C\c2ccc(C)cc2C)sc1=C(C#N)[*:1]
Fc1ccc([C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C2CCC2)cc1 c1cc(co1)[*:1] Fc1ccc(cc1)[C@@H]([NH2+]Cc1noc(n1)[*:1])C1CCC1
Fc1ccc([C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C2CCC2)cc1 Fc1ccc(cc1)[*:1] c1cc(co1)-c1nc(C[NH2+][C@@H](C2CCC2)[*:1])no1
Fc1ccc([C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C2CCC2)cc1 C1CC(C1)[*:1] Fc1ccc(cc1)[C@@H]([NH2+]Cc1noc(n1)-c1ccoc1)[*:1]
COc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3)n2)cc1OC Cc1cccc(c1)OC[*:1] COc1ccc(cc1OC)-c1nsc(n1)NC(=O)[*:1]
COc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3)n2)cc1OC Cc1cccc(c1)[*:1] COc1ccc(cc1OC)-c1nsc(n1)NC(=O)CO[*:1]
COc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3)n2)cc1OC Cc1cccc(c1)O[*:1] COc1ccc(cc1OC)-c1nsc(n1)NC(=O)C[*:1]
CCCC(CCC)C(=O)N1CCC[C@H](C(=O)[O-])C1 CCC[*:1] CCCC(C(=O)N1CCC[C@@H](C1)C(=O)[O-])[*:1]
CCCC(CCC)C(=O)N1CCC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CCCC(CCC)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3oc3ccccc34)C2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ncnc2c1oc1ccccc12
Cc1nn(CCC#N)c(C)c1C[NH3+] N#CCC[*:1] Cc1nn(c(C)c1C[NH3+])[*:1]
Cc1nn(CCC#N)c(C)c1C[NH3+] N#CC[*:1] Cc1nn(C[*:1])c(C)c1C[NH3+]
O=C1c2ccccc2N[C@H](c2ccco2)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C1c2ccccc2N[C@H](c2ccco2)N1C[*:1]
O=C1c2ccccc2N[C@H](c2ccco2)N1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C1c2ccccc2N[C@H](c2ccco2)N1[*:1]
O=C1c2ccccc2N[C@H](c2ccco2)N1C[C@H]1CCCO1 c1coc(c1)[*:1] O=C1c2ccccc2N[C@H](N1C[C@H]1CCCO1)[*:1]
O=C(Nc1ccc(Cl)cc1)N1CCC(Oc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)N1CCC(CC1)O[*:1]
O=C(Nc1ccc(Cl)cc1)N1CCC(Oc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(Cl)cc1)N1CCC(CC1)[*:1]
O=C(Nc1ccc(Cl)cc1)N1CCC(Oc2ccccc2)CC1 Clc1ccc(cc1)[*:1] O=C(N[*:1])N1CCC(CC1)Oc1ccccc1
Cc1oc(C)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C Cc1oc(C)c(c1C)[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCC1)[*:1]
Cc1ccc(-n2nnc(C(=O)Nc3nc4c(C)cc(C)cc4s3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c2nc(NC(=O)c3nnn(c3C)[*:1])sc2c1
O=C(C1CCCC1)N1CCN(CCn2c(=O)oc3ccccc32)CC1 C1CCC(C1)[*:1] O=C(N1CCN(CC1)CCn1c(=O)oc2ccccc21)[*:1]
Cc1c(Cl)cnn1C[C@@H](CS)C(C)(C)C CC(C)(C)[*:1] Cc1c(Cl)cnn1C[C@@H](CS)[*:1]
CC(=O)Nc1ccc(NC(=O)CNc2ccc3ccccc3c2)cc1 CC(=O)N[*:1] O=C(CNc1ccc2ccccc2c1)Nc1ccc(cc1)[*:1]
COc1ccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)cc2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1ccc(cc1)-n1c(=O)c2cccnc2n1CC(=O)N[*:1]
COc1ccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)cc2)cc1Cl Cc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1c2ncccc2c(=O)n1[*:1]
CCC[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCO1 CCC[*:1] O=C(c1cccc(c1)-n1cnnn1)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)CCO1 c1nnnn1[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 CC(=O)c1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
C=C(C)COc1ccccc1NC(=O)COc1cc(C)ccc1C C=C(C)C[*:1] Cc1ccc(C)c(c1)OCC(=O)Nc1ccccc1O[*:1]
C=C(C)COc1ccccc1NC(=O)COc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] C=C(C)COc1ccccc1NC(=O)CO[*:1]
C=C(C)COc1ccccc1NC(=O)COc1cc(C)ccc1C C=C(C)CO[*:1] Cc1ccc(C)c(c1)OCC(=O)Nc1ccccc1[*:1]
C=C(C)COc1ccccc1NC(=O)COc1cc(C)ccc1C C=C(C)[*:1] Cc1ccc(C)c(c1)OCC(=O)Nc1ccccc1OC[*:1]
O=C(NCCc1cc(F)cc(F)c1)C1(c2ccccc2)CCOCC1 Fc1cc(F)cc(c1)[*:1] O=C(NCC[*:1])C1(CCOCC1)c1ccccc1
O=C(NCCc1cc(F)cc(F)c1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(NCCc1cc(F)cc(F)c1)C1(CCOCC1)[*:1]
C[C@](O)(CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNC(=O)Nc1cnn(c1)C[C@@H]1CCCO1)[*:1]
C[C@](O)(CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccccc1 C1CO[C@@H](C1)C[*:1] C[C@](O)(CNC(=O)Nc1cnn(c1)[*:1])c1ccccc1
C[C@](O)(CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccccc1 C1CO[C@@H](C1)[*:1] C[C@](O)(CNC(=O)Nc1cnn(c1)C[*:1])c1ccccc1
O=C(CSc1nc(-c2ccco2)n[nH]1)N[C@@H]1SC2=C(CCCC2)[C@H]1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(CSc1nc(n[nH]1)-c1ccco1)N[C@@H]1SC2CCCCC=2[C@@H]1[*:1]
O=C(CSc1nc(-c2ccco2)n[nH]1)N[C@@H]1SC2=C(CCCC2)[C@H]1C(=O)Nc1ccccc1 c1coc(c1)-c1n[nH]c(n1)[*:1] O=C(CS[*:1])N[C@@H]1SC2CCCCC=2[C@H]1C(=O)Nc1ccccc1
O=C(CSc1nc(-c2ccco2)n[nH]1)N[C@@H]1SC2=C(CCCC2)[C@H]1C(=O)Nc1ccccc1 c1coc(c1)[*:1] O=C(CSc1nc(n[nH]1)[*:1])N[C@@H]1SC2CCCCC=2[C@H]1C(=O)Nc1ccccc1
O=C(CSc1nc(-c2ccco2)n[nH]1)N[C@@H]1SC2=C(CCCC2)[C@H]1C(=O)Nc1ccccc1 c1coc(c1)-c1n[nH]c(n1)S[*:1] O=C(C[*:1])N[C@@H]1SC2CCCCC=2[C@H]1C(=O)Nc1ccccc1
O=C(CSc1nc(-c2ccco2)n[nH]1)N[C@@H]1SC2=C(CCCC2)[C@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc(n[nH]1)-c1ccco1)N[C@@H]1SC2CCCCC=2[C@H]1C(=O)N[*:1]
CC(=O)N1CCC(CCC(=O)NC2CCC(c3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CCC(=O)NC2CCC(CC2)[*:1])CC1
O=C(Nc1cccnc1)c1cc(-c2ccccc2)nc2ccccc12 c1cncc(c1)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccccc1
O=C(Nc1cccnc1)c1cc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] O=C(Nc1cccnc1)c1cc(nc2ccccc12)[*:1]
C=CCSC1=C(C#N)[C@H](c2ccc(C)cc2)[C@@H](C(=O)OC)C([O-])=N1 C=CC[*:1] COC(=O)[C@H]1C([O-])=NC(S[*:1])=C(C#N)[C@@H]1c1ccc(C)cc1
C=CCSC1=C(C#N)[C@H](c2ccc(C)cc2)[C@@H](C(=O)OC)C([O-])=N1 Cc1ccc(cc1)[*:1] C=CCSC1N=C([O-])[C@H](C(=O)OC)[C@@H](C=1C#N)[*:1]
C=CCSC1=C(C#N)[C@H](c2ccc(C)cc2)[C@@H](C(=O)OC)C([O-])=N1 COC(=O)[*:1] C=CCSC1N=C([O-])[C@H]([C@H](C=1C#N)c1ccc(C)cc1)[*:1]
C=CCSC1=C(C#N)[C@H](c2ccc(C)cc2)[C@@H](C(=O)OC)C([O-])=N1 C=CCS[*:1] COC(=O)[C@H]1C([O-])=NC(=C(C#N)[C@@H]1c1ccc(C)cc1)[*:1]
O=C([O-])c1cnn2c(C(F)(F)F)ccnc12 O=C([O-])[*:1] FC(F)(F)c1ccnc2c(cnn12)[*:1]
O=C([O-])c1cnn2c(C(F)(F)F)ccnc12 FC(F)(F)[*:1] O=C([O-])c1cnn2c(ccnc12)[*:1]
O=C1CC[C@H]2C[NH2+]CC[C@@H]2N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1CC[C@H]2C[NH2+]CC[C@@H]2N1C[*:1]
CCOC(=O)c1oc2ccccc2c1CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 CCOC(=O)[*:1] O=S(=O)(c1cccc2nsnc12)N1CCN(CC1)Cc1c(oc2ccccc12)[*:1]
CCOC(=O)c1oc2ccccc2c1CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 c1cc(c2nsnc2c1)[*:1] CCOC(=O)c1oc2ccccc2c1CN1CCN(CC1)S(=O)(=O)[*:1]
N#Cc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] N#Cc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
N#Cc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 N#Cc1ccccc1[*:1] O=C(CO[*:1])NNC(=O)N[C@H]1CCC[C@H](C1)C(F)(F)F
N#Cc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 N#Cc1ccccc1O[*:1] O=C(C[*:1])NNC(=O)N[C@H]1CCC[C@H](C1)C(F)(F)F
CCOc1ccc(NC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c(C)c1 CCO[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)Nc1ccc(cc1C)[*:1]
CCN(C)[C@@H](C(=O)NCC1CCN(CC#N)CC1)c1ccccc1 N#CC[*:1] CCN(C)[C@@H](C(=O)NCC1CCN(CC1)[*:1])c1ccccc1
CCN(C)[C@@H](C(=O)NCC1CCN(CC#N)CC1)c1ccccc1 CCN(C)[*:1] N#CCN1CCC(CC1)CNC(=O)[C@@H](c1ccccc1)[*:1]
CCN(C)[C@@H](C(=O)NCC1CCN(CC#N)CC1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C)[C@@H](C(=O)NCC1CCN(CC#N)CC1)[*:1]
CCCn1nc(C)c(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1C CCC[*:1] Cc1nn(c(C)c1CN1CCN(CC1)C(=O)c1ccc(Cl)cc1F)[*:1]
CCCn1nc(C)c(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1C Fc1cc(Cl)ccc1[*:1] CCCn1nc(C)c(CN2CCN(CC2)C(=O)[*:1])c1C
Cn1c(-c2ccccn2)nn(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c1=O Fc1cccc(c1)[*:1] Cn1c(nn(CCNC(=O)[C@@H]2CC(=O)N(C2)[*:1])c1=O)-c1ccccn1
Cn1c(-c2ccccn2)nn(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c1=O c1ccc(nc1)[*:1] Cn1c(nn(CCNC(=O)[C@@H]2CC(=O)N(C2)c2cccc(F)c2)c1=O)[*:1]
CCOc1ncccc1C(=O)/N=c1\[nH]nc2cc(C)ccn12 CCO[*:1] Cc1ccn2/c(=N/C(=O)c3cccnc3[*:1])[nH]nc2c1
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(OC(F)F)c1 FC(F)O[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(c1)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(OC(F)F)c1 FC(F)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(c1)O[*:1]
Cc1cccc(O[C@H](C)C(=O)Cl)c1 O=C(Cl)[*:1] Cc1cccc(c1)O[C@H](C)[*:1]
C[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 C[C@H](c1ccncc1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)NC(=O)N[*:1]
C[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)N[C@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
C[C@H](NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 CC(C)(C)[*:1] C[C@H](NC(=O)N[C@H]1CCN(C1)C(=O)O[*:1])c1ccncc1
O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)N1CCc2ccccc2C1 Clc1cccc(c1)[*:1] O=C(CNC(=O)N1CCN(CC1)[*:1])N1CCc2ccccc2C1
COc1cc(Cl)ccc1CNCc1cnc(-c2cccnc2)s1 c1cncc(c1)[*:1] COc1cc(Cl)ccc1CNCc1cnc(s1)[*:1]
CCN(C(=O)[C@@H](C)Nc1cccc(N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)[C@@H](C)Nc1cccc(c1)N1CCCCC1)[*:1]
CCN(C(=O)[C@@H](C)Nc1cccc(N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 C1CCN(CC1)[*:1] CCN(C(=O)[C@@H](C)Nc1cccc(c1)[*:1])[C@H]1CCS(=O)(=O)C1
O=C(NNC(=S)NC1CCCCC1)[C@H]1COc2ccccc2C1 C1CCC(CC1)[*:1] O=C(NNC(=S)N[*:1])[C@H]1COc2ccccc2C1
O=C(CSc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)NC2CC2)c1 O=S(=O)(NC1CC1)[*:1] O=C(CSc1nc2ccccc2s1)Nc1cccc(c1)[*:1]
O=C(CSc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)NC2CC2)c1 c1ccc2sc(nc2c1)[*:1] O=C(CS[*:1])Nc1cccc(c1)S(=O)(=O)NC1CC1
O=C(CSc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)NC2CC2)c1 C1CC1[*:1] O=C(CSc1nc2ccccc2s1)Nc1cccc(c1)S(=O)(=O)N[*:1]
CC(C)(C)C1(C)O[C@@H](C(=O)NC2CCCCC2)[C@H](C(=O)NC2CCCCC2)O1 CC(C)(C)[*:1] CC1(O[C@@H](C(=O)NC2CCCCC2)[C@@H](O1)C(=O)NC1CCCCC1)[*:1]
CC(C)(C)C1(C)O[C@@H](C(=O)NC2CCCCC2)[C@H](C(=O)NC2CCCCC2)O1 O=C(NC1CCCCC1)[*:1] CC(C)(C)C1(C)O[C@@H](C(=O)NC2CCCCC2)[C@H](O1)[*:1]
CC(C)(C)C1(C)O[C@@H](C(=O)NC2CCCCC2)[C@H](C(=O)NC2CCCCC2)O1 C1CCC(CC1)[*:1] CC(C)(C)C1(C)O[C@@H](C(=O)NC2CCCCC2)[C@@H](O1)C(=O)N[*:1]
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1OC Cc1ccc(cc1)C(=O)N[*:1] COc1ccc(/C=N/NC(=O)c2ccc(cc2)[*:1])cc1OC
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(/C=N/NC(=O)c2ccc(cc2)NC(=O)[*:1])cc1OC
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NN=C[*:1]
C[C@H]1CCN(C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)C[C@H]1O FC(F)(F)C[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1ccc(cc1)NC(=O)O[*:1]
C[C@H]1CCN(C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)C[C@H]1O FC(F)(F)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1ccc(cc1)NC(=O)OC[*:1]
Cn1nccc1C(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 C1CC(C1)C[*:1] Cn1nccc1C(=O)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
Cn1nccc1C(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 Cn1nccc1[*:1] O=C1N(CCC[C@@]12CCN(C2)C(=O)[*:1])CC1CCC1
Cn1nccc1C(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 C1CC(C1)[*:1] Cn1nccc1C(=O)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
O=C(c1ccc(Cn2c(=O)c(=O)n(Cc3cccc(Cl)c3)c3cccnc32)cc1)N1CCOCC1 Clc1cccc(c1)C[*:1] O=C(c1ccc(cc1)Cn1c(=O)c(=O)n(c2cccnc21)[*:1])N1CCOCC1
O=C(c1ccc(Cn2c(=O)c(=O)n(Cc3cccc(Cl)c3)c3cccnc32)cc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=c1c(=O)n(Cc2ccc(cc2)[*:1])c2ncccc2n1Cc1cccc(Cl)c1
O=C(c1ccc(Cn2c(=O)c(=O)n(Cc3cccc(Cl)c3)c3cccnc32)cc1)N1CCOCC1 Clc1cccc(c1)[*:1] O=C(c1ccc(cc1)Cn1c(=O)c(=O)n(C[*:1])c2cccnc21)N1CCOCC1
Cc1ncccc1C(=O)NC1CC[NH+](CC(N)=S)CC1 NC(=S)[*:1] Cc1ncccc1C(=O)NC1CC[NH+](CC1)C[*:1]
COc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)c1ccc(o1)S(=O)(=O)[*:1]
COc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(o1)S(=O)(=O)c1ccccc1
CC(C)C[C@@H](C[NH3+])c1nc2cc3c(cc2[nH]1)OCCCO3 CC(C)C[*:1] [NH3+]C[C@@H](c1nc2cc3OCCCOc3cc2[nH]1)[*:1]
CC(C)C[C@@H](C[NH3+])c1nc2cc3c(cc2[nH]1)OCCCO3 CC(C)[*:1] [NH3+]C[C@H](C[*:1])c1nc2cc3OCCCOc3cc2[nH]1
CC(=O)Nc1ccc(C)cc1NCC(=O)NCc1cccs1 c1csc(c1)[*:1] CC(=O)Nc1ccc(C)cc1NCC(=O)NC[*:1]
CC(=O)Nc1ccc(C)cc1NCC(=O)NCc1cccs1 c1csc(c1)C[*:1] CC(=O)Nc1ccc(C)cc1NCC(=O)N[*:1]
CC(=O)Nc1ccc(C)cc1NCC(=O)NCc1cccs1 CC(=O)N[*:1] Cc1ccc(c(c1)NCC(=O)NCc1cccs1)[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 C[C@@H]1CN(CCO1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCc1ccc([nH+]c1)[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)c1ccc(o1)S(=O)(=O)[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1ccc(o1)S(=O)(=O)c1ccc(Cl)cc1
C[C@@H]1CCCN(S(=O)(=O)NCc2ccc(C(N)=O)o2)C1 NC(=O)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)NCc1ccc(o1)[*:1]
C[C@H]1CCCN(C(=O)c2cn(Cc3ccccn3)cc(C(=O)NC3CCCCCCC3)c2=O)C1 C1CCCC(CCC1)[*:1] C[C@H]1CCCN(C1)C(=O)c1cn(cc(C(=O)N[*:1])c1=O)Cc1ccccn1
C[C@H]1CCCN(C(=O)c2cn(Cc3ccccn3)cc(C(=O)NC3CCCCCCC3)c2=O)C1 c1ccc(C[*:1])nc1 C[C@H]1CCCN(C1)C(=O)c1cn(cc(C(=O)NC2CCCCCCC2)c1=O)[*:1]
C[C@H]1CCCN(C(=O)c2cn(Cc3ccccn3)cc(C(=O)NC3CCCCCCC3)c2=O)C1 c1ccc(nc1)[*:1] C[C@H]1CCCN(C1)C(=O)c1cn(cc(C(=O)NC2CCCCCCC2)c1=O)C[*:1]
C[C@H]1CCCN(C(=O)c2cn(Cc3ccccn3)cc(C(=O)NC3CCCCCCC3)c2=O)C1 O=C(NC1CCCCCCC1)[*:1] C[C@H]1CCCN(C1)C(=O)c1cn(cc(c1=O)[*:1])Cc1ccccn1
CC[C@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(cc1)[*:1]
CC[C@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 CC[C@H](C)[*:1] O=C1NCCN(C(=O)[*:1])[C@H]1c1ccc(cc1)C(F)(F)F
CCCSc1n[nH]c(=O)nc1Nc1ccccc1OC(C)C CCC[*:1] CC(C)Oc1ccccc1Nc1nc(=O)[nH]nc1S[*:1]
CCCSc1n[nH]c(=O)nc1Nc1ccccc1OC(C)C CC(C)[*:1] CCCSc1n[nH]c(=O)nc1Nc1ccccc1O[*:1]
CCCSc1n[nH]c(=O)nc1Nc1ccccc1OC(C)C CC(C)O[*:1] CCCSc1n[nH]c(=O)nc1Nc1ccccc1[*:1]
CCCSc1n[nH]c(=O)nc1Nc1ccccc1OC(C)C CCCS[*:1] CC(C)Oc1ccccc1Nc1nc(=O)[nH]nc1[*:1]
C/[NH+]=C(\NCc1cc[nH+]c(N2CCCC2)c1)NCc1ccnn1C C1CCN(C1)[*:1] C/[NH+]=C(\NCc1cc[nH+]c(c1)[*:1])NCc1ccnn1C
C/[NH+]=C(\NCc1cc[nH+]c(N2CCCC2)c1)NCc1ccnn1C Cn1nccc1[*:1] C/[NH+]=C(\NCc1cc[nH+]c(c1)N1CCCC1)NC[*:1]
C/[NH+]=C(\NCc1cc[nH+]c(N2CCCC2)c1)NCc1ccnn1C Cn1nccc1C[*:1] C/[NH+]=C(\NCc1cc[nH+]c(c1)N1CCCC1)N[*:1]
Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1C Cc1ccc(cc1C)[*:1] O=C(COC(=O)CNC(=O)[*:1])Nc1ccc(Cl)cc1F
Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1C Fc1cc(Cl)ccc1[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)OCC(=O)N[*:1]
Cc1cc(NC(=S)NC(=O)c2ccco2)cc(-c2nc3ccccc3s2)c1O c1coc(c1)[*:1] Cc1cc(cc(-c2nc3ccccc3s2)c1O)NC(=S)NC(=O)[*:1]
Cc1cc(NC(=S)NC(=O)c2ccco2)cc(-c2nc3ccccc3s2)c1O c1ccc2sc(nc2c1)[*:1] Cc1cc(cc(c1O)[*:1])NC(=S)NC(=O)c1ccco1
CSCC[C@@H](NCc1cccc(Cl)c1)c1nnc2ccccn12 CSC[*:1] Clc1cccc(c1)CN[C@H](C[*:1])c1nnc2ccccn12
CSCC[C@@H](NCc1cccc(Cl)c1)c1nnc2ccccn12 CSCC[*:1] Clc1cccc(c1)CN[C@@H](c1nnc2ccccn12)[*:1]
CSCC[C@@H](NCc1cccc(Cl)c1)c1nnc2ccccn12 Clc1cccc(c1)[*:1] CSCC[C@@H](NC[*:1])c1nnc2ccccn12
O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)CO[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(c1)[*:1]
O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(OC[C@H]2CCCO2)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(N[*:1])c1cccc(c1)OC[C@H]1CCCO1
Cc1ncccc1C(=O)N1CC[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] Cc1ncccc1C(=O)N1CC[C@@H](C1)[*:1]
CC(=O)c1ccc(-c2ccc(/C=N/[NH+]=C3/CCCCCN3)o2)cc1 CC(=O)[*:1] C(=N/[NH+]=C1/CCCCCN1)\c1ccc(o1)-c1ccc(cc1)[*:1]
C[C@@H]1CCC[C@@H](Nc2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])[C@@H]1C O=[N+]([O-])[*:1] C[C@@H]1CCC[C@@H](Nc2c(nn(-c3cccc(Cl)c3)[n+]2[O-])[*:1])[C@@H]1C
C[C@@H]1CCC[C@@H](Nc2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])[C@@H]1C Clc1cccc(c1)[*:1] C[C@@H]1CCC[C@@H](Nc2c(nn([n+]2[O-])[*:1])[N+](=O)[O-])[C@@H]1C
CCc1onc(C)c1NC(=O)NCc1csc(C(C)(C)C)n1 CC(C)(C)[*:1] CCc1onc(C)c1NC(=O)NCc1csc(n1)[*:1]
C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(cc1)[*:1]
CCCCNC(=O)[C@H](C)Sc1ncnc2sc(C)cc12 CCCC[*:1] Cc1cc2c(ncnc2s1)S[C@@H](C)C(=O)N[*:1]
CCCCNC(=O)[C@H](C)Sc1ncnc2sc(C)cc12 CCC[*:1] Cc1cc2c(ncnc2s1)S[C@@H](C)C(=O)NC[*:1]
COc1ccc([C@H](C)CC[NH2+][C@H](C)c2ccc(F)cn2)cc1 Fc1ccc(nc1)[*:1] COc1ccc(cc1)[C@H](C)CC[NH2+][C@H](C)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 CCC[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)c1cc(F)cc(F)c1)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 Fc1cc(F)cc(c1)[*:1] CCC[C@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 CCC[C@H](C)NC(=O)[*:1] O=C(c1cc(F)cc(F)c1)N1CCC[C@H](C1)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 CCC[C@H](C)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1cc(F)cc(F)c1
Cc1ccc([C@@H](C)NC(=O)c2cn[nH]c2)cc1F c1n[nH]cc1[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)[*:1]
Cc1ccc(C(=O)Nc2c(C)cnn2Cc2cccc(F)c2)cn1 Cc1ccc(cn1)[*:1] Cc1cnn(Cc2cccc(F)c2)c1NC(=O)[*:1]
Cc1ccc(C(=O)Nc2c(C)cnn2Cc2cccc(F)c2)cn1 Fc1cccc(c1)[*:1] Cc1ccc(cn1)C(=O)Nc1c(C)cnn1C[*:1]
Cc1ccc(C(=O)Nc2c(C)cnn2Cc2cccc(F)c2)cn1 Fc1cccc(c1)C[*:1] Cc1ccc(cn1)C(=O)Nc1c(C)cnn1[*:1]
O[C@@H](CN1CCOC[C@@H]1C1CC1)c1ccc(Br)cc1 C1CC1[*:1] O[C@@H](CN1CCOC[C@H]1[*:1])c1ccc(Br)cc1
CC(C)c1noc(C[NH+]2CCC(N3CCNC3=O)CC2)n1 O=C1NCCN1[*:1] CC(C)c1noc(C[NH+]2CCC(CC2)[*:1])n1
CC(C)c1noc(C[NH+]2CCC(N3CCNC3=O)CC2)n1 CC(C)[*:1] O=C1NCCN1C1CC[NH+](CC1)Cc1nc(no1)[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@H](C)C2)s1 CNS(=O)(=O)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)NCc1ccc(s1)[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@H](C)C2)s1 C[C@H]1CCC[C@@H](C1)[*:1] CNS(=O)(=O)c1ccc(CNC(=O)N[*:1])s1
CC1=N[C@@H](n2c(C)cc(C(=O)COC(=O)c3[nH]nc4ccccc34)c2C)SC1 c1ccc2c([nH]nc2c1)[*:1] CC1CS[C@@H](N=1)n1c(C)cc(C(=O)COC(=O)[*:1])c1C
Cn1c(-c2ccccc2)c(C=O)c2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] Cn1c(-c2ccccc2)c(C=O)c2cc(ccc21)[*:1]
Cn1c(-c2ccccc2)c(C=O)c2cc([N+](=O)[O-])ccc21 c1ccc(cc1)[*:1] Cn1c(c(C=O)c2cc(ccc21)[N+](=O)[O-])[*:1]
Cc1cc(CNc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)ccc1F Cc1cc(ccc1F)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)Cn1cc(cn1)NC[*:1]
CC(=O)NCC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 CC(=O)N[*:1] C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C[*:1]
CC(=O)NCC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 CC(=O)NC[*:1] C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[*:1]
O=C(Nc1ccccc1)[C@H](c1nc(-c2ccccc2)cs1)n1nnc2ccccc21 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H](c1nc(cs1)-c1ccccc1)n1nnc2ccccc21
O=C(Nc1ccccc1)[C@H](c1nc(-c2ccccc2)cs1)n1nnc2ccccc21 c1ccc2c(c1)nnn2[*:1] O=C(Nc1ccccc1)[C@H](c1nc(cs1)-c1ccccc1)[*:1]
O=C(Nc1ccccc1)[C@H](c1nc(-c2ccccc2)cs1)n1nnc2ccccc21 O=C(Nc1ccccc1)[*:1] c1ccc(cc1)-c1csc(n1)[C@H](n1nnc2ccccc21)[*:1]
O=C(Nc1ccccc1)[C@H](c1nc(-c2ccccc2)cs1)n1nnc2ccccc21 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)[C@H](c1nc(cs1)[*:1])n1nnc2ccccc21
CC(=O)O[C@@H](C)C(=O)N1CCN(c2nccc(-c3ccc(C(C)(C)C)cc3)n2)CC1 CC(C)(C)[*:1] CC(=O)O[C@@H](C)C(=O)N1CCN(CC1)c1nccc(n1)-c1ccc(cc1)[*:1]
CC(=O)O[C@@H](C)C(=O)N1CCN(c2nccc(-c3ccc(C(C)(C)C)cc3)n2)CC1 CC(=O)O[*:1] C[C@@H](C(=O)N1CCN(CC1)c1nccc(n1)-c1ccc(cc1)C(C)(C)C)[*:1]
CC(=O)O[C@@H](C)C(=O)N1CCN(c2nccc(-c3ccc(C(C)(C)C)cc3)n2)CC1 CC(C)(C)c1ccc(cc1)[*:1] CC(=O)O[C@@H](C)C(=O)N1CCN(CC1)c1nccc(n1)[*:1]
C[C@@H]1C[C@H](NC(=O)c2cc(Cl)sc2Cl)CN1c1ccccc1 Clc1cc(c(Cl)s1)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)[*:1]
C[C@@H]1C[C@H](NC(=O)c2cc(Cl)sc2Cl)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)c1cc(Cl)sc1Cl
Cc1cccc(N2CCN(C(=O)[C@H]3COc4ccc(Cl)cc4C3)CC2)c1 Cc1cccc(c1)[*:1] O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(CC1)[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)CCCn3cnnn3)[nH]c2c1 c1nnnn1C[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)CC[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)CCCn3cnnn3)[nH]c2c1 c1nnnn1CCC[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)CCCn3cnnn3)[nH]c2c1 c1nnnn1[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)CCC[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)CCCn3cnnn3)[nH]c2c1 c1nnnn1CC[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)C[*:1]
CC[C@H]1COCCN1C(=O)Cc1ccon1 c1cc(no1)[*:1] CC[C@H]1COCCN1C(=O)C[*:1]
CCCCN(CC)C(=O)c1ccccc1[N-]S(C)(=O)=O CCC[*:1] CCN(C[*:1])C(=O)c1ccccc1[N-]S(C)(=O)=O
CCCCN(CC)C(=O)c1ccccc1[N-]S(C)(=O)=O CCCC[*:1] CCN(C(=O)c1ccccc1[N-]S(C)(=O)=O)[*:1]
CCOC(=O)[C@@H](Cc1ccccc1)c1nc(CC)no1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H](C[*:1])c1nc(CC)no1
CCOC(=O)[C@@H](Cc1ccccc1)c1nc(CC)no1 CCOC(=O)[*:1] CCc1noc(n1)[C@H](Cc1ccccc1)[*:1]
C[C@@H]1CCN(C(=O)Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1O FC(F)(F)C[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Cc1cccc(c1)O[*:1]
C[C@@H]1CCN(C(=O)Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1O FC(F)(F)CO[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Cc1cccc(c1)[*:1]
C[C@@H]1CCN(C(=O)Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1O FC(F)(F)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Cc1cccc(c1)OC[*:1]
O=C(C[C@H]1C=CCC1)N[C@@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1C=CCC1)N[C@@H](Cc1ccccc1)[*:1]
O=C(C[C@H]1C=CCC1)N[C@@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1C=CCC1)N[C@@H](C[*:1])c1ccccc1
O=C(C[C@H]1C=CCC1)N[C@@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@H]1C=CCC1)N[C@@H](c1ccccc1)[*:1]
Cn1cc[nH+]c1CN1CCN(Cc2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] Cn1cc[nH+]c1CN1CCN(CC1)Cc1ccccc1[*:1]
NC(=O)Cn1cc(C(=O)N2CCc3ccc(Cl)cc32)nn1 NC(=O)[*:1] O=C(c1cn(C[*:1])nn1)N1CCc2ccc(Cl)cc21
NC(=O)Cn1cc(C(=O)N2CCc3ccc(Cl)cc32)nn1 NC(=O)C[*:1] O=C(c1cn(nn1)[*:1])N1CCc2ccc(Cl)cc21
COc1ccc(C(=O)NC(=O)CSc2nnc(-c3ccoc3C)o2)cc1 Cc1occc1[*:1] COc1ccc(cc1)C(=O)NC(=O)CSc1nnc(o1)[*:1]
COc1ccc(C(=O)NC(=O)CSc2nnc(-c3ccoc3C)o2)cc1 COc1ccc(cc1)[*:1] Cc1occc1-c1nnc(o1)SCC(=O)NC(=O)[*:1]
COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COc1ccccc1CN(C[*:1])C(=O)NC[C@H]1CCCO1
COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCO1 COc1ccccc1[*:1] O=C(NC[C@H]1CCCO1)N(C[C@H]1CCCO1)C[*:1]
COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] COc1ccccc1CN(C[C@H]1CCCO1)C(=O)N[*:1]
COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] COc1ccccc1CN(C(=O)NC[C@H]1CCCO1)[*:1]
COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COc1ccccc1CN(C[C@H]1CCCO1)C(=O)NC[*:1]
C#CCN[C@H](C(=O)OC)c1cnn(C)c1C C#CC[*:1] COC(=O)[C@@H](N[*:1])c1cnn(C)c1C
C#CCN[C@H](C(=O)OC)c1cnn(C)c1C C#CCN[*:1] COC(=O)[C@H](c1cnn(C)c1C)[*:1]
C#CCN[C@H](C(=O)OC)c1cnn(C)c1C COC(=O)[*:1] C#CCN[C@H](c1cnn(C)c1C)[*:1]
CC(=O)Nc1ccc(Oc2ccc3nnc(C(F)F)n3n2)cc1 FC(F)[*:1] CC(=O)Nc1ccc(cc1)Oc1ccc2nnc(n2n1)[*:1]
CC(=O)Nc1ccc(Oc2ccc3nnc(C(F)F)n3n2)cc1 CC(=O)N[*:1] FC(F)c1nnc2ccc(nn12)Oc1ccc(cc1)[*:1]
C[C@H](NCC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 O=[N+]([O-])[*:1] C[C@H](NCC(=O)NCc1ccccc1[*:1])c1ccc(Cl)cc1
C[C@H](NCC(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NCC(=O)NCc1ccccc1[N+](=O)[O-])[*:1]
CC[C@@H](C)n1ccc(Cn2ccc([C@H](C)[NH2+]C)c2)n1 CC[C@@H](C)[*:1] C[NH2+][C@@H](C)c1ccn(c1)Cc1ccn(n1)[*:1]
C[C@@H](Nc1ccc(S(C)(=O)=O)nc1)c1ccoc1 c1cc(co1)[*:1] C[C@@H](Nc1ccc(nc1)S(C)(=O)=O)[*:1]
C[C@@H](Nc1ccc(S(C)(=O)=O)nc1)c1ccoc1 CS(=O)(=O)[*:1] C[C@@H](Nc1ccc(nc1)[*:1])c1ccoc1
CCC[C@H]1C[C@H]1NC(=O)c1ccc2c(c1)nnn2CC CCC[*:1] CCn1nnc2cc(ccc21)C(=O)N[C@@H]1C[C@@H]1[*:1]
Cn1cc([C@H]2C[C@@H]2C(=O)OCC(=O)NC2CCCCC2)cn1 Cn1cc(cn1)[*:1] O=C(COC(=O)[C@H]1C[C@@H]1[*:1])NC1CCCCC1
Cn1cc([C@H]2C[C@@H]2C(=O)OCC(=O)NC2CCCCC2)cn1 C1CCC(CC1)[*:1] Cn1cc(cn1)[C@H]1C[C@@H]1C(=O)OCC(=O)N[*:1]
CCOCc1ccccc1CNC(=O)C(=O)Nc1cccc(Cl)c1C CCO[*:1] Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccccc1C[*:1]
CCOCc1ccccc1CNC(=O)C(=O)Nc1cccc(Cl)c1C CCOC[*:1] Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccccc1[*:1]
CCOCc1ccccc1CNC(=O)C(=O)Nc1cccc(Cl)c1C Cc1c(Cl)cccc1[*:1] CCOCc1ccccc1CNC(=O)C(=O)N[*:1]
C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccccc1[*:1]
CCS(=O)(=O)N1CC[C@]2(CCCN(Cc3ccc(C(C)C)cc3)C2=O)C1 CC(C)[*:1] CCS(=O)(=O)N1CC[C@]2(CCCN(Cc3ccc(cc3)[*:1])C2=O)C1
CCC(CC)c1nnc(NC(=O)C(=O)N2CCc3cc(F)ccc3C2)s1 CCC(CC)[*:1] O=C(Nc1nnc(s1)[*:1])C(=O)N1CCc2cc(F)ccc2C1
c1coc(CN[C@H]2CCc3ccccc3C2)c1 c1coc(c1)[*:1] c1ccc2C[C@H](CCc2c1)NC[*:1]
Cc1cc(C)c2c(CC(=O)NNC(=O)c3ccc(Br)cc3)coc2c1 Brc1ccc(cc1)[*:1] Cc1cc(C)c2c(coc2c1)CC(=O)NNC(=O)[*:1]
COc1ccc2cc([C@@H](C)Nc3cc(C)c(NC(C)=O)c(C)c3)ccc2c1 CC(=O)N[*:1] COc1ccc2cc(ccc2c1)[C@@H](C)Nc1cc(C)c(c(C)c1)[*:1]
C[C@@H](O)[C@@H](C)Nc1ccc(C(F)(F)F)cc1Cl C[C@@H](O)[*:1] C[C@@H](Nc1ccc(cc1Cl)C(F)(F)F)[*:1]
C[C@@H](O)[C@@H](C)Nc1ccc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] C[C@@H](O)[C@@H](C)Nc1ccc(cc1Cl)[*:1]
O[C@@H](C[NH2+][C@@H]1CSCCc2ccccc21)C1CCOCC1 C1CC(CCO1)[*:1] O[C@@H](C[NH2+][C@@H]1CSCCc2ccccc21)[*:1]
CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 c1ccc(C[*:1])nc1 CCOc1ccc2nc(sc2c1)N(C(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 O=[N+]([O-])c1ccc(cc1)[*:1] CCOc1ccc2nc(sc2c1)N(Cc1ccccn1)C(=O)[*:1]
CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 CCO[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N(Cc1ccccn1)c1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 O=[N+]([O-])[*:1] CCOc1ccc2nc(sc2c1)N(Cc1ccccn1)C(=O)c1ccc(cc1)[*:1]
CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 c1ccc(nc1)[*:1] CCOc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1ccc(cc1)[N+](=O)[O-]
Cn1cccc1[C@H](CNC(=O)Cc1ccc(Cl)cc1)[NH+]1CCOCC1 Cn1cccc1[*:1] O=C(Cc1ccc(Cl)cc1)NC[C@H]([NH+]1CCOCC1)[*:1]
Cn1cccc1[C@H](CNC(=O)Cc1ccc(Cl)cc1)[NH+]1CCOCC1 Clc1ccc(cc1)C[*:1] Cn1cccc1[C@H](CNC(=O)[*:1])[NH+]1CCOCC1
Cn1cccc1[C@H](CNC(=O)Cc1ccc(Cl)cc1)[NH+]1CCOCC1 Clc1ccc(cc1)[*:1] Cn1cccc1[C@H](CNC(=O)C[*:1])[NH+]1CCOCC1
COc1ccc(-n2c(SCC(=O)Nc3cccc(OC)c3)nc3c(c2=O)S[C@@H](C)C3)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)-n1c(nc2C[C@H](C)Sc2c1=O)SCC(=O)N[*:1]
COc1ccc(-n2c(SCC(=O)Nc3cccc(OC)c3)nc3c(c2=O)S[C@@H](C)C3)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CSc1nc2C[C@H](C)Sc2c(=O)n1[*:1]
CC(C)(C)c1ncc(NC(=O)Cc2ccc3c(c2)OCO3)cn1 CC(C)(C)[*:1] O=C(Cc1ccc2OCOc2c1)Nc1cnc(nc1)[*:1]
O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)NC(=O)CS2 O=[N+]([O-])[*:1] O=C(CCc1cccc(c1)[*:1])Nc1ccc2SCC(=O)Nc2c1
C[C@@H](CCCO)NC(=O)N(C)C1CCN(c2cccc(F)c2)CC1 OCC[*:1] C[C@@H](C[*:1])NC(=O)N(C)C1CCN(CC1)c1cccc(F)c1
C[C@@H](CCCO)NC(=O)N(C)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] C[C@@H](CCCO)NC(=O)N(C)C1CCN(CC1)[*:1]
C[C@@H](CCCO)NC(=O)N(C)C1CCN(c2cccc(F)c2)CC1 OCCC[*:1] C[C@@H](NC(=O)N(C)C1CCN(CC1)c1cccc(F)c1)[*:1]
O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 Clc1ccc(cc1)[*:1] O=C(COC(=O)C1(CCCC1)[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
CC(C)(C)Cc1nn([C@@H]2CCC[C@@H]2O)c(N)c1Cl CC(C)(C)C[*:1] Nc1c(Cl)c(nn1[C@@H]1CCC[C@@H]1O)[*:1]
CC(C)(C)Cc1nn([C@@H]2CCC[C@@H]2O)c(N)c1Cl CC(C)(C)[*:1] Nc1c(Cl)c(C[*:1])nn1[C@@H]1CCC[C@@H]1O
CC(C)(C)Cc1nn([C@@H]2CCC[C@@H]2O)c(N)c1Cl O[C@H]1CCC[C@H]1[*:1] CC(C)(C)Cc1nn(c(N)c1Cl)[*:1]
Cc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1Cl c1csc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[*:1]
C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(cc1)S(=O)(=O)[*:1]
CC(=O)N1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)Oc2ccccc21 O=S(=O)(N1CCCC1)[*:1] CC(=O)N1C[C@H](Oc2ccccc21)C(=O)Nc1cccc(c1)[*:1]
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 CC(=O)O[*:1] CC(=O)OC([C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(C(=O)[C@@H]12)c1ccc(Cl)cc1Cl)[*:1]
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 CC(=O)OC(OC(C)=O)[*:1] O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@H]1C=C[C@]2(O1)[*:1]
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 Clc1ccc(c(Cl)c1)[*:1] CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(C(=O)[C@@H]12)[*:1]
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(CC(=O)[O-])cc1 O=C([O-])C[*:1] Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)[*:1]
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(CC(=O)[O-])cc1 O=C([O-])[*:1] Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)C[*:1]
CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(OC)cc3)sc2c1 COc1ccc(cc1)[*:1] CCOc1ccc2nc(NC(=S)NC(=O)[*:1])sc2c1
CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(OC)cc3)sc2c1 CCO[*:1] COc1ccc(cc1)C(=O)NC(=S)Nc1nc2ccc(cc2s1)[*:1]
C[C@@H]1CCC[C@@H](C)N1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] C[C@@H]1CCC[C@@H](C)N1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cn1cnc([N+](=O)[O-])c1Oc1ccc(C#N)cc1 O=[N+]([O-])[*:1] Cn1cnc(c1Oc1ccc(C#N)cc1)[*:1]
O=C([O-])CNC(=O)/C=C/c1c(Cl)cccc1Cl O=C([O-])[*:1] O=C(/C=C/c1c(Cl)cccc1Cl)NC[*:1]
O=C([O-])CNC(=O)/C=C/c1c(Cl)cccc1Cl O=C([O-])C[*:1] O=C(/C=C/c1c(Cl)cccc1Cl)N[*:1]
COC(=O)c1ccccc1NC(=O)[C@@]1(C)CCCO1 COC(=O)[*:1] C[C@@]1(CCCO1)C(=O)Nc1ccccc1[*:1]
C[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(cc1[*:1])S(=O)(=O)C(F)(F)F
C[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 O=S(=O)(C(F)(F)F)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(cc1[N+](=O)[O-])[*:1]
C[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 FC(F)(F)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)[*:1]
Cc1cc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)no1 Cc1cc(no1)[*:1] Cc1ccc(OCC(=O)N[*:1])c2C(=O)C[C@@H](C)c12
COC[C@H]1CCN(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)C1 COC[*:1] C[C@H]1[C@H](CCN1C(=O)N1CC[C@@H](C1)[*:1])C(=O)[O-]
COC[C@H]1CCN(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)C1 O=C([O-])[*:1] COC[C@H]1CCN(C1)C(=O)N1CC[C@H]([C@@H]1C)[*:1]
CCN1C(=O)[C@](C)(C(=O)NCC(=O)NC)Sc2ccccc21 CNC(=O)C[*:1] CCN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)N[*:1]
CCN1C(=O)[C@](C)(C(=O)NCC(=O)NC)Sc2ccccc21 CNC(=O)[*:1] CCN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)NC[*:1]
CC[C@H](C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 c1coc(c1)[*:1] CC[C@H](C)Sc1oc(nc1S(=O)(=O)c1ccccc1)[*:1]
CC[C@H](C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)Sc1oc(nc1S(=O)(=O)[*:1])-c1ccco1
Cc1nc(-c2cc3c(s2)CCN(c2ccc([N+](=O)[O-])nc2)C3)cs1 Cc1nc(cs1)[*:1] O=[N+]([O-])c1ccc(cn1)N1CCc2sc(cc2C1)[*:1]
Cc1nc(-c2cc3c(s2)CCN(c2ccc([N+](=O)[O-])nc2)C3)cs1 O=[N+]([O-])[*:1] Cc1nc(cs1)-c1cc2CN(CCc2s1)c1ccc(nc1)[*:1]
C[C@@H]1CCC[C@@H](C(=O)Cc2nc(C(C)(C)C)cs2)C1 CC(C)(C)[*:1] C[C@@H]1CCC[C@H](C1)C(=O)Cc1nc(cs1)[*:1]
COc1cc(C(C)=O)ccc1O[C@@H](C)c1ncc(C(C)(C)C)o1 CC(=O)[*:1] COc1cc(ccc1O[C@@H](C)c1ncc(o1)C(C)(C)C)[*:1]
COc1cc(C(C)=O)ccc1O[C@@H](C)c1ncc(C(C)(C)C)o1 CC(C)(C)[*:1] COc1cc(ccc1O[C@@H](C)c1ncc(o1)[*:1])C(C)=O
Cc1oc(-c2ccccc2NC(=O)c2ccsc2)nc1C[NH+](C)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1oc(nc1C[NH+](C)C[*:1])-c1ccccc1NC(=O)c1ccsc1
Cc1oc(-c2ccccc2NC(=O)c2ccsc2)nc1C[NH+](C)Cc1ccccc1 O=C(N[*:1])c1ccsc1 Cc1oc(nc1C[NH+](C)Cc1ccccc1)-c1ccccc1[*:1]
Cc1oc(-c2ccccc2NC(=O)c2ccsc2)nc1C[NH+](C)Cc1ccccc1 c1cc(cs1)[*:1] Cc1oc(nc1C[NH+](C)Cc1ccccc1)-c1ccccc1NC(=O)[*:1]
Cc1oc(-c2ccccc2NC(=O)c2ccsc2)nc1C[NH+](C)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1oc(nc1C[NH+](C)[*:1])-c1ccccc1NC(=O)c1ccsc1
CC(C)COC1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 O=S(=O)(N1CCCC1)[*:1] CC(C)COC1CCN(CC1)c1ccc(cn1)[*:1]
CC(C)COC1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 CC(C)[*:1] O=S(=O)(c1ccc(nc1)N1CCC(CC1)OC[*:1])N1CCCC1
CC(C)COC1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 CC(C)CO[*:1] O=S(=O)(c1ccc(nc1)N1CCC(CC1)[*:1])N1CCCC1
CC(C)COC1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 CC(C)C[*:1] O=S(=O)(c1ccc(nc1)N1CCC(CC1)O[*:1])N1CCCC1
CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 CCC(C)(C)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1ccc(cc1)C(C)(C)C
CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(cc1)[*:1]
CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 CCC(C)(C)NC(=O)[*:1] C[C@@H](S(=O)(=O)Cc1ccc(cc1)C(C)(C)C)[*:1]
O=C(NNC(=O)c1ccccc1Cl)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(NNC(=O)c1ccccc1Cl)N[C@H]1CCN(C1)C[*:1]
O=C(NNC(=O)c1ccccc1Cl)N[C@H]1CCN(CC(F)(F)F)C1 Clc1ccccc1[*:1] O=C(NNC(=O)[*:1])N[C@H]1CCN(C1)CC(F)(F)F
O=C(NNC(=O)c1ccccc1Cl)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(NNC(=O)c1ccccc1Cl)N[C@H]1CCN(C1)[*:1]
Cc1ccc(F)cc1C(=O)NCCOc1ccc([N-]S(C)(=O)=O)cc1 Cc1ccc(F)cc1[*:1] CS(=O)(=O)[N-]c1ccc(cc1)OCCNC(=O)[*:1]
O=C(CN(Cc1ccccc1)C(=O)c1cccc(Br)c1)N1CCNCC1 Brc1cccc(c1)[*:1] O=C(CN(Cc1ccccc1)C(=O)[*:1])N1CCNCC1
O=C(CN(Cc1ccccc1)C(=O)c1cccc(Br)c1)N1CCNCC1 O=C(N1CCNCC1)[*:1] O=C(c1cccc(Br)c1)N(Cc1ccccc1)C[*:1]
O=C(CN(Cc1ccccc1)C(=O)c1cccc(Br)c1)N1CCNCC1 c1ccc(cc1)[*:1] O=C(CN(C[*:1])C(=O)c1cccc(Br)c1)N1CCNCC1
O=C(CN(Cc1ccccc1)C(=O)c1cccc(Br)c1)N1CCNCC1 c1ccc(cc1)C[*:1] O=C(CN(C(=O)c1cccc(Br)c1)[*:1])N1CCNCC1
CCN1CCSc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 C1CO[C@@H](C1)C[*:1] CCN1CCSc2ccc(cc21)C(=O)N[*:1]
CCN1CCSc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 C1CO[C@@H](C1)[*:1] CCN1CCSc2ccc(cc21)C(=O)NC[*:1]
Cc1ccc(-c2cc(CSc3nnc(-c4ccc[nH]4)o3)on2)cc1 c1c[nH]c(c1)[*:1] Cc1ccc(cc1)-c1cc(CSc2nnc(o2)[*:1])on1
Cc1ccc(-c2cc(CSc3nnc(-c4ccc[nH]4)o3)on2)cc1 Cc1ccc(cc1)[*:1] c1c[nH]c(c1)-c1nnc(o1)SCc1cc(no1)[*:1]
CCc1coc(C(=O)N2C[C@H]3CC[C@@]4(NC(=O)c5cc(C)ccc5N4)[C@@H]3C2)c1C CCc1coc(c1C)[*:1] Cc1ccc2N[C@]3(CC[C@@H]4CN(C[C@H]43)C(=O)[*:1])NC(=O)c2c1
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CS[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1cccc[n+]1[O-] CC(C)[*:1] C[C@H]1CC[C@H]([C@@H](C1)OC(=O)CSc1cccc[n+]1[O-])[*:1]
COc1ccccc1COc1cccc(NC(=O)c2ccc(C=O)[nH]2)c1C COc1ccccc1[*:1] Cc1c(cccc1OC[*:1])NC(=O)c1ccc(C=O)[nH]1
COc1ccccc1COc1cccc(NC(=O)c2ccc(C=O)[nH]2)c1C COc1ccccc1C[*:1] Cc1c(cccc1O[*:1])NC(=O)c1ccc(C=O)[nH]1
COc1ccccc1CCc1nnc(CCC(=O)N2CCCCC2)o1 COc1ccccc1[*:1] O=C(CCc1nnc(CC[*:1])o1)N1CCCCC1
COc1ccccc1CCc1nnc(CCC(=O)N2CCCCC2)o1 O=C(N1CCCCC1)[*:1] COc1ccccc1CCc1nnc(CC[*:1])o1
Cc1cc(SCc2ccc([N+](=O)[O-])c(NN)c2)n(C)n1 O=[N+]([O-])[*:1] Cc1cc(SCc2ccc(c(c2)NN)[*:1])n(C)n1
O=c1[nH]c(/C=C/c2ccc(Br)cc2)nc([O-])c1[N+](=O)[O-] O=[N+]([O-])[*:1] O=c1[nH]c(/C=C/c2ccc(Br)cc2)nc([O-])c1[*:1]
CC(C)=CC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CC(C)=CC(=O)NCc1ccc(cc1)NC(=O)[*:1]
CC(C)=CC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 CC(C)=CC(=O)N[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccco1
CC(C)=CC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 CC(C)=C[*:1] O=C(Nc1ccc(cc1)CNC(=O)[*:1])c1ccco1
CC[C@H](CO)N1CCN(C(=O)c2nc([O-])c3ccccc3n2)CC1 CC[C@H](CO)[*:1] O=C(c1nc([O-])c2ccccc2n1)N1CCN(CC1)[*:1]
CC1(C)C(CN[C@@H](c2ccccc2)C(F)(F)F)C1(C)C c1ccc(cc1)[*:1] CC1(C)C(CN[C@@H](C(F)(F)F)[*:1])C1(C)C
CC1(C)C(CN[C@@H](c2ccccc2)C(F)(F)F)C1(C)C FC(F)(F)[*:1] CC1(C)C(CN[C@@H](c2ccccc2)[*:1])C1(C)C
Cc1ncc(-c2ccncc2)c(CN(C)C(=O)c2cccnc2)n1 c1cc(ccn1)[*:1] Cc1ncc(c(CN(C)C(=O)c2cccnc2)n1)[*:1]
Cc1ncc(-c2ccncc2)c(CN(C)C(=O)c2cccnc2)n1 c1cncc(c1)[*:1] Cc1ncc(-c2ccncc2)c(CN(C)C(=O)[*:1])n1
COCCN(Cc1cccnc1)C(=O)[C@@]1(C)CC1(Cl)Cl COC[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)N(Cc1cccnc1)C[*:1]
COCCN(Cc1cccnc1)C(=O)[C@@]1(C)CC1(Cl)Cl c1cncc(c1)[*:1] COCCN(C[*:1])C(=O)[C@@]1(C)CC1(Cl)Cl
COCCN(Cc1cccnc1)C(=O)[C@@]1(C)CC1(Cl)Cl COCC[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)N(Cc1cccnc1)[*:1]
CC[C@@H](NC(=O)Nc1cncc2ccccc12)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H](NC(=O)Nc1cncc2ccccc12)[*:1]
CCCNC(=O)c1ccccc1NC(=O)CC(=O)OC CCC[*:1] COC(=O)CC(=O)Nc1ccccc1C(=O)N[*:1]
CCCNC(=O)c1ccccc1NC(=O)CC(=O)OC CCCNC(=O)[*:1] COC(=O)CC(=O)Nc1ccccc1[*:1]
CCCNC(=O)c1ccccc1NC(=O)CC(=O)OC COC(=O)[*:1] CCCNC(=O)c1ccccc1NC(=O)C[*:1]
CCCNC(=O)c1ccccc1NC(=O)CC(=O)OC COC(=O)C[*:1] CCCNC(=O)c1ccccc1NC(=O)[*:1]
NC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 NC(=O)[*:1] O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCCC[C@@H]1C[*:1]
NC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] NC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1[*:1]
NC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 NC(=O)C[*:1] O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCCC[C@@H]1[*:1]
CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CO)c1 CC(C)[*:1] C[C@@H]1CCCN([C@@H]1CO)S(=O)(=O)c1cn(cn1)[*:1]
CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 CCNC(=O)[C@H](C)O[*:1] Cc1cccc(c1)[C@@H]1c2cc(ccc2CCN1C(=O)c1ccco1)[*:1]
CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 c1coc(c1)[*:1] CCNC(=O)[C@H](C)Oc1ccc2CCN(C(=O)[*:1])[C@H](c3cccc(C)c3)c2c1
CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 CCNC(=O)[C@H](C)[*:1] Cc1cccc(c1)[C@@H]1c2cc(ccc2CCN1C(=O)c1ccco1)O[*:1]
CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 CCNC(=O)[*:1] Cc1cccc(c1)[C@@H]1c2cc(ccc2CCN1C(=O)c1ccco1)O[C@@H](C)[*:1]
CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 Cc1cccc(c1)[*:1] CCNC(=O)[C@H](C)Oc1ccc2CCN(C(=O)c3ccco3)[C@H](c2c1)[*:1]
CCOc1ccc(C(=O)NNC(=O)c2cccc3ncccc23)cc1 CCO[*:1] O=C(NNC(=O)c1cccc2ncccc12)c1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)cc1C COc1ccc(cc1C)[*:1] Cc1ccn(n1)-c1ccc(nn1)Nc1ccc(cc1)NS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)cc1C Cc1ccn(n1)[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)Nc1ccc(nn1)[*:1]
O=C(Nc1ccc2c(c1)COC2)N[C@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1ccc2COCc2c1)N[C@H](c1ccco1)[*:1]
O=C(Nc1ccc2c(c1)COC2)N[C@H](c1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc2COCc2c1)N[C@H](c1ccccc1)[*:1]
COc1ccccc1C1(CNC(=O)c2cccc(-n3cnnn3)c2)CCOCC1 c1nnnn1[*:1] COc1ccccc1C1(CCOCC1)CNC(=O)c1cccc(c1)[*:1]
COc1ccccc1C1(CNC(=O)c2cccc(-n3cnnn3)c2)CCOCC1 COc1ccccc1[*:1] O=C(NCC1(CCOCC1)[*:1])c1cccc(c1)-n1cnnn1
NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])Nc1ccccc1
NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)N[*:1]
O=C(C1=NC=C(c2csc(NC[C@H]3CCCO3)n2)C1)N1CCCC1 C1CO[C@H](C1)CN[*:1] O=C(C1CC(=CN=1)c1csc(n1)[*:1])N1CCCC1
O=C(C1=NC=C(c2csc(NC[C@H]3CCCO3)n2)C1)N1CCCC1 C1CO[C@H](C1)C[*:1] O=C(C1CC(=CN=1)c1csc(n1)N[*:1])N1CCCC1
O=C(C1=NC=C(c2csc(NC[C@H]3CCCO3)n2)C1)N1CCCC1 C1CO[C@H](C1)[*:1] O=C(C1CC(=CN=1)c1csc(n1)NC[*:1])N1CCCC1
CCCCCO[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 CCC[*:1] [NH3+][C@H]1CCC2(C[C@H]1OCC[*:1])OCCO2
CCCCCO[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 CCCCC[*:1] [NH3+][C@H]1CCC2(C[C@H]1O[*:1])OCCO2
CCCCCO[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 CCCC[*:1] [NH3+][C@H]1CCC2(C[C@H]1OC[*:1])OCCO2
C/C(=N\NC(=O)CCCNc1ccc(Br)cc1)c1ccc(C)cc1 Brc1ccc(cc1)N[*:1] C/C(=N\NC(=O)CCC[*:1])c1ccc(C)cc1
C/C(=N\NC(=O)CCCNc1ccc(Br)cc1)c1ccc(C)cc1 Brc1ccc(cc1)[*:1] C/C(=N\NC(=O)CCCN[*:1])c1ccc(C)cc1
C/C(=N\NC(=O)CCCNc1ccc(Br)cc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=NNC(=O)CCCNc1ccc(Br)cc1)[*:1]
C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)[*:1]
C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)N(C)c1ccccc1 Clc1cccc(c1)[*:1] C[C@@H](CNC(=O)C(=O)N[*:1])N(C)c1ccccc1
C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)N(C)[*:1]
O=C(Nc1ccc(Cl)cn1)c1cnc(C2CC[NH2+]CC2)cn1 Clc1ccc(nc1)[*:1] O=C(N[*:1])c1cnc(cn1)C1CC[NH2+]CC1
Cc1c(F)cccc1NC(=O)NCCCCn1cnnc1 c1nncn1[*:1] Cc1c(F)cccc1NC(=O)NCCCC[*:1]
Cc1c(F)cccc1NC(=O)NCCCCn1cnnc1 c1nncn1C[*:1] Cc1c(F)cccc1NC(=O)NCCC[*:1]
Cc1c(F)cccc1NC(=O)NCCCCn1cnnc1 c1nncn1CC[*:1] Cc1c(F)cccc1NC(=O)NCC[*:1]
CC[C@H](c1ccccc1)N1Cc2cc(NS(=O)(=O)c3ccc(C)c(F)c3)ccc2OCC1=O Cc1ccc(cc1F)[*:1] CC[C@H](c1ccccc1)N1Cc2cc(ccc2OCC1=O)NS(=O)(=O)[*:1]
CC[C@H](c1ccccc1)N1Cc2cc(NS(=O)(=O)c3ccc(C)c(F)c3)ccc2OCC1=O c1ccc(cc1)[*:1] CC[C@H](N1Cc2cc(ccc2OCC1=O)NS(=O)(=O)c1ccc(C)c(F)c1)[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)NCCC3CCCCC3)CC2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)NCCC1CCCCC1
Cc1ccc(NC(=O)C2CCN(C(=O)NCCC3CCCCC3)CC2)nc1 C1CCC(CC1)CC[*:1] Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)NCCC3CCCCC3)CC2)nc1 C1CCC(CC1)C[*:1] Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)NC[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)NCCC3CCCCC3)CC2)nc1 C1CCC(CC1)[*:1] Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)NCC[*:1]
Cc1ccc([C@H](C)NC(=O)CCNc2ncccn2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)CCNc1ncccn1)[*:1]
Cc1ccc([C@H](C)NC(=O)CCNc2ncccn2)o1 c1cnc(nc1)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)CCN[*:1]
C[NH+]1CCN([C@H](CNC(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)c1ccc(F)c(F)c1)[*:1]
C[NH+]1CCN([C@H](CNC(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)CC1 Fc1ccc(cc1F)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)[*:1])c1ccc(F)cc1
COc1ccc(-c2cc(C(=O)NCCNc3cc[nH+]cc3C)n[nH]2)cc1 COc1ccc(cc1)[*:1] Cc1c[nH+]ccc1NCCNC(=O)c1cc([nH]n1)[*:1]
CC(C)[NH2+][C@]1(CO)CSCC(C)(C)C1 CC(C)[*:1] CC1(C)CSC[C@](CO)(C1)[NH2+][*:1]
CC(C)[NH2+][C@]1(CO)CSCC(C)(C)C1 CC(C)[NH2+][*:1] CC1(C)CSC[C@@](CO)(C1)[*:1]
N#CCc1ccc(S(=O)(=O)NCCC(F)(F)F)cc1 FC(F)(F)C[*:1] N#CCc1ccc(cc1)S(=O)(=O)NC[*:1]
N#CCc1ccc(S(=O)(=O)NCCC(F)(F)F)cc1 FC(F)(F)[*:1] N#CCc1ccc(cc1)S(=O)(=O)NCC[*:1]
N#CCc1ccc(S(=O)(=O)NCCC(F)(F)F)cc1 FC(F)(F)CC[*:1] N#CCc1ccc(cc1)S(=O)(=O)N[*:1]
N#CCc1ccc(S(=O)(=O)NCCC(F)(F)F)cc1 N#CC[*:1] O=S(=O)(NCCC(F)(F)F)c1ccc(cc1)[*:1]
C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2C1=O Cc1ccc(c(C)c1)[*:1] C=CCN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2C1=O C=CC[*:1] Cc1ccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)[*:1])c(C)c1
CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21 Clc1cc(Cl)cc(c1)[*:1] CC(=O)N1CCc2cc(ccc21)[N-]S(=O)(=O)[*:1]
Cc1nn(C)c(C)c1CC(=O)N1CCC(C(=O)N(C)C)CC1 CN(C)C(=O)[*:1] Cc1nn(C)c(C)c1CC(=O)N1CCC(CC1)[*:1]
CC(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1cccnc1Cl
O=C(Cc1csc(Nc2ccccc2)n1)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(Cc1csc(n1)Nc1ccccc1)N[*:1]
O=C(Cc1csc(Nc2ccccc2)n1)NCc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)N[*:1])NCc1ccc(F)cc1
O=C(Cc1csc(Nc2ccccc2)n1)NCc1ccc(F)cc1 c1ccc(cc1)N[*:1] O=C(Cc1csc(n1)[*:1])NCc1ccc(F)cc1
O=C(Cc1csc(Nc2ccccc2)n1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1csc(n1)Nc1ccccc1)NC[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)C[NH+]2CCCCCCC2)c1 COC(=O)[*:1] COC(=O)c1ccc(cc1NC(=O)C[NH+]1CCCCCCC1)[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)C[NH+]2CCCCCCC2)c1 COC(=O)[*:1] COC(=O)c1ccc(c(c1)NC(=O)C[NH+]1CCCCCCC1)[*:1]
O=C(OC[C@@H]1CCCCO1)c1cccc(NC(=O)C2CC2)c1 C1CC[C@@H](C[*:1])OC1 O=C(O[*:1])c1cccc(c1)NC(=O)C1CC1
O=C(OC[C@@H]1CCCCO1)c1cccc(NC(=O)C2CC2)c1 C1CC[C@H](OC1)[*:1] O=C(OC[*:1])c1cccc(c1)NC(=O)C1CC1
O=C(OC[C@@H]1CCCCO1)c1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] O=C(OC[C@@H]1CCCCO1)c1cccc(c1)NC(=O)[*:1]
O=C(OC[C@@H]1CCCCO1)c1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 O=C(OC[C@@H]1CCCCO1)c1cccc(c1)[*:1]
CCOC(=O)c1ccoc1CSc1nc2c(c(C)c1C#N)CCC2 CCOC(=O)[*:1] Cc1c(C#N)c(nc2CCCc21)SCc1occc1[*:1]
O=C(CN1CCN(C(=O)c2ccoc2)CC1)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(CN1CCN(CC1)C(=O)c1ccoc1)N[*:1]
O=C(CN1CCN(C(=O)c2ccoc2)CC1)Nc1ccc(F)c(Cl)c1 c1cc(co1)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1ccc(F)c(Cl)c1
O=C(NCCCCc1ccccc1)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(NCCCCc1ccccc1)C(=O)N[*:1]
O=C(NCCCCc1ccccc1)C(=O)Nc1ccc(Br)cc1 c1ccc(cc1)C[*:1] O=C(NCCC[*:1])C(=O)Nc1ccc(Br)cc1
O=C(NCCCCc1ccccc1)C(=O)Nc1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(NCCCC[*:1])C(=O)Nc1ccc(Br)cc1
O=S(=O)(Cc1nnnn1-c1ccc(Br)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(Cc1nnnn1-c1ccc(Br)cc1)[*:1]
O=S(=O)(Cc1nnnn1-c1ccc(Br)cc1)c1ccc(F)cc1 Brc1ccc(cc1)[*:1] O=S(=O)(Cc1nnnn1[*:1])c1ccc(F)cc1
O=S(=O)(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=S(=O)(/C=C/c1ccccc1)Nc1cccc(c1)[*:1]
O=S(=O)(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 c1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCC1
O=S(=O)(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 C(=C[*:1])c1ccccc1 O=S(=O)(c1cccc(c1)NS(=O)(=O)[*:1])N1CCCCC1
O=C(CNC(=O)NC1CCCCC1)NCCNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)NC1CCCCC1)NCCNC(=O)[*:1]
O=C(CNC(=O)NC1CCCCC1)NCCNC(=O)c1ccccc1 C1CCC(CC1)[*:1] O=C(CNC(=O)N[*:1])NCCNC(=O)c1ccccc1
CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1cccs1 CC(C)[*:1] CC[C@H]([NH2+][C@H]1CCN(C1=O)[*:1])c1cccs1
CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1cccs1 c1csc(c1)[*:1] CC[C@H]([NH2+][C@H]1CCN(C1=O)C(C)C)[*:1]
CC(C)(C[NH2+]Cc1c[nH]nc1-c1cccnc1)N1CCc2ccccc2C1 c1cncc(c1)[*:1] CC(C)(C[NH2+]Cc1c[nH]nc1[*:1])N1CCc2ccccc2C1
Cc1nc(C(F)(F)F)c(C(=O)NC(=O)NNc2ccc(Cl)cc2Cl)s1 Clc1ccc(c(Cl)c1)[*:1] Cc1nc(c(s1)C(=O)NC(=O)NN[*:1])C(F)(F)F
Cc1nc(C(F)(F)F)c(C(=O)NC(=O)NNc2ccc(Cl)cc2Cl)s1 FC(F)(F)[*:1] Cc1nc(c(s1)C(=O)NC(=O)NNc1ccc(Cl)cc1Cl)[*:1]
CNC(=O)c1ccc(NCC(=O)Nc2cccc(C)c2C)cc1 CNC(=O)[*:1] Cc1cccc(NC(=O)CNc2ccc(cc2)[*:1])c1C
NC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(COC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1)N[*:1]
NC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 NC(=O)[*:1] O=C(COC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1)Nc1ccc(cc1)[*:1]
Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)Nc3c(C)cccc3C)n2C)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(CN[*:1])n1C
Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)Nc3c(C)cccc3C)n2C)cc1Cl Cc1ccc(cc1Cl)N[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(C[*:1])n1C
Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)Nc3c(C)cccc3C)n2C)cc1Cl Cc1cccc(C)c1[*:1] Cc1ccc(cc1Cl)NCc1nnc(S[C@@H](C)C(=O)N[*:1])n1C
Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)Nc3c(C)cccc3C)n2C)cc1Cl Cc1ccc(cc1Cl)NC[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(n1C)[*:1]
NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)nc2c1[nH]c(=O)n2-c1ccccc1F FC(F)(F)[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2-c1ccccc1F)-c1cccc(c1)[*:1]
NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)nc2c1[nH]c(=O)n2-c1ccccc1F NC(=O)[*:1] O=c1[nH]c2c(nc(nc2n1-c1ccccc1F)-c1cccc(c1)C(F)(F)F)[*:1]
NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)nc2c1[nH]c(=O)n2-c1ccccc1F FC(F)(F)c1cccc(c1)[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2-c1ccccc1F)[*:1]
NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)nc2c1[nH]c(=O)n2-c1ccccc1F Fc1ccccc1[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2[*:1])-c1cccc(c1)C(F)(F)F
Cc1nc(CNC(=O)[C@@H]2CCCc3ccccc32)sc1C Cc1nc(sc1C)[*:1] O=C(NC[*:1])[C@@H]1CCCc2ccccc21
C[C@@H](C(=O)[O-])[C@H](C)[S@@](=O)c1ccc(F)c(F)c1 O=C([O-])[*:1] C[C@@H]([C@H](C)[*:1])[S@@](=O)c1ccc(F)c(F)c1
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2cscn2)cc1 O=[N+]([O-])[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1ccc(cc1)-c1cscn1
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] O=C(Nc1ccc(F)c(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
Cc1cc(C(=O)O[C@@H](C#N)C(C)C)ccc1I CC(C)[*:1] Cc1cc(ccc1I)C(=O)O[C@@H](C#N)[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@H](C)Oc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@H](C)O[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@H](C)Oc1cccc(C#N)c1 CC(C)[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)NCCn1c(n[nH]c1=S)[*:1]
Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nn12 Clc1ccc(cc1)[*:1] Cc1nnc2sc(nn12)-c1cccc(c1)NC(=O)c1ccc(o1)[*:1]
Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nn12 Cc1nnc2sc(nn12)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(o1)-c1ccc(Cl)cc1
O=[N+]([O-])c1c([O-])ncnc1Sc1ccc(Cl)cc1 O=[N+]([O-])[*:1] [O-]c1ncnc(Sc2ccc(Cl)cc2)c1[*:1]
CC(C)CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] CC(C)CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(c(F)c1)[*:1]
CC(C)CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CC(C)CC[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])c1ccc(c(F)c1)S(C)(=O)=O
CC(C)CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CC(C)CC[C@@H](C)[*:1] C[C@H](NC(=O)N[*:1])c1ccc(c(F)c1)S(C)(=O)=O
CC(C)CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CC(C)[*:1] C[C@H](NC(=O)N[C@H](C)CC[*:1])c1ccc(c(F)c1)S(C)(=O)=O
CC(C)CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CC(C)C[*:1] C[C@H](NC(=O)N[C@H](C)C[*:1])c1ccc(c(F)c1)S(C)(=O)=O
COC[C@@H]1CCCN(C(=O)C(=O)Nc2nnc(CC(C)C)s2)C1 COC[*:1] CC(C)Cc1nnc(NC(=O)C(=O)N2CCC[C@H](C2)[*:1])s1
COC[C@@H]1CCCN(C(=O)C(=O)Nc2nnc(CC(C)C)s2)C1 CC(C)[*:1] COC[C@@H]1CCCN(C1)C(=O)C(=O)Nc1nnc(C[*:1])s1
COC[C@@H]1CCCN(C(=O)C(=O)Nc2nnc(CC(C)C)s2)C1 CC(C)C[*:1] COC[C@@H]1CCCN(C1)C(=O)C(=O)Nc1nnc(s1)[*:1]
COc1cccc([C@@H](NC(=O)c2cccs2)c2nccn2C)c1 c1csc(c1)[*:1] COc1cccc(c1)[C@@H](NC(=O)[*:1])c1nccn1C
COc1cccc([C@@H](NC(=O)c2cccs2)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@@H](NC(=O)c1cccs1)[*:1]
CCC[C@](C)(CO)NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 CCC[*:1] C[C@@H](NC(=O)N[C@](C)(CO)[*:1])c1nc(no1)C(C)(C)C
CCC[C@](C)(CO)NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 CCC[C@](C)(CO)[*:1] C[C@@H](NC(=O)N[*:1])c1nc(no1)C(C)(C)C
CCC[C@](C)(CO)NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] CCC[C@](C)(CO)NC(=O)N[C@H](C)c1nc(no1)[*:1]
C[C@H](CCn1cncn1)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] C[C@H](CCn1cncn1)[NH2+]Cc1ccn(n1)[*:1]
C[C@H](CCn1cncn1)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 c1ncn(n1)[*:1] C[C@H](CC[*:1])[NH2+]Cc1ccn(n1)-c1ccc(F)cc1
C[C@H](CCn1cncn1)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 c1ncn(C[*:1])n1 C[C@H](C[*:1])[NH2+]Cc1ccn(n1)-c1ccc(F)cc1
C[C@H](CCn1cncn1)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 c1ncn(CC[*:1])n1 C[C@H]([NH2+]Cc1ccn(n1)-c1ccc(F)cc1)[*:1]
O=S(=O)(Nc1ccc(I)cc1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=S(=O)(Nc1ccc(I)cc1)c1ccccc1[*:1]
O=S(=O)(Nc1ccc(I)cc1)c1ccccc1C(F)(F)F Ic1ccc(cc1)[*:1] O=S(=O)(N[*:1])c1ccccc1C(F)(F)F
CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1 CCOC(=O)[*:1] Cn1ccc2cc(ccc21)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccc(N2CCn3c2nnc(C(=O)NCc2cccs2)c3=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1cccs1)c1nnc2N(CCn2c1=O)[*:1]
Cc1ccc(N2CCn3c2nnc(C(=O)NCc2cccs2)c3=O)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1CCn2c1nnc(C(=O)NC[*:1])c2=O
Cc1ccc(N2CCn3c2nnc(C(=O)NCc2cccs2)c3=O)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)N1CCn2c1nnc(C(=O)N[*:1])c2=O
CCOc1cc(CNC(=O)Nc2cc(C)c(NC(C)=O)c(C)c2)ccn1 CCO[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)NCc1ccnc(c1)[*:1]
CCOc1cc(CNC(=O)Nc2cc(C)c(NC(C)=O)c(C)c2)ccn1 CC(=O)N[*:1] CCOc1cc(ccn1)CNC(=O)Nc1cc(C)c(c(C)c1)[*:1]
CCNC(=S)N/N=C\c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 O=C([O-])[*:1] CCNC(=S)N/N=C\c1ccc(o1)-c1ccc(c(Cl)c1)[*:1]
CC(=O)c1ccc(OCC(=O)Oc2c(Cl)cccc2Cl)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])Oc1c(Cl)cccc1Cl
CCC[C@H](C[NH3+])[C@](O)(CC)C1CC1 CCC[*:1] CC[C@](O)(C1CC1)[C@@H](C[NH3+])[*:1]
CCC[C@H](C[NH3+])[C@](O)(CC)C1CC1 C1CC1[*:1] CCC[C@H](C[NH3+])[C@](O)(CC)[*:1]
Cc1c(-c2nnc(Cc3ccccc3)o2)nnn1-c1cccc(Cl)c1 c1ccc(cc1)[*:1] Cc1c(nnn1-c1cccc(Cl)c1)-c1nnc(C[*:1])o1
Cc1c(-c2nnc(Cc3ccccc3)o2)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(nnn1[*:1])-c1nnc(Cc2ccccc2)o1
Cc1c(-c2nnc(Cc3ccccc3)o2)nnn1-c1cccc(Cl)c1 c1ccc(cc1)C[*:1] Cc1c(nnn1-c1cccc(Cl)c1)-c1nnc(o1)[*:1]
COc1cc(F)cc(CNC(=O)NCc2ccccc2CN2CCCC2=O)c1 COc1cc(F)cc(c1)[*:1] O=C(NCc1ccccc1CN1CCCC1=O)NC[*:1]
COc1cc(F)cc(CNC(=O)NCc2ccccc2CN2CCCC2=O)c1 O=C1CCCN1[*:1] COc1cc(F)cc(c1)CNC(=O)NCc1ccccc1C[*:1]
COc1cc(F)cc(CNC(=O)NCc2ccccc2CN2CCCC2=O)c1 O=C1CCCN1C[*:1] COc1cc(F)cc(c1)CNC(=O)NCc1ccccc1[*:1]
CC(C)C[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] CC(C)[*:1] O=[N+]([O-])c1ccc(F)cc1C[NH2+]C[*:1]
CC(C)C[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] CC(C)C[*:1] O=[N+]([O-])c1ccc(F)cc1C[NH2+][*:1]
CC(C)C[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)C[NH2+]Cc1cc(F)ccc1[*:1]
COc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C(=O)Nc1ccc(C)cc1[*:1]
COc1cc(C(=O)NCc2cccc(C#N)c2)cc(OC)c1OC N#Cc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)NC[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1c1ccc(C(N)=O)c(Cl)c1 NC(=O)[*:1] C[C@H]1[C@@H](CCN1c1ccc(c(Cl)c1)[*:1])C(=O)[O-]
C[C@H]1[C@H](C(=O)[O-])CCN1c1ccc(C(N)=O)c(Cl)c1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1c1ccc(C(N)=O)c(Cl)c1)[*:1]
CCc1nn(C)cc1NC(=O)N(CCC#N)CCC(F)(F)F FC(F)(F)C[*:1] CCc1nn(C)cc1NC(=O)N(CCC#N)C[*:1]
CCc1nn(C)cc1NC(=O)N(CCC#N)CCC(F)(F)F FC(F)(F)CC[*:1] CCc1nn(C)cc1NC(=O)N(CCC#N)[*:1]
CCc1nn(C)cc1NC(=O)N(CCC#N)CCC(F)(F)F N#CCC[*:1] CCc1nn(C)cc1NC(=O)N(CCC(F)(F)F)[*:1]
CCc1nn(C)cc1NC(=O)N(CCC#N)CCC(F)(F)F N#CC[*:1] CCc1nn(C)cc1NC(=O)N(CCC(F)(F)F)C[*:1]
CCc1nn(C)cc1NC(=O)N(CCC#N)CCC(F)(F)F FC(F)(F)[*:1] CCc1nn(C)cc1NC(=O)N(CCC#N)CC[*:1]
O=C(NCc1cn(-c2ccccc2)nn1)c1ccccc1F c1ccc(cc1)[*:1] O=C(NCc1cn(nn1)[*:1])c1ccccc1F
O=C(NCc1cn(-c2ccccc2)nn1)c1ccccc1F Fc1ccccc1[*:1] O=C(NCc1cn(nn1)-c1ccccc1)[*:1]
CC(C)NC(=O)Cn1c([C@@H](C)Cl)nc2cccnc21 CC(C)[*:1] C[C@@H](Cl)c1nc2cccnc2n1CC(=O)N[*:1]
CC(C)NC(=O)Cn1c([C@@H](C)Cl)nc2cccnc21 C[C@@H](Cl)[*:1] CC(C)NC(=O)Cn1c(nc2cccnc21)[*:1]
CC(C)NC(=O)Cn1c([C@@H](C)Cl)nc2cccnc21 CC(C)NC(=O)[*:1] C[C@@H](Cl)c1nc2cccnc2n1C[*:1]
CNC(=O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] CNC(=O)CNC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CNC(=O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 CNC(=O)CNC(=O)[*:1] Cc1ccc(cc1C)NS(=O)(=O)c1ccc(cc1)[*:1]
CNC(=O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 CNC(=O)C[*:1] Cc1ccc(cc1C)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CNC(=O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 CNC(=O)[*:1] Cc1ccc(cc1C)NS(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CNC(=O)CCCN(C)C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 CNC(=O)CC[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1ccc(cc1)-c1ccc(F)cc1
CNC(=O)CCCN(C)C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CNC(=O)CCCN(C)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CNC(=O)CCCN(C)C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 CNC(=O)[*:1] C[C@@H](NC(=O)N(C)CCC[*:1])c1ccc(cc1)-c1ccc(F)cc1
CNC(=O)CCCN(C)C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 CNC(=O)CCC[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccc(cc1)-c1ccc(F)cc1
CNC(=O)CCCN(C)C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 CNC(=O)C[*:1] C[C@@H](NC(=O)N(C)CC[*:1])c1ccc(cc1)-c1ccc(F)cc1
N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@H](C(=O)[C@@H]1CCCN(C1)C(=O)c1ccncc1)[*:1]
N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)c1ccccn1 c1cc(ccn1)[*:1] N#C[C@H](C(=O)[C@@H]1CCCN(C1)C(=O)[*:1])c1ccccn1
CCCc1cc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cs1 CCCc1cc(cs1)[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@H]1CCCN1C(=O)[*:1]
CCCc1cc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cs1 CCC[*:1] CC(=O)N1CCc2nc(ncc2C1)[C@H]1CCCN1C(=O)c1csc(c1)[*:1]
CC(C)(CNC(=O)Nc1ccc(-c2ccccc2)nn1)c1ccncc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)Nc1ccc(nn1)[*:1])c1ccncc1
CC(C)(CNC(=O)Nc1ccc(-c2ccccc2)nn1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)Nc1ccc(nn1)-c1ccccc1)[*:1]
Cc1sc2nc(CN3CCOCC3)nc(Sc3nnnn3C(C)C)c2c1C CC(C)n1nnnc1S[*:1] Cc1sc2nc(CN3CCOCC3)nc(c2c1C)[*:1]
Cc1sc2nc(CN3CCOCC3)nc(Sc3nnnn3C(C)C)c2c1C CC(C)n1nnnc1[*:1] Cc1sc2nc(CN3CCOCC3)nc(S[*:1])c2c1C
Cc1sc2nc(CN3CCOCC3)nc(Sc3nnnn3C(C)C)c2c1C C1CN(CCO1)C[*:1] Cc1sc2nc(nc(Sc3nnnn3C(C)C)c2c1C)[*:1]
Cc1sc2nc(CN3CCOCC3)nc(Sc3nnnn3C(C)C)c2c1C C1CN(CCO1)[*:1] Cc1sc2nc(C[*:1])nc(Sc3nnnn3C(C)C)c2c1C
Cc1sc2nc(CN3CCOCC3)nc(Sc3nnnn3C(C)C)c2c1C CC(C)[*:1] Cc1sc2nc(CN3CCOCC3)nc(Sc3nnnn3[*:1])c2c1C
C/[NH+]=C(/NC[C@@H](c1ccco1)[NH+](C)C)N1CCC[C@H](C)C1 c1coc(c1)[*:1] C/[NH+]=C(/NC[C@@H]([NH+](C)C)[*:1])N1CCC[C@H](C)C1
CN(CCS(C)(=O)=O)C(=O)Nc1cccc(C(=O)[O-])c1 CS(=O)(=O)CC[*:1] CN(C(=O)Nc1cccc(c1)C(=O)[O-])[*:1]
CN(CCS(C)(=O)=O)C(=O)Nc1cccc(C(=O)[O-])c1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)Nc1cccc(c1)C(=O)[O-]
CN(CCS(C)(=O)=O)C(=O)Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] CN(CCS(C)(=O)=O)C(=O)Nc1cccc(c1)[*:1]
CN(CCS(C)(=O)=O)C(=O)Nc1cccc(C(=O)[O-])c1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)C(=O)[O-]
COc1ccc(OCc2cccs2)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(OCc2cccs2)c(c1)[*:1]
COc1ccc(OCc2cccs2)c(C(=O)[O-])c1 c1csc(c1)[*:1] COc1ccc(OC[*:1])c(c1)C(=O)[O-]
COc1ccc(OCc2cccs2)c(C(=O)[O-])c1 c1csc(c1)C[*:1] COc1ccc(O[*:1])c(c1)C(=O)[O-]
CCC(CC)[C@@H](C(=O)[O-])c1ccccc1OC O=C([O-])[*:1] CCC(CC)[C@@H](c1ccccc1OC)[*:1]
CCC(CC)[C@@H](C(=O)[O-])c1ccccc1OC CCC(CC)[*:1] COc1ccccc1[C@H](C(=O)[O-])[*:1]
C[C@H](C[C@H]1CSc2ccccc21)C(=O)[O-] O=C([O-])[*:1] C[C@H](C[C@H]1CSc2ccccc21)[*:1]
CC(C)[NH+](CCCNC(=O)c1ccc2c(c1)OCO2)C(C)C CC(C)[*:1] CC(C)[NH+](CCCNC(=O)c1ccc2OCOc2c1)[*:1]
CSC1(C[NH2+][C@H](C)C(C)(C)C)CCOCC1 CC(C)(C)[*:1] CSC1(CCOCC1)C[NH2+][C@H](C)[*:1]
CCCCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O CCCC[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CCC(=O)N[*:1]
CCCCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O CCCCNC(=O)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CC[*:1]
CCCCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O CCC[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CCC(=O)NC[*:1]
Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 NC(=O)C[*:1] Cc1ccc2c(NC(=O)[C@@]23N[C@@H]([C@H]2C(=O)N(CCc4ccccc4)C(=O)[C@H]23)[*:1])c1C
Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 c1ccc(cc1)[*:1] Cc1ccc2c(NC(=O)[C@@]23N[C@@H](CC(N)=O)[C@H]2C(=O)N(CC[*:1])C(=O)[C@H]23)c1C
Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 c1ccc(cc1)C[*:1] Cc1ccc2c(NC(=O)[C@@]23N[C@@H](CC(N)=O)[C@H]2C(=O)N(C[*:1])C(=O)[C@H]23)c1C
Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 c1ccc(cc1)CC[*:1] Cc1ccc2c(NC(=O)[C@@]23N[C@@H](CC(N)=O)[C@H]2C(=O)N(C(=O)[C@H]23)[*:1])c1C
Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 NC(=O)[*:1] Cc1ccc2c(NC(=O)[C@@]23N[C@@H](C[*:1])[C@H]2C(=O)N(CCc4ccccc4)C(=O)[C@H]23)c1C
Cc1nn(C)cc1[C@@H](C)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C Clc1cccc(Cl)c1[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)c1c(noc1C)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C Cc1nn(C)cc1[*:1] Cc1onc(c1C(=O)N[C@H](C)[*:1])-c1c(Cl)cccc1Cl
CC(C)CO[C@H](C)c1noc(CN(C)C(=O)N[C@H]2CCc3ccccc32)n1 CC(C)CO[*:1] C[C@H](c1noc(CN(C)C(=O)N[C@H]2CCc3ccccc32)n1)[*:1]
CC(C)CO[C@H](C)c1noc(CN(C)C(=O)N[C@H]2CCc3ccccc32)n1 CC(C)[*:1] C[C@@H](OC[*:1])c1noc(CN(C)C(=O)N[C@H]2CCc3ccccc32)n1
CC(C)CO[C@H](C)c1noc(CN(C)C(=O)N[C@H]2CCc3ccccc32)n1 CC(C)CO[C@H](C)[*:1] CN(Cc1nc(no1)[*:1])C(=O)N[C@H]1CCc2ccccc21
CC(C)CO[C@H](C)c1noc(CN(C)C(=O)N[C@H]2CCc3ccccc32)n1 CC(C)C[*:1] C[C@@H](O[*:1])c1noc(CN(C)C(=O)N[C@H]2CCc3ccccc32)n1
CC(C)CO[C@H](C)c1noc(CN(C)C(=O)N[C@H]2CCc3ccccc32)n1 c1ccc2c(c1)CC[C@@H]2[*:1] CC(C)CO[C@H](C)c1noc(CN(C)C(=O)N[*:1])n1
CC(=O)COC(=O)c1cnc([C@H]2CCCO2)s1 CC(=O)[*:1] O=C(OC[*:1])c1cnc(s1)[C@H]1CCCO1
CC(=O)COC(=O)c1cnc([C@H]2CCCO2)s1 CC(=O)C[*:1] O=C(O[*:1])c1cnc(s1)[C@H]1CCCO1
CC(=O)COC(=O)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] CC(=O)COC(=O)c1cnc(s1)[*:1]
O=C(Nc1ccccc1F)N1CCC2(CC1)Oc1ccccc1C(=O)N2Cc1ccccc1F Fc1ccccc1[*:1] O=C(Nc1ccccc1F)N1CCC2(CC1)Oc1ccccc1C(=O)N2C[*:1]
O=C(Nc1ccccc1F)N1CCC2(CC1)Oc1ccccc1C(=O)N2Cc1ccccc1F Fc1ccccc1[*:1] O=C(N[*:1])N1CCC2(CC1)Oc1ccccc1C(=O)N2Cc1ccccc1F
O=C(Nc1ccccc1F)N1CCC2(CC1)Oc1ccccc1C(=O)N2Cc1ccccc1F Fc1ccccc1C[*:1] O=C(Nc1ccccc1F)N1CCC2(CC1)Oc1ccccc1C(=O)N2[*:1]
CC[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 O=C1OCCN1[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccc(cc1)[*:1]
CC(C)c1cc(C(=O)Nc2ccc3c(c2)COC3)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)Nc1ccc2COCc2c1
C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 N#Cc1ccc(cc1)[*:1] C[C@H](NC(=O)NC[*:1])c1cccc(c1)N1CCCC1=O
C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 N#Cc1ccc(cc1)C[*:1] C[C@H](NC(=O)N[*:1])c1cccc(c1)N1CCCC1=O
C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1cccc(c1)[*:1]
Clc1ccc2cccnc2c1CSCc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] Clc1ccc2cccnc2c1CSCc1nnnn1[*:1]
CCCc1cc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)n(C)n1 c1ccc(cc1)[*:1] CCCc1cc(NC(=O)N2CCO[C@@H](C2)[*:1])n(C)n1
CCCc1cc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)N1CCO[C@H](C1)c1ccccc1)[*:1]
CCN(CC(=O)Nc1ccccc1OC(F)F)c1cccc(F)c1 FC(F)O[*:1] CCN(CC(=O)Nc1ccccc1[*:1])c1cccc(F)c1
CCN(CC(=O)Nc1ccccc1OC(F)F)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(CC(=O)Nc1ccccc1OC(F)F)[*:1]
CCN(CC(=O)Nc1ccccc1OC(F)F)c1cccc(F)c1 FC(F)[*:1] CCN(CC(=O)Nc1ccccc1O[*:1])c1cccc(F)c1
Cc1cc(C(=O)NCCCn2c(C)nc3ccccc32)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)NCCCn2c(C)nc3ccccc32)c(C)n1[*:1]
CSC[C@H](C)NC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 CSC[C@H](C)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)N[*:1]
CSC[C@H](C)NC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CSC[C@H](C)NC(=O)[C@H]1CCC(=O)N1C[*:1]
CSC[C@H](C)NC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 CSC[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)N[C@@H](C)[*:1]
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(-n2ccnn2)cc1 Clc1ccc(cc1)C[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)-n1ccnn1
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(-n2ccnn2)cc1 Clc1ccc(cc1)[*:1] O=C(C[*:1])NNC(=O)c1ccc(cc1)-n1ccnn1
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(cc1)[*:1]
CC1(C)C(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1(C)C NC(=O)[*:1] CC1(C)C(C(=O)N2CCN(CC2)c2ncccc2[*:1])C1(C)C
CC1(C)C(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1(C)C CC1(C)C(C1(C)C)[*:1] NC(=O)c1cccnc1N1CCN(CC1)C(=O)[*:1]
C=CCN(CCc1ccco1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCN(CCc1ccco1)C(=O)[C@H]1C[C@@H]1[*:1]
C=CCN(CCc1ccco1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 c1coc(c1)[*:1] C=CCN(CC[*:1])C(=O)[C@H]1C[C@H]1c1ccc(F)cc1
C=CCN(CCc1ccco1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 c1coc(c1)CC[*:1] C=CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)[*:1]
C=CCN(CCc1ccco1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 C=CC[*:1] O=C([C@H]1C[C@H]1c1ccc(F)cc1)N(CCc1ccco1)[*:1]
C=CCN(CCc1ccco1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 c1coc(c1)C[*:1] C=CCN(C[*:1])C(=O)[C@H]1C[C@H]1c1ccc(F)cc1
CC(C)c1nc(CN(C)C(=O)c2ccc(-c3cccc(F)c3)nc2)cs1 Fc1cccc(c1)[*:1] CC(C)c1nc(cs1)CN(C)C(=O)c1ccc(nc1)[*:1]
CC(C)c1nc(CN(C)C(=O)c2ccc(-c3cccc(F)c3)nc2)cs1 CC(C)c1nc(cs1)[*:1] CN(C[*:1])C(=O)c1ccc(nc1)-c1cccc(F)c1
CC(C)c1nc(CN(C)C(=O)c2ccc(-c3cccc(F)c3)nc2)cs1 CC(C)[*:1] CN(Cc1csc(n1)[*:1])C(=O)c1ccc(nc1)-c1cccc(F)c1
N[C@H]([C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)F FC(F)(F)[*:1] N[C@H]([C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21)[*:1]
N[C@H]([C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)F O=C([O-])[*:1] N[C@H]([C@@H](C(=O)OCC1c2ccccc2-c2ccccc21)[*:1])C(F)(F)F
CN(CC(=O)OCC(=O)NC1CCCCCCC1)c1ccc(C#N)cn1 N#Cc1ccc(nc1)[*:1] CN(CC(=O)OCC(=O)NC1CCCCCCC1)[*:1]
CN(CC(=O)OCC(=O)NC1CCCCCCC1)c1ccc(C#N)cn1 C1CCCC(CCC1)[*:1] CN(CC(=O)OCC(=O)N[*:1])c1ccc(C#N)cn1
C[C@H](C#N)C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 C[C@H](C#N)[*:1] C1C[C@@H]2CO[C@H](C[NH2+]C[*:1])CN2C1
COc1ccc(NC(=O)c2ccccc2NC(=O)c2cnccn2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1cnccn1
COc1ccc(NC(=O)c2ccccc2NC(=O)c2cnccn2)cc1 c1cnc(cn1)[*:1] COc1ccc(cc1)NC(=O)c1ccccc1NC(=O)[*:1]
C=CCC[C@@H](C)OC(=O)/C=C/c1c(C)nn(C)c1Cl C=CC[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)O[C@H](C)C[*:1]
C=CCC[C@@H](C)OC(=O)/C=C/c1c(C)nn(C)c1Cl C=CCC[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)O[C@H](C)[*:1]
C=CCC[C@@H](C)OC(=O)/C=C/c1c(C)nn(C)c1Cl C=CCC[C@@H](C)[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)O[*:1]
Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c(C)c1 O=C([O-])[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N[C@H]1C=C[C@@H](C1)[*:1]
COc1ccc(/C=C2\N=C(c3ccccc3)N(NC(=O)c3ccoc3C)C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(/C=C2\N=C(N(NC(=O)c3ccoc3C)C2=O)[*:1])cc1
COc1ccc(/C=C2\N=C(c3ccccc3)N(NC(=O)c3ccoc3C)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1occc1C(=O)NN1C(=O)C(=C[*:1])N=C1c1ccccc1
COc1ccc(/C=C2\N=C(c3ccccc3)N(NC(=O)c3ccoc3C)C2=O)cc1 Cc1occc1[*:1] COc1ccc(/C=C2\N=C(c3ccccc3)N(NC(=O)[*:1])C2=O)cc1
CC(=O)Nc1cccc(C(=O)/N=C(/[N-]Cc2ccncc2)Nc2cccc(Br)c2)c1 CC(=O)N[*:1] O=C(/N=C(/[N-]Cc1ccncc1)Nc1cccc(Br)c1)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)/N=C(/[N-]Cc2ccncc2)Nc2cccc(Br)c2)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(/N=C(/[N-]Cc1ccncc1)Nc1cccc(Br)c1)[*:1]
CC(=O)Nc1cccc(C(=O)/N=C(/[N-]Cc2ccncc2)Nc2cccc(Br)c2)c1 c1cc(ccn1)[*:1] CC(=O)Nc1cccc(c1)C(=O)/N=C(/[N-]C[*:1])Nc1cccc(Br)c1
CC(=O)Nc1cccc(C(=O)/N=C(/[N-]Cc2ccncc2)Nc2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] CC(=O)Nc1cccc(c1)C(=O)/N=C(/[N-]Cc1ccncc1)N[*:1]
Cc1c(CC(=O)NCc2ccncn2)c2c(n1Cc1ccccc1)CCCC2=O c1cc(ncn1)[*:1] Cc1c(CC(=O)NC[*:1])c2C(=O)CCCc2n1Cc1ccccc1
Cc1c(CC(=O)NCc2ccncn2)c2c(n1Cc1ccccc1)CCCC2=O c1ccc(cc1)[*:1] Cc1c(CC(=O)NCc2ccncn2)c2C(=O)CCCc2n1C[*:1]
Cc1c(CC(=O)NCc2ccncn2)c2c(n1Cc1ccccc1)CCCC2=O c1cc(C[*:1])ncn1 Cc1c(CC(=O)N[*:1])c2C(=O)CCCc2n1Cc1ccccc1
Cc1c(CC(=O)NCc2ccncn2)c2c(n1Cc1ccccc1)CCCC2=O c1ccc(cc1)C[*:1] Cc1c(CC(=O)NCc2ccncn2)c2C(=O)CCCc2n1[*:1]
CCN(Cc1ccccn1)C(=O)c1csc(CCc2ccccc2)n1 c1ccc(cc1)CC[*:1] CCN(Cc1ccccn1)C(=O)c1csc(n1)[*:1]
CCN(Cc1ccccn1)C(=O)c1csc(CCc2ccccc2)n1 c1ccc(cc1)[*:1] CCN(Cc1ccccn1)C(=O)c1csc(CC[*:1])n1
CCN(Cc1ccccn1)C(=O)c1csc(CCc2ccccc2)n1 c1ccc(cc1)C[*:1] CCN(Cc1ccccn1)C(=O)c1csc(C[*:1])n1
CCN(Cc1ccccn1)C(=O)c1csc(CCc2ccccc2)n1 c1ccc(C[*:1])nc1 CCN(C(=O)c1csc(CCc2ccccc2)n1)[*:1]
CCN(Cc1ccccn1)C(=O)c1csc(CCc2ccccc2)n1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1csc(CCc2ccccc2)n1
O=C(NC1CCCCCCC1)c1cn(CCc2ccccn2)cc(C(=O)N2CCCC[C@@H]2CO)c1=O c1ccc(C[*:1])nc1 O=C(NC1CCCCCCC1)c1cn(cc(C(=O)N2CCCC[C@@H]2CO)c1=O)C[*:1]
O=C(NC1CCCCCCC1)c1cn(CCc2ccccn2)cc(C(=O)N2CCCC[C@@H]2CO)c1=O c1ccc(CC[*:1])nc1 O=C(NC1CCCCCCC1)c1cn(cc(C(=O)N2CCCC[C@@H]2CO)c1=O)[*:1]
O=C(NC1CCCCCCC1)c1cn(CCc2ccccn2)cc(C(=O)N2CCCC[C@@H]2CO)c1=O O=C(NC1CCCCCCC1)[*:1] O=C(c1cn(cc(c1=O)[*:1])CCc1ccccn1)N1CCCC[C@@H]1CO
O=C(NC1CCCCCCC1)c1cn(CCc2ccccn2)cc(C(=O)N2CCCC[C@@H]2CO)c1=O C1CCCC(CCC1)[*:1] O=C(N[*:1])c1cn(cc(C(=O)N2CCCC[C@@H]2CO)c1=O)CCc1ccccn1
O=C(NC1CCCCCCC1)c1cn(CCc2ccccn2)cc(C(=O)N2CCCC[C@@H]2CO)c1=O c1ccc(nc1)[*:1] O=C(NC1CCCCCCC1)c1cn(cc(C(=O)N2CCCC[C@@H]2CO)c1=O)CC[*:1]
CCCn1ccnc1-c1nc(Cl)ncc1F CCC[*:1] Fc1cnc(Cl)nc1-c1nccn1[*:1]
Cc1ccc(CNC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 Cc1ccc(cc1)C[*:1] O=C1C[C@H](Cc2ccc(cc2)NC(=O)N[*:1])C(=O)N1
Cc1ccc(CNC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](Cc2ccc(cc2)NC(=O)NC[*:1])C(=O)N1
CC(C)(CO)NC(=O)Nc1cccc(-c2nnco2)c1 c1nnc(o1)[*:1] CC(C)(CO)NC(=O)Nc1cccc(c1)[*:1]
CC(C)(CO)NC(=O)Nc1cccc(-c2nnco2)c1 CC(C)(CO)[*:1] O=C(Nc1cccc(c1)-c1nnco1)N[*:1]
CC(C)c1ccccc1NC(=O)C[n+]1cn(Cc2ccccc2)c2ccccc21 c1ccc(cc1)C[*:1] CC(C)c1ccccc1NC(=O)C[n+]1cn(c2ccccc21)[*:1]
CC(C)c1ccccc1NC(=O)C[n+]1cn(Cc2ccccc2)c2ccccc21 CC(C)c1ccccc1[*:1] O=C(C[n+]1cn(Cc2ccccc2)c2ccccc21)N[*:1]
CC(C)c1ccccc1NC(=O)C[n+]1cn(Cc2ccccc2)c2ccccc21 CC(C)[*:1] O=C(C[n+]1cn(Cc2ccccc2)c2ccccc21)Nc1ccccc1[*:1]
CC(C)c1ccccc1NC(=O)C[n+]1cn(Cc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CC(C)c1ccccc1NC(=O)C[n+]1cn(C[*:1])c2ccccc21
COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OC)c(OC)c2)Nc2nnnn21 COc1ccc(cc1OC)[*:1] COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](Nc2nnnn21)[*:1]
COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OC)c(OC)c2)Nc2nnnn21 O=C(c1ccccc1)[*:1] COC(=O)C1=C([C@H](Nc2nnnn21)c1ccc(OC)c(c1)OC)[*:1]
COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OC)c(OC)c2)Nc2nnnn21 c1ccc(cc1)[*:1] COC(=O)C1=C(C(=O)[*:1])[C@H](Nc2nnnn21)c1ccc(OC)c(c1)OC
COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OC)c(OC)c2)Nc2nnnn21 COC(=O)[*:1] COc1ccc(cc1OC)[C@H]1Nc2nnnn2C(=C1C(=O)c1ccccc1)[*:1]
COC(=O)C(C)(C)N[C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 COC(=O)[*:1] CC(C)(N[C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[*:1]
CCC[NH2+][C@H](Cc1nccs1)c1ccc2ccccc2c1 c1csc(n1)[*:1] CCC[NH2+][C@H](C[*:1])c1ccc2ccccc2c1
CCC[NH2+][C@H](Cc1nccs1)c1ccc2ccccc2c1 c1csc(C[*:1])n1 CCC[NH2+][C@H](c1ccc2ccccc2c1)[*:1]
CCC[NH2+][C@H](Cc1nccs1)c1ccc2ccccc2c1 CCC[*:1] c1ccc2cc(ccc2c1)[C@@H](Cc1nccs1)[NH2+][*:1]
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 NC(=O)c1nnn(n1)[*:1] C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 NC(=O)[*:1] C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(cc1)-n1nnc(n1)[*:1]
Fc1cccc(F)c1[C@H]1CC[NH2+]C[C@H]1c1ccccc1Br Brc1ccccc1[*:1] Fc1cccc(F)c1[C@H]1CC[NH2+]C[C@@H]1[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(-n3cncn3)cc2)C1 CCCCNC(=O)[*:1] O=C(NCc1ccc(cc1)-n1cncn1)N1CCC[C@H](C1)[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(-n3cncn3)cc2)C1 c1ncn(n1)[*:1] CCCCNC(=O)[C@@H]1CCCN(C1)C(=O)NCc1ccc(cc1)[*:1]
CCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(-n3cncn3)cc2)C1 CCC[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)NCc1ccc(cc1)-n1cncn1
CCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(-n3cncn3)cc2)C1 CCCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)NCc1ccc(cc1)-n1cncn1
CCc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCC(C)CC3)c3ccccc32)cc1 CC1CCN(CC1)C(=O)[*:1] CCc1ccc(cc1)NC(=O)Cn1c(=O)cc(c2ccccc21)[*:1]
CCc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCC(C)CC3)c3ccccc32)cc1 CCc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1cc(=O)n(CC(=O)N[*:1])c2ccccc12
O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21)N1CCCC1 O=C(N1CCCC1)[*:1] O=c1c2oc3ccccc3c2n(C[*:1])c(=O)n1-c1ccccc1
O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21)N1CCCC1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)n(c(=O)c2oc3ccccc3c21)[*:1])N1CCCC1
O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21)N1CCCC1 O=C(C[*:1])N1CCCC1 O=c1c2oc3ccccc3c2n(c(=O)n1-c1ccccc1)[*:1]
C[C@@H]1C[C@@H](Nc2ccc(NC(N)=O)cc2)CS1 NC(=O)N[*:1] C[C@@H]1C[C@H](CS1)Nc1ccc(cc1)[*:1]
C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H](C)Oc1cccc(Cl)c1 CN(C)C(=O)C[*:1] C[C@H](C[NH2+][C@@H](C)[*:1])Oc1cccc(Cl)c1
C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H](C)Oc1cccc(Cl)c1 CN(C)C(=O)[*:1] C[C@H](C[*:1])[NH2+]C[C@@H](C)Oc1cccc(Cl)c1
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NC1(c2noc(C)n2)CCCC1 Cc1nc(no1)[*:1] CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NC1(CCCC1)[*:1]
CCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(OC)cc2)S1 CCOc1ccccc1[*:1] COc1ccc(cc1)C[C@@H]1S/C(=N/N=C[*:1])NC1=O
CCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(OC)cc2)S1 COc1ccc(cc1)[*:1] CCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](C[*:1])S1
CCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(OC)cc2)S1 CCO[*:1] COc1ccc(cc1)C[C@@H]1S/C(=N/N=C/c2ccccc2[*:1])NC1=O
CCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(OC)cc2)S1 COc1ccc(cc1)C[*:1] CCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](S1)[*:1]
COCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C COC[*:1] CC1Cn2c(nc3c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n3C)N(C[*:1])N=1
COCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C Fc1cccc(Cl)c1C[*:1] COCCN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
COCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C Fc1cccc(Cl)c1[*:1] COCCN1N=C(C)Cn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
COCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C COCC[*:1] CC1Cn2c(nc3c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n3C)N(N=1)[*:1]
O=C(NCCc1ccccc1F)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O Fc1ccccc1CC[*:1] O=C(N[*:1])c1ccc2C(=O)O[C@@H](Cc2c1)c1ccccc1
O=C(NCCc1ccccc1F)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O c1ccc(cc1)[*:1] O=C(NCCc1ccccc1F)c1ccc2C(=O)O[C@H](Cc2c1)[*:1]
O=C(NCCc1ccccc1F)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O Fc1ccccc1[*:1] O=C(NCC[*:1])c1ccc2C(=O)O[C@@H](Cc2c1)c1ccccc1
O=C(NCCc1ccccc1F)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O Fc1ccccc1C[*:1] O=C(NC[*:1])c1ccc2C(=O)O[C@@H](Cc2c1)c1ccccc1
CN[C@H](C#N)CSC[C@@H](O)CO OC[C@H](O)[*:1] CN[C@H](C#N)CSC[*:1]
CCOc1cccc(CNC(=O)c2cc(C#N)cs2)c1 CCO[*:1] N#Cc1csc(c1)C(=O)NCc1cccc(c1)[*:1]
CC(C)=C1SC(=O)N(CC(=O)Nc2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)=C1SC(=O)N(CC(=O)N[*:1])C1=O
Cc1cc([N+](=O)[O-])ccc1C(=O)OCCNc1ncnc2ccccc12 O=[N+]([O-])[*:1] Cc1cc(ccc1C(=O)OCCNc1ncnc2ccccc12)[*:1]
CC[C@@H](CSC)N(C)C(=O)Nc1cc(F)cc(F)c1 CSC[*:1] CC[C@@H](N(C)C(=O)Nc1cc(F)cc(F)c1)[*:1]
C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 C=C(C)C[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 C=C(C)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 COc1ccc(cc1)[*:1] C=C(C)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)Cn1ccnc(N2CC[C@H](Oc3cccnc3)C2)c1=O c1cncc(c1)O[*:1] CC(C)Cn1ccnc(c1=O)N1CC[C@H](C1)[*:1]
CC(C)Cn1ccnc(N2CC[C@H](Oc3cccnc3)C2)c1=O CC(C)C[*:1] O=c1c(nccn1[*:1])N1CC[C@@H](C1)Oc1cccnc1
CC(C)Cn1ccnc(N2CC[C@H](Oc3cccnc3)C2)c1=O c1cncc(c1)[*:1] CC(C)Cn1ccnc(c1=O)N1CC[C@@H](C1)O[*:1]
CC(C)Cn1ccnc(N2CC[C@H](Oc3cccnc3)C2)c1=O CC(C)[*:1] O=c1c(nccn1C[*:1])N1CC[C@@H](C1)Oc1cccnc1
CC(=O)Nc1c(C)cc(NC(=O)N[C@@H](C)C(C)(C)C)cc1C CC(C)(C)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N[C@@H](C)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N[C@@H](C)C(C)(C)C)cc1C C[C@@H](C(C)(C)C)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N[C@@H](C)C(C)(C)C)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)N[C@@H](C)C(C)(C)C
CC(C)[C@@H](NC(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccc2c(c1)OCCCO2 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CSc1nc(n[nH]1)[*:1])c1ccc2OCCCOc2c1
CC(C)[C@@H](NC(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccc2c(c1)OCCCO2 CC(C)[*:1] O=C(CSc1nc(n[nH]1)-c1ccccc1)N[C@@H](c1ccc2OCCCOc2c1)[*:1]
FC(F)(F)c1ccccc1COc1cc(Cl)ccn1 FC(F)(F)[*:1] Clc1ccnc(c1)OCc1ccccc1[*:1]
COC(=O)C1=C(CN2CCN(c3ccc(Cl)cc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)C1=C(CN2CCN(CC2)c2ccc(Cl)cc2)NC(=O)N[C@H]1[*:1]
COC(=O)C1=C(CN2CCN(c3ccc(Cl)cc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 Clc1ccc(cc1)[*:1] COC(=O)C1=C(CN2CCN(CC2)[*:1])NC(=O)N[C@@H]1c1ccc(cc1)OC
COC(=O)C1=C(CN2CCN(c3ccc(Cl)cc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@H]1NC(=O)NC(CN2CCN(CC2)c2ccc(Cl)cc2)=C1[*:1]
C[C@H]1OCC[C@@H]1C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 C1CC1[*:1] C[C@H]1OCC[C@@H]1C(=O)N(Cc1ccc(cc1)C(F)(F)F)[*:1]
C[C@H]1OCC[C@@H]1C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 FC(F)(F)[*:1] C[C@H]1OCC[C@@H]1C(=O)N(Cc1ccc(cc1)[*:1])C1CC1
C[C@@H](Oc1ccc(C=O)cc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(C=O)cc1)C(=O)N[*:1]
N#CCCN(CC1CC1)C(=O)c1cnc([C@H]2CCCO2)s1 N#CC[*:1] O=C(c1cnc(s1)[C@H]1CCCO1)N(CC1CC1)C[*:1]
N#CCCN(CC1CC1)C(=O)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] N#CCCN(CC1CC1)C(=O)c1cnc(s1)[*:1]
N#CCCN(CC1CC1)C(=O)c1cnc([C@H]2CCCO2)s1 C1CC1[*:1] N#CCCN(C[*:1])C(=O)c1cnc(s1)[C@H]1CCCO1
N#CCCN(CC1CC1)C(=O)c1cnc([C@H]2CCCO2)s1 N#CCC[*:1] O=C(c1cnc(s1)[C@H]1CCCO1)N(CC1CC1)[*:1]
N#CCCN(CC1CC1)C(=O)c1cnc([C@H]2CCCO2)s1 C1CC1C[*:1] N#CCCN(C(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
CC(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C CC(=O)N[C@@H](C)[*:1] C[C@H]1Cc2ccccc2N1C(=O)[*:1]
CC(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C CC(=O)N[*:1] C[C@H]1Cc2ccccc2N1C(=O)[C@H](C)[*:1]
O=C(CSC1=NCCS1)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(CSC1=NCCS1)Nc1ccc(cc1)O[*:1]
O=C(CSC1=NCCS1)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] O=C(CSC1=NCCS1)Nc1ccc(cc1)[*:1]
O=C(CSC1=NCCS1)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CSC1=NCCS1)Nc1ccc(cc1)OC[*:1]
Cc1ccc(S(=O)(=O)NC(C)(C)C(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)S(=O)(=O)NC(C)(C)C(=O)Oc1ccc2c(cc(=O)oc2c1)[*:1]
Cc1ccc(S(=O)(=O)NC(C)(C)C(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 Cc1ccc(cc1)[*:1] CC(C)(NS(=O)(=O)[*:1])C(=O)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F
CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc2ccccc2c1 CCO[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1[*:1]
CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc2ccccc2c1 CCOc1ccccc1[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=C[*:1]
CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 CC(C)[*:1] C[C@H](NC(=O)[C@H](C)S(=O)(=O)[*:1])c1ccc2ccccc2c1
CC(C)S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 CC(C)S(=O)(=O)[*:1] C[C@H](NC(=O)[C@H](C)[*:1])c1ccc2ccccc2c1
CCc1ccccc1N1C[C@@H](C(=O)OCc2nc(C3CC3)cs2)CC1=O C1CC1[*:1] CCc1ccccc1N1C[C@H](CC1=O)C(=O)OCc1nc(cs1)[*:1]
CCc1ccccc1N1C[C@@H](C(=O)OCc2nc(C3CC3)cs2)CC1=O CCc1ccccc1[*:1] O=C(OCc1nc(cs1)C1CC1)[C@H]1CC(=O)N(C1)[*:1]
CCc1ccccc1N1C[C@@H](C(=O)OCc2nc(C3CC3)cs2)CC1=O c1sc(nc1C1CC1)[*:1] CCc1ccccc1N1C[C@H](CC1=O)C(=O)OC[*:1]
CSc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 CSc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)c1ccc(Cl)nn1)[*:1]
CSc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 Clc1ccc(nn1)[*:1] CSc1ccc(cc1)[C@@H](C)NC(=O)[C@@H]1CCCN(C1)[*:1]
CN(C(=O)c1cc(-c2ccc(O)cc2)n[nH]1)[C@H]1CCCc2ccccc21 Oc1ccc(cc1)[*:1] CN(C(=O)c1cc(n[nH]1)[*:1])[C@H]1CCCc2ccccc21
CCOc1ccc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)N(C)[C@H]1CCCN(C1)c1ccccc1
CCOc1ccc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)cc1OCC c1ccc(cc1)[*:1] CCOc1ccc(cc1OCC)C(=O)N(C)[C@H]1CCCN(C1)[*:1]
CCOc1ccc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)N(C)[C@H]1CCCN(C1)c1ccccc1
O=C/C(=C\NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3)c1nc2cc(Cl)ccc2o1 Clc1ccc2oc(nc2c1)[*:1] O=C/C(=C\NN1C(=O)c2ccc3CCc4ccc(C1=O)c2c34)[*:1]
C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccncc1Cl Clc1cnccc1[*:1] C=CCN1C(=O)/C(=C/c2ccccc2)SC1=N[*:1]
C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccncc1Cl c1ccc(cc1)[*:1] C=CCN1C(=O)C(=C[*:1])S/C1=N\c1ccncc1Cl
C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccncc1Cl C=CC[*:1] O=C1/C(=C/c2ccccc2)S/C(=N\c2ccncc2Cl)N1[*:1]
O=C(Nc1ccccc1)NC1CCN(Cc2ncccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(Nc1ccccc1)NC1CCN(CC1)Cc1ncccc1[*:1]
O=C(Nc1ccccc1)NC1CCN(Cc2ncccc2C(F)(F)F)CC1 c1ccc(cc1)[*:1] O=C(NC1CCN(CC1)Cc1ncccc1C(F)(F)F)N[*:1]
CC(=O)Nc1cc(NC(=O)Cn2nnc3ccccc32)ccc1F CC(=O)N[*:1] O=C(Cn1nnc2ccccc21)Nc1ccc(F)c(c1)[*:1]
Nc1nc2cccnc2n1CCc1cscn1 c1nc(cs1)[*:1] Nc1nc2cccnc2n1CC[*:1]
O=C1O[C@@H](C(=O)Nc2ccccc2N2CCCCC2)Cc2ccccc21 C1CCN(CC1)[*:1] O=C1O[C@H](Cc2ccccc21)C(=O)Nc1ccccc1[*:1]
CC[C@H](C)[NH2+][C@]1(C[NH3+])CCCCC1(C)C CC[C@H](C)[*:1] CC1(C)CCCC[C@@]1(C[NH3+])[NH2+][*:1]
O=C(N/N=C/c1c(N2CCCC2)nc2ccccn2c1=O)c1ccccc1O Oc1ccccc1[*:1] O=C(N/N=C/c1c(nc2ccccn2c1=O)N1CCCC1)[*:1]
O=C(N/N=C/c1c(N2CCCC2)nc2ccccn2c1=O)c1ccccc1O C1CCN(C1)[*:1] O=C(N/N=C/c1c(nc2ccccn2c1=O)[*:1])c1ccccc1O
O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=S(=O)(C(F)F)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(c(c1)[*:1])N1CCCC1
O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 FC(F)[*:1] O=C(Nc1ccccc1S(=O)(=O)[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
CC(C)c1cnc(NC(=O)[C@@H](C)Sc2ccccn2)s1 c1ccc(nc1)[*:1] CC(C)c1cnc(NC(=O)[C@@H](C)S[*:1])s1
CC(C)c1cnc(NC(=O)[C@@H](C)Sc2ccccn2)s1 CC(C)[*:1] C[C@@H](Sc1ccccn1)C(=O)Nc1ncc(s1)[*:1]
CNS(=O)(=O)CC(=O)NCCc1ccc(-n2cccn2)cc1 CNS(=O)(=O)[*:1] O=C(C[*:1])NCCc1ccc(cc1)-n1cccn1
CNS(=O)(=O)CC(=O)NCCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CNS(=O)(=O)CC(=O)NCCc1ccc(cc1)[*:1]
CNS(=O)(=O)CC(=O)NCCc1ccc(-n2cccn2)cc1 CNS(=O)(=O)C[*:1] O=C(NCCc1ccc(cc1)-n1cccn1)[*:1]
COCCN(C)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] COCCN(C)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
COCCN(C)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 COC[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1ccc(cc1)NC(=O)NC1CC1
COCCN(C)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 COCC[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccc(cc1)NC(=O)NC1CC1
COCCN(C)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] COCCN(C)C(=O)N[C@H](C)c1ccc(cc1)NC(=O)N[*:1]
C[C@H](CCl)CS(=O)(=O)N[C@H](C)c1nnn[n-]1 C[C@H](CCl)C[*:1] C[C@@H](NS(=O)(=O)[*:1])c1nnn[n-]1
C[C@H](CCl)CS(=O)(=O)N[C@H](C)c1nnn[n-]1 C[C@H](CCl)[*:1] C[C@@H](NS(=O)(=O)C[*:1])c1nnn[n-]1
O=C(/C=C/c1nc2ccccc2s1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(/C=C/c1nc2ccccc2s1)N[*:1]
CN(CC(=O)[O-])c1[nH]c2ccc(N)cc2[nH+]1 O=C([O-])[*:1] CN(C[*:1])c1[nH]c2ccc(N)cc2[nH+]1
CN(CC(=O)[O-])c1[nH]c2ccc(N)cc2[nH+]1 O=C([O-])C[*:1] CN(c1[nH]c2ccc(N)cc2[nH+]1)[*:1]
Cc1cc(C)n(CC(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)c(=O)c1C#N C[C@H]1CCCN(C1)C(=O)[*:1] Cc1cc(C)n(CC(=O)Nc2ccc(cc2)[*:1])c(=O)c1C#N
C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccs2)C2CC2)C1 c1csc(c1)[*:1] C[NH+](C)[C@@H]1CCC[C@H](C1)[NH2+][C@@H](C1CC1)[*:1]
C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccs2)C2CC2)C1 C1CC1[*:1] C[NH+](C)[C@@H]1CCC[C@H](C1)[NH2+][C@@H](c1cccs1)[*:1]
CCCCN1C(=O)[C@@H]2[C@H](CC3=c4ccccc4=[NH+]C3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O CCCC[*:1] O=C1[C@@H]2[C@H](CC3C[NH+]=c4ccccc4=3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1[*:1]
CCCCN1C(=O)[C@@H]2[C@H](CC3=c4ccccc4=[NH+]C3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O CCC[*:1] O=C1[C@@H]2[C@H](CC3C[NH+]=c4ccccc4=3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1C[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H](OCC[NH3+])C1 [NH3+]CC[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)O[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H](OCC[NH3+])C1 CS(=O)(=O)[*:1] [NH3+]CCO[C@@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H](OCC[NH3+])C1 [NH3+]CCO[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)[*:1]
CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H]([NH2+]C1CCN(CC1)S(=O)(=O)C1CC1)[*:1]
CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(C)cc1 C1CC1[*:1] CC[C@@H]([NH2+]C1CCN(CC1)S(=O)(=O)[*:1])c1ccc(C)cc1
O=C(NCCOc1ncccc1C(F)(F)F)c1c(O)cccc1O FC(F)(F)[*:1] O=C(NCCOc1ncccc1[*:1])c1c(O)cccc1O
O=C(NCCOc1ncccc1C(F)(F)F)c1c(O)cccc1O Oc1cccc(O)c1[*:1] O=C(NCCOc1ncccc1C(F)(F)F)[*:1]
CCOC(=O)C1(O)CCN(C(=O)Nc2cccc(F)c2F)CC1 CCOC(=O)[*:1] O=C(Nc1cccc(F)c1F)N1CCC(O)(CC1)[*:1]
COC(C)(C)CNC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F COC(C)(C)[*:1] C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NC[*:1]
COC(C)(C)CNC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F FC(F)(F)[*:1] COC(C)(C)CNC(=O)[C@@H](C)Oc1ccccc1[*:1]
COC(C)(C)CNC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F COC(C)(C)C[*:1] C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[*:1]
NC(=O)C[C@@H](NC(=O)c1cccc(C(=O)N2CCCC2)n1)C1CCCCC1 C1CCC(CC1)[*:1] NC(=O)C[C@@H](NC(=O)c1cccc(n1)C(=O)N1CCCC1)[*:1]
NC(=O)C[C@@H](NC(=O)c1cccc(C(=O)N2CCCC2)n1)C1CCCCC1 O=C(N1CCCC1)[*:1] NC(=O)C[C@@H](NC(=O)c1cccc(n1)[*:1])C1CCCCC1
NC(=O)C[C@@H](NC(=O)c1cccc(C(=O)N2CCCC2)n1)C1CCCCC1 NC(=O)[*:1] O=C(N[C@H](C[*:1])C1CCCCC1)c1cccc(n1)C(=O)N1CCCC1
NC(=O)C[C@@H](NC(=O)c1cccc(C(=O)N2CCCC2)n1)C1CCCCC1 NC(=O)C[*:1] O=C(N[C@@H](C1CCCCC1)[*:1])c1cccc(n1)C(=O)N1CCCC1
CCOC(=O)/C=C(/C)Sc1cc(O)c2ccccc2c1O CCOC(=O)[*:1] CC(=C[*:1])Sc1cc(O)c2ccccc2c1O
CCOc1cc(NC(=O)c2c(C(=O)[O-])cnn2C)ccc1OC(F)F FC(F)[*:1] CCOc1cc(ccc1O[*:1])NC(=O)c1c(cnn1C)C(=O)[O-]
CCOc1cc(NC(=O)c2c(C(=O)[O-])cnn2C)ccc1OC(F)F O=C([O-])[*:1] CCOc1cc(ccc1OC(F)F)NC(=O)c1c(cnn1C)[*:1]
CCOc1cc(NC(=O)c2c(C(=O)[O-])cnn2C)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(ccc1[*:1])NC(=O)c1c(cnn1C)C(=O)[O-]
CCOc1cc(NC(=O)c2c(C(=O)[O-])cnn2C)ccc1OC(F)F CCO[*:1] Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(OC(F)F)c(c1)[*:1]
C[C@@]1([C@@H](O)C2CC2)CCCO1 C1CC1[*:1] C[C@]1(CCCO1)[C@@H](O)[*:1]
CCc1ccccc1NC(=O)COc1cccc2ccc(C)nc12 CCc1ccccc1[*:1] Cc1ccc2cccc(OCC(=O)N[*:1])c2n1
Cc1ccccc1-n1ncc2c(O)nc(SCC(=O)N3CCCC3)nc21 O=C(C[*:1])N1CCCC1 Cc1ccccc1-n1ncc2c(O)nc(nc21)S[*:1]
Cc1ccccc1-n1ncc2c(O)nc(SCC(=O)N3CCCC3)nc21 O=C(N1CCCC1)[*:1] Cc1ccccc1-n1ncc2c(O)nc(nc21)SC[*:1]
Cc1ccccc1-n1ncc2c(O)nc(SCC(=O)N3CCCC3)nc21 Cc1ccccc1[*:1] O=C(CSc1nc(O)c2cnn(c2n1)[*:1])N1CCCC1
O=C1N=[NH+][C@@H](c2ccc(OCc3ccc(F)cc3)cc2)O1 Fc1ccc(cc1)[*:1] O=C1N=[NH+][C@H](O1)c1ccc(cc1)OC[*:1]
CCC[NH2+]C[C@H]1CCCCN1c1cc[nH+]cc1Cl CCC[*:1] Clc1c[nH+]ccc1N1CCCC[C@@H]1C[NH2+][*:1]
CCC[NH2+]C[C@H]1CCCCN1c1cc[nH+]cc1Cl CCC[NH2+]C[*:1] Clc1c[nH+]ccc1N1CCCC[C@@H]1[*:1]
CCOC(=O)C1(C(=O)NCc2cccc(-n3ccnc3)c2)CC1 c1cn(cn1)[*:1] CCOC(=O)C1(CC1)C(=O)NCc1cccc(c1)[*:1]
CCOC(=O)C1(C(=O)NCc2cccc(-n3ccnc3)c2)CC1 CCOC(=O)[*:1] O=C(NCc1cccc(c1)-n1ccnc1)C1(CC1)[*:1]
CCOC(=O)Cc1csc(NC(=O)/C(Br)=C/c2ccccc2)n1 CCOC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])/C(Br)=C/c1ccccc1
CCOC(=O)Cc1csc(NC(=O)/C(Br)=C/c2ccccc2)n1 CCOC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])/C(Br)=C/c1ccccc1
CCOC(=O)Cc1csc(NC(=O)/C(Br)=C/c2ccccc2)n1 c1ccc(cc1)[*:1] CCOC(=O)Cc1csc(n1)NC(=O)C(Br)=C[*:1]
Cc1cccc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 FC(F)(F)[*:1] Cc1cccc(c1)C(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 Cc1cccc(c1)[*:1] O=C(NC1CCN(CC1)S(=O)(=O)C(F)(F)F)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 CC(C)[*:1] CCOC(=O)/C=C/c1ccc(cc1)NC(=O)c1cnc2c(cnn2[*:1])c1
CCOC(=O)/C=C/c1ccc(NC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 CCOC(=O)C=C[*:1] CC(C)n1ncc2cc(cnc21)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 CCOC(=O)[*:1] CC(C)n1ncc2cc(cnc21)C(=O)Nc1ccc(C=C[*:1])cc1
COC(=O)[C@H]1CN(C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)CCO1 COC(=O)[*:1] Cc1nc(sc1C(=O)N1CCO[C@H](C1)[*:1])C(C)(C)c1ccccc1
COC(=O)[C@H]1CN(C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)CCO1 CC(C)(c1ccccc1)[*:1] COC(=O)[C@H]1CN(CCO1)C(=O)c1sc(nc1C)[*:1]
COC(=O)[C@H]1CN(C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)CCO1 c1ccc(cc1)[*:1] COC(=O)[C@H]1CN(CCO1)C(=O)c1sc(nc1C)C(C)(C)[*:1]
O=c1[nH]nc(CN(CCc2ccccc2)[C@H]2CCOC2)[nH]1 O=c1[nH]nc([nH]1)[*:1] c1ccc(cc1)CCN(C[*:1])[C@H]1CCOC1
O=c1[nH]nc(CN(CCc2ccccc2)[C@H]2CCOC2)[nH]1 C1C[C@@H](CO1)[*:1] O=c1[nH]nc(CN(CCc2ccccc2)[*:1])[nH]1
O=c1[nH]nc(CN(CCc2ccccc2)[C@H]2CCOC2)[nH]1 c1ccc(cc1)[*:1] O=c1[nH]nc(CN(CC[*:1])[C@H]2CCOC2)[nH]1
O=c1[nH]nc(CN(CCc2ccccc2)[C@H]2CCOC2)[nH]1 O=c1[nH]nc(C[*:1])[nH]1 c1ccc(cc1)CCN([C@H]1CCOC1)[*:1]
O=c1[nH]nc(CN(CCc2ccccc2)[C@H]2CCOC2)[nH]1 c1ccc(cc1)C[*:1] O=c1[nH]nc(CN(C[*:1])[C@H]2CCOC2)[nH]1
O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1cnn2cccnc12 C1CCC(CC1)[*:1] O=C1N(CCC[C@]1(O)C[NH2+]Cc1cnn2cccnc12)CC[*:1]
O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1cnn2cccnc12 C1CCC(CC1)C[*:1] O=C1N(CCC[C@]1(O)C[NH2+]Cc1cnn2cccnc12)C[*:1]
O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1cnn2cccnc12 c1cnc2c(cnn2c1)[*:1] O=C1N(CCC[C@]1(O)C[NH2+]C[*:1])CCC1CCCCC1
O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1cnn2cccnc12 C1CCC(CC1)CC[*:1] O=C1N(CCC[C@]1(O)C[NH2+]Cc1cnn2cccnc12)[*:1]
O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1Cl)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(CC1)[*:1] O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1Cl)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1Cl)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1Cl)N(C1CCCCC1)[*:1]
O=C(CSc1ccc2c(c1)OCCO2)Nc1ncccc1[O-] [O-]c1cccnc1[*:1] O=C(CSc1ccc2OCCOc2c1)N[*:1]
O=C(c1ccc(N2CCCCC2)cc1)N(Cc1ccco1)C[C@@H]1CCCO1 C1CCN(CC1)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccco1)C[C@@H]1CCCO1
O=C(c1ccc(N2CCCCC2)cc1)N(Cc1ccco1)C[C@@H]1CCCO1 c1coc(c1)[*:1] O=C(c1ccc(cc1)N1CCCCC1)N(C[C@@H]1CCCO1)C[*:1]
O=C(c1ccc(N2CCCCC2)cc1)N(Cc1ccco1)C[C@@H]1CCCO1 c1coc(c1)C[*:1] O=C(c1ccc(cc1)N1CCCCC1)N(C[C@@H]1CCCO1)[*:1]
Cl[C@@H](CC[C@@H]1CCCCO1)Cc1ccc2ccccc2n1 C1CC[C@@H](C[*:1])OC1 Cl[C@H](Cc1ccc2ccccc2n1)C[*:1]
Cl[C@@H](CC[C@@H]1CCCCO1)Cc1ccc2ccccc2n1 C1CC[C@H](OC1)[*:1] Cl[C@@H](CC[*:1])Cc1ccc2ccccc2n1
Cc1cc(NC(=O)CSc2nc(=O)n3cccc(C)c3n2)no1 Cc1cc(no1)[*:1] Cc1cccn2c(=O)nc(nc12)SCC(=O)N[*:1]
CCCC1CCN(c2cc(C)c(F)cc2C(C)=O)CC1 CC(=O)[*:1] CCCC1CCN(CC1)c1cc(C)c(F)cc1[*:1]
CCCC1CCN(c2cc(C)c(F)cc2C(C)=O)CC1 CCC[*:1] CC(=O)c1cc(F)c(C)cc1N1CCC(CC1)[*:1]
CCCCN(C)C(=O)c1ccc(C)cc1N CCCC[*:1] Cc1ccc(C(=O)N(C)[*:1])c(N)c1
CCCCN(C)C(=O)c1ccc(C)cc1N CCC[*:1] Cc1ccc(C(=O)N(C)C[*:1])c(N)c1
CCC1(CNC(=O)c2cnc3sc(C)cn3c2=O)CC1 CCC1(CC1)C[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[*:1]
CCC1(CNC(=O)c2cnc3sc(C)cn3c2=O)CC1 CCC1(CC1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NC[*:1]
CC(C)[C@@H]([NH3+])Cn1nc(-c2ccc(F)c(F)c2)ccc1=O CC(C)[*:1] [NH3+][C@@H](Cn1nc(ccc1=O)-c1ccc(F)c(F)c1)[*:1]
O=C(CN1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)c1nn2cc(nc2s1)[*:1])NCc1ccccc1
O=C(CN1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CCN(CC1)c1nn2cc(nc2s1)-c1ccccc1)N[*:1]
O=C(CN1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)c1nn2cc(nc2s1)-c1ccccc1)NC[*:1]
O=C(CN1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] c1ccc(cc1)-c1cn2nc(sc2n1)N1CCN(CC1)C[*:1]
CCOc1ccc([C@]2(O)[C@@H](C)[N+]3=C(CCCC3)N2c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@]1(O)[C@@H](C)[N+]2CCCCC=2N1[*:1]
CCOc1ccc([C@]2(O)[C@@H](C)[N+]3=C(CCCC3)N2c2ccc(OC)cc2)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1)N1C2CCCC[N+]=2[C@H](C)[C@]1(O)[*:1]
CCOc1ccc([C@]2(O)[C@@H](C)[N+]3=C(CCCC3)N2c2ccc(OC)cc2)cc1 CCO[*:1] COc1ccc(cc1)N1C2CCCC[N+]=2[C@H](C)[C@@]1(O)c1ccc(cc1)[*:1]
CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2cccnc2)nc1C c1cncc(c1)[*:1] CCN(CC)C(=O)c1cnc(nc1C)[C@H]1CCCCN1C(=O)[*:1]
CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2cccnc2)nc1C CCN(CC)C(=O)[*:1] Cc1nc(ncc1[*:1])[C@H]1CCCCN1C(=O)c1cccnc1
C[C@H]1CCN(C(=O)Nc2cccnc2-n2cccn2)C[C@@H]1O c1cnn(c1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Nc1cccnc1[*:1]
Cc1ncc(C[NH2+]C(C)C)n1C[C@H]1Cc2ccccc2S1 CC(C)[*:1] Cc1ncc(C[NH2+][*:1])n1C[C@H]1Cc2ccccc2S1
COc1ccc(Br)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] COc1ccc(Br)c(c1)C(=O)NCCc1ccc(cc1)[*:1]
C=CCn1c(=S)[nH]c2cc(C(=O)NCCCCC)ccc2c1=O CCCC[*:1] C=CCn1c(=S)[nH]c2cc(ccc2c1=O)C(=O)NC[*:1]
C=CCn1c(=S)[nH]c2cc(C(=O)NCCCCC)ccc2c1=O CCCCC[*:1] C=CCn1c(=S)[nH]c2cc(ccc2c1=O)C(=O)N[*:1]
C=CCn1c(=S)[nH]c2cc(C(=O)NCCCCC)ccc2c1=O CCC[*:1] C=CCn1c(=S)[nH]c2cc(ccc2c1=O)C(=O)NCC[*:1]
C=CCn1c(=S)[nH]c2cc(C(=O)NCCCCC)ccc2c1=O C=CC[*:1] CCCCCNC(=O)c1ccc2c(=O)n(c(=S)[nH]c2c1)[*:1]
CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2cccs2)S1 c1csc(c1)[*:1] CC(=O)NC1=NN(C(C)=O)[C@@](C)(S1)[*:1]
Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2F)c(C)c1 Fc1ccccc1O[*:1] Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2F)c(C)c1 Fc1ccccc1[*:1] Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)O[*:1])c(C)c1
CCCC(=O)N1CCCC[C@H]1C(=O)N1CCC(C)(C(=O)OCC)CC1 CCOC(=O)[*:1] CCCC(=O)N1CCCC[C@H]1C(=O)N1CCC(C)(CC1)[*:1]
CCCC(=O)N1CCCC[C@H]1C(=O)N1CCC(C)(C(=O)OCC)CC1 CCC[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[C@@H]1CCCCN1C(=O)[*:1]
CC(C)[C@H](NC(=O)C[C@H]1CCCO1)c1nc2ccccc2[nH]1 C1CO[C@H](C1)[*:1] CC(C)[C@H](NC(=O)C[*:1])c1nc2ccccc2[nH]1
CC(C)[C@H](NC(=O)C[C@H]1CCCO1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(C[C@H]1CCCO1)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)[C@H](NC(=O)C[C@H]1CCCO1)c1nc2ccccc2[nH]1 C1CO[C@H](C1)C[*:1] CC(C)[C@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
Cn1cc(NC(=O)Nc2cccc(C[NH+](C)C)c2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(NC(=O)Nc2cccc(c2)C[NH+](C)C)c(n1)[*:1]
CC(=O)N1C[C@@H](C)CN(CCOc2ccc(C#N)cc2)c2ccccc21 N#Cc1ccc(cc1)[*:1] CC(=O)N1C[C@@H](C)CN(CCO[*:1])c2ccccc21
CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]12 O=C([O-])c1ccc(cc1)[*:1] CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(C(=O)[C@H]12)[*:1]
CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]12 O=C([O-])[*:1] CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(C(=O)[C@H]12)c1ccc(cc1)[*:1]
CCCOc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 CCCO[*:1] O=C(Nc1ccccc1[*:1])NC1CC[NH+](CC1)Cc1ccccn1
CCCOc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 CCC[*:1] O=C(Nc1ccccc1O[*:1])NC1CC[NH+](CC1)Cc1ccccn1
CCCOc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CCCOc1ccccc1NC(=O)NC1CC[NH+](CC1)C[*:1]
CCCOc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 CCCOc1ccccc1NC(=O)NC1CC[NH+](CC1)[*:1]
C[C@@H]1CN(C(=O)NC[C@](C)(O)CC(=O)[O-])C[C@@H]1C O=C([O-])[*:1] C[C@@H]1CN(C[C@@H]1C)C(=O)NC[C@](C)(O)C[*:1]
C[C@@H]1CN(C(=O)NC[C@](C)(O)CC(=O)[O-])C[C@@H]1C O=C([O-])C[*:1] C[C@@H]1CN(C[C@@H]1C)C(=O)NC[C@](C)(O)[*:1]
COCc1cc(NC(=O)N[C@H]2CCC[C@H]2CCC(C)C)ncn1 CC(C)[*:1] COCc1cc(ncn1)NC(=O)N[C@H]1CCC[C@H]1CC[*:1]
COCc1cc(NC(=O)N[C@H]2CCC[C@H]2CCC(C)C)ncn1 CC(C)CC[*:1] COCc1cc(ncn1)NC(=O)N[C@H]1CCC[C@@H]1[*:1]
COCc1cc(NC(=O)N[C@H]2CCC[C@H]2CCC(C)C)ncn1 CC(C)C[*:1] COCc1cc(ncn1)NC(=O)N[C@H]1CCC[C@H]1C[*:1]
COCc1cc(NC(=O)N[C@H]2CCC[C@H]2CCC(C)C)ncn1 COC[*:1] CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(ncn1)[*:1]
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)[*:1] C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[*:1])c1ccccc1
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccccc1 C[C@@H](S[*:1])c1ccccc1 Fc1ccc(cc1)-c1nnc(n1C[C@@H]1CCCO1)[*:1]
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)C[*:1] C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1[*:1])c1ccccc1
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)[*:1]
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccccc1 Fc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1C[C@@H]1CCCO1)[*:1])c1ccccc1
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] Fc1ccc(cc1)-c1nnc(S[*:1])n1C[C@@H]1CCCO1
CC[C@@H](C)SCC(=O)Cc1cccc(O)c1 CC[C@@H](C)[*:1] O=C(CS[*:1])Cc1cccc(O)c1
CC[C@@H](C)SCC(=O)Cc1cccc(O)c1 CC[C@@H](C)S[*:1] O=C(Cc1cccc(O)c1)C[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C)nc2c1cnn2C(C)C CC(C)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C)nc2c1cnn2[*:1]
Cc1nn(CC(=O)N(c2ccccc2)C(C)C)c(C)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nn(CC(=O)N(C(C)C)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CC(=O)N(c2ccccc2)C(C)C)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)N(c2ccccc2)C(C)C)c(C)c1[*:1]
Cc1nn(CC(=O)N(c2ccccc2)C(C)C)c(C)c1[N+](=O)[O-] CC(C)[*:1] Cc1nn(CC(=O)N(c2ccccc2)[*:1])c(C)c1[N+](=O)[O-]
O=C1[C@H]2CCCN2[C@H](c2c(F)cccc2Cl)N1c1cccc(Cl)c1 Fc1cccc(Cl)c1[*:1] O=C1[C@H]2CCCN2[C@H](N1c1cccc(Cl)c1)[*:1]
O=C1[C@H]2CCCN2[C@H](c2c(F)cccc2Cl)N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1[C@H]2CCCN2[C@H](c2c(F)cccc2Cl)N1[*:1]
O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)C(=O)[*:1]
O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cccs2)CC1 Clc1cccc(c1)[*:1] O=C(c1cccs1)N1CCN(CC1)C(=O)[*:1]
CCO[C@H](C)c1nc(Cn2cc([N+](=O)[O-])cc(C#N)c2=O)cs1 O=[N+]([O-])[*:1] CCO[C@H](C)c1nc(cs1)Cn1cc(cc(C#N)c1=O)[*:1]
CCO[C@H](C)c1nc(Cn2cc([N+](=O)[O-])cc(C#N)c2=O)cs1 CCO[C@H](C)[*:1] N#Cc1cc(cn(Cc2csc(n2)[*:1])c1=O)[N+](=O)[O-]
CCO[C@H](C)c1nc(Cn2cc([N+](=O)[O-])cc(C#N)c2=O)cs1 CCO[*:1] C[C@H](c1nc(cs1)Cn1cc(cc(C#N)c1=O)[N+](=O)[O-])[*:1]
CC(C)(C)c1nc2cc(NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)ccc2o1 CC(C)(C)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])C1CCC(=O)N(Cc2ccc(F)cc2)N=1
CC(C)(C)c1nc2cc(NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)ccc2o1 Fc1ccc(cc1)[*:1] CC(C)(C)c1nc2cc(ccc2o1)NC(=O)C1CCC(=O)N(C[*:1])N=1
CC(C)(C)c1nc2cc(NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)ccc2o1 Fc1ccc(cc1)C[*:1] CC(C)(C)c1nc2cc(ccc2o1)NC(=O)C1CCC(=O)N(N=1)[*:1]
COc1nc(C)cc(C)c1CNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F FC(F)(F)[*:1] COc1nc(C)cc(C)c1CNC(=O)[C@H]1CCCC[C@H]1[*:1]
CN(Cc1ncnn1C)C(=O)Nc1cc(C#N)ccc1OC(F)F Cn1ncnc1[*:1] CN(C[*:1])C(=O)Nc1cc(C#N)ccc1OC(F)F
CN(Cc1ncnn1C)C(=O)Nc1cc(C#N)ccc1OC(F)F FC(F)O[*:1] CN(Cc1ncnn1C)C(=O)Nc1cc(C#N)ccc1[*:1]
CN(Cc1ncnn1C)C(=O)Nc1cc(C#N)ccc1OC(F)F FC(F)[*:1] CN(Cc1ncnn1C)C(=O)Nc1cc(C#N)ccc1O[*:1]
CN(Cc1ncnn1C)C(=O)Nc1cc(C#N)ccc1OC(F)F Cn1ncnc1C[*:1] CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[*:1]
NC(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)s1 NC(=O)[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCCCCC1)c1ccc(s1)[*:1]
NC(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)s1 NC(=O)c1ccc(s1)[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCCCCC1
CN1C(=O)C[C@@H](NC(=O)NNc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)NNc2cccc(C#N)c2)[C@H]1[*:1]
CN1C(=O)C[C@@H](NC(=O)NNc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 N#Cc1cccc(c1)[*:1] CN1C(=O)C[C@@H](NC(=O)NN[*:1])[C@@H]1c1ccc(Cl)cc1
COc1cccc([C@H](C)CC(=O)N(C2CC2)[C@H]2CC([O-])=NC2=O)c1 C1CC1[*:1] COc1cccc(c1)[C@H](C)CC(=O)N([C@H]1CC([O-])=NC1=O)[*:1]
COc1cccc([C@H](C)CC(=O)N(C2CC2)[C@H]2CC([O-])=NC2=O)c1 COc1cccc(c1)[*:1] C[C@H](CC(=O)N(C1CC1)[C@H]1CC([O-])=NC1=O)[*:1]
Cc1ccnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccnc(c1[*:1])N1CCC(CC1)c1nc(c[nH]1)C(F)(F)F
Cc1ccnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1[N+](=O)[O-] FC(F)(F)[*:1] Cc1ccnc(c1[N+](=O)[O-])N1CCC(CC1)c1nc(c[nH]1)[*:1]
CCCN1C(=O)CC[C@H]2CN(C(=O)c3cc[nH]n3)CC[C@H]21 c1cc(n[nH]1)[*:1] CCCN1C(=O)CC[C@H]2CN(CC[C@H]21)C(=O)[*:1]
CCCN1C(=O)CC[C@H]2CN(C(=O)c3cc[nH]n3)CC[C@H]21 CCC[*:1] O=C(c1cc[nH]n1)N1CC[C@@H]2[C@@H](CCC(=O)N2[*:1])C1
C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O c1ccc(cc1)CC[*:1] C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)[*:1]
C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O c1ccc(cc1)[*:1] C[C@@H](CC[*:1])[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O
C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O c1ccc(cc1)C[*:1] C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)C[*:1]
O=C(Cc1n[nH]c2ccccc12)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 Fc1cccc(c1)[*:1] O=C(Cc1n[nH]c2ccccc12)N1CCCC[C@@H]1c1ncc([nH]1)[*:1]
O=C(Cc1n[nH]c2ccccc12)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 c1ccc2c(n[nH]c2c1)[*:1] O=C(C[*:1])N1CCCC[C@@H]1c1ncc([nH]1)-c1cccc(F)c1
O=C(Cc1n[nH]c2ccccc12)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 c1ccc2c(C[*:1])n[nH]c2c1 O=C(N1CCCC[C@@H]1c1ncc([nH]1)-c1cccc(F)c1)[*:1]
CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)C3CC3)[C@H]2c2ccc(F)cc2F)cc1 O=C(C1CC1)[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)C([O-])=C([C@H]1c1ccc(F)cc1F)[*:1]
CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)C3CC3)[C@H]2c2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)C([O-])=C(C(=O)C2CC2)[C@@H]1[*:1]
CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)C3CC3)[C@H]2c2ccc(F)cc2F)cc1 C1CC1[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(F)cc1F
CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)C3CC3)[C@H]2c2ccc(F)cc2F)cc1 CCOC(=O)[*:1] O=C(C1=C([O-])C(=O)N(c2ccc(cc2)[*:1])[C@@H]1c1ccc(F)cc1F)C1CC1
Cc1cncc(NC(=O)C(=O)NCCC2Cc3ccccc3C2)c1 Cc1cncc(c1)[*:1] O=C(NCCC1Cc2ccccc2C1)C(=O)N[*:1]
COc1ccccc1NC(=O)[C@H](C)Nc1cccc(NC(C)=O)c1 COc1ccccc1[*:1] CC(=O)Nc1cccc(c1)N[C@@H](C)C(=O)N[*:1]
COc1ccccc1NC(=O)[C@H](C)Nc1cccc(NC(C)=O)c1 CC(=O)N[*:1] COc1ccccc1NC(=O)[C@H](C)Nc1cccc(c1)[*:1]
Cc1cccn2cc(C(=O)Nc3ccc([C@H](O)Cn4cncn4)cc3)nc12 c1ncn(C[*:1])n1 Cc1cccn2cc(nc12)C(=O)Nc1ccc(cc1)[C@H](O)[*:1]
Cc1cccn2cc(C(=O)Nc3ccc([C@H](O)Cn4cncn4)cc3)nc12 c1ncn(n1)[*:1] Cc1cccn2cc(nc12)C(=O)Nc1ccc(cc1)[C@H](O)C[*:1]
Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)c2ccccc2)n1 Cc1cccnc1[*:1] Cc1nc(cc(n1)[C@H]1CCCN1C(=O)c1ccccc1)N[*:1]
Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)c2ccccc2)n1 Cc1cccnc1N[*:1] Cc1nc(cc(n1)[*:1])[C@H]1CCCN1C(=O)c1ccccc1
Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc(cc(n1)[C@H]1CCCN1C(=O)[*:1])Nc1ncccc1C
O=C(NNc1ccc(-n2cccn2)nn1)NC1CCC(c2ccccc2)CC1 c1cnn(c1)[*:1] O=C(NNc1ccc(nn1)[*:1])NC1CCC(CC1)c1ccccc1
O=C(NNc1ccc(-n2cccn2)nn1)NC1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NNc1ccc(nn1)-n1cccn1)NC1CCC(CC1)[*:1]
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccc(Cl)c1F O=C([O-])[*:1] O=C(Nc1cccc(Cl)c1F)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1[*:1]
O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1cccc2ccccc12 O=[N+]([O-])[*:1] O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[*:1])c1cccc2ccccc12
O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])[*:1]
O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1cccc2ccccc12 Brc1cccc(c1)[*:1] O=C(NNc1ncnc(N[*:1])c1[N+](=O)[O-])c1cccc2ccccc12
O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])c1cccc2ccccc12 Brc1cccc(c1)N[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1cccc2ccccc12
CCOC(=O)Cn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21 CCOC(=O)[*:1] O=C(NCc1nc2ccccc2n1C[*:1])c1ccccc1Cl
CCOC(=O)Cn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21 CCOC(=O)C[*:1] O=C(NCc1nc2ccccc2n1[*:1])c1ccccc1Cl
CCOC(=O)Cn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21 Clc1ccccc1[*:1] CCOC(=O)Cn1c(CNC(=O)[*:1])nc2ccccc21
O=C/C=C/C=C/C=C/C=C/C=C/c1ccccc1 c1ccc(cc1)[*:1] O=C/C=C/C=C/C=C/C=C/C=C[*:1]
O=C/C=C/C=C/C=C/C=C/C=C/c1ccccc1 O=C/C=C/C=C[*:1] C(=C/C=C[*:1])\C=C\c1ccccc1
O=C/C=C/C=C/C=C/C=C/C=C/c1ccccc1 O=CC=C[*:1] C(/C=C/C=C[*:1])=C\C=C\c1ccccc1
Fc1cccc(SCCCNc2ccccc2)c1 c1ccc(cc1)[*:1] Fc1cccc(c1)SCCCN[*:1]
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H](NC(C)=O)C(C)C)C2)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@@H](C(=O)N1C[C@@H](C[C@H]1C)[*:1])C(C)C
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H](NC(C)=O)C(C)C)C2)cc1 CC(=O)N[C@H](C(C)C)[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](C)N(C1)C(=O)[*:1]
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H](NC(C)=O)C(C)C)C2)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](C)N(C1)C(=O)[C@H](NC(C)=O)[*:1]
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H](NC(C)=O)C(C)C)C2)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](C)N(C1)C(=O)[C@H](C(C)C)[*:1]
C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNS(=O)(=O)c1ccc2CCCc2c1)[*:1]
C[NH2+]C1CCC(N(C)c2nc(C(C)C)ns2)CC1 CC(C)[*:1] C[NH2+]C1CCC(CC1)N(C)c1nc(ns1)[*:1]
CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 c1cc2OCOc2cc1[*:1] CC(=O)Nc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 CC(=O)N[*:1] O=C(Nc1ccc2OCOc2c1)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cccnc1 c1cncc(c1)[*:1] O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[*:1]
O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cccnc1 c1ccc(cc1)[*:1] O=C(N[C@@H](c1ccc2nc[nH]c2c1)[*:1])c1cccnc1
CS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)ccc21 c1cc2OCOc2cc1[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)CSc1nnc(o1)[*:1]
COCCCN(Cc1ccncc1)C(=O)c1ccc(C#N)cc1 c1cc(ccn1)C[*:1] COCCCN(C(=O)c1ccc(C#N)cc1)[*:1]
COCCCN(Cc1ccncc1)C(=O)c1ccc(C#N)cc1 c1cc(ccn1)[*:1] COCCCN(C[*:1])C(=O)c1ccc(C#N)cc1
COCCCN(Cc1ccncc1)C(=O)c1ccc(C#N)cc1 COCC[*:1] N#Cc1ccc(cc1)C(=O)N(Cc1ccncc1)C[*:1]
COCCCN(Cc1ccncc1)C(=O)c1ccc(C#N)cc1 COCCC[*:1] N#Cc1ccc(cc1)C(=O)N(Cc1ccncc1)[*:1]
COCCCN(Cc1ccncc1)C(=O)c1ccc(C#N)cc1 COC[*:1] N#Cc1ccc(cc1)C(=O)N(CC[*:1])Cc1ccncc1
CC(=O)N[C@H]1CCCN(C(=O)c2cccc[n+]2[O-])C1 CC(=O)N[*:1] O=C(c1cccc[n+]1[O-])N1CCC[C@@H](C1)[*:1]
COc1cccc(NC2CC[NH+](Cc3c(C)nc4sc(C)cn34)CC2)c1 COc1cccc(c1)[*:1] Cc1cn2c(C[NH+]3CCC(CC3)N[*:1])c(C)nc2s1
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O Brc1ccc(cc1)[*:1] COC(=O)[C@H](C)Oc1ccc2C(=O)C(=C[*:1])Oc2c1
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O COC(=O)[C@H](C)[*:1] O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(ccc21)O[*:1]
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O COC(=O)[*:1] C[C@H](Oc1ccc2C(=O)/C(=C/c3ccc(Br)cc3)Oc2c1)[*:1]
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O COC(=O)[C@H](C)O[*:1] O=C1/C(=C/c2ccc(Br)cc2)Oc2cc(ccc21)[*:1]
O=C(CC[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 C1CO[C@H](C1)C[*:1] O=C(C[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
O=C(CC[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 C1CO[C@H](C1)[*:1] O=C(CC[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
O=C(CC[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] O=C(CC[C@H]1CCCO1)N1CCc2ccc(cc2C1)[*:1]
O=C(CC[C@H]1CCCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 C1CO[C@H](C1)CC[*:1] O=C(N1CCc2ccc(cc2C1)[N+](=O)[O-])[*:1]
CCc1cc(CNC(=O)c2oc3ccc(Cl)cc3c2C)on1 CCc1cc(on1)[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)NC[*:1]
O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](N2CCOCC2)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@@H](C1)N1CCOCC1
O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](N2CCOCC2)C1 C1CN(CCO1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](C1)[*:1]
COc1ccc2cc(CNC(=O)NC[C@H](C)N3CCOCC3)ccc2c1 C1CN(CCO1)[*:1] COc1ccc2cc(ccc2c1)CNC(=O)NC[C@H](C)[*:1]
CCN(C)S(=O)(=O)NCc1ccc(OC(C)C)nc1 CC(C)O[*:1] CCN(C)S(=O)(=O)NCc1ccc(nc1)[*:1]
CCN(C)S(=O)(=O)NCc1ccc(OC(C)C)nc1 CC(C)[*:1] CCN(C)S(=O)(=O)NCc1ccc(nc1)O[*:1]
CC[C@](C#N)(C(=O)OC)/C(C)=C/C(C)C COC(=O)[*:1] CC[C@](C#N)(/C(C)=C/C(C)C)[*:1]
CC[C@](C#N)(C(=O)OC)/C(C)=C/C(C)C CC(C)[*:1] CC[C@](C#N)(C(=O)OC)C(C)=C[*:1]
Cc1cc(C)c(-c2csc(NC(=O)c3cccc(C#N)c3)n2)c(C)c1 N#Cc1cccc(c1)[*:1] Cc1cc(C)c(-c2csc(n2)NC(=O)[*:1])c(C)c1
COc1cc(C)c(CN2CCN(C(=O)CN3CCN(c4ccccc4)CC3)CC2)cc1OC COc1cc(C)c(cc1OC)[*:1] O=C(CN1CCN(CC1)c1ccccc1)N1CCN(CC1)C[*:1]
COc1cc(C)c(CN2CCN(C(=O)CN3CCN(c4ccccc4)CC3)CC2)cc1OC c1ccc(cc1)[*:1] COc1cc(C)c(cc1OC)CN1CCN(CC1)C(=O)CN1CCN(CC1)[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1c[nH+]cc([O-])c1 O=C([O-])[*:1] C[C@H]1[C@@H](CCN1C(=O)c1c[nH+]cc([O-])c1)[*:1]
CCCCN(C(=O)NCc1csc(C2CC2)n1)[C@@H]1CCS(=O)(=O)C1 c1sc(nc1[*:1])C1CC1 CCCCN(C(=O)NC[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)NCc1csc(C2CC2)n1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCCN(C(=O)NCc1csc(n1)C1CC1)[*:1]
CCCCN(C(=O)NCc1csc(C2CC2)n1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(NCc1csc(n1)C1CC1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)NCc1csc(C2CC2)n1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] CCCCN(C(=O)NCc1csc(n1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)NCc1csc(C2CC2)n1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(NCc1csc(n1)C1CC1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)n1C1CC1 COc1ccccc1C[*:1] O=C(CCc1nc2ccccc2c(=O)n1C1CC1)N[*:1]
COc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)n1C1CC1 C1CC1[*:1] COc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)n1[*:1]
COc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)n1C1CC1 COc1ccccc1[*:1] O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NC[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)C(=O)Nc2cccnc2C)o1 Cc1ccc(o1)[*:1] Cc1ncccc1NC(=O)C(=O)NC[C@@](C)(O)[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)C(=O)Nc2cccnc2C)o1 Cc1ncccc1[*:1] Cc1ccc(o1)[C@@](C)(O)CNC(=O)C(=O)N[*:1]
CN1C(=O)C[C@H](C(=O)NN2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CN1C(=O)C[C@H](C(=O)NN2CCOCC2)[C@@H]1[*:1]
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cn(C)nc1C(C)(C)C CC(C)(C)[*:1] CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cn(C)nc1[*:1]
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cn(C)nc1C(C)(C)C Clc1cccc(Cl)c1[*:1] CN(CC(=O)N[*:1])C(=O)c1cn(C)nc1C(C)(C)C
CCOCC1CCN(C(=O)C(=O)Nc2cccnc2C)CC1 CCOC[*:1] Cc1ncccc1NC(=O)C(=O)N1CCC(CC1)[*:1]
CCOCC1CCN(C(=O)C(=O)Nc2cccnc2C)CC1 CCO[*:1] Cc1ncccc1NC(=O)C(=O)N1CCC(CC1)C[*:1]
CCOCC1CCN(C(=O)C(=O)Nc2cccnc2C)CC1 Cc1ncccc1[*:1] CCOCC1CCN(CC1)C(=O)C(=O)N[*:1]
COC[C@@]1(C)CNC(=[NH2+])N1c1cccc(F)c1 COC[*:1] C[C@]1(CNC(=[NH2+])N1c1cccc(F)c1)[*:1]
CC[C@@H](C)n1c(C[NH3+])nc2cc(Cl)ccc21 CC[C@@H](C)[*:1] [NH3+]Cc1nc2cc(Cl)ccc2n1[*:1]
CCOC(=O)c1nc([C@H]([NH3+])c2ccc(OC(F)(F)F)cc2)no1 FC(F)(F)O[*:1] CCOC(=O)c1nc(no1)[C@H]([NH3+])c1ccc(cc1)[*:1]
CCOC(=O)c1nc([C@H]([NH3+])c2ccc(OC(F)(F)F)cc2)no1 FC(F)(F)[*:1] CCOC(=O)c1nc(no1)[C@H]([NH3+])c1ccc(cc1)O[*:1]
CCOC(=O)c1nc([C@H]([NH3+])c2ccc(OC(F)(F)F)cc2)no1 CCOC(=O)[*:1] [NH3+][C@H](c1ccc(cc1)OC(F)(F)F)c1noc(n1)[*:1]
CC(C)(C)c1ccc(CS(=O)(=O)Cc2nnc(C3CC3)o2)cc1 CC(C)(C)[*:1] O=S(=O)(Cc1ccc(cc1)[*:1])Cc1nnc(o1)C1CC1
CC(C)(C)c1ccc(CS(=O)(=O)Cc2nnc(C3CC3)o2)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)CS(=O)(=O)Cc1nnc(o1)[*:1]
C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1nc2ccccc2n1C Fc1ccc(cc1F)[*:1] C[C@H]([NH2+]CCO[*:1])c1nc2ccccc2n1C
C[C@@H](O)CN(C)C(=O)NCCCc1cccc(Br)c1 C[C@@H](O)[*:1] CN(C[*:1])C(=O)NCCCc1cccc(Br)c1
C[C@@H](O)CN(C)C(=O)NCCCc1cccc(Br)c1 C[C@@H](O)C[*:1] CN(C(=O)NCCCc1cccc(Br)c1)[*:1]
CC(C)[C@](C)(CC(=O)N(C)Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@](C)(CC(=O)N(C)Cc1ccccc1)[*:1]
CC(C)[C@](C)(CC(=O)N(C)Cc1ccccc1)C(=O)[O-] CC(C)[*:1] CN(Cc1ccccc1)C(=O)C[C@@](C)(C(=O)[O-])[*:1]
CC(C)[C@](C)(CC(=O)N(C)Cc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CC(C)[C@](C)(CC(=O)N(C)C[*:1])C(=O)[O-]
Cc1ccc(CC(=O)NCCc2nnc3ccccn23)cn1 Cc1ccc(cn1)[*:1] O=C(C[*:1])NCCc1nnc2ccccn12
Cc1cc(S[C@H](C)C(=O)OC(C)(C)C)ccc1N CC(C)(C)[*:1] Cc1cc(ccc1N)S[C@H](C)C(=O)O[*:1]
COc1cccc(NC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CSc1nccnc1N1CCN(CC1)[*:1]
COc1cccc(NC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)c1 COc1cccc(c1)[*:1] O=C(CSc1nccnc1N1CCN(CC1)c1ccccc1)N[*:1]
Cc1cccc(C)c1O[C@@H](C)c1cc(-c2ccc(N)cc2)n[nH]1 Nc1ccc(cc1)[*:1] Cc1cccc(C)c1O[C@@H](C)c1cc(n[nH]1)[*:1]
C=CCO[C@@H](C)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 C=CC[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)[C@H](C)O[*:1]
C=CCO[C@@H](C)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 C=CCO[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)[C@H](C)[*:1]
C[C@@H](CNC(=O)NCC1(C2CC2)CC1)c1nc(-c2ccccc2)no1 C1CC1C1(CC1)C[*:1] C[C@@H](CNC(=O)N[*:1])c1nc(no1)-c1ccccc1
C[C@@H](CNC(=O)NCC1(C2CC2)CC1)c1nc(-c2ccccc2)no1 C1CC1[*:1] C[C@@H](CNC(=O)NCC1(CC1)[*:1])c1nc(no1)-c1ccccc1
C[C@@H](CNC(=O)NCC1(C2CC2)CC1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NCC1(CC1)C1CC1)c1nc(no1)[*:1]
C[C@@H](CNC(=O)NCC1(C2CC2)CC1)c1nc(-c2ccccc2)no1 C1CC1C1(CC1)[*:1] C[C@@H](CNC(=O)NC[*:1])c1nc(no1)-c1ccccc1
CO[C@H](CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cnccn1 CC(C)CCO[*:1] O=C(N[C@H]1CCCC[C@@H]1[*:1])c1cnccn1
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cnccn1 CC(C)CC[*:1] O=C(N[C@H]1CCCC[C@@H]1O[*:1])c1cnccn1
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cnccn1 CC(C)[*:1] O=C(N[C@H]1CCCC[C@@H]1OCC[*:1])c1cnccn1
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cnccn1 CC(C)C[*:1] O=C(N[C@H]1CCCC[C@@H]1OC[*:1])c1cnccn1
CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)c1cnccn1 c1cnc(cn1)[*:1] CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)[*:1]
COc1ccc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)cc1F Cc1cccc(c1)[*:1] COc1ccc(cc1F)-c1csc(CC(=O)N[*:1])n1
COc1ccc(F)c(NC(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)c1 CC(C)[*:1] COc1ccc(F)c(c1)NC(=O)[C@@H](NC(=O)NCc1ccccc1)[*:1]
COc1ccc(F)c(NC(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)[C@@H](NC(=O)NC[*:1])C(C)C
COc1ccc(F)c(NC(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)c1 c1ccc(cc1)C[*:1] COc1ccc(F)c(c1)NC(=O)[C@@H](NC(=O)N[*:1])C(C)C
COc1ccc(F)c(NC(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)c1 COc1ccc(F)c(c1)[*:1] CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N[*:1]
O=[N+]([O-])c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)o1 O=[N+]([O-])[*:1] c1ccc(cc1)N1CCN(c2ccccc2)C1c1ccc(o1)[*:1]
O=[N+]([O-])c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)o1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(o1)C1N(CCN1[*:1])c1ccccc1
COc1ccccc1[C@@H]1CC(=O)c2cnc3c(-c4ccc(F)cc4)c(C)nn3c2C1 Fc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1CC(=O)c2cnc3c(c(C)nn3c2C1)[*:1]
COc1ccccc1[C@@H]1CC(=O)c2cnc3c(-c4ccc(F)cc4)c(C)nn3c2C1 COc1ccccc1[*:1] Cc1nn2c3C[C@@H](CC(=O)c3cnc2c1-c1ccc(F)cc1)[*:1]
O=C1OCCN1/N=C\c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C1OCCN1/N=C\c1ccc(o1)[*:1]
COC[C@H]1CN(CCC(=O)OC(C)C)CCO1 CC(C)[*:1] COC[C@H]1CN(CCO1)CCC(=O)O[*:1]
COC[C@H]1CN(CCC(=O)OC(C)C)CCO1 COC[*:1] CC(C)OC(=O)CCN1CCO[C@H](C1)[*:1]
COc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)NC(=O)NC[C@@H](N1CCc2ccccc2C1)[*:1]
COc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)N[*:1]
COc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1OC c1ccc2CN(CCc2c1)[*:1] COc1ccc(cc1OC)NC(=O)NC[C@@H](c1ccco1)[*:1]
O=C([C@H]1COc2ccccc2O1)N1CC(c2nc(-c3ccccn3)no2)C1 c1ccc(nc1)[*:1] O=C([C@H]1COc2ccccc2O1)N1CC(C1)c1nc(no1)[*:1]
NS(=O)(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1 NS(=O)(=O)C[*:1] O=C(NC[*:1])c1ccc(cc1)C(F)(F)F
NS(=O)(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1 NS(=O)(=O)CC[*:1] O=C(N[*:1])c1ccc(cc1)C(F)(F)F
NS(=O)(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1 NS(=O)(=O)[*:1] O=C(NCC[*:1])c1ccc(cc1)C(F)(F)F
NS(=O)(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] NS(=O)(=O)CCNC(=O)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1 FC(F)(F)C[*:1] CC(C)C(=O)Nc1ccc(cc1)C[NH2+][C@@H]1CCN(C1)[*:1]
CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1 CC(C)C(=O)N[*:1] FC(F)(F)CN1CC[C@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)C[NH2+][C@@H]1CCN(C1)CC(F)(F)F)[*:1]
CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1 FC(F)(F)[*:1] CC(C)C(=O)Nc1ccc(cc1)C[NH2+][C@@H]1CCN(C1)C[*:1]
CCOC(=O)N1CCC(NC(=O)N(C)[C@H](C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)N(C)[C@H](C)[*:1]
CCOC(=O)N1CCC(NC(=O)N(C)[C@H](C)c2ccccc2)CC1 C[C@H](c1ccccc1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)N(C)[*:1]
O=C([O-])[C@@H]1C=C[C@@H](NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)C1 C1CC1C[*:1] O=C([O-])[C@@H]1C=C[C@H](C1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C([O-])[C@@H]1C=C[C@@H](NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)C1 C1CC1[*:1] O=C([O-])[C@@H]1C=C[C@H](C1)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
O=C([O-])[C@@H]1C=C[C@@H](NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)C1 O=C([O-])[*:1] O=C(N[C@@H]1C=C[C@H](C1)[*:1])[C@H]1CC(=O)N(CC2CC2)C1
C[C@@](O)(CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[*:1]
C#CC[NH+](CC(=O)[O-])Cc1ccc(C(C)C)cc1 CC(C)[*:1] C#CC[NH+](CC(=O)[O-])Cc1ccc(cc1)[*:1]
C#CC[NH+](CC(=O)[O-])Cc1ccc(C(C)C)cc1 O=C([O-])[*:1] C#CC[NH+](Cc1ccc(cc1)C(C)C)C[*:1]
NC(=O)COc1ccc(Br)cc1Cl NC(=O)C[*:1] Clc1cc(Br)ccc1O[*:1]
NC(=O)COc1ccc(Br)cc1Cl NC(=O)[*:1] Clc1cc(Br)ccc1OC[*:1]
COC(=O)c1cccc(NC(=O)c2cnc3ccc(C)cn3c2=O)c1 COC(=O)[*:1] Cc1ccc2ncc(C(=O)Nc3cccc(c3)[*:1])c(=O)n2c1
Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)s1 O=C(N[*:1])c1ccco1 Cc1ccc(s1)S(=O)(=O)N1CCC[C@H](C1)C[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)s1 c1coc(c1)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@@H](CNC(=O)[*:1])C1
Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)s1 Cc1ccc(s1)[*:1] O=C(NC[C@@H]1CCCN(C1)S(=O)(=O)[*:1])c1ccco1
Cn1cnc(S(=O)(=O)NCC2(C)Cc3ccccc3C2)c1Cl Cn1cnc(c1Cl)[*:1] CC1(CNS(=O)(=O)[*:1])Cc2ccccc2C1
Cc1nn2c(C)c(C(=O)Nc3ccccc3F)cnc2c1-c1ccccc1 Fc1ccccc1[*:1] Cc1nn2c(C)c(cnc2c1-c1ccccc1)C(=O)N[*:1]
Cc1nn2c(C)c(C(=O)Nc3ccccc3F)cnc2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn2c(C)c(cnc2c1[*:1])C(=O)Nc1ccccc1F
CCOc1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1 N#Cc1ccncc1[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1 CCO[*:1] N#Cc1ccncc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CN(CCOc1ncc(C(F)(F)F)cc1Cl)C(=O)Cc1ccccc1 FC(F)(F)[*:1] CN(CCOc1ncc(cc1Cl)[*:1])C(=O)Cc1ccccc1
CN(CCOc1ncc(C(F)(F)F)cc1Cl)C(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CN(CCOc1ncc(cc1Cl)C(F)(F)F)C(=O)C[*:1]
CN(CCOc1ncc(C(F)(F)F)cc1Cl)C(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] CN(CCOc1ncc(cc1Cl)C(F)(F)F)C(=O)[*:1]
Cc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ncccn3)cc2C)c(C)o1 c1cnc(nc1)O[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)Nc1ccc(cc1C)[*:1]
Cc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ncccn3)cc2C)c(C)o1 c1cnc(nc1)[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)Nc1ccc(cc1C)O[*:1]
Cc1cc([C@H](C)NC(=O)Nc2ccc(Oc3ncccn3)cc2C)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1cc(ccc1NC(=O)N[C@@H](C)[*:1])Oc1ncccn1
C[C@@H](O)C[C@@H](C)CNC(=O)Cn1ccc2ccccc21 C[C@@H](O)C[*:1] C[C@@H](CNC(=O)Cn1ccc2ccccc21)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Cn1ccc2ccccc21 C[C@@H](O)[*:1] C[C@@H](CNC(=O)Cn1ccc2ccccc21)C[*:1]
COCc1cccc(N2CC(=O)N3CCC[C@H]3C2=O)c1 COC[*:1] O=C1[C@@H]2CCCN2C(=O)CN1c1cccc(c1)[*:1]
O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H](c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H](CC1)[*:1]
O=C(CN1C(=O)C2(CCOCC2)c2ccccc21)NCc1ccccc1OC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN1C(=O)C2(CCOCC2)c2ccccc21)NCc1ccccc1O[*:1]
O=C(CN1C(=O)C2(CCOCC2)c2ccccc21)NCc1ccccc1OC1CCCCC1 C1CCC(CC1)O[*:1] O=C(CN1C(=O)C2(CCOCC2)c2ccccc21)NCc1ccccc1[*:1]
COc1ccc(-c2csc(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)-c1csc(Cc2nc(no2)-c2ccc(cc2)[*:1])n1
COc1ccc(-c2csc(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1OC COc1ccc(cc1OC)[*:1] FC(F)(F)c1ccc(cc1)-c1noc(Cc2nc(cs2)[*:1])n1
COc1ccc(-c2csc(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1OC FC(F)(F)c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1csc(Cc2nc(no2)[*:1])n1
CC(=O)Nc1nc2c(s1)CN(CC#N)CC2 N#CC[*:1] CC(=O)Nc1nc2CCN(Cc2s1)[*:1]
CC(=O)Nc1nc2c(s1)CN(CC#N)CC2 CC(=O)N[*:1] N#CCN1CCc2nc(sc2C1)[*:1]
COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@@H]2CCCO)c1 CC(=O)N1CCC(CC1)O[*:1] COc1ccc(c(c1)C(=O)N1CCCC[C@@H]1CCCO)[*:1]
COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@@H]2CCCO)c1 CC(=O)N1CCC(CC1)[*:1] COc1ccc(O[*:1])c(c1)C(=O)N1CCCC[C@@H]1CCCO
COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@@H]2CCCO)c1 OCC[*:1] COc1ccc(OC2CCN(CC2)C(C)=O)c(c1)C(=O)N1CCCC[C@@H]1C[*:1]
COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@@H]2CCCO)c1 OCCC[*:1] COc1ccc(OC2CCN(CC2)C(C)=O)c(c1)C(=O)N1CCCC[C@H]1[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\[O-])c1cnc(-c2ccccc2)s1 Cc1nn(C)c(C)c1[*:1] O=S(=O)(/N=C(\[O-])c1cnc(s1)-c1ccccc1)[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\[O-])c1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\[O-])c1cnc(s1)[*:1]
O=C(CSCC(F)(F)F)/N=C1/NCCS1 FC(F)(F)C[*:1] O=C(CS[*:1])/N=C1/NCCS1
O=C(CSCC(F)(F)F)/N=C1/NCCS1 FC(F)(F)[*:1] O=C(CSC[*:1])/N=C1/NCCS1
CN(C)C(=O)Nc1cccc(/C=C/C(=O)[O-])n1 O=C([O-])C=C[*:1] CN(C)C(=O)Nc1cccc(n1)[*:1]
CN(C)C(=O)Nc1cccc(/C=C/C(=O)[O-])n1 O=C([O-])[*:1] CN(C)C(=O)Nc1cccc(C=C[*:1])n1
O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCSc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCS[*:1]
O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCSc1ccccc1 c1ccc(cc1)S[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)NCCC[*:1]
O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCSc1ccccc1 c1ccc(cc1)SC[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)NCC[*:1]
Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)n(C)n3)nc2c1C c1cncc(c1)[*:1] Cc1ccc2sc(nc2c1C)N(C[*:1])C(=O)c1cc(C)n(C)n1
Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)n(C)n3)nc2c1C Cc1cc(nn1C)[*:1] Cc1ccc2sc(nc2c1C)N(Cc1cccnc1)C(=O)[*:1]
Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)n(C)n3)nc2c1C c1cncc(c1)C[*:1] Cc1ccc2sc(nc2c1C)N(C(=O)c1cc(C)n(C)n1)[*:1]
CCCS(=O)(=O)N1CCC(NC(=O)CNC(=O)c2cccs2)CC1 c1csc(c1)[*:1] CCCS(=O)(=O)N1CCC(CC1)NC(=O)CNC(=O)[*:1]
CCCS(=O)(=O)N1CCC(NC(=O)CNC(=O)c2cccs2)CC1 CCC[*:1] O=C(CNC(=O)c1cccs1)NC1CCN(CC1)S(=O)(=O)[*:1]
CCCS(=O)(=O)N1CCC(NC(=O)CNC(=O)c2cccs2)CC1 O=C(N[*:1])c1cccs1 CCCS(=O)(=O)N1CCC(CC1)NC(=O)C[*:1]
C[C@H](O)C[C@@H](C)C[NH2+]Cc1cccc(C(F)(F)F)c1 C[C@H](O)C[*:1] C[C@@H](C[NH2+]Cc1cccc(c1)C(F)(F)F)[*:1]
C[C@H](O)C[C@@H](C)C[NH2+]Cc1cccc(C(F)(F)F)c1 C[C@H](O)[*:1] C[C@@H](C[NH2+]Cc1cccc(c1)C(F)(F)F)C[*:1]
C[C@H](O)C[C@@H](C)C[NH2+]Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](O)C[C@@H](C)C[NH2+]Cc1cccc(c1)[*:1]
CCOc1ccc(-c2[nH+]ccn2CCc2cnccn2)cc1CO c1cnc(cn1)[*:1] CCOc1ccc(cc1CO)-c1[nH+]ccn1CC[*:1]
CCOc1ccc(-c2[nH+]ccn2CCc2cnccn2)cc1CO c1cnc(cn1)C[*:1] CCOc1ccc(cc1CO)-c1[nH+]ccn1C[*:1]
CCOc1ccc(-c2[nH+]ccn2CCc2cnccn2)cc1CO c1cnc(cn1)CC[*:1] CCOc1ccc(cc1CO)-c1[nH+]ccn1[*:1]
CCOc1ccc(-c2[nH+]ccn2CCc2cnccn2)cc1CO CCO[*:1] OCc1cc(ccc1[*:1])-c1[nH+]ccn1CCc1cnccn1
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C2CCN(C(=O)c3ccccc3F)CC2)s1 Fc1ccccc1[*:1] O=C(Nc1ccc2OCOc2c1)c1nnc(s1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1nnc(C2CCN(C(=O)c3ccccc3F)CC2)s1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])c1nnc(s1)C1CCN(CC1)C(=O)c1ccccc1F
COCc1cccc(C(=O)N2CC=C(c3ccc(OC)cc3)CC2)c1 COC[*:1] COc1ccc(cc1)C1=CCN(CC1)C(=O)c1cccc(c1)[*:1]
COCc1cccc(C(=O)N2CC=C(c3ccc(OC)cc3)CC2)c1 COc1ccc(cc1)[*:1] COCc1cccc(c1)C(=O)N1CC=C(CC1)[*:1]
CC[C@](C)([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 CC[C@](C)([NH3+])[*:1] C[NH+](C)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2cnccn2)CC1 c1ccc(cc1)C[*:1] O=C(C[*:1])Nc1ccnn1C1CCN(CC1)C(=O)c1cnccn1
O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2cnccn2)CC1 c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1ccnn1C1CCN(CC1)C(=O)c1cnccn1
O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2cnccn2)CC1 c1cnc(cn1)[*:1] O=C(CCc1ccccc1)Nc1ccnn1C1CCN(CC1)C(=O)[*:1]
O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2cnccn2)CC1 c1ccc(cc1)CC[*:1] O=C(c1cnccn1)N1CCC(CC1)n1nccc1NC(=O)[*:1]
CNS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C(C)C)c1C CC(C)[*:1] CNS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2[*:1])c1C
CNS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C(C)C)c1C CNS(=O)(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)N[C@@H]1CCCC[C@H]1C(C)C
C=COCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 C=CO[*:1] [NH3+][C@H]1CCC[C@H](C1)[NH2+]CCC[*:1]
C=COCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 C=COC[*:1] [NH3+][C@H]1CCC[C@H](C1)[NH2+]CC[*:1]
CCCC(CCC)CC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] CCCC(CCC)CC(=O)N1CCC[C@@H]1[*:1]
CCCC(CCC)CC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C CCCC(CCC)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C[*:1]
CCCC(CCC)CC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C CCC[*:1] CCCC(CC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)[*:1]
O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](Cc1ccccc1)C(F)(F)F)[*:1]
O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C(F)(F)F)c1ccccc1
O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] O=C(N[C@H](Cc1ccccc1)[*:1])c1ccccc1
O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@H](C(F)(F)F)[*:1])c1ccccc1
O=C(NCCCc1cccc(F)c1)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(NCCCc1cccc(F)c1)C(=O)Nc1cnc(s1)[*:1]
O=C(NCCCc1cccc(F)c1)C(=O)Nc1cnc(-c2ccccc2)s1 Fc1cccc(c1)[*:1] O=C(NCCC[*:1])C(=O)Nc1cnc(s1)-c1ccccc1
O=C(NCCCc1cccc(F)c1)C(=O)Nc1cnc(-c2ccccc2)s1 Fc1cccc(c1)C[*:1] O=C(NCC[*:1])C(=O)Nc1cnc(s1)-c1ccccc1
O=C(NCCCc1cccc(F)c1)C(=O)Nc1cnc(-c2ccccc2)s1 Fc1cccc(c1)CC[*:1] O=C(NC[*:1])C(=O)Nc1cnc(s1)-c1ccccc1
CCCNc1c(/N=C(\O)[C@H]2CC(=O)N(c3ccccc3)C2)c(=O)oc2ccccc12 c1ccc(cc1)[*:1] CCCNc1c(/N=C(\O)[C@H]2CC(=O)N(C2)[*:1])c(=O)oc2ccccc12
CCCNc1c(/N=C(\O)[C@H]2CC(=O)N(c3ccccc3)C2)c(=O)oc2ccccc12 CCC[*:1] O=C1C[C@@H](CN1c1ccccc1)/C(O)=N/c1c(N[*:1])c2ccccc2oc1=O
CCCNc1c(/N=C(\O)[C@H]2CC(=O)N(c3ccccc3)C2)c(=O)oc2ccccc12 CCCN[*:1] O=C1C[C@@H](CN1c1ccccc1)/C(O)=N/c1c(c2ccccc2oc1=O)[*:1]
O=C(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccccc1Cl C1CN(CCO1)[*:1] O=C(NC[C@@H](c1ccsc1)[*:1])c1ccccc1Cl
O=C(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NC[C@@H](c1ccsc1)N1CCOCC1)[*:1]
O=C(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccccc1Cl c1cc(cs1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1ccccc1Cl
CC(C)c1cc(C(=O)N(CCC(F)(F)F)C2CCCC2)n[nH]1 C1CCC(C1)[*:1] CC(C)c1cc(n[nH]1)C(=O)N(CCC(F)(F)F)[*:1]
CC(C)c1cc(C(=O)N(CCC(F)(F)F)C2CCCC2)n[nH]1 FC(F)(F)CC[*:1] CC(C)c1cc(n[nH]1)C(=O)N(C1CCCC1)[*:1]
CC(C)c1cc(C(=O)N(CCC(F)(F)F)C2CCCC2)n[nH]1 FC(F)(F)[*:1] CC(C)c1cc(n[nH]1)C(=O)N(CC[*:1])C1CCCC1
CC(C)c1cc(C(=O)N(CCC(F)(F)F)C2CCCC2)n[nH]1 FC(F)(F)C[*:1] CC(C)c1cc(n[nH]1)C(=O)N(C[*:1])C1CCCC1
CC(C)c1cc(C(=O)N(CCC(F)(F)F)C2CCCC2)n[nH]1 CC(C)[*:1] O=C(c1cc([nH]n1)[*:1])N(CCC(F)(F)F)C1CCCC1
CCOc1ccc(CNC(=O)Cc2c(C(=O)[O-])c(C)cn2C)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)CNC(=O)Cc1c(c(C)cn1C)[*:1]
CCOc1ccc(CNC(=O)Cc2c(C(=O)[O-])c(C)cn2C)cc1 CCO[*:1] Cc1cn(C)c(CC(=O)NCc2ccc(cc2)[*:1])c1C(=O)[O-]
Cc1c(C(=O)Nc2cc[nH]n2)cnn1-c1ccncc1 c1cc(n[nH]1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N[*:1]
Cc1c(C(=O)Nc2cc[nH]n2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cc[nH]n1
Cc1ccc(C)c(Cn2c(N/N=C/c3c(F)cccc3Cl)nc3c2c(=O)[nH]c(=O)n3C)c1 Cc1ccc(C)c(c1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1c(F)cccc1Cl)n2[*:1]
Cc1ccc(C)c(Cn2c(N/N=C/c3c(F)cccc3Cl)nc3c2c(=O)[nH]c(=O)n3C)c1 Fc1cccc(Cl)c1[*:1] Cc1ccc(C)c(c1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)NN=C[*:1]
Cc1ccc(C)c(Cn2c(N/N=C/c3c(F)cccc3Cl)nc3c2c(=O)[nH]c(=O)n3C)c1 Cc1ccc(C)c(c1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1c(F)cccc1Cl)n2C[*:1]
COCCn1c(SCc2nc(C(C)C)no2)nc2ccccc2c1=O CC(C)[*:1] COCCn1c(nc2ccccc2c1=O)SCc1nc(no1)[*:1]
COCCn1c(SCc2nc(C(C)C)no2)nc2ccccc2c1=O COC[*:1] CC(C)c1noc(CSc2nc3ccccc3c(=O)n2C[*:1])n1
COCCn1c(SCc2nc(C(C)C)no2)nc2ccccc2c1=O COCC[*:1] CC(C)c1noc(CSc2nc3ccccc3c(=O)n2[*:1])n1
COCCn1c(SCc2nc(C(C)C)no2)nc2ccccc2c1=O CC(C)c1noc(n1)[*:1] COCCn1c(nc2ccccc2c1=O)SC[*:1]
COc1ccc([C@@H](C)N(C)C(=O)C[C@H](O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](C)N(C)C(=O)C[C@H](O)[*:1]
COc1ccc([C@@H](C)N(C)C(=O)C[C@H](O)c2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)C[C@H](O)c1ccc(Cl)cc1)[*:1]
CCn1c([C@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 c1ccc(cc1)C[*:1] CCn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
CCn1c([C@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(nc2ccccc21)[C@H](C)NC(=O)C[*:1]
C[NH2+][C@H](C[C@H](C)CC(C)(C)C)c1ccc(F)c(Br)c1 CC(C)(C)[*:1] C[NH2+][C@H](C[C@H](C)C[*:1])c1ccc(F)c(Br)c1
C[NH2+][C@H](C[C@H](C)CC(C)(C)C)c1ccc(F)c(Br)c1 CC(C)(C)C[*:1] C[NH2+][C@H](C[C@H](C)[*:1])c1ccc(F)c(Br)c1
Cc1n[nH]c(-c2cccc(CNC(=O)c3cccc(-n4cccn4)c3)c2)n1 c1cnn(c1)[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)c1cccc(c1)[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)c3cccc(-n4cccn4)c3)c2)n1 Cc1n[nH]c(n1)[*:1] O=C(NCc1cccc(c1)[*:1])c1cccc(c1)-n1cccn1
Cc1cc(NC(=O)N(C)[C@H](C)CC#N)ccc1F N#CC[*:1] Cc1cc(ccc1F)NC(=O)N(C)[C@H](C)[*:1]
COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nnc(C3CCCCC3)s1)C=C2 C1CCC(CC1)[*:1] COc1cc2C=CN(CC(=O)Nc3nnc(s3)[*:1])C(=O)Cc2cc1OC
CCNc1cccc(CN2CCOC[C@@H]2CC)[nH+]1 CCN[*:1] CC[C@H]1COCCN1Cc1cccc([nH+]1)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C(C)(C)F CC(C)(F)[*:1] C[C@H]1Cc2ccccc2N1C(=O)COC(=O)[*:1]
Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@H](OCCC(C)C)C1)CC2 CC(C)CC[*:1] Cc1ccc2CCN(C(=O)C(=O)N3CC[C@@H](C3)O[*:1])c2c1
Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@H](OCCC(C)C)C1)CC2 CC(C)CCO[*:1] Cc1ccc2CCN(C(=O)C(=O)N3CC[C@H](C3)[*:1])c2c1
Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@H](OCCC(C)C)C1)CC2 CC(C)C[*:1] Cc1ccc2CCN(C(=O)C(=O)N3CC[C@@H](C3)OC[*:1])c2c1
Cc1ccc2c(c1)N(C(=O)C(=O)N1CC[C@H](OCCC(C)C)C1)CC2 CC(C)[*:1] Cc1ccc2CCN(C(=O)C(=O)N3CC[C@@H](C3)OCC[*:1])c2c1
COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3F)o2)cc1 Fc1cc(Cl)ccc1[*:1] COc1ccc(cc1)Cc1nnc(o1)SC[*:1]
COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3F)o2)cc1 COc1ccc(cc1)[*:1] Fc1cc(Cl)ccc1CSc1nnc(C[*:1])o1
O=C1CC[n+]2ccc(-c3ccccc3)c3cccc(c32)N1 c1ccc(cc1)[*:1] O=C1CC[n+]2ccc(c3cccc(N1)c32)[*:1]
C[C@@H](Nc1cc[nH+]cc1NC(=O)/C=C/c1cnn(C)c1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](Nc1cc[nH+]cc1NC(=O)/C=C/c1cnn(C)c1)[*:1]
C[C@@H](Nc1cc[nH+]cc1NC(=O)/C=C/c1cnn(C)c1)[C@H]1CCCO1 Cn1cc(cn1)[*:1] C[C@@H](Nc1cc[nH+]cc1NC(=O)C=C[*:1])[C@H]1CCCO1
C[C@@H](Nc1cc[nH+]cc1NC(=O)/C=C/c1cnn(C)c1)[C@H]1CCCO1 Cn1cc(C=C[*:1])cn1 C[C@@H](Nc1cc[nH+]cc1NC(=O)[*:1])[C@H]1CCCO1
COc1ccc(Cc2n[nH]c(/N=C(\[O-])Cn3cnc4ccccc4c3=O)n2)cc1 COc1ccc(cc1)[*:1] O=c1c2ccccc2ncn1C/C([O-])=N/c1nc(C[*:1])n[nH]1
COc1ccc(Cc2n[nH]c(/N=C(\[O-])Cn3cnc4ccccc4c3=O)n2)cc1 COc1ccc(cc1)C[*:1] O=c1c2ccccc2ncn1C/C([O-])=N/c1nc(n[nH]1)[*:1]
CCOC(=O)c1cccc(-n2nnc3c(sc4nc(C)cc(COC)c43)c2=O)c1 CCOC(=O)[*:1] COCc1cc(C)nc2sc3c(=O)n(nnc3c12)-c1cccc(c1)[*:1]
CCOC(=O)c1cccc(-n2nnc3c(sc4nc(C)cc(COC)c43)c2=O)c1 COC[*:1] CCOC(=O)c1cccc(c1)-n1nnc2c(sc3nc(C)cc(c32)[*:1])c1=O
O=C([O-])/C=C/c1ccc(Br)cc1-n1ccnc1 O=C([O-])C=C[*:1] Brc1ccc(c(c1)-n1ccnc1)[*:1]
O=C([O-])/C=C/c1ccc(Br)cc1-n1ccnc1 c1cn(cn1)[*:1] O=C([O-])/C=C/c1ccc(Br)cc1[*:1]
O=C([O-])/C=C/c1ccc(Br)cc1-n1ccnc1 O=C([O-])[*:1] Brc1ccc(C=C[*:1])c(c1)-n1ccnc1
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)on1 Fc1ccc(cc1Cl)[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)on1 Cc1cc(on1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(F)c(Cl)c1)[*:1]
CCC1(C(=O)N2CCCC[C@@H]2CC[NH3+])CCCC1 [NH3+]CC[*:1] CCC1(CCCC1)C(=O)N1CCCC[C@H]1[*:1]
CC(C)(C)c1ccccc1C(=O)NC[C@H]1CCCN(c2ncccn2)C1 CC(C)(C)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)c1ccccc1[*:1]
CC(C)(C)c1ccccc1C(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CC(C)(C)c1ccccc1C(=O)NC[C@H]1CCCN(C1)[*:1]
O=C(c1cncc([N-]S(=O)(=O)c2ccccc2)c1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(c1cncc(c1)[N-]S(=O)(=O)[*:1])N1CCOCC1
O=C(c1cncc([N-]S(=O)(=O)c2ccccc2)c1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)([N-]c1cncc(c1)[*:1])c1ccccc1
Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)Nc1ccccc1C(=O)N(C)[*:1]
Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1
Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1 Cc1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1)[*:1]
Cc1cccc(CSc2nc3ncc4c(n3n2)C[C@@H](c2ccccc2C)CC4=O)c1 Cc1cccc(c1)CS[*:1] Cc1ccccc1[C@H]1CC(=O)c2cnc3nc(nn3c2C1)[*:1]
Cc1cccc(CSc2nc3ncc4c(n3n2)C[C@@H](c2ccccc2C)CC4=O)c1 Cc1cccc(c1)C[*:1] Cc1ccccc1[C@H]1CC(=O)c2cnc3nc(nn3c2C1)S[*:1]
Cc1cccc(CSc2nc3ncc4c(n3n2)C[C@@H](c2ccccc2C)CC4=O)c1 Cc1ccccc1[*:1] Cc1cccc(c1)CSc1nc2ncc3C(=O)C[C@H](Cc3n2n1)[*:1]
Cc1cccc(CSc2nc3ncc4c(n3n2)C[C@@H](c2ccccc2C)CC4=O)c1 Cc1cccc(c1)[*:1] Cc1ccccc1[C@H]1CC(=O)c2cnc3nc(nn3c2C1)SC[*:1]
CCC1(C)COC2(OC1)C(=O)N(CN1CCN(c3ccccc3F)CC1)c1ccccc12 Fc1ccccc1[*:1] CCC1(C)COC2(OC1)C(=O)N(CN1CCN(CC1)[*:1])c1ccccc12
Cc1cnn(C[C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cnn(c1)C[C@@H](C)[NH2+]Cc1c[nH]nc1[*:1]
Cc1cnn(C[C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1 Cc1cnn(c1)[*:1] C[C@H](C[*:1])[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1
Cc1cnn(C[C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1 Cc1cnn(c1)C[*:1] C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)[*:1]
CCC(C)(C)NC(=O)c1ccnc(OC2CCC2)c1 CCC(C)(C)[*:1] O=C(N[*:1])c1ccnc(c1)OC1CCC1
CCC(C)(C)NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] CCC(C)(C)NC(=O)c1ccnc(c1)[*:1]
CCC(C)(C)NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] CCC(C)(C)NC(=O)c1ccnc(c1)O[*:1]
Cc1cnc(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])O2)s1 Cc1cnc(s1)[*:1] O=C(NC[C@H]1CC[C@@H](O1)C(=O)[O-])N[*:1]
Cc1cnc(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])O2)s1 O=C([O-])[*:1] Cc1cnc(NC(=O)NC[C@H]2CC[C@H](O2)[*:1])s1
Cc1cccc(N(Cc2nc3nc(C)cc([O-])n3n2)C(=O)C(C)(C)C)c1 Cc1cccc(c1)[*:1] Cc1cc([O-])n2nc(CN(C(=O)C(C)(C)C)[*:1])nc2n1
Cc1cccc(N(Cc2nc3nc(C)cc([O-])n3n2)C(=O)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)N(Cc1nc2nc(C)cc([O-])n2n1)C(=O)[*:1]
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CC=CCC3)c2)cc1 N#CCc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)CO[*:1])N[C@@H]1CC=CCC1
N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CC=CCC3)c2)cc1 N#CC[*:1] O=C(Nc1cccc(c1)COc1ccc(cc1)[*:1])N[C@@H]1CC=CCC1
CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 Fc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)C(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1]
CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 CCc1ccccc1[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)N[*:1])c1ccc(F)cc1
O=C1CS[C@H](c2ccc(F)c(F)c2)N1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C1CS[C@H](c2ccc(F)c(F)c2)N1[*:1]
CCCn1/c(=N/C(=O)c2ccc[nH]c2=S)[nH]c2ccccc21 S=c1[nH]cccc1[*:1] CCCn1/c(=N/C(=O)[*:1])[nH]c2ccccc21
CCCn1/c(=N/C(=O)c2ccc[nH]c2=S)[nH]c2ccccc21 CCC[*:1] O=C(/N=c1\[nH]c2ccccc2n1[*:1])c1ccc[nH]c1=S
CCS(=O)(=O)C[C@@H](C)NC(=O)c1cnn(C)c1-n1cccc1 c1ccn(c1)[*:1] CCS(=O)(=O)C[C@@H](C)NC(=O)c1cnn(C)c1[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)c1cnn(C)c1-n1cccc1 CCS(=O)(=O)C[*:1] C[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)c1cnn(C)c1-n1cccc1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)c1cnn(C)c1-n1cccc1
C[C@@H](O)[C@H]1CCOC2(CCC2)C1 C[C@@H](O)[*:1] C1CC2(C1)C[C@H](CCO2)[*:1]
C[C@H]1CCC[C@H](O[C@@H]2CC[C@]([NH2+]C3CC3)(C(N)=O)C2)C1 C1CC1[*:1] C[C@H]1CCC[C@@H](C1)O[C@@H]1CC[C@](C1)([NH2+][*:1])C(N)=O
C[C@H]1CCC[C@H](O[C@@H]2CC[C@]([NH2+]C3CC3)(C(N)=O)C2)C1 NC(=O)[*:1] C[C@H]1CCC[C@@H](C1)O[C@@H]1CC[C@@](C1)([NH2+]C1CC1)[*:1]
CS(=O)(=O)N1CCC[C@@H](NC(=O)NC2(c3cccc(Cl)c3)CC2)C1 Clc1cccc(c1)[*:1] CS(=O)(=O)N1CCC[C@H](C1)NC(=O)NC1(CC1)[*:1]
C=CCN(Cc1ccccc1OCC)C(=O)c1nc([O-])c2ccccc2n1 CCOc1ccccc1[*:1] C=CCN(C[*:1])C(=O)c1nc([O-])c2ccccc2n1
C=CCN(Cc1ccccc1OCC)C(=O)c1nc([O-])c2ccccc2n1 CCO[*:1] C=CCN(Cc1ccccc1[*:1])C(=O)c1nc([O-])c2ccccc2n1
C=CCN(Cc1ccccc1OCC)C(=O)c1nc([O-])c2ccccc2n1 C=CC[*:1] CCOc1ccccc1CN(C(=O)c1nc([O-])c2ccccc2n1)[*:1]
C[NH2+]C1CCC(N(C)C/C(Cl)=C/Cl)CC1 Cl/C=C(\Cl)[*:1] C[NH2+]C1CCC(CC1)N(C)C[*:1]
C[NH2+]C1CCC(N(C)C/C(Cl)=C/Cl)CC1 Cl/C=C(\Cl)C[*:1] C[NH2+]C1CCC(CC1)N(C)[*:1]
Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(C)no2)c(C)c1 Cc1cc(on1)[*:1] Cc1ccc(c(C)c1)-n1cnnc1SCC(=O)N[*:1]
Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(C)no2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cc(NC(=O)CSc2nncn2[*:1])on1
O=C([O-])c1cc(S(=O)(=O)ON2C(=O)c3cccc4cccc(c34)C2=O)ccc1Br O=C([O-])[*:1] O=C1c2cccc3cccc(C(=O)N1OS(=O)(=O)c1ccc(Br)c(c1)[*:1])c23
CC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1c(F)cccc1Cl C[S@](=O)[*:1] CC[C@H]([NH2+]CC[C@H](C)[*:1])c1c(F)cccc1Cl
O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c2ccccc2nc(C[*:1])n1-c1ccccc1
O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c2ccccc2nc(Cc2ccccc2)n1[*:1]
O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccccc1 c1ccc(cc1)C[*:1] O=c1c2ccccc2nc(n1-c1ccccc1)[*:1]
CC(=O)N[C@H](CC(=O)NCc1nc(C)sc1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)NCc1nc(C)sc1C)[*:1]
CC(=O)N[C@H](CC(=O)NCc1nc(C)sc1C)c1ccc(Cl)cc1 Cc1nc(C[*:1])c(C)s1 CC(=O)N[C@H](CC(=O)N[*:1])c1ccc(Cl)cc1
CC(=O)N[C@H](CC(=O)NCc1nc(C)sc1C)c1ccc(Cl)cc1 CC(=O)N[*:1] Cc1nc(CNC(=O)C[C@H](c2ccc(Cl)cc2)[*:1])c(C)s1
CC(=O)N[C@H](CC(=O)NCc1nc(C)sc1C)c1ccc(Cl)cc1 Cc1nc(c(C)s1)[*:1] CC(=O)N[C@H](CC(=O)NC[*:1])c1ccc(Cl)cc1
NS(=O)(=O)c1cccc(CNC(=O)N[C@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)c1 NS(=O)(=O)[*:1] O=C(NCc1cccc(c1)[*:1])N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
CCOC(=O)C[C@](C)([NH3+])c1ccccc1Cl CCOC(=O)[*:1] C[C@]([NH3+])(C[*:1])c1ccccc1Cl
CCCc1[nH+]ccn1[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 CCC[*:1] [NH3+][C@@]1(CCC[C@H](C1)n1cc[nH+]c1[*:1])C(=O)[O-]
CCCc1[nH+]ccn1[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 O=C([O-])[*:1] CCCc1[nH+]ccn1[C@@H]1CCC[C@]([NH3+])(C1)[*:1]
O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3nc[nH]n3)o2)c(Cl)c1 O=[N+]([O-])[*:1] Clc1cc(ccc1-c1ccc(/C=N/c2nc[nH]n2)o1)[*:1]
CCc1nnc(NC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)s1 O=Cc1ccc(cc1)[*:1] CCc1nnc(NC(=O)c2oc(cc2C)CO[*:1])s1
CCc1nnc(NC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)s1 CCc1nnc(s1)[*:1] Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[*:1]
Cc1cc2n(n1)[C@H](c1ccccc1)CC(c1ccc(Br)cc1)=N2 Brc1ccc(cc1)[*:1] Cc1cc2N=C(C[C@@H](c3ccccc3)n2n1)[*:1]
Cc1cc2n(n1)[C@H](c1ccccc1)CC(c1ccc(Br)cc1)=N2 c1ccc(cc1)[*:1] Cc1cc2N=C(C[C@@H](n2n1)[*:1])c1ccc(Br)cc1
COc1ccc(C)cc1NC(=O)/C=C\c1cccc(Br)c1 Brc1cccc(c1)[*:1] COc1ccc(C)cc1NC(=O)C=C[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 CCC[*:1] O=C(Nc1cccc(c1)-c1ccc2OCCc2c1)C(=O)N[C@H]1C[C@H]1[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 c1cc2OCCc2cc1[*:1] CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C(C)C)cc1C Cc1ccc(cc1C)[*:1] CC(C)n1c(nnc1-c1ccc2OCCCOc2c1)SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C(C)C)cc1C CC(C)[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(-c2ccc3OCCCOc3c2)n1[*:1]
Cc1c(C(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1nnc(o1)-c1ccc(cc1)S(C)(=O)=O
Cc1c(C(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)cccc1[N+](=O)[O-] CS(=O)(=O)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1nnc(o1)-c1ccc(cc1)[*:1]
CC(C)(C)C(=O)NNC(=O)c1ccccc1I CC(C)(C)[*:1] O=C(NNC(=O)[*:1])c1ccccc1I
Cc1cc(C(=O)NCc2ccccc2)c2c(C)nn(C)c2n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NC[*:1])c2c(C)nn(C)c2n1
Cc1cc(C(=O)NCc2ccccc2)c2c(C)nn(C)c2n1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)N[*:1])c2c(C)nn(C)c2n1
COC(=O)[C@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)c1cc(nc2c1cnn2C(C)C)-c1cccs1)[*:1]
COC(=O)[C@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1ccccc1 c1csc(c1)[*:1] COC(=O)[C@H](NC(=O)c1cc(nc2c1cnn2C(C)C)[*:1])c1ccccc1
COC(=O)[C@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1ccccc1 CC(C)[*:1] COC(=O)[C@H](NC(=O)c1cc(nc2c1cnn2[*:1])-c1cccs1)c1ccccc1
COC(=O)[C@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1ccccc1 COC(=O)[*:1] CC(C)n1ncc2c(cc(nc21)-c1cccs1)C(=O)N[C@H](c1ccccc1)[*:1]
O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@@H]3c3ccc[nH]3)ccc2[nH]1 c1c[nH]c(c1)[*:1] O=c1[nH]c(=O)c2cc(ccc2[nH]1)S(=O)(=O)N1CCC[C@H]1[*:1]
COc1ccc(F)c(NC(=O)NC[C@](C)(O)c2ccsc2)c1 c1cc(cs1)[*:1] COc1ccc(F)c(c1)NC(=O)NC[C@](C)(O)[*:1]
O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cc(Br)ccc1O)c1c(O)n[nH]c1N2 c1csc(c1)[*:1] O=C1C[C@H](CC2Nc3[nH]nc(O)c3[C@H](C=21)c1cc(Br)ccc1O)[*:1]
O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cc(Br)ccc1O)c1c(O)n[nH]c1N2 Oc1ccc(Br)cc1[*:1] O=C1C[C@@H](CC2Nc3[nH]nc(O)c3[C@@H](C=21)[*:1])c1cccs1
CCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H](C)[C@@H]3CO)ccc21 CCC[*:1] C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3[*:1])[C@H]1CO
CC(C)C(=O)Cc1nc([C@@]2(C)CCCO2)no1 CC(C)[*:1] C[C@@]1(CCCO1)c1noc(CC(=O)[*:1])n1
CC(C)C(=O)Cc1nc([C@@]2(C)CCCO2)no1 CC(C)C(=O)[*:1] C[C@@]1(CCCO1)c1noc(C[*:1])n1
NC(=O)[C@H](CO)NS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 O=C(NC1CCC1)[*:1] NC(=O)[C@H](CO)NS(=O)(=O)c1cccc(c1)[*:1]
NC(=O)[C@H](CO)NS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 C1CC(C1)[*:1] NC(=O)[C@H](CO)NS(=O)(=O)c1cccc(c1)C(=O)N[*:1]
NC(=O)[C@H](CO)NS(=O)(=O)c1cccc(C(=O)NC2CCC2)c1 NC(=O)[*:1] O=C(NC1CCC1)c1cccc(c1)S(=O)(=O)N[C@@H](CO)[*:1]
NC(=O)[C@@H](CNC(=O)NCc1nnc2n1CCCCC2)Cc1ccc(F)cc1 NC(=O)[*:1] O=C(NCc1nnc2CCCCCn21)NC[C@@H](Cc1ccc(F)cc1)[*:1]
NC(=O)[C@@H](CNC(=O)NCc1nnc2n1CCCCC2)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@@H](CNC(=O)NCc1nnc2CCCCCn21)C[*:1]
NC(=O)[C@@H](CNC(=O)NCc1nnc2n1CCCCC2)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] NC(=O)[C@@H](CNC(=O)NCc1nnc2CCCCCn21)[*:1]
CC[C@@H](C)NC(=O)c1cccc(NC=C(C#N)C#N)c1 N#CC(C#N)=C[*:1] CC[C@@H](C)NC(=O)c1cccc(c1)N[*:1]
CC[C@@H](C)NC(=O)c1cccc(NC=C(C#N)C#N)c1 CC[C@@H](C)[*:1] N#CC(C#N)=CNc1cccc(c1)C(=O)N[*:1]
CC(C)n1ncc2cc(/C=C/C(=O)NC[C@](C)(O)C(C)C)c(=O)[nH]c21 CC(C)[*:1] CC(C)[C@@](C)(O)CNC(=O)/C=C/c1cc2cnn(c2[nH]c1=O)[*:1]
CC(C)n1ncc2cc(/C=C/C(=O)NC[C@](C)(O)C(C)C)c(=O)[nH]c21 CC(C)[*:1] CC(C)n1ncc2cc(/C=C/C(=O)NC[C@](C)(O)[*:1])c(=O)[nH]c21
C[C@H]1C[C@@H]([NH2+]CCS(N)(=O)=O)CS1 NS(=O)(=O)[*:1] C[C@H]1C[C@H](CS1)[NH2+]CC[*:1]
CC(C)CC(=O)NCC#CC[NH+]1CCCCC1 CC(C)C[*:1] O=C(NCC#CC[NH+]1CCCCC1)[*:1]
CC(C)CC(=O)NCC#CC[NH+]1CCCCC1 CC(C)[*:1] O=C(C[*:1])NCC#CC[NH+]1CCCCC1
O=C(NC[C@@H](c1cccnc1)N1CCOCC1)Nc1ccccc1 c1cncc(c1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])Nc1ccccc1
O=C(NC[C@@H](c1cccnc1)N1CCOCC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccnc1)N1CCOCC1)N[*:1]
O=C(NC[C@@H](c1cccnc1)N1CCOCC1)Nc1ccccc1 C1CN(CCO1)[*:1] O=C(NC[C@@H](c1cccnc1)[*:1])Nc1ccccc1
CCOc1ccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[*:1])C(c1ccccc1)c1ccccc1
CCOc1ccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1 CCO[*:1] O=C(Nc1nnc(o1)-c1ccc(cc1)[*:1])C(c1ccccc1)c1ccccc1
CCOc1ccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1nnc(NC(=O)C(c2ccccc2)[*:1])o1
CC1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)CC1 c1coc(c1)C[*:1] CC1CCN(CC1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1[*:1]
CC1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)CC1 Clc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)CSc1nnc(n1Cc1ccco1)[*:1]
CC1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)CC1 CC1CCN(CC1)C(=O)[*:1] Clc1ccc(cc1)-c1nnc(SC[*:1])n1Cc1ccco1
CC1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)CC1 c1coc(c1)[*:1] CC1CCN(CC1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[*:1]
COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccccc1F COC(=O)[*:1] COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H]([C@H]1c1ccccc1F)[*:1]
COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccccc1F Fc1ccccc1[*:1] COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@@H]1[*:1]
COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccccc1F COC(=O)[*:1] COC(=O)[C@H]1[C@@H](c2ccccc2F)[C@@H](C(=O)C[C@@]1(C)O)[*:1]
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])[C@@H](C)c2cccc(F)c2)s1 Cc1nc(C)c(s1)[*:1] C[C@H](/C([O-])=N/S(=O)(=O)[*:1])c1cccc(F)c1
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])[C@@H](C)c2cccc(F)c2)s1 Fc1cccc(c1)[*:1] Cc1nc(C)c(s1)S(=O)(=O)/N=C(\[O-])[C@@H](C)[*:1]
CCc1nn(C)cc1NC(=O)N[C@H](c1ccc(F)cc1)C1CC1 C1CC1[*:1] CCc1nn(C)cc1NC(=O)N[C@H](c1ccc(F)cc1)[*:1]
CCc1nn(C)cc1NC(=O)N[C@H](c1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)N[C@H](C1CC1)[*:1]
COc1cc(N(CC2CC[NH2+]CC2)C(C)C)ncn1 CC(C)[*:1] COc1cc(ncn1)N(CC1CC[NH2+]CC1)[*:1]
C[C@@H](NC(=O)c1ccc(C(N)=S)cc1)c1cccc(OCc2ccccn2)c1 NC(=S)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1cccc(c1)OCc1ccccn1
C[C@@H](NC(=O)c1ccc(C(N)=S)cc1)c1cccc(OCc2ccccn2)c1 c1ccc(CO[*:1])nc1 C[C@@H](NC(=O)c1ccc(cc1)C(N)=S)c1cccc(c1)[*:1]
C[C@@H](NC(=O)c1ccc(C(N)=S)cc1)c1cccc(OCc2ccccn2)c1 c1ccc(C[*:1])nc1 C[C@@H](NC(=O)c1ccc(cc1)C(N)=S)c1cccc(c1)O[*:1]
C[C@@H](NC(=O)c1ccc(C(N)=S)cc1)c1cccc(OCc2ccccn2)c1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(N)=S)c1cccc(c1)OC[*:1]
C[C@@H](NC(=O)c1ccc(C(N)=S)cc1)c1cccc(OCc2ccccn2)c1 NC(=S)c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)OCc1ccccn1
CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N(Cc1ccco1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1 c1coc(c1)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C[*:1])C1CC1
CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1 c1coc(c1)C[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C1CC1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1 CC(C)(C)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N(Cc1ccco1)C1CC1
COCCN(Cc1ccco1)C(=O)N[C@H]1CCc2c(Br)cccc21 c1coc(c1)C[*:1] COCCN(C(=O)N[C@H]1CCc2c(Br)cccc21)[*:1]
COCCN(Cc1ccco1)C(=O)N[C@H]1CCc2c(Br)cccc21 COC[*:1] O=C(N[C@H]1CCc2c(Br)cccc21)N(Cc1ccco1)C[*:1]
COCCN(Cc1ccco1)C(=O)N[C@H]1CCc2c(Br)cccc21 COCC[*:1] O=C(N[C@H]1CCc2c(Br)cccc21)N(Cc1ccco1)[*:1]
COCCN(Cc1ccco1)C(=O)N[C@H]1CCc2c(Br)cccc21 c1coc(c1)[*:1] COCCN(C[*:1])C(=O)N[C@H]1CCc2c(Br)cccc21
Cc1cc(C)c(NC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c(C)c1 Cc1occc1C(=O)N[*:1] Cc1cc(C)c(NC(=O)N2CCC(CC2)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c(C)c1 Cc1occc1[*:1] Cc1cc(C)c(NC(=O)N2CCC(CC2)NC(=O)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1occc1C(=O)NC1CCN(CC1)C(=O)N[*:1]
O=C(CSc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)N1CCCC1 c1ccc(cc1)[*:1] O=C(CSc1ccccc1C(=O)N1CCN(CC1)[*:1])N1CCCC1
O=C(CSc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(c1ccccc1S[*:1])N1CCN(CC1)c1ccccc1
O=C(CSc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(c1ccccc1SC[*:1])N1CCN(CC1)c1ccccc1
O=C(CSc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)N1CCCC1 O=C(CS[*:1])N1CCCC1 O=C(c1ccccc1[*:1])N1CCN(CC1)c1ccccc1
C[C@H]1CN(Cc2ccc(CNC(=O)c3cc[nH]n3)cc2)C[C@@H](C)O1 O=C(N[*:1])c1cc[nH]n1 C[C@H]1CN(Cc2ccc(cc2)C[*:1])C[C@@H](C)O1
C[C@H]1CN(Cc2ccc(CNC(=O)c3cc[nH]n3)cc2)C[C@@H](C)O1 c1cc(n[nH]1)[*:1] C[C@H]1CN(Cc2ccc(cc2)CNC(=O)[*:1])C[C@@H](C)O1
CC1(CNC(=O)CNC(=O)c2ccccc2)Cc2ccccc2C1 c1ccc(cc1)[*:1] CC1(CNC(=O)CNC(=O)[*:1])Cc2ccccc2C1
Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4c(C)nn5cccnc45)[C@H]3C2)cc1 Cc1ccc(cc1)[*:1] Cc1nn2cccnc2c1C(=O)N[C@H]1C[C@@H]2CN(C[C@@H]21)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4c(C)nn5cccnc45)[C@H]3C2)cc1 Cc1nn2cccnc2c1[*:1] Cc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@H](NC(=O)[*:1])[C@H]2C1
Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](C)Cn1cc[nH+]c1C c1ccc(cc1)[*:1] Cc1onc(c1C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[*:1]
O=C(Nc1ccccn1)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] O=C(Nc1ccccn1)c1ccnc(c1)[*:1]
O=C(Nc1ccccn1)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] O=C(Nc1ccccn1)c1ccnc(c1)O[*:1]
O=C(Nc1ccccn1)c1ccnc(OC2CCC2)c1 c1ccc(nc1)[*:1] O=C(N[*:1])c1ccnc(c1)OC1CCC1
CCN(C[C@@H]1CCCO1)C(=O)Nc1nnc(C2CC2)s1 C1CC1[*:1] CCN(C[C@@H]1CCCO1)C(=O)Nc1nnc(s1)[*:1]
CCN(C[C@@H]1CCCO1)C(=O)Nc1nnc(C2CC2)s1 C1CO[C@@H](C1)C[*:1] CCN(C(=O)Nc1nnc(s1)C1CC1)[*:1]
CCN(C[C@@H]1CCCO1)C(=O)Nc1nnc(C2CC2)s1 C1CO[C@@H](C1)[*:1] CCN(C[*:1])C(=O)Nc1nnc(s1)C1CC1
Cc1ccsc1[C@@H](C)[C@@H](C)O C[C@@H](O)[*:1] Cc1ccsc1[C@@H](C)[*:1]
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(F)c(Br)c1)c1c([nH]c(=O)[nH]c1=O)N2 Fc1ccc(cc1Br)[*:1] O=C1C[C@@H](CC2Nc3[nH]c(=O)[nH]c(=O)c3[C@H](C=21)[*:1])c1ccco1
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(F)c(Br)c1)c1c([nH]c(=O)[nH]c1=O)N2 c1coc(c1)[*:1] O=C1C[C@H](CC2Nc3[nH]c(=O)[nH]c(=O)c3[C@@H](C=21)c1ccc(F)c(Br)c1)[*:1]
COc1ccc(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)[*:1]
C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@H]1CCc1ccoc1CN(C)C(C)=O CC(=O)N(C)C[*:1] C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)[C@H]1CCc1ccoc1[*:1])C(=O)OC
C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@H]1CCc1ccoc1CN(C)C(C)=O COC(=O)[*:1] C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)[*:1])[C@H]1CCc1ccoc1CN(C)C(C)=O
C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@H]1CCc1ccoc1CN(C)C(C)=O CC(=O)N(C)[*:1] C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)[C@H]1CCc1ccoc1C[*:1])C(=O)OC
O=C(/C=C/c1cccc2ccccc12)NC[C@@H](c1cccs1)N1CCOCC1 c1csc(c1)[*:1] O=C(/C=C/c1cccc2ccccc12)NC[C@@H](N1CCOCC1)[*:1]
O=C(/C=C/c1cccc2ccccc12)NC[C@@H](c1cccs1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(/C=C/c1cccc2ccccc12)NC[C@@H](c1cccs1)[*:1]
Cc1cc(CN(C)C(=O)[C@H]2Cc3ccccc3C(=O)O2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)[C@H]1Cc2ccccc2C(=O)O1
Cc1cc(CN(C)C(=O)[C@H]2Cc3ccccc3C(=O)O2)no1 Cc1cc(C[*:1])no1 CN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)[*:1]
Cc1ccc(Cn2c(=O)c3ccccc3n3c(-c4ccc(C#N)cc4)nnc23)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(cc1)-c1nnc2n(C[*:1])c(=O)c3ccccc3n12
Cc1ccc(Cn2c(=O)c3ccccc3n3c(-c4ccc(C#N)cc4)nnc23)cc1 Cc1ccc(cc1)C[*:1] N#Cc1ccc(cc1)-c1nnc2n(c(=O)c3ccccc3n12)[*:1]
Cc1ccc(Cn2c(=O)c3ccccc3n3c(-c4ccc(C#N)cc4)nnc23)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1c(=O)c2ccccc2n2c(nnc12)[*:1]
CC(C)(C)CC(=O)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)C[*:1] CC(C)(C)CC(=O)N1CCN(CC1)[*:1]
CC(C)(C)CC(=O)N1CCN(Cc2ccsc2)CC1 CC(C)(C)C[*:1] O=C(N1CCN(CC1)Cc1ccsc1)[*:1]
CC(C)(C)CC(=O)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)[*:1] CC(C)(C)CC(=O)N1CCN(CC1)C[*:1]
CC(C)(C)CC(=O)N1CCN(Cc2ccsc2)CC1 CC(C)(C)[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccsc1
COC(=O)[C@H](N[C@@H]1CCOC2(CCCCC2)C1)C(C)C CC(C)[*:1] COC(=O)[C@H](N[C@@H]1CCOC2(CCCCC2)C1)[*:1]
COC(=O)[C@H](N[C@@H]1CCOC2(CCCCC2)C1)C(C)C COC(=O)[*:1] CC(C)[C@@H](N[C@@H]1CCOC2(CCCCC2)C1)[*:1]
O=C(COC(=O)c1cccs1)c1ccc2[nH]c(=O)[nH]c2c1 c1csc(c1)[*:1] O=C(COC(=O)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
O=C(N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 O=C([C@@H](CC1C[NH+]=c2ccccc2=1)[*:1])N1CCN(CC1)c1ncccn1
O=C(N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1 c1cnc(nc1)[*:1] O=C(N[C@H](CC1C[NH+]=c2ccccc2=1)C(=O)N1CCN(CC1)[*:1])c1ccc(F)cc1
O=C(N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C([C@@H](CC1C[NH+]=c2ccccc2=1)NC(=O)[*:1])N1CCN(CC1)c1ncccn1
C/C(=N/NC(=O)CC#N)c1ccc2cc[nH]c2c1 N#CC[*:1] C/C(=N/NC(=O)[*:1])c1ccc2cc[nH]c2c1
CC(=O)C[C@H]1CCCCN1S(=O)(=O)CCS(C)(=O)=O CS(=O)(=O)[*:1] CC(=O)C[C@H]1CCCCN1S(=O)(=O)CC[*:1]
CC(=O)C[C@H]1CCCCN1S(=O)(=O)CCS(C)(=O)=O CS(=O)(=O)C[*:1] CC(=O)C[C@H]1CCCCN1S(=O)(=O)C[*:1]
CC(=O)C[C@H]1CCCCN1S(=O)(=O)CCS(C)(=O)=O CC(=O)[*:1] CS(=O)(=O)CCS(=O)(=O)N1CCCC[C@@H]1C[*:1]
CC(=O)C[C@H]1CCCCN1S(=O)(=O)CCS(C)(=O)=O CC(=O)C[*:1] CS(=O)(=O)CCS(=O)(=O)N1CCCC[C@@H]1[*:1]
CC(=O)C[C@H]1CCCCN1S(=O)(=O)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] CC(=O)C[C@H]1CCCCN1S(=O)(=O)[*:1]
NC(=O)c1ccc(N2C[C@@H]3CCC[C@H]3C2)nn1 NC(=O)[*:1] c1cc(nnc1N1C[C@@H]2CCC[C@H]2C1)[*:1]
NC(=O)C1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)CC1 NC(=O)[*:1] O=C(/C=C/c1cn(nc1-c1cccs1)-c1ccccc1)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)CC1 c1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)/C=C/c1cn(nc1-c1cccs1)[*:1]
NC(=O)C1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)CC1 c1csc(c1)[*:1] NC(=O)C1CCN(CC1)C(=O)/C=C/c1cn(nc1[*:1])-c1ccccc1
CC[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)c1ccoc1)[*:1]
CC[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccccc1 c1cc(co1)[*:1] CC[C@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1])c1ccccc1
NC(=O)[C@H]1CCCC[C@@H]1Nc1nc(C2CC2)ns1 C1CC1[*:1] NC(=O)[C@H]1CCCC[C@@H]1Nc1nc(ns1)[*:1]
NC(=O)[C@H]1CCCC[C@@H]1Nc1nc(C2CC2)ns1 NC(=O)[*:1] C1CC[C@@H]([C@H](C1)Nc1nc(ns1)C1CC1)[*:1]
Cc1c(C(=O)N2CCCCC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 O=C(N1CCCCC1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(Br)cc3)c21)[*:1]
Cc1c(C(=O)N2CCCCC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 Brc1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)N1CCCCC1
C[C@H](NC(=O)N1CCC[C@@H](CCO)C1)c1cccc(-n2cccn2)c1 OCC[*:1] C[C@H](NC(=O)N1CCC[C@@H](C1)[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)N1CCC[C@@H](CCO)C1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)N1CCC[C@@H](CCO)C1)c1cccc(c1)[*:1]
CC[C@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)CN2CC CC[C@H](C)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N(C)[*:1]
O=C(/C=C/c1c(Cl)nc2sccn12)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)NC[*:1]
O=C(/C=C/c1c(Cl)nc2sccn12)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(/C=C/c1c(Cl)nc2sccn12)N[*:1]
Cn1cccc1[C@H]1CCCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] Cn1cccc1[C@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1[*:1]
Cn1cccc1[C@H]1CCCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1F Cn1cccc1[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCCCC[C@@H]1[*:1]
O=C(CCc1nc(-c2ncccn2)no1)N(Cc1cccc(F)c1)C1CC1 Fc1cccc(c1)[*:1] O=C(CCc1nc(no1)-c1ncccn1)N(C[*:1])C1CC1
O=C(CCc1nc(-c2ncccn2)no1)N(Cc1cccc(F)c1)C1CC1 C1CC1[*:1] O=C(CCc1nc(no1)-c1ncccn1)N(Cc1cccc(F)c1)[*:1]
O=C(CCc1nc(-c2ncccn2)no1)N(Cc1cccc(F)c1)C1CC1 c1cnc(nc1)[*:1] O=C(CCc1nc(no1)[*:1])N(Cc1cccc(F)c1)C1CC1
O=C(CCc1nc(-c2ncccn2)no1)N(Cc1cccc(F)c1)C1CC1 Fc1cccc(c1)C[*:1] O=C(CCc1nc(no1)-c1ncccn1)N(C1CC1)[*:1]
CNS(=O)(=O)CCn1ccnc1-c1ccc(-c2ccccc2)s1 CNS(=O)(=O)C[*:1] c1ccc(cc1)-c1ccc(s1)-c1nccn1C[*:1]
CNS(=O)(=O)CCn1ccnc1-c1ccc(-c2ccccc2)s1 CNS(=O)(=O)CC[*:1] c1ccc(cc1)-c1ccc(s1)-c1nccn1[*:1]
CNS(=O)(=O)CCn1ccnc1-c1ccc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CNS(=O)(=O)CCn1ccnc1-c1ccc(s1)[*:1]
CNS(=O)(=O)CCn1ccnc1-c1ccc(-c2ccccc2)s1 CNS(=O)(=O)[*:1] c1ccc(cc1)-c1ccc(s1)-c1nccn1CC[*:1]
NC(=O)c1c[nH]c(C2CC2)n1 NC(=O)[*:1] c1[nH]c(nc1[*:1])C1CC1
NC(=O)c1c[nH]c(C2CC2)n1 C1CC1[*:1] NC(=O)c1c[nH]c(n1)[*:1]
CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CCN(Cc1ccc(OC)c(c1)OC)C(=O)[*:1]
Cc1cc2c(cc1C)[C@@H](NC[C@H](O)c1cccc(OC(F)F)c1)CCO2 FC(F)O[*:1] Cc1cc2OCC[C@H](NC[C@H](O)c3cccc(c3)[*:1])c2cc1C
Cc1cc2c(cc1C)[C@@H](NC[C@H](O)c1cccc(OC(F)F)c1)CCO2 FC(F)[*:1] Cc1cc2OCC[C@H](NC[C@H](O)c3cccc(c3)O[*:1])c2cc1C
CNC(=O)c1[nH]nc2c1CN(c1cc(C3CC[NH2+]CC3)nc(C)n1)CC2 CNC(=O)[*:1] Cc1nc(cc(n1)N1CCc2n[nH]c(c2C1)[*:1])C1CC[NH2+]CC1
Cn1cc(C(=O)Nc2cnn(-c3ccccc3)c2)c(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cn1cc(C(=O)Nc2cnn(c2)-c2ccccc2)c(n1)[*:1]
Cn1cc(C(=O)Nc2cnn(-c3ccccc3)c2)c(-c2ccccc2Cl)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)Nc2cnn(c2)[*:1])c(n1)-c1ccccc1Cl
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NC1CCC(C)CC1)cn2C CC1CCC(CC1)NC(=O)[*:1] CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(cn2C)[*:1]
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NC1CCC(C)CC1)cn2C CC1CCC(CC1)[*:1] CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(cn2C)C(=O)N[*:1]
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NC1CCC(C)CC1)cn2C CCN(CC)S(=O)(=O)[*:1] CC1CCC(CC1)NC(=O)c1cn(C)c2ccc(cc2c1=O)[*:1]
Cc1ccccc1CC(C)(C)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 Cc1ccccc1C[*:1] CC(C)(NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)[*:1]
Cc1ccccc1CC(C)(C)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 Cc1ccccc1[*:1] CC(C)(C[*:1])NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12
CCOc1ncnc(N2CCCC[C@@H]2CO)c1N CCO[*:1] Nc1c(ncnc1[*:1])N1CCCC[C@@H]1CO
CCC[C@H](Cc1ccn(-c2ccccc2)n1)C(=O)[O-] CCC[*:1] O=C([O-])[C@@H](Cc1ccn(n1)-c1ccccc1)[*:1]
CCC[C@H](Cc1ccn(-c2ccccc2)n1)C(=O)[O-] O=C([O-])[*:1] CCC[C@H](Cc1ccn(n1)-c1ccccc1)[*:1]
CCC[C@H](Cc1ccn(-c2ccccc2)n1)C(=O)[O-] c1ccc(cc1)[*:1] CCC[C@H](Cc1ccn(n1)[*:1])C(=O)[O-]
Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 NS(=O)(=O)[*:1] Cc1cc(sc1C(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
CNc1ccc(C[NH+](C)C2CCC(OC)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])C[NH+](C)C1CCC(CC1)OC
Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CNc3ccc(C(C)C)cc3)c2c1C#N CC(C)c1ccc(cc1)N[*:1] Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)C[*:1])c2c1C#N
Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CNc3ccc(C(C)C)cc3)c2c1C#N CC(C)c1ccc(cc1)[*:1] Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CN[*:1])c2c1C#N
Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CNc3ccc(C(C)C)cc3)c2c1C#N CC(C)[*:1] Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CNc3ccc(cc3)[*:1])c2c1C#N
CCOC(=O)N1CCN(C(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)CC1 CC(C)c1nnc(o1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)Cn1c(cc2ccccc21)[*:1]
CCOC(=O)N1CCN(C(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)CC1 CC(C)[*:1] CCOC(=O)N1CCN(CC1)C(=O)Cn1c(cc2ccccc21)-c1nnc(o1)[*:1]
C[C@H]1CCCN(S(=O)(=O)NCCC2CCCCC2)C1 C1CCC(CC1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)NCC[*:1]
CC(C)n1c(NCCc2ccco2)nc2sc3c(c2c1=O)CCCC3 CC(C)[*:1] O=c1c2c3CCCCc3sc2nc(NCCc2ccco2)n1[*:1]
CC(C)n1c(NCCc2ccco2)nc2sc3c(c2c1=O)CCCC3 c1coc(c1)CCN[*:1] CC(C)n1c(nc2sc3CCCCc3c2c1=O)[*:1]
CC(C)n1c(NCCc2ccco2)nc2sc3c(c2c1=O)CCCC3 c1coc(c1)CC[*:1] CC(C)n1c(nc2sc3CCCCc3c2c1=O)N[*:1]
CC(C)n1c(NCCc2ccco2)nc2sc3c(c2c1=O)CCCC3 c1coc(c1)C[*:1] CC(C)n1c(nc2sc3CCCCc3c2c1=O)NC[*:1]
CC(C)n1c(NCCc2ccco2)nc2sc3c(c2c1=O)CCCC3 c1coc(c1)[*:1] CC(C)n1c(nc2sc3CCCCc3c2c1=O)NCC[*:1]
CC(=O)N1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 FC(F)(F)[*:1] CC(=O)N1CC[C@@H](C1)c1nc2ccc(cc2[nH]1)[*:1]
Cc1nn(C)cc1C(=O)NC1(c2ccc(F)cc2F)CCOCC1 Cc1nn(C)cc1[*:1] O=C(NC1(CCOCC1)c1ccc(F)cc1F)[*:1]
Cc1nn(C)cc1C(=O)NC1(c2ccc(F)cc2F)CCOCC1 Fc1ccc(c(F)c1)[*:1] Cc1nn(C)cc1C(=O)NC1(CCOCC1)[*:1]
CCc1nnc(NC(=O)c2ccccc2NS(C)(=O)=O)s1 CS(=O)(=O)N[*:1] CCc1nnc(NC(=O)c2ccccc2[*:1])s1
CCc1nnc(NC(=O)c2ccccc2NS(C)(=O)=O)s1 CCc1nnc(s1)[*:1] CS(=O)(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccccc1N1C(N)=[NH+]C[C@]1(C)c1ccccc1Cl Clc1ccccc1[*:1] Cc1ccccc1N1C(N)=[NH+]C[C@@]1(C)[*:1]
Cc1ccccc1N1C(N)=[NH+]C[C@]1(C)c1ccccc1Cl Cc1ccccc1[*:1] C[C@@]1(C[NH+]=C(N)N1[*:1])c1ccccc1Cl
CCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2O)CC1 CCC[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1ccccc1O
CCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2O)CC1 CCCNC(=O)[*:1] C[C@@H](N1CCN(CC1)C(=O)c1ccccc1O)[*:1]
CCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccccc2O)CC1 Oc1ccccc1[*:1] CCCNC(=O)[C@@H](C)N1CCN(CC1)C(=O)[*:1]
C[C@@H]1CCCC[C@H]1OCC[C@@H]1CCC[C@]1([NH3+])C(N)=O NC(=O)[*:1] C[C@@H]1CCCC[C@H]1OCC[C@@H]1CCC[C@@]1([NH3+])[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)s1 C1CCC(C1)O[*:1] Cc1cnc(s1)[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)s1 Cc1cnc(s1)[C@H](C)[*:1] O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)N[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)s1 C1CCC(C1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1O[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
CCC(CC)(CNC(=O)N[C@@H]1CCC[C@]1(C)CO)S(C)(=O)=O CS(=O)(=O)[*:1] CCC(CC)(CNC(=O)N[C@@H]1CCC[C@]1(C)CO)[*:1]
C[C@H]1CN(c2ccc(NC(=O)COCC(F)(F)F)cn2)C[C@H](C)O1 FC(F)(F)COC[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(cn1)NC(=O)[*:1]
C[C@H]1CN(c2ccc(NC(=O)COCC(F)(F)F)cn2)C[C@H](C)O1 FC(F)(F)CO[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(cn1)NC(=O)C[*:1]
C[C@H]1CN(c2ccc(NC(=O)COCC(F)(F)F)cn2)C[C@H](C)O1 FC(F)(F)C[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(cn1)NC(=O)CO[*:1]
C[C@H]1CN(c2ccc(NC(=O)COCC(F)(F)F)cn2)C[C@H](C)O1 FC(F)(F)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(cn1)NC(=O)COC[*:1]
CC(C)(C)OC(=O)N1CC[C@H]2O[C@H](CO)CC[C@H]21 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H]2O[C@H](CO)CC[C@H]21
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCOC(C)C CC(C)OCC[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)O[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCOC(C)C CC(C)OC[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)OC[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCOC(C)C CC(C)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCO[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCOC(C)C c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)OCCOC(C)C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCOC(C)C CC(C)O[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2ccccc2OCc2ccccn2)CC1 c1ccc(C[*:1])nc1 C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)Cc1ccccc1O[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2ccccc2OCc2ccccn2)CC1 c1ccc(CO[*:1])nc1 C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)Cc1ccccc1[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2ccccc2OCc2ccccn2)CC1 c1ccc(nc1)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)Cc1ccccc1OC[*:1]
CCOc1cc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)ccn1 CCO[*:1] NC(=O)[C@H]1CCN(C(=O)c2ccnc(c2)[*:1])c2ccccc21
CCOc1cc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)ccn1 NC(=O)[*:1] CCOc1cc(ccn1)C(=O)N1CC[C@H](c2ccccc21)[*:1]
C[C@@H]1CNC(=O)CCN1C(=O)CCNC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1CNC(=O)CCN1C(=O)CCNC(=O)[*:1]
Cc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2ccc(C)o2)C(C)C)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)NNC(=O)[*:1])C(C)C
Cc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2ccc(C)o2)C(C)C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)NNC(=O)[C@H](NC(=O)[*:1])C(C)C
Cc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2ccc(C)o2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C(=O)NNC(=O)c1ccc(C)o1)[*:1]
C[C@@H](OC(=O)c1scnc1C1CC1)c1cccc(F)c1 C1CC1[*:1] C[C@@H](OC(=O)c1scnc1[*:1])c1cccc(F)c1
CCOC(=O)c1cc2cc(C(=O)Nc3ncccc3O)ccc2[nH]1 CCOC(=O)[*:1] O=C(Nc1ncccc1O)c1ccc2[nH]c(cc2c1)[*:1]
CCOC(=O)c1cc2cc(C(=O)Nc3ncccc3O)ccc2[nH]1 Oc1cccnc1[*:1] CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)N[*:1]
Cn1cc(C(=O)NCc2ccccc2)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 c1ccc(cc1)[*:1] Cn1cc(C(=O)NC[*:1])c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21
Cn1cc(C(=O)NCc2ccccc2)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 c1ccc(cc1)[*:1] Cn1cc(C(=O)NCc2ccccc2)c2[nH]c(=O)n(C[*:1])c(=O)c21
Cn1cc(C(=O)NCc2ccccc2)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 c1ccc(cc1)C[*:1] Cn1cc(C(=O)N[*:1])c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21
Cn1cc(C(=O)NCc2ccccc2)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 c1ccc(cc1)C[*:1] Cn1cc(C(=O)NCc2ccccc2)c2[nH]c(=O)n(c(=O)c21)[*:1]
COC(=O)c1ccc(=O)n(Cc2ccc(C)cc2)c1 COC(=O)[*:1] Cc1ccc(cc1)Cn1cc(ccc1=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CC[C@@H]([NH+](C)C)C1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
CC(C)n1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O CC(C)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])Nc1ccc2CCCc2c1
CC(C)n1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O c1cc2CCCc2cc1[*:1] CC(C)n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2)C1 CCNS(=O)(=O)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@H](C1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)[C@@H](C)O[*:1]
O=C(Nc1nnc(-c2ccccc2)o1)c1ccc2[nH]cnc2c1 c1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc2[nH]cnc2c1
Cc1cccc([C@H]2c3cc(O[C@@H](C)C(=O)N4CCCC4)ccc3CCN2C(=O)c2ccccc2)c1 Cc1cccc(c1)[*:1] C[C@H](Oc1ccc2CCN(C(=O)c3ccccc3)[C@H](c2c1)[*:1])C(=O)N1CCCC1
Cc1cccc([C@H]2c3cc(O[C@@H](C)C(=O)N4CCCC4)ccc3CCN2C(=O)c2ccccc2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)[C@H]1c2cc(ccc2CCN1C(=O)c1ccccc1)O[C@@H](C)[*:1]
Cc1cccc([C@H]2c3cc(O[C@@H](C)C(=O)N4CCCC4)ccc3CCN2C(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)[C@H]1c2cc(ccc2CCN1C(=O)[*:1])O[C@@H](C)C(=O)N1CCCC1
CCC[C@@H]([NH3+])c1ccn(Cc2cccc([N+](=O)[O-])c2C)c1 CCC[*:1] Cc1c(cccc1[N+](=O)[O-])Cn1ccc(c1)[C@H]([NH3+])[*:1]
CCC[C@@H]([NH3+])c1ccn(Cc2cccc([N+](=O)[O-])c2C)c1 O=[N+]([O-])[*:1] CCC[C@@H]([NH3+])c1ccn(c1)Cc1cccc(c1C)[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1O CC(C)C[*:1] Cc1nn(c(C)c1CC(=O)Nc1cc(ccc1O)C(F)(F)F)[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1O FC(F)(F)[*:1] Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(ccc1O)[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1O CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CC(=O)Nc1cc(ccc1O)C(F)(F)F
N/C(=N/O)c1cc([N+](=O)[O-])ccc1Sc1ccncc1 c1cc(ccn1)[*:1] N/C(=N/O)c1cc(ccc1S[*:1])[N+](=O)[O-]
N/C(=N/O)c1cc([N+](=O)[O-])ccc1Sc1ccncc1 O=[N+]([O-])[*:1] N/C(=N/O)c1cc(ccc1Sc1ccncc1)[*:1]
N/C(=N/O)c1cc([N+](=O)[O-])ccc1Sc1ccncc1 N/C(=N/O)[*:1] O=[N+]([O-])c1ccc(Sc2ccncc2)c(c1)[*:1]
COC[C@](C)(NC(=O)c1cnc2ccc(C)cn12)C(=O)OC COC(=O)[*:1] COC[C@](C)(NC(=O)c1cnc2ccc(C)cn12)[*:1]
COC[C@](C)(NC(=O)c1cnc2ccc(C)cn12)C(=O)OC COC[*:1] COC(=O)[C@](C)(NC(=O)c1cnc2ccc(C)cn12)[*:1]
C=CCn1/c(=N/C(=O)Cc2ccc(S(C)(=O)=O)cc2)sc2ccc([N+](=O)[O-])cc21 C=CC[*:1] CS(=O)(=O)c1ccc(cc1)CC(=O)/N=c1\sc2ccc(cc2n1[*:1])[N+](=O)[O-]
C=CCn1/c(=N/C(=O)Cc2ccc(S(C)(=O)=O)cc2)sc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] C=CCn1/c(=N/C(=O)Cc2ccc(cc2)S(C)(=O)=O)sc2ccc(cc21)[*:1]
C=CCn1/c(=N/C(=O)Cc2ccc(S(C)(=O)=O)cc2)sc2ccc([N+](=O)[O-])cc21 CS(=O)(=O)[*:1] C=CCn1/c(=N/C(=O)Cc2ccc(cc2)[*:1])sc2ccc(cc21)[N+](=O)[O-]
COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)NC3CCCC3)C(=O)N1CC2 C1CCC(C1)[*:1] COc1cc2CCN3C(=O)N(CC(=O)N[*:1])c4ccccc4[C@@H]3c2cc1OC
COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)NC3CCCC3)C(=O)N1CC2 O=C(NC1CCCC1)[*:1] COc1cc2CCN3C(=O)N(C[*:1])c4ccccc4[C@@H]3c2cc1OC
COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)NC3CCCC3)C(=O)N1CC2 O=C(C[*:1])NC1CCCC1 COc1cc2CCN3C(=O)N(c4ccccc4[C@@H]3c2cc1OC)[*:1]
COC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2O)cc1F O=C([O-])[*:1] COC(=O)c1ccc(cc1F)-c1ccc(cc1O)[*:1]
COC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2O)cc1F COC(=O)[*:1] O=C([O-])c1ccc(-c2ccc(c(F)c2)[*:1])c(O)c1
CCCCOC(=O)/C(C#N)=C\c1cccc(F)c1 CCC[*:1] N#C/C(=C/c1cccc(F)c1)C(=O)OC[*:1]
CCCCOC(=O)/C(C#N)=C\c1cccc(F)c1 CCCC[*:1] N#C/C(=C/c1cccc(F)c1)C(=O)O[*:1]
C[NH2+][C@@H](C(C)C)[C@H](C)c1cc(F)ccc1F CC(C)[*:1] C[NH2+][C@@H]([C@H](C)c1cc(F)ccc1F)[*:1]
O=C(NCc1c(F)cccc1OC(F)F)N1CCC[C@@H](O)C1 FC(F)[*:1] O=C(NCc1c(F)cccc1O[*:1])N1CCC[C@@H](O)C1
O=C(NCc1c(F)cccc1OC(F)F)N1CCC[C@@H](O)C1 FC(F)O[*:1] O=C(NCc1c(F)cccc1[*:1])N1CCC[C@@H](O)C1
CCCn1c(C[C@@]2(O)CCO[C@@H](C)C2)[nH+]c2ccccc21 CCC[*:1] C[C@H]1C[C@](O)(CCO1)Cc1[nH+]c2ccccc2n1[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 Cc1cnn(c1)C[*:1] O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H]1[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 Cc1cnn(c1)[*:1] O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H]1C[*:1]
C/C(N)=C(/C#N)C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 FC(F)(F)[*:1] C/C(N)=C(/C#N)C(=O)CSc1nnc2c(Cl)cc(cn12)[*:1]
C/C(N)=C(/C#N)C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 C/C(N)=C(/C#N)C(=O)[*:1] FC(F)(F)c1cc(Cl)c2nnc(SC[*:1])n2c1
C/C(N)=C(/C#N)C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 CC(N)=C(C#N)[*:1] O=C(CSc1nnc2c(Cl)cc(cn12)C(F)(F)F)[*:1]
O=CNCCc1nc2ccccc2n1Cc1ccccc1 O=CNCC[*:1] c1ccc(cc1)Cn1c(nc2ccccc21)[*:1]
O=CNCCc1nc2ccccc2n1Cc1ccccc1 O=CN[*:1] c1ccc(cc1)Cn1c(CC[*:1])nc2ccccc21
O=CNCCc1nc2ccccc2n1Cc1ccccc1 c1ccc(cc1)[*:1] O=CNCCc1nc2ccccc2n1C[*:1]
O=CNCCc1nc2ccccc2n1Cc1ccccc1 O=CNC[*:1] c1ccc(cc1)Cn1c(C[*:1])nc2ccccc21
O=CNCCc1nc2ccccc2n1Cc1ccccc1 c1ccc(cc1)C[*:1] O=CNCCc1nc2ccccc2n1[*:1]
Cc1cc(C(=O)Nc2ccc(F)cc2OCC(F)F)c(Cl)cc1F FC(F)CO[*:1] Cc1cc(C(=O)Nc2ccc(F)cc2[*:1])c(Cl)cc1F
Cc1cc(C(=O)Nc2ccc(F)cc2OCC(F)F)c(Cl)cc1F FC(F)C[*:1] Cc1cc(C(=O)Nc2ccc(F)cc2O[*:1])c(Cl)cc1F
Cc1cc(C(=O)Nc2ccc(F)cc2OCC(F)F)c(Cl)cc1F FC(F)[*:1] Cc1cc(C(=O)Nc2ccc(F)cc2OC[*:1])c(Cl)cc1F
CC[NH2+][C@@H](C(CC)CC)[C@@H]1CCOc2ccccc21 CCC(CC)[*:1] CC[NH2+][C@@H]([C@@H]1CCOc2ccccc21)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3I)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1ccccc1I)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3I)CC2)c(C)c1 Ic1ccccc1[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NN=C[*:1])[C@H]1CC(=O)N(Cc2ccccc2)C1
Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(C2)C[*:1])cc1
Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(C2)[*:1])cc1
CCC[NH2+][C@H](C[C@@H]1CCCCCC[C@@H]1[NH3+])c1ccoc1 c1cc(co1)[*:1] CCC[NH2+][C@H](C[C@@H]1CCCCCC[C@@H]1[NH3+])[*:1]
CCC[NH2+][C@H](C[C@@H]1CCCCCC[C@@H]1[NH3+])c1ccoc1 CCC[*:1] [NH3+][C@H]1CCCCCC[C@H]1C[C@@H]([NH2+][*:1])c1ccoc1
Cc1nc(-c2cccc(NC(=O)N[C@@H](C)c3ccc(Cl)cc3)c2)oc1C Cc1nc(oc1C)[*:1] C[C@H](NC(=O)Nc1cccc(c1)[*:1])c1ccc(Cl)cc1
Cc1nc(-c2cccc(NC(=O)N[C@@H](C)c3ccc(Cl)cc3)c2)oc1C Clc1ccc(cc1)[*:1] Cc1nc(oc1C)-c1cccc(c1)NC(=O)N[C@@H](C)[*:1]
C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2nc3ccccc3o2)C1=O c1ccc(cc1)C[*:1] C[C@@]1(C[*:1])NC(=O)N(Cc2nc3ccccc3o2)C1=O
C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2nc3ccccc3o2)C1=O c1ccc(cc1)[*:1] C[C@@]1(CC[*:1])NC(=O)N(Cc2nc3ccccc3o2)C1=O
C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2nc3ccccc3o2)C1=O c1ccc(cc1)CC[*:1] C[C@]1(NC(=O)N(Cc2nc3ccccc3o2)C1=O)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C)C1 CCC[C@@H](C)[*:1] Cc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C)C1 CCC[*:1] Cc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@@H](C1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C)C1 CCC[C@@H](C)NC(=O)[*:1] Cc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C)C1 Cc1cc(Cl)ccc1[*:1] CCC[C@@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)C(=O)N[*:1]
CCC[C@@H]([NH3+])c1noc(C[C@@H]2CCCCO2)n1 CCC[*:1] [NH3+][C@@H](c1noc(C[C@@H]2CCCCO2)n1)[*:1]
Cc1ccccc1NC(=O)CSc1nnc2n(C[C@@H]3CCCO3)c(=O)c3sccc3n12 Cc1ccccc1[*:1] O=C(CSc1nnc2n(C[C@@H]3CCCO3)c(=O)c3sccc3n12)N[*:1]
Cc1ccccc1NC(=O)CSc1nnc2n(C[C@@H]3CCCO3)c(=O)c3sccc3n12 Cc1ccccc1NC(=O)[*:1] O=c1c2sccc2n2c(nnc2n1C[C@@H]1CCCO1)SC[*:1]
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)N[C@@H]1CCN(C(C)C)C1=O CC(C)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)N[C@@H]1CCN(C1=O)[*:1]
O=C(Nc1cccnc1)N[C@H]1CCN(c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] O=C(Nc1cccnc1)N[C@H]1CCN(C1=O)[*:1]
O=C(Nc1cccnc1)N[C@H]1CCN(c2c(F)cccc2F)C1=O c1cncc(c1)[*:1] O=C(N[C@H]1CCN(C1=O)c1c(F)cccc1F)N[*:1]
O=C(COc1ccccc1)N/N=C\c1ccco1 c1ccc(cc1)[*:1] O=C(CO[*:1])N/N=C\c1ccco1
O=C(COc1ccccc1)N/N=C\c1ccco1 c1coc(c1)[*:1] O=C(COc1ccccc1)NN=C[*:1]
C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCc1cccs1 c1csc(c1)C[*:1] C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[*:1]
C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCc1cccs1 c1csc(c1)[*:1] C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NC[*:1]
COC(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccc(O)cc1 COC(=O)[*:1] O=[N+]([O-])c1ccc(NCCc2ccc(O)cc2)c(c1)[*:1]
COC(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] COC(=O)c1cc(ccc1NCC[*:1])[N+](=O)[O-]
COC(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccc(O)cc1 O=[N+]([O-])[*:1] COC(=O)c1cc(ccc1NCCc1ccc(O)cc1)[*:1]
C[C@H](SCc1ccccc1)C(=O)N[C@H](C)Cn1cccn1 c1cnn(c1)C[*:1] C[C@H](SCc1ccccc1)C(=O)N[C@H](C)[*:1]
C[C@H](SCc1ccccc1)C(=O)N[C@H](C)Cn1cccn1 c1ccc(cc1)C[*:1] C[C@H](S[*:1])C(=O)N[C@H](C)Cn1cccn1
C[C@H](SCc1ccccc1)C(=O)N[C@H](C)Cn1cccn1 c1ccc(cc1)[*:1] C[C@H](SC[*:1])C(=O)N[C@H](C)Cn1cccn1
C[C@H](SCc1ccccc1)C(=O)N[C@H](C)Cn1cccn1 c1cnn(c1)[*:1] C[C@H](SCc1ccccc1)C(=O)N[C@H](C)C[*:1]
C[NH+](CCCCc1ccccc1)Cc1cnn2c1NCCC2 c1ccc(cc1)C[*:1] C[NH+](CCC[*:1])Cc1cnn2CCCNc12
C[NH+](CCCCc1ccccc1)Cc1cnn2c1NCCC2 c1ccc(cc1)[*:1] C[NH+](CCCC[*:1])Cc1cnn2CCCNc12
CC[C@@H](NC(=O)NCCCSC)c1cc(F)ccc1F CSC[*:1] CC[C@@H](NC(=O)NCC[*:1])c1cc(F)ccc1F
CC[C@@H](NC(=O)NCCCSC)c1cc(F)ccc1F CSCC[*:1] CC[C@@H](NC(=O)NC[*:1])c1cc(F)ccc1F
CC[C@@H](NC(=O)NCCCSC)c1cc(F)ccc1F CSCCC[*:1] CC[C@@H](NC(=O)N[*:1])c1cc(F)ccc1F
CN1Cc2ccccc2C[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 C(=C/c1ccccc1)\C[*:1] CN1Cc2ccccc2C[C@H]1C(=O)N1CCN(CC1)[*:1]
CN1Cc2ccccc2C[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 CN1Cc2ccccc2C[C@H]1C(=O)N1CCN(CC1)C[*:1]
CN1Cc2ccccc2C[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] CN1Cc2ccccc2C[C@H]1C(=O)N1CCN(CC=C[*:1])CC1
CC[C@@](O)(C(=O)[O-])[C@@H](C)c1ccc(OC)c(OC)c1 O=C([O-])[*:1] CC[C@@](O)([C@@H](C)c1ccc(OC)c(c1)OC)[*:1]
O=C([O-])[C@@H]1CCCCN1c1ncnc2sccc12 O=C([O-])[*:1] c1nc(c2ccsc2n1)N1CCCC[C@H]1[*:1]
CCOC(=O)[C@H]1CCCCN1C(=O)[C@H](C[NH3+])CC(C)C CCOC(=O)[*:1] CC(C)C[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1[*:1]
CCOC(=O)[C@H]1CCCCN1C(=O)[C@H](C[NH3+])CC(C)C CC(C)[*:1] CCOC(=O)[C@H]1CCCCN1C(=O)[C@H](C[NH3+])C[*:1]
CCOC(=O)[C@H]1CCCCN1C(=O)[C@H](C[NH3+])CC(C)C CC(C)C[*:1] CCOC(=O)[C@H]1CCCCN1C(=O)[C@H](C[NH3+])[*:1]
Fc1ccc(Cn2nnnc2[C@@H](c2ccc3ncccc3c2)N2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] Fc1ccc(cc1)Cn1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN(CC1)[*:1]
Fc1ccc(Cn2nnnc2[C@@H](c2ccc3ncccc3c2)N2CCN(c3ccccc3F)CC2)cc1 c1cnc2ccc(cc2c1)[*:1] Fc1ccc(cc1)Cn1nnnc1[C@@H](N1CCN(CC1)c1ccccc1F)[*:1]
Fc1ccc(Cn2nnnc2[C@@H](c2ccc3ncccc3c2)N2CCN(c3ccccc3F)CC2)cc1 Fc1ccc(cc1)[*:1] Fc1ccccc1N1CCN(CC1)[C@H](c1ccc2ncccc2c1)c1nnnn1C[*:1]
Fc1ccc(Cn2nnnc2[C@@H](c2ccc3ncccc3c2)N2CCN(c3ccccc3F)CC2)cc1 Fc1ccc(cc1)C[*:1] Fc1ccccc1N1CCN(CC1)[C@H](c1ccc2ncccc2c1)c1nnnn1[*:1]
Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 Cc1c(Cl)cccc1[*:1] O=C(N/N=C/c1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ncccn2)cc1 c1cnc(nc1)S[*:1] CC(=O)Nc1ccc(cc1)C(=O)[C@@H](C)[*:1]
CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ncccn2)cc1 c1cnc(nc1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)[C@@H](C)S[*:1]
CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ncccn2)cc1 CC(=O)N[*:1] C[C@@H](Sc1ncccn1)C(=O)c1ccc(cc1)[*:1]
O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C1Cc2cc(cc3CCCN1c32)NC(=O)[*:1]
Cc1cc(NC2CCC(C(=O)OC(C)(C)C)CC2)n2ncnc2n1 CC(C)(C)[*:1] Cc1cc(NC2CCC(CC2)C(=O)O[*:1])n2ncnc2n1
Cc1cc(NC2CCC(C(=O)OC(C)(C)C)CC2)n2ncnc2n1 CC(C)(C)OC(=O)[*:1] Cc1cc(NC2CCC(CC2)[*:1])n2ncnc2n1
CC(C)c1cccc(C(C)C)c1NC(=O)COc1ncnc2sc3c(c12)CCC3 CC(C)[*:1] CC(C)c1cccc(c1NC(=O)COc1ncnc2sc3CCCc3c12)[*:1]
CNS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccn2)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)N(C)[C@H](C)c1ccccn1)[*:1]
CNS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccn2)c(C)o1 c1ccc(nc1)[*:1] CNS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)[*:1])c(C)o1
O=C(Cc1ccccc1O)Nc1ccc2ncccc2c1 Oc1ccccc1[*:1] O=C(C[*:1])Nc1ccc2ncccc2c1
Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1Cc1cccs1 Fc1cccc(F)c1[*:1] Cc1cc(C(=O)COC(=O)[*:1])c(C)n1Cc1cccs1
Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1Cc1cccs1 c1csc(c1)[*:1] Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1C[*:1]
Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1Cc1cccs1 c1csc(c1)C[*:1] Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1[*:1]
Cc1ccc(C(=O)N[C@@H](C)C(C)C)n1C CC(C)[*:1] Cc1ccc(C(=O)N[C@@H](C)[*:1])n1C
Cc1ccc(C(=O)N[C@@H](C)C(C)C)n1C CC(C)[C@H](C)[*:1] Cc1ccc(C(=O)N[*:1])n1C
CC(C)Oc1cccc([C@@H](C)NC(=O)C[C@@H](O)c2ccccc2)c1 CC(C)O[*:1] C[C@@H](NC(=O)C[C@@H](O)c1ccccc1)c1cccc(c1)[*:1]
CC(C)Oc1cccc([C@@H](C)NC(=O)C[C@@H](O)c2ccccc2)c1 O[C@@H](c1ccccc1)[*:1] CC(C)Oc1cccc(c1)[C@@H](C)NC(=O)C[*:1]
CC(C)Oc1cccc([C@@H](C)NC(=O)C[C@@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)Oc1cccc(c1)[C@@H](C)NC(=O)C[C@@H](O)[*:1]
CC(C)Oc1cccc([C@@H](C)NC(=O)C[C@@H](O)c2ccccc2)c1 CC(C)[*:1] C[C@@H](NC(=O)C[C@@H](O)c1ccccc1)c1cccc(c1)O[*:1]
NC(=O)CN(C(=O)Cc1ccc(F)c(F)c1)[C@@H]1CC[NH2+]C1 NC(=O)[*:1] O=C(Cc1ccc(F)c(F)c1)N(C[*:1])[C@@H]1CC[NH2+]C1
NC(=O)CN(C(=O)Cc1ccc(F)c(F)c1)[C@@H]1CC[NH2+]C1 NC(=O)C[*:1] O=C(Cc1ccc(F)c(F)c1)N([C@@H]1CC[NH2+]C1)[*:1]
Cc1cc(C)n(-c2ccc(N3CCC(C(=O)N(C)C)CC3)nn2)n1 Cc1cc(C)n(n1)[*:1] CN(C)C(=O)C1CCN(CC1)c1ccc(nn1)[*:1]
Cc1cc(C)n(-c2ccc(N3CCC(C(=O)N(C)C)CC3)nn2)n1 CN(C)C(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC(CC1)[*:1]
CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc3nc[nH]c23)cn1C CN(C)C(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)[N-]c1cccc2nc[nH]c12
CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cn(C)nc1CC)CCC2 CCc1nn(C)cc1[*:1] CCc1nc2CCC[C@@H](c2s1)N(C)C(=O)N[*:1]
CCN(CCC#N)[C@@H](C)C(=O)Nc1ccnn1C(C)C N#CCC[*:1] CCN([C@@H](C)C(=O)Nc1ccnn1C(C)C)[*:1]
CCN(CCC#N)[C@@H](C)C(=O)Nc1ccnn1C(C)C CC(C)[*:1] CCN(CCC#N)[C@@H](C)C(=O)Nc1ccnn1[*:1]
CCN(CCC#N)[C@@H](C)C(=O)Nc1ccnn1C(C)C N#CC[*:1] CCN(C[*:1])[C@@H](C)C(=O)Nc1ccnn1C(C)C
COc1ccccc1[C@H](NC(=O)CNC(=O)c1ccoc1)c1ccccn1 O=C(N[*:1])c1ccoc1 COc1ccccc1[C@H](NC(=O)C[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)CNC(=O)c1ccoc1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)CNC(=O)c1ccoc1)[*:1]
COc1ccccc1[C@H](NC(=O)CNC(=O)c1ccoc1)c1ccccn1 COc1ccccc1[*:1] O=C(CNC(=O)c1ccoc1)N[C@H](c1ccccn1)[*:1]
COc1ccccc1[C@H](NC(=O)CNC(=O)c1ccoc1)c1ccccn1 c1cc(co1)[*:1] COc1ccccc1[C@H](NC(=O)CNC(=O)[*:1])c1ccccn1
COc1ccccc1[C@H](NC(=O)CNC(=O)c1ccoc1)c1ccccn1 O=C(NC[*:1])c1ccoc1 COc1ccccc1[C@H](NC(=O)[*:1])c1ccccn1
CCOC(CNC(=O)[C@@H]1COc2ccccc2O1)OCC CCO[*:1] CCOC(CNC(=O)[C@@H]1COc2ccccc2O1)[*:1]
CCOC(CNC(=O)[C@@H]1COc2ccccc2O1)OCC CCOC(OCC)[*:1] O=C(NC[*:1])[C@@H]1COc2ccccc2O1
COC(=O)c1cc(CNC(=O)[C@@H](C)n2c(=O)oc3ccccc32)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)[C@@H](C)n1c(=O)oc2ccccc21
CCn1ccc(=O)nc1SCC(=O)NC(C)(C)CC CCC(C)(C)[*:1] CCn1ccc(=O)nc1SCC(=O)N[*:1]
CC[C@H](C)CN(CC)c1ccc(C#N)c(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](C)CN(CC)c1ccc(C#N)c(c1)[*:1]
CC[C@H](C)CN(CC)c1ccc(C#N)c(C(F)(F)F)c1 CC[C@H](C)C[*:1] CCN(c1ccc(C#N)c(c1)C(F)(F)F)[*:1]
CC[C@H](C)CN(CC)c1ccc(C#N)c(C(F)(F)F)c1 CC[C@H](C)[*:1] CCN(C[*:1])c1ccc(C#N)c(c1)C(F)(F)F
O=C(N[C@@H]1C=C[C@@H](C(=O)[O-])C1)c1ccc2ncccc2c1 O=C([O-])[*:1] O=C(N[C@@H]1C=C[C@@H](C1)[*:1])c1ccc2ncccc2c1
N#Cc1ccsc1C(=O)OCCCC(N)=O NC(=O)[*:1] N#Cc1ccsc1C(=O)OCCC[*:1]
N#Cc1ccsc1C(=O)OCCCC(N)=O NC(=O)CC[*:1] N#Cc1ccsc1C(=O)OC[*:1]
N#Cc1ccsc1C(=O)OCCCC(N)=O NC(=O)C[*:1] N#Cc1ccsc1C(=O)OCC[*:1]
CCC(=O)N1CCCN(C(=O)NCCc2cc(C)cc(C)c2)CC1 Cc1cc(C)cc(c1)[*:1] CCC(=O)N1CCCN(CC1)C(=O)NCC[*:1]
CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 CCOc1ccccc1[*:1] O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc(c1)[N+](=O)[O-])N[*:1]
CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)[*:1]
CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc(c1)[*:1]
CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 CCO[*:1] O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccccc1[*:1]
CNc1[nH+]cccc1CN1CCO[C@@](C)(C(=O)N2CCOCC2)C1 O=C(N1CCOCC1)[*:1] CNc1[nH+]cccc1CN1CCO[C@@](C)(C1)[*:1]
O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CCc2cc(F)ccc2C1 C1CCCN(CC1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])N1CCc2cc(F)ccc2C1
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccnn1C CC(C)(C)[*:1] CC(C)[C@](C)(CNC(=O)O[*:1])NC(=O)c1ccnn1C
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccnn1C Cn1nccc1[*:1] CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[*:1]
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccnn1C CC(C)[*:1] Cn1nccc1C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)[*:1]
[NH3+][C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc23)C1 O=[N+]([O-])[*:1] [NH3+][C@H]1CCN(C1)c1ccc(c2nonc12)[*:1]
O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CCN1C(=O)SC(=C[*:1])C1=O)N1CCOCC1
O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C1S/C(=C\c2ccccc2)C(=O)N1CC[*:1]
O=S(=O)(c1cccc(CSc2nnc(-c3ccccc3F)n2C2CC2)c1)N1CCOCC1 C1CC1[*:1] O=S(=O)(c1cccc(c1)CSc1nnc(-c2ccccc2F)n1[*:1])N1CCOCC1
O=S(=O)(c1cccc(CSc2nnc(-c3ccccc3F)n2C2CC2)c1)N1CCOCC1 Fc1ccccc1[*:1] O=S(=O)(c1cccc(c1)CSc1nnc(n1C1CC1)[*:1])N1CCOCC1
O=S(=O)(c1cccc(CSc2nnc(-c3ccccc3F)n2C2CC2)c1)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Fc1ccccc1-c1nnc(SCc2cccc(c2)[*:1])n1C1CC1
COc1cccc(/C=C2\Oc3cc(OC(=O)[C@@H]4CCCO4)cc(C)c3C2=O)c1OC COc1cccc(c1OC)[*:1] Cc1cc(cc2OC(=C[*:1])C(=O)c12)OC(=O)[C@@H]1CCCO1
CCOc1ccc(OCc2nc(C#N)c(N3CCC(C)CC3)o2)cc1 CC1CCN(CC1)[*:1] CCOc1ccc(cc1)OCc1nc(C#N)c(o1)[*:1]
CCOc1ccc(OCc2nc(C#N)c(N3CCC(C)CC3)o2)cc1 CCO[*:1] CC1CCN(CC1)c1oc(COc2ccc(cc2)[*:1])nc1C#N
CC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O CC(C)C[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)[*:1]
CC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O CC(C)[*:1] C[C@@]1(C[*:1])NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O
CC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CC(C)C[C@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
Cn1cc(N2CCC[C@@H](NC(=O)N3CCc4ccc(Cl)cc4C3)C2)cn1 Cn1cc(cn1)[*:1] O=C(N[C@@H]1CCCN(C1)[*:1])N1CCc2ccc(Cl)cc2C1
CC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)CC(C)C CC(C)[*:1] CC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)C[*:1]
CC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)CC(C)C CC(C)C[*:1] CC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)[*:1]
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)N1CCN(CC1)[*:1]
Cc1nonc1[C@H]1CCCN1C(=O)Cn1cnc2ccccc2c1=O Cc1nonc1[*:1] O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H]1[*:1]
Cc1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(/C=C/C(=O)c2ccc(cc2)N2CCC(O)CC2)cc1[*:1]
Cc1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1[N+](=O)[O-] OC1CCN(CC1)[*:1] Cc1ccc(/C=C/C(=O)c2ccc(cc2)[*:1])cc1[N+](=O)[O-]
COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@H]1c2c(oc3cc(C)c(C)cc3c2=O)C(=O)N1C[*:1]
COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)[C@H]1c2c(oc3cc(C)c(C)cc3c2=O)C(=O)N1[*:1]
COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 COc1ccc(cc1)[*:1] Cc1cc2oc3C(=O)N(Cc4ccco4)[C@H](c3c(=O)c2cc1C)[*:1]
COc1ccccc1C1=C[C@@H](C(=O)N2CCN(c3c(C)n(C)c(=O)n(C)c3=O)CC2)N=N1 COc1ccccc1[*:1] Cc1c(c(=O)n(C)c(=O)n1C)N1CCN(CC1)C(=O)[C@@H]1C=C(N=N1)[*:1]
O=C(Cc1cccc(Br)c1)[C@@H]1CCOC2(CCCCC2)C1 Brc1cccc(c1)[*:1] O=C(C[*:1])[C@@H]1CCOC2(CCCCC2)C1
CCc1ccc(NC(=O)c2ccc(S(=O)(=O)NC)o2)cc1 CNS(=O)(=O)[*:1] CCc1ccc(cc1)NC(=O)c1ccc(o1)[*:1]
Cc1ccccc1-c1ncc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cn1 c1ccc(cc1)[*:1] Cc1ccccc1-c1ncc(cn1)CN[C@H](C)c1cnn(c1C)[*:1]
Cc1ccccc1-c1ncc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cn1 Cc1ccccc1[*:1] Cc1c(cnn1-c1ccccc1)[C@@H](C)NCc1cnc(nc1)[*:1]
COC(=O)c1ccccc1NC(=O)c1cc2ccc(Cl)cc2n1C COC(=O)[*:1] Cn1c(cc2ccc(Cl)cc21)C(=O)Nc1ccccc1[*:1]
COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 COC(=O)[*:1] COc1ccc(cc1)N1C[C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C1=O)[*:1]
CCCCn1nnnc1CSc1cc(N)ccc1C CCC[*:1] Cc1ccc(N)cc1SCc1nnnn1C[*:1]
CCCCn1nnnc1CSc1cc(N)ccc1C CCCC[*:1] Cc1ccc(N)cc1SCc1nnnn1[*:1]
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
NC(=O)c1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1Cl NC(=O)[*:1] O=C(Cn1c(nc2ccccc21)-c1cscn1)Nc1ccc(c(Cl)c1)[*:1]
NC(=O)c1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1Cl c1nc(cs1)[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)Cn1c(nc2ccccc21)[*:1]
CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)NCC(C)C)=C(C)CS[C@H]12 CC(C)CNC(=O)[*:1] CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(=C(C)CS[C@H]12)[*:1]
CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)NCC(C)C)=C(C)CS[C@H]12 CC(C)[*:1] CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)NC[*:1])=C(C)CS[C@H]12
CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)NCC(C)C)=C(C)CS[C@H]12 CCn1ncc(Br)c1[*:1] CC1CS[C@@H]2[C@H](NC(=O)[*:1])C(=O)N2C=1C(=O)NCC(C)C
CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)NCC(C)C)=C(C)CS[C@H]12 CC(C)C[*:1] CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)N[*:1])=C(C)CS[C@H]12
CCOc1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(C=O)c1 Cc1ccc(Cl)cc1[*:1] CCOc1ccc(OCC(=O)N[*:1])c(C=O)c1
CCOc1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(C=O)c1 CCO[*:1] Cc1ccc(Cl)cc1NC(=O)COc1ccc(cc1C=O)[*:1]
C#CCOc1ccc(/C=N/NC(=O)CCc2ccccc2O)cc1Br Oc1ccccc1C[*:1] C#CCOc1ccc(/C=N/NC(=O)C[*:1])cc1Br
C#CCOc1ccc(/C=N/NC(=O)CCc2ccccc2O)cc1Br C#CCO[*:1] O=C(CCc1ccccc1O)N/N=C/c1ccc(c(Br)c1)[*:1]
C#CCOc1ccc(/C=N/NC(=O)CCc2ccccc2O)cc1Br C#CC[*:1] O=C(CCc1ccccc1O)N/N=C/c1ccc(O[*:1])c(Br)c1
C#CCOc1ccc(/C=N/NC(=O)CCc2ccccc2O)cc1Br Oc1ccccc1[*:1] C#CCOc1ccc(/C=N/NC(=O)CC[*:1])cc1Br
Cc1n[nH]cc1CN1CC[C@@H](S(=O)(=O)NC2CC2)C1 C1CC1[*:1] Cc1n[nH]cc1CN1CC[C@H](C1)S(=O)(=O)N[*:1]
Cc1n[nH]cc1CN1CC[C@@H](S(=O)(=O)NC2CC2)C1 Cc1n[nH]cc1[*:1] O=S(=O)(NC1CC1)[C@@H]1CCN(C1)C[*:1]
Cc1noc(COc2ccc(NC(=O)C=C3CCCCC3)cc2)n1 Cc1noc(C[*:1])n1 O=C(C=C1CCCCC1)Nc1ccc(cc1)O[*:1]
Cc1noc(COc2ccc(NC(=O)C=C3CCCCC3)cc2)n1 C(=C1CCCCC1)[*:1] Cc1noc(COc2ccc(cc2)NC(=O)[*:1])n1
Cc1noc(COc2ccc(NC(=O)C=C3CCCCC3)cc2)n1 Cc1noc(n1)[*:1] O=C(C=C1CCCCC1)Nc1ccc(cc1)OC[*:1]
Cc1noc(COc2ccc(NC(=O)C=C3CCCCC3)cc2)n1 Cc1noc(CO[*:1])n1 O=C(C=C1CCCCC1)Nc1ccc(cc1)[*:1]
CS[C@H]1CCC[C@@H]1N(C)C(=O)CCS(C)(=O)=O CS(=O)(=O)[*:1] CS[C@H]1CCC[C@@H]1N(C)C(=O)CC[*:1]
CS[C@H]1CCC[C@@H]1N(C)C(=O)CCS(C)(=O)=O CS(=O)(=O)C[*:1] CS[C@H]1CCC[C@@H]1N(C)C(=O)C[*:1]
CC(C)C[NH+](CCC1([NH3+])CCCCC1)C1CCCC1 CC(C)C[*:1] [NH3+]C1(CCCCC1)CC[NH+](C1CCCC1)[*:1]
CC(C)C[NH+](CCC1([NH3+])CCCCC1)C1CCCC1 CC(C)[*:1] [NH3+]C1(CCCCC1)CC[NH+](C[*:1])C1CCCC1
CC(C)C[NH+](CCC1([NH3+])CCCCC1)C1CCCC1 C1CCC(C1)[*:1] CC(C)C[NH+](CCC1([NH3+])CCCCC1)[*:1]
COC(=O)CCCNC1CC[NH+](C)CC1 COC(=O)[*:1] C[NH+]1CCC(CC1)NCCC[*:1]
COC(=O)CCCNC1CC[NH+](C)CC1 COC(=O)C[*:1] C[NH+]1CCC(CC1)NCC[*:1]
CCNS(=O)(=O)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 O=[N+]([O-])[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)c1ncc(cc1C)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 CCNS(=O)(=O)[*:1] Cc1cc(cnc1N1CC[C@H](C1)[*:1])[N+](=O)[O-]
CNC(=O)CCC(=O)c1ccc(C)s1 CNC(=O)[*:1] Cc1ccc(s1)C(=O)CC[*:1]
CC(C)[C@@H](CCO)Nc1ccc(C(N)=O)nn1 OCC[*:1] CC(C)[C@@H](Nc1ccc(nn1)C(N)=O)[*:1]
CC(C)[C@@H](CCO)Nc1ccc(C(N)=O)nn1 NC(=O)[*:1] CC(C)[C@@H](CCO)Nc1ccc(nn1)[*:1]
CC(C)[C@@H](CCO)Nc1ccc(C(N)=O)nn1 CC(C)[*:1] NC(=O)c1ccc(nn1)N[C@H](CCO)[*:1]
CCCN(CC[NH+](C)C)C(=O)Cc1ccc(F)c(F)c1 CCC[*:1] C[NH+](C)CCN(C(=O)Cc1ccc(F)c(F)c1)[*:1]
O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)OC(F)(F)F)[C@@H]1CS[C@@]2(CCC(=O)N12)[*:1]
O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 FC(F)(F)[*:1] O=C(Nc1cccc(c1)O[*:1])[C@@H]1CS[C@@]2(CCC(=O)N12)c1ccccc1
O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 FC(F)(F)O[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CS[C@@]2(CCC(=O)N12)c1ccccc1
COc1ccc2c(C(=O)NCc3cccc(F)c3)cc(=O)oc2c1 Fc1cccc(c1)[*:1] COc1ccc2c(cc(=O)oc2c1)C(=O)NC[*:1]
COc1ccc2c(C(=O)NCc3cccc(F)c3)cc(=O)oc2c1 Fc1cccc(c1)C[*:1] COc1ccc2c(cc(=O)oc2c1)C(=O)N[*:1]
CC[C@H](C(=O)O[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F)c1ccccc1 CC[C@H](c1ccccc1)[*:1] O=C(O[C@@H](c1ccc2OCCOc2c1)C(F)(F)F)[*:1]
CC[C@H](C(=O)O[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)O[C@@H](c1ccc2OCCOc2c1)C(F)(F)F)[*:1]
CC[C@H](C(=O)O[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] CC[C@H](C(=O)O[C@@H](c1ccc2OCCOc2c1)[*:1])c1ccccc1
Cc1nn([C@@H](C)c2nn3c(Cc4ccccc4Cl)nnc3s2)cc1Br Clc1ccccc1C[*:1] Cc1nn(cc1Br)[C@@H](C)c1nn2c(nnc2s1)[*:1]
Cc1nn([C@@H](C)c2nn3c(Cc4ccccc4Cl)nnc3s2)cc1Br Clc1ccccc1[*:1] Cc1nn(cc1Br)[C@@H](C)c1nn2c(C[*:1])nnc2s1
Cc1nn([C@@H](C)c2nn3c(Cc4ccccc4Cl)nnc3s2)cc1Br Cc1nn(cc1Br)[*:1] C[C@@H](c1nn2c(Cc3ccccc3Cl)nnc2s1)[*:1]
CCc1nn(C)cc1C[NH2+][C@@H](C)c1c(C)nn(C(C)C)c1C CC(C)[*:1] CCc1nn(C)cc1C[NH2+][C@@H](C)c1c(C)nn(c1C)[*:1]
O=C1N[C@@H](CO)C(=O)N2CCN(C(=O)NCc3ccccc3)C[C@H]12 c1ccc(cc1)[*:1] O=C1N[C@@H](CO)C(=O)N2CCN(C[C@H]12)C(=O)NC[*:1]
O=C1N[C@@H](CO)C(=O)N2CCN(C(=O)NCc3ccccc3)C[C@H]12 c1ccc(cc1)C[*:1] O=C1N[C@@H](CO)C(=O)N2CCN(C[C@H]12)C(=O)N[*:1]
CCCN(C(=O)CC(C)(C)C)C1CCC([NH3+])CC1 CCC[*:1] CC(C)(C)CC(=O)N(C1CCC([NH3+])CC1)[*:1]
CCCN(C(=O)CC(C)(C)C)C1CCC([NH3+])CC1 CC(C)(C)[*:1] CCCN(C(=O)C[*:1])C1CCC([NH3+])CC1
CCCN(C(=O)CC(C)(C)C)C1CCC([NH3+])CC1 CC(C)(C)C[*:1] CCCN(C(=O)[*:1])C1CCC([NH3+])CC1
Cc1cc2nc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 Fc1ccc(cc1)[*:1] Cc1cc2nc(SCC(=O)N3CCN(CC3)c3ccc(F)cc3)n(c(=O)c2[nH]1)[*:1]
Cc1cc2nc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 Fc1ccc(cc1)[*:1] Cc1cc2nc(SCC(=O)N3CCN(CC3)[*:1])n(-c3ccc(F)cc3)c(=O)c2[nH]1
O=C(c1c[nH]nc1-c1cccs1)N1CC[C@H](c2ccccc2F)C1 c1csc(c1)[*:1] O=C(c1c[nH]nc1[*:1])N1CC[C@@H](C1)c1ccccc1F
O=C(c1c[nH]nc1-c1cccs1)N1CC[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(c1c[nH]nc1-c1cccs1)N1CC[C@H](C1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2)C1 CCNS(=O)(=O)[*:1] O=C(Nc1cccc(Cl)c1)N1CC[C@H](C1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)N[*:1]
CC1(C)CCCC[C@@H]1NC1=[NH+]C[C@H](c2ccccc2)S1 c1ccc(cc1)[*:1] CC1(C)CCCC[C@@H]1NC1=[NH+]C[C@H](S1)[*:1]
CS(=O)(=O)c1ccc(F)c(NC(=O)c2cc(Br)ccc2F)c1 CS(=O)(=O)[*:1] O=C(Nc1cc(ccc1F)[*:1])c1cc(Br)ccc1F
C[C@@]1(Nc2ccccc2)OC(=O)c2ccccc21 c1ccc(cc1)[*:1] C[C@@]1(N[*:1])OC(=O)c2ccccc21
Fc1ccc(OCCSCc2nnc(C3CCC3)o2)c(Cl)c1 C1CC(C1)[*:1] Fc1ccc(OCCSCc2nnc(o2)[*:1])c(Cl)c1
CC(C)[C@H](C[NH+](C)C)Nc1nc2c(N)cccc2o1 CC(C)[*:1] C[NH+](C)C[C@H](Nc1nc2c(N)cccc2o1)[*:1]
Cc1ccc2c(c1)[C@H](NC(=O)N1CCN(C(=O)c3ccncc3)CC1)CO2 c1cc(ccn1)[*:1] Cc1ccc2OC[C@@H](NC(=O)N3CCN(CC3)C(=O)[*:1])c2c1
CC(=O)Nc1ccc(N2C(=O)S/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)N1C(=O)S/C(=C\c2ccc(cc2)[*:1])C1=O
CC(=O)Nc1ccc(N2C(=O)S/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 CC(C)c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)N1C(=O)SC(=C[*:1])C1=O
CC(=O)Nc1ccc(N2C(=O)S/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 CC(=O)N[*:1] CC(C)c1ccc(/C=C2\SC(=O)N(C2=O)c2ccc(cc2)[*:1])cc1
CC/C=C(/C)C(=O)NC[C@H](C)Oc1ccc(OC)cc1 CCC=C(C)[*:1] COc1ccc(cc1)O[C@@H](C)CNC(=O)[*:1]
CC(=O)Nc1cccc(NC(=O)COc2ccc(I)cc2)c1 CC(=O)N[*:1] O=C(COc1ccc(I)cc1)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)COc2ccc(I)cc2)c1 Ic1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CO[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC(C)CC3)cc2C[C@@H]1C CC1CCN(CC1)C(=O)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)N[C@@H](Cc1ccccc1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC(C)CC3)cc2C[C@@H]1C c1ccc(cc1)C[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)N[C@@H](C(=O)N1CCC(C)CC1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC(C)CC3)cc2C[C@@H]1C c1ccc(cc1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)N[C@@H](C[*:1])C(=O)N1CCC(C)CC1
CC[NH+](CCC(F)(F)F)Cc1ccc(-c2cccnc2)o1 c1cncc(c1)[*:1] CC[NH+](CCC(F)(F)F)Cc1ccc(o1)[*:1]
CC[NH+](CCC(F)(F)F)Cc1ccc(-c2cccnc2)o1 FC(F)(F)C[*:1] CC[NH+](Cc1ccc(o1)-c1cccnc1)C[*:1]
CC[NH+](CCC(F)(F)F)Cc1ccc(-c2cccnc2)o1 FC(F)(F)CC[*:1] CC[NH+](Cc1ccc(o1)-c1cccnc1)[*:1]
CC[NH+](CCC(F)(F)F)Cc1ccc(-c2cccnc2)o1 FC(F)(F)[*:1] CC[NH+](CC[*:1])Cc1ccc(o1)-c1cccnc1
CN(C(=O)[C@@H]1CSCN1C(=O)c1nccn2ccnc12)C1CC1 C1CC1[*:1] CN(C(=O)[C@@H]1CSCN1C(=O)c1nccn2ccnc12)[*:1]
CN(C(=O)[C@@H]1CSCN1C(=O)c1nccn2ccnc12)C1CC1 CN(C(=O)[*:1])C1CC1 O=C(c1nccn2ccnc12)N1CSC[C@H]1[*:1]
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 c1cc2OCCOc2cc1[*:1] Cc1ccc(cc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1])S(=O)(=O)N1CCCCC1
CCn1c(CNC(=O)[C@H]2CCCO2)nnc1SC C1CO[C@H](C1)[*:1] CCn1c(CNC(=O)[*:1])nnc1SC
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc21 CC(C)C[*:1] CC1(C)COc2ccc(cc2N(C1=O)[*:1])NC(=O)CCS(=O)(=O)c1ccccc1
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc21 CC(C)[*:1] CC1(C)COc2ccc(cc2N(C[*:1])C1=O)NC(=O)CCS(=O)(=O)c1ccccc1
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc21 c1ccc(cc1)[*:1] CC(C)CN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)CCS(=O)(=O)[*:1]
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc21 O=S(=O)(C[*:1])c1ccccc1 CC(C)CN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)C[*:1]
CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc21 O=S(=O)(c1ccccc1)[*:1] CC(C)CN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)CC[*:1]
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1cccc2ccccc12)c1ccccc1 c1cncc(c1)C[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1cccc2ccccc12)[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1cccc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccc3ccccc23)N1Cc1cccnc1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1cccc2ccccc12)c1ccccc1 c1cncc(c1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccc2ccccc12)c1ccccc1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1cccc2ccccc12)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@@H](c2cccc3ccccc23)N1Cc1cccnc1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1cccc2ccccc12)c1ccccc1 c1ccc2c(cccc2c1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1[*:1])c1ccccc1
Cc1cccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1 Cc1cccc(c1)C(=O)N[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc2OCCCOc2c1
Cc1cccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)NS(=O)(=O)c1ccc2OCCCOc2c1)[*:1]
O=S(=O)(Nc1nccs1)c1ccc(NC(=S)Nc2ccccc2)cc1 c1csc(n1)[*:1] O=S(=O)(N[*:1])c1ccc(cc1)NC(=S)Nc1ccccc1
O=S(=O)(Nc1nccs1)c1ccc(NC(=S)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] O=S(=O)(Nc1nccs1)c1ccc(cc1)NC(=S)N[*:1]
CN(Cc1ccccc1Cl)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O Clc1ccccc1[*:1] CN(C[*:1])S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
Cc1ncccc1NC(=O)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] Cc1ncccc1NC(=O)C(=O)N1CCN(CC1)[*:1]
Cc1ncccc1NC(=O)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 Cc1ncccc1[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)c1ccc(Cl)cn1
O=[N+]([O-])c1cnccc1N[C@H]1CCCc2ccc(F)cc21 O=[N+]([O-])[*:1] Fc1ccc2CCC[C@H](Nc3ccncc3[*:1])c2c1
Cc1ccc(NC(=O)NCc2nn(C)c(=O)c3ccccc23)cc1 Cc1ccc(cc1)[*:1] Cn1nc(CNC(=O)N[*:1])c2ccccc2c1=O
CS(=O)(=O)c1cccc(C(=O)OCc2ccccc2Br)c1 Brc1ccccc1[*:1] CS(=O)(=O)c1cccc(c1)C(=O)OC[*:1]
CS(=O)(=O)c1cccc(C(=O)OCc2ccccc2Br)c1 CS(=O)(=O)[*:1] O=C(OCc1ccccc1Br)c1cccc(c1)[*:1]
CCC[C@@]1(c2csc(C)c2)CCCCC[NH2+]1 CCC[*:1] Cc1cc(cs1)[C@]1(CCCCC[NH2+]1)[*:1]
O=c1onc(-c2cccnc2)n1Cc1coc(-c2cccs2)n1 c1csc(c1)[*:1] O=c1onc(-c2cccnc2)n1Cc1coc(n1)[*:1]
O=c1onc(-c2cccnc2)n1Cc1coc(-c2cccs2)n1 c1cncc(c1)[*:1] O=c1onc(n1Cc1coc(n1)-c1cccs1)[*:1]
CCOC(=O)c1c(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)n(C)c1C O=C([O-])[*:1] CCOC(=O)c1c(c(C)n(C)c1C)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
CCOC(=O)c1c(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)n(C)c1C CCOC(=O)[*:1] Cc1c(c(c(C)n1C)[*:1])S(=O)(=O)N1CCC[C@H](C1)C(=O)[O-]
Cc1ccc(C(=O)N2CCOCC2)cc1NCC(=O)N1C[C@@H](C)C[C@@H](C)C1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1NCC(=O)N1C[C@@H](C)C[C@@H](C)C1)[*:1]
NC(=O)CCCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 NC(=O)[*:1] O=C(OCCC[*:1])c1cc(Cl)cc(c1)[N+](=O)[O-]
NC(=O)CCCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 NC(=O)CCC[*:1] O=C(O[*:1])c1cc(Cl)cc(c1)[N+](=O)[O-]
NC(=O)CCCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 NC(=O)CC[*:1] O=C(OC[*:1])c1cc(Cl)cc(c1)[N+](=O)[O-]
NC(=O)CCCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)CCCOC(=O)c1cc(Cl)cc(c1)[*:1]
NC(=O)CCCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 NC(=O)C[*:1] O=C(OCC[*:1])c1cc(Cl)cc(c1)[N+](=O)[O-]
CCCCn1ncc(C(=O)N[C@@H](CO)c2ccco2)c1C c1coc(c1)[*:1] CCCCn1ncc(C(=O)N[C@@H](CO)[*:1])c1C
CCCCn1ncc(C(=O)N[C@@H](CO)c2ccco2)c1C CCCC[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H](CO)c1ccco1
CCCCn1ncc(C(=O)N[C@@H](CO)c2ccco2)c1C CCC[*:1] Cc1c(cnn1C[*:1])C(=O)N[C@@H](CO)c1ccco1
COC(=O)c1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 COC(=O)[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 Fc1cccc(c1)[*:1] COC(=O)c1ccc(cc1)NC(=O)Cc1csc(n1)[*:1]
COc1ccc(C[C@H]2CCCN2C(=O)N[C@@H](C)c2nncn2C)cc1 Cn1cnnc1[*:1] COc1ccc(cc1)C[C@H]1CCCN1C(=O)N[C@@H](C)[*:1]
COc1ccc(C[C@H]2CCCN2C(=O)N[C@@H](C)c2nncn2C)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCC[C@@H]1C[*:1])c1nncn1C
C[C@H](O)CNC(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] C[C@H](O)CNC(=O)c1nc(n2ccccc12)[*:1]
C[C@H](O)CNC(=O)c1nc(C2CC2)n2ccccc12 C[C@H](O)[*:1] O=C(NC[*:1])c1nc(C2CC2)n2ccccc12
C[C@H](O)CNC(=O)c1nc(C2CC2)n2ccccc12 C[C@H](O)C[*:1] O=C(N[*:1])c1nc(C2CC2)n2ccccc12
O=C(CN1CCN(C(=O)c2ccncc2)CC1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(CN1CCN(CC1)C(=O)c1ccncc1)N[*:1]
O=C(CN1CCN(C(=O)c2ccncc2)CC1)Nc1ccccc1Cl c1cc(ccn1)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1ccccc1Cl
c1ccc(COc2ccccc2C[NH+]2CCC(n3cccn3)CC2)cc1 c1ccc(cc1)CO[*:1] c1ccc(c(c1)C[NH+]1CCC(CC1)n1cccn1)[*:1]
c1ccc(COc2ccccc2C[NH+]2CCC(n3cccn3)CC2)cc1 c1ccc(cc1)C[*:1] c1ccc(O[*:1])c(c1)C[NH+]1CCC(CC1)n1cccn1
c1ccc(COc2ccccc2C[NH+]2CCC(n3cccn3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(OC[*:1])c(c1)C[NH+]1CCC(CC1)n1cccn1
c1ccc(COc2ccccc2C[NH+]2CCC(n3cccn3)CC2)cc1 c1cnn(c1)[*:1] c1ccc(cc1)COc1ccccc1C[NH+]1CCC(CC1)[*:1]
C[C@H](C#N)CNC(=O)[C@@H](C)Sc1ccccn1 C[C@H](C#N)[*:1] C[C@@H](Sc1ccccn1)C(=O)NC[*:1]
C[C@H](C#N)CNC(=O)[C@@H](C)Sc1ccccn1 C[C@H](C#N)C[*:1] C[C@@H](Sc1ccccn1)C(=O)N[*:1]
COc1cccc([C@H]2[C@@H](C(=O)Nc3ccc4[nH]ccc4c3)CC(=O)N2C)c1OC c1cc2cc(ccc2[nH]1)[*:1] COc1cccc(c1OC)[C@H]1[C@H](CC(=O)N1C)C(=O)N[*:1]
CCCN(CC(=O)[O-])C(=O)C[C@@H]1CSCC[NH2+]1 O=C([O-])[*:1] CCCN(C[*:1])C(=O)C[C@@H]1CSCC[NH2+]1
CCCN(CC(=O)[O-])C(=O)C[C@@H]1CSCC[NH2+]1 CCC[*:1] O=C([O-])CN(C(=O)C[C@@H]1CSCC[NH2+]1)[*:1]
CCCN(CC(=O)[O-])C(=O)C[C@@H]1CSCC[NH2+]1 O=C([O-])C[*:1] CCCN(C(=O)C[C@@H]1CSCC[NH2+]1)[*:1]
CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 CCO[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)c1cc(Br)ccc1[*:1]
CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(-c2nc(CN3CCN(Cc4cccc(F)c4)C(=O)C3)c(C)o2)cc1 Fc1cccc(c1)C[*:1] COC(=O)c1ccc(cc1)-c1nc(CN2CCN(C(=O)C2)[*:1])c(C)o1
COC(=O)c1ccc(-c2nc(CN3CCN(Cc4cccc(F)c4)C(=O)C3)c(C)o2)cc1 Fc1cccc(c1)[*:1] COC(=O)c1ccc(cc1)-c1nc(CN2CCN(C[*:1])C(=O)C2)c(C)o1
COC(=O)c1ccc(-c2nc(CN3CCN(Cc4cccc(F)c4)C(=O)C3)c(C)o2)cc1 COC(=O)[*:1] Cc1oc(nc1CN1CCN(Cc2cccc(F)c2)C(=O)C1)-c1ccc(cc1)[*:1]
COC(=O)c1ccc(-c2nc(CN3CCN(Cc4cccc(F)c4)C(=O)C3)c(C)o2)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1oc(nc1CN1CCN(Cc2cccc(F)c2)C(=O)C1)[*:1]
Cc1nc(-c2cccc(C(=O)NCC(C)(C)O)c2)cs1 CC(C)(O)C[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)N[*:1]
Cc1nc(-c2cccc(C(=O)NCC(C)(C)O)c2)cs1 Cc1nc(cs1)[*:1] CC(C)(O)CNC(=O)c1cccc(c1)[*:1]
Cc1nc(-c2cccc(C(=O)NCC(C)(C)O)c2)cs1 CC(C)(O)[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)NC[*:1]
C[C@H](CC1CCCCC1)c1nc(-c2ccc(C#N)cn2)no1 C1CCC(CC1)C[*:1] C[C@H](c1nc(no1)-c1ccc(C#N)cn1)[*:1]
C[C@H](CC1CCCCC1)c1nc(-c2ccc(C#N)cn2)no1 C1CCC(CC1)[*:1] C[C@H](C[*:1])c1nc(no1)-c1ccc(C#N)cn1
CCN(Cc1noc(C2CC2)n1)C(=O)c1ccccc1F Fc1ccccc1[*:1] CCN(Cc1noc(n1)C1CC1)C(=O)[*:1]
CCN(Cc1noc(C2CC2)n1)C(=O)c1ccccc1F C1CC1[*:1] CCN(Cc1noc(n1)[*:1])C(=O)c1ccccc1F
COC[C@H]1CN(C(=O)N[C@@H](c2ccccc2)c2ccco2)CCO1 COC[*:1] O=C(N[C@@H](c1ccccc1)c1ccco1)N1CCO[C@H](C1)[*:1]
COC[C@H]1CN(C(=O)N[C@@H](c2ccccc2)c2ccco2)CCO1 c1coc(c1)[*:1] COC[C@H]1CN(CCO1)C(=O)N[C@@H](c1ccccc1)[*:1]
COC[C@H]1CN(C(=O)N[C@@H](c2ccccc2)c2ccco2)CCO1 c1ccc(cc1)[*:1] COC[C@H]1CN(CCO1)C(=O)N[C@@H](c1ccco1)[*:1]
[O-]c1ccc[nH+]c1C[NH+]1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] [O-]c1ccc[nH+]c1C[NH+]1CC=C(CC1)[*:1]
Cc1nc(N(C)C)sc1CN(C)[C@@H](C)Cc1ccsc1 CN(C)[*:1] Cc1nc(sc1CN(C)[C@@H](C)Cc1ccsc1)[*:1]
Cc1nc(N(C)C)sc1CN(C)[C@@H](C)Cc1ccsc1 c1cc(cs1)C[*:1] Cc1nc(sc1CN(C)[C@@H](C)[*:1])N(C)C
Cc1nc(N(C)C)sc1CN(C)[C@@H](C)Cc1ccsc1 c1cc(cs1)[*:1] Cc1nc(sc1CN(C)[C@@H](C)C[*:1])N(C)C
CN(Cc1cnc(-c2ccsc2)s1)C1CCS(=O)CC1 c1cc(cs1)[*:1] CN(Cc1cnc(s1)[*:1])C1CCS(=O)CC1
O=C(NCCCc1ccccc1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 c1ccc(cc1)CC[*:1] O=C(NC[*:1])C1CCN(CC1)c1ccc(nn1)-c1ccc(F)cc1
O=C(NCCCc1ccccc1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])C1CCN(CC1)c1ccc(nn1)-c1ccc(F)cc1
O=C(NCCCc1ccccc1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 Fc1ccc(cc1)[*:1] O=C(NCCCc1ccccc1)C1CCN(CC1)c1ccc(nn1)[*:1]
O=C(NCCCc1ccccc1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 c1ccc(cc1)CCC[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(nn1)-c1ccc(F)cc1
O=C(NCCCc1ccccc1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])C1CCN(CC1)c1ccc(nn1)-c1ccc(F)cc1
Cc1nc(N2CCC[C@H](O)C2)c2c([nH+]1)CN(Cc1ccccc1)CC2 O[C@H]1CCCN(C1)[*:1] Cc1nc(c2CCN(Cc3ccccc3)Cc2[nH+]1)[*:1]
Cc1nc(N2CCC[C@H](O)C2)c2c([nH+]1)CN(Cc1ccccc1)CC2 c1ccc(cc1)C[*:1] Cc1nc(c2CCN(Cc2[nH+]1)[*:1])N1CCC[C@H](O)C1
Cc1nc(N2CCC[C@H](O)C2)c2c([nH+]1)CN(Cc1ccccc1)CC2 c1ccc(cc1)[*:1] Cc1nc(c2CCN(Cc2[nH+]1)C[*:1])N1CCC[C@H](O)C1
Cc1nc(CNC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c(C)s1 c1ccc(cc1)[*:1] Cc1nc(CNC(=O)N[C@@H](CS(C)(=O)=O)[*:1])c(C)s1
Cc1nc(CNC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c(C)s1 Cc1nc(c(C)s1)[*:1] CS(=O)(=O)C[C@H](NC(=O)NC[*:1])c1ccccc1
Cc1nc(CNC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c(C)s1 Cc1nc(C[*:1])c(C)s1 CS(=O)(=O)C[C@H](NC(=O)N[*:1])c1ccccc1
Cc1nc(CNC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c(C)s1 CS(=O)(=O)C[*:1] Cc1nc(CNC(=O)N[C@@H](c2ccccc2)[*:1])c(C)s1
Cc1nc(CNC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c(C)s1 CS(=O)(=O)[*:1] Cc1nc(CNC(=O)N[C@@H](C[*:1])c2ccccc2)c(C)s1
C[C@H](N[C@@H](C)c1nc(-c2ccncc2)cs1)c1cc(F)c(F)c(F)c1 c1cc(ccn1)[*:1] C[C@H](N[C@@H](C)c1nc(cs1)[*:1])c1cc(F)c(F)c(F)c1
C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC1CCS(=O)(=O)CC1 Fc1ccc(cc1)[*:1] C[C@H](CC(=O)N[*:1])[NH2+]CC1CCS(=O)(=O)CC1
COc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccccc2F)cc1 COc1ccc(cc1)[*:1] Fc1ccccc1[C@H]1c2cccn2CCN1C(=S)N[*:1]
COc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)NC(=S)N1CCn2cccc2[C@H]1[*:1]
C[C@H]1C[C@H]1CN(C)C(=O)c1ccc(C[NH3+])o1 C[C@H]1C[C@@H]1[*:1] CN(C[*:1])C(=O)c1ccc(C[NH3+])o1
C[C@H]1C[C@H]1CN(C)C(=O)c1ccc(C[NH3+])o1 C[C@H]1C[C@H]1C[*:1] CN(C(=O)c1ccc(C[NH3+])o1)[*:1]
CCc1cnc(CCNC(=O)N2CCc3cc(F)ccc3[C@H]2C)s1 CCc1cnc(C[*:1])s1 C[C@@H]1c2ccc(F)cc2CCN1C(=O)NC[*:1]
CCc1cnc(CCNC(=O)N2CCc3cc(F)ccc3[C@H]2C)s1 CCc1cnc(s1)[*:1] C[C@@H]1c2ccc(F)cc2CCN1C(=O)NCC[*:1]
O=C([O-])c1c(OCc2ccccn2)cnc2ccccc12 c1ccc(nc1)[*:1] O=C([O-])c1c(cnc2ccccc12)OC[*:1]
O=C([O-])c1c(OCc2ccccn2)cnc2ccccc12 O=C([O-])[*:1] c1ccc(COc2cnc3ccccc3c2[*:1])nc1
O=C([O-])c1c(OCc2ccccn2)cnc2ccccc12 c1ccc(C[*:1])nc1 O=C([O-])c1c(cnc2ccccc12)O[*:1]
CN1CCN(C(=O)COCC(F)(F)F)[C@H](c2ccccc2)C1 FC(F)(F)C[*:1] CN1CCN(C(=O)CO[*:1])[C@@H](C1)c1ccccc1
CN1CCN(C(=O)COCC(F)(F)F)[C@H](c2ccccc2)C1 FC(F)(F)[*:1] CN1CCN(C(=O)COC[*:1])[C@@H](C1)c1ccccc1
CN1CCN(C(=O)COCC(F)(F)F)[C@H](c2ccccc2)C1 FC(F)(F)COC[*:1] CN1CCN(C(=O)[*:1])[C@@H](C1)c1ccccc1
CN1CCN(C(=O)COCC(F)(F)F)[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)COCC(F)(F)F)[C@H](C1)[*:1]
CN1CCN(C(=O)COCC(F)(F)F)[C@H](c2ccccc2)C1 FC(F)(F)CO[*:1] CN1CCN(C(=O)C[*:1])[C@@H](C1)c1ccccc1
Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)CC(=O)N(C)C)[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1F CN(C)C(=O)C[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1F CN(C)C(=O)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)Nc1ccc(cc1)C[*:1]
CCC[C@H](O)c1ccn(CCc2ccncc2)c1 CCC[C@H](O)[*:1] c1cc(ccn1)CCn1ccc(c1)[*:1]
CCC[C@H](O)c1ccn(CCc2ccncc2)c1 CCC[*:1] O[C@H](c1ccn(c1)CCc1ccncc1)[*:1]
CCC[C@H](O)c1ccn(CCc2ccncc2)c1 c1cc(ccn1)[*:1] CCC[C@H](O)c1ccn(c1)CC[*:1]
O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1ccccc1Br c1coc(c1)[*:1] O=C(NC[C@H](N1CCc2ccccc2C1)[*:1])c1ccccc1Br
O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1ccccc1Br Brc1ccccc1[*:1] O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)[*:1]
CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C[C@](C)(O)CSC CSC[*:1] CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C[C@](C)(O)[*:1]
C[C@H](CCc1ccc(F)c(F)c1)NC(=O)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CCc1ccc(F)c(F)c1)NC(=O)[C@H](O)[*:1]
CCOC(=O)N[C@H]1CCCN(Cc2[nH+]cc(C)c(OC)c2C)C1 CCOC(=O)N[*:1] COc1c(C)c[nH+]c(CN2CCC[C@@H](C2)[*:1])c1C
Cc1csc([C@H](OC(=O)c2ccccc2)C(F)(F)F)n1 FC(F)(F)[*:1] Cc1csc(n1)[C@H](OC(=O)c1ccccc1)[*:1]
Cc1csc([C@H](OC(=O)c2ccccc2)C(F)(F)F)n1 Cc1csc(n1)[*:1] O=C(O[C@H](C(F)(F)F)[*:1])c1ccccc1
Cc1csc([C@H](OC(=O)c2ccccc2)C(F)(F)F)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@H](OC(=O)[*:1])C(F)(F)F
O=c1[nH]oc(NS(=O)(=O)c2ccccc2)c1C1CCCCC1 C1CCC(CC1)[*:1] O=c1[nH]oc(NS(=O)(=O)c2ccccc2)c1[*:1]
O=c1[nH]oc(NS(=O)(=O)c2ccccc2)c1C1CCCCC1 c1ccc(cc1)[*:1] O=c1[nH]oc(NS(=O)(=O)[*:1])c1C1CCCCC1
C[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] C[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)[*:1]
C[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)CCCNC(=O)[*:1])C1CC1
C[C@H](NC(=O)CCCNC(=O)c1ccc(Cl)cc1)C1CC1 C[C@H](C1CC1)[*:1] O=C(CCCNC(=O)c1ccc(Cl)cc1)N[*:1]
O=C(NCC1(c2ccccc2F)CC1)N1CC[C@](O)(C(F)(F)F)C1 Fc1ccccc1[*:1] O=C(NCC1(CC1)[*:1])N1CC[C@@](O)(C1)C(F)(F)F
O=C(NCC1(c2ccccc2F)CC1)N1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCC1(CC1)c1ccccc1F)N1CC[C@](O)(C1)[*:1]
Cc1ccc(C[NH+]2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c(C)c1 Cc1ccc(cc1C)[*:1] Cc1ccc(C[NH+]2CCC3(CC2)N=C(C(=O)N3)[*:1])c(C)c1
Cc1ccc(C[NH+]2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c(C)c1 Cc1ccc(C[*:1])c(C)c1 Cc1ccc(cc1C)C1=NC2(CC[NH+](CC2)[*:1])NC1=O
Cc1ccc(C[NH+]2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(cc1C)C1=NC2(CC[NH+](CC2)C[*:1])NC1=O
C[NH+](CCN1CCc2ccccc21)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](CCN1CCc2ccccc21)C[*:1]
CC(C)Oc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F CC(C)[*:1] O=C(Nc1ccccc1O[*:1])c1ccc(cc1F)[N+](=O)[O-]
CC(C)Oc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F CC(C)O[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1F)[N+](=O)[O-]
CC(C)Oc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] CC(C)Oc1ccccc1NC(=O)c1ccc(cc1F)[*:1]
CC(=O)Nc1ccc(SCC(=O)C2=c3ccccc3=[NH+][C@@H]2C)cc1 CC(=O)N[*:1] C[C@H]1[NH+]=c2ccccc2=C1C(=O)CSc1ccc(cc1)[*:1]
OC1=Nc2c(ncn2-c2cccc(Cl)c2)[C@H](c2ccsc2)C1 c1cc(cs1)[*:1] OC1C[C@@H](c2ncn(-c3cccc(Cl)c3)c2N=1)[*:1]
OC1=Nc2c(ncn2-c2cccc(Cl)c2)[C@H](c2ccsc2)C1 Clc1cccc(c1)[*:1] OC1C[C@@H](c2ccsc2)c2ncn(c2N=1)[*:1]
CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1[*:1])S(=O)(=O)N1CCCCC1
O=S(=O)(c1ccccc1Br)N1CCN(Cc2csc3ccccc23)CC1 Brc1ccccc1[*:1] O=S(=O)(N1CCN(CC1)Cc1csc2ccccc12)[*:1]
CCCCc1ccc(NC(=O)[C@H](NC(C)=O)C(C)C)cc1 CCCC[*:1] CC(=O)N[C@@H](C(=O)Nc1ccc(cc1)[*:1])C(C)C
CCCCc1ccc(NC(=O)[C@H](NC(C)=O)C(C)C)cc1 CC(C)[*:1] CCCCc1ccc(cc1)NC(=O)[C@H](NC(C)=O)[*:1]
CCCCc1ccc(NC(=O)[C@H](NC(C)=O)C(C)C)cc1 CC(=O)N[*:1] CCCCc1ccc(cc1)NC(=O)[C@H](C(C)C)[*:1]
CCCCc1ccc(NC(=O)[C@H](NC(C)=O)C(C)C)cc1 CCC[*:1] CC(=O)N[C@@H](C(=O)Nc1ccc(cc1)C[*:1])C(C)C
O=C(CCl)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl O=C(CCl)N[*:1] O=S(=O)(c1ccc(Cl)c(c1)[*:1])N1CCCCC1
CCOCCN(C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] CCOCCN(C)S(=O)(=O)c1ccc(Cl)cc1[*:1]
CCOCCN(C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F CCO[*:1] CN(CC[*:1])S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
CCOCCN(C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F CCOCC[*:1] CN(S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[*:1]
CCOCCN(C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F CCOC[*:1] CN(C[*:1])S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1F Oc1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccccc1F
CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[C@H]1[*:1]
O=C(NCc1cccnc1)NC[C@H]1CCC[C@H](O)C1 c1cncc(c1)[*:1] O=C(NC[C@H]1CCC[C@H](O)C1)NC[*:1]
COCCOc1cccc(/C=C2/N=C(c3cc(C)oc3C)OC2=O)c1 COCCO[*:1] Cc1cc(C2=N/C(=C/c3cccc(c3)[*:1])C(=O)O2)c(C)o1
COCCOc1cccc(/C=C2/N=C(c3cc(C)oc3C)OC2=O)c1 COC[*:1] Cc1cc(C2=N/C(=C/c3cccc(c3)OC[*:1])C(=O)O2)c(C)o1
COCCOc1cccc(/C=C2/N=C(c3cc(C)oc3C)OC2=O)c1 Cc1cc(c(C)o1)[*:1] COCCOc1cccc(/C=C2/N=C(OC2=O)[*:1])c1
COCCOc1cccc(/C=C2/N=C(c3cc(C)oc3C)OC2=O)c1 COCC[*:1] Cc1cc(C2=N/C(=C/c3cccc(c3)O[*:1])C(=O)O2)c(C)o1
COc1ccc(OC)c(CCC(=O)N2CCC[C@H]2CN2CCOCC2)c1 C1CN(CCO1)C[*:1] COc1ccc(OC)c(c1)CCC(=O)N1CCC[C@@H]1[*:1]
COc1ccc(OC)c(CCC(=O)N2CCC[C@H]2CN2CCOCC2)c1 C1CN(CCO1)[*:1] COc1ccc(OC)c(c1)CCC(=O)N1CCC[C@H]1C[*:1]
CC(C)Cn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O CC(C)C[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1Cc1ccccc1)[*:1]
CC(C)Cn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O c1ccc(cc1)[*:1] CC(C)Cn1ccc2nc3ccn(C[*:1])c(=O)c3cc2c1=O
CC(C)Cn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O CC(C)[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1Cc1ccccc1)C[*:1]
CC(C)Cn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O c1ccc(cc1)C[*:1] CC(C)Cn1ccc2nc3ccn(c(=O)c3cc2c1=O)[*:1]
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(C(=O)N/N=C(\C)CC(=O)N[*:1])c(c1)OC
C/[NH+]=C(/NCCCc1nnc2n1CCCCC2)NC1CCC(C)(C)CC1 CC1(C)CCC(CC1)[*:1] C/[NH+]=C(/NCCCc1nnc2CCCCCn21)N[*:1]
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@H](SCC(=O)Nc4ccc(OC)cc4)N3N2)cc1 COc1ccc(cc1)[*:1] CCc1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@H](SCC(=O)N[*:1])N2N1
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@H](SCC(=O)Nc4ccc(OC)cc4)N3N2)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)CS[C@H]1N=NC(=O)[C@H]2C=C(NN12)[*:1]
O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cccn2)cc1 O=C1CCCN1[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(cc1)-n1cccn1
O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=C(NCc1ccc(cc1)N1CCCC1=O)c1ccc(cc1)[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] Cc1ccc(c(C)c1NC(=O)Cc1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1ccc(-n2cnnn2)cc1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)Cc1ccc(cc1)-n1cnnn1)[*:1]
CC(C)COc1ccccc1CNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O CC(C)CO[*:1] C[C@@H](C(=O)NCc1ccccc1[*:1])N1C(=O)c2ccccc2C1=O
CC(C)COc1ccccc1CNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O CC(C)[*:1] C[C@@H](C(=O)NCc1ccccc1OC[*:1])N1C(=O)c2ccccc2C1=O
CC(C)COc1ccccc1CNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O CC(C)C[*:1] C[C@@H](C(=O)NCc1ccccc1O[*:1])N1C(=O)c2ccccc2C1=O
CNC(=O)c1ccc(/C=C/c2nc3ccccc3o2)cc1 CNC(=O)[*:1] C(=C/c1nc2ccccc2o1)\c1ccc(cc1)[*:1]
CN[C@@H]1C(=O)Nc2cc(SC3COC3)ccc21 C1OCC1S[*:1] CN[C@@H]1C(=O)Nc2cc(ccc21)[*:1]
CN[C@@H]1C(=O)Nc2cc(SC3COC3)ccc21 C1OCC1[*:1] CN[C@@H]1C(=O)Nc2cc(ccc21)S[*:1]
NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1cccc(OCc2cccnc2)c1 NC(=O)[*:1] O=C(Cc1cccc(c1)OCc1cccnc1)N[C@@H]1CCCC[C@@H]1[*:1]
NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1cccc(c1)OC[*:1]
NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1cccc(OCc2cccnc2)c1 c1cncc(c1)CO[*:1] NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1cccc(c1)[*:1]
NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1cccc(c1)O[*:1]
COC[C@H]1CCCN(C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)C1 COC[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)[*:1])C(=O)N1CCCC[C@H]1C
Cc1ccc(CCC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)o1 CC(C)[*:1] Cc1ccc(CCC(=O)N[C@@H](c2nc(no2)C2CC2)[*:1])o1
Cc1ccc(CCC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)o1 C1CC1[*:1] Cc1ccc(CCC(=O)N[C@@H](c2nc(no2)[*:1])C(C)C)o1
Cc1ccc(CCC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)o1 Cc1ccc(o1)[*:1] CC(C)[C@@H](NC(=O)CC[*:1])c1nc(no1)C1CC1
Cc1ccc(CCC(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)o1 Cc1ccc(C[*:1])o1 CC(C)[C@@H](NC(=O)C[*:1])c1nc(no1)C1CC1
CC[C@@H](O)CCNC(=O)c1cncc(C(=O)OC)c1 CC[C@@H](O)C[*:1] COC(=O)c1cncc(c1)C(=O)NC[*:1]
CC[C@@H](O)CCNC(=O)c1cncc(C(=O)OC)c1 CC[C@@H](O)[*:1] COC(=O)c1cncc(c1)C(=O)NCC[*:1]
CC[C@@H](O)CCNC(=O)c1cncc(C(=O)OC)c1 COC(=O)[*:1] CC[C@@H](O)CCNC(=O)c1cncc(c1)[*:1]
CC[C@@H](O)CCNC(=O)c1cncc(C(=O)OC)c1 CC[C@@H](O)CC[*:1] COC(=O)c1cncc(c1)C(=O)N[*:1]
C=Cn1ncc(C[NH+]2CCC(c3cc4c(C)cccc4cn3)CC2)c1C C=Cn1ncc(c1C)[*:1] Cc1cccc2cnc(cc12)C1CC[NH+](CC1)C[*:1]
COc1ccc(Cn2c([C@H](C)NC(=O)c3ccncc3)nc3ccccc32)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccncc1)c1nc2ccccc2n1C[*:1]
COc1ccc(Cn2c([C@H](C)NC(=O)c3ccncc3)nc3ccccc32)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)Cn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
COc1ccc(Cn2c([C@H](C)NC(=O)c3ccncc3)nc3ccccc32)cc1 COc1ccc(cc1)C[*:1] C[C@H](NC(=O)c1ccncc1)c1nc2ccccc2n1[*:1]
COc1ccc(Cn2c([C@H](C)NC(=O)c3ccncc3)nc3ccccc32)cc1 O=C(N[*:1])c1ccncc1 COc1ccc(cc1)Cn1c(nc2ccccc21)[C@H](C)[*:1]
CCc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)cc1 CCc1ccc(cc1)[*:1] Cc1noc2NC3C[C@H](CC(=O)C=3[C@@H](c12)[*:1])c1ccccc1O
CCc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)cc1 Oc1ccccc1[*:1] CCc1ccc(cc1)[C@H]1C2C(=O)C[C@H](CC=2Nc2onc(C)c21)[*:1]
Cc1cc2nc([C@@H](C)O)n(CCOc3ccccc3C)c2cc1C Cc1ccccc1[*:1] Cc1cc2nc([C@@H](C)O)n(CCO[*:1])c2cc1C
Cc1cc2nc([C@@H](C)O)n(CCOc3ccccc3C)c2cc1C Cc1ccccc1O[*:1] Cc1cc2nc([C@@H](C)O)n(CC[*:1])c2cc1C
Cc1cc2nc([C@@H](C)O)n(CCOc3ccccc3C)c2cc1C C[C@@H](O)[*:1] Cc1cc2nc(n(CCOc3ccccc3C)c2cc1C)[*:1]
Cn1ccc(Nc2nc(C(F)(F)F)ccc2C#N)n1 FC(F)(F)[*:1] Cn1ccc(n1)Nc1nc(ccc1C#N)[*:1]
Cn1ccc(Nc2nc(C(F)(F)F)ccc2C#N)n1 Cn1ccc(n1)[*:1] N#Cc1ccc(nc1N[*:1])C(F)(F)F
Cc1ccccc1CCn1c(CCl)nc2c(C)nn(C)c21 Cc1ccccc1[*:1] Cc1nn(C)c2c1nc(CCl)n2CC[*:1]
O=C(c1ccc(C[S@](=O)CCc2ccccc2)cc1)N1CCCC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)C[S@](=O)CC[*:1])N1CCCC1
O=C(c1ccc(C[S@](=O)CCc2ccccc2)cc1)N1CCCC1 c1ccc(cc1)CC[*:1] O=C(c1ccc(cc1)C[S@](=O)[*:1])N1CCCC1
O=C(c1ccc(C[S@](=O)CCc2ccccc2)cc1)N1CCCC1 c1ccc(cc1)C[*:1] O=C(c1ccc(cc1)C[S@](=O)C[*:1])N1CCCC1
O=C(c1ccc(C[S@](=O)CCc2ccccc2)cc1)N1CCCC1 O=C(N1CCCC1)[*:1] O=[S@](CCc1ccccc1)Cc1ccc(cc1)[*:1]
C[C@@H]1O[C@@H](c2ccccc2F)N=C1CS[C@H]1[NH+]=c2cccnc2=[NH+]1 Fc1ccccc1[*:1] C[C@@H]1O[C@@H](N=C1CS[C@H]1[NH+]=c2cccnc2=[NH+]1)[*:1]
C[C@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](c3ccc(F)cc3)N12 Ic1ccc(cc1)[*:1] C[C@H]1N=C([C@H]2[C@@H](c3ccc(F)cc3)N12)[*:1]
C[C@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](c3ccc(F)cc3)N12 Fc1ccc(cc1)[*:1] C[C@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](N12)[*:1]
O=C(CC[C@H]1CCCO1)Nc1cccnc1 C1CO[C@H](C1)[*:1] O=C(CC[*:1])Nc1cccnc1
CN(CCc1ccccn1)C(=O)C[C@@H](O)c1ccc(Cl)cc1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)C[C@@H](O)c1ccc(Cl)cc1
CN(CCc1ccccn1)C(=O)C[C@@H](O)c1ccc(Cl)cc1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)C[C@@H](O)c1ccc(Cl)cc1
CN(CCc1ccccn1)C(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(CCc1ccccn1)C(=O)C[C@@H](O)[*:1]
C[S@](=O)c1ccc(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 C[S@](=O)[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)NCc1ccc(cc1)[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] CO[C@H]1CCCC[C@H]1NC(=O)N[C@@H](c1ncon1)[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] CO[C@H]1CCCC[C@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 CO[C@H]1CCCC[C@@H]1[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N[*:1]
COc1cccc(C(=O)NC2CCN(C(=S)Nc3cc(C)ccc3C)CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(C)c(c1)NC(=S)N1CCC(CC1)NC(=O)[*:1]
COc1cccc(C(=O)NC2CCN(C(=S)Nc3cc(C)ccc3C)CC2)c1 Cc1ccc(C)c(c1)[*:1] COc1cccc(c1)C(=O)NC1CCN(CC1)C(=S)N[*:1]
CC1(C)CCC(CN2CCO[C@H](c3nccs3)C2)CC1 c1csc(n1)[*:1] CC1(C)CCC(CC1)CN1CCO[C@H](C1)[*:1]
CCCCCCn1cnc2ccc(Cl)cc2c1=O CCCCCC[*:1] O=c1c2cc(Cl)ccc2ncn1[*:1]
CCCCCCn1cnc2ccc(Cl)cc2c1=O CCC[*:1] O=c1c2cc(Cl)ccc2ncn1CCC[*:1]
CCCCCCn1cnc2ccc(Cl)cc2c1=O CCCC[*:1] O=c1c2cc(Cl)ccc2ncn1CC[*:1]
CCCCCCn1cnc2ccc(Cl)cc2c1=O CCCCC[*:1] O=c1c2cc(Cl)ccc2ncn1C[*:1]
CCOc1ccc(NC(=O)c2c(NC(=O)CN3CCOCC3)sc3c2CC[C@H](C)C3)cc1 C1CN(CCO1)[*:1] CCOc1ccc(cc1)NC(=O)c1c(NC(=O)C[*:1])sc2C[C@@H](C)CCc21
CCOc1ccc(NC(=O)c2c(NC(=O)CN3CCOCC3)sc3c2CC[C@H](C)C3)cc1 O=C(CN1CCOCC1)N[*:1] CCOc1ccc(cc1)NC(=O)c1c(sc2C[C@@H](C)CCc21)[*:1]
CCOc1ccc(NC(=O)c2c(NC(=O)CN3CCOCC3)sc3c2CC[C@H](C)C3)cc1 CCO[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)CN1CCOCC1)c2C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)c2c(NC(=O)CN3CCOCC3)sc3c2CC[C@H](C)C3)cc1 C1CN(CCO1)C[*:1] CCOc1ccc(cc1)NC(=O)c1c(NC(=O)[*:1])sc2C[C@@H](C)CCc21
CCOc1ccc(NC(=O)c2c(NC(=O)CN3CCOCC3)sc3c2CC[C@H](C)C3)cc1 CCOc1ccc(cc1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)CN1CCOCC1)c2C(=O)N[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)NCC(=O)N1CCCCC1 c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)NCC(=O)N1CCCCC1)[*:1]
COc1ccc(Oc2cc(CNC(=O)c3cc[n+]([O-])cc3)ccn2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)O[*:1])c1cc[n+]([O-])cc1
COc1ccc(Oc2cc(CNC(=O)c3cc[n+]([O-])cc3)ccn2)cc1 [O-][n+]1ccc(cc1)[*:1] COc1ccc(cc1)Oc1cc(ccn1)CNC(=O)[*:1]
CCOC(=O)[C@H](F)[C@@](C)(O)c1nccs1 c1csc(n1)[*:1] CCOC(=O)[C@H](F)[C@@](C)(O)[*:1]
CCOC(=O)[C@H](F)[C@@](C)(O)c1nccs1 CCOC(=O)[*:1] C[C@](O)(c1nccs1)[C@@H](F)[*:1]
O=C1O[C@@H]([C@@H]2OC(=O)C([O-])=C2C(=O)c2ccccc2Cl)C(=C([O-])c2ccccc2Cl)C1=O Clc1ccccc1[*:1] O=C1O[C@H](C(C1=O)=C([O-])c1ccccc1Cl)[C@@H]1OC(=O)C([O-])=C1C(=O)[*:1]
O=C1O[C@@H]([C@@H]2OC(=O)C([O-])=C2C(=O)c2ccccc2Cl)C(=C([O-])c2ccccc2Cl)C1=O O=C(c1ccccc1Cl)[*:1] O=C1O[C@H](C(C1=O)=C([O-])c1ccccc1Cl)[C@@H]1OC(=O)C([O-])=C1[*:1]
O=C1O[C@@H]([C@@H]2OC(=O)C([O-])=C2C(=O)c2ccccc2Cl)C(=C([O-])c2ccccc2Cl)C1=O Clc1ccccc1[*:1] O=C1O[C@H](C(C1=O)=C([O-])[*:1])[C@@H]1OC(=O)C([O-])=C1C(=O)c1ccccc1Cl
O=C(Cc1ccc(F)c(F)c1)NC[C@H]1C[C@]12CCc1ccccc12 Fc1ccc(cc1F)[*:1] O=C(C[*:1])NC[C@H]1C[C@]12CCc1ccccc12
CCN(C(=O)c1ccc(C)cc1F)[C@@H]1COC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CCN(C(=O)c1ccc(C)cc1F)[C@@H]1COC[C@H]1[*:1]
CCS(=O)(=O)C[C@@H](C)N(C)Cc1c(Cl)nc2ccccn12 CCS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)Cc1c(Cl)nc2ccccn12
CCS(=O)(=O)C[C@@H](C)N(C)Cc1c(Cl)nc2ccccn12 CCS(=O)(=O)C[*:1] C[C@@H](N(C)Cc1c(Cl)nc2ccccn12)[*:1]
Cc1cccc2c(=O)n(CC(=O)[C@H](C#N)c3ccc(F)cn3)cnc12 Fc1ccc(nc1)[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)[C@H](C#N)[*:1]
CCOC(=O)Nc1cccc(Oc2nc3ccccc3o2)c1 CCOC(=O)N[*:1] c1cc(cc(c1)[*:1])Oc1nc2ccccc2o1
CCc1nc(CCNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)cs1 CCc1nc(cs1)C[*:1] O=C(NC[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
CCc1nc(CCNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)cs1 CCc1nc(cs1)[*:1] O=C(NCC[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
CCc1nc(CCNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)cs1 C1CCC(C1)O[*:1] CCc1nc(cs1)CCNC(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCc1nc(CCNC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)cs1 C1CCC(C1)[*:1] CCc1nc(cs1)CCNC(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
CNC(=O)Cc1ccc(NC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1 CNC(=O)C[*:1] CC(C)(C)[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1cccs1
CNC(=O)Cc1ccc(NC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1 CC(C)(C)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)N[C@@H](c1cccs1)[*:1]
CNC(=O)Cc1ccc(NC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1 c1csc(c1)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)N[C@@H](C(C)(C)C)[*:1]
CNC(=O)Cc1ccc(NC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1 CNC(=O)[*:1] CC(C)(C)[C@@H](NC(=O)Nc1ccc(cc1)C[*:1])c1cccs1
O=C(CCCn1c(=O)oc2ccccc21)OCc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C(CCCn1c(=O)oc2ccccc21)OC[*:1]
CCN(C(=O)Nc1c(F)cc(C)cc1I)C1CC1 C1CC1[*:1] CCN(C(=O)Nc1c(F)cc(C)cc1I)[*:1]
CCn1c(C)cc([O-])c([C@H](c2ccc(Cl)cc2)N2CCN(c3cccc[nH+]3)CC2)c1=O Clc1ccc(cc1)[*:1] CCn1c(C)cc([O-])c(c1=O)[C@H](N1CCN(CC1)c1cccc[nH+]1)[*:1]
FC(F)(F)c1ccc2c(N3CCN(c4ncnc5nc[nH]c45)CC3)nccc2n1 FC(F)(F)[*:1] c1cc2nc(ccc2c(n1)N1CCN(CC1)c1ncnc2nc[nH]c12)[*:1]
FC(F)(F)c1ccc2c(N3CCN(c4ncnc5nc[nH]c45)CC3)nccc2n1 c1nc(c2[nH]cnc2n1)[*:1] FC(F)(F)c1ccc2c(nccc2n1)N1CCN(CC1)[*:1]
CC(=O)Nc1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 O=S(=O)(C(F)F)[*:1] CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 FC(F)[*:1] CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)S(=O)(=O)[*:1]
CC(=O)Nc1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 CC(=O)N[*:1] O=S(=O)(c1ccc(cc1)Nc1ccc(cc1)[*:1])C(F)F
Cc1ccc([C@H]2CSCCN2C(=O)/C=C/c2cccnc2)o1 Cc1ccc(o1)[*:1] O=C(/C=C/c1cccnc1)N1CCSC[C@@H]1[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)/C=C/c2cccnc2)o1 c1cncc(c1)[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)C=C[*:1]
Cc1ccccc1[C@@H](n1cc[n+]([C@H](c2ccccc2C)C(C)(C)C)c1)C(C)(C)C Cc1ccccc1[*:1] Cc1ccccc1[C@@H](n1cc[n+](c1)[C@H](C(C)(C)C)[*:1])C(C)(C)C
Cc1ccccc1[C@@H](n1cc[n+]([C@H](c2ccccc2C)C(C)(C)C)c1)C(C)(C)C Cc1ccccc1[*:1] Cc1ccccc1[C@@H]([n+]1ccn(c1)[C@@H](C(C)(C)C)[*:1])C(C)(C)C
Cc1ccccc1[C@@H](n1cc[n+]([C@H](c2ccccc2C)C(C)(C)C)c1)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@@H]([n+]1ccn(c1)[C@H](c1ccccc1C)[*:1])C(C)(C)C
Cc1ccccc1[C@@H](n1cc[n+]([C@H](c2ccccc2C)C(C)(C)C)c1)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@@H](n1cc[n+](c1)[C@H](c1ccccc1C)[*:1])C(C)(C)C
Cc1ncc([C@H](C)NCCc2nncn2C2CC2)s1 Cc1ncc(s1)[*:1] C[C@H](NCCc1nncn1C1CC1)[*:1]
Cc1ncc([C@H](C)NCCc2nncn2C2CC2)s1 C1CC1[*:1] Cc1ncc(s1)[C@H](C)NCCc1nncn1[*:1]
COc1cc(C(=O)Nc2c(C)cc(C)cc2C)sc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1cc(sc1[*:1])C(=O)Nc1c(C)cc(C)cc1C
Cc1ccccc1OCCNC(=O)Cc1coc2c(C)c(C)ccc12 Cc1ccccc1[*:1] Cc1ccc2c(coc2c1C)CC(=O)NCCO[*:1]
Cc1ccccc1OCCNC(=O)Cc1coc2c(C)c(C)ccc12 Cc1ccccc1O[*:1] Cc1ccc2c(coc2c1C)CC(=O)NCC[*:1]
CC[C@@H]1CN(C(=O)[C@H](C[NH3+])CC(C)C)CCO1 CC(C)C[*:1] CC[C@@H]1CN(CCO1)C(=O)[C@H](C[NH3+])[*:1]
CC[C@@H]1CN(C(=O)[C@H](C[NH3+])CC(C)C)CCO1 CC(C)[*:1] CC[C@@H]1CN(CCO1)C(=O)[C@H](C[NH3+])C[*:1]
CC[C@@H](C#N)N(CCC(C)C)C1CCCC1 CC(C)[*:1] CC[C@@H](C#N)N(CC[*:1])C1CCCC1
CC[C@@H](C#N)N(CCC(C)C)C1CCCC1 CC(C)CC[*:1] CC[C@@H](C#N)N(C1CCCC1)[*:1]
CC[C@@H](C#N)N(CCC(C)C)C1CCCC1 CC(C)C[*:1] CC[C@@H](C#N)N(C[*:1])C1CCCC1
CC[C@@H](C#N)N(CCC(C)C)C1CCCC1 C1CCC(C1)[*:1] CC[C@@H](C#N)N(CCC(C)C)[*:1]
COc1cccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c1OC O=C1CCCN1[*:1] COc1cccc(C(=O)NCc2ccc(cc2)C[*:1])c1OC
COc1cccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c1OC O=C1CCCN1C[*:1] COc1cccc(C(=O)NCc2ccc(cc2)[*:1])c1OC
N#Cc1ccccc1COc1ccc(C(=O)N2CCC(O)CC2)cc1 N#Cc1ccccc1[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCC(O)CC1
Cc1ccc(-c2nc(N3CCOCC3)ncc2-c2cc(C)no2)cn1 Cc1ccc(cn1)[*:1] Cc1cc(on1)-c1cnc(nc1[*:1])N1CCOCC1
Cc1ccc(-c2nc(N3CCOCC3)ncc2-c2cc(C)no2)cn1 C1CN(CCO1)[*:1] Cc1ccc(cn1)-c1nc(ncc1-c1cc(C)no1)[*:1]
Cc1ccc(-c2nc(N3CCOCC3)ncc2-c2cc(C)no2)cn1 Cc1cc(on1)[*:1] Cc1ccc(cn1)-c1nc(ncc1[*:1])N1CCOCC1
CC[NH2+]C[C@@H](c1ccc(Cl)cc1Cl)[C@@H](C)CC CC[C@H](C)[*:1] CC[NH2+]C[C@@H](c1ccc(Cl)cc1Cl)[*:1]
O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 C1CN(CCO1)[*:1] O=C(NCCC[*:1])c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)F)c1ccc(Cl)cc1
O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 C1CN(CCO1)C[*:1] O=C(NCC[*:1])c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)F)c1ccc(Cl)cc1
O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 Clc1ccc(cc1)[*:1] O=C(NCCCN1CCOCC1)c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)[*:1]
O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 C1CN(CCO1)CC[*:1] O=C(NC[*:1])c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)F)c1ccc(Cl)cc1
O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 FC(F)(F)[*:1] O=C(NCCCN1CCOCC1)c1cc2N[C@@H](C[C@@H](n2n1)[*:1])c1ccc(Cl)cc1
O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 C(CN1CCOCC1)C[*:1] O=C(N[*:1])c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)F)c1ccc(Cl)cc1
COc1cc(C[NH2+]C2CC2)cc(Cl)c1OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1cc(cc(Cl)c1OC[*:1])C[NH2+]C1CC1
COc1cc(C[NH2+]C2CC2)cc(Cl)c1OC[C@@H]1CCCO1 C1CC1[*:1] COc1cc(cc(Cl)c1OC[C@@H]1CCCO1)C[NH2+][*:1]
COc1cc(C[NH2+]C2CC2)cc(Cl)c1OC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] COc1cc(cc(Cl)c1[*:1])C[NH2+]C1CC1
COc1cc(C[NH2+]C2CC2)cc(Cl)c1OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] COc1cc(cc(Cl)c1O[*:1])C[NH2+]C1CC1
C[C@@H](OC(=O)c1cc(C#N)cs1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](OC(=O)c1cc(C#N)cs1)[*:1]
O=Cc1ccccc1OCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 O=Cc1ccccc1[*:1] O=C(CO[*:1])N1CCc2cc(Cl)cc(Cl)c2C1
CN(C)C1([C@@H]([NH3+])[C@@H]2CCO[C@]3(CCOC3)C2)CCCCC1 CN(C)[*:1] [NH3+][C@@H]([C@@H]1CCO[C@]2(CCOC2)C1)C1(CCCCC1)[*:1]
CCC(CC)[C@@H](O)CNc1cc(Br)cc(F)c1C(N)=O NC(=O)[*:1] CCC(CC)[C@@H](O)CNc1cc(Br)cc(F)c1[*:1]
CCC(CC)[C@@H](O)CNc1cc(Br)cc(F)c1C(N)=O CCC(CC)[*:1] NC(=O)c1c(F)cc(Br)cc1NC[C@H](O)[*:1]
Cc1cc([C@H](C)NC(=O)Nc2ccn(CC(=O)N3CC[NH+](C)CC3)n2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](NC(=O)Nc1ccn(CC(=O)N2CC[NH+](C)CC2)n1)[*:1]
Cc1cc([C@H](C)NC(=O)Nc2ccn(CC(=O)N3CC[NH+](C)CC3)n2)c(C)o1 Cc1cc(c(C)o1)[C@H](C)[*:1] C[NH+]1CCN(CC1)C(=O)Cn1ccc(n1)NC(=O)N[*:1]
CN(CC(=O)N(CCC(F)(F)F)C1CCC1)c1ncnc2[nH]cnc12 C1CC(C1)[*:1] CN(CC(=O)N(CCC(F)(F)F)[*:1])c1ncnc2[nH]cnc12
CN(CC(=O)N(CCC(F)(F)F)C1CCC1)c1ncnc2[nH]cnc12 FC(F)(F)C[*:1] CN(CC(=O)N(C[*:1])C1CCC1)c1ncnc2[nH]cnc12
CN(CC(=O)N(CCC(F)(F)F)C1CCC1)c1ncnc2[nH]cnc12 FC(F)(F)CC[*:1] CN(CC(=O)N(C1CCC1)[*:1])c1ncnc2[nH]cnc12
CN(CC(=O)N(CCC(F)(F)F)C1CCC1)c1ncnc2[nH]cnc12 FC(F)(F)[*:1] CN(CC(=O)N(CC[*:1])C1CCC1)c1ncnc2[nH]cnc12
C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCc2c(sc(N)c2C#N)C1 Clc1cccc(c1)O[*:1] C[C@@H](C(=O)N1CCc2c(C1)sc(N)c2C#N)[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCc2c(sc(N)c2C#N)C1 Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N1CCc2c(C1)sc(N)c2C#N
Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCCC3)CCC(=O)N2C)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)CC[C@H](C(=O)N2CCCCC2)[C@H]1[*:1]
C/[NH+]=C(\NCc1cccc(-n2ccnc2)c1)NC[C@H](C)C#N c1cn(cn1)[*:1] C/[NH+]=C(\NCc1cccc(c1)[*:1])NC[C@H](C)C#N
O=C(CN1CCN(c2ncnc3[nH]cnc23)CC1)N1CCc2ccccc21 c1nc(c2nc[nH]c2n1)[*:1] O=C(CN1CCN(CC1)[*:1])N1CCc2ccccc21
O=CNc1ccc(CCOC=O)cc1 O=CO[*:1] O=CNc1ccc(cc1)CC[*:1]
O=CNc1ccc(CCOC=O)cc1 O=CN[*:1] O=COCCc1ccc(cc1)[*:1]
O=CNc1ccc(CCOC=O)cc1 O=COC[*:1] O=CNc1ccc(cc1)C[*:1]
C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC[C@H](O)C2)o1 C[C@@H]1C[C@H]1[*:1] O=C(/C=C/c1ccc(o1)[*:1])N1CCC[C@H](O)C1
COCc1ccc(CNC(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1 COC[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)[*:1])[C@H](C)c1ccccc1
COCc1ccc(CNC(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COCc1ccc(cc1)CNC(=O)N[C@H](C)[C@H](C)[*:1]
COCc1ccc(CNC(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1 C[C@H](c1ccccc1)[*:1] COCc1ccc(cc1)CNC(=O)N[C@H](C)[*:1]
O=C(Nc1nncs1)[C@H]1COc2ccccc2O1 c1nnc(s1)[*:1] O=C(N[*:1])[C@H]1COc2ccccc2O1
CCOC(=O)NC(=O)COc1csc(C(=O)[O-])c1 O=C([O-])[*:1] CCOC(=O)NC(=O)COc1csc(c1)[*:1]
O=c1cc(CO)oc([C@@H](Nc2cccc[nH+]2)c2cccs2)c1O c1csc(c1)[*:1] O=c1cc(CO)oc(c1O)[C@@H](Nc1cccc[nH+]1)[*:1]
CCOc1cc(NCc2cn[nH]c2N)ccc1[N+](=O)[O-] CCO[*:1] Nc1[nH]ncc1CNc1ccc(c(c1)[*:1])[N+](=O)[O-]
CCOc1cc(NCc2cn[nH]c2N)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1cc(ccc1[*:1])NCc1cn[nH]c1N
CCOc1cc(NCc2cn[nH]c2N)ccc1[N+](=O)[O-] Nc1[nH]ncc1[*:1] CCOc1cc(ccc1[N+](=O)[O-])NC[*:1]
Cc1c(F)cccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 Cc1c(F)cccc1[*:1] O=C(NCc1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
Cc1c(F)cccc1NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1c(F)cccc1NC(=O)C(=O)NCc1ccc(cc1)[*:1]
O=C(Nc1nnc(-c2ccccc2Cl)o1)C1=COCCO1 Clc1ccccc1[*:1] O=C(Nc1nnc(o1)[*:1])C1=COCCO1
N#CCCN(C(=O)C(=O)NCC#N)c1ccccc1 c1ccc(cc1)[*:1] N#CCCN(C(=O)C(=O)NCC#N)[*:1]
N#CCCN(C(=O)C(=O)NCC#N)c1ccccc1 N#CC[*:1] N#CCNC(=O)C(=O)N(C[*:1])c1ccccc1
N#CCCN(C(=O)C(=O)NCC#N)c1ccccc1 N#CCC[*:1] N#CCNC(=O)C(=O)N(c1ccccc1)[*:1]
N#CCCN(C(=O)C(=O)NCC#N)c1ccccc1 N#CC[*:1] N#CCCN(C(=O)C(=O)N[*:1])c1ccccc1
CCC(=O)Nc1nc2c(OC)cc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2s1 CCC(=O)N[*:1] COc1cc(OC)c(cc1Cl)NC(=O)Nc1cc(OC)c2nc(sc2c1)[*:1]
CC(C)[C@H](O)CNC(=O)CNC(=O)C(C)(C)C CC(C)(C)[*:1] CC(C)[C@H](O)CNC(=O)CNC(=O)[*:1]
CC(C)[C@H](O)CNC(=O)CNC(=O)C(C)(C)C CC(C)[*:1] CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)[*:1]
CC(C)[C@H](O)CNC(=O)CNC(=O)C(C)(C)C CC(C)[C@H](O)[*:1] CC(C)(C)C(=O)NCC(=O)NC[*:1]
CC(=O)NCC[C@H]1CCCCN1C(=O)c1ccccc1-c1cccc(C)c1 Cc1cccc(c1)[*:1] CC(=O)NCC[C@H]1CCCCN1C(=O)c1ccccc1[*:1]
CC(=O)NCC[C@H]1CCCCN1C(=O)c1ccccc1-c1cccc(C)c1 CC(=O)N[*:1] Cc1cccc(c1)-c1ccccc1C(=O)N1CCCC[C@@H]1CC[*:1]
CC(=O)NCC[C@H]1CCCCN1C(=O)c1ccccc1-c1cccc(C)c1 CC(=O)NCC[*:1] Cc1cccc(c1)-c1ccccc1C(=O)N1CCCC[C@@H]1[*:1]
CC(=O)NCC[C@H]1CCCCN1C(=O)c1ccccc1-c1cccc(C)c1 CC(=O)NC[*:1] Cc1cccc(c1)-c1ccccc1C(=O)N1CCCC[C@@H]1C[*:1]
O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1nc(oc1=O)-c1ccc(F)cc1)NC[*:1]
O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(Cn1nc(oc1=O)-c1ccc(F)cc1)N[*:1]
O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1nc(oc1=O)[*:1])NCc1ccc(F)cc1
C[C@H]1Cc2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2N1C(=O)c1ccccc1 Clc1cccc(c1)[*:1] C[C@H]1Cc2ccc(cc2N1C(=O)c1ccccc1)CNS(=O)(=O)[*:1]
C[C@H]1Cc2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1Cc2ccc(cc2N1C(=O)[*:1])CNS(=O)(=O)c1cccc(Cl)c1
Cc1nc(N2CC[C@@](O)(C(F)(F)F)C2)nc(C)c1CC(C)C CC(C)C[*:1] Cc1nc(nc(C)c1[*:1])N1CC[C@](O)(C1)C(F)(F)F
Cc1nc(N2CC[C@@](O)(C(F)(F)F)C2)nc(C)c1CC(C)C FC(F)(F)[*:1] Cc1nc(nc(C)c1CC(C)C)N1CC[C@@](O)(C1)[*:1]
Cc1nc(N2CC[C@@](O)(C(F)(F)F)C2)nc(C)c1CC(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[*:1])N1CC[C@](O)(C1)C(F)(F)F
Cc1ccc(C)c(NC(=O)/C=C/C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)NC(=O)C=C[*:1]
Cc1ccc(C)c(NC(=O)/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] Cc1ccc(C)c(c1)NC(=O)[*:1]
CCC[NH2+]Cc1cncc(N2CCOCC2(C)C)n1 CCC[*:1] CC1(C)COCCN1c1cncc(C[NH2+][*:1])n1
CN(C)c1ncccc1C[NH2+]Cc1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)c1ncccc1C[NH2+]Cc1cccc(c1)O[*:1]
CN(C)c1ncccc1C[NH2+]Cc1cccc(Oc2ccccc2)c1 CN(C)[*:1] c1ccc(cc1)Oc1cccc(c1)C[NH2+]Cc1cccnc1[*:1]
CN(C)c1ncccc1C[NH2+]Cc1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] CN(C)c1ncccc1C[NH2+]Cc1cccc(c1)[*:1]
COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1 COc1ccccc1[*:1] O=C(C[*:1])N1CCC(CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2
Cc1cc(O)cc(C(=O)NCc2ncn(C)n2)c1 Cn1cnc(n1)[*:1] Cc1cc(O)cc(c1)C(=O)NC[*:1]
Cc1noc(C)c1CC(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1 Cc1noc(C)c1[*:1] C[C@H](OC(=O)C[*:1])C(=O)Nc1ccc(F)cc1
Cc1noc(C)c1CC(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1noc(C)c1CC(=O)O[C@@H](C)C(=O)N[*:1]
COc1cccc(S(=O)(=O)NCC2CCN(c3ncccn3)CC2)c1 c1cnc(nc1)[*:1] COc1cccc(c1)S(=O)(=O)NCC1CCN(CC1)[*:1]
COc1cccc(S(=O)(=O)NCC2CCN(c3ncccn3)CC2)c1 COc1cccc(c1)[*:1] O=S(=O)(NCC1CCN(CC1)c1ncccn1)[*:1]
CCOc1ccccc1/C=N/[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCOc1ccccc1/C=N/[N-]S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccccc1/C=N/[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 CCO[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)[N-]/N=C/c1ccccc1[*:1]
N#CN1C[C@H](C(=O)N2CCCCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21 O=C(N1CCCCC1)[*:1] N#CN1C[C@H](C=C2c3cccc4[nH]cc(C[C@H]21)c34)[*:1]
Cc1nc(CSc2ccccc2C(=O)N2CC=C(c3ccccc3)CC2)no1 Cc1nc(C[*:1])no1 O=C(c1ccccc1S[*:1])N1CC=C(CC1)c1ccccc1
Cc1nc(CSc2ccccc2C(=O)N2CC=C(c3ccccc3)CC2)no1 Cc1nc(no1)[*:1] O=C(c1ccccc1SC[*:1])N1CC=C(CC1)c1ccccc1
Cc1nc(CSc2ccccc2C(=O)N2CC=C(c3ccccc3)CC2)no1 c1ccc(cc1)[*:1] Cc1nc(CSc2ccccc2C(=O)N2CC=C(CC2)[*:1])no1
Cc1nc(CSc2ccccc2C(=O)N2CC=C(c3ccccc3)CC2)no1 Cc1nc(CS[*:1])no1 O=C(c1ccccc1[*:1])N1CC=C(CC1)c1ccccc1
O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H](CC(F)(F)F)[*:1]
O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H](C[*:1])c1ccc(F)cc1
O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H](c1ccc(F)cc1)[*:1]
C[C@H]1CCC[C@@H](N2CCC([NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)CC2)C1 Fc1cc(ccc1Cl)[*:1] C[C@H]1CCC[C@H](C1)N1CCC(CC1)[NH2+]C[C@H](O)[*:1]
C[C@H]1CCC[C@@H](N2CCC([NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)CC2)C1 C[C@H]1CCC[C@@H](C1)[*:1] O[C@@H](C[NH2+]C1CCN(CC1)[*:1])c1ccc(Cl)c(F)c1
CCc1ccccc1N1C[C@H](c2nnc(NC(=O)CC(C)C)s2)CC1=O CC(C)C[*:1] CCc1ccccc1N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])s1
CCc1ccccc1N1C[C@H](c2nnc(NC(=O)CC(C)C)s2)CC1=O CC(C)CC(=O)N[*:1] CCc1ccccc1N1C[C@@H](CC1=O)c1nnc(s1)[*:1]
CCc1ccccc1N1C[C@H](c2nnc(NC(=O)CC(C)C)s2)CC1=O CC(C)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)c1nnc(NC(=O)C[*:1])s1
CCc1ccccc1N1C[C@H](c2nnc(NC(=O)CC(C)C)s2)CC1=O CCc1ccccc1[*:1] CC(C)CC(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCc1ccc(F)cc1)c1c[nH]c2nc(-c3ccccc3)ccc12 Fc1ccc(cc1)C[*:1] O=C(N[*:1])c1c[nH]c2nc(ccc12)-c1ccccc1
O=C(NCc1ccc(F)cc1)c1c[nH]c2nc(-c3ccccc3)ccc12 c1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)c1c[nH]c2nc(ccc12)[*:1]
O=C(NCc1ccc(F)cc1)c1c[nH]c2nc(-c3ccccc3)ccc12 Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1c[nH]c2nc(ccc12)-c1ccccc1
COc1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])NC(=O)CSc1ccc2CCCc2c1
CCOC(=O)CSc1nc(N)c(C#N)c(C(=O)c2ccccc2)c1C#N CCOC(=O)[*:1] N#Cc1c(N)nc(SC[*:1])c(C#N)c1C(=O)c1ccccc1
CCOC(=O)CSc1nc(N)c(C#N)c(C(=O)c2ccccc2)c1C#N c1ccc(cc1)[*:1] CCOC(=O)CSc1nc(N)c(C#N)c(C(=O)[*:1])c1C#N
CCOC(=O)CSc1nc(N)c(C#N)c(C(=O)c2ccccc2)c1C#N CCOC(=O)C[*:1] N#Cc1c(N)nc(S[*:1])c(C#N)c1C(=O)c1ccccc1
CCOC(=O)CSc1nc(N)c(C#N)c(C(=O)c2ccccc2)c1C#N CCOC(=O)CS[*:1] N#Cc1c(N)nc(c(C#N)c1C(=O)c1ccccc1)[*:1]
CCOC(=O)CSc1nc(N)c(C#N)c(C(=O)c2ccccc2)c1C#N O=C(c1ccccc1)[*:1] CCOC(=O)CSc1nc(N)c(C#N)c(c1C#N)[*:1]
CC1=Nc2ccccc2N=C2C[C@@H](c3cccs3)CC(=O)[C@@H]12 c1csc(c1)[*:1] CC1=Nc2ccccc2N=C2C[C@@H](CC(=O)[C@@H]12)[*:1]
CC[C@@H](C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)cc(NC(C)=O)c1=O CC(=O)N[*:1] CC[C@@H](C(=O)Nc1ccccc1Cl)n1nc(cc(c1=O)[*:1])-c1ccccc1
CC[C@@H](C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)cc(NC(C)=O)c1=O c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccccc1Cl)n1nc(cc(NC(C)=O)c1=O)[*:1]
CC[C@@H](C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)cc(NC(C)=O)c1=O O=C(Nc1ccccc1Cl)[*:1] CC[C@@H](n1nc(cc(NC(C)=O)c1=O)-c1ccccc1)[*:1]
CC[C@@H](C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)cc(NC(C)=O)c1=O Clc1ccccc1[*:1] CC[C@@H](C(=O)N[*:1])n1nc(cc(NC(C)=O)c1=O)-c1ccccc1
CS(=O)(=O)N1CCCN(Cn2cc([N+](=O)[O-])cn2)CC1 O=[N+]([O-])[*:1] CS(=O)(=O)N1CCCN(CC1)Cn1cc(cn1)[*:1]
CC(=O)c1cc(F)c(C)cc1O[C@@H]1C[C@@H](C)CC(C)(C)C1 CC(=O)[*:1] Cc1cc(O[C@@H]2C[C@@H](C)CC(C)(C)C2)c(cc1F)[*:1]
Cn1c(Cn2cncn2)nnc1C1CC[NH+](CCCc2ccccc2)CC1 c1ncn(n1)[*:1] Cn1c(C[*:1])nnc1C1CC[NH+](CCCc2ccccc2)CC1
Cn1c(Cn2cncn2)nnc1C1CC[NH+](CCCc2ccccc2)CC1 c1ncn(C[*:1])n1 Cn1c(nnc1[*:1])C1CC[NH+](CCCc2ccccc2)CC1
Cn1c(Cn2cncn2)nnc1C1CC[NH+](CCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] Cn1c(Cn2cncn2)nnc1C1CC[NH+](CC1)C[*:1]
Cn1c(Cn2cncn2)nnc1C1CC[NH+](CCCc2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1c(Cn2cncn2)nnc1C1CC[NH+](CCC[*:1])CC1
Cn1c(Cn2cncn2)nnc1C1CC[NH+](CCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cn1c(Cn2cncn2)nnc1C1CC[NH+](CC1)CC[*:1]
Cn1c(Cn2cncn2)nnc1C1CC[NH+](CCCc2ccccc2)CC1 c1ccc(cc1)CCC[*:1] Cn1c(Cn2cncn2)nnc1C1CC[NH+](CC1)[*:1]
COc1cc(C(=O)N[C@H](C(=O)[O-])C2=C(C)N=N[C@H]2C)ccc1C O=C([O-])[*:1] COc1cc(ccc1C)C(=O)N[C@H](C1=C(C)N=N[C@H]1C)[*:1]
Cc1nc(C[C@@H]2CCCN(C(=O)c3cccc(-c4ccoc4)c3)C2)no1 c1cc(co1)[*:1] Cc1nc(C[C@@H]2CCCN(C2)C(=O)c2cccc(c2)[*:1])no1
Cc1nc(C[C@@H]2CCCN(C(=O)c3cccc(-c4ccoc4)c3)C2)no1 Cc1nc(no1)[*:1] O=C(c1cccc(c1)-c1ccoc1)N1CCC[C@H](C1)C[*:1]
Cc1nc(C[C@@H]2CCCN(C(=O)c3cccc(-c4ccoc4)c3)C2)no1 Cc1nc(C[*:1])no1 O=C(c1cccc(c1)-c1ccoc1)N1CCC[C@H](C1)[*:1]
COc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc3nncn3c2)c1 COc1cccc(c1)C[*:1] Cc1ccc(cc1F)N(S(=O)(=O)c1ccc2nncn2c1)[*:1]
COc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc3nncn3c2)c1 Cc1ccc(cc1F)[*:1] COc1cccc(c1)CN(S(=O)(=O)c1ccc2nncn2c1)[*:1]
COc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc3nncn3c2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1F)N(C[*:1])S(=O)(=O)c1ccc2nncn2c1
Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])NC(=O)CSc1nnc(N)s1
Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1S(=O)(=O)N1CCCCC1 Nc1nnc(SC[*:1])s1 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)[*:1]
Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1S(=O)(=O)N1CCCCC1 Nc1nnc(S[*:1])s1 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)C[*:1]
Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1S(=O)(=O)N1CCCCC1 Nc1nnc(s1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)CS[*:1]
C[C@H]1CCCN(C(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)C1 c1cnn(c1)[*:1] C[C@H]1CCCN(C1)C(=O)[C@H]1CCCN(C1)c1cc(ncn1)[*:1]
CCOc1c(Cl)cc(C(=O)Nc2ccncc2)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)Nc1ccncc1
CCOc1c(Cl)cc(C(=O)Nc2ccncc2)cc1OC c1cc(ccn1)[*:1] CCOc1c(Cl)cc(cc1OC)C(=O)N[*:1]
Cc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 Cc1ccccc1C[*:1] CN(C)S(=O)(=O)c1ccc(cc1)OCC(=O)N[*:1]
Cc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 Cc1ccccc1[*:1] CN(C)S(=O)(=O)c1ccc(cc1)OCC(=O)NC[*:1]
Cc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccccc1CNC(=O)COc1ccc(cc1)[*:1]
CCCn1nccc1C(=O)N[C@@H](CC)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCn1nccc1C(=O)N[C@@H](CC)[*:1]
CCCn1nccc1C(=O)N[C@@H](CC)c1ccc(C)cc1 CCC[*:1] CC[C@H](NC(=O)c1ccnn1[*:1])c1ccc(C)cc1
COCC1CCN([C@H](C[NH3+])c2ccc(Br)c(C)c2)CC1 COC[*:1] Cc1cc(ccc1Br)[C@@H](C[NH3+])N1CCC(CC1)[*:1]
CCOC(=O)CN(CC(F)(F)F)C(=O)c1cccc(Br)c1 FC(F)(F)[*:1] CCOC(=O)CN(C[*:1])C(=O)c1cccc(Br)c1
CCOC(=O)CN(CC(F)(F)F)C(=O)c1cccc(Br)c1 CCOC(=O)C[*:1] O=C(c1cccc(Br)c1)N(CC(F)(F)F)[*:1]
CCOC(=O)CN(CC(F)(F)F)C(=O)c1cccc(Br)c1 CCOC(=O)[*:1] O=C(c1cccc(Br)c1)N(CC(F)(F)F)C[*:1]
CCOC(=O)CN(CC(F)(F)F)C(=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CCOC(=O)CN(CC(F)(F)F)C(=O)[*:1]
CCOC(=O)CN(CC(F)(F)F)C(=O)c1cccc(Br)c1 FC(F)(F)C[*:1] CCOC(=O)CN(C(=O)c1cccc(Br)c1)[*:1]
CCNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1 Fc1ccc(cc1Cl)[*:1] CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[*:1])cc1
CCNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1 CCNS(=O)(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1ccc(F)c(Cl)c1
Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)ncc1[N+](=O)[O-] CC(C)C[*:1] Cc1cc(ncc1[N+](=O)[O-])NC[C@H]([NH+](C)C)[*:1]
Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])NC[C@H](CC(C)C)[NH+](C)C
Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)ncc1[N+](=O)[O-] CC(C)[*:1] Cc1cc(ncc1[N+](=O)[O-])NC[C@H](C[*:1])[NH+](C)C
O=C(c1ccco1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 C1CC(C1)c1nc(no1)[*:1] O=C(c1ccco1)N1CCN(CC1)c1ccc(cc1)[*:1]
O=C(c1ccco1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 C1CC(C1)[*:1] O=C(c1ccco1)N1CCN(CC1)c1ccc(cc1)-c1noc(n1)[*:1]
O=C(c1ccco1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 c1coc(c1)[*:1] O=C(N1CCN(CC1)c1ccc(cc1)-c1noc(n1)C1CCC1)[*:1]
CCC(O)(CC)CNC(=O)C(=O)Nc1cc(C)on1 CCC(O)(CC)[*:1] Cc1cc(no1)NC(=O)C(=O)NC[*:1]
CCC(O)(CC)CNC(=O)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CCC(O)(CC)CNC(=O)C(=O)N[*:1]
C[C@@H](Cl)[C@H](C)c1ccc(F)c(Cl)c1 C[C@@H](Cl)[*:1] C[C@H](c1ccc(F)c(Cl)c1)[*:1]
CC(C)C[NH+](C)CC(=O)Nc1ccccc1N CC(C)C[*:1] C[NH+](CC(=O)Nc1ccccc1N)[*:1]
CC(C)C[NH+](C)CC(=O)Nc1ccccc1N CC(C)[*:1] C[NH+](CC(=O)Nc1ccccc1N)C[*:1]
CCc1cnc(CN(C)C(=O)c2csc(-c3cnccn3)n2)s1 CCc1cnc(s1)[*:1] CN(C[*:1])C(=O)c1csc(n1)-c1cnccn1
CCc1cnc(CN(C)C(=O)c2csc(-c3cnccn3)n2)s1 c1cnc(cn1)[*:1] CCc1cnc(CN(C)C(=O)c2csc(n2)[*:1])s1
c1ccc(N2CC[NH+](C[C@H]3CCCN(Cc4cccc5[nH]ccc45)C3)CC2)nc1 c1ccc(nc1)[*:1] c1cc(CN2CCC[C@@H](C2)C[NH+]2CCN(CC2)[*:1])c2cc[nH]c2c1
c1ccc(N2CC[NH+](C[C@H]3CCCN(Cc4cccc5[nH]ccc45)C3)CC2)nc1 c1cc(c2cc[nH]c2c1)[*:1] c1ccc(nc1)N1CC[NH+](CC1)C[C@H]1CCCN(C1)C[*:1]
Cc1c(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)C(=O)NC[C@H](C)c1nc(no1)[*:1]
Cc1c(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)cnn1C Cc1c(cnn1C)[*:1] C[C@@H](CNC(=O)[*:1])c1nc(no1)-c1ccccc1
Cc1cccc2c(CCNC(=O)NC[C@@H](O)c3cnn(C)c3)c[nH]c12 Cn1cc(cn1)[*:1] Cc1cccc2c(c[nH]c12)CCNC(=O)NC[C@@H](O)[*:1]
CC(=O)Nc1ccc(SCC(=O)c2c(C)c(C)cc(C)c2C)cc1 CC(=O)N[*:1] Cc1cc(C)c(C)c(C(=O)CSc2ccc(cc2)[*:1])c1C
Cc1c(Cl)cc(C(=O)N2CCC(c3nncn3C)CC2)cc1Cl Cn1cnnc1[*:1] Cc1c(Cl)cc(cc1Cl)C(=O)N1CCC(CC1)[*:1]
C[C@H](O)CNC(=O)c1cccc(OCc2nccn2C(F)F)c1 C[C@H](O)CNC(=O)[*:1] FC(F)n1ccnc1COc1cccc(c1)[*:1]
C[C@H](O)CNC(=O)c1cccc(OCc2nccn2C(F)F)c1 C[C@H](O)C[*:1] O=C(N[*:1])c1cccc(c1)OCc1nccn1C(F)F
C[C@H](O)CNC(=O)c1cccc(OCc2nccn2C(F)F)c1 FC(F)[*:1] C[C@H](O)CNC(=O)c1cccc(c1)OCc1nccn1[*:1]
C[C@H](O)CNC(=O)c1cccc(OCc2nccn2C(F)F)c1 C[C@H](O)[*:1] O=C(NC[*:1])c1cccc(c1)OCc1nccn1C(F)F
CN(C)c1ccc(C(=O)/C=C/c2c(Cl)nc3sccn23)cc1 CN(C)[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)c1ccc(cc1)[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1ccc(OCC(=O)C2CC2)cc1 O=C(C1CC1)[*:1] O=C(NCc1ccc2OCOc2c1)c1ccc(cc1)OC[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1ccc(OCC(=O)C2CC2)cc1 O=C(C[*:1])C1CC1 O=C(NCc1ccc2OCOc2c1)c1ccc(cc1)O[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1ccc(OCC(=O)C2CC2)cc1 O=C(CO[*:1])C1CC1 O=C(NCc1ccc2OCOc2c1)c1ccc(cc1)[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1ccc(OCC(=O)C2CC2)cc1 C1CC1[*:1] O=C(NCc1ccc2OCOc2c1)c1ccc(cc1)OCC(=O)[*:1]
Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1nnc(NC(=O)[*:1])o1
Cc1nc(C)c(/C=C/C[NH2+]C2CC2)s1 C1CC1[*:1] Cc1nc(C)c(/C=C/C[NH2+][*:1])s1
O=S(=O)(Cc1cccc(F)c1)Cc1cccc2ccccc12 Fc1cccc(c1)[*:1] O=S(=O)(Cc1cccc2ccccc12)C[*:1]
C/[NH+]=C(/NCc1ccc(C(=O)N(C)C)cc1)NCc1ccc(Cl)nc1 Clc1ccc(cn1)C[*:1] C/[NH+]=C(/NCc1ccc(cc1)C(=O)N(C)C)N[*:1]
C/[NH+]=C(/NCc1ccc(C(=O)N(C)C)cc1)NCc1ccc(Cl)nc1 CN(C)C(=O)[*:1] C/[NH+]=C(/NCc1ccc(cc1)[*:1])NCc1ccc(Cl)nc1
C/[NH+]=C(/NCc1ccc(C(=O)N(C)C)cc1)NCc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] C/[NH+]=C(/NCc1ccc(cc1)C(=O)N(C)C)NC[*:1]
Cc1ccc2[nH]c(=S)n([C@@H](C)Cc3ccco3)c2c1 c1coc(c1)[*:1] Cc1ccc2[nH]c(=S)n(c2c1)[C@@H](C)C[*:1]
Cc1ccc2[nH]c(=S)n([C@@H](C)Cc3ccco3)c2c1 c1coc(c1)C[*:1] Cc1ccc2[nH]c(=S)n(c2c1)[C@@H](C)[*:1]
CC(C)n1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cn1 O=[N+]([O-])[*:1] CC(C)n1cc(cn1)NC(=O)CCc1cccc(c1)[*:1]
CC(C)n1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cn1 CC(C)[*:1] O=C(CCc1cccc(c1)[N+](=O)[O-])Nc1cnn(c1)[*:1]
O=C(NCc1ccccc1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCc1ccccc1)Nc1cccc(c1)[*:1]
O=C(NCc1ccccc1)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N[*:1]
O=C(NCc1ccccc1)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(NC[*:1])Nc1cccc(c1)C(F)(F)F
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CCS(C)(=O)=O CS(=O)(=O)[*:1] Cc1cc(ccc1NC(=O)CC[*:1])C(=O)NC1CCCC1
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CCS(C)(=O)=O C1CCC(C1)[*:1] Cc1cc(ccc1NC(=O)CCS(C)(=O)=O)C(=O)N[*:1]
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] Cc1cc(ccc1NC(=O)[*:1])C(=O)NC1CCCC1
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CCS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1cc(ccc1NC(=O)C[*:1])C(=O)NC1CCCC1
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CCS(C)(=O)=O O=C(NC1CCCC1)[*:1] Cc1cc(ccc1NC(=O)CCS(C)(=O)=O)[*:1]
Cc1ccccc1OCC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 Cc1ccccc1O[*:1] CN(C)C(=O)CCc1ccc(cc1)NC(=O)C[*:1]
Cc1ccccc1OCC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 Cc1ccccc1[*:1] CN(C)C(=O)CCc1ccc(cc1)NC(=O)CO[*:1]
Cc1ccccc1OCC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] Cc1ccccc1OCC(=O)Nc1ccc(cc1)CC[*:1]
Cc1ccccc1OCC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 CN(C)C(=O)CC[*:1] Cc1ccccc1OCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1OCC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 CN(C)C(=O)C[*:1] Cc1ccccc1OCC(=O)Nc1ccc(cc1)C[*:1]
COC(=O)c1ccc(NC(=O)NCCc2cn3ccccc3n2)cc1 COC(=O)[*:1] O=C(NCCc1cn2ccccc2n1)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 Cc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1cc(c(F)cc1F)[N+](=O)[O-]
Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1cc(c(F)cc1F)[*:1]
CC[NH2+]C1CC(c2ccc(OC(C)C)cc2)C1 CC(C)O[*:1] CC[NH2+]C1CC(C1)c1ccc(cc1)[*:1]
CC[NH2+]C1CC(c2ccc(OC(C)C)cc2)C1 CC(C)[*:1] CC[NH2+]C1CC(C1)c1ccc(cc1)O[*:1]
CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCC(CC1)NC(=O)c1ccc(N)c(c1)[N+](=O)[O-])[*:1]
CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1)c1ccccc1 O=[N+]([O-])[*:1] CC[C@@H](C(=O)N1CCC(CC1)NC(=O)c1ccc(N)c(c1)[*:1])c1ccccc1
CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1)c1ccccc1 Nc1ccc(cc1[N+](=O)[O-])[*:1] CC[C@@H](C(=O)N1CCC(CC1)NC(=O)[*:1])c1ccccc1
C=CCNC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N C=CCNC(=O)C[*:1] Cc1cc(c(C#N)c(n1)S[*:1])C(F)(F)F
C=CCNC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N C=CC[*:1] Cc1cc(c(C#N)c(n1)SCC(=O)N[*:1])C(F)(F)F
C=CCNC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N FC(F)(F)[*:1] C=CCNC(=O)CSc1nc(C)cc(c1C#N)[*:1]
C=CCNC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N C=CCNC(=O)[*:1] Cc1cc(c(C#N)c(n1)SC[*:1])C(F)(F)F
O=C1c2ccccc2N[C@H](c2ccccc2OC(F)F)N1C1CC1 FC(F)[*:1] O=C1c2ccccc2N[C@H](c2ccccc2O[*:1])N1C1CC1
O=C1c2ccccc2N[C@H](c2ccccc2OC(F)F)N1C1CC1 C1CC1[*:1] O=C1c2ccccc2N[C@H](c2ccccc2OC(F)F)N1[*:1]
O=C1c2ccccc2N[C@H](c2ccccc2OC(F)F)N1C1CC1 FC(F)O[*:1] O=C1c2ccccc2N[C@H](c2ccccc2[*:1])N1C1CC1
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3N3CCCN23)cc1 COc1ccc(cc1)[*:1] O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@H](N1CCCN21)[*:1]
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3N3CCCN23)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1[C@H]2C(=O)N(C(=O)[C@H]2N2CCCN12)[*:1]
CO[C@H](CNC(=O)NC[C@@H](O)c1ccc(F)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@H](CNC(=O)NC[C@@H](O)c1ccc(F)cc1)[*:1]
CO[C@H](CNC(=O)NC[C@@H](O)c1ccc(F)cc1)c1cccc(Cl)c1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)NC[C@@H](O)[*:1])c1cccc(Cl)c1
C[C@@H](CNC(=O)Cc1ccc[nH]1)CC1(C)OCCO1 CC1(OCCO1)[*:1] C[C@@H](CNC(=O)Cc1ccc[nH]1)C[*:1]
C[C@@H](CNC(=O)Cc1ccc[nH]1)CC1(C)OCCO1 c1c[nH]c(c1)[*:1] C[C@@H](CNC(=O)C[*:1])CC1(C)OCCO1
C[C@@H](CNC(=O)Cc1ccc[nH]1)CC1(C)OCCO1 c1c[nH]c(c1)C[*:1] C[C@@H](CNC(=O)[*:1])CC1(C)OCCO1
Cc1nn(C)c(Oc2cccc(F)c2)c1NCc1ccncc1 c1cc(ccn1)[*:1] Cc1nn(C)c(Oc2cccc(F)c2)c1NC[*:1]
Cc1nn(C)c(Oc2cccc(F)c2)c1NCc1ccncc1 c1cc(ccn1)C[*:1] Cc1nn(C)c(Oc2cccc(F)c2)c1N[*:1]
Cc1nn(C)c(Oc2cccc(F)c2)c1NCc1ccncc1 Fc1cccc(c1)[*:1] Cc1nn(C)c(O[*:1])c1NCc1ccncc1
C[C@@H](Cc1ccc(Br)cc1)NC(=O)/C=C/c1cnccn1 Brc1ccc(cc1)[*:1] C[C@@H](C[*:1])NC(=O)/C=C/c1cnccn1
C[C@@H](Cc1ccc(Br)cc1)NC(=O)/C=C/c1cnccn1 c1cnc(cn1)[*:1] C[C@@H](Cc1ccc(Br)cc1)NC(=O)C=C[*:1]
C[C@H](CNC(=O)CCC(=O)c1ccc(F)c(F)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)CCC(=O)c1ccc(F)c(F)c1)[*:1]
C[C@H](Sc1nnc2[nH]c3ccccc3n12)c1nc(N)nc(N(C)C)n1 CN(C)[*:1] C[C@H](Sc1nnc2[nH]c3ccccc3n12)c1nc(N)nc(n1)[*:1]
CC(C)(C)CC(=O)NC1CCCCCCC1 CC(C)(C)C[*:1] O=C(NC1CCCCCCC1)[*:1]
CC(C)(C)CC(=O)NC1CCCCCCC1 CC(C)(C)[*:1] O=C(C[*:1])NC1CCCCCCC1
CC[NH+](CC)CCCn1c([C@@H](C)Cl)nc2cnccc21 C[C@@H](Cl)[*:1] CC[NH+](CC)CCCn1c(nc2cnccc21)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C[C@@H](O)c3ccccc3)C2)nc1 O[C@@H](c1ccccc1)[*:1] Cc1ccc(nc1)NC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C[C@@H](O)c3ccccc3)C2)nc1 c1ccc(cc1)[*:1] Cc1ccc(nc1)NC(=O)[C@H]1CCCN(C1)C(=O)C[C@@H](O)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C[C@@H](O)c3ccccc3)C2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)C[C@@H](O)c1ccccc1
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C[C@@H](O)c3ccccc3)C2)nc1 O[C@H](C[*:1])c1ccccc1 Cc1ccc(nc1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC[C@@H](C)NC(=O)Cc1csc(-c2cccs2)n1 c1csc(c1)[*:1] CC[C@@H](C)NC(=O)Cc1csc(n1)[*:1]
CC[C@@H](C)NC(=O)Cc1csc(-c2cccs2)n1 CC[C@@H](C)[*:1] O=C(Cc1csc(n1)-c1cccs1)N[*:1]
COc1c(F)ccc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)c1F Cc1cccc(c1)C[*:1] COc1c(F)ccc(C(=O)N2CCN(CC2)[*:1])c1F
COc1c(F)ccc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)c1F Cc1cccc(c1)[*:1] COc1c(F)ccc(C(=O)N2CCN(CC2)C[*:1])c1F
C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccnc(Cl)c1 O=[N+]([O-])[*:1] C[C@H](NCCn1cc(cn1)[*:1])c1ccnc(Cl)c1
COCCCN(C(=O)C=C(C)C)[C@H]1CCS(=O)(=O)C1 CC(C)=C[*:1] COCCCN(C(=O)[*:1])[C@H]1CCS(=O)(=O)C1
COCCCN(C(=O)C=C(C)C)[C@H]1CCS(=O)(=O)C1 COCC[*:1] CC(C)=CC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COCCCN(C(=O)C=C(C)C)[C@H]1CCS(=O)(=O)C1 COCCC[*:1] CC(C)=CC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
COCCCN(C(=O)C=C(C)C)[C@H]1CCS(=O)(=O)C1 COC[*:1] CC(C)=CC(=O)N(CC[*:1])[C@H]1CCS(=O)(=O)C1
Cc1ccc(CCN(Cc2cnc3cnccn23)CC(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)CCN(Cc1cnc2cnccn12)C[*:1]
Cc1ccc(CCN(Cc2cnc3cnccn23)CC(F)(F)F)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)CCN(Cc1cnc2cnccn12)[*:1]
Cc1ccc(CCN(Cc2cnc3cnccn23)CC(F)(F)F)cc1 Cc1ccc(cc1)C[*:1] FC(F)(F)CN(Cc1cnc2cnccn12)C[*:1]
Cc1ccc(CCN(Cc2cnc3cnccn23)CC(F)(F)F)cc1 Cc1ccc(cc1)[*:1] FC(F)(F)CN(CC[*:1])Cc1cnc2cnccn12
COc1ccc(OC)c([C@@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)N2CCN(C)CC2)c1 CN1CCN(CC1)C(=O)[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@@H]1[*:1])C(=O)NC(C)(C)C
COc1ccc(OC)c([C@@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)N2CCN(C)CC2)c1 CC(C)(C)[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@H]1C(=O)N1CCN(C)CC1)C(=O)N[*:1]
COc1ccc(OC)c([C@@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)N2CCN(C)CC2)c1 COc1ccc(OC)c(c1)[*:1] CN1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1[*:1])C(=O)NC(C)(C)C
CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cn(C)nc1C(C)(C)C CC(C)(C)[*:1] CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cn(C)nc1[*:1]
CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cn(C)nc1C(C)(C)C Fc1cc(F)cc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1cn(C)nc1C(C)(C)C
[O-]c1cc(C[NH+](Cc2ccc(Cl)cc2)C2CC2)nc2ccnn12 C1CC1[*:1] [O-]c1cc(C[NH+](Cc2ccc(Cl)cc2)[*:1])nc2ccnn12
[O-]c1cc(C[NH+](Cc2ccc(Cl)cc2)C2CC2)nc2ccnn12 Clc1ccc(cc1)[*:1] [O-]c1cc(C[NH+](C[*:1])C2CC2)nc2ccnn12
COc1ccccc1N1/C(=N/C(=O)[C@@H]2CCCO2)S[C@H]2CS(=O)(=O)C[C@H]21 COc1ccccc1[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1])[C@@H]1CCCO1
COc1ccccc1N1/C(=N/C(=O)[C@@H]2CCCO2)S[C@H]2CS(=O)(=O)C[C@H]21 C1CO[C@@H](C1)[*:1] COc1ccccc1N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1ccc(Cl)cc1[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1[*:1]
Clc1cccc(-c2ccc(C[NH2+]Cc3cccs3)o2)c1 c1csc(c1)[*:1] Clc1cccc(c1)-c1ccc(C[NH2+]C[*:1])o1
Clc1cccc(-c2ccc(C[NH2+]Cc3cccs3)o2)c1 c1csc(c1)C[*:1] Clc1cccc(c1)-c1ccc(C[NH2+][*:1])o1
CC[C@H]([NH3+])[C@H](Sc1cc2ccccc2[nH]1)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@H]([NH3+])[C@H](Sc1cc2ccccc2[nH]1)[*:1]
CCC/C=C/[C@@H]1OC[C@@H](C)O1 CCC[*:1] C[C@@H]1CO[C@@H](C=C[*:1])O1
COC(=O)C1(NC(=O)c2cnccn2)CCCC1 c1cnc(cn1)[*:1] COC(=O)C1(CCCC1)NC(=O)[*:1]
COC(=O)C1(NC(=O)c2cnccn2)CCCC1 COC(=O)[*:1] O=C(NC1(CCCC1)[*:1])c1cnccn1
COCCOCCNC(=O)Nc1cccc(C)c1C COCC[*:1] Cc1cccc(NC(=O)NCCO[*:1])c1C
COCCOCCNC(=O)Nc1cccc(C)c1C COCCO[*:1] Cc1cccc(NC(=O)NCC[*:1])c1C
COCCOCCNC(=O)Nc1cccc(C)c1C COCCOC[*:1] Cc1cccc(NC(=O)NC[*:1])c1C
COCCOCCNC(=O)Nc1cccc(C)c1C COC[*:1] Cc1cccc(NC(=O)NCCOC[*:1])c1C
CC(C)Oc1ccc(S(=O)(=O)[N-]c2ncnn2C)cc1 CC(C)O[*:1] Cn1ncnc1[N-]S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(S(=O)(=O)[N-]c2ncnn2C)cc1 CC(C)[*:1] Cn1ncnc1[N-]S(=O)(=O)c1ccc(cc1)O[*:1]
c1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc(N2CCCC2)c1 C1CCN(C1)[*:1] c1cc(cc(c1)[*:1])C[NH2+][C@H]1CCOC2(CCOCC2)C1
CSC[C@@H](CCO)Nc1ccc2nnc(-c3ccccc3)n2n1 c1ccc(cc1)[*:1] CSC[C@@H](CCO)Nc1ccc2nnc(n2n1)[*:1]
CSC[C@@H](CCO)Nc1ccc2nnc(-c3ccccc3)n2n1 OCC[*:1] CSC[C@@H](Nc1ccc2nnc(-c3ccccc3)n2n1)[*:1]
CSC[C@@H](CCO)Nc1ccc2nnc(-c3ccccc3)n2n1 CSC[*:1] OCC[C@@H](Nc1ccc2nnc(-c3ccccc3)n2n1)[*:1]
CCCc1cc(NC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)n(C)n1 Cn1ccnc1[*:1] CCCc1cc(NC(=O)N[C@H](c2ccc(F)cc2)[*:1])n(C)n1
CCCc1cc(NC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)n(C)n1 CCC[*:1] Cn1ccnc1[C@H](NC(=O)Nc1cc(nn1C)[*:1])c1ccc(F)cc1
CCCc1cc(NC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)n(C)n1 CCCc1cc(n(C)n1)[*:1] Cn1ccnc1[C@H](NC(=O)N[*:1])c1ccc(F)cc1
CCCc1cc(NC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)n(C)n1 Fc1ccc(cc1)[*:1] CCCc1cc(NC(=O)N[C@H](c2nccn2C)[*:1])n(C)n1
O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1csc2ncccc2c1=O O=C(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1csc2ncccc2c1=O
O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1csc2ncccc2c1=O O=C(C[*:1])N1CCOCC1 O=C(Nc1ccc(cc1)[*:1])c1csc2ncccc2c1=O
COCCNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 COCC[*:1] C[C@H]1CCc2sc(cc2C1)-c1nnc(o1)SCC(=O)NC(=O)N[*:1]
COCCNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 COC[*:1] C[C@H]1CCc2sc(cc2C1)-c1nnc(o1)SCC(=O)NC(=O)NC[*:1]
Cn1cc(S(=O)(=O)NC(C2CC2)C2CC2)c(=O)n(C)c1=O C1CC1[*:1] Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)NC(C1CC1)[*:1]
Cn1cc(S(=O)(=O)NC(C2CC2)C2CC2)c(=O)n(C)c1=O C1CC1C(C1CC1)[*:1] Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)N[*:1]
CCC(=O)c1ccc(OC(=O)C2CCOCC2)cc1 C1CC(CCO1)[*:1] CCC(=O)c1ccc(cc1)OC(=O)[*:1]
CCC(=O)c1ccc(OC(=O)C2CCOCC2)cc1 CCC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])C1CCOCC1
CSc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 CSc1ccccc1[*:1] C[C@@H](c1ccccc1)N1C[C@H](CC1=O)C(=O)N(C)CC(=O)N[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 c1ccc(cc1)[*:1] CSc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(C1)[C@@H](C)[*:1]
CSc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 C[C@@H](c1ccccc1)[*:1] CSc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@@](O)(CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccsc1 c1cc(cs1)[*:1] C[C@@](O)(CNC(=O)N[C@@H]1CC(=O)N(C1)C1CC1)[*:1]
C[C@@](O)(CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccsc1 C1CC1[*:1] C[C@@](O)(CNC(=O)N[C@@H]1CC(=O)N(C1)[*:1])c1ccsc1
O=C(c1cccnc1)N1CCC[C@@H]1c1cc2cccnc2[nH]1 c1cncc(c1)[*:1] O=C(N1CCC[C@@H]1c1cc2cccnc2[nH]1)[*:1]
O=[N+]([O-])c1cccc(/C=N/NC2N=NN=N2)c1 O=[N+]([O-])[*:1] C(=N/NC1N=NN=N1)\c1cccc(c1)[*:1]
Cn1cc(C(=O)N[C@@H](c2ccccc2)c2cccs2)c2ccccc21 c1csc(c1)[*:1] Cn1cc(C(=O)N[C@@H](c2ccccc2)[*:1])c2ccccc21
Cn1cc(C(=O)N[C@@H](c2ccccc2)c2cccs2)c2ccccc21 c1ccc(cc1)[*:1] Cn1cc(C(=O)N[C@@H](c2cccs2)[*:1])c2ccccc21
CCCN(C[C@H]1CCCCO1)C(=O)c1cc(F)ccc1F C1CC[C@@H](OC1)[*:1] CCCN(C[*:1])C(=O)c1cc(F)ccc1F
CCCN(C[C@H]1CCCCO1)C(=O)c1cc(F)ccc1F C1CC[C@H](C[*:1])OC1 CCCN(C(=O)c1cc(F)ccc1F)[*:1]
CCCN(C[C@H]1CCCCO1)C(=O)c1cc(F)ccc1F CCC[*:1] O=C(c1cc(F)ccc1F)N(C[C@H]1CCCCO1)[*:1]
C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1N(C)C CN(C)[*:1] C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1[*:1]
Cc1ccccc1OCCCC(=O)NCc1ccccc1 Cc1ccccc1[*:1] O=C(CCCO[*:1])NCc1ccccc1
Cc1ccccc1OCCCC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1OCCCC(=O)NC[*:1]
Cc1ccccc1OCCCC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccccc1OCCCC(=O)N[*:1]
O=C(C(c1ccccc1)c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 c1ccc(cc1)[*:1] O=C(C(c1ccccc1)[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1cccs1
O=C(C(c1ccccc1)c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 c1csc(c1)[*:1] O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
CO[C@H](C(=O)N1CCC(Nc2cccnn2)CC1)c1ccccc1 c1cnnc(c1)N[*:1] CO[C@H](C(=O)N1CCC(CC1)[*:1])c1ccccc1
CO[C@H](C(=O)N1CCC(Nc2cccnn2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)N1CCC(CC1)Nc1cccnn1)[*:1]
CO[C@H](C(=O)N1CCC(Nc2cccnn2)CC1)c1ccccc1 c1cnnc(c1)[*:1] CO[C@H](C(=O)N1CCC(CC1)N[*:1])c1ccccc1
O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1
O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N1C[*:1]
O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1 c1ccc(cc1)CC[*:1] O=C(N[*:1])[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1
O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N1[*:1]
O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1
COC(=O)Nc1cccc(OCC(=O)N2CCCCC2)c1 COC(=O)N[*:1] O=C(COc1cccc(c1)[*:1])N1CCCCC1
C[S@@](=O)c1ccc(C(=O)Oc2cccc(Cl)c2)cc1 C[S@@](=O)[*:1] O=C(Oc1cccc(Cl)c1)c1ccc(cc1)[*:1]
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1 CC(=O)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1])N1CCN(CC1)c1ccccc1
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1 CC(=O)c1cccc(c1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
CCOC(=O)c1cccc(N[C@@H](C)[C@H]2CCCO2)n1 C1CO[C@H](C1)[*:1] CCOC(=O)c1cccc(n1)N[C@@H](C)[*:1]
CCOC(=O)c1cccc(N[C@@H](C)[C@H]2CCCO2)n1 CCOC(=O)[*:1] C[C@H](Nc1cccc(n1)[*:1])[C@H]1CCCO1
Cc1nc(-c2c[nH]c(C(=O)N[C@H](C)[C@@H]3CCCO3)c2)cs1 Cc1nc(cs1)[*:1] C[C@@H](NC(=O)c1cc(c[nH]1)[*:1])[C@@H]1CCCO1
Cc1nc(-c2c[nH]c(C(=O)N[C@H](C)[C@@H]3CCCO3)c2)cs1 C1CO[C@@H](C1)[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N[C@H](C)[*:1]
CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@@H](C)Cn3cncn3)nn2c1O c1ncn(n1)[*:1] CCc1c(C)nc2cc(nn2c1O)[C@H]1CCCN1C(=O)[C@@H](C)C[*:1]
CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@@H](C)Cn3cncn3)nn2c1O C[C@@H](Cn1cncn1)[*:1] CCc1c(C)nc2cc(nn2c1O)[C@H]1CCCN1C(=O)[*:1]
CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@@H](C)Cn3cncn3)nn2c1O c1ncn(C[*:1])n1 CCc1c(C)nc2cc(nn2c1O)[C@H]1CCCN1C(=O)[C@@H](C)[*:1]
CC[C@@H](C)N(C(=O)COc1ccc(Br)cc1C=O)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC[C@@H](C)N(C(=O)COc1ccc(Br)cc1C=O)[*:1]
CC[C@@H](C)N(C(=O)COc1ccc(Br)cc1C=O)[C@@H]1CCS(=O)(=O)C1 CC[C@@H](C)[*:1] O=Cc1cc(Br)ccc1OCC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCN(Cc1cccc(C)n1)C(=O)[C@H]([NH3+])CC(N)=O NC(=O)C[*:1] CCN(Cc1cccc(C)n1)C(=O)[C@H]([NH3+])[*:1]
CCN(Cc1cccc(C)n1)C(=O)[C@H]([NH3+])CC(N)=O NC(=O)[*:1] CCN(Cc1cccc(C)n1)C(=O)[C@H]([NH3+])C[*:1]
CC[C@H](NC(=O)c1ccc(-c2ccccc2F)s1)c1nc(C)n[nH]1 Fc1ccccc1[*:1] CC[C@H](NC(=O)c1ccc(s1)[*:1])c1nc(C)n[nH]1
CC[C@H](NC(=O)c1ccc(-c2ccccc2F)s1)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@H](NC(=O)c1ccc(s1)-c1ccccc1F)[*:1]
O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 c1csc(c1)[*:1] O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CC[*:1])C1
O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 c1csc(c1)CC[*:1] O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CCC(=O)N2[*:1])C1
O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 c1csc(c1)C[*:1] O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CCC(=O)N2C[*:1])C1
O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 c1cncc(c1)[*:1] O=C1CC[C@H]2CN(CC[C@H]2N1CCc1cccs1)C(=O)[*:1]
CCNC1(C#N)CCC(C)CC1 CCN[*:1] CC1CCC(C#N)(CC1)[*:1]
Cc1nn(C)c(C)c1C[NH2+]C[C@@H](CC(C)C)[NH+]1CCCC1 CC(C)C[*:1] Cc1nn(C)c(C)c1C[NH2+]C[C@@H]([NH+]1CCCC1)[*:1]
Cc1nn(C)c(C)c1C[NH2+]C[C@@H](CC(C)C)[NH+]1CCCC1 CC(C)[*:1] Cc1nn(C)c(C)c1C[NH2+]C[C@@H](C[*:1])[NH+]1CCCC1
COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)c2cnccn2)CC1 COc1ccccc1C[*:1] Cn1cc(C(=O)N[*:1])c(CC2CCN(CC2)C(=O)c2cnccn2)n1
COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)c2cnccn2)CC1 c1cnc(cn1)[*:1] COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(CC1)C(=O)[*:1]
COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)c2cnccn2)CC1 COc1ccccc1[*:1] Cn1cc(C(=O)NC[*:1])c(CC2CCN(CC2)C(=O)c2cnccn2)n1
Cc1cc(O)c(C(c2cccc(F)c2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C Fc1cccc(c1)[*:1] Cc1cc(O)c(c(=O)n1C)C(c1c(O)cc(C)n(C)c1=O)[*:1]
COCCCOC(=O)c1cccc(C2OCCO2)c1 COCC[*:1] O=C(OC[*:1])c1cccc(c1)C1OCCO1
COCCCOC(=O)c1cccc(C2OCCO2)c1 COC[*:1] O=C(OCC[*:1])c1cccc(c1)C1OCCO1
COCCCOC(=O)c1cccc(C2OCCO2)c1 COCCC[*:1] O=C(O[*:1])c1cccc(c1)C1OCCO1
COCCCOC(=O)c1cccc(C2OCCO2)c1 C1COC(O1)[*:1] COCCCOC(=O)c1cccc(c1)[*:1]
N#C/C(=C/c1ccco1)c1nc([O-])c2ccccc2n1 c1coc(c1)[*:1] N#CC(=C[*:1])c1nc([O-])c2ccccc2n1
Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)c1 Cc1ccc(C)c(c1)[*:1] O=C(c1ccco1)N1CCc2ccc(cc2C1)NC(=O)[*:1]
Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)c1 c1coc(c1)[*:1] Cc1ccc(C)c(c1)C(=O)Nc1ccc2CCN(Cc2c1)C(=O)[*:1]
O[C@H]1[C@H]([NH2+]Cc2noc(-c3ccco3)n2)c2ccccc2C12CC[NH2+]CC2 c1coc(c1)[*:1] O[C@H]1[C@H]([NH2+]Cc2noc(n2)[*:1])c2ccccc2C12CC[NH2+]CC2
COc1ccc(Cn2c(=O)cc(N)n(-c3ccccc3C)c2=O)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)Cn1c(=O)cc(N)n(c1=O)[*:1]
COc1ccc(Cn2c(=O)cc(N)n(-c3ccccc3C)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1-n1c(N)cc(=O)n(C[*:1])c1=O
CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)N(Cc1ccc(cc1)C(=O)NC[*:1])c1ccccc1
CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1 c1ccc(cc1)C[*:1] CS(=O)(=O)N(Cc1ccc(cc1)C(=O)N[*:1])c1ccccc1
CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)N(Cc1ccc(cc1)C(=O)NCc1ccccc1)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N/N=C/c1ccccc1Br Brc1ccccc1[*:1] O=[N+]([O-])c1cc(ccc1NN=C[*:1])S(=O)(=O)N1CCOCC1
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N/N=C/c1ccccc1Br O=S(=O)(N1CCOCC1)[*:1] O=[N+]([O-])c1cc(ccc1N/N=C/c1ccccc1Br)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N/N=C/c1ccccc1Br O=[N+]([O-])[*:1] O=S(=O)(c1ccc(N/N=C/c2ccccc2Br)c(c1)[*:1])N1CCOCC1
COc1c(C)cnc(CNC(=O)N(C)C[C@H](C)O)c1C C[C@H](O)[*:1] COc1c(C)cnc(CNC(=O)N(C)C[*:1])c1C
COc1c(C)cnc(CNC(=O)N(C)C[C@H](C)O)c1C C[C@H](O)C[*:1] COc1c(C)cnc(CNC(=O)N(C)[*:1])c1C
Cc1cccc(N(Cc2ccccc2)C(=O)CCCn2ccnn2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)N(C(=O)CCCn1ccnn1)[*:1]
Cc1cccc(N(Cc2ccccc2)C(=O)CCCn2ccnn2)c1 c1cn(nn1)[*:1] Cc1cccc(c1)N(Cc1ccccc1)C(=O)CCC[*:1]
Cc1cccc(N(Cc2ccccc2)C(=O)CCCn2ccnn2)c1 c1cn(CC[*:1])nn1 Cc1cccc(c1)N(Cc1ccccc1)C(=O)C[*:1]
Cc1cccc(N(Cc2ccccc2)C(=O)CCCn2ccnn2)c1 c1cn(C[*:1])nn1 Cc1cccc(c1)N(Cc1ccccc1)C(=O)CC[*:1]
Cc1cccc(N(Cc2ccccc2)C(=O)CCCn2ccnn2)c1 Cc1cccc(c1)[*:1] O=C(CCCn1ccnn1)N(Cc1ccccc1)[*:1]
Cc1cccc(N(Cc2ccccc2)C(=O)CCCn2ccnn2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N(C[*:1])C(=O)CCCn1ccnn1
Cc1cccc(N(Cc2ccccc2)C(=O)CCCn2ccnn2)c1 c1cn(CCC[*:1])nn1 Cc1cccc(c1)N(Cc1ccccc1)C(=O)[*:1]
CN(Cc1cccnc1)C(=O)CCc1cccs1 c1csc(c1)C[*:1] CN(Cc1cccnc1)C(=O)C[*:1]
CN(Cc1cccnc1)C(=O)CCc1cccs1 c1cncc(c1)[*:1] CN(C[*:1])C(=O)CCc1cccs1
CN(Cc1cccnc1)C(=O)CCc1cccs1 c1csc(c1)[*:1] CN(Cc1cccnc1)C(=O)CC[*:1]
CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C CCC(=O)N[*:1] Cc1c(cccc1[*:1])NS(=O)(=O)c1ccc(cc1)C(F)(F)F
CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C FC(F)(F)[*:1] CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(cc2)[*:1])c1C
Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)cn3)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ncc1Br)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)cn3)CC2=O)cc1 Cc1cc(ncc1Br)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)Nc1c(F)cccc1F C1CCC(C1)[*:1] O=C(NCc1cc(-c2ccncc2)n(n1)[*:1])Nc1c(F)cccc1F
O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(NCc1cc(-c2ccncc2)n(n1)C1CCCC1)N[*:1]
O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)Nc1c(F)cccc1F c1cc(ccn1)[*:1] O=C(NCc1cc(n(n1)C1CCCC1)[*:1])Nc1c(F)cccc1F
O=C(Cn1c([C@@H]2CC(=O)N(C3CC3)C2)nc2ccccc21)N(Cc1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1C1CC1)c1nc2ccccc2n1CC(=O)N(C[*:1])C1CCCCC1
O=C(Cn1c([C@@H]2CC(=O)N(C3CC3)C2)nc2ccccc21)N(Cc1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] O=C1C[C@H](CN1C1CC1)c1nc2ccccc2n1CC(=O)N(Cc1ccccc1)[*:1]
O=C(Cn1c([C@@H]2CC(=O)N(C3CC3)C2)nc2ccccc21)N(Cc1ccccc1)C1CCCCC1 C1CC1[*:1] O=C(Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1])N(Cc1ccccc1)C1CCCCC1
O=C(Cn1c([C@@H]2CC(=O)N(C3CC3)C2)nc2ccccc21)N(Cc1ccccc1)C1CCCCC1 c1ccc(cc1)C[*:1] O=C1C[C@H](CN1C1CC1)c1nc2ccccc2n1CC(=O)N(C1CCCCC1)[*:1]
COC(=O)c1cc(-c2csc(NC(=O)C3=CCCCO3)n2)c[nH]1 COC(=O)[*:1] O=C(Nc1nc(cs1)-c1c[nH]c(c1)[*:1])C1=CCCCO1
Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)cc1 O=[N+]([O-])c1ccc(cc1)C[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)N[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)[N+](=O)[O-])[C@H]1CC(=O)N([C@@H]1c1cccs1)[*:1]
Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)NCc2ccc(cc2)[N+](=O)[O-])[C@@H]1[*:1]
Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)NC[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2c2cccs2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)NCc2ccc(cc2)[*:1])[C@H]1c1cccs1
CC1(C)Cc2[nH]nc(-c3ccccc3)c2[C@H](Cl)C1 c1ccc(cc1)[*:1] CC1(C)Cc2[nH]nc(c2[C@H](Cl)C1)[*:1]
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@@H]1c1ccccc1OC CCOC(=O)[*:1] COc1ccccc1[C@H]1NC(=NC(=O)[C@H]1[*:1])N1CCN(CC1)C(=O)c1ccco1
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@@H]1c1ccccc1OC COc1ccccc1[*:1] CCOC(=O)[C@@H]1C(=O)N=C(N[C@H]1[*:1])N1CCN(CC1)C(=O)c1ccco1
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@@H]1c1ccccc1OC c1coc(c1)[*:1] CCOC(=O)[C@@H]1C(=O)N=C(N[C@@H]1c1ccccc1OC)N1CCN(CC1)C(=O)[*:1]
Cc1cc2c(cc1S(=O)(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)n(C)c(=O)n2C c1ccc(cc1)[*:1] Cc1cc2c(cc1S(=O)(=O)Nc1c(C)n(C)n(c1=O)[*:1])n(C)c(=O)n2C
C[NH+](CCO)C(c1ccccc1)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](CCO)C(c1ccccc1)(c1ccccc1)[*:1]
O=C(NCC(=O)N1CCc2ccccc21)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] O=C(NCC(=O)N1CCc2ccccc21)N[*:1]
C#CCN(Cc1ccc(F)cc1)Cc1ccccc1N1CCN(C(C)=O)CC1 C#CC[*:1] CC(=O)N1CCN(CC1)c1ccccc1CN(Cc1ccc(F)cc1)[*:1]
C#CCN(Cc1ccc(F)cc1)Cc1ccccc1N1CCN(C(C)=O)CC1 Fc1ccc(cc1)C[*:1] C#CCN(Cc1ccccc1N1CCN(CC1)C(C)=O)[*:1]
C#CCN(Cc1ccc(F)cc1)Cc1ccccc1N1CCN(C(C)=O)CC1 Fc1ccc(cc1)[*:1] C#CCN(Cc1ccccc1N1CCN(CC1)C(C)=O)C[*:1]
C#CCN(Cc1ccc(F)cc1)Cc1ccccc1N1CCN(C(C)=O)CC1 CC(=O)N1CCN(CC1)[*:1] C#CCN(Cc1ccc(F)cc1)Cc1ccccc1[*:1]
C[C@@H]1C[C@H]1N1CCC(=O)CC1=O C[C@@H]1C[C@@H]1[*:1] O=C1CCN(C(=O)C1)[*:1]
COC(=O)c1cccc(OC(=O)Cc2csc(-c3ccc(C)o3)n2)c1 Cc1ccc(o1)[*:1] COC(=O)c1cccc(c1)OC(=O)Cc1csc(n1)[*:1]
COC(=O)c1cccc(OC(=O)Cc2csc(-c3ccc(C)o3)n2)c1 COC(=O)[*:1] Cc1ccc(o1)-c1nc(cs1)CC(=O)Oc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1 CC(=O)[*:1] CC(C)c1ccc2nc(SCC(=O)Nc3cccc(c3)[*:1])c(C#N)cc2c1
CC(=O)c1cccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1 CC(=O)c1cccc(c1)[*:1] CC(C)c1ccc2nc(SCC(=O)N[*:1])c(C#N)cc2c1
CC(=O)c1cccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1 CC(C)[*:1] CC(=O)c1cccc(c1)NC(=O)CSc1nc2ccc(cc2cc1C#N)[*:1]
NC(=O)c1cccc(OC(=O)C2(c3ccc(F)cc3)CCCC2)c1 NC(=O)[*:1] O=C(Oc1cccc(c1)[*:1])C1(CCCC1)c1ccc(F)cc1
NC(=O)c1cccc(OC(=O)C2(c3ccc(F)cc3)CCCC2)c1 Fc1ccc(cc1)[*:1] NC(=O)c1cccc(c1)OC(=O)C1(CCCC1)[*:1]
CCN(C(=O)CCOC1CCOCC1)[C@@H](C)c1ccc(F)cc1 C1CC(CCO1)O[*:1] CCN(C(=O)CC[*:1])[C@@H](C)c1ccc(F)cc1
CCN(C(=O)CCOC1CCOCC1)[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)CCOC1CCOCC1)[C@@H](C)[*:1]
CCN(C(=O)CCOC1CCOCC1)[C@@H](C)c1ccc(F)cc1 C1CC(CCO1)[*:1] CCN(C(=O)CCO[*:1])[C@@H](C)c1ccc(F)cc1
CC(C)OCCOC(=O)c1cc2ccccc2c(Cl)n1 CC(C)[*:1] O=C(OCCO[*:1])c1cc2ccccc2c(Cl)n1
CC(C)OCCOC(=O)c1cc2ccccc2c(Cl)n1 CC(C)OC[*:1] O=C(OC[*:1])c1cc2ccccc2c(Cl)n1
CC(C)OCCOC(=O)c1cc2ccccc2c(Cl)n1 CC(C)OCC[*:1] O=C(O[*:1])c1cc2ccccc2c(Cl)n1
CC(C)OCCOC(=O)c1cc2ccccc2c(Cl)n1 CC(C)O[*:1] O=C(OCC[*:1])c1cc2ccccc2c(Cl)n1
CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc(C3=c4ccccc4=[NH+]C3)cs2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CNC(=O)[*:1])Nc1nc(cs1)C1C[NH+]=c2ccccc2=1
CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)c3ccccc3-c3ccccc3)C2)nc2ccccc12 CN(C)C(=O)[*:1] O=C(c1ccccc1-c1ccccc1)N1CC[C@H](C1)c1cc(c2ccccc2n1)[*:1]
CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)c3ccccc3-c3ccccc3)C2)nc2ccccc12 c1ccc(cc1)[*:1] CN(C)C(=O)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)c1ccccc1[*:1]
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cccc(C)c1C COC(=O)[*:1] Cc1cccc(C(=O)N[C@H]2CCCCC[C@H]2[*:1])c1C
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1cccc(F)c1 Brc1ccc(cc1)[*:1] N#CC1=C2SCN(CN2C(=O)C[C@@H]1c1cccc(F)c1)[*:1]
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] N#CC1=C2SCN(CN2C(=O)C[C@H]1[*:1])c1ccc(Br)cc1
C[C@@H](C#N)CNC(=O)c1cccc(-c2ccoc2)c1 C[C@@H](C#N)C[*:1] O=C(N[*:1])c1cccc(c1)-c1ccoc1
C[C@@H](C#N)CNC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] C[C@@H](C#N)CNC(=O)c1cccc(c1)[*:1]
C[C@@H](C#N)CNC(=O)c1cccc(-c2ccoc2)c1 C[C@@H](C#N)[*:1] O=C(NC[*:1])c1cccc(c1)-c1ccoc1
COc1ccc(OCc2ccc(/C=N/NC(=O)C(C)(C)C)o2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)OCc1ccc(/C=N/NC(=O)[*:1])o1
COc1ccc(OCc2ccc(/C=N/NC(=O)C(C)(C)C)o2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)C(=O)N/N=C/c1ccc(CO[*:1])o1
O=C(NC[C@H]1CCOC1)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(NC[C@H]1CCOC1)N[C@H]1C=C[C@@H](C1)[*:1]
O=C(NC[C@H]1CCOC1)N[C@H]1C=C[C@@H](C(=O)[O-])C1 C1C[C@@H](CO1)C[*:1] O=C(N[C@H]1C=C[C@H](C1)C(=O)[O-])N[*:1]
O=C(NC[C@H]1CCOC1)N[C@H]1C=C[C@@H](C(=O)[O-])C1 C1C[C@@H](CO1)[*:1] O=C(NC[*:1])N[C@H]1C=C[C@H](C1)C(=O)[O-]
Cc1ccc2c(cnn2CCC(=O)NCCCN2CCOCC2)c1 C1CN(CCO1)CC[*:1] Cc1ccc2c(cnn2CCC(=O)NC[*:1])c1
Cc1ccc2c(cnn2CCC(=O)NCCCN2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1ccc2c(cnn2CCC(=O)NCCC[*:1])c1
Cc1ccc2c(cnn2CCC(=O)NCCCN2CCOCC2)c1 C1CN(CCO1)C[*:1] Cc1ccc2c(cnn2CCC(=O)NCC[*:1])c1
CC(C)C(=O)C[NH+](C)CCc1cccs1 CC(C)[*:1] C[NH+](CCc1cccs1)CC(=O)[*:1]
CC(C)C(=O)C[NH+](C)CCc1cccs1 CC(C)C(=O)[*:1] C[NH+](CCc1cccs1)C[*:1]
CC(C)C(=O)C[NH+](C)CCc1cccs1 c1csc(c1)[*:1] CC(C)C(=O)C[NH+](C)CC[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)CCn1ccccc1=O CC(C)(C)[*:1] C[C@@H]1CN(C(=O)O[*:1])[C@H](C)CN1C(=O)CCn1ccccc1=O
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)CCn1ccccc1=O O=c1ccccn1C[*:1] C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)C[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)CCn1ccccc1=O O=c1ccccn1[*:1] C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)CC[*:1]
COc1ccc(C(=O)NCCNC(=O)c2c(C)cc(C)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)NCCNC(=O)[*:1])c(C)c1
COC(=O)c1ccc(/N=C\c2ccc3c(c2)OCO3)cc1 COC(=O)[*:1] C(=N\c1ccc(cc1)[*:1])\c1ccc2OCOc2c1
CCN1CCO[C@@H](CN(CCC[NH3+])c2cccc(C)c2)C1 Cc1cccc(c1)[*:1] CCN1CCO[C@H](C1)CN(CCC[NH3+])[*:1]
Cc1cc(C)nc(SCC(=O)N2CCC[C@H]2c2cccs2)n1 c1csc(c1)[*:1] Cc1cc(C)nc(n1)SCC(=O)N1CCC[C@@H]1[*:1]
N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H](C#N)C2CC2)o1 C1CC1[*:1] N#Cc1ccccc1OCc1ccc(o1)C(=O)O[C@@H](C#N)[*:1]
N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H](C#N)C2CC2)o1 N#Cc1ccccc1[*:1] N#C[C@H](OC(=O)c1ccc(CO[*:1])o1)C1CC1
COc1ccc(-c2onc(C)c2Oc2cnn(-c3ccccc3)c2)c(O)c1 c1ccc(cc1)[*:1] COc1ccc(c(O)c1)-c1onc(C)c1Oc1cnn(c1)[*:1]
COc1ccc(-c2onc(C)c2Oc2cnn(-c3ccccc3)c2)c(O)c1 COc1ccc(c(O)c1)[*:1] Cc1noc(c1Oc1cnn(c1)-c1ccccc1)[*:1]
O=C([O-])/C=C/c1cc(C(=O)Nc2ccc(F)cc2Cl)cs1 O=C([O-])[*:1] O=C(Nc1ccc(F)cc1Cl)c1csc(C=C[*:1])c1
CCN(C[C@H](C)C#N)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C O=C(Nc1ccccc1)[*:1] CCN(C[C@H](C)C#N)C(=O)Nc1cccc(c1C)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C c1ccc(cc1)[*:1] CCN(C[C@H](C)C#N)C(=O)Nc1cccc(C(=O)N[*:1])c1C
COc1ccc([C@H](NCC[NH+](C)C)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](NCC[NH+](C)C)[*:1]
Cc1ccc(CNC(=O)CSc2nnc3n(CC(C)C)c(=O)c4sccc4n23)cc1 Cc1ccc(cc1)C[*:1] CC(C)Cn1c(=O)c2sccc2n2c(nnc12)SCC(=O)N[*:1]
Cc1ccc(CNC(=O)CSc2nnc3n(CC(C)C)c(=O)c4sccc4n23)cc1 Cc1ccc(cc1)[*:1] CC(C)Cn1c(=O)c2sccc2n2c(nnc12)SCC(=O)NC[*:1]
Cc1ccc(CNC(=O)CSc2nnc3n(CC(C)C)c(=O)c4sccc4n23)cc1 CC(C)C[*:1] Cc1ccc(cc1)CNC(=O)CSc1nnc2n(c(=O)c3sccc3n12)[*:1]
Cc1ccc(CNC(=O)CSc2nnc3n(CC(C)C)c(=O)c4sccc4n23)cc1 CC(C)[*:1] Cc1ccc(cc1)CNC(=O)CSc1nnc2n(C[*:1])c(=O)c3sccc3n12
Cc1noc([C@@H]2CCCN(Cc3ccsc3)C2)n1 c1cc(cs1)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C[*:1]
Cc1noc([C@@H]2CCCN(Cc3ccsc3)C2)n1 c1cc(cs1)C[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)[*:1]
Cc1noc([C@@H]2CCCN(Cc3ccsc3)C2)n1 Cc1noc(n1)[*:1] c1cc(cs1)CN1CCC[C@H](C1)[*:1]
C[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])Cn1cc[nH+]c1 O=[N+]([O-])[*:1] C[C@H](CNC(=O)c1cc(F)ccc1[*:1])Cn1cc[nH+]c1
C=CCN1C[C@@H](c2nc3ccccc3n2C[C@@H](O)c2ccccc2)CC1=O O[C@@H](c1ccccc1)[*:1] C=CCN1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
C=CCN1C[C@@H](c2nc3ccccc3n2C[C@@H](O)c2ccccc2)CC1=O O[C@H](C[*:1])c1ccccc1 C=CCN1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
C=CCN1C[C@@H](c2nc3ccccc3n2C[C@@H](O)c2ccccc2)CC1=O c1ccc(cc1)[*:1] C=CCN1C[C@H](CC1=O)c1nc2ccccc2n1C[C@@H](O)[*:1]
C=CCN1C[C@@H](c2nc3ccccc3n2C[C@@H](O)c2ccccc2)CC1=O C=CC[*:1] O=C1C[C@@H](CN1[*:1])c1nc2ccccc2n1C[C@@H](O)c1ccccc1
Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)C[*:1])c1=O
Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)Cc2ccc(Cl)cc2)c1=O Cc1ccccc1[*:1] O=C(Cc1ccc(Cl)cc1)NCCn1ncc2c(=O)n(cnc21)C[*:1]
Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)Cc2ccc(Cl)cc2)c1=O Cc1ccccc1C[*:1] O=C(Cc1ccc(Cl)cc1)NCCn1ncc2c(=O)n(cnc21)[*:1]
Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)C[*:1] Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)[*:1])c1=O
Cc1ccc(NC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)cc1C Fc1ccccc1[*:1] Cc1ccc(cc1C)NC(=O)Cn1ncc2c(C)n(C[*:1])c(C)c2c1=O
Cc1ccc(NC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)cc1C Fc1ccccc1C[*:1] Cc1ccc(cc1C)NC(=O)Cn1ncc2c(C)n(c(C)c2c1=O)[*:1]
Cc1ccc(NC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1c2cnn(CC(=O)N[*:1])c(=O)c2c(C)n1Cc1ccccc1F
CC(C)CC1=[NH+][C@@H](Cc2n[nH]c(-c3cccnc3)n2)N(c2ccccn2)N1 CC(C)[*:1] c1ccc(nc1)N1NC(C[*:1])=[NH+][C@H]1Cc1n[nH]c(n1)-c1cccnc1
CC(C)CC1=[NH+][C@@H](Cc2n[nH]c(-c3cccnc3)n2)N(c2ccccn2)N1 c1ccc(nc1)[*:1] CC(C)CC1NN([C@H](Cc2n[nH]c(n2)-c2cccnc2)[NH+]=1)[*:1]
CC(C)CC1=[NH+][C@@H](Cc2n[nH]c(-c3cccnc3)n2)N(c2ccccn2)N1 c1cncc(c1)[*:1] CC(C)CC1NN(c2ccccn2)[C@H](Cc2n[nH]c(n2)[*:1])[NH+]=1
CC(C)CC1=[NH+][C@@H](Cc2n[nH]c(-c3cccnc3)n2)N(c2ccccn2)N1 CC(C)C[*:1] c1ccc(nc1)N1NC(=[NH+][C@H]1Cc1n[nH]c(n1)-c1cccnc1)[*:1]
CC[C@@H]([NH3+])Cc1cc(F)c(OCCC(C)(C)C#N)c(F)c1 CC(C)(C#N)[*:1] CC[C@@H]([NH3+])Cc1cc(F)c(OCC[*:1])c(F)c1
CC[C@@H]([NH3+])Cc1cc(F)c(OCCC(C)(C)C#N)c(F)c1 CC(C)(C#N)CC[*:1] CC[C@@H]([NH3+])Cc1cc(F)c(O[*:1])c(F)c1
CC[C@@H]([NH3+])Cc1cc(F)c(OCCC(C)(C)C#N)c(F)c1 CC(C)(C#N)C[*:1] CC[C@@H]([NH3+])Cc1cc(F)c(OC[*:1])c(F)c1
Cc1ccccc1[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Cl)[C@H](C)CO1 Cc1ccccc1[*:1] C[C@@H]1CO[C@H](CN1C(=O)c1[nH]nc(c1Cl)C1CC1)[*:1]
Cc1ccccc1[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Cl)[C@H](C)CO1 C1CC1[*:1] Cc1ccccc1[C@H]1CN(C(=O)c2[nH]nc(c2Cl)[*:1])[C@H](C)CO1
CNS(=O)(=O)c1ccc(N2CC[C@H]3CCCC[C@@H]32)nc1 CNS(=O)(=O)[*:1] c1cc(ncc1[*:1])N1CC[C@H]2CCCC[C@@H]21
O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1Cl
O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1Cl
O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 O=C(NCc1ccccc1)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1Cl
CC[C@@H](C)NC(=O)c1cccc(NCC(=O)Nc2cccc(Cl)c2)c1 CC[C@@H](C)[*:1] O=C(CNc1cccc(c1)C(=O)N[*:1])Nc1cccc(Cl)c1
CC[C@@H](C)NC(=O)c1cccc(NCC(=O)Nc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CC[C@@H](C)NC(=O)c1cccc(c1)NCC(=O)N[*:1]
CC[C@@H](C)NC(=O)c1cccc(NCC(=O)Nc2cccc(Cl)c2)c1 CC[C@@H](C)NC(=O)[*:1] O=C(CNc1cccc(c1)[*:1])Nc1cccc(Cl)c1
CCC[C@]1(C)NC(=O)N(CC(=O)N2CCCCCCC2)C1=O CCC[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCCCCCC2)C1=O)[*:1]
COc1ccc(NC(=O)Cc2ccccc2NC(=O)c2nc3c(Cl)cccn3c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(nc2c(Cl)cccn12)C(=O)Nc1ccccc1CC(=O)N[*:1]
CCC[NH+](C)Cc1ccc(C[NH2+]C2CC2)cn1 CCC[*:1] C[NH+](Cc1ccc(cn1)C[NH2+]C1CC1)[*:1]
CCC[NH+](C)Cc1ccc(C[NH2+]C2CC2)cn1 C1CC1[*:1] CCC[NH+](C)Cc1ccc(cn1)C[NH2+][*:1]
CCC[NH+](C)Cc1ccc(C[NH2+]C2CC2)cn1 C1CC1[NH2+]C[*:1] CCC[NH+](C)Cc1ccc(cn1)[*:1]
Cn1cccc1C(=O)N1CCN(CC(N)=O)CC1 Cn1cccc1[*:1] NC(=O)CN1CCN(CC1)C(=O)[*:1]
Cn1cccc1C(=O)N1CCN(CC(N)=O)CC1 NC(=O)C[*:1] Cn1cccc1C(=O)N1CCN(CC1)[*:1]
Cn1cccc1C(=O)N1CCN(CC(N)=O)CC1 NC(=O)[*:1] Cn1cccc1C(=O)N1CCN(CC1)C[*:1]
CCN(Cc1ccccn1)C(=O)c1cnn(C)c1-n1cccc1 c1ccc(C[*:1])nc1 CCN(C(=O)c1cnn(C)c1-n1cccc1)[*:1]
CCN(Cc1ccccn1)C(=O)c1cnn(C)c1-n1cccc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1cnn(C)c1-n1cccc1
CCN(Cc1ccccn1)C(=O)c1cnn(C)c1-n1cccc1 c1ccn(c1)[*:1] CCN(Cc1ccccn1)C(=O)c1cnn(C)c1[*:1]
CC1(C)C[C@@H]([C@H](CCNC(=O)c2ccccc2C(=O)[O-])c2ccccc2)CCO1 O=C([O-])[*:1] CC1(C)C[C@H](CCO1)[C@H](CCNC(=O)c1ccccc1[*:1])c1ccccc1
CC1(C)C[C@@H]([C@H](CCNC(=O)c2ccccc2C(=O)[O-])c2ccccc2)CCO1 O=C([O-])c1ccccc1[*:1] CC1(C)C[C@H](CCO1)[C@H](CCNC(=O)[*:1])c1ccccc1
CC1(C)C[C@@H]([C@H](CCNC(=O)c2ccccc2C(=O)[O-])c2ccccc2)CCO1 c1ccc(cc1)[*:1] CC1(C)C[C@H](CCO1)[C@H](CCNC(=O)c1ccccc1C(=O)[O-])[*:1]
COC(=O)c1ccc(NC(=O)N[C@H]2CCC[C@H](C)C2)cc1 COC(=O)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)Nc1ccc(cc1)[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)NCCCS(C)(=O)=O)c1C CS(=O)(=O)C[*:1] Cc1cccc(c1C)[C@@H]1CCCCN1C(=O)NCC[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)NCCCS(C)(=O)=O)c1C Cc1cccc(c1C)[*:1] CS(=O)(=O)CCCNC(=O)N1CCCC[C@H]1[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)NCCCS(C)(=O)=O)c1C CS(=O)(=O)CCC[*:1] Cc1cccc(c1C)[C@@H]1CCCCN1C(=O)N[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)NCCCS(C)(=O)=O)c1C CS(=O)(=O)CC[*:1] Cc1cccc(c1C)[C@@H]1CCCCN1C(=O)NC[*:1]
Cc1cccc([C@@H]2CCCCN2C(=O)NCCCS(C)(=O)=O)c1C CS(=O)(=O)[*:1] Cc1cccc(c1C)[C@@H]1CCCCN1C(=O)NCCC[*:1]
C=CCNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C=CCNC(=O)C(=O)Nc1ccc(cc1)[*:1]
C=CCNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 C=CC[*:1] O=C(Nc1ccc(cc1)NC(=O)C1CC1)C(=O)N[*:1]
C=CCNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C=CCNC(=O)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCOc1ccccc1NC(=O)NCC1CCN(C(=O)Nc2ccccc2OC)CC1 COc1ccccc1[*:1] CCOc1ccccc1NC(=O)NCC1CCN(CC1)C(=O)N[*:1]
CCOc1ccccc1NC(=O)NCC1CCN(C(=O)Nc2ccccc2OC)CC1 CCOc1ccccc1[*:1] COc1ccccc1NC(=O)N1CCC(CC1)CNC(=O)N[*:1]
CCOc1ccccc1NC(=O)NCC1CCN(C(=O)Nc2ccccc2OC)CC1 CCO[*:1] COc1ccccc1NC(=O)N1CCC(CC1)CNC(=O)Nc1ccccc1[*:1]
CC(=O)Nc1ccc(OC(=O)[C@@H](C)NC(C)=O)cc1 CC(=O)N[*:1] CC(=O)Nc1ccc(cc1)OC(=O)[C@@H](C)[*:1]
CC(=O)Nc1ccc(OC(=O)[C@@H](C)NC(C)=O)cc1 CC(=O)N[*:1] CC(=O)N[C@H](C)C(=O)Oc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(OC(=O)[C@@H](C)NC(C)=O)cc1 CC(=O)N[C@H](C)[*:1] CC(=O)Nc1ccc(cc1)OC(=O)[*:1]
CCCS(=O)(=O)[N-]c1cccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 CCC[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1cccc(c1)[N-]S(=O)(=O)[*:1]
CCOC(=O)c1nn(CCOC)c2c1CN(C(=O)c1cc3ccccc3[nH]1)CC2 COC[*:1] CCOC(=O)c1nn(C[*:1])c2CCN(Cc12)C(=O)c1cc2ccccc2[nH]1
CCOC(=O)c1nn(CCOC)c2c1CN(C(=O)c1cc3ccccc3[nH]1)CC2 c1ccc2[nH]c(cc2c1)[*:1] CCOC(=O)c1nn(CCOC)c2CCN(Cc12)C(=O)[*:1]
CCOC(=O)c1nn(CCOC)c2c1CN(C(=O)c1cc3ccccc3[nH]1)CC2 CCOC(=O)[*:1] COCCn1nc(c2CN(CCc21)C(=O)c1cc2ccccc2[nH]1)[*:1]
CCOC(=O)c1nn(CCOC)c2c1CN(C(=O)c1cc3ccccc3[nH]1)CC2 COCC[*:1] CCOC(=O)c1nn(c2CCN(Cc12)C(=O)c1cc2ccccc2[nH]1)[*:1]
Cc1cccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 Brc1cccc(c1)[*:1] Cc1cccc(c1)N(CC(=O)N[*:1])S(C)(=O)=O
Cc1cccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)[*:1]
CCCN1CCO[C@H]([C@H]([NH3+])c2ccc3ccccc3c2)C1 CCC[*:1] [NH3+][C@H](c1ccc2ccccc2c1)[C@@H]1CN(CCO1)[*:1]
CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2cccc(F)c2)NC(=O)N1C1CC1 Cc1cc(no1)NC(=O)[*:1] CC1=C([C@H](NC(=O)N1C1CC1)c1cccc(F)c1)[*:1]
CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2cccc(F)c2)NC(=O)N1C1CC1 C1CC1[*:1] CC1=C(C(=O)Nc2cc(C)on2)[C@H](NC(=O)N1[*:1])c1cccc(F)c1
CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2cccc(F)c2)NC(=O)N1C1CC1 Fc1cccc(c1)[*:1] CC1=C(C(=O)Nc2cc(C)on2)[C@@H](NC(=O)N1C1CC1)[*:1]
CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2cccc(F)c2)NC(=O)N1C1CC1 Cc1cc(no1)[*:1] CC1=C(C(=O)N[*:1])[C@H](NC(=O)N1C1CC1)c1cccc(F)c1
CCc1cnc(CNC(=O)N[C@@H](C)c2cc(C)oc2C)s1 CCc1cnc(s1)[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)NC[*:1]
CCc1cnc(CNC(=O)N[C@@H](C)c2cc(C)oc2C)s1 Cc1cc(c(C)o1)[*:1] CCc1cnc(CNC(=O)N[C@@H](C)[*:1])s1
Cc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CO[C@H](C(C)C)C4)cc1 Cc1ccc(cc1)[*:1] Cc1nnc2n(c(=O)c3c4C[C@H](OCc4sc3n12)C(C)C)[*:1]
Cc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CO[C@H](C(C)C)C4)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1c(=O)c2c3C[C@@H](OCc3sc2n2c(C)nnc12)[*:1]
COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2F)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2F)cc1OC COc1ccc(cc1OC)C[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2F)N1C[*:1]
COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2F)cc1OC COc1ccc(cc1OC)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2F)N1CC[*:1]
Cc1cc2oc(=O)cc(CSc3ccccn3)c2cc1Cl c1ccc(nc1)[*:1] Cc1cc2oc(=O)cc(CS[*:1])c2cc1Cl
Cc1cc2oc(=O)cc(CSc3ccccn3)c2cc1Cl c1ccc(nc1)S[*:1] Cc1cc2oc(=O)cc(C[*:1])c2cc1Cl
Cc1ccc(C(=O)NCc2cc(O)nc(N3CCOCC3)n2)c(=O)n1C C1CN(CCO1)[*:1] Cc1ccc(C(=O)NCc2cc(O)nc(n2)[*:1])c(=O)n1C
CC[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)CO2 CC[C@@H](C)[*:1] O=C1COc2ccc(cc2N1)NC(=O)[*:1]
O=C(NC(C1CC1)C1CC1)C1CCN(C(=O)OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(NC(C1CC1)C1CC1)C1CCN(CC1)C(=O)O[*:1]
O=C(NC(C1CC1)C1CC1)C1CCN(C(=O)OCc2ccccc2)CC1 C1CC1[*:1] O=C(NC(C1CC1)[*:1])C1CCN(CC1)C(=O)OCc1ccccc1
O=C(NC(C1CC1)C1CC1)C1CCN(C(=O)OCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NC(C1CC1)C1CC1)C1CCN(CC1)C(=O)OC[*:1]
O=C(NC(C1CC1)C1CC1)C1CCN(C(=O)OCc2ccccc2)CC1 C1CC1C(C1CC1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)OCc1ccccc1
Cc1nn(C)cc1[C@H](C)NC(=O)N[C@H](c1ccccc1)C(C)C c1ccc(cc1)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N[C@H](C(C)C)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N[C@H](c1ccccc1)C(C)C CC(C)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N[C@H](c1ccccc1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N[C@H](c1ccccc1)C(C)C Cc1nn(C)cc1[*:1] CC(C)[C@H](NC(=O)N[C@@H](C)[*:1])c1ccccc1
CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@H](NS(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)[*:1]
CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(N)=O FC(F)(F)[*:1] CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(c1)[*:1])C(N)=O
CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)[*:1]
CC(C)c1ccc(OCC(=O)NCc2cc(-c3ccc4c(c3)OCCO4)on2)cc1 CC(C)c1ccc(cc1)O[*:1] O=C(C[*:1])NCc1cc(on1)-c1ccc2OCCOc2c1
CC(C)c1ccc(OCC(=O)NCc2cc(-c3ccc4c(c3)OCCO4)on2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(CO[*:1])NCc1cc(on1)-c1ccc2OCCOc2c1
CC(C)c1ccc(OCC(=O)NCc2cc(-c3ccc4c(c3)OCCO4)on2)cc1 c1cc2OCCOc2cc1[*:1] CC(C)c1ccc(cc1)OCC(=O)NCc1cc(on1)[*:1]
CC(C)c1ccc(OCC(=O)NCc2cc(-c3ccc4c(c3)OCCO4)on2)cc1 CC(C)[*:1] O=C(COc1ccc(cc1)[*:1])NCc1cc(on1)-c1ccc2OCCOc2c1
C[C@H](C[NH2+]Cc1cccs1)Oc1ccccc1 c1csc(c1)[*:1] C[C@H](C[NH2+]C[*:1])Oc1ccccc1
CN(CCCS(C)(=O)=O)C(=O)CSc1ccc2ccccc2c1 CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)CSc1ccc2ccccc2c1
CN(CCCS(C)(=O)=O)C(=O)CSc1ccc2ccccc2c1 CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)CSc1ccc2ccccc2c1
CN(CCCS(C)(=O)=O)C(=O)CSc1ccc2ccccc2c1 CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)CSc1ccc2ccccc2c1
CN(CCCS(C)(=O)=O)C(=O)CSc1ccc2ccccc2c1 CS(=O)(=O)CCC[*:1] CN(C(=O)CSc1ccc2ccccc2c1)[*:1]
CCOc1oc(-c2ccccc2SC)nc1C(=O)[O-] O=C([O-])[*:1] CCOc1oc(nc1[*:1])-c1ccccc1SC
CCOc1oc(-c2ccccc2SC)nc1C(=O)[O-] CCO[*:1] CSc1ccccc1-c1nc(C(=O)[O-])c(o1)[*:1]
Cc1c(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)cccc1N1CCOCC1 Fc1ccc(cc1)[*:1] Cc1c(cccc1N1CCOCC1)C(=O)NCCS(=O)(=O)[*:1]
Cc1c(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)cccc1N1CCOCC1 C1CN(CCO1)[*:1] Cc1c(cccc1[*:1])C(=O)NCCS(=O)(=O)c1ccc(F)cc1
CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)Nc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)N[*:1]
CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)Nc1ccc(C#N)cc1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccccc1C(=O)Nc1ccc(C#N)cc1
CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)Nc1ccc(C#N)cc1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccccc1C(=O)Nc1ccc(C#N)cc1)[*:1]
CCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)N2CCN(C(C)=O)CC2)cc1 Fc1ccc(cc1)C[*:1] CCC(=O)N(c1ccc(cc1)CC(=O)N1CCN(CC1)C(C)=O)[*:1]
CCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)N2CCN(C(C)=O)CC2)cc1 Fc1ccc(cc1)[*:1] CCC(=O)N(C[*:1])c1ccc(cc1)CC(=O)N1CCN(CC1)C(C)=O
CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([O-])c([N+](=O)[O-])c2)N3)C1 CC(C)(C)[*:1] O=C1N[C@@H](Nc2sc3C[C@H](CCc3c21)[*:1])c1ccc([O-])c(c1)[N+](=O)[O-]
CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([O-])c([N+](=O)[O-])c2)N3)C1 O=[N+]([O-])[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc1N[C@H](NC(=O)c12)c1ccc([O-])c(c1)[*:1]
Cc1nc(CNC(=O)CCC(F)(F)F)sc1C FC(F)(F)C[*:1] Cc1nc(CNC(=O)C[*:1])sc1C
Cc1nc(CNC(=O)CCC(F)(F)F)sc1C FC(F)(F)[*:1] Cc1nc(CNC(=O)CC[*:1])sc1C
C[C@H](c1cccs1)N(C)C(=O)NCc1ccc[nH+]c1N(C)C c1csc(c1)[*:1] C[C@H](N(C)C(=O)NCc1ccc[nH+]c1N(C)C)[*:1]
C[C@H](c1cccs1)N(C)C(=O)NCc1ccc[nH+]c1N(C)C CN(C)[*:1] C[C@H](c1cccs1)N(C)C(=O)NCc1ccc[nH+]c1[*:1]
C[C@H](c1cccs1)N(C)C(=O)NCc1ccc[nH+]c1N(C)C C[C@H](c1cccs1)[*:1] CN(C)c1[nH+]cccc1CNC(=O)N(C)[*:1]
CO[C@H](C)c1cccc(NC(=O)NNc2cnccn2)c1 CO[C@H](C)[*:1] O=C(NNc1cnccn1)Nc1cccc(c1)[*:1]
CO[C@H](C)c1cccc(NC(=O)NNc2cnccn2)c1 c1cnc(cn1)[*:1] CO[C@H](C)c1cccc(c1)NC(=O)NN[*:1]
Cc1ccc(CNC(=O)c2ccc(C(N)=O)cn2)c(N(C)C)c1 NC(=O)[*:1] Cc1ccc(CNC(=O)c2ccc(cn2)[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)c2ccc(C(N)=O)cn2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)c2ccc(cn2)C(N)=O)c(c1)[*:1]
O=C(NCc1cccn1Cc1cccc(F)c1)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCc1cccn1Cc1cccc(F)c1)Nc1ccccc1[*:1]
O=C(NCc1cccn1Cc1cccc(F)c1)Nc1ccccc1C(F)(F)F Fc1cccc(c1)[*:1] O=C(NCc1cccn1C[*:1])Nc1ccccc1C(F)(F)F
O=C(NCc1cccn1Cc1cccc(F)c1)Nc1ccccc1C(F)(F)F Fc1cccc(c1)C[*:1] O=C(NCc1cccn1[*:1])Nc1ccccc1C(F)(F)F
CCOc1ccc(-c2nc(CSC3=NCCS3)cs2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])-c1nc(cs1)CSC1=NCCS1
CC(C)c1cc([C@H]2CCCN2C(=O)c2cccs2)on1 c1csc(c1)[*:1] CC(C)c1cc(on1)[C@H]1CCCN1C(=O)[*:1]
CC(C)c1cc([C@H]2CCCN2C(=O)c2cccs2)on1 CC(C)[*:1] O=C(c1cccs1)N1CCC[C@@H]1c1cc(no1)[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)C(=O)O[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 CC(C)NS(=O)(=O)[*:1] N#Cc1ccc(cc1)OC(=O)c1ccc(cc1)[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 CC(C)[*:1] N#Cc1ccc(cc1)OC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1cnc(C)c(N2CCC(c3nnc(Cn4cc[nH+]c4C)n3C)CC2)n1 Cc1cnc(C)c(n1)[*:1] Cc1[nH+]ccn1Cc1nnc(C2CCN(CC2)[*:1])n1C
CCOCC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CCOC[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)NC(=O)[*:1]
CCOCC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCOCC(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
CCOCC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CCO[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)NC(=O)C[*:1]
CC(=O)N1CCC(NC(=O)Cn2cc(-c3ccccc3)cn2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)NC(=O)Cn1cc(cn1)[*:1]
COC(=O)[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)[C@@H](NC(=O)c1ccc(=O)n(C)c1)[*:1]
COC(=O)[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1ccc(F)cc1F Cn1cc(ccc1=O)[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(F)cc1F
COC(=O)[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1ccc(F)cc1F COC(=O)[*:1] Cn1cc(ccc1=O)C(=O)N[C@@H](c1ccc(F)cc1F)[*:1]
O=C(OCc1nc(C2CC2)cs1)c1ccn(-c2ccccc2F)n1 C1CC1[*:1] O=C(OCc1nc(cs1)[*:1])c1ccn(n1)-c1ccccc1F
O=C(OCc1nc(C2CC2)cs1)c1ccn(-c2ccccc2F)n1 c1sc(nc1C1CC1)[*:1] O=C(OC[*:1])c1ccn(n1)-c1ccccc1F
O=C(OCc1nc(C2CC2)cs1)c1ccn(-c2ccccc2F)n1 Fc1ccccc1[*:1] O=C(OCc1nc(cs1)C1CC1)c1ccn(n1)[*:1]
COc1ccccc1NC(=O)C[S@](=O)Cc1cccc2ccccc12 COc1ccccc1[*:1] O=C(C[S@](=O)Cc1cccc2ccccc12)N[*:1]
CCOC(=O)c1cccc(N/C=C(\C#N)c2nc3ccccc3[nH]2)c1 CCOC(=O)[*:1] N#C/C(=C\Nc1cccc(c1)[*:1])c1nc2ccccc2[nH]1
O=C1c2ccccc2N[C@H](c2cc(Br)c3c(c2)OCO3)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C1c2ccccc2N[C@H](c2cc(Br)c3OCOc3c2)N1C[*:1]
O=C1c2ccccc2N[C@H](c2cc(Br)c3c(c2)OCO3)N1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C1c2ccccc2N[C@H](c2cc(Br)c3OCOc3c2)N1[*:1]
C#CCN1CCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1 C#CC[*:1] C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] C#CCN1CCN(CC1)C(=O)N[C@@H](C)CC[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1CCO Clc1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1CCO)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1CCO OCC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1[*:1]
CCNC(=O)c1cccc(NC(=O)CN2CCO[C@@H](c3ccccc3F)C2)c1 CCNC(=O)[*:1] O=C(CN1CCO[C@H](C1)c1ccccc1F)Nc1cccc(c1)[*:1]
CCNC(=O)c1cccc(NC(=O)CN2CCO[C@@H](c3ccccc3F)C2)c1 Fc1ccccc1[*:1] CCNC(=O)c1cccc(c1)NC(=O)CN1CCO[C@@H](C1)[*:1]
Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)[O-])ccc23)cc1 Cc1ccc(cc1)[*:1] O=C([O-])c1ccc2c(c1)sc1nc(cn12)[*:1]
Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)[O-])ccc23)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1cn2c(n1)sc1cc(ccc12)[*:1]
CN(C(=O)CSc1ccc2c(c1)OCCCO2)C1(C#N)CCCCC1 N#CC1(CCCCC1)[*:1] CN(C(=O)CSc1ccc2OCCCOc2c1)[*:1]
CCc1ccc(-c2nc(=O)n(CC(=O)Nc3ccc(OC)cc3)c3sc(C)nc23)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Cn1c(=O)nc(c2nc(C)sc21)[*:1]
CCc1ccc(-c2nc(=O)n(CC(=O)Nc3ccc(OC)cc3)c3sc(C)nc23)cc1 COc1ccc(cc1)[*:1] CCc1ccc(cc1)-c1nc(=O)n(CC(=O)N[*:1])c2sc(C)nc12
COc1ccccc1-c1cc(C(=O)Nc2n[nH]c(CC(C)C)n2)n[nH]1 CC(C)[*:1] COc1ccccc1-c1cc(n[nH]1)C(=O)Nc1n[nH]c(C[*:1])n1
COc1ccccc1-c1cc(C(=O)Nc2n[nH]c(CC(C)C)n2)n[nH]1 CC(C)C[*:1] COc1ccccc1-c1cc(n[nH]1)C(=O)Nc1n[nH]c(n1)[*:1]
COc1ccccc1-c1cc(C(=O)Nc2n[nH]c(CC(C)C)n2)n[nH]1 COc1ccccc1[*:1] CC(C)Cc1nc(n[nH]1)NC(=O)c1cc([nH]n1)[*:1]
CC[n+]1c(N)n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 O=[N+]([O-])[*:1] CC[n+]1c(N)n(CC(=O)c2ccc(cc2)[*:1])c2ccccc21
O=C(/C=C/c1c(Cl)nc2ccccn12)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(/C=C/c1c(Cl)nc2ccccn12)N[*:1]
CCn1nc(C)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1C CC(=O)[*:1] CCn1nc(C)c(c1C)S(=O)(=O)Nc1cccc(c1)[*:1]
CCOc1ccccc1[C@@H](CC(=O)N1CCC[C@H](OC)C1)NC(C)=O CCO[*:1] CO[C@H]1CCCN(C1)C(=O)C[C@@H](NC(C)=O)c1ccccc1[*:1]
CCOc1ccccc1[C@@H](CC(=O)N1CCC[C@H](OC)C1)NC(C)=O CC(=O)N[*:1] CCOc1ccccc1[C@@H](CC(=O)N1CCC[C@@H](C1)OC)[*:1]
Cc1cn2nc(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)sc2n1 C1C[C@@H](CO1)[*:1] Cc1cn2nc(NC[C@@H](N3CCOCC3)[*:1])sc2n1
Cc1cn2nc(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)sc2n1 C1CN(CCO1)[*:1] Cc1cn2nc(NC[C@@H]([C@H]3CCOC3)[*:1])sc2n1
Cn1c(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)n[nH]c1=S Cn1c(n[nH]c1=S)[*:1] O=C(NC[*:1])[C@@H](c1ccccc1)N1CCSCC1
Cn1c(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)n[nH]c1=S C1CN(CCS1)[*:1] Cn1c(CNC(=O)[C@@H](c2ccccc2)[*:1])n[nH]c1=S
Cn1c(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)n[nH]c1=S Cn1c(C[*:1])n[nH]c1=S O=C(N[*:1])[C@@H](c1ccccc1)N1CCSCC1
Cn1c(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)n[nH]c1=S c1ccc(cc1)[*:1] Cn1c(CNC(=O)[C@@H](N2CCSCC2)[*:1])n[nH]c1=S
COc1ccc(C(=O)NCCC(=O)N2CCC3(CC2)NCCc2[nH]c[nH+]c23)cc1 COc1ccc(cc1)[*:1] O=C(CCNC(=O)[*:1])N1CCC2(CC1)NCCc1[nH]c[nH+]c12
O=C(NCc1ccsc1)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 c1cc(cs1)[*:1] O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)NC[*:1]
O=C(NCc1ccsc1)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 c1cc(cs1)C[*:1] O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)N[*:1]
O=C(NCc1ccsc1)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 c1coc(c1)[*:1] O=C(NCc1ccsc1)C(=O)NC[C@@H](N1CCc2ccccc2C1)[*:1]
CCCCCCCCn1cnc2ccccc21 CCC[*:1] c1ccc2c(c1)ncn2CCCCC[*:1]
CCCCCCCCn1cnc2ccccc21 CCCCC[*:1] c1ccc2c(c1)ncn2CCC[*:1]
CCCCCCCCn1cnc2ccccc21 CCCC[*:1] c1ccc2c(c1)ncn2CCCC[*:1]
CC(C)NC(=O)Cc1ccc(NCCn2c(=O)oc3ccccc32)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)NCCn1c(=O)oc2ccccc21)N[*:1]
CC(C)NC(=O)Cc1ccc(NCCn2c(=O)oc3ccccc32)cc1 CC(C)NC(=O)[*:1] O=c1oc2ccccc2n1CCNc1ccc(cc1)C[*:1]
CC(C)NC(=O)Cc1ccc(NCCn2c(=O)oc3ccccc32)cc1 CC(C)NC(=O)C[*:1] O=c1oc2ccccc2n1CCNc1ccc(cc1)[*:1]
COC(=O)c1cccc(C)c1NC(=O)c1ccnc2ccccc12 COC(=O)[*:1] Cc1cccc(c1NC(=O)c1ccnc2ccccc12)[*:1]
CO[C@@H](C)COC(=O)c1scnc1C1CC1 CO[C@@H](C)C[*:1] O=C(O[*:1])c1scnc1C1CC1
CO[C@@H](C)COC(=O)c1scnc1C1CC1 CO[C@@H](C)[*:1] O=C(OC[*:1])c1scnc1C1CC1
CO[C@@H](C)COC(=O)c1scnc1C1CC1 C1CC1[*:1] CO[C@@H](C)COC(=O)c1scnc1[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(F)c(Cl)c1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])NC(=S)Nc1ccc(F)c(Cl)c1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NC(=S)N[*:1]
CCCOc1ccc(/C=N/N2[C@H]([C@@H]3C=C(C)N=N3)N=N[C@@H]2S)cc1 CCC[*:1] CC1=C[C@H](N=N1)[C@@H]1N=N[C@H](S)N1/N=C/c1ccc(cc1)O[*:1]
CCCOc1ccc(/C=N/N2[C@H]([C@@H]3C=C(C)N=N3)N=N[C@@H]2S)cc1 CCCO[*:1] CC1=C[C@H](N=N1)[C@@H]1N=N[C@H](S)N1/N=C/c1ccc(cc1)[*:1]
C[C@@H](CCCO)NC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] C[C@@H](CCCO)NC(=O)N[C@@H]1CCN(C1=O)[*:1]
C[C@@H](CCCO)NC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O OCCC[*:1] C[C@@H](NC(=O)N[C@@H]1CCN(C1=O)c1ccccc1Cl)[*:1]
C[C@@H](CCCO)NC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O C[C@@H](CCCO)[*:1] O=C(N[C@@H]1CCN(C1=O)c1ccccc1Cl)N[*:1]
C[C@@H](CCCO)NC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O OCC[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H]1CCN(C1=O)c1ccccc1Cl
O=C(CNc1cc(Cl)cc(Cl)c1)Nc1ccc(N2CCCC2=O)cc1 Clc1cc(Cl)cc(c1)[*:1] O=C(CN[*:1])Nc1ccc(cc1)N1CCCC1=O
O=C(CNc1cc(Cl)cc(Cl)c1)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(CNc1cc(Cl)cc(Cl)c1)Nc1ccc(cc1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)c2nc(C3CC3)n3ccccc23)C1 CC(=O)NC[*:1] O=C(c1nc(C2CC2)n2ccccc12)N1CCC[C@H](C1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)c2nc(C3CC3)n3ccccc23)C1 C1CC1[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)c1nc(n2ccccc12)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)c2nc(C3CC3)n3ccccc23)C1 CC(=O)N[*:1] O=C(c1nc(C2CC2)n2ccccc12)N1CCC[C@H](C1)C[*:1]
COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-c1nc2cc(C)ccn2c1NC(=O)[*:1]
COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1C(=O)Nc1c(nc2cc(C)ccn12)[*:1]
COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(F)c(F)c1 COC(=O)[*:1] CC1=C([C@H](NC(=S)N1c1ccc2OCCOc2c1)c1ccc(F)c(F)c1)[*:1]
COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC(=O)C1=C(C)N(C(=S)N[C@H]1[*:1])c1ccc2OCCOc2c1
COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(F)c(F)c1 c1cc2OCCOc2cc1[*:1] COC(=O)C1=C(C)N(C(=S)N[C@@H]1c1ccc(F)c(F)c1)[*:1]
CCOc1cccc2cc([C@@H](C)NC(=O)[C@H]3CC=CCC3)oc12 CCO[*:1] C[C@@H](NC(=O)[C@H]1CC=CCC1)c1cc2cccc(c2o1)[*:1]
CC(C)(C)NC(=O)Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21 CC(C)(C)NC(=O)C[*:1] O=C(NCCc1nc2ccccc2n1[*:1])c1ccccc1
CC(C)(C)NC(=O)Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21 CC(C)(C)[*:1] O=C(Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21)N[*:1]
CC(C)(C)NC(=O)Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21 CC(C)(C)NC(=O)[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])c1ccccc1
CC(C)(C)NC(=O)Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)Cn1c(CCNC(=O)[*:1])nc2ccccc21
CC(C)(C)NC(=O)Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21 O=C(N[*:1])c1ccccc1 CC(C)(C)NC(=O)Cn1c(CC[*:1])nc2ccccc21
CC(C)(C)C[C@H]1CCCN1C(=O)C[C@@H]1SC(N)=NC1=O CC(C)(C)[*:1] NC1=NC(=O)[C@H](CC(=O)N2CCC[C@@H]2C[*:1])S1
CC(C)(C)C[C@H]1CCCN1C(=O)C[C@@H]1SC(N)=NC1=O CC(C)(C)C[*:1] NC1=NC(=O)[C@H](CC(=O)N2CCC[C@@H]2[*:1])S1
C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1cccnc1)c1ccc(F)cc1 c1cncc(c1)[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C[*:1])c1ccc(F)cc1
C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1cccnc1)c1ccc(F)cc1 c1cncc(c1)C[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(c1ccc(F)cc1)[*:1]
C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1cccnc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1cccnc1)[*:1]
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H](C)CC2CCCCC2)c1 C1CCC(CC1)[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)NC(=O)[C@H](C)C[*:1]
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H](C)CC2CCCCC2)c1 C1CCC(CC1)C[*:1] CNS(=O)(=O)c1cccc(c1)[C@H](C)NC(=O)[C@H](C)[*:1]
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H](C)CC2CCCCC2)c1 CNS(=O)(=O)[*:1] C[C@H](NC(=O)[C@H](C)CC1CCCCC1)c1cccc(c1)[*:1]
O=C([O-])c1ccc(CSc2ccc3ccccc3c2)nc1 O=C([O-])[*:1] c1ccc2cc(ccc2c1)SCc1ccc(cn1)[*:1]
C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)c1nn(c(=O)c2ccccc12)[*:1]
O=C(Nc1ccc2c(c1)OCCO2)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 c1cc2OCCOc2cc1[*:1] O=C(N[*:1])c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
CS[C@H](C)C(=O)N(CCC(N)=O)Cc1ccccc1 NC(=O)C[*:1] CS[C@H](C)C(=O)N(Cc1ccccc1)C[*:1]
CS[C@H](C)C(=O)N(CCC(N)=O)Cc1ccccc1 NC(=O)CC[*:1] CS[C@H](C)C(=O)N(Cc1ccccc1)[*:1]
CS[C@H](C)C(=O)N(CCC(N)=O)Cc1ccccc1 NC(=O)[*:1] CS[C@H](C)C(=O)N(CC[*:1])Cc1ccccc1
CS[C@H](C)C(=O)N(CCC(N)=O)Cc1ccccc1 c1ccc(cc1)[*:1] CS[C@H](C)C(=O)N(CCC(N)=O)C[*:1]
O=C([O-])/C=C/c1ccc(I)cc1 O=C([O-])[*:1] Ic1ccc(C=C[*:1])cc1
Cc1cscc1-c1nnnn1C[C@@H](C)C(=O)[O-] O=C([O-])[*:1] Cc1cscc1-c1nnnn1C[C@@H](C)[*:1]
O=C(NC[C@H](O)c1ccccc1Cl)c1cc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] O=C(NC[C@H](O)c1ccccc1Cl)c1cc(n[nH]1)[*:1]
O=C(NC[C@H](O)c1ccccc1Cl)c1cc(-c2cccs2)n[nH]1 Clc1ccccc1[*:1] O=C(NC[C@H](O)[*:1])c1cc(n[nH]1)-c1cccs1
Cc1cc(Br)ccc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)CCS(=O)(=O)[*:1]
Fc1cccc(C[C@H]2CCCN2Cc2nnc(-c3ccco3)o2)c1 Fc1cccc(c1)[*:1] c1coc(c1)-c1nnc(CN2CCC[C@@H]2C[*:1])o1
Fc1cccc(C[C@H]2CCCN2Cc2nnc(-c3ccco3)o2)c1 Fc1cccc(c1)C[*:1] c1coc(c1)-c1nnc(CN2CCC[C@@H]2[*:1])o1
Fc1cccc(C[C@H]2CCCN2Cc2nnc(-c3ccco3)o2)c1 c1coc(c1)[*:1] Fc1cccc(c1)C[C@H]1CCCN1Cc1nnc(o1)[*:1]
Cc1c(C(=O)NCCBr)cccc1[N+](=O)[O-] BrCC[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N[*:1]
Cc1c(C(=O)NCCBr)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NCCBr
Cc1ccc(C2=N/C(=C\c3ccccc3F)C(=O)O2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C1=N/C(=C\c2ccccc2F)C(=O)O1
Cc1ccc(C2=N/C(=C\c3ccccc3F)C(=O)O2)cc1[N+](=O)[O-] Fc1ccccc1[*:1] Cc1ccc(cc1[N+](=O)[O-])C1=NC(=C[*:1])C(=O)O1
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCC5)o4)s3)CC2)cc1 c1nc(oc1[*:1])C1CCCC1 CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(s1)[*:1]
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCC5)o4)s3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=S(=O)(c1ccc(s1)-c1cnc(o1)C1CCCC1)N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCC5)o4)s3)CC2)cc1 C1CCC(C1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(s1)-c1cnc(o1)[*:1]
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CCCC5)o4)s3)CC2)cc1 CC(=O)[*:1] O=S(=O)(c1ccc(s1)-c1cnc(o1)C1CCCC1)N1CCN(CC1)c1ccc(cc1)[*:1]
CC(C)[NH2+]C[C@]1(O)CCCN(CCCc2ccccc2)C1=O CC(C)[*:1] O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+][*:1]
CC(C)[NH2+]C[C@]1(O)CCCN(CCCc2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)[NH2+]C[C@]1(O)CCCN(CCC[*:1])C1=O
CC(C)[NH2+]C[C@]1(O)CCCN(CCCc2ccccc2)C1=O c1ccc(cc1)C[*:1] CC(C)[NH2+]C[C@]1(O)CCCN(CC[*:1])C1=O
C[NH+](CCOc1ccccc1[N+](=O)[O-])C1CCS(=O)(=O)CC1 O=[N+]([O-])[*:1] C[NH+](CCOc1ccccc1[*:1])C1CCS(=O)(=O)CC1
Cc1nn(C)c2ncc(NC(=O)/C=C/c3ccc(Br)cc3)cc12 Brc1ccc(cc1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)C=C[*:1]
O=C(Cc1ccccc1Cl)NCc1ccnc(-n2cccn2)c1 c1cnn(c1)[*:1] O=C(Cc1ccccc1Cl)NCc1ccnc(c1)[*:1]
O=C(Cc1ccccc1Cl)NCc1ccnc(-n2cccn2)c1 Clc1ccccc1[*:1] O=C(C[*:1])NCc1ccnc(c1)-n1cccn1
Cc1nc2cc(NC(=O)c3ncccc3C(F)(F)F)ccc2n1C FC(F)(F)[*:1] Cc1nc2cc(ccc2n1C)NC(=O)c1ncccc1[*:1]
CNC(=O)[C@H]1N=NC2=C1CN(C(=O)c1sc(C(C)C)nc1C)CC2 CNC(=O)[*:1] Cc1nc(sc1C(=O)N1CCC2N=N[C@@H](C=2C1)[*:1])C(C)C
CNC(=O)[C@H]1N=NC2=C1CN(C(=O)c1sc(C(C)C)nc1C)CC2 CC(C)[*:1] CNC(=O)[C@H]1N=NC2CCN(CC=21)C(=O)c1sc(nc1C)[*:1]
Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 Fc1ccccc1[*:1] Cn1c2NC(=O)[C@@](NC(=O)[*:1])(c2c(=O)[nH]c1=O)C(F)(F)F
Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 FC(F)(F)[*:1] Cn1c2NC(=O)[C@](NC(=O)c3ccccc3F)(c2c(=O)[nH]c1=O)[*:1]
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](F)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](F)C1
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](F)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[*:1])[C@@H](F)C1
CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](F)C1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CC[C@H]([NH2+][*:1])[C@@H](F)C1
Cc1nn(C)c(Cl)c1C[NH+](C)CCO OCC[*:1] Cc1nn(C)c(Cl)c1C[NH+](C)[*:1]
C[C@@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
C[C@@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC[*:1]
C[C@@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 CC(C)(C)[*:1] C[C@@H](CNC(=O)C1CCN(CC1)C(=O)O[*:1])c1ccccc1
CC(=O)N[C@@H](C(=O)NC[C@](C)(O)c1ccsc1)C1CCCC1 c1cc(cs1)[*:1] CC(=O)N[C@@H](C(=O)NC[C@](C)(O)[*:1])C1CCCC1
CC(=O)N[C@@H](C(=O)NC[C@](C)(O)c1ccsc1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)NC[C@](C)(O)c1ccsc1)[*:1]
CC(=O)N[C@@H](C(=O)NC[C@](C)(O)c1ccsc1)C1CCCC1 CC(=O)N[*:1] C[C@](O)(CNC(=O)[C@@H](C1CCCC1)[*:1])c1ccsc1
Cc1ccccc1NC(=O)CC[S@@](=O)Cc1ccc(F)c(F)c1 Cc1ccccc1[*:1] O=C(CC[S@@](=O)Cc1ccc(F)c(F)c1)N[*:1]
CCc1noc(C)c1C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] CCc1noc(C)c1C(=O)Nc1ccc(cc1)[*:1]
CN(Cc1noc(C(C)(C)C)n1)C[C@@H](O)CN1CCOCC1 C1CN(CCO1)[*:1] CN(Cc1noc(n1)C(C)(C)C)C[C@@H](O)C[*:1]
CN(Cc1noc(C(C)(C)C)n1)C[C@@H](O)CN1CCOCC1 CC(C)(C)[*:1] CN(Cc1noc(n1)[*:1])C[C@@H](O)CN1CCOCC1
CN(Cc1noc(C(C)(C)C)n1)C[C@@H](O)CN1CCOCC1 C1CN(CCO1)C[*:1] CN(Cc1noc(n1)C(C)(C)C)C[C@@H](O)[*:1]
Cc1nccn1-c1ccc([C@@H](C)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 O=S1(=O)CC[C@H](C1)C[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NC(=O)[*:1]
Cc1nccn1-c1ccc([C@@H](C)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 Cc1nccn1[*:1] C[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)CNc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)N(C[C@@H]1CCCCO1)C(=O)CNc1ccccc1[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)CNc1ccccc1[N+](=O)[O-] CC(C)[*:1] O=C(CNc1ccccc1[N+](=O)[O-])N(C[C@@H]1CCCCO1)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)CNc1ccccc1[N+](=O)[O-] C1CC[C@@H](C[*:1])OC1 CC(C)N(C(=O)CNc1ccccc1[N+](=O)[O-])[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)CNc1ccccc1[N+](=O)[O-] C1CC[C@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)CNc1ccccc1[N+](=O)[O-]
CCc1ccc(C[NH+]2CCN(CCNC(=O)NC(C)C)CC2)o1 CCc1ccc(o1)[*:1] CC(C)NC(=O)NCCN1CC[NH+](CC1)C[*:1]
CCc1ccc(C[NH+]2CCN(CCNC(=O)NC(C)C)CC2)o1 CC(C)[*:1] CCc1ccc(C[NH+]2CCN(CCNC(=O)N[*:1])CC2)o1
CCc1ccc(C[NH+]2CCN(CCNC(=O)NC(C)C)CC2)o1 CC(C)NC(=O)N[*:1] CCc1ccc(C[NH+]2CCN(CC2)CC[*:1])o1
Cc1nc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)n(C2CCCC2)c1C O=S(=O)(N1CCOCC1)[*:1] Cc1nc(SCc2cccc(c2)[*:1])n(c1C)C1CCCC1
Cc1nc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)n(C2CCCC2)c1C C1CCC(C1)[*:1] Cc1nc(SCc2cccc(c2)S(=O)(=O)N2CCOCC2)n(c1C)[*:1]
O[C@@H](C[C@@H]1CCCN1c1ccc2nnc(C(F)F)n2n1)c1ccco1 FC(F)[*:1] O[C@@H](C[C@@H]1CCCN1c1ccc2nnc(n2n1)[*:1])c1ccco1
O[C@@H](C[C@@H]1CCCN1c1ccc2nnc(C(F)F)n2n1)c1ccco1 O[C@@H](c1ccco1)[*:1] FC(F)c1nnc2ccc(nn12)N1CCC[C@H]1C[*:1]
O[C@@H](C[C@@H]1CCCN1c1ccc2nnc(C(F)F)n2n1)c1ccco1 O[C@@H](C[*:1])c1ccco1 FC(F)c1nnc2ccc(nn12)N1CCC[C@H]1[*:1]
O[C@@H](C[C@@H]1CCCN1c1ccc2nnc(C(F)F)n2n1)c1ccco1 c1coc(c1)[*:1] O[C@@H](C[C@@H]1CCCN1c1ccc2nnc(C(F)F)n2n1)[*:1]
COc1ccccc1-c1noc2ncnc(NCCc3ccccc3)c12 c1ccc(cc1)C[*:1] COc1ccccc1-c1noc2ncnc(NC[*:1])c12
COc1ccccc1-c1noc2ncnc(NCCc3ccccc3)c12 COc1ccccc1[*:1] c1ccc(cc1)CCNc1ncnc2onc(c12)[*:1]
COc1ccccc1-c1noc2ncnc(NCCc3ccccc3)c12 c1ccc(cc1)CC[*:1] COc1ccccc1-c1noc2ncnc(N[*:1])c12
COc1ccccc1-c1noc2ncnc(NCCc3ccccc3)c12 c1ccc(cc1)[*:1] COc1ccccc1-c1noc2ncnc(NCC[*:1])c12
CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 Cc1cc(C)cc(c1)[*:1] CCCc1nnc2S[C@@H](C(=O)N[*:1])[C@H](Nn12)c1ccccc1
CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 CCC[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H]1Sc2nnc(n2N[C@@H]1c1ccccc1)[*:1]
CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 c1ccc(cc1)[*:1] CCCc1nnc2S[C@@H](C(=O)Nc3cc(C)cc(C)c3)[C@@H](Nn12)[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 O=[N+]([O-])[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)c1ccc(cc1Cl)[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 Cc1ccccc1C[*:1] O=C(c1ccc(cc1Cl)[N+](=O)[O-])N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 Cc1ccccc1CO[*:1] O=C(c1ccc(cc1Cl)[N+](=O)[O-])N1CCC(CC1)[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 Cc1ccccc1[*:1] O=C(c1ccc(cc1Cl)[N+](=O)[O-])N1CCC(CC1)OC[*:1]
Cc1nn(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
Cc1nn(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)c(C)c1Cl c1ccc(cc1)[*:1] Cc1nn(-c2ccc(cc2)C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c(C)c1Cl
O=C(c1ccccc1F)N1CCC[C@@H]1c1nc(-c2cccnc2)cc(=O)[nH]1 c1cncc(c1)[*:1] O=C(c1ccccc1F)N1CCC[C@@H]1c1nc(cc(=O)[nH]1)[*:1]
O=C(c1ccccc1F)N1CCC[C@@H]1c1nc(-c2cccnc2)cc(=O)[nH]1 Fc1ccccc1[*:1] O=C(N1CCC[C@@H]1c1nc(cc(=O)[nH]1)-c1cccnc1)[*:1]
O=C(NC[C@@H](O)Cc1ccccc1)c1nc2ccccc2s1 c1ccc(cc1)[*:1] O=C(NC[C@@H](O)C[*:1])c1nc2ccccc2s1
O=C(NC[C@@H](O)Cc1ccccc1)c1nc2ccccc2s1 c1ccc(cc1)C[*:1] O=C(NC[C@@H](O)[*:1])c1nc2ccccc2s1
OC[C@]1([NH2+]C2CC2)CCC[C@@H]([NH+]2CCCCC2)C1 C1CC1[*:1] OC[C@@]1(CCC[C@H](C1)[NH+]1CCCCC1)[NH2+][*:1]
Cc1cc(NC(=O)CCSc2ncc(C(F)(F)F)cc2Cl)no1 FC(F)(F)[*:1] Cc1cc(no1)NC(=O)CCSc1ncc(cc1Cl)[*:1]
Cc1cc(NC(=O)CCSc2ncc(C(F)(F)F)cc2Cl)no1 Cc1cc(no1)[*:1] O=C(CCSc1ncc(cc1Cl)C(F)(F)F)N[*:1]
CCCc1cc(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)n(C)n1 COC[*:1] CCCc1cc(NC(=O)[C@@H]2CC(=O)N(C2)C[*:1])n(C)n1
CCCc1cc(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)n(C)n1 CCC[*:1] COCCN1C[C@@H](CC1=O)C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)n(C)n1 COCC[*:1] CCCc1cc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])n(C)n1
CC(C)c1ccc(C(=O)N2CCN(Cn3nc(C(C)(C)C)[nH]c3=S)CC2)cc1 CC(C)[*:1] CC(C)(C)c1nn(CN2CCN(CC2)C(=O)c2ccc(cc2)[*:1])c(=S)[nH]1
CC(C)c1ccc(C(=O)N2CCN(Cn3nc(C(C)(C)C)[nH]c3=S)CC2)cc1 CC(C)c1ccc(cc1)[*:1] CC(C)(C)c1nn(CN2CCN(CC2)C(=O)[*:1])c(=S)[nH]1
CC(C)c1ccc(C(=O)N2CCN(Cn3nc(C(C)(C)C)[nH]c3=S)CC2)cc1 CC(C)(C)[*:1] CC(C)c1ccc(cc1)C(=O)N1CCN(CC1)Cn1nc([nH]c1=S)[*:1]
N#Cc1c(NC(=O)CSc2nccn2Cc2ccccc2)sc2c1CCC2 c1ccc(cc1)[*:1] N#Cc1c(NC(=O)CSc2nccn2C[*:1])sc2CCCc21
N#Cc1c(NC(=O)CSc2nccn2Cc2ccccc2)sc2c1CCC2 c1ccc(cc1)C[*:1] N#Cc1c(NC(=O)CSc2nccn2[*:1])sc2CCCc21
C=C(C)COc1cccc(NC(=O)c2sccc2OC(F)F)c1 FC(F)O[*:1] C=C(C)COc1cccc(c1)NC(=O)c1sccc1[*:1]
C=C(C)COc1cccc(NC(=O)c2sccc2OC(F)F)c1 C=C(C)[*:1] O=C(Nc1cccc(c1)OC[*:1])c1sccc1OC(F)F
C=C(C)COc1cccc(NC(=O)c2sccc2OC(F)F)c1 C=C(C)CO[*:1] O=C(Nc1cccc(c1)[*:1])c1sccc1OC(F)F
C=C(C)COc1cccc(NC(=O)c2sccc2OC(F)F)c1 C=C(C)C[*:1] O=C(Nc1cccc(c1)O[*:1])c1sccc1OC(F)F
C=C(C)COc1cccc(NC(=O)c2sccc2OC(F)F)c1 FC(F)[*:1] C=C(C)COc1cccc(c1)NC(=O)c1sccc1O[*:1]
Cc1nc2c(C)cccn2c1C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc2c(C)cccn2c1C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]1[*:1]
Cc1nc2c(C)cccn2c1C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(F)cc1 Cc1nc2c(C)cccn2c1[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(F)cc1
CCOc1ccc(-c2csc(NC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 c1cc2OCOc2cc1[*:1] CCOc1ccc(cc1)-c1csc(n1)NC(=O)N[*:1]
CCOc1ccc(-c2csc(NC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)Nc1nc(cs1)[*:1]
CCOc1ccc(-c2csc(NC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 CCO[*:1] O=C(Nc1ccc2OCOc2c1)Nc1nc(cs1)-c1ccc(cc1)[*:1]
Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccc(Cl)cc32)s1 Clc1ccccc1[*:1] Cc1ccc(s1)C(=O)C[C@]1(O)C(=O)N(C[*:1])c2ccc(Cl)cc21
Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccc(Cl)cc32)s1 Cc1ccc(s1)C(=O)[*:1] O=C1N(Cc2ccccc2Cl)c2ccc(Cl)cc2[C@]1(O)C[*:1]
Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccc(Cl)cc32)s1 Clc1ccccc1C[*:1] Cc1ccc(s1)C(=O)C[C@]1(O)C(=O)N(c2ccc(Cl)cc21)[*:1]
Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccc(Cl)cc32)s1 Cc1ccc(s1)C(=O)C[*:1] O=C1N(Cc2ccccc2Cl)c2ccc(Cl)cc2[C@@]1(O)[*:1]
Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccc(Cl)cc32)s1 Cc1ccc(s1)[*:1] O=C1N(Cc2ccccc2Cl)c2ccc(Cl)cc2[C@]1(O)CC(=O)[*:1]
N#CCc1noc(Cc2ccccc2)n1 N#CC[*:1] c1ccc(cc1)Cc1nc(no1)[*:1]
Cn1cccc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 Cn1cccc1[*:1] [NH3+]CCN1C(=O)CC[C@H]2CN(CC[C@H]21)C(=O)[*:1]
Cn1cccc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 [NH3+]CC[*:1] Cn1cccc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2[*:1])C1
CC(=O)c1c[nH]cc1C(C)=O CC(=O)[*:1] CC(=O)c1c[nH]cc1[*:1]
COc1ccc(Oc2cc(CNC(=O)Nc3ccccc3)ccn2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)Oc1cc(ccn1)CNC(=O)N[*:1]
COc1ccc(Oc2cc(CNC(=O)Nc3ccccc3)ccn2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)O[*:1])Nc1ccccc1
COc1ccc(C)cc1[C@@]1(C[NH2+]CC(C)C)CC[C@H]1C CC(C)[*:1] COc1ccc(C)cc1[C@]1(CC[C@H]1C)C[NH2+]C[*:1]
COc1ccc(C)cc1[C@@]1(C[NH2+]CC(C)C)CC[C@H]1C CC(C)C[*:1] COc1ccc(C)cc1[C@]1(CC[C@H]1C)C[NH2+][*:1]
CC(C)c1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)on1 CC(C)c1cc(on1)[*:1] O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[*:1]
CC(C)c1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)on1 CC(C)[*:1] O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)on1 Fc1cc(ccc1Cl)[*:1] CC(C)c1cc(on1)C(=O)N[C@@H]1CCO[C@@H]1[*:1]
COc1cc(C[NH+](C)C2CCN(c3cccc(F)c3)CC2)cc2c1OCO2 Fc1cccc(c1)[*:1] COc1cc(cc2OCOc12)C[NH+](C)C1CCN(CC1)[*:1]
Cc1cccc(C[NH+]2CCC(CNC(=O)Cc3noc4ccc(C)cc34)CC2)c1 Cc1cccc(c1)C[*:1] Cc1ccc2onc(CC(=O)NCC3CC[NH+](CC3)[*:1])c2c1
Cc1cccc(C[NH+]2CCC(CNC(=O)Cc3noc4ccc(C)cc34)CC2)c1 Cc1cccc(c1)[*:1] Cc1ccc2onc(CC(=O)NCC3CC[NH+](CC3)C[*:1])c2c1
COc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1ccc(C#N)c(Cl)c1
COc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cc(ccc1OCC(=O)N[*:1])C(=O)Nc1ccc(C#N)c(Cl)c1
COc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 N#Cc1ccc(cc1Cl)[*:1] COc1cc(ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)N[*:1]
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C2(C(N)=O)CC2)cc1 NC(=O)C1(CC1)C(=O)N[*:1] CC(C)(C)c1ccc(cc1)-n1ncc2c1CCC[C@@H]2[*:1]
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C2(C(N)=O)CC2)cc1 NC(=O)[*:1] CC(C)(C)c1ccc(cc1)-n1ncc2c1CCC[C@H]2NC(=O)C1(CC1)[*:1]
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C2(C(N)=O)CC2)cc1 CC(C)(C)[*:1] NC(=O)C1(CC1)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C2(C(N)=O)CC2)cc1 NC(=O)C1(CC1)[*:1] CC(C)(C)c1ccc(cc1)-n1ncc2c1CCC[C@H]2NC(=O)[*:1]
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(F)cc2)cc1 N#CCc1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)Nc1ccccc1CO[*:1]
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(F)cc2)cc1 N#CC[*:1] O=C(NCc1ccc(F)cc1)Nc1ccccc1COc1ccc(cc1)[*:1]
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] N#CCc1ccc(cc1)OCc1ccccc1NC(=O)NC[*:1]
N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] N#CCc1ccc(cc1)OCc1ccccc1NC(=O)N[*:1]
Cn1cc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])N(C[C@@H]1CCCO1)C1CCCC1
Cn1cc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cn1 C1CCC(C1)[*:1] Cn1cc(cn1)NC(=O)N(C[C@@H]1CCCO1)[*:1]
Cn1cc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cn1 C1CO[C@@H](C1)C[*:1] Cn1cc(cn1)NC(=O)N(C1CCCC1)[*:1]
Cn1cc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cn1 C1CO[C@@H](C1)[*:1] Cn1cc(cn1)NC(=O)N(C[*:1])C1CCCC1
C[C@@H](CC(=O)N1CCCC[C@H]1CN1CCCC1=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@@H](CC(=O)N1CCCC[C@H]1CN1CCCC1=O)[*:1]
C[C@@H](CC(=O)N1CCCC[C@H]1CN1CCCC1=O)Cc1ccc(Cl)cc1 O=C1CCCN1C[*:1] C[C@@H](CC(=O)N1CCCC[C@@H]1[*:1])Cc1ccc(Cl)cc1
C[C@@H](CC(=O)N1CCCC[C@H]1CN1CCCC1=O)Cc1ccc(Cl)cc1 O=C1CCCN1[*:1] C[C@@H](CC(=O)N1CCCC[C@H]1C[*:1])Cc1ccc(Cl)cc1
C[C@@H](CC(=O)N1CCCC[C@H]1CN1CCCC1=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)N1CCCC[C@H]1CN1CCCC1=O)C[*:1]
CCCNc1nc(NCCOC)nc2c1cnn2C COCC[*:1] CCCNc1nc(nc2c1cnn2C)N[*:1]
CCCNc1nc(NCCOC)nc2c1cnn2C CCC[*:1] COCCNc1nc(N[*:1])c2cnn(C)c2n1
CCCNc1nc(NCCOC)nc2c1cnn2C COC[*:1] CCCNc1nc(nc2c1cnn2C)NC[*:1]
CCCNc1nc(NCCOC)nc2c1cnn2C COCCN[*:1] CCCNc1nc(nc2c1cnn2C)[*:1]
CCCNc1nc(NCCOC)nc2c1cnn2C CCCN[*:1] COCCNc1nc(c2cnn(C)c2n1)[*:1]
C[C@H]1Oc2ccc(NC(=O)N(C)Cc3ccc(Cl)s3)cc2NC1=O Clc1ccc(s1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)N(C)C[*:1]
C[C@H]1Oc2ccc(NC(=O)N(C)Cc3ccc(Cl)s3)cc2NC1=O Clc1ccc(C[*:1])s1 C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)N(C)[*:1]
Clc1ccc(Cl)c(-c2ccc(CNc3ncn[nH]3)o2)c1 c1n[nH]c(n1)N[*:1] Clc1ccc(Cl)c(c1)-c1ccc(C[*:1])o1
Clc1ccc(Cl)c(-c2ccc(CNc3ncn[nH]3)o2)c1 c1n[nH]c(n1)[*:1] Clc1ccc(Cl)c(c1)-c1ccc(CN[*:1])o1
Cc1coc(-c2cccc(NC(=O)C=C3CCSCC3)c2)n1 Cc1coc(n1)[*:1] O=C(C=C1CCSCC1)Nc1cccc(c1)[*:1]
O=C(CN1CC(=O)Oc2ccccc21)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 O=C(c1ccc(F)cc1)[*:1] O=C(CN1CC(=O)Oc2ccccc21)Oc1ccc(cc1)[*:1]
O=C(CN1CC(=O)Oc2ccccc21)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CC(=O)Oc2ccccc21)Oc1ccc(cc1)C(=O)[*:1]
Cc1cncc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)c1 Cc1cncc(c1)[*:1] O=C(CCNC(=O)c1ccc2ccccc2c1)N[*:1]
CC(C)C[C@H](NCc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2sccn12)C(N)=O CC(C)C[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1nc2sccn2c1CN[C@H](C(N)=O)[*:1]
CC(C)C[C@H](NCc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2sccn12)C(N)=O NC(=O)[*:1] CC(C)C[C@H](NCc1c(nc2sccn12)C(=O)N1C[C@H](C)O[C@H](C)C1)[*:1]
CC(C)C[C@H](NCc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2sccn12)C(N)=O CC(C)C[C@H](C(N)=O)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1nc2sccn2c1CN[*:1]
CC(C)C[C@H](NCc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2sccn12)C(N)=O CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1nc2sccn2c1CN[C@@H](C[*:1])C(N)=O
CC(C)C[C@H](NCc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2sccn12)C(N)=O CC(C)C[C@H](N[*:1])C(N)=O C[C@H]1CN(C[C@@H](C)O1)C(=O)c1nc2sccn2c1C[*:1]
CCCCCOCC[C@@H]1CCC[C@H]1O CCCC[*:1] O[C@@H]1CCC[C@H]1CCOC[*:1]
CCCCCOCC[C@@H]1CCC[C@H]1O CCC[*:1] O[C@@H]1CCC[C@H]1CCOCC[*:1]
CC[C@@H](c1ccccc1)[S@@](=O)Cc1coc(-c2cccs2)n1 c1ccc(cc1)[*:1] CC[C@@H]([S@@](=O)Cc1coc(n1)-c1cccs1)[*:1]
CC[C@@H](c1ccccc1)[S@@](=O)Cc1coc(-c2cccs2)n1 c1csc(c1)[*:1] CC[C@@H](c1ccccc1)[S@@](=O)Cc1coc(n1)[*:1]
CCn1nc(C)c(CN(C)C(=O)c2c([N+](=O)[O-])cnn2C)c1C O=[N+]([O-])[*:1] CCn1nc(C)c(CN(C)C(=O)c2c(cnn2C)[*:1])c1C
CN1CCN(C(=O)c2ccc(-c3cncnc3)nc2)CC1 c1ncc(cn1)[*:1] CN1CCN(CC1)C(=O)c1ccc(nc1)[*:1]
Nc1c(C(=O)Nc2ccc(F)cc2)sc2[nH+]c3cc4c(cc3cc12)OCO4 Fc1ccc(cc1)[*:1] Nc1c(sc2[nH+]c3cc4OCOc4cc3cc12)C(=O)N[*:1]
CCC[C@@H](C[NH3+])c1nc([C@H]2CN(CCC)CCO2)no1 CCC[*:1] CCC[C@@H](C[NH3+])c1nc(no1)[C@H]1CN(CCO1)[*:1]
CCC[C@@H](C[NH3+])c1nc([C@H]2CN(CCC)CCO2)no1 CCC[*:1] CCCN1CCO[C@H](C1)c1noc(n1)[C@H](C[NH3+])[*:1]
COC(=O)c1cc(NC(=O)CSc2nnc(-c3cccc(F)c3)o2)ccc1Cl Fc1cccc(c1)[*:1] COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnc(o1)[*:1]
COC(=O)c1cc(NC(=O)CSc2nnc(-c3cccc(F)c3)o2)ccc1Cl COC(=O)[*:1] O=C(CSc1nnc(o1)-c1cccc(F)c1)Nc1ccc(Cl)c(c1)[*:1]
O=C(NNC(=O)c1cccc(F)c1)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(NNC(=O)c1cccc(F)c1)Nc1ccc(cc1)O[*:1]
O=C(NNC(=O)c1cccc(F)c1)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(NNC(=O)c1cccc(F)c1)Nc1ccc(cc1)[*:1]
O=C(NNC(=O)c1cccc(F)c1)Nc1ccc(OC(F)F)cc1 Fc1cccc(c1)[*:1] O=C(NNC(=O)[*:1])Nc1ccc(cc1)OC(F)F
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1nc(C2CC2)n2ccccc12 c1ccc(cc1)[*:1] C[C@@H]1[C@H](CCN1C(=O)c1nc(C2CC2)n2ccccc12)[*:1]
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] C[C@@H]1[C@@H](CCN1C(=O)c1nc(n2ccccc12)[*:1])c1ccccc1
CC(C)C(=O)NCCNC(=O)Cn1c(=S)[nH]c2ccccc2c1=O CC(C)C(=O)NC[*:1] O=C(Cn1c(=S)[nH]c2ccccc2c1=O)NC[*:1]
CC(C)C(=O)NCCNC(=O)Cn1c(=S)[nH]c2ccccc2c1=O CC(C)C(=O)NCC[*:1] O=C(Cn1c(=S)[nH]c2ccccc2c1=O)N[*:1]
CC(C)C(=O)NCCNC(=O)Cn1c(=S)[nH]c2ccccc2c1=O CC(C)C(=O)N[*:1] O=C(Cn1c(=S)[nH]c2ccccc2c1=O)NCC[*:1]
CC(C)C(=O)NCCNC(=O)Cn1c(=S)[nH]c2ccccc2c1=O CC(C)[*:1] O=C(Cn1c(=S)[nH]c2ccccc2c1=O)NCCNC(=O)[*:1]
COc1ccc(-c2c(C)nn3c2NC(=O)[C@@H]3CC(=O)Nc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)-c1c(C)nn2c1NC(=O)[C@@H]2CC(=O)N[*:1]
COc1ccc(-c2c(C)nn3c2NC(=O)[C@@H]3CC(=O)Nc2cccc(C)c2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)C[C@H]1C(=O)Nc2c(c(C)nn21)[*:1]
Cc1cc(C)cc(-n2c(S[C@@H](C)C#N)nc3ccccc3c2=O)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H](C#N)Sc1nc2ccccc2c(=O)n1[*:1]
Cc1ccc(OCc2nc(CC(=O)N3C[C@@H](C)CC[C@@H]3C)cs2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)Cc1csc(CO[*:1])n1
Cc1ccc(OCc2nc(CC(=O)N3C[C@@H](C)CC[C@@H]3C)cs2)cc1 Cc1ccc(cc1)O[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)Cc1csc(C[*:1])n1
C[C@H](NC(=O)NCc1cc(=O)[nH]c2ccccc12)C(C)(C)c1ccccc1 CC(C)(c1ccccc1)[*:1] C[C@H](NC(=O)NCc1cc(=O)[nH]c2ccccc12)[*:1]
C[C@H](NC(=O)NCc1cc(=O)[nH]c2ccccc12)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCc1cc(=O)[nH]c2ccccc12)C(C)(C)[*:1]
CCCc1[nH]nc(C(=O)N[C@H](C)c2c(C)noc2C)c1N Cc1noc(C)c1[*:1] CCCc1[nH]nc(C(=O)N[C@H](C)[*:1])c1N
CCCc1[nH]nc(C(=O)N[C@H](C)c2c(C)noc2C)c1N CCC[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)c1n[nH]c(c1N)[*:1]
COc1ccccc1COC1CCN(C(=O)CN(C)c2ccccc2)CC1 CN(c1ccccc1)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)C[*:1]
COc1ccccc1COC1CCN(C(=O)CN(C)c2ccccc2)CC1 COc1ccccc1[*:1] CN(CC(=O)N1CCC(CC1)OC[*:1])c1ccccc1
COc1ccccc1COC1CCN(C(=O)CN(C)c2ccccc2)CC1 CN(C[*:1])c1ccccc1 COc1ccccc1COC1CCN(CC1)C(=O)[*:1]
COc1ccccc1COC1CCN(C(=O)CN(C)c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)CN(C)[*:1]
COc1ccccc1COC1CCN(C(=O)CN(C)c2ccccc2)CC1 COc1ccccc1C[*:1] CN(CC(=O)N1CCC(CC1)O[*:1])c1ccccc1
C#CCNC(=O)c1ccccc1NC(=O)CCc1nc(-c2ccncc2)no1 C#CCNC(=O)[*:1] O=C(CCc1nc(no1)-c1ccncc1)Nc1ccccc1[*:1]
C#CCNC(=O)c1ccccc1NC(=O)CCc1nc(-c2ccncc2)no1 C#CC[*:1] O=C(CCc1nc(no1)-c1ccncc1)Nc1ccccc1C(=O)N[*:1]
C#CCNC(=O)c1ccccc1NC(=O)CCc1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] C#CCNC(=O)c1ccccc1NC(=O)CCc1nc(no1)[*:1]
CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 CCCCNC(=O)[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCC[C@H]1[*:1])c1ccc(Cl)cc1
CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)NC(=O)[*:1]
CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)NC[*:1])c1ccc(Cl)cc1
CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 O=C(N[*:1])c1ccc(Cl)cc1 CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 CCCC[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N[*:1])c1ccc(Cl)cc1
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2ccnc2)C1 c1cn(cn1)C[*:1] C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[*:1])C1
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2ccnc2)C1 c1cn(cn1)[*:1] C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C[*:1])C1
CC(C)(C)c1ccc([C@H]2C[NH+]=C(N)N2CC2CC2)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)[C@H]1C[NH+]=C(N)N1C[*:1]
CC(C)(C)c1ccc([C@H]2C[NH+]=C(N)N2CC2CC2)cc1 CC(C)(C)[*:1] NC1=[NH+]C[C@H](c2ccc(cc2)[*:1])N1CC1CC1
CC(C)(C)c1ccc([C@H]2C[NH+]=C(N)N2CC2CC2)cc1 C1CC1C[*:1] CC(C)(C)c1ccc(cc1)[C@H]1C[NH+]=C(N)N1[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](C)Sc3cc(Cl)ccc3Cl)CC2)no1 Cc1cc(no1)[*:1] C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](C)Sc3cc(Cl)ccc3Cl)CC2)no1 Clc1ccc(Cl)c(c1)S[*:1] Cc1cc(no1)NC(=O)CN1CCN(CC1)C(=O)[C@@H](C)[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](C)Sc3cc(Cl)ccc3Cl)CC2)no1 Cc1cc(no1)NC(=O)[*:1] C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN(CC1)C[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](C)Sc3cc(Cl)ccc3Cl)CC2)no1 Clc1ccc(Cl)c(c1)[*:1] Cc1cc(no1)NC(=O)CN1CCN(CC1)C(=O)[C@@H](C)S[*:1]
COc1ccc(CNC(=O)c2cc(NC(=O)Cc3ccccc3)n(C)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)c1cc(NC(=O)C[*:1])n(C)n1
COc1ccc(CNC(=O)c2cc(NC(=O)Cc3ccccc3)n(C)n2)cc1 COc1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)Cc1ccccc1)C(=O)N[*:1]
COc1ccc(CNC(=O)c2cc(NC(=O)Cc3ccccc3)n(C)n2)cc1 COc1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)Cc1ccccc1)C(=O)NC[*:1]
COc1ccc(CNC(=O)c2cc(NC(=O)Cc3ccccc3)n(C)n2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)CNC(=O)c1cc(NC(=O)[*:1])n(C)n1
COc1cccc(CN2CCO[C@H](C(N)=[NH2+])C2)n1 NC(=[NH2+])[*:1] COc1cccc(CN2CCO[C@H](C2)[*:1])n1
Cc1ccc([C@@H]2NC(N)=[NH+]c3nc4ccccc4n32)o1 Cc1ccc(o1)[*:1] NC1N[C@H](n2c(nc3ccccc32)[NH+]=1)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)c(C)o1 N#CC[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)Nc2ccc(cc2)[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)c(C)o1 N#CCc1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)N[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] N#CCc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 CC(C)(C)[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 CC(=O)N[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
CC[C@@H](Sc1cccc(C)c1)C(N)=O NC(=O)[*:1] CC[C@@H](Sc1cccc(C)c1)[*:1]
CN(CC1CC1)C(=O)NCc1ccc(-n2cncn2)cc1 C1CC1C[*:1] CN(C(=O)NCc1ccc(cc1)-n1cncn1)[*:1]
CN(CC1CC1)C(=O)NCc1ccc(-n2cncn2)cc1 C1CC1[*:1] CN(C[*:1])C(=O)NCc1ccc(cc1)-n1cncn1
CN(CC1CC1)C(=O)NCc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CN(CC1CC1)C(=O)NCc1ccc(cc1)[*:1]
O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O Clc1ccc(C=C[*:1])cc1 O=C1c2cccc(NC(=O)[*:1])c2C(=O)N1c1ccccc1
O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O c1ccc(cc1)[*:1] O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2C(=O)N(C(=O)c12)[*:1]
O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O Clc1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1cccc2C(=O)N(C(=O)c12)c1ccccc1
CC(C)[C@H]1CSC(NCc2ccccn2)=[NH+]1 CC(C)[*:1] c1ccc(CNC2=[NH+][C@H](CS2)[*:1])nc1
C[C@H](CCCCl)[NH2+]C[C@H]1CCCO1 ClCCC[*:1] C[C@H]([NH2+]C[C@H]1CCCO1)[*:1]
C[C@H](CCCCl)[NH2+]C[C@H]1CCCO1 ClCC[*:1] C[C@H](C[*:1])[NH2+]C[C@H]1CCCO1
CC[C@H](NC(=O)N(C)CCSC)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)N(C)CCSC)c1cccc(c1)[*:1]
CC[C@H](NC(=O)N(C)CCSC)c1cccc([N+](=O)[O-])c1 CSC[*:1] CC[C@H](NC(=O)N(C)C[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)N(C)CCSC)c1cccc([N+](=O)[O-])c1 CSCC[*:1] CC[C@H](NC(=O)N(C)[*:1])c1cccc(c1)[N+](=O)[O-]
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 c1cnc(nc1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
N/C(=N/OCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCOC1 FC(F)(F)[*:1] N/C(=N/OCc1ccc(cc1)O[*:1])[C@@H]1CCOC1
N/C(=N/OCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCOC1 FC(F)(F)O[*:1] N/C(=N/OCc1ccc(cc1)[*:1])[C@@H]1CCOC1
Cc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)C(=O)N/C(=C/c1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccco2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NC(=C[*:1])C(=O)NCc1ccco1
Cc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccco2)cc1 Cc1ccc(cc1)C(=O)N[*:1] O=C(NCc1ccco1)C(=Cc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C(=O)N/C(=C/c1ccc(cc1)[N+](=O)[O-])C(=O)NC[*:1]
Cc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] Cc1ccc(cc1)C(=O)N/C(=C/c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccco2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)N/C(=C/c1ccc(cc1)[*:1])C(=O)NCc1ccco1
Cc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccco2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccco1)/C(=C\c1ccc(cc1)[N+](=O)[O-])NC(=O)[*:1]
CCOc1cccc(CN(C(=O)[C@H]2CCCC[C@H]2C(=O)NC)C2CC2)c1 CCO[*:1] CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(Cc1cccc(c1)[*:1])C1CC1
CCOc1cccc(CN(C(=O)[C@H]2CCCC[C@H]2C(=O)NC)C2CC2)c1 C1CC1[*:1] CCOc1cccc(c1)CN(C(=O)[C@H]1CCCC[C@H]1C(=O)NC)[*:1]
CCOc1cccc(CN(C(=O)[C@H]2CCCC[C@H]2C(=O)NC)C2CC2)c1 CNC(=O)[*:1] CCOc1cccc(c1)CN(C(=O)[C@H]1CCCC[C@@H]1[*:1])C1CC1
CN(C)C(=O)[C@@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 Fc1ccc(cc1)[*:1] CN(C)C(=O)[C@@H]1CCCN1C(=O)C1C[C@H](C(N)=O)N(N=1)[*:1]
CN(C)C(=O)[C@@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 CN(C)C(=O)[*:1] NC(=O)[C@H]1CC(=NN1c1ccc(F)cc1)C(=O)N1CCC[C@H]1[*:1]
CN(C)C(=O)[C@@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 NC(=O)[*:1] CN(C)C(=O)[C@@H]1CCCN1C(=O)C1C[C@H](N(N=1)c1ccc(F)cc1)[*:1]
COc1cccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1OC FC(F)(F)[*:1] COc1cccc(C[NH+]2CCN(CC2)c2cccc(c2)[*:1])c1OC
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 c1ccc(C[*:1])nc1 O=C(c1ccc(o1)[N+](=O)[O-])N(c1nc2c(F)cccc2s1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(N(Cc1ccccn1)c1nc2c(F)cccc2s1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 c1ccc(nc1)[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N(C[*:1])c1nc2c(F)cccc2s1
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 O=[N+]([O-])[*:1] O=C(c1ccc(o1)[*:1])N(Cc1ccccn1)c1nc2c(F)cccc2s1
CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1 CCN(CC)C(=O)[*:1] N#Cc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)[*:1]
O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 c1cncc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1cccnc1)[C@@H]1CCCN1S(=O)(=O)[*:1]
Cc1cc(C)cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1 Cc1cc(C)cc(c1)[*:1] O=C(COC(=O)[*:1])Nc1ccc2OCCOc2c1
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1)N1CCCc2ccccc21 c1coc(c1)C[*:1] O=C(CN(S(=O)(=O)c1ccc(Cl)nc1)[*:1])N1CCCc2ccccc21
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1)N1CCCc2ccccc21 c1coc(c1)[*:1] O=C(CN(C[*:1])S(=O)(=O)c1ccc(Cl)nc1)N1CCCc2ccccc21
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1)N1CCCc2ccccc21 Clc1ccc(cn1)[*:1] O=C(CN(Cc1ccco1)S(=O)(=O)[*:1])N1CCCc2ccccc21
CC(C)[C@H](NC1Cc2ccccc2C1)c1nc(C2CC2)no1 CC(C)[*:1] c1ccc2CC(Cc2c1)N[C@H](c1nc(no1)C1CC1)[*:1]
CC(C)[C@H](NC1Cc2ccccc2C1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@H](NC1Cc2ccccc2C1)c1nc(no1)[*:1]
CCN(C)C(=O)Nc1cccc(OCC(N)=[NH2+])c1 NC(=[NH2+])CO[*:1] CCN(C)C(=O)Nc1cccc(c1)[*:1]
CCN(C)C(=O)Nc1cccc(OCC(N)=[NH2+])c1 NC(=[NH2+])[*:1] CCN(C)C(=O)Nc1cccc(c1)OC[*:1]
CCN(C)C(=O)Nc1cccc(OCC(N)=[NH2+])c1 NC(=[NH2+])C[*:1] CCN(C)C(=O)Nc1cccc(c1)O[*:1]
CC(C)(C)NC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 O=[N+]([O-])[*:1] CC(C)(C)NC(=O)N1CCC(CC1)Nc1ccc(cc1Cl)[*:1]
CC(C)(C)NC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 CC(C)(C)[*:1] O=C(N[*:1])N1CCC(CC1)Nc1ccc(cc1Cl)[N+](=O)[O-]
CCc1nnc(NC(=O)CS[C@H]2Nc3ccccc3C(=O)N2c2ccccc2)s1 CCc1nnc(s1)[*:1] O=C(CS[C@H]1Nc2ccccc2C(=O)N1c1ccccc1)N[*:1]
CCc1nnc(NC(=O)CS[C@H]2Nc3ccccc3C(=O)N2c2ccccc2)s1 c1ccc(cc1)[*:1] CCc1nnc(NC(=O)CS[C@H]2Nc3ccccc3C(=O)N2[*:1])s1
O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(COC(=O)c1ccc2OCOc2c1)NCc1ccccc1[*:1]
O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccccc1C(F)(F)F c1cc2OCOc2cc1[*:1] O=C(COC(=O)[*:1])NCc1ccccc1C(F)(F)F
COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1Br)CO2 Brc1ccccc1[*:1] COc1ccc2OCC(=C[*:1])C(=O)c2c1
COc1ccnc(N2CCN(C(=O)c3cc(C)ccc3C)CC2)n1 COc1ccnc(n1)[*:1] Cc1ccc(C)c(c1)C(=O)N1CCN(CC1)[*:1]
COc1ccnc(N2CCN(C(=O)c3cc(C)ccc3C)CC2)n1 Cc1ccc(C)c(c1)[*:1] COc1ccnc(n1)N1CCN(CC1)C(=O)[*:1]
COc1ccc([C@H](CNC(=O)C2c3ccccc3Oc3ccccc32)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)[*:1]
COc1ccc([C@H](CNC(=O)C2c3ccccc3Oc3ccccc32)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])C1c2ccccc2Oc2ccccc21
C[C@@H](c1ccccc1)S(=O)(=O)Cc1ccc(C#N)cc1 c1ccc(cc1)[*:1] C[C@@H](S(=O)(=O)Cc1ccc(C#N)cc1)[*:1]
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4cc(C)on4)[C@H]3c3ccc(F)cc3)oc12 Cc1cc(no1)[*:1] COc1cccc2cc(oc12)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(F)cc1)[*:1]
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4cc(C)on4)[C@H]3c3ccc(F)cc3)oc12 Fc1ccc(cc1)[*:1] COc1cccc2cc(oc12)C(=O)C1=C([O-])C(=O)N(c2cc(C)on2)[C@@H]1[*:1]
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4cc(C)on4)[C@H]3c3ccc(F)cc3)oc12 COc1cccc2cc(oc12)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(F)cc1
COC(=O)c1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 COC(=O)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(c1)[*:1]
C=CCOc1ccccc1/C=C1\Oc2ccc(Cl)cc2C1=O C=CC[*:1] O=C1/C(=C/c2ccccc2O[*:1])Oc2ccc(Cl)cc21
C=CCOc1ccccc1/C=C1\Oc2ccc(Cl)cc2C1=O C=CCO[*:1] O=C1/C(=C/c2ccccc2[*:1])Oc2ccc(Cl)cc21
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)[NH+]1CCCCCC1)OCCO3 C1CCC(CC1)n1nnnc1[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1[C@H]([NH+]1CCCCCC1)[*:1]
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)[NH+]1CCCCCC1)OCCO3 C1CCC(CC1)[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1[C@H](c1nnnn1[*:1])[NH+]1CCCCCC1
CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)N3C[C@H](C)Oc4ccc(C)cc43)CC2)cc1 CCOC(=O)[*:1] Cc1ccc2O[C@@H](C)CN(C(=O)N3CCC(CC3)C(=O)Nc3ccc(cc3)[*:1])c2c1
CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)N3C[C@H](C)Oc4ccc(C)cc43)CC2)cc1 CCOC(=O)c1ccc(cc1)[*:1] Cc1ccc2O[C@@H](C)CN(C(=O)N3CCC(CC3)C(=O)N[*:1])c2c1
CC[NH+]1CCN(c2ncnc(Nc3ccc(F)c(Cl)c3)c2N)CC1 Fc1ccc(cc1Cl)[*:1] CC[NH+]1CCN(CC1)c1ncnc(N[*:1])c1N
CCN(C(=O)CCn1c(C)cccc1=O)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)CCn1c(C)cccc1=O)[*:1]
CC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O)cc1 c1ccc(cc1)O[*:1] CC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[*:1]
CC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)O[*:1]
CC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O)cc1 CC(=O)c1ccc(cc1)[*:1] O=C1c2ccc(cc2C(=O)N1[*:1])Oc1ccccc1
CC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O)cc1 CC(=O)[*:1] O=C1c2ccc(cc2C(=O)N1c1ccc(cc1)[*:1])Oc1ccccc1
NC(=O)NC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCC2 NC(=O)NC(=O)[*:1] O=C(Nc1sc2CCCc2c1[*:1])c1cc(=O)c2ccccc2o1
CC(C)CCO[C@H]1CCC[C@@]([NH2+]C(C)C)(C(N)=O)C1 CC(C)C[*:1] CC(C)[NH2+][C@]1(CCC[C@@H](C1)OC[*:1])C(N)=O
CC(C)CCO[C@H]1CCC[C@@]([NH2+]C(C)C)(C(N)=O)C1 CC(C)[*:1] CC(C)[NH2+][C@]1(CCC[C@@H](C1)OCC[*:1])C(N)=O
CC(C)CCO[C@H]1CCC[C@@]([NH2+]C(C)C)(C(N)=O)C1 CC(C)CC[*:1] CC(C)[NH2+][C@]1(CCC[C@@H](C1)O[*:1])C(N)=O
CC(C)CCO[C@H]1CCC[C@@]([NH2+]C(C)C)(C(N)=O)C1 NC(=O)[*:1] CC(C)CCO[C@H]1CCC[C@](C1)([NH2+]C(C)C)[*:1]
CC(C)CCO[C@H]1CCC[C@@]([NH2+]C(C)C)(C(N)=O)C1 CC(C)[*:1] CC(C)CCO[C@H]1CCC[C@@](C1)([NH2+][*:1])C(N)=O
CC(C)CCO[C@H]1CCC[C@@]([NH2+]C(C)C)(C(N)=O)C1 CC(C)CCO[*:1] CC(C)[NH2+][C@]1(CCC[C@@H](C1)[*:1])C(N)=O
CCC[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccnc2C)C1 Cc1ncccc1[*:1] CCC[C@@]1(CCN(C1)C(=O)N[*:1])C(=O)[O-]
CCC[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccnc2C)C1 CCC[*:1] Cc1ncccc1NC(=O)N1CC[C@](C1)(C(=O)[O-])[*:1]
CCC[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccnc2C)C1 O=C([O-])[*:1] CCC[C@@]1(CCN(C1)C(=O)Nc1cccnc1C)[*:1]
O=C([C@@H]1CCCO1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 C1CC1[*:1] O=C([C@@H]1CCCO1)N(Cc1nnc(o1)-c1ccc(Cl)cc1)[*:1]
O=C([C@@H]1CCCO1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 Clc1ccc(cc1)[*:1] O=C([C@@H]1CCCO1)N(Cc1nnc(o1)[*:1])C1CC1
Cc1cc(C[NH+](C)Cc2nnc(C3CC3)n2C)c(C)n1C1CCCCC1 C1CC1[*:1] Cc1cc(C[NH+](C)Cc2nnc(n2C)[*:1])c(C)n1C1CCCCC1
Cc1cc(C[NH+](C)Cc2nnc(C3CC3)n2C)c(C)n1C1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(C[NH+](C)Cc2nnc(C3CC3)n2C)c(C)n1[*:1]
c1ccc(N[C@@H]2CCN(c3cc(-n4cccn4)ccn3)C2)cc1 c1ccc(cc1)[*:1] c1cnn(c1)-c1ccnc(c1)N1CC[C@H](C1)N[*:1]
c1ccc(N[C@@H]2CCN(c3cc(-n4cccn4)ccn3)C2)cc1 c1cnn(c1)[*:1] c1ccc(cc1)N[C@@H]1CCN(C1)c1cc(ccn1)[*:1]
c1ccc(N[C@@H]2CCN(c3cc(-n4cccn4)ccn3)C2)cc1 c1ccc(cc1)N[*:1] c1cnn(c1)-c1ccnc(c1)N1CC[C@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)CSc2nncn2C)CCO1 Cn1cnnc1[*:1] CCC[C@@H]1CN(CCO1)C(=O)CS[*:1]
CCC[C@@H]1CN(C(=O)CSc2nncn2C)CCO1 CCC[*:1] Cn1cnnc1SCC(=O)N1CCO[C@@H](C1)[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)NC[C@H](O)c1cccc(c1)[*:1]
CCOC(=O)c1nn(CCc2scnc2C)c2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2 CCOC(=O)[*:1] Cc1ncsc1CCn1nc(c2CN(CCc21)C(=O)[C@H]1COc2ccccc2C1)[*:1]
CCOC(=O)c1nn(CCc2scnc2C)c2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2 Cc1ncsc1[*:1] CCOC(=O)c1nn(CC[*:1])c2CCN(Cc12)C(=O)[C@H]1COc2ccccc2C1
CCOC(=O)c1nn(CCc2scnc2C)c2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2 Cc1ncsc1C[*:1] CCOC(=O)c1nn(C[*:1])c2CCN(Cc12)C(=O)[C@H]1COc2ccccc2C1
CCOC(=O)c1nn(CCc2scnc2C)c2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2 Cc1ncsc1CC[*:1] CCOC(=O)c1nn(c2CCN(Cc12)C(=O)[C@H]1COc2ccccc2C1)[*:1]
CC(C)c1nc(NC(=O)N[C@H](C)c2c(F)cccc2Cl)n(C)n1 CC(C)[*:1] C[C@@H](NC(=O)Nc1nc(nn1C)[*:1])c1c(F)cccc1Cl
O=C(CCCNC(=O)NOC1CCCC1)NC1CC1 C1CCC(C1)[*:1] O=C(CCCNC(=O)NO[*:1])NC1CC1
O=C(CCCNC(=O)NOC1CCCC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NCCC[*:1])NOC1CCCC1
O=C(CCCNC(=O)NOC1CCCC1)NC1CC1 C1CC1[*:1] O=C(CCCNC(=O)NOC1CCCC1)N[*:1]
CC[C@@H](NS(=O)(=O)C1CCOCC1)c1ccc(OC)cc1 C1CC(CCO1)[*:1] CC[C@@H](NS(=O)(=O)[*:1])c1ccc(cc1)OC
COC(=O)c1ccc(C)c(NC(=O)c2ccc[nH]2)c1 c1c[nH]c(c1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)[*:1]
COC(=O)c1ccc(C)c(NC(=O)c2ccc[nH]2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)c1ccc[nH]1)[*:1]
CCC[C@H](NC(=O)/C=C/c1ccc(Br)s1)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)/C=C/c1ccc(Br)s1)[*:1]
CCC[C@H](NC(=O)/C=C/c1ccc(Br)s1)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)/C=C/c1ccc(Br)s1)[*:1]
CCC[C@H](NC(=O)/C=C/c1ccc(Br)s1)C(=O)OC Brc1ccc(s1)[*:1] CCC[C@H](NC(=O)C=C[*:1])C(=O)OC
NC(=O)c1ccsc1NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O NC(=O)[*:1] O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1sccc1[*:1]
NC(=O)c1ccsc1NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] NC(=O)c1ccsc1NC(=O)CN1C(=O)C(=O)N(C1=O)[*:1]
NC(=O)c1ccsc1NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O NC(=O)c1ccsc1[*:1] O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N[*:1]
NC(=O)c1ccsc1NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] NC(=O)c1ccsc1NC(=O)CN1C(=O)C(=O)N(C[*:1])C1=O
C[C@H](NC(=O)[C@H]1CCO[C@H]1C)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H]1CCO[C@H]1C)C(c1ccccc1)[*:1]
CC(=O)Nc1ncc(S(=O)(=O)NCCc2ccccc2)s1 c1ccc(cc1)[*:1] CC(=O)Nc1ncc(s1)S(=O)(=O)NCC[*:1]
CC(=O)Nc1ncc(S(=O)(=O)NCCc2ccccc2)s1 CC(=O)N[*:1] O=S(=O)(NCCc1ccccc1)c1cnc(s1)[*:1]
CC(=O)Nc1ncc(S(=O)(=O)NCCc2ccccc2)s1 c1ccc(cc1)C[*:1] CC(=O)Nc1ncc(s1)S(=O)(=O)NC[*:1]
Cc1cc(NC[C@@H]2COCCO2)ccc1[N+](=O)[O-] C1CO[C@@H](CO1)[*:1] Cc1cc(ccc1[N+](=O)[O-])NC[*:1]
Cc1cc(NC[C@@H]2COCCO2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])NC[C@@H]1COCCO1
CNC(=O)c1ccc(NC(=O)N(C)C2CCC(C)CC2)cc1 CC1CCC(CC1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)N(C)[*:1]
CNC(=O)c1ccc(NC(=O)N(C)C2CCC(C)CC2)cc1 CNC(=O)[*:1] CC1CCC(CC1)N(C)C(=O)Nc1ccc(cc1)[*:1]
COC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(N)=O NC(=O)[*:1] COC[C@@](C)(NC(=O)c1ccc(cc1)S(=O)(=O)N(C)C)[*:1]
COC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(N)=O CN(C)S(=O)(=O)[*:1] COC[C@@](C)(NC(=O)c1ccc(cc1)[*:1])C(N)=O
COC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(N)=O COC[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N[C@](C)(C(N)=O)[*:1]
Cl[C@H](CC[C@H]1CCOC2(CCC2)C1)c1ccccc1 c1ccc(cc1)[*:1] Cl[C@H](CC[C@H]1CCOC2(CCC2)C1)[*:1]
Cc1ccccc1C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 Cc1ccccc1[*:1] C[C@H]1CN(C(=O)[*:1])c2ccccc2NC1=O
COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(C)c1 COC(=O)[*:1] Cc1cc(ccc1F)NC(=O)N[C@@H]1CCC[C@@H]1[*:1]
CC(C)CS(=O)(=O)CCC(=O)N1CCN(c2ccccc2Cl)CC1 CC(C)CS(=O)(=O)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccccc1Cl
CC(C)CS(=O)(=O)CCC(=O)N1CCN(c2ccccc2Cl)CC1 CC(C)CS(=O)(=O)C[*:1] O=C(C[*:1])N1CCN(CC1)c1ccccc1Cl
CC(C)CS(=O)(=O)CCC(=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC(C)CS(=O)(=O)CCC(=O)N1CCN(CC1)[*:1]
CC(C)CS(=O)(=O)CCC(=O)N1CCN(c2ccccc2Cl)CC1 CC(C)[*:1] O=C(CCS(=O)(=O)C[*:1])N1CCN(CC1)c1ccccc1Cl
CC(C)CS(=O)(=O)CCC(=O)N1CCN(c2ccccc2Cl)CC1 CC(C)C[*:1] O=C(CCS(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1Cl
CC(C)(CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2)c1cccs1 c1csc(c1)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccc2CCCC(=O)c2c1)[*:1]
CC(C)(CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2)c1cccs1 CC(C)(c1cccs1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2CCCC(=O)c2c1
Cc1n[nH]c(C)c1CCC(=O)N(C)CCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1CCC(=O)N(C)CCO[*:1]
Cc1n[nH]c(C)c1CCC(=O)N(C)CCOc1ccc(F)cc1 Cc1n[nH]c(C)c1[*:1] CN(CCOc1ccc(F)cc1)C(=O)CC[*:1]
CCN1C(=O)N(CC)[C@@H]2[C@@H]1NC(=O)N2CCCC(=O)[O-] O=C([O-])[*:1] CCN1C(=O)N(CC)[C@@H]2[C@@H]1NC(=O)N2CCC[*:1]
CCN1C(=O)N(CC)[C@@H]2[C@@H]1NC(=O)N2CCCC(=O)[O-] O=C([O-])CCC[*:1] CCN1C(=O)N(CC)[C@@H]2[C@@H]1NC(=O)N2[*:1]
CCN1C(=O)N(CC)[C@@H]2[C@@H]1NC(=O)N2CCCC(=O)[O-] O=C([O-])C[*:1] CCN1C(=O)N(CC)[C@@H]2[C@@H]1NC(=O)N2CC[*:1]
CCN1C(=O)N(CC)[C@@H]2[C@@H]1NC(=O)N2CCCC(=O)[O-] O=C([O-])CC[*:1] CCN1C(=O)N(CC)[C@@H]2[C@@H]1NC(=O)N2C[*:1]
CC(C)C[NH+](CC(N)=O)Cc1ccc(F)c(Cl)c1 NC(=O)[*:1] CC(C)C[NH+](Cc1ccc(F)c(Cl)c1)C[*:1]
CC(C)C[NH+](CC(N)=O)Cc1ccc(F)c(Cl)c1 CC(C)[*:1] NC(=O)C[NH+](Cc1ccc(F)c(Cl)c1)C[*:1]
CC(C)C[NH+](CC(N)=O)Cc1ccc(F)c(Cl)c1 NC(=O)C[*:1] CC(C)C[NH+](Cc1ccc(F)c(Cl)c1)[*:1]
CC(C)C[NH+](CC(N)=O)Cc1ccc(F)c(Cl)c1 CC(C)C[*:1] NC(=O)C[NH+](Cc1ccc(F)c(Cl)c1)[*:1]
O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1Cl)NS(=O)(=O)[*:1]
O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl O=C([O-])[*:1] O=S(=O)(Nc1ccc(c(Cl)c1)[*:1])c1ccccc1
CCc1cc(CC2(c3ccc(F)cc3)C[NH2+]C2)n(CC)n1 Fc1ccc(cc1)[*:1] CCc1cc(CC2(C[NH2+]C2)[*:1])n(CC)n1
NC(=O)CN(C(=O)CCCn1ccnn1)C1CCCC1 C1CCC(C1)[*:1] NC(=O)CN(C(=O)CCCn1ccnn1)[*:1]
NC(=O)CN(C(=O)CCCn1ccnn1)C1CCCC1 c1cn(C[*:1])nn1 NC(=O)CN(C(=O)CC[*:1])C1CCCC1
NC(=O)CN(C(=O)CCCn1ccnn1)C1CCCC1 NC(=O)[*:1] O=C(CCCn1ccnn1)N(C[*:1])C1CCCC1
NC(=O)CN(C(=O)CCCn1ccnn1)C1CCCC1 c1cn(nn1)[*:1] NC(=O)CN(C(=O)CCC[*:1])C1CCCC1
NC(=O)CN(C(=O)CCCn1ccnn1)C1CCCC1 NC(=O)C[*:1] O=C(CCCn1ccnn1)N(C1CCCC1)[*:1]
O=C(CCCCl)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ClCCC[*:1] O=C(Nc1nnc(s1)-c1ccc(Cl)cc1Cl)[*:1]
O=C(CCCCl)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ClCC[*:1] O=C(C[*:1])Nc1nnc(s1)-c1ccc(Cl)cc1Cl
CC1(C)NC(=O)N(CCCOc2ccccc2-c2ccccc2)C1=O c1ccc(cc1)[*:1] CC1(C)NC(=O)N(CCCOc2ccccc2[*:1])C1=O
CCOC[C@H](O)CN1CCN(C(=O)Nc2cccc(C#N)c2)CC1 CCOC[C@H](O)C[*:1] N#Cc1cccc(c1)NC(=O)N1CCN(CC1)[*:1]
CCOC[C@H](O)CN1CCN(C(=O)Nc2cccc(C#N)c2)CC1 N#Cc1cccc(c1)[*:1] CCOC[C@H](O)CN1CCN(CC1)C(=O)N[*:1]
CCOC[C@H](O)CN1CCN(C(=O)Nc2cccc(C#N)c2)CC1 CCOC[*:1] N#Cc1cccc(c1)NC(=O)N1CCN(CC1)C[C@@H](O)[*:1]
CCOC[C@H](O)CN1CCN(C(=O)Nc2cccc(C#N)c2)CC1 CCO[*:1] N#Cc1cccc(c1)NC(=O)N1CCN(CC1)C[C@@H](O)C[*:1]
N#CC1=C(C#N)[C@@H]2C(=CC3=C(CCCC3)[C@@H]2c2ccccc2F)N=C1[NH-] Fc1ccccc1[*:1] N#CC1C([NH-])=NC2=CC3CCCCC=3[C@H]([C@@H]2C=1C#N)[*:1]
c1cnc2nc(CN3CCOC[C@@H]3C3CC3)cn2c1 C1CC1[*:1] c1cnc2nc(cn2c1)CN1CCOC[C@H]1[*:1]
CC(C)(C)c1n[nH]c(SCc2nc(-c3cccc(-n4cccc4)c3)no2)n1 CC(C)(C)[*:1] c1cc(cc(c1)-n1cccc1)-c1noc(CSc2nc(n[nH]2)[*:1])n1
CC(C)(C)c1n[nH]c(SCc2nc(-c3cccc(-n4cccc4)c3)no2)n1 c1ccn(c1)[*:1] CC(C)(C)c1n[nH]c(n1)SCc1nc(no1)-c1cccc(c1)[*:1]
CC(C)(C)c1n[nH]c(SCc2nc(-c3cccc(-n4cccc4)c3)no2)n1 CC(C)(C)c1n[nH]c(n1)[*:1] c1cc(cc(c1)-n1cccc1)-c1noc(CS[*:1])n1
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 c1ccn(c1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)C(=O)c1cnn(C)c1[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 Cc1noc(C)c1[*:1] Cn1ncc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c1-n1cccc1
Cn1nc(CC(=O)OCc2cc(-c3cccs3)on2)c2ccccc2c1=O c1csc(c1)[*:1] Cn1nc(CC(=O)OCc2cc(on2)[*:1])c2ccccc2c1=O
O=C(CCc1nc2ccccc2[nH]c1=O)NCc1cccnc1 c1cncc(c1)[*:1] O=C(CCc1nc2ccccc2[nH]c1=O)NC[*:1]
O=C(CCc1nc2ccccc2[nH]c1=O)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(CCc1nc2ccccc2[nH]c1=O)N[*:1]
O=C(c1ccc(F)cc1F)N1CCc2nc3ncccc3cc2C1 Fc1ccc(c(F)c1)[*:1] O=C(N1CCc2nc3ncccc3cc2C1)[*:1]
O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 c1nnnn1[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CN(CCO1)Cc1ccccc1
O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-n1cnnn1)[C@@H]1CN(CCO1)C[*:1]
O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)-n1cnnn1)[C@@H]1CN(CCO1)[*:1]
CCOc1cccc2c1CC[C@H]2NC(=O)N[C@H](C)c1cnn(C)c1 CCO[*:1] C[C@@H](NC(=O)N[C@@H]1CCc2c1cccc2[*:1])c1cnn(C)c1
CCOc1cccc2c1CC[C@H]2NC(=O)N[C@H](C)c1cnn(C)c1 Cn1cc(cn1)[*:1] CCOc1cccc2c1CC[C@H]2NC(=O)N[C@H](C)[*:1]
CCOc1cccc2c1CC[C@H]2NC(=O)N[C@H](C)c1cnn(C)c1 C[C@H](c1cnn(C)c1)[*:1] CCOc1cccc2c1CC[C@H]2NC(=O)N[*:1]
N/C(=N/O)c1ccc(Sc2cccc(F)c2)c(F)c1 N/C(=N/O)[*:1] Fc1cccc(c1)Sc1ccc(cc1F)[*:1]
C[C@@H](C(=O)NC1CCCCCC1)S(=O)(=O)Cc1ccccc1C(F)(F)F C1CCCC(CC1)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1ccccc1C(F)(F)F
C[C@@H](C(=O)NC1CCCCCC1)S(=O)(=O)Cc1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](C(=O)NC1CCCCCC1)S(=O)(=O)Cc1ccccc1[*:1]
C=CCNC(=O)CN1CCO[C@H](c2ccccc2F)C1 C=CC[*:1] O=C(CN1CCO[C@@H](C1)c1ccccc1F)N[*:1]
C=CCNC(=O)CN1CCO[C@H](c2ccccc2F)C1 C=CCNC(=O)[*:1] Fc1ccccc1[C@@H]1CN(CCO1)C[*:1]
COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1[N+](=O)[O-] O=S(=O)(N[*:1])c1cccs1 COc1ccc(cc1[N+](=O)[O-])C(=O)N1CCC(CC1)[*:1]
COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)N1CCC(CC1)NS(=O)(=O)c1cccs1
COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1[N+](=O)[O-] c1csc(c1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cnn(C)c3)c(=O)n12 CC(=O)[*:1] Cn1cc(/C=c2/sc3=N[C@@]4(C)Oc5ccccc5[C@H]([C@H]4[*:1])n3c2=O)cn1
CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cnn(C)c3)c(=O)n12 Cn1cc(cn1)[*:1] CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1sc(=C[*:1])c(=O)n12
Cc1nc(CN(C)c2cccc(C(N)=[NH2+])c2)sc1C NC(=[NH2+])[*:1] Cc1nc(CN(C)c2cccc(c2)[*:1])sc1C
COc1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H]2c2ccc[nH]2)CC1=O c1c[nH]c(c1)[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)N1CCC[C@H]1[*:1]
COc1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H]2c2ccc[nH]2)CC1=O COc1ccccc1[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC[C@@H]1c1ccc[nH]1
Cn1cc[nH+]c1[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1cc[nH+]c1[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[*:1]
Cn1cc[nH+]c1[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc(F)cc1 O=[N+]([O-])[*:1] Cn1cc[nH+]c1[C@H](Nc1nc2ccccn2c1[*:1])c1ccc(F)cc1
CC(C)C1CCC(C#N)(C2(O)CC[NH+](C(C)C)CC2)CC1 CC(C)[*:1] CC(C)C1CCC(C#N)(CC1)C1(O)CC[NH+](CC1)[*:1]
CC(C)C1CCC(C#N)(C2(O)CC[NH+](C(C)C)CC2)CC1 CC(C)[*:1] CC(C)[NH+]1CCC(O)(CC1)C1(C#N)CCC(CC1)[*:1]
CC(=O)N1CCc2cc(C(=O)Nc3cccc(OCC(N)=O)c3)ccc21 NC(=O)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)Nc1cccc(c1)OC[*:1]
CC(=O)N1CCc2cc(C(=O)Nc3cccc(OCC(N)=O)c3)ccc21 NC(=O)CO[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)Nc1cccc(c1)[*:1]
CC(=O)N1CCc2cc(C(=O)Nc3cccc(OCC(N)=O)c3)ccc21 NC(=O)C[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)Nc1cccc(c1)O[*:1]
Cn1cncc1[C@H]1CC[NH2+]C[C@@H]1Cc1ccccc1 Cn1cncc1[*:1] c1ccc(cc1)C[C@H]1C[NH2+]CC[C@@H]1[*:1]
Cn1cncc1[C@H]1CC[NH2+]C[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] Cn1cncc1[C@H]1CC[NH2+]C[C@@H]1C[*:1]
CC1CCN(S(=O)(=O)c2ccc3c(ccn3CC(=O)[O-])c2)CC1 O=C([O-])[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2c(ccn2C[*:1])c1
CC1CCN(S(=O)(=O)c2ccc3c(ccn3CC(=O)[O-])c2)CC1 O=C([O-])C[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2c(ccn2[*:1])c1
CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CS(C)(=O)=O CC(C)(C)[*:1] CS(=O)(=O)Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1[*:1]
CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CS(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C[*:1]
CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CS(C)(=O)=O CS(=O)(=O)C[*:1] CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1[*:1]
Cc1ccc(N2C(=O)C[C@H](NCc3cccc(F)c3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](NCc2cccc(F)c2)C(=O)N1[*:1]
Cc1ccc(N2C(=O)C[C@H](NCc3cccc(F)c3)C2=O)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](NC[*:1])C1=O
O=C(C1CC[NH+](CC2CCCCC2)CC1)N1CCN(c2ccccc2)CC1 C1CCC(CC1)C[*:1] O=C(C1CC[NH+](CC1)[*:1])N1CCN(CC1)c1ccccc1
O=C(C1CC[NH+](CC2CCCCC2)CC1)N1CCN(c2ccccc2)CC1 C1CCC(CC1)[*:1] O=C(C1CC[NH+](CC1)C[*:1])N1CCN(CC1)c1ccccc1
O=C(C1CC[NH+](CC2CCCCC2)CC1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C1CC[NH+](CC1)CC1CCCCC1)N1CCN(CC1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 CS(=O)(=O)[*:1] C1C[C@@H](C[C@@H](C1)[*:1])[NH2+]CCC[NH+]1CCCC1
CCOC(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccc(C)cc12 CCOC(=O)[*:1] Cc1ccc2[nH]c3nc(nnc3c2c1)S[C@H](C)[*:1]
CCOC(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccc(C)cc12 CCOC(=O)[C@@H](C)[*:1] Cc1ccc2[nH]c3nc(nnc3c2c1)S[*:1]
CNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] CNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N(Cc1ccccc1)[*:1]
CNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 CNC(=O)[*:1] O=C([C@@H]1CC=CC[C@H]1[*:1])N(Cc1ccccc1)Cc1ccccc1
CNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N(Cc1ccccc1)C[*:1]
CC(=O)Nc1ccc(C)cc1NC(=O)COc1ccccc1C Cc1ccccc1[*:1] CC(=O)Nc1ccc(C)cc1NC(=O)CO[*:1]
CC(=O)Nc1ccc(C)cc1NC(=O)COc1ccccc1C CC(=O)N[*:1] Cc1ccc(c(c1)NC(=O)COc1ccccc1C)[*:1]
CCn1cc(CNC(=O)[C@@]2(C)Sc3ccccc3NC2=O)cn1 CCn1cc(cn1)[*:1] C[C@@]1(Sc2ccccc2NC1=O)C(=O)NC[*:1]
CCCNC(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] CCCNC(=O)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
CCCNC(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CCC[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)N[*:1])C1CC1
O=C(Cn1ncc2c1-c1ccoc1CC2)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cn1ncc2CCc3occc3-c21)NC[*:1]
O=C(Cn1ncc2c1-c1ccoc1CC2)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(Cn1ncc2CCc3occc3-c21)N[*:1]
O=C(Nc1cc(Cl)ccc1Cl)c1csc(-c2cnccn2)n1 c1cnc(cn1)[*:1] O=C(Nc1cc(Cl)ccc1Cl)c1csc(n1)[*:1]
Cc1cccc(N2CCN(CC(=O)Nc3cc(F)ccc3C)C[C@@H]2C)c1 Cc1cccc(c1)[*:1] Cc1ccc(F)cc1NC(=O)CN1CCN([C@@H](C)C1)[*:1]
Cc1cccc(N2CCN(CC(=O)Nc3cc(F)ccc3C)C[C@@H]2C)c1 Cc1ccc(F)cc1[*:1] Cc1cccc(c1)N1CCN(CC(=O)N[*:1])C[C@@H]1C
Cc1ccn(-c2ccc(NCCc3ccccn3)nn2)n1 c1ccc(C[*:1])nc1 Cc1ccn(n1)-c1ccc(nn1)NC[*:1]
Cc1ccn(-c2ccc(NCCc3ccccn3)nn2)n1 Cc1ccn(n1)[*:1] c1ccc(CCNc2ccc(nn2)[*:1])nc1
Cc1ccn(-c2ccc(NCCc3ccccn3)nn2)n1 c1ccc(nc1)[*:1] Cc1ccn(n1)-c1ccc(nn1)NCC[*:1]
COc1ccc2c(c1)OCC(C(=O)NC[C@@](C)(O)c1ccc(F)cc1)=C2 Fc1ccc(cc1)[*:1] COc1ccc2C=C(COc2c1)C(=O)NC[C@@](C)(O)[*:1]
CCCCc1ccc(CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 C1CC1[*:1] CCCCc1ccc(cc1)CC(=O)N1CCN(CC1)C(=O)C(=O)N[*:1]
CCCCc1ccc(CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 CCC[*:1] O=C(NC1CC1)C(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)C[*:1]
CCCCc1ccc(CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 CCCC[*:1] O=C(NC1CC1)C(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)[*:1]
N#C[C@H]1C(=S)N=C(c2ccc(F)cc2)C=C1c1ccccc1 Fc1ccc(cc1)[*:1] N#C[C@H]1C(=S)N=C(C=C1c1ccccc1)[*:1]
N#C[C@H]1C(=S)N=C(c2ccc(F)cc2)C=C1c1ccccc1 c1ccc(cc1)[*:1] N#C[C@H]1C(=S)N=C(C=C1[*:1])c1ccc(F)cc1
O=C(Nc1cccnc1N1CCCC1)[C@H]1CCCN(C(=O)C2CC2)C1 C1CCN(C1)[*:1] O=C(Nc1cccnc1[*:1])[C@H]1CCCN(C1)C(=O)C1CC1
O=C(Nc1cccnc1N1CCCC1)[C@H]1CCCN(C(=O)C2CC2)C1 C1CC1[*:1] O=C(Nc1cccnc1N1CCCC1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1c[nH]ccc1=O)c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1c[nH]ccc1=O)c1cc(Cl)ccc1[*:1]
O=C(c1c[nH]nc1-c1ccccc1F)N1CCC[C@H]([NH+]2CCCC2)C1 Fc1ccccc1[*:1] O=C(c1c[nH]nc1[*:1])N1CCC[C@@H](C1)[NH+]1CCCC1
COc1cccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 COc1cccc(c1)C[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCCCC1)[*:1]
COc1cccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCCC1
C=CC[C@]1(C)C(=O)CC[C@@]23COC[C@@H]2CCC[C@H]13 C=CC[*:1] C[C@@]1(C(=O)CC[C@@]23COC[C@@H]2CCC[C@@H]31)[*:1]
Cn1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)ccc1=O Cn1nc(ccc1=O)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1)[*:1]
Cc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)cc(C)[nH+]1 c1cc(ccn1)C[*:1] Cc1cc(cc(C)[nH+]1)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
Cc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)cc(C)[nH+]1 c1cc(ccn1)[*:1] Cc1cc(cc(C)[nH+]1)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
Cc1ccc(S(=O)(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)c(Br)c1 Cc1n[nH]c(C)c1[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)N1CCOC[C@@H]1[*:1]
COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1Cl COC(=O)[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(C)CCN(C(=O)c1cccc(N)n1)C1CCCC1 CC(C)[*:1] Nc1cccc(n1)C(=O)N(CC[*:1])C1CCCC1
CC(C)CCN(C(=O)c1cccc(N)n1)C1CCCC1 C1CCC(C1)[*:1] CC(C)CCN(C(=O)c1cccc(N)n1)[*:1]
CC(C)CCN(C(=O)c1cccc(N)n1)C1CCCC1 CC(C)CC[*:1] Nc1cccc(n1)C(=O)N(C1CCCC1)[*:1]
CC(C)CCN(C(=O)c1cccc(N)n1)C1CCCC1 CC(C)C[*:1] Nc1cccc(n1)C(=O)N(C[*:1])C1CCCC1
Cc1cccc(C2=CC[NH+](Cn3ncn(C)c3=O)CC2)c1 Cc1cccc(c1)[*:1] Cn1cnn(C[NH+]2CC=C(CC2)[*:1])c1=O
Cc1cccc(C2=CC[NH+](Cn3ncn(C)c3=O)CC2)c1 Cn1cnn(c1=O)[*:1] Cc1cccc(c1)C1=CC[NH+](CC1)C[*:1]
O=C(CCS(=O)(=O)c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] O=C(CCS(=O)(=O)c1ccccc1)N1CCN(CC1)C[*:1]
O=C(CCS(=O)(=O)c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1 c1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])N1CCN(CC1)Cc1ccc(Cl)s1
O=C(CCS(=O)(=O)c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(C[*:1])s1 O=C(CCS(=O)(=O)c1ccccc1)N1CCN(CC1)[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(Cl)cc1)CC(O)=N2 Clc1ccc(cc1)[*:1] Cc1nn(c2N=C(O)C[C@@H](c12)[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(Cl)cc1)CC(O)=N2 O=S1(=O)CC[C@@H](C1)[*:1] Cc1nn(c2N=C(O)C[C@@H](c3ccc(Cl)cc3)c12)[*:1]
Cc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)N1C(=O)c2ccc(n2C[C@]1(C)C(=O)NC1CCCC1)[*:1]
Cc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)cc1C C1CCC(C1)[*:1] Cc1ccc(cc1C)N1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[*:1]
Cc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)cc1C O=C(NC1CCCC1)[*:1] Cc1ccc(cc1C)N1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)[*:1]
Cc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)cc1C Cc1ccc(cc1C)[*:1] C[C@@]1(Cn2c(ccc2-c2ccco2)C(=O)N1[*:1])C(=O)NC1CCCC1
COc1ccccc1S(=O)(=O)[N-]c1nc(-c2ccco2)cs1 c1coc(c1)[*:1] COc1ccccc1S(=O)(=O)[N-]c1nc(cs1)[*:1]
C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C c1ccc(cc1)[*:1] C[C@@H]1CCC[C@H]([C@@H]1C)n1ccc2nc3ccn(CC[*:1])c(=O)c3cc2c1=O
C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C c1ccc(cc1)CC[*:1] C[C@@H]1CCC[C@H]([C@@H]1C)n1ccc2nc3ccn(c(=O)c3cc2c1=O)[*:1]
C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C c1ccc(cc1)C[*:1] C[C@@H]1CCC[C@H]([C@@H]1C)n1ccc2nc3ccn(C[*:1])c(=O)c3cc2c1=O
Cc1cc2nnc(S[C@@H](C)C#N)n2c2ccccc12 C[C@@H](C#N)S[*:1] Cc1cc2nnc(n2c2ccccc12)[*:1]
COc1ccc(NC(=O)CN2C(=O)C[C@@H](c3ccco3)Sc3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C(CN1C(=O)C[C@H](Sc2ccccc21)c1ccco1)N[*:1]
COc1ccc(NC(=O)CN2C(=O)C[C@@H](c3ccco3)Sc3ccccc32)cc1 c1coc(c1)[*:1] COc1ccc(cc1)NC(=O)CN1C(=O)C[C@@H](Sc2ccccc21)[*:1]
C[C@@H](CCOc1ccccc1)C(=O)N1CCC(OC2CCCCC2)CC1 C1CCC(CC1)O[*:1] C[C@@H](CCOc1ccccc1)C(=O)N1CCC(CC1)[*:1]
C[C@@H](CCOc1ccccc1)C(=O)N1CCC(OC2CCCCC2)CC1 c1ccc(cc1)[*:1] C[C@@H](CCO[*:1])C(=O)N1CCC(CC1)OC1CCCCC1
C[C@@H](CCOc1ccccc1)C(=O)N1CCC(OC2CCCCC2)CC1 c1ccc(cc1)O[*:1] C[C@@H](CC[*:1])C(=O)N1CCC(CC1)OC1CCCCC1
C[C@@H](CCOc1ccccc1)C(=O)N1CCC(OC2CCCCC2)CC1 c1ccc(cc1)OC[*:1] C[C@@H](C[*:1])C(=O)N1CCC(CC1)OC1CCCCC1
C[C@@H](CCOc1ccccc1)C(=O)N1CCC(OC2CCCCC2)CC1 C1CCC(CC1)[*:1] C[C@@H](CCOc1ccccc1)C(=O)N1CCC(CC1)O[*:1]
CCc1onc(C)c1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 CCc1onc(C)c1[*:1] O=C(N[*:1])[C@@H]1C[C@H]1c1cccc2ccccc12
Cc1cc(C)c(C#N)c(SCC#N)n1 N#CCS[*:1] Cc1cc(C)c(C#N)c(n1)[*:1]
Cc1cc(C)c(C#N)c(SCC#N)n1 N#CC[*:1] Cc1cc(C)c(C#N)c(n1)S[*:1]
O=C(COc1ccccc1)Nc1nc(-c2ccc(Br)cc2)ns1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1nc(ns1)-c1ccc(Br)cc1
O=C(COc1ccccc1)Nc1nc(-c2ccc(Br)cc2)ns1 Brc1ccc(cc1)[*:1] O=C(COc1ccccc1)Nc1nc(ns1)[*:1]
O=C(COc1ccccc1)Nc1nc(-c2ccc(Br)cc2)ns1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1nc(ns1)-c1ccc(Br)cc1
C[C@H](NC(=O)NC[C@H](O)C(C)(C)C)C(=O)N1CCCC[C@@H]1C CC(C)(C)[C@@H](O)C[*:1] C[C@H](NC(=O)N[*:1])C(=O)N1CCCC[C@@H]1C
C[C@H](NC(=O)NC[C@H](O)C(C)(C)C)C(=O)N1CCCC[C@@H]1C CC(C)(C)[*:1] C[C@H](NC(=O)NC[C@H](O)[*:1])C(=O)N1CCCC[C@@H]1C
C[C@H](NC(=O)NC[C@H](O)C(C)(C)C)C(=O)N1CCCC[C@@H]1C CC(C)(C)[C@@H](O)[*:1] C[C@H](NC(=O)NC[*:1])C(=O)N1CCCC[C@@H]1C
CC(=O)NC1(/C(N)=N/O)CCCCC1 CC(=O)N[*:1] N/C(=N\O)C1(CCCCC1)[*:1]
CC(=O)NC1(/C(N)=N/O)CCCCC1 N/C(=N\O)[*:1] CC(=O)NC1(CCCCC1)[*:1]
COc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)NC(=S)Nc1ccc(cc1)[*:1]
CNc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])CN1CC[C@@H](CN2CCOCC2)C1
CNc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] C1CN(CCO1)C[*:1] CNc1ccc(cc1[N+](=O)[O-])CN1CC[C@@H](C1)[*:1]
CNc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] C1CN(CCO1)[*:1] CNc1ccc(cc1[N+](=O)[O-])CN1CC[C@H](C1)C[*:1]
CNC(=O)NCC(=O)N[C@H]1CCc2c(F)cccc21 CNC(=O)N[*:1] O=C(C[*:1])N[C@H]1CCc2c(F)cccc21
CNC(=O)NCC(=O)N[C@H]1CCc2c(F)cccc21 CNC(=O)NC[*:1] O=C(N[C@H]1CCc2c(F)cccc21)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)N2CCC[C@H](O)C2)cc1 CN(C)C(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCC[C@H](O)C1
C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H](C)S1 FC(F)(F)[*:1] C[C@@H]1CN(C[C@@H](C)S1)c1nc(ccc1C#N)[*:1]
O=C(C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H]2C(=NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1)C(=O)[*:1]
O=C(C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccccc1 Brc1ccc(cc1)[*:1] O=C(C1=NN(c2ccccc2)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1])c1ccccc1
O=C(C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccccc1 c1ccc(cc1)[*:1] O=C(C1=NN([C@@H]2C(=O)N(C(=O)[C@H]12)c1ccc(Br)cc1)[*:1])c1ccccc1
CC(C)C[NH+]1CCC(NC(=O)NCCS(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)C[NH+]1CCC(CC1)NC(=O)NCCS(=O)(=O)[*:1]
CC(C)C[NH+]1CCC(NC(=O)NCCS(=O)(=O)c2ccccc2)CC1 CC(C)[*:1] O=C(NCCS(=O)(=O)c1ccccc1)NC1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCC(NC(=O)NCCS(=O)(=O)c2ccccc2)CC1 CC(C)C[*:1] O=C(NCCS(=O)(=O)c1ccccc1)NC1CC[NH+](CC1)[*:1]
COc1cccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])c1 CC(C)[*:1] COc1cccc(c1)S(=O)(=O)N[C@H](C[*:1])C(=O)[O-]
COc1cccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)S(=O)(=O)N[C@H](CC(C)C)[*:1]
COc1cccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])c1 CC(C)C[*:1] COc1cccc(c1)S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1[C@H](C)CCC2 CCOC(=O)[*:1] C[C@@H]1CCCc2sc(NC(=O)c3ccc(cc3Cl)[N+](=O)[O-])c(c21)[*:1]
CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1[C@H](C)CCC2 O=[N+]([O-])[*:1] CCOC(=O)c1c(NC(=O)c2ccc(cc2Cl)[*:1])sc2CCC[C@@H](C)c21
C[C@H]1C[C@@H]([NH2+]C[C@H](O)C2CCCC2)c2ccccc2S1 C1CCC(C1)[*:1] C[C@H]1C[C@@H]([NH2+]C[C@H](O)[*:1])c2ccccc2S1
CCC[NH+](Cc1cnc(NCC)s1)C1CC1 CCN[*:1] CCC[NH+](Cc1cnc(s1)[*:1])C1CC1
CCC[NH+](Cc1cnc(NCC)s1)C1CC1 CCC[*:1] CCNc1ncc(C[NH+](C2CC2)[*:1])s1
CCC[NH+](Cc1cnc(NCC)s1)C1CC1 C1CC1[*:1] CCC[NH+](Cc1cnc(NCC)s1)[*:1]
Cc1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CC2)c1C C1CC1[*:1] Cc1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2[*:1])c1C
Cc1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CC2)c1C Cc1cccc(c1C)[*:1] O=C(C[C@@H]1SC(=N[*:1])N(C1=O)C1CC1)Nc1ccc(F)cc1F
Cc1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C2CC2)c1C Fc1ccc(c(F)c1)[*:1] Cc1cccc(/N=C2\S[C@@H](CC(=O)N[*:1])C(=O)N2C2CC2)c1C
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nnc(-c4cc(Cl)ccc4Cl)o3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1cc(Cl)ccc1Cl)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nnc(-c4cc(Cl)ccc4Cl)o3)C2)cc1 Clc1ccc(Cl)c(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1nnc(o1)[*:1]
O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCC[C@H]2CCC[C@H]21 c1csc(c1)[*:1] O=C(Cn1cnc2scc(c2c1=O)[*:1])N1CCC[C@H]2CCC[C@H]21
C[C@@H](C(=O)NCC1CCC(C)(C)CC1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)NCC1CCC(C)(C)CC1)[*:1]
O=C1COc2ccc(C(=O)Oc3ccccc3F)cc2N1 Fc1ccccc1[*:1] O=C1COc2ccc(cc2N1)C(=O)O[*:1]
O=C(/C=C/c1ccc(F)cc1)NC(=S)NCCc1ccccc1 Fc1ccc(cc1)[*:1] O=C(C=C[*:1])NC(=S)NCCc1ccccc1
O=C(/C=C/c1ccc(F)cc1)NC(=S)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccc(F)cc1)NC(=S)NCC[*:1]
O=C(/C=C/c1ccc(F)cc1)NC(=S)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(/C=C/c1ccc(F)cc1)NC(=S)NC[*:1]
O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CCCCO1 O=C(N1CCCCO1)[*:1] c1ccc(cc1)-c1nc2CCCc2c(n1)N1CCC(CC1)[*:1]
O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CCCCO1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)c1nc(nc2CCCc21)[*:1])N1CCCCO1
Cc1ccoc1C(=O)N1CCC([C@@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 c1ccc(nc1)[*:1] Cc1ccoc1C(=O)N1CCC(CC1)[C@@]1(CCC(C)C)NC(=O)N(C[*:1])C1=O
Cc1ccoc1C(=O)N1CCC([C@@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 CC(C)[*:1] Cc1ccoc1C(=O)N1CCC(CC1)[C@@]1(CC[*:1])NC(=O)N(Cc2ccccn2)C1=O
Cc1ccoc1C(=O)N1CCC([C@@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 Cc1ccoc1[*:1] CC(C)CC[C@@]1(NC(=O)N(Cc2ccccn2)C1=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccoc1C(=O)N1CCC([C@@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 CC(C)C[*:1] Cc1ccoc1C(=O)N1CCC(CC1)[C@@]1(C[*:1])NC(=O)N(Cc2ccccn2)C1=O
Cc1ccoc1C(=O)N1CCC([C@@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 CC(C)CC[*:1] Cc1ccoc1C(=O)N1CCC(CC1)[C@]1(NC(=O)N(Cc2ccccn2)C1=O)[*:1]
Cc1ccoc1C(=O)N1CCC([C@@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1 c1ccc(C[*:1])nc1 Cc1ccoc1C(=O)N1CCC(CC1)[C@@]1(CCC(C)C)NC(=O)N(C1=O)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)C[C@@H](c1ccc(Cl)cc1)[*:1])[N+](=O)[O-]
CC(=O)N[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1cc(ccc1C)[N+](=O)[O-])[*:1]
CC(=O)N[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 O=[N+]([O-])[*:1] CC(=O)N[C@@H](CC(=O)Nc1cc(ccc1C)[*:1])c1ccc(Cl)cc1
CSc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CSc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 CSc1cccc(c1)[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1ccc(N2C(=O)C(=O)[C@H]2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C(=O)[C@@H]1[*:1]
CCC[NH2+][C@H](Cc1cnn(CC)c1)c1ncc[nH]1 c1c[nH]c(n1)[*:1] CCC[NH2+][C@H](Cc1cnn(c1)CC)[*:1]
CCC[NH2+][C@H](Cc1cnn(CC)c1)c1ncc[nH]1 CCC[*:1] CCn1cc(cn1)C[C@@H]([NH2+][*:1])c1ncc[nH]1
COc1cccc([C@H](CO)NC(=O)[C@@H](C)NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 COc1cccc(c1)[C@H](CO)NC(=O)[C@@H](C)[*:1]
COc1cccc([C@H](CO)NC(=O)[C@@H](C)NC(=O)c2cccs2)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](CO)[*:1]
COc1cccc([C@H](CO)NC(=O)[C@@H](C)NC(=O)c2cccs2)c1 c1csc(c1)[*:1] COc1cccc(c1)[C@H](CO)NC(=O)[C@@H](C)NC(=O)[*:1]
COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1cccc(Cl)c1 COC(=O)[*:1] CC1OC(=C(C#N)[C@H](C=1[*:1])c1cccc(Cl)c1)n1cccc1
COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)C1=C(C)OC(=C(C#N)[C@@H]1[*:1])n1cccc1
COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1cccc(Cl)c1 c1ccn(c1)[*:1] COC(=O)C1=C(C)OC(=C(C#N)[C@H]1c1cccc(Cl)c1)[*:1]
Cc1ccc2c(c1)N(C(=O)c1ccc(Cl)c(N3CCNC3=O)c1)CC2 O=C1NCCN1[*:1] Cc1ccc2CCN(C(=O)c3ccc(Cl)c(c3)[*:1])c2c1
CCOc1ccc(CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 CCOc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC[C@@H]1c1ncc2C[NH2+]CCc2n1
CCOc1ccc(CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCC[C@@H]1c1ncc2C[NH2+]CCc2n1
Cc1ccc([C@@H]([NH3+])c2n[nH]c(Cn3cncn3)n2)cc1 c1ncn(C[*:1])n1 Cc1ccc(cc1)[C@@H]([NH3+])c1n[nH]c(n1)[*:1]
Cc1ccc([C@@H]([NH3+])c2n[nH]c(Cn3cncn3)n2)cc1 c1ncn(n1)[*:1] Cc1ccc(cc1)[C@@H]([NH3+])c1n[nH]c(C[*:1])n1
Cc1ccccc1COC1CCN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CC1 Cc1ccccc1C[*:1] CN(C)c1ccc(cn1)NC(=O)C(=O)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CC1 Cc1ccccc1CO[*:1] CN(C)c1ccc(cn1)NC(=O)C(=O)N1CCC(CC1)[*:1]
Cc1ccccc1COC1CCN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CC1 CN(C)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)C(=O)Nc1ccc(nc1)[*:1]
Cc1ccccc1COC1CCN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CC1 Cc1ccccc1[*:1] CN(C)c1ccc(cn1)NC(=O)C(=O)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CC1 CN(C)c1ccc(cn1)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)C(=O)N[*:1]
[NH3+][C@H]1CC[C@@H](OCc2ccc([N+](=O)[O-])c(F)c2)C1 O=[N+]([O-])[*:1] [NH3+][C@H]1CC[C@H](C1)OCc1ccc(c(F)c1)[*:1]
CC(C)CNC(=O)C1([NH2+]Cc2nnnn2C2CC2)CCCC1 C1CC1[*:1] CC(C)CNC(=O)C1(CCCC1)[NH2+]Cc1nnnn1[*:1]
CC(C)CNC(=O)C1([NH2+]Cc2nnnn2C2CC2)CCCC1 CC(C)[*:1] O=C(NC[*:1])C1(CCCC1)[NH2+]Cc1nnnn1C1CC1
CC(C)CNC(=O)C1([NH2+]Cc2nnnn2C2CC2)CCCC1 CC(C)C[*:1] O=C(N[*:1])C1(CCCC1)[NH2+]Cc1nnnn1C1CC1
CC(C)CNC(=O)C1([NH2+]Cc2nnnn2C2CC2)CCCC1 CC(C)CNC(=O)[*:1] C1CCC(C1)([NH2+]Cc1nnnn1C1CC1)[*:1]
CCS(=O)(=O)N1CCC(NC(=O)C2CCC2)CC1 C1CC(C1)[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)n1 Cc1csc(n1)[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H](C)[*:1]
[NH3+][C@@H](c1ccc(Br)o1)[C@@H]1CCCc2ccccc21 Brc1ccc(o1)[*:1] [NH3+][C@@H]([C@@H]1CCCc2ccccc21)[*:1]
CCOC(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3C[C@H]2C)CC1 CCOC(=O)[*:1] CC1=NC(C)=C([C@@H]1S(=O)(=O)N1CCC(CC1)C(=O)N1c2ccccc2C[C@H]1C)[*:1]
Cn1ncc(N)c1NC(=O)[C@H]1CCCS1 C1CS[C@H](C1)[*:1] Cn1ncc(N)c1NC(=O)[*:1]
Cc1cc2[nH]ccc2[nH+]c1C(=O)[O-] O=C([O-])[*:1] Cc1cc2[nH]ccc2[nH+]c1[*:1]
Fc1cccc(CNc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c1 Fc1cccc(c1)C[*:1] c1ccc(cc1)-c1nnn(CCc2ccc(cc2)N[*:1])n1
Fc1cccc(CNc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c1 Fc1cccc(c1)[*:1] c1ccc(cc1)-c1nnn(CCc2ccc(cc2)NC[*:1])n1
Fc1cccc(CNc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c1 Fc1cccc(c1)CN[*:1] c1ccc(cc1)-c1nnn(CCc2ccc(cc2)[*:1])n1
Fc1cccc(CNc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c1 c1ccc(cc1)[*:1] Fc1cccc(c1)CNc1ccc(cc1)CCn1nnc(n1)[*:1]
Cc1ccccc1C(=O)NCCC(=O)OCc1scnc1C Cc1ncsc1C[*:1] Cc1ccccc1C(=O)NCCC(=O)O[*:1]
Cc1ccccc1C(=O)NCCC(=O)OCc1scnc1C Cc1ncsc1[*:1] Cc1ccccc1C(=O)NCCC(=O)OC[*:1]
Cc1ccccc1C(=O)NCCC(=O)OCc1scnc1C Cc1ccccc1[*:1] Cc1ncsc1COC(=O)CCNC(=O)[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3sccc3C(N)=O)CC2)cc1 CS(=O)(=O)[*:1] NC(=O)c1ccsc1NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3sccc3C(N)=O)CC2)cc1 NC(=O)[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1sccc1[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3sccc3C(N)=O)CC2)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] NC(=O)c1ccsc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3sccc3C(N)=O)CC2)cc1 NC(=O)c1ccsc1[*:1] CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@H](NC(=O)c1ncccc1C(F)(F)F)c1nc2ccccc2[nH]1 FC(F)(F)[*:1] C[C@H](NC(=O)c1ncccc1[*:1])c1nc2ccccc2[nH]1
C[NH+]1CCN(c2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3s2)CC1 Brc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1nc2ccc(cc2s1)NC(=O)[*:1]
C[C@H](CC(=O)Nc1ccc(C#N)cn1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)Nc1ccc(C#N)cn1)C[*:1]
N#Cc1c(NC(=O)c2ccccc2OC(F)F)sc2c1CCC2 FC(F)[*:1] N#Cc1c(NC(=O)c2ccccc2O[*:1])sc2CCCc21
N#Cc1c(NC(=O)c2ccccc2OC(F)F)sc2c1CCC2 FC(F)O[*:1] N#Cc1c(NC(=O)c2ccccc2[*:1])sc2CCCc21
Cc1noc(C)c1C[C@H](C)NC(=O)NCc1cccc(C(F)(F)F)c1 Cc1noc(C)c1C[*:1] C[C@H](NC(=O)NCc1cccc(c1)C(F)(F)F)[*:1]
Cc1noc(C)c1C[C@H](C)NC(=O)NCc1cccc(C(F)(F)F)c1 Cc1noc(C)c1[*:1] C[C@@H](C[*:1])NC(=O)NCc1cccc(c1)C(F)(F)F
Cc1noc(C)c1C[C@H](C)NC(=O)NCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1noc(C)c1C[C@H](C)NC(=O)NCc1cccc(c1)[*:1]
C[C@H]1CC(=O)N(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1=O FC(F)(F)[*:1] C[C@H]1CC(=O)N(CC(=O)NCc2ccc(F)cc2[*:1])C1=O
N#C/C(C(=O)NC1CCCC1)=C(/[O-])c1csc(-c2ccccc2)n1 C1CCC(C1)[*:1] N#C/C(C(=O)N[*:1])=C(/[O-])c1csc(n1)-c1ccccc1
N#C/C(C(=O)NC1CCCC1)=C(/[O-])c1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] N#C/C(C(=O)NC1CCCC1)=C(/[O-])c1csc(n1)[*:1]
N#C/C(C(=O)NC1CCCC1)=C(/[O-])c1csc(-c2ccccc2)n1 O=C(NC1CCCC1)[*:1] N#CC(=C([O-])c1csc(n1)-c1ccccc1)[*:1]
Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)c1C Fc1ccc(cc1)C[*:1] Cc1cccc(OCC(=O)N(c2ccccn2)[*:1])c1C
Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)c1C Cc1cccc(c1C)[*:1] O=C(CO[*:1])N(Cc1ccc(F)cc1)c1ccccn1
Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)c1C c1ccc(nc1)[*:1] Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)[*:1])c1C
Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(OCC(=O)N(C[*:1])c2ccccn2)c1C
Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)c1C Cc1cccc(O[*:1])c1C O=C(C[*:1])N(Cc1ccc(F)cc1)c1ccccn1
CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3)cnn21 CCO[*:1] O=C([O-])C1C[C@H](c2ccccc2[*:1])n2ncc(C(=O)Nc3ccccc3)c2N=1
CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3)cnn21 c1ccc(cc1)[*:1] CCOc1ccccc1[C@H]1CC(=Nc2c(cnn21)C(=O)N[*:1])C(=O)[O-]
CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3)cnn21 O=C(Nc1ccccc1)[*:1] CCOc1ccccc1[C@H]1CC(=Nc2c(cnn21)[*:1])C(=O)[O-]
CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3)cnn21 CCOc1ccccc1[*:1] O=C([O-])C1C[C@@H](n2ncc(C(=O)Nc3ccccc3)c2N=1)[*:1]
O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)[*:1] O=C(Cn1nc(c(Cl)c1C1CC1)C(F)(F)F)N1N=C(C[C@]1(O)[*:1])C(F)F
O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)(F)[*:1] O=C(Cn1nc(c(Cl)c1C1CC1)[*:1])N1N=C(C[C@@]1(O)C(F)F)C(F)F
O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)[*:1] O=C(Cn1nc(c(Cl)c1C1CC1)C(F)(F)F)N1N=C(C[C@@]1(O)C(F)F)[*:1]
O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1N=C(C(F)F)C[C@@]1(O)C(F)F C1CC1[*:1] O=C(Cn1nc(c(Cl)c1[*:1])C(F)(F)F)N1N=C(C[C@@]1(O)C(F)F)C(F)F
COc1c(NC(=O)/C=C/c2cnc(C(C)(C)C)s2)c(C)nn1C CC(C)(C)[*:1] COc1c(NC(=O)/C=C/c2cnc(s2)[*:1])c(C)nn1C
Cc1ccc(C(N)=[NH2+])c(N(C)C2CCC(C)(C)CC2)c1 NC(=[NH2+])[*:1] Cc1ccc(c(c1)N(C)C1CCC(C)(C)CC1)[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C)no1 CC(C)(C)[*:1] COc1ccc(cc1NC(=O)c1cc(C)no1)[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C)no1 Cc1cc(on1)[*:1] COc1ccc(cc1NC(=O)[*:1])C(C)(C)C
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])CN1C(=O)c2cccnc2C1=O
CCCCc1[nH]cc(CN2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)[nH+]1 CCCC[*:1] O=C(C1CC[NH+](CC1)C1CCN(CC1)Cc1c[nH]c([nH+]1)[*:1])N1CCOCC1
CCCCc1[nH]cc(CN2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)[nH+]1 CCC[*:1] O=C(C1CC[NH+](CC1)C1CCN(CC1)Cc1c[nH]c(C[*:1])[nH+]1)N1CCOCC1
CCCCc1[nH]cc(CN2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)[nH+]1 O=C(N1CCOCC1)[*:1] CCCCc1[nH]cc(CN2CCC(CC2)[NH+]2CCC(CC2)[*:1])[nH+]1
CCCCc1[nH]cc(CN2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)[nH+]1 CCCCc1[nH]cc(C[*:1])[nH+]1 O=C(C1CC[NH+](CC1)C1CCN(CC1)[*:1])N1CCOCC1
Cc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O Cc1ccccc1[*:1] O=C1NC(=O)c2cc(ccc21)NC(=O)[*:1]
COc1ccccc1-c1cc(=O)[nH]c(N2CCN(c3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] COc1ccccc1-c1cc(=O)[nH]c(n1)N1CCN(CC1)[*:1]
COc1ccccc1-c1cc(=O)[nH]c(N2CCN(c3ccc(F)cc3)CC2)n1 COc1ccccc1[*:1] O=c1cc(nc([nH]1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
CC(=O)NCCSc1cc(Cl)ccc1N CC(=O)NC[*:1] Nc1ccc(Cl)cc1SC[*:1]
CC(=O)NCCSc1cc(Cl)ccc1N CC(=O)N[*:1] Nc1ccc(Cl)cc1SCC[*:1]
Cc1cccc(OC[C@@H](O)Cn2cnc(C3CCC3)cc2=O)c1 C1CC(C1)[*:1] Cc1cccc(c1)OC[C@@H](O)Cn1cnc(cc1=O)[*:1]
Cc1cccc(OC[C@@H](O)Cn2cnc(C3CCC3)cc2=O)c1 Cc1cccc(c1)[*:1] O=c1cc(ncn1C[C@H](O)CO[*:1])C1CCC1
C[C@H](NC(=O)[C@H](C)c1cccs1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@H](NC(=O)[C@H](C)c1cccs1)c1ccccc1[*:1]
C[C@H](NC(=O)[C@H](C)c1cccs1)c1ccccc1C(F)(F)F C[C@H](c1cccs1)[*:1] C[C@H](NC(=O)[*:1])c1ccccc1C(F)(F)F
C[C@H](NC(=O)[C@H](C)c1cccs1)c1ccccc1C(F)(F)F c1csc(c1)[*:1] C[C@H](NC(=O)[C@H](C)[*:1])c1ccccc1C(F)(F)F
Cc1nc(Oc2cccc(C(N)=O)c2)c2c(CC(C)C)csc2n1 CC(C)C[*:1] Cc1nc(Oc2cccc(c2)C(N)=O)c2c(csc2n1)[*:1]
Cc1nc(Oc2cccc(C(N)=O)c2)c2c(CC(C)C)csc2n1 CC(C)[*:1] Cc1nc(Oc2cccc(c2)C(N)=O)c2c(csc2n1)C[*:1]
Cc1nc(Oc2cccc(C(N)=O)c2)c2c(CC(C)C)csc2n1 NC(=O)[*:1] Cc1nc(Oc2cccc(c2)[*:1])c2c(csc2n1)CC(C)C
CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)cnc3ccccc32)C1 CCOC(=O)[*:1] O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@@H](C1)[*:1]
CCN(C(=O)[C@@H](C)c1cccs1)c1cc(C)ccc1C c1csc(c1)[*:1] CCN(C(=O)[C@@H](C)[*:1])c1cc(C)ccc1C
CCCN[C@@]1(C#N)CC[C@@H](N(C)CCS(C)(=O)=O)C1 CCC[*:1] CN(CCS(C)(=O)=O)[C@@H]1CC[C@@](C#N)(C1)N[*:1]
CCCN[C@@]1(C#N)CC[C@@H](N(C)CCS(C)(=O)=O)C1 CS(=O)(=O)C[*:1] CCCN[C@@]1(C#N)CC[C@H](C1)N(C)C[*:1]
CCCN[C@@]1(C#N)CC[C@@H](N(C)CCS(C)(=O)=O)C1 CCCN[*:1] CN(CCS(C)(=O)=O)[C@@H]1CC[C@](C#N)(C1)[*:1]
CCCN[C@@]1(C#N)CC[C@@H](N(C)CCS(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCCN[C@@]1(C#N)CC[C@H](C1)N(C)CC[*:1]
CCCN[C@@]1(C#N)CC[C@@H](N(C)CCS(C)(=O)=O)C1 CS(=O)(=O)CC[*:1] CCCN[C@@]1(C#N)CC[C@H](C1)N(C)[*:1]
CNC(=O)C(C)(C)CNC(=O)N1CCc2cc(C)ccc21 CNC(=O)C(C)(C)[*:1] Cc1ccc2c(c1)CCN2C(=O)NC[*:1]
CNC(=O)C(C)(C)CNC(=O)N1CCc2cc(C)ccc21 CNC(=O)[*:1] Cc1ccc2c(c1)CCN2C(=O)NCC(C)(C)[*:1]
CCc1ccc(CNC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)cc1 CCc1ccc(cc1)C[*:1] Cc1cc2nc(C)c(=O)n(CCC(=O)N[*:1])c2cc1C
CCc1ccc(CNC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)cc1 CCc1ccc(cc1)[*:1] Cc1cc2nc(C)c(=O)n(CCC(=O)NC[*:1])c2cc1C
Cc1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)NC[C@@H]1CCS(=O)(=O)C1
CCOc1cc(/C=C/C(=O)N2CCC[C@@H](CNC(C)=O)C2)cc(Cl)c1OC CC(=O)N[*:1] CCOc1cc(/C=C/C(=O)N2CCC[C@H](C2)C[*:1])cc(Cl)c1OC
CCOc1cc(/C=C/C(=O)N2CCC[C@@H](CNC(C)=O)C2)cc(Cl)c1OC CC(=O)NC[*:1] CCOc1cc(/C=C/C(=O)N2CCC[C@@H](C2)[*:1])cc(Cl)c1OC
CCOc1cc(/C=C/C(=O)N2CCC[C@@H](CNC(C)=O)C2)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(/C=C/C(=O)N2CCC[C@@H](CNC(C)=O)C2)cc1[*:1]
CC[C@H](NC(=O)N[C@@H](C)c1ccncc1)c1ccc2c(c1)OCCO2 C[C@@H](c1ccncc1)[*:1] CC[C@H](NC(=O)N[*:1])c1ccc2OCCOc2c1
CC[C@H](NC(=O)N[C@@H](C)c1ccncc1)c1ccc2c(c1)OCCO2 c1cc(ccn1)[*:1] CC[C@H](NC(=O)N[C@@H](C)[*:1])c1ccc2OCCOc2c1
COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])-c1cnc(C)o1
COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1ccc(F)cc1Cl Cc1ncc(o1)[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(F)cc1Cl)[*:1]
C=CCn1c(SCc2cc(=O)oc3cc(CC)c(Cl)cc23)nnc1C1CC1 C=CC[*:1] CCc1cc2oc(=O)cc(CSc3nnc(C4CC4)n3[*:1])c2cc1Cl
C=CCn1c(SCc2cc(=O)oc3cc(CC)c(Cl)cc23)nnc1C1CC1 C1CC1[*:1] C=CCn1c(nnc1[*:1])SCc1cc(=O)oc2cc(CC)c(Cl)cc12
CCOC(=O)CC[C@@H](C)NC(=O)N1C[C@@H](C)C[C@H](C)C1 CCOC(=O)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)N[C@H](C)CC[*:1]
CCOC(=O)CC[C@@H](C)NC(=O)N1C[C@@H](C)C[C@H](C)C1 CCOC(=O)C[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)N[C@H](C)C[*:1]
O=C1NCCN(Cc2cccc3c2OCCCO3)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C1NCCN(Cc2cccc3OCCCOc23)[C@H]1[*:1]
Cc1ccc(-c2oc3ccccc3c(=O)c2O[C@H](C)C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@H](C)C(=O)Nc1sc(C)c(C)c1[*:1]
Cc1ccc(-c2oc3ccccc3c(=O)c2O[C@H](C)C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 Cc1sc(c(C(N)=O)c1C)[*:1] Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O[C@H](C)C(=O)N[*:1]
Cc1ccc(-c2oc3ccccc3c(=O)c2O[C@H](C)C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 Cc1ccc(cc1)[*:1] Cc1sc(NC(=O)[C@@H](C)Oc2c(oc3ccccc3c2=O)[*:1])c(C(N)=O)c1C
COc1ccc2c(c1)CCC[C@H]2C/C([O-])=N/S(=O)(=O)c1c(C)noc1C Cc1noc(C)c1[*:1] COc1ccc2c(c1)CCC[C@H]2C/C([O-])=N/S(=O)(=O)[*:1]
CC(C)(C)[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)[*:1]
CC(C)(C)[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1 CC(C)(C)[*:1] O=C(NNC(=O)[C@@H]1CCCO1)N[C@@H](c1ccccc1)[*:1]
CC(C)(C)[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)[*:1] CC(C)(C)[C@@H](NC(=O)NNC(=O)[*:1])c1ccccc1
COC[C@@H](C)NC(=O)CN1CCCC[C@@H]1C(=O)OC COC(=O)[*:1] COC[C@@H](C)NC(=O)CN1CCCC[C@H]1[*:1]
COC[C@@H](C)NC(=O)CN1CCCC[C@@H]1C(=O)OC COC[C@@H](C)[*:1] COC(=O)[C@H]1CCCCN1CC(=O)N[*:1]
COC[C@@H](C)NC(=O)CN1CCCC[C@@H]1C(=O)OC COC[*:1] COC(=O)[C@H]1CCCCN1CC(=O)N[C@H](C)[*:1]
Cc1noc([C@@H]2CCCN2C(=O)c2sc(C)nc2C)n1 Cc1noc(n1)[*:1] Cc1nc(C)c(s1)C(=O)N1CCC[C@H]1[*:1]
CCCNC(=O)C1CCN(C(=O)NCc2cc(F)cc(OC)c2)CC1 CCCNC(=O)[*:1] COc1cc(F)cc(c1)CNC(=O)N1CCC(CC1)[*:1]
CCCNC(=O)C1CCN(C(=O)NCc2cc(F)cc(OC)c2)CC1 CCC[*:1] COc1cc(F)cc(c1)CNC(=O)N1CCC(CC1)C(=O)N[*:1]
C[NH+](CC(=O)Nc1ccccc1Br)CC(=O)N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1[*:1] C[NH+](CC(=O)Nc1ccccc1Br)CC(=O)N1CCN(CC1)C[*:1]
C[NH+](CC(=O)Nc1ccccc1Br)CC(=O)N1CCN(Cc2ccccc2F)CC1 Brc1ccccc1[*:1] C[NH+](CC(=O)N[*:1])CC(=O)N1CCN(CC1)Cc1ccccc1F
C[NH+](CC(=O)Nc1ccccc1Br)CC(=O)N1CCN(Cc2ccccc2F)CC1 O=C(Nc1ccccc1Br)[*:1] C[NH+](CC(=O)N1CCN(CC1)Cc1ccccc1F)C[*:1]
C[NH+](CC(=O)Nc1ccccc1Br)CC(=O)N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] C[NH+](CC(=O)Nc1ccccc1Br)CC(=O)N1CCN(CC1)[*:1]
CCC[C@H](NC(=O)c1cncc(Br)c1)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1cncc(Br)c1)[*:1]
CCC[C@H](NC(=O)c1cncc(Br)c1)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1cncc(Br)c1)[*:1]
CCCOc1cc(C)ccc1CNC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] CCCOc1cc(C)ccc1CNC(=O)[*:1]
CCCOc1cc(C)ccc1CNC(=O)Cc1ccc[nH]1 CCC[*:1] Cc1ccc(CNC(=O)Cc2ccc[nH]2)c(c1)O[*:1]
CCCOc1cc(C)ccc1CNC(=O)Cc1ccc[nH]1 CCCO[*:1] Cc1ccc(CNC(=O)Cc2ccc[nH]2)c(c1)[*:1]
CCCOc1cc(C)ccc1CNC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] CCCOc1cc(C)ccc1CNC(=O)C[*:1]
C[C@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C[C@@H](C)O1 O=C([O-])[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)N[C@H]([C@@H](C)O)[*:1]
C[C@H]1CN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C[C@@H](C)O1 C[C@@H](O)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
Cc1ccc(-c2nc3sc(N(C)CC(=O)N4CCOCC4)nn3c2NC(C)(C)C)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)-c1nc2sc(nn2c1NC(C)(C)C)N(C)C[*:1]
Cc1ccc(-c2nc3sc(N(C)CC(=O)N4CCOCC4)nn3c2NC(C)(C)C)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N1CCOCC1)c1nn2c(NC(C)(C)C)c(nc2s1)[*:1]
Cc1ccc(-c2nc3sc(N(C)CC(=O)N4CCOCC4)nn3c2NC(C)(C)C)cc1 O=C(C[*:1])N1CCOCC1 Cc1ccc(cc1)-c1nc2sc(nn2c1NC(C)(C)C)N(C)[*:1]
Cc1ccc(-c2nc3sc(N(C)CC(=O)N4CCOCC4)nn3c2NC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)-c1nc2sc(nn2c1N[*:1])N(C)CC(=O)N1CCOCC1
Cc1ccc(-c2nc3sc(N(C)CC(=O)N4CCOCC4)nn3c2NC(C)(C)C)cc1 CC(C)(C)N[*:1] Cc1ccc(cc1)-c1nc2sc(nn2c1[*:1])N(C)CC(=O)N1CCOCC1
Cc1ccc(C(=O)NCCNc2nc(C)nc3c2c(C)nn3-c2ccccc2Cl)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)C(=O)NCCNc1nc(C)nc2c1c(C)nn2[*:1]
Cc1ccc(C(=O)NCCNc2nc(C)nc3c2c(C)nn3-c2ccccc2Cl)cc1 Cc1ccc(cc1)[*:1] Cc1nc(NCCNC(=O)[*:1])c2c(C)nn(-c3ccccc3Cl)c2n1
Cc1ccc(C(=O)NCCNc2nc(C)nc3c2c(C)nn3-c2ccccc2Cl)cc1 Cc1ccc(cc1)C(=O)N[*:1] Cc1nc(NCC[*:1])c2c(C)nn(-c3ccccc3Cl)c2n1
Cc1ncccc1NC(=O)NCc1csc(C(C)(C)C)n1 CC(C)(C)[*:1] Cc1ncccc1NC(=O)NCc1csc(n1)[*:1]
Cc1ncccc1NC(=O)NCc1csc(C(C)(C)C)n1 Cc1ncccc1[*:1] CC(C)(C)c1nc(cs1)CNC(=O)N[*:1]
C#CCn1cc(CN(C)C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cn1 C#CCn1cc(cn1)[*:1] CN(C[*:1])C(=O)NC[C@@H]1CCCN(C1)c1ncccn1
C#CCn1cc(CN(C)C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cn1 C#CC[*:1] CN(Cc1cnn(c1)[*:1])C(=O)NC[C@@H]1CCCN(C1)c1ncccn1
C#CCn1cc(CN(C)C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cn1 c1cnc(nc1)[*:1] C#CCn1cc(cn1)CN(C)C(=O)NC[C@@H]1CCCN(C1)[*:1]
C#CCn1cc(CN(C)C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cn1 C#CCn1cc(cn1)C[*:1] CN(C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)[*:1]
COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)nn1 COc1ccc(nn1)[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCCCC1
COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)nn1 O=C(N1CCCCC1)[*:1] COc1ccc(nn1)C(=O)Nc1ccccc1[*:1]
CC(C)(C)c1cc(=O)[nH]c2cc(NC(=O)CN3C(=O)CCC3=O)ccc12 CC(C)(C)[*:1] O=C(CN1C(=O)CCC1=O)Nc1ccc2c(cc(=O)[nH]c2c1)[*:1]
CC(C)(C)c1cc(=O)[nH]c2cc(NC(=O)CN3C(=O)CCC3=O)ccc12 O=C1CCC(=O)N1[*:1] CC(C)(C)c1cc(=O)[nH]c2cc(ccc12)NC(=O)C[*:1]
CC(C)(C)c1cc(=O)[nH]c2cc(NC(=O)CN3C(=O)CCC3=O)ccc12 O=C1CCC(=O)N1C[*:1] CC(C)(C)c1cc(=O)[nH]c2cc(ccc12)NC(=O)[*:1]
C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccccc1Cl Clc1ccc(cc1)[*:1] C[C@@H](NCC(=O)N[*:1])c1ccccc1Cl
C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)[*:1]
O=C(c1occc1Br)N1CCSC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(c1occc1Br)N1CCSC[C@@H]1[*:1]
O=C(c1occc1Br)N1CCSC[C@H]1c1ccccc1 Brc1ccoc1[*:1] O=C(N1CCSC[C@H]1c1ccccc1)[*:1]
Cn1ccc([C@H](NC(=O)c2ccnc(OC(C)(C)C)c2)C(F)(F)F)c1 CC(C)(C)[*:1] Cn1ccc(c1)[C@H](NC(=O)c1ccnc(c1)O[*:1])C(F)(F)F
Cn1ccc([C@H](NC(=O)c2ccnc(OC(C)(C)C)c2)C(F)(F)F)c1 CC(C)(C)O[*:1] Cn1ccc(c1)[C@H](NC(=O)c1ccnc(c1)[*:1])C(F)(F)F
Cn1ccc([C@H](NC(=O)c2ccnc(OC(C)(C)C)c2)C(F)(F)F)c1 Cn1ccc(c1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N[C@H](C(F)(F)F)[*:1]
Cn1ccc([C@H](NC(=O)c2ccnc(OC(C)(C)C)c2)C(F)(F)F)c1 FC(F)(F)[*:1] Cn1ccc(c1)[C@H](NC(=O)c1ccnc(c1)OC(C)(C)C)[*:1]
CCN(C(=O)Nc1c(C)cccc1C(=O)N1CCCC1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)Nc1c(C)cccc1C(=O)N1CCCC1)[*:1]
CCN(C(=O)Nc1c(C)cccc1C(=O)N1CCCC1)C1CCCCC1 O=C(N1CCCC1)[*:1] CCN(C(=O)Nc1c(C)cccc1[*:1])C1CCCCC1
CCCCn1c([O-])c(C(=O)N/N=C/c2cccc(F)c2)c(=O)c2ccccc21 CCC[*:1] O=C(N/N=C/c1cccc(F)c1)c1c([O-])n(C[*:1])c2ccccc2c1=O
CCCCn1c([O-])c(C(=O)N/N=C/c2cccc(F)c2)c(=O)c2ccccc21 CCCC[*:1] O=C(N/N=C/c1cccc(F)c1)c1c([O-])n(c2ccccc2c1=O)[*:1]
CCCCn1c([O-])c(C(=O)N/N=C/c2cccc(F)c2)c(=O)c2ccccc21 Fc1cccc(c1)[*:1] CCCCn1c([O-])c(C(=O)NN=C[*:1])c(=O)c2ccccc21
CCc1nc(N2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)no1 c1ccc(cc1)[*:1] CCc1nc(no1)N1CCC2(CC1)CC(=O)N(CC=C[*:1])C2
CCc1nc(N2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)no1 C(=C/c1ccccc1)\C[*:1] CCc1nc(no1)N1CCC2(CC1)CC(=O)N(C2)[*:1]
CCc1nc(N2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)no1 CCc1nc(no1)[*:1] O=C1CC2(CCN(CC2)[*:1])CN1C/C=C/c1ccccc1
CCc1nc(N2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)no1 C(=C[*:1])c1ccccc1 CCc1nc(no1)N1CCC2(CC1)CC(=O)N(C2)C[*:1]
C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](OC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCCC1 O=[N+]([O-])[*:1] C[C@@H](OC(=O)c1cccc(c1)[*:1])C(=O)NC1CCCCC1
Cc1ccc(-c2cnc(C[NH2+]C[C@H]3C[C@@H]4C=C[C@H]3C4)s2)s1 Cc1ccc(s1)[*:1] C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]Cc1ncc(s1)[*:1]
COc1ccc(CCNC(=O)[C@@H]2CCCN(C3=NC=NC4=NC=N[C@@H]43)C2)cc1 COc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C1=NC=NC2=NC=N[C@@H]21
COc1ccc(CCNC(=O)[C@@H]2CCCN(C3=NC=NC4=NC=N[C@@H]43)C2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)C1=NC=NC2=NC=N[C@@H]21
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1[*:1])NC(=O)C(=O)Nc1ccc(C#N)cc1
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)CN1c1ccccc1 N#Cc1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)C(=O)N[*:1]
Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCC(C)CC1)C(=O)N[*:1]
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)C(=O)C1 CC(C)(C)[*:1] O=C1CN(CC[C@@H]1c1ccccc1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)C(=O)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C(=O)C1)[*:1]
CCn1ncnc1CN1CCC(OCCC[NH3+])CC1 [NH3+]CCC[*:1] CCn1ncnc1CN1CCC(CC1)O[*:1]
CCn1ncnc1CN1CCC(OCCC[NH3+])CC1 [NH3+]CC[*:1] CCn1ncnc1CN1CCC(CC1)OC[*:1]
CCn1ncnc1CN1CCC(OCCC[NH3+])CC1 [NH3+]CCCO[*:1] CCn1ncnc1CN1CCC(CC1)[*:1]
CC(C)OC(=O)N1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)OC(=O)N1CCC(CC1)[NH2+][C@@H](C)CC(=O)N[*:1]
CC(C)OC(=O)N1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(F)c2)CC1 CC(C)[*:1] C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CCN(CC1)C(=O)O[*:1]
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCc2ccc(cc2C1)[*:1]
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 CC(C)[*:1] O=C([C@@H]([NH2+]C1CCOCC1)[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl Clc1ccc(cc1)[*:1] O=C(C=C[*:1])NC(=S)Nc1cc(ccc1Cl)C(=O)[O-]
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl O=C([O-])[*:1] O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc(ccc1Cl)[*:1]
Cc1cc(C)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c(C)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)Cn2cnc3c(cnn3[*:1])c2=O)c(C)c1
Cc1cc(C)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)N[*:1]
CCC[NH2+][C@H](CC(C)C)C1(N2CCOCC2)CCCC1 CCC[*:1] CC(C)C[C@@H]([NH2+][*:1])C1(CCCC1)N1CCOCC1
CCC[NH2+][C@H](CC(C)C)C1(N2CCOCC2)CCCC1 CC(C)[*:1] CCC[NH2+][C@H](C[*:1])C1(CCCC1)N1CCOCC1
CCC[NH2+][C@H](CC(C)C)C1(N2CCOCC2)CCCC1 CC(C)C[*:1] CCC[NH2+][C@H](C1(CCCC1)N1CCOCC1)[*:1]
CCC[NH2+][C@H](CC(C)C)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] CCC[NH2+][C@H](CC(C)C)C1(CCCC1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1cc(F)c(F)cc1Cl c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cc(F)c(F)cc1Cl
C[C@@H](Oc1ccccc1)C(=O)Nc1cc(F)c(F)cc1Cl c1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1cc(F)c(F)cc1Cl)[*:1]
C[NH+]1CCC(=N/N=c2/nc(N3CCCCC3)nc(N3CCCCC3)[nH]2)CC1 C1CCN(CC1)[*:1] C[NH+]1CCC(CC1)=N/N=c1/nc(nc([nH]1)N1CCCCC1)[*:1]
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)C1CCS(=O)(=O)CC1 CC(C)(C)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)N(C)C1CCS(=O)(=O)CC1
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)C1CCS(=O)(=O)CC1 O=S1(=O)CCC(CC1)[*:1] C[C@@H](Oc1ccc(cc1)C(C)(C)C)C(=O)N(C)[*:1]
CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)cc1 CCO[*:1] Cc1ccc2[nH+]c([nH]c2c1)N1CCC[C@H](C1)C(=O)NCc1ccc(cc1)[*:1]
CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc2[nH+]c([nH]c2c1)N1CCC[C@H](C1)C(=O)NC[*:1]
CCCc1noc(C[NH+](C)C2CCN(CCC)CC2)n1 CCC[*:1] CCCc1noc(C[NH+](C)C2CCN(CC2)[*:1])n1
CCCc1noc(C[NH+](C)C2CCN(CCC)CC2)n1 CCC[*:1] CCCN1CCC(CC1)[NH+](C)Cc1nc(no1)[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1C1CC1 C=CC[*:1] Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnc(C3CC3)n2[*:1])c(C)c1
C=CCn1c(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1C1CC1 C1CC1[*:1] C=CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1c(C)cc(C)cc1C
COc1ccc2cc([C@H](C)C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)ccc2c1 O=C(N1CCOCC1)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Nc1c(oc2ccccc12)[*:1]
O[C@H](C[NH2+]C1CCCC1)c1ccccc1F C1CCC(C1)[*:1] O[C@H](C[NH2+][*:1])c1ccccc1F
c1ccc(Cn2nc(C[NH2+]C3CC3)c(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nn(C[*:1])nc1C[NH2+]C1CC1
c1ccc(Cn2nc(C[NH2+]C3CC3)c(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)Cn1nc(C[NH2+]C2CC2)c(n1)[*:1]
c1ccc(Cn2nc(C[NH2+]C3CC3)c(-c3ccccc3)n2)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)-c1nn(nc1C[NH2+]C1CC1)[*:1]
Cc1ccc(Cl)cc1NC(=O)Cn1ncn2c(C)c(C(=O)NCc3ccccc3)c(C)c2c1=O Cc1ccc(Cl)cc1[*:1] Cc1c(C(=O)NCc2ccccc2)c(C)n2cnn(CC(=O)N[*:1])c(=O)c12
Cc1ccc(Cl)cc1NC(=O)Cn1ncn2c(C)c(C(=O)NCc3ccccc3)c(C)c2c1=O Cc1ccc(Cl)cc1NC(=O)[*:1] Cc1c(C(=O)NCc2ccccc2)c(C)n2cnn(C[*:1])c(=O)c12
Cc1ccc(Cl)cc1NC(=O)Cn1ncn2c(C)c(C(=O)NCc3ccccc3)c(C)c2c1=O c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)Cn1ncn2c(C)c(C(=O)NC[*:1])c(C)c2c1=O
Cc1ccc(Cl)cc1NC(=O)Cn1ncn2c(C)c(C(=O)NCc3ccccc3)c(C)c2c1=O c1ccc(cc1)C[*:1] Cc1ccc(Cl)cc1NC(=O)Cn1ncn2c(C)c(C(=O)N[*:1])c(C)c2c1=O
Cc1ccc(Cl)cc1NC(=O)Cn1ncn2c(C)c(C(=O)NCc3ccccc3)c(C)c2c1=O O=C(NCc1ccccc1)[*:1] Cc1ccc(Cl)cc1NC(=O)Cn1ncn2c(C)c(c(C)c2c1=O)[*:1]
CCCN1C(=O)CO[C@H](C(=O)[O-])[C@@H]1c1c[nH+]cn1C1CC1 O=C([O-])[*:1] CCCN1C(=O)CO[C@H]([C@@H]1c1c[nH+]cn1C1CC1)[*:1]
CCCN1C(=O)CO[C@H](C(=O)[O-])[C@@H]1c1c[nH+]cn1C1CC1 C1CC1[*:1] CCCN1C(=O)CO[C@H](C(=O)[O-])[C@@H]1c1c[nH+]cn1[*:1]
CCCN1C(=O)CO[C@H](C(=O)[O-])[C@@H]1c1c[nH+]cn1C1CC1 CCC[*:1] O=C([O-])[C@H]1OCC(=O)N([C@H]1c1c[nH+]cn1C1CC1)[*:1]
Cc1ccc2c(c1)N(CC(=O)Nc1ccc(Cl)cc1C)C(=O)CO2 Cc1cc(Cl)ccc1[*:1] Cc1ccc2OCC(=O)N(CC(=O)N[*:1])c2c1
CCOC(=O)[C@@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCOC(=O)[C@@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)[*:1]
CCOC(=O)[C@@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)c1cccc(OC)c1 CCOC(=O)[*:1] COc1cccc(c1)C(=O)NC1=c2cc(F)ccc2=[NH+][C@H]1[*:1]
COc1ccc(CN2CCO[C@H](CO)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CN1CCO[C@H](CO)C1
CCc1nn(C)cc1NC(=O)N[C@@H]1CCC[C@H]1C(N)=O NC(=O)[*:1] CCc1nn(C)cc1NC(=O)N[C@@H]1CCC[C@@H]1[*:1]
CC(C)c1ccc(N2CCN(CC(=O)Nc3ccncc3)C2=O)cc1 c1cc(ccn1)[*:1] CC(C)c1ccc(cc1)N1CCN(CC(=O)N[*:1])C1=O
CC(C)c1ccc(N2CCN(CC(=O)Nc3ccncc3)C2=O)cc1 CC(C)[*:1] O=C(CN1CCN(C1=O)c1ccc(cc1)[*:1])Nc1ccncc1
O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)N1CCCC1 O=C(N1CCCC1)[*:1] c1ccc2[nH]c(CCc3nnc(o3)SC[*:1])nc2c1
O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)N1CCCC1 O=C(C[*:1])N1CCCC1 c1ccc2[nH]c(CCc3nnc(o3)S[*:1])nc2c1
O=C(C1CCCC1)N1CCN(C[C@H](O)COc2ccccc2)CC1 C1CCC(C1)[*:1] O=C(N1CCN(CC1)C[C@H](O)COc1ccccc1)[*:1]
O=C(C1CCCC1)N1CCN(C[C@H](O)COc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(C1CCCC1)N1CCN(CC1)C[C@H](O)C[*:1]
O=C(C1CCCC1)N1CCN(C[C@H](O)COc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C1CCCC1)N1CCN(CC1)C[C@H](O)CO[*:1]
O=C(C1CCCC1)N1CCN(C[C@H](O)COc2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=C(C1CCCC1)N1CCN(CC1)C[C@H](O)[*:1]
Cc1ccc(N2CC[C@H](Nc3ccccc3CS(C)(=O)=O)C2=O)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)Cc1ccccc1N[C@H]1CCN(C1=O)[*:1]
Cc1ccc(N2CC[C@H](Nc3ccccc3CS(C)(=O)=O)C2=O)cc1 CS(=O)(=O)C[*:1] Cc1ccc(cc1)N1CC[C@H](Nc2ccccc2[*:1])C1=O
Cc1ccc(N2CC[C@H](Nc3ccccc3CS(C)(=O)=O)C2=O)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)N1CC[C@H](Nc2ccccc2C[*:1])C1=O
Cc1nc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c(C)s1 Cc1nc(c(C)s1)[*:1] Clc1cccc2c1OCCC[C@@H]2[NH2+]C[*:1]
[NH2+]=c1oc2ccc(Br)cc2cc1C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] [NH2+]=c1oc2ccc(Br)cc2cc1C(=O)N[*:1]
[NH2+]=c1oc2ccc(Br)cc2cc1C(=O)NCc1cccnc1 c1cncc(c1)[*:1] [NH2+]=c1oc2ccc(Br)cc2cc1C(=O)NC[*:1]
COc1ccc([C@]2(C(=O)Nc3ccccc3C)CC(=O)N2c2ccc(C)cc2)cc1 Cc1ccccc1NC(=O)[*:1] COc1ccc(cc1)[C@@]1(CC(=O)N1c1ccc(C)cc1)[*:1]
COc1ccc([C@]2(C(=O)Nc3ccccc3C)CC(=O)N2c2ccc(C)cc2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)[C@@]1(CC(=O)N1c1ccc(C)cc1)C(=O)N[*:1]
COc1ccc([C@]2(C(=O)Nc3ccccc3C)CC(=O)N2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@]1(CC(=O)N1[*:1])C(=O)Nc1ccccc1C
COc1ccc([C@]2(C(=O)Nc3ccccc3C)CC(=O)N2c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@]1(C(=O)Nc1ccccc1C)[*:1]
Cc1nc2ccc(NC(=O)Cc3ccc(-n4cnnn4)cc3)cc2o1 c1nnnn1[*:1] Cc1nc2ccc(cc2o1)NC(=O)Cc1ccc(cc1)[*:1]
COC(=O)c1ccccc1Nc1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] CN(c1ccccc1)[*:1] COC(=O)c1ccccc1Nc1ncnc(c1[N+](=O)[O-])[*:1]
COC(=O)c1ccccc1Nc1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] COC(=O)[*:1] CN(c1ccccc1)c1ncnc(Nc2ccccc2[*:1])c1[N+](=O)[O-]
COC(=O)c1ccccc1Nc1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)c1ccccc1Nc1ncnc(c1[*:1])N(C)c1ccccc1
COC(=O)c1ccccc1Nc1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] COC(=O)c1ccccc1Nc1ncnc(c1[N+](=O)[O-])N(C)[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)o1 Cc1ccc(o1)[*:1] O=C(NNC(=O)[*:1])N[C@H]1CCCC[C@@H]1Cc1ccccc1
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)o1 c1ccc(cc1)C[*:1] Cc1ccc(o1)C(=O)NNC(=O)N[C@H]1CCCC[C@H]1[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)NNC(=O)N[C@H]1CCCC[C@@H]1C[*:1]
Cc1cn2c(=O)c(C(=O)Nc3cc(C)c(F)cc3C(N)=O)cnc2s1 NC(=O)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)Nc1cc(C)c(F)cc1[*:1]
Cc1cccc(N(CCCl)CCCl)c1 ClCC[*:1] Cc1cccc(c1)N(CCCl)[*:1]
C[C@@H]([C@@H](C)C(=O)[O-])[NH+]1CCCCCC1 O=C([O-])[*:1] C[C@@H]([C@@H](C)[*:1])[NH+]1CCCCCC1
CCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 CCc1noc(C)c1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccs1)[*:1]
CCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] CCc1noc(C)c1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccccc1F N#CC[*:1] C[C@H](Sc1ccccc1NC(=O)Nc1ccccc1F)[*:1]
C[C@H](CC#N)Sc1ccccc1NC(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@H](CC#N)Sc1ccccc1NC(=O)N[*:1]
O=C(C(=O)N1CCN(c2ccccc2F)CC1)c1c[nH]c2ccccc12 Fc1ccccc1[*:1] O=C(C(=O)N1CCN(CC1)[*:1])c1c[nH]c2ccccc12
O=C1CCCN1Cc1ccccc1C[NH2+]Cc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C1CCCN1Cc1ccccc1C[NH2+]C[*:1]
O=C1CCCN1Cc1ccccc1C[NH2+]Cc1ccc(Cl)cc1Cl O=C1CCCN1[*:1] Clc1ccc(C[NH2+]Cc2ccccc2C[*:1])c(Cl)c1
O=C1CCCN1Cc1ccccc1C[NH2+]Cc1ccc(Cl)cc1Cl O=C1CCCN1C[*:1] Clc1ccc(C[NH2+]Cc2ccccc2[*:1])c(Cl)c1
CC1(C)C(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1(C)C c1ccc(cc1)[*:1] CC1(C)C(C(=O)N2CCC(CC2)C(=O)N[*:1])C1(C)C
CC1(C)C(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1(C)C CC1(C)C(C1(C)C)[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)[*:1]
COc1ccccc1-c1noc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)n1 COc1ccccc1[*:1] O=c1c2c(csc2ncn1Cc1nc(no1)[*:1])-c1ccc(F)cc1
COc1ccccc1-c1noc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)n1 Fc1ccc(cc1)[*:1] COc1ccccc1-c1noc(Cn2cnc3scc(c3c2=O)[*:1])n1
C[C@@](NC(=O)[C@@]1(C)CCCO1)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] C[C@@](NC(=O)[C@@]1(C)CCCO1)(c1ccccc1)[*:1]
C[C@@](NC(=O)[C@@]1(C)CCCO1)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@@](NC(=O)[C@@]1(C)CCCO1)(C(=O)[O-])[*:1]
O=C(Cn1c(CO)c[nH]c1=S)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1c(c[nH]c1=S)CO)N[*:1]
CC[C@@H](NC(=O)Nc1nnc(C(F)(F)F)s1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)Nc1nnc(s1)C(F)(F)F)[*:1]
CC[C@@H](NC(=O)Nc1nnc(C(F)(F)F)s1)c1cccs1 FC(F)(F)[*:1] CC[C@@H](NC(=O)Nc1nnc(s1)[*:1])c1cccs1
Cc1ccc(-c2noc([C@@H](C)O/N=C(/N)Cc3cccnc3)n2)cc1F c1cncc(c1)C[*:1] Cc1ccc(cc1F)-c1noc(n1)[C@@H](C)O/N=C(/N)[*:1]
Cc1ccc(-c2noc([C@@H](C)O/N=C(/N)Cc3cccnc3)n2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](O/N=C(/N)Cc1cccnc1)c1nc(no1)[*:1]
Cc1ccc(-c2noc([C@@H](C)O/N=C(/N)Cc3cccnc3)n2)cc1F c1cncc(c1)[*:1] Cc1ccc(cc1F)-c1noc(n1)[C@@H](C)O/N=C(/N)C[*:1]
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)Nc1ccccc1F)C2 Fc1ccccc1[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)NC(=O)N[*:1]
C[C@@H]1CN(C(=O)CC2CCC2)C[C@H](c2ccc(F)cc2)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)[*:1])C(=O)CC1CCC1
C[C@@H]1CN(C(=O)CC2CCC2)C[C@H](c2ccc(F)cc2)O1 C1CC(C1)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)C[*:1]
C[C@@H]1CN(C(=O)CC2CCC2)C[C@H](c2ccc(F)cc2)O1 C1CC(C1)C[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)[*:1]
C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 O=C(CC1CCCCC1)N[*:1] C[C@@H](C(=O)N1CCN(CC1)c1ccnc(n1)-c1ccccc1)[*:1]
C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCN(CC1)c1ccnc(n1)[*:1]
C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 C1CCC(CC1)C[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCN(CC1)c1ccnc(n1)-c1ccccc1
C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)C[*:1])C(=O)N1CCN(CC1)c1ccnc(n1)-c1ccccc1
CC(C)c1ccc(NCC(=O)Nc2ccnn2C2CCCC2)cc1 CC(C)[*:1] O=C(CNc1ccc(cc1)[*:1])Nc1ccnn1C1CCCC1
CC(C)c1ccc(NCC(=O)Nc2ccnn2C2CCCC2)cc1 C1CCC(C1)[*:1] CC(C)c1ccc(cc1)NCC(=O)Nc1ccnn1[*:1]
O=C(Nc1ccn(-c2ncccc2Cl)n1)C1CCC(F)(F)CC1 Clc1cccnc1[*:1] O=C(Nc1ccn(n1)[*:1])C1CCC(F)(F)CC1
Cc1nc(C[C@H](CO)C(C)C)sc1C CC(C)[*:1] Cc1nc(C[C@H](CO)[*:1])sc1C
COc1nccnc1N1CC(c2ccncc2)C1 c1cc(ccn1)[*:1] COc1nccnc1N1CC(C1)[*:1]
Clc1cccc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)c1 Clc1cccc(c1)[*:1] c1coc(c1)-c1noc(CN2CCN(CC2)[*:1])n1
Clc1cccc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)c1 c1coc(c1)[*:1] Clc1cccc(c1)N1CCN(CC1)Cc1nc(no1)[*:1]
COc1ccccc1[C@@H](NC(=O)NCc1cccnc1)c1ccccn1 c1cncc(c1)[*:1] COc1ccccc1[C@@H](NC(=O)NC[*:1])c1ccccn1
COc1ccccc1[C@@H](NC(=O)NCc1cccnc1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)NCc1cccnc1)[*:1]
COc1ccccc1[C@@H](NC(=O)NCc1cccnc1)c1ccccn1 c1cncc(c1)C[*:1] COc1ccccc1[C@@H](NC(=O)N[*:1])c1ccccn1
COc1ccccc1[C@@H](NC(=O)NCc1cccnc1)c1ccccn1 COc1ccccc1[*:1] O=C(NCc1cccnc1)N[C@@H](c1ccccn1)[*:1]
C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)N1CCCCCC1 c1coc(c1)[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)N1CCCCCC1
O=S(=O)(c1ccc2ccccc2c1)N1CCN(C2CCCC2)CC1 C1CCC(C1)[*:1] O=S(=O)(c1ccc2ccccc2c1)N1CCN(CC1)[*:1]
C[C@H](CCC(=O)[O-])NC(=O)C[C@H]1CCCCO1 O=C([O-])C[*:1] C[C@H](C[*:1])NC(=O)C[C@H]1CCCCO1
C[C@H](CCC(=O)[O-])NC(=O)C[C@H]1CCCCO1 O=C([O-])CC[*:1] C[C@H](NC(=O)C[C@H]1CCCCO1)[*:1]
C[C@H](CCC(=O)[O-])NC(=O)C[C@H]1CCCCO1 O=C([O-])[*:1] C[C@H](CC[*:1])NC(=O)C[C@H]1CCCCO1
CCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Br CSCC[*:1] CCNC(=O)[C@@H](NC(=O)c1ccccc1Br)[*:1]
CCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Br CCNC(=O)[*:1] CSCC[C@@H](NC(=O)c1ccccc1Br)[*:1]
CCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Br CSC[*:1] CCNC(=O)[C@@H](C[*:1])NC(=O)c1ccccc1Br
Cc1ccccc1OCCN(C)C(=O)c1ccc(C)c(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] Cc1ccccc1OCCN(C)C(=O)c1ccc(C)c(c1)[*:1]
Cc1ccccc1OCCN(C)C(=O)c1ccc(C)c(S(N)(=O)=O)c1 Cc1ccccc1[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)N(C)CCO[*:1]
Cc1ccccc1OCCN(C)C(=O)c1ccc(C)c(S(N)(=O)=O)c1 Cc1ccccc1O[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)N(C)CC[*:1]
COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)[O-] O=C([O-])[*:1] COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)[*:1]
CCOc1ccc(CC(=O)N2CCc3nc(NC(=O)[C@H]4CCCO4)sc3C2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)C[*:1])[C@H]1CCCO1
CCOc1ccc(CC(=O)N2CCc3nc(NC(=O)[C@H]4CCCO4)sc3C2)cc1 CCO[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)Cc1ccc(cc1)[*:1])[C@H]1CCCO1
CCN(Cc1ccccc1Cl)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CCN(Cc1ccccc1Cl)S(=O)(=O)[*:1]
Cc1nnc(/N=C2/S/C(=C/c3cccn3C)C(=O)N2c2ccccc2)s1 Cc1nnc(s1)[*:1] Cn1cccc1/C=C1/SC(=N[*:1])N(C1=O)c1ccccc1
Cc1nnc(/N=C2/S/C(=C/c3cccn3C)C(=O)N2c2ccccc2)s1 Cn1cccc1[*:1] Cc1nnc(/N=C2/SC(=C[*:1])C(=O)N2c2ccccc2)s1
Cc1nnc(/N=C2/S/C(=C/c3cccn3C)C(=O)N2c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nnc(/N=C2/S/C(=C/c3cccn3C)C(=O)N2[*:1])s1
N#Cc1c(F)cccc1N1CCN(C(=O)NCc2ccccn2)CC1 c1ccc(nc1)[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C(=O)NC[*:1]
N#Cc1c(F)cccc1N1CCN(C(=O)NCc2ccccn2)CC1 c1ccc(C[*:1])nc1 N#Cc1c(F)cccc1N1CCN(CC1)C(=O)N[*:1]
N#C[C@@H](COC(=O)Cc1ccc(F)cc1)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#C[C@@H](COC(=O)Cc1ccc(F)cc1)C[*:1]
N#C[C@@H](COC(=O)Cc1ccc(F)cc1)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#C[C@@H](COC(=O)C[*:1])Cc1ccc(F)cc1
c1ccc(OCC[NH+]2CCCCC2)c(CNN2CCOCC2)c1 C1CN(CCO1)N[*:1] c1ccc(OCC[NH+]2CCCCC2)c(c1)C[*:1]
CCCc1cc(=O)[nH]c(SCC(=O)N(C)[C@H]2CCCc3ccccc32)n1 CCC[*:1] CN(C(=O)CSc1nc(cc(=O)[nH]1)[*:1])[C@H]1CCCc2ccccc21
CC[C@H](Nc1cncc(-n2nc(C)cc2C)n1)c1noc(C)n1 Cc1cc(C)n(n1)[*:1] CC[C@H](Nc1cncc(n1)[*:1])c1noc(C)n1
CC[C@H](Nc1cncc(-n2nc(C)cc2C)n1)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@H](Nc1cncc(n1)-n1nc(C)cc1C)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 CCC[C@@H](C)NC(=O)[*:1] C[C@H](NC(=O)N1CCC[C@@H](C1)[*:1])C(=O)N1CCCCC1
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 CCC[*:1] C[C@H](NC(=O)N1CCC[C@@H](C1)C(=O)N[C@H](C)[*:1])C(=O)N1CCCCC1
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 CCC[C@@H](C)[*:1] C[C@H](NC(=O)N1CCC[C@@H](C1)C(=O)N[*:1])C(=O)N1CCCCC1
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 O=C(N1CCCCC1)[*:1] CCC[C@@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
CC(=O)Nc1ccc(CC(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)cc1 CC(=O)N[*:1] Cc1ccccc1[C@H]1C[C@H](C)N(C1)C(=O)Cc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(CC(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)cc1 Cc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)CC(=O)N1C[C@@H](C[C@@H]1C)[*:1]
O=[N+]([O-])c1cccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c1[O-] O=[N+]([O-])[*:1] [O-]c1c(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cccc1[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 CCc1nn(C)cc1[*:1] O=C(NC[*:1])N1CCC[C@@H]1C[C@H](O)c1ccco1
CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 O[C@@H](C[*:1])c1ccco1 CCc1nn(C)cc1CNC(=O)N1CCC[C@H]1[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 c1coc(c1)[*:1] CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1C[C@H](O)[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 O[C@H](c1ccco1)[*:1] CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1C[*:1]
CCCCN(C)C(=O)c1cc(C(F)(F)F)ccc1NCC FC(F)(F)[*:1] CCCCN(C)C(=O)c1cc(ccc1NCC)[*:1]
CCCCN(C)C(=O)c1cc(C(F)(F)F)ccc1NCC CCC[*:1] CCNc1ccc(cc1C(=O)N(C)C[*:1])C(F)(F)F
CCCCN(C)C(=O)c1cc(C(F)(F)F)ccc1NCC CCCC[*:1] CCNc1ccc(cc1C(=O)N(C)[*:1])C(F)(F)F
CCCCN(C)C(=O)c1cc(C(F)(F)F)ccc1NCC CCN[*:1] CCCCN(C)C(=O)c1cc(ccc1[*:1])C(F)(F)F
CCOC(=O)c1c(-c2ccccc2)n2c3c(cccc13)CC2 c1ccc(cc1)[*:1] CCOC(=O)c1c(n2CCc3cccc1c32)[*:1]
CCOC(=O)c1c(-c2ccccc2)n2c3c(cccc13)CC2 CCOC(=O)[*:1] c1ccc(cc1)-c1c(c2cccc3CCn1c32)[*:1]
CC[C@H](C)[C@](C)(O)CNC(=O)CSc1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@H](C)[C@](C)(O)CNC(=O)CS[*:1]
CC[C@H](C)[C@](C)(O)CNC(=O)CSc1nc(C)n[nH]1 CC[C@H](C)[*:1] Cc1n[nH]c(n1)SCC(=O)NC[C@](C)(O)[*:1]
CCCn1nnnc1CSc1nnc(-c2ccccc2OC)o1 CCC[*:1] COc1ccccc1-c1nnc(o1)SCc1nnnn1[*:1]
O=C(NC1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 c1csc(c1)[*:1] O=C(NC1CCCCCC1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(NC1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 C1CCCC(CC1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1cccs1
COc1cccc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)c1 CC(C)[*:1] COc1cccc(c1)-c1nc2cc(ccc2o1)NC(=O)C[*:1]
COc1cccc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)c1 COc1cccc(c1)[*:1] CC(C)CC(=O)Nc1ccc2oc(nc2c1)[*:1]
COc1cccc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)c1 CC(C)C[*:1] COc1cccc(c1)-c1nc2cc(ccc2o1)NC(=O)[*:1]
COc1cccc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)c1 CC(C)CC(=O)N[*:1] COc1cccc(c1)-c1nc2cc(ccc2o1)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 O=S(=O)(Nc1nccs1)[*:1] Cc1onc(c1C(=O)Nc1ccc(cc1)[*:1])-c1c(F)cccc1Cl
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] Cc1onc(c1C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1])-c1c(F)cccc1Cl
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)[*:1]
O=C(NCc1ccc(OCC(F)(F)F)nc1)c1n[nH]c(=O)[nH]1 O=c1[nH]nc([nH]1)[*:1] O=C(NCc1ccc(nc1)OCC(F)(F)F)[*:1]
O=C(NCc1ccc(OCC(F)(F)F)nc1)c1n[nH]c(=O)[nH]1 FC(F)(F)CO[*:1] O=C(NCc1ccc(nc1)[*:1])c1n[nH]c(=O)[nH]1
O=C(NCc1ccc(OCC(F)(F)F)nc1)c1n[nH]c(=O)[nH]1 FC(F)(F)C[*:1] O=C(NCc1ccc(nc1)O[*:1])c1n[nH]c(=O)[nH]1
O=C(NCc1ccc(OCC(F)(F)F)nc1)c1n[nH]c(=O)[nH]1 FC(F)(F)[*:1] O=C(NCc1ccc(nc1)OC[*:1])c1n[nH]c(=O)[nH]1
O=C(NCCc1cccc2cccnc12)c1cccc(N2CCNC2=O)c1 O=C1NCCN1[*:1] O=C(NCCc1cccc2cccnc12)c1cccc(c1)[*:1]
COc1cc(C(C)=O)ccc1OCc1nc(-c2cc3ccccc3o2)no1 c1ccc2oc(cc2c1)[*:1] COc1cc(ccc1OCc1nc(no1)[*:1])C(C)=O
COc1cc(C(C)=O)ccc1OCc1nc(-c2cc3ccccc3o2)no1 CC(=O)[*:1] COc1cc(ccc1OCc1nc(no1)-c1cc2ccccc2o1)[*:1]
COc1cccc(CSc2nnc(-c3cnccn3)n2C)c1 c1cnc(cn1)[*:1] COc1cccc(c1)CSc1nnc(n1C)[*:1]
Cc1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1F CS(=O)(=O)[*:1] Cc1ccc(cc1F)C[NH2+][C@H]1CCC[C@H](C1)[*:1]
COc1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(N3CCCC3)n2)c2ccc(F)cc2)cn1 Fc1ccc(cc1)[*:1] COc1ccc(cn1)C(=O)N[C@H](Cc1cc(=O)[nH]c(n1)N1CCCC1)[*:1]
COc1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(N3CCCC3)n2)c2ccc(F)cc2)cn1 C1CCN(C1)[*:1] COc1ccc(cn1)C(=O)N[C@H](Cc1cc(=O)[nH]c(n1)[*:1])c1ccc(F)cc1
COc1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(N3CCCC3)n2)c2ccc(F)cc2)cn1 COc1ccc(cn1)[*:1] O=C(N[C@H](Cc1cc(=O)[nH]c(n1)N1CCCC1)c1ccc(F)cc1)[*:1]
CCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 CCC[*:1] COc1cc(cc(OC)c1OC)-c1nc2ccccc2n1[*:1]
COC(=O)c1cncc(NCc2cc(N)ccc2OC)n1 COC(=O)[*:1] COc1ccc(N)cc1CNc1cncc(n1)[*:1]
COc1ccccc1NC1CCN(C(=O)c2sccc2C#N)CC1 COc1ccccc1[*:1] N#Cc1ccsc1C(=O)N1CCC(CC1)N[*:1]
COc1ccccc1NC1CCN(C(=O)c2sccc2C#N)CC1 N#Cc1ccsc1[*:1] COc1ccccc1NC1CCN(CC1)C(=O)[*:1]
Cc1ccc([C@H](C)NC(=O)c2cc3ccccc3oc2=O)cc1F Cc1ccc(cc1F)[*:1] C[C@H](NC(=O)c1cc2ccccc2oc1=O)[*:1]
Cc1cc(C)c(NS(=O)(=O)c2cccc3cc(C)cnc23)c(C(=O)[O-])c1 O=C([O-])[*:1] Cc1cc(C)c(NS(=O)(=O)c2cccc3cc(C)cnc23)c(c1)[*:1]
CCN(CC(=O)NC(=O)NC1CC1)Cc1nc2ccccc2c(=O)[nH]1 C1CC1[*:1] CCN(CC(=O)NC(=O)N[*:1])Cc1nc2ccccc2c(=O)[nH]1
C[C@@H]1CCC[C@H](CC(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)C1 NC(=O)[*:1] C[C@@H]1CCC[C@H](CC(=O)Nc2ccc3[nH]nc(c3c2)[*:1])C1
COc1ccccc1-n1nnc(C(=O)OCc2cccc(F)c2)c1C Fc1cccc(c1)C[*:1] COc1ccccc1-n1nnc(C(=O)O[*:1])c1C
COc1ccccc1-n1nnc(C(=O)OCc2cccc(F)c2)c1C Fc1cccc(c1)[*:1] COc1ccccc1-n1nnc(C(=O)OC[*:1])c1C
COc1ccccc1-n1nnc(C(=O)OCc2cccc(F)c2)c1C COc1ccccc1[*:1] Cc1c(nnn1[*:1])C(=O)OCc1cccc(F)c1
CCOc1ccc(F)c(C(=O)Nc2cc(-c3ccco3)ccc2F)c1F CCO[*:1] O=C(Nc1cc(ccc1F)-c1ccco1)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)Nc2cc(-c3ccco3)ccc2F)c1F c1coc(c1)[*:1] CCOc1ccc(F)c(C(=O)Nc2cc(ccc2F)[*:1])c1F
Cc1cc(C(F)(F)F)nc(N(C)/C([O-])=N/S(=O)(=O)c2ccc(F)cc2)n1 FC(F)(F)[*:1] Cc1cc(nc(n1)N(C)/C([O-])=N/S(=O)(=O)c1ccc(F)cc1)[*:1]
Cc1cc(C(F)(F)F)nc(N(C)/C([O-])=N/S(=O)(=O)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(nc(n1)N(C)/C([O-])=N/S(=O)(=O)[*:1])C(F)(F)F
CS(=O)(=O)Nc1ccc(C(=O)COc2ccc(Cl)c3ccccc23)cc1 CS(=O)(=O)N[*:1] O=C(COc1ccc(Cl)c2ccccc12)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1Br Cc1ccc(cc1Br)[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCCC1
Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1Br O=C(N1CCCC1)[*:1] Cc1ccc(cc1Br)C(=O)Nc1ccccc1[*:1]
C[C@@H](c1nc(-c2ccccc2)no1)S(=O)(=O)c1ncccc1Cl c1ccc(cc1)[*:1] C[C@@H](c1nc(no1)[*:1])S(=O)(=O)c1ncccc1Cl
C[C@@H](c1nc(-c2ccccc2)no1)S(=O)(=O)c1ncccc1Cl Clc1cccnc1[*:1] C[C@@H](c1nc(no1)-c1ccccc1)S(=O)(=O)[*:1]
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl COc1ccc(cc1Cl)[*:1] COc1ccccc1N1CCN(CC1)[C@@H](C(=O)N[*:1])c1ccccc1
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@@H](N1CCN(CC1)c1ccccc1OC)[*:1]
COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1Cl COc1ccccc1[*:1] COc1ccc(cc1Cl)NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F c1ccc(nc1)S[*:1] C[C@@H](C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F)[*:1]
C[C@@H](Sc1ccccn1)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F
CCCOC(=O)c1ccc2nc(Br)sc2c1 CCC[*:1] O=C(O[*:1])c1ccc2nc(Br)sc2c1
CC(C)N(CC#N)C(=O)Cc1c(F)cccc1F CC(C)[*:1] N#CCN(C(=O)Cc1c(F)cccc1F)[*:1]
CC(C)N(CC#N)C(=O)Cc1c(F)cccc1F N#CC[*:1] CC(C)N(C(=O)Cc1c(F)cccc1F)[*:1]
Cn1c(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cc(=O)n(C)c1=O C1CC1C[*:1] Cn1c(cc(=O)n(C)c1=O)C(=O)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
Cn1c(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cc(=O)n(C)c1=O C1CC1[*:1] Cn1c(cc(=O)n(C)c1=O)C(=O)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
CC(C)n1nccc1C(=O)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 CC(C)[*:1] O=C(c1ccnn1[*:1])N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1
CC(C)n1nccc1C(=O)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 C1CN(CCO1)[*:1] CC(C)n1nccc1C(=O)N(CCC[*:1])c1nc2c(Cl)cccc2s1
CC(C)n1nccc1C(=O)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 CC(C)n1nccc1[*:1] O=C(N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1)[*:1]
CC(C)n1nccc1C(=O)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 C(CN1CCOCC1)C[*:1] CC(C)n1nccc1C(=O)N(c1nc2c(Cl)cccc2s1)[*:1]
CC(C)n1nccc1C(=O)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 C1CN(CCO1)C[*:1] CC(C)n1nccc1C(=O)N(CC[*:1])c1nc2c(Cl)cccc2s1
CC(C)n1nccc1C(=O)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 C1CN(CCO1)CC[*:1] CC(C)n1nccc1C(=O)N(C[*:1])c1nc2c(Cl)cccc2s1
CC(C)n1nccc1C(=O)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 Clc1cccc2sc(nc12)[*:1] CC(C)n1nccc1C(=O)N(CCCN1CCOCC1)[*:1]
Cc1ccncc1NC(=O)N[C@H]1CCCc2ccccc21 Cc1ccncc1[*:1] O=C(N[C@H]1CCCc2ccccc21)N[*:1]
CNC(=O)C[C@H](C[NH3+])N(C)Cc1[nH+]ccn1C CNC(=O)C[*:1] CN(Cc1[nH+]ccn1C)[C@@H](C[NH3+])[*:1]
CNC(=O)C[C@H](C[NH3+])N(C)Cc1[nH+]ccn1C CNC(=O)[*:1] CN(Cc1[nH+]ccn1C)[C@@H](C[NH3+])C[*:1]
Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccnc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(c1cccnc1)N(Cc1cc2ccccc2[nH]c1=O)[*:1]
Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccnc2)c(C)c1 c1cncc(c1)[*:1] Cc1ccc(c(C)c1)N(Cc1cc2ccccc2[nH]c1=O)C(=O)[*:1]
Cc1ccc2ncc(C(=O)N(C)CC(=O)NC(C)(C)C)n2c1 CC(C)(C)NC(=O)[*:1] Cc1ccc2ncc(C(=O)N(C)C[*:1])n2c1
Cc1ccc2ncc(C(=O)N(C)CC(=O)NC(C)(C)C)n2c1 CC(C)(C)[*:1] Cc1ccc2ncc(C(=O)N(C)CC(=O)N[*:1])n2c1
C[C@@H](Cc1ccccc1)/N=C1/SCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Cc1ccccc1)/N=C1/SCC(=O)N1[*:1]
C[C@@H](Cc1ccccc1)/N=C1/SCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](/N=C1/SCC(=O)N1Cc1ccccc1)[*:1]
C[C@@H](Cc1ccccc1)/N=C1/SCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C[*:1])/N=C1/SCC(=O)N1Cc1ccccc1
C[C@@H](Cc1ccccc1)/N=C1/SCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1ccccc1)/N=C1/SCC(=O)N1C[*:1]
CCn1nc(C)cc1NC(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 CCn1nc(C)cc1[*:1] COc1ccc(cc1)-c1cc(n[nH]1)C(=O)N[*:1]
CCn1nc(C)cc1NC(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 COc1ccc(cc1)[*:1] CCn1nc(C)cc1NC(=O)c1cc([nH]n1)[*:1]
CSCC[C@@H](C(=O)N1CCCC[C@@H]1c1cccnc1)N1C(=O)c2ccccc2C1=O CSC[*:1] O=C1c2ccccc2C(=O)N1[C@@H](C[*:1])C(=O)N1CCCC[C@@H]1c1cccnc1
CSCC[C@@H](C(=O)N1CCCC[C@@H]1c1cccnc1)N1C(=O)c2ccccc2C1=O CSCC[*:1] O=C1c2ccccc2C(=O)N1[C@H](C(=O)N1CCCC[C@@H]1c1cccnc1)[*:1]
CSCC[C@@H](C(=O)N1CCCC[C@@H]1c1cccnc1)N1C(=O)c2ccccc2C1=O c1cncc(c1)[*:1] CSCC[C@@H](C(=O)N1CCCC[C@H]1[*:1])N1C(=O)c2ccccc2C1=O
CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1c[nH]c2ccccc12 Fc1cccc(c1)[*:1] CCn1c(nnc1-c1c[nH]c2ccccc12)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cccc(F)c1
O=C(c1cccc(Br)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccc(Br)c1)N1CCC(CC1)NS(=O)(=O)[*:1]
O=C(c1cccc(Br)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 Brc1cccc(c1)[*:1] O=C(N1CCC(CC1)NS(=O)(=O)c1ccccc1)[*:1]
CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccco2)C1 c1coc(c1)[*:1] CS(=O)(=O)N[C@@H]1CCCN(C1)C(=O)[*:1]
CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccco2)C1 CS(=O)(=O)N[*:1] O=C(c1ccco1)N1CCC[C@H](C1)[*:1]
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1C=C(c2ccc(Cl)cc2)N=N1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])[C@H]1C=C(N=N1)c1ccc(Cl)cc1
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1C=C(c2ccc(Cl)cc2)N=N1 Clc1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(cc1)[N+](=O)[O-])[C@H]1C=C(N=N1)[*:1]
CN[C@@](C[NH+]1C[C@@H](C)[C@H](C)C1)(C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CN[C@@](C[NH+]1C[C@@H](C)[C@H](C)C1)(C(N)=O)[*:1]
CN[C@@](C[NH+]1C[C@@H](C)[C@H](C)C1)(C(N)=O)c1ccccc1 NC(=O)[*:1] CN[C@@](C[NH+]1C[C@@H](C)[C@H](C)C1)(c1ccccc1)[*:1]
N#CCn1c(COC(=O)/C=C/c2ccc3c(c2)OCO3)nc2ccccc2c1=O c1cc2OCOc2cc1[*:1] N#CCn1c(COC(=O)C=C[*:1])nc2ccccc2c1=O
N#CCn1c(COC(=O)/C=C/c2ccc3c(c2)OCO3)nc2ccccc2c1=O N#CC[*:1] O=C(/C=C/c1ccc2OCOc2c1)OCc1nc2ccccc2c(=O)n1[*:1]
CC[C@@H](C)c1ccc([C@H](NC(=O)c2csc(S(N)(=O)=O)c2)c2cccs2)cc1 c1csc(c1)[*:1] CC[C@@H](C)c1ccc(cc1)[C@H](NC(=O)c1csc(c1)S(N)(=O)=O)[*:1]
CC[C@@H](C)c1ccc([C@H](NC(=O)c2csc(S(N)(=O)=O)c2)c2cccs2)cc1 NS(=O)(=O)c1cc(cs1)[*:1] CC[C@@H](C)c1ccc(cc1)[C@H](NC(=O)[*:1])c1cccs1
CC[C@@H](C)c1ccc([C@H](NC(=O)c2csc(S(N)(=O)=O)c2)c2cccs2)cc1 CC[C@@H](C)[*:1] NS(=O)(=O)c1cc(cs1)C(=O)N[C@@H](c1ccc(cc1)[*:1])c1cccs1
CC[C@@H](C)c1ccc([C@H](NC(=O)c2csc(S(N)(=O)=O)c2)c2cccs2)cc1 NS(=O)(=O)[*:1] CC[C@@H](C)c1ccc(cc1)[C@H](NC(=O)c1csc(c1)[*:1])c1cccs1
COCc1cccc(C(=O)Nc2ccccc2I)c1 COC[*:1] O=C(Nc1ccccc1I)c1cccc(c1)[*:1]
O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3cccs3)cc2C1 c1csc(c1)[*:1] O=C(c1ccco1)N1CCc2ccc(cc2C1)NS(=O)(=O)[*:1]
O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3cccs3)cc2C1 c1coc(c1)[*:1] O=C(N1CCc2ccc(cc2C1)NS(=O)(=O)c1cccs1)[*:1]
C/C(=N/O)C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C CC(C)[*:1] C/C(=N/O)C(=O)O[C@H]1C[C@@H](C)CC[C@H]1[*:1]
CCn1c(SCc2cccnc2)nc2sc3c(c2c1=O)CCCC3 c1cncc(c1)[*:1] CCn1c(nc2sc3CCCCc3c2c1=O)SC[*:1]
CCn1c(SCc2cccnc2)nc2sc3c(c2c1=O)CCCC3 c1cncc(c1)C[*:1] CCn1c(nc2sc3CCCCc3c2c1=O)S[*:1]
CCn1c(SCc2cccnc2)nc2sc3c(c2c1=O)CCCC3 c1cncc(c1)CS[*:1] CCn1c(nc2sc3CCCCc3c2c1=O)[*:1]
COc1ccccc1NC(=O)N[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C COc1ccccc1[*:1] COc1c2OCOc2cc2CCN(C)[C@H](NC(=O)N[*:1])c21
Cc1cc([C@@H]2CCCN2C(=O)c2cnc3c(cnn3C(C)C)c2)on1 CC(C)[*:1] Cc1cc(on1)[C@@H]1CCCN1C(=O)c1cnc2c(cnn2[*:1])c1
Cc1cc([C@@H]2CCCN2C(=O)c2cnc3c(cnn3C(C)C)c2)on1 Cc1cc(on1)[*:1] CC(C)n1ncc2cc(cnc21)C(=O)N1CCC[C@H]1[*:1]
CC1(C)Cc2ccc(C(=O)NC[C@H](c3cccc(F)c3)N3CCOCC3)c(O)c2O1 Fc1cccc(c1)[*:1] CC1(C)Cc2ccc(C(=O)NC[C@H](N3CCOCC3)[*:1])c(O)c2O1
CC1(C)Cc2ccc(C(=O)NC[C@H](c3cccc(F)c3)N3CCOCC3)c(O)c2O1 C1CN(CCO1)[*:1] CC1(C)Cc2ccc(C(=O)NC[C@H](c3cccc(F)c3)[*:1])c(O)c2O1
O=C(NCc1cccc(Cn2ccnc2)c1)[C@H]1C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1cccc(c1)Cn1ccnc1)[C@H]1C[C@H]1[*:1]
O=C(NCc1cccc(Cn2ccnc2)c1)[C@H]1C[C@@H]1c1ccc(F)cc1 c1cn(cn1)[*:1] O=C(NCc1cccc(c1)C[*:1])[C@H]1C[C@@H]1c1ccc(F)cc1
O=C(NCc1cccc(Cn2ccnc2)c1)[C@H]1C[C@@H]1c1ccc(F)cc1 c1cn(cn1)C[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1C[C@@H]1c1ccc(F)cc1
CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(C)cc3)n2)c1 CCOc1cccc(c1)[*:1] Cc1ccc(cc1)-c1cnnc(n1)-n1nc(C)c2c1NC(=O)C[C@H]2[*:1]
CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(C)cc3)n2)c1 Cc1ccc(cc1)[*:1] CCOc1cccc(c1)[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(n1)[*:1]
CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(C)cc3)n2)c1 CCO[*:1] Cc1ccc(cc1)-c1cnnc(n1)-n1nc(C)c2c1NC(=O)C[C@H]2c1cccc(c1)[*:1]
COc1cc([C@H](C)NC(=O)Cc2ccc(F)c(F)c2)cc(OC)c1OC Fc1ccc(cc1F)[*:1] COc1cc(cc(OC)c1OC)[C@H](C)NC(=O)C[*:1]
CCN(C(=O)C[C@H](C)Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] CCN(C(=O)C[C@H](C)C[*:1])[C@H]1CCS(=O)(=O)C1
CCN(C(=O)C[C@H](C)Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)C[C@H](C)Cc1ccc(Cl)cc1)[*:1]
COc1cc(CC(C)=O)cc(OC)c1OC CC(=O)C[*:1] COc1cc(cc(OC)c1OC)[*:1]
COc1cc(CC(C)=O)cc(OC)c1OC CC(=O)[*:1] COc1cc(cc(OC)c1OC)C[*:1]
Cc1ccc(Cl)c(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c1Cl Cc1ccc(Cl)c(c1Cl)[*:1] Cn1nc(C(=O)OCC(=O)N[*:1])c2ccccc2c1=O
Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)c1ccncc1 c1cc(ccn1)[*:1] Cc1nc(ncc1[C@@H](C)NC(=O)c1ccncc1)[*:1]
Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)c1ccncc1 c1cc(ccn1)[*:1] Cc1nc(ncc1[C@@H](C)NC(=O)[*:1])-c1ccncc1
CN(C)C(=O)c1ccc(Oc2cc(F)c(N)cc2F)nc1 CN(C)C(=O)[*:1] Nc1cc(F)c(cc1F)Oc1ccc(cn1)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)c(C)c1 Clc1ccc(nc1)[*:1] Cc1ccc(C(=O)NC(=S)N[*:1])c(C)c1
CN(C)C(=O)C1CCN(C(=O)c2cccc(Br)c2)CC1 CN(C)C(=O)[*:1] O=C(c1cccc(Br)c1)N1CCC(CC1)[*:1]
CSc1sc(NC(=O)CC2(O)CCCC2)nc1C OC1(CCCC1)[*:1] CSc1sc(nc1C)NC(=O)C[*:1]
Cc1ccc(F)c(-n2c(=C(C#N)C#N)s/c(=C\c3c(F)cccc3F)c2=O)c1 Cc1ccc(F)c(c1)[*:1] N#CC(C#N)=c1s/c(=C\c2c(F)cccc2F)c(=O)n1[*:1]
Cc1ccc(F)c(-n2c(=C(C#N)C#N)s/c(=C\c3c(F)cccc3F)c2=O)c1 Fc1cccc(F)c1[*:1] Cc1ccc(F)c(c1)-n1c(sc(=C[*:1])c1=O)=C(C#N)C#N
COc1cc(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)cc(OC)c1OC Cc1ccc(s1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)N1CCCCC[C@@H]1[*:1]
CC1CC(NC(=O)CCCC(C)(C)C)C1 CC(C)(C)[*:1] CC1CC(C1)NC(=O)CCC[*:1]
CC1CC(NC(=O)CCCC(C)(C)C)C1 CC(C)(C)C[*:1] CC1CC(C1)NC(=O)CC[*:1]
CC1CC(NC(=O)CCCC(C)(C)C)C1 CC1CC(C1)[*:1] CC(C)(C)CCCC(=O)N[*:1]
CCCN/C([O-])=C(\C#N)C(=O)c1ccc2c(c1)CCN2C(C)=O CCC[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)/C(C#N)=C(\[O-])N[*:1]
CCCN/C([O-])=C(\C#N)C(=O)c1ccc2c(c1)CCN2C(C)=O CCCN[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)/C(C#N)=C(\[O-])[*:1]
CNC(=O)c1noc(CNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)n1 CNC(=O)[*:1] O=C(NCc1nc(no1)[*:1])c1ccc(cc1)[C@H]1CCC[NH2+]C1
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 COc1ccccc1[*:1] C[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)N(C)[*:1])c1cccc(Cl)c1
C[C@@H](C(=O)N1CC[C@@H](Nc2ccccc2)C1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CC[C@H](C1)N[*:1])c1ccc2OCCOc2c1
C[C@@H](C(=O)N1CC[C@@H](Nc2ccccc2)C1)c1ccc2c(c1)OCCO2 c1ccc(cc1)N[*:1] C[C@@H](C(=O)N1CC[C@@H](C1)[*:1])c1ccc2OCCOc2c1
CCCN(CC1CC1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 C1CC1C[*:1] CCCN(C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)[*:1]
CCCN(CC1CC1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 CCC[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 C1CC1[*:1] CCCN(C[*:1])C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1
CC(C)[NH+]1CCC(C(=O)NCCc2nc3ccccc3s2)CC1 CC(C)[*:1] O=C(NCCc1nc2ccccc2s1)C1CC[NH+](CC1)[*:1]
O=C(/C=C/SCc1ccco1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 c1coc(c1)C[*:1] O=C(/C=C/S[*:1])N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1
O=C(/C=C/SCc1ccco1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 C1CCN(C1)[*:1] O=C(/C=C/SCc1ccco1)N[C@@H]1CS(=O)(=O)C[C@@H]1[*:1]
O=C(/C=C/SCc1ccco1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 c1coc(c1)[*:1] O=C(/C=C/SC[*:1])N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1
O=C(/C=C/SCc1ccco1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1 c1coc(c1)CS[*:1] O=C(C=C[*:1])N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1
CCN(Cc1ccccc1C#N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O N#Cc1ccccc1[*:1] CCN(C[*:1])c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
CCN(Cc1ccccc1C#N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CCN(Cc1ccccc1C#N)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCN(Cc1ccccc1C#N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O N#Cc1ccccc1C[*:1] CCN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)[*:1]
CCN(Cc1ccccc1C#N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CCN(Cc1ccccc1C#N)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCC[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(F)c1C CCC[*:1] Cc1c(F)cccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1[*:1]
Cc1cc(N2CCC[C@@H](C[NH2+]C(C)C)C2)ncc1[N+](=O)[O-] CC(C)[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCC[C@@H](C[NH2+][*:1])C1
Cc1cc(N2CCC[C@@H](C[NH2+]C(C)C)C2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CCC[C@@H](C[NH2+]C(C)C)C1
Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 Cn1cnc(c1)[*:1] O=C(CNS(=O)(=O)[*:1])N1CCC[C@H]2CCCC[C@@H]21
CC1(C)CO[C@@](O)(C(F)(F)F)CC1=O FC(F)(F)[*:1] CC1(C)CO[C@@](O)(CC1=O)[*:1]
CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cnc([C@@H]3CCCO3)s2)c1 CN(C)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC[C@H]1c1cccc(c1)[*:1]
CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cnc([C@@H]3CCCO3)s2)c1 C1CO[C@@H](C1)[*:1] CN(C)c1cccc(c1)[C@@H]1CCCN1C(=O)c1cnc(s1)[*:1]
CS(=O)(=O)N1CCC[C@@H](CC(N)=O)C1 NC(=O)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C[*:1]
CS(=O)(=O)N1CCC[C@@H](CC(N)=O)C1 NC(=O)C[*:1] CS(=O)(=O)N1CCC[C@@H](C1)[*:1]
COc1cccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2(C)C)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(Cc2cn(nn2)[*:1])CC1(C)C
COc1cccc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2(C)C)c1 COc1cccc(c1)[*:1] CC1(C)CN(CCN1[*:1])Cc1cn(nn1)-c1ccccc1
Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c21 O=C(NCc1ccc(Cl)cc1)[*:1] Cc1ccccc1Cn1c2ccccc2c2cnn(C[*:1])c(=O)c21
Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c21 Clc1ccc(cc1)C[*:1] Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)N[*:1])c(=O)c21
Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c21 Cc1ccccc1C[*:1] O=C(Cn1ncc2c3ccccc3n(c2c1=O)[*:1])NCc1ccc(Cl)cc1
Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c21 Clc1ccc(cc1)[*:1] Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)NC[*:1])c(=O)c21
Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c21 Cc1ccccc1[*:1] O=C(Cn1ncc2c3ccccc3n(C[*:1])c2c1=O)NCc1ccc(Cl)cc1
Cc1ccc(C)c(-n2nc(C(C)(C)C)cc2N)c1 CC(C)(C)[*:1] Cc1ccc(C)c(c1)-n1nc(cc1N)[*:1]
O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] O=C(c1ccc(F)cc1)N1CCC[C@@H](C1)C(=O)N(C[C@H]1CCCO1)[*:1]
O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)C1 Fc1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N(C[C@H]1CCCO1)c1nc2ccccc2s1
N#C/C(=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1ccc(F)cc1 O=C([O-])[*:1] N#C/C(=C/c1ccc(o1)-c1cccc(c1)[*:1])c1ccc(F)cc1
N#C/C(=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#C/C(=C/c1ccc(o1)-c1cccc(c1)C(=O)[O-])[*:1]
C#Cc1cccc(N(CC(=O)N2CCC3(CC2)OCCO3)C(C)C)c1 C#Cc1cccc(c1)[*:1] CC(C)N(CC(=O)N1CCC2(CC1)OCCO2)[*:1]
C#Cc1cccc(N(CC(=O)N2CCC3(CC2)OCCO3)C(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(CC(=O)N1CCC2(CC1)OCCO2)[*:1]
C[C@](NCc1n[nH]c(=O)[nH]1)(C(N)=O)c1cccc(C(F)(F)F)c1 NC(=O)[*:1] C[C@](NCc1n[nH]c(=O)[nH]1)(c1cccc(c1)C(F)(F)F)[*:1]
C[C@](NCc1n[nH]c(=O)[nH]1)(C(N)=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@](NCc1n[nH]c(=O)[nH]1)(C(N)=O)c1cccc(c1)[*:1]
C[C@](NCc1n[nH]c(=O)[nH]1)(C(N)=O)c1cccc(C(F)(F)F)c1 O=c1[nH]nc([nH]1)[*:1] C[C@](NC[*:1])(C(N)=O)c1cccc(c1)C(F)(F)F
C[NH2+][C@H](Cc1ccc(C(C)C)cc1)c1cncc(Br)c1 CC(C)[*:1] C[NH2+][C@H](Cc1ccc(cc1)[*:1])c1cncc(Br)c1
COC(=O)Cc1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)s1 COC(=O)C[*:1] O=S(=O)(c1ccc(s1)[*:1])N1CCc2ccc(F)cc21
COC(=O)Cc1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)s1 COC(=O)[*:1] O=S(=O)(c1ccc(C[*:1])s1)N1CCc2ccc(F)cc21
CCc1n[nH]c(SCc2ccsc2C(=O)OC)n1 COC(=O)[*:1] CCc1n[nH]c(n1)SCc1ccsc1[*:1]
CN(C(=O)c1ccc(-n2cccc2)cc1)[C@@H]1CCS(=O)(=O)C1 c1ccn(c1)[*:1] CN(C(=O)c1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1nn(CC(=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(F)cc1 O=C([O-])[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)C(=O)Nc1ccc(F)cc1
Cc1nn(CC(=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(F)cc1 O=C([O-])C[*:1] Cc1nn(c(C)c1NC(=O)C(=O)Nc1ccc(F)cc1)[*:1]
Cc1nn(CC(=O)[O-])c(C)c1NC(=O)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn(CC(=O)[O-])c(C)c1NC(=O)C(=O)N[*:1]
C[C@@H]1O[C@H](c2ccccc2Cl)Nn2c1nnc2[C@@H](C)O C[C@@H](O)[*:1] C[C@@H]1O[C@@H](Nn2c1nnc2[*:1])c1ccccc1Cl
CCOC[C@@H]1CCN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1 CCO[*:1] CC(C)=C[C@H]1[C@H](C(=O)N2CC[C@H](C2)C[*:1])C1(C)C
CCOC[C@@H]1CCN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1 CC(C)=C[*:1] CCOC[C@@H]1CCN(C1)C(=O)[C@H]1[C@H](C1(C)C)[*:1]
CCOC[C@@H]1CCN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1 CCOC[*:1] CC(C)=C[C@H]1[C@H](C(=O)N2CC[C@H](C2)[*:1])C1(C)C
Cc1ccc2oc(-c3ccc(NC(=O)C(C)C)cc3O)nc2c1 CC(C)[*:1] Cc1ccc2oc(nc2c1)-c1ccc(cc1O)NC(=O)[*:1]
Cc1ccc2oc(-c3ccc(NC(=O)C(C)C)cc3O)nc2c1 CC(C)C(=O)N[*:1] Cc1ccc2oc(nc2c1)-c1ccc(cc1O)[*:1]
CC(C)Oc1cccc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 CC(C)[*:1] O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cccc(c1)O[*:1]
CC(C)Oc1cccc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 CC(C)O[*:1] O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cccc(c1)[*:1]
Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)c1 Cc1cccc(c1)[*:1] CN(C(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21)[*:1]
Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)N(C)C(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
C[C@@H]1CCc2c(sc3nc([C@@H](C)Nc4ccc(NC(=O)CN5CCOCC5)cc4)[nH]c(=O)c23)C1 C1CN(CCO1)[*:1] C[C@@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)[C@@H](C)Nc1ccc(cc1)NC(=O)C[*:1]
C[C@@H]1CCc2c(sc3nc([C@@H](C)Nc4ccc(NC(=O)CN5CCOCC5)cc4)[nH]c(=O)c23)C1 C1CN(CCO1)C[*:1] C[C@@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)[C@@H](C)Nc1ccc(cc1)NC(=O)[*:1]
C[C@@H]1CCc2c(sc3nc([C@@H](C)Nc4ccc(NC(=O)CN5CCOCC5)cc4)[nH]c(=O)c23)C1 O=C(CN1CCOCC1)N[*:1] C[C@@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)[C@@H](C)Nc1ccc(cc1)[*:1]
COc1cc(C)c(C(=O)N[C@H](CO)CC(C)(C)C)cc1OC CC(C)(C)[*:1] COc1cc(C)c(cc1OC)C(=O)N[C@H](CO)C[*:1]
COc1cc(C)c(C(=O)N[C@H](CO)CC(C)(C)C)cc1OC CC(C)(C)C[*:1] COc1cc(C)c(cc1OC)C(=O)N[C@H](CO)[*:1]
COc1ccc2nc(C[NH+]3CCC(c4nnc(-c5ccncc5)o4)CC3)ccc2c1 c1cc(ccn1)[*:1] COc1ccc2nc(ccc2c1)C[NH+]1CCC(CC1)c1nnc(o1)[*:1]
Cc1cc(=O)oc2cc(NC(=S)Nc3ccc(Oc4ccccc4)cc3)ccc12 c1ccc(cc1)O[*:1] Cc1cc(=O)oc2cc(ccc12)NC(=S)Nc1ccc(cc1)[*:1]
Cc1cc(=O)oc2cc(NC(=S)Nc3ccc(Oc4ccccc4)cc3)ccc12 c1ccc(cc1)[*:1] Cc1cc(=O)oc2cc(ccc12)NC(=S)Nc1ccc(cc1)O[*:1]
COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)CC(=O)N([C@H](C)C1CC1)[*:1]
COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 COc1ccc(cc1)[*:1] C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[*:1]
COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N(C[*:1])[C@H](C)C1CC1
COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CC(=O)N(Cc1ccccc1)[C@H](C)[*:1]
Cc1nc(C)n(C[C@H]2CCCN2c2ncnc3sc(C)c(C)c23)n1 Cc1nc(C)n(C[*:1])n1 Cc1sc2ncnc(c2c1C)N1CCC[C@@H]1[*:1]
Cc1nc(C)n(C[C@H]2CCCN2c2ncnc3sc(C)c(C)c23)n1 Cc1nc(C)n(n1)[*:1] Cc1sc2ncnc(c2c1C)N1CCC[C@@H]1C[*:1]
CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 CC[C@@H](C)NC(=O)[*:1] CC1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 CC[C@@H](C)[*:1] CC1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1cccc(c1)S(=O)(=O)[N-]c1nc2ccccc2nc1NC[*:1]
Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@H]2CCCO2)c1 Cc1cccc(c1)[*:1] O=S(=O)([N-]c1nc2ccccc2nc1NC[C@H]1CCCO1)[*:1]
CCOc1ccc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cc1OC Fc1ccc(F)c(c1)[*:1] CCOc1ccc(cc1OC)C(=O)N(C)[C@@H](C)[*:1]
CCOc1ccc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)N(C)[C@@H](C)c1cc(F)ccc1F
CCOc1cc(C[NH2+]C(C)C)cc(Br)c1OCC CCO[*:1] CCOc1cc(cc(Br)c1[*:1])C[NH2+]C(C)C
CCOc1cc(C[NH2+]C(C)C)cc(Br)c1OCC CC(C)[*:1] CCOc1cc(cc(Br)c1OCC)C[NH2+][*:1]
CCOc1cc(C[NH2+]C(C)C)cc(Br)c1OCC CCO[*:1] CCOc1c(Br)cc(cc1[*:1])C[NH2+]C(C)C
COc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)cc1F Cc1ccc(s1)[*:1] COc1ccc(cc1F)NC(=S)NNC(=O)[C@@H]1C[C@H]1[*:1]
O=C1CN(Cc2cccc3cccnc23)C[C@H](OCc2ccccn2)CN1C1CCCCC1 c1cnc2c(cccc2c1)[*:1] O=C1CN(C[C@@H](CN1C1CCCCC1)OCc1ccccn1)C[*:1]
O=C1CN(Cc2cccc3cccnc23)C[C@H](OCc2ccccn2)CN1C1CCCCC1 c1ccc(nc1)[*:1] O=C1CN(Cc2cccc3cccnc23)C[C@@H](CN1C1CCCCC1)OC[*:1]
O=C1CN(Cc2cccc3cccnc23)C[C@H](OCc2ccccn2)CN1C1CCCCC1 c1ccc(C[*:1])nc1 O=C1CN(Cc2cccc3cccnc23)C[C@@H](CN1C1CCCCC1)O[*:1]
O=C1CN(Cc2cccc3cccnc23)C[C@H](OCc2ccccn2)CN1C1CCCCC1 C1CCC(CC1)[*:1] O=C1CN(Cc2cccc3cccnc23)C[C@@H](CN1[*:1])OCc1ccccn1
O=C1CN(Cc2cccc3cccnc23)C[C@H](OCc2ccccn2)CN1C1CCCCC1 c1cnc2c(cccc2c1)C[*:1] O=C1CN(C[C@@H](CN1C1CCCCC1)OCc1ccccn1)[*:1]
O=C1CN(Cc2cccc3cccnc23)C[C@H](OCc2ccccn2)CN1C1CCCCC1 c1ccc(CO[*:1])nc1 O=C1CN(Cc2cccc3cccnc23)C[C@H](CN1C1CCCCC1)[*:1]
CN(C)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)cc2n1 CN(C)[*:1] O=C(CC[C@@H]1CCCO1)N1CCC[C@H](C1)c1cc2nc(ncc2c(=O)[nH]1)[*:1]
CN(C)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)cc2n1 C1CO[C@@H](C1)C[*:1] CN(C)c1ncc2c(=O)[nH]c(cc2n1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CN(C)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)cc2n1 C1CO[C@@H](C1)[*:1] CN(C)c1ncc2c(=O)[nH]c(cc2n1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
CN(C)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)cc2n1 C1CO[C@@H](C1)CC[*:1] CN(C)c1ncc2c(=O)[nH]c(cc2n1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc2nc(CSCC(=O)NCCc3cccs3)cn2c1 c1csc(c1)CC[*:1] Cc1ccc2nc(cn2c1)CSCC(=O)N[*:1]
Cc1ccc2nc(CSCC(=O)NCCc3cccs3)cn2c1 c1csc(c1)C[*:1] Cc1ccc2nc(cn2c1)CSCC(=O)NC[*:1]
Cc1ccc2nc(CSCC(=O)NCCc3cccs3)cn2c1 c1csc(c1)[*:1] Cc1ccc2nc(cn2c1)CSCC(=O)NCC[*:1]
Cc1ccccc1CS(=O)(=O)C[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] Cc1ccccc1CS(=O)(=O)C[*:1]
CC[C@H](NC(=O)N1CCCCC[C@H]1c1ccco1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)N1CCCCC[C@H]1c1ccco1)[*:1]
CC[C@H](NC(=O)N1CCCCC[C@H]1c1ccco1)C(=O)N1CCOCC1 c1coc(c1)[*:1] CC[C@H](NC(=O)N1CCCCC[C@@H]1[*:1])C(=O)N1CCOCC1
Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)CC(=O)[O-] O=C([O-])C[*:1] Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)[*:1]
Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)CC(=O)[O-] O=C([O-])[*:1] Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)C[*:1]
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCc4ccccc4C3)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C1N[C@](C(=O)N1CN1CCc2ccccc2C1)(c1ccccc1)[*:1]
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCc4ccccc4C3)C2=O)cc1C c1ccc2CN(CCc2c1)[*:1] Cc1ccc(cc1C)[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCc4ccccc4C3)C2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)[C@@]1(NC(=O)N(CN2CCc3ccccc3C2)C1=O)[*:1]
COCCNC(=O)/C(C#N)=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 COCC[*:1] N#C/C(=C/C1CC/C(=C/c2ccccc2)/C=1N1CCOCC1)C(=O)N[*:1]
COCCNC(=O)/C(C#N)=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 C1CN(CCO1)[*:1] COCCNC(=O)/C(C#N)=C/C1CC/C(=C/c2ccccc2)/C=1[*:1]
COCCNC(=O)/C(C#N)=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 COC[*:1] N#C/C(=C/C1CC/C(=C/c2ccccc2)/C=1N1CCOCC1)C(=O)NC[*:1]
COCCNC(=O)/C(C#N)=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 COCCNC(=O)[*:1] N#CC(=C/C1CC/C(=C/c2ccccc2)/C=1N1CCOCC1)[*:1]
COCCNC(=O)/C(C#N)=C/C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 c1ccc(cc1)[*:1] COCCNC(=O)/C(C#N)=C/C1CCC(=C[*:1])/C=1N1CCOCC1
N#CC1=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@H]1c1ccc(F)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] N#CC1=C(NC(=O)C[C@H]1c1ccc(F)cc1)SCC(=O)N[*:1]
N#CC1=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@H]1c1ccc(F)cc1 O=[N+]([O-])[*:1] N#CC1=C(NC(=O)C[C@H]1c1ccc(F)cc1)SCC(=O)Nc1ccc(cc1)[*:1]
N#CC1=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CC1=C(NC(=O)C[C@@H]1[*:1])SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]
COc1ccc2c(c1)N(CC(=O)N(C)c1nccs1)C[C@H](C)O2 c1csc(n1)[*:1] COc1ccc2O[C@@H](C)CN(CC(=O)N(C)[*:1])c2c1
CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCN(C(=O)OCC)C2 O=C(N[*:1])c1cccs1 CCOC(=O)c1c(sc2CN(CCc21)C(=O)OCC)[*:1]
CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCN(C(=O)OCC)C2 CCOC(=O)[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)c1cccs1)c2[*:1]
CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCN(C(=O)OCC)C2 c1csc(c1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)C(=O)OCC
O=C([O-])C1CCN(C(=O)CSCc2ccccc2)CC1 O=C([O-])[*:1] O=C(CSCc1ccccc1)N1CCC(CC1)[*:1]
O=C([O-])C1CCN(C(=O)CSCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([O-])C1CCN(CC1)C(=O)CSC[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N(C)CCCc3ccccc3)cn2)n1 c1ccc(cc1)C[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N(C)CC[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N(C)CCCc3ccccc3)cn2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N(C)CCC[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N(C)CCCc3ccccc3)cn2)n1 Cc1cc(C)n(n1)[*:1] CN(CCCc1ccccc1)C(=O)c1ccc(nc1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N(C)CCCc3ccccc3)cn2)n1 c1ccc(cc1)CC[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)C(=O)N(C)C[*:1]
CCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccco2)CC1 CCCNC(=O)[*:1] O=C(N[C@H](C1CCN(CC1)C(=O)c1ccco1)[*:1])c1cccs1
CCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(CC1)C(=O)[*:1]
CCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccco2)CC1 O=C(N[*:1])c1cccs1 CCCNC(=O)[C@H](C1CCN(CC1)C(=O)c1ccco1)[*:1]
CCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccco2)CC1 CCC[*:1] O=C(N[C@@H](C(=O)N[*:1])C1CCN(CC1)C(=O)c1ccco1)c1cccs1
CCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccco2)CC1 c1csc(c1)[*:1] CCCNC(=O)[C@H](NC(=O)[*:1])C1CCN(CC1)C(=O)c1ccco1
C/C(=N\NC(=O)[C@H]1C=C(c2ccc(Cl)cc2)N=N1)c1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] CC(=NNC(=O)[C@H]1C=C(N=N1)c1ccc(Cl)cc1)[*:1]
C/C(=N\NC(=O)[C@H]1C=C(c2ccc(Cl)cc2)N=N1)c1cc(Cl)cc(Cl)c1 Clc1ccc(cc1)[*:1] C/C(=N\NC(=O)[C@H]1C=C(N=N1)[*:1])c1cc(Cl)cc(Cl)c1
CN(C(=O)NCCOc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 N#Cc1ccc(cc1)[*:1] CN(C(=O)NCCO[*:1])[C@H]1CCc2ccccc21
Cn1nnc2cc(C(=O)NCCc3nnc(-c4ccccc4)o3)ccc21 c1ccc(cc1)[*:1] Cn1nnc2cc(ccc21)C(=O)NCCc1nnc(o1)[*:1]
Cc1ccc(C)c(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)NCC(C)C)c1 CC(C)C[*:1] Cc1ccc(C)c(c1)-n1ccnc1S(=O)(=O)[C@@H](C)C(=O)N[*:1]
Cc1ccc(C)c(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)NCC(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)-n1ccnc1S(=O)(=O)[C@@H](C)C(=O)NC[*:1]
Cc1ccc(C)c(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)NCC(C)C)c1 Cc1ccc(C)c(c1)[*:1] CC(C)CNC(=O)[C@H](C)S(=O)(=O)c1nccn1[*:1]
Cc1ccc(C)c(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)NCC(C)C)c1 CC(C)CNC(=O)[*:1] Cc1ccc(C)c(c1)-n1ccnc1S(=O)(=O)[C@@H](C)[*:1]
CCOC(=O)CCS(=O)(=O)CC(C)C CC(C)[*:1] CCOC(=O)CCS(=O)(=O)C[*:1]
CCOC(=O)CCS(=O)(=O)CC(C)C CC(C)C[*:1] CCOC(=O)CCS(=O)(=O)[*:1]
O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)C(=O)Nc1cc(F)ccc1F FC(F)(F)[*:1] O=C(NC[C@](O)(c1ccccc1)[*:1])C(=O)Nc1cc(F)ccc1F
O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)C(=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)C(=O)N[*:1]
O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)C(=O)Nc1cc(F)ccc1F c1ccc(cc1)[*:1] O=C(NC[C@](O)(C(F)(F)F)[*:1])C(=O)Nc1cc(F)ccc1F
CCOc1ccc(NC(=O)NNc2ccc(F)cc2)cn1 CCO[*:1] O=C(NNc1ccc(F)cc1)Nc1ccc(nc1)[*:1]
CCOc1ccc(NC(=O)NNc2ccc(F)cc2)cn1 Fc1ccc(cc1)[*:1] CCOc1ccc(cn1)NC(=O)NN[*:1]
Cc1ccc(CNC(=O)[C@H](C)Oc2cccc(C=O)c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](Oc1cccc(C=O)c1)C(=O)NC[*:1]
Cc1ccc2ccccc2c1Cn1nnnc1C Cc1nnnn1[*:1] Cc1ccc2ccccc2c1C[*:1]
Cc1ccc2nc(Cl)c([C@@H]3CC(c4cccs4)=NN3S(C)(=O)=O)cc2c1 c1csc(c1)[*:1] Cc1ccc2nc(Cl)c(cc2c1)[C@@H]1CC(=NN1S(C)(=O)=O)[*:1]
CS(=O)(=O)c1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Fc1ccccc1C[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)O[*:1]
CS(=O)(=O)c1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)OC[*:1]
CS(=O)(=O)c1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Fc1ccccc1CO[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1 CS(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)OCc1ccccc1F
CC(C)Sc1ccccc1C(=O)N(CC(N)=O)C(C)C NC(=O)[*:1] CC(C)Sc1ccccc1C(=O)N(C[*:1])C(C)C
CC(C)Sc1ccccc1C(=O)N(CC(N)=O)C(C)C CC(C)S[*:1] CC(C)N(CC(N)=O)C(=O)c1ccccc1[*:1]
CC(C)Sc1ccccc1C(=O)N(CC(N)=O)C(C)C NC(=O)C[*:1] CC(C)Sc1ccccc1C(=O)N(C(C)C)[*:1]
CC(C)Sc1ccccc1C(=O)N(CC(N)=O)C(C)C CC(C)[*:1] CC(C)Sc1ccccc1C(=O)N(CC(N)=O)[*:1]
CC(C)Sc1ccccc1C(=O)N(CC(N)=O)C(C)C CC(C)[*:1] CC(C)N(CC(N)=O)C(=O)c1ccccc1S[*:1]
COc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C2CC2)cc1C NC(=O)C[*:1] COc1ccc(cc1C)S(=O)(=O)N[C@@H](C1CC1)[*:1]
COc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C2CC2)cc1C NC(=O)[*:1] COc1ccc(cc1C)S(=O)(=O)N[C@@H](C[*:1])C1CC1
COc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C2CC2)cc1C C1CC1[*:1] COc1ccc(cc1C)S(=O)(=O)N[C@@H](CC(N)=O)[*:1]
COc1cc(C)c(C(=O)Nc2cc(C)nn2-c2ccc(C)nn2)cc1OC Cc1ccc(nn1)[*:1] COc1cc(C)c(cc1OC)C(=O)Nc1cc(C)nn1[*:1]
c1ccc(C2=Nn3c(Cc4c[nH]c5ccccc45)nnc3SC2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c[nH]c2c1)Cc1nnc2SCC(=Nn12)[*:1]
Cn1ccnc1[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1F Fc1ccccc1[*:1] Cn1ccnc1[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[*:1]
Cn1ccnc1[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1F Clc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)C(C)(C)O[*:1])c1ccccc1F
Cn1ccnc1[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1F Cn1ccnc1[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1F)[*:1]
Cn1ccnc1[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1F Clc1ccc(cc1)O[*:1] Cn1ccnc1[C@H](NC(=O)C(C)(C)[*:1])c1ccccc1F
Cc1ccc(/C=C/C([O-])=N/S(=O)(=O)c2sc(C)nc2C)cc1 Cc1nc(C)c(s1)[*:1] Cc1ccc(/C=C/C([O-])=N/S(=O)(=O)[*:1])cc1
Cc1ccc(/C=C/C([O-])=N/S(=O)(=O)c2sc(C)nc2C)cc1 Cc1ccc(cc1)[*:1] Cc1nc(C)c(s1)S(=O)(=O)/N=C(\[O-])C=C[*:1]
CC(C)n1cc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cn1 Fc1ccc(cc1)[*:1] CC(C)n1cc(cn1)S(=O)(=O)N[C@@H](CC(F)(F)F)[*:1]
CC(C)n1cc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cn1 FC(F)(F)C[*:1] CC(C)n1cc(cn1)S(=O)(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)n1cc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cn1 FC(F)(F)[*:1] CC(C)n1cc(cn1)S(=O)(=O)N[C@@H](C[*:1])c1ccc(F)cc1
CC(C)n1cc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cn1 CC(C)[*:1] O=S(=O)(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cnn(c1)[*:1]
CC(C)n1cc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cn1 CC(C)n1cc(cn1)[*:1] O=S(=O)(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
C[C@H](O)[C@@H](C)N1C(=O)C(=O)c2cc(F)ccc21 C[C@H](O)[*:1] C[C@@H](N1C(=O)C(=O)c2cc(F)ccc21)[*:1]
N#Cc1ccc([C@@H](C(N)=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 C1CO[C@H](C1)[*:1] N#Cc1ccc(cc1)[C@@H](C(N)=O)N1CCC(CC1)OC[*:1]
N#Cc1ccc([C@@H](C(N)=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 NC(=O)[*:1] N#Cc1ccc(cc1)[C@@H](N1CCC(CC1)OC[C@H]1CCCO1)[*:1]
N#Cc1ccc([C@@H](C(N)=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 N#Cc1ccc(cc1)[*:1] NC(=O)[C@@H](N1CCC(CC1)OC[C@H]1CCCO1)[*:1]
N#Cc1ccc([C@@H](C(N)=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 C1CO[C@H](C1)C[*:1] N#Cc1ccc(cc1)[C@@H](C(N)=O)N1CCC(CC1)O[*:1]
N#Cc1ccc([C@@H](C(N)=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 C1CO[C@H](C1)CO[*:1] N#Cc1ccc(cc1)[C@@H](C(N)=O)N1CCC(CC1)[*:1]
O=C1N[C@H](C(=O)Nc2cnn(-c3ccccc3F)c2)CS1 Fc1ccccc1[*:1] O=C1N[C@@H](CS1)C(=O)Nc1cnn(c1)[*:1]
COc1cc(Cl)ccc1CNC(=O)Nc1nc(C(C)C)nn1C CC(C)[*:1] COc1cc(Cl)ccc1CNC(=O)Nc1nc(nn1C)[*:1]
CNC(=O)NCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 CNC(=O)N[*:1] C[C@H]1CCN(C(=O)C[*:1])[C@H]2CCCC[C@H]12
CNC(=O)NCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 CNC(=O)NC[*:1] C[C@H]1CCN(C(=O)[*:1])[C@H]2CCCC[C@H]12
COCCNC(=O)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] COCCNC(=O)Nc1ccc(cc1)[*:1]
COCCNC(=O)Nc1ccc(-c2ccccc2)cc1 COC[*:1] O=C(NC[*:1])Nc1ccc(cc1)-c1ccccc1
COCCNC(=O)Nc1ccc(-c2ccccc2)cc1 COCC[*:1] O=C(Nc1ccc(cc1)-c1ccccc1)N[*:1]
O=C(CC1(n2cccc2)CCCCC1)NCCO c1ccn(c1)[*:1] O=C(CC1(CCCCC1)[*:1])NCCO
O=C(CC1(n2cccc2)CCCCC1)NCCO OCC[*:1] O=C(CC1(CCCCC1)n1cccc1)N[*:1]
O=C(CC1(n2cccc2)CCCCC1)NCCO O=C(NCCO)[*:1] c1ccn(c1)C1(CCCCC1)C[*:1]
O=C(c1c(F)cccc1F)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1c(F)cccc1F)N1CCN(CC1)C[*:1]
O=C(c1c(F)cccc1F)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(c1c(F)cccc1F)N1CCN(CC1)[*:1]
O=C(c1c(F)cccc1F)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1c(F)cccc1F)N1CCN(CC1)CC[*:1]
O=C(c1c(F)cccc1F)N1CCN(CCc2ccccc2)CC1 Fc1cccc(F)c1[*:1] O=C(N1CCN(CCc2ccccc2)CC1)[*:1]
Cc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1[N+](=O)[O-] C1CC(C1)C[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@@H](C)[NH2+][*:1]
Cc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1[N+](=O)[O-] C1CC(C1)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@@H](C)[NH2+]C[*:1]
Cc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@@H](C)[NH2+]CC1CCC1
CCOc1ccc([C@@H]([NH3+])c2n[nH]c(-c3ccccn3)n2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])[C@@H]([NH3+])c1n[nH]c(n1)-c1ccccn1
CCOc1ccc([C@@H]([NH3+])c2n[nH]c(-c3ccccn3)n2)cc1OCC c1ccc(nc1)[*:1] CCOc1ccc(cc1OCC)[C@@H]([NH3+])c1n[nH]c(n1)[*:1]
CCOc1ccc([C@@H]([NH3+])c2n[nH]c(-c3ccccn3)n2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])[C@@H]([NH3+])c1n[nH]c(n1)-c1ccccn1
COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)c1 FC(F)(F)[*:1] COc1cccc(c1)[C@@H]1C[C@@H](n2ncc(C(=O)Nc3cccc(Cl)c3C)c2N1)[*:1]
COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)c1 Cc1c(Cl)cccc1[*:1] COc1cccc(c1)[C@@H]1C[C@H](n2ncc(C(=O)N[*:1])c2N1)C(F)(F)F
COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)c1 COc1cccc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)c1cnn2c1N[C@@H](C[C@H]2C(F)(F)F)[*:1]
Cc1cc([C@H]([NH3+])C(=O)[O-])ccc1Cl O=C([O-])[*:1] Cc1cc(ccc1Cl)[C@H]([NH3+])[*:1]
Cc1cc(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)no1 Cc1cc(no1)[*:1] O=C(N1CC(C1)c1nc(no1)-c1ncccn1)[*:1]
Cc1cc(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)no1 c1cnc(nc1)[*:1] Cc1cc(no1)C(=O)N1CC(C1)c1nc(no1)[*:1]
C=C(C)C(=O)Nc1ccc(/C=C/C(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] C=C(C)C(=O)Nc1ccc(/C=C/C(=O)[*:1])cc1
C=C(C)C(=O)Nc1ccc(/C=C/C(=O)c2ccccc2)cc1 C=C(C)C(=O)N[*:1] O=C(/C=C/c1ccc(cc1)[*:1])c1ccccc1
C=C(C)C(=O)Nc1ccc(/C=C/C(=O)c2ccccc2)cc1 C=C(C)[*:1] O=C(/C=C/c1ccc(cc1)NC(=O)[*:1])c1ccccc1
C[C@H](NC(=O)Nc1ccc(C(N)=O)cc1F)c1ccc(Cl)cc1 NC(=O)[*:1] C[C@H](NC(=O)Nc1ccc(cc1F)[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)Nc1ccc(C(N)=O)cc1F)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1F)C(N)=O)[*:1]
Cc1cc(NC(=O)COc2cccc(C#N)c2)no1 Cc1cc(no1)[*:1] N#Cc1cccc(c1)OCC(=O)N[*:1]
CN(C[C@H]1CCCO1)C(=O)NCc1ccc2c(c1)OCCO2 C1CO[C@H](C1)C[*:1] CN(C(=O)NCc1ccc2OCCOc2c1)[*:1]
CN(C[C@H]1CCCO1)C(=O)NCc1ccc2c(c1)OCCO2 C1CO[C@H](C1)[*:1] CN(C[*:1])C(=O)NCc1ccc2OCCOc2c1
CCOC(=O)c1cccc(NCc2cccc(C)n2)n1 CCOC(=O)[*:1] Cc1cccc(CNc2cccc(n2)[*:1])n1
COc1ccc(CNC(=O)CSc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc2c(=O)n(ccn12)-c1ccc(F)cc1)NC[*:1]
COc1ccc(CNC(=O)CSc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)cc1 COc1ccc(cc1)C[*:1] O=C(CSc1nnc2c(=O)n(ccn12)-c1ccc(F)cc1)N[*:1]
COc1ccc(CNC(=O)CSc2nnc3c(=O)n(-c4ccc(F)cc4)ccn23)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)CSc1nnc2c(=O)n(ccn12)[*:1]
CN(Cc1cnn(C)c1)C(=O)CNc1cccc2c1CCN(S(C)(=O)=O)C2 Cn1cc(cn1)C[*:1] CN(C(=O)CNc1cccc2CN(CCc21)S(C)(=O)=O)[*:1]
CN(Cc1cnn(C)c1)C(=O)CNc1cccc2c1CCN(S(C)(=O)=O)C2 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)CNc1cccc2CN(CCc21)S(C)(=O)=O
Cn1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c2ccccc21 Fc1ccc(cc1)[*:1] Cn1cc(C(=O)NNS(=O)(=O)[*:1])c2ccccc21
O=C1CNC(=O)N1CCCNc1nc(C(F)F)nc2ccccc12 O=C1CNC(=O)N1[*:1] FC(F)c1nc(NCCC[*:1])c2ccccc2n1
O=C1CNC(=O)N1CCCNc1nc(C(F)F)nc2ccccc12 FC(F)[*:1] O=C1CNC(=O)N1CCCNc1nc(nc2ccccc12)[*:1]
O=C1CNC(=O)N1CCCNc1nc(C(F)F)nc2ccccc12 O=C1CNC(=O)N1C[*:1] FC(F)c1nc(NCC[*:1])c2ccccc2n1
COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc2nc(C)sc2c1 COc1ccccc1C[*:1] Cc1nc2ccc(cc2s1)C(=O)N[C@H]1CCCc2c1cnn2[*:1]
COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc2nc(C)sc2c1 Cc1nc2ccc(cc2s1)[*:1] COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)[*:1]
COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc2nc(C)sc2c1 COc1ccccc1[*:1] Cc1nc2ccc(cc2s1)C(=O)N[C@H]1CCCc2c1cnn2C[*:1]
Clc1cccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c1 Clc1cccc(c1)OC[*:1] c1ccc2c(c1)ncn1nc(nc21)-c1ccc(o1)[*:1]
Clc1cccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c1 Clc1cccc(c1)O[*:1] c1ccc2c(c1)ncn1nc(nc21)-c1ccc(C[*:1])o1
Clc1cccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c1 Clc1cccc(c1)[*:1] c1ccc2c(c1)ncn1nc(nc21)-c1ccc(CO[*:1])o1
Cc1ccoc1C(=O)Nc1cccc([N+](=O)[O-])c1C Cc1ccoc1[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)[*:1]
Cc1ccoc1C(=O)Nc1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1ccoc1C(=O)Nc1cccc(c1C)[*:1]
C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 c1coc(c1)[*:1] C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(NC(=O)[*:1])c(Cl)c1
C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 O=C(N[*:1])c1ccco1 C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(C#N)cc3)nc12 N#Cc1ccc(cc1)[*:1] CCc1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)[*:1]
CC[C@H](C(=O)Nc1nnc(SCc2cc(=O)n3oc(C)cc3n2)s1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1nnc(SCc2cc(=O)n3oc(C)cc3n2)s1)[*:1]
CC[C@H](C(=O)Nc1nnc(SCc2cc(=O)n3oc(C)cc3n2)s1)c1ccccc1 CC[C@H](c1ccccc1)[*:1] Cc1cc2nc(cc(=O)n2o1)CSc1nnc(NC(=O)[*:1])s1
COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1cc(C)ccc1C Fc1ccc(cc1)[*:1] COc1ccc2c(c1)c(=O)c(cn2CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)[*:1]
COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1cc(C)ccc1C O=S(=O)(c1ccc(F)cc1)[*:1] COc1ccc2c(c1)c(=O)c(cn2CC(=O)Nc1cc(C)ccc1C)[*:1]
COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] COc1ccc2c(c1)c(=O)c(cn2CC(=O)N[*:1])S(=O)(=O)c1ccc(F)cc1
COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1cc(C)ccc1C Cc1ccc(C)c(c1)NC(=O)[*:1] COc1ccc2c(c1)c(=O)c(cn2C[*:1])S(=O)(=O)c1ccc(F)cc1
C[C@H]1Oc2ccccc2N(CCC2OCCCO2)C1=O C1COC(OC1)[*:1] C[C@H]1Oc2ccccc2N(CC[*:1])C1=O
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
CN(C(=O)c1cn(C)nc1C(C)(C)C)c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(C(=O)c1cn(C)nc1C(C)(C)C)[*:1]
CN(C(=O)c1cn(C)nc1C(C)(C)C)c1cccc(F)c1 CC(C)(C)[*:1] CN(C(=O)c1cn(C)nc1[*:1])c1cccc(F)c1
O=C(NCCCN1CCOCC1)N[C@H]1CCc2ccccc21 C1CN(CCO1)[*:1] O=C(NCCC[*:1])N[C@H]1CCc2ccccc21
O=C(NCCCN1CCOCC1)N[C@H]1CCc2ccccc21 C1CN(CCO1)C[*:1] O=C(NCC[*:1])N[C@H]1CCc2ccccc21
O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccn2c(=O)[nH]nc12 FC(F)(F)[*:1] O=C(NCCC[NH+]1CCN(CC1)c1cccc(c1)[*:1])c1cccn2c(=O)[nH]nc12
O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccn2c(=O)[nH]nc12 O=c1[nH]nc2c(cccn12)[*:1] O=C(NCCC[NH+]1CCN(CC1)c1cccc(c1)C(F)(F)F)[*:1]
O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccn2c(=O)[nH]nc12 FC(F)(F)c1cccc(c1)[*:1] O=C(NCCC[NH+]1CCN(CC1)[*:1])c1cccn2c(=O)[nH]nc12
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)Cc1ccc[nH]1 Clc1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)Cc1ccc[nH]1)[*:1]
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] Cc1cc(ccc1NC(=O)C[*:1])-c1cccc(Cl)c1
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] Cc1cc(ccc1NC(=O)[*:1])-c1cccc(Cl)c1
COc1ccccc1Oc1ccc(NC(=O)N(C)CC[C@@H](C)O)cc1 COc1ccccc1[*:1] C[C@@H](O)CCN(C)C(=O)Nc1ccc(cc1)O[*:1]
CCCC1(CNC(=O)C(=O)Nc2ccc(C)nc2Br)CCC1 CCCC1(CCC1)[*:1] Cc1ccc(NC(=O)C(=O)NC[*:1])c(Br)n1
CCCC1(CNC(=O)C(=O)Nc2ccc(C)nc2Br)CCC1 CCC[*:1] Cc1ccc(NC(=O)C(=O)NCC2(CCC2)[*:1])c(Br)n1
O=C(C[NH+]1CCNCC1)C1CC1 C1CC1[*:1] O=C(C[NH+]1CCNCC1)[*:1]
O=C(Nn1cnnc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nn1cnnc1)[C@@H]1CCCN1S(=O)(=O)[*:1]
C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)[O-])c2C1 c1coc(c1)[*:1] C[C@H]1CC(=C[*:1])c2nc3ccccc3c(C(=O)[O-])c2C1
C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)[O-])c2C1 O=C([O-])[*:1] C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(c2C1)[*:1]
CCc1ccc2oc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc(=O)c2c1 Clc1ccccc1[*:1] CCc1ccc2oc(cc(=O)c2c1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CCOc1cc2c(cc1OCC)CN(C(=O)NCc1cc[nH]n1)CC2 CCO[*:1] CCOc1cc2CCN(Cc2cc1[*:1])C(=O)NCc1cc[nH]n1
CCOc1cc2c(cc1OCC)CN(C(=O)NCc1cc[nH]n1)CC2 CCO[*:1] CCOc1cc2CN(CCc2cc1[*:1])C(=O)NCc1cc[nH]n1
COc1ccc([C@H](C)NC(=O)N(C)Cc2nnc(C)n2C)cc1OC Cc1nnc(n1C)[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)N(C)C[*:1]
COc1ccc([C@H](C)NC(=O)N(C)Cc2nnc(C)n2C)cc1OC Cc1nnc(C[*:1])n1C COc1ccc(cc1OC)[C@H](C)NC(=O)N(C)[*:1]
C[C@@H](Nc1ncc(C(N)=O)cc1Cl)c1ccc2c(c1)OCCO2 NC(=O)[*:1] C[C@@H](Nc1ncc(cc1Cl)[*:1])c1ccc2OCCOc2c1
C=CCN(CC=C)C(=O)c1csc(Nc2ccccc2C)n1 C=CC[*:1] C=CCN(C(=O)c1csc(n1)Nc1ccccc1C)[*:1]
C=CCN(CC=C)C(=O)c1csc(Nc2ccccc2C)n1 Cc1ccccc1[*:1] C=CCN(CC=C)C(=O)c1csc(n1)N[*:1]
COC[C@H](C)Oc1ccc(C[NH2+]C(C)C)nc1 COC[*:1] CC(C)[NH2+]Cc1ccc(cn1)O[C@@H](C)[*:1]
COC[C@H](C)Oc1ccc(C[NH2+]C(C)C)nc1 CC(C)[*:1] COC[C@H](C)Oc1ccc(C[NH2+][*:1])nc1
COC[C@H](C)Oc1ccc(C[NH2+]C(C)C)nc1 COC[C@H](C)[*:1] CC(C)[NH2+]Cc1ccc(cn1)O[*:1]
Cn1nnnc1SCc1cc([O-])n2nc(SCc3ccccc3)nc2n1 c1ccc(cc1)[*:1] Cn1nnnc1SCc1cc([O-])n2nc(nc2n1)SC[*:1]
Cn1nnnc1SCc1cc([O-])n2nc(SCc3ccccc3)nc2n1 Cn1nnnc1S[*:1] [O-]c1cc(C[*:1])nc2nc(nn12)SCc1ccccc1
Cn1nnnc1SCc1cc([O-])n2nc(SCc3ccccc3)nc2n1 Cn1nnnc1[*:1] [O-]c1cc(CS[*:1])nc2nc(nn12)SCc1ccccc1
Cn1nnnc1SCc1cc([O-])n2nc(SCc3ccccc3)nc2n1 c1ccc(cc1)CS[*:1] Cn1nnnc1SCc1cc([O-])n2nc(nc2n1)[*:1]
Cn1nnnc1SCc1cc([O-])n2nc(SCc3ccccc3)nc2n1 Cn1nnnc1SC[*:1] [O-]c1cc(nc2nc(nn12)SCc1ccccc1)[*:1]
Cn1nnnc1SCc1cc([O-])n2nc(SCc3ccccc3)nc2n1 c1ccc(cc1)C[*:1] Cn1nnnc1SCc1cc([O-])n2nc(nc2n1)S[*:1]
C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(-c2ccccc2)cc1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)c1cc(ccc1Br)[*:1])c1ccc(cc1)-c1ccccc1
C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cc(ccc1Br)S(N)(=O)=O)c1ccc(cc1)[*:1]
COc1cc(NS(=O)(=O)c2cc(C(N)=O)sc2C)c(OC)cc1Cl NC(=O)[*:1] COc1cc(NS(=O)(=O)c2cc(sc2C)[*:1])c(cc1Cl)OC
Cc1oc2cc3c(cc2c1C)[C@H](C)[C@@H](CC(=O)N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-])C(=O)O3 O=C([O-])[*:1] Cc1oc2cc3OC(=O)[C@H](CC(=O)N[C@H](CC4C[NH+]=c5ccccc5=4)[*:1])[C@@H](C)c3cc2c1C
CCC[C@@H]1CN(Cc2cnn(-c3ccccc3)n2)CC[NH2+]1 CCC[*:1] c1ccc(cc1)-n1ncc(CN2CC[NH2+][C@@H](C2)[*:1])n1
CCC[C@@H]1CN(Cc2cnn(-c3ccccc3)n2)CC[NH2+]1 c1ccc(cc1)[*:1] CCC[C@@H]1CN(CC[NH2+]1)Cc1cnn(n1)[*:1]
Cc1cc2ncn(C[C@@H](O)COCc3ccc(Cl)cc3)c2cc1C Clc1ccc(cc1)[*:1] Cc1cc2ncn(C[C@@H](O)COC[*:1])c2cc1C
Cc1cc2ncn(C[C@@H](O)COCc3ccc(Cl)cc3)c2cc1C Clc1ccc(cc1)C[*:1] Cc1cc2ncn(C[C@@H](O)CO[*:1])c2cc1C
COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c2ccccc12 c1ccc(cc1)[*:1] COc1ccc(NC(=O)c2ccc(cc2)NS(=O)(=O)[*:1])c2ccccc12
COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c2ccccc12 O=S(=O)(N[*:1])c1ccccc1 COc1ccc(NC(=O)c2ccc(cc2)[*:1])c2ccccc12
CCOc1cccnc1-c1nc(-c2cccc(OC)c2)no1 CCO[*:1] COc1cccc(c1)-c1noc(n1)-c1ncccc1[*:1]
NC(=O)C[C@H]1CCCCN1C(=O)Nc1cccc(OCc2ccccc2)c1 NC(=O)C[*:1] O=C(Nc1cccc(c1)OCc1ccccc1)N1CCCC[C@@H]1[*:1]
NC(=O)C[C@H]1CCCCN1C(=O)Nc1cccc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] NC(=O)C[C@H]1CCCCN1C(=O)Nc1cccc(c1)[*:1]
NC(=O)C[C@H]1CCCCN1C(=O)Nc1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] NC(=O)C[C@H]1CCCCN1C(=O)Nc1cccc(c1)O[*:1]
NC(=O)C[C@H]1CCCCN1C(=O)Nc1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] NC(=O)C[C@H]1CCCCN1C(=O)Nc1cccc(c1)OC[*:1]
NC(=O)C[C@H]1CCCCN1C(=O)Nc1cccc(OCc2ccccc2)c1 NC(=O)[*:1] O=C(Nc1cccc(c1)OCc1ccccc1)N1CCCC[C@@H]1C[*:1]
C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@H](c2ccccc2)O1 Clc1ccc(s1)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)c1c[nH]cc1[*:1]
C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)[*:1])C(=O)c1c[nH]cc1-c1ccc(Cl)s1
CCC[NH2+][C@@H]([C@@H]1CCC[C@H](C)C1)C(C)(C)N1CCOCC1 CCC[*:1] C[C@H]1CCC[C@H](C1)[C@H]([NH2+][*:1])C(C)(C)N1CCOCC1
CCC[NH2+][C@@H]([C@@H]1CCC[C@H](C)C1)C(C)(C)N1CCOCC1 C[C@H]1CCC[C@H](C1)[*:1] CCC[NH2+][C@@H](C(C)(C)N1CCOCC1)[*:1]
CCC[NH2+][C@@H]([C@@H]1CCC[C@H](C)C1)C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] CCC[NH2+][C@@H]([C@@H]1CCC[C@H](C)C1)C(C)(C)[*:1]
O=C([O-])c1nnn(Cc2ccccc2Cl)c1-c1ccc(Cl)cc1 O=C([O-])[*:1] Clc1ccc(cc1)-c1c(nnn1Cc1ccccc1Cl)[*:1]
O=C([O-])c1nnn(Cc2ccccc2Cl)c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C([O-])c1nnn(Cc2ccccc2Cl)c1[*:1]
O=C([O-])c1nnn(Cc2ccccc2Cl)c1-c1ccc(Cl)cc1 Clc1ccccc1[*:1] O=C([O-])c1nnn(C[*:1])c1-c1ccc(Cl)cc1
CC(=O)NC[C@@H]1CCCN(C(=O)c2cc3cc(C)ccc3nc2C)C1 CC(=O)N[*:1] Cc1ccc2nc(C)c(cc2c1)C(=O)N1CCC[C@H](C1)C[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)c2cc3cc(C)ccc3nc2C)C1 CC(=O)NC[*:1] Cc1ccc2nc(C)c(cc2c1)C(=O)N1CCC[C@H](C1)[*:1]
COCCOc1ccccc1CN1CCC[C@H]([NH+]2CCCC2)CC1 COCCO[*:1] c1ccc(c(c1)CN1CCC[C@@H](CC1)[NH+]1CCCC1)[*:1]
COCCOc1ccccc1CN1CCC[C@H]([NH+]2CCCC2)CC1 COCC[*:1] c1ccc(O[*:1])c(c1)CN1CCC[C@@H](CC1)[NH+]1CCCC1
COCCOc1ccccc1CN1CCC[C@H]([NH+]2CCCC2)CC1 COC[*:1] c1ccc(OC[*:1])c(c1)CN1CCC[C@@H](CC1)[NH+]1CCCC1
C[C@H](CC(=O)[O-])Sc1ccc(F)cc1 O=C([O-])[*:1] C[C@H](C[*:1])Sc1ccc(F)cc1
C[C@H](CC(=O)[O-])Sc1ccc(F)cc1 O=C([O-])C[*:1] C[C@H](Sc1ccc(F)cc1)[*:1]
COCC[C@H](C)NC(=O)N1[C@@H](C)CCC[C@@H]1C COC[*:1] C[C@@H](C[*:1])NC(=O)N1[C@@H](C)CCC[C@@H]1C
COCC[C@H](C)NC(=O)N1[C@@H](C)CCC[C@@H]1C COCC[*:1] C[C@H]1CCC[C@H](C)N1C(=O)N[C@@H](C)[*:1]
COC[C@@H](C)Oc1ncnc(OC(C)C)c1N CC(C)O[*:1] COC[C@@H](C)Oc1ncnc(c1N)[*:1]
COC[C@@H](C)Oc1ncnc(OC(C)C)c1N CC(C)[*:1] COC[C@@H](C)Oc1ncnc(O[*:1])c1N
COC[C@@H](C)Oc1ncnc(OC(C)C)c1N COC[C@@H](C)[*:1] CC(C)Oc1ncnc(O[*:1])c1N
COC[C@@H](C)Oc1ncnc(OC(C)C)c1N COC[*:1] CC(C)Oc1ncnc(O[C@H](C)[*:1])c1N
CC(=O)Nc1cc(Cl)ccc1NC(=O)c1c[nH]c2cccc(F)c12 CC(=O)N[*:1] O=C(Nc1ccc(Cl)cc1[*:1])c1c[nH]c2cccc(F)c12
COc1ccc([C@@H]2C(C(C)=O)=C(C)N=C3SCC(=O)N32)c(OC)c1 CC(=O)[*:1] COc1ccc(c(c1)OC)[C@@H]1C(=C(C)N=C2SCC(=O)N21)[*:1]
CC(C)(C)NC(=O)CS/C(=N\c1cccc(F)c1)[N-]C#N Fc1cccc(c1)[*:1] CC(C)(C)NC(=O)CSC(=N[*:1])[N-]C#N
CC(C)(C)NC(=O)CS/C(=N\c1cccc(F)c1)[N-]C#N CC(C)(C)[*:1] N#C[N-]/C(=N/c1cccc(F)c1)SCC(=O)N[*:1]
CC(C)(C)NC(=O)CS/C(=N\c1cccc(F)c1)[N-]C#N CC(C)(C)NC(=O)[*:1] N#C[N-]/C(=N/c1cccc(F)c1)SC[*:1]
COc1ccccc1S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] O=C([O-])[*:1] COc1ccccc1S(=O)(=O)[C@@H](C)[C@H](C)[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
CCCCCNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 CCCCC[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)N[*:1]
CCCCCNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 CCCC[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)NC[*:1]
CCCCCNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 CCC[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)NCC[*:1]
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1 O=C([O-])[*:1] CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1 CC(C)(C)[*:1] O=C(N[C@@H](C(=O)[O-])c1ccc(cc1)[N+](=O)[O-])O[*:1]
CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1 c1coc(c1)[*:1] CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)C=C[*:1]
CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1 C(=C[*:1])c1ccco1 CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)[*:1]
CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1 CC(C)N(C)C(=O)[*:1] O=C(/C=C/c1ccco1)N1CSC[C@H]1[*:1]
CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1 CC(C)[*:1] CN(C(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccco1)[*:1]
Cc1cc(C(=O)NNC(=O)Nc2ccc(F)cc2F)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NNC(=O)[*:1])Nc1ccc(F)cc1F
Cc1cc2nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c2[nH]1 c1coc(c1)C[*:1] Cc1cc2nc(SCC(=O)Nc3cc(Cl)ccc3C)n(c(=O)c2[nH]1)[*:1]
Cc1cc2nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c2[nH]1 Cc1ccc(Cl)cc1[*:1] Cc1cc2nc(SCC(=O)N[*:1])n(Cc3ccco3)c(=O)c2[nH]1
Cc1cc2nc(SCC(=O)Nc3cc(Cl)ccc3C)n(Cc3ccco3)c(=O)c2[nH]1 c1coc(c1)[*:1] Cc1cc2nc(SCC(=O)Nc3cc(Cl)ccc3C)n(C[*:1])c(=O)c2[nH]1
CCCOc1ccc(C(=O)NCc2ccccc2Cl)cc1Br CCC[*:1] O=C(NCc1ccccc1Cl)c1ccc(O[*:1])c(Br)c1
CCCOc1ccc(C(=O)NCc2ccccc2Cl)cc1Br CCCO[*:1] O=C(NCc1ccccc1Cl)c1ccc(c(Br)c1)[*:1]
CCCOc1ccc(C(=O)NCc2ccccc2Cl)cc1Br Clc1ccccc1[*:1] CCCOc1ccc(cc1Br)C(=O)NC[*:1]
CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@H](C)n1nccc1C)C2 Cc1ccnn1[*:1] CC(=O)N1CCCC[C@H]1c1ncc2CN(CCc2n1)C(=O)[C@H](C)[*:1]
CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)[C@H](C)n1nccc1C)C2 CC(=O)N1CCCC[C@@H]1[*:1] Cc1ccnn1[C@@H](C)C(=O)N1CCc2nc(ncc2C1)[*:1]
CCc1cccc(NC(=O)C(=O)NCc2cccnc2)c1 c1cncc(c1)C[*:1] CCc1cccc(c1)NC(=O)C(=O)N[*:1]
CCc1cccc(NC(=O)C(=O)NCc2cccnc2)c1 c1cncc(c1)[*:1] CCc1cccc(c1)NC(=O)C(=O)NC[*:1]
Cc1ccc(C)n1CCN1CCN(C(=O)[C@@H]2N=NC3=C2CCc2ccccc23)CC1 Cc1ccc(C)n1[*:1] O=C([C@@H]1N=NC2=C1CCc1ccccc12)N1CCN(CC1)CC[*:1]
Cc1ccc(C)n1CCN1CCN(C(=O)[C@@H]2N=NC3=C2CCc2ccccc23)CC1 Cc1ccc(C)n1CC[*:1] O=C([C@@H]1N=NC2=C1CCc1ccccc12)N1CCN(CC1)[*:1]
Cc1ccc(C)n1CCN1CCN(C(=O)[C@@H]2N=NC3=C2CCc2ccccc23)CC1 Cc1ccc(C)n1C[*:1] O=C([C@@H]1N=NC2=C1CCc1ccccc12)N1CCN(CC1)C[*:1]
COc1ccc([C@@H](O)[C@H](C)NC(=O)c2c(C)nn3cccnc23)cc1 COc1ccc(cc1)[*:1] Cc1nn2cccnc2c1C(=O)N[C@@H](C)[C@H](O)[*:1]
CSC[C@@](C)(O)CNC(=O)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] CSC[C@@](C)(O)CNC(=O)c1cc(on1)[*:1]
CSC[C@@](C)(O)CNC(=O)c1cc(-c2ccccc2)on1 CSC[*:1] C[C@@](O)(CNC(=O)c1cc(on1)-c1ccccc1)[*:1]
COC[C@H](C)[C@@](C)(O)C(=O)[O-] O=C([O-])[*:1] COC[C@H](C)[C@@](C)(O)[*:1]
COC[C@H](C)[C@@](C)(O)C(=O)[O-] COC[*:1] C[C@H]([C@@](C)(O)C(=O)[O-])[*:1]
O=c1[nH]c2c(c(=O)n1C[C@@H]1CCCO1)C1(CCCCC1)Cc1ccccc1-2 C1CO[C@@H](C1)C[*:1] O=c1[nH]c2-c3ccccc3CC3(CCCCC3)c2c(=O)n1[*:1]
CSc1nc2nc(C)c(CC(=O)N(C)Cc3ccccc3N3CCCC3)c(C)n2n1 C1CCN(C1)[*:1] CSc1nc2nc(C)c(CC(=O)N(C)Cc3ccccc3[*:1])c(C)n2n1
O=C([O-])[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 O=C([O-])[*:1] C1C[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)[C@H](C1)[*:1]
CN(C1CC1)[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 C1CC1[*:1] CN([C@@H](C[NH3+])c1cccc(c1)C(F)(F)F)[*:1]
CN(C1CC1)[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CN(C1CC1)[C@@H](C[NH3+])c1cccc(c1)[*:1]
CN(C1CC1)[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 CN(C1CC1)[*:1] [NH3+]C[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CC[C@H](CC#N)Nc1cccc2c1CCCC2 N#CC[*:1] CC[C@H](Nc1cccc2CCCCc21)[*:1]
COCCN1CCC[C@@H]([NH3+])C1 COC[*:1] [NH3+][C@@H]1CCCN(C1)C[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N[C@H](C)c1ccc(cc1)S(N)(=O)=O
C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 Clc1cccc(c1)O[*:1] C[C@H](C(=O)N[C@H](C)c1ccc(cc1)S(N)(=O)=O)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc1 Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)NC2COC2)cc1O C1OCC1[*:1] Cc1ccc(cc1O)C(=O)N[*:1]
CC(C)[C@H](C)[S@@](=O)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 CC(C)[*:1] C[C@@H](C(=O)Nc1ccc2OCCOc2c1)[S@](=O)[C@@H](C)[*:1]
COCc1ccc(S(=O)(=O)CC(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] COCc1ccc(cc1)S(=O)(=O)CC(=O)N[*:1]
COCc1ccc(S(=O)(=O)CC(=O)NCc2ccc(Cl)cc2)cc1 COC[*:1] O=C(CS(=O)(=O)c1ccc(cc1)[*:1])NCc1ccc(Cl)cc1
COCc1ccc(S(=O)(=O)CC(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COCc1ccc(cc1)S(=O)(=O)CC(=O)NC[*:1]
Cc1c(C(=O)NC(=O)NNc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1 O=[N+]([O-])[*:1] Cc1c(cnn1-c1ccccc1)C(=O)NC(=O)NNc1ccc(cc1)[*:1]
Cc1c(C(=O)NC(=O)NNc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)NC(=O)NN[*:1]
Cc1c(C(=O)NC(=O)NNc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)NC(=O)NNc1ccc(cc1)[N+](=O)[O-]
CC(C)C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] CC(C)C(=O)Nc1ccccc1[*:1]
CC(C)C(=O)Nc1ccccc1C(F)(F)F CC(C)[*:1] O=C(Nc1ccccc1C(F)(F)F)[*:1]
NCC(=O)c1ccc(F)cc1F NCC(=O)[*:1] Fc1ccc(c(F)c1)[*:1]
COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 Fc1ccccc1[*:1] COC(=O)C1=C(N)N(C2CC(C)(C)CC(=O)C=2[C@H]1c1ccc(cc1)OC)[*:1]
COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@@H]1C2C(=O)CC(C)(C)CC=2N(C(N)=C1[*:1])c1ccccc1F
COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)C1=C(N)N(C2CC(C)(C)CC(=O)C=2[C@@H]1[*:1])c1ccccc1F
Cc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cn1 Cc1ccc(cn1)[*:1] O=C(Nc1cc2OCCCOc2cc1[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cn1 O=[N+]([O-])[*:1] Cc1ccc(cn1)C(=O)Nc1cc2OCCCOc2cc1[*:1]
CC[C@@](C)([NH3+])C(=O)Nc1ccc(CCO)cc1 OCC[*:1] CC[C@@](C)([NH3+])C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](Oc1ccccc1N)C(=O)c1cc(C)ccc1OC Nc1ccccc1[*:1] CC[C@@H](O[*:1])C(=O)c1cc(C)ccc1OC
CCOc1ccc2nc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)sc2c1 CCO[*:1] O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc2ccc(cc2s1)[*:1]
O=C(Nc1ccccc1C(=O)c1ccccc1)c1cnn(-c2ccc(F)cc2)c1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)[*:1])c1cnn(c1)-c1ccc(F)cc1
O=C(Nc1ccccc1C(=O)c1ccccc1)c1cnn(-c2ccc(F)cc2)c1 O=C(c1ccccc1)[*:1] O=C(Nc1ccccc1[*:1])c1cnn(c1)-c1ccc(F)cc1
O=C(Nc1ccccc1C(=O)c1ccccc1)c1cnn(-c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)c1ccccc1)c1cnn(c1)[*:1]
O=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)NCc1ccncc1 Oc1ccccc1[*:1] O=C(C[C@@H](c1cccc(Cl)c1)[*:1])NCc1ccncc1
O=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)NCc1ccncc1 Clc1cccc(c1)[*:1] O=C(C[C@@H](c1ccccc1O)[*:1])NCc1ccncc1
O=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)NCc1ccncc1 c1cc(ccn1)C[*:1] O=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)N[*:1]
O=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)NCc1ccncc1 c1cc(ccn1)[*:1] O=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)NC[*:1]
CCOC(=O)Nc1ccc2nc(N3CCCCCC3)sc2c1 C1CCCN(CC1)[*:1] CCOC(=O)Nc1ccc2nc(sc2c1)[*:1]
CCOC(=O)Nc1ccc2nc(N3CCCCCC3)sc2c1 CCOC(=O)N[*:1] c1cc2nc(sc2cc1[*:1])N1CCCCCC1
O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCC(n2cc[nH+]c2)CC1 C1CC1[*:1] O=C(c1cc(nc2ccc(F)cc12)[*:1])N1CCC(CC1)n1cc[nH+]c1
COc1ccc(C(=O)OCC(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)OCC(=O)N1CCC(C)CC1
COc1ccc(C(=O)N2CCC(n3nnc4c(O)nc(C5CC5)nc43)CC2)cc1 COc1ccc(cc1)[*:1] O=C(N1CCC(CC1)n1nnc2c(O)nc(nc21)C1CC1)[*:1]
COc1ccc(C(=O)N2CCC(n3nnc4c(O)nc(C5CC5)nc43)CC2)cc1 C1CC1[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)n1nnc2c(O)nc(nc21)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccccc2N2CCOCC2)C1 C1CN(CCO1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1ccccc1[*:1]
CC[C@H](C)n1ncc(C(=O)NNc2ccccc2Cl)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)NNc2ccccc2Cl)c1[*:1]
CC[C@H](C)n1ncc(C(=O)NNc2ccccc2Cl)c1C1CC1 Clc1ccccc1[*:1] CC[C@H](C)n1ncc(C(=O)NN[*:1])c1C1CC1
Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C)n1-c1nccs1 c1csc(n1)[*:1] Cc1cc(C(=O)Cn2cnc(c2)[N+](=O)[O-])c(C)n1[*:1]
Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C)n1-c1nccs1 O=[N+]([O-])[*:1] Cc1cc(C(=O)Cn2cnc(c2)[*:1])c(C)n1-c1nccs1
CCN(Cc1ccccn1)c1[nH+]c(C)cc(C)c1C(=O)[O-] O=C([O-])[*:1] CCN(Cc1ccccn1)c1[nH+]c(C)cc(C)c1[*:1]
CCN(Cc1ccccn1)c1[nH+]c(C)cc(C)c1C(=O)[O-] c1ccc(C[*:1])nc1 CCN(c1[nH+]c(C)cc(C)c1C(=O)[O-])[*:1]
CCN(Cc1ccccn1)c1[nH+]c(C)cc(C)c1C(=O)[O-] c1ccc(nc1)[*:1] CCN(C[*:1])c1[nH+]c(C)cc(C)c1C(=O)[O-]
C[C@@H](O)CNC(=O)NC[C@H]1CCS(=O)(=O)C1 C[C@@H](O)C[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)N[*:1]
C[C@@H](O)CNC(=O)NC[C@H]1CCS(=O)(=O)C1 C[C@@H](O)[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)NC[*:1]
CCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1CC CC(C)(C)[*:1] CCc1nnc(SCC(=O)Nc2sc3C[C@@H](CCc3c2C#N)[*:1])n1CC
CCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1CC CCc1nnc(n1CC)[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)CS[*:1])c2C#N
Cn1cc(C(=O)OCC(F)(F)F)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)OCC(F)(F)F)c(n1)[*:1]
Cn1cc(C(=O)OCC(F)(F)F)c(C(C)(C)C)n1 FC(F)(F)[*:1] Cn1cc(C(=O)OC[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)OCC(F)(F)F)c(C(C)(C)C)n1 FC(F)(F)C[*:1] Cn1cc(C(=O)O[*:1])c(n1)C(C)(C)C
CC(C)(C)[C@@H](O)[C@]1(C[NH3+])CCCc2ccccc21 CC(C)(C)[C@@H](O)[*:1] [NH3+]C[C@@]1(CCCc2ccccc21)[*:1]
CC(C)(C)[C@@H](O)[C@]1(C[NH3+])CCCc2ccccc21 CC(C)(C)[*:1] [NH3+]C[C@]1(CCCc2ccccc21)[C@H](O)[*:1]
COc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1C c1ccc(nc1)[*:1] COc1ccc(cc1C)NC(=O)C(=O)N[C@H](c1ccccc1)[*:1]
COc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1C c1ccc(cc1)[*:1] COc1ccc(cc1C)NC(=O)C(=O)N[C@H](c1ccccn1)[*:1]
COc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1C COc1ccc(cc1C)[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)C(=O)N[*:1]
CCOc1cccc(CO)c1OCc1cc(F)cc(Br)c1 CCO[*:1] OCc1cccc(c1OCc1cc(F)cc(Br)c1)[*:1]
O=C(N[C@H]1C=C[C@@H](C(=O)[O-])C1)c1ccc(CO)cc1 O=C([O-])[*:1] O=C(N[C@H]1C=C[C@@H](C1)[*:1])c1ccc(cc1)CO
COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1OC c1n[nH]cc1[*:1] COc1ccc(cc1OC)S(=O)(=O)N1CCCC[C@@H]1[*:1]
O=C(Nc1ccncc1)c1ccc(COc2ccccc2Br)o1 c1cc(ccn1)[*:1] O=C(N[*:1])c1ccc(COc2ccccc2Br)o1
O=C(Nc1ccncc1)c1ccc(COc2ccccc2Br)o1 Brc1ccccc1[*:1] O=C(Nc1ccncc1)c1ccc(CO[*:1])o1
COc1cccc([C@H]2[C@H](C(=O)Nc3ccc(C)cc3C)[C@@H](C)Nc3ncnn32)c1OC COc1cccc(c1OC)[*:1] Cc1ccc(NC(=O)[C@@H]2[C@@H](C)Nc3ncnn3[C@H]2[*:1])c(C)c1
COc1cccc([C@H]2[C@H](C(=O)Nc3ccc(C)cc3C)[C@@H](C)Nc3ncnn32)c1OC Cc1ccc(c(C)c1)[*:1] COc1cccc(c1OC)[C@H]1[C@H](C(=O)N[*:1])[C@@H](C)Nc2ncnn21
CCCCc1noc([C@H](C)Sc2ncnc3sc(C)cc23)n1 CCCC[*:1] Cc1cc2c(ncnc2s1)S[C@@H](C)c1nc(no1)[*:1]
CCCCc1noc([C@H](C)Sc2ncnc3sc(C)cc23)n1 CCC[*:1] Cc1cc2c(ncnc2s1)S[C@@H](C)c1nc(C[*:1])no1
Cc1cccc(/C=c2\sc(=C(C#N)C#N)n(C3CC3)c2=O)c1C C1CC1[*:1] Cc1cccc(/C=c2\sc(=C(C#N)C#N)n(c2=O)[*:1])c1C
CCOCc1ccc(CNC(=O)c2cc(C#N)cs2)cc1 N#Cc1csc(c1)[*:1] CCOCc1ccc(cc1)CNC(=O)[*:1]
CCOCc1ccc(CNC(=O)c2cc(C#N)cs2)cc1 CCOC[*:1] N#Cc1csc(c1)C(=O)NCc1ccc(cc1)[*:1]
CCOCc1ccc(CNC(=O)c2cc(C#N)cs2)cc1 CCO[*:1] N#Cc1csc(c1)C(=O)NCc1ccc(cc1)C[*:1]
CCCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1C CCCC[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)c1ccco1
CCCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1C CCC[*:1] Cc1c(cccc1NC(=O)c1ccco1)NC(=O)C[*:1]
CCCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1C CCCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccco1
CCCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1C c1coc(c1)[*:1] CCCCC(=O)Nc1cccc(NC(=O)[*:1])c1C
c1ccc([C@H](C[NH2+][C@@H](c2ccccn2)C2CCCC2)N2CCOCC2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)[C@H]([NH2+]C[C@H](N1CCOCC1)[*:1])C1CCCC1
c1ccc([C@H](C[NH2+][C@@H](c2ccccn2)C2CCCC2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)[C@H](C[NH2+][C@@H](c1ccccn1)C1CCCC1)[*:1]
c1ccc([C@H](C[NH2+][C@@H](c2ccccn2)C2CCCC2)N2CCOCC2)cc1 C1CCC(C1)[*:1] c1ccc(cc1)[C@H](C[NH2+][C@@H](c1ccccn1)[*:1])N1CCOCC1
c1ccc([C@H](C[NH2+][C@@H](c2ccccn2)C2CCCC2)N2CCOCC2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)[C@H](C[NH2+][C@@H](C1CCCC1)[*:1])N1CCOCC1
O=C(NCc1ccccc1)c1csc(-n2cccc2)n1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1csc(n1)-n1cccc1
O=C(NCc1ccccc1)c1csc(-n2cccc2)n1 c1ccn(c1)[*:1] O=C(NCc1ccccc1)c1csc(n1)[*:1]
CCCCCCn1cnc2cc(C)c(C)cc21 CCCC[*:1] Cc1cc2ncn(CC[*:1])c2cc1C
CCCCCCn1cnc2cc(C)c(C)cc21 CCC[*:1] Cc1cc2ncn(CCC[*:1])c2cc1C
CCCCCCn1cnc2cc(C)c(C)cc21 CCCCC[*:1] Cc1cc2ncn(C[*:1])c2cc1C
CCN(C(=O)c1ccc(-n2ccnn2)cc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(C(=O)c1ccc(cc1)-n1ccnn1)[*:1]
CCN(C(=O)c1ccc(-n2ccnn2)cc1)c1cccc(F)c1 c1cn(nn1)[*:1] CCN(C(=O)c1ccc(cc1)[*:1])c1cccc(F)c1
CCNC(=O)Cc1csc(NC(=O)c2ccc(OC)c(OC)c2)n1 CCNC(=O)C[*:1] COc1ccc(cc1OC)C(=O)Nc1nc(cs1)[*:1]
CCNC(=O)Cc1csc(NC(=O)c2ccc(OC)c(OC)c2)n1 CCNC(=O)[*:1] COc1ccc(cc1OC)C(=O)Nc1nc(cs1)C[*:1]
COc1ccc(CNC(=O)C(=O)Nc2cccc(C)c2Cl)cc1O Cc1cccc(c1Cl)[*:1] COc1ccc(cc1O)CNC(=O)C(=O)N[*:1]
Cc1nc(-c2ccc(CCNC(=O)C3CCCCC3)s2)cs1 Cc1nc(cs1)[*:1] O=C(NCCc1ccc(s1)[*:1])C1CCCCC1
Cc1nc(-c2ccc(CCNC(=O)C3CCCCC3)s2)cs1 C1CCC(CC1)[*:1] Cc1nc(cs1)-c1ccc(CCNC(=O)[*:1])s1
Cc1nccn1C[C@H](O)COc1ccc(Br)cc1 Cc1nccn1[*:1] O[C@H](COc1ccc(Br)cc1)C[*:1]
COCc1nc(-c2cccc(CN3CCN(C(=O)c4ccc(F)c(OC)c4)CC3)c2)no1 COc1cc(ccc1F)[*:1] COCc1nc(no1)-c1cccc(c1)CN1CCN(CC1)C(=O)[*:1]
COCc1nc(-c2cccc(CN3CCN(C(=O)c4ccc(F)c(OC)c4)CC3)c2)no1 COCc1nc(no1)[*:1] COc1cc(ccc1F)C(=O)N1CCN(CC1)Cc1cccc(c1)[*:1]
COCc1nc(-c2cccc(CN3CCN(C(=O)c4ccc(F)c(OC)c4)CC3)c2)no1 COC[*:1] COc1cc(ccc1F)C(=O)N1CCN(CC1)Cc1cccc(c1)-c1noc(n1)[*:1]
C=CCOc1cccc(C(=O)NCC2CC[NH+](C)CC2)c1 C=CC[*:1] C[NH+]1CCC(CC1)CNC(=O)c1cccc(c1)O[*:1]
C=CCOc1cccc(C(=O)NCC2CC[NH+](C)CC2)c1 C=CCO[*:1] C[NH+]1CCC(CC1)CNC(=O)c1cccc(c1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CCOC[C@H]1C Fc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCOC[C@H]1C
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CCOC[C@H]1C CC(C)[*:1] C[C@@H]1COCCN1C(=O)[C@@H](NC(=O)c1ccccc1F)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CCN=C1SCc1cccc(c1)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])N1CCN=C1SCc1cccc(c1)C(F)(F)F
O=C(c1cccc([N+](=O)[O-])c1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(N1CCN=C1SCc1cccc(c1)C(F)(F)F)[*:1]
COc1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)C(=O)N[C@H](C[*:1])c1ccc(C)cc1
COc1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N[C@H](CN1CCOCC1)[*:1]
COc1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)c1 C1CN(CCO1)C[*:1] COc1cccc(c1)C(=O)N[C@H](c1ccc(C)cc1)[*:1]
COc1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)[C@@H](CN1CCOCC1)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3csc(-c4cccs4)n3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(c1csc(n1)-c1cccs1)N1CCCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3csc(-c4cccs4)n3)CC2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCN(CC1)C(=O)c1csc(n1)[*:1]
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](C)[*:1]
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1 C[C@@H](c1ccccc1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1 COc1ccc(OC)c(c1)[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1
COc1cc(F)cc(CNC(=O)CC2(N3CCOCC3)CCCC2)c1 C1CN(CCO1)[*:1] COc1cc(F)cc(c1)CNC(=O)CC1(CCCC1)[*:1]
Cc1ccc(C)c(NC(=O)[C@H](C)Sc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cc(nc2ccc(cc12)S(=O)(=O)N(C)C)S[C@@H](C)C(=O)N[*:1]
Cc1ccc(C)c(NC(=O)[C@H](C)Sc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)c1 CN(C)S(=O)(=O)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](C)Sc1cc(C)c2cc(ccc2n1)[*:1]
O=C([O-])c1cc(S[C@H]2CCOC3(CCC3)C2)ccn1 O=C([O-])[*:1] c1cc(cc(n1)[*:1])S[C@H]1CCOC2(CCC2)C1
CCCN(C(=O)N[C@@H]1CCOC1)[C@@H]1CC[NH2+]C1 CCC[*:1] O=C(N[C@@H]1CCOC1)N([C@@H]1CC[NH2+]C1)[*:1]
CCCN(C(=O)N[C@@H]1CCOC1)[C@@H]1CC[NH2+]C1 C1C[C@H](CO1)[*:1] CCCN(C(=O)N[*:1])[C@@H]1CC[NH2+]C1
C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)[*:1]
C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)C[*:1] C[C@H](Sc1nnc(-c2cccnc2)n1[*:1])C(=O)N1CCCC1
C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)N1CCCC1 c1cncc(c1)[*:1] C[C@H](Sc1nnc(n1Cc1ccccc1)[*:1])C(=O)N1CCCC1
C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2cccnc2)n1C[*:1])C(=O)N1CCCC1
O=C(Nc1nncs1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 FC(F)(F)[*:1] O=C(Nc1nncs1)c1cccc(c1)-n1ccc(n1)[*:1]
O=C(Nc1nncs1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 c1nnc(s1)[*:1] O=C(N[*:1])c1cccc(c1)-n1ccc(n1)C(F)(F)F
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc12 Clc1ccccc1[*:1] C[C@@H](NC(=O)CCNS(=O)(=O)[*:1])c1cccc2ccccc12
CCOc1ccc2nc(S[C@@H](C)C(=O)OC)[nH]c2c1 COC(=O)[C@H](C)[*:1] CCOc1ccc2nc([nH]c2c1)S[*:1]
CCOc1ccc2nc(S[C@@H](C)C(=O)OC)[nH]c2c1 CCO[*:1] COC(=O)[C@H](C)Sc1nc2ccc(cc2[nH]1)[*:1]
CCOc1ccc2nc(S[C@@H](C)C(=O)OC)[nH]c2c1 COC(=O)[*:1] CCOc1ccc2nc([nH]c2c1)S[C@@H](C)[*:1]
CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1csc(C)n1)CC2 Cc1nc(cs1)[*:1] CCOC(=O)c1nn(Cc2ccccn2)c2CCN(Cc12)C(=O)[*:1]
CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1csc(C)n1)CC2 c1ccc(C[*:1])nc1 CCOC(=O)c1nn(c2CCN(Cc12)C(=O)c1csc(C)n1)[*:1]
CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1csc(C)n1)CC2 c1ccc(nc1)[*:1] CCOC(=O)c1nn(C[*:1])c2CCN(Cc12)C(=O)c1csc(C)n1
CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1csc(C)n1)CC2 CCOC(=O)[*:1] Cc1nc(cs1)C(=O)N1CCc2c(C1)c(nn2Cc1ccccn1)[*:1]
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] C=CCNS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)C[*:1]
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 C=CC[*:1] O=C(c1cccc(c1)S(=O)(=O)N[*:1])N1CCC(CC1)Cc1ccccc1
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 C=CCNS(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)Cc1ccccc1
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] C=CCNS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)[*:1]
CCOC(=O)c1nnnn1CCc1ccsc1 c1cc(cs1)[*:1] CCOC(=O)c1nnnn1CC[*:1]
CCOC(=O)c1nnnn1CCc1ccsc1 CCOC(=O)[*:1] c1cc(cs1)CCn1nnnc1[*:1]
CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 CCc1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)[N+](=O)[O-])[*:1]
CC[NH2+][C@H]([C@@H](C)CC)[C@@H]1CCOC2(CCCCC2)C1 CC[C@H](C)[*:1] CC[NH2+][C@H]([C@@H]1CCOC2(CCCCC2)C1)[*:1]
CCNC(=O)CN(CC)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 CCNC(=O)[*:1] CCN(C[*:1])C(=O)c1ccc(Br)c(c1)[N+](=O)[O-]
CCNC(=O)CN(CC)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCNC(=O)CN(CC)C(=O)c1ccc(Br)c(c1)[*:1]
CCNC(=O)CN(CC)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 CCNC(=O)C[*:1] CCN(C(=O)c1ccc(Br)c(c1)[N+](=O)[O-])[*:1]
CC[C@@H](C#N)NC(=O)c1ccc2cc[nH]c2c1 CC[C@@H](C#N)[*:1] O=C(N[*:1])c1ccc2cc[nH]c2c1
O=C(Cc1csc(-c2cccc(F)c2)n1)NCCOc1cccnc1 c1cncc(c1)[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)NCCO[*:1]
O=C(Cc1csc(-c2cccc(F)c2)n1)NCCOc1cccnc1 c1cncc(c1)OC[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)NC[*:1]
O=C(Cc1csc(-c2cccc(F)c2)n1)NCCOc1cccnc1 c1cncc(c1)O[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)NCC[*:1]
O=C(Cc1csc(-c2cccc(F)c2)n1)NCCOc1cccnc1 Fc1cccc(c1)[*:1] O=C(Cc1csc(n1)[*:1])NCCOc1cccnc1
CCc1c(Cl)ncnc1NCC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] CCc1c(Cl)ncnc1NCC(C)(C)[*:1]
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1ccncc1 c1cc(ccn1)[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CS[*:1]
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1ccncc1 c1cc(ccn1)S[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[*:1]
O=C(c1cc[nH]n1)N1CCC[C@H](CCc2c(F)cccc2F)C1 c1cc(n[nH]1)[*:1] O=C(N1CCC[C@H](CCc2c(F)cccc2F)C1)[*:1]
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NN1CCOCC1 Clc1ccc(cc1)[*:1] O=C(CCCc1nc(no1)[*:1])NN1CCOCC1
Cc1cc(C(=O)NCc2cccc(F)c2)c(C)n1C1CC1 Fc1cccc(c1)[*:1] Cc1cc(C(=O)NC[*:1])c(C)n1C1CC1
Cc1cc(C(=O)NCc2cccc(F)c2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)NCc2cccc(F)c2)c(C)n1[*:1]
CCCNC(=O)Nc1ccccc1C(=O)OC COC(=O)[*:1] CCCNC(=O)Nc1ccccc1[*:1]
CCCNC(=O)Nc1ccccc1C(=O)OC CCC[*:1] COC(=O)c1ccccc1NC(=O)N[*:1]
CC(C)CC[C@@H](C)[NH2+]CC(=O)NC1CC1 CC(C)C[*:1] C[C@H](C[*:1])[NH2+]CC(=O)NC1CC1
CC(C)CC[C@@H](C)[NH2+]CC(=O)NC1CC1 CC(C)[*:1] C[C@H](CC[*:1])[NH2+]CC(=O)NC1CC1
CC(C)CC[C@@H](C)[NH2+]CC(=O)NC1CC1 CC(C)CC[*:1] C[C@@H]([NH2+]CC(=O)NC1CC1)[*:1]
CC(C)CC[C@@H](C)[NH2+]CC(=O)NC1CC1 C1CC1[*:1] CC(C)CC[C@@H](C)[NH2+]CC(=O)N[*:1]
Cc1cccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
CC(=O)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(C)C CC(C)[*:1] CC(=O)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)[*:1]
CC(=O)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(C)C CC(=O)N(C(C)C)[*:1] O=C(C[*:1])N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1
CC(=O)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(C)C CC(=O)N(C[*:1])C(C)C O=C(N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)[*:1]
CC(=O)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(C)C Fc1ccc(cc1)[*:1] CC(=O)N(CC(=O)N1c2ccccc2-n2cccc2[C@H]1[*:1])C(C)C
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC1CCCCC1 NS(=O)(=O)[*:1] O=C(OC1CCCCC1)c1ccc(cc1[*:1])[N+](=O)[O-]
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC1CCCCC1 O=[N+]([O-])[*:1] NS(=O)(=O)c1cc(ccc1C(=O)OC1CCCCC1)[*:1]
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC1CCCCC1 C1CCC(CC1)[*:1] NS(=O)(=O)c1cc(ccc1C(=O)O[*:1])[N+](=O)[O-]
C[C@H]1CN(C(=O)NCC(C)(C)c2ccc(F)cc2)C[C@H](C)O1 Fc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)NCC(C)(C)[*:1]
C[NH+](Cc1cccc(F)c1)Cc1ccco1 c1coc(c1)[*:1] C[NH+](Cc1cccc(F)c1)C[*:1]
COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3cccc(O)c3)C[C@H]21 Oc1cccc(c1)[*:1] COc1cccc2c1OC1(CCN(CC1)C(C)=O)N1N=C(C[C@H]21)[*:1]
CCCNC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 C1C[C@@H](CO1)CO[*:1] CCCNC(=O)NCc1ccc(C)cc1[*:1]
CCCNC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 CCCNC(=O)N[*:1] Cc1ccc(C[*:1])c(c1)OC[C@H]1CCOC1
CCCNC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 CCC[*:1] Cc1ccc(CNC(=O)N[*:1])c(c1)OC[C@H]1CCOC1
c1ccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc2oc(nc2c1)C1CC[NH+](CC1)C[*:1]
c1ccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1 c1ccc(cc1)C[*:1] c1ccc2oc(nc2c1)C1CC[NH+](CC1)[*:1]
COc1ccccc1N1C(=O)C[C@@H](Sc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] COc1ccccc1N1C(=O)C[C@@H](S[*:1])C1=O
CC(=O)Nc1ccc([C@H]2O[C@]2(C(N)=O)C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] CC(=O)Nc1ccc(cc1)[C@H]1O[C@]1(C(N)=O)C(=O)N[*:1]
CC(=O)Nc1ccc([C@H]2O[C@]2(C(N)=O)C(=O)NCc2ccco2)cc1 NC(=O)[*:1] CC(=O)Nc1ccc(cc1)[C@H]1O[C@@]1(C(=O)NCc1ccco1)[*:1]
CC(=O)Nc1ccc([C@H]2O[C@]2(C(N)=O)C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] CC(=O)Nc1ccc(cc1)[C@H]1O[C@]1(C(N)=O)C(=O)NC[*:1]
CC(=O)Nc1ccc([C@H]2O[C@]2(C(N)=O)C(=O)NCc2ccco2)cc1 CC(=O)N[*:1] NC(=O)[C@@]1(O[C@@H]1c1ccc(cc1)[*:1])C(=O)NCc1ccco1
C[C@H]1CN(CCCCNC(=O)c2nc(C3CC3)n3ccccc23)C[C@@H](C)O1 C1CC1[*:1] C[C@H]1CN(CCCCNC(=O)c2nc(n3ccccc23)[*:1])C[C@@H](C)O1
CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 CCNS(=O)(=O)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)OC(=O)c1cccc(c1)[*:1]
O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[*:1]
O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(Cl)cn1 c1ccc(cc1)C[*:1] O=C(C[NH+](Cc1ccccc1)[*:1])Nc1ccc(Cl)cn1
O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(Cl)cn1 c1ccc(cc1)[*:1] O=C(C[NH+](Cc1ccccc1)C[*:1])Nc1ccc(Cl)cn1
CCc1ccc(S(=O)(=O)[N-]c2cccc(CN(C)C(C)=O)c2)s1 CC(=O)N(C)C[*:1] CCc1ccc(s1)S(=O)(=O)[N-]c1cccc(c1)[*:1]
CCc1ccc(S(=O)(=O)[N-]c2cccc(CN(C)C(C)=O)c2)s1 CCc1ccc(s1)[*:1] CC(=O)N(C)Cc1cccc(c1)[N-]S(=O)(=O)[*:1]
CCc1ccc(S(=O)(=O)[N-]c2cccc(CN(C)C(C)=O)c2)s1 CC(=O)N(C)[*:1] CCc1ccc(s1)S(=O)(=O)[N-]c1cccc(c1)C[*:1]
Cc1c(Cl)cccc1-n1c(SCCNS(C)(=O)=O)nc2ccccc2c1=O Cc1c(Cl)cccc1[*:1] CS(=O)(=O)NCCSc1nc2ccccc2c(=O)n1[*:1]
Cc1c(Cl)cccc1-n1c(SCCNS(C)(=O)=O)nc2ccccc2c1=O CS(=O)(=O)N[*:1] Cc1c(Cl)cccc1-n1c(nc2ccccc2c1=O)SCC[*:1]
Cc1c(Cl)cccc1-n1c(SCCNS(C)(=O)=O)nc2ccccc2c1=O CS(=O)(=O)NC[*:1] Cc1c(Cl)cccc1-n1c(nc2ccccc2c1=O)SC[*:1]
Cc1c(Cl)cccc1-n1c(SCCNS(C)(=O)=O)nc2ccccc2c1=O CS(=O)(=O)NCC[*:1] Cc1c(Cl)cccc1-n1c(nc2ccccc2c1=O)S[*:1]
Cc1c(Cl)cccc1-n1c(SCCNS(C)(=O)=O)nc2ccccc2c1=O CS(=O)(=O)NCCS[*:1] Cc1c(Cl)cccc1-n1c(nc2ccccc2c1=O)[*:1]
C[C@@H](NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)[C@@H](C1CCCC1)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1])c1ccccc1
C[C@@H](NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 C1CCC(C1)[*:1] C[C@@H](NC(=O)[C@@H](N1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-])[*:1])c1ccccc1
C[C@@H](NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H](C1CCCC1)N1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@@H](NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 C[C@@H](NC(=O)[*:1])c1ccccc1 O=C(c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)[C@H](C1CCCC1)[*:1]
C[C@@H](NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H](C1CCCC1)N1CCN(CC1)C(=O)[*:1])c1ccccc1
C[C@@H](NC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(N[*:1])[C@@H](C1CCCC1)N1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
CC[C@](C)(NC(=O)CNC(=O)c1cccc(Cl)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)CNC(=O)c1cccc(Cl)c1)[*:1]
CC[C@](C)(NC(=O)CNC(=O)c1cccc(Cl)c1)C(=O)[O-] Clc1cccc(c1)[*:1] CC[C@](C)(NC(=O)CNC(=O)[*:1])C(=O)[O-]
CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O CCOC(=O)C[*:1] O=C1S/C(=C\c2ccc(o2)-c2ccc(Br)cc2)C(=O)N1[*:1]
CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O Brc1ccc(cc1)[*:1] CCOC(=O)CN1C(=O)S/C(=C\c2ccc(o2)[*:1])C1=O
CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O CCOC(=O)[*:1] O=C1S/C(=C\c2ccc(o2)-c2ccc(Br)cc2)C(=O)N1C[*:1]
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1ccccc1)C2 c1ccc(cc1)[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)NC(=O)[*:1]
O=C1CCC[C@@H]1CC[S@@](=O)c1cc(Cl)ccc1Cl O=C1CCC[C@H]1[*:1] O=[S@](CC[*:1])c1cc(Cl)ccc1Cl
CC(C)NC(=O)CN(C)c1nc(C(F)(F)F)ccc1C[NH3+] CC(C)NC(=O)C[*:1] CN(c1nc(ccc1C[NH3+])C(F)(F)F)[*:1]
CC(C)NC(=O)CN(C)c1nc(C(F)(F)F)ccc1C[NH3+] CC(C)NC(=O)[*:1] CN(C[*:1])c1nc(ccc1C[NH3+])C(F)(F)F
CC(C)NC(=O)CN(C)c1nc(C(F)(F)F)ccc1C[NH3+] CC(C)[*:1] CN(CC(=O)N[*:1])c1nc(ccc1C[NH3+])C(F)(F)F
CC(C)NC(=O)CN(C)c1nc(C(F)(F)F)ccc1C[NH3+] FC(F)(F)[*:1] CC(C)NC(=O)CN(C)c1nc(ccc1C[NH3+])[*:1]
Cc1ccc(OCC(=O)N[C@H](C)C(C)C)c(C[C@@H](C)[NH3+])n1 CC(C)[C@@H](C)[*:1] Cc1ccc(OCC(=O)N[*:1])c(C[C@@H](C)[NH3+])n1
Cc1ccc(OCC(=O)N[C@H](C)C(C)C)c(C[C@@H](C)[NH3+])n1 CC(C)[*:1] Cc1ccc(OCC(=O)N[C@H](C)[*:1])c(C[C@@H](C)[NH3+])n1
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnn2c1OCCC2 FC(F)(F)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1cnn2CCCOc12
Cc1nc(C)c(CC(=O)OCc2cccc(OC(F)(F)F)c2)c(=O)[nH]1 FC(F)(F)[*:1] Cc1nc(C)c(CC(=O)OCc2cccc(c2)O[*:1])c(=O)[nH]1
Cc1nc(C)c(CC(=O)OCc2cccc(OC(F)(F)F)c2)c(=O)[nH]1 FC(F)(F)O[*:1] Cc1nc(C)c(CC(=O)OCc2cccc(c2)[*:1])c(=O)[nH]1
COc1ccccc1[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1nccn1C COc1ccccc1[*:1] Cn1ccnc1[C@H](NC(=O)c1ccc(cc1)Sc1ccccn1)[*:1]
COc1ccccc1[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@@H](NC(=O)c1ccc(cc1)Sc1ccccn1)[*:1]
COc1ccccc1[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1nccn1C c1ccc(nc1)S[*:1] COc1ccccc1[C@@H](NC(=O)c1ccc(cc1)[*:1])c1nccn1C
COc1ccccc1[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1nccn1C c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)c1ccc(cc1)S[*:1])c1nccn1C
Cn1ncnc1CCNC(=O)N1CCC[C@H]1Cc1ccccc1 Cn1ncnc1C[*:1] O=C(NC[*:1])N1CCC[C@H]1Cc1ccccc1
Cn1ncnc1CCNC(=O)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] Cn1ncnc1CCNC(=O)N1CCC[C@H]1C[*:1]
Cn1ncnc1CCNC(=O)N1CCC[C@H]1Cc1ccccc1 Cn1ncnc1[*:1] O=C(NCC[*:1])N1CCC[C@H]1Cc1ccccc1
Cn1ncnc1CCNC(=O)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1ncnc1CCNC(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(F)c(-c2ncccc2C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(F)c(c1)-c1ncccc1[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)cc1Cl Fc1ccccc1[*:1] Cc1ccc(cc1Cl)N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(Nc1ccccc1F)[C@H]1CC(=O)N(C1)[*:1]
C#CCN(CC#C)C(=O)c1cncc(C(=O)N(CC#C)CC#C)c1 C#CC[*:1] C#CCN(CC#C)C(=O)c1cncc(c1)C(=O)N(CC#C)[*:1]
CCc1ncc(C[NH2+][C@@H](CCO)C2CC2)s1 C1CC1[*:1] CCc1ncc(C[NH2+][C@@H](CCO)[*:1])s1
CCc1ncc(C[NH2+][C@@H](CCO)C2CC2)s1 OCC[*:1] CCc1ncc(C[NH2+][C@@H](C2CC2)[*:1])s1
C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cn(C)nc1[*:1]
COCCn1c(SCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)nc2ccccc2c1=O COC[*:1] C[C@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3c(=O)n2C[*:1])[C@@H]1C
COCCn1c(SCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)nc2ccccc2c1=O COCC[*:1] C[C@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3c(=O)n2[*:1])[C@@H]1C
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)CC[*:1] Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(Cc1ccccc1)[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(CCc1ccccc1)[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(Cc1ccccc1)C[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(CC[*:1])Cc1ccccc1
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(CCc1ccccc1)C[*:1]
C[C@@H]1CCc2ccccc2N1Cc1nc(C2CC2)no1 C1CC1[*:1] C[C@@H]1CCc2ccccc2N1Cc1nc(no1)[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)[C@H]1C(C(=O)c2ccc3OCCOc3c2)=C([O-])C(=O)N1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)cc1 c1cc2OCCOc2cc1[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(C)cc1
COCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2ccc3OCCOc3c2)[C@H]1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)[C@H]1C(C(=O)c2ccc3OCCOc3c2)=C([O-])C(=O)N1C[*:1]
Nc1ccc(SCCC(=O)Nc2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] Nc1ccc(SCCC(=O)N[*:1])c(Cl)c1
COc1ccccc1C1CCN(S(=O)(=O)c2ccccc2Br)CC1 Brc1ccccc1[*:1] COc1ccccc1C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccccc1C1CCN(S(=O)(=O)c2ccccc2Br)CC1 COc1ccccc1[*:1] O=S(=O)(c1ccccc1Br)N1CCC(CC1)[*:1]
Cc1cc(C[C@@H](C)N[C@@H](c2cccnc2)C(C)C)n[nH]1 Cc1cc(n[nH]1)[*:1] CC(C)[C@@H](N[C@H](C)C[*:1])c1cccnc1
Cc1cc(C[C@@H](C)N[C@@H](c2cccnc2)C(C)C)n[nH]1 CC(C)[*:1] Cc1cc(C[C@@H](C)N[C@@H](c2cccnc2)[*:1])n[nH]1
Cc1cc(C[C@@H](C)N[C@@H](c2cccnc2)C(C)C)n[nH]1 c1cncc(c1)[*:1] Cc1cc(C[C@@H](C)N[C@@H](C(C)C)[*:1])n[nH]1
CCN(Cc1ccccn1)C(=O)NCc1ncc(C)c(OC)c1C c1ccc(C[*:1])nc1 CCN(C(=O)NCc1ncc(C)c(OC)c1C)[*:1]
CCN(Cc1ccccn1)C(=O)NCc1ncc(C)c(OC)c1C c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)NCc1ncc(C)c(OC)c1C
CCSc1nc2n(n1)[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C(N)=O)=C(C)N2 Clc1ccc(cc1)CO[*:1] CCSc1nc2NC(C)=C(C(N)=O)[C@@H](c3ccc(cc3)[*:1])n2n1
CCSc1nc2n(n1)[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C(N)=O)=C(C)N2 Clc1ccc(cc1)C[*:1] CCSc1nc2NC(C)=C(C(N)=O)[C@@H](c3ccc(cc3)O[*:1])n2n1
CCSc1nc2n(n1)[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C(N)=O)=C(C)N2 Clc1ccc(cc1)[*:1] CCSc1nc2NC(C)=C(C(N)=O)[C@@H](c3ccc(cc3)OC[*:1])n2n1
CCSc1nc2n(n1)[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C(N)=O)=C(C)N2 NC(=O)[*:1] CCSc1nc2NC(C)=C([C@@H](c3ccc(cc3)OCc3ccc(Cl)cc3)n2n1)[*:1]
CCSc1nc2n(n1)[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C(N)=O)=C(C)N2 CCS[*:1] CC1Nc2nc(nn2[C@@H](C=1C(N)=O)c1ccc(cc1)OCc1ccc(Cl)cc1)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1cccc2ncccc12 CC(C)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)c1cccc2ncccc12
COC(=O)[C@@H](CC(C)C)NC(=O)c1cccc2ncccc12 COC(=O)[*:1] CC(C)C[C@@H](NC(=O)c1cccc2ncccc12)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1cccc2ncccc12 CC(C)C[*:1] COC(=O)[C@@H](NC(=O)c1cccc2ncccc12)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(cc1)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ccnn2)cc1 CCS[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])c1ccc(cc1)-n1ccnn1
C[C@H](NC(=O)c1ccoc1)C(=O)OCc1ccccc1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)OCc1ccccc1
C[C@H](NC(=O)c1ccoc1)C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)OC[*:1]
COc1cc(C)c([C@H](C)NC(=O)c2ccc(-c3cnco3)cc2)cc1OC c1ncc(o1)[*:1] COc1cc(C)c(cc1OC)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
CC(C)CCOCCS(=O)(=O)c1nccn1C CC(C)C[*:1] Cn1ccnc1S(=O)(=O)CCOC[*:1]
CC(C)CCOCCS(=O)(=O)c1nccn1C CC(C)[*:1] Cn1ccnc1S(=O)(=O)CCOCC[*:1]
CC(C)CCOCCS(=O)(=O)c1nccn1C CC(C)CC[*:1] Cn1ccnc1S(=O)(=O)CCO[*:1]
CCOc1ccc(NC(=O)C(=O)NCC#N)cn1 N#CC[*:1] CCOc1ccc(cn1)NC(=O)C(=O)N[*:1]
CCOc1ccc(NC(=O)C(=O)NCC#N)cn1 CCO[*:1] N#CCNC(=O)C(=O)Nc1ccc(nc1)[*:1]
Cc1nc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nc(C)c1CC(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[*:1])N1CCN(CC1)C(=O)C(=O)N1CCCC1
Cc1nc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nc(C)c1CC(C)C CC(C)C[*:1] Cc1nc(nc(C)c1[*:1])N1CCN(CC1)C(=O)C(=O)N1CCCC1
CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C1 c1ccc(cc1)C[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[NH2+]Cc1cnn(c1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C1 CS(=O)(=O)[*:1] c1ccc(cc1)Cn1cc(cn1)C[NH2+][C@H]1CCC[C@@H](C1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C1 c1ccc(cc1)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[NH2+]Cc1cnn(c1)C[*:1]
Cc1sc(NC(=O)CSc2nnnn2-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(nc1-c1ccccc1)NC(=O)CSc1nnnn1[*:1]
Cc1sc(NC(=O)CSc2nnnn2-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)CSc1nnnn1-c1ccccc1
CN(C)c1ncnc2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c12 CN(C)[*:1] OC[C@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1cnc2ncnc(c21)[*:1]
Cc1nc(C(C)(C)c2ccccc2)sc1-c1nc([C@H]2CCOC2)no1 c1ccc(cc1)[*:1] Cc1nc(sc1-c1nc(no1)[C@H]1CCOC1)C(C)(C)[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)NCCc2ccc3c(c2)OCO3)n1 Cc1cc(C)n(n1)[*:1] O=C(NCCc1ccc2OCOc2c1)Nc1ccccc1[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)NCCc2ccc3c(c2)OCO3)n1 c1cc2OCOc2cc1[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)NCC[*:1]
Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C Cc1cccc(c1C)[*:1] O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)[*:1]
Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C O=S(=O)(N1CCOCC1)[*:1] Cc1cccc(C(=O)Nc2cc(ccc2N2CCCC2)[*:1])c1C
Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C C1CCN(C1)[*:1] Cc1cccc(C(=O)Nc2cc(ccc2[*:1])S(=O)(=O)N2CCOCC2)c1C
C[C@@H](CC1CCCCC1)C(=O)N1CCCC[C@@H]1CC(N)=O NC(=O)C[*:1] C[C@@H](CC1CCCCC1)C(=O)N1CCCC[C@H]1[*:1]
C[C@@H](CC1CCCCC1)C(=O)N1CCCC[C@@H]1CC(N)=O C1CCC(CC1)C[*:1] C[C@@H](C(=O)N1CCCC[C@@H]1CC(N)=O)[*:1]
C[C@@H](CC1CCCCC1)C(=O)N1CCCC[C@@H]1CC(N)=O C1CCC(CC1)[*:1] C[C@@H](C[*:1])C(=O)N1CCCC[C@@H]1CC(N)=O
C[C@@H](CC1CCCCC1)C(=O)N1CCCC[C@@H]1CC(N)=O NC(=O)[*:1] C[C@@H](CC1CCCCC1)C(=O)N1CCCC[C@@H]1C[*:1]
O=C(N[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(N[C@H](Nc1cccc(c1)C(F)(F)F)C(=O)[*:1])c1cccs1
O=C(N[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(c1ccccc1)[C@@H](Nc1cccc(c1)C(F)(F)F)[*:1]
O=C(N[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1)c1cccs1 O=C(c1ccccc1)[*:1] O=C(N[C@H](Nc1cccc(c1)C(F)(F)F)[*:1])c1cccs1
O=C(N[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(c1ccccc1)[C@H](NC(=O)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(N[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1)c1cccs1 FC(F)(F)[*:1] O=C(N[C@H](Nc1cccc(c1)[*:1])C(=O)c1ccccc1)c1cccs1
CCc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CC[NH+](C)CC4)n3)CC2)cc1 CCc1ccc(cc1)[*:1] Cc1cc(nc(n1)N1CCN(CC1)S(=O)(=O)[*:1])N1CC[NH+](C)CC1
O=C(NCc1cscn1)OCCO OCC[*:1] O=C(NCc1cscn1)O[*:1]
CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2ccc(C)cc2)c1=O Cc1cc(C)n(n1)[*:1] CCc1c(C)nc(n(CC(=O)Nc2ccc(C)cc2)c1=O)[*:1]
CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2ccc(C)cc2)c1=O Cc1ccc(cc1)[*:1] CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)N[*:1])c1=O
Cc1ccccc1COC1CCN(C(=O)C[C@H]2CSCCS2)CC1 Cc1ccccc1[*:1] O=C(C[C@H]1CSCCS1)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)C[C@H]2CSCCS2)CC1 Cc1ccccc1C[*:1] O=C(C[C@H]1CSCCS1)N1CCC(CC1)O[*:1]
CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)COc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)CO[*:1]
CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)COc1ccccc1 c1ccc(cc1)OC[*:1] CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[*:1]
CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)COc1ccccc1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)[C@@H]1C[C@H](O)CN1C(=O)COc1ccccc1
CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)COc1ccccc1 Cn1cc(cn1)C[*:1] CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)COc1ccccc1)[*:1]
CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)COc1ccccc1 c1ccc(cc1)O[*:1] CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)C[*:1]
O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1[*:1])c1ccc(c(c1)[N+](=O)[O-])-n1ccnc1
O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 c1cn(cn1)[*:1] O=C(Nc1ccccc1Cc1ccccc1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1Cc1ccccc1)c1ccc(c(c1)[*:1])-n1ccnc1
O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C[*:1])c1ccc(c(c1)[N+](=O)[O-])-n1ccnc1
CCCCCC(C)(C)CNC1=[NH+]CCCC1 CCCC[*:1] CC(C)(CNC1CCCC[NH+]=1)C[*:1]
CCCCCC(C)(C)CNC1=[NH+]CCCC1 CCCCC[*:1] CC(C)(CNC1CCCC[NH+]=1)[*:1]
CCCCCC(C)(C)CNC1=[NH+]CCCC1 CCC[*:1] CC(C)(CC[*:1])CNC1CCCC[NH+]=1
Cn1ccnc1[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1F Fc1cc(F)cc(c1)[*:1] Cn1ccnc1[C@H](NC(=O)[*:1])c1ccccc1F
Cn1ccnc1[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1F Fc1ccccc1[*:1] Cn1ccnc1[C@H](NC(=O)c1cc(F)cc(F)c1)[*:1]
Cn1ccnc1[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1F Cn1ccnc1[*:1] O=C(N[C@H](c1ccccc1F)[*:1])c1cc(F)cc(F)c1
CSc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2)cc1 c1cn(cn1)C[*:1] CSc1ccc(Cl)cc1NC(=O)c1ccc(cc1)[*:1]
CSc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2)cc1 c1cn(cn1)[*:1] CSc1ccc(Cl)cc1NC(=O)c1ccc(cc1)C[*:1]
CNC(=O)[C@H](C)CN(C)c1ccc2cc(C#N)ccc2n1 CNC(=O)[C@H](C)[*:1] CN(C[*:1])c1ccc2cc(C#N)ccc2n1
CNC(=O)[C@H](C)CN(C)c1ccc2cc(C#N)ccc2n1 CNC(=O)[*:1] C[C@H](CN(C)c1ccc2cc(C#N)ccc2n1)[*:1]
COC(=O)C1=C(C)C(C(=O)COc2c(Cl)cc(C#N)cc2OC)=N[C@@H]1C COC(=O)[*:1] COc1cc(C#N)cc(Cl)c1OCC(=O)C1=N[C@H](C)C(=C1C)[*:1]
C1CC[NH2+][C@](C2CC2)([C@@H]2CCOC3(CCCC3)C2)CC1 C1CC1[*:1] C1CC[NH2+][C@@](CC1)([C@@H]1CCOC2(CCCC2)C1)[*:1]
CC(=O)N1C[C@H](C)CN(CC(=O)c2c[nH]c3ccccc23)c2ccccc21 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N1C[C@H](C)CN(CC(=O)[*:1])c2ccccc21
CCCN(C)C(=O)NCCc1csc(-c2ccccc2)n1 CCC[*:1] CN(C(=O)NCCc1csc(n1)-c1ccccc1)[*:1]
CCCN(C)C(=O)NCCc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCCN(C)C(=O)NCCc1csc(n1)[*:1]
O=C([O-])C(F)(F)[C@H]1CCCc2cccnc21 O=C([O-])[*:1] FC(F)([C@H]1CCCc2cccnc21)[*:1]
CC(C)CCNC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CC(C)CCNC(=O)[C@@H](C)N1CCN(CC1)[C@@H](C)[*:1]
CC(C)CCNC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 CC(C)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)[C@H](C)C(=O)NCC[*:1]
CC(C)CCNC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 CC(C)C[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)[C@H](C)C(=O)NC[*:1]
CC(C)CCNC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 CC(C)CC[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
CC(C)CCNC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 CC(C)CCNC(=O)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)[C@H](C)[*:1]
CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)[nH]1 c1csc(c1)[*:1] CCNC(=O)NC(=O)[C@@H](C)Sc1nnc([nH]1)[*:1]
CCO[C@H](C)c1nc(-c2cccnc2)cs1 CCO[*:1] C[C@H](c1nc(cs1)-c1cccnc1)[*:1]
CCO[C@H](C)c1nc(-c2cccnc2)cs1 CCO[C@H](C)[*:1] c1cncc(c1)-c1csc(n1)[*:1]
COc1ccc(CSc2nnc(N/N=C/c3cccc(Br)c3)n2N)cc1 COc1ccc(cc1)[*:1] Nn1c(nnc1SC[*:1])N/N=C/c1cccc(Br)c1
COc1ccc(CSc2nnc(N/N=C/c3cccc(Br)c3)n2N)cc1 Brc1cccc(c1)[*:1] COc1ccc(cc1)CSc1nnc(NN=C[*:1])n1N
Cc1cc(O)ccc1NC(=O)CCCn1ccc2cc(Cl)ccc21 Cc1cc(O)ccc1[*:1] O=C(CCCn1ccc2cc(Cl)ccc21)N[*:1]
Cc1cc2ncn([C@@H](C)[C@@H](C)C[NH2+]C(C)C)c2cc1C CC(C)[*:1] Cc1cc2ncn(c2cc1C)[C@@H](C)[C@@H](C)C[NH2+][*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(cc1)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(N2CCOC2=O)cc1 CC(C)[*:1] C[C@@H]1CC[C@@H]([C@@H](C1)NC(=O)c1ccc(cc1)N1CCOC1=O)[*:1]
CC[C@@H](Sc1nc2ccsc2c(=O)n1Cc1ccccn1)C(=O)Nc1ccc(C)c(Cl)c1 c1ccc(C[*:1])nc1 CC[C@@H](Sc1nc2ccsc2c(=O)n1[*:1])C(=O)Nc1ccc(C)c(Cl)c1
CC[C@@H](Sc1nc2ccsc2c(=O)n1Cc1ccccn1)C(=O)Nc1ccc(C)c(Cl)c1 c1ccc(nc1)[*:1] CC[C@@H](Sc1nc2ccsc2c(=O)n1C[*:1])C(=O)Nc1ccc(C)c(Cl)c1
CC[C@@H](Sc1nc2ccsc2c(=O)n1Cc1ccccn1)C(=O)Nc1ccc(C)c(Cl)c1 Cc1ccc(cc1Cl)[*:1] CC[C@@H](Sc1nc2ccsc2c(=O)n1Cc1ccccn1)C(=O)N[*:1]
COc1ccc(/C(C)=C/C(=O)NCCc2ccc[nH]2)cc1 c1c[nH]c(c1)[*:1] COc1ccc(cc1)/C(C)=C/C(=O)NCC[*:1]
COc1ccc(/C(C)=C/C(=O)NCCc2ccc[nH]2)cc1 c1c[nH]c(c1)C[*:1] COc1ccc(cc1)/C(C)=C/C(=O)NC[*:1]
COc1ccc(/C(C)=C/C(=O)NCCc2ccc[nH]2)cc1 c1c[nH]c(c1)CC[*:1] COc1ccc(cc1)/C(C)=C/C(=O)N[*:1]
Cc1cc(C)c(C(=O)N2CC(c3cccnc3)C2)c(=O)[nH]1 c1cncc(c1)[*:1] Cc1cc(C)c(C(=O)N2CC(C2)[*:1])c(=O)[nH]1
CC(C)[NH2+][C@]1(C[NH3+])CCCS[C@@H]1C CC(C)[NH2+][*:1] C[C@H]1SCCC[C@]1(C[NH3+])[*:1]
CC(C)[NH2+][C@]1(C[NH3+])CCCS[C@@H]1C CC(C)[*:1] C[C@H]1SCCC[C@@]1(C[NH3+])[NH2+][*:1]
CC(C)Cn1ccnc(NC[C@](C)(O)c2cccs2)c1=O CC(C)[*:1] C[C@](O)(CNc1nccn(C[*:1])c1=O)c1cccs1
CC(C)Cn1ccnc(NC[C@](C)(O)c2cccs2)c1=O c1csc(c1)[*:1] CC(C)Cn1ccnc(NC[C@](C)(O)[*:1])c1=O
CC(C)Cn1ccnc(NC[C@](C)(O)c2cccs2)c1=O CC(C)C[*:1] C[C@](O)(CNc1nccn(c1=O)[*:1])c1cccs1
Nc1c(NCc2ccccc2)ncnc1N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)C[*:1] Nc1c(ncnc1N(Cc1ccccc1)c1ccccn1)N[*:1]
Nc1c(NCc2ccccc2)ncnc1N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)C[*:1] Nc1c(ncnc1N(c1ccccn1)[*:1])NCc1ccccc1
Nc1c(NCc2ccccc2)ncnc1N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] Nc1c(ncnc1N(Cc1ccccc1)c1ccccn1)NC[*:1]
Nc1c(NCc2ccccc2)ncnc1N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)CN[*:1] Nc1c(ncnc1[*:1])N(Cc1ccccc1)c1ccccn1
Nc1c(NCc2ccccc2)ncnc1N(Cc1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] Nc1c(ncnc1N(Cc1ccccc1)[*:1])NCc1ccccc1
Nc1c(NCc2ccccc2)ncnc1N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] Nc1c(ncnc1N(C[*:1])c1ccccn1)NCc1ccccc1
N#Cc1nccnc1NC[C@@H](O)COc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1nccnc1NC[C@@H](O)COc1cccc(c1)[*:1]
N#Cc1nccnc1NC[C@@H](O)COc1cccc(C(F)(F)F)c1 N#Cc1nccnc1[*:1] O[C@H](CN[*:1])COc1cccc(c1)C(F)(F)F
CCN1CC(=O)Nc2cc(C(=O)N[C@@](C)(CC)c3nc(C)cs3)ccc21 Cc1csc(n1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[C@@](C)(CC)[*:1]
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1C c1ccc(cc1)[*:1] CCOC(=O)[C@@H](C[*:1])NC(=O)c1ccccc1C
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1C CCOC(=O)[*:1] Cc1ccccc1C(=O)N[C@H](Cc1ccccc1)[*:1]
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1C Cc1ccccc1[*:1] CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[*:1]
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1C c1ccc(cc1)C[*:1] CCOC(=O)[C@@H](NC(=O)c1ccccc1C)[*:1]
CC(C)[C@H](C)CNC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 CC(C)[*:1] C[C@H](CNC(=O)N1CC(C1)n1cc(nn1)C(=O)[O-])[*:1]
CC(C)[C@H](C)CNC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 O=C([O-])[*:1] CC(C)[C@H](C)CNC(=O)N1CC(C1)n1cc(nn1)[*:1]
CC(C)[C@H](C)CNC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 CC(C)[C@H](C)[*:1] O=C([O-])c1cn(nn1)C1CN(C1)C(=O)NC[*:1]
CC(C)[C@H](C)CNC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 CC(C)[C@H](C)C[*:1] O=C([O-])c1cn(nn1)C1CN(C1)C(=O)N[*:1]
CCN1CC(=O)N(CCCC(=O)c2cccs2)CC1=O c1csc(c1)[*:1] CCN1CC(=O)N(CCCC(=O)[*:1])CC1=O
C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-] O=C([O-])CC[*:1] C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)[*:1]
C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-] O=C([O-])CCC(=O)O[*:1] C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)C[*:1]
C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-] O=C([O-])CCC(=O)OC[*:1] C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)[*:1]
C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-] O=C([O-])C[*:1] C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)C[*:1]
C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-] O=C([O-])[*:1] C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CC[*:1]
C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-] O=C([O-])CCC(=O)OCC(=O)[*:1] C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)[*:1]
COC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(Cl)s2)o1 COC(=O)[*:1] C[C@H](OC(=O)c1ccc(o1)[*:1])c1ccc(Cl)s1
COC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(Cl)s2)o1 Clc1ccc(s1)[*:1] COC(=O)c1ccc(o1)C(=O)O[C@@H](C)[*:1]
C/[NH+]=C(/NCc1ncc(C(C)(C)C)o1)N[C@H]1C[C@](C)(OC)C1(C)C CC(C)(C)[*:1] C/[NH+]=C(/NCc1ncc(o1)[*:1])N[C@H]1C[C@](C)(OC)C1(C)C
CCN(C(=O)Nc1ccccc1N1CCCC1)C1CCCCC1 C1CCN(C1)[*:1] CCN(C(=O)Nc1ccccc1[*:1])C1CCCCC1
CCN(C(=O)Nc1ccccc1N1CCCC1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)Nc1ccccc1N1CCCC1)[*:1]
CCCN(CC)S(=O)(=O)c1ccc(N)cc1Cl CCC[*:1] CCN(S(=O)(=O)c1ccc(N)cc1Cl)[*:1]
CSc1nccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)CCC(=O)N(C)C)O3)n1 CN(C)C(=O)CC[*:1] CSc1nccc(n1)-c1cc(Cl)c2O[C@@H](CNC(=O)[*:1])Cc2c1
CSc1nccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)CCC(=O)N(C)C)O3)n1 CSc1nccc(n1)[*:1] CN(C)C(=O)CCC(=O)NC[C@H]1Cc2cc(cc(Cl)c2O1)[*:1]
CSc1nccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)CCC(=O)N(C)C)O3)n1 CN(C)C(=O)C[*:1] CSc1nccc(n1)-c1cc(Cl)c2O[C@@H](CNC(=O)C[*:1])Cc2c1
CSc1nccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)CCC(=O)N(C)C)O3)n1 CN(C)C(=O)[*:1] CSc1nccc(n1)-c1cc(Cl)c2O[C@@H](CNC(=O)CC[*:1])Cc2c1
COc1ccccc1CC(=O)Nc1nnc(-c2ccncc2)s1 c1cc(ccn1)[*:1] COc1ccccc1CC(=O)Nc1nnc(s1)[*:1]
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1cn(C[*:1])c2ccccc12)c1ccc(cc1)[N+](=O)[O-]
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)[*:1]
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] O=C(N/N=C/c1cn(c2ccccc12)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(cc1)[*:1]
CC[C@@H](COC)NC(=O)c1cc(C(F)(F)F)ccc1NC CC[C@@H](COC)[*:1] CNc1ccc(cc1C(=O)N[*:1])C(F)(F)F
CC[C@@H](COC)NC(=O)c1cc(C(F)(F)F)ccc1NC COC[*:1] CC[C@@H](NC(=O)c1cc(ccc1NC)C(F)(F)F)[*:1]
CC[C@@H](COC)NC(=O)c1cc(C(F)(F)F)ccc1NC FC(F)(F)[*:1] CC[C@@H](COC)NC(=O)c1cc(ccc1NC)[*:1]
CCc1nc(C)sc1CN1C[C@H](C(C)C)[C@@H]([NH3+])C1 CC(C)[*:1] CCc1nc(C)sc1CN1C[C@H]([C@@H]([NH3+])C1)[*:1]
Cc1ccc(C2=C3C(=O)N=C(CSc4nnnn4C4CC4)N=C3S[C@@H]2C)cc1 C1CC1n1nnnc1[*:1] Cc1ccc(cc1)C1=C2C(=O)N=C(CS[*:1])N=C2S[C@@H]1C
Cc1ccc(C2=C3C(=O)N=C(CSc4nnnn4C4CC4)N=C3S[C@@H]2C)cc1 C1CC1n1nnnc1S[*:1] Cc1ccc(cc1)C1=C2C(=O)N=C(C[*:1])N=C2S[C@@H]1C
Cc1ccc(C2=C3C(=O)N=C(CSc4nnnn4C4CC4)N=C3S[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1SC2=NC(CSc3nnnn3C3CC3)=NC(=O)C2=C1[*:1]
Cc1ccc(C2=C3C(=O)N=C(CSc4nnnn4C4CC4)N=C3S[C@@H]2C)cc1 C1CC1[*:1] Cc1ccc(cc1)C1=C2C(=O)N=C(CSc3nnnn3[*:1])N=C2S[C@@H]1C
C[C@@](O)(CNC(=O)NCc1cccs1)c1ccccc1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)NC[*:1])c1ccccc1
C[C@@](O)(CNC(=O)NCc1cccs1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)NCc1cccs1)[*:1]
C[C@@](O)(CNC(=O)NCc1cccs1)c1ccccc1 c1csc(c1)C[*:1] C[C@@](O)(CNC(=O)N[*:1])c1ccccc1
CC[C@@H](NC(=O)Nc1cc(C)ccc1OC)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)Nc1cc(C)ccc1OC)[*:1]
CC(C)(C)CC(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 CC(C)(C)[*:1] O=C(C[*:1])Nc1cc(nn1-c1nc(cc(=O)[nH]1)-c1ccccc1)-c1ccco1
CC(C)(C)CC(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 c1ccc(cc1)[*:1] CC(C)(C)CC(=O)Nc1cc(nn1-c1nc(cc(=O)[nH]1)[*:1])-c1ccco1
CC(C)(C)CC(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 CC(C)(C)C[*:1] O=C(Nc1cc(nn1-c1nc(cc(=O)[nH]1)-c1ccccc1)-c1ccco1)[*:1]
CC(C)(C)CC(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 CC(C)(C)CC(=O)N[*:1] O=c1cc(nc([nH]1)-n1nc(cc1[*:1])-c1ccco1)-c1ccccc1
CC(C)(C)CC(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 c1coc(c1)[*:1] CC(C)(C)CC(=O)Nc1cc(nn1-c1nc(cc(=O)[nH]1)-c1ccccc1)[*:1]
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 O=[N+]([O-])[*:1] C[C@@H](Sc1ccc(cc1)[*:1])C(=O)Nc1ccc(F)cc1
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 Cc1ccc(cc1)O[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)O[*:1]
C[C@@H]1CCCC[C@@]12NC(=O)N(CCOc1ccc(C#N)cc1)C2=O N#Cc1ccc(cc1)[*:1] C[C@@H]1CCCC[C@@]12NC(=O)N(CCO[*:1])C2=O
COCCCN(C)C(=O)C(=O)Nc1ccc(C)nc1Cl COCCC[*:1] Cc1ccc(NC(=O)C(=O)N(C)[*:1])c(Cl)n1
COCCCN(C)C(=O)C(=O)Nc1ccc(C)nc1Cl COCC[*:1] Cc1ccc(NC(=O)C(=O)N(C)C[*:1])c(Cl)n1
COCCCN(C)C(=O)C(=O)Nc1ccc(C)nc1Cl COC[*:1] Cc1ccc(NC(=O)C(=O)N(C)CC[*:1])c(Cl)n1
CCOc1cc(F)ccc1NC(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] CCOc1cc(F)ccc1NC(=O)NCc1cn(nn1)[*:1]
CCOc1cc(F)ccc1NC(=O)NCc1cn(-c2ccccc2)nn1 CCO[*:1] O=C(NCc1cn(nn1)-c1ccccc1)Nc1ccc(F)cc1[*:1]
Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)COC1CCCCC1 C1CCC(CC1)O[*:1] Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)C[*:1]
Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)COC1CCCCC1 C1CCC(CC1)[*:1] Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)CO[*:1]
C[C@H](Cc1ccccc1F)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@H](Cc1ccccc1F)C(=O)NC[C@@H]1CC(=O)N(C1)[*:1]
C[C@H](Cc1ccccc1F)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 Fc1ccccc1[*:1] C[C@H](C[*:1])C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1
C[C@H](Cc1ccccc1F)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 Fc1ccccc1C[*:1] C[C@H](C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[*:1]
C[C@H](Cc1ccccc1F)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](Cc1ccccc1F)C(=O)NC[C@@H]1CC(=O)N(C1)C[*:1]
CC(C)NC(=O)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 CC(C)[*:1] O=C(NNC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1)C(=O)N[*:1]
CC(C)NC(=O)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)NC(=O)C(=O)NNC(=O)c1cn(nc1[*:1])-c1ccccc1
CC(C)NC(=O)C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)NC(=O)C(=O)NNC(=O)c1cn(nc1-c1ccccc1)[*:1]
CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)CC CC[C@H](C)[*:1] CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccccc1[*:1]
O=S(=O)(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] c1ccc2c(c1)nc(Nc1ccc(cc1)[*:1])c1nnnn12
Cc1nc(CNC(=O)C[C@H](C)CC(C)C)c(C)s1 CC(C)C[C@@H](C)[*:1] Cc1nc(CNC(=O)C[*:1])c(C)s1
Cc1nc(CNC(=O)C[C@H](C)CC(C)C)c(C)s1 CC(C)C[*:1] Cc1nc(CNC(=O)C[C@H](C)[*:1])c(C)s1
Cc1nc(CNC(=O)C[C@H](C)CC(C)C)c(C)s1 CC(C)[*:1] Cc1nc(CNC(=O)C[C@H](C)C[*:1])c(C)s1
CSc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1C[*:1] CSc1ccc(cc1)[C@@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccccc1
CSc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 CSc1ccc(cc1)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](N1Cc1ccc2OCOc2c1)[*:1]
CSc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)[C@@H]1c2c(n[nH]c2C(=O)N1Cc1ccc2OCOc2c1)[*:1]
CSc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] CSc1ccc(cc1)[C@@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1ccccc1
Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)ncc1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(ncc1C(=O)N[*:1])[C@@H]1CCCN(C1)C(=O)CCc1ccccc1
Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)ncc1C(=O)NCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1nc(ncc1C(=O)NCc1ccccc1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)ncc1C(=O)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] Cc1nc(ncc1[*:1])[C@@H]1CCCN(C1)C(=O)CCc1ccccc1
Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)ncc1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(ncc1C(=O)NCc1ccccc1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)ncc1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)NC[*:1])[C@@H]1CCCN(C1)C(=O)CCc1ccccc1
Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)ncc1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)NCc1ccccc1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
CCCN(c1ccc(OCC)cc1)S(=O)(=O)c1cc(Br)cnc1N CCC[*:1] CCOc1ccc(cc1)N(S(=O)(=O)c1cc(Br)cnc1N)[*:1]
CCCN(c1ccc(OCC)cc1)S(=O)(=O)c1cc(Br)cnc1N Nc1ncc(Br)cc1[*:1] CCCN(c1ccc(cc1)OCC)S(=O)(=O)[*:1]
CCCN(c1ccc(OCC)cc1)S(=O)(=O)c1cc(Br)cnc1N CCO[*:1] CCCN(c1ccc(cc1)[*:1])S(=O)(=O)c1cc(Br)cnc1N
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NNC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(c(c1)O[C@H](C)C(=O)NNC(=O)[*:1])C(C)C
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NNC(=O)c2ccccc2)c1 CC(C)[*:1] Cc1ccc(c(c1)O[C@H](C)C(=O)NNC(=O)c1ccccc1)[*:1]
C[C@@H](NC(=O)NCC1(c2ccccc2)CCC1)c1nncn1C c1ccc(cc1)[*:1] C[C@@H](NC(=O)NCC1(CCC1)[*:1])c1nncn1C
C[C@@H](NC(=O)NCC1(c2ccccc2)CCC1)c1nncn1C Cn1cnnc1[*:1] C[C@@H](NC(=O)NCC1(CCC1)c1ccccc1)[*:1]
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@H](C(=O)N1CCN(CC1)Cc1ccccc1)[*:1])c1ccccc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H](Cc1ccccc1)NC(=O)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C([C@@H](Cc1ccccc1)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)C[*:1])c1ccccc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)[*:1])c1ccccc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C(=O)N1CCN(CC1)Cc1ccccc1)c1ccccc1
C[C@H](NC(=O)Cc1ccc(OC(F)F)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)Cc1ccc(cc1)OC(F)F)[*:1]
C[C@H](NC(=O)Cc1ccc(OC(F)F)cc1)c1ccncc1 FC(F)O[*:1] C[C@H](NC(=O)Cc1ccc(cc1)[*:1])c1ccncc1
C[C@H](NC(=O)Cc1ccc(OC(F)F)cc1)c1ccncc1 FC(F)[*:1] C[C@H](NC(=O)Cc1ccc(cc1)O[*:1])c1ccncc1
CCOC(=O)[C@H](C)S(=O)(=O)c1cccc(F)c1 CCOC(=O)[*:1] C[C@H](S(=O)(=O)c1cccc(F)c1)[*:1]
COC(=O)[C@H]1[C@H](c2cccc(F)c2)NC(=S)N(c2ccc3c(c2)OCCO3)[C@@]1(O)C(C)C CC(C)[*:1] COC(=O)[C@H]1[C@@H](NC(=S)N(c2ccc3OCCOc3c2)[C@]1(O)[*:1])c1cccc(F)c1
COC(=O)[C@H]1[C@H](c2cccc(F)c2)NC(=S)N(c2ccc3c(c2)OCCO3)[C@@]1(O)C(C)C c1cc2OCCOc2cc1[*:1] COC(=O)[C@H]1[C@@H](NC(=S)N([C@@]1(O)C(C)C)[*:1])c1cccc(F)c1
COC(=O)[C@H]1[C@H](c2cccc(F)c2)NC(=S)N(c2ccc3c(c2)OCCO3)[C@@]1(O)C(C)C Fc1cccc(c1)[*:1] COC(=O)[C@H]1[C@H](NC(=S)N(c2ccc3OCCOc3c2)[C@@]1(O)C(C)C)[*:1]
COC(=O)[C@H]1[C@H](c2cccc(F)c2)NC(=S)N(c2ccc3c(c2)OCCO3)[C@@]1(O)C(C)C COC(=O)[*:1] CC(C)[C@@]1(O)[C@H]([C@@H](NC(=S)N1c1ccc2OCCOc2c1)c1cccc(F)c1)[*:1]
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(CSc1ccc(cc1)[N+](=O)[O-])N[*:1]
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1 O=[N+]([O-])[*:1] O=C(CSc1ccc(cc1)[*:1])Nc1ccc(I)cc1
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)c1ccco1 CC(C)(C)[*:1] O=C(C[C@@H]1CCCN1C(=O)O[*:1])c1ccco1
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)c1ccco1 c1coc(c1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)[*:1]
Cc1cc(NC(=O)C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[*:1])C(=O)N1CC=C(CC1)c1ccc(Cl)cc1
Cc1cc(NC(=O)C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)n(C)n1 Clc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)N2CC=C(CC2)[*:1])n(C)n1
COC(=O)[C@@H](C)[C@H](C)Nc1ccc(C)cc1C COC(=O)[*:1] Cc1ccc(N[C@@H](C)[C@H](C)[*:1])c(C)c1
CC(C)[C@H](CNC(=O)N(C)Cc1ccncc1)c1ccccc1 c1cc(ccn1)C[*:1] CC(C)[C@H](CNC(=O)N(C)[*:1])c1ccccc1
CC(C)[C@H](CNC(=O)N(C)Cc1ccncc1)c1ccccc1 CC(C)[*:1] CN(Cc1ccncc1)C(=O)NC[C@H](c1ccccc1)[*:1]
CC(C)[C@H](CNC(=O)N(C)Cc1ccncc1)c1ccccc1 c1cc(ccn1)[*:1] CC(C)[C@H](CNC(=O)N(C)C[*:1])c1ccccc1
CC(C)[C@H](CNC(=O)N(C)Cc1ccncc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](CNC(=O)N(C)Cc1ccncc1)[*:1]
Cc1ccc(Cn2c([C@H](C)O)nc3ccccc32)cc1 C[C@H](O)[*:1] Cc1ccc(cc1)Cn1c(nc2ccccc21)[*:1]
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=c1cc(Cc2nnc(S[*:1])n2-c2ccc(F)cc2)[nH]c(=O)[nH]1
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1[*:1])N1CCCC1
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCCC1 O=c1cc([nH]c(=O)[nH]1)[*:1] O=C(CSc1nnc(C[*:1])n1-c1ccc(F)cc1)N1CCCC1
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCCC1 O=C(CS[*:1])N1CCCC1 O=c1cc(Cc2nnc(n2-c2ccc(F)cc2)[*:1])[nH]c(=O)[nH]1
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCCC1 O=C(N1CCCC1)[*:1] O=c1cc(Cc2nnc(SC[*:1])n2-c2ccc(F)cc2)[nH]c(=O)[nH]1
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCCC1 O=c1cc(C[*:1])[nH]c(=O)[nH]1 O=C(CSc1nnc(n1-c1ccc(F)cc1)[*:1])N1CCCC1
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(CN2CCOCC2)cs1 COC(=O)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1[*:1])c1cc(cs1)CN1CCOCC1
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(CN2CCOCC2)cs1 C1CN(CCO1)C[*:1] COC(=O)C1=C(C)NC2CC(C)(C)CC(=O)C=2[C@H]1c1cc(cs1)[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(CN2CCOCC2)cs1 C1CN(CCO1)[*:1] COC(=O)C1=C(C)NC2CC(C)(C)CC(=O)C=2[C@H]1c1cc(cs1)C[*:1]
CC(C)(C)c1nc(C[NH+]2CCN(CCO)CC2)no1 OCC[*:1] CC(C)(C)c1nc(C[NH+]2CCN(CC2)[*:1])no1
CC(C)(C)c1nc(C[NH+]2CCN(CCO)CC2)no1 CC(C)(C)[*:1] OCCN1CC[NH+](CC1)Cc1noc(n1)[*:1]
CCCn1cc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)cn1 CS(=O)(=O)[*:1] CCCn1cc(cn1)NC(=O)c1cc(ccc1C)[*:1]
CCCn1cc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)cn1 CCC[*:1] Cc1ccc(cc1C(=O)Nc1cnn(c1)[*:1])S(C)(=O)=O
Cc1cc([C@@H](C)NC(=O)NCc2ccco2)cc(C)c1F c1coc(c1)C[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)N[*:1]
Cc1cc([C@@H](C)NC(=O)NCc2ccco2)cc(C)c1F c1coc(c1)[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)NC[*:1]
CCC(CC)NC(=O)COc1coc(CO)cc1=O CCC(CC)[*:1] O=C(COc1coc(cc1=O)CO)N[*:1]
CC(C)c1ccc(C(=O)NCc2cnn(C)c2N)cc1 CC(C)[*:1] Cn1ncc(CNC(=O)c2ccc(cc2)[*:1])c1N
C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)c1cccc(Cl)c1 c1csc(c1)[*:1] C[C@@H](OC(=O)C=C[*:1])C(=O)c1cccc(Cl)c1
C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)c1cccc(Cl)c1 C(=C[*:1])c1cccs1 C[C@@H](OC(=O)[*:1])C(=O)c1cccc(Cl)c1
C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)[*:1]
CCn1cc(C)c(C(=O)[O-])c1CC(=O)NCc1cccc(C)c1 Cc1cccc(c1)[*:1] CCn1cc(C)c(C(=O)[O-])c1CC(=O)NC[*:1]
CCn1cc(C)c(C(=O)[O-])c1CC(=O)NCc1cccc(C)c1 O=C([O-])[*:1] CCn1cc(C)c(c1CC(=O)NCc1cccc(C)c1)[*:1]
CCC(CC)N(CC(F)(F)F)C(=O)[C@H]1CC[C@H](C[NH3+])O1 CCC(CC)[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)N(CC(F)(F)F)[*:1]
CCC(CC)N(CC(F)(F)F)C(=O)[C@H]1CC[C@H](C[NH3+])O1 FC(F)(F)[*:1] CCC(CC)N(C[*:1])C(=O)[C@H]1CC[C@H](C[NH3+])O1
CCC(CC)N(CC(F)(F)F)C(=O)[C@H]1CC[C@H](C[NH3+])O1 FC(F)(F)C[*:1] CCC(CC)N(C(=O)[C@H]1CC[C@H](C[NH3+])O1)[*:1]
CC(=O)Nc1c(Cl)c(Cl)c(NC(C)=O)c2n[n-]nc12 CC(=O)N[*:1] CC(=O)Nc1c(Cl)c(Cl)c(c2n[n-]nc12)[*:1]
CCN(C[C@@H](C)C#N)C(=O)c1csc(C#CCO)c1 OCC#C[*:1] CCN(C[C@@H](C)C#N)C(=O)c1csc(c1)[*:1]
CCN(C[C@@H](C)C#N)C(=O)c1csc(C#CCO)c1 C[C@@H](C#N)[*:1] CCN(C[*:1])C(=O)c1csc(C#CCO)c1
CCN(C[C@@H](C)C#N)C(=O)c1csc(C#CCO)c1 C[C@@H](C#N)C[*:1] CCN(C(=O)c1csc(C#CCO)c1)[*:1]
CC[NH2+]C/C=C/c1ccc(C(=O)OC)o1 COC(=O)[*:1] CC[NH2+]C/C=C/c1ccc(o1)[*:1]
Cc1cc(C(=O)N(C)C[C@@H]2CCCCO2)sc1C#CCO C1CC[C@@H](C[*:1])OC1 Cc1cc(sc1C#CCO)C(=O)N(C)[*:1]
Cc1cc(C(=O)N(C)C[C@@H]2CCCCO2)sc1C#CCO C1CC[C@H](OC1)[*:1] Cc1cc(sc1C#CCO)C(=O)N(C)C[*:1]
Cc1cc(C(=O)N(C)C[C@@H]2CCCCO2)sc1C#CCO OCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N(C)C[C@@H]1CCCCO1
C[C@H](Cl)CC[NH2+]C[C@H]1CSc2ccccc21 C[C@H](Cl)C[*:1] c1ccc2c(c1)SC[C@@H]2C[NH2+]C[*:1]
C[C@H](Cl)CC[NH2+]C[C@H]1CSc2ccccc21 C[C@H](Cl)[*:1] c1ccc2c(c1)SC[C@@H]2C[NH2+]CC[*:1]
Cc1nccn1-c1ccc(CNC(=O)Nc2ncnn2C)cn1 Cc1nccn1[*:1] Cn1ncnc1NC(=O)NCc1ccc(nc1)[*:1]
Cc1nccn1-c1ccc(CNC(=O)Nc2ncnn2C)cn1 Cn1ncnc1[*:1] Cc1nccn1-c1ccc(cn1)CNC(=O)N[*:1]
Cn1ncnc1NC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cn1ncnc1NC(=O)N1CCC(CC1)[C@@H](O)[*:1]
Cn1ncnc1NC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 Cn1ncnc1[*:1] O=C(N[*:1])N1CCC(CC1)[C@@H](O)c1ccc(F)cc1
O=C(CCn1ccnc1)NC[C@H]1Cc2ccccc2O1 c1cn(cn1)[*:1] O=C(CC[*:1])NC[C@H]1Cc2ccccc2O1
O=C(CCn1ccnc1)NC[C@H]1Cc2ccccc2O1 c1cn(cn1)C[*:1] O=C(C[*:1])NC[C@H]1Cc2ccccc2O1
CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)cc(OC)c1OC CCN(CC)C(=O)[*:1] COc1cc(Br)cc(c1OC)[C@@H]1NC(=S)NC(C)=C1[*:1]
C#CCN(CC#C)C(=O)CCSc1ccc(F)cc1 C#CC[*:1] C#CCN(C(=O)CCSc1ccc(F)cc1)[*:1]
CC(C)[NH2+][C@]1(CO)CCC[C@@H](Sc2ccc(Br)cc2)C1 CC(C)[*:1] OC[C@]1(CCC[C@H](C1)Sc1ccc(Br)cc1)[NH2+][*:1]
O=C(NCC1(O)CCOCC1)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O OC1(CCOCC1)C[*:1] O=C(N[*:1])[C@@H]1CCN(C1=O)c1cc(F)cc(F)c1
O=C(NCC1(O)CCOCC1)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O OC1(CCOCC1)[*:1] O=C(NC[*:1])[C@@H]1CCN(C1=O)c1cc(F)cc(F)c1
O=C(NCC1(O)CCOCC1)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O Fc1cc(F)cc(c1)[*:1] O=C(NCC1(O)CCOCC1)[C@@H]1CCN(C1=O)[*:1]
C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1cncc(F)c1 C1CC(CCO1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)CO[*:1])c1cncc(F)c1
C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1cncc(F)c1 C1CC(CCO1)OC[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1cncc(F)c1
C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1cncc(F)c1 C1CC(CCO1)O[*:1] C[C@H]([NH2+]Cc1ccc(cc1)C[*:1])c1cncc(F)c1
C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1cncc(F)c1 Fc1cncc(c1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)COC1CCOCC1)[*:1]
COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(C)c(C)c1 COC(=O)[*:1] Cc1ccc(cc1C)NS(=O)(=O)c1c(csc1[*:1])-c1ccccc1
COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)N[*:1]
COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(C)c(C)c1 c1ccc(cc1)[*:1] COC(=O)c1scc(c1S(=O)(=O)Nc1ccc(C)c(C)c1)[*:1]
C[NH2+]C[C@@H](C)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C NS(=O)(=O)[*:1] C[NH2+]C[C@@H](C)C(=O)Nc1cc(cc(C)c1C)[*:1]
Cc1csc(Sc2ccc(C(=O)NCC(C)C)cc2[N+](=O)[O-])n1 CC(C)[*:1] Cc1csc(n1)Sc1ccc(cc1[N+](=O)[O-])C(=O)NC[*:1]
Cc1csc(Sc2ccc(C(=O)NCC(C)C)cc2[N+](=O)[O-])n1 Cc1csc(n1)S[*:1] CC(C)CNC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1csc(Sc2ccc(C(=O)NCC(C)C)cc2[N+](=O)[O-])n1 CC(C)C[*:1] Cc1csc(n1)Sc1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
Cc1csc(Sc2ccc(C(=O)NCC(C)C)cc2[N+](=O)[O-])n1 Cc1csc(n1)[*:1] CC(C)CNC(=O)c1ccc(S[*:1])c(c1)[N+](=O)[O-]
Cc1csc(Sc2ccc(C(=O)NCC(C)C)cc2[N+](=O)[O-])n1 CC(C)CNC(=O)[*:1] Cc1csc(n1)Sc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1csc(Sc2ccc(C(=O)NCC(C)C)cc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1csc(n1)Sc1ccc(cc1[*:1])C(=O)NCC(C)C
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@H]2c2ccncc2)c1 COc1cccc(c1)[*:1] Cc1cc(C)c2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccncc1
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@H]2c2ccncc2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(c2nc3c(C)cc(C)cc3s2)[C@@H]1[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@H]2c2ccncc2)c1 COc1cccc(c1)C(=O)[*:1] Cc1cc(C)c2nc(sc2c1)N1C(=O)C([O-])=C([C@@H]1c1ccncc1)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@H]2c2ccncc2)c1 Cc1cc(C)c2nc(sc2c1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccncc1)[*:1]
C[C@H](OC(=O)c1ccc(F)cc1OC(F)F)[C@H]1CCOC1 FC(F)O[*:1] C[C@H](OC(=O)c1ccc(F)cc1[*:1])[C@H]1CCOC1
C[C@H](OC(=O)c1ccc(F)cc1OC(F)F)[C@H]1CCOC1 FC(F)[*:1] C[C@H](OC(=O)c1ccc(F)cc1O[*:1])[C@H]1CCOC1
C[C@H](OC(=O)c1ccc(F)cc1OC(F)F)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@H](OC(=O)c1ccc(F)cc1OC(F)F)[*:1]
OCc1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2 c1ccc(cc1)[*:1] OCc1c(c(-c2ccccc2)c2CCCn21)[*:1]
OCc1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2 c1ccc(cc1)[*:1] OCc1c(-c2ccccc2)c(c2CCCn12)[*:1]
COc1ccc(-c2nnc3sc(Cc4cccs4)nn23)cc1 c1csc(c1)C[*:1] COc1ccc(cc1)-c1nnc2sc(nn12)[*:1]
COc1ccc(-c2nnc3sc(Cc4cccs4)nn23)cc1 c1csc(c1)[*:1] COc1ccc(cc1)-c1nnc2sc(C[*:1])nn12
Cc1[nH+]ccn1CCN(C)C(=O)c1cc(COc2ccccc2F)[nH]n1 Fc1ccccc1O[*:1] Cc1[nH+]ccn1CCN(C)C(=O)c1cc(C[*:1])[nH]n1
Cc1[nH+]ccn1CCN(C)C(=O)c1cc(COc2ccccc2F)[nH]n1 Fc1ccccc1[*:1] Cc1[nH+]ccn1CCN(C)C(=O)c1cc(CO[*:1])[nH]n1
Cc1ccccc1N[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccccc1N[C@@H](C)C(=O)N(C)C[*:1]
Cc1ccccc1N[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 Cc1ccccc1[*:1] C[C@H](N[*:1])C(=O)N(C)Cc1cccc(F)c1
Cc1cc(OCC(=O)Nc2ccc(CNC(N)=O)cc2)ccc1C(C)C NC(=O)NC[*:1] Cc1cc(ccc1C(C)C)OCC(=O)Nc1ccc(cc1)[*:1]
Cc1cc(OCC(=O)Nc2ccc(CNC(N)=O)cc2)ccc1C(C)C NC(=O)N[*:1] Cc1cc(ccc1C(C)C)OCC(=O)Nc1ccc(cc1)C[*:1]
Cc1cc(OCC(=O)Nc2ccc(CNC(N)=O)cc2)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCC(=O)Nc1ccc(cc1)CNC(N)=O
C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C[*:1])n1cnnn1
C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](Cc1ccccc1)n1cnnn1 c1nnnn1[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](Cc1ccccc1)[*:1]
C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)C[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](n1cnnn1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)c1occc1C Cc1ccoc1[*:1] CCN(Cc1cccc(C)c1)C(=O)[*:1]
C[C@H](C(=O)NC[C@H](O)c1c(F)cccc1F)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)NC[C@H](O)c1c(F)cccc1F)[*:1]
C[C@H](C(=O)NC[C@H](O)c1c(F)cccc1F)c1ccsc1 C[C@H](c1ccsc1)[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)[*:1]
CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c1 CC(=O)N[*:1] O=C(N[C@@H]1CCCc2ccc(F)cc21)c1cc(ccc1Cl)[*:1]
COC(=O)[C@H](C)Oc1ccc(C[C@@H](C)[NH3+])nc1 COC(=O)[*:1] C[C@H](Oc1ccc(C[C@@H](C)[NH3+])nc1)[*:1]
c1nnc(CC[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)n1C1CC1 C1CC1[*:1] c1nnc(CC[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)n1[*:1]
c1nnc(CC[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)n1C1CC1 C1CCC(CC1)[*:1] c1nnc(CC[NH2+][C@@H]2CCCC[C@H]2[*:1])n1C1CC1
COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccc(Cl)cc2)n1[*:1])N1CCCCC1
COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)N1CCCCC1
COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc(Cl)cc2)cc1 O=C(N1CCCCC1)[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccc(Cl)cc1)SC[*:1]
COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc(Cl)cc2)cc1 O=C(CS[*:1])N1CCCCC1 COc1ccc(cc1)-n1c(nnc1[*:1])-c1ccc(Cl)cc1
COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc(Cl)cc2)cc1 O=C(C[*:1])N1CCCCC1 COc1ccc(cc1)-n1c(nnc1-c1ccc(Cl)cc1)S[*:1]
CC(=O)N[C@@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1 CC(=O)N[*:1] CN(C)c1cc(C[C@@H](c2ccccc2)[*:1])nc(n1)C1CC1
CC(=O)N[C@@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1 C1CC1[*:1] CC(=O)N[C@@H](Cc1cc(nc(n1)[*:1])N(C)C)c1ccccc1
CC(=O)N[C@@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](Cc1cc(nc(n1)C1CC1)N(C)C)[*:1]
CC(=O)N[C@@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1 CN(C)[*:1] CC(=O)N[C@@H](Cc1cc(nc(n1)C1CC1)[*:1])c1ccccc1
Cc1occc1C(=O)Nc1nc(CC(=O)NCC2(c3ccccc3)CCC2)cs1 Cc1occc1C(=O)N[*:1] O=C(Cc1csc(n1)[*:1])NCC1(CCC1)c1ccccc1
Cc1occc1C(=O)Nc1nc(CC(=O)NCC2(c3ccccc3)CCC2)cs1 Cc1occc1[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])NCC1(CCC1)c1ccccc1
Cc1occc1C(=O)Nc1nc(CC(=O)NCC2(c3ccccc3)CCC2)cs1 c1ccc(cc1)[*:1] Cc1occc1C(=O)Nc1nc(cs1)CC(=O)NCC1(CCC1)[*:1]
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCOC1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCO[*:1]
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCOC1CCOCC1 C1CC(CCO1)O[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CC[*:1]
C[C@@H]1CN(C(=O)c2c(F)cc(Br)cc2F)C[C@H]1C(=O)[O-] O=C([O-])[*:1] C[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1c(F)cc(Br)cc1F
CSc1cccc(NC(=O)COC(=O)c2cc[n+]([O-])cc2)c1 [O-][n+]1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)COC(=O)[*:1]
CC[C@H](CCO)NC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1 CC[S@](=O)[*:1] CC[C@H](CCO)NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CC[C@H](CCO)NC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1 CC[C@H](CCO)[*:1] CC[S@](=O)[C@H]1CCC[C@H](C1)NC(=O)N[*:1]
CC[C@H](CCO)NC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1 OCC[*:1] CC[C@H](NC(=O)N[C@@H]1CCC[C@@H](C1)[S@@](=O)CC)[*:1]
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@H](C)[NH3+] FC(F)(F)[*:1] Cc1nn(-c2cccc(c2)[*:1])c(C)c1[C@H](C)[NH3+]
CSC[C@H](C)N(C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C CSC[C@H](C)[*:1] C[C@H]1CC[C@@H](NC(=O)N(C)[*:1])[C@H](C)C1
CSC[C@H](C)N(C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C CSC[*:1] C[C@H]1CC[C@@H](NC(=O)N(C)[C@@H](C)[*:1])[C@H](C)C1
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(F)c1 CC(=O)[*:1] O=C(c1ccc(Cl)cc1Cl)N1CCN(CC1)c1ccc(cc1F)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(F)c1 Clc1ccc(c(Cl)c1)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)[*:1]
COc1cc(COC(=O)[C@H]2C[C@@H]2C)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])COC(=O)[C@H]1C[C@@H]1C
COc1cc(COC(=O)[C@H]2C[C@@H]2C)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])COC(=O)[C@H]1C[C@@H]1C
Cn1ccnc1[C@H](NC(=O)Cc1c(F)cccc1F)c1ccc(F)cc1 Fc1cccc(F)c1[*:1] Cn1ccnc1[C@H](NC(=O)C[*:1])c1ccc(F)cc1
Cn1ccnc1[C@H](NC(=O)Cc1c(F)cccc1F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)Cc1c(F)cccc1F)[*:1]
Cn1ccnc1[C@H](NC(=O)Cc1c(F)cccc1F)c1ccc(F)cc1 Cn1ccnc1[*:1] O=C(Cc1c(F)cccc1F)N[C@H](c1ccc(F)cc1)[*:1]
CC(=O)Nc1ccc(O)c(C(=O)Nc2cncc3ccccc23)c1 CC(=O)N[*:1] O=C(Nc1cncc2ccccc12)c1cc(ccc1O)[*:1]
COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(OC)cc3)S2)cc1 COC(=O)[*:1] COc1ccc(cc1)/N=C1\S[C@H](CC(=O)N1C)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(OC)cc3)S2)cc1 COC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)/N=C1\S[C@H](CC(=O)N1C)C(=O)N[*:1]
COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(OC)cc3)S2)cc1 COc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C)C(=N[*:1])S1
CC(C)OCCCNC(=O)C1CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 CC(C)[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC1)C(=O)NCCCO[*:1]
CC(C)OCCCNC(=O)C1CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 CC(C)OCCC[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)OCCCNC(=O)C1CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 CC(C)OC[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC1)C(=O)NCC[*:1]
CC(C)OCCCNC(=O)C1CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 CC(C)O[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC1)C(=O)NCCC[*:1]
CC(C)OCCCNC(=O)C1CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 CC(C)OCC[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC1)C(=O)NC[*:1]
CCc1nc2sc([C@@H](c3ccccc3Cl)[NH+]3CCCCC3)c([O-])n2n1 Clc1ccccc1[*:1] CCc1nc2sc(c([O-])n2n1)[C@@H]([NH+]1CCCCC1)[*:1]
O=C([O-])[C@H]1CCCCN1c1cc[nH+]c2ccccc12 O=C([O-])[*:1] c1ccc2c(cc[nH+]c2c1)N1CCCC[C@@H]1[*:1]
Cc1cnn(C[C@H]2CN(Cc3nnnn3C3CC3)CCO2)c1 Cc1cnn(c1)[*:1] C1CN(Cc2nnnn2C2CC2)C[C@H](C[*:1])O1
Cc1cnn(C[C@H]2CN(Cc3nnnn3C3CC3)CCO2)c1 C1CC1[*:1] Cc1cnn(c1)C[C@H]1CN(CCO1)Cc1nnnn1[*:1]
Cc1cnn(C[C@H]2CN(Cc3nnnn3C3CC3)CCO2)c1 Cc1cnn(c1)C[*:1] C1CN(Cc2nnnn2C2CC2)C[C@@H](O1)[*:1]
Cc1ccc(C(=O)NNC(=O)/C=C/c2cccc3cccnc23)o1 Cc1ccc(o1)[*:1] O=C(/C=C/c1cccc2cccnc12)NNC(=O)[*:1]
C[NH+](C)C[C@H]1C[C@@H](O)CN1C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[NH+](C)C[C@H]1C[C@@H](O)CN1C(=O)N[*:1]
CCOC(=O)C1=C(C)[C@@H](c2ccc(F)cc2)NC(=O)N1 CCOC(=O)[*:1] CC1=C(NC(=O)N[C@@H]1c1ccc(F)cc1)[*:1]
O=S(=O)(c1ccccc1Cl)c1nnn2c1nc([O-])c1ccccc12 Clc1ccccc1[*:1] O=S(=O)(c1nnn2c1nc([O-])c1ccccc12)[*:1]
CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 C1CC1[*:1] CS(=O)(=O)N[C@@H]1CCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 O=S(=O)(NC1CC1)[*:1] CS(=O)(=O)N[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 CS(=O)(=O)N[*:1] O=C(c1cccc(c1)S(=O)(=O)NC1CC1)N1CCC[C@H](C1)[*:1]
CNc1cccc(CN(C)[C@H](C)CC(C)C)[nH+]1 CC(C)C[*:1] CNc1cccc(CN(C)[C@H](C)[*:1])[nH+]1
CNc1cccc(CN(C)[C@H](C)CC(C)C)[nH+]1 CC(C)[*:1] CNc1cccc(CN(C)[C@H](C)C[*:1])[nH+]1
CCOC[C@H](C)Nc1nc2ccc(F)cc2s1 CCOC[*:1] C[C@H](Nc1nc2ccc(F)cc2s1)[*:1]
CCOC[C@H](C)Nc1nc2ccc(F)cc2s1 CCO[*:1] C[C@@H](C[*:1])Nc1nc2ccc(F)cc2s1
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
C[C@@H]1CC(=O)N([C@@H]2C=C[C@@H](C(=O)[O-])C2)C1=O O=C([O-])[*:1] C[C@@H]1CC(=O)N(C1=O)[C@@H]1C=C[C@@H](C1)[*:1]
CC1(C)C[C@@H]([NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)C(C)(C)O1 c1ccc(cc1)[*:1] CC1(C)C[C@@H]([NH2+]CCCC(=O)N2CCN(CC2)[*:1])C(C)(C)O1
CC(C)c1ccc([C@H](C)CC(=O)NCC(=O)Nc2cccnc2)cc1 CC(C)[*:1] C[C@H](CC(=O)NCC(=O)Nc1cccnc1)c1ccc(cc1)[*:1]
CC(C)c1ccc([C@H](C)CC(=O)NCC(=O)Nc2cccnc2)cc1 c1cncc(c1)[*:1] CC(C)c1ccc(cc1)[C@H](C)CC(=O)NCC(=O)N[*:1]
CCC(CC)(NC(=O)CC1([NH3+])CCCC1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)CC1([NH3+])CCCC1)[*:1]
CCC(CC)(NC(=O)CC1([NH3+])CCCC1)C(=O)[O-] [NH3+]C1(CCCC1)[*:1] CCC(CC)(NC(=O)C[*:1])C(=O)[O-]
Cc1ccc(/C=C/S(=O)(=O)N[C@H](C)c2sc(C)nc2C)cc1 Cc1nc(C)c(s1)[*:1] Cc1ccc(/C=C/S(=O)(=O)N[C@H](C)[*:1])cc1
Cc1ccc(/C=C/S(=O)(=O)N[C@H](C)c2sc(C)nc2C)cc1 Cc1ccc(cc1)[*:1] Cc1nc(C)c(s1)[C@@H](C)NS(=O)(=O)C=C[*:1]
COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 CC(C)[*:1] COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(cc1)[*:1]
O=C(CSCc1ccc(Cl)s1)N1CCC[C@@H](c2nnc3ccccn23)C1 Clc1ccc(s1)[*:1] O=C(CSC[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
O=C(CSCc1ccc(Cl)s1)N1CCC[C@@H](c2nnc3ccccn23)C1 Clc1ccc(C[*:1])s1 O=C(CS[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
O=C(CSCc1ccc(Cl)s1)N1CCC[C@@H](c2nnc3ccccn23)C1 Clc1ccc(CS[*:1])s1 O=C(C[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
CC(C)COc1ccc(N)cc1F CC(C)[*:1] Nc1ccc(OC[*:1])c(F)c1
CC(C)COc1ccc(N)cc1F CC(C)C[*:1] Nc1ccc(O[*:1])c(F)c1
CCS(=O)(=O)CCC[C@H]([NH3+])[C@@H]1CN(C(C)C)CCO1 CCS(=O)(=O)[*:1] CC(C)N1CCO[C@@H](C1)[C@@H]([NH3+])CCC[*:1]
CCS(=O)(=O)CCC[C@H]([NH3+])[C@@H]1CN(C(C)C)CCO1 CCS(=O)(=O)C[*:1] CC(C)N1CCO[C@@H](C1)[C@@H]([NH3+])CC[*:1]
CCS(=O)(=O)CCC[C@H]([NH3+])[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] CCS(=O)(=O)CCC[C@H]([NH3+])[C@@H]1CN(CCO1)[*:1]
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCC(C)(C)c2ccncc2)C2CC2)o1 C1CC1[*:1] C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCC(C)(C)c2ccncc2)[*:1])o1
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCC(C)(C)c2ccncc2)C2CC2)o1 CC(C)(c1ccncc1)[*:1] C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NC[*:1])C2CC2)o1
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCC(C)(C)c2ccncc2)C2CC2)o1 c1cc(ccn1)[*:1] C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCC(C)(C)[*:1])C2CC2)o1
CC1CCC([NH+](Cc2ncn(-c3ccccc3)n2)C2CCC(O)CC2)CC1 c1ccc(cc1)[*:1] CC1CCC(CC1)[NH+](Cc1ncn(n1)[*:1])C1CCC(O)CC1
CC1CCC([NH+](Cc2ncn(-c3ccccc3)n2)C2CCC(O)CC2)CC1 CC1CCC(CC1)[*:1] OC1CCC(CC1)[NH+](Cc1ncn(n1)-c1ccccc1)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 FC(F)(F)[*:1] O=[N+]([O-])c1cc(ccc1N1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 Clc1ccc(Cl)c(c1)[*:1] O=[N+]([O-])c1cc(ccc1N1CCN(CC1)S(=O)(=O)[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 O=[N+]([O-])[*:1] O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccs3)[C@H]4C2=O)cc1C c1csc(n1)[*:1] Cc1ccc(cc1C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)C[*:1])[C@H]3C1=O
Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccs3)[C@H]4C2=O)cc1C c1csc(C[*:1])n1 Cc1ccc(cc1C)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)[*:1])[C@H]3C1=O
Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccs3)[C@H]4C2=O)cc1C Cc1ccc(cc1C)[*:1] CN(Cc1nccs1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@H]13)O2
Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccs3)[C@H]4C2=O)cc1C CN(Cc1nccs1)C(=O)[*:1] Cc1ccc(cc1C)CN1C[C@]23C=C[C@H](O2)[C@H]([C@H]3C1=O)[*:1]
Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccs3)[C@H]4C2=O)cc1C Cc1ccc(cc1C)C[*:1] CN(Cc1nccs1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2
COc1ccc([C@H](CNC(=O)[C@@H](C)n2cncn2)[NH+]2CCCCC2)cc1 c1ncn(n1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)[C@@H](C)[*:1])[NH+]1CCCCC1
COc1ccc([C@H](CNC(=O)[C@@H](C)n2cncn2)[NH+]2CCCCC2)cc1 C[C@@H](n1cncn1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)[*:1])[NH+]1CCCCC1
COc1ccc([C@H](CNC(=O)[C@@H](C)n2cncn2)[NH+]2CCCCC2)cc1 COc1ccc(cc1)[*:1] C[C@H](C(=O)NC[C@H]([NH+]1CCCCC1)[*:1])n1cncn1
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(F)c(C)c1 Cc1cc(ccc1F)[*:1] CCOc1ccccc1NC(=O)C(C#N)=C[*:1]
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(F)c(C)c1 CCO[*:1] Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[*:1])ccc1F
C=C1C=C([O-])N2C(=NC(NCCC3=c4cc(OC)ccc4=[NH+]C3)=[NH+][C@@H]2c2ccccc2)N1 c1ccc(cc1)[*:1] C=C1C=C([O-])N2C(=NC(NCCC3C[NH+]=c4ccc(cc4=3)OC)=[NH+][C@H]2[*:1])N1
O=[N+]([O-])c1cccc(/C=C2\CCc3cnn([C@@H]4CCS(=O)(=O)C4)c32)c1 O=[N+]([O-])[*:1] O=S1(=O)CC[C@H](C1)n1ncc2CC/C(=C\c3cccc(c3)[*:1])c21
Cc1ccc(NC(=O)CNC(=O)c2ccc(Br)cc2)c(C)c1 Brc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CNC(=O)[*:1])c(C)c1
CN(CC1CC[NH+](C)CC1)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)[*:1] CN(CC1CC[NH+](C)CC1)C(=O)NC1CCC(CC1)[*:1]
CN(CC1CC[NH+](C)CC1)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CN(CC1CC[NH+](C)CC1)C(=O)NC1CCC(CC1)C(=O)O[*:1]
O=C1CN(c2ccccc2)C(=O)N1Cc1cccc(OC(F)F)c1 FC(F)O[*:1] O=C1CN(C(=O)N1Cc1cccc(c1)[*:1])c1ccccc1
O=C1CN(c2ccccc2)C(=O)N1Cc1cccc(OC(F)F)c1 c1ccc(cc1)[*:1] O=C1CN(C(=O)N1Cc1cccc(c1)OC(F)F)[*:1]
O=C1CN(c2ccccc2)C(=O)N1Cc1cccc(OC(F)F)c1 FC(F)[*:1] O=C1CN(C(=O)N1Cc1cccc(c1)O[*:1])c1ccccc1
COCCn1nc([C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)n(C2CC2)c1=O C1CC1[*:1] COCCn1nc([C@H]2CCCN(C2)C(=O)c2cnc3ccccc3n2)n(c1=O)[*:1]
COCCn1nc([C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)n(C2CC2)c1=O COC[*:1] O=C(c1cnc2ccccc2n1)N1CCC[C@@H](C1)c1nn(C[*:1])c(=O)n1C1CC1
COCCn1nc([C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)n(C2CC2)c1=O c1ccc2nc(cnc2c1)[*:1] COCCn1nc([C@H]2CCCN(C2)C(=O)[*:1])n(c1=O)C1CC1
COCCn1nc([C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)n(C2CC2)c1=O COCC[*:1] O=C(c1cnc2ccccc2n1)N1CCC[C@@H](C1)c1nn(c(=O)n1C1CC1)[*:1]
CC[NH2+][C@@H](c1cccc(C)c1)[C@H](C)OC CO[C@@H](C)[*:1] CC[NH2+][C@@H](c1cccc(C)c1)[*:1]
O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)CC1 Fc1cccc(c1)[*:1] O=C(c1cc(Cl)c2OCOc2c1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)Cc1nnc(o1)SCC(=O)N[*:1]
COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(NC(=O)CSc2nnc(o2)[*:1])c(C)c1
COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CSc2nnc(C[*:1])o2)c(C)c1
Cc1cc(C)c2c(CC(=O)N(CC[NH+](C)C)[C@H]3CCS(=O)(=O)C3)c(C)[nH]c2c1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1cc(C)c2c(CC(=O)N(CC[NH+](C)C)[*:1])c(C)[nH]c2c1
CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)c1cnn(-c2ccccc2)c1 c1cc2OCOc2cc1[*:1] CN(C[*:1])C(=O)C(=O)c1cnn(c1)-c1ccccc1
CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CN(Cc1ccc2OCOc2c1)C(=O)C(=O)c1cnn(c1)[*:1]
Cc1ccc(Cl)cc1NCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 Cc1ccc(Cl)cc1[*:1] O=C1[C@@H]2[C@H](C(=O)N1CN[*:1])[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
CC(=O)N(CCc1ccccc1)CC(=O)N(C)c1nc(C)cs1 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)N(C)c1nc(C)cs1)C[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N(C)c1nc(C)cs1 Cc1csc(n1)[*:1] CC(=O)N(CCc1ccccc1)CC(=O)N(C)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N(C)c1nc(C)cs1 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)N(C)c1nc(C)cs1
CN(C)c1ncccc1C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)CO[*:1] CN(C)c1ncccc1C(=O)Nc1ccc(F)cc1[*:1]
CN(C)c1ncccc1C(=O)Nc1ccc(F)cc1OCC(F)F CN(C)[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)c1cccnc1[*:1]
CN(C)c1ncccc1C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)C[*:1] CN(C)c1ncccc1C(=O)Nc1ccc(F)cc1O[*:1]
CN(C)c1ncccc1C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)[*:1] CN(C)c1ncccc1C(=O)Nc1ccc(F)cc1OC[*:1]
CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cccnc2Cl)cc1 Clc1ncccc1[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)[C@H](C)OC(=O)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cccnc2Cl)cc1 CC(C)[*:1] C[C@H](OC(=O)c1cccnc1Cl)C(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cccnc2Cl)cc1 CC(C)C(=O)N[*:1] C[C@H](OC(=O)c1cccnc1Cl)C(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccsc1NC(=O)CN(C)C(=O)c1c[nH]c2ccccc12 COC(=O)[*:1] CN(CC(=O)Nc1sccc1[*:1])C(=O)c1c[nH]c2ccccc12
CCSc1ccc(NC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)cn1 CCS[*:1] Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(nc1)[*:1]
CCSc1ccc(NC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)cn1 Cc1nnnn1[*:1] CCSc1ccc(cn1)NC(=O)C(=Cc1ccc(F)cc1)[*:1]
CCSc1ccc(NC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)cn1 CCSc1ccc(cn1)[*:1] Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[*:1]
CCSc1ccc(NC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)cn1 Fc1ccc(cc1)[*:1] CCSc1ccc(cn1)NC(=O)C(=C[*:1])n1nnnc1C
COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 COc1cccc(c1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](N1[C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(N2C[C@H](C(=O)Nc3cccc(-n4c(C)c[nH]c4=O)c3)CC2=O)cc1 COc1ccc(cc1)[*:1] Cc1c[nH]c(=O)n1-c1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@H](C(=O)Nc3cccc(-n4c(C)c[nH]c4=O)c3)CC2=O)cc1 Cc1c[nH]c(=O)n1[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
CCCN(C(=O)c1cc(C(N)=O)cn1C)[C@@H]1CCc2ccccc2C1 NC(=O)[*:1] CCCN(C(=O)c1cc(cn1C)[*:1])[C@@H]1CCc2ccccc2C1
CCCN(C(=O)c1cc(C(N)=O)cn1C)[C@@H]1CCc2ccccc2C1 CCC[*:1] Cn1cc(cc1C(=O)N([C@@H]1CCc2ccccc2C1)[*:1])C(N)=O
COc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2)cc1Cl NNC(=O)[*:1] COc1ccc(cc1Cl)N(C[*:1])S(=O)(=O)c1ccccc1
COc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2)cc1Cl NNC(=O)C[*:1] COc1ccc(cc1Cl)N(S(=O)(=O)c1ccccc1)[*:1]
COc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)N(CC(=O)NN)S(=O)(=O)[*:1]
Cc1ccc(NC(=O)c2ccc(S(N)(=O)=O)c(F)c2)c(C)c1 NS(=O)(=O)[*:1] Cc1ccc(NC(=O)c2ccc(c(F)c2)[*:1])c(C)c1
CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)C1=O CCC[*:1] O=C1N[C@@](C[*:1])(C(=O)N1CN1CC[NH+](CC1)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1
CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)C1=O Fc1ccc(cc1)[*:1] CCCC[C@@]1(NC(=O)N(CN2CC[NH+](CC2)[C@H]2CCS(=O)(=O)C2)C1=O)[*:1]
CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CN2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)C1=O CCCC[*:1] O=C1N[C@](C(=O)N1CN1CC[NH+](CC1)[C@H]1CCS(=O)(=O)C1)(c1ccc(F)cc1)[*:1]
O=C(NC1CC[NH+](Cn2cc(Cl)cn2)CC1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)Cn1cc(Cl)cn1)O[*:1]
O=C(NC1CC[NH+](Cn2cc(Cl)cn2)CC1)Oc1ccccc1 Clc1cnn(c1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])Oc1ccccc1
O=C(NC1CC[NH+](Cn2cc(Cl)cn2)CC1)Oc1ccccc1 Clc1cnn(c1)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])Oc1ccccc1
CN(CC(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1)C(=O)[*:1]
Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4Cl)c3)nc2c1 Clc1ccccc1O[*:1] Cc1ccn2c(=O)cc(COc3cccc(c3)NC(=O)C[*:1])nc2c1
Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4Cl)c3)nc2c1 Clc1ccccc1OC[*:1] Cc1ccn2c(=O)cc(COc3cccc(c3)NC(=O)[*:1])nc2c1
Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4Cl)c3)nc2c1 Clc1ccccc1[*:1] Cc1ccn2c(=O)cc(COc3cccc(c3)NC(=O)CO[*:1])nc2c1
Cc1cnc(C(=O)NCC[C@](O)(c2ccc(C)o2)C(F)(F)F)cn1 Cc1ccc(o1)[*:1] Cc1cnc(cn1)C(=O)NCC[C@](O)(C(F)(F)F)[*:1]
Cc1cnc(C(=O)NCC[C@](O)(c2ccc(C)o2)C(F)(F)F)cn1 Cc1cnc(cn1)[*:1] Cc1ccc(o1)[C@@](O)(CCNC(=O)[*:1])C(F)(F)F
Cc1cnc(C(=O)NCC[C@](O)(c2ccc(C)o2)C(F)(F)F)cn1 FC(F)(F)[*:1] Cc1cnc(cn1)C(=O)NCC[C@](O)(c1ccc(C)o1)[*:1]
CC(C)n1ncc2cc(NC(=O)CN3C(=O)[C@@H](C)Oc4ccccc43)cnc21 CC(C)[*:1] C[C@H]1Oc2ccccc2N(CC(=O)Nc2cnc3c(cnn3[*:1])c2)C1=O
C[C@H]1Oc2c(cccc2C(=O)N2CCC[C@@H]2c2cnn(C)c2)NC1=O Cn1cc(cn1)[*:1] C[C@H]1Oc2c(cccc2C(=O)N2CCC[C@H]2[*:1])NC1=O
C[C@H](CC(=O)c1cccs1)NC(=O)c1n[nH]c2ccccc12 O=C(c1cccs1)[*:1] C[C@H](C[*:1])NC(=O)c1n[nH]c2ccccc12
C[C@H](CC(=O)c1cccs1)NC(=O)c1n[nH]c2ccccc12 c1csc(c1)[*:1] C[C@H](CC(=O)[*:1])NC(=O)c1n[nH]c2ccccc12
COc1ccccc1NCC(=O)NNC(=O)c1oc2c(C)ccc(C)c2c1C COc1ccccc1[*:1] Cc1ccc(C)c2c(C)c(oc12)C(=O)NNC(=O)CN[*:1]
COc1ccccc1NCC(=O)NNC(=O)c1oc2c(C)ccc(C)c2c1C COc1ccccc1N[*:1] Cc1ccc(C)c2c(C)c(oc12)C(=O)NNC(=O)C[*:1]
Cn1cc(C=C(C#N)C#N)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(C=C(C#N)C#N)c(n1)[*:1]
CN(C(=O)C1CCN(C(=O)C2CC2)CC1)C1CCCC1 C1CC1[*:1] CN(C(=O)C1CCN(CC1)C(=O)[*:1])C1CCCC1
CN(C(=O)C1CCN(C(=O)C2CC2)CC1)C1CCCC1 C1CCC(C1)[*:1] CN(C(=O)C1CCN(CC1)C(=O)C1CC1)[*:1]
CCCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 CCCC(=O)N[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCCC1)[*:1]
CCCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 CCC[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCCC1)NC(=O)[*:1]
CCCn1ncc(C(=O)NCc2nc(C3CCCCC3)no2)c1C C1CCC(CC1)[*:1] CCCn1ncc(C(=O)NCc2nc(no2)[*:1])c1C
CCCn1ncc(C(=O)NCc2nc(C3CCCCC3)no2)c1C CCC[*:1] Cc1c(cnn1[*:1])C(=O)NCc1nc(no1)C1CCCCC1
Cn1nccc1CN1CCN(c2cccc(F)c2C#N)CC1 Cn1nccc1C[*:1] N#Cc1c(F)cccc1N1CCN(CC1)[*:1]
Cn1nccc1CN1CCN(c2cccc(F)c2C#N)CC1 Cn1nccc1[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C[*:1]
CCc1nn(C)cc1NC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)c1ccc(cc1)O[*:1]
CCc1nn(C)cc1NC(=O)c1ccc(Oc2ccccc2)cc1 CCc1nn(C)cc1[*:1] O=C(N[*:1])c1ccc(cc1)Oc1ccccc1
CCc1nn(C)cc1NC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CCc1nn(C)cc1NC(=O)c1ccc(cc1)[*:1]
O=C1CCc2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2N1 c1cc2OCOc2cc1[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N1CCN(CC1)C[*:1]
O=C1CCc2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2N1 c1cc2OCOc2cc1C[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N1CCN(CC1)[*:1]
N#C/N=C(\[N-]c1ccc(F)cc1)SCc1ccccc1 c1ccc(cc1)[*:1] N#C/N=C(\[N-]c1ccc(F)cc1)SC[*:1]
Cc1ccc([C@](C)(O)CNC(=O)NCC2(c3ccc(F)cc3)CCC2)o1 Fc1ccc(cc1)[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)NCC1(CCC1)[*:1]
Cc1ccc([C@](C)(O)CNC(=O)NCC2(c3ccc(F)cc3)CCC2)o1 Cc1ccc(o1)[*:1] C[C@](O)(CNC(=O)NCC1(CCC1)c1ccc(F)cc1)[*:1]
CCn1nc(C)c(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1C c1csc(n1)[*:1] CCn1nc(C)c(NC(=O)N2CCC[C@@H](C2)[*:1])c1C
CCCCc1nc(-c2ccc(OC(=O)[C@H]3CCO[C@H]3C)cc2)no1 CCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)Oc1ccc(cc1)-c1noc(C[*:1])n1
CCCCc1nc(-c2ccc(OC(=O)[C@H]3CCO[C@H]3C)cc2)no1 CCCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)Oc1ccc(cc1)-c1noc(n1)[*:1]
CN(CC(C)(C)O)C(=O)[C@H]([NH3+])Cc1ccccc1 CC(C)(O)[*:1] CN(C[*:1])C(=O)[C@H]([NH3+])Cc1ccccc1
CN(CC(C)(C)O)C(=O)[C@H]([NH3+])Cc1ccccc1 c1ccc(cc1)[*:1] CN(CC(C)(C)O)C(=O)[C@H]([NH3+])C[*:1]
CN(CC(C)(C)O)C(=O)[C@H]([NH3+])Cc1ccccc1 CC(C)(O)C[*:1] CN(C(=O)[C@H]([NH3+])Cc1ccccc1)[*:1]
CC[C@@H](C)CN(CC)C(=O)c1cc(N)ccn1 CC[C@@H](C)[*:1] CCN(C[*:1])C(=O)c1cc(N)ccn1
CC[C@@H](C)CN(CC)C(=O)c1cc(N)ccn1 CC[C@@H](C)C[*:1] CCN(C(=O)c1cc(N)ccn1)[*:1]
C=C(Cl)CS[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 C=C(Cl)C[*:1] C[C@@H](S[*:1])c1nc2scc(-c3ccco3)c2c(=O)[nH]1
C=C(Cl)CS[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 C=C(Cl)[*:1] C[C@@H](SC[*:1])c1nc2scc(-c3ccco3)c2c(=O)[nH]1
C=C(Cl)CS[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 c1coc(c1)[*:1] C=C(Cl)CS[C@H](C)c1nc2scc(c2c(=O)[nH]1)[*:1]
C=C(Cl)CS[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 C=C(Cl)CS[*:1] C[C@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)[*:1]
Cc1ccc(NC(=O)N(C)Cc2ncnn2C)cc1OCCC(C)C CC(C)CCO[*:1] Cc1ccc(cc1[*:1])NC(=O)N(C)Cc1ncnn1C
Cc1ccc(NC(=O)N(C)Cc2ncnn2C)cc1OCCC(C)C Cn1ncnc1[*:1] Cc1ccc(cc1OCCC(C)C)NC(=O)N(C)C[*:1]
Cc1ccc(NC(=O)N(C)Cc2ncnn2C)cc1OCCC(C)C Cn1ncnc1C[*:1] Cc1ccc(cc1OCCC(C)C)NC(=O)N(C)[*:1]
Cc1ccc(NC(=O)N(C)Cc2ncnn2C)cc1OCCC(C)C CC(C)CC[*:1] Cc1ccc(cc1O[*:1])NC(=O)N(C)Cc1ncnn1C
Cc1ccc(NC(=O)N(C)Cc2ncnn2C)cc1OCCC(C)C CC(C)C[*:1] Cc1ccc(cc1OC[*:1])NC(=O)N(C)Cc1ncnn1C
Cc1ccc(NC(=O)N(C)Cc2ncnn2C)cc1OCCC(C)C CC(C)[*:1] Cc1ccc(cc1OCC[*:1])NC(=O)N(C)Cc1ncnn1C
CCc1ccc(C(=O)Oc2cccc(C(C)=O)c2)o1 CC(=O)[*:1] CCc1ccc(o1)C(=O)Oc1cccc(c1)[*:1]
C[C@@H]1CN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C(C)(C)CO1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)c2ccn(n2)[*:1])C(C)(C)CO1
C[C@H]1C[C@@H]([NH2+]CC(C)(C)O)CS1 CC(C)(O)[*:1] C[C@H]1C[C@H](CS1)[NH2+]C[*:1]
C=C(C)[C@@H]1CC=C(CN2C[C@H](NC(=O)c3cc(C)nc4ccccc34)C[C@H]2C(=O)OC)CC1 C=C(C)[*:1] COC(=O)[C@@H]1C[C@H](CN1CC1=CC[C@H](CC1)[*:1])NC(=O)c1cc(C)nc2ccccc12
C=C(C)[C@@H]1CC=C(CN2C[C@H](NC(=O)c3cc(C)nc4ccccc34)C[C@H]2C(=O)OC)CC1 Cc1cc(c2ccccc2n1)[*:1] C=C(C)[C@@H]1CC=C(CC1)CN1C[C@@H](C[C@H]1C(=O)OC)NC(=O)[*:1]
C=C(C)[C@@H]1CC=C(CN2C[C@H](NC(=O)c3cc(C)nc4ccccc34)C[C@H]2C(=O)OC)CC1 COC(=O)[*:1] C=C(C)[C@@H]1CC=C(CC1)CN1C[C@@H](C[C@@H]1[*:1])NC(=O)c1cc(C)nc2ccccc12
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(cc1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)Nc1ccc(cc1)NC(=O)C(C)C)[*:1]
C#CCOc1ccccc1CN[C@H](C)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] C#CCOc1ccccc1CN[C@H](C)c1nc(cs1)[*:1]
C#CCOc1ccccc1CN[C@H](C)c1nc(-c2ccncc2)cs1 C#CCO[*:1] C[C@@H](NCc1ccccc1[*:1])c1nc(cs1)-c1ccncc1
C#CCOc1ccccc1CN[C@H](C)c1nc(-c2ccncc2)cs1 C#CC[*:1] C[C@@H](NCc1ccccc1O[*:1])c1nc(cs1)-c1ccncc1
O=C(c1ccc(Cl)s1)N1CCCSC[C@H]1C[NH+]1CCCC1 Clc1ccc(s1)[*:1] O=C(N1CCCSC[C@H]1C[NH+]1CCCC1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCCc1cc(Br)ccc1F CC[C@H](C)[*:1] C[C@H](NC(=O)NCCc1cc(Br)ccc1F)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCCc1cc(Br)ccc1F CC[C@H](C)NC(=O)[*:1] C[C@H](NC(=O)NCCc1cc(Br)ccc1F)[*:1]
COC(=O)[C@@H](c1ccc(F)cc1)N1CC[NH+](CCCO)CC1 COC(=O)[*:1] OCCC[NH+]1CCN(CC1)[C@H](c1ccc(F)cc1)[*:1]
COC(=O)[C@@H](c1ccc(F)cc1)N1CC[NH+](CCCO)CC1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H](N1CC[NH+](CCCO)CC1)[*:1]
COC(=O)[C@@H](c1ccc(F)cc1)N1CC[NH+](CCCO)CC1 OCCC[*:1] COC(=O)[C@@H](c1ccc(F)cc1)N1CC[NH+](CC1)[*:1]
COC(=O)[C@@H](c1ccc(F)cc1)N1CC[NH+](CCCO)CC1 OCC[*:1] COC(=O)[C@@H](c1ccc(F)cc1)N1CC[NH+](CC1)C[*:1]
O=C(NCc1ccc(F)cc1)[C@@H]1CCC(=O)N1Cc1cccs1 c1csc(c1)C[*:1] O=C(NCc1ccc(F)cc1)[C@@H]1CCC(=O)N1[*:1]
O=C(NCc1ccc(F)cc1)[C@@H]1CCC(=O)N1Cc1cccs1 c1csc(c1)[*:1] O=C(NCc1ccc(F)cc1)[C@@H]1CCC(=O)N1C[*:1]
O=C(NCc1ccc(F)cc1)[C@@H]1CCC(=O)N1Cc1cccs1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CCC(=O)N1Cc1cccs1
CCOC(=O)[C@@H]1[C@H](CC)NC(=S)N[C@]1(C)O CCOC(=O)[*:1] CC[C@@H]1NC(=S)N[C@](C)(O)[C@@H]1[*:1]
CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccncc1 Clc1cccc(c1Cl)[*:1] CCn1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cccc(Cl)c1Cl
Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(Br)c(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ccc1Br)NC(=O)CS(=O)(=O)[*:1]
CCC[C@H](NC(=O)C(C)(C)c1ccc(Cl)cc1)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)C(C)(C)c1ccc(Cl)cc1)[*:1]
CCC[C@H](NC(=O)C(C)(C)c1ccc(Cl)cc1)C(=O)OC Clc1ccc(cc1)[*:1] CCC[C@H](NC(=O)C(C)(C)[*:1])C(=O)OC
CCC[C@H](NC(=O)C(C)(C)c1ccc(Cl)cc1)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)C(C)(C)c1ccc(Cl)cc1)[*:1]
CCCOc1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)cn1 CCCO[*:1] O=C(NCc1ccc(nc1)[*:1])c1c[nH]c2ccccc2c1=O
CCCOc1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)cn1 CCC[*:1] O=C(NCc1ccc(nc1)O[*:1])c1c[nH]c2ccccc2c1=O
CC(C)CC(=O)Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1 CC(C)[*:1] O=C(C[*:1])Nc1ccc(cc1)OCc1cc(=O)n2ccccc2n1
CC(C)CC(=O)Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)OCc1cc(=O)n2ccccc2n1)[*:1]
CC(C)CC(=O)Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1 CC(C)CC(=O)N[*:1] O=c1cc(COc2ccc(cc2)[*:1])nc2ccccn12
CCCCSc1ccccc1 CCC[*:1] c1ccc(cc1)SC[*:1]
CCc1c(C)c2ccc(NC(=O)CCCBr)cc2[nH]c1=O BrCC[*:1] CCc1c(C)c2ccc(cc2[nH]c1=O)NC(=O)C[*:1]
CCc1c(C)c2ccc(NC(=O)CCCBr)cc2[nH]c1=O BrCCC[*:1] CCc1c(C)c2ccc(cc2[nH]c1=O)NC(=O)[*:1]
CCc1c(C)c2ccc(NC(=O)CCCBr)cc2[nH]c1=O O=C(CCCBr)N[*:1] CCc1c(C)c2ccc(cc2[nH]c1=O)[*:1]
CCc1nn(C)cc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)NC1CC[NH+](CC1)C[*:1]
CCc1nn(C)cc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 CCc1nn(C)cc1[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(Cl)cc1)[*:1]
CCc1nn(C)cc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] CCc1nn(C)cc1C(=O)NC1CC[NH+](CC1)[*:1]
COc1ccc2c(c1)N(C(=O)c1cnc(Cc3ccccc3)s1)CCO2 c1ccc(cc1)[*:1] COc1ccc2OCCN(C(=O)c3cnc(C[*:1])s3)c2c1
COc1ccc2c(c1)N(C(=O)c1cnc(Cc3ccccc3)s1)CCO2 c1ccc(cc1)C[*:1] COc1ccc2OCCN(C(=O)c3cnc(s3)[*:1])c2c1
Cn1ccnc1[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)COc1ccc2ccccc2c1)[*:1]
Cn1ccnc1[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(F)cc1 Cn1ccnc1[*:1] O=C(COc1ccc2ccccc2c1)N[C@H](c1ccc(F)cc1)[*:1]
O=C(Cn1cccn1)NCC[C@@H]1C[C@H]2C=C[C@@H]1C2 c1cnn(c1)C[*:1] O=C(NCC[C@@H]1C[C@H]2C=C[C@@H]1C2)[*:1]
O=C(Cn1cccn1)NCC[C@@H]1C[C@H]2C=C[C@@H]1C2 c1cnn(c1)[*:1] O=C(C[*:1])NCC[C@@H]1C[C@H]2C=C[C@@H]1C2
COC(=O)C1=CN(Cc2ccccc2Cl)C=C(C(=O)OC)C1c1cccs1 COC(=O)[*:1] COC(=O)C1=CN(C=C(C1c1cccs1)[*:1])Cc1ccccc1Cl
COC(=O)C1=CN(Cc2ccccc2Cl)C=C(C(=O)OC)C1c1cccs1 c1csc(c1)[*:1] COC(=O)C1=CN(C=C(C(=O)OC)C1[*:1])Cc1ccccc1Cl
COC(=O)C1=CN(Cc2ccccc2Cl)C=C(C(=O)OC)C1c1cccs1 Clc1ccccc1C[*:1] COC(=O)C1=CN(C=C(C(=O)OC)C1c1cccs1)[*:1]
COC(=O)C1=CN(Cc2ccccc2Cl)C=C(C(=O)OC)C1c1cccs1 Clc1ccccc1[*:1] COC(=O)C1=CN(C=C(C(=O)OC)C1c1cccs1)C[*:1]
Cc1cccnc1C[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccoc2C)cc1 Cc1occc1C(=O)N[*:1] Cc1cccnc1C[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
Cc1cccnc1C[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccoc2C)cc1 Cc1cccnc1C[*:1] Cc1occc1C(=O)Nc1ccc(cc1)C(=O)N[C@H](C)[*:1]
Cc1cccnc1C[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccoc2C)cc1 Cc1occc1[*:1] Cc1cccnc1C[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1cccnc1C[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccoc2C)cc1 Cc1cccnc1[*:1] Cc1occc1C(=O)Nc1ccc(cc1)C(=O)N[C@H](C)C[*:1]
COCCOCC(=O)Nc1ccc(-n2cncn2)nc1 c1ncn(n1)[*:1] COCCOCC(=O)Nc1ccc(nc1)[*:1]
COCCOCC(=O)Nc1ccc(-n2cncn2)nc1 COC[*:1] O=C(COC[*:1])Nc1ccc(nc1)-n1cncn1
COCCOCC(=O)Nc1ccc(-n2cncn2)nc1 COCCOC[*:1] O=C(Nc1ccc(nc1)-n1cncn1)[*:1]
COCCOCC(=O)Nc1ccc(-n2cncn2)nc1 COCC[*:1] O=C(CO[*:1])Nc1ccc(nc1)-n1cncn1
COCCOCC(=O)Nc1ccc(-n2cncn2)nc1 COCCO[*:1] O=C(C[*:1])Nc1ccc(nc1)-n1cncn1
CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2 CC(C)[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2OCCOc2c1)[*:1]
COC(=O)c1sccc1CSc1nnc2cc(C)nc(C)n12 COC(=O)[*:1] Cc1cc2nnc(SCc3ccsc3[*:1])n2c(C)n1
CCOC(=O)[C@@H](CC)SC1=NC(=O)C2=CN=NC2=N1 CCOC(=O)[*:1] CC[C@@H](SC1=NC(=O)C2=CN=NC2=N1)[*:1]
CCOc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1OC CCO[*:1] COc1cc(ccc1[*:1])NC(=O)c1nn(C)c(=O)c2ccccc12
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)c1C c1csc(c1)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1ccc2CCN(Cc2c1)C(=O)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)c1C Cc1cc(C)c(C)c(c1C)[*:1] O=C(c1cccs1)N1CCc2ccc(cc2C1)NS(=O)(=O)[*:1]
C[NH2+][C@H](COC(C)C)[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] C[NH2+][C@H](COC(C)C)[C@@H]1CN(CCO1)[*:1]
C[NH2+][C@H](COC(C)C)[C@@H]1CN(C(C)C)CCO1 CC(C)OC[*:1] C[NH2+][C@H]([C@@H]1CN(CCO1)C(C)C)[*:1]
C[NH2+][C@H](COC(C)C)[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] C[NH2+][C@H](CO[*:1])[C@@H]1CN(CCO1)C(C)C
C[NH2+][C@H](COC(C)C)[C@@H]1CN(C(C)C)CCO1 CC(C)O[*:1] C[NH2+][C@H](C[*:1])[C@@H]1CN(CCO1)C(C)C
C[C@](O)(CNS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNS(=O)(=O)Cc1cccc(Cl)c1)[*:1]
C[C@](O)(CNS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 Clc1cccc(c1)[*:1] C[C@](O)(CNS(=O)(=O)C[*:1])c1ccccc1
Cc1nnc(-c2cc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c[nH]2)o1 Cc1ccc(Cl)cc1[*:1] Cc1nnc(o1)-c1cc(c[nH]1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1nnc(-c2cc(S(=O)(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c[nH]2)o1 Cc1nnc(o1)[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)c1c[nH]c(c1)[*:1]
C=CCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCN(C(C)=O)CC1 C=CCNC(=O)[*:1] COc1cn(C[*:1])c(cc1=O)CN1CCN(CC1)C(C)=O
C=CCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCN(C(C)=O)CC1 C=CCNC(=O)C[*:1] COc1cn(c(cc1=O)CN1CCN(CC1)C(C)=O)[*:1]
C=CCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCN(C(C)=O)CC1 C=CC[*:1] COc1cn(CC(=O)N[*:1])c(cc1=O)CN1CCN(CC1)C(C)=O
COc1ccccc1[C@H](CNC(=O)N1CCOC(C)(C)C1)[NH+]1CCCC1 COc1ccccc1[*:1] CC1(C)CN(CCO1)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CNc1snc(C)c1C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 CNc1snc(C)c1[*:1] O=C(N1CCCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
CNc1snc(C)c1C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] CNc1snc(C)c1C(=O)N1CCCN(CC1)c1ccc(cn1)[*:1]
CCn1cc(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)ccc1=O CC(C)(C)[*:1] CCn1cc(ccc1=O)NC(=O)[C@H]1CSCN1C(=O)C[*:1]
CCn1cc(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)ccc1=O CC(C)(C)C[*:1] CCn1cc(ccc1=O)NC(=O)[C@H]1CSCN1C(=O)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)CCc1ccccn1 c1ccc(nc1)[*:1] CC[C@H](C)NC(=O)[C@H](C)NC(=O)CC[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)CCc1ccccn1 CC[C@H](C)[*:1] C[C@H](NC(=O)CCc1ccccn1)C(=O)N[*:1]
CCOC(=O)Nc1cccc(C(=O)N2CCCc3cc(OC)ccc32)c1 CCOC(=O)N[*:1] COc1ccc2c(c1)CCCN2C(=O)c1cccc(c1)[*:1]
CC[C@]1(C)N=C(SCC(=O)Nc2ccc(Br)cc2)C(c2ccccc2)=N1 c1ccc(cc1)[*:1] CC[C@]1(C)N=C(SCC(=O)Nc2ccc(Br)cc2)C(=N1)[*:1]
CC[C@]1(C)N=C(SCC(=O)Nc2ccc(Br)cc2)C(c2ccccc2)=N1 Brc1ccc(cc1)[*:1] CC[C@]1(C)N=C(SCC(=O)N[*:1])C(=N1)c1ccccc1
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccnn2C2CCCC2)cc1C Cc1ccc(cc1C)[*:1] O=C(CSc1nnnn1[*:1])Nc1ccnn1C1CCCC1
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccnn2C2CCCC2)cc1C C1CCC(C1)[*:1] Cc1ccc(cc1C)-n1nnnc1SCC(=O)Nc1ccnn1[*:1]
Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4cc(Cl)ccc4C)C3)s2)cc1 Cc1ccc(Cl)cc1[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)[C@@H]1CCCN(C1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4cc(Cl)ccc4C)C3)s2)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H](C1)c1nnc(s1)[*:1]
Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4cc(Cl)ccc4C)C3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H](C1)c1nnc(s1)C(=O)N[*:1]
COc1ccc2c(c1)[C@H]([NH3+])[C@@H]([S@@](=O)CCS(C)(=O)=O)C2 CS(=O)(=O)CC[*:1] COc1ccc2C[C@@H]([C@@H]([NH3+])c2c1)[S@@](=O)[*:1]
COc1ccc2c(c1)[C@H]([NH3+])[C@@H]([S@@](=O)CCS(C)(=O)=O)C2 CS(=O)(=O)[*:1] COc1ccc2C[C@@H]([C@@H]([NH3+])c2c1)[S@@](=O)CC[*:1]
COc1ccc2c(c1)[C@H]([NH3+])[C@@H]([S@@](=O)CCS(C)(=O)=O)C2 CS(=O)(=O)C[*:1] COc1ccc2C[C@@H]([C@@H]([NH3+])c2c1)[S@@](=O)C[*:1]
COc1ccc(-n2nc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1nn(c(=O)c2ccccc12)[*:1]
COc1ccc(-n2nc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3c2=O)cc1 FC(F)(F)c1cccc(c1)[*:1] COc1ccc(cc1)-n1nc(C(=O)N[*:1])c2ccccc2c1=O
COc1ccc(-n2nc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3c2=O)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-n1nc(C(=O)Nc2cccc(c2)[*:1])c2ccccc2c1=O
COc1cccc(-c2noc(CN(C)Cc3ccc(C#N)cc3)n2)c1 COc1cccc(c1)[*:1] CN(Cc1ccc(C#N)cc1)Cc1nc(no1)[*:1]
COc1cccc(-c2noc(CN(C)Cc3ccc(C#N)cc3)n2)c1 N#Cc1ccc(cc1)[*:1] COc1cccc(c1)-c1noc(CN(C)C[*:1])n1
COC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N(C)[C@@]1(O)C(F)(F)Cl c1ccc(cc1)[*:1] COC(=O)[C@@H]1[C@H](NC(=O)N(C)[C@@]1(O)C(F)(F)Cl)[*:1]
COC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N(C)[C@@]1(O)C(F)(F)Cl COC(=O)[*:1] CN1C(=O)N[C@@H](c2ccccc2)[C@H]([C@]1(O)C(F)(F)Cl)[*:1]
COC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N(C)[C@@]1(O)C(F)(F)Cl FC(F)(Cl)[*:1] COC(=O)[C@@H]1[C@@H](NC(=O)N(C)[C@]1(O)[*:1])c1ccccc1
CCN(Cc1ccc(I)cc1)C(F)(F)F FC(F)(F)[*:1] CCN(Cc1ccc(I)cc1)[*:1]
CCOC(=O)c1cccc(N2C(=O)CC(C)(C)CC2=O)c1 CCOC(=O)[*:1] CC1(C)CC(=O)N(C(=O)C1)c1cccc(c1)[*:1]
Cc1ccc(C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)cc1C Cc1ccc(cc1C)[*:1] O=C(NCCc1csc2nc(nn12)-c1ccc(F)cc1)[*:1]
Cc1ccc(C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)NCCc1csc2nc(nn12)[*:1]
Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](C)CCO)c1 OCC[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)NC[C@H](C)[*:1]
Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](C)CCO)c1 C[C@H](CCO)[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)NC[*:1]
Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](C)CCO)c1 C[C@H](CCO)C[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)N[*:1]
C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@@H](CN(Cc3cccc(C#N)c3)C1)C2 CC=C[*:1] N#Cc1cccc(c1)CN1C[C@@H]2C[C@H](C1)c1c(ccc(=O)n1C2)[*:1]
C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@@H](CN(Cc3cccc(C#N)c3)C1)C2 N#Cc1cccc(c1)[*:1] C/C=C/c1ccc(=O)n2C[C@H]3C[C@H](CN(C3)C[*:1])c12
CSc1ccc(Cl)c(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1 CN(C)C(=O)[*:1] CSc1ccc(Cl)c(c1)C(=O)Nc1cc(ccc1Cl)[*:1]
CCC[C@@H](O)CC[C@@H](O)CC CCC[*:1] CC[C@H](O)CC[C@H](O)[*:1]
C[C@H]([NH2+][C@H](C)[C@H](C)CO)c1ccccc1N(C)C CN(C)[*:1] C[C@H]([NH2+][C@H](C)[C@H](C)CO)c1ccccc1[*:1]
C[C@H]([NH2+][C@H](C)[C@H](C)CO)c1ccccc1N(C)C C[C@H](CO)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1ccccc1N(C)C
CCC(=O)c1ccn(C[C@@H]2OCCc3ccccc32)c1 CCC(=O)[*:1] c1ccc2c(c1)CCO[C@H]2Cn1ccc(c1)[*:1]
C[C@H](O)CN(C)C(=O)NCc1ccc(O)c(F)c1 C[C@H](O)[*:1] CN(C[*:1])C(=O)NCc1ccc(O)c(F)c1
C[C@H](O)CN(C)C(=O)NCc1ccc(O)c(F)c1 C[C@H](O)C[*:1] CN(C(=O)NCc1ccc(O)c(F)c1)[*:1]
Cc1ccc(/C=C/c2onc(C)c2S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4ccccc43)C2)cc1 O=C(N1CCc2ccccc21)[*:1] Cc1ccc(/C=C/c2onc(C)c2S(=O)(=O)N2CCC[C@H](C2)[*:1])cc1
Cc1ccc(/C=C/c2onc(C)c2S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4ccccc43)C2)cc1 Cc1ccc(cc1)[*:1] Cc1noc(C=C[*:1])c1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N1CCc2ccccc21
Cc1ccc(/C=C/c2onc(C)c2S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4ccccc43)C2)cc1 Cc1ccc(C=C[*:1])cc1 Cc1noc(c1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N1CCc2ccccc21)[*:1]
CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C(C)C)n(C)n1 CC(C)[*:1] CC[C@H]1CCCC[C@H]1NC(=O)c1cc(n(C)n1)[*:1]
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)N[*:1]
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC2 Fc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1C[C@@H]1CCCO1)[*:1])C(=O)Nc1ccc2CCCc2c1
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC2 C1CO[C@@H](C1)C[*:1] C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1[*:1])C(=O)Nc1ccc2CCCc2c1
FC(F)Cn1cc(NCC2CC2)cn1 C1CC1C[*:1] FC(F)Cn1cc(cn1)N[*:1]
FC(F)Cn1cc(NCC2CC2)cn1 C1CC1[*:1] FC(F)Cn1cc(cn1)NC[*:1]
FC(F)Cn1cc(NCC2CC2)cn1 FC(F)[*:1] c1nn(cc1NCC1CC1)C[*:1]
FC(F)Cn1cc(NCC2CC2)cn1 FC(F)C[*:1] c1nn(cc1NCC1CC1)[*:1]
O=C(Cn1cnnn1)N[C@@H](Cc1ccccc1)C1CC1 c1nnnn1C[*:1] O=C(N[C@@H](Cc1ccccc1)C1CC1)[*:1]
O=C(Cn1cnnn1)N[C@@H](Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(Cn1cnnn1)N[C@@H](Cc1ccccc1)[*:1]
O=C(Cn1cnnn1)N[C@@H](Cc1ccccc1)C1CC1 c1nnnn1[*:1] O=C(C[*:1])N[C@@H](Cc1ccccc1)C1CC1
O=C(Cn1cnnn1)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(Cn1cnnn1)N[C@@H](C[*:1])C1CC1
CCC[NH2+][C@@H](C)c1cccc(O[C@@H]2CCCCNC2=O)c1 CCC[*:1] C[C@H]([NH2+][*:1])c1cccc(c1)O[C@@H]1CCCCNC1=O
[NH3+]C[C@@H](Cc1ccsc1)c1cccc(Br)c1 c1cc(cs1)[*:1] [NH3+]C[C@@H](C[*:1])c1cccc(Br)c1
CCCCOC(=O)c1cccc([N+](=O)[O-])c1C CCC[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)OC[*:1]
CCCCOC(=O)c1cccc([N+](=O)[O-])c1C CCCC[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)O[*:1]
CCCCOC(=O)c1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CCCCOC(=O)c1cccc(c1C)[*:1]
Cc1ccc2ncc(C(=O)N3CCC[C@@H]3c3ccccc3)n2c1 c1ccc(cc1)[*:1] Cc1ccc2ncc(C(=O)N3CCC[C@H]3[*:1])n2c1
Cc1cc(NS(=O)(=O)c2ccccc2)c(OS(=O)(=O)c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1cc(NS(=O)(=O)c2ccccc2)c(cc1C)OS(=O)(=O)[*:1]
Cc1cc(NS(=O)(=O)c2ccccc2)c(OS(=O)(=O)c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1cc(NS(=O)(=O)[*:1])c(cc1C)OS(=O)(=O)c1ccccc1
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC([NH+](C)C)CC1 CC[C@H](C)[*:1] C[NH+](C)C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
CC[C@H](C)[NH2+]CC[C@@H]1CSCCN1 CC[C@H](C)[*:1] C1CSC[C@@H](CC[NH2+][*:1])N1
CCOC(=O)C1=C(C)N=C2C[C@@H](C)[C@H](C(=O)OC)C(=O)[C@@H]2[C@H]1c1ccc(O)cc1 CCOC(=O)[*:1] COC(=O)[C@@H]1C(=O)[C@H]2C(C[C@H]1C)=NC(C)=C([C@@H]2c1ccc(O)cc1)[*:1]
CCOC(=O)C1=C(C)N=C2C[C@@H](C)[C@H](C(=O)OC)C(=O)[C@@H]2[C@H]1c1ccc(O)cc1 COC(=O)[*:1] CCOC(=O)C1=C(C)N=C2C[C@@H](C)[C@H](C(=O)[C@@H]2[C@H]1c1ccc(O)cc1)[*:1]
CCOC(=O)C1=C(C)N=C2C[C@@H](C)[C@H](C(=O)OC)C(=O)[C@@H]2[C@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N=C2C[C@@H](C)[C@H](C(=O)OC)C(=O)[C@@H]2[C@@H]1[*:1]
C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cnc(-c3ccccc3)s2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2cnc(s2)[*:1])C1=O)C1CC1
C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cnc(-c3ccccc3)s2)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2cnc(s2)-c2ccccc2)C1=O)[*:1]
CC(C)(C)NC(=O)CNC(=O)CSc1nncc2ccccc12 CC(C)(C)[*:1] O=C(CSc1nncc2ccccc12)NCC(=O)N[*:1]
CC(C)(C)NC(=O)CNC(=O)CSc1nncc2ccccc12 CC(C)(C)NC(=O)[*:1] O=C(CSc1nncc2ccccc12)NC[*:1]
COc1ccc2c(CN(CCO)Cc3ccccc3)cc(=O)oc2c1 OCC[*:1] COc1ccc2c(cc(=O)oc2c1)CN(Cc1ccccc1)[*:1]
COc1ccc2c(CN(CCO)Cc3ccccc3)cc(=O)oc2c1 c1ccc(cc1)C[*:1] COc1ccc2c(cc(=O)oc2c1)CN(CCO)[*:1]
COc1ccc2c(CN(CCO)Cc3ccccc3)cc(=O)oc2c1 c1ccc(cc1)[*:1] COc1ccc2c(cc(=O)oc2c1)CN(CCO)C[*:1]
O=C(NCC1CCCCC1)C(=O)Nc1cc(Cl)ccc1Cl C1CCC(CC1)C[*:1] O=C(Nc1cc(Cl)ccc1Cl)C(=O)N[*:1]
O=C(NCC1CCCCC1)C(=O)Nc1cc(Cl)ccc1Cl C1CCC(CC1)[*:1] O=C(NC[*:1])C(=O)Nc1cc(Cl)ccc1Cl
COCc1ccc(C(=O)Nc2cc(F)c(OC)cc2OC)o1 COC[*:1] COc1cc(OC)c(cc1F)NC(=O)c1ccc(o1)[*:1]
Cc1cccc(CN2CCN(C(=O)CCC(F)(F)F)[C@H](C)C2=O)c1 FC(F)(F)CC[*:1] Cc1cccc(c1)CN1CCN(C(=O)[*:1])[C@H](C)C1=O
Cc1cccc(CN2CCN(C(=O)CCC(F)(F)F)[C@H](C)C2=O)c1 Cc1cccc(c1)C[*:1] C[C@@H]1C(=O)N(CCN1C(=O)CCC(F)(F)F)[*:1]
Cc1cccc(CN2CCN(C(=O)CCC(F)(F)F)[C@H](C)C2=O)c1 FC(F)(F)C[*:1] Cc1cccc(c1)CN1CCN(C(=O)C[*:1])[C@H](C)C1=O
Cc1cccc(CN2CCN(C(=O)CCC(F)(F)F)[C@H](C)C2=O)c1 Cc1cccc(c1)[*:1] C[C@@H]1C(=O)N(CCN1C(=O)CCC(F)(F)F)C[*:1]
Cc1cccc(CN2CCN(C(=O)CCC(F)(F)F)[C@H](C)C2=O)c1 FC(F)(F)[*:1] Cc1cccc(c1)CN1CCN(C(=O)CC[*:1])[C@H](C)C1=O
CN(CCc1ccccc1)C(=O)NCc1ccccc1Cl c1ccc(cc1)C[*:1] CN(C[*:1])C(=O)NCc1ccccc1Cl
CN(CCc1ccccc1)C(=O)NCc1ccccc1Cl c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)NCc1ccccc1Cl
CN(CCc1ccccc1)C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] CN(CCc1ccccc1)C(=O)NC[*:1]
Cc1ccc(C(=O)NCC(C)(C)c2ccncc2)c(Br)c1 c1cc(ccn1)[*:1] Cc1ccc(C(=O)NCC(C)(C)[*:1])c(Br)c1
CC[C@@H](CCO)CNC(=O)Nc1ccc(Br)nc1C CC[C@@H](CCO)[*:1] Cc1nc(Br)ccc1NC(=O)NC[*:1]
CC[C@@H](CCO)CNC(=O)Nc1ccc(Br)nc1C OCC[*:1] CC[C@@H](CNC(=O)Nc1ccc(Br)nc1C)[*:1]
C[C@H](NC(=O)N(C)CCc1ccccn1)c1ccc(F)c(F)c1 c1ccc(C[*:1])nc1 C[C@H](NC(=O)N(C)C[*:1])c1ccc(F)c(F)c1
C[C@H](NC(=O)N(C)CCc1ccccn1)c1ccc(F)c(F)c1 c1ccc(nc1)[*:1] C[C@H](NC(=O)N(C)CC[*:1])c1ccc(F)c(F)c1
CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccc[nH]2)CC1 CC(C)(C)[*:1] O=C(Cc1ccc[nH]1)N1CCC[C@@H](CC1)[*:1]
CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)C[*:1] CC(C)(C)[C@H]1CCCN(CC1)C(=O)[*:1]
CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)[*:1] CC(C)(C)[C@H]1CCCN(CC1)C(=O)C[*:1]
c1ccc(Oc2cccc([C@@H]3CCC[NH2+]3)c2)cc1 c1ccc(cc1)[*:1] c1cc(cc(c1)[C@@H]1CCC[NH2+]1)O[*:1]
N#C[C@H](C(=O)c1ccc(I)cc1)c1nc2ccccc2s1 Ic1ccc(cc1)[*:1] N#C[C@H](C(=O)[*:1])c1nc2ccccc2s1
Cc1ccc(C(N)=O)cc1OCCC(C)C CC(C)[*:1] Cc1ccc(cc1OCC[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1OCCC(C)C NC(=O)[*:1] Cc1ccc(cc1OCCC(C)C)[*:1]
Cc1ccc(C(N)=O)cc1OCCC(C)C CC(C)C[*:1] Cc1ccc(cc1OC[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1OCCC(C)C CC(C)CC[*:1] Cc1ccc(cc1O[*:1])C(N)=O
C[C@@H](c1ccccn1)N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 c1ccc(nc1)[*:1] C[C@@H](N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1)[*:1]
CC(C)/C(=C\c1ccsc1)C[NH2+]C1CC1 c1cc(cs1)[*:1] CC(C)C(=C[*:1])C[NH2+]C1CC1
CC(C)/C(=C\c1ccsc1)C[NH2+]C1CC1 C1CC1[*:1] CC(C)/C(=C\c1ccsc1)C[NH2+][*:1]
CC(C)/C(=C\c1ccsc1)C[NH2+]C1CC1 CC(C)[*:1] C(=C(/C[NH2+]C1CC1)[*:1])\c1ccsc1
COC(=O)c1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 O=c1cc(nc2ccccn12)[*:1] COC(=O)c1ccccc1NC(=O)Nc1cccc(c1)OC[*:1]
COC(=O)c1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 COC(=O)c1ccccc1[*:1] O=C(Nc1cccc(c1)OCc1cc(=O)n2ccccc2n1)N[*:1]
COC(=O)c1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)OCc1cc(=O)n2ccccc2n1)Nc1ccccc1[*:1]
CC(C)n1ncc2cc(/C=C/C(=O)N3CCC[C@@H](C)CC3)c(=O)[nH]c21 CC(C)[*:1] C[C@@H]1CCCN(CC1)C(=O)/C=C/c1cc2cnn(c2[nH]c1=O)[*:1]
CC(C)NC(=O)c1sc(=S)n2c1nc([O-])c1ccc(C(=O)NCCCN3CCCC3=O)cc12 O=C1CCCN1C[*:1] CC(C)NC(=O)c1sc(=S)n2c1nc([O-])c1ccc(cc12)C(=O)NCC[*:1]
CC(C)NC(=O)c1sc(=S)n2c1nc([O-])c1ccc(C(=O)NCCCN3CCCC3=O)cc12 CC(C)[*:1] O=C(NCCCN1CCCC1=O)c1ccc2c([O-])nc3c(sc(=S)n3c2c1)C(=O)N[*:1]
CC(C)NC(=O)c1sc(=S)n2c1nc([O-])c1ccc(C(=O)NCCCN3CCCC3=O)cc12 O=C1CCCN1CCC[*:1] CC(C)NC(=O)c1sc(=S)n2c1nc([O-])c1ccc(cc12)C(=O)N[*:1]
CC(C)NC(=O)c1sc(=S)n2c1nc([O-])c1ccc(C(=O)NCCCN3CCCC3=O)cc12 CC(C)NC(=O)[*:1] O=C(NCCCN1CCCC1=O)c1ccc2c([O-])nc3c(sc(=S)n3c2c1)[*:1]
CC(C)NC(=O)c1sc(=S)n2c1nc([O-])c1ccc(C(=O)NCCCN3CCCC3=O)cc12 O=C1CCCN1CC[*:1] CC(C)NC(=O)c1sc(=S)n2c1nc([O-])c1ccc(cc12)C(=O)NC[*:1]
CC(C)NC(=O)c1sc(=S)n2c1nc([O-])c1ccc(C(=O)NCCCN3CCCC3=O)cc12 O=C1CCCN1[*:1] CC(C)NC(=O)c1sc(=S)n2c1nc([O-])c1ccc(cc12)C(=O)NCCC[*:1]
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)c1 Clc1ccc(nn1)[*:1] COc1ccc(OC)c(c1)[C@H](C)NC(=O)[C@@H]1CCCN(C1)[*:1]
O=C(c1ccc(OCC(F)F)nc1)N1CCCc2ccccc21 FC(F)CO[*:1] O=C(c1ccc(nc1)[*:1])N1CCCc2ccccc21
O=C(c1ccc(OCC(F)F)nc1)N1CCCc2ccccc21 FC(F)[*:1] O=C(c1ccc(nc1)OC[*:1])N1CCCc2ccccc21
O=C(c1ccc(OCC(F)F)nc1)N1CCCc2ccccc21 FC(F)C[*:1] O=C(c1ccc(nc1)O[*:1])N1CCCc2ccccc21
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[C@H](C)C[C@H]1C CCO[*:1] C[C@H]1CCN(C(=O)Nc2cc(ccc2[*:1])C(=O)N(C)C)[C@H](C)C1
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[C@H](C)C[C@H]1C CN(C)C(=O)[*:1] CCOc1ccc(cc1NC(=O)N1CC[C@H](C)C[C@H]1C)[*:1]
CC1CCN(C(=O)[C@@H](C)N2CC[NH+](Cc3ccon3)CC2)CC1 c1cc(no1)[*:1] CC1CCN(CC1)C(=O)[C@@H](C)N1CC[NH+](CC1)C[*:1]
C[C@@H]1Cc2cc(-c3cc(CC(=O)N4CCOCC4)no3)ccc2O1 O=C(N1CCOCC1)[*:1] C[C@@H]1Cc2cc(ccc2O1)-c1cc(C[*:1])no1
Cc1cc(Br)ccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 Clc1ccccc1[*:1] Cc1cc(Br)ccc1NC(=O)C[C@H](NC(=O)[*:1])c1ccccc1
Cc1cc(Br)ccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 Cc1cc(Br)ccc1[*:1] O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[*:1]
Cc1cc(Br)ccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)CC1(O)CCCC1 OC1(CCCC1)[*:1] C[C@@H](O)CC(C)(C)CNC(=O)C[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)CC1(O)CCCC1 C[C@@H](O)C[*:1] CC(C)(CNC(=O)CC1(O)CCCC1)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)CC1(O)CCCC1 C[C@@H](O)[*:1] CC(C)(CNC(=O)CC1(O)CCCC1)C[*:1]
OC[C@@]1([NH2+]C2CC2)CCC[C@H]1CCSc1cccc(Cl)c1 C1CC1[*:1] OC[C@]1(CCC[C@H]1CCSc1cccc(Cl)c1)[NH2+][*:1]
OC[C@@]1([NH2+]C2CC2)CCC[C@H]1CCSc1cccc(Cl)c1 Clc1cccc(c1)[*:1] OC[C@]1(CCC[C@H]1CCS[*:1])[NH2+]C1CC1
COCCN1CC2=C(C1=O)[C@@H](c1cc(OC)ccc1OC)NC(=O)N2C COCC[*:1] COc1ccc(OC)c(c1)[C@H]1NC(=O)N(C)C2CN(C(=O)C=21)[*:1]
COCCN1CC2=C(C1=O)[C@@H](c1cc(OC)ccc1OC)NC(=O)N2C COC[*:1] COc1ccc(OC)c(c1)[C@H]1NC(=O)N(C)C2CN(C[*:1])C(=O)C=21
COc1ccccc1[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCC1 FC(F)(F)[*:1] COc1ccccc1[C@H](CNC(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
COc1ccccc1[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCC1 COc1ccccc1[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])Nc1ccccc1C(F)(F)F
COc1ccc(S(=O)(=O)N(C)C(=O)[C@@H](C)c2cccc(F)c2)cc1 COc1ccc(cc1)[*:1] C[C@H](C(=O)N(C)S(=O)(=O)[*:1])c1cccc(F)c1
COc1ccc(S(=O)(=O)N(C)C(=O)[C@@H](C)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)C(=O)[C@@H](C)[*:1]
CCC[C@H](C)[C@H]1C[NH+]=C(N)N1C1CCCCCC1 CCC[*:1] C[C@H]([C@H]1C[NH+]=C(N)N1C1CCCCCC1)[*:1]
CCC[C@H](C)[C@H]1C[NH+]=C(N)N1C1CCCCCC1 CCC[C@H](C)[*:1] NC1=[NH+]C[C@@H](N1C1CCCCCC1)[*:1]
O=C(Cc1cccs1)N(CCc1cccs1)Cc1ccco1 c1coc(c1)[*:1] O=C(Cc1cccs1)N(CCc1cccs1)C[*:1]
O=C(Cc1cccs1)N(CCc1cccs1)Cc1ccco1 c1csc(c1)C[*:1] O=C(Cc1cccs1)N(Cc1ccco1)C[*:1]
O=C(Cc1cccs1)N(CCc1cccs1)Cc1ccco1 c1csc(c1)CC[*:1] O=C(Cc1cccs1)N(Cc1ccco1)[*:1]
O=C(Cc1cccs1)N(CCc1cccs1)Cc1ccco1 c1csc(c1)[*:1] O=C(Cc1cccs1)N(CC[*:1])Cc1ccco1
O=C(Cc1cccs1)N(CCc1cccs1)Cc1ccco1 c1csc(c1)[*:1] O=C(C[*:1])N(CCc1cccs1)Cc1ccco1
O=C(Cc1cccs1)N(CCc1cccs1)Cc1ccco1 c1csc(c1)C[*:1] O=C(N(CCc1cccs1)Cc1ccco1)[*:1]
O=C(Cc1cccs1)N(CCc1cccs1)Cc1ccco1 c1coc(c1)C[*:1] O=C(Cc1cccs1)N(CCc1cccs1)[*:1]
CCC[NH2+][C@@H]1CCN(c2cccc(OCC)c2)[C@H](C)[C@@H]1C CCC[*:1] CCOc1cccc(c1)N1CC[C@@H]([NH2+][*:1])[C@@H](C)[C@H]1C
CCC[NH2+][C@@H]1CCN(c2cccc(OCC)c2)[C@H](C)[C@@H]1C CCO[*:1] CCC[NH2+][C@@H]1CCN(c2cccc(c2)[*:1])[C@H](C)[C@@H]1C
CC(C)NC(=O)C[C@@H](C)Nc1ncnc2sccc12 CC(C)[*:1] C[C@H](CC(=O)N[*:1])Nc1ncnc2sccc12
CC(C)NC(=O)C[C@@H](C)Nc1ncnc2sccc12 CC(C)NC(=O)[*:1] C[C@H](C[*:1])Nc1ncnc2sccc12
CC(C)[NH2+]Cc1ccnc(OCC(C)(C)[NH+](C)C)c1 CC(C)[*:1] C[NH+](C)C(C)(C)COc1cc(ccn1)C[NH2+][*:1]
CC(C)[NH2+]Cc1ccnc(OCC(C)(C)[NH+](C)C)c1 CC(C)[NH2+]C[*:1] C[NH+](C)C(C)(C)COc1cc(ccn1)[*:1]
COc1ccc(OC)c(CN2CCOc3c(cc(-c4ccc(C)s4)cc3OC)C2)c1 COc1ccc(OC)c(c1)[*:1] COc1cc(cc2CN(CCOc21)C[*:1])-c1ccc(C)s1
COc1ccc(OC)c(CN2CCOc3c(cc(-c4ccc(C)s4)cc3OC)C2)c1 Cc1ccc(s1)[*:1] COc1ccc(OC)c(c1)CN1CCOc2c(cc(cc2OC)[*:1])C1
CC(C)[C@@H]1C[C@@](O)(c2cscc2Br)CCO1 CC(C)[*:1] O[C@@]1(CCO[C@@H](C1)[*:1])c1cscc1Br
CCc1nncn1CCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 CCc1nncn1[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NCC[*:1]
CCc1nncn1CCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 CC(C)[*:1] CCc1nncn1CCNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCc1nncn1CCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 CCc1nncn1C[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#C/C(=C/c1cc2OCOc2cc1[N+](=O)[O-])S(=O)(=O)[*:1]
N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)S(=O)(=O)c1ccc(Cl)cc1 O=[N+]([O-])[*:1] N#C/C(=C/c1cc2OCOc2cc1[*:1])S(=O)(=O)c1ccc(Cl)cc1
O=C(CCn1cncn1)NCCC1CCN(c2cc[nH+]cc2)CC1 c1ncn(n1)[*:1] O=C(CC[*:1])NCCC1CCN(CC1)c1cc[nH+]cc1
O=C(CCn1cncn1)NCCC1CCN(c2cc[nH+]cc2)CC1 c1ncn(C[*:1])n1 O=C(C[*:1])NCCC1CCN(CC1)c1cc[nH+]cc1
O=C(CCn1cncn1)NCCC1CCN(c2cc[nH+]cc2)CC1 c1ncn(CC[*:1])n1 O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
C[C@H]1c2cc(F)ccc2CCN1Cc1csc(CS(C)(=O)=O)n1 CS(=O)(=O)C[*:1] C[C@H]1c2cc(F)ccc2CCN1Cc1csc(n1)[*:1]
C[C@H]1c2cc(F)ccc2CCN1Cc1csc(CS(C)(=O)=O)n1 CS(=O)(=O)[*:1] C[C@H]1c2cc(F)ccc2CCN1Cc1csc(C[*:1])n1
C[NH+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1noc(-c2ccoc2)n1 c1cc(cc[nH+]1)[*:1] C[NH+](CCC1CCN(CC1)[*:1])Cc1noc(n1)-c1ccoc1
C[NH+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1noc(-c2ccoc2)n1 c1cc(co1)[*:1] C[NH+](CCC1CCN(CC1)c1cc[nH+]cc1)Cc1noc(n1)[*:1]
O=C(NCCc1ccc[nH]1)c1cccc(OC2CCCCC2)c1 c1c[nH]c(c1)CC[*:1] O=C(N[*:1])c1cccc(c1)OC1CCCCC1
O=C(NCCc1ccc[nH]1)c1cccc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NCCc1ccc[nH]1)c1cccc(c1)O[*:1]
O=C(NCCc1ccc[nH]1)c1cccc(OC2CCCCC2)c1 c1c[nH]c(c1)[*:1] O=C(NCC[*:1])c1cccc(c1)OC1CCCCC1
O=C(NCCc1ccc[nH]1)c1cccc(OC2CCCCC2)c1 c1c[nH]c(c1)C[*:1] O=C(NC[*:1])c1cccc(c1)OC1CCCCC1
O=C(NCCc1ccc[nH]1)c1cccc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] O=C(NCCc1ccc[nH]1)c1cccc(c1)[*:1]
CC(=O)N1CC[C@@H](C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)C1 Fc1cccc(F)c1[*:1] CC(=O)N1CC[C@H](C1)C(=O)N[C@H]1CCN(C1=O)[*:1]
CC(=O)N1CC[C@@H](C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)C1 CC(=O)N1CC[C@@H](C1)[*:1] O=C1[C@H](CCN1c1c(F)cccc1F)NC(=O)[*:1]
O=C(NCCCN1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCCCN1CCOCC1)Nc1ccc(Cl)c(c1)[*:1]
O=C(NCCCN1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
O=C(NCCCN1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
O=C(NCCCN1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 C1CN(CCO1)CC[*:1] O=C(NC[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
C[C@H](c1ccccc1F)N(Cn1nc(N2CCOCC2)sc1=S)C1CC1 C1CC1[*:1] C[C@H](c1ccccc1F)N(Cn1nc(sc1=S)N1CCOCC1)[*:1]
C[C@H](c1ccccc1F)N(Cn1nc(N2CCOCC2)sc1=S)C1CC1 Fc1ccccc1[*:1] C[C@H](N(Cn1nc(sc1=S)N1CCOCC1)C1CC1)[*:1]
C[C@H](c1ccccc1F)N(Cn1nc(N2CCOCC2)sc1=S)C1CC1 C1CN(CCO1)[*:1] C[C@H](c1ccccc1F)N(Cn1nc(sc1=S)[*:1])C1CC1
O=C(Cc1n[nH]c2ccccc12)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 c1ccc2c(n[nH]c2c1)[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1
CNC(=O)Cc1nc(CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)cs1 CNC(=O)[*:1] CC(C)C1CCC(CC1)[NH+]1CCN(CC1)Cc1csc(C[*:1])n1
CNC(=O)Cc1nc(CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)cs1 CNC(=O)C[*:1] CC(C)C1CCC(CC1)[NH+]1CCN(CC1)Cc1csc(n1)[*:1]
CNC(=O)Cc1nc(CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)cs1 CC(C)[*:1] CNC(=O)Cc1nc(cs1)CN1CC[NH+](CC1)C1CCC(CC1)[*:1]
O=C(NC1=N[C@H]2CCCC[C@@H]2S1)c1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] O=C(NC1=N[C@H]2CCCC[C@@H]2S1)c1cccc(c1)NC(=O)[*:1]
O=C(NC1=N[C@H]2CCCC[C@@H]2S1)c1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 O=C(NC1=N[C@H]2CCCC[C@@H]2S1)c1cccc(c1)[*:1]
O=C(CSCc1cccnc1)NC1(c2cccc(F)c2)CCOCC1 c1cncc(c1)CS[*:1] O=C(C[*:1])NC1(CCOCC1)c1cccc(F)c1
O=C(CSCc1cccnc1)NC1(c2cccc(F)c2)CCOCC1 c1cncc(c1)C[*:1] O=C(CS[*:1])NC1(CCOCC1)c1cccc(F)c1
O=C(CSCc1cccnc1)NC1(c2cccc(F)c2)CCOCC1 Fc1cccc(c1)[*:1] O=C(CSCc1cccnc1)NC1(CCOCC1)[*:1]
O=C(CSCc1cccnc1)NC1(c2cccc(F)c2)CCOCC1 c1cncc(c1)[*:1] O=C(CSC[*:1])NC1(CCOCC1)c1cccc(F)c1
C=CCn1c(=S)[nH]c2cc(C(=O)[O-])ccc2c1=O C=CC[*:1] O=C([O-])c1ccc2c(=O)n(c(=S)[nH]c2c1)[*:1]
C=CCn1c(=S)[nH]c2cc(C(=O)[O-])ccc2c1=O O=C([O-])[*:1] C=CCn1c(=S)[nH]c2cc(ccc2c1=O)[*:1]
CCN(Cc1ccccn1)C1(C[NH3+])CCC(C)(C)CC1 c1ccc(nc1)[*:1] CCN(C[*:1])C1(C[NH3+])CCC(C)(C)CC1
N#Cc1ccncc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] N#Cc1ccncc1N1CCN(CC1)C(=O)[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)S[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)CC[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)CCS[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 CN(C)S(=O)(=O)[*:1] O=C(CCSc1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)OCc1ccccc1 Clc1ccc(cc1)[*:1] O=C(CNC(=O)[C@@H]1CC(=O)N(C1)[*:1])OCc1ccccc1
O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1)O[*:1]
O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1)OC[*:1]
COc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1O O=C([O-])[*:1] COc1ccc(/C=C/c2ncc(s2)[*:1])cc1O
CSc1nc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccn12 c1ccc(cc1)[*:1] CSc1nc(C(=O)NCCC[NH+]2CCN(CC2)[*:1])c2ccccn12
CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[nH]c(=O)c32)cc1 CCO[*:1] CC[C@@H]1CCCCN1c1nc2NC(=O)C[C@H](C(=O)Nc3ccc(cc3)[*:1])c2c(=O)[nH]1
CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[nH]c(=O)c32)cc1 CCOc1ccc(cc1)[*:1] CC[C@@H]1CCCCN1c1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[NH2+]C3)cc1 CN(C)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@@H]1c1ncc2C[NH2+]CCc2n1
CN(CCOCC1CC1)C(=O)c1ccc(Cl)nn1 C1CC1[*:1] CN(CCOC[*:1])C(=O)c1ccc(Cl)nn1
CN(CCOCC1CC1)C(=O)c1ccc(Cl)nn1 C1CC1CO[*:1] CN(CC[*:1])C(=O)c1ccc(Cl)nn1
CN(CCOCC1CC1)C(=O)c1ccc(Cl)nn1 C1CC1COC[*:1] CN(C[*:1])C(=O)c1ccc(Cl)nn1
CN(CCOCC1CC1)C(=O)c1ccc(Cl)nn1 C1CC1C[*:1] CN(CCO[*:1])C(=O)c1ccc(Cl)nn1
N#Cc1ccc(NC(=O)c2cccnc2)cc1C#N c1cncc(c1)[*:1] N#Cc1ccc(cc1C#N)NC(=O)[*:1]
O=C(NCc1ccco1)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(NCc1ccco1)[C@@H]1C[C@@H](CN(C1)C(=O)[*:1])c1ccccc1
O=C(NCc1ccco1)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1 O=C(NCc1ccco1)[*:1] O=C(c1ccccc1F)N1C[C@H](C[C@H](C1)[*:1])c1ccccc1
O=C(NCc1ccco1)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1 c1coc(c1)[*:1] O=C(NC[*:1])[C@@H]1C[C@@H](CN(C1)C(=O)c1ccccc1F)c1ccccc1
O=C(NCc1ccco1)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1 c1ccc(cc1)[*:1] O=C(NCc1ccco1)[C@@H]1C[C@H](CN(C1)C(=O)c1ccccc1F)[*:1]
O=C(NCc1ccco1)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1 c1coc(c1)C[*:1] O=C(N[*:1])[C@@H]1C[C@@H](CN(C1)C(=O)c1ccccc1F)c1ccccc1
C=CCOc1ccc(/C=C/C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1OC C=CCO[*:1] COc1cc(/C=C/C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1[*:1]
C=CCOc1ccc(/C=C/C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1OC C=CC[*:1] COc1cc(/C=C/C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1O[*:1]
C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)N(C)C1CCCCC1)C2=O C1CCC(CC1)[*:1] C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)N(C)[*:1])C2=O
COc1cccc([C@@H](NCc2ccc3c(c2)OCCO3)c2[nH+]ccn2C)c1 COc1cccc(c1)[*:1] Cn1cc[nH+]c1[C@H](NCc1ccc2OCCOc2c1)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](O)C[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] COc1ccc(cc1NC(=O)N1C[C@H](O)C[C@H]1[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](O)C[C@@H]1C1CCCCC1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)N1C[C@H](O)C[C@@H]1C1CCCCC1)[*:1]
CC(C)[C@H](N[C@@H](C)c1cccnc1)c1nc2ccccc2[nH]1 c1cncc(c1)[*:1] CC(C)[C@H](N[C@@H](C)[*:1])c1nc2ccccc2[nH]1
CC(C)[C@H](N[C@@H](C)c1cccnc1)c1nc2ccccc2[nH]1 CC(C)[*:1] C[C@H](N[C@H](c1nc2ccccc2[nH]1)[*:1])c1cccnc1
C[C@H]1CCc2c(sc3nnn(CC(=O)N4CCOCC4)c(=O)c23)C1 O=C(N1CCOCC1)[*:1] C[C@H]1CCc2c(C1)sc1nnn(C[*:1])c(=O)c21
C[NH2+][C@H]([C@@H]1CCOC1)[C@@H]1C[NH+]2CCN1CC2 C1C[C@H](CO1)[*:1] C[NH2+][C@H]([C@@H]1C[NH+]2CCN1CC2)[*:1]
CC(C)[C@@H](C(=O)N1C[C@H](O)[C@H](O)C1)c1ccc(Cl)cc1 CC(C)[*:1] O=C([C@@H](c1ccc(Cl)cc1)[*:1])N1C[C@H](O)[C@H](O)C1
CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1cc(=O)[nH]c2ccccc12 Clc1cccc(c1)[*:1] CC(C)(C[*:1])C(=O)NCc1cc(=O)[nH]c2ccccc12
CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1cc(=O)[nH]c2ccccc12 Clc1cccc(c1)C[*:1] CC(C)(C(=O)NCc1cc(=O)[nH]c2ccccc12)[*:1]
O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccc(F)c(Cl)c1 c1cnc(cn1)[*:1] O=S(=O)(NCC1CCN(CC1)[*:1])c1ccc(F)c(Cl)c1
O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=S(=O)(NCC1CCN(CC1)c1cnccn1)[*:1]
C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 C[NH2+]C[C@H](C)[*:1] C[C@H](CNC(=O)[*:1])C[NH+]1CCCC1
Cc1cc(C(=O)NCc2ccn(-c3ccc(F)cc3)n2)no1 Fc1ccc(cc1)[*:1] Cc1cc(no1)C(=O)NCc1ccn(n1)[*:1]
Cc1cc(C(=O)NCc2ccn(-c3ccc(F)cc3)n2)no1 Cc1cc(no1)[*:1] O=C(NCc1ccn(n1)-c1ccc(F)cc1)[*:1]
COc1cc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)ccc1F COc1cc(ccc1F)C[*:1] O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](CC1)[*:1]
COc1cc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)ccc1F c1ccc(cc1)C[*:1] COc1cc(ccc1F)C[NH+]1CCC(CC1)n1nccc1NC(=O)[*:1]
COc1cc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)ccc1F c1ccc(cc1)[*:1] COc1cc(ccc1F)C[NH+]1CCC(CC1)n1nccc1NC(=O)C[*:1]
COc1cc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)ccc1F O=C(Cc1ccccc1)N[*:1] COc1cc(ccc1F)C[NH+]1CCC(CC1)n1nccc1[*:1]
COc1cc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)ccc1F COc1cc(ccc1F)[*:1] O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](CC1)C[*:1]
C[C@H](Sc1ccccn1)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)Nc1cccc(c1)CN1CC[NH+](C)CC1
C[C@H](Sc1ccccn1)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 c1ccc(nc1)S[*:1] C[C@H](C(=O)Nc1cccc(c1)CN1CC[NH+](C)CC1)[*:1]
CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(OC)CC1 CC(C)[*:1] CCOc1ccccc1[C@H](C[*:1])NC(=O)N1CCC(CC1)OC
CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(OC)CC1 CC(C)C[*:1] CCOc1ccccc1[C@H](NC(=O)N1CCC(CC1)OC)[*:1]
CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(OC)CC1 CCO[*:1] COC1CCN(CC1)C(=O)N[C@@H](CC(C)C)c1ccccc1[*:1]
O=C(Nc1ccc(F)cc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(Nc1ccc(F)cc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(Nc1ccc(F)cc1F)N1CCN(CC1)C[*:1]
CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(NC(C)=O)ccc2F)c1 CC(=O)N[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)c1cc(ccc1F)[*:1]
CN(C[C@@H](O)CN1CCOCC1)C(=O)NCC(C)(C)c1ccccc1F C1CN(CCO1)C[*:1] CN(C[C@@H](O)[*:1])C(=O)NCC(C)(C)c1ccccc1F
CN(C[C@@H](O)CN1CCOCC1)C(=O)NCC(C)(C)c1ccccc1F Fc1ccccc1[*:1] CN(C[C@@H](O)CN1CCOCC1)C(=O)NCC(C)(C)[*:1]
CN(C[C@@H](O)CN1CCOCC1)C(=O)NCC(C)(C)c1ccccc1F C1CN(CCO1)[*:1] CN(C[C@@H](O)C[*:1])C(=O)NCC(C)(C)c1ccccc1F
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cccc(C)n3)c2)c1 Cc1cccc(c1)[*:1] Cc1cccc(n1)C(=O)NCc1cccc(c1)NC(=O)N[*:1]
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cccc(C)n3)c2)c1 Cc1cccc(n1)[*:1] Cc1cccc(c1)NC(=O)Nc1cccc(c1)CNC(=O)[*:1]
O=C(NCC#CCOc1cccc(Br)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 Brc1cccc(c1)[*:1] O=C(NCC#CCO[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)cc1
O=C(NCC#CCOc1cccc(Br)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 Brc1cccc(c1)OC[*:1] O=C(NCC#C[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)cc1
O=C(NCC#CCOc1cccc(Br)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 Brc1cccc(c1)O[*:1] O=C(NCC#CC[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)cc1
O=C(NCC#CCOc1cccc(Br)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(NCC#CCOc1cccc(Br)c1)[C@H]1CC(=O)N(C1)[*:1]
COc1cccc2cc(CNC(=O)C(=O)Nc3ccccc3F)oc12 Fc1ccccc1[*:1] COc1cccc2cc(CNC(=O)C(=O)N[*:1])oc12
CC(C)(C)c1ccc(CCCC(N)=O)cc1 CC(C)(C)[*:1] NC(=O)CCCc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(CCCC(N)=O)cc1 NC(=O)CC[*:1] CC(C)(C)c1ccc(cc1)C[*:1]
CC(C)(C)c1ccc(CCCC(N)=O)cc1 NC(=O)C[*:1] CC(C)(C)c1ccc(cc1)CC[*:1]
CC(C)(C)c1ccc(CCCC(N)=O)cc1 NC(=O)[*:1] CC(C)(C)c1ccc(cc1)CCC[*:1]
CN(C)c1cccc(C2CCN(S(=O)(=O)c3cn[nH]c3)CC2)[nH+]1 c1n[nH]cc1[*:1] CN(C)c1cccc([nH+]1)C1CCN(CC1)S(=O)(=O)[*:1]
CN(C)c1cccc(C2CCN(S(=O)(=O)c3cn[nH]c3)CC2)[nH+]1 CN(C)[*:1] O=S(=O)(c1cn[nH]c1)N1CCC(CC1)c1cccc([nH+]1)[*:1]
Cc1c(C(=O)N2CCCC2)oc2c1ccc1ccccc12 O=C(N1CCCC1)[*:1] Cc1c(oc2c1ccc1ccccc12)[*:1]
O=C(Nn1c(-c2cccc(Cl)c2)nc2ccccc2c1=O)c1ccncc1 c1cc(ccn1)[*:1] O=C(Nn1c(nc2ccccc2c1=O)-c1cccc(Cl)c1)[*:1]
O=C(Nn1c(-c2cccc(Cl)c2)nc2ccccc2c1=O)c1ccncc1 Clc1cccc(c1)[*:1] O=C(Nn1c(nc2ccccc2c1=O)[*:1])c1ccncc1
O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccccc1SC(F)F FC(F)S[*:1] O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)Nc1ccccc1[*:1]
O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccccc1SC(F)F FC(F)Sc1ccccc1[*:1] O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)N[*:1]
O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccccc1SC(F)F FC(F)[*:1] O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)Nc1ccccc1S[*:1]
CC[C@@H](O)c1ccc(N(C)C)nc1S(N)(=O)=O CN(C)[*:1] CC[C@@H](O)c1ccc(nc1S(N)(=O)=O)[*:1]
CC[C@@H](O)c1ccc(N(C)C)nc1S(N)(=O)=O CC[C@@H](O)[*:1] CN(C)c1ccc(c(n1)S(N)(=O)=O)[*:1]
CC[C@@H](O)c1ccc(N(C)C)nc1S(N)(=O)=O NS(=O)(=O)[*:1] CC[C@@H](O)c1ccc(nc1[*:1])N(C)C
C[C@@H](c1ccccc1F)N(C(=O)NCCn1cccc1)C1CC1 C1CC1[*:1] C[C@@H](c1ccccc1F)N(C(=O)NCCn1cccc1)[*:1]
C[C@@H](c1ccccc1F)N(C(=O)NCCn1cccc1)C1CC1 c1ccn(c1)C[*:1] C[C@@H](c1ccccc1F)N(C(=O)NC[*:1])C1CC1
C[C@@H](c1ccccc1F)N(C(=O)NCCn1cccc1)C1CC1 Fc1ccccc1[*:1] C[C@@H](N(C(=O)NCCn1cccc1)C1CC1)[*:1]
C[C@@H](c1ccccc1F)N(C(=O)NCCn1cccc1)C1CC1 c1ccn(c1)[*:1] C[C@@H](c1ccccc1F)N(C(=O)NCC[*:1])C1CC1
C[C@@H](c1ccccc1F)N(C(=O)NCCn1cccc1)C1CC1 c1ccn(c1)CC[*:1] C[C@@H](c1ccccc1F)N(C(=O)N[*:1])C1CC1
Cc1ccc(-n2nc3c(=O)n(CCCC(=O)N4CCC(C(N)=O)CC4)nc(C)c3c2C)cc1 NC(=O)[*:1] Cc1ccc(cc1)-n1nc2c(=O)n(CCCC(=O)N3CCC(CC3)[*:1])nc(C)c2c1C
Cc1ccc(-n2nc3c(=O)n(CCCC(=O)N4CCC(C(N)=O)CC4)nc(C)c3c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(CCCC(=O)N2CCC(CC2)C(N)=O)c(=O)c2nn(c(C)c12)[*:1]
Cc1ccc(-n2nc3c(=O)n(CCCC(=O)N4CCC(C(N)=O)CC4)nc(C)c3c2C)cc1 NC(=O)C1CCN(CC1)C(=O)[*:1] Cc1ccc(cc1)-n1nc2c(=O)n(CCC[*:1])nc(C)c2c1C
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br O=[N+]([O-])[*:1] NS(=O)(=O)c1cc(ccc1Br)[*:1]
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br NS(=O)(=O)[*:1] O=[N+]([O-])c1ccc(Br)c(c1)[*:1]
CC(C)[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)c2ccccc2N1 CC(C)[*:1] O=C(NCC(=O)N1C[C@H](Nc2ccccc21)[*:1])c1ccccc1
CC(C)[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)c2ccccc2N1 c1ccc(cc1)[*:1] CC(C)[C@@H]1CN(C(=O)CNC(=O)[*:1])c2ccccc2N1
COc1ccccc1CC(=O)N1CCc2nc([C@@H]3CCCN3C(C)=O)ncc2C1 COc1ccccc1C[*:1] CC(=O)N1CCC[C@H]1c1ncc2CN(CCc2n1)C(=O)[*:1]
COc1ccccc1CC(=O)N1CCc2nc([C@@H]3CCCN3C(C)=O)ncc2C1 COc1ccccc1[*:1] CC(=O)N1CCC[C@H]1c1ncc2CN(CCc2n1)C(=O)C[*:1]
CSCC(=O)NNC(=O)[C@@H](C)CC1CCCCC1 C1CCC(CC1)[*:1] CSCC(=O)NNC(=O)[C@@H](C)C[*:1]
CSCC(=O)NNC(=O)[C@@H](C)CC1CCCCC1 CSC[*:1] C[C@@H](CC1CCCCC1)C(=O)NNC(=O)[*:1]
O=C(OCC(=O)N1CCc2ccccc21)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(COC(=O)[*:1])N1CCc2ccccc21
COC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3OC)cc2)CCO1 COc1ccccc1[*:1] COC(=O)[C@H]1CN(CCO1)Cc1ccc(cc1)[*:1]
COC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3OC)cc2)CCO1 COC(=O)[*:1] COc1ccccc1-c1ccc(cc1)CN1CCO[C@H](C1)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CC(C)OC(=O)[C@H](C)CNC(=O)N[C@@H]1CCCN(C1)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 CC(C)[*:1] C[C@H](CNC(=O)N[C@@H]1CCCN(C1)c1cccc(F)c1)C(=O)O[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 CC(C)OC(=O)[*:1] C[C@H](CNC(=O)N[C@@H]1CCCN(C1)c1cccc(F)c1)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 CC(C)OC(=O)[C@H](C)[*:1] O=C(NC[*:1])N[C@@H]1CCCN(C1)c1cccc(F)c1
COc1nn(C)cc1C(=O)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2 FC(F)(F)[*:1] COc1nn(C)cc1C(=O)NCCc1nc2CCCCc2c(n1)[*:1]
COc1nn(C)cc1C(=O)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2 COc1nn(C)cc1[*:1] O=C(NCCc1nc2CCCCc2c(n1)C(F)(F)F)[*:1]
Cc1nc(NC(=O)c2ccc[nH]2)sc1SCC#N N#CC[*:1] Cc1nc(NC(=O)c2ccc[nH]2)sc1S[*:1]
Cc1nc(NC(=O)c2ccc[nH]2)sc1SCC#N N#CCS[*:1] Cc1nc(NC(=O)c2ccc[nH]2)sc1[*:1]
Cc1nc(NC(=O)c2ccc[nH]2)sc1SCC#N c1c[nH]c(c1)[*:1] Cc1nc(NC(=O)[*:1])sc1SCC#N
Cc1ccc(C)c2c(C)c(C(=O)NCCc3n[nH]c(-c4ccco4)n3)oc12 c1coc(c1)[*:1] Cc1ccc(C)c2c(C)c(oc12)C(=O)NCCc1n[nH]c(n1)[*:1]
CS(=O)(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1CO CS(=O)(=O)O[*:1] O=c1[nH]c(=O)n(cc1F)[C@H]1C[C@@H]([C@@H](CO)O1)[*:1]
Cc1cc(NCC(C)(C)N2CCS(=O)CC2)n2ncnc2n1 O=S1CCN(CC1)[*:1] Cc1cc(NCC(C)(C)[*:1])n2ncnc2n1
CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(C)c1ccc(Br)cc12 CCOC(=O)[*:1] CN1C(=O)[C@]2(C(=C(N)Oc3c2c(=O)oc2ccccc32)[*:1])c2cc(Br)ccc21
CC(C)CNC(=O)CN1CC[NH2+]CC1 CC(C)C[*:1] O=C(CN1CC[NH2+]CC1)N[*:1]
CC(C)CNC(=O)CN1CC[NH2+]CC1 CC(C)[*:1] O=C(CN1CC[NH2+]CC1)NC[*:1]
COc1ccccc1CN(C(=O)CC[C@H]1[NH+]=c2ccc(C)c(C)c2=[NH+]1)C1CC1 COc1ccccc1[*:1] Cc1ccc2=[NH+][C@H](CCC(=O)N(C[*:1])C3CC3)[NH+]=c2c1C
COc1ccccc1CN(C(=O)CC[C@H]1[NH+]=c2ccc(C)c(C)c2=[NH+]1)C1CC1 COc1ccccc1C[*:1] Cc1ccc2=[NH+][C@H](CCC(=O)N(C3CC3)[*:1])[NH+]=c2c1C
COc1ccccc1CN(C(=O)CC[C@H]1[NH+]=c2ccc(C)c(C)c2=[NH+]1)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)CC[C@H]1[NH+]=c2ccc(C)c(C)c2=[NH+]1)[*:1]
COc1ccc(CN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@@H]4[C@H]3c3ccc(OC)cc3)C2=O)cc1 COc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
COc1ccc(CN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@@H]4[C@H]3c3ccc(OC)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2[*:1])C1=O
COc1ccc(CN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@@H]4[C@H]3c3ccc(OC)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)C[*:1]
CCOC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)C1 C1CCCC(CC1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)C1 CCOC[*:1] O=C([C@@H]1CC(=O)N(C1)C1CCCCCC1)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)C1 CCO[*:1] O=C([C@@H]1CC(=O)N(C1)C1CCCCCC1)N1CCC[C@@H](C1)C[*:1]
CS[C@@H](C)c1cccc(NC(=O)c2cn(C)nc2-c2ccccc2)c1 c1ccc(cc1)[*:1] CS[C@@H](C)c1cccc(c1)NC(=O)c1cn(C)nc1[*:1]
COC(=O)[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(C)cc2)C1 COC(=O)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)C(=O)N[*:1]
Cc1cccc(OCCC(=O)NC[C@](C)(O)c2cnn(C)c2)c1C Cc1cccc(c1C)[*:1] Cn1cc(cn1)[C@@](C)(O)CNC(=O)CCO[*:1]
Cc1cccc(OCCC(=O)NC[C@](C)(O)c2cnn(C)c2)c1C Cn1cc(cn1)[*:1] Cc1cccc(OCCC(=O)NC[C@](C)(O)[*:1])c1C
CN(CCc1ccc(F)cc1)C(=O)c1ccccc1N(C)C(=O)C1CC1 Fc1ccc(cc1)[*:1] CN(CC[*:1])C(=O)c1ccccc1N(C)C(=O)C1CC1
CN(CCc1ccc(F)cc1)C(=O)c1ccccc1N(C)C(=O)C1CC1 C1CC1[*:1] CN(CCc1ccc(F)cc1)C(=O)c1ccccc1N(C)C(=O)[*:1]
CN(CCc1ccc(F)cc1)C(=O)c1ccccc1N(C)C(=O)C1CC1 Fc1ccc(cc1)C[*:1] CN(C[*:1])C(=O)c1ccccc1N(C)C(=O)C1CC1
CN(CCc1ccc(F)cc1)C(=O)c1ccccc1N(C)C(=O)C1CC1 CN(C(=O)C1CC1)[*:1] CN(CCc1ccc(F)cc1)C(=O)c1ccccc1[*:1]
CCC[C@@H]1Nc2ncccc2NC1=O CCC[*:1] O=C1Nc2cccnc2N[C@H]1[*:1]
C[C@@H](CCc1ccccc1F)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] C[C@@H](CCc1ccccc1F)C(=O)N1CCCN(CC1)C(=O)[*:1]
C[C@@H](CCc1ccccc1F)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 Fc1ccccc1C[*:1] C[C@@H](C[*:1])C(=O)N1CCCN(CC1)C(=O)C(C)(C)C
C[C@@H](CCc1ccccc1F)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 Fc1ccccc1[*:1] C[C@@H](CC[*:1])C(=O)N1CCCN(CC1)C(=O)C(C)(C)C
CCc1nc([C@@H](C)NC(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)cs1 CCc1nc(cs1)[*:1] C[C@@H](NC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
C=CCNC(=O)Cc1coc2ccc3ccccc3c12 C=CC[*:1] O=C(Cc1coc2ccc3ccccc3c12)N[*:1]
C=CCNC(=O)Cc1coc2ccc3ccccc3c12 C=CCNC(=O)[*:1] c1ccc2c(c1)ccc1occ(C[*:1])c12
Cc1cncc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)c1 Cc1cncc(c1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1ccccc1Br
Cc1cncc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Br)c1 Brc1ccccc1[*:1] Cc1cncc(c1)C(=O)O[C@H](C)C(=O)N[*:1]
CNC(=O)c1ccc(NCC(C)(C)N2CCS(=O)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(NCC(C)(C)N2CCS(=O)CC2)c(c1)[*:1]
CNC(=O)c1ccc(NCC(C)(C)N2CCS(=O)CC2)c([N+](=O)[O-])c1 CNC(=O)[*:1] CC(C)(CNc1ccc(cc1[N+](=O)[O-])[*:1])N1CCS(=O)CC1
c1ccc(C2(c3nc(-c4ccc(N5CCOCC5)cc4)no3)CC2)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)C1(CC1)c1nc(no1)-c1ccc(cc1)[*:1]
c1ccc(C2(c3nc(-c4ccc(N5CCOCC5)cc4)no3)CC2)cc1 c1ccc(cc1)[*:1] c1cc(ccc1-c1noc(n1)C1(CC1)[*:1])N1CCOCC1
Fc1cc([C@@H]2OCC[C@H]2NCc2cccnc2)ccc1Cl c1cncc(c1)C[*:1] Fc1cc(ccc1Cl)[C@@H]1OCC[C@H]1N[*:1]
Fc1cc([C@@H]2OCC[C@H]2NCc2cccnc2)ccc1Cl c1cncc(c1)[*:1] Fc1cc(ccc1Cl)[C@@H]1OCC[C@H]1NC[*:1]
COc1ccc(F)c(NC(=O)NCCCN(C)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)NCCCN(C)[*:1]
COc1ccc(F)c(NC(=O)NCCCN(C)c2ccccc2)c1 CN(c1ccccc1)[*:1] COc1ccc(F)c(c1)NC(=O)NCCC[*:1]
Cc1ccc(C(=O)N(Cc2nc3nc(C)cc([O-])n3n2)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N(Cc1nc2nc(C)cc([O-])n2n1)C(=O)[*:1]
Cc1ccc(C(=O)N(Cc2nc3nc(C)cc([O-])n3n2)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N(Cc1nc2nc(C)cc([O-])n2n1)[*:1]
C[S@](=O)CCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C[S@](=O)CC[*:1] O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
C[S@](=O)CCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C[S@](=O)[*:1] O=C(NCC[*:1])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
C[S@](=O)CCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 C[S@](=O)C[*:1] O=C(NC[*:1])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
CC[C@@H](Cc1ccc(C)cc1)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O Cc1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)CCN1C(=O)NC2(CCCC2)C1=O
CC[C@@H](Cc1ccc(C)cc1)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O Cc1ccc(cc1)C[*:1] CC[C@@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)[*:1]
CCCc1nnc(NC(=O)CSc2nnnn2-c2ccccc2)s1 CCCc1nnc(s1)[*:1] O=C(CSc1nnnn1-c1ccccc1)N[*:1]
CCCc1nnc(NC(=O)CSc2nnnn2-c2ccccc2)s1 c1ccc(cc1)[*:1] CCCc1nnc(NC(=O)CSc2nnnn2[*:1])s1
CCCc1nnc(NC(=O)CSc2nnnn2-c2ccccc2)s1 CCC[*:1] O=C(CSc1nnnn1-c1ccccc1)Nc1nnc(s1)[*:1]
O=c1cc(Cn2cc([N+](=O)[O-])ccc2=O)c2cc(Cl)c(O)cc2o1 O=[N+]([O-])[*:1] O=c1cc(Cn2cc(ccc2=O)[*:1])c2cc(Cl)c(O)cc2o1
Cc1ccc(SCCCC(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc1 Cc1ccc(cc1)S[*:1] Cc1cc(-c2nnc(NC(=O)CCC[*:1])o2)c(C)o1
Cc1ccc(SCCCC(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(-c2nnc(NC(=O)CCCS[*:1])o2)c(C)o1
Cc1ccc(SCCCC(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc1 Cc1cc(c(C)o1)[*:1] Cc1ccc(cc1)SCCCC(=O)Nc1nnc(o1)[*:1]
Cc1ncccc1NC(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 Cc1ncccc1[*:1] O=C(N[*:1])C(=O)N1CCC[C@@H](C1)C(=O)Nc1ccccc1
Cc1ncccc1NC(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 O=C(Nc1ccccc1)[*:1] Cc1ncccc1NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ncccc1NC(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ncccc1NC(=O)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCOCc1ccc(C(=O)N2CCC[C@H]2c2nc(NC)c3c([nH+]2)CCN(C(C)=O)C3)cc1 CCO[*:1] CNc1nc([nH+]c2CCN(Cc12)C(C)=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)C[*:1]
CCOCc1ccc(C(=O)N2CCC[C@H]2c2nc(NC)c3c([nH+]2)CCN(C(C)=O)C3)cc1 CCOCc1ccc(cc1)[*:1] CNc1nc([nH+]c2CCN(Cc12)C(C)=O)[C@@H]1CCCN1C(=O)[*:1]
CCOCc1ccc(C(=O)N2CCC[C@H]2c2nc(NC)c3c([nH+]2)CCN(C(C)=O)C3)cc1 CCOC[*:1] CNc1nc([nH+]c2CCN(Cc12)C(C)=O)[C@@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
COC(=O)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O COC(=O)C[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])c1ccccc1Br
COC(=O)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O COC(=O)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1Br
Cc1nn(C)c(C(=O)Nc2cnn(C)c2C(N)=O)c1Br NC(=O)[*:1] Cc1nn(C)c(C(=O)Nc2cnn(C)c2[*:1])c1Br
Cc1ccc(S(=O)(=O)/N=C(\Nc2c(C)cccc2C)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(C)c1N/C(=N\S(=O)(=O)[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)/N=C(\Nc2c(C)cccc2C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\Nc1c(C)cccc1C)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\Nc2c(C)cccc2C)c2ccccc2)cc1 Cc1cccc(C)c1[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\N[*:1])c1ccccc1
Cc1cccc(NC(=O)C2CCN(C(=O)c3nc4cc(Cl)ccn4c3C)CC2)c1 Cc1cccc(c1)[*:1] Cc1c(nc2cc(Cl)ccn12)C(=O)N1CCC(CC1)C(=O)N[*:1]
CCc1ncc(CN(C)C(=O)[C@@H](c2ccccc2)C(C)C)s1 CCc1ncc(s1)[*:1] CC(C)[C@@H](C(=O)N(C)C[*:1])c1ccccc1
CCc1ncc(CN(C)C(=O)[C@@H](c2ccccc2)C(C)C)s1 c1ccc(cc1)[*:1] CCc1ncc(CN(C)C(=O)[C@@H](C(C)C)[*:1])s1
CCc1ncc(CN(C)C(=O)[C@@H](c2ccccc2)C(C)C)s1 CC(C)[*:1] CCc1ncc(CN(C)C(=O)[C@@H](c2ccccc2)[*:1])s1
O=C(COc1ccc(-n2cnnn2)cc1)NC[C@@H]1Cc2ccccc2O1 c1nnnn1[*:1] O=C(COc1ccc(cc1)[*:1])NC[C@@H]1Cc2ccccc2O1
COc1ccc2c(C)cc3nnc(SCC(=O)N4CCCCCC4)n3c2c1 O=C(N1CCCCCC1)[*:1] COc1ccc2c(C)cc3nnc(SC[*:1])n3c2c1
CCCOc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 CCC[*:1] O=C(CNC(=O)c1ccc(cc1)O[*:1])Nc1ccc(F)c(F)c1F
CCCOc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 CCCO[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])Nc1ccc(F)c(F)c1F
Nc1nc(CCNC(=O)c2cccc(CC3CC[NH2+]CC3)c2)cs1 Nc1nc(cs1)CC[*:1] O=C(N[*:1])c1cccc(c1)CC1CC[NH2+]CC1
Nc1nc(CCNC(=O)c2cccc(CC3CC[NH2+]CC3)c2)cs1 Nc1nc(cs1)[*:1] O=C(NCC[*:1])c1cccc(c1)CC1CC[NH2+]CC1
Nc1nc(CCNC(=O)c2cccc(CC3CC[NH2+]CC3)c2)cs1 Nc1nc(cs1)C[*:1] O=C(NC[*:1])c1cccc(c1)CC1CC[NH2+]CC1
C=CCn1/c(=N/C(=O)C2CCC2)sc2cc(S(C)(=O)=O)ccc21 C=CC[*:1] CS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)C1CCC1)n2[*:1]
C=CCn1/c(=N/C(=O)C2CCC2)sc2cc(S(C)(=O)=O)ccc21 C1CC(C1)[*:1] C=CCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
C=CCn1/c(=N/C(=O)C2CCC2)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] C=CCn1/c(=N/C(=O)C2CCC2)sc2cc(ccc21)[*:1]
COC(=O)c1ccc(NC(=S)NC(=O)c2ccc3nsnc3c2)cc1 COC(=O)[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1ccc2nsnc2c1
O=C(Cc1c(F)cccc1F)Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] O=C(Cc1c(F)cccc1F)Nc1cc(ccc1F)[*:1]
Cc1cc(C(=O)Nc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C Clc1ccc(cc1)[*:1] Cc1cc(nc2c1c(=O)n(C)c(=O)n2C)C(=O)N[*:1]
CO[C@]1(C)C[C@H](NC(=O)N(C)Cc2c(C)noc2C)C1(C)C Cc1noc(C)c1[*:1] CO[C@]1(C)C[C@H](NC(=O)N(C)C[*:1])C1(C)C
CCC(C)(C)[C@@H]1CCCN1C(=O)c1cnc2sc(C)cn2c1=O CCC(C)(C)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N1CCC[C@H]1[*:1]
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1F)C2=O O=C(NC1CCCCCC1)[*:1] CCOC(=O)c1cc2C(=O)N(Cc3ccccc3F)[C@](C)(Cn2n1)[*:1]
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1F)C2=O C1CCCC(CC1)[*:1] CCOC(=O)c1cc2C(=O)N(Cc3ccccc3F)[C@@](C)(Cn2n1)C(=O)N[*:1]
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1F)C2=O Fc1ccccc1C[*:1] CCOC(=O)c1cc2C(=O)N([C@@](C)(Cn2n1)C(=O)NC1CCCCCC1)[*:1]
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1F)C2=O Fc1ccccc1[*:1] CCOC(=O)c1cc2C(=O)N(C[*:1])[C@@](C)(Cn2n1)C(=O)NC1CCCCCC1
CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(Cc1ccccc1F)C2=O CCOC(=O)[*:1] C[C@]1(Cn2nc(cc2C(=O)N1Cc1ccccc1F)[*:1])C(=O)NC1CCCCCC1
CCC[NH2+][C@H](Cc1nc(C)c(C)s1)CC(C)C CCC[*:1] Cc1nc(C[C@H](CC(C)C)[NH2+][*:1])sc1C
CCC[NH2+][C@H](Cc1nc(C)c(C)s1)CC(C)C CC(C)[*:1] CCC[NH2+][C@H](Cc1nc(C)c(C)s1)C[*:1]
CCC[NH2+][C@H](Cc1nc(C)c(C)s1)CC(C)C CC(C)C[*:1] CCC[NH2+][C@H](Cc1nc(C)c(C)s1)[*:1]
CC(C)(C)OC(=O)C1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 CC(C)(C)OC(=O)[*:1] FC(F)(F)C1CCC(CC1)[NH2+]C1CCC(CC1)[*:1]
CC(C)(C)OC(=O)C1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 FC(F)(F)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)[NH2+]C1CCC(CC1)[*:1]
CC(C)(C)OC(=O)C1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 CC(C)(C)[*:1] O=C(O[*:1])C1CCC(CC1)[NH2+]C1CCC(CC1)C(F)(F)F
C[C@@H]1CN(C(=O)[C@H]2CCC(=O)O2)c2ccccc21 O=C1CC[C@@H](O1)[*:1] C[C@@H]1CN(C(=O)[*:1])c2ccccc21
Cc1cnc(N[C@@H](CO)c2ccccc2F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(N[C@@H](CO)c2ccccc2F)c(c1)[*:1]
Cc1cnc(N[C@@H](CO)c2ccccc2F)c([N+](=O)[O-])c1 Fc1ccccc1[*:1] Cc1cnc(N[C@@H](CO)[*:1])c(c1)[N+](=O)[O-]
Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC2)no1 Cc1cc(no1)[*:1] CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC2)no1 Cc1cc(no1)NC(=O)[*:1] CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(CC1)[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC2)no1 CC(C)C[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)N[C@@H](C[NH+](C)C)[*:1]
Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC2)no1 CC(C)[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)N[C@H](C[NH+](C)C)C[*:1]
Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c1 Cc1cccc(c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1cccc(Br)c1
Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c1 Brc1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cn1c(SCCOc2cccc(Br)c2)nnc1[C@H]1CCS(=O)(=O)C1 Brc1cccc(c1)[*:1] Cn1c(nnc1[C@H]1CCS(=O)(=O)C1)SCCO[*:1]
Cn1c(SCCOc2cccc(Br)c2)nnc1[C@H]1CCS(=O)(=O)C1 Brc1cccc(c1)O[*:1] Cn1c(nnc1[C@H]1CCS(=O)(=O)C1)SCC[*:1]
Cc1ccccc1N1CCN(C(=O)CCc2cn3ccccc3n2)[C@@H](C)C1 Cc1ccccc1[*:1] C[C@H]1CN(CCN1C(=O)CCc1cn2ccccc2n1)[*:1]
Cc1ccccc1N1CCN(C(=O)CCc2cn3ccccc3n2)[C@@H](C)C1 c1ccn2cc(nc2c1)[*:1] Cc1ccccc1N1CCN(C(=O)CC[*:1])[C@@H](C)C1
CN(C)C(=O)c1ccc(N[C@H]2CCCC[NH2+]C2)nn1 CN(C)C(=O)[*:1] c1cc(nnc1N[C@H]1CCCC[NH2+]C1)[*:1]
CCOc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 CCO[*:1] C[C@@H](NC(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1)c1ccc(cc1)[*:1]
O=C(CSc1ccccc1)NCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 c1ccc(cc1)SC[*:1] O=C(Nc1cccc(Cl)c1)c1nnc(CNC(=O)[*:1])s1
O=C(CSc1ccccc1)NCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 c1ccc(cc1)[*:1] O=C(CS[*:1])NCc1nnc(s1)C(=O)Nc1cccc(Cl)c1
O=C(CSc1ccccc1)NCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] O=C(CSc1ccccc1)NCc1nnc(s1)C(=O)N[*:1]
O=C(CSc1ccccc1)NCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 c1ccc(cc1)S[*:1] O=C(C[*:1])NCc1nnc(s1)C(=O)Nc1cccc(Cl)c1
O=C(CN1CCN(c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(CN1CCN(C1=O)c1ccc(F)cc1)N[*:1]
O=C(CN1CCN(c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1Cl Fc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])Nc1ccc(Cl)cc1Cl
COC(=O)c1cccc(N2CCO[C@H](c3ccsc3)C2)n1 COC(=O)[*:1] c1cc(nc(c1)[*:1])N1CCO[C@@H](C1)c1ccsc1
COC(=O)c1cccc(N2CCO[C@H](c3ccsc3)C2)n1 c1cc(cs1)[*:1] COC(=O)c1cccc(n1)N1CCO[C@H](C1)[*:1]
Cc1ccc(C)c(OCc2nnc(SCc3ncoc3C(C)C)o2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)c1ocnc1CSc1nnc(CO[*:1])o1
Cc1ccc(C)c(OCc2nnc(SCc3ncoc3C(C)C)o2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)OCc1nnc(o1)SCc1ncoc1[*:1]
Cc1ccc(C)c(OCc2nnc(SCc3ncoc3C(C)C)o2)c1 CC(C)c1ocnc1[*:1] Cc1ccc(C)c(c1)OCc1nnc(o1)SC[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(Nc1ccc(Cl)cc1F)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC(C)[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1C(=O)c2ccccc2C1=O Fc1cc(Cl)ccc1[*:1] CC(C)[C@@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CC(C)[C@@H](CO)NC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 CC(C)[*:1] C[C@H]1CN(C(=O)C(=O)N[C@H](CO)[*:1])c2ccccc2O1
CC(C)[C@@H](CO)NC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 CC(C)[C@@H](CO)[*:1] C[C@H]1CN(C(=O)C(=O)N[*:1])c2ccccc2O1
Cc1n[nH]c(C2CCCCC2)c1C(=O)NN NNC(=O)[*:1] Cc1n[nH]c(c1[*:1])C1CCCCC1
CCN(CCOC)C(=O)Cn1cccc1C(=O)[O-] O=C([O-])[*:1] CCN(CCOC)C(=O)Cn1cccc1[*:1]
CCN(CCOC)C(=O)Cn1cccc1C(=O)[O-] COCC[*:1] CCN(C(=O)Cn1cccc1C(=O)[O-])[*:1]
CCN(CCOC)C(=O)Cn1cccc1C(=O)[O-] COC[*:1] CCN(C[*:1])C(=O)Cn1cccc1C(=O)[O-]
O=C([O-])c1c[nH]c(=O)n(-c2ccc(Br)cc2)c1=O O=C([O-])[*:1] O=c1[nH]cc(c(=O)n1-c1ccc(Br)cc1)[*:1]
COc1cc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2CCO)ccc1O OCC[*:1] COc1cc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2[*:1])ccc1O
C[C@H](CS(C)(=O)=O)N(Cc1cnn(C(C)(C)C)c1)C1CC1 C1CC1[*:1] C[C@H](CS(C)(=O)=O)N(Cc1cnn(c1)C(C)(C)C)[*:1]
C[C@H](CS(C)(=O)=O)N(Cc1cnn(C(C)(C)C)c1)C1CC1 CS(=O)(=O)[*:1] C[C@H](C[*:1])N(Cc1cnn(c1)C(C)(C)C)C1CC1
C[C@H](CS(C)(=O)=O)N(Cc1cnn(C(C)(C)C)c1)C1CC1 C[C@H](CS(C)(=O)=O)[*:1] CC(C)(C)n1cc(cn1)CN(C1CC1)[*:1]
C[C@H](CS(C)(=O)=O)N(Cc1cnn(C(C)(C)C)c1)C1CC1 CC(C)(C)[*:1] C[C@H](CS(C)(=O)=O)N(Cc1cnn(c1)[*:1])C1CC1
C[C@H](CS(C)(=O)=O)N(Cc1cnn(C(C)(C)C)c1)C1CC1 CS(=O)(=O)C[*:1] C[C@H](N(Cc1cnn(c1)C(C)(C)C)C1CC1)[*:1]
Nc1nccc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1 Nc1nccc(n1)[*:1] Fc1cccc(Cl)c1COc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[nH]c(=O)c32)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])c2c(nc([nH]c2=O)N2CCCC2)N1
Cc1c(C(=O)N[C@H](C)c2cccc(Cl)c2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)N[C@H](C)c1cccc(Cl)c1
Cc1c(C(=O)N[C@H](C)c2cccc(Cl)c2)cccc1[N+](=O)[O-] Clc1cccc(c1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N[C@H](C)[*:1]
C=CC[NH2+]CC(=O)NC1(CO)CCCC1 C=CC[*:1] O=C(C[NH2+][*:1])NC1(CO)CCCC1
CCc1nc(-c2ccc(N3CCN(C(=O)C4(c5ccc(Cl)cc5)CCCC4)CC3)[nH+]c2)no1 Clc1ccc(cc1)[*:1] CCc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)C1(CCCC1)[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)C4(c5ccc(Cl)cc5)CCCC4)CC3)[nH+]c2)no1 CCc1nc(no1)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)[*:1])C1(CCCC1)c1ccc(Cl)cc1
COc1ccc(OC)c(N(CC(=O)Nc2ccc(I)cc2)S(C)(=O)=O)c1 Ic1ccc(cc1)[*:1] COc1ccc(OC)c(c1)N(CC(=O)N[*:1])S(C)(=O)=O
C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O c1ccc2oc(cc2c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O)[*:1]
C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O c1ccc2O[C@@H](COc2c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1cc2ccccc2o1
CN(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CC(=O)NCc1ccc2OCOc2c1)[*:1]
CN(Cc1ccc2c(c1)OCCO2)c1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] CN(Cc1ccc2OCCOc2c1)c1ccccc1[*:1]
COC(=O)Cn1c(=O)oc(=O)c2cc(Cl)ccc21 COC(=O)C[*:1] O=c1oc(=O)n(c2ccc(Cl)cc12)[*:1]
COC(=O)Cn1c(=O)oc(=O)c2cc(Cl)ccc21 COC(=O)[*:1] O=c1oc(=O)n(C[*:1])c2ccc(Cl)cc12
COCCC(=O)N[C@H](C)Cc1c(Cl)cccc1Cl COC[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C[*:1]
COCCC(=O)N[C@H](C)Cc1c(Cl)cccc1Cl COCC[*:1] C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[*:1]
NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1 Fc1ccc(F)c(c1)[*:1] NC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N[*:1]
NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1 NC(=O)N[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])Nc1cc(F)ccc1F
CCCn1ccc2cc(NC(=O)C(=O)NCC3(CC)CC3)ccc21 CCC1(CC1)[*:1] CCCn1ccc2cc(ccc21)NC(=O)C(=O)NC[*:1]
CCCn1ccc2cc(NC(=O)C(=O)NCC3(CC)CC3)ccc21 CCC[*:1] CCC1(CC1)CNC(=O)C(=O)Nc1ccc2c(ccn2[*:1])c1
CCCn1ccc2cc(NC(=O)C(=O)NCC3(CC)CC3)ccc21 CCC1(CC1)C[*:1] CCCn1ccc2cc(ccc21)NC(=O)C(=O)N[*:1]
Cc1ccc(C(C)(C)CC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 Cc1ccc(cc1)[*:1] CC(C)(CC(=O)N1CCc2c(C1)sc(N)c2C#N)[*:1]
C[C@@H](OC(=O)c1cccnc1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl c1cncc(c1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1ncc(cc1Cl)C(F)(F)F
C[C@@H](OC(=O)c1cccnc1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] C[C@@H](OC(=O)c1cccnc1)C(=O)Nc1ncc(cc1Cl)[*:1]
CCOC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 CCOC(=O)N[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCCc2ccccc21
COc1ccc(OC)c(CCNC(=O)c2sc(Cl)nc2C)c1 Cc1nc(Cl)sc1[*:1] COc1ccc(OC)c(c1)CCNC(=O)[*:1]
C[C@@](O)(CNC(=O)NNC(=O)Cc1cccnc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@](O)(CNC(=O)NNC(=O)Cc1cccnc1)[*:1]
C[C@@](O)(CNC(=O)NNC(=O)Cc1cccnc1)c1ccsc1 c1cncc(c1)C[*:1] C[C@@](O)(CNC(=O)NNC(=O)[*:1])c1ccsc1
C[C@@](O)(CNC(=O)NNC(=O)Cc1cccnc1)c1ccsc1 c1cncc(c1)[*:1] C[C@@](O)(CNC(=O)NNC(=O)C[*:1])c1ccsc1
COc1ccc(-c2ccc(=O)n(C/C([O-])=N/c3nnc([C@H]4CCCO4)s3)n2)c(F)c1 COc1ccc(c(F)c1)[*:1] O=c1ccc(nn1C/C([O-])=N/c1nnc(s1)[C@H]1CCCO1)[*:1]
O=C(NCC1CCC1)[C@@H]1CCCN1C(=O)c1ccccc1O Oc1ccccc1[*:1] O=C(NCC1CCC1)[C@@H]1CCCN1C(=O)[*:1]
O=C(NCC1CCC1)[C@@H]1CCCN1C(=O)c1ccccc1O C1CC(C1)[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)c1ccccc1O
O=C(NCC1CCC1)[C@@H]1CCCN1C(=O)c1ccccc1O C1CC(C1)C[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1ccccc1O
CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CC)ccc1OC CC[C@@H](C)NC(=O)[*:1] CCNS(=O)(=O)c1cc(ccc1OC)[*:1]
CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CC)ccc1OC CCNS(=O)(=O)[*:1] CC[C@@H](C)NC(=O)c1ccc(OC)c(c1)[*:1]
CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CC)ccc1OC CC[C@@H](C)[*:1] CCNS(=O)(=O)c1cc(ccc1OC)C(=O)N[*:1]
CC(C)[C@H](NC(=O)NCc1cccc(Cl)c1)c1ccccn1 CC(C)[*:1] O=C(NCc1cccc(Cl)c1)N[C@H](c1ccccn1)[*:1]
CC(C)[C@H](NC(=O)NCc1cccc(Cl)c1)c1ccccn1 Clc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)NC[*:1])c1ccccn1
CC(C)[C@H](NC(=O)NCc1cccc(Cl)c1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)NCc1cccc(Cl)c1)[*:1]
O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 c1cc(ccn1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F
O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 O=C(Nc1ccncc1)[*:1] O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(CC1)[*:1]
O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(Nc1ccncc1)C1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
CC(C)c1cc(=O)[nH]c2cc(NC(=O)CN3C(=O)CCC3=O)ccc12 CC(C)[*:1] O=C(CN1C(=O)CCC1=O)Nc1ccc2c(cc(=O)[nH]c2c1)[*:1]
CC(C)c1cc(=O)[nH]c2cc(NC(=O)CN3C(=O)CCC3=O)ccc12 O=C1CCC(=O)N1C[*:1] CC(C)c1cc(=O)[nH]c2cc(ccc12)NC(=O)[*:1]
CC(C)c1cc(=O)[nH]c2cc(NC(=O)CN3C(=O)CCC3=O)ccc12 O=C1CCC(=O)N1[*:1] CC(C)c1cc(=O)[nH]c2cc(ccc12)NC(=O)C[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2C[C@@H](C)N(C2)[*:1])n1
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)n1 Cc1cc(C)n(C[*:1])n1 C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)NNC(=O)[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)NNC(=O)C[*:1]
C[C@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 C1CCC(C1)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1ccc(cc1)C(F)(F)F
C[C@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1ccc(cc1)[*:1]
C[C@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 O=C(NC1CCCC1)[*:1] C[C@H](S(=O)(=O)Cc1ccc(cc1)C(F)(F)F)[*:1]
Cc1c(CNC(=O)COc2cccc3c2OC(C)(C)C3)sc2nc(-c3ccc(F)cc3)cn12 Fc1ccc(cc1)[*:1] Cc1c(CNC(=O)COc2cccc3CC(C)(C)Oc32)sc2nc(cn12)[*:1]
Cc1c(CNC(=O)COc2cccc3c2OC(C)(C)C3)sc2nc(-c3ccc(F)cc3)cn12 CC1(C)Cc2cccc(c2O1)[*:1] Cc1c(CNC(=O)CO[*:1])sc2nc(cn12)-c1ccc(F)cc1
O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccccc1Cl O=C(N1CCCCC1)[*:1] O=C(Nc1nnc(SC[*:1])s1)c1ccccc1Cl
O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)N1CCCCC1
COc1ccc(CN(C)C(=O)C2C[C@H](C)O[C@@H](C)C2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CN(C)C(=O)C1C[C@H](C)O[C@@H](C)C1
COc1ccc(CN(C)C(=O)C2C[C@H](C)O[C@@H](C)C2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CN(C)C(=O)C1C[C@H](C)O[C@@H](C)C1
CC(C)(C)OC(=O)N1CCCCN1C(=O)OCc1ccccc1 CC(C)(C)[*:1] O=C(OCc1ccccc1)N1CCCCN1C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCCCN1C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CCCCN1C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCCCN1C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCCCN1C(=O)OC[*:1]
O=C1Cc2cc(NC(=O)c3cc(Br)c[nH]3)ccc2N1 Brc1c[nH]c(c1)[*:1] O=C1Cc2cc(ccc2N1)NC(=O)[*:1]
O=C(NCc1cccc(COC2CCOCC2)c1)N[C@@H]1CCC[C@@H]1CO C1CC(CCO1)OC[*:1] O=C(NCc1cccc(c1)[*:1])N[C@@H]1CCC[C@@H]1CO
O=C(NCc1cccc(COC2CCOCC2)c1)N[C@@H]1CCC[C@@H]1CO C1CC(CCO1)[*:1] O=C(NCc1cccc(c1)CO[*:1])N[C@@H]1CCC[C@@H]1CO
O=C(NCc1cccc(COC2CCOCC2)c1)N[C@@H]1CCC[C@@H]1CO C1CC(CCO1)O[*:1] O=C(NCc1cccc(c1)C[*:1])N[C@@H]1CCC[C@@H]1CO
CC[C@@H]1CCC[C@H](OC(=O)COCC[NH3+])C1 [NH3+]CCOC[*:1] CC[C@@H]1CCC[C@@H](C1)OC(=O)[*:1]
CC[C@@H]1CCC[C@H](OC(=O)COCC[NH3+])C1 [NH3+]CCO[*:1] CC[C@@H]1CCC[C@@H](C1)OC(=O)C[*:1]
CC[C@@H]1CCC[C@H](OC(=O)COCC[NH3+])C1 [NH3+]CC[*:1] CC[C@@H]1CCC[C@@H](C1)OC(=O)CO[*:1]
COCc1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2OC)cc1 COC[*:1] COc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(cc1)[*:1]
COc1cccc(N2C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 COc1cccc(c1)[*:1] O=C1N(c2cccc(c2)C(F)(F)F)[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
COc1cccc(N2C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 FC(F)(F)[*:1] COc1cccc(c1)N1C(=O)N(c2cccc(c2)[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CC(C)(C#N)c1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 FC(F)[*:1] CC(C)(C#N)c1ccc(cc1)Nc1ccc(cc1)S(=O)(=O)[*:1]
CC(C)(C#N)c1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 O=S(=O)(C(F)F)[*:1] CC(C)(C#N)c1ccc(cc1)Nc1ccc(cc1)[*:1]
CC(C)(C#N)c1ccc(Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 CC(C)(C#N)[*:1] O=S(=O)(c1ccc(cc1)Nc1ccc(cc1)[*:1])C(F)F
CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] CCCNC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 CCC[*:1] O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N[*:1]
CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 CCCNC(=O)[*:1] c1ccc(cc1)-c1nnc(SC[*:1])n1-c1ccccc1
CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] CCCNC(=O)CSc1nnc(-c2ccccc2)n1[*:1]
CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 CCCNC(=O)CS[*:1] c1ccc(cc1)-c1nnc(n1-c1ccccc1)[*:1]
CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 CCCNC(=O)C[*:1] c1ccc(cc1)-c1nnc(S[*:1])n1-c1ccccc1
C[NH+](C)Cc1ccccc1CNC(=O)C(C)(C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[NH+](C)Cc1ccccc1CNC(=O)C(C)(C)[*:1]
CCn1c(SCC(=O)NC(N)=O)nnc1-c1ccccc1 NC(=O)NC(=O)[*:1] CCn1c(nnc1-c1ccccc1)SC[*:1]
CCn1c(SCC(=O)NC(N)=O)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)NC(N)=O
CCn1c(SCC(=O)NC(N)=O)nnc1-c1ccccc1 NC(=O)NC(=O)C[*:1] CCn1c(nnc1-c1ccccc1)S[*:1]
O=C(c1csnn1)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 c1snnc1[*:1] O=C(N1CC[C@@H](C1)C1CCN(CC1)c1ncccn1)[*:1]
O=C(c1csnn1)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 c1cnc(nc1)[*:1] O=C(c1csnn1)N1CC[C@@H](C1)C1CCN(CC1)[*:1]
CCOC(=O)C1CCN(c2ncnc(Nc3ccccc3)c2N)CC1 CCOC(=O)[*:1] Nc1c(ncnc1N1CCC(CC1)[*:1])Nc1ccccc1
CCOC(=O)C1CCN(c2ncnc(Nc3ccccc3)c2N)CC1 c1ccc(cc1)N[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(c1N)[*:1]
CCOC(=O)C1CCN(c2ncnc(Nc3ccccc3)c2N)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(N[*:1])c1N
Cc1nc(-c2ccccc2)sc1CSc1ncc(C#N)c(N)n1 c1ccc(cc1)[*:1] Cc1nc(sc1CSc1ncc(C#N)c(N)n1)[*:1]
COCCCNC(=O)N1CCC[NH+](CC(=O)N(C)C)CC1 CN(C)C(=O)C[*:1] COCCCNC(=O)N1CCC[NH+](CC1)[*:1]
COCCCNC(=O)N1CCC[NH+](CC(=O)N(C)C)CC1 COC[*:1] CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)NCC[*:1]
COCCCNC(=O)N1CCC[NH+](CC(=O)N(C)C)CC1 COCCC[*:1] CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)N[*:1]
COCCCNC(=O)N1CCC[NH+](CC(=O)N(C)C)CC1 COCC[*:1] CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)NC[*:1]
COCCCNC(=O)N1CCC[NH+](CC(=O)N(C)C)CC1 CN(C)C(=O)[*:1] COCCCNC(=O)N1CCC[NH+](CC1)C[*:1]
CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3cccc([C@@]4(C)NC(=O)NC4=O)c3)cc2C1 CC(C)(C)[*:1] C[C@@]1(NC(=O)NC1=O)c1cccc(c1)NC(=O)c1cc2C[C@H](CCc2s1)[*:1]
COc1cc(OC)cc([C@@H](O)[C@@]2(NC(C)=O)C(=O)N(C)c3ccccc32)c1 CC(=O)N[*:1] COc1cc(cc(c1)[C@@H](O)[C@]1(C(=O)N(C)c2ccccc21)[*:1])OC
O=C(NCc1cccc(OCC2CCCCC2)c1)c1cc2ncsc2[nH]1 C1CCC(CC1)[*:1] O=C(NCc1cccc(c1)OC[*:1])c1cc2ncsc2[nH]1
O=C(NCc1cccc(OCC2CCCCC2)c1)c1cc2ncsc2[nH]1 C1CCC(CC1)C[*:1] O=C(NCc1cccc(c1)O[*:1])c1cc2ncsc2[nH]1
O=C(NCc1cccc(OCC2CCCCC2)c1)c1cc2ncsc2[nH]1 C1CCC(CC1)CO[*:1] O=C(NCc1cccc(c1)[*:1])c1cc2ncsc2[nH]1
C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1cccc(c1)NC(=O)c1ccco1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)NC(=O)c1ccco1
C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(c1)NC(=O)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(c1)[*:1]
COCCNC(=O)c1ccc(COC(C)C)cc1 CC(C)OC[*:1] COCCNC(=O)c1ccc(cc1)[*:1]
COCCNC(=O)c1ccc(COC(C)C)cc1 COCC[*:1] CC(C)OCc1ccc(cc1)C(=O)N[*:1]
COCCNC(=O)c1ccc(COC(C)C)cc1 CC(C)[*:1] COCCNC(=O)c1ccc(cc1)CO[*:1]
COCCNC(=O)c1ccc(COC(C)C)cc1 CC(C)O[*:1] COCCNC(=O)c1ccc(cc1)C[*:1]
COCCNC(=O)c1ccc(COC(C)C)cc1 COC[*:1] CC(C)OCc1ccc(cc1)C(=O)NC[*:1]
C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](CCC#N)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](CCC#N)[*:1]
C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](CCC#N)c1ccccc1 N#CC[*:1] C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](C[*:1])c1ccccc1
C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](CCC#N)c1ccccc1 N#CCC[*:1] C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](c1ccccc1)[*:1]
C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](CCC#N)c1ccccc1 C1CO[C@@H](C1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H](CCC#N)c1ccccc1
C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](CCC#N)c1ccccc1 C1CO[C@@H](C1)C[*:1] C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)[*:1]
O=C([O-])[C@H]1C[NH2+]C[C@H]1c1ccc(C2CC2)cc1 O=C([O-])[*:1] c1cc(ccc1C1CC1)[C@@H]1C[NH2+]C[C@@H]1[*:1]
O=C([O-])[C@H]1C[NH2+]C[C@H]1c1ccc(C2CC2)cc1 C1CC1[*:1] O=C([O-])[C@H]1C[NH2+]C[C@H]1c1ccc(cc1)[*:1]
C[C@@H](NC(=O)[C@@](C)(N)C(F)(F)F)C(=O)N1CCCCC1 FC(F)(F)[*:1] C[C@@H](NC(=O)[C@@](C)(N)[*:1])C(=O)N1CCCCC1
COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)N[C@H](C)Cc4ccco4)CC3)[nH]c2c1 c1coc(c1)C[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)[C@H](C)C(=O)N[C@H](C)[*:1]
COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)N[C@H](C)Cc4ccco4)CC3)[nH]c2c1 c1coc(c1)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)[C@H](C)C(=O)N[C@H](C)C[*:1]
CCOc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 CCOc1ccccc1[*:1] O=C(C=C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
CCOc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 CCO[*:1] O=C(/C=C/c1ccccc1[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
CCOc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] CCOc1ccccc1/C=C/C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCNC(=O)NC(=O)[C@H](C)N(CC1CC1)CC(F)(F)F FC(F)(F)[*:1] CCNC(=O)NC(=O)[C@H](C)N(CC1CC1)C[*:1]
CCNC(=O)NC(=O)[C@H](C)N(CC1CC1)CC(F)(F)F FC(F)(F)C[*:1] CCNC(=O)NC(=O)[C@H](C)N(CC1CC1)[*:1]
CCNC(=O)NC(=O)[C@H](C)N(CC1CC1)CC(F)(F)F C1CC1[*:1] CCNC(=O)NC(=O)[C@H](C)N(CC(F)(F)F)C[*:1]
CCNC(=O)NC(=O)[C@H](C)N(CC1CC1)CC(F)(F)F C1CC1C[*:1] CCNC(=O)NC(=O)[C@H](C)N(CC(F)(F)F)[*:1]
CC(C)(C)Sc1ccc(NC(=O)c2cnc([C@H]3CCCO3)s2)cc1 CC(C)(C)S[*:1] O=C(Nc1ccc(cc1)[*:1])c1cnc(s1)[C@H]1CCCO1
CC(C)(C)Sc1ccc(NC(=O)c2cnc([C@H]3CCCO3)s2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)S[*:1])c1cnc(s1)[C@H]1CCCO1
C=CCOc1ccc(C(=O)NC(C)(C)C)cc1 C=CC[*:1] CC(C)(C)NC(=O)c1ccc(cc1)O[*:1]
C=CCOc1ccc(C(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] C=CCOc1ccc(cc1)C(=O)N[*:1]
C=CCOc1ccc(C(=O)NC(C)(C)C)cc1 C=CCO[*:1] CC(C)(C)NC(=O)c1ccc(cc1)[*:1]
CNC(=O)[C@@H](NC(=O)Cn1cccc(C)c1=O)c1ccccc1 CNC(=O)[*:1] Cc1cccn(CC(=O)N[C@@H](c2ccccc2)[*:1])c1=O
CNC(=O)[C@@H](NC(=O)Cn1cccc(C)c1=O)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@@H](NC(=O)Cn1cccc(C)c1=O)[*:1]
Cc1ccc(Nc2ccc(N)c(OC(C)(C)C)n2)cc1F CC(C)(C)O[*:1] Cc1ccc(cc1F)Nc1ccc(N)c(n1)[*:1]
Cc1ccc(Nc2ccc(N)c(OC(C)(C)C)n2)cc1F CC(C)(C)[*:1] Cc1ccc(cc1F)Nc1ccc(N)c(n1)O[*:1]
Cc1c(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cnn1C(C)C Cc1c(cnn1C(C)C)[*:1] O=C(N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1)[*:1]
Cc1c(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cnn1C(C)C c1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)N1C[C@H]2OCCN(C[*:1])[C@@H]2C1
Cc1c(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1
Cc1c(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cnn1C(C)C c1ccc(cc1)C[*:1] Cc1c(cnn1C(C)C)C(=O)N1C[C@H]2OCCN([C@@H]2C1)[*:1]
CCOc1ccc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1OC Cc1ccc(cc1)[*:1] CCOc1ccc(cc1OC)NC(=O)CN1C(=O)[C@@H](C)N(C1=O)[*:1]
CCOc1ccc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1OC CCO[*:1] COc1cc(ccc1[*:1])NC(=O)CN1C(=O)[C@@H](C)N(C1=O)c1ccc(C)cc1
COC[C@H](C)N1CCN([C@H](C)C(=O)c2c(C)[nH]c3ccccc23)CC1 COC[C@H](C)[*:1] Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCN(CC1)[*:1]
COC[C@H](C)N1CCN([C@H](C)C(=O)c2c(C)[nH]c3ccccc23)CC1 COC[*:1] Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCN(CC1)[C@@H](C)[*:1]
CCCCCn1c(SCc2nncn2C)nc2ccccc21 Cn1cnnc1[*:1] CCCCCn1c(nc2ccccc21)SC[*:1]
CCCCCn1c(SCc2nncn2C)nc2ccccc21 CCC[*:1] Cn1cnnc1CSc1nc2ccccc2n1CC[*:1]
CCCCCn1c(SCc2nncn2C)nc2ccccc21 CCCCC[*:1] Cn1cnnc1CSc1nc2ccccc2n1[*:1]
CCCCCn1c(SCc2nncn2C)nc2ccccc21 CCCC[*:1] Cn1cnnc1CSc1nc2ccccc2n1C[*:1]
CCCCCn1c(SCc2nncn2C)nc2ccccc21 Cn1cnnc1C[*:1] CCCCCn1c(nc2ccccc21)S[*:1]
CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)C[C@@H](C)O)c1 CNS(=O)(=O)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)c1cc(ccc1Cl)[*:1]
CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)C[C@@H](C)O)c1 C[C@@H](O)C[*:1] CNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NC[C@H](C)[*:1]
CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)C[C@@H](C)O)c1 C[C@@H](O)[*:1] CNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NC[C@H](C)C[*:1]
CN(CCCN1CC[NH+](C)CC1)C(=O)C1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CN(CCCN1CC[NH+](C)CC1)C(=O)C1(CC1)[*:1]
O=C(NCCc1ccc(Cl)cc1)c1cccnc1 c1cncc(c1)[*:1] O=C(NCCc1ccc(Cl)cc1)[*:1]
COC(=O)Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2SC)nn1 COC(=O)C[*:1] CS[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(nn1)[*:1]
COC(=O)Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2SC)nn1 COC(=O)[*:1] CS[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(C[*:1])nn1
O=C(COc1ccccc1Br)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 Brc1ccccc1[*:1] O=C(CO[*:1])Nc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)[O-]
O=C(COc1ccccc1Br)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 O=C([O-])c1ccc(cc1)[*:1] O=C(COc1ccccc1Br)Nc1cccc(c1)C(=O)N[*:1]
O=C(COc1ccccc1Br)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 O=C([O-])[*:1] O=C(COc1ccccc1Br)Nc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
O=C(COc1ccccc1Br)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 Brc1ccccc1O[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)[O-]
O=C(COc1ccccc1Br)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 Brc1ccccc1OC[*:1] O=C([O-])c1ccc(cc1)NC(=O)c1cccc(c1)NC(=O)[*:1]
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O O=S(=O)(N1CCCC1)[*:1] O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cc(ccc1O)[*:1]
CN1CCO[C@H]2CN(C(=O)c3cn(C)nc3C(C)(C)C)C[C@H]21 CC(C)(C)[*:1] CN1CCO[C@H]2CN(C[C@H]21)C(=O)c1cn(C)nc1[*:1]
Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)c1Cl Cc1cccc(c1Cl)[*:1] O=C(NCCNC(=O)c1cccnc1)C(=O)N[*:1]
Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)c1Cl c1cncc(c1)[*:1] Cc1cccc(NC(=O)C(=O)NCCNC(=O)[*:1])c1Cl
N#C/C(N)=C(/C#N)NCc1ccccc1Sc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#C/C(N)=C(/C#N)NCc1ccccc1S[*:1]
CC(C)[NH2+]Cc1ccn(Cc2nccs2)n1 CC(C)[*:1] c1csc(Cn2ccc(C[NH2+][*:1])n2)n1
CC(C)[NH2+]Cc1ccn(Cc2nccs2)n1 c1csc(n1)[*:1] CC(C)[NH2+]Cc1ccn(C[*:1])n1
O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN(C[C@@H]1CCCO1)C[*:1]
O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN(C[C@@H]1CCCO1)[*:1]
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3cccs3)C2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)[C@@]1(NC(=O)N(CC(=O)c2cccs2)C1=O)[*:1]
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3cccs3)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(CN1C(=O)N[C@](C1=O)(c1ccccc1)[*:1])c1cccs1
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3cccs3)C2=O)cc1C O=C(C[*:1])c1cccs1 Cc1ccc(cc1C)[C@@]1(NC(=O)N(C1=O)[*:1])c1ccccc1
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3cccs3)C2=O)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccccc1
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3cccs3)C2=O)cc1C O=C(c1cccs1)[*:1] Cc1ccc(cc1C)[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
CC(=O)Nc1cccc(NCC(=O)N2CCCCC2)c1 CC(=O)N[*:1] O=C(CNc1cccc(c1)[*:1])N1CCCCC1
Cn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)CCC4=c5ccccc5=[NH+]C4)CC3)ccc21 Cn1c(=O)sc2cc(ccc21)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccccc1OCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 Cc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc(cc1)C[NH+]1CCCC1
Cc1ccccc1OCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 Cc1ccccc1O[*:1] O=C(C[*:1])Nc1ccc(cc1)C[NH+]1CCCC1
Cc1nc(-n2nc(C)c(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c2O)sc1C Fc1ccc(cc1)[*:1] Cc1nc(sc1C)-n1nc(C)c(CCC(=O)N2CCN(CC2)[*:1])c1O
Cc1nc(-n2nc(C)c(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c2O)sc1C Cc1nc(sc1C)[*:1] Cc1nn(c(O)c1CCC(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1]
NC(=O)[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1Cl NC(=O)[*:1] O=C(COc1ccc(cc1Cl)[N+](=O)[O-])N1CCCC[C@@H]1[*:1]
NC(=O)[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] NC(=O)[C@H]1CCCCN1C(=O)COc1ccc(cc1Cl)[*:1]
NNC(=O)COc1ccc(F)c(Cl)c1 NNC(=O)[*:1] Fc1ccc(cc1Cl)OC[*:1]
Cc1cccc(-c2[nH]ncc2C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 Cc1cccc(c1)[*:1] C[C@@H](C[NH2+]Cc1cn[nH]c1[*:1])Cn1cc[nH+]c1
C[C@H]1CCC[C@H]2CCCN(C(=O)c3cnn(C)c3)[C@H]12 Cn1cc(cn1)[*:1] C[C@H]1CCC[C@H]2CCCN(C(=O)[*:1])[C@H]12
O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1[*:1]
O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)cc1 Clc1ccccc1C[*:1] O=c1c2ccccc2n(c(=O)n1-c1ccc(Cl)cc1)[*:1]
O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)cc1 Clc1ccccc1[*:1] O=c1c2ccccc2n(C[*:1])c(=O)n1-c1ccc(Cl)cc1
O=C(NC[C@@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
O=C(NC[C@@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC[C@@H]1CCCO1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
O=C(NC[C@@H]1CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Cc1ccc(F)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 Cc1ccc(F)cc1[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCC1
Cc1ccc(F)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(F)cc1NC(=O)c1ccc(Cl)c(c1)[*:1]
C[NH+](CC1CC1)Cn1nc(N2CCCCC2)n(C2CC2)c1=S C1CC1[*:1] C[NH+](Cn1nc(N2CCCCC2)n(c1=S)C1CC1)C[*:1]
C[NH+](CC1CC1)Cn1nc(N2CCCCC2)n(C2CC2)c1=S C1CCN(CC1)[*:1] C[NH+](CC1CC1)Cn1nc(n(c1=S)C1CC1)[*:1]
C[NH+](CC1CC1)Cn1nc(N2CCCCC2)n(C2CC2)c1=S C1CC1[*:1] C[NH+](CC1CC1)Cn1nc(N2CCCCC2)n(c1=S)[*:1]
C[NH+](CC1CC1)Cn1nc(N2CCCCC2)n(C2CC2)c1=S C1CC1C[*:1] C[NH+](Cn1nc(N2CCCCC2)n(c1=S)C1CC1)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 OCc1ccc(o1)[*:1] Cc1ccc(c(c1)OCC(=O)Nc1ccc(cc1)[*:1])C(C)C
Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)Nc1ccc(cc1)-c1ccc(CO)o1)[*:1]
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)CCC(F)(F)F)c1 FC(F)(F)[*:1] CC(C)OC(=O)c1ccc(Cl)c(c1)NC(=O)CC[*:1]
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)CCC(F)(F)F)c1 CC(C)OC(=O)[*:1] O=C(CCC(F)(F)F)Nc1cc(ccc1Cl)[*:1]
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)CCC(F)(F)F)c1 CC(C)[*:1] O=C(CCC(F)(F)F)Nc1cc(ccc1Cl)C(=O)O[*:1]
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)CCC(F)(F)F)c1 FC(F)(F)CC[*:1] CC(C)OC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)CCC(F)(F)F)c1 FC(F)(F)C[*:1] CC(C)OC(=O)c1ccc(Cl)c(c1)NC(=O)C[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NNC(=O)CO[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccccc1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])NNC(=O)COc1ccccc1
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccccc1 c1ccc(cc1)OC[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NNC(=O)[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)COc1ccccc1 c1ccc(cc1)O[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NNC(=O)C[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(c1ccccc1-c1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1 CC(=O)[*:1] O=C(c1ccccc1-c1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccsc1N1CC[C@H](N2CCOCC2)C1=O COC(=O)[*:1] O=C1[C@H](CCN1c1sccc1[*:1])N1CCOCC1
COC(=O)c1ccsc1N1CC[C@H](N2CCOCC2)C1=O C1CN(CCO1)[*:1] COC(=O)c1ccsc1N1CC[C@H](C1=O)[*:1]
CNC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 Cc1noc(n1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)N1CCC[C@H](C1)[*:1]
CNC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 CNC(=O)[*:1] Cc1noc(n1)[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
O=C(/C=C/c1ccco1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(/C=C/c1ccco1)N(Cc1ccc(F)cc1)[*:1]
O=C(/C=C/c1ccco1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(/C=C/c1ccco1)N(C[C@@H]1CCCO1)C[*:1]
O=C(/C=C/c1ccco1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 c1coc(c1)[*:1] O=C(C=C[*:1])N(Cc1ccc(F)cc1)C[C@@H]1CCCO1
O=C(/C=C/c1ccco1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 C(=C[*:1])c1ccco1 O=C(N(Cc1ccc(F)cc1)C[C@@H]1CCCO1)[*:1]
O=C(/C=C/c1ccco1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 Fc1ccc(cc1)C[*:1] O=C(/C=C/c1ccco1)N(C[C@@H]1CCCO1)[*:1]
CN(C)c1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)c1ccc(cc1)C(=O)N1CCNC(=O)[C@@H]1C[*:1]
CN(C)c1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] CN(C)c1ccc(cc1)C(=O)N1CCNC(=O)[C@H]1[*:1]
CN(C)c1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)cc1 CN(C)[*:1] O=C1NCCN(C(=O)c2ccc(cc2)[*:1])[C@H]1Cc1ccccc1
CC(C)[C@@H](NC(=O)NCCCO)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)NCCCO)[*:1]
CC(C)[C@@H](NC(=O)NCCCO)c1ccccn1 OCC[*:1] CC(C)[C@@H](NC(=O)NC[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)NCCCO)c1ccccn1 CC(C)[*:1] O=C(NCCCO)N[C@@H](c1ccccn1)[*:1]
CC(C)[C@@H](NC(=O)NCCCO)c1ccccn1 OCCC[*:1] CC(C)[C@@H](NC(=O)N[*:1])c1ccccn1
O=C(N[C@H]1CCOC1)N[C@H]1CCCc2ccc(F)cc21 C1C[C@@H](CO1)[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)N[*:1]
NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CCO1 NC(=O)[*:1] O=C(N[C@H]1CCN(C1)c1c(F)cccc1F)N1CCO[C@@H](C1)[*:1]
NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CCO1 Fc1cccc(F)c1[*:1] NC(=O)[C@@H]1CN(CCO1)C(=O)N[C@H]1CCN(C1)[*:1]
CCOC[C@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)C1 CCOC[*:1] CN(C)[C@@H](CNC(=O)N1CC[C@@H](C1)[*:1])c1c(F)cccc1F
CCOC[C@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)C1 CN(C)[*:1] CCOC[C@H]1CCN(C1)C(=O)NC[C@@H](c1c(F)cccc1F)[*:1]
CCOC[C@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)C1 CCO[*:1] CN(C)[C@@H](CNC(=O)N1CC[C@@H](C1)C[*:1])c1c(F)cccc1F
CCOC[C@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)C1 Fc1cccc(F)c1[*:1] CCOC[C@H]1CCN(C1)C(=O)NC[C@@H](N(C)C)[*:1]
CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2)C1 CC(C)[*:1] O=S(=O)(NC[C@H]1CN(CCO1)C[*:1])c1cccc(F)c1
CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2)C1 CC(C)C[*:1] O=S(=O)(NC[C@H]1CN(CCO1)[*:1])c1cccc(F)c1
CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CC(C)CN1CCO[C@@H](CNS(=O)(=O)[*:1])C1
CCN(Cc1cccc(/N=C/c2c(O)ccc3ccccc23)c1)C(C)=O CCN(C(C)=O)[*:1] Oc1ccc2ccccc2c1/C=N/c1cccc(c1)C[*:1]
CCN(Cc1cccc(/N=C/c2c(O)ccc3ccccc23)c1)C(C)=O CCN(C[*:1])C(C)=O Oc1ccc2ccccc2c1/C=N/c1cccc(c1)[*:1]
CC(C)(C)c1cc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)no1 CC(C)(C)[*:1] O=C(Nc1cc(on1)[*:1])NC1CC[NH+](CC1)Cc1ccccn1
CC(C)(C)c1cc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)no1 c1ccc(nc1)[*:1] CC(C)(C)c1cc(no1)NC(=O)NC1CC[NH+](CC1)C[*:1]
CC(C)(C)c1cc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)no1 c1ccc(C[*:1])nc1 CC(C)(C)c1cc(no1)NC(=O)NC1CC[NH+](CC1)[*:1]
Cc1cc(=O)c(C(=O)N2CCC[C@@H](C)C2)c2n1-c1ccccc1S[C@@H](c1cccnc1)C2 C[C@@H]1CCCN(C1)C(=O)[*:1] Cc1cc(=O)c(c2C[C@@H](Sc3ccccc3-n12)c1cccnc1)[*:1]
Cc1cc(=O)c(C(=O)N2CCC[C@@H](C)C2)c2n1-c1ccccc1S[C@@H](c1cccnc1)C2 c1cncc(c1)[*:1] Cc1cc(=O)c(C(=O)N2CCC[C@@H](C)C2)c2C[C@H](Sc3ccccc3-n12)[*:1]
C[NH2+][C@@H](C=C(C)C)Cc1ccccc1C CC(C)=C[*:1] C[NH2+][C@@H](Cc1ccccc1C)[*:1]
CC(=O)NCCC(=O)N1CCC[C@@H](n2cccn2)C1 CC(=O)NC[*:1] O=C(C[*:1])N1CCC[C@H](C1)n1cccn1
CC(=O)NCCC(=O)N1CCC[C@@H](n2cccn2)C1 CC(=O)NCC[*:1] O=C(N1CCC[C@H](C1)n1cccn1)[*:1]
CC(=O)NCCC(=O)N1CCC[C@@H](n2cccn2)C1 c1cnn(c1)[*:1] CC(=O)NCCC(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)NCCC(=O)N1CCC[C@@H](n2cccn2)C1 CC(=O)N[*:1] O=C(CC[*:1])N1CCC[C@H](C1)n1cccn1
CC(C)(C)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)(C)NC(=O)/C=C/c1ccc(cc1)[*:1]
CC(C)(C)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 CC(C)(C)[*:1] O=C(/C=C/c1ccc(cc1)C(F)(F)F)N[*:1]
COc1ccnc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 COc1ccnc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccccc1[N+](=O)[O-]
COc1ccnc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 O=[N+]([O-])[*:1] COc1ccnc(c1)NC(=O)C1CCN(CC1)c1ccccc1[*:1]
Cc1ccc(COc2ccc(-c3nnco3)cc2)cc1 c1nnc(o1)[*:1] Cc1ccc(cc1)COc1ccc(cc1)[*:1]
CCN(CCO)C(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O Fc1cccc(c1)[*:1] CCN(CCO)C(=O)CN1C(=O)SC(=C[*:1])C1=O
CCN(CCO)C(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O CCN(CCO)C(=O)[*:1] O=C1S/C(=C\c2cccc(F)c2)C(=O)N1C[*:1]
CCN(CCO)C(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O OCC[*:1] CCN(C(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)[*:1]
COC[C@](C)(NC(=O)NCc1noc(C)n1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)NCc1noc(C)n1)[*:1]
COC[C@](C)(NC(=O)NCc1noc(C)n1)c1ccccc1 Cc1nc(C[*:1])no1 COC[C@](C)(NC(=O)N[*:1])c1ccccc1
COC[C@](C)(NC(=O)NCc1noc(C)n1)c1ccccc1 COC[*:1] Cc1nc(CNC(=O)N[C@@](C)(c2ccccc2)[*:1])no1
COC[C@](C)(NC(=O)NCc1noc(C)n1)c1ccccc1 Cc1nc(no1)[*:1] COC[C@](C)(NC(=O)NC[*:1])c1ccccc1
COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@]1(C)NC(=O)N(Cc2ccc(cc2)[*:1])C1=O
COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CCc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3CCO)c3c2CCC3)cc1 OCC[*:1] CCc1ccc(cc1)-n1nc(C(=O)N2CCCC[C@H]2[*:1])c2CCCc21
CCc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3CCO)c3c2CCC3)cc1 CCc1ccc(cc1)[*:1] O=C(c1nn(c2CCCc12)[*:1])N1CCCC[C@@H]1CCO
CC(C)n1ncc2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cnc21 CC(C)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1cnc3c(cnn3[*:1])c1)c2C#N
CC1(C)CCC[C@H](Sc2nnnn2C2CC2)[C@@H]1[NH3+] C1CC1[*:1] CC1(C)CCC[C@H](Sc2nnnn2[*:1])[C@@H]1[NH3+]
Cc1nnc(/N=C(\[O-])C(=O)c2c[nH]c3ccccc23)s1 Cc1nnc(s1)[*:1] O=C(C([O-])=N[*:1])c1c[nH]c2ccccc12
CCN(CC(C)(C)O)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(CC(C)(C)O)c1cccc(c1[*:1])S(C)(=O)=O
CCN(CC(C)(C)O)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] CS(=O)(=O)[*:1] CCN(CC(C)(C)O)c1cccc(c1[N+](=O)[O-])[*:1]
CCN(CC(C)(C)O)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] CC(C)(O)C[*:1] CCN(c1cccc(c1[N+](=O)[O-])S(C)(=O)=O)[*:1]
CCN(CC(C)(C)O)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] CC(C)(O)[*:1] CCN(C[*:1])c1cccc(c1[N+](=O)[O-])S(C)(=O)=O
Cc1cc(NC(=O)CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 Cc1cc(no1)[*:1] CN(CC(=O)N[*:1])C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Cc1cc(NC(=O)CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] Cc1cc(no1)NC(=O)CN(C)C(=O)c1cc(cc(c1)[*:1])C(F)(F)F
Cc1cc(NC(=O)CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 Cc1cc(no1)NC(=O)[*:1] CN(C[*:1])C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COCc1cccc(NC(=O)NCc2sccc2C)c1 COC[*:1] Cc1ccsc1CNC(=O)Nc1cccc(c1)[*:1]
COCc1cccc(NC(=O)NCc2sccc2C)c1 Cc1ccsc1[*:1] COCc1cccc(c1)NC(=O)NC[*:1]
CC(C)C[C@H]1CN(c2ccn(C)n2)[C@H](C)C[NH2+]1 CC(C)[*:1] C[C@@H]1C[NH2+][C@H](CN1c1ccn(C)n1)C[*:1]
CC(C)C[C@H]1CN(c2ccn(C)n2)[C@H](C)C[NH2+]1 CC(C)C[*:1] C[C@@H]1C[NH2+][C@H](CN1c1ccn(C)n1)[*:1]
Cc1cc(NC(=O)N[C@@H](C)CCc2cccn2C)n(C)n1 Cc1cc(n(C)n1)[*:1] C[C@@H](CCc1cccn1C)NC(=O)N[*:1]
Cc1cc(NC(=O)N[C@@H](C)CCc2cccn2C)n(C)n1 Cn1cccc1[*:1] Cc1cc(NC(=O)N[C@@H](C)CC[*:1])n(C)n1
Cc1cc(NC(=O)N[C@@H](C)CCc2cccn2C)n(C)n1 Cn1cccc1C[*:1] Cc1cc(NC(=O)N[C@@H](C)C[*:1])n(C)n1
Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H](C)Oc1ccc(Br)cc1 Brc1ccc(cc1)O[*:1] Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H](C)[*:1]
Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H](C)Oc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H](C)O[*:1]
Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H](C)Oc1ccc(Br)cc1 Cc1cc(Br)ccc1[*:1] C[C@H](Oc1ccc(Br)cc1)C(=O)NCC(=O)N[*:1]
COc1ccc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)cc1OCC(F)(F)F FC(F)(F)C[*:1] COc1ccc(cc1O[*:1])NC(=O)N(C)[C@H](C)c1cccc(O)c1
COc1ccc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)cc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1ccc(cc1[*:1])NC(=O)N(C)[C@H](C)c1cccc(O)c1
COc1ccc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)cc1OCC(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1OC[*:1])NC(=O)N(C)[C@H](C)c1cccc(O)c1
COc1ccc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)cc1OCC(F)(F)F Oc1cccc(c1)[*:1] COc1ccc(cc1OCC(F)(F)F)NC(=O)N(C)[C@H](C)[*:1]
C[C@@H](Cn1cccn1)NC(=O)NCc1cccnc1OC1CCCC1 c1cnn(c1)C[*:1] C[C@@H](NC(=O)NCc1cccnc1OC1CCCC1)[*:1]
C[C@@H](Cn1cccn1)NC(=O)NCc1cccnc1OC1CCCC1 c1cnn(c1)[*:1] C[C@@H](C[*:1])NC(=O)NCc1cccnc1OC1CCCC1
C[C@@H](Cn1cccn1)NC(=O)NCc1cccnc1OC1CCCC1 C1CCC(C1)[*:1] C[C@@H](Cn1cccn1)NC(=O)NCc1cccnc1O[*:1]
C[C@@H](Cn1cccn1)NC(=O)NCc1cccnc1OC1CCCC1 C1CCC(C1)O[*:1] C[C@@H](Cn1cccn1)NC(=O)NCc1cccnc1[*:1]
CC[C@H](NC(=O)N(C)Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 Cc1ccc(C[*:1])s1 CC[C@H](NC(=O)N(C)[*:1])c1ccc2OCCOc2c1
CC[C@H](NC(=O)N(C)Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 Cc1ccc(s1)[*:1] CC[C@H](NC(=O)N(C)C[*:1])c1ccc2OCCOc2c1
CC[C@@](C)(NC(=O)Nc1c(C)cccc1Cl)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)Nc1c(C)cccc1Cl)[*:1]
Cc1ccsc1CNC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 Cc1ccsc1[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)NC[*:1]
Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)c(C)c1 C[C@H]1C[C@@H]1[*:1] Cc1ccc(c(C)c1)[C@H](C)NC(=O)[*:1]
O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(F)cc1Cl O=C(NC1CC1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(F)cc1Cl
O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(F)cc1Cl C1CC1[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1ccc(F)cc1Cl
Cc1nn(C)c2ncc(NC(=O)NCc3ccnc(OC4CCCC4)c3)cc12 C1CCC(C1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)NCc1ccnc(c1)O[*:1]
Cc1nn(C)c2ncc(NC(=O)NCc3ccnc(OC4CCCC4)c3)cc12 C1CCC(C1)O[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)NCc1ccnc(c1)[*:1]
COc1cccc2c(C)c(C(=O)Nc3cnn(CC(C)C)c3)oc12 CC(C)C[*:1] COc1cccc2c(C)c(oc12)C(=O)Nc1cnn(c1)[*:1]
COc1cccc2c(C)c(C(=O)Nc3cnn(CC(C)C)c3)oc12 CC(C)[*:1] COc1cccc2c(C)c(oc12)C(=O)Nc1cnn(c1)C[*:1]
CCN(Cc1ccccn1)C(=O)c1nn(-c2ccccc2)cc1OC c1ccc(C[*:1])nc1 CCN(C(=O)c1nn(cc1OC)-c1ccccc1)[*:1]
CCN(Cc1ccccn1)C(=O)c1nn(-c2ccccc2)cc1OC c1ccc(cc1)[*:1] CCN(Cc1ccccn1)C(=O)c1nn(cc1OC)[*:1]
CCN(Cc1ccccn1)C(=O)c1nn(-c2ccccc2)cc1OC c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1nn(cc1OC)-c1ccccc1
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(C)n(C2CC2)c1C C1CC1[*:1] Cc1ccc(cc1NC(=O)c1cc(C)n(c1C)C1CC1)C(=O)N[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(C)n(C2CC2)c1C O=C(NC1CC1)[*:1] Cc1ccc(cc1NC(=O)c1cc(C)n(c1C)C1CC1)[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(C)n(C2CC2)c1C C1CC1[*:1] Cc1ccc(cc1NC(=O)c1cc(C)n(c1C)[*:1])C(=O)NC1CC1
COc1ccc(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)COc2ccc3c4CCCc4c(=O)oc3c2)c(c1)[*:1]
COc1cccc(C(=O)N2CCN(c3nc(C4CC4)nc4sc5c(c34)CCCCC5)CC2)c1 C1CC1[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)c1nc(nc2sc3CCCCCc3c12)[*:1]
COc1cccc(C(=O)N2CCN(c3nc(C4CC4)nc4sc5c(c34)CCCCC5)CC2)c1 COc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1nc(nc2sc3CCCCCc3c12)C1CC1)[*:1]
O=C(COc1cccc(-n2cnnn2)c1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1cccc(c1)-n1cnnn1)NCC[*:1]
O=C(COc1cccc(-n2cnnn2)c1)NCCc1ccccc1 c1nnnn1[*:1] O=C(COc1cccc(c1)[*:1])NCCc1ccccc1
O=C(COc1cccc(-n2cnnn2)c1)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(COc1cccc(c1)-n1cnnn1)NC[*:1]
O=C(COc1cccc(-n2cnnn2)c1)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(COc1cccc(c1)-n1cnnn1)N[*:1]
COC(=O)CC1(NC(=O)c2cccc(Oc3ccncc3)c2)CCOCC1 COC(=O)[*:1] O=C(NC1(CCOCC1)C[*:1])c1cccc(c1)Oc1ccncc1
COC(=O)CC1(NC(=O)c2cccc(Oc3ccncc3)c2)CCOCC1 c1cc(ccn1)O[*:1] COC(=O)CC1(CCOCC1)NC(=O)c1cccc(c1)[*:1]
COC(=O)CC1(NC(=O)c2cccc(Oc3ccncc3)c2)CCOCC1 COC(=O)C[*:1] O=C(NC1(CCOCC1)[*:1])c1cccc(c1)Oc1ccncc1
COC(=O)CC1(NC(=O)c2cccc(Oc3ccncc3)c2)CCOCC1 c1cc(ccn1)[*:1] COC(=O)CC1(CCOCC1)NC(=O)c1cccc(c1)O[*:1]
[NH3+][C@H](CC[C@H]1CCOC2(CCOCC2)C1)c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@H](CC[C@H]1CCOC2(CCOCC2)C1)[*:1]
CCCN1C(=O)C([O-])=C(C(C)=O)[C@@H]1c1cccc(F)c1 CC(=O)[*:1] CCCN1C(=O)C([O-])=C([C@@H]1c1cccc(F)c1)[*:1]
CCCN1C(=O)C([O-])=C(C(C)=O)[C@@H]1c1cccc(F)c1 CCC[*:1] CC(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(F)c1)[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccccn1 c1ccc(nc1)[*:1] C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccccn1 C#CCO[*:1] O=C(NCc1ccccn1)C(=O)Nc1ccc(F)cc1[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccccn1 c1ccc(C[*:1])nc1 C#CCOc1cc(F)ccc1NC(=O)C(=O)N[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccccn1 C#CC[*:1] O=C(NCc1ccccn1)C(=O)Nc1ccc(F)cc1O[*:1]
Cc1n[nH]c(=O)c2c(NC(=O)C[NH+](Cc3ccc(F)cc3)C3CC3)oc(C)c12 Fc1ccc(cc1)C[*:1] Cc1n[nH]c(=O)c2c(NC(=O)C[NH+](C3CC3)[*:1])oc(C)c12
Cc1n[nH]c(=O)c2c(NC(=O)C[NH+](Cc3ccc(F)cc3)C3CC3)oc(C)c12 Fc1ccc(cc1)[*:1] Cc1n[nH]c(=O)c2c(NC(=O)C[NH+](C[*:1])C3CC3)oc(C)c12
Cc1n[nH]c(=O)c2c(NC(=O)C[NH+](Cc3ccc(F)cc3)C3CC3)oc(C)c12 C1CC1[*:1] Cc1n[nH]c(=O)c2c(NC(=O)C[NH+](Cc3ccc(F)cc3)[*:1])oc(C)c12
CC(C)Oc1cccc([C@@H](O)c2cscc2Br)c1 Brc1cscc1[*:1] CC(C)Oc1cccc(c1)[C@@H](O)[*:1]
CC(C)Oc1cccc([C@@H](O)c2cscc2Br)c1 CC(C)[*:1] O[C@H](c1cccc(c1)O[*:1])c1cscc1Br
CC(C)Oc1cccc([C@@H](O)c2cscc2Br)c1 CC(C)O[*:1] O[C@H](c1cccc(c1)[*:1])c1cscc1Br
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 c1cncc(c1)C[*:1] C[C@H](C(=O)Nc1ccc2OCOc2c1)N(C(=O)Cn1nnc2ccccc21)[*:1]
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 c1ccc2c(c1)nnn2C[*:1] C[C@H](C(=O)Nc1ccc2OCOc2c1)N(Cc1cccnc1)C(=O)[*:1]
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 c1cncc(c1)[*:1] C[C@H](C(=O)Nc1ccc2OCOc2c1)N(C[*:1])C(=O)Cn1nnc2ccccc21
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 c1cc2OCOc2cc1[*:1] C[C@H](C(=O)N[*:1])N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 c1ccc2c(c1)nnn2[*:1] C[C@H](C(=O)Nc1ccc2OCOc2c1)N(Cc1cccnc1)C(=O)C[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1CCN1CCOCC1 C1CN(CCO1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1CC[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1CCN1CCOCC1 c1cncc(c1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](N1CCN1CCOCC1)[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1CCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1CCN1CCOCC1 C1CN(CCO1)C[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1C[*:1]
C=CCNC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 C=CC[*:1] COc1ccccc1N1CC[C@@H](CNC(=O)N[*:1])C1
C=CCNC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 C=CCNC(=O)N[*:1] COc1ccccc1N1CC[C@H](C1)C[*:1]
N#CC1=C(N)O[C@H]2[C@H](C(c3ccco3)=NN2c2ccccc2)[C@H]1[C@@H]1C=NN=C1c1ccccc1 c1ccc(cc1)[*:1] N#CC1=C(N)O[C@H]2[C@H](C(=NN2[*:1])c2ccco2)[C@H]1[C@@H]1C=NN=C1c1ccccc1
N#CC1=C(N)O[C@H]2[C@H](C(c3ccco3)=NN2c2ccccc2)[C@H]1[C@@H]1C=NN=C1c1ccccc1 c1ccc(cc1)[*:1] N#CC1=C(N)O[C@H]2[C@H](C(=NN2c2ccccc2)c2ccco2)[C@H]1[C@@H]1C=NN=C1[*:1]
N#CC1=C(N)O[C@H]2[C@H](C(c3ccco3)=NN2c2ccccc2)[C@H]1[C@@H]1C=NN=C1c1ccccc1 c1coc(c1)[*:1] N#CC1=C(N)O[C@H]2[C@H](C(=NN2c2ccccc2)[*:1])[C@H]1[C@@H]1C=NN=C1c1ccccc1
CC[NH2+][C@@H](Cc1ccc(Br)s1)c1ncc[nH]1 c1c[nH]c(n1)[*:1] CC[NH2+][C@@H](Cc1ccc(Br)s1)[*:1]
COC(=O)c1ccoc1C[NH+]1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] COC(=O)c1ccoc1C[NH+]1CCN(CC1)[*:1]
COC(=O)c1ccoc1C[NH+]1CCN(c2ncccc2F)CC1 COC(=O)[*:1] Fc1cccnc1N1CC[NH+](CC1)Cc1occc1[*:1]
O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCc2ccccc2C1 c1csc(c1)[*:1] O=C(c1ccc(cc1)[N-]S(=O)(=O)[*:1])N1CCc2ccccc2C1
CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3cccc(OC(F)F)c3)nc21 FC(F)[*:1] CCn1c(=S)[nH]c(=O)c2c(cc(nc21)-c1cccc(c1)O[*:1])C(=O)OC
CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3cccc(OC(F)F)c3)nc21 FC(F)O[*:1] CCn1c(=S)[nH]c(=O)c2c(cc(nc21)-c1cccc(c1)[*:1])C(=O)OC
CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3cccc(OC(F)F)c3)nc21 COC(=O)[*:1] CCn1c(=S)[nH]c(=O)c2c(cc(nc21)-c1cccc(c1)OC(F)F)[*:1]
CC[C@H]1CCN(C(=O)Nc2cccc(CS(=O)(=O)N[C@H](C)CC)c2)C1 CC[C@@H](C)NS(=O)(=O)[*:1] CC[C@H]1CCN(C1)C(=O)Nc1cccc(c1)C[*:1]
CC[C@H]1CCN(C(=O)Nc2cccc(CS(=O)(=O)N[C@H](C)CC)c2)C1 CC[C@@H](C)[*:1] CC[C@H]1CCN(C1)C(=O)Nc1cccc(c1)CS(=O)(=O)N[*:1]
COc1ccc2oc(C(=O)OCC(=O)Nc3ccc4c(c3)CCC4)c(C)c2c1 c1cc2CCCc2cc1[*:1] COc1ccc2oc(C(=O)OCC(=O)N[*:1])c(C)c2c1
CCCOc1ccccc1NC(=O)[C@@H]1CC[C@@H](C[NH3+])O1 CCCO[*:1] [NH3+]C[C@@H]1CC[C@H](O1)C(=O)Nc1ccccc1[*:1]
CCCOc1ccccc1NC(=O)[C@@H]1CC[C@@H](C[NH3+])O1 CCC[*:1] [NH3+]C[C@@H]1CC[C@H](O1)C(=O)Nc1ccccc1O[*:1]
Cn1cnc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)n1 Cn1cnc(C[*:1])n1 O=C(N[C@@H]1CCc2cc(Cl)ccc21)N[*:1]
Cn1cnc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])N[C@@H]1CCc2cc(Cl)ccc21
CCCCOc1ccc(-c2nc(C)c(C(=O)[O-])s2)cc1 CCCCO[*:1] Cc1nc(sc1C(=O)[O-])-c1ccc(cc1)[*:1]
CCCCOc1ccc(-c2nc(C)c(C(=O)[O-])s2)cc1 O=C([O-])[*:1] CCCCOc1ccc(cc1)-c1nc(C)c(s1)[*:1]
CCCCOc1ccc(-c2nc(C)c(C(=O)[O-])s2)cc1 CCCC[*:1] Cc1nc(sc1C(=O)[O-])-c1ccc(cc1)O[*:1]
CCCCOc1ccc(-c2nc(C)c(C(=O)[O-])s2)cc1 CCC[*:1] Cc1nc(sc1C(=O)[O-])-c1ccc(cc1)OC[*:1]
COc1ccccc1CN1CCN(C(=O)c2cccc(CC#N)c2)CC1 COc1ccccc1[*:1] N#CCc1cccc(c1)C(=O)N1CCN(CC1)C[*:1]
COc1ccccc1CN1CCN(C(=O)c2cccc(CC#N)c2)CC1 N#CC[*:1] COc1ccccc1CN1CCN(CC1)C(=O)c1cccc(c1)[*:1]
O=C(/C=C/c1ccc(Br)s1)Nc1ccc(F)cc1Cl Brc1ccc(s1)[*:1] O=C(C=C[*:1])Nc1ccc(F)cc1Cl
Cc1ccc2nc(NC(=O)c3ccc[nH]3)sc2c1 c1c[nH]c(c1)[*:1] Cc1ccc2nc(NC(=O)[*:1])sc2c1
CC(C)c1nccn1Cc1cccc(NC(=O)/C=C/c2cnn(C)c2)c1 CC(C)c1nccn1[*:1] Cn1cc(/C=C/C(=O)Nc2cccc(c2)C[*:1])cn1
CC(C)c1nccn1Cc1cccc(NC(=O)/C=C/c2cnn(C)c2)c1 Cn1cc(cn1)[*:1] CC(C)c1nccn1Cc1cccc(c1)NC(=O)C=C[*:1]
CC(C)c1nccn1Cc1cccc(NC(=O)/C=C/c2cnn(C)c2)c1 CC(C)[*:1] Cn1cc(/C=C/C(=O)Nc2cccc(c2)Cn2ccnc2[*:1])cn1
CC(C)c1nccn1Cc1cccc(NC(=O)/C=C/c2cnn(C)c2)c1 Cn1cc(C=C[*:1])cn1 CC(C)c1nccn1Cc1cccc(c1)NC(=O)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)C(=O)NCc1ccc(Cl)cc1)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)C(=O)NC[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)C[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)C(=O)N[*:1]
CCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cnn1-c1cccc(Cl)c1 CS(=O)(=O)[*:1] CCc1c(cnn1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
CCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1c(cnn1[*:1])C(=O)Nc1ccc(cc1)S(C)(=O)=O
CC(C)(CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1)N1CCOCC1 C1CO[C@@H](C1)CO[*:1] CC(C)(CNC(=O)c1cccc(c1)[*:1])N1CCOCC1
CC(C)(CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)c1cccc(c1)OC[C@@H]1CCCO1)[*:1]
CCOCCNC(=O)NCc1ncc(C)c(OC)c1C CCOC[*:1] COc1c(C)cnc(CNC(=O)NC[*:1])c1C
CCOCCNC(=O)NCc1ncc(C)c(OC)c1C CCO[*:1] COc1c(C)cnc(CNC(=O)NCC[*:1])c1C
CCOCCNC(=O)NCc1ncc(C)c(OC)c1C CCOCC[*:1] COc1c(C)cnc(CNC(=O)N[*:1])c1C
NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccs1 c1csc(c1)[*:1] NC(=S)N1N=C(C[C@H]1[*:1])c1ccc(Cl)cc1
CCN(Cc1ccccn1)C(=O)[C@H](C)Sc1ccccc1 c1ccc(cc1)S[*:1] CCN(Cc1ccccn1)C(=O)[C@H](C)[*:1]
CCN(Cc1ccccn1)C(=O)[C@H](C)Sc1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1ccccn1)C(=O)[C@H](C)S[*:1]
CCN(Cc1ccccn1)C(=O)[C@H](C)Sc1ccccc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)[C@H](C)Sc1ccccc1
CCN(Cc1ccccn1)C(=O)[C@H](C)Sc1ccccc1 c1ccc(C[*:1])nc1 CCN(C(=O)[C@H](C)Sc1ccccc1)[*:1]
C/C(=C\C(=O)NCc1ccco1)NNC(=O)c1ccccc1 c1coc(c1)[*:1] C/C(=C\C(=O)NC[*:1])NNC(=O)c1ccccc1
C/C(=C\C(=O)NCc1ccco1)NNC(=O)c1ccccc1 c1coc(c1)C[*:1] C/C(=C\C(=O)N[*:1])NNC(=O)c1ccccc1
C/C(=C\C(=O)NCc1ccco1)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] C/C(=C\C(=O)NCc1ccco1)NNC(=O)[*:1]
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] O=C(NNc1cccc(c1)[N+](=O)[O-])Nc1cccc(c1)[*:1]
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cccc(N2CCCC2)c1 O=[N+]([O-])[*:1] O=C(NNc1cccc(c1)[*:1])Nc1cccc(c1)N1CCCC1
CC(C)[C@H](Sc1ccccc1)n1nc2ccccc2n1 CC(C)[*:1] c1ccc(cc1)S[C@H](n1nc2ccccc2n1)[*:1]
CC(C)[C@H](Sc1ccccc1)n1nc2ccccc2n1 c1ccc(cc1)[*:1] CC(C)[C@H](S[*:1])n1nc2ccccc2n1
Cc1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2ccccc23)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])[C@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12
Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H]1CCc2ccccc21 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)N[C@@H]1CCc2ccccc21)[*:1]
CCCCn1nnc(NC(=S)NC(=O)c2ccccc2Cl)n1 CCCC[*:1] O=C(NC(=S)Nc1nnn(n1)[*:1])c1ccccc1Cl
CCCCn1nnc(NC(=S)NC(=O)c2ccccc2Cl)n1 Clc1ccccc1[*:1] CCCCn1nnc(n1)NC(=S)NC(=O)[*:1]
CCCCn1nnc(NC(=S)NC(=O)c2ccccc2Cl)n1 CCC[*:1] O=C(NC(=S)Nc1nnn(C[*:1])n1)c1ccccc1Cl
CCc1ccccc1NC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 CCc1ccccc1[*:1] O=C(CCSCc1nc2sc3CCCc3c2c(=O)[nH]1)N[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 CC(C)C(=O)NC[*:1] O=C(Cc1ccc[nH]1)N1CCC[C@@H](C1)[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 CC(C)[*:1] O=C(Cc1ccc[nH]1)N1CCC[C@H](CNC(=O)[*:1])C1
CC(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 c1c[nH]c(c1)C[*:1] CC(C)C(=O)NC[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 c1c[nH]c(c1)[*:1] CC(C)C(=O)NC[C@H]1CCCN(C1)C(=O)C[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 CC(C)C(=O)N[*:1] O=C(Cc1ccc[nH]1)N1CCC[C@@H](C1)C[*:1]
CC[NH+]1C/C(=C\c2ccccc2C)c2nc3ccccc3c(C(=O)[O-])c2C1 Cc1ccccc1[*:1] CC[NH+]1CC(=C[*:1])c2nc3ccccc3c(C(=O)[O-])c2C1
CC[NH+]1C/C(=C\c2ccccc2C)c2nc3ccccc3c(C(=O)[O-])c2C1 O=C([O-])[*:1] CC[NH+]1C/C(=C\c2ccccc2C)c2nc3ccccc3c(c2C1)[*:1]
O=C(NCc1ccccn1)[C@H]1NC(C2=CC3=CC=N[C@H]3C=C2)=NO1 c1ccc(nc1)[*:1] O=C(NC[*:1])[C@H]1NC(=NO1)C1C=C[C@@H]2N=CC=C2C=1
O=C(NCc1ccccn1)[C@H]1NC(C2=CC3=CC=N[C@H]3C=C2)=NO1 c1ccc(C[*:1])nc1 O=C(N[*:1])[C@H]1NC(=NO1)C1C=C[C@@H]2N=CC=C2C=1
C=CC[NH+]1CCC(N/C(NCc2cc(F)ccc2F)=[NH+]\C)CC1 C=CC[*:1] C/[NH+]=C(/NCc1cc(F)ccc1F)NC1CC[NH+](CC1)[*:1]
CCSc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 CCS[*:1] O=C(Nc1nnc(s1)[*:1])c1sc2ccccc2c1Cl
C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc2sccc2c(=O)n1C C=CC[*:1] C=CCN(C(=O)[C@@H](C)Sc1nc2sccc2c(=O)n1C)[*:1]
O=C(NCc1nncn1-c1ccccc1)c1ccc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C(NCc1nncn1-c1ccccc1)c1ccc(o1)[*:1]
O=C(NCc1nncn1-c1ccccc1)c1ccc(-c2ccc(F)cc2)o1 c1ccc(cc1)[*:1] O=C(NCc1nncn1[*:1])c1ccc(o1)-c1ccc(F)cc1
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1)[*:1]
CSC(C)(C)CNC(=O)[C@@H]1SCCc2ccccc21 CSC(C)(C)[*:1] O=C(NC[*:1])[C@@H]1SCCc2ccccc21
CSC(C)(C)CNC(=O)[C@@H]1SCCc2ccccc21 CSC(C)(C)C[*:1] O=C(N[*:1])[C@@H]1SCCc2ccccc21
COc1ccc([C@@H](O)[C@H](C)NC(=O)Nc2ccc(OC)c(C)c2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1C)NC(=O)N[C@@H](C)[C@H](O)[*:1]
O=C1N[C@H](c2cnc[nH]2)N2CCCC[C@@H]12 c1ncc([nH]1)[*:1] O=C1N[C@H](N2CCCC[C@@H]12)[*:1]
CCOC(=O)/C(C#N)=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1 CCOC(=O)[*:1] N#CC(=CN1CCN(CC1)C(c1ccccc1)c1ccccc1)[*:1]
CCOC(=O)/C(C#N)=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)/C(C#N)=C/N1CCN(CC1)C(c1ccccc1)[*:1]
CCOC(=O)/C(C#N)=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1 CCOC(=O)C(C#N)=C[*:1] c1ccc(cc1)C(c1ccccc1)N1CCN(CC1)[*:1]
Cc1c(C)n(-c2cccnc2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 c1ccc2sc(nc2c1)[*:1] Cc1c(C)n(-c2cccnc2)c2ncn3nc(CS[*:1])nc3c12
Cc1c(C)n(-c2cccnc2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 c1ccc2sc(nc2c1)S[*:1] Cc1c(C)n(-c2cccnc2)c2ncn3nc(C[*:1])nc3c12
Cc1c(C)n(-c2cccnc2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 c1cncc(c1)[*:1] Cc1c(C)n(c2ncn3nc(CSc4nc5ccccc5s4)nc3c12)[*:1]
Cc1ccn(CCC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)n1 C1CC(C1)[*:1] Cc1ccn(CCC(=O)N2CC[C@@H](C2)c2nc3CN(CCc3c(=O)[nH]2)C(=O)[*:1])n1
Cc1ccn(CCC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)n1 Cc1ccn(n1)[*:1] O=C(CC[*:1])N1CC[C@@H](C1)c1nc2CN(CCc2c(=O)[nH]1)C(=O)C1CCC1
Cc1ccn(CCC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)n1 Cc1ccn(CC[*:1])n1 O=C(C1CCC1)N1CCc2c(C1)nc([nH]c2=O)[C@H]1CCN(C1)C(=O)[*:1]
Cc1ccn(CCC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)n1 Cc1ccn(C[*:1])n1 O=C(C[*:1])N1CC[C@@H](C1)c1nc2CN(CCc2c(=O)[nH]1)C(=O)C1CCC1
O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 c1ccc(cc1)[*:1] O=C(c1cn(nc1-c1ccccc1)[*:1])N1CCN(CC1)C[C@H]1CCCO1
O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 c1ccc(cc1)[*:1] O=C(c1cn(nc1[*:1])-c1ccccc1)N1CCN(CC1)C[C@H]1CCCO1
O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(I)cn1 Ic1ccc(nc1)[*:1] O=C(CSc1nnnn1-c1ccc(Cl)cc1)N[*:1]
O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(I)cn1 Clc1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])Nc1ccc(I)cn1
O=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c(=O)c2ccccc12 C1CCN(CC1)[*:1] O=C(Nc1ccc(nc1)[*:1])c1n[nH]c(=O)c2ccccc12
C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](OC(=O)c1c2CCCCc2nc2ccccc12)C(=O)N[*:1]
O=C(c1csc(Nc2ccc(OC(F)(F)F)cc2)n1)N1CCN(C(=O)c2ccco2)CC1 FC(F)(F)O[*:1] O=C(c1csc(n1)Nc1ccc(cc1)[*:1])N1CCN(CC1)C(=O)c1ccco1
O=C(c1csc(Nc2ccc(OC(F)(F)F)cc2)n1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(c1csc(n1)Nc1ccc(cc1)OC(F)(F)F)N1CCN(CC1)C(=O)[*:1]
O=C(c1csc(Nc2ccc(OC(F)(F)F)cc2)n1)N1CCN(C(=O)c2ccco2)CC1 FC(F)(F)[*:1] O=C(c1csc(n1)Nc1ccc(cc1)O[*:1])N1CCN(CC1)C(=O)c1ccco1
CC(C)[C@@H](Sc1nncs1)C(=O)N1CCC[C@H](C)C1 CC(C)[*:1] C[C@H]1CCCN(C1)C(=O)[C@H](Sc1nncs1)[*:1]
CC(C)[C@@H](Sc1nncs1)C(=O)N1CCC[C@H](C)C1 c1nnc(S[*:1])s1 CC(C)[C@@H](C(=O)N1CCC[C@H](C)C1)[*:1]
CC(C)[C@@H](Sc1nncs1)C(=O)N1CCC[C@H](C)C1 c1nnc(s1)[*:1] CC(C)[C@@H](S[*:1])C(=O)N1CCC[C@H](C)C1
CC(C)CNC(=O)c1cn(C2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)nn1 CC(C)CNC(=O)[*:1] O=C([C@@H]1Cc2ccccc2O1)N1CCC(CC1)n1cc(nn1)[*:1]
CC(C)CNC(=O)c1cn(C2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)nn1 CC(C)C[*:1] O=C(N[*:1])c1cn(nn1)C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2O1
CC(C)CNC(=O)c1cn(C2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)nn1 CC(C)[*:1] O=C(NC[*:1])c1cn(nn1)C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2O1
Cc1cnc(CN2CCN(c3cccc(F)c3C#N)CC2)o1 Cc1cnc(C[*:1])o1 N#Cc1c(F)cccc1N1CCN(CC1)[*:1]
Cc1cnc(CN2CCN(c3cccc(F)c3C#N)CC2)o1 Cc1cnc(o1)[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C[*:1]
O=C(NC1=NCCS1)c1cccc(OCC(F)F)n1 FC(F)C[*:1] O=C(NC1=NCCS1)c1cccc(n1)O[*:1]
O=C(NC1=NCCS1)c1cccc(OCC(F)F)n1 FC(F)[*:1] O=C(NC1=NCCS1)c1cccc(n1)OC[*:1]
O=C(NC1=NCCS1)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] O=C(NC1=NCCS1)c1cccc(n1)[*:1]
C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)CCN1CCOC1=O O=C1OCCN1[*:1] C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)CC[*:1]
C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)CCN1CCOC1=O O=C1OCCN1C[*:1] C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)C[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1 FC(F)(F)O[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1ccc(cc1)OC(F)(F)F
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@H](C)c1ccc(cc1)O[*:1]
CCc1nn(C)cc1/C([O-])=N/S(=O)(=O)Cc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CCc1nn(C)cc1/C([O-])=N/S(=O)(=O)C[*:1]
Cc1c(NC(=O)C2C[C@H](C)O[C@@H](C)C2)cccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1c(cccc1[*:1])NC(=O)C1C[C@H](C)O[C@@H](C)C1
Cc1ccc(C(=O)OCC(F)(F)F)cc1NC(=O)OC(C)(C)C FC(F)(F)C[*:1] Cc1ccc(cc1NC(=O)OC(C)(C)C)C(=O)O[*:1]
Cc1ccc(C(=O)OCC(F)(F)F)cc1NC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)O[*:1])C(=O)OCC(F)(F)F
Cc1ccc(C(=O)OCC(F)(F)F)cc1NC(=O)OC(C)(C)C FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)OC(C)(C)C)C(=O)OC[*:1]
C#CCOC(=O)C[C@H](C)c1ccc(OC)cc1 C#CC[*:1] COc1ccc(cc1)[C@@H](C)CC(=O)O[*:1]
Cc1c[nH+]c(N2CCN(CCn3c(C)ccc3C)CC2)nc1N(C)C Cc1ccc(C)n1[*:1] Cc1c[nH+]c(nc1N(C)C)N1CCN(CC1)CC[*:1]
Cc1c[nH+]c(N2CCN(CCn3c(C)ccc3C)CC2)nc1N(C)C CN(C)[*:1] Cc1c[nH+]c(nc1[*:1])N1CCN(CC1)CCn1c(C)ccc1C
Cc1c[nH+]c(N2CCN(CCn3c(C)ccc3C)CC2)nc1N(C)C Cc1ccc(C)n1C[*:1] Cc1c[nH+]c(nc1N(C)C)N1CCN(CC1)C[*:1]
CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)[O-] Clc1ccc(c(Cl)c1)[*:1] CC(=O)N[C@@H](CS[C@H]1CC(=O)N(C1=O)[*:1])C(=O)[O-]
CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H](CS[C@H]1CC(=O)N(C1=O)c1ccc(Cl)cc1Cl)[*:1]
CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)C(=O)[O-] CC(=O)N[*:1] O=C([O-])[C@H](CS[C@H]1CC(=O)N(C1=O)c1ccc(Cl)cc1Cl)[*:1]
CCCCCS(=O)(=O)N1CCN(C(=O)Cc2ccon2)CC1 CCCCC[*:1] O=C(Cc1ccon1)N1CCN(CC1)S(=O)(=O)[*:1]
CCCCCS(=O)(=O)N1CCN(C(=O)Cc2ccon2)CC1 CCCC[*:1] O=C(Cc1ccon1)N1CCN(CC1)S(=O)(=O)C[*:1]
CCCCCS(=O)(=O)N1CCN(C(=O)Cc2ccon2)CC1 c1cc(C[*:1])no1 CCCCCS(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CCCCCS(=O)(=O)N1CCN(C(=O)Cc2ccon2)CC1 CCC[*:1] O=C(Cc1ccon1)N1CCN(CC1)S(=O)(=O)CC[*:1]
CCCCCS(=O)(=O)N1CCN(C(=O)Cc2ccon2)CC1 c1cc(no1)[*:1] CCCCCS(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc(Cl)ccc1Cl O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])c1nc(Cl)ccc1Cl
Nc1cccc2oc(NCCCc3ccccc3)nc12 c1ccc(cc1)[*:1] Nc1cccc2oc(nc12)NCCC[*:1]
CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Cl)nc2)C(C)C)cc1 Clc1ccc(cn1)[*:1] CC(C)c1ccc(cc1)[C@H](NC(=O)C(=O)N[*:1])C(C)C
CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Cl)nc2)C(C)C)cc1 CC(C)[*:1] CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccc(cc1)[*:1]
CC(C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(Cl)nc2)C(C)C)cc1 CC(C)[*:1] CC(C)c1ccc(cc1)[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)[*:1]
CCC(C)(C)C(=O)N1CCC(Nc2ccccc2OC)CC1 CCC(C)(C)[*:1] COc1ccccc1NC1CCN(CC1)C(=O)[*:1]
O=S(=O)(N[C@H]1CCC[C@@H](O)C1)C1CC1 C1CC1[*:1] O=S(=O)(N[C@H]1CCC[C@@H](O)C1)[*:1]
CCC[NH2+]CC/C=C(/C)c1cccc(C)c1C CCC[*:1] C/C(=C/CC[NH2+][*:1])c1cccc(C)c1C
CN(C)C(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 CN(C)C(=O)[*:1] O=C(COc1ccc(cc1)C(=O)c1ccc(Cl)cc1)Nc1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 O=C(c1ccc(Cl)cc1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)COc1ccc(cc1)[*:1]
CN(C)C(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 Clc1ccc(cc1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)COc1ccc(cc1)C(=O)[*:1]
COC[C@@H](C)CC(=O)N(C)[C@@H](C)/C(N)=N/O N/C(=N\O)[*:1] COC[C@@H](C)CC(=O)N(C)[C@@H](C)[*:1]
COC[C@@H](C)CC(=O)N(C)[C@@H](C)/C(N)=N/O COC[*:1] C[C@@H](/C(N)=N/O)N(C)C(=O)C[C@H](C)[*:1]
COC[C@@H](C)CC(=O)N(C)[C@@H](C)/C(N)=N/O COC[C@@H](C)[*:1] C[C@@H](/C(N)=N/O)N(C)C(=O)C[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2ccccn2)C1 NC(=O)[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)Sc1ccccn1)[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)S[*:1])C(N)=O
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2ccccn2)C1 CC(C)[*:1] NC(=O)[C@@]1(CC[C@@H](C1)Sc1ccccn1)[NH2+][*:1]
Cc1ccc([N-]S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c(C)[nH+]1 O=C([O-])[*:1] Cc1ccc([N-]S(=O)(=O)N2CCCC[C@H]2[*:1])c(C)[nH+]1
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-] CC[C@H](C)[*:1] O=C(N[C@H](C(=O)[O-])[*:1])[C@@H]1CCC[NH2+]1
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[NH2+]1)[*:1]
COc1ccc(Cc2nnc(S[C@H](C)c3cccc(C)c3)o2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)Cc1nnc(o1)S[C@H](C)[*:1]
COc1ccc(Cc2nnc(S[C@H](C)c3cccc(C)c3)o2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)[C@@H](C)Sc1nnc(C[*:1])o1
CC(C)NC(=O)[C@H](C)Sc1c(Cl)cccc1Cl CC(C)[*:1] C[C@H](Sc1c(Cl)cccc1Cl)C(=O)N[*:1]
C[C@@]1(CO)CCCN(C(=O)Cc2cccc(OCc3cccnc3)c2)C1 c1cncc(c1)CO[*:1] C[C@@]1(CO)CCCN(C1)C(=O)Cc1cccc(c1)[*:1]
C[C@@]1(CO)CCCN(C(=O)Cc2cccc(OCc3cccnc3)c2)C1 c1cncc(c1)C[*:1] C[C@@]1(CO)CCCN(C1)C(=O)Cc1cccc(c1)O[*:1]
C[C@@]1(CO)CCCN(C(=O)Cc2cccc(OCc3cccnc3)c2)C1 c1cncc(c1)[*:1] C[C@@]1(CO)CCCN(C1)C(=O)Cc1cccc(c1)OC[*:1]
Brc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2 c1ccc(cc1)[*:1] Brc1ccc2N[C@@H]([C@@H]3CCCO[C@@H]3c2c1)[*:1]
C[NH+](C)CCc1nc(Nc2ccc(O)c(C(=O)[O-])c2)c2ccccc2n1 O=C([O-])[*:1] C[NH+](C)CCc1nc(Nc2ccc(O)c(c2)[*:1])c2ccccc2n1
CC(C)c1ccc([C@@H](O)CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1[*:1]
CC(C)c1ccc([C@@H](O)CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 CC(C)[*:1] CN1C(=O)CC[C@@H](C(=O)NC[C@H](O)c2ccc(cc2)[*:1])[C@H]1c1ccc(F)cc1
CC(C)c1ccc([C@@H](O)CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 CC(C)c1ccc(cc1)[*:1] CN1C(=O)CC[C@@H](C(=O)NC[C@H](O)[*:1])[C@H]1c1ccc(F)cc1
CCN(c1ccsc1C(=O)Nc1cccc(C(N)=O)c1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(c1ccsc1C(=O)Nc1cccc(c1)C(N)=O)S(=O)(=O)[*:1]
CCN(c1ccsc1C(=O)Nc1cccc(C(N)=O)c1)S(=O)(=O)c1ccccc1 NC(=O)[*:1] CCN(c1ccsc1C(=O)Nc1cccc(c1)[*:1])S(=O)(=O)c1ccccc1
CCN(c1ccsc1C(=O)Nc1cccc(C(N)=O)c1)S(=O)(=O)c1ccccc1 NC(=O)c1cccc(c1)[*:1] CCN(c1ccsc1C(=O)N[*:1])S(=O)(=O)c1ccccc1
C[C@@H](NC(=O)NCc1cc2ccccc2o1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](NC(=O)NCc1cc2ccccc2o1)[*:1]
Cc1ncc(NC(=O)c2ccc(Br)o2)n1-c1nc(-c2ccc(F)cc2)cs1 Brc1ccc(o1)[*:1] Cc1ncc(NC(=O)[*:1])n1-c1nc(cs1)-c1ccc(F)cc1
Cc1ncc(NC(=O)c2ccc(Br)o2)n1-c1nc(-c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] Cc1ncc(NC(=O)c2ccc(Br)o2)n1-c1nc(cs1)[*:1]
Cc1ncc(NC(=O)c2ccc(Br)o2)n1-c1nc(-c2ccc(F)cc2)cs1 O=C(N[*:1])c1ccc(Br)o1 Cc1ncc(n1-c1nc(cs1)-c1ccc(F)cc1)[*:1]
O=C(COc1ccccc1Br)Nc1c(F)cc(F)cc1Br Brc1ccccc1[*:1] O=C(CO[*:1])Nc1c(F)cc(F)cc1Br
CCc1ccccc1OCC(=O)NNC(=O)c1cccc(N(C)C)c1 CCc1ccccc1[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)CO[*:1]
CCc1ccccc1OCC(=O)NNC(=O)c1cccc(N(C)C)c1 CN(C)[*:1] CCc1ccccc1OCC(=O)NNC(=O)c1cccc(c1)[*:1]
Cc1cc2nnc(S[C@H](C(=O)Nc3ccc(C)c(C)c3)C(C)C)n2c(C)n1 CC(C)[*:1] Cc1cc2nnc(S[C@H](C(=O)Nc3ccc(C)c(C)c3)[*:1])n2c(C)n1
Cc1cc2nnc(S[C@H](C(=O)Nc3ccc(C)c(C)c3)C(C)C)n2c(C)n1 Cc1ccc(cc1C)[*:1] Cc1cc2nnc(S[C@H](C(=O)N[*:1])C(C)C)n2c(C)n1
CC(C)c1noc([C@@H]2Cc3[nH]c[nH+]c3CN2C(=O)Nc2ccccc2)n1 CC(C)c1noc(n1)[*:1] O=C(Nc1ccccc1)N1Cc2[nH+]c[nH]c2C[C@H]1[*:1]
CC(C)c1noc([C@@H]2Cc3[nH]c[nH+]c3CN2C(=O)Nc2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)c1noc(n1)[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)N[*:1]
CC(C)c1noc([C@@H]2Cc3[nH]c[nH+]c3CN2C(=O)Nc2ccccc2)n1 CC(C)[*:1] O=C(Nc1ccccc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(no1)[*:1]
CC(C)c1csc(/C(C#N)=C\c2cnc(-c3ccccn3)s2)n1 c1ccc(nc1)[*:1] CC(C)c1csc(n1)/C(C#N)=C\c1cnc(s1)[*:1]
CC(C)c1csc(/C(C#N)=C\c2cnc(-c3ccccn3)s2)n1 CC(C)[*:1] N#C/C(=C/c1cnc(s1)-c1ccccn1)c1nc(cs1)[*:1]
O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NC1CC1 FC(F)(F)[*:1] O=C(CCNS(=O)(=O)c1ccc(Cl)c(c1)[*:1])NC1CC1
O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NC1CC1 O=C(C[*:1])NC1CC1 O=S(=O)(NC[*:1])c1ccc(Cl)c(c1)C(F)(F)F
O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NC1CC1 O=C(NC1CC1)[*:1] O=S(=O)(NCC[*:1])c1ccc(Cl)c(c1)C(F)(F)F
O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NC1CC1 C1CC1[*:1] O=C(CCNS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)N[*:1]
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCc2ccc(F)cc2)O1 CN(C)C(=O)[*:1] O=C(NCc1ccc(F)cc1)NC[C@@H]1CC[C@@H](O1)[*:1]
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCc2ccc(F)cc2)O1 Fc1ccc(cc1)[*:1] CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NC[*:1])O1
CCOC(=O)C1CCN(C(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCCC2)O4)CC1 CCOC(=O)[*:1] Cc1c(oc2ccc3OC4(CCCCC4)CC(=O)c3c12)C(=O)N1CCC(CC1)[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 CC(C)(C)[*:1] [NH3+]C1CCN(CC1)[C@@H]1CCN(C1)C(=O)O[*:1]
CC#CC[C@@H]([NH2+]C)[C@]1(N(C)C)CCC[C@H](C)C1 CN(C)[*:1] CC#CC[C@@H]([NH2+]C)[C@@]1(CCC[C@H](C)C1)[*:1]
CC#CC[C@@H]([NH2+]C)[C@]1(N(C)C)CCC[C@H](C)C1 CC#CC[*:1] C[NH2+][C@@H]([C@@]1(CCC[C@H](C)C1)N(C)C)[*:1]
CC#CC[C@@H]([NH2+]C)[C@]1(N(C)C)CCC[C@H](C)C1 CC#C[*:1] C[NH2+][C@H](C[*:1])[C@@]1(CCC[C@H](C)C1)N(C)C
O=C(CCc1ccco1)Nc1cccc(-c2nnc3n2CCCCC3)c1 c1coc(c1)C[*:1] O=C(C[*:1])Nc1cccc(c1)-c1nnc2CCCCCn21
O=C(CCc1ccco1)Nc1cccc(-c2nnc3n2CCCCC3)c1 c1coc(c1)[*:1] O=C(CC[*:1])Nc1cccc(c1)-c1nnc2CCCCCn21
O=C(CCc1ccco1)Nc1cccc(-c2nnc3n2CCCCC3)c1 c1coc(c1)CC[*:1] O=C(Nc1cccc(c1)-c1nnc2CCCCCn21)[*:1]
CCC(CC)NC(=O)c1cnn([C@H](C)CC)c1C1CC1 CCC(CC)[*:1] CC[C@@H](C)n1ncc(C(=O)N[*:1])c1C1CC1
CCC(CC)NC(=O)c1cnn([C@H](C)CC)c1C1CC1 C1CC1[*:1] CCC(CC)NC(=O)c1cnn(c1[*:1])[C@H](C)CC
CCC(CC)NC(=O)c1cnn([C@H](C)CC)c1C1CC1 CC[C@@H](C)[*:1] CCC(CC)NC(=O)c1cnn(c1C1CC1)[*:1]
CC(C)[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(C(C)(C)C)cc1 NS(=O)(=O)[*:1] CC(C)[C@H](NC(=O)c1cc(ccc1Br)[*:1])c1ccc(cc1)C(C)(C)C
CC(C)[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)[C@@H](NC(=O)c1cc(ccc1Br)S(N)(=O)=O)[*:1]
CC(C)[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)[C@H](NC(=O)c1cc(ccc1Br)S(N)(=O)=O)c1ccc(cc1)[*:1]
COc1cccc(-c2ccc(SCc3ccccn3)nn2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)-c1ccc(nn1)SC[*:1]
COc1cccc(-c2ccc(SCc3ccccn3)nn2)c1 c1ccc(C[*:1])nc1 COc1cccc(c1)-c1ccc(nn1)S[*:1]
O=[N+]([O-])c1ccccc1C[NH+]1CCC(CO)CC1 O=[N+]([O-])[*:1] OCC1CC[NH+](CC1)Cc1ccccc1[*:1]
Cc1cc(F)c([C@](C)(NC=O)C(=O)[O-])cc1F O=CN[*:1] Cc1cc(F)c(cc1F)[C@](C)(C(=O)[O-])[*:1]
Cc1cc(F)c([C@](C)(NC=O)C(=O)[O-])cc1F O=C([O-])[*:1] Cc1cc(F)c(cc1F)[C@](C)(NC=O)[*:1]
O=[N+]([O-])c1ccccc1CNCc1c[nH+]cn1C1CC1 C1CC1[*:1] O=[N+]([O-])c1ccccc1CNCc1c[nH+]cn1[*:1]
O=[N+]([O-])c1ccccc1CNCc1c[nH+]cn1C1CC1 O=[N+]([O-])[*:1] c1ccc(c(c1)CNCc1c[nH+]cn1C1CC1)[*:1]
CCc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])s1 O=C([O-])[*:1] CCc1ccc(s1)S(=O)(=O)N1CCC2(CC1)NC(=O)C[C@@H]2[*:1]
CCc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])s1 CCc1ccc(s1)[*:1] O=C1C[C@@H](C(=O)[O-])C2(CCN(CC2)S(=O)(=O)[*:1])N1
CC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 CC(=O)[*:1] S=C(Nc1ccc(cc1)[*:1])Nc1ccc2OCOc2c1
Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)/N=c1\[nH]c2ccccc2n1C1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cn1cc(cc1C(=O)/N=c1\[nH]c2ccccc2n1C1CCCCC1)[*:1]
Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)/N=c1\[nH]c2ccccc2n1C1CCCCC1 C1CCC(CC1)[*:1] Cn1cc(cc1C(=O)/N=c1\[nH]c2ccccc2n1[*:1])S(=O)(=O)N1CCCCC1
CC[C@H](C)[C@H](C)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 CC[C@H](C)[*:1] C[C@H]([NH2+]C1CCN(CC1)S(=O)(=O)C1CC1)[*:1]
CC[C@H](C)[C@H](C)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] CC[C@H](C)[C@H](C)[NH2+]C1CCN(CC1)S(=O)(=O)[*:1]
CSCCOC(=O)C1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1C c1csc(c1)[*:1] CSCCOC(=O)C1=NC2C[C@H](CC(=O)C=2[C@H]1C)[*:1]
CSCCOC(=O)C1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1C CSC[*:1] C[C@H]1C(=NC2C[C@@H](CC(=O)C=21)c1cccs1)C(=O)OC[*:1]
CSCCOC(=O)C1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1C CSCC[*:1] C[C@H]1C(=NC2C[C@@H](CC(=O)C=21)c1cccs1)C(=O)O[*:1]
CCc1nn(C)c(C(=O)N2CCO[C@H](c3nc(-c4cccc(OC)c4)no3)C2)c1C COc1cccc(c1)[*:1] CCc1nn(C)c(C(=O)N2CCO[C@@H](C2)c2nc(no2)[*:1])c1C
CCc1nn(C)c(C(=O)N2CCO[C@H](c3nc(-c4cccc(OC)c4)no3)C2)c1C CCc1nn(C)c(c1C)[*:1] COc1cccc(c1)-c1noc(n1)[C@@H]1CN(CCO1)C(=O)[*:1]
COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CC(C)(C)C)cc1 CC(C)(C)C[*:1] COc1ccc(cc1)CNC(=O)[C@@H](C#N)C(=O)[*:1]
COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CC(C)(C)C)cc1 CC(C)(C)CC(=O)[*:1] COc1ccc(cc1)CNC(=O)[C@@H](C#N)[*:1]
COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CC(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)CNC(=O)[C@@H](C#N)C(=O)C[*:1]
Cc1cc(NC(=O)CSc2cc(Br)ccc2N)on1 Cc1cc(on1)[*:1] Nc1ccc(Br)cc1SCC(=O)N[*:1]
CCC[NH+]1CCCN(C(=O)NCc2cc(Br)cs2)CC1 Brc1csc(c1)[*:1] CCC[NH+]1CCCN(CC1)C(=O)NC[*:1]
CCC[NH+]1CCCN(C(=O)NCc2cc(Br)cs2)CC1 CCC[*:1] O=C(NCc1cc(Br)cs1)N1CCC[NH+](CC1)[*:1]
N#Cc1ccc(NC(=O)NCC2([O-])CCC2)cc1Cl [O-]C1(CCC1)C[*:1] N#Cc1ccc(cc1Cl)NC(=O)N[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(N(C)C)[nH+]c1 CN(C)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc([nH+]c1)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(N(C)C)[nH+]c1 C[C@@H](O)C[*:1] C[C@@H](CNC(=O)Nc1ccc([nH+]c1)N(C)C)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(N(C)C)[nH+]c1 C[C@@H](O)C[C@@H](C)[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)NC[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(N(C)C)[nH+]c1 C[C@@H](O)[*:1] C[C@@H](CNC(=O)Nc1ccc([nH+]c1)N(C)C)C[*:1]
O=C(C1CCC1)N1CCc2c(nc([C@@H]3CCN(Cc4ccccc4F)C3)[nH]c2=O)C1 Fc1ccccc1C[*:1] O=C(C1CCC1)N1CCc2c(C1)nc([nH]c2=O)[C@@H]1CCN(C1)[*:1]
O=C(C1CCC1)N1CCc2c(nc([C@@H]3CCN(Cc4ccccc4F)C3)[nH]c2=O)C1 C1CC(C1)[*:1] O=C(N1CCc2c(C1)nc([nH]c2=O)[C@@H]1CCN(Cc2ccccc2F)C1)[*:1]
O=C(C1CCC1)N1CCc2c(nc([C@@H]3CCN(Cc4ccccc4F)C3)[nH]c2=O)C1 Fc1ccccc1[*:1] O=C(C1CCC1)N1CCc2c(C1)nc([nH]c2=O)[C@@H]1CCN(C1)C[*:1]
CCC[C@@H]1CN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CCO1 CC(C)(C)C(=O)N[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1ccccc1[*:1]
CCC[C@@H]1CN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CCO1 CCC[*:1] CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CCO1 CC(C)(C)[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1ccccc1NC(=O)[*:1]
CCC1(CNC(=O)N2CC3(CC3)c3ccccc32)CC1 CCC1(CC1)C[*:1] O=C(N[*:1])N1CC2(CC2)c2ccccc21
CCC1(CNC(=O)N2CC3(CC3)c3ccccc32)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])N1CC2(CC2)c2ccccc21
Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H](C)CC(C)(C)c1ccccc1 CC(C)(c1ccccc1)[*:1] Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H](C)C[*:1]
Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H](C)CC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H](C)CC(C)(C)[*:1]
CC(C)(C)c1ccc(C=C2C[NH2+]C2)cc1 CC(C)(C)[*:1] C(=C1C[NH2+]C1)c1ccc(cc1)[*:1]
C[C@]([NH2+]C[C@H]([O-])C(F)(F)F)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@]([NH2+]C[C@H]([O-])C(F)(F)F)(C(=O)[O-])[*:1]
C[C@]([NH2+]C[C@H]([O-])C(F)(F)F)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@]([NH2+]C[C@H]([O-])C(F)(F)F)(C(F)(F)F)[*:1]
C[C@]([NH2+]C[C@H]([O-])C(F)(F)F)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@]([NH2+]C[C@H]([O-])[*:1])(C(=O)[O-])C(F)(F)F
Cc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)c([O-])n2c(nc3ccccc32)c1C#N c1ccc2[nH]c(nc2c1)[*:1] Cc1c(C=C(C#N)[*:1])c([O-])n2c(nc3ccccc32)c1C#N
Cc1nc(NC[C@@H](O)c2ccccc2Cl)c2c([nH+]1)CC[NH2+]CC2 Clc1ccccc1[*:1] Cc1nc(NC[C@@H](O)[*:1])c2CC[NH2+]CCc2[nH+]1
COC(=O)[C@]12CC[C@H](CC1=O)C2(C)C COC(=O)[*:1] CC1(C)[C@@H]2CC[C@@]1(C(=O)C2)[*:1]
Cc1cccc(N2CCN(C(=O)C3=NN=C(c4ccc(F)cc4)C3)CC2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)C1CC(=NN=1)[*:1]
Cc1cccc(N2CCN(C(=O)C3=NN=C(c4ccc(F)cc4)C3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(C1CC(=NN=1)c1ccc(F)cc1)N1CCN(CC1)[*:1]
COc1cccc(CNC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1 FC(F)[*:1] COc1cccc(c1)CNC(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
COc1cccc(CNC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(cc1)OC(F)F
COc1cccc(CNC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1 FC(F)O[*:1] COc1cccc(c1)CNC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC(C)=C[C@H]1[C@@H](/C([O-])=N/S(=O)(=O)c2ccccc2C)C1(C)C Cc1ccccc1[*:1] CC(C)=C[C@H]1[C@@H](/C([O-])=N/S(=O)(=O)[*:1])C1(C)C
CC(C)=C[C@H]1[C@@H](/C([O-])=N/S(=O)(=O)c2ccccc2C)C1(C)C CC(C)=C[*:1] Cc1ccccc1S(=O)(=O)/N=C(\[O-])[C@@H]1[C@@H](C1(C)C)[*:1]
Cc1csc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1 Cc1csc(n1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CS[*:1]
C[C@@H]1CN(c2cc[nH+]c(C(=O)OCc3nnnn3-c3ccccc3)c2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1cc[nH+]c(c1)C(=O)OCc1nnnn1[*:1]
CCCc1ncc(C(=O)N[C@H]2CCCn3nc(CC)nc32)s1 CCC[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)c1cnc(s1)[*:1]
C[C@@H]1CCCN(C(=O)NCCCOC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)CO[*:1] C[C@@H]1CCCN(CC1)C(=O)NCCC[*:1]
C[C@@H]1CCCN(C(=O)NCCCOC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] C[C@@H]1CCCN(CC1)C(=O)NCCCOC[*:1]
C[C@@H]1CCCN(C(=O)NCCCOC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] C[C@@H]1CCCN(CC1)C(=O)NCCCO[*:1]
COc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Br)cc3)CC2)c1 Brc1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)[C@H](C)O[*:1]
COc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Br)cc3)CC2)c1 Brc1ccc(cc1)O[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)[C@H](C)[*:1]
COc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Br)cc3)CC2)c1 COc1cccc(c1)[*:1] C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(CC1)[*:1]
C[C@H](Nc1cccc2ncccc12)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](Nc1cccc2ncccc12)[*:1]
Cc1sc2ncn(NC(=O)c3ccc(F)cc3)c(=O)c2c1-c1ccccc1 Fc1ccc(cc1)[*:1] Cc1sc2ncn(NC(=O)[*:1])c(=O)c2c1-c1ccccc1
Cc1sc2ncn(NC(=O)c3ccc(F)cc3)c(=O)c2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc2ncn(NC(=O)c3ccc(F)cc3)c(=O)c2c1[*:1]
O=C(Nc1ccncc1)c1ccc2c(c1)COCO2 c1cc(ccn1)[*:1] O=C(N[*:1])c1ccc2OCOCc2c1
CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(c1)[*:1])C1CC1
CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(c1)C(F)(F)F)[*:1]
CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(C(F)(F)F)c1)C1CC1 CC(C)[*:1] [NH3+][C@H](C(=O)N(Cc1cccc(c1)C(F)(F)F)C1CC1)[*:1]
CNC(=O)c1c(C)cccc1NC(=O)C1CC=CC1 CNC(=O)[*:1] Cc1cccc(NC(=O)C2CC=CC2)c1[*:1]
CCN1CC(=O)N(CC(C)(C)C(=O)NN)CC1=O NNC(=O)[*:1] CCN1CC(=O)N(CC1=O)CC(C)(C)[*:1]
C[C@](O)(CNC(=O)N[C@H](c1nccs1)C1CC1)c1cccs1 c1csc(n1)[*:1] C[C@](O)(CNC(=O)N[C@H](C1CC1)[*:1])c1cccs1
C[C@](O)(CNC(=O)N[C@H](c1nccs1)C1CC1)c1cccs1 C1CC1[*:1] C[C@](O)(CNC(=O)N[C@H](c1nccs1)[*:1])c1cccs1
C[C@](O)(CNC(=O)N[C@H](c1nccs1)C1CC1)c1cccs1 c1csc(c1)[*:1] C[C@](O)(CNC(=O)N[C@H](c1nccs1)C1CC1)[*:1]
CC(C)C(=O)[C@H](C)c1cc(F)cc(F)c1 CC(C)C(=O)[*:1] C[C@H](c1cc(F)cc(F)c1)[*:1]
CC(C)C(=O)[C@H](C)c1cc(F)cc(F)c1 CC(C)[*:1] C[C@@H](C(=O)[*:1])c1cc(F)cc(F)c1
CO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)[*:1] CO[C@H](C)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 CO[C@H](C)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CCNC(=O)NCCOC(=O)/C=C(/C)c1ccc(F)cc1F CCNC(=O)N[*:1] C/C(=C/C(=O)OCC[*:1])c1ccc(F)cc1F
CCNC(=O)NCCOC(=O)/C=C(/C)c1ccc(F)cc1F CCNC(=O)NC[*:1] C/C(=C/C(=O)OC[*:1])c1ccc(F)cc1F
COc1cccc(N2C(=O)C[C@@H]([NH+]3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)c1 COc1cccc(c1)[*:1] O=C1C[C@H](C(=O)N1[*:1])[NH+]1CCN(CC1)S(=O)(=O)c1ccccc1
COc1cccc(N2C(=O)C[C@@H]([NH+]3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1C(=O)C[C@H](C1=O)[NH+]1CCN(CC1)S(=O)(=O)[*:1]
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cncs2)C1 CCCC[*:1] C[C@@H]1CC[C@H](CN1Cc1cncs1)C(=O)N[*:1]
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cncs2)C1 c1ncc(C[*:1])s1 CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C1)[*:1]
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cncs2)C1 c1ncc(s1)[*:1] CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C1)C[*:1]
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cncs2)C1 CCC[*:1] C[C@@H]1CC[C@H](CN1Cc1cncs1)C(=O)NC[*:1]
COc1ccc([C@H](O)CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 COc1ccc(cc1)[*:1] O=C1O[C@H](Cc2ccccc21)C(=O)NC[C@@H](O)[*:1]
COCc1nc2ccc(Cl)cc2n1CC(C)C COC[*:1] CC(C)Cn1c(nc2ccc(Cl)cc21)[*:1]
COCc1nc2ccc(Cl)cc2n1CC(C)C CC(C)[*:1] COCc1nc2ccc(Cl)cc2n1C[*:1]
COCc1nc2ccc(Cl)cc2n1CC(C)C CC(C)C[*:1] COCc1nc2ccc(Cl)cc2n1[*:1]
Cc1cc(C)c(NNC(=O)C[C@@H](O)c2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)c(NNC(=O)C[C@@H](O)[*:1])c(C)c1
Cc1nn(C)c(C)c1CCC(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] Cc1nn(C)c(C)c1CCC(=O)N(C)[*:1]
Cc1nn(C)c(C)c1CCC(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] Cc1nn(C)c(C)c1CCC(=O)N(C)C[*:1]
CC(C)(C)[NH2+]CC[C@@](C)(O)[C@@H]1CCOC2(CCCC2)C1 CC(C)(C)[*:1] C[C@@](O)(CC[NH2+][*:1])[C@@H]1CCOC2(CCCC2)C1
O=C(Nc1ccc2c(c1)COC2)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 c1cc2COCc2cc1[*:1] O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)C(=O)N[*:1]
Fc1cc(Br)cc(F)c1N=C=S S=C=N[*:1] Fc1cc(Br)cc(F)c1[*:1]
CCCC(=O)N(CCN1CCOCC1)c1nc2c(C)ccc(C)c2s1 C1CN(CCO1)C[*:1] CCCC(=O)N(C[*:1])c1nc2c(C)ccc(C)c2s1
CCCC(=O)N(CCN1CCOCC1)c1nc2c(C)ccc(C)c2s1 C1CN(CCO1)[*:1] CCCC(=O)N(CC[*:1])c1nc2c(C)ccc(C)c2s1
CCCC(=O)N(CCN1CCOCC1)c1nc2c(C)ccc(C)c2s1 CCC[*:1] Cc1ccc(C)c2sc(nc12)N(CCN1CCOCC1)C(=O)[*:1]
CCCC(=O)N(CCN1CCOCC1)c1nc2c(C)ccc(C)c2s1 C1CN(CCO1)CC[*:1] CCCC(=O)N(c1nc2c(C)ccc(C)c2s1)[*:1]
O=[N+]([O-])c1cccnc1SC[C@@H]1CCCC[NH2+]1 O=[N+]([O-])[*:1] c1cnc(SC[C@@H]2CCCC[NH2+]2)c(c1)[*:1]
O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc2ncccc2c1 c1ccc(cc1)C[*:1] O=C(NC[C@H]1CC(=O)N(C1)[*:1])c1ccc2ncccc2c1
O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc2ncccc2c1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CC(=O)N(C1)C[*:1])c1ccc2ncccc2c1
COCc1cc(C)nc(SCC(=O)c2ccc(Cl)cc2Cl)c1C#N Clc1ccc(c(Cl)c1)[*:1] COCc1cc(C)nc(SCC(=O)[*:1])c1C#N
COCc1cc(C)nc(SCC(=O)c2ccc(Cl)cc2Cl)c1C#N COC[*:1] Cc1cc(c(C#N)c(n1)SCC(=O)c1ccc(Cl)cc1Cl)[*:1]
COc1cccc([C@H](CNC(=O)[C@@H](C)n2cncn2)[NH+]2CCCC2)c1 C[C@@H](n1cncn1)[*:1] COc1cccc(c1)[C@H](CNC(=O)[*:1])[NH+]1CCCC1
COc1cccc([C@H](CNC(=O)[C@@H](C)n2cncn2)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] C[C@H](C(=O)NC[C@H]([NH+]1CCCC1)[*:1])n1cncn1
COc1cccc([C@H](CNC(=O)[C@@H](C)n2cncn2)[NH+]2CCCC2)c1 c1ncn(n1)[*:1] COc1cccc(c1)[C@H](CNC(=O)[C@@H](C)[*:1])[NH+]1CCCC1
Cc1nc(N(C)C)cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)C)[nH+]1 CC(C)(C)C(=O)N[*:1] Cc1nc(cc([nH+]1)[C@@H](Cc1c[nH]c2ccccc12)[*:1])N(C)C
Cc1nc(N(C)C)cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)C)[nH+]1 CN(C)[*:1] Cc1nc(cc([nH+]1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)C)[*:1]
Cc1nc(N(C)C)cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)C)[nH+]1 c1ccc2c(c[nH]c2c1)[*:1] Cc1nc(cc([nH+]1)[C@@H](C[*:1])NC(=O)C(C)(C)C)N(C)C
Cc1nc(N(C)C)cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)C)[nH+]1 CC(C)(C)[*:1] Cc1nc(cc([nH+]1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[*:1])N(C)C
COc1ccc(C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)s1 FC(F)[*:1] COc1ccc(s1)C(=O)N1CCC[C@H](C1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
COc1ccc(C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)s1 COc1ccc(s1)[*:1] O=C(N1CCC[C@H](C1)[C@@H]1C[C@H](C(F)F)n2ncnc2N1)[*:1]
O=C1c2ccccc2[C@@H](Nc2cccc(C(F)(F)F)c2)N1Cc1ccco1 c1coc(c1)C[*:1] O=C1c2ccccc2[C@@H](Nc2cccc(c2)C(F)(F)F)N1[*:1]
O=C1c2ccccc2[C@@H](Nc2cccc(C(F)(F)F)c2)N1Cc1ccco1 c1coc(c1)[*:1] O=C1c2ccccc2[C@@H](Nc2cccc(c2)C(F)(F)F)N1C[*:1]
O=C1c2ccccc2[C@@H](Nc2cccc(C(F)(F)F)c2)N1Cc1ccco1 FC(F)(F)[*:1] O=C1c2ccccc2[C@@H](Nc2cccc(c2)[*:1])N1Cc1ccco1
CC[C@@H](CCO)[NH2+]Cc1ccc(Cl)c(Cl)c1 OCC[*:1] CC[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)[*:1]
COc1cc(CCC(=O)N2CCCc3cccc(OC(F)F)c32)cc(OC)c1 FC(F)[*:1] COc1cc(cc(c1)OC)CCC(=O)N1CCCc2cccc(O[*:1])c21
COc1cc(CCC(=O)N2CCCc3cccc(OC(F)F)c32)cc(OC)c1 FC(F)O[*:1] COc1cc(cc(c1)OC)CCC(=O)N1CCCc2cccc(c21)[*:1]
COc1ccc(OC)c(CCNC(=O)N(C)[C@@H](C)c2cccnc2)c1 c1cncc(c1)[*:1] COc1ccc(OC)c(c1)CCNC(=O)N(C)[C@@H](C)[*:1]
Cc1n[nH]c2cc(NC(=O)[C@@H]3CCc4[nH]nc(C(F)(F)F)c4C3)ccc12 FC(F)(F)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[C@@H]1CCc2[nH]nc(c2C1)[*:1]
O=C(Nc1ccccc1)N[C@H]1CCN(C(=O)c2ccc3sncc3c2)C1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1)C(=O)c1ccc2sncc2c1)N[*:1]
COc1ccc(NC(=O)NCC2CCN(C(=O)c3ccno3)CC2)cc1OC c1cc(on1)[*:1] COc1ccc(cc1OC)NC(=O)NCC1CCN(CC1)C(=O)[*:1]
Cc1cccc(C2=CC[NH+](CCCS(C)(=O)=O)CC2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)C1=CC[NH+](CCC[*:1])CC1
Cc1cccc(C2=CC[NH+](CCCS(C)(=O)=O)CC2)c1 CS(=O)(=O)CC[*:1] Cc1cccc(c1)C1=CC[NH+](CC1)C[*:1]
Cc1cccc(C2=CC[NH+](CCCS(C)(=O)=O)CC2)c1 CS(=O)(=O)C[*:1] Cc1cccc(c1)C1=CC[NH+](CC1)CC[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(NC(C)=O)c2)c1 CCN(CC)C(=O)[*:1] CC(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(NC(C)=O)c2)c1 CC(=O)N[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)c1cccc(c1)[*:1]
Cc1cc(-n2c(C)cc(C(=O)CN3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)CN2CCC[C@H](C2)c2[nH]cc[nH+]2)c(C)n1[*:1]
O=C(NCCn1nc(-n2cccn2)ccc1=O)c1cc(Br)ccc1Cl c1cnn(c1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])c1cc(Br)ccc1Cl
O=C(NCCn1nc(-n2cccn2)ccc1=O)c1cc(Br)ccc1Cl Clc1ccc(Br)cc1[*:1] O=C(NCCn1nc(ccc1=O)-n1cccn1)[*:1]
O=C(c1ccccc1)N1CCN(Cn2nc(-c3cccs3)oc2=S)CC1 c1ccc(cc1)[*:1] O=C(N1CCN(CC1)Cn1nc(oc1=S)-c1cccs1)[*:1]
O=C(c1ccccc1)N1CCN(Cn2nc(-c3cccs3)oc2=S)CC1 c1csc(c1)[*:1] O=C(c1ccccc1)N1CCN(CC1)Cn1nc(oc1=S)[*:1]
N#C[C@@H]1[C@@H]2CCCC[C@@H]2S[C@H]1NC(=O)CS[C@H]1N=CC(c2ccc(Cl)cc2)=N1 Clc1ccc(cc1)[*:1] N#C[C@@H]1[C@@H]2CCCC[C@@H]2S[C@H]1NC(=O)CS[C@H]1N=CC(=N1)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1Nc1ccccc1 c1ccc(cc1)N[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)c1ccccc1[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1Nc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)c1ccccc1N[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1Nc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)c1ccccc1Nc1ccccc1
CCOC[C@]1(O)C[C@H](C)CC(C)(C)C1 CCOC[*:1] C[C@@H]1CC(C)(C)C[C@](O)(C1)[*:1]
CCOC[C@]1(O)C[C@H](C)CC(C)(C)C1 CCO[*:1] C[C@@H]1CC(C)(C)C[C@@](O)(C1)C[*:1]
O=C(CCCn1ccnn1)Nc1cccc(NC(=O)C2CCCCC2)c1 c1cn(C[*:1])nn1 O=C(CC[*:1])Nc1cccc(c1)NC(=O)C1CCCCC1
O=C(CCCn1ccnn1)Nc1cccc(NC(=O)C2CCCCC2)c1 c1cn(CCC[*:1])nn1 O=C(Nc1cccc(c1)NC(=O)[*:1])C1CCCCC1
O=C(CCCn1ccnn1)Nc1cccc(NC(=O)C2CCCCC2)c1 c1cn(nn1)[*:1] O=C(CCC[*:1])Nc1cccc(c1)NC(=O)C1CCCCC1
O=C(CCCn1ccnn1)Nc1cccc(NC(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(CCCn1ccnn1)Nc1cccc(c1)NC(=O)[*:1]
O=C(CCCn1ccnn1)Nc1cccc(NC(=O)C2CCCCC2)c1 c1cn(CC[*:1])nn1 O=C(C[*:1])Nc1cccc(c1)NC(=O)C1CCCCC1
COC(=O)c1ccc(F)c(F)c1Cl COC(=O)[*:1] Fc1ccc(c(Cl)c1F)[*:1]
CC[C@H](CNC(=O)c1cccc(-c2nnc(C)o2)c1)c1ccccc1 Cc1nnc(o1)[*:1] CC[C@H](CNC(=O)c1cccc(c1)[*:1])c1ccccc1
CC[C@H](CNC(=O)c1cccc(-c2nnc(C)o2)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CNC(=O)c1cccc(c1)-c1nnc(C)o1)[*:1]
C[NH+]1CCCN(c2nc3ccccc3c(=O)n2CC(=O)[O-])CC1 O=C([O-])C[*:1] C[NH+]1CCCN(CC1)c1nc2ccccc2c(=O)n1[*:1]
C[NH+]1CCCN(c2nc3ccccc3c(=O)n2CC(=O)[O-])CC1 O=C([O-])[*:1] C[NH+]1CCCN(CC1)c1nc2ccccc2c(=O)n1C[*:1]
Cc1ccc(CCNC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](C(=O)NC[*:1])N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2
Cc1ccc(CCNC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)cc1 Cc1ccc(cc1)CC[*:1] C[C@@H](C(=O)N[*:1])N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2
Cc1ccc(CCNC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)NCC[*:1])N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2
NNC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1 NNC(=O)[*:1] O=C1NC[C@@H](c2ccccc2)[C@@H]1[*:1]
CCOc1ncccc1CNC(=O)CCn1cc(C)cn1 CCO[*:1] Cc1cnn(c1)CCC(=O)NCc1cccnc1[*:1]
CCOc1ncccc1CNC(=O)CCn1cc(C)cn1 Cc1cnn(c1)[*:1] CCOc1ncccc1CNC(=O)CC[*:1]
CCOc1ncccc1CNC(=O)CCn1cc(C)cn1 Cc1cnn(c1)C[*:1] CCOc1ncccc1CNC(=O)C[*:1]
Cc1ccc(C)c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 c1csc(c1)C[*:1] Cc1ccc(C)c(c1)SCC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(C)c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CS[*:1])N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1
Cc1ccc(C)c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 c1csc(c1)[*:1] Cc1ccc(C)c(c1)SCC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1cccc(N2C[C@H](C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2=O)c1C Cc1cccc(c1C)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CC2)c1cccs1 O=C(N[*:1])c1cccs1 O=C([C@@H]1CC(=O)N(C1)c1ccccc1)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CC2)c1cccs1 c1ccc(cc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[C@@H]1CC(=O)N(C1)[*:1])c1cccs1
O=C(Nc1nc2c(s1)CN(C(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CC2)c1cccs1 c1csc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)c1ccccc1)N1CCc2nc(NC(=O)[*:1])sc2C1
Cc1ccncc1NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 Cc1ccncc1[*:1] C[C@@H](NC(=O)N[*:1])c1nc(no1)-c1cccc(F)c1
Cc1ccncc1NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] Cc1ccncc1NC(=O)N[C@H](C)c1nc(no1)[*:1]
CCCc1noc(Cn2cccc2[C@@H](C)[NH2+]CC)n1 CCC[*:1] CC[NH2+][C@H](C)c1cccn1Cc1nc(no1)[*:1]
CC(C)NC(=O)c1cc2cccnn2n1 CC(C)[*:1] O=C(N[*:1])c1cc2cccnn2n1
Cc1noc([C@@H](OC(=O)CC[C@@H]2CCCO2)c2ccccc2)n1 C1CO[C@@H](C1)C[*:1] Cc1noc(n1)[C@@H](OC(=O)C[*:1])c1ccccc1
Cc1noc([C@@H](OC(=O)CC[C@@H]2CCCO2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@@H](OC(=O)CC[C@@H]1CCCO1)[*:1]
Cc1noc([C@@H](OC(=O)CC[C@@H]2CCCO2)c2ccccc2)n1 C1CO[C@@H](C1)[*:1] Cc1noc(n1)[C@@H](OC(=O)CC[*:1])c1ccccc1
Cc1noc([C@@H](OC(=O)CC[C@@H]2CCCO2)c2ccccc2)n1 Cc1noc(n1)[*:1] O=C(CC[C@@H]1CCCO1)O[C@@H](c1ccccc1)[*:1]
Cc1noc([C@@H](OC(=O)CC[C@@H]2CCCO2)c2ccccc2)n1 C1CO[C@@H](C1)CC[*:1] Cc1noc(n1)[C@@H](OC(=O)[*:1])c1ccccc1
COc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)c(Cl)c1 C1CC1[*:1] COc1ccc(NC(=O)N2CCOC[C@@H]2[*:1])c(Cl)c1
O/N=C1\Cc2ccccc2[C@H]1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O/N=C1\Cc2ccccc2[C@H]1N1CC[NH+](CC1)C[*:1]
O=C(CSc1nnc(-c2ccncc2)s1)Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] O=C(CSc1nnc(s1)-c1ccncc1)Nc1cccc(c1)[*:1]
O=C(CSc1nnc(-c2ccncc2)s1)Nc1cccc(C(=O)[O-])c1 c1cc(ccn1)[*:1] O=C(CSc1nnc(s1)[*:1])Nc1cccc(c1)C(=O)[O-]
O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc2c(c1)OC1(CCCC1)O2 c1cc2CCCc2cc1[*:1] O=C(CCC(=O)[*:1])Nc1ccc2OC3(CCCC3)Oc2c1
C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)o1)c1ccc(F)c(F)c1 CS(=O)(=O)[*:1] C[C@H](NC(=O)c1ccc(C[*:1])o1)c1ccc(F)c(F)c1
C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)o1)c1ccc(F)c(F)c1 CS(=O)(=O)C[*:1] C[C@H](NC(=O)c1ccc(o1)[*:1])c1ccc(F)c(F)c1
Fc1ccc(N2CC[NH+](Cc3ccccn3)CC2)cc1 c1ccc(nc1)[*:1] Fc1ccc(cc1)N1CC[NH+](CC1)C[*:1]
CN(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C1CCOCC1 FC(F)(F)[*:1] CN(C(=O)N[C@@H]1CCN(C[*:1])C1=O)C1CCOCC1
CN(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C1CCOCC1 FC(F)(F)C[*:1] CN(C(=O)N[C@@H]1CCN(C1=O)[*:1])C1CCOCC1
CN(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)[*:1]
COc1ccccc1-n1c(C)nnc1SCC(=O)[O-] O=C([O-])[*:1] COc1ccccc1-n1c(C)nnc1SC[*:1]
COc1ccccc1-n1c(C)nnc1SCC(=O)[O-] O=C([O-])C[*:1] COc1ccccc1-n1c(C)nnc1S[*:1]
COc1ccccc1-n1c(C)nnc1SCC(=O)[O-] O=C([O-])CS[*:1] COc1ccccc1-n1c(C)nnc1[*:1]
COc1ccccc1NC(=S)N1CCN(c2ccc(O)cc2)CC1 COc1ccccc1[*:1] Oc1ccc(cc1)N1CCN(CC1)C(=S)N[*:1]
COc1ccccc1NC(=S)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] COc1ccccc1NC(=S)N1CCN(CC1)[*:1]
C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@H](C)CCO C[C@@H](CCO)C[*:1] C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1C[*:1]
C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@H](C)CCO C[C@@H](CCO)CC[*:1] C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1[*:1]
C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@H](C)CCO C[C@@H](CCO)[*:1] C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[*:1]
C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@H](C)CCO OCC[*:1] C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@H](C)[*:1]
Cn1ccnc1[C@@H](NC(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 C1CO[C@H](C1)[*:1] Cn1ccnc1[C@@H](NC(=O)NC[*:1])c1ccc(F)cc1
Cn1ccnc1[C@@H](NC(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 C1CO[C@H](C1)C[*:1] Cn1ccnc1[C@@H](NC(=O)N[*:1])c1ccc(F)cc1
Cn1ccnc1[C@@H](NC(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)NC[C@H]1CCCO1)[*:1]
Cn1ccnc1[C@@H](NC(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 Cn1ccnc1[*:1] O=C(NC[C@H]1CCCO1)N[C@@H](c1ccc(F)cc1)[*:1]
COc1cc(C)ccc1OC(=O)Cc1cccc(OCC#N)c1 N#CC[*:1] COc1cc(C)ccc1OC(=O)Cc1cccc(c1)O[*:1]
COc1cc(C)ccc1OC(=O)Cc1cccc(OCC#N)c1 N#CCO[*:1] COc1cc(C)ccc1OC(=O)Cc1cccc(c1)[*:1]
CC[C@@]1(c2ccccc2)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2ccc(F)cc2)C1=O c1ccc(cc1)[*:1] CC[C@]1(C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2ccc(F)cc2)C1=O)[*:1]
CC[C@@]1(c2ccccc2)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] CC[C@]1(C(=O)N(C(=O)c2ccccc2)C(=O)N(C1=O)C(=O)[*:1])c1ccccc1
CC[C@@]1(c2ccccc2)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2ccc(F)cc2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(C(=O)N(C(=O)c2ccc(F)cc2)C(=O)N(C1=O)C(=O)[*:1])c1ccccc1
Cc1ccccc1N[C@H]1c2ncccc2C(=O)N1Cc1ccco1 c1coc(c1)[*:1] Cc1ccccc1N[C@H]1c2ncccc2C(=O)N1C[*:1]
Cc1ccccc1N[C@H]1c2ncccc2C(=O)N1Cc1ccco1 c1coc(c1)C[*:1] Cc1ccccc1N[C@H]1c2ncccc2C(=O)N1[*:1]
Cc1ccccc1N[C@H]1c2ncccc2C(=O)N1Cc1ccco1 Cc1ccccc1N[*:1] O=C1c2cccnc2[C@@H](N1Cc1ccco1)[*:1]
Cc1ccccc1N[C@H]1c2ncccc2C(=O)N1Cc1ccco1 Cc1ccccc1[*:1] O=C1c2cccnc2[C@H](N[*:1])N1Cc1ccco1
COc1ccc(C2=COC3(CCN(C(=O)c4cccs4)CC3)C2)cc1 COc1ccc(cc1)[*:1] O=C(c1cccs1)N1CCC2(CC1)CC(=CO2)[*:1]
COc1ccc(C2=COC3(CCN(C(=O)c4cccs4)CC3)C2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)C1=COC2(CCN(CC2)C(=O)[*:1])C1
C[C@H](NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1)[C@@H](C)CO C[C@@H](CO)[*:1] C[C@H](NC(=O)N[C@@H]1CCN(C1)c1c(F)cccc1F)[*:1]
Cc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2cccc(O)c2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(c2NC(=O)[C@@H](C)S[C@@H](c3cccc(O)c3)c12)[*:1]
Cc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2cccc(O)c2)cc1 Oc1cccc(c1)[*:1] Cc1ccc(cc1)-n1nc(C)c2c1NC(=O)[C@@H](C)S[C@@H]2[*:1]
CCO[C@@H]1NC(=O)[C@H](OCC)NC1=O CCO[*:1] CCO[C@@H]1NC(=O)[C@@H](NC1=O)[*:1]
Cc1ccc(OC(=O)c2ccc(CCNC(N)=O)cc2)cc1[N+](=O)[O-] NC(=O)NCC[*:1] Cc1ccc(cc1[N+](=O)[O-])OC(=O)c1ccc(cc1)[*:1]
Cc1ccc(OC(=O)c2ccc(CCNC(N)=O)cc2)cc1[N+](=O)[O-] NC(=O)NC[*:1] Cc1ccc(cc1[N+](=O)[O-])OC(=O)c1ccc(cc1)C[*:1]
Cc1ccc(OC(=O)c2ccc(CCNC(N)=O)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])OC(=O)c1ccc(cc1)CCNC(N)=O
Cc1ccc(OC(=O)c2ccc(CCNC(N)=O)cc2)cc1[N+](=O)[O-] NC(=O)N[*:1] Cc1ccc(cc1[N+](=O)[O-])OC(=O)c1ccc(cc1)CC[*:1]
COc1ccc2c(c1)C[C@@H](C(=O)O[C@H](C)[C@@H]1CCOC1)CO2 C1C[C@H](CO1)[*:1] COc1ccc2OC[C@@H](Cc2c1)C(=O)O[C@H](C)[*:1]
CC(=O)N(Cc1ccc(NC(=O)Nc2nc(C3CC3)cs2)cc1)C1CC1 C1CC1[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)Nc1nc(cs1)[*:1])C1CC1
CC(=O)N(Cc1ccc(NC(=O)Nc2nc(C3CC3)cs2)cc1)C1CC1 c1sc(nc1C1CC1)[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)N[*:1])C1CC1
CC(=O)N(Cc1ccc(NC(=O)Nc2nc(C3CC3)cs2)cc1)C1CC1 C1CC1[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)Nc1nc(cs1)C1CC1)[*:1]
CC(=O)N(Cc1ccc(NC(=O)Nc2nc(C3CC3)cs2)cc1)C1CC1 CC(=O)N(C[*:1])C1CC1 O=C(Nc1ccc(cc1)[*:1])Nc1nc(cs1)C1CC1
CC(=O)N(Cc1ccc(NC(=O)Nc2nc(C3CC3)cs2)cc1)C1CC1 CC(=O)N(C1CC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])Nc1nc(cs1)C1CC1
CCn1c(CCNC(=O)[C@@H]2CCCO2)nc2ccccc21 C1CO[C@@H](C1)[*:1] CCn1c(CCNC(=O)[*:1])nc2ccccc21
COc1ccc([C@H](O)[C@@H](C)c2ccncc2)cc1F c1cc(ccn1)[*:1] COc1ccc(cc1F)[C@H](O)[C@@H](C)[*:1]
Cc1ccc(N2C(=O)C[C@@H](C(=O)NCC(N)=O)[C@@H]2c2cccs2)cc1 NC(=O)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C(=O)NC[*:1])[C@@H]1c1cccs1
Cc1ccc(N2C(=O)C[C@@H](C(=O)NCC(N)=O)[C@@H]2c2cccs2)cc1 NC(=O)CNC(=O)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H]([C@@H]1c1cccs1)[*:1]
Cc1ccc(N2C(=O)C[C@@H](C(=O)NCC(N)=O)[C@@H]2c2cccs2)cc1 NC(=O)C[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C(=O)N[*:1])[C@@H]1c1cccs1
Cc1ccc(N2C(=O)C[C@@H](C(=O)NCC(N)=O)[C@@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C(=O)NCC(N)=O)[C@H]1[*:1]
Cc1ccc(N2C(=O)C[C@@H](C(=O)NCC(N)=O)[C@@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] NC(=O)CNC(=O)[C@@H]1CC(=O)N([C@H]1c1cccs1)[*:1]
C[C@H](Cn1cc(Cl)cn1)C(=O)NCc1ccccc1 Clc1cnn(c1)[*:1] C[C@H](C[*:1])C(=O)NCc1ccccc1
C[C@H](Cn1cc(Cl)cn1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cn1cc(Cl)cn1)C(=O)NC[*:1]
CCCOc1ccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=O)oc2c1 CCCO[*:1] Cc1ccc(cc1C)NC(=O)c1cc2ccc(cc2oc1=O)[*:1]
CCCOc1ccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=O)oc2c1 Cc1ccc(cc1C)[*:1] CCCOc1ccc2cc(C(=O)N[*:1])c(=O)oc2c1
CCCOc1ccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=O)oc2c1 CCC[*:1] Cc1ccc(cc1C)NC(=O)c1cc2ccc(cc2oc1=O)O[*:1]
O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cccc(c1)[*:1]
COc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)CC1 CC(C)c1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)[C@H]1CC(=O)N(C1=O)[*:1]
COc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)CC1 COc1ccccc1[*:1] CC(C)c1ccc(cc1)N1C(=O)C[C@@H](C1=O)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)CC1 CC(C)[*:1] COc1ccccc1N1CCN(CC1)[C@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
COc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)N1CCN(CC1)Cc1csc(n1)[*:1]
COc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N1CCN(CC1)Cc1csc(n1)-c1ccccc1)[*:1]
C/[NH+]=C(/NCc1cc(C)oc1C)N[C@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCc1cc(C)oc1C)N[C@H]1CCN(C1)[*:1]
C/[NH+]=C(/NCc1cc(C)oc1C)N[C@H]1CCN(c2ccccc2)C1 Cc1cc(c(C)o1)[*:1] C/[NH+]=C(/NC[*:1])N[C@H]1CCN(C1)c1ccccc1
C/[NH+]=C(/NCc1cc(C)oc1C)N[C@H]1CCN(c2ccccc2)C1 Cc1cc(C[*:1])c(C)o1 C/[NH+]=C(\N[C@H]1CCN(C1)c1ccccc1)N[*:1]
CC(C)Oc1ccc(NC(=O)NCC(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)NC(=O)NCC(=O)NC[*:1]
CC(C)Oc1ccc(NC(=O)NCC(=O)NCc2ccccc2)cc1 CC(C)[*:1] O=C(CNC(=O)Nc1ccc(cc1)O[*:1])NCc1ccccc1
CC(C)Oc1ccc(NC(=O)NCC(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)Oc1ccc(cc1)NC(=O)NCC(=O)N[*:1]
CC(C)Oc1ccc(NC(=O)NCC(=O)NCc2ccccc2)cc1 CC(C)O[*:1] O=C(CNC(=O)Nc1ccc(cc1)[*:1])NCc1ccccc1
Cc1ccc2c(C)c(CCC(=O)Nc3ncccc3C)c(=O)oc2c1 Cc1cccnc1[*:1] Cc1ccc2c(C)c(CCC(=O)N[*:1])c(=O)oc2c1
CC(C)[NH2+][C@@]1(CO)CS[C@@H](C)C1 CC(C)[*:1] C[C@H]1C[C@](CO)(CS1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(CO)CS[C@@H](C)C1 CC(C)[NH2+][*:1] C[C@H]1C[C@@](CO)(CS1)[*:1]
C#CCN(CC#C)C(=O)/C=C/c1c(C)nn(CCCC)c1Cl CCC[*:1] C#CCN(CC#C)C(=O)/C=C/c1c(C)nn(C[*:1])c1Cl
C#CCN(CC#C)C(=O)/C=C/c1c(C)nn(CCCC)c1Cl CCCC[*:1] C#CCN(CC#C)C(=O)/C=C/c1c(C)nn(c1Cl)[*:1]
C#CCN(CC#C)C(=O)/C=C/c1c(C)nn(CCCC)c1Cl C#CC[*:1] C#CCN(C(=O)/C=C/c1c(C)nn(CCCC)c1Cl)[*:1]
O=C(CSc1ncccn1)N[C@H]1C[C@H]2CC[C@@H]1C2 c1cnc(nc1)[*:1] O=C(CS[*:1])N[C@H]1C[C@H]2CC[C@@H]1C2
Cc1ccc(S(=O)(=O)Nc2ccccc2/C=C/C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C([O-])/C=C/c1ccccc1NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2/C=C/C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C=C[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccc2/C=C/C(=O)[O-])cc1 O=C([O-])C=C[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1[*:1]
c1ccc2c(c1)SC[C@H]2Cn1ccc(C[NH2+]C2CC2)n1 C1CC1[*:1] c1ccc2c(c1)SC[C@H]2Cn1ccc(C[NH2+][*:1])n1
O=C([O-])CCNC(=O)CCc1nc2ccccc2[nH]1 O=C([O-])CC[*:1] O=C(CCc1nc2ccccc2[nH]1)N[*:1]
O=C([O-])CCNC(=O)CCc1nc2ccccc2[nH]1 O=C([O-])C[*:1] O=C(CCc1nc2ccccc2[nH]1)NC[*:1]
O=C([O-])CCNC(=O)CCc1nc2ccccc2[nH]1 O=C([O-])[*:1] O=C(CCc1nc2ccccc2[nH]1)NCC[*:1]
C[C@@H](CC(=O)Nc1cccc(OCC#N)c1)CC(C)(C)C C[C@@H](CC(C)(C)C)[*:1] N#CCOc1cccc(c1)NC(=O)C[*:1]
C[C@@H](CC(=O)Nc1cccc(OCC#N)c1)CC(C)(C)C N#CC[*:1] C[C@@H](CC(=O)Nc1cccc(c1)O[*:1])CC(C)(C)C
C[C@@H](CC(=O)Nc1cccc(OCC#N)c1)CC(C)(C)C CC(C)(C)[*:1] C[C@@H](CC(=O)Nc1cccc(c1)OCC#N)C[*:1]
C[C@@H](CC(=O)Nc1cccc(OCC#N)c1)CC(C)(C)C N#CCO[*:1] C[C@@H](CC(=O)Nc1cccc(c1)[*:1])CC(C)(C)C
C[C@@H](CC(=O)Nc1cccc(OCC#N)c1)CC(C)(C)C CC(C)(C)C[*:1] C[C@@H](CC(=O)Nc1cccc(c1)OCC#N)[*:1]
CN1C(=O)c2ccc(C(=O)Nc3ccc(-n4cccn4)nc3)cc2C1=O c1cnn(c1)[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(nc1)[*:1]
COc1ccccc1C(=O)c1cccc(OC(C)=O)c1 CC(=O)O[*:1] COc1ccccc1C(=O)c1cccc(c1)[*:1]
Cc1ccccc1CNC(=O)CCc1ccc2[nH]ccc2c1 Cc1ccccc1[*:1] O=C(CCc1ccc2[nH]ccc2c1)NC[*:1]
Cc1ccsc1CCNC(=O)c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1 Cc1ccsc1[*:1] CN(C)S(=O)(=O)c1ccc(cc1)-c1noc(n1)C(=O)NCC[*:1]
Cc1ccsc1CCNC(=O)c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1 Cc1ccsc1CC[*:1] CN(C)S(=O)(=O)c1ccc(cc1)-c1noc(n1)C(=O)N[*:1]
Cc1ccsc1CCNC(=O)c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1 CN(C)S(=O)(=O)[*:1] Cc1ccsc1CCNC(=O)c1nc(no1)-c1ccc(cc1)[*:1]
Cc1ccsc1CCNC(=O)c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1 Cc1ccsc1C[*:1] CN(C)S(=O)(=O)c1ccc(cc1)-c1noc(n1)C(=O)NC[*:1]
Cc1cccc([C@H]2CCCN2C(=O)NCCc2ncnn2C)c1C Cn1ncnc1[*:1] Cc1cccc(c1C)[C@H]1CCCN1C(=O)NCC[*:1]
Cc1cccc([C@H]2CCCN2C(=O)NCCc2ncnn2C)c1C Cn1ncnc1C[*:1] Cc1cccc(c1C)[C@H]1CCCN1C(=O)NC[*:1]
Cc1cccc([C@H]2CCCN2C(=O)NCCc2ncnn2C)c1C Cc1cccc(c1C)[*:1] Cn1ncnc1CCNC(=O)N1CCC[C@@H]1[*:1]
Cc1cccc([C@H]2CCCN2C(=O)NCCc2ncnn2C)c1C Cn1ncnc1CC[*:1] Cc1cccc(c1C)[C@H]1CCCN1C(=O)N[*:1]
Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1Cl Clc1ccc(O[*:1])c(Cl)c1 Cc1cc(ccc1Cl)OCC(=O)NNC(=O)[C@H](C)[*:1]
Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1Cl Cc1cc(ccc1Cl)[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CO[*:1]
Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1Cl Clc1ccc(c(Cl)c1)[*:1] Cc1cc(ccc1Cl)OCC(=O)NNC(=O)[C@H](C)O[*:1]
Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1Cl Cc1cc(ccc1Cl)O[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C[*:1]
COC(=O)c1ccc(OC[C@@H](O)CN2CCO[C@H]3CCCC[C@@H]32)cc1 COC(=O)[*:1] O[C@H](COc1ccc(cc1)[*:1])CN1CCO[C@H]2CCCC[C@@H]21
CCS(=O)(=O)CCNC(=O)c1sc2cccc(F)c2c1Cl CCS(=O)(=O)[*:1] O=C(NCC[*:1])c1sc2cccc(F)c2c1Cl
CCS(=O)(=O)CCNC(=O)c1sc2cccc(F)c2c1Cl CCS(=O)(=O)C[*:1] O=C(NC[*:1])c1sc2cccc(F)c2c1Cl
CCS(=O)(=O)CCNC(=O)c1sc2cccc(F)c2c1Cl CCS(=O)(=O)CC[*:1] O=C(N[*:1])c1sc2cccc(F)c2c1Cl
CCn1nc(C)cc1C(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] CCn1nc(C)cc1C(=O)N(C)C[*:1]
CCn1nc(C)cc1C(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] CCn1nc(C)cc1C(=O)N(C)[*:1]
O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1 Clc1cccc(c1)[*:1] O=C(N[*:1])c1nnc(s1)[C@H]1CCCN(C1)C(=O)c1cccc(F)c1
O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1 O=C(Nc1cccc(Cl)c1)[*:1] O=C(c1cccc(F)c1)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1 Fc1cccc(c1)[*:1] O=C(Nc1cccc(Cl)c1)c1nnc(s1)[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2OC)c(OC)c1 COc1ccc(c(c1)OC)[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(O)=Nc2c1ncn2[*:1]
COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2OC)c(OC)c1 COc1ccc(c(c1)OC)[*:1] COc1ccc(c(c1)OC)-n1cnc2c1N=C(O)C[C@H]2[*:1]
O=C(NC1CCCC1)c1cccnc1Sc1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CCCC1)c1cccnc1S[*:1]
O=C(NC1CCCC1)c1cccnc1Sc1ccccc1 c1ccc(cc1)S[*:1] O=C(NC1CCCC1)c1cccnc1[*:1]
O=C(NC1CCCC1)c1cccnc1Sc1ccccc1 C1CCC(C1)[*:1] O=C(N[*:1])c1cccnc1Sc1ccccc1
O=S(=O)(Cc1ccccc1Cl)N[C@@H]1C[C@H]1c1ccccc1 Clc1ccccc1[*:1] O=S(=O)(C[*:1])N[C@@H]1C[C@H]1c1ccccc1
O=S(=O)(Cc1ccccc1Cl)N[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Cc1ccccc1Cl)N[C@@H]1C[C@@H]1[*:1]
CCOc1ccc(C2=NC(=O)[C@H]3SC(=S)N(C)C3=N2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C1=NC(=O)[C@H]2SC(=S)N(C)C2=N1
CCOc1ccc(C2=NC(=O)[C@H]3SC(=S)N(C)C3=N2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C1=NC(=O)[C@H]2SC(=S)N(C)C2=N1
O=C1c2ccccc2N[C@@H](C2=C(c3cccs3)N=NC2)N1Cc1ccc2c(c1)OCO2 c1csc(c1)[*:1] O=C1c2ccccc2N[C@@H](C2CN=NC=2[*:1])N1Cc1ccc2OCOc2c1
O=C1c2ccccc2N[C@@H](C2=C(c3cccs3)N=NC2)N1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C1c2ccccc2N[C@@H](C2CN=NC=2c2cccs2)N1[*:1]
O=C1c2ccccc2N[C@@H](C2=C(c3cccs3)N=NC2)N1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1c2ccccc2N[C@@H](C2CN=NC=2c2cccs2)N1C[*:1]
Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(Cl)c3)n2N)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1N)[*:1])C(=O)Nc1cccc(Cl)c1
Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(Cl)c3)n2N)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)-c1nnc(S[C@H](C)C(=O)N[*:1])n1N
CCOCCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 CCOCC[*:1] O=C(N1CCC[C@@H](C1)c1[nH]ncc1-c1ccc(F)cc1)[*:1]
CCOCCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 CCOC[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1[nH]ncc1-c1ccc(F)cc1
CCOCCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 CCO[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)c1[nH]ncc1-c1ccc(F)cc1
CCOCCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCOCCC(=O)N1CCC[C@@H](C1)c1[nH]ncc1[*:1]
CCn1cc(C(=O)O[C@@H](C)[C@@H]2CCOC2)c(C(C)C)n1 CC(C)[*:1] CCn1cc(C(=O)O[C@@H](C)[C@@H]2CCOC2)c(n1)[*:1]
CCn1cc(C(=O)O[C@@H](C)[C@@H]2CCOC2)c(C(C)C)n1 C1C[C@H](CO1)[*:1] CCn1cc(C(=O)O[C@@H](C)[*:1])c(n1)C(C)C
CC(=O)N1CCC(CC[NH2+][C@H](c2cccs2)C2CC2)CC1 C1CC1[*:1] CC(=O)N1CCC(CC[NH2+][C@H](c2cccs2)[*:1])CC1
CC(=O)N1CCC(CC[NH2+][C@H](c2cccs2)C2CC2)CC1 c1csc(c1)[*:1] CC(=O)N1CCC(CC[NH2+][C@H](C2CC2)[*:1])CC1
Cc1ccc(NC(=O)Nc2c(-c3cccnc3)[nH]c3ccccc23)cc1C c1cncc(c1)[*:1] Cc1ccc(cc1C)NC(=O)Nc1c([nH]c2ccccc12)[*:1]
Cc1ccc(NC(=O)Nc2c(-c3cccnc3)[nH]c3ccccc23)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1c([nH]c2ccccc12)-c1cccnc1)N[*:1]
Cc1ncsc1CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] Cc1ncsc1[*:1] O=C(CC[*:1])N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]
Cc1ncsc1CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] O=C([O-])[*:1] Cc1ncsc1CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)[*:1]
Cc1ncsc1CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] Cc1ncsc1C[*:1] O=C(C[*:1])N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(O)cc2)NC(=S)N1 Cc1cccc(c1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1ccc(O)cc1
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(O)cc2)NC(=S)N1 Oc1ccc(cc1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1cccc(C)c1)[*:1]
CN(CC[NH+](C)C)C(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(CC[NH+](C)C)C(=O)[C@H]1Cc2ccccc2CN1C(=O)O[*:1]
COc1ccc(C2(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)CCCC2)cc1 c1cc([nH]n1)[*:1] COc1ccc(cc1)C1(CCCC1)C(=O)N1CCC[C@@H](C1)[*:1]
COc1ccc(C2(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(N1CCC[C@H](C1)c1ccn[nH]1)C1(CCCC1)[*:1]
CCS(=O)(=O)N1CCC(C(=O)N[C@H](CO)C(=O)[O-])CC1 O=C([O-])[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)N[C@H](CO)[*:1]
Cc1ccc(C(=O)Nc2c3c(nn2-c2nc4ccccc4s2)CCC3)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1c2CCCc2nn1-c1nc2ccccc2s1)[*:1]
Cc1ccc(C(=O)Nc2c3c(nn2-c2nc4ccccc4s2)CCC3)cc1 c1ccc2sc(nc2c1)[*:1] Cc1ccc(cc1)C(=O)Nc1c2CCCc2nn1[*:1]
CCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc3cccnc23)C1 CCNC(=O)[*:1] O=C(Nc1cccc2cccnc12)N1CCC[C@H](C1)[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)CSc2ncc[nH]2)C1 c1c[nH]c(n1)S[*:1] CC(C)CN1CCO[C@@H](CNC(=O)C[*:1])C1
CC(C)CN1CCO[C@@H](CNC(=O)CSc2ncc[nH]2)C1 c1c[nH]c(n1)[*:1] CC(C)CN1CCO[C@@H](CNC(=O)CS[*:1])C1
CC(C)CN1CCO[C@@H](CNC(=O)CSc2ncc[nH]2)C1 CC(C)C[*:1] O=C(CSc1ncc[nH]1)NC[C@H]1CN(CCO1)[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)CSc2ncc[nH]2)C1 CC(C)[*:1] O=C(CSc1ncc[nH]1)NC[C@H]1CN(CCO1)C[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)CSc2ncc[nH]2)C1 c1c[nH]c(n1)SC[*:1] CC(C)CN1CCO[C@@H](CNC(=O)[*:1])C1
Clc1ccccc1O[C@@H]1CCN(Cc2cnc(C3CC3)s2)C1 C1CC1[*:1] Clc1ccccc1O[C@@H]1CCN(Cc2cnc(s2)[*:1])C1
Clc1ccccc1O[C@@H]1CCN(Cc2cnc(C3CC3)s2)C1 Clc1ccccc1[*:1] c1nc(sc1CN1CC[C@H](C1)O[*:1])C1CC1
Cc1cc(C)n(-c2cncc(Oc3ccc(O[C@@H](C)C(N)=O)cc3)n2)n1 NC(=O)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)Oc1ccc(cc1)O[C@@H](C)[*:1]
Cc1cc(C)n(-c2cncc(Oc3ccc(O[C@@H](C)C(N)=O)cc3)n2)n1 C[C@H](O[*:1])C(N)=O Cc1cc(C)n(n1)-c1cncc(n1)Oc1ccc(cc1)[*:1]
Cc1cc(C)n(-c2cncc(Oc3ccc(O[C@@H](C)C(N)=O)cc3)n2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](Oc1ccc(cc1)Oc1cncc(n1)[*:1])C(N)=O
CC/[NH+]=C(/NC[C@@H](C)c1ccsc1)N1CCN(C2CC2)C(=O)C1 c1cc(cs1)[*:1] CC/[NH+]=C(/NC[C@@H](C)[*:1])N1CCN(C(=O)C1)C1CC1
CC/[NH+]=C(/NC[C@@H](C)c1ccsc1)N1CCN(C2CC2)C(=O)C1 C1CC1[*:1] CC/[NH+]=C(/NC[C@@H](C)c1ccsc1)N1CCN(C(=O)C1)[*:1]
CC/[NH+]=C(/NC[C@@H](C)c1ccsc1)N1CCN(C2CC2)C(=O)C1 C[C@@H](c1ccsc1)[*:1] CC/[NH+]=C(/NC[*:1])N1CCN(C(=O)C1)C1CC1
Cc1ccc(NC(=O)[C@H](C)N2CCN(c3ccccc3F)CC2)c(F)c1 Cc1ccc(c(F)c1)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)c1ccccc1F
Cc1ccc(NC(=O)[C@H](C)N2CCN(c3ccccc3F)CC2)c(F)c1 Fc1ccccc1[*:1] Cc1ccc(NC(=O)[C@H](C)N2CCN(CC2)[*:1])c(F)c1
COc1ccc(CC(=O)N(c2ccc(C#N)cc2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CC(=O)N(c1ccc(C#N)cc1)[*:1]
COC(=O)[C@H]1C[C@@H]1C(=O)NC[C@@H](OC)c1cccc(Cl)c1 COC(=O)[*:1] CO[C@H](CNC(=O)[C@H]1C[C@@H]1[*:1])c1cccc(Cl)c1
COC(=O)[C@H]1C[C@@H]1C(=O)NC[C@@H](OC)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)[C@H]1C[C@@H]1C(=O)NC[C@@H](OC)[*:1]
COC(=O)[C@H]1C[C@@H]1C(=O)NC[C@@H](OC)c1cccc(Cl)c1 COC(=O)[C@H]1C[C@H]1[*:1] CO[C@H](CNC(=O)[*:1])c1cccc(Cl)c1
N#C[C@](CSc1ccncc1)(NC1CC1)C1CC1 C1CC1[*:1] N#C[C@](CSc1ccncc1)(N[*:1])C1CC1
N#C[C@](CSc1ccncc1)(NC1CC1)C1CC1 c1cc(ccn1)[*:1] N#C[C@](CS[*:1])(NC1CC1)C1CC1
N#C[C@](CSc1ccncc1)(NC1CC1)C1CC1 C1CC1[*:1] N#C[C@](CSc1ccncc1)(NC1CC1)[*:1]
N#C[C@](CSc1ccncc1)(NC1CC1)C1CC1 C1CC1N[*:1] N#C[C@](CSc1ccncc1)(C1CC1)[*:1]
CC(C)OC[C@@H](O)c1cc(Br)c2c(c1)OCO2 CC(C)[*:1] O[C@H](CO[*:1])c1cc(Br)c2OCOc2c1
CC(C)OC[C@@H](O)c1cc(Br)c2c(c1)OCO2 CC(C)OC[*:1] O[C@@H](c1cc(Br)c2OCOc2c1)[*:1]
CC(C)OC[C@@H](O)c1cc(Br)c2c(c1)OCO2 CC(C)O[*:1] O[C@H](C[*:1])c1cc(Br)c2OCOc2c1
Cc1ccc(CN2C[C@@H](C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2C[C@@H](C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(CN2C[C@@H](C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2=O)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(Cl)cc1F NC(=O)[*:1] O=C(CN1Cc2ccccc2C[C@H]1[*:1])Nc1ccc(Cl)cc1F
NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N[*:1]
C[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)c1ncc(-c2ccccc2)o1 c1cc(co1)[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])c1ncc(o1)-c1ccccc1
C[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)c1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cccc(c1)-c1ccoc1)c1ncc(o1)[*:1]
Nc1nc2ccccc2nc1N1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] Nc1nc2ccccc2nc1N1CCCC[C@H]1[*:1]
Cc1cccc(NC(=O)CN2CC[NH+](Cc3nc(N)c4ccccc4n3)CC2)c1C Cc1cccc(c1C)[*:1] Nc1nc(C[NH+]2CCN(CC2)CC(=O)N[*:1])nc2ccccc12
CCOc1ccc(NC(=O)N[C@H](C)c2cnn(CC)c2C)cc1 CCO[*:1] CCn1ncc(c1C)[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] COc1ccc(cc1NC(=O)C(=O)NCC[*:1])N1CCCS1(=O)=O
COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] COc1ccc(cc1NC(=O)C(=O)NC[*:1])N1CCCS1(=O)=O
COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] COc1ccc(cc1NC(=O)C(=O)N[*:1])N1CCCS1(=O)=O
COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCN1CCOCC1 O=S1(=O)CCCN1[*:1] COc1ccc(cc1NC(=O)C(=O)NCCN1CCOCC1)[*:1]
O=C(NCCCn1cnc2ccccc21)C(=O)Nc1ccc(-n2cncn2)cc1 c1ccc2c(c1)ncn2[*:1] O=C(NCCC[*:1])C(=O)Nc1ccc(cc1)-n1cncn1
O=C(NCCCn1cnc2ccccc21)C(=O)Nc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] O=C(NCCCn1cnc2ccccc21)C(=O)Nc1ccc(cc1)[*:1]
CCn1c(-c2cccc(C)c2)nn(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1=S Cc1cccc(c1)[*:1] CCn1c(nn(CN2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)c1=S)[*:1]
CCn1c(-c2cccc(C)c2)nn(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1=S Fc1ccc(cc1)[*:1] CCn1c(nn(CN2CCN(CC2)S(=O)(=O)[*:1])c1=S)-c1cccc(C)c1
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2OC(F)F)NC(=O)N1 FC(F)(F)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccccc1[*:1])c1ccccc1OC(F)F
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2OC(F)F)NC(=O)N1 FC(F)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1O[*:1]
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2OC(F)F)NC(=O)N1 FC(F)(F)c1ccccc1[*:1] CC1NC(=O)N[C@@H](C=1C(=O)N[*:1])c1ccccc1OC(F)F
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2OC(F)F)NC(=O)N1 FC(F)O[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1[*:1]
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2OC(F)F)NC(=O)N1 FC(F)Oc1ccccc1[*:1] CC1NC(=O)N[C@H](C=1C(=O)Nc1ccccc1C(F)(F)F)[*:1]
CCCCN(C)C(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl CCCC[*:1] CN(C(=O)C(=O)Nc1cc(ccc1Cl)N1CCCC1=O)[*:1]
CCCCN(C)C(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CCCCN(C)C(=O)C(=O)Nc1cc(ccc1Cl)[*:1]
CCCCN(C)C(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl CCC[*:1] CN(C[*:1])C(=O)C(=O)Nc1cc(ccc1Cl)N1CCCC1=O
CCCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccncc1 CCC[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])Nc1cccc2ccccc12
CCCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCCn1c(nnc1[*:1])SCC(=O)Nc1cccc2ccccc12
CC(=O)CCc1c[nH]c2ccc(Br)cc12 CC(=O)[*:1] Brc1ccc2[nH]cc(CC[*:1])c2c1
CC(=O)CCc1c[nH]c2ccc(Br)cc12 CC(=O)C[*:1] Brc1ccc2[nH]cc(C[*:1])c2c1
CC(=O)CCc1c[nH]c2ccc(Br)cc12 CC(=O)CC[*:1] Brc1ccc2[nH]cc(c2c1)[*:1]
Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1ccsc1 c1cc(cs1)[*:1] Cc1noc(C)c1[C@@H]1CCCN1C(=O)[*:1]
CCCN[C@@H](C[NH3+])c1cccc(C2CC2)c1 CCCN[*:1] [NH3+]C[C@@H](c1cccc(c1)C1CC1)[*:1]
CCCN[C@@H](C[NH3+])c1cccc(C2CC2)c1 CCC[*:1] [NH3+]C[C@H](N[*:1])c1cccc(c1)C1CC1
CCCN[C@@H](C[NH3+])c1cccc(C2CC2)c1 C1CC1[*:1] CCCN[C@@H](C[NH3+])c1cccc(c1)[*:1]
C[C@@H](NC(=O)Nc1ccccc1N1CCCC1)c1nnc2ccccn12 C1CCN(C1)[*:1] C[C@@H](NC(=O)Nc1ccccc1[*:1])c1nnc2ccccn12
Cc1cccc(NC(=O)c2cc(C(C)C)n3nccc3n2)c1 Cc1cccc(c1)[*:1] CC(C)c1cc(nc2ccnn12)C(=O)N[*:1]
Cc1cccc(NC(=O)c2cc(C(C)C)n3nccc3n2)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)c1cc(n2nccc2n1)[*:1]
CC(=O)O[C@@H]1C(=O)c2c(C)nn(-c3ccccc3)c2CC1(C)C CC(=O)O[*:1] Cc1nn(-c2ccccc2)c2CC(C)(C)[C@@H](C(=O)c12)[*:1]
CC(=O)O[C@@H]1C(=O)c2c(C)nn(-c3ccccc3)c2CC1(C)C c1ccc(cc1)[*:1] CC(=O)O[C@@H]1C(=O)c2c(C)nn(c2CC1(C)C)[*:1]
CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+](CC(C)C)CC1 COc1ccc(cc1)[*:1] CCN(C[*:1])C(=O)NC1CC[NH+](CC1)CC(C)C
CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+](CC(C)C)CC1 CC(C)C[*:1] CCN(Cc1ccc(cc1)OC)C(=O)NC1CC[NH+](CC1)[*:1]
CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+](CC(C)C)CC1 CC(C)[*:1] CCN(Cc1ccc(cc1)OC)C(=O)NC1CC[NH+](CC1)C[*:1]
CC(C)[C@@H](NC(=O)c1ccc([S@](C)=O)cc1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)[S@](C)=O)[*:1]
CC(C)[C@@H](NC(=O)c1ccc([S@](C)=O)cc1)C(=O)N1CCOCC1 CC(C)[*:1] C[S@](=O)c1ccc(cc1)C(=O)N[C@@H](C(=O)N1CCOCC1)[*:1]
CC(C)[C@@H](NC(=O)c1ccc([S@](C)=O)cc1)C(=O)N1CCOCC1 C[S@](=O)[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)[*:1])C(=O)N1CCOCC1
CCc1ccc(N2C[C@@H](c3nc(-c4ccc(C#N)cn4)no3)CC2=O)cc1 CCc1ccc(cc1)[*:1] N#Cc1ccc(nc1)-c1noc(n1)[C@H]1CC(=O)N(C1)[*:1]
CCc1ccc(N2C[C@@H](c3nc(-c4ccc(C#N)cn4)no3)CC2=O)cc1 N#Cc1ccc(nc1)[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)c1nc(no1)[*:1]
CC[C@H](C)[C@H](C)[NH2+]Cc1cn2cccc(C)c2n1 CC[C@H](C)[*:1] Cc1cccn2cc(C[NH2+][C@@H](C)[*:1])nc12
CCc1nc(-c2cc(C)n(-c3nccs3)c2C)cs1 c1csc(n1)[*:1] CCc1nc(cs1)-c1cc(C)n(c1C)[*:1]
CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 CN(C)S(=O)(=O)[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1ccc(cc1)C(F)(F)F
CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] CN(C)S(=O)(=O)c1cccc(c1)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
CN(C)c1ccccc1CN(CCC(N)=O)c1ccc(F)cc1 NC(=O)CC[*:1] CN(C)c1ccccc1CN(c1ccc(F)cc1)[*:1]
CN(C)c1ccccc1CN(CCC(N)=O)c1ccc(F)cc1 NC(=O)[*:1] CN(C)c1ccccc1CN(CC[*:1])c1ccc(F)cc1
CN(C)c1ccccc1CN(CCC(N)=O)c1ccc(F)cc1 CN(C)[*:1] NC(=O)CCN(Cc1ccccc1[*:1])c1ccc(F)cc1
CN(C)c1ccccc1CN(CCC(N)=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C)c1ccccc1CN(CCC(N)=O)[*:1]
CN(C)c1ccccc1CN(CCC(N)=O)c1ccc(F)cc1 NC(=O)C[*:1] CN(C)c1ccccc1CN(C[*:1])c1ccc(F)cc1
C[C@@H](CCc1ccccc1)NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21
C[C@@H](CCc1ccccc1)NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21
C[C@@H](CCc1ccccc1)NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21)[*:1]
C[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccc(F)cc1Cl NC(=O)[*:1] C[C@H](NC(=O)c1cn(C[*:1])nn1)c1ccc(F)cc1Cl
C[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccc(F)cc1Cl NC(=O)C[*:1] C[C@H](NC(=O)c1cn(nn1)[*:1])c1ccc(F)cc1Cl
O=C(NCc1cc(=O)[nH]c2ccccc12)c1cc(Br)c[nH]1 Brc1c[nH]c(c1)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)[*:1]
CC(C)Oc1ccc([C@H]2CC(=O)N=C3C2=C([O-])OC3(C)C)cc1 CC(C)[*:1] CC1(C)OC([O-])=C2C1=NC(=O)C[C@@H]2c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H]2CC(=O)N=C3C2=C([O-])OC3(C)C)cc1 CC(C)O[*:1] CC1(C)OC([O-])=C2C1=NC(=O)C[C@@H]2c1ccc(cc1)[*:1]
O=C(NC[C@H](O)c1ccsc1)Nc1cnn(-c2ncccn2)c1 O[C@H](c1ccsc1)[*:1] O=C(NC[*:1])Nc1cnn(c1)-c1ncccn1
O=C(NC[C@H](O)c1ccsc1)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] O=C(NC[C@H](O)c1ccsc1)Nc1cnn(c1)[*:1]
O=C(NC[C@H](O)c1ccsc1)Nc1cnn(-c2ncccn2)c1 c1cc(cs1)[*:1] O=C(NC[C@H](O)[*:1])Nc1cnn(c1)-c1ncccn1
CCc1cccc(C)c1NC(=O)CSCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)CSC[*:1]
CCc1cc(I)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCc1cc(I)ccc1NC(=O)c1cccc(c1)[*:1]
COC1CC[NH+](CC(=O)N(C)CCC[NH3+])CC1 [NH3+]CCC[*:1] COC1CC[NH+](CC1)CC(=O)N(C)[*:1]
COC1CC[NH+](CC(=O)N(C)CCC[NH3+])CC1 [NH3+]CC[*:1] COC1CC[NH+](CC1)CC(=O)N(C)C[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@@](O)(c3ccccc3)C(F)(F)F)CC2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)NC[C@@](O)(C(F)(F)F)[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@@](O)(c3ccccc3)C(F)(F)F)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@@](O)(c3ccccc3)C(F)(F)F)CC2=O)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)NC[C@@](O)(c1ccccc1)[*:1]
Cc1ccccc1C(CO)(CO)Cc1nccs1 c1csc(n1)[*:1] Cc1ccccc1C(CO)(CO)C[*:1]
Cc1ccccc1C(CO)(CO)Cc1nccs1 c1csc(C[*:1])n1 Cc1ccccc1C(CO)(CO)[*:1]
CCN(CC)c1ncc(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)s1 CCN(CC)[*:1] O=C(C(=O)N1CCN(CC1)Cc1cnc(s1)[*:1])N1CCCC1
[NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccccc2C(F)(F)F)O1 FC(F)(F)[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)Nc1ccccc1[*:1]
N#CCC(=O)c1ccccc1Oc1cc(Cl)cc(Cl)c1 N#CCC(=O)[*:1] Clc1cc(Cl)cc(c1)Oc1ccccc1[*:1]
N#CCC(=O)c1ccccc1Oc1cc(Cl)cc(Cl)c1 N#CC[*:1] O=C(c1ccccc1Oc1cc(Cl)cc(Cl)c1)[*:1]
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)n(C)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)NC[C@@H]2CCO[C@H]2[*:1])n(C)n1
CCOc1cc2c(cc1OCC)[C@H]([C@H](C)CC)[NH2+]CC2 CCO[*:1] CCOc1cc2CC[NH2+][C@H](c2cc1[*:1])[C@H](C)CC
CCOc1cc2c(cc1OCC)[C@H]([C@H](C)CC)[NH2+]CC2 CC[C@@H](C)[*:1] CCOc1cc2CC[NH2+][C@@H](c2cc1OCC)[*:1]
CCOc1cc2c(cc1OCC)[C@H]([C@H](C)CC)[NH2+]CC2 CCO[*:1] CCOc1cc2c(cc1[*:1])CC[NH2+][C@H]2[C@H](C)CC
CCSc1nnc(/N=C(\[O-])c2cn(C[C@H]3CCCO3)cc3c(=O)[nH]nc2-3)s1 C1CO[C@H](C1)[*:1] CCSc1nnc(/N=C(\[O-])c2cn(cc3-c2n[nH]c3=O)C[*:1])s1
CCSc1nnc(/N=C(\[O-])c2cn(C[C@H]3CCCO3)cc3c(=O)[nH]nc2-3)s1 C1CO[C@H](C1)C[*:1] CCSc1nnc(/N=C(\[O-])c2cn(cc3-c2n[nH]c3=O)[*:1])s1
CCSc1nnc(/N=C(\[O-])c2cn(C[C@H]3CCCO3)cc3c(=O)[nH]nc2-3)s1 CCSc1nnc(s1)[*:1] O=c1[nH]nc2c(cn(cc1-2)C[C@H]1CCCO1)C([O-])=N[*:1]
CCSc1nnc(/N=C(\[O-])c2cn(C[C@H]3CCCO3)cc3c(=O)[nH]nc2-3)s1 CCS[*:1] O=c1[nH]nc2c(cn(cc1-2)C[C@H]1CCCO1)/C([O-])=N/c1nnc(s1)[*:1]
O=C(CCNc1ncccn1)N1CCN(c2cnccn2)CC1 c1cnc(nc1)N[*:1] O=C(CC[*:1])N1CCN(CC1)c1cnccn1
O=C(CCNc1ncccn1)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] O=C(CCNc1ncccn1)N1CCN(CC1)[*:1]
O=C(CCNc1ncccn1)N1CCN(c2cnccn2)CC1 c1cnc(nc1)[*:1] O=C(CCN[*:1])N1CCN(CC1)c1cnccn1
CC(C)c1ccc(C[NH+]2CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC2)cc1 CC(C)[*:1] C[C@H](NC(=O)CN1CC[NH+](CC1)Cc1ccc(cc1)[*:1])C(=O)N(C)C
CC(C)c1ccc(C[NH+]2CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC2)cc1 C[C@@H](C(=O)N(C)C)[*:1] CC(C)c1ccc(cc1)C[NH+]1CCN(CC1)CC(=O)N[*:1]
CC(C)c1ccc(C[NH+]2CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC2)cc1 CN(C)C(=O)[*:1] CC(C)c1ccc(cc1)C[NH+]1CCN(CC1)CC(=O)N[C@@H](C)[*:1]
CC(C)c1ccc(C[NH+]2CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC2)cc1 CC(C)c1ccc(cc1)[*:1] C[C@H](NC(=O)CN1CC[NH+](CC1)C[*:1])C(=O)N(C)C
CCN1CC[NH+](C[C@H](C)CNC(=O)NC2(c3ccccc3F)CC2)CC1 Fc1ccccc1[*:1] CCN1CC[NH+](CC1)C[C@H](C)CNC(=O)NC1(CC1)[*:1]
C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)CC(C)C)cc1 CC(C)[*:1] C=CCNC(=O)Nc1ccc(cc1)[N-]S(=O)(=O)C[*:1]
C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)CC(C)C)cc1 C=CC[*:1] CC(C)CS(=O)(=O)[N-]c1ccc(cc1)NC(=O)N[*:1]
C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)CC(C)C)cc1 C=CCNC(=O)N[*:1] CC(C)CS(=O)(=O)[N-]c1ccc(cc1)[*:1]
C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)CC(C)C)cc1 CC(C)C[*:1] C=CCNC(=O)Nc1ccc(cc1)[N-]S(=O)(=O)[*:1]
CCO[C@@H]1C[C@H]([O-])C12CCN(C(=O)c1n[nH]c3ccc(C)cc13)CC2 CCO[*:1] Cc1ccc2[nH]nc(C(=O)N3CCC4(CC3)[C@@H]([O-])C[C@H]4[*:1])c2c1
O=c1cc(CN(CCC(F)(F)F)C2CCCC2)[nH+]c2sccn12 FC(F)(F)[*:1] O=c1cc(CN(CC[*:1])C2CCCC2)[nH+]c2sccn12
O=c1cc(CN(CCC(F)(F)F)C2CCCC2)[nH+]c2sccn12 FC(F)(F)C[*:1] O=c1cc(CN(C[*:1])C2CCCC2)[nH+]c2sccn12
O=c1cc(CN(CCC(F)(F)F)C2CCCC2)[nH+]c2sccn12 C1CCC(C1)[*:1] O=c1cc(CN(CCC(F)(F)F)[*:1])[nH+]c2sccn12
O=c1cc(CN(CCC(F)(F)F)C2CCCC2)[nH+]c2sccn12 FC(F)(F)CC[*:1] O=c1cc(CN(C2CCCC2)[*:1])[nH+]c2sccn12
C=CCS(=O)(=O)/N=C(\[O-])c1cnn(-c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] C=CCS(=O)(=O)/N=C(\[O-])c1cnn(c1)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1cnn(-c2cccc(Cl)c2)c1 C=CC[*:1] O=S(=O)(/N=C(\[O-])c1cnn(c1)-c1cccc(Cl)c1)[*:1]
COc1cc(OC)c(NC(=O)CC2CCCCC2)cc1F C1CCC(CC1)C[*:1] COc1cc(OC)c(cc1F)NC(=O)[*:1]
COc1cc(OC)c(NC(=O)CC2CCCCC2)cc1F C1CCC(CC1)[*:1] COc1cc(OC)c(cc1F)NC(=O)C[*:1]
C[C@H](NC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)c1ccc2c(c1)OCCO2 Clc1cccc(c1)[*:1] C[C@H](NC(=O)CN1C(=O)C(=C[*:1])Oc2ccccc21)c1ccc2OCCOc2c1
C[C@H](NC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C[C@H](NC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)Cn2ccc(=O)[nH]c2=O)c(OC)c1 O=c1ccn(c(=O)[nH]1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CCCN1C(=O)C[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCCSc3ccccc32)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(NC(=O)CN2CCCSc3ccccc32)C1=O)[*:1]
OCC1(C[NH2+]Cc2c(F)cccc2Cl)CC1 OCC1(CC1)[*:1] Fc1cccc(Cl)c1C[NH2+]C[*:1]
O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 O=[N+]([O-])[*:1] O=C(CCc1cccc(c1)[*:1])N1CCC(CC1)Cc1ccccc1
O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CCc1cccc(c1)[N+](=O)[O-])N1CCC(CC1)[*:1]
O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCc1cccc(c1)[N+](=O)[O-])N1CCC(CC1)C[*:1]
CC[NH2+][C@@H](c1ncc[nH]1)[C@@H]1CCO[C@]2(CCSC2)C1 c1c[nH]c(n1)[*:1] CC[NH2+][C@@H]([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CC[NH2+][C@H](c1ccc[nH+]c1N)C1(N2CCCC2)CCCC1 C1CCN(C1)[*:1] CC[NH2+][C@H](c1ccc[nH+]c1N)C1(CCCC1)[*:1]
C[C@H](NC(=O)Cc1ccccc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)Cc1ccccc1)[*:1]
O=S1(=O)COCCN1Cc1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] O=S1(=O)COCCN1Cc1cccc(c1F)[*:1]
Cc1ccccc1-c1noc(-c2cccnc2)n1 c1cncc(c1)[*:1] Cc1ccccc1-c1noc(n1)[*:1]
O=C1O[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C(Nc2ccccc2)=C1Cl c1ccc(cc1)N[*:1] O=C1O[C@@H](OC(=O)c2ccc(cc2)[N+](=O)[O-])C(=C1Cl)[*:1]
O=C1O[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C(Nc2ccccc2)=C1Cl O=[N+]([O-])[*:1] O=C1O[C@@H](OC(=O)c2ccc(cc2)[*:1])C(Nc2ccccc2)=C1Cl
O=C1O[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C(Nc2ccccc2)=C1Cl c1ccc(cc1)[*:1] O=C1O[C@@H](OC(=O)c2ccc(cc2)[N+](=O)[O-])C(N[*:1])=C1Cl
CCO[C@@H]1C[C@H](NC(=O)c2cccc(OC)n2)C12CCCC2 CCO[*:1] COc1cccc(n1)C(=O)N[C@H]1C[C@H](C12CCCC2)[*:1]
NC(=O)C1CCN(C(=O)CNc2cccc(C#Cc3ccccc3)c2)CC1 c1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)CNc1cccc(C#C[*:1])c1
NC(=O)C1CCN(C(=O)CNc2cccc(C#Cc3ccccc3)c2)CC1 C(#C[*:1])c1ccccc1 NC(=O)C1CCN(CC1)C(=O)CNc1cccc(c1)[*:1]
NC(=O)C1CCN(C(=O)CNc2cccc(C#Cc3ccccc3)c2)CC1 NC(=O)[*:1] O=C(CNc1cccc(C#Cc2ccccc2)c1)N1CCC(CC1)[*:1]
COc1ccc([C@H](CNC(=O)c2cc(F)cc(F)c2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)c1cc(F)cc(F)c1)[*:1]
COc1ccc([C@H](CNC(=O)c2cc(F)cc(F)c2)N2CCOCC2)cc1 Fc1cc(F)cc(c1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)[*:1])N1CCOCC1
COc1ccc([C@H](CNC(=O)c2cc(F)cc(F)c2)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1cc(F)cc(F)c1
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C2OCCO2)c1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)Nc1cccc(c1)C1OCCO1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C2OCCO2)c1 C1COC(O1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(c1)[*:1]
COCCOc1ccc(F)cc1NC(=O)N(C)[C@H](C)c1ccco1 COCCO[*:1] C[C@H](c1ccco1)N(C)C(=O)Nc1cc(F)ccc1[*:1]
COCCOc1ccc(F)cc1NC(=O)N(C)[C@H](C)c1ccco1 c1coc(c1)[*:1] COCCOc1ccc(F)cc1NC(=O)N(C)[C@H](C)[*:1]
COCCOc1ccc(F)cc1NC(=O)N(C)[C@H](C)c1ccco1 COCC[*:1] C[C@H](c1ccco1)N(C)C(=O)Nc1cc(F)ccc1O[*:1]
COCCOc1ccc(F)cc1NC(=O)N(C)[C@H](C)c1ccco1 COC[*:1] C[C@H](c1ccco1)N(C)C(=O)Nc1cc(F)ccc1OC[*:1]
Cc1cccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])n1 C1CCCN(CC1)[*:1] Cc1cccc(n1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1cccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])n1 Cc1cccc(n1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCCCCC1)N[*:1]
Cc1cccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])n1 Cc1cccc(n1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCCCCC1
Cc1cccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1cccc(n1)Nc1ncnc(c1[*:1])N1CCCCCC1
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(-c2nnco2)cc1 c1nnc(o1)[*:1] CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(cc1)[*:1]
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(-c2nnco2)cc1 Clc1ccc(cc1Cl)[*:1] CN(C[*:1])C(=O)COc1ccc(cc1)-c1nnco1
COc1ccc(NC(=O)Cn2ccn(-c3ccc(Cl)cc3)c(=O)c2=O)c(OC)c1 Clc1ccc(cc1)[*:1] COc1ccc(NC(=O)Cn2ccn(c(=O)c2=O)[*:1])c(c1)OC
Fc1cccc([C@@H]2C[NH2+]CC[C@H]2C2CCCCC2)c1 C1CCC(CC1)[*:1] Fc1cccc(c1)[C@@H]1C[NH2+]CC[C@@H]1[*:1]
CC(C)(C)c1csc(C[NH2+]CC[C@@H]2CCCO2)n1 C1CO[C@@H](C1)C[*:1] CC(C)(C)c1csc(C[NH2+]C[*:1])n1
CC(C)(C)c1csc(C[NH2+]CC[C@@H]2CCCO2)n1 CC(C)(C)[*:1] c1sc(C[NH2+]CC[C@@H]2CCCO2)nc1[*:1]
CC(C)(C)c1csc(C[NH2+]CC[C@@H]2CCCO2)n1 C1CO[C@@H](C1)[*:1] CC(C)(C)c1csc(C[NH2+]CC[*:1])n1
Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccc(Cl)c(Cl)c2)NCc2ccc3c(c2)OCO3)n1 c1cc2OCOc2cc1[*:1] Cc1cc(C)nc(n1)N/C(=N/C(=O)Nc1ccc(Cl)c(Cl)c1)NC[*:1]
Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccc(Cl)c(Cl)c2)NCc2ccc3c(c2)OCO3)n1 c1cc2OCOc2cc1C[*:1] Cc1cc(C)nc(n1)N/C(=N/C(=O)Nc1ccc(Cl)c(Cl)c1)N[*:1]
Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccc(Cl)c(Cl)c2)NCc2ccc3c(c2)OCO3)n1 Cc1cc(C)nc(n1)[*:1] O=C(/N=C(\NCc1ccc2OCOc2c1)N[*:1])Nc1ccc(Cl)c(Cl)c1
Cc1cc(C)nc(N/C(=N/C(=O)Nc2ccc(Cl)c(Cl)c2)NCc2ccc3c(c2)OCO3)n1 Clc1ccc(cc1Cl)[*:1] Cc1cc(C)nc(n1)N/C(=N/C(=O)N[*:1])NCc1ccc2OCOc2c1
O=C(COCc1ccccc1)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(COC[*:1])Nc1ccccc1Cc1ccccc1
O=C(COCc1ccccc1)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CO[*:1])Nc1ccccc1Cc1ccccc1
O=C(COCc1ccccc1)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(COCc1ccccc1)Nc1ccccc1C[*:1]
O=C(COCc1ccccc1)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(COCc1ccccc1)Nc1ccccc1[*:1]
O=C(COCc1ccccc1)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)CO[*:1] O=C(C[*:1])Nc1ccccc1Cc1ccccc1
CC[C@]1(C)Cc2nc3sc4c(=O)n(CC(=O)Nc5ccc(OC)cc5)cnc4c3cc2CO1 COc1ccc(cc1)NC(=O)[*:1] CC[C@]1(C)Cc2nc3sc4c(=O)n(cnc4c3cc2CO1)C[*:1]
CC[C@]1(C)Cc2nc3sc4c(=O)n(CC(=O)Nc5ccc(OC)cc5)cnc4c3cc2CO1 COc1ccc(cc1)[*:1] CC[C@]1(C)Cc2nc3sc4c(=O)n(cnc4c3cc2CO1)CC(=O)N[*:1]
Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)n1 Cc1cc(C)n(n1)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N1CCCC[C@@H]1C[*:1]
Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)n1 Cc1cc(C)n(C[*:1])n1 NC(=O)N1CCC[C@H](C1)C(=O)N1CCCC[C@@H]1[*:1]
C[C@@H]1S[C@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N(c2ccc(F)cc2)C1=O C1CN(CCO1)C[*:1] C[C@@H]1S[C@]2(C(=O)N(c3ccccc32)[*:1])N(C1=O)c1ccc(F)cc1
C[C@@H]1S[C@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N(c2ccc(F)cc2)C1=O C1CN(CCO1)[*:1] C[C@@H]1S[C@]2(C(=O)N(C[*:1])c3ccccc32)N(C1=O)c1ccc(F)cc1
C[C@@H]1S[C@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] C[C@@H]1S[C@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N(C1=O)[*:1]
N#Cc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
COc1cc(C=O)cc(Cl)c1OC[C@H](C)C(N)=O C[C@@H](C[*:1])C(N)=O COc1cc(C=O)cc(Cl)c1O[*:1]
COc1cc(C=O)cc(Cl)c1OC[C@H](C)C(N)=O C[C@H](C(N)=O)[*:1] COc1cc(C=O)cc(Cl)c1OC[*:1]
COc1cc(C=O)cc(Cl)c1OC[C@H](C)C(N)=O NC(=O)[*:1] COc1cc(C=O)cc(Cl)c1OC[C@H](C)[*:1]
COc1c(Br)cccc1CNC(=O)N(C)[C@H](C)C1CC1 C[C@H](C1CC1)[*:1] COc1c(Br)cccc1CNC(=O)N(C)[*:1]
COc1c(Br)cccc1CNC(=O)N(C)[C@H](C)C1CC1 C1CC1[*:1] COc1c(Br)cccc1CNC(=O)N(C)[C@H](C)[*:1]
COc1cccc(N2C[C@H](C)N(C(=O)Cc3c(C)nc(N)nc3C)CC2=O)c1 COc1cccc(c1)[*:1] Cc1nc(N)nc(C)c1CC(=O)N1CC(=O)N(C[C@@H]1C)[*:1]
COc1cccc(N2C[C@H](C)N(C(=O)Cc3c(C)nc(N)nc3C)CC2=O)c1 Cc1nc(N)nc(C)c1[*:1] COc1cccc(c1)N1C[C@H](C)N(CC1=O)C(=O)C[*:1]
CC[C@H](NC(=O)NC[C@@H](C)c1ccc(F)cc1F)c1c(C)nn(C)c1C Fc1ccc(c(F)c1)[*:1] CC[C@H](NC(=O)NC[C@@H](C)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)NC[C@@H](C)c1ccc(F)cc1F)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)NC[C@@H](C)c1ccc(F)cc1F)[*:1]
CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)N1CCOCC1 CCO[*:1] [NH3+][C@@H]1C[C@H]([C@H]1NC(=O)N1CCOCC1)[*:1]
Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc2ccccc2c1 Cc1noc(C)c1[*:1] C[C@H]([NH2+]Cc1ccc2ccccc2c1)[*:1]
O=S1(=O)C[C@@H](O)[C@@H]([NH2+]CCCN2CCOCC2)C1 C1CN(CCO1)[*:1] O=S1(=O)C[C@@H](O)[C@H](C1)[NH2+]CCC[*:1]
Cc1c(Cl)cccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O Cc1c(Cl)cccc1[*:1] O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[*:1]
O=C(Nc1ccccc1-n1cncn1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc(c(c1)-n1cncn1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C(Nc1ccccc1-n1cncn1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ncn(n1)[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
O=C(Nc1ccccc1-n1cncn1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 c1ccc2cc(ccc2c1)[*:1] O=C(Nc1ccccc1-n1cncn1)C1CCN(CC1)S(=O)(=O)[*:1]
CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cccs1 c1csc(c1)[*:1] CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)[*:1]
CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cccs1 CCO[*:1] N#Cc1cc(Br)c(OS(=O)(=O)c2cccs2)c(c1)[*:1]
CCOC(=O)[C@@](O)(CC)[C@H](C)c1ccc(F)cc1F CCOC(=O)[*:1] CC[C@](O)([C@H](C)c1ccc(F)cc1F)[*:1]
Cc1ccc(OCCCN2C(=O)[C@H](C)CN(C=O)c3ccccc32)c(C)c1 Cc1ccc(O[*:1])c(C)c1 C[C@@H]1CN(C=O)c2ccccc2N(CCC[*:1])C1=O
Cc1ccc(OCCCN2C(=O)[C@H](C)CN(C=O)c3ccccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H]1CN(C=O)c2ccccc2N(CCCO[*:1])C1=O
CCc1nc(C[NH+]2CCN(Cc3cc(OC)c(O)c([N+](=O)[O-])c3)CC2)no1 CCc1nc(no1)[*:1] COc1cc(cc(c1O)[N+](=O)[O-])CN1CC[NH+](CC1)C[*:1]
CCc1nc(C[NH+]2CCN(Cc3cc(OC)c(O)c([N+](=O)[O-])c3)CC2)no1 CCc1nc(C[*:1])no1 COc1cc(cc(c1O)[N+](=O)[O-])CN1CC[NH+](CC1)[*:1]
CCc1nc(C[NH+]2CCN(Cc3cc(OC)c(O)c([N+](=O)[O-])c3)CC2)no1 O=[N+]([O-])[*:1] CCc1nc(C[NH+]2CCN(CC2)Cc2cc(OC)c(O)c(c2)[*:1])no1
C[C@@H]1CN(CC(=O)NCc2ccccn2)c2ccccc2O1 c1ccc(nc1)[*:1] C[C@@H]1CN(CC(=O)NC[*:1])c2ccccc2O1
C[C@@H]1CN(CC(=O)NCc2ccccn2)c2ccccc2O1 c1ccc(C[*:1])nc1 C[C@@H]1CN(CC(=O)N[*:1])c2ccccc2O1
CCCCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 CCCCNC(=O)C[*:1] c1ccc2c(c1)nc(S[*:1])n1c3ccccc3nc21
CCCCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 CCCC[*:1] O=C(CSc1nc2ccccc2c2nc3ccccc3n12)N[*:1]
CCCCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 CCCCNC(=O)[*:1] c1ccc2c(c1)nc(SC[*:1])n1c3ccccc3nc21
CCCCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 CCC[*:1] O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NC[*:1]
CC(C)OC(=O)N(CC(=O)[O-])C(C)(C)C CC(C)[*:1] CC(C)(C)N(CC(=O)[O-])C(=O)O[*:1]
CC(C)OC(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])C[*:1] CC(C)OC(=O)N(C(C)(C)C)[*:1]
CC(C)OC(=O)N(CC(=O)[O-])C(C)(C)C CC(C)(C)[*:1] CC(C)OC(=O)N(CC(=O)[O-])[*:1]
CC(C)OC(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])[*:1] CC(C)OC(=O)N(C[*:1])C(C)(C)C
Cc1ccc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nn1 Cc1ccc(nn1)[*:1] c1ccc2[nH]c(nc2c1)[C@H]1CCCN(C1)[*:1]
CC(=O)[C@@](C#N)(CC[C@H]1CCCO1)c1ccccc1 C1CO[C@H](C1)[*:1] CC(=O)[C@@](C#N)(CC[*:1])c1ccccc1
CC(=O)[C@@](C#N)(CC[C@H]1CCCO1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)[C@@](C#N)(CC[C@H]1CCCO1)[*:1]
CC(=O)[C@@](C#N)(CC[C@H]1CCCO1)c1ccccc1 CC(=O)[*:1] N#C[C@@](CC[C@H]1CCCO1)(c1ccccc1)[*:1]
CC(=O)[C@@](C#N)(CC[C@H]1CCCO1)c1ccccc1 C1CO[C@H](C1)C[*:1] CC(=O)[C@@](C#N)(C[*:1])c1ccccc1
COCC(=O)N(CCC(N)=O)c1ccccc1 COC[*:1] NC(=O)CCN(C(=O)[*:1])c1ccccc1
COCC(=O)N(CCC(N)=O)c1ccccc1 NC(=O)[*:1] COCC(=O)N(CC[*:1])c1ccccc1
COCC(=O)N(CCC(N)=O)c1ccccc1 NC(=O)CC[*:1] COCC(=O)N(c1ccccc1)[*:1]
COCC(=O)N(CCC(N)=O)c1ccccc1 NC(=O)C[*:1] COCC(=O)N(C[*:1])c1ccccc1
Cc1cc(C)nc(N[C@@]2(C(F)(F)F)N=C(O)N(CCc3ccccc3)C2=O)n1 FC(F)(F)[*:1] Cc1cc(C)nc(n1)N[C@]1(N=C(O)N(CCc2ccccc2)C1=O)[*:1]
Cc1cc(C)nc(N[C@@]2(C(F)(F)F)N=C(O)N(CCc3ccccc3)C2=O)n1 Cc1cc(C)nc(n1)N[*:1] O=C1N(CCc2ccccc2)C(O)=N[C@@]1(C(F)(F)F)[*:1]
Cc1cc(C)nc(N[C@@]2(C(F)(F)F)N=C(O)N(CCc3ccccc3)C2=O)n1 Cc1cc(C)nc(n1)[*:1] O=C1N(CCc2ccccc2)C(O)=N[C@@]1(N[*:1])C(F)(F)F
Cc1cc(C)nc(N[C@@]2(C(F)(F)F)N=C(O)N(CCc3ccccc3)C2=O)n1 c1ccc(cc1)CC[*:1] Cc1cc(C)nc(n1)N[C@]1(N=C(O)N(C1=O)[*:1])C(F)(F)F
Cc1cc(C)nc(N[C@@]2(C(F)(F)F)N=C(O)N(CCc3ccccc3)C2=O)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)N[C@]1(N=C(O)N(CC[*:1])C1=O)C(F)(F)F
Cc1cc(C)nc(N[C@@]2(C(F)(F)F)N=C(O)N(CCc3ccccc3)C2=O)n1 c1ccc(cc1)C[*:1] Cc1cc(C)nc(n1)N[C@]1(N=C(O)N(C[*:1])C1=O)C(F)(F)F
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cn2ccsc2n1 Clc1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)NCc1cn2ccsc2n1
COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2OC)c1C#N c1ccc(cc1)[*:1] COC(=O)CSc1nc(cc(-c2ccccc2OC)c1C#N)[*:1]
COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2OC)c1C#N COc1ccccc1[*:1] COC(=O)CSc1nc(cc(c1C#N)[*:1])-c1ccccc1
COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2OC)c1C#N COC(=O)[*:1] COc1ccccc1-c1cc(nc(SC[*:1])c1C#N)-c1ccccc1
COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2OC)c1C#N COC(=O)C[*:1] COc1ccccc1-c1cc(nc(S[*:1])c1C#N)-c1ccccc1
COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2OC)c1C#N COC(=O)CS[*:1] COc1ccccc1-c1cc(nc(c1C#N)[*:1])-c1ccccc1
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1-c1ccccc1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1-c1ccccc1)[*:1]
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1-c1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1[*:1])C(=O)[O-]
C[C@H](O)[C@H](C)Oc1ccc(Br)cc1C=O C[C@H](O)[C@H](C)[*:1] O=Cc1cc(Br)ccc1O[*:1]
C[C@H](O)[C@H](C)Oc1ccc(Br)cc1C=O C[C@H](O)[*:1] C[C@H](Oc1ccc(Br)cc1C=O)[*:1]
Nc1cc(Br)ccc1NC(=O)C[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] Nc1cc(Br)ccc1NC(=O)C[*:1]
Cc1cccc(/C=C/C(=O)Nc2ccc3c(c2)OCCCO3)c1 Cc1cccc(c1)[*:1] O=C(C=C[*:1])Nc1ccc2OCCCOc2c1
CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(C#N)nc2)C1 CC(C)(C)[*:1] N#Cc1ccc(cn1)N[C@H]1CCCN(C1)C(=O)O[*:1]
O[C@H](COc1ccc(F)cc1)CN1CCN(c2nc(-c3ccccc3)ns2)CC1 c1ccc(cc1)[*:1] O[C@H](COc1ccc(F)cc1)CN1CCN(CC1)c1nc(ns1)[*:1]
O[C@H](COc1ccc(F)cc1)CN1CCN(c2nc(-c3ccccc3)ns2)CC1 Fc1ccc(cc1)OC[*:1] O[C@H](CN1CCN(CC1)c1nc(ns1)-c1ccccc1)[*:1]
O[C@H](COc1ccc(F)cc1)CN1CCN(c2nc(-c3ccccc3)ns2)CC1 Fc1ccc(cc1)O[*:1] O[C@@H](CN1CCN(CC1)c1nc(ns1)-c1ccccc1)C[*:1]
O[C@H](COc1ccc(F)cc1)CN1CCN(c2nc(-c3ccccc3)ns2)CC1 Fc1ccc(cc1)[*:1] O[C@H](CO[*:1])CN1CCN(CC1)c1nc(ns1)-c1ccccc1
C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(c(F)c1)[*:1]
CC(C)Cn1nc(C(=O)N(C)C[C@H](O)C2CC2)c2ccccc2c1=O CC(C)C[*:1] CN(C[C@H](O)C1CC1)C(=O)c1nn(c(=O)c2ccccc12)[*:1]
CC(C)Cn1nc(C(=O)N(C)C[C@H](O)C2CC2)c2ccccc2c1=O C1CC1[*:1] CC(C)Cn1nc(C(=O)N(C)C[C@H](O)[*:1])c2ccccc2c1=O
CC(C)Cn1nc(C(=O)N(C)C[C@H](O)C2CC2)c2ccccc2c1=O CC(C)[*:1] CN(C[C@H](O)C1CC1)C(=O)c1nn(C[*:1])c(=O)c2ccccc12
C[C@@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)N[*:1]
C[C@@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1 Oc1ccc(cc1)[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)Nc1cccc(Cl)c1
CCOC(=O)c1nc(-c2ccccc2)oc1CN1[C@@H](C)COC[C@H]1C c1ccc(cc1)[*:1] CCOC(=O)c1nc(oc1CN1[C@@H](C)COC[C@H]1C)[*:1]
CCOC(=O)c1nc(-c2ccccc2)oc1CN1[C@@H](C)COC[C@H]1C CCOC(=O)[*:1] C[C@H]1COC[C@@H](C)N1Cc1oc(nc1[*:1])-c1ccccc1
CC(=O)c1ccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)cc1 CC(=O)[*:1] O=C(CSc1ncnc2c(c[nH]c12)-c1ccccc1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(CSc1ncnc2c(c[nH]c12)-c1ccccc1)N[*:1]
CC(=O)c1ccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1ncnc2c(c[nH]c12)[*:1]
CCCNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C CCC[*:1] Cc1cc(C(=O)N[*:1])c2c(=O)[nH]n(C)c2n1
CCCNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C CCCNC(=O)[*:1] Cc1cc(c2c(=O)[nH]n(C)c2n1)[*:1]
Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)COC2 Cc1nnnn1[*:1] O=C(Nc1ccc2COCc2c1)[C@H](Cc1cccc(F)c1)[*:1]
Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)COC2 Fc1cccc(c1)[*:1] Cc1nnnn1[C@@H](C[*:1])C(=O)Nc1ccc2COCc2c1
Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)COC2 Fc1cccc(c1)C[*:1] Cc1nnnn1[C@@H](C(=O)Nc1ccc2COCc2c1)[*:1]
Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)COC2 c1cc2COCc2cc1[*:1] Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[*:1]
C#CCN(Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] CCOc1ccc(cc1OC)CN([C@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 CCO[*:1] C#CCN(Cc1ccc(c(c1)OC)[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(O[*:1])c(Cl)c1
CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 CC(C)[*:1] NC(=O)N[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 NC(=O)N[*:1] CC(C)[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
O=C(Nc1cnn(CC(=O)N2CCC[C@H](C(=O)c3cccs3)C2)c1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(c1cccs1)[C@H]1CCCN(C1)C(=O)Cn1cc(cn1)NC(=O)[*:1]
O=C(Nc1cnn(CC(=O)N2CCC[C@H](C(=O)c3cccs3)C2)c1)c1ccc2c(c1)OCO2 O=C(c1cccs1)[*:1] O=C(Nc1cnn(c1)CC(=O)N1CCC[C@H](C1)[*:1])c1ccc2OCOc2c1
O=C(Nc1cnn(CC(=O)N2CCC[C@H](C(=O)c3cccs3)C2)c1)c1ccc2c(c1)OCO2 c1csc(c1)[*:1] O=C(Nc1cnn(c1)CC(=O)N1CCC[C@@H](C1)C(=O)[*:1])c1ccc2OCOc2c1
CCCOC/C([O-])=N/S(=O)(=O)c1cccs1 CCCO[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1cccs1
CCCOC/C([O-])=N/S(=O)(=O)c1cccs1 CCCOC[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1cccs1
CCCOC/C([O-])=N/S(=O)(=O)c1cccs1 CCC[*:1] O=S(=O)(/N=C(\[O-])CO[*:1])c1cccs1
CCCOC/C([O-])=N/S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CCCOC/C([O-])=N/S(=O)(=O)[*:1]
OCCSc1nc(-c2ccccc2)n[nH]1 OCCS[*:1] c1ccc(cc1)-c1n[nH]c(n1)[*:1]
OCCSc1nc(-c2ccccc2)n[nH]1 OCC[*:1] c1ccc(cc1)-c1n[nH]c(n1)S[*:1]
C=CC(C)(C)c1cc2ccc(OC)c(O)c2oc1=O C=CC(C)(C)[*:1] COc1ccc2cc(c(=O)oc2c1O)[*:1]
CN(CCc1ccc(F)cc1)Cc1ccc([S@@](C)=O)cc1 Fc1ccc(cc1)[*:1] CN(CC[*:1])Cc1ccc(cc1)[S@@](C)=O
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)N1CCCCC1)N[*:1]
COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(F)cc1 COC[*:1] O=c1c2cnc3c(-c4ccc(F)cc4)c(nn3c2ccn1Cc1ccccc1)[*:1]
COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)Cc2ccccc2)c1[*:1]
COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(F)cc1 c1ccc(cc1)C[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)[*:1])c1-c1ccc(F)cc1
COCc1nn2c(ncc3c(=O)n(Cc4ccccc4)ccc32)c1-c1ccc(F)cc1 c1ccc(cc1)[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)C[*:1])c1-c1ccc(F)cc1
Cc1ccn2c(/N=C(\[O-])c3sc(-c4cnn(C)c4)nc3C)nnc2c1 Cn1cc(cn1)[*:1] Cc1ccn2c(/N=C(\[O-])c3sc(nc3C)[*:1])nnc2c1
C[C@H](OCc1ccccc1)C(=O)NCC(=O)Nc1cccc2ccccc12 c1ccc(cc1)CO[*:1] C[C@H](C(=O)NCC(=O)Nc1cccc2ccccc12)[*:1]
C[C@H](OCc1ccccc1)C(=O)NCC(=O)Nc1cccc2ccccc12 c1ccc(cc1)[*:1] C[C@H](OC[*:1])C(=O)NCC(=O)Nc1cccc2ccccc12
C[C@H](OCc1ccccc1)C(=O)NCC(=O)Nc1cccc2ccccc12 c1ccc(cc1)C[*:1] C[C@H](O[*:1])C(=O)NCC(=O)Nc1cccc2ccccc12
O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1cnc2n(c1=O)CCS2 Brc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cnc2SCCn2c1=O
O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1cnc2n(c1=O)CCS2 Brc1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1cnc2SCCn2c1=O
O=[N+]([O-])c1ccc(-n2nncc2-c2ccco2)cc1 O=[N+]([O-])[*:1] c1coc(c1)-c1cnnn1-c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(-n2nncc2-c2ccco2)cc1 c1coc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)-n1nncc1[*:1]
Cc1nn(C)c2ncc(NC(=O)N(C)[C@@H](C)c3ccccc3Cl)cc12 Clc1ccccc1[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)N(C)[C@@H](C)[*:1]
CC(C)(C)[C@@H](O)Cn1cccn1 CC(C)(C)[*:1] O[C@@H](Cn1cccn1)[*:1]
CCCC[C@@H]1NC(=O)N(CC(=O)N2C[C@@H](C)C[C@H](C)C2)C1=O CCCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CN1C(=O)N[C@H](C1=O)[*:1]
CCCC[C@@H]1NC(=O)N(CC(=O)N2C[C@@H](C)C[C@H](C)C2)C1=O CCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CN1C(=O)N[C@@H](C[*:1])C1=O
Cc1nc(-c2ccccc2F)sc1C(=O)NCc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cc1nc(sc1C(=O)NCc1ccc(cc1)[*:1])-c1ccccc1F
Cc1nc(-c2ccccc2F)sc1C(=O)NCc1ccc(C(=O)[O-])cc1 Fc1ccccc1[*:1] Cc1nc(sc1C(=O)NCc1ccc(cc1)C(=O)[O-])[*:1]
Nc1nnc(Sc2nc3ccccc3nc2NCc2ccccc2)s1 c1ccc(cc1)C[*:1] Nc1nnc(Sc2nc3ccccc3nc2N[*:1])s1
Nc1nnc(Sc2nc3ccccc3nc2NCc2ccccc2)s1 Nc1nnc(s1)[*:1] c1ccc(cc1)CNc1nc2ccccc2nc1S[*:1]
Nc1nnc(Sc2nc3ccccc3nc2NCc2ccccc2)s1 c1ccc(cc1)[*:1] Nc1nnc(Sc2nc3ccccc3nc2NC[*:1])s1
Nc1nnc(Sc2nc3ccccc3nc2NCc2ccccc2)s1 c1ccc(cc1)CN[*:1] Nc1nnc(Sc2nc3ccccc3nc2[*:1])s1
O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21)N[C@@H]1CCCc2ccccc21 c1ccc(cc1)C[*:1] O=C(Cn1c(=O)c(=O)n(c2ccccc21)[*:1])N[C@@H]1CCCc2ccccc21
O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21)N[C@@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(Cn1c(=O)c(=O)n(C[*:1])c2ccccc21)N[C@@H]1CCCc2ccccc21
C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](O)C1)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](O)C1)c1nc(no1)[*:1]
C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccs1 c1csc(c1)[*:1] CC(=NNC(=O)c1ccc(Br)cc1)[*:1]
COC(=O)[C@H]1c2ccsc2CCN1C(=O)c1nc2ccccc2s1 COC(=O)[*:1] O=C(c1nc2ccccc2s1)N1CCc2sccc2[C@@H]1[*:1]
CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccccc1N(C)C CN(C)[*:1] CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccccc1[*:1]
CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccccc1N(C)C Clc1ccc(s1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccccc1N(C)C
CN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccccc1N(C)C Clc1ccc(C[*:1])s1 CN(C)c1ccccc1NC(=O)C(=O)N(C)[*:1]
CC[C@H](C)N(C)C(=O)Nc1ccc2c(c1)OCCO2 CC[C@H](C)[*:1] CN(C(=O)Nc1ccc2OCCOc2c1)[*:1]
COc1nc2c(cc1C(=O)N1CCOC[C@H]1CC(=O)N1CCCC1)CCC2 O=C(C[*:1])N1CCCC1 COc1nc2CCCc2cc1C(=O)N1CCOC[C@@H]1[*:1]
COc1nc2c(cc1C(=O)N1CCOC[C@H]1CC(=O)N1CCCC1)CCC2 O=C(N1CCCC1)[*:1] COc1nc2CCCc2cc1C(=O)N1CCOC[C@H]1C[*:1]
S=C1SCCN1CN1CCC([NH+]2CCCCC2)CC1 S=C1SCCN1[*:1] C1CC[NH+](CC1)C1CCN(CC1)C[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1Br Fc1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)N[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1Br CCN(CC)S(=O)(=O)[*:1] O=C(Nc1ccc(F)cc1)c1ccc(Br)c(c1)[*:1]
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1)/N=C/c1cc(ccc1[O-])[*:1])N1CCCC1
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 O=S(=O)(N1CCCC1)[*:1] O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(cc2)[*:1])c1
O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(F)c(Cl)nc1Cl O=[N+]([O-])[*:1] O=C(NCCc1cccc(c1)[*:1])c1cc(F)c(Cl)nc1Cl
COc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(s2)CCCC3)cc1 COc1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])Nc1nc2CCCCc2s1
COCCNC(=O)NCC(=O)c1ccc2c(c1)OCCO2 COCC[*:1] O=C(NCC(=O)c1ccc2OCCOc2c1)N[*:1]
COCCNC(=O)NCC(=O)c1ccc2c(c1)OCCO2 COC[*:1] O=C(NCC(=O)c1ccc2OCCOc2c1)NC[*:1]
Cc1ccc2c(c1)OCCN2C(=O)C1CC1 C1CC1[*:1] Cc1ccc2c(c1)OCCN2C(=O)[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2s1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1nc2ccccc2s1
Cc1ccc(-c2cc3c(nc(C)n3[C@@H]3CCS(=O)(=O)C3)c(C(=O)NCc3ccncc3)n2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)-c1cc2c(nc(C)n2[C@@H]2CCS(=O)(=O)C2)c(n1)C(=O)NC[*:1]
Cc1ccc(-c2cc3c(nc(C)n3[C@@H]3CCS(=O)(=O)C3)c(C(=O)NCc3ccncc3)n2)cc1 O=C(NCc1ccncc1)[*:1] Cc1ccc(cc1)-c1cc2c(nc(C)n2[C@@H]2CCS(=O)(=O)C2)c(n1)[*:1]
Cc1ccc(-c2cc3c(nc(C)n3[C@@H]3CCS(=O)(=O)C3)c(C(=O)NCc3ccncc3)n2)cc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1)-c1cc2c(nc(C)n2[C@@H]2CCS(=O)(=O)C2)c(n1)C(=O)N[*:1]
Cc1ccc(-c2cc3c(nc(C)n3[C@@H]3CCS(=O)(=O)C3)c(C(=O)NCc3ccncc3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1nc2c(nc(cc2n1[C@@H]1CCS(=O)(=O)C1)[*:1])C(=O)NCc1ccncc1
COc1cc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc(Cl)c1OC CN(C)S(=O)(=O)[*:1] COc1cc(/C=C/C(=O)Nc2ccc(C)c(c2)[*:1])cc(Cl)c1OC
CC(C)CC(=O)C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 CC(C)C[*:1] O=C(Nc1cccc(c1)-c1ccc(F)cc1)[C@H]1CCCN(C1)C(=O)C(=O)[*:1]
CC(C)CC(=O)C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 CC(C)[*:1] O=C(C[*:1])C(=O)N1CCC[C@@H](C1)C(=O)Nc1cccc(c1)-c1ccc(F)cc1
CC(C)CC(=O)C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 Fc1ccc(cc1)[*:1] CC(C)CC(=O)C(=O)N1CCC[C@@H](C1)C(=O)Nc1cccc(c1)[*:1]
COC[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CCOC1 COC[*:1] O[C@]1(CCOC1)C[NH2+][C@@H](Cc1ccccc1)[*:1]
COC[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CCOC1 c1ccc(cc1)[*:1] COC[C@H](C[*:1])[NH2+]C[C@]1(O)CCOC1
COc1cc(C[NH2+][C@H](C)c2cc3ccccc3o2)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(cc(c1O)[*:1])C[NH2+][C@H](C)c1cc2ccccc2o1
CCN1C[C@@H](C(=O)N2CCC[C@H](c3cc(NC)nc(-c4ccncc4)n3)C2)CC1=O CCN1C[C@@H](CC1=O)[*:1] CNc1cc(nc(n1)-c1ccncc1)[C@H]1CCCN(C1)C(=O)[*:1]
CCN1C[C@@H](C(=O)N2CCC[C@H](c3cc(NC)nc(-c4ccncc4)n3)C2)CC1=O c1cc(ccn1)[*:1] CCN1C[C@H](CC1=O)C(=O)N1CCC[C@@H](C1)c1cc(nc(n1)[*:1])NC
O=C(C[C@@H]1C=CCC1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1C[*:1] O=C(C[C@@H]1C=CCC1)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(C[C@@H]1C=CCC1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] O=C(C[C@@H]1C=CCC1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(C[C@@H]1C=CCC1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(C[C@@H]1C=CCC1)N(Cc1ccccc1F)[*:1]
COc1cc(OC)c2c(C)c(CC(=O)Nc3cccc([C@@H](C)O)c3)c(=O)oc2c1 C[C@@H](O)[*:1] COc1cc(OC)c2c(C)c(CC(=O)Nc3cccc(c3)[*:1])c(=O)oc2c1
COc1cc(OC)c2c(C)c(CC(=O)Nc3cccc([C@@H](C)O)c3)c(=O)oc2c1 C[C@@H](O)c1cccc(c1)[*:1] COc1cc(OC)c2c(C)c(CC(=O)N[*:1])c(=O)oc2c1
COCCNC(=O)[C@H]1[NH+]=c2c(NC(=O)Nc3ccccc3)cc(C)cc2=C1c1ccccc1 c1ccc(cc1)[*:1] COCCNC(=O)[C@H]1[NH+]=c2c(cc(C)cc2=C1c1ccccc1)NC(=O)N[*:1]
COCCNC(=O)[C@H]1[NH+]=c2c(NC(=O)Nc3ccccc3)cc(C)cc2=C1c1ccccc1 COC[*:1] Cc1cc(NC(=O)Nc2ccccc2)c2=[NH+][C@H](C(=O)NC[*:1])C(c3ccccc3)=c2c1
COCCNC(=O)[C@H]1[NH+]=c2c(NC(=O)Nc3ccccc3)cc(C)cc2=C1c1ccccc1 COCCNC(=O)[*:1] Cc1cc(NC(=O)Nc2ccccc2)c2=[NH+][C@@H](C(c3ccccc3)=c2c1)[*:1]
COCCNC(=O)[C@H]1[NH+]=c2c(NC(=O)Nc3ccccc3)cc(C)cc2=C1c1ccccc1 c1ccc(cc1)[*:1] COCCNC(=O)[C@H]1[NH+]=c2c(cc(C)cc2=C1[*:1])NC(=O)Nc1ccccc1
COCCNC(=O)[C@H]1[NH+]=c2c(NC(=O)Nc3ccccc3)cc(C)cc2=C1c1ccccc1 O=C(Nc1ccccc1)N[*:1] COCCNC(=O)[C@H]1[NH+]=c2c(cc(C)cc2=C1c1ccccc1)[*:1]
COCCNC(=O)[C@H]1[NH+]=c2c(NC(=O)Nc3ccccc3)cc(C)cc2=C1c1ccccc1 COCC[*:1] Cc1cc(NC(=O)Nc2ccccc2)c2=[NH+][C@H](C(=O)N[*:1])C(c3ccccc3)=c2c1
CC(C)CNC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 CC(C)C[*:1] O=C(Nc1c2CSCc2nn1-c1cccc(Cl)c1)C(=O)N[*:1]
CC(C)CNC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 CC(C)[*:1] O=C(NC[*:1])C(=O)Nc1c2CSCc2nn1-c1cccc(Cl)c1
CC(C)CNC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 Clc1cccc(c1)[*:1] CC(C)CNC(=O)C(=O)Nc1c2CSCc2nn1[*:1]
C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1F)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1F)[*:1]
Cc1nc(C[C@H](NC(=O)c2ccccn2)c2ccc(F)cc2)cc(=O)[nH]1 Fc1ccc(cc1)[*:1] Cc1nc(cc(=O)[nH]1)C[C@H](NC(=O)c1ccccn1)[*:1]
Cc1nc(C[C@H](NC(=O)c2ccccn2)c2ccc(F)cc2)cc(=O)[nH]1 c1ccc(nc1)[*:1] Cc1nc(cc(=O)[nH]1)C[C@H](NC(=O)[*:1])c1ccc(F)cc1
C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2[C@H](O)OC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 C/C=C/C=C[*:1] CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](C=C1[C@H](O)OC(=O)[C@@]12O)OC(=O)C=C[*:1]
C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2[C@H](O)OC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 CC=C[*:1] CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](C=C1[C@H](O)OC(=O)[C@@]12O)OC(=O)/C=C/C=C[*:1]
C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2[C@H](O)OC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 C/C=C/C=C/C=C[*:1] CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](C=C1[C@H](O)OC(=O)[C@@]12O)OC(=O)[*:1]
Cc1occc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1C Cc1occc1[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1cc(Cl)ccc1-n1cncn1
Cc1occc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1C c1ncn(n1)[*:1] Cc1occc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2[*:1])n1C
CCn1c([C@H](C)NC[C@H](c2ccccc2)[NH+](C)C)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(nc2ccccc21)[C@H](C)NC[C@H]([NH+](C)C)[*:1]
CC(C)c1ocnc1Cn1c(NC[C@H](C)O)[nH+]c2ccccc21 C[C@H](O)[*:1] CC(C)c1ocnc1Cn1c(NC[*:1])[nH+]c2ccccc21
CC(C)c1ocnc1Cn1c(NC[C@H](C)O)[nH+]c2ccccc21 C[C@H](O)C[*:1] CC(C)c1ocnc1Cn1c(N[*:1])[nH+]c2ccccc21
CC(C)c1ocnc1Cn1c(NC[C@H](C)O)[nH+]c2ccccc21 CC(C)[*:1] C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ncoc1[*:1]
CC(C)CCC(=O)NN[C@@H](C(N)=O)c1ccccc1 CC(C)[*:1] NC(=O)[C@H](NNC(=O)CC[*:1])c1ccccc1
CC(C)CCC(=O)NN[C@@H](C(N)=O)c1ccccc1 NC(=O)[*:1] CC(C)CCC(=O)NN[C@@H](c1ccccc1)[*:1]
CC(C)CCC(=O)NN[C@@H](C(N)=O)c1ccccc1 CC(C)C[*:1] NC(=O)[C@H](NNC(=O)C[*:1])c1ccccc1
CC(C)CCC(=O)NN[C@@H](C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CCC(=O)NN[C@@H](C(N)=O)[*:1]
CC(C)CCC(=O)NN[C@@H](C(N)=O)c1ccccc1 CC(C)CC[*:1] NC(=O)[C@H](NNC(=O)[*:1])c1ccccc1
COc1ccc(Cl)cc1NC(=O)CCCn1nc(-c2ccco2)ccc1=O c1coc(c1)[*:1] COc1ccc(Cl)cc1NC(=O)CCCn1nc(ccc1=O)[*:1]
COc1ccc(Cl)cc1NC(=O)CCCn1nc(-c2ccco2)ccc1=O COc1ccc(Cl)cc1[*:1] O=C(CCCn1nc(ccc1=O)-c1ccco1)N[*:1]
Cc1csc(CNC(=O)c2coc(COc3cccc(C(F)(F)F)c3)n2)n1 Cc1csc(n1)[*:1] O=C(NC[*:1])c1coc(COc2cccc(c2)C(F)(F)F)n1
Cc1csc(CNC(=O)c2coc(COc3cccc(C(F)(F)F)c3)n2)n1 Cc1csc(C[*:1])n1 O=C(N[*:1])c1coc(COc2cccc(c2)C(F)(F)F)n1
Cc1csc(CNC(=O)c2coc(COc3cccc(C(F)(F)F)c3)n2)n1 FC(F)(F)[*:1] Cc1csc(CNC(=O)c2coc(COc3cccc(c3)[*:1])n2)n1
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4ccc(NC(C)=O)cc4s3)C2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc2nc(NC(=O)[C@H]3CCCN(C3)S(=O)(=O)[*:1])sc2c1
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4ccc(NC(C)=O)cc4s3)C2)cc1 CC(=O)N[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(c1ccoc1)N1CCC(CC1)NC(=O)[*:1]
O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cccc(Br)c1 c1cc(co1)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])c1cccc(Br)c1
C[C@H](CO)CS(=O)(=O)Cc1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H](CO)CS(=O)(=O)Cc1cccc(c1)[*:1]
C[C@H](CO)CS(=O)(=O)Cc1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H](CO)CS(=O)(=O)Cc1cccc(c1)O[*:1]
CCCNC(=O)NC(=O)CNc1cccc(C(=O)N(C)c2ccccc2)c1 CCCNC(=O)NC(=O)[*:1] CN(C(=O)c1cccc(c1)NC[*:1])c1ccccc1
CCCNC(=O)NC(=O)CNc1cccc(C(=O)N(C)c2ccccc2)c1 CCC[*:1] CN(C(=O)c1cccc(c1)NCC(=O)NC(=O)N[*:1])c1ccccc1
CCCNC(=O)NC(=O)CNc1cccc(C(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] CCCNC(=O)NC(=O)CNc1cccc(c1)C(=O)N(C)[*:1]
Cc1nnc(/N=C(\[O-])C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)s1 Fc1ccc(cc1)[*:1] Cc1nnc(/N=C(\[O-])C2C[C@H](C(N)=O)N(N=2)[*:1])s1
Cc1nnc(/N=C(\[O-])C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)s1 Cc1nnc(s1)[*:1] NC(=O)[C@H]1CC(=NN1c1ccc(F)cc1)C([O-])=N[*:1]
Cc1nnc(/N=C(\[O-])C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)s1 NC(=O)[*:1] Cc1nnc(/N=C(\[O-])C2C[C@H](N(N=2)c2ccc(F)cc2)[*:1])s1
CC(C)N(CC1CC1)C(=O)NC1(CC(=O)[O-])CCC1 C1CC1C[*:1] CC(C)N(C(=O)NC1(CCC1)CC(=O)[O-])[*:1]
CC(C)N(CC1CC1)C(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])C[*:1] CC(C)N(CC1CC1)C(=O)NC1(CCC1)[*:1]
CC(C)N(CC1CC1)C(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])[*:1] CC(C)N(CC1CC1)C(=O)NC1(CCC1)C[*:1]
CC(C)N(CC1CC1)C(=O)NC1(CC(=O)[O-])CCC1 C1CC1[*:1] CC(C)N(C[*:1])C(=O)NC1(CCC1)CC(=O)[O-]
CC(C)N(CC1CC1)C(=O)NC1(CC(=O)[O-])CCC1 CC(C)[*:1] O=C([O-])CC1(CCC1)NC(=O)N(CC1CC1)[*:1]
COc1cc(OC)c(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3C=C(c4ccncc4)N=N3)C2)cc1Cl c1cc(ccn1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)[*:1]
COc1cc(OC)c(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3C=C(c4ccncc4)N=N3)C2)cc1Cl COc1cc(OC)c(cc1Cl)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)c1ccncc1
CN(C)S(=O)(=O)c1ccc(OCCn2nnc(-c3ccc(F)cc3)n2)cc1 CN(C)S(=O)(=O)[*:1] Fc1ccc(cc1)-c1nnn(CCOc2ccc(cc2)[*:1])n1
CN(C)S(=O)(=O)c1ccc(OCCn2nnc(-c3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)OCCn1nnc(n1)[*:1]
O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cn1nc2CCCCCn2c1=O)N1CCC[C@H]1[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)Nn1cnc2ccccc21)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)Nn1cnc2ccccc21)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)Nn1cnc2ccccc21)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)Nn1cnc2ccccc21
Cc1nc(CCC[S@](=O)[C@@H](C)c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CCC[S@](=O)[C@@H](C)[*:1]
Cc1nc(CCC[S@](=O)[C@@H](C)c2ccccc2)cs1 Cc1nc(cs1)[*:1] C[C@@H](c1ccccc1)[S@@](=O)CCC[*:1]
Cc1occc1C(=O)Nc1ccc2c(c1)COC2 Cc1occc1[*:1] O=C(Nc1ccc2COCc2c1)[*:1]
CONC(=O)NC[C@@H]1CCO[C@H]1C(C)C CC(C)[*:1] CONC(=O)NC[C@@H]1CCO[C@@H]1[*:1]
CCc1ccc(O[C@@H](C)C(=O)N2CCN(CCC#N)CC2)cc1 N#CCC[*:1] CCc1ccc(cc1)O[C@@H](C)C(=O)N1CCN(CC1)[*:1]
CCc1ccc(O[C@@H](C)C(=O)N2CCN(CCC#N)CC2)cc1 N#CC[*:1] CCc1ccc(cc1)O[C@@H](C)C(=O)N1CCN(CC1)C[*:1]
Cc1[nH+]ccn1CC1(O)CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)[*:1] Cc1[nH+]ccn1CC1(O)CC[NH+](CC1)C[*:1]
Cc1[nH+]ccn1CC1(O)CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] Cc1[nH+]ccn1CC1(O)CC[NH+](CC1)[*:1]
CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 CCC[*:1] O=C(C[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1
CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 CCCC[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)[*:1]
N#Cc1ccsc1N1CC[C@@H](Nc2ccc(N3CCCC3=O)cc2)C1=O N#Cc1ccsc1[*:1] O=C1CCCN1c1ccc(cc1)N[C@@H]1CCN(C1=O)[*:1]
N#Cc1ccsc1N1CC[C@@H](Nc2ccc(N3CCCC3=O)cc2)C1=O O=C1CCCN1[*:1] N#Cc1ccsc1N1CC[C@@H](Nc2ccc(cc2)[*:1])C1=O
CC(C)c1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)[*:1] CN(C(=O)c1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 Cc1noc(C)c1[*:1] C[C@H](C[*:1])NC(=O)N1CCN(CC1)c1cccc(Cl)c1
Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 Cc1noc(C)c1C[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCN(CC1)[*:1]
O=C(NC(=S)Nc1cncc(OCc2ccccc2Cl)n1)c1ccccc1 Clc1ccccc1[*:1] O=C(NC(=S)Nc1cncc(n1)OC[*:1])c1ccccc1
O=C(NC(=S)Nc1cncc(OCc2ccccc2Cl)n1)c1ccccc1 Clc1ccccc1C[*:1] O=C(NC(=S)Nc1cncc(n1)O[*:1])c1ccccc1
O=C(NC(=S)Nc1cncc(OCc2ccccc2Cl)n1)c1ccccc1 Clc1ccccc1CO[*:1] O=C(NC(=S)Nc1cncc(n1)[*:1])c1ccccc1
O=C(NC(=S)Nc1cncc(OCc2ccccc2Cl)n1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC(=S)Nc1cncc(n1)OCc1ccccc1Cl)[*:1]
O=C(c1cc(-c2cccnc2)[nH]n1)N1CCCCC1 c1cncc(c1)[*:1] O=C(c1cc([nH]n1)[*:1])N1CCCCC1
CC(C)N(C(=O)CSc1nnc(-c2cccs2)n1N)C(C)C CC(C)[*:1] CC(C)N(C(=O)CSc1nnc(-c2cccs2)n1N)[*:1]
CC(C)N(C(=O)CSc1nnc(-c2cccs2)n1N)C(C)C c1csc(c1)[*:1] CC(C)N(C(=O)CSc1nnc(n1N)[*:1])C(C)C
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccc(Cl)cc2)CC3)no1 Cc1cc(no1)C(=O)N[*:1] O=C(c1ccc(Cl)cc1)N1CCc2nc(sc2C1)[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccc(Cl)cc2)CC3)no1 Clc1ccc(cc1)[*:1] Cc1cc(no1)C(=O)Nc1nc2CCN(Cc2s1)C(=O)[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccc(Cl)cc2)CC3)no1 Cc1cc(no1)[*:1] O=C(c1ccc(Cl)cc1)N1CCc2nc(NC(=O)[*:1])sc2C1
CCC[C@H](C)[C@@H](Nc1ccc(Cl)c(Br)c1)C(=O)[O-] O=C([O-])[*:1] CCC[C@H](C)[C@@H](Nc1ccc(Cl)c(Br)c1)[*:1]
CCC[C@H](C)[C@@H](Nc1ccc(Cl)c(Br)c1)C(=O)[O-] CCC[C@H](C)[*:1] O=C([O-])[C@H](Nc1ccc(Cl)c(Br)c1)[*:1]
CCC[C@H](C)[C@@H](Nc1ccc(Cl)c(Br)c1)C(=O)[O-] CCC[*:1] C[C@H]([C@@H](Nc1ccc(Cl)c(Br)c1)C(=O)[O-])[*:1]
C[C@](NC(=O)c1csc(-c2cccs2)n1)(C(=O)[O-])C1CC1 c1csc(c1)[*:1] C[C@](NC(=O)c1csc(n1)[*:1])(C(=O)[O-])C1CC1
C[C@](NC(=O)c1csc(-c2cccs2)n1)(C(=O)[O-])C1CC1 C1CC1[*:1] C[C@](NC(=O)c1csc(n1)-c1cccs1)(C(=O)[O-])[*:1]
C[C@](NC(=O)c1csc(-c2cccs2)n1)(C(=O)[O-])C1CC1 O=C([O-])[*:1] C[C@](NC(=O)c1csc(n1)-c1cccs1)(C1CC1)[*:1]
Cc1cccc(CNC(=O)N2CCOC[C@H]2C2CC2)n1 C1CC1[*:1] Cc1cccc(CNC(=O)N2CCOC[C@@H]2[*:1])n1
CC(=O)Nc1cccc([C@@H](C)OC(=O)c2cnc([C@H]3CCCO3)s2)c1 CC(=O)N[*:1] C[C@@H](OC(=O)c1cnc(s1)[C@H]1CCCO1)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@@H](C)OC(=O)c2cnc([C@H]3CCCO3)s2)c1 C1CO[C@H](C1)[*:1] CC(=O)Nc1cccc(c1)[C@@H](C)OC(=O)c1cnc(s1)[*:1]
O=C1CCCc2c1cc(C1CCCC1)c1ccccc21 C1CCC(C1)[*:1] O=C1CCCc2c1cc(c1ccccc21)[*:1]
C[C@@H](C(=O)N[C@H](CC(N)=O)C1CCCCC1)n1nnc(-c2ccccc2)n1 NC(=O)C[*:1] C[C@@H](C(=O)N[C@H](C1CCCCC1)[*:1])n1nnc(n1)-c1ccccc1
C[C@@H](C(=O)N[C@H](CC(N)=O)C1CCCCC1)n1nnc(-c2ccccc2)n1 NC(=O)[*:1] C[C@@H](C(=O)N[C@H](C[*:1])C1CCCCC1)n1nnc(n1)-c1ccccc1
C[C@@H](C(=O)N[C@H](CC(N)=O)C1CCCCC1)n1nnc(-c2ccccc2)n1 C1CCC(CC1)[*:1] C[C@@H](C(=O)N[C@H](CC(N)=O)[*:1])n1nnc(n1)-c1ccccc1
C[C@@H](C(=O)N[C@H](CC(N)=O)C1CCCCC1)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@H](CC(N)=O)C1CCCCC1)n1nnc(n1)[*:1]
COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(C)o1)c1nccn1C Cc1ccc(o1)[*:1] COc1ccccc1[C@H](NC(=O)N[C@H](C)[*:1])c1nccn1C
COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(C)o1)c1nccn1C Cc1ccc(o1)[C@@H](C)[*:1] COc1ccccc1[C@H](NC(=O)N[*:1])c1nccn1C
COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(C)o1)c1nccn1C COc1ccccc1[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N[C@H](c1nccn1C)[*:1]
COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(C)o1)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(C)o1)[*:1]
Cc1noc(C)c1CS[C@@H](C)c1nc(C2CC2)no1 C1CC1[*:1] Cc1noc(C)c1CS[C@@H](C)c1nc(no1)[*:1]
C[C@]12C(=O)N(c3ccc(C(=O)NCc4ccc(F)cc4)cc3)C(=O)N1CCC1=c3ccccc3=[NH+][C@@H]12 Fc1ccc(cc1)[*:1] C[C@]12C(=O)N(C(=O)N1CCC1=c3ccccc3=[NH+][C@@H]12)c1ccc(cc1)C(=O)NC[*:1]
C[C@]12C(=O)N(c3ccc(C(=O)NCc4ccc(F)cc4)cc3)C(=O)N1CCC1=c3ccccc3=[NH+][C@@H]12 Fc1ccc(cc1)C[*:1] C[C@]12C(=O)N(C(=O)N1CCC1=c3ccccc3=[NH+][C@@H]12)c1ccc(cc1)C(=O)N[*:1]
C[C@]12C(=O)N(c3ccc(C(=O)NCc4ccc(F)cc4)cc3)C(=O)N1CCC1=c3ccccc3=[NH+][C@@H]12 O=C(NCc1ccc(F)cc1)[*:1] C[C@]12C(=O)N(C(=O)N1CCC1=c3ccccc3=[NH+][C@@H]12)c1ccc(cc1)[*:1]
COc1ccc(-c2csc(C[C@@H](C)n3cc(Cl)cn3)n2)cc1 Clc1cnn(c1)[*:1] COc1ccc(cc1)-c1csc(C[C@@H](C)[*:1])n1
COc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c1F c1cnn(c1)[*:1] COc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[*:1])c1F
O=c1c([N+](=O)[O-])c(Oc2ccc(OCc3ccccc3)cc2)nc2ccccn12 O=[N+]([O-])[*:1] O=c1c(c(nc2ccccn12)Oc1ccc(cc1)OCc1ccccc1)[*:1]
O=c1c([N+](=O)[O-])c(Oc2ccc(OCc3ccccc3)cc2)nc2ccccn12 c1ccc(cc1)[*:1] O=c1c(c(nc2ccccn12)Oc1ccc(cc1)OC[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(Oc2ccc(OCc3ccccc3)cc2)nc2ccccn12 c1ccc(cc1)CO[*:1] O=c1c(c(nc2ccccn12)Oc1ccc(cc1)[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(Oc2ccc(OCc3ccccc3)cc2)nc2ccccn12 c1ccc(cc1)C[*:1] O=c1c(c(nc2ccccn12)Oc1ccc(cc1)O[*:1])[N+](=O)[O-]
CC(C)O[C@@H](C[NH3+])c1cccc(Cl)c1 CC(C)O[*:1] [NH3+]C[C@@H](c1cccc(Cl)c1)[*:1]
CC(C)O[C@@H](C[NH3+])c1cccc(Cl)c1 CC(C)[*:1] [NH3+]C[C@H](O[*:1])c1cccc(Cl)c1
CCN1C(=O)Cc2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 O=[N+]([O-])[*:1] CCN1C(=O)Cc2cc(ccc21)NC(=O)c1ccc(Cl)c(c1)[*:1]
C=CCCC[C@@H](C)OC(=O)c1noc2c1CCCC2 C=CCC[*:1] C[C@H](C[*:1])OC(=O)c1noc2CCCCc12
C=CCCC[C@@H](C)OC(=O)c1noc2c1CCCC2 C=CCCC[*:1] C[C@@H](OC(=O)c1noc2CCCCc12)[*:1]
C=CCCC[C@@H](C)OC(=O)c1noc2c1CCCC2 C=CC[*:1] C[C@H](CC[*:1])OC(=O)c1noc2CCCCc12
O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@@H]2C(=O)N=C(SCc3cccc(Cl)c3)N=C2N1 Fc1ccc(F)c(c1)[*:1] O=C1C[C@H](C(=O)N[*:1])[C@@H]2C(=O)N=C(N=C2N1)SCc1cccc(Cl)c1
O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@@H]2C(=O)N=C(SCc3cccc(Cl)c3)N=C2N1 Clc1cccc(c1)C[*:1] O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@@H]2C(=O)N=C(N=C2N1)S[*:1]
O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@@H]2C(=O)N=C(SCc3cccc(Cl)c3)N=C2N1 Clc1cccc(c1)[*:1] O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@@H]2C(=O)N=C(N=C2N1)SC[*:1]
O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccc(Cl)s1 O=C([O-])[*:1] O=C(N[C@@H](Cc1ccc(O)cc1)[*:1])c1ccc(Cl)s1
O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[*:1]
O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccc(Cl)s1 Oc1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)[O-])c1ccc(Cl)s1
Cc1ccc(C)c(OCC(=O)N2CCOC[C@H]2C2CC2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)OCC(=O)N1CCOC[C@@H]1[*:1]
NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCCCSc1ccc(F)cc1 NC(=O)[*:1] O=C(NCCCSc1ccc(F)cc1)N[C@H]1CCC[C@@H]1[*:1]
NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCCCSc1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCCCS[*:1]
O=C(Nc1cccc(Cl)c1)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)C[*:1] O=C(Nc1cccc(Cl)c1)N(C[C@@H]1CCCO1)[*:1]
O=C(Nc1cccc(Cl)c1)N(Cc1cccs1)C[C@@H]1CCCO1 Clc1cccc(c1)[*:1] O=C(N[*:1])N(Cc1cccs1)C[C@@H]1CCCO1
O=C(Nc1cccc(Cl)c1)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1cccs1)[*:1]
O=C(Nc1cccc(Cl)c1)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1cccs1)C[*:1]
O=C(Nc1cccc(Cl)c1)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)[*:1] O=C(Nc1cccc(Cl)c1)N(C[C@@H]1CCCO1)C[*:1]
Cn1c(-c2nc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cs2)cc2ccccc21 C(=C/c1ccccc1)\C[*:1] Cn1c(cc2ccccc21)-c1nc(cs1)C(=O)N1CCN(CC1)[*:1]
Cn1c(-c2nc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cs2)cc2ccccc21 c1ccc(cc1)[*:1] Cn1c(cc2ccccc21)-c1nc(cs1)C(=O)N1CCN(CC=C[*:1])CC1
Cn1c(-c2nc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cs2)cc2ccccc21 Cn1c(cc2ccccc21)[*:1] O=C(c1csc(n1)[*:1])N1CCN(C/C=C/c2ccccc2)CC1
Cn1c(-c2nc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cs2)cc2ccccc21 C(=C[*:1])c1ccccc1 Cn1c(cc2ccccc21)-c1nc(cs1)C(=O)N1CCN(CC1)C[*:1]
Cc1nn(-c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)c(C)c1C Clc1ccc(cc1Cl)C[*:1] Cc1nn(c(C)c1C)-c1nc2c(c(=O)n(c(=O)n2C)[*:1])n1C
Cc1nn(-c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)c(C)c1C Clc1ccc(cc1Cl)[*:1] Cc1nn(c(C)c1C)-c1nc2c(c(=O)n(C[*:1])c(=O)n2C)n1C
Cc1nn(-c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)c(C)c1C Cc1nn(c(C)c1C)[*:1] Cn1c(nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C)[*:1]
CC(C)C[C@H](NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1 CC(C)[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])N[C@@H](C[*:1])c1ccccc1
CC(C)C[C@H](NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1 O=[N+]([O-])[*:1] CC(C)C[C@H](NC(=O)Cn1cnc2ccc(cc2c1=O)[*:1])c1ccccc1
CC(C)C[C@H](NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1 CC(C)C[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])N[C@H](c1ccccc1)[*:1]
CC(C)C[C@H](NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@H](NC(=O)Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])[*:1]
O=C1OC(c2ccccc2F)=N/C1=C\c1cc2ccccc2nc1N1CCOCC1 C1CN(CCO1)[*:1] O=C1OC(=N/C1=C\c1cc2ccccc2nc1[*:1])c1ccccc1F
O=C1OC(c2ccccc2F)=N/C1=C\c1cc2ccccc2nc1N1CCOCC1 Fc1ccccc1[*:1] O=C1OC(=N/C1=C\c1cc2ccccc2nc1N1CCOCC1)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N[C@H](C)C[C@@H](O)c1ccco1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)N[C@H](C)C[C@@H](O)c1ccco1)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N[C@H](C)C[C@@H](O)c1ccco1 c1coc(c1)[*:1] Cc1cn(nc1NC(=O)N[C@H](C)C[C@@H](O)[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N[C@H](C)C[C@@H](O)c1ccco1 O[C@@H](c1ccco1)[*:1] Cc1cn(nc1NC(=O)N[C@H](C)C[*:1])-c1ccccc1Cl
CSCCCSc1nnc([C@@H]2COc3ccccc3O2)n1C CSCCC[*:1] Cn1c(nnc1[C@@H]1COc2ccccc2O1)S[*:1]
CSCCCSc1nnc([C@@H]2COc3ccccc3O2)n1C CSCCCS[*:1] Cn1c(nnc1[*:1])[C@@H]1COc2ccccc2O1
CSCCCSc1nnc([C@@H]2COc3ccccc3O2)n1C CSCC[*:1] Cn1c(nnc1[C@@H]1COc2ccccc2O1)SC[*:1]
CSCCCSc1nnc([C@@H]2COc3ccccc3O2)n1C CSC[*:1] Cn1c(nnc1[C@@H]1COc2ccccc2O1)SCC[*:1]
CC(C)Cn1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cn1 CC(C)C[*:1] O=C(Nc1cnn(c1)[*:1])C1C=CC2=NS(=O)(=O)CCN2C=1
CC(C)Cn1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)C[*:1])C1C=CC2=NS(=O)(=O)CCN2C=1
Cc1cccc(C2=NN(C(=O)[C@@H]3CCCO3)[C@H](c3cccc(F)c3)C2)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1)C1C[C@@H](N(N=1)C(=O)[C@@H]1CCCO1)[*:1]
Cc1cccc(C2=NN(C(=O)[C@@H]3CCCO3)[C@H](c3cccc(F)c3)C2)c1 Cc1cccc(c1)[*:1] O=C([C@@H]1CCCO1)N1N=C(C[C@H]1c1cccc(F)c1)[*:1]
CC(C)N(CC(F)(F)F)C(=O)Cn1cnc2ccccc2c1=O FC(F)(F)C[*:1] CC(C)N(C(=O)Cn1cnc2ccccc2c1=O)[*:1]
CC(C)N(CC(F)(F)F)C(=O)Cn1cnc2ccccc2c1=O CC(C)[*:1] O=C(Cn1cnc2ccccc2c1=O)N(CC(F)(F)F)[*:1]
CC(C)N(CC(F)(F)F)C(=O)Cn1cnc2ccccc2c1=O FC(F)(F)[*:1] CC(C)N(C[*:1])C(=O)Cn1cnc2ccccc2c1=O
Cc1ccc(C)c(NCC[NH2+][C@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NCC[NH2+][C@H](C)[*:1]
C[NH2+]C1(C(N)=O)CCCCCC1 NC(=O)[*:1] C[NH2+]C1(CCCCCC1)[*:1]
COc1ccc2c(c1)[C@@]1(CCN(C(=O)c3ccc(Cl)cc3)C1)C(=O)N2 Clc1ccc(cc1)[*:1] COc1ccc2NC(=O)[C@]3(CCN(C3)C(=O)[*:1])c2c1
CC(C)C[C@H](NC(=O)N(C)CCc1ccccn1)c1cccs1 CC(C)C[*:1] CN(CCc1ccccn1)C(=O)N[C@H](c1cccs1)[*:1]
CC(C)C[C@H](NC(=O)N(C)CCc1ccccn1)c1cccs1 CC(C)[*:1] CN(CCc1ccccn1)C(=O)N[C@@H](C[*:1])c1cccs1
CC(C)C[C@H](NC(=O)N(C)CCc1ccccn1)c1cccs1 c1csc(c1)[*:1] CC(C)C[C@H](NC(=O)N(C)CCc1ccccn1)[*:1]
CC(C)C[C@H](NC(=O)N(C)CCc1ccccn1)c1cccs1 c1ccc(C[*:1])nc1 CC(C)C[C@H](NC(=O)N(C)C[*:1])c1cccs1
CC(C)C[C@H](NC(=O)N(C)CCc1ccccn1)c1cccs1 c1ccc(nc1)[*:1] CC(C)C[C@H](NC(=O)N(C)CC[*:1])c1cccs1
Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](C)O)c(Cl)n1 C[C@@H](O)[*:1] Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[*:1])c(Cl)n1
Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](C)O)c(Cl)n1 C[C@@H](O)C[*:1] Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2[*:1])c(Cl)n1
O=C(NCc1ccccc1Cl)c1ccc(Cn2cnc3ccccc32)o1 Clc1ccccc1C[*:1] O=C(N[*:1])c1ccc(Cn2cnc3ccccc32)o1
O=C(NCc1ccccc1Cl)c1ccc(Cn2cnc3ccccc32)o1 Clc1ccccc1[*:1] O=C(NC[*:1])c1ccc(Cn2cnc3ccccc32)o1
C[C@@H]1CCCCN1C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O FC(F)(F)[*:1] C[C@@H]1CCCCN1C(=O)C[C@H]1Sc2ccc(cc2NC1=O)[*:1]
CCCn1c(C)nnc1Sc1ncnc2sc(C)c(C)c12 CCC[*:1] Cc1sc2ncnc(Sc3nnc(C)n3[*:1])c2c1C
O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=c1c2nnn(-c3cccc(Cl)c3)c2ncn1C[*:1]
O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)N1CCCCCC1 Clc1cccc(c1)[*:1] O=C(Cn1cnc2c(nnn2[*:1])c1=O)N1CCCCCC1
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nc[nH]n1 Clc1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])Nc1nc[nH]n1
COc1ccc(CNC(=O)Nc2ccc(CC(N)=O)cc2)cc1OC NC(=O)[*:1] COc1ccc(cc1OC)CNC(=O)Nc1ccc(cc1)C[*:1]
COc1ccc(CNC(=O)Nc2ccc(CC(N)=O)cc2)cc1OC NC(=O)C[*:1] COc1ccc(cc1OC)CNC(=O)Nc1ccc(cc1)[*:1]
O=C(CCCNc1cnnc2ccccc12)NC1CC1 O=C(NC1CC1)[*:1] c1ccc2c(cnnc2c1)NCCC[*:1]
O=C(CCCNc1cnnc2ccccc12)NC1CC1 C1CC1[*:1] O=C(CCCNc1cnnc2ccccc12)N[*:1]
O=C(c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)N1CCN(CC1)[*:1]
O=C(C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1cccs1 O=[N+]([O-])[*:1] O=C(C1=NO[C@H]2C(=O)N(C(=O)[C@@H]12)c1ccccc1[*:1])c1cccs1
O=C(C1=NO[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12)c1cccs1 c1csc(c1)[*:1] O=C1[C@H]2C(=NO[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-])C(=O)[*:1]
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 O=[N+]([O-])[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)c(c1)[*:1]
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 Clc1ccc(cc1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)N[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
COc1cccc(-c2nnn(Cc3ccccc3F)n2)c1 Fc1ccccc1[*:1] COc1cccc(c1)-c1nnn(C[*:1])n1
O=C1C2=C(NC(=S)N[C@@H]2c2ccc(Cl)cc2)c2ccccc21 Clc1ccc(cc1)[*:1] O=C1C2=C(NC(=S)N[C@H]2[*:1])c2ccccc21
CCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C(C(N)=O)=C(C)N2 CCS[*:1] CC1Nc2nc(nn2[C@@H](C=1C(N)=O)c1cccc(Cl)c1)[*:1]
CCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C(C(N)=O)=C(C)N2 Clc1cccc(c1)[*:1] CCSc1nc2NC(C)=C(C(N)=O)[C@@H](n2n1)[*:1]
CCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C(C(N)=O)=C(C)N2 NC(=O)[*:1] CCSc1nc2NC(C)=C([C@@H](c3cccc(Cl)c3)n2n1)[*:1]
C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc2c(c1)OCCO2 C1CC(C1)[*:1] C[C@@H]([NH2+]CCCNC(=O)[*:1])c1ccc2OCCOc2c1
C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc2c(c1)OCCO2 O=C(N[*:1])C1CCC1 C[C@@H]([NH2+]CCC[*:1])c1ccc2OCCOc2c1
O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(COc2ccc(F)cc2)o1 Fc1ccc(cc1)O[*:1] O=C(NC1CC[NH+](CC1)C1CC1)c1ccc(C[*:1])o1
O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(COc2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)C1CC1)c1ccc(CO[*:1])o1
CC(C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl CC(C)NC(=O)[*:1] O=C(NC[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
CC(C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl CC(C)[*:1] O=C(CNC(=O)c1ccc(cc1Cl)[N+](=O)[O-])N[*:1]
CC(C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CC(C)NC(=O)CNC(=O)c1ccc(cc1Cl)[*:1]
C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1nccn2ccnc12 CC(C)(C)OC(=O)N[*:1] C[C@@H](C[*:1])N(C)C(=O)c1nccn2ccnc12
C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1nccn2ccnc12 CC(C)(C)[*:1] C[C@@H](CNC(=O)O[*:1])N(C)C(=O)c1nccn2ccnc12
CCCCCC[C@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 CCCCCC[*:1] C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)[*:1]
CCCCCC[C@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 CCCC[*:1] C[C@@H](CC[*:1])[NH2+][C@@H]1CCOC2(CCOCC2)C1
CCCCCC[C@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 CCCCC[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCOC2(CCOCC2)C1
CCCCCC[C@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 CCC[*:1] C[C@@H](CCC[*:1])[NH2+][C@@H]1CCOC2(CCOCC2)C1
O=C(NCCc1ccc(Cl)cc1)c1ccc(CS[C@@H]2[NH+]=c3cc[nH+]cc3=[NH+]2)cc1 Clc1ccc(cc1)[*:1] O=C(NCC[*:1])c1ccc(cc1)CS[C@@H]1[NH+]=c2cc[nH+]cc2=[NH+]1
O=C(NCCc1ccc(Cl)cc1)c1ccc(CS[C@@H]2[NH+]=c3cc[nH+]cc3=[NH+]2)cc1 Clc1ccc(cc1)CC[*:1] O=C(N[*:1])c1ccc(cc1)CS[C@@H]1[NH+]=c2cc[nH+]cc2=[NH+]1
O=C(NCCc1ccc(Cl)cc1)c1ccc(CS[C@@H]2[NH+]=c3cc[nH+]cc3=[NH+]2)cc1 Clc1ccc(cc1)C[*:1] O=C(NC[*:1])c1ccc(cc1)CS[C@@H]1[NH+]=c2cc[nH+]cc2=[NH+]1
Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@@H](C)CCc2cccn2C)c1 Cn1cccc1C[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N[C@@H](C)C[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@@H](C)CCc2cccn2C)c1 Cn1cccc1CC[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N[C@@H](C)[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@@H](C)CCc2cccn2C)c1 CN(C)C(=O)N[*:1] Cc1ccc(c(c1)C(=O)N[C@@H](C)CCc1cccn1C)[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@@H](C)CCc2cccn2C)c1 Cn1cccc1[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N[C@@H](C)CC[*:1]
Cc1nn(-c2cccc(C(=O)[O-])c2)c(C)c1Cl O=C([O-])[*:1] Cc1nn(-c2cccc(c2)[*:1])c(C)c1Cl
COc1ccc(CN(C)C[C@H](O)c2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)CN(C)C[C@H](O)[*:1]
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCC[C@H]3C)c2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
C[C@H](CNc1ccc(C(N)=O)cc1)C(N)=O NC(=O)[*:1] C[C@H](CNc1ccc(cc1)C(N)=O)[*:1]
C[C@H](CNc1ccc(C(N)=O)cc1)C(N)=O C[C@H](C(N)=O)[*:1] NC(=O)c1ccc(cc1)NC[*:1]
C[C@H](CNc1ccc(C(N)=O)cc1)C(N)=O NC(=O)[*:1] C[C@H](CNc1ccc(cc1)[*:1])C(N)=O
O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(ccc1Cl)[*:1]
CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c2ccccc2O1 CNC(=O)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)NC(=O)CN1C[C@H](Oc2ccccc21)[*:1]
CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c2ccccc2O1 CN(c1ccccc1)S(=O)(=O)[*:1] CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(c2)[*:1])c2ccccc2O1
CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c2ccccc2O1 c1ccc(cc1)[*:1] CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(c2)S(=O)(=O)N(C)[*:1])c2ccccc2O1
Cc1ccc(C)c(-n2c(SCc3ccncc3)nc3ccccc3c2=O)c1 c1cc(ccn1)C[*:1] Cc1ccc(C)c(c1)-n1c(nc2ccccc2c1=O)S[*:1]
Cc1ccc(C)c(-n2c(SCc3ccncc3)nc3ccccc3c2=O)c1 c1cc(ccn1)[*:1] Cc1ccc(C)c(c1)-n1c(nc2ccccc2c1=O)SC[*:1]
Cc1ccc(C)c(-n2c(SCc3ccncc3)nc3ccccc3c2=O)c1 Cc1ccc(C)c(c1)[*:1] O=c1c2ccccc2nc(SCc2ccncc2)n1[*:1]
Cc1ccc(C)c(-n2c(SCc3ccncc3)nc3ccccc3c2=O)c1 c1cc(ccn1)CS[*:1] Cc1ccc(C)c(c1)-n1c(nc2ccccc2c1=O)[*:1]
Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cccc(-n2cccn2)c1 Fc1ccccc1[*:1] Cc1nc(sc1C(=O)Nc1cccc(c1)-n1cccn1)[*:1]
Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] Cc1nc(sc1C(=O)Nc1cccc(c1)[*:1])-c1ccccc1F
CCn1nc(C)c2c(C(F)(F)F)cc(-c3cccs3)nc21 c1csc(c1)[*:1] CCn1nc(C)c2c(cc(nc21)[*:1])C(F)(F)F
CCn1nc(C)c2c(C(F)(F)F)cc(-c3cccs3)nc21 FC(F)(F)[*:1] CCn1nc(C)c2c(cc(nc21)-c1cccs1)[*:1]
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 O=C(N[*:1])C1CCCCC1 O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(cc1)[*:1]
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 c1ccc2c(cccc2c1)[*:1] O=C(C[*:1])NNC(=O)c1ccc(cc1)NC(=O)C1CCCCC1
C#CCN(CC(=O)[O-])C(=O)c1c[nH]c(=O)[nH]1 O=C([O-])C[*:1] C#CCN(C(=O)c1c[nH]c(=O)[nH]1)[*:1]
C#CCN(CC(=O)[O-])C(=O)c1c[nH]c(=O)[nH]1 C#CC[*:1] O=C([O-])CN(C(=O)c1c[nH]c(=O)[nH]1)[*:1]
C#CCN(CC(=O)[O-])C(=O)c1c[nH]c(=O)[nH]1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)c1c[nH]c(=O)[nH]1
CCc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4cccc[nH+]4)CC3)=C2C(=O)OC)cc1 COC(=O)[*:1] CCc1ccc(cc1)[C@@H]1NC(=O)NC(CN2CCN(CC2)c2cccc[nH+]2)=C1[*:1]
CCc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4cccc[nH+]4)CC3)=C2C(=O)OC)cc1 CCc1ccc(cc1)[*:1] COC(=O)C1=C(CN2CCN(CC2)c2cccc[nH+]2)NC(=O)N[C@H]1[*:1]
COc1cccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N1CCC(CC1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F
COc1cccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 COc1cccc(c1)C[*:1] O=C(N1CCC(CC1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F)[*:1]
COc1cccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 FC(F)(F)[*:1] COc1cccc(c1)CC(=O)N1CCC(CC1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
CCOC(=O)c1nn(-c2ccc(C)cc2)c(=N)s1 CCOC(=O)[*:1] Cc1ccc(cc1)-n1nc(sc1=N)[*:1]
Cc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1cccnc1 Cc1ccccc1[*:1] O=C(CSc1nnc(-c2cccnc2)n1[*:1])NNC(=O)c1ccco1
Cc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1cccnc1 c1cncc(c1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])SCC(=O)NNC(=O)c1ccco1
Cc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1cccnc1 c1coc(c1)[*:1] Cc1ccccc1-n1c(nnc1-c1cccnc1)SCC(=O)NNC(=O)[*:1]
Cc1ccc(Br)cc1NC(=O)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] Cc1ccc(Br)cc1NC(=O)c1cccc(c1)[*:1]
Cc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@H](C)[NH2+][C@@H]1CC(=O)N(C1)[*:1]
O=C(Cc1ccsc1)N1CC[C@@H](c2ccc(F)cc2)C1 c1cc(cs1)[*:1] O=C(C[*:1])N1CC[C@H](C1)c1ccc(F)cc1
O=C(Cc1ccsc1)N1CC[C@@H](c2ccc(F)cc2)C1 c1cc(cs1)C[*:1] O=C(N1CC[C@H](C1)c1ccc(F)cc1)[*:1]
CCCCc1[nH]ncc1C(=O)[O-] CCC[*:1] O=C([O-])c1cn[nH]c1C[*:1]
CCCCc1[nH]ncc1C(=O)[O-] O=C([O-])[*:1] CCCCc1[nH]ncc1[*:1]
CCCCc1[nH]ncc1C(=O)[O-] CCCC[*:1] O=C([O-])c1cn[nH]c1[*:1]
CCN(Cc1ccccn1)C(=O)C[C@@H](C)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1ccccn1)C(=O)C[C@@H](C)NC(=O)[*:1]
CCN(Cc1ccccn1)C(=O)C[C@@H](C)NC(=O)c1ccccc1 c1ccc(C[*:1])nc1 CCN(C(=O)C[C@@H](C)NC(=O)c1ccccc1)[*:1]
CCN(Cc1ccccn1)C(=O)C[C@@H](C)NC(=O)c1ccccc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)C[C@@H](C)NC(=O)c1ccccc1
Nc1ccccc1C(=O)OCC(=O)Nc1ccc(Br)cc1 Nc1ccccc1[*:1] O=C(COC(=O)[*:1])Nc1ccc(Br)cc1
Nc1ccccc1C(=O)OCC(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Nc1ccccc1C(=O)OCC(=O)N[*:1]
CCC(CC)(/C([O-])=N/S(=O)(=O)c1cccs1)c1ccccc1 c1csc(c1)[*:1] CCC(CC)(/C([O-])=N/S(=O)(=O)[*:1])c1ccccc1
CCC(CC)(/C([O-])=N/S(=O)(=O)c1cccs1)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)(/C([O-])=N/S(=O)(=O)c1cccs1)[*:1]
COCCn1ncc2ccc(NC(=O)c3nc(Cl)ccc3Cl)cc21 Clc1ccc(Cl)c(n1)[*:1] COCCn1ncc2ccc(cc21)NC(=O)[*:1]
COCCn1ncc2ccc(NC(=O)c3nc(Cl)ccc3Cl)cc21 COCC[*:1] O=C(Nc1ccc2cnn(c2c1)[*:1])c1nc(Cl)ccc1Cl
COCCn1ncc2ccc(NC(=O)c3nc(Cl)ccc3Cl)cc21 COC[*:1] O=C(Nc1ccc2cnn(C[*:1])c2c1)c1nc(Cl)ccc1Cl
CN(C)C(=O)CN(C)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)CCc1nc(no1)-c1ccc(Cl)cc1
CN(C)C(=O)CN(C)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 CN(C)C(=O)C[*:1] CN(C(=O)CCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
CN(C)C(=O)CN(C)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CN(C)C(=O)CN(C)C(=O)CCc1nc(no1)[*:1]
O=C([O-])CC1CCN(C(=O)N2CCCC[C@@H]2CCO)CC1 O=C([O-])[*:1] O=C(N1CCC(CC1)C[*:1])N1CCCC[C@@H]1CCO
O=C([O-])CC1CCN(C(=O)N2CCCC[C@@H]2CCO)CC1 OCC[*:1] O=C([O-])CC1CCN(CC1)C(=O)N1CCCC[C@H]1[*:1]
O=C([O-])CC1CCN(C(=O)N2CCCC[C@@H]2CCO)CC1 O=C([O-])C[*:1] O=C(N1CCC(CC1)[*:1])N1CCCC[C@@H]1CCO
CSCC[C@H](NC(C)=O)C(N)=O CSC[*:1] CC(=O)N[C@@H](C[*:1])C(N)=O
CSCC[C@H](NC(C)=O)C(N)=O CSCC[*:1] CC(=O)N[C@H](C(N)=O)[*:1]
CSCC[C@H](NC(C)=O)C(N)=O NC(=O)[*:1] CSCC[C@H](NC(C)=O)[*:1]
CSCC[C@H](NC(C)=O)C(N)=O CC(=O)N[*:1] CSCC[C@H](C(N)=O)[*:1]
FC(F)(F)C1(C(F)(F)F)N=C(c2ccncc2)OC(N2CCOCC2)=N1 FC(F)(F)[*:1] FC(F)(F)C1(N=C(OC(=N1)N1CCOCC1)c1ccncc1)[*:1]
FC(F)(F)C1(C(F)(F)F)N=C(c2ccncc2)OC(N2CCOCC2)=N1 c1cc(ccn1)[*:1] FC(F)(F)C1(N=C(OC(=N1)[*:1])N1CCOCC1)C(F)(F)F
N/C(=N/OCc1ccon1)c1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)[*:1] N/C(=N/OCc1ccon1)c1ccc(nc1)O[*:1]
N/C(=N/OCc1ccon1)c1ccc(Oc2ccc(F)cc2)nc1 c1cc(C[*:1])no1 N/C(=N/O[*:1])c1ccc(nc1)Oc1ccc(F)cc1
N/C(=N/OCc1ccon1)c1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)O[*:1] N/C(=N/OCc1ccon1)c1ccc(nc1)[*:1]
N/C(=N/OCc1ccon1)c1ccc(Oc2ccc(F)cc2)nc1 c1cc(no1)[*:1] N/C(=N/OC[*:1])c1ccc(nc1)Oc1ccc(F)cc1
Cc1ccc(Oc2cc(-n3ncc(C(=O)[O-])c3C)ncn2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)Oc1cc(ncn1)-n1ncc(c1C)[*:1]
Cc1ccc(Oc2cc(-n3ncc(C(=O)[O-])c3C)ncn2)cc1 Cc1ccc(cc1)[*:1] Cc1c(cnn1-c1cc(ncn1)O[*:1])C(=O)[O-]
CCSc1ccc(Cc2nnc(NC(=O)c3ccnn3C)o2)cc1 Cn1nccc1[*:1] CCSc1ccc(cc1)Cc1nnc(NC(=O)[*:1])o1
CCSc1ccc(Cc2nnc(NC(=O)c3ccnn3C)o2)cc1 CCS[*:1] Cn1nccc1C(=O)Nc1nnc(Cc2ccc(cc2)[*:1])o1
Nc1nnnn1NCc1c(OCc2ccccc2F)ccc2ccccc12 Fc1ccccc1C[*:1] Nc1nnnn1NCc1c(ccc2ccccc12)O[*:1]
Nc1nnnn1NCc1c(OCc2ccccc2F)ccc2ccccc12 Fc1ccccc1CO[*:1] Nc1nnnn1NCc1c(ccc2ccccc12)[*:1]
Nc1nnnn1NCc1c(OCc2ccccc2F)ccc2ccccc12 Fc1ccccc1[*:1] Nc1nnnn1NCc1c(ccc2ccccc12)OC[*:1]
C[C@H]1CN(c2ncnc3cc(F)c(F)cc23)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])c1ncnc2cc(F)c(F)cc12
CCC(CC)Oc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 CCC(CC)[*:1] C[C@@]1(NC(=O)NC1=O)c1ccc(cc1)O[*:1]
CCC(CC)Oc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 CCC(CC)O[*:1] C[C@@]1(NC(=O)NC1=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)NS(=O)(=O)c1ccccc1
CC[C@H](Sc1nnc2c3ccccc3n(CO)c2n1)C(=O)Nc1ccccc1OC COc1ccccc1[*:1] CC[C@H](Sc1nnc2c3ccccc3n(CO)c2n1)C(=O)N[*:1]
O=C(CCc1ccco1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F c1coc(c1)C[*:1] O=C(C[*:1])N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F
O=C(CCc1ccco1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F c1coc(c1)CC[*:1] O=C(N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)[*:1]
O=C(CCc1ccco1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F c1coc(c1)[*:1] O=C(CC[*:1])N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F
Cc1nnc(N/C(=N/O)c2cccc([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] Cc1nnc(N/C(=N/O)c2cccc(c2)[*:1])s1
Cc1nnc(N/C(=N/O)c2cccc([N+](=O)[O-])c2)s1 Cc1nnc(s1)[*:1] O=[N+]([O-])c1cccc(c1)/C(=N\O)N[*:1]
CC(C)c1ccc(CNC(=O)[C@H]2CCCCC[C@@H]2[NH3+])cc1 CC(C)[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)NCc1ccc(cc1)[*:1]
O=C(NCc1ccco1)Nc1nc2c(s1)COCC2 c1coc(c1)C[*:1] O=C(Nc1nc2CCOCc2s1)N[*:1]
O=C(NCc1ccco1)Nc1nc2c(s1)COCC2 c1coc(c1)[*:1] O=C(NC[*:1])Nc1nc2CCOCc2s1
CC(C)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccs1 CC(C)[*:1] O=C(N[C@@H](c1cccs1)[*:1])[C@@H]1CCCN(C1)C(=O)Nc1ccccc1
CC(C)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)Nc1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccs1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1])c1cccs1
Cc1c(CNC(=O)Nc2cnn(C(C)(C)C)c2)oc2ccc(F)cc12 CC(C)(C)[*:1] Cc1c(CNC(=O)Nc2cnn(c2)[*:1])oc2ccc(F)cc12
CCC[NH+]1CCC(N(C)Cc2cc(C)n(C3CC3)c2C)CC1 C1CC1[*:1] CCC[NH+]1CCC(CC1)N(C)Cc1cc(C)n(c1C)[*:1]
CCC[NH+]1CCC(N(C)Cc2cc(C)n(C3CC3)c2C)CC1 CCC[*:1] Cc1cc(CN(C)C2CC[NH+](CC2)[*:1])c(C)n1C1CC1
CCCNC(=O)NCc1cccc(S(=O)(=O)NC)c1 CNS(=O)(=O)[*:1] CCCNC(=O)NCc1cccc(c1)[*:1]
CCCNC(=O)NCc1cccc(S(=O)(=O)NC)c1 CCC[*:1] CNS(=O)(=O)c1cccc(c1)CNC(=O)N[*:1]
CCC(=O)N1CC[C@@H](C(=O)O[C@@H](c2ccc(F)c(F)c2)C(C)C)C1 CC(C)[*:1] CCC(=O)N1CC[C@H](C1)C(=O)O[C@@H](c1ccc(F)c(F)c1)[*:1]
CCC(=O)N1CC[C@@H](C(=O)O[C@@H](c2ccc(F)c(F)c2)C(C)C)C1 Fc1ccc(cc1F)[*:1] CCC(=O)N1CC[C@H](C1)C(=O)O[C@@H](C(C)C)[*:1]
CC(C)n1nccc1NC(=O)c1cccc(-n2cccc2)c1 CC(C)[*:1] O=C(Nc1ccnn1[*:1])c1cccc(c1)-n1cccc1
CC(C)n1nccc1NC(=O)c1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] CC(C)n1nccc1NC(=O)c1cccc(c1)[*:1]
C[NH+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)Cc1cccnc1 c1cncc(c1)C[*:1] C[NH+](CC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl)[*:1]
C[NH+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)Cc1cccnc1 c1cncc(c1)[*:1] C[NH+](CC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl)C[*:1]
C[NH+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)Cc1cccnc1 Clc1ccccc1[*:1] C[NH+](CC(=O)N1CCN(CC1)S(=O)(=O)[*:1])Cc1cccnc1
C[C@H](C(=O)N1CCCC[C@@H]1C1OCCO1)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)N1CCCC[C@@H]1C1OCCO1)[*:1]
C[C@H](C(=O)N1CCCC[C@@H]1C1OCCO1)c1cccs1 C1COC(O1)[*:1] C[C@H](C(=O)N1CCCC[C@H]1[*:1])c1cccs1
O=S(=O)(c1cccc(Cl)c1F)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 Fc1c(Cl)cccc1[*:1] O=S(=O)(N1CCO[C@H](C1)c1ccc(F)c(F)c1)[*:1]
O=S(=O)(c1cccc(Cl)c1F)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=S(=O)(c1cccc(Cl)c1F)N1CCO[C@@H](C1)[*:1]
CCc1ccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] C1CC1[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)Oc1cccc(c1)C(=O)N[*:1]
CCc1ccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])C(=O)Oc1cccc(c1)C(=O)NC1CC1
CCc1ccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] O=C(NC1CC1)[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)Oc1cccc(c1)[*:1]
CCOc1ccc(NC(=O)O[C@H](C)CC)cc1 CCO[*:1] CC[C@@H](C)OC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)O[C@H](C)CC)cc1 CC[C@@H](C)[*:1] CCOc1ccc(cc1)NC(=O)O[*:1]
COc1ccc(-c2cnc(CCC(=O)NC3[C@H](C)CCC[C@H]3C)o2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)CCc1ncc(o1)[*:1]
O=C(NCc1ccnc(OCC(F)F)c1)N[C@H]1CC=CCC1 FC(F)[*:1] O=C(NCc1ccnc(c1)OC[*:1])N[C@H]1CC=CCC1
O=C(NCc1ccnc(OCC(F)F)c1)N[C@H]1CC=CCC1 FC(F)CO[*:1] O=C(NCc1ccnc(c1)[*:1])N[C@H]1CC=CCC1
O=C(NCc1ccnc(OCC(F)F)c1)N[C@H]1CC=CCC1 FC(F)C[*:1] O=C(NCc1ccnc(c1)O[*:1])N[C@H]1CC=CCC1
CCc1nn(C)c(N2CCC[C@@H](c3nnc4n3CCC4)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(c1[*:1])N1CCC[C@H](C1)c1nnc2CCCn21
CCc1nn(C)c(N2CCC[C@@H](c3nnc4n3CCC4)C2)c1[N+](=O)[O-] C1Cc2nnc(n2C1)[*:1] CCc1nn(C)c(c1[N+](=O)[O-])N1CCC[C@@H](C1)[*:1]
CCN(C[C@@H](C)C#N)C(=O)CSc1nncn1-c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCN(C[C@@H](C)C#N)C(=O)CSc1nncn1[*:1]
O=C(CSCc1nc(-c2ccc(Cl)cc2)no1)N1CCCc2ccccc21 Clc1ccc(cc1)[*:1] O=C(CSCc1nc(no1)[*:1])N1CCCc2ccccc21
COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)C)cc2)c1 CC(C)[*:1] COc1cccc(c1)C(=O)C1=C(O)C(=O)N[C@H]1c1ccc(cc1)[*:1]
COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)C)cc2)c1 COc1cccc(c1)[*:1] CC(C)c1ccc(cc1)[C@@H]1NC(=O)C(O)=C1C(=O)[*:1]
COc1ccc(Cl)c2sc(N(Cc3ccncc3)C(=O)[C@H]3CCCN3S(C)(=O)=O)nc12 c1cc(ccn1)C[*:1] COc1ccc(Cl)c2sc(nc12)N(C(=O)[C@H]1CCCN1S(C)(=O)=O)[*:1]
COc1ccc(Cl)c2sc(N(Cc3ccncc3)C(=O)[C@H]3CCCN3S(C)(=O)=O)nc12 c1cc(ccn1)[*:1] COc1ccc(Cl)c2sc(nc12)N(C[*:1])C(=O)[C@H]1CCCN1S(C)(=O)=O
CCOc1cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)nc(C)n1 CCO[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)Nc1cccc(F)c1
CCOc1cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)nc(C)n1 Fc1cccc(c1)[*:1] CCOc1cc(nc(C)n1)N1CCN(CC1)C(=O)N[*:1]
COc1c(C)c[nH+]c(CC2(c3ccccc3)C[NH2+]C2)c1C c1ccc(cc1)[*:1] COc1c(C)c[nH+]c(CC2(C[NH2+]C2)[*:1])c1C
C[NH2+][C@H](c1ccccc1Cl)[C@@H]1CCOC2(CCOCC2)C1 Clc1ccccc1[*:1] C[NH2+][C@H]([C@@H]1CCOC2(CCOCC2)C1)[*:1]
Cc1noc(C)c1CCCNC(=O)Nc1cc(-n2cnnn2)ccc1F Cc1noc(C)c1C[*:1] O=C(NCC[*:1])Nc1cc(ccc1F)-n1cnnn1
Cc1noc(C)c1CCCNC(=O)Nc1cc(-n2cnnn2)ccc1F c1nnnn1[*:1] Cc1noc(C)c1CCCNC(=O)Nc1cc(ccc1F)[*:1]
Cc1noc(C)c1CCCNC(=O)Nc1cc(-n2cnnn2)ccc1F Cc1noc(C)c1[*:1] O=C(NCCC[*:1])Nc1cc(ccc1F)-n1cnnn1
NS(=O)(=O)c1ccc(CCNCc2ccccc2-n2cccn2)cc1 c1cnn(c1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNCc1ccccc1[*:1]
NS(=O)(=O)c1ccc(CCNCc2ccccc2-n2cccn2)cc1 NS(=O)(=O)[*:1] c1ccc(c(c1)CNCCc1ccc(cc1)[*:1])-n1cccn1
O=Cc1ccc(OCc2ccc(S(=O)(=O)C(F)F)cc2)cc1 FC(F)[*:1] O=Cc1ccc(cc1)OCc1ccc(cc1)S(=O)(=O)[*:1]
O=Cc1ccc(OCc2ccc(S(=O)(=O)C(F)F)cc2)cc1 O=S(=O)(C(F)F)[*:1] O=Cc1ccc(cc1)OCc1ccc(cc1)[*:1]
CC[C@](C)([NH2+]C[C@H]1Cc2ccccc2S1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)([NH2+]C[C@H]1Cc2ccccc2S1)[*:1]
Cc1cc(C)n(-c2ccc(SCc3cc(F)cc4c3OCOC4)nn2)n1 Cc1cc(C)n(n1)[*:1] Fc1cc2COCOc2c(c1)CSc1ccc(nn1)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1Cc2ccccc21)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NC[C@H]1Cc2ccccc21
Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1Cc2ccccc21)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1Cc2ccccc21)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1Cc2ccccc21)C(C)C c1ccc2c(c1)C[C@@H]2[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)NC[*:1])C(C)C
N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1 N#Cc1ccccc1[*:1] O=c1[nH]c(CN2CCN(CC2)S(=O)(=O)[*:1])nc2sc(cc12)-c1ccccc1
N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1 c1ccc(cc1)[*:1] N#Cc1ccccc1S(=O)(=O)N1CCN(CC1)Cc1nc2sc(cc2c(=O)[nH]1)[*:1]
CN(C)C(=O)Cc1nc(C[NH+](C)CC(=O)[O-])cs1 O=C([O-])[*:1] CN(C)C(=O)Cc1nc(cs1)C[NH+](C)C[*:1]
CN(C)C(=O)Cc1nc(C[NH+](C)CC(=O)[O-])cs1 CN(C)C(=O)[*:1] C[NH+](CC(=O)[O-])Cc1csc(C[*:1])n1
CN(C)C(=O)Cc1nc(C[NH+](C)CC(=O)[O-])cs1 CN(C)C(=O)C[*:1] C[NH+](CC(=O)[O-])Cc1csc(n1)[*:1]
CC(C)NC(=O)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 CC(C)NC(=O)[*:1] O=c1cc([nH]cc1OCc1ccccc1Cl)[*:1]
CC(C)NC(=O)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 Clc1ccccc1[*:1] CC(C)NC(=O)c1cc(=O)c(c[nH]1)OC[*:1]
CC(C)NC(=O)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 CC(C)[*:1] O=C(N[*:1])c1cc(=O)c(c[nH]1)OCc1ccccc1Cl
CC(C)(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCC[C@H](O)C1 O[C@H]1CCC[C@H](C1)[*:1] CC(C)(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[*:1]
CC(C)(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCC[C@H](O)C1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCC[C@H](O)C1)NC[C@H]1CCO[C@H]1[*:1]
CC1=C(c2ccccc2)C(=O)O[C@@H]2C[C@@H](Cl)CC[C@@H]12 c1ccc(cc1)[*:1] CC1=C(C(=O)O[C@@H]2C[C@@H](Cl)CC[C@@H]12)[*:1]
Cn1cc(CCC(=O)Nc2cc(Br)cc(Cl)c2O)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])Nc1cc(Br)cc(Cl)c1O
CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(CC)c2)cc1 CCc1cccc(c1)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)C(=O)N[*:1]
CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(CC)c2)cc1 CCc1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)C(=O)N[C@@H](C)[*:1]
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)CC1=CCCCC1)N[*:1]
O=C(CNC(=O)N1CCC[C@H]1c1ccccc1Cl)NCc1ccco1 c1coc(c1)C[*:1] O=C(CNC(=O)N1CCC[C@H]1c1ccccc1Cl)N[*:1]
O=C(CNC(=O)N1CCC[C@H]1c1ccccc1Cl)NCc1ccco1 c1coc(c1)[*:1] O=C(CNC(=O)N1CCC[C@H]1c1ccccc1Cl)NC[*:1]
O=C(CNC(=O)N1CCC[C@H]1c1ccccc1Cl)NCc1ccco1 Clc1ccccc1[*:1] O=C(CNC(=O)N1CCC[C@@H]1[*:1])NCc1ccco1
O=C(NC1CCCC1)[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 Fc1ccc(cc1)[*:1] O=C(NC1CCCC1)[C@H]1CCCN(C1)C(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
O=C(NC1CCCC1)[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 C1CCC(C1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(F)cc1
O=C(NC1CCCC1)[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 O=S(=O)(N[*:1])c1ccc(F)cc1 O=C(NC1CCCC1)[C@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
O=C(NC1CCCC1)[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1 O=C(NC1CCCC1)[*:1] O=C(c1ccc(cc1)NS(=O)(=O)c1ccc(F)cc1)N1CCC[C@@H](C1)[*:1]
CC(C)CSc1ccc(N)c(N)n1 CC(C)[*:1] Nc1ccc(nc1N)SC[*:1]
CC(C)CSc1ccc(N)c(N)n1 CC(C)C[*:1] Nc1ccc(nc1N)S[*:1]
CC(=O)/C=C(/C)NCC(=O)[O-] O=C([O-])[*:1] CC(=O)/C=C(/C)NC[*:1]
CC(=O)/C=C(/C)NCC(=O)[O-] CC(=O)[*:1] CC(=C[*:1])NCC(=O)[O-]
CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1F CC(C)[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1CCCO[*:1]
CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1F CC(C)O[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1CCC[*:1]
CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1F Oc1ccccc1[*:1] CC(C)OCCCN1C(=O)c2[nH]nc(c2[C@H]1c1ccccc1F)[*:1]
CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1F CC(C)OC[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1CC[*:1]
CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1F Fc1ccccc1[*:1] CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1[*:1]
CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1F CC(C)OCCC[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1[*:1]
CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1F CC(C)OCC[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1C[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[S@](=O)C(C)(C)C1 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)N1CC[S@](=O)C(C)(C)C1
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1C=C[C@H](CO)C1 c1csc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])N[C@@H]1C=C[C@H](CO)C1
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(-n2cccn2)cc1C CNC(=O)[*:1] Cc1cc(ccc1CN1C[C@@H]([NH3+])C[C@H]1[*:1])-n1cccn1
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(-n2cccn2)cc1C c1cnn(c1)[*:1] CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(cc1C)[*:1]
Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(F)ccc2Cl)cc1[N+](=O)[O-] Fc1ccc(Cl)c(c1)[*:1] Cc1c(cc(cc1[N+](=O)[O-])C(=O)N[*:1])[N+](=O)[O-]
Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(F)ccc2Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[*:1])C(=O)Nc1cc(F)ccc1Cl)[N+](=O)[O-]
Cn1ccnc1COC(=O)Cc1cn(C)c2ccccc12 Cn1ccnc1C[*:1] Cn1cc(CC(=O)O[*:1])c2ccccc21
Cn1ccnc1COC(=O)Cc1cn(C)c2ccccc12 Cn1ccnc1[*:1] Cn1cc(CC(=O)OC[*:1])c2ccccc21
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccc(cc12)[*:1]
CC(C)c1nc(NC(=O)c2cc(C#N)cn2C)n(C)n1 CC(C)[*:1] Cn1cc(C#N)cc1C(=O)Nc1nc(nn1C)[*:1]
Cc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)NN=C[*:1])c1ccccc1
Cc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)[*:1])cc1
COc1ccc([C@H](C)NC(=O)c2ccccc2Cl)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c([O-])[nH]c(=S)nc2c1 C[C@H]1CCCC[C@@H]1[*:1] O=C(N[*:1])c1ccc2c([O-])[nH]c(=S)nc2c1
Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1C Fc1ccc(cc1Cl)[*:1] Cc1nc(-c2cccc(Cl)c2)n(CC(=O)N[*:1])c(=O)c1C
Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1C Clc1cccc(c1)[*:1] Cc1nc(n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1C)[*:1]
O=C(NCc1ccco1)N[C@@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(NCc1ccco1)N[C@@H]1CCCCC[C@@H]1[*:1]
O=C(NCc1ccco1)N[C@@H]1CCCCC[C@H]1C(=O)[O-] c1coc(c1)C[*:1] O=C(N[C@@H]1CCCCC[C@H]1C(=O)[O-])N[*:1]
O=C(NCc1ccco1)N[C@@H]1CCCCC[C@H]1C(=O)[O-] c1coc(c1)[*:1] O=C(NC[*:1])N[C@@H]1CCCCC[C@H]1C(=O)[O-]
Cc1ccc(C(=O)N(CC(=O)Nc2nccs2)CC(C)C)cc1[N+](=O)[O-] O=C(Nc1nccs1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N(CC(C)C)C[*:1]
Cc1ccc(C(=O)N(CC(=O)Nc2nccs2)CC(C)C)cc1[N+](=O)[O-] c1csc(n1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N(CC(=O)N[*:1])CC(C)C
Cc1ccc(C(=O)N(CC(=O)Nc2nccs2)CC(C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)N(CC(=O)Nc1nccs1)CC(C)C
Cc1ccc(C(=O)N(CC(=O)Nc2nccs2)CC(C)C)cc1[N+](=O)[O-] CC(C)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N(CC(=O)Nc1nccs1)C[*:1]
Cc1ccc(C(=O)N(CC(=O)Nc2nccs2)CC(C)C)cc1[N+](=O)[O-] CC(C)C[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N(CC(=O)Nc1nccs1)[*:1]
Cc1noc(Cc2ccc(NC(=O)C3CC3)cc2)n1 O=C(N[*:1])C1CC1 Cc1noc(Cc2ccc(cc2)[*:1])n1
Cc1noc(Cc2ccc(NC(=O)C3CC3)cc2)n1 C1CC1[*:1] Cc1noc(Cc2ccc(cc2)NC(=O)[*:1])n1
Cc1noc(Cc2ccc(NC(=O)C3CC3)cc2)n1 Cc1noc(n1)[*:1] O=C(Nc1ccc(cc1)C[*:1])C1CC1
CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccnn1C(C)C)n2CC(=O)OC CC(C)n1nccc1[*:1] CCOc1ccc2c(c1)s/c(=N/C(=O)[*:1])n2CC(=O)OC
CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccnn1C(C)C)n2CC(=O)OC COC(=O)C[*:1] CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccnn1C(C)C)n2[*:1]
CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccnn1C(C)C)n2CC(=O)OC COC(=O)[*:1] CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccnn1C(C)C)n2C[*:1]
CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccnn1C(C)C)n2CC(=O)OC CC(C)[*:1] CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccnn1[*:1])n2CC(=O)OC
CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccnn1C(C)C)n2CC(=O)OC CCO[*:1] COC(=O)Cn1/c(=N\C(=O)c2ccnn2C(C)C)sc2cc(ccc21)[*:1]
CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1CCCC[C@@H]2[C@H]1[C@H](CCN2C(=O)[*:1])c1ccccc1
CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](CCN2C(=O)c1ccccc1)[*:1]
CCOCCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O CCO[*:1] Cn1c(=O)n(CC[*:1])c(=O)c2c1nc1N(CCn12)c1ccccc1
CCOCCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O CCOC[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc1N(CCn12)c1ccccc1
CCOCCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O CCOCC[*:1] Cn1c(=O)n(c(=O)c2c1nc1N(CCn12)c1ccccc1)[*:1]
CCOCCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] CCOCCn1c(=O)c2c(nc3N(CCn32)[*:1])n(C)c1=O
c1cn2c(C[NH2+][C@@H]3CCCC[C@H]3OC3CCCC3)cnc2cn1 C1CCC(C1)O[*:1] c1cn2c(cnc2cn1)C[NH2+][C@@H]1CCCC[C@@H]1[*:1]
c1cn2c(C[NH2+][C@@H]3CCCC[C@H]3OC3CCCC3)cnc2cn1 C1CCC(C1)[*:1] c1cn2c(cnc2cn1)C[NH2+][C@@H]1CCCC[C@H]1O[*:1]
CCCCC(=O)N1C[C@@H](C)C[C@H](C)C1 CCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)C[*:1]
CCCCC(=O)N1C[C@@H](C)C[C@H](C)C1 CCCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)[*:1]
O=C1OCCN1c1ccc(C(=O)N(CC2CCC2)c2ccccc2)cc1 C1CC(C1)C[*:1] O=C1OCCN1c1ccc(cc1)C(=O)N(c1ccccc1)[*:1]
O=C1OCCN1c1ccc(C(=O)N(CC2CCC2)c2ccccc2)cc1 O=C1OCCN1[*:1] O=C(c1ccc(cc1)[*:1])N(CC1CCC1)c1ccccc1
O=C1OCCN1c1ccc(C(=O)N(CC2CCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C1OCCN1c1ccc(cc1)C(=O)N(CC1CCC1)[*:1]
O=C1OCCN1c1ccc(C(=O)N(CC2CCC2)c2ccccc2)cc1 C1CC(C1)[*:1] O=C1OCCN1c1ccc(cc1)C(=O)N(C[*:1])c1ccccc1
Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])[C@@H](C)[NH2+]C[C@@H]1CCCN(C1)c1ncccn1
Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)cccc1[N+](=O)[O-] c1cnc(nc1)[*:1] Cc1c(cccc1[N+](=O)[O-])[C@@H](C)[NH2+]C[C@@H]1CCCN(C1)[*:1]
C[S@](=O)c1ccc(CNC(=O)N2CCCC2(C)C)cc1 C[S@](=O)[*:1] CC1(C)CCCN1C(=O)NCc1ccc(cc1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)C1 CC(=O)N[*:1] CC1(C)CC[C@@H](CNC(=O)N2CCC[C@H](C2)C[*:1])c2ccccc21
CC(=O)NC[C@@H]1CCCN(C(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)C1 CC(=O)NC[*:1] CC1(C)CC[C@@H](CNC(=O)N2CCC[C@H](C2)[*:1])c2ccccc21
CCOc1ccccc1C(=O)N[C@@H](C)c1ccccc1Br CCO[*:1] C[C@H](NC(=O)c1ccccc1[*:1])c1ccccc1Br
CCOc1ccccc1C(=O)N[C@@H](C)c1ccccc1Br Brc1ccccc1[*:1] CCOc1ccccc1C(=O)N[C@@H](C)[*:1]
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2cccc(C(N)=O)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1cccc(c1)C(N)=O
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2cccc(C(N)=O)c2)c(C)c1 NC(=O)[*:1] Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2cccc(c2)[*:1])c(C)c1
CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)n1 CCN[*:1] COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1cc(C)nc(n1)[*:1]
COc1cccc2c1OC[C@H](NC(=O)Nc1c(C)cccc1C(C)C)C2 CC(C)[*:1] COc1cccc2C[C@H](COc21)NC(=O)Nc1c(C)cccc1[*:1]
COC(=O)c1cccc(N2CCOC3(CCCC3)C2)n1 COC(=O)[*:1] c1cc(nc(c1)[*:1])N1CCOC2(CCCC2)C1
CC(C)c1cc(C(=O)N2CC[C@H]2c2nc(-c3cccnc3)no2)on1 CC(C)[*:1] O=C(c1cc(no1)[*:1])N1CC[C@H]1c1nc(no1)-c1cccnc1
CC(C)c1cc(C(=O)N2CC[C@H]2c2nc(-c3cccnc3)no2)on1 CC(C)c1cc(on1)[*:1] O=C(N1CC[C@H]1c1nc(no1)-c1cccnc1)[*:1]
CC(C)c1cc(C(=O)N2CC[C@H]2c2nc(-c3cccnc3)no2)on1 c1cncc(c1)[*:1] CC(C)c1cc(on1)C(=O)N1CC[C@H]1c1nc(no1)[*:1]
C[C@@H]1COC2(CCN(C(=O)c3ccnc(OC(C)(C)C)c3)CC2)O1 CC(C)(C)O[*:1] C[C@@H]1COC2(CCN(CC2)C(=O)c2ccnc(c2)[*:1])O1
C[C@@H]1COC2(CCN(C(=O)c3ccnc(OC(C)(C)C)c3)CC2)O1 CC(C)(C)[*:1] C[C@@H]1COC2(CCN(CC2)C(=O)c2ccnc(c2)O[*:1])O1
CCC(=O)N1CCN(c2ccccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 CCC(=O)N1CCN(CC1)[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1[*:1]
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 N#CC[*:1] C[C@H](Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1)[*:1]
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)Nc1ccccc1
Cc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(/C=C2\SC(=O)N(CC(=O)N[*:1])C2=O)cc1
C[C@@H]1CN(CCCNC(=O)C(=O)Nc2cccc(Cl)c2)C[C@@H](C)O1 Clc1cccc(c1)[*:1] C[C@@H]1CN(CCCNC(=O)C(=O)N[*:1])C[C@@H](C)O1
c1cncc(-c2nc(NCCCOC3CCOCC3)c3ccccc3n2)c1 C1CC(CCO1)OC[*:1] c1cncc(c1)-c1nc(NCC[*:1])c2ccccc2n1
c1cncc(-c2nc(NCCCOC3CCOCC3)c3ccccc3n2)c1 C1CC(CCO1)O[*:1] c1cncc(c1)-c1nc(NCCC[*:1])c2ccccc2n1
c1cncc(-c2nc(NCCCOC3CCOCC3)c3ccccc3n2)c1 C1CC(CCO1)[*:1] c1cncc(c1)-c1nc(NCCCO[*:1])c2ccccc2n1
c1cncc(-c2nc(NCCCOC3CCOCC3)c3ccccc3n2)c1 C1CC(CCO1)OCC[*:1] c1cncc(c1)-c1nc(NC[*:1])c2ccccc2n1
c1cncc(-c2nc(NCCCOC3CCOCC3)c3ccccc3n2)c1 c1cncc(c1)[*:1] c1ccc2c(nc(nc2c1)[*:1])NCCCOC1CCOCC1
CCOc1ccc(-c2nnc(NC(=O)c3cccs3)o2)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)-c1nnc(NC(=O)[*:1])o1
CCOc1ccc(-c2nnc(NC(=O)c3cccs3)o2)cc1 CCO[*:1] O=C(Nc1nnc(o1)-c1ccc(cc1)[*:1])c1cccs1
NC(=O)c1ccc(NC(=O)C[C@@H]2OCCN(N)C2=O)cc1 NC(=O)[*:1] NN1CCO[C@@H](CC(=O)Nc2ccc(cc2)[*:1])C1=O
Cc1ccc2c(c1)C1(OCCO1)C(=O)N2S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccc2c(c1)C1(OCCO1)C(=O)N2S(=O)(=O)[*:1]
O=c1cc(N2CC[NH2+]CC2)cnn1Cc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=c1cc(cnn1Cc1csc(n1)[*:1])N1CC[NH2+]CC1
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc32)cc1 COc1ccc(cc1)C(=O)C[*:1] O=C1N(Cc2cccc(c2)C(F)(F)F)c2ccccc2[C@]1(O)[*:1]
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc32)cc1 COc1ccc(cc1)C(=O)[*:1] O=C1N(Cc2cccc(c2)C(F)(F)F)c2ccccc2[C@@]1(O)C[*:1]
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C1N(Cc2cccc(c2)C(F)(F)F)c2ccccc2[C@@]1(O)CC(=O)[*:1]
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc32)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(Cc2cccc(c2)[*:1])c2ccccc21
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc32)cc1 FC(F)(F)c1cccc(c1)[*:1] COc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(C[*:1])c2ccccc21
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc32)cc1 FC(F)(F)c1cccc(c1)C[*:1] COc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(c2ccccc21)[*:1]
N#Cc1ccc(N2CCO[C@H](c3ccccc3Br)C2)cc1C(F)(F)F FC(F)(F)[*:1] N#Cc1ccc(cc1[*:1])N1CCO[C@@H](C1)c1ccccc1Br
N#Cc1ccc(N2CCO[C@H](c3ccccc3Br)C2)cc1C(F)(F)F Brc1ccccc1[*:1] N#Cc1ccc(cc1C(F)(F)F)N1CCO[C@H](C1)[*:1]
Cc1cc(C(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)n(C)n1 Cc1cc(n(C)n1)[*:1] Cn1cc(cn1)C[NH+]1CCCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)n(C)n1 Cn1cc(cn1)C[*:1] Cc1cc(C(=O)N2CCC[NH+](CC2)[*:1])n(C)n1
Cc1cc(C(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)n(C)n1 Cn1cc(cn1)[*:1] Cc1cc(C(=O)N2CCC[NH+](CC2)C[*:1])n(C)n1
Cc1cc(C)nc(SCc2nc3cc(NC(=S)NC(C)C)ccc3n2C)n1 Cc1cc(C)nc(n1)[*:1] CC(C)NC(=S)Nc1ccc2c(c1)nc(CS[*:1])n2C
Cc1cc(C)nc(SCc2nc3cc(NC(=S)NC(C)C)ccc3n2C)n1 CC(C)[*:1] Cc1cc(C)nc(n1)SCc1nc2cc(ccc2n1C)NC(=S)N[*:1]
Cc1cc(C)nc(SCc2nc3cc(NC(=S)NC(C)C)ccc3n2C)n1 CC(C)NC(=S)N[*:1] Cc1cc(C)nc(n1)SCc1nc2cc(ccc2n1C)[*:1]
Cc1cc(C)nc(SCc2nc3cc(NC(=S)NC(C)C)ccc3n2C)n1 Cc1cc(C)nc(n1)S[*:1] CC(C)NC(=S)Nc1ccc2c(c1)nc(C[*:1])n2C
CCOc1cc(CNC(=O)N[C@@H](C)c2ccc(C)o2)ccn1 Cc1ccc(o1)[*:1] CCOc1cc(ccn1)CNC(=O)N[C@@H](C)[*:1]
CCOc1cc(CNC(=O)N[C@@H](C)c2ccc(C)o2)ccn1 CCO[*:1] Cc1ccc(o1)[C@H](C)NC(=O)NCc1ccnc(c1)[*:1]
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1S(=O)(=O)Oc1ccccc1[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccccc1-c1ccccc1 O=[N+]([O-])[*:1] Cc1cc(ccc1S(=O)(=O)Oc1ccccc1-c1ccccc1)[*:1]
Cc1nc(CN(C)C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)no1 Cc1nc(C[*:1])no1 CN(C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)[*:1]
Cc1nc(CN(C)C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)no1 Cc1nc(no1)[*:1] CN(C[*:1])C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12
CCOc1ccccc1C(=O)Oc1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1C(=O)O[*:1]
CCOc1ccccc1C(=O)Oc1ccccc1 CCO[*:1] O=C(Oc1ccccc1)c1ccccc1[*:1]
Cc1cc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)no1 Cc1cc(no1)[*:1] O=C(NCc1ccccc1F)c1ccc(cc1)NC[*:1]
Cc1cc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)no1 Fc1ccccc1[*:1] Cc1cc(CNc2ccc(cc2)C(=O)NC[*:1])no1
Cc1cc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)no1 Cc1cc(CN[*:1])no1 O=C(NCc1ccccc1F)c1ccc(cc1)[*:1]
Cc1cc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)no1 Cc1cc(C[*:1])no1 O=C(NCc1ccccc1F)c1ccc(cc1)N[*:1]
Cc1cc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)no1 Fc1ccccc1C[*:1] Cc1cc(CNc2ccc(cc2)C(=O)N[*:1])no1
COc1ccc(Cl)cc1CNC(=O)C(=O)Nc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] COc1ccc(Cl)cc1CNC(=O)C(=O)N[*:1]
CCCC(=O)Nc1cccc(C(=O)N[C@@H](C(=O)[O-])C2=C(C)N=N[C@@H]2C)c1 CCCC(=O)N[*:1] CC1N=N[C@H](C)C=1[C@@H](NC(=O)c1cccc(c1)[*:1])C(=O)[O-]
CCCC(=O)Nc1cccc(C(=O)N[C@@H](C(=O)[O-])C2=C(C)N=N[C@@H]2C)c1 O=C([O-])[*:1] CCCC(=O)Nc1cccc(c1)C(=O)N[C@@H](C1=C(C)N=N[C@@H]1C)[*:1]
CCCC(=O)Nc1cccc(C(=O)N[C@@H](C(=O)[O-])C2=C(C)N=N[C@@H]2C)c1 CCC[*:1] CC1N=N[C@H](C)C=1[C@@H](NC(=O)c1cccc(c1)NC(=O)[*:1])C(=O)[O-]
COCCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 COCC[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)N[*:1]
COCCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] COCCNC(=O)Cn1c(nc2ccccc21)[*:1]
COCCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 COC[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)NC[*:1]
COCCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 COCCNC(=O)[*:1] FC(F)(F)c1nc2ccccc2n1C[*:1]
CCN1CCO[C@@H]([C@@H](CCCS(C)(=O)=O)[NH2+]C)C1 CS(=O)(=O)C[*:1] CCN1CCO[C@H](C1)[C@@H](CC[*:1])[NH2+]C
CCN1CCO[C@@H]([C@@H](CCCS(C)(=O)=O)[NH2+]C)C1 CS(=O)(=O)CC[*:1] CCN1CCO[C@H](C1)[C@@H](C[*:1])[NH2+]C
CCN1CCO[C@@H]([C@@H](CCCS(C)(=O)=O)[NH2+]C)C1 CS(=O)(=O)[*:1] CCN1CCO[C@H](C1)[C@@H](CCC[*:1])[NH2+]C
CCn1c(C)cc(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1C NC(=O)[*:1] CCn1c(C)cc(C(=O)NC[C@@H]2CC[C@@H](O2)[*:1])c1C
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C[NH2+]C1CCCC1 C1CCC(C1)[*:1] C[C@@H]1[C@H](CCN1C(=O)C[NH2+][*:1])C(=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C[NH2+]C1CCCC1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)C[NH2+]C1CCCC1)[*:1]
CC[NH+](CC1CCC(C[NH3+])CC1)CC1CC1 C1CC1C[*:1] CC[NH+](CC1CCC(C[NH3+])CC1)[*:1]
CC[NH+](CC1CCC(C[NH3+])CC1)CC1CC1 C1CC1[*:1] CC[NH+](CC1CCC(C[NH3+])CC1)C[*:1]
COC(=O)c1ccc(N2CCN(Cc3cnc4cnccn34)[C@H](C)C2)cc1 COC(=O)[*:1] C[C@@H]1CN(CCN1Cc1cnc2cnccn12)c1ccc(cc1)[*:1]
COC(=O)c1ccc(N2CCN(Cc3cnc4cnccn34)[C@H](C)C2)cc1 c1cn2c(cnc2cn1)[*:1] COC(=O)c1ccc(cc1)N1CCN(C[*:1])[C@H](C)C1
CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)N[C@@H]1CCCC[C@@H]1CO)[*:1]
O=C(NCc1cccnc1-n1cccn1)c1ccsc1 c1cnn(c1)[*:1] O=C(NCc1cccnc1[*:1])c1ccsc1
O=C(NCc1cccnc1-n1cccn1)c1ccsc1 c1cc(cs1)[*:1] O=C(NCc1cccnc1-n1cccn1)[*:1]
COc1ccc(-n2cccc2C=C2SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] COc1ccc(cc1)-n1cccc1C=C1SC(=O)N(C[*:1])C1=O
COc1ccc(-n2cccc2C=C2SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CN1C(=O)SC(=Cc2cccn2[*:1])C1=O
COc1ccc(-n2cccc2C=C2SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-n1cccc1C=C1SC(=O)N(CC(=O)N[*:1])C1=O
Cc1cc(S(=O)(=O)NCc2cccs2)c(C)cc1Br c1csc(c1)[*:1] Cc1cc(c(C)cc1Br)S(=O)(=O)NC[*:1]
Cc1cc(S(=O)(=O)NCc2cccs2)c(C)cc1Br c1csc(c1)C[*:1] Cc1cc(c(C)cc1Br)S(=O)(=O)N[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN1CCN(CC1)c1cccc[nH+]1)[*:1]
CC[C@](O)(c1ccccc1)[C@]1(C[NH3+])CCC[C@H](C)C1 c1ccc(cc1)[*:1] CC[C@](O)([C@]1(C[NH3+])CCC[C@H](C)C1)[*:1]
C=CCn1c(C)cc(C2=NN=C(Nc3ccccc3)SC2)c1C c1ccc(cc1)[*:1] C=CCn1c(C)cc(C2CSC(=NN=2)N[*:1])c1C
C=CCn1c(C)cc(C2=NN=C(Nc3ccccc3)SC2)c1C C=CC[*:1] Cc1cc(C2CSC(=NN=2)Nc2ccccc2)c(C)n1[*:1]
Cc1nc2c(cc(O[C@H](C)[C@@H](C)O)c3ccsc32)s1 C[C@@H](O)[*:1] Cc1nc2c(cc(O[C@H](C)[*:1])c3ccsc32)s1
O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)NC1CCSCC1 C1CC(CCS1)[*:1] O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)N[*:1]
CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1cnccn1 c1cnc(cn1)[*:1] CCn1c(nnc1[*:1])SCc1ccc(F)cc1Cl
C[C@]1(CNC(=O)NCC(=O)NCc2ccco2)CCCc2ccccc21 c1coc(c1)C[*:1] C[C@@]1(CCCc2ccccc21)CNC(=O)NCC(=O)N[*:1]
C[C@]1(CNC(=O)NCC(=O)NCc2ccco2)CCCc2ccccc21 c1coc(c1)[*:1] C[C@@]1(CCCc2ccccc21)CNC(=O)NCC(=O)NC[*:1]
C/C(=C\CC[NH2+]C1CC1)C1CCC(C)CC1 C1CC1[*:1] C/C(=C\CC[NH2+][*:1])C1CCC(C)CC1
O=[N+]([O-])c1ncccc1OS(=O)(=O)Cc1cccc(F)c1 O=[N+]([O-])[*:1] O=S(=O)(Cc1cccc(F)c1)Oc1cccnc1[*:1]
O=[N+]([O-])c1ncccc1OS(=O)(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] O=[N+]([O-])c1ncccc1OS(=O)(=O)C[*:1]
CC(C)CC[C@@]1(CC(=O)[O-])CCOC(C)(C)C1 O=C([O-])[*:1] CC(C)CC[C@]1(CCOC(C)(C)C1)C[*:1]
CC(C)CC[C@@]1(CC(=O)[O-])CCOC(C)(C)C1 CC(C)CC[*:1] CC1(C)C[C@](CCO1)(CC(=O)[O-])[*:1]
CC(C)CC[C@@]1(CC(=O)[O-])CCOC(C)(C)C1 O=C([O-])C[*:1] CC(C)CC[C@]1(CCOC(C)(C)C1)[*:1]
CC(C)CC[C@@]1(CC(=O)[O-])CCOC(C)(C)C1 CC(C)[*:1] CC1(C)C[C@](CCO1)(CC[*:1])CC(=O)[O-]
CC(C)CC[C@@]1(CC(=O)[O-])CCOC(C)(C)C1 CC(C)C[*:1] CC1(C)C[C@@](CCO1)(CC(=O)[O-])C[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)c1cc(C)c2c(=O)[nH]c([O-])nc2n1 c1cc(ccn1)[*:1] CC[C@H](N(C)C(=O)c1cc(C)c2c(=O)[nH]c([O-])nc2n1)[*:1]
O=[N+]([O-])c1ccc(Cl)nc1Sc1ccncc1 O=[N+]([O-])[*:1] Clc1ccc(c(n1)Sc1ccncc1)[*:1]
CC(C)NC(=O)NNC(=O)c1cccnc1OCC(F)F FC(F)[*:1] CC(C)NC(=O)NNC(=O)c1cccnc1OC[*:1]
CC(C)NC(=O)NNC(=O)c1cccnc1OCC(F)F CC(C)[*:1] O=C(NNC(=O)c1cccnc1OCC(F)F)N[*:1]
CC(C)NC(=O)NNC(=O)c1cccnc1OCC(F)F FC(F)C[*:1] CC(C)NC(=O)NNC(=O)c1cccnc1O[*:1]
CC(C)NC(=O)NNC(=O)c1cccnc1OCC(F)F FC(F)CO[*:1] CC(C)NC(=O)NNC(=O)c1cccnc1[*:1]
COc1ccccc1C(=O)Oc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)C2=O COc1ccccc1[*:1] CC1=CC(C)(C)N2C(=O)C(=O)c3cc(cc1c32)OC(=O)[*:1]
CC1(C)C[NH+]=C(N2CCN(Cc3noc(C4CC4)n3)CC2)S1 C1CC1[*:1] CC1(C)C[NH+]=C(S1)N1CCN(CC1)Cc1noc(n1)[*:1]
CCCc1cc(NC(=O)c2ccc(OC(C)C)nc2)n(C)n1 CC(C)O[*:1] CCCc1cc(NC(=O)c2ccc(nc2)[*:1])n(C)n1
CCCc1cc(NC(=O)c2ccc(OC(C)C)nc2)n(C)n1 CCC[*:1] CC(C)Oc1ccc(cn1)C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)c2ccc(OC(C)C)nc2)n(C)n1 CC(C)[*:1] CCCc1cc(NC(=O)c2ccc(nc2)O[*:1])n(C)n1
O=C(NCC1CCC(C(=O)Nc2ccccc2)CC1)c1cc(-c2ccccc2)nc2ncccc12 c1ccc(cc1)[*:1] O=C(NCC1CCC(CC1)C(=O)N[*:1])c1cc(nc2ncccc12)-c1ccccc1
O=C(NCC1CCC(C(=O)Nc2ccccc2)CC1)c1cc(-c2ccccc2)nc2ncccc12 O=C(Nc1ccccc1)[*:1] O=C(NCC1CCC(CC1)[*:1])c1cc(nc2ncccc12)-c1ccccc1
O=C(NCC1CCC(C(=O)Nc2ccccc2)CC1)c1cc(-c2ccccc2)nc2ncccc12 c1ccc(cc1)[*:1] O=C(NCC1CCC(CC1)C(=O)Nc1ccccc1)c1cc(nc2ncccc12)[*:1]
Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)[O-])cc3C[C@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1Cc2cc(ccc2N1S(=O)(=O)[*:1])C(=O)[O-]
Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)[O-])cc3C[C@H]2C)cc1 O=C([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)N1c2ccc(cc2C[C@H]1C)[*:1]
Cc1ccc([C@H](C)NCCc2nncn2C2CC2)cc1[N+](=O)[O-] C1CC1[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)NCCc1nncn1[*:1]
Cc1ccc([C@H](C)NCCc2nncn2C2CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@H](C)NCCc1nncn1C1CC1
CCOc1ccccc1NC(=S)Nc1cc(C)n[nH]1 Cc1cc([nH]n1)[*:1] CCOc1ccccc1NC(=S)N[*:1]
CCOc1ccccc1NC(=S)Nc1cc(C)n[nH]1 CCO[*:1] Cc1cc(NC(=S)Nc2ccccc2[*:1])[nH]n1
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1 FC(F)(F)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)NC(=O)Cn1cc(ccc1=O)[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1cccc(c1)NC(=O)Cn1cc(ccc1=O)C(F)(F)F)[*:1]
Cc1cc(NC(=O)N2C[C@H](C)CC[C@@H]2C)ccc1Oc1cccnc1 c1cncc(c1)[*:1] Cc1cc(ccc1O[*:1])NC(=O)N1C[C@H](C)CC[C@@H]1C
Cc1cc(NC(=O)N2C[C@H](C)CC[C@@H]2C)ccc1Oc1cccnc1 c1cncc(c1)O[*:1] Cc1cc(ccc1[*:1])NC(=O)N1C[C@H](C)CC[C@@H]1C
Clc1ccc([C@H]2NN=C(c3ccccc3)S2)c(Cl)c1 c1ccc(cc1)[*:1] Clc1ccc(c(Cl)c1)[C@H]1NN=C(S1)[*:1]
Cn1c(=O)c(-c2ccc(C(=O)NC3CCCCCC3)cc2)nc2ccccc21 C1CCCC(CC1)[*:1] Cn1c(=O)c(nc2ccccc21)-c1ccc(cc1)C(=O)N[*:1]
C=CC[NH+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1C C=CC[*:1] Cc1c(cccc1[N+](=O)[O-])C[NH+](CC(=O)[O-])[*:1]
C=CC[NH+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1C O=C([O-])[*:1] C=CC[NH+](Cc1cccc(c1C)[N+](=O)[O-])C[*:1]
C=CC[NH+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] C=CC[NH+](CC(=O)[O-])Cc1cccc(c1C)[*:1]
Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc2c(C)n[nH]c2c1 c1coc(c1)[*:1] Cc1sc(nc1C(=O)Nc1ccc2c(C)n[nH]c2c1)[*:1]
CC[C@@H](C(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12)c1ccccc1 COC(=O)[*:1] CC[C@@H](C(=O)Nc1c([nH]c2ccc(C)cc12)[*:1])c1ccccc1
CC[C@@H](C(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1c([nH]c2ccc(C)cc12)C(=O)OC)[*:1]
C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1cccc(c1)[*:1]
O=C(NCCOc1ncccc1Cl)c1c(O)cccc1O Clc1cccnc1[*:1] O=C(NCCO[*:1])c1c(O)cccc1O
Cc1nc(-c2cccc(NC(=O)[C@H]3C[C@H]4CC[C@@H]3O4)c2)oc1C Cc1nc(oc1C)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCCc1ccco1 c1coc(c1)CC[*:1] CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)N[*:1]
CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCCc1ccco1 c1coc(c1)C[*:1] CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NC[*:1]
CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCCc1ccco1 c1coc(c1)[*:1] CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCC[*:1]
CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCCc1ccco1 O=C(NCCc1ccco1)[*:1] CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC[*:1]
Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O c1coc(c1)C[*:1] Cc1cc(ccc1N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O Cc1cc(ccc1[*:1])[N+](=O)[O-] O=C(NCc1ccco1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O O=C(NCc1ccco1)[*:1] Cc1cc(ccc1N1C(=O)c2ccc(cc2C1=O)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O c1coc(c1)[*:1] Cc1cc(ccc1N1C(=O)c2ccc(cc2C1=O)C(=O)NC[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O O=[N+]([O-])[*:1] Cc1cc(ccc1N1C(=O)c2ccc(cc2C1=O)C(=O)NCc1ccco1)[*:1]
Cc1nc(-c2cc(S(=O)(=O)NCCC[NH+]3CCCCCC3)c(C)s2)sc1C Cc1nc(sc1C)[*:1] Cc1sc(cc1S(=O)(=O)NCCC[NH+]1CCCCCC1)[*:1]
O=C([O-])Cn1cnc2ccc(C(=O)[O-])cc21 O=C([O-])C[*:1] O=C([O-])c1ccc2ncn(c2c1)[*:1]
O=C([O-])Cn1cnc2ccc(C(=O)[O-])cc21 O=C([O-])[*:1] O=C([O-])c1ccc2ncn(C[*:1])c2c1
O=C([O-])Cn1cnc2ccc(C(=O)[O-])cc21 O=C([O-])[*:1] O=C([O-])Cn1cnc2ccc(cc21)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)oc1C c1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)c1cc(oc1C)S(N)(=O)=O
CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)oc1C c1ccc(cc1)C[*:1] CC[C@H](NC(=O)c1cc(oc1C)S(N)(=O)=O)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)oc1C NS(=O)(=O)[*:1] CC[C@H](Cc1ccccc1)NC(=O)c1cc(oc1C)[*:1]
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C#CCN)s1 NCC#C[*:1] C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(s1)[*:1]
CCn1ccnc(N[C@H](C)CCC[NH3+])c1=O [NH3+]CC[*:1] CCn1ccnc(N[C@H](C)C[*:1])c1=O
CCn1ccnc(N[C@H](C)CCC[NH3+])c1=O [NH3+]CCC[*:1] CCn1ccnc(N[C@H](C)[*:1])c1=O
O=C(/C=C/c1ccncc1)NCCc1nc2ccc(F)cc2[nH]1 c1cc(ccn1)[*:1] O=C(C=C[*:1])NCCc1nc2ccc(F)cc2[nH]1
CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](CC)n1cccn1)CC2 c1cnn(c1)[*:1] CCC(=O)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[C@H](CC)[*:1]
O=C(NCCn1ccc2ccccc21)[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(NCCn1ccc2ccccc21)[C@@H]1CCCN(C1)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](C)N=C1C(=O)Nc1ccc(C)cc1 CC(C)OC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)Nc1ccc(C)cc1
CC1=C(C(=O)OC(C)C)[C@H](C)N=C1C(=O)Nc1ccc(C)cc1 CC(C)[*:1] CC1C(=N[C@@H](C)C=1C(=O)O[*:1])C(=O)Nc1ccc(C)cc1
CC1=C(C(=O)OC(C)C)[C@H](C)N=C1C(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC1C(=N[C@@H](C)C=1C(=O)OC(C)C)C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]3CCCc4cccc2c43)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32
CC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]3CCCc4cccc2c43)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(N[C@@H]1C[C@H]2CCCc3cccc1c32)C(=O)N[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2[nH]ccc12 CCC[*:1] N#Cc1ccc(cc1)CN(C(=O)c1cccc2[nH]ccc12)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2[nH]ccc12 N#Cc1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)c1cccc2[nH]ccc12
CCOC(=O)[C@H]1CCCCN1Cc1cnc(NN)s1 CCOC(=O)[*:1] NNc1ncc(CN2CCCC[C@@H]2[*:1])s1
Cc1cc(N2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4ccccc34)CC2)nc2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cc1cc(nc2ccccc12)N1CC[NH+](CC1)[C@@H](C(=O)[O-])[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N[C@H]1CCCS(=O)(=O)C1 CC(C)C[*:1] [NH3+]C[C@H](C(=O)N[C@H]1CCCS(=O)(=O)C1)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N[C@H]1CCCS(=O)(=O)C1 CC(C)[*:1] [NH3+]C[C@@H](C[*:1])C(=O)N[C@H]1CCCS(=O)(=O)C1
COc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1nc(cs1)C[NH+]1CCC(C)CC1
COc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)Nc1nc(cs1)C[NH+]1CCC(C)CC1
Cc1ncc([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)s1 Cc1ncc(s1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
Cc1ncc([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)s1 CC(C)(C)[*:1] Cc1ncc(s1)[C@@H](C)[NH2+]C1CCN(CC1)C(=O)O[*:1]
CN(C)c1ccc(/C=N/N2C(=S)[NH+]=N[C@H]2c2cc[nH+]cc2)cc1 CN(C)[*:1] S=C1[NH+]=N[C@@H](c2cc[nH+]cc2)N1/N=C/c1ccc(cc1)[*:1]
Cc1cc(SCC(=O)[O-])nc(-c2ccccc2)n1 O=C([O-])C[*:1] Cc1cc(nc(n1)-c1ccccc1)S[*:1]
Cc1cc(SCC(=O)[O-])nc(-c2ccccc2)n1 O=C([O-])[*:1] Cc1cc(nc(n1)-c1ccccc1)SC[*:1]
Cc1cc(SCC(=O)[O-])nc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(nc(n1)[*:1])SCC(=O)[O-]
Cc1cc(SCC(=O)[O-])nc(-c2ccccc2)n1 O=C([O-])CS[*:1] Cc1cc(nc(n1)-c1ccccc1)[*:1]
CCCCc1noc(CSc2nnc(-c3ccc(Cl)cc3)n2C)n1 Clc1ccc(cc1)[*:1] CCCCc1noc(CSc2nnc(n2C)[*:1])n1
CCCCc1noc(CSc2nnc(-c3ccc(Cl)cc3)n2C)n1 CCC[*:1] Cn1c(nnc1-c1ccc(Cl)cc1)SCc1nc(C[*:1])no1
CCCCc1noc(CSc2nnc(-c3ccc(Cl)cc3)n2C)n1 CCCC[*:1] Cn1c(nnc1-c1ccc(Cl)cc1)SCc1nc(no1)[*:1]
O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[*:1]
Cn1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2ccc(cc2)-c2nnn[n-]2)c(n1)[*:1]
COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@@H]1[*:1])S(=O)(=O)c1ccc(Cl)c(Cl)c1
N#Cc1cc(NC(=O)C2CCN(c3nc4ccsc4c(=O)n3-c3ccccc3)CC2)ccc1F N#Cc1cc(ccc1F)[*:1] O=C(N[*:1])C1CCN(CC1)c1nc2ccsc2c(=O)n1-c1ccccc1
N#Cc1cc(NC(=O)C2CCN(c3nc4ccsc4c(=O)n3-c3ccccc3)CC2)ccc1F c1ccc(cc1)[*:1] N#Cc1cc(ccc1F)NC(=O)C1CCN(CC1)c1nc2ccsc2c(=O)n1[*:1]
O=C1C[C@H](C(=O)[O-])c2c(nc(N3CCSCC3)[nH]c2=O)N1 O=C([O-])[*:1] O=C1C[C@H](c2c(nc([nH]c2=O)N2CCSCC2)N1)[*:1]
O=C1C[C@H](C(=O)[O-])c2c(nc(N3CCSCC3)[nH]c2=O)N1 C1CN(CCS1)[*:1] O=C1C[C@H](C(=O)[O-])c2c(nc([nH]c2=O)[*:1])N1
C[NH+](C)Cc1cccc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)NNC(=O)[*:1]
CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(C3=COCCO3)o2)cc1 CCS(=O)(=O)[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1nnc(o1)C1=COCCO1
COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C(N)=O NC(=O)[*:1] COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[*:1]
CCOC[C@@H]1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 CCOC[*:1] O=C1COc2cc(ccc2N1)C(=O)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 CCO[*:1] O=C1COc2cc(ccc2N1)C(=O)N1CC[C@H](C1)C[*:1]
ClCCNc1ccc2[n+](n1)CCN2 ClCCN[*:1] c1cc2NCC[n+]2nc1[*:1]
ClCCNc1ccc2[n+](n1)CCN2 ClCC[*:1] c1cc2NCC[n+]2nc1N[*:1]
Cc1ccc2nsnc2c1NC(=O)CN1CC[NH+](CCOC(C)C)CC1 CC(C)OCC[*:1] Cc1ccc2nsnc2c1NC(=O)CN1CC[NH+](CC1)[*:1]
Cc1ccc2nsnc2c1NC(=O)CN1CC[NH+](CCOC(C)C)CC1 CC(C)OC[*:1] Cc1ccc2nsnc2c1NC(=O)CN1CC[NH+](CC1)C[*:1]
Cc1ccc2nsnc2c1NC(=O)CN1CC[NH+](CCOC(C)C)CC1 CC(C)O[*:1] Cc1ccc2nsnc2c1NC(=O)CN1CC[NH+](CC1)CC[*:1]
Cc1ccc2nsnc2c1NC(=O)CN1CC[NH+](CCOC(C)C)CC1 CC(C)[*:1] Cc1ccc2nsnc2c1NC(=O)CN1CC[NH+](CCO[*:1])CC1
C[C@H](CNC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(Cn1cc(ccc1=O)C(F)(F)F)NC[*:1]
C[C@H](CNC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccccc1 FC(F)(F)[*:1] C[C@H](CNC(=O)Cn1cc(ccc1=O)[*:1])c1ccccc1
C[C@H](CNC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)Cn1cc(ccc1=O)C(F)(F)F)[*:1]
C[C@@H](C(=O)N1CCc2ccc(Cl)cc2C1)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCc2ccc(Cl)cc2C1)n1nnc(n1)[*:1]
CCc1cc(N2CCCSCC2)nc(-c2ccncc2)n1 C1CSCCN(C1)[*:1] CCc1cc(nc(n1)-c1ccncc1)[*:1]
CCc1cc(N2CCCSCC2)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CCc1cc(nc(n1)[*:1])N1CCCSCC1
Cc1ccc(CN2/C(=N/C(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 Cc1ccc(cc1)[*:1] O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1C[*:1]
Cc1ccc(CN2/C(=N/C(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 Cc1ccc(cc1)C[*:1] O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1ccc(CN2/C(=N/C(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 O=C([O-])[*:1] Cc1ccc(cc1)CN1/C(=N/C(=O)CC[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1ccc(CN2/C(=N/C(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 O=C([O-])CC[*:1] Cc1ccc(cc1)CN1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1ccc(CN2/C(=N/C(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)CN1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)no2)cc1F Cc1ccc(cc1F)[*:1] Cc1ccc(cc1NC(=O)c1cc(on1)[*:1])[N+](=O)[O-]
Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)no2)cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1F)-c1cc(no1)C(=O)Nc1cc(ccc1C)[*:1]
Cc1ccc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C1CS[C@@H](c2c(F)cccc2Cl)N1[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)CC/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 CN(Cc1cnn(c1)-c1ccccc1)C(=O)CC[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)CC/C=C/c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)CC/C=C/c1ccccc1
CN(Cc1cnn(-c2ccccc2)c1)C(=O)CC/C=C/c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)CCC=C[*:1]
COCCn1c(=C(C#N)C#N)s/c(=C/c2ccc(Cl)cc2)c1=O COC[*:1] N#CC(C#N)=c1s/c(=C/c2ccc(Cl)cc2)c(=O)n1C[*:1]
COCCn1c(=C(C#N)C#N)s/c(=C/c2ccc(Cl)cc2)c1=O COCC[*:1] N#CC(C#N)=c1s/c(=C/c2ccc(Cl)cc2)c(=O)n1[*:1]
COCCn1c(=C(C#N)C#N)s/c(=C/c2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] COCCn1c(sc(=C[*:1])c1=O)=C(C#N)C#N
CCc1cc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)sc1C CC(C)(C)[*:1] CCc1cc(sc1C)C(=O)Nc1cccc(c1)S(=O)(=O)N[*:1]
CCc1cc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)sc1C CCc1cc(sc1C)[*:1] CC(C)(C)NS(=O)(=O)c1cccc(c1)NC(=O)[*:1]
CCc1cc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)sc1C CC(C)(C)NS(=O)(=O)[*:1] CCc1cc(sc1C)C(=O)Nc1cccc(c1)[*:1]
CS(=O)(=O)CCSCCn1cnc2ccsc2c1=O CS(=O)(=O)[*:1] O=c1c2sccc2ncn1CCSCC[*:1]
CS(=O)(=O)CCSCCn1cnc2ccsc2c1=O CS(=O)(=O)CC[*:1] O=c1c2sccc2ncn1CCS[*:1]
CS(=O)(=O)CCSCCn1cnc2ccsc2c1=O CS(=O)(=O)C[*:1] O=c1c2sccc2ncn1CCSC[*:1]
CCc1ccccc1OC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 CCc1ccccc1[*:1] C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[*:1]
O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc(F)cc(F)c1 Clc1ccccc1[*:1] O=C(Nc1nc(cs1)[*:1])c1cc(F)cc(F)c1
C[C@H](CNC(=O)N1CCC(OCc2ccc(F)cc2)CC1)C[NH+]1CCCCC1 Fc1ccc(cc1)C[*:1] C[C@H](CNC(=O)N1CCC(CC1)O[*:1])C[NH+]1CCCCC1
C[C@H](CNC(=O)N1CCC(OCc2ccc(F)cc2)CC1)C[NH+]1CCCCC1 Fc1ccc(cc1)CO[*:1] C[C@H](CNC(=O)N1CCC(CC1)[*:1])C[NH+]1CCCCC1
C[C@H](CNC(=O)N1CCC(OCc2ccc(F)cc2)CC1)C[NH+]1CCCCC1 Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CCC(CC1)OC[*:1])C[NH+]1CCCCC1
CCC[C@H]1CN(c2ccn(C)n2)[C@H](CC)C[NH2+]1 CCC[*:1] CC[C@@H]1C[NH2+][C@H](CN1c1ccn(C)n1)[*:1]
Cc1cncc(C(=O)NCC(C)(C)C)c1 CC(C)(C)[*:1] Cc1cncc(c1)C(=O)NC[*:1]
Cc1cncc(C(=O)NCC(C)(C)C)c1 CC(C)(C)C[*:1] Cc1cncc(c1)C(=O)N[*:1]
CC(C)c1cc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)on1 Clc1ccc(cc1)CC[*:1] CC(C)c1cc(on1)C(=O)N(C)CC1CC[NH+](CC1)[*:1]
CC(C)c1cc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)on1 Clc1ccc(cc1)[*:1] CC(C)c1cc(on1)C(=O)N(C)CC1CC[NH+](CC1)CC[*:1]
CC(C)c1cc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)on1 Clc1ccc(cc1)C[*:1] CC(C)c1cc(on1)C(=O)N(C)CC1CC[NH+](CC1)C[*:1]
CC(C)c1cc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)on1 CC(C)c1cc(on1)[*:1] CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)[*:1]
CC(C)c1cc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)on1 CC(C)[*:1] CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1cc(no1)[*:1]
Cn1nc(C(F)(F)F)c(-c2ccccc2)c1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O c1ccc(cc1)[*:1] Cn1nc(c(c1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)[*:1])C(F)(F)F
Cn1nc(C(F)(F)F)c(-c2ccccc2)c1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O FC(F)(F)[*:1] Cn1nc(c(-c2ccccc2)c1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)[*:1]
CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)Cc2cccc3ccccc23)o1 CS(=O)(=O)[*:1] O=C(Cc1cccc2ccccc12)Nc1nnc(o1)-c1ccccc1[*:1]
CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(C#N)c1 Cc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)Nc1cccc(C#N)c1
Cc1ccc(NC(=O)N2CCC(CO)(CCOc3ccccc3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])N1CCC(CO)(CCOc2ccccc2)CC1
Cc1ccc(NC(=O)N2CCC(CO)(CCOc3ccccc3)CC2)c(C)c1 c1ccc(cc1)OC[*:1] Cc1ccc(NC(=O)N2CCC(CO)(CC2)C[*:1])c(C)c1
Cc1ccc(NC(=O)N2CCC(CO)(CCOc3ccccc3)CC2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)N2CCC(CO)(CCO[*:1])CC2)c(C)c1
Cc1ccc(NC(=O)N2CCC(CO)(CCOc3ccccc3)CC2)c(C)c1 c1ccc(cc1)OCC[*:1] Cc1ccc(NC(=O)N2CCC(CO)(CC2)[*:1])c(C)c1
Cc1ccc(NC(=O)N2CCC(CO)(CCOc3ccccc3)CC2)c(C)c1 c1ccc(cc1)O[*:1] Cc1ccc(NC(=O)N2CCC(CO)(CC2)CC[*:1])c(C)c1
O=C(Nc1ccccn1)N1CCC(n2cc[nH+]c2)CC1 c1ccc(nc1)[*:1] O=C(N[*:1])N1CCC(CC1)n1cc[nH+]c1
Cc1ccc2c(c1)N(C(=O)C[C@@H]1CCS(=O)(=O)C1)C[C@@H](C)O2 O=S1(=O)CC[C@H](C1)[*:1] Cc1ccc2O[C@H](C)CN(C(=O)C[*:1])c2c1
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1cccc2ccccc12 O=[N+]([O-])[*:1] COc1ccc(cc1S(=O)(=O)N[C@@H](C)c1cccc2ccccc12)[*:1]
CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CSCC(C)C)C1 CC(C)CS[*:1] CC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)C[*:1]
CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CSCC(C)C)C1 CC(C)C[*:1] CC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)CS[*:1]
CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CSCC(C)C)C1 CC(C)[*:1] CC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)CSC[*:1]
COc1ccc([C@H]2[C@H](C(=O)[O-])CCN2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1[C@@H](CCN1[*:1])C(=O)[O-]
COc1ccc([C@H]2[C@H](C(=O)[O-])CCN2c2ccc(F)cc2)cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@H]1[C@H](CCN1c1ccc(F)cc1)[*:1]
Cc1nsc(N2CCN(CCNS(C)(=O)=O)CC2)n1 CS(=O)(=O)N[*:1] Cc1nsc(n1)N1CCN(CC1)CC[*:1]
Cc1nsc(N2CCN(CCNS(C)(=O)=O)CC2)n1 CS(=O)(=O)NC[*:1] Cc1nsc(n1)N1CCN(CC1)C[*:1]
Cc1nsc(N2CCN(CCNS(C)(=O)=O)CC2)n1 Cc1nsc(n1)[*:1] CS(=O)(=O)NCCN1CCN(CC1)[*:1]
C=C(C)Cn1c(N)c(NC(=O)NC(C)C)c(=O)n(C)c1=O CC(C)[*:1] C=C(C)Cn1c(N)c(NC(=O)N[*:1])c(=O)n(C)c1=O
C=C(C)Cn1c(N)c(NC(=O)NC(C)C)c(=O)n(C)c1=O CC(C)NC(=O)N[*:1] C=C(C)Cn1c(N)c(c(=O)n(C)c1=O)[*:1]
C=C(C)Cn1c(N)c(NC(=O)NC(C)C)c(=O)n(C)c1=O C=C(C)[*:1] CC(C)NC(=O)Nc1c(N)n(C[*:1])c(=O)n(C)c1=O
C=C(C)Cn1c(N)c(NC(=O)NC(C)C)c(=O)n(C)c1=O C=C(C)C[*:1] CC(C)NC(=O)Nc1c(N)n(c(=O)n(C)c1=O)[*:1]
C[C@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(-n2ccnc2)cc1 C1CCC(CC1)[*:1] C[C@H](NC(=O)CNC(=O)[*:1])c1ccc(cc1)-n1ccnc1
C[C@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(cc1)[*:1]
Cc1ccc2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2n1 O=[N+]([O-])[*:1] Cc1ccc2cccc(OS(=O)(=O)c3ccc(cc3C)[*:1])c2n1
CCN[C@H](c1ccc(F)c(F)c1F)[C@@](C)(CC)[NH+](C)C CCN[*:1] CC[C@](C)([C@@H](c1ccc(F)c(F)c1F)[*:1])[NH+](C)C
COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)N2CCOCC2)cc1 COc1ccc(cc1)C[*:1] Cc1cccc2cc(c(=O)[nH]c12)[C@H](c1nnnn1[*:1])N1CCOCC1
COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)Cn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[*:1]
COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1cccc2cc(c(=O)[nH]c12)[C@H](c1nnnn1C[*:1])N1CCOCC1
CC(C)C(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCN(CC1)c1ccc(F)cc1
CC(C)C(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 CC(C)C(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(F)cc1
CNC(=O)c1ccc(/C=C/C(=O)NC[C@@H](OC)c2ccccc2)cc1 CNC(=O)[*:1] CO[C@H](CNC(=O)/C=C/c1ccc(cc1)[*:1])c1ccccc1
CNC(=O)c1ccc(/C=C/C(=O)NC[C@@H](OC)c2ccccc2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(/C=C/C(=O)NC[C@@H](OC)[*:1])cc1
CCOC(=O)C[C@@H]([NH3+])c1ccc(C2CC2)cc1 C1CC1[*:1] CCOC(=O)C[C@@H]([NH3+])c1ccc(cc1)[*:1]
CCOC(=O)C[C@@H]([NH3+])c1ccc(C2CC2)cc1 CCOC(=O)[*:1] [NH3+][C@H](C[*:1])c1ccc(cc1)C1CC1
Cc1ccc(NC(=O)C(=O)NCC[C@@H](O)c2ccco2)cc1F c1coc(c1)[*:1] Cc1ccc(cc1F)NC(=O)C(=O)NCC[C@@H](O)[*:1]
O=C1c2ccccc2N[C@@H](c2nc3c(s2)CCC3)N1Cc1cccnc1 C1Cc2nc(sc2C1)[*:1] O=C1c2ccccc2N[C@@H](N1Cc1cccnc1)[*:1]
O=C1c2ccccc2N[C@@H](c2nc3c(s2)CCC3)N1Cc1cccnc1 c1cncc(c1)[*:1] O=C1c2ccccc2N[C@@H](c2nc3CCCc3s2)N1C[*:1]
O=C1c2ccccc2N[C@@H](c2nc3c(s2)CCC3)N1Cc1cccnc1 c1cncc(c1)C[*:1] O=C1c2ccccc2N[C@@H](c2nc3CCCc3s2)N1[*:1]
Cl[C@@H](c1ccccc1)c1nc([C@@H]2CSCCS2)no1 c1ccc(cc1)[*:1] Cl[C@@H](c1nc(no1)[C@@H]1CSCCS1)[*:1]
Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)c1C Cc1cccc(c1C)[*:1] O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)N[*:1]
Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)c1C c1cc(ccn1)C[*:1] Cc1cccc(NC(=O)Cn2c(=O)n(c(=O)c3ncccc32)[*:1])c1C
Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)c1C c1cc(ccn1)[*:1] Cc1cccc(NC(=O)Cn2c(=O)n(C[*:1])c(=O)c3ncccc32)c1C
C[C@H](Oc1ccccc1)C(=O)N1CCN(C(=O)CO)CC1 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)C(=O)CO
C[C@H](Oc1ccccc1)C(=O)N1CCN(C(=O)CO)CC1 c1ccc(cc1)O[*:1] C[C@H](C(=O)N1CCN(CC1)C(=O)CO)[*:1]
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cn(C)nc2C(C)(C)C)C1 CC(C)(C)[*:1] Cc1ccccc1[C@@H]1C[C@@H](C)N(C1)C(=O)c1cn(C)nc1[*:1]
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cn(C)nc2C(C)(C)C)C1 Cc1ccccc1[*:1] C[C@@H]1C[C@H](CN1C(=O)c1cn(C)nc1C(C)(C)C)[*:1]
CC[NH+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1cccs1 c1ccc(cc1)[*:1] CC[NH+](Cc1ccc(cc1)C(=O)N[*:1])Cc1cccs1
CC[NH+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1cccs1 c1csc(c1)[*:1] CC[NH+](Cc1ccc(cc1)C(=O)Nc1ccccc1)C[*:1]
CC(C)(C)c1csc(C[NH+]2CC(C(=O)[O-])C2)n1 CC(C)(C)[*:1] O=C([O-])C1C[NH+](Cc2nc(cs2)[*:1])C1
CC(C)(C)c1csc(C[NH+]2CC(C(=O)[O-])C2)n1 O=C([O-])[*:1] CC(C)(C)c1csc(C[NH+]2CC(C2)[*:1])n1
COC[C@@H](C)[NH+]1CCN(Cc2cnc3ncccn23)CC1 COC[*:1] C[C@@H]([NH+]1CCN(CC1)Cc1cnc2ncccn12)[*:1]
O=C(CCC(F)(F)F)N[C@H]1CCOc2c(Cl)cccc21 FC(F)(F)C[*:1] O=C(C[*:1])N[C@H]1CCOc2c(Cl)cccc21
O=C(CCC(F)(F)F)N[C@H]1CCOc2c(Cl)cccc21 FC(F)(F)CC[*:1] O=C(N[C@H]1CCOc2c(Cl)cccc21)[*:1]
O=C(CCC(F)(F)F)N[C@H]1CCOc2c(Cl)cccc21 FC(F)(F)[*:1] O=C(CC[*:1])N[C@H]1CCOc2c(Cl)cccc21
CCCC[C@H](C(=O)[O-])[C@H](C)O C[C@H](O)[*:1] CCCC[C@H](C(=O)[O-])[*:1]
CCCC[C@H](C(=O)[O-])[C@H](C)O CCC[*:1] C[C@H](O)[C@H](C[*:1])C(=O)[O-]
CCCC[C@H](C(=O)[O-])[C@H](C)O O=C([O-])[*:1] CCCC[C@H]([C@H](C)O)[*:1]
CCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1 CCC[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)C1CCCC1
CCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)[*:1]
CCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1 CCCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCCC1
CC(=O)Nc1ccc(C(=O)NCC(=O)OCc2ccc(Cl)cc2Cl)cc1 CC(=O)N[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])OCc1ccc(Cl)cc1Cl
CC(=O)Nc1ccc(C(=O)NCC(=O)OCc2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)NCC(=O)OC[*:1]
COC[C@H](NC(=O)NCC(=O)NC1CC1)c1ccc(F)c(F)c1 COC[*:1] O=C(CNC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1])NC1CC1
COC[C@H](NC(=O)NCC(=O)NC1CC1)c1ccc(F)c(F)c1 O=C(C[*:1])NC1CC1 COC[C@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)NCC(=O)NC1CC1)c1ccc(F)c(F)c1 O=C(NC1CC1)[*:1] COC[C@H](NC(=O)NC[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)NCC(=O)NC1CC1)c1ccc(F)c(F)c1 C1CC1[*:1] COC[C@H](NC(=O)NCC(=O)N[*:1])c1ccc(F)c(F)c1
COCCCC(=O)N[C@@H](C)c1nnn[n-]1 COCC[*:1] C[C@H](NC(=O)C[*:1])c1nnn[n-]1
COCCCC(=O)N[C@@H](C)c1nnn[n-]1 COCCC[*:1] C[C@H](NC(=O)[*:1])c1nnn[n-]1
COCCCC(=O)N[C@@H](C)c1nnn[n-]1 COC[*:1] C[C@H](NC(=O)CC[*:1])c1nnn[n-]1
C[C@H]1OCc2c1nc(N)c(C#N)c2-c1ccccc1-c1ccco1 c1coc(c1)[*:1] C[C@H]1OCc2c1nc(N)c(C#N)c2-c1ccccc1[*:1]
C[C@H](NC(=O)N1CCCC1(C)C)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] C[C@H](NC(=O)N1CCCC1(C)C)c1nc(no1)[*:1]
N#CCOc1ccc(C2=NO[C@@H]3[C@H]2[C@H]2CC[C@@H]3C2)cc1 N#CC[*:1] c1cc(ccc1O[*:1])C1=NO[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1
N#CCOc1ccc(C2=NO[C@@H]3[C@H]2[C@H]2CC[C@@H]3C2)cc1 N#CCO[*:1] c1cc(ccc1C1=NO[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1)[*:1]
COc1ccc(NC(=O)Nc2nnc(COc3ccc(F)cc3)s2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Nc1nnc(CO[*:1])s1
COc1ccc(NC(=O)Nc2nnc(COc3ccc(F)cc3)s2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nnc(COc2ccc(F)cc2)s1)N[*:1]
COc1ccc(NC(=O)Nc2nnc(COc3ccc(F)cc3)s2)cc1 Fc1ccc(cc1)O[*:1] COc1ccc(cc1)NC(=O)Nc1nnc(C[*:1])s1
CC(=O)N1CCCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 c1cnc(nc1)[*:1] CC(=O)N1CCCN(CC1)C(=O)N[C@@H]1CCCN(C1)[*:1]
Cc1ccc(C)c(CN2CC(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)c1 Fc1ccccc1C[*:1] Cc1ccc(C)c(c1)CN1CC(=O)N(c2ccccc2S1(=O)=O)[*:1]
Cc1ccc(C)c(CN2CC(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)c1 Cc1ccc(C)c(c1)C[*:1] O=C1CN(S(=O)(=O)c2ccccc2N1Cc1ccccc1F)[*:1]
Cc1ccc(C)c(CN2CC(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)c1 Fc1ccccc1[*:1] Cc1ccc(C)c(c1)CN1CC(=O)N(C[*:1])c2ccccc2S1(=O)=O
Cc1ccc(C)c(CN2CC(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)c1 Cc1ccc(C)c(c1)[*:1] O=C1CN(C[*:1])S(=O)(=O)c2ccccc2N1Cc1ccccc1F
CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccco2)C1 c1coc(c1)C[*:1] CC(C)CN1CCO[C@@H](C[NH2+][*:1])C1
CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccco2)C1 c1coc(c1)[*:1] CC(C)CN1CCO[C@@H](C[NH2+]C[*:1])C1
CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccco2)C1 CC(C)[*:1] c1coc(c1)C[NH2+]C[C@H]1CN(CCO1)C[*:1]
CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccco2)C1 CC(C)C[*:1] c1coc(c1)C[NH2+]C[C@H]1CN(CCO1)[*:1]
O=C(/C=C/c1cccnc1)N1CCC[C@H]1c1ccccc1Cl c1cncc(c1)[*:1] O=C(C=C[*:1])N1CCC[C@H]1c1ccccc1Cl
O=C(/C=C/c1cccnc1)N1CCC[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] O=C(/C=C/c1cccnc1)N1CCC[C@@H]1[*:1]
CCc1nn(C)cc1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 CCc1nn(C)cc1[*:1] COC(=O)c1cc(cc(C)c1[N+](=O)[O-])NC[*:1]
CCc1nn(C)cc1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 O=[N+]([O-])[*:1] CCc1nn(C)cc1CNc1cc(C)c(c(c1)C(=O)OC)[*:1]
CCc1nn(C)cc1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 COC(=O)[*:1] CCc1nn(C)cc1CNc1cc(C)c(c(c1)[*:1])[N+](=O)[O-]
Cc1cc(F)ccc1NCC(=O)N(C)CC(=O)Nc1ccccc1Cl Cc1cc(F)ccc1[*:1] CN(CC(=O)Nc1ccccc1Cl)C(=O)CN[*:1]
Cc1cc(F)ccc1NCC(=O)N(C)CC(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] Cc1cc(F)ccc1NCC(=O)N(C)CC(=O)N[*:1]
C[C@H](OC(=O)CCn1c(=O)oc2ccccc21)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] C[C@H](OC(=O)CCn1c(=O)oc2ccccc21)[*:1]
Cc1cc(C)c2c(N3CCCC3)nc(C(=O)NCC3CC3)nc2n1 O=C(NCC1CC1)[*:1] Cc1cc(C)c2c(nc(nc2n1)[*:1])N1CCCC1
Cc1cc(C)c2c(N3CCCC3)nc(C(=O)NCC3CC3)nc2n1 C1CC1[*:1] Cc1cc(C)c2c(nc(nc2n1)C(=O)NC[*:1])N1CCCC1
Cc1cc(C)c2c(N3CCCC3)nc(C(=O)NCC3CC3)nc2n1 C1CC1C[*:1] Cc1cc(C)c2c(nc(nc2n1)C(=O)N[*:1])N1CCCC1
Cc1cc(C)c2c(N3CCCC3)nc(C(=O)NCC3CC3)nc2n1 C1CCN(C1)[*:1] Cc1cc(C)c2c(nc(nc2n1)C(=O)NCC1CC1)[*:1]
CCOc1cc(C)ccc1OCC(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1C Cc1cnccc1[*:1] CCOc1cc(C)ccc1OCC(=O)N1CCC[C@H]1c1n[nH]cc1[*:1]
CCOc1cc(C)ccc1OCC(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1C CCOc1cc(C)ccc1[*:1] Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCN1C(=O)CO[*:1]
CCOc1cc(C)ccc1OCC(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1C CCO[*:1] Cc1ccc(OCC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2C)c(c1)[*:1]
CC(C)n1cc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cn1 c1cncc(c1)[*:1] CC(C)n1cc(cn1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)n1cc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cn1 CC(C)n1cc(cn1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cccnc1
CC(C)n1cc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)[*:1])C1CCN(CC1)S(=O)(=O)c1cccnc1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C)[C@H]1c1ccc(OC(C)C)cc1 Cc1nn(C)c(C)c1[*:1] CC(C)Oc1ccc(cc1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C)[C@H]1c1ccc(OC(C)C)cc1 CC(C)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C)[C@H]1c1ccc(cc1)O[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C)[C@H]1c1ccc(OC(C)C)cc1 CC(C)O[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C)[C@H]1c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccsc3)n2)o1 c1cc(cs1)[*:1] CC(=O)NCc1ccc(o1)-c1csc(n1)NC(=O)C[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccsc3)n2)o1 CC(=O)NC[*:1] O=C(Cc1ccsc1)Nc1nc(cs1)-c1ccc(o1)[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccsc3)n2)o1 CC(=O)N[*:1] O=C(Cc1ccsc1)Nc1nc(cs1)-c1ccc(C[*:1])o1
CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccsc3)n2)o1 c1cc(cs1)C[*:1] CC(=O)NCc1ccc(o1)-c1csc(n1)NC(=O)[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)nc3)ccc21 Cc1ccc(cc1C)[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)Nc1ccc(nc1)O[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)nc3)ccc21 Cc1ccc(cc1C)O[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)Nc1ccc(nc1)[*:1]
O=C1CCc2cc(S(=O)(=O)[N-]c3sc(C4CC4)nc3-c3ccccc3)ccc2N1 C1CC1[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)[N-]c1sc(nc1-c1ccccc1)[*:1]
O=C1CCc2cc(S(=O)(=O)[N-]c3sc(C4CC4)nc3-c3ccccc3)ccc2N1 c1ccc(cc1)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)[N-]c1sc(nc1[*:1])C1CC1
Cn1ccnc(NC(=O)CCc2cc(Cl)cs2)c1=O Clc1csc(c1)[*:1] Cn1ccnc(NC(=O)CC[*:1])c1=O
O=C(CCC1CC1)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 C1CC1[*:1] O=C(CC[*:1])Nc1ccc(cc1)C[C@@H]1NC(=O)NC1=O
O=C(CCC1CC1)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 C1CC1CC[*:1] O=C1NC(=O)[C@H](Cc2ccc(cc2)NC(=O)[*:1])N1
O=C(CCC1CC1)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 C1CC1C[*:1] O=C(C[*:1])Nc1ccc(cc1)C[C@@H]1NC(=O)NC1=O
CC(C)(C)c1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 CC(C)(C)[*:1] O=[N+]([O-])c1cccc(c1)-c1n[nH]c(COc2ccc(cc2)[*:1])n1
CC(C)(C)c1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 O=[N+]([O-])[*:1] CC(C)(C)c1ccc(cc1)OCc1nc(n[nH]1)-c1cccc(c1)[*:1]
C[NH+](C)C1CCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)CO[*:1] C[NH+](C)C1CCN(CC1)Cc1cc(Cl)ccc1[*:1]
C[NH+](C)C1CCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] C[NH+](C)C1CCN(CC1)Cc1cc(Cl)ccc1OC[*:1]
C[NH+](C)C1CCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] C[NH+](C)C1CCN(CC1)Cc1cc(Cl)ccc1O[*:1]
Cn1ncnc1/N=C(\[O-])N1CC(=O)N[C@H]2CCCC[C@@H]21 Cn1ncnc1[*:1] O=C1CN(C([O-])=N[*:1])[C@H]2CCCC[C@@H]2N1
CCC(CC)NC(=O)C(=O)Nc1ccc2c(c1)CCO2 CCC(CC)[*:1] O=C(Nc1ccc2OCCc2c1)C(=O)N[*:1]
C[C@](N)(C(=O)Nc1ccccc1-n1cncn1)C(F)(F)F c1ncn(n1)[*:1] C[C@](N)(C(=O)Nc1ccccc1[*:1])C(F)(F)F
C[C@](N)(C(=O)Nc1ccccc1-n1cncn1)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(C(=O)Nc1ccccc1-n1cncn1)[*:1]
C=CCc1cc([C@@H]([NH3+])CC)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] C=CCc1cc(ccc1OC[*:1])[C@@H]([NH3+])CC
C=CCc1cc([C@@H]([NH3+])CC)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] C=CCc1cc(ccc1O[*:1])[C@@H]([NH3+])CC
C=CCc1cc([C@@H]([NH3+])CC)ccc1OCc1ccccc1 C=CC[*:1] CC[C@H]([NH3+])c1ccc(OCc2ccccc2)c(c1)[*:1]
CCN(CC)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C CC(C)(C)[*:1] CCN(CC)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
Cc1n[nH]c(C)c1CCOC(=O)Cc1cccc2cccnc12 Cc1n[nH]c(C)c1[*:1] O=C(Cc1cccc2cccnc12)OCC[*:1]
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1cccnc1-n1cncn1 c1ncn(n1)[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Nc1cccnc1[*:1]
CCCc1cc([C@H]2CCCN2C(=O)Nc2cc(C)ccc2OC)no1 CCCc1cc(no1)[*:1] COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1[*:1]
CCCc1cc([C@H]2CCCN2C(=O)Nc2cc(C)ccc2OC)no1 CCC[*:1] COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1c1cc(on1)[*:1]
OC[C@]1(OCCCl)OC[C@@H](O)[C@@H](O)[C@@H]1O ClCC[*:1] OC[C@@]1(OC[C@@H](O)[C@@H](O)[C@@H]1O)O[*:1]
OC[C@]1(OCCCl)OC[C@@H](O)[C@@H](O)[C@@H]1O ClCCO[*:1] OC[C@@]1(OC[C@@H](O)[C@@H](O)[C@@H]1O)[*:1]
CC[C@H](CNC(=O)N1CCC(CO)CC1)Oc1ccccc1Cl Clc1ccccc1[*:1] CC[C@H](CNC(=O)N1CCC(CO)CC1)O[*:1]
Fc1ccccc1[C@@H](NCCc1nnc2n1CCCCC2)C1CCCC1 C1CCC(C1)[*:1] Fc1ccccc1[C@@H](NCCc1nnc2CCCCCn21)[*:1]
Fc1ccccc1[C@@H](NCCc1nnc2n1CCCCC2)C1CCCC1 Fc1ccccc1[*:1] C1CCc2nnc(CCN[C@@H](C3CCCC3)[*:1])n2CC1
Cc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1C O=[N+]([O-])[*:1] Cc1cccc(c1C)N1C(=O)N(c2cccc(c2)[*:1])[C@@H]2CS(=O)(=O)C[C@H]21
Cc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1C O=[N+]([O-])c1cccc(c1)[*:1] Cc1cccc(c1C)N1C(=O)N([C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
Cc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1C Cc1cccc(c1C)[*:1] O=C1N(c2cccc(c2)[N+](=O)[O-])[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CCOc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C)c(NC(C)=O)c1 CCO[*:1] CC(=O)Nc1cc(ccc1C)NC(=S)NC(=O)c1cc(Br)ccc1[*:1]
CCOc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C)c(NC(C)=O)c1 CC(=O)N[*:1] CCOc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C)c(c1)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1cccs1 c1csc(c1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)C=C[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1cccs1 C(=C[*:1])c1cccs1 CCc1nc2[C@@H](CCCn2n1)NC(=O)[*:1]
O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc2c(=O)n(c(=O)[nH]c2c1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCN(CC1)[*:1]
O=C(Nc1ccc(F)cc1Cl)c1ccn(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] O=C(Nc1ccc(F)cc1Cl)c1ccn(n1)[*:1]
COC(=O)CSCc1ccccc1Cl COC(=O)[*:1] Clc1ccccc1CSC[*:1]
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[N-]S(=O)(=O)c1ccc(cc1Cl)[*:1]
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(c(Cl)c1)S(=O)(=O)[N-][*:1]
Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C(C)(C)C)nc21 Cc1ccccc1OC[*:1] Cc1nc(CN(C)C(=O)C(C)(C)C)nc2c1CCC(=O)N2C[*:1]
Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C(C)(C)C)nc21 Cc1ccccc1[*:1] Cc1nc(CN(C)C(=O)C(C)(C)C)nc2c1CCC(=O)N2CCO[*:1]
Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C(C)(C)C)nc21 CN(C(=O)C(C)(C)C)[*:1] Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(C[*:1])nc21
Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C(C)(C)C)nc21 Cc1ccccc1OCC[*:1] Cc1nc(CN(C)C(=O)C(C)(C)C)nc2c1CCC(=O)N2[*:1]
Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C(C)(C)C)nc21 Cc1ccccc1O[*:1] Cc1nc(CN(C)C(=O)C(C)(C)C)nc2c1CCC(=O)N2CC[*:1]
Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C(C)(C)C)nc21 CC(C)(C)[*:1] Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)[*:1])nc21
Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C(C)(C)C)nc21 CN(C[*:1])C(=O)C(C)(C)C Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(nc21)[*:1]
CC(=O)C(C)(C)C[NH+](C)CCc1cccs1 CC(=O)[*:1] C[NH+](CCc1cccs1)CC(C)(C)[*:1]
CC(=O)C(C)(C)C[NH+](C)CCc1cccs1 c1csc(c1)[*:1] CC(=O)C(C)(C)C[NH+](C)CC[*:1]
CC(C)(C)C(=O)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 c1coc(c1)[*:1] CC(C)(C)C(=O)n1nc(nc1NCc1cccc(Br)c1)[*:1]
CC(C)(C)C(=O)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 Brc1cccc(c1)C[*:1] CC(C)(C)C(=O)n1nc(nc1N[*:1])-c1ccco1
CC(C)(C)C(=O)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 Brc1cccc(c1)[*:1] CC(C)(C)C(=O)n1nc(nc1NC[*:1])-c1ccco1
CC(C)(C)C(=O)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 CC(C)(C)[*:1] O=C(n1nc(nc1NCc1cccc(Br)c1)-c1ccco1)[*:1]
Cc1cc(CNC(=O)[C@H]2CCCO2)c2[nH]c(-c3ccccc3)c(C)c2c1 c1ccc(cc1)[*:1] Cc1cc(CNC(=O)[C@H]2CCCO2)c2[nH]c(c(C)c2c1)[*:1]
NC(=O)NC(=O)CSc1nnnn1C1CCCCC1 C1CCC(CC1)[*:1] NC(=O)NC(=O)CSc1nnnn1[*:1]
NC(=O)NC(=O)CSc1nnnn1C1CCCCC1 NC(=O)NC(=O)[*:1] C1CCC(CC1)n1nnnc1SC[*:1]
N#CCc1ccc(NC(=O)[C@H]2CCCS2)cc1 N#CC[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCS1
Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CCOC1 CC(C)[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@@H]1CCOC1)[*:1]
Cc1[nH]c([C@H]2CC(=O)N(C(C)C)C2)[nH+]c1-c1cccs1 CC(C)[*:1] Cc1[nH]c([nH+]c1-c1cccs1)[C@H]1CC(=O)N(C1)[*:1]
Cc1[nH]c([C@H]2CC(=O)N(C(C)C)C2)[nH+]c1-c1cccs1 c1csc(c1)[*:1] Cc1[nH]c([nH+]c1[*:1])[C@H]1CC(=O)N(C1)C(C)C
Cn1nnnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C Cn1nnnc1[*:1] CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CS[*:1]
Cn1nnnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C Cn1nnnc1S[*:1] CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)C[*:1]
Cn1nnnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C CC(C)(C)[*:1] Cn1nnnc1SCC(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(OC)c(O)c(OC)c2)cc1 CCc1ccc(cc1)[*:1] COc1cc(cc(OC)c1O)[C@@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)[*:1]
COc1ccc(N(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)S(=O)(=O)c2c(C)nn(C)c2C)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[*:1]
COc1ccc(N(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)S(=O)(=O)c2c(C)nn(C)c2C)cc1 Cc1nn(C)c(C)c1[*:1] COc1ccc(cc1)N(CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)S(=O)(=O)[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc2c1OCCO2 N#CC[*:1] C[C@@H](Sc1ccccc1NC(=O)c1cccc2OCCOc21)[*:1]
O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F FC(F)[*:1] O=S(=O)(Nc1ccc(cc1)O[*:1])c1ccccc1C(F)(F)F
O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=S(=O)(Nc1ccc(cc1)OC(F)F)c1ccccc1[*:1]
O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F FC(F)O[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccccc1C(F)(F)F
O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] O=C(Nc1cnn(c1)Cc1ccccc1)[C@H]1CC(=NO1)[*:1]
O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1CC(c2cccc(F)c2)=NO1 c1ccc(cc1)C[*:1] O=C(Nc1cnn(c1)[*:1])[C@H]1CC(=NO1)c1cccc(F)c1
O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1CC(c2cccc(F)c2)=NO1 c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)C[*:1])[C@H]1CC(=NO1)c1cccc(F)c1
COc1cccc(/C=C/C(=O)Nc2ccc(CN3CCCC3=O)cc2)c1 O=C1CCCN1C[*:1] COc1cccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])c1
COc1cccc(/C=C/C(=O)Nc2ccc(CN3CCCC3=O)cc2)c1 O=C1CCCN1[*:1] COc1cccc(/C=C/C(=O)Nc2ccc(cc2)C[*:1])c1
COc1cccc(/C=C/C(=O)Nc2ccc(CN3CCCC3=O)cc2)c1 COc1cccc(c1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)CN1CCCC1=O
CCCc1nc(N(C)Cc2ccnc(C)c2)c2cnn(C)c2n1 CCC[*:1] Cc1cc(ccn1)CN(C)c1nc(nc2c1cnn2C)[*:1]
CCCc1nc(N(C)Cc2ccnc(C)c2)c2cnn(C)c2n1 Cc1cc(ccn1)[*:1] CCCc1nc(c2cnn(C)c2n1)N(C)C[*:1]
CC(C)S(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)c1 CC(C)S(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1
CC(C)S(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)c1 c1cncc(c1)C[*:1] CC(C)S(=O)(=O)c1cccc(c1)C(=O)N(c1nc2c(F)cc(F)cc2s1)[*:1]
CC(C)S(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)c1 c1cncc(c1)[*:1] CC(C)S(=O)(=O)c1cccc(c1)C(=O)N(C[*:1])c1nc2c(F)cc(F)cc2s1
CC(C)S(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)c1 Fc1cc(F)c2nc(sc2c1)[*:1] CC(C)S(=O)(=O)c1cccc(c1)C(=O)N(Cc1cccnc1)[*:1]
CC(C)S(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)c1 CC(C)[*:1] O=C(c1cccc(c1)S(=O)(=O)[*:1])N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1
N#Cc1ccccc1-c1ccc(CSc2nnc(CN3CCCCCC3=O)n2-c2cccnc2)cc1 c1cncc(c1)[*:1] N#Cc1ccccc1-c1ccc(cc1)CSc1nnc(CN2CCCCCC2=O)n1[*:1]
N#Cc1ccccc1-c1ccc(CSc2nnc(CN3CCCCCC3=O)n2-c2cccnc2)cc1 O=C1CCCCCN1C[*:1] N#Cc1ccccc1-c1ccc(cc1)CSc1nnc(n1-c1cccnc1)[*:1]
N#Cc1ccccc1-c1ccc(CSc2nnc(CN3CCCCCC3=O)n2-c2cccnc2)cc1 O=C1CCCCCN1[*:1] N#Cc1ccccc1-c1ccc(cc1)CSc1nnc(C[*:1])n1-c1cccnc1
N#Cc1ccccc1-c1ccc(CSc2nnc(CN3CCCCCC3=O)n2-c2cccnc2)cc1 N#Cc1ccccc1[*:1] O=C1CCCCCN1Cc1nnc(SCc2ccc(cc2)[*:1])n1-c1cccnc1
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCc2ccccc2)cc1 O=C(c1ccccc1)[*:1] Cc1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1CCc1ccccc1)[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1CC[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1C[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CCc1ccccc1
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1[*:1])c1ccccc1
NC(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 O=C(c1cccs1)[*:1] NC(=O)CN1C(=O)COc2ccc(cc21)[*:1]
NC(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 NC(=O)C[*:1] O=C(c1ccc2OCC(=O)N(c2c1)[*:1])c1cccs1
NC(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 c1csc(c1)[*:1] NC(=O)CN1C(=O)COc2ccc(cc21)C(=O)[*:1]
NC(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 NC(=O)[*:1] O=C(c1ccc2OCC(=O)N(C[*:1])c2c1)c1cccs1
COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])S(=O)(=O)N1CCC[C@@H](C1)[NH+](C)C
CC1(C)C[C@@H]([C@@H]2N=C3C=NN(Cc4cccc(F)c4)[C@@H]3N2)CCO1 Fc1cccc(c1)[*:1] CC1(C)C[C@H](CCO1)[C@@H]1N=C2C=NN(C[*:1])[C@@H]2N1
CC1(C)C[C@@H]([C@@H]2N=C3C=NN(Cc4cccc(F)c4)[C@@H]3N2)CCO1 Fc1cccc(c1)C[*:1] CC1(C)C[C@H](CCO1)[C@@H]1N=C2C=NN([C@@H]2N1)[*:1]
CC1(C)C[C@@H]([C@@H]2N=C3C=NN(Cc4cccc(F)c4)[C@@H]3N2)CCO1 CC1(C)C[C@@H](CCO1)[*:1] Fc1cccc(c1)CN1N=CC2=N[C@H](N[C@H]21)[*:1]
Cn1c(C(=O)OCc2nncn2C2CC2)ccc1-c1ccccc1 c1nnc(n1C1CC1)[*:1] Cn1c(ccc1-c1ccccc1)C(=O)OC[*:1]
Cn1c(C(=O)OCc2nncn2C2CC2)ccc1-c1ccccc1 C1CC1[*:1] Cn1c(ccc1-c1ccccc1)C(=O)OCc1nncn1[*:1]
Cn1c(C(=O)OCc2nncn2C2CC2)ccc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(ccc1[*:1])C(=O)OCc1nncn1C1CC1
Cc1ccc(-c2nnn(CCCn3c(=O)c4c(ncn4C)n(C)c3=O)n2)cc1 Cc1ccc(cc1)[*:1] Cn1cnc2c1c(=O)n(CCCn1nnc(n1)[*:1])c(=O)n2C
COc1ccc([C@@H](NC[C@@H](O)c2ccncc2)C(C)C)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)[C@@H](NC[C@@H](O)[*:1])C(C)C
COc1ccc([C@@H](NC[C@@H](O)c2ccncc2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC[C@@H](O)c1ccncc1)[*:1]
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 CC(C)(C)[*:1] CC(C)[C@H](NC(=O)O[*:1])C(=O)NC1CCCC1
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[*:1]
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 CC(C)[*:1] CC(C)(C)OC(=O)N[C@H](C(=O)NC1CCCC1)[*:1]
COC(=O)C(C)(C)NC(=O)[C@@H](C[NH3+])CC(C)C COC(=O)[*:1] CC(C)C[C@H](C[NH3+])C(=O)NC(C)(C)[*:1]
COC(=O)C(C)(C)NC(=O)[C@@H](C[NH3+])CC(C)C CC(C)[*:1] COC(=O)C(C)(C)NC(=O)[C@@H](C[NH3+])C[*:1]
COC(=O)C(C)(C)NC(=O)[C@@H](C[NH3+])CC(C)C CC(C)C[*:1] COC(=O)C(C)(C)NC(=O)[C@@H](C[NH3+])[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nncn2-c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@H](C)Sc1nncn1[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nncn2-c2cccc(Cl)c2)cc1 CC(=O)N[*:1] C[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](NC(=O)C(=O)Nc1ccccc1-n1cccn1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)C(=O)Nc1ccccc1-n1cccn1)[*:1]
CC[C@H](NC(=O)C(=O)Nc1ccccc1-n1cccn1)c1ccc(C)cc1 c1cnn(c1)[*:1] CC[C@H](NC(=O)C(=O)Nc1ccccc1[*:1])c1ccc(C)cc1
Cc1cccc(-n2nnnc2SCc2nnnn2C2CC2)c1 Cc1cccc(c1)[*:1] C(Sc1nnnn1[*:1])c1nnnn1C1CC1
Cc1cccc(-n2nnnc2SCc2nnnn2C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)-n1nnnc1SCc1nnnn1[*:1]
O=C1Nc2cc(S(=O)(=O)Nc3cccc4c3CCCC4)ccc2SC[C@H]1CC(=O)N1CCCC1 c1cc2CCCCc2c(c1)[*:1] O=C1Nc2cc(ccc2SC[C@H]1CC(=O)N1CCCC1)S(=O)(=O)N[*:1]
O=C1Nc2cc(S(=O)(=O)Nc3cccc4c3CCCC4)ccc2SC[C@H]1CC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C1Nc2cc(ccc2SC[C@H]1C[*:1])S(=O)(=O)Nc1cccc2CCCCc21
O=C1Nc2cc(S(=O)(=O)Nc3cccc4c3CCCC4)ccc2SC[C@H]1CC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C1Nc2cc(ccc2SC[C@@H]1[*:1])S(=O)(=O)Nc1cccc2CCCCc21
CC[C@@H]([NH2+]Cc1cccc(O)c1)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H]([NH2+]Cc1cccc(O)c1)[*:1]
CNC(=O)c1ccc(CNC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 CC(C)[*:1] CNC(=O)c1ccc(cc1)CNC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1[*:1]
CNC(=O)c1ccc(CNC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 CNC(=O)[*:1] CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NCc1ccc(cc1)[*:1]
CCCc1nc(CSCc2nc(-c3ccsc3)no2)no1 CCC[*:1] c1cc(cs1)-c1noc(CSCc2noc(n2)[*:1])n1
CCCc1nc(CSCc2nc(-c3ccsc3)no2)no1 c1cc(cs1)[*:1] CCCc1nc(CSCc2nc(no2)[*:1])no1
CC(C)=CC(=O)O[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C CC(C)=C[*:1] C[C@H](OC(=O)[*:1])C(=O)N1c2ccccc2NC(=O)C1(C)C
CC(C)=CC(=O)O[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C CC(C)=CC(=O)O[*:1] C[C@@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)[*:1]
Cc1cc(F)ccc1CCNC(=O)C[C@@H](C)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(F)ccc1CCNC(=O)C[C@@H](C)NC(=O)[*:1]
Cc1cc(F)ccc1CCNC(=O)C[C@@H](C)NC(=O)C1CCCCC1 Cc1cc(F)ccc1[*:1] C[C@H](CC(=O)NCC[*:1])NC(=O)C1CCCCC1
O=C(C=C1CCSCC1)Nc1ccccc1Oc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C(C=C1CCSCC1)Nc1ccccc1O[*:1]
COc1cc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(CN2CCO[C@@H](C2)c2ccc(F)c(F)c2)c(cc1OC)[*:1]
COc1cc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c([N+](=O)[O-])cc1OC Fc1ccc(cc1F)[*:1] COc1cc(CN2CCO[C@H](C2)[*:1])c(cc1OC)[N+](=O)[O-]
COCCn1ccc2ccc(NC(=O)C(=O)N3CC[C@H](C)[C@H](C)C3)cc21 COCC[*:1] C[C@H]1CCN(C[C@H]1C)C(=O)C(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)C(=O)N3CC[C@H](C)[C@H](C)C3)cc21 COC[*:1] C[C@H]1CCN(C[C@H]1C)C(=O)C(=O)Nc1ccc2ccn(C[*:1])c2c1
CCCNc1nc(C)cc(-c2ccc(C#N)s2)n1 CCCN[*:1] Cc1cc(nc(n1)[*:1])-c1ccc(C#N)s1
CCCNc1nc(C)cc(-c2ccc(C#N)s2)n1 CCC[*:1] Cc1cc(nc(n1)N[*:1])-c1ccc(C#N)s1
COc1ccccc1NC(=O)c1c(NC(=O)CN2CC[NH+](C)CC2)sc2c1CC[C@H](C)C2 COc1ccccc1[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)CN1CC[NH+](C)CC1)c2C(=O)N[*:1]
COC[C@@H](C)CC(=O)NC[C@@H](C)C[NH3+] COC[*:1] C[C@@H](C[NH3+])CNC(=O)C[C@H](C)[*:1]
CC[C@@](C)([N+](=O)[O-])[C@@](C)(CC)[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@](C)([N+](=O)[O-])[C@](C)(CC)[*:1]
COc1cccc(-c2nnc(SCC(=O)Nc3cccc(C#N)c3)n2-c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1nnc(SCC(=O)Nc2cccc(C#N)c2)n1[*:1]
COc1cccc(-c2nnc(SCC(=O)Nc3cccc(C#N)c3)n2-c2ccccc2)c1 N#Cc1cccc(c1)[*:1] COc1cccc(c1)-c1nnc(SCC(=O)N[*:1])n1-c1ccccc1
COc1cccc(-c2nnc(SCC(=O)Nc3cccc(C#N)c3)n2-c2ccccc2)c1 COc1cccc(c1)[*:1] N#Cc1cccc(c1)NC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
CC1=C(C(C)C)[NH+]=C2N=NNN2[C@@H]1c1ccc(Br)cc1 CC(C)[*:1] CC1=C([NH+]=C2N=NNN2[C@@H]1c1ccc(Br)cc1)[*:1]
CC(C)(NC(=O)c1cn(Cc2cccnc2)nn1)c1ccc(F)cc1 c1cncc(c1)[*:1] CC(C)(NC(=O)c1cn(C[*:1])nn1)c1ccc(F)cc1
CC(C)(NC(=O)c1cn(Cc2cccnc2)nn1)c1ccc(F)cc1 c1cncc(c1)C[*:1] CC(C)(NC(=O)c1cn(nn1)[*:1])c1ccc(F)cc1
CC(C)(NC(=O)c1cn(Cc2cccnc2)nn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(NC(=O)c1cn(Cc2cccnc2)nn1)[*:1]
CC(C)CNC(=O)[C@H](C)Oc1ccc(-n2cnnn2)cc1 CC(C)[*:1] C[C@H](Oc1ccc(cc1)-n1cnnn1)C(=O)NC[*:1]
CC(C)CNC(=O)[C@H](C)Oc1ccc(-n2cnnn2)cc1 CC(C)C[*:1] C[C@H](Oc1ccc(cc1)-n1cnnn1)C(=O)N[*:1]
CC(C)CNC(=O)[C@H](C)Oc1ccc(-n2cnnn2)cc1 CC(C)CNC(=O)[*:1] C[C@H](Oc1ccc(cc1)-n1cnnn1)[*:1]
CC(C)CNC(=O)[C@H](C)Oc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] CC(C)CNC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
CC(C)(C)[C@@H](c1ccc(Br)cc1)[C@@H](NC(=O)[O-])C(=O)NO Brc1ccc(cc1)[*:1] CC(C)(C)[C@@H]([C@@H](NC(=O)[O-])C(=O)NO)[*:1]
CC(C)(C)[C@@H](c1ccc(Br)cc1)[C@@H](NC(=O)[O-])C(=O)NO CC(C)(C)[*:1] O=C([O-])N[C@@H](C(=O)NO)[C@H](c1ccc(Br)cc1)[*:1]
CC(C)(C)[C@@H](c1ccc(Br)cc1)[C@@H](NC(=O)[O-])C(=O)NO O=C(NO)[*:1] CC(C)(C)[C@@H](c1ccc(Br)cc1)[C@@H](NC(=O)[O-])[*:1]
CC(C)(C)[C@@H](c1ccc(Br)cc1)[C@@H](NC(=O)[O-])C(=O)NO O=C([O-])N[*:1] CC(C)(C)[C@@H](c1ccc(Br)cc1)[C@@H](C(=O)NO)[*:1]
Cn1cc(/C=C/C(=O)NNC(=O)[C@@H]2CCCO2)c2ccccc21 C1CO[C@@H](C1)[*:1] Cn1cc(/C=C/C(=O)NNC(=O)[*:1])c2ccccc21
CCCn1ncnc1CN1C[C@@H](C)[C@H](C(=O)OC)C1 COC(=O)[*:1] CCCn1ncnc1CN1C[C@@H](C)[C@H](C1)[*:1]
CCCn1ncnc1CN1C[C@@H](C)[C@H](C(=O)OC)C1 CCC[*:1] COC(=O)[C@@H]1CN(Cc2ncnn2[*:1])C[C@H]1C
CC(C)CCC[NH2+][C@@H]1CCCS[C@H]1C CC(C)C[*:1] C[C@@H]1SCCC[C@H]1[NH2+]CC[*:1]
CC(C)CCC[NH2+][C@@H]1CCCS[C@H]1C CC(C)[*:1] C[C@@H]1SCCC[C@H]1[NH2+]CCC[*:1]
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(-n2ccnn2)cc1 c1ccc(cc1)[*:1] C[C@H]1[C@@H](CCN1C(=O)c1ccc(cc1)-n1ccnn1)[*:1]
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] C[C@H]1[C@H](CCN1C(=O)c1ccc(cc1)[*:1])c1ccccc1
Cn1cc(CN[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 C1CN(CCO1)[*:1] Cn1cc(cn1)CN[C@H]1CC(C)(C)Cc2nc(ncc21)[*:1]
Cn1cc(CN[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 Cn1cc(cn1)C[*:1] CC1(C)Cc2nc(ncc2[C@H](C1)N[*:1])N1CCOCC1
Cn1cc(CN[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 Cn1cc(cn1)CN[*:1] CC1(C)Cc2nc(ncc2[C@H](C1)[*:1])N1CCOCC1
Cn1cc(CN[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 Cn1cc(cn1)[*:1] CC1(C)Cc2nc(ncc2[C@H](C1)NC[*:1])N1CCOCC1
CCC[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)c1ccc(F)cn1 CCC[*:1] Fc1ccc(nc1)[C@H](Cc1cc(Cl)ccc1Cl)[NH2+][*:1]
CCC[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] CCC[NH2+][C@@H](Cc1cc(Cl)ccc1Cl)[*:1]
C[C@H]1CCc2c(C(=O)NCCCc3ccccc3)csc2C1 c1ccc(cc1)C[*:1] C[C@H]1CCc2c(csc2C1)C(=O)NCC[*:1]
C[C@H]1CCc2c(C(=O)NCCCc3ccccc3)csc2C1 c1ccc(cc1)[*:1] C[C@H]1CCc2c(csc2C1)C(=O)NCCC[*:1]
Cn1cc([C@H]2CN(C(=O)Nc3ccnn3Cc3ccccn3)CCO2)cn1 Cn1cc(cn1)[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CCO[C@H](C1)[*:1]
Cn1cc([C@H]2CN(C(=O)Nc3ccnn3Cc3ccccn3)CCO2)cn1 c1ccc(nc1)[*:1] Cn1cc(cn1)[C@H]1CN(CCO1)C(=O)Nc1ccnn1C[*:1]
Cn1cc([C@H]2CN(C(=O)Nc3ccnn3Cc3ccccn3)CCO2)cn1 c1ccc(C[*:1])nc1 Cn1cc(cn1)[C@H]1CN(CCO1)C(=O)Nc1ccnn1[*:1]
FC(F)(F)c1cccc(OCC2(CS)CCOCC2)c1 FC(F)(F)[*:1] SCC1(CCOCC1)COc1cccc(c1)[*:1]
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C([NH3+])[N-]C2=NC(SCc3cccc(F)c3)=NC(=O)[C@@H]21 Fc1cccc(c1)[*:1] Cc1ccc2NC(=O)[C@]3(C(C#N)=C([NH3+])[N-]C4=NC(=NC(=O)[C@@H]43)SC[*:1])c2c1
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C([NH3+])[N-]C2=NC(SCc3cccc(F)c3)=NC(=O)[C@@H]21 Fc1cccc(c1)C[*:1] Cc1ccc2NC(=O)[C@]3(C(C#N)=C([NH3+])[N-]C4=NC(=NC(=O)[C@@H]43)S[*:1])c2c1
CCOCC(=O)Nc1cnn(-c2ccccc2F)c1 CCOC[*:1] O=C(Nc1cnn(c1)-c1ccccc1F)[*:1]
CCOCC(=O)Nc1cnn(-c2ccccc2F)c1 CCO[*:1] O=C(C[*:1])Nc1cnn(c1)-c1ccccc1F
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cnc2c(C)cccn12 COC(=O)[*:1] Cc1cccn2c(cnc12)CN1C[C@H](O)C[C@H]1[*:1]
CCSC[C@H](C)N(C)C(=O)Cn1cnc2c(cnn2C)c1=O CCSC[*:1] C[C@H](N(C)C(=O)Cn1cnc2c(cnn2C)c1=O)[*:1]
CCSC[C@H](C)N(C)C(=O)Cn1cnc2c(cnn2C)c1=O CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)Cn1cnc2c(cnn2C)c1=O
Cc1ccc(-c2nc(CNc3ncnc4[nH]cnc34)co2)cc1 Cc1ccc(cc1)[*:1] c1nc(NCc2coc(n2)[*:1])c2nc[nH]c2n1
COC(=O)NCCCC(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] COC(=O)NCCCC(=O)Nc1cnc(s1)[*:1]
COC(=O)NCCCC(=O)Nc1cnc(-c2ccccc2)s1 COC(=O)NCC[*:1] O=C(C[*:1])Nc1cnc(s1)-c1ccccc1
COC(=O)NCCCC(=O)Nc1cnc(-c2ccccc2)s1 COC(=O)NC[*:1] O=C(CC[*:1])Nc1cnc(s1)-c1ccccc1
COC(=O)NCCCC(=O)Nc1cnc(-c2ccccc2)s1 COC(=O)N[*:1] O=C(CCC[*:1])Nc1cnc(s1)-c1ccccc1
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1ccco1 c1coc(c1)[*:1] CN(C)c1ccc(cc1NC(=O)C=C[*:1])S(=O)(=O)N(C)C
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1ccco1 CN(C)S(=O)(=O)[*:1] CN(C)c1ccc(cc1NC(=O)/C=C/c1ccco1)[*:1]
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1ccco1 CN(C)[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)NC(=O)/C=C/c1ccco1)[*:1]
CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1ccco1 C(=C[*:1])c1ccco1 CN(C)c1ccc(cc1NC(=O)[*:1])S(=O)(=O)N(C)C
CC(=O)c1ccccc1OC(F)(F)[C@H](F)Cl CC(=O)[*:1] F[C@H](Cl)C(F)(F)Oc1ccccc1[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CC(OCc3ccccc3F)C2)cc1 CC(=O)N[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CC(C1)OCc1ccccc1F
CC(=O)Nc1ccc(S(=O)(=O)N2CC(OCc3ccccc3F)C2)cc1 Fc1ccccc1C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC(C1)O[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CC(OCc3ccccc3F)C2)cc1 Fc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC(C1)OC[*:1]
CCc1ccc(C2=CCN(C(=O)c3ccc(C(C)=O)cc3)CC2)cc1 CC(=O)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCc1ccc(C2=CCN(C(=O)c3ccc(C(C)=O)cc3)CC2)cc1 CCc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)C(=O)N1CC=C(CC1)[*:1]
CC(C)CCNC(=O)N(CCCO)[C@H]1CCc2ccccc21 OCC[*:1] CC(C)CCNC(=O)N(C[*:1])[C@H]1CCc2ccccc21
CC(C)CCNC(=O)N(CCCO)[C@H]1CCc2ccccc21 CC(C)C[*:1] O=C(NC[*:1])N(CCCO)[C@H]1CCc2ccccc21
CC(C)CCNC(=O)N(CCCO)[C@H]1CCc2ccccc21 CC(C)CC[*:1] O=C(N[*:1])N(CCCO)[C@H]1CCc2ccccc21
CC(C)CCNC(=O)N(CCCO)[C@H]1CCc2ccccc21 CC(C)[*:1] O=C(NCC[*:1])N(CCCO)[C@H]1CCc2ccccc21
CC(C)CCNC(=O)N(CCCO)[C@H]1CCc2ccccc21 OCCC[*:1] CC(C)CCNC(=O)N([C@H]1CCc2ccccc21)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(cc1)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 COc1cccc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(cc2)[N+](=O)[O-])N1c1nccs1
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 COc1cccc(c1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2ccc(cc2)[N+](=O)[O-])N1c1nccs1)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 c1csc(n1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@@H](Cc1nc2ccccc2s1)Sc1nnc(-c2ccco2)n1C c1coc(c1)[*:1] C[C@@H](Cc1nc2ccccc2s1)Sc1nnc(n1C)[*:1]
Cc1csc(Sc2cncc(C(=O)[O-])n2)n1 O=C([O-])[*:1] Cc1csc(n1)Sc1cncc(n1)[*:1]
Cc1ccc2c(CCNC(=O)NC[C@H](C)C[C@H](C)O)c[nH]c2c1 C[C@H](O)[*:1] Cc1ccc2c(c[nH]c2c1)CCNC(=O)NC[C@H](C)C[*:1]
Cc1ccc2c(CCNC(=O)NC[C@H](C)C[C@H](C)O)c[nH]c2c1 C[C@H](O)C[*:1] Cc1ccc2c(c[nH]c2c1)CCNC(=O)NC[C@H](C)[*:1]
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NC2CCCC2)C3)cc1 Cc1ccc(cc1)[*:1] C[C@@]1(Cn2cnc(C(=O)NC[*:1])c2C(=O)N1C1CC1)C(=O)NC1CCCC1
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NC2CCCC2)C3)cc1 Cc1ccc(cc1)C[*:1] C[C@@]1(Cn2cnc(C(=O)N[*:1])c2C(=O)N1C1CC1)C(=O)NC1CCCC1
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NC2CCCC2)C3)cc1 Cc1ccc(cc1)CNC(=O)[*:1] C[C@@]1(Cn2cnc(c2C(=O)N1C1CC1)[*:1])C(=O)NC1CCCC1
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NC2CCCC2)C3)cc1 C1CC1[*:1] Cc1ccc(cc1)CNC(=O)c1ncn2C[C@](C)(C(=O)NC3CCCC3)N(C(=O)c12)[*:1]
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NC2CCCC2)C3)cc1 O=C(NC1CCCC1)[*:1] Cc1ccc(cc1)CNC(=O)c1ncn2C[C@](C)(N(C(=O)c12)C1CC1)[*:1]
Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NC2CCCC2)C3)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)CNC(=O)c1ncn2C[C@](C)(C(=O)N[*:1])N(C(=O)c12)C1CC1
CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](CC)c1ccccc1 c1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](CC)[*:1]
Cc1c(Cl)ccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCCN21 c1ccc2cc(ccc2c1)[*:1] Cc1c(Cl)ccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2CCCN21)[*:1]
CCCn1cc[nH+]c1Cc1ccc([C@H](CC)[NH2+]C)cc1 CCC[*:1] CC[C@H]([NH2+]C)c1ccc(cc1)Cc1[nH+]ccn1[*:1]
C[C@H](NC(=O)NCC(C)(C)C(N)=O)C(=O)N1CCCCC1 CC(C)(C[*:1])C(N)=O C[C@H](NC(=O)N[*:1])C(=O)N1CCCCC1
C[C@H](NC(=O)NCC(C)(C)C(N)=O)C(=O)N1CCCCC1 CC(C)(C(N)=O)[*:1] C[C@H](NC(=O)NC[*:1])C(=O)N1CCCCC1
C[C@H](NC(=O)NCC(C)(C)C(N)=O)C(=O)N1CCCCC1 NC(=O)[*:1] C[C@H](NC(=O)NCC(C)(C)[*:1])C(=O)N1CCCCC1
COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(CC1)[*:1]
COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(c2cnccn2)CC1 COc1ccc(C)cc1[*:1] O=C(NCC1CCN(CC1)c1cnccn1)C(=O)N[*:1]
CC(C)OC(=O)[C@H](C)N(C)Cc1ccc([S@](C)=O)cc1 CC(C)[*:1] C[C@@H](C(=O)O[*:1])N(C)Cc1ccc(cc1)[S@](C)=O
CC(C)OC(=O)[C@H](C)N(C)Cc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CC(C)OC(=O)[C@H](C)N(C)Cc1ccc(cc1)[*:1]
CC(C)OC(=O)[C@H](C)N(C)Cc1ccc([S@](C)=O)cc1 CC(C)OC(=O)[*:1] C[C@H](N(C)Cc1ccc(cc1)[S@](C)=O)[*:1]
Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)o1 c1ccc(cc1)[*:1] Cc1onc(c1-c1nnc(CN2CCN(CC2)S(=O)(=O)N2CCCCCC2)o1)[*:1]
Cc1ccc2cc(C(=O)NNc3ncccn3)c(C)nc2c1 c1cnc(nc1)[*:1] Cc1ccc2cc(C(=O)NN[*:1])c(C)nc2c1
CC(C)CNC(=O)CNC(=O)N1CCC(c2nc3ccccc3s2)CC1 CC(C)C[*:1] O=C(CNC(=O)N1CCC(CC1)c1nc2ccccc2s1)N[*:1]
CC(C)CNC(=O)CNC(=O)N1CCC(c2nc3ccccc3s2)CC1 CC(C)CNC(=O)C[*:1] O=C(N[*:1])N1CCC(CC1)c1nc2ccccc2s1
CC(C)CNC(=O)CNC(=O)N1CCC(c2nc3ccccc3s2)CC1 CC(C)[*:1] O=C(CNC(=O)N1CCC(CC1)c1nc2ccccc2s1)NC[*:1]
CC(C)CNC(=O)CNC(=O)N1CCC(c2nc3ccccc3s2)CC1 CC(C)CNC(=O)[*:1] O=C(NC[*:1])N1CCC(CC1)c1nc2ccccc2s1
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 O=C(c1cccnc1)[*:1] CN1C[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H]([C@]12C(=O)Nc1ccccc12)[*:1]
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 O=[N+]([O-])c1ccc(cc1)[*:1] CN1C[C@H]([C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12)[*:1]
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 c1cncc(c1)[*:1] CN1C[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](C(=O)[*:1])[C@]12C(=O)Nc1ccccc12
CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 O=[N+]([O-])[*:1] CN1C[C@H](c2ccc(cc2)[*:1])[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12
COC(=O)Nc1ccc(N[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1C[*:1] COC(=O)Nc1ccc(cc1)N[C@@H](C)C(=O)N[*:1]
COC(=O)Nc1ccc(N[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COC(=O)Nc1ccc(cc1)N[C@@H](C)C(=O)NC[*:1]
COC(=O)Nc1ccc(N[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 COC(=O)N[*:1] C[C@H](Nc1ccc(cc1)[*:1])C(=O)NCc1ccccc1Cl
CC1(C)CCN(C(=O)N[C@H]2COC[C@@]2(C)C(=O)[O-])C1 O=C([O-])[*:1] CC1(C)CCN(C1)C(=O)N[C@H]1COC[C@]1(C)[*:1]
C[C@H]1CC(C(=O)NCc2ccc(CN3CCc4ccccc43)cc2)C[C@H](C)O1 c1ccc2c(c1)CCN2[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1ccc(cc1)C[*:1]
CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)[C@H]1CC(=O)N(C1)c1ccc(C)cc1)[*:1]
CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)C1CCCC1 Cc1ccc(cc1)[*:1] CCN(C(=O)[C@H]1CC(=O)N(C1)[*:1])C1CCCC1
Cc1cccnc1CNC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C Cc1cccnc1[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)NC[*:1]
Cc1cccnc1CNC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C CC(C)(C)[*:1] Cc1cccnc1CNC(=O)N1C[C@H](C)N(C[C@@H]1C)C(=O)O[*:1]
Cc1cccnc1CNC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C Cc1cccnc1C[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)N[*:1]
CCOC(=O)N1CCN(C(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)CC1 FC(F)(F)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cnn2c1N[C@@H](C[C@@H]2[*:1])c1ccco1
CCOC(=O)N1CCN(C(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)CC1 c1coc(c1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)[*:1]
Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2c(C)nn3cccnc23)n1 Cc1cc(C)n(n1)[*:1] Cc1nn2cccnc2c1C(=O)N1CCC[C@H]1C[*:1]
Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2c(C)nn3cccnc23)n1 Cc1cc(C)n(C[*:1])n1 Cc1nn2cccnc2c1C(=O)N1CCC[C@H]1[*:1]
Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c1 Cc1cccc(c1)[*:1] CN1C(=O)c2cc(ccc2Oc2ccccc21)NC(=O)N[*:1]
NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc2C(=O)O[C@@H](Cc2c1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc2C(=O)O[C@H](Cc2c1)c1ccccc1
NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2C(=O)O[C@H](Cc2c1)c1ccccc1
COCc1cccc(NC(=O)NCc2cc(Br)ccc2F)c1 COC[*:1] O=C(NCc1cc(Br)ccc1F)Nc1cccc(c1)[*:1]
CC[C@@H](C)n1cc(/C=C2\NC(=O)N=C2[O-])c2ccccc21 CC[C@@H](C)[*:1] O=C1N=C([O-])/C(=C/c2cn(c3ccccc23)[*:1])N1
C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)[C@@H]2CCS(=O)(=O)C2)c1=S Clc1ccc(cc1)[*:1] C=CCn1c(nn(CN(C)[C@@H]2CCS(=O)(=O)C2)c1=S)[*:1]
C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)[C@@H]2CCS(=O)(=O)C2)c1=S C=CC[*:1] CN(Cn1nc(-c2ccc(Cl)cc2)n(c1=S)[*:1])[C@@H]1CCS(=O)(=O)C1
C[C@H](C(=O)N(C)CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)N(C)CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)[*:1]
COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 O=C1c2ccccc2C(=O)N1C[*:1] COc1ccc(cc1C(=O)N1CCN(CC1)C(=O)Nc1ccccc1)[*:1]
COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc(cc1C(=O)N1CCN(CC1)C(=O)N[*:1])CN1C(=O)c2ccccc2C1=O
COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 O=C1c2ccccc2C(=O)N1[*:1] COc1ccc(cc1C(=O)N1CCN(CC1)C(=O)Nc1ccccc1)C[*:1]
Cc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(=O)(=O)c2ccc(F)cc2)cc1 CS(=O)(=O)Nc1cccc(c1)[*:1] Cc1ccc(cc1)[C@@H]1CC(=NN1S(=O)(=O)c1ccc(F)cc1)[*:1]
Cc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(=O)(=O)c2ccc(F)cc2)cc1 CS(=O)(=O)N[*:1] Cc1ccc(cc1)[C@@H]1CC(=NN1S(=O)(=O)c1ccc(F)cc1)c1cccc(c1)[*:1]
Cc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(=O)(=O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)Nc1cccc(c1)C1C[C@H](N(N=1)S(=O)(=O)c1ccc(F)cc1)[*:1]
Cc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1CC(=NN1S(=O)(=O)[*:1])c1cccc(c1)NS(C)(=O)=O
CCCOC(=O)C(C(F)(F)F)C(F)(F)F CCC[*:1] O=C(O[*:1])C(C(F)(F)F)C(F)(F)F
CCCOC(=O)C(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] CCCOC(=O)C(C(F)(F)F)[*:1]
Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccnn2C(C)(C)C)oc2ccccc12 CC(C)(C)n1nccc1[*:1] Cc1c(oc2ccccc12)[C@@H](C)NC(=O)C(=O)N[*:1]
Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccnn2C(C)(C)C)oc2ccccc12 CC(C)(C)[*:1] Cc1c(oc2ccccc12)[C@@H](C)NC(=O)C(=O)Nc1ccnn1[*:1]
O=c1oc(-c2ccc([N+](=O)[O-])cc2)nc2ccc(O)cc12 O=[N+]([O-])[*:1] O=c1oc(nc2ccc(O)cc12)-c1ccc(cc1)[*:1]
COCCS(=O)(=O)Cc1c(C(=O)[O-])oc2ccccc12 COC[*:1] O=C([O-])c1oc2ccccc2c1CS(=O)(=O)C[*:1]
COCCS(=O)(=O)Cc1c(C(=O)[O-])oc2ccccc12 O=C([O-])[*:1] COCCS(=O)(=O)Cc1c(oc2ccccc12)[*:1]
COCCS(=O)(=O)Cc1c(C(=O)[O-])oc2ccccc12 COCC[*:1] O=C([O-])c1oc2ccccc2c1CS(=O)(=O)[*:1]
CC(=O)Nc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1 Cc1cc(ccc1Br)[*:1] CC(=O)Nc1ccc(cc1)OC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)cc1 CC(=O)N[*:1] Cc1cc(ccc1Br)N1C[C@H](CC1=O)C(=O)Oc1ccc(cc1)[*:1]
CS(=O)(=O)CCCNC(=O)Cc1csc(-c2cccs2)n1 CS(=O)(=O)CCC[*:1] O=C(Cc1csc(n1)-c1cccs1)N[*:1]
CS(=O)(=O)CCCNC(=O)Cc1csc(-c2cccs2)n1 CS(=O)(=O)C[*:1] O=C(Cc1csc(n1)-c1cccs1)NCC[*:1]
CS(=O)(=O)CCCNC(=O)Cc1csc(-c2cccs2)n1 c1csc(c1)[*:1] CS(=O)(=O)CCCNC(=O)Cc1csc(n1)[*:1]
CS(=O)(=O)CCCNC(=O)Cc1csc(-c2cccs2)n1 CS(=O)(=O)[*:1] O=C(Cc1csc(n1)-c1cccs1)NCCC[*:1]
CS(=O)(=O)CCCNC(=O)Cc1csc(-c2cccs2)n1 CS(=O)(=O)CC[*:1] O=C(Cc1csc(n1)-c1cccs1)NC[*:1]
CC[C@H](C/C(N)=N/O)NC(=O)C1(CC(C)C)CCCC1 N/C(=N\O)[*:1] CC[C@H](C[*:1])NC(=O)C1(CCCC1)CC(C)C
CC[C@H](C/C(N)=N/O)NC(=O)C1(CC(C)C)CCCC1 CC(C)C[*:1] CC[C@H](C/C(N)=N/O)NC(=O)C1(CCCC1)[*:1]
CC[C@H](C/C(N)=N/O)NC(=O)C1(CC(C)C)CCCC1 CC(C)[*:1] CC[C@H](C/C(N)=N/O)NC(=O)C1(CCCC1)C[*:1]
CC[C@H](C/C(N)=N/O)NC(=O)C1(CC(C)C)CCCC1 N/C(C[*:1])=N\O CC[C@H](NC(=O)C1(CCCC1)CC(C)C)[*:1]
CN(Cc1ccccc1)S(=O)(=O)CCn1cnc2ccccc2c1=O c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)CCn1cnc2ccccc2c1=O
CN(Cc1ccccc1)S(=O)(=O)CCn1cnc2ccccc2c1=O c1ccc(cc1)C[*:1] CN(S(=O)(=O)CCn1cnc2ccccc2c1=O)[*:1]
Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(CCc1ccco1)C(=O)O3 c1coc(c1)CC[*:1] Cc1nn(-c2ccc(F)cc2)c2nc3OC(=O)N(Cc3cc12)[*:1]
Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(CCc1ccco1)C(=O)O3 Fc1ccc(cc1)[*:1] Cc1nn(c2nc3OC(=O)N(CCc4ccco4)Cc3cc12)[*:1]
Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(CCc1ccco1)C(=O)O3 c1coc(c1)[*:1] Cc1nn(-c2ccc(F)cc2)c2nc3OC(=O)N(CC[*:1])Cc3cc12
Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(CCc1ccco1)C(=O)O3 c1coc(c1)C[*:1] Cc1nn(-c2ccc(F)cc2)c2nc3OC(=O)N(Cc3cc12)C[*:1]
CCC[NH2+][C@@H]([C@H](C)CC)C(C)(C)N1CCOCC1 CC[C@@H](C)[*:1] CCC[NH2+][C@@H](C(C)(C)N1CCOCC1)[*:1]
CCC[NH2+][C@@H]([C@H](C)CC)C(C)(C)N1CCOCC1 CCC[*:1] CC[C@@H](C)[C@H]([NH2+][*:1])C(C)(C)N1CCOCC1
CCC[NH2+][C@@H]([C@H](C)CC)C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] CCC[NH2+][C@@H]([C@H](C)CC)C(C)(C)[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CSCc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] C[C@@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)CSC[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CSCc1nc2ccccc2s1 c1ncn(n1)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)CSCc1nc2ccccc2s1
Cc1cc(NC(=O)COc2ccc(Cl)cc2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 c1cc2OCOc2cc1[*:1] Cc1cc(NC(=O)COc2ccc(Cl)cc2)n(n1)-c1nc(cs1)[*:1]
Cc1cc(NC(=O)COc2ccc(Cl)cc2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 Clc1ccc(cc1)[*:1] Cc1cc(NC(=O)CO[*:1])n(n1)-c1nc(cs1)-c1ccc2OCOc2c1
Cc1cc(NC(=O)COc2ccc(Cl)cc2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 Clc1ccc(cc1)OC[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc(cs1)-c1ccc2OCOc2c1
Cc1cc(NC(=O)COc2ccc(Cl)cc2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 Clc1ccc(cc1)O[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1nc(cs1)-c1ccc2OCOc2c1
CCOc1ccc(CNC(=O)N2CC[C@H]([N+]3=CCCC3)C2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CNC(=O)N1CC[C@@H](C1)[N+]1=CCCC1
CCO[C@@H]1C[C@H](NC(=O)c2cn(C)nc2CC)C12CCC2 CCO[*:1] CCc1nn(C)cc1C(=O)N[C@H]1C[C@H](C12CCC2)[*:1]
Cc1cccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 Cc1cccc(n1)[*:1] O=C(NN=C[*:1])[C@H]1CCCN1S(=O)(=O)c1ccccc1
Cc1cccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)[*:1])n1
CCC[NH2+][C@@H](C1CC1)[C@@H]1CCOC2(CCOCC2)C1 C1CC1[*:1] CCC[NH2+][C@@H]([C@@H]1CCOC2(CCOCC2)C1)[*:1]
CCC[NH2+][C@@H](C1CC1)[C@@H]1CCOC2(CCOCC2)C1 CCC[*:1] C1CC2(CCO1)C[C@@H](CCO2)[C@@H]([NH2+][*:1])C1CC1
C=CCN(CC=C)C(=O)Cn1c(-c2cccs2)noc1=O c1csc(c1)[*:1] C=CCN(CC=C)C(=O)Cn1c(noc1=O)[*:1]
C=CCN(CC=C)C(=O)Cn1c(-c2cccs2)noc1=O C=CC[*:1] C=CCN(C(=O)Cn1c(noc1=O)-c1cccs1)[*:1]
CC(=O)Nc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 c1coc(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CN1c2ccccc2NC2CCCC(=O)C=2[C@@H]1[*:1]
CC(=O)Nc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(CN1c2ccccc2NC2CCCC(=O)C=2[C@H]1c1ccco1)N[*:1]
CC(=O)Nc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 CC(=O)N[*:1] O=C(CN1c2ccccc2NC2CCCC(=O)C=2[C@H]1c1ccco1)Nc1ccc(cc1)[*:1]
CCCOc1ccc(/C=N/Nc2cc[nH]c(=O)n2)cc1 CCC[*:1] O=c1nc(cc[nH]1)N/N=C/c1ccc(cc1)O[*:1]
CCCOc1ccc(/C=N/Nc2cc[nH]c(=O)n2)cc1 CCCO[*:1] O=c1nc(cc[nH]1)N/N=C/c1ccc(cc1)[*:1]
O=C(CCc1cccc(F)c1)C1CC1 C1CC1[*:1] O=C(CCc1cccc(F)c1)[*:1]
CCCn1nc(-c2ccco2)cc1C(=O)NCC[NH+]1CCCC1 c1coc(c1)[*:1] CCCn1nc(cc1C(=O)NCC[NH+]1CCCC1)[*:1]
CCCn1nc(-c2ccco2)cc1C(=O)NCC[NH+]1CCCC1 CCC[*:1] O=C(NCC[NH+]1CCCC1)c1cc(nn1[*:1])-c1ccco1
NC(=O)c1cc(NC(=O)c2cc(Cl)c3ccccc3c2O)ccc1F NC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1cc(Cl)c2ccccc2c1O
Cc1cc(C(=O)NCCCn2cccn2)c(C)n1C(C)C c1cnn(c1)CC[*:1] Cc1cc(C(=O)NC[*:1])c(C)n1C(C)C
Cc1cc(C(=O)NCCCn2cccn2)c(C)n1C(C)C c1cnn(c1)C[*:1] Cc1cc(C(=O)NCC[*:1])c(C)n1C(C)C
Cc1cc(C(=O)NCCCn2cccn2)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)NCCCn2cccn2)c(C)n1[*:1]
Cc1cc(C(=O)NCCCn2cccn2)c(C)n1C(C)C c1cnn(c1)[*:1] Cc1cc(C(=O)NCCC[*:1])c(C)n1C(C)C
O=C(Nc1cccc(F)c1)C1CCN(c2nc3ccccc3s2)CC1 Fc1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)c1nc2ccccc2s1
O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 Clc1ccccc1[*:1] O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC[C@@H]([NH+]1CCCC1)[*:1]
CC(C)C[C@H]1CCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C1 CC(C)C[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N1CC[C@@H](C1)[*:1]
CC(C)C[C@H]1CCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C1 CC(C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N1CC[C@@H](C1)C[*:1]
COc1ccc(Cc2nc(C)c(C[NH2+]C(C)(C)C)s2)cn1 CC(C)(C)[*:1] COc1ccc(cn1)Cc1nc(C)c(C[NH2+][*:1])s1
Cc1ncccc1NC(=O)N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] Cc1ncccc1NC(=O)N1CCC(CC1)[*:1]
Cc1noc(C)c1CC(=O)OCc1cc(=O)oc2cc(O)ccc12 Cc1noc(C)c1C[*:1] O=C(OCc1cc(=O)oc2cc(O)ccc12)[*:1]
Cc1noc(C)c1CC(=O)OCc1cc(=O)oc2cc(O)ccc12 Cc1noc(C)c1[*:1] O=C(C[*:1])OCc1cc(=O)oc2cc(O)ccc12
Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)c1 c1c(nc2SCCn12)[*:1] Cc1ccc(C)c(c1)O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(cc1)-c1cn2CCSc2n1
Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)c1 Cc1ccc(C)c(c1)O[*:1] C[C@H](C(=O)Nc1ccc(cc1)-c1cn2CCSc2n1)[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C3(C#N)CCCC3)cc2)C1 N#CC1(CCCC1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@@H](Cc1nc(-c2cnccn2)no1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1nc(no1)-c1cnccn1)[*:1]
C[C@@H](Cc1nc(-c2cnccn2)no1)c1ccccc1 c1cnc(cn1)[*:1] C[C@@H](Cc1nc(no1)[*:1])c1ccccc1
CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O CC(C)NC(=O)[*:1] CS(=O)(=O)N(CC(=O)Nc1ccccc1[*:1])c1ccccc1Cl
CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O CC(C)[*:1] CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N[*:1])c1ccccc1Cl
CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O Clc1ccccc1[*:1] CC(C)NC(=O)c1ccccc1NC(=O)CN(S(C)(=O)=O)[*:1]
C/[NH+]=C(/NC[C@@H](C)c1cccs1)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C c1csc(c1)[*:1] C/[NH+]=C(/NC[C@@H](C)[*:1])N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C
C/[NH+]=C(/NC[C@@H](C)c1cccs1)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C C[C@@H](c1cccs1)[*:1] C/[NH+]=C(/NC[*:1])N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C
CCNC(=O)c1cccc(CNC(=O)N2CCCC2(C)C)c1 CCNC(=O)[*:1] CC1(C)CCCN1C(=O)NCc1cccc(c1)[*:1]
Cc1nc(C(=O)N(C)[C@@H](C)C2CC2)nn1-c1c(Cl)cccc1Cl C1CC1[*:1] Cc1nc(nn1-c1c(Cl)cccc1Cl)C(=O)N(C)[C@@H](C)[*:1]
CC(C)CN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O CC(C)CN(C)C(=O)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc2ccccc2c1
CC(C)CN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O CC(C)[*:1] CN(C[*:1])C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc2ccccc2c1
CC(C)CN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O CC(C)CN(C)C(=O)C[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])c1ccc2ccccc2c1
CC(C)CN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O CC(C)C[*:1] CN(C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc2ccccc2c1)[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-n3cnnn3)c2)c1 CN(C)S(=O)(=O)[*:1] O=C(Nc1cccc(c1)-n1cnnn1)c1cc(ccc1Cl)[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-n3cnnn3)c2)c1 c1nnnn1[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1cccc(c1)[*:1]
O=C(c1ccccc1)[C@H]1Nc2ccccc2CO1 c1ccc(cc1)[*:1] O=C([C@H]1Nc2ccccc2CO1)[*:1]
CNC(=O)NC(=O)CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 CNC(=O)NC(=O)C[*:1] O=C(NC1CC[NH+](CC1)C[*:1])C1CCCCC1
CNC(=O)NC(=O)CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] CNC(=O)NC(=O)CC[NH+]1CCC(CC1)NC(=O)[*:1]
CNC(=O)NC(=O)CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 CNC(=O)NC(=O)[*:1] O=C(NC1CC[NH+](CC1)CC[*:1])C1CCCCC1
C[C@H]1CCN(C(=O)CCNC(=O)/C=C/c2ccco2)C[C@@H]1O c1coc(c1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)CCNC(=O)C=C[*:1]
C[C@H]1CCN(C(=O)CCNC(=O)/C=C/c2ccco2)C[C@@H]1O C(=C[*:1])c1ccco1 C[C@H]1CCN(C[C@@H]1O)C(=O)CCNC(=O)[*:1]
CNC(=O)c1cccc(NC(=O)C[C@@H]2C[NH2+]CCO2)c1 CNC(=O)[*:1] O=C(C[C@@H]1C[NH2+]CCO1)Nc1cccc(c1)[*:1]
C[NH2+][C@H]1[C@H](CN(C)CCC[NH+](C)C)C(C)(C)OC1(C)C C[NH+](C)CC[*:1] C[NH2+][C@H]1[C@H](CN(C)C[*:1])C(C)(C)OC1(C)C
C[NH2+][C@H]1[C@H](CN(C)CCC[NH+](C)C)C(C)(C)OC1(C)C C[NH+](C)CCC[*:1] C[NH2+][C@H]1[C@H](CN(C)[*:1])C(C)(C)OC1(C)C
CC(C)[C@H]([NH3+])c1nc([O-])c(-c2ccc(Cl)cc2)c(=O)[nH]1 CC(C)[*:1] [NH3+][C@H](c1nc([O-])c(-c2ccc(Cl)cc2)c(=O)[nH]1)[*:1]
CN(Cc1cccs1)C(=O)C(=O)Nc1ccc(F)c(Cl)c1 c1csc(c1)C[*:1] CN(C(=O)C(=O)Nc1ccc(F)c(Cl)c1)[*:1]
CN(Cc1cccs1)C(=O)C(=O)Nc1ccc(F)c(Cl)c1 c1csc(c1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc(F)c(Cl)c1
O=C(NCCO)c1cc(-c2ccccn2)nc2ccccc12 O=C(NCCO)[*:1] c1ccc(nc1)-c1cc(c2ccccc2n1)[*:1]
O=C(NCCO)c1cc(-c2ccccn2)nc2ccccc12 OCC[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccccn1
O=C(NCCO)c1cc(-c2ccccn2)nc2ccccc12 c1ccc(nc1)[*:1] O=C(NCCO)c1cc(nc2ccccc12)[*:1]
CC(C)(C)c1n[nH]cc1CNc1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] CC(C)(C)c1n[nH]cc1CNc1ccc(cc1)[*:1]
CC(C)(C)c1n[nH]cc1CNc1ccc(Cn2cccn2)cc1 CC(C)(C)[*:1] c1cnn(c1)Cc1ccc(cc1)NCc1c[nH]nc1[*:1]
CC(C)(C)c1n[nH]cc1CNc1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] CC(C)(C)c1n[nH]cc1CNc1ccc(cc1)C[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)c2cnn(C(C)C)c2C)CC1 Cc1occc1[*:1] Cc1c(cnn1C(C)C)C(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)c2cnn(C(C)C)c2C)CC1 CC(C)[*:1] Cc1occc1C(=O)NC1CCN(CC1)C(=O)c1cnn(c1C)[*:1]
CC[C@@H](O)Cn1ccc(-c2cccc(-c3ccccc3F)c2)n1 Fc1ccccc1[*:1] CC[C@@H](O)Cn1ccc(n1)-c1cccc(c1)[*:1]
NC(=O)COc1cccc(CNC(=O)c2ccoc2)c1 NC(=O)C[*:1] O=C(NCc1cccc(c1)O[*:1])c1ccoc1
NC(=O)COc1cccc(CNC(=O)c2ccoc2)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)OC[*:1])c1ccoc1
NC(=O)COc1cccc(CNC(=O)c2ccoc2)c1 NC(=O)CO[*:1] O=C(NCc1cccc(c1)[*:1])c1ccoc1
NC(=O)COc1cccc(CNC(=O)c2ccoc2)c1 c1cc(co1)[*:1] NC(=O)COc1cccc(c1)CNC(=O)[*:1]
CC1(C)CC(=O)C(/C=N\CCN2CCN(CC(=O)Nc3ccccc3)CC2)=C([O-])C1 O=C(C[*:1])Nc1ccccc1 CC1(C)CC(=O)C(/C=N\CCN2CCN(CC2)[*:1])=C([O-])C1
CC1(C)CC(=O)C(/C=N\CCN2CCN(CC(=O)Nc3ccccc3)CC2)=C([O-])C1 c1ccc(cc1)[*:1] CC1(C)CC(=O)C(/C=N\CCN2CCN(CC2)CC(=O)N[*:1])=C([O-])C1
CC1(C)CC(=O)C(/C=N\CCN2CCN(CC(=O)Nc3ccccc3)CC2)=C([O-])C1 O=C(Nc1ccccc1)[*:1] CC1(C)CC(=O)C(/C=N\CCN2CCN(CC2)C[*:1])=C([O-])C1
Cc1nc2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2s1 Fc1ccc(cc1)[*:1] Cc1nc2ccc(cc2s1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] O=C([O-])[*:1] COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1CC=CC[C@H]1[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](C1)Oc1ncc(Cl)cn1
CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 Clc1cnc(nc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)O[*:1]
C#CCN(CC#C)C(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C#CCN(CC#C)C(=O)c1ccc(cc1)[*:1]
C#CCN(CC#C)C(=O)c1ccc(C(F)(F)F)cc1 C#CC[*:1] C#CCN(C(=O)c1ccc(cc1)C(F)(F)F)[*:1]
O=C([O-])[C@H]1CC[C@@H](CNc2ccccc2[N+](=O)[O-])O1 O=[N+]([O-])[*:1] O=C([O-])[C@H]1CC[C@@H](CNc2ccccc2[*:1])O1
O=C([O-])[C@H]1CC[C@@H](CNc2ccccc2[N+](=O)[O-])O1 O=C([O-])[*:1] O=[N+]([O-])c1ccccc1NC[C@@H]1CC[C@@H](O1)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(-c3csc(C)n3)o2)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)NCc1ccc(o1)-c1csc(C)n1)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(-c3csc(C)n3)o2)c1 Cc1nc(cs1)[*:1] Cc1ccc(c(c1)OCC(=O)NCc1ccc(o1)[*:1])C(C)C
Cc1cc(NC(=O)N(C)CC[C@H](C)O)ccc1Oc1cccnc1 c1cncc(c1)O[*:1] Cc1cc(ccc1[*:1])NC(=O)N(C)CC[C@H](C)O
Cc1cc(NC(=O)N(C)CC[C@H](C)O)ccc1Oc1cccnc1 c1cncc(c1)[*:1] Cc1cc(ccc1O[*:1])NC(=O)N(C)CC[C@H](C)O
CCC[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)c1cscc1C CCC[*:1] Cc1cscc1[C@H]([NH2+][*:1])c1ccc2O[C@@H](C)Cc2c1
CCC[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)c1cscc1C Cc1cscc1[*:1] CCC[NH2+][C@H](c1ccc2O[C@@H](C)Cc2c1)[*:1]
CC(C)CN(CC(C)C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C CC(C)C[*:1] CC(C)CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
CC(C)CN(CC(C)C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C CC(C)[*:1] CC(C)CN(C[*:1])C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3nc4ccc(C)cc4s3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc2nc(NC(=O)C3CC[NH+](CC3)CC(=O)N[*:1])sc2c1
Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3nc4ccc(C)cc4s3)CC2)c(C)c1 Cc1ccc2nc(sc2c1)[*:1] Cc1ccc(NC(=O)C[NH+]2CCC(CC2)C(=O)N[*:1])c(C)c1
CC(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 CC(C)C(=O)N[*:1] O=C(Cc1cccc(F)c1)N1CCC[C@@H](C1)C[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 CC(C)C(=O)NC[*:1] O=C(Cc1cccc(F)c1)N1CCC[C@@H](C1)[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CC(C)C(=O)NC[C@H]1CCCN(C1)C(=O)C[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 CC(C)[*:1] O=C(Cc1cccc(F)c1)N1CCC[C@H](CNC(=O)[*:1])C1
C[C@H]1CCN(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)[C@@H](C)C1 O=C1CCC(=O)N1C[*:1] C[C@H]1CCN(C(=O)Nc2ccccc2[*:1])[C@@H](C)C1
C[C@H]1CCN(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)[C@@H](C)C1 O=C1CCC(=O)N1[*:1] C[C@H]1CCN(C(=O)Nc2ccccc2C[*:1])[C@@H](C)C1
CS(=O)(=O)CCCNC(=O)c1cc(-c2ccc(Cl)s2)on1 CS(=O)(=O)CC[*:1] O=C(NC[*:1])c1cc(on1)-c1ccc(Cl)s1
CS(=O)(=O)CCCNC(=O)c1cc(-c2ccc(Cl)s2)on1 Clc1ccc(s1)[*:1] CS(=O)(=O)CCCNC(=O)c1cc(on1)[*:1]
CS(=O)(=O)CCCNC(=O)c1cc(-c2ccc(Cl)s2)on1 CS(=O)(=O)[*:1] O=C(NCCC[*:1])c1cc(on1)-c1ccc(Cl)s1
CS(=O)(=O)CCCNC(=O)c1cc(-c2ccc(Cl)s2)on1 CS(=O)(=O)CCC[*:1] O=C(N[*:1])c1cc(on1)-c1ccc(Cl)s1
CS(=O)(=O)CCCNC(=O)c1cc(-c2ccc(Cl)s2)on1 CS(=O)(=O)C[*:1] O=C(NCC[*:1])c1cc(on1)-c1ccc(Cl)s1
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)C(=O)Nc2ccc3c(c2)COC3)C1 c1cc2COCc2cc1[*:1] C[C@H]1C[C@@H](c2ccccc2F)N(C1)C(=O)C(=O)N[*:1]
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)C(=O)Nc2ccc3c(c2)COC3)C1 Fc1ccccc1[*:1] C[C@H]1C[C@@H](N(C1)C(=O)C(=O)Nc1ccc2COCc2c1)[*:1]
CCC[NH2+]CCCc1c(C)nc([C@@H]2CSCCS2)nc1C CCC[*:1] Cc1nc(nc(C)c1CCC[NH2+][*:1])[C@@H]1CSCCS1
CCC[NH2+]CCCc1c(C)nc([C@@H]2CSCCS2)nc1C CCC[NH2+]CCC[*:1] Cc1nc(nc(C)c1[*:1])[C@@H]1CSCCS1
CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(Cl)ccc1OC COc1cccc(c1)[*:1] CCN(CC(=O)N[*:1])C(=O)c1cc(Cl)ccc1OC
CC(C)N(C)C(=O)[C@H](C)SCc1ccnn1C CC(C)[*:1] C[C@H](SCc1ccnn1C)C(=O)N(C)[*:1]
CC(C)[NH2+]CCc1nc([C@@]2(C)CCCO2)no1 CC(C)[*:1] C[C@@]1(CCCO1)c1noc(CC[NH2+][*:1])n1
O=C(N[C@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@@H]1O)C(F)(F)F O=C(N[*:1])C(F)(F)F OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H]([C@@H](O)[C@@H]1O)[*:1]
O=C(N[C@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@@H]1O)C(F)(F)F FC(F)(F)[*:1] O=C(N[C@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@@H]1O)[*:1]
O=C(N[C@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@@H]1O)C(F)(F)F c1ccc(cc1)C[*:1] O=C(N[C@H]1[C@@H](O[C@@H](CO)[C@@H](O)[C@@H]1O)O[*:1])C(F)(F)F
O=C(N[C@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@@H]1O)C(F)(F)F c1ccc(cc1)[*:1] O=C(N[C@H]1[C@H](OC[*:1])O[C@@H](CO)[C@@H](O)[C@@H]1O)C(F)(F)F
O=C(N[C@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@@H]1O)C(F)(F)F c1ccc(cc1)CO[*:1] O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1[*:1])C(F)(F)F
[NH3+]CCNC(=O)C(=O)NCC1CCCC1 C1CCC(C1)[*:1] [NH3+]CCNC(=O)C(=O)NC[*:1]
[NH3+]CCNC(=O)C(=O)NCC1CCCC1 [NH3+]CC[*:1] O=C(NCC1CCCC1)C(=O)N[*:1]
CCN1CCO[C@H](C(=O)NC2(c3cccc(F)c3)CCOCC2)C1 Fc1cccc(c1)[*:1] CCN1CCO[C@@H](C1)C(=O)NC1(CCOCC1)[*:1]
CC[C@H](C)NC(=O)NC1CCN(S(=O)(=O)CC)CC1 CC[C@H](C)[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)N[*:1]
CCc1nnsc1C(=O)N1CCC[NH+](Cc2ccccc2C)CC1 Cc1ccccc1C[*:1] CCc1nnsc1C(=O)N1CCC[NH+](CC1)[*:1]
CCc1nnsc1C(=O)N1CCC[NH+](Cc2ccccc2C)CC1 CCc1nnsc1[*:1] Cc1ccccc1C[NH+]1CCCN(CC1)C(=O)[*:1]
CCc1nnsc1C(=O)N1CCC[NH+](Cc2ccccc2C)CC1 Cc1ccccc1[*:1] CCc1nnsc1C(=O)N1CCC[NH+](CC1)C[*:1]
O=C(Cn1cnnn1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 c1nnnn1[*:1] O=C(C[*:1])N1CCC[C@H](C1)[NH+]1CCN(CC1)Cc1ccc2OCOc2c1
O=C(Cn1cnnn1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 c1cc2OCOc2cc1C[*:1] O=C(Cn1cnnn1)N1CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
O=C(Cn1cnnn1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 c1nnnn1C[*:1] O=C(N1CCC[C@H](C1)[NH+]1CCN(CC1)Cc1ccc2OCOc2c1)[*:1]
O=C(Cn1cnnn1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 c1cc2OCOc2cc1[*:1] O=C(Cn1cnnn1)N1CCC[C@H](C1)[NH+]1CCN(CC1)C[*:1]
Cn1cc[nH+]c1[C@H](NCc1ccc2ccccc2c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1cc[nH+]c1[C@H](NCc1ccc2ccccc2c1)[*:1]
Cc1ccnc(NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 CN(C)S(=O)(=O)[*:1] Cc1ccnc(c1)NNC(=O)c1ccc(cc1)[*:1]
Cc1ccnc(NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 Cc1ccnc(c1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NN[*:1]
CS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 CS(=O)(=O)[*:1] O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccc(c1)[*:1]
CS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 CS(=O)(=O)c1cccc(c1)[*:1] O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
CS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 c1ccc(cc1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H](c1c[nH]c2ccccc12)[*:1]
CS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 c1ccc2c(c[nH]c2c1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H](c1ccccc1)[*:1]
O=C(CN1CCO[C@@H](c2ccc(F)c(F)c2)C1)NC1CCC2(CC1)OCCO2 Fc1ccc(cc1F)[*:1] O=C(CN1CCO[C@@H](C1)[*:1])NC1CCC2(CC1)OCCO2
CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC)cc1 Cc1cccc(c1)[*:1] CC[C@H](O[*:1])C(=O)Nc1ccc(cc1)OC
SC/C=C/COCc1ccccc1 SCC=C[*:1] c1ccc(cc1)COC[*:1]
CC(C)N(C)C(=O)CNC(=O)c1ccc(C#N)cc1 CC(C)[*:1] CN(C(=O)CNC(=O)c1ccc(C#N)cc1)[*:1]
Cc1ccc(NC(=O)CN(CC(=O)N(C)C)c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)CN(CC(=O)N(C)C)[*:1]
Cc1ccc(NC(=O)CN(CC(=O)N(C)C)c2ccccc2)cc1C Cc1ccc(cc1C)[*:1] CN(C)C(=O)CN(CC(=O)N[*:1])c1ccccc1
Cc1ccc(NC(=O)CN(CC(=O)N(C)C)c2ccccc2)cc1C CN(C)C(=O)C[*:1] Cc1ccc(cc1C)NC(=O)CN(c1ccccc1)[*:1]
Cc1ccc(NC(=O)CN(CC(=O)N(C)C)c2ccccc2)cc1C CN(C)C(=O)[*:1] Cc1ccc(cc1C)NC(=O)CN(C[*:1])c1ccccc1
CCOC(=O)[C@@H](F)[C@H](C)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O CCOC(=O)[*:1] C[C@H](N[C@@H]1CCN(C1=O)c1ccc(Cl)cc1)[C@H](F)[*:1]
CCOC(=O)[C@@H](F)[C@H](C)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CCOC(=O)[C@@H](F)[C@H](C)N[C@@H]1CCN(C1=O)[*:1]
CCOC(=O)[C@@H](F)[C@H](C)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O CCOC(=O)[C@@H](F)[*:1] C[C@H](N[C@@H]1CCN(C1=O)c1ccc(Cl)cc1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(-c3ccccc3OCC)c2)C1 CCO[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cccc(c1)-c1ccccc1[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(-c3ccccc3OCC)c2)C1 CCOc1ccccc1[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(-c3ccccc3OCC)c2)C1 CCOC[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(-c3ccccc3OCC)c2)C1 CCO[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)N1CCC[C@@H](C1)C[*:1]
C[C@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)c1ccc2c(c1)OCO2 Fc1cccc(c1)[*:1] C[C@H](NC(=O)N1CCC[C@@H]1[*:1])c1ccc2OCOc2c1
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)c1ccc(C)cc1C CCCC[*:1] Cc1ccc(c(C)c1)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)[*:1]
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)c1ccc(C)cc1C CCC[*:1] Cc1ccc(c(C)c1)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)C[*:1]
CCOc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)Nc1ccc2NC(=O)Cc2c1
COc1ccccc1[C@@H](NC(=O)Nc1cnccc1C)c1noc(C)n1 Cc1ccncc1[*:1] COc1ccccc1[C@@H](NC(=O)N[*:1])c1noc(C)n1
COc1ccccc1[C@@H](NC(=O)Nc1cnccc1C)c1noc(C)n1 COc1ccccc1[*:1] Cc1nc(no1)[C@H](NC(=O)Nc1cnccc1C)[*:1]
COc1ccccc1[C@@H](NC(=O)Nc1cnccc1C)c1noc(C)n1 Cc1nc(no1)[*:1] COc1ccccc1[C@@H](NC(=O)Nc1cnccc1C)[*:1]
Cc1ccccc1C/C(N)=N\O[C@@H](C)c1nc(C2CC2)no1 C1CC1[*:1] Cc1ccccc1C/C(N)=N\O[C@@H](C)c1nc(no1)[*:1]
Cc1ccccc1C/C(N)=N\O[C@@H](C)c1nc(C2CC2)no1 Cc1ccccc1[*:1] C[C@H](O/N=C(/N)C[*:1])c1nc(no1)C1CC1
CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1 CCO[*:1] C[C@@H]1CCC[C@H](C1)[NH2+]Cc1cccc(c1)[*:1]
CC(C)([NH3+])c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)([NH3+])c1cccc(c1)[*:1]
CC(C)([NH3+])c1cccc(C(F)(F)F)c1 CC(C)([NH3+])[*:1] FC(F)(F)c1cccc(c1)[*:1]
CCOc1ccc2nc(N3CCC(C(=O)NCc4ccccc4F)CC3)sc2c1 CCO[*:1] O=C(NCc1ccccc1F)C1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(N3CCC(C(=O)NCc4ccccc4F)CC3)sc2c1 Fc1ccccc1C[*:1] CCOc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N[*:1]
CCOc1ccc2nc(N3CCC(C(=O)NCc4ccccc4F)CC3)sc2c1 Fc1ccccc1[*:1] CCOc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)NC[*:1]
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl Clc1ccccc1[*:1] C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(cc1)S(C)(=O)=O)[*:1]
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl CS(=O)(=O)[*:1] C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(cc1)[*:1])c1ccccc1Cl
C[C@H]1C[C@H](OC[C@@H](O)C[N+]2(C)CCOCC2)CC(C)(C)C1 C[N+]1(CCOCC1)[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)OC[C@@H](O)C[*:1]
O=C(c1cn(Cc2ccccc2F)nn1)N1CC[NH+](Cc2ccccc2)CC1 Fc1ccccc1[*:1] O=C(c1cn(C[*:1])nn1)N1CC[NH+](CC1)Cc1ccccc1
O=C(c1cn(Cc2ccccc2F)nn1)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cn(Cc2ccccc2F)nn1)N1CC[NH+](CC1)[*:1]
O=C(c1cn(Cc2ccccc2F)nn1)N1CC[NH+](Cc2ccccc2)CC1 Fc1ccccc1C[*:1] O=C(c1cn(nn1)[*:1])N1CC[NH+](CC1)Cc1ccccc1
O=C(c1cn(Cc2ccccc2F)nn1)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cn(Cc2ccccc2F)nn1)N1CC[NH+](CC1)C[*:1]
CC(C)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 CC(C)[*:1] NC(=O)c1c(NC(=O)[*:1])sc2CCCCCc21
CC(C)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 CC(C)C(=O)N[*:1] NC(=O)c1c(sc2CCCCCc21)[*:1]
CC(C)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 NC(=O)[*:1] CC(C)C(=O)Nc1sc2CCCCCc2c1[*:1]
Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]
Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]
Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)OCC(=O)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 Cc1ccc(cc1)OC[*:1] O=C(N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-])[*:1]
Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)OCC(=O)N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[*:1]
COCC[C@H](C)[NH2+]C[C@](C)(O)c1ccc(F)cc1 COCC[*:1] C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)[*:1]
COCC[C@H](C)[NH2+]C[C@](C)(O)c1ccc(F)cc1 COC[*:1] C[C@@H](C[*:1])[NH2+]C[C@](C)(O)c1ccc(F)cc1
Cc1cc2c(N(C)CC(=O)NC(C)(C)C)ncnc2s1 CC(C)(C)[*:1] Cc1cc2c(ncnc2s1)N(C)CC(=O)N[*:1]
COc1ccccc1C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 COc1ccccc1[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[*:1]
N#Cc1ccc(C[NH2+]C2(c3ccccc3)CCC2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)C[NH2+]C1(CCC1)[*:1]
CC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] CC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCN(CC1)C[*:1]
CC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] CC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCN(CC1)[*:1]
CC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCN(Cc2cccs2)CC1 Cc1cc(no1)[*:1] CC[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)Cc1cccs1
COC(=O)C[C@H]1CN(C(=O)CCl)NC1=O COC(=O)C[*:1] O=C1NN(C[C@@H]1[*:1])C(=O)CCl
COC(=O)C[C@H]1CN(C(=O)CCl)NC1=O COC(=O)[*:1] O=C1NN(C[C@@H]1C[*:1])C(=O)CCl
CC[C@@H](C)[C@](C)(O)[C@@H]1CCC[NH2+]C1 CC[C@@H](C)[*:1] C[C@](O)([C@@H]1CCC[NH2+]C1)[*:1]
CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C Cc1ccc(F)cc1NC(=O)[*:1] CCn1c(nnc1[C@@H](NC(=O)c1ccccc1)C(C)C)SC[*:1]
CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C O=C(N[*:1])c1ccccc1 CCn1c(nnc1[C@@H](C(C)C)[*:1])SCC(=O)Nc1cc(F)ccc1C
CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C Cc1ccc(F)cc1[*:1] CCn1c(nnc1[C@@H](NC(=O)c1ccccc1)C(C)C)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C CC(C)[*:1] CCn1c(nnc1[C@@H](NC(=O)c1ccccc1)[*:1])SCC(=O)Nc1cc(F)ccc1C
CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C c1ccc(cc1)[*:1] CCn1c(nnc1[C@@H](NC(=O)[*:1])C(C)C)SCC(=O)Nc1cc(F)ccc1C
CCOC(=O)Cn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cc(S(C)(=O)=O)ccc21 CCOC(=O)[*:1] CS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)Cc1ccc3OCOc3c1)n2C[*:1]
CCOC(=O)Cn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] CCOC(=O)Cn1/c(=N/C(=O)Cc2ccc3OCOc3c2)sc2cc(ccc21)[*:1]
CCOC(=O)Cn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cc(S(C)(=O)=O)ccc21 CCOC(=O)C[*:1] CS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)Cc1ccc3OCOc3c1)n2[*:1]
CCOC(=O)Cn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cc(S(C)(=O)=O)ccc21 c1cc2OCOc2cc1[*:1] CCOC(=O)Cn1/c(=N/C(=O)C[*:1])sc2cc(ccc21)S(C)(=O)=O
CCOC(=O)Cn1/c(=N/C(=O)Cc2ccc3c(c2)OCO3)sc2cc(S(C)(=O)=O)ccc21 c1cc2OCOc2cc1C[*:1] CCOC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
Cc1cc(NC(=O)C(=O)NCc2ccncc2)ccc1Oc1cccnc1 c1cc(ccn1)[*:1] Cc1cc(ccc1Oc1cccnc1)NC(=O)C(=O)NC[*:1]
Cc1cc(NC(=O)C(=O)NCc2ccncc2)ccc1Oc1cccnc1 c1cc(ccn1)C[*:1] Cc1cc(ccc1Oc1cccnc1)NC(=O)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)NCc2ccncc2)ccc1Oc1cccnc1 c1cncc(c1)[*:1] Cc1cc(ccc1O[*:1])NC(=O)C(=O)NCc1ccncc1
Cc1cc(NC(=O)C(=O)NCc2ccncc2)ccc1Oc1cccnc1 c1cncc(c1)O[*:1] Cc1cc(ccc1[*:1])NC(=O)C(=O)NCc1ccncc1
CC1=C(C(N)=O)[C@H](c2cccnc2)N2NC(c3ccncc3)=NC2=[NH+]1 NC(=O)[*:1] CC1[NH+]=C2N=C(NN2[C@H](C=1[*:1])c1cccnc1)c1ccncc1
CC1=C(C(N)=O)[C@H](c2cccnc2)N2NC(c3ccncc3)=NC2=[NH+]1 c1cc(ccn1)[*:1] CC1[NH+]=C2N=C(NN2[C@H](C=1C(N)=O)c1cccnc1)[*:1]
CC1=C(C(N)=O)[C@H](c2cccnc2)N2NC(c3ccncc3)=NC2=[NH+]1 c1cncc(c1)[*:1] CC1[NH+]=C2N=C(NN2[C@@H](C=1C(N)=O)[*:1])c1ccncc1
COc1ccc([C@H](O)CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](O)CNC(=O)c1cc(nc2c1c(C)nn2C(C)(C)C)[*:1]
COc1ccc([C@H](O)CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1 COc1ccc(cc1)[C@H](O)[*:1] Cc1nn(c2nc(cc(C(=O)NC[*:1])c12)C(C)C)C(C)(C)C
COc1ccc([C@H](O)CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1 COc1ccc(cc1)[*:1] Cc1nn(c2nc(cc(C(=O)NC[C@@H](O)[*:1])c12)C(C)C)C(C)(C)C
COc1ccc([C@H](O)CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@H](O)CNC(=O)c1cc(nc2c1c(C)nn2[*:1])C(C)C
COC(=O)C1=NN[C@@]2(c3ccc(Cl)cc3)C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 Clc1ccc(cc1)[*:1] COC(=O)C1=NN[C@]2(C(=O)N(C(=O)[C@H]12)c1cccc(Br)c1)[*:1]
COC(=O)C1=NN[C@@]2(c3ccc(Cl)cc3)C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 Brc1cccc(c1)[*:1] COC(=O)C1=NN[C@]2(C(=O)N(C(=O)[C@H]12)[*:1])c1ccc(Cl)cc1
Cc1n[nH]c(-c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)n3)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cnn(n1)-c1ccc(F)cc1
Cc1n[nH]c(-c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)n3)cc2)n1 Fc1ccc(cc1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NC(=O)c1cnn(n1)[*:1]
COc1ccc([S@](=O)Nc2ccc(Cl)cc2)c(OC)c1C Clc1ccc(cc1)[*:1] COc1ccc(c(OC)c1C)[S@](=O)N[*:1]
O=C(Nc1ccccc1C(=O)NC[C@@H]1CCC[C@@H]1O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)c1ccccc1NC(=O)[*:1]
COc1cccc([C@@H](C)N(C)C(=O)c2coc(COc3cccc(F)c3F)n2)c1 Fc1cccc(c1F)[*:1] COc1cccc(c1)[C@@H](C)N(C)C(=O)c1coc(CO[*:1])n1
COc1cccc([C@@H](C)N(C)C(=O)c2coc(COc3cccc(F)c3F)n2)c1 COc1cccc(c1)[*:1] C[C@@H](N(C)C(=O)c1coc(COc2cccc(F)c2F)n1)[*:1]
COc1cccc([C@@H](C)N(C)C(=O)c2coc(COc3cccc(F)c3F)n2)c1 Fc1cccc(O[*:1])c1F COc1cccc(c1)[C@@H](C)N(C)C(=O)c1coc(C[*:1])n1
O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CN1CCCCC1 C1CCN(CC1)C[*:1] O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1[*:1]
O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CN1CCCCC1 C1CCN(CC1)[*:1] O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1C[*:1]
CNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCCCO2 CNC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc2OCCCOc2c1
Cc1ccc2c(c1)[C@H](NC(=O)c1n[nH]cc1Cl)CC1(CCOCC1)O2 Clc1c[nH]nc1[*:1] Cc1ccc2OC3(CCOCC3)C[C@@H](NC(=O)[*:1])c2c1
COc1ccccc1NC(=O)[C@@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O COc1ccccc1[*:1] C[C@H](C(=O)N[*:1])n1nnc2sc(cc2c1=O)-c1ccccc1
COc1ccccc1NC(=O)[C@@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O c1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@@H](C)n1nnc2sc(cc2c1=O)[*:1]
O=C([O-])c1ccc(O[C@H]2N=C(Cl)N=C3N=CN=C32)cc1 O=C([O-])[*:1] ClC1=N[C@H](Oc2ccc(cc2)[*:1])C2=NC=NC2=N1
COc1ccc([C@@H](O)[C@H](C)C(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)C(=O)N[*:1]
O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C1CC2(CCCC2)C(=O)N1CN1CCN(CC1)S(=O)(=O)[*:1]
CN(C)N(C(=O)c1cccc(OCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CN(C)N(C(=O)c1cccc(c1)OC[*:1])[C@@H]1CCS(=O)(=O)C1
CN(C)N(C(=O)c1cccc(OCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)CO[*:1] CN(C)N(C(=O)c1cccc(c1)[*:1])[C@@H]1CCS(=O)(=O)C1
CN(C)N(C(=O)c1cccc(OCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] CN(C)N(C(=O)c1cccc(c1)O[*:1])[C@@H]1CCS(=O)(=O)C1
CN(Cc1cccnc1)c1cc(Cl)c(Cl)cc1N c1cncc(c1)[*:1] CN(C[*:1])c1cc(Cl)c(Cl)cc1N
CC[C@@H](C)N1C(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2C1=O c1ccc2c(c[nH]c2c1)[*:1] CC[C@@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC[*:1]
Cc1noc(NC(=O)c2csc(C#CCO)c2)c1C OCC#C[*:1] Cc1noc(NC(=O)c2csc(c2)[*:1])c1C
N#Cc1cccc(CN2C(=O)[C@@](O)(c3cccc(F)c3)c3ccccc32)c1 Fc1cccc(c1)[*:1] N#Cc1cccc(c1)CN1C(=O)[C@@](O)(c2ccccc21)[*:1]
N#Cc1cccc(CN2C(=O)[C@@](O)(c3cccc(F)c3)c3ccccc32)c1 N#Cc1cccc(c1)C[*:1] O=C1N(c2ccccc2[C@]1(O)c1cccc(F)c1)[*:1]
N#Cc1cccc(CN2C(=O)[C@@](O)(c3cccc(F)c3)c3ccccc32)c1 N#Cc1cccc(c1)[*:1] O=C1N(C[*:1])c2ccccc2[C@]1(O)c1cccc(F)c1
CCc1cc(OC)c(OC)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCc1cc(OC)c(cc1C(=O)N1CCN(CC1)S(=O)(=O)[*:1])OC
Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)c(C)c1 c1coc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(c1ccco1)N1CCCc2cc(ccc21)NS(=O)(=O)[*:1]
CSCCCCNC(=O)c1nc(C2CC2)n2ccccc12 CSCCCC[*:1] O=C(N[*:1])c1nc(C2CC2)n2ccccc12
CSCCCCNC(=O)c1nc(C2CC2)n2ccccc12 CSCC[*:1] O=C(NCC[*:1])c1nc(C2CC2)n2ccccc12
CSCCCCNC(=O)c1nc(C2CC2)n2ccccc12 CSC[*:1] O=C(NCCC[*:1])c1nc(C2CC2)n2ccccc12
CSCCCCNC(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] CSCCCCNC(=O)c1nc(n2ccccc12)[*:1]
CSCCCCNC(=O)c1nc(C2CC2)n2ccccc12 CSCCC[*:1] O=C(NC[*:1])c1nc(C2CC2)n2ccccc12
C[C@H]1c2ccccc2C(C)(C)C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N12 O=C([O-])[*:1] C[C@H]1c2ccccc2C(C)(C)C[C@H]2c3cccc(c3C(=O)N12)[*:1]
COc1cccc(-n2cc([C@@H](C)Nc3ncnc4[nH]cnc34)cn2)c1 COc1cccc(c1)[*:1] C[C@@H](Nc1ncnc2[nH]cnc12)c1cnn(c1)[*:1]
CCOC(=O)[C@H](F)Oc1ccc(Br)cc1C CCOC(=O)[*:1] Cc1cc(Br)ccc1O[C@@H](F)[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(c(C)c1)N1C(=O)[C@@H](N=C1N1CCN(CC1)Cc1ccc2OCOc2c1)[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 c1cc2OCOc2cc1[*:1] Cc1ccc(c(C)c1)N1C(=O)[C@@H](Cc2ccccc2)N=C1N1CCN(CC1)C[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 c1cc2OCOc2cc1C[*:1] Cc1ccc(c(C)c1)N1C(=O)[C@@H](Cc2ccccc2)N=C1N1CCN(CC1)[*:1]
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)N1C(=O)[C@@H](C[*:1])N=C1N1CCN(CC1)Cc1ccc2OCOc2c1
Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N=C2N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1[C@@H](Cc2ccccc2)N=C(N2CCN(CC2)Cc2ccc3OCOc3c2)N1[*:1]
C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc(cc1)[*:1]
C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc(Cn2cncn2)cc1 C#CC[*:1] Cc1ccc(cc1)CN(C(=O)c1ccc(cc1)Cn1cncn1)[*:1]
C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc(cc1)C[*:1]
C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc(Cn2cncn2)cc1 Cc1ccc(cc1)[*:1] C#CCN(C[*:1])C(=O)c1ccc(cc1)Cn1cncn1
C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc(Cn2cncn2)cc1 Cc1ccc(cc1)C[*:1] C#CCN(C(=O)c1ccc(cc1)Cn1cncn1)[*:1]
COCCN1[C@@H](C)CN(Cc2nc(N)c3c(C)c(C)sc3n2)C[C@H]1C COCC[*:1] Cc1sc2nc(CN3C[C@H](C)N([C@H](C)C3)[*:1])nc(N)c2c1C
COCCN1[C@@H](C)CN(Cc2nc(N)c3c(C)c(C)sc3n2)C[C@H]1C COC[*:1] Cc1sc2nc(CN3C[C@H](C)N(C[*:1])[C@H](C)C3)nc(N)c2c1C
Cc1ccc(N2C(=O)CCC2=O)cc1NCc1ncccc1C(F)(F)F O=C1CCC(=O)N1[*:1] Cc1ccc(cc1NCc1ncccc1C(F)(F)F)[*:1]
Cc1ccc(N2C(=O)CCC2=O)cc1NCc1ncccc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1NCc1ncccc1[*:1])N1C(=O)CCC1=O
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1OC(F)F FC(F)O[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1[*:1]
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1OC(F)F FC(F)[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1O[*:1]
Cc1cc(Nc2ncnc(Nc3ccc4c(c3)OCCO4)c2N)no1 Cc1cc(no1)N[*:1] Nc1c(ncnc1[*:1])Nc1ccc2OCCOc2c1
Cc1cc(Nc2ncnc(Nc3ccc4c(c3)OCCO4)c2N)no1 Cc1cc(no1)[*:1] Nc1c(ncnc1N[*:1])Nc1ccc2OCCOc2c1
COc1cc(C(=O)N(Cc2ccccn2)c2nc3c(C)cccc3s2)c([N+](=O)[O-])cc1OC c1ccc(C[*:1])nc1 COc1cc(C(=O)N(c2nc3c(C)cccc3s2)[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)N(Cc2ccccn2)c2nc3c(C)cccc3s2)c([N+](=O)[O-])cc1OC c1ccc(nc1)[*:1] COc1cc(C(=O)N(C[*:1])c2nc3c(C)cccc3s2)c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)N(Cc2ccccn2)c2nc3c(C)cccc3s2)c([N+](=O)[O-])cc1OC Cc1cccc2sc(nc12)[*:1] COc1cc(C(=O)N(Cc2ccccn2)[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)N(Cc2ccccn2)c2nc3c(C)cccc3s2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)N(Cc2ccccn2)c2nc3c(C)cccc3s2)c(cc1OC)[*:1]
COc1cccc(C(=O)N2CCC[C@@H](C3[NH+]=c4ccccc4=[NH+]3)C2)c1 COc1cccc(c1)[*:1] O=C(N1CCC[C@H](C1)C1[NH+]=c2ccccc2=[NH+]1)[*:1]
Cn1c(-c2ccc(F)cc2)c[nH]/c1=N\C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 Fc1ccc(cc1)[*:1] Cn1c(c[nH]/c1=N\C(=O)[C@@]1(C)CC(=NO1)c1ccccc1Cl)[*:1]
Cn1c(-c2ccc(F)cc2)c[nH]/c1=N\C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 Clc1ccccc1[*:1] Cn1c(c[nH]/c1=N\C(=O)[C@@]1(C)CC(=NO1)[*:1])-c1ccc(F)cc1
COc1ccc(/C=C/C(=O)c2cccnc2)c(OC)c1 c1cncc(c1)[*:1] COc1ccc(/C=C/C(=O)[*:1])c(c1)OC
C[C@H]([NH2+]CC(=O)N1CCCCCC1)C(N)=O NC(=O)[*:1] C[C@H]([NH2+]CC(=O)N1CCCCCC1)[*:1]
CCc1nc(CCNC(=O)N[C@H]2C[C@@H]2C)sc1C C[C@H]1C[C@@H]1[*:1] CCc1nc(CCNC(=O)N[*:1])sc1C
CC(C)C(=O)NC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 Clc1ccc(s1)[*:1] CC(C)C(=O)NC[C@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 CC(C)[*:1] C[C@@H](NC(=O)N1CCC[C@H](CNC(=O)[*:1])C1)c1ccc(Cl)s1
CC(C)C(=O)NC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 C[C@H](c1ccc(Cl)s1)[*:1] CC(C)C(=O)NC[C@H]1CCCN(C1)C(=O)N[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 CC(C)C(=O)NC[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)[*:1])c1ccc(Cl)s1
CC(C)C(=O)NC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 CC(C)C(=O)N[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)C[*:1])c1ccc(Cl)s1
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1nnc2n1CCCCC2 CCN(CC)C(=O)[*:1] O=C(NCc1nnc2CCCCCn21)N1CCC[C@H]1[*:1]
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COc1cccc[n+]1[O-])C2 [O-][n+]1ccccc1[*:1] CC1(C)[C@H]2CC[C@]1(C)/C(C2)=N/NC(=O)CO[*:1]
COc1ccc(C[NH2+]CCCC(N)=O)c2ccccc12 NC(=O)CC[*:1] COc1ccc(C[NH2+]C[*:1])c2ccccc12
COc1ccc(C[NH2+]CCCC(N)=O)c2ccccc12 NC(=O)CCC[*:1] COc1ccc(C[NH2+][*:1])c2ccccc12
COc1ccc(C[NH2+]CCCC(N)=O)c2ccccc12 NC(=O)C[*:1] COc1ccc(C[NH2+]CC[*:1])c2ccccc12
COc1ccc(C[NH2+]CCCC(N)=O)c2ccccc12 NC(=O)[*:1] COc1ccc(C[NH2+]CCC[*:1])c2ccccc12
COC[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CCC1 COC[*:1] C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)[*:1]
COC[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CCC1 C1CC(C1)[*:1] COC[C@H](C)[NH2+][C@H](c1ccc(F)cc1)[*:1]
O=C(CSCC(F)(F)F)N1CCC[C@@H]1c1ccc2c(c1)OCO2 FC(F)(F)CSC[*:1] O=C(N1CCC[C@@H]1c1ccc2OCOc2c1)[*:1]
O=C(CSCC(F)(F)F)N1CCC[C@@H]1c1ccc2c(c1)OCO2 FC(F)(F)CS[*:1] O=C(C[*:1])N1CCC[C@@H]1c1ccc2OCOc2c1
O=C(CSCC(F)(F)F)N1CCC[C@@H]1c1ccc2c(c1)OCO2 FC(F)(F)[*:1] O=C(CSC[*:1])N1CCC[C@@H]1c1ccc2OCOc2c1
O=C(CSCC(F)(F)F)N1CCC[C@@H]1c1ccc2c(c1)OCO2 FC(F)(F)C[*:1] O=C(CS[*:1])N1CCC[C@@H]1c1ccc2OCOc2c1
C=C(C)CNC(=S)N1CCCC1 C=C(C)[*:1] S=C(NC[*:1])N1CCCC1
C=C(C)CNC(=S)N1CCCC1 C=C(C)C[*:1] S=C(N[*:1])N1CCCC1
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1NC(=O)Cc1ccccc1 O=C(Cc1ccccc1)N[*:1] C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1[*:1]
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1NC(=O)C[*:1]
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1NC(=O)[*:1]
COc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1OC NC(=O)[*:1] COc1ccc(cc1OC)S(=O)(=O)N(C)C[*:1]
COc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1OC NC(=O)C[*:1] COc1ccc(cc1OC)S(=O)(=O)N(C)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 CC(C)[*:1] C[C@H](NC(=O)Nc1cccc(c1)NC(=O)[*:1])C(=O)N1CCCCC1
CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] CC(C)C(=O)Nc1cccc(c1)NC(=O)N[C@@H](C)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H](C)C(=O)N2CCCCC2)c1 CC(C)C(=O)N[*:1] C[C@H](NC(=O)Nc1cccc(c1)[*:1])C(=O)N1CCCCC1
Cc1ccc(C)c(OCCNC(=O)CCC(=O)[O-])c1 O=C([O-])CC[*:1] Cc1ccc(C)c(c1)OCCNC(=O)[*:1]
Cc1ccc(C)c(OCCNC(=O)CCC(=O)[O-])c1 O=C([O-])C[*:1] Cc1ccc(C)c(c1)OCCNC(=O)C[*:1]
Cc1ccc(C)c(OCCNC(=O)CCC(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)OCCNC(=O)CC[*:1]
Cc1cc(Cl)ccc1Oc1ccc(C[NH2+]C(C)C)cc1 CC(C)[*:1] Cc1cc(Cl)ccc1Oc1ccc(cc1)C[NH2+][*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C[*:1])C(=O)Nc1ccc2O[C@H](C)C(=O)Nc2c1
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)Nc1ccc2O[C@H](C)C(=O)Nc2c1)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@H](NS(=O)(=O)[*:1])C(=O)Nc1ccc2O[C@H](C)C(=O)Nc2c1
COCCC[C@]1(CO)CCCN(S(=O)(=O)c2ccc(C)c(F)c2)C1 COC[*:1] Cc1ccc(cc1F)S(=O)(=O)N1CCC[C@@](CO)(CC[*:1])C1
COCCC[C@]1(CO)CCCN(S(=O)(=O)c2ccc(C)c(F)c2)C1 COCC[*:1] Cc1ccc(cc1F)S(=O)(=O)N1CCC[C@](CO)(C1)C[*:1]
COCCC[C@]1(CO)CCCN(S(=O)(=O)c2ccc(C)c(F)c2)C1 Cc1ccc(cc1F)[*:1] COCCC[C@]1(CO)CCCN(C1)S(=O)(=O)[*:1]
COCCC[C@]1(CO)CCCN(S(=O)(=O)c2ccc(C)c(F)c2)C1 COCCC[*:1] Cc1ccc(cc1F)S(=O)(=O)N1CCC[C@@](CO)(C1)[*:1]
COc1ccc([C@@H](NC(=O)c2cncnc2)c2nccn2C)cc1 COc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)c1cncnc1)[*:1]
COc1ccc([C@@H](NC(=O)c2cncnc2)c2nccn2C)cc1 c1ncc(cn1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)[*:1])c1nccn1C
COc1ccc([C@@H](NC(=O)c2cncnc2)c2nccn2C)cc1 Cn1ccnc1[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1cncnc1)[*:1]
C[C@@H](Cc1c(F)cccc1F)NC(=O)COc1cccc2c1CCC2=O Fc1cccc(F)c1[*:1] C[C@@H](C[*:1])NC(=O)COc1cccc2C(=O)CCc12
CC(C)N1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1 O=C([O-])[*:1] CC(C)N1C(=O)C[C@@H]([C@H]1c1ccccc1)[*:1]
CC(C)N1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1 CC(C)[*:1] O=C([O-])[C@@H]1CC(=O)N([C@@H]1c1ccccc1)[*:1]
CC(C)N1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)N1C(=O)C[C@@H](C(=O)[O-])[C@@H]1[*:1]
C[C@H](c1cccs1)N(C)C(=O)COc1ccccc1CO c1csc(c1)[*:1] C[C@H](N(C)C(=O)COc1ccccc1CO)[*:1]
C[C@H](c1cccs1)N(C)C(=O)COc1ccccc1CO C[C@H](c1cccs1)[*:1] CN(C(=O)COc1ccccc1CO)[*:1]
CN(Cc1ccccc1F)C(=O)CNc1c(F)cccc1F Fc1ccccc1[*:1] CN(C[*:1])C(=O)CNc1c(F)cccc1F
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)CSc1nnnn1[*:1]
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-n1nnnc1SCC(=O)Nc1ccc(C)c(c1)[*:1]
O=C(C1CCOCC1)N1CCC[C@@H]1C[NH+]1CCCC1 C1CC(CCO1)[*:1] O=C(N1CCC[C@@H]1C[NH+]1CCCC1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1C c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N(C)[C@H]1CCCC[C@H]1C)[*:1]
CC[C@@H](CSC)NC(=O)NCCc1c(C)nn(C)c1C CSC[*:1] CC[C@@H](NC(=O)NCCc1c(C)nn(C)c1C)[*:1]
Cc1cc2ncn(C[C@H](O)CSc3nncs3)c2cc1C c1nnc(SC[*:1])s1 Cc1cc2ncn(C[C@H](O)[*:1])c2cc1C
Cc1cc2ncn(C[C@H](O)CSc3nncs3)c2cc1C c1nnc(S[*:1])s1 Cc1cc2ncn(C[C@H](O)C[*:1])c2cc1C
Cc1cc2ncn(C[C@H](O)CSc3nncs3)c2cc1C c1nnc(s1)[*:1] Cc1cc2ncn(C[C@H](O)CS[*:1])c2cc1C
COc1ccc([C@@H]2N(c3ccc(OC)c(Cl)c3)C(=O)[C@H]3CCCN23)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1Cl)N1C(=O)[C@H]2CCCN2[C@@H]1[*:1]
COC(=O)[C@H]1CN(C(=O)c2cccc(C)c2)C[C@@H]1C COC(=O)[*:1] Cc1cccc(c1)C(=O)N1C[C@H](C)[C@H](C1)[*:1]
CC(=O)c1ccc(N2CCN(CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 c1ccc(cc1)OCC[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 CC(=O)[*:1] O=[N+]([O-])c1cc(ccc1N1CCN(CCOc2ccccc2)CC1)[*:1]
CC(=O)c1ccc(N2CCN(CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 c1ccc(cc1)OC[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C[*:1]
CC(=O)c1ccc(N2CCN(CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 c1ccc(cc1)O[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)CC[*:1]
CC(=O)c1ccc(N2CCN(CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CCO[*:1])CC1
CC(=O)c1ccc(N2CCN(CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(c(c1)[*:1])N1CCN(CCOc2ccccc2)CC1
CC(C)C(=O)CSc1n[nH]c(=O)n1C(C)C CC(C)[*:1] CC(C)C(=O)CSc1n[nH]c(=O)n1[*:1]
CC(C)C(=O)CSc1n[nH]c(=O)n1C(C)C CC(C)[*:1] CC(C)n1c(n[nH]c1=O)SCC(=O)[*:1]
CC(C)C(=O)CSc1n[nH]c(=O)n1C(C)C CC(C)C(=O)[*:1] CC(C)n1c(n[nH]c1=O)SC[*:1]
COc1ccc(C(C)(C)CNC(=O)N[C@@H](C)[C@@H](C)CO)cc1 C[C@@H](CO)[*:1] COc1ccc(cc1)C(C)(C)CNC(=O)N[C@@H](C)[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 C1CN(CCO1)[*:1] Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc([nH+]c1)[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 Cc1noc(C)c1C[*:1] O=C(NCc1ccc([nH+]c1)N1CCOCC1)c1ccccc1O[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 Cc1noc(C)c1CO[*:1] O=C(NCc1ccc([nH+]c1)N1CCOCC1)c1ccccc1[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 Cc1noc(C)c1[*:1] O=C(NCc1ccc([nH+]c1)N1CCOCC1)c1ccccc1OC[*:1]
Cc1ccc([C@@H]2CC=CC[C@@H]2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@@H]1CC=CC[C@H]1[*:1]
COc1cc(C(=O)NCCOc2ccccc2)cc(Cl)c1OC c1ccc(cc1)[*:1] COc1cc(cc(Cl)c1OC)C(=O)NCCO[*:1]
COc1cc(C(=O)NCCOc2ccccc2)cc(Cl)c1OC c1ccc(cc1)O[*:1] COc1cc(cc(Cl)c1OC)C(=O)NCC[*:1]
CCCN1CCN(S(C)(=O)=O)CC1 CCC[*:1] CS(=O)(=O)N1CCN(CC1)[*:1]
CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CC(=O)N4CCCC[C@H]4C3=O)cc2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)CN1CC(=O)N2CCCC[C@H]2C1=O
CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CC(=O)N4CCCC[C@H]4C3=O)cc2)cc1 CCOC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)CN1CC(=O)N2CCCC[C@H]2C1=O
NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(-n2cccn2)cc1 NC(=O)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1ccc(cc1)-n1cccn1
NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)[*:1]
CC1([C@]2(O)C[C@H](c3ccccc3)ON2)CCCCC1 c1ccc(cc1)[*:1] CC1(CCCCC1)[C@]1(O)C[C@H](ON1)[*:1]
O=C(CSc1ccccn1)N1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccccc2)C1 c1ccc(nc1)[*:1] O=C(CS[*:1])N1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)N1CCCC1
O=C(CSc1ccccn1)N1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccccc2)C1 c1ccc(nc1)SC[*:1] O=C(c1nn(Cc2ccccc2)c2CCN(Cc12)C(=O)[*:1])N1CCCC1
O=C(CSc1ccccn1)N1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(CSc1ccccn1)N1CCc2c(C1)c(nn2C[*:1])C(=O)N1CCCC1
O=C(CSc1ccccn1)N1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccccc2)C1 O=C(N1CCCC1)[*:1] O=C(CSc1ccccn1)N1CCc2c(C1)c(nn2Cc1ccccc1)[*:1]
O=C(CSc1ccccn1)N1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(CSc1ccccn1)N1CCc2c(C1)c(nn2[*:1])C(=O)N1CCCC1
O=C(CSc1ccccn1)N1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccccc2)C1 c1ccc(nc1)S[*:1] O=C(C[*:1])N1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)N1CCCC1
CN(C)c1nc(N)nc(CN2CCN(C(=O)c3cc4ccccc4o3)CC2)n1 c1ccc2oc(cc2c1)[*:1] CN(C)c1nc(N)nc(CN2CCN(CC2)C(=O)[*:1])n1
CN(C)c1nc(N)nc(CN2CCN(C(=O)c3cc4ccccc4o3)CC2)n1 CN(C)[*:1] Nc1nc(CN2CCN(CC2)C(=O)c2cc3ccccc3o2)nc(n1)[*:1]
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OC1CCCCC1)C2=O C1CCC(CC1)[*:1] C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)O[*:1])C2=O
CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)C[*:1] CC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 CC[C@@H](C)NC(=O)[*:1] O=S(=O)(Cc1ccc(Cl)cc1)N1CCC[C@H](C1)[*:1]
CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 CC[C@@H](C)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)Cc1ccc(Cl)cc1
CC(C)=C(F)C(=O)NCc1csc(=O)[nH]1 CC(C)=C(F)[*:1] O=C(NCc1csc(=O)[nH]1)[*:1]
Cc1ccc2c(CC(=O)N3CCN(CC(C)(C)O)CC3)c[nH]c2c1 CC(C)(O)[*:1] Cc1ccc2c(c[nH]c2c1)CC(=O)N1CCN(CC1)C[*:1]
Cc1ccc2c(CC(=O)N3CCN(CC(C)(C)O)CC3)c[nH]c2c1 CC(C)(O)C[*:1] Cc1ccc2c(c[nH]c2c1)CC(=O)N1CCN(CC1)[*:1]
Cc1cccc(NCCNC(=O)Nc2cn[nH]c2)[nH+]1 c1n[nH]cc1[*:1] Cc1cccc(NCCNC(=O)N[*:1])[nH+]1
CC(C)C[NH+]1CCN([C@@H](C)C(=O)NC(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] CC(C)C[NH+]1CCN(CC1)[C@@H](C)C(=O)NC(=O)N[*:1]
CC(C)C[NH+]1CCN([C@@H](C)C(=O)NC(=O)NC2CCCC2)CC1 CC(C)C[*:1] C[C@@H](C(=O)NC(=O)NC1CCCC1)N1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCN([C@@H](C)C(=O)NC(=O)NC2CCCC2)CC1 CC(C)[*:1] C[C@@H](C(=O)NC(=O)NC1CCCC1)N1CC[NH+](CC1)C[*:1]
C[NH2+][C@@H](Cc1cnn(C)c1)C1(N(C)C)CCCCC1 Cn1cc(cn1)[*:1] C[NH2+][C@@H](C[*:1])C1(CCCCC1)N(C)C
C[NH2+][C@@H](Cc1cnn(C)c1)C1(N(C)C)CCCCC1 CN(C)[*:1] C[NH2+][C@@H](Cc1cnn(C)c1)C1(CCCCC1)[*:1]
CC(C)CNC(=O)NCc1ccc(F)c(Cl)c1 CC(C)C[*:1] O=C(NCc1ccc(F)c(Cl)c1)N[*:1]
CC(C)CNC(=O)NCc1ccc(F)c(Cl)c1 CC(C)[*:1] O=C(NCc1ccc(F)c(Cl)c1)NC[*:1]
NC(=O)CCCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F NC(=O)[*:1] O=C(NCCCC[*:1])[C@@H]1C[C@@H]1c1cc(F)ccc1F
NC(=O)CCCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F NC(=O)C[*:1] O=C(NCCC[*:1])[C@@H]1C[C@@H]1c1cc(F)ccc1F
NC(=O)CCCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F NC(=O)CCCC[*:1] O=C(N[*:1])[C@@H]1C[C@@H]1c1cc(F)ccc1F
NC(=O)CCCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F NC(=O)CCC[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1cc(F)ccc1F
NC(=O)CCCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F NC(=O)CC[*:1] O=C(NCC[*:1])[C@@H]1C[C@@H]1c1cc(F)ccc1F
COC(=O)c1c(NC(=O)COc2ccc(C(N)=O)cc2)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)COc2ccc(cc2)C(N)=O)c(c1C)[*:1]
COC(=O)c1c(NC(=O)COc2ccc(C(N)=O)cc2)sc(C)c1C NC(=O)[*:1] COC(=O)c1c(NC(=O)COc2ccc(cc2)[*:1])sc(C)c1C
Cn1nccc1CNC(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] Cn1nccc1CNC(=O)Nc1cnc(s1)[*:1]
Cn1nccc1CNC(=O)Nc1cnc(-c2ccccc2)s1 Cn1nccc1[*:1] O=C(NC[*:1])Nc1cnc(s1)-c1ccccc1
Cn1nccc1CNC(=O)Nc1cnc(-c2ccccc2)s1 Cn1nccc1C[*:1] O=C(Nc1cnc(s1)-c1ccccc1)N[*:1]
C=CCN1C[C@H](C(=O)Cl)CC1=O O=C(Cl)[*:1] C=CCN1C[C@H](CC1=O)[*:1]
C=CCN1C[C@H](C(=O)Cl)CC1=O C=CC[*:1] O=C(Cl)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(Nc2nnc(SCC(=O)N3CCC[C@@H](C)C3)s2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)CSc1nnc(N[*:1])s1
COc1ccc(OC)c([C@@H]2C=C3C(=NC(=O)c4c([O-])cc(C(F)(F)F)nc43)S2)c1 FC(F)(F)[*:1] COc1ccc(OC)c(c1)[C@@H]1C=C2C(=NC(=O)c3c([O-])cc(nc32)[*:1])S1
C[C@@H](NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)-n1ncn(C)c1=O)[*:1]
C[C@@H](NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)c1ccncc1 C[C@@H](c1ccncc1)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)N[*:1])c1=O
C[C@@H](NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)c1ccncc1 Cn1cnn(c1=O)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccncc1
C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)Cc1cccs1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[*:1])C(=O)N[C@H](C)Cc1cccs1
C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)[*:1]
C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)Cc1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)C[*:1]
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@H]3c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@@H]3[*:1]
Nc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1 O=C([O-])[*:1] Nc1ccc(cc1)C(=O)N[C@H]1CCCCC[C@@H]1[*:1]
CCC[NH+]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCC[NH+]1CCN(CC1)C(=O)c1cc(OC)c(cc1[*:1])OC
CCC[NH+]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 CCC[*:1] COc1cc(C(=O)N2CC[NH+](CC2)[*:1])c(cc1OC)[N+](=O)[O-]
CC(C)[C@@H](C)NC(=O)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O CC(C)[*:1] C[C@@H](NC(=O)c1cc2C(=O)N(CCn2n1)Cc1ccc(cc1)C(F)(F)F)[*:1]
CC(C)[C@@H](C)NC(=O)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O FC(F)(F)[*:1] CC(C)[C@@H](C)NC(=O)c1cc2C(=O)N(CCn2n1)Cc1ccc(cc1)[*:1]
Cc1cccc([C@@H](C)CNC(=O)[C@H](C)Sc2nncn2C)c1 Cc1cccc(c1)[*:1] C[C@H](Sc1nncn1C)C(=O)NC[C@H](C)[*:1]
Cc1cccc([C@@H](C)CNC(=O)[C@H](C)Sc2nncn2C)c1 Cn1cnnc1S[*:1] Cc1cccc(c1)[C@@H](C)CNC(=O)[C@H](C)[*:1]
Cc1cccc([C@@H](C)CNC(=O)[C@H](C)Sc2nncn2C)c1 Cn1cnnc1[*:1] Cc1cccc(c1)[C@@H](C)CNC(=O)[C@H](C)S[*:1]
NC(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 O=[N+]([O-])[*:1] NC(=O)N/N=C/c1ccc(cc1)Oc1ccc(cn1)[*:1]
NC(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 NC(=O)NN=C[*:1] O=[N+]([O-])c1ccc(nc1)Oc1ccc(cc1)[*:1]
CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1Cc2cc(F)ccc2O1 CC(C)(C)[*:1] N#C[C@@H](NC(=O)[C@H]1Cc2cc(F)ccc2O1)[*:1]
O=C(NC1CC1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F C1CC1[*:1] O=C(N[*:1])c1cc(ccc1F)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1
O=C(NC1CC1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F O=C(NC1CC1)[*:1] O=S1(=O)CC[C@H](C1)S(=O)(=O)c1ccc(F)c(c1)[*:1]
O=C(c1cccc(NCCOc2ccc(F)cc2)c1)N1CCc2ccccc21 Fc1ccc(cc1)[*:1] O=C(c1cccc(c1)NCCO[*:1])N1CCc2ccccc21
O=C(c1cccc(NCCOc2ccc(F)cc2)c1)N1CCc2ccccc21 Fc1ccc(cc1)OC[*:1] O=C(c1cccc(c1)NC[*:1])N1CCc2ccccc21
O=C(c1cccc(NCCOc2ccc(F)cc2)c1)N1CCc2ccccc21 Fc1ccc(cc1)O[*:1] O=C(c1cccc(c1)NCC[*:1])N1CCc2ccccc21
C=CCOc1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2CO)c1 C=CC[*:1] C[C@@H]1CCCN(C(=O)Nc2cccc(c2)O[*:1])[C@@H]1CO
C=CCOc1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2CO)c1 C=CCO[*:1] C[C@@H]1CCCN(C(=O)Nc2cccc(c2)[*:1])[C@@H]1CO
C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O c1cc2OCOc2cc1[*:1] C[C@]1(NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O)[*:1]
Cc1cc(NC[C@H](O)c2ccc(Cl)cc2)n2c(nc3ccccc32)c1C#N O[C@H](c1ccc(Cl)cc1)[*:1] Cc1cc(NC[*:1])n2c(nc3ccccc32)c1C#N
Cc1cc(NC[C@H](O)c2ccc(Cl)cc2)n2c(nc3ccccc32)c1C#N Clc1ccc(cc1)[*:1] Cc1cc(NC[C@H](O)[*:1])n2c(nc3ccccc32)c1C#N
Cc1ccc(O[C@@H]2CCN(C)C2=O)c(C[NH2+]CC(C)C)n1 CC(C)C[*:1] Cc1ccc(O[C@@H]2CCN(C)C2=O)c(C[NH2+][*:1])n1
Cc1ccc(O[C@@H]2CCN(C)C2=O)c(C[NH2+]CC(C)C)n1 CN1CC[C@H](C1=O)[*:1] Cc1ccc(O[*:1])c(C[NH2+]CC(C)C)n1
Cc1ccc(O[C@@H]2CCN(C)C2=O)c(C[NH2+]CC(C)C)n1 CC(C)[*:1] Cc1ccc(O[C@@H]2CCN(C)C2=O)c(C[NH2+]C[*:1])n1
N#Cc1c(NC(=O)COC(=O)c2cccc(I)c2)sc2c1CCCC2 Ic1cccc(c1)[*:1] N#Cc1c(NC(=O)COC(=O)[*:1])sc2CCCCc21
Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC(=O)N(C1)[*:1]
Cn1ncc2c(SCC(=O)Nc3nccs3)ncnc21 c1csc(n1)[*:1] Cn1ncc2c(ncnc21)SCC(=O)N[*:1]
FC(F)(F)c1ccc2sc(NCCc3nncn3C3CC3)nc2c1 C1CC1[*:1] FC(F)(F)c1ccc2sc(nc2c1)NCCc1nncn1[*:1]
FC(F)(F)c1ccc2sc(NCCc3nncn3C3CC3)nc2c1 FC(F)(F)[*:1] c1cc2sc(nc2cc1[*:1])NCCc1nncn1C1CC1
FC(F)(F)c1ccc2sc(NCCc3nncn3C3CC3)nc2c1 c1nnc(n1C1CC1)[*:1] FC(F)(F)c1ccc2sc(nc2c1)NCC[*:1]
CCCCc1nnc2n1N1C(=CS[C@@H]1c1c[nH]c3ccccc13)S2 CCCC[*:1] C1S[C@H](c2c[nH]c3ccccc23)N2C=1Sc1nnc(n12)[*:1]
CCCCc1nnc2n1N1C(=CS[C@@H]1c1c[nH]c3ccccc13)S2 CCC[*:1] C1S[C@H](c2c[nH]c3ccccc23)N2C=1Sc1nnc(C[*:1])n12
COc1ccccc1OCc1cc(C(=O)N2[C@@H](C)CC[C@H]2C)n[nH]1 COc1ccccc1[*:1] C[C@H]1CC[C@@H](C)N1C(=O)c1cc(CO[*:1])[nH]n1
CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 CCNC(=O)C[*:1] Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(CC2)[*:1])c(C)c1
CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 CCNC(=O)[*:1] Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(CC2)C[*:1])c(C)c1
O=C(c1cn(C2CCC([NH2+]Cc3cc4c(cc3Cl)OCO4)CC2)nn1)N1CCCC1 O=C(N1CCCC1)[*:1] Clc1cc2OCOc2cc1C[NH2+]C1CCC(CC1)n1cc(nn1)[*:1]
O=C(c1cn(C2CCC([NH2+]Cc3cc4c(cc3Cl)OCO4)CC2)nn1)N1CCCC1 Clc1cc2OCOc2cc1[*:1] O=C(c1cn(nn1)C1CCC(CC1)[NH2+]C[*:1])N1CCCC1
O=C([O-])c1csc(-c2cnc3ccccc3c2)c1 O=C([O-])[*:1] c1ccc2ncc(cc2c1)-c1cc(cs1)[*:1]
ClCCN1CCN(Cc2ccnc3ccccc23)CC1 ClCC[*:1] c1ccc2c(ccnc2c1)CN1CCN(CC1)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 O=C(Nc1ccccc1)[*:1] O=S(=O)(c1cccc2nsnc12)N1CCC[C@@H](C1)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1cccc2nsnc12
O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 c1cc(c2nsnc2c1)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1c(C(=O)N(C)CCOCC2CC2)nnn1-c1ccc(F)c(Cl)c1 C1CC1CO[*:1] Cc1c(nnn1-c1ccc(F)c(Cl)c1)C(=O)N(C)CC[*:1]
Cc1c(C(=O)N(C)CCOCC2CC2)nnn1-c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] Cc1c(nnn1[*:1])C(=O)N(C)CCOCC1CC1
Cc1c(C(=O)N(C)CCOCC2CC2)nnn1-c1ccc(F)c(Cl)c1 C1CC1COC[*:1] Cc1c(nnn1-c1ccc(F)c(Cl)c1)C(=O)N(C)C[*:1]
Cc1c(C(=O)N(C)CCOCC2CC2)nnn1-c1ccc(F)c(Cl)c1 C1CC1C[*:1] Cc1c(nnn1-c1ccc(F)c(Cl)c1)C(=O)N(C)CCO[*:1]
Cc1c(C(=O)N(C)CCOCC2CC2)nnn1-c1ccc(F)c(Cl)c1 C(C[*:1])OCC1CC1 Cc1c(nnn1-c1ccc(F)c(Cl)c1)C(=O)N(C)[*:1]
Cc1c(C(=O)N(C)CCOCC2CC2)nnn1-c1ccc(F)c(Cl)c1 C1CC1[*:1] Cc1c(nnn1-c1ccc(F)c(Cl)c1)C(=O)N(C)CCOC[*:1]
CCCCNc1ncnc2c1cnn2[C@@H]1CCCCO1 CCC[*:1] c1nc(NC[*:1])c2cnn(c2n1)[C@@H]1CCCCO1
CCCCNc1ncnc2c1cnn2[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] CCCCNc1ncnc2c1cnn2[*:1]
CCCCNc1ncnc2c1cnn2[C@@H]1CCCCO1 CCCCN[*:1] c1nc(c2cnn(c2n1)[C@@H]1CCCCO1)[*:1]
CCCCNc1ncnc2c1cnn2[C@@H]1CCCCO1 CCCC[*:1] c1nc(N[*:1])c2cnn(c2n1)[C@@H]1CCCCO1
Cc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1C C(=C[*:1])c1ccccc1 Cc1ccc(cc1C)C(=O)NC(=C[*:1])C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
Cc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)N/C(=C/C=C[*:1])C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
Cc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(/C(=C\C=C\c1ccccc1)NC(=O)[*:1])N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
Cc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1C Cc1ccc(cc1C)C(=O)N[*:1] O=C(C(=C/C=C/c1ccccc1)[*:1])N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc2c(c1)C(=O)CCC2 COc1ccccc1[*:1] C[C@H](C[*:1])N(C)C(=O)Nc1ccc2CCCC(=O)c2c1
COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc2c(c1)C(=O)CCC2 COc1ccccc1C[*:1] C[C@@H](N(C)C(=O)Nc1ccc2CCCC(=O)c2c1)[*:1]
Cn1ncc2c3ccccc3n(CCCC(=O)N3CCN(c4ccccc4F)CC3)c2c1=O Fc1ccccc1[*:1] Cn1ncc2c3ccccc3n(CCCC(=O)N3CCN(CC3)[*:1])c2c1=O
C=CCOc1cccc(NC(=O)N2CCC[C@@H](COCC)C2)c1 C=CC[*:1] CCOC[C@@H]1CCCN(C1)C(=O)Nc1cccc(c1)O[*:1]
C=CCOc1cccc(NC(=O)N2CCC[C@@H](COCC)C2)c1 CCOC[*:1] C=CCOc1cccc(c1)NC(=O)N1CCC[C@@H](C1)[*:1]
C=CCOc1cccc(NC(=O)N2CCC[C@@H](COCC)C2)c1 C=CCO[*:1] CCOC[C@@H]1CCCN(C1)C(=O)Nc1cccc(c1)[*:1]
C=CCOc1cccc(NC(=O)N2CCC[C@@H](COCC)C2)c1 CCO[*:1] C=CCOc1cccc(c1)NC(=O)N1CCC[C@H](C1)C[*:1]
Cc1cc(C)n(-c2nc(C)c(C)c(Oc3cccc(C(=O)[O-])c3)n2)n1 Cc1cc(C)n(n1)[*:1] Cc1nc(nc(Oc2cccc(c2)C(=O)[O-])c1C)[*:1]
Cc1cc(C)n(-c2nc(C)c(C)c(Oc3cccc(C(=O)[O-])c3)n2)n1 O=C([O-])[*:1] Cc1cc(C)n(n1)-c1nc(C)c(C)c(n1)Oc1cccc(c1)[*:1]
CC(=O)c1cc2c(cc1NC(=O)/C=C/C(=O)[O-])OCO2 CC(=O)[*:1] O=C([O-])/C=C/C(=O)Nc1cc2OCOc2cc1[*:1]
CC(=O)c1cc2c(cc1NC(=O)/C=C/C(=O)[O-])OCO2 O=C([O-])[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)C=C[*:1]
CC(=O)c1cc2c(cc1NC(=O)/C=C/C(=O)[O-])OCO2 O=C([O-])C=C[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)[*:1]
CCCn1nccc1NC(=O)c1nnn(-c2ccc(C)cc2)c1C Cc1ccc(cc1)[*:1] CCCn1nccc1NC(=O)c1nnn(c1C)[*:1]
CCCn1nccc1NC(=O)c1nnn(-c2ccc(C)cc2)c1C CCCn1nccc1[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N[*:1])c1C
CCCn1nccc1NC(=O)c1nnn(-c2ccc(C)cc2)c1C CCC[*:1] Cc1ccc(cc1)-n1nnc(C(=O)Nc2ccnn2[*:1])c1C
Cc1cc(C(=O)[O-])c2cc([C@H](N)C(F)(F)F)ccc2n1 O=C([O-])[*:1] Cc1cc(c2cc(ccc2n1)[C@H](N)C(F)(F)F)[*:1]
Cc1cc(C(=O)[O-])c2cc([C@H](N)C(F)(F)F)ccc2n1 FC(F)(F)[*:1] Cc1cc(C(=O)[O-])c2cc(ccc2n1)[C@H](N)[*:1]
Cc1cc(C(=O)[O-])c2cc([C@H](N)C(F)(F)F)ccc2n1 N[C@H](C(F)(F)F)[*:1] Cc1cc(C(=O)[O-])c2cc(ccc2n1)[*:1]
CSCCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1 CC(C)[*:1] CSCCc1ccc(cc1)NC(=O)[C@@H]1CCCN(C1)C(=O)NC[*:1]
CSCCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1 CSC[*:1] CC(C)CNC(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(cc1)C[*:1]
CSCCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1 CSCC[*:1] CC(C)CNC(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(cc1)[*:1]
CSCCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1 CC(C)C[*:1] CSCCc1ccc(cc1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1nnc(-c2ccccc2Br)o1 Brc1ccccc1[*:1] C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1nnc(o1)[*:1]
C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1nnc(-c2ccccc2Br)o1 NC(=O)[*:1] C[C@H]1C[C@@H](c2ccccc2N1Cc1nnc(o1)-c1ccccc1Br)[*:1]
COc1ccc(/C=C/C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1OC C1CO[C@H](C1)C[*:1] COc1ccc(/C=C/C(=O)N2CCN(CC2)[*:1])cc1OC
CCC(C)(C)OCCOc1ccc(CC#N)cc1 CCC(C)(C)[*:1] N#CCc1ccc(cc1)OCCO[*:1]
CCC(C)(C)OCCOc1ccc(CC#N)cc1 CCC(C)(C)O[*:1] N#CCc1ccc(cc1)OCC[*:1]
CCC(C)(C)OCCOc1ccc(CC#N)cc1 N#CC[*:1] CCC(C)(C)OCCOc1ccc(cc1)[*:1]
COc1ccc(/C(C)=N\N2CCN(c3ccccc3OC)CC2)cc1OC COc1ccccc1[*:1] COc1ccc(cc1OC)/C(C)=N\N1CCN(CC1)[*:1]
CC1CCN(C(=O)CSc2nnc3n2-c2sc4c(c2-c2ncnn2-3)CCCC4)CC1 CC1CCN(CC1)C(=O)C[*:1] c1nc2-c3c(sc4CCCCc43)-n3c(nnc3-n2n1)S[*:1]
CC1CCN(C(=O)CSc2nnc3n2-c2sc4c(c2-c2ncnn2-3)CCCC4)CC1 CC1CCN(CC1)C(=O)[*:1] c1nc2-c3c(sc4CCCCc43)-n3c(nnc3-n2n1)SC[*:1]
Cc1csc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)n1 Cc1csc(n1)[*:1] O=C(N[*:1])c1ccc(cc1)Cn1cc(Br)cn1
Cc1csc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)n1 Brc1cnn(c1)[*:1] Cc1csc(n1)NC(=O)c1ccc(cc1)C[*:1]
Cc1csc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)n1 Brc1cnn(c1)C[*:1] Cc1csc(n1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(/C=C/C(=O)N(CC(N)=O)C(C)C)cc1 NC(=O)C[*:1] Cc1ccc(/C=C/C(=O)N(C(C)C)[*:1])cc1
Cc1ccc(/C=C/C(=O)N(CC(N)=O)C(C)C)cc1 NC(=O)[*:1] Cc1ccc(/C=C/C(=O)N(C[*:1])C(C)C)cc1
Cc1ccc(/C=C/C(=O)N(CC(N)=O)C(C)C)cc1 CC(C)[*:1] Cc1ccc(/C=C/C(=O)N(CC(N)=O)[*:1])cc1
COc1ccc(Cl)cc1C(=O)/C=C/c1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] COc1ccc(Cl)cc1C(=O)/C=C/c1cnc(s1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 CS(=O)(=O)C[*:1] C[C@@H](N(C)Cc1c[nH]nc1-c1ccc2OCCOc2c1)[*:1]
C[C@@H](CS(C)(=O)=O)N(C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C)Cc1c[nH]nc1-c1ccc2OCCOc2c1
C[C@@H](NS(=O)(=O)/C=C\c1ccccc1)c1cc2ccccc2o1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)C=C[*:1])c1cc2ccccc2o1
Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C(C)(C)C)cc1 Cc1nccn1[*:1] C[C@H](NC(=O)N[C@@H](C)C(C)(C)C)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)N[C@@H](C)[*:1]
Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C(C)(C)C)cc1 C[C@@H](C(C)(C)C)[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)N[*:1]
Cc1ccc(CN(C(=O)c2ccco2)c2nc3nc(C)c(Cc4ccccc4)c([O-])n3n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN(C(=O)c1ccco1)c1nc2nc(C)c(C[*:1])c([O-])n2n1
Cc1ccc(CN(C(=O)c2ccco2)c2nc3nc(C)c(Cc4ccccc4)c([O-])n3n2)cc1 Cc1ccc(cc1)C[*:1] Cc1nc2nc(nn2c([O-])c1Cc1ccccc1)N(C(=O)c1ccco1)[*:1]
Cc1ccc(CN(C(=O)c2ccco2)c2nc3nc(C)c(Cc4ccccc4)c([O-])n3n2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CN(C(=O)[*:1])c1nc2nc(C)c(Cc3ccccc3)c([O-])n2n1
Cc1ccc(CN(C(=O)c2ccco2)c2nc3nc(C)c(Cc4ccccc4)c([O-])n3n2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)CN(C(=O)c1ccco1)c1nc2nc(C)c(c([O-])n2n1)[*:1]
Cc1ccc(CN(C(=O)c2ccco2)c2nc3nc(C)c(Cc4ccccc4)c([O-])n3n2)cc1 Cc1ccc(cc1)[*:1] Cc1nc2nc(nn2c([O-])c1Cc1ccccc1)N(C[*:1])C(=O)c1ccco1
CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1Cl Clc1ccccc1[*:1] CN(Cc1ccc(cc1)C(=O)NC1CC1)S(=O)(=O)[*:1]
CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1Cl O=C(NC1CC1)[*:1] CN(Cc1ccc(cc1)[*:1])S(=O)(=O)c1ccccc1Cl
CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1Cl C1CC1[*:1] CN(Cc1ccc(cc1)C(=O)N[*:1])S(=O)(=O)c1ccccc1Cl
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-c1ccco1
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 O=[N+]([O-])c1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-c1ccco1
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 c1coc(c1)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
C[C@H](Nc1ccc2nnnn2n1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ccc2nnnn2n1)C(c1ccccc1)[*:1]
O=C(C1CCN(c2nc3ccc(F)cc3s2)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] Fc1ccc2nc(sc2c1)N1CCC(CC1)[*:1]
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 NC(=O)C[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cn(nn1)[*:1]
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 NC(=O)[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cn(C[*:1])nn1
COC(=O)c1cc(OC)cc(OC)c1C1C(C#N)=C(C)NC(C)=C1C#N COC(=O)[*:1] COc1cc(OC)c(c(c1)[*:1])C1C(C#N)=C(C)NC(C)=C1C#N
Cc1csc(SCC(=O)N2CCSc3ccccc32)n1 Cc1csc(n1)[*:1] O=C(CS[*:1])N1CCSc2ccccc21
CC[C@H]([NH2+][C@@H](C)CSC(C)(C)C)[C@@H]1CCCO1 CC(C)(C)S[*:1] CC[C@H]([NH2+][C@@H](C)C[*:1])[C@@H]1CCCO1
CC[C@H]([NH2+][C@@H](C)CSC(C)(C)C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@H]([NH2+][C@@H](C)CSC(C)(C)C)[*:1]
CC[C@H]([NH2+][C@@H](C)CSC(C)(C)C)[C@@H]1CCCO1 CC(C)(C)[*:1] CC[C@H]([NH2+][C@@H](C)CS[*:1])[C@@H]1CCCO1
O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)c1cccc(F)c1)N(CCc1ccccc1)C[*:1]
O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)c1cccc(F)c1)N(CC[*:1])Cc1ccccc1
O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C([C@@H]1CC(=O)N(C1)c1cccc(F)c1)N(Cc1ccccc1)C[*:1]
O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N(CCc1ccccc1)Cc1ccccc1 Fc1cccc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N(CCc1ccccc1)Cc1ccccc1
O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@H](CN1c1cccc(F)c1)C(=O)N(CCc1ccccc1)[*:1]
O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)CC[*:1] O=C1C[C@H](CN1c1cccc(F)c1)C(=O)N(Cc1ccccc1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)CC2=O)cc1Cl O=S(=O)(NC[C@H]1CCCO1)[*:1] Cc1ccc(cc1Cl)N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)CC2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCO1)[C@H]1CC(=O)N(C1)[*:1]
COc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc(OC)c1C C1CC1[*:1] COc1cc(cc(OC)c1C)C(=O)NC[C@H]([NH+](C)C)[*:1]
CCOc1ncnc(Nc2cccc3cnccc23)c1N CCO[*:1] Nc1c(ncnc1[*:1])Nc1cccc2cnccc12
CCOC(=O)[C@H]1CCCCN1C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O c1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCCN1C(=O)C[C@]1(CC(=O)N(C)C1=O)c1ccc(cc1)[*:1]
CCOC(=O)[C@H]1CCCCN1C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O CCOC(=O)[*:1] CN1C(=O)C[C@](CC(=O)N2CCCC[C@@H]2[*:1])(C1=O)c1ccc(cc1)-c1ccccc1
C[NH+](C)[C@H](CNC(=O)Nc1cccnc1-n1cncn1)c1ccccc1 c1ncn(n1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1cccnc1[*:1])c1ccccc1
C[NH+](C)[C@H](CNC(=O)Nc1cccnc1-n1cncn1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1cccnc1-n1cncn1)[*:1]
CCc1ccc([C@H](C)N[C@@H](C)Cc2cc(C)n[nH]2)s1 Cc1cc([nH]n1)[*:1] CCc1ccc(s1)[C@H](C)N[C@@H](C)C[*:1]
CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 CNS(=O)(=O)[*:1] Cc1cc(C)cc(c1)NS(=O)(=O)c1cccc(c1)[*:1]
CCCn1nccc1NC(=O)c1cccc(F)c1Cl CCC[*:1] O=C(Nc1ccnn1[*:1])c1cccc(F)c1Cl
COc1ccccc1[C@@H](C)NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@@H](C)NC(=O)C[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(Cl)c(c1)NC(=O)[C@@H](C)N(S(C)(=O)=O)[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 COC(=O)[*:1] Cc1ccc(cc1)N([C@H](C)C(=O)Nc1cc(ccc1Cl)[*:1])S(C)(=O)=O
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 c1cc2OCOc2cc1C[*:1] Cc1c(oc2ccc3OC4(CCCCC4)CC(=O)c3c12)C(=O)N[*:1]
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 c1cc2OCOc2cc1[*:1] Cc1c(oc2ccc3OC4(CCCCC4)CC(=O)c3c12)C(=O)NC[*:1]
CC(C)(C)C(=O)NNC(=O)c1cc2ccccc2cc1OC(F)F FC(F)[*:1] CC(C)(C)C(=O)NNC(=O)c1cc2ccccc2cc1O[*:1]
CC(C)(C)C(=O)NNC(=O)c1cc2ccccc2cc1OC(F)F FC(F)O[*:1] CC(C)(C)C(=O)NNC(=O)c1cc2ccccc2cc1[*:1]
CC(C)(C)C(=O)NNC(=O)c1cc2ccccc2cc1OC(F)F CC(C)(C)[*:1] O=C(NNC(=O)[*:1])c1cc2ccccc2cc1OC(F)F
CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@@H](C1)[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)C[*:1] CN(C(=O)CNC(=O)N1CCC[C@H](C1)C(F)(F)F)[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] CN(C[*:1])C(=O)CNC(=O)N1CCC[C@H](C1)C(F)(F)F
NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1 NC(=O)[*:1] OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc(c1)[*:1]
COc1cc([C@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)ccc1O COc1cc(ccc1O)[*:1] Cc1cc(C)c2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@@H]1[*:1]
COc1cc([C@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)ccc1O c1cc(ccn1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nc2c(C)cc(C)cc2s1
COc1cc([C@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)ccc1O Cc1cc(C)c2nc(sc2c1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)c2ccncc2)=C([O-])C(=O)N1[*:1]
COc1cc([C@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)ccc1O O=C(c1ccncc1)[*:1] COc1cc(ccc1O)[C@H]1C(=C([O-])C(=O)N1c1nc2c(C)cc(C)cc2s1)[*:1]
C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nc2ccccc21 Cc1ccc(cc1)C[*:1] C=CCn1c(nc2ccccc21)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nc2ccccc21 C=CC[*:1] Cc1ccc(cc1)CNC(=O)CSc1nc2ccccc2n1[*:1]
C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nc2ccccc21 Cc1ccc(cc1)[*:1] C=CCn1c(nc2ccccc21)SCC(=O)NC[*:1]
O=C(CCCNC(=O)N1CC(O)=Nc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(CCCNC(=O)N1CC(O)=Nc2ccccc21)Nc1ccc(cc1)[*:1]
O=C(CCCNC(=O)N1CC(O)=Nc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCCNC(=O)N1CC(O)=Nc2ccccc21)Nc1ccc(cc1)O[*:1]
Cn1nccc1C(=O)N(Cc1ccccc1)c1nc2c(F)cccc2s1 c1ccc(cc1)C[*:1] Cn1nccc1C(=O)N(c1nc2c(F)cccc2s1)[*:1]
Cn1nccc1C(=O)N(Cc1ccccc1)c1nc2c(F)cccc2s1 c1ccc(cc1)[*:1] Cn1nccc1C(=O)N(C[*:1])c1nc2c(F)cccc2s1
Cn1nccc1C(=O)N(Cc1ccccc1)c1nc2c(F)cccc2s1 Cn1nccc1[*:1] O=C(N(Cc1ccccc1)c1nc2c(F)cccc2s1)[*:1]
Cc1noc(C)c1CC(=O)N(C)Cc1ccc(C(C)C)cc1 Cc1noc(C)c1[*:1] CC(C)c1ccc(cc1)CN(C)C(=O)C[*:1]
Cc1noc(C)c1CC(=O)N(C)Cc1ccc(C(C)C)cc1 CC(C)[*:1] Cc1noc(C)c1CC(=O)N(C)Cc1ccc(cc1)[*:1]
CC(C)C(=O)NCCC[NH2+][C@@H](C)C(C)(C)C CC(C)[*:1] C[C@H]([NH2+]CCCNC(=O)[*:1])C(C)(C)C
CC(C)C(=O)NCCC[NH2+][C@@H](C)C(C)(C)C CC(C)(C)[*:1] CC(C)C(=O)NCCC[NH2+][C@@H](C)[*:1]
Cc1ccc([C@H]2CCCN(C(=O)c3cscn3)C2)nc1 c1nc(cs1)[*:1] Cc1ccc(nc1)[C@H]1CCCN(C1)C(=O)[*:1]
CCOCc1cccc(NC(=O)C(=O)NCC2(O)CCCCCC2)c1 CCOC[*:1] O=C(NCC1(O)CCCCCC1)C(=O)Nc1cccc(c1)[*:1]
CCOCc1cccc(NC(=O)C(=O)NCC2(O)CCCCCC2)c1 OC1(CCCCCC1)[*:1] CCOCc1cccc(c1)NC(=O)C(=O)NC[*:1]
CCOCc1cccc(NC(=O)C(=O)NCC2(O)CCCCCC2)c1 CCO[*:1] O=C(NCC1(O)CCCCCC1)C(=O)Nc1cccc(c1)C[*:1]
C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1C[*:1]
Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccc(C(F)(F)F)c1 NS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)NCc1cccc(c1)C(F)(F)F)[*:1]
Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(cc1C(=O)NCc1cccc(c1)[*:1])S(N)(=O)=O
CC(=O)N[C@@H](CC(=O)N1CCC(Nc2ccccc2)CC1)c1ccc(Cl)cc1 c1ccc(cc1)N[*:1] CC(=O)N[C@@H](CC(=O)N1CCC(CC1)[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)N1CCC(Nc2ccccc2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCC(CC1)Nc1ccccc1)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCC(Nc2ccccc2)CC1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCC(CC1)N[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)N1CCC(Nc2ccccc2)CC1)c1ccc(Cl)cc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccc(Cl)cc1)[*:1])N1CCC(CC1)Nc1ccccc1
Cc1ccc([C@H]2c3c(ncn(N)c3=[NH2+])Oc3ccc4ccccc4c32)cc1 Cc1ccc(cc1)[*:1] Nn1cnc2Oc3ccc4ccccc4c3[C@H](c2c1=[NH2+])[*:1]
Cc1ccc(CC[C@H](O)[C@H](C)c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)CC[C@H](O)[C@H](C)[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(-c3ncc(C)o3)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)N(C)[C@H](C)[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(-c3ncc(C)o3)c2)cc1 Cc1cnc(o1)[*:1] Cc1ccc(cc1)[C@@H](C)N(C)C(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 Cc1ccccc1[*:1] C[C@@H]1C[C@@H](CN1C(=O)c1cc(F)ccc1[N+](=O)[O-])[*:1]
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] Cc1ccccc1[C@H]1C[C@@H](C)N(C1)C(=O)c1cc(F)ccc1[*:1]
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 c1ccc(cc1)[*:1] CCCOc1ccc(cc1)N1C(=O)[C@H]2ON([C@@H](c3ccccc3)[C@H]2C1=O)[*:1]
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 c1ccc(cc1)[*:1] CCCOc1ccc(cc1)N1C(=O)[C@H]2ON(c3ccccc3)[C@@H]([C@H]2C1=O)[*:1]
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 CCCOc1ccc(cc1)[*:1] O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1[*:1]
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 CCC[*:1] O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(cc1)O[*:1]
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 CCCO[*:1] O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(cc1)[*:1]
COC(=O)c1ccsc1NC(=O)C[C@@H]1S/C(=N\c2ncccn2)NC1=O c1cnc(nc1)[*:1] COC(=O)c1ccsc1NC(=O)C[C@@H]1SC(=N[*:1])NC1=O
COC(=O)c1ccsc1NC(=O)C[C@@H]1S/C(=N\c2ncccn2)NC1=O COC(=O)[*:1] O=C(C[C@@H]1S/C(=N\c2ncccn2)NC1=O)Nc1sccc1[*:1]
CCC[C@@H](O)CNC(=O)N[C@H](c1nccs1)C1CC1 C1CC1[*:1] CCC[C@@H](O)CNC(=O)N[C@H](c1nccs1)[*:1]
CCC[C@@H](O)CNC(=O)N[C@H](c1nccs1)C1CC1 CCC[C@@H](O)[*:1] O=C(NC[*:1])N[C@H](c1nccs1)C1CC1
CCC[C@@H](O)CNC(=O)N[C@H](c1nccs1)C1CC1 CCC[*:1] O=C(NC[C@H](O)[*:1])N[C@H](c1nccs1)C1CC1
CCC[C@@H](O)CNC(=O)N[C@H](c1nccs1)C1CC1 c1csc(n1)[*:1] CCC[C@@H](O)CNC(=O)N[C@H](C1CC1)[*:1]
CCC[C@@H](O)CNC(=O)N[C@H](c1nccs1)C1CC1 CCC[C@@H](O)C[*:1] O=C(N[C@H](c1nccs1)C1CC1)N[*:1]
CC(C)CCn1cc(C(=O)[O-])c(-c2ccoc2)n1 O=C([O-])[*:1] CC(C)CCn1cc(c(n1)-c1ccoc1)[*:1]
CC(C)CCn1cc(C(=O)[O-])c(-c2ccoc2)n1 c1cc(co1)[*:1] CC(C)CCn1cc(C(=O)[O-])c(n1)[*:1]
CC(C)CCn1cc(C(=O)[O-])c(-c2ccoc2)n1 CC(C)C[*:1] O=C([O-])c1cn(C[*:1])nc1-c1ccoc1
CC(C)CCn1cc(C(=O)[O-])c(-c2ccoc2)n1 CC(C)CC[*:1] O=C([O-])c1cn(nc1-c1ccoc1)[*:1]
CC(C)CCn1cc(C(=O)[O-])c(-c2ccoc2)n1 CC(C)[*:1] O=C([O-])c1cn(CC[*:1])nc1-c1ccoc1
Cc1cc(F)cc(-n2c(C)nc3cc(C(=O)[O-])ccc32)c1 O=C([O-])[*:1] Cc1cc(F)cc(c1)-n1c(C)nc2cc(ccc21)[*:1]
CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)c2ccco2)C1 CS(=O)(=O)[*:1] O=C(O[C@H]1CC[C@H](C1)[*:1])c1ccco1
CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)c2ccco2)C1 c1coc(c1)[*:1] CS(=O)(=O)[C@@H]1CC[C@@H](C1)OC(=O)[*:1]
CN(Cc1ncnn1C)c1ccc(S(=O)(=O)N2CCCCC2)cn1 Cn1ncnc1C[*:1] CN(c1ccc(cn1)S(=O)(=O)N1CCCCC1)[*:1]
CN(Cc1ncnn1C)c1ccc(S(=O)(=O)N2CCCCC2)cn1 Cn1ncnc1[*:1] CN(C[*:1])c1ccc(cn1)S(=O)(=O)N1CCCCC1
COc1ccc(/C=C(\C#N)C(=O)NCCc2cc(F)cc3c2OCOC3)cc1 COc1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)NCCc1cc(F)cc2COCOc12
c1coc(CN(Cc2ccon2)C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] c1coc(c1)CN(Cc1ccon1)C[*:1]
c1coc(CN(Cc2ccon2)C[C@H]2CCCO2)c1 c1cc(no1)[*:1] c1coc(c1)CN(C[C@H]1CCCO1)C[*:1]
c1coc(CN(Cc2ccon2)C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] c1coc(c1)CN(Cc1ccon1)[*:1]
c1coc(CN(Cc2ccon2)C[C@H]2CCCO2)c1 c1coc(c1)[*:1] c1cc(CN(C[C@H]2CCCO2)C[*:1])no1
c1coc(CN(Cc2ccon2)C[C@H]2CCCO2)c1 c1coc(c1)C[*:1] c1cc(CN(C[C@H]2CCCO2)[*:1])no1
c1coc(CN(Cc2ccon2)C[C@H]2CCCO2)c1 c1cc(C[*:1])no1 c1coc(c1)CN(C[C@H]1CCCO1)[*:1]
COC(=O)CN(C(C)C)S(=O)(=O)c1cc(N)c(Cl)cc1C COC(=O)C[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)N(C(C)C)[*:1]
COC(=O)CN(C(C)C)S(=O)(=O)c1cc(N)c(Cl)cc1C COC(=O)[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)N(C[*:1])C(C)C
COC(=O)CN(C(C)C)S(=O)(=O)c1cc(N)c(Cl)cc1C CC(C)[*:1] COC(=O)CN(S(=O)(=O)c1cc(N)c(Cl)cc1C)[*:1]
O=C(Nc1nc(-c2ccncc2)cs1)c1cnc(Cl)c(Cl)c1 c1cc(ccn1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cnc(Cl)c(Cl)c1
CCN(C(=O)Nc1cccc(C#N)c1)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCN(C(=O)Nc1cccc(C#N)c1)[*:1]
CCN(C(=O)Nc1cccc(C#N)c1)[C@@H](C)C(C)C CC(C)[*:1] CCN(C(=O)Nc1cccc(C#N)c1)[C@@H](C)[*:1]
CCCCOc1ccc(NC(=O)c2ccc(OC)cc2)cc1 CCCC[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1)O[*:1]
CCCCOc1ccc(NC(=O)c2ccc(OC)cc2)cc1 CCCCO[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CCCCOc1ccc(NC(=O)c2ccc(OC)cc2)cc1 CCC[*:1] COc1ccc(cc1)C(=O)Nc1ccc(cc1)OC[*:1]
CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(C)cc2N(C)C)s1 CN(C)[*:1] CCc1nc(C)c(s1)[C@H](C)N(C)C(=O)NCc1ccc(C)cc1[*:1]
CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(C)cc2N(C)C)s1 CCc1nc(C)c(s1)[*:1] Cc1ccc(CNC(=O)N(C)[C@@H](C)[*:1])c(c1)N(C)C
O=C(c1c[nH]cn1)N1CCC2=NN=C(C3(c4ccc(Cl)cc4)CCCC3)[C@H]2C1 Clc1ccc(cc1)[*:1] O=C(c1c[nH]cn1)N1CCC2=NN=C([C@H]2C1)C1(CCCC1)[*:1]
O=C(c1c[nH]cn1)N1CCC2=NN=C(C3(c4ccc(Cl)cc4)CCCC3)[C@H]2C1 c1nc(c[nH]1)[*:1] O=C(N1CCC2=NN=C([C@H]2C1)C1(CCCC1)c1ccc(Cl)cc1)[*:1]
COc1ccc(-c2csc(C3=C(N)N(CCc4ccccc4)CC3=O)n2)cc1OC c1ccc(cc1)CC[*:1] COc1ccc(cc1OC)-c1csc(n1)C1C(=O)CN(C=1N)[*:1]
COc1ccc(-c2csc(C3=C(N)N(CCc4ccccc4)CC3=O)n2)cc1OC COc1ccc(cc1OC)[*:1] NC1=C(C(=O)CN1CCc1ccccc1)c1nc(cs1)[*:1]
COc1ccc(-c2csc(C3=C(N)N(CCc4ccccc4)CC3=O)n2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)-c1csc(n1)C1C(=O)CN(C[*:1])C=1N
COc1ccc(-c2csc(C3=C(N)N(CCc4ccccc4)CC3=O)n2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1csc(n1)C1C(=O)CN(CC[*:1])C=1N
COC[C@H](O)CNc1ncnc(OC)c1N COC[C@H](O)[*:1] COc1ncnc(NC[*:1])c1N
COC[C@H](O)CNc1ncnc(OC)c1N COC[*:1] COc1ncnc(NC[C@@H](O)[*:1])c1N
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(O)cc2)N1C[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C1c2[nH]nc(c2[C@H](c2ccc(O)cc2)N1Cc1ccc2OCOc2c1)[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(O)cc2)N1[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 Oc1ccc(cc1)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](N1Cc1ccc2OCOc2c1)[*:1]
Fc1cc(Cl)cnc1N1CC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] Fc1cc(Cl)cnc1N1CC[C@H](C1)N[*:1]
O=C(Cc1noc(-c2csc([N+](=O)[O-])c2)n1)NCc1ccccc1 O=[N+]([O-])c1cc(cs1)[*:1] O=C(Cc1noc(n1)[*:1])NCc1ccccc1
O=C(Cc1noc(-c2csc([N+](=O)[O-])c2)n1)NCc1ccccc1 O=[N+]([O-])[*:1] O=C(Cc1noc(n1)-c1csc(c1)[*:1])NCc1ccccc1
O=C(Cc1noc(-c2csc([N+](=O)[O-])c2)n1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1noc(n1)-c1csc(c1)[N+](=O)[O-])N[*:1]
O=C(Cc1noc(-c2csc([N+](=O)[O-])c2)n1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1noc(n1)-c1csc(c1)[N+](=O)[O-])NC[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]1c1ccncc1 c1cc(ccn1)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]1[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]1c1ccncc1 Cc1nn(C)c(C)c1[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccncc1
Cn1cc([C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[N+](=O)[O-])c2ccccc21 O=C(c1ccccc1)[*:1] Cn1cc(c2ccccc21)[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[*:1]
Cn1cc([C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[N+](=O)[O-])c2ccccc21 O=[N+]([O-])[*:1] Cn1cc(c2ccccc21)[C@H](c1ccccc1)[C@H](C(=O)c1ccccc1)[*:1]
Cn1cc([C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[N+](=O)[O-])c2ccccc21 c1ccc(cc1)[*:1] Cn1cc(c2ccccc21)[C@H](c1ccccc1)[C@H](C(=O)[*:1])[N+](=O)[O-]
Cn1cc([C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[N+](=O)[O-])c2ccccc21 c1ccc(cc1)[*:1] Cn1cc(c2ccccc21)[C@H]([C@H](C(=O)c1ccccc1)[N+](=O)[O-])[*:1]
COc1ccsc1CN(Cc1ccccc1)C(=O)/C=C/C(=O)[O-] c1ccc(cc1)[*:1] COc1ccsc1CN(C[*:1])C(=O)/C=C/C(=O)[O-]
COc1ccsc1CN(Cc1ccccc1)C(=O)/C=C/C(=O)[O-] O=C([O-])[*:1] COc1ccsc1CN(Cc1ccccc1)C(=O)C=C[*:1]
COc1ccsc1CN(Cc1ccccc1)C(=O)/C=C/C(=O)[O-] COc1ccsc1[*:1] O=C([O-])/C=C/C(=O)N(Cc1ccccc1)C[*:1]
COc1ccsc1CN(Cc1ccccc1)C(=O)/C=C/C(=O)[O-] c1ccc(cc1)C[*:1] COc1ccsc1CN(C(=O)/C=C/C(=O)[O-])[*:1]
C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(OC(F)(F)F)c1)CC(=O)N2 FC(F)(F)Oc1cccc(c1)[*:1] C[C@H]1CCCCN1c1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(OC(F)(F)F)c1)CC(=O)N2 FC(F)(F)O[*:1] C[C@H]1CCCCN1c1nc2NC(=O)C[C@H](C(=O)Nc3cccc(c3)[*:1])c2c(=O)[nH]1
C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(OC(F)(F)F)c1)CC(=O)N2 FC(F)(F)[*:1] C[C@H]1CCCCN1c1nc2NC(=O)C[C@H](C(=O)Nc3cccc(c3)O[*:1])c2c(=O)[nH]1
COCC(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] COCC(=O)N1CCC[C@@H]1c1cccc(n1)[*:1]
COCC(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 COC[*:1] O=C(N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)[*:1]
COCC(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] COCC(=O)N1CCC[C@@H]1c1cccc(C[*:1])n1
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccccc2)cc1 CC[C@@H](C)[*:1] O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc(cc1)-c1ccccc1)O[*:1]
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(cc1)[*:1]
CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] CC[C@](C)(COc1ncccc1Cl)[NH2+]C[*:1]
CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccnc(Cl)c1 Clc1cccnc1[*:1] CC[C@](C)(CO[*:1])[NH2+]Cc1ccnc(Cl)c1
CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCCC[C@H]1[NH3+] Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)[C@H]1CCCCC[C@H]1[NH3+]
Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN2S(C)(=O)=O)no1 Cc1cc(no1)[*:1] C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)N[*:1]
O=C(Nc1ccccc1)[C@@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Sc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)[C@@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2S[*:1]
O=C(Nc1ccccc1)[C@@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Sc1ccccc1 c1ccc(cc1)S[*:1] O=C(Nc1ccccc1)[C@@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2[*:1]
O=C(Nc1ccccc1)[C@@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Sc1ccccc1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Sc1ccccc1
COc1cccc2c1OC[C@H](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)C2 c1coc(c1)[*:1] COc1cccc2C[C@H](COc21)NC(=O)NC[C@H]([NH+](C)C)[*:1]
COc1ccc(CN2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC N#Cc1nccnc1[*:1] COc1ccc(cc1OC)CN1CCN(C[C@H]1C)[*:1]
C[C@@H]1C[C@H](NC(=O)c2ccccc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)[*:1]
C[C@@H]1C[C@H](NC(=O)c2ccccc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)c1ccccc1
BrC1=C[C@@H](c2noc(CSc3ncn[nH]3)n2)SC1 c1n[nH]c(n1)[*:1] BrC1=C[C@H](SC1)c1noc(CS[*:1])n1
BrC1=C[C@@H](c2noc(CSc3ncn[nH]3)n2)SC1 c1n[nH]c(n1)S[*:1] BrC1=C[C@H](SC1)c1noc(C[*:1])n1
Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1C(=O)NC(C)C N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)NC(C)C)NC(=O)CN[*:1]
Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)CNc1ccc(C#N)cc1
Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1C(=O)NC(C)C CC(C)[*:1] Cc1ccc(cc1C(=O)N[*:1])NC(=O)CNc1ccc(C#N)cc1
Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(CNC(N)=O)cc3)c2c1 NC(=O)NC[*:1] Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(cc3)[*:1])c2c1
Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(CNC(N)=O)cc3)c2c1 NC(=O)N[*:1] Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(cc3)C[*:1])c2c1
O=C(Cc1ccc[nH]1)NCC1(c2ccc3c(c2)OCO3)CCCCC1 c1c[nH]c(c1)[*:1] O=C(C[*:1])NCC1(CCCCC1)c1ccc2OCOc2c1
O=C(Cc1ccc[nH]1)NCC1(c2ccc3c(c2)OCO3)CCCCC1 c1c[nH]c(c1)C[*:1] O=C(NCC1(CCCCC1)c1ccc2OCOc2c1)[*:1]
O=C(Cc1c(F)cccc1Cl)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(Cc1c(F)cccc1Cl)N(Cc1cccs1)[*:1]
O=C(Cc1c(F)cccc1Cl)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)[*:1] O=C(Cc1c(F)cccc1Cl)N(C[C@@H]1CCCO1)C[*:1]
O=C(Cc1c(F)cccc1Cl)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)C[*:1] O=C(Cc1c(F)cccc1Cl)N(C[C@@H]1CCCO1)[*:1]
O=C(Cc1c(F)cccc1Cl)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(Cc1c(F)cccc1Cl)N(Cc1cccs1)C[*:1]
O=C(Cc1c(F)cccc1Cl)N(Cc1cccs1)C[C@@H]1CCCO1 Fc1cccc(Cl)c1[*:1] O=C(C[*:1])N(Cc1cccs1)C[C@@H]1CCCO1
CCONC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O CCONC(=O)[*:1] CC(C)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
CCONC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O CC(C)[*:1] CCONC(=O)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
COc1ccc(CC[NH+]=C(N(C)C)N(C)C)cc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])CC[NH+]=C(N(C)C)N(C)C
C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccc2CCCc2c1)n1nnc(n1)[*:1]
Cc1nc2n(n1)C[C@@H](NC(=O)c1cn(C)nc1C(C)(C)C)CC2 CC(C)(C)[*:1] Cc1nc2CC[C@@H](Cn2n1)NC(=O)c1cn(C)nc1[*:1]
C[C@@H](NC(=O)NCCc1ccccn1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](NC(=O)NCCc1ccccn1)[*:1]
C[C@@H](NC(=O)NCCc1ccccn1)c1cnn(C)c1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)NCC[*:1])c1cnn(C)c1
Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC([NH+](C)C)CC1 CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N1CCC(CC1)[NH+](C)C)[*:1]
CC[C@H](C)[C@H]1Nc2c(ccc(F)c2F)NC1=O CC[C@H](C)[*:1] O=C1Nc2ccc(F)c(F)c2N[C@@H]1[*:1]
Cc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccccc1NC(=O)N1CCC[C@H]1[*:1]
COc1ccc(-c2cc(-c3cccc(F)c3)nc(N)n2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)-c1cc(nc(N)n1)[*:1]
Cc1cc(C)n2nc(C)c(C(=O)NCc3cc(C)oc3C)c2n1 Cc1cc(c(C)o1)[*:1] Cc1cc(C)n2nc(C)c(C(=O)NC[*:1])c2n1
C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nc(C#N)c(NCc4cccnc4)o3)cc2)C1 c1cncc(c1)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)-c1nc(C#N)c(NC[*:1])o1
C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nc(C#N)c(NCc4cccnc4)o3)cc2)C1 c1cncc(c1)CN[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)-c1nc(C#N)c(o1)[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nc(C#N)c(NCc4cccnc4)o3)cc2)C1 c1cncc(c1)C[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)-c1nc(C#N)c(N[*:1])o1
C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nc(C#N)c(NCc4cccnc4)o3)cc2)C1 C[C@@H]1CCCN(C1)S(=O)(=O)[*:1] N#Cc1nc(oc1NCc1cccnc1)-c1ccc(cc1)[*:1]
C[C@@H]1CC[C@]2(C[NH+]=C(N)N2C2CCCC2)[C@H](C)C1 C1CCC(C1)[*:1] C[C@@H]1CC[C@]2(C[NH+]=C(N)N2[*:1])[C@H](C)C1
Cc1cc(C)c2nc(N(C[C@H]3CCCO3)C(=O)C3CC3)sc2c1 C1CC1[*:1] Cc1cc(C)c2nc(sc2c1)N(C[C@H]1CCCO1)C(=O)[*:1]
Cc1cc(C)c2nc(N(C[C@H]3CCCO3)C(=O)C3CC3)sc2c1 C1CO[C@H](C1)C[*:1] Cc1cc(C)c2nc(sc2c1)N(C(=O)C1CC1)[*:1]
Cc1cc(C)c2nc(N(C[C@H]3CCCO3)C(=O)C3CC3)sc2c1 C1CO[C@H](C1)[*:1] Cc1cc(C)c2nc(sc2c1)N(C[*:1])C(=O)C1CC1
C[NH+](CCn1cnnc1)Cc1ccc(-n2cnc3ccccc32)cc1 c1nncn1[*:1] C[NH+](CC[*:1])Cc1ccc(cc1)-n1cnc2ccccc21
CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NC2CC2)C1=O O=C(NC1CC1)[*:1] CC[C@H]1Oc2ccc(C)cc2N(C[*:1])C1=O
CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NC2CC2)C1=O O=C(C[*:1])NC1CC1 CC[C@H]1Oc2ccc(C)cc2N(C1=O)[*:1]
CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NC2CC2)C1=O C1CC1[*:1] CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N[*:1])C1=O
N#Cc1ccc(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c(F)c1 C1CC1[*:1] N#Cc1ccc(c(F)c1)N1CC[C@H]2[C@H](CCC(=O)N2[*:1])C1
Cc1c[nH]c(Cn2cnc(-c3ccccc3)c2-c2cnn(C)c2)c(C)c1=O Cn1cc(cn1)[*:1] Cc1c[nH]c(Cn2cnc(-c3ccccc3)c2[*:1])c(C)c1=O
Cc1c[nH]c(Cn2cnc(-c3ccccc3)c2-c2cnn(C)c2)c(C)c1=O Cc1c[nH]c(c(C)c1=O)[*:1] Cn1cc(cn1)-c1c(ncn1C[*:1])-c1ccccc1
Cc1c[nH]c(Cn2cnc(-c3ccccc3)c2-c2cnn(C)c2)c(C)c1=O c1ccc(cc1)[*:1] Cc1c[nH]c(Cn2cnc(c2-c2cnn(C)c2)[*:1])c(C)c1=O
CC(=O)c1cc2c(cc1NC(=O)C[NH+](C)CCc1ccccc1)OCO2 c1ccc(cc1)CC[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)C[NH+](C)[*:1]
CC(=O)c1cc2c(cc1NC(=O)C[NH+](C)CCc1ccccc1)OCO2 CC(=O)[*:1] C[NH+](CCc1ccccc1)CC(=O)Nc1cc2OCOc2cc1[*:1]
CC(=O)c1cc2c(cc1NC(=O)C[NH+](C)CCc1ccccc1)OCO2 c1ccc(cc1)[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)C[NH+](C)CC[*:1]
CC(=O)c1cc2c(cc1NC(=O)C[NH+](C)CCc1ccccc1)OCO2 c1ccc(cc1)C[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)C[NH+](C)C[*:1]
CCC(=O)Nc1ccc([C@H](C)NC(=O)N2C[C@H](C)O[C@@H](CC)C2)cc1 CCC(=O)N[*:1] CC[C@H]1CN(C[C@H](C)O1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1oc2ccc(F)cc2c1C CC(C)C[*:1] COC(=O)[C@@H](NC(=O)c1oc2ccc(F)cc2c1C)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1oc2ccc(F)cc2c1C CC(C)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)c1oc2ccc(F)cc2c1C
COC(=O)[C@@H](CC(C)C)NC(=O)c1oc2ccc(F)cc2c1C COC(=O)[*:1] Cc1c(oc2ccc(F)cc12)C(=O)N[C@H](CC(C)C)[*:1]
O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCOCC1 c1csc(c1)[*:1] O=C([C@H]1CCCN(C1)S(=O)(=O)[*:1])N1CCOCC1
COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)N1C(=O)[C@@H]2ON(c3ccccc3C)[C@@H]([C@H]2C1=O)[*:1]
COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1ccccc1N1O[C@H]2C(=O)N(C(=O)[C@@H]2[C@@H]1c1ccc(F)cc1)[*:1]
COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 COC(=O)[*:1] Cc1ccccc1N1O[C@H]2C(=O)N(C(=O)[C@@H]2[C@@H]1c1ccc(F)cc1)c1ccc(cc1)[*:1]
COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 Cc1ccccc1[*:1] COC(=O)c1ccc(cc1)N1C(=O)[C@@H]2ON([C@@H](c3ccc(F)cc3)[C@H]2C1=O)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 CC(=O)NC[*:1] C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 CC(=O)N[*:1] C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C1)C[*:1]
CC1=C2[C@H](N=N1)NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC1N=N[C@@H]2NC(=O)C[C@@H](C=12)c1ccc(cc1)[*:1]
Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2cccc(F)c2)CSC3)c1 Cc1cc(C)cc(c1)[*:1] O=C(Nc1c2CSCc2nn1[*:1])c1cccc(F)c1
Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2cccc(F)c2)CSC3)c1 Fc1cccc(c1)[*:1] Cc1cc(C)cc(c1)-n1nc2CSCc2c1NC(=O)[*:1]
CN(Cc1cc(C#N)ccc1F)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cc(C#N)ccc1F)C(=O)N[*:1]
Cc1noc(C)c1[C@H](C)Nc1ccnc(C(N)=O)c1 NC(=O)[*:1] Cc1noc(C)c1[C@H](C)Nc1ccnc(c1)[*:1]
CNS(=O)(=O)c1cc(NC(=O)c2cn3cccnc3n2)ccc1C CNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cn2cccnc2n1
COc1ccc(CC(=O)NCC#CCOc2cccc3ccccc23)cc1 COc1ccc(cc1)C[*:1] O=C(NCC#CCOc1cccc2ccccc12)[*:1]
COc1ccc(CC(=O)NCC#CCOc2cccc3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])NCC#CCOc1cccc2ccccc12
Cc1cccc(N2CCN(C(=O)Cc3csc(-c4cccc(F)c4)n3)[C@@H](C)C2)[nH+]1 Fc1cccc(c1)[*:1] Cc1cccc([nH+]1)N1CCN(C(=O)Cc2csc(n2)[*:1])[C@@H](C)C1
CC1(C)CCCN1C(=O)NCCNS(C)(=O)=O CS(=O)(=O)N[*:1] CC1(C)CCCN1C(=O)NCC[*:1]
C[C@@H]([NH2+]C1(CNC(=O)c2cc[n+]([O-])cc2)CCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]C1(CCCC1)CNC(=O)c1cc[n+]([O-])cc1)[*:1]
C[C@@H]([NH2+]C1(CNC(=O)c2cc[n+]([O-])cc2)CCCC1)c1ccccc1 [O-][n+]1ccc(cc1)[*:1] C[C@@H]([NH2+]C1(CCCC1)CNC(=O)[*:1])c1ccccc1
C[C@@H]([NH2+]C1(CNC(=O)c2cc[n+]([O-])cc2)CCCC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NCC1(CCCC1)[NH2+][*:1])c1cc[n+]([O-])cc1
CC(C)c1nc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cs1 CC(C)[*:1] O=C(c1ccccc1F)N1CCC(CC1)[NH2+]Cc1csc(n1)[*:1]
CC(C)c1nc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cs1 Fc1ccccc1[*:1] CC(C)c1nc(cs1)C[NH2+]C1CCN(CC1)C(=O)[*:1]
CC(C)c1nc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cs1 CC(C)c1nc(cs1)[*:1] O=C(c1ccccc1F)N1CCC(CC1)[NH2+]C[*:1]
CCCC1(CCC)NC(=O)N(Cc2nc(N)nc(N(C)C)n2)C1=O CCC[*:1] CCCC1(NC(=O)N(Cc2nc(N)nc(n2)N(C)C)C1=O)[*:1]
CCCC1(CCC)NC(=O)N(Cc2nc(N)nc(N(C)C)n2)C1=O CN(C)[*:1] CCCC1(CCC)NC(=O)N(Cc2nc(N)nc(n2)[*:1])C1=O
CCOc1ccc2c(=O)cc(-c3ccccc3C(=O)[O-])oc2c1OCC O=C([O-])[*:1] CCOc1ccc2c(=O)cc(oc2c1OCC)-c1ccccc1[*:1]
CCOc1ccc2c(=O)cc(-c3ccccc3C(=O)[O-])oc2c1OCC CCO[*:1] CCOc1ccc2c(=O)cc(oc2c1[*:1])-c1ccccc1C(=O)[O-]
CCOc1ccc2c(=O)cc(-c3ccccc3C(=O)[O-])oc2c1OCC CCO[*:1] CCOc1c(ccc2c(=O)cc(oc12)-c1ccccc1C(=O)[O-])[*:1]
CC(C)Cn1ccnc(NCc2ccc(S(=O)(=O)N(C)C)cc2)c1=O CC(C)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)CNc1nccn(C[*:1])c1=O
CC(C)Cn1ccnc(NCc2ccc(S(=O)(=O)N(C)C)cc2)c1=O CN(C)S(=O)(=O)[*:1] CC(C)Cn1ccnc(NCc2ccc(cc2)[*:1])c1=O
CC(C)Cn1ccnc(NCc2ccc(S(=O)(=O)N(C)C)cc2)c1=O CC(C)C[*:1] CN(C)S(=O)(=O)c1ccc(cc1)CNc1nccn(c1=O)[*:1]
CSc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 FC(F)[*:1] CSc1ccc(cc1)C[NH2+][C@@H](C)c1ccc(cc1)O[*:1]
CSc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 FC(F)O[*:1] CSc1ccc(cc1)C[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc(C#N)cc1 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)Oc1ccc(C#N)cc1
C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(nc1)[*:1]
CC(C)n1nc(O)c2c(-c3cccc(OC(F)F)c3)c3c(nc21)[nH]c(=O)n3C FC(F)O[*:1] CC(C)n1nc(O)c2c(-c3cccc(c3)[*:1])c3c(nc21)[nH]c(=O)n3C
CC(C)n1nc(O)c2c(-c3cccc(OC(F)F)c3)c3c(nc21)[nH]c(=O)n3C CC(C)[*:1] Cn1c(=O)[nH]c2nc3c(c(O)nn3[*:1])c(-c3cccc(c3)OC(F)F)c21
CC(C)n1nc(O)c2c(-c3cccc(OC(F)F)c3)c3c(nc21)[nH]c(=O)n3C FC(F)[*:1] CC(C)n1nc(O)c2c(-c3cccc(c3)O[*:1])c3c(nc21)[nH]c(=O)n3C
Cc1cc(C(=O)NCc2ccccn2)sc1C#CCCO OCC[*:1] Cc1cc(sc1C#C[*:1])C(=O)NCc1ccccn1
Cc1cc(C(=O)NCc2ccccn2)sc1C#CCCO c1ccc(C[*:1])nc1 Cc1cc(sc1C#CCCO)C(=O)N[*:1]
Cc1cc(C(=O)NCc2ccccn2)sc1C#CCCO OCCC#C[*:1] Cc1cc(sc1[*:1])C(=O)NCc1ccccn1
Cc1cc(C(=O)NCc2ccccn2)sc1C#CCCO c1ccc(nc1)[*:1] Cc1cc(sc1C#CCCO)C(=O)NC[*:1]
C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 CS(=O)(=O)C[*:1] C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(CC1)[*:1]
C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 CS(=O)(=O)[*:1] C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(CC1)C[*:1]
O=S(=O)(c1ccc(Br)cc1)N1CCN(C2CC2)C[C@@H]1c1ccccc1 Brc1ccc(cc1)[*:1] O=S(=O)(N1CCN(C[C@@H]1c1ccccc1)C1CC1)[*:1]
O=S(=O)(c1ccc(Br)cc1)N1CCN(C2CC2)C[C@@H]1c1ccccc1 C1CC1[*:1] O=S(=O)(c1ccc(Br)cc1)N1CCN(C[C@@H]1c1ccccc1)[*:1]
O=S(=O)(c1ccc(Br)cc1)N1CCN(C2CC2)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(Br)cc1)N1CCN(C[C@H]1[*:1])C1CC1
CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 O=S(=O)(c1ccccc1)[*:1] CCOC(=O)C1=C(C[*:1])NC(=O)N[C@@H]1c1cccc(Cl)c1
CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(CS(=O)(=O)[*:1])NC(=O)N[C@@H]1c1cccc(Cl)c1
CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 CCOC(=O)[*:1] O=C1NC(CS(=O)(=O)c2ccccc2)=C([C@H](N1)c1cccc(Cl)c1)[*:1]
CCc1ccccc1NC(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1 CCc1ccccc1[*:1] O=C(CN1CC[NH+](CC1)C[C@H]1CCOC1)N[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCCn1ccnc1 c1cn(cn1)CCC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCCn1ccnc1 c1cn(cn1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCC[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCCn1ccnc1 c1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](N1CCCn1ccnc1)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCCn1ccnc1 c1cn(cn1)CC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1C[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCCn1ccnc1 c1cn(cn1)C[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CC[*:1]
Cc1n[nH]c2c1[C@@H](c1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1)C(C#N)=C(N)O2 Brc1ccc(cc1)CO[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@H](c3cc(ccc3[*:1])[N+](=O)[O-])c12
Cc1n[nH]c2c1[C@@H](c1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1)C(C#N)=C(N)O2 Brc1ccc(cc1)[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@H](c3cc(ccc3OC[*:1])[N+](=O)[O-])c12
Cc1n[nH]c2c1[C@@H](c1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1)C(C#N)=C(N)O2 O=[N+]([O-])[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@H](c3cc(ccc3OCc3ccc(Br)cc3)[*:1])c12
Cc1n[nH]c2c1[C@@H](c1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1)C(C#N)=C(N)O2 Brc1ccc(cc1)C[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@H](c3cc(ccc3O[*:1])[N+](=O)[O-])c12
Cc1sc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)nc1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O
CC(C)c1csc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)n1 O=[N+]([O-])[*:1] CC(C)c1csc(n1)NC(=O)c1n[nH]c2ccc(cc12)[*:1]
CC(C)c1csc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)n1 CC(C)[*:1] O=C(Nc1nc(cs1)[*:1])c1n[nH]c2ccc(cc12)[N+](=O)[O-]
CC(C)(C)n1ncc2c(=O)[nH]c(N3CCC[NH+](C4CCOCC4)CC3)nc21 CC(C)(C)[*:1] O=c1[nH]c(nc2c1cnn2[*:1])N1CCC[NH+](CC1)C1CCOCC1
CC(C)(C)n1ncc2c(=O)[nH]c(N3CCC[NH+](C4CCOCC4)CC3)nc21 C1CC(CCO1)[*:1] CC(C)(C)n1ncc2c(=O)[nH]c(nc21)N1CCC[NH+](CC1)[*:1]
CCOc1ccc2c(c1)CN(CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)CC2 CCO[*:1] O=C1c2cccc(c2C(=O)N1CN1CCc2ccc(cc2C1)[*:1])[N+](=O)[O-]
CCOc1ccc2c(c1)CN(CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)CC2 O=[N+]([O-])[*:1] CCOc1ccc2CCN(Cc2c1)CN1C(=O)c2cccc(c2C1=O)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H](C(=O)NC4CC4)C3)cc2)cc1 C1CC1[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H](C(=O)NC4CC4)C3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(NC1CC1)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H](C(=O)NC4CC4)C3)cc2)cc1 O=C(NC1CC1)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)[*:1]
O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 O=C(c1ccccc1)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1COc2ccccc2O1
O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)[*:1])[C@H]1COc2ccccc2O1
O=C([O-])c1cc2nc(-c3ccccc3)cc(C(=O)[O-])n2n1 c1ccc(cc1)[*:1] O=C([O-])c1cc2nc(cc(C(=O)[O-])n2n1)[*:1]
O=C([O-])c1cc2nc(-c3ccccc3)cc(C(=O)[O-])n2n1 O=C([O-])[*:1] O=C([O-])c1cc2nc(cc(n2n1)[*:1])-c1ccccc1
O=C([O-])c1cc2nc(-c3ccccc3)cc(C(=O)[O-])n2n1 O=C([O-])[*:1] O=C([O-])c1cc(nc2cc(nn12)[*:1])-c1ccccc1
CC(C)CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)c1ccc(Cl)c(c1)S(C)(=O)=O
CC(C)CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 CC(C)CC[*:1] C[C@@H](NC(=O)c1ccc(Cl)c(c1)S(C)(=O)=O)[*:1]
CC(C)CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)c1ccc(Cl)c(c1)S(C)(=O)=O
CC(C)CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 CC(C)CC[C@@H](C)[*:1] CS(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
CC(C)CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CC(C)CC[C@@H](C)NC(=O)c1ccc(Cl)c(c1)[*:1]
Cc1c[nH]c(=O)n1-c1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 Cc1c[nH]c(=O)n1[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1nc(S[C@@H](C(=O)NCc2ccccc2F)C(C)C)oc1C Fc1ccccc1[*:1] Cc1nc(oc1C)S[C@@H](C(=O)NC[*:1])C(C)C
Cc1nc(S[C@@H](C(=O)NCc2ccccc2F)C(C)C)oc1C Cc1nc(oc1C)[*:1] CC(C)[C@@H](S[*:1])C(=O)NCc1ccccc1F
Cc1nc(S[C@@H](C(=O)NCc2ccccc2F)C(C)C)oc1C CC(C)[*:1] Cc1nc(oc1C)S[C@@H](C(=O)NCc1ccccc1F)[*:1]
C[C@H](c1ccccc1)S(=O)(=O)CC(=O)N1CCCc2ccccc21 c1ccc(cc1)[*:1] C[C@H](S(=O)(=O)CC(=O)N1CCCc2ccccc21)[*:1]
Cc1nc(-c2ccc(CCNC(=O)[C@@H]3Cc4ccccc4C(=O)O3)s2)cs1 Cc1nc(cs1)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)NCCc1ccc(s1)[*:1]
Cn1ncc2c(N3CCN(C(=O)c4cccc(F)c4)CC3)ncnc21 Fc1cccc(c1)[*:1] Cn1ncc2c(ncnc21)N1CCN(CC1)C(=O)[*:1]
O=C(NC[C@H]1CCN(c2ccccc2)C1)[C@H]1CC=CCC1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCN(C1)[*:1])[C@H]1CC=CCC1
CC(C)NC(=O)c1ccc(N[C@@H]2CCCCC2(C)C)cc1 CC(C)NC(=O)[*:1] CC1(C)CCCC[C@H]1Nc1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccc(N[C@@H]2CCCCC2(C)C)cc1 CC(C)[*:1] CC1(C)CCCC[C@H]1Nc1ccc(cc1)C(=O)N[*:1]
C[C@H]1Cc2ccc(-c3cc(COC(=O)[C@@H]4CCC(=O)N4)no3)cc2O1 O=C1CC[C@H](N1)[*:1] C[C@H]1Cc2ccc(cc2O1)-c1cc(COC(=O)[*:1])no1
CNC(=O)c1ccc(CS(=O)(=O)c2nccn2-c2cccc(C)c2)cc1 CNC(=O)[*:1] Cc1cccc(c1)-n1ccnc1S(=O)(=O)Cc1ccc(cc1)[*:1]
CNC(=O)c1ccc(CS(=O)(=O)c2nccn2-c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CNC(=O)c1ccc(cc1)CS(=O)(=O)c1nccn1[*:1]
COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4cc(C)ccn4)cc3C2=O)cc1OC Cc1ccnc(c1)NC(=O)[*:1] COc1ccc(cc1OC)CCN1C(=O)c2ccc(cc2C1=O)[*:1]
COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4cc(C)ccn4)cc3C2=O)cc1OC COc1ccc(cc1OC)C[*:1] Cc1ccnc(c1)NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4cc(C)ccn4)cc3C2=O)cc1OC Cc1ccnc(c1)[*:1] COc1ccc(cc1OC)CCN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4cc(C)ccn4)cc3C2=O)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccnc(c1)NC(=O)c1ccc2C(=O)N(CC[*:1])C(=O)c2c1
C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N1CCCCCC1 CC(C)(C)[*:1] C[C@H](NC(=O)[*:1])C(=O)OCC(=O)N1CCCCCC1
C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)N1CCCCCC1 CC(C)(C)C(=O)N[*:1] C[C@H](C(=O)OCC(=O)N1CCCCCC1)[*:1]
C[C@@H](C(=O)NC1CCN(C(=O)c2ccoc2)CC1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)NC1CCN(CC1)C(=O)c1ccoc1)[*:1]
C[C@@H](C(=O)NC1CCN(C(=O)c2ccoc2)CC1)n1cccn1 c1cc(co1)[*:1] C[C@@H](C(=O)NC1CCN(CC1)C(=O)[*:1])n1cccn1
N#Cc1c(NC(=O)CSc2nc([O-])c(-c3ccccc3)c(=O)[nH]2)sc2c1CCCC2 c1ccc(cc1)[*:1] N#Cc1c(NC(=O)CSc2nc([O-])c(c(=O)[nH]2)[*:1])sc2CCCCc21
Cc1noc(COC(=O)[C@H](C)NC(=O)c2ccccc2)n1 Cc1noc(C[*:1])n1 C[C@H](NC(=O)c1ccccc1)C(=O)O[*:1]
Cc1noc(COC(=O)[C@H](C)NC(=O)c2ccccc2)n1 Cc1noc(n1)[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)OC[*:1]
Cc1noc(COC(=O)[C@H](C)NC(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(COC(=O)[C@H](C)NC(=O)[*:1])n1
C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1nccs1 CC(C)(C)[*:1] C[C@H]([NH2+][C@@H](CO)C[*:1])c1nccs1
C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1nccs1 c1csc(n1)[*:1] C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)[*:1]
C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1nccs1 CC(C)(C)C[*:1] C[C@H]([NH2+][C@@H](CO)[*:1])c1nccs1
C#CCN1CCN(C(=O)CN2CCN(C(C)=O)CC2)CC1 C#CC[*:1] CC(=O)N1CCN(CC1)CC(=O)N1CCN(CC1)[*:1]
CCSc1nc(CC(=O)N(C)CC2=NN=C3CCC[C@@H]32)cs1 CCS[*:1] CN(CC1=NN=C2CCC[C@@H]21)C(=O)Cc1csc(n1)[*:1]
C[C@@](O)(C1CCCCC1)[C@](C)(O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@](O)(C1CCCCC1)[C@@](C)(O)[*:1]
CCCCNc1nc(Cl)cc(Cl)n1 CCCC[*:1] Clc1cc(Cl)nc(n1)N[*:1]
CCCCNc1nc(Cl)cc(Cl)n1 CCC[*:1] Clc1cc(Cl)nc(n1)NC[*:1]
COc1ccc([C@H]2C[NH+]=C(N)N2C2CC2)cc1O C1CC1[*:1] COc1ccc(cc1O)[C@H]1C[NH+]=C(N)N1[*:1]
N#CC(C#N)=CNc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#CC(C#N)=CNc1ccc(Cl)c(c1)[*:1]
Cc1cc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C(=O)NC(c1ccccc1)[*:1]
Cc1cc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)no1 Cc1cc(no1)[*:1] O=C(NC(c1ccccc1)c1ccccc1)C(=O)N[*:1]
O=C(Cn1cc(S(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc21)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(Cc1c(F)cccc1Cl)c1cn(C[*:1])c2ccccc12
O=C(Cn1cc(S(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc21)N1CCCC1 Fc1cccc(Cl)c1[*:1] O=C(Cn1cc(c2ccccc21)S(=O)(=O)C[*:1])N1CCCC1
O=C(Cn1cc(S(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc21)N1CCCC1 O=C(C[*:1])N1CCCC1 O=S(=O)(Cc1c(F)cccc1Cl)c1cn(c2ccccc12)[*:1]
O=C(Cn1cc(S(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc21)N1CCCC1 Fc1cccc(Cl)c1C[*:1] O=C(Cn1cc(c2ccccc21)S(=O)(=O)[*:1])N1CCCC1
C[C@@H]1CN(C2CCN(Cc3ccc(Cl)c(F)c3)CC2)CCO1 C[C@@H]1CN(CCO1)[*:1] Fc1cc(ccc1Cl)CN1CCC(CC1)[*:1]
CCCOc1ccccc1CNc1c(C)cccc1C CCCO[*:1] Cc1cccc(C)c1NCc1ccccc1[*:1]
CCCOc1ccccc1CNc1c(C)cccc1C CCC[*:1] Cc1cccc(C)c1NCc1ccccc1O[*:1]
C[C@H](CCCO)NC(=O)Cc1cccc(N)c1 OCC[*:1] C[C@H](C[*:1])NC(=O)Cc1cccc(N)c1
C[C@H](CCCO)NC(=O)Cc1cccc(N)c1 OCCC[*:1] C[C@H](NC(=O)Cc1cccc(N)c1)[*:1]
Cc1c(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)oc2ccc(F)cc12 c1ccc(cc1)[*:1] Cc1c(oc2ccc(F)cc12)C(=O)NC[C@@H](c1c[nH]c2ccccc12)[*:1]
Cc1c(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)oc2ccc(F)cc12 c1ccc2c(c[nH]c2c1)[*:1] Cc1c(oc2ccc(F)cc12)C(=O)NC[C@@H](c1ccccc1)[*:1]
CCCNC(=O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 c1nnnn1[*:1] CCCNC(=O)C(=O)Nc1ccc(c(C)c1)[*:1]
CCCNC(=O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 CCC[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)C(=O)N[*:1]
COc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)n3)CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1nc(cc(n1)N1CC[NH+](C)CC1)N1CCN(CC1)C(=O)N[*:1]
COCc1cc(C)nc(N/N=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1C#N O=C([O-])c1cccc(c1)[*:1] COCc1cc(C)nc(N/N=C\c2ccc(o2)[*:1])c1C#N
COCc1cc(C)nc(N/N=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1C#N O=C([O-])[*:1] COCc1cc(C)nc(N/N=C\c2ccc(o2)-c2cccc(c2)[*:1])c1C#N
COCc1cc(C)nc(N/N=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1C#N COC[*:1] Cc1cc(c(C#N)c(n1)N/N=C\c1ccc(o1)-c1cccc(c1)C(=O)[O-])[*:1]
Cc1ncc([C@@H](C)[NH2+][C@@H]2C[C@@H]2C2CCCCC2)s1 C1CCC(CC1)[*:1] Cc1ncc(s1)[C@@H](C)[NH2+][C@@H]1C[C@H]1[*:1]
Cc1ncc([C@@H](C)[NH2+][C@@H]2C[C@@H]2C2CCCCC2)s1 Cc1ncc(s1)[*:1] C[C@@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)[*:1]
CC1(C)[C@H]2CC[C@@]3(C)Oc4oc(C(=O)[O-])cc(=O)c4C[C@@H]3[C@]2(C)CC[C@H]1O O=C([O-])[*:1] CC1(C)[C@H]2CC[C@@]3(C)Oc4oc(cc(=O)c4C[C@@H]3[C@]2(C)CC[C@H]1O)[*:1]
COC(=O)[C@H](c1ccccc1F)N1CCc2nn(C)c(=O)cc2C1 COC(=O)[*:1] Cn1nc2CCN(Cc2cc1=O)[C@@H](c1ccccc1F)[*:1]
COC(=O)[C@H](c1ccccc1F)N1CCc2nn(C)c(=O)cc2C1 Fc1ccccc1[*:1] COC(=O)[C@H](N1CCc2nn(C)c(=O)cc2C1)[*:1]
Cn1c(C(=O)NCCNC(=O)c2ccncc2)cc2ccccc21 c1cc(ccn1)[*:1] Cn1c(cc2ccccc21)C(=O)NCCNC(=O)[*:1]
CN(Cc1ccccc1)C(=O)NCCC(=O)N1CCCCCC1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)NCCC(=O)N1CCCCCC1
CN(Cc1ccccc1)C(=O)NCCC(=O)N1CCCCCC1 c1ccc(cc1)C[*:1] CN(C(=O)NCCC(=O)N1CCCCCC1)[*:1]
COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 CN(C)S(=O)(=O)[*:1] COc1cc(C)cc(c1)C[NH2+][C@H](C)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccccc1[S@@](=O)c1ccccc1 O=[N+]([O-])[*:1] O=[S@@](c1ccccc1)c1ccccc1[*:1]
CCc1noc(CC)c1CNC(=O)c1ccccc1NC(=O)NC(C)C CC(C)[*:1] CCc1noc(CC)c1CNC(=O)c1ccccc1NC(=O)N[*:1]
CCc1noc(CC)c1CNC(=O)c1ccccc1NC(=O)NC(C)C CC(C)NC(=O)N[*:1] CCc1noc(CC)c1CNC(=O)c1ccccc1[*:1]
Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(C(=O)NC(C)C)CC1 CC(C)[*:1] Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(CC1)C(=O)N[*:1]
Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C1(CCC2)SCCS1 c1coc(c1)[*:1] Cc1c(oc2CCCC3(SCCS3)c21)C(=O)NNC(=O)[*:1]
C=CC[NH2+]Cc1nc(C[C@H]2CCCO2)no1 C1CO[C@H](C1)[*:1] C=CC[NH2+]Cc1nc(C[*:1])no1
C=CC[NH2+]Cc1nc(C[C@H]2CCCO2)no1 C=CC[*:1] C1CO[C@H](C1)Cc1noc(C[NH2+][*:1])n1
COc1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 COc1ccccc1[*:1] C[C@H](Oc1cccc2ccccc12)C(=O)N[*:1]
CCCNC(=O)/C=C(/C)c1ccccc1OC(F)F FC(F)O[*:1] CCCNC(=O)/C=C(/C)c1ccccc1[*:1]
CCCNC(=O)/C=C(/C)c1ccccc1OC(F)F CCCNC(=O)[*:1] CC(=C[*:1])c1ccccc1OC(F)F
CCCNC(=O)/C=C(/C)c1ccccc1OC(F)F CCC[*:1] C/C(=C/C(=O)N[*:1])c1ccccc1OC(F)F
CCCNC(=O)/C=C(/C)c1ccccc1OC(F)F FC(F)[*:1] CCCNC(=O)/C=C(/C)c1ccccc1O[*:1]
O=C(NCCCOC(=O)n1ccnc1)c1cc2ccccc2oc1=O O=C(O[*:1])n1ccnc1 O=C(NCCC[*:1])c1cc2ccccc2oc1=O
NS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 C1CCN(C1)[*:1] NS(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(nc1)[*:1]
CN(CC(C)(C)O)C(=O)c1ccc(F)cc1C#CCCO OCC[*:1] CN(CC(C)(C)O)C(=O)c1ccc(F)cc1C#C[*:1]
CN(CC(C)(C)O)C(=O)c1ccc(F)cc1C#CCCO CC(C)(O)C[*:1] CN(C(=O)c1ccc(F)cc1C#CCCO)[*:1]
CN(CC(C)(C)O)C(=O)c1ccc(F)cc1C#CCCO OCCC#C[*:1] CN(CC(C)(C)O)C(=O)c1ccc(F)cc1[*:1]
CN(CC(C)(C)O)C(=O)c1ccc(F)cc1C#CCCO CC(C)(O)[*:1] CN(C[*:1])C(=O)c1ccc(F)cc1C#CCCO
O=C(Nc1ccc(Br)cc1F)c1nc(-c2cnccn2)no1 c1cnc(cn1)[*:1] O=C(Nc1ccc(Br)cc1F)c1nc(no1)[*:1]
CCCc1cc(NC(=O)/C=C/c2ccc3c(c2)OCCO3)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)/C=C/c1ccc2OCCOc2c1)[*:1]
COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1Br COc1ccc(cc1Br)[*:1] O=C(NCc1ccco1)c1ccccc1NC(=O)[*:1]
COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1Br O=C(NCc1ccco1)[*:1] COc1ccc(cc1Br)C(=O)Nc1ccccc1[*:1]
COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1Br c1coc(c1)[*:1] COc1ccc(cc1Br)C(=O)Nc1ccccc1C(=O)NC[*:1]
COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1Br c1coc(c1)C[*:1] COc1ccc(cc1Br)C(=O)Nc1ccccc1C(=O)N[*:1]
CCNC(=O)c1cc(NC(=O)c2cccnc2-n2cccn2)nc2ccccc12 c1cnn(c1)[*:1] CCNC(=O)c1cc(nc2ccccc12)NC(=O)c1cccnc1[*:1]
CCNC(=O)c1cc(NC(=O)c2cccnc2-n2cccn2)nc2ccccc12 CCNC(=O)[*:1] O=C(Nc1cc(c2ccccc2n1)[*:1])c1cccnc1-n1cccn1
Cc1occc1C(=O)NCC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 Cc1occc1[*:1] C[C@H](CNC(=O)CNC(=O)[*:1])c1nc(no1)-c1ccccc1
Cc1occc1C(=O)NCC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1occc1C(=O)NCC(=O)NC[C@@H](C)c1nc(no1)[*:1]
Cc1occc1C(=O)NCC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 Cc1occc1C(=O)N[*:1] C[C@H](CNC(=O)C[*:1])c1nc(no1)-c1ccccc1
COc1ccc(OCc2nc3ccccc3n2CC(=O)N2CCOCC2)cc1 O=C(C[*:1])N1CCOCC1 COc1ccc(cc1)OCc1nc2ccccc2n1[*:1]
COc1ccc(OCc2nc3ccccc3n2CC(=O)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1c(CO[*:1])nc2ccccc21)N1CCOCC1
COc1ccc(OCc2nc3ccccc3n2CC(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)OCc1nc2ccccc2n1C[*:1]
COc1ccc(OCc2nc3ccccc3n2CC(=O)N2CCOCC2)cc1 COc1ccc(cc1)O[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)N1CCOCC1
Cc1cnn([C@H]2CCCN(C(=O)c3cc(Cl)c(Cl)n3C)C2)c1 Cc1cnn(c1)[*:1] Cn1c(cc(Cl)c1Cl)C(=O)N1CCC[C@@H](C1)[*:1]
CC1(C)C[C@H](Nc2cccc(-c3ccn[nH]3)c2)C(C)(C)O1 c1cc([nH]n1)[*:1] CC1(C)C[C@H](Nc2cccc(c2)[*:1])C(C)(C)O1
Cc1ccc([C@H](C)N(C)C(=O)c2cnc(Cl)c(Cl)c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1cnc(Cl)c(Cl)c1)[*:1]
CCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 CCCC[*:1] CN(C(=O)c1ccc(cc1)[N-]S(=O)(=O)c1ccc(F)c(Cl)c1)[*:1]
CCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 Fc1ccc(cc1Cl)[*:1] CCCCN(C)C(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
CCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 CCCCN(C)C(=O)[*:1] O=S(=O)([N-]c1ccc(cc1)[*:1])c1ccc(F)c(Cl)c1
CCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 CCC[*:1] CN(C[*:1])C(=O)c1ccc(cc1)[N-]S(=O)(=O)c1ccc(F)c(Cl)c1
O=C([O-])c1ccc(/N=C2/N=CN=C3N=NC=C32)cc1 O=C([O-])[*:1] C1=N/C(=N/c2ccc(cc2)[*:1])C2=CN=NC2=N1
CCC(CC)[C@H]([NH3+])c1cc(F)ccc1C CCC(CC)[*:1] Cc1ccc(F)cc1[C@@H]([NH3+])[*:1]
COc1ccccc1C[C@H](C)N(C)C(=O)NCc1cccs1 c1csc(c1)C[*:1] COc1ccccc1C[C@H](C)N(C)C(=O)N[*:1]
COc1ccccc1C[C@H](C)N(C)C(=O)NCc1cccs1 c1csc(c1)[*:1] COc1ccccc1C[C@H](C)N(C)C(=O)NC[*:1]
O=C1C[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CCN1 FC(F)(F)[*:1] O=C1C[NH+](CCN1)CCC(=O)Nc1cccc(c1)[*:1]
CN(C)C(=O)CCNC(=O)C[C@@H](O)c1ccc(Cl)cc1 CN(C)C(=O)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)NCC[*:1]
CN(C)C(=O)CCNC(=O)C[C@@H](O)c1ccc(Cl)cc1 CN(C)C(=O)C[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)NC[*:1]
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 c1coc(c1)[*:1] Cc1noc(C=C[*:1])c1S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 C(=C[*:1])c1ccco1 Cc1noc(c1S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[*:1]
CCNC(=O)c1cccc(C[NH2+][C@H](C)Cn2c[nH+]c(C)c2C)c1 CCNC(=O)[*:1] Cc1[nH+]cn(C[C@@H](C)[NH2+]Cc2cccc(c2)[*:1])c1C
O=C(NC[C@@H]1CCCO1)c1ccc(Cn2ccccc2=O)o1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])c1ccc(Cn2ccccc2=O)o1
O=C(NC[C@@H]1CCCO1)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1[*:1] O=C(NC[C@@H]1CCCO1)c1ccc(C[*:1])o1
O=C(NC[C@@H]1CCCO1)c1ccc(Cn2ccccc2=O)o1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])c1ccc(Cn2ccccc2=O)o1
O=C(O[C@H](C1CC1)C(F)(F)F)c1cnc([C@H]2CCCO2)s1 C1CC1[*:1] O=C(O[C@H](C(F)(F)F)[*:1])c1cnc(s1)[C@H]1CCCO1
O=C(O[C@H](C1CC1)C(F)(F)F)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] O=C(O[C@H](C1CC1)C(F)(F)F)c1cnc(s1)[*:1]
O=C(O[C@H](C1CC1)C(F)(F)F)c1cnc([C@H]2CCCO2)s1 FC(F)(F)[*:1] O=C(O[C@H](C1CC1)[*:1])c1cnc(s1)[C@H]1CCCO1
C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H]1CN1CCOCC1 Fc1ccccc1[*:1] C[C@H](CC[*:1])C(=O)N1CCC[C@@H]1CN1CCOCC1
C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H]1CN1CCOCC1 Fc1ccccc1C[*:1] C[C@H](C[*:1])C(=O)N1CCC[C@@H]1CN1CCOCC1
C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@H]1[*:1]
C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H]1C[*:1]
COC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCO[C@H]1C C[C@@H]1OCC[C@H]1[*:1] COC(=O)[C@H]1CCCC[C@H]1NC(=O)[*:1]
COC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCO[C@H]1C COC(=O)[*:1] C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)c1ccc(-c2ccccc2)cc1 C1CC1[*:1] C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[*:1])c1ccc(cc1)-c1ccccc1
Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 O=C(N[*:1])c1ccc(Cl)cc1 Cc1noc(C)c1S(=O)(=O)N1CCCN(CC1)C(=O)CC[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 Cc1noc(C)c1[*:1] O=C(NCCC(=O)N1CCCN(CC1)S(=O)(=O)[*:1])c1ccc(Cl)cc1
Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCCN(CC1)C(=O)CCNC(=O)[*:1]
c1ccc(C[NH+](Cc2ccccn2)C2CCCCC2)cc1 C1CCC(CC1)[*:1] c1ccc(cc1)C[NH+](Cc1ccccn1)[*:1]
c1ccc(C[NH+](Cc2ccccn2)C2CCCCC2)cc1 c1ccc(cc1)[*:1] c1ccc(C[NH+](C[*:1])C2CCCCC2)nc1
c1ccc(C[NH+](Cc2ccccn2)C2CCCCC2)cc1 c1ccc(cc1)C[*:1] c1ccc(C[NH+](C2CCCCC2)[*:1])nc1
c1ccc(C[NH+](Cc2ccccn2)C2CCCCC2)cc1 c1ccc(C[*:1])nc1 c1ccc(cc1)C[NH+](C1CCCCC1)[*:1]
c1ccc(C[NH+](Cc2ccccn2)C2CCCCC2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)C[NH+](C[*:1])C1CCCCC1
C[C@@]1(c2noc([C@@H]([NH3+])CCS(C)(=O)=O)n2)CCCO1 C[C@]1(CCCO1)[*:1] CS(=O)(=O)CC[C@H]([NH3+])c1nc(no1)[*:1]
C[C@@]1(c2noc([C@@H]([NH3+])CCS(C)(=O)=O)n2)CCCO1 CS(=O)(=O)[*:1] C[C@]1(CCCO1)c1noc(n1)[C@@H]([NH3+])CC[*:1]
C[C@@]1(c2noc([C@@H]([NH3+])CCS(C)(=O)=O)n2)CCCO1 CS(=O)(=O)CC[*:1] C[C@]1(CCCO1)c1noc(n1)[C@@H]([NH3+])[*:1]
C[C@@]1(c2noc([C@@H]([NH3+])CCS(C)(=O)=O)n2)CCCO1 CS(=O)(=O)C[*:1] C[C@]1(CCCO1)c1noc(n1)[C@@H]([NH3+])C[*:1]
C=CCn1c(SCc2c(C)noc2C)nnc1[C@H]1COc2ccccc2O1 Cc1noc(C)c1[*:1] C=CCn1c(nnc1[C@H]1COc2ccccc2O1)SC[*:1]
C=CCn1c(SCc2c(C)noc2C)nnc1[C@H]1COc2ccccc2O1 Cc1noc(C)c1C[*:1] C=CCn1c(nnc1[C@H]1COc2ccccc2O1)S[*:1]
C=CCn1c(SCc2c(C)noc2C)nnc1[C@H]1COc2ccccc2O1 C=CC[*:1] Cc1noc(C)c1CSc1nnc([C@H]2COc3ccccc3O2)n1[*:1]
C=CCn1c(SCc2c(C)noc2C)nnc1[C@H]1COc2ccccc2O1 Cc1noc(C)c1CS[*:1] C=CCn1c(nnc1[*:1])[C@H]1COc2ccccc2O1
Cc1cccc(S(=O)(=O)N[C@H]2CCN(CC(F)(F)F)C2)c1 FC(F)(F)C[*:1] Cc1cccc(c1)S(=O)(=O)N[C@H]1CCN(C1)[*:1]
Cc1cccc(S(=O)(=O)N[C@H]2CCN(CC(F)(F)F)C2)c1 Cc1cccc(c1)[*:1] O=S(=O)(N[C@H]1CCN(C1)CC(F)(F)F)[*:1]
Cc1cccc(S(=O)(=O)N[C@H]2CCN(CC(F)(F)F)C2)c1 FC(F)(F)[*:1] Cc1cccc(c1)S(=O)(=O)N[C@H]1CCN(C1)C[*:1]
COC(=O)[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1nc(C)c(C)[nH]c1=O COC(=O)[*:1] Cc1nc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@@H]2[*:1])c(=O)[nH]c1C
C[C@@H]1C[C@@H]1NC(=O)Cn1cccc1C(=O)[O-] C[C@@H]1C[C@H]1[*:1] O=C(Cn1cccc1C(=O)[O-])N[*:1]
C[C@@H]1C[C@@H]1NC(=O)Cn1cccc1C(=O)[O-] O=C([O-])[*:1] C[C@@H]1C[C@@H]1NC(=O)Cn1cccc1[*:1]
CNC(=O)c1ccccc1NC(=O)CN(C)C(=O)c1cccs1 CNC(=O)[*:1] CN(CC(=O)Nc1ccccc1[*:1])C(=O)c1cccs1
CNC(=O)c1ccccc1NC(=O)CN(C)C(=O)c1cccs1 c1csc(c1)[*:1] CNC(=O)c1ccccc1NC(=O)CN(C)C(=O)[*:1]
C=CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 C1CCN(C1)[*:1] C=CCNC(=O)c1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1
C=CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 C=CCNC(=O)[*:1] O=S(=O)(c1ccc(c(c1)[*:1])N1CCCC1)N1CCCCC1
C=CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 C=CC[*:1] O=C(N[*:1])c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCCCC1
Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(Cc2cccc(O)c2)C1 Oc1cccc(c1)[*:1] Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(C1)C[*:1]
Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(Cc2cccc(O)c2)C1 Oc1cccc(c1)C[*:1] Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(C1)[*:1]
CC[C@@](C)([C@H](Cc1cc(C)nn1C)[NH2+]C)[NH+]1CCCCC1 Cc1cc(n(C)n1)[*:1] CC[C@@](C)([C@H](C[*:1])[NH2+]C)[NH+]1CCCCC1
CN(C)C(=O)c1ccc(F)c(NC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)c1 CN(C)C(=O)[*:1] CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(ccc1F)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)c1 CC(C)(C)[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)N[C@@H]1CCCC[C@@H]1[*:1]
CCO/C([O-])=C1\C(=O)N=C(SCC(=O)Nc2ccc(F)cc2)[C@H](C#N)[C@H]1c1ccccc1F Fc1ccccc1[*:1] CCO/C([O-])=C1\C(=O)N=C(SCC(=O)Nc2ccc(F)cc2)[C@H](C#N)[C@@H]1[*:1]
CCO/C([O-])=C1\C(=O)N=C(SCC(=O)Nc2ccc(F)cc2)[C@H](C#N)[C@H]1c1ccccc1F O=C(C[*:1])Nc1ccc(F)cc1 CCO/C([O-])=C1\C(=O)N=C(S[*:1])[C@H](C#N)[C@H]1c1ccccc1F
CCO/C([O-])=C1\C(=O)N=C(SCC(=O)Nc2ccc(F)cc2)[C@H](C#N)[C@H]1c1ccccc1F O=C(Nc1ccc(F)cc1)[*:1] CCO/C([O-])=C1\C(=O)N=C(SC[*:1])[C@H](C#N)[C@H]1c1ccccc1F
CCO/C([O-])=C1\C(=O)N=C(SCC(=O)Nc2ccc(F)cc2)[C@H](C#N)[C@H]1c1ccccc1F CCO[*:1] N#C[C@H]1C(=NC(=O)C(=C([O-])[*:1])[C@@H]1c1ccccc1F)SCC(=O)Nc1ccc(F)cc1
CCO/C([O-])=C1\C(=O)N=C(SCC(=O)Nc2ccc(F)cc2)[C@H](C#N)[C@H]1c1ccccc1F Fc1ccc(cc1)[*:1] CCO/C([O-])=C1\C(=O)N=C(SCC(=O)N[*:1])[C@H](C#N)[C@H]1c1ccccc1F
Cn1c(SCC(=O)NC2CC2)nc2sccc2c1=O C1CC1[*:1] Cn1c(nc2sccc2c1=O)SCC(=O)N[*:1]
Cn1c(SCC(=O)NC2CC2)nc2sccc2c1=O O=C(NC1CC1)[*:1] Cn1c(nc2sccc2c1=O)SC[*:1]
COc1ccc(CCC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1OC O=C(c1ccccc1)[*:1] COc1ccc(cc1OC)CCC(=O)N1CCC(CC1)[*:1]
COc1ccc(CCC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CCC(=O)N1CCC(CC1)C(=O)[*:1]
CCCNC(=O)c1cccc(CNc2nc(C)cc(C)c2C#N)c1 CCCNC(=O)[*:1] Cc1cc(C)c(C#N)c(n1)NCc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(CNc2nc(C)cc(C)c2C#N)c1 CCC[*:1] Cc1cc(C)c(C#N)c(n1)NCc1cccc(c1)C(=O)N[*:1]
CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3nc4cccnc4n(CC)c3=O)C2)CC1 CCOC(=O)[*:1] CCn1c(=O)c(nc2cccnc21)N1CCC[C@H](C1)C(=O)N1CCC(CC1)[*:1]
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] CC(C)(C)[*:1] CO[C@@H]1CN(C[C@@H]1[NH3+])C(=O)O[*:1]
CC(C)CNC(=O)[C@@H](C)[S@](=O)c1cccc(F)c1 CC(C)C[*:1] C[C@H](C(=O)N[*:1])[S@](=O)c1cccc(F)c1
CC(C)CNC(=O)[C@@H](C)[S@](=O)c1cccc(F)c1 CC(C)[*:1] C[C@H](C(=O)NC[*:1])[S@](=O)c1cccc(F)c1
COC(=O)c1ccc(C)c(NC(=O)C2(CC(=O)NC(C)C)CCCC2)c1 CC(C)NC(=O)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)C1(CCCC1)C[*:1]
COC(=O)c1ccc(C)c(NC(=O)C2(CC(=O)NC(C)C)CCCC2)c1 CC(C)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)C1(CCCC1)CC(=O)N[*:1]
COC(=O)c1ccc(C)c(NC(=O)C2(CC(=O)NC(C)C)CCCC2)c1 CC(C)NC(=O)C[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)C1(CCCC1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)C2(CC(=O)NC(C)C)CCCC2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)C1(CCCC1)CC(=O)NC(C)C)[*:1]
Cc1c([C@@H](C)[NH2+][C@@H]2CC=CCC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])[C@@H](C)[NH2+][C@@H]1CC=CCC1
COCCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F COCCN[*:1] O=S(=O)(c1cc(F)ccc1[*:1])C(F)(F)F
COCCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F COC[*:1] O=S(=O)(c1cc(F)ccc1NC[*:1])C(F)(F)F
COCCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F FC(F)(F)[*:1] COCCNc1ccc(F)cc1S(=O)(=O)[*:1]
COCCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F COCC[*:1] O=S(=O)(c1cc(F)ccc1N[*:1])C(F)(F)F
C[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)NC(=O)CO2 O=C([O-])C[*:1] C[C@@H](NC(=O)c1ccc2OCC(=O)Nc2c1)[*:1]
C[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)NC(=O)CO2 O=C([O-])[*:1] C[C@@H](C[*:1])NC(=O)c1ccc2OCC(=O)Nc2c1
Cc1nc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(-c2ccccc2)n1 O=S(=O)(N1CCOCC1)[*:1] Cc1nc(cc(n1)-c1ccccc1)S[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc(cc(n1)[*:1])S[C@@H](C)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C1CCCN1C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 O=C1CCCN1C(=O)C[*:1] Fc1ccccc1-c1nnc(S[*:1])n1-c1ccccc1
O=C1CCCN1C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 Fc1ccccc1[*:1] O=C1CCCN1C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
O=C1CCCN1C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 O=C1CCCN1C(=O)[*:1] Fc1ccccc1-c1nnc(SC[*:1])n1-c1ccccc1
O=C1CCCN1C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCN1C(=O)CSc1nnc(-c2ccccc2F)n1[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccc(NC(C)=O)cc1Cl CC(=O)N[*:1] COc1ccccc1/C=C/C(=O)Nc1ccc(cc1Cl)[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccc(NC(C)=O)cc1Cl COc1ccccc1[*:1] CC(=O)Nc1ccc(NC(=O)C=C[*:1])c(Cl)c1
Cc1cc(C)cc(NC(=O)C(=O)NCC2(C)Cc3ccccc3C2)c1 Cc1cc(C)cc(c1)[*:1] CC1(CNC(=O)C(=O)N[*:1])Cc2ccccc2C1
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C1CCCC1 C1CCC(C1)[*:1] O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)C1CCCC1 O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])NNC(=O)C1CCCC1
COC[C@H](C)NC(=O)Cn1cccc2cc(C(F)F)nc1-2 COC[C@H](C)[*:1] O=C(Cn1cccc2cc(nc1-2)C(F)F)N[*:1]
COC[C@H](C)NC(=O)Cn1cccc2cc(C(F)F)nc1-2 FC(F)[*:1] COC[C@H](C)NC(=O)Cn1cccc2cc(nc1-2)[*:1]
COC[C@H](C)NC(=O)Cn1cccc2cc(C(F)F)nc1-2 COC[*:1] C[C@H](NC(=O)Cn1cccc2cc(nc1-2)C(F)F)[*:1]
Cc1ccc(C(=O)NCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1C Cc1ccc(cc1C)[*:1] O=C(CNC(=O)[*:1])N1CCC2(CC1)[NH2+]CCc1nc[nH]c12
CCN(C[C@H]1CCOC1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] CCN(C[C@H]1CCOC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] CCN(C[C@H]1CCOC1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CCN(C[C@H]1CCOC1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
CCN(C[C@H]1CCOC1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 C1C[C@@H](CO1)C[*:1] CCN(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[*:1]
CC[C@@H](CC1CCCC1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 C1CCC(C1)[*:1] CC[C@@H](C[*:1])C(=O)N1CCN(CC1)C(=O)C[NH+](C)C
CC[C@@H](CC1CCCC1)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 C1CCC(C1)C[*:1] CC[C@@H](C(=O)N1CCN(CC1)C(=O)C[NH+](C)C)[*:1]
O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)c1c(ccc3ncccc13)N2 Brc1ccc(cc1)[*:1] O=C1CCCC2Nc3ccc4ncccc4c3[C@@H](C=21)[*:1]
CC[C@@](O)(C1CC1)[C@@]1(C#N)CCc2ccccc21 C1CC1[*:1] CC[C@@](O)([C@@]1(C#N)CCc2ccccc21)[*:1]
CC[C@H](C)CS(=O)(=O)c1nc2ccccc2[nH]1 CC[C@H](C)C[*:1] O=S(=O)(c1nc2ccccc2[nH]1)[*:1]
CC[C@H](C)CS(=O)(=O)c1nc2ccccc2[nH]1 CC[C@H](C)[*:1] O=S(=O)(C[*:1])c1nc2ccccc2[nH]1
CC[C@H](NC(=O)C(=O)Nc1ccc(SC)cc1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)C(=O)Nc1ccc(cc1)SC)[*:1]
O=C(NCc1ccc(F)c(CO)c1)[C@@H]1CCCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(NCc1ccc(F)c(c1)CO)[C@@H]1CCCN(C1)[*:1]
O=C(NCc1ccc(F)c(CO)c1)[C@@H]1CCCN(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCc1ccc(F)c(c1)CO)[C@@H]1CCCN(C1)C[*:1]
COc1ccc(O[C@H](C)CNC(=O)NCc2ccc(O)c(F)c2)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)NCc1ccc(O)c(F)c1)O[*:1]
COc1ccc(O[C@H](C)CNC(=O)NCc2ccc(O)c(F)c2)cc1 Oc1ccc(cc1F)[*:1] COc1ccc(cc1)O[C@H](C)CNC(=O)NC[*:1]
CS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1 CS(=O)(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N(Cc1cccnc1)c1ccc(Cl)cc1
CS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1 c1cncc(c1)C[*:1] CS(=O)(=O)c1cccc(c1)S(=O)(=O)N(c1ccc(Cl)cc1)[*:1]
CS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CS(=O)(=O)c1cccc(c1)S(=O)(=O)N(Cc1cccnc1)[*:1]
CS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(Cl)cc2)c1 c1cncc(c1)[*:1] CS(=O)(=O)c1cccc(c1)S(=O)(=O)N(C[*:1])c1ccc(Cl)cc1
CCOCc1ccccc1NC(=O)c1ccc(C(=O)N(C)C)cc1 CCO[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)Nc1ccccc1C[*:1]
CCOCc1ccccc1NC(=O)c1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CCOCc1ccccc1NC(=O)c1ccc(cc1)[*:1]
CCOCc1ccccc1NC(=O)c1ccc(C(=O)N(C)C)cc1 CCOC[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)Nc1ccccc1[*:1]
N#Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1F O=[N+]([O-])[*:1] N#Cc1ccc(cc1F)OCC(=O)Nc1ccc(cc1Br)[*:1]
O=C(Nc1cccnc1)C1CCN(Cc2nc3ccccc3[nH]2)CC1 c1cncc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)Cc1nc2ccccc2[nH]1
CC(C)C[C@H](CNC(=O)[C@]1([NH3+])CCC[C@@H](C)C1)C(=O)[O-] CC(C)[*:1] C[C@@H]1CCC[C@]([NH3+])(C1)C(=O)NC[C@@H](C[*:1])C(=O)[O-]
CC(C)C[C@H](CNC(=O)[C@]1([NH3+])CCC[C@@H](C)C1)C(=O)[O-] CC(C)C[*:1] C[C@@H]1CCC[C@]([NH3+])(C1)C(=O)NC[C@H](C(=O)[O-])[*:1]
CC(C)C[C@H](CNC(=O)[C@]1([NH3+])CCC[C@@H](C)C1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)[C@]1([NH3+])CCC[C@@H](C)C1)[*:1]
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(CCN2CCOCC2)CC1 C1CN(CCO1)C[*:1] O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(CC1)C[*:1]
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(CCN2CCOCC2)CC1 FC(F)(F)[*:1] O=C([C@@H]1CCCC[C@@H]1[*:1])N1CCC(CCN2CCOCC2)CC1
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(CCN2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(CC1)CC[*:1]
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(CCN2CCOCC2)CC1 C1CN(CCO1)CC[*:1] O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(CC1)[*:1]
C[C@H](NC(=O)NCCc1ncnn1C)c1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCCc1ncnn1C)c1ncc(o1)[*:1]
C[C@H](NC(=O)NCCc1ncnn1C)c1ncc(-c2ccccc2)o1 Cn1ncnc1C[*:1] C[C@H](NC(=O)NC[*:1])c1ncc(o1)-c1ccccc1
C[C@H](NC(=O)NCCc1ncnn1C)c1ncc(-c2ccccc2)o1 Cn1ncnc1CC[*:1] C[C@H](NC(=O)N[*:1])c1ncc(o1)-c1ccccc1
C[C@H](NC(=O)NCCc1ncnn1C)c1ncc(-c2ccccc2)o1 Cn1ncnc1[*:1] C[C@H](NC(=O)NCC[*:1])c1ncc(o1)-c1ccccc1
CCOC(=O)c1sc2nc3c(cc2c1NC(=O)N1CCN(CCO)CC1)CCC3 OCC[*:1] CCOC(=O)c1sc2nc3CCCc3cc2c1NC(=O)N1CCN(CC1)[*:1]
CCOC(=O)c1sc2nc3c(cc2c1NC(=O)N1CCN(CCO)CC1)CCC3 CCOC(=O)[*:1] O=C(Nc1c(sc2nc3CCCc3cc12)[*:1])N1CCN(CCO)CC1
Nc1nnc(SCC(=O)NC(=O)[C@@H]2COc3ccccc3O2)s1 Nc1nnc(S[*:1])s1 O=C(C[*:1])NC(=O)[C@@H]1COc2ccccc2O1
Nc1nnc(SCC(=O)NC(=O)[C@@H]2COc3ccccc3O2)s1 Nc1nnc(s1)[*:1] O=C(CS[*:1])NC(=O)[C@@H]1COc2ccccc2O1
CC(C)[NH+]1CCC(NC(=O)Cn2c(=O)sc3ccccc32)CC1 CC(C)[*:1] O=C(Cn1c(=O)sc2ccccc21)NC1CC[NH+](CC1)[*:1]
CN(N[C@H]1OC(=O)c2ccccc21)c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] CN(N[C@H]1OC(=O)c2ccccc21)c1ncc(cc1Cl)[*:1]
CC(C)Cc1nnc(NC(=O)NCC[C@@H](O)c2ccccc2)s1 CC(C)C[*:1] O=C(NCC[C@@H](O)c1ccccc1)Nc1nnc(s1)[*:1]
CC(C)Cc1nnc(NC(=O)NCC[C@@H](O)c2ccccc2)s1 c1ccc(cc1)[*:1] CC(C)Cc1nnc(NC(=O)NCC[C@@H](O)[*:1])s1
CC(C)Cc1nnc(NC(=O)NCC[C@@H](O)c2ccccc2)s1 CC(C)[*:1] O=C(NCC[C@@H](O)c1ccccc1)Nc1nnc(C[*:1])s1
C[C@H]1C[C@H](NC(=O)c2ccc3c(c2)COCO3)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1[*:1])NC(=O)c1ccc2OCOCc2c1
Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)sc1Cl Cc1nc(sc1Cl)[*:1] O=C(NCC[*:1])[C@@H]1CC(=O)N(Cc2ccncc2)C1
Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)sc1Cl c1cc(ccn1)[*:1] Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(C2)C[*:1])sc1Cl
Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)sc1Cl Cc1nc(C[*:1])sc1Cl O=C(NC[*:1])[C@@H]1CC(=O)N(Cc2ccncc2)C1
Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)sc1Cl c1cc(ccn1)C[*:1] Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(C2)[*:1])sc1Cl
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N3CC[C@@H](C)[C@H](O)C3)C2)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(OCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])OCC(=O)N(C)[C@@H](C)[*:1]
Cc1cc(OCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])OCC(=O)N(C)[C@@H](C)c1ccc(F)cc1
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1S(C)(=O)=O c1ncn(n1)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)c1ccccc1S(C)(=O)=O
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)c1ccccc1[*:1]
CN(C)C(=O)c1ccc(CN(CCc2cccc(F)c2)C2CCCC2)[nH]1 C1CCC(C1)[*:1] CN(C)C(=O)c1ccc(CN(CCc2cccc(F)c2)[*:1])[nH]1
CN(C)C(=O)c1ccc(CN(CCc2cccc(F)c2)C2CCCC2)[nH]1 CN(C)C(=O)[*:1] Fc1cccc(c1)CCN(Cc1ccc([nH]1)[*:1])C1CCCC1
CN(C)C(=O)c1ccc(CN(CCc2cccc(F)c2)C2CCCC2)[nH]1 Fc1cccc(c1)C[*:1] CN(C)C(=O)c1ccc(CN(C[*:1])C2CCCC2)[nH]1
CN(C)C(=O)c1ccc(CN(CCc2cccc(F)c2)C2CCCC2)[nH]1 Fc1cccc(c1)[*:1] CN(C)C(=O)c1ccc(CN(CC[*:1])C2CCCC2)[nH]1
COc1ccc(-n2ccnc2C[NH+]2CCn3nc(C(=O)[O-])cc3C2)cc1 COc1ccc(cc1)[*:1] O=C([O-])c1cc2C[NH+](CCn2n1)Cc1nccn1[*:1]
COc1ccc(-n2ccnc2C[NH+]2CCn3nc(C(=O)[O-])cc3C2)cc1 O=C([O-])[*:1] COc1ccc(cc1)-n1ccnc1C[NH+]1CCn2nc(cc2C1)[*:1]
C[NH2+]C(C)(C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[NH2+]C(C)(C)C(=O)NCc1cccnc1O[*:1]
COC[C@H](C)CNc1ncnc(OC(C)C)c1N COC[C@H](C)[*:1] CC(C)Oc1ncnc(NC[*:1])c1N
COC[C@H](C)CNc1ncnc(OC(C)C)c1N CC(C)[*:1] COC[C@H](C)CNc1ncnc(O[*:1])c1N
COC[C@H](C)CNc1ncnc(OC(C)C)c1N COC[C@H](C)C[*:1] CC(C)Oc1ncnc(N[*:1])c1N
COC[C@H](C)CNc1ncnc(OC(C)C)c1N CC(C)O[*:1] COC[C@H](C)CNc1ncnc(c1N)[*:1]
COC[C@H](C)CNc1ncnc(OC(C)C)c1N COC[*:1] CC(C)Oc1ncnc(NC[C@@H](C)[*:1])c1N
CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccccc3F)c(C)c2s1 Fc1ccccc1[*:1] CC(C)=NNc1nc2cc(C)c(NC(=O)[*:1])c(C)c2s1
CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccccc3F)c(C)c2s1 CC(C)=NN[*:1] Cc1cc2nc(sc2c(C)c1NC(=O)c1ccccc1F)[*:1]
CC(C)n1ncc2c1N=C(O)CS[C@@H]2c1ccc2ncccc2c1 CC(C)[*:1] OC1CS[C@H](c2ccc3ncccc3c2)c2cnn(c2N=1)[*:1]
CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](C)[*:1]
CS(=O)(=O)NC[C@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 CS(=O)(=O)NC[*:1] O=C(Cn1nnc2ccccc21)N1CCC[C@@H](C1)[*:1]
CS(=O)(=O)NC[C@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 CS(=O)(=O)N[*:1] O=C(Cn1nnc2ccccc21)N1CCC[C@@H](C1)C[*:1]
Cc1cc2ncc([C@H](C)NC[C@@H](C)Oc3ccccc3Cl)c(C)n2n1 Clc1ccccc1O[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)NC[C@@H](C)[*:1]
Cc1cc2ncc([C@H](C)NC[C@@H](C)Oc3ccccc3Cl)c(C)n2n1 Clc1ccccc1[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)NC[C@@H](C)O[*:1]
O=C1CCCN1C[C@H](NC(=O)N1CCN(c2nccs2)CC1)c1ccccc1 O=C1CCCN1C[*:1] O=C(N[C@H](c1ccccc1)[*:1])N1CCN(CC1)c1nccs1
O=C1CCCN1C[C@H](NC(=O)N1CCN(c2nccs2)CC1)c1ccccc1 O=C1CCCN1[*:1] O=C(N[C@@H](C[*:1])c1ccccc1)N1CCN(CC1)c1nccs1
O=C1CCCN1C[C@H](NC(=O)N1CCN(c2nccs2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCN1C[C@H](NC(=O)N1CCN(CC1)c1nccs1)[*:1]
O=C1CCCN1C[C@H](NC(=O)N1CCN(c2nccs2)CC1)c1ccccc1 c1csc(n1)[*:1] O=C1CCCN1C[C@H](NC(=O)N1CCN(CC1)[*:1])c1ccccc1
COCC[C@@H](O)Cc1ccc(O)cc1 COCC[*:1] Oc1ccc(cc1)C[C@H](O)[*:1]
COCC[C@@H](O)Cc1ccc(O)cc1 COC[*:1] Oc1ccc(cc1)C[C@H](O)C[*:1]
CC(C)c1noc2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)CC#N)c12 N#CC[*:1] CC(C)c1noc2nc(cc(C(=O)N(C)[C@@H](C)[*:1])c12)C1CC1
CC(C)c1noc2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)CC#N)c12 C1CC1[*:1] CC(C)c1noc2nc(cc(C(=O)N(C)[C@@H](C)CC#N)c12)[*:1]
CC(C)c1noc2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)CC#N)c12 CC(C)[*:1] C[C@@H](CC#N)N(C)C(=O)c1cc(nc2onc(c12)[*:1])C1CC1
CS(=O)(=O)CCCNC(=O)NCCc1cc(F)ccc1F CS(=O)(=O)C[*:1] O=C(NCCc1cc(F)ccc1F)NCC[*:1]
CS(=O)(=O)CCCNC(=O)NCCc1cc(F)ccc1F CS(=O)(=O)CCC[*:1] O=C(NCCc1cc(F)ccc1F)N[*:1]
CS(=O)(=O)CCCNC(=O)NCCc1cc(F)ccc1F CS(=O)(=O)[*:1] O=C(NCCC[*:1])NCCc1cc(F)ccc1F
CS(=O)(=O)CCCNC(=O)NCCc1cc(F)ccc1F CS(=O)(=O)CC[*:1] O=C(NCCc1cc(F)ccc1F)NC[*:1]
CS[C@H]1CCC[C@H]1NC(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] CS[C@H]1CCC[C@H]1NC(=O)NCc1ccnc(c1)O[*:1]
CS[C@H]1CCC[C@H]1NC(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] CS[C@H]1CCC[C@H]1NC(=O)NCc1ccnc(c1)[*:1]
CCO[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)C1 CCO[*:1] CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@H](C1)[*:1]
CCO[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)C1 Fc1ccc(cc1)C[*:1] CCO[C@@H]1CCCN(C1)C(=O)N[C@@H](C(C)C)[*:1]
CCO[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)C1 CC(C)[*:1] CCO[C@@H]1CCCN(C1)C(=O)N[C@@H](Cc1ccc(F)cc1)[*:1]
CCO[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)C1 Fc1ccc(cc1)[*:1] CCO[C@@H]1CCCN(C1)C(=O)N[C@@H](C[*:1])C(C)C
O=C(NCC1(c2ccncc2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 c1cc(ccn1)C1(CC1)[*:1] O=C(NC[*:1])c1cnn(c1)-c1ccc(cc1)[N+](=O)[O-]
O=C(NCC1(c2ccncc2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NCC1(CC1)c1ccncc1)c1cnn(c1)[*:1]
O=C(NCC1(c2ccncc2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] O=C(NCC1(CC1)c1ccncc1)c1cnn(c1)-c1ccc(cc1)[*:1]
O=C(NCC1(c2ccncc2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 c1cc(ccn1)[*:1] O=C(NCC1(CC1)[*:1])c1cnn(c1)-c1ccc(cc1)[N+](=O)[O-]
Cc1nccn1-c1ccc([C@@H](C)NS(=O)(=O)N(C)C(C)C)cc1 Cc1nccn1[*:1] CC(C)N(C)S(=O)(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@@H](C)NS(=O)(=O)N(C)C(C)C)cc1 CC(C)[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)N(C)[*:1]
O=C(Nc1ccccn1)c1c(-n2cnnn2)sc2c1CCC2 c1ccc(nc1)[*:1] O=C(N[*:1])c1c(sc2CCCc21)-n1cnnn1
O=C(Nc1ccccn1)c1c(-n2cnnn2)sc2c1CCC2 c1nnnn1[*:1] O=C(Nc1ccccn1)c1c(sc2CCCc21)[*:1]
C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H]1O O=[N+]([O-])[*:1] C[C@@H]1CCN(C[C@@H]1O)c1ccc(c(c1)S(C)(=O)=O)[*:1]
C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H]1O CS(=O)(=O)[*:1] C[C@@H]1CCN(C[C@@H]1O)c1ccc(c(c1)[*:1])[N+](=O)[O-]
Cc1cccc2nc(CS(=O)(=O)CC(=O)N[C@@H](C)C(C)C)cc(=O)n12 CC(C)[C@H](C)NC(=O)[*:1] Cc1cccc2nc(cc(=O)n12)CS(=O)(=O)C[*:1]
Cc1cccc2nc(CS(=O)(=O)CC(=O)N[C@@H](C)C(C)C)cc(=O)n12 CC(C)[*:1] Cc1cccc2nc(cc(=O)n12)CS(=O)(=O)CC(=O)N[C@@H](C)[*:1]
Cc1cccc2nc(CS(=O)(=O)CC(=O)N[C@@H](C)C(C)C)cc(=O)n12 CC(C)[C@H](C)[*:1] Cc1cccc2nc(cc(=O)n12)CS(=O)(=O)CC(=O)N[*:1]
CC1=C[C@@H](c2c(-c3ccccc3)ncn2Cc2noc(-c3ccco3)n2)N=N1 c1ccc(cc1)[*:1] CC1=C[C@H](N=N1)c1c(ncn1Cc1noc(n1)-c1ccco1)[*:1]
CC1=C[C@@H](c2c(-c3ccccc3)ncn2Cc2noc(-c3ccco3)n2)N=N1 c1coc(c1)[*:1] CC1=C[C@H](N=N1)c1c(ncn1Cc1noc(n1)[*:1])-c1ccccc1
CN(CCc1cccs1)c1ccc(F)cc1C(N)=[NH2+] c1csc(c1)[*:1] CN(CC[*:1])c1ccc(F)cc1C(N)=[NH2+]
CN(CCc1cccs1)c1ccc(F)cc1C(N)=[NH2+] NC(=[NH2+])[*:1] CN(CCc1cccs1)c1ccc(F)cc1[*:1]
CN(CCc1cccs1)c1ccc(F)cc1C(N)=[NH2+] c1csc(c1)C[*:1] CN(C[*:1])c1ccc(F)cc1C(N)=[NH2+]
CCC[NH2+]CC/C=C(/C)c1ccc(C)c(C)c1 CCC[*:1] C/C(=C/CC[NH2+][*:1])c1ccc(C)c(C)c1
CCc1ccsc1C(=O)Nc1c(C)nn(CCOC)c1C COCC[*:1] CCc1ccsc1C(=O)Nc1c(C)nn(c1C)[*:1]
CCc1ccsc1C(=O)Nc1c(C)nn(CCOC)c1C COC[*:1] CCc1ccsc1C(=O)Nc1c(C)nn(C[*:1])c1C
CCc1ccsc1C(=O)Nc1c(C)nn(CCOC)c1C CCc1ccsc1[*:1] COCCn1nc(C)c(NC(=O)[*:1])c1C
CCC(=O)Nc1ccc(F)c(NC(=O)NCCCn2nc(C)nc2C)c1 CCC(=O)N[*:1] Cc1nc(C)n(CCCNC(=O)Nc2cc(ccc2F)[*:1])n1
CCC(=O)Nc1ccc(F)c(NC(=O)NCCCn2nc(C)nc2C)c1 Cc1nc(C)n(C[*:1])n1 CCC(=O)Nc1ccc(F)c(c1)NC(=O)NCC[*:1]
CCC(=O)Nc1ccc(F)c(NC(=O)NCCCn2nc(C)nc2C)c1 Cc1nc(C)n(n1)[*:1] CCC(=O)Nc1ccc(F)c(c1)NC(=O)NCCC[*:1]
CCC(=O)NCc1cc(Br)ccc1OC(F)F CCC(=O)N[*:1] FC(F)Oc1ccc(Br)cc1C[*:1]
CCC(=O)NCc1cc(Br)ccc1OC(F)F FC(F)O[*:1] CCC(=O)NCc1cc(Br)ccc1[*:1]
CCC(=O)NCc1cc(Br)ccc1OC(F)F FC(F)[*:1] CCC(=O)NCc1cc(Br)ccc1O[*:1]
CCNC(=O)c1cccc2[nH]cc(CN3CCSCC3)c12 CCNC(=O)[*:1] c1cc(c2c(c[nH]c2c1)CN1CCSCC1)[*:1]
CCNC(=O)c1cccc2[nH]cc(CN3CCSCC3)c12 C1CN(CCS1)[*:1] CCNC(=O)c1cccc2[nH]cc(C[*:1])c12
CCNC(=O)c1cccc2[nH]cc(CN3CCSCC3)c12 C1CN(CCS1)C[*:1] CCNC(=O)c1cccc2[nH]cc(c12)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC2=O)cc1F Cc1ccc(cc1F)[*:1] Nc1c(Cl)cc(cc1Cl)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
c1ccc(-n2c(SCc3nnc(-c4ccco4)o3)nnc2C2CC2)cc1 c1ccc(cc1)[*:1] c1coc(c1)-c1nnc(CSc2nnc(C3CC3)n2[*:1])o1
c1ccc(-n2c(SCc3nnc(-c4ccco4)o3)nnc2C2CC2)cc1 C1CC1[*:1] c1ccc(cc1)-n1c(nnc1[*:1])SCc1nnc(o1)-c1ccco1
c1ccc(-n2c(SCc3nnc(-c4ccco4)o3)nnc2C2CC2)cc1 c1coc(c1)[*:1] c1ccc(cc1)-n1c(nnc1C1CC1)SCc1nnc(o1)[*:1]
C[C@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1ccc(C(F)(F)F)cc1 C1C[C@@H](CO1)[*:1] C[C@H](NCc1ccnc(c1)O[*:1])c1ccc(cc1)C(F)(F)F
C[C@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NCc1ccnc(c1)O[C@H]1CCOC1)c1ccc(cc1)[*:1]
C[C@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1ccc(C(F)(F)F)cc1 C1C[C@@H](CO1)O[*:1] C[C@H](NCc1ccnc(c1)[*:1])c1ccc(cc1)C(F)(F)F
COc1ccc([C@@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)cc1CN1CC([N+](=O)[O-])=CN1 O=[N+]([O-])[*:1] COc1ccc(cc1CN1CC(=CN1)[*:1])[C@@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
O=C(c1ccc(O)cc1)C1CCN(C(=O)NCC#Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(O)cc1)C1CCN(CC1)C(=O)NCC#C[*:1]
O=C(c1ccc(O)cc1)C1CCN(C(=O)NCC#Cc2ccccc2)CC1 Oc1ccc(cc1)[*:1] O=C(NCC#Cc1ccccc1)N1CCC(CC1)C(=O)[*:1]
O=C(c1ccc(O)cc1)C1CCN(C(=O)NCC#Cc2ccccc2)CC1 C(#C[*:1])c1ccccc1 O=C(c1ccc(O)cc1)C1CCN(CC1)C(=O)NC[*:1]
O=C(c1ccc(O)cc1)C1CCN(C(=O)NCC#Cc2ccccc2)CC1 O=C(c1ccc(O)cc1)[*:1] O=C(NCC#Cc1ccccc1)N1CCC(CC1)[*:1]
O=C(c1ccc(O)cc1)C1CCN(C(=O)NCC#Cc2ccccc2)CC1 C(#Cc1ccccc1)C[*:1] O=C(c1ccc(O)cc1)C1CCN(CC1)C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)CCn2nnc(-c3cccc(F)c3)n2)cc1 CC(=O)[*:1] O=C(CCn1nnc(n1)-c1cccc(F)c1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CCn2nnc(-c3cccc(F)c3)n2)cc1 Fc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CCn1nnc(n1)[*:1]
COc1ccc(S(=O)(=O)N(C)C)cc1NCc1nc(C)cs1 Cc1csc(n1)[*:1] COc1ccc(cc1NC[*:1])S(=O)(=O)N(C)C
COc1ccc(S(=O)(=O)N(C)C)cc1NCc1nc(C)cs1 Cc1csc(C[*:1])n1 COc1ccc(cc1N[*:1])S(=O)(=O)N(C)C
COc1ccc(S(=O)(=O)N(C)C)cc1NCc1nc(C)cs1 CN(C)S(=O)(=O)[*:1] COc1ccc(cc1NCc1nc(C)cs1)[*:1]
COc1ccc(NC(=O)CSc2ncn[nH]2)cc1 c1n[nH]c(n1)S[*:1] COc1ccc(cc1)NC(=O)C[*:1]
COc1ccc(NC(=O)CSc2ncn[nH]2)cc1 c1n[nH]c(n1)[*:1] COc1ccc(cc1)NC(=O)CS[*:1]
Cc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)N(CC(=O)[O-])C2=O Cc1ccccc1[*:1] O=C([O-])CN1C(=O)c2ccc(cc2C1=O)NC(=O)CO[*:1]
Cc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)N(CC(=O)[O-])C2=O O=C([O-])C[*:1] Cc1ccccc1OCC(=O)Nc1ccc2C(=O)N(C(=O)c2c1)[*:1]
Cc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)N(CC(=O)[O-])C2=O O=C([O-])[*:1] Cc1ccccc1OCC(=O)Nc1ccc2C(=O)N(C[*:1])C(=O)c2c1
Cc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)N(CC(=O)[O-])C2=O Cc1ccccc1O[*:1] O=C([O-])CN1C(=O)c2ccc(cc2C1=O)NC(=O)C[*:1]
Cc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)N(CC(=O)[O-])C2=O Cc1ccccc1OC[*:1] O=C([O-])CN1C(=O)c2ccc(cc2C1=O)NC(=O)[*:1]
CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)Cn1cccc(c1=O)C(F)(F)F)[*:1]
CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)C1CCOCC1 FC(F)(F)[*:1] CN(C(=O)Cn1cccc(c1=O)[*:1])C1CCOCC1
Fc1ccc(OCCSc2nnc3[nH]c4ccccc4n23)cc1 Fc1ccc(cc1)[*:1] c1ccc2c(c1)[nH]c1nnc(SCCO[*:1])n12
COc1ccc(C)cc1/C=C/C(=O)NNC(=O)Cc1nc2ccccc2n1C COc1ccc(C)cc1[*:1] Cn1c(CC(=O)NNC(=O)C=C[*:1])nc2ccccc21
Cc1c(NCc2nnnn2-c2ccc(C(F)(F)F)cc2)cccc1C(N)=O FC(F)(F)[*:1] Cc1c(cccc1C(N)=O)NCc1nnnn1-c1ccc(cc1)[*:1]
Cc1c(NCc2nnnn2-c2ccc(C(F)(F)F)cc2)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NCc1nnnn1-c1ccc(cc1)C(F)(F)F
C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)n1cc[nH+]c1)[*:1]
CCCC[C@@H](COC)NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 CCC[*:1] COC[C@H](C[*:1])NC(=O)N1CCC(CC1)C(=O)N1CCC(C)CC1
CCCC[C@@H](COC)NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 CCCC[*:1] COC[C@@H](NC(=O)N1CCC(CC1)C(=O)N1CCC(C)CC1)[*:1]
CCCC[C@@H](COC)NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 COC[*:1] CCCC[C@@H](NC(=O)N1CCC(CC1)C(=O)N1CCC(C)CC1)[*:1]
O=C(COc1ccc(Cl)cc1Cl)NC[C@H]1OCCc2ccccc21 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])NC[C@H]1OCCc2ccccc21
Cc1[nH]/c(=N\C(=S)NC(=O)c2cccs2)sc1C(=O)N(C)C c1csc(c1)[*:1] Cc1[nH]/c(=N\C(=S)NC(=O)[*:1])sc1C(=O)N(C)C
Cc1[nH]/c(=N\C(=S)NC(=O)c2cccs2)sc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1[nH]/c(=N\C(=S)NC(=O)c2cccs2)sc1[*:1]
CCOc1ccc(C(=O)N(CC)Cc2cccc(F)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])C(=O)N(CC)Cc1cccc(F)c1
CCOc1ccc(C(=O)N(CC)Cc2cccc(F)c2)cc1[N+](=O)[O-] Fc1cccc(c1)C[*:1] CCOc1ccc(cc1[N+](=O)[O-])C(=O)N(CC)[*:1]
CCOc1ccc(C(=O)N(CC)Cc2cccc(F)c2)cc1[N+](=O)[O-] CCO[*:1] CCN(Cc1cccc(F)c1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCOc1ccc(C(=O)N(CC)Cc2cccc(F)c2)cc1[N+](=O)[O-] Fc1cccc(c1)[*:1] CCOc1ccc(cc1[N+](=O)[O-])C(=O)N(CC)C[*:1]
Cc1nc(-c2cccc(C(=O)Nc3nccn(C)c3=O)c2)no1 Cc1nc(no1)[*:1] Cn1ccnc(NC(=O)c2cccc(c2)[*:1])c1=O
Cc1cc(=O)oc2cc(NC(=O)CC3(CC(=O)[O-])CCCC3)ccc12 O=C([O-])C[*:1] Cc1cc(=O)oc2cc(ccc12)NC(=O)CC1(CCCC1)[*:1]
Cc1cc(=O)oc2cc(NC(=O)CC3(CC(=O)[O-])CCCC3)ccc12 O=C([O-])[*:1] Cc1cc(=O)oc2cc(ccc12)NC(=O)CC1(CCCC1)C[*:1]
Cc1ccccc1CNC(=O)c1c[nH]c2nccc(Cl)c12 Cc1ccccc1[*:1] O=C(NC[*:1])c1c[nH]c2nccc(Cl)c12
C[C@@H]1[NH+]=c2ccccc2=C1SCCNC(=O)/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 C[C@@H]1[NH+]=c2ccccc2=C1SCCNC(=O)[*:1]
C[C@@H]1[NH+]=c2ccccc2=C1SCCNC(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1[NH+]=c2ccccc2=C1SCCNC(=O)C=C[*:1]
COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)[C@H]1C Fc1ccc(cc1)C[*:1] COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@H](C2)C(=O)N[*:1])[C@H]1C
COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)[C@H]1C Fc1ccc(cc1)[*:1] COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@H](C2)C(=O)NC[*:1])[C@H]1C
COC(=O)C1=C(C)N=C(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)[C@H]1C COC(=O)[*:1] CC1N=C(C(=O)N2CCC[C@H](C2)C(=O)NCc2ccc(F)cc2)[C@@H](C)C=1[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 O=[N+]([O-])[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)[N+](=O)[O-]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 O=[N+]([O-])c1ccc(Cl)c(c1)[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)S(=O)(=O)[*:1]
CCCOc1cccc([C@H]2NC(=O)c3oc4ccccc4c(=O)c32)c1 CCCO[*:1] O=C1N[C@H](c2cccc(c2)[*:1])c2c1oc1ccccc1c2=O
CCCOc1cccc([C@H]2NC(=O)c3oc4ccccc4c(=O)c32)c1 CCC[*:1] O=C1N[C@H](c2cccc(c2)O[*:1])c2c1oc1ccccc1c2=O
CC[C@H](NC(=O)/C=C/c1ccc(NC(C)=O)cc1)c1ccc2c(c1)OCCO2 CC(=O)N[*:1] CC[C@H](NC(=O)/C=C/c1ccc(cc1)[*:1])c1ccc2OCCOc2c1
Cc1ccc(CC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1O Cc1ccc(cc1O)[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccncc1
Cc1ccc(CC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1O c1cc(ccn1)[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1oc(-c2ccccc2)nc1Cn1nnc(C(=O)Nc2ccc(F)cc2)c1N Fc1ccc(cc1)[*:1] Cc1oc(nc1Cn1nnc(C(=O)N[*:1])c1N)-c1ccccc1
Cc1oc(-c2ccccc2)nc1Cn1nnc(C(=O)Nc2ccc(F)cc2)c1N c1ccc(cc1)[*:1] Cc1oc(nc1Cn1nnc(C(=O)Nc2ccc(F)cc2)c1N)[*:1]
CC(=O)N[C@@H](CC(=O)OCc1cn2ccccc2c1C#N)c1ccc(Cl)cc1 CC(=O)N[*:1] N#Cc1c(cn2ccccc12)COC(=O)C[C@@H](c1ccc(Cl)cc1)[*:1]
CC(=O)N[C@@H](CC(=O)OCc1cn2ccccc2c1C#N)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)OCc1cn2ccccc2c1C#N)[*:1]
CC(=O)Nc1ccc(C)c(NCc2ccc(OC(F)F)cc2)c1 FC(F)O[*:1] CC(=O)Nc1ccc(C)c(c1)NCc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C)c(NCc2ccc(OC(F)F)cc2)c1 CC(=O)N[*:1] Cc1ccc(cc1NCc1ccc(cc1)OC(F)F)[*:1]
CC(=O)Nc1ccc(C)c(NCc2ccc(OC(F)F)cc2)c1 FC(F)[*:1] CC(=O)Nc1ccc(C)c(c1)NCc1ccc(cc1)O[*:1]
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 COC[*:1] CCOC(=O)[C@@H]1C(=O)N(C[*:1])c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 COCC[*:1] CCOC(=O)[C@@H]1C(=O)N(c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1)[*:1]
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 CCOC(=O)[*:1] COCCN1C(=O)[C@H]([C@H](c2ccc(Cl)cc2)n2c1nc1ccccc12)[*:1]
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1[*:1]
Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1O Cc1ccc(cc1O)C[*:1] O=C([C@H](Cc1ccccc1)NC(=O)[*:1])N1CCCC1
Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1O O=C(N1CCCC1)[*:1] Cc1ccc(cc1O)CC(=O)N[C@@H](Cc1ccccc1)[*:1]
Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1O c1ccc(cc1)C[*:1] Cc1ccc(cc1O)CC(=O)N[C@@H](C(=O)N1CCCC1)[*:1]
Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1O Cc1ccc(cc1O)[*:1] O=C(C[*:1])N[C@@H](Cc1ccccc1)C(=O)N1CCCC1
Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1O c1ccc(cc1)[*:1] Cc1ccc(cc1O)CC(=O)N[C@@H](C[*:1])C(=O)N1CCCC1
CCc1ccsc1C[NH2+]Cc1cnc(C)n1-c1ccccc1 CCc1ccsc1[*:1] Cc1ncc(C[NH2+]C[*:1])n1-c1ccccc1
CCc1ccsc1C[NH2+]Cc1cnc(C)n1-c1ccccc1 c1ccc(cc1)[*:1] CCc1ccsc1C[NH2+]Cc1cnc(C)n1[*:1]
C[C@@H](NC(=O)N1CCN(C(=O)N2CCOCC2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)C(=O)N1CCOCC1)[*:1]
C[C@@H](NC(=O)N1CCN(C(=O)N2CCOCC2)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)N1CCOCC1
CCCCN(Cc1ccccc1F)C(=O)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C([C@H]1CCS(=O)(=O)C1)N(Cc1ccccc1F)[*:1]
CCCCN(Cc1ccccc1F)C(=O)[C@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] CCCCN(C[*:1])C(=O)[C@H]1CCS(=O)(=O)C1
CCCCN(Cc1ccccc1F)C(=O)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C([C@H]1CCS(=O)(=O)C1)N(Cc1ccccc1F)C[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCn2c(nnc2C2CC2)C1 c1ccc(cc1)[*:1] NC(=O)[C@@H](N1CCn2c(C1)nnc2C1CC1)[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCn2c(nnc2C2CC2)C1 C1CC1[*:1] NC(=O)[C@@H](c1ccccc1)N1CCn2c(C1)nnc2[*:1]
NC(=O)[C@@H](c1ccccc1)N1CCn2c(nnc2C2CC2)C1 NC(=O)[*:1] c1ccc(cc1)[C@@H](N1CCn2c(C1)nnc2C1CC1)[*:1]
C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Cl)cc1Cl O=S(=O)(NC1CC1)[*:1] C[C@@H](NS(=O)(=O)c1cccc(c1)[*:1])c1ccc(Cl)cc1Cl
C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@@H](NS(=O)(=O)c1cccc(c1)S(=O)(=O)NC1CC1)[*:1]
C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Cl)cc1Cl C1CC1[*:1] C[C@@H](NS(=O)(=O)c1cccc(c1)S(=O)(=O)N[*:1])c1ccc(Cl)cc1Cl
C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@H](O)c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] C[C@]1(NC(=O)N(C[C@H](O)[*:1])C1=O)c1ccc2CCCc2c1
C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@H](O)c2c(F)cccc2F)C1=O c1cc2CCCc2cc1[*:1] C[C@]1(NC(=O)N(C[C@H](O)c2c(F)cccc2F)C1=O)[*:1]
Cc1nnc(SCC2=NC(=O)C3=C4CC[C@@H](C)C[C@H]4SC3=N2)n1C Cc1nnc(n1C)[*:1] C[C@@H]1CCC2=C3C(=O)N=C(CS[*:1])N=C3S[C@@H]2C1
Cc1nnc(SCC2=NC(=O)C3=C4CC[C@@H](C)C[C@H]4SC3=N2)n1C Cc1nnc(S[*:1])n1C C[C@@H]1CCC2=C3C(=O)N=C(C[*:1])N=C3S[C@@H]2C1
CCCCn1nnc(N)c1CCC CCC[*:1] CCCCn1nnc(N)c1[*:1]
CCCCn1nnc(N)c1CCC CCCC[*:1] CCCc1c(N)nnn1[*:1]
CCCCn1nnc(N)c1CCC CCC[*:1] CCCc1c(N)nnn1C[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)[C@@H]1CCCN1c1ncnc2sccc12 C[C@@H](O)[*:1] C[C@@H](CNC(=O)[C@@H]1CCCN1c1ncnc2sccc12)C[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)[C@@H]1CCCN1c1ncnc2sccc12 C[C@@H](O)C[*:1] C[C@@H](CNC(=O)[C@@H]1CCCN1c1ncnc2sccc12)[*:1]
CCC[NH+]1CCCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 CCC[*:1] CC(C)(C)OC(=O)NCc1ccc(o1)C(=O)N1CCC[NH+](CC1)[*:1]
CCC[NH+]1CCCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 CC(C)(C)OC(=O)N[*:1] CCC[NH+]1CCCN(CC1)C(=O)c1ccc(C[*:1])o1
CCC[NH+]1CCCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 CC(C)(C)[*:1] CCC[NH+]1CCCN(CC1)C(=O)c1ccc(CNC(=O)O[*:1])o1
CC(C)CNC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 CC(C)CNC(=O)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 CC(C)C[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@@H](C#N)Sc1nnc(-c2ccc(F)cc2)n1N C[C@@H](C#N)[*:1] Nn1c(nnc1-c1ccc(F)cc1)S[*:1]
C[C@@H](C#N)Sc1nnc(-c2ccc(F)cc2)n1N C[C@@H](C#N)S[*:1] Nn1c(nnc1[*:1])-c1ccc(F)cc1
CC(C)N(C)S(=O)(=O)N1CCC[C@@H]1C(N)=O NC(=O)[*:1] CC(C)N(C)S(=O)(=O)N1CCC[C@H]1[*:1]
CC(C)N(C)S(=O)(=O)N1CCC[C@@H]1C(N)=O CC(C)[*:1] CN(S(=O)(=O)N1CCC[C@@H]1C(N)=O)[*:1]
CC(C)[C@@](C)(CC(=O)N[C@H]1CCCC1(C)C)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@](C)(CC(=O)N[C@H]1CCCC1(C)C)[*:1]
CC(C)[C@@](C)(CC(=O)N[C@H]1CCCC1(C)C)C(=O)[O-] CC(C)[*:1] CC1(C)CCC[C@@H]1NC(=O)C[C@](C)(C(=O)[O-])[*:1]
CS(=O)(=O)c1ccc2nc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)sc2c1 CS(=O)(=O)[*:1] O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1nc2ccc(cc2s1)[*:1]
COc1ccc(NC(=O)C(=O)NCc2ccccc2OC)cc1Cl COc1ccccc1[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)NC[*:1]
CCCn1cc([C@H]([NH2+]CC)[C@@H]2CN(C)CCO2)cn1 CCC[*:1] CC[NH2+][C@@H](c1cnn(c1)[*:1])[C@@H]1CN(C)CCO1
O=C(C1CC1)N1CCC2(CC1)OC[C@H](C(=O)N1CCOCC1)N2C(=O)c1ccccc1 C1CC1[*:1] O=C([C@H]1COC2(CCN(CC2)C(=O)[*:1])N1C(=O)c1ccccc1)N1CCOCC1
O=C(C1CC1)N1CCC2(CC1)OC[C@H](C(=O)N1CCOCC1)N2C(=O)c1ccccc1 O=C(N1CCOCC1)[*:1] O=C(C1CC1)N1CCC2(CC1)OC[C@H](N2C(=O)c1ccccc1)[*:1]
O=C(C1CC1)N1CCC2(CC1)OC[C@H](C(=O)N1CCOCC1)N2C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(C1CC1)N1CCC2(CC1)OC[C@H](C(=O)N1CCOCC1)N2C(=O)[*:1]
C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(Br)ccc1OC C=CC[*:1] COc1ccc(Br)cc1[C@@H]1C(C(=O)O[*:1])=C(C)Nc2ncnn21
C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(Br)ccc1OC C=CCOC(=O)[*:1] COc1ccc(Br)cc1[C@@H]1C(=C(C)Nc2ncnn21)[*:1]
FC(F)C(F)(F)CN1CCN(c2cncc(Br)c2)CC1 FC(F)[*:1] FC(F)(CN1CCN(CC1)c1cncc(Br)c1)[*:1]
FC(F)C(F)(F)CN1CCN(c2cncc(Br)c2)CC1 FC(F)C(F)(F)[*:1] Brc1cncc(c1)N1CCN(CC1)C[*:1]
CC(=O)N(C)n1cnn(CC(=O)[O-])c1=S O=C([O-])[*:1] CC(=O)N(C)n1cnn(C[*:1])c1=S
CC(=O)N(C)n1cnn(CC(=O)[O-])c1=S O=C([O-])C[*:1] CC(=O)N(C)n1cnn(c1=S)[*:1]
Cc1ccccc1-c1noc2ncnc(NCCCO)c12 OCC[*:1] Cc1ccccc1-c1noc2ncnc(NC[*:1])c12
Cc1ccccc1-c1noc2ncnc(NCCCO)c12 Cc1ccccc1[*:1] OCCCNc1ncnc2onc(c12)[*:1]
Cc1ccccc1-c1noc2ncnc(NCCCO)c12 OCCCN[*:1] Cc1ccccc1-c1noc2ncnc(c12)[*:1]
Cc1ccccc1-c1noc2ncnc(NCCCO)c12 OCCC[*:1] Cc1ccccc1-c1noc2ncnc(N[*:1])c12
CCC(=O)Nc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2ccccc12 CCC(=O)N[*:1] O=C(c1oc2ccccc2c1[*:1])N1CCN(CC1)c1ccc(F)cc1
CCC(=O)Nc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2ccccc12 Fc1ccc(cc1)[*:1] CCC(=O)Nc1c(oc2ccccc12)C(=O)N1CCN(CC1)[*:1]
O=C1C[C@@H](c2ccc(F)cc2)c2sc(Nc3ccccc3)nc2N1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](c2sc(nc2N1)Nc1ccccc1)[*:1]
O=C1C[C@@H](c2ccc(F)cc2)c2sc(Nc3ccccc3)nc2N1 c1ccc(cc1)N[*:1] O=C1C[C@@H](c2ccc(F)cc2)c2sc(nc2N1)[*:1]
O=C1C[C@@H](c2ccc(F)cc2)c2sc(Nc3ccccc3)nc2N1 c1ccc(cc1)[*:1] O=C1C[C@@H](c2ccc(F)cc2)c2sc(nc2N1)N[*:1]
O=C([C@@H]1CCCO1)N1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 C1CO[C@@H](C1)[*:1] O=C(N1CCN(CC1)C[C@H](O)c1ccc(Cl)cc1)[*:1]
O=C([C@@H]1CCCO1)N1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)C[C@H](O)[*:1]
O=C(Cn1ccnc1-c1ccccc1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=C(Cn1ccnc1-c1ccccc1)N1CCC[C@H](C1)N[*:1]
O=C(Cn1ccnc1-c1ccccc1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 c1ccc(cc1)[*:1] O=C(Cn1ccnc1[*:1])N1CCC[C@H](C1)Nc1ccc(F)c(F)c1
O=C(Cn1ccnc1-c1ccccc1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)N[*:1] O=C(Cn1ccnc1-c1ccccc1)N1CCC[C@@H](C1)[*:1]
O=C1CC[C@H](COC(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)N1 C1CC1[*:1] O=C1CC[C@H](COC(=O)c2cc(nc3ccc(Cl)cc23)[*:1])N1
CCc1ccccc1N(CC(=O)Nc1ccc(I)cc1C)S(C)(=O)=O Cc1cc(I)ccc1[*:1] CCc1ccccc1N(CC(=O)N[*:1])S(C)(=O)=O
CCc1ccccc1N(CC(=O)Nc1ccc(I)cc1C)S(C)(=O)=O CCc1ccccc1[*:1] Cc1cc(I)ccc1NC(=O)CN(S(C)(=O)=O)[*:1]
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OC(C)C)cc3)c2C#N)C1 CC(C)[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)c1ccc(cc1)O[*:1])c2C#N
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OC(C)C)cc3)c2C#N)C1 CC(C)O[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)c1ccc(cc1)[*:1])c2C#N
NNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 c1csc(c1)[*:1] NNC(=O)c1ccccc1[N-]S(=O)(=O)[*:1]
NNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 NNC(=O)[*:1] O=S(=O)([N-]c1ccccc1[*:1])c1cccs1
COCCN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C COCC[*:1] Cc1nn(c2nc(cc(C(=O)N(C)[*:1])c12)C1CC1)C(C)(C)C
COCCN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C COCCN(C)C(=O)[*:1] Cc1nn(c2nc(cc(c12)[*:1])C1CC1)C(C)(C)C
COCCN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C C1CC1[*:1] COCCN(C)C(=O)c1cc(nc2c1c(C)nn2C(C)(C)C)[*:1]
COCCN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C CC(C)(C)[*:1] COCCN(C)C(=O)c1cc(nc2c1c(C)nn2[*:1])C1CC1
COCCN(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C COC[*:1] Cc1nn(c2nc(cc(C(=O)N(C)C[*:1])c12)C1CC1)C(C)(C)C
CC(=O)N1CC[NH+](C[C@@H](CC(=O)Nc2ccccc2F)C(=O)[O-])CC1 Fc1ccccc1[*:1] CC(=O)N1CC[NH+](CC1)C[C@@H](CC(=O)N[*:1])C(=O)[O-]
CC(=O)N1CC[NH+](C[C@@H](CC(=O)Nc2ccccc2F)C(=O)[O-])CC1 O=C([O-])[*:1] CC(=O)N1CC[NH+](CC1)C[C@@H](CC(=O)Nc1ccccc1F)[*:1]
CC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1)c1noc(C)n1 Fc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1cc(c(C)s1)[*:1])c1noc(C)n1
CC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1)[*:1]
CCCc1cc(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)n(C)n1 CCC[*:1] CC[NH+](CC)[C@H]1CCN(C1)C(=O)Nc1cc(nn1C)[*:1]
CCOC(=O)[C@H]1[C@@H]2NC(=S)N(CCOC)[C@@]1(C)Oc1ccc(OC)cc12 COC[*:1] CCOC(=O)[C@H]1[C@@H]2NC(=S)N(C[*:1])[C@@]1(C)Oc1ccc(cc12)OC
CCOC(=O)[C@H]1[C@@H]2NC(=S)N(CCOC)[C@@]1(C)Oc1ccc(OC)cc12 COCC[*:1] CCOC(=O)[C@H]1[C@@H]2NC(=S)N([C@@]1(C)Oc1ccc(cc12)OC)[*:1]
CCOC(=O)[C@H]1[C@@H]2NC(=S)N(CCOC)[C@@]1(C)Oc1ccc(OC)cc12 CCOC(=O)[*:1] COCCN1C(=S)N[C@@H]2c3cc(ccc3O[C@@]1(C)[C@H]2[*:1])OC
Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)Nc4ccc(Br)c(C)c4)C3)ncn2)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(ccc1Br)NC(=O)[C@@H]1CCCN(C1)c1cc(ncn1)[*:1]
Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)Nc4ccc(Br)c(C)c4)C3)ncn2)n1 Cc1cc(ccc1Br)[*:1] Cc1cc(C)n(n1)-c1cc(ncn1)N1CCC[C@H](C1)C(=O)N[*:1]
COCCN(CC(F)(F)F)C1CCC(c2ccc(O)cc2)CC1 COCC[*:1] Oc1ccc(cc1)C1CCC(CC1)N(CC(F)(F)F)[*:1]
COCCN(CC(F)(F)F)C1CCC(c2ccc(O)cc2)CC1 FC(F)(F)[*:1] COCCN(C[*:1])C1CCC(CC1)c1ccc(O)cc1
COCCN(CC(F)(F)F)C1CCC(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] COCCN(CC(F)(F)F)C1CCC(CC1)[*:1]
COCCN(CC(F)(F)F)C1CCC(c2ccc(O)cc2)CC1 COC[*:1] Oc1ccc(cc1)C1CCC(CC1)N(CC(F)(F)F)C[*:1]
COCCN(CC(F)(F)F)C1CCC(c2ccc(O)cc2)CC1 FC(F)(F)C[*:1] COCCN(C1CCC(CC1)c1ccc(O)cc1)[*:1]
CSC[C@@](C)(O)CNc1ncnc2c1oc1ccccc12 CSC[*:1] C[C@@](O)(CNc1ncnc2c1oc1ccccc12)[*:1]
CN(c1ccc(OCCOc2ccc(F)cc2Cl)cc1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] Fc1ccc(OCCOc2ccc(cc2)[*:1])c(Cl)c1
CN(c1ccc(OCCOc2ccc(F)cc2Cl)cc1)S(C)(=O)=O Fc1ccc(c(Cl)c1)[*:1] CN(c1ccc(cc1)OCCO[*:1])S(C)(=O)=O
COc1ccc(-c2nonc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1C COc1ccc(cc1C)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1nonc1[*:1]
COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O)CC2 CS(=O)(=O)N[*:1] COc1ccc2CC[C@@H](Cc2c1)[NH2+]C[C@@H]1CCC[C@H]1[*:1]
C[NH+](C)CC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 c1ccc(cc1)CC[*:1] C[NH+](C)CC(=O)Nc1cccc(c1)NC(=O)[*:1]
C[NH+](C)CC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 c1ccc(cc1)C[*:1] C[NH+](C)CC(=O)Nc1cccc(c1)NC(=O)C[*:1]
C[NH+](C)CC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 c1ccc(cc1)[*:1] C[NH+](C)CC(=O)Nc1cccc(c1)NC(=O)CC[*:1]
CC[C@H](C)OCC(=O)N(c1ccc(C#N)cc1)C1CC1 C1CC1[*:1] CC[C@H](C)OCC(=O)N(c1ccc(C#N)cc1)[*:1]
CC[C@H](C)OCC(=O)N(c1ccc(C#N)cc1)C1CC1 CC[C@H](C)O[*:1] N#Cc1ccc(cc1)N(C(=O)C[*:1])C1CC1
CC[C@H](C)OCC(=O)N(c1ccc(C#N)cc1)C1CC1 CC[C@H](C)[*:1] N#Cc1ccc(cc1)N(C(=O)CO[*:1])C1CC1
Cn1c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc2sccc21 O=C([O-])[*:1] Cn1c(cc2sccc21)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1oc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N1CCCC[C@H]1C[NH+](C)C
COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)[C@H]3Oc4ccccc4O[C@@H]3C)nc12 C1CN(CCO1)C[*:1] COc1ccc(C)c2sc(nc12)N(C[*:1])C(=O)[C@H]1Oc2ccccc2O[C@@H]1C
COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)[C@H]3Oc4ccccc4O[C@@H]3C)nc12 C1CN(CCO1)[*:1] COc1ccc(C)c2sc(nc12)N(CC[*:1])C(=O)[C@H]1Oc2ccccc2O[C@@H]1C
COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)[C@H]3Oc4ccccc4O[C@@H]3C)nc12 C1CN(CCO1)CC[*:1] COc1ccc(C)c2sc(nc12)N(C(=O)[C@H]1Oc2ccccc2O[C@@H]1C)[*:1]
O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NNc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NN[*:1]
Cc1[nH]c2c(c1C(=O)N1CCOCC1)CN(C(=O)Cc1cccc(Cl)c1)CC2 Clc1cccc(c1)[*:1] Cc1[nH]c2CCN(Cc2c1C(=O)N1CCOCC1)C(=O)C[*:1]
Cc1[nH]c2c(c1C(=O)N1CCOCC1)CN(C(=O)Cc1cccc(Cl)c1)CC2 O=C(N1CCOCC1)[*:1] Cc1[nH]c2CCN(Cc2c1[*:1])C(=O)Cc1cccc(Cl)c1
Cc1[nH]c2c(c1C(=O)N1CCOCC1)CN(C(=O)Cc1cccc(Cl)c1)CC2 Clc1cccc(c1)C[*:1] Cc1[nH]c2CCN(Cc2c1C(=O)N1CCOCC1)C(=O)[*:1]
C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cnccn1 Cn1ccc(n1)[*:1] C[C@H](N[C@@H]1CCCN(C1=O)[*:1])c1cnccn1
C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cnccn1 c1cnc(cn1)[*:1] C[C@H](N[C@@H]1CCCN(C1=O)c1ccn(C)n1)[*:1]
CSc1ncc(Cl)c(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)n1 FC(F)(F)[*:1] CSc1ncc(Cl)c(n1)C(=O)NCCSc1ncc(cc1Cl)[*:1]
CCS(=O)(=O)c1cccc(NCc2ccccc2)c1 CCS(=O)(=O)[*:1] c1ccc(cc1)CNc1cccc(c1)[*:1]
CCS(=O)(=O)c1cccc(NCc2ccccc2)c1 c1ccc(cc1)[*:1] CCS(=O)(=O)c1cccc(c1)NC[*:1]
Cc1nc(C[NH2+][C@@H](C)c2ccsc2)c(C)s1 c1cc(cs1)[*:1] Cc1nc(C[NH2+][C@@H](C)[*:1])c(C)s1
O=C(COc1ccc(Nc2ccccc2)cc1)N1CCC2(CC1)OCCO2 c1ccc(cc1)N[*:1] O=C(COc1ccc(cc1)[*:1])N1CCC2(CC1)OCCO2
O=C(COc1ccc(Nc2ccccc2)cc1)N1CCC2(CC1)OCCO2 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)N[*:1])N1CCC2(CC1)OCCO2
CCCC(=O)N(Cc1nc2nc(C)cc([O-])n2n1)c1ccc(OCC)cc1 CCO[*:1] CCCC(=O)N(Cc1nc2nc(C)cc([O-])n2n1)c1ccc(cc1)[*:1]
CCCC(=O)N(Cc1nc2nc(C)cc([O-])n2n1)c1ccc(OCC)cc1 CCOc1ccc(cc1)[*:1] CCCC(=O)N(Cc1nc2nc(C)cc([O-])n2n1)[*:1]
CCCC(=O)N(Cc1nc2nc(C)cc([O-])n2n1)c1ccc(OCC)cc1 CCC[*:1] CCOc1ccc(cc1)N(Cc1nc2nc(C)cc([O-])n2n1)C(=O)[*:1]
O=C(NCc1cc[nH]n1)c1cc2ccccc2o1 c1cc(C[*:1])n[nH]1 O=C(N[*:1])c1cc2ccccc2o1
O=C(NCc1cc[nH]n1)c1cc2ccccc2o1 c1cc(n[nH]1)[*:1] O=C(NC[*:1])c1cc2ccccc2o1
O=C([O-])CCc1cc2n(n1)CCCN(C(=O)[C@H]1CC(=O)Nc3ccccc31)C2 O=C([O-])C[*:1] O=C1C[C@H](C(=O)N2CCCn3nc(cc3C2)C[*:1])c2ccccc2N1
O=C([O-])CCc1cc2n(n1)CCCN(C(=O)[C@H]1CC(=O)Nc3ccccc31)C2 O=C([O-])[*:1] O=C1C[C@H](C(=O)N2CCCn3nc(cc3C2)CC[*:1])c2ccccc2N1
O=C([O-])CCc1cc2n(n1)CCCN(C(=O)[C@H]1CC(=O)Nc3ccccc31)C2 O=C([O-])CC[*:1] O=C1C[C@H](C(=O)N2CCCn3nc(cc3C2)[*:1])c2ccccc2N1
C[C@@H]1CC(C(=O)Nc2ccccc2Sc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccccc1S[*:1]
C[C@@H]1CC(C(=O)Nc2ccccc2Sc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)S[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccccc1[*:1]
C[C@H](c1ccco1)N(C(=O)c1ccc2c(c1)COCO2)C1CC1 C[C@H](c1ccco1)[*:1] O=C(c1ccc2OCOCc2c1)N(C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)c1ccc2c(c1)COCO2)C1CC1 c1coc(c1)[*:1] C[C@H](N(C(=O)c1ccc2OCOCc2c1)C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)c1ccc2c(c1)COCO2)C1CC1 C1CC1[*:1] C[C@H](c1ccco1)N(C(=O)c1ccc2OCOCc2c1)[*:1]
CC(C)(CNc1cnn(CC(F)F)c1)S(C)(=O)=O FC(F)C[*:1] CC(C)(CNc1cnn(c1)[*:1])S(C)(=O)=O
CC(C)(CNc1cnn(CC(F)F)c1)S(C)(=O)=O FC(F)[*:1] CC(C)(CNc1cnn(c1)C[*:1])S(C)(=O)=O
CC(C)(CNc1cnn(CC(F)F)c1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNc1cnn(c1)CC(F)F)[*:1]
[NH3+][C@@H](c1cnccn1)[C@H]1CCOC2(CCOCC2)C1 c1cnc(cn1)[*:1] [NH3+][C@@H]([C@H]1CCOC2(CCOCC2)C1)[*:1]
Cn1cccc1C(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 Cn1cccc1[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)[*:1])NCc1ccccc1F
Cn1cccc1C(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 Fc1ccccc1[*:1] Cn1cccc1C(=O)N1CCC[C@@H](CCC(=O)NC[*:1])C1
Cn1cccc1C(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 Fc1ccccc1C[*:1] Cn1cccc1C(=O)N1CCC[C@@H](CCC(=O)N[*:1])C1
CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCO[C@]3(CCSC3)C1)CCCO2 CC(C)[*:1] c1cc2OCCC[C@H]([NH2+][C@@H]3CCO[C@]4(CCSC4)C3)c2cc1[*:1]
CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCC CCO[*:1] CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1[*:1]
CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCC CCO[*:1] CCOc1c(Cl)cc(/C=C2\SC(=N)NC2=O)cc1[*:1]
COCC[C@@H](C)NC(=O)C(=O)Nc1cccnc1C COCC[C@@H](C)[*:1] Cc1ncccc1NC(=O)C(=O)N[*:1]
COCC[C@@H](C)NC(=O)C(=O)Nc1cccnc1C COC[*:1] Cc1ncccc1NC(=O)C(=O)N[C@H](C)C[*:1]
COCC[C@@H](C)NC(=O)C(=O)Nc1cccnc1C COCC[*:1] Cc1ncccc1NC(=O)C(=O)N[C@H](C)[*:1]
CC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1 O=C1CCCN1C[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N[C@H](c1ccccc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C1CCCN1C[C@@H](NS(=O)(=O)[*:1])c1ccccc1
CC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1 O=C1CCCN1[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N[C@H](C[*:1])c1ccccc1
CC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N[C@H](CN1CCCC1=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1 CC(=O)[*:1] O=C1CCCN1C[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1ccccc1
O=C([O-])CN(CC(=O)[O-])[N+](=O)[O-] O=C([O-])C[*:1] O=C([O-])CN([N+](=O)[O-])[*:1]
O=C([O-])CN(CC(=O)[O-])[N+](=O)[O-] O=C([O-])[*:1] O=C([O-])CN(C[*:1])[N+](=O)[O-]
COC[C@H](C)NC(=O)c1cc(C)on1 COC[*:1] Cc1cc(no1)C(=O)N[C@@H](C)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)Nc1nc(-c2ccc(cc2)OC(F)F)c(C)s1)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)c1 FC(F)O[*:1] COc1ccc(c(c1)C(=O)Nc1nc(-c2ccc(cc2)[*:1])c(C)s1)[N+](=O)[O-]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)c1 FC(F)[*:1] COc1ccc(c(c1)C(=O)Nc1nc(-c2ccc(cc2)O[*:1])c(C)s1)[N+](=O)[O-]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)c1 FC(F)Oc1ccc(cc1)[*:1] COc1ccc(c(c1)C(=O)Nc1nc(c(C)s1)[*:1])[N+](=O)[O-]
OCCn1ncc2c(SC3CCCCC3)ncnc21 OCC[*:1] c1nc(SC2CCCCC2)c2cnn(c2n1)[*:1]
OCCn1ncc2c(SC3CCCCC3)ncnc21 C1CCC(CC1)[*:1] OCCn1ncc2c(ncnc21)S[*:1]
CCCCC(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 CCC[*:1] O=C(C[*:1])N1CCN(CC1)c1cc(ncn1)-n1cccn1
CCCCC(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 c1cnn(c1)[*:1] CCCCC(=O)N1CCN(CC1)c1cc(ncn1)[*:1]
CCCCC(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 CCCC[*:1] O=C(N1CCN(CC1)c1cc(ncn1)-n1cccn1)[*:1]
Cc1ccc(NCc2noc(C(C)C)n2)c(F)c1 CC(C)[*:1] Cc1ccc(NCc2noc(n2)[*:1])c(F)c1
CCOC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 CCOC(=O)[*:1] O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)c1ccccc1[N-]S(=O)(=O)[*:1]
O=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(COC(=O)C1=Cc2ccccc2OC1)N[*:1]
O=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(COC(=O)C1=Cc2ccccc2OC1)NC[*:1]
CCN(CC)C(=O)[C@@H](Nc1ccc(C(N)=O)cc1)c1ccccc1 CCN(CC)C(=O)[*:1] NC(=O)c1ccc(cc1)N[C@@H](c1ccccc1)[*:1]
CCN(CC)C(=O)[C@@H](Nc1ccc(C(N)=O)cc1)c1ccccc1 NC(=O)[*:1] CCN(CC)C(=O)[C@@H](Nc1ccc(cc1)[*:1])c1ccccc1
CCN(CC)C(=O)[C@@H](Nc1ccc(C(N)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@@H](Nc1ccc(cc1)C(N)=O)[*:1]
C[C@H]([NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)cc1)c1cnn(C)c1 Fc1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)c1ccc(cc1)[*:1])c1cnn(C)c1
C[C@H]([NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)cc1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H]([NH2+][C@H](C)c1ccc(cc1)-c1ccc(F)cc1)[*:1]
COc1ccc(CC(=O)N[C@@H](C)c2ccc(C)o2)c(OC)c1 Cc1ccc(o1)[*:1] COc1ccc(CC(=O)N[C@@H](C)[*:1])c(c1)OC
CC(=O)Nc1ccc(S(=O)(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1sc(cc1C(N)=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 CC(=O)N[*:1] NC(=O)c1cc(sc1NS(=O)(=O)c1ccc(cc1)[*:1])-c1ccccc1
CC(=O)Nc1ccc(S(=O)(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 NC(=O)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1sc(cc1[*:1])-c1ccccc1
CCOC(=O)C(=Cc1cc2ccc(C)cc2nc1Cl)C(=O)OCC CCOC(=O)[*:1] CCOC(=O)C(=Cc1cc2ccc(C)cc2nc1Cl)[*:1]
Cc1nc(C)c(CC(=O)NCc2ccc(Cl)s2)c(=O)[nH]1 Clc1ccc(s1)[*:1] Cc1nc(C)c(CC(=O)NC[*:1])c(=O)[nH]1
Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 Cc1cccc(C)c1[*:1] NC(=O)c1c(NC(=O)CSc2nnnn2[*:1])sc2CCCCc21
Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 NC(=O)[*:1] Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1sc2CCCCc2c1[*:1]
Cc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 Cc1ccc(cc1)[*:1] O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)[*:1]
C[C@@H](CNC(=O)Cc1cn2ccsc2n1)Oc1ccccc1F Fc1ccccc1[*:1] C[C@@H](CNC(=O)Cc1cn2ccsc2n1)O[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)Cn1nnnc1C(C)C CC(C)[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)Cn1nnnc1[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)Cn1nnnc1C(C)C CC(C)c1nnnn1[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)C[*:1]
COC[C@H](NC(=O)N[C@@H]1CCCn2ncnc21)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@@H]1CCCn2ncnc21)N[C@H](c1ccc(F)c(F)c1)[*:1]
COC[C@H](NC(=O)N[C@@H]1CCCn2ncnc21)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)N[C@@H]1CCCn2ncnc21)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](O)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](O)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](O)c1c(F)cccc1F O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])NC[C@H](O)c1c(F)cccc1F
O=c1cc(CNc2ccc(Cl)c(C(F)(F)F)c2)nc2sccn12 FC(F)(F)[*:1] O=c1cc(CNc2ccc(Cl)c(c2)[*:1])nc2sccn12
O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1ccco1 c1coc(c1)[*:1] O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)NC[*:1]
O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1ccco1 c1coc(c1)C[*:1] O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)N[*:1]
Cc1cccc(-n2c(C)nnc2SC[C@H](O)COc2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)[*:1] Cc1cccc(c1)-n1c(C)nnc1SC[C@H](O)CO[*:1]
Cc1cccc(-n2c(C)nnc2SC[C@H](O)COc2ccc(C#N)cc2)c1 Cc1cccc(c1)[*:1] Cc1nnc(SC[C@H](O)COc2ccc(C#N)cc2)n1[*:1]
Cc1cccc(-n2c(C)nnc2SC[C@H](O)COc2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)O[*:1] Cc1cccc(c1)-n1c(C)nnc1SC[C@H](O)C[*:1]
CC(C)COC[C@@H](NC(=O)[C@@H]1CCC(=O)O1)c1ccco1 CC(C)COC[*:1] O=C1CC[C@H](O1)C(=O)N[C@@H](c1ccco1)[*:1]
CC(C)COC[C@@H](NC(=O)[C@@H]1CCC(=O)O1)c1ccco1 CC(C)CO[*:1] O=C1CC[C@H](O1)C(=O)N[C@H](C[*:1])c1ccco1
CC(C)COC[C@@H](NC(=O)[C@@H]1CCC(=O)O1)c1ccco1 c1coc(c1)[*:1] CC(C)COC[C@@H](NC(=O)[C@@H]1CCC(=O)O1)[*:1]
CC(C)COC[C@@H](NC(=O)[C@@H]1CCC(=O)O1)c1ccco1 CC(C)[*:1] O=C1CC[C@H](O1)C(=O)N[C@H](COC[*:1])c1ccco1
CC(C)COC[C@@H](NC(=O)[C@@H]1CCC(=O)O1)c1ccco1 CC(C)C[*:1] O=C1CC[C@H](O1)C(=O)N[C@H](CO[*:1])c1ccco1
CC(C)COC[C@@H](NC(=O)[C@@H]1CCC(=O)O1)c1ccco1 O=C1CC[C@H](O1)[*:1] CC(C)COC[C@@H](NC(=O)[*:1])c1ccco1
Cn1c(-c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 c1ccc(cc1)[*:1] Cn1c(nc2-c3ccccc3CC3(CCCC3)c2c1=O)[*:1]
CCOc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)ccc1OC N#Cc1ccc(cc1)[*:1] CCOc1cc(ccc1OC)C[NH+]1CCN(C[*:1])C(=O)C1
CCOc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C[NH+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1
CCOc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)ccc1OC N#Cc1ccc(cc1)C[*:1] CCOc1cc(ccc1OC)C[NH+]1CCN(C(=O)C1)[*:1]
COc1cccc2cc(/C=C/C(=O)Nc3nc(-c4ccccn4)cs3)oc12 c1ccc(nc1)[*:1] COc1cccc2cc(/C=C/C(=O)Nc3nc(cs3)[*:1])oc12
Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H](C)Cl)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Cl)C(=O)Nc1ccccc1C(=O)NC[*:1]
Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H](C)Cl)cc1 C[C@@H](Cl)C(=O)N[*:1] Cc1ccc(cc1)CNC(=O)c1ccccc1[*:1]
O=C([C@@H]1C=C(c2ccccn2)N=N1)N1CCc2ccccc21 c1ccc(nc1)[*:1] O=C([C@@H]1C=C(N=N1)[*:1])N1CCc2ccccc21
Cc1nc2ccccn2c1C(=O)NCC1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] Cc1nc2ccccn2c1C(=O)NCC1(CCOCC1)[*:1]
CSc1ncccc1C(=O)Nc1c(C(C)C)cccc1C(C)C CC(C)[*:1] CSc1ncccc1C(=O)Nc1c(cccc1[*:1])C(C)C
Cc1ccc(CNC(=O)N[C@H]2CCSc3ccccc32)n1C Cc1ccc(n1C)[*:1] O=C(NC[*:1])N[C@H]1CCSc2ccccc21
O=S(=O)(Cc1csc(-c2ccco2)n1)c1ccccc1Cl Clc1ccccc1[*:1] O=S(=O)(Cc1csc(n1)-c1ccco1)[*:1]
O=S(=O)(Cc1csc(-c2ccco2)n1)c1ccccc1Cl c1coc(c1)[*:1] O=S(=O)(Cc1csc(n1)[*:1])c1ccccc1Cl
CCCCNC(=O)/C(C#N)=C/c1ccc(F)c([N+](=O)[O-])c1 CCC[*:1] N#C/C(=C\c1ccc(F)c(c1)[N+](=O)[O-])C(=O)NC[*:1]
CCCCNC(=O)/C(C#N)=C/c1ccc(F)c([N+](=O)[O-])c1 CCCC[*:1] N#C/C(=C\c1ccc(F)c(c1)[N+](=O)[O-])C(=O)N[*:1]
CCCCNC(=O)/C(C#N)=C/c1ccc(F)c([N+](=O)[O-])c1 CCCCNC(=O)[*:1] N#CC(=Cc1ccc(F)c(c1)[N+](=O)[O-])[*:1]
CCCCNC(=O)/C(C#N)=C/c1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCCCNC(=O)/C(C#N)=C/c1ccc(F)c(c1)[*:1]
C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 C[C@H]1CCCCN1C(=O)C[*:1] N#CCSc1ccccc1NC(=O)C[NH+]1CCN(CC1)[*:1]
C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 C[C@H]1CCCCN1C(=O)[*:1] N#CCSc1ccccc1NC(=O)C[NH+]1CCN(CC1)C[*:1]
C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 N#CCSc1ccccc1[*:1] C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC1)CC(=O)N[*:1]
C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 N#CCS[*:1] C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC1)CC(=O)Nc1ccccc1[*:1]
C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 N#CC[*:1] C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC1)CC(=O)Nc1ccccc1S[*:1]
CCOC(=O)CC[C@H](C)NC(=O)N1C[C@@H](C)c2ccccc21 CCOC(=O)CC[*:1] C[C@@H]1CN(C(=O)N[C@@H](C)[*:1])c2ccccc21
CCOC(=O)CC[C@H](C)NC(=O)N1C[C@@H](C)c2ccccc21 CCOC(=O)[*:1] C[C@@H](CC[*:1])NC(=O)N1C[C@@H](C)c2ccccc21
CCOC(=O)CC[C@H](C)NC(=O)N1C[C@@H](C)c2ccccc21 CCOC(=O)C[*:1] C[C@@H](C[*:1])NC(=O)N1C[C@@H](C)c2ccccc21
O=C(Cc1csc(SCc2ccccc2F)n1)N1CCCCC1 Fc1ccccc1[*:1] O=C(Cc1csc(n1)SC[*:1])N1CCCCC1
COc1ccc(F)cc1CSCc1nc(CC(C)C)no1 CC(C)[*:1] COc1ccc(F)cc1CSCc1nc(C[*:1])no1
COc1ccc(F)cc1CSCc1nc(CC(C)C)no1 CC(C)C[*:1] COc1ccc(F)cc1CSCc1nc(no1)[*:1]
COc1ccc(Cl)c(NC(=O)N(Cc2ccc(O)c(OC)c2)C2CC2)c1 C1CC1[*:1] COc1ccc(Cl)c(c1)NC(=O)N(Cc1ccc(O)c(c1)OC)[*:1]
Cc1ccc(O[C@H](C)C[NH2+][C@H](C)c2cnc(C)s2)cc1 Cc1ncc(s1)[*:1] Cc1ccc(cc1)O[C@H](C)C[NH2+][C@H](C)[*:1]
C[C@H](C(=O)Nc1ccccc1F)[NH+]1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1ccccc1F)[NH+]1CCN(CC1)[*:1]
C[C@H](C(=O)Nc1ccccc1F)[NH+]1CCN(c2ccc(F)cc2)CC1 Fc1ccccc1[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)c1ccc(F)cc1
CC1(C)CCSC[C@@H]1Nc1ccc2oc(C3CC3)nc2c1 C1CC1[*:1] CC1(C)CCSC[C@@H]1Nc1ccc2oc(nc2c1)[*:1]
C[C@@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)[*:1]
C[C@@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1ncnc2c1cnn2[*:1])c1ccc2OCOc2c1
Cc1cccc(NC(=O)c2cn(-c3ccc(F)cc3)nn2)c1Cl Fc1ccc(cc1)[*:1] Cc1cccc(NC(=O)c2cn(nn2)[*:1])c1Cl
CCN(CC)C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2C)CC1 Cc1ccccc1[*:1] CCN(CC)C(=O)c1ccccc1N1CCC(CC1)NC(=O)[*:1]
CCN(CC)C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2C)CC1 CCN(CC)C(=O)[*:1] Cc1ccccc1C(=O)NC1CCN(CC1)c1ccccc1[*:1]
CN(C)C(=O)[C@@]1(C)CN(C(=O)c2cnn(C)c2)CCO1 Cn1cc(cn1)[*:1] CN(C)C(=O)[C@@]1(C)CN(CCO1)C(=O)[*:1]
CN(C)C(=O)[C@@]1(C)CN(C(=O)c2cnn(C)c2)CCO1 CN(C)C(=O)[*:1] Cn1cc(cn1)C(=O)N1CCO[C@@](C)(C1)[*:1]
C[C@H]1CC[C@@H](C)N(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 Cn1cc(cn1)[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1[*:1]
COc1ccccc1/C=C/C=N/NC(=O)C1=NN=C(C2=C(C)NN(c3ccccc3)[C@H]2C)C1 COc1ccccc1[*:1] CC1NN(c2ccccc2)[C@@H](C)C=1C1CC(=NN=1)C(=O)N/N=C/C=C[*:1]
COc1ccccc1/C=C/C=N/NC(=O)C1=NN=C(C2=C(C)NN(c3ccccc3)[C@H]2C)C1 c1ccc(cc1)[*:1] COc1ccccc1/C=C/C=N/NC(=O)C1CC(=NN=1)C1=C(C)NN([C@H]1C)[*:1]
COc1ccccc1/C=C/C=N/NC(=O)C1=NN=C(C2=C(C)NN(c3ccccc3)[C@H]2C)C1 COc1ccccc1C=C[*:1] CC1NN(c2ccccc2)[C@@H](C)C=1C1CC(=NN=1)C(=O)NN=C[*:1]
CC(=O)Nc1ccc(C/C([O-])=N/S(=O)(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] CC(=O)Nc1ccc(cc1)C/C([O-])=N/S(=O)(=O)[*:1]
CC(=O)Nc1ccc(C/C([O-])=N/S(=O)(=O)C2CCCC2)cc1 CC(=O)N[*:1] O=S(=O)(/N=C(\[O-])Cc1ccc(cc1)[*:1])C1CCCC1
Cc1cc(NC(=O)C2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)no1 c1ccc(cc1)C[*:1] Cc1cc(no1)NC(=O)C1CC[NH+](CC1)Cc1nc(no1)[*:1]
Cc1cc(NC(=O)C2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)no1 Cc1cc(no1)NC(=O)[*:1] c1ccc(cc1)Cc1noc(C[NH+]2CCC(CC2)[*:1])n1
Cc1cc(NC(=O)C2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1nc(Cc2ccccc2)no1
Cc1cc(NC(=O)C2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C1CC[NH+](CC1)Cc1nc(C[*:1])no1
CCn1ncc(C(=O)NCC(C)(C)NS(C)(=O)=O)c1C(F)(F)F CS(=O)(=O)N[*:1] CCn1ncc(C(=O)NCC(C)(C)[*:1])c1C(F)(F)F
CCn1ncc(C(=O)NCC(C)(C)NS(C)(=O)=O)c1C(F)(F)F FC(F)(F)[*:1] CCn1ncc(C(=O)NCC(C)(C)NS(C)(=O)=O)c1[*:1]
CCCc1n[nH]c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2 CCC[*:1] COc1ccc(cc1OC)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(c21)[*:1]
COc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)c1ccccc1)C(=O)N[*:1]
COc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)c1ccc(C)c(c1)NC(=O)[*:1]
COc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1 O=C(N[*:1])c1ccccc1 COc1cccc(c1)NC(=O)c1ccc(C)c(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 CN(C)S(=O)(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(ccc1N1CCCC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 C1CCN(C1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(ccc1[*:1])S(=O)(=O)N(C)C
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)[*:1]
Cc1ccc(NC(=O)[C@]2(C)c3cccc[n+]3CC(=O)N2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@]1(C)c2cccc[n+]2CC(=O)N1[*:1]
Cc1ccc(NC(=O)[C@]2(C)c3cccc[n+]3CC(=O)N2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)C[n+]2ccccc2[C@@]1(C)C(=O)N[*:1]
Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4cc(C)on4)c3c2c1 Cc1cc(no1)[*:1] Cc1ccc2oc(=O)c3cnn(CC(=O)N[*:1])c3c2c1
Cc1nn(CCC(=O)Nc2cccc(-c3ccno3)c2)c(C)c1S(=O)(=O)N1CCOCC1 c1cc(on1)[*:1] Cc1nn(CCC(=O)Nc2cccc(c2)[*:1])c(C)c1S(=O)(=O)N1CCOCC1
Cc1nn(CCC(=O)Nc2cccc(-c3ccno3)c2)c(C)c1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1nn(CCC(=O)Nc2cccc(c2)-c2ccno2)c(C)c1[*:1]
Cc1ccc(/C=C/C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c(C)c1 O=C([O-])[*:1] Cc1ccc(/C=C/C(=O)N2C[C@@H](O)C[C@@H]2[*:1])c(C)c1
COc1ccc(C)cc1NC(=O)Nc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] COc1ccc(C)cc1NC(=O)Nc1cnn(c1)[*:1]
CCc1nn(C)cc1CNC(=O)c1ccn(-c2c(F)cccc2F)n1 CCc1nn(C)cc1[*:1] O=C(NC[*:1])c1ccn(n1)-c1c(F)cccc1F
CCc1nn(C)cc1CNC(=O)c1ccn(-c2c(F)cccc2F)n1 Fc1cccc(F)c1[*:1] CCc1nn(C)cc1CNC(=O)c1ccn(n1)[*:1]
CCN(CC(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(CC(=O)Nc1cccc2ccccc12)S(=O)(=O)[*:1]
CCOCc1ccccc1NCc1cnc(-c2cccnc2)s1 CCO[*:1] c1cncc(c1)-c1ncc(CNc2ccccc2C[*:1])s1
CCOCc1ccccc1NCc1cnc(-c2cccnc2)s1 CCOC[*:1] c1cncc(c1)-c1ncc(CNc2ccccc2[*:1])s1
CCOCc1ccccc1NCc1cnc(-c2cccnc2)s1 c1cncc(c1)[*:1] CCOCc1ccccc1NCc1cnc(s1)[*:1]
C=C[C@]12CC[C@H](C[C@H]1C(=O)OC)[C@@H](OS(C)(=O)=O)C2 CS(=O)(=O)O[*:1] C=C[C@]12CC[C@H](C[C@H]1C(=O)OC)[C@@H](C2)[*:1]
C=C[C@]12CC[C@H](C[C@H]1C(=O)OC)[C@@H](OS(C)(=O)=O)C2 COC(=O)[*:1] C=C[C@]12CC[C@H](C[C@@H]1[*:1])[C@H](C2)OS(C)(=O)=O
CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccn3)nc3cc(F)ccc23)CC1 c1ccc(nc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cc(nc2cc(F)ccc12)[*:1]
O=S(=O)(Oc1ccc(Cl)nc1)c1c[nH]c2nccc(Cl)c12 Clc1ccc(cn1)[*:1] O=S(=O)(O[*:1])c1c[nH]c2nccc(Cl)c12
CC(C)Cc1ccc(C[NH2+]C2(CO)CCCCC2)cc1 CC(C)[*:1] OCC1(CCCCC1)[NH2+]Cc1ccc(cc1)C[*:1]
CC(C)Cc1ccc(C[NH2+]C2(CO)CCCCC2)cc1 CC(C)C[*:1] OCC1(CCCCC1)[NH2+]Cc1ccc(cc1)[*:1]
CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3ncccc3c2)cc1 CCOc1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)[*:1]
CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3ncccc3c2)cc1 CCO[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccc(cc1)[*:1]
CCOC(=O)c1c(C[NH+]2CCCCC2)n(C)c2cc(Br)c([O-])c(C[NH+](C)C)c12 CCOC(=O)[*:1] Cn1c(C[NH+]2CCCCC2)c(c2c(C[NH+](C)C)c([O-])c(Br)cc21)[*:1]
CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 Clc1ccccc1[*:1] CC[C@@H](O[*:1])C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
CC(C)(C)c1n[nH]cc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 CC(C)(C)[*:1] c1[nH]nc(c1CN1CC[C@H](C1)C[NH+]1CCCCC1)[*:1]
C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 Fc1ccc(cc1)[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)c1ccc(o1)[*:1]
Cc1ccc2cccc(C(=O)Nc3cc(C(N)=O)c(F)cc3F)c2n1 NC(=O)[*:1] Cc1ccc2cccc(C(=O)Nc3cc(c(F)cc3F)[*:1])c2n1
CC[C@@H]1CN(C(=O)[C@@H](C)N2CCCCC2=O)C[C@@H]1N1CCOCC1 O=C1CCCCN1[*:1] CC[C@@H]1CN(C[C@@H]1N1CCOCC1)C(=O)[C@@H](C)[*:1]
CC[C@@H]1CN(C(=O)[C@@H](C)N2CCCCC2=O)C[C@@H]1N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@H]1CN(C[C@H]1[*:1])C(=O)[C@@H](C)N1CCCCC1=O
CCNC(=O)c1ccc(C)c(NC(=O)Cc2cccc(OCC#N)c2)c1 CCNC(=O)[*:1] Cc1ccc(cc1NC(=O)Cc1cccc(c1)OCC#N)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)Cc2cccc(OCC#N)c2)c1 N#CCO[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)Cc1cccc(c1)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)Cc2cccc(OCC#N)c2)c1 N#CC[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)Cc1cccc(c1)O[*:1]
CN(C)C(=O)COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 CN(C)C(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@H]1CCCN(C1)C(=O)c1cccc2ccccc12
CN(C)C(=O)COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 c1ccc2c(cccc2c1)[*:1] CN(C)C(=O)COc1ccc(cc1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CN(C)C(=O)COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 CN(C)C(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN(C1)C(=O)c1cccc2ccccc12
CN(C)C(=O)COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 CN(C)C(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])[C@H]1CCCN(C1)C(=O)c1cccc2ccccc12
Cc1noc(CN2CC[NH+](CC3(CO)COC3)CC2)n1 Cc1noc(n1)[*:1] OCC1(COC1)C[NH+]1CCN(CC1)C[*:1]
Cc1noc(CN2CC[NH+](CC3(CO)COC3)CC2)n1 OCC1(COC1)[*:1] Cc1noc(CN2CC[NH+](CC2)C[*:1])n1
Cc1nnc(COc2ccc(N(C)C(=O)C(C)(C)C)cc2)n1C1CC1 CN(C(=O)C(C)(C)C)[*:1] Cc1nnc(COc2ccc(cc2)[*:1])n1C1CC1
Cc1nnc(COc2ccc(N(C)C(=O)C(C)(C)C)cc2)n1C1CC1 CC(C)(C)[*:1] Cc1nnc(COc2ccc(cc2)N(C)C(=O)[*:1])n1C1CC1
Cc1nnc(COc2ccc(N(C)C(=O)C(C)(C)C)cc2)n1C1CC1 C1CC1[*:1] Cc1nnc(COc2ccc(cc2)N(C)C(=O)C(C)(C)C)n1[*:1]
CCN(C(=O)c1cnc2sc(C)cn2c1=O)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)c1cnc2sc(C)cn2c1=O)[*:1]
COc1ccc(C(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)c(OC)c1 Cc1csc2nc(cn12)[*:1] COc1ccc(C(=O)Nc2cccc(c2)[*:1])c(c1)OC
Cc1nnc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1C1CCCCC1 NS(=O)(=O)[*:1] Cc1nnc(SCC(=O)Nc2cccc(c2)[*:1])n1C1CCCCC1
Cc1nnc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1C1CCCCC1 C1CCC(CC1)[*:1] Cc1nnc(SCC(=O)Nc2cccc(c2)S(N)(=O)=O)n1[*:1]
CCC[NH2+]C/C(=C\[C@H](C)CC)CC CC[C@@H](C)[*:1] CCC[NH2+]CC(=C[*:1])CC
CCC[NH2+]C/C(=C\[C@H](C)CC)CC CCC[*:1] CC/C(=C/[C@H](C)CC)C[NH2+][*:1]
CN(CCO)c1ccc(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)cc1 CN(CCO)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)c1[nH+]ccn1CC1CCC1
CN(CCO)c1ccc(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)cc1 OCC[*:1] CN(c1ccc(cc1)C(=O)N1CCC(CC1)c1[nH+]ccn1CC1CCC1)[*:1]
CN(CCO)c1ccc(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)cc1 C1CC(C1)[*:1] CN(CCO)c1ccc(cc1)C(=O)N1CCC(CC1)c1[nH+]ccn1C[*:1]
CN(CCO)c1ccc(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)cc1 C1CC(C1)C[*:1] CN(CCO)c1ccc(cc1)C(=O)N1CCC(CC1)c1[nH+]ccn1[*:1]
CC[C@@H](CCO)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 CC[C@@H](CCO)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N[*:1]
CC[C@@H](CCO)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 OCC[*:1] CC[C@@H](NC(=O)[C@@H]1CCC(=O)N(C1)c1ccc(C)c(C)c1)[*:1]
CC[C@@H](CCO)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 Cc1ccc(cc1C)[*:1] CC[C@@H](CCO)NC(=O)[C@@H]1CCC(=O)N(C1)[*:1]
O=C(c1cc[nH]n1)N1CCCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 FC(F)(F)[*:1] O=C(c1cc[nH]n1)N1CCCC[C@@H]1c1cc2nc(cc(n2n1)[*:1])-c1cccs1
O=C(c1cc[nH]n1)N1CCCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 c1cc(n[nH]1)[*:1] O=C(N1CCCC[C@@H]1c1cc2nc(cc(n2n1)C(F)(F)F)-c1cccs1)[*:1]
O=C(c1cc[nH]n1)N1CCCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 c1csc(c1)[*:1] O=C(c1cc[nH]n1)N1CCCC[C@@H]1c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
Cc1cc2nc(C)c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)c2cc1C Clc1ccc(cc1)C[*:1] Cc1cc2nc(C)c(=O)n(CC(=O)NC[*:1])c2cc1C
Cc1cc2nc(C)c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)c2cc1C Clc1ccc(cc1)[*:1] Cc1cc2nc(C)c(=O)n(CC(=O)NCC[*:1])c2cc1C
Cc1cc2nc(C)c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)c2cc1C Clc1ccc(cc1)CC[*:1] Cc1cc2nc(C)c(=O)n(CC(=O)N[*:1])c2cc1C
CCOc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)ccc1C CCO[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1
CCOc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)ccc1C C1CO[C@H](C1)[*:1] CCOc1cc(ccc1C)NC(=O)C(=O)N[C@H](C)[*:1]
C[C@]([NH3+])(Cc1ccc(I)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@]([NH3+])(Cc1ccc(I)cc1)[*:1]
O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cncc(Br)c1 Clc1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1cncc(Br)c1
O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cncc(Br)c1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cncc(Br)c1
O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C(Nc1ccc(cc1)Oc1ccc(Cl)cc1)[*:1]
COc1ccccc1NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)CCN(C)C2 COc1ccccc1[*:1] C[C@H](OC(=O)c1c2CN(C)CCc2nc2ccccc12)C(=O)N[*:1]
N#Cc1ccc(N(C(=O)c2ccccc2F)C2CC2)cc1 Fc1ccccc1[*:1] N#Cc1ccc(cc1)N(C(=O)[*:1])C1CC1
N#Cc1ccc(N(C(=O)c2ccccc2F)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)c1ccccc1F)[*:1]
O=C([O-])c1ccc2c(c1)-c1nc3ccccc3n1C2=O O=C([O-])[*:1] O=C1c2ccc(cc2-c2nc3ccccc3n21)[*:1]
COC(=O)c1cc(CN2CCN(c3nccc(OC)n3)CC2)c(C)s1 COc1ccnc(n1)[*:1] COC(=O)c1cc(CN2CCN(CC2)[*:1])c(C)s1
COC(=O)c1cc(CN2CCN(c3nccc(OC)n3)CC2)c(C)s1 COC(=O)[*:1] COc1ccnc(n1)N1CCN(CC1)Cc1cc(sc1C)[*:1]
CCN1C[C@@H](COC(=O)c2ccc(OC(C)(C)C)cc2)CC1=O CC(C)(C)O[*:1] CCN1C[C@@H](COC(=O)c2ccc(cc2)[*:1])CC1=O
CCN1C[C@@H](COC(=O)c2ccc(OC(C)(C)C)cc2)CC1=O CC(C)(C)[*:1] CCN1C[C@@H](COC(=O)c2ccc(cc2)O[*:1])CC1=O
COc1cc([C@H]2CCN(Cc3ccoc3)c3ccccc3S2)cc(OC)c1OC c1cc(co1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CCN(C[*:1])c2ccccc2S1
COc1cc([C@H]2CCN(Cc3ccoc3)c3ccccc3S2)cc(OC)c1OC c1cc(co1)C[*:1] COc1cc(cc(OC)c1OC)[C@H]1CCN(c2ccccc2S1)[*:1]
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 CC(C)(C)[*:1] CC(C)[C@H](NC(=O)O[*:1])C(=O)NCc1nc2ccccc2[nH]1
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 CC(C)[*:1] CC(C)(C)OC(=O)N[C@H](C(=O)NCc1nc2ccccc2[nH]1)[*:1]
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 CC(C)(C)OC(=O)N[*:1] CC(C)[C@H](C(=O)NCc1nc2ccccc2[nH]1)[*:1]
COc1ccc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c(Cl)c1OC Cn1cc(cn1)[*:1] COc1ccc(C[NH+]2CCC(CC2)NC(=O)[*:1])c(Cl)c1OC
COc1ccc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c(Cl)c1OC Cn1cc(cn1)C(=O)N[*:1] COc1ccc(C[NH+]2CCC(CC2)[*:1])c(Cl)c1OC
O=C1C[C@H](C(=O)N2CCC[C@@H]2c2nnc3ccccn23)CN1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC[C@@H]1c1nnc2ccccn12
O=C1C[C@H](C(=O)N2CCC[C@@H]2c2nnc3ccccn23)CN1c1cccc(Cl)c1 c1ccn2c(nnc2c1)[*:1] O=C1C[C@@H](CN1c1cccc(Cl)c1)C(=O)N1CCC[C@H]1[*:1]
CC(C)(C)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 CC(C)(C)C(=O)NC[*:1] O=S(=O)(c1ccc(Cl)cc1)[C@@H](c1ccco1)[*:1]
CC(C)(C)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C)C(=O)NC[C@H](c1ccco1)S(=O)(=O)[*:1]
CC(C)(C)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 CC(C)(C)C(=O)N[*:1] O=S(=O)(c1ccc(Cl)cc1)[C@H](C[*:1])c1ccco1
CC(C)(C)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 c1coc(c1)[*:1] CC(C)(C)C(=O)NC[C@H](S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CC(C)(C)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 CC(C)(C)[*:1] O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
NC(=O)NCc1nc(-c2ccc(C(N)=O)cc2)nn1C1Cc2ccccc2C1 NC(=O)[*:1] NC(=O)NCc1nc(nn1C1Cc2ccccc2C1)-c1ccc(cc1)[*:1]
NC(=O)NCc1nc(-c2ccc(C(N)=O)cc2)nn1C1Cc2ccccc2C1 NC(=O)c1ccc(cc1)[*:1] NC(=O)NCc1nc(nn1C1Cc2ccccc2C1)[*:1]
NC(=O)NCc1nc(-c2ccc(C(N)=O)cc2)nn1C1Cc2ccccc2C1 NC(=O)N[*:1] NC(=O)c1ccc(cc1)-c1nc(C[*:1])n(n1)C1Cc2ccccc2C1
NC(=O)NCc1nc(-c2ccc(C(N)=O)cc2)nn1C1Cc2ccccc2C1 c1ccc2CC(Cc2c1)[*:1] NC(=O)NCc1nc(nn1[*:1])-c1ccc(cc1)C(N)=O
NC(=O)NCc1nc(-c2ccc(C(N)=O)cc2)nn1C1Cc2ccccc2C1 NC(=O)NC[*:1] NC(=O)c1ccc(cc1)-c1nc(n(n1)C1Cc2ccccc2C1)[*:1]
CC[C@@H]1CC[C@@H]([NH+]2CCN(c3nccs3)CC2)C1 c1csc(n1)[*:1] CC[C@@H]1CC[C@H](C1)[NH+]1CCN(CC1)[*:1]
COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 COc1ccc(Cl)cc1[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
COCCN(CC(C)C)C(=O)Cc1ccc[nH]1 CC(C)[*:1] COCCN(C[*:1])C(=O)Cc1ccc[nH]1
COCCN(CC(C)C)C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] COCCN(CC(C)C)C(=O)C[*:1]
COCCN(CC(C)C)C(=O)Cc1ccc[nH]1 CC(C)C[*:1] COCCN(C(=O)Cc1ccc[nH]1)[*:1]
COCCN(CC(C)C)C(=O)Cc1ccc[nH]1 COC[*:1] CC(C)CN(C[*:1])C(=O)Cc1ccc[nH]1
COCCN(CC(C)C)C(=O)Cc1ccc[nH]1 COCC[*:1] CC(C)CN(C(=O)Cc1ccc[nH]1)[*:1]
O=[N+]([O-])c1ccc2c(c1)CN(Cc1nnnn1-c1ccccc1)CC2 O=[N+]([O-])[*:1] c1ccc(cc1)-n1nnnc1CN1CCc2ccc(cc2C1)[*:1]
O=[N+]([O-])c1ccc2c(c1)CN(Cc1nnnn1-c1ccccc1)CC2 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc2CCN(Cc2c1)Cc1nnnn1[*:1]
Cc1cc2c(cc1S(=O)(=O)CCC(=O)NCc1ccccc1)OCC(=O)N2 c1ccc(cc1)[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)CCC(=O)NC[*:1]
Cc1cc2c(cc1S(=O)(=O)CCC(=O)NCc1ccccc1)OCC(=O)N2 c1ccc(cc1)C[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)CCC(=O)N[*:1]
CC(C)CC[NH+]1CCC(CNC(=O)Cn2c(=O)n(C)c3ccccc32)CC1 CC(C)[*:1] Cn1c(=O)n(CC(=O)NCC2CC[NH+](CC2)CC[*:1])c2ccccc21
CC(C)CC[NH+]1CCC(CNC(=O)Cn2c(=O)n(C)c3ccccc32)CC1 CC(C)CC[*:1] Cn1c(=O)n(CC(=O)NCC2CC[NH+](CC2)[*:1])c2ccccc21
CC(C)CC[NH+]1CCC(CNC(=O)Cn2c(=O)n(C)c3ccccc32)CC1 CC(C)C[*:1] Cn1c(=O)n(CC(=O)NCC2CC[NH+](CC2)C[*:1])c2ccccc21
CC(C)Oc1ccc(Br)cc1/C=N/n1nnnc1N CC(C)O[*:1] Nc1nnnn1/N=C/c1cc(Br)ccc1[*:1]
CC(C)Oc1ccc(Br)cc1/C=N/n1nnnc1N CC(C)[*:1] Nc1nnnn1/N=C/c1cc(Br)ccc1O[*:1]
CC1CCN(C(=O)Cc2cc([O-])nc(SCc3cccc(Cl)c3)n2)CC1 Clc1cccc(c1)C[*:1] CC1CCN(CC1)C(=O)Cc1cc([O-])nc(n1)S[*:1]
CC1CCN(C(=O)Cc2cc([O-])nc(SCc3cccc(Cl)c3)n2)CC1 Clc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)Cc1cc([O-])nc(n1)SC[*:1]
C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] C[C@@H](NC(=O)Nc1cnn(c1)CC[NH+](C)C)[*:1]
CN(C)C(=O)Nc1cccc(C[NH2+][C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)c1 CN(C)C(=O)N[*:1] CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]Cc1cccc(c1)[*:1]
CCCOc1ncccc1C1OC(C)(C)C(C)(C)O1 CCC[*:1] CC1(C)OC(OC1(C)C)c1cccnc1O[*:1]
CCCOc1ncccc1C1OC(C)(C)C(C)(C)O1 CCCO[*:1] CC1(C)OC(OC1(C)C)c1cccnc1[*:1]
O=S(=O)(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=S(=O)(NCCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
O=S(=O)(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cc(F)cc(F)c1 Clc1ccc(cc1)[*:1] O=S(=O)(NCCc1nc(no1)[*:1])c1cc(F)cc(F)c1
CC[NH2+][C@@H](c1ccccc1Cl)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] CC[NH2+][C@@H](c1ccccc1Cl)[C@H](C)[*:1]
O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1nc(cs1)-c1ccc2CCCc2c1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)CCCNC(=O)c1ccco1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NC(=O)CCCNC(=O)c1ccco1)[*:1]
C[C@@H](NC(=O)CCCNC(=O)c1ccco1)C(=O)[O-] c1coc(c1)[*:1] C[C@@H](NC(=O)CCCNC(=O)[*:1])C(=O)[O-]
CCOC(=O)c1ccc(NC(=O)[C@H]2CS[C@H]3c4ccccc4C(=O)N23)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CS[C@H]2c3ccccc3C(=O)N12
C[C@@H]1O[C@@H](Nc2cccc([N+](=O)[O-])c2)[C@@H](O)[C@H](O)[C@@H]1O O=[N+]([O-])[*:1] C[C@@H]1O[C@@H](Nc2cccc(c2)[*:1])[C@@H](O)[C@H](O)[C@@H]1O
COC(=O)c1cc(CNc2cccc(C[NH+]3CCSCC3)c2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNc1cccc(c1)C[NH+]1CCSCC1
Cc1noc(C)c1COc1ccc(C(=O)NCC(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)NC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)NCC(=O)NC2CC2)cc1 Cc1noc(C)c1[*:1] O=C(CNC(=O)c1ccc(cc1)OC[*:1])NC1CC1
Cc1noc(C)c1COc1ccc(C(=O)NCC(=O)NC2CC2)cc1 Cc1noc(C)c1C[*:1] O=C(CNC(=O)c1ccc(cc1)O[*:1])NC1CC1
Cc1noc(C)c1COc1ccc(C(=O)NCC(=O)NC2CC2)cc1 C1CC1[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)NCC(=O)N[*:1]
Cc1noc(C)c1COc1ccc(C(=O)NCC(=O)NC2CC2)cc1 O=C(C[*:1])NC1CC1 Cc1noc(C)c1COc1ccc(cc1)C(=O)N[*:1]
COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(C)cc3)[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]2C1=O c1ccc(cc1)[*:1] COc1ccccc1N1C(=O)[C@H]2[C@@H]([NH2+][C@](C[*:1])(C(=O)[O-])[C@@H]2C1=O)c1ccc(C)cc1
COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(C)cc3)[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]2C1=O Cc1ccc(cc1)[*:1] COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@](Cc1ccccc1)([NH2+][C@@H]2[*:1])C(=O)[O-]
COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(C)cc3)[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]2C1=O c1ccc(cc1)C[*:1] COc1ccccc1N1C(=O)[C@H]2[C@@H]([NH2+][C@](C(=O)[O-])([C@@H]2C1=O)[*:1])c1ccc(C)cc1
COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(C)cc3)[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]2C1=O COc1ccccc1[*:1] Cc1ccc(cc1)[C@@H]1[NH2+][C@](Cc2ccccc2)(C(=O)[O-])[C@@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
CS(=O)(=O)c1ccc([C@H](O)CSc2ccc(Cl)cc2)cc1 CS(=O)(=O)[*:1] O[C@H](CSc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc([C@H](O)CSc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)[C@H](O)CS[*:1]
CC(C)n1cc(C(=O)NC[C@@H](C)Oc2cccnc2)cn1 c1cncc(c1)O[*:1] CC(C)n1cc(cn1)C(=O)NC[C@@H](C)[*:1]
CC(C)n1cc(C(=O)NC[C@@H](C)Oc2cccnc2)cn1 CC(C)[*:1] C[C@H](CNC(=O)c1cnn(c1)[*:1])Oc1cccnc1
CC(C)n1cc(C(=O)NC[C@@H](C)Oc2cccnc2)cn1 c1cncc(c1)[*:1] CC(C)n1cc(cn1)C(=O)NC[C@@H](C)O[*:1]
Cc1ccc(CNC(=O)CNC(N)=O)c(OCC2CC2)c1 C1CC1CO[*:1] Cc1ccc(CNC(=O)CNC(N)=O)c(c1)[*:1]
Cc1ccc(CNC(=O)CNC(N)=O)c(OCC2CC2)c1 NC(=O)N[*:1] Cc1ccc(CNC(=O)C[*:1])c(c1)OCC1CC1
Cc1ccc(CNC(=O)CNC(N)=O)c(OCC2CC2)c1 NC(=O)NC[*:1] Cc1ccc(CNC(=O)[*:1])c(c1)OCC1CC1
Cc1ccc(CNC(=O)CNC(N)=O)c(OCC2CC2)c1 C1CC1[*:1] Cc1ccc(CNC(=O)CNC(N)=O)c(c1)OC[*:1]
Cc1ccc(CNC(=O)CNC(N)=O)c(OCC2CC2)c1 C1CC1C[*:1] Cc1ccc(CNC(=O)CNC(N)=O)c(c1)O[*:1]
CCOC(=O)c1cccc(OC(=O)C[C@@H]2C=CCC2)c1 CCOC(=O)[*:1] O=C(C[C@@H]1C=CCC1)Oc1cccc(c1)[*:1]
N#Cc1cccc(N2CCC[C@@H](c3[nH]ncc3Cc3ccccc3)C2)n1 c1ccc(cc1)C[*:1] N#Cc1cccc(n1)N1CCC[C@H](C1)c1[nH]ncc1[*:1]
N#Cc1cccc(N2CCC[C@@H](c3[nH]ncc3Cc3ccccc3)C2)n1 N#Cc1cccc(n1)[*:1] c1ccc(cc1)Cc1cn[nH]c1[C@@H]1CCCN(C1)[*:1]
N#Cc1cccc(N2CCC[C@@H](c3[nH]ncc3Cc3ccccc3)C2)n1 c1ccc(cc1)[*:1] N#Cc1cccc(n1)N1CCC[C@H](C1)c1[nH]ncc1C[*:1]
CC(C)n1c([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)nc2ccccc21 CC(C)[*:1] C[C@H]([NH2+][C@H](C)c1nc2ccccc2n1[*:1])C1CCOCC1
CC(C)n1c([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)nc2ccccc21 C1CC(CCO1)[*:1] CC(C)n1c(nc2ccccc21)[C@@H](C)[NH2+][C@@H](C)[*:1]
O=c1[nH]c(C[NH+]2CCN(c3cccc[nH+]3)CC2)nc2scc(-c3ccccc3)c12 c1ccc(cc1)[*:1] O=c1[nH]c(C[NH+]2CCN(CC2)c2cccc[nH+]2)nc2scc(c12)[*:1]
Nc1c(N2CCN(c3cccc(Cl)c3)CC2)ncnc1N1CCN(c2cccc[nH+]2)CC1 Clc1cccc(c1)[*:1] Nc1c(ncnc1N1CCN(CC1)[*:1])N1CCN(CC1)c1cccc[nH+]1
Cc1nc2ncc(C(=O)Nc3ccc4nc(C(C)C)sc4c3)c([O-])n2n1 CC(C)[*:1] Cc1nc2ncc(C(=O)Nc3ccc4nc(sc4c3)[*:1])c([O-])n2n1
COC[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)nc1)C(N)=O COC[*:1] CC1CCN(CC1)c1ccc(cn1)C(=O)N[C@@H](C(N)=O)[*:1]
COC[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)nc1)C(N)=O CC1CCN(CC1)[*:1] COC[C@@H](NC(=O)c1ccc(nc1)[*:1])C(N)=O
COC[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)nc1)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)c1ccc(nc1)N1CCC(C)CC1)[*:1]
CCNC(=O)COc1ccc(C[NH+]2CC(C)(C)C2(C)C)cc1 CCNC(=O)[*:1] CC1(C)C[NH+](Cc2ccc(cc2)OC[*:1])C1(C)C
CCNC(=O)COc1ccc(C[NH+]2CC(C)(C)C2(C)C)cc1 CCNC(=O)C[*:1] CC1(C)C[NH+](Cc2ccc(cc2)O[*:1])C1(C)C
CCNC(=O)COc1ccc(C[NH+]2CC(C)(C)C2(C)C)cc1 CCNC(=O)CO[*:1] CC1(C)C[NH+](Cc2ccc(cc2)[*:1])C1(C)C
COC(=O)Nc1ccc(CNC(=O)NCCc2cn3ccccc3n2)cc1 COC(=O)N[*:1] O=C(NCCc1cn2ccccc2n1)NCc1ccc(cc1)[*:1]
COC(=O)Nc1ccc(CNC(=O)NCCc2cn3ccccc3n2)cc1 c1ccn2cc(nc2c1)[*:1] COC(=O)Nc1ccc(cc1)CNC(=O)NCC[*:1]
CC(C)c1ccc([C@@H](N)C(F)(F)F)c(C(C)C)c1 CC(C)[*:1] CC(C)c1cc(ccc1[C@@H](N)C(F)(F)F)[*:1]
CC(C)c1ccc([C@@H](N)C(F)(F)F)c(C(C)C)c1 N[C@@H](C(F)(F)F)[*:1] CC(C)c1ccc(c(c1)C(C)C)[*:1]
CC(C)c1ccc([C@@H](N)C(F)(F)F)c(C(C)C)c1 CC(C)[*:1] CC(C)c1ccc(c(c1)[*:1])[C@@H](N)C(F)(F)F
CC(C)c1ccc([C@@H](N)C(F)(F)F)c(C(C)C)c1 FC(F)(F)[*:1] CC(C)c1ccc(c(c1)C(C)C)[C@@H](N)[*:1]
Cc1csc([C@@H](C)n2c(CCCl)nc3c(C)nn(C)c32)n1 ClCC[*:1] Cc1csc(n1)[C@@H](C)n1c(nc2c(C)nn(C)c21)[*:1]
Cc1csc([C@@H](C)n2c(CCCl)nc3c(C)nn(C)c32)n1 Cc1csc(n1)[*:1] Cc1nn(C)c2c1nc(CCCl)n2[C@H](C)[*:1]
COC[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccccc1 COC[*:1] O=[N+]([O-])c1c(F)cccc1N[C@H](c1ccccc1)[*:1]
COC[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] COC[C@H](Nc1cccc(F)c1[*:1])c1ccccc1
COC[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] COC[C@H](Nc1cccc(F)c1[N+](=O)[O-])[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)NCCc2ccc(F)cc2C)n1 Cc1cc(C)n(C[*:1])n1 Cc1cc(F)ccc1CCNC(=O)NC[C@@H](C)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)NCCc2ccc(F)cc2C)n1 Cc1cc(F)ccc1[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)NCC[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)NCCc2ccc(F)cc2C)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(F)ccc1CCNC(=O)NC[C@@H](C)C[*:1]
Cc1cc(C)nc(Nc2ccc(C(=O)NCCO)cc2)n1 OCC[*:1] Cc1cc(C)nc(n1)Nc1ccc(cc1)C(=O)N[*:1]
Cc1cc(C)nc(Nc2ccc(C(=O)NCCO)cc2)n1 O=C(NCCO)[*:1] Cc1cc(C)nc(n1)Nc1ccc(cc1)[*:1]
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3nc4c(C)cccn4c3C)[C@@H]2c2ccc(Cl)cc2)s1 Cc1cccn2c(C)c(nc12)[*:1] Cc1nnc(s1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(Cl)cc1
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3nc4c(C)cccn4c3C)[C@@H]2c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2nc3c(C)cccn3c2C)[C@H]1[*:1]
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3nc4c(C)cccn4c3C)[C@@H]2c2ccc(Cl)cc2)s1 Cc1nnc(s1)[*:1] Cc1cccn2c(C)c(nc12)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(Cl)cc1)[*:1]
CCCC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)Oc1cccc(C)c1 CCC[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N1CCNC(=O)[C@@H]1C[*:1]
CCCC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)Oc1cccc(C)c1 CCCC[*:1] Cc1cccc(c1)O[C@H](C)C(=O)N1CCNC(=O)[C@@H]1[*:1]
CCCC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)Oc1cccc(C)c1 Cc1cccc(c1)[*:1] CCCC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)O[*:1]
CC(C)[C@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)CC1 CC(C)[*:1] [NH3+]Cc1ccc(o1)C(=O)N1CCC[C@@H](CC1)[*:1]
CCCc1cc(NC(=O)NCc2ccc3c(c2)OCCO3)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)NCc1ccc2OCCOc2c1)[*:1]
O=C(NC1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(c1c[nH]c2ccccc12)N1CCC(CC1)NC(=O)[*:1]
Cc1ccc(CCNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)C(=O)NCC[*:1]
Cc1ccc(CCNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c(C)c1 Cc1nnnn1[*:1] Cc1ccc(CCNC(=O)C(=O)Nc2ccc(F)c(c2)[*:1])c(C)c1
Cc1ccc(CCNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c(C)c1 Cc1ccc(C[*:1])c(C)c1 Cc1nnnn1-c1cc(ccc1F)NC(=O)C(=O)NC[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)o1 CS(=O)(=O)C[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH2+]Cc1ccc(cc1)[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)o1 CS(=O)(=O)[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH2+]Cc1ccc(cc1)C[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)o1 Cc1ccc(o1)[*:1] CS(=O)(=O)Cc1ccc(cc1)C[NH2+]Cc1c[nH]nc1[*:1]
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nc(C)c(C)s4)[C@@H]3c3ccccc3F)oc12 Fc1ccccc1[*:1] COc1cccc2cc(oc12)C(=O)C1=C([O-])C(=O)N(c2nc(C)c(C)s2)[C@H]1[*:1]
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nc(C)c(C)s4)[C@@H]3c3ccccc3F)oc12 Cc1nc(sc1C)[*:1] COc1cccc2cc(oc12)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccccc1F)[*:1]
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nc(C)c(C)s4)[C@@H]3c3ccccc3F)oc12 COc1cccc2cc(oc12)[*:1] Cc1nc(sc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccccc1F
C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)[*:1]
C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1 FC(F)(F)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1[*:1])c1cccc(Cl)c1
CCCCNC(=O)N[C@H]1CCC[C@@H]1SC CCCC[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N[*:1]
CCCCNC(=O)N[C@H]1CCC[C@@H]1SC CCC[*:1] CS[C@H]1CCC[C@@H]1NC(=O)NC[*:1]
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)CC1 FC(F)[*:1] C=CC[NH+]1CCC(CC1)NC(=O)C(=O)Nc1ccc(cc1)S[*:1]
C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)CC1 FC(F)S[*:1] C=CC[NH+]1CCC(CC1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
Nc1c(Nc2cccc(Br)c2)ncnc1N1CCCCC1 C1CCN(CC1)[*:1] Nc1c(ncnc1[*:1])Nc1cccc(Br)c1
Nc1c(Nc2cccc(Br)c2)ncnc1N1CCCCC1 Brc1cccc(c1)[*:1] Nc1c(ncnc1N1CCCCC1)N[*:1]
Cc1cccc(NC(=O)c2cc3ccccc3o/c2=[NH+]\c2ccc3c(c2)OCCO3)n1 Cc1cccc(n1)NC(=O)[*:1] c1ccc2o/c(=[NH+]\c3ccc4OCCOc4c3)c(cc2c1)[*:1]
Cc1cccc(NC(=O)c2cc3ccccc3o/c2=[NH+]\c2ccc3c(c2)OCCO3)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1cc2ccccc2o/c1=[NH+]\c1ccc2OCCOc2c1
N#CCCN1[C@@H]2c3c[nH]nc3C(=O)[C@H]1C[C@H]2C#N N#CC[*:1] N#C[C@@H]1C[C@@H]2C(=O)c3n[nH]cc3[C@H]1N2C[*:1]
N#CCCN1[C@@H]2c3c[nH]nc3C(=O)[C@H]1C[C@H]2C#N N#CCC[*:1] N#C[C@@H]1C[C@@H]2C(=O)c3n[nH]cc3[C@H]1N2[*:1]
Cc1ccc(CNC(=O)CSC2=NC(=O)[C@@H]3SC(=S)N(c4ccc(Cl)cc4)C3=N2)cc1 Cc1ccc(cc1)[*:1] O=C(CSC1=NC(=O)[C@@H]2SC(=S)N(C2=N1)c1ccc(Cl)cc1)NC[*:1]
Cc1ccc(CNC(=O)CSC2=NC(=O)[C@@H]3SC(=S)N(c4ccc(Cl)cc4)C3=N2)cc1 Cc1ccc(cc1)C[*:1] O=C(CSC1=NC(=O)[C@@H]2SC(=S)N(C2=N1)c1ccc(Cl)cc1)N[*:1]
Cc1ccc(CNC(=O)CSC2=NC(=O)[C@@H]3SC(=S)N(c4ccc(Cl)cc4)C3=N2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)CSC1=NC(=O)[C@@H]2SC(=S)N(C2=N1)[*:1]
O=C(Nc1c[nH]c2ccccc12)N1CCCC[C@@H]1CCO OCC[*:1] O=C(Nc1c[nH]c2ccccc12)N1CCCC[C@H]1[*:1]
C[C@@H](SCC1=NC(=O)C2=C(c3ccccc3)CSC2=N1)C(=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] C[C@@H](SCC1=NC(=O)C2C(=N1)SCC=2[*:1])C(=O)Nc1ccc2OCOc2c1
C[C@@H](SCC1=NC(=O)C2=C(c3ccccc3)CSC2=N1)C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@@H](SCC1=NC(=O)C2C(=N1)SCC=2c1ccccc1)C(=O)N[*:1]
Fc1ccc(CN(Cc2cccnc2)C(=S)Nc2cccc(Cl)c2)cc1 c1cncc(c1)C[*:1] Fc1ccc(cc1)CN(C(=S)Nc1cccc(Cl)c1)[*:1]
Fc1ccc(CN(Cc2cccnc2)C(=S)Nc2cccc(Cl)c2)cc1 Fc1ccc(cc1)[*:1] S=C(Nc1cccc(Cl)c1)N(Cc1cccnc1)C[*:1]
Fc1ccc(CN(Cc2cccnc2)C(=S)Nc2cccc(Cl)c2)cc1 c1cncc(c1)[*:1] Fc1ccc(cc1)CN(C[*:1])C(=S)Nc1cccc(Cl)c1
Fc1ccc(CN(Cc2cccnc2)C(=S)Nc2cccc(Cl)c2)cc1 Fc1ccc(cc1)C[*:1] S=C(Nc1cccc(Cl)c1)N(Cc1cccnc1)[*:1]
Fc1ccc(CN(Cc2cccnc2)C(=S)Nc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] Fc1ccc(cc1)CN(Cc1cccnc1)C(=S)N[*:1]
CC1(C)CN(C(=O)[C@H]2C[C@@H]2c2ccco2)CCS1 c1coc(c1)[*:1] CC1(C)CN(CCS1)C(=O)[C@H]1C[C@H]1[*:1]
CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 c1ccc(cc1)[*:1] CN(Cc1nnc(o1)-c1ccccc1)C(=O)c1cnn2c(ccnc12)[*:1]
CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 c1ccc(cc1)[*:1] CN(Cc1nnc(o1)[*:1])C(=O)c1cnn2c(ccnc12)-c1ccccc1
COC(=O)c1ccc(C(=O)Nc2c3c(nn2-c2nc4ccccc4s2)CCC3)cc1 COC(=O)[*:1] O=C(Nc1c2CCCc2nn1-c1nc2ccccc2s1)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)Nc2c3c(nn2-c2nc4ccccc4s2)CCC3)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(Nc1c2CCCc2nn1-c1nc2ccccc2s1)[*:1]
COC(=O)c1ccc(C(=O)Nc2c3c(nn2-c2nc4ccccc4s2)CCC3)cc1 c1ccc2sc(nc2c1)[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1c2CCCc2nn1[*:1]
COc1ccccc1CN(C)C(=O)COc1ccc(C(N)=O)cc1 COc1ccccc1[*:1] CN(C[*:1])C(=O)COc1ccc(cc1)C(N)=O
COc1ccccc1CN(C)C(=O)COc1ccc(C(N)=O)cc1 NC(=O)[*:1] COc1ccccc1CN(C)C(=O)COc1ccc(cc1)[*:1]
Cc1nc(C(F)(F)F)c(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)s1 CC(C)[*:1] Cc1nc(c(s1)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1])C(F)(F)F
Cc1nc(C(F)(F)F)c(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)s1 FC(F)(F)[*:1] Cc1nc(c(s1)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C)[*:1]
Cc1nc(C(F)(F)F)c(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)s1 Clc1ccc(cc1)[*:1] Cc1nc(c(s1)C(=O)N[C@H](C(C)C)[*:1])C(F)(F)F
CCOC(=O)C1CCN(S(=O)(=O)N(C)OC)CC1 CCOC(=O)[*:1] CON(C)S(=O)(=O)N1CCC(CC1)[*:1]
CC(C)c1ccc2c(c1)[C@H]([NH3+])CCC2 CC(C)[*:1] [NH3+][C@@H]1CCCc2ccc(cc21)[*:1]
Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NC(C)C CC(C)NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])CN1C(=O)[C@H]2CCCC[C@@H]2C1=O
Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)NC(C)C CC(C)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])CN1C(=O)[C@H]2CCCC[C@@H]2C1=O
Cc1cc(C(=O)N(C)CCc2ccccn2)sc1Br c1ccc(nc1)[*:1] Cc1cc(sc1Br)C(=O)N(C)CC[*:1]
CC(=O)Nc1cc(NCc2cccnc2C)ccc1Cl CC(=O)N[*:1] Cc1ncccc1CNc1ccc(Cl)c(c1)[*:1]
CCOc1cc(Cl)c([C@@H](O)[C@@]2(C)CCCO2)cc1OCC CCO[*:1] CCOc1cc(Cl)c(cc1[*:1])[C@@H](O)[C@@]1(C)CCCO1
CCOc1cc(Cl)c([C@@H](O)[C@@]2(C)CCCO2)cc1OCC CCO[*:1] CCOc1cc(c(Cl)cc1[*:1])[C@@H](O)[C@@]1(C)CCCO1
CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N CCN(CC)C(=O)C[*:1] Cc1ccc(cc1)-c1ccc(C#N)c(n1)S[*:1]
CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N CCN(CC)C(=O)[*:1] Cc1ccc(cc1)-c1ccc(C#N)c(n1)SC[*:1]
CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N Cc1ccc(cc1)[*:1] CCN(CC)C(=O)CSc1nc(ccc1C#N)[*:1]
CC[NH2+][C@@H](C=C(C)C)[C@@H]1CCOc2ccccc21 CC(C)=C[*:1] CC[NH2+][C@@H]([C@@H]1CCOc2ccccc21)[*:1]
CO[C@@H](CNC(=O)N[C@H](C)c1cn(C)nc1C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)N[C@H](C)c1cn(C)nc1C)[*:1]
CO[C@@H](CNC(=O)N[C@H](C)c1cn(C)nc1C)c1ccc(F)cc1 Cc1nn(C)cc1[*:1] CO[C@@H](CNC(=O)N[C@H](C)[*:1])c1ccc(F)cc1
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NC[C@@H]1CCC[C@H]1O c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NC[C@@H]1CCC[C@H]1O)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(c2cc(C)nc(C)c2C#N)C1 COC(=O)[*:1] Cc1cc(c(C#N)c(C)n1)N1CCC[C@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(c2cc(C)nc(C)c2C#N)C1 COC(=O)C(C)(C)[*:1] Cc1cc(c(C#N)c(C)n1)N1CCC[C@H](C1)[*:1]
Cc1cc(C[NH2+][C@H](C)[C@H](C)C(=O)[O-])sc1C O=C([O-])[*:1] Cc1cc(C[NH2+][C@H](C)[C@H](C)[*:1])sc1C
CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1[*:1]
CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OCc1ccccc1 CCC[*:1] O=C1c2ccccc2N[C@H](c2ccccc2OCc2ccccc2)N1[*:1]
CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OCc1ccccc1 c1ccc(cc1)C[*:1] CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1O[*:1]
CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OCc1ccccc1 c1ccc(cc1)[*:1] CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OC[*:1]
Cc1nn(C)c(C[C@@]2(CC(C)C)CCC[NH2+]2)c1Br CC(C)C[*:1] Cc1nn(C)c(C[C@]2(CCC[NH2+]2)[*:1])c1Br
Cc1nn(C)c(C[C@@]2(CC(C)C)CCC[NH2+]2)c1Br CC(C)[*:1] Cc1nn(C)c(C[C@]2(CCC[NH2+]2)C[*:1])c1Br
CC(C)Oc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 CC(C)O[*:1] O=S(=O)(N[C@@H]1CCCC[C@@H]1CO)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 CC(C)[*:1] O=S(=O)(N[C@@H]1CCCC[C@@H]1CO)c1ccc(cc1)O[*:1]
CN(CCc1cccs1)C(=O)C[C@@H](NC(N)=O)c1cccs1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)C[C@@H](NC(N)=O)c1cccs1
CN(CCc1cccs1)C(=O)C[C@@H](NC(N)=O)c1cccs1 c1csc(c1)[*:1] CN(CCc1cccs1)C(=O)C[C@@H](NC(N)=O)[*:1]
CN(CCc1cccs1)C(=O)C[C@@H](NC(N)=O)c1cccs1 NC(=O)N[*:1] CN(CCc1cccs1)C(=O)C[C@@H](c1cccs1)[*:1]
CN(CCc1cccs1)C(=O)C[C@@H](NC(N)=O)c1cccs1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)C[C@@H](NC(N)=O)c1cccs1
CN(CCc1cccs1)C(=O)C[C@@H](NC(N)=O)c1cccs1 c1csc(c1)CC[*:1] CN(C(=O)C[C@@H](NC(N)=O)c1cccs1)[*:1]
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 CC[C@@H](C)[*:1] NC(=O)N[C@@H](C(=O)N1CCc2cc(Cl)cc(Cl)c2C1)[*:1]
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 NC(=O)N[*:1] CC[C@@H](C)[C@@H](C(=O)N1CCc2cc(Cl)cc(Cl)c2C1)[*:1]
CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCCSCC1 CC(C)[*:1] O=C(N[C@@H](Cc1ccc(F)cc1)[*:1])N1CCCSCC1
CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCCSCC1 Fc1ccc(cc1)[*:1] CC(C)[C@H](C[*:1])NC(=O)N1CCCSCC1
COc1ccc(C[S@](=O)CCOC(C)C)cc1Br CC(C)OCC[*:1] COc1ccc(cc1Br)C[S@](=O)[*:1]
COc1ccc(C[S@](=O)CCOC(C)C)cc1Br CC(C)OC[*:1] COc1ccc(cc1Br)C[S@](=O)C[*:1]
COc1ccc(C[S@](=O)CCOC(C)C)cc1Br CC(C)O[*:1] COc1ccc(cc1Br)C[S@](=O)CC[*:1]
COc1ccc(C[S@](=O)CCOC(C)C)cc1Br CC(C)[*:1] COc1ccc(cc1Br)C[S@](=O)CCO[*:1]
O=C(/C=C/c1ccco1)NCCCCn1cnnc1 c1coc(c1)[*:1] O=C(C=C[*:1])NCCCCn1cnnc1
O=C(/C=C/c1ccco1)NCCCCn1cnnc1 c1nncn1C[*:1] O=C(/C=C/c1ccco1)NCCC[*:1]
O=C(/C=C/c1ccco1)NCCCCn1cnnc1 c1nncn1[*:1] O=C(/C=C/c1ccco1)NCCCC[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(F)cc1C CCC[*:1] Cc1cc(F)ccc1CCNC(=O)c1ccccc1S(=O)(=O)[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(F)cc1C Cc1cc(F)ccc1[*:1] CCCS(=O)(=O)c1ccccc1C(=O)NCC[*:1]
CCCS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(F)cc1C CCCS(=O)(=O)[*:1] Cc1cc(F)ccc1CCNC(=O)c1ccccc1[*:1]
Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(CNS(C)(=O)=O)o1 CS(=O)(=O)NC[*:1] Cc1cc(O)c(cc1NC(=O)c1ccc(o1)[*:1])C(C)C
Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(CNS(C)(=O)=O)o1 CC(C)[*:1] Cc1cc(O)c(cc1NC(=O)c1ccc(CNS(C)(=O)=O)o1)[*:1]
Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(CNS(C)(=O)=O)o1 CS(=O)(=O)N[*:1] Cc1cc(O)c(cc1NC(=O)c1ccc(C[*:1])o1)C(C)C
CN(C[C@@H]1COc2ccccc2O1)c1nc2nonc2nc1N1CCOCC1 C1CN(CCO1)[*:1] CN(C[C@@H]1COc2ccccc2O1)c1nc2nonc2nc1[*:1]
O=C(Nc1cccc(-n2cnnc2)c1)c1c[nH]c2nccc(Cl)c12 c1nncn1[*:1] O=C(Nc1cccc(c1)[*:1])c1c[nH]c2nccc(Cl)c12
COC(=O)c1ccc(/C=N/N2C(=S)[NH+]=N[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(/C=N/N2C(=S)[NH+]=N[C@@H]2[*:1])cc1
COC(=O)c1ccc(/C=N/N2C(=S)[NH+]=N[C@H]2c2ccccc2)cc1 COC(=O)[*:1] S=C1[NH+]=N[C@@H](c2ccccc2)N1/N=C/c1ccc(cc1)[*:1]
C[C@@H](O[C@H]1CC[C@H]([NH3+])C1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@@H](O[C@H]1CC[C@H]([NH3+])C1)C(=O)N[*:1]
C[C@@H](O[C@H]1CC[C@H]([NH3+])C1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@@H](O[C@H]1CC[C@H]([NH3+])C1)C(=O)NC[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)SCc2cccc(F)c2F)cc1 Fc1cccc(c1F)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](C)SC[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)SCc2cccc(F)c2F)cc1 CC(=O)[*:1] C[C@H](SCc1cccc(F)c1F)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(-c2noc3ncnc(N4CCC[C@H](C(=O)[O-])C4)c23)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1noc2ncnc(c12)N1CCC[C@H](C1)[*:1]
COc1ccc(-c2noc3ncnc(N4CCC[C@H](C(=O)[O-])C4)c23)cc1 COc1ccc(cc1)[*:1] O=C([O-])[C@H]1CCCN(C1)c1ncnc2onc(c12)[*:1]
NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 NC(=O)[*:1] O=C1C[C@H](CN1c1ccc(cc1)OCc1ccccc1)[*:1]
NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 c1ccc(cc1)C[*:1] NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)O[*:1]
NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)OC[*:1]
CC(C)(C)S(=O)(=O)CCNC(=O)CSc1ccccc1 CC(C)(C)[*:1] O=C(CSc1ccccc1)NCCS(=O)(=O)[*:1]
CC(C)(C)S(=O)(=O)CCNC(=O)CSc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)S(=O)(=O)CCNC(=O)CS[*:1]
O=C(NCC#CCOc1ccccc1F)[C@@H]1COc2ccccc2O1 Fc1ccccc1[*:1] O=C(NCC#CCO[*:1])[C@@H]1COc2ccccc2O1
O=C(NCC#CCOc1ccccc1F)[C@@H]1COc2ccccc2O1 Fc1ccccc1O[*:1] O=C(NCC#CC[*:1])[C@@H]1COc2ccccc2O1
Nc1nc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cs1 Nc1nc(cs1)C[*:1] O=C(N/N=C/c1cccc(c1)[N+](=O)[O-])[*:1]
Nc1nc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cs1 O=[N+]([O-])[*:1] Nc1nc(cs1)CC(=O)N/N=C/c1cccc(c1)[*:1]
Nc1nc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cs1 Nc1nc(cs1)[*:1] O=C(C[*:1])N/N=C/c1cccc(c1)[N+](=O)[O-]
O=C(CSCc1ccncc1)N[C@@H](c1ccccc1)c1ccco1 c1cc(ccn1)C[*:1] O=C(CS[*:1])N[C@@H](c1ccccc1)c1ccco1
O=C(CSCc1ccncc1)N[C@@H](c1ccccc1)c1ccco1 c1cc(ccn1)[*:1] O=C(CSC[*:1])N[C@@H](c1ccccc1)c1ccco1
O=C(CSCc1ccncc1)N[C@@H](c1ccccc1)c1ccco1 c1cc(ccn1)CS[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)c1ccco1
O=C(CSCc1ccncc1)N[C@@H](c1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(CSCc1ccncc1)N[C@@H](c1ccccc1)[*:1]
O=C(CSCc1ccncc1)N[C@@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(CSCc1ccncc1)N[C@@H](c1ccco1)[*:1]
CC[C@@H]1CCCCN1c1ccc(S(C)(=O)=O)cc1N CS(=O)(=O)[*:1] CC[C@@H]1CCCCN1c1ccc(cc1N)[*:1]
COC(=O)C1CCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 COC(=O)C1CCN(CC1)C(=O)[*:1] O=C1C[C@](C[*:1])(C(=O)N1Cc1ccc2OCOc2c1)c1ccccc1
COC(=O)C1CCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 c1cc2OCOc2cc1[*:1] COC(=O)C1CCN(CC1)C(=O)C[C@]1(CC(=O)N(C[*:1])C1=O)c1ccccc1
COC(=O)C1CCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 COC(=O)[*:1] O=C(C[C@]1(CC(=O)N(Cc2ccc3OCOc3c2)C1=O)c1ccccc1)N1CCC(CC1)[*:1]
COC(=O)C1CCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 c1cc2OCOc2cc1C[*:1] COC(=O)C1CCN(CC1)C(=O)C[C@]1(CC(=O)N(C1=O)[*:1])c1ccccc1
COC(=O)C1CCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 c1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)C[C@]1(CC(=O)N(Cc2ccc3OCOc3c2)C1=O)[*:1]
CCN(CC)C(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1 O=C([O-])[*:1] CCN(CC)C(=O)N1CCC[C@@H](C1)C(=O)N[C@H](C(C)(C)C)[*:1]
CCN(CC)C(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1 CC(C)(C)[*:1] CCN(CC)C(=O)N1CCC[C@@H](C1)C(=O)N[C@H](C(=O)[O-])[*:1]
COc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)cc2C)cc1 Cc1cc(F)ccc1[*:1] COc1ccccc1OCc1ccc(cc1)C(=O)N[*:1]
COc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)cc2C)cc1 COc1ccccc1[*:1] Cc1cc(F)ccc1NC(=O)c1ccc(cc1)CO[*:1]
COc1ccccc1OCc1ccc(C(=O)Nc2ccc(F)cc2C)cc1 COc1ccccc1O[*:1] Cc1cc(F)ccc1NC(=O)c1ccc(cc1)C[*:1]
CC(C)c1csc(CNC(=O)NCC2(c3ccc(F)cc3F)CC2)n1 Fc1ccc(c(F)c1)[*:1] CC(C)c1csc(CNC(=O)NCC2(CC2)[*:1])n1
CC(C)c1csc(CNC(=O)NCC2(c3ccc(F)cc3F)CC2)n1 CC(C)c1csc(n1)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1F)NC[*:1]
CC(C)c1csc(CNC(=O)NCC2(c3ccc(F)cc3F)CC2)n1 CC(C)[*:1] O=C(NCc1nc(cs1)[*:1])NCC1(CC1)c1ccc(F)cc1F
N#CCSc1cccc(/C([O-])=N/c2nc(-c3ccco3)n[nH]2)c1 N#CC[*:1] [O-]/C(=N\c1nc(n[nH]1)-c1ccco1)c1cccc(c1)S[*:1]
N#CCSc1cccc(/C([O-])=N/c2nc(-c3ccco3)n[nH]2)c1 c1coc(c1)[*:1] N#CCSc1cccc(c1)/C([O-])=N/c1nc(n[nH]1)[*:1]
N#CCSc1cccc(/C([O-])=N/c2nc(-c3ccco3)n[nH]2)c1 N#CCS[*:1] [O-]/C(=N\c1nc(n[nH]1)-c1ccco1)c1cccc(c1)[*:1]
C#CCSc1nc2ccccc2n1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] C#CCSc1nc2ccccc2n1C(=O)c1ccc(cc1)[*:1]
C#CCSc1nc2ccccc2n1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 C#CC[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCCC1)n1c(nc2ccccc21)S[*:1]
C#CCSc1nc2ccccc2n1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 C#CCS[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCCC1)n1c(nc2ccccc21)[*:1]
CSCC(=O)N[C@@H](C)c1ccc(Br)cc1 CSC[*:1] C[C@H](NC(=O)[*:1])c1ccc(Br)cc1
CC[NH2+]C[C@H](C)Cc1c(C)nn(-c2ccc(Br)cc2)c1C Brc1ccc(cc1)[*:1] CC[NH2+]C[C@H](C)Cc1c(C)nn(c1C)[*:1]
Cc1[nH]ncc1CCCNC(=O)c1c(O)cc(F)cc1F Cc1[nH]ncc1[*:1] O=C(NCCC[*:1])c1c(O)cc(F)cc1F
Cc1[nH]ncc1CCCNC(=O)c1c(O)cc(F)cc1F Cc1[nH]ncc1C[*:1] O=C(NCC[*:1])c1c(O)cc(F)cc1F
CCOC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CCCCC2 CCOC(=O)[*:1] Cc1noc(C)c1C(=O)Nc1sc2CCCCCc2c1[*:1]
CCOC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CCCCC2 Cc1noc(C)c1[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2CCCCCc21
COc1ccc(-c2ncc(C(=O)NCCCc3ccc(O)cc3)s2)cc1 Oc1ccc(cc1)[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)NCCC[*:1]
COc1ccc(-c2ncc(C(=O)NCCCc3ccc(O)cc3)s2)cc1 COc1ccc(cc1)[*:1] O=C(NCCCc1ccc(O)cc1)c1cnc(s1)[*:1]
COc1ccc(-c2ncc(C(=O)NCCCc3ccc(O)cc3)s2)cc1 Oc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)NCC[*:1]
CC[C@@H](NC(=O)/C=C/c1nccn1CC)c1ccc(C)c(F)c1 CCn1ccnc1[*:1] CC[C@@H](NC(=O)C=C[*:1])c1ccc(C)c(F)c1
Cc1ccc(O)c(NC(=O)[C@H](C[NH3+])CC(C)C)c1 CC(C)[*:1] Cc1ccc(O)c(c1)NC(=O)[C@H](C[NH3+])C[*:1]
Cc1ccc(O)c(NC(=O)[C@H](C[NH3+])CC(C)C)c1 CC(C)C[*:1] Cc1ccc(O)c(c1)NC(=O)[C@H](C[NH3+])[*:1]
COc1cc(C(=O)NCC(=O)Nc2cc(C)ccn2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)NCC(=O)Nc1cc(C)ccn1
COc1cc(C(=O)NCC(=O)Nc2cc(C)ccn2)ccc1OC(F)F Cc1ccnc(c1)[*:1] COc1cc(ccc1OC(F)F)C(=O)NCC(=O)N[*:1]
COc1cc(C(=O)NCC(=O)Nc2cc(C)ccn2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)NCC(=O)Nc1cc(C)ccn1
Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nn(-c4ccccc4)c([O-])c32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1C2C(=O)CCCC=2Nc2nn(c([O-])c21)[*:1]
Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nn(-c4ccccc4)c([O-])c32)cc1 Cc1ccc(cc1)[*:1] O=C1CCCC2Nc3nn(-c4ccccc4)c([O-])c3[C@@H](C=21)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1 CC(=O)[*:1] CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1 CC(C)C[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1 CC(C)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H](C[*:1])NC(=O)c1ccc(Cl)cc1
CC(=O)c1cccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1 CC(=O)c1cccc(c1)[*:1] CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
CC(=O)c1cccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H](CC(C)C)NC(=O)[*:1]
CCOc1ccccc1CCNC(=O)c1ccc(-c2ccccc2)[nH]c1=O CCO[*:1] O=C(NCCc1ccccc1[*:1])c1ccc([nH]c1=O)-c1ccccc1
CCOc1ccccc1CCNC(=O)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] CCOc1ccccc1CCNC(=O)c1ccc([nH]c1=O)[*:1]
CCOc1ccccc1CCNC(=O)c1ccc(-c2ccccc2)[nH]c1=O CCOc1ccccc1[*:1] O=C(NCC[*:1])c1ccc([nH]c1=O)-c1ccccc1
Cc1csc(C2(NC(=O)CCCc3nnc(-c4ccccc4)o3)CCCC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)C1(CCCC1)NC(=O)CCCc1nnc(o1)[*:1]
Cc1csc(C2(NC(=O)CCCc3nnc(-c4ccccc4)o3)CCCC2)n1 Cc1csc(n1)[*:1] O=C(CCCc1nnc(o1)-c1ccccc1)NC1(CCCC1)[*:1]
Cc1cc(F)ccc1CCNC(=O)NCC(=O)NC1CC1 O=C(NC1CC1)[*:1] Cc1cc(F)ccc1CCNC(=O)NC[*:1]
Cc1cc(F)ccc1CCNC(=O)NCC(=O)NC1CC1 O=C(C[*:1])NC1CC1 Cc1cc(F)ccc1CCNC(=O)N[*:1]
Cc1cc(F)ccc1CCNC(=O)NCC(=O)NC1CC1 C1CC1[*:1] Cc1cc(F)ccc1CCNC(=O)NCC(=O)N[*:1]
C[C@H](C(=O)N(C)c1ccccc1S(C)(=O)=O)c1ccsc1 CS(=O)(=O)[*:1] C[C@H](C(=O)N(C)c1ccccc1[*:1])c1ccsc1
C[C@H](C(=O)N(C)c1ccccc1S(C)(=O)=O)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)N(C)c1ccccc1S(C)(=O)=O)[*:1]
O=S(=O)(c1cccc(-c2csc(N/N=C/c3ccccc3Cl)n2)c1)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] Clc1ccccc1/C=N/Nc1nc(cs1)-c1cccc(c1)[*:1]
O=S(=O)(c1cccc(-c2csc(N/N=C/c3ccccc3Cl)n2)c1)N1CCCC1 Clc1ccccc1[*:1] O=S(=O)(c1cccc(c1)-c1csc(n1)NN=C[*:1])N1CCCC1
COC[C@@H](C)CC(=O)Nc1cccc(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] COC[C@@H](C)CC(=O)Nc1cccc(c1)[*:1]
COC[C@@H](C)CC(=O)Nc1cccc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] COC[C@@H](C)CC(=O)Nc1cccc(C=C[*:1])c1
COC[C@@H](C)CC(=O)Nc1cccc(/C=C/C(=O)[O-])c1 COC[C@@H](C)[*:1] O=C([O-])/C=C/c1cccc(c1)NC(=O)C[*:1]
COC[C@@H](C)CC(=O)Nc1cccc(/C=C/C(=O)[O-])c1 COC[C@@H](C)C[*:1] O=C([O-])/C=C/c1cccc(c1)NC(=O)[*:1]
COC[C@@H](C)CC(=O)Nc1cccc(/C=C/C(=O)[O-])c1 COC[*:1] C[C@@H](CC(=O)Nc1cccc(/C=C/C(=O)[O-])c1)[*:1]
C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=NNC(=O)CSc1ccc(Cl)cc1)[*:1]
C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccc(Br)cc1 Clc1ccc(cc1)[*:1] C/C(=N\NC(=O)CS[*:1])c1ccc(Br)cc1
CSc1nc([O-])nc(C)c1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] CSc1nc([O-])nc(C)c1C(=O)N1C[C@@H](O)C[C@H]1[*:1]
CC(C)[C@H]1CC[C@@H](C)CC1=C(F)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H]1CC[C@@H](C)CC1=C(F)[*:1]
CC(C)[C@H]1CC[C@@H](C)CC1=C(F)C(=O)[O-] CC(C)[*:1] C[C@@H]1CC[C@@H](C(C1)=C(F)C(=O)[O-])[*:1]
COc1cccc(CN2C(=O)N(c3cccc(SC)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 COc1cccc(c1)[*:1] CSc1cccc(c1)N1C(=O)N(C[*:1])[C@H]2CS(=O)(=O)C[C@@H]21
COc1cccc(CN2C(=O)N(c3cccc(SC)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 CSc1cccc(c1)[*:1] COc1cccc(c1)CN1C(=O)N([C@H]2CS(=O)(=O)C[C@@H]21)[*:1]
COc1cccc(CN2C(=O)N(c3cccc(SC)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 COc1cccc(c1)C[*:1] CSc1cccc(c1)N1C(=O)N([C@H]2CS(=O)(=O)C[C@@H]21)[*:1]
COc1ccc(CCNC(=O)[C@@H]2CCCN(C3=NC=NC4=NC=N[C@@H]43)C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)C1=NC=NC2=NC=N[C@@H]21
COc1ccc(OCC(=O)Nc2ccnc3ccc(F)cc23)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccnc2ccc(F)cc12
CCC[NH2+]Cc1ccccc1N(C)[C@@H](C)CC CC[C@H](C)[*:1] CCC[NH2+]Cc1ccccc1N(C)[*:1]
CCC[NH2+]Cc1ccccc1N(C)[C@@H](C)CC CCC[*:1] CC[C@H](C)N(C)c1ccccc1C[NH2+][*:1]
C/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1C C/C=C/C=C[*:1] Cc1ccc(NS(=O)(=O)c2ccc(C)c(c2)NC(=O)[*:1])c(C)c1
C/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1C CC=C[*:1] Cc1ccc(NS(=O)(=O)c2ccc(C)c(c2)NC(=O)C=C[*:1])c(C)c1
C/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1C Cc1ccc(c(C)c1)[*:1] C/C=C/C=C/C(=O)Nc1cc(ccc1C)S(=O)(=O)N[*:1]
C/C=C/C=C/C(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1C C/C=C/C=C/C(=O)N[*:1] Cc1ccc(NS(=O)(=O)c2ccc(C)c(c2)[*:1])c(C)c1
Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1oc(-c3ccc(F)cc3)cn12 c1ccc(cc1)CC[*:1] Cn1c(=O)n(c(=O)c2c1nc1oc(cn12)-c1ccc(F)cc1)[*:1]
Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1oc(-c3ccc(F)cc3)cn12 Fc1ccc(cc1)[*:1] Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1oc(cn12)[*:1]
Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1oc(-c3ccc(F)cc3)cn12 c1ccc(cc1)C[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc1oc(cn12)-c1ccc(F)cc1
Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1oc(-c3ccc(F)cc3)cn12 c1ccc(cc1)[*:1] Cn1c(=O)n(CC[*:1])c(=O)c2c1nc1oc(cn12)-c1ccc(F)cc1
CC(=O)N[C@@H](C(=O)O[C@H](C)c1ccc(C)cc1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)O[C@H](C)c1ccc(C)cc1)[*:1]
CC(=O)N[C@@H](C(=O)O[C@H](C)c1ccc(C)cc1)C1CCCC1 Cc1ccc(cc1)[*:1] CC(=O)N[C@@H](C(=O)O[C@H](C)[*:1])C1CCCC1
CC(=O)N[C@@H](C(=O)O[C@H](C)c1ccc(C)cc1)C1CCCC1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](C)OC(=O)[C@@H](C1CCCC1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(CCO[C@H]3CCCC[C@@H]3C)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1OCCN1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(CCO[C@H]3CCCC[C@@H]3C)CC2)cc1 CC(=O)[*:1] C[C@H]1CCCC[C@@H]1OCCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(-n2nc(C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1
COc1ccc(CNC(=O)CN2CC(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1)CNC(=O)CN1CC(C)(C)c2cc(ccc21)[*:1]
COc1ccc(CNC(=O)CN2CC(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 COc1ccc(cc1)C[*:1] CC1(C)CN(CC(=O)N[*:1])c2ccc(cc21)S(=O)(=O)N1CCCC1
COc1ccc(CNC(=O)CN2CC(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 COc1ccc(cc1)[*:1] CC1(C)CN(CC(=O)NC[*:1])c2ccc(cc21)S(=O)(=O)N1CCCC1
COc1ccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1 c1csc(c1)[*:1] COc1ccc(/C=c2\sc3nc(nn3c2=O)[*:1])cc1
CN1CCc2nc3sc4c5c(c(=O)[nH]c4c3cc2C1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O5 Fc1ccc(cc1)[*:1] CN1CCc2nc3sc4c5OC(N)=C(C#N)[C@H](c5c(=O)[nH]c4c3cc2C1)[*:1]
CN1CCC[C@@]2(CCN(C(=O)CN3CCNC(=O)C3)C2)C1=O O=C1CN(CCN1)[*:1] CN1CCC[C@@]2(CCN(C2)C(=O)C[*:1])C1=O
COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc1 COc1ccc(cc1)[*:1] O=C(COC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(F)cc1)N[*:1]
COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc1 COc1ccc(cc1)NC(=O)[*:1] O=C(OC[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccc(F)cc1
O=C(CNC(=O)Cc1ccccc1)NCc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] O=C(CNC(=O)Cc1ccccc1)NCc1ccc(nc1)[*:1]
O=C(CNC(=O)Cc1ccccc1)NCc1ccc(-n2ccnc2)nc1 c1ccc(cc1)[*:1] O=C(CNC(=O)C[*:1])NCc1ccc(nc1)-n1ccnc1
O=C(CNC(=O)Cc1ccccc1)NCc1ccc(-n2ccnc2)nc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)[*:1])NCc1ccc(nc1)-n1ccnc1
COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccco3)c3ccccc32)cc1 COc1ccc(cc1)C[*:1] N#C/C(C(=O)NC[*:1])=C1/N=C(NC(=O)c2ccco2)c2ccccc21
COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccco3)c3ccccc32)cc1 COc1ccc(cc1)CC[*:1] N#C/C(C(=O)N[*:1])=C1/N=C(NC(=O)c2ccco2)c2ccccc21
COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccco3)c3ccccc32)cc1 c1coc(c1)[*:1] COc1ccc(cc1)CCNC(=O)/C(C#N)=C1\N=C(NC(=O)[*:1])c2ccccc21
COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccco3)c3ccccc32)cc1 COc1ccc(cc1)[*:1] N#C/C(C(=O)NCC[*:1])=C1/N=C(NC(=O)c2ccco2)c2ccccc21
CC(C)(O)CNC(=O)CCNS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(O)CNC(=O)CCNS(=O)(=O)[*:1]
CC(C)(O)CNC(=O)CCNS(=O)(=O)c1ccccc1 CC(C)(O)C[*:1] O=C(CCNS(=O)(=O)c1ccccc1)N[*:1]
CC(C)(O)CNC(=O)CCNS(=O)(=O)c1ccccc1 CC(C)(O)[*:1] O=C(CCNS(=O)(=O)c1ccccc1)NC[*:1]
CN(Cc1cnn(C)c1)C(=O)CSc1nnc(-c2cccs2)n1N c1csc(c1)[*:1] CN(Cc1cnn(C)c1)C(=O)CSc1nnc(n1N)[*:1]
CN(Cc1cnn(C)c1)C(=O)CSc1nnc(-c2cccs2)n1N Cn1cc(cn1)C[*:1] CN(C(=O)CSc1nnc(-c2cccs2)n1N)[*:1]
CN(Cc1cnn(C)c1)C(=O)CSc1nnc(-c2cccs2)n1N Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)CSc1nnc(-c2cccs2)n1N
COc1ccc(-c2nc(C(=O)N[C@H](CO)CC(C)(C)C)c(C)o2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)-c1nc(C(=O)N[C@H](CO)C[*:1])c(C)o1
COc1ccc(-c2nc(C(=O)N[C@H](CO)CC(C)(C)C)c(C)o2)cc1 COc1ccc(cc1)[*:1] Cc1oc(nc1C(=O)N[C@H](CO)CC(C)(C)C)[*:1]
COc1ccc(-c2nc(C(=O)N[C@H](CO)CC(C)(C)C)c(C)o2)cc1 CC(C)(C)C[*:1] COc1ccc(cc1)-c1nc(C(=O)N[C@H](CO)[*:1])c(C)o1
CC(C)(C)OC(=O)[C@@H](c1csc2ccccc12)[C@@H]([NH3+])CC(=O)[O-] CC(C)(C)[*:1] [NH3+][C@@H](CC(=O)[O-])[C@@H](C(=O)O[*:1])c1csc2ccccc12
CC(C)(C)OC(=O)[C@@H](c1csc2ccccc12)[C@@H]([NH3+])CC(=O)[O-] CC(C)(C)OC(=O)[*:1] [NH3+][C@@H](CC(=O)[O-])[C@H](c1csc2ccccc12)[*:1]
CC(C)(C)OC(=O)[C@@H](c1csc2ccccc12)[C@@H]([NH3+])CC(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)[C@@H](c1csc2ccccc12)[C@@H]([NH3+])C[*:1]
CCn1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(C)cc3s2)n1 c1ccc(cc1)C[*:1] CCn1ccc(n1)C(=O)N(c1nc2ccc(C)cc2s1)[*:1]
CCn1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(C)cc3s2)n1 CCn1ccc(n1)[*:1] Cc1ccc2nc(sc2c1)N(Cc1ccccc1)C(=O)[*:1]
CCn1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(C)cc3s2)n1 c1ccc(cc1)[*:1] CCn1ccc(n1)C(=O)N(C[*:1])c1nc2ccc(C)cc2s1
CCC(=O)Nc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 CCC(=O)N[*:1] COc1cc(cc(OC)c1OC)NC(=O)c1ccc(cc1)[*:1]
CCCC[C@](C)(O)C1(C)CC1 CCC[*:1] CC1(CC1)[C@@](C)(O)C[*:1]
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccccc1C(=O)N1CCCC1
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C(=O)N1CCOCC1 O=C(N1CCCC1)[*:1] COc1ccc(cc1C(=O)N1CCOCC1)S(=O)(=O)Nc1ccccc1[*:1]
O=C(CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)N1CCOCC1 Clc1ccc(cc1)[*:1] O=C(CCc1nc(CS(=O)(=O)[*:1])no1)N1CCOCC1
O=C(CCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)(Cc1noc(CC[*:1])n1)c1ccc(Cl)cc1
O=C(CSc1cn[nH]n1)Nc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(CSc1cn[nH]n1)Nc1nnc(s1)[*:1]
O=C(CSc1cn[nH]n1)Nc1nnc(-c2ccccc2)s1 c1n[nH]nc1[*:1] O=C(CS[*:1])Nc1nnc(s1)-c1ccccc1
O=C(CSc1cn[nH]n1)Nc1nnc(-c2ccccc2)s1 c1n[nH]nc1SC[*:1] O=C(Nc1nnc(s1)-c1ccccc1)[*:1]
O=C(CSc1cn[nH]n1)Nc1nnc(-c2ccccc2)s1 c1n[nH]nc1S[*:1] O=C(C[*:1])Nc1nnc(s1)-c1ccccc1
CCO[C@H](C)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 CCO[C@H](C)[*:1] O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)[*:1]
CCO[C@H](C)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 CCO[*:1] C[C@H](C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[*:1]
Cc1cc(C(=O)N2CCC(c3nnc(Cn4cccn4)n3C)CC2)cs1 Cc1cc(cs1)[*:1] Cn1c(Cn2cccn2)nnc1C1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCC(c3nnc(Cn4cccn4)n3C)CC2)cs1 c1cnn(c1)C[*:1] Cc1cc(cs1)C(=O)N1CCC(CC1)c1nnc(n1C)[*:1]
Cc1cc(C(=O)N2CCC(c3nnc(Cn4cccn4)n3C)CC2)cs1 c1cnn(c1)[*:1] Cc1cc(cs1)C(=O)N1CCC(CC1)c1nnc(C[*:1])n1C
Cc1cc(C)c(C(=O)CCCC(=O)Nc2cn[nH]c2)c(C)c1 c1n[nH]cc1[*:1] Cc1cc(C)c(C(=O)CCCC(=O)N[*:1])c(C)c1
CC[C@H](C)n1nccc1NC(=O)c1cc(Br)cn1C(C)C CC[C@H](C)[*:1] CC(C)n1cc(Br)cc1C(=O)Nc1ccnn1[*:1]
CC[C@H](C)n1nccc1NC(=O)c1cc(Br)cn1C(C)C CC(C)[*:1] CC[C@H](C)n1nccc1NC(=O)c1cc(Br)cn1[*:1]
COCCOC(=O)CCc1nc2ccccc2c(=O)[nH]1 COC[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)OC[*:1]
COCCOC(=O)CCc1nc2ccccc2c(=O)[nH]1 COCC[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)O[*:1]
CCc1cccc(C(=O)N[C@H]2CCC[C@@H]2C(N)=O)c1O NC(=O)[*:1] CCc1cccc(C(=O)N[C@H]2CCC[C@H]2[*:1])c1O
Cc1cc(NC(=O)COc2ccccc2)n(-c2nc([O-])c3cnn(-c4ccccc4F)c3n2)n1 c1ccc(cc1)O[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1nc([O-])c2cnn(-c3ccccc3F)c2n1
Cc1cc(NC(=O)COc2ccccc2)n(-c2nc([O-])c3cnn(-c4ccccc4F)c3n2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CO[*:1])n(n1)-c1nc([O-])c2cnn(-c3ccccc3F)c2n1
Cc1cc(NC(=O)COc2ccccc2)n(-c2nc([O-])c3cnn(-c4ccccc4F)c3n2)n1 Fc1ccccc1[*:1] Cc1cc(NC(=O)COc2ccccc2)n(n1)-c1nc([O-])c2cnn(c2n1)[*:1]
Cc1cc(NC(=O)COc2ccccc2)n(-c2nc([O-])c3cnn(-c4ccccc4F)c3n2)n1 c1ccc(cc1)OC[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc([O-])c2cnn(-c3ccccc3F)c2n1
Cc1cc(NC(=O)COc2ccccc2)n(-c2nc([O-])c3cnn(-c4ccccc4F)c3n2)n1 O=C(COc1ccccc1)N[*:1] Cc1cc(n(n1)-c1nc([O-])c2cnn(-c3ccccc3F)c2n1)[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)N[C@@H](CCO)c1cccs1 c1csc(c1)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)N[C@@H](CCO)[*:1]
C[C@H]1CCC[C@H](C)C1NC(=O)N[C@@H](CCO)c1cccs1 OCC[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)N[C@@H](c1cccs1)[*:1]
C[C@H](c1ccccn1)[C@H]([NH3+])c1ccc2c(c1)CCC2 c1ccc(nc1)[*:1] C[C@H]([C@H]([NH3+])c1ccc2CCCc2c1)[*:1]
O=C(Nc1nc(-c2ccc(I)cc2)cs1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(Nc1nc(cs1)-c1ccc(I)cc1)[*:1]
Cc1noc(-c2ccc(C(=O)N3CC[C@](O)(C(F)(F)F)C3)cc2)n1 FC(F)(F)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)N1CC[C@](O)(C1)[*:1]
Cc1noc(-c2ccc(C(=O)N3CC[C@](O)(C(F)(F)F)C3)cc2)n1 Cc1noc(n1)[*:1] O=C(c1ccc(cc1)[*:1])N1CC[C@@](O)(C1)C(F)(F)F
Fc1ccc(OCc2csc(-c3ncccn3)n2)c(F)c1 c1cnc(nc1)[*:1] Fc1ccc(OCc2csc(n2)[*:1])c(F)c1
CSCCN(C)C(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CSCCN(C)C(=O)c1ccc(cc1)[*:1]
CSCCN(C)C(=O)c1ccc(-n2ccnn2)cc1 CSCC[*:1] CN(C(=O)c1ccc(cc1)-n1ccnn1)[*:1]
CSCCN(C)C(=O)c1ccc(-n2ccnn2)cc1 CSC[*:1] CN(C[*:1])C(=O)c1ccc(cc1)-n1ccnn1
Cn1cc(/C([O-])=N/S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(/C([O-])=N/S(=O)(=O)c2ccccc2[N+](=O)[O-])c(n1)[*:1]
Cn1cc(/C([O-])=N/S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(C)(C)C)n1 O=[N+]([O-])[*:1] Cn1cc(/C([O-])=N/S(=O)(=O)c2ccccc2[*:1])c(n1)C(C)(C)C
C[C@H]1CN(Cc2c([O-])[nH+]nn2-c2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(Cc2c([O-])[nH+]nn2[*:1])C[C@@H](C)O1
CC(C)C(=O)NCCNC(=O)c1ccc2c(c1O)OC(C)(C)C2 CC(C)C(=O)NC[*:1] CC1(C)Cc2ccc(C(=O)NC[*:1])c(O)c2O1
CC(C)C(=O)NCCNC(=O)c1ccc2c(c1O)OC(C)(C)C2 CC(C)C(=O)N[*:1] CC1(C)Cc2ccc(C(=O)NCC[*:1])c(O)c2O1
CC(C)C(=O)NCCNC(=O)c1ccc2c(c1O)OC(C)(C)C2 CC(C)[*:1] CC1(C)Cc2ccc(C(=O)NCCNC(=O)[*:1])c(O)c2O1
Cc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCCCC1 O=C(CCl)N[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)[*:1]
Cc1ccn(-c2ccc(N3CC[NH+](CC4CC4)CC3)nn2)n1 Cc1ccn(n1)[*:1] c1cc(nnc1N1CC[NH+](CC1)CC1CC1)[*:1]
Cc1ccn(-c2ccc(N3CC[NH+](CC4CC4)CC3)nn2)n1 C1CC1C[*:1] Cc1ccn(n1)-c1ccc(nn1)N1CC[NH+](CC1)[*:1]
Cc1ccn(-c2ccc(N3CC[NH+](CC4CC4)CC3)nn2)n1 C1CC1[*:1] Cc1ccn(n1)-c1ccc(nn1)N1CC[NH+](CC1)C[*:1]
CC(C)[NH2+]Cc1cnc(-c2ncc(Cl)cc2Cl)nc1 CC(C)[*:1] Clc1cnc(-c2ncc(cn2)C[NH2+][*:1])c(Cl)c1
N#C[C@@H](C(=O)COc1ccc(Br)cc1)c1ccc(F)cn1 Brc1ccc(cc1)[*:1] N#C[C@@H](C(=O)CO[*:1])c1ccc(F)cn1
N#C[C@@H](C(=O)COc1ccc(Br)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@@H](C(=O)COc1ccc(Br)cc1)[*:1]
CC(=O)Nc1ccc(N)cc1Cl CC(=O)N[*:1] Nc1ccc(c(Cl)c1)[*:1]
Cc1cccc(N2C[C@H](C(=O)N(C)Cc3ccc(O)cc3)CC2=O)c1C Oc1ccc(cc1)C[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)N(C)[*:1]
Cc1cccc(N2C[C@H](C(=O)N(C)Cc3ccc(O)cc3)CC2=O)c1C Cc1cccc(c1C)[*:1] CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(N2C[C@H](C(=O)N(C)Cc3ccc(O)cc3)CC2=O)c1C Oc1ccc(cc1)[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)N(C)C[*:1]
Cc1cccc(NC(=O)[C@H](C)N2CCN(c3[nH+]ccn3C)CC2)c1C Cc1cccc(c1C)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)c1[nH+]ccn1C
CC(C)c1cc(C(=O)N2CCCCC[C@H]2c2ccco2)on1 CC(C)[*:1] O=C(c1cc(no1)[*:1])N1CCCCC[C@H]1c1ccco1
CC(C)c1cc(C(=O)N2CCCCC[C@H]2c2ccco2)on1 c1coc(c1)[*:1] CC(C)c1cc(on1)C(=O)N1CCCCC[C@@H]1[*:1]
C[C@H]1c2ccsc2CCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1c2ccsc2CCN1C(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
N#Cc1ccccc1CN(C(=O)CCl)C1CC1 C1CC1[*:1] N#Cc1ccccc1CN(C(=O)CCl)[*:1]
NS(=O)(=O)c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] NS(=O)(=O)c1cccc(c1)NC(=O)CSC[*:1]
NS(=O)(=O)c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 NS(=O)(=O)[*:1] O=C(CSCc1cccc(Cl)c1)Nc1cccc(c1)[*:1]
CN[C@@H]1C(=O)Nc2cc(Oc3ccccc3Cl)c(Cl)cc21 Clc1ccccc1[*:1] CN[C@@H]1C(=O)Nc2cc(O[*:1])c(Cl)cc21
O=C1CN(S(=O)(=O)c2cccc(NC(=O)C3(c4cccc(F)c4)CCC3)c2)CCN1 Fc1cccc(c1)[*:1] O=C1CN(CCN1)S(=O)(=O)c1cccc(c1)NC(=O)C1(CCC1)[*:1]
O=C1CN(S(=O)(=O)c2cccc(NC(=O)C3(c4cccc(F)c4)CCC3)c2)CCN1 O=C1CN(CCN1)S(=O)(=O)[*:1] O=C(Nc1cccc(c1)[*:1])C1(CCC1)c1cccc(F)c1
C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 c1ccc2[nH]c(cc2c1)[*:1] C[C@H](N(C)C(=O)c1ccc(cc1)C[NH+]1CCCCC1)[*:1]
CC(C)(C)[C@H](C[NH3+])N1CCO[C@H](C#N)C1 CC(C)(C)[*:1] N#C[C@@H]1CN(CCO1)[C@@H](C[NH3+])[*:1]
COC(=O)c1ccsc1NC(=O)[C@@H]1Cc2ccccc2O1 COC(=O)[*:1] O=C(Nc1sccc1[*:1])[C@@H]1Cc2ccccc2O1
Cc1cccc(S[C@H](C)CC(=O)NN)c1N NNC(=O)C[*:1] Cc1cccc(S[C@H](C)[*:1])c1N
Cc1cccc(S[C@H](C)CC(=O)NN)c1N NNC(=O)[*:1] Cc1cccc(S[C@H](C)C[*:1])c1N
Cc1cc(Nc2cccc([C@@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)[nH]n1 Cc1cc([nH]n1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@H](C1)c1cccc(n1)N[*:1]
Cc1cc(Nc2cccc([C@@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)[nH]n1 Cc1cc(N[*:1])[nH]n1 Cn1cnc(c1)S(=O)(=O)N1CCC[C@H](C1)c1cccc(n1)[*:1]
Cc1cc(Nc2cccc([C@@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)[nH]n1 Cn1cnc(c1)[*:1] Cc1cc(Nc2cccc(n2)[C@@H]2CCCN(C2)S(=O)(=O)[*:1])[nH]n1
CCc1ccc(CN(C(=O)[C@H](C)OC)C2CC2)cc1 CO[C@@H](C)[*:1] CCc1ccc(cc1)CN(C(=O)[*:1])C1CC1
CCc1ccc(CN(C(=O)[C@H](C)OC)C2CC2)cc1 C1CC1[*:1] CCc1ccc(cc1)CN(C(=O)[C@H](C)OC)[*:1]
C[NH2+][C@H](Cc1ccncc1)c1ccccc1SC c1cc(ccn1)[*:1] C[NH2+][C@H](C[*:1])c1ccccc1SC
CCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F CCCNC(=O)[*:1] Cc1ccc(cc1)[C@H]1C[C@H](n2nc(c(Cl)c2N1)[*:1])C(F)(F)F
CCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F Cc1ccc(cc1)[*:1] CCCNC(=O)c1nn2c(N[C@@H](C[C@H]2C(F)(F)F)[*:1])c1Cl
CCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F FC(F)(F)[*:1] CCCNC(=O)c1nn2c(N[C@H](C[C@@H]2[*:1])c2ccc(C)cc2)c1Cl
CCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F CCC[*:1] Cc1ccc(cc1)[C@H]1C[C@H](n2nc(C(=O)N[*:1])c(Cl)c2N1)C(F)(F)F
COc1cccc(Cl)c1CN1Cc2ccccc2C[C@H]1c1nnc(C)o1 Cc1nnc(o1)[*:1] COc1cccc(Cl)c1CN1Cc2ccccc2C[C@@H]1[*:1]
C[C@@H](c1ccccc1)S(=O)(=O)Cc1cccc(F)c1 c1ccc(cc1)[*:1] C[C@@H](S(=O)(=O)Cc1cccc(F)c1)[*:1]
O=C1C[C@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1cccc(Cl)c1 Oc1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)N1c1cccc(Cl)c1)N1CCN(CC1)[*:1]
O=C1C[C@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1C[C@@H](C(=O)N1[*:1])N1CCN(CC1)c1ccc(O)cc1
COc1ccc(CCC(=O)Nc2cc(Cl)ccc2N(C)C)cc1OC CN(C)[*:1] COc1ccc(cc1OC)CCC(=O)Nc1cc(Cl)ccc1[*:1]
Cc1ccc([N+](=O)[O-])c(N(C)[C@H](C)CS(C)(=O)=O)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N(C)[C@H](C)CS(C)(=O)=O)[*:1]
Cc1ccc([N+](=O)[O-])c(N(C)[C@H](C)CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] Cc1ccc(c(c1)N(C)[C@H](C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N(C)[C@H](C)CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] Cc1ccc(c(c1)N(C)[C@H](C)C[*:1])[N+](=O)[O-]
CCc1ccc([C@@H](C)NC(=O)C[S@@](=O)c2nncn2C(C)C)cc1 CCc1ccc(cc1)[*:1] CC(C)n1cnnc1[S@](=O)CC(=O)N[C@H](C)[*:1]
CCc1ccc([C@@H](C)NC(=O)C[S@@](=O)c2nncn2C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)C[S@@](=O)c1nncn1[*:1]
Cc1cc(C)cc(C(=O)NCC(=O)NC[C@@H](C)c2ccccc2)c1 C[C@@H](c1ccccc1)[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)NC[*:1]
Cc1cc(C)cc(C(=O)NCC(=O)NC[C@@H](C)c2ccccc2)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](CNC(=O)CNC(=O)[*:1])c1ccccc1
Cc1cc(C)cc(C(=O)NCC(=O)NC[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)NC[C@@H](C)[*:1]
C[C@H](CC(N)=O)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] C[C@H](CC(N)=O)[NH2+][C@@H](c1cccc(c1)C(F)(F)F)[*:1]
C[C@H](CC(N)=O)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] C[C@H](CC(N)=O)[NH2+][C@@H](c1cccc(c1)[*:1])C1CC1
C[C@H](CC(N)=O)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 NC(=O)[*:1] C[C@H](C[*:1])[NH2+][C@@H](c1cccc(c1)C(F)(F)F)C1CC1
C[C@H](CC(N)=O)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 NC(=O)C[*:1] C[C@H]([NH2+][C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
C/[NH+]=C(\NCc1nc(C)c(C)o1)NC[C@H](C)c1cccc(C)c1 Cc1nc(oc1C)[*:1] C/[NH+]=C(/NC[C@H](C)c1cccc(C)c1)NC[*:1]
C/[NH+]=C(\NCc1nc(C)c(C)o1)NC[C@H](C)c1cccc(C)c1 Cc1cccc(c1)[*:1] C/[NH+]=C(\NCc1nc(C)c(C)o1)NC[C@H](C)[*:1]
CCCNC(=O)C[C@@H](C[NH3+])N1C[C@H](C)OC[C@@H]1C CCC[*:1] C[C@H]1CN([C@@H](C)CO1)[C@H](C[NH3+])CC(=O)N[*:1]
CCCNC(=O)C[C@@H](C[NH3+])N1C[C@H](C)OC[C@@H]1C CCCNC(=O)[*:1] C[C@H]1CN([C@@H](C)CO1)[C@H](C[NH3+])C[*:1]
Cc1nn(C)c2[nH]nc(NC(=O)[C@H]3C[C@H]3c3ccccc3)c12 c1ccc(cc1)[*:1] Cc1nn(C)c2[nH]nc(NC(=O)[C@H]3C[C@@H]3[*:1])c12
O=C(CCC1CC1)[C@@H]1CN2CCC[C@H]2CO1 C1CC1[*:1] O=C(CC[*:1])[C@@H]1CN2CCC[C@H]2CO1
O=C(CCC1CC1)[C@@H]1CN2CCC[C@H]2CO1 C1CC1C[*:1] O=C(C[*:1])[C@@H]1CN2CCC[C@H]2CO1
O=C(CCC1CC1)[C@@H]1CN2CCC[C@H]2CO1 C1CC1CC[*:1] O=C([C@@H]1CN2CCC[C@H]2CO1)[*:1]
C[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O Clc1cccc(c1)[*:1] Cc1c(nc2ccccc2c1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[*:1]
Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O Cn1c(N)c(c(=O)n(C)c1=O)[*:1] Cc1c(nc2ccccc2c1C(=O)OCC(=O)[*:1])-c1cccc(Cl)c1
COc1ccc(C)cc1CC(=O)CCC(F)(F)F FC(F)(F)CC[*:1] COc1ccc(C)cc1CC(=O)[*:1]
COc1ccc(C)cc1CC(=O)CCC(F)(F)F FC(F)(F)C[*:1] COc1ccc(C)cc1CC(=O)C[*:1]
COc1ccc(C)cc1CC(=O)CCC(F)(F)F FC(F)(F)[*:1] COc1ccc(C)cc1CC(=O)CC[*:1]
Cc1ccc(N2CCN(C(=O)CCn3cnc4c([nH]c5ccc(C)cc54)c3=O)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc2[nH]c3c(=O)n(cnc3c2c1)CCC(=O)N1CCN(CC1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C)cc2)cc1 CC(=O)[*:1] Cc1ccc(cc1)CNC(=O)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C)cc2)cc1 Cc1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(C)CC(=O)N[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(C)CC(=O)NC[*:1]
Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)N1CCN(CC1)c1cccc(c1)[*:1]
Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)n1nc(ccc1=O)[*:1]
Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)N1CCN(CC1)[*:1]
COc1ccc(CC[C@H]([NH3+])CSc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)CC[C@H]([NH3+])CS[*:1]
CC(C)[C@@H](NC(=O)c1ccc(F)cc1O)c1nc(-c2cccnc2)no1 Oc1cc(F)ccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])c1nc(no1)-c1cccnc1
CC(C)[C@@H](NC(=O)c1ccc(F)cc1O)c1nc(-c2cccnc2)no1 c1cncc(c1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(F)cc1O)c1nc(no1)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(F)cc1O)c1nc(-c2cccnc2)no1 CC(C)[*:1] O=C(N[C@@H](c1nc(no1)-c1cccnc1)[*:1])c1ccc(F)cc1O
Cc1ccc(OCC#CCNC(=O)[C@H]2CC(=O)N(C)C2)cn1 Cc1ccc(cn1)[*:1] CN1C[C@H](CC1=O)C(=O)NCC#CCO[*:1]
Cc1ccc(OCC#CCNC(=O)[C@H]2CC(=O)N(C)C2)cn1 CN1C[C@H](CC1=O)[*:1] Cc1ccc(cn1)OCC#CCNC(=O)[*:1]
CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[C@@H]1O CC(C)[*:1] O=C(CCn1cc[nH+]c1[*:1])NC[C@@H]1CCC[C@@H]1O
CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[C@@H]1O O[C@H]1CCC[C@H]1[*:1] CC(C)c1[nH+]ccn1CCC(=O)NC[*:1]
NC(=O)[C@@H]1CCC[C@H]1Nc1cc(-n2cccn2)nc(N)n1 NC(=O)[*:1] Nc1nc(cc(n1)-n1cccn1)N[C@@H]1CCC[C@H]1[*:1]
NC(=O)[C@@H]1CCC[C@H]1Nc1cc(-n2cccn2)nc(N)n1 c1cnn(c1)[*:1] NC(=O)[C@@H]1CCC[C@H]1Nc1cc(nc(N)n1)[*:1]
C[C@@H](CNC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)Cc1cnn(c1)-c1ccccc1)[*:1]
C[C@@H](CNC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(Cc1cnn(c1)-c1ccccc1)NC[*:1]
C[C@@H](CNC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)Cc1cnn(c1)[*:1])c1ccccc1
CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(C)c2)c1C Cc1cccc(c1)[*:1] CCn1nc(C)c(c1C)[C@H](C)[NH2+]C[C@@H](O)[*:1]
COc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
Cc1cc(NC(=O)c2ccccc2Cl)n(-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)n1 O=C(N[*:1])c1ccccc1Cl Cc1cc(n(n1)-c1ncnc2c1cnn2-c1ccc(C)c(C)c1)[*:1]
Cc1cc(NC(=O)c2ccccc2Cl)n(-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)n1 Clc1ccccc1[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ncnc2c1cnn2-c1ccc(C)c(C)c1
Cc1cc(NC(=O)c2ccccc2Cl)n(-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)n1 Cc1ccc(cc1C)[*:1] Cc1cc(NC(=O)c2ccccc2Cl)n(n1)-c1ncnc2c1cnn2[*:1]
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2cccc(C)c2)n1 CCC[*:1] Cc1cccc(c1)OC(=O)c1nc(ncc1Cl)S(=O)(=O)[*:1]
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2cccc(C)c2)n1 CCCS(=O)(=O)[*:1] Cc1cccc(c1)OC(=O)c1nc(ncc1Cl)[*:1]
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2cccc(C)c2)n1 Cc1cccc(c1)[*:1] CCCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)O[*:1]
Cc1ncc([N+](=O)[O-])n1CCSC[C@H](O)CO O=[N+]([O-])[*:1] Cc1ncc(n1CCSC[C@H](O)CO)[*:1]
Cc1ncc([N+](=O)[O-])n1CCSC[C@H](O)CO OC[C@@H](O)[*:1] Cc1ncc(n1CCSC[*:1])[N+](=O)[O-]
Cc1ncc([N+](=O)[O-])n1CCSC[C@H](O)CO OC[C@@H](O)C[*:1] Cc1ncc(n1CCS[*:1])[N+](=O)[O-]
C[NH2+]Cc1ccc(C(=O)OC)cc1 COC(=O)[*:1] C[NH2+]Cc1ccc(cc1)[*:1]
COc1ccccc1[C@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)[NH+]1CCCC1 COc1ccccc1[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1
COc1ccccc1[C@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)[NH+]1CCCC1 Clc1ccc(cc1)[*:1] COc1ccccc1[C@H](CNC(=O)C1CCN(CC1)C(=O)[*:1])[NH+]1CCCC1
Cc1cc(N2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)nc(N)n1 O=C([O-])[*:1] Cc1cc(nc(N)n1)N1CCC(CC1)(Oc1ccc2ccccc2c1)[*:1]
Cc1cc(N2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)nc(N)n1 Cc1cc(nc(N)n1)[*:1] O=C([O-])C1(CCN(CC1)[*:1])Oc1ccc2ccccc2c1
Cc1cc(F)cc(N2CC(=O)N[C@H](CC(C)C)C2=O)c1 CC(C)C[*:1] Cc1cc(F)cc(c1)N1CC(=O)N[C@H](C1=O)[*:1]
Cc1cc(F)cc(N2CC(=O)N[C@H](CC(C)C)C2=O)c1 CC(C)[*:1] Cc1cc(F)cc(c1)N1CC(=O)N[C@H](C[*:1])C1=O
COCCN1C(=O)NC(=N)[C@@]1(C)C1CC1 COC[*:1] C[C@]1(C(=N)NC(=O)N1C[*:1])C1CC1
COCCN1C(=O)NC(=N)[C@@]1(C)C1CC1 C1CC1[*:1] COCCN1C(=O)NC(=N)[C@]1(C)[*:1]
COCCN1C(=O)NC(=N)[C@@]1(C)C1CC1 COCC[*:1] C[C@]1(C(=N)NC(=O)N1[*:1])C1CC1
COc1ccc(CNC(=O)C[C@@H](NC(C)=O)c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CNC(=O)C[C@@H](NC(C)=O)[*:1]
COc1ccc(CNC(=O)C[C@@H](NC(C)=O)c2cccs2)cc1 CC(=O)N[*:1] COc1ccc(cc1)CNC(=O)C[C@@H](c1cccs1)[*:1]
CCCNC(=O)[C@@H](CC)n1c2ccccc2c2nc(=O)cc(C)n21 CCCNC(=O)[*:1] CC[C@@H](n1c2ccccc2c2nc(=O)cc(C)n21)[*:1]
CCCNC(=O)[C@@H](CC)n1c2ccccc2c2nc(=O)cc(C)n21 CCC[*:1] CC[C@H](C(=O)N[*:1])n1c2ccccc2c2nc(=O)cc(C)n21
CC[C@H](CO)NC(=O)Nc1cc(C(=O)N(C)C)ccc1C CN(C)C(=O)[*:1] CC[C@H](CO)NC(=O)Nc1cc(ccc1C)[*:1]
CC[C@H](CO)NC(=O)Nc1cc(C(=O)N(C)C)ccc1C CC[C@H](CO)[*:1] Cc1ccc(cc1NC(=O)N[*:1])C(=O)N(C)C
C[C@]1(c2ccccc2)O[C@@H](O)C[C@H]1n1nc2ccccc2n1 c1ccc(cc1)[*:1] C[C@@]1(O[C@@H](O)C[C@H]1n1nc2ccccc2n1)[*:1]
COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2F)C1 COc1ccccc1[*:1] O=S(=O)(c1c(F)cccc1F)N1CC[C@H](C1)[*:1]
COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] COc1ccccc1[C@@H]1CCN(C1)S(=O)(=O)[*:1]
CC(C)c1c([O-])[nH]c([C@@H]2CSCCO2)nc1=O CC(C)[*:1] O=c1nc([nH]c([O-])c1[*:1])[C@@H]1CSCCO1
O=C([O-])c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1Cl O=C([O-])[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(c(Cl)c1)[*:1]
CC(C)(C)c1ccc(C(=O)N2CCOCC2)cc1Br CC(C)(C)[*:1] O=C(c1ccc(c(Br)c1)[*:1])N1CCOCC1
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)C(=O)NNC(=O)[C@@H]1CC=CC[C@H]1[*:1]
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 CC(C)[*:1] O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(cc1)[*:1]
C=CCCC(=O)N1CCNC(=O)[C@H]1CC C=CC[*:1] CC[C@@H]1C(=O)NCCN1C(=O)C[*:1]
C=CCCC(=O)N1CCNC(=O)[C@H]1CC C=CCC[*:1] CC[C@@H]1C(=O)NCCN1C(=O)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1C c1cnc(nc1)[*:1] Cc1ccc(cc1C)NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1C Cc1ccc(cc1C)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCN(CC1)c1ncccn1
CC1CCC(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccc(F)cc4)c3c2=O)CC1 CC1CCC(CC1)NC(=O)C[*:1] O=c1c2c(cnn1[*:1])c1ccccc1n2Cc1ccc(F)cc1
CC1CCC(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccc(F)cc4)c3c2=O)CC1 Fc1ccc(cc1)[*:1] CC1CCC(CC1)NC(=O)Cn1ncc2c3ccccc3n(C[*:1])c2c1=O
CC1CCC(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccc(F)cc4)c3c2=O)CC1 CC1CCC(CC1)[*:1] O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)N[*:1]
CC1CCC(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccc(F)cc4)c3c2=O)CC1 CC1CCC(CC1)NC(=O)[*:1] O=c1c2c(cnn1C[*:1])c1ccccc1n2Cc1ccc(F)cc1
CC1CCC(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccc(F)cc4)c3c2=O)CC1 Fc1ccc(cc1)C[*:1] CC1CCC(CC1)NC(=O)Cn1ncc2c3ccccc3n(c2c1=O)[*:1]
Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 O=[N+]([O-])[*:1] Cc1[nH]c2ccccc2c1C1=CCN(CC1)C(=O)Nc1cccc(c1C)[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc3c2OCCO3)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc2OCCOc12)[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc3c2OCCO3)o1 Cc1ccc(o1)[C@@H](C)[*:1] O=C(Nc1cccc2OCCOc12)C(=O)N[*:1]
N#Cc1cccc(C(=O)N2CCC(c3cccs3)CC2)c1 c1csc(c1)[*:1] N#Cc1cccc(c1)C(=O)N1CCC(CC1)[*:1]
COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)[C@H]4N=C(C)C=C4C)C3)cc2)c1 COc1cccc(c1)[*:1] CC1=CC(C)=N[C@@H]1C(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccncc1)C1CC1 c1cc(ccn1)[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C[*:1])C1CC1
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccncc1)C1CC1 N#CC[*:1] C[C@@H](Sc1ccccc1NC(=O)N(Cc1ccncc1)C1CC1)[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccncc1)C1CC1 c1cc(ccn1)C[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C1CC1)[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccncc1)C1CC1 C1CC1[*:1] C[C@@H](CC#N)Sc1ccccc1NC(=O)N(Cc1ccncc1)[*:1]
COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)Nc2ccncc2)cc1 O=C(Nc1ccncc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC=CC[C@@H]1[*:1]
COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)Nc2ccncc2)cc1 c1cc(ccn1)[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[*:1]
COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)Nc2ccncc2)cc1 COC(=O)[*:1] O=C(Nc1ccncc1)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C Fc1ccc(cc1)[*:1] Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](c1nccn1C)[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C Cc1cc(F)ccc1[*:1] Cn1ccnc1[C@@H](NC(=O)C(=O)N[*:1])c1ccc(F)cc1
Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C Cn1ccnc1[*:1] Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)N1C(=O)NC2NC(=O)N(C(C)C)C21 CC(C)[*:1] CC(C)N1C(=O)NC2NC(=O)N(C21)[*:1]
C=CCNc1nc(-c2ccc(SC)cc2)cs1 C=CCN[*:1] CSc1ccc(cc1)-c1csc(n1)[*:1]
C=CCNc1nc(-c2ccc(SC)cc2)cs1 C=CC[*:1] CSc1ccc(cc1)-c1csc(n1)N[*:1]
Cc1cc(C)c(O)c(-c2cc(C(=O)NCc3ccccc3)n[nH]2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(O)c(c1)-c1cc(n[nH]1)C(=O)N[*:1]
Cc1cc(C)c(O)c(-c2cc(C(=O)NCc3ccccc3)n[nH]2)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(O)c(c1)-c1cc(n[nH]1)C(=O)NC[*:1]
Cc1cc2c(NC[C@H](O)c3cccc(C(F)(F)F)c3)ncnc2s1 FC(F)(F)[*:1] Cc1cc2c(ncnc2s1)NC[C@H](O)c1cccc(c1)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccccc1)C(=O)C2 c1ccc(cc1)[*:1] CC1(C)[C@@H]2CC[C@]1(C(=O)C2)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCCSc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C(=O)NCCS[*:1])c(F)c1
Cc1ccc(NC(=O)C(=O)NCCSc2ccccc2)c(F)c1 c1ccc(cc1)S[*:1] Cc1ccc(NC(=O)C(=O)NCC[*:1])c(F)c1
COc1cc(C)c(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1OC CC(C)(C)[*:1] COc1cc(C)c(cc1OC)S(=O)(=O)Nc1cnn(c1)[*:1]
Cc1cc(C)c(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c(Cl)c1 O=S1(=O)CCCN1[*:1] Cc1cc(C)c(NC(=O)c2cccc(c2)[*:1])c(Cl)c1
NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(cc1)[*:1]
NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(C(F)(F)F)cc1 NC(=O)c1ccccc1[*:1] O=C(NCC#CCO[*:1])c1ccc(cc1)C(F)(F)F
NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(C(F)(F)F)cc1 NC(=O)[*:1] O=C(NCC#CCOc1ccccc1[*:1])c1ccc(cc1)C(F)(F)F
CCn1c(C(=O)NCCc2ccccc2F)cc2sccc21 Fc1ccccc1[*:1] CCn1c(cc2sccc21)C(=O)NCC[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1 C1CCC(C1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
COC[C@H](C)O[C@@H]1CC[C@H](O)C1 COC[*:1] C[C@H](O[C@@H]1CC[C@H](O)C1)[*:1]
O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccccc1N1CCOCC1 O=[N+]([O-])[*:1] O=C(/C=C/c1cc(ccc1OC(F)F)[*:1])Nc1ccccc1N1CCOCC1
O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccccc1N1CCOCC1 FC(F)O[*:1] O=C(/C=C/c1cc(ccc1[*:1])[N+](=O)[O-])Nc1ccccc1N1CCOCC1
O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccccc1N1CCOCC1 FC(F)[*:1] O=C(/C=C/c1cc(ccc1O[*:1])[N+](=O)[O-])Nc1ccccc1N1CCOCC1
O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(/C=C/c1cc(ccc1OC(F)F)[N+](=O)[O-])Nc1ccccc1[*:1]
COc1ccc(Cl)cc1NC(=O)Cn1c(C(C)C)nc2c(c1=O)CC[NH+](Cc1ccccc1)C2 COc1ccc(Cl)cc1[*:1] CC(C)c1nc2C[NH+](CCc2c(=O)n1CC(=O)N[*:1])Cc1ccccc1
COc1ccc(Cl)cc1NC(=O)Cn1c(C(C)C)nc2c(c1=O)CC[NH+](Cc1ccccc1)C2 CC(C)[*:1] COc1ccc(Cl)cc1NC(=O)Cn1c(nc2C[NH+](CCc2c1=O)Cc1ccccc1)[*:1]
COc1ccc(Cl)cc1NC(=O)Cn1c(C(C)C)nc2c(c1=O)CC[NH+](Cc1ccccc1)C2 c1ccc(cc1)C[*:1] COc1ccc(Cl)cc1NC(=O)Cn1c(nc2C[NH+](CCc2c1=O)[*:1])C(C)C
COc1ccc(Cl)cc1NC(=O)Cn1c(C(C)C)nc2c(c1=O)CC[NH+](Cc1ccccc1)C2 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)Cn1c(nc2C[NH+](CCc2c1=O)C[*:1])C(C)C
CCOC(=O)c1ccc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)cc1 CCOC(=O)[*:1] Cc1nc(SCC(=O)Nc2ccc(cc2)[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
CSCC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 CSC[*:1] C[C@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)[*:1]
CSCC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 CSCC(=O)N[*:1] C[C@H]1CCCCN1C(=O)c1ccc(cc1)[*:1]
COc1ccc(CC(=O)NCC[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)NCC[NH+]1CCC(O)(CC1)[*:1]
COc1ccc(CC(=O)NCC[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(NCC[NH+]1CCC(O)(CC1)c1ccc(F)cc1)[*:1]
COc1ccc(CC(=O)NCC[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])NCC[NH+]1CCC(O)(CC1)c1ccc(F)cc1
Cc1cc(=O)oc2cc(OCCO)c(Cl)cc12 OCCO[*:1] Cc1cc(=O)oc2cc(c(Cl)cc12)[*:1]
Cc1cc(=O)oc2cc(OCCO)c(Cl)cc12 OCC[*:1] Cc1cc(=O)oc2cc(O[*:1])c(Cl)cc12
COc1ccc([C@@H]2NC(=S)NC3=C(C4=[NH+]CCN4)CCC[C@@H]32)cc1 COc1ccc(cc1)[*:1] S=C1NC2=C(CCC[C@@H]2[C@@H](N1)[*:1])C1NCC[NH+]=1
CN(C)C(=O)CN(C)C(=O)c1cccnc1SCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CN(C)C(=O)CN(C)C(=O)c1cccnc1S[*:1]
CN(C)C(=O)CN(C)C(=O)c1cccnc1SCc1ccc(F)cc1 CN(C)C(=O)C[*:1] CN(C(=O)c1cccnc1SCc1ccc(F)cc1)[*:1]
CN(C)C(=O)CN(C)C(=O)c1cccnc1SCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C)C(=O)CN(C)C(=O)c1cccnc1SC[*:1]
CN(C)C(=O)CN(C)C(=O)c1cccnc1SCc1ccc(F)cc1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)c1cccnc1SCc1ccc(F)cc1
CCCCOC(=O)CN1CCN(c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CCCCOC(=O)CN1CCN(CC1)[*:1]
CCCCOC(=O)CN1CCN(c2cccc(C)c2)CC1 CCCC[*:1] Cc1cccc(c1)N1CCN(CC1)CC(=O)O[*:1]
CCCCOC(=O)CN1CCN(c2cccc(C)c2)CC1 CCC[*:1] Cc1cccc(c1)N1CCN(CC1)CC(=O)OC[*:1]
CCCCOC(=O)CN1CCN(c2cccc(C)c2)CC1 CCCCOC(=O)[*:1] Cc1cccc(c1)N1CCN(CC1)C[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cc(Cl)cc(Cl)c2)cc1 O=C(C[*:1])N1CCOCC1 Cc1ccc(cc1)S(=O)(=O)N(c1cc(Cl)cc(Cl)c1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cc(Cl)cc(Cl)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)[*:1])N1CCOCC1
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cc(Cl)cc(Cl)c2)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1cc(Cl)cc(Cl)c1
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cc(Cl)cc(Cl)c2)cc1 Clc1cc(Cl)cc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCOCC1)[*:1]
COC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1 COC(=O)[*:1] O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)Nc1ccc(cc1)[*:1]
COc1ccc(Cl)cc1C(=O)N(C)CC(=O)Nc1ccccc1Br Brc1ccccc1[*:1] COc1ccc(Cl)cc1C(=O)N(C)CC(=O)N[*:1]
CCc1nn(C)cc1CNC(=O)N[C@@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CCc1nn(C)cc1CNC(=O)N[C@@H](C)[*:1]
C[C@H](C/[NH+]=C(/N)NC1CCCCCC1)Cn1cccn1 c1cnn(c1)C[*:1] C[C@H](C/[NH+]=C(/N)NC1CCCCCC1)[*:1]
C[C@H](C/[NH+]=C(/N)NC1CCCCCC1)Cn1cccn1 c1cnn(c1)[*:1] C[C@H](C/[NH+]=C(/N)NC1CCCCCC1)C[*:1]
Cc1cnc(-c2nc(C3CCN(C(=O)CCc4ccccc4F)CC3)no2)cn1 Fc1ccccc1CC[*:1] Cc1cnc(cn1)-c1nc(no1)C1CCN(CC1)C(=O)[*:1]
Cc1cnc(-c2nc(C3CCN(C(=O)CCc4ccccc4F)CC3)no2)cn1 Fc1ccccc1[*:1] Cc1cnc(cn1)-c1nc(no1)C1CCN(CC1)C(=O)CC[*:1]
Cc1cnc(-c2nc(C3CCN(C(=O)CCc4ccccc4F)CC3)no2)cn1 Cc1cnc(cn1)[*:1] O=C(CCc1ccccc1F)N1CCC(CC1)c1noc(n1)[*:1]
Cc1cnc(-c2nc(C3CCN(C(=O)CCc4ccccc4F)CC3)no2)cn1 Fc1ccccc1C[*:1] Cc1cnc(cn1)-c1nc(no1)C1CCN(CC1)C(=O)C[*:1]
CC(=O)Nc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCC(=O)N(N=1)c1ccccc1
CC(=O)Nc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C1CCC(=O)N(N=1)[*:1]
CN(C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-])C1CC1 O=C([O-])[*:1] CN(C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1[*:1])C1CC1
CN(C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-])C1CC1 C1CC1[*:1] CN(C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-])[*:1]
Cc1nnsc1C(=O)N1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] Cc1nnsc1C(=O)N1C[C@@H]2CCCC[C@@H]2C[C@H]1[*:1]
Cc1nnsc1C(=O)N1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C Cc1nnsc1[*:1] CC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@H]2CN1C(=O)[*:1]
Cc1nnsc1C(=O)N1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1nnsc1C(=O)N1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)N[*:1]
Cc1cccnc1N1N=C(C(C)C)N[C@H]1c1cc(=O)[nH]c2ccc(F)cc12 CC(C)[*:1] Cc1cccnc1N1N=C(N[C@H]1c1cc(=O)[nH]c2ccc(F)cc12)[*:1]
Cc1cccnc1N1N=C(C(C)C)N[C@H]1c1cc(=O)[nH]c2ccc(F)cc12 Cc1cccnc1[*:1] CC(C)C1=NN([C@@H](N1)c1cc(=O)[nH]c2ccc(F)cc12)[*:1]
CCCc1noc(CCC(=O)Nc2ncccc2C)n1 CCC[*:1] Cc1cccnc1NC(=O)CCc1nc(no1)[*:1]
CC[C@H](C)N1C(=O)C(CC)(CC)NC(=O)[C@@]1(C)C1CC1 C1CC1[*:1] CC[C@H](C)N1C(=O)C(CC)(CC)NC(=O)[C@]1(C)[*:1]
CC[C@H](C)N1C(=O)C(CC)(CC)NC(=O)[C@@]1(C)C1CC1 CC[C@H](C)[*:1] CCC1(CC)NC(=O)[C@@](C)(C2CC2)N(C1=O)[*:1]
COc1cc(C(=O)NO[C@@H]2CCCCO2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C(=O)NO[C@@H]1CCCCO1
COc1cc(C(=O)NO[C@@H]2CCCCO2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C(=O)NO[C@@H]1CCCCO1
CCOCCCC(=O)N1c2ccc(N)cc2C[C@H]1C CCO[*:1] C[C@@H]1Cc2cc(N)ccc2N1C(=O)CCC[*:1]
CCOCCCC(=O)N1c2ccc(N)cc2C[C@H]1C CCOCCC[*:1] C[C@@H]1Cc2cc(N)ccc2N1C(=O)[*:1]
CCOCCCC(=O)N1c2ccc(N)cc2C[C@H]1C CCOC[*:1] C[C@@H]1Cc2cc(N)ccc2N1C(=O)CC[*:1]
CCOCCCC(=O)N1c2ccc(N)cc2C[C@H]1C CCOCC[*:1] C[C@@H]1Cc2cc(N)ccc2N1C(=O)C[*:1]
CCC[C@@H]1CN(C(=O)CCc2c[nH]c3c(C)cccc23)CCO1 CCC[*:1] Cc1cccc2c(c[nH]c12)CCC(=O)N1CCO[C@@H](C1)[*:1]
CS(=O)(=O)c1cc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)[nH+]c1-c1ccc(Cl)cc1 Clc1cccc(c1)[*:1] CS(=O)(=O)c1cc(C#N)c([nH+]c1-c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
CS(=O)(=O)c1cc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)[nH+]c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)c1cc(C#N)c([nH+]c1[*:1])N1CCN(CC1)c1cccc(Cl)c1
CS(=O)(=O)c1cc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)[nH+]c1-c1ccc(Cl)cc1 CS(=O)(=O)[*:1] N#Cc1cc(c([nH+]c1N1CCN(CC1)c1cccc(Cl)c1)-c1ccc(Cl)cc1)[*:1]
O=C(c1cccc(Oc2cnccn2)c1)N1CCCCCC1 c1cnc(cn1)[*:1] O=C(c1cccc(c1)O[*:1])N1CCCCCC1
O=C(c1cccc(Oc2cnccn2)c1)N1CCCCCC1 c1cnc(cn1)O[*:1] O=C(c1cccc(c1)[*:1])N1CCCCCC1
O=C(NCc1ccc(F)cc1F)C1CCN(c2ncnc3c2oc2ccccc23)CC1 Fc1ccc(c(F)c1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1ncnc2c1oc1ccccc12
O=C(NCc1ccc(F)cc1F)C1CCN(c2ncnc3c2oc2ccccc23)CC1 Fc1ccc(C[*:1])c(F)c1 O=C(N[*:1])C1CCN(CC1)c1ncnc2c1oc1ccccc12
O=C(Oc1cccc(F)c1F)C1CCN(S(=O)(=O)c2cccs2)CC1 Fc1cccc(c1F)[*:1] O=C(O[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
O=C(Oc1cccc(F)c1F)C1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(Oc1cccc(F)c1F)C1CCN(CC1)S(=O)(=O)[*:1]
CCOc1ccccc1OCCn1cc(Cl)c(=O)[nH]c1=O CCO[*:1] O=c1[nH]c(=O)n(cc1Cl)CCOc1ccccc1[*:1]
C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1cccc2ccccc12 O=S(=O)(N1CCOCC1)[*:1] C[C@H](NC(=O)c1sccc1[*:1])c1cccc2ccccc12
CCOC(=O)C1(C)CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 CCOC(=O)[*:1] Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 Cc1c(Cl)cccc1[*:1] CCOC(=O)C1(C)CC[NH+](CC1)CC(=O)N[*:1]
O=C([O-])c1ccccc1S[C@H]1CCOC2(CCCCC2)C1 O=C([O-])[*:1] c1ccc(c(c1)S[C@H]1CCOC2(CCCCC2)C1)[*:1]
C[C@H](NC(=O)NCCc1cn2ccccc2n1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)NCCc1cn2ccccc2n1)[*:1]
O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccs1 c1csc(c1)[*:1] O=C(Nc1ccc2OC3(CCCC3)Oc2c1)[*:1]
COC(=O)[C@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O COC(=O)[*:1] Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)N1[C@@H]2CCCC[C@@H]2C[C@@H]1[*:1]
Cc1cc(C)cc(CC(=O)[C@H]2CN(C(C)C)CCO2)c1 CC(C)[*:1] Cc1cc(C)cc(c1)CC(=O)[C@H]1CN(CCO1)[*:1]
C/C=C/C[S@](=O)Cc1csc(-c2ccc(OC)cc2)n1 CC=C[*:1] COc1ccc(cc1)-c1nc(cs1)C[S@@](=O)C[*:1]
C/C=C/C[S@](=O)Cc1csc(-c2ccc(OC)cc2)n1 C/C=C/C[*:1] COc1ccc(cc1)-c1nc(cs1)C[S@@](=O)[*:1]
O=C(NCCN1CCOCC1)c1cc2c([nH]c1=O)CCCC2 C1CN(CCO1)C[*:1] O=C(NC[*:1])c1cc2CCCCc2[nH]c1=O
O=C(NCCN1CCOCC1)c1cc2c([nH]c1=O)CCCC2 C1CN(CCO1)[*:1] O=C(NCC[*:1])c1cc2CCCCc2[nH]c1=O
NC(=O)c1cncc(Sc2ccc(C(F)(F)F)cn2)n1 NC(=O)[*:1] FC(F)(F)c1ccc(nc1)Sc1cncc(n1)[*:1]
NC(=O)c1cncc(Sc2ccc(C(F)(F)F)cn2)n1 FC(F)(F)[*:1] NC(=O)c1cncc(n1)Sc1ccc(cn1)[*:1]
COC[C@@H](C)NC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 COC[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)NC(=O)C[NH+]1CCCCCCC1)[*:1]
COC[C@@H](C)NC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 COC[C@@H](C)[*:1] O=C(C[NH+]1CCCCCCC1)Nc1ccc(cc1)NC(=O)N[*:1]
COC[C@@H](C)NC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 COC[C@@H](C)NC(=O)N[*:1] O=C(C[NH+]1CCCCCCC1)Nc1ccc(cc1)[*:1]
CC[C@H](C)[NH2+]CCc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CC[C@H](C)[NH2+]CCc1ccc(cc1)[*:1]
COc1ccc(-c2cc(=O)[nH]c(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC COc1ccc(cc1OC)[*:1] O=c1cc(nc([nH]1)N1CC[NH+](CC1)Cc1ccc2OCOc2c1)[*:1]
COc1ccc(-c2cc(=O)[nH]c(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC c1cc2OCOc2cc1C[*:1] COc1ccc(cc1OC)-c1cc(=O)[nH]c(n1)N1CC[NH+](CC1)[*:1]
COc1ccc(-c2cc(=O)[nH]c(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)cc1OC c1cc2OCOc2cc1[*:1] COc1ccc(cc1OC)-c1cc(=O)[nH]c(n1)N1CC[NH+](CC1)C[*:1]
O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1c1cccnc1
O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1c1cccnc1
O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1 c1ccc(cc1)OC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1c1cccnc1)[*:1]
O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1 c1cncc(c1)[*:1] O=C(COc1ccccc1)Nc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCC3)CC2)cc1 C1CC(C1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCC3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CC1CCC1)N1CCN(CC1)S(=O)(=O)[*:1]
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCC3)CC2)cc1 C1CC(C1)C[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
O=C(CCC1=c2ccccc2=[NH+]C1)Nc1ccc2nc(N3CCOCC3)sc2c1 C1CN(CCO1)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)Nc1ccc2nc(sc2c1)[*:1]
O=C(Cc1ccccc1Br)C1([NH+]2CCCCC2)CCCC1 Brc1ccccc1[*:1] O=C(C[*:1])C1(CCCC1)[NH+]1CCCCC1
C[C@H](CNC(=O)c1csc(S(N)(=O)=O)c1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1csc(c1)S(N)(=O)=O)N(C)[*:1]
C[C@H](CNC(=O)c1csc(S(N)(=O)=O)c1)N(C)c1ccccc1 NS(=O)(=O)[*:1] C[C@H](CNC(=O)c1csc(c1)[*:1])N(C)c1ccccc1
CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 CNS(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H]1c1nc2ccccc2s1
CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 c1ccc2sc(nc2c1)[*:1] CNS(=O)(=O)c1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
COc1ccc(-c2nc3c(C)cccc3cc2CN(C)Cc2cc[nH]n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cccc2cc(CN(C)Cc3cc[nH]n3)c(nc12)[*:1]
COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c3=O)cc1 COc1ccc(cc1)[*:1] O=C(Cn1nc2N(CCn2c(=O)c1=O)[*:1])Nc1ccc(F)cc1F
COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c3=O)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1)N1CCn2c1nn(CC(=O)N[*:1])c(=O)c2=O
N#Cc1csc(C(=O)NCc2nc(-c3cccs3)no2)c1 N#Cc1csc(c1)[*:1] O=C(NCc1nc(no1)-c1cccs1)[*:1]
N#Cc1csc(C(=O)NCc2nc(-c3cccs3)no2)c1 c1csc(c1)[*:1] N#Cc1csc(c1)C(=O)NCc1nc(no1)[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3c(=O)[nH]cnc32)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nc2c(=O)[nH]cnc2n1[*:1])Nc1ccc2OCOc2c1
Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3c(=O)[nH]cnc32)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)-n1c(nc2c(=O)[nH]cnc21)SCC(=O)N[*:1]
CC[C@@H](COC)NC(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] CC[C@@H](COC)NC(=O)NC[C@@H]1CC[C@H](O1)[*:1]
CC[C@@H](COC)NC(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 CC[C@@H](COC)[*:1] O=C(NC[C@@H]1CC[C@@H](O1)C(=O)[O-])N[*:1]
CC[C@@H](COC)NC(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 COC[*:1] CC[C@@H](NC(=O)NC[C@@H]1CC[C@@H](O1)C(=O)[O-])[*:1]
O=C(c1cc(C2CC2)[nH]n1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 C1CC1[*:1] O=C(c1cc([nH]n1)[*:1])N1CCN(CC1)S(=O)(=O)N1CCCCCC1
O=C(c1cc(C2CC2)[nH]n1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 c1c(n[nH]c1C1CC1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)N1CCCCCC1)[*:1]
Cc1ccc2oc(C(=O)N3CCC[C@@H]3C[C@@H](C)O)cc2c1 C[C@@H](O)[*:1] Cc1ccc2oc(cc2c1)C(=O)N1CCC[C@@H]1C[*:1]
Cc1ccc2oc(C(=O)N3CCC[C@@H]3C[C@@H](C)O)cc2c1 C[C@@H](O)C[*:1] Cc1ccc2oc(cc2c1)C(=O)N1CCC[C@H]1[*:1]
Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)NCc3ccco3)n2)n1 c1coc(c1)C[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(n1)[C@@H](C)C(=O)N[*:1]
Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)NCc3ccco3)n2)n1 c1coc(c1)[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(n1)[C@@H](C)C(=O)NC[*:1]
Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)NCc3ccco3)n2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C(=O)NCc1ccco1)n1nc(ccc1=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)C[*:1]
Cc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)[*:1]
COc1ccccc1CC(=O)C(C)(C)OC COC(C)(C)[*:1] COc1ccccc1CC(=O)[*:1]
COc1cccc([C@H](O)CNC(=O)Nc2cc(OC)ccc2F)c1 COc1cccc(c1)[*:1] COc1ccc(F)c(c1)NC(=O)NC[C@@H](O)[*:1]
O=C(CO[C@H](c1ccccc1)C(F)(F)F)N1CCN(C(=O)c2nc[nH]n2)CC1 FC(F)(F)[*:1] O=C(CO[C@H](c1ccccc1)[*:1])N1CCN(CC1)C(=O)c1nc[nH]n1
O=C(CO[C@H](c1ccccc1)C(F)(F)F)N1CCN(C(=O)c2nc[nH]n2)CC1 c1ccc(cc1)[*:1] O=C(CO[C@H](C(F)(F)F)[*:1])N1CCN(CC1)C(=O)c1nc[nH]n1
CCc1ccsc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 CCc1ccsc1[*:1] O=C(N1CCN(C/C=C/c2ccccc2)CC1)[*:1]
CCc1ccsc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 CCc1ccsc1C(=O)N1CCN(CC1)C[*:1]
CCc1ccsc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] CCc1ccsc1C(=O)N1CCN(CC=C[*:1])CC1
O=C(O[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(OCC2CC2)nc1 C1CC1CO[*:1] O=C(O[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(nc1)[*:1]
O=C(O[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(OCC2CC2)nc1 C1CC1C[*:1] O=C(O[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(nc1)O[*:1]
O=C(O[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(OCC2CC2)nc1 C1CC1[*:1] O=C(O[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(nc1)OC[*:1]
CCN(C(=O)CCC(=O)Nc1nnc(C2CC2)o1)c1ccc(F)cc1 C1CC1c1nnc(o1)[*:1] CCN(C(=O)CCC(=O)N[*:1])c1ccc(F)cc1
CCN(C(=O)CCC(=O)Nc1nnc(C2CC2)o1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)CCC(=O)Nc1nnc(o1)C1CC1)[*:1]
CCN(C(=O)CCC(=O)Nc1nnc(C2CC2)o1)c1ccc(F)cc1 C1CC1[*:1] CCN(C(=O)CCC(=O)Nc1nnc(o1)[*:1])c1ccc(F)cc1
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)C(O)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)C(O)(c1ccccc1)[*:1]
CCOc1cccc2cc([C@H](C)NC(=O)N3CCOCC[C@@H]3C)oc12 CCO[*:1] C[C@H](NC(=O)N1CCOCC[C@@H]1C)c1cc2cccc(c2o1)[*:1]
COC(=O)c1cccc(N2CCN(Cc3ccc(F)cc3Cl)CC2)n1 COC(=O)[*:1] Fc1ccc(CN2CCN(CC2)c2cccc(n2)[*:1])c(Cl)c1
COC(=O)c1cccc(N2CCN(Cc3ccc(F)cc3Cl)CC2)n1 Fc1ccc(c(Cl)c1)[*:1] COC(=O)c1cccc(n1)N1CCN(CC1)C[*:1]
C[NH+](CCC1OCCCO1)CCS(C)(=O)=O CS(=O)(=O)C[*:1] C[NH+](CCC1OCCCO1)C[*:1]
C[NH+](CCC1OCCCO1)CCS(C)(=O)=O CS(=O)(=O)[*:1] C[NH+](CCC1OCCCO1)CC[*:1]
COc1cccc(-n2c(C)c(C)n3c4c(=O)n(Cc5ccccc5F)c(=O)n(C)c4nc23)c1 Fc1ccccc1C[*:1] COc1cccc(c1)-n1c(C)c(C)n2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
COc1cccc(-n2c(C)c(C)n3c4c(=O)n(Cc5ccccc5F)c(=O)n(C)c4nc23)c1 Fc1ccccc1[*:1] COc1cccc(c1)-n1c(C)c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
COc1cccc(-n2c(C)c(C)n3c4c(=O)n(Cc5ccccc5F)c(=O)n(C)c4nc23)c1 COc1cccc(c1)[*:1] Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1[*:1]
CC[C@@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](C)C(=O)N1CCc2cc(OC)c(cc2[C@H]1[*:1])OC
CC[C@@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(Cl)c1 CC[C@@H](C)[*:1] COc1cc2CCN(C(=O)[*:1])[C@@H](c3cccc(Cl)c3)c2cc1OC
CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)N(Cc1nc(no1)-c1ccccc1)C(=O)[*:1]
CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(F)c1 CC(C)[*:1] O=C(c1cccc(F)c1)N(Cc1nc(no1)-c1ccccc1)[*:1]
CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(F)c1 c1ccc(cc1)[*:1] CC(C)N(Cc1nc(no1)[*:1])C(=O)c1cccc(F)c1
CC(C)NC(=O)C[NH+](C)CC1CCCCC1 CC(C)[*:1] C[NH+](CC(=O)N[*:1])CC1CCCCC1
Cc1ccc(O[C@@H](C)CNC(=O)N2CCCC[C@@H]2C2OCCO2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](CNC(=O)N1CCCC[C@@H]1C1OCCO1)[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)N2CCCC[C@@H]2C2OCCO2)cc1 C1COC(O1)[*:1] Cc1ccc(cc1)O[C@@H](C)CNC(=O)N1CCCC[C@H]1[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)N2CCCC[C@@H]2C2OCCO2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N1CCCC[C@@H]1C1OCCO1)O[*:1]
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NCCOC COCC[*:1] CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)N[*:1]
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NCCOC COC[*:1] CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NC[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 FC(F)(F)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)[C@H]1CCCN(C1)C[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 FC(F)(F)C[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)[C@H]1CCCN(C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)C(=O)[C@H]1CCCN(C1)CC(F)(F)F)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 COC(=O)C(C)(C)[*:1] O=C([C@H]1CCCN(C1)CC(F)(F)F)N1CCC[C@H](C1)[*:1]
Cc1[nH]nc(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c1[N+](=O)[O-] Fc1cccc(c1)C[*:1] Cc1[nH]nc(C(=O)N[C@H](c2cccc(F)c2)[*:1])c1[N+](=O)[O-]
Cc1[nH]nc(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c1[N+](=O)[O-] Fc1cccc(c1)[*:1] Cc1[nH]nc(C(=O)N[C@H](Cc2cccc(F)c2)[*:1])c1[N+](=O)[O-]
Cc1[nH]nc(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c1[N+](=O)[O-] Cc1[nH]nc(c1[N+](=O)[O-])[*:1] O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)[*:1]
Cc1[nH]nc(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1[nH]nc(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c1[*:1]
Cc1[nH]nc(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)c1[N+](=O)[O-] Fc1cccc(c1)[*:1] Cc1[nH]nc(C(=O)N[C@H](C[*:1])c2cccc(F)c2)c1[N+](=O)[O-]
CCOc1ccccc1CNc1ccc2c(c1)COC2 CCO[*:1] c1ccc(c(c1)CNc1ccc2COCc2c1)[*:1]
COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cnccc1C Cc1ccncc1[*:1] COCc1nc2[C@H](CCCn2n1)NC(=O)N[*:1]
COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cnccc1C COC[*:1] Cc1ccncc1NC(=O)N[C@H]1CCCn2nc(nc21)[*:1]
O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCOC[C@H]1C1CC1 c1nnnn1[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCOC[C@H]1C1CC1
O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=S(=O)(c1cccc(c1)-n1cnnn1)N1CCOC[C@@H]1[*:1]
CCOc1ccc(N2CCc3c2nc2ccc(Br)cc2c3N)cc1 CCO[*:1] Nc1c2CCN(c3ccc(cc3)[*:1])c2nc2ccc(Br)cc12
Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1Cl Fc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)c1ccc(=O)n(c1)C[*:1]
Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1Cl Fc1ccc(cc1)C[*:1] Cc1ccc(cc1Cl)NC(=O)c1ccc(=O)n(c1)[*:1]
Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N[*:1])c1ccc(=O)n(c1)Cc1ccc(F)cc1
Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc2c(c1)OCCCO2 c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)c1ccc2OCCCOc2c1)[*:1]
O=C1CCc2cc(S(=O)(=O)NCCc3ccccc3Cl)ccc2N1 Clc1ccccc1C[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)NC[*:1]
O=C1CCc2cc(S(=O)(=O)NCCc3ccccc3Cl)ccc2N1 Clc1ccccc1[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)NCC[*:1]
Cc1ccc2c(c1)=C1S[C@@H](C(=O)NCCC(C)C)C=C1C(=O)[NH+]=2 CC(C)CC[*:1] Cc1ccc2=[NH+]C(=O)C3=C[C@@H](SC3=c2c1)C(=O)N[*:1]
Cc1ccc2c(c1)=C1S[C@@H](C(=O)NCCC(C)C)C=C1C(=O)[NH+]=2 CC(C)[*:1] Cc1ccc2=[NH+]C(=O)C3=C[C@@H](SC3=c2c1)C(=O)NCC[*:1]
Cc1ccc2c(c1)=C1S[C@@H](C(=O)NCCC(C)C)C=C1C(=O)[NH+]=2 CC(C)C[*:1] Cc1ccc2=[NH+]C(=O)C3=C[C@@H](SC3=c2c1)C(=O)NC[*:1]
Cn1c(CC2=NC(=O)[C@@H]3SC4=C(CC[C@H](C(C)(C)C)C4)C3=N2)nc2ccccc21 CC(C)(C)[*:1] Cn1c(CC2=NC(=O)[C@@H]3SC4C[C@@H](CCC=4C3=N2)[*:1])nc2ccccc21
CC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccc(c1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)Nc1cnc2ccccc2c1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1cnc2ccccc2c1
C[C@@H](Sc1ccccn1)C(=O)Nc1cnc2ccccc2c1 c1ccc(nc1)S[*:1] C[C@@H](C(=O)Nc1cnc2ccccc2c1)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(C(N)=O)c1)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@H](CC(=O)Nc1ccc(C)c(c1)C(N)=O)[*:1]
CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(C(N)=O)c1)c1ccc(C)cc1 NC(=O)[*:1] CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(c1)[*:1])c1ccc(C)cc1
CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(C(N)=O)c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(c1)C(N)=O)[*:1]
O[C@H](CCC(F)(F)F)C[C@@H]1CCCc2ccccc21 FC(F)(F)[*:1] O[C@H](CC[*:1])C[C@@H]1CCCc2ccccc21
O[C@H](CCC(F)(F)F)C[C@@H]1CCCc2ccccc21 FC(F)(F)C[*:1] O[C@@H](C[C@@H]1CCCc2ccccc21)C[*:1]
O[C@H](CCC(F)(F)F)C[C@@H]1CCCc2ccccc21 FC(F)(F)CC[*:1] O[C@H](C[C@@H]1CCCc2ccccc21)[*:1]
Cc1cc(C)cc(Nc2nc(N)c(C#N)c(CC#N)c2C#N)c1 N#CC[*:1] Cc1cc(C)cc(c1)Nc1nc(N)c(C#N)c(c1C#N)[*:1]
O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2s1 Brc1ccc(cc1)[*:1] O=c1[nH]c2ccc(cc2s1)S(=O)(=O)N[*:1]
C=CCC[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O C=CCC[C@H](C)[*:1] C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)O[*:1])C2=O
C=CCC[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O C=CC[*:1] C[C@@H](C[*:1])OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
C=CCC[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O C=CCC[*:1] C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)O[C@@H](C)[*:1])C2=O
NC(=O)[C@@H](OC(=O)CCc1ccc(F)cc1)C1CC1 C1CC1[*:1] NC(=O)[C@@H](OC(=O)CCc1ccc(F)cc1)[*:1]
NC(=O)[C@@H](OC(=O)CCc1ccc(F)cc1)C1CC1 NC(=O)[*:1] O=C(CCc1ccc(F)cc1)O[C@@H](C1CC1)[*:1]
COc1ccc(CC(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)CC(=O)NC[C@@H](C(C)C)[*:1]
COc1ccc(CC(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 CC(C)[*:1] COc1ccc(cc1)CC(=O)NC[C@@H](N1CCOCC1)[*:1]
CCc1nc2n(n1)CCC[C@H]2Nc1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 CC(=O)N1CCN(CC1)[*:1] CCc1nc2[C@@H](CCCn2n1)Nc1cc[nH+]c(c1)C[*:1]
CCc1nc(CC)n([C@@H]2CCC[C@]([NH2+]C)(C(=O)[O-])C2)n1 O=C([O-])[*:1] CCc1nc(CC)n(n1)[C@@H]1CCC[C@@](C1)([NH2+]C)[*:1]
O=C(NCCc1ccccn1)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(C[*:1])nc1 O=C(NC[C@@H]1CN(CCO1)Cc1ccccc1)NC[*:1]
O=C(NCCc1ccccn1)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(CC[*:1])nc1 O=C(NC[C@@H]1CN(CCO1)Cc1ccccc1)N[*:1]
O=C(NCCc1ccccn1)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] O=C(NCCc1ccccn1)NC[C@@H]1CN(CCO1)[*:1]
O=C(NCCc1ccccn1)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] O=C(NCCc1ccccn1)NC[C@@H]1CN(CCO1)C[*:1]
O=C(NCCc1ccccn1)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(nc1)[*:1] O=C(NCC[*:1])NC[C@@H]1CN(CCO1)Cc1ccccc1
Cc1cncc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)C(=O)N[C@@H]1C[C@@H](C)N(C1)[*:1]
Cc1cncc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)c1 Cc1cncc(c1)[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)[*:1]
CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CCO[C@H](C#N)C1 Cc1ccc(s1)[*:1] CC[C@H]([NH3+])[C@H](N1CCO[C@H](C#N)C1)[*:1]
O=C(Nc1cccnc1N1CCCC1)[C@@H]1CCCN(C(=O)C2CC2)C1 C1CC1[*:1] O=C(Nc1cccnc1N1CCCC1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1cccnc1N1CCCC1)[C@@H]1CCCN(C(=O)C2CC2)C1 C1CCN(C1)[*:1] O=C(Nc1cccnc1[*:1])[C@@H]1CCCN(C1)C(=O)C1CC1
CC(C)[C@@H](Sc1ccc(O)cc1)C(=O)NCc1ccccc1F Fc1ccccc1[*:1] CC(C)[C@@H](Sc1ccc(O)cc1)C(=O)NC[*:1]
CC(C)[C@@H](Sc1ccc(O)cc1)C(=O)NCc1ccccc1F Oc1ccc(cc1)[*:1] CC(C)[C@@H](S[*:1])C(=O)NCc1ccccc1F
CC(C)[C@@H](Sc1ccc(O)cc1)C(=O)NCc1ccccc1F CC(C)[*:1] O=C(NCc1ccccc1F)[C@H](Sc1ccc(O)cc1)[*:1]
CC(=O)c1ccnc(N2C[C@@H](O)C[C@@H]2C[NH+](C)C)c1 CC(=O)[*:1] C[NH+](C)C[C@H]1C[C@H](O)CN1c1cc(ccn1)[*:1]
Cc1cc(NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)no1 Clc1ccccc1[*:1] Cc1cc(no1)NC(=O)N1CCC[C@@H]1C[*:1]
Cc1cc(NC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)no1 Cc1cc(no1)[*:1] O=C(N[*:1])N1CCC[C@@H]1Cc1ccccc1Cl
C[C@H](CCO)CNC(=O)N[C@@H](c1cccs1)C(C)(C)C C[C@H](CCO)C[*:1] CC(C)(C)[C@@H](NC(=O)N[*:1])c1cccs1
C[C@H](CCO)CNC(=O)N[C@@H](c1cccs1)C(C)(C)C C[C@H](CCO)[*:1] CC(C)(C)[C@@H](NC(=O)NC[*:1])c1cccs1
C[C@H](CCO)CNC(=O)N[C@@H](c1cccs1)C(C)(C)C c1csc(c1)[*:1] C[C@H](CCO)CNC(=O)N[C@@H](C(C)(C)C)[*:1]
C[C@H](CCO)CNC(=O)N[C@@H](c1cccs1)C(C)(C)C CC(C)(C)[*:1] C[C@H](CCO)CNC(=O)N[C@@H](c1cccs1)[*:1]
C[C@H](CCO)CNC(=O)N[C@@H](c1cccs1)C(C)(C)C OCC[*:1] C[C@H](CNC(=O)N[C@@H](c1cccs1)C(C)(C)C)[*:1]
COc1ccc(OS(=O)(=O)c2cc(F)ccc2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OS(=O)(=O)c2cc(F)ccc2C)c(c1)[*:1]
O=C(c1ccccc1)[C@@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 c1ccc(cc1)CS[*:1] O=C(c1ccccc1)[C@@H]1Nc2ccccc2-c2nnc(nc2O1)[*:1]
O=C(c1ccccc1)[C@@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 c1ccc(cc1)[*:1] O=C(c1ccccc1)[C@@H]1Nc2ccccc2-c2nnc(nc2O1)SC[*:1]
O=C(c1ccccc1)[C@@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 c1ccc(cc1)[*:1] O=C([C@@H]1Nc2ccccc2-c2nnc(nc2O1)SCc1ccccc1)[*:1]
O=C(c1ccccc1)[C@@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 O=C(c1ccccc1)[*:1] c1ccc(cc1)CSc1nnc2-c3ccccc3N[C@H](Oc2n1)[*:1]
O=C(c1ccccc1)[C@@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 c1ccc(cc1)C[*:1] O=C(c1ccccc1)[C@@H]1Nc2ccccc2-c2nnc(nc2O1)S[*:1]
Cc1nc(CNC(=O)c2cccc3c2O[C@H](C)C(=O)N3)c(C)s1 Cc1nc(c(C)s1)[*:1] C[C@H]1Oc2c(cccc2C(=O)NC[*:1])NC1=O
N#C/C(=N/Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccn1 c1ccc(nc1)[*:1] N#C/C(=N/Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1)[*:1]
N#C/C(=N/Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccn1 O=S(=O)(N1CCOCC1)[*:1] N#C/C(=N/Nc1ccc(Cl)c(c1)[*:1])c1ccccn1
O=C(Nc1ccccc1F)C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1 Fc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)c1nc(no1)-c1ccc(Cl)cc1
O=C(Nc1ccccc1F)C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1F)C1CCN(CC1)c1nc(no1)[*:1]
COc1ccc([C@](C)([NH3+])Cc2nccs2)cc1 c1csc(n1)[*:1] COc1ccc(cc1)[C@](C)([NH3+])C[*:1]
CC[C@@H](C)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 CC[C@@H](C)[*:1] O=C1CN(CCN1)c1ccc(cn1)NC(=O)[*:1]
C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(ccc1Cl)[*:1]
Cn1c(C2CCC(CNC(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc2ccccc21 NS(=O)(=O)[*:1] Cn1c(nc2ccccc21)C1CCC(CC1)CNC(=O)c1ccc(cc1)[*:1]
Cn1c(C2CCC(CNC(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc2ccccc21 Cn1c(nc2ccccc21)[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)NCC1CCC(CC1)[*:1]
Cn1c(C2CCC(CNC(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc2ccccc21 NS(=O)(=O)c1ccc(cc1)[*:1] Cn1c(nc2ccccc21)C1CCC(CC1)CNC(=O)[*:1]
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@H]2SCCc3ccccc32)c1 CO[C@@H](C)C(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1SCCc2ccccc21
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@H]2SCCc3ccccc32)c1 CO[C@@H](C)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])[C@H]1SCCc2ccccc21
Cc1cc(C[NH+](C)Cc2cnc3cnccn23)cc(C)c1OCC(F)(F)F FC(F)(F)[*:1] Cc1cc(cc(C)c1OC[*:1])C[NH+](C)Cc1cnc2cnccn12
Cc1cc(C[NH+](C)Cc2cnc3cnccn23)cc(C)c1OCC(F)(F)F c1cn2c(cnc2cn1)[*:1] Cc1cc(cc(C)c1OCC(F)(F)F)C[NH+](C)C[*:1]
Cc1cc(C[NH+](C)Cc2cnc3cnccn23)cc(C)c1OCC(F)(F)F FC(F)(F)CO[*:1] Cc1cc(cc(C)c1[*:1])C[NH+](C)Cc1cnc2cnccn12
Cc1cc(C[NH+](C)Cc2cnc3cnccn23)cc(C)c1OCC(F)(F)F FC(F)(F)C[*:1] Cc1cc(cc(C)c1O[*:1])C[NH+](C)Cc1cnc2cnccn12
COCCSc1ccccc1C(=O)N1CCCCCC1 COCCS[*:1] O=C(c1ccccc1[*:1])N1CCCCCC1
COCCSc1ccccc1C(=O)N1CCCCCC1 COCC[*:1] O=C(c1ccccc1S[*:1])N1CCCCCC1
COCCSc1ccccc1C(=O)N1CCCCCC1 COC[*:1] O=C(c1ccccc1SC[*:1])N1CCCCCC1
Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2cccc3ccc(C)nc23)c1 Cc1cccc(c1)[*:1] Cc1ccc2cccc(NC(=O)C(=O)NCC(C)(C)[*:1])c2n1
COCCNC(=S)N1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 COCC[*:1] S=C(N[*:1])N1CC[NH+](CC1)Cc1ccc(Cl)c(Cl)c1
COCCNC(=S)N1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 COC[*:1] S=C(NC[*:1])N1CC[NH+](CC1)Cc1ccc(Cl)c(Cl)c1
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1 COC(=O)[*:1] Cc1ccc(cc1F)NS(=O)(=O)c1ccc(cc1)OC[*:1]
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1 COC(=O)C[*:1] Cc1ccc(cc1F)NS(=O)(=O)c1ccc(cc1)O[*:1]
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1 Cc1ccc(cc1F)[*:1] COC(=O)COc1ccc(cc1)S(=O)(=O)N[*:1]
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1 COC(=O)CO[*:1] Cc1ccc(cc1F)NS(=O)(=O)c1ccc(cc1)[*:1]
C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 C=CC[*:1] C=CCN(C(=O)c1cc(nc2ccccc12)-c1ccc(Cl)cc1)[*:1]
C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 Clc1ccc(cc1)[*:1] C=CCN(CC=C)C(=O)c1cc(nc2ccccc12)[*:1]
CC(=O)Nc1cccc(/C([O-])=N/S(=O)(=O)c2ccc(C)cc2F)c1 CC(=O)N[*:1] Cc1ccc(c(F)c1)S(=O)(=O)/N=C(\[O-])c1cccc(c1)[*:1]
CC(=O)Nc1cccc(/C([O-])=N/S(=O)(=O)c2ccc(C)cc2F)c1 Cc1ccc(c(F)c1)[*:1] CC(=O)Nc1cccc(c1)/C([O-])=N/S(=O)(=O)[*:1]
O=S(=O)([O-])c1ccc(Nc2ccc3ccccc3c2)cc1 O=S(=O)([O-])[*:1] c1ccc2cc(ccc2c1)Nc1ccc(cc1)[*:1]
CC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3ccc(O)cc3)c(=O)n12 CC(=O)[*:1] C[C@@]12N=c3s/c(=C\c4ccc(O)cc4)c(=O)n3[C@@H](c3ccccc3O1)[C@H]2[*:1]
CC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3ccc(O)cc3)c(=O)n12 Oc1ccc(cc1)[*:1] CC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1sc(=C[*:1])c(=O)n12
CN(C)C(=O)c1cc(NC(=O)N(C)CCO)ccc1F OCC[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)N(C)[*:1]
CN(C)C(=O)c1cc(NC(=O)N(C)CCO)ccc1F CN(C)C(=O)[*:1] CN(CCO)C(=O)Nc1ccc(F)c(c1)[*:1]
O=[N+]([O-])c1ccccc1-c1ccc(NC(=S)NC[C@H]2CCCO2)cc1 O=[N+]([O-])[*:1] S=C(NC[C@H]1CCCO1)Nc1ccc(cc1)-c1ccccc1[*:1]
CC(C)[NH2+]CCS[C@@H](C)CCO OCC[*:1] CC(C)[NH2+]CCS[C@@H](C)[*:1]
CC(C)[NH2+]CCS[C@@H](C)CCO CC(C)[*:1] C[C@@H](CCO)SCC[NH2+][*:1]
COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2ccc(OC)c(O)c2)cc1 COc1ccc(cc1O)[*:1] COc1ccc(cc1)-c1coc2c3c(cc(O)c2c1=O)OC(=O)C[C@@H]3[*:1]
COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2ccc(OC)c(O)c2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1O)[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(coc3c21)[*:1]
CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c[nH+]1 Clc1ccc(cc1)[*:1] CN(C)c1ccc(c[nH+]1)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c[nH+]1 CN(C)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[NH+]3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 CC(C)(C)[*:1] Cc1ccc2cc(c(=O)[nH]c2c1)[C@H](c1nnnn1[*:1])[NH+]1CCN(CC1)C(=O)c1ccco1
Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[NH+]3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 c1coc(c1)[*:1] Cc1ccc2cc(c(=O)[nH]c2c1)[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(CC1)C(=O)[*:1]
O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2F)CC1 Clc1ccc(cc1Cl)[*:1] O=C(CSC[*:1])N1CCN(CC1)c1ccccc1F
O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(CC1)[*:1]
CCSC[C@H](C)N(C)C(=O)c1ncccc1C(F)(F)F CCSC[*:1] C[C@H](N(C)C(=O)c1ncccc1C(F)(F)F)[*:1]
CCSC[C@H](C)N(C)C(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] CCSC[C@H](C)N(C)C(=O)c1ncccc1[*:1]
CCSC[C@H](C)N(C)C(=O)c1ncccc1C(F)(F)F CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ncccc1C(F)(F)F
CCc1nn(C)cc1CNC(=O)C(=O)Nc1ccccc1OC(C)C CC(C)[*:1] CCc1nn(C)cc1CNC(=O)C(=O)Nc1ccccc1O[*:1]
CCc1nn(C)cc1CNC(=O)C(=O)Nc1ccccc1OC(C)C CC(C)O[*:1] CCc1nn(C)cc1CNC(=O)C(=O)Nc1ccccc1[*:1]
CCc1nn(C)cc1CNC(=O)C(=O)Nc1ccccc1OC(C)C CCc1nn(C)cc1[*:1] CC(C)Oc1ccccc1NC(=O)C(=O)NC[*:1]
COc1ccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)c(OC)c1 c1ncn(n1)[*:1] COc1ccc(C[NH2+]Cc2ccc(cc2)[*:1])c(c1)OC
Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc(-c2cccnc2)no1 c1cncc(c1)[*:1] Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc(no1)[*:1]
Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc(-c2cccnc2)no1 Cc1noc(C)c1[*:1] CN(Cc1nc(no1)-c1cccnc1)S(=O)(=O)[*:1]
CCCC[C@H](C(=O)[O-])[C@@](C)(O)COC O=C([O-])[*:1] CCCC[C@H]([C@@](C)(O)COC)[*:1]
CCCC[C@H](C(=O)[O-])[C@@](C)(O)COC CCCC[*:1] COC[C@](C)(O)[C@@H](C(=O)[O-])[*:1]
CCCC[C@H](C(=O)[O-])[C@@](C)(O)COC CCC[*:1] COC[C@](C)(O)[C@H](C[*:1])C(=O)[O-]
CCCC[C@H](C(=O)[O-])[C@@](C)(O)COC COC[*:1] CCCC[C@H](C(=O)[O-])[C@@](C)(O)[*:1]
CC(C)(C)n1nc(C(=O)N2CCN(c3ccccc3F)CC2)cc1C1CC1 Fc1ccccc1[*:1] CC(C)(C)n1nc(cc1C1CC1)C(=O)N1CCN(CC1)[*:1]
CC(C)(C)n1nc(C(=O)N2CCN(c3ccccc3F)CC2)cc1C1CC1 CC(C)(C)[*:1] O=C(c1cc(C2CC2)n(n1)[*:1])N1CCN(CC1)c1ccccc1F
CC(C)(C)n1nc(C(=O)N2CCN(c3ccccc3F)CC2)cc1C1CC1 C1CC1[*:1] CC(C)(C)n1nc(cc1[*:1])C(=O)N1CCN(CC1)c1ccccc1F
C[C@H](c1cccc(O)c1)N(C)C(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] C[C@H](c1cccc(O)c1)N(C)C(=O)c1nc(n2ccccc12)[*:1]
C[C@H](c1cccc(O)c1)N(C)C(=O)c1nc(C2CC2)n2ccccc12 Oc1cccc(c1)[*:1] C[C@H](N(C)C(=O)c1nc(C2CC2)n2ccccc12)[*:1]
CCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2OC)CC1 COc1ccccc1[*:1] CCOc1ccccc1N1CCN(CC1)CC(=O)N[*:1]
CCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2OC)CC1 CCOc1ccccc1[*:1] COc1ccccc1NC(=O)CN1CCN(CC1)[*:1]
CCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2OC)CC1 CCO[*:1] COc1ccccc1NC(=O)CN1CCN(CC1)c1ccccc1[*:1]
COc1cccc(C(=O)N[C@H](C#N)C2CCCCC2)n1 C1CCC(CC1)[*:1] COc1cccc(n1)C(=O)N[C@H](C#N)[*:1]
COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](C)Cn1nc(C)cc1C Cc1cc(C)n(C[*:1])n1 COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](C)[*:1]
COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](C)Cn1nc(C)cc1C Cc1cc(C)n(n1)[*:1] COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](C)C[*:1]
Cn1c(CSCc2nc3ccccc3s2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(CSCc2nc3ccccc3s2)nnc1[*:1]
CSC[C@@H](C)NC(=O)NCC(C)(C)c1ccccc1F CSC[*:1] C[C@@H](NC(=O)NCC(C)(C)c1ccccc1F)[*:1]
NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cl)c2F)cc1 NS(=O)(=O)[*:1] O=C(CCc1ccc(cc1)[*:1])Nc1cccc(Cl)c1F
N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COc1ccc([N+](=O)[O-])cc1)CCCC2 O=[N+]([O-])c1ccc(cc1)O[*:1] N#Cc1c2CCCCc2n(C[C@@H]2CCCO2)c1NC(=O)C[*:1]
N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COc1ccc([N+](=O)[O-])cc1)CCCC2 O=[N+]([O-])c1ccc(cc1)[*:1] N#Cc1c2CCCCc2n(C[C@@H]2CCCO2)c1NC(=O)CO[*:1]
N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COc1ccc([N+](=O)[O-])cc1)CCCC2 O=[N+]([O-])[*:1] N#Cc1c2CCCCc2n(C[C@@H]2CCCO2)c1NC(=O)COc1ccc(cc1)[*:1]
CCCNC(=O)C1CCN(c2ccc(SCC(=O)N3CCc4ccccc4C3)nn2)CC1 CCC[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(nn1)SCC(=O)N1CCc2ccccc2C1
CCCNC(=O)C1CCN(c2ccc(SCC(=O)N3CCc4ccccc4C3)nn2)CC1 CCCNC(=O)[*:1] O=C(CSc1ccc(nn1)N1CCC(CC1)[*:1])N1CCc2ccccc2C1
Cc1ccc(Oc2ccccc2)c(NC(=O)C2CC[NH+](C)CC2)c1 c1ccc(cc1)O[*:1] Cc1ccc(c(c1)NC(=O)C1CC[NH+](C)CC1)[*:1]
Cc1ccc(Oc2ccccc2)c(NC(=O)C2CC[NH+](C)CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(O[*:1])c(c1)NC(=O)C1CC[NH+](C)CC1
CCc1ccccc1N/C=C1\C(=O)c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O CCc1ccccc1N[*:1] Cc1ccc(cc1)CN1c2ccccc2C(=O)C(=C[*:1])S1(=O)=O
CCc1ccccc1N/C=C1\C(=O)c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O Cc1ccc(cc1)[*:1] CCc1ccccc1N/C=C1\C(=O)c2ccccc2N(C[*:1])S1(=O)=O
CCc1ccccc1N/C=C1\C(=O)c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O Cc1ccc(cc1)C[*:1] CCc1ccccc1N/C=C1\C(=O)c2ccccc2N(S1(=O)=O)[*:1]
CCc1ccccc1N/C=C1\C(=O)c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O CCc1ccccc1[*:1] Cc1ccc(cc1)CN1c2ccccc2C(=O)/C(=C\N[*:1])S1(=O)=O
O=C(CCSc1nnc(Nc2cccc(F)c2)s1)N1CCc2ccccc21 Fc1cccc(c1)N[*:1] O=C(CCSc1nnc(s1)[*:1])N1CCc2ccccc21
O=C(CCSc1nnc(Nc2cccc(F)c2)s1)N1CCc2ccccc21 Fc1cccc(c1)[*:1] O=C(CCSc1nnc(N[*:1])s1)N1CCc2ccccc21
CC(C)Oc1cccnc1C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)Oc1cccnc1C(=O)N(C)[*:1]
CC(C)Oc1cccnc1C(=O)N(C)c1ccccc1 CC(C)O[*:1] CN(C(=O)c1ncccc1[*:1])c1ccccc1
CC(C)Oc1cccnc1C(=O)N(C)c1ccccc1 CC(C)[*:1] CN(C(=O)c1ncccc1O[*:1])c1ccccc1
CC[NH+](Cc1ncc(Cl)n1C)CC1CCN(c2cccc[nH+]2)CC1 Cn1c(Cl)cnc1[*:1] CC[NH+](CC1CCN(CC1)c1cccc[nH+]1)C[*:1]
CC[NH+](Cc1ncc(Cl)n1C)CC1CCN(c2cccc[nH+]2)CC1 c1ccc([nH+]c1)[*:1] CC[NH+](Cc1ncc(Cl)n1C)CC1CCN(CC1)[*:1]
CC[NH+](Cc1ncc(Cl)n1C)CC1CCN(c2cccc[nH+]2)CC1 Cn1c(Cl)cnc1C[*:1] CC[NH+](CC1CCN(CC1)c1cccc[nH+]1)[*:1]
C[C@](O)(CNC(=O)CCn1cnc2ccccc21)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNC(=O)CCn1cnc2ccccc21)[*:1]
CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(cc2[nH]c1=O)OC)[*:1]
CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCc2ccccc21 CCC(C)(C)[*:1] COc1ccc2cc(c(=O)[nH]c2c1)[C@@H](c1nnnn1[*:1])N1CCc2ccccc21
CCN(Cc1ccccn1)C(=O)C1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] CCN(Cc1ccccn1)C(=O)C1CCC(CC1)[*:1]
CCN(Cc1ccccn1)C(=O)C1CCC(C(=O)[O-])CC1 c1ccc(C[*:1])nc1 CCN(C(=O)C1CCC(CC1)C(=O)[O-])[*:1]
CCN(Cc1ccccn1)C(=O)C1CCC(C(=O)[O-])CC1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)C1CCC(CC1)C(=O)[O-]
Cc1ccccc1-n1cc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cn1 c1cc2OCOc2cc1[*:1] Cc1ccccc1-n1cc(cn1)C[NH2+]Cc1c[nH]nc1[*:1]
Cc1ccccc1-n1cc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cn1 Cc1ccccc1[*:1] c1nn(cc1C[NH2+]Cc1c[nH]nc1-c1ccc2OCOc2c1)[*:1]
CCN(Cc1cnn(C)c1)C(=O)c1cc(C)nc2c1c(C)nn2C Cn1cc(cn1)[*:1] CCN(C[*:1])C(=O)c1cc(C)nc2c1c(C)nn2C
CCN(Cc1cnn(C)c1)C(=O)c1cc(C)nc2c1c(C)nn2C Cn1cc(cn1)C[*:1] CCN(C(=O)c1cc(C)nc2c1c(C)nn2C)[*:1]
CCOc1ccccc1C(=O)N1C[C@@H](C)c2ccccc21 CCO[*:1] C[C@@H]1CN(C(=O)c2ccccc2[*:1])c2ccccc21
N#C[C@H](OC(=O)COc1ccc(I)cc1)C1CC1 C1CC1[*:1] N#C[C@H](OC(=O)COc1ccc(I)cc1)[*:1]
C/[NH+]=C(/NCCc1ccc(C)nc1)N1CC[C@@H]([N+]2=CCCC2)C1 Cc1ccc(cn1)[*:1] C/[NH+]=C(/NCC[*:1])N1CC[C@H](C1)[N+]1=CCCC1
O=C(c1n[nH]c2ccccc12)N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(c1n[nH]c2ccccc12)N1CC[C@@](O)(C1)[*:1]
CCOc1ccc(NC(=O)N(C[C@@H](O)c2ccccc2)C2CC2)cc1F C1CC1[*:1] CCOc1ccc(cc1F)NC(=O)N(C[C@@H](O)c1ccccc1)[*:1]
CCOc1ccc(NC(=O)N(C[C@@H](O)c2ccccc2)C2CC2)cc1F c1ccc(cc1)[*:1] CCOc1ccc(cc1F)NC(=O)N(C[C@@H](O)[*:1])C1CC1
CCOc1ccc(NC(=O)N(C[C@@H](O)c2ccccc2)C2CC2)cc1F CCO[*:1] O=C(Nc1ccc(c(F)c1)[*:1])N(C[C@@H](O)c1ccccc1)C1CC1
CCOc1ccc(NC(=O)N(C[C@@H](O)c2ccccc2)C2CC2)cc1F O[C@@H](c1ccccc1)[*:1] CCOc1ccc(cc1F)NC(=O)N(C[*:1])C1CC1
COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1OC Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1OC)CCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1F
S=C(NCc1cccnc1)Nc1ccccc1Cl c1cncc(c1)[*:1] S=C(NC[*:1])Nc1ccccc1Cl
O=C([O-])c1cc(OCC2CCCC2)c2ccoc2c1 C1CCC(C1)C[*:1] O=C([O-])c1cc(O[*:1])c2ccoc2c1
O=C([O-])c1cc(OCC2CCCC2)c2ccoc2c1 O=C([O-])[*:1] c1cc2c(cc(cc2o1)[*:1])OCC1CCCC1
O=C([O-])c1cc(OCC2CCCC2)c2ccoc2c1 C1CCC(C1)[*:1] O=C([O-])c1cc(OC[*:1])c2ccoc2c1
COc1ccc(Br)cc1CNC(=O)NCC(C)(C)CCO CC(C)(CCO)C[*:1] COc1ccc(Br)cc1CNC(=O)N[*:1]
COc1ccc(Br)cc1CNC(=O)NCC(C)(C)CCO CC(C)(CCO)[*:1] COc1ccc(Br)cc1CNC(=O)NC[*:1]
COc1ccc(Br)cc1CNC(=O)NCC(C)(C)CCO OCC[*:1] COc1ccc(Br)cc1CNC(=O)NCC(C)(C)[*:1]
O=C(Nc1cccc(Oc2ncccn2)c1)c1cc(-c2cccc(Cl)c2)on1 Clc1cccc(c1)[*:1] O=C(Nc1cccc(c1)Oc1ncccn1)c1cc(on1)[*:1]
O=C(Nc1cccc(Oc2ncccn2)c1)c1cc(-c2cccc(Cl)c2)on1 c1cnc(nc1)[*:1] O=C(Nc1cccc(c1)O[*:1])c1cc(on1)-c1cccc(Cl)c1
O=C(Nc1cccc(Oc2ncccn2)c1)c1cc(-c2cccc(Cl)c2)on1 c1cnc(nc1)O[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(on1)-c1cccc(Cl)c1
C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F CC(C)(C)[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F Fc1ccc(c(F)c1F)[*:1] C[C@@H](Sc1nc(n[nH]1)C(C)(C)C)C(=O)NCC(=O)N[*:1]
Cc1cccc(Cn2ncnc2CCCn2cncn2)c1 c1ncn(C[*:1])n1 Cc1cccc(c1)Cn1ncnc1CC[*:1]
Cc1cccc(Cn2ncnc2CCCn2cncn2)c1 Cc1cccc(c1)[*:1] c1ncn(CCCc2ncnn2C[*:1])n1
Cc1cccc(Cn2ncnc2CCCn2cncn2)c1 c1ncn(CC[*:1])n1 Cc1cccc(c1)Cn1ncnc1C[*:1]
Cc1cccc(Cn2ncnc2CCCn2cncn2)c1 c1ncn(n1)[*:1] Cc1cccc(c1)Cn1ncnc1CCC[*:1]
COc1cccc(N2CCN(C(=O)Cc3csc(NC(=O)[C@H]4CCC(=O)N4)n3)CC2)c1 COc1cccc(c1)[*:1] O=C1CC[C@@H](N1)C(=O)Nc1nc(cs1)CC(=O)N1CCN(CC1)[*:1]
C#Cc1cccc(NC(=S)NNC(=O)c2nnn(-c3ccc(F)cc3)c2C)c1 C#Cc1cccc(c1)[*:1] Cc1c(nnn1-c1ccc(F)cc1)C(=O)NNC(=S)N[*:1]
C#Cc1cccc(NC(=S)NNC(=O)c2nnn(-c3ccc(F)cc3)c2C)c1 Fc1ccc(cc1)[*:1] C#Cc1cccc(c1)NC(=S)NNC(=O)c1nnn(c1C)[*:1]
Cc1cc(CNC(=S)NCCc2ccccc2)nn1C c1ccc(cc1)[*:1] Cc1cc(CNC(=S)NCC[*:1])nn1C
CNC(=O)[C@@H](NC(=O)Cn1ccnc1)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@@H](NC(=O)Cn1ccnc1)[*:1]
CNC(=O)[C@@H](NC(=O)Cn1ccnc1)c1ccccc1 CNC(=O)[*:1] O=C(Cn1ccnc1)N[C@@H](c1ccccc1)[*:1]
CNC(=O)[C@@H](NC(=O)Cn1ccnc1)c1ccccc1 c1cn(cn1)C[*:1] CNC(=O)[C@@H](NC(=O)[*:1])c1ccccc1
CNC(=O)[C@@H](NC(=O)Cn1ccnc1)c1ccccc1 c1cn(cn1)[*:1] CNC(=O)[C@@H](NC(=O)C[*:1])c1ccccc1
CCOc1ccc(C2=NN=C[C@H]2CN2CCC[C@@H]2[C@@H]2C=C(C(C)C)ON2)cc1 CC(C)[*:1] CCOc1ccc(cc1)C1=NN=C[C@H]1CN1CCC[C@@H]1[C@@H]1C=C(ON1)[*:1]
CCOc1ccc(C2=NN=C[C@H]2CN2CCC[C@@H]2[C@@H]2C=C(C(C)C)ON2)cc1 CCOc1ccc(cc1)[*:1] CC(C)C1=C[C@H](NO1)[C@H]1CCCN1C[C@@H]1C=NN=C1[*:1]
CCOc1ccc(C2=NN=C[C@H]2CN2CCC[C@@H]2[C@@H]2C=C(C(C)C)ON2)cc1 CCO[*:1] CC(C)C1=C[C@H](NO1)[C@H]1CCCN1C[C@@H]1C=NN=C1c1ccc(cc1)[*:1]
O=[N+]([O-])c1cccc(C[NH2+]C2CCCC2)c1 C1CCC(C1)[*:1] O=[N+]([O-])c1cccc(c1)C[NH2+][*:1]
O=[N+]([O-])c1cccc(C[NH2+]C2CCCC2)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])C[NH2+]C1CCCC1
O=C(Cn1c(C(=O)[O-])cc2ccccc21)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] O=C(Cn1c(cc2ccccc21)[*:1])Nc1ccc(cc1)C(=O)[O-]
O=C(Cn1c(C(=O)[O-])cc2ccccc21)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] O=C(Cn1c(cc2ccccc21)C(=O)[O-])Nc1ccc(cc1)[*:1]
O=C(C[NH+]1CCc2cncnc2C1)N1CCC(c2ccccc2)=N1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCc2cncnc2C1)N1CCC(=N1)[*:1]
Cn1cc(C(N)=O)cc1C(=O)Nc1cccc(Oc2ccccn2)c1 c1ccc(nc1)O[*:1] Cn1cc(cc1C(=O)Nc1cccc(c1)[*:1])C(N)=O
Cn1cc(C(N)=O)cc1C(=O)Nc1cccc(Oc2ccccn2)c1 c1ccc(nc1)[*:1] Cn1cc(cc1C(=O)Nc1cccc(c1)O[*:1])C(N)=O
Cn1cc(C(N)=O)cc1C(=O)Nc1cccc(Oc2ccccn2)c1 NC(=O)[*:1] Cn1cc(cc1C(=O)Nc1cccc(c1)Oc1ccccn1)[*:1]
C[C@@H](CNC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)/C=C/c1ccc2OCOc2c1)[*:1]
O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccccc1Br Brc1ccccc1[*:1] O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1[*:1]
COc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3ccc(Br)cc3F)S2(=O)=O)cc1 COc1ccc(cc1)[*:1] CC1C(=O)N(CC(=O)Nc2ccc(Br)cc2F)S(=O)(=O)C=1[*:1]
COc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3ccc(Br)cc3F)S2(=O)=O)cc1 Fc1cc(Br)ccc1[*:1] COc1ccc(cc1)C1=C(C)C(=O)N(CC(=O)N[*:1])S1(=O)=O
COc1ccc(-c2cnnc(N3CCCC[C@@H]3CC[NH+]3CCOCC3)n2)cc1 COc1ccc(cc1)[*:1] c1nnc(nc1[*:1])N1CCCC[C@@H]1CC[NH+]1CCOCC1
Cn1c(Sc2ccc([N+](=O)[O-])cc2C#N)nc2ccccc2c1=O O=[N+]([O-])[*:1] Cn1c(nc2ccccc2c1=O)Sc1ccc(cc1C#N)[*:1]
Cc1ccc(NC(=O)Cn2c(C[NH+]3CCCCC3)nc3sc4c(c3c2=O)CCCC4)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1c(C[NH+]2CCCCC2)nc2sc3CCCCc3c2c1=O)N[*:1]
Cc1ccc(NC(=O)Cn2c(C[NH+]3CCCCC3)nc3sc4c(c3c2=O)CCCC4)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=c1c2c3CCCCc3sc2nc(C[NH+]2CCCCC2)n1C[*:1]
COc1ccc([C@H]([NH2+]Cc2coc3ccccc23)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H]([NH2+]Cc1coc2ccccc12)[*:1]
COc1ccc([C@H]([NH2+]Cc2coc3ccccc23)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] c1ccc2c(coc2c1)C[NH2+][C@H](C1CCOCC1)[*:1]
O=C1CC[C@@](CCC(=O)N2CCC[C@H]2c2ccc(F)cc2)(Cc2ccc(F)cc2)N1 Fc1ccc(cc1)C[*:1] O=C1CC[C@@](CCC(=O)N2CCC[C@H]2c2ccc(F)cc2)(N1)[*:1]
O=C1CC[C@@](CCC(=O)N2CCC[C@H]2c2ccc(F)cc2)(Cc2ccc(F)cc2)N1 Fc1ccc(cc1)[*:1] O=C1CC[C@@](CCC(=O)N2CCC[C@@H]2[*:1])(Cc2ccc(F)cc2)N1
O=C1CC[C@@](CCC(=O)N2CCC[C@H]2c2ccc(F)cc2)(Cc2ccc(F)cc2)N1 Fc1ccc(cc1)[*:1] O=C1CC[C@@](CCC(=O)N2CCC[C@H]2c2ccc(F)cc2)(C[*:1])N1
C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@@H](c1cccs1)N1CCOCC1 Clc1ccccc1C[*:1] C[C@H](NC(=O)C(=O)N[*:1])[C@@H](c1cccs1)N1CCOCC1
C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@@H](c1cccs1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@@H](c1cccs1)[*:1]
C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@@H](c1cccs1)N1CCOCC1 c1csc(c1)[*:1] C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@@H](N1CCOCC1)[*:1]
C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)[C@@H](c1cccs1)N1CCOCC1 Clc1ccccc1[*:1] C[C@H](NC(=O)C(=O)NC[*:1])[C@@H](c1cccs1)N1CCOCC1
CC[C@@H](C)C[NH2+]CCOc1cccc(F)c1 CC[C@@H](C)[*:1] Fc1cccc(c1)OCC[NH2+]C[*:1]
O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1cccc(c1)[*:1]
CCc1noc(CC)c1CNC(=O)/C=C(/C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1noc(CC)c1CNC(=O)C=C(C)[*:1]
Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)c1csc(C(C)C)n1 CC(C)[*:1] Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)c1csc(n1)[*:1]
CC(C)(NC(=O)c1cccc(OCC(F)F)n1)c1nccs1 FC(F)CO[*:1] CC(C)(NC(=O)c1cccc(n1)[*:1])c1nccs1
CC(C)(NC(=O)c1cccc(OCC(F)F)n1)c1nccs1 FC(F)C[*:1] CC(C)(NC(=O)c1cccc(n1)O[*:1])c1nccs1
CC(C)(NC(=O)c1cccc(OCC(F)F)n1)c1nccs1 FC(F)[*:1] CC(C)(NC(=O)c1cccc(n1)OC[*:1])c1nccs1
CC(C)(NC(=O)c1cccc(OCC(F)F)n1)c1nccs1 c1csc(n1)[*:1] CC(C)(NC(=O)c1cccc(n1)OCC(F)F)[*:1]
CN(CCS(C)(=O)=O)C(=O)c1cc2cc(N)ccc2o1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)c1cc2cc(N)ccc2o1
CN(CCS(C)(=O)=O)C(=O)c1cc2cc(N)ccc2o1 CS(=O)(=O)CC[*:1] CN(C(=O)c1cc2cc(N)ccc2o1)[*:1]
CN(CCS(C)(=O)=O)C(=O)c1cc2cc(N)ccc2o1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)c1cc2cc(N)ccc2o1
C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ccccc1F Fc1ccccc1[*:1] C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)C[*:1]
C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ccccc1F c1ccc(cc1)[*:1] C[C@H](C(=O)N(C)[*:1])S(=O)(=O)Cc1ccccc1F
COC(=O)c1ccsc1NC(=O)C(=O)N(C)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COC(=O)c1ccsc1NC(=O)C(=O)N(C)[*:1]
COC(=O)c1ccsc1NC(=O)C(=O)N(C)Cc1ccc(F)cc1 COC(=O)[*:1] CN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1sccc1[*:1]
COC(=O)c1ccsc1NC(=O)C(=O)N(C)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccsc1NC(=O)C(=O)N(C)C[*:1]
COC(=O)C1=C(C)N=C2SC[C@@](O)(N(c3ccccc3)C(C)C)N2[C@H]1c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@H]1C(=C(C)N=C2SC[C@@](O)(N(c3ccccc3)C(C)C)N21)[*:1]
COC(=O)C1=C(C)N=C2SC[C@@](O)(N(c3ccccc3)C(C)C)N2[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)C1=C(C)N=C2SC[C@@](O)(N(c3ccccc3)C(C)C)N2[C@@H]1[*:1]
COC(=O)C1=C(C)N=C2SC[C@@](O)(N(c3ccccc3)C(C)C)N2[C@H]1c1ccc(OC)cc1 CC(C)[*:1] COC(=O)C1=C(C)N=C2SC[C@](O)(N2[C@H]1c1ccc(cc1)OC)N(c1ccccc1)[*:1]
COC(=O)C1=C(C)N=C2SC[C@@](O)(N(c3ccccc3)C(C)C)N2[C@H]1c1ccc(OC)cc1 c1ccc(cc1)[*:1] COC(=O)C1=C(C)N=C2SC[C@](O)(N2[C@H]1c1ccc(cc1)OC)N(C(C)C)[*:1]
COC(=O)C1=C(C)N=C2SC[C@@](O)(N(c3ccccc3)C(C)C)N2[C@H]1c1ccc(OC)cc1 CC(C)N(c1ccccc1)[*:1] COC(=O)C1=C(C)N=C2SC[C@@](O)(N2[C@H]1c1ccc(cc1)OC)[*:1]
Cc1cccc(NC(=O)NCCNc2ncccc2C(F)(F)F)c1C FC(F)(F)[*:1] Cc1cccc(NC(=O)NCCNc2ncccc2[*:1])c1C
Cc1cccc(NC(=O)NCCNc2ncccc2C(F)(F)F)c1C Cc1cccc(c1C)[*:1] O=C(NCCNc1ncccc1C(F)(F)F)N[*:1]
CS(=O)(=O)[N-]c1ccc(C(=O)OCc2csc(-c3ccccc3Cl)n2)cc1 Clc1ccccc1[*:1] CS(=O)(=O)[N-]c1ccc(cc1)C(=O)OCc1csc(n1)[*:1]
ClC[C@H](Nc1ccc2nccnc2n1)c1ccccc1 c1ccc(cc1)[*:1] ClC[C@H](Nc1ccc2nccnc2n1)[*:1]
Cc1n[nH]c(C)c1NC(=O)c1ccc(N2CCCC2)c(F)c1 C1CCN(C1)[*:1] Cc1n[nH]c(C)c1NC(=O)c1ccc(c(F)c1)[*:1]
Cc1n[nH]c(C)c1NC(=O)c1ccc(N2CCCC2)c(F)c1 Cc1n[nH]c(C)c1[*:1] O=C(N[*:1])c1ccc(c(F)c1)N1CCCC1
C[C@@H]1C[C@H](NC(=O)Cc2n[nH]c3ccccc23)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](NC(=O)Cc2n[nH]c3ccccc23)C(=O)N1[*:1]
CC(C)([C@@H](O)c1ccc(Br)cc1)[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)([C@@H](O)c1ccc(Br)cc1)[*:1]
O=C(COc1ccc(Cl)cc1Cl)N/N=C/C=C/c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(COc1ccc(Cl)cc1Cl)N/N=C/C=C/c1ccc(o1)[*:1]
O=C(COc1ccc(Cl)cc1Cl)N/N=C/C=C/c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(COc1ccc(Cl)cc1Cl)N/N=C/C=C[*:1]
O=C(COc1ccc(Cl)cc1Cl)N/N=C/C=C/c1ccc([N+](=O)[O-])o1 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])N/N=C/C=C/c1ccc(o1)[N+](=O)[O-]
Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(OCC(=O)N[C@@H](C)[*:1])c(C)c1
CC[C@@H]1CCCCN1C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 O=C(N[*:1])c1ccccc1 CC[C@@H]1CCCCN1C(=O)C[C@H](c1ccccc1)[*:1]
CC[C@@H]1CCCCN1C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)C[C@H](NC(=O)c1ccccc1)[*:1]
CC[C@@H]1CCCCN1C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)C[C@H](NC(=O)[*:1])c1ccccc1
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 O=[N+]([O-])[*:1] O=C(c1ccc(Cl)c(c1)[*:1])N1CCN(CC1)S(=O)(=O)c1cc(F)ccc1F
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 Fc1ccc(F)c(c1)[*:1] O=C(c1ccc(Cl)c(c1)[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)[C@H](C)NC(=O)c1ccc(OC)cc1 CCOC(=O)[*:1] COc1ccc(cc1)C(=O)N[C@@H](C)[*:1]
CCN(Cc1ccccn1)C(=O)[C@H]([NH3+])CCC(=O)[O-] O=C([O-])C[*:1] CCN(Cc1ccccn1)C(=O)[C@H]([NH3+])C[*:1]
CCN(Cc1ccccn1)C(=O)[C@H]([NH3+])CCC(=O)[O-] c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)[C@H]([NH3+])CCC(=O)[O-]
CCN(Cc1ccccn1)C(=O)[C@H]([NH3+])CCC(=O)[O-] O=C([O-])[*:1] CCN(Cc1ccccn1)C(=O)[C@H]([NH3+])CC[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC(Cn2c(C)nc3ccccc32)CC1 Cc1noc(C)c1[*:1] Cc1nc2ccccc2n1CC1CCN(CC1)S(=O)(=O)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)cc1 CC[C@@H](C)C[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@@H](C)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)cc1 CC[C@@H](C)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@@H](C)C[*:1]
CC[C@@H](CS)CSc1ccc(C)c(C)c1 CC[C@@H](CS)[*:1] Cc1ccc(cc1C)SC[*:1]
Cc1cccnc1C1(O)CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1cccnc1C1(O)CCN(CC1)C(=O)C[*:1]
Cc1cccnc1C1(O)CCN(C(=O)Cc2ccccc2F)CC1 Cc1cccnc1[*:1] O=C(Cc1ccccc1F)N1CCC(O)(CC1)[*:1]
Cc1cccnc1C1(O)CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] Cc1cccnc1C1(O)CCN(CC1)C(=O)[*:1]
Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc12 N#Cc1ccc(cc1)[*:1] Cc1c(Cl)ccc2sc(nc12)N(Cc1ccccn1)C(=O)[*:1]
Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc12 c1ccc(nc1)[*:1] Cc1c(Cl)ccc2sc(nc12)N(C[*:1])C(=O)c1ccc(C#N)cc1
Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc12 c1ccc(C[*:1])nc1 Cc1c(Cl)ccc2sc(nc12)N(C(=O)c1ccc(C#N)cc1)[*:1]
CCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 c1ccc(cc1)[*:1] CCNC(=O)c1cc(c(s1)N1CCOCC1)[*:1]
CCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 C1CN(CCO1)[*:1] CCNC(=O)c1cc(-c2ccccc2)c(s1)[*:1]
CCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 CCNC(=O)[*:1] c1ccc(cc1)-c1cc(sc1N1CCOCC1)[*:1]
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(CCC#N)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(CCC#N)[*:1]
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(CCC#N)c1ccccc1 N#CC[*:1] C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(C[*:1])c1ccccc1
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(CCC#N)c1ccccc1 O=[N+]([O-])[*:1] C[C@@H](Oc1cccnc1[*:1])C(=O)N(CCC#N)c1ccccc1
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(CCC#N)c1ccccc1 N#CCC[*:1] C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(c1ccccc1)[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@H](C)Cc3ccsc3)C2)n1 C[C@H](Cc1ccsc1)[*:1] Cc1cccc(n1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@H](C)Cc3ccsc3)C2)n1 c1cc(cs1)[*:1] Cc1cccc(n1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[C@H](C)C[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@H](C)Cc3ccsc3)C2)n1 Cc1cccc(n1)[*:1] C[C@H](Cc1ccsc1)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@H](C)Cc3ccsc3)C2)n1 c1cc(cs1)C[*:1] Cc1cccc(n1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
CO[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(OC)c1C(=O)CC1OCCO1 C1COC(O1)[*:1] COc1cccc(OC)c1C(=O)C[*:1]
COc1cccc(OC)c1C(=O)CC1OCCO1 C1COC(C[*:1])O1 COc1cccc(OC)c1C(=O)[*:1]
C#CCN(CC#C)C(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 C#CC[*:1] C#CCN(C(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)[*:1]
C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NS(=O)(=O)c1ccc2OCCOc2c1)[*:1]
COc1ccc(S(=O)(=O)Oc2cccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)c2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)Oc1cccc(/C=C2/N=C(OC2=O)[*:1])c1
COc1ccc(S(=O)(=O)Oc2cccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)c2)cc1 COc1ccc(cc1)[*:1] O=C1OC(=N/C1=C/c1cccc(c1)OS(=O)(=O)[*:1])c1ccc(Cl)cc1
CC(C)CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC(C)CC(C)(C)C(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC(C)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)C(C)(C)C[*:1]
CC(C)CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC(C)CC(C)(C)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)[*:1]
CC(C)CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC(C)C[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)C(C)(C)[*:1]
CCOc1ccc(C(=O)C[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)cc1 CCO[*:1] CC(C)N1C(=O)[C@](O)(CC(=O)c2ccc(cc2)[*:1])c2ccccc21
CCOc1ccc(C(=O)C[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)cc1 CC(C)[*:1] CCOc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(c2ccccc21)[*:1]
O=C1C(=O)N(Cc2ccc(Br)s2)C(=O)N1Cc1ccccc1 Brc1ccc(s1)[*:1] O=C1C(=O)N(C[*:1])C(=O)N1Cc1ccccc1
O=C1C(=O)N(Cc2ccc(Br)s2)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C(=O)N(C[*:1])C(=O)N1Cc1ccc(Br)s1
O=C1C(=O)N(Cc2ccc(Br)s2)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1C(=O)N(C(=O)N1Cc1ccc(Br)s1)[*:1]
O=C1C(=O)N(Cc2ccc(Br)s2)C(=O)N1Cc1ccccc1 Brc1ccc(C[*:1])s1 O=C1C(=O)N(C(=O)N1Cc1ccccc1)[*:1]
Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1Cl O=C([O-])[*:1] Cc1ccc(cc1Cl)NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
COc1ccc(F)c(-c2nc(Cn3cc(CCO)cn3)c(C)o2)c1 OCC[*:1] COc1ccc(F)c(c1)-c1nc(Cn2cc(cn2)[*:1])c(C)o1
COc1ccc(F)c(-c2nc(Cn3cc(CCO)cn3)c(C)o2)c1 OCCc1cnn(c1)[*:1] COc1ccc(F)c(c1)-c1nc(C[*:1])c(C)o1
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(O)cc2)cc1OC COc1ccc(cc1OC)[*:1] CC1NC2C[C@H](CC(=O)C=2[C@@H](C=1C(=O)OC(C)C)c1ccc(O)cc1)[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(O)cc2)cc1OC Oc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(O)cc2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)O[*:1])[C@H]2c1ccc(O)cc1
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(O)cc2)cc1OC CC(C)OC(=O)[*:1] COc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)NC(C)=C([C@H]2c1ccc(O)cc1)[*:1]
Cc1oc2ncnc(N3CCC[C@@H](C(=O)N(C)Cc4ccccc4)C3)c2c1C c1ccc(cc1)C[*:1] Cc1oc2ncnc(c2c1C)N1CCC[C@H](C1)C(=O)N(C)[*:1]
Cc1oc2ncnc(N3CCC[C@@H](C(=O)N(C)Cc4ccccc4)C3)c2c1C c1ccc(cc1)[*:1] Cc1oc2ncnc(c2c1C)N1CCC[C@H](C1)C(=O)N(C)C[*:1]
C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)[C@@H]1CCCO1 O=C([O-])[*:1] C[C@H](NC(=O)N1CC[C@H]([C@@H]1C)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H]1[C@H](CCN1C(=O)N[C@@H](C)[*:1])C(=O)[O-]
CCNC(=O)Nc1cccc(NC(=O)C[C@@H](C)c2cccc(OC)c2)c1 COc1cccc(c1)[*:1] CCNC(=O)Nc1cccc(c1)NC(=O)C[C@@H](C)[*:1]
CCNC(=O)Nc1cccc(NC(=O)C[C@@H](C)c2cccc(OC)c2)c1 CCNC(=O)N[*:1] COc1cccc(c1)[C@H](C)CC(=O)Nc1cccc(c1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)CNC(=O)CC(C)(C)C Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)CNC(=O)CC(C)(C)C
CCN(Cc1cccc(C)c1)C(=O)CNC(=O)CC(C)(C)C CC(C)(C)[*:1] CCN(Cc1cccc(C)c1)C(=O)CNC(=O)C[*:1]
CCN(Cc1cccc(C)c1)C(=O)CNC(=O)CC(C)(C)C CC(C)(C)C[*:1] CCN(Cc1cccc(C)c1)C(=O)CNC(=O)[*:1]
Cc1cc(C)cc(N2CC[C@H](C(=O)NCC3(O)CCSCC3)C2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCC1(O)CCSCC1)[C@H]1CCN(C1=O)[*:1]
Cc1cc(C)cc(N2CC[C@H](C(=O)NCC3(O)CCSCC3)C2=O)c1 OC1(CCSCC1)[*:1] Cc1cc(C)cc(c1)N1CC[C@H](C(=O)NC[*:1])C1=O
Cc1cc(C)cc(N2CC[C@H](C(=O)NCC3(O)CCSCC3)C2=O)c1 OC1(CCSCC1)C[*:1] Cc1cc(C)cc(c1)N1CC[C@H](C(=O)N[*:1])C1=O
CCNC(=O)C[NH+](CC)Cc1cccc(Cl)n1 CCNC(=O)[*:1] CC[NH+](Cc1cccc(Cl)n1)C[*:1]
COc1ccc(F)cc1CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc(F)cc1CN1CC[NH+](CC1)CC(=O)NC[*:1]
COc1ccc(F)cc1CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 COc1ccc(F)cc1[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])NCc1ccccc1
COc1ccc(F)cc1CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccc(F)cc1CN1CC[NH+](CC1)CC(=O)N[*:1]
C[C@H](NC(=O)N1CCC[C@H](CCO)C1)c1ccc(Cl)c(Cl)c1 OCC[*:1] C[C@H](NC(=O)N1CCC[C@H](C1)[*:1])c1ccc(Cl)c(Cl)c1
N/C(=N\C(=O)c1ccc(Cl)cc1)NCc1ccco1 c1coc(c1)C[*:1] N/C(=N\C(=O)c1ccc(Cl)cc1)N[*:1]
N/C(=N\C(=O)c1ccc(Cl)cc1)NCc1ccco1 c1coc(c1)[*:1] N/C(=N\C(=O)c1ccc(Cl)cc1)NC[*:1]
O=C(NCCc1ccccc1)c1ccccc1-n1cnnn1 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1ccccc1-n1cnnn1
O=C(NCCc1ccccc1)c1ccccc1-n1cnnn1 c1nnnn1[*:1] O=C(NCCc1ccccc1)c1ccccc1[*:1]
O=C(NCCc1ccccc1)c1ccccc1-n1cnnn1 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1ccccc1-n1cnnn1
C[NH+](C)CCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccs2)C1 c1csc(c1)[*:1] C[NH+](C)CCNC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CC1(C)CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCS1 C1CCN(CC1)[*:1] CC1(C)CN(CCS1)C(=O)NCc1cc[nH+]c(c1)[*:1]
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C)OCC1(C)C CC(C)(C)[*:1] CC[C@@H](NC(=O)O[*:1])C(=O)N1C[C@@H](C)OCC1(C)C
O=C(CCCn1ccnn1)NC1(c2ccccc2)CCC1 c1cn(CC[*:1])nn1 O=C(C[*:1])NC1(CCC1)c1ccccc1
O=C(CCCn1ccnn1)NC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(CCCn1ccnn1)NC1(CCC1)[*:1]
O=C(CCCn1ccnn1)NC1(c2ccccc2)CCC1 c1cn(C[*:1])nn1 O=C(CC[*:1])NC1(CCC1)c1ccccc1
O=C(CCCn1ccnn1)NC1(c2ccccc2)CCC1 c1cn(nn1)[*:1] O=C(CCC[*:1])NC1(CCC1)c1ccccc1
O=C1CCCN1CC[C@H]1CCCCN1C(=O)NCCc1ccccc1F O=C1CCCN1CC[*:1] O=C(NCCc1ccccc1F)N1CCCC[C@@H]1[*:1]
O=C1CCCN1CC[C@H]1CCCCN1C(=O)NCCc1ccccc1F Fc1ccccc1C[*:1] O=C1CCCN1CC[C@H]1CCCCN1C(=O)NC[*:1]
O=C1CCCN1CC[C@H]1CCCCN1C(=O)NCCc1ccccc1F O=C1CCCN1[*:1] O=C(NCCc1ccccc1F)N1CCCC[C@@H]1CC[*:1]
O=C1CCCN1CC[C@H]1CCCCN1C(=O)NCCc1ccccc1F O=C1CCCN1C[*:1] O=C(NCCc1ccccc1F)N1CCCC[C@@H]1C[*:1]
O=C1CCCN1CC[C@H]1CCCCN1C(=O)NCCc1ccccc1F Fc1ccccc1[*:1] O=C1CCCN1CC[C@H]1CCCCN1C(=O)NCC[*:1]
O=C(CCn1cncn1)NCc1ccccc1Sc1ccccc1 c1ncn(C[*:1])n1 O=C(C[*:1])NCc1ccccc1Sc1ccccc1
O=C(CCn1cncn1)NCc1ccccc1Sc1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1cncn1)NCc1ccccc1S[*:1]
O=C(CCn1cncn1)NCc1ccccc1Sc1ccccc1 c1ncn(n1)[*:1] O=C(CC[*:1])NCc1ccccc1Sc1ccccc1
O=C(CCn1cncn1)NCc1ccccc1Sc1ccccc1 c1ncn(CC[*:1])n1 O=C(NCc1ccccc1Sc1ccccc1)[*:1]
O=C(CCn1cncn1)NCc1ccccc1Sc1ccccc1 c1ccc(cc1)S[*:1] O=C(CCn1cncn1)NCc1ccccc1[*:1]
COCCCNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 Fc1ccc(cc1)[*:1] COCCCNC(=O)C1C[C@@H](C(N)=O)N(N=1)[*:1]
COCCCNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 COCC[*:1] NC(=O)[C@@H]1CC(=NN1c1ccc(F)cc1)C(=O)NC[*:1]
COCCCNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 COC[*:1] NC(=O)[C@@H]1CC(=NN1c1ccc(F)cc1)C(=O)NCC[*:1]
COCCCNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 COCCC[*:1] NC(=O)[C@@H]1CC(=NN1c1ccc(F)cc1)C(=O)N[*:1]
COCCCNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 NC(=O)[*:1] COCCCNC(=O)C1C[C@@H](N(N=1)c1ccc(F)cc1)[*:1]
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCO OCC[*:1] O=C1c2cccc3cc(cc(C(=O)N1C[*:1])c23)[N+](=O)[O-]
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCO O=[N+]([O-])[*:1] O=C1c2cccc3cc(cc(C(=O)N1CCCO)c23)[*:1]
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCO OCCC[*:1] O=C1c2cccc3cc(cc(C(=O)N1[*:1])c23)[N+](=O)[O-]
O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)NC(c1ccccc1)c1ccccc1 C1CC1[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)[*:1])NC(c1ccccc1)c1ccccc1
O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)C1CC1)NC(c1ccccc1)[*:1]
CN(CC1CCC1)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CN(CC1CCC1)C(=O)NC[C@@H]1CCCN(C1)[*:1]
CN(CC1CCC1)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 C1CC(C1)[*:1] CN(C[*:1])C(=O)NC[C@@H]1CCCN(C1)c1ncccn1
CN(CC1CCC1)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 C1CC(C1)C[*:1] CN(C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
COc1cccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cccs2)c1 c1csc(c1)[*:1] COc1cccc(c1)N1C(=O)[C@@H]([C@H]1[*:1])N1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-]
COc1cccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cccs2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)N1C(=O)[C@@H]([C@@H]1c1cccs1)N1C(=O)c2ccc(cc2C1=O)[*:1]
COc1cccc(N2C(=O)[C@H](N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cccs2)c1 COc1cccc(c1)[*:1] O=C1c2ccc(cc2C(=O)N1[C@H]1C(=O)N([C@H]1c1cccs1)[*:1])[N+](=O)[O-]
CC(C)NC(=O)c1ccc(CNC(=O)c2cc3cccnn3n2)cc1 CC(C)NC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc2cccnn2n1
CC(C)NC(=O)c1ccc(CNC(=O)c2cc3cccnn3n2)cc1 CC(C)[*:1] O=C(N[*:1])c1ccc(cc1)CNC(=O)c1cc2cccnn2n1
COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cn2)cc1OC Fc1ccc(nc1)[*:1] COc1ccc(cc1OC)[C@H](C)[NH2+][C@H](C)[*:1]
CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2CN2CCOCC2)C1 C1CN(CCO1)C[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)N1CCC[C@H]1[*:1]
CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2CN2CCOCC2)C1 C1CN(CCO1)[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)N1CCC[C@@H]1C[*:1]
CCO[C@H]1C[C@@H]([NH3+])[C@@H]1Nc1ccc(C(=O)OC)c(F)c1F COC(=O)[*:1] CCO[C@H]1C[C@@H]([NH3+])[C@@H]1Nc1ccc(c(F)c1F)[*:1]
CCO[C@H]1C[C@@H]([NH3+])[C@@H]1Nc1ccc(C(=O)OC)c(F)c1F CCO[*:1] COC(=O)c1ccc(N[C@@H]2[C@H](C[C@H]2[NH3+])[*:1])c(F)c1F
CO[C@H]1CCC[C@@H](OC(=O)CCNC(=O)c2ccsc2)C1 c1cc(cs1)[*:1] CO[C@H]1CCC[C@H](C1)OC(=O)CCNC(=O)[*:1]
CCC[C@@H](CCO)CNC(=O)[C@H]1CC=CCC1 OCC[*:1] CCC[C@@H](CNC(=O)[C@H]1CC=CCC1)[*:1]
CCC[C@@H](CCO)CNC(=O)[C@H]1CC=CCC1 CCC[*:1] O=C(NC[C@H](CCO)[*:1])[C@H]1CC=CCC1
COc1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])Nc1nnc(s1)-c1ccccc1
COc1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CCC(=O)Nc1nnc(s1)[*:1]
Fc1ccc(N2CCN(C[C@@H]3COC4(CCCC4)O3)CC2)cc1 Fc1ccc(cc1)[*:1] C1CCC2(C1)OC[C@@H](CN1CCN(CC1)[*:1])O2
CC(=O)[C@H](C)S[C@H](C)C(=O)NCCc1ccc(F)cc1 CC(=O)[C@H](C)[*:1] C[C@@H](S[*:1])C(=O)NCCc1ccc(F)cc1
CC(=O)[C@H](C)S[C@H](C)C(=O)NCCc1ccc(F)cc1 CC(=O)[*:1] C[C@H](S[C@H](C)C(=O)NCCc1ccc(F)cc1)[*:1]
C=CCN(C(=O)c1cccc(OCC(F)F)n1)c1ccccc1 FC(F)C[*:1] C=CCN(C(=O)c1cccc(n1)O[*:1])c1ccccc1
C=CCN(C(=O)c1cccc(OCC(F)F)n1)c1ccccc1 C=CC[*:1] O=C(c1cccc(n1)OCC(F)F)N(c1ccccc1)[*:1]
C=CCN(C(=O)c1cccc(OCC(F)F)n1)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)c1cccc(n1)OCC(F)F)[*:1]
C=CCN(C(=O)c1cccc(OCC(F)F)n1)c1ccccc1 FC(F)[*:1] C=CCN(C(=O)c1cccc(n1)OC[*:1])c1ccccc1
C=CCN(C(=O)c1cccc(OCC(F)F)n1)c1ccccc1 FC(F)CO[*:1] C=CCN(C(=O)c1cccc(n1)[*:1])c1ccccc1
O=C(NC[C@H]1CCOC1)Nc1cc(F)ccc1OC[C@H]1CCCO1 C1C[C@@H](CO1)[*:1] O=C(NC[*:1])Nc1cc(F)ccc1OC[C@H]1CCCO1
O=C(NC[C@H]1CCOC1)Nc1cc(F)ccc1OC[C@H]1CCCO1 C1C[C@@H](CO1)C[*:1] O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N[*:1]
O=C(NC[C@H]1CCOC1)Nc1cc(F)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)CO[*:1] O=C(NC[C@H]1CCOC1)Nc1cc(F)ccc1[*:1]
O=C(NC[C@H]1CCOC1)Nc1cc(F)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(NC[C@H]1CCOC1)Nc1cc(F)ccc1O[*:1]
O=C(NC[C@H]1CCOC1)Nc1cc(F)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NC[C@H]1CCOC1)Nc1cc(F)ccc1OC[*:1]
NC(=O)c1ccc(COC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 Clc1ccccc1[*:1] NC(=O)c1ccc(cc1)COC(=O)c1ccc(o1)[*:1]
NC(=O)c1ccc(COC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 NC(=O)[*:1] O=C(OCc1ccc(cc1)[*:1])c1ccc(o1)-c1ccccc1Cl
Cc1nc2c(s1)[C@H]([NH2+][C@H](CO)CC(C)(C)C)CCC2 CC(C)(C)[*:1] Cc1nc2CCC[C@@H]([NH2+][C@H](CO)C[*:1])c2s1
Cc1nc2c(s1)[C@H]([NH2+][C@H](CO)CC(C)(C)C)CCC2 CC(C)(C)C[*:1] Cc1nc2CCC[C@@H]([NH2+][C@H](CO)[*:1])c2s1
CCc1ccc(CC)c(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)c1 O=C1CCCN1[*:1] CCc1ccc(CC)c(c1)NC(=O)c1cc(ccc1Cl)[*:1]
Cc1ccccc1CCNc1ccc(C(=O)[O-])cc1N O=C([O-])[*:1] Cc1ccccc1CCNc1ccc(cc1N)[*:1]
Cc1ccc(-n2c(SCC(=O)NCCc3cccs3)nc3ccccc3c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])NCCc1cccs1
Cc1ccc(-n2c(SCC(=O)NCCc3cccs3)nc3ccccc3c2=O)cc1 c1csc(c1)CC[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)NCCc3cccs3)nc3ccccc3c2=O)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)NCC[*:1]
Cc1ccc(-n2c(SCC(=O)NCCc3cccs3)nc3ccccc3c2=O)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)NC[*:1]
Cc1ccc(-n2c(SCC(=O)NCCc3cccs3)nc3ccccc3c2=O)cc1 O=C(NCCc1cccs1)[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)SC[*:1]
C[C@H]([NH2+]CC/N=C(\O)c1ncccc1O)c1ccsc1 c1cc(cs1)[*:1] C[C@H]([NH2+]CC/N=C(\O)c1ncccc1O)[*:1]
CCCc1cc(=O)[nH]c(Nc2ccc(OC)cc2OC)n1 CCC[*:1] COc1ccc(Nc2nc(cc(=O)[nH]2)[*:1])c(c1)OC
Cc1cccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)cc(C)cc3s2)c1 c1cn(cn1)CC[*:1] Cc1cccc(c1)C(=O)N(C[*:1])c1nc2c(C)cc(C)cc2s1
Cc1cccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)cc(C)cc3s2)c1 Cc1cccc(c1)[*:1] Cc1cc(C)c2nc(sc2c1)N(CCCn1ccnc1)C(=O)[*:1]
Cc1cccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)cc(C)cc3s2)c1 c1cn(cn1)[*:1] Cc1cccc(c1)C(=O)N(CCC[*:1])c1nc2c(C)cc(C)cc2s1
Cc1cccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)cc(C)cc3s2)c1 c1cn(cn1)C[*:1] Cc1cccc(c1)C(=O)N(CC[*:1])c1nc2c(C)cc(C)cc2s1
Cc1cccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)cc(C)cc3s2)c1 c1cn(cn1)CCC[*:1] Cc1cccc(c1)C(=O)N(c1nc2c(C)cc(C)cc2s1)[*:1]
CCNC(=O)c1ccc(NC(=O)c2cc3ccc(C)cc3nc2C)cc1 CCNC(=O)[*:1] Cc1ccc2cc(C(=O)Nc3ccc(cc3)[*:1])c(C)nc2c1
O=C(CCNC(=O)c1ccc(Br)cc1)NCCN1CCc2ccccc2C1 Brc1ccc(cc1)[*:1] O=C(CCNC(=O)[*:1])NCCN1CCc2ccccc2C1
COC(=O)c1sccc1NC(=O)C[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 COC(=O)[*:1] C[C@@H]1CC(C)(C)C[C@](CO)(C1)[NH2+]CC(=O)Nc1ccsc1[*:1]
CCOc1ccccc1C(=O)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 CCO[*:1] O=C(c1ccccc1[*:1])N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21
CCOc1ccccc1C(=O)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 c1ccc(cc1)[*:1] CCOc1ccccc1C(=O)N1CCCC[C@H]2[NH2+]CC[C@H]([C@H]21)[*:1]
CCOc1ccccc1C(=O)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 CCOc1ccccc1[*:1] O=C(N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21)[*:1]
C[C@@H](C1CC1)n1nccc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 C1CC1[*:1] C[C@@H](n1nccc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1)[*:1]
C[C@@H](C1CC1)n1nccc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 C[C@@H](C1CC1)[*:1] C[C@@H]1CN(CC(=O)Nc2ccnn2[*:1])C[C@@H](C)O1
O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[*:1]
O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NC[*:1]
O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccc(F)cc1 Clc1cccc(c1)[*:1] O=C(CCNS(=O)(=O)[*:1])NCc1ccc(F)cc1
O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1Cc2ccccc2O1 Fc1ccc(cc1F)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1Cc2ccccc2O1
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1OC COc1ccc(cc1OC)[*:1] O=C(N[*:1])c1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1OC O=S(=O)(N1CCCCCC1)[*:1] COc1ccc(cc1OC)NC(=O)c1cc(ccc1Cl)[*:1]
CCc1ccc(C(=O)NC(C2CC2)C2CC2)cc1[N+](=O)[O-] C1CC1C(C1CC1)[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
CCc1ccc(C(=O)NC(C2CC2)C2CC2)cc1[N+](=O)[O-] C1CC1[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)NC(C1CC1)[*:1]
CCc1ccc(C(=O)NC(C2CC2)C2CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])C(=O)NC(C1CC1)C1CC1
O=C(CCCn1ccnn1)N1CCO[C@H]2CCCC[C@H]21 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCO[C@H]2CCCC[C@H]21
O=C(CCCn1ccnn1)N1CCO[C@H]2CCCC[C@H]21 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCO[C@H]2CCCC[C@H]21
Cc1nc(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)sc1C Cc1nc(sc1C)[*:1] O=C(NC[*:1])[C@@H]1CCCC[C@H]1C(F)(F)F
Cc1nc(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)sc1C FC(F)(F)[*:1] Cc1nc(CNC(=O)[C@@H]2CCCC[C@@H]2[*:1])sc1C
N#CCOc1ccccc1/C=C\c1nc([O-])c([N+](=O)[O-])c(=O)[nH]1 N#CC[*:1] O=c1[nH]c(/C=C\c2ccccc2O[*:1])nc([O-])c1[N+](=O)[O-]
N#CCOc1ccccc1/C=C\c1nc([O-])c([N+](=O)[O-])c(=O)[nH]1 N#CCO[*:1] O=c1[nH]c(/C=C\c2ccccc2[*:1])nc([O-])c1[N+](=O)[O-]
N#CCOc1ccccc1/C=C\c1nc([O-])c([N+](=O)[O-])c(=O)[nH]1 O=[N+]([O-])[*:1] N#CCOc1ccccc1/C=C\c1nc([O-])c(c(=O)[nH]1)[*:1]
CC(C)[C@H]([NH3+])C(=O)NCC1CCOCC1 CC(C)[*:1] [NH3+][C@H](C(=O)NCC1CCOCC1)[*:1]
Fc1ccccc1[C@H]1Oc2ccccc2C2=Nc3nnnn3[C@@H](c3cccnc3)[C@H]21 Fc1ccccc1[*:1] c1cncc(c1)[C@H]1[C@@H]2C(=Nc3nnnn31)c1ccccc1O[C@@H]2[*:1]
Fc1ccccc1[C@H]1Oc2ccccc2C2=Nc3nnnn3[C@@H](c3cccnc3)[C@H]21 c1cncc(c1)[*:1] Fc1ccccc1[C@H]1Oc2ccccc2C2=Nc3nnnn3[C@@H]([C@H]21)[*:1]
O=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)c2nccn3ccnc23)C1 FC(F)(F)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)c1nccn2ccnc12
O=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)c2nccn3ccnc23)C1 O=C(NCC(F)(F)F)[*:1] O=C(c1nccn2ccnc12)N1CCC[C@H](C1)[*:1]
O=C(NCC(F)(F)F)[C@@H]1CCCN(C(=O)c2nccn3ccnc23)C1 FC(F)(F)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1nccn2ccnc12
O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)NCc1ccco1 O=C(C[*:1])NCc1ccco1 O=C(Nc1ccc2nc(S[*:1])sc2c1)c1ccccc1F
O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CSc1nc2ccc(cc2s1)NC(=O)c1ccccc1F)N[*:1]
O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)NCc1ccco1 Fc1ccccc1[*:1] O=C(CSc1nc2ccc(cc2s1)NC(=O)[*:1])NCc1ccco1
O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)NCc1ccco1 O=C(N[*:1])c1ccccc1F O=C(CSc1nc2ccc(cc2s1)[*:1])NCc1ccco1
O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)NCc1ccco1 c1coc(c1)[*:1] O=C(CSc1nc2ccc(cc2s1)NC(=O)c1ccccc1F)NC[*:1]
O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=C(Nc1ccc2nc(SC[*:1])sc2c1)c1ccccc1F
CSCc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1 CSCc1ccc(o1)[*:1] CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](C1)NC(=O)[*:1]
CSCc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] CSCc1ccc(o1)C(=O)N[C@H]1CC(C)(C)Cc2c1cnn2[*:1]
CSCc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1 CSC[*:1] CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](C1)NC(=O)c1ccc(o1)[*:1]
CC(C)C[C@@H](CNc1ccc(C(=O)N(C)C)nn1)C(=O)[O-] CC(C)[*:1] CN(C)C(=O)c1ccc(nn1)NC[C@H](C[*:1])C(=O)[O-]
CC(C)C[C@@H](CNc1ccc(C(=O)N(C)C)nn1)C(=O)[O-] CC(C)C[*:1] CN(C)C(=O)c1ccc(nn1)NC[C@@H](C(=O)[O-])[*:1]
CC(C)C[C@@H](CNc1ccc(C(=O)N(C)C)nn1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](CNc1ccc(nn1)C(=O)N(C)C)[*:1]
CC(C)C[C@@H](CNc1ccc(C(=O)N(C)C)nn1)C(=O)[O-] CN(C)C(=O)[*:1] CC(C)C[C@@H](CNc1ccc(nn1)[*:1])C(=O)[O-]
Cc1c(C[S@@](C)=O)cccc1NC(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 Cc1c(cccc1NC(=O)CC[*:1])C[S@@](C)=O
Cc1c(C[S@@](C)=O)cccc1NC(=O)CCCn1ccnn1 c1cn(CC[*:1])nn1 Cc1c(cccc1NC(=O)C[*:1])C[S@@](C)=O
Cc1c(C[S@@](C)=O)cccc1NC(=O)CCCn1ccnn1 c1cn(nn1)[*:1] Cc1c(cccc1NC(=O)CCC[*:1])C[S@@](C)=O
O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1cc([N+](=O)[O-])ccc1O O=C(N[*:1])C1CC1 O=C(Cc1ccc(cc1)[*:1])Nc1cc(ccc1O)[N+](=O)[O-]
O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1cc([N+](=O)[O-])ccc1O C1CC1[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])Nc1cc(ccc1O)[N+](=O)[O-]
O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1cc([N+](=O)[O-])ccc1O O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)NC(=O)C1CC1)Nc1cc(ccc1O)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)[C@@H](C)Sc1ccccn1 C[C@@H](O)C[*:1] C[C@@H](Sc1ccccn1)C(=O)NC[C@H](C)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)[C@@H](C)Sc1ccccn1 C[C@@H](O)[*:1] C[C@@H](CNC(=O)[C@@H](C)Sc1ccccn1)C[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)[C@@H](C)S[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)[C@@H](C)Sc1ccccn1 C[C@@H](O)C[C@@H](C)[*:1] C[C@@H](Sc1ccccn1)C(=O)NC[*:1]
CNC(=O)CC1CC[NH+](Cc2c(C)cc(Cl)cc2C)CC1 CNC(=O)[*:1] Cc1cc(Cl)cc(C)c1C[NH+]1CCC(CC1)C[*:1]
CNC(=O)CC1CC[NH+](Cc2c(C)cc(Cl)cc2C)CC1 CNC(=O)C[*:1] Cc1cc(Cl)cc(C)c1C[NH+]1CCC(CC1)[*:1]
CC(C)CC(=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 CC(C)[*:1] O=C(C[*:1])N(Cc1ccc2cc[nH]c2c1)C1CC1
CC(C)CC(=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 C1CC1[*:1] CC(C)CC(=O)N(Cc1ccc2cc[nH]c2c1)[*:1]
CC(C)CC(=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 CC(C)C[*:1] O=C(N(Cc1ccc2cc[nH]c2c1)C1CC1)[*:1]
O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1ccc(Cl)o1 Fc1ccc(cc1)[*:1] O=C(OCc1nc(C[*:1])no1)c1ccc(Cl)o1
O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1ccc(Cl)o1 Clc1ccc(o1)[*:1] O=C(OCc1nc(Cc2ccc(F)cc2)no1)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O c1ccc(cc1)C[*:1] CC[C@]1(NC(=O)N(CC(=O)N(C(C)(C)C)[*:1])C1=O)c1ccccc1
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CC(=O)N(C[*:1])C(C)(C)C)C1=O)c1ccccc1
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O CC(C)(C)[*:1] CC[C@]1(NC(=O)N(CC(=O)N(Cc2ccccc2)[*:1])C1=O)c1ccccc1
OCC[C@H]([NH2+]C1Cc2ccccc2C1)C1CC1 C1CC1[*:1] OCC[C@H]([NH2+]C1Cc2ccccc2C1)[*:1]
OCC[C@H]([NH2+]C1Cc2ccccc2C1)C1CC1 OCC[*:1] c1ccc2CC(Cc2c1)[NH2+][C@H](C1CC1)[*:1]
CN(Cc1ccccc1)C(=O)CN1C(=O)[C@@H](C(=O)N2CCCCCC2)Sc2ccccc21 O=C(N1CCCCCC1)[*:1] CN(Cc1ccccc1)C(=O)CN1C(=O)[C@@H](Sc2ccccc21)[*:1]
CN(Cc1ccccc1)C(=O)CN1C(=O)[C@@H](C(=O)N2CCCCCC2)Sc2ccccc21 c1ccc(cc1)C[*:1] CN(C(=O)CN1C(=O)[C@H](Sc2ccccc21)C(=O)N1CCCCCC1)[*:1]
CN(Cc1ccccc1)C(=O)CN1C(=O)[C@@H](C(=O)N2CCCCCC2)Sc2ccccc21 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CN1C(=O)[C@H](Sc2ccccc21)C(=O)N1CCCCCC1
CCc1ccc(C(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(N1CCN(CC1)Cc1nc(no1)-c1ccccc1)[*:1]
CCc1ccc(C(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)C(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
COc1cc(-c2nc(Cc3ccc(F)cc3)no2)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OC[*:1])-c1nc(Cc2ccc(F)cc2)no1
COc1cc(-c2nc(Cc3ccc(F)cc3)no2)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(ccc1O[*:1])-c1nc(Cc2ccc(F)cc2)no1
COc1cc(-c2nc(Cc3ccc(F)cc3)no2)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(ccc1[*:1])-c1nc(Cc2ccc(F)cc2)no1
COc1cc(-c2nc(Cc3ccc(F)cc3)no2)ccc1OCC(N)=O Fc1ccc(cc1)[*:1] COc1cc(ccc1OCC(N)=O)-c1nc(C[*:1])no1
COc1cc(-c2nc(Cc3ccc(F)cc3)no2)ccc1OCC(N)=O Fc1ccc(cc1)C[*:1] COc1cc(ccc1OCC(N)=O)-c1nc(no1)[*:1]
CC(C)CN(CC[NH+](C)C)C(=O)c1sccc1Br CC(C)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1sccc1Br
CC(C)CN(CC[NH+](C)C)C(=O)c1sccc1Br CC(C)C[*:1] C[NH+](C)CCN(C(=O)c1sccc1Br)[*:1]
CC(C)CN(CC[NH+](C)C)C(=O)c1sccc1Br Brc1ccsc1[*:1] CC(C)CN(CC[NH+](C)C)C(=O)[*:1]
COc1ccc(C)cc1CCNC(=O)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] COc1ccc(C)cc1CCNC(=O)Nc1nnc(s1)[*:1]
CN(Cc1cccc(Cl)c1Cl)C(=O)CCc1c[nH]c2ccccc12 Clc1cccc(c1Cl)[*:1] CN(C[*:1])C(=O)CCc1c[nH]c2ccccc12
C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](Nc1ccc(c2cccnc12)[N+](=O)[O-])[*:1]
C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Br)cc1 O=[N+]([O-])[*:1] C[C@H](Nc1ccc(c2cccnc12)[*:1])c1ccc(Br)cc1
COCc1ccc(CNC(=O)NNC(=O)c2ccc3ccccc3n2)cc1 COC[*:1] O=C(NCc1ccc(cc1)[*:1])NNC(=O)c1ccc2ccccc2n1
COCc1ccc(CNC(=O)NNC(=O)c2ccc3ccccc3n2)cc1 COCc1ccc(cc1)[*:1] O=C(NC[*:1])NNC(=O)c1ccc2ccccc2n1
O=C([O-])C1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 O=C([O-])[*:1] O=C(COc1ccc(Cl)cc1Cl)N1CCC(CC1)[*:1]
Cc1ccc(C)c(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 Brc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N(CC(=O)N[*:1])S(C)(=O)=O
Cc1ccc(C)c(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 Cc1ccc(C)c(c1)[*:1] CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)[*:1]
CCN(C)c1ccc(C(=O)N2CCN(Cc3noc(-c4cccs4)n3)CC2)cc1 CCN(C)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)Cc1noc(n1)-c1cccs1
CCN(C)c1ccc(C(=O)N2CCN(Cc3noc(-c4cccs4)n3)CC2)cc1 c1csc(c1)[*:1] CCN(C)c1ccc(cc1)C(=O)N1CCN(CC1)Cc1noc(n1)[*:1]
CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(CN2CCCC2=O)cc1 CC(C)(C)[*:1] O=C1CCCN1Cc1ccc(cc1)C[NH2+]Cc1c[nH]nc1[*:1]
CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(cc1)[*:1]
CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(cc1)C[*:1]
Fc1ccccc1NC(=S)N(Cc1ccco1)C1CCCCC1 c1coc(c1)[*:1] Fc1ccccc1NC(=S)N(C[*:1])C1CCCCC1
Fc1ccccc1NC(=S)N(Cc1ccco1)C1CCCCC1 Fc1ccccc1[*:1] S=C(N[*:1])N(Cc1ccco1)C1CCCCC1
Fc1ccccc1NC(=S)N(Cc1ccco1)C1CCCCC1 c1coc(c1)C[*:1] Fc1ccccc1NC(=S)N(C1CCCCC1)[*:1]
Fc1ccccc1NC(=S)N(Cc1ccco1)C1CCCCC1 C1CCC(CC1)[*:1] Fc1ccccc1NC(=S)N(Cc1ccco1)[*:1]
O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1nc(-c2ccc(Br)cc2)cs1 Brc1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1nc(cs1)[*:1]
CCO[C@H]1C[C@@H](NS(=O)(=O)CC2CCC2)C12CCCC2 CCO[*:1] O=S(=O)(CC1CCC1)N[C@@H]1C[C@@H](C12CCCC2)[*:1]
CCO[C@H]1C[C@@H](NS(=O)(=O)CC2CCC2)C12CCCC2 C1CC(C1)C[*:1] CCO[C@H]1C[C@@H](NS(=O)(=O)[*:1])C12CCCC2
CCO[C@H]1C[C@@H](NS(=O)(=O)CC2CCC2)C12CCCC2 C1CC(C1)[*:1] CCO[C@H]1C[C@@H](NS(=O)(=O)C[*:1])C12CCCC2
CC(=O)N1CCc2cc(NCc3cnn(Cc4ccccc4)c3)ccc21 c1ccc(cc1)C[*:1] CC(=O)N1CCc2cc(ccc21)NCc1cnn(c1)[*:1]
CC(=O)N1CCc2cc(NCc3cnn(Cc4ccccc4)c3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)NCc1cnn(c1)C[*:1]
COc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1 COc1ccc(cc1)[*:1] O=C(CCc1ccccc1)Nc1nc(cs1)[*:1]
COc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)CC[*:1]
COc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)C[*:1]
COc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1NC(=O)/C=C/c1ccc(cc1)[*:1]
CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1NC(=O)C=C[*:1]
CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])c1ccc(C=C[*:1])cc1 CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1NC(=O)[*:1]
CNC(=O)Cc1noc(-c2cc3c(s2)CCCC3)n1 CNC(=O)[*:1] c1c(sc2CCCCc12)-c1nc(C[*:1])no1
CNC(=O)Cc1noc(-c2cc3c(s2)CCCC3)n1 CNC(=O)C[*:1] c1c(sc2CCCCc12)-c1nc(no1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)NCc2nccc3ccccc23)cc1 CNS(=O)(=O)[*:1] O=C(NCc1nccc2ccccc12)c1ccc(cc1)[*:1]
COC(=O)c1c(NC(=O)C2CC2)sc(C(=O)N(C)C)c1C CN(C)C(=O)[*:1] COC(=O)c1c(NC(=O)C2CC2)sc(c1C)[*:1]
COC(=O)c1c(NC(=O)C2CC2)sc(C(=O)N(C)C)c1C O=C(N[*:1])C1CC1 COC(=O)c1c(sc(C(=O)N(C)C)c1C)[*:1]
COC(=O)c1c(NC(=O)C2CC2)sc(C(=O)N(C)C)c1C COC(=O)[*:1] Cc1c(sc(NC(=O)C2CC2)c1[*:1])C(=O)N(C)C
COC(=O)c1c(NC(=O)C2CC2)sc(C(=O)N(C)C)c1C C1CC1[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)N(C)C)c1C
O=C(c1c(F)cccc1F)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1 Fc1cccc(F)c1[*:1] O=C(N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1)[*:1]
O=C(c1c(F)cccc1F)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1 Clc1cccc(c1)[*:1] O=C(c1c(F)cccc1F)N([C@H]1C=CS(=O)(=O)C1)[*:1]
CCn1cnnc1-c1ccccc1NC(=O)c1cc2c(F)cccc2[nH]1 CCn1cnnc1[*:1] O=C(Nc1ccccc1[*:1])c1cc2c(F)cccc2[nH]1
Cc1nnc(NC(=O)CSc2nc([O-])c(C#N)c(-c3ccccc3)n2)s1 c1ccc(cc1)[*:1] Cc1nnc(NC(=O)CSc2nc([O-])c(C#N)c(n2)[*:1])s1
Cc1nnc(NC(=O)CSc2nc([O-])c(C#N)c(-c3ccccc3)n2)s1 Cc1nnc(s1)[*:1] N#Cc1c([O-])nc(nc1-c1ccccc1)SCC(=O)N[*:1]
NC(=O)CSCC(F)(F)F NC(=O)[*:1] FC(F)(F)CSC[*:1]
O=C(NCc1ccccc1F)c1ccc2c(c1)COCO2 Fc1ccccc1[*:1] O=C(NC[*:1])c1ccc2OCOCc2c1
CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2c(=O)n1C(C)C CC(C)[*:1] CC(C)c1cccc(c1NC(=O)CSc1nc2ccccc2c(=O)n1C(C)C)[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2c(=O)n1C(C)C CC(C)[*:1] CC(C)c1cccc(c1NC(=O)CSc1nc2ccccc2c(=O)n1[*:1])C(C)C
C[C@H]1CCC[C@@H](C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1 C1CN(CCO1)[*:1] C[C@H]1CCC[C@H](C1)C[NH+]1CCN(CC1)c1cc(ncn1)[*:1]
N#CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 N#CC[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CC[C@@H](C)NC(=O)N(C)Cc1nc2cc(C(=O)N3CCCC3)ccc2n1C O=C(N1CCCC1)[*:1] CC[C@@H](C)NC(=O)N(C)Cc1nc2cc(ccc2n1C)[*:1]
N#CC1=C(N)C(c2ccccc2)(c2ccccc2)CC1 c1ccc(cc1)[*:1] N#CC1CCC(C=1N)(c1ccccc1)[*:1]
O=C([O-])Cc1c(F)cc(Cl)cc1F O=C([O-])C[*:1] Fc1cc(Cl)cc(F)c1[*:1]
O=C([O-])Cc1c(F)cc(Cl)cc1F O=C([O-])[*:1] Fc1cc(Cl)cc(F)c1C[*:1]
Cc1ccc(C(=O)[C@@H](OC(=O)C2=c3ccccc3=[NH+]C(=O)C2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C1CC(C(=O)O[C@H](C(=O)[*:1])c2ccccc2)=c2ccccc2=[NH+]1
Cc1ccc(C(=O)[C@@H](OC(=O)C2=c3ccccc3=[NH+]C(=O)C2)c2ccccc2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1CC(C(=O)O[C@@H](c2ccccc2)[*:1])=c2ccccc2=[NH+]1
Cc1ccc(C(=O)[C@@H](OC(=O)C2=c3ccccc3=[NH+]C(=O)C2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)[C@@H](OC(=O)C1CC(=O)[NH+]=c2ccccc2=1)[*:1]
Nc1cc(C(=O)[O-])cc(-c2cccc(C(=O)[O-])c2)c1 O=C([O-])[*:1] Nc1cc(cc(c1)-c1cccc(c1)[*:1])C(=O)[O-]
Nc1cc(C(=O)[O-])cc(-c2cccc(C(=O)[O-])c2)c1 O=C([O-])[*:1] Nc1cc(cc(c1)[*:1])-c1cccc(c1)C(=O)[O-]
CCO[C@H](C)[C@@H](O)Cc1nc2ccccc2s1 CCO[*:1] C[C@H]([C@@H](O)Cc1nc2ccccc2s1)[*:1]
CCO[C@H](C)[C@@H](O)Cc1nc2ccccc2s1 CCO[C@H](C)[*:1] O[C@@H](Cc1nc2ccccc2s1)[*:1]
O=C(CCc1cccc([N+](=O)[O-])c1)N1CCOCC1 O=[N+]([O-])[*:1] O=C(CCc1cccc(c1)[*:1])N1CCOCC1
Cc1ccc(N2C[C@@H](C(=O)NC(C3CC3)C3CC3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NC(C1CC1)C1CC1)[C@H]1CCC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC(C3CC3)C3CC3)CCC2=O)cc1C C1CC1[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)NC(C1CC1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC(C3CC3)C3CC3)CCC2=O)cc1C C1CC1C(C1CC1)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N[*:1]
CCOC(=O)c1c(C)oc2c1/C(=C/NN1CCOCC1)C(=O)c1ccccc1-2 CCOC(=O)[*:1] Cc1oc2-c3ccccc3C(=O)/C(=C\NN3CCOCC3)c2c1[*:1]
CCOC(=O)c1c(C)oc2c1/C(=C/NN1CCOCC1)C(=O)c1ccccc1-2 C1CN(CCO1)N[*:1] CCOC(=O)c1c(C)oc2-c3ccccc3C(=O)C(=C[*:1])c21
CCC[C@@]1(C)NC(=O)N(CC(=O)N2CCCC[C@@H]2C)C1=O CCC[*:1] C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
COc1ccc(CNC(=O)CSc2nnc(N3C(=O)c4ccccc4C3=O)s2)cc1 COc1ccc(cc1)C[*:1] O=C(CSc1nnc(s1)N1C(=O)c2ccccc2C1=O)N[*:1]
COc1ccc(CNC(=O)CSc2nnc(N3C(=O)c4ccccc4C3=O)s2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc(s1)N1C(=O)c2ccccc2C1=O)NC[*:1]
Cc1nc2ccc(NC(=O)c3csc(Br)c3)cc2o1 Brc1cc(cs1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)[*:1]
Cc1cnccc1-n1nc(-c2ccccc2)nc1[C@@H]1CC[NH2+]C1 Cc1cnccc1[*:1] c1ccc(cc1)-c1nc([C@@H]2CC[NH2+]C2)n(n1)[*:1]
Cc1cnccc1-n1nc(-c2ccccc2)nc1[C@@H]1CC[NH2+]C1 c1ccc(cc1)[*:1] Cc1cnccc1-n1nc(nc1[C@@H]1CC[NH2+]C1)[*:1]
COc1ccc(Cl)cc1NC(=S)NC(=O)CSc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] COc1ccc(Cl)cc1NC(=S)NC(=O)C[*:1]
COc1ccc(Cl)cc1NC(=S)NC(=O)CSc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=S)NC(=O)CS[*:1]
O=C1CCCN1c1cccc(C(=O)N2CCC[C@@H]2Cn2cccn2)c1 c1cnn(c1)[*:1] O=C1CCCN1c1cccc(c1)C(=O)N1CCC[C@@H]1C[*:1]
O=C1CCCN1c1cccc(C(=O)N2CCC[C@@H]2Cn2cccn2)c1 c1cnn(c1)C[*:1] O=C1CCCN1c1cccc(c1)C(=O)N1CCC[C@H]1[*:1]
O=C1CCCN1c1cccc(C(=O)N2CCC[C@@H]2Cn2cccn2)c1 O=C1CCCN1[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@@H]1Cn1cccn1
C[C@H](CCC(=O)[O-])NC(=O)N(C)CCc1cccs1 c1csc(c1)C[*:1] C[C@H](CCC(=O)[O-])NC(=O)N(C)C[*:1]
C[C@H](CCC(=O)[O-])NC(=O)N(C)CCc1cccs1 O=C([O-])CC[*:1] C[C@H](NC(=O)N(C)CCc1cccs1)[*:1]
C[C@H](CCC(=O)[O-])NC(=O)N(C)CCc1cccs1 c1csc(c1)[*:1] C[C@H](CCC(=O)[O-])NC(=O)N(C)CC[*:1]
C[C@H](CCC(=O)[O-])NC(=O)N(C)CCc1cccs1 O=C([O-])C[*:1] C[C@H](C[*:1])NC(=O)N(C)CCc1cccs1
C[C@H](CCC(=O)[O-])NC(=O)N(C)CCc1cccs1 O=C([O-])[*:1] C[C@H](CC[*:1])NC(=O)N(C)CCc1cccs1
CSc1ncc(C(=O)Nc2cccc(C(C)=O)c2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1ncc(C(=O)Nc2cccc(c2)C(C)=O)n1[*:1]
CSc1ncc(C(=O)Nc2cccc(C(C)=O)c2)n1-c1ccc(F)cc1 CC(=O)[*:1] CSc1ncc(C(=O)Nc2cccc(c2)[*:1])n1-c1ccc(F)cc1
CCC[C@@H]1C(=O)NC(=O)C[C@H]1c1cccc(OCC)c1 CCC[*:1] CCOc1cccc(c1)[C@@H]1CC(=O)NC(=O)[C@H]1[*:1]
CCC[C@@H]1C(=O)NC(=O)C[C@H]1c1cccc(OCC)c1 CCO[*:1] CCC[C@@H]1C(=O)NC(=O)C[C@H]1c1cccc(c1)[*:1]
CCCc1ncc(C(=O)N(C)[C@@H](C)CSCC)s1 CCSC[*:1] CCCc1ncc(s1)C(=O)N(C)[C@@H](C)[*:1]
CCCc1ncc(C(=O)N(C)[C@@H](C)CSCC)s1 CCS[*:1] CCCc1ncc(s1)C(=O)N(C)[C@@H](C)C[*:1]
CCCc1ncc(C(=O)N(C)[C@@H](C)CSCC)s1 CCC[*:1] CCSC[C@H](C)N(C)C(=O)c1cnc(s1)[*:1]
Cc1cc(-c2cccs2)c2c(N)c(C(=O)c3ccc4c(c3)OCCO4)sc2n1 c1csc(c1)[*:1] Cc1cc(c2c(N)c(sc2n1)C(=O)c1ccc2OCCOc2c1)[*:1]
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)CC(=O)Nc1cccc(C)c1C c1ccc(cc1)[*:1] Cc1ccccc1-c1nn(cc1C(=O)N(C)CC(=O)Nc1cccc(C)c1C)[*:1]
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)CC(=O)Nc1cccc(C)c1C Cc1ccccc1[*:1] Cc1cccc(NC(=O)CN(C)C(=O)c2cn(nc2[*:1])-c2ccccc2)c1C
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)CC(=O)Nc1cccc(C)c1C Cc1cccc(c1C)[*:1] Cc1ccccc1-c1nn(cc1C(=O)N(C)CC(=O)N[*:1])-c1ccccc1
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)CC(=O)Nc1cccc(C)c1C Cc1cccc(NC(=O)[*:1])c1C Cc1ccccc1-c1nn(cc1C(=O)N(C)C[*:1])-c1ccccc1
O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCCCC1 Fc1ccc(cc1)[*:1] O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1])N1CCCCC1
O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=S(=O)(c1ccc(F)cc1)N1Cc2ccccc2C[C@H]1[*:1]
CC[C@@H]1COCCN1C(=O)CNC(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@@H]1COCCN1C(=O)CNC(=O)[*:1]
Cc1ccc([C@@H](C)O)c(OC[C@@H]2COc3ccccc32)c1 C[C@@H](O)[*:1] Cc1ccc(c(c1)OC[C@@H]1COc2ccccc21)[*:1]
Cc1ccc(OCC(=O)N(C)C)c(C[NH2+]C(C)C)n1 CN(C)C(=O)[*:1] Cc1ccc(OC[*:1])c(C[NH2+]C(C)C)n1
Cc1ccc(OCC(=O)N(C)C)c(C[NH2+]C(C)C)n1 CC(C)[*:1] Cc1ccc(OCC(=O)N(C)C)c(C[NH2+][*:1])n1
Cc1ccc(OCC(=O)N(C)C)c(C[NH2+]C(C)C)n1 CN(C)C(=O)C[*:1] Cc1ccc(O[*:1])c(C[NH2+]C(C)C)n1
C#CCOCCC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] C#CCOCCC(=O)[C@@H](C#N)c1ccc(cn1)[*:1]
C#CCOCCC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 C#CCOCC[*:1] N#C[C@H](C(=O)[*:1])c1ccc(cn1)C(F)(F)F
C#CCOCCC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 C#CCOC[*:1] N#C[C@H](C(=O)C[*:1])c1ccc(cn1)C(F)(F)F
C#CCOCCC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 C#CCO[*:1] N#C[C@H](C(=O)CC[*:1])c1ccc(cn1)C(F)(F)F
C#CCOCCC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 C#CC[*:1] N#C[C@H](C(=O)CCO[*:1])c1ccc(cn1)C(F)(F)F
C=CCC[C@H](CC)[NH2+]CC(=O)N1CCc2sccc2C1 C=CCC[*:1] CC[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)[*:1]
C=CCC[C@H](CC)[NH2+]CC(=O)N1CCc2sccc2C1 C=CC[*:1] CC[C@@H](C[*:1])[NH2+]CC(=O)N1CCc2sccc2C1
C[C@H](SCc1cccc(C(=O)N2CCCCC2)c1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] C[C@H](SCc1cccc(c1)C(=O)N1CCCCC1)[*:1]
C[C@H](SCc1cccc(C(=O)N2CCCCC2)c1)c1nc(C2CC2)no1 O=C(N1CCCCC1)[*:1] C[C@H](SCc1cccc(c1)[*:1])c1nc(no1)C1CC1
C[C@H](SCc1cccc(C(=O)N2CCCCC2)c1)c1nc(C2CC2)no1 C1CC1[*:1] C[C@H](SCc1cccc(c1)C(=O)N1CCCCC1)c1nc(no1)[*:1]
CCCNC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1Cl CCC[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
CCCNC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1Cl Cc1cccc(c1)O[*:1] CCCNC(=O)c1ccc(cc1Cl)NC(=O)[C@H](C)[*:1]
CCCNC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1Cl CCCNC(=O)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCNC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1Cl Cc1cccc(c1)[*:1] CCCNC(=O)c1ccc(cc1Cl)NC(=O)[C@H](C)O[*:1]
O=C(Cn1nnnc1CN1CCc2ccccc2C1)NCc1cccs1 c1csc(c1)[*:1] O=C(Cn1nnnc1CN1CCc2ccccc2C1)NC[*:1]
O=C(Cn1nnnc1CN1CCc2ccccc2C1)NCc1cccs1 c1csc(c1)C[*:1] O=C(Cn1nnnc1CN1CCc2ccccc2C1)N[*:1]
CCN(CC)C(=O)C1CCN(C(=O)NCCCc2c(C)noc2C)CC1 CCN(CC)C(=O)[*:1] Cc1noc(C)c1CCCNC(=O)N1CCC(CC1)[*:1]
CCN(CC)C(=O)C1CCN(C(=O)NCCCc2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)NCCC[*:1]
CCN(CC)C(=O)C1CCN(C(=O)NCCCc2c(C)noc2C)CC1 Cc1noc(C)c1C[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)NCC[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 CCCC[*:1] O=C(Nc1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 CCC[*:1] O=C(Nc1ccccc1)C1CCN(CC1)S(=O)(=O)C[*:1]
CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CCCCS(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
O=C1/C(=C/c2ccc(-n3cncn3)cc2)CCc2c(O)cccc21 c1ncn(n1)[*:1] O=C1/C(=C/c2ccc(cc2)[*:1])CCc2c(O)cccc21
Cc1cc(C)c(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1cc(C)c(cc1C)C(=O)CSc1nnc(C2CC2)n1[*:1]
Cc1cc(C)c(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1C C1CC1[*:1] Cc1cc(C)c(cc1C)C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
Cc1cc(C)c(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1C Cc1cc(C)c(cc1C)[*:1] O=C(CSc1nnc(C2CC2)n1-c1ccccc1)[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 O=[N+]([O-])[*:1] O=C(CSc1ccc(Cl)cc1)Nc1ccc(cc1N1CCOCC1)[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 Clc1ccc(cc1)[*:1] O=C(CS[*:1])Nc1ccc(cc1N1CCOCC1)[N+](=O)[O-]
O=C(CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 Clc1ccc(cc1)S[*:1] O=C(C[*:1])Nc1ccc(cc1N1CCOCC1)[N+](=O)[O-]
O=C(CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(CSc1ccc(Cl)cc1)Nc1ccc(cc1[*:1])[N+](=O)[O-]
O=C(CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 Clc1ccc(cc1)SC[*:1] O=C(Nc1ccc(cc1N1CCOCC1)[N+](=O)[O-])[*:1]
CN(C)C(=O)CN(C)C(=O)c1cc(Br)ccc1Cl CN(C)C(=O)[*:1] CN(C[*:1])C(=O)c1cc(Br)ccc1Cl
CN(C)C(=O)CN(C)C(=O)c1cc(Br)ccc1Cl CN(C)C(=O)C[*:1] CN(C(=O)c1cc(Br)ccc1Cl)[*:1]
O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4nccs4)CC3)cc2[nH]c1=O c1csc(n1)[*:1] O=c1[nH]c2ccc(cc2[nH]c1=O)S(=O)(=O)N1CCN(CC1)[*:1]
CC(=O)C1=C(C)C(C(=O)Nc2ccc(F)cc2)=N[C@@H]1C CC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)Nc1ccc(F)cc1
COc1ccc(C(=O)N2CCC(c3cc(=O)cc(C)[nH]3)CC2)cn1 COc1ccc(cn1)[*:1] Cc1cc(=O)cc([nH]1)C1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N2CCC(c3cc(=O)cc(C)[nH]3)CC2)cn1 Cc1cc(=O)cc([nH]1)[*:1] COc1ccc(cn1)C(=O)N1CCC(CC1)[*:1]
COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 COc1ccccc1[*:1] C[C@@H]1Oc2c(cccc2C(=O)N(Cc2ccccc2)[C@@H](C)C[*:1])NC1=O
COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 c1ccc(cc1)C[*:1] COc1ccccc1C[C@H](C)N(C(=O)c1cccc2NC(=O)[C@H](C)Oc21)[*:1]
COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 COc1ccccc1C[*:1] C[C@@H]1Oc2c(cccc2C(=O)N(Cc2ccccc2)[C@@H](C)[*:1])NC1=O
COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 COc1ccccc1C[C@H](C)[*:1] C[C@@H]1Oc2c(cccc2C(=O)N(Cc2ccccc2)[*:1])NC1=O
COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 c1ccc(cc1)[*:1] COc1ccccc1C[C@H](C)N(C[*:1])C(=O)c1cccc2NC(=O)[C@H](C)Oc21
COCC[C@@](O)(CNC(=O)NC(C)C)c1cccs1 c1csc(c1)[*:1] COCC[C@@](O)(CNC(=O)NC(C)C)[*:1]
COCC[C@@](O)(CNC(=O)NC(C)C)c1cccs1 CC(C)[*:1] COCC[C@@](O)(CNC(=O)N[*:1])c1cccs1
COCC[C@@](O)(CNC(=O)NC(C)C)c1cccs1 COCC[*:1] CC(C)NC(=O)NC[C@](O)(c1cccs1)[*:1]
COCC[C@@](O)(CNC(=O)NC(C)C)c1cccs1 COC[*:1] CC(C)NC(=O)NC[C@](O)(C[*:1])c1cccs1
Cc1cc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccc3C)C2)on1 Cc1ccccc1[*:1] Cc1cc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C2)[*:1])on1
Cc1cc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccc3C)C2)on1 Cc1cc(on1)[*:1] Cc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)C[*:1]
Cc1cc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccc3C)C2)on1 Cc1cc(C[*:1])on1 Cc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)[*:1]
Cc1cc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccc3C)C2)on1 O=C([O-])[*:1] Cc1cc(CC(=O)N2C[C@@H]([C@@H](C2)c2ccccc2C)[*:1])on1
O=C(Nc1nc(CN2CCOCC2)cs1)c1cncc(Br)c1 C1CN(CCO1)C[*:1] O=C(Nc1nc(cs1)[*:1])c1cncc(Br)c1
O=C(Nc1nc(CN2CCOCC2)cs1)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C(Nc1nc(cs1)CN1CCOCC1)[*:1]
O=C(Nc1nc(CN2CCOCC2)cs1)c1cncc(Br)c1 C1CN(CCO1)[*:1] O=C(Nc1nc(cs1)C[*:1])c1cncc(Br)c1
Cn1c(-c2ccc(Cl)cc2)nn(CN2CCN(C(=O)/C=C/c3cccs3)CC2)c1=S c1csc(c1)[*:1] Cn1c(nn(CN2CCN(CC2)C(=O)C=C[*:1])c1=S)-c1ccc(Cl)cc1
Cn1c(-c2ccc(Cl)cc2)nn(CN2CCN(C(=O)/C=C/c3cccs3)CC2)c1=S C(=C[*:1])c1cccs1 Cn1c(nn(CN2CCN(CC2)C(=O)[*:1])c1=S)-c1ccc(Cl)cc1
Cn1c(-c2ccc(Cl)cc2)nn(CN2CCN(C(=O)/C=C/c3cccs3)CC2)c1=S Clc1ccc(cc1)[*:1] Cn1c(nn(CN2CCN(CC2)C(=O)/C=C/c2cccs2)c1=S)[*:1]
O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1COc2ccccc2O1)N1CCN(CC1)Cc1nc2sc(cc2c(=O)[nH]1)[*:1]
CN(C(=O)CCc1c[nH]c2ccccc12)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)CCc1c[nH]c2ccccc12)[*:1]
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] CC(C)[*:1] O=C(N[C@H](C(=O)[O-])[*:1])[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)[*:1]
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] c1ccc(cc1)C[*:1] CC(C)[C@H](NC(=O)[C@H](n1c(=O)[nH]c2ccccc2c1=O)[*:1])C(=O)[O-]
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[C@H](C[*:1])n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]
CNC(=S)NC[C@@H](C1=c2ccccc2=[NH+]C1)[C@@H]1CC=CS1 CNC(=S)N[*:1] C1=CS[C@@H](C1)[C@@H](C[*:1])C1C[NH+]=c2ccccc2=1
CNC(=S)NC[C@@H](C1=c2ccccc2=[NH+]C1)[C@@H]1CC=CS1 CNC(=S)NC[*:1] C1=CS[C@@H](C1)[C@H](C1C[NH+]=c2ccccc2=1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)N[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
O=C(NNc1ccccc1C(F)(F)F)c1cc2ccccc2[nH]1 FC(F)(F)[*:1] O=C(NNc1ccccc1[*:1])c1cc2ccccc2[nH]1
Cc1csc(NC(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)n1 Cc1csc(n1)NC(=O)[*:1] CC(C)(C)NC(=O)Cn1c(nc2ccccc21)SC[*:1]
Cc1csc(NC(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)n1 CC(C)(C)[*:1] Cc1csc(n1)NC(=O)CSc1nc2ccccc2n1CC(=O)N[*:1]
Cc1csc(NC(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)n1 Cc1csc(n1)[*:1] CC(C)(C)NC(=O)Cn1c(nc2ccccc21)SCC(=O)N[*:1]
Cc1csc(NC(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)n1 CC(C)(C)NC(=O)[*:1] Cc1csc(n1)NC(=O)CSc1nc2ccccc2n1C[*:1]
Cc1csc(NC(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)n1 CC(C)(C)NC(=O)C[*:1] Cc1csc(n1)NC(=O)CSc1nc2ccccc2n1[*:1]
C[C@H](NS(=O)(=O)c1cccc2ccccc12)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NS(=O)(=O)c1cccc2ccccc12)c1nc(no1)[*:1]
CCN1C(=O)c2cccc3c(NC(=O)C4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)ccc1c23 Cc1ccc(cc1)[*:1] CCN1C(=O)c2cccc3c(ccc1c23)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC[NH2+][C@H](COC(C)C)[C@H]1CN(C)CCO1 CC(C)[*:1] CC[NH2+][C@H](CO[*:1])[C@H]1CN(C)CCO1
CC[NH2+][C@H](COC(C)C)[C@H]1CN(C)CCO1 CC(C)O[*:1] CC[NH2+][C@H](C[*:1])[C@H]1CN(C)CCO1
CC[NH2+][C@H](COC(C)C)[C@H]1CN(C)CCO1 CC(C)OC[*:1] CC[NH2+][C@H]([C@H]1CN(C)CCO1)[*:1]
CCOC(=O)c1cccc(N2C=C(C#N)S(=O)(=O)c3cc(F)ccc32)c1 CCOC(=O)[*:1] N#CC1=CN(c2cccc(c2)[*:1])c2ccc(F)cc2S1(=O)=O
CCCNc1ncc(COc2cccc(C)c2C)s1 CCC[*:1] Cc1cccc(OCc2cnc(N[*:1])s2)c1C
CCCNc1ncc(COc2cccc(C)c2C)s1 CCCN[*:1] Cc1cccc(OCc2cnc(s2)[*:1])c1C
Cc1c(C(=O)NC2CCCC2)oc2ccc3c(c12)C(=O)CC(C)(C)O3 O=C(NC1CCCC1)[*:1] Cc1c(oc2ccc3OC(C)(C)CC(=O)c3c12)[*:1]
Cc1c(C(=O)NC2CCCC2)oc2ccc3c(c12)C(=O)CC(C)(C)O3 C1CCC(C1)[*:1] Cc1c(oc2ccc3OC(C)(C)CC(=O)c3c12)C(=O)N[*:1]
O=C(Nc1cnc(-c2ccccc2)nc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cnc(nc1)[*:1])C1CCN(CC1)S(=O)(=O)c1cccnc1
O=C(Nc1cnc(-c2ccccc2)nc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] O=C(Nc1cnc(nc1)-c1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)CCC[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccc(C)cc2)c1 Cc1ccc(cc1)C[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)CC[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccc(C)cc2)c1 CNC(=O)[*:1] Cc1ccc(cc1)CCCC(=O)Nc1cc(ccc1Cl)[*:1]
CN(CC[C@H]1CCCCO1)C(=O)c1cccc(CCC(C)(C)O)c1 CC(C)(O)CC[*:1] CN(CC[C@H]1CCCCO1)C(=O)c1cccc(c1)[*:1]
CN(CC[C@H]1CCCCO1)C(=O)c1cccc(CCC(C)(C)O)c1 C1CC[C@@H](OC1)[*:1] CN(CC[*:1])C(=O)c1cccc(c1)CCC(C)(C)O
CN(CC[C@H]1CCCCO1)C(=O)c1cccc(CCC(C)(C)O)c1 CC(C)(O)[*:1] CN(CC[C@H]1CCCCO1)C(=O)c1cccc(c1)CC[*:1]
CN(CC[C@H]1CCCCO1)C(=O)c1cccc(CCC(C)(C)O)c1 CC(C)(O)C[*:1] CN(CC[C@H]1CCCCO1)C(=O)c1cccc(c1)C[*:1]
CN(CC[C@H]1CCCCO1)C(=O)c1cccc(CCC(C)(C)O)c1 C1CC[C@H](C[*:1])OC1 CN(C[*:1])C(=O)c1cccc(c1)CCC(C)(C)O
CNC(=O)[C@H]1CCCC[C@@H]1Nc1ccc(I)c(C)[nH+]1 CNC(=O)[*:1] Cc1[nH+]c(ccc1I)N[C@H]1CCCC[C@@H]1[*:1]
Cc1ccc([C@H](C)[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+][C@@H](c1nc(no1)C1CC1)[*:1]
Cc1ccc([C@H](C)[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cc1F C1CC1[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+][C@@H](c1nc(no1)[*:1])C(C)C
COc1ccc([C@H](C)C(=O)NCc2ccc(C(N)=O)o2)cc1 NC(=O)[*:1] COc1ccc(cc1)[C@H](C)C(=O)NCc1ccc(o1)[*:1]
COc1cc(C[NH+](C)C2CCC2)ccc1OCc1c(C)noc1C C1CC(C1)[*:1] COc1cc(ccc1OCc1c(C)noc1C)C[NH+](C)[*:1]
COc1cc(C[NH+](C)C2CCC2)ccc1OCc1c(C)noc1C Cc1noc(C)c1C[*:1] COc1cc(ccc1O[*:1])C[NH+](C)C1CCC1
COc1cc(C[NH+](C)C2CCC2)ccc1OCc1c(C)noc1C Cc1noc(C)c1[*:1] COc1cc(ccc1OC[*:1])C[NH+](C)C1CCC1
C[C@H](Cl)C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 C[C@H](Cl)C(=O)N[*:1] Clc1ccc(-c2nnc(s2)[*:1])c(Cl)c1
C[C@H](Cl)C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 C[C@H](Cl)[*:1] O=C(Nc1nnc(s1)-c1ccc(Cl)cc1Cl)[*:1]
O[C@H](Cc1nc2ccccc2o1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O[C@H](Cc1nc2ccccc2o1)[*:1]
COC[C@@H](N[C@H](C)c1nc2ccccc2n1C)c1ccccc1 COC[*:1] C[C@@H](N[C@@H](c1ccccc1)[*:1])c1nc2ccccc2n1C
COC[C@@H](N[C@H](C)c1nc2ccccc2n1C)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@H](N[C@H](C)c1nc2ccccc2n1C)[*:1]
CCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)N3C[C@H](C)Oc4ccc(Cl)cc43)CC2)CC1 CCOC(=O)N1CCC(CC1)[*:1] C[C@H]1CN(C(=O)N2CCC(CC2)C(=O)N[*:1])c2cc(Cl)ccc2O1
O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1ccc3ccccc31)C2 c1ccc2c(c1)ccn2[*:1] O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)C[*:1]
O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1ccc3ccccc31)C2 c1cc(ccn1)[*:1] O=C(Cn1ccc2ccccc21)N1C[C@H]2CC[C@@H]1CN(C2)C(=O)[*:1]
CC(C)c1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 CC(C)[*:1] O=C1Cc2cc(ccc2N1)NC(=O)Nc1ccc(cc1)[*:1]
Cc1noc(C)c1S(=O)(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C Cc1noc(C)c1[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NS(=O)(=O)[*:1]
COc1ccc([C@@H]2CN(C(=O)c3cc(=O)[nH]c([O-])n3)C[C@H]2NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cc(=O)[nH]c([O-])n1
COc1ccc([C@@H]2CN(C(=O)c3cc(=O)[nH]c([O-])n3)C[C@H]2NC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@@H]1CN(C[C@H]1[*:1])C(=O)c1cc(=O)[nH]c([O-])n1
C[C@@H](NC(=O)N(C)C1CCOCC1)c1ccc(Cl)cc1Cl C1CC(CCO1)[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccc(Cl)cc1Cl
CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1 CS(=O)(=O)[*:1] O=C(NNC(=O)c1ccccc1Cl)c1ccc(cc1)C[*:1]
CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)NNC(=O)[*:1]
CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1 CS(=O)(=O)C[*:1] O=C(NNC(=O)c1ccccc1Cl)c1ccc(cc1)[*:1]
Fc1ccccc1CSc1nc(-c2ccccc2Br)n[nH]1 Brc1ccccc1[*:1] Fc1ccccc1CSc1nc(n[nH]1)[*:1]
Fc1ccccc1CSc1nc(-c2ccccc2Br)n[nH]1 Fc1ccccc1[*:1] Brc1ccccc1-c1n[nH]c(n1)SC[*:1]
CC(C)SCc1cccc(NC(=O)N[C@@H]2CCOC2)c1 CC(C)SC[*:1] O=C(Nc1cccc(c1)[*:1])N[C@@H]1CCOC1
CC(C)SCc1cccc(NC(=O)N[C@@H]2CCOC2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)CS[*:1])N[C@@H]1CCOC1
CC(C)SCc1cccc(NC(=O)N[C@@H]2CCOC2)c1 CC(C)S[*:1] O=C(Nc1cccc(c1)C[*:1])N[C@@H]1CCOC1
CC(C)SCc1cccc(NC(=O)N[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] CC(C)SCc1cccc(c1)NC(=O)N[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cccc(OC3CCCC3)c2)C1 C1CCC(C1)O[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cccc(OC3CCCC3)c2)C1 C1CCC(C1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)O[*:1]
Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c21 Cc1ccccc1[*:1] N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1[*:1]
Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c21 Clc1ccc(cc1)[*:1] Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(c21)[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(N(C)C)c1 CN(C)[*:1] C[C@@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)c1cccc(c1)[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(N(C)C)c1 c1ncn(n1)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)c1cccc(c1)N(C)C
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1csc2ccccc12 c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])c1csc2ccccc12
CC(=O)N(C)C1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 CC(=O)N(C)[*:1] C[C@H](NC(=O)N1CCC(CC1)[*:1])C(C)(C)C[NH+](C)C
CCC(CC)N(CC(F)(F)F)C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CCC(CC)N(C[*:1])C(=O)[C@](C)(N)C(F)(F)F
CCC(CC)N(CC(F)(F)F)C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CCC(CC)N(CC(F)(F)F)C(=O)[C@](C)(N)[*:1]
CCC(CC)N(CC(F)(F)F)C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)C[*:1] CCC(CC)N(C(=O)[C@](C)(N)C(F)(F)F)[*:1]
CCC(CC)N(CC(F)(F)F)C(=O)[C@](C)(N)C(F)(F)F CCC(CC)[*:1] C[C@](N)(C(=O)N(CC(F)(F)F)[*:1])C(F)(F)F
Cc1nn(C(C)C)c(C)c1NC(=O)NCC[S@@](=O)C(C)(C)C CC(C)(C)[*:1] Cc1nn(c(C)c1NC(=O)NCC[S@@](=O)[*:1])C(C)C
Cc1nn(C(C)C)c(C)c1NC(=O)NCC[S@@](=O)C(C)(C)C CC(C)[*:1] Cc1nn(c(C)c1NC(=O)NCC[S@@](=O)C(C)(C)C)[*:1]
C[C@@H]1CCC[C@H](N2CNC(=NS(=O)(=O)c3ccc(F)cc3)NC2)[C@@H]1C Fc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H]([C@@H]1C)N1CNC(=NS(=O)(=O)[*:1])NC1
CC(C)c1n[nH]c2c1[C@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 CC(C)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@@H]1c1ccc(F)c(Br)c1)[*:1]
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[*:1]
CC[C@]1(C2CC2)C[NH+]=C(N)N1c1ccc(OC)cc1 C1CC1[*:1] CC[C@@]1(C[NH+]=C(N)N1c1ccc(cc1)OC)[*:1]
O=c1/c(=C\c2ccc(F)cc2)sc2nc(-c3ccc(Br)cc3)nn12 Fc1ccc(cc1)[*:1] O=c1c(=C[*:1])sc2nc(nn12)-c1ccc(Br)cc1
O=c1/c(=C\c2ccc(F)cc2)sc2nc(-c3ccc(Br)cc3)nn12 Brc1ccc(cc1)[*:1] O=c1/c(=C\c2ccc(F)cc2)sc2nc(nn12)[*:1]
CCN(C(=O)[C@H](C)Nc1ccc(CO)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@H](C)Nc1ccc(cc1)CO)[*:1]
C/C=C/C=C/C(=O)N1CCN(c2cccc(C)c2C)CC1 CC=C[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)C=C[*:1]
C/C=C/C=C/C(=O)N1CCN(c2cccc(C)c2C)CC1 C/C=C/C=C[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)[*:1]
CN(C)/C=N\c1c(C#N)nnn1Cc1ccccc1 c1ccc(cc1)[*:1] CN(C)/C=N\c1c(C#N)nnn1C[*:1]
CN(C)/C=N\c1c(C#N)nnn1Cc1ccccc1 CN(C)C=N[*:1] N#Cc1nnn(Cc2ccccc2)c1[*:1]
Cc1cc2nc(-c3cccc(NC(=O)C(C)C)c3)oc2cc1C CC(C)[*:1] Cc1cc2nc(oc2cc1C)-c1cccc(c1)NC(=O)[*:1]
Cc1cc2nc(-c3cccc(NC(=O)C(C)C)c3)oc2cc1C CC(C)C(=O)N[*:1] Cc1cc2nc(oc2cc1C)-c1cccc(c1)[*:1]
CN(CC(=O)Nc1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl c1ccc(cc1)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F
CN(CC(=O)Nc1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] CN(CC(=O)Nc1ccccc1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
C/C(=C\c1sc(Cl)nc1Cl)C[NH2+]C1CC1 C1CC1[*:1] C/C(=C\c1sc(Cl)nc1Cl)C[NH2+][*:1]
CCOc1ccccc1N/C(=C\C(=O)OC)C(=O)NC CCO[*:1] CNC(=O)/C(=C/C(=O)OC)Nc1ccccc1[*:1]
CCOc1ccccc1N/C(=C\C(=O)OC)C(=O)NC COC(=O)[*:1] CCOc1ccccc1NC(=C[*:1])C(=O)NC
CCOc1ccccc1N/C(=C\C(=O)OC)C(=O)NC CNC(=O)[*:1] CCOc1ccccc1N/C(=C\C(=O)OC)[*:1]
O=C1CCc2cc(OCC[NH2+]Cc3ccc(Cl)o3)ccc2N1 Clc1ccc(o1)[*:1] O=C1CCc2cc(ccc2N1)OCC[NH2+]C[*:1]
CC[C@@H](NC(=O)[C@@H]1CSC(=O)N1)c1nccs1 c1csc(n1)[*:1] CC[C@@H](NC(=O)[C@@H]1CSC(=O)N1)[*:1]
Cc1ccc(OCC(=O)N(C)CCS(C)(=O)=O)cc1C CS(=O)(=O)C[*:1] Cc1ccc(cc1C)OCC(=O)N(C)C[*:1]
Cc1ccc(OCC(=O)N(C)CCS(C)(=O)=O)cc1C CS(=O)(=O)[*:1] Cc1ccc(cc1C)OCC(=O)N(C)CC[*:1]
Cc1ccc(OCC(=O)N(C)CCS(C)(=O)=O)cc1C CS(=O)(=O)CC[*:1] Cc1ccc(cc1C)OCC(=O)N(C)[*:1]
O=C(CNC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)NC1CC1 C1CC1[*:1] O=C(CNC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)N[*:1]
O=C(CNC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)NC1CC1 O=C(NC1CC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
O=C(CNC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N[*:1]
C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 c1ccc(cc1)[*:1] C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(C(=O)[C@@H]12)c1ccc(cc1)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(C)c1Cl CCS(=O)(=O)[*:1] Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[*:1])c1Cl
CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(C)c1Cl CCS(=O)(=O)C[*:1] Cc1cccc(NC(=O)C(=O)N[C@@H](C)[*:1])c1Cl
Cc1cc(C)c(-c2ncc[nH]2)cc1Cn1cncn1 c1ncn(n1)[*:1] Cc1cc(C)c(cc1C[*:1])-c1ncc[nH]1
Cc1cc(C)c(-c2ncc[nH]2)cc1Cn1cncn1 c1c[nH]c(n1)[*:1] Cc1cc(C)c(cc1Cn1cncn1)[*:1]
Cc1cc(C)c(-c2ncc[nH]2)cc1Cn1cncn1 c1ncn(C[*:1])n1 Cc1cc(C)c(cc1-c1ncc[nH]1)[*:1]
CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1cccnc1)[C@]21C(=O)Nc2ccccc21 O=C(c1cccnc1)[*:1] CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H]([C@]21C(=O)Nc2ccccc21)[*:1]
CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1cccnc1)[C@]21C(=O)Nc2ccccc21 CC(C)(C)[*:1] CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)[*:1])[C@@H](C(=O)c1cccnc1)[C@]21C(=O)Nc2ccccc21
CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1cccnc1)[C@]21C(=O)Nc2ccccc21 c1cncc(c1)[*:1] CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)[*:1])[C@]21C(=O)Nc2ccccc21
CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1cccnc1)[C@]21C(=O)Nc2ccccc21 CC(C)(C)C(=O)[*:1] CC1=C[C@@H]2N(c3ccccc31)[C@H]([C@@H](C(=O)c1cccnc1)[C@]21C(=O)Nc2ccccc21)[*:1]
C[C@@H](O)COS(C)(=O)=O C[C@@H](O)[*:1] CS(=O)(=O)OC[*:1]
C[C@@H](NC(=O)[C@@H]1C[N+](C2CCCCC2)=C[C@H](C(=O)NC(C)(C)C)C1=O)c1nc2ccccc2[nH]1 CC(C)(C)[*:1] C[C@@H](NC(=O)[C@@H]1C[N+](=C[C@H](C(=O)N[*:1])C1=O)C1CCCCC1)c1nc2ccccc2[nH]1
C[C@@H](NC(=O)[C@@H]1C[N+](C2CCCCC2)=C[C@H](C(=O)NC(C)(C)C)C1=O)c1nc2ccccc2[nH]1 CC(C)(C)NC(=O)[*:1] C[C@@H](NC(=O)[C@@H]1C[N+](=C[C@H](C1=O)[*:1])C1CCCCC1)c1nc2ccccc2[nH]1
C[C@@H](NC(=O)[C@@H]1C[N+](C2CCCCC2)=C[C@H](C(=O)NC(C)(C)C)C1=O)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] C[C@@H](NC(=O)[C@@H]1C[N+](=C[C@H](C(=O)NC(C)(C)C)C1=O)C1CCCCC1)[*:1]
C[C@@H](NC(=O)[C@@H]1C[N+](C2CCCCC2)=C[C@H](C(=O)NC(C)(C)C)C1=O)c1nc2ccccc2[nH]1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)[C@@H]1C[N+](=C[C@H](C(=O)NC(C)(C)C)C1=O)[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)[C@@H]1C[N+](C2CCCCC2)=C[C@H](C(=O)NC(C)(C)C)C1=O)c1nc2ccccc2[nH]1 C[C@@H](c1nc2ccccc2[nH]1)[*:1] CC(C)(C)NC(=O)[C@H]1C=[N+](C[C@@H](C(=O)N[*:1])C1=O)C1CCCCC1
Cc1ccc(CNC(=O)C(=O)Nc2cccc(C(C)C)c2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)C(=O)Nc2cccc(c2)C(C)C)c(c1)[*:1]
Cc1ccc(CNC(=O)C(=O)Nc2cccc(C(C)C)c2)c(N(C)C)c1 CC(C)[*:1] Cc1ccc(CNC(=O)C(=O)Nc2cccc(c2)[*:1])c(c1)N(C)C
CC[C@@H](NS(=O)(=O)c1cc(Cl)sc1Cl)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H](NS(=O)(=O)c1cc(Cl)sc1Cl)[*:1]
COCc1ccccc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 COCc1ccccc1[*:1] O=C(Nc1cccc(c1)CNC(=O)[*:1])c1cccc(F)c1
COCc1ccccc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COCc1ccccc1C(=O)NCc1cccc(c1)NC(=O)[*:1]
COCc1ccccc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1 COC[*:1] O=C(Nc1cccc(c1)CNC(=O)c1ccccc1[*:1])c1cccc(F)c1
CCC/C(=N\CCC1=c2cc(C)ccc2=[NH+][C@@H]1C)C1=C([O-])CCCC1=O CCC[*:1] Cc1ccc2=[NH+][C@H](C)C(CC/N=C(/C3C(=O)CCCC=3[O-])[*:1])=c2c1
C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 C(=C[*:1])c1ccccc1 C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CCN(CC1)C[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CCN(CC=C[*:1])CC1
CCc1ccc(C(=O)Nc2ccccc2OC)cc1S(=O)(=O)N1CCOCC1 COc1ccccc1[*:1] CCc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[*:1]
CCc1ccc(C(=O)Nc2ccccc2OC)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] CCc1ccc(cc1[*:1])C(=O)Nc1ccccc1OC
COc1ccc2[nH]c(C(=O)NC[C@H]3CCCO3)cc2c1 C1CO[C@H](C1)C[*:1] COc1ccc2[nH]c(cc2c1)C(=O)N[*:1]
COc1ccc2[nH]c(C(=O)NC[C@H]3CCCO3)cc2c1 C1CO[C@H](C1)[*:1] COc1ccc2[nH]c(cc2c1)C(=O)NC[*:1]
COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)c1 CN(C)[*:1] COc1cccc(c1)-c1cnc(nc1[C@H]1CCCN(C1)C(=O)c1ccc(=O)n(C)n1)[*:1]
COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)c1 COc1cccc(c1)[*:1] CN(C)c1ncc(c(n1)[C@H]1CCCN(C1)C(=O)c1ccc(=O)n(C)n1)[*:1]
COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)c1 Cn1nc(ccc1=O)[*:1] COc1cccc(c1)-c1cnc(nc1[C@H]1CCCN(C1)C(=O)[*:1])N(C)C
COCC[NH2+][C@H](C)[C@H](C)Cc1cc(C)nn1C COC[*:1] Cc1cc(C[C@@H](C)[C@@H](C)[NH2+]C[*:1])n(C)n1
COCC[NH2+][C@H](C)[C@H](C)Cc1cc(C)nn1C COCC[*:1] Cc1cc(C[C@@H](C)[C@@H](C)[NH2+][*:1])n(C)n1
O=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1CC(F)(F)F O=[N+]([O-])[*:1] O=C1c2ccccc2N[C@@H](c2ccccc2[*:1])N1CC(F)(F)F
O=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1CC(F)(F)F FC(F)(F)[*:1] O=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1C[*:1]
O=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1CC(F)(F)F FC(F)(F)C[*:1] O=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1[*:1]
CCn1c(SCC(=O)N(C)C[C@@H]2COc3ccccc3O2)nnc1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N(C)C[C@@H]1COc2ccccc2O1
C[C@H](O)[C@@H](C)S[C@H](C(N)=O)c1ccccc1 NC(=O)[*:1] C[C@H](O)[C@@H](C)S[C@H](c1ccccc1)[*:1]
C[C@H](O)[C@@H](C)S[C@H](C(N)=O)c1ccccc1 C[C@H](O)[*:1] C[C@@H](S[C@H](C(N)=O)c1ccccc1)[*:1]
COC(=O)C[C@H](C)NC(=O)Nc1c(F)cc(Br)cc1F COC(=O)C[*:1] C[C@H](NC(=O)Nc1c(F)cc(Br)cc1F)[*:1]
COC(=O)C[C@H](C)NC(=O)Nc1c(F)cc(Br)cc1F COC(=O)[*:1] C[C@@H](C[*:1])NC(=O)Nc1c(F)cc(Br)cc1F
O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)[C@H]1C[C@H]1[*:1]
COC(=O)c1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)CC(C)C COC(=O)c1ccccc1[*:1] CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)N[*:1]
COC(=O)c1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)CC(C)C CC(C)[*:1] COC(=O)c1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)C[*:1]
COC(=O)c1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)CC(C)C CC(C)C[*:1] COC(=O)c1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)[*:1]
COC(=O)c1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)CC(C)C COC(=O)[*:1] CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1[*:1]
c1ccc(-c2cc(NCc3ccncc3)nc(-c3ccccn3)n2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)-c1nc(cc(n1)[*:1])NCc1ccncc1
c1ccc(-c2cc(NCc3ccncc3)nc(-c3ccccn3)n2)cc1 c1cc(ccn1)[*:1] c1ccc(cc1)-c1cc(nc(n1)-c1ccccn1)NC[*:1]
c1ccc(-c2cc(NCc3ccncc3)nc(-c3ccccn3)n2)cc1 c1cc(ccn1)CN[*:1] c1ccc(cc1)-c1cc(nc(n1)-c1ccccn1)[*:1]
c1ccc(-c2cc(NCc3ccncc3)nc(-c3ccccn3)n2)cc1 c1cc(ccn1)C[*:1] c1ccc(cc1)-c1cc(nc(n1)-c1ccccn1)N[*:1]
c1ccc(-c2cc(NCc3ccncc3)nc(-c3ccccn3)n2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)-c1cc(nc(n1)[*:1])NCc1ccncc1
CCOC(=O)c1csc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)n1 FC(F)(F)[*:1] CCOC(=O)c1csc(n1)[N-]S(=O)(=O)c1ccc(C)c(c1)[*:1]
CCOC(=O)c1csc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)n1 CCOC(=O)[*:1] Cc1ccc(cc1C(F)(F)F)S(=O)(=O)[N-]c1nc(cs1)[*:1]
Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2ccc(Br)cc2F)c(C)n1C Fc1cc(Br)ccc1[*:1] Cc1c(C(=O)N2CCCCC2)c(c(C)n1C)S(=O)(=O)N[*:1]
Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2ccc(Br)cc2F)c(C)n1C O=C(N1CCCCC1)[*:1] Cc1c(c(c(C)n1C)[*:1])S(=O)(=O)Nc1ccc(Br)cc1F
CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 Clc1cccc(c1)C[*:1] CN1CCN(CC1)C(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 Clc1cccc(c1)[*:1] CN1CCN(CC1)C(=O)[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
C[C@H]1Oc2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)cc2NC1=O c1ccc(cc1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(C)Cc1ccco1 c1coc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(C)C[*:1]
Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(C)Cc1ccco1 Cc1c(Cl)cccc1[*:1] CN(Cc1ccco1)C(=O)NCCC(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(C)Cc1ccco1 c1coc(c1)C[*:1] Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(C)[*:1]
Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 Cc1c(Cl)cccc1[*:1] O=C(N[*:1])c1cc(on1)-c1ccc2OCOc2c1
Brc1cccc(C[NH+]2CCC(CN3CCOCC3)CC2)c1 Brc1cccc(c1)[*:1] C1CN(CCO1)CC1CC[NH+](CC1)C[*:1]
Brc1cccc(C[NH+]2CCC(CN3CCOCC3)CC2)c1 C1CN(CCO1)[*:1] Brc1cccc(c1)C[NH+]1CCC(CC1)C[*:1]
Brc1cccc(C[NH+]2CCC(CN3CCOCC3)CC2)c1 C1CN(CCO1)C[*:1] Brc1cccc(c1)C[NH+]1CCC(CC1)[*:1]
Cc1c(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(=O)n(CC(C)C)c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(c(=O)n(CC(C)C)c(=O)n1[*:1])N1CCC(CC1)C(=O)Nc1ccc(F)cc1
Cc1c(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(=O)n(CC(C)C)c(=O)n1-c1ccccc1 CC(C)C[*:1] Cc1c(c(=O)n(c(=O)n1-c1ccccc1)[*:1])N1CCC(CC1)C(=O)Nc1ccc(F)cc1
Cc1c(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(=O)n(CC(C)C)c(=O)n1-c1ccccc1 CC(C)[*:1] Cc1c(c(=O)n(C[*:1])c(=O)n1-c1ccccc1)N1CCC(CC1)C(=O)Nc1ccc(F)cc1
Cc1c(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(=O)n(CC(C)C)c(=O)n1-c1ccccc1 Fc1ccc(cc1)[*:1] Cc1c(c(=O)n(CC(C)C)c(=O)n1-c1ccccc1)N1CCC(CC1)C(=O)N[*:1]
Cc1c(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(=O)n(CC(C)C)c(=O)n1-c1ccccc1 O=C(Nc1ccc(F)cc1)[*:1] Cc1c(c(=O)n(CC(C)C)c(=O)n1-c1ccccc1)N1CCC(CC1)[*:1]
O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)NC[C@H]1COc2ccccc2C1 FC(F)(F)[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)NC[C@H]1COc2ccccc2C1
O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)NC[C@H]1COc2ccccc2C1 FC(F)(F)C[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)NC[C@H]1COc2ccccc2C1
O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)NC[C@H]1COc2ccccc2C1 O=C(NCC(F)(F)F)[*:1] O=C(NC[C@H]1COc2ccccc2C1)N1CCC[C@H]1[*:1]
CC(C)NC(=O)CN1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC1 CC(C)NC(=O)[*:1] O=C(Nc1ccc(F)c(F)c1F)N1CCN(CC1)C[*:1]
CC(C)NC(=O)CN1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)C(=O)Nc1ccc(F)c(F)c1F)N[*:1]
CC(C)NC(=O)CN1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC1 CC(C)NC(=O)C[*:1] O=C(Nc1ccc(F)c(F)c1F)N1CCN(CC1)[*:1]
CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1cccnc1)c1ccccc1O2 O=C(N[*:1])c1cccnc1 CN1CC[C@@]2(CCC1=O)C[C@@H](c1ccccc1O2)[*:1]
CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1cccnc1)c1ccccc1O2 c1cncc(c1)[*:1] CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)[*:1])c1ccccc1O2
Cc1ccc(OCc2nnc(SCc3cc(-c4ccccc4)no3)o2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OCc1nnc(o1)SCc1cc(no1)[*:1]
Cc1ccc(OCc2nnc(SCc3cc(-c4ccccc4)no3)o2)cc1 Cc1ccc(cc1)[*:1] c1ccc(cc1)-c1cc(CSc2nnc(CO[*:1])o2)on1
Cc1ccc(OCc2nnc(SCc3cc(-c4ccccc4)no3)o2)cc1 Cc1ccc(cc1)OC[*:1] c1ccc(cc1)-c1cc(CSc2nnc(o2)[*:1])on1
Cc1ccc(OCc2nnc(SCc3cc(-c4ccccc4)no3)o2)cc1 Cc1ccc(cc1)O[*:1] c1ccc(cc1)-c1cc(CSc2nnc(C[*:1])o2)on1
CC[NH+]1CCN(C(=O)c2ccc(OCc3nnc(C(=O)Nc4ccc(F)c(F)c4)s3)cc2)CC1 Fc1ccc(cc1F)[*:1] CC[NH+]1CCN(CC1)C(=O)c1ccc(cc1)OCc1nnc(s1)C(=O)N[*:1]
CC[NH+]1CCN(C(=O)c2ccc(OCc3nnc(C(=O)Nc4ccc(F)c(F)c4)s3)cc2)CC1 O=C(Nc1ccc(F)c(F)c1)[*:1] CC[NH+]1CCN(CC1)C(=O)c1ccc(cc1)OCc1nnc(s1)[*:1]
CC(=O)Nc1ccccc1OCC[C@@H]1CO1 C1O[C@@H]1[*:1] CC(=O)Nc1ccccc1OCC[*:1]
CC(=O)Nc1ccccc1OCC[C@@H]1CO1 CC(=O)N[*:1] c1ccc(c(c1)OCC[C@@H]1CO1)[*:1]
CC(=O)Nc1ccccc1OCC[C@@H]1CO1 C1O[C@@H]1C[*:1] CC(=O)Nc1ccccc1OC[*:1]
CC(=O)Nc1ccccc1OCC[C@@H]1CO1 C(C[*:1])[C@@H]1CO1 CC(=O)Nc1ccccc1O[*:1]
COc1ccc([C@@H](O)[C@H](C)N[C@H](C)c2cnc(C)s2)cc1 Cc1ncc(s1)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)N[C@H](C)[*:1]
CO[C@@H](C)C(=O)NNc1ccccc1C(F)(F)F FC(F)(F)[*:1] CO[C@@H](C)C(=O)NNc1ccccc1[*:1]
CO[C@@H](C)C(=O)NNc1ccccc1C(F)(F)F CO[C@@H](C)[*:1] O=C(NNc1ccccc1C(F)(F)F)[*:1]
COC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1 c1csc(c1)[*:1] COC(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
COC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1 COC(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@@H]1c1cccs1
Cc1nc(SCC(=O)N[C@H]2SC3=C(CCCC3)[C@@H]2C(N)=O)[nH]c(=O)c1CCO NC(=O)[*:1] Cc1nc([nH]c(=O)c1CCO)SCC(=O)N[C@H]1SC2CCCCC=2[C@H]1[*:1]
Cc1nc(SCC(=O)N[C@H]2SC3=C(CCCC3)[C@@H]2C(N)=O)[nH]c(=O)c1CCO OCC[*:1] Cc1nc([nH]c(=O)c1[*:1])SCC(=O)N[C@H]1SC2CCCCC=2[C@@H]1C(N)=O
CCOc1ccc([C@@H](C[N+](=O)[O-])c2c([O-])[nH]c(=O)[nH]c2=O)cc1 CCO[*:1] O=c1[nH]c([O-])c(c(=O)[nH]1)[C@H](C[N+](=O)[O-])c1ccc(cc1)[*:1]
CCOc1ccc([C@@H](C[N+](=O)[O-])c2c([O-])[nH]c(=O)[nH]c2=O)cc1 O=[N+]([O-])C[*:1] CCOc1ccc(cc1)[C@@H](c1c([O-])[nH]c(=O)[nH]c1=O)[*:1]
CCOc1ccc([C@@H](C[N+](=O)[O-])c2c([O-])[nH]c(=O)[nH]c2=O)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)[C@@H](C[*:1])c1c([O-])[nH]c(=O)[nH]c1=O
C=C(C)C[C@@H]1C[C@@H](CC)CC[NH2+]1 C=C(C)[*:1] CC[C@H]1CC[NH2+][C@@H](C1)C[*:1]
C=C(C)C[C@@H]1C[C@@H](CC)CC[NH2+]1 C=C(C)C[*:1] CC[C@H]1CC[NH2+][C@@H](C1)[*:1]
Cc1ccc([C@H](C)NC(=S)Nc2ccc(C)c(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=S)N[C@@H](C)[*:1]
Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@H](C)C1CCCCC1 CC(C)NC(=O)C[*:1] Cc1cc(=O)n(c(C)c1C(=O)N[C@H](C)C1CCCCC1)[*:1]
Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@H](C)C1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@H](C)[*:1]
Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@H](C)C1CCCCC1 CC(C)NC(=O)[*:1] Cc1cc(=O)n(C[*:1])c(C)c1C(=O)N[C@H](C)C1CCCCC1
Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@H](C)C1CCCCC1 C[C@H](C1CCCCC1)[*:1] Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[*:1]
Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@H](C)C1CCCCC1 CC(C)[*:1] Cc1cc(=O)n(CC(=O)N[*:1])c(C)c1C(=O)N[C@H](C)C1CCCCC1
COc1cccc(/C(C)=C/C(=O)NC[C@H](O)C2CCOCC2)c1 C1CC(CCO1)[*:1] COc1cccc(c1)/C(C)=C/C(=O)NC[C@H](O)[*:1]
Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccccc3)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN(CCc1noc(n1)-c1ccccc1)C(=O)N[*:1]
Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccccc3)n2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)N(C)CCc2noc(n2)[*:1])c(C)c1
O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)N1CCN(CC1)C(=O)[*:1]
O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCN(C(=O)C2CCCCC2)CC1 C1CC1[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)C(=O)C1CCCCC1
Cc1[nH+]cn(C[C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1C Fc1cc(ccc1Cl)[*:1] Cc1[nH+]cn(C[C@@H](C)[NH2+][C@H]2CCN(C2=O)[*:1])c1C
O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCN(c2cc[nH+]cc2)CC1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)COC[*:1])N1CCN(CC1)c1cc[nH+]cc1
O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCN(c2cc[nH+]cc2)CC1 FC(F)(F)COC[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCN(CC1)c1cc[nH+]cc1
O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCN(c2cc[nH+]cc2)CC1 FC(F)(F)CO[*:1] O=C(NCc1ccc(cc1)C[*:1])N1CCN(CC1)c1cc[nH+]cc1
O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCN(c2cc[nH+]cc2)CC1 FC(F)(F)C[*:1] O=C(NCc1ccc(cc1)CO[*:1])N1CCN(CC1)c1cc[nH+]cc1
CC(C)[C@H](C)CC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 CC(C)[C@H](C)C[*:1] C[C@@H]1CN(Cc2ccccc2NC(=O)[*:1])C[C@@H](C)O1
CC(C)[C@H](C)CC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 CC(C)[C@H](C)[*:1] C[C@@H]1CN(Cc2ccccc2NC(=O)C[*:1])C[C@@H](C)O1
CC(C)[C@H](C)CC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 CC(C)[*:1] C[C@@H]1CN(Cc2ccccc2NC(=O)C[C@@H](C)[*:1])C[C@@H](C)O1
CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@H](C)c1cc(C)oc1C CCN(CC)C(=O)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)N1CCC[C@@H]1[*:1]
CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@H](C)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@H](C)[*:1]
Cc1nc(NC[C@H]2COCCO2)cc(C2CC[NH2+]CC2)n1 C1CO[C@H](CO1)C[*:1] Cc1nc(cc(n1)C1CC[NH2+]CC1)N[*:1]
Cc1nc(NC[C@H]2COCCO2)cc(C2CC[NH2+]CC2)n1 C1CO[C@H](CO1)[*:1] Cc1nc(cc(n1)C1CC[NH2+]CC1)NC[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3C)CC2)nc1 Cc1ccccc1[*:1] Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3C)CC2)nc1 Cc1ccc(nc1)[*:1] Cc1ccccc1NC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc(N2CCCCC2)n1 Clc1cccc(c1)[*:1] Cc1cc(nc(n1)N1CCCCC1)N1CCN(CC1)C(=O)N[*:1]
Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc(N2CCCCC2)n1 C1CCN(CC1)[*:1] Cc1cc(nc(n1)[*:1])N1CCN(CC1)C(=O)Nc1cccc(Cl)c1
Cc1cnc(SC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1Cl CC(C)(C)[*:1] Cc1cnc(nc1Cl)SC[C@@H]1CCCN(C1)C(=O)O[*:1]
Cc1nc(-c2cccc(N3C[C@H](C(=O)[O-])CC3=O)c2)no1 Cc1nc(no1)[*:1] O=C([O-])[C@@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
Cc1nc(-c2cccc(N3C[C@H](C(=O)[O-])CC3=O)c2)no1 O=C([O-])[*:1] Cc1nc(no1)-c1cccc(c1)N1C[C@H](CC1=O)[*:1]
COc1ccccc1OCC(=O)N1CCC[C@H](CCC(=O)N2CC[NH+](C)CC2)C1 COc1ccccc1O[*:1] C[NH+]1CCN(CC1)C(=O)CC[C@H]1CCCN(C1)C(=O)C[*:1]
COc1ccccc1OCC(=O)N1CCC[C@H](CCC(=O)N2CC[NH+](C)CC2)C1 COc1ccccc1[*:1] C[NH+]1CCN(CC1)C(=O)CC[C@H]1CCCN(C1)C(=O)CO[*:1]
C[C@H](O)CCC(=O)N1CCC2(CC1)NC(=O)NC2=O C[C@H](O)[*:1] O=C1NC(=O)C2(CCN(CC2)C(=O)CC[*:1])N1
C[C@H](O)CCC(=O)N1CCC2(CC1)NC(=O)NC2=O C[C@H](O)C[*:1] O=C1NC(=O)C2(CCN(CC2)C(=O)C[*:1])N1
C[C@H](O)CCC(=O)N1CCC2(CC1)NC(=O)NC2=O C[C@H](O)CC[*:1] O=C1NC(=O)C2(CCN(CC2)C(=O)[*:1])N1
C=CCNC(=O)C[NH2+]C1CC1 C=CC[*:1] O=C(C[NH2+]C1CC1)N[*:1]
C=CCNC(=O)C[NH2+]C1CC1 C1CC1[*:1] C=CCNC(=O)C[NH2+][*:1]
CCC(CC)c1nnc(NC(=O)c2cc(F)ccc2Br)s1 CCC(CC)[*:1] O=C(Nc1nnc(s1)[*:1])c1cc(F)ccc1Br
C[C@H](c1ccccn1)[C@H](O)c1coc2ccccc12 c1ccc(nc1)[*:1] C[C@H]([C@H](O)c1coc2ccccc12)[*:1]
CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccs1 CN(C)S(=O)(=O)[*:1] CCNc1ccc(cc1NC(=O)c1cccs1)[*:1]
CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccs1 CCN[*:1] CN(C)S(=O)(=O)c1ccc(c(c1)NC(=O)c1cccs1)[*:1]
CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccs1 c1csc(c1)[*:1] CCNc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N(C)C
COCc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 COC[*:1] O=C(NCc1cccc(c1)NC(=O)C1CCCC1)c1ccccc1[*:1]
COCc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 O=C(N[*:1])C1CCCC1 COCc1ccccc1C(=O)NCc1cccc(c1)[*:1]
COCc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 C1CCC(C1)[*:1] COCc1ccccc1C(=O)NCc1cccc(c1)NC(=O)[*:1]
COCc1ccccc1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 COCc1ccccc1[*:1] O=C(Nc1cccc(c1)CNC(=O)[*:1])C1CCCC1
O=C(c1ccc(Br)cc1F)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(c1ccc(Br)cc1F)N1CCN(CC1)[*:1]
O=C(c1ccc(Br)cc1F)N1CCN(CCc2ccccc2)CC1 Fc1cc(Br)ccc1[*:1] O=C(N1CCN(CCc2ccccc2)CC1)[*:1]
O=C(c1ccc(Br)cc1F)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(Br)cc1F)N1CCN(CC1)CC[*:1]
O=C(c1ccc(Br)cc1F)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(Br)cc1F)N1CCN(CC1)C[*:1]
COc1ccccc1-c1nc(SC2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 C1CCC(C1)[*:1] COc1ccccc1-c1nc(S[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
COc1ccccc1-c1nc(SC2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 COc1ccccc1[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)[*:1])SC1CCCC1
COc1ccccc1-c1nc(SC2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 C1CCC(C1)S[*:1] COc1ccccc1-c1nc(c2c(=O)n(C)c(=O)n(C)c2n1)[*:1]
O[C@@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NN1c1nc(-c2ccccn2)cs1 c1ccc(nc1)[*:1] O[C@]1(CC(=NN1c1nc(cs1)[*:1])c1ccc(F)cc1)C(F)(F)F
O[C@@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NN1c1nc(-c2ccccn2)cs1 FC(F)(F)[*:1] O[C@]1(CC(=NN1c1nc(cs1)-c1ccccn1)c1ccc(F)cc1)[*:1]
O[C@@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NN1c1nc(-c2ccccn2)cs1 Fc1ccc(cc1)[*:1] O[C@]1(CC(=NN1c1nc(cs1)-c1ccccn1)[*:1])C(F)(F)F
COC(=O)[C@H](NC(=O)c1ccccc1OC)c1ccc(F)cc1F COc1ccccc1[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(F)cc1F
COC(=O)[C@H](NC(=O)c1ccccc1OC)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)[C@H](NC(=O)c1ccccc1OC)[*:1]
COC(=O)[C@H](NC(=O)c1ccccc1OC)c1ccc(F)cc1F COC(=O)[*:1] COc1ccccc1C(=O)N[C@H](c1ccc(F)cc1F)[*:1]
COCCOC(=O)COc1nn(C)c2nc(C)cc(C)c12 COCC[*:1] Cc1cc(C)c2c(nn(C)c2n1)OCC(=O)O[*:1]
COCCOC(=O)COc1nn(C)c2nc(C)cc(C)c12 COC[*:1] Cc1cc(C)c2c(nn(C)c2n1)OCC(=O)OC[*:1]
COCCOC(=O)COc1nn(C)c2nc(C)cc(C)c12 COCCOC(=O)[*:1] Cc1cc(C)c2c(nn(C)c2n1)OC[*:1]
COC(=O)c1ccc(F)c(NC(=O)CCCn2cnc3c(C)cccc3c2=O)c1 COC(=O)[*:1] Cc1cccc2c(=O)n(cnc12)CCCC(=O)Nc1cc(ccc1F)[*:1]
CCNC(=O)N1CCN(CCC(=O)OC)C[C@H]1C COC(=O)C[*:1] CCNC(=O)N1CCN(C[C@H]1C)C[*:1]
CCNC(=O)N1CCN(CCC(=O)OC)C[C@H]1C COC(=O)CC[*:1] CCNC(=O)N1CCN(C[C@H]1C)[*:1]
CCNC(=O)N1CCN(CCC(=O)OC)C[C@H]1C COC(=O)[*:1] CCNC(=O)N1CCN(CC[*:1])C[C@H]1C
Cc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C Cc1cc(Cl)ccc1[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1ccccc1
CN1C(=O)[C@@H](/C=N/C2CCCCC2)C(=O)NC1=S C1CCC(CC1)[*:1] CN1C(=O)[C@@H](C=N[*:1])C(=O)NC1=S
COc1ccc2nc(NC(=O)CSc3nccn3C)sc2c1 Cn1ccnc1[*:1] COc1ccc2nc(NC(=O)CS[*:1])sc2c1
COc1ccc2nc(NC(=O)CSc3nccn3C)sc2c1 Cn1ccnc1S[*:1] COc1ccc2nc(NC(=O)C[*:1])sc2c1
NC(=O)C1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 NC(=O)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC(CC1)[*:1]
C[C@H]1CN(c2cc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)ncn2)C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)SCC(=O)Nc1ccc(cc1)[*:1]
C[C@H]1CN(c2cc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)ncn2)C[C@@H](C)O1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)SCC(=O)N[*:1]
CS(=O)(=O)[C@@H](C#N)[C@@H]1CCC[NH2+]1 CS(=O)(=O)[*:1] N#C[C@@H]([C@@H]1CCC[NH2+]1)[*:1]
COC(C)(C)C[C@H](C)NC(=O)NCC(C)(C)c1ccncc1 COC(C)(C)[*:1] C[C@@H](C[*:1])NC(=O)NCC(C)(C)c1ccncc1
COC(C)(C)C[C@H](C)NC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] COC(C)(C)C[C@H](C)NC(=O)NCC(C)(C)[*:1]
COC(C)(C)C[C@H](C)NC(=O)NCC(C)(C)c1ccncc1 COC(C)(C)C[*:1] C[C@H](NC(=O)NCC(C)(C)c1ccncc1)[*:1]
Cc1c(C)c2ccc(NC(=O)c3ccc(C#N)cc3)cc2[nH]c1=O N#Cc1ccc(cc1)[*:1] Cc1c(C)c2ccc(cc2[nH]c1=O)NC(=O)[*:1]
Cc1cnc2[nH]c(C(C)C)c(CN3CCN(C(=O)c4cccc(F)c4)CC3)c2c1 CC(C)[*:1] Cc1cnc2[nH]c(c(CN3CCN(CC3)C(=O)c3cccc(F)c3)c2c1)[*:1]
Cc1cnc2[nH]c(C(C)C)c(CN3CCN(C(=O)c4cccc(F)c4)CC3)c2c1 Fc1cccc(c1)[*:1] Cc1cnc2[nH]c(c(CN3CCN(CC3)C(=O)[*:1])c2c1)C(C)C
CN(C)c1ccc(NC(=O)N2CCc3cc(F)ccc3C2)c[nH+]1 CN(C)[*:1] O=C(Nc1ccc([nH+]c1)[*:1])N1CCc2cc(F)ccc2C1
Cc1sc2nc(S[C@H](C)C(=O)NCc3ccccc3)n(C3CCCC3)c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2nc(S[C@H](C)C(=O)NC[*:1])n(c(=O)c2c1C)C1CCCC1
Cc1sc2nc(S[C@H](C)C(=O)NCc3ccccc3)n(C3CCCC3)c(=O)c2c1C C1CCC(C1)[*:1] Cc1sc2nc(S[C@H](C)C(=O)NCc3ccccc3)n(c(=O)c2c1C)[*:1]
Cc1sc2nc(S[C@H](C)C(=O)NCc3ccccc3)n(C3CCCC3)c(=O)c2c1C c1ccc(cc1)C[*:1] Cc1sc2nc(S[C@H](C)C(=O)N[*:1])n(c(=O)c2c1C)C1CCCC1
Cc1sc2nc(S[C@H](C)C(=O)NCc3ccccc3)n(C3CCCC3)c(=O)c2c1C O=C(NCc1ccccc1)[*:1] Cc1sc2nc(S[C@H](C)[*:1])n(c(=O)c2c1C)C1CCCC1
O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl O=C([O-])[*:1] O=S(=O)(c1cc(c(Cl)cc1Cl)[*:1])N1CCCCC1
NC(=O)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 NC(=O)[*:1] O=[N+]([O-])c1ccc(cc1)NC(=S)Nc1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] NC(=O)c1ccc(cc1)NC(=S)Nc1ccc(cc1)[*:1]
CCCc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 CCC[*:1] Cc1c(ccc2c(cc(=O)oc12)[*:1])OCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1
COc1ccc(NC(=O)c2n[nH]c([O-])n2)cc1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1C[*:1])NC(=O)c1n[nH]c([O-])n1
COc1ccc(NC(=O)c2n[nH]c([O-])n2)cc1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1[*:1])NC(=O)c1n[nH]c([O-])n1
COC(=O)c1ccc(S(=O)(=O)Nc2c(C)n[nH]c2C)o1 COC(=O)[*:1] Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc(o1)[*:1]
COc1ccc(CN2CCO[C@@H](c3ccc(C)o3)C2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CN1CCO[C@H](C1)c1ccc(C)o1
COc1ccc(CN2CCO[C@@H](c3ccc(C)o3)C2)cc1OC(F)F Cc1ccc(o1)[*:1] COc1ccc(cc1OC(F)F)CN1CCO[C@@H](C1)[*:1]
COc1ccc(CN2CCO[C@@H](c3ccc(C)o3)C2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CN1CCO[C@H](C1)c1ccc(C)o1
COc1ccc(CC(=O)Nc2cnc3c(C(=O)NCc4ccc(F)cc4)cccn3c2=O)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1cnc2c(cccn2c1=O)C(=O)NCc1ccc(F)cc1
COc1ccc(CC(=O)Nc2cnc3c(C(=O)NCc4ccc(F)cc4)cccn3c2=O)cc1 O=C(NCc1ccc(F)cc1)[*:1] COc1ccc(cc1)CC(=O)Nc1cnc2c(cccn2c1=O)[*:1]
COc1ccc(CC(=O)Nc2cnc3c(C(=O)NCc4ccc(F)cc4)cccn3c2=O)cc1 COc1ccc(cc1)C[*:1] O=C(NCc1ccc(F)cc1)c1cccn2c(=O)c(cnc12)NC(=O)[*:1]
COc1ccc(CC(=O)Nc2cnc3c(C(=O)NCc4ccc(F)cc4)cccn3c2=O)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)CC(=O)Nc1cnc2c(cccn2c1=O)C(=O)N[*:1]
COc1ccc(CC(=O)Nc2cnc3c(C(=O)NCc4ccc(F)cc4)cccn3c2=O)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)Nc1cnc2c(cccn2c1=O)C(=O)NC[*:1]
COc1cccc(CN2C[C@@H](C(=O)NCC3=CC=C[C@H]4N=CC=C34)CCC2=O)c1 COc1cccc(c1)C[*:1] O=C(NCC1=CC=C[C@H]2N=CC=C12)[C@H]1CCC(=O)N(C1)[*:1]
COc1cccc(CN2C[C@@H](C(=O)NCC3=CC=C[C@H]4N=CC=C34)CCC2=O)c1 COc1cccc(c1)[*:1] O=C(NCC1=CC=C[C@H]2N=CC=C12)[C@H]1CCC(=O)N(C1)C[*:1]
CCc1[nH]c(CN2CCN(c3cc(C(N)=O)ccn3)CC2)c(C)[nH+]1 NC(=O)[*:1] CCc1[nH]c(CN2CCN(CC2)c2cc(ccn2)[*:1])c(C)[nH+]1
COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(Cl)ccc1S(=O)(=O)N[C@@H](C)[*:1]
Cc1ccc(CNc2nc3nc(CNc4ccc(C)c(Cl)c4)cc([O-])n3n2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1Cl)NCc1cc([O-])n2nc(nc2n1)N[*:1]
Cc1ccc(CNc2nc3nc(CNc4ccc(C)c(Cl)c4)cc([O-])n3n2)cc1 Cc1ccc(cc1Cl)N[*:1] Cc1ccc(cc1)CNc1nc2nc(cc([O-])n2n1)C[*:1]
Cc1ccc(CNc2nc3nc(CNc4ccc(C)c(Cl)c4)cc([O-])n3n2)cc1 Cc1ccc(cc1)CN[*:1] Cc1ccc(cc1Cl)NCc1cc([O-])n2nc(nc2n1)[*:1]
Cc1ccc(CNc2nc3nc(CNc4ccc(C)c(Cl)c4)cc([O-])n3n2)cc1 Cc1ccc(cc1Cl)[*:1] Cc1ccc(cc1)CNc1nc2nc(cc([O-])n2n1)CN[*:1]
Cc1ccc(CNc2nc3nc(CNc4ccc(C)c(Cl)c4)cc([O-])n3n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NCc1cc([O-])n2nc(nc2n1)NC[*:1]
COc1cc(C(=O)N(CCC#N)[C@@H]2C[C@H](C)CC(C)(C)C2)cc(OC)c1OC N#CCC[*:1] COc1cc(cc(OC)c1OC)C(=O)N([C@@H]1C[C@H](C)CC(C)(C)C1)[*:1]
COc1cc(C(=O)N(CCC#N)[C@@H]2C[C@H](C)CC(C)(C)C2)cc(OC)c1OC N#CC[*:1] COc1cc(cc(OC)c1OC)C(=O)N(C[*:1])[C@@H]1C[C@H](C)CC(C)(C)C1
N#Cc1cc2c(nc1SCc1cccnc1)CCCCC2 c1cncc(c1)C[*:1] N#Cc1cc2CCCCCc2nc1S[*:1]
N#Cc1cc2c(nc1SCc1cccnc1)CCCCC2 c1cncc(c1)[*:1] N#Cc1cc2CCCCCc2nc1SC[*:1]
Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)c3ccncc3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)C(=O)c1ccncc1
Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)c3ccncc3)CC2)c1C c1cc(ccn1)[*:1] Cc1cccc(NC(=O)C(=O)N2CCN(CC2)C(=O)[*:1])c1C
CNC(=O)c1ccsc1NC(=O)Cc1ccc(C(C)C)cc1 CNC(=O)[*:1] CC(C)c1ccc(cc1)CC(=O)Nc1sccc1[*:1]
CNC(=O)c1ccsc1NC(=O)Cc1ccc(C(C)C)cc1 CC(C)[*:1] CNC(=O)c1ccsc1NC(=O)Cc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 Clc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C[NH+]1CCN(CC1)[*:1]
CC(=O)Nc1ccc(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 CC(=O)N[*:1] O=C(C[NH+]1CCN(CC1)c1cccc(Cl)c1)Nc1ccc(cc1)[*:1]
CCN(CC)C(=O)[C@@H](Sc1ncc[nH]1)c1ccccc1 c1c[nH]c(n1)[*:1] CCN(CC)C(=O)[C@@H](S[*:1])c1ccccc1
CCN(CC)C(=O)[C@@H](Sc1ncc[nH]1)c1ccccc1 c1c[nH]c(n1)S[*:1] CCN(CC)C(=O)[C@@H](c1ccccc1)[*:1]
CCN(CC)C(=O)[C@@H](Sc1ncc[nH]1)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@@H](Sc1ncc[nH]1)[*:1]
CCC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCOC2)C1 CCC[*:1] O=C(N[C@H]1CCOC1)N1CC[C@](C1)(C(=O)[O-])[*:1]
CCC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCOC2)C1 C1C[C@@H](CO1)[*:1] CCC[C@@]1(CCN(C1)C(=O)N[*:1])C(=O)[O-]
CCC[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCOC2)C1 O=C([O-])[*:1] CCC[C@@]1(CCN(C1)C(=O)N[C@H]1CCOC1)[*:1]
CC[NH+]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 Fc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)C(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
CCC[C@@H]([NH3+])c1ccn(CC(C)(C)C(=O)OC)c1 CCC[*:1] COC(=O)C(C)(C)Cn1ccc(c1)[C@H]([NH3+])[*:1]
CCC[C@@H]([NH3+])c1ccn(CC(C)(C)C(=O)OC)c1 COC(=O)[*:1] CCC[C@@H]([NH3+])c1ccn(c1)CC(C)(C)[*:1]
O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCCN1CCc2ccccc21 Clc1ccc(c(Cl)c1)[*:1] O=S(=O)(C[*:1])NCCCN1CCc2ccccc21
C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C(C)(C)C[NH+](C)C C[NH+]1CCN(CC1)C[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])C(C)(C)C[NH+](C)C
CCOC(=O)c1sc(NC(=O)c2scnc2C2CC2)nc1C(C)C C1CC1[*:1] CCOC(=O)c1sc(nc1C(C)C)NC(=O)c1scnc1[*:1]
CCOC(=O)c1sc(NC(=O)c2scnc2C2CC2)nc1C(C)C CCOC(=O)[*:1] CC(C)c1nc(NC(=O)c2scnc2C2CC2)sc1[*:1]
CCOC(=O)c1sc(NC(=O)c2scnc2C2CC2)nc1C(C)C c1nc(c(s1)[*:1])C1CC1 CCOC(=O)c1sc(nc1C(C)C)NC(=O)[*:1]
CCOC(=O)c1sc(NC(=O)c2scnc2C2CC2)nc1C(C)C CC(C)[*:1] CCOC(=O)c1sc(nc1[*:1])NC(=O)c1scnc1C1CC1
Clc1cccc2c1OCC[C@@H]2NCc1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] Clc1cccc2c1OCC[C@@H]2NCc1cnc(s1)[*:1]
CC(C)c1ocnc1CSCC(=O)N(C)Cc1ccccc1F CC(C)[*:1] CN(Cc1ccccc1F)C(=O)CSCc1ncoc1[*:1]
CC(C)c1ocnc1CSCC(=O)N(C)Cc1ccccc1F Fc1ccccc1[*:1] CC(C)c1ocnc1CSCC(=O)N(C)C[*:1]
O=C([C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] O=C([C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)[*:1])N1CCCC1
O=C([C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1)N1CCCC1 O=C(N1CCCC1)[*:1] O=c1c2ccccc2nc(S[C@@H](c2ccccc2)[*:1])n1C1CC1
O=C([C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1)N1CCCC1 C1CC1[*:1] O=C([C@@H](Sc1nc2ccccc2c(=O)n1[*:1])c1ccccc1)N1CCCC1
CC(C)[C@H](NCC(=O)Nc1ccc(Br)cc1)c1cccnc1 Brc1ccc(cc1)[*:1] CC(C)[C@H](NCC(=O)N[*:1])c1cccnc1
CC(C)[C@H](NCC(=O)Nc1ccc(Br)cc1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H](NCC(=O)Nc1ccc(Br)cc1)[*:1]
CC(C)[C@H](NCC(=O)Nc1ccc(Br)cc1)c1cccnc1 CC(C)[*:1] O=C(CN[C@H](c1cccnc1)[*:1])Nc1ccc(Br)cc1
Cc1csc([C@H]2CN(Cc3cnc4ccc(Br)cn34)CCO2)n1 Cc1csc(n1)[*:1] Brc1ccc2ncc(CN3CCO[C@H](C3)[*:1])n2c1
COc1cccc(C[C@]2(CO)CCCN(c3nccs3)C2)c1 c1csc(n1)[*:1] COc1cccc(c1)C[C@]1(CO)CCCN(C1)[*:1]
C[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)CN1CCOCC1 c1ccc(cc1)[*:1] C[C@@H](CNc1cnn(c(=O)c1Cl)[*:1])CN1CCOCC1
C[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)C[*:1]
C[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)[*:1]
COCCOc1ccc(NC(=O)NCc2ccccn2)cn1 COC[*:1] O=C(NCc1ccccn1)Nc1ccc(nc1)OC[*:1]
COCCOc1ccc(NC(=O)NCc2ccccn2)cn1 COCCO[*:1] O=C(NCc1ccccn1)Nc1ccc(nc1)[*:1]
COCCOc1ccc(NC(=O)NCc2ccccn2)cn1 c1ccc(nc1)[*:1] COCCOc1ccc(cn1)NC(=O)NC[*:1]
COCCOc1ccc(NC(=O)NCc2ccccn2)cn1 COCC[*:1] O=C(NCc1ccccn1)Nc1ccc(nc1)O[*:1]
COCCOc1ccc(NC(=O)NCc2ccccn2)cn1 c1ccc(C[*:1])nc1 COCCOc1ccc(cn1)NC(=O)N[*:1]
C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 c1cnn(c1)[*:1] C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
C[C@H]1C[C@@H]1NC(=O)N[C@@H]1CCCOc2ccccc21 C[C@H]1C[C@H]1[*:1] O=C(N[C@@H]1CCCOc2ccccc21)N[*:1]
C[C@@H]([NH2+]Cc1cncn1C1CC1)[C@H]1CCCO1 C1CC1[*:1] C[C@@H]([NH2+]Cc1cncn1[*:1])[C@H]1CCCO1
C[C@@H]([NH2+]Cc1cncn1C1CC1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H]([NH2+]Cc1cncn1C1CC1)[*:1]
O=C(c1cnc2ccc3ccccc3c2c1)c1ccccc1O Oc1ccccc1[*:1] O=C(c1cnc2ccc3ccccc3c2c1)[*:1]
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCCC1)c1nc2ccccc2[nH]1 C1CCC(C1)[*:1] C[C@H](NC(=O)N(CCC(F)(F)F)[*:1])c1nc2ccccc2[nH]1
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCCC1)c1nc2ccccc2[nH]1 FC(F)(F)[*:1] C[C@H](NC(=O)N(CC[*:1])C1CCCC1)c1nc2ccccc2[nH]1
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCCC1)c1nc2ccccc2[nH]1 FC(F)(F)CC[*:1] C[C@H](NC(=O)N(C1CCCC1)[*:1])c1nc2ccccc2[nH]1
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCCC1)c1nc2ccccc2[nH]1 FC(F)(F)C[*:1] C[C@H](NC(=O)N(C[*:1])C1CCCC1)c1nc2ccccc2[nH]1
O=C([O-])/C=C/c1ccccc1Oc1cccc(Cl)c1 O=C([O-])[*:1] Clc1cccc(c1)Oc1ccccc1C=C[*:1]
O=C([O-])/C=C/c1ccccc1Oc1cccc(Cl)c1 O=C([O-])C=C[*:1] Clc1cccc(c1)Oc1ccccc1[*:1]
CCOC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 CCOC(=O)C[*:1] O=c1ccn(c2ccc(Cl)cc12)[*:1]
CCOC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 CCOC(=O)[*:1] O=c1ccn(C[*:1])c2ccc(Cl)cc12
NC(=O)c1ccc(CSCC(=O)N2CCCc3ccccc32)cc1 NC(=O)[*:1] O=C(CSCc1ccc(cc1)[*:1])N1CCCc2ccccc21
CCC[C@@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)[*:1]
CCC[C@@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)C(=O)OC c1ccc(cc1)[*:1] CCC[C@@H](NC(=O)c1c[nH]c(=S)n1[*:1])C(=O)OC
CCC[C@@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)NCCOc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)NCCO[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)NCCOc2cccc(C)c2)c1 Cc1cccc(c1)O[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)NCC[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)NCCOc2cccc(C)c2)c1 CC(=O)N[*:1] Cc1cccc(c1)OCCNC(=O)Nc1cc(ccc1F)[*:1]
CCOC(=O)c1cc(Cl)c(OCc2nnc3n(C)c(=O)c4ccccc4n23)c(Cl)c1 CCOC(=O)[*:1] Cn1c(=O)c2ccccc2n2c(COc3c(Cl)cc(cc3Cl)[*:1])nnc12
Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H]4CCSc5ccc(F)cc54)cc3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(cc1)-c1nnc(o1)[*:1]
O=C(COc1ccccc1)Nc1nn2c(-c3ccco3)nnc2s1 c1coc(c1)[*:1] O=C(COc1ccccc1)Nc1nn2c(nnc2s1)[*:1]
O=C(COc1ccccc1)Nc1nn2c(-c3ccco3)nnc2s1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1nn2c(nnc2s1)-c1ccco1
O=C(COc1ccccc1)Nc1nn2c(-c3ccco3)nnc2s1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1nn2c(nnc2s1)-c1ccco1
O=C(COc1ccccc1)Nc1nn2c(-c3ccco3)nnc2s1 c1ccc(cc1)OC[*:1] O=C(Nc1nn2c(nnc2s1)-c1ccco1)[*:1]
Cc1nc(N2CCN(c3ccccc3)CC2)c2oc3ccccc3c2n1 c1ccc(cc1)[*:1] Cc1nc(c2oc3ccccc3c2n1)N1CCN(CC1)[*:1]
COc1ccc(C(=O)NCCS(=O)(=O)N2CCc3cc(OC)ccc3C2)cc1 COc1ccc(cc1)[*:1] COc1ccc2CN(CCc2c1)S(=O)(=O)CCNC(=O)[*:1]
CC(C)[NH+]1CCC(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 CC(C)[*:1] O=C(NCC1CC[NH+](CC1)[*:1])C1(CCOCC1)c1ccc(F)cc1
CC(C)[NH+]1CCC(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 Fc1ccc(cc1)[*:1] CC(C)[NH+]1CCC(CC1)CNC(=O)C1(CCOCC1)[*:1]
COc1ccccc1NC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 COc1ccccc1N[*:1] O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(CC1)[*:1]
COc1ccccc1NC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 COc1ccccc1[*:1] O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(CC1)N[*:1]
COc1ccccc1NC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] COc1ccccc1NC1CCN(CC1)C(=O)Cc1ccccc1[*:1]
COc1ccccc1NC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] COc1ccccc1NC1CCN(CC1)C(=O)C[*:1]
C[C@H](c1ccccc1F)N(C(=O)c1ccc(C(=O)N(C)C)cc1)C1CC1 Fc1ccccc1[*:1] C[C@H](N(C(=O)c1ccc(cc1)C(=O)N(C)C)C1CC1)[*:1]
C[C@H](c1ccccc1F)N(C(=O)c1ccc(C(=O)N(C)C)cc1)C1CC1 C1CC1[*:1] C[C@H](c1ccccc1F)N(C(=O)c1ccc(cc1)C(=O)N(C)C)[*:1]
C[C@H](c1ccccc1F)N(C(=O)c1ccc(C(=O)N(C)C)cc1)C1CC1 CN(C)C(=O)[*:1] C[C@H](c1ccccc1F)N(C(=O)c1ccc(cc1)[*:1])C1CC1
C[C@@H](SC(C)(C)C)C(=O)Nc1ccc(Br)cc1F CC(C)(C)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(Br)cc1F
C[C@@H](SC(C)(C)C)C(=O)Nc1ccc(Br)cc1F CC(C)(C)S[*:1] C[C@@H](C(=O)Nc1ccc(Br)cc1F)[*:1]
O=C(Nc1cc[nH]n1)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 c1ccc(cc1)OC[*:1] O=C(Nc1cc[nH]n1)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(Nc1cc[nH]n1)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 O=C(Nc1cc[nH]n1)[*:1] O=C(CCOc1ccccc1)N1CCC[C@@H](C1)[*:1]
O=C(Nc1cc[nH]n1)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 c1ccc(cc1)O[*:1] O=C(Nc1cc[nH]n1)[C@H]1CCCN(C1)C(=O)CC[*:1]
O=C(Nc1cc[nH]n1)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1cc[nH]n1)[C@H]1CCCN(C1)C(=O)CCO[*:1]
FC(F)Sc1ccc(NC(=S)N2CCOCC2)cc1 FC(F)[*:1] S=C(Nc1ccc(cc1)S[*:1])N1CCOCC1
FC(F)Sc1ccc(NC(=S)N2CCOCC2)cc1 FC(F)S[*:1] S=C(Nc1ccc(cc1)[*:1])N1CCOCC1
Cc1ccccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 Cc1ccccc1[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[*:1]
COC(=O)/C=C1\SCC(=O)N1CC(=O)c1cc(C)ccc1C COC(=O)[*:1] Cc1ccc(C)c(c1)C(=O)CN1C(=O)CSC1=C[*:1]
CC(=O)c1ccc(C)cc1OS(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC(=O)c1ccc(C)cc1OS(=O)(=O)[*:1]
CC(=O)c1ccc(C)cc1OS(=O)(=O)c1cnn(C)c1 CC(=O)[*:1] Cc1ccc(c(c1)OS(=O)(=O)c1cnn(C)c1)[*:1]
O=C(Nc1nc(Sc2ccccc2)ns1)[C@H]1C[C@H]2CC[C@@H]1O2 c1ccc(cc1)S[*:1] O=C(Nc1nc(ns1)[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
O=C(Nc1nc(Sc2ccccc2)ns1)[C@H]1C[C@H]2CC[C@@H]1O2 c1ccc(cc1)[*:1] O=C(Nc1nc(ns1)S[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
C[C@H](Cn1cccn1)Nc1ncnc2c1c(Br)nn2C c1cnn(c1)C[*:1] C[C@H](Nc1ncnc2c1c(Br)nn2C)[*:1]
C[C@H](Cn1cccn1)Nc1ncnc2c1c(Br)nn2C c1cnn(c1)[*:1] C[C@H](C[*:1])Nc1ncnc2c1c(Br)nn2C
CC[NH+](CCN1CCNC1=O)CC(C)(C)O CC(C)(O)[*:1] CC[NH+](CCN1CCNC1=O)C[*:1]
CC[NH+](CCN1CCNC1=O)CC(C)(C)O CC(C)(O)C[*:1] CC[NH+](CCN1CCNC1=O)[*:1]
CCC[C@H]1C[C@@]2(CC[NH2+]C[C@@H]2Cc2ccccc2)CCO1 CCC[*:1] c1ccc(cc1)C[C@H]1C[NH2+]CC[C@]12CCO[C@H](C2)[*:1]
CCC[C@H]1C[C@@]2(CC[NH2+]C[C@@H]2Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] CCC[C@H]1C[C@@]2(CC[NH2+]C[C@H]2[*:1])CCO1
CCC[C@H]1C[C@@]2(CC[NH2+]C[C@@H]2Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] CCC[C@H]1C[C@@]2(CC[NH2+]C[C@@H]2C[*:1])CCO1
Cc1ccc(OCCN(C)C(=O)c2sc3ccccc3c2[C@H]2CN(C)CCO2)cc1 Cc1ccc(cc1)[*:1] CN1CCO[C@H](C1)c1c(sc2ccccc12)C(=O)N(C)CCO[*:1]
Cc1ccc(OCCN(C)C(=O)c2sc3ccccc3c2[C@H]2CN(C)CCO2)cc1 Cc1ccc(cc1)O[*:1] CN1CCO[C@H](C1)c1c(sc2ccccc12)C(=O)N(C)CC[*:1]
Cc1ccc(OCCN(C)C(=O)c2sc3ccccc3c2[C@H]2CN(C)CCO2)cc1 Cc1ccc(cc1)OCC[*:1] CN1CCO[C@H](C1)c1c(sc2ccccc12)C(=O)N(C)[*:1]
Cc1ccc(OCCN(C)C(=O)c2sc3ccccc3c2[C@H]2CN(C)CCO2)cc1 Cc1ccc(cc1)OC[*:1] CN1CCO[C@H](C1)c1c(sc2ccccc12)C(=O)N(C)C[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](CC(=O)OC)C1CC1 COC(=O)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C[*:1])C1CC1
C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](CC(=O)OC)C1CC1 C1CC1[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](CC(=O)OC)[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](CC(=O)OC)C1CC1 COC(=O)C[*:1] C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C1CC1)[*:1]
O=C1C(=O)N(CN2CCC[C@H](C(=O)NCC3CC3)C2)c2c(F)cccc21 C1CC1[*:1] O=C1C(=O)N(CN2CCC[C@@H](C2)C(=O)NC[*:1])c2c(F)cccc21
O=C1C(=O)N(CN2CCC[C@H](C(=O)NCC3CC3)C2)c2c(F)cccc21 O=C(NCC1CC1)[*:1] O=C1C(=O)N(CN2CCC[C@H](C2)[*:1])c2c(F)cccc21
O=C1C(=O)N(CN2CCC[C@H](C(=O)NCC3CC3)C2)c2c(F)cccc21 C1CC1C[*:1] O=C1C(=O)N(CN2CCC[C@@H](C2)C(=O)N[*:1])c2c(F)cccc21
CC(C)(Cc1cccc(Cl)c1)C(=O)NCCc1nncn1C1CC1 c1nnc(n1C1CC1)[*:1] CC(C)(Cc1cccc(Cl)c1)C(=O)NCC[*:1]
CC(C)(Cc1cccc(Cl)c1)C(=O)NCCc1nncn1C1CC1 C1CC1[*:1] CC(C)(Cc1cccc(Cl)c1)C(=O)NCCc1nncn1[*:1]
CC(C)(Cc1cccc(Cl)c1)C(=O)NCCc1nncn1C1CC1 Clc1cccc(c1)[*:1] CC(C)(C[*:1])C(=O)NCCc1nncn1C1CC1
CC(C)(Cc1cccc(Cl)c1)C(=O)NCCc1nncn1C1CC1 Clc1cccc(c1)C[*:1] CC(C)(C(=O)NCCc1nncn1C1CC1)[*:1]
C[C@@H]([NH2+]Cc1cccc(NC(=O)N(C)C)c1)c1ccc(F)cn1 CN(C)C(=O)N[*:1] C[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1ccc(F)cn1
C[C@@H]([NH2+]Cc1cccc(NC(=O)N(C)C)c1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H]([NH2+]Cc1cccc(c1)NC(=O)N(C)C)[*:1]
CCOc1ccc(-c2ccc(=O)n(CC(=O)[O-])n2)cc1 CCO[*:1] O=C([O-])Cn1nc(ccc1=O)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2ccc(=O)n(CC(=O)[O-])n2)cc1 O=C([O-])C[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(n1)[*:1]
CCOc1ccc(-c2ccc(=O)n(CC(=O)[O-])n2)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(C[*:1])n1
COc1ccc([C@H]2C/C(=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)NN2C(C)=O)cc1OC COc1ccc(cc1OC)[*:1] CC(=O)N1N/C(C[C@@H]1[*:1])=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O
COc1ccc([C@H]2C/C(=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)NN2C(C)=O)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)[C@H]1C/C(NN1C(C)=O)=C1\C(=O)NC(=O)N(C1=O)[*:1]
COc1ccc([C@H]2C/C(=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)NN2C(C)=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1C/C(NN1C(C)=O)=C1\C(=O)NC(=O)N(C[*:1])C1=O
CCOc1cccc(CN2CCO[C@@H](C)[C@@H]2C)c1 CCO[*:1] C[C@@H]1OCCN(Cc2cccc(c2)[*:1])[C@H]1C
O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cc(Br)ccc1Cl Clc1ccc(Br)cc1[*:1] O=C(NCCNc1ccc(cn1)C(F)(F)F)[*:1]
O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cc(Br)ccc1Cl FC(F)(F)[*:1] O=C(NCCNc1ccc(cn1)[*:1])c1cc(Br)ccc1Cl
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2nccnc2c1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1O)[*:1])c1ccc2nccnc2c1
CCC(CC)C(=O)Nc1cccc(C(=O)NCc2ccccc2Cl)c1 CCC(CC)[*:1] O=C(NCc1ccccc1Cl)c1cccc(c1)NC(=O)[*:1]
CCC(CC)C(=O)Nc1cccc(C(=O)NCc2ccccc2Cl)c1 CCC(CC)C(=O)N[*:1] O=C(NCc1ccccc1Cl)c1cccc(c1)[*:1]
CCC(CC)C(=O)Nc1cccc(C(=O)NCc2ccccc2Cl)c1 Clc1ccccc1[*:1] CCC(CC)C(=O)Nc1cccc(c1)C(=O)NC[*:1]
CCC(CC)C(=O)Nc1cccc(C(=O)NCc2ccccc2Cl)c1 Clc1ccccc1C[*:1] CCC(CC)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CSC[C@@H]1CCCN1C(=O)c1ccc(-n2ccnn2)cc1 CSC[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CCC[C@H]1[*:1]
CSC[C@@H]1CCCN1C(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CSC[C@@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CC(C)(C)C2 Cc1ccc(cc1[*:1])[N+](=O)[O-] CCSc1sccc1[C@H]1C(C#N)=C(N)N(C2CC(C)(C)CC(=O)C=21)[*:1]
CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CC(C)(C)C2 O=[N+]([O-])[*:1] CCSc1sccc1[C@H]1C(C#N)=C(N)N(C2CC(C)(C)CC(=O)C=21)c1cc(ccc1C)[*:1]
CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CC(C)(C)C2 CCS[*:1] Cc1ccc(cc1N1C(N)=C(C#N)[C@@H](C2C(=O)CC(C)(C)CC=21)c1ccsc1[*:1])[N+](=O)[O-]
CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C1C(=O)CC(C)(C)C2 CCSc1sccc1[*:1] Cc1ccc(cc1N1C(N)=C(C#N)[C@@H](C2C(=O)CC(C)(C)CC=21)[*:1])[N+](=O)[O-]
COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccn2)c(C)c1 COC(=O)[*:1] Cc1cc(ccc1S(=O)(=O)N(C)c1ccccn1)[*:1]
COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccn2)c(C)c1 c1ccc(nc1)[*:1] COC(=O)c1ccc(c(C)c1)S(=O)(=O)N(C)[*:1]
O=C(NCc1ccsc1)NCC1CCC(C(=O)[O-])CC1 c1cc(cs1)C[*:1] O=C(NCC1CCC(CC1)C(=O)[O-])N[*:1]
O=C(NCc1ccsc1)NCC1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] O=C(NCc1ccsc1)NCC1CCC(CC1)[*:1]
O=C(NCc1ccsc1)NCC1CCC(C(=O)[O-])CC1 c1cc(cs1)[*:1] O=C(NCC1CCC(CC1)C(=O)[O-])NC[*:1]
CC(=O)c1cc(F)c(C)cc1OCC1CCCCC1 C1CCC(CC1)[*:1] CC(=O)c1cc(F)c(C)cc1OC[*:1]
CC(=O)c1cc(F)c(C)cc1OCC1CCCCC1 CC(=O)[*:1] Cc1cc(OCC2CCCCC2)c(cc1F)[*:1]
C[C@@H](CNC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1[nH]c2ccccc2c1Cl)[*:1]
COc1cccc(NC(=O)CCN2C(=O)[C@@H]3CC[C@](C)(C2=O)C3(C)C)c1 COc1cccc(c1)[*:1] CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC(=O)N[*:1])C2=O
C[C@@H](NC(=O)c1n[nH]c(C2CC2)n1)c1ccc(Cl)c(Cl)c1 C1CC1[*:1] C[C@@H](NC(=O)c1n[nH]c(n1)[*:1])c1ccc(Cl)c(Cl)c1
COc1cccc([C@H]2C[C@@H]2C(=O)N(C)c2cc(Cl)ccc2OC)c1 COc1cccc(c1)[*:1] COc1ccc(Cl)cc1N(C)C(=O)[C@H]1C[C@@H]1[*:1]
NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1SCCc2sccc21 NC(=O)[*:1] O=C([C@@H]1SCCc2sccc21)N1CCC[C@H]1[*:1]
[NH3+][C@@H](CCc1cccs1)[C@@H]1CSCCS1 c1csc(c1)[*:1] [NH3+][C@@H](CC[*:1])[C@@H]1CSCCS1
CCOC(=O)C1(c2nc(-c3cccnc3)no2)CCCC1 c1cncc(c1)[*:1] CCOC(=O)C1(CCCC1)c1nc(no1)[*:1]
CCOC(=O)C1(c2nc(-c3cccnc3)no2)CCCC1 CCOC(=O)[*:1] c1cncc(c1)-c1noc(n1)C1(CCCC1)[*:1]
CCC[NH2+][C@@H](C)c1ccccc1N1CCC(C)CC1 CCC[*:1] CC1CCN(CC1)c1ccccc1[C@H](C)[NH2+][*:1]
O=C([O-])C[NH+]1CCN(c2nccc(N3CCCCC3)n2)CC1 C1CCN(CC1)[*:1] O=C([O-])C[NH+]1CCN(CC1)c1nccc(n1)[*:1]
O=C([O-])C[NH+]1CCN(c2nccc(N3CCCCC3)n2)CC1 O=C([O-])[*:1] c1cc(nc(n1)N1CC[NH+](CC1)C[*:1])N1CCCCC1
O=C(NCCCCOc1ccccc1)c1ccccc1Br c1ccc(cc1)[*:1] O=C(NCCCCO[*:1])c1ccccc1Br
O=C(NCCCCOc1ccccc1)c1ccccc1Br Brc1ccccc1[*:1] O=C(NCCCCOc1ccccc1)[*:1]
O=C(NCCCCOc1ccccc1)c1ccccc1Br c1ccc(cc1)O[*:1] O=C(NCCCC[*:1])c1ccccc1Br
N#CCOc1ccccc1NC(=O)NC1CCCC1 N#CCO[*:1] O=C(Nc1ccccc1[*:1])NC1CCCC1
N#CCOc1ccccc1NC(=O)NC1CCCC1 C1CCC(C1)[*:1] N#CCOc1ccccc1NC(=O)N[*:1]
N#CCOc1ccccc1NC(=O)NC1CCCC1 N#CC[*:1] O=C(Nc1ccccc1O[*:1])NC1CCCC1
CCCCc1ccc([C@H](O)C(F)(F)C(F)F)cc1 FC(F)[*:1] CCCCc1ccc(cc1)[C@H](O)C(F)(F)[*:1]
CCCCc1ccc([C@H](O)C(F)(F)C(F)F)cc1 FC(F)C(F)(F)[*:1] CCCCc1ccc(cc1)[C@H](O)[*:1]
CCCCc1ccc([C@H](O)C(F)(F)C(F)F)cc1 CCCC[*:1] O[C@@H](c1ccc(cc1)[*:1])C(F)(F)C(F)F
CCCCc1ccc([C@H](O)C(F)(F)C(F)F)cc1 CCC[*:1] O[C@@H](c1ccc(cc1)C[*:1])C(F)(F)C(F)F
O=C(NCCc1ccccc1F)[C@H]1CCCN(C(=O)CC2=c3ccccc3=[NH+]C2)C1 Fc1ccccc1CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)CC1C[NH+]=c2ccccc2=1
O=C(NCCc1ccccc1F)[C@H]1CCCN(C(=O)CC2=c3ccccc3=[NH+]C2)C1 Fc1ccccc1[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)C(=O)CC1C[NH+]=c2ccccc2=1
O=C(NCCc1ccccc1F)[C@H]1CCCN(C(=O)CC2=c3ccccc3=[NH+]C2)C1 Fc1ccccc1C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)CC1C[NH+]=c2ccccc2=1
COC(=O)C(=Cc1c[nH]c2ccccc12)C(=O)OC COC(=O)[*:1] COC(=O)C(=Cc1c[nH]c2ccccc12)[*:1]
COc1ccc(NC(=O)[C@H](Sc2nc(C)nc(C)c2C#N)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@H](Sc1nc(C)nc(C)c1C#N)[*:1]
COc1ccc(NC(=O)[C@H](Sc2nc(C)nc(C)c2C#N)c2ccccc2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1nc(C)c(C#N)c(n1)S[C@@H](C(=O)N[*:1])c1ccccc1
Cc1ncsc1CCNC(=O)C[C@@H]1COCCN1C(=O)N1CCCC1 Cc1ncsc1CC[*:1] O=C(C[C@@H]1COCCN1C(=O)N1CCCC1)N[*:1]
Cc1ncsc1CCNC(=O)C[C@@H]1COCCN1C(=O)N1CCCC1 Cc1ncsc1[*:1] O=C(C[C@@H]1COCCN1C(=O)N1CCCC1)NCC[*:1]
Cc1ncsc1CCNC(=O)C[C@@H]1COCCN1C(=O)N1CCCC1 Cc1ncsc1C[*:1] O=C(C[C@@H]1COCCN1C(=O)N1CCCC1)NC[*:1]
Cc1ncc([C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)c(C)n1 CC(C)[*:1] Cc1ncc(c(C)n1)[C@H](C)[NH2+]CC(C)(C)[C@@H](O)[*:1]
Cc1ncc([C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)c(C)n1 CC(C)[C@H](O)[*:1] Cc1ncc(c(C)n1)[C@H](C)[NH2+]CC(C)(C)[*:1]
COC(=O)c1cncn1C1CC1 COC(=O)[*:1] c1ncn(c1[*:1])C1CC1
COC(=O)c1cncn1C1CC1 C1CC1[*:1] COC(=O)c1cncn1[*:1]
CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C CC(=O)N[*:1] Cc1ccc(cc1S(=O)(=O)Nc1cccc(c1C)[*:1])C(=O)[O-]
CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C O=C([O-])[*:1] CC(=O)Nc1cccc(NS(=O)(=O)c2cc(ccc2C)[*:1])c1C
C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)c1cnc(c(Cl)c1)[*:1] C[C@@H](c1nc(N)nc(n1)Nc1ccccc1)[NH+]1CCN(CC1)[*:1]
C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] C[C@@H](c1nc(N)nc(n1)Nc1ccccc1)[NH+]1CCN(CC1)c1ncc(cc1Cl)[*:1]
C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 c1ccc(cc1)[*:1] C[C@@H](c1nc(N)nc(n1)N[*:1])[NH+]1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 c1ccc(cc1)N[*:1] C[C@@H](c1nc(N)nc(n1)[*:1])[NH+]1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
Fc1cccc(-c2nc3cnccn3c2NCc2cccs2)c1 c1csc(c1)[*:1] Fc1cccc(c1)-c1nc2cnccn2c1NC[*:1]
Fc1cccc(-c2nc3cnccn3c2NCc2cccs2)c1 c1csc(c1)C[*:1] Fc1cccc(c1)-c1nc2cnccn2c1N[*:1]
Fc1cccc(-c2nc3cnccn3c2NCc2cccs2)c1 Fc1cccc(c1)[*:1] c1csc(c1)CNc1c(nc2cnccn12)[*:1]
Fc1cccc(-c2nc3cnccn3c2NCc2cccs2)c1 c1csc(c1)CN[*:1] Fc1cccc(c1)-c1nc2cnccn2c1[*:1]
Cc1csc(N2CCCN(C(=O)Cc3c(C)noc3C)CC2)n1 Cc1csc(n1)[*:1] Cc1noc(C)c1CC(=O)N1CCCN(CC1)[*:1]
Cc1csc(N2CCCN(C(=O)Cc3c(C)noc3C)CC2)n1 Cc1noc(C)c1[*:1] Cc1csc(n1)N1CCCN(CC1)C(=O)C[*:1]
C[C@@H](CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)S[*:1]
C[C@@H](CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)Sc1ccccc1 c1ccc(cc1)S[*:1] C[C@@H](CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@@]1(C(=O)N(C)c2ccccc21)N(c1nccs1)C3=O c1csc(n1)[*:1] Cc1ccc2oc3C(=O)N([C@]4(C(=O)N(C)c5ccccc54)c3c(=O)c2c1)[*:1]
O=C(N[C@H]1CCCc2ccccc21)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=C(N[C@H]1CCCc2ccccc21)[*:1]
COc1ccc(N(CCC(=O)N2CCCC[C@@H]2C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N(CCC(=O)N1CCCC[C@@H]1C)[*:1]
COc1ccc(N(CCC(=O)N2CCCC[C@@H]2C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)N(CCC(=O)N1CCCC[C@@H]1C)S(=O)(=O)[*:1]
COc1ccc(F)c(NC(=O)N(C)Cc2ccccc2C)c1 Cc1ccccc1[*:1] COc1ccc(F)c(c1)NC(=O)N(C)C[*:1]
CC[NH+]1CCN(C(=O)c2cnn(-c3cccc(C)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 CC(C)(C)[*:1] CC[NH+]1CCN(CC1)C(=O)c1cnn(-c2cccc(C)c2)c1C1CCN(CC1)C(=O)O[*:1]
CC[NH+]1CCN(C(=O)c2cnn(-c3cccc(C)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 Cc1cccc(c1)[*:1] CC[NH+]1CCN(CC1)C(=O)c1cnn(c1C1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
O=C1N=C(NCCO)[NH+]=C2c3ccccc3CC3(CCCC3)[C@H]12 OCC[*:1] O=C1N=C(N[*:1])[NH+]=C2c3ccccc3CC3(CCCC3)[C@H]12
CC(C)CC[C@@]1(C)C[NH+]=C(N)N1C(C)C CC(C)[*:1] CC(C)CC[C@@]1(C)C[NH+]=C(N)N1[*:1]
CC(C)CC[C@@]1(C)C[NH+]=C(N)N1C(C)C CC(C)CC[*:1] CC(C)N1C(N)=[NH+]C[C@@]1(C)[*:1]
CC(C)CC[C@@]1(C)C[NH+]=C(N)N1C(C)C CC(C)[*:1] CC(C)N1C(N)=[NH+]C[C@]1(C)CC[*:1]
CC(C)CC[C@@]1(C)C[NH+]=C(N)N1C(C)C CC(C)C[*:1] CC(C)N1C(N)=[NH+]C[C@]1(C)C[*:1]
COC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 COC(=O)N[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
O=C(Cc1ccc(-n2cnnn2)cc1)OC[C@H]1CC=CCC1 c1nnnn1[*:1] O=C(Cc1ccc(cc1)[*:1])OC[C@H]1CC=CCC1
Cc1ccccc1COC1CN(C(=O)c2cc(C(C)C)on2)C1 CC(C)[*:1] Cc1ccccc1COC1CN(C1)C(=O)c1cc(on1)[*:1]
Cc1ccccc1COC1CN(C(=O)c2cc(C(C)C)on2)C1 Cc1ccccc1[*:1] CC(C)c1cc(no1)C(=O)N1CC(C1)OC[*:1]
CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2CC[NH2+]CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(NC1CCCC1)c1ccc(c(c1)NS(=O)(=O)[*:1])N1CC[NH2+]CC1
CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2CC[NH2+]CC2)cc1 O=C(NC1CCCC1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CC[NH2+]CC1)[*:1]
CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2CC[NH2+]CC2)cc1 C1CCC(C1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CC[NH2+]CC1)C(=O)N[*:1]
CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCC3)ccc2N2CC[NH2+]CC2)cc1 CC(C)[*:1] O=C(NC1CCCC1)c1ccc(c(c1)NS(=O)(=O)c1ccc(cc1)[*:1])N1CC[NH2+]CC1
C[C@H]1N=N[C@H](S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)[O-])N1 O=C([O-])[*:1] C[C@H]1N=N[C@@H](N1)S/C(=C/c1ccc(o1)-c1cccc(Cl)c1)[*:1]
C[C@H]1N=N[C@H](S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)[O-])N1 Clc1cccc(c1)[*:1] C[C@H]1N=N[C@@H](N1)S/C(=C/c1ccc(o1)[*:1])C(=O)[O-]
COC(=O)c1sccc1Oc1cc(C(F)(F)F)nc(SC)n1 FC(F)(F)[*:1] COC(=O)c1sccc1Oc1cc(nc(n1)SC)[*:1]
COC(=O)c1sccc1Oc1cc(C(F)(F)F)nc(SC)n1 COC(=O)[*:1] CSc1nc(cc(n1)C(F)(F)F)Oc1ccsc1[*:1]
Cc1ccc(NC(=O)Nc2cccc([C@H](C)O)c2)c(C)n1 C[C@H](O)[*:1] Cc1ccc(NC(=O)Nc2cccc(c2)[*:1])c(C)n1
Cc1cc(C)n(C[C@H](C)NC(=O)c2cn(Cc3cccc4ccccc34)nn2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C[*:1])NC(=O)c1cn(Cc2cccc3ccccc23)nn1
Cc1cc(C)n(C[C@H](C)NC(=O)c2cn(Cc3cccc4ccccc34)nn2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](NC(=O)c1cn(Cc2cccc3ccccc23)nn1)[*:1]
C[NH+]1CCN(C(C)(C)C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1 FC(F)O[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)NNC(=O)c1cccc(c1)[*:1]
C[NH+]1CCN(C(C)(C)C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1 FC(F)[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)NNC(=O)c1cccc(c1)O[*:1]
CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(OC)c1 c1ccc2CN(CCc2c1)[*:1] CCOC(=O)C1=C(C[*:1])NC(=O)N[C@@H]1c1cccc(c1)OC
CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(OC)c1 CCOC(=O)[*:1] COc1cccc(c1)[C@H]1NC(=O)NC(CN2CCc3ccccc3C2)=C1[*:1]
C#Cc1cccc(N(CC(=O)NC)C(=O)COc2cc(Cl)ccc2Cl)c1 CNC(=O)C[*:1] C#Cc1cccc(c1)N(C(=O)COc1cc(Cl)ccc1Cl)[*:1]
C#Cc1cccc(N(CC(=O)NC)C(=O)COc2cc(Cl)ccc2Cl)c1 Clc1ccc(Cl)c(c1)[*:1] C#Cc1cccc(c1)N(CC(=O)NC)C(=O)CO[*:1]
C#Cc1cccc(N(CC(=O)NC)C(=O)COc2cc(Cl)ccc2Cl)c1 C#Cc1cccc(c1)[*:1] CNC(=O)CN(C(=O)COc1cc(Cl)ccc1Cl)[*:1]
C#Cc1cccc(N(CC(=O)NC)C(=O)COc2cc(Cl)ccc2Cl)c1 CNC(=O)[*:1] C#Cc1cccc(c1)N(C[*:1])C(=O)COc1cc(Cl)ccc1Cl
CC(=O)Nc1ccc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1 CC(=O)N[*:1] Cc1c(oc2CC/C(=C/c3ccc(cc3)[*:1])C(=O)c21)C(=O)[O-]
CC(=O)Nc1ccc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1 O=C([O-])[*:1] CC(=O)Nc1ccc(/C=C2/CCc3oc(c(C)c3C2=O)[*:1])cc1
O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1 O=[N+]([O-])[*:1] O=C(NCC(=O)N1CCN(CC1)c1ccc(Cl)cc1[*:1])c1ccc(F)cc1
O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1ccc(Cl)cc1[N+](=O)[O-]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2cnn(Cc3ccccc3)c2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1cnn(c1)C[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2cnn(Cc3ccccc3)c2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1cnn(c1)[*:1]
CCOC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)N[C@H]1C CCOC(=O)[*:1] C[C@@H]1NC(=O)NC(CN2CCCc3ccccc32)=C1[*:1]
Cn1cnn(-c2ccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@H]4C3)cc2)c1=O Cn1cnn(c1=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1C[C@@H]2CCC[C@H]2C1
COc1ccc(CN(C)C(=O)NCc2cccc(NC(C)C)c2)cc1O CC(C)[*:1] COc1ccc(cc1O)CN(C)C(=O)NCc1cccc(c1)N[*:1]
COc1ccc(CN(C)C(=O)NCc2cccc(NC(C)C)c2)cc1O CC(C)N[*:1] COc1ccc(cc1O)CN(C)C(=O)NCc1cccc(c1)[*:1]
CC(C)[C@@H](Nc1ncc(Cl)cc1F)c1cccs1 CC(C)[*:1] Fc1cc(Cl)cnc1N[C@@H](c1cccs1)[*:1]
CC(C)[C@@H](Nc1ncc(Cl)cc1F)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](Nc1ncc(Cl)cc1F)[*:1]
O=C(NC[C@H]1CCC[C@H]1O)C1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(NC[C@H]1CCC[C@H]1O)C1CCN(CC1)S(=O)(=O)[*:1]
CC[C@H](C)CN1CC[NH2+]C[C@@H]1C#N CC[C@H](C)[*:1] N#C[C@H]1C[NH2+]CCN1C[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc(-c3cnccn3)no2)cc1 CC[C@@H](C)NS(=O)(=O)[*:1] c1cnc(cn1)-c1noc(n1)-c1ccc(cc1)[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc(-c3cnccn3)no2)cc1 c1cnc(cn1)[*:1] CC[C@@H](C)NS(=O)(=O)c1ccc(cc1)-c1nc(no1)[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc(-c3cnccn3)no2)cc1 CC[C@@H](C)[*:1] O=S(=O)(N[*:1])c1ccc(cc1)-c1nc(no1)-c1cnccn1
COCc1nn2c3c(cnc2c1-c1ccc(OC)c(OC)c1)C(=O)CC(C)(C)C3 COC[*:1] COc1ccc(cc1OC)-c1c(nn2c3CC(C)(C)CC(=O)c3cnc12)[*:1]
COC(=O)/C(=C/C=C(\Cl)c1cccc(Cl)c1)CCl COC(=O)[*:1] ClC/C(=C\C=C(/Cl)c1cccc(Cl)c1)[*:1]
CO[C@@H]1CCCN(C(=O)CSc2nncn2-c2ccc(C(C)C)cc2)C1 CC(C)[*:1] CO[C@@H]1CCCN(C1)C(=O)CSc1nncn1-c1ccc(cc1)[*:1]
Cc1cc(C)n(-c2cncc(N3CCC[C@@H]3c3cc[nH+]cc3)n2)n1 Cc1cc(C)n(n1)[*:1] c1cc(cc[nH+]1)[C@H]1CCCN1c1cncc(n1)[*:1]
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCN(C(=O)C2CC2)CC1 O=[N+]([O-])[*:1] O=C(NNc1ccc(cc1[*:1])C(F)(F)F)C1CCN(CC1)C(=O)C1CC1
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCN(C(=O)C2CC2)CC1 FC(F)(F)[*:1] O=C(NNc1ccc(cc1[N+](=O)[O-])[*:1])C1CCN(CC1)C(=O)C1CC1
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(NNc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C1CCN(CC1)C(=O)[*:1]
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cnc(Cl)c(Cl)c1 Clc1ccc(cc1)[*:1] O=C(CS[*:1])NNC(=O)c1cnc(Cl)c(Cl)c1
O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1nc2ncccn2n1 Clc1ccccc1C[*:1] O=C(Nc1nn(cc1Cl)[*:1])c1nc2ncccn2n1
O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1nc2ncccn2n1 Clc1ccccc1[*:1] O=C(Nc1nn(cc1Cl)C[*:1])c1nc2ncccn2n1
O=C(NCc1cccc(O)c1)N1CCC(c2nc3ccccc3s2)CC1 Oc1cccc(c1)[*:1] O=C(NC[*:1])N1CCC(CC1)c1nc2ccccc2s1
O=C(NCc1cccc(O)c1)N1CCC(c2nc3ccccc3s2)CC1 Oc1cccc(c1)C[*:1] O=C(N[*:1])N1CCC(CC1)c1nc2ccccc2s1
S=c1sc2c(N3CCc4ccccc4C3)ncnc2n1-c1ccccc1 c1ccc(cc1)[*:1] S=c1sc2c(ncnc2n1[*:1])N1CCc2ccccc2C1
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(NC(C)=O)cc3)nn1C)C2 CC(=O)N[*:1] COc1cc2Cc3c(nn(C)c3-c2cc1OC)C(=O)Nc1ccc(cc1)[*:1]
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(NC(C)=O)cc3)nn1C)C2 CC(=O)Nc1ccc(cc1)[*:1] COc1cc2Cc3c(nn(C)c3-c2cc1OC)C(=O)N[*:1]
COc1cn(CC(=O)NC2CCCC2)c(CSc2nccc(C)n2)cc1=O C1CCC(C1)[*:1] COc1cn(CC(=O)N[*:1])c(cc1=O)CSc1nccc(C)n1
COc1cn(CC(=O)NC2CCCC2)c(CSc2nccc(C)n2)cc1=O O=C(C[*:1])NC1CCCC1 COc1cn(c(cc1=O)CSc1nccc(C)n1)[*:1]
COc1cn(CC(=O)NC2CCCC2)c(CSc2nccc(C)n2)cc1=O Cc1ccnc(n1)SC[*:1] COc1cn(CC(=O)NC2CCCC2)c(cc1=O)[*:1]
COc1cn(CC(=O)NC2CCCC2)c(CSc2nccc(C)n2)cc1=O Cc1ccnc(n1)[*:1] COc1cn(CC(=O)NC2CCCC2)c(cc1=O)CS[*:1]
COc1cn(CC(=O)NC2CCCC2)c(CSc2nccc(C)n2)cc1=O O=C(NC1CCCC1)[*:1] COc1cn(C[*:1])c(cc1=O)CSc1nccc(C)n1
COc1cn(CC(=O)NC2CCCC2)c(CSc2nccc(C)n2)cc1=O Cc1ccnc(n1)S[*:1] COc1cn(CC(=O)NC2CCCC2)c(cc1=O)C[*:1]
CC(C)(C)n1cnnc1SCCOc1ccc2ccccc2c1 CC(C)(C)[*:1] c1ccc2cc(ccc2c1)OCCSc1nncn1[*:1]
CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] CCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3nccs3)no2)cc1F c1csc(n1)[*:1] Cc1ccc(cc1F)-c1cc(no1)C(=O)N[*:1]
CNc1ccnc(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CNc1ccnc(c1)C(=O)Nc1ccc(Br)c(c1)[*:1]
CC(C)(C(=O)OCc1ncc(-c2ccc(F)cc2)o1)c1cccc(C#N)c1 Fc1ccc(cc1)[*:1] CC(C)(C(=O)OCc1ncc(o1)[*:1])c1cccc(C#N)c1
CC(C)(C(=O)OCc1ncc(-c2ccc(F)cc2)o1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)(C(=O)OCc1ncc(o1)-c1ccc(F)cc1)[*:1]
CC[C@H](NC(=O)N1CCS[C@@H](c2ccccc2)C1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)N1CCS[C@H](C1)c1ccccc1)[*:1]
CC[C@H](NC(=O)N1CCS[C@@H](c2ccccc2)C1)c1ccncc1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)N1CCS[C@@H](C1)[*:1])c1ccncc1
CCN(C(=O)/C=C/C1CC1)c1ccccc1 C(=C[*:1])C1CC1 CCN(C(=O)[*:1])c1ccccc1
CCN(C(=O)/C=C/C1CC1)c1ccccc1 C1CC1[*:1] CCN(C(=O)C=C[*:1])c1ccccc1
COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCC#N)c1 N#CCC[*:1] COc1cccc(c1)[C@H]1NC(=O)NC(C)=C1C(=O)O[*:1]
COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCC#N)c1 N#CC[*:1] COc1cccc(c1)[C@H]1NC(=O)NC(C)=C1C(=O)OC[*:1]
COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCC#N)c1 N#CCCOC(=O)[*:1] COc1cccc(c1)[C@H]1NC(=O)NC(C)=C1[*:1]
O=C(c1c[nH]c2ncccc12)N1CCC[C@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C(c1c[nH]c2ncccc12)N1CCC[C@H]1C[*:1]
O=C(c1c[nH]c2ncccc12)N1CCC[C@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C(c1c[nH]c2ncccc12)N1CCC[C@@H]1[*:1]
Cc1ccc(NC(=O)N2CCCSC[C@@H]2CN2CCOCC2)cc1C C1CN(CCO1)[*:1] Cc1ccc(cc1C)NC(=O)N1CCCSC[C@@H]1C[*:1]
Cc1ccc(NC(=O)N2CCCSC[C@@H]2CN2CCOCC2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])N1CCCSC[C@@H]1CN1CCOCC1
Cc1ccc(NC(=O)N2CCCSC[C@@H]2CN2CCOCC2)cc1C C1CN(CCO1)C[*:1] Cc1ccc(cc1C)NC(=O)N1CCCSC[C@H]1[*:1]
Fc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccco2)c1F c1ccc(cc1)[*:1] Fc1cccc(C[NH2+][C@@H](c2ccco2)[*:1])c1F
Fc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccco2)c1F c1coc(c1)[*:1] Fc1cccc(C[NH2+][C@@H](c2ccccc2)[*:1])c1F
CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1Br CCO[*:1] CC(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(c(Br)c1)[*:1]
CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1Br CC(=O)N1CCN(CC1)[*:1] CCOc1ccc(cc1Br)C(=O)Nc1cccc(Cl)c1[*:1]
CN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Fc1ccccc1C[*:1] CN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CN(Cc1ccccc1F)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(cc1)[*:1]
Cc1ccc(Cl)cc1N1CC[NH+](CCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 Cc1ccc(Cl)cc1[*:1] O=c1ccc(n[nH]1)-c1ccc(s1)S(=O)(=O)NCC[NH+]1CCN(CC1)[*:1]
Cc1ccc(Cl)cc1N1CC[NH+](CCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 O=c1ccc(n[nH]1)[*:1] Cc1ccc(Cl)cc1N1CC[NH+](CCNS(=O)(=O)c2ccc(s2)[*:1])CC1
C[C@H]1CCC[C@]2(C1)Nc1ccccc1C(=O)N2Cc1ccco1 c1coc(c1)[*:1] C[C@H]1CCC[C@]2(C1)Nc1ccccc1C(=O)N2C[*:1]
C[C@H]1CCC[C@]2(C1)Nc1ccccc1C(=O)N2Cc1ccco1 c1coc(c1)C[*:1] C[C@H]1CCC[C@]2(C1)Nc1ccccc1C(=O)N2[*:1]
COc1ccc(NC(=O)CSc2nnc3[nH]c(=O)cc(C(C)C)n23)cc1OC CC(C)[*:1] COc1ccc(cc1OC)NC(=O)CSc1nnc2[nH]c(=O)cc(n12)[*:1]
O=C(CO/N=C\c1ccccc1)Nc1ccccc1C(=O)[O-] O=C([O-])[*:1] O=C(CO/N=C\c1ccccc1)Nc1ccccc1[*:1]
O=C(CO/N=C\c1ccccc1)Nc1ccccc1C(=O)[O-] c1ccc(cc1)[*:1] O=C(CON=C[*:1])Nc1ccccc1C(=O)[O-]
CS(=O)(=O)c1ccc(-n2nnnc2CNc2cc(Cl)ccc2Cl)cc1 CS(=O)(=O)[*:1] Clc1ccc(Cl)c(c1)NCc1nnnn1-c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(-n2nnnc2CNc2cc(Cl)ccc2Cl)cc1 Clc1ccc(Cl)c(c1)[*:1] CS(=O)(=O)c1ccc(cc1)-n1nnnc1CN[*:1]
CCC(C)(C)c1ccc(OC2CC[NH2+]CC2)cc1 CCC(C)(C)[*:1] c1cc(ccc1OC1CC[NH2+]CC1)[*:1]
CCOC(=O)c1cnc(S[C@@H](C)c2ccccc2Cl)nc1N CCOC(=O)[*:1] C[C@H](Sc1ncc(c(N)n1)[*:1])c1ccccc1Cl
CCOC(=O)c1cnc(S[C@@H](C)c2ccccc2Cl)nc1N Clc1ccccc1[*:1] CCOC(=O)c1cnc(nc1N)S[C@@H](C)[*:1]
Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)NCC(C)(C)c1ccncc1 Clc1cccc(c1)[*:1] Cc1nn(cc1C(=O)NCC(C)(C)c1ccncc1)C[*:1]
Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)NCC(C)(C)c1ccncc1 Clc1cccc(c1)C[*:1] Cc1nn(cc1C(=O)NCC(C)(C)c1ccncc1)[*:1]
Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)NCC(C)(C)c1ccncc1 CC(C)(c1ccncc1)[*:1] Cc1nn(cc1C(=O)NC[*:1])Cc1cccc(Cl)c1
Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] Cc1nn(cc1C(=O)NCC(C)(C)[*:1])Cc1cccc(Cl)c1
CC[C@H](C)Oc1cccc(-c2nc(N)nc(C)c2C(=O)NC)c1 CC[C@H](C)[*:1] CNC(=O)c1c(C)nc(N)nc1-c1cccc(c1)O[*:1]
CC[C@H](C)Oc1cccc(-c2nc(N)nc(C)c2C(=O)NC)c1 CNC(=O)[*:1] CC[C@H](C)Oc1cccc(c1)-c1nc(N)nc(C)c1[*:1]
CC[C@H](C)Oc1cccc(-c2nc(N)nc(C)c2C(=O)NC)c1 CC[C@H](C)O[*:1] CNC(=O)c1c(C)nc(N)nc1-c1cccc(c1)[*:1]
Cc1ccc(OCCCn2cc([N+](=O)[O-])cn2)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)OCCCn1cc(cn1)[*:1]
CN(C(=O)c1cc2ccccc2cc1NC(=O)C1CC1)c1ccccc1 C1CC1[*:1] CN(C(=O)c1cc2ccccc2cc1NC(=O)[*:1])c1ccccc1
CN(C(=O)c1cc2ccccc2cc1NC(=O)C1CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1cc2ccccc2cc1NC(=O)C1CC1)[*:1]
CN(C(=O)c1cc2ccccc2cc1NC(=O)C1CC1)c1ccccc1 O=C(N[*:1])C1CC1 CN(C(=O)c1cc2ccccc2cc1[*:1])c1ccccc1
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)Cc2ccn(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)Cc1ccn(n1)[*:1]
COC(=O)[C@H]1CN(C(=O)CCNC(C)=O)C[C@@H]1C CC(=O)NCC[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)C(=O)[*:1]
COC(=O)[C@H]1CN(C(=O)CCNC(C)=O)C[C@@H]1C CC(=O)N[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)C(=O)CC[*:1]
COC(=O)[C@H]1CN(C(=O)CCNC(C)=O)C[C@@H]1C CC(=O)NC[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)C(=O)C[*:1]
COC(=O)[C@H]1CN(C(=O)CCNC(C)=O)C[C@@H]1C COC(=O)[*:1] CC(=O)NCCC(=O)N1C[C@H](C)[C@H](C1)[*:1]
CN(C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1)[*:1]
CN(C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)N1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1
Cc1ccccc1Nc1c([N+](=O)[O-])cncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1Nc1c(cncc1[*:1])[N+](=O)[O-]
COC(=O)C[C@H](NC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 O[C@@H](c1ccccc1)[*:1] COC(=O)C[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
COC(=O)C[C@H](NC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] COC(=O)C[C@H](NC(=O)[C@@H](O)[*:1])c1ccc(Cl)cc1
COC(=O)C[C@H](NC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 COC(=O)C[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])[C@@H](O)c1ccccc1
COC(=O)C[C@H](NC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)C[C@H](NC(=O)[C@@H](O)c1ccccc1)[*:1]
COC(=O)C[C@H](NC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 COC(=O)[*:1] O=C(N[C@@H](C[*:1])c1ccc(Cl)cc1)[C@@H](O)c1ccccc1
O=C(NCCOC[C@H]1CCCO1)N1CCc2ccccc2C1 C1CO[C@H](C1)C[*:1] O=C(NCCO[*:1])N1CCc2ccccc2C1
O=C(NCCOC[C@H]1CCCO1)N1CCc2ccccc2C1 C1CO[C@H](C1)CO[*:1] O=C(NCC[*:1])N1CCc2ccccc2C1
O=C(NCCOC[C@H]1CCCO1)N1CCc2ccccc2C1 C1CO[C@H](C1)[*:1] O=C(NCCOC[*:1])N1CCc2ccccc2C1
O=C(CN1C(=O)[C@@H]2CCCN2C1=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)[C@@H]2CCCN2C1=O)N[*:1]
O=C(CN1C(=O)[C@@H]2CCCN2C1=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)[C@@H]2CCCN2C1=O)NC[*:1]
COC(=O)C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1cccc(C)c1C O=C([O-])[*:1] COC(=O)C[C@@H](NC(=O)c1ccccc1[*:1])c1cccc(C)c1C
COC(=O)C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1cccc(C)c1C COC(=O)[*:1] Cc1cccc(c1C)[C@@H](C[*:1])NC(=O)c1ccccc1C(=O)[O-]
COC(=O)C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1cccc(C)c1C Cc1cccc(c1C)[*:1] COC(=O)C[C@@H](NC(=O)c1ccccc1C(=O)[O-])[*:1]
COC(=O)C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1cccc(C)c1C COC(=O)C[*:1] Cc1cccc(c1C)[C@H](NC(=O)c1ccccc1C(=O)[O-])[*:1]
C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 Fc1ccccc1C[*:1] C[C@H](C(=O)Nc1ccc(cc1)C(=O)N1CCOCC1)[*:1]
C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 Fc1ccccc1[*:1] C[C@H](C[*:1])C(=O)Nc1ccc(cc1)C(=O)N1CCOCC1
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2cccs2)CC1 COC(=O)[*:1] O=C(CCc1cccs1)N1CCN(CC1)[C@@H](c1ccc(Cl)cc1)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2cccs2)CC1 Clc1ccc(cc1)[*:1] COC(=O)[C@H](N1CCN(CC1)C(=O)CCc1cccs1)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2cccs2)CC1 c1csc(c1)CC[*:1] COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2cccs2)CC1 c1csc(c1)[*:1] COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC1)C(=O)CC[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2cccs2)CC1 c1csc(c1)C[*:1] COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC1)C(=O)C[*:1]
COc1ccccc1N[C@H](CO)c1ccc(C2CC2)cc1 C1CC1[*:1] COc1ccccc1N[C@H](CO)c1ccc(cc1)[*:1]
O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1OCc1cscn1 c1nc(cs1)CO[*:1] O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1[*:1]
O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1OCc1cscn1 c1nc(cs1)[*:1] O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1OC[*:1]
O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1OCc1cscn1 c1nc(cs1)C[*:1] O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1O[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)[C@@H](C)CCc1ccccc1F CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)CCc1ccccc1F)[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)[C@@H](C)CCc1ccccc1F Fc1ccccc1[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)CC[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)[C@@H](C)CCc1ccccc1F Fc1ccccc1C[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)C[*:1])C(=O)N(C)C
COc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)c1 O=C1CCC[C@H]1[*:1] COc1cccc(c1)C(=O)N1CCC[C@H]1[*:1]
COCCCC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C CC(C)(C)[*:1] COCCCC(=O)N1C[C@H](C)N(C[C@@H]1C)C(=O)O[*:1]
COCCCC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C COC[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)CC[*:1]
COCCCC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C COCC[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)C[*:1]
COCCCC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C COCCC[*:1] C[C@H]1CN(C(=O)[*:1])[C@@H](C)CN1C(=O)OC(C)(C)C
CNC(=O)CSCc1nc(Cc2ccccc2C)no1 CNC(=O)[*:1] Cc1ccccc1Cc1noc(CSC[*:1])n1
CNC(=O)CSCc1nc(Cc2ccccc2C)no1 CNC(=O)CS[*:1] Cc1ccccc1Cc1noc(C[*:1])n1
CNC(=O)CSCc1nc(Cc2ccccc2C)no1 CNC(=O)C[*:1] Cc1ccccc1Cc1noc(CS[*:1])n1
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C)ccc1C O=[N+]([O-])[*:1] COc1cc(ccc1S(=O)(=O)Nc1cc(C)ccc1C)[*:1]
O=C(CCn1nc(Cl)c2ccccc21)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCn1nc(Cl)c2ccccc21)N[*:1]
Cc1noc(-c2ccccc2C(=O)N2C[C@H](C)CC[C@@H]2C)n1 Cc1noc(n1)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)c1ccccc1[*:1]
CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)c1cc(ccc1C)S(=O)(=O)NC[*:1]
CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)CC1 c1ccc(cc1)C[*:1] CC(=O)N1CCN(CC1)C(=O)c1cc(ccc1C)S(=O)(=O)N[*:1]
Cn1cnnc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 Cn1cnnc1[*:1] O=[N+]([O-])c1cccc(c1)C[NH2+]C[*:1]
Cn1cnnc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cn1cnnc1C[NH2+]Cc1cccc(c1)[*:1]
C=CC[C@@H]1CCCCN1C(=O)Cl C=CC[*:1] O=C(Cl)N1CCCC[C@H]1[*:1]
CCCCN(C)C(=O)NC[C@@H](C)Oc1ccccc1Cl CCCC[*:1] C[C@H](CNC(=O)N(C)[*:1])Oc1ccccc1Cl
CCCCN(C)C(=O)NC[C@@H](C)Oc1ccccc1Cl CCC[*:1] C[C@H](CNC(=O)N(C)C[*:1])Oc1ccccc1Cl
COCc1cc(=O)[nH]c(NCc2cc(F)cc(F)c2)n1 COC[*:1] O=c1cc(nc(NCc2cc(F)cc(F)c2)[nH]1)[*:1]
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 NC(=O)c1ccc(cc1)[*:1] N#C/C(=C/N[*:1])c1nc(cs1)-c1ccc(Cl)cc1Cl
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 Clc1ccc(c(Cl)c1)[*:1] N#C/C(=C/Nc1ccc(cc1)C(N)=O)c1nc(cs1)[*:1]
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 NC(=O)[*:1] N#C/C(=C/Nc1ccc(cc1)[*:1])c1nc(cs1)-c1ccc(Cl)cc1Cl
Cc1cccc(NC(=O)CSc2cc(N3C[C@H](C)O[C@@H](C)C3)ncn2)c1 Cc1cccc(c1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1cc(ncn1)SCC(=O)N[*:1]
CCCn1cc(NC(=O)CC[C@H](C)O)ccc1=O CCC[*:1] C[C@H](O)CCC(=O)Nc1ccc(=O)n(c1)[*:1]
CCCn1cc(NC(=O)CC[C@H](C)O)ccc1=O C[C@H](O)C[*:1] CCCn1cc(ccc1=O)NC(=O)C[*:1]
CCCn1cc(NC(=O)CC[C@H](C)O)ccc1=O C[C@H](O)CC[*:1] CCCn1cc(ccc1=O)NC(=O)[*:1]
CCCn1cc(NC(=O)CC[C@H](C)O)ccc1=O C[C@H](O)[*:1] CCCn1cc(ccc1=O)NC(=O)CC[*:1]
O=C(CCc1ccccc1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 c1ccc(cc1)[*:1] O=C(CC[*:1])NC1CCN(CC1)c1ccc(cn1)C(F)(F)F
O=C(CCc1ccccc1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 c1ccc(cc1)C[*:1] O=C(C[*:1])NC1CCN(CC1)c1ccc(cn1)C(F)(F)F
O=C(CCc1ccccc1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 c1ccc(cc1)CC[*:1] O=C(NC1CCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
O=C(CCc1ccccc1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C(CCc1ccccc1)NC1CCN(CC1)c1ccc(cn1)[*:1]
COC[C@@H](Nc1ncnc2c1CCCC2)C(C)C COC[*:1] CC(C)[C@H](Nc1ncnc2CCCCc21)[*:1]
COC[C@@H](Nc1ncnc2c1CCCC2)C(C)C CC(C)[*:1] COC[C@@H](Nc1ncnc2CCCCc21)[*:1]
C[C@@H](c1ccc(Cl)cc1)N1CCN(CC(C)(C)S(C)(=O)=O)CC1 CS(=O)(=O)[*:1] C[C@@H](c1ccc(Cl)cc1)N1CCN(CC1)CC(C)(C)[*:1]
C[C@@H](c1ccc(Cl)cc1)N1CCN(CC(C)(C)S(C)(=O)=O)CC1 CC(C)(S(C)(=O)=O)[*:1] C[C@@H](c1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
C[C@@H](c1ccc(Cl)cc1)N1CCN(CC(C)(C)S(C)(=O)=O)CC1 Clc1ccc(cc1)[*:1] C[C@@H](N1CCN(CC1)CC(C)(C)S(C)(=O)=O)[*:1]
CC[C@H](NC(=O)NCc1ccc([S@](C)=O)cc1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
CC[C@H](NC(=O)NCc1ccc([S@](C)=O)cc1)c1ccncc1 C[S@](=O)[*:1] CC[C@H](NC(=O)NCc1ccc(cc1)[*:1])c1ccncc1
O=C([O-])c1ccc(CN2CCCCC2=O)cc1 O=C([O-])[*:1] O=C1CCCCN1Cc1ccc(cc1)[*:1]
Cc1cc2occ(CC(=O)NCc3ccc(S(=O)(=O)N(C)C)s3)c2cc1C(C)C CN(C)S(=O)(=O)[*:1] Cc1cc2occ(CC(=O)NCc3ccc(s3)[*:1])c2cc1C(C)C
Cc1cc2occ(CC(=O)NCc3ccc(S(=O)(=O)N(C)C)s3)c2cc1C(C)C CC(C)[*:1] Cc1cc2occ(CC(=O)NCc3ccc(s3)S(=O)(=O)N(C)C)c2cc1[*:1]
COc1cc([N-]S(=O)(=O)c2ccc(/N=C/c3ccc(Cl)cc3)cc2)nc(OC)n1 Clc1ccc(C=N[*:1])cc1 COc1cc(nc(n1)OC)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
COc1cc([N-]S(=O)(=O)c2ccc(/N=C/c3ccc(Cl)cc3)cc2)nc(OC)n1 Clc1ccc(cc1)[*:1] COc1cc(nc(n1)OC)[N-]S(=O)(=O)c1ccc(cc1)N=C[*:1]
Cc1ccc(O)c(C(=O)NCCNS(C)(=O)=O)c1 CS(=O)(=O)NC[*:1] Cc1ccc(O)c(c1)C(=O)NC[*:1]
Cc1ccc(O)c(C(=O)NCCNS(C)(=O)=O)c1 CS(=O)(=O)N[*:1] Cc1ccc(O)c(c1)C(=O)NCC[*:1]
CCCCOc1ncccc1CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2 CCCCO[*:1] O=C(NCc1cccnc1[*:1])[C@@]12CC[C@@H](C[C@@H]1Br)C2
CCCCOc1ncccc1CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2 CCC[*:1] O=C(NCc1cccnc1OC[*:1])[C@@]12CC[C@@H](C[C@@H]1Br)C2
CCCCOc1ncccc1CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2 CCCC[*:1] O=C(NCc1cccnc1O[*:1])[C@@]12CC[C@@H](C[C@@H]1Br)C2
C[C@H]1C[C@@H]1NC(=O)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] C[C@H]1C[C@@H]1NC(=O)Nc1ccc(cc1)CC[*:1]
C[C@H]1C[C@@H]1NC(=O)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] C[C@H]1C[C@@H]1NC(=O)Nc1ccc(cc1)C[*:1]
CCC(=O)Nc1cccc(C(=O)NCC(C)(C)[NH+](C)C)c1 CCC(=O)N[*:1] C[NH+](C)C(C)(C)CNC(=O)c1cccc(c1)[*:1]
CN(C)c1c(Cl)cccc1NC(=O)C[C@@H]1OCCc2ccccc21 CN(C)[*:1] O=C(C[C@@H]1OCCc2ccccc21)Nc1cccc(Cl)c1[*:1]
CCOC(=O)Nc1nc2ccc(NC(=O)CCC(F)(F)F)cc2s1 CCOC(=O)N[*:1] O=C(CCC(F)(F)F)Nc1ccc2nc(sc2c1)[*:1]
CCOC(=O)Nc1nc2ccc(NC(=O)CCC(F)(F)F)cc2s1 FC(F)(F)[*:1] CCOC(=O)Nc1nc2ccc(cc2s1)NC(=O)CC[*:1]
CCOC(=O)Nc1nc2ccc(NC(=O)CCC(F)(F)F)cc2s1 FC(F)(F)CC[*:1] CCOC(=O)Nc1nc2ccc(cc2s1)NC(=O)[*:1]
CCOC(=O)Nc1nc2ccc(NC(=O)CCC(F)(F)F)cc2s1 FC(F)(F)C[*:1] CCOC(=O)Nc1nc2ccc(cc2s1)NC(=O)C[*:1]
CNc1cc([C@H]2CCCN(C(=O)Cc3cccc(OC)c3)C2)nc(-c2cccnc2)n1 COc1cccc(c1)[*:1] CNc1cc(nc(n1)-c1cccnc1)[C@H]1CCCN(C1)C(=O)C[*:1]
CNc1cc([C@H]2CCCN(C(=O)Cc3cccc(OC)c3)C2)nc(-c2cccnc2)n1 COc1cccc(c1)C[*:1] CNc1cc(nc(n1)-c1cccnc1)[C@H]1CCCN(C1)C(=O)[*:1]
CNc1cc([C@H]2CCCN(C(=O)Cc3cccc(OC)c3)C2)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] CNc1cc(nc(n1)[*:1])[C@H]1CCCN(C1)C(=O)Cc1cccc(c1)OC
COc1ncc(C)cc1NC(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] COc1ncc(C)cc1NC(=O)N(C[C@H](O)[*:1])C1CC1
COc1ncc(C)cc1NC(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1 C1CC1[*:1] COc1ncc(C)cc1NC(=O)N(C[C@H](O)c1ccc(F)cc1)[*:1]
CCOc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 C1CO[C@@H](C1)C[*:1] CCOc1cccc2sc(nc12)N(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[*:1]
CCOc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 C1CO[C@@H](C1)[*:1] CCOc1cccc2sc(nc12)N(C[*:1])C(=O)[C@@H]1CCCN1S(C)(=O)=O
CCOc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 CCO[*:1] CS(=O)(=O)N1CCC[C@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2c(cccc2s1)[*:1]
O=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1ccc(Br)cc1 O=C(N1CCCCCC1)[*:1] O=C(NCCc1nc2ccccc2n1CC[*:1])c1ccc(Br)cc1
O=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCn1c(CCNC(=O)[*:1])nc2ccccc21)N1CCCCCC1
O=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1ccc(Br)cc1 O=C(C[*:1])N1CCCCCC1 O=C(NCCc1nc2ccccc2n1C[*:1])c1ccc(Br)cc1
O=C(NCCc1nc2ccccc2n1CCC(=O)N1CCCCCC1)c1ccc(Br)cc1 O=C(N[*:1])c1ccc(Br)cc1 O=C(CCn1c(CC[*:1])nc2ccccc21)N1CCCCCC1
CNC(=O)[C@H]1C[NH2+]CCN1c1nc2cccc(C)n2n1 CNC(=O)[*:1] Cc1cccc2nc(nn12)N1CC[NH2+]C[C@@H]1[*:1]
COCc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1ccccc1 c1ccc(cc1)[*:1] COCc1c(nnn1[*:1])C(=O)Nc1cc(C)ccc1C
COCc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1ccccc1 COC[*:1] Cc1ccc(C)c(c1)NC(=O)c1nnn(-c2ccccc2)c1[*:1]
COCc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1ccccc1 Cc1ccc(C)c(c1)[*:1] COCc1c(nnn1-c1ccccc1)C(=O)N[*:1]
CC(C)[C@H](Sc1nnc(C2CC2)n1C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CC(C)[C@H](Sc1nnc(C2CC2)n1C)C(=O)N[*:1]
CC(C)[C@H](Sc1nnc(C2CC2)n1C)C(=O)NC1CCCC1 C1CC1[*:1] CC(C)[C@H](Sc1nnc(n1C)[*:1])C(=O)NC1CCCC1
CC(C)[C@H](Sc1nnc(C2CC2)n1C)C(=O)NC1CCCC1 CC(C)[*:1] Cn1c(nnc1C1CC1)S[C@H](C(=O)NC1CCCC1)[*:1]
CC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 CC(=O)[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)S(=O)(=O)[N-]c1cccc(c1)[*:1]
CC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 O=[N+]([O-])[*:1] CC(=O)c1cccc(c1)[N-]S(=O)(=O)c1cc(ccc1Cl)[*:1]
CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccc([O-])nn2)C1 c1ccc(cc1)[*:1] CC(C)NC(=O)[C@@]1(CCN(C1)C(=O)c1ccc([O-])nn1)Cc1ccccc1[*:1]
CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccc([O-])nn2)C1 CC(C)[*:1] O=C(c1ccc([O-])nn1)N1CC[C@](Cc2ccccc2-c2ccccc2)(C1)C(=O)N[*:1]
CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccc([O-])nn2)C1 CC(C)NC(=O)[*:1] O=C(c1ccc([O-])nn1)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C1)[*:1]
CC[C@@H](CS)Cn1cnc2c(cnn2C)c1=O CC[C@@H](CS)[*:1] Cn1ncc2c(=O)n(cnc21)C[*:1]
O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC1CCC2(CC1)OCCO2 C1CCN(C1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])NC1CCC2(CC1)OCCO2
COC(=O)Nc1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)Nc1cccc(c1)NC(=O)c1cc(F)ccc1[*:1]
COC(=O)Nc1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 COC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(F)ccc1[N+](=O)[O-]
CC1CCC(NC(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 NC(=O)[*:1] CC1CCC(CC1)NC(=O)/C=C/c1ccc(cc1)[*:1]
CC1CCC(NC(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 CC1CCC(CC1)[*:1] NC(=O)c1ccc(/C=C/C(=O)N[*:1])cc1
C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)COc2ccc(N3CCCC3=O)cc2)o1 O=C1CCCN1[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)COc2ccc(cc2)[*:1])o1
COC(=O)[C@H](C)N(C(=O)c1cc(C2CC2)nc2ccccc12)C1CC1 C1CC1[*:1] COC(=O)[C@H](C)N(C(=O)c1cc(nc2ccccc12)C1CC1)[*:1]
COC(=O)[C@H](C)N(C(=O)c1cc(C2CC2)nc2ccccc12)C1CC1 COC(=O)[*:1] C[C@H](N(C(=O)c1cc(nc2ccccc12)C1CC1)C1CC1)[*:1]
COC(=O)[C@H](C)N(C(=O)c1cc(C2CC2)nc2ccccc12)C1CC1 C1CC1[*:1] COC(=O)[C@H](C)N(C(=O)c1cc(nc2ccccc12)[*:1])C1CC1
C[C@@H](NC(=O)N(C)C[C@@H](O)C1CC1)c1ccc(Cl)s1 O[C@@H](C1CC1)[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)N(C)C[C@@H](O)C1CC1)c1ccc(Cl)s1 C1CC1[*:1] C[C@@H](NC(=O)N(C)C[C@@H](O)[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)N(C)C[C@@H](O)C1CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)N(C)C[C@@H](O)C1CC1)[*:1]
C[C@@H](NC(=O)N(C)C[C@@H](O)C1CC1)c1ccc(Cl)s1 O[C@H](C[*:1])C1CC1 C[C@@H](NC(=O)N(C)[*:1])c1ccc(Cl)s1
CNC(=O)COc1ccc(C=O)cc1Br CNC(=O)[*:1] O=Cc1ccc(OC[*:1])c(Br)c1
CNC(=O)COc1ccc(C=O)cc1Br CNC(=O)C[*:1] O=Cc1ccc(O[*:1])c(Br)c1
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCc2ccn(-c3ccc(F)cc3)n2)C1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NCc1ccn(n1)[*:1]
CCCC(=O)Nc1ccc(NC(=O)C(C)C)cc1 CCCC(=O)N[*:1] CC(C)C(=O)Nc1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] CCCC(=O)Nc1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(NC(=O)C(C)C)cc1 CCC[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] CCCC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(=O)c1ccnc(Oc2ccc(C#N)cc2)c1 CC(=O)[*:1] N#Cc1ccc(cc1)Oc1cc(ccn1)[*:1]
O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1ccc(F)cc1Cl c1ccc(nc1)[*:1] O=C(Cn1c(=O)cc(-c2nc(no2)[*:1])c2ccccc21)Nc1ccc(F)cc1Cl
O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1ccc(F)cc1Cl O=C(Nc1ccc(F)cc1Cl)[*:1] O=c1cc(-c2nc(no2)-c2ccccn2)c2ccccc2n1C[*:1]
O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C(Cn1c(=O)cc(-c2nc(no2)-c2ccccn2)c2ccccc21)N[*:1]
O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1ccc(F)cc1Cl c1ccc(nc1)-c1noc(n1)[*:1] O=C(Cn1c(=O)cc(c2ccccc21)[*:1])Nc1ccc(F)cc1Cl
COc1ccccc1NCc1ccccc1N1C[C@H](C)O[C@H](C)C1 COc1ccccc1[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccccc1CN[*:1]
Cc1cc(C)n2nc(C)c(C(=O)N3CCN(c4ccc(Cl)cn4)CC3)c2n1 Clc1ccc(nc1)[*:1] Cc1cc(C)n2nc(C)c(C(=O)N3CCN(CC3)[*:1])c2n1
CC(C)C[C@@H](C)[NH2+]CC1CC[NH2+]CC1 CC(C)C[*:1] C[C@@H]([NH2+]CC1CC[NH2+]CC1)[*:1]
CC(C)C[C@@H](C)[NH2+]CC1CC[NH2+]CC1 CC(C)[*:1] C[C@H](C[*:1])[NH2+]CC1CC[NH2+]CC1
Cc1cc(CCCC(=O)N2CCN(c3ncccc3F)CC2)c(C)s1 Cc1cc(C[*:1])c(C)s1 O=C(CC[*:1])N1CCN(CC1)c1ncccc1F
Cc1cc(CCCC(=O)N2CCN(c3ncccc3F)CC2)c(C)s1 Fc1cccnc1[*:1] Cc1cc(CCCC(=O)N2CCN(CC2)[*:1])c(C)s1
Cc1cc(CCCC(=O)N2CCN(c3ncccc3F)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CCC[*:1])N1CCN(CC1)c1ncccc1F
CC(C)C/C(=N\Nc1nncc2ccccc12)c1ccccc1 CC(C)[*:1] c1ccc(cc1)/C(C[*:1])=N/Nc1nncc2ccccc12
CC(C)C/C(=N\Nc1nncc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CC(=NNc1nncc2ccccc12)[*:1]
CC(C)C/C(=N\Nc1nncc2ccccc12)c1ccccc1 CC(C)C[*:1] c1ccc(cc1)/C(=N/Nc1nncc2ccccc12)[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2Cc3ccccc3O2)o1 Cc1ccc(o1)[*:1] c1ccc2O[C@@H](C[NH2+]Cc3c[nH]nc3[*:1])Cc2c1
Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O c1csc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(=O)N(C[*:1])C1=O
Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O Cc1c(Cl)cccc1[*:1] O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O c1csc(c1)C[*:1] Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(=O)N(C1=O)[*:1]
Cc1nsc(NC(=O)[C@H]2Cc3[nH]c[nH+]c3CN2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NC(=O)[C@H]2Cc3[nH]c[nH+]c3CN2)c1[*:1]
C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2OC(F)F)CN1c1ccccc1 FC(F)[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)Cc1ccccc1O[*:1]
C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2OC(F)F)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1[*:1])NC(=O)Cc1ccccc1OC(F)F
C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2OC(F)F)CN1c1ccccc1 FC(F)O[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)Cc1ccccc1[*:1]
C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCC(=O)O1 O=C1CC[C@H](O1)[*:1] C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[*:1]
CCOC[C@H](C)n1c(CCl)nc2cc(C)cnc21 CCO[*:1] Cc1cnc2c(c1)nc(CCl)n2[C@@H](C)C[*:1]
CCOC[C@H](C)n1c(CCl)nc2cc(C)cnc21 CCOC[C@H](C)[*:1] Cc1cnc2c(c1)nc(CCl)n2[*:1]
CCOC[C@H](C)n1c(CCl)nc2cc(C)cnc21 CCOC[*:1] Cc1cnc2c(c1)nc(CCl)n2[C@@H](C)[*:1]
Cc1ccc(F)c(C(=O)OCc2nnc(-c3ccccc3)n2C)c1F c1ccc(cc1)[*:1] Cc1ccc(F)c(C(=O)OCc2nnc(n2C)[*:1])c1F
COc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(OC)cc1Cl Clc1ccccc1[*:1] COc1cc(NC(=O)[C@H]2CC(=O)N(C2)C[*:1])c(cc1Cl)OC
COc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(OC)cc1Cl Clc1ccccc1C[*:1] COc1cc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])c(cc1Cl)OC
COc1cccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)c1OC COc1cccc(c1OC)[*:1] O=C(c1ccco1)N1CCc2ccc(cc2C1)NC(=O)[*:1]
COc1cccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)c1OC c1coc(c1)[*:1] COc1cccc(C(=O)Nc2ccc3CCN(Cc3c2)C(=O)[*:1])c1OC
Cc1cc(CNc2cc(C#N)ccc2OC(F)F)no1 FC(F)O[*:1] Cc1cc(CNc2cc(C#N)ccc2[*:1])no1
Cc1cc(CNc2cc(C#N)ccc2OC(F)F)no1 FC(F)[*:1] Cc1cc(CNc2cc(C#N)ccc2O[*:1])no1
Cc1cc(CNc2cc(C#N)ccc2OC(F)F)no1 Cc1cc(no1)[*:1] N#Cc1ccc(OC(F)F)c(c1)NC[*:1]
O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 Clc1ccc(cc1)[*:1] O=C([C@@H]1CCCN(C1)C(=O)[*:1])N(Cc1cccs1)c1ccc2OCCOc2c1
O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 c1cc2OCCOc2cc1[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@H](C1)C(=O)N(Cc1cccs1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 c1csc(c1)[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@H](C1)C(=O)N(C[*:1])c1ccc2OCCOc2c1
O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 c1csc(c1)C[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@H](C1)C(=O)N(c1ccc2OCCOc2c1)[*:1]
COC(=O)[C@@H](Nc1ccn(Cc2ccccn2)n1)c1ccc(F)cc1 COC(=O)[*:1] Fc1ccc(cc1)[C@H](Nc1ccn(Cc2ccccn2)n1)[*:1]
COC(=O)[C@@H](Nc1ccn(Cc2ccccn2)n1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H](Nc1ccn(Cc2ccccn2)n1)[*:1]
COC(=O)[C@@H](Nc1ccn(Cc2ccccn2)n1)c1ccc(F)cc1 c1ccc(nc1)[*:1] COC(=O)[C@@H](Nc1ccn(C[*:1])n1)c1ccc(F)cc1
COC(=O)[C@@H](Nc1ccn(Cc2ccccn2)n1)c1ccc(F)cc1 c1ccc(C[*:1])nc1 COC(=O)[C@@H](Nc1ccn(n1)[*:1])c1ccc(F)cc1
O=C(NCc1ccncc1)NCc1ccc(-n2cncn2)cc1 c1cc(ccn1)[*:1] O=C(NCc1ccc(cc1)-n1cncn1)NC[*:1]
O=C(NCc1ccncc1)NCc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] O=C(NCc1ccncc1)NCc1ccc(cc1)[*:1]
O=C(NCc1ccncc1)NCc1ccc(-n2cncn2)cc1 c1cc(ccn1)C[*:1] O=C(NCc1ccc(cc1)-n1cncn1)N[*:1]
CCN(C(=O)[C@H]1CCCCC[C@H]1[NH3+])c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@H]1CCCCC[C@H]1[NH3+])[*:1]
O=C1NC(C2CC2)(C2CC2)C(=O)N1CN1CCC[C@H]1c1ccsc1 c1cc(cs1)[*:1] O=C1NC(C(=O)N1CN1CCC[C@@H]1[*:1])(C1CC1)C1CC1
O=C1NC(C2CC2)(C2CC2)C(=O)N1CN1CCC[C@H]1c1ccsc1 C1CC1[*:1] O=C1NC(C(=O)N1CN1CCC[C@H]1c1ccsc1)(C1CC1)[*:1]
COC(=O)c1ccc(C)c(N(CCO)CCO)c1 COC(=O)[*:1] Cc1ccc(cc1N(CCO)CCO)[*:1]
COC(=O)c1ccc(C)c(N(CCO)CCO)c1 OCC[*:1] COC(=O)c1ccc(C)c(c1)N(CCO)[*:1]
CCN(Cc1nc(C)c(C)s1)[C@@H](C)c1cccc(OC)c1 Cc1nc(sc1C)[*:1] CCN(C[*:1])[C@@H](C)c1cccc(c1)OC
COC(=O)[C@@H](C)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 COC(=O)[*:1] C[C@@H](N1CCN(CC1)C(=O)c1cccc(c1)C(F)(F)F)[*:1]
COC(=O)[C@@H](C)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 COC(=O)[C@@H](C)[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCN(CC1)[*:1]
COC(=O)[C@@H](C)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] COC(=O)[C@@H](C)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
Cc1ccccc1CNC(=O)[C@H]1CCCN(c2ccc(N3CCOCC3)nn2)C1 Cc1ccccc1[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1ccc(nn1)N1CCOCC1
Cc1ccccc1CNC(=O)[C@H]1CCCN(c2ccc(N3CCOCC3)nn2)C1 Cc1ccccc1C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)N1CCOCC1
Cc1ccccc1CNC(=O)[C@H]1CCCN(c2ccc(N3CCOCC3)nn2)C1 C1CN(CCO1)[*:1] Cc1ccccc1CNC(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
CCc1[nH+]ccn1CCC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCc1[nH+]ccn1CCC(=O)N1CCC(CC1)[C@@H](O)[*:1]
CCc1[nH+]ccn1CCC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCc1[nH+]ccn1CCC(=O)N1CCC(CC1)[C@@H](O)C[*:1]
CC(C)COC[C@H](NC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccco1 CC(C)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)N[C@@H](COC[*:1])c1ccco1
CC(C)COC[C@H](NC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccco1 CC(C)COC[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)N[C@H](c1ccco1)[*:1]
CC(C)COC[C@H](NC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccco1 CC(C)C[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)N[C@@H](CO[*:1])c1ccco1
CC(C)COC[C@H](NC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccco1 c1coc(c1)[*:1] CC(C)COC[C@H](NC(=O)N1C[C@@H](C)O[C@H](C)C1)[*:1]
CC(C)COC[C@H](NC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccco1 CC(C)CO[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)N[C@@H](C[*:1])c1ccco1
C[C@@H]1CCC[C@H](N(C)C(=O)c2ncccc2C(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)c1ncccc1[*:1]
CN(C)C(=O)CNCc1ccc([N+](=O)[O-])c(F)c1 CN(C)C(=O)C[*:1] O=[N+]([O-])c1ccc(cc1F)CN[*:1]
CN(C)C(=O)CNCc1ccc([N+](=O)[O-])c(F)c1 CN(C)C(=O)[*:1] O=[N+]([O-])c1ccc(cc1F)CNC[*:1]
CN(C)C(=O)CNCc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] CN(C)C(=O)CNCc1ccc(c(F)c1)[*:1]
CCc1ccccc1N1C[C@H](C(=O)N2CCOC[C@H]2C#N)CC1=O CCc1ccccc1[*:1] N#C[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H]1CC[C@H]([NH3+])[C@H](C(=O)N(C)CC(C)(C)O)C1 CC(C)(O)C[*:1] C[C@@H]1CC[C@H]([NH3+])[C@@H](C1)C(=O)N(C)[*:1]
C[C@@H]1CC[C@H]([NH3+])[C@H](C(=O)N(C)CC(C)(C)O)C1 CC(C)(O)[*:1] C[C@@H]1CC[C@H]([NH3+])[C@@H](C1)C(=O)N(C)C[*:1]
CC(C)(CO)CCCNC(=O)NC1CCC(c2ccccc2)CC1 CC(C)(CO)[*:1] O=C(NCCC[*:1])NC1CCC(CC1)c1ccccc1
CC(C)(CO)CCCNC(=O)NC1CCC(c2ccccc2)CC1 CC(C)(CO)CC[*:1] O=C(NC[*:1])NC1CCC(CC1)c1ccccc1
CC(C)(CO)CCCNC(=O)NC1CCC(c2ccccc2)CC1 CC(C)(CO)CCC[*:1] O=C(NC1CCC(CC1)c1ccccc1)N[*:1]
CC(C)(CO)CCCNC(=O)NC1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(CO)CCCNC(=O)NC1CCC(CC1)[*:1]
CC(C)(CO)CCCNC(=O)NC1CCC(c2ccccc2)CC1 CC(C)(CO)C[*:1] O=C(NCC[*:1])NC1CCC(CC1)c1ccccc1
C[C@@H](CS)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O C[C@@H](CS)C[*:1] O=c1c2cc(ccc2ncn1[*:1])[N+](=O)[O-]
C[C@@H](CS)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O O=[N+]([O-])[*:1] C[C@@H](CS)Cn1cnc2ccc(cc2c1=O)[*:1]
C[C@@H]1C[C@@H](C)CN(c2nnc(SCc3ccccn3)n2Cc2ccco2)C1 c1coc(c1)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1nnc(SCc2ccccn2)n1[*:1]
C[C@@H]1C[C@@H](C)CN(c2nnc(SCc3ccccn3)n2Cc2ccco2)C1 c1ccc(CS[*:1])nc1 C[C@@H]1C[C@@H](C)CN(C1)c1nnc(n1Cc1ccco1)[*:1]
C[C@@H]1C[C@@H](C)CN(c2nnc(SCc3ccccn3)n2Cc2ccco2)C1 c1ccc(nc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1nnc(SC[*:1])n1Cc1ccco1
C[C@@H]1C[C@@H](C)CN(c2nnc(SCc3ccccn3)n2Cc2ccco2)C1 c1ccc(C[*:1])nc1 C[C@@H]1C[C@@H](C)CN(C1)c1nnc(S[*:1])n1Cc1ccco1
C[C@@H]1C[C@@H](C)CN(c2nnc(SCc3ccccn3)n2Cc2ccco2)C1 c1coc(c1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1nnc(SCc2ccccn2)n1C[*:1]
CN(C(=O)CSc1nncn1-c1ccccc1F)[C@@]1(c2ccccc2Cl)CCCCC1=O Clc1ccccc1[*:1] CN(C(=O)CSc1nncn1-c1ccccc1F)[C@]1(CCCCC1=O)[*:1]
CN(C(=O)CSc1nncn1-c1ccccc1F)[C@@]1(c2ccccc2Cl)CCCCC1=O Fc1ccccc1[*:1] CN(C(=O)CSc1nncn1[*:1])[C@]1(CCCCC1=O)c1ccccc1Cl
CC[C@@H](C)[C@@H](C[NH2+]C1CC1)c1ccc(F)cc1Cl C1CC1[*:1] CC[C@@H](C)[C@@H](C[NH2+][*:1])c1ccc(F)cc1Cl
CC[C@@H](C)[C@@H](C[NH2+]C1CC1)c1ccc(F)cc1Cl CC[C@@H](C)[*:1] Fc1ccc(c(Cl)c1)[C@H](C[NH2+]C1CC1)[*:1]
Cc1nnc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)s1 Cc1nnc(N[*:1])s1 C[C@H]([NH2+]C1(CCOCC1)C[*:1])c1ccccc1
Cc1nnc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)s1 c1ccc(cc1)[*:1] Cc1nnc(NCC2(CCOCC2)[NH2+][C@@H](C)[*:1])s1
Cc1nnc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)s1 Cc1nnc(s1)[*:1] C[C@H]([NH2+]C1(CCOCC1)CN[*:1])c1ccccc1
O=C1C(=O)N(CN2CCCOC2)c2ccccc21 C1COCN(C1)[*:1] O=C1C(=O)N(C[*:1])c2ccccc21
CC(=O)N1CCN(CCNC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)CC1 CC(=O)N1CCN(CC1)[*:1] C[C@@H]1C[C@H]1C(=O)Nc1ccc(cc1)C(=O)NCC[*:1]
CCC[C@H]1CN(C(=O)c2cccc[n+]2[O-])CCO1 CCC[*:1] O=C(c1cccc[n+]1[O-])N1CCO[C@H](C1)[*:1]
CS[C@H]1CC[C@H](NC(=O)COC2CCCC2)C1 C1CCC(C1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)CO[*:1]
O=C(NC[C@@H]1CC[C@@H](C(=O)[O-])O1)c1cc(Cl)ccc1Cl O=C([O-])[*:1] O=C(NC[C@@H]1CC[C@@H](O1)[*:1])c1cc(Cl)ccc1Cl
CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCC4)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)CSc2nc3sc4CCCc4c3c(=O)n2C)c(C)c1[*:1]
CCC[NH2+][C@@H](c1occc1C)[C@H](C)c1ccncc1 Cc1ccoc1[*:1] CCC[NH2+][C@@H]([C@H](C)c1ccncc1)[*:1]
CCC[NH2+][C@@H](c1occc1C)[C@H](C)c1ccncc1 CCC[*:1] Cc1ccoc1[C@H]([NH2+][*:1])[C@H](C)c1ccncc1
CCC[NH2+][C@@H](c1occc1C)[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] CCC[NH2+][C@@H](c1occc1C)[C@H](C)[*:1]
Cc1c(C(=O)N[C@@H](Cc2ccccc2)C2CC2)oc2c1C(=O)CCC2 c1ccc(cc1)C[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N[C@@H](C1CC1)[*:1]
Cc1c(C(=O)N[C@@H](Cc2ccccc2)C2CC2)oc2c1C(=O)CCC2 C1CC1[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N[C@@H](Cc1ccccc1)[*:1]
Cc1c(C(=O)N[C@@H](Cc2ccccc2)C2CC2)oc2c1C(=O)CCC2 c1ccc(cc1)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N[C@@H](C[*:1])C1CC1
COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc3nc(C)sc3c2)C(C)C)cc1 COc1ccc(cc1)[*:1] Cc1nc2ccc(cc2s1)NC(=O)[C@H](NC(=O)[*:1])C(C)C
COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc3nc(C)sc3c2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)N[C@@H](C(=O)Nc1ccc2nc(C)sc2c1)[*:1]
COc1cc(CNC[C@@](C)(O)c2ccsc2)c([N+](=O)[O-])cc1O c1cc(cs1)[*:1] COc1cc(CNC[C@@](C)(O)[*:1])c(cc1O)[N+](=O)[O-]
COc1cc(CNC[C@@](C)(O)c2ccsc2)c([N+](=O)[O-])cc1O O=[N+]([O-])[*:1] COc1cc(CNC[C@@](C)(O)c2ccsc2)c(cc1O)[*:1]
CCC[NH2+][C@@H](CC)CC[C@H]1CCOC2(CCSCC2)C1 CCC[*:1] CC[C@@H](CC[C@H]1CCOC2(CCSCC2)C1)[NH2+][*:1]
COc1ccc2occ(/C(C)=N/O)c2c1 CC(=NO)[*:1] COc1ccc2occ(c2c1)[*:1]
CCN(Cc1ccccc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] CCN(C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[*:1]
CCN(Cc1ccccc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
CCN(Cc1ccccc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(cc1)[*:1]
O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(C2=CN=NC2)nc2cc(Cl)ccc12 O=S1(=O)CC[C@H](C1)[*:1] O=C(N[*:1])c1cc(nc2cc(Cl)ccc12)C1=CN=NC1
N#Cc1ccnc(N2CCN(C(=O)NCCCn3cncn3)CC2)c1 c1ncn(C[*:1])n1 N#Cc1ccnc(c1)N1CCN(CC1)C(=O)NCC[*:1]
N#Cc1ccnc(N2CCN(C(=O)NCCCn3cncn3)CC2)c1 c1ncn(n1)[*:1] N#Cc1ccnc(c1)N1CCN(CC1)C(=O)NCCC[*:1]
N#Cc1ccnc(N2CCN(C(=O)NCCCn3cncn3)CC2)c1 N#Cc1ccnc(c1)[*:1] O=C(NCCCn1cncn1)N1CCN(CC1)[*:1]
N#Cc1ccnc(N2CCN(C(=O)NCCCn3cncn3)CC2)c1 c1ncn(CCC[*:1])n1 N#Cc1ccnc(c1)N1CCN(CC1)C(=O)N[*:1]
N#Cc1ccnc(N2CCN(C(=O)NCCCn3cncn3)CC2)c1 c1ncn(CC[*:1])n1 N#Cc1ccnc(c1)N1CCN(CC1)C(=O)NC[*:1]
C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cnn3ccccc23)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)N(CC[*:1])C(=O)c1cnn2ccccc12
C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cnn3ccccc23)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCC(CC1)N(C[*:1])C(=O)c1cnn2ccccc12
C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cnn3ccccc23)CC1 c1ccc(cc1)CC[*:1] C[NH+]1CCC(CC1)N(C(=O)c1cnn2ccccc12)[*:1]
C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cnn3ccccc23)CC1 c1ccn2ncc(c2c1)[*:1] C[NH+]1CCC(CC1)N(CCc1ccccc1)C(=O)[*:1]
N#Cc1ccc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)nc1 FC(F)(F)CO[*:1] N#Cc1ccc(nc1)-c1noc(n1)-c1ccc(nc1)[*:1]
N#Cc1ccc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)nc1 FC(F)(F)[*:1] N#Cc1ccc(nc1)-c1noc(n1)-c1ccc(nc1)OC[*:1]
N#Cc1ccc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)nc1 N#Cc1ccc(nc1)[*:1] FC(F)(F)COc1ccc(cn1)-c1nc(no1)[*:1]
N#Cc1ccc(-c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)nc1 FC(F)(F)C[*:1] N#Cc1ccc(nc1)-c1noc(n1)-c1ccc(nc1)O[*:1]
C[C@H]1C[C@H]1NC(=O)CC[C@H]1NC(=O)NC1=O C[C@H]1C[C@@H]1[*:1] O=C(CC[C@H]1NC(=O)NC1=O)N[*:1]
N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)N[*:1]
N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc2ccccc2c1 O=C(C[*:1])NCc1ccco1 N#C/C(=C\c1cn(c2ccccc12)[*:1])C(=O)Nc1ccc2ccccc2c1
N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc2ccccc2c1 O=C(NCc1ccco1)[*:1] N#C/C(=C\c1cn(C[*:1])c2ccccc12)C(=O)Nc1ccc2ccccc2c1
N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc2ccccc2c1 c1coc(c1)C[*:1] N#C/C(=C\c1cn(CC(=O)N[*:1])c2ccccc12)C(=O)Nc1ccc2ccccc2c1
N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc2ccccc2c1 c1coc(c1)[*:1] N#C/C(=C\c1cn(CC(=O)NC[*:1])c2ccccc12)C(=O)Nc1ccc2ccccc2c1
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)cc(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1cc(/C=C(\C#N)C(=O)NC[*:1])cc(c1)OC
C[C@H](CCc1cccn1C)Nc1cnc2ccccc2n1 Cn1cccc1C[*:1] C[C@H](C[*:1])Nc1cnc2ccccc2n1
C[C@H](CCc1cccn1C)Nc1cnc2ccccc2n1 Cn1cccc1[*:1] C[C@H](CC[*:1])Nc1cnc2ccccc2n1
O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1 O=[N+]([O-])[*:1] O=C1NC(=O)C2(Cc3cc(ccc3N3CCCC[C@H]32)[*:1])C(=O)N1
CCOCCN(C)C(=O)C(F)(F)c1ccccn1 c1ccc(nc1)[*:1] CCOCCN(C)C(=O)C(F)(F)[*:1]
CCOCCN(C)C(=O)C(F)(F)c1ccccn1 CCOCC[*:1] CN(C(=O)C(F)(F)c1ccccn1)[*:1]
CCOCCN(C)C(=O)C(F)(F)c1ccccn1 CCO[*:1] CN(CC[*:1])C(=O)C(F)(F)c1ccccn1
CCOCCN(C)C(=O)C(F)(F)c1ccccn1 CCOC[*:1] CN(C[*:1])C(=O)C(F)(F)c1ccccn1
CC[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)[*:1]
COc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1F Clc1ccc(cc1)O[*:1] COc1ccc(cc1F)[C@@H](C)NC(=O)C(C)(C)[*:1]
COc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1F Clc1ccc(cc1)[*:1] COc1ccc(cc1F)[C@@H](C)NC(=O)C(C)(C)O[*:1]
COc1ccccc1NC(=O)CSc1nnc(C)n1-n1cccc1 COc1ccccc1[*:1] Cc1nnc(SCC(=O)N[*:1])n1-n1cccc1
CCOC(=O)C1CCN(c2n[nH+]c(N3CCCCC3)c3ccccc23)CC1 C1CCN(CC1)[*:1] CCOC(=O)C1CCN(CC1)c1n[nH+]c(c2ccccc12)[*:1]
CCOC(=O)C1CCN(c2n[nH+]c(N3CCCCC3)c3ccccc23)CC1 CCOC(=O)[*:1] c1ccc2c([nH+]nc(c2c1)N1CCC(CC1)[*:1])N1CCCCC1
O=C(C[n+]1cccc(Br)c1)c1ccc(F)c2ccccc12 Brc1ccc[n+](c1)[*:1] O=C(C[*:1])c1ccc(F)c2ccccc12
Cc1cc(CC(=O)NC[C@H]2OCCc3sccc32)no1 Cc1cc(no1)[*:1] O=C(C[*:1])NC[C@H]1OCCc2sccc21
COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 COC(=O)[*:1] O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2ccc(cc21)[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)NCCC(C)C)c1 CC(C)C[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)C(=O)NC[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)NCCC(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)C(=O)NCC[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)NCCC(C)C)c1 CC(C)CC[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)C(=O)N[*:1]
CCCCn1ncc(C(=O)Nc2ccccc2C(=O)C(C)C)c1C CC(C)C(=O)[*:1] CCCCn1ncc(C(=O)Nc2ccccc2[*:1])c1C
CCCCn1ncc(C(=O)Nc2ccccc2C(=O)C(C)C)c1C CCC[*:1] Cc1c(cnn1C[*:1])C(=O)Nc1ccccc1C(=O)C(C)C
CCCCn1ncc(C(=O)Nc2ccccc2C(=O)C(C)C)c1C CC(C)[*:1] CCCCn1ncc(C(=O)Nc2ccccc2C(=O)[*:1])c1C
CCCCn1ncc(C(=O)Nc2ccccc2C(=O)C(C)C)c1C CCCC[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccccc1C(=O)C(C)C
CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N(C)Cc1nc2cc(Cl)ccc2[nH]1 CC(C)[*:1] C[C@@H](C(=O)N(C)Cc1nc2cc(Cl)ccc2[nH]1)n1cc[nH+]c1[*:1]
CCN1C(=O)C=C(Nc2ccc(OCCO)cc2)C1=O OCCO[*:1] CCN1C(=O)C=C(Nc2ccc(cc2)[*:1])C1=O
CCN1C(=O)C=C(Nc2ccc(OCCO)cc2)C1=O OCC[*:1] CCN1C(=O)C=C(Nc2ccc(cc2)O[*:1])C1=O
CN(C(=O)C[C@@H]1CCCCO1)c1ccccc1N C1CC[C@H](OC1)[*:1] CN(C(=O)C[*:1])c1ccccc1N
C[C@H]1C[NH2+][C@H](C)CN1C(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] C[C@H]1C[NH2+][C@H](C)CN1C(=O)c1cc(ccc1F)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)COc1ccccc1)C2 c1ccc(cc1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)/C(C2)=N/OC(=O)CO[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)COc1ccccc1)C2 c1ccc(cc1)O[*:1] CC1(C)[C@@H]2CC[C@@]1(C)/C(C2)=N/OC(=O)C[*:1]
Cc1noc(CCC(=O)Nc2ncc(Cc3cccc(F)c3)s2)n1 Cc1noc(CC[*:1])n1 O=C(Nc1ncc(Cc2cccc(F)c2)s1)[*:1]
Cc1noc(CCC(=O)Nc2ncc(Cc3cccc(F)c3)s2)n1 Fc1cccc(c1)[*:1] Cc1noc(CCC(=O)Nc2ncc(C[*:1])s2)n1
Cc1noc(CCC(=O)Nc2ncc(Cc3cccc(F)c3)s2)n1 Cc1noc(n1)[*:1] O=C(CC[*:1])Nc1ncc(Cc2cccc(F)c2)s1
Cc1noc(CCC(=O)Nc2ncc(Cc3cccc(F)c3)s2)n1 Fc1cccc(c1)C[*:1] Cc1noc(CCC(=O)Nc2ncc(s2)[*:1])n1
Cc1noc(CCC(=O)Nc2ncc(Cc3cccc(F)c3)s2)n1 Cc1noc(C[*:1])n1 O=C(C[*:1])Nc1ncc(Cc2cccc(F)c2)s1
Cn1cccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1=O Cn1cccc(c1=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NCCC(=O)N[*:1]
Cn1cccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c1=O CC(C)(C)[*:1] Cn1cccc(NC(=O)CCNC(=O)c2ccc(cc2)[*:1])c1=O
CN(c1ccccc1)c1ccccc1NC(=O)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1 CN(c1ccccc1)[*:1] O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1ccccc1[*:1]
CN(c1ccccc1)c1ccccc1NC(=O)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1 c1ccc(cc1)[*:1] CN(c1ccccc1NC(=O)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)[*:1]
C[NH2+]Cc1cnn(-c2cccc(F)c2)c1C(C)C CC(C)[*:1] C[NH2+]Cc1cnn(-c2cccc(F)c2)c1[*:1]
CC(C)(C)OC(=O)C1=C(C(=O)[O-])C[C@@H]([NH3+])C=C1 O=C([O-])[*:1] CC(C)(C)OC(=O)C1C=C[C@H]([NH3+])CC=1[*:1]
CC(C)(C)OC(=O)C1=C(C(=O)[O-])C[C@@H]([NH3+])C=C1 CC(C)(C)[*:1] [NH3+][C@H]1C=CC(C(=O)O[*:1])=C(C1)C(=O)[O-]
COc1ccc(-c2nc(C)sc2C(=O)Nc2cccc3[nH]ccc23)cc1 COc1ccc(cc1)[*:1] Cc1nc(c(s1)C(=O)Nc1cccc2[nH]ccc12)[*:1]
COC(C)(C)CNC(=O)c1cccc2ccc(C)nc12 COC(C)(C)[*:1] Cc1ccc2cccc(C(=O)NC[*:1])c2n1
COC(C)(C)CNC(=O)c1cccc2ccc(C)nc12 COC(C)(C)C[*:1] Cc1ccc2cccc(C(=O)N[*:1])c2n1
Cc1ccc(NC(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1Cl C1CC1[*:1] Cc1ccc(cc1Cl)NC(=O)NC[C@@H]1CN(CCO1)[*:1]
Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)Cc2ccccc2C)cn1 Cc1ccccc1[*:1] Cc1ccc(cn1)-c1c(cnn1CCNC(=O)C[*:1])-c1cc(C)no1
Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)Cc2ccccc2C)cn1 Cc1ccc(cn1)[*:1] Cc1cc(on1)-c1cnn(CCNC(=O)Cc2ccccc2C)c1[*:1]
Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)Cc2ccccc2C)cn1 Cc1ccccc1C[*:1] Cc1ccc(cn1)-c1c(cnn1CCNC(=O)[*:1])-c1cc(C)no1
Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)Cc2ccccc2C)cn1 Cc1cc(on1)[*:1] Cc1ccc(cn1)-c1c(cnn1CCNC(=O)Cc1ccccc1C)[*:1]
O=C(NCCc1ccccc1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2ccc(F)cc2)=N1 c1ccc(cc1)[*:1] O=C(NCC[*:1])C1=CC2=c3ccccc3=[NH+][C@H]2C(=N1)c1ccc(F)cc1
O=C(NCCc1ccccc1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2ccc(F)cc2)=N1 c1ccc(cc1)CC[*:1] O=C(N[*:1])C1=CC2=c3ccccc3=[NH+][C@H]2C(=N1)c1ccc(F)cc1
O=C(NCCc1ccccc1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2ccc(F)cc2)=N1 Fc1ccc(cc1)[*:1] O=C(NCCc1ccccc1)C1=CC2=c3ccccc3=[NH+][C@H]2C(=N1)[*:1]
O=C(NCCc1ccccc1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2ccc(F)cc2)=N1 c1ccc(cc1)C[*:1] O=C(NC[*:1])C1=CC2=c3ccccc3=[NH+][C@H]2C(=N1)c1ccc(F)cc1
COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC(=O)Nc2c(cn(c21)[*:1])C(=O)[O-]
COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc(OC)c1OC O=C([O-])[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC(=O)Nc2c(cn(-c3ccccc3)c21)[*:1]
CC(=O)NCCNC(=O)Nc1cc(C(F)(F)F)ccc1F CC(=O)N[*:1] O=C(NCC[*:1])Nc1cc(ccc1F)C(F)(F)F
CC(=O)NCCNC(=O)Nc1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CC(=O)NCCNC(=O)Nc1cc(ccc1F)[*:1]
CC(=O)NCCNC(=O)Nc1cc(C(F)(F)F)ccc1F CC(=O)NCC[*:1] O=C(Nc1cc(ccc1F)C(F)(F)F)N[*:1]
CC(=O)NCCNC(=O)Nc1cc(C(F)(F)F)ccc1F CC(=O)NC[*:1] O=C(NC[*:1])Nc1cc(ccc1F)C(F)(F)F
Cc1cnc2c(S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O)cccc2c1 CS(=O)(=O)C[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N(C)[C@H](C)[*:1]
Cc1cnc2c(S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O)cccc2c1 CS(=O)(=O)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N(C)[C@H](C)C[*:1]
O=C([O-])c1cc(-c2cccc(Cl)c2)oc1C(F)(F)F O=C([O-])[*:1] FC(F)(F)c1oc(cc1[*:1])-c1cccc(Cl)c1
O=C([O-])c1cc(-c2cccc(Cl)c2)oc1C(F)(F)F FC(F)(F)[*:1] O=C([O-])c1cc(oc1[*:1])-c1cccc(Cl)c1
CCN1CCO[C@H](Cn2ccc([C@H](O)C3CC3)c2)C1 C1CC1[*:1] CCN1CCO[C@@H](C1)Cn1ccc(c1)[C@H](O)[*:1]
CCN1CCO[C@H](Cn2ccc([C@H](O)C3CC3)c2)C1 O[C@H](C1CC1)[*:1] CCN1CCO[C@@H](C1)Cn1ccc(c1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(C)n2)C1 CCOC(=O)[*:1] Cc1cccc(n1)C(=O)N1CCC[C@@H](C1)[*:1]
CCn1nccc1-c1cc(C(=O)[O-])n2nc3nc(C(F)(F)F)cc(C4CC4)c3c2n1 O=C([O-])[*:1] CCn1nccc1-c1cc(n2nc3nc(cc(c3c2n1)C1CC1)C(F)(F)F)[*:1]
CCn1nccc1-c1cc(C(=O)[O-])n2nc3nc(C(F)(F)F)cc(C4CC4)c3c2n1 C1CC1[*:1] CCn1nccc1-c1cc(C(=O)[O-])n2nc3nc(cc(c3c2n1)[*:1])C(F)(F)F
CCn1nccc1-c1cc(C(=O)[O-])n2nc3nc(C(F)(F)F)cc(C4CC4)c3c2n1 CCn1nccc1[*:1] O=C([O-])c1cc(nc2c3c(cc(nc3nn12)C(F)(F)F)C1CC1)[*:1]
CCn1nccc1-c1cc(C(=O)[O-])n2nc3nc(C(F)(F)F)cc(C4CC4)c3c2n1 FC(F)(F)[*:1] CCn1nccc1-c1cc(C(=O)[O-])n2nc3nc(cc(c3c2n1)C1CC1)[*:1]
CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 CNc1snc(C)c1[*:1] C[C@H](OC(=O)[*:1])C(=O)N[C@H]1CCOc2ccccc21
C[C@@H](CC#N)N(C)c1cc(Cl)nc(N)n1 N#CC[*:1] C[C@@H](N(C)c1cc(Cl)nc(N)n1)[*:1]
C[C@@H](CC#N)N(C)c1cc(Cl)nc(N)n1 C[C@@H](CC#N)[*:1] CN(c1cc(Cl)nc(N)n1)[*:1]
C[C@@H]1CCN(C(=S)NCCCN2CCOCC2)[C@@H]2CCCC[C@H]12 C1CN(CCO1)C[*:1] C[C@@H]1CCN(C(=S)NCC[*:1])[C@@H]2CCCC[C@H]12
C[C@@H]1CCN(C(=S)NCCCN2CCOCC2)[C@@H]2CCCC[C@H]12 C1CN(CCO1)[*:1] C[C@@H]1CCN(C(=S)NCCC[*:1])[C@@H]2CCCC[C@H]12
Cc1ccc(CC[C@@H](O)Cc2nc3ccccc3o2)cc1 Cc1ccc(cc1)[*:1] O[C@H](CC[*:1])Cc1nc2ccccc2o1
O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1I c1ccc(cc1)C[*:1] O=C(CN1CC[NH+](CC1)C[*:1])Nc1ccccc1I
O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1I Ic1ccccc1[*:1] O=C(CN1CC[NH+](CCc2ccccc2)CC1)N[*:1]
O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1I c1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC1)CC[*:1])Nc1ccccc1I
O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1I c1ccc(cc1)CC[*:1] O=C(CN1CC[NH+](CC1)[*:1])Nc1ccccc1I
CN(Cc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 c1ccc(cc1)C[*:1] CN(C(=O)c1cccc(c1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
CN(Cc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 Clc1ccc(Cl)c(c1)[*:1] CN(Cc1ccccc1)C(=O)c1cccc(c1)[N-]S(=O)(=O)[*:1]
CN(Cc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl
CN(C)C(=O)C[C@H](C[NH3+])N(C)CCc1cccs1 c1csc(c1)C[*:1] CN(C)C(=O)C[C@H](C[NH3+])N(C)C[*:1]
CN(C)C(=O)C[C@H](C[NH3+])N(C)CCc1cccs1 CN(C)C(=O)C[*:1] CN(CCc1cccs1)[C@@H](C[NH3+])[*:1]
CN(C)C(=O)C[C@H](C[NH3+])N(C)CCc1cccs1 c1csc(c1)[*:1] CN(C)C(=O)C[C@H](C[NH3+])N(C)CC[*:1]
CN(C)C(=O)C[C@H](C[NH3+])N(C)CCc1cccs1 CN(C)C(=O)[*:1] CN(CCc1cccs1)[C@@H](C[NH3+])C[*:1]
COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(Br)c(C)c1 COC(=O)[*:1] Cc1cc(ccc1Br)CN1C[C@@H](O)C[C@H]1[*:1]
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C CC(=O)[*:1] C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@]2(O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)cc1C Fc1ccc(cc1)C[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)N(C1CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)N(C[*:1])C1CC1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N(Cc1ccc(F)cc1)C1CC1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)N(Cc1ccc(F)cc1)[*:1]
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccccc1)[*:1]
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)cc1 CCS(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccccc1)c1nc2ccccc2s1
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)cc1 c1ccc(cc1)[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)N(C[*:1])c1nc2ccccc2s1
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)cc1 c1ccc(cc1)C[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)N(c1nc2ccccc2s1)[*:1]
COc1cccc([C@@H]2CN(C(=O)CSc3nc(C)n[nH]3)C[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)[C@@H]1CN(C[C@@H]1[*:1])C(=O)CSc1nc(C)n[nH]1
COc1cccc([C@@H]2CN(C(=O)CSc3nc(C)n[nH]3)C[C@H]2C(=O)[O-])c1 Cc1n[nH]c(n1)S[*:1] COc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)C[*:1]
COc1cccc([C@@H]2CN(C(=O)CSc3nc(C)n[nH]3)C[C@H]2C(=O)[O-])c1 Cc1n[nH]c(n1)[*:1] COc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)CS[*:1]
COc1cccc([C@@H]2CN(C(=O)CSc3nc(C)n[nH]3)C[C@H]2C(=O)[O-])c1 COc1cccc(c1)[*:1] Cc1n[nH]c(n1)SCC(=O)N1C[C@@H](C(=O)[O-])[C@@H](C1)[*:1]
COc1cccc([C@@H]2CN(C(=O)CSc3nc(C)n[nH]3)C[C@H]2C(=O)[O-])c1 Cc1n[nH]c(n1)SC[*:1] COc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)[*:1]
CC(C)(C)c1ccc(C(=O)CSc2nncc3ccccc23)cc1 CC(C)(C)[*:1] O=C(CSc1nncc2ccccc12)c1ccc(cc1)[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)Cc3c(F)cccc3Cl)ccc21 Fc1cccc(Cl)c1[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)N(C)C[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)Cc3c(F)cccc3Cl)ccc21 Fc1cccc(Cl)c1C[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)N(C)[*:1]
CCCC(=O)NC(=S)Nc1ccc(I)c(C)n1 CCC[*:1] Cc1nc(ccc1I)NC(=S)NC(=O)[*:1]
O=C(Nc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])N[C@@H](c1nnc(o1)-c1ccccc1)[*:1]
O=C(Nc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 O=[N+]([O-])c1ccccc1[*:1] O=C(N[C@@H](c1ccccc1)c1nnc(o1)-c1ccccc1)N[*:1]
O=C(Nc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1[*:1])N[C@@H](c1ccccc1)c1nnc(o1)-c1ccccc1
O=C(Nc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1nnc(o1)[*:1]
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)COCc1ccccc1 O=C([O-])[*:1] C[C@@H]1[C@H](CCN1C(=O)COCc1ccccc1)[*:1]
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)COCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1[C@@H](CCN1C(=O)COC[*:1])C(=O)[O-]
C[C@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] C[C@H](Sc1nc2ccccc2n1C1CCCCC1)[*:1]
C[C@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)NCC(F)(F)F C1CCC(CC1)[*:1] C[C@H](Sc1nc2ccccc2n1[*:1])C(=O)NCC(F)(F)F
C[C@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)N[*:1]
C[C@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)NC[*:1]
C[C@@H](CNC(=O)NC[C@@](C)(O)c1ccco1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NC[C@@](C)(O)c1ccco1)c1nc(no1)[*:1]
C[C@@H](CNC(=O)NC[C@@](C)(O)c1ccco1)c1nc(-c2ccccc2)no1 c1coc(c1)[*:1] C[C@@H](CNC(=O)NC[C@@](C)(O)[*:1])c1nc(no1)-c1ccccc1
COc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)c1 COc1cccc(c1)[*:1] Cc1ccc(OCCn2c(nc3ccccc32)[C@@H]2CC(=O)N(C2)[*:1])c(C)c1
COc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)c1 Cc1ccc(OC[*:1])c(C)c1 COc1cccc(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
COc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)c1 Cc1ccc(c(C)c1)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1CCO[*:1]
COc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)c1 Cc1ccc(O[*:1])c(C)c1 COc1cccc(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1CC[*:1]
COc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)c1 Cc1ccc(OCC[*:1])c(C)c1 COc1cccc(c1)N1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
O=C(c1ccc(-n2cccn2)cc1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(c1ccc(cc1)-n1cccn1)N1CCC(CC1)O[*:1]
O=C(c1ccc(-n2cccn2)cc1)N1CCC(OCc2ccc(F)cc2)CC1 c1cnn(c1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(c1ccc(-n2cccn2)cc1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(cc1)-n1cccn1)N1CCC(CC1)OC[*:1]
O=C(c1ccc(-n2cccn2)cc1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C(c1ccc(cc1)-n1cccn1)N1CCC(CC1)[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(-c2ncon2)c1 c1nc(no1)[*:1] CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(c1)[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(-c2ncon2)c1 CC(C)[*:1] C[C@H](O)CN(C(=O)Nc1cccc(c1)-c1ncon1)[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(-c2ncon2)c1 C[C@H](O)C[*:1] CC(C)N(C(=O)Nc1cccc(c1)-c1ncon1)[*:1]
O=C([O-])c1oc2cccc3c2c1CCC3 O=C([O-])[*:1] c1cc2CCCc3c(oc(c1)c23)[*:1]
COCC[C@@H](C)NS(=O)(=O)c1cc(C)c(C)s1 COCC[*:1] Cc1cc(sc1C)S(=O)(=O)N[C@H](C)[*:1]
COCC[C@@H](C)NS(=O)(=O)c1cc(C)c(C)s1 COC[*:1] Cc1cc(sc1C)S(=O)(=O)N[C@H](C)C[*:1]
COc1cccc(C(=O)NCc2ccc3c(c2)=C2CCCC[C@H]2[NH+]=3)c1 COc1cccc(c1)[*:1] O=C(NCc1ccc2=[NH+][C@@H]3CCCCC3=c2c1)[*:1]
CC(=O)NCc1ccc(C2=NN=C(NC3CCCCC3)SC2)cc1 CC(=O)NC[*:1] c1cc(ccc1C1CSC(=NN=1)NC1CCCCC1)[*:1]
CC(=O)NCc1ccc(C2=NN=C(NC3CCCCC3)SC2)cc1 CC(=O)N[*:1] c1cc(ccc1C[*:1])C1CSC(=NN=1)NC1CCCCC1
CC(=O)NCc1ccc(C2=NN=C(NC3CCCCC3)SC2)cc1 C1CCC(CC1)[*:1] CC(=O)NCc1ccc(cc1)C1CSC(=NN=1)N[*:1]
C=CCN(Cc1cccs1)C(=O)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] C=CCN(Cc1cccs1)C(=O)c1csc(n1)[*:1]
C=CCN(Cc1cccs1)C(=O)c1csc(-c2cccs2)n1 c1csc(c1)C[*:1] C=CCN(C(=O)c1csc(n1)-c1cccs1)[*:1]
C=CCN(Cc1cccs1)C(=O)c1csc(-c2cccs2)n1 C=CC[*:1] O=C(c1csc(n1)-c1cccs1)N(Cc1cccs1)[*:1]
C=CCN(Cc1cccs1)C(=O)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)c1csc(n1)-c1cccs1
C[C@H]1CN(CCNC(=O)Cc2coc(-c3cccs3)n2)C[C@@H](C)O1 c1csc(c1)[*:1] C[C@H]1CN(CCNC(=O)Cc2coc(n2)[*:1])C[C@@H](C)O1
COCc1cccc(CNC(=O)Nc2ccc(OC)nc2)c1 COC[*:1] COc1ccc(cn1)NC(=O)NCc1cccc(c1)[*:1]
O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(CC1)[*:1]
O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccc(F)cc2)CC1 Clc1ccc(Cl)c(c1)[*:1] O=C(CNS(=O)(=O)[*:1])N1CCN(CC1)c1ccc(F)cc1
CCC[NH2+][C@H](c1ccc(CC)s1)[C@]1(C)CCCO1 CCC[*:1] CCc1ccc(s1)[C@@H]([NH2+][*:1])[C@]1(C)CCCO1
CCC[NH2+][C@H](c1ccc(CC)s1)[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] CCC[NH2+][C@H](c1ccc(CC)s1)[*:1]
O=C(CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(F)cc1)N1CCNCC1 O=C(C[*:1])N1CCNCC1 O=C(c1ccc(F)cc1)N(Cc1ccc(Br)cc1)C[*:1]
O=C(CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(F)cc1)N1CCNCC1 Fc1ccc(cc1)[*:1] O=C(CCN(Cc1ccc(Br)cc1)C(=O)[*:1])N1CCNCC1
O=C(CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(F)cc1)N1CCNCC1 Brc1ccc(cc1)[*:1] O=C(CCN(C[*:1])C(=O)c1ccc(F)cc1)N1CCNCC1
O=C(CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(F)cc1)N1CCNCC1 Brc1ccc(cc1)C[*:1] O=C(CCN(C(=O)c1ccc(F)cc1)[*:1])N1CCNCC1
O=C(CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(F)cc1)N1CCNCC1 O=C(N1CCNCC1)[*:1] O=C(c1ccc(F)cc1)N(CC[*:1])Cc1ccc(Br)cc1
CNC(=O)NC(=O)CSc1nc(C)c(C)n1C1CCCCC1 C1CCC(CC1)[*:1] CNC(=O)NC(=O)CSc1nc(C)c(C)n1[*:1]
CNC(=O)NC(=O)CSc1nc(C)c(C)n1C1CCCCC1 CNC(=O)NC(=O)[*:1] Cc1nc(SC[*:1])n(c1C)C1CCCCC1
COC(=O)CCC1CCN(C(=O)NCc2ncn(C)n2)CC1 COC(=O)CC[*:1] Cn1cnc(CNC(=O)N2CCC(CC2)[*:1])n1
COC(=O)CCC1CCN(C(=O)NCc2ncn(C)n2)CC1 Cn1cnc(C[*:1])n1 COC(=O)CCC1CCN(CC1)C(=O)N[*:1]
COC(=O)CCC1CCN(C(=O)NCc2ncn(C)n2)CC1 COC(=O)[*:1] Cn1cnc(CNC(=O)N2CCC(CC2)CC[*:1])n1
COC(=O)CCC1CCN(C(=O)NCc2ncn(C)n2)CC1 COC(=O)C[*:1] Cn1cnc(CNC(=O)N2CCC(CC2)C[*:1])n1
COC(=O)CCC1CCN(C(=O)NCc2ncn(C)n2)CC1 Cn1cnc(n1)[*:1] COC(=O)CCC1CCN(CC1)C(=O)NC[*:1]
Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](c1ccccc1)C1CC1 C1CC1[*:1] Cc1nc2[C@H](CCCn2n1)[NH2+][C@H](c1ccccc1)[*:1]
Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] Cc1nc2[C@H](CCCn2n1)[NH2+][C@H](C1CC1)[*:1]
C[NH2+][C@@H](Cc1nc(C(C)(C)C)cs1)c1cccs1 CC(C)(C)[*:1] C[NH2+][C@@H](Cc1nc(cs1)[*:1])c1cccs1
C[NH2+][C@@H](Cc1nc(C(C)(C)C)cs1)c1cccs1 c1csc(c1)[*:1] C[NH2+][C@@H](Cc1nc(cs1)C(C)(C)C)[*:1]
COc1ccc(-c2cnnn2-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1cnnn1-c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
COc1ccc(-c2cnnn2-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(cc1)-n1nncc1[*:1])N1CCN(CC1)c1ccccc1
C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(C(=O)NC3CC3)c1)CS2 O=C(NC1CC1)[*:1] C[C@]12CCC(=O)N1[C@@H](CS2)C(=O)Nc1cccc(c1)[*:1]
C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(C(=O)NC3CC3)c1)CS2 C1CC1[*:1] C[C@]12CCC(=O)N1[C@@H](CS2)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1sc(C(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1 C1CO[C@@H](C1)[*:1] Cc1sc(cc1S(=O)(=O)N1CCOCC1)C(=O)NC[*:1]
Cc1sc(C(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)N1CCOCC1 C1CO[C@@H](C1)C[*:1] Cc1sc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[*:1]
Cc1csc(CCCCNC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)n1 Cc1csc(n1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCCCC[*:1]
Cc1csc(CCCCNC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)n1 Cc1csc(C[*:1])n1 C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCCC[*:1]
COCc1ccccc1C(=O)Nc1cccc(N2CCOC2=O)c1C O=C1OCCN1[*:1] COCc1ccccc1C(=O)Nc1cccc(c1C)[*:1]
COCc1ccccc1C(=O)Nc1cccc(N2CCOC2=O)c1C COC[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)c1ccccc1[*:1]
CN(C)c1ccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 CN(C)c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCN(CC1)c1ccc(F)cc1)NNC(=O)[*:1]
CN(C)c1ccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] CN(C)c1ccc(cc1)C(=O)NNC(=O)CCC(=O)N1CCN(CC1)[*:1]
CN(C)c1ccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 CN(C)[*:1] O=C(CCC(=O)N1CCN(CC1)c1ccc(F)cc1)NNC(=O)c1ccc(cc1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S[C@H]2NN=C(c3ccoc3C)N2c2ccccc2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)S[C@H]2NN=C(c3ccoc3C)N2c2ccccc2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S[C@H]2NN=C(c3ccoc3C)N2c2ccccc2)c1C CC(=O)c1c(C)[nH]c(c1C)[*:1] Cc1occc1C1=NN[C@H](S[C@H](C)C(=O)[*:1])N1c1ccccc1
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S[C@H]2NN=C(c3ccoc3C)N2c2ccccc2)c1C Cc1occc1[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S[C@H]2NN=C(N2c2ccccc2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S[C@H]2NN=C(c3ccoc3C)N2c2ccccc2)c1C c1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S[C@H]2NN=C(c3ccoc3C)N2[*:1])c1C
COc1ncc(C2(O)CC[NH+](Cc3ccc(C)o3)CC2)c(OC)n1 Cc1ccc(o1)[*:1] COc1ncc(c(n1)OC)C1(O)CC[NH+](CC1)C[*:1]
COc1ncc(C2(O)CC[NH+](Cc3ccc(C)o3)CC2)c(OC)n1 Cc1ccc(C[*:1])o1 COc1ncc(c(n1)OC)C1(O)CC[NH+](CC1)[*:1]
COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C COc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)Nc2cc(C)cc(C)c2)c1C
COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C COC(=O)[*:1] COc1ccc(cc1)C(=O)Nc1sc(C(=O)Nc2cc(C)cc(C)c2)c(C)c1[*:1]
COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C Cc1cc(C)cc(c1)[*:1] COC(=O)c1c(NC(=O)c2ccc(cc2)OC)sc(C(=O)N[*:1])c1C
C[C@H](NC(=O)c1ccccc1Cl)[C@H]1COc2ccccc2O1 Clc1ccccc1[*:1] C[C@H](NC(=O)[*:1])[C@H]1COc2ccccc2O1
C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 Cn1c(cc2sccc21)[*:1] C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1cccc2[nH]c(C[NH2+][C@@H](C)c3ccc(NC(=O)NC4CC4)cc3)nc12 O=C(NC1CC1)N[*:1] Cc1cccc2[nH]c(C[NH2+][C@@H](C)c3ccc(cc3)[*:1])nc12
Cc1cccc2[nH]c(C[NH2+][C@@H](C)c3ccc(NC(=O)NC4CC4)cc3)nc12 C1CC1[*:1] Cc1cccc2[nH]c(C[NH2+][C@@H](C)c3ccc(cc3)NC(=O)N[*:1])nc12
Cc1c(C[NH+](C(C)C)C2CCC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C[NH+](C(C)C)C1CCC1
Cc1c(C[NH+](C(C)C)C2CCC2)cccc1[N+](=O)[O-] C1CC(C1)[*:1] Cc1c(cccc1[N+](=O)[O-])C[NH+](C(C)C)[*:1]
Cc1c(C[NH+](C(C)C)C2CCC2)cccc1[N+](=O)[O-] CC(C)[*:1] Cc1c(cccc1[N+](=O)[O-])C[NH+](C1CCC1)[*:1]
CNS(=O)(=O)c1ccc(C)c(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)c1 c1ccc(cc1)N[*:1] CNS(=O)(=O)c1ccc(C)c(c1)NC(=O)N1CC[C@@H](C1)[*:1]
CNS(=O)(=O)c1ccc(C)c(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)c1 c1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(C)c(c1)NC(=O)N1CC[C@H](C1)N[*:1]
CNS(=O)(=O)c1ccc(C)c(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)N1CC[C@H](C1)Nc1ccccc1)[*:1]
O=C([O-])c1cc(Sc2nccn3cnnc23)ccn1 O=C([O-])[*:1] c1cc(cc(n1)[*:1])Sc1nccn2cnnc12
O=C(CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1)Nc1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] O=C(CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2o1)N[*:1]
O=C(CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2o1)Nc1ccccc1[*:1]
O=C(CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1)Nc1ccccc1C(F)(F)F Clc1ccc2oc(cc2c1)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1ccccc1C(F)(F)F
COCc1cc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)ncn1 Clc1ccc(cc1)C[*:1] COCc1cc(ncn1)NC(=O)C(=O)NC[*:1]
COCc1cc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)ncn1 COC[*:1] O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1cc(ncn1)[*:1]
COCc1cc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)ncn1 Clc1ccc(cc1)[*:1] COCc1cc(ncn1)NC(=O)C(=O)NCC[*:1]
NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 NC(=O)[*:1] O=S(=O)([N-]c1ccccc1[*:1])c1ccc(Cl)nc1
CC(=O)N(C)C1CCN(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)CC1 Fc1ccccc1[*:1] CC(=O)N(C)C1CCN(CC1)C(=O)N[C@@H](C1CCCC1)[*:1]
CC(=O)N(C)C1CCN(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)CC1 C1CCC(C1)[*:1] CC(=O)N(C)C1CCN(CC1)C(=O)N[C@@H](c1ccccc1F)[*:1]
CC(=O)N(C)C1CCN(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)CC1 CC(=O)N(C)[*:1] O=C(N[C@@H](c1ccccc1F)C1CCCC1)N1CCC(CC1)[*:1]
Cc1nn(C2CCC2)c2cc(F)ccc12 C1CC(C1)[*:1] Cc1nn(c2cc(F)ccc12)[*:1]
O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 Oc1ccc(cc1)[*:1] O=C([C@@H]1COc2ccccc2C1)N1CCC(CC1)C(=O)[*:1]
O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 O=C(c1ccc(O)cc1)[*:1] O=C([C@@H]1COc2ccccc2C1)N1CCC(CC1)[*:1]
CCC(CC)C(=O)NCc1nc2ccccc2n1[C@@H](C)C(C)=O CC(=O)[C@H](C)[*:1] CCC(CC)C(=O)NCc1nc2ccccc2n1[*:1]
CCC(CC)C(=O)NCc1nc2ccccc2n1[C@@H](C)C(C)=O CCC(CC)[*:1] CC(=O)[C@H](C)n1c(CNC(=O)[*:1])nc2ccccc21
CCC(CC)C(=O)NCc1nc2ccccc2n1[C@@H](C)C(C)=O CC(=O)[*:1] CCC(CC)C(=O)NCc1nc2ccccc2n1[C@@H](C)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)N[C@@H](CO)c1ccc(Cl)cc1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N[C@@H](CO)[*:1]
CCCCNC(=O)NC[C@H]1CN(CC(C)C)CCO1 CCCC[*:1] CC(C)CN1CCO[C@@H](CNC(=O)N[*:1])C1
CCCCNC(=O)NC[C@H]1CN(CC(C)C)CCO1 CCC[*:1] CC(C)CN1CCO[C@@H](CNC(=O)NC[*:1])C1
CCCCNC(=O)NC[C@H]1CN(CC(C)C)CCO1 CC(C)[*:1] CCCCNC(=O)NC[C@H]1CN(CCO1)C[*:1]
CCCCNC(=O)NC[C@H]1CN(CC(C)C)CCO1 CC(C)C[*:1] CCCCNC(=O)NC[C@H]1CN(CCO1)[*:1]
Cc1c(Br)cc(C(=O)O[C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(Br)cc(cc1[*:1])C(=O)O[C@@H](C)[C@@H]1CCCO1
Cc1c(Br)cc(C(=O)O[C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] C1CO[C@@H](C1)[*:1] Cc1c(Br)cc(cc1[N+](=O)[O-])C(=O)O[C@@H](C)[*:1]
CC(C)(C)NC(=O)N1CCN(C(=O)Cc2cn3c(nc2=O)SCC3)CC1 CC(C)(C)[*:1] O=C(Cc1cn2CCSc2nc1=O)N1CCN(CC1)C(=O)N[*:1]
CC(=O)N1CCN(Cc2cc(NC[C@H](O)c3ccsc3)cc[nH+]2)CC1 O[C@H](c1ccsc1)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)NC[*:1]
CC(=O)N1CCN(Cc2cc(NC[C@H](O)c3ccsc3)cc[nH+]2)CC1 c1cc(cs1)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)NC[C@H](O)[*:1]
CC(=O)N1CCN(Cc2cc(NC[C@H](O)c3ccsc3)cc[nH+]2)CC1 O[C@@H](C[*:1])c1ccsc1 CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2cc(C)ccc21 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)N1CCc2cc(C)ccc21
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2cc(C)ccc21 CC(=O)N[*:1] Cc1ccc2c(c1)CCN2C(=O)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CCCCc1nc(C)c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)s1 CS(=O)(=O)N[*:1] CCCCc1nc(C)c(s1)C(=O)Nc1cccc(c1)[*:1]
CCCCc1nc(C)c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)s1 CCCC[*:1] Cc1nc(sc1C(=O)Nc1cccc(c1)NS(C)(=O)=O)[*:1]
CCCCc1nc(C)c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)s1 CCC[*:1] Cc1nc(C[*:1])sc1C(=O)Nc1cccc(c1)NS(C)(=O)=O
O=C(c1ccc(Cl)cc1F)N1CCN(Cn2nc3ccccn3c2=O)CC1 Fc1cc(Cl)ccc1[*:1] O=C(N1CCN(CC1)Cn1nc2ccccn2c1=O)[*:1]
CCCN[C@]1(C#N)CCC[C@@H](OCC)C1 CCC[*:1] CCO[C@@H]1CCC[C@](C#N)(C1)N[*:1]
CCCN[C@]1(C#N)CCC[C@@H](OCC)C1 CCCN[*:1] CCO[C@@H]1CCC[C@@](C#N)(C1)[*:1]
CCCN[C@]1(C#N)CCC[C@@H](OCC)C1 CCO[*:1] CCCN[C@]1(C#N)CCC[C@@H](C1)[*:1]
O=c1[nH]c(-c2cccnc2)nc2c1C[NH+](Cc1ccc(Sc3ncn[nH]3)o1)CC2 c1n[nH]c(n1)[*:1] O=c1[nH]c(nc2CC[NH+](Cc3ccc(o3)S[*:1])Cc21)-c1cccnc1
O=c1[nH]c(-c2cccnc2)nc2c1C[NH+](Cc1ccc(Sc3ncn[nH]3)o1)CC2 c1n[nH]c(n1)S[*:1] O=c1[nH]c(nc2CC[NH+](Cc3ccc(o3)[*:1])Cc21)-c1cccnc1
O=c1[nH]c(-c2cccnc2)nc2c1C[NH+](Cc1ccc(Sc3ncn[nH]3)o1)CC2 c1cncc(c1)[*:1] O=c1[nH]c(nc2CC[NH+](Cc3ccc(o3)Sc3ncn[nH]3)Cc21)[*:1]
O=C(NCc1cccnc1)C1CC[NH+](Cc2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(NCc1cccnc1)C1CC[NH+](CC1)C[*:1]
O=C(NCc1cccnc1)C1CC[NH+](Cc2ccccc2Cl)CC1 c1cncc(c1)[*:1] O=C(NC[*:1])C1CC[NH+](CC1)Cc1ccccc1Cl
O=C(NCc1cccnc1)C1CC[NH+](Cc2ccccc2Cl)CC1 c1cncc(c1)C[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1ccccc1Cl
O=C(NCc1cccnc1)C1CC[NH+](Cc2ccccc2Cl)CC1 Clc1ccccc1C[*:1] O=C(NCc1cccnc1)C1CC[NH+](CC1)[*:1]
CC(C)CC[C@](C)(O)CNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O CC(C)CC[*:1] Cn1cc(cn1)N1CC[C@H](NC(=O)NC[C@](C)(O)[*:1])C1=O
CC(C)CC[C@](C)(O)CNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O CC(C)C[*:1] Cn1cc(cn1)N1CC[C@H](NC(=O)NC[C@@](C)(O)C[*:1])C1=O
CC(C)CC[C@](C)(O)CNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O CC(C)[*:1] Cn1cc(cn1)N1CC[C@H](NC(=O)NC[C@@](C)(O)CC[*:1])C1=O
CC(C)CC[C@](C)(O)CNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O CC(C)CC[C@](C)(O)[*:1] Cn1cc(cn1)N1CC[C@H](NC(=O)NC[*:1])C1=O
CC(C)CC[C@](C)(O)CNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O Cn1cc(cn1)[*:1] CC(C)CC[C@](C)(O)CNC(=O)N[C@H]1CCN(C1=O)[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)N(C)CCOc1ccccc1 c1ccc(cc1)O[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N(C)CC[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)N(C)CCOc1ccccc1 c1ccc(cc1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N(C)CCO[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)N(C)CCOc1ccccc1 c1ccc(cc1)OC[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N(C)C[*:1]
Cc1ccc(C(C)C)c2c1[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)CCO2 CC(C)[*:1] Cc1ccc(c2OCC[C@@H]([NH2+]C[C@H]3CCCS3(=O)=O)c12)[*:1]
CCOC(=O)[C@@H](O)c1c(-c2ccc(Cl)cc2)nc2ccc(F)cn12 CCOC(=O)[*:1] O[C@@H](c1c(nc2ccc(F)cn12)-c1ccc(Cl)cc1)[*:1]
CCOC(=O)[C@@H](O)c1c(-c2ccc(Cl)cc2)nc2ccc(F)cn12 Clc1ccc(cc1)[*:1] CCOC(=O)[C@@H](O)c1c(nc2ccc(F)cn12)[*:1]
O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccccc1Br O=C1CCC[C@H]1[*:1] O=C(c1ccccc1Br)N1CCC[C@@H]1[*:1]
O=C(/C=C/c1ccccc1)N[C@H](c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] O=C(C=C[*:1])N[C@H](c1ccccc1)C(F)(F)F
O=C(/C=C/c1ccccc1)N[C@H](c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1)N[C@H](C(F)(F)F)[*:1]
O=C(/C=C/c1ccccc1)N[C@H](c1ccccc1)C(F)(F)F FC(F)(F)[*:1] O=C(/C=C/c1ccccc1)N[C@H](c1ccccc1)[*:1]
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2cnco2)cc1 c1ncc(o1)[*:1] O=C(Nc1ccc(Cl)cc1Cl)c1ccc(cc1)[*:1]
C[S@](=O)c1ccc(C(=O)Nc2cccc(I)c2)cc1 C[S@](=O)[*:1] O=C(Nc1cccc(I)c1)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl Fc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)C1CCN(CC1)C(=O)[*:1]
COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1
CC(C)CN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CC1 CC(C)C[*:1] O=C(C1C=CC2=NS(=O)(=O)CCN2C=1)N(C1CC1)[*:1]
CC(C)CN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CC1 CC(C)[*:1] O=C(C1C=CC2=NS(=O)(=O)CCN2C=1)N(C[*:1])C1CC1
CC(C)CN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)C1C=CC2=NS(=O)(=O)CCN2C=1)[*:1]
COc1cc(C)c(-c2csc(NC(=O)c3c(C(C)C)noc3C)n2)cc1C Cc1onc(c1[*:1])C(C)C COc1cc(C)c(cc1C)-c1csc(n1)NC(=O)[*:1]
COc1cc(C)c(-c2csc(NC(=O)c3c(C(C)C)noc3C)n2)cc1C CC(C)[*:1] COc1cc(C)c(cc1C)-c1csc(n1)NC(=O)c1c(noc1C)[*:1]
CCCN(C/C(N)=N/O)C(=O)N1CCC[C@H](C)C1 N/C(=N\O)[*:1] CCCN(C[*:1])C(=O)N1CCC[C@H](C)C1
CCCN(C/C(N)=N/O)C(=O)N1CCC[C@H](C)C1 N/C(C[*:1])=N\O CCCN(C(=O)N1CCC[C@H](C)C1)[*:1]
CCCN(C/C(N)=N/O)C(=O)N1CCC[C@H](C)C1 CCC[*:1] C[C@H]1CCCN(C1)C(=O)N(C/C(N)=N/O)[*:1]
Cc1nc(C(=O)N2CCC(Oc3ccc(C[NH+]4CCN(c5ccccc5F)CC4)cc3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(N1CCC(CC1)Oc1ccc(cc1)C[NH+]1CCN(CC1)c1ccccc1F)[*:1]
Cc1nc(C(=O)N2CCC(Oc3ccc(C[NH+]4CCN(c5ccccc5F)CC4)cc3)CC2)cs1 Fc1ccccc1[*:1] Cc1nc(cs1)C(=O)N1CCC(CC1)Oc1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
COc1ccc(CC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(CC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 COc1ccc(cc1)C[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(CC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 NC(=O)[*:1] COc1ccc(cc1)CC(=O)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
COc1ccc(CC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N1CCN(CC1)[C@@H](C(N)=O)[*:1]
COc1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc1Cl c1csc(c1)[*:1] COc1ccc(cc1Cl)NC(=O)Cc1sc(C)nc1[*:1]
O[C@H](CCCCl)Cc1nc2ccccc2s1 ClCCC[*:1] O[C@H](Cc1nc2ccccc2s1)[*:1]
O[C@H](CCCCl)Cc1nc2ccccc2s1 ClCC[*:1] O[C@@H](Cc1nc2ccccc2s1)C[*:1]
C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[*:1]
CC(C)C(=O)N1CCN(C(=O)N[C@@H]2CCSc3ccccc32)CC1 CC(C)[*:1] O=C(N[C@@H]1CCSc2ccccc21)N1CCN(CC1)C(=O)[*:1]
Nc1cc(OCC(F)(F)F)ccc1S(N)(=O)=O FC(F)(F)C[*:1] Nc1cc(ccc1S(N)(=O)=O)O[*:1]
Nc1cc(OCC(F)(F)F)ccc1S(N)(=O)=O FC(F)(F)[*:1] Nc1cc(ccc1S(N)(=O)=O)OC[*:1]
Nc1cc(OCC(F)(F)F)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Nc1cc(ccc1[*:1])OCC(F)(F)F
CN(C)[C@@H](CNCc1csc(Br)c1)c1ccc(F)cc1 CN(C)[*:1] Fc1ccc(cc1)[C@H](CNCc1csc(Br)c1)[*:1]
CN(C)[C@@H](CNCc1csc(Br)c1)c1ccc(F)cc1 Brc1cc(cs1)[*:1] CN(C)[C@@H](CNC[*:1])c1ccc(F)cc1
[NH3+][C@@H](CSC[C@@H](O)CO)c1ccc2c(c1)OCCCO2 OC[C@H](O)[*:1] [NH3+][C@@H](CSC[*:1])c1ccc2OCCCOc2c1
[NH3+][C@@H](CSC[C@@H](O)CO)c1ccc2c(c1)OCCCO2 OC[C@H](O)CS[*:1] [NH3+][C@@H](C[*:1])c1ccc2OCCCOc2c1
[NH3+][C@@H](CSC[C@@H](O)CO)c1ccc2c(c1)OCCCO2 OC[C@H](O)C[*:1] [NH3+][C@@H](CS[*:1])c1ccc2OCCCOc2c1
CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C CC(=O)[*:1] C[C@H]1C[C@H]2[C@H]3CC[C@](O)([C@@]3(C)C[C@@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12)[*:1]
O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(N2CCCC2)nn1 C1CCN(C1)[*:1] O=C(Nc1cccc(c1)-c1ccc2nncn2n1)c1ccc(nn1)[*:1]
O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(N2CCCC2)nn1 c1cc2nncn2nc1[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(nn1)N1CCCC1
N#Cc1ccc(OC2CCC(NC(=O)c3ccnc(C4CC4)n3)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(NC1CCC(CC1)O[*:1])c1ccnc(n1)C1CC1
N#Cc1ccc(OC2CCC(NC(=O)c3ccnc(C4CC4)n3)CC2)nc1 c1cc(nc(n1)C1CC1)[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)[*:1]
N#Cc1ccc(OC2CCC(NC(=O)c3ccnc(C4CC4)n3)CC2)nc1 C1CC1[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)c1ccnc(n1)[*:1]
N#Cc1ccc(OC2CCC(NC(=O)c3ccnc(C4CC4)n3)CC2)nc1 N#Cc1ccc(nc1)O[*:1] O=C(NC1CCC(CC1)[*:1])c1ccnc(n1)C1CC1
Cc1cc(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)no1 Cc1cc(C[*:1])no1 N#Cc1ccc(cc1C(F)(F)F)NC(=O)[*:1]
Cc1cc(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)no1 FC(F)(F)[*:1] Cc1cc(CC(=O)Nc2ccc(C#N)c(c2)[*:1])no1
Cc1cc(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)no1 Cc1cc(no1)[*:1] N#Cc1ccc(cc1C(F)(F)F)NC(=O)C[*:1]
CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 CC(C)[*:1] C[C@@H](N(C1CC1)S(=O)(=O)c1cccc(c1)S(C)(=O)=O)[*:1]
CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 C1CC1[*:1] CC(C)[C@@H](C)N(S(=O)(=O)c1cccc(c1)S(C)(=O)=O)[*:1]
CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1cccc(c1)[*:1]
CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1ccnc2ccccc12 CCN(CC)C(=O)[*:1] O=C(c1ccnc2ccccc12)N1CSC[C@H]1[*:1]
C[C@H](C(N)=O)N1CCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 C[C@H](C(N)=O)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)N1CCN(CC1)[*:1]
C[C@H](C(N)=O)N1CCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 NC(=O)[*:1] C[C@H](N1CCN(CC1)C(=O)[C@@]1(C)CC1(Cl)Cl)[*:1]
C[C@H](C(N)=O)N1CCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 C[C@]1(CC1(Cl)Cl)[*:1] C[C@H](C(N)=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(Cl)c(NC(=O)c2ccccc2S(C)(=O)=O)c1 CS(=O)(=O)[*:1] COc1ccc(Cl)c(c1)NC(=O)c1ccccc1[*:1]
CC(C)CCN1CC(=O)N2C[C@@H](c3ccccc3Cl)C3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O CC(C)CC[*:1] C[C@]12C(=O)N(CC(=O)N1C[C@H](C1=c3ccccc3=[NH+][C@H]12)c1ccccc1Cl)[*:1]
CC(C)CCN1CC(=O)N2C[C@@H](c3ccccc3Cl)C3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O CC(C)[*:1] C[C@]12C(=O)N(CC[*:1])CC(=O)N1C[C@H](C1=c3ccccc3=[NH+][C@H]12)c1ccccc1Cl
CC(C)CCN1CC(=O)N2C[C@@H](c3ccccc3Cl)C3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O Clc1ccccc1[*:1] CC(C)CCN1CC(=O)N2C[C@@H](C3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O)[*:1]
CC(C)CCN1CC(=O)N2C[C@@H](c3ccccc3Cl)C3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O CC(C)C[*:1] C[C@]12C(=O)N(CC(=O)N1C[C@H](C1=c3ccccc3=[NH+][C@H]12)c1ccccc1Cl)C[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)(C)C)nn1C COC(=O)[*:1] Cn1nc(cc1C(=O)N[C@H]1CCCCC[C@@H]1[*:1])C(C)(C)C
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)(C)C)nn1C CC(C)(C)[*:1] COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cc(nn1C)[*:1]
CC(C)[NH2+]Cc1cncc(N2Cc3ccccc3C2)n1 CC(C)[*:1] c1ccc2CN(Cc2c1)c1cncc(C[NH2+][*:1])n1
Cc1ccc(NC(=O)ON=C2CCCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)ON=C1CCCCC1
O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1OCc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1OC[*:1]
O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1O[*:1]
O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1[*:1]
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C(=O)NC1CCCCC1 CC1CCN(CC1)C(=O)[*:1] Cc1cc(ccc1NC(=O)C(=O)NC1CCCCC1)[*:1]
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(ccc1NC(=O)C(=O)N[*:1])C(=O)N1CCC(C)CC1
Cc1ccc(NC(=O)[C@H](Sc2ccc(C)cn2)c2ccccc2)cc1 Cc1ccc(nc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H](S[*:1])c1ccccc1
Cc1ccc(NC(=O)[C@H](Sc2ccc(C)cn2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H](Sc1ccc(C)cn1)[*:1]
Cc1ccc(NC(=O)[C@H](Sc2ccc(C)cn2)c2ccccc2)cc1 Cc1ccc(nc1)S[*:1] Cc1ccc(cc1)NC(=O)[C@H](c1ccccc1)[*:1]
Cc1ccc(NC(=O)[C@H](Sc2ccc(C)cn2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(nc1)S[C@@H](C(=O)N[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1C(=O)N(C)[*:1])S(=O)(=O)NC(C)(C)C
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(C)Cc1ccc(Cl)cc1 CC(C)(C)NS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N(C)Cc1ccc(Cl)cc1)[*:1]
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N(C)C[*:1])S(=O)(=O)NC(C)(C)C
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N(C)Cc1ccc(Cl)cc1 CC(C)(C)[*:1] Cc1ccc(cc1C(=O)N(C)Cc1ccc(Cl)cc1)S(=O)(=O)N[*:1]
O=C(CN[C@H]1CCc2cc(Cl)ccc21)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN[C@H]1CCc2cc(Cl)ccc21)N[*:1]
CC(=O)Nc1cccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)c1 CC(=O)N[*:1] O=C(COc1cccc2c1CCC[C@@H]2O)Nc1cccc(c1)[*:1]
O=C(COC(=O)C1=NCC(Cl)=C1)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(COC(=O)C1C=C(Cl)CN=1)Nc1ccccc1[*:1]
Cn1ncc2c(=O)n(Cc3cnoc3-c3ccc(Cl)cc3)nnc21 Clc1ccc(cc1)[*:1] Cn1ncc2c(=O)n(Cc3cnoc3[*:1])nnc21
CCn1/c(=N/C(=O)Cn2cccn2)[nH]c2ccc(Br)cc21 c1cnn(c1)[*:1] CCn1/c(=N/C(=O)C[*:1])[nH]c2ccc(Br)cc21
CCn1/c(=N/C(=O)Cn2cccn2)[nH]c2ccc(Br)cc21 c1cnn(c1)C[*:1] CCn1/c(=N/C(=O)[*:1])[nH]c2ccc(Br)cc21
COc1ccc(-c2nc(SCC(=O)Nc3cccc4ccccc34)sc2N)cc1 COc1ccc(cc1)[*:1] Nc1sc(nc1[*:1])SCC(=O)Nc1cccc2ccccc12
CCOc1ccccc1NC(=O)CSCCO OCC[*:1] CCOc1ccccc1NC(=O)CS[*:1]
CCOc1ccccc1NC(=O)CSCCO OCCSC[*:1] CCOc1ccccc1NC(=O)[*:1]
CCOc1ccccc1NC(=O)CSCCO OCCS[*:1] CCOc1ccccc1NC(=O)C[*:1]
CCOc1ccccc1NC(=O)CSCCO CCO[*:1] O=C(CSCCO)Nc1ccccc1[*:1]
COc1ccc(CC(=O)NCCOc2cccc(C)c2)cc1F Cc1cccc(c1)[*:1] COc1ccc(cc1F)CC(=O)NCCO[*:1]
C[C@](O)(CNCc1cnc(-c2cccnc2)s1)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@](O)(CNCc1cnc(s1)-c1cccnc1)[*:1]
C[C@](O)(CNCc1cnc(-c2cccnc2)s1)CN1CCOCC1 c1cncc(c1)[*:1] C[C@](O)(CNCc1cnc(s1)[*:1])CN1CCOCC1
C[C@](O)(CNCc1cnc(-c2cccnc2)s1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@](O)(CNCc1cnc(s1)-c1cccnc1)C[*:1]
COc1ccccc1OCCNC(=O)N[C@@H]1CCSc2ccccc21 COc1ccccc1[*:1] O=C(NCCO[*:1])N[C@@H]1CCSc2ccccc21
CC(C)[C@H]([NH3+])CNC(=O)c1cc(C(F)(F)F)ccc1F CC(C)[*:1] [NH3+][C@H](CNC(=O)c1cc(ccc1F)C(F)(F)F)[*:1]
CC(C)[C@H]([NH3+])CNC(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CC(C)[C@H]([NH3+])CNC(=O)c1cc(ccc1F)[*:1]
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-] O=C([O-])CCC(=O)OC[*:1] C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)[*:1]
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-] O=C([O-])[*:1] C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CC[*:1]
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-] O=C([O-])CCC(=O)O[*:1] C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)C[*:1]
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-] O=C([O-])C[*:1] C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C[*:1]
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-] O=C([O-])CCC(=O)OCC(=O)[*:1] C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)[*:1]
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-] O=C([O-])CC[*:1] C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)[*:1]
CC(C)COC(=O)Nc1cccc(NC(=O)c2ccc(-c3cnco3)cc2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)NC(=O)c1ccc(cc1)-c1cnco1)OC[*:1]
CC(C)COC(=O)Nc1cccc(NC(=O)c2ccc(-c3cnco3)cc2)c1 CC(C)C[*:1] O=C(Nc1cccc(c1)NC(=O)c1ccc(cc1)-c1cnco1)O[*:1]
CC(C)COC(=O)Nc1cccc(NC(=O)c2ccc(-c3cnco3)cc2)c1 CC(C)COC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)-c1cnco1
CC(C)COC(=O)Nc1cccc(NC(=O)c2ccc(-c3cnco3)cc2)c1 c1ncc(o1)[*:1] CC(C)COC(=O)Nc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
C[C@H](CNC(=O)N(C)[C@H]1CCc2ccccc21)Cc1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)N(C)[C@H]1CCc2ccccc21)C[*:1]
C[C@H](CNC(=O)N(C)[C@H]1CCc2ccccc21)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](CNC(=O)N(C)[C@H]1CCc2ccccc21)[*:1]
O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)NC(=O)NC1CCCC1 Fc1ccccc1[*:1] O=C(CN1CCN(CC1)C(=O)C[*:1])NC(=O)NC1CCCC1
O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)NC(=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(CN1CCN(CC1)C(=O)Cc1ccccc1F)NC(=O)N[*:1]
O=C(CN1CCN(C(=O)Cc2ccccc2F)CC1)NC(=O)NC1CCCC1 Fc1ccccc1C[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])NC(=O)NC1CCCC1
O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(Cn2nc3ccccn3c2=O)c1 O=c1n(nc2ccccn12)[*:1] O=C(CCC(=O)c1ccc2CCCc2c1)Nc1cccc(c1)C[*:1]
O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(Cn2nc3ccccn3c2=O)c1 O=C(c1ccc2CCCc2c1)[*:1] O=C(CC[*:1])Nc1cccc(c1)Cn1nc2ccccn2c1=O
O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(Cn2nc3ccccn3c2=O)c1 c1cc2CCCc2cc1[*:1] O=C(CCC(=O)[*:1])Nc1cccc(c1)Cn1nc2ccccn2c1=O
O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(Cn2nc3ccccn3c2=O)c1 O=c1n(C[*:1])nc2ccccn12 O=C(CCC(=O)c1ccc2CCCc2c1)Nc1cccc(c1)[*:1]
CC(C)N[C@]1(C#N)CC[C@@H](N2CCn3cnnc3C2)C1 CC(C)N[*:1] N#C[C@@]1(CC[C@H](C1)N1CCn2cnnc2C1)[*:1]
CC(C)N[C@]1(C#N)CC[C@@H](N2CCn3cnnc3C2)C1 CC(C)[*:1] N#C[C@]1(CC[C@H](C1)N1CCn2cnnc2C1)N[*:1]
CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)c1N c1coc(c1)[*:1] CCOC(=O)c1cnn(-c2ccc(cc2)C(=O)N2CCN(CC2)C(=O)[*:1])c1N
CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)c1N CCOC(=O)[*:1] Nc1c(cnn1-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccco1)[*:1]
CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cc(C)oc3C)CC2)cs1 CCO[*:1] Cc1cc(C[NH+]2CCN(CC2)Cc2csc(n2)[C@@H](C)[*:1])c(C)o1
CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cc(C)oc3C)CC2)cs1 Cc1cc(C[*:1])c(C)o1 CCO[C@H](C)c1nc(cs1)CN1CC[NH+](CC1)[*:1]
CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cc(C)oc3C)CC2)cs1 Cc1cc(c(C)o1)[*:1] CCO[C@H](C)c1nc(cs1)CN1CC[NH+](CC1)C[*:1]
CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cc(C)oc3C)CC2)cs1 CCO[C@H](C)[*:1] Cc1cc(C[NH+]2CCN(CC2)Cc2csc(n2)[*:1])c(C)o1
CC[N+](C)(CC)CC(=O)OC[C@H]1[C@@H](C)C=C(C)C[C@@H]1C CC[N+](C)(CC)[*:1] CC1=C[C@H](C)[C@H](COC(=O)C[*:1])[C@@H](C)C1
Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 NC(=O)[*:1] Cn1cc(cn1)[C@@H]1C[C@H]1C(=O)NC[C@@H](Cc1ccc(F)cc1)[*:1]
Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 Cn1cc(cn1)[*:1] NC(=O)[C@@H](CNC(=O)[C@@H]1C[C@H]1[*:1])Cc1ccc(F)cc1
Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 Fc1ccc(cc1)[*:1] Cn1cc(cn1)[C@@H]1C[C@H]1C(=O)NC[C@@H](C[*:1])C(N)=O
Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 Fc1ccc(cc1)C[*:1] Cn1cc(cn1)[C@@H]1C[C@H]1C(=O)NC[C@@H](C(N)=O)[*:1]
C[C@@H]1C(=O)N(CC(=O)Nc2ccc(F)cc2F)C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1C(=O)N(CC(=O)Nc2ccc(F)cc2F)C(=O)N1[*:1]
C[C@@H]1C(=O)N(CC(=O)Nc2ccc(F)cc2F)C(=O)N1c1ccc(F)cc1 Fc1ccc(c(F)c1)[*:1] C[C@@H]1C(=O)N(CC(=O)N[*:1])C(=O)N1c1ccc(F)cc1
CC[C@H]1CCCCN1C(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 Fc1ccc(cc1)[*:1] CC[C@H]1CCCCN1C(=O)c1ccc(S[*:1])c(c1)[N+](=O)[O-]
CC[C@H]1CCCCN1C(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H]1CCCCN1C(=O)c1ccc(Sc2ccc(F)cc2)c(c1)[*:1]
CC[C@H]1CCCCN1C(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 Fc1ccc(cc1)S[*:1] CC[C@H]1CCCCN1C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1ccc(S(=O)(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 O=C(C[*:1])N1CCOCC1 Cc1ccc(cc1)S(=O)(=O)N/N=C\c1ccc(cc1)O[*:1]
Cc1ccc(S(=O)(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(/C=N\NS(=O)(=O)[*:1])cc1)N1CCOCC1
Cc1ccc(S(=O)(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N/N=C\c1ccc(cc1)OC[*:1]
O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCC(CC1)C[*:1]
O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCC(CC1)[*:1]
O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCC(CN2CCOCC2)CC1 Clc1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N1CCC(CC1)CN1CCOCC1
O=C(Nc1ccccc1F)c1ccccc1OC(F)F FC(F)[*:1] O=C(Nc1ccccc1F)c1ccccc1O[*:1]
O=C(Nc1ccccc1F)c1ccccc1OC(F)F FC(F)O[*:1] O=C(Nc1ccccc1F)c1ccccc1[*:1]
O=[N+]([O-])c1cccc(OC[C@H]2CSc3ccccc32)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])OC[C@H]1CSc2ccccc21
CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(C(N)=O)cn1C CC(C)[*:1] CC(C)c1cccc(c1NC(=O)c1cc(cn1C)C(N)=O)[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(C(N)=O)cn1C NC(=O)[*:1] CC(C)c1cccc(c1NC(=O)c1cc(cn1C)[*:1])C(C)C
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)c1ccc(Cl)cc1 O=C([O-])[*:1] O=C(N[C@@H](C[*:1])c1ccc(Cl)cc1)OCc1ccccc1
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C([O-])C[C@H](NC(=O)OC[*:1])c1ccc(Cl)cc1
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C([O-])C[C@H](NC(=O)O[*:1])c1ccc(Cl)cc1
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C([O-])C[C@H](NC(=O)OCc1ccccc1)[*:1]
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)c1ccc(Cl)cc1 O=C([O-])C[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])OCc1ccccc1
CC(C)OCCOC(=O)c1cc(N2CCNC2=O)c(F)cc1F O=C1NCCN1[*:1] CC(C)OCCOC(=O)c1cc(c(F)cc1F)[*:1]
CC(C)OCCOC(=O)c1cc(N2CCNC2=O)c(F)cc1F CC(C)OC[*:1] O=C(OC[*:1])c1cc(c(F)cc1F)N1CCNC1=O
CC(C)OCCOC(=O)c1cc(N2CCNC2=O)c(F)cc1F CC(C)[*:1] O=C(OCCO[*:1])c1cc(c(F)cc1F)N1CCNC1=O
CC(C)OCCOC(=O)c1cc(N2CCNC2=O)c(F)cc1F CC(C)OCC[*:1] O=C(O[*:1])c1cc(c(F)cc1F)N1CCNC1=O
CC(C)OCCOC(=O)c1cc(N2CCNC2=O)c(F)cc1F CC(C)O[*:1] O=C(OCC[*:1])c1cc(c(F)cc1F)N1CCNC1=O
CCCCCOC(=O)[C@H]1CC[NH2+][C@@H]1C CCC[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)OCC[*:1]
CCCCCOC(=O)[C@H]1CC[NH2+][C@@H]1C CCCC[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)OC[*:1]
COc1ccc2c(CCNC(=S)Nc3ccccc3C)c[nH]c2c1 Cc1ccccc1[*:1] COc1ccc2c(c[nH]c2c1)CCNC(=S)N[*:1]
C[C@@H]1CCC[C@@H]([C@H](O)C(C)(C)N2CCOCC2)C1 C1CN(CCO1)[*:1] C[C@@H]1CCC[C@H](C1)[C@H](O)C(C)(C)[*:1]
C[C@@H]1CN(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])C[C@H]1C O=C([O-])[*:1] C[C@@H]1CN(C[C@H]1C)C(=O)N[C@@H]1CCCCC[C@H]1[*:1]
Cc1noc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)n1 Cc1noc(n1)[*:1] O=C(COc1ccccc1F)N1CCC[C@@H](C1)[*:1]
Cc1noc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)n1 Fc1ccccc1[*:1] Cc1noc(n1)[C@H]1CCCN(C1)C(=O)CO[*:1]
CN(C)c1nc(N)nc(CN2CC[C@H](c3cccc(F)c3)C2)n1 CN(C)[*:1] Nc1nc(CN2CC[C@@H](C2)c2cccc(F)c2)nc(n1)[*:1]
CN(C)c1nc(N)nc(CN2CC[C@H](c3cccc(F)c3)C2)n1 Fc1cccc(c1)[*:1] CN(C)c1nc(N)nc(CN2CC[C@H](C2)[*:1])n1
COc1cc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc(OC)c1C FC(F)(F)O[*:1] COc1cc(cc(OC)c1C)C(=O)N(C)Cc1ccccc1[*:1]
COc1cc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc(OC)c1C FC(F)(F)[*:1] COc1cc(cc(OC)c1C)C(=O)N(C)Cc1ccccc1O[*:1]
C[NH2+]Cc1noc(C[C@H](C)COC)n1 COC[*:1] C[NH2+]Cc1noc(C[C@H](C)[*:1])n1
CCCNC(=O)c1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1 CCC[*:1] C[C@H](Cc1cccs1)NC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCCNC(=O)c1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1 c1csc(c1)C[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)N[C@H](C)[*:1]
CCCNC(=O)c1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1 CCCNC(=O)[*:1] C[C@H](Cc1cccs1)NC(=O)Nc1ccc(cc1)[*:1]
CCCNC(=O)c1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1 c1csc(c1)[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)N[C@H](C)C[*:1]
COc1cc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 c1ccc(C[*:1])nc1 COc1cc(cc(c1)OC)CN(C1CC(C)(C)[NH2+]C(C)(C)C1)[*:1]
COc1cc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 c1ccc(nc1)[*:1] COc1cc(cc(c1)OC)CN(C[*:1])C1CC(C)(C)[NH2+]C(C)(C)C1
O=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)c2)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2N[C@@H](c2cnn(c2)-c2ccccc2)N1C[*:1]
O=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)c2)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1c2ccccc2N[C@@H](c2cnn(c2)-c2ccccc2)N1[*:1]
O=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)c2)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2N[C@@H](c2cnn(c2)[*:1])N1Cc1ccccc1
O=C(NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3)c1ccccc1O Oc1ccccc1[*:1] O=C1c2ccc3CCc4ccc(C(=O)N1NC(=O)[*:1])c2c34
Cc1cc(=O)c2cc(Br)ccc2n1CC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c2cc(Br)ccc2n1CC(=O)N[*:1]
C[C@H]([NH2+]CCC(=O)NC1CC1)[C@@H]1CCCO1 C1CC1[*:1] C[C@H]([NH2+]CCC(=O)N[*:1])[C@@H]1CCCO1
C[C@H]([NH2+]CCC(=O)NC1CC1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H]([NH2+]CCC(=O)NC1CC1)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)Cc2ccccc2OC)c1 COc1ccccc1[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)C[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)Cc2ccccc2OC)c1 CCN(CC)C(=O)[*:1] COc1ccccc1CC(=O)Nc1cccc(c1)[*:1]
Cn1ncnc1CCNC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C Cn1ncnc1[*:1] CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NCC[*:1]
Cn1ncnc1CCNC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C Cn1ncnc1C[*:1] CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NC[*:1]
Cn1ncnc1CCNC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C CC(C)(C)[*:1] Cn1ncnc1CCNC(=O)N[C@H]1CCCC[C@H]1[*:1]
CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)-c1nn(cc1C(=O)N1CCN(CC1)C(=O)[C@H]1CCCO1)[*:1]
CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(c1cn(nc1[*:1])-c1ccccc1)N1CCN(CC1)C(=O)[C@H]1CCCO1
CCCn1nc(C(=O)Nc2ccc(Br)cc2)ccc1=O CCC[*:1] O=C(Nc1ccc(Br)cc1)c1ccc(=O)n(n1)[*:1]
O=C(NCCNC(=O)c1ccccc1)N[C@H]1c2ccccc2C[C@@H]1O c1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])N[C@H]1c2ccccc2C[C@@H]1O
O=C(c1ccco1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 c1ccc(nc1)[*:1] O=C(c1ccco1)N(C[*:1])c1nc2c(F)cc(F)cc2s1
O=C(c1ccco1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 c1coc(c1)[*:1] O=C(N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1)[*:1]
O=C(c1ccco1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 c1ccc(C[*:1])nc1 O=C(c1ccco1)N(c1nc2c(F)cc(F)cc2s1)[*:1]
Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 Cc1cc(Br)cc(C)c1[*:1] C[C@H](O[*:1])C(=O)Nc1cccc(c1)C(=O)NC[C@H]1CCCO1
Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 O=C(NC[C@H]1CCCO1)[*:1] Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 Cc1cc(Br)cc(C)c1O[*:1] C[C@@H](C(=O)Nc1cccc(c1)C(=O)NC[C@H]1CCCO1)[*:1]
Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1cccc(c1)C(=O)NC[*:1]
CCc1noc(CC)c1CNC(=O)[C@@H](C)Oc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1noc(CC)c1CNC(=O)[C@@H](C)O[*:1]
Cc1cc(C(F)(F)F)c(C#N)c(SCCN2C(=O)CNC2=O)n1 FC(F)(F)[*:1] Cc1cc(c(C#N)c(n1)SCCN1C(=O)CNC1=O)[*:1]
Cc1cc(C(F)(F)F)c(C#N)c(SCCN2C(=O)CNC2=O)n1 O=C1CNC(=O)N1[*:1] Cc1cc(c(C#N)c(n1)SCC[*:1])C(F)(F)F
c1cnc(N2CCN(c3ccc4nnnn4n3)CC2)cn1 c1cnc(cn1)[*:1] c1cc2nnnn2nc1N1CCN(CC1)[*:1]
CCC[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)CCO1 CCC[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](C1)[*:1])c1ccco1
CCC[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)CCO1 c1ccc(cc1)[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@H](C[*:1])NC(=O)c1ccco1
CCC[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)CCO1 c1ccc(cc1)C[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@H](NC(=O)c1ccco1)[*:1]
CCC[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)CCO1 O=C(N[*:1])c1ccco1 CCC[C@H]1CN(CCO1)C(=O)[C@H](Cc1ccccc1)[*:1]
CCC[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)CCO1 c1coc(c1)[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@H](Cc1ccccc1)NC(=O)[*:1]
NC(=O)C[NH+](CCC1CCCCC1)Cc1cnc2ncccn12 C1CCC(CC1)C[*:1] NC(=O)C[NH+](Cc1cnc2ncccn12)C[*:1]
NC(=O)C[NH+](CCC1CCCCC1)Cc1cnc2ncccn12 C1CCC(CC1)[*:1] NC(=O)C[NH+](CC[*:1])Cc1cnc2ncccn12
NC(=O)C[NH+](CCC1CCCCC1)Cc1cnc2ncccn12 NC(=O)C[*:1] c1cnc2ncc(C[NH+](CCC3CCCCC3)[*:1])n2c1
NC(=O)C[NH+](CCC1CCCCC1)Cc1cnc2ncccn12 NC(=O)[*:1] c1cnc2ncc(C[NH+](CCC3CCCCC3)C[*:1])n2c1
CCOCc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)cc1 CCO[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)C[*:1])[C@H]1CCCO1
CCOCc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CCOCc1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
CCOCc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)cc1 CCOC[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])[C@H]1CCCO1
CCOCC(=O)NCc1sccc1CC CCOC[*:1] CCc1ccsc1CNC(=O)[*:1]
CCOCC(=O)NCc1sccc1CC CCO[*:1] CCc1ccsc1CNC(=O)C[*:1]
COC(=O)CSc1cc(OC)ccc1N COC(=O)C[*:1] COc1ccc(N)c(c1)S[*:1]
COC(=O)CSc1cc(OC)ccc1N COC(=O)[*:1] COc1ccc(N)c(c1)SC[*:1]
Cc1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1OC(F)F FC(F)O[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H]1SCCc2sccc21
Cc1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1OC(F)F FC(F)[*:1] Cc1ccc(cc1O[*:1])NC(=O)[C@H]1SCCc2sccc21
COc1ccc2[nH]cc(CC(=O)NC[C@H](C)Sc3ccccc3)c2c1 c1ccc(cc1)S[*:1] COc1ccc2[nH]cc(CC(=O)NC[C@H](C)[*:1])c2c1
COc1ccc2[nH]cc(CC(=O)NC[C@H](C)Sc3ccccc3)c2c1 c1ccc(cc1)[*:1] COc1ccc2[nH]cc(CC(=O)NC[C@H](C)S[*:1])c2c1
CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)CC2)C(=O)N(C)CC c1ccc(cc1)[*:1] CC[C@H](Oc1ccc2CCN(C(=O)[*:1])[C@H](c3ccccc3)c2c1)C(=O)N(C)CC
CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)CC2)C(=O)N(C)CC c1ccc(cc1)[*:1] CC[C@H](Oc1ccc2CCN(C(=O)c3ccccc3)[C@H](c2c1)[*:1])C(=O)N(C)CC
CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)CC2)C(=O)N(C)CC CCN(C)C(=O)[*:1] CC[C@H](Oc1ccc2CCN(C(=O)c3ccccc3)[C@H](c3ccccc3)c2c1)[*:1]
CC(=O)[C@H](c1nc([C@]2(C)CCCO2)no1)C(C)C CC(=O)[*:1] CC(C)[C@@H](c1nc(no1)[C@]1(C)CCCO1)[*:1]
CC(=O)[C@H](c1nc([C@]2(C)CCCO2)no1)C(C)C C[C@@]1(CCCO1)[*:1] CC(=O)[C@H](c1nc(no1)[*:1])C(C)C
CC(=O)[C@H](c1nc([C@]2(C)CCCO2)no1)C(C)C CC(C)[*:1] CC(=O)[C@H](c1nc(no1)[C@]1(C)CCCO1)[*:1]
CC(C)[C@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1cccnc1 CC(C)[*:1] Fc1cccc(c1)N1CCC(CC1)[NH2+][C@H](c1cccnc1)[*:1]
CC(C)[C@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H]([NH2+]C1CCN(CC1)c1cccc(F)c1)[*:1]
CC(C)[C@H]([NH2+]C1CCN(c2cccc(F)c2)CC1)c1cccnc1 Fc1cccc(c1)[*:1] CC(C)[C@H]([NH2+]C1CCN(CC1)[*:1])c1cccnc1
O=C(CC[C@@H]1CCCOC1)NC1(c2ccc(F)cc2F)CCOCC1 Fc1ccc(c(F)c1)[*:1] O=C(CC[C@@H]1CCCOC1)NC1(CCOCC1)[*:1]
O=C(CC[C@@H]1CCCOC1)NC1(c2ccc(F)cc2F)CCOCC1 C1COC[C@@H](C1)[*:1] O=C(CC[*:1])NC1(CCOCC1)c1ccc(F)cc1F
O=C(CC[C@@H]1CCCOC1)NC1(c2ccc(F)cc2F)CCOCC1 C1COC[C@@H](C1)CC[*:1] O=C(NC1(CCOCC1)c1ccc(F)cc1F)[*:1]
O=C(CC[C@@H]1CCCOC1)NC1(c2ccc(F)cc2F)CCOCC1 C1COC[C@@H](C1)C[*:1] O=C(C[*:1])NC1(CCOCC1)c1ccc(F)cc1F
CC1CCN(C(=S)NC(=O)/C=C/c2cccs2)CC1 c1csc(c1)[*:1] CC1CCN(CC1)C(=S)NC(=O)C=C[*:1]
O=C(CC[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)N1CCN(c2cccc[nH+]2)CC1 Fc1ccc(cc1)[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)C[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(CC[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)N1CCN(c2cccc[nH+]2)CC1 Fc1ccc(cc1)C[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(c1c[nH]c2ccccc12)[C@@H](Sc1ncnc2sccc12)c1ccccc1 c1nc(c2ccsc2n1)[*:1] O=C(c1c[nH]c2ccccc12)[C@@H](S[*:1])c1ccccc1
O=C(c1c[nH]c2ccccc12)[C@@H](Sc1ncnc2sccc12)c1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] O=C([C@@H](Sc1ncnc2sccc12)c1ccccc1)[*:1]
O=C(c1c[nH]c2ccccc12)[C@@H](Sc1ncnc2sccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1c[nH]c2ccccc12)[C@@H](Sc1ncnc2sccc12)[*:1]
C[C@@H](CC(=O)NCc1cccnc1-n1cccn1)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] C[C@@H](CC(=O)NCc1cccnc1-n1cccn1)[*:1]
C[C@@H](CC(=O)NCc1cccnc1-n1cccn1)Cc1cccc(F)c1 c1cnn(c1)[*:1] C[C@@H](CC(=O)NCc1cccnc1[*:1])Cc1cccc(F)c1
C[C@@H](CC(=O)NCc1cccnc1-n1cccn1)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](CC(=O)NCc1cccnc1-n1cccn1)C[*:1]
O=C(NCCC[NH+]1CCCCC1)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCCCC1)N1CCO[C@H](C1)[*:1]
O=C(NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)Nc1ccc(F)c(F)c1 O=C(NC[C@H]1CCCO1)[*:1] O=C(NCc1cccc(c1)[*:1])Nc1ccc(F)c(F)c1
O=C(NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(NCc1cccc(c1)C(=O)NC[C@H]1CCCO1)N[*:1]
COc1cc(C)ccc1OCC(=O)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] COc1cc(C)ccc1OCC(=O)N1CCN(CC1)[*:1]
Cc1noc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(CC(C)C)cc1 CC(C)C[*:1] Cc1noc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(CC(C)C)cc1 Cc1noc(C)c1[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1[*:1]
Cc1noc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(CC(C)C)cc1 CC(C)[*:1] Cc1noc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)C[*:1]
COC(=O)c1cnc2nc(-c3cccc(Cl)c3)nn2c1C Clc1cccc(c1)[*:1] COC(=O)c1cnc2nc(nn2c1C)[*:1]
COC(=O)c1cnc2nc(-c3cccc(Cl)c3)nn2c1C COC(=O)[*:1] Cc1c(cnc2nc(nn12)-c1cccc(Cl)c1)[*:1]
CCOc1ccccc1CCNC(=O)N(C)Cc1sccc1C CCO[*:1] Cc1ccsc1CN(C)C(=O)NCCc1ccccc1[*:1]
CCOc1ccccc1CCNC(=O)N(C)Cc1sccc1C Cc1ccsc1C[*:1] CCOc1ccccc1CCNC(=O)N(C)[*:1]
CCOc1ccccc1CCNC(=O)N(C)Cc1sccc1C Cc1ccsc1[*:1] CCOc1ccccc1CCNC(=O)N(C)C[*:1]
O=C(c1c[nH]c2ccccc12)[C@H](NC[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)[*:1] O=C(c1c[nH]c2ccccc12)[C@H](NC[*:1])c1ccccc1
O=C(c1c[nH]c2ccccc12)[C@H](NC[C@@H]1CCCO1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1c[nH]c2ccccc12)[C@H](NC[C@@H]1CCCO1)[*:1]
CCCN[C@@H](c1csc2ccccc12)C(F)(F)C(F)F CCCN[*:1] FC(F)C(F)(F)[C@H](c1csc2ccccc12)[*:1]
CCCN[C@@H](c1csc2ccccc12)C(F)(F)C(F)F CCC[*:1] FC(F)C(F)(F)[C@@H](N[*:1])c1csc2ccccc12
CCCN[C@@H](c1csc2ccccc12)C(F)(F)C(F)F FC(F)C(F)(F)[*:1] CCCN[C@@H](c1csc2ccccc12)[*:1]
CCCN[C@@H](c1csc2ccccc12)C(F)(F)C(F)F FC(F)[*:1] CCCN[C@@H](c1csc2ccccc12)C(F)(F)[*:1]
CSc1ccc(C(=O)Nc2ccc(CC(N)=S)cc2)cc1 NC(=S)[*:1] CSc1ccc(cc1)C(=O)Nc1ccc(cc1)C[*:1]
CSc1ccc(C(=O)Nc2ccc(CC(N)=S)cc2)cc1 NC(=S)C[*:1] CSc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)SCC(=O)Nc1ccccc1F CC(C)(C)[*:1] O=C(CS[*:1])Nc1ccccc1F
CC(C)(C)SCC(=O)Nc1ccccc1F CC(C)(C)S[*:1] O=C(C[*:1])Nc1ccccc1F
N#Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] N#Cc1cn(nc1-c1ccc(cc1)[*:1])-c1ccccc1
N#Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] N#Cc1cn(nc1-c1ccc(cc1)[N+](=O)[O-])[*:1]
COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=C[C@H](OC)[C@]12C COC(=O)[*:1] CO[C@H]1C=C2[C@H](CC[C@H]3C[C@H](O)CC[C@]23C)[C@@H]2CC[C@@H]([C@@H](C)CC[*:1])[C@@]12C
COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=C[C@H](OC)[C@]12C COC(=O)C[*:1] CO[C@H]1C=C2[C@H](CC[C@H]3C[C@H](O)CC[C@]23C)[C@@H]2CC[C@@H]([C@@H](C)C[*:1])[C@@]12C
COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=C[C@H](OC)[C@]12C COC(=O)CC[C@H](C)[*:1] CO[C@H]1C=C2[C@H](CC[C@H]3C[C@H](O)CC[C@]23C)[C@@H]2CC[C@H]([C@@]12C)[*:1]
COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=C[C@H](OC)[C@]12C COC(=O)CC[*:1] CO[C@H]1C=C2[C@H](CC[C@H]3C[C@H](O)CC[C@]23C)[C@@H]2CC[C@@H]([C@@H](C)[*:1])[C@@]12C
N#CC1=C(N)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] N#CC1=C(N)NC2CCCC(=O)C=2[C@@H]1[*:1]
CC(C)Cn1c(/C=N/NC(=O)CNC(=O)c2ccccc2)nc2ccccc21 CC(C)C[*:1] O=C(CNC(=O)c1ccccc1)N/N=C/c1nc2ccccc2n1[*:1]
CC(C)Cn1c(/C=N/NC(=O)CNC(=O)c2ccccc2)nc2ccccc21 O=C(N[*:1])c1ccccc1 CC(C)Cn1c(/C=N/NC(=O)C[*:1])nc2ccccc21
CC(C)Cn1c(/C=N/NC(=O)CNC(=O)c2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CC(C)Cn1c(/C=N/NC(=O)CNC(=O)[*:1])nc2ccccc21
CC(C)Cn1c(/C=N/NC(=O)CNC(=O)c2ccccc2)nc2ccccc21 CC(C)[*:1] O=C(CNC(=O)c1ccccc1)N/N=C/c1nc2ccccc2n1C[*:1]
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O O=C(N1CCOCC1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(Cl)cc1
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O Clc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)N2CCOCC2)C1=O)[*:1]
CSC[C@H](C)N(C)C(=O)N[C@@H]1CCCn2c(C)nnc21 CSC[C@H](C)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N(C)[*:1]
CSC[C@H](C)N(C)C(=O)N[C@@H]1CCCn2c(C)nnc21 CSC[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N(C)[C@@H](C)[*:1]
CC(=O)N1CCC(CCC(=O)Nc2cccc(OC3CCCC3)c2)CC1 C1CCC(C1)O[*:1] CC(=O)N1CCC(CCC(=O)Nc2cccc(c2)[*:1])CC1
CC(=O)N1CCC(CCC(=O)Nc2cccc(OC3CCCC3)c2)CC1 C1CCC(C1)[*:1] CC(=O)N1CCC(CCC(=O)Nc2cccc(c2)O[*:1])CC1
CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ncnc2sc(C)cc12 CN(C)C(=O)[*:1] CCN(Cc1ccc(cc1)[*:1])c1ncnc2sc(C)cc12
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 C1CC(C1)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[C@@H](C1CCC1)[*:1]
COc1ccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(COC(=O)/C=C/c1ccc2OCOc2c1)N[*:1]
COc1ccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)cc1Cl c1cc2OCOc2cc1[*:1] COc1ccc(cc1Cl)NC(=O)COC(=O)C=C[*:1]
COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1OC CN(C)S(=O)(=O)[*:1] COc1ccc(/C=C/C(=O)Nc2cc(ccc2C)[*:1])cc1OC
Cc1c(C[NH+](C)Cc2cccc(OC(C)C)c2)cc(C#N)n1C CC(C)O[*:1] Cc1c(cc(C#N)n1C)C[NH+](C)Cc1cccc(c1)[*:1]
Cc1c(C[NH+](C)Cc2cccc(OC(C)C)c2)cc(C#N)n1C CC(C)[*:1] Cc1c(cc(C#N)n1C)C[NH+](C)Cc1cccc(c1)O[*:1]
CCCn1c(C)nn(CN2CC[C@](F)(C(=O)OC)C2)c1=S COC(=O)[*:1] CCCn1c(C)nn(CN2CC[C@](F)(C2)[*:1])c1=S
CCCn1c(C)nn(CN2CC[C@](F)(C(=O)OC)C2)c1=S CCC[*:1] COC(=O)[C@@]1(F)CCN(Cn2nc(C)n(c2=S)[*:1])C1
CN(Cc1c[nH]nc1-c1c(F)cccc1F)[C@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(Cc1c[nH]nc1-c1c(F)cccc1F)[C@H]1CCCC[C@H]1[*:1]
CN(Cc1c[nH]nc1-c1c(F)cccc1F)[C@H]1CCCC[C@@H]1S(C)(=O)=O Fc1cccc(F)c1[*:1] CN(Cc1c[nH]nc1[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
CCCC[C@H](CC)C(=O)N1CCCC[C@@H]1[C@@H]1CCCC1=O CCCC[*:1] CC[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1CCCC1=O)[*:1]
CCCC[C@H](CC)C(=O)N1CCCC[C@@H]1[C@@H]1CCCC1=O O=C1CCC[C@H]1[*:1] CCCC[C@H](CC)C(=O)N1CCCC[C@H]1[*:1]
CCCC[C@H](CC)C(=O)N1CCCC[C@@H]1[C@@H]1CCCC1=O CCCC[C@H](CC)[*:1] O=C1CCC[C@H]1[C@H]1CCCCN1C(=O)[*:1]
CCCC[C@H](CC)C(=O)N1CCCC[C@@H]1[C@@H]1CCCC1=O CCC[*:1] CC[C@@H](C[*:1])C(=O)N1CCCC[C@@H]1[C@@H]1CCCC1=O
CC(C)COCCC(=O)NC1CCN(S(C)(=O)=O)CC1 CC(C)COC[*:1] CS(=O)(=O)N1CCC(CC1)NC(=O)C[*:1]
CC(C)COCCC(=O)NC1CCN(S(C)(=O)=O)CC1 CC(C)[*:1] CS(=O)(=O)N1CCC(CC1)NC(=O)CCOC[*:1]
CC(C)COCCC(=O)NC1CCN(S(C)(=O)=O)CC1 CC(C)C[*:1] CS(=O)(=O)N1CCC(CC1)NC(=O)CCO[*:1]
CC(C)COCCC(=O)NC1CCN(S(C)(=O)=O)CC1 CC(C)CO[*:1] CS(=O)(=O)N1CCC(CC1)NC(=O)CC[*:1]
CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccccc2Cl)c1N Clc1ccccc1[*:1] CN(Cc1ccccc1)c1ncnc(NNC(=O)[*:1])c1N
CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccccc2Cl)c1N c1ccc(cc1)[*:1] CN(C[*:1])c1ncnc(NNC(=O)c2ccccc2Cl)c1N
CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccccc2Cl)c1N c1ccc(cc1)C[*:1] CN(c1ncnc(NNC(=O)c2ccccc2Cl)c1N)[*:1]
CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccccc2Cl)c1N CN(Cc1ccccc1)[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1ccccc1Cl
Cc1noc(C)c1[C@H](C)NC(=O)CNC(=O)OC(C)(C)C Cc1noc(C)c1[*:1] C[C@H](NC(=O)CNC(=O)OC(C)(C)C)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)CNC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)CNC(=O)O[*:1]
Cc1ccc(-c2csc(=O)n2CC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1c(csc1=O)[*:1])OCc1cc(=O)n2c(n1)sc1ccccc12
C[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)[O-] O=C([O-])[*:1] C[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)[*:1]
C[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)[O-] c1ccc(cc1)[*:1] C[C@H](Oc1cc2oc(=O)cc(c2cc1Cl)[*:1])C(=O)[O-]
CC(C)(C)N(CC(=O)[O-])C(=O)NC[C@H]1CCOC1 CC(C)(C)[*:1] O=C([O-])CN(C(=O)NC[C@H]1CCOC1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)NC[C@H]1CCOC1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)NC[C@H]1CCOC1
CC(C)(C)N(CC(=O)[O-])C(=O)NC[C@H]1CCOC1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)NC[C@H]1CCOC1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)NC[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] CC(C)(C)N(CC(=O)[O-])C(=O)NC[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)NC[C@H]1CCOC1 C1C[C@@H](CO1)C[*:1] CC(C)(C)N(CC(=O)[O-])C(=O)N[*:1]
C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(OC2CCCC2)c1 C1CCC(C1)[*:1] C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(c1)O[*:1]
C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(OC2CCCC2)c1 C1CCC(C1)O[*:1] C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CCOC[C@H]2CCCO2)C1=O C1CO[C@H](C1)COC[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cc2ccccc2o1
C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CCOC[C@H]2CCCO2)C1=O C1CO[C@H](C1)[*:1] C[C@]1(NC(=O)N(CCOC[*:1])C1=O)c1cc2ccccc2o1
C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CCOC[C@H]2CCCO2)C1=O C1CO[C@H](C1)CO[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1cc2ccccc2o1
C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CCOC[C@H]2CCCO2)C1=O C1CO[C@H](C1)C[*:1] C[C@]1(NC(=O)N(CCO[*:1])C1=O)c1cc2ccccc2o1
Cc1cccn2cc(C[S@@](=O)[C@@H](C)c3ccc(C(F)(F)F)cc3)nc12 FC(F)(F)[*:1] Cc1cccn2cc(C[S@@](=O)[C@@H](C)c3ccc(cc3)[*:1])nc12
Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2n[nH]c(=O)[nH]2)cc1 Cc1ccc(cc1)[*:1] CC(C)OC(=O)C[C@@H](NC(=O)c1n[nH]c(=O)[nH]1)[*:1]
Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2n[nH]c(=O)[nH]2)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@@H](CC(=O)O[*:1])NC(=O)c1n[nH]c(=O)[nH]1
Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2n[nH]c(=O)[nH]2)cc1 CC(C)OC(=O)[*:1] Cc1ccc(cc1)[C@@H](C[*:1])NC(=O)c1n[nH]c(=O)[nH]1
Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2n[nH]c(=O)[nH]2)cc1 CC(C)OC(=O)C[*:1] Cc1ccc(cc1)[C@@H](NC(=O)c1n[nH]c(=O)[nH]1)[*:1]
COc1ccc(C[NH2+]CCCc2cn[nH]c2C)cc1O Cc1[nH]ncc1[*:1] COc1ccc(cc1O)C[NH2+]CCC[*:1]
CC(C)CN1C(=O)CC(=O)N[C@@H]1SCC(=O)NC(=O)NC1CCCC1 CC(C)C[*:1] O=C(CS[C@H]1NC(=O)CC(=O)N1[*:1])NC(=O)NC1CCCC1
CC(C)CN1C(=O)CC(=O)N[C@@H]1SCC(=O)NC(=O)NC1CCCC1 C1CCC(C1)[*:1] CC(C)CN1C(=O)CC(=O)N[C@@H]1SCC(=O)NC(=O)N[*:1]
CC(C)CN1C(=O)CC(=O)N[C@@H]1SCC(=O)NC(=O)NC1CCCC1 CC(C)[*:1] O=C(CS[C@H]1NC(=O)CC(=O)N1C[*:1])NC(=O)NC1CCCC1
O=C(Nc1nncs1)c1cc(Cl)ccc1[N+](=O)[O-] c1nnc(s1)[*:1] O=C(N[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
O=C(Nc1nncs1)c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1nncs1)c1cc(Cl)ccc1[*:1]
CCn1cnnc1CNC(=O)[C@H](C)OCc1ccccc1 CCn1cnnc1[*:1] C[C@H](OCc1ccccc1)C(=O)NC[*:1]
CCn1cnnc1CNC(=O)[C@H](C)OCc1ccccc1 c1ccc(cc1)[*:1] CCn1cnnc1CNC(=O)[C@H](C)OC[*:1]
CCn1cnnc1CNC(=O)[C@H](C)OCc1ccccc1 c1ccc(cc1)C[*:1] CCn1cnnc1CNC(=O)[C@H](C)O[*:1]
Cc1ccc(-n2cc(-c3ccc(Br)cc3)[nH]c2=O)cc1Cl Brc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)-n1cc([nH]c1=O)[*:1]
O=C(/C=C/c1nccs1)NCC(=O)Nc1ccc(Br)cc1 C(=C[*:1])c1nccs1 O=C(CNC(=O)[*:1])Nc1ccc(Br)cc1
O=C(/C=C/c1nccs1)NCC(=O)Nc1ccc(Br)cc1 c1csc(n1)[*:1] O=C(C=C[*:1])NCC(=O)Nc1ccc(Br)cc1
O=C(/C=C/c1nccs1)NCC(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(/C=C/c1nccs1)NCC(=O)N[*:1]
C[NH2+][C@@]1(CO)CC[C@@H](Oc2cccc(C(C)C)c2)C1 CC(C)[*:1] C[NH2+][C@@]1(CO)CC[C@H](C1)Oc1cccc(c1)[*:1]
O=C(Nc1cccc(Br)c1)c1cc(-c2cccnc2)nc2ccccc12 Brc1cccc(c1)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1cccnc1
O=C(Nc1cccc(Br)c1)c1cc(-c2cccnc2)nc2ccccc12 c1cncc(c1)[*:1] O=C(Nc1cccc(Br)c1)c1cc(nc2ccccc12)[*:1]
CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccc(Cl)cc2)cn3CC)CC1 Clc1ccc(cc1)[*:1] CCC[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2CC)S(=O)(=O)[*:1]
CCC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccc(Cl)cc2)cn3CC)CC1 O=S(=O)(c1ccc(Cl)cc1)[*:1] CCC[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2CC)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F CN(C)S(=O)(=O)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(ccc1F)[*:1]
CC(C)CO[C@@H]1CCC[C@H](O)C1 CC(C)[*:1] O[C@H]1CCC[C@H](C1)OC[*:1]
CC(C)CO[C@@H]1CCC[C@H](O)C1 CC(C)C[*:1] O[C@H]1CCC[C@H](C1)O[*:1]
O=C(Nc1ccccc1O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 Oc1ccccc1[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1cccc(Br)c1
O=C(Nc1ccccc1O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 Brc1cccc(c1)[*:1] O=C(Nc1ccccc1O)[C@H]1CC(=O)N(C1)[*:1]
CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(c1)[*:1]
CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 CCOC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
C[C@H](OCC(F)(F)F)C(=O)OCc1cc2ccccc2nc1Cl FC(F)(F)C[*:1] C[C@H](O[*:1])C(=O)OCc1cc2ccccc2nc1Cl
C[C@H](OCC(F)(F)F)C(=O)OCc1cc2ccccc2nc1Cl FC(F)(F)[*:1] C[C@H](OC[*:1])C(=O)OCc1cc2ccccc2nc1Cl
C[C@H](OCC(F)(F)F)C(=O)OCc1cc2ccccc2nc1Cl FC(F)(F)CO[*:1] C[C@H](C(=O)OCc1cc2ccccc2nc1Cl)[*:1]
COc1ccc([C@@H]2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(C)nc4c32)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)[C@@H]1c2c(C)nn(c2Oc2ncn3nc(C)nc3c21)[*:1]
COc1ccc([C@@H]2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(C)nc4c32)cc1 COc1ccc(cc1)[*:1] Cc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1cccc(Cl)c1)[C@H]3[*:1]
CCc1cccc(OCC[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1 O=C(N1CCOCC1)[*:1] CCc1cccc(c1)OCC[NH+]1CCC(CC1)[*:1]
CCc1cccc(OCC[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1 CCc1cccc(c1)[*:1] O=C(C1CC[NH+](CCO[*:1])CC1)N1CCOCC1
CCOC(=O)[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOC(=O)[C@H](C)NC(=O)c1ccc(cc1[*:1])C(F)(F)F
CCOC(=O)[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] CCOC(=O)[*:1] C[C@H](NC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
CCOC(=O)[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] CCOC(=O)[C@H](C)NC(=O)c1ccc(cc1[N+](=O)[O-])[*:1]
CCOC(=O)[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] CCOC(=O)[C@H](C)[*:1] O=C(N[*:1])c1ccc(cc1[N+](=O)[O-])C(F)(F)F
CC(C)N(C)S(=O)(=O)N[C@@H]1CC[NH2+]C1 CC(C)[*:1] CN(S(=O)(=O)N[C@@H]1CC[NH2+]C1)[*:1]
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1 COCCC[*:1] N#C/C(=C\c1ccc(cc1)C(=O)[O-])C(=O)N[*:1]
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1 COC[*:1] N#C/C(=C\c1ccc(cc1)C(=O)[O-])C(=O)NCC[*:1]
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] COCCCNC(=O)/C(C#N)=C/c1ccc(cc1)[*:1]
COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1 COCC[*:1] N#C/C(=C\c1ccc(cc1)C(=O)[O-])C(=O)NC[*:1]
C[C@@H](CC(=O)NCCc1nc2ccc(F)cc2[nH]1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](CC(=O)NCCc1nc2ccc(F)cc2[nH]1)[*:1]
CCn1c(C(=O)NCCCc2c(C)noc2C)cc2ccccc21 Cc1noc(C)c1[*:1] CCn1c(cc2ccccc21)C(=O)NCCC[*:1]
CCn1c(C(=O)NCCCc2c(C)noc2C)cc2ccccc21 Cc1noc(C)c1C[*:1] CCn1c(cc2ccccc21)C(=O)NCC[*:1]
CCCCOc1ccc(NC(=O)N/N=C/c2cccnc2)cc1 CCCC[*:1] O=C(N/N=C/c1cccnc1)Nc1ccc(cc1)O[*:1]
CCCCOc1ccc(NC(=O)N/N=C/c2cccnc2)cc1 c1cncc(c1)[*:1] CCCCOc1ccc(cc1)NC(=O)NN=C[*:1]
CCCCOc1ccc(NC(=O)N/N=C/c2cccnc2)cc1 CCC[*:1] O=C(N/N=C/c1cccnc1)Nc1ccc(cc1)OC[*:1]
CCCCOc1ccc(NC(=O)N/N=C/c2cccnc2)cc1 CCCCO[*:1] O=C(N/N=C/c1cccnc1)Nc1ccc(cc1)[*:1]
Cc1ncc([C@H](C)NC[C@@H](O)c2ccncc2)s1 Cc1ncc(s1)[*:1] C[C@H](NC[C@@H](O)c1ccncc1)[*:1]
Cc1ncc([C@H](C)NC[C@@H](O)c2ccncc2)s1 c1cc(ccn1)[*:1] Cc1ncc(s1)[C@H](C)NC[C@@H](O)[*:1]
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(Cc2ccncc2)CC1 c1csc(c1)[*:1] O=C(/C=C/c1cn(Cc2ccccc2)nc1[*:1])N1CCN(CC1)Cc1ccncc1
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(CC1)[*:1]
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(CC1)C[*:1]
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(Cc2ccncc2)CC1 c1ccc(cc1)C[*:1] O=C(/C=C/c1cn(nc1-c1cccs1)[*:1])N1CCN(CC1)Cc1ccncc1
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(Cc2ccncc2)CC1 c1ccc(cc1)[*:1] O=C(/C=C/c1cn(C[*:1])nc1-c1cccs1)N1CCN(CC1)Cc1ccncc1
COc1ccccc1C1(CNS(=O)(=O)N(C)C)CCOCC1 CN(C)S(=O)(=O)N[*:1] COc1ccccc1C1(CCOCC1)C[*:1]
CC[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)C1 CNS(=O)(=O)[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)N[C@@H](C)c1cccc(c1)[*:1]
COc1ccc(/C=C2\SC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC Cc1ccc(C)c(c1)[*:1] COc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1OC
CCOc1ccccc1N1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 CCO[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(CC1)c1ccccc1[*:1]
Cc1cc(F)ccc1CC[NH2+]CC1CC1 C1CC1[*:1] Cc1cc(F)ccc1CC[NH2+]C[*:1]
Cc1cc(F)ccc1CC[NH2+]CC1CC1 C1CC1C[*:1] Cc1cc(F)ccc1CC[NH2+][*:1]
O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N(C[C@H]1CCOC1)C1CC1 C1CC1[*:1] O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N(C[C@H]1CCOC1)[*:1]
O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N(C[C@H]1CCOC1)C1CC1 C1C[C@@H](CO1)C[*:1] O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N(C1CC1)[*:1]
O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N(C[C@H]1CCOC1)C1CC1 C1C[C@@H](CO1)[*:1] O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N(C[*:1])C1CC1
Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(N2CCC[C@@H]2C(=O)[O-])n1 FC(F)(F)[*:1] Cc1nn(C)cc1-c1cc(nc(n1)N1CCC[C@@H]1C(=O)[O-])[*:1]
Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(N2CCC[C@@H]2C(=O)[O-])n1 O=C([O-])[*:1] Cc1nn(C)cc1-c1cc(nc(n1)N1CCC[C@H]1[*:1])C(F)(F)F
Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(N2CCC[C@@H]2C(=O)[O-])n1 Cc1nn(C)cc1[*:1] O=C([O-])[C@H]1CCCN1c1nc(cc(n1)[*:1])C(F)(F)F
Cc1ccoc1C(=O)OCCCn1nnc(-c2ccccc2)n1 Cc1ccoc1[*:1] O=C(OCCCn1nnc(n1)-c1ccccc1)[*:1]
Cc1ccoc1C(=O)OCCCn1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccoc1C(=O)OCCCn1nnc(n1)[*:1]
COc1cccc([C@H](Br)[C@@H](C)c2ccncc2)c1OC c1cc(ccn1)[*:1] COc1cccc(c1OC)[C@H](Br)[C@@H](C)[*:1]
O=C(c1nc2ccccn2c1-c1ccsc1)N1CCCC1 c1cc(cs1)[*:1] O=C(c1nc2ccccn2c1[*:1])N1CCCC1
O=C(c1nc2ccccn2c1-c1ccsc1)N1CCCC1 O=C(N1CCCC1)[*:1] c1ccn2c(-c3ccsc3)c(nc2c1)[*:1]
O=C(CNc1ccc(-c2nnnn2C2CC2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(CNc1ccc(cc1)-c1nnnn1C1CC1)N1N=C(C[C@@H]1[*:1])c1ccc(Cl)cc1
O=C(CNc1ccc(-c2nnnn2C2CC2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 C1CC1[*:1] O=C(CNc1ccc(cc1)-c1nnnn1[*:1])N1N=C(C[C@H]1c1ccco1)c1ccc(Cl)cc1
O=C(CNc1ccc(-c2nnnn2C2CC2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 C1CC1n1nnnc1[*:1] O=C(CNc1ccc(cc1)[*:1])N1N=C(C[C@H]1c1ccco1)c1ccc(Cl)cc1
O=C(CNc1ccc(-c2nnnn2C2CC2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 Clc1ccc(cc1)[*:1] O=C(CNc1ccc(cc1)-c1nnnn1C1CC1)N1N=C(C[C@H]1c1ccco1)[*:1]
O=C(Nc1cccc(CC(F)(F)F)c1)c1cc2c([nH]c1=O)CCCC2 FC(F)(F)C[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2CCCCc2[nH]c1=O
O=C(Nc1cccc(CC(F)(F)F)c1)c1cc2c([nH]c1=O)CCCC2 FC(F)(F)[*:1] O=C(Nc1cccc(c1)C[*:1])c1cc2CCCCc2[nH]c1=O
COc1cccc(C(=O)N2[C@@H](C(=O)[O-])CS[C@@H]2c2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1cccc(c1)C(=O)N1[C@H](CS[C@H]1[*:1])C(=O)[O-]
COc1cccc(C(=O)N2[C@@H](C(=O)[O-])CS[C@@H]2c2ccccc2Cl)c1 COc1cccc(c1)[*:1] O=C([O-])[C@H]1CS[C@H](c2ccccc2Cl)N1C(=O)[*:1]
COc1cccc(C(=O)N2[C@@H](C(=O)[O-])CS[C@@H]2c2ccccc2Cl)c1 O=C([O-])[*:1] COc1cccc(c1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)[*:1]
Cc1ccc(CC(=O)N(Cc2ccco2)c2ccccn2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)CC(=O)N(c1ccccn1)[*:1]
Cc1ccc(CC(=O)N(Cc2ccco2)c2ccccn2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])N(Cc1ccco1)c1ccccn1
Cc1ccc(CC(=O)N(Cc2ccco2)c2ccccn2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CC(=O)N(C[*:1])c1ccccn1
Cc1ccc(CC(=O)N(Cc2ccco2)c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)CC(=O)N(Cc1ccco1)[*:1]
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1 FC(F)(F)[*:1] Cc1cccc(c1)CS(=O)(=O)N1CCC(CC1)C(=O)Nc1cc(ccc1Cl)[*:1]
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1 Cc1cccc(c1)C[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1 Cc1cccc(c1)[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)C1CCN(CC1)S(=O)(=O)C[*:1]
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CS[C@H]2c3ccccc3C(=O)N12 FC(F)(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CS[C@H]2c3ccccc3C(=O)N12
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CS[C@H]2c3ccccc3C(=O)N12 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@H]1CS[C@H]2c3ccccc3C(=O)N12
CC[NH2+][C@H](CSC1CCCC1)[C@H]1CCOC2(CCCC2)C1 C1CCC(C1)SC[*:1] CC[NH2+][C@H]([C@H]1CCOC2(CCCC2)C1)[*:1]
CC[NH2+][C@H](CSC1CCCC1)[C@H]1CCOC2(CCCC2)C1 C1CCC(C1)[*:1] CC[NH2+][C@H](CS[*:1])[C@H]1CCOC2(CCCC2)C1
CC[NH2+][C@H](CSC1CCCC1)[C@H]1CCOC2(CCCC2)C1 C1CCC(C1)S[*:1] CC[NH2+][C@H](C[*:1])[C@H]1CCOC2(CCCC2)C1
c1cncc(CNc2cc(-c3nccc4occc34)c3cc[nH]c3n2)c1 c1cncc(c1)CN[*:1] c1cc2occc2c(n1)-c1cc(nc2[nH]ccc12)[*:1]
c1cncc(CNc2cc(-c3nccc4occc34)c3cc[nH]c3n2)c1 c1cncc(c1)C[*:1] c1cc2occc2c(n1)-c1cc(nc2[nH]ccc12)N[*:1]
c1cncc(CNc2cc(-c3nccc4occc34)c3cc[nH]c3n2)c1 c1cncc(c1)[*:1] c1cc2occc2c(n1)-c1cc(nc2[nH]ccc12)NC[*:1]
CCn1ncc2c(C(=O)N3C[C@@H](CO)OC[C@@H]3C)cc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)N1C[C@@H](CO)OC[C@@H]1C
CCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCO2 CCCC(=O)N[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)Nc1ccc2OCCOc2c1
CCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCO2 CCC[*:1] O=C(Cn1c(CNC(=O)[*:1])nc2ccccc21)Nc1ccc2OCCOc2c1
CCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] CCCC(=O)NCc1nc2ccccc2n1CC(=O)N[*:1]
CCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCO2 CCCC(=O)NC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])Nc1ccc2OCCOc2c1
Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)[O-])c1)C2=O O=C([O-])[*:1] Cc1nc2ccccc2c2C(=O)N(C(=O)c12)c1cccc(c1)[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1cc(-c2ccco2)ccc1F CNC(=O)[*:1] C[C@@H](NC(=O)Nc1cc(ccc1F)-c1ccco1)[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1cc(-c2ccco2)ccc1F c1coc(c1)[*:1] CNC(=O)[C@@H](C)NC(=O)Nc1cc(ccc1F)[*:1]
CNC(=O)[C@@H](C)NC(=O)Nc1cc(-c2ccco2)ccc1F CNC(=O)[C@@H](C)[*:1] O=C(Nc1cc(ccc1F)-c1ccco1)N[*:1]
CCCSc1nc2n(n1)[C@H](c1ccc(OC(C)C)cc1)C(C(N)=O)=C(C)N2 NC(=O)[*:1] CCCSc1nc2NC(C)=C([C@@H](c3ccc(cc3)OC(C)C)n2n1)[*:1]
CCCSc1nc2n(n1)[C@H](c1ccc(OC(C)C)cc1)C(C(N)=O)=C(C)N2 CCC[*:1] CC1Nc2nc(nn2[C@@H](C=1C(N)=O)c1ccc(cc1)OC(C)C)S[*:1]
CCCSc1nc2n(n1)[C@H](c1ccc(OC(C)C)cc1)C(C(N)=O)=C(C)N2 CCCS[*:1] CC1Nc2nc(nn2[C@@H](C=1C(N)=O)c1ccc(cc1)OC(C)C)[*:1]
CCCSc1nc2n(n1)[C@H](c1ccc(OC(C)C)cc1)C(C(N)=O)=C(C)N2 CC(C)O[*:1] CCCSc1nc2NC(C)=C(C(N)=O)[C@@H](c3ccc(cc3)[*:1])n2n1
CCCSc1nc2n(n1)[C@H](c1ccc(OC(C)C)cc1)C(C(N)=O)=C(C)N2 CC(C)[*:1] CCCSc1nc2NC(C)=C(C(N)=O)[C@@H](c3ccc(cc3)O[*:1])n2n1
CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]([NH3+])CCO CC(C)(C)[*:1] [NH3+][C@@H](CCO)[C@@H]1CCCCN1C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]([NH3+])CCO OCC[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]([NH3+])[*:1]
C[C@H]1CN(C(=O)Nc2cccc(C(N)=O)c2)C[C@H](C)O1 NC(=O)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1cccc(c1)[*:1]
O=C(NCC1(C2CC2)CC1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(NCC1(CC1)C1CC1)N1CCC(CC1)O[*:1]
O=C(NCC1(C2CC2)CC1)N1CCC(OCc2ccc(F)cc2)CC1 C1CC1C1(CC1)C[*:1] O=C(N[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(NCC1(C2CC2)CC1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCC1(CC1)C1CC1)N1CCC(CC1)OC[*:1]
O=C(NCC1(C2CC2)CC1)N1CCC(OCc2ccc(F)cc2)CC1 C1CC1C1(CC1)[*:1] O=C(NC[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(NCC1(C2CC2)CC1)N1CCC(OCc2ccc(F)cc2)CC1 C1CC1[*:1] O=C(NCC1(CC1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
Cc1noc(CCCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 N#Cc1ccc(nc1)[*:1] Cc1noc(CCCC(=O)NC2CCC(CC2)O[*:1])n1
Cc1noc(CCCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 Cc1noc(CC[*:1])n1 N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)C[*:1]
Cc1noc(CCCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 Cc1noc(n1)[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)CCC[*:1]
Cc1noc(CCCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 Cc1noc(C[*:1])n1 N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)CC[*:1]
Cc1noc(CCCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 N#Cc1ccc(nc1)O[*:1] Cc1noc(CCCC(=O)NC2CCC(CC2)[*:1])n1
Cc1noc(CCCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 Cc1noc(CCC[*:1])n1 N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)[*:1]
CCc1ccccc1NC(=O)N1CCC(n2c(CC(C)C)nc3cccnc32)CC1 CC(C)[*:1] CCc1ccccc1NC(=O)N1CCC(CC1)n1c(C[*:1])nc2cccnc21
CCc1ccccc1NC(=O)N1CCC(n2c(CC(C)C)nc3cccnc32)CC1 CCc1ccccc1[*:1] CC(C)Cc1nc2cccnc2n1C1CCN(CC1)C(=O)N[*:1]
CCc1ccccc1NC(=O)N1CCC(n2c(CC(C)C)nc3cccnc32)CC1 CC(C)C[*:1] CCc1ccccc1NC(=O)N1CCC(CC1)n1c(nc2cccnc21)[*:1]
Cc1ccc(NC(=O)NC[C@H]2CN(C3CC3)CCO2)s1 Cc1ccc(s1)[*:1] O=C(NC[C@H]1CN(CCO1)C1CC1)N[*:1]
Cc1ccc(NC(=O)NC[C@H]2CN(C3CC3)CCO2)s1 C1CC1[*:1] Cc1ccc(NC(=O)NC[C@H]2CN(CCO2)[*:1])s1
Cc1cc(C)n2c(CN3CCN(CC4CCCC4)C(=O)C3)cnc2n1 C1CCC(C1)C[*:1] Cc1cc(C)n2c(cnc2n1)CN1CCN(C(=O)C1)[*:1]
Cc1cc(C)n2c(CN3CCN(CC4CCCC4)C(=O)C3)cnc2n1 C1CCC(C1)[*:1] Cc1cc(C)n2c(cnc2n1)CN1CCN(C[*:1])C(=O)C1
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCCSCC1 Clc1ccc(cc1)[*:1] O=C(N[C@H](C1CC1)[*:1])N1CCCSCC1
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCCSCC1 C1CC1[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])N1CCCSCC1
COC(=O)C1(NC(=O)Cc2c(C)nc3ccccc3c2C)CCCC1 COC(=O)[*:1] Cc1nc2ccccc2c(C)c1CC(=O)NC1(CCCC1)[*:1]
Cc1noc(COC(=O)c2cnn(-c3cccc(Cl)c3)c2)n1 Clc1cccc(c1)[*:1] Cc1noc(COC(=O)c2cnn(c2)[*:1])n1
Cc1noc(COC(=O)c2cnn(-c3cccc(Cl)c3)c2)n1 Cc1noc(n1)[*:1] O=C(OC[*:1])c1cnn(c1)-c1cccc(Cl)c1
Cc1noc(COC(=O)c2cnn(-c3cccc(Cl)c3)c2)n1 Cc1noc(C[*:1])n1 O=C(O[*:1])c1cnn(c1)-c1cccc(Cl)c1
CCOC(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CCOC(=O)N[C@H]1C=C[C@H](C1)[*:1]
C[C@H]([NH2+]C/C=C/c1ccc(C#N)cc1)c1cccc(-n2cncn2)c1 N#Cc1ccc(cc1)[*:1] C[C@H]([NH2+]CC=C[*:1])c1cccc(c1)-n1cncn1
C[C@H]([NH2+]C/C=C/c1ccc(C#N)cc1)c1cccc(-n2cncn2)c1 c1ncn(n1)[*:1] C[C@H]([NH2+]C/C=C/c1ccc(C#N)cc1)c1cccc(c1)[*:1]
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NCc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NCc1ccc(cc1)[*:1]
COc1ccc(C2(C(=O)OCC(=O)NC3CC3)CCCC2)cc1 O=C(C[*:1])NC1CC1 COc1ccc(cc1)C1(CCCC1)C(=O)O[*:1]
COc1ccc(C2(C(=O)OCC(=O)NC3CC3)CCCC2)cc1 O=C(NC1CC1)[*:1] COc1ccc(cc1)C1(CCCC1)C(=O)OC[*:1]
COc1ccc(C2(C(=O)OCC(=O)NC3CC3)CCCC2)cc1 C1CC1[*:1] COc1ccc(cc1)C1(CCCC1)C(=O)OCC(=O)N[*:1]
COc1ccc2c(c1)nc(CN1CCN(c3cc(C)ccc3C)CC1)n2C Cc1ccc(C)c(c1)[*:1] COc1ccc2c(c1)nc(CN1CCN(CC1)[*:1])n2C
CN(C[C@@H](O)C1CC1)C(=O)Nc1nc(-c2ccccc2)ns1 c1ccc(cc1)[*:1] CN(C[C@@H](O)C1CC1)C(=O)Nc1nc(ns1)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)Nc1nc(-c2ccccc2)ns1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)Nc1nc(ns1)-c1ccccc1
O=C(COC(=O)c1cc(Cl)c[nH]1)Nc1ccccc1N1CCCC1=O Clc1c[nH]c(c1)[*:1] O=C(COC(=O)[*:1])Nc1ccccc1N1CCCC1=O
O=C(COC(=O)c1cc(Cl)c[nH]1)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(COC(=O)c1cc(Cl)c[nH]1)Nc1ccccc1[*:1]
O=C([O-])Cc1cccnc1Cl O=C([O-])[*:1] Clc1ncccc1C[*:1]
COc1ccc([C@H](NC(=O)c2ccccc2F)c2ccc(OC)c(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H](NC(=O)c1ccccc1F)[*:1]
COc1ccc([C@H](NC(=O)c2ccccc2F)c2ccc(OC)c(OC)c2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)[C@H](NC(=O)[*:1])c1ccc(OC)c(c1)OC
CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(N)=O CC(C)[*:1] NC(=O)[C@H](Nc1ccc(cn1)[N+](=O)[O-])[*:1]
CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(N)=O O=[N+]([O-])[*:1] CC(C)[C@@H](Nc1ccc(cn1)[*:1])C(N)=O
CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(N)=O NC(=O)[*:1] CC(C)[C@@H](Nc1ccc(cn1)[N+](=O)[O-])[*:1]
Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)CN1CCc2nnc(CCNC(=O)C[*:1])n2CC1
Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)CN1CCc2nnc(CCNC(=O)[*:1])n2CC1
Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)NCCc1nnc2CCN(CCn12)C[*:1]
Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(Cc1ccc(F)cc1)NCCc1nnc2CCN(CCn12)[*:1]
CC(C)(C)c1n[nH]cc1CN(CCc1ccccc1)[C@@H]1CCOC1 c1ccc(cc1)[*:1] CC(C)(C)c1n[nH]cc1CN(CC[*:1])[C@@H]1CCOC1
CC(C)(C)c1n[nH]cc1CN(CCc1ccccc1)[C@@H]1CCOC1 c1ccc(cc1)CC[*:1] CC(C)(C)c1n[nH]cc1CN([C@@H]1CCOC1)[*:1]
CC(C)(C)c1n[nH]cc1CN(CCc1ccccc1)[C@@H]1CCOC1 c1ccc(cc1)C[*:1] CC(C)(C)c1n[nH]cc1CN(C[*:1])[C@@H]1CCOC1
CC(C)(C)c1n[nH]cc1CN(CCc1ccccc1)[C@@H]1CCOC1 CC(C)(C)[*:1] c1ccc(cc1)CCN(Cc1c[nH]nc1[*:1])[C@@H]1CCOC1
CCC(CC)C(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1 CCC(CC)C(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCc2ccccc2C1
CCC(CC)C(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1 CCC(CC)[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCc2ccccc2C1
NOC(=O)/C=C/c1c[nH]c2ccccc12 NOC(=O)[*:1] C(=C[*:1])c1c[nH]c2ccccc12
C/C(=C/c1ccc(OC(F)F)c(F)c1)c1nc2sccc2c(=O)[nH]1 FC(F)[*:1] C/C(=C/c1ccc(O[*:1])c(F)c1)c1nc2sccc2c(=O)[nH]1
C/C(=C/c1ccc(OC(F)F)c(F)c1)c1nc2sccc2c(=O)[nH]1 FC(F)O[*:1] C/C(=C/c1ccc(c(F)c1)[*:1])c1nc2sccc2c(=O)[nH]1
CC[C@@H](NC(=O)N(C)Cc1ccc(C(=O)NC)cc1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H](NC(=O)N(C)Cc1ccc(cc1)C(=O)NC)[*:1]
CC[C@@H](NC(=O)N(C)Cc1ccc(C(=O)NC)cc1)c1ccc(OC)cc1 CNC(=O)[*:1] CC[C@@H](NC(=O)N(C)Cc1ccc(cc1)[*:1])c1ccc(cc1)OC
Cc1cc(C)cc(N(C)C(=O)c2csc(C#CCO)c2)c1 OCC#C[*:1] Cc1cc(C)cc(c1)N(C)C(=O)c1csc(c1)[*:1]
Cc1ccc(/C=C/C(=O)O[C@H](C)[C@@H]2CCOC2)o1 C1C[C@H](CO1)[*:1] Cc1ccc(/C=C/C(=O)O[C@H](C)[*:1])o1
Cc1ccc(/C=C/C(=O)O[C@H](C)[C@@H]2CCOC2)o1 Cc1ccc(o1)[*:1] C[C@@H](OC(=O)C=C[*:1])[C@@H]1CCOC1
CC(C)[C@]1(Cc2ccnc3ccccc23)CCC[NH2+]1 CC(C)[*:1] c1ccc2c(ccnc2c1)C[C@@]1(CCC[NH2+]1)[*:1]
O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1c(O)cccc1F FC(F)(F)[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])Nc1c(O)cccc1F
O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1c(O)cccc1F Oc1cccc(F)c1[*:1] O=C(CNC(=O)c1ccc(cc1)C(F)(F)F)N[*:1]
Cc1cncc(/C=C/C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1cncc(/C=C/C(=O)NCCc2cccc(c2)[*:1])c1
Cc1cncc(/C=C/C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 Cc1cncc(c1)[*:1] O=C(C=C[*:1])NCCc1cccc(c1)[N+](=O)[O-]
O=C1CCCCCN1CC(=O)N1CCC[C@H](OCc2ccccn2)C1 c1ccc(nc1)[*:1] O=C1CCCCCN1CC(=O)N1CCC[C@@H](C1)OC[*:1]
O=C1CCCCCN1CC(=O)N1CCC[C@H](OCc2ccccn2)C1 O=C1CCCCCN1[*:1] O=C(C[*:1])N1CCC[C@@H](C1)OCc1ccccn1
O=C1CCCCCN1CC(=O)N1CCC[C@H](OCc2ccccn2)C1 c1ccc(C[*:1])nc1 O=C1CCCCCN1CC(=O)N1CCC[C@@H](C1)O[*:1]
O=C1CCCCCN1CC(=O)N1CCC[C@H](OCc2ccccn2)C1 c1ccc(CO[*:1])nc1 O=C1CCCCCN1CC(=O)N1CCC[C@H](C1)[*:1]
CC1(C)CC([C@@H]2CCC[C@H](S(C)(=O)=O)C2)=C[C@H]([NH3+])C1 CS(=O)(=O)[*:1] CC1(C)CC(=C[C@H]([NH3+])C1)[C@@H]1CCC[C@H](C1)[*:1]
COCCn1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O COCC[*:1] C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(c1)[*:1]
COCCn1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O COC[*:1] C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(c1)C[*:1]
CCC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C O=C(Nc1ccccc1F)[*:1] CCC(C)(C)N1C(=O)[C@H]2[C@@H]([C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C)[*:1]
CCC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] CCC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@H]3C=C[C@@]2(O3)[C@@H]1[*:1]
CCC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C CC(C)(C)[*:1] CCC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[*:1]
CCC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C Fc1ccccc1[*:1] CCC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)N[*:1])[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C
CCC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC(C)(C)C CCC(C)(C)[*:1] CC(C)(C)NC(=O)[C@H]1N(C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3F)[C@H]3C=C[C@]21O3)[*:1]
Cc1ccc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)NN=C[*:1]
Cc1ccc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1 Cc1ccc(/C=N/N[*:1])cc1 Cc1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
Cc1ccc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2[*:1])cc1
Cc1ccc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C[*:1])cc1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])NNC(=O)[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Cl)cc1Cl O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NNC(=O)c1ccc(Cl)cc1Cl
CC(C)c1ccc(N2C[C@H](C(=O)NCCN3CCOC3=O)CC2=O)cc1 O=C1OCCN1[*:1] CC(C)c1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCC[*:1]
CC(C)c1ccc(N2C[C@H](C(=O)NCCN3CCOC3=O)CC2=O)cc1 O=C1OCCN1C[*:1] CC(C)c1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
CC(C)c1ccc(N2C[C@H](C(=O)NCCN3CCOC3=O)CC2=O)cc1 O=C1OCCN1CC[*:1] CC(C)c1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CC(C)c1ccc(N2C[C@H](C(=O)NCCN3CCOC3=O)CC2=O)cc1 CC(C)[*:1] O=C(NCCN1CCOC1=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
COc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C)cc2)c(OC)c1 c1coc(c1)[*:1] COc1ccc(CN(C[*:1])C(=O)Nc2ccc(C)cc2)c(c1)OC
COc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C)cc2)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(CN(Cc2ccco2)C(=O)N[*:1])c(c1)OC
COc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C)cc2)c(OC)c1 c1coc(c1)C[*:1] COc1ccc(CN(C(=O)Nc2ccc(C)cc2)[*:1])c(c1)OC
CC(C)(C)c1nsc(NC(=O)NCCNC(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)(C)c1nsc(n1)NC(=O)NCCNC(=O)[*:1]
CC(C)(C)c1nsc(NC(=O)NCCNC(=O)c2ccccc2)n1 CC(C)(C)[*:1] O=C(NCCNC(=O)c1ccccc1)Nc1nc(ns1)[*:1]
C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)[O-] O=C([O-])C=C[*:1] C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1C=C[*:1]
C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)[O-] CC=C(C)[*:1] CC1=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@H](/C=C/C=C/C(=O)[O-])[C@@H]1[*:1]
C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)[O-] O=C([O-])[*:1] C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C/C=C[*:1]
C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)[O-] O=C([O-])/C=C/C=C[*:1] C/C=C(\C)[C@@H]1C(C)=C[C@H]2[C@@H](O)CC[C@H](C)[C@H]2[C@H]1[*:1]
COc1ccc(/C=C2\N=C(c3ccccc3)NC2=O)cc1OC c1ccc(cc1)[*:1] COc1ccc(/C=C2\N=C(NC2=O)[*:1])cc1OC
C[NH+](C)C(C)(C)CNCc1csc(-c2cccs2)n1 c1csc(c1)[*:1] C[NH+](C)C(C)(C)CNCc1csc(n1)[*:1]
Cc1nc2n(C)c3ccccc3n2c1C(=O)c1cccs1 c1csc(c1)[*:1] Cc1nc2n(C)c3ccccc3n2c1C(=O)[*:1]
Cc1nc2n(C)c3ccccc3n2c1C(=O)c1cccs1 O=C(c1cccs1)[*:1] Cc1nc2n(C)c3ccccc3n2c1[*:1]
N#Cc1cccc(CN2CCN(C(=O)c3cccs3)CC2)c1 c1csc(c1)[*:1] N#Cc1cccc(c1)CN1CCN(CC1)C(=O)[*:1]
CSc1ccc2nc(N3CCN(C(=O)Cc4ccc(C)cc4C)CC3)sc2c1 Cc1ccc(c(C)c1)[*:1] CSc1ccc2nc(sc2c1)N1CCN(CC1)C(=O)C[*:1]
CSc1ccc2nc(N3CCN(C(=O)Cc4ccc(C)cc4C)CC3)sc2c1 Cc1ccc(C[*:1])c(C)c1 CSc1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)ccc1F Cc1cc(ccc1F)[*:1] O=C(C1CC1)N1CCc2ccc(cc21)NS(=O)(=O)[*:1]
Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)ccc1F C1CC1[*:1] Cc1cc(ccc1F)S(=O)(=O)Nc1ccc2CCN(C(=O)[*:1])c2c1
O=C(NCc1ccc(Cl)cc1)NCC1(c2ccc(F)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1)NC[*:1]
O=C(NCc1ccc(Cl)cc1)NCC1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)NCC1(CC1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3nc(C)cs3)CC2=O)c(C)c1 Cc1csc(n1)[*:1] Cc1ccc(c(C)c1)N1C[C@H](CC1=O)C(=O)N[*:1]
CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OCCOC COCCO[*:1] CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[*:1]
CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OCCOC COCC[*:1] CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1O[*:1]
CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OCCOC COC[*:1] CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OC[*:1]
COc1ccc(SCC(=O)Nc2cc(C(=O)N(C)C)ccc2F)cc1 COc1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)CS[*:1]
COc1ccc(SCC(=O)Nc2cc(C(=O)N(C)C)ccc2F)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)SCC(=O)Nc1cc(ccc1F)[*:1]
O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)Nc1ccc(Cl)c(Cl)c1 c1cc2OCOc2cc1[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1ccc(Cl)c(Cl)c1
O=C(Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(Cn1nc(ccc1=O)-c1ccc2OCOc2c1)N[*:1]
CCN(CC1CC1)C(=O)Nc1ccccc1OC(C)C C1CC1[*:1] CCN(C[*:1])C(=O)Nc1ccccc1OC(C)C
CCN(CC1CC1)C(=O)Nc1ccccc1OC(C)C CC(C)[*:1] CCN(CC1CC1)C(=O)Nc1ccccc1O[*:1]
CCN(CC1CC1)C(=O)Nc1ccccc1OC(C)C CC(C)O[*:1] CCN(CC1CC1)C(=O)Nc1ccccc1[*:1]
CCN(CC1CC1)C(=O)Nc1ccccc1OC(C)C C1CC1C[*:1] CCN(C(=O)Nc1ccccc1OC(C)C)[*:1]
COc1cccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)N1C(=O)N(c2ccccc2S1(=O)=O)[*:1]
COc1cccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1C(=O)N(C[*:1])c2ccccc2S1(=O)=O
COc1cccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)c1 COc1cccc(c1)[*:1] O=C1N(Cc2ccccc2)c2ccccc2S(=O)(=O)N1[*:1]
Cc1cscc1C(=O)N[C@H](CO)Cc1ccccc1 Cc1cscc1[*:1] O=C(N[C@H](CO)Cc1ccccc1)[*:1]
Cc1cscc1C(=O)N[C@H](CO)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cscc1C(=O)N[C@H](CO)C[*:1]
Cc1ccc(CNC(=O)c2nc[nH]c2C(=O)NC2CCCCC2)o1 Cc1ccc(C[*:1])o1 O=C(N[*:1])c1nc[nH]c1C(=O)NC1CCCCC1
Cc1ccc(CNC(=O)c2nc[nH]c2C(=O)NC2CCCCC2)o1 C1CCC(CC1)[*:1] Cc1ccc(CNC(=O)c2nc[nH]c2C(=O)N[*:1])o1
Cc1ccc(CNC(=O)c2nc[nH]c2C(=O)NC2CCCCC2)o1 Cc1ccc(o1)[*:1] O=C(NC[*:1])c1nc[nH]c1C(=O)NC1CCCCC1
CC(C)Oc1cccc(C(=O)O[C@@H](C)[C@@H]2CCCO2)n1 C1CO[C@@H](C1)[*:1] CC(C)Oc1cccc(n1)C(=O)O[C@@H](C)[*:1]
CC(C)Oc1cccc(C(=O)O[C@@H](C)[C@@H]2CCCO2)n1 CC(C)[*:1] C[C@H](OC(=O)c1cccc(n1)O[*:1])[C@@H]1CCCO1
CC(C)Oc1cccc(C(=O)O[C@@H](C)[C@@H]2CCCO2)n1 CC(C)O[*:1] C[C@H](OC(=O)c1cccc(n1)[*:1])[C@@H]1CCCO1
CCOc1ccc(-c2nc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2C)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)-c1nc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])sc1C
CCOc1ccc(-c2nc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2C)cc1 CCOc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)C1CCN(CC1)S(=O)(=O)c1cccs1
CCOc1ccc(-c2nc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2C)cc1 CCO[*:1] Cc1sc(nc1-c1ccc(cc1)[*:1])NC(=O)C1CCN(CC1)S(=O)(=O)c1cccs1
O=C(NCC1(c2ccccc2)CCC1)c1n[nH]c(=O)c2ccccc12 c1ccc(cc1)[*:1] O=C(NCC1(CCC1)[*:1])c1n[nH]c(=O)c2ccccc12
COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc3nsnc3c1)C2 COCC[*:1] O=C1[C@H]2CC[C@H](CN(Cc3ccc4nsnc4c3)C2)N1[*:1]
COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc3nsnc3c1)C2 COC[*:1] O=C1[C@H]2CC[C@H](CN(Cc3ccc4nsnc4c3)C2)N1C[*:1]
O=C(Nc1ccccn1)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] O=C(Nc1ccccn1)c1ccc(cc1F)[*:1]
O=C(Nc1ccccn1)c1ccc([N+](=O)[O-])cc1F c1ccc(nc1)[*:1] O=C(N[*:1])c1ccc(cc1F)[N+](=O)[O-]
COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5cccc(Cl)c5)no4)ccc3c2=O)cc1 COc1ccc(cc1)[*:1] O=c1[nH]c2cc(ccc2c(=O)n1C[*:1])-c1nc(no1)-c1cccc(Cl)c1
COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5cccc(Cl)c5)no4)ccc3c2=O)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)Cn1c(=O)[nH]c2cc(ccc2c1=O)-c1nc(no1)[*:1]
COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5cccc(Cl)c5)no4)ccc3c2=O)cc1 COc1ccc(cc1)C[*:1] O=c1[nH]c2cc(ccc2c(=O)n1[*:1])-c1nc(no1)-c1cccc(Cl)c1
CCOc1ccccc1N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1 CCOc1ccccc1[*:1] CC(=O)c1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
CCOc1ccccc1N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1 CC(=O)c1ccc(cc1)[*:1] CCOc1ccccc1N1CCN(CC1)C(=O)N[*:1]
CCOc1ccccc1N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1 CCO[*:1] CC(=O)c1ccc(cc1)NC(=O)N1CCN(CC1)c1ccccc1[*:1]
CCOc1ccccc1N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1 CC(=O)[*:1] CCOc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N[C@H]2CCc3ccccc32)n1 Clc1cnn(c1)[*:1] C[C@@H](C[*:1])c1cc(=O)[nH]c(n1)N[C@H]1CCc2ccccc21
C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N[C@H]2CCc3ccccc32)n1 Clc1cnn(c1)C[*:1] C[C@@H](c1cc(=O)[nH]c(n1)N[C@H]1CCc2ccccc21)[*:1]
CSCC[C@@H](NC(=O)N[C@H]1CCCC1(C)C)c1nnc2ccccn12 CSCC[*:1] CC1(C)CCC[C@@H]1NC(=O)N[C@@H](c1nnc2ccccn12)[*:1]
CSCC[C@@H](NC(=O)N[C@H]1CCCC1(C)C)c1nnc2ccccn12 CSC[*:1] CC1(C)CCC[C@@H]1NC(=O)N[C@H](C[*:1])c1nnc2ccccn12
CSCC[C@@H](NC(=O)N[C@H]1CCCC1(C)C)c1nnc2ccccn12 CC1(C)CCC[C@@H]1[*:1] CSCC[C@@H](NC(=O)N[*:1])c1nnc2ccccn12
COc1ccc(CC[NH2+]Cc2nc(C(C)(C)C)cs2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)CC[NH2+]Cc1nc(cs1)[*:1]
CS(=O)(=O)c1ccc(N[C@H]2c3ccccc3C[C@H]2O)c([N+](=O)[O-])c1 CS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1N[C@H]1c2ccccc2C[C@H]1O)[*:1]
CS(=O)(=O)c1ccc(N[C@H]2c3ccccc3C[C@H]2O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc(N[C@H]2c3ccccc3C[C@H]2O)c(c1)[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1F O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1O)[*:1])c1cccc(Cl)c1F
Cc1cc(NCCN2CCCC2=O)nc(C2CC[NH2+]CC2)n1 O=C1CCCN1[*:1] Cc1cc(nc(n1)C1CC[NH2+]CC1)NCC[*:1]
Cc1cc(NCCN2CCCC2=O)nc(C2CC[NH2+]CC2)n1 O=C1CCCN1C[*:1] Cc1cc(nc(n1)C1CC[NH2+]CC1)NC[*:1]
Cc1nc2ncnn2c([O-])c1CCC(=O)Nc1ccccc1F Fc1ccccc1[*:1] Cc1nc2ncnn2c([O-])c1CCC(=O)N[*:1]
Cc1ccccc1OCCNc1ccccc1OC(C)C CC(C)[*:1] Cc1ccccc1OCCNc1ccccc1O[*:1]
Cc1ccccc1OCCNc1ccccc1OC(C)C CC(C)O[*:1] Cc1ccccc1OCCNc1ccccc1[*:1]
Cc1ccccc1OCCNc1ccccc1OC(C)C Cc1ccccc1[*:1] CC(C)Oc1ccccc1NCCO[*:1]
CCN[C@H](c1cncc2ccccc12)C(C)(C)[NH+](C)C CCN[*:1] C[NH+](C)C(C)(C)[C@@H](c1cncc2ccccc12)[*:1]
Cc1cc(F)cc(N[C@@H](CO)C(C)C)c1 CC(C)[*:1] Cc1cc(F)cc(c1)N[C@@H](CO)[*:1]
Cn1c(-c2ccccc2)cnc1NCc1cccc(O)c1 Oc1cccc(c1)[*:1] Cn1c(cnc1NC[*:1])-c1ccccc1
Cn1c(-c2ccccc2)cnc1NCc1cccc(O)c1 c1ccc(cc1)[*:1] Cn1c(cnc1NCc1cccc(O)c1)[*:1]
O=C(CCC(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCC2 C1CO[C@H](C1)C[*:1] O=C(CCC(=O)N1CCN(CC1)[*:1])c1ccc2CCCc2c1
O=C(CCC(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] O=C(CCC(=O)[*:1])N1CCN(CC1)C[C@H]1CCCO1
Cc1ccccc1-c1nc2ccccc2n1C[C@H]1CCCO1 Cc1ccccc1[*:1] c1ccc2c(c1)nc(n2C[C@H]1CCCO1)[*:1]
Cc1ccccc1-c1nc2ccccc2n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1ccccc1-c1nc2ccccc2n1[*:1]
O=C(CSc1nc2ccccc2o1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(CSc1nc2ccccc2o1)N[*:1]
O=C(CSc1nc2ccccc2o1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(CSc1nc2ccccc2o1)NC[*:1]
CC[C@H](C)c1cc(C(=O)NCc2cc(F)cc(OC)c2)on1 CC[C@H](C)[*:1] COc1cc(F)cc(c1)CNC(=O)c1cc(no1)[*:1]
COCc1nc(C)cc(NC[C@H]2CCC[C@@H](O)C2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])NC[C@H]1CCC[C@@H](O)C1
CCC(CC)[C@@H](O)CNc1ncnc2sc(C)cc12 CCC(CC)[*:1] Cc1cc2c(ncnc2s1)NC[C@H](O)[*:1]
O=C(N/N=C\c1sc(N2CCCCC2)nc1-c1cccs1)C1CC1 C1CCN(CC1)[*:1] O=C(N/N=C\c1sc(nc1-c1cccs1)[*:1])C1CC1
O=C(N/N=C\c1sc(N2CCCCC2)nc1-c1cccs1)C1CC1 O=C(NN=C[*:1])C1CC1 c1csc(c1)-c1nc(sc1[*:1])N1CCCCC1
O=C(N/N=C\c1sc(N2CCCCC2)nc1-c1cccs1)C1CC1 C1CC1[*:1] O=C(N/N=C\c1sc(nc1-c1cccs1)N1CCCCC1)[*:1]
O=C(N/N=C\c1sc(N2CCCCC2)nc1-c1cccs1)C1CC1 c1csc(c1)[*:1] O=C(N/N=C\c1sc(nc1[*:1])N1CCCCC1)C1CC1
Cc1ccc(NCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])NCC(=O)N1CC[C@@H](C)Sc2ccccc21
CCc1cc(N2CCC([NH2+]Cc3ccc([S@@](C)=O)cc3)CC2)ncn1 CCc1cc(ncn1)[*:1] C[S@@](=O)c1ccc(cc1)C[NH2+]C1CCN(CC1)[*:1]
O=C(NCc1cccc(F)c1)N1CCC[C@H]1c1cccc2c1OCCO2 Fc1cccc(c1)[*:1] O=C(NC[*:1])N1CCC[C@H]1c1cccc2OCCOc21
O=C(NCc1cccc(F)c1)N1CCC[C@H]1c1cccc2c1OCCO2 Fc1cccc(c1)C[*:1] O=C(N[*:1])N1CCC[C@H]1c1cccc2OCCOc21
CN(Cc1nccs1)C(=O)c1cn(-c2ccccc2Cl)nn1 Clc1ccccc1[*:1] CN(Cc1nccs1)C(=O)c1cn(nn1)[*:1]
CN(Cc1nccs1)C(=O)c1cn(-c2ccccc2Cl)nn1 c1csc(n1)[*:1] CN(C[*:1])C(=O)c1cn(nn1)-c1ccccc1Cl
CN(Cc1nccs1)C(=O)c1cn(-c2ccccc2Cl)nn1 c1csc(C[*:1])n1 CN(C(=O)c1cn(nn1)-c1ccccc1Cl)[*:1]
COCCC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 COC[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)C[*:1]
COCCC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] COCCC(=O)N[C@@H]1C[C@H](C)N(C1)[*:1]
COCCC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 COCC[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)[*:1]
CSCc1ccnc(N[C@@H](CO)c2cnn(C)c2)c1 CSC[*:1] Cn1cc(cn1)[C@H](CO)Nc1cc(ccn1)[*:1]
CSCc1ccnc(N[C@@H](CO)c2cnn(C)c2)c1 Cn1cc(cn1)[*:1] CSCc1ccnc(c1)N[C@@H](CO)[*:1]
CC(C)(C)[C@@]1(c2ccc(F)c(F)c2)CCC[NH2+]1 CC(C)(C)[*:1] Fc1ccc(cc1F)[C@]1(CCC[NH2+]1)[*:1]
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccnc2)ccc1F O=C(Nc1cccnc1)[*:1] Cc1cc(ccc1F)S(=O)(=O)[N-]c1ccccc1[*:1]
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccnc2)ccc1F c1cncc(c1)[*:1] Cc1cc(ccc1F)S(=O)(=O)[N-]c1ccccc1C(=O)N[*:1]
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccnc2)ccc1F Cc1cc(ccc1F)[*:1] O=C(Nc1cccnc1)c1ccccc1[N-]S(=O)(=O)[*:1]
O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1)N1CCCC1 FC(F)O[*:1] O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(cc1)[*:1])N1CCCC1
O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1)N1CCCC1 O=C(N1CCCC1)[*:1] FC(F)Oc1ccc(cc1)-n1c(cnc1SC[*:1])-c1ccccc1
O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1)N1CCCC1 FC(F)Oc1ccc(cc1)[*:1] O=C(CSc1ncc(-c2ccccc2)n1[*:1])N1CCCC1
O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1)N1CCCC1 O=C(CS[*:1])N1CCCC1 FC(F)Oc1ccc(cc1)-n1c(cnc1[*:1])-c1ccccc1
O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1)N1CCCC1 c1ccc(cc1)[*:1] O=C(CSc1ncc(n1-c1ccc(cc1)OC(F)F)[*:1])N1CCCC1
O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1)N1CCCC1 FC(F)[*:1] O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(cc1)O[*:1])N1CCCC1
O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1)N1CCCC1 O=C(C[*:1])N1CCCC1 FC(F)Oc1ccc(cc1)-n1c(cnc1S[*:1])-c1ccccc1
COC(=O)c1ccc(CN(C)Cc2c(Cl)nc3sccn23)cc1 COC(=O)[*:1] CN(Cc1ccc(cc1)[*:1])Cc1c(Cl)nc2sccn12
Cc1ccccc1[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)C1CC1 C1CC1[*:1] Cc1ccccc1[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)[*:1]
Cc1ccccc1[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)C1CC1 Cc1ccccc1[*:1] CC(C)(C[NH2+][C@@H](C1CC1)[*:1])NS(C)(=O)=O
Cc1ccccc1[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)C1CC1 CS(=O)(=O)N[*:1] Cc1ccccc1[C@@H]([NH2+]CC(C)(C)[*:1])C1CC1
Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] Cc1nn2c(NC3C[C@@H](C)CC(=O)C=3[C@H]2[*:1])c1-c1ccccc1
Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nn2c(NC3C[C@@H](C)CC(=O)C=3[C@@H]2c2ccccc2[N+](=O)[O-])c1[*:1]
Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn2c(NC3C[C@@H](C)CC(=O)C=3[C@@H]2c2ccccc2[*:1])c1-c1ccccc1
Cc1ccccc1-c1nnc(SCC(=O)N2CCN(C)CC2)n1-c1ccccc1 CN1CCN(CC1)C(=O)[*:1] Cc1ccccc1-c1nnc(SC[*:1])n1-c1ccccc1
Cc1ccccc1-c1nnc(SCC(=O)N2CCN(C)CC2)n1-c1ccccc1 Cc1ccccc1[*:1] CN1CCN(CC1)C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
Cc1ccccc1-c1nnc(SCC(=O)N2CCN(C)CC2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1-c1nnc(SCC(=O)N2CCN(C)CC2)n1[*:1]
COc1ccc(CN(C)C(=O)NCc2csc(C(C)C)n2)cc1F CC(C)[*:1] COc1ccc(cc1F)CN(C)C(=O)NCc1csc(n1)[*:1]
COc1ccc(CN(C)C(=O)NCc2csc(C(C)C)n2)cc1F CC(C)c1nc(cs1)[*:1] COc1ccc(cc1F)CN(C)C(=O)NC[*:1]
CN(C)C(=O)c1cc(NC(=O)C(C)(C)F)ccc1Cl CN(C)C(=O)[*:1] CC(C)(F)C(=O)Nc1ccc(Cl)c(c1)[*:1]
CN(C)C(=O)c1cc(NC(=O)C(C)(C)F)ccc1Cl CC(C)(F)[*:1] CN(C)C(=O)c1cc(ccc1Cl)NC(=O)[*:1]
CCn1nc(C)c(C[NH+](Cc2cccc(O)c2)C2CCC(O)CC2)c1C Oc1cccc(c1)[*:1] CCn1nc(C)c(C[NH+](C[*:1])C2CCC(O)CC2)c1C
CCn1nc(C)c(C[NH+](Cc2cccc(O)c2)C2CCC(O)CC2)c1C Oc1cccc(c1)C[*:1] CCn1nc(C)c(C[NH+](C2CCC(O)CC2)[*:1])c1C
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC2CCCC2)CC1=O O=C(NC1CCCC1)[*:1] CC[C@H](C)c1ccccc1N1C[C@H](CC1=O)[*:1]
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC2CCCC2)CC1=O C1CCC(C1)[*:1] CC[C@H](C)c1ccccc1N1C[C@@H](CC1=O)C(=O)N[*:1]
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NC2CCCC2)CC1=O CC[C@H](C)[*:1] O=C(NC1CCCC1)[C@@H]1CC(=O)N(C1)c1ccccc1[*:1]
Cc1csc(N2CCC(C(=O)Nc3ccc4c(C)n[nH]c4c3)CC2)n1 Cc1csc(n1)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)C1CCN(CC1)[*:1]
CC(C)(C)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 CC(C)(C)[*:1] O=C([O-])c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 O=C([O-])[*:1] CC(C)(C)c1ccc(cc1)NS(=O)(=O)c1cccc(c1)[*:1]
CSc1nc(=S)n(-c2cc(C)ccc2C)c(C)c1C(C)=O CC(=O)[*:1] CSc1nc(=S)n(-c2cc(C)ccc2C)c(C)c1[*:1]
C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c(F)c1 C#CC[*:1] Cc1ccc(cc1F)[C@@H](C)N[C@H](C)C(=O)N[*:1]
C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c(F)c1 C#CCNC(=O)[*:1] Cc1ccc(cc1F)[C@@H](C)N[C@H](C)[*:1]
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)[C@@H]1COc3ccccc3O1)C2 c1ccn(c1)[*:1] CC(C)(C)n1nc2CN(Cc2c1[*:1])C(=O)[C@@H]1COc2ccccc2O1
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)[C@@H]1COc3ccccc3O1)C2 CC(C)(C)[*:1] O=C([C@@H]1COc2ccccc2O1)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)Nc1cc(F)ccc1Cl CS(=O)(=O)N[*:1] C[C@@H](C(=O)Nc1cc(F)ccc1Cl)[*:1]
CC(C)[C@@H]1C(=O)NC(=O)C[C@@]12CCSC2 CC(C)[*:1] O=C1C[C@@]2(CCSC2)[C@@H](C(=O)N1)[*:1]
COc1ccc(C)c2c1N(CC#N)CCC2 N#CC[*:1] COc1ccc(C)c2CCCN(c12)[*:1]
C[NH+](C)CCNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[NH+](C)CCNC(=O)c1ccc(=O)n(n1)[*:1]
C[NH+](C)CCNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[NH+](C)CCNC(=O)c1ccc(=O)n(C[*:1])n1
CC[C@@H](COC)NC(=O)NNC(=O)Cc1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](COC)NC(=O)NNC(=O)C[*:1]
CC[C@@H](COC)NC(=O)NNC(=O)Cc1ccncc1 CC[C@@H](COC)[*:1] O=C(Cc1ccncc1)NNC(=O)N[*:1]
CC[C@@H](COC)NC(=O)NNC(=O)Cc1ccncc1 COC[*:1] CC[C@@H](NC(=O)NNC(=O)Cc1ccncc1)[*:1]
CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)C1 NC(=O)N[*:1] CC[C@@H]1CC[C@H](C1)[NH2+][C@@H](C)c1ccc(cc1)[*:1]
COc1ccc([C@H](NC(=O)N[C@@H](C)CSC)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NC(=O)N[C@@H](C)CSC)[*:1]
COc1ccc([C@H](NC(=O)N[C@@H](C)CSC)C2CC2)cc1 CSC[*:1] COc1ccc(cc1)[C@H](NC(=O)N[C@@H](C)[*:1])C1CC1
COc1ccc([C@H](NC(=O)N[C@@H](C)CSC)C2CC2)cc1 CSC[C@H](C)[*:1] COc1ccc(cc1)[C@H](NC(=O)N[*:1])C1CC1
CC[C@@H](CC(=O)Nc1cc(OC)ccn1)C(C)C CC(C)[*:1] CC[C@@H](CC(=O)Nc1cc(ccn1)OC)[*:1]
CC[C@@H](CC(=O)Nc1cc(OC)ccn1)C(C)C CC[C@@H](C(C)C)[*:1] COc1ccnc(c1)NC(=O)C[*:1]
CC(C)C[C@@H](C)OCCC(=O)N(C)c1cccc(C#N)c1 CC(C)[*:1] C[C@H](C[*:1])OCCC(=O)N(C)c1cccc(C#N)c1
CC(C)C[C@@H](C)OCCC(=O)N(C)c1cccc(C#N)c1 CC(C)C[*:1] C[C@@H](OCCC(=O)N(C)c1cccc(C#N)c1)[*:1]
CC(C)C[C@@H](C)OCCC(=O)N(C)c1cccc(C#N)c1 CC(C)C[C@@H](C)[*:1] CN(C(=O)CCO[*:1])c1cccc(C#N)c1
CC(C)C[C@@H](C)OCCC(=O)N(C)c1cccc(C#N)c1 CC(C)C[C@@H](C)O[*:1] CN(C(=O)CC[*:1])c1cccc(C#N)c1
CC(C)[C@H]([NH2+]Cc1nncn1C)c1ccccc1Cl CC(C)[*:1] Cn1cnnc1C[NH2+][C@H](c1ccccc1Cl)[*:1]
CC(C)[C@H]([NH2+]Cc1nncn1C)c1ccccc1Cl Cn1cnnc1[*:1] CC(C)[C@H]([NH2+]C[*:1])c1ccccc1Cl
COc1ncccc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)CC[*:1] COc1ncccc1C(=O)NCc1[nH+]ccn1[*:1]
COc1ncccc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 COc1ncccc1[*:1] O=C(NCc1[nH+]ccn1CCc1ccccc1)[*:1]
COc1ncccc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)C[*:1] COc1ncccc1C(=O)NCc1[nH+]ccn1C[*:1]
COc1ncccc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)[*:1] COc1ncccc1C(=O)NCc1[nH+]ccn1CC[*:1]
COc1ccc(-c2csc(-c3nnn(-c4ccc(OCc5ccccc5)cc4)c3N)n2)cc1 c1ccc(cc1)CO[*:1] COc1ccc(cc1)-c1csc(n1)-c1nnn(-c2ccc(cc2)[*:1])c1N
COc1ccc(-c2csc(-c3nnn(-c4ccc(OCc5ccccc5)cc4)c3N)n2)cc1 COc1ccc(cc1)[*:1] Nc1c(nnn1-c1ccc(cc1)OCc1ccccc1)-c1nc(cs1)[*:1]
COc1ccc(-c2csc(-c3nnn(-c4ccc(OCc5ccccc5)cc4)c3N)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1csc(n1)-c1nnn(-c2ccc(cc2)OC[*:1])c1N
COc1ccc(-c2csc(-c3nnn(-c4ccc(OCc5ccccc5)cc4)c3N)n2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1csc(n1)-c1nnn(-c2ccc(cc2)O[*:1])c1N
O=C(Nc1cccc(OCc2ccc(F)cc2)c1)N1CCOCC1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)OC[*:1])N1CCOCC1
O=C(Nc1cccc(OCc2ccc(F)cc2)c1)N1CCOCC1 Fc1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)O[*:1])N1CCOCC1
COc1ccccc1C1(CNC(=O)N2CC[C@H](CCO)C2)CCCC1 COc1ccccc1[*:1] O=C(NCC1(CCCC1)[*:1])N1CC[C@H](CCO)C1
COc1ccccc1C1(CNC(=O)N2CC[C@H](CCO)C2)CCCC1 OCC[*:1] COc1ccccc1C1(CCCC1)CNC(=O)N1CC[C@H](C1)[*:1]
O=C(CCn1cnnc1)NCc1cc2n(n1)CC[NH+](C1CCCCC1)C2 C1CCC(CC1)[*:1] O=C(CCn1cnnc1)NCc1cc2C[NH+](CCn2n1)[*:1]
O=C(CCn1cnnc1)NCc1cc2n(n1)CC[NH+](C1CCCCC1)C2 c1nncn1CC[*:1] O=C(NCc1cc2C[NH+](CCn2n1)C1CCCCC1)[*:1]
O=C(CCn1cnnc1)NCc1cc2n(n1)CC[NH+](C1CCCCC1)C2 c1nncn1C[*:1] O=C(C[*:1])NCc1cc2C[NH+](CCn2n1)C1CCCCC1
O=C(CCn1cnnc1)NCc1cc2n(n1)CC[NH+](C1CCCCC1)C2 c1nncn1[*:1] O=C(CC[*:1])NCc1cc2C[NH+](CCn2n1)C1CCCCC1
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccccc1-c1nc2ccccc2s1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1ccccc1-c1nc2ccccc2s1
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccccc1-c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccccc1[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccccc1-c1nc2ccccc2s1 O=C(N[*:1])c1ccoc1 C[C@H](C(=O)Nc1ccccc1-c1nc2ccccc2s1)[*:1]
O=C(COc1ccc(F)cc1)NCc1ccc([N+]2=CCCC2)cc1 Fc1ccc(cc1)[*:1] O=C(CO[*:1])NCc1ccc(cc1)[N+]1=CCCC1
O=C(COc1ccc(F)cc1)NCc1ccc([N+]2=CCCC2)cc1 Fc1ccc(cc1)O[*:1] O=C(C[*:1])NCc1ccc(cc1)[N+]1=CCCC1
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(C)=O CC(=O)[*:1] CC(=O)N[C@@H](Cc1ccc(O)cc1)[*:1]
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(C)=O CC(=O)N[*:1] CC(=O)[C@H](Cc1ccc(O)cc1)[*:1]
Cn1cc(C(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2cccc(F)c2)ccc1=O Fc1cccc(c1)[*:1] Cn1cc(ccc1=O)C(=O)N1CCC[C@@H]1c1nc(N)ncc1[*:1]
Cn1cc(C(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2cccc(F)c2)ccc1=O Cn1cc(ccc1=O)[*:1] Nc1ncc(-c2cccc(F)c2)c(n1)[C@H]1CCCN1C(=O)[*:1]
C[C@H]1CCN(C(=O)CSc2nnnn2C2CC2)C[C@@H]1O C1CC1[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)CSc1nnnn1[*:1]
Cc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 O=[N+]([O-])[*:1] Cc1ccc(F)c(c1)NC(=O)c1ccc(o1)[*:1]
CCOc1ccc([C@@H]2C(C#N)=C(N)Nc3oc(C)nc32)c(OCC)c1 CCO[*:1] CCOc1ccc(c(c1)[*:1])[C@@H]1C(C#N)=C(N)Nc2oc(C)nc21
CCOc1ccc([C@@H]2C(C#N)=C(N)Nc3oc(C)nc32)c(OCC)c1 CCO[*:1] CCOc1cc(ccc1[C@@H]1C(C#N)=C(N)Nc2oc(C)nc21)[*:1]
Cc1cc([C@H](Br)CC2CC2)sc1Br C1CC1[*:1] Cc1cc(sc1Br)[C@H](Br)C[*:1]
Cc1cc([C@H](Br)CC2CC2)sc1Br C1CC1C[*:1] Cc1cc(sc1Br)[C@H](Br)[*:1]
c1cnn(CCNc2nc[nH+]c3c2CCN(Cc2ccsc2)CC3)c1 c1cnn(c1)C[*:1] c1nc(NC[*:1])c2CCN(CCc2[nH+]1)Cc1ccsc1
c1cnn(CCNc2nc[nH+]c3c2CCN(Cc2ccsc2)CC3)c1 c1cnn(c1)[*:1] c1nc(NCC[*:1])c2CCN(CCc2[nH+]1)Cc1ccsc1
c1cnn(CCNc2nc[nH+]c3c2CCN(Cc2ccsc2)CC3)c1 c1cnn(c1)CC[*:1] c1nc(N[*:1])c2CCN(CCc2[nH+]1)Cc1ccsc1
c1cnn(CCNc2nc[nH+]c3c2CCN(Cc2ccsc2)CC3)c1 c1cc(cs1)C[*:1] c1cnn(c1)CCNc1nc[nH+]c2CCN(CCc12)[*:1]
c1cnn(CCNc2nc[nH+]c3c2CCN(Cc2ccsc2)CC3)c1 c1cnn(c1)CCN[*:1] c1nc(c2CCN(CCc2[nH+]1)Cc1ccsc1)[*:1]
c1cnn(CCNc2nc[nH+]c3c2CCN(Cc2ccsc2)CC3)c1 c1cc(cs1)[*:1] c1cnn(c1)CCNc1nc[nH+]c2CCN(CCc12)C[*:1]
O=C([O-])CCCC(=O)Nc1ccccc1C(=O)[O-] O=C([O-])C[*:1] O=C(CC[*:1])Nc1ccccc1C(=O)[O-]
O=C([O-])CCCC(=O)Nc1ccccc1C(=O)[O-] O=C([O-])CCC[*:1] O=C([O-])c1ccccc1NC(=O)[*:1]
O=C([O-])CCCC(=O)Nc1ccccc1C(=O)[O-] O=C([O-])[*:1] O=C([O-])CCCC(=O)Nc1ccccc1[*:1]
O=C([O-])CCCC(=O)Nc1ccccc1C(=O)[O-] O=C([O-])CC[*:1] O=C(C[*:1])Nc1ccccc1C(=O)[O-]
O=C([O-])CCCC(=O)Nc1ccccc1C(=O)[O-] O=C([O-])[*:1] O=C(CCC[*:1])Nc1ccccc1C(=O)[O-]
O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C([C@@H]1CCCN(C1)C[*:1])N1CCC(O)(CC1)C(F)(F)F
O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)C[*:1] O=C([C@@H]1CCCN(C1)[*:1])N1CCC(O)(CC1)C(F)(F)F
O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C([C@@H]1CCCN(C1)CC(F)(F)F)N1CCC(O)(CC1)[*:1]
COCC[C@@H](C)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 COCC[C@@H](C)[*:1] O=C(N1CCO[C@H](C1)c1ccc(Cl)cc1)[*:1]
COCC[C@@H](C)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] COCC[C@@H](C)C(=O)N1CCO[C@@H](C1)[*:1]
COCC[C@@H](C)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 COCC[*:1] C[C@@H](C(=O)N1CCO[C@H](C1)c1ccc(Cl)cc1)[*:1]
COCC[C@@H](C)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 COC[*:1] C[C@H](C[*:1])C(=O)N1CCO[C@H](C1)c1ccc(Cl)cc1
CCOC(Cn1c(=S)[nH]c2ccccc2c1=O)OCC CCO[*:1] CCOC(Cn1c(=S)[nH]c2ccccc2c1=O)[*:1]
CC(C)CNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)CNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)[*:1]
CC(C)CNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1 CC(C)C[*:1] O=C(N[*:1])[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1
CC(C)CNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1 CC(C)CNC(=O)[*:1] O=C(c1cccc(Cl)c1)N1[C@@H](COC12CCCCC2)[*:1]
CC(C)CNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1 CC(C)[*:1] O=C(NC[*:1])[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1
CCCNC(=S)Nc1cccc2c(O)cccc12 CCC[*:1] Oc1cccc2c(cccc12)NC(=S)N[*:1]
O=C1C[NH+](Cc2ccc(C(=O)[O-])cc2)CCN1 O=C([O-])[*:1] O=C1C[NH+](CCN1)Cc1ccc(cc1)[*:1]
COCc1cc(=O)n(CC(=O)Nc2ccccc2C(C)C)c(N2CCCC2)n1 CC(C)[*:1] COCc1cc(=O)n(CC(=O)Nc2ccccc2[*:1])c(n1)N1CCCC1
COCc1cc(=O)n(CC(=O)Nc2ccccc2C(C)C)c(N2CCCC2)n1 C1CCN(C1)[*:1] COCc1cc(=O)n(CC(=O)Nc2ccccc2C(C)C)c(n1)[*:1]
COCc1cc(=O)n(CC(=O)Nc2ccccc2C(C)C)c(N2CCCC2)n1 CC(C)c1ccccc1[*:1] COCc1cc(=O)n(CC(=O)N[*:1])c(n1)N1CCCC1
COCc1cc(=O)n(CC(=O)Nc2ccccc2C(C)C)c(N2CCCC2)n1 COC[*:1] CC(C)c1ccccc1NC(=O)Cn1c(nc(cc1=O)[*:1])N1CCCC1
Cc1ccc(CNC(=O)c2nnc(CSc3ncnc4c3cnn4C)s2)cc1 Cc1ccc(cc1)C[*:1] Cn1ncc2c(ncnc21)SCc1nnc(s1)C(=O)N[*:1]
Cc1ccc(CNC(=O)c2nnc(CSc3ncnc4c3cnn4C)s2)cc1 Cc1ccc(cc1)[*:1] Cn1ncc2c(ncnc21)SCc1nnc(s1)C(=O)NC[*:1]
C=CCN1C(N)=[NH+]C[C@H]1c1cccc2ccccc12 C=CC[*:1] NC1=[NH+]C[C@@H](c2cccc3ccccc23)N1[*:1]
CCOC(=O)c1ccc(CN2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)o1 CCOC(=O)[*:1] CN1C(=O)[C@]2(CCCN(Cc3ccc(o3)[*:1])C2)c2ccccc21
CCn1ccnc1CNC(=O)c1cn(Cc2ccccc2F)nn1 CCn1ccnc1C[*:1] O=C(N[*:1])c1cn(Cc2ccccc2F)nn1
CCn1ccnc1CNC(=O)c1cn(Cc2ccccc2F)nn1 Fc1ccccc1C[*:1] CCn1ccnc1CNC(=O)c1cn(nn1)[*:1]
CCn1ccnc1CNC(=O)c1cn(Cc2ccccc2F)nn1 Fc1ccccc1[*:1] CCn1ccnc1CNC(=O)c1cn(C[*:1])nn1
CCn1ccnc1CNC(=O)c1cn(Cc2ccccc2F)nn1 CCn1ccnc1[*:1] O=C(NC[*:1])c1cn(Cc2ccccc2F)nn1
CCC[NH2+][C@H]1COC[C@H]1c1nc2cc(CC)ccc2o1 CCC[*:1] CCc1ccc2oc(nc2c1)[C@@H]1COC[C@@H]1[NH2+][*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](O)c2ccccc2)C1 O[C@@H](c1ccccc1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](O)c2ccccc2)C1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCCN(C1)C(=O)[C@@H](O)c1ccccc1)O[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](O)c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)[C@@H](O)[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](O)c2ccccc2)C1 CC(C)(C)OC(=O)N[*:1] O=C([C@@H](O)c1ccccc1)N1CCC[C@H](C1)C[*:1]
CCOC(=O)C1(C)CCN(C(=O)CO[C@@H]2CCCC[C@@H]2C)CC1 CCOC(=O)[*:1] C[C@H]1CCCC[C@H]1OCC(=O)N1CCC(C)(CC1)[*:1]
C[C@H](Nc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](Nc1ccc(F)c(F)c1)c1ccc(cc1)[*:1]
C[C@@H](Cc1ccccc1F)C(=O)N1CCN(C(=O)c2ccncc2)CC1 Fc1ccccc1[*:1] C[C@@H](C[*:1])C(=O)N1CCN(CC1)C(=O)c1ccncc1
C[C@@H](Cc1ccccc1F)C(=O)N1CCN(C(=O)c2ccncc2)CC1 Fc1ccccc1C[*:1] C[C@@H](C(=O)N1CCN(CC1)C(=O)c1ccncc1)[*:1]
C[C@@H](Cc1ccccc1F)C(=O)N1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] C[C@@H](Cc1ccccc1F)C(=O)N1CCN(CC1)C(=O)[*:1]
Cn1cc(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cn1 Cn1cc(cn1)[*:1] O=C([O-])[C@@H]1CN(C[C@H]1C1CC1)C(=O)CC[*:1]
Cn1cc(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cn1 Cn1cc(cn1)C[*:1] O=C([O-])[C@@H]1CN(C[C@H]1C1CC1)C(=O)C[*:1]
Cn1cc(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cn1 O=C([O-])[*:1] Cn1cc(cn1)CCC(=O)N1C[C@@H](C2CC2)[C@H](C1)[*:1]
Cn1cc(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cn1 C1CC1[*:1] Cn1cc(cn1)CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C1)[*:1]
COc1cc(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)cc2c1OCCO2 CC(C)C[*:1] COc1cc(cc2OCCOc12)C(=O)Nc1ccc(O[*:1])c(Cl)c1
COc1cc(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)cc2c1OCCO2 CC(C)[*:1] COc1cc(cc2OCCOc12)C(=O)Nc1ccc(OC[*:1])c(Cl)c1
COc1cc(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)cc2c1OCCO2 CC(C)CO[*:1] COc1cc(cc2OCCOc12)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCNC(=O)c1ccc(NC(=O)NCC(C)(C)c2ccncc2)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)NCC(C)(C)c1ccncc1)[*:1]
CCNC(=O)c1ccc(NC(=O)NCC(C)(C)c2ccncc2)c(C)c1 c1cc(ccn1)[*:1] CCNC(=O)c1ccc(NC(=O)NCC(C)(C)[*:1])c(C)c1
Cc1cc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)no1 Cc1cc(no1)[*:1] O=C(N1CCC[C@H](C1)c1nnc2CCCCCn21)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)Nc1cc(ccc1N(C)C)C(F)(F)F
CN(C[C@@H](O)C1CC1)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C FC(F)(F)[*:1] CN(C[C@@H](O)C1CC1)C(=O)Nc1cc(ccc1N(C)C)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C CN(C)[*:1] CN(C[C@@H](O)C1CC1)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CC(C)[C@H]1C(=O)NCCN1C(=O)CCc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)CCc1nncn1[*:1]
CC(C)[C@H]1C(=O)NCCN1C(=O)CCc1nncn1-c1ccccc1 CC(C)[*:1] O=C1NCCN(C(=O)CCc2nncn2-c2ccccc2)[C@H]1[*:1]
CC(C)[C@H](CO)NC(=O)COc1ccc(Cl)c(Cl)c1 CC(C)[*:1] O=C(COc1ccc(Cl)c(Cl)c1)N[C@@H](CO)[*:1]
CC(C)[C@H](CO)NC(=O)COc1ccc(Cl)c(Cl)c1 CC(C)[C@H](CO)[*:1] O=C(COc1ccc(Cl)c(Cl)c1)N[*:1]
CCc1c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cnn1-c1ccc(OC)nn1 COc1ccc(nn1)[*:1] CCc1c(cnn1[*:1])C(=O)N1CCC(CC1)C[NH+]1CCCCCC1
CCOC(=O)c1ccsc1NC(=O)CSc1nnc2[nH]c3ccccc3n12 CCOC(=O)[*:1] O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1sccc1[*:1]
COCC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 CN(C)C(=O)[*:1] COCC(=O)Nc1ccc(c(C)c1)[*:1]
COCC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 COCC(=O)N[*:1] Cc1cc(ccc1C(=O)N(C)C)[*:1]
COCC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 COC[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)[*:1]
O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CC=C(c2c[nH]c3ncccc23)CC1 c1cnc2[nH]cc(c2c1)[*:1] O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CC=C(CC1)[*:1]
COc1ccc(F)c(NC(=O)CCNC(=O)C(C)(C)C)c1 CC(C)(C)[*:1] COc1ccc(F)c(c1)NC(=O)CCNC(=O)[*:1]
COc1ccc(F)c(NC(=O)CCNC(=O)C(C)(C)C)c1 CC(C)(C)C(=O)N[*:1] COc1ccc(F)c(c1)NC(=O)CC[*:1]
Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)NC2CCCC2)c1 O=C(C[*:1])NC1CCCC1 Cc1cccc(c1)NC(=O)c1c(C)cc(C)nc1S[*:1]
Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] Cc1cccc(c1)NC(=O)c1c(C)cc(C)nc1SCC(=O)N[*:1]
Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)NC2CCCC2)c1 Cc1cccc(c1)[*:1] Cc1cc(C)c(C(=O)N[*:1])c(n1)SCC(=O)NC1CCCC1
Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)NC2CCCC2)c1 O=C(NC1CCCC1)[*:1] Cc1cccc(c1)NC(=O)c1c(C)cc(C)nc1SC[*:1]
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)[C@H]2Sc3[nH]c(=O)sc3C(C)(C)[C@H]42)cc1 Cc1ccc(cc1)[*:1] CC1(C)c2sc(=O)[nH]c2S[C@H]2[C@H]1[C@H]1C[C@@H]2[C@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
CC1CC[NH+](CC(=O)c2cccs2)CC1 c1csc(c1)[*:1] CC1CC[NH+](CC1)CC(=O)[*:1]
Cc1ccc(CC(=O)N2CCC(OCCC[NH3+])CC2)cc1 Cc1ccc(cc1)[*:1] [NH3+]CCCOC1CCN(CC1)C(=O)C[*:1]
C[C@@H]1C[NH2+]CCN1CCC(C)(C)O CC(C)(O)[*:1] C[C@@H]1C[NH2+]CCN1CC[*:1]
Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]nc2C)CC1 FC(F)(F)[*:1] Cc1nc(ccc1C(=O)N[C@@H]1CCCN(CC1)C(=O)c1c[nH]nc1C)[*:1]
O/C(=N\CC[NH2+]C[C@@H]1C[C@H]2C=C[C@@H]1C2)c1ncccc1O Oc1cccnc1[*:1] O/C(=N\CC[NH2+]C[C@@H]1C[C@H]2C=C[C@@H]1C2)[*:1]
CCOc1cc2c(cc1OCC)[C@H](c1c(F)cccc1Cl)CC(=O)N2 CCO[*:1] CCOc1cc2c(cc1[*:1])NC(=O)C[C@H]2c1c(F)cccc1Cl
CCOc1cc2c(cc1OCC)[C@H](c1c(F)cccc1Cl)CC(=O)N2 CCO[*:1] CCOc1cc2NC(=O)C[C@H](c2cc1[*:1])c1c(F)cccc1Cl
CCOc1cc2c(cc1OCC)[C@H](c1c(F)cccc1Cl)CC(=O)N2 Fc1cccc(Cl)c1[*:1] CCOc1cc2NC(=O)C[C@@H](c2cc1OCC)[*:1]
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 N#Cc1cccc(c1)C[*:1] C[NH+](C)CCN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)[*:1]
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 N#Cc1cccc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Cc1c[nH]c2cc(Cl)ccc12
O=C(NC[C@H]1C[C@@]12CCc1ccccc12)N1CC[NH+](C2CC2)CC1 C1CC1[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)N1CC[NH+](CC1)[*:1]
COc1ncccc1Cn1ccc(C(=O)[O-])n1 O=C([O-])[*:1] COc1ncccc1Cn1ccc(n1)[*:1]
Cc1ccc(-n2ccn3c(CCC(=O)NCc4ccc(F)cc4)nnc3c2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(CCc1nnc2c(=O)n(ccn12)[*:1])NCc1ccc(F)cc1
Cc1ccc(-n2ccn3c(CCC(=O)NCc4ccc(F)cc4)nnc3c2=O)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1ccn2c(CCC(=O)NC[*:1])nnc2c1=O
Cc1ccc(-n2ccn3c(CCC(=O)NCc4ccc(F)cc4)nnc3c2=O)cc1C Fc1ccc(cc1)C[*:1] Cc1ccc(cc1C)-n1ccn2c(CCC(=O)N[*:1])nnc2c1=O
Cn1ncnc1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O Cn1ncnc1[*:1] O=C(N[C@H]1CCN(C1=O)c1ccc(Cl)cc1)N[*:1]
Cn1ncnc1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] Cn1ncnc1NC(=O)N[C@H]1CCN(C1=O)[*:1]
CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CN(Cc1ccc(Cl)cc1Cl)C(=O)N[*:1]
CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(Cl)cc1Cl)C(=O)NC[*:1]
CN(C(=O)NCCOc1cccc(F)c1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)NCCOc1cccc(F)c1)[*:1]
CN(C(=O)NCCOc1cccc(F)c1)C1CCCCC1 Fc1cccc(c1)[*:1] CN(C(=O)NCCO[*:1])C1CCCCC1
CC[C@H]1SC[C@H](C(=O)[O-])N1C(=O)c1ccc(F)c(F)c1F O=C([O-])[*:1] CC[C@H]1SC[C@H](N1C(=O)c1ccc(F)c(F)c1F)[*:1]
CCc1noc(C)c1C(=O)N1CCc2[nH]nc(-c3c(F)cccc3F)c2C1 CCc1noc(C)c1[*:1] O=C(N1CCc2[nH]nc(c2C1)-c1c(F)cccc1F)[*:1]
CCc1noc(C)c1C(=O)N1CCc2[nH]nc(-c3c(F)cccc3F)c2C1 Fc1cccc(F)c1[*:1] CCc1noc(C)c1C(=O)N1CCc2[nH]nc(c2C1)[*:1]
OC[C@@H](Nc1ccc(F)cc1)c1cccc(C2CC2)c1 C1CC1[*:1] OC[C@@H](Nc1ccc(F)cc1)c1cccc(c1)[*:1]
Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1nn(cc1[C@H](C)[NH2+][C@@H](C)[*:1])C(C)(C)C
Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 CC(C)(C)[*:1] Cc1nn(cc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1)[*:1]
C[C@H](CC(=O)N1CCC2(CC1)CN(CCCC(=O)[O-])C(=O)O2)n1cc[nH+]c1 O=C([O-])CC[*:1] C[C@H](CC(=O)N1CCC2(CC1)CN(C[*:1])C(=O)O2)n1cc[nH+]c1
C[C@H](CC(=O)N1CCC2(CC1)CN(CCCC(=O)[O-])C(=O)O2)n1cc[nH+]c1 O=C([O-])CCC[*:1] C[C@H](CC(=O)N1CCC2(CC1)CN(C(=O)O2)[*:1])n1cc[nH+]c1
C[C@H](CC(=O)N1CCC2(CC1)CN(CCCC(=O)[O-])C(=O)O2)n1cc[nH+]c1 O=C([O-])C[*:1] C[C@H](CC(=O)N1CCC2(CC1)CN(CC[*:1])C(=O)O2)n1cc[nH+]c1
C[C@H](CC(=O)N1CCC2(CC1)CN(CCCC(=O)[O-])C(=O)O2)n1cc[nH+]c1 O=C([O-])[*:1] C[C@H](CC(=O)N1CCC2(CC1)CN(CCC[*:1])C(=O)O2)n1cc[nH+]c1
O=C(CN1CCC(O)(C(F)(F)F)CC1)NC(=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(CN1CCC(O)(CC1)[*:1])NC(=O)NCC(F)(F)F
O=C(CN1CCC(O)(C(F)(F)F)CC1)NC(=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(CN1CCC(O)(CC1)C(F)(F)F)NC(=O)NC[*:1]
O=C(CN1CCC(O)(C(F)(F)F)CC1)NC(=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CN1CCC(O)(CC1)C(F)(F)F)NC(=O)N[*:1]
Cc1cc(C(=O)N(CC(F)(F)F)c2ccccn2)ccc1-n1cncn1 FC(F)(F)C[*:1] Cc1cc(ccc1-n1cncn1)C(=O)N(c1ccccn1)[*:1]
Cc1cc(C(=O)N(CC(F)(F)F)c2ccccn2)ccc1-n1cncn1 c1ccc(nc1)[*:1] Cc1cc(ccc1-n1cncn1)C(=O)N(CC(F)(F)F)[*:1]
Cc1cc(C(=O)N(CC(F)(F)F)c2ccccn2)ccc1-n1cncn1 c1ncn(n1)[*:1] Cc1cc(ccc1[*:1])C(=O)N(CC(F)(F)F)c1ccccn1
Cc1cc(C(=O)N(CC(F)(F)F)c2ccccn2)ccc1-n1cncn1 FC(F)(F)[*:1] Cc1cc(ccc1-n1cncn1)C(=O)N(C[*:1])c1ccccn1
COCc1cc(NC(=O)NC[C@H]2C[C@H]2c2ccccc2)ncn1 COC[*:1] O=C(NC[C@H]1C[C@H]1c1ccccc1)Nc1cc(ncn1)[*:1]
COCc1cc(NC(=O)NC[C@H]2C[C@H]2c2ccccc2)ncn1 c1ccc(cc1)[*:1] COCc1cc(ncn1)NC(=O)NC[C@H]1C[C@@H]1[*:1]
CCOC(=O)C1=C(C)C(C(=O)[C@H](C)N2C(=O)CC3(CCCC3)C2=O)=N[C@H]1C CCOC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)[C@H](C)N1C(=O)CC2(CCCC2)C1=O
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccccc1N1CCCC1)CS2 C1CCN(C1)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1ccccc1[*:1]
c1cc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] c1cc(cc(c1)[*:1])C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21
CC1(C)CCCC[C@]12C(=N)NC(=O)N2CC1CC1 C1CC1C[*:1] CC1(C)CCCC[C@]12C(=N)NC(=O)N2[*:1]
CC1(C)CCCC[C@]12C(=N)NC(=O)N2CC1CC1 C1CC1[*:1] CC1(C)CCCC[C@]12C(=N)NC(=O)N2C[*:1]
CC1CCN(S(=O)(=O)c2ccc(-c3noc(-c4cnccn4)n3)cc2)CC1 c1cnc(cn1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1noc(n1)[*:1]
Cc1cc[nH+]c2c1NC(=O)[C@H](C1CC1)N2 C1CC1[*:1] Cc1cc[nH+]c2N[C@@H](C(=O)Nc12)[*:1]
O=C(c1ccco1)N1CCN(C(=S)Nc2ccccc2C(F)(F)F)CC1 c1coc(c1)[*:1] O=C(N1CCN(CC1)C(=S)Nc1ccccc1C(F)(F)F)[*:1]
O=C(c1ccco1)N1CCN(C(=S)Nc2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=S)Nc1ccccc1[*:1]
Cn1cncc1[C@H]1CC(=O)NC(=O)[C@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cn1cncc1[C@H]1CC(=O)NC(=O)[C@@H]1[*:1]
Cn1cncc1[C@H]1CC(=O)NC(=O)[C@H]1c1ccc(Br)cc1 Cn1cncc1[*:1] O=C1C[C@@H]([C@@H](C(=O)N1)c1ccc(Br)cc1)[*:1]
CCC(=O)c1ccc(N2CC[NH2+]CC2)c(F)c1 CCC(=O)[*:1] Fc1cc(ccc1N1CC[NH2+]CC1)[*:1]
CN(CCOCC1CC1)C(=O)C1(c2cccc(F)c2)CCOCC1 C1CC1CO[*:1] CN(CC[*:1])C(=O)C1(CCOCC1)c1cccc(F)c1
CN(CCOCC1CC1)C(=O)C1(c2cccc(F)c2)CCOCC1 C1CC1[*:1] CN(CCOC[*:1])C(=O)C1(CCOCC1)c1cccc(F)c1
CN(CCOCC1CC1)C(=O)C1(c2cccc(F)c2)CCOCC1 Fc1cccc(c1)[*:1] CN(CCOCC1CC1)C(=O)C1(CCOCC1)[*:1]
CN(CCOCC1CC1)C(=O)C1(c2cccc(F)c2)CCOCC1 C1CC1C[*:1] CN(CCO[*:1])C(=O)C1(CCOCC1)c1cccc(F)c1
CN(CCOCC1CC1)C(=O)C1(c2cccc(F)c2)CCOCC1 C1CC1COC[*:1] CN(C[*:1])C(=O)C1(CCOCC1)c1cccc(F)c1
CN(CCOCC1CC1)C(=O)C1(c2cccc(F)c2)CCOCC1 C(C[*:1])OCC1CC1 CN(C(=O)C1(CCOCC1)c1cccc(F)c1)[*:1]
CCCCc1ccc(NC(=S)Nc2cccc3cnccc23)cc1 CCCC[*:1] S=C(Nc1ccc(cc1)[*:1])Nc1cccc2cnccc12
CCCCc1ccc(NC(=S)Nc2cccc3cnccc23)cc1 CCC[*:1] S=C(Nc1ccc(cc1)C[*:1])Nc1cccc2cnccc12
CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc1C Fc1ccc(cc1)[*:1] CCOC(=O)c1sc(nc1C)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc1C CCOC(=O)[*:1] Cc1nc(NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)c2ccc(F)cc2)sc1[*:1]
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc2nsnc2c1 c1cc2nsnc2cc1[*:1] O=C(NC(=S)Nc1cccc(c1)-c1nc2ccccc2[nH]1)[*:1]
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc2nsnc2c1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NC(=S)Nc1cccc(c1)[*:1])c1ccc2nsnc2c1
C=CC[NH+](CC(=O)[O-])C1CCCCC1 O=C([O-])[*:1] C=CC[NH+](C[*:1])C1CCCCC1
C=CC[NH+](CC(=O)[O-])C1CCCCC1 C=CC[*:1] O=C([O-])C[NH+](C1CCCCC1)[*:1]
C=CC[NH+](CC(=O)[O-])C1CCCCC1 O=C([O-])C[*:1] C=CC[NH+](C1CCCCC1)[*:1]
N#Cc1cccc(CNC(=O)c2cc3ccccc3c3cccnc23)c1 N#Cc1cccc(c1)[*:1] O=C(NC[*:1])c1cc2ccccc2c2cccnc12
Cc1cc([O-])c([C@@H](c2ccccc2)c2c(O)cc(C)oc2=O)c(=O)o1 c1ccc(cc1)[*:1] Cc1cc([O-])c(c(=O)o1)[C@@H](c1c(O)cc(C)oc1=O)[*:1]
Cn1c(C(=O)Nc2cccnc2)cc2ccc(Cl)cc21 c1cncc(c1)[*:1] Cn1c(cc2ccc(Cl)cc21)C(=O)N[*:1]
O=C(Cc1ccc(F)c(F)c1)N1CCS[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Cc1ccc(F)c(F)c1)N1CCS[C@@H](C1)[*:1]
CC(C)c1ccc([C@H](O)CNC(=O)CNC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 CC(C)c1ccc(cc1)[C@H](O)CNC(=O)C[*:1]
CC(C)c1ccc([C@H](O)CNC(=O)CNC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CC(C)c1ccc(cc1)[C@H](O)CNC(=O)CNC(=O)[*:1]
CC(C)c1ccc([C@H](O)CNC(=O)CNC(=O)c2ccco2)cc1 CC(C)[*:1] O=C(CNC(=O)c1ccco1)NC[C@@H](O)c1ccc(cc1)[*:1]
C=CCNC(=O)C(=O)NCCC[NH+](C)C C=CC[*:1] C[NH+](C)CCCNC(=O)C(=O)N[*:1]
CCS[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2F)C1 CCS[*:1] N#Cc1ccc(N[C@@H]2CC[C@H](C2)[*:1])c(F)c1
CCCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1Br CCC[*:1] O=c1c(Br)c([nH]n1-c1ccc(Cl)cc1)[*:1]
NC(=O)CCN(C(=O)CNC(=O)c1cccs1)c1ccccc1 NC(=O)C[*:1] O=C(NCC(=O)N(C[*:1])c1ccccc1)c1cccs1
NC(=O)CCN(C(=O)CNC(=O)c1cccs1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)CCN(C(=O)CNC(=O)c1cccs1)[*:1]
NC(=O)CCN(C(=O)CNC(=O)c1cccs1)c1ccccc1 c1csc(c1)[*:1] NC(=O)CCN(C(=O)CNC(=O)[*:1])c1ccccc1
NC(=O)CCN(C(=O)CNC(=O)c1cccs1)c1ccccc1 NC(=O)[*:1] O=C(NCC(=O)N(CC[*:1])c1ccccc1)c1cccs1
NC(=O)CCN(C(=O)CNC(=O)c1cccs1)c1ccccc1 NC(=O)CC[*:1] O=C(NCC(=O)N(c1ccccc1)[*:1])c1cccs1
Cc1cc(C(=O)NCCOc2cccc(Br)c2)ccc1[N+](=O)[O-] Brc1cccc(c1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NCCO[*:1]
Cc1cc(C(=O)NCCOc2cccc(Br)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NCCOc1cccc(Br)c1
O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 FC(F)(F)[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(cn1)[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(cn1)C(F)(F)F)N1CCC[C@@H]1[*:1]
O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 FC(F)(F)c1ccc(nc1)[*:1] O=C(C[NH+]1CCN(CC1)[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
CCC[NH2+][C@H](c1ccn(Cc2ncccn2)c1)C(C)C CCC[*:1] CC(C)[C@H]([NH2+][*:1])c1ccn(c1)Cc1ncccn1
CCC[NH2+][C@H](c1ccn(Cc2ncccn2)c1)C(C)C CC(C)[*:1] CCC[NH2+][C@H](c1ccn(c1)Cc1ncccn1)[*:1]
CCC[NH2+][C@H](c1ccn(Cc2ncccn2)c1)C(C)C c1cnc(nc1)[*:1] CCC[NH2+][C@H](c1ccn(c1)C[*:1])C(C)C
CC1=NN(c2ccccc2)C(=O)[C@H]1CNc1cccc2ccccc12 c1ccc(cc1)[*:1] CC1=NN(C(=O)[C@H]1CNc1cccc2ccccc12)[*:1]
CC(C)(C)NC(=O)CSc1nnc(NC(=O)c2c(F)cccc2F)s1 CC(C)(C)[*:1] O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)N[*:1]
CC(C)(C)NC(=O)CSc1nnc(NC(=O)c2c(F)cccc2F)s1 Fc1cccc(F)c1[*:1] CC(C)(C)NC(=O)CSc1nnc(NC(=O)[*:1])s1
CC(C)(C)NC(=O)CSc1nnc(NC(=O)c2c(F)cccc2F)s1 CC(C)(C)NC(=O)C[*:1] O=C(Nc1nnc(S[*:1])s1)c1c(F)cccc1F
CC(C)(C)NC(=O)CSc1nnc(NC(=O)c2c(F)cccc2F)s1 CC(C)(C)NC(=O)[*:1] O=C(Nc1nnc(SC[*:1])s1)c1c(F)cccc1F
CC(=O)NCCc1ccc([C@H](C)N[C@@H]2COc3ccccc3C2)cc1 CC(=O)NC[*:1] C[C@H](N[C@@H]1COc2ccccc2C1)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc([C@H](C)N[C@@H]2COc3ccccc3C2)cc1 CC(=O)N[*:1] C[C@H](N[C@@H]1COc2ccccc2C1)c1ccc(cc1)CC[*:1]
CC(=O)NCCc1ccc([C@H](C)N[C@@H]2COc3ccccc3C2)cc1 CC(=O)NCC[*:1] C[C@H](N[C@@H]1COc2ccccc2C1)c1ccc(cc1)[*:1]
O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)[*:1]
O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1cccc(Cl)c1 c1csc(c1)[*:1] O=C(NC[C@@H](N1CCc2ccccc21)[*:1])c1cccc(Cl)c1
Cc1noc2ncc(S(=O)(=O)N[C@H](C)c3ccc(Cl)s3)cc12 Clc1ccc(s1)[*:1] Cc1noc2ncc(cc12)S(=O)(=O)N[C@H](C)[*:1]
Cc1cccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 Clc1ccc(cc1)C[*:1] Cc1cccc(c1)[C@@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(c1ccccc12)[*:1]
Cc1cccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)[C@@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(C[*:1])c1ccccc12
Cc1cccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 Cc1cccc(c1)[*:1] N#CC1=C(N)OC2=C([C@@H]1[*:1])S(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccccc12
COCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 Cc1nccn1[*:1] COCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
COCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 COC[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NC(=O)N[C@H](C)C[*:1]
COCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 COCC[C@@H](C)[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NC(=O)N[*:1]
COCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 COCC[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NC(=O)N[C@H](C)[*:1]
O=C(CNC(=O)c1ccccc1Cl)Nc1cccnc1 c1cncc(c1)[*:1] O=C(CNC(=O)c1ccccc1Cl)N[*:1]
O=C(Nc1nc(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cs1)c1ccc[nH]c1=O Clc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)CCC(=O)N1CCN(CC1)[*:1])c1ccc[nH]c1=O
O=C(Nc1nc(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cs1)c1ccc[nH]c1=O O=C(N[*:1])c1ccc[nH]c1=O O=C(CCc1csc(n1)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
O=C(Nc1nc(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cs1)c1ccc[nH]c1=O O=c1[nH]cccc1[*:1] O=C(CCc1csc(n1)NC(=O)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
CCS(=O)(=O)CCNC(=O)Nc1nccs1 CCS(=O)(=O)[*:1] O=C(NCC[*:1])Nc1nccs1
CCS(=O)(=O)CCNC(=O)Nc1nccs1 c1csc(n1)[*:1] CCS(=O)(=O)CCNC(=O)N[*:1]
CCO[C@@H]1CCCN(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)C1 FC(F)[*:1] CCO[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1O[*:1])OC(F)F
CCO[C@@H]1CCCN(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)C1 FC(F)O[*:1] CCO[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1OC(F)F)[*:1]
CCO[C@@H]1CCCN(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)C1 CCO[*:1] O=C(Nc1ccc(cc1OC(F)F)OC(F)F)N1CCC[C@H](C1)[*:1]
CCO[C@@H]1CCCN(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)C1 FC(F)[*:1] CCO[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1OC(F)F)O[*:1]
CCO[C@@H]1CCCN(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)C1 FC(F)O[*:1] CCO[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1[*:1])OC(F)F
Cc1ccccc1CN(C)C(=O)CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1CN(C)C(=O)CNC(=O)[*:1]
Cc1ccccc1CN(C)C(=O)CNC(=O)c1ccccc1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)CNC(=O)c1ccccc1
Cc1ccc([N+](=O)[O-])c(CCl)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)CCl)[*:1]
COCCC(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-] COC[*:1] O=C([O-])[C@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)C[*:1]
COCCC(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-] O=C([O-])[*:1] COCCC(=O)N1[C@H]2CCCC[C@@H]2CC[C@H]1[*:1]
COCCC(=O)N1[C@H]2CCCC[C@@H]2CC[C@@H]1C(=O)[O-] COCC[*:1] O=C([O-])[C@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)[*:1]
CCC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1 CCC(=O)N[*:1] CC1CC[NH+](CC1)CC(=O)Nc1ccc(cc1)[*:1]
O=C(COc1ccccc1F)Nc1cc(C(F)(F)F)ccc1O FC(F)(F)[*:1] O=C(COc1ccccc1F)Nc1cc(ccc1O)[*:1]
O=C(COc1ccccc1F)Nc1cc(C(F)(F)F)ccc1O Fc1ccccc1[*:1] O=C(CO[*:1])Nc1cc(ccc1O)C(F)(F)F
CCc1cnc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)s1 CCc1cnc(s1)[*:1] C[C@@H](c1ccco1)N(C(=O)N[*:1])C1CC1
CCc1cnc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)s1 C1CC1[*:1] CCc1cnc(NC(=O)N([C@@H](C)c2ccco2)[*:1])s1
CCc1cnc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)s1 c1coc(c1)[*:1] CCc1cnc(NC(=O)N(C2CC2)[C@@H](C)[*:1])s1
CCc1cnc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)s1 C[C@@H](c1ccco1)[*:1] CCc1cnc(NC(=O)N(C2CC2)[*:1])s1
O=C(Cc1cc(F)ccc1F)Nc1cccc(-c2noc([O-])n2)c1 [O-]c1nc(no1)[*:1] O=C(Cc1cc(F)ccc1F)Nc1cccc(c1)[*:1]
O=C(Cc1cc(F)ccc1F)Nc1cccc(-c2noc([O-])n2)c1 Fc1ccc(F)c(c1)[*:1] O=C(C[*:1])Nc1cccc(c1)-c1noc([O-])n1
Cn1cnc(S(=O)(=O)N2CCC(Cc3cccnc3)CC2)c1 c1cncc(c1)C[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)[*:1]
Cn1cnc(S(=O)(=O)N2CCC(Cc3cccnc3)CC2)c1 c1cncc(c1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)C[*:1]
Cn1cnc(S(=O)(=O)N2CCC(Cc3cccnc3)CC2)c1 Cn1cnc(c1)[*:1] O=S(=O)(N1CCC(CC1)Cc1cccnc1)[*:1]
CCOc1ccccc1NC(=[NH2+])Nc1nc(C)cc(C)n1 CCO[*:1] Cc1cc(C)nc(n1)NC(=[NH2+])Nc1ccccc1[*:1]
C[C@H](CO)[C@H](C)NC(=O)NC1CCCCC1 C[C@H](CO)[*:1] C[C@H](NC(=O)NC1CCCCC1)[*:1]
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 O=S(=O)(N1CCCCC1)[*:1] CC(C)CN(C(=O)c1cccc(c1)[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 CC(C)C[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCCCC1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCCCC1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CC[C@H](O)[C@H](CC)c1ccc(F)cc1 CC[C@H](O)[*:1] CC[C@H](c1ccc(F)cc1)[*:1]
C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccoc1 FC(F)(F)[*:1] C[C@@H](Nc1ccc(C#N)c(c1)[*:1])c1ccoc1
C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccoc1 c1cc(co1)[*:1] C[C@@H](Nc1ccc(C#N)c(c1)C(F)(F)F)[*:1]
COc1ccc2c(c1)[C@H]([NH2+]Cc1c(F)cccc1OC(F)F)CCCO2 FC(F)[*:1] COc1ccc2OCCC[C@@H]([NH2+]Cc3c(F)cccc3O[*:1])c2c1
COc1ccc2c(c1)[C@H]([NH2+]Cc1c(F)cccc1OC(F)F)CCCO2 FC(F)O[*:1] COc1ccc2OCCC[C@@H]([NH2+]Cc3c(F)cccc3[*:1])c2c1
CN(Cc1ncnn1C)C(=O)c1cn2cccnc2n1 Cn1ncnc1[*:1] CN(C[*:1])C(=O)c1cn2cccnc2n1
C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)[*:1]
C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cnn(C)c1 Brc1ccccc1[*:1] C[C@H]([NH2+]C[C@@H](O)CO[*:1])c1cnn(C)c1
CCNC(=O)COc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 CCNC(=O)CO[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)Nc1ccc(cc1)[*:1]
CCNC(=O)COc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 CCNC(=O)C[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)Nc1ccc(cc1)O[*:1]
CCNC(=O)COc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 CCNC(=O)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)Nc1ccc(cc1)OC[*:1]
CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CC(C)(C)C CC(C)(C)[*:1] CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[*:1]
CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CC(C)(C)C CC(C)(C)C[*:1] CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[*:1]
CC(C)C[C@@H](C)NS(=O)(=O)c1ccsc1C(=O)[O-] CC(C)C[*:1] C[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])[*:1]
CC(C)C[C@@H](C)NS(=O)(=O)c1ccsc1C(=O)[O-] CC(C)C[C@@H](C)[*:1] O=C([O-])c1sccc1S(=O)(=O)N[*:1]
CC(C)C[C@@H](C)NS(=O)(=O)c1ccsc1C(=O)[O-] CC(C)[*:1] C[C@H](C[*:1])NS(=O)(=O)c1ccsc1C(=O)[O-]
CC(C)C[C@@H](C)NS(=O)(=O)c1ccsc1C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](C)NS(=O)(=O)c1ccsc1[*:1]
N#CCN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 NC(=O)[*:1] N#CCN1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
N#CCN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 N#CC[*:1] NC(=O)C1CCN(CC1)C(=O)C1CCN(CC1)[*:1]
CC(C)[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)nc1)c1ccccn1 FC(F)(F)C[*:1] CC(C)[C@H](NC(=O)Nc1ccc(nc1)O[*:1])c1ccccn1
CC(C)[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)nc1)c1ccccn1 FC(F)(F)CO[*:1] CC(C)[C@H](NC(=O)Nc1ccc(nc1)[*:1])c1ccccn1
CC(C)[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)nc1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)Nc1ccc(nc1)OCC(F)(F)F)[*:1]
CC(C)[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)nc1)c1ccccn1 FC(F)(F)[*:1] CC(C)[C@H](NC(=O)Nc1ccc(nc1)OC[*:1])c1ccccn1
CC(C)[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)nc1)c1ccccn1 CC(C)[*:1] O=C(Nc1ccc(nc1)OCC(F)(F)F)N[C@H](c1ccccn1)[*:1]
Cc1sc(C(=O)NCCCC(=O)NC2CC2)cc1N C1CC1[*:1] Cc1sc(cc1N)C(=O)NCCCC(=O)N[*:1]
Cc1sc(C(=O)NCCCC(=O)NC2CC2)cc1N O=C(NC1CC1)[*:1] Cc1sc(cc1N)C(=O)NCCC[*:1]
CSCC[C@@H](C)NC(=O)N1CCN(c2ncccc2C#N)CC1 CSC[*:1] C[C@H](C[*:1])NC(=O)N1CCN(CC1)c1ncccc1C#N
CSCC[C@@H](C)NC(=O)N1CCN(c2ncccc2C#N)CC1 CSCC[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ncccc1C#N)[*:1]
CCSC[C@@H]([NH3+])c1ccc(Cl)c(OC)c1 CCSC[*:1] COc1cc(ccc1Cl)[C@H]([NH3+])[*:1]
CCSC[C@@H]([NH3+])c1ccc(Cl)c(OC)c1 CCS[*:1] COc1cc(ccc1Cl)[C@H]([NH3+])C[*:1]
CCN(CC1CCOCC1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] CCN(CC1CCOCC1)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCN(CC1CCOCC1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 C1CC(CCO1)[*:1] CCN(C[*:1])C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1
CCN(CC1CCOCC1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 CCN(CC1CCOCC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCN(CC1CCOCC1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 C1CC(CCO1)C[*:1] CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[*:1]
O=C1C[C@H](C(=O)[O-])SC([N-]NC(=O)c2cccs2)=N1 c1csc(c1)[*:1] O=C1C[C@@H](SC(=N1)[N-]NC(=O)[*:1])C(=O)[O-]
O=C1C[C@H](C(=O)[O-])SC([N-]NC(=O)c2cccs2)=N1 O=C([O-])[*:1] O=C1C[C@H](SC(=N1)[N-]NC(=O)c1cccs1)[*:1]
CC1=NN(C(=O)c2cccc(Br)c2)[C@@](O)(C(C)C)C1 CC(C)[*:1] CC1C[C@](O)(N(N=1)C(=O)c1cccc(Br)c1)[*:1]
Cc1cc(F)cc(N[C@@H](C#N)c2cccc(C3CC3)c2)c1 C1CC1[*:1] Cc1cc(F)cc(c1)N[C@@H](C#N)c1cccc(c1)[*:1]
C[C@@H]1CCC[C@H](CC(=O)NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)C1 C[C@@H]1CN(CCO1)[*:1] C[C@@H]1CCC[C@H](CC(=O)NCc2cc[nH+]c(c2)[*:1])C1
C[C@@H]1CCC[C@H](CC(=O)NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)C1 C[C@@H]1CCC[C@H](C1)[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)C[*:1]
C[C@@H]1CCC[C@H](CC(=O)NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)C1 C[C@@H]1CCC[C@@H](C1)C[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)[*:1]
CC(C)(CNC(=O)NCc1cccc(Cn2cncn2)c1)c1ccncc1 c1ncn(C[*:1])n1 CC(C)(CNC(=O)NCc1cccc(c1)[*:1])c1ccncc1
CC(C)(CNC(=O)NCc1cccc(Cn2cncn2)c1)c1ccncc1 c1ncn(n1)[*:1] CC(C)(CNC(=O)NCc1cccc(c1)C[*:1])c1ccncc1
CC(C)(CNC(=O)NCc1cccc(Cn2cncn2)c1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)NCc1cccc(c1)Cn1cncn1)[*:1]
CC(C)(CNC(=O)NCc1cccc(Cn2cncn2)c1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NCc1cccc(c1)Cn1cncn1)NC[*:1]
Cc1cc(NC(=O)Cc2ccon2)nc2nc(C(F)(F)F)nn12 FC(F)(F)[*:1] Cc1cc(nc2nc(nn12)[*:1])NC(=O)Cc1ccon1
Cc1cc(NC(=O)Cc2ccon2)nc2nc(C(F)(F)F)nn12 c1cc(no1)[*:1] Cc1cc(nc2nc(nn12)C(F)(F)F)NC(=O)C[*:1]
Cc1cc(NC(=O)Cc2ccon2)nc2nc(C(F)(F)F)nn12 c1cc(C[*:1])no1 Cc1cc(nc2nc(nn12)C(F)(F)F)NC(=O)[*:1]
O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCC[C@H]1Cc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCC[C@H]1C[*:1]
COC(=O)c1nccc(Oc2cc(N(C)C)ccc2N)n1 CN(C)[*:1] COC(=O)c1nccc(n1)Oc1cc(ccc1N)[*:1]
COC(=O)c1nccc(Oc2cc(N(C)C)ccc2N)n1 COC(=O)[*:1] CN(C)c1ccc(N)c(c1)Oc1ccnc(n1)[*:1]
NS(=O)(=O)c1ccc(N2CCSCC2)c(C(=O)[O-])c1 C1CN(CCS1)[*:1] NS(=O)(=O)c1ccc(c(c1)C(=O)[O-])[*:1]
NS(=O)(=O)c1ccc(N2CCSCC2)c(C(=O)[O-])c1 O=C([O-])[*:1] NS(=O)(=O)c1ccc(c(c1)[*:1])N1CCSCC1
NS(=O)(=O)c1ccc(N2CCSCC2)c(C(=O)[O-])c1 NS(=O)(=O)[*:1] O=C([O-])c1cc(ccc1N1CCSCC1)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC=C[*:1])CC1
Cc1noc(C)c1S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1 Cc1noc(C)c1[*:1] O=S(=O)(N1CCN(C/C=C/c2ccccc2)CC1)[*:1]
CC/[NH+]=C(\NCc1ccc(F)c(Cl)c1)NCc1ncc(C)s1 Cc1cnc(C[*:1])s1 CC/[NH+]=C(\NCc1ccc(F)c(Cl)c1)N[*:1]
CC/[NH+]=C(\NCc1ccc(F)c(Cl)c1)NCc1ncc(C)s1 Cc1cnc(s1)[*:1] CC/[NH+]=C(\NCc1ccc(F)c(Cl)c1)NC[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1cc(Br)ccc1C CSC[*:1] CC[C@H](N(C)C(=O)Nc1cc(Br)ccc1C)[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)c([O-])n2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nnc(Cc2ccccc2)c([O-])n1)N[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)c([O-])n2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(c([O-])n1)[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)c([O-])n2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(C[*:1])c([O-])n1
O[C@@H](Cc1cccs1)[C@H]1CN2CCC[C@@H]2CO1 c1csc(c1)[*:1] O[C@@H](C[*:1])[C@H]1CN2CCC[C@@H]2CO1
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])[C@@H](C[*:1])N1C(=O)c2ccccc2C1=O
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O O=[N+]([O-])c1cccc(c1)[*:1] O=C(N[*:1])[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O c1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
NC(=O)[C@@H](N[C@@H]1CCc2c(Br)cccc21)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](N[C@@H]1CCc2c(Br)cccc21)[*:1]
NC(=O)[C@@H](N[C@@H]1CCc2c(Br)cccc21)c1ccccc1 NC(=O)[*:1] Brc1cccc2c1CC[C@H]2N[C@@H](c1ccccc1)[*:1]
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC(O)CC2)s1 CC(C)CC(=O)NC[*:1] O=S(=O)(c1ccc(C[*:1])s1)N1CCC(O)CC1
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC(O)CC2)s1 CC(C)CC(=O)N[*:1] O=S(=O)(c1ccc(CC[*:1])s1)N1CCC(O)CC1
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC(O)CC2)s1 CC(C)C[*:1] O=C(NCCc1ccc(s1)S(=O)(=O)N1CCC(O)CC1)[*:1]
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCC(O)CC2)s1 CC(C)[*:1] O=C(C[*:1])NCCc1ccc(s1)S(=O)(=O)N1CCC(O)CC1
CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CCCC[C@H]1[*:1]
CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 CN(C)C(=O)NCC[*:1] CN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)[*:1]
CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 CN(C)C(=O)NC[*:1] CN(C[*:1])C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1
CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 CN(C)C(=O)N[*:1] CN(CC[*:1])C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1
COc1cc(C)c(S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1C c1coc(c1)[*:1] COc1cc(C)c(cc1C)S(=O)(=O)NCCn1nc(ccc1=O)[*:1]
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCO[C@H]1C COC(=O)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[*:1]
COc1ccc(F)c(N[C@H](C[NH3+])C2CCCCC2)c1 C1CCC(CC1)[*:1] COc1ccc(F)c(c1)N[C@H](C[NH3+])[*:1]
Cc1cccc(Cn2c(=O)c3sccc3n(CC(=O)[O-])c2=O)c1 O=C([O-])[*:1] Cc1cccc(c1)Cn1c(=O)c2sccc2n(C[*:1])c1=O
Cc1cccc(Cn2c(=O)c3sccc3n(CC(=O)[O-])c2=O)c1 Cc1cccc(c1)[*:1] O=C([O-])Cn1c(=O)n(C[*:1])c(=O)c2sccc21
Cc1cccc(Cn2c(=O)c3sccc3n(CC(=O)[O-])c2=O)c1 O=C([O-])C[*:1] Cc1cccc(c1)Cn1c(=O)c2sccc2n(c1=O)[*:1]
Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)N3CCN(c4ccccc4)CC3)c2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCN(CC2)[*:1])c1=O
Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)N3CCN(c4ccccc4)CC3)c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1c(=O)n(c(=O)c2oc3ccccc3c21)[*:1])N1CCN(CC1)c1ccccc1
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(Cl)cc1)CC2)c1ccccn1 Clc1ccc(cc1)C[*:1] O=C(Nc1nc2CC[NH+](Cc2s1)[*:1])c1ccccn1
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(Cl)cc1)CC2)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1nc2CC[NH+](Cc3ccc(Cl)cc3)Cc2s1)[*:1]
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(Cl)cc1)CC2)c1ccccn1 Clc1ccc(cc1)[*:1] O=C(Nc1nc2CC[NH+](Cc2s1)C[*:1])c1ccccn1
O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)N1CCN(CC1)[*:1]
O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(Cl)cc1
C#CCOC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 c1ccc(cc1)[*:1] C#CCOC(=O)[C@@H](NC(=O)c1ccc(cc1)OC)[*:1]
C#CCOC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 COc1ccc(cc1)[*:1] C#CCOC(=O)[C@@H](NC(=O)[*:1])c1ccccc1
C#CCOC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 C#CCOC(=O)[*:1] COc1ccc(cc1)C(=O)N[C@@H](c1ccccc1)[*:1]
C#CCOC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 C#CC[*:1] COc1ccc(cc1)C(=O)N[C@H](C(=O)O[*:1])c1ccccc1
CCCN1CC(=O)N(CC(=O)CC)CC1=O CCC[*:1] CCC(=O)CN1CC(=O)N(CC1=O)[*:1]
CCCN1CC(=O)N(CC(=O)CC)CC1=O CCC(=O)[*:1] CCCN1CC(=O)N(CC1=O)C[*:1]
CCCN1CC(=O)N(CC(=O)CC)CC1=O CCC(=O)C[*:1] CCCN1CC(=O)N(CC1=O)[*:1]
O=C([O-])[C@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)c1ccn[nH]1 O=C([O-])[*:1] O=C(c1ccn[nH]1)N1[C@H]2CCCC[C@@H]2CC[C@@H]1[*:1]
O=C([O-])[C@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)c1ccn[nH]1 c1cc([nH]n1)[*:1] O=C([O-])[C@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)[*:1]
C/[NH+]=C(\NCc1sc(C)nc1C)NC[C@@H]1CCO[C@H]1c1ccccc1 Cc1nc(C)c(C[*:1])s1 C/[NH+]=C(/NC[C@@H]1CCO[C@H]1c1ccccc1)N[*:1]
C/[NH+]=C(\NCc1sc(C)nc1C)NC[C@@H]1CCO[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C/[NH+]=C(\NCc1sc(C)nc1C)NC[C@@H]1CCO[C@@H]1[*:1]
C/[NH+]=C(\NCc1sc(C)nc1C)NC[C@@H]1CCO[C@H]1c1ccccc1 Cc1nc(C)c(s1)[*:1] C/[NH+]=C(/NC[C@@H]1CCO[C@H]1c1ccccc1)NC[*:1]
CCC[C@H](CNC(=O)C[n+]1ccccc1C)c1ccc(Cl)cc1Cl Cc1cccc[n+]1C[*:1] CCC[C@H](CNC(=O)[*:1])c1ccc(Cl)cc1Cl
CCC[C@H](CNC(=O)C[n+]1ccccc1C)c1ccc(Cl)cc1Cl CCC[*:1] Cc1cccc[n+]1CC(=O)NC[C@H](c1ccc(Cl)cc1Cl)[*:1]
CCC[C@H](CNC(=O)C[n+]1ccccc1C)c1ccc(Cl)cc1Cl Cc1cccc[n+]1[*:1] CCC[C@H](CNC(=O)C[*:1])c1ccc(Cl)cc1Cl
CCC[C@H](CNC(=O)C[n+]1ccccc1C)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] CCC[C@H](CNC(=O)C[n+]1ccccc1C)[*:1]
CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCS2)c(Cl)c1 CC(=O)N[*:1] O=C(Nc1ccc(cc1Cl)[*:1])[C@@H]1CCCS1
COC(=O)NC(=O)c1c(NC(=O)Cc2ccc(C)cc2)sc2c1CC[C@H](C)C2 Cc1ccc(cc1)C[*:1] COC(=O)NC(=O)c1c(NC(=O)[*:1])sc2C[C@@H](C)CCc21
COC(=O)NC(=O)c1c(NC(=O)Cc2ccc(C)cc2)sc2c1CC[C@H](C)C2 Cc1ccc(cc1)[*:1] COC(=O)NC(=O)c1c(NC(=O)C[*:1])sc2C[C@@H](C)CCc21
COC(=O)NC(=O)c1c(NC(=O)Cc2ccc(C)cc2)sc2c1CC[C@H](C)C2 COC(=O)NC(=O)[*:1] Cc1ccc(cc1)CC(=O)Nc1sc2C[C@@H](C)CCc2c1[*:1]
Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1NC(=O)[C@H]1CC=CC[C@@H]1[*:1])C(=O)[O-]
Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])[*:1]
CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 O=[N+]([O-])[*:1] CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(C(=O)[C@H]12)c1cc(ccc1C)[*:1]
CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 Cc1ccc(cc1[*:1])[N+](=O)[O-] CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(C(=O)[C@H]12)[*:1]
CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 CC(=O)[*:1] Cc1ccc(cc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)([C@@H]2C1=O)[*:1])[N+](=O)[O-]
CCC(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 CCC(CC)C(=O)N[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCCc2ccccc21
CCC(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 CCC(CC)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCc2ccccc21)[*:1]
CC(C)C[C@@H](C(=O)OCc1cccnc1)N1CCCCC1=O c1cncc(c1)[*:1] CC(C)C[C@@H](C(=O)OC[*:1])N1CCCCC1=O
CC(C)C[C@@H](C(=O)OCc1cccnc1)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@@H](C(=O)OCc1cccnc1)[*:1]
CC(C)C[C@@H](C(=O)OCc1cccnc1)N1CCCCC1=O CC(C)C[*:1] O=C(OCc1cccnc1)[C@@H](N1CCCCC1=O)[*:1]
CC(C)C[C@@H](C(=O)OCc1cccnc1)N1CCCCC1=O CC(C)[*:1] O=C(OCc1cccnc1)[C@H](C[*:1])N1CCCCC1=O
CC(C)C[C@@H](C(=O)OCc1cccnc1)N1CCCCC1=O c1cncc(c1)C[*:1] CC(C)C[C@@H](C(=O)O[*:1])N1CCCCC1=O
COC(=O)C(C)(C)Cn1ccc([C@H](C)O)c1 C[C@H](O)[*:1] COC(=O)C(C)(C)Cn1ccc(c1)[*:1]
COC(=O)C(C)(C)Cn1ccc([C@H](C)O)c1 COC(=O)[*:1] C[C@H](O)c1ccn(c1)CC(C)(C)[*:1]
Cn1cnnc1C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 Cn1cnnc1[*:1] Clc1ccc(cc1)-c1ccc(C[NH+]2CCC(CC2)[*:1])s1
Cn1cnnc1C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 Clc1ccc(cc1)[*:1] Cn1cnnc1C1CC[NH+](CC1)Cc1ccc(s1)[*:1]
Cc1ccc2c(c1)[C@@H](Cc1nc3ccccc3c(=O)n1Cc1ccccc1)C(=O)N2C c1ccc(cc1)C[*:1] Cc1ccc2c(c1)[C@@H](Cc1nc3ccccc3c(=O)n1[*:1])C(=O)N2C
Cc1ccc2c(c1)[C@@H](Cc1nc3ccccc3c(=O)n1Cc1ccccc1)C(=O)N2C c1ccc(cc1)[*:1] Cc1ccc2c(c1)[C@@H](Cc1nc3ccccc3c(=O)n1C[*:1])C(=O)N2C
Cc1ccc(-n2nnnc2SCC(=O)NCCc2ccccc2)cc1C c1ccc(cc1)CC[*:1] Cc1ccc(cc1C)-n1nnnc1SCC(=O)N[*:1]
Cc1ccc(-n2nnnc2SCC(=O)NCCc2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1nnnc1SCC(=O)NCC[*:1]
Cc1ccc(-n2nnnc2SCC(=O)NCCc2ccccc2)cc1C Cc1ccc(cc1C)[*:1] O=C(CSc1nnnn1[*:1])NCCc1ccccc1
Cc1ccc(-n2nnnc2SCC(=O)NCCc2ccccc2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)-n1nnnc1SCC(=O)NC[*:1]
COc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)sc2c1Cl c1cc2OCOc2cc1[*:1] COc1ccc2c(Cl)c(sc2c1Cl)C(=O)OCC(=O)N[*:1]
CCCCn1c([S@](=O)[C@@H](C)C(=O)Nc2cccc(C)c2C)n[nH]c1=O CCC[*:1] Cc1cccc(NC(=O)[C@H](C)[S@@](=O)c2n[nH]c(=O)n2C[*:1])c1C
CCCCn1c([S@](=O)[C@@H](C)C(=O)Nc2cccc(C)c2C)n[nH]c1=O CCCC[*:1] Cc1cccc(NC(=O)[C@H](C)[S@@](=O)c2n[nH]c(=O)n2[*:1])c1C
CCCCn1c([S@](=O)[C@@H](C)C(=O)Nc2cccc(C)c2C)n[nH]c1=O Cc1cccc(c1C)[*:1] CCCCn1c(n[nH]c1=O)[S@](=O)[C@@H](C)C(=O)N[*:1]
CC(=O)N(C)c1ccccc1NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(=O)N(C)c1ccccc1NC(=O)[C@@H](C)n1nnc(n1)[*:1]
CC(=O)N(C)c1ccccc1NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 CC(=O)N(C)[*:1] C[C@H](C(=O)Nc1ccccc1[*:1])n1nnc(n1)-c1ccccc1
CCC(=O)Nc1nc2ccc(CC(=O)N3CCCCC3)cc2s1 CCC(=O)N[*:1] O=C(Cc1ccc2nc(sc2c1)[*:1])N1CCCCC1
CCOc1cc(C)ccc1NC(=O)c1ccc(SC)nc1 CCO[*:1] CSc1ccc(cn1)C(=O)Nc1ccc(C)cc1[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc([N+](=O)[O-])cc1)N(CCCn1ccnc1)C3=O c1cn(cn1)CCC[*:1] Cc1cc2oc3C(=O)N([C@@H](c4ccc(cc4)[N+](=O)[O-])c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc([N+](=O)[O-])cc1)N(CCCn1ccnc1)C3=O O=[N+]([O-])[*:1] Cc1cc2oc3C(=O)N(CCCn4ccnc4)[C@@H](c4ccc(cc4)[*:1])c3c(=O)c2cc1C
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc([N+](=O)[O-])cc1)N(CCCn1ccnc1)C3=O c1cn(cn1)CC[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@@H](c4ccc(cc4)[N+](=O)[O-])c3c(=O)c2cc1C
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc([N+](=O)[O-])cc1)N(CCCn1ccnc1)C3=O c1cn(cn1)C[*:1] Cc1cc2oc3C(=O)N(CC[*:1])[C@@H](c4ccc(cc4)[N+](=O)[O-])c3c(=O)c2cc1C
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc([N+](=O)[O-])cc1)N(CCCn1ccnc1)C3=O O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc2oc3C(=O)N(CCCn4ccnc4)[C@@H](c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc([N+](=O)[O-])cc1)N(CCCn1ccnc1)C3=O c1cn(cn1)[*:1] Cc1cc2oc3C(=O)N(CCC[*:1])[C@@H](c4ccc(cc4)[N+](=O)[O-])c3c(=O)c2cc1C
Cn1ccnc1[C@H]1[C@@H](C(=O)[O-])CCC(=O)N1CCNc1ncccn1 c1cnc(nc1)NC[*:1] Cn1ccnc1[C@H]1[C@H](CCC(=O)N1C[*:1])C(=O)[O-]
Cn1ccnc1[C@H]1[C@@H](C(=O)[O-])CCC(=O)N1CCNc1ncccn1 c1cnc(nc1)[*:1] Cn1ccnc1[C@H]1[C@H](CCC(=O)N1CCN[*:1])C(=O)[O-]
Cn1ccnc1[C@H]1[C@@H](C(=O)[O-])CCC(=O)N1CCNc1ncccn1 c1cnc(nc1)N[*:1] Cn1ccnc1[C@H]1[C@H](CCC(=O)N1CC[*:1])C(=O)[O-]
Cn1ccnc1[C@H]1[C@@H](C(=O)[O-])CCC(=O)N1CCNc1ncccn1 O=C([O-])[*:1] Cn1ccnc1[C@H]1[C@@H](CCC(=O)N1CCNc1ncccn1)[*:1]
Cn1ccnc1[C@H]1[C@@H](C(=O)[O-])CCC(=O)N1CCNc1ncccn1 Cn1ccnc1[*:1] O=C([O-])[C@H]1CCC(=O)N(CCNc2ncccn2)[C@H]1[*:1]
CN1CCO[C@H](C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)C1 NC(=O)[*:1] CN1CCO[C@@H](C1)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
COCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 COCC[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCOCC1)c1ccccc1O[*:1]
COCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] COCCOc1ccccc1C(=O)Nc1ccc(cc1)[*:1]
COCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 COC[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCOCC1)c1ccccc1OC[*:1]
COCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 COCCO[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCOCC1)c1ccccc1[*:1]
CC[C@@H]([NH3+])Cc1cc(F)c(OCc2ncnn2C)c(F)c1 Cn1ncnc1C[*:1] CC[C@@H]([NH3+])Cc1cc(F)c(O[*:1])c(F)c1
CC[C@@H]([NH3+])Cc1cc(F)c(OCc2ncnn2C)c(F)c1 Cn1ncnc1[*:1] CC[C@@H]([NH3+])Cc1cc(F)c(OC[*:1])c(F)c1
C=C(C)COc1cc(/C=C/c2cc(C(=O)[O-])ncn2)ccc1OC C=C(C)C[*:1] COc1ccc(/C=C/c2cc(ncn2)C(=O)[O-])cc1O[*:1]
C=C(C)COc1cc(/C=C/c2cc(C(=O)[O-])ncn2)ccc1OC C=C(C)CO[*:1] COc1ccc(/C=C/c2cc(ncn2)C(=O)[O-])cc1[*:1]
C=C(C)COc1cc(/C=C/c2cc(C(=O)[O-])ncn2)ccc1OC C=C(C)[*:1] COc1ccc(/C=C/c2cc(ncn2)C(=O)[O-])cc1OC[*:1]
C=C(C)COc1cc(/C=C/c2cc(C(=O)[O-])ncn2)ccc1OC O=C([O-])[*:1] C=C(C)COc1cc(/C=C/c2cc(ncn2)[*:1])ccc1OC
CC(C)(O)CCN1Cc2ccc(N)cc2C1=O CC(C)(O)C[*:1] Nc1ccc2CN(C[*:1])C(=O)c2c1
CC(C)(O)CCN1Cc2ccc(N)cc2C1=O CC(C)(O)[*:1] Nc1ccc2CN(CC[*:1])C(=O)c2c1
O=C1CSc2ccc(NC(=O)C3CCCC3)cc2N1 C1CCC(C1)[*:1] O=C1CSc2ccc(cc2N1)NC(=O)[*:1]
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)C(C)(C)C)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)-c1n[nH]cc1/C=C(/C#N)C(=O)[*:1]
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)C(C)(C)C)cc1OC CC(C)(C)C(=O)[*:1] COc1ccc(cc1OC)-c1n[nH]cc1C=C(C#N)[*:1]
CC(C)(C)OC(=O)N1CCC(OC(=O)C2CC=CC2)CC1 CC(C)(C)[*:1] O=C(OC1CCN(CC1)C(=O)O[*:1])C1CC=CC1
Cc1cccc([C@@H](CC(=O)Nc2ccc(F)cc2Cl)n2cccc2)c1 c1ccn(c1)[*:1] Cc1cccc(c1)[C@@H](CC(=O)Nc1ccc(F)cc1Cl)[*:1]
Cc1cccc([C@@H](CC(=O)Nc2ccc(F)cc2Cl)n2cccc2)c1 Cc1cccc(c1)[*:1] O=C(C[C@@H](n1cccc1)[*:1])Nc1ccc(F)cc1Cl
Cc1cccc([C@@H](CC(=O)Nc2ccc(F)cc2Cl)n2cccc2)c1 Fc1ccc(c(Cl)c1)[*:1] Cc1cccc(c1)[C@@H](CC(=O)N[*:1])n1cccc1
O=C(CCn1nc(-c2ccccc2)ccc1=O)NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(CCn1nc(ccc1=O)[*:1])NC[C@@H]1CCCO1
Cc1ccc(Cn2nc(C)c(C(=O)NC[C@H]3COC4(CCCCCC4)O3)c2Cl)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)NC[C@H]1COC2(CCCCCC2)O1
Cc1ccc(Cn2nc(C)c(C(=O)NC[C@H]3COC4(CCCCCC4)O3)c2Cl)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)NC[C@H]1COC2(CCCCCC2)O1)[*:1]
COC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 COC(=O)[*:1] COc1ccc(cc1F)[C@H](C)[NH2+][C@H](C)[*:1]
CCCC(=O)N1CCC(C(=O)O[C@@H](c2ccc(F)c(F)c2)C(C)C)CC1 Fc1ccc(cc1F)[*:1] CCCC(=O)N1CCC(CC1)C(=O)O[C@@H](C(C)C)[*:1]
CCCC(=O)N1CCC(C(=O)O[C@@H](c2ccc(F)c(F)c2)C(C)C)CC1 CCC[*:1] CC(C)[C@@H](OC(=O)C1CCN(CC1)C(=O)[*:1])c1ccc(F)c(F)c1
CCCC(=O)N1CCC(C(=O)O[C@@H](c2ccc(F)c(F)c2)C(C)C)CC1 CC(C)[*:1] CCCC(=O)N1CCC(CC1)C(=O)O[C@@H](c1ccc(F)c(F)c1)[*:1]
Cc1cc(-c2cnc(N3CCC(NC(=O)[C@@H]4CCCO4)CC3)nc2C2CC2)on1 O=C(N[*:1])[C@@H]1CCCO1 Cc1cc(on1)-c1cnc(nc1C1CC1)N1CCC(CC1)[*:1]
Cc1cc(-c2cnc(N3CCC(NC(=O)[C@@H]4CCCO4)CC3)nc2C2CC2)on1 Cc1cc(on1)[*:1] O=C(NC1CCN(CC1)c1ncc(c(n1)C1CC1)[*:1])[C@@H]1CCCO1
Cc1cc(-c2cnc(N3CCC(NC(=O)[C@@H]4CCCO4)CC3)nc2C2CC2)on1 C1CC1[*:1] Cc1cc(on1)-c1cnc(nc1[*:1])N1CCC(CC1)NC(=O)[C@@H]1CCCO1
COc1ccc(/C(C)=N/NC(=O)c2ccccc2O)cc1 Oc1ccccc1[*:1] COc1ccc(cc1)/C(C)=N/NC(=O)[*:1]
CC(=O)Nc1ccc(I)c(C)c1C CC(=O)N[*:1] Cc1c(I)ccc(c1C)[*:1]
Cc1[nH+]ccn1CCNC(=O)c1cc(-c2ccccn2)[nH]n1 c1ccc(nc1)[*:1] Cc1[nH+]ccn1CCNC(=O)c1cc([nH]n1)[*:1]
COCCNC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2C)c1 COCCNC(=O)[*:1] Cc1ccccc1C(=O)Nc1cc(ccc1Cl)[*:1]
COCCNC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2C)c1 COC[*:1] Cc1ccccc1C(=O)Nc1cc(ccc1Cl)C(=O)NC[*:1]
COCCNC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2C)c1 Cc1ccccc1[*:1] COCCNC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
COCCNC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2C)c1 COCC[*:1] Cc1ccccc1C(=O)Nc1cc(ccc1Cl)C(=O)N[*:1]
C[C@@H](C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C)n1nnc2ccccc21 c1ccc2c(c1)nnn2[*:1] C[C@@H](C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C)[*:1]
Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] Cc1cc(nn1C[*:1])C(=O)N1CCOCC1
Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)NC(C)(C)C CC(C)(C)[*:1] Cc1cc(nn1CC(=O)N[*:1])C(=O)N1CCOCC1
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)/C=C/c1cccc(c1)[*:1]
CCOCc1ccccc1NC(=O)NCCc1cc(Br)ccc1F CCOC[*:1] O=C(NCCc1cc(Br)ccc1F)Nc1ccccc1[*:1]
CCOCc1ccccc1NC(=O)NCCc1cc(Br)ccc1F CCO[*:1] O=C(NCCc1cc(Br)ccc1F)Nc1ccccc1C[*:1]
CCOCc1ccccc1NC(=O)NCCc1cc(Br)ccc1F Fc1ccc(Br)cc1[*:1] CCOCc1ccccc1NC(=O)NCC[*:1]
CNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccc(C)c(C)c3)c2)C1 Cc1ccc(cc1C)[*:1] CNC(=O)N1CCC[C@H](C1)c1cccc(c1)C(=O)NC[*:1]
CNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccc(C)c(C)c3)c2)C1 Cc1ccc(cc1C)C[*:1] CNC(=O)N1CCC[C@H](C1)c1cccc(c1)C(=O)N[*:1]
O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 c1cc2OCOc2cc1C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1cc(ncn1)-n1cccn1
O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1cc(ncn1)-n1cccn1
O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 c1cnn(c1)[*:1] O=C(NCc1ccc2OCOc2c1)[C@@H]1CCCN(C1)c1cc(ncn1)[*:1]
Cc1noc(C)c1CC(=O)N1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 Cc1noc(C)c1[*:1] O=C(Nc1ccnn1C1CCN(CC1)C(=O)C[*:1])[C@@H]1CCOC1
Cc1noc(C)c1CC(=O)N1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 Cc1noc(C)c1C[*:1] O=C(Nc1ccnn1C1CCN(CC1)C(=O)[*:1])[C@@H]1CCOC1
Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c2ccccc21 Fc1ccccc1[*:1] Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2[*:1])c2ccccc21
N#C[C@@H](C(=O)CCNC(=O)/C=C/c1ccco1)c1ccccn1 C(=C[*:1])c1ccco1 N#C[C@@H](C(=O)CCNC(=O)[*:1])c1ccccn1
N#C[C@@H](C(=O)CCNC(=O)/C=C/c1ccco1)c1ccccn1 c1coc(c1)[*:1] N#C[C@@H](C(=O)CCNC(=O)C=C[*:1])c1ccccn1
N#C[C@@H](C(=O)CCNC(=O)/C=C/c1ccco1)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@@H](C(=O)CCNC(=O)/C=C/c1ccco1)[*:1]
C[NH+](C)[C@H](CNC(=O)CCC(F)(F)F)c1cccc(F)c1 FC(F)(F)CC[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])c1cccc(F)c1
C[NH+](C)[C@H](CNC(=O)CCC(F)(F)F)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)CCC(F)(F)F)[*:1]
C[NH+](C)[C@H](CNC(=O)CCC(F)(F)F)c1cccc(F)c1 FC(F)(F)C[*:1] C[NH+](C)[C@H](CNC(=O)C[*:1])c1cccc(F)c1
C[NH+](C)[C@H](CNC(=O)CCC(F)(F)F)c1cccc(F)c1 FC(F)(F)[*:1] C[NH+](C)[C@H](CNC(=O)CC[*:1])c1cccc(F)c1
c1ccc(COC2CCN(c3cnccn3)CC2)cc1 c1ccc(cc1)[*:1] c1cnc(cn1)N1CCC(CC1)OC[*:1]
c1ccc(COC2CCN(c3cnccn3)CC2)cc1 c1cnc(cn1)[*:1] c1ccc(cc1)COC1CCN(CC1)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(C)nn(Cc4ccc(C)cc4)c3s2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(NC(=O)c2cc3c(C)nn(Cc4ccc(C)cc4)c3s2)C1=O)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(C)nn(Cc4ccc(C)cc4)c3s2)C1=O Cc1ccc(cc1)C[*:1] CC[C@@]1(NC(=O)N(NC(=O)c2cc3c(C)nn(c3s2)[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(C)nn(Cc4ccc(C)cc4)c3s2)C1=O Cc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(NC(=O)c2cc3c(C)nn(C[*:1])c3s2)C1=O)c1ccccc1
O=C1COc2ccc(C(=O)CNC(=O)NCc3cccs3)cc2N1 c1csc(c1)C[*:1] O=C1COc2ccc(cc2N1)C(=O)CNC(=O)N[*:1]
O=C1COc2ccc(C(=O)CNC(=O)NCc3cccs3)cc2N1 c1csc(c1)[*:1] O=C1COc2ccc(cc2N1)C(=O)CNC(=O)NC[*:1]
C[C@@H]1CN(C(=O)CCSc2ccccn2)CC[C@@H]1c1ccccc1 c1ccc(nc1)SC[*:1] C[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)C[*:1]
C[C@@H]1CN(C(=O)CCSc2ccccn2)CC[C@@H]1c1ccccc1 c1ccc(nc1)S[*:1] C[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)CC[*:1]
C[C@@H]1CN(C(=O)CCSc2ccccn2)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CN(CC[C@H]1[*:1])C(=O)CCSc1ccccn1
C[C@@H]1CN(C(=O)CCSc2ccccn2)CC[C@@H]1c1ccccc1 c1ccc(nc1)[*:1] C[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)CCS[*:1]
CN(C(=O)c1cccc(NC(=O)NCC(=O)N2CCCC2)c1)c1ccccc1 O=C(N1CCCC1)[*:1] CN(C(=O)c1cccc(c1)NC(=O)NC[*:1])c1ccccc1
CN(C(=O)c1cccc(NC(=O)NCC(=O)N2CCCC2)c1)c1ccccc1 O=C(C[*:1])N1CCCC1 CN(C(=O)c1cccc(c1)NC(=O)N[*:1])c1ccccc1
CN(C(=O)c1cccc(NC(=O)NCC(=O)N2CCCC2)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1cccc(c1)NC(=O)NCC(=O)N1CCCC1)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)cc1 Oc1ccc(cc1)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)C[*:1]
Cc1nc2c(-c3ccccc3)cnn2c(NC(C)C)c1C CC(C)N[*:1] Cc1nc2c(cnn2c(c1C)[*:1])-c1ccccc1
Cc1nc2c(-c3ccccc3)cnn2c(NC(C)C)c1C c1ccc(cc1)[*:1] Cc1nc2c(cnn2c(NC(C)C)c1C)[*:1]
Cc1nc2c(-c3ccccc3)cnn2c(NC(C)C)c1C CC(C)[*:1] Cc1nc2c(cnn2c(N[*:1])c1C)-c1ccccc1
COC(=O)[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)CC(C)C CC(C)[*:1] COC(=O)[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)C[*:1]
COC(=O)[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)CC(C)C CC(C)C[*:1] COC(=O)[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)[*:1]
COC(=O)[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)CC(C)C COC(=O)[*:1] CC(C)C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)[*:1]
N#Cc1ccccc1C(=O)OCCC#Cc1ccccc1 c1ccc(cc1)[*:1] N#Cc1ccccc1C(=O)OCCC#C[*:1]
CCN(CC)S(=O)(=O)CCNC(=O)N[C@H]1CCCc2ccc(F)cc21 CCN(CC)S(=O)(=O)[*:1] O=C(NCC[*:1])N[C@H]1CCCc2ccc(F)cc21
CC(=O)Nc1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)cc1 CC(=O)N[*:1] Clc1ccccc1[C@@H]1CN(CCO1)Cc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)cc1 Clc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)CN1CCO[C@H](C1)[*:1]
C[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)c1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)[*:1]
CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(cc(c1)[*:1])C(F)(F)F
CCCCc1[nH]nc2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 CCC[*:1] N#CC1=C(N)Oc2n[nH]c(C[*:1])c2[C@@H]1c1ccc(Cl)cc1Cl
CCCCc1[nH]nc2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 CCCC[*:1] N#CC1=C(N)Oc2n[nH]c(c2[C@@H]1c1ccc(Cl)cc1Cl)[*:1]
CCCCc1[nH]nc2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 Clc1ccc(c(Cl)c1)[*:1] CCCCc1[nH]nc2OC(N)=C(C#N)[C@@H](c21)[*:1]
Cc1cccc(C)c1-n1nnnc1C[NH2+]CC1CC[NH+](CCO)CC1 OCC[*:1] Cc1cccc(C)c1-n1nnnc1C[NH2+]CC1CC[NH+](CC1)[*:1]
Cc1cccc(C)c1-n1nnnc1C[NH2+]CC1CC[NH+](CCO)CC1 Cc1cccc(C)c1[*:1] OCC[NH+]1CCC(CC1)C[NH2+]Cc1nnnn1[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@H](C)Sc2ccccc2)c1 c1ccc(cc1)S[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)[C@H](C)[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@H](C)Sc2ccccc2)c1 CC(=O)N(C)[*:1] C[C@H](Sc1ccccc1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@H](C)Sc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)[C@H](C)S[*:1]
CC(C)(C)C(=O)NCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)NCc1ncc(o1)[*:1]
CC(C)(C)C(=O)NCc1ncc(-c2ccccc2)o1 CC(C)(C)[*:1] O=C(NCc1ncc(o1)-c1ccccc1)[*:1]
CC1CCN(C(=O)c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)CC1 Clc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)c1cccc(c1)NC(=O)N[*:1]
CC[C@H](CC[NH3+])N1CCOCC1 [NH3+]CC[*:1] CC[C@H](N1CCOCC1)[*:1]
CCN(CC(C)(C)O)C(=O)Cc1ccc(OC)c(F)c1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)Cc1ccc(OC)c(F)c1
CCN(CC(C)(C)O)C(=O)Cc1ccc(OC)c(F)c1 CC(C)(O)C[*:1] CCN(C(=O)Cc1ccc(OC)c(F)c1)[*:1]
Cc1cc(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)no1 Cc1cc(no1)[*:1] C[C@@](NC(=O)[*:1])(C(=O)[O-])C(F)(F)F
Cc1cc(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)no1 FC(F)(F)[*:1] Cc1cc(no1)C(=O)N[C@](C)(C(=O)[O-])[*:1]
Cc1cc(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)no1 O=C([O-])[*:1] Cc1cc(no1)C(=O)N[C@](C)(C(F)(F)F)[*:1]
Cc1cc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc(C)c1Cl O=S(=O)(N1CCOCC1)[*:1] Cc1cc(cc(C)c1Cl)OC(=O)c1cc(ccc1F)[*:1]
Cc1cc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] O=C(O[*:1])c1cc(ccc1F)S(=O)(=O)N1CCOCC1
CCC[C@H](C(=O)Nc1ccc(OC)nc1)c1ccccc1 CCC[*:1] COc1ccc(cn1)NC(=O)[C@H](c1ccccc1)[*:1]
CCC[C@H](C(=O)Nc1ccc(OC)nc1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](C(=O)Nc1ccc(nc1)OC)[*:1]
CC(=O)NCc1cc2n(n1)CCN(Cc1cccc(Cl)c1Cl)C2 CC(=O)N[*:1] Clc1cccc(CN2CCn3nc(cc3C2)C[*:1])c1Cl
CC(=O)NCc1cc2n(n1)CCN(Cc1cccc(Cl)c1Cl)C2 CC(=O)NC[*:1] Clc1cccc(CN2CCn3nc(cc3C2)[*:1])c1Cl
CCOc1ccccc1-c1ccnc2nc(N3CCCCC3)[nH]c(=O)c12 C1CCN(CC1)[*:1] CCOc1ccccc1-c1ccnc2nc([nH]c(=O)c12)[*:1]
CCOc1ccccc1-c1ccnc2nc(N3CCCCC3)[nH]c(=O)c12 CCO[*:1] O=c1[nH]c(nc2nccc(-c3ccccc3[*:1])c12)N1CCCCC1
CC(C)(C)[C@H]1CCC(=O)[C@@H]([C@@]2(O)C(=O)Nc3ccc(Br)cc32)C1 CC(C)(C)[*:1] O=C1CC[C@@H](C[C@@H]1[C@@]1(O)C(=O)Nc2ccc(Br)cc21)[*:1]
CC[C@H](C)N(Cc1ccccc1)C(=O)Cn1cnc2c(oc3ccccc32)c1=O c1ccc(cc1)[*:1] CC[C@H](C)N(C[*:1])C(=O)Cn1cnc2c(oc3ccccc32)c1=O
CC[C@H](C)N(Cc1ccccc1)C(=O)Cn1cnc2c(oc3ccccc32)c1=O c1ccc(cc1)C[*:1] CC[C@H](C)N(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)[*:1]
CCC[C@](C)(CO)NC(=O)NCc1cc[nH]n1 CCC[*:1] C[C@](CO)(NC(=O)NCc1cc[nH]n1)[*:1]
CCC[C@](C)(CO)NC(=O)NCc1cc[nH]n1 c1cc(n[nH]1)[*:1] CCC[C@](C)(CO)NC(=O)NC[*:1]
CC1(C)CN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)CCO1 Fc1ccc(cc1)[*:1] CC1(C)CN(CCO1)C(=O)CCCc1nc(no1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)CSc2ccccc2Cl)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)CSc1ccccc1Cl)[*:1]
CCOC(=O)C1(C)CCN(C(=O)CSc2ccccc2Cl)CC1 Clc1ccccc1[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)CS[*:1]
CCc1nc([C@@H](C)OC)nc(Cl)c1I CO[C@H](C)[*:1] CCc1nc(nc(Cl)c1I)[*:1]
O=[N+]([O-])c1ccc2c(c1)=[NH+][C@@H](CS[C@H]1[NH+]=c3ccc(Br)cc3=[NH+]1)[NH+]=2 O=[N+]([O-])[*:1] Brc1ccc2=[NH+][C@@H]([NH+]=c2c1)SC[C@H]1[NH+]=c2ccc(cc2=[NH+]1)[*:1]
CCOc1ccc([C@]2(C)NC(=O)NC2=O)cc1 CCO[*:1] C[C@]1(NC(=O)NC1=O)c1ccc(cc1)[*:1]
C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)[*:1]
C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)c1ccccc1 Clc1ncccc1[*:1] C[C@@H](CC(=O)N[*:1])[NH2+][C@@H](C)c1ccccc1
Cc1ccc(-c2ncco2)cc1NC(=O)/C=C/C(C)(C)C c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)/C=C/C(C)(C)C)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)/C=C/C(C)(C)C CC(C)(C)C=C[*:1] Cc1ccc(cc1NC(=O)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)/C=C/C(C)(C)C CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)C=C[*:1])-c1ncco1
OCc1cc2ccccc2[nH+]c1N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] OCc1cc2ccccc2[nH+]c1N1CC[C@@H](C1)N[*:1]
OCc1cc2ccccc2[nH+]c1N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] OCc1cc2ccccc2[nH+]c1N1CC[C@H](C1)[*:1]
COC(=O)C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 COC(=O)C[*:1] N#Cc1ccc(cc1)NC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
COC(=O)C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)C[C@@H](NC(=O)Nc1ccc(C#N)cc1)[*:1]
COC(=O)C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 N#Cc1ccc(cc1)[*:1] COC(=O)C[C@@H](NC(=O)N[*:1])c1ccc(Cl)cc1
COC(=O)C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 COC(=O)[*:1] N#Cc1ccc(cc1)NC(=O)N[C@H](C[*:1])c1ccc(Cl)cc1
N#Cc1csc(CNc2ccc(Cn3cncn3)cc2)c1 c1ncn(n1)[*:1] N#Cc1csc(c1)CNc1ccc(cc1)C[*:1]
N#Cc1csc(CNc2ccc(Cn3cncn3)cc2)c1 N#Cc1csc(c1)[*:1] c1ncn(Cc2ccc(cc2)NC[*:1])n1
N#Cc1csc(CNc2ccc(Cn3cncn3)cc2)c1 c1ncn(C[*:1])n1 N#Cc1csc(c1)CNc1ccc(cc1)[*:1]
COc1ccc(-n2nnnc2S[C@H](C)C(N)=O)cc1 C[C@H](C(N)=O)[*:1] COc1ccc(cc1)-n1nnnc1S[*:1]
COc1ccc(-n2nnnc2S[C@H](C)C(N)=O)cc1 C[C@@H](S[*:1])C(N)=O COc1ccc(cc1)-n1nnnc1[*:1]
COc1ccc(-n2nnnc2S[C@H](C)C(N)=O)cc1 NC(=O)[*:1] COc1ccc(cc1)-n1nnnc1S[C@H](C)[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 CS(=O)(=O)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)Cn1c(C[*:1])nc2ccccc21
C[C@H]1CC[C@@H](C)CN1C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 CS(=O)(=O)C[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)Cn1c(nc2ccccc21)[*:1]
O=c1[nH]c(N[C@@H]2CCO[C@H]2c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] O=c1[nH]c(nc2ccccc12)N[C@@H]1CCO[C@@H]1[*:1]
COc1cccc2c1OC[C@@H](NC(=O)CNC(=O)c1ccc(C)c(C)c1)C2 Cc1ccc(cc1C)[*:1] COc1cccc2C[C@@H](COc21)NC(=O)CNC(=O)[*:1]
C[C@H]1C(=O)N(c2ccc(Br)cc2)CCN1C(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H]1C(=O)N(CCN1C(=O)[*:1])c1ccc(Br)cc1
C[C@H]1C(=O)N(c2ccc(Br)cc2)CCN1C(=O)C1CCCC1 Brc1ccc(cc1)[*:1] C[C@H]1C(=O)N(CCN1C(=O)C1CCCC1)[*:1]
Cc1ccc([C@@H](C)NC(=O)CCc2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCc1ccc2OCOc2c1)[*:1]
COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)cc1C COc1c(C)cc(cc1C)[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](C1)C(=O)[*:1]
COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)cc1C O=c1oc2ccccc2n1[*:1] COc1c(C)cc(cc1C)C(=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
C[C@H]1Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cc2NC1=O c1csc(c1)C[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
C[C@H]1Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cc2NC1=O O=S(=O)(NCc1cccs1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)c1cccc(c1)[*:1]
C[C@H]1Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cc2NC1=O c1csc(c1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)c1cccc(c1)S(=O)(=O)NC[*:1]
C[C@@H](NS(=O)(=O)CCO)c1ccncc1 OCC[*:1] C[C@@H](NS(=O)(=O)[*:1])c1ccncc1
COC[C@@H](C)n1c(CCCl)nc2cc(C)cnc21 ClCC[*:1] COC[C@@H](C)n1c(nc2cc(C)cnc21)[*:1]
COC[C@@H](C)n1c(CCCl)nc2cc(C)cnc21 COC[*:1] Cc1cnc2c(c1)nc(CCCl)n2[C@H](C)[*:1]
COC[C@@H](C)n1c(CCCl)nc2cc(C)cnc21 COC[C@@H](C)[*:1] Cc1cnc2c(c1)nc(CCCl)n2[*:1]
CC[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2ccccc2F)C1 NC(=O)[*:1] CC[NH2+][C@@]1(CCC[C@H](C1)Sc1ccccc1F)[*:1]
Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)nc2n1 NC(=O)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)OCC(=O)Nc1sc2C[C@H](C)CCc2c1[*:1]
COc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)-c1cnc(nc1C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2O1)[*:1]
COc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)c1 COc1cccc(c1)[*:1] O=C([C@@H]1Cc2ccccc2O1)N1CCC(CC1)c1nc(ncc1[*:1])-c1ccncc1
C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O c1csc(c1)-c1nc(co1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cccc(c1)-n1cnnn1
C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O c1nnnn1[*:1] C[C@]1(NC(=O)N(Cc2coc(n2)-c2cccs2)C1=O)c1cccc(c1)[*:1]
C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O c1csc(c1)[*:1] C[C@]1(NC(=O)N(Cc2coc(n2)[*:1])C1=O)c1cccc(c1)-n1cnnn1
C[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H](O)c1cccc(F)c1 Oc1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)C[C@@H](O)c1cccc(F)c1
C[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H](O)[*:1]
O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(n1Cc1ccccc1)[*:1])N[C@@H]1CCS(=O)(=O)C1
O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccc(F)cc2)n1C[*:1])N[C@@H]1CCS(=O)(=O)C1
O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] O=C(CSc1nnc(-c2ccc(F)cc2)n1[*:1])N[C@@H]1CCS(=O)(=O)C1
Cc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)cc1O Fc1ccccc1C[*:1] Cc1ccc(cc1O)C(=O)N1CCC[C@@H](C1)C[*:1]
Cc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)cc1O Cc1ccc(cc1O)[*:1] O=C(N1CCC[C@H](CCc2ccccc2F)C1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)cc1O Fc1ccccc1[*:1] Cc1ccc(cc1O)C(=O)N1CCC[C@H](CC[*:1])C1
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(C)s4)[C@@H]3c3ccccc3F)oc12 Cc1nnc(s1)[*:1] COc1cccc2cc(oc12)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccccc1F)[*:1]
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(C)s4)[C@@H]3c3ccccc3F)oc12 COc1cccc2cc(oc12)[*:1] Cc1nnc(s1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccccc1F
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(C)s4)[C@@H]3c3ccccc3F)oc12 Fc1ccccc1[*:1] COc1cccc2cc(oc12)C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@H]1[*:1]
O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCC(c2nc3ccccc3s2)CC1 Fc1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])N1CCC(CC1)c1nc2ccccc2s1
O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCC(c2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(Cn1nnc(n1)-c1ccc(F)cc1)N1CCC(CC1)[*:1]
Cc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2[N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)S(=O)(=O)Oc1ccc(C=O)cc1[*:1]
CN[C@H](c1[nH+]ccn1C)[C@H](C)OC CO[C@@H](C)[*:1] CN[C@H](c1[nH+]ccn1C)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ncc([N+](=O)[O-])s4)CC3)CC2=O)cc1 O=[N+]([O-])c1cnc(s1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ncc([N+](=O)[O-])s4)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ncc(s1)[N+](=O)[O-])C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ncc([N+](=O)[O-])s4)CC3)CC2=O)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)Nc1ncc(s1)[*:1]
CCC[C@@H](CS)CO[C@H]1C[C@H](C)CC(C)(C)C1 CCC[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)OC[C@H](CS)[*:1]
O=C(N/N=C/c1ccccc1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(N/N=C/c1ccccc1)C(=O)N[*:1]
O=C(N/N=C/c1ccccc1)C(=O)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(NN=C[*:1])C(=O)Nc1cccc(Cl)c1
COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCC[C@@H]1[*:1]
CCC[NH2+][C@]1(CO)CCC[C@@H]([NH+]2CCCC2)C1 CCC[*:1] OC[C@]1(CCC[C@H](C1)[NH+]1CCCC1)[NH2+][*:1]
CCC[NH2+][C@]1(CO)CCC[C@@H]([NH+]2CCCC2)C1 CCC[NH2+][*:1] OC[C@@]1(CCC[C@H](C1)[NH+]1CCCC1)[*:1]
O=C([O-])c1cccn1CC(=O)N1CCc2ccccc2C1 O=C([O-])[*:1] O=C(Cn1cccc1[*:1])N1CCc2ccccc2C1
Cc1cccc2[nH]c(CCC(=O)OCc3nnc(C)n3C)nc12 Cc1nnc(n1C)[*:1] Cc1cccc2[nH]c(CCC(=O)OC[*:1])nc12
C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C[C@H](O)c3ccccc3F)CC2)C1 Fc1ccccc1[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CN1CCN(CC1)C[C@H](O)[*:1]
C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C[C@H](O)c3ccccc3F)CC2)C1 O[C@H](c1ccccc1F)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CN1CCN(CC1)C[*:1]
O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2cccnc2)N1CC(F)(F)F c1cncc(c1)[*:1] O=C1c2ccccc2N[C@H](c2c[nH]nc2[*:1])N1CC(F)(F)F
O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2cccnc2)N1CC(F)(F)F FC(F)(F)C[*:1] O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2cccnc2)N1[*:1]
O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2cccnc2)N1CC(F)(F)F FC(F)(F)[*:1] O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2cccnc2)N1C[*:1]
Cn1c(SCc2nnc(-c3ccccc3Cl)o2)nc2ccccc2c1=O Clc1ccccc1[*:1] Cn1c(nc2ccccc2c1=O)SCc1nnc(o1)[*:1]
Cc1cc(S(=O)(=O)N2CCN(CC(F)F)CC2)c(F)cc1F FC(F)[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1cc(S(=O)(=O)N2CCN(CC(F)F)CC2)c(F)cc1F FC(F)C[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)N1CCN(CC1)[*:1]
O=C(NCCOC[C@H]1CCCO1)c1ccc(-n2ccnn2)cc1 C1CO[C@H](C1)CO[*:1] O=C(NCC[*:1])c1ccc(cc1)-n1ccnn1
O=C(NCCOC[C@H]1CCCO1)c1ccc(-n2ccnn2)cc1 C1CO[C@H](C1)C[*:1] O=C(NCCO[*:1])c1ccc(cc1)-n1ccnn1
O=C(NCCOC[C@H]1CCCO1)c1ccc(-n2ccnn2)cc1 C1CO[C@H](C1)[*:1] O=C(NCCOC[*:1])c1ccc(cc1)-n1ccnn1
O=C(NCCOC[C@H]1CCCO1)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(NCCOC[C@H]1CCCO1)c1ccc(cc1)[*:1]
COc1ccc(-c2nc(NC(=O)C3CCN(c4cnccn4)CC3)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)C1CCN(CC1)c1cnccn1
COc1ccc(-c2nc(NC(=O)C3CCN(c4cnccn4)CC3)sc2C)cc1 c1cnc(cn1)[*:1] COc1ccc(cc1)-c1nc(NC(=O)C2CCN(CC2)[*:1])sc1C
Nc1c(C(=O)NCCc2cccs2)sc2cccc(F)c12 c1csc(c1)C[*:1] Nc1c(sc2cccc(F)c12)C(=O)NC[*:1]
Nc1c(C(=O)NCCc2cccs2)sc2cccc(F)c12 c1csc(c1)[*:1] Nc1c(sc2cccc(F)c12)C(=O)NCC[*:1]
Nc1c(C(=O)NCCc2cccs2)sc2cccc(F)c12 c1csc(c1)CC[*:1] Nc1c(sc2cccc(F)c12)C(=O)N[*:1]
Cn1cc(C(=O)Nc2ccc(OC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])cc2)cn1 Cn1cc(cn1)[*:1] O=C(Oc1ccc(cc1)NC(=O)[*:1])[C@H]1C[C@@H]1[N+](=O)[O-]
Cn1cc(C(=O)Nc2ccc(OC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])cc2)cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)C(=O)Nc1ccc(cc1)OC(=O)[C@H]1C[C@H]1[*:1]
CNC(=O)c1cccc(Oc2ncnc3cc(Cl)ccc23)c1 CNC(=O)[*:1] Clc1ccc2c(ncnc2c1)Oc1cccc(c1)[*:1]
CO[C@@H](C)c1nc(CN(C)C(=O)N[C@H](C)c2cccc(C)c2C)cs1 CO[C@@H](C)[*:1] Cc1cccc(c1C)[C@@H](C)NC(=O)N(C)Cc1csc(n1)[*:1]
CO[C@@H](C)c1nc(CN(C)C(=O)N[C@H](C)c2cccc(C)c2C)cs1 Cc1cccc(c1C)[*:1] CO[C@@H](C)c1nc(cs1)CN(C)C(=O)N[C@H](C)[*:1]
CCOc1ccc(C[NH+](C)CC(=O)Nc2c(C)cc(C)cc2Cl)cc1 CCO[*:1] Cc1cc(C)c(NC(=O)C[NH+](C)Cc2ccc(cc2)[*:1])c(Cl)c1
Cc1c(/C=C/C(=O)Cl)cnn1C O=C(Cl)[*:1] Cc1c(C=C[*:1])cnn1C
C=C(Cn1cnc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] C=C(Cn1cnc2ccccc21)[*:1]
CCOc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
O=C(NCc1cccnc1OC1CCCC1)c1[nH]c2ccc(F)cc2c1Cl C1CCC(C1)O[*:1] O=C(NCc1cccnc1[*:1])c1[nH]c2ccc(F)cc2c1Cl
O=C(NCc1cccnc1OC1CCCC1)c1[nH]c2ccc(F)cc2c1Cl C1CCC(C1)[*:1] O=C(NCc1cccnc1O[*:1])c1[nH]c2ccc(F)cc2c1Cl
Cc1ccccc1OCC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 Cc1ccccc1[*:1] C[C@]1(NC(=O)NC1=O)c1cccc(c1)NC(=O)CO[*:1]
Cc1ccccc1OCC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 Cc1ccccc1O[*:1] C[C@]1(NC(=O)NC1=O)c1cccc(c1)NC(=O)C[*:1]
CNC(=O)c1ccc(NC(=O)c2ccccc2OCCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] CNC(=O)c1ccc(cc1)NC(=O)c1ccccc1O[*:1]
CNC(=O)c1ccc(NC(=O)c2ccccc2OCCc2ccccc2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)c1ccccc1OCC[*:1]
CNC(=O)c1ccc(NC(=O)c2ccccc2OCCc2ccccc2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1OCCc1ccccc1
CNC(=O)c1ccc(NC(=O)c2ccccc2OCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CNC(=O)c1ccc(cc1)NC(=O)c1ccccc1OC[*:1]
CNC(=O)c1ccc(NC(=O)c2ccccc2OCCc2ccccc2)cc1 c1ccc(cc1)CCO[*:1] CNC(=O)c1ccc(cc1)NC(=O)c1ccccc1[*:1]
O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1c(O)cccc1O Oc1cccc(O)c1[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
COc1ccccc1OC(=O)c1ccc(-n2cncn2)nc1 c1ncn(n1)[*:1] COc1ccccc1OC(=O)c1ccc(nc1)[*:1]
CC1CCN(C(=O)c2ccccc2NC(=O)c2scnc2C2CC2)CC1 C1CC1[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=O)c1scnc1[*:1]
CC1CCN(C(=O)c2ccccc2NC(=O)c2scnc2C2CC2)CC1 c1nc(c(s1)[*:1])C1CC1 CC1CCN(CC1)C(=O)c1ccccc1NC(=O)[*:1]
C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] C[C@H](Sc1ncc(o1)[*:1])C(=O)Nc1ccc2OCOc2c1
C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](Sc1ncc(o1)-c1ccc(F)cc1)C(=O)N[*:1]
COc1ccc(OC(F)F)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1 FC(F)O[*:1] COc1ccc(c(c1)CN1CCC[C@@H](C1)[NH+]1CCCC1)[*:1]
COc1ccc(OC(F)F)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1 FC(F)[*:1] COc1ccc(O[*:1])c(c1)CN1CCC[C@@H](C1)[NH+]1CCCC1
COc1ccc([C@H]2CC(=O)c3cnc(Nc4ccc(F)cc4)nc3C2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1CC(=O)c2cnc(nc2C1)N[*:1]
COc1ccc([C@H]2CC(=O)c3cnc(Nc4ccc(F)cc4)nc3C2)cc1OC Fc1ccc(cc1)N[*:1] COc1ccc(cc1OC)[C@H]1CC(=O)c2cnc(nc2C1)[*:1]
Cc1nonc1OCC[NH2+]Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn12 Cc1nonc1OC[*:1] CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]C[*:1]
Cc1nonc1OCC[NH2+]Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn12 CN(C)C(=O)[*:1] Cc1nonc1OCC[NH2+]Cc1c(nc2ccc(Cl)cn12)[*:1]
Cc1nonc1OCC[NH2+]Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn12 Cc1nonc1[*:1] CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]CCO[*:1]
Cc1nonc1OCC[NH2+]Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn12 Cc1nonc1O[*:1] CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]CC[*:1]
CC[NH2+]Cc1cn(C[C@@H]2CN(C)CCO2)c2ncccc12 CN1CCO[C@@H](C1)[*:1] CC[NH2+]Cc1cn(C[*:1])c2ncccc12
CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cn(C)nc1OC COc1nn(C)cc1[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cccc2ccccc12
CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cn(C)nc1OC c1ccc2c(cccc2c1)[*:1] CCn1c(nnc1-c1cn(C)nc1OC)SCC(=O)N[*:1]
COc1ccc(N2C(=O)C[C@H](c3cccc(Br)c3)c3sc(=O)n(C)c32)cc1 Brc1cccc(c1)[*:1] COc1ccc(cc1)N1C(=O)C[C@H](c2sc(=O)n(C)c21)[*:1]
COc1ccc(N2C(=O)C[C@H](c3cccc(Br)c3)c3sc(=O)n(C)c32)cc1 COc1ccc(cc1)[*:1] Cn1c2c(sc1=O)[C@H](CC(=O)N2[*:1])c1cccc(Br)c1
Cc1cccc2sc(NC(=O)CSc3nnc(CCc4nc5ccccc5s4)o3)nc12 Cc1cccc2sc(nc12)[*:1] O=C(CSc1nnc(CCc2nc3ccccc3s2)o1)N[*:1]
Cc1cccc2sc(NC(=O)CSc3nnc(CCc4nc5ccccc5s4)o3)nc12 c1ccc2sc(nc2c1)[*:1] Cc1cccc2sc(nc12)NC(=O)CSc1nnc(CC[*:1])o1
Cc1cccc2sc(NC(=O)CSc3nnc(CCc4nc5ccccc5s4)o3)nc12 c1ccc2sc(C[*:1])nc2c1 Cc1cccc2sc(nc12)NC(=O)CSc1nnc(C[*:1])o1
Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H](C(N)=O)C2)c(Br)c1 NC(=O)[*:1] Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H](C2)[*:1])c(Br)c1
CC(=O)c1sc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)nc1C Cc1ccc(cc1)[*:1] CC(=O)c1sc(nc1C)NC(=O)[C@@H](C)S[*:1]
CC(=O)c1sc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)nc1C CC(=O)[*:1] Cc1ccc(cc1)S[C@H](C)C(=O)Nc1nc(C)c(s1)[*:1]
Cc1cccc(NC(=O)[C@@H](C)SCCO)c1 OCCS[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)[*:1]
Cc1cccc(NC(=O)[C@@H](C)SCCO)c1 OCC[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)S[*:1]
C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C[C@H]1O Fc1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1ccc(cc1F)[*:1]
CC(C)[C@@H](CS)COC1CCCC1 CC(C)[*:1] SC[C@@H](COC1CCCC1)[*:1]
O=C(Cc1cc(F)ccc1F)N[C@H]1CCC[C@@H](C2CC2)C1 C1CC1[*:1] O=C(Cc1cc(F)ccc1F)N[C@H]1CCC[C@@H](C1)[*:1]
CN(Cc1ccncc1)C(=O)c1cc(-c2cnc(C3CC3)nc2)nc2ccccc12 c1nc(ncc1[*:1])C1CC1 CN(Cc1ccncc1)C(=O)c1cc(nc2ccccc12)[*:1]
CN(Cc1ccncc1)C(=O)c1cc(-c2cnc(C3CC3)nc2)nc2ccccc12 C1CC1[*:1] CN(Cc1ccncc1)C(=O)c1cc(nc2ccccc12)-c1cnc(nc1)[*:1]
CN(Cc1ccncc1)C(=O)c1cc(-c2cnc(C3CC3)nc2)nc2ccccc12 c1cc(ccn1)C[*:1] CN(C(=O)c1cc(nc2ccccc12)-c1cnc(nc1)C1CC1)[*:1]
CN(Cc1ccncc1)C(=O)c1cc(-c2cnc(C3CC3)nc2)nc2ccccc12 c1cc(ccn1)[*:1] CN(C[*:1])C(=O)c1cc(nc2ccccc12)-c1cnc(nc1)C1CC1
CC1=C(CN(C)C[C@@H]2C=NN=C2c2ccc(F)cc2)[C@@H](Cl)N(C)N1 Fc1ccc(cc1)[*:1] CC1NN(C)[C@H](Cl)C=1CN(C)C[C@@H]1C=NN=C1[*:1]
Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(Cl)cc3)Oc3ccc(C)cc32)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1C[C@H](Oc2ccc(C)cc21)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(Cl)cc3)Oc3ccc(C)cc32)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1C[C@H](Oc2ccc(C)cc21)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(Cl)cc3)Oc3ccc(C)cc32)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2O[C@@H](CN(c2c1)S(=O)(=O)[*:1])C(=O)NCc1ccc(Cl)cc1
C[C@H]([NH2+]Cc1ccco1)c1ccc(F)cn1 c1coc(c1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(F)cn1
O=C1CN(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)C(=O)N1 O=C1CN(C(=O)N1)[*:1] O=C(C[*:1])N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
O=C1CN(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)C(=O)N1 O=C1CN(C[*:1])C(=O)N1 O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[*:1]
O=C1CN(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)C(=O)N1 FC(F)(F)[*:1] O=C1CN(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2[*:1])C(=O)N1
O=C(CSc1ccc(F)cc1)NCc1n[nH]c(=O)c2ccccc12 Fc1ccc(cc1)S[*:1] O=C(C[*:1])NCc1n[nH]c(=O)c2ccccc12
O=C(CSc1ccc(F)cc1)NCc1n[nH]c(=O)c2ccccc12 Fc1ccc(cc1)[*:1] O=C(CS[*:1])NCc1n[nH]c(=O)c2ccccc12
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2C[C@@H]2C)cc1 CC(=O)[*:1] C[C@H]1C[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
CS(=O)(=O)CCC[C@@H]([NH3+])C1([NH+]2CCCCC2)CCCC1 CS(=O)(=O)[*:1] [NH3+][C@H](CCC[*:1])C1(CCCC1)[NH+]1CCCCC1
CS(=O)(=O)CCC[C@@H]([NH3+])C1([NH+]2CCCCC2)CCCC1 CS(=O)(=O)C[*:1] [NH3+][C@H](CC[*:1])C1(CCCC1)[NH+]1CCCCC1
CS(=O)(=O)CCC[C@@H]([NH3+])C1([NH+]2CCCCC2)CCCC1 CS(=O)(=O)CC[*:1] [NH3+][C@H](C[*:1])C1(CCCC1)[NH+]1CCCCC1
COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)C(=O)Nc1ccccc1[*:1]
Cc1ccc(CN2C(=O)[C@@]3(c4ccccc42)N(c2ccc(C)cc2)C(=O)CS3(=O)=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)CS(=O)(=O)[C@@]12C(=O)N(C[*:1])c1ccccc12
Cc1ccc(CN2C(=O)[C@@]3(c4ccccc42)N(c2ccc(C)cc2)C(=O)CS3(=O)=O)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)N1C(=O)CS(=O)(=O)[C@@]12C(=O)N(c1ccccc12)[*:1]
Cc1ccc(CN2C(=O)[C@@]3(c4ccccc42)N(c2ccc(C)cc2)C(=O)CS3(=O)=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)[C@@]2(c3ccccc31)N(C(=O)CS2(=O)=O)[*:1]
Cc1cccc2nc(CC[C@H](CC[NH3+])C(C)(C)C)oc12 CC(C)(C)[*:1] Cc1cccc2nc(CC[C@H](CC[NH3+])[*:1])oc12
CCC[NH+](CC(=O)N(C)C)Cc1cc2ccccc2nc1N1CCCCC1 CN(C)C(=O)[*:1] CCC[NH+](Cc1cc2ccccc2nc1N1CCCCC1)C[*:1]
CCC[NH+](CC(=O)N(C)C)Cc1cc2ccccc2nc1N1CCCCC1 C1CCN(CC1)[*:1] CCC[NH+](CC(=O)N(C)C)Cc1cc2ccccc2nc1[*:1]
C=CCn1nnnc1S[C@H](C)c1nc(C(C)C)no1 CC(C)[*:1] C=CCn1nnnc1S[C@H](C)c1nc(no1)[*:1]
C=CCn1nnnc1S[C@H](C)c1nc(C(C)C)no1 C=CC[*:1] CC(C)c1noc(n1)[C@@H](C)Sc1nnnn1[*:1]
CC(C)CC/[NH+]=C(\O)Nc1c(NC2CCCC2)c2ccccc2oc1=O C1CCC(C1)N[*:1] CC(C)CC/[NH+]=C(\O)Nc1c(c2ccccc2oc1=O)[*:1]
CC(C)CC/[NH+]=C(\O)Nc1c(NC2CCCC2)c2ccccc2oc1=O CC(C)[*:1] O=c1oc2ccccc2c(NC2CCCC2)c1N/C(O)=[NH+]/CC[*:1]
CC(C)CC/[NH+]=C(\O)Nc1c(NC2CCCC2)c2ccccc2oc1=O CC(C)CC[*:1] O=c1oc2ccccc2c(NC2CCCC2)c1NC(O)=[NH+][*:1]
CC(C)CC/[NH+]=C(\O)Nc1c(NC2CCCC2)c2ccccc2oc1=O C1CCC(C1)[*:1] CC(C)CC/[NH+]=C(\O)Nc1c(N[*:1])c2ccccc2oc1=O
CC(C)CC/[NH+]=C(\O)Nc1c(NC2CCCC2)c2ccccc2oc1=O CC(C)C[*:1] O=c1oc2ccccc2c(NC2CCCC2)c1N/C(O)=[NH+]/C[*:1]
COC[C@](C)(CNC(=O)c1cscn1)NC(=O)c1cscn1 COC[*:1] C[C@](CNC(=O)c1cscn1)(NC(=O)c1cscn1)[*:1]
COC[C@](C)(CNC(=O)c1cscn1)NC(=O)c1cscn1 c1nc(cs1)[*:1] COC[C@](C)(CNC(=O)c1cscn1)NC(=O)[*:1]
COC[C@](C)(CNC(=O)c1cscn1)NC(=O)c1cscn1 c1nc(cs1)[*:1] COC[C@](C)(CNC(=O)[*:1])NC(=O)c1cscn1
Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)[*:1])[C@@H]1CCc2ccccc2C1
O=C(C[NH+]1CCCC1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(C[NH+]1CCCC1)N1CCN(CC1)[*:1]
CC(=O)Nc1ccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 CC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCO[C@H](C1)c1cc(F)c(Cl)cc1Cl
CC(=O)Nc1ccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1 Fc1cc(c(Cl)cc1Cl)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N1CCO[C@@H](C1)[*:1]
O=C(CSc1nnc(NC(=O)c2ccccc2Br)s1)c1cccc([N+](=O)[O-])c1 Brc1ccccc1[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)c1cccc(c1)[N+](=O)[O-]
O=C(CSc1nnc(NC(=O)c2ccccc2Br)s1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1nnc(SCC(=O)[*:1])s1)c1ccccc1Br
O=C(CSc1nnc(NC(=O)c2ccccc2Br)s1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CSc1nnc(NC(=O)c2ccccc2Br)s1)c1cccc(c1)[*:1]
Cc1csc(CC(=O)C(C)(C)c2ccc(F)cc2)n1 Cc1csc(n1)[*:1] CC(C)(C(=O)C[*:1])c1ccc(F)cc1
CCOC(=O)C1=C(C[N+](C)(C)C2CCCC2)NC(=O)N[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(C[N+](C)(C)C2CCCC2)NC(=O)N[C@@H]1[*:1]
CCOC(=O)C1=C(C[N+](C)(C)C2CCCC2)NC(=O)N[C@H]1c1ccccc1 CCOC(=O)[*:1] C[N+](C)(CC1NC(=O)N[C@H](C=1[*:1])c1ccccc1)C1CCCC1
CCOC(=O)C1=C(C[N+](C)(C)C2CCCC2)NC(=O)N[C@H]1c1ccccc1 C1CCC(C1)[*:1] CCOC(=O)C1=C(C[N+](C)(C)[*:1])NC(=O)N[C@H]1c1ccccc1
Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(S(C)(=O)=O)cc3)n2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)-c1noc(n1)[C@@H]1C[C@@H](O)CN1Cc1ccc(cc1)[*:1]
Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(S(C)(=O)=O)cc3)n2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)c1ccc(cc1)CN1C[C@H](O)C[C@H]1c1nc(no1)[*:1]
CC(C)=C1Oc2cc(OC(=O)C3CC3)cc(C)c2C1=O C1CC1[*:1] CC(C)=C1Oc2cc(cc(C)c2C1=O)OC(=O)[*:1]
CC(C)=C1Oc2cc(OC(=O)C3CC3)cc(C)c2C1=O O=C(O[*:1])C1CC1 CC(C)=C1Oc2cc(cc(C)c2C1=O)[*:1]
CCOC[C@H]1CCCN(c2cccc(C(=O)NC)n2)C1 CCOC[*:1] CNC(=O)c1cccc(n1)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(c2cccc(C(=O)NC)n2)C1 CNC(=O)[*:1] CCOC[C@H]1CCCN(C1)c1cccc(n1)[*:1]
CCOC[C@H]1CCCN(c2cccc(C(=O)NC)n2)C1 CCO[*:1] CNC(=O)c1cccc(n1)N1CCC[C@@H](C1)C[*:1]
Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CN(C(=O)c1ccncc1)C2 c1cc(ccn1)[*:1] Cn1cc2CN(C[C@H](C(=O)NCCc3ccc(F)cc3)c2n1)C(=O)[*:1]
Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CN(C(=O)c1ccncc1)C2 Fc1ccc(cc1)C[*:1] Cn1cc2CN(C[C@H](C(=O)NC[*:1])c2n1)C(=O)c1ccncc1
Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CN(C(=O)c1ccncc1)C2 Fc1ccc(cc1)CC[*:1] Cn1cc2CN(C[C@H](C(=O)N[*:1])c2n1)C(=O)c1ccncc1
Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CN(C(=O)c1ccncc1)C2 Fc1ccc(cc1)[*:1] Cn1cc2CN(C[C@H](C(=O)NCC[*:1])c2n1)C(=O)c1ccncc1
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)no1 Cc1cc(no1)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccccc1)[*:1])c1ccc2ccccc2c1
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)no1 c1ccc2cc(ccc2c1)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccccc1
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccc3ccccc3c2)[C@@H]1[*:1]
Cc1ccc(CNC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc2nc(cn2c1)COc1cccc(c1)C(=O)N[*:1]
Cc1ccc(CNC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2nc(cn2c1)COc1cccc(c1)C(=O)NC[*:1]
Cc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)c2[nH]nc(c2Br)[*:1])c(C)c1
COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 COCC[*:1] CC1=C[C@@H]2[C@@H]3C(=O)N(C[*:1])C(=O)[C@@H]3[C@H](C(=O)c3cccc(c3)[N+](=O)[O-])N2c2ccccc21
COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 O=C(c1cccc(c1)[N+](=O)[O-])[*:1] COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@@H]2[*:1]
COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)[*:1]
COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 COCCC[*:1] CC1=C[C@@H]2[C@@H]3C(=O)N(C(=O)[C@@H]3[C@H](C(=O)c3cccc(c3)[N+](=O)[O-])N2c2ccccc21)[*:1]
COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1cccc(c1)[*:1]
COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 COC[*:1] CC1=C[C@@H]2[C@@H]3C(=O)N(CC[*:1])C(=O)[C@@H]3[C@H](C(=O)c3cccc(c3)[N+](=O)[O-])N2c2ccccc21
Cc1cc(F)ccc1CCNC(=O)Cc1cc2ccccc2[nH]c1=O Cc1cc(F)ccc1[*:1] O=C(Cc1cc2ccccc2[nH]c1=O)NCC[*:1]
C[C@@H](NC(=O)Nc1cccc2c1OCCO2)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@@H](NC(=O)Nc1cccc2OCCOc12)c1ccc(cc1)O[*:1]
C[C@@H](NC(=O)Nc1cccc2c1OCCO2)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@@H](NC(=O)Nc1cccc2OCCOc12)c1ccc(cc1)[*:1]
CCNC(=O)[C@@H]1CCCN(C(=O)NCC(C2CC2)C2CC2)C1 CCNC(=O)[*:1] O=C(NCC(C1CC1)C1CC1)N1CCC[C@H](C1)[*:1]
CCNC(=O)[C@@H]1CCCN(C(=O)NCC(C2CC2)C2CC2)C1 C1CC1C(C1CC1)[*:1] CCNC(=O)[C@@H]1CCCN(C1)C(=O)NC[*:1]
CCNC(=O)[C@@H]1CCCN(C(=O)NCC(C2CC2)C2CC2)C1 C1CC1[*:1] CCNC(=O)[C@@H]1CCCN(C1)C(=O)NCC(C1CC1)[*:1]
O=S(=O)(N1CCC[C@H]1c1ccco1)N1CCCO[C@H]2CCC[C@@H]21 c1coc(c1)[*:1] O=S(=O)(N1CCCO[C@H]2CCC[C@@H]21)N1CCC[C@@H]1[*:1]
CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN(C1)c1ncnc2c1nc1CCCCCn12
CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cc1 CCOC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ncnc2c1nc1CCCCCn12
CCCc1nnc2n1N[C@@H]([C@@H]1C=C(CC(C)C)N=N1)S2 CC(C)C[*:1] CCCc1nnc2S[C@@H](Nn12)[C@@H]1C=C(N=N1)[*:1]
CCCc1nnc2n1N[C@@H]([C@@H]1C=C(CC(C)C)N=N1)S2 CC(C)[*:1] CCCc1nnc2S[C@@H](Nn12)[C@@H]1C=C(C[*:1])N=N1
CCCc1nnc2n1N[C@@H]([C@@H]1C=C(CC(C)C)N=N1)S2 CCC[*:1] CC(C)CC1=C[C@H](N=N1)[C@@H]1Nn2c(nnc2[*:1])S1
COC(=O)C(C)(C)C[NH2+][C@H]1CCc2ccccc21 COC(=O)[*:1] CC(C)(C[NH2+][C@H]1CCc2ccccc21)[*:1]
CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2c(Cl)cccc2Cl)cc1 CC(=O)[*:1] CC1Nc2ncnn2[C@H](C=1[*:1])c1ccc(cc1)OCc1c(Cl)cccc1Cl
CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2c(Cl)cccc2Cl)cc1 Clc1cccc(Cl)c1C[*:1] CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(cc1)O[*:1]
CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2c(Cl)cccc2Cl)cc1 Clc1cccc(Cl)c1[*:1] CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(cc1)OC[*:1]
CCc1nn(C)c(NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(NCc2cccc(c2)[C@@]2(C)NC(=O)NC2=O)c1[*:1]
CCOC(=O)N1CCC(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)CC1 Cc1ccc(c(C)c1)[*:1] CCOC(=O)N1CCC(CC1)Nc1ncnc2c1cnn2[*:1]
COC(=O)c1cc(=O)n2nc(C)c(=O)nc2s1 COC(=O)[*:1] Cc1nn2c(=O)cc(sc2nc1=O)[*:1]
C[C@@]1(CNC(=O)c2cnc(Oc3ccccc3)cn2)CCCC[C@@H]1O c1ccc(cc1)[*:1] C[C@]1(CCCC[C@@H]1O)CNC(=O)c1cnc(cn1)O[*:1]
C[C@@]1(CNC(=O)c2cnc(Oc3ccccc3)cn2)CCCC[C@@H]1O c1ccc(cc1)O[*:1] C[C@]1(CCCC[C@@H]1O)CNC(=O)c1cnc(cn1)[*:1]
Cc1cc2nc(COC(=O)c3ccc(Cl)cc3)cc(=O)n2o1 Clc1ccc(cc1)[*:1] Cc1cc2nc(cc(=O)n2o1)COC(=O)[*:1]
N#Cc1ccc(-c2n[nH]c3c2CN(CCn2c(=O)oc4ccccc42)CC3)cc1 N#Cc1ccc(cc1)[*:1] O=c1oc2ccccc2n1CCN1CCc2[nH]nc(c2C1)[*:1]
Cc1nn(C)c2ncc(NC(=O)NCCCn3cnc4ccccc43)cc12 c1ccc2c(c1)ncn2[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)NCCC[*:1]
CCS[C@@H]1CC[C@H](NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)C1 OCC[*:1] CCS[C@@H]1CC[C@@H](C1)NC(=O)N(C[*:1])[C@@H]1CCc2ccccc21
CCS[C@@H]1CC[C@H](NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)C1 OCCC[*:1] CCS[C@@H]1CC[C@@H](C1)NC(=O)N([C@@H]1CCc2ccccc21)[*:1]
CCS[C@@H]1CC[C@H](NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)C1 CCS[*:1] O=C(N[C@H]1CC[C@H](C1)[*:1])N(CCCO)[C@@H]1CCc2ccccc21
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CC/C=C/c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCC=C[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CC/C=C/c1ccccc1 COC(=O)[*:1] O=C(CC/C=C/c1ccccc1)N[C@H]1CCCC[C@H]1[*:1]
CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@H]1CN(CC[C@@H]1[NH2+][C@@H](C)c1ccc(cc1)[*:1])C(C)=O
C[C@@H](O)[C@](C[NH3+])(Cc1ccc(Br)s1)c1ccccc1 Brc1ccc(s1)[*:1] C[C@@H](O)[C@](C[NH3+])(C[*:1])c1ccccc1
C[C@@H](O)[C@](C[NH3+])(Cc1ccc(Br)s1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](O)[C@](C[NH3+])(Cc1ccc(Br)s1)[*:1]
C[C@@H](O)[C@](C[NH3+])(Cc1ccc(Br)s1)c1ccccc1 C[C@@H](O)[*:1] [NH3+]C[C@](Cc1ccc(Br)s1)(c1ccccc1)[*:1]
O=C(Nc1ccccc1F)c1ccccc1Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1F)c1ccccc1N[*:1]
O=C(Nc1ccccc1F)c1ccccc1Nc1ccccc1 Fc1ccccc1[*:1] O=C(N[*:1])c1ccccc1Nc1ccccc1
O=C(Nc1ccccc1F)c1ccccc1Nc1ccccc1 c1ccc(cc1)N[*:1] O=C(Nc1ccccc1F)c1ccccc1[*:1]
CCn1nnnc1COc1cccc(C(=O)NCC(=O)N2CCOCC2)c1 O=C(C[*:1])N1CCOCC1 CCn1nnnc1COc1cccc(c1)C(=O)N[*:1]
CCn1nnnc1COc1cccc(C(=O)NCC(=O)N2CCOCC2)c1 CCn1nnnc1[*:1] O=C(NCC(=O)N1CCOCC1)c1cccc(c1)OC[*:1]
CCn1nnnc1COc1cccc(C(=O)NCC(=O)N2CCOCC2)c1 O=C(N1CCOCC1)[*:1] CCn1nnnc1COc1cccc(c1)C(=O)NC[*:1]
CCn1nnnc1COc1cccc(C(=O)NCC(=O)N2CCOCC2)c1 CCn1nnnc1C[*:1] O=C(NCC(=O)N1CCOCC1)c1cccc(c1)O[*:1]
CCn1nnnc1COc1cccc(C(=O)NCC(=O)N2CCOCC2)c1 CCn1nnnc1CO[*:1] O=C(NCC(=O)N1CCOCC1)c1cccc(c1)[*:1]
Cn1cc(C(=O)NCCc2nc(C(C)(C)C)cs2)ccc1=O CC(C)(C)[*:1] Cn1cc(ccc1=O)C(=O)NCCc1nc(cs1)[*:1]
COc1ccc(C(=O)NCc2cccc(COc3ccccc3)c2)nn1 c1ccc(cc1)[*:1] COc1ccc(nn1)C(=O)NCc1cccc(c1)CO[*:1]
COc1ccc(C(=O)NCc2cccc(COc3ccccc3)c2)nn1 c1ccc(cc1)O[*:1] COc1ccc(nn1)C(=O)NCc1cccc(c1)C[*:1]
COc1ccc(C(=O)NCc2cccc(COc3ccccc3)c2)nn1 COc1ccc(nn1)[*:1] O=C(NCc1cccc(c1)COc1ccccc1)[*:1]
COc1ccc(C(=O)NCc2cccc(COc3ccccc3)c2)nn1 c1ccc(cc1)OC[*:1] COc1ccc(nn1)C(=O)NCc1cccc(c1)[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@H]1[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1ccc(O)cc1 c1ccc(nc1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@@H]1c1ccc(O)cc1)[*:1]
CC(C)C[C@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)[*:1]
CC(C)C[C@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)C[*:1]
CCOc1cc2[nH]c(=O)n(CCC(C)C)c(=O)c2cc1OCC CC(C)[*:1] CCOc1cc2[nH]c(=O)n(CC[*:1])c(=O)c2cc1OCC
CCOc1cc2[nH]c(=O)n(CCC(C)C)c(=O)c2cc1OCC CC(C)C[*:1] CCOc1cc2[nH]c(=O)n(C[*:1])c(=O)c2cc1OCC
CCOc1cc2[nH]c(=O)n(CCC(C)C)c(=O)c2cc1OCC CC(C)CC[*:1] CCOc1cc2[nH]c(=O)n(c(=O)c2cc1OCC)[*:1]
CCOc1cc2[nH]c(=O)n(CCC(C)C)c(=O)c2cc1OCC CCO[*:1] CCOc1cc2c(=O)n(CCC(C)C)c(=O)[nH]c2cc1[*:1]
CCOc1cc2[nH]c(=O)n(CCC(C)C)c(=O)c2cc1OCC CCO[*:1] CCOc1cc2[nH]c(=O)n(CCC(C)C)c(=O)c2cc1[*:1]
CC(C)C[NH2+][C@H]1CCOC2(CCCC2)C1 CC(C)[*:1] C1CCC2(C1)C[C@H](CCO2)[NH2+]C[*:1]
CC(C)C[NH2+][C@H]1CCOC2(CCCC2)C1 CC(C)C[*:1] C1CCC2(C1)C[C@H](CCO2)[NH2+][*:1]
C[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)COc1ccc(I)cc1)[*:1]
C[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc(F)cc1 Ic1ccc(cc1)[*:1] C[C@@H](NC(=O)CO[*:1])c1ccc(F)cc1
CCc1ccc(Nc2ncnc(NC3CCCC3)c2N)cc1 C1CCC(C1)[*:1] CCc1ccc(cc1)Nc1ncnc(N[*:1])c1N
CCc1ccc(Nc2ncnc(NC3CCCC3)c2N)cc1 C1CCC(C1)N[*:1] CCc1ccc(cc1)Nc1ncnc(c1N)[*:1]
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)CC2(O)CCCC2)cc1 OC1(CCCC1)C[*:1] COc1ccc(cc1)[C@@H](Cc1ccc(F)cc1)NC(=O)[*:1]
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)CC2(O)CCCC2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H](NC(=O)CC1(O)CCCC1)[*:1]
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)CC2(O)CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(CC1(O)CCCC1)N[C@H](Cc1ccc(F)cc1)[*:1]
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)CC2(O)CCCC2)cc1 OC1(CCCC1)[*:1] COc1ccc(cc1)[C@@H](Cc1ccc(F)cc1)NC(=O)C[*:1]
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)CC2(O)CCCC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](C[*:1])NC(=O)CC1(O)CCCC1
CC(C)CCO[C@H](C)C(=O)N(C)C1CCS(=O)(=O)CC1 CC(C)[*:1] C[C@@H](OCC[*:1])C(=O)N(C)C1CCS(=O)(=O)CC1
CC(C)CCO[C@H](C)C(=O)N(C)C1CCS(=O)(=O)CC1 CC(C)CCO[*:1] C[C@H](C(=O)N(C)C1CCS(=O)(=O)CC1)[*:1]
CC(C)CCO[C@H](C)C(=O)N(C)C1CCS(=O)(=O)CC1 CC(C)C[*:1] C[C@@H](OC[*:1])C(=O)N(C)C1CCS(=O)(=O)CC1
CC(C)CCO[C@H](C)C(=O)N(C)C1CCS(=O)(=O)CC1 CC(C)CC[*:1] C[C@@H](O[*:1])C(=O)N(C)C1CCS(=O)(=O)CC1
CCNC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCNC(=O)N(Cc1ccc(cc1)OC)C[*:1]
CC[C@@H](C)NC(=O)c1cc(F)c(F)c(F)c1F CC[C@@H](C)[*:1] O=C(N[*:1])c1cc(F)c(F)c(F)c1F
CON(C)C(=O)c1cc2ccc(Cl)cc2nc1C CON(C)C(=O)[*:1] Cc1nc2cc(Cl)ccc2cc1[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC#N)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)Nc1ccc(cc1)CC#N)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] COc1ccc(cc1C(=O)Nc1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1ccc(CN(C)C(=O)c2cc(COc3ccc4sc(C)nc4c3)on2)o1 Cc1ccc(C[*:1])o1 Cc1nc2cc(ccc2s1)OCc1cc(no1)C(=O)N(C)[*:1]
Cc1ccc(CN(C)C(=O)c2cc(COc3ccc4sc(C)nc4c3)on2)o1 Cc1ccc(o1)[*:1] Cc1nc2cc(ccc2s1)OCc1cc(no1)C(=O)N(C)C[*:1]
CCn1cc(NCc2ccc(OC)c(CN3CCOCC3)c2)c(C)n1 C1CN(CCO1)C[*:1] CCn1cc(NCc2ccc(OC)c(c2)[*:1])c(C)n1
CCn1cc(NCc2ccc(OC)c(CN3CCOCC3)c2)c(C)n1 C1CN(CCO1)[*:1] CCn1cc(NCc2ccc(OC)c(c2)C[*:1])c(C)n1
CCn1cc(NCc2ccc(OC)c(CN3CCOCC3)c2)c(C)n1 CCn1cc(c(C)n1)[*:1] COc1ccc(cc1CN1CCOCC1)CN[*:1]
Cc1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCCN1CCN(CC1)c1ccc(F)cc1)[*:1]
Cc1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NCCN1CCN(CC1)[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 CC(C)n1nnnc1C[*:1] O=C(N[C@@H]1CCCc2ccccc21)c1cccc(c1)O[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 CC(C)[*:1] O=C(N[C@@H]1CCCc2ccccc21)c1cccc(c1)OCc1nnnn1[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 CC(C)n1nnnc1[*:1] O=C(N[C@@H]1CCCc2ccccc21)c1cccc(c1)OC[*:1]
CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 CCO[*:1] O=C(Nc1ccc2OCOc2c1)c1ccc(cc1)[*:1]
CCc1nn(C)cc1C(=O)N(CC)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CCc1nn(C)cc1C(=O)N(CC)[*:1]
CCc1nn(C)cc1C(=O)N(CC)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCc1nn(C)cc1C(=O)N(CC)C[*:1]
O=[N+]([O-])c1c(N[C@H]2CCCc3cc(OC(F)F)ccc32)nc2ccccn12 FC(F)[*:1] O=[N+]([O-])c1c(nc2ccccn12)N[C@H]1CCCc2cc(ccc21)O[*:1]
O=[N+]([O-])c1c(N[C@H]2CCCc3cc(OC(F)F)ccc32)nc2ccccn12 FC(F)O[*:1] O=[N+]([O-])c1c(nc2ccccn12)N[C@H]1CCCc2cc(ccc21)[*:1]
O=[N+]([O-])c1c(N[C@H]2CCCc3cc(OC(F)F)ccc32)nc2ccccn12 O=[N+]([O-])[*:1] FC(F)Oc1ccc2c(c1)CCC[C@@H]2Nc1nc2ccccn2c1[*:1]
O=C(NCc1ccc(F)cc1)[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
O=C(NCc1ccc(F)cc1)[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 c1cc(c2nsnc2c1)[*:1] O=C(NCc1ccc(F)cc1)[C@H](NS(=O)(=O)[*:1])c1ccccc1
O=C(NCc1ccc(F)cc1)[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
O=C(NCc1ccc(F)cc1)[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)[C@H](NS(=O)(=O)c1cccc2nsnc12)[*:1]
COC(C)(C)c1noc(C[C@@H]2NCCNC2=O)n1 COC(C)(C)[*:1] O=C1NCCN[C@H]1Cc1nc(no1)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)COc2c(Cl)cccc2Cl)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)n(n1)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)COc2c(Cl)cccc2Cl)cc1 Clc1cccc(Cl)c1[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)CO[*:1]
COc1ccc2cc(C[NH+](C)CC(=O)Nc3ccccc3F)ccc2c1 Fc1ccccc1[*:1] COc1ccc2cc(ccc2c1)C[NH+](C)CC(=O)N[*:1]
O=C(CN1CCc2nc(NC(=O)c3ccccn3)sc2C1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(CN1CCc2nc(NC(=O)c3ccccn3)sc2C1)N[*:1]
O=C(CN1CCc2nc(NC(=O)c3ccccn3)sc2C1)Nc1cccc(C(F)(F)F)c1 O=C(N[*:1])c1ccccn1 O=C(CN1CCc2nc(sc2C1)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(CN1CCc2nc(NC(=O)c3ccccn3)sc2C1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CN1CCc2nc(NC(=O)c3ccccn3)sc2C1)Nc1cccc(c1)[*:1]
O=C(CN1CCc2nc(NC(=O)c3ccccn3)sc2C1)Nc1cccc(C(F)(F)F)c1 c1ccc(nc1)[*:1] O=C(CN1CCc2nc(NC(=O)[*:1])sc2C1)Nc1cccc(c1)C(F)(F)F
O=C(CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)N1CCCC1 O=C(N1CCCC1)[*:1] Fc1ccc(cc1)[C@H]([NH2+]CC[*:1])C1CCCC1
O=C(CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)N1CCCC1 C1CCC(C1)[*:1] O=C(CC[NH2+][C@@H](c1ccc(F)cc1)[*:1])N1CCCC1
O=C(CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(CC[NH2+][C@@H](C1CCCC1)[*:1])N1CCCC1
Cc1noc(C)c1N(C)CCCS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1noc(C)c1N(C)CC[*:1]
Cc1noc(C)c1N(C)CCCS(C)(=O)=O CS(=O)(=O)[*:1] Cc1noc(C)c1N(C)CCC[*:1]
COc1ccccc1-c1cc(Cn2c(S(C)(=O)=O)nc3ccccc32)on1 CS(=O)(=O)[*:1] COc1ccccc1-c1cc(Cn2c(nc3ccccc32)[*:1])on1
COc1ccccc1-c1cc(Cn2c(S(C)(=O)=O)nc3ccccc32)on1 COc1ccccc1[*:1] CS(=O)(=O)c1nc2ccccc2n1Cc1cc(no1)[*:1]
CO[C@]1(C)C[C@H](NC(=O)COc2ccc(N3CCCC3=O)cc2)C1(C)C O=C1CCCN1[*:1] CO[C@]1(C)C[C@H](NC(=O)COc2ccc(cc2)[*:1])C1(C)C
CC[C@H](CSC)[NH2+][C@H](C)c1ccccc1C CSC[*:1] CC[C@H]([NH2+][C@H](C)c1ccccc1C)[*:1]
CCOCCN(C)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 CCO[*:1] CN(CC[*:1])C(=O)Nc1cccc(c1)C(=O)N1CCCC1
CCOCCN(C)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 CCOCC[*:1] CN(C(=O)Nc1cccc(c1)C(=O)N1CCCC1)[*:1]
CCOCCN(C)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] CCOCCN(C)C(=O)Nc1cccc(c1)[*:1]
CCOCCN(C)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 CCOC[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)C(=O)N1CCCC1
Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 Cc1ccnc(c1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)S(=O)(=O)N[*:1]
CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@H](C)CSC)CC2)cc1 CSC[*:1] CCS(=O)(=O)c1ccc(cc1)N1CCC(CC1)NC(=O)[C@H](C)[*:1]
CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@H](C)CSC)CC2)cc1 CCS(=O)(=O)[*:1] CSC[C@@H](C)C(=O)NC1CCN(CC1)c1ccc(cc1)[*:1]
Cn1cnnc1[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] Cn1cnnc1[C@@H]1CCCN(C1)C(=O)CO[*:1]
Cn1cnnc1[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 Cn1cnnc1[*:1] O=C(COc1ccc(Cl)cc1)N1CCC[C@H](C1)[*:1]
O=C(NCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccco1 c1coc(c1)[*:1] O=C(CCCNC(=O)[*:1])N1CCC[C@@H]1c1nc2ccccc2[nH]1
O=C(NCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccco1 O=C(NC[*:1])c1ccco1 O=C(CC[*:1])N1CCC[C@@H]1c1nc2ccccc2[nH]1
O=C(NCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(CCC[*:1])N1CCC[C@@H]1c1nc2ccccc2[nH]1
O=C(NCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccco1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NCCCC(=O)N1CCC[C@H]1[*:1])c1ccco1
C[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)N(C)Cc2cnn(C)c2)CC1 Cn1cc(cn1)C[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)CC(=O)N(C)[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(CC(=O)N(C)Cc2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)CC(=O)N(C)C[*:1]
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)NCc3ccsc3)c2)n1 CCc1cc(=O)[nH]c(n1)[*:1] O=C(NCc1ccsc1)C(=O)Nc1cccc(c1)[*:1]
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)NCc3ccsc3)c2)n1 c1cc(cs1)C[*:1] CCc1cc(=O)[nH]c(n1)-c1cccc(c1)NC(=O)C(=O)N[*:1]
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)NCc3ccsc3)c2)n1 c1cc(cs1)[*:1] CCc1cc(=O)[nH]c(n1)-c1cccc(c1)NC(=O)C(=O)NC[*:1]
CCOc1ncccc1CNC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 CCO[*:1] O=C(NCc1cccnc1[*:1])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
CCOc1ncccc1CNC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 CCOc1ncccc1[*:1] O=C(NC[*:1])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)c(Br)c2)c1 CC(C)(C)NC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(OC[C@H]2CCCO2)c(Br)c1
CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)c(Br)c2)c1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])c1ccc(OC[C@H]2CCCO2)c(Br)c1
C[C@](O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccon1 c1ccc(cc1)[*:1] C[C@](O)(CC[*:1])CNC(=O)C(=O)Nc1ccon1
C[C@](O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccon1 c1cc(no1)[*:1] C[C@](O)(CCc1ccccc1)CNC(=O)C(=O)N[*:1]
C[C@](O)(CCc1ccccc1)CNC(=O)C(=O)Nc1ccon1 c1ccc(cc1)C[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1ccon1)C[*:1]
COc1cc([C@@H](O)c2nccn2C)cc(OC)c1OC Cn1ccnc1[*:1] COc1cc(cc(OC)c1OC)[C@@H](O)[*:1]
O=C1COc2ccc([C@@H](Cl)C(F)(F)C(F)F)cc2N1 FC(F)[*:1] O=C1COc2ccc(cc2N1)[C@@H](Cl)C(F)(F)[*:1]
O=C1COc2ccc([C@@H](Cl)C(F)(F)C(F)F)cc2N1 FC(F)C(F)(F)[*:1] O=C1COc2ccc(cc2N1)[C@@H](Cl)[*:1]
Cc1cc(F)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] Cc1cc(F)ccc1NC(=O)c1ccc(Cl)c(c1)[*:1]
Cc1cc(F)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 Cc1cc(F)ccc1[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1
CCC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccccn2)c1 c1ccc(nc1)[*:1] CCC(=O)Nc1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
CCC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccccn2)c1 CCC(=O)N[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H]1c1ccccn1
C[C@@H]([NH2+][C@@H]1CCCc2ccc(Br)cc21)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H]([NH2+][C@@H]1CCCc2ccc(Br)cc21)[*:1]
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)c2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)N(C)[*:1]
CCC(=O)c1cn(Cc2ccccc2F)c2ccccc12 CCC(=O)[*:1] Fc1ccccc1Cn1cc(c2ccccc21)[*:1]
CCC(=O)c1cn(Cc2ccccc2F)c2ccccc12 Fc1ccccc1[*:1] CCC(=O)c1cn(C[*:1])c2ccccc12
Cc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1ccccc1)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)NNC(=O)C[*:1]
Cc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NNC(=O)CC[*:1]
C[C@H](C#N)Oc1c(F)cc(CC[NH3+])cc1F C[C@H](C#N)O[*:1] [NH3+]CCc1cc(F)c(c(F)c1)[*:1]
C[C@H](C#N)Oc1c(F)cc(CC[NH3+])cc1F [NH3+]CC[*:1] C[C@H](C#N)Oc1c(F)cc(cc1F)[*:1]
C[C@H](C#N)Oc1c(F)cc(CC[NH3+])cc1F C[C@H](C#N)[*:1] [NH3+]CCc1cc(F)c(O[*:1])c(F)c1
COc1ccc(NC(=O)c2ccc(C(N)=S)cc2)cc1Cl NC(=S)[*:1] COc1ccc(cc1Cl)NC(=O)c1ccc(cc1)[*:1]
CC1(C)C(n2c(SCC(=O)[O-])nc3cnccc32)C1(C)C O=C([O-])C[*:1] CC1(C)C(n2c(nc3cnccc32)S[*:1])C1(C)C
CC1(C)C(n2c(SCC(=O)[O-])nc3cnccc32)C1(C)C CC1(C)C(C1(C)C)[*:1] O=C([O-])CSc1nc2cnccc2n1[*:1]
CC1(C)C(n2c(SCC(=O)[O-])nc3cnccc32)C1(C)C O=C([O-])CS[*:1] CC1(C)C(n2c(nc3cnccc32)[*:1])C1(C)C
CC1(C)C(n2c(SCC(=O)[O-])nc3cnccc32)C1(C)C O=C([O-])[*:1] CC1(C)C(n2c(nc3cnccc32)SC[*:1])C1(C)C
Cc1cccc(Nc2ncnc(NCCC3=CCCCC3)c2N)c1 Cc1cccc(c1)N[*:1] Nc1c(ncnc1[*:1])NCCC1=CCCCC1
Cc1cccc(Nc2ncnc(NCCC3=CCCCC3)c2N)c1 Cc1cccc(c1)[*:1] Nc1c(ncnc1N[*:1])NCCC1=CCCCC1
Cc1cccc(CN2CCCN(c3cccc(C(=O)NCC[NH+](C)C)c3)C2=O)c1 Cc1cccc(c1)C[*:1] C[NH+](C)CCNC(=O)c1cccc(c1)N1CCCN(C1=O)[*:1]
Cc1cccc(CN2CCCN(c3cccc(C(=O)NCC[NH+](C)C)c3)C2=O)c1 Cc1cccc(c1)[*:1] C[NH+](C)CCNC(=O)c1cccc(c1)N1CCCN(C[*:1])C1=O
COc1ccsc1CN1CCO[C@@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] COc1ccsc1CN1CCO[C@@H](C1)[*:1]
COc1ccsc1CN1CCO[C@@H](c2cccc(F)c2)C1 COc1ccsc1[*:1] Fc1cccc(c1)[C@H]1CN(CCO1)C[*:1]
Cc1ccc2c(CC(=O)NNC(=O)c3cccnc3)coc2c1 c1cncc(c1)[*:1] Cc1ccc2c(coc2c1)CC(=O)NNC(=O)[*:1]
CCc1ccccc1N1C[C@H](C(=O)NCC(=O)Nc2c(C)cccc2C)CC1=O Cc1cccc(C)c1[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)NCC(=O)N[*:1]
CCc1ccccc1N1C[C@H](C(=O)NCC(=O)Nc2c(C)cccc2C)CC1=O CCc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(c1cc(Br)c[nH]1)N1CCc2ccc(Cl)cc2C1 Brc1c[nH]c(c1)[*:1] O=C(N1CCc2ccc(Cl)cc2C1)[*:1]
CCC[C@@H](CCO)CNc1nccnc1C#N CCC[*:1] N#Cc1nccnc1NC[C@H](CCO)[*:1]
CCC[C@@H](CCO)CNc1nccnc1C#N OCC[*:1] CCC[C@@H](CNc1nccnc1C#N)[*:1]
CC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 CC(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)[*:1]
CC(C)(C)OC(=O)Nc1ccc(-c2cccc(Cl)c2C(=O)[O-])cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)-c1cccc(Cl)c1C(=O)[O-])O[*:1]
CC(C)(C)OC(=O)Nc1ccc(-c2cccc(Cl)c2C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cccc(Cl)c1[*:1]
CC(C)(C)OC(=O)Nc1ccc(-c2cccc(Cl)c2C(=O)[O-])cc1 CC(C)(C)OC(=O)N[*:1] O=C([O-])c1c(Cl)cccc1-c1ccc(cc1)[*:1]
Cc1cccc(C(C)(C)NC(=O)Nc2ccccc2OCCC(N)=O)c1 NC(=O)CCO[*:1] Cc1cccc(c1)C(C)(C)NC(=O)Nc1ccccc1[*:1]
Cc1cccc(C(C)(C)NC(=O)Nc2ccccc2OCCC(N)=O)c1 NC(=O)CC[*:1] Cc1cccc(c1)C(C)(C)NC(=O)Nc1ccccc1O[*:1]
Cc1cccc(C(C)(C)NC(=O)Nc2ccccc2OCCC(N)=O)c1 NC(=O)[*:1] Cc1cccc(c1)C(C)(C)NC(=O)Nc1ccccc1OCC[*:1]
Cc1cccc(C(C)(C)NC(=O)Nc2ccccc2OCCC(N)=O)c1 Cc1cccc(c1)[*:1] CC(C)(NC(=O)Nc1ccccc1OCCC(N)=O)[*:1]
Cc1cccc(C(C)(C)NC(=O)Nc2ccccc2OCCC(N)=O)c1 NC(=O)C[*:1] Cc1cccc(c1)C(C)(C)NC(=O)Nc1ccccc1OC[*:1]
O=C(c1ccc(F)c(COCC2CC2)c1)N1CCC(O)CC1 C1CC1CO[*:1] O=C(c1ccc(F)c(c1)C[*:1])N1CCC(O)CC1
O=C(c1ccc(F)c(COCC2CC2)c1)N1CCC(O)CC1 C1CC1COC[*:1] O=C(c1ccc(F)c(c1)[*:1])N1CCC(O)CC1
O=C(c1ccc(F)c(COCC2CC2)c1)N1CCC(O)CC1 C1CC1[*:1] O=C(c1ccc(F)c(c1)COC[*:1])N1CCC(O)CC1
O=C(c1ccc(F)c(COCC2CC2)c1)N1CCC(O)CC1 C1CC1C[*:1] O=C(c1ccc(F)c(c1)CO[*:1])N1CCC(O)CC1
Nc1c(N(CC(=O)N2CCCCC2)C[C@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 O=C(N1CCCCC1)[*:1] Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(C[C@H]1CCCO1)C[*:1]
Nc1c(N(CC(=O)N2CCCCC2)C[C@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] Nc1c(c(=O)[nH]c(=O)n1C[*:1])N(CC(=O)N1CCCCC1)C[C@H]1CCCO1
Nc1c(N(CC(=O)N2CCCCC2)C[C@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 O=C(C[*:1])N1CCCCC1 Nc1c(c(=O)[nH]c(=O)n1Cc1ccccc1)N(C[C@H]1CCCO1)[*:1]
Nc1c(N(CC(=O)N2CCCCC2)C[C@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Nc1c(c(=O)[nH]c(=O)n1[*:1])N(CC(=O)N1CCCCC1)C[C@H]1CCCO1
CCC[NH+]1CCCn2nc(CNS(=O)(=O)c3cccc(OC)c3)cc2C1 CCC[*:1] COc1cccc(c1)S(=O)(=O)NCc1cc2C[NH+](CCCn2n1)[*:1]
CCC[NH+]1CCCn2nc(CNS(=O)(=O)c3cccc(OC)c3)cc2C1 COc1cccc(c1)[*:1] CCC[NH+]1CCCn2nc(cc2C1)CNS(=O)(=O)[*:1]
O=c1[nH]c(Cn2c(-c3ccccc3)noc2=O)nc2sc3c(c12)CCCC3 c1ccc(cc1)[*:1] O=c1[nH]c(Cn2c(noc2=O)[*:1])nc2sc3CCCCc3c12
CNC(=O)CCc1csc2nc(-c3ccc(Cl)cc3)cn12 Clc1ccc(cc1)[*:1] CNC(=O)CCc1csc2nc(cn12)[*:1]
CNC(=O)CCc1csc2nc(-c3ccc(Cl)cc3)cn12 CNC(=O)C[*:1] Clc1ccc(cc1)-c1cn2c(csc2n1)C[*:1]
CNC(=O)CCc1csc2nc(-c3ccc(Cl)cc3)cn12 CNC(=O)CC[*:1] Clc1ccc(cc1)-c1cn2c(csc2n1)[*:1]
CNC(=O)CCc1csc2nc(-c3ccc(Cl)cc3)cn12 CNC(=O)[*:1] Clc1ccc(cc1)-c1cn2c(csc2n1)CC[*:1]
Cc1cc(C)cc(C2(CNC(=O)[C@H]3CC(=O)N(C4CC4)C3)CCCC2)c1 C1CC1[*:1] Cc1cc(C)cc(c1)C1(CCCC1)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1cc(C)cc(C2(CNC(=O)[C@H]3CC(=O)N(C4CC4)C3)CCCC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCC1(CCCC1)[*:1])[C@H]1CC(=O)N(C1)C1CC1
O=C([C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] Fc1ccc(cc1)-n1c(C[NH+]2CCCCC2)nnc1S[C@H](c1ccccc1)[*:1]
O=C([C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)[*:1])N1CCOCC1
O=C([C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1)N1CCOCC1 Fc1ccc(cc1)[*:1] O=C([C@H](Sc1nnc(C[NH+]2CCCCC2)n1[*:1])c1ccccc1)N1CCOCC1
C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccccc1O[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccccc1O[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccccc1O[C@@H]1CCOC1 C1C[C@H](CO1)O[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccccc1[*:1]
COc1cccc([C@H](CNC(=O)[C@H](C)n2cccn2)[NH+](C)C)c1 C[C@H](n1cccn1)[*:1] COc1cccc(c1)[C@H](CNC(=O)[*:1])[NH+](C)C
COc1cccc([C@H](CNC(=O)[C@H](C)n2cccn2)[NH+](C)C)c1 c1cnn(c1)[*:1] COc1cccc(c1)[C@H](CNC(=O)[C@H](C)[*:1])[NH+](C)C
Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-] NC(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)[NH2+]C[C@@H]1CC[C@H](O1)[*:1]
Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@H](C)[NH2+]C[C@@H]1CC[C@@H](O1)C(N)=O
Cc1ccc(-c2nc(CNC(=O)c3ncn[nH]3)[nH]c2-c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)-c1nc(CNC(=O)c2ncn[nH]2)[nH]c1[*:1]
Cc1ccc(-c2nc(CNC(=O)c3ncn[nH]3)[nH]c2-c2ccccn2)cc1 c1n[nH]c(n1)[*:1] Cc1ccc(cc1)-c1nc(CNC(=O)[*:1])[nH]c1-c1ccccn1
Cc1ccc(-c2nc(CNC(=O)c3ncn[nH]3)[nH]c2-c2ccccn2)cc1 O=C(N[*:1])c1ncn[nH]1 Cc1ccc(cc1)-c1nc(C[*:1])[nH]c1-c1ccccn1
Cc1ccc(-c2nc(CNC(=O)c3ncn[nH]3)[nH]c2-c2ccccn2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1nc(c([nH]1)-c1ccccn1)[*:1])c1ncn[nH]1
Cc1ccc(-c2nc(CNC(=O)c3ncn[nH]3)[nH]c2-c2ccccn2)cc1 O=C(NC[*:1])c1ncn[nH]1 Cc1ccc(cc1)-c1nc([nH]c1-c1ccccn1)[*:1]
CCOc1cccc(C(=O)NC(=S)NCc2ccccc2)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)C(=O)NC(=S)NC[*:1]
CCOc1cccc(C(=O)NC(=S)NCc2ccccc2)c1 CCO[*:1] O=C(NC(=S)NCc1ccccc1)c1cccc(c1)[*:1]
CCOc1cccc(C(=O)NC(=S)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] CCOc1cccc(c1)C(=O)NC(=S)N[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1ccncc1Cl COC(=O)[*:1] CC(C)C[C@H](NC(=O)c1ccncc1Cl)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1ccncc1Cl CC(C)C[*:1] COC(=O)[C@H](NC(=O)c1ccncc1Cl)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1ccncc1Cl CC(C)[*:1] COC(=O)[C@H](C[*:1])NC(=O)c1ccncc1Cl
O=C(CSc1nc(Cc2cccs2)n[nH]1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(CSc1nc(Cc2cccs2)n[nH]1)N[*:1]
O=C(CSc1nc(Cc2cccs2)n[nH]1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(CSc1nc(Cc2cccs2)n[nH]1)NC[*:1]
O=C(CSc1nc(Cc2cccs2)n[nH]1)NC[C@H]1CCCO1 c1csc(c1)[*:1] O=C(CSc1nc(C[*:1])n[nH]1)NC[C@H]1CCCO1
O=C(CSc1nc(Cc2cccs2)n[nH]1)NC[C@H]1CCCO1 c1csc(c1)C[*:1] O=C(CSc1nc(n[nH]1)[*:1])NC[C@H]1CCCO1
CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 CC(C)C[*:1] O=C(N(Cc1cccc(F)c1)C[C@H]1CC(=NO1)c1cccc(F)c1)[*:1]
CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] CC(C)CC(=O)N(C[C@H]1CC(=NO1)c1cccc(F)c1)C[*:1]
CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@H]1CC(=NO1)[*:1]
CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)C[*:1] CC(C)CC(=O)N(C[C@H]1CC(=NO1)c1cccc(F)c1)[*:1]
CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 CC(C)[*:1] O=C(C[*:1])N(Cc1cccc(F)c1)C[C@H]1CC(=NO1)c1cccc(F)c1
O=C(NCCc1cn2ccccc2n1)c1ccc(OCC(F)F)nc1 FC(F)[*:1] O=C(NCCc1cn2ccccc2n1)c1ccc(nc1)OC[*:1]
O=C(NCCc1cn2ccccc2n1)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] O=C(NCCc1cn2ccccc2n1)c1ccc(nc1)[*:1]
O=C(NCCc1cn2ccccc2n1)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] O=C(NCCc1cn2ccccc2n1)c1ccc(nc1)O[*:1]
CCOC(=O)CN1CCN(c2ccccc2OC)C(=O)[C@H]1C CCOC(=O)[*:1] COc1ccccc1N1CCN(C[*:1])[C@H](C)C1=O
CCOC(=O)CN1CCN(c2ccccc2OC)C(=O)[C@H]1C CCOC(=O)C[*:1] COc1ccccc1N1CCN([C@H](C)C1=O)[*:1]
COc1ccc([C@H](NC(=O)c2ccc[nH]2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1ccc[nH]1)[*:1]
COc1ccc([C@H](NC(=O)c2ccc[nH]2)C2CCOCC2)cc1 c1c[nH]c(c1)[*:1] COc1ccc(cc1)[C@H](NC(=O)[*:1])C1CCOCC1
COCC/C(Nc1ccccc1Cl)=[NH+]\C(C)(C)C COCC[*:1] CC(C)(C)/[NH+]=C(/Nc1ccccc1Cl)[*:1]
COCC/C(Nc1ccccc1Cl)=[NH+]\C(C)(C)C CC(C)(C)[*:1] COCCC(Nc1ccccc1Cl)=[NH+][*:1]
COCC/C(Nc1ccccc1Cl)=[NH+]\C(C)(C)C COC[*:1] CC(C)(C)/[NH+]=C(\C[*:1])Nc1ccccc1Cl
COc1ncnc2c1nc([C@@H](C)Cl)n2CCc1ccsc1 c1cc(cs1)CC[*:1] COc1ncnc2c1nc([C@@H](C)Cl)n2[*:1]
COc1ncnc2c1nc([C@@H](C)Cl)n2CCc1ccsc1 c1cc(cs1)C[*:1] COc1ncnc2c1nc([C@@H](C)Cl)n2C[*:1]
COc1ncnc2c1nc([C@@H](C)Cl)n2CCc1ccsc1 C[C@@H](Cl)[*:1] COc1ncnc2c1nc(n2CCc1ccsc1)[*:1]
COc1ncnc2c1nc([C@@H](C)Cl)n2CCc1ccsc1 c1cc(cs1)[*:1] COc1ncnc2c1nc([C@@H](C)Cl)n2CC[*:1]
CCc1nn(C)cc1NC(=O)c1cnc(OC(C)C)c(Cl)c1 CC(C)[*:1] CCc1nn(C)cc1NC(=O)c1cnc(O[*:1])c(Cl)c1
CCc1nn(C)cc1NC(=O)c1cnc(OC(C)C)c(Cl)c1 CC(C)O[*:1] CCc1nn(C)cc1NC(=O)c1cnc(c(Cl)c1)[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)CN2CCCCCC2=O)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)CN1CCCCCC1=O)[C@@H](O)[*:1]
COc1ccc([C@H](O)[C@H](C)NC(=O)CN2CCCCCC2=O)cc1 O=C1CCCCCN1[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)C[*:1]
CC[C@H](Nc1ncnc2sc(C)cc12)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@H](Nc1ncnc2sc(C)cc12)[*:1]
CCn1c(S[C@@H](C(=O)N(C)C)C(C)C)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])S[C@@H](C(=O)N(C)C)C(C)C
CCn1c(S[C@@H](C(=O)N(C)C)C(C)C)nnc1-c1ccccc1 CN(C)C(=O)[*:1] CCn1c(nnc1-c1ccccc1)S[C@@H](C(C)C)[*:1]
CCn1c(S[C@@H](C(=O)N(C)C)C(C)C)nnc1-c1ccccc1 CC(C)[*:1] CCn1c(nnc1-c1ccccc1)S[C@@H](C(=O)N(C)C)[*:1]
C[C@@H](OCC1CC1)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 C1CC1[*:1] C[C@@H](OC[*:1])C(=O)N1CC[C@@H](C1)Oc1cccc(Cl)c1
C[C@@H](OCC1CC1)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] C[C@@H](OCC1CC1)C(=O)N1CC[C@@H](C1)O[*:1]
C[C@@H](OCC1CC1)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 C1CC1C[*:1] C[C@@H](O[*:1])C(=O)N1CC[C@@H](C1)Oc1cccc(Cl)c1
C[C@@H](OCC1CC1)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 C1CC1CO[*:1] C[C@@H](C(=O)N1CC[C@@H](C1)Oc1cccc(Cl)c1)[*:1]
C[C@@H](OCC1CC1)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 C[C@@H](OCC1CC1)[*:1] O=C(N1CC[C@@H](C1)Oc1cccc(Cl)c1)[*:1]
Cc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(C)c1 c1csc(c1)[*:1] Cc1ccc(OCC(=O)NC[C@H]([NH+](C)C)[*:1])c(C)c1
C[C@H](NCc1cccc(N(C)C)[nH+]1)c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] C[C@H](NCc1cccc([nH+]1)N(C)C)c1ccccc1[*:1]
C[C@H](NCc1cccc(N(C)C)[nH+]1)c1ccccc1OC(F)(F)F FC(F)(F)[*:1] C[C@H](NCc1cccc([nH+]1)N(C)C)c1ccccc1O[*:1]
C[C@H](NCc1cccc(N(C)C)[nH+]1)c1ccccc1OC(F)(F)F CN(C)[*:1] C[C@H](NCc1cccc([nH+]1)[*:1])c1ccccc1OC(F)(F)F
Cc1nnc2n1CCC[C@H]2NC(=O)N[C@H](C)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)N[C@H](C)c1nc(no1)[*:1]
C/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 C1CN(CCO1)[*:1] C/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc(cc1)[*:1]
C/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 Brc1cccc(c1)[*:1] C/C(=N/NC(=O)CO[*:1])c1ccc(cc1)N1CCOCC1
C/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 Brc1cccc(c1)OC[*:1] C/C(=N/NC(=O)[*:1])c1ccc(cc1)N1CCOCC1
C/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 Brc1cccc(c1)O[*:1] C/C(=N/NC(=O)C[*:1])c1ccc(cc1)N1CCOCC1
Cc1nn(-c2ccccc2)cc1CCCNC(=O)N1CCNC(=O)C1 c1ccc(cc1)[*:1] Cc1nn(cc1CCCNC(=O)N1CCNC(=O)C1)[*:1]
Cc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)C(=O)NCC1(CCOCC1)[*:1]
Cc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1C Cc1ccc(cc1C)[*:1] O=C(NCC1(CCOCC1)c1ccc(F)cc1)C(=O)N[*:1]
O=C(C[C@@H]1CCCO1)Nc1cc(C(F)(F)F)c[nH]c1=O FC(F)(F)[*:1] O=C(C[C@@H]1CCCO1)Nc1cc(c[nH]c1=O)[*:1]
O=C(C[C@@H]1CCCO1)Nc1cc(C(F)(F)F)c[nH]c1=O C1CO[C@@H](C1)[*:1] O=C(C[*:1])Nc1cc(c[nH]c1=O)C(F)(F)F
O=C(C[C@@H]1CCCO1)Nc1cc(C(F)(F)F)c[nH]c1=O C1CO[C@@H](C1)C[*:1] O=C(Nc1cc(c[nH]c1=O)C(F)(F)F)[*:1]
CCO[C@@H](C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CCO[C@@H](C)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CCO[C@@H](C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 CCO[*:1] C[C@@H](C(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
Cn1ncc2c(Nc3cccc([N+](=O)[O-])c3)ncnc21 O=[N+]([O-])[*:1] Cn1ncc2c(ncnc21)Nc1cccc(c1)[*:1]
CC(=O)NC[C@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC(=O)NC[C@H]1CCCN(C1)/C(=C/C#N)[*:1]
CC(=O)NC[C@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)C1 CC(=O)N[*:1] N#C/C=C(\c1ccc(F)cc1)N1CCC[C@@H](C1)C[*:1]
CC(=O)NC[C@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)C1 CC(=O)NC[*:1] N#C/C=C(\c1ccc(F)cc1)N1CCC[C@@H](C1)[*:1]
O=C([C@H]1C=c2cc(Cl)ccc2=[NH+]1)N1CCN([C@@H]2C=CC(=O)N(c3ccccc3)N2)CC1 c1ccc(cc1)[*:1] O=C([C@H]1C=c2cc(Cl)ccc2=[NH+]1)N1CCN(CC1)[C@@H]1C=CC(=O)N(N1)[*:1]
CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3cn4ccc(C)cc4n3)CC2)C1 Cc1ccn2cc(nc2c1)[*:1] CC(=O)N1Cc2ccccc2OC2(CCC(CC2)N(C)C(=O)[*:1])C1
COc1cccc([C@@H](C)CC(=O)NCc2cc3ccccc3[nH]2)c1 COc1cccc(c1)[*:1] C[C@@H](CC(=O)NCc1cc2ccccc2[nH]1)[*:1]
CCc1nc(CNc2ccccc2S[C@H](C)CC#N)no1 CCc1nc(no1)[*:1] C[C@H](CC#N)Sc1ccccc1NC[*:1]
CCc1nc(CNc2ccccc2S[C@H](C)CC#N)no1 N#CC[*:1] CCc1nc(CNc2ccccc2S[C@H](C)[*:1])no1
Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(c1NC(=O)C(=O)N[C@@H](C)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)c1ccccc1 CC(C)[*:1] Cc1cccc(c1NC(=O)C(=O)N[C@@H](C)c1ccccc1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] Cc1cccc(c1NC(=O)C(=O)N[*:1])C(C)C
COc1ccc(CNC(=O)[C@H](NC(=O)[C@H]2C=c3ccccc3=[NH+]2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[C@H]1C=c2ccccc2=[NH+]1)C(=O)NC[*:1]
COc1ccc(CNC(=O)[C@H](NC(=O)[C@H]2C=c3ccccc3=[NH+]2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)CNC(=O)[C@H](NC(=O)[C@H]1C=c2ccccc2=[NH+]1)[*:1]
COc1ccc(CNC(=O)[C@H](NC(=O)[C@H]2C=c3ccccc3=[NH+]2)C(C)C)cc1 COc1ccc(cc1)C[*:1] CC(C)[C@@H](NC(=O)[C@H]1C=c2ccccc2=[NH+]1)C(=O)N[*:1]
COc1cccc(-c2noc(Cn3cc(-c4nc(C)no4)ccc3=O)n2)c1OC Cc1noc(n1)[*:1] COc1cccc(-c2noc(Cn3cc(ccc3=O)[*:1])n2)c1OC
COc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCO[C@@H](C)C3)c2)c1 COc1cccc(c1)C[*:1] C[C@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)N[*:1]
COc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCO[C@@H](C)C3)c2)c1 COc1cccc(c1)[*:1] C[C@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)NC[*:1]
COC[C@@H](NC(=O)c1ccc(C)cn1)c1ccc(F)c(F)c1 COC[*:1] Cc1ccc(nc1)C(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COC[C@@H](NC(=O)c1ccc(C)cn1)c1ccc(F)c(F)c1 Cc1ccc(nc1)[*:1] COC[C@@H](NC(=O)[*:1])c1ccc(F)c(F)c1
Cc1ccccc1[C@@H]([NH2+]CC1(CO)CC1)C(C)C OCC1(CC1)C[*:1] Cc1ccccc1[C@@H]([NH2+][*:1])C(C)C
Cc1ccccc1[C@@H]([NH2+]CC1(CO)CC1)C(C)C OCC1(CC1)[*:1] Cc1ccccc1[C@@H]([NH2+]C[*:1])C(C)C
Cc1ccccc1[C@@H]([NH2+]CC1(CO)CC1)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H]([NH2+]CC1(CO)CC1)[*:1]
COc1ccc([C@H]2CCCCCN2C(=O)Cn2cnc3sccc3c2=O)cc1 COc1ccc(cc1)[*:1] O=C(Cn1cnc2sccc2c1=O)N1CCCCC[C@@H]1[*:1]
C[C@@](O)(CNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1)c1cccs1 C1CC1[*:1] C[C@@](O)(CNC(=O)N[C@@H]1CCC[C@H](C1)[*:1])c1cccs1
C[C@@](O)(CNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1)c1cccs1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)N[C@@H]1CCC[C@@H](C1)C1CC1)[*:1]
OC1(C(F)(F)F)CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] OC1(CC[NH+](CC1)Cc1cc(no1)[*:1])C(F)(F)F
OC1(C(F)(F)F)CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 FC(F)(F)[*:1] OC1(CC[NH+](CC1)Cc1cc(no1)-c1ccccc1)[*:1]
CC(C)[C@@H](CCO)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 CC(C)[C@@H](CCO)[*:1] C[C@@H](NC(=O)N[*:1])c1cc(F)ccc1N1CC[NH+](C)CC1
CC(C)[C@@H](CCO)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 OCC[*:1] CC(C)[C@@H](NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[*:1]
CC(C)[C@@H](CCO)NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 CC(C)[*:1] C[C@@H](NC(=O)N[C@H](CCO)[*:1])c1cc(F)ccc1N1CC[NH+](C)CC1
CCN(C(=O)c1[nH]c(C)c(C(=O)OC)c1C)[C@@H]1CCCC[C@H]1C COC(=O)[*:1] CCN(C(=O)c1[nH]c(C)c(c1C)[*:1])[C@@H]1CCCC[C@H]1C
C[C@H](O)C[C@H](C)CNC(=O)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] C[C@H](O)C[C@H](C)CNC(=O)NC[C@@H]1CCCN(C1)[*:1]
C[C@H](O)C[C@H](C)CNC(=O)NC[C@@H]1CCCN(c2ncccn2)C1 C[C@H](O)[*:1] C[C@H](CNC(=O)NC[C@@H]1CCCN(C1)c1ncccn1)C[*:1]
C[C@H](O)C[C@H](C)CNC(=O)NC[C@@H]1CCCN(c2ncccn2)C1 C[C@H](O)C[*:1] C[C@H](CNC(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CO[C@@]1(C)C[C@H](NC(=O)Nc2ccc(CC(=O)N(C)C)cc2)C1(C)C CN(C)C(=O)C[*:1] CO[C@@]1(C)C[C@H](NC(=O)Nc2ccc(cc2)[*:1])C1(C)C
CO[C@@]1(C)C[C@H](NC(=O)Nc2ccc(CC(=O)N(C)C)cc2)C1(C)C CN(C)C(=O)[*:1] CO[C@@]1(C)C[C@H](NC(=O)Nc2ccc(cc2)C[*:1])C1(C)C
COC(=O)Cn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc3c(cc21)OCCO3 COC(=O)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C(=O)/N=c1\sc2cc3OCCOc3cc2n1C[*:1]
COC(=O)Cn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc3c(cc21)OCCO3 COC(=O)C[*:1] CS(=O)(=O)N1CCC[C@H](C1)C(=O)/N=c1\sc2cc3OCCOc3cc2n1[*:1]
COc1ccccc1/C(N)=N\O N/C(=N/O)[*:1] COc1ccccc1[*:1]
Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)CC(C)C CC(C)C[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)[*:1]
Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)CC(C)C CC(C)C[C@H](C)[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)N[*:1]
Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)CC(C)C CC(C)[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)C[*:1]
COc1cccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 COc1cccc(c1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1cccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)Nc1nccs1 CC(C)[*:1] CN1C[C@@H](CC1=O)C(=O)N[C@@H](C[*:1])C(=O)Nc1nccs1
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)Nc1nccs1 CN1C[C@@H](CC1=O)[*:1] CC(C)C[C@H](NC(=O)[*:1])C(=O)Nc1nccs1
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)Nc1nccs1 CC(C)C[*:1] CN1C[C@@H](CC1=O)C(=O)N[C@H](C(=O)Nc1nccs1)[*:1]
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)N[*:1]
Cc1cc([O-])c(C2=Nc3c(C(N)=O)cnn3[C@H](c3ccc(Cl)c(Cl)c3)C2)c(=O)o1 Clc1ccc(cc1Cl)[*:1] Cc1cc([O-])c(C2C[C@@H](n3ncc(C(N)=O)c3N=2)[*:1])c(=O)o1
Cc1cc([O-])c(C2=Nc3c(C(N)=O)cnn3[C@H](c3ccc(Cl)c(Cl)c3)C2)c(=O)o1 NC(=O)[*:1] Cc1cc([O-])c(C2C[C@@H](c3ccc(Cl)c(Cl)c3)n3ncc(c3N=2)[*:1])c(=O)o1
CCCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1 c1coc(c1)C[*:1] CCCCS(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1 CCC[*:1] O=C(NCc1ccco1)[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
CCCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1 c1coc(c1)[*:1] CCCCS(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CCCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1 CCCC[*:1] O=C(NCc1ccco1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCCC(=O)c1ccn(CC(=O)NCC2CC2)c1 CCCC(=O)[*:1] O=C(Cn1ccc(c1)[*:1])NCC1CC1
CCCC(=O)c1ccn(CC(=O)NCC2CC2)c1 C1CC1[*:1] CCCC(=O)c1ccn(c1)CC(=O)NC[*:1]
CCCC(=O)c1ccn(CC(=O)NCC2CC2)c1 CCC[*:1] O=C(Cn1ccc(c1)C(=O)[*:1])NCC1CC1
CCCC(=O)c1ccn(CC(=O)NCC2CC2)c1 C1CC1C[*:1] CCCC(=O)c1ccn(c1)CC(=O)N[*:1]
CC(C)c1cccc(N2C[C@H](C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2=O)c1 CC(C)c1cccc(c1)[*:1] O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)c1cccc(N2C[C@H](C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2=O)c1 CC(C)[*:1] O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
C[NH2+][C@H](Cc1ccccc1OC)C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] C[NH2+][C@H](Cc1ccccc1OC)C(C)(C)[*:1]
O=C(c1ccccc1OC1CCN(c2nccs2)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1ccc(c(c1)OC1CCN(CC1)c1nccs1)[*:1]
O=C(c1ccccc1OC1CCN(c2nccs2)CC1)N1CCCCC1 c1csc(n1)[*:1] O=C(c1ccccc1OC1CCN(CC1)[*:1])N1CCCCC1
CC[C@H]1CCC[C@@H]([C@H]([NH3+])c2cccc(C(F)(F)F)c2F)C1 FC(F)(F)[*:1] CC[C@H]1CCC[C@H](C1)[C@H]([NH3+])c1cccc(c1F)[*:1]
Cc1ccc(NC(=O)N2CCN(c3ncccc3F)CC2)cc1 Fc1cccnc1[*:1] Cc1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)N2CCN(c3ncccc3F)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)c1ncccc1F
CCn1ncc(Br)c1C(=O)NC[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCn1ncc(Br)c1C(=O)NC[C@@H](C)[*:1]
COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1 COc1cccc(OC)c1[*:1] O=C(NC(=S)Nc1ccc2oc(nc2c1)-c1cccnc1)[*:1]
COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1 c1cncc(c1)[*:1] COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2oc(nc2c1)[*:1]
CC(C)CNC(=O)c1cc(NC(=O)CC2CCCC2)cc2nc([C@H]3CCCO3)n(C)c12 C1CCC(C1)C[*:1] CC(C)CNC(=O)c1cc(cc2nc([C@H]3CCCO3)n(C)c12)NC(=O)[*:1]
CC(C)CNC(=O)c1cc(NC(=O)CC2CCCC2)cc2nc([C@H]3CCCO3)n(C)c12 CC(C)[*:1] Cn1c(nc2cc(cc(C(=O)NC[*:1])c21)NC(=O)CC1CCCC1)[C@H]1CCCO1
CC(C)CNC(=O)c1cc(NC(=O)CC2CCCC2)cc2nc([C@H]3CCCO3)n(C)c12 CC(C)CNC(=O)[*:1] Cn1c(nc2cc(cc(c21)[*:1])NC(=O)CC1CCCC1)[C@H]1CCCO1
CC(C)CNC(=O)c1cc(NC(=O)CC2CCCC2)cc2nc([C@H]3CCCO3)n(C)c12 CC(C)C[*:1] Cn1c(nc2cc(cc(C(=O)N[*:1])c21)NC(=O)CC1CCCC1)[C@H]1CCCO1
CC(C)CNC(=O)c1cc(NC(=O)CC2CCCC2)cc2nc([C@H]3CCCO3)n(C)c12 O=C(CC1CCCC1)N[*:1] CC(C)CNC(=O)c1cc(cc2nc([C@H]3CCCO3)n(C)c12)[*:1]
CC(C)CNC(=O)c1cc(NC(=O)CC2CCCC2)cc2nc([C@H]3CCCO3)n(C)c12 C1CCC(C1)[*:1] CC(C)CNC(=O)c1cc(cc2nc([C@H]3CCCO3)n(C)c12)NC(=O)C[*:1]
COCc1ccc(SC[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 COC[*:1] CS(=O)(=O)N1CCC[C@@H](CSc2ccc(cc2)[*:1])C1
CCOC(=O)c1ccc(NC(=O)N[C@@](C)(CO)C2CC2)cc1 C1CC1[*:1] CCOC(=O)c1ccc(cc1)NC(=O)N[C@@](C)(CO)[*:1]
CCOC(=O)c1ccc(NC(=O)N[C@@](C)(CO)C2CC2)cc1 CCOC(=O)[*:1] C[C@@](CO)(NC(=O)Nc1ccc(cc1)[*:1])C1CC1
CCCn1cc[nH+]c1CN1CCN2C(=O)CN(C)C(=O)[C@@H]2C1 CCC[*:1] CN1CC(=O)N2CCN(Cc3[nH+]ccn3[*:1])C[C@H]2C1=O
Cc1ncn(CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(=O)c1C FC(F)(F)[*:1] Cc1ncn(CCNS(=O)(=O)c2ccc(cc2)O[*:1])c(=O)c1C
Cc1ncn(CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(=O)c1C FC(F)(F)O[*:1] Cc1ncn(CCNS(=O)(=O)c2ccc(cc2)[*:1])c(=O)c1C
COC(=O)[C@@H](CO)NC(=O)N[C@@H]1CCOC1 COC(=O)[*:1] O=C(N[C@@H]1CCOC1)N[C@H](CO)[*:1]
COC(=O)[C@@H](CO)NC(=O)N[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] COC(=O)[C@@H](CO)NC(=O)N[*:1]
BrCCc1cn([C@H]2CCO[C@@]3(CCSC3)C2)nn1 BrCC[*:1] c1c(nnn1[C@H]1CCO[C@@]2(CCSC2)C1)[*:1]
CCC1=NN(C(=O)c2ccc(OC)cc2)[C@@](O)(c2cccc(OC)c2)C1 COc1ccc(cc1)[*:1] CCC1C[C@](O)(c2cccc(c2)OC)N(N=1)C(=O)[*:1]
CCC1=NN(C(=O)c2ccc(OC)cc2)[C@@](O)(c2cccc(OC)c2)C1 COc1cccc(c1)[*:1] CCC1C[C@](O)(N(N=1)C(=O)c1ccc(cc1)OC)[*:1]
CC(C)[C@H](C(=O)Oc1cccc(-n2cccn2)c1)N1CCCC1=O CC(C)[*:1] O=C(Oc1cccc(c1)-n1cccn1)[C@H](N1CCCC1=O)[*:1]
CC(C)[C@H](C(=O)Oc1cccc(-n2cccn2)c1)N1CCCC1=O c1cnn(c1)[*:1] CC(C)[C@H](C(=O)Oc1cccc(c1)[*:1])N1CCCC1=O
CC(C)[C@H](C(=O)Oc1cccc(-n2cccn2)c1)N1CCCC1=O O=C1CCCN1[*:1] CC(C)[C@H](C(=O)Oc1cccc(c1)-n1cccn1)[*:1]
CC1CCN(C(=O)C[C@H](c2ccccc2)C(C)C)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)C[C@H](c1ccccc1)[*:1]
CC1CCN(C(=O)C[C@H](c2ccccc2)C(C)C)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)C[C@H](C(C)C)[*:1]
C[NH2+]C[C@]1(c2ccc(OCC(C)C)cc2)CC[C@H]1C CC(C)[*:1] C[NH2+]C[C@@]1(CC[C@H]1C)c1ccc(cc1)OC[*:1]
C[NH2+]C[C@]1(c2ccc(OCC(C)C)cc2)CC[C@H]1C CC(C)C[*:1] C[NH2+]C[C@@]1(CC[C@H]1C)c1ccc(cc1)O[*:1]
C[NH2+]C[C@]1(c2ccc(OCC(C)C)cc2)CC[C@H]1C CC(C)CO[*:1] C[NH2+]C[C@@]1(CC[C@H]1C)c1ccc(cc1)[*:1]
COc1ccc([C@@H](CC(=O)[O-])C2CCCCC2)cc1Cl O=C([O-])C[*:1] COc1ccc(cc1Cl)[C@@H](C1CCCCC1)[*:1]
COc1ccc([C@@H](CC(=O)[O-])C2CCCCC2)cc1Cl C1CCC(CC1)[*:1] COc1ccc(cc1Cl)[C@@H](CC(=O)[O-])[*:1]
COc1ccc([C@@H](CC(=O)[O-])C2CCCCC2)cc1Cl O=C([O-])[*:1] COc1ccc(cc1Cl)[C@@H](C[*:1])C1CCCCC1
O=C(NC(=S)NCc1ccccc1Cl)C(c1ccccc1)c1ccccc1 Clc1ccccc1C[*:1] O=C(NC(=S)N[*:1])C(c1ccccc1)c1ccccc1
O=C(NC(=S)NCc1ccccc1Cl)C(c1ccccc1)c1ccccc1 Clc1ccccc1[*:1] O=C(NC(=S)NC[*:1])C(c1ccccc1)c1ccccc1
O=C(NC(=S)NCc1ccccc1Cl)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC(=S)NCc1ccccc1Cl)C(c1ccccc1)[*:1]
O=C(NCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccoc1 O=C(N[*:1])c1ccoc1 O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)C[*:1]
O=C(NCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccoc1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCC[C@H](C1)C(=O)N[*:1])c1ccoc1
O=C(NCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccoc1 c1cc(co1)[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)CNC(=O)[*:1]
COc1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)ccn1 C1CC1[*:1] COc1cc(ccn1)CN[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
COc1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)ccn1 FC(F)(F)[*:1] COc1cc(ccn1)CN[C@@H](c1cccc(c1)[*:1])C1CC1
COc1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)ccn1 COc1cc(ccn1)[*:1] FC(F)(F)c1cccc(c1)[C@H](NC[*:1])C1CC1
COc1cccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)c1OC c1ccc(cc1)[*:1] COc1cccc(C(=O)N(C)[C@@H]2CCN(C2=O)[*:1])c1OC
COc1cc(OC)cc([C@@](C)(O)c2cccs2)c1 c1csc(c1)[*:1] COc1cc(cc(c1)[C@@](C)(O)[*:1])OC
CC(C)(COc1cc(F)c([N+](=O)[O-])cc1F)C(=O)NN NNC(=O)[*:1] CC(C)(COc1cc(F)c(cc1F)[N+](=O)[O-])[*:1]
CC(C)(COc1cc(F)c([N+](=O)[O-])cc1F)C(=O)NN O=[N+]([O-])[*:1] CC(C)(COc1cc(F)c(cc1F)[*:1])C(=O)NN
CCCc1cc(=O)[nH]c(S[C@@H]2CC[C@@]([NH2+]C)(C(=O)[O-])C2)n1 CCC[*:1] C[NH2+][C@]1(CC[C@H](C1)Sc1nc(cc(=O)[nH]1)[*:1])C(=O)[O-]
CCCc1cc(=O)[nH]c(S[C@@H]2CC[C@@]([NH2+]C)(C(=O)[O-])C2)n1 O=C([O-])[*:1] CCCc1cc(=O)[nH]c(n1)S[C@@H]1CC[C@](C1)([NH2+]C)[*:1]
CCCN1C(N)=[NH+]C[C@]1(C)c1cc(OC)ccc1OC CCC[*:1] COc1ccc(OC)c(c1)[C@@]1(C)C[NH+]=C(N)N1[*:1]
COCCN1C(=O)c2ccccc2N[C@]1(C)c1ccc2ccccc2c1 COCC[*:1] C[C@@]1(Nc2ccccc2C(=O)N1[*:1])c1ccc2ccccc2c1
COCCN1C(=O)c2ccccc2N[C@]1(C)c1ccc2ccccc2c1 COC[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[*:1])c1ccc2ccccc2c1
Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc2c(c1)OCCCO2 Cc1ccc(Cl)cc1[*:1] O=C(NCc1ccc2OCCCOc2c1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)c1ccc(nn1)-c1ccncc1)[*:1]
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]C(C)C)C2 C=CC[*:1] CC(C)[NH2+][C@H]1CCc2c(C1)c(nn2[*:1])C(=O)N1CCSCC1
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]C(C)C)C2 CC(C)[*:1] C=CCn1nc(C(=O)N2CCSCC2)c2C[C@H](CCc21)[NH2+][*:1]
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]C(C)C)C2 O=C(N1CCSCC1)[*:1] C=CCn1nc(c2C[C@H](CCc21)[NH2+]C(C)C)[*:1]
COc1cccc(NC(=O)C[NH+]2CCC(Nc3nc(C)c(C)c(=O)[nH]3)CC2)c1 Cc1nc([nH]c(=O)c1C)[*:1] COc1cccc(c1)NC(=O)C[NH+]1CCC(CC1)N[*:1]
COc1cccc(NC(=O)C[NH+]2CCC(Nc3nc(C)c(C)c(=O)[nH]3)CC2)c1 COc1cccc(c1)[*:1] Cc1nc(NC2CC[NH+](CC2)CC(=O)N[*:1])[nH]c(=O)c1C
CCCCSc1nnc(NC(=O)CC(C)C)s1 CC(C)[*:1] CCCCSc1nnc(NC(=O)C[*:1])s1
CCCCSc1nnc(NC(=O)CC(C)C)s1 CCCC[*:1] CC(C)CC(=O)Nc1nnc(S[*:1])s1
CCCCSc1nnc(NC(=O)CC(C)C)s1 CCCCS[*:1] CC(C)CC(=O)Nc1nnc(s1)[*:1]
CCCCSc1nnc(NC(=O)CC(C)C)s1 CCC[*:1] CC(C)CC(=O)Nc1nnc(SC[*:1])s1
CCCCSc1nnc(NC(=O)CC(C)C)s1 CC(C)C[*:1] CCCCSc1nnc(NC(=O)[*:1])s1
CCc1ccccc1NC(=O)c1c(N2CCCC2=O)c2cc(F)ccc2n1C CCc1ccccc1[*:1] Cn1c(C(=O)N[*:1])c(c2cc(F)ccc21)N1CCCC1=O
CCc1ccccc1NC(=O)c1c(N2CCCC2=O)c2cc(F)ccc2n1C O=C1CCCN1[*:1] CCc1ccccc1NC(=O)c1c(c2cc(F)ccc2n1C)[*:1]
Cc1cc(O)nc(SCC(=O)Nc2ccccc2-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(O)nc(n1)SCC(=O)Nc1ccccc1[*:1]
Cc1cc(O)nc(SCC(=O)Nc2ccccc2-c2ccccc2)n1 Cc1cc(O)nc(n1)[*:1] O=C(CS[*:1])Nc1ccccc1-c1ccccc1
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)c(Br)c1 O=C([O-])[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)Nc1cc(ccc1C)[*:1]
COC(=O)[C@H](NC(=O)c1cccc2ncccc12)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)c1cccc2ncccc12)[*:1]
COC(=O)[C@H](NC(=O)c1cccc2ncccc12)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)c1cccc2ncccc12)[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)NCCC(=O)Nc1cccc(C)n1 CCS[*:1] Cc1cccc(n1)NC(=O)CCNC(=O)N[C@H]1CCCC[C@@H]1[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)NCCC(=O)Nc1cccc(C)n1 Cc1cccc(n1)[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)NCCC(=O)N[*:1]
CC(C)Cc1nnc(NC(=O)c2ccco2)s1 c1coc(c1)[*:1] CC(C)Cc1nnc(NC(=O)[*:1])s1
CC(C)Cc1nnc(NC(=O)c2ccco2)s1 CC(C)C[*:1] O=C(Nc1nnc(s1)[*:1])c1ccco1
CC(C)Cc1nnc(NC(=O)c2ccco2)s1 CC(C)[*:1] O=C(Nc1nnc(C[*:1])s1)c1ccco1
Cc1cc[n+]([C@@H]2[C@@H](c3ccc(Br)cc3)C(C#N)=C(C(C#N)C#N)N[C@]2(O)C2CC2)cc1 C1CC1[*:1] Cc1cc[n+](cc1)[C@@H]1[C@H](C(C#N)=C(N[C@@]1(O)[*:1])C(C#N)C#N)c1ccc(Br)cc1
Cc1cc[n+]([C@@H]2[C@@H](c3ccc(Br)cc3)C(C#N)=C(C(C#N)C#N)N[C@]2(O)C2CC2)cc1 Cc1cc[n+](cc1)[*:1] N#CC1=C(N[C@](O)(C2CC2)[C@@H]([C@H]1c1ccc(Br)cc1)[*:1])C(C#N)C#N
Cc1cc[n+]([C@@H]2[C@@H](c3ccc(Br)cc3)C(C#N)=C(C(C#N)C#N)N[C@]2(O)C2CC2)cc1 N#CC(C#N)[*:1] Cc1cc[n+](cc1)[C@@H]1[C@H](C(C#N)=C(N[C@]1(O)C1CC1)[*:1])c1ccc(Br)cc1
Cc1cc[n+]([C@@H]2[C@@H](c3ccc(Br)cc3)C(C#N)=C(C(C#N)C#N)N[C@]2(O)C2CC2)cc1 Brc1ccc(cc1)[*:1] Cc1cc[n+](cc1)[C@@H]1[C@@H](C(C#N)=C(N[C@]1(O)C1CC1)C(C#N)C#N)[*:1]
Cc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccco1 Cc1ccc(Cl)cc1[*:1] O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccco1)N[*:1]
Cc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)[*:1]
Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1c(C)nn(-c2ccccc2)c1C
Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1S(=O)(=O)N1CCOCC1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)NC(=O)c1c(C)nn(c1C)[*:1]
Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1 Cc1ccc(cc1)C(=O)[*:1] Cc1ccccc1C(=O)NN1C[C@@H](CC1=O)C(=O)O[C@H](C)[*:1]
Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)C(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(C1)NC(=O)[*:1]
Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1C(=O)NN1C[C@@H](CC1=O)C(=O)O[C@H](C)C(=O)[*:1]
CS[C@@H]1CC[C@H](NC(=O)NCCCc2c(C)noc2C)C1 Cc1noc(C)c1[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)NCCC[*:1]
CC(=O)NCc1ccc(/C([O-])=N/S(=O)(=O)c2cccs2)s1 CC(=O)N[*:1] O=S(=O)(/N=C(\[O-])c1ccc(C[*:1])s1)c1cccs1
CC(=O)NCc1ccc(/C([O-])=N/S(=O)(=O)c2cccs2)s1 c1csc(c1)[*:1] CC(=O)NCc1ccc(s1)/C([O-])=N/S(=O)(=O)[*:1]
CC(=O)NCc1ccc(/C([O-])=N/S(=O)(=O)c2cccs2)s1 CC(=O)NC[*:1] O=S(=O)(/N=C(\[O-])c1ccc(s1)[*:1])c1cccs1
COCc1ccccc1CNC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] COCc1ccccc1CNC(=O)N[C@@H](C)c1cnn(c1C)[*:1]
COCc1ccccc1CNC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C COC[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@H](C)NC(=O)NCc1ccccc1[*:1]
COCc1ccccc1CNC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C COCc1ccccc1[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@H](C)NC(=O)NC[*:1]
CCOC(=O)C1=C2C(=O)N=C(CN(C)Cc3ccccc3C)N=C2O[C@H]1C Cc1ccccc1C[*:1] CCOC(=O)C1=C2C(=O)N=C(CN(C)[*:1])N=C2O[C@H]1C
CCOC(=O)C1=C2C(=O)N=C(CN(C)Cc3ccccc3C)N=C2O[C@H]1C Cc1ccccc1[*:1] CCOC(=O)C1=C2C(=O)N=C(CN(C)C[*:1])N=C2O[C@H]1C
CCOC(=O)C1=C2C(=O)N=C(CN(C)Cc3ccccc3C)N=C2O[C@H]1C CCOC(=O)[*:1] Cc1ccccc1CN(C)CC1=NC(=O)C2C(=N1)O[C@@H](C)C=2[*:1]
CCCCn1nc(C)c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1Cl C1CO[C@H](C1)C[*:1] CCCCn1nc(C)c(/C=C(\C#N)C(=O)N[*:1])c1Cl
CCCCn1nc(C)c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1Cl C1CO[C@H](C1)[*:1] CCCCn1nc(C)c(/C=C(\C#N)C(=O)NC[*:1])c1Cl
CCCCn1nc(C)c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1Cl CCC[*:1] Cc1nn(C[*:1])c(Cl)c1/C=C(\C#N)C(=O)NC[C@H]1CCCO1
CCCCn1nc(C)c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1Cl CCCC[*:1] Cc1nn(c(Cl)c1/C=C(\C#N)C(=O)NC[C@H]1CCCO1)[*:1]
Cc1nnc(CN(Cc2cnc(C3CCCC3)s2)C(C)(C)C)o1 Cc1nnc(o1)[*:1] CC(C)(C)N(Cc1cnc(s1)C1CCCC1)C[*:1]
Cc1nnc(CN(Cc2cnc(C3CCCC3)s2)C(C)(C)C)o1 C1CCC(C1)[*:1] Cc1nnc(CN(Cc2cnc(s2)[*:1])C(C)(C)C)o1
Cc1nnc(CN(Cc2cnc(C3CCCC3)s2)C(C)(C)C)o1 CC(C)(C)[*:1] Cc1nnc(CN(Cc2cnc(s2)C2CCCC2)[*:1])o1
Cc1nnc(CN(Cc2cnc(C3CCCC3)s2)C(C)(C)C)o1 Cc1nnc(C[*:1])o1 CC(C)(C)N(Cc1cnc(s1)C1CCCC1)[*:1]
CCOC(=O)CN(C)C(=O)[C@@H](C)n1nc(C)cc1C CCOC(=O)[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)N(C)C[*:1]
CCOC(=O)CN(C)C(=O)[C@@H](C)n1nc(C)cc1C CCOC(=O)C[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)N(C)[*:1]
COc1ccc(OC(F)F)c(CN2CCN(c3ncccc3F)CC2)c1 FC(F)O[*:1] COc1ccc(c(c1)CN1CCN(CC1)c1ncccc1F)[*:1]
COc1ccc(OC(F)F)c(CN2CCN(c3ncccc3F)CC2)c1 FC(F)[*:1] COc1ccc(O[*:1])c(c1)CN1CCN(CC1)c1ncccc1F
COc1ccc(OC(F)F)c(CN2CCN(c3ncccc3F)CC2)c1 Fc1cccnc1[*:1] COc1ccc(OC(F)F)c(c1)CN1CCN(CC1)[*:1]
Cc1cc(F)c([C@@](C)(C(=O)[O-])N2CC[NH2+]CC2)cc1F O=C([O-])[*:1] Cc1cc(F)c(cc1F)[C@@](C)(N1CC[NH2+]CC1)[*:1]
CC[C@H](C)C(=O)NC[C@H](CCO)c1ccccc1 CC[C@H](C)[*:1] O=C(NC[C@H](CCO)c1ccccc1)[*:1]
CC[C@H](C)C(=O)NC[C@H](CCO)c1ccccc1 OCC[*:1] CC[C@H](C)C(=O)NC[C@H](c1ccccc1)[*:1]
CC[C@H](C)C(=O)NC[C@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)C(=O)NC[C@H](CCO)[*:1]
COc1ccc(Cl)cc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 COc1ccc(Cl)cc1[*:1] O=C(CN[*:1])N1N=C(C[C@H]1c1ccco1)c1cccs1
COc1ccc(Cl)cc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 c1coc(c1)[*:1] COc1ccc(Cl)cc1NCC(=O)N1N=C(C[C@@H]1[*:1])c1cccs1
COc1ccc(Cl)cc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 c1csc(c1)[*:1] COc1ccc(Cl)cc1NCC(=O)N1N=C(C[C@H]1c1ccco1)[*:1]
CC(C)(C)[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)[*:1]
CC(C)(C)[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NC(=O)c1c(O)cc(Cl)cc1Cl)[*:1]
Cc1nc(NCc2ccccc2Cl)c2c3c(sc2n1)CCC3 Clc1ccccc1[*:1] Cc1nc(NC[*:1])c2c3CCCc3sc2n1
CCC(CC)[C@@H](O)CNC(=O)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] CCC(CC)[C@@H](O)CNC(=O)c1cc(ccc1Cl)[*:1]
CCC(CC)[C@@H](O)CNC(=O)c1cc(N2CCCC2=O)ccc1Cl CCC(CC)[*:1] O=C(NC[C@H](O)[*:1])c1cc(ccc1Cl)N1CCCC1=O
Cc1ccc(NC(=O)CN2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)CCc1ncc(o1)-c1ccc(F)cc1F)N[*:1]
Cc1ccc(NC(=O)CN2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)CC2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C(CCc1ncc(o1)-c1ccc(F)cc1F)N1CCN(CC1)C[*:1]
Cc1ccc(NC(=O)CN2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)CC2)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)NC(=O)CN1CCN(CC1)C(=O)CCc1ncc(o1)[*:1]
Cc1ccc(NC(=O)CN2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)CC2)cc1 Cc1ccc(cc1)NC(=O)C[*:1] O=C(CCc1ncc(o1)-c1ccc(F)cc1F)N1CCN(CC1)[*:1]
CCc1cnc(CNC(=O)Nc2cccc([C@@H](C)OC)c2)s1 CCc1cnc(s1)[*:1] CO[C@H](C)c1cccc(c1)NC(=O)NC[*:1]
CCc1cnc(CNC(=O)Nc2cccc([C@@H](C)OC)c2)s1 CO[C@H](C)[*:1] CCc1cnc(CNC(=O)Nc2cccc(c2)[*:1])s1
CC[C@@H](Br)CC[C@@H]1CCOC2(CCOCC2)C1 CC[C@@H](Br)[*:1] C1CC2(CCO1)C[C@@H](CCO2)CC[*:1]
CC[C@@H](Br)CC[C@@H]1CCOC2(CCOCC2)C1 CC[C@@H](Br)C[*:1] C1CC2(CCO1)C[C@@H](CCO2)C[*:1]
CCc1ccc(CN(C)C(=O)CSc2nnnn2C)cc1 Cn1nnnc1[*:1] CCc1ccc(cc1)CN(C)C(=O)CS[*:1]
CCc1ccc(CN(C)C(=O)CSc2nnnn2C)cc1 Cn1nnnc1S[*:1] CCc1ccc(cc1)CN(C)C(=O)C[*:1]
CN(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(Cl)cc1Cl)[*:1]
COc1ccc(C(=O)c2sc(Nc3cc(C)ccc3OC)nc2N)cc1 COc1ccc(cc1)[*:1] COc1ccc(C)cc1Nc1nc(N)c(s1)C(=O)[*:1]
O=C([O-])CCC(=O)c1c[nH]c2ccccc12 O=C([O-])CC[*:1] O=C(c1c[nH]c2ccccc12)[*:1]
O=C([O-])CCC(=O)c1c[nH]c2ccccc12 O=C([O-])[*:1] O=C(CC[*:1])c1c[nH]c2ccccc12
O=C([O-])CCC(=O)c1c[nH]c2ccccc12 O=C([O-])C[*:1] O=C(C[*:1])c1c[nH]c2ccccc12
CCc1nc(CC(=O)NC[C@H](C)Oc2ccc(F)cc2)cs1 CCc1nc(cs1)[*:1] C[C@@H](CNC(=O)C[*:1])Oc1ccc(F)cc1
CCc1nc(CC(=O)NC[C@H](C)Oc2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] CCc1nc(cs1)CC(=O)NC[C@H](C)O[*:1]
COc1ccccc1O[C@H](C)CNC(=O)C1=NO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] COc1ccccc1O[C@H](C)CNC(=O)C1C[C@H](ON=1)[*:1]
COc1ccccc1O[C@H](C)CNC(=O)C1=NO[C@@H](c2ccccc2)C1 COc1ccccc1[*:1] C[C@H](CNC(=O)C1C[C@@H](ON=1)c1ccccc1)O[*:1]
C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)NC(N)=O NC(=O)NC(=O)C[*:1] C[C@@H]1CO[C@@H](CN1[*:1])c1ccccc1Cl
C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)NC(N)=O Clc1ccccc1[*:1] C[C@@H]1CO[C@H](CN1CC(=O)NC(N)=O)[*:1]
C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@@H]1CO[C@@H](CN1C[*:1])c1ccccc1Cl
CC(=O)Nc1ccc(/C(C)=N/Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1 C1CCN(CC1)[*:1] CC(=O)Nc1ccc(cc1)/C(C)=N/Nc1nc(nc(n1)[*:1])N1CCOCC1
CC(=O)Nc1ccc(/C(C)=N/Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC(=NNc1nc(nc(n1)N1CCOCC1)N1CCCCC1)[*:1]
CC(=O)Nc1ccc(/C(C)=N/Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1 C1CN(CCO1)[*:1] CC(=O)Nc1ccc(cc1)/C(C)=N/Nc1nc(nc(n1)[*:1])N1CCCCC1
CC(=O)Nc1ccc(/C(C)=N/Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1 CC(=O)N[*:1] C/C(=N\Nc1nc(nc(n1)N1CCOCC1)N1CCCCC1)c1ccc(cc1)[*:1]
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 c1ccc(nc1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1cccc(c1)Oc1ccccc1)[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(c2)Oc2ccccc2)N1c1ccccn1
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(c1)O[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 c1ccc(cc1)O[*:1] O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(c1)[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@H](c2cccc(c2)Oc2ccccc2)N1c1ccccn1)[*:1]
CC(C)(C)[C@@H]1CCC2=C3C(=O)N=C(CCC(=O)NCc4ccc(F)cc4Cl)N=C3S[C@H]2C1 CC(C)(C)[*:1] O=C(CCC1=NC(=O)C2C(=N1)S[C@H]1C[C@@H](CCC=21)[*:1])NCc1ccc(F)cc1Cl
CC(C)(C)[C@@H]1CCC2=C3C(=O)N=C(CCC(=O)NCc4ccc(F)cc4Cl)N=C3S[C@H]2C1 Fc1ccc(c(Cl)c1)[*:1] CC(C)(C)[C@@H]1CCC2=C3C(=O)N=C(CCC(=O)NC[*:1])N=C3S[C@H]2C1
CC(C)(C)[C@@H]1CCC2=C3C(=O)N=C(CCC(=O)NCc4ccc(F)cc4Cl)N=C3S[C@H]2C1 Fc1ccc(C[*:1])c(Cl)c1 CC(C)(C)[C@@H]1CCC2=C3C(=O)N=C(CCC(=O)N[*:1])N=C3S[C@H]2C1
Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1C Cc1ccc(cc1C)[*:1] C[C@H]1CN(Cc2csc(n2)NC(=O)[*:1])C[C@H](C)O1
CCNc1nc(N2CCCCC2)nc2c1cnn2C CCN[*:1] Cn1ncc2c(nc(nc21)N1CCCCC1)[*:1]
CCNc1nc(N2CCCCC2)nc2c1cnn2C C1CCN(CC1)[*:1] CCNc1nc(nc2c1cnn2C)[*:1]
O=[N+]([O-])c1cccc(-c2cnc(CCSc3nncs3)o2)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])-c1cnc(CCSc2nncs2)o1
O=[N+]([O-])c1cccc(-c2cnc(CCSc3nncs3)o2)c1 c1nnc(s1)[*:1] O=[N+]([O-])c1cccc(c1)-c1cnc(CCS[*:1])o1
O=[N+]([O-])c1cccc(-c2cnc(CCSc3nncs3)o2)c1 c1nnc(SC[*:1])s1 O=[N+]([O-])c1cccc(c1)-c1cnc(C[*:1])o1
O=[N+]([O-])c1cccc(-c2cnc(CCSc3nncs3)o2)c1 c1nnc(S[*:1])s1 O=[N+]([O-])c1cccc(c1)-c1cnc(CC[*:1])o1
COc1cccc(C(=O)N2CCN(Cc3ccsc3)CC2)c1OC c1cc(cs1)C[*:1] COc1cccc(C(=O)N2CCN(CC2)[*:1])c1OC
COc1cccc(C(=O)N2CCN(Cc3ccsc3)CC2)c1OC c1cc(cs1)[*:1] COc1cccc(C(=O)N2CCN(CC2)C[*:1])c1OC
CCOC(=O)N1CCN(C(=O)/C=C/c2ccccc2Br)CC1 Brc1ccccc1[*:1] CCOC(=O)N1CCN(CC1)C(=O)C=C[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@@H]1CCN(C1=O)[*:1]
COc1ccc(CN2CCO[C@H](Cc3ccc(F)cc3)C2)cc1C(=O)[O-] Fc1ccc(cc1)[*:1] COc1ccc(cc1C(=O)[O-])CN1CCO[C@@H](C1)C[*:1]
COc1ccc(CN2CCO[C@H](Cc3ccc(F)cc3)C2)cc1C(=O)[O-] O=C([O-])[*:1] COc1ccc(cc1[*:1])CN1CCO[C@H](Cc2ccc(F)cc2)C1
COc1ccc(CN2CCO[C@H](Cc3ccc(F)cc3)C2)cc1C(=O)[O-] Fc1ccc(cc1)C[*:1] COc1ccc(cc1C(=O)[O-])CN1CCO[C@H](C1)[*:1]
CCCn1cc[nH+]c1C[C@](C)(N)c1ccccc1Br CCC[*:1] C[C@](N)(Cc1[nH+]ccn1[*:1])c1ccccc1Br
CC(C)(C)C1=C[C@@]2(O)OCCN(CCO)C2=CC1=O CC(C)(C)[*:1] O=C1C=C2N(CCO)CCO[C@]2(O)C=C1[*:1]
CC(C)(C)C1=C[C@@]2(O)OCCN(CCO)C2=CC1=O OCC[*:1] CC(C)(C)C1=C[C@@]2(O)OCCN(C2=CC1=O)[*:1]
C[C@@](CC(=O)N[C@@H]1CCS(=O)(=O)C1)(C(=O)[O-])c1ccccc1 O=S1(=O)CC[C@H](C1)[*:1] C[C@@](CC(=O)N[*:1])(C(=O)[O-])c1ccccc1
C[C@@](CC(=O)N[C@@H]1CCS(=O)(=O)C1)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@@](CC(=O)N[C@@H]1CCS(=O)(=O)C1)(C(=O)[O-])[*:1]
C[C@@](CC(=O)N[C@@H]1CCS(=O)(=O)C1)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] C[C@@](CC(=O)N[C@@H]1CCS(=O)(=O)C1)(c1ccccc1)[*:1]
CC(C)n1cc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccc3nsnc3c2)cn1 c1cc2nsnc2cc1C[*:1] CC(C)n1cc(cn1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1[*:1]
CC(C)n1cc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccc3nsnc3c2)cn1 CC(C)[*:1] c1ccc2=C3CCN(Cc4ccc5nsnc5c4)[C@H](c4cnn(c4)[*:1])[C@H]3[NH+]=c2c1
CC(C)n1cc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccc3nsnc3c2)cn1 c1cc2nsnc2cc1[*:1] CC(C)n1cc(cn1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C[*:1]
CC(C)n1cc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccc3nsnc3c2)cn1 CC(C)n1cc(cn1)[*:1] c1ccc2=C3CCN(Cc4ccc5nsnc5c4)[C@@H]([C@H]3[NH+]=c2c1)[*:1]
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CC1(Cl)Cl O=C(N[*:1])[C@@H]1CC1(Cl)Cl O=S(=O)(c1cc(ccc1Cl)[*:1])N1CCCCC1
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2oc(C3CC3)nc2c1 C1CC1[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2oc(nc2c1)[*:1]
CCC[C@H]1C[NH2+]CCC12CCC2 CCC[*:1] C1CC2(C1)CC[NH2+]C[C@@H]2[*:1]
Cc1c(C(=O)N2CCN(c3ccccc3)C(=O)C2)sc2ncnc(NC[C@@H]3CCCO3)c12 c1ccc(cc1)[*:1] Cc1c(sc2ncnc(NC[C@@H]3CCCO3)c12)C(=O)N1CCN(C(=O)C1)[*:1]
Cc1cccc(CN[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CN[C@@H]1CCCN(C[*:1])C1=O
Cc1cccc(CN[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)CN[C@@H]1CCCN(C1=O)[*:1]
Cc1cccc(CN[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 Cc1cccc(c1)[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)NC[*:1]
Cc1cnc([C@@H](NC(=O)N2CCOCC2)C2CC2)s1 Cc1cnc(s1)[*:1] O=C(N[C@@H](C1CC1)[*:1])N1CCOCC1
Cc1cnc([C@@H](NC(=O)N2CCOCC2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)N1CCOCC1)[*:1]
O=C(Cn1cc(-n2cccc2)cn1)NCCOc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] O=C(Cn1cc(cn1)-n1cccc1)NCC[*:1]
O=C(Cn1cc(-n2cccc2)cn1)NCCOc1ccc(F)cc1 c1ccn(c1)[*:1] O=C(Cn1cc(cn1)[*:1])NCCOc1ccc(F)cc1
O=C(Cn1cc(-n2cccc2)cn1)NCCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1cc(cn1)-n1cccc1)NCCO[*:1]
COc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccc(F)cc3)C(=O)N3CCOCC3)CC2)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)[C@H](NC(=O)c1ccc(F)cc1)[*:1]
COc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccc(F)cc3)C(=O)N3CCOCC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](C(=O)N1CCOCC1)C1CCN(CC1)C(=O)[*:1])c1ccc(F)cc1
COc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccc(F)cc3)C(=O)N3CCOCC3)CC2)cc1 O=C(N[*:1])c1ccc(F)cc1 COc1ccc(cc1)C(=O)N1CCC(CC1)[C@H](C(=O)N1CCOCC1)[*:1]
COc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccc(F)cc3)C(=O)N3CCOCC3)CC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)[C@H](NC(=O)[*:1])C(=O)N1CCOCC1
N#Cc1cccc(OCCCSc2ncn[nH]2)c1 c1n[nH]c(n1)[*:1] N#Cc1cccc(c1)OCCCS[*:1]
N#Cc1cccc(OCCCSc2ncn[nH]2)c1 c1n[nH]c(n1)S[*:1] N#Cc1cccc(c1)OCCC[*:1]
C[C@]1(c2ccccc2)O[C@@H]1n1nnc2ccccc21 c1ccc(cc1)[*:1] C[C@@]1(O[C@@H]1n1nnc2ccccc21)[*:1]
CC(C)c1ccccc1NC(=O)CSC(=S)N(C)C CC(C)[*:1] CN(C)C(=S)SCC(=O)Nc1ccccc1[*:1]
CC(C)c1ccccc1NC(=O)CSC(=S)N(C)C CN(C)C(=S)S[*:1] CC(C)c1ccccc1NC(=O)C[*:1]
CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(C)c(Br)cc1C CCN(C)C(=O)[*:1] Cc1cc(C(=O)N2CSC[C@@H]2[*:1])c(C)cc1Br
COCc1ncc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cn1 COC[*:1] Fc1ccc(cc1F)-c1noc2CCN(Cc3cnc(nc3)[*:1])Cc12
COCc1ncc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cn1 COCc1ncc(cn1)[*:1] Fc1ccc(cc1F)-c1noc2CCN(Cc12)C[*:1]
COCc1ncc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cn1 Fc1ccc(cc1F)[*:1] COCc1ncc(cn1)CN1CCc2onc(c2C1)[*:1]
COc1cc(CC(=O)N2CCOC[C@@H]2C2CC2)ccc1C C1CC1[*:1] COc1cc(ccc1C)CC(=O)N1CCOC[C@H]1[*:1]
COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1 C1CC1[*:1] COc1ccccc1-c1ccc(cc1)[C@H](C)[NH2+][C@@H]1CC(=O)N(C1)[*:1]
COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1 COc1ccccc1[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C1)C1CC1)c1ccc(cc1)[*:1]
CC[C@@H](C)CN(CC)C(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] CC[C@@H](C)CN(CC)C(=O)c1cccc(c1F)[*:1]
CC[C@@H](C)CN(CC)C(=O)c1cccc(C(F)(F)F)c1F CC[C@@H](C)C[*:1] CCN(C(=O)c1cccc(c1F)C(F)(F)F)[*:1]
CC[C@@H](C)CN(CC)C(=O)c1cccc(C(F)(F)F)c1F CC[C@@H](C)[*:1] CCN(C[*:1])C(=O)c1cccc(c1F)C(F)(F)F
Cc1nn(C)c(C)c1-c1ccnc(N[C@@H]2CCc3ccccc32)n1 Cc1nn(C)c(C)c1[*:1] c1ccc2c(c1)CC[C@H]2Nc1nccc(n1)[*:1]
CCC[C@@H](CC)[NH2+]C[C@@H]1CN(C)CCO1 CCC[*:1] CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1cnc(OCC)c(Cl)c1 CCO[*:1] C=CCS(=O)(=O)/N=C(\[O-])c1cnc(c(Cl)c1)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1cnc(OCC)c(Cl)c1 C=CC[*:1] CCOc1ncc(cc1Cl)/C([O-])=N/S(=O)(=O)[*:1]
Cc1cc(NC(=O)[C@@H](C)N2CCNC(=O)C2)on1 Cc1cc(on1)[*:1] C[C@H](C(=O)N[*:1])N1CCNC(=O)C1
CCCc1noc([C@@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 CCC[*:1] C[C@@H](Sc1nc2ccsc2c(=O)n1-c1ccccc1)c1nc(no1)[*:1]
CCCc1noc([C@@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 c1ccc(cc1)[*:1] CCCc1noc(n1)[C@@H](C)Sc1nc2ccsc2c(=O)n1[*:1]
CCCc1noc([C@@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 CCCc1noc(n1)[*:1] C[C@@H](Sc1nc2ccsc2c(=O)n1-c1ccccc1)[*:1]
Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1C Cc1ccccc1[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)[*:1]
COC(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 Brc1ccccc1[*:1] COC(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
COC(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 COC(=O)[*:1] O=C1C[C@@H](CN1c1ccccc1Br)c1nc2ccccc2n1C[*:1]
COC(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 COC(=O)C[*:1] O=C1C[C@@H](CN1c1ccccc1Br)c1nc2ccccc2n1[*:1]
C[C@@H](Oc1ccccc1)C(=O)OCC(=O)NC1CCCCC1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)OCC(=O)NC1CCCCC1
C[C@@H](Oc1ccccc1)C(=O)OCC(=O)NC1CCCCC1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)OCC(=O)NC1CCCCC1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)OCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](Oc1ccccc1)C(=O)OCC(=O)N[*:1]
CCN(Cc1ccccc1C)C(=O)c1cc(C(C)C)nn1C CC(C)[*:1] CCN(Cc1ccccc1C)C(=O)c1cc(nn1C)[*:1]
CCN(Cc1ccccc1C)C(=O)c1cc(C(C)C)nn1C Cc1ccccc1[*:1] CCN(C[*:1])C(=O)c1cc(nn1C)C(C)C
CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 O=[N+]([O-])[*:1] CNc1ccc(cc1C(=O)N1CCN(CC1)S(=O)(=O)N(C)C)[*:1]
Cc1cc(=O)[nH]c(=O)n1COCCOCc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)[nH]c(=O)n1COCCOC[*:1]
Cc1cc(=O)[nH]c(=O)n1COCCOCc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(=O)[nH]c(=O)n1COCCO[*:1]
Cc1cscc1CNS(=O)(=O)c1ccc(NN)nc1 Cc1cscc1[*:1] NNc1ccc(cn1)S(=O)(=O)NC[*:1]
CCOC(=O)c1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(C)cc3)cc2c1=O CCOC(=O)[*:1] Cc1ccc(cc1)-c1cc2c(=O)n(ccn2n1)CC(=O)Nc1ccccc1[*:1]
CCOC(=O)c1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(C)cc3)cc2c1=O Cc1ccc(cc1)[*:1] CCOC(=O)c1ccccc1NC(=O)Cn1ccn2nc(cc2c1=O)[*:1]
CC[C@@H](C(=O)c1ccc2c(c1)C[C@H](C)O2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)c1ccc2O[C@@H](C)Cc2c1)[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 C1CC1[*:1] CC(C)CC[C@@](C)(O)CNC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 CC(C)CC[*:1] C[C@@](O)(CNC(=O)[C@H]1CCCN(C1)C(=O)C1CC1)[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 CC(C)[*:1] C[C@@](O)(CC[*:1])CNC(=O)[C@H]1CCCN(C1)C(=O)C1CC1
CC(C)CC[C@@](C)(O)CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 CC(C)C[*:1] C[C@](O)(CNC(=O)[C@H]1CCCN(C1)C(=O)C1CC1)C[*:1]
Cc1ccc(-c2nnc(SCC(=O)NC[C@@H]3CCCO3)n2N)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCC(=O)NC[C@@H]1CCCO1
Cc1ccc(-c2nnc(SCC(=O)NC[C@@H]3CCCO3)n2N)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)NC[*:1])n1N
Cc1ccc(-c2nnc(SCC(=O)NC[C@@H]3CCCO3)n2N)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N[*:1])n1N
CCOC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 CCOC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
CCOC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 Clc1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)[*:1])sc2CCCCc21
CC(C)(C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F CC(C)(C)[*:1] O=C(Nc1cc(ccc1F)N1CCCS1(=O)=O)[*:1]
CC(C)(C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F CC(C)(C)C(=O)N[*:1] O=S1(=O)CCCN1c1ccc(F)c(c1)[*:1]
CC(C)(C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F O=S1(=O)CCCN1[*:1] CC(C)(C)C(=O)Nc1cc(ccc1F)[*:1]
C[C@@H](NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C=C1CN(C1)C(=O)OC(C)(C)C)C(C)(C)[*:1]
C[C@@H](NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)C(C)(C)c1ccccc1 CC(C)(C)[*:1] C[C@@H](NC(=O)C=C1CN(C1)C(=O)O[*:1])C(C)(C)c1ccccc1
C[C@H](CC(=O)N[C@@H](C#N)c1cccc(Cl)c1)C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CC(=O)N[C@@H](C#N)c1cccc(Cl)c1)C(=O)[*:1]
C[C@H](CC(=O)N[C@@H](C#N)c1cccc(Cl)c1)C(=O)c1cccc(F)c1 Clc1cccc(c1)[*:1] C[C@H](CC(=O)N[C@@H](C#N)[*:1])C(=O)c1cccc(F)c1
Cc1c(C(=O)NC(c2ccccc2)c2ccccc2)nnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(nnn1-c1ccccc1)C(=O)NC(c1ccccc1)[*:1]
Cc1c(C(=O)NC(c2ccccc2)c2ccccc2)nnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)NC(c1ccccc1)c1ccccc1
C[C@H](NC(=O)CSc1nnc2c3ccccc3n(C)c2n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nnc2c3ccccc3n(C)c2n1)[*:1]
C[C@H](NC(=O)CSc1nnc2c3ccccc3n(C)c2n1)c1ccccc1 C[C@H](c1ccccc1)[*:1] Cn1c2ccccc2c2nnc(nc21)SCC(=O)N[*:1]
COc1ccc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)nn1 COc1ccc(nn1)[*:1] O=C(N(Cc1ccccc1C(F)(F)F)C1CC1)[*:1]
COc1ccc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)nn1 C1CC1[*:1] COc1ccc(nn1)C(=O)N(Cc1ccccc1C(F)(F)F)[*:1]
COc1ccc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)nn1 FC(F)(F)[*:1] COc1ccc(nn1)C(=O)N(Cc1ccccc1[*:1])C1CC1
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]3CCCc4cccc2c43)cc1 CC(=O)N[*:1] C[C@@H]([NH2+][C@H]1C[C@@H]2CCCc3cccc1c32)c1ccc(cc1)CC[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]3CCCc4cccc2c43)cc1 CC(=O)NC[*:1] C[C@@H]([NH2+][C@H]1C[C@@H]2CCCc3cccc1c32)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]3CCCc4cccc2c43)cc1 CC(=O)NCC[*:1] C[C@@H]([NH2+][C@H]1C[C@@H]2CCCc3cccc1c32)c1ccc(cc1)[*:1]
CCc1cc(C[NH+]2CCC(CC(=O)[O-])CC2)n(C)n1 O=C([O-])C[*:1] CCc1cc(C[NH+]2CCC(CC2)[*:1])n(C)n1
CCc1cc(C[NH+]2CCC(CC(=O)[O-])CC2)n(C)n1 O=C([O-])[*:1] CCc1cc(C[NH+]2CCC(CC2)C[*:1])n(C)n1
C[C@@H](C(=O)[O-])N1C(=O)c2nccnc2C1=O O=C([O-])[*:1] C[C@@H](N1C(=O)c2nccnc2C1=O)[*:1]
CNC(=O)C(C)(C)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 CNC(=O)[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)NCC(C)(C)[*:1]
CNC(=O)C(C)(C)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 COc1ccc(cc1)[*:1] CNC(=O)C(C)(C)CNC(=O)c1cc(C)n(n1)[*:1]
CNC(=O)C(C)(C)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 CNC(=O)C(C)(C)C[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)N[*:1]
CNC(=O)C(C)(C)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1 CNC(=O)C(C)(C)[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)NC[*:1]
COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)C1=C(C)N(C(=O)N[C@@H]1[*:1])[C@@H]1CCS(=O)(=O)C1
COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(F)cc1F O=S1(=O)CC[C@H](C1)[*:1] COC(=O)C1=C(C)N(C(=O)N[C@H]1c1ccc(F)cc1F)[*:1]
COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(F)cc1F COC(=O)[*:1] CC1=C([C@@H](NC(=O)N1[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1F)[*:1]
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc(F)ccc1F O=[N+]([O-])[*:1] Cc1ncc(n1CCOC(=O)c1cc(F)ccc1F)[*:1]
Cc1ccccc1NC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 Cc1ccccc1[*:1] O=C(N[*:1])[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
Cc1ccccc1NC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 c1cc(c2nsnc2c1)[*:1] Cc1ccccc1NC(=O)[C@H](NS(=O)(=O)[*:1])c1ccccc1
Cc1ccccc1NC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 Cc1ccccc1NC(=O)[*:1] O=S(=O)(N[C@H](c1ccccc1)[*:1])c1cccc2nsnc12
Cc1ccccc1NC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc12)[*:1]
Cc1cc(CN(C)[C@@H](C(N)=O)c2cccc(F)c2)c(C)o1 Fc1cccc(c1)[*:1] Cc1cc(CN(C)[C@@H](C(N)=O)[*:1])c(C)o1
Cc1cc(CN(C)[C@@H](C(N)=O)c2cccc(F)c2)c(C)o1 NC(=O)[*:1] Cc1cc(CN(C)[C@@H](c2cccc(F)c2)[*:1])c(C)o1
Cc1cc(CN(C)[C@@H](C(N)=O)c2cccc(F)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] CN(C[*:1])[C@@H](C(N)=O)c1cccc(F)c1
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1 CC[S@](=O)[*:1] O=C(N[C@H]1CCC[C@@H](C1)[*:1])N[C@@H]1c2ccccc2C[C@@H]1O
CCN(C[C@@H](C)C(N)=S)S(=O)(=O)c1cn(CC)cn1 C[C@@H](C(N)=S)[*:1] CCN(C[*:1])S(=O)(=O)c1cn(cn1)CC
CCN(C[C@@H](C)C(N)=S)S(=O)(=O)c1cn(CC)cn1 NC(=S)[*:1] CCN(C[C@@H](C)[*:1])S(=O)(=O)c1cn(cn1)CC
CCN(C[C@@H](C)C(N)=S)S(=O)(=O)c1cn(CC)cn1 C[C@H](C[*:1])C(N)=S CCN(S(=O)(=O)c1cn(cn1)CC)[*:1]
Cn1ncc(NCc2ccc(-c3ccccc3C#N)cc2)c(Cl)c1=O N#Cc1ccccc1[*:1] Cn1ncc(NCc2ccc(cc2)[*:1])c(Cl)c1=O
CC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(-c2n[nH]c(C)n2)c1 Cc1nc(n[nH]1)[*:1] CC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(c1)[*:1]
CC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(-c2n[nH]c(C)n2)c1 CC(=O)N1CCC[C@H]1[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)[*:1]
COCC[C@@H](C)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 COCC[*:1] C[C@@H](C(=O)N[C@H]1CCCN(C1)c1cccc(F)c1)[*:1]
COCC[C@@H](C)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 COCC[C@@H](C)[*:1] O=C(N[C@H]1CCCN(C1)c1cccc(F)c1)[*:1]
COCC[C@@H](C)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 COC[*:1] C[C@H](C[*:1])C(=O)N[C@H]1CCCN(C1)c1cccc(F)c1
COCC[C@@H](C)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] COCC[C@@H](C)C(=O)N[C@H]1CCCN(C1)[*:1]
COC(=O)[C@@H](C)Sc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CO[C@@H](C(C)C)C4 COC(=O)[C@@H](C)[*:1] Cc1ccc(cc1)-n1c(=O)c2c3C[C@@H](OCc3sc2n2c(nnc12)S[*:1])C(C)C
COC(=O)[C@@H](C)Sc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CO[C@@H](C(C)C)C4 CC(C)[*:1] COC(=O)[C@@H](C)Sc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4C[C@H](OCc4sc3n12)[*:1]
COC(=O)[C@@H](C)Sc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CO[C@@H](C(C)C)C4 Cc1ccc(cc1)[*:1] COC(=O)[C@@H](C)Sc1nnc2n(c(=O)c3c4C[C@@H](OCc4sc3n12)C(C)C)[*:1]
COC(=O)[C@@H](C)Sc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CO[C@@H](C(C)C)C4 COC(=O)[*:1] Cc1ccc(cc1)-n1c(=O)c2c3C[C@@H](OCc3sc2n2c(nnc12)S[C@H](C)[*:1])C(C)C
COC(=O)[C@@H](C)Sc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CO[C@@H](C(C)C)C4 COC(=O)[C@@H](C)S[*:1] Cc1ccc(cc1)-n1c(=O)c2c3C[C@@H](OCc3sc2n2c(nnc12)[*:1])C(C)C
C[C@H](NC(=O)NCc1csc(C(C)(C)C)n1)C(C)(C)C[NH+](C)C CC(C)(C)[*:1] C[C@H](NC(=O)NCc1csc(n1)[*:1])C(C)(C)C[NH+](C)C
CC(C)c1cccc2cc3c(nc12)O[C@H](C)CN(Cc1ccccc1)C3 c1ccc(cc1)C[*:1] CC(C)c1cccc2cc3CN(C[C@@H](C)Oc3nc12)[*:1]
CC(C)c1cccc2cc3c(nc12)O[C@H](C)CN(Cc1ccccc1)C3 CC(C)[*:1] C[C@@H]1CN(Cc2ccccc2)Cc2cc3cccc(c3nc2O1)[*:1]
CC(C)c1cccc2cc3c(nc12)O[C@H](C)CN(Cc1ccccc1)C3 c1ccc(cc1)[*:1] CC(C)c1cccc2cc3CN(C[C@@H](C)Oc3nc12)C[*:1]
C[NH2+]Cc1cc(Cl)c(O[C@H](C)C(=O)NC(C)C)c(OC)c1 CC(C)[*:1] C[NH2+]Cc1cc(Cl)c(O[C@H](C)C(=O)N[*:1])c(c1)OC
C[NH2+]Cc1cc(Cl)c(O[C@H](C)C(=O)NC(C)C)c(OC)c1 CC(C)NC(=O)[*:1] C[NH2+]Cc1cc(Cl)c(O[C@H](C)[*:1])c(c1)OC
NC(=O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 NC(=O)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])C1CCCCC1
NC(=O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 NC(=O)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])C1CCCCC1
NC(=O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)[*:1]
CCOCCN(C)C(=O)[C@H](C)c1cccnc1 CCOC[*:1] C[C@@H](C(=O)N(C)C[*:1])c1cccnc1
CCOCCN(C)C(=O)[C@H](C)c1cccnc1 CCO[*:1] C[C@@H](C(=O)N(C)CC[*:1])c1cccnc1
CCOCCN(C)C(=O)[C@H](C)c1cccnc1 CCOCC[*:1] C[C@@H](C(=O)N(C)[*:1])c1cccnc1
O=C(Nc1cccc(C(=O)[O-])c1)Nc1cc(Cl)c(Cl)cc1Cl O=C([O-])[*:1] O=C(Nc1cccc(c1)[*:1])Nc1cc(Cl)c(Cl)cc1Cl
COc1ccccc1O[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2)n1 COc1ccccc1O[*:1] Cc1cc(nn1-c1ccccc1)C(=O)NC[C@H](C)[*:1]
COc1ccccc1O[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccccc1O[C@@H](C)CNC(=O)c1cc(C)n(n1)[*:1]
COc1ccccc1O[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2)n1 COc1ccccc1[*:1] Cc1cc(nn1-c1ccccc1)C(=O)NC[C@H](C)O[*:1]
C=CCC[NH2+]C[C@]1(C)CCCO1 C=CCC[*:1] C[C@]1(CCCO1)C[NH2+][*:1]
C=CCC[NH2+]C[C@]1(C)CCCO1 C=CC[*:1] C[C@]1(CCCO1)C[NH2+]C[*:1]
CCOc1cc(F)ccc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C CCO[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)cc1[*:1]
CC1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 FC(F)(F)[*:1] CC1CCN(CC1)C(=O)Nc1cc(c[nH]c1=O)[*:1]
Cc1cc(NC(=O)CSc2nnnn2C2CCCC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CSc2nnnn2C2CCCC2)n(n1)[*:1]
Cc1cc(NC(=O)CSc2nnnn2C2CCCC2)n(-c2ccccc2)n1 C1CCC(C1)[*:1] Cc1cc(NC(=O)CSc2nnnn2[*:1])n(n1)-c1ccccc1
O=C(NCc1ccc(OC(F)(F)F)cc1)C1(c2cc(-c3ccccc3)on2)CC1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)OC(F)(F)F)C1(CC1)c1cc(on1)[*:1]
O=C(NCc1ccc(OC(F)(F)F)cc1)C1(c2cc(-c3ccccc3)on2)CC1 FC(F)(F)O[*:1] O=C(NCc1ccc(cc1)[*:1])C1(CC1)c1cc(on1)-c1ccccc1
O=C(NCc1ccc(OC(F)(F)F)cc1)C1(c2cc(-c3ccccc3)on2)CC1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)O[*:1])C1(CC1)c1cc(on1)-c1ccccc1
O=C(c1ccc(F)cc1)N1CCS[C@@H]1c1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] O=C(N1CCS[C@@H]1c1ccc2OCOc2c1)[*:1]
Cc1ccc(C(=O)N2CCC(C)(C)C2)cc1NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCC(C)(C)C1
Cc1ccc(C(=O)N2CCC(C)(C)C2)cc1NC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)O[*:1])C(=O)N1CCC(C)(C)C1
CCN(C(=O)C(=O)c1ccc(C)cc1)c1cccc2ccccc12 Cc1ccc(cc1)[*:1] CCN(C(=O)C(=O)[*:1])c1cccc2ccccc12
Cc1ccc(CCC(=O)OCC#Cc2ccccc2)o1 Cc1ccc(o1)[*:1] O=C(CC[*:1])OCC#Cc1ccccc1
Cc1ccc(CCC(=O)OCC#Cc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(CCC(=O)OCC#C[*:1])o1
O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)NC(=S)N[*:1]
O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccc(O)cc1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])NC(=S)Nc1ccc(O)cc1
C1CCN(c2nc(NC3CCCC3)nc3n[nH]nc23)CC1 C1CCN(CC1)[*:1] C1CCC(C1)Nc1nc(c2n[nH]nc2n1)[*:1]
C1CCN(c2nc(NC3CCCC3)nc3n[nH]nc23)CC1 C1CCC(C1)[*:1] C1CCN(CC1)c1nc(nc2n[nH]nc12)N[*:1]
C1CCN(c2nc(NC3CCCC3)nc3n[nH]nc23)CC1 C1CCC(C1)N[*:1] C1CCN(CC1)c1nc(nc2n[nH]nc12)[*:1]
O=C(Nc1ccc(Br)cc1)c1ccc(CSC2=NCCS2)cc1 Brc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)CSC1=NCCS1
CCCS(=O)(=O)N1CCN(c2c(C)n(-c3ccccc3)c(=O)n(C)c2=O)CC1 c1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCN(CC1)c1c(C)n(c(=O)n(C)c1=O)[*:1]
CCCS(=O)(=O)N1CCN(c2c(C)n(-c3ccccc3)c(=O)n(C)c2=O)CC1 CCC[*:1] Cc1c(c(=O)n(C)c(=O)n1-c1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)O[*:1]
COc1ccc(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)[*:1]
COc1ccc([C@@H](C)COC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 O=S1(=O)CC[C@@H](C1)[*:1] COc1ccc(cc1)[C@@H](C)COC(=O)C[*:1]
CC1CCC(CN(C)C(=O)NCc2nc(-c3cccs3)n[nH]2)CC1 CC1CCC(CC1)[*:1] CN(C[*:1])C(=O)NCc1nc(n[nH]1)-c1cccs1
CC1CCC(CN(C)C(=O)NCc2nc(-c3cccs3)n[nH]2)CC1 c1csc(c1)[*:1] CC1CCC(CC1)CN(C)C(=O)NCc1nc(n[nH]1)[*:1]
CC1CCC(CN(C)C(=O)NCc2nc(-c3cccs3)n[nH]2)CC1 CC1CCC(CC1)C[*:1] CN(C(=O)NCc1nc(n[nH]1)-c1cccs1)[*:1]
CC[C@@H](NC(=O)NCc1ccc([S@](C)=O)cc1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@@H](NC(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
CC[C@@H](NC(=O)NCc1ccc([S@](C)=O)cc1)c1cc(F)ccc1F C[S@](=O)[*:1] CC[C@@H](NC(=O)NCc1ccc(cc1)[*:1])c1cc(F)ccc1F
CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@H](Nc3ccccc3)C2)c1C c1ccc(cc1)N[*:1] CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@H](C2)[*:1])c1C
CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@H](Nc3ccccc3)C2)c1C CCn1nc(C)c(c1C)[*:1] O=C(N[*:1])C(=O)N1CCC[C@@H](C1)Nc1ccccc1
CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@H](Nc3ccccc3)C2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@@H](C2)N[*:1])c1C
CC(C)[C@H](C)NC(=O)c1ccccc1OCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@H](C)NC(=O)c1ccccc1OC[*:1]
CC(C)[C@H](C)NC(=O)c1ccccc1OCc1ccc(F)cc1 CC(C)[*:1] C[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)[*:1]
CCOc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 CCO[*:1] Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
CCC[C@@H](NC(N)=O)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 NC(=O)N[*:1] CCC[C@@H](C(=O)NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
CCC[C@@H](NC(N)=O)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 CCC[*:1] NC(=O)N[C@@H](C(=O)NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
C[C@H]1CCN(C(=O)NCc2ccncc2)C[C@@H]1O c1cc(ccn1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NC[*:1]
C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)S(=O)(=O)c1ccc(F)cc1 C1CCN(CC1)[*:1] C[C@@H](C(=O)Nc1cc(ccc1[*:1])C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F)S(=O)(=O)[*:1]
C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)S(=O)(=O)c1ccc(F)cc1 O=S(=O)(c1ccc(F)cc1)[*:1] C[C@@H](C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F)[*:1]
C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)S(=O)(=O)c1ccc(F)cc1 FC(F)(F)[*:1] C[C@@H](C(=O)Nc1cc(ccc1N1CCCCC1)[*:1])S(=O)(=O)c1ccc(F)cc1
CCC[C@H](C)N1C[C@H](C(=O)NCc2cc(C)oc2C)CC1=O Cc1cc(c(C)o1)[*:1] CCC[C@H](C)N1C[C@@H](CC1=O)C(=O)NC[*:1]
CCC[C@H](C)N1C[C@H](C(=O)NCc2cc(C)oc2C)CC1=O CCC[C@H](C)[*:1] Cc1cc(CNC(=O)[C@@H]2CC(=O)N(C2)[*:1])c(C)o1
CCC[C@H](C)N1C[C@H](C(=O)NCc2cc(C)oc2C)CC1=O CCC[*:1] Cc1cc(CNC(=O)[C@@H]2CC(=O)N(C2)[C@@H](C)[*:1])c(C)o1
Cc1ccc(SCC(=O)Nc2cc(C)nn2Cc2ccccn2)cc1 c1ccc(C[*:1])nc1 Cc1ccc(cc1)SCC(=O)Nc1cc(C)nn1[*:1]
Cc1ccc(SCC(=O)Nc2cc(C)nn2Cc2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)SCC(=O)Nc1cc(C)nn1C[*:1]
Cc1ccc(SCC(=O)Nc2cc(C)nn2Cc2ccccn2)cc1 Cc1ccc(cc1)S[*:1] Cc1cc(NC(=O)C[*:1])n(Cc2ccccn2)n1
Cc1ccc(SCC(=O)Nc2cc(C)nn2Cc2ccccn2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)CS[*:1])n(Cc2ccccn2)n1
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 c1ccc(cc1)CC[*:1] O=C(N/N=C/c1ccc(o1)-c1ccc(Cl)c(Cl)c1)C(=O)N[*:1]
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 c1ccc(cc1)[*:1] O=C(NCC[*:1])C(=O)N/N=C/c1ccc(o1)-c1ccc(Cl)c(Cl)c1
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 c1ccc(cc1)C[*:1] O=C(NC[*:1])C(=O)N/N=C/c1ccc(o1)-c1ccc(Cl)c(Cl)c1
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 Clc1ccc(cc1Cl)[*:1] O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(o1)[*:1]
CCn1c2ccc([C@@H](C)O)cc2c2cc([C@@H](C)O)ccc21 C[C@@H](O)[*:1] CCn1c2ccc(cc2c2cc(ccc21)[*:1])[C@@H](C)O
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 Cc1nn(C)c(C)c1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(F)c2)N1CCN1CCOCC1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 C1CN(CCO1)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1cccc(F)c1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 Cc1nn(C)c(C)c1C(=O)[*:1] O=C1C([O-])=C([C@H](c2cccc(F)c2)N1CCN1CCOCC1)[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 C1CN(CCO1)CC[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(F)c1)[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 C1CN(CCO1)C[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(F)c1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1[*:1]
CCCc1ccccc1OCC(=O)[O-] CCC[*:1] O=C([O-])COc1ccccc1[*:1]
CCCc1ccccc1OCC(=O)[O-] O=C([O-])[*:1] CCCc1ccccc1OC[*:1]
CCCc1ccccc1OCC(=O)[O-] O=C([O-])C[*:1] CCCc1ccccc1O[*:1]
CCC[NH2+][C@H]1CC(C)(C)c2c(F)cc(OC)c(OC)c21 CCC[*:1] COc1cc(F)c2c(c1OC)[C@H](CC2(C)C)[NH2+][*:1]
Cc1cccc(NC(=O)CN2CCN(C(=O)CC(C)C)CC2)c1C CC(C)[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)C(=O)C[*:1])c1C
Cc1cccc(NC(=O)CN2CCN(C(=O)CC(C)C)CC2)c1C Cc1cccc(c1C)[*:1] CC(C)CC(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1cccc(NC(=O)CN2CCN(C(=O)CC(C)C)CC2)c1C CC(C)C[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)C(=O)[*:1])c1C
Cc1cccc(C2=CCN(C(=O)c3ccc(C(=O)N(C)C)nc3C)CC2)c1 Cc1cccc(c1)[*:1] Cc1nc(ccc1C(=O)N1CC=C(CC1)[*:1])C(=O)N(C)C
Cc1cccc(C2=CCN(C(=O)c3ccc(C(=O)N(C)C)nc3C)CC2)c1 CN(C)C(=O)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)c1ccc(nc1C)[*:1]
C[C@@H](Nc1ncc(F)c(N(C)C)n1)C1=CCCCC1 CN(C)[*:1] C[C@@H](Nc1ncc(F)c(n1)[*:1])C1=CCCCC1
C[C@H](O)[C@H]1CCCN(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 C[C@H](O)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)N1CCC[C@@H](C1)[*:1]
CCC[C@H]1C[C@H]1NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CCC[C@H]1C[C@H]1NC(=O)C(=O)Nc1cnc(s1)[*:1]
CCC[C@H]1C[C@H]1NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 CCC[*:1] O=C(Nc1cnc(s1)-c1ccccc1)C(=O)N[C@@H]1C[C@@H]1[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCOc3ccccc3C2)C1 CS(=O)(=O)[*:1] O=C(N[C@@H]1CCC[C@H](C1)[*:1])N1CCOc2ccccc2C1
Cc1nc(-c2nc[nH]n2)sc1C(=O)NC[C@]1(O)CCCc2ccccc21 c1nc(n[nH]1)[*:1] Cc1nc(sc1C(=O)NC[C@]1(O)CCCc2ccccc21)[*:1]
C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COC1CCCC1 C1CCC(C1)[*:1] C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)CO[*:1]
C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COC1CCCC1 C1CCC(C1)O[*:1] C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)C[*:1]
COc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NN NNC(=O)[*:1] COc1cc(C)c(c(C)c1[*:1])[N+](=O)[O-]
COc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NN O=[N+]([O-])[*:1] COc1cc(C)c(c(C)c1C(=O)NN)[*:1]
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(SC)n3-c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cnc(SC)n1[*:1]
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(SC)n3-c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] CSc1ncc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])n1-c1ccccc1
COc1ccc([C@H](NC(=O)c2ccc(C#N)[n-]2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1ccc(C#N)[n-]1)[*:1]
COc1ccc([C@H](NC(=O)c2ccc(C#N)[n-]2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] N#Cc1ccc([n-]1)C(=O)N[C@H](C1CCOCC1)[*:1]
COc1cc(NCc2cn(C)nc2-c2cccs2)ccc1Br c1csc(c1)[*:1] COc1cc(ccc1Br)NCc1cn(C)nc1[*:1]
Cc1ccc(NC(=O)N2CC(c3nc(-c4cccs4)no3)C2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)NC(=O)N1CC(C1)c1nc(no1)[*:1]
Cc1ccc(NC(=O)N2CC(c3nc(-c4cccs4)no3)C2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])N1CC(C1)c1nc(no1)-c1cccs1
Cc1cccc(C(C)(C)NC(=O)NCCOCC(F)(F)F)c1 FC(F)(F)[*:1] Cc1cccc(c1)C(C)(C)NC(=O)NCCOC[*:1]
Cc1cccc(C(C)(C)NC(=O)NCCOCC(F)(F)F)c1 FC(F)(F)COC[*:1] Cc1cccc(c1)C(C)(C)NC(=O)NC[*:1]
Cc1cccc(C(C)(C)NC(=O)NCCOCC(F)(F)F)c1 FC(F)(F)CO[*:1] Cc1cccc(c1)C(C)(C)NC(=O)NCC[*:1]
Cc1cccc(C(C)(C)NC(=O)NCCOCC(F)(F)F)c1 FC(F)(F)C[*:1] Cc1cccc(c1)C(C)(C)NC(=O)NCCO[*:1]
Cc1cccc(C(C)(C)NC(=O)NCCOCC(F)(F)F)c1 Cc1cccc(c1)[*:1] CC(C)(NC(=O)NCCOCC(F)(F)F)[*:1]
COC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)=O)cc1 COC[*:1] CC(=O)c1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
COC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)=O)cc1 CC(=O)[*:1] COC[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
COC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)=O)cc1 COC[C@@H](C)[*:1] CC(=O)c1ccc(cc1)NC(=O)C(=O)N[*:1]
C=CC[C@@H](C(=O)NC(N)=O)C(C)C C=CC[*:1] CC(C)[C@H](C(=O)NC(N)=O)[*:1]
C=CC[C@@H](C(=O)NC(N)=O)C(C)C CC(C)[*:1] C=CC[C@@H](C(=O)NC(N)=O)[*:1]
O=C(NC(=S)Nc1ccc(Br)cn1)c1ccc2c(c1)OCO2 Brc1ccc(nc1)[*:1] O=C(NC(=S)N[*:1])c1ccc2OCOc2c1
CCOc1cccc(C(=O)Nc2cc(C)on2)c1 CCO[*:1] Cc1cc(no1)NC(=O)c1cccc(c1)[*:1]
CCOc1cccc(C(=O)Nc2cc(C)on2)c1 Cc1cc(no1)[*:1] CCOc1cccc(c1)C(=O)N[*:1]
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@@H](c1cc2ccccc2o1)N(C)C(=O)/C=C/c1ccc(cc1)[*:1]
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 c1ccc2oc(cc2c1)[*:1] C[C@@H](N(C)C(=O)/C=C/c1ccc(cc1)N1CCCC1=O)[*:1]
CCCN(CC(=O)N1CCCC1)CC(F)(F)F FC(F)(F)[*:1] CCCN(CC(=O)N1CCCC1)C[*:1]
CCCN(CC(=O)N1CCCC1)CC(F)(F)F CCC[*:1] O=C(CN(CC(F)(F)F)[*:1])N1CCCC1
CCCN(CC(=O)N1CCCC1)CC(F)(F)F FC(F)(F)C[*:1] CCCN(CC(=O)N1CCCC1)[*:1]
COCCN(C)c1cncc(CCl)n1 COC[*:1] CN(C[*:1])c1cncc(CCl)n1
COCCN(C)c1cncc(CCl)n1 COCC[*:1] CN(c1cncc(CCl)n1)[*:1]
O=C(CCC(F)(F)F)Nc1cccc(Cl)c1-n1cccn1 FC(F)(F)CC[*:1] O=C(Nc1cccc(Cl)c1-n1cccn1)[*:1]
O=C(CCC(F)(F)F)Nc1cccc(Cl)c1-n1cccn1 FC(F)(F)C[*:1] O=C(C[*:1])Nc1cccc(Cl)c1-n1cccn1
O=C(CCC(F)(F)F)Nc1cccc(Cl)c1-n1cccn1 FC(F)(F)[*:1] O=C(CC[*:1])Nc1cccc(Cl)c1-n1cccn1
O=C(CCC(F)(F)F)Nc1cccc(Cl)c1-n1cccn1 c1cnn(c1)[*:1] O=C(CCC(F)(F)F)Nc1cccc(Cl)c1[*:1]
COc1cccc([C@H]2C(C(=O)C3=C(C)N=N[C@@H]3C)=C([O-])C(=O)N2CCN2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)C2=C(C)N=N[C@@H]2C)=C([O-])C(=O)N1CC[*:1]
COc1cccc([C@H]2C(C(=O)C3=C(C)N=N[C@@H]3C)=C([O-])C(=O)N2CCN2CCOCC2)c1 COc1cccc(c1)[*:1] CC1N=N[C@H](C)C=1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1[*:1]
COc1cccc([C@H]2C(C(=O)C3=C(C)N=N[C@@H]3C)=C([O-])C(=O)N2CCN2CCOCC2)c1 C1CN(CCO1)C[*:1] COc1cccc(c1)[C@H]1C(C(=O)C2=C(C)N=N[C@@H]2C)=C([O-])C(=O)N1C[*:1]
COc1cccc([C@H]2C(C(=O)C3=C(C)N=N[C@@H]3C)=C([O-])C(=O)N2CCN2CCOCC2)c1 C1CN(CCO1)CC[*:1] COc1cccc(c1)[C@H]1C(C(=O)C2=C(C)N=N[C@@H]2C)=C([O-])C(=O)N1[*:1]
CCCC(=O)Nc1cccc(CCC(=O)N(C)C)c1 CCC[*:1] CN(C)C(=O)CCc1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(CCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] CCCC(=O)Nc1cccc(c1)C[*:1]
CCCC(=O)Nc1cccc(CCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCCC(=O)Nc1cccc(c1)CC[*:1]
CCCC(=O)Nc1cccc(CCC(=O)N(C)C)c1 CCCC(=O)N[*:1] CN(C)C(=O)CCc1cccc(c1)[*:1]
CC[NH+](CC)C[C@H]1CCN(Cc2nc(-c3cccc(C)c3)no2)C1 Cc1cccc(c1)[*:1] CC[NH+](CC)C[C@H]1CCN(Cc2nc(no2)[*:1])C1
CC(C)COCCNC(=O)N1CCN(C(=O)c2cccnc2)CC1 CC(C)CO[*:1] O=C(NCC[*:1])N1CCN(CC1)C(=O)c1cccnc1
CC(C)COCCNC(=O)N1CCN(C(=O)c2cccnc2)CC1 CC(C)COC[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)c1cccnc1
CC(C)COCCNC(=O)N1CCN(C(=O)c2cccnc2)CC1 CC(C)[*:1] O=C(NCCOC[*:1])N1CCN(CC1)C(=O)c1cccnc1
CC(C)COCCNC(=O)N1CCN(C(=O)c2cccnc2)CC1 CC(C)C[*:1] O=C(NCCO[*:1])N1CCN(CC1)C(=O)c1cccnc1
CC(C)COCCNC(=O)N1CCN(C(=O)c2cccnc2)CC1 CC(C)COCC[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1cccnc1
CC(C)COCCNC(=O)N1CCN(C(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] CC(C)COCCNC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)CNC(=O)[*:1]
CC[NH2+][C@@H]1C(=O)Nc2cc(SCC[NH+](C)C)ccc21 C[NH+](C)CCS[*:1] CC[NH2+][C@@H]1C(=O)Nc2cc(ccc21)[*:1]
O=C(OCc1ccccc1)c1ccc(OC[C@H]2CC[NH2+]C2)cc1 c1ccc(cc1)C[*:1] O=C(O[*:1])c1ccc(cc1)OC[C@H]1CC[NH2+]C1
O=C(OCc1ccccc1)c1ccc(OC[C@H]2CC[NH2+]C2)cc1 c1ccc(cc1)[*:1] O=C(OC[*:1])c1ccc(cc1)OC[C@H]1CC[NH2+]C1
Cc1ccc(F)cc1NC(=O)[C@@H](C)O/N=C/C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(F)cc1NC(=O)[C@@H](C)O/N=C/C(=O)N[*:1]
Cc1ccc(F)cc1NC(=O)[C@@H](C)O/N=C/C(=O)Nc1ccc(F)cc1 Cc1ccc(F)cc1[*:1] C[C@@H](O/N=C/C(=O)Nc1ccc(F)cc1)C(=O)N[*:1]
O=C(c1ccccc1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 c1ccc(cc1)[*:1] O=C(N1CCO[C@@H](C1)c1cccc(c1)OC(F)F)[*:1]
O=C(c1ccccc1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 FC(F)[*:1] O=C(c1ccccc1)N1CCO[C@@H](C1)c1cccc(c1)O[*:1]
O=C(c1ccccc1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] O=C(c1ccccc1)N1CCO[C@@H](C1)c1cccc(c1)[*:1]
O=C(CCC(=O)c1ccc(Br)cc1)N[C@H](c1ccccc1)c1ccccn1 O=C(c1ccc(Br)cc1)[*:1] O=C(CC[*:1])N[C@H](c1ccccc1)c1ccccn1
O=C(CCC(=O)c1ccc(Br)cc1)N[C@H](c1ccccc1)c1ccccn1 Brc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N[C@H](c1ccccc1)c1ccccn1
O=C(CCC(=O)c1ccc(Br)cc1)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(CCC(=O)c1ccc(Br)cc1)N[C@H](c1ccccc1)[*:1]
O=C(CCC(=O)c1ccc(Br)cc1)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(CCC(=O)c1ccc(Br)cc1)N[C@H](c1ccccn1)[*:1]
C[C@H]1CN(C(=O)NCc2cccs2)C[C@H](c2ccc(F)cc2)O1 c1csc(c1)C[*:1] C[C@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)N[*:1]
C[C@H]1CN(C(=O)NCc2cccs2)C[C@H](c2ccc(F)cc2)O1 Fc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])C(=O)NCc1cccs1
C[C@H]1CN(C(=O)NCc2cccs2)C[C@H](c2ccc(F)cc2)O1 c1csc(c1)[*:1] C[C@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)NC[*:1]
O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1C[*:1]
O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1
O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CC[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1
O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 c1ccc(cc1)CC[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1)[*:1]
O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CCn1nc(C)c(CNC(=O)N(C)C2CCOCC2)c1C C1CC(CCO1)[*:1] CCn1nc(C)c(CNC(=O)N(C)[*:1])c1C
COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)[C@H]2CCCO2)n3C)cc1 COc1ccc(cc1)[*:1] Cn1c(CCNC(=O)[C@H]2CCCO2)nc2cc(ccc21)NC(=O)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)CC[*:1] COC(=O)C1=C(N)Oc2cc(C)n(c(=O)c2[C@@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] COC(=O)C1=C(N)Oc2cc(C)n(CC[*:1])c(=O)c2[C@@H]1c1ccc(cc1)[N+](=O)[O-]
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] COC(=O)C1=C(N)Oc2cc(C)n(C[*:1])c(=O)c2[C@@H]1c1ccc(cc1)[N+](=O)[O-]
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1c1ccc(cc1)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 COC(=O)[*:1] Cc1cc2OC(N)=C([C@@H](c3ccc(cc3)[N+](=O)[O-])c2c(=O)n1CCc1ccccc1)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1[*:1]
Cc1cc(CN2CCO[C@H](C(N)=O)C2)ccc1Br NC(=O)[*:1] Cc1cc(ccc1Br)CN1CCO[C@H](C1)[*:1]
Cc1ccc(C[NH+]2CCC(CNC(=O)Cc3ccc[nH]3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(Cc1ccc[nH]1)NCC1CC[NH+](CC1)[*:1]
Cc1ccc(C[NH+]2CCC(CNC(=O)Cc3ccc[nH]3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccc[nH]1)NCC1CC[NH+](CC1)C[*:1]
Cc1ccc(C[NH+]2CCC(CNC(=O)Cc3ccc[nH]3)CC2)cc1 c1c[nH]c(c1)C[*:1] Cc1ccc(cc1)C[NH+]1CCC(CC1)CNC(=O)[*:1]
Cc1ccc(C[NH+]2CCC(CNC(=O)Cc3ccc[nH]3)CC2)cc1 c1c[nH]c(c1)[*:1] Cc1ccc(cc1)C[NH+]1CCC(CC1)CNC(=O)C[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)no1 FC(F)(F)[*:1] Cc1cc(no1)NC(=O)[C@H](C)SCC(=O)Nc1ccc(Br)c(c1)[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)no1 Cc1cc(no1)NC(=O)[*:1] C[C@H](SCC(=O)Nc1ccc(Br)c(c1)C(F)(F)F)[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)no1 Cc1cc(no1)[*:1] C[C@H](SCC(=O)Nc1ccc(Br)c(c1)C(F)(F)F)C(=O)N[*:1]
Cc1[nH]ncc1S(=O)(=O)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] Cc1[nH]ncc1S(=O)(=O)NC[C@@H]1CCCN(C1)[*:1]
Cc1[nH]ncc1S(=O)(=O)NC[C@@H]1CCCN(c2ncccn2)C1 Cc1[nH]ncc1[*:1] O=S(=O)(NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC(CC(N)=O)CC1 NC(=O)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CCC(CC1)C[*:1]
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC(CC(N)=O)CC1 CC(C)(C)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])C(=O)N1CCC(CC1)CC(N)=O
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC(CC(N)=O)CC1 NC(=O)C[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CCC(CC1)[*:1]
Cn1cncc1[C@@H]1CC[NH2+]C[C@@H]1c1ccc(Br)cc1 Cn1cncc1[*:1] Brc1ccc(cc1)[C@H]1C[NH2+]CC[C@H]1[*:1]
COc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)[NH+]2CCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCCC1)[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1
COc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)[NH+]2CCCCC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)C1CCN(CC1)C(=O)[*:1])[NH+]1CCCCC1
CCn1c(SCC(=O)N/N=C/C(C)=C\c2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(nc2ccccc21)SCC(=O)N/N=C/C(/C)=C[*:1]
CCn1c(SCC(=O)N/N=C/C(C)=C\c2ccccc2)nc2ccccc21 CC(=Cc1ccccc1)[*:1] CCn1c(nc2ccccc21)SCC(=O)NN=C[*:1]
CC[NH+](CC)CCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@H]1c1ccccc1OC COc1ccccc1[*:1] CC[NH+](CC)CCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@@H]1[*:1]
CCc1ccc(NC(=O)C[S@@](=O)Cc2nnnn2C2CC2)cc1 C1CC1[*:1] CCc1ccc(cc1)NC(=O)C[S@@](=O)Cc1nnnn1[*:1]
C[C@@H](Nc1nc2ccc(F)cc2s1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](Nc1nc2ccc(F)cc2s1)[*:1]
COCc1ccc(C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)cc1 COC[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1nc2ccc(Cl)cc2n1C
N#C[C@@H]1COCCN1Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#C[C@@H]1COCCN1Cc1ccccc1[*:1]
C[C@@H]1CCc2sc(C(=O)NC3CCCCC3)cc2C1 C1CCC(CC1)[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)N[*:1]
Cc1cc2ccccc2n1CC(=O)N1CCN(c2c(N)n(C)c(=O)n(C)c2=O)CC1 Cc1cc2ccccc2n1[*:1] Cn1c(N)c(c(=O)n(C)c1=O)N1CCN(CC1)C(=O)C[*:1]
CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)N(C[C@H]2C[C@@H]2C)C(C)C)C1 CC(C)[*:1] CC(C)NC(=O)[C@H]1CCC[C@H](C1)NC(=O)N(C[C@H]1C[C@@H]1C)[*:1]
CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)N(C[C@H]2C[C@@H]2C)C(C)C)C1 C[C@H]1C[C@@H]1C[*:1] CC(C)NC(=O)[C@H]1CCC[C@H](C1)NC(=O)N(C(C)C)[*:1]
CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)N(C[C@H]2C[C@@H]2C)C(C)C)C1 C[C@H]1C[C@@H]1[*:1] CC(C)NC(=O)[C@H]1CCC[C@H](C1)NC(=O)N(C[*:1])C(C)C
CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)N(C[C@H]2C[C@@H]2C)C(C)C)C1 CC(C)NC(=O)[*:1] CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)N(C[C@H]2C[C@@H]2C)C(C)C)C1 CC(C)[*:1] CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)N[*:1]
C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccnc(n1)[*:1]
C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccnc(-c2ccccc2)n1 C1CO[C@H](C1)[*:1] C[C@H](OC[*:1])C(=O)Nc1ccnc(n1)-c1ccccc1
C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccnc(-c2ccccc2)n1 C1CO[C@H](C1)C[*:1] C[C@H](O[*:1])C(=O)Nc1ccnc(n1)-c1ccccc1
C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccnc(-c2ccccc2)n1 C1CO[C@H](C1)CO[*:1] C[C@H](C(=O)Nc1ccnc(n1)-c1ccccc1)[*:1]
CCCn1cnc2nc(COc3ccccc3NC(=O)c3ccc(Cl)cc3)cc(=O)n21 CCC[*:1] O=C(Nc1ccccc1OCc1cc(=O)n2c(ncn2[*:1])n1)c1ccc(Cl)cc1
CCCn1cnc2nc(COc3ccccc3NC(=O)c3ccc(Cl)cc3)cc(=O)n21 O=C(N[*:1])c1ccc(Cl)cc1 CCCn1cnc2nc(cc(=O)n21)COc1ccccc1[*:1]
CCCn1cnc2nc(COc3ccccc3NC(=O)c3ccc(Cl)cc3)cc(=O)n21 Clc1ccc(cc1)[*:1] CCCn1cnc2nc(cc(=O)n21)COc1ccccc1NC(=O)[*:1]
C[NH2+]Cc1cc(C)nc([C@H]2C[NH+]3CCN2CC3)n1 C[NH2+]C[*:1] Cc1cc(nc(n1)[C@H]1C[NH+]2CCN1CC2)[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](OC[C@@H]2CCCO2)C1 CC(C)[*:1] NC(=O)[C@@]1(CC[C@@H](C1)OC[C@@H]1CCCO1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](OC[C@@H]2CCCO2)C1 NC(=O)[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)OC[C@@H]1CCCO1)[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](OC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)C[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)O[*:1])C(N)=O
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](OC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)OC[*:1])C(N)=O
O=C(NCCc1ccco1)C1=Cc2ccccc2OC1 c1coc(c1)[*:1] O=C(NCC[*:1])C1=Cc2ccccc2OC1
O=C(NCCc1ccco1)C1=Cc2ccccc2OC1 c1coc(c1)C[*:1] O=C(NC[*:1])C1=Cc2ccccc2OC1
CC(C)OCc1cccc(NC(=O)N2CCOCC2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)CO[*:1])N1CCOCC1
CC(C)OCc1cccc(NC(=O)N2CCOCC2)c1 CC(C)O[*:1] O=C(Nc1cccc(c1)C[*:1])N1CCOCC1
CC(C)OCc1cccc(NC(=O)N2CCOCC2)c1 CC(C)OC[*:1] O=C(Nc1cccc(c1)[*:1])N1CCOCC1
CC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O CC(=O)[*:1] C[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O CC(=O)[C@@H](C)[*:1] O=C1c2ccccc2C(=O)N1[*:1]
CC[C@H](C)N(C)C(=O)c1oc2c(Cl)cccc2c1C CC[C@H](C)[*:1] Cc1c(oc2c(Cl)cccc12)C(=O)N(C)[*:1]
Cc1c(NC(=O)c2ccccc2Br)c(-n2cnnc2)nn1C Brc1ccccc1[*:1] Cc1c(NC(=O)[*:1])c(nn1C)-n1cnnc1
Cc1c(NC(=O)c2ccccc2Br)c(-n2cnnc2)nn1C c1nncn1[*:1] Cc1c(NC(=O)c2ccccc2Br)c(nn1C)[*:1]
CC(C)(C)[C@H](C#N)NC(=O)c1cc2ccccc2cc1OC(F)F CC(C)(C)[*:1] N#C[C@H](NC(=O)c1cc2ccccc2cc1OC(F)F)[*:1]
CC(C)(C)[C@H](C#N)NC(=O)c1cc2ccccc2cc1OC(F)F FC(F)[*:1] CC(C)(C)[C@H](C#N)NC(=O)c1cc2ccccc2cc1O[*:1]
CC(C)(C)[C@H](C#N)NC(=O)c1cc2ccccc2cc1OC(F)F FC(F)O[*:1] CC(C)(C)[C@H](C#N)NC(=O)c1cc2ccccc2cc1[*:1]
O=C1C[C@@H](C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)CN1CC1CC1 c1ccn2c(nnc2c1)[*:1] O=C1C[C@H](CN1CC1CC1)C(=O)N1CCC[C@@H](C1)[*:1]
O=C1C[C@@H](C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)CN1CC1CC1 C1CC1[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCC[C@H](C1)c1nnc2ccccn12
O=C1C[C@@H](C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)CN1CC1CC1 C1CC1C[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
CN(Cc1cnn(-c2ccccc2)c1)Cn1ncsc1=S c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])Cn1ncsc1=S
O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cccnc1 O=C(N[*:1])c1cccnc1 c1ccc(cc1)Cc1noc(n1)-c1ccccc1[*:1]
O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cccnc1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1-c1nc(no1)[*:1])c1cccnc1
O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)[*:1]
O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cccnc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1-c1nc(C[*:1])no1)c1cccnc1
CNC(=O)c1ccc(OS(=O)(=O)c2cc(F)ccc2C)cc1 CNC(=O)[*:1] Cc1ccc(F)cc1S(=O)(=O)Oc1ccc(cc1)[*:1]
Cc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c2ccccc2n1 C1CN(CCO1)[*:1] Cc1cc(C(=O)Nc2ccc3nc(sc3c2)[*:1])c2ccccc2n1
COC(=O)C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccs1 c1csc(c1)[*:1] COC(=O)C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)[*:1]
COC(=O)C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccs1 COC(=O)C[*:1] [NH3+][C@H]1CCC[C@@H](C1)N[C@@H](c1cccs1)[*:1]
COC(=O)C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccs1 COC(=O)[*:1] [NH3+][C@H]1CCC[C@@H](C1)N[C@H](C[*:1])c1cccs1
CCC(=O)c1ccc(Oc2ccnc3cc(Cl)ccc23)cc1 CCC(=O)[*:1] Clc1ccc2c(ccnc2c1)Oc1ccc(cc1)[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)CCc1cccs1 Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)CCc1cccs1
CCN(Cc1ccc(Cl)s1)C(=O)CCc1cccs1 c1csc(c1)C[*:1] CCN(Cc1ccc(Cl)s1)C(=O)C[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)CCc1cccs1 c1csc(c1)[*:1] CCN(Cc1ccc(Cl)s1)C(=O)CC[*:1]
CCCn1cc(CNC(=O)c2cc(-c3ccc(OC)cc3)nc3onc(C)c23)cn1 COc1ccc(cc1)[*:1] CCCn1cc(cn1)CNC(=O)c1cc(nc2onc(C)c12)[*:1]
CCCn1cc(CNC(=O)c2cc(-c3ccc(OC)cc3)nc3onc(C)c23)cn1 CCC[*:1] COc1ccc(cc1)-c1cc(C(=O)NCc2cnn(c2)[*:1])c2c(C)noc2n1
CCCn1cc(CNC(=O)c2cc(-c3ccc(OC)cc3)nc3onc(C)c23)cn1 CCCn1cc(cn1)C[*:1] COc1ccc(cc1)-c1cc(C(=O)N[*:1])c2c(C)noc2n1
CCCn1cc(CNC(=O)c2cc(-c3ccc(OC)cc3)nc3onc(C)c23)cn1 CCCn1cc(cn1)[*:1] COc1ccc(cc1)-c1cc(C(=O)NC[*:1])c2c(C)noc2n1
COc1ccccc1COC1CCN(C(=O)Cc2cc(C)[nH]n2)CC1 Cc1cc(C[*:1])n[nH]1 COc1ccccc1COC1CCN(CC1)C(=O)[*:1]
COc1ccccc1COC1CCN(C(=O)Cc2cc(C)[nH]n2)CC1 COc1ccccc1[*:1] Cc1cc(CC(=O)N2CCC(CC2)OC[*:1])n[nH]1
COc1ccccc1COC1CCN(C(=O)Cc2cc(C)[nH]n2)CC1 Cc1cc(n[nH]1)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)C[*:1]
CCOc1ccccc1[C@H]1C(C#N)=C(SC)N=C2CCCC(=O)[C@H]21 CCO[*:1] CSC1N=C2CCCC(=O)[C@H]2[C@H](C=1C#N)c1ccccc1[*:1]
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COc1cccc(F)c1)C2 Fc1cccc(c1)[*:1] CC1(C)[C@H]2CC[C@]1(C)/C(C2)=N/NC(=O)CO[*:1]
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1O CCO[*:1] Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(c1)[*:1]
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1O Cc1cccc(C)c1[*:1] CCOc1cc(/C=C(\C#N)C(=O)N[*:1])cc(Br)c1O
CN1C(=O)C[C@H](NCc2ccc(N3CCCC3)[nH+]c2)[C@@H]1c1ccc(Cl)cc1 C1CCN(C1)[*:1] CN1C(=O)C[C@H](NCc2ccc([nH+]c2)[*:1])[C@@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NCc2ccc(N3CCCC3)[nH+]c2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NCc2ccc([nH+]c2)N2CCCC2)[C@H]1[*:1]
COc1cc(OC)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1 COc1cc(cc(c1)[*:1])OC O=C(N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-])[*:1]
COc1cc(OC)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1 C1CN(CCO1)[*:1] COc1cc(cc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-])OC
COc1cc(OC)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1 O=[N+]([O-])[*:1] COc1cc(cc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[*:1])OC
COc1cc(OC)c([C@H]2CC(c3ccc(Cl)cc3)=Nc3ncnn32)cc1OC Clc1ccc(cc1)[*:1] COc1cc(OC)c(cc1OC)[C@H]1CC(=Nc2ncnn21)[*:1]
CC(C)(C)Oc1cc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)ccn1 c1coc(c1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N(C[C@@H]1CCCO1)C[*:1]
CC(C)(C)Oc1cc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)ccn1 C1CO[C@@H](C1)C[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N(Cc1ccco1)[*:1]
CC(C)(C)Oc1cc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)ccn1 c1coc(c1)C[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N(C[C@@H]1CCCO1)[*:1]
CC(C)(C)Oc1cc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)ccn1 CC(C)(C)[*:1] O=C(c1ccnc(c1)O[*:1])N(Cc1ccco1)C[C@@H]1CCCO1
CC(C)(C)Oc1cc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)ccn1 CC(C)(C)O[*:1] O=C(c1ccnc(c1)[*:1])N(Cc1ccco1)C[C@@H]1CCCO1
CC(C)(C)Oc1cc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)ccn1 C1CO[C@@H](C1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N(Cc1ccco1)C[*:1]
C[C@@H](OC(=O)Cc1ccsc1)c1nc(N)nc(Nc2ccccc2)n1 c1cc(cs1)C[*:1] C[C@@H](OC(=O)[*:1])c1nc(N)nc(n1)Nc1ccccc1
C[C@@H](OC(=O)Cc1ccsc1)c1nc(N)nc(Nc2ccccc2)n1 c1cc(cs1)[*:1] C[C@@H](OC(=O)C[*:1])c1nc(N)nc(n1)Nc1ccccc1
C[C@@H](OC(=O)Cc1ccsc1)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)Cc1ccsc1)c1nc(N)nc(n1)N[*:1]
C[C@@H](OC(=O)Cc1ccsc1)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] C[C@@H](OC(=O)Cc1ccsc1)c1nc(N)nc(n1)[*:1]
O=C(Nc1cn[nH]c1)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cn[nH]c1)N[C@H]1CCCC[C@H]1O[*:1]
O=C(Nc1cn[nH]c1)N[C@H]1CCCC[C@H]1OC1CCCC1 c1n[nH]cc1[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)N[*:1]
O=C(Nc1cn[nH]c1)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(Nc1cn[nH]c1)N[C@H]1CCCC[C@@H]1[*:1]
C/C=C/C=C/C(=O)NCc1ccc(Cl)cc1 CC=C[*:1] O=C(C=C[*:1])NCc1ccc(Cl)cc1
C/C=C/C=C/C(=O)NCc1ccc(Cl)cc1 C/C=C/C=C[*:1] O=C(NCc1ccc(Cl)cc1)[*:1]
CCN1CC(=O)Nc2cc(C(=O)OCCc3scnc3C)ccc21 Cc1ncsc1C[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)OC[*:1]
CCN1CC(=O)Nc2cc(C(=O)OCCc3scnc3C)ccc21 Cc1ncsc1CC[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)O[*:1]
CCN1CC(=O)Nc2cc(C(=O)OCCc3scnc3C)ccc21 Cc1ncsc1[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)OCC[*:1]
COCCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC(C)(C)OC3 COCCS[*:1] CC1(C)Cc2c(CO1)sc1c2-c2ncnn2-c2nnc(n2-1)[*:1]
COCCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC(C)(C)OC3 COC[*:1] CC1(C)Cc2c(CO1)sc1c2-c2ncnn2-c2nnc(SC[*:1])n2-1
COCCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC(C)(C)OC3 COCC[*:1] CC1(C)Cc2c(CO1)sc1c2-c2ncnn2-c2nnc(S[*:1])n2-1
O=[N+]([O-])c1ccc(-c2nnc(CSc3nc4cc(Cl)ccc4s3)o2)cc1 O=[N+]([O-])[*:1] Clc1ccc2sc(nc2c1)SCc1nnc(o1)-c1ccc(cc1)[*:1]
COc1ccc2oc(C(=O)NCCc3ccc(F)cc3)c(C)c2c1 Fc1ccc(cc1)[*:1] COc1ccc2oc(C(=O)NCC[*:1])c(C)c2c1
COc1ccc2oc(C(=O)NCCc3ccc(F)cc3)c(C)c2c1 Fc1ccc(cc1)C[*:1] COc1ccc2oc(C(=O)NC[*:1])c(C)c2c1
C[C@H]1CC(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)C[C@H](C)O1 O=C(N[*:1])N1CCCC1 C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1cccc(c1)[*:1]
Cc1ccc([S@@](=O)Cc2nnc(-c3ccccc3C)o2)c(C)c1 Cc1ccccc1[*:1] Cc1ccc(c(C)c1)[S@@](=O)Cc1nnc(o1)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)/C=C(/C)c1ccc(F)cc1F C1C[C@H](CO1)C[*:1] CCN(C(=O)/C=C(/C)c1ccc(F)cc1F)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)/C=C(/C)c1ccc(F)cc1F C1C[C@H](CO1)[*:1] CCN(C[*:1])C(=O)/C=C(/C)c1ccc(F)cc1F
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C2)nc1 Cc1ccc(nc1)NC(=O)[*:1] N#Cc1nc(oc1N1CCC(CC1)C(=O)N1CCC[C@H](C1)[*:1])-c1ccco1
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C2)nc1 c1coc(c1)[*:1] Cc1ccc(nc1)NC(=O)[C@@H]1CCCN(C1)C(=O)C1CCN(CC1)c1oc(nc1C#N)[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C2)nc1 Cc1ccc(nc1)[*:1] N#Cc1nc(oc1N1CCC(CC1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1])-c1ccco1
CCNc1ncc(COCc2ccccc2)s1 CCN[*:1] c1ccc(cc1)COCc1cnc(s1)[*:1]
CC(C)(C)NC(=O)CC[S@@](=O)Cc1cc(Cl)ccc1Cl CC(C)(C)[*:1] O=C(CC[S@@](=O)Cc1cc(Cl)ccc1Cl)N[*:1]
CSc1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c1 Cc1ccc(c(C)c1)[*:1] CSc1cccc(c1)NC(=O)c1cncc(c1)NS(=O)(=O)[*:1]
CSc1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c1 CSc1cccc(c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1cncc(c1)C(=O)N[*:1]
Cc1cc(NC(=O)Cn2nnnc2C(C)C)ccc1C(=O)OC(C)(C)C CC(C)[*:1] Cc1cc(ccc1C(=O)OC(C)(C)C)NC(=O)Cn1nnnc1[*:1]
Cc1cc(NC(=O)Cn2nnnc2C(C)C)ccc1C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1cc(ccc1C(=O)O[*:1])NC(=O)Cn1nnnc1C(C)C
Cc1cc(NC(=O)Cn2nnnc2C(C)C)ccc1C(=O)OC(C)(C)C CC(C)(C)OC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)Cn1nnnc1C(C)C
Cc1cc(NC(=O)Cn2nnnc2C(C)C)ccc1C(=O)OC(C)(C)C CC(C)c1nnnn1[*:1] Cc1cc(ccc1C(=O)OC(C)(C)C)NC(=O)C[*:1]
COc1cc(OC)c2c(c1)OC(=O)[C@H](CC(=O)Nc1nnc(CC(C)C)s1)[C@H]2C CC(C)C[*:1] COc1cc(OC)c2c(c1)OC(=O)[C@H](CC(=O)Nc1nnc(s1)[*:1])[C@H]2C
COc1cc(OC)c2c(c1)OC(=O)[C@H](CC(=O)Nc1nnc(CC(C)C)s1)[C@H]2C CC(C)Cc1nnc(s1)[*:1] COc1cc(OC)c2c(c1)OC(=O)[C@H](CC(=O)N[*:1])[C@H]2C
COc1cc(OC)c2c(c1)OC(=O)[C@H](CC(=O)Nc1nnc(CC(C)C)s1)[C@H]2C CC(C)[*:1] COc1cc(OC)c2c(c1)OC(=O)[C@H](CC(=O)Nc1nnc(C[*:1])s1)[C@H]2C
Cc1ccc(NC(=O)Cc2nnc(-c3ccsc3)o2)cc1Cl c1cc(cs1)[*:1] Cc1ccc(cc1Cl)NC(=O)Cc1nnc(o1)[*:1]
CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 Cc1ccccc1[*:1] CCn1c(C[NH+]2CCCC2)nc2cc(ccc21)NC(=O)CO[*:1]
CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 Cc1ccccc1O[*:1] CCn1c(C[NH+]2CCCC2)nc2cc(ccc21)NC(=O)C[*:1]
CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 Cc1ccccc1OC[*:1] CCn1c(C[NH+]2CCCC2)nc2cc(ccc21)NC(=O)[*:1]
CC[C@H](C)[C@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O CC(=O)N[*:1] CC[C@H](C)[C@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)[*:1]
CC[C@H](C)[C@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O CC[C@H](C)[*:1] CC(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)[*:1]
CC(C)[C@H](CC1CCC1)[C@H](C)O C1CC(C1)[*:1] CC(C)[C@H](C[*:1])[C@H](C)O
CC(C)[C@H](CC1CCC1)[C@H](C)O C[C@H](O)[*:1] CC(C)[C@H](CC1CCC1)[*:1]
CC(C)[C@H](CC1CCC1)[C@H](C)O CC(C)[*:1] C[C@H](O)[C@@H](CC1CCC1)[*:1]
Cc1nc(CC(=O)N(Cc2ccccc2)c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)N(C[*:1])c1ccccc1
Cc1nc(CC(=O)N(Cc2ccccc2)c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)N(Cc1ccccc1)[*:1]
Cc1nc(CC(=O)N(Cc2ccccc2)c2ccccc2)cs1 c1ccc(cc1)C[*:1] Cc1nc(cs1)CC(=O)N(c1ccccc1)[*:1]
Cc1nc(CC(=O)N(Cc2ccccc2)c2ccccc2)cs1 Cc1nc(cs1)C[*:1] O=C(N(Cc1ccccc1)c1ccccc1)[*:1]
Cc1nc(CC(=O)N(Cc2ccccc2)c2ccccc2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N(Cc1ccccc1)c1ccccc1
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1=O CN(C)S(=O)(=O)[*:1] CC[C@@]1(NC(=O)N(CC(=O)Nc2cc(ccc2Cl)[*:1])C1=O)c1ccc(F)cc1
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1=O Fc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N(C)C)C1=O)[*:1]
C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)n1cccc1 NC(=O)c1ccccc1[*:1] C[C@@H](CC(=O)Nc1ccc(cc1)O[*:1])n1cccc1
C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)n1cccc1 NC(=O)[*:1] C[C@@H](CC(=O)Nc1ccc(cc1)Oc1ccccc1[*:1])n1cccc1
C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1)n1cccc1 c1ccn(c1)[*:1] C[C@@H](CC(=O)Nc1ccc(cc1)Oc1ccccc1C(N)=O)[*:1]
CCN(Cc1ccccc1)C(=O)Cn1cccc1C(=O)[O-] c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)Cn1cccc1C(=O)[O-]
CCN(Cc1ccccc1)C(=O)Cn1cccc1C(=O)[O-] c1ccc(cc1)C[*:1] CCN(C(=O)Cn1cccc1C(=O)[O-])[*:1]
CCN(Cc1ccccc1)C(=O)Cn1cccc1C(=O)[O-] O=C([O-])[*:1] CCN(Cc1ccccc1)C(=O)Cn1cccc1[*:1]
O=C(CCCn1ccc2cc(Cl)ccc21)NCc1ccc(Cl)nc1 Clc1ccc(cn1)C[*:1] O=C(CCCn1ccc2cc(Cl)ccc21)N[*:1]
O=C(CCCn1ccc2cc(Cl)ccc21)NCc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(CCCn1ccc2cc(Cl)ccc21)NC[*:1]
Cc1cc(C)cc(OCCNC(=O)NCc2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1cc(C)cc(c1)OCCNC(=O)NC[*:1]
CC(C)Oc1ccccc1NCc1cc(C(=O)[O-])cs1 CC(C)O[*:1] O=C([O-])c1csc(c1)CNc1ccccc1[*:1]
CC(C)Oc1ccccc1NCc1cc(C(=O)[O-])cs1 CC(C)[*:1] O=C([O-])c1csc(c1)CNc1ccccc1O[*:1]
CC(C)Oc1ccccc1NCc1cc(C(=O)[O-])cs1 O=C([O-])[*:1] CC(C)Oc1ccccc1NCc1cc(cs1)[*:1]
COC(=O)c1cc(CNC(=O)C[C@H](C)c2ccccc2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)C[C@H](C)c1ccccc1
COC(=O)c1cc(CNC(=O)C[C@H](C)c2ccccc2)oc1C c1ccc(cc1)[*:1] COC(=O)c1cc(CNC(=O)C[C@H](C)[*:1])oc1C
Brc1ccsc1CN1CC[C@H](C[NH+]2CCCCC2)C1 Brc1ccsc1[*:1] C1CC[NH+](CC1)C[C@H]1CCN(C1)C[*:1]
C[C@H]1C[C@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] C[C@H]1C[C@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc(c2)[*:1])o1
C[C@H]1C[C@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)o1 c1coc(c1)C[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc(c2)[N+](=O)[O-])[*:1])o1
C[C@H]1C[C@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H]1C[C@H]1c1ccc(CN(Cc2ccco2)C(=O)[*:1])o1
C[C@H]1C[C@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)o1 c1coc(c1)[*:1] C[C@H]1C[C@H]1c1ccc(CN(C[*:1])C(=O)c2cccc(c2)[N+](=O)[O-])o1
Cc1cc(C(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)[*:1]
CC(C)(NC(=O)CCn1nc2ccccn2c1=O)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CC(C)(NC(=O)CCn1nc2ccccn2c1=O)[*:1]
CCn1c(=O)c2ccccc2n2c(COc3cc(C)cc(C)c3)nnc12 Cc1cc(C)cc(c1)[*:1] CCn1c(=O)c2ccccc2n2c(CO[*:1])nnc12
Cc1ccccc1[C@H]1CCCN1C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 Cc1ccccc1[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N1CCC[C@@H]1[*:1]
Cn1c(COc2ccc(C(=O)[O-])cc2)nc2ccccc21 O=C([O-])[*:1] Cn1c(COc2ccc(cc2)[*:1])nc2ccccc21
O=C(NCc1cc(F)ccc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 Fc1ccc(F)c(c1)[*:1] O=C(NC[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
O=C(NCc1cc(F)ccc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] O=C(NCc1cc(F)ccc1F)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(NCc1cc(F)ccc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCc1cc(F)ccc1F)c1ccc(c(c1)[*:1])N1CCCC1
C[C@H]1CCc2c(sc(NC(=O)COC(=O)Cc3c[nH]c4ccccc34)c2C(N)=O)C1 c1ccc2c(c[nH]c2c1)C[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)COC(=O)[*:1])c2C(N)=O
C[C@H]1CCc2c(sc(NC(=O)COC(=O)Cc3c[nH]c4ccccc34)c2C(N)=O)C1 NC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)COC(=O)Cc1c[nH]c3ccccc13)c2[*:1]
C[C@H]1CCc2c(sc(NC(=O)COC(=O)Cc3c[nH]c4ccccc34)c2C(N)=O)C1 c1ccc2c(c[nH]c2c1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)COC(=O)C[*:1])c2C(N)=O
CCc1c(C(=O)/C=C/c2ccc(NC(C)=O)cc2)oc2ccc(C)cc12 CC(=O)N[*:1] CCc1c(oc2ccc(C)cc12)C(=O)/C=C/c1ccc(cc1)[*:1]
C[NH+](C)Cc1cccc(NC(=O)N2CCOC[C@H]2C2CC2)c1 C1CC1[*:1] C[NH+](C)Cc1cccc(c1)NC(=O)N1CCOC[C@@H]1[*:1]
CCN(c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-])c1cccc2ccccc12 O=[N+]([O-])[*:1] CCN(c1ncnc(NNC(=O)c2ccccc2Cl)c1[*:1])c1cccc2ccccc12
CCN(c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-])c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] CCN(c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-])[*:1]
CCN(c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-])c1cccc2ccccc12 Clc1ccccc1[*:1] CCN(c1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-])c1cccc2ccccc12
CCN(c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-])c1cccc2ccccc12 O=C(NN[*:1])c1ccccc1Cl CCN(c1ncnc(c1[N+](=O)[O-])[*:1])c1cccc2ccccc12
C[C@H](Sc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)C(=O)NCC(F)(F)F C1CO[C@@H](C1)C[*:1] C[C@H](Sc1nc2sc3CCCCc3c2c(=O)n1[*:1])C(=O)NCC(F)(F)F
C[C@H](Sc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)C(=O)NCC(F)(F)F C1CO[C@@H](C1)[*:1] C[C@H](Sc1nc2sc3CCCCc3c2c(=O)n1C[*:1])C(=O)NCC(F)(F)F
C[C@H](Sc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)C(=O)NCC(F)(F)F C[C@H](C(=O)NCC(F)(F)F)[*:1] O=c1c2c3CCCCc3sc2nc(S[*:1])n1C[C@@H]1CCCO1
C[C@H](Sc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@H](Sc1nc2sc3CCCCc3c2c(=O)n1C[C@@H]1CCCO1)C(=O)N[*:1]
C[C@H](Sc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)C(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@H](Sc1nc2sc3CCCCc3c2c(=O)n1C[C@@H]1CCCO1)C(=O)NC[*:1]
C[C@H](Sc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)C(=O)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] C[C@H](Sc1nc2sc3CCCCc3c2c(=O)n1C[C@@H]1CCCO1)[*:1]
CC[C@H](CSC)N(C)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O CSC[*:1] CC[C@H](N(C)C(=O)N[C@@H]1CCN(C1=O)C1CCCCC1)[*:1]
CC[C@H](CSC)N(C)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O C1CCC(CC1)[*:1] CC[C@H](CSC)N(C)C(=O)N[C@@H]1CCN(C1=O)[*:1]
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)nc2ccccc21 COc1ccc(Cl)cc1[*:1] C=CCn1c(nc2ccccc21)S[C@@H](C)C(=O)N[*:1]
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)nc2ccccc21 C=CC[*:1] COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc2ccccc2n1[*:1]
CC(C)C[C@H]1C[NH2+]CCC12Cc1ccccc1C2 CC(C)[*:1] c1ccc2CC3(CC[NH2+]C[C@@H]3C[*:1])Cc2c1
CC(C)C[C@H]1C[NH2+]CCC12Cc1ccccc1C2 CC(C)C[*:1] c1ccc2CC3(CC[NH2+]C[C@@H]3[*:1])Cc2c1
CC(=O)c1cccn1CCCS(C)(=O)=O CC(=O)[*:1] CS(=O)(=O)CCCn1cccc1[*:1]
CC(=O)c1cccn1CCCS(C)(=O)=O CS(=O)(=O)C[*:1] CC(=O)c1cccn1CC[*:1]
CC(=O)c1cccn1CCCS(C)(=O)=O CS(=O)(=O)[*:1] CC(=O)c1cccn1CCC[*:1]
COC(=O)c1sc2nc(-c3cccc(Cl)c3)[nH]c(=O)c2c1C Clc1cccc(c1)[*:1] COC(=O)c1sc2nc([nH]c(=O)c2c1C)[*:1]
COC(=O)c1sc2nc(-c3cccc(Cl)c3)[nH]c(=O)c2c1C COC(=O)[*:1] Cc1c(sc2nc([nH]c(=O)c12)-c1cccc(Cl)c1)[*:1]
CN(C(=O)[C@@]1(C)Sc2ccccc2NC1=O)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)[C@@]1(C)Sc2ccccc2NC1=O)[*:1]
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Cl)ccc1Cl c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)[*:1])Nc1cc(Cl)ccc1Cl
O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(C[NH+]1CCN(CC1)c1ccccc1)N[*:1]
C=C(C)C1=C[C@@]2(C)C(=CC1=O)CC[C@@H](O)[C@@H]2C C=C(C)[*:1] C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@@]21C)[*:1]
CN(C)C(=O)c1ccc(NC2(C[NH3+])CCCCC2)nc1 CN(C)C(=O)[*:1] [NH3+]CC1(CCCCC1)Nc1ccc(cn1)[*:1]
O=C([O-])[C@@H](F)[C@@]1(O)CCCOCC1 O=C([O-])[*:1] O[C@@]1(CCCOCC1)[C@H](F)[*:1]
COc1cccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N1CCC[C@@H]1c1nc(cc(=O)[nH]1)-c1ccccn1
COc1cccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)CC(=O)N1CCC[C@@H]1c1nc(cc(=O)[nH]1)[*:1]
COc1cccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)c1 COc1cccc(c1)C[*:1] O=C(N1CCC[C@@H]1c1nc(cc(=O)[nH]1)-c1ccccn1)[*:1]
C[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)[*:1]
C[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)C(=O)[O-] C[C@H](C(=O)[O-])[*:1] O=C(N[*:1])[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
COc1cccc(CNC(=O)[C@H](C)N[C@@H](C)c2ccc(Cl)cc2)c1 COc1cccc(c1)[*:1] C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)NC[*:1]
COc1cccc(CNC(=O)[C@H](C)N[C@@H](C)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)[C@H](C)N[C@@H](C)[*:1]
CCc1nn(C)c(Nc2cc(C(F)(F)F)ccc2C)c1N FC(F)(F)[*:1] CCc1nn(C)c(Nc2cc(ccc2C)[*:1])c1N
NC(=O)Cn1cc(C(=O)Nc2ccc(Cl)c(Br)c2)nn1 NC(=O)[*:1] O=C(Nc1ccc(Cl)c(Br)c1)c1cn(C[*:1])nn1
NC(=O)Cn1cc(C(=O)Nc2ccc(Cl)c(Br)c2)nn1 NC(=O)C[*:1] O=C(Nc1ccc(Cl)c(Br)c1)c1cn(nn1)[*:1]
C[C@H]1Oc2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2NC1=O C1CO[C@@H](C1)C[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)N(Cc1cccnc1)[*:1]
C[C@H]1Oc2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2NC1=O C1CO[C@@H](C1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)N(Cc1cccnc1)C[*:1]
C[C@H]1Oc2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2NC1=O c1cncc(c1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)N(C[C@@H]1CCCO1)C[*:1]
C[C@H]1Oc2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2NC1=O c1cncc(c1)C[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)N(C[C@@H]1CCCO1)[*:1]
CC(C)(C)c1csc(NC(=O)Cn2cccc2C(=O)[O-])n1 O=C([O-])[*:1] CC(C)(C)c1csc(n1)NC(=O)Cn1cccc1[*:1]
CC(C)(C)c1csc(NC(=O)Cn2cccc2C(=O)[O-])n1 CC(C)(C)[*:1] O=C(Cn1cccc1C(=O)[O-])Nc1nc(cs1)[*:1]
CCN1C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=NN[C@@H]1C1=CC2=C(C)C(C)=N[C@@H]2C=C1 Clc1ccc(cc1Cl)[*:1] CCN1C(=NN[C@@H]1C1C=C[C@H]2N=C(C)C(C)=C2C=1)SCC(=O)N[*:1]
O=C([O-])[C@H]1CC(=O)N(Cc2ccc3cc[nH]c3c2)C1 O=C([O-])[*:1] O=C1C[C@@H](CN1Cc1ccc2cc[nH]c2c1)[*:1]
C[NH+](CCNc1nnc(Cl)cc1C(N)=O)C1CC1 NC(=O)[*:1] C[NH+](CCNc1nnc(Cl)cc1[*:1])C1CC1
C[NH+](CCNc1nnc(Cl)cc1C(N)=O)C1CC1 C1CC1[*:1] C[NH+](CCNc1nnc(Cl)cc1C(N)=O)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC[C@@H]1c1ccncc1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N1CCC[C@@H]1c1ccncc1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)N1CCC[C@H]1[*:1])-c1ncco1
COc1ccc(-c2nnc(SCCc3ccccc3Cl)n2N)cc1 COc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCCc1ccccc1Cl
COc1ccc(-c2nnc(SCCc3ccccc3Cl)n2N)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)-c1nnc(SC[*:1])n1N
COc1ccc(-c2nnc(SCCc3ccccc3Cl)n2N)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-c1nnc(SCC[*:1])n1N
CC[C@@H]1CCCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H]1CCCCN1C(=O)NCCc1ccccc1[*:1]
O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(OCc1cn(nn1)-c1ccc(Cl)cc1)c1cccc(c1)[*:1]
O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1cccc(C(F)(F)F)c1 Clc1ccc(cc1)[*:1] O=C(OCc1cn(nn1)[*:1])c1cccc(c1)C(F)(F)F
CC1(c2cc(NC3CC3)[nH]n2)CC1 CC1(CC1)[*:1] c1c(n[nH]c1NC1CC1)[*:1]
CC1(c2cc(NC3CC3)[nH]n2)CC1 C1CC1N[*:1] CC1(CC1)c1cc([nH]n1)[*:1]
CC1(c2cc(NC3CC3)[nH]n2)CC1 C1CC1[*:1] CC1(CC1)c1cc(N[*:1])[nH]n1
CC(=O)c1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(=O)c1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 CC(=O)c1cccc(c1)[*:1] O=C(CNC(=O)[C@H]1CC(=O)N(C1)c1ccc(F)cc1)N[*:1]
CC(=O)c1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 CC(=O)[*:1] O=C(CNC(=O)[C@H]1CC(=O)N(C1)c1ccc(F)cc1)Nc1cccc(c1)[*:1]
C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC/N=C(\O)c1ncccc1O Oc1cccnc1[*:1] C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC/N=C(\O)[*:1]
C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC/N=C(\O)c1ncccc1O Clc1ccc(cc1)[*:1] C[C@@H](C[*:1])[NH2+]CC/N=C(\O)c1ncccc1O
O=C(NCCc1csc2ccccc12)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(NCCc1csc2ccccc12)C1(CCOCC1)[*:1]
Cc1ccc([C@](C)(O)CNC(=O)NC[C@@H]2CCCO2)o1 Cc1ccc(o1)[*:1] C[C@](O)(CNC(=O)NC[C@@H]1CCCO1)[*:1]
Cc1ccc([C@](C)(O)CNC(=O)NC[C@@H]2CCCO2)o1 C1CO[C@@H](C1)C[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)N[*:1]
Cc1ccc([C@](C)(O)CNC(=O)NC[C@@H]2CCCO2)o1 C1CO[C@@H](C1)[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)NC[*:1]
COC[C@@H](NC(=O)COc1c(C)cccc1C)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)COc1c(C)cccc1C)[*:1]
COC[C@@H](NC(=O)COc1c(C)cccc1C)C(N)=O COC[*:1] Cc1cccc(C)c1OCC(=O)N[C@@H](C(N)=O)[*:1]
CC(C)C(=O)N(Cc1ccco1)S(=O)(=O)c1cccc2cccnc12 c1coc(c1)C[*:1] CC(C)C(=O)N(S(=O)(=O)c1cccc2cccnc12)[*:1]
CC(C)C(=O)N(Cc1ccco1)S(=O)(=O)c1cccc2cccnc12 c1coc(c1)[*:1] CC(C)C(=O)N(C[*:1])S(=O)(=O)c1cccc2cccnc12
CC(C)C(=O)N(Cc1ccco1)S(=O)(=O)c1cccc2cccnc12 CC(C)[*:1] O=C(N(Cc1ccco1)S(=O)(=O)c1cccc2cccnc12)[*:1]
C[C@@](N)(C(=O)NCc1nnn[n-]1)C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(C(=O)NCc1nnn[n-]1)[*:1]
O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cc(Br)ccc1Cl Clc1ccc(Br)cc1[*:1] O=C(NCc1ccc(cc1)-c1nc2ncccc2o1)[*:1]
O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cc(Br)ccc1Cl c1cnc2nc(oc2c1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc(Br)ccc1Cl
CS(=O)(=O)c1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccccc3)o2)cc1 O=S(=O)(c1ccccc1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(CC[*:1])o1
CS(=O)(=O)c1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(CCS(=O)(=O)[*:1])o1
CS(=O)(=O)c1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccccc3)o2)cc1 CS(=O)(=O)[*:1] O=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccc(cc1)[*:1]
CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCCc1ccccc1OC)CS2 COc1ccccc1[*:1] CCc1c(C)nc2SC[C@@H](Cn2c1=O)C(=O)NCC[*:1]
CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCCc1ccccc1OC)CS2 COc1ccccc1C[*:1] CCc1c(C)nc2SC[C@@H](Cn2c1=O)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[*:1]
CC(C)[C@H](C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O CC(C)[*:1] C[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[*:1]
CC(C)[C@H](C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O CC(C)[C@H](C)[*:1] O=C(N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[*:1]
CC(C)[C@H](C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O O[C@H]1CCC[C@H]1[*:1] CC(C)[C@H](C)C(=O)N1CCCC[C@H]1[*:1]
Cc1cc(CSCC(=O)Nc2ccccc2Cc2ccccc2)on1 Cc1cc(CS[*:1])on1 O=C(C[*:1])Nc1ccccc1Cc1ccccc1
Cc1cc(CSCC(=O)Nc2ccccc2Cc2ccccc2)on1 c1ccc(cc1)[*:1] Cc1cc(CSCC(=O)Nc2ccccc2C[*:1])on1
Cc1cc(CSCC(=O)Nc2ccccc2Cc2ccccc2)on1 Cc1cc(C[*:1])on1 O=C(CS[*:1])Nc1ccccc1Cc1ccccc1
Cc1cc(CSCC(=O)Nc2ccccc2Cc2ccccc2)on1 c1ccc(cc1)C[*:1] Cc1cc(CSCC(=O)Nc2ccccc2[*:1])on1
Cc1cc(CSCC(=O)Nc2ccccc2Cc2ccccc2)on1 Cc1cc(on1)[*:1] O=C(CSC[*:1])Nc1ccccc1Cc1ccccc1
[NH3+][C@H](Cc1ccc2nsnc2c1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H](Cc1ccc2nsnc2c1)[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CN1C(=O)CNC1=O O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)CN1C(=O)CNC1=O)[*:1]
CN(CC(F)(F)F)C(=O)C[NH+]1CCCN(C(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] CN(CC(F)(F)F)C(=O)C[NH+]1CCCN(CC1)C(=O)[*:1]
CN(CC(F)(F)F)C(=O)C[NH+]1CCCN(C(=O)c2ccsc2)CC1 FC(F)(F)[*:1] CN(C[*:1])C(=O)C[NH+]1CCCN(CC1)C(=O)c1ccsc1
CN(CC(F)(F)F)C(=O)C[NH+]1CCCN(C(=O)c2ccsc2)CC1 FC(F)(F)C[*:1] CN(C(=O)C[NH+]1CCCN(CC1)C(=O)c1ccsc1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)C[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N1CCN(CC1)C[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 O=[N+]([O-])[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
CC(=O)NC1=C(C#N)[C@H](c2ccccc2)c2c(C)n[nH]c2O1 c1ccc(cc1)[*:1] CC(=O)NC1Oc2[nH]nc(C)c2[C@@H](C=1C#N)[*:1]
CC(=O)NC1=C(C#N)[C@H](c2ccccc2)c2c(C)n[nH]c2O1 CC(=O)N[*:1] Cc1n[nH]c2OC(=C(C#N)[C@H](c3ccccc3)c12)[*:1]
C[C@]1(C(=O)NC(=S)N(CCC#N)Cc2cccnc2)CC1(Cl)Cl c1cncc(c1)C[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NC(=S)N(CCC#N)[*:1]
C[C@]1(C(=O)NC(=S)N(CCC#N)Cc2cccnc2)CC1(Cl)Cl N#CC[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NC(=S)N(Cc1cccnc1)C[*:1]
C[C@]1(C(=O)NC(=S)N(CCC#N)Cc2cccnc2)CC1(Cl)Cl N#CCC[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NC(=S)N(Cc1cccnc1)[*:1]
C[C@]1(C(=O)NC(=S)N(CCC#N)Cc2cccnc2)CC1(Cl)Cl c1cncc(c1)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NC(=S)N(CCC#N)C[*:1]
CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CCOCC1 CC(C)[*:1] O=C(N[C@@H](C(=O)N1CCOCC1)[*:1])c1cccc(Cl)c1
CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CCOCC1 Clc1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCOCC1
C[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)ccc1NN FC(F)(F)[*:1] C[C@@H]1CCCN1C(=O)c1cc(ccc1NN)[*:1]
c1csc([C@H](CNCc2cccc3cccnc23)[NH+]2CCCC2)c1 c1csc(c1)[*:1] c1cnc2c(cccc2c1)CNC[C@H]([NH+]1CCCC1)[*:1]
COCC[NH2+]C[C@@H]1CCCO[C@H]1c1ccc2c(c1)CCO2 COC[*:1] c1cc2OCCc2cc1[C@@H]1OCCC[C@H]1C[NH2+]C[*:1]
COCC[NH2+]C[C@@H]1CCCO[C@H]1c1ccc2c(c1)CCO2 COCC[*:1] c1cc2OCCc2cc1[C@@H]1OCCC[C@H]1C[NH2+][*:1]
C[C@@H](CC(=O)[O-])Cc1nnc(C2C(C)(C)C2(C)C)o1 O=C([O-])[*:1] C[C@H](Cc1nnc(o1)C1C(C)(C)C1(C)C)C[*:1]
C[C@@H](CC(=O)[O-])Cc1nnc(C2C(C)(C)C2(C)C)o1 O=C([O-])C[*:1] C[C@@H](Cc1nnc(o1)C1C(C)(C)C1(C)C)[*:1]
O=c1[nH]c(CSc2nn(-c3ccccc3)c(=S)s2)nc2ccsc12 c1ccc(cc1)[*:1] O=c1[nH]c(CSc2nn(c(=S)s2)[*:1])nc2ccsc12
Cc1ccc(C(=O)Cn2cnc3cccc(Br)c3c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1cnc2cccc(Br)c2c1=O)[*:1]
O=C(NC[C@@H]1CC[C@@H](C(=O)[O-])O1)NC1CC1 O=C([O-])[*:1] O=C(NC[C@@H]1CC[C@@H](O1)[*:1])NC1CC1
O=C(NC[C@@H]1CC[C@@H](C(=O)[O-])O1)NC1CC1 C1CC1[*:1] O=C(NC[C@@H]1CC[C@H](O1)C(=O)[O-])N[*:1]
COc1ccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3F)CC2)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)C[NH+]1CCN(CC1)[C@H](C)C(=O)N[*:1]
[NH2+]=C1NC[C@H](c2cccc(Cl)c2Cl)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] [NH2+]=C1NC[C@H](c2cccc(Cl)c2Cl)N1[*:1]
COc1ccccc1[C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1C(=O)[O-] Cc1nc(cs1)[*:1] COc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)C[*:1]
COc1ccccc1[C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1C(=O)[O-] Cc1nc(cs1)C[*:1] COc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)[*:1]
COc1ccccc1[C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1C(=O)[O-] O=C([O-])[*:1] COc1ccccc1[C@@H]1CN(C[C@@H]1[*:1])C(=O)Cc1csc(C)n1
COc1ccccc1[C@@H]1CN(C(=O)Cc2csc(C)n2)C[C@H]1C(=O)[O-] COc1ccccc1[*:1] Cc1nc(cs1)CC(=O)N1C[C@@H](C(=O)[O-])[C@@H](C1)[*:1]
COc1ccc(OC)c([C@H](C)NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)c1 c1cc2cc(ccc2[nH]1)[*:1] COc1ccc(OC)c(c1)[C@H](C)NC(=O)C(=O)N[*:1]
CCCN/C([O-])=C(\C#N)C(=O)/C=C(/C)C(C)(C)C CC(C)(C)[*:1] CCCN/C([O-])=C(\C#N)C(=O)C=C(C)[*:1]
CCCN/C([O-])=C(\C#N)C(=O)/C=C(/C)C(C)(C)C CCCN[*:1] C/C(=C/C(=O)/C(C#N)=C(\[O-])[*:1])C(C)(C)C
CCCN/C([O-])=C(\C#N)C(=O)/C=C(/C)C(C)(C)C CCC[*:1] C/C(=C/C(=O)/C(C#N)=C(\[O-])N[*:1])C(C)(C)C
O=C(/C=C/c1ccncc1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 c1cc(ccn1)[*:1] O=C(C=C[*:1])N1C[C@H](O)C[C@H]1c1cccc(c1)C(F)(F)F
O=C(/C=C/c1ccncc1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 C(=C[*:1])c1ccncc1 O=C(N1C[C@H](O)C[C@H]1c1cccc(c1)C(F)(F)F)[*:1]
O=C(/C=C/c1ccncc1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(/C=C/c1ccncc1)N1C[C@H](O)C[C@H]1c1cccc(c1)[*:1]
Cc1cc(NC(=O)Nc2ccccc2C)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)Nc2ccccc2C)n(C[*:1])n1
Cc1cc(NC(=O)Nc2ccccc2C)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)Nc2ccccc2C)n(n1)[*:1]
Cc1cc(NC(=O)Nc2ccccc2C)n(Cc2ccccc2)n1 Cc1ccccc1[*:1] Cc1cc(NC(=O)N[*:1])n(Cc2ccccc2)n1
Cc1oc(-c2ccc(C(=O)NC3CCCC3)cc2)nc1C[S@@](=O)c1ccccc1 O=C(NC1CCCC1)[*:1] Cc1oc(nc1C[S@@](=O)c1ccccc1)-c1ccc(cc1)[*:1]
Cc1oc(-c2ccc(C(=O)NC3CCCC3)cc2)nc1C[S@@](=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1oc(nc1C[S@@](=O)[*:1])-c1ccc(cc1)C(=O)NC1CCCC1
Cc1oc(-c2ccc(C(=O)NC3CCCC3)cc2)nc1C[S@@](=O)c1ccccc1 C1CCC(C1)[*:1] Cc1oc(nc1C[S@@](=O)c1ccccc1)-c1ccc(cc1)C(=O)N[*:1]
CCOc1ccc(NC(=O)c2ccnc(NC)c2)cn1 CCO[*:1] CNc1cc(ccn1)C(=O)Nc1ccc(nc1)[*:1]
CC[C@@H](C)[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)[*:1]
CC[C@@H](C)[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] CC[C@@H](C)[*:1] O=C(Cn1ncc2ccccc2c1=O)N[C@@H](C(=O)[O-])[*:1]
Cc1ccc(C)c(OC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)OC(=O)[C@@H](C)NC(=O)c1cccc(c1)[*:1]
Cc1ccc(C)c(OC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)O[*:1]
C[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)c1cccc(c1)C[*:1])c1ccccc1
C[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cccc(c1)CS(C)(=O)=O)[*:1]
C[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccccc1 CS(=O)(=O)C[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])c1ccccc1
Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 Cc1cccc(C)c1[*:1] O=C(CN1CC[NH+](CC1)Cc1cccc(Cl)c1)N[*:1]
Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] Cc1cccc(C)c1NC(=O)CN1CC[NH+](CC1)[*:1]
Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] Cc1cccc(C)c1NC(=O)CN1CC[NH+](CC1)C[*:1]
CCOc1cc2c(cc1C[NH2+]Cc1c[nH]nc1-c1cccs1)O[C@H](C)C2 c1csc(c1)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1C[NH2+]Cc1c[nH]nc1[*:1]
CCOc1cc2c(cc1C[NH2+]Cc1c[nH]nc1-c1cccs1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)C[NH2+]Cc1c[nH]nc1-c1cccs1)[*:1]
CCc1ccsc1CNc1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccsc1CNc1cc(F)ccc1[*:1]
COc1cc(CC(=O)N2CCC[C@H]2C(=O)[O-])ccc1C O=C([O-])[*:1] COc1cc(ccc1C)CC(=O)N1CCC[C@@H]1[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(C)[nH]nc2c1 COCCO[*:1] Cc1[nH]nc2cc(ccc12)[N-]S(=O)(=O)c1cc(Cl)ccc1[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(C)[nH]nc2c1 COC[*:1] Cc1[nH]nc2cc(ccc12)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(C)[nH]nc2c1 COCC[*:1] Cc1[nH]nc2cc(ccc12)[N-]S(=O)(=O)c1cc(Cl)ccc1O[*:1]
C[C@@H]1CN(/C(=C/C#N)c2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)/C(=C/C#N)[*:1]
CCOC(=O)N1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(C)c(C)c2)CC1 Cc1ccc(cc1C)[*:1] CCOC(=O)N1CC[NH+](CC1)CC(=O)N1CCNC(=O)[C@H]1CC(=O)N[*:1]
CCOC(=O)N1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(C)c(C)c2)CC1 Cc1ccc(cc1C)NC(=O)[*:1] CCOC(=O)N1CC[NH+](CC1)CC(=O)N1CCNC(=O)[C@H]1C[*:1]
CN(C)c1nc(N)nc(COC(=O)c2cc3ccccc3c(=O)[nH]2)n1 CN(C)[*:1] Nc1nc(COC(=O)c2cc3ccccc3c(=O)[nH]2)nc(n1)[*:1]
Cc1ccc(-n2c(C)c(C[NH2+]Cc3ccc(F)cc3)c(C(=O)[O-])c2C)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-n1c(C)c(C[NH2+]Cc2ccc(F)cc2)c(c1C)[*:1]
Cc1ccc(-n2c(C)c(C[NH2+]Cc3ccc(F)cc3)c(C(=O)[O-])c2C)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1c(C)c(C[NH2+][*:1])c(C(=O)[O-])c1C
Cc1ccc(-n2c(C)c(C[NH2+]Cc3ccc(F)cc3)c(C(=O)[O-])c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(C[NH2+]Cc2ccc(F)cc2)c(C(=O)[O-])c(C)n1[*:1]
Cc1ccc(-n2c(C)c(C[NH2+]Cc3ccc(F)cc3)c(C(=O)[O-])c2C)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(C)c(C[NH2+]C[*:1])c(C(=O)[O-])c1C
O=C(c1c(Cl)cccc1Cl)N1CCN(Cc2cccc(O)c2)CC1 Oc1cccc(c1)[*:1] O=C(c1c(Cl)cccc1Cl)N1CCN(CC1)C[*:1]
O=C(c1c(Cl)cccc1Cl)N1CCN(Cc2cccc(O)c2)CC1 Oc1cccc(c1)C[*:1] O=C(c1c(Cl)cccc1Cl)N1CCN(CC1)[*:1]
O=C(c1c(Cl)cccc1Cl)N1CCN(Cc2cccc(O)c2)CC1 Clc1cccc(Cl)c1[*:1] O=C(N1CCN(CC1)Cc1cccc(O)c1)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)O[C@H](C)c1ccccn1 c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)O[C@H](C)c1ccccn1
C[C@H](NC(=O)c1cccs1)C(=O)O[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](NC(=O)c1cccs1)C(=O)O[C@H](C)[*:1]
CC[NH+](Cc1ccc(-c2ccccc2OC)cc1)CC(C)(C)O CC(C)(O)[*:1] CC[NH+](Cc1ccc(cc1)-c1ccccc1OC)C[*:1]
CCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nnnn32)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H]1C(C(C)=O)=C(C)Nc2nnnn21
CCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nnnn32)cc1OC CC(=O)[*:1] CCOc1ccc(cc1OC)[C@H]1C(=C(C)Nc2nnnn21)[*:1]
Cc1cc(CN(C)C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)NCC1(CCCC1)c1ccc(Cl)cc1
Cc1cc(CN(C)C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)no1 Clc1ccc(cc1)[*:1] Cc1cc(CN(C)C(=O)NCC2(CCCC2)[*:1])no1
Cc1cc(CN(C)C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)no1 Cc1cc(C[*:1])no1 CN(C(=O)NCC1(CCCC1)c1ccc(Cl)cc1)[*:1]
O=C(NCC1CC1)[C@@H]1CCCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)C1 C1CC1[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)C[C@@H](O)c1ccc(Cl)cc1
O=C(NCC1CC1)[C@@H]1CCCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)C1 O=C(NCC1CC1)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCC[C@H](C1)[*:1]
O=C(NCC1CC1)[C@@H]1CCCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)C1 C1CC1C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)C[C@@H](O)c1ccc(Cl)cc1
O=C(NCC1CC1)[C@@H]1CCCN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(NCC1CC1)[C@@H]1CCCN(C1)C(=O)C[C@@H](O)[*:1]
CN1CCN(C(=O)c2ccc(=O)[nH]c2)[C@H](c2ccccc2)C1 O=c1ccc(c[nH]1)[*:1] CN1CCN(C(=O)[*:1])[C@@H](C1)c1ccccc1
CN1CCN(C(=O)c2ccc(=O)[nH]c2)[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)c2ccc(=O)[nH]c2)[C@H](C1)[*:1]
CC(C)Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])n(C)n1 CC(C)C[*:1] Cn1nc(cc1C(=O)N[C@@H](CO)C(=O)[O-])[*:1]
CC(C)Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])n(C)n1 O=C([O-])[*:1] CC(C)Cc1cc(C(=O)N[C@@H](CO)[*:1])n(C)n1
CC(C)Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)N[C@@H](CO)C(=O)[O-])C[*:1]
C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCN(CCO)CC1 c1csc(c1)[*:1] C[C@@H](C(=O)N1CCC[C@@H]1[*:1])N1CCN(CCO)CC1
C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCN(CCO)CC1 OCC[*:1] C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCN(CC1)[*:1]
CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc12 CCO[*:1] C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(c2ccccc12)[*:1]
CCN(Cc1noc(C)n1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 Cc1nc(C[*:1])no1 CCN(C(=O)c1coc(COc2ccc3OCOc3c2)n1)[*:1]
CCN(Cc1noc(C)n1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 c1cc2OCOc2cc1[*:1] CCN(Cc1noc(C)n1)C(=O)c1coc(CO[*:1])n1
CCN(Cc1noc(C)n1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 Cc1nc(no1)[*:1] CCN(C[*:1])C(=O)c1coc(COc2ccc3OCOc3c2)n1
CCc1nn(C)c(N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(c1[*:1])N1CCC(CC1)C(=O)N1C[C@H](C)O[C@H](C)C1
C[C@H](NC(=O)c1csc2ccccc12)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)c1csc2ccccc12)[*:1]
CCOC(=O)c1ccc(CNC(=O)Nc2ccc(CC#N)cc2)o1 CCOC(=O)[*:1] N#CCc1ccc(cc1)NC(=O)NCc1ccc(o1)[*:1]
CCOC(=O)c1ccc(CNC(=O)Nc2ccc(CC#N)cc2)o1 N#CC[*:1] CCOC(=O)c1ccc(CNC(=O)Nc2ccc(cc2)[*:1])o1
COCCc1nc(C)c([C@@H](C)N[C@@H](C)c2ccc(C)c(F)c2)s1 COC[*:1] Cc1ccc(cc1F)[C@H](C)N[C@H](C)c1sc(C[*:1])nc1C
COCCc1nc(C)c([C@@H](C)N[C@@H](C)c2ccc(C)c(F)c2)s1 COCC[*:1] Cc1ccc(cc1F)[C@H](C)N[C@H](C)c1sc(nc1C)[*:1]
Cc1c(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nnn1-c1cccc2ncccc12 c1ccc(nc1)[*:1] Cc1c(nnn1-c1cccc2ncccc12)C(=O)N1CCC[C@H](C1)C[NH+]1CCN(CC1)[*:1]
Cc1c(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nnn1-c1cccc2ncccc12 c1cc(c2cccnc2c1)[*:1] Cc1c(nnn1[*:1])C(=O)N1CCC[C@H](C1)C[NH+]1CCN(CC1)c1ccccn1
COc1ccc(-c2noc(-c3ccc(S(=O)(=O)NC(C)C)o3)n2)cc1 CC(C)NS(=O)(=O)[*:1] COc1ccc(cc1)-c1noc(n1)-c1ccc(o1)[*:1]
COc1ccc(-c2noc(-c3ccc(S(=O)(=O)NC(C)C)o3)n2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1noc(n1)-c1ccc(o1)S(=O)(=O)N[*:1]
COc1ccc(-c2noc(-c3ccc(S(=O)(=O)NC(C)C)o3)n2)cc1 COc1ccc(cc1)[*:1] CC(C)NS(=O)(=O)c1ccc(o1)-c1nc(no1)[*:1]
O=C(Nc1ccc2c(c1)C(=O)CCC2)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccc2CCCC(=O)c2c1)C(=O)N[C@@H]1C[C@H]1[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)CSc2ccccc2F)o1 Fc1ccccc1[*:1] Cc1ccc(o1)[C@H]1CSCCN1C(=O)CS[*:1]
Cc1ccc([C@H]2CSCCN2C(=O)CSc2ccccc2F)o1 Cc1ccc(o1)[*:1] O=C(CSc1ccccc1F)N1CCSC[C@@H]1[*:1]
Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2C)c(C)c1 CN(C)C(=O)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cc(ccc1C)[*:1]
CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccn2C)cc1 CC(=O)N[*:1] Cn1cccc1C(=O)NNC(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccn2C)cc1 Cn1cccc1[*:1] CC(=O)Nc1ccc(cc1)C(=O)NNC(=O)[*:1]
COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)S(=O)(=O)N[C@H](C)[*:1]
Cc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1cc(on1)[*:1]
Cc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cc(no1)C(=O)N[*:1]
CCOC(=O)c1ccc(NC(=O)c2c([O-])[nH]c3ccccc3c2=O)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1c([O-])[nH]c2ccccc2c1=O
CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccn(CC[NH+](C)C)n1 CN(C(=O)c1ccco1)[*:1] C[NH+](C)CCn1ccc(n1)NC(=O)c1ccccc1[*:1]
CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccn(CC[NH+](C)C)n1 c1coc(c1)[*:1] CN(C(=O)[*:1])c1ccccc1C(=O)Nc1ccn(CC[NH+](C)C)n1
C[C@H]1CCCCN1C(=O)c1cc(-c2cccc(Cl)c2)on1 Clc1cccc(c1)[*:1] C[C@H]1CCCCN1C(=O)c1cc(on1)[*:1]
CCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1cccc(O)c1 Oc1cccc(c1)[*:1] CCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1[*:1]
CCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1cccc(O)c1 CCCC[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N([C@@H]3c1cccc(O)c1)[*:1]
CCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1cccc(O)c1 CCC[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(C[*:1])[C@@H]3c1cccc(O)c1
CC(C)n1ncnc1C[C@@H](C(=O)[O-])c1cccc(Br)c1 CC(C)[*:1] O=C([O-])[C@H](Cc1ncnn1[*:1])c1cccc(Br)c1
CC(C)n1ncnc1C[C@@H](C(=O)[O-])c1cccc(Br)c1 O=C([O-])[*:1] CC(C)n1ncnc1C[C@@H](c1cccc(Br)c1)[*:1]
C[C@H]1Nc2ncnn2[C@H](c2ccccc2Cl)[C@@H]1C(=O)Nc1ccccc1 Clc1ccccc1[*:1] C[C@H]1Nc2ncnn2[C@H]([C@@H]1C(=O)Nc1ccccc1)[*:1]
C[C@H]1Nc2ncnn2[C@H](c2ccccc2Cl)[C@@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1Nc2ncnn2[C@H](c2ccccc2Cl)[C@@H]1C(=O)N[*:1]
Cc1cc2occ(CC(=O)O[C@H](C)C(=O)NC3(C#N)CCCCC3)c2cc1C N#CC1(CCCCC1)[*:1] Cc1cc2occ(CC(=O)O[C@H](C)C(=O)N[*:1])c2cc1C
C=CCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] C=CCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(ccc21)[*:1]
C=CCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(S(C)(=O)=O)ccc21 C=CC[*:1] CS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)CN1C(=O)c3ccccc3C1=O)n2[*:1]
CCCCNC(=O)NC[C@@H]1COc2ccccc2O1 CCCC[*:1] O=C(NC[C@@H]1COc2ccccc2O1)N[*:1]
CCCCNC(=O)NC[C@@H]1COc2ccccc2O1 CCC[*:1] O=C(NC[C@@H]1COc2ccccc2O1)NC[*:1]
C=CCN(Cc1cccc(C)n1)Cc1cccc(C)[nH+]1 C=CC[*:1] Cc1cccc(CN(Cc2cccc(C)[nH+]2)[*:1])n1
CN1CCN(C(=O)CCn2cnc3ccccc32)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)CCn2cnc3ccccc32)[C@@H](C1)[*:1]
O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccnn1C[C@@H]1CCOC1 c1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])Nc1ccnn1C[C@@H]1CCOC1
CC1(C)CN(C(=O)CCc2nc(-c3ccco3)no2)CCO1 c1coc(c1)[*:1] CC1(C)CN(CCO1)C(=O)CCc1nc(no1)[*:1]
CC(C)[C@H](NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C)c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] CC(C)[C@H](NC(=O)N[C@@H](c1nc(no1)C1CC1)C(C)C)[*:1]
CC(C)[C@H](NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C)c1nnc2ccccn12 C1CC1c1noc(n1)[*:1] CC(C)[C@H](NC(=O)N[C@@H](C(C)C)[*:1])c1nnc2ccccn12
CC(C)[C@H](NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C)c1nnc2ccccn12 CC(C)[*:1] CC(C)[C@H](NC(=O)N[C@@H](c1nc(no1)C1CC1)[*:1])c1nnc2ccccn12
CC(C)[C@H](NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C)c1nnc2ccccn12 CC(C)[*:1] CC(C)[C@@H](NC(=O)N[C@H](c1nnc2ccccn12)[*:1])c1nc(no1)C1CC1
CC(C)[C@H](NC(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C)c1nnc2ccccn12 C1CC1[*:1] CC(C)[C@H](NC(=O)N[C@@H](c1nc(no1)[*:1])C(C)C)c1nnc2ccccn12
CC(C)CS(=O)(=O)CC(=O)N1CC[C@H](C(N)=O)c2ccccc21 NC(=O)[*:1] CC(C)CS(=O)(=O)CC(=O)N1CC[C@H](c2ccccc21)[*:1]
CC(C)CS(=O)(=O)CC(=O)N1CC[C@H](C(N)=O)c2ccccc21 CC(C)[*:1] NC(=O)[C@H]1CCN(C(=O)CS(=O)(=O)C[*:1])c2ccccc21
CC(C)CS(=O)(=O)CC(=O)N1CC[C@H](C(N)=O)c2ccccc21 CC(C)C[*:1] NC(=O)[C@H]1CCN(C(=O)CS(=O)(=O)[*:1])c2ccccc21
CC(C)CS(=O)(=O)CC(=O)N1CC[C@H](C(N)=O)c2ccccc21 CC(C)CS(=O)(=O)[*:1] NC(=O)[C@H]1CCN(C(=O)C[*:1])c2ccccc21
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1 c1ccc(cc1)[*:1] CC[C@@H]([C@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1)[*:1]
CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1 O=C1CC[C@H](CN1)[*:1] CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[*:1]
C#CC[C@H](C)OC(=O)Cc1csc(-c2ccoc2)n1 c1cc(co1)[*:1] C#CC[C@H](C)OC(=O)Cc1csc(n1)[*:1]
C#CC[C@H](C)OC(=O)Cc1csc(-c2ccoc2)n1 C#CC[*:1] C[C@H](OC(=O)Cc1csc(n1)-c1ccoc1)[*:1]
O=C1CSc2ccccc2N1C(=S)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C1CSc2ccccc2N1C(=S)Nc1ccc(cc1)[*:1]
O=C1CSc2ccccc2N1C(=S)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C1CSc2ccccc2N1C(=S)Nc1ccc(cc1)O[*:1]
CCOC(=O)/C(C#N)=C/Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 CCOC(=O)[*:1] N#CC(=CNc1nc(cs1)-c1cccc(c1)[N+](=O)[O-])[*:1]
CCOC(=O)/C(C#N)=C/Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=[N+]([O-])[*:1] CCOC(=O)/C(C#N)=C/Nc1nc(cs1)-c1cccc(c1)[*:1]
Nc1ccc2c(N(Cc3cccs3)C[C@@H]3CCCO3)nc[nH+]c2n1 c1csc(c1)C[*:1] Nc1ccc2c(nc[nH+]c2n1)N(C[C@@H]1CCCO1)[*:1]
Nc1ccc2c(N(Cc3cccs3)C[C@@H]3CCCO3)nc[nH+]c2n1 C1CO[C@@H](C1)[*:1] Nc1ccc2c(nc[nH+]c2n1)N(Cc1cccs1)C[*:1]
Nc1ccc2c(N(Cc3cccs3)C[C@@H]3CCCO3)nc[nH+]c2n1 C1CO[C@@H](C1)C[*:1] Nc1ccc2c(nc[nH+]c2n1)N(Cc1cccs1)[*:1]
Nc1ccc2c(N(Cc3cccs3)C[C@@H]3CCCO3)nc[nH+]c2n1 c1csc(c1)[*:1] Nc1ccc2c(nc[nH+]c2n1)N(C[C@@H]1CCCO1)C[*:1]
CC[C@H](NC(=O)c1cccnc1)[C@@H](O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@H](NC(=O)c1cccnc1)[C@@H](O)c1ccc(cc1)[*:1]
CC[C@H](NC(=O)c1cccnc1)[C@@H](O)c1ccc(C(F)(F)F)cc1 c1cncc(c1)[*:1] CC[C@H](NC(=O)[*:1])[C@@H](O)c1ccc(cc1)C(F)(F)F
O=C(NCCc1nnc2n1CCC2)Nc1ccccc1F Fc1ccccc1[*:1] O=C(NCCc1nnc2CCCn21)N[*:1]
CC(C)CNc1ccc(S(N)(=O)=O)c(N)c1 CC(C)C[*:1] Nc1cc(ccc1S(N)(=O)=O)N[*:1]
CC(C)CNc1ccc(S(N)(=O)=O)c(N)c1 CC(C)[*:1] Nc1cc(ccc1S(N)(=O)=O)NC[*:1]
CC(C)CNc1ccc(S(N)(=O)=O)c(N)c1 CC(C)CN[*:1] Nc1cc(ccc1S(N)(=O)=O)[*:1]
CC(C)CNc1ccc(S(N)(=O)=O)c(N)c1 NS(=O)(=O)[*:1] CC(C)CNc1ccc(c(N)c1)[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccn1 c1cnc(nc1)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N[*:1]
COC(=O)c1ccc(Cl)cc1NC(=O)N(C(C)C)C1CCN(C(C)=O)CC1 CC(=O)N1CCC(CC1)[*:1] COC(=O)c1ccc(Cl)cc1NC(=O)N(C(C)C)[*:1]
COC(=O)c1ccc(Cl)cc1NC(=O)N(C(C)C)C1CCN(C(C)=O)CC1 CC(C)[*:1] COC(=O)c1ccc(Cl)cc1NC(=O)N(C1CCN(CC1)C(C)=O)[*:1]
COC(=O)c1ccc(Cl)cc1NC(=O)N(C(C)C)C1CCN(C(C)=O)CC1 COC(=O)[*:1] CC(=O)N1CCC(CC1)N(C(=O)Nc1cc(Cl)ccc1[*:1])C(C)C
CCOC(=O)CCC(=O)c1ccc(Cl)c(C)c1 CCOC(=O)[*:1] Cc1cc(ccc1Cl)C(=O)CC[*:1]
COC(=O)c1cc(CN2CCC(=O)Nc3ccccc32)c(C)s1 COC(=O)[*:1] Cc1sc(cc1CN1CCC(=O)Nc2ccccc21)[*:1]
C[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@@H](O)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)CS[*:1]
CCCNC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC(=O)O[C@@H]3CC[C@H]2[C@]1(C)CO CCC[*:1] C[C@@]12CC[C@@H](OC(=O)N[*:1])[C@@](C)(CO)[C@@H]1CC[C@H]1OC(=O)C[C@H]12
CCCNC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC(=O)O[C@@H]3CC[C@H]2[C@]1(C)CO CCCNC(=O)O[*:1] C[C@@]12CC[C@H]([C@@](C)(CO)[C@@H]1CC[C@H]1OC(=O)C[C@H]12)[*:1]
O=C(Cc1ccccc1)NCCC(=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cc1ccccc1)NCCC(=O)N[C@H]1C[C@@H]1[*:1]
O=C(Cc1ccccc1)NCCC(=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(C[*:1])NCCC(=O)N[C@H]1C[C@H]1c1cccc(Cl)c1
O=C(Cc1ccccc1)NCCC(=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 c1ccc(cc1)C[*:1] O=C(CCNC(=O)[*:1])N[C@H]1C[C@H]1c1cccc(Cl)c1
O=C(Nc1nnc(-c2ccncc2)s1)c1cc2c(ccc3ccccc32)oc1=O c1cc(ccn1)[*:1] O=C(Nc1nnc(s1)[*:1])c1cc2c(ccc3ccccc32)oc1=O
Cc1cc(N2CCC(n3cncn3)CC2)c2cc(OC(F)F)ccc2[nH+]1 c1ncn(n1)[*:1] Cc1cc(c2cc(ccc2[nH+]1)OC(F)F)N1CCC(CC1)[*:1]
Cc1cc(N2CCC(n3cncn3)CC2)c2cc(OC(F)F)ccc2[nH+]1 FC(F)O[*:1] Cc1cc(c2cc(ccc2[nH+]1)[*:1])N1CCC(CC1)n1cncn1
Cc1cc(N2CCC(n3cncn3)CC2)c2cc(OC(F)F)ccc2[nH+]1 FC(F)[*:1] Cc1cc(c2cc(ccc2[nH+]1)O[*:1])N1CCC(CC1)n1cncn1
O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)Nc1ccc(cc1)[N+](=O)[O-]
CNC(=O)Cc1nc(CN2CCCC[C@@H]2CC(=O)OC)cs1 COC(=O)[*:1] CNC(=O)Cc1nc(cs1)CN1CCCC[C@@H]1C[*:1]
CNC(=O)Cc1nc(CN2CCCC[C@@H]2CC(=O)OC)cs1 CNC(=O)C[*:1] COC(=O)C[C@H]1CCCCN1Cc1csc(n1)[*:1]
CNC(=O)Cc1nc(CN2CCCC[C@@H]2CC(=O)OC)cs1 COC(=O)C[*:1] CNC(=O)Cc1nc(cs1)CN1CCCC[C@H]1[*:1]
CNC(=O)Cc1nc(CN2CCCC[C@@H]2CC(=O)OC)cs1 CNC(=O)[*:1] COC(=O)C[C@H]1CCCCN1Cc1csc(C[*:1])n1
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 COC(=O)[*:1] COC(=O)c1ccc(c(c1)NC(=O)[C@@H]1CC(=O)N(C1)c1cccc(C)c1)[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 Cc1cccc(c1)[*:1] COC(=O)c1ccc(C(=O)OC)c(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 COC(=O)[*:1] COC(=O)c1ccc(cc1NC(=O)[C@@H]1CC(=O)N(C1)c1cccc(C)c1)[*:1]
Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1[*:1]
CCc1cnc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)o1 O=[N+]([O-])[*:1] CCc1cnc(Cn2cnc(n2)-c2cccc(c2)[*:1])o1
CCc1cnc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)o1 CCc1cnc(o1)[*:1] O=[N+]([O-])c1cccc(c1)-c1ncn(C[*:1])n1
Cc1ccc(-c2noc(CNc3ccccc3F)n2)cc1F Fc1ccccc1[*:1] Cc1ccc(cc1F)-c1noc(CN[*:1])n1
CC[C@](C)([C@H](N)Cc1cnn(C)c1)[NH+]1CCCC1 Cn1cc(cn1)[*:1] CC[C@](C)([C@H](N)C[*:1])[NH+]1CCCC1
Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)N[C@H]4NN[C@H](C(C)C)S4)CC3=O)c2c1 CC(C)[*:1] Cc1ccc2[nH]cc(CCN3C[C@H](CC3=O)C(=O)N[C@H]3NN[C@H](S3)[*:1])c2c1
CC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1c(C)nn(C)c1C Clc1ccc(cc1)[*:1] CC[C@@H](NC(=O)C[*:1])c1c(C)nn(C)c1C
CC[C@@H](C(=O)N1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O Clc1cccc(c1)[*:1] CC[C@@H](C(=O)N1CCOCC1)N(S(C)(=O)=O)[*:1]
C[C@H]1CCC[C@H](OCC(=O)Oc2cccc(-n3cccn3)c2)C1 c1cnn(c1)[*:1] C[C@H]1CCC[C@@H](C1)OCC(=O)Oc1cccc(c1)[*:1]
CC(=O)Nc1ccccc1CN1CCN(C(=O)CCCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)Nc1ccccc1CN1CCN(CC1)C(=O)CCC[*:1]
CC(=O)Nc1ccccc1CN1CCN(C(=O)CCCc2ccccc2)CC1 c1ccc(cc1)CCC[*:1] CC(=O)Nc1ccccc1CN1CCN(CC1)C(=O)[*:1]
CC(=O)Nc1ccccc1CN1CCN(C(=O)CCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CC(=O)Nc1ccccc1CN1CCN(CC1)C(=O)C[*:1]
CC(=O)Nc1ccccc1CN1CCN(C(=O)CCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccccc1CN1CCN(CC1)C(=O)CC[*:1]
CC(=O)Nc1ccccc1CN1CCN(C(=O)CCCc2ccccc2)CC1 CC(=O)N[*:1] O=C(CCCc1ccccc1)N1CCN(CC1)Cc1ccccc1[*:1]
N#Cc1ccccc1Cn1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] N#Cc1ccccc1Cn1cc(cn1)[*:1]
C[C@H](CC(C)(C)c1ccccc1)NC(=O)NNC(=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](CC(C)(C)c1ccccc1)NC(=O)NNC(=O)[*:1]
C[C@H](CC(C)(C)c1ccccc1)NC(=O)NNC(=O)[C@H]1CCCO1 c1ccc(cc1)[*:1] C[C@H](CC(C)(C)[*:1])NC(=O)NNC(=O)[C@H]1CCCO1
C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1)[*:1]
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(OC)cc2OC)CC1=O CC[C@@H](C)[*:1] COc1ccc(NC(=O)[C@@H]2CC(=O)N(C2)c2ccccc2[*:1])c(c1)OC
C[C@H]([NH3+])c1ccc(F)cc1OCC(C)(C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH3+])c1ccc(F)cc1OCC(C)(C)[*:1]
C[C@H]([NH3+])c1ccc(F)cc1OCC(C)(C)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] C[C@H]([NH3+])c1ccc(F)cc1OC[*:1]
CNc1cc[nH+]c(N[C@@H]2CC(C)(C)Cc3nc(N(C)Cc4ccccc4)ncc32)n1 c1ccc(cc1)[*:1] CNc1cc[nH+]c(n1)N[C@@H]1CC(C)(C)Cc2nc(ncc21)N(C)C[*:1]
CNc1cc[nH+]c(N[C@@H]2CC(C)(C)Cc3nc(N(C)Cc4ccccc4)ncc32)n1 c1ccc(cc1)C[*:1] CNc1cc[nH+]c(n1)N[C@@H]1CC(C)(C)Cc2nc(ncc21)N(C)[*:1]
CNc1cc[nH+]c(N[C@@H]2CC(C)(C)Cc3nc(N(C)Cc4ccccc4)ncc32)n1 CN(Cc1ccccc1)[*:1] CNc1cc[nH+]c(n1)N[C@@H]1CC(C)(C)Cc2nc(ncc21)[*:1]
CC(C)(C)C(=O)NNC(=O)[C@@H]1CCOc2ccccc21 CC(C)(C)[*:1] O=C(NNC(=O)[*:1])[C@@H]1CCOc2ccccc21
CC[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 Cc1ccc(C)c(c1)[*:1] CC[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(CC1)[*:1]
CC[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 c1ccc(cc1)[*:1] CC[C@H](c1nnnn1CC[*:1])[NH+]1CCN(CC1)c1cc(C)ccc1C
CC[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 c1ccc(cc1)C[*:1] CC[C@H](c1nnnn1C[*:1])[NH+]1CCN(CC1)c1cc(C)ccc1C
CC[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 c1ccc(cc1)CC[*:1] CC[C@H](c1nnnn1[*:1])[NH+]1CCN(CC1)c1cc(C)ccc1C
CCNS(=O)(=O)c1ccc2c(c1)N(Cc1ccc(OCC)cn1)CC2 CCNS(=O)(=O)[*:1] CCOc1ccc(CN2CCc3ccc(cc32)[*:1])nc1
CCNS(=O)(=O)c1ccc2c(c1)N(Cc1ccc(OCC)cn1)CC2 CCO[*:1] CCNS(=O)(=O)c1ccc2CCN(Cc3ccc(cn3)[*:1])c2c1
CCOc1c(Br)cc(C=O)cc1OC CCO[*:1] COc1cc(C=O)cc(Br)c1[*:1]
CC(C)C[C@@H](C[NH3+])c1ncc(-c2cccc(Br)c2)[nH]1 CC(C)C[*:1] [NH3+]C[C@@H](c1ncc([nH]1)-c1cccc(Br)c1)[*:1]
CC(C)C[C@@H](C[NH3+])c1ncc(-c2cccc(Br)c2)[nH]1 CC(C)[*:1] [NH3+]C[C@H](C[*:1])c1ncc([nH]1)-c1cccc(Br)c1
O=C(Nc1ccc(Br)cc1)c1cc2ccccc2c(=O)[nH]1 Brc1ccc(cc1)[*:1] O=C(N[*:1])c1cc2ccccc2c(=O)[nH]1
O=C([O-])c1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 O=C([O-])[*:1] S=C(N/N=C/c1ccc(cc1)[*:1])Nc1ccccc1
O=C([O-])c1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(/C=N/NC(=S)N[*:1])cc1
Cn1cc(CCC(=O)N2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cn1 OCCC[*:1] Cn1cc(cn1)CCC(=O)N1CC[C@@H]([C@H](C1)[*:1])N1CC[NH+](C)CC1
Cn1cc(CCC(=O)N2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cn1 Cn1cc(cn1)C[*:1] C[NH+]1CCN(CC1)[C@H]1CCN(C[C@H]1CCCO)C(=O)C[*:1]
Cn1cc(CCC(=O)N2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cn1 Cn1cc(cn1)CC[*:1] C[NH+]1CCN(CC1)[C@H]1CCN(C[C@H]1CCCO)C(=O)[*:1]
Cn1cc(CCC(=O)N2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cn1 Cn1cc(cn1)[*:1] C[NH+]1CCN(CC1)[C@H]1CCN(C[C@H]1CCCO)C(=O)CC[*:1]
Cn1cc(CCC(=O)N2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cn1 OCC[*:1] Cn1cc(cn1)CCC(=O)N1CC[C@@H]([C@@H](C1)C[*:1])N1CC[NH+](C)CC1
CC[C@@](C)(NC(=O)Nc1cccc(C[NH2+]C)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)Nc1cccc(c1)C[NH2+]C)[*:1]
COc1ccc(CNC(=O)[C@H](C)N2Cc3ccccc3C2=O)cc1 COc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])N1Cc2ccccc2C1=O
N#C[C@H](NC(=O)CCOc1ccc(C=O)cc1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] N#C[C@H](NC(=O)CCOc1ccc(C=O)cc1)[*:1]
N#C[C@H](NC(=O)CCOc1ccc(C=O)cc1)c1ccc(Cl)c(Cl)c1 O=Cc1ccc(cc1)[*:1] N#C[C@H](NC(=O)CCO[*:1])c1ccc(Cl)c(Cl)c1
COC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Cl Cc1ccc(C#N)c(n1)[*:1] COC(=O)C1=C(CS[*:1])OC(N)=C(C#N)[C@H]1c1ccccc1Cl
COC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Cl Cc1ccc(C#N)c(n1)S[*:1] COC(=O)C1=C(C[*:1])OC(N)=C(C#N)[C@H]1c1ccccc1Cl
COC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Cl COC(=O)[*:1] Cc1ccc(C#N)c(n1)SCC1OC(N)=C(C#N)[C@H](C=1[*:1])c1ccccc1Cl
COC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@@H]1[*:1]
CCOC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(CC)cc2)C1 CCO[*:1] CCc1ccc(cc1)[C@H](C)C(=O)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(CC)cc2)C1 CCOC[*:1] CCc1ccc(cc1)[C@H](C)C(=O)N1CC[C@H](C1)[*:1]
CCc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)ccn1 c1nc(cs1)C[*:1] CCc1cc(ccn1)C(=O)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
CCc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)ccn1 CCc1cc(ccn1)[*:1] O=C(N1CCC[C@H](C1)c1[nH+]ccn1Cc1cscn1)[*:1]
CCc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)ccn1 c1nc(cs1)[*:1] CCc1cc(ccn1)C(=O)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
C[C@H](NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@@H](C)[*:1])n1nnc(n1)-c1ccccc1
C[C@H](NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H](C)n1nnc(n1)[*:1])c1ccc(Cl)cc1
CC1=C(C#N)[C@@H](Cc2ccccc2)C2=C(CC(C)(C)CC2=O)N1 c1ccc(cc1)C[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C#N)[*:1]
CC1=C(C#N)[C@@H](Cc2ccccc2)C2=C(CC(C)(C)CC2=O)N1 c1ccc(cc1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C[*:1])C=1C#N
Cc1cc(CN2CCN(C(=O)COc3ccccc3C)CC2)on1 Cc1ccccc1O[*:1] Cc1cc(CN2CCN(CC2)C(=O)C[*:1])on1
Cc1cc(CN2CCN(C(=O)COc3ccccc3C)CC2)on1 Cc1cc(C[*:1])on1 Cc1ccccc1OCC(=O)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)COc3ccccc3C)CC2)on1 Cc1cc(on1)[*:1] Cc1ccccc1OCC(=O)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)COc3ccccc3C)CC2)on1 Cc1ccccc1[*:1] Cc1cc(CN2CCN(CC2)C(=O)CO[*:1])on1
Cc1ccc(NC(=O)NCCn2nnc3cc(C(=O)N4CCCC4)ccc32)cc1F Cc1ccc(cc1F)[*:1] O=C(NCCn1nnc2cc(ccc21)C(=O)N1CCCC1)N[*:1]
Cc1ccc(NC(=O)NCCn2nnc3cc(C(=O)N4CCCC4)ccc32)cc1F O=C(N1CCCC1)[*:1] Cc1ccc(cc1F)NC(=O)NCCn1nnc2cc(ccc21)[*:1]
C[C@H](NNC(=S)N1CC[NH+](C)CC1)c1cnccn1 c1cnc(cn1)[*:1] C[C@H](NNC(=S)N1CC[NH+](C)CC1)[*:1]
COc1cc(Nc2cc(Cl)nc(N)n2)ccc1N1CCCC1=O O=C1CCCN1[*:1] COc1cc(ccc1[*:1])Nc1cc(Cl)nc(N)n1
CC(=O)N(c1nc(/C=C/C(=O)Nc2c(C)cccc2C)cs1)c1ccccc1F Cc1cccc(C)c1[*:1] CC(=O)N(c1nc(/C=C/C(=O)N[*:1])cs1)c1ccccc1F
CC(=O)N(c1nc(/C=C/C(=O)Nc2c(C)cccc2C)cs1)c1ccccc1F Fc1ccccc1[*:1] CC(=O)N(c1nc(/C=C/C(=O)Nc2c(C)cccc2C)cs1)[*:1]
CCCn1nc(C(=O)OC[C@@H]2CC=CC[C@@H]2C)ccc1=O CCC[*:1] C[C@H]1CC=CC[C@H]1COC(=O)c1ccc(=O)n(n1)[*:1]
CS(=O)(=O)c1nnc(NC(=O)c2ccccc2Br)s1 CS(=O)(=O)[*:1] O=C(Nc1nnc(s1)[*:1])c1ccccc1Br
CC(C)[NH2+]Cc1ncoc1-c1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)c1ccc(cc1)-c1ocnc1C[NH2+][*:1]
CC(C)[NH2+]Cc1ncoc1-c1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)[NH2+]Cc1ncoc1-c1ccc(cc1)[*:1]
CC(=O)c1csc(NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)n1 CC(=O)[*:1] C[C@@H](C(=O)Nc1nc(cs1)[*:1])c1ccc(Cl)c(Cl)c1
CC(C)Cc1cn(CC2CCN(C(=O)[C@H](C)n3cncn3)CC2)nn1 CC(C)C[*:1] C[C@@H](C(=O)N1CCC(CC1)Cn1cc(nn1)[*:1])n1cncn1
CC(C)Cc1cn(CC2CCN(C(=O)[C@H](C)n3cncn3)CC2)nn1 c1ncn(n1)[*:1] CC(C)Cc1cn(CC2CCN(CC2)C(=O)[C@H](C)[*:1])nn1
CC(C)Cc1cn(CC2CCN(C(=O)[C@H](C)n3cncn3)CC2)nn1 CC(C)[*:1] C[C@@H](C(=O)N1CCC(CC1)Cn1cc(C[*:1])nn1)n1cncn1
C[C@@H](NC(=O)Nc1ccc2c(c1)COC2)c1ccc(N2C(=O)NC[C@H]2C)cc1 c1cc2COCc2cc1[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)N1C(=O)NC[C@H]1C
CCOc1c(F)cccc1C(=O)[O-] O=C([O-])[*:1] CCOc1c(F)cccc1[*:1]
CCOc1c(F)cccc1C(=O)[O-] CCO[*:1] O=C([O-])c1cccc(F)c1[*:1]
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1F O=C([O-])[*:1] O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCC[C@@H]1[*:1]
NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2cccc(-c3ccccc3)c2)CC1 NC(=O)C1CCN(CC1)C(=O)[*:1] O=C(/C=C/c1cccc(c1)-c1ccccc1)Nc1ccccc1[*:1]
NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2cccc(-c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccccc1NC(=O)/C=C/c1cccc(c1)[*:1]
NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2cccc(-c3ccccc3)c2)CC1 NC(=O)[*:1] O=C(/C=C/c1cccc(c1)-c1ccccc1)Nc1ccccc1C(=O)N1CCC(CC1)[*:1]
Cc1nn(C)cc1CN1C[C@H](C)O[C@H](c2ccsc2)C1 c1cc(cs1)[*:1] Cc1nn(C)cc1CN1C[C@H](C)O[C@H](C1)[*:1]
CCOc1ccc2c(c1)C(=O)C(=O)N2Cc1cc2c(cc1Cl)OCO2 CCO[*:1] O=C1C(=O)N(Cc2cc3OCOc3cc2Cl)c2ccc(cc21)[*:1]
CC/C=C(/C)C(=O)N1CCCCc2ccccc21 CCC=C(C)[*:1] O=C(N1CCCCc2ccccc21)[*:1]
COc1ccc(-c2nnc(SCc3cc4c(cc3Br)OCO4)o2)cc1 COc1ccc(cc1)[*:1] Brc1cc2OCOc2cc1CSc1nnc(o1)[*:1]
CC(=O)c1ccc(NC(=O)Cn2nc3c(N4CCCCC4)nc4ccccc4n3c2=O)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Cn1nc2c(nc3ccccc3n2c1=O)N1CCCCC1)N[*:1]
CC(=O)c1ccc(NC(=O)Cn2nc3c(N4CCCCC4)nc4ccccc4n3c2=O)cc1 CC(=O)[*:1] O=C(Cn1nc2c(nc3ccccc3n2c1=O)N1CCCCC1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)Cn2nc3c(N4CCCCC4)nc4ccccc4n3c2=O)cc1 C1CCN(CC1)[*:1] CC(=O)c1ccc(cc1)NC(=O)Cn1nc2c(nc3ccccc3n2c1=O)[*:1]
CCC[C@@H](CC=O)NC(=O)OC(C)(C)C CCC[*:1] CC(C)(C)OC(=O)N[C@H](CC=O)[*:1]
CCC[C@@H](CC=O)NC(=O)OC(C)(C)C O=CC[*:1] CCC[C@@H](NC(=O)OC(C)(C)C)[*:1]
CCC[C@@H](CC=O)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CCC[C@@H](CC=O)NC(=O)O[*:1]
CCN(NC(=O)c1cc(-c2ccccc2OC)on1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(NC(=O)c1cc(on1)-c1ccccc1OC)[*:1]
CCN(NC(=O)c1cc(-c2ccccc2OC)on1)c1ccc(C)cc1 COc1ccccc1[*:1] CCN(NC(=O)c1cc(on1)[*:1])c1ccc(C)cc1
CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H](c1nccs1)C1CC1 c1csc(n1)[*:1] CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H](C1CC1)[*:1]
CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H](c1nccs1)C1CC1 C1CC1[*:1] CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H](c1nccs1)[*:1]
CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H](c1nccs1)C1CC1 CC[C@H](C)[*:1] C[C@](O)(CNC(=O)N[C@@H](c1nccs1)C1CC1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cc2C[C@H]1C CN1CCN(CC1)C(=O)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N1CCC(CC1)[*:1]
COc1c(F)cccc1C(=O)Cl O=C(Cl)[*:1] COc1c(F)cccc1[*:1]
COC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] COC(=O)Nc1ccc(cc1)NC(=O)N1CCC[C@@H]1[*:1]
COC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)cc1 COC(=O)N[*:1] Cc1ccc(cc1C)[C@@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
O=C(CSCc1ccc(C(F)(F)F)cc1)NC1CC1 C1CC1[*:1] O=C(CSCc1ccc(cc1)C(F)(F)F)N[*:1]
O=C(CSCc1ccc(C(F)(F)F)cc1)NC1CC1 FC(F)(F)[*:1] O=C(CSCc1ccc(cc1)[*:1])NC1CC1
O=C(CSCc1ccc(C(F)(F)F)cc1)NC1CC1 O=C(NC1CC1)[*:1] FC(F)(F)c1ccc(cc1)CSC[*:1]
CCOC(=O)/C=C/C(=O)NC(=S)Nc1cccc(C#N)c1 CCOC(=O)[*:1] N#Cc1cccc(c1)NC(=S)NC(=O)C=C[*:1]
CCOC(=O)/C=C/C(=O)NC(=S)Nc1cccc(C#N)c1 CCOC(=O)C=C[*:1] N#Cc1cccc(c1)NC(=S)NC(=O)[*:1]
Cc1cn([C@H]2C[C@H](NC(=O)C(C)C)[C@H](CO)O2)c(=O)[nH]c1=O CC(C)C(=O)N[*:1] Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@H]([C@H](CO)O1)[*:1]
Cc1cn([C@H]2C[C@H](NC(=O)C(C)C)[C@H](CO)O2)c(=O)[nH]c1=O CC(C)[*:1] Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@H](NC(=O)[*:1])[C@H](CO)O1
Cc1cncc(NC(=O)c2sc3cccc(F)c3c2C)c1 Cc1cncc(c1)[*:1] Cc1c(sc2cccc(F)c12)C(=O)N[*:1]
Nc1[nH]nc(NCc2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] Nc1[nH]nc(NC[*:1])c1C(=O)Nc1cccc(c1)C(F)(F)F
Nc1[nH]nc(NCc2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)C[*:1] Nc1[nH]nc(N[*:1])c1C(=O)Nc1cccc(c1)C(F)(F)F
Nc1[nH]nc(NCc2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Nc1[nH]nc(NCc2ccccc2)c1C(=O)Nc1cccc(c1)[*:1]
Nc1[nH]nc(NCc2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)CN[*:1] Nc1[nH]nc(c1C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
Cc1cscc1C[NH2+]CC(=O)NC1CCCCCC1 Cc1cscc1[*:1] O=C(C[NH2+]C[*:1])NC1CCCCCC1
C[C@H](c1nc(N)nc(N(C)C)n1)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 CN(C)[*:1] C[C@H](c1nc(N)nc(n1)[*:1])N(C)C[C@@H]1CCN(Cc2ccccc2)C1
C[C@H](c1nc(N)nc(N(C)C)n1)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@H](c1nc(N)nc(n1)N(C)C)N(C)C[C@@H]1CCN(C1)[*:1]
C[C@H](c1nc(N)nc(N(C)C)n1)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](c1nc(N)nc(n1)N(C)C)N(C)C[C@@H]1CCN(C1)C[*:1]
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(S(=O)(=O)c1ccccc1F)CC2 Fc1ccccc1[*:1] CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(CC2)S(=O)(=O)[*:1]
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(S(=O)(=O)c1ccccc1F)CC2 O=C([O-])[*:1] CN1C(=O)C[C@@H](C12CCN(CC2)S(=O)(=O)c1ccccc1F)[*:1]
O[C@@H](CSc1ccc(Cl)cc1)[C@@H]1CCOC2(CCCC2)C1 Clc1ccc(cc1)[*:1] O[C@@H](CS[*:1])[C@@H]1CCOC2(CCCC2)C1
COc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)c1 Cc1cc(C)c(c(C)c1)[*:1] COc1cccc(c1)N1CC[NH+](CC1)[C@@H](C)C(=O)N[*:1]
COc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)c1 COc1cccc(c1)[*:1] Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCN(CC2)[*:1])c(C)c1
COc1cc(/C=C\C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc(OC)c1OC O=[N+]([O-])[*:1] COc1cc(/C=C\C(=O)c2cc3cc(ccc3oc2=O)[*:1])cc(OC)c1OC
O[C@H](CCC(F)(F)F)Cc1ccc(F)c(Br)c1 FC(F)(F)[*:1] O[C@H](CC[*:1])Cc1ccc(F)c(Br)c1
O[C@H](CCC(F)(F)F)Cc1ccc(F)c(Br)c1 FC(F)(F)C[*:1] O[C@@H](Cc1ccc(F)c(Br)c1)C[*:1]
Cc1ccc(C)c(C(=O)Nc2cccc(OCCCC#N)c2)c1 N#CCC[*:1] Cc1ccc(C)c(c1)C(=O)Nc1cccc(c1)OC[*:1]
Cc1ccc(C)c(C(=O)Nc2cccc(OCCCC#N)c2)c1 N#CCCC[*:1] Cc1ccc(C)c(c1)C(=O)Nc1cccc(c1)O[*:1]
Cc1ccc(C)c(C(=O)Nc2cccc(OCCCC#N)c2)c1 N#CC[*:1] Cc1ccc(C)c(c1)C(=O)Nc1cccc(c1)OCC[*:1]
Cc1ccc(C)c(C(=O)Nc2cccc(OCCCC#N)c2)c1 N#CCCCO[*:1] Cc1ccc(C)c(c1)C(=O)Nc1cccc(c1)[*:1]
O=C(NCC1(O)CCSCC1)c1cc2ccccc2cc1OC(F)F OC1(CCSCC1)C[*:1] O=C(N[*:1])c1cc2ccccc2cc1OC(F)F
O=C(NCC1(O)CCSCC1)c1cc2ccccc2cc1OC(F)F FC(F)O[*:1] O=C(NCC1(O)CCSCC1)c1cc2ccccc2cc1[*:1]
O=C(NCC1(O)CCSCC1)c1cc2ccccc2cc1OC(F)F FC(F)[*:1] O=C(NCC1(O)CCSCC1)c1cc2ccccc2cc1O[*:1]
O=C(NCC1(O)CCSCC1)c1cc2ccccc2cc1OC(F)F OC1(CCSCC1)[*:1] O=C(NC[*:1])c1cc2ccccc2cc1OC(F)F
O=C(NCC1CC1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCC1CC1)NC[C@@H](O)c1cccc(c1)[*:1]
O=C(NCC1CC1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 C1CC1C[*:1] O=C(NC[C@@H](O)c1cccc(c1)C(F)(F)F)N[*:1]
O=C(NCC1CC1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 C1CC1[*:1] O=C(NC[C@@H](O)c1cccc(c1)C(F)(F)F)NC[*:1]
O=c1oc2cccnc2n1CC[NH+](Cc1ccccc1F)C1CCCCC1 C1CCC(CC1)[*:1] O=c1oc2cccnc2n1CC[NH+](Cc1ccccc1F)[*:1]
O=c1oc2cccnc2n1CC[NH+](Cc1ccccc1F)C1CCCCC1 Fc1ccccc1[*:1] O=c1oc2cccnc2n1CC[NH+](C[*:1])C1CCCCC1
O=c1oc2cccnc2n1CC[NH+](Cc1ccccc1F)C1CCCCC1 Fc1ccccc1C[*:1] O=c1oc2cccnc2n1CC[NH+](C1CCCCC1)[*:1]
OCCC1CCC(Nc2ncccn2)CC1 OCC[*:1] c1cnc(nc1)NC1CCC(CC1)[*:1]
CC[C@@H](Oc1cccc(C)c1)C(=O)O[C@@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@@H](Oc1cccc(C)c1)C(=O)O[C@@H](C)[*:1]
CC[C@@H](Oc1cccc(C)c1)C(=O)O[C@@H](C)[C@H]1CCCO1 Cc1cccc(c1)[*:1] CC[C@@H](O[*:1])C(=O)O[C@@H](C)[C@H]1CCCO1
C[C@](O)(CNC(=O)[C@@H]1CC=CCC1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@](O)(CNC(=O)[C@@H]1CC=CCC1)C[*:1]
CCn1cc[nH+]c1CN1CCN(c2nccs2)[C@H](C)C1 c1csc(n1)[*:1] CCn1cc[nH+]c1CN1CCN([C@H](C)C1)[*:1]
O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)C1CCCCCC1 Fc1ccccc1[*:1] O=C(NCCN1C(=O)SC(=C[*:1])C1=O)C1CCCCCC1
O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)C1CCCCCC1 C1CCCC(CC1)[*:1] O=C1S/C(=C\c2ccccc2F)C(=O)N1CCNC(=O)[*:1]
COc1ccc(C2CC([NH2+]CC3C(C)(C)C3(C)C)C2)cc1 CC1(C)C(C1(C)C)[*:1] COc1ccc(cc1)C1CC(C1)[NH2+]C[*:1]
N#CCC(=O)Nc1cccc(Br)c1F N#CC[*:1] O=C(Nc1cccc(Br)c1F)[*:1]
COc1ccc([C@@H](C)n2nccc2N)cc1OC Nc1ccnn1[*:1] COc1ccc(cc1OC)[C@@H](C)[*:1]
CC1CCC(NC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC1CCC(CC1)NC(=O)NCCNS(=O)(=O)[*:1]
CC1CCC(NC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 CC1CCC(CC1)[*:1] O=C(NCCNS(=O)(=O)c1ccccc1)N[*:1]
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccco1 COc1ccc(cc1OC)[*:1] CCOC(=O)C1=C(C)N=c2sc(=C[*:1])c(=O)n2[C@@H]1c1ccco1
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccco1 c1coc(c1)[*:1] CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(c3)OC)c(=O)n2[C@H]1[*:1]
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccco1 CCOC(=O)[*:1] COc1ccc(/C=c2/sc3=NC(C)=C([C@@H](c4ccco4)n3c2=O)[*:1])cc1OC
O=C1C(=O)N(Cc2cscn2)c2cc(F)c(Cl)cc21 c1nc(cs1)C[*:1] O=C1C(=O)N(c2cc(F)c(Cl)cc21)[*:1]
O=C1C(=O)N(Cc2cscn2)c2cc(F)c(Cl)cc21 c1nc(cs1)[*:1] O=C1C(=O)N(C[*:1])c2cc(F)c(Cl)cc21
C[C@@H](NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](NC(=O)N[C@H](C)c1cccc(c1)-n1ccnc1)C(=O)N[*:1]
C[C@@H](NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)C(=O)NC(C)(C)C c1cn(cn1)[*:1] C[C@@H](NC(=O)N[C@H](C)c1cccc(c1)[*:1])C(=O)NC(C)(C)C
C[C@@H](NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](NC(=O)N[C@H](C)[*:1])c1cccc(c1)-n1ccnc1
CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(C(C)C)cc4)c3)nc2)n1 CC(C)[*:1] CCc1noc(n1)-c1ccc(nc1)-n1cnc(c1)C(=O)NCc1ccc(cc1)[*:1]
CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(C(C)C)cc4)c3)nc2)n1 CC(C)c1ccc(cc1)C[*:1] CCc1noc(n1)-c1ccc(nc1)-n1cnc(c1)C(=O)N[*:1]
CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(C(C)C)cc4)c3)nc2)n1 CCc1noc(n1)[*:1] CC(C)c1ccc(cc1)CNC(=O)c1cn(cn1)-c1ccc(cn1)[*:1]
CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(C(C)C)cc4)c3)nc2)n1 CC(C)c1ccc(cc1)[*:1] CCc1noc(n1)-c1ccc(nc1)-n1cnc(c1)C(=O)NC[*:1]
c1ccc([C@H]2C[NH2+][C@H]3CCCc4ccccc4[C@@H]3O2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)CCC[C@@H]1[NH2+]C[C@@H](O[C@@H]21)[*:1]
CCc1nc(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)sc1C CS(=O)(=O)[*:1] CCc1nc(NC(=O)c2cc(ccc2Cl)[*:1])sc1C
NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC1CCCCC1 NC(=O)[*:1] O=C(CC1CCCCC1)N1Cc2ccccc2C[C@@H]1[*:1]
NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC1CCCCC1 C1CCC(CC1)C[*:1] NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[*:1]
NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC1CCCCC1 C1CCC(CC1)[*:1] NC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[*:1]
Cc1nc2nc(NCc3ccc(Cl)cc3)nn2c([O-])c1Cl Clc1ccc(cc1)[*:1] Cc1nc2nc(nn2c([O-])c1Cl)NC[*:1]
COc1cc([C@@H](C)N[C@@H](C)Cc2cc(C)[nH]n2)ccc1SC Cc1cc(n[nH]1)[*:1] COc1cc(ccc1SC)[C@@H](C)N[C@@H](C)C[*:1]
COc1cc([C@@H](C)N[C@@H](C)Cc2cc(C)[nH]n2)ccc1SC Cc1cc(C[*:1])n[nH]1 COc1cc(ccc1SC)[C@@H](C)N[C@@H](C)[*:1]
O=C(NCCc1cccnc1)c1c(Cl)ccc(Cl)c1Cl c1cncc(c1)[*:1] O=C(NCC[*:1])c1c(Cl)ccc(Cl)c1Cl
C[C@@H]1CN(S(=O)(=O)N(Cc2ccccc2)CC(F)F)CCO1 c1ccc(cc1)[*:1] C[C@@H]1CN(CCO1)S(=O)(=O)N(CC(F)F)C[*:1]
C[C@@H]1CN(S(=O)(=O)N(Cc2ccccc2)CC(F)F)CCO1 FC(F)C[*:1] C[C@@H]1CN(CCO1)S(=O)(=O)N(Cc1ccccc1)[*:1]
C[C@@H]1CN(S(=O)(=O)N(Cc2ccccc2)CC(F)F)CCO1 FC(F)[*:1] C[C@@H]1CN(CCO1)S(=O)(=O)N(Cc1ccccc1)C[*:1]
C[C@@H]1CN(S(=O)(=O)N(Cc2ccccc2)CC(F)F)CCO1 c1ccc(cc1)C[*:1] C[C@@H]1CN(CCO1)S(=O)(=O)N(CC(F)F)[*:1]
CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)cs1 c1ccc(nc1)[*:1] CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc(cs1)[*:1]
COc1ccccc1COC(=O)/C=C\c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1COC(=O)/C=C\c1ccccc1[*:1]
Nc1cccc(CC(=O)N2CC(C(=O)[O-])C2)c1 O=C([O-])[*:1] Nc1cccc(c1)CC(=O)N1CC(C1)[*:1]
c1coc(-c2nnc(C3CC[NH2+]CC3)s2)c1 c1coc(c1)[*:1] C1CC(CC[NH2+]1)c1nnc(s1)[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)C[NH2+]CC(F)(F)F CN(C)[*:1] O=C(C[NH2+]CC(F)(F)F)Nc1cc(Cl)ccc1[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)C[NH2+]CC(F)(F)F FC(F)(F)[*:1] CN(C)c1ccc(Cl)cc1NC(=O)C[NH2+]C[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)C[NH2+]CC(F)(F)F FC(F)(F)C[*:1] CN(C)c1ccc(Cl)cc1NC(=O)C[NH2+][*:1]
Cc1ccccc1NC(=O)CCCN1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C Cc1ccccc1[*:1] CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCC(=O)N[*:1])C2=O
CC[C@@H](C)C[C@H](C)NC(=O)N(C)Cc1ccc(Br)o1 Brc1ccc(o1)[*:1] CC[C@@H](C)C[C@H](C)NC(=O)N(C)C[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)N(C)Cc1ccc(Br)o1 CC[C@@H](C)C[*:1] C[C@H](NC(=O)N(C)Cc1ccc(Br)o1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)N(C)Cc1ccc(Br)o1 CC[C@@H](C)[*:1] C[C@@H](C[*:1])NC(=O)N(C)Cc1ccc(Br)o1
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)n4c(C)nc5ccccc54)c3n2)cc1 Cc1ccc(cc1)[*:1] Cc1nc2ccccc2n1C(=O)c1cnn2c(cc(nc12)[*:1])C(F)F
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)n4c(C)nc5ccccc54)c3n2)cc1 FC(F)[*:1] Cc1ccc(cc1)-c1cc(n2ncc(C(=O)n3c(C)nc4ccccc43)c2n1)[*:1]
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1n[nH]c([O-])n1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)c1n[nH]c([O-])n1)NC(=O)[*:1]
CC[NH+](CCCS(=O)(=O)c1ccc(C)cc1)C1CC1 C1CC1[*:1] CC[NH+](CCCS(=O)(=O)c1ccc(C)cc1)[*:1]
O=C1C[C@H](C(=O)N2CCOC[C@@H]2C2CC2)CN1C1CCCCCC1 C1CC1[*:1] O=C1C[C@@H](CN1C1CCCCCC1)C(=O)N1CCOC[C@H]1[*:1]
O=C1C[C@H](C(=O)N2CCOC[C@@H]2C2CC2)CN1C1CCCCCC1 C1CCCC(CC1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCOC[C@@H]1C1CC1
CC(C)Oc1ccccc1Cn1nc(C(C)(C)C)ccc1=O CC(C)[*:1] CC(C)(C)c1ccc(=O)n(Cc2ccccc2O[*:1])n1
CC(C)Oc1ccccc1Cn1nc(C(C)(C)C)ccc1=O CC(C)(C)[*:1] CC(C)Oc1ccccc1Cn1nc(ccc1=O)[*:1]
CC(C)Oc1ccccc1Cn1nc(C(C)(C)C)ccc1=O CC(C)O[*:1] CC(C)(C)c1ccc(=O)n(Cc2ccccc2[*:1])n1
C[C@@H](Sc1ccccn1)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1cccc(c1)CN1CC[NH+](C)CC1
C[C@@H](Sc1ccccn1)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 c1ccc(nc1)S[*:1] C[C@@H](C(=O)Nc1cccc(c1)CN1CC[NH+](C)CC1)[*:1]
CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1OC CCC[*:1] COc1ccc(cc1C(=O)N[*:1])S(=O)(=O)Nc1ccccc1C
CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1OC CCCNC(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccccc1C
CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1OC Cc1ccccc1[*:1] CCCNC(=O)c1cc(ccc1OC)S(=O)(=O)N[*:1]
O=S(=O)([N-]c1n[nH]c(SCc2ccc(Cl)cc2)n1)c1ccc2c(c1)CCO2 Clc1ccc(cc1)CS[*:1] O=S(=O)([N-]c1n[nH]c(n1)[*:1])c1ccc2OCCc2c1
O=S(=O)([N-]c1n[nH]c(SCc2ccc(Cl)cc2)n1)c1ccc2c(c1)CCO2 c1cc2OCCc2cc1[*:1] O=S(=O)([N-]c1n[nH]c(n1)SCc1ccc(Cl)cc1)[*:1]
O=S(=O)([N-]c1n[nH]c(SCc2ccc(Cl)cc2)n1)c1ccc2c(c1)CCO2 Clc1ccc(cc1)[*:1] O=S(=O)([N-]c1n[nH]c(n1)SC[*:1])c1ccc2OCCc2c1
O=S(=O)([N-]c1n[nH]c(SCc2ccc(Cl)cc2)n1)c1ccc2c(c1)CCO2 Clc1ccc(cc1)C[*:1] O=S(=O)([N-]c1n[nH]c(n1)S[*:1])c1ccc2OCCc2c1
CC(=O)N1N=C(c2c(-c3ccccc3)c3ccccc3[nH]c2=O)C[C@@H]1c1ccco1 c1ccc(cc1)[*:1] CC(=O)N1N=C(C[C@@H]1c1ccco1)c1c(c2ccccc2[nH]c1=O)[*:1]
CC(=O)N1N=C(c2c(-c3ccccc3)c3ccccc3[nH]c2=O)C[C@@H]1c1ccco1 c1coc(c1)[*:1] CC(=O)N1N=C(C[C@H]1[*:1])c1c(-c2ccccc2)c2ccccc2[nH]c1=O
CCO[C@@H]1C[C@H]([O-])C12CCN(C(=O)c1ccccc1)CC2 c1ccc(cc1)[*:1] CCO[C@@H]1C[C@H]([O-])C12CCN(CC2)C(=O)[*:1]
CCO[C@@H]1C[C@H]([O-])C12CCN(C(=O)c1ccccc1)CC2 CCO[*:1] O=C(c1ccccc1)N1CCC2(CC1)[C@@H]([O-])C[C@H]2[*:1]
C[NH+](C)CCN(Cc1cccnc1)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 c1cncc(c1)C[*:1] C[NH+](C)CCN(C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C)[*:1]
C[NH+](C)CCN(Cc1cccnc1)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 c1cncc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C
Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1[*:1]
Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 Cc1ccccc1[*:1] O=C(CSc1nnnn1[*:1])Nc1ccccc1C(=O)NC1CCCC1
Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)N[*:1]
O=C(c1ccccn1)N1CCCSc2ccccc21 c1ccc(nc1)[*:1] O=C(N1CCCSc2ccccc21)[*:1]
Cc1cncc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 Cc1cncc(c1)[*:1] C[NH+](C)[C@H]1CCC[C@@H](C1)NC(=O)C(=O)N[*:1]
CCOC(=O)CN(CC)Cc1cc(O)ccc1Br CCOC(=O)C[*:1] CCN(Cc1cc(O)ccc1Br)[*:1]
CCOC(=O)CN(CC)Cc1cc(O)ccc1Br CCOC(=O)[*:1] CCN(Cc1cc(O)ccc1Br)C[*:1]
CS(=O)(=O)CC1(CC(=O)OC[C@@H]2CCCc3ccccc32)CC1 CS(=O)(=O)[*:1] O=C(CC1(CC1)C[*:1])OC[C@@H]1CCCc2ccccc21
CS(=O)(=O)CC1(CC(=O)OC[C@@H]2CCCc3ccccc32)CC1 CS(=O)(=O)C[*:1] O=C(CC1(CC1)[*:1])OC[C@@H]1CCCc2ccccc21
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N(C)C
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1NC(C)=O CN(C)S(=O)(=O)[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)Nc1ccc(cc1)[*:1]
C[C@H]([NH3+])Cc1cc(F)c(OCCS(C)(=O)=O)c(F)c1 CS(=O)(=O)C[*:1] C[C@H]([NH3+])Cc1cc(F)c(OC[*:1])c(F)c1
C[C@H]([NH3+])Cc1cc(F)c(OCCS(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] C[C@H]([NH3+])Cc1cc(F)c(OCC[*:1])c(F)c1
C[C@H]([NH3+])Cc1cc(F)c(OCCS(C)(=O)=O)c(F)c1 CS(=O)(=O)CC[*:1] C[C@H]([NH3+])Cc1cc(F)c(O[*:1])c(F)c1
CCC[C@@]1(C2CCN(C(=O)c3noc4c3CCCC4)CC2)NC(=O)N(CCc2ccccn2)C1=O C1CCc2c(noc2C1)[*:1] CCC[C@]1(NC(=O)N(CCc2ccccn2)C1=O)C1CCN(CC1)C(=O)[*:1]
CCC[C@@]1(C2CCN(C(=O)c3noc4c3CCCC4)CC2)NC(=O)N(CCc2ccccn2)C1=O CCC[*:1] O=C(c1noc2CCCCc12)N1CCC(CC1)[C@]1(NC(=O)N(CCc2ccccn2)C1=O)[*:1]
CCC[C@@]1(C2CCN(C(=O)c3noc4c3CCCC4)CC2)NC(=O)N(CCc2ccccn2)C1=O c1ccc(C[*:1])nc1 CCC[C@]1(NC(=O)N(C[*:1])C1=O)C1CCN(CC1)C(=O)c1noc2CCCCc12
CCC[C@@]1(C2CCN(C(=O)c3noc4c3CCCC4)CC2)NC(=O)N(CCc2ccccn2)C1=O c1ccc(nc1)[*:1] CCC[C@]1(NC(=O)N(CC[*:1])C1=O)C1CCN(CC1)C(=O)c1noc2CCCCc12
CCC[C@@]1(C2CCN(C(=O)c3noc4c3CCCC4)CC2)NC(=O)N(CCc2ccccn2)C1=O c1ccc(CC[*:1])nc1 CCC[C@]1(NC(=O)N(C1=O)[*:1])C1CCN(CC1)C(=O)c1noc2CCCCc12
Cc1ccc([C@@H](C)NC(=O)CCOCc2ccccc2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)CCOC[*:1]
Cc1ccc([C@@H](C)NC(=O)CCOCc2ccccc2)cc1F c1ccc(cc1)C[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)CCO[*:1]
COc1ccc(C)cc1NC(=O)C[S@](=O)Cc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] COc1ccc(C)cc1NC(=O)C[S@](=O)C[*:1]
Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](C2C(=O)C[C@@H](CC=2N1)[*:1])c1ccccc1
Cc1ncsc1CN1CCC[C@H](Nc2ncnc3c2CCC3)C1 Cc1ncsc1C[*:1] c1nc2CCCc2c(n1)N[C@H]1CCCN(C1)[*:1]
Cc1ncsc1CN1CCC[C@H](Nc2ncnc3c2CCC3)C1 Cc1ncsc1[*:1] c1nc2CCCc2c(n1)N[C@H]1CCCN(C1)C[*:1]
COCCCn1ncc(Cl)c(Cl)c1=O COCC[*:1] O=c1c(Cl)c(Cl)cnn1C[*:1]
COCCCn1ncc(Cl)c(Cl)c1=O COC[*:1] O=c1c(Cl)c(Cl)cnn1CC[*:1]
CCCc1cc(NC(=O)NCc2cccc(NC(=O)N(C)C)c2)n(C)n1 CN(C)C(=O)N[*:1] CCCc1cc(NC(=O)NCc2cccc(c2)[*:1])n(C)n1
CCCc1cc(NC(=O)NCc2cccc(NC(=O)N(C)C)c2)n(C)n1 CCC[*:1] CN(C)C(=O)Nc1cccc(c1)CNC(=O)Nc1cc(nn1C)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)N(C)[C@@H](C)C[*:1]
C[C@H]1CCCC[C@H]1NC(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] C[C@H]1CCCC[C@H]1NC(=O)N(C)[C@@H](C)[*:1]
C[C@@H](C(=O)N1CC[C@H](C(N)=O)c2ccccc21)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](C(=O)N1CC[C@H](C(N)=O)c2ccccc21)[*:1]
C[C@@H](C(=O)N1CC[C@H](C(N)=O)c2ccccc21)c1cccc(F)c1 NC(=O)[*:1] C[C@@H](C(=O)N1CC[C@H](c2ccccc21)[*:1])c1cccc(F)c1
O=C(Cc1ccc(Br)cc1)N[C@@H](CO)c1ccccc1F Fc1ccccc1[*:1] O=C(Cc1ccc(Br)cc1)N[C@@H](CO)[*:1]
O=C(Cc1ccc(Br)cc1)N[C@@H](CO)c1ccccc1F Brc1ccc(cc1)[*:1] O=C(C[*:1])N[C@@H](CO)c1ccccc1F
CCn1cnc(S(=O)(=O)N2CCC[C@H]2CCCCl)c1 ClCC[*:1] CCn1cnc(c1)S(=O)(=O)N1CCC[C@H]1C[*:1]
CCn1cnc(S(=O)(=O)N2CCC[C@H]2CCCCl)c1 ClCCC[*:1] CCn1cnc(c1)S(=O)(=O)N1CCC[C@@H]1[*:1]
CCOCCCC(=O)Nc1cccc2c1CC[NH2+]C2 CCO[*:1] O=C(CCC[*:1])Nc1cccc2C[NH2+]CCc21
CCOCCCC(=O)Nc1cccc2c1CC[NH2+]C2 CCOCC[*:1] O=C(C[*:1])Nc1cccc2C[NH2+]CCc21
CCOCCCC(=O)Nc1cccc2c1CC[NH2+]C2 CCOC[*:1] O=C(CC[*:1])Nc1cccc2C[NH2+]CCc21
CCOCCCC(=O)Nc1cccc2c1CC[NH2+]C2 CCOCCC[*:1] O=C(Nc1cccc2C[NH2+]CCc21)[*:1]
Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1 Cc1ccc(c(Br)c1)[*:1] Cc1ccc(/C=C/C(=O)NNC(=O)CO[*:1])cc1
Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(OCC(=O)NNC(=O)C=C[*:1])c(Br)c1
NC(=O)CONC(=O)c1ccn(-c2c(F)cccc2F)n1 NC(=O)C[*:1] O=C(NO[*:1])c1ccn(n1)-c1c(F)cccc1F
NC(=O)CONC(=O)c1ccn(-c2c(F)cccc2F)n1 NC(=O)[*:1] O=C(NOC[*:1])c1ccn(n1)-c1c(F)cccc1F
O=C(Nc1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CC=CCC1 FC(F)(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N[C@H]1CC=CCC1
O=C(Nc1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CC=CCC1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])C(=O)N[C@H]1CC=CCC1
COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@@H]1C[C@H](n2nc(cc2N1)C(=O)Nc1ccc(Cl)cc1)[*:1]
COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](n2nc(cc2N1)[*:1])C(F)(F)F
COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](n2nc(cc2N1)C(=O)N[*:1])C(F)(F)F
CC(C)=CC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)=CC(=O)N1CCCN(CC1)C(=O)[*:1]
CC(C)=CC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 CC(C)=C[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)[*:1]
CC(=O)Oc1ccccc1N1C(=S)NC(C)(C)C=C1C CC(=O)O[*:1] CC1=CC(C)(C)NC(=S)N1c1ccccc1[*:1]
N#CCCN(Cc1cccnc1)C(=O)[C@H]1COc2ccccc2O1 c1cncc(c1)C[*:1] N#CCCN(C(=O)[C@H]1COc2ccccc2O1)[*:1]
N#CCCN(Cc1cccnc1)C(=O)[C@H]1COc2ccccc2O1 c1cncc(c1)[*:1] N#CCCN(C[*:1])C(=O)[C@H]1COc2ccccc2O1
N#CCCN(Cc1cccnc1)C(=O)[C@H]1COc2ccccc2O1 N#CCC[*:1] O=C([C@H]1COc2ccccc2O1)N(Cc1cccnc1)[*:1]
N#CCCN(Cc1cccnc1)C(=O)[C@H]1COc2ccccc2O1 N#CC[*:1] O=C([C@H]1COc2ccccc2O1)N(Cc1cccnc1)C[*:1]
Cc1noc(C)c1CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C Cc1noc(C)c1[*:1] CC(C)[C@@H](NC(=O)C[*:1])c1nc2ccccc2[nH]1
Cc1noc(C)c1CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C CC(C)[*:1] Cc1noc(C)c1CC(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
Cc1noc(C)c1CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C Cc1noc(C)c1C[*:1] CC(C)[C@@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
COc1ccc(CN(C(=O)Cc2csc(C)n2)[C@H](C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)Cc1csc(C)n1)[C@H](C)[*:1]
COc1ccc(CN(C(=O)Cc2csc(C)n2)[C@H](C)C2CC2)cc1 Cc1nc(cs1)C[*:1] COc1ccc(cc1)CN(C(=O)[*:1])[C@H](C)C1CC1
COc1ccc(CN(C(=O)Cc2csc(C)n2)[C@H](C)C2CC2)cc1 COc1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)N(C[*:1])[C@H](C)C1CC1
COc1ccc(CN(C(=O)Cc2csc(C)n2)[C@H](C)C2CC2)cc1 Cc1nc(cs1)[*:1] COc1ccc(cc1)CN(C(=O)C[*:1])[C@H](C)C1CC1
CCn1nc(C)c2nc(C)nc(Nc3cccc(C(=O)NC)c3)c21 CNC(=O)[*:1] CCn1nc(C)c2nc(C)nc(Nc3cccc(c3)[*:1])c21
CC(C)Oc1ccc([C@@H](O)[C@@H]2CCc3cccnc32)cc1 CC(C)[*:1] O[C@H](c1ccc(cc1)O[*:1])[C@@H]1CCc2cccnc21
CC(C)Oc1ccc([C@@H](O)[C@@H]2CCc3cccnc32)cc1 CC(C)O[*:1] O[C@H](c1ccc(cc1)[*:1])[C@@H]1CCc2cccnc21
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCCCCC1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(c(c1)[*:1])N1CCCCCC1)N1CCCCCC1
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCCCCC1 C1CCCN(CC1)[*:1] O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)N1CCCCCC1
Cc1cc([C@](C)(O)CNC(=O)CNC(=O)c2cccs2)c(C)o1 c1csc(c1)[*:1] Cc1cc(c(C)o1)[C@](C)(O)CNC(=O)CNC(=O)[*:1]
Cc1cc([C@](C)(O)CNC(=O)CNC(=O)c2cccs2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@](O)(CNC(=O)CNC(=O)c1cccs1)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)c1ccc(NC=O)cc1 O=CN[*:1] CCC[C@@H]1C[C@H]1NC(=O)c1ccc(cc1)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)c1ccc(NC=O)cc1 CCC[*:1] O=CNc1ccc(cc1)C(=O)N[C@@H]1C[C@H]1[*:1]
Cc1ccsc1CNC(=O)COc1ccccn1 c1ccc(nc1)[*:1] Cc1ccsc1CNC(=O)CO[*:1]
Cc1ccsc1CNC(=O)COc1ccccn1 Cc1ccsc1[*:1] O=C(COc1ccccn1)NC[*:1]
CCn1nc(C)cc1C(=O)N1CCC[C@@H]1[C@H]1CCCC1=O O=C1CCC[C@@H]1[*:1] CCn1nc(C)cc1C(=O)N1CCC[C@H]1[*:1]
COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C COC(=O)[*:1] CN(C)[C@H](c1cc(Cl)cc(Cl)c1)[*:1]
COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C CN(C)[*:1] COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)[*:1]
CCN(CCc1nccs1)Cc1cc(O)ccc1Br c1csc(n1)[*:1] CCN(CC[*:1])Cc1cc(O)ccc1Br
CCN(CCc1nccs1)Cc1cc(O)ccc1Br c1csc(C[*:1])n1 CCN(Cc1cc(O)ccc1Br)C[*:1]
Cc1cccc(N2CC[NH+](CC[C@H](C)NS(=O)(=O)c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)N1CC[NH+](CC[C@H](C)NS(=O)(=O)[*:1])CC1
Cc1cccc(N2CC[NH+](CC[C@H](C)NS(=O)(=O)c3ccc(F)cc3)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H](CC[NH+]1CCN(CC1)[*:1])NS(=O)(=O)c1ccc(F)cc1
CC(=O)N[C@H]1CCC(=O)C=C1c1ccccc1 CC(=O)N[*:1] O=C1C=C(c2ccccc2)[C@H](CC1)[*:1]
Cc1ccc(NC2(C(=O)N[C@H](C)c3ncn[nH]3)CCCC2)cc1 c1n[nH]c(n1)[*:1] Cc1ccc(cc1)NC1(CCCC1)C(=O)N[C@H](C)[*:1]
Cc1ccc(NC2(C(=O)N[C@H](C)c3ncn[nH]3)CCCC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)C1(CCCC1)N[*:1])c1ncn[nH]1
O=S(=O)(NCC1CCCC1)c1cnn(-c2ccccn2)c1 c1ccc(nc1)[*:1] O=S(=O)(NCC1CCCC1)c1cnn(c1)[*:1]
O=S(=O)(NCC1CCCC1)c1cnn(-c2ccccn2)c1 C1CCC(C1)C[*:1] O=S(=O)(N[*:1])c1cnn(c1)-c1ccccn1
O=S(=O)(NCC1CCCC1)c1cnn(-c2ccccn2)c1 C1CCC(C1)[*:1] O=S(=O)(NC[*:1])c1cnn(c1)-c1ccccn1
CCC[C@H]([NH3+])c1ccc(F)cc1 CCC[*:1] [NH3+][C@H](c1ccc(F)cc1)[*:1]
CCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 CCCC[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
CCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 CCC[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)CC[*:1]
CCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 CCCCCC(=O)N[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
CCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 CCCCC[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc2nc(N3CC(C(=O)NCc4nc(C)no4)C3)sc2c1 Cc1noc(C[*:1])n1 COc1ccc2nc(sc2c1)N1CC(C1)C(=O)N[*:1]
COc1ccc2nc(N3CC(C(=O)NCc4nc(C)no4)C3)sc2c1 Cc1noc(n1)[*:1] COc1ccc2nc(sc2c1)N1CC(C1)C(=O)NC[*:1]
Cc1cc(C(=O)NC[C@H]2CC[C@@H](C(=O)[O-])O2)c(C)s1 O=C([O-])[*:1] Cc1cc(C(=O)NC[C@H]2CC[C@@H](O2)[*:1])c(C)s1
COc1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] COc1ccccc1O[C@H](C)C(=O)NNC(=O)[*:1]
COc1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccccc1Cl COc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)c1ccccc1Cl
Cc1nnc(COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)o1 Cc1nnc(C[*:1])o1 O=C(O[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
Cc1nnc(COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)o1 Cc1nnc(o1)[*:1] O=C(OC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
Cc1nnc(COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)o1 Clc1ccc(cc1)[*:1] Cc1nnc(COC(=O)C2CCN(CC2)S(=O)(=O)[*:1])o1
C[C@@H]1CCc2sc(NC(=O)C=CC(=O)[O-])c(C#N)c2C1 O=C([O-])C=C[*:1] C[C@@H]1CCc2sc(NC(=O)[*:1])c(C#N)c2C1
C[C@@H]1CCc2sc(NC(=O)C=CC(=O)[O-])c(C#N)c2C1 O=C([O-])[*:1] C[C@@H]1CCc2sc(NC(=O)C=C[*:1])c(C#N)c2C1
C[C@]1([C@@H](O)c2cccc(OC(F)(F)F)c2)CCCO1 FC(F)(F)[*:1] C[C@@]1(CCCO1)[C@@H](O)c1cccc(c1)O[*:1]
C[C@]1([C@@H](O)c2cccc(OC(F)(F)F)c2)CCCO1 FC(F)(F)O[*:1] C[C@@]1(CCCO1)[C@@H](O)c1cccc(c1)[*:1]
C=CCc1ccccc1OS(=O)(=O)c1ccccc1OC C=CC[*:1] COc1ccccc1S(=O)(=O)Oc1ccccc1[*:1]
O=C(Oc1ccc(-c2noc(C3CC3)n2)cc1)C1CC=CC1 C1CC1[*:1] O=C(Oc1ccc(cc1)-c1noc(n1)[*:1])C1CC=CC1
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H]1CN(CCN1CC(C)(C)[*:1])C(=O)OC(C)(C)C
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(C)(C)S(C)(=O)=O CC(C)(C)[*:1] C[C@@H]1CN(CCN1CC(C)(C)S(C)(=O)=O)C(=O)O[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(C)(C)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] C[C@@H]1CN(CCN1C[*:1])C(=O)OC(C)(C)C
COCCCN(C)C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] COCCCN(C)C(=O)N1CCC(CC1)[*:1]
COCCCN(C)C(=O)N1CCC(CC(=O)[O-])CC1 COCC[*:1] CN(C[*:1])C(=O)N1CCC(CC1)CC(=O)[O-]
COCCCN(C)C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] COCCCN(C)C(=O)N1CCC(CC1)C[*:1]
COCCCN(C)C(=O)N1CCC(CC(=O)[O-])CC1 COC[*:1] CN(CC[*:1])C(=O)N1CCC(CC1)CC(=O)[O-]
COCCCN(C)C(=O)N1CCC(CC(=O)[O-])CC1 COCCC[*:1] CN(C(=O)N1CCC(CC1)CC(=O)[O-])[*:1]
NC(=O)COc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 NC(=O)CO[*:1] O=C(Cc1cccc(c1)C(F)(F)F)Nc1ccc(cc1)[*:1]
NC(=O)COc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] NC(=O)COc1ccc(cc1)NC(=O)Cc1cccc(c1)[*:1]
NC(=O)COc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 NC(=O)C[*:1] O=C(Cc1cccc(c1)C(F)(F)F)Nc1ccc(cc1)O[*:1]
NC(=O)COc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 NC(=O)[*:1] O=C(Cc1cccc(c1)C(F)(F)F)Nc1ccc(cc1)OC[*:1]
O=C(NCc1nnc2n1CCC2)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 C1Cc2nnc(C[*:1])n2C1 O=C(N[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCCCC1
O=C(NCc1nnc2n1CCC2)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 C1Cc2nnc(n2C1)[*:1] O=C(NC[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCCCC1
O=C(NCc1nnc2n1CCC2)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 C1CCCN(CC1)[*:1] O=C(NCc1nnc2CCCn21)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(NCc1nnc2n1CCC2)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCc1nnc2CCCn21)c1ccc(c(c1)[*:1])N1CCCCCC1
Cc1c(C[NH2+]Cc2cc(-c3ccco3)n[nH]2)cnn1C c1coc(c1)[*:1] Cc1c(cnn1C)C[NH2+]Cc1cc(n[nH]1)[*:1]
CCc1cccc(C)c1NC(=O)c1nc2ccccc2nc1N1CCCCC1 C1CCN(CC1)[*:1] CCc1cccc(C)c1NC(=O)c1nc2ccccc2nc1[*:1]
CCc1cccc(C)c1NC(=O)c1nc2ccccc2nc1N1CCCCC1 CCc1cccc(C)c1[*:1] O=C(N[*:1])c1nc2ccccc2nc1N1CCCCC1
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)C=C1CCSCC1 COC(=O)[*:1] O=C(C=C1CCSCC1)N[C@@H]1CCCC[C@H]1[*:1]
C[C@H](CO)NC(=O)C(=O)Nc1cccc(OC2CCCC2)c1 C1CCC(C1)[*:1] C[C@H](CO)NC(=O)C(=O)Nc1cccc(c1)O[*:1]
C[C@H](CO)NC(=O)C(=O)Nc1cccc(OC2CCCC2)c1 C1CCC(C1)O[*:1] C[C@H](CO)NC(=O)C(=O)Nc1cccc(c1)[*:1]
O=C(/C=C\c1ccc(OC(=O)c2cccnc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Oc1ccc(/C=C\C(=O)[*:1])cc1)c1cccnc1
O=C(/C=C\c1ccc(OC(=O)c2cccnc2)cc1)c1ccccc1 c1cncc(c1)[*:1] O=C(/C=C\c1ccc(cc1)OC(=O)[*:1])c1ccccc1
O=C(/C=C\c1ccc(OC(=O)c2cccnc2)cc1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(Oc1ccc(C=C[*:1])cc1)c1cccnc1
Cc1cc(CSc2ccccc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)no1 Cc1cc(no1)[*:1] O=C(c1ccccc1SC[*:1])N1CCC[C@@H](C1)c1nc2ccccc2s1
Cc1cc(CSc2ccccc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)no1 Cc1cc(C[*:1])no1 O=C(c1ccccc1S[*:1])N1CCC[C@@H](C1)c1nc2ccccc2s1
Cc1cc(CSc2ccccc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)no1 c1ccc2sc(nc2c1)[*:1] Cc1cc(CSc2ccccc2C(=O)N2CCC[C@H](C2)[*:1])no1
Cc1cc(CSc2ccccc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)no1 Cc1cc(CS[*:1])no1 O=C(c1ccccc1[*:1])N1CCC[C@@H](C1)c1nc2ccccc2s1
COCC(=O)Oc1ccc(C(C)=O)cc1OC COC[*:1] COc1cc(ccc1OC(=O)[*:1])C(C)=O
COCC(=O)Oc1ccc(C(C)=O)cc1OC CC(=O)[*:1] COCC(=O)Oc1ccc(cc1OC)[*:1]
CCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC CCO[*:1] COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4C[C@@H](C)CCc4c3c2=O)ccc1[*:1]
CCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC CCOc1ccc(cc1OC)[*:1] C[C@H]1CCc2c(C1)sc1ncn(c(=O)c21)[C@H](C)C(=O)NN=C[*:1]
COc1cc(CNC(=O)c2c(C)nn(C)c2Cl)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])CNC(=O)c1c(C)nn(C)c1Cl
COc1cc(CNC(=O)c2c(C)nn(C)c2Cl)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])CNC(=O)c1c(C)nn(C)c1Cl
COc1cc(CNC(=O)c2c(C)nn(C)c2Cl)ccc1OCc1ccccc1 Cc1nn(C)c(Cl)c1[*:1] COc1cc(ccc1OCc1ccccc1)CNC(=O)[*:1]
COc1cc(CNC(=O)c2c(C)nn(C)c2Cl)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])CNC(=O)c1c(C)nn(C)c1Cl
C[C@@H](Oc1ccc(Br)cc1)c1nnc(SCC(=O)NC2CCCC2)n1C Brc1ccc(cc1)[*:1] C[C@@H](O[*:1])c1nnc(SCC(=O)NC2CCCC2)n1C
C[C@@H](Oc1ccc(Br)cc1)c1nnc(SCC(=O)NC2CCCC2)n1C C1CCC(C1)[*:1] C[C@@H](Oc1ccc(Br)cc1)c1nnc(SCC(=O)N[*:1])n1C
C[C@@H](Oc1ccc(Br)cc1)c1nnc(SCC(=O)NC2CCCC2)n1C Brc1ccc(cc1)O[*:1] C[C@@H](c1nnc(SCC(=O)NC2CCCC2)n1C)[*:1]
C[C@@H](Oc1ccc(Br)cc1)c1nnc(SCC(=O)NC2CCCC2)n1C O=C(NC1CCCC1)[*:1] C[C@@H](Oc1ccc(Br)cc1)c1nnc(SC[*:1])n1C
CC(=O)C1=C(C)C(C(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)c2ccccc2Cl)=N[C@H]1C Clc1ccccc1[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)NC[C@H](C1C[NH+]=c2ccccc2=1)[*:1]
CC(=O)C1=C(C)C(C(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)c2ccccc2Cl)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)NC[C@H](C1C[NH+]=c2ccccc2=1)c1ccccc1Cl
COc1ccc([C@@H](O)CN[C@H](C)c2cnc(C)s2)cc1OC Cc1ncc(s1)[*:1] COc1ccc(cc1OC)[C@@H](O)CN[C@H](C)[*:1]
C[C@@H]1CC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)C[C@@H](C)O1 C(=C[*:1])c1ccccc1 C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCN(CC1)C[*:1]
C[C@@H]1CC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCN(CC=C[*:1])CC1
CS(=O)(=O)c1ccc2nc(N(CC[NH+]3CCOCC3)C(=O)C3=COCCO3)sc2c1 CS(=O)(=O)[*:1] O=C(C1=COCCO1)N(CC[NH+]1CCOCC1)c1nc2ccc(cc2s1)[*:1]
O=C(NCCc1n[nH]c(-c2ccco2)n1)C(=O)Nc1cccc(F)c1 c1coc(c1)[*:1] O=C(NCCc1n[nH]c(n1)[*:1])C(=O)Nc1cccc(F)c1
O=C(NCCc1n[nH]c(-c2ccco2)n1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCc1n[nH]c(n1)-c1ccco1)C(=O)N[*:1]
COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(C)[C@H](C)[C@@H]2C)c1 COC(=O)[*:1] COC(=O)c1cc(cc(c1)[*:1])S(=O)(=O)N1CCN(C)[C@H](C)[C@@H]1C
Nc1ccc([C@@H](O)[C@@H](CO)NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] Nc1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)[*:1]
N#CCCN(Cc1ccco1)Cc1c(Cl)ccc2cccnc12 c1coc(c1)C[*:1] N#CCCN(Cc1c(Cl)ccc2cccnc12)[*:1]
N#CCCN(Cc1ccco1)Cc1c(Cl)ccc2cccnc12 N#CCC[*:1] Clc1ccc2cccnc2c1CN(Cc1ccco1)[*:1]
N#CCCN(Cc1ccco1)Cc1c(Cl)ccc2cccnc12 N#CC[*:1] Clc1ccc2cccnc2c1CN(Cc1ccco1)C[*:1]
N#CCCN(Cc1ccco1)Cc1c(Cl)ccc2cccnc12 c1coc(c1)[*:1] N#CCCN(Cc1c(Cl)ccc2cccnc12)C[*:1]
O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1Cc2ccccc2S1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CC(=O)N(C1)C[*:1])[C@@H]1Cc2ccccc2S1
O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1Cc2ccccc2S1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1CC(=O)N(C1)[*:1])[C@@H]1Cc2ccccc2S1
O=C(Oc1cccc(Cl)c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 Clc1cccc(c1)[*:1] O=C(O[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1
O=C(Oc1cccc(Cl)c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Oc1cccc(Cl)c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 CC(C)(C)[*:1] O=C(NCC#Cc1cccc(c1)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)NCC#Cc1cccc(c1)[*:1]
CC1=C(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)[C@H](C)N=N1 Clc1ccc(cc1)C[*:1] CC1N=N[C@@H](C)C=1CNC(=O)[C@@H]1CCC(=O)N(C1)[*:1]
CC1=C(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)[C@H](C)N=N1 Clc1ccc(cc1)[*:1] CC1N=N[C@@H](C)C=1CNC(=O)[C@@H]1CCC(=O)N(C1)C[*:1]
Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccc(cc1)[*:1]
Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N(C)C)cc1 Cc1ccccc1[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)N1CCC[C@H]1[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)[*:1] C[C@H](c1ccccc1)N(C)C(=O)c1ccc(cc1)CS[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc(CSc2ncn[nH]2)cc1 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1ccc(cc1)CSc1ncn[nH]1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc(CSc2ncn[nH]2)cc1 C[C@H](c1ccccc1)[*:1] CN(C(=O)c1ccc(cc1)CSc1ncn[nH]1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)SC[*:1] C[C@H](c1ccccc1)N(C)C(=O)c1ccc(cc1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)S[*:1] C[C@H](c1ccccc1)N(C)C(=O)c1ccc(cc1)C[*:1]
CC(C)C[C@@H](C(=O)N[C@H](C)Cc1cccs1)N1CCCCC1=O CC(C)[*:1] C[C@H](Cc1cccs1)NC(=O)[C@H](C[*:1])N1CCCCC1=O
CC(C)C[C@@H](C(=O)N[C@H](C)Cc1cccs1)N1CCCCC1=O c1csc(c1)[*:1] CC(C)C[C@@H](C(=O)N[C@H](C)C[*:1])N1CCCCC1=O
CC(C)C[C@@H](C(=O)N[C@H](C)Cc1cccs1)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@@H](C(=O)N[C@H](C)Cc1cccs1)[*:1]
CC(C)C[C@@H](C(=O)N[C@H](C)Cc1cccs1)N1CCCCC1=O c1csc(c1)C[*:1] CC(C)C[C@@H](C(=O)N[C@H](C)[*:1])N1CCCCC1=O
CC(C)C[C@@H](C(=O)N[C@H](C)Cc1cccs1)N1CCCCC1=O CC(C)C[*:1] C[C@H](Cc1cccs1)NC(=O)[C@@H](N1CCCCC1=O)[*:1]
C[NH+](Cc1nc(C(F)(F)F)cs1)Cc1c[nH]nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](Cc1nc(cs1)C(F)(F)F)Cc1c[nH]nc1[*:1]
C[NH+](Cc1nc(C(F)(F)F)cs1)Cc1c[nH]nc1-c1ccc(F)cc1 FC(F)(F)[*:1] C[NH+](Cc1nc(cs1)[*:1])Cc1c[nH]nc1-c1ccc(F)cc1
CCC([NH3+])(CC)C(=O)Nc1ccc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] CCC([NH3+])(CC)C(=O)Nc1ccc(nc1)[*:1]
COc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)COc1ccccc1C Cc1ccccc1[*:1] COc1cc(ccc1NC(=O)CO[*:1])N1CCn2c(C1)nc1ccccc12
COc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)COc1ccccc1C Cc1ccccc1OC[*:1] COc1cc(ccc1NC(=O)[*:1])N1CCn2c(C1)nc1ccccc12
COc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)COc1ccccc1C Cc1ccccc1O[*:1] COc1cc(ccc1NC(=O)C[*:1])N1CCn2c(C1)nc1ccccc12
CC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O)[*:1]
O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(CC1)[*:1]
CCOC(=O)[C@@H](c1cccc(C)c1)c1n[nH]c(C(C)C)n1 CCOC(=O)[*:1] Cc1cccc(c1)[C@@H](c1n[nH]c(n1)C(C)C)[*:1]
CCOC(=O)[C@@H](c1cccc(C)c1)c1n[nH]c(C(C)C)n1 CC(C)[*:1] CCOC(=O)[C@@H](c1cccc(C)c1)c1n[nH]c(n1)[*:1]
CCOC(=O)[C@@H](c1cccc(C)c1)c1n[nH]c(C(C)C)n1 Cc1cccc(c1)[*:1] CCOC(=O)[C@@H](c1n[nH]c(n1)C(C)C)[*:1]
Fc1ccccc1-c1nc2ncccn2c1NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Fc1ccccc1-c1nc2ncccn2c1N[*:1]
Fc1ccccc1-c1nc2ncccn2c1NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Fc1ccccc1-c1nc2ncccn2c1NC[*:1]
Fc1ccccc1-c1nc2ncccn2c1NCc1ccc(Cl)cc1 Fc1ccccc1[*:1] Clc1ccc(cc1)CNc1c(nc2ncccn12)[*:1]
Cc1ccc(C)c([C@H](C)NS(C)(=O)=O)c1 CS(=O)(=O)N[*:1] Cc1ccc(C)c(c1)[C@H](C)[*:1]
CN(CC(=O)NCC(C)(C)N1CCS(=O)CC1)C(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)NCC(C)(C)N1CCS(=O)CC1)C(=O)[*:1]
CC[C@H](CCO)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 OCC[*:1] CC[C@H](NC(=O)Nc1cccc(c1)Oc1ccc(C#N)cc1)[*:1]
CC[C@H](CCO)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)[*:1] CC[C@H](CCO)NC(=O)Nc1cccc(c1)O[*:1]
CCOC(=O)[C@H]1CCCN(c2ncnc(Nc3cccc(C)n3)c2N)C1 Cc1cccc(n1)[*:1] CCOC(=O)[C@H]1CCCN(C1)c1ncnc(N[*:1])c1N
CCOC(=O)[C@H]1CCCN(c2ncnc(Nc3cccc(C)n3)c2N)C1 Cc1cccc(n1)N[*:1] CCOC(=O)[C@H]1CCCN(C1)c1ncnc(c1N)[*:1]
CCOC(=O)[C@H]1CCCN(c2ncnc(Nc3cccc(C)n3)c2N)C1 CCOC(=O)[*:1] Cc1cccc(n1)Nc1ncnc(c1N)N1CCC[C@@H](C1)[*:1]
COC(=O)c1ccsc1N1CC[C@@H](Nc2ncccn2)C1=O c1cnc(nc1)N[*:1] COC(=O)c1ccsc1N1CC[C@@H](C1=O)[*:1]
COC(=O)c1ccsc1N1CC[C@@H](Nc2ncccn2)C1=O c1cnc(nc1)[*:1] COC(=O)c1ccsc1N1CC[C@@H](N[*:1])C1=O
COC(=O)c1ccsc1N1CC[C@@H](Nc2ncccn2)C1=O COC(=O)[*:1] O=C1[C@@H](CCN1c1sccc1[*:1])Nc1ncccn1
O=C(CC1(O)CCCCC1)NCCCCn1ccccc1=O O=c1ccccn1[*:1] O=C(CC1(O)CCCCC1)NCCCC[*:1]
O=C(CC1(O)CCCCC1)NCCCCn1ccccc1=O OC1(CCCCC1)[*:1] O=C(C[*:1])NCCCCn1ccccc1=O
O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccn(S(=O)(=O)c2ccccc2)c1 Clc1cccc(c1Cl)[*:1] O=S(=O)(N[*:1])c1ccn(c1)S(=O)(=O)c1ccccc1
O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccn(S(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccn(c1)S(=O)(=O)[*:1]
Cc1ccc(C)c(-n2ccnc2[S@](=O)[C@H](C)C(=O)N(C)C(C)C)c1 CC(C)N(C)C(=O)[*:1] Cc1ccc(C)c(c1)-n1ccnc1[S@](=O)[C@H](C)[*:1]
Cc1ccc(C)c(-n2ccnc2[S@](=O)[C@H](C)C(=O)N(C)C(C)C)c1 Cc1ccc(C)c(c1)[*:1] CC(C)N(C)C(=O)[C@@H](C)[S@@](=O)c1nccn1[*:1]
Cc1ccc(C)c(-n2ccnc2[S@](=O)[C@H](C)C(=O)N(C)C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)-n1ccnc1[S@](=O)[C@H](C)C(=O)N(C)[*:1]
CS(=O)(=O)[N-]c1ccccc1CNc1nc(-c2ccncc2)nc2c1CCC2 c1cc(ccn1)[*:1] CS(=O)(=O)[N-]c1ccccc1CNc1nc(nc2CCCc21)[*:1]
C[C@@H]1CC[C@@H]([NH+]2CCN(C3CCCCC3)CC2)C1 C1CCC(CC1)[*:1] C[C@@H]1CC[C@H](C1)[NH+]1CCN(CC1)[*:1]
Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 Cc1cc(Cl)ccc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)Cc1ccccc1
Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1NC(=O)C1CCN(CC1)C(=O)C[*:1]
Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1cc(Cl)ccc1NC(=O)C1CCN(CC1)C(=O)[*:1]
N#Cc1c(NC(=O)C(F)(F)F)cn2ccccc12 FC(F)(F)[*:1] N#Cc1c(cn2ccccc12)NC(=O)[*:1]
O=C(c1ccc(-c2ccccc2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1F
O=C(c1ccc(-c2ccccc2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=CN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CCOc2ccccc2F)CC1 Fc1ccccc1OCC[*:1] O=CN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2[*:1]
O=CN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CCOc2ccccc2F)CC1 Fc1ccccc1OC[*:1] O=CN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[*:1]
O=CN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CCOc2ccccc2F)CC1 Fc1ccccc1O[*:1] O=CN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC[*:1]
O=CN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CCOc2ccccc2F)CC1 Fc1ccccc1[*:1] O=CN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CCO[*:1]
Cc1onc(-c2ccccc2Cl)c1-c1nc(CC2CC[NH+](C)CC2)no1 Clc1ccccc1[*:1] Cc1onc(c1-c1nc(CC2CC[NH+](C)CC2)no1)[*:1]
CC(C)=CC(=O)NCc1nc(C)c(C)s1 CC(C)=C[*:1] Cc1nc(CNC(=O)[*:1])sc1C
Cc1nn(CC(=O)NCc2cccnc2)c(=O)c2c(-n3cccc3)n(-c3ccc(Cl)cc3)nc12 O=C(C[*:1])NCc1cccnc1 Cc1nn(c(=O)c2c(-n3cccc3)n(nc12)-c1ccc(Cl)cc1)[*:1]
Cc1nn(CC(=O)NCc2cccnc2)c(=O)c2c(-n3cccc3)n(-c3ccc(Cl)cc3)nc12 c1ccn(c1)[*:1] Cc1nn(CC(=O)NCc2cccnc2)c(=O)c2c(n(nc12)-c1ccc(Cl)cc1)[*:1]
Cc1nn(CC(=O)NCc2cccnc2)c(=O)c2c(-n3cccc3)n(-c3ccc(Cl)cc3)nc12 c1cncc(c1)[*:1] Cc1nn(CC(=O)NC[*:1])c(=O)c2c(-n3cccc3)n(nc12)-c1ccc(Cl)cc1
Cc1nn(CC(=O)NCc2cccnc2)c(=O)c2c(-n3cccc3)n(-c3ccc(Cl)cc3)nc12 Clc1ccc(cc1)[*:1] Cc1nn(CC(=O)NCc2cccnc2)c(=O)c2c(-n3cccc3)n(nc12)[*:1]
Cc1nn(CC(=O)NCc2cccnc2)c(=O)c2c(-n3cccc3)n(-c3ccc(Cl)cc3)nc12 c1cncc(c1)C[*:1] Cc1nn(CC(=O)N[*:1])c(=O)c2c(-n3cccc3)n(nc12)-c1ccc(Cl)cc1
Cc1nn(CC(=O)NCc2cccnc2)c(=O)c2c(-n3cccc3)n(-c3ccc(Cl)cc3)nc12 O=C(NCc1cccnc1)[*:1] Cc1nn(C[*:1])c(=O)c2c(-n3cccc3)n(nc12)-c1ccc(Cl)cc1
CCSc1nnc(-c2ccccc2NC(=O)[C@H]2CC[NH2+]C2)c([O-])n1 CCS[*:1] O=C(Nc1ccccc1-c1nnc(nc1[O-])[*:1])[C@H]1CC[NH2+]C1
CCC[C@H](C)C(=O)Nc1cccc(Cn2cccn2)c1 CCC[C@H](C)[*:1] O=C(Nc1cccc(c1)Cn1cccn1)[*:1]
CCC[C@H](C)C(=O)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] CCC[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CCC[C@H](C)C(=O)Nc1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] CCC[C@H](C)C(=O)Nc1cccc(c1)C[*:1]
CCC[C@H](C)C(=O)Nc1cccc(Cn2cccn2)c1 CCC[*:1] C[C@H](C(=O)Nc1cccc(c1)Cn1cccn1)[*:1]
CN(Cc1cccnc1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 Fc1ccc(cc1)[*:1] CN(Cc1cccnc1)c1ccc(cn1)-c1nc(C[*:1])no1
CN(Cc1cccnc1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 CN(Cc1cccnc1)[*:1] Fc1ccc(cc1)Cc1noc(n1)-c1ccc(nc1)[*:1]
CN(Cc1cccnc1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 Fc1ccc(cc1)C[*:1] CN(Cc1cccnc1)c1ccc(cn1)-c1nc(no1)[*:1]
CN(Cc1cccnc1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 c1cncc(c1)[*:1] CN(C[*:1])c1ccc(cn1)-c1nc(Cc2ccc(F)cc2)no1
CN(Cc1cccnc1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 c1cncc(c1)C[*:1] CN(c1ccc(cn1)-c1nc(Cc2ccc(F)cc2)no1)[*:1]
CCC[C@@H]([NH3+])CC[C@H]1CCOC2(CCCCC2)C1 CCC[*:1] [NH3+][C@@H](CC[C@H]1CCOC2(CCCCC2)C1)[*:1]
C#CCN1C(=O)[C@](O)([C@@H](C)C(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21 Clc1ccc(cc1)[*:1] C#CCN1C(=O)[C@@](O)(c2cc(Br)ccc21)[C@@H](C)C(=O)[*:1]
C#CCN1C(=O)[C@](O)([C@@H](C)C(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21 C#CC[*:1] C[C@@H](C(=O)c1ccc(Cl)cc1)[C@@]1(O)C(=O)N(c2ccc(Br)cc21)[*:1]
N#Cc1ccc(Cl)c(NC(=O)NC[C@H](O)CN2CCOCC2)c1 C1CN(CCO1)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NC[C@H](O)C[*:1]
N#Cc1ccc(Cl)c(NC(=O)NC[C@H](O)CN2CCOCC2)c1 C1CN(CCO1)C[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NC[C@H](O)[*:1]
CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2C[C@H]2C)n1 CC(C)[*:1] C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1nn(cc1C#N)[*:1]
COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)c1 COc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
COc1cccc(Sc2ccc(N3CCC[C@H](C(=O)NCc4cccs4)C3)nn2)c1 c1csc(c1)C[*:1] COc1cccc(c1)Sc1ccc(nn1)N1CCC[C@@H](C1)C(=O)N[*:1]
COc1cccc(Sc2ccc(N3CCC[C@H](C(=O)NCc4cccs4)C3)nn2)c1 c1csc(c1)[*:1] COc1cccc(c1)Sc1ccc(nn1)N1CCC[C@@H](C1)C(=O)NC[*:1]
COc1cccc(Sc2ccc(N3CCC[C@H](C(=O)NCc4cccs4)C3)nn2)c1 COc1cccc(c1)[*:1] O=C(NCc1cccs1)[C@H]1CCCN(C1)c1ccc(nn1)S[*:1]
COc1cccc(Sc2ccc(N3CCC[C@H](C(=O)NCc4cccs4)C3)nn2)c1 O=C(NCc1cccs1)[*:1] COc1cccc(c1)Sc1ccc(nn1)N1CCC[C@H](C1)[*:1]
COc1cccc(Sc2ccc(N3CCC[C@H](C(=O)NCc4cccs4)C3)nn2)c1 COc1cccc(c1)S[*:1] O=C(NCc1cccs1)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
O=S(=O)(NCc1cccc(OCC(F)(F)F)c1)N1CCOCC1 FC(F)(F)CO[*:1] O=S(=O)(NCc1cccc(c1)[*:1])N1CCOCC1
O=S(=O)(NCc1cccc(OCC(F)(F)F)c1)N1CCOCC1 FC(F)(F)C[*:1] O=S(=O)(NCc1cccc(c1)O[*:1])N1CCOCC1
O=S(=O)(NCc1cccc(OCC(F)(F)F)c1)N1CCOCC1 FC(F)(F)[*:1] O=S(=O)(NCc1cccc(c1)OC[*:1])N1CCOCC1
CCOc1ccc(NC(=O)N2CCCC2)cc1Cl CCO[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])N1CCCC1
O=C(C[NH+]1CCOc2ccccc2C1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(C[NH+]1CCOc2ccccc2C1)N[*:1]
CN(CCOCC1CC1)C(=O)C(C)(C)CCl C1CC1CO[*:1] CN(CC[*:1])C(=O)C(C)(C)CCl
CN(CCOCC1CC1)C(=O)C(C)(C)CCl C1CC1C[*:1] CN(CCO[*:1])C(=O)C(C)(C)CCl
CN(CCOCC1CC1)C(=O)C(C)(C)CCl C1CC1[*:1] CN(CCOC[*:1])C(=O)C(C)(C)CCl
CN(CCOCC1CC1)C(=O)C(C)(C)CCl CC(C)(CCl)[*:1] CN(CCOCC1CC1)C(=O)[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)NCc2ccc(OC(C)C)cc2)o1 CC(C)[*:1] CCc1ccc(o1)[C@@H]1COCCN1C(=O)NCc1ccc(cc1)O[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)NCc2ccc(OC(C)C)cc2)o1 CCc1ccc(o1)[*:1] CC(C)Oc1ccc(cc1)CNC(=O)N1CCOC[C@H]1[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)NCc2ccc(OC(C)C)cc2)o1 CC(C)O[*:1] CCc1ccc(o1)[C@@H]1COCCN1C(=O)NCc1ccc(cc1)[*:1]
CCCN(CCC)C(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 CCC[*:1] CCCN(C(=O)c1ccc(cc1)NC(=O)[C@@H]1CCCO1)[*:1]
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](C)c3ccccc3)c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1cccc(c1)S(=O)(=O)N[*:1])c1ccccc1
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](C)c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H](C)[*:1]
C=C(C)Cc1c(C)nc(-c2ccc(Cl)cc2)[nH]c1=O C=C(C)[*:1] Cc1nc([nH]c(=O)c1C[*:1])-c1ccc(Cl)cc1
C=C(C)Cc1c(C)nc(-c2ccc(Cl)cc2)[nH]c1=O C=C(C)C[*:1] Cc1nc([nH]c(=O)c1[*:1])-c1ccc(Cl)cc1
COC(=O)c1cccc(NC(=O)c2ncccc2OC(C)C)c1C CC(C)O[*:1] COC(=O)c1cccc(NC(=O)c2ncccc2[*:1])c1C
COC(=O)c1cccc(NC(=O)c2ncccc2OC(C)C)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)c1ncccc1OC(C)C
COC(=O)c1cccc(NC(=O)c2ncccc2OC(C)C)c1C CC(C)[*:1] COC(=O)c1cccc(NC(=O)c2ncccc2O[*:1])c1C
CCCCCC[C@@H](C)NC(=O)c1nc2nccc(C)n2n1 CCC[*:1] Cc1ccnc2nc(nn12)C(=O)N[C@H](C)CCC[*:1]
CCCCCC[C@@H](C)NC(=O)c1nc2nccc(C)n2n1 CCCCC[*:1] Cc1ccnc2nc(nn12)C(=O)N[C@H](C)C[*:1]
CCCCCC[C@@H](C)NC(=O)c1nc2nccc(C)n2n1 CCCC[*:1] Cc1ccnc2nc(nn12)C(=O)N[C@H](C)CC[*:1]
CCCCCC[C@@H](C)NC(=O)c1nc2nccc(C)n2n1 CCCCCC[*:1] Cc1ccnc2nc(nn12)C(=O)N[C@H](C)[*:1]
CCc1cn[nH]c1[C@@H]1CCCN(Cc2c(OC)cccc2OC)C1 CCc1cn[nH]c1[*:1] COc1cccc(OC)c1CN1CCC[C@H](C1)[*:1]
COc1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)[C@H]1C[NH2+]C[C@H]1[*:1]
O=C(CCc1cnn(-c2ccccc2)c1)Oc1ccc2ccc(=O)oc2c1 c1ccc(cc1)[*:1] O=C(CCc1cnn(c1)[*:1])Oc1ccc2ccc(=O)oc2c1
O=C(NCC[C@H]1CCCO1)c1ccc(Cl)cc1F C1CO[C@H](C1)C[*:1] O=C(NC[*:1])c1ccc(Cl)cc1F
O=C(NCC[C@H]1CCCO1)c1ccc(Cl)cc1F C1CO[C@H](C1)[*:1] O=C(NCC[*:1])c1ccc(Cl)cc1F
COc1ccccc1CNc1ncc(-c2ccc(Cl)cc2)c(-c2[nH+]ccn2C)n1 COc1ccccc1[*:1] Cn1cc[nH+]c1-c1nc(ncc1-c1ccc(Cl)cc1)NC[*:1]
COc1ccccc1CNc1ncc(-c2ccc(Cl)cc2)c(-c2[nH+]ccn2C)n1 COc1ccccc1C[*:1] Cn1cc[nH+]c1-c1nc(ncc1-c1ccc(Cl)cc1)N[*:1]
COc1ccccc1CNc1ncc(-c2ccc(Cl)cc2)c(-c2[nH+]ccn2C)n1 Clc1ccc(cc1)[*:1] COc1ccccc1CNc1ncc(c(n1)-c1[nH+]ccn1C)[*:1]
C[C@H]1CCCC[C@H]1[NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1 O=C(N1CCOCC1)[*:1] C[C@H]1CCCC[C@H]1[NH2+]C[C@H](c1ccccc1)[*:1]
C[C@H]1CCCC[C@H]1[NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@H]1[NH2+]C[C@H](C(=O)N1CCOCC1)[*:1]
C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cccs1 c1coc(c1)C[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(C1)[*:1])c1cccs1
C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cccs1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(C1)C[*:1])c1cccs1
C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[*:1]
Cc1cc2cc(C(F)(F)F)nc-2n(CC2(O)CCN(C(=O)CCc3ccccc3)CC2)c1 FC(F)(F)[*:1] Cc1cc2cc(nc-2n(c1)CC1(O)CCN(CC1)C(=O)CCc1ccccc1)[*:1]
Cc1cc2cc(C(F)(F)F)nc-2n(CC2(O)CCN(C(=O)CCc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] Cc1cc2cc(nc-2n(c1)CC1(O)CCN(CC1)C(=O)C[*:1])C(F)(F)F
Cc1cc2cc(C(F)(F)F)nc-2n(CC2(O)CCN(C(=O)CCc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cc2cc(nc-2n(c1)CC1(O)CCN(CC1)C(=O)CC[*:1])C(F)(F)F
Cc1cc2cc(C(F)(F)F)nc-2n(CC2(O)CCN(C(=O)CCc3ccccc3)CC2)c1 c1ccc(cc1)CC[*:1] Cc1cc2cc(nc-2n(c1)CC1(O)CCN(CC1)C(=O)[*:1])C(F)(F)F
C#Cc1cc(F)c(NC(=O)N[C@H](C)CC2CC2)c(F)c1 C[C@H](CC1CC1)[*:1] C#Cc1cc(F)c(NC(=O)N[*:1])c(F)c1
C#Cc1cc(F)c(NC(=O)N[C@H](C)CC2CC2)c(F)c1 C1CC1[*:1] C#Cc1cc(F)c(NC(=O)N[C@H](C)C[*:1])c(F)c1
C#Cc1cc(F)c(NC(=O)N[C@H](C)CC2CC2)c(F)c1 C1CC1C[*:1] C#Cc1cc(F)c(NC(=O)N[C@H](C)[*:1])c(F)c1
C[C@@H](CNC(=O)[C@H]1COc2ccccc2O1)Oc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](CNC(=O)[C@H]1COc2ccccc2O1)O[*:1]
C[C@@H](CNC(=O)[C@H]1COc2ccccc2O1)Oc1ccccc1Cl Clc1ccccc1O[*:1] C[C@@H](CNC(=O)[C@H]1COc2ccccc2O1)[*:1]
COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nc3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])Nc1ccc(F)cc1F
COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nc3ccccc3c2=O)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
Cc1nc(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)sc1C Cc1nc(sc1C)[*:1] O=C(NC[*:1])[C@@H]1C[C@H]1c1c(F)cccc1F
O=C(CSc1nc2c(oc3ccccc32)c(=O)n1-c1ccccc1)Nc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(CSc1nc2c(oc3ccccc32)c(=O)n1[*:1])Nc1cccc(F)c1
O=C(CSc1nc2c(oc3ccccc32)c(=O)n1-c1ccccc1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CSc1nc2c(oc3ccccc32)c(=O)n1-c1ccccc1)N[*:1]
O=C(CSc1nc2c(oc3ccccc32)c(=O)n1-c1ccccc1)Nc1cccc(F)c1 O=C(Nc1cccc(F)c1)[*:1] O=c1c2oc3ccccc3c2nc(SC[*:1])n1-c1ccccc1
Cn1c([C@H]2CCCN2C(=O)CCc2ccco2)nc2ccccc21 c1coc(c1)[*:1] Cn1c(nc2ccccc21)[C@H]1CCCN1C(=O)CC[*:1]
Cn1c([C@H]2CCCN2C(=O)CCc2ccco2)nc2ccccc21 c1coc(c1)C[*:1] Cn1c(nc2ccccc21)[C@H]1CCCN1C(=O)C[*:1]
Cn1c([C@H]2CCCN2C(=O)CCc2ccco2)nc2ccccc21 c1coc(c1)CC[*:1] Cn1c(nc2ccccc21)[C@H]1CCCN1C(=O)[*:1]
CCCSc1nc(NN2C(=O)CCC2=O)c2c3c(sc2n1)CC[C@H](C)C3 CCC[*:1] C[C@H]1CCc2sc3nc(nc(NN4C(=O)CCC4=O)c3c2C1)S[*:1]
CCCSc1nc(NN2C(=O)CCC2=O)c2c3c(sc2n1)CC[C@H](C)C3 O=C1CCC(=O)N1N[*:1] CCCSc1nc(c2c3C[C@@H](C)CCc3sc2n1)[*:1]
CCCSc1nc(NN2C(=O)CCC2=O)c2c3c(sc2n1)CC[C@H](C)C3 CCCS[*:1] C[C@H]1CCc2sc3nc(nc(NN4C(=O)CCC4=O)c3c2C1)[*:1]
Cc1noc2c1[C@@H](c1ccco1)C(C#N)=C(N)O2 c1coc(c1)[*:1] Cc1noc2OC(N)=C(C#N)[C@H](c12)[*:1]
CC(=O)Nc1cccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)c1 O=C([O-])[*:1] CC(=O)Nc1cccc(c1)NC(=O)N[C@H](C(C)C)[*:1]
CC(=O)Nc1cccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)NC(=O)N[C@H](C(=O)[O-])[*:1]
CC(=O)Nc1cccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)c1 CC(=O)N[*:1] CC(C)[C@H](NC(=O)Nc1cccc(c1)[*:1])C(=O)[O-]
CC(C)OC(=O)NCc1ccc(N[C@@H]2CCN(c3ccccc3)C2=O)cc1 CC(C)OC(=O)NC[*:1] O=C1[C@@H](CCN1c1ccccc1)Nc1ccc(cc1)[*:1]
CC(C)OC(=O)NCc1ccc(N[C@@H]2CCN(c3ccccc3)C2=O)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)N[C@@H]1CCN(C1=O)c1ccccc1)O[*:1]
CC(C)OC(=O)NCc1ccc(N[C@@H]2CCN(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CC(C)OC(=O)NCc1ccc(cc1)N[C@@H]1CCN(C1=O)[*:1]
CC(C)OC(=O)NCc1ccc(N[C@@H]2CCN(c3ccccc3)C2=O)cc1 CC(C)OC(=O)N[*:1] O=C1[C@@H](CCN1c1ccccc1)Nc1ccc(cc1)C[*:1]
COC(C)(C)CNC(=O)N[C@@H](C)CCc1ccccc1 c1ccc(cc1)[*:1] COC(C)(C)CNC(=O)N[C@@H](C)CC[*:1]
COC(C)(C)CNC(=O)N[C@@H](C)CCc1ccccc1 COC(C)(C)[*:1] C[C@@H](CCc1ccccc1)NC(=O)NC[*:1]
COC(C)(C)CNC(=O)N[C@@H](C)CCc1ccccc1 COC(C)(C)C[*:1] C[C@@H](CCc1ccccc1)NC(=O)N[*:1]
COc1ccc2nc(NC(=O)/C=C/c3ccccc3Cl)sc2c1 Clc1ccccc1[*:1] COc1ccc2nc(NC(=O)C=C[*:1])sc2c1
N#CCCN(CCC(F)(F)F)Cc1cc(Cl)cc2c1OCOC2 FC(F)(F)C[*:1] N#CCCN(Cc1cc(Cl)cc2COCOc21)C[*:1]
N#CCCN(CCC(F)(F)F)Cc1cc(Cl)cc2c1OCOC2 FC(F)(F)[*:1] N#CCCN(CC[*:1])Cc1cc(Cl)cc2COCOc21
N#CCCN(CCC(F)(F)F)Cc1cc(Cl)cc2c1OCOC2 N#CC[*:1] FC(F)(F)CCN(Cc1cc(Cl)cc2COCOc21)C[*:1]
N#CCCN(CCC(F)(F)F)Cc1cc(Cl)cc2c1OCOC2 N#CCC[*:1] FC(F)(F)CCN(Cc1cc(Cl)cc2COCOc21)[*:1]
N#CCCN(CCC(F)(F)F)Cc1cc(Cl)cc2c1OCOC2 FC(F)(F)CC[*:1] N#CCCN(Cc1cc(Cl)cc2COCOc21)[*:1]
CC(C)COC[C@H](C)NC(=O)N1CCO[C@@H](C)[C@H]1C CC(C)C[*:1] C[C@@H](CO[*:1])NC(=O)N1CCO[C@@H](C)[C@H]1C
CC(C)COC[C@H](C)NC(=O)N1CCO[C@@H](C)[C@H]1C CC(C)[*:1] C[C@@H](COC[*:1])NC(=O)N1CCO[C@@H](C)[C@H]1C
CC(C)COC[C@H](C)NC(=O)N1CCO[C@@H](C)[C@H]1C CC(C)COC[*:1] C[C@@H]1OCCN(C(=O)N[C@@H](C)[*:1])[C@@H]1C
CC(C)COC[C@H](C)NC(=O)N1CCO[C@@H](C)[C@H]1C CC(C)CO[*:1] C[C@@H](C[*:1])NC(=O)N1CCO[C@@H](C)[C@H]1C
N#[N+]Nc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cn1 N#[N+]N[*:1] O=C(Nc1ccc2[nH]ccc2c1)c1ccc(nc1)[*:1]
COC(=O)c1c(C2CC2)csc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 C1CC1[*:1] COC(=O)c1c(csc1NC(=O)[C@@H]1CC(=O)N(C1)C(C)C)[*:1]
COC(=O)c1c(C2CC2)csc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CC(C)[*:1] COC(=O)c1c(csc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1])C1CC1
COC(=O)c1c(C2CC2)csc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 COC(=O)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)Nc1scc(c1[*:1])C1CC1
CC(C)(C)C[C@H](CO)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 CC(C)(C)[*:1] CC1(C)C[C@H]([NH2+][C@@H](CO)C[*:1])c2ccccc2O1
CC(C)(C)C[C@H](CO)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 CC(C)(C)C[*:1] CC1(C)C[C@H]([NH2+][C@@H](CO)[*:1])c2ccccc2O1
O=C(COc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F c1ccc(cc1)OC[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F)[*:1]
O=C(COc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F c1ccc(cc1)[*:1] O=C(CO[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F
O=C(COc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F c1ccc(cc1)O[*:1] O=C(C[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F
O=C(COc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] O=C(COc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
C[C@H]1CN(C(=O)CSc2nnnn2C)[C@H](C)CO1 Cn1nnnc1[*:1] C[C@H]1CN(C(=O)CS[*:1])[C@H](C)CO1
CCC1(CNC(=O)C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)CC1 CCC1(CC1)C[*:1] O=C(Nc1ccc(cc1)-c1nnc2CCCCn21)C(=O)N[*:1]
CCC1(CNC(=O)C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)CC1 C1CCn2c(C1)nnc2[*:1] CCC1(CC1)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCC1(CNC(=O)C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)-c1nnc2CCCCn21
Cc1ccn2c(C[NH+](C)Cc3cn(C)nc3C(C)C)cnc2c1 CC(C)[*:1] Cc1ccn2c(cnc2c1)C[NH+](C)Cc1cn(C)nc1[*:1]
O=C(NCc1ccnc(-n2cccn2)c1)C(=O)Nc1cccc2cnccc12 c1cnn(c1)[*:1] O=C(NCc1ccnc(c1)[*:1])C(=O)Nc1cccc2cnccc12
Cc1cc(COC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)on1 Fc1ccc(cc1)[*:1] Cc1cc(COC(=O)c2nc(-c3cccs3)n(n2)[*:1])on1
Cc1cc(COC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)on1 c1csc(c1)[*:1] Cc1cc(COC(=O)c2nc(n(n2)-c2ccc(F)cc2)[*:1])on1
Cc1cc(COC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)on1 Cc1cc(C[*:1])on1 O=C(O[*:1])c1nc(-c2cccs2)n(n1)-c1ccc(F)cc1
Cc1cc(COC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)on1 Cc1cc(on1)[*:1] O=C(OC[*:1])c1nc(-c2cccs2)n(n1)-c1ccc(F)cc1
C[C@H](O)CN(C)C(=O)NCc1c(F)cccc1OC(F)F C[C@H](O)C[*:1] CN(C(=O)NCc1c(F)cccc1OC(F)F)[*:1]
C[C@H](O)CN(C)C(=O)NCc1c(F)cccc1OC(F)F FC(F)[*:1] C[C@H](O)CN(C)C(=O)NCc1c(F)cccc1O[*:1]
C[C@H](O)CN(C)C(=O)NCc1c(F)cccc1OC(F)F C[C@H](O)[*:1] CN(C[*:1])C(=O)NCc1c(F)cccc1OC(F)F
C[C@H](O)CN(C)C(=O)NCc1c(F)cccc1OC(F)F FC(F)O[*:1] C[C@H](O)CN(C)C(=O)NCc1c(F)cccc1[*:1]
Cc1cc2nc(NC(=O)c3cnn(-c4ccccc4)c3C)sc2cc1C c1ccc(cc1)[*:1] Cc1cc2nc(NC(=O)c3cnn(c3C)[*:1])sc2cc1C
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2ncn[nH]2)c1 c1n[nH]c(n1)[*:1] COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(c1)[*:1]
COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2ncn[nH]2)c1 COC(=O)[*:1] O=S(=O)([N-]c1cccc(c1)-c1ncn[nH]1)c1ccc(Cl)nc1[*:1]
O=C([O-])[C@H]1CCN(c2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C([O-])[C@H]1CCN(c2ccc(F)cc2)[C@@H]1c1ccc(cc1)[*:1]
O=C([O-])[C@H]1CCN(c2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 Fc1ccc(cc1)[*:1] O=C([O-])[C@H]1CCN([C@@H]1c1ccc(cc1)C(F)(F)F)[*:1]
O=C([O-])[C@H]1CCN(c2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 O=C([O-])[*:1] Fc1ccc(cc1)N1CC[C@@H]([C@H]1c1ccc(cc1)C(F)(F)F)[*:1]
Cc1ccc(SCCNC(=O)c2cccnc2N2CCCC2)cc1 Cc1ccc(cc1)S[*:1] O=C(NCC[*:1])c1cccnc1N1CCCC1
Cc1ccc(SCCNC(=O)c2cccnc2N2CCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCS[*:1])c1cccnc1N1CCCC1
Cc1ccc(SCCNC(=O)c2cccnc2N2CCCC2)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)SCCNC(=O)c1cccnc1[*:1]
CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C(N)=O)O1 NC(=O)[*:1] CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O1)[*:1]
C#CCN1CCC(C(=O)N[C@H](C)COc2ccccc2C)CC1 Cc1ccccc1[*:1] C#CCN1CCC(CC1)C(=O)N[C@H](C)CO[*:1]
C#CCN1CCC(C(=O)N[C@H](C)COc2ccccc2C)CC1 C#CC[*:1] Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(CC1)[*:1]
CSC[C@@H]1CCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 CS(=O)(=O)[*:1] CSC[C@@H]1CCN(C1)C(=O)N[C@@H](C[*:1])c1ccccc1
CSC[C@@H]1CCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 CS(=O)(=O)C[*:1] CSC[C@@H]1CCN(C1)C(=O)N[C@@H](c1ccccc1)[*:1]
CSC[C@@H]1CCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 CSC[*:1] CS(=O)(=O)C[C@H](NC(=O)N1CC[C@H](C1)[*:1])c1ccccc1
CSC[C@@H]1CCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CSC[C@@H]1CCN(C1)C(=O)N[C@@H](CS(C)(=O)=O)[*:1]
CCOc1cc2c(cc1NCC(=O)N1CCCC[C@H]1C)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)NCC(=O)N1CCCC[C@H]1C)[*:1]
CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)CSc1ccccc1 c1ccc(cc1)S[*:1] CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)C[*:1]
CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)CSc1ccccc1 c1ccc(cc1)SC[*:1] CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)[*:1]
CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)CSc1ccccc1 CCOC(=O)[*:1] Cc1ccc2=[NH+][C@H](C(NC(=O)CSc3ccccc3)=c2c1)[*:1]
CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)CSc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)CS[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)[C@H]1CCO[C@@H]1C c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)[C@H]1CCO[C@@H]1C)[*:1]
CN(Cc1ncnn1C)S(=O)(=O)c1cccc(C#N)c1 Cn1ncnc1[*:1] CN(C[*:1])S(=O)(=O)c1cccc(C#N)c1
COc1ccc(/C(=N/O)C(C)(C)NO)cc1 CC(C)(NO)[*:1] COc1ccc(cc1)C(=NO)[*:1]
COc1cc(C)c(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)cc1OC FC(F)(F)[*:1] COc1cc(C)c(cc1OC)C[NH2+][C@@H](C)c1ccc(cc1)[*:1]
COC(=O)C[C@H]1CN(C(=O)Cc2ccc[nH]2)CCO1 c1c[nH]c(c1)C[*:1] COC(=O)C[C@H]1CN(CCO1)C(=O)[*:1]
COC(=O)C[C@H]1CN(C(=O)Cc2ccc[nH]2)CCO1 COC(=O)C[*:1] O=C(Cc1ccc[nH]1)N1CCO[C@H](C1)[*:1]
COC(=O)C[C@H]1CN(C(=O)Cc2ccc[nH]2)CCO1 COC(=O)[*:1] O=C(Cc1ccc[nH]1)N1CCO[C@H](C1)C[*:1]
COC(=O)C[C@H]1CN(C(=O)Cc2ccc[nH]2)CCO1 c1c[nH]c(c1)[*:1] COC(=O)C[C@H]1CN(CCO1)C(=O)C[*:1]
Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12 c1ccc(cc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N3CCN(CC3)C(=O)[*:1])c12)-c1ccco1
Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12 c1coc(c1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12)[*:1]
CCc1nn(C)cc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CCc1nn(C)cc1C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CN1C(N)=[NH+]C[C@]12CCC[C@H](C1CC1)C2 C1CC1[*:1] CN1C(N)=[NH+]C[C@]12CCC[C@H](C2)[*:1]
CC1(C)O[C@](C)([C@H](O)C2CCCCC2)CC[C@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)O[C@@](C)(CC[C@@H]1[*:1])[C@H](O)C1CCCCC1
CC1(C)O[C@](C)([C@H](O)C2CCCCC2)CC[C@H]1C(=O)[O-] C1CCC(CC1)[*:1] CC1(C)O[C@@](C)(CC[C@H]1C(=O)[O-])[C@H](O)[*:1]
O=C(NCCOc1ccc(F)c(F)c1)N[C@@H]1CCc2c(O)cccc21 Fc1ccc(cc1F)[*:1] O=C(NCCO[*:1])N[C@@H]1CCc2c(O)cccc21
COc1ccccc1[C@@H](CNC(=O)c1cc2ccccc2oc1=O)[NH+]1CCCC1 COc1ccccc1[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1cc2ccccc2oc1=O
CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)cc1 CCO[*:1] C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)c1cc(C[NH+](C(C)C)C2CCC2)c(C)s1 COC(=O)[*:1] Cc1sc(cc1C[NH+](C(C)C)C1CCC1)[*:1]
COC(=O)c1cc(C[NH+](C(C)C)C2CCC2)c(C)s1 C1CC(C1)[*:1] COC(=O)c1cc(C[NH+](C(C)C)[*:1])c(C)s1
COC(=O)c1cc(C[NH+](C(C)C)C2CCC2)c(C)s1 CC(C)[*:1] COC(=O)c1cc(C[NH+](C2CCC2)[*:1])c(C)s1
CN1CCN(C(=O)c2ccc(Sc3cccc(Cl)c3)c([N+](=O)[O-])c2)CC1 Clc1cccc(c1)S[*:1] CN1CCN(CC1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN1CCN(C(=O)c2ccc(Sc3cccc(Cl)c3)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CN1CCN(CC1)C(=O)c1ccc(Sc2cccc(Cl)c2)c(c1)[*:1]
CN1CCN(C(=O)c2ccc(Sc3cccc(Cl)c3)c([N+](=O)[O-])c2)CC1 Clc1cccc(c1)[*:1] CN1CCN(CC1)C(=O)c1ccc(S[*:1])c(c1)[N+](=O)[O-]
CCc1nc(C)c([C@H](C)NC[C@@H](OC)c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] CCc1nc(C)c(s1)[C@H](C)NC[C@@H](OC)[*:1]
O=C(COc1ccc(F)cc1)Nc1nc(-c2ccc(Br)cc2)ns1 Fc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1nc(ns1)-c1ccc(Br)cc1
O=C(COc1ccc(F)cc1)Nc1nc(-c2ccc(Br)cc2)ns1 Fc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1nc(ns1)-c1ccc(Br)cc1
O=C(COc1ccc(F)cc1)Nc1nc(-c2ccc(Br)cc2)ns1 Brc1ccc(cc1)[*:1] O=C(COc1ccc(F)cc1)Nc1nc(ns1)[*:1]
Nc1cnn(Cc2ccccc2)c1C(F)F FC(F)[*:1] Nc1cnn(Cc2ccccc2)c1[*:1]
CCCC(=O)N1CC[C@@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 CCC[*:1] Cc1nc(ncc1C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCN(C1)C(=O)[*:1]
CCCC(=O)N1CC[C@@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 Clc1ccc(cc1)[*:1] CCCC(=O)N1CC[C@H](C1)c1ncc(C(=O)N[*:1])c(C)n1
CCCC(=O)N1CCC(C(=O)NC2(c3cccc(F)c3)CCOCC2)CC1 CCC[*:1] O=C(NC1(CCOCC1)c1cccc(F)c1)C1CCN(CC1)C(=O)[*:1]
CCCC(=O)N1CCC(C(=O)NC2(c3cccc(F)c3)CCOCC2)CC1 Fc1cccc(c1)[*:1] CCCC(=O)N1CCC(CC1)C(=O)NC1(CCOCC1)[*:1]
CC(=O)c1nc2ccccc2n1C(=O)C[NH+]1CCCC1 CC(=O)[*:1] O=C(C[NH+]1CCCC1)n1c(nc2ccccc21)[*:1]
O=C(c1cccnc1N1CCCC1)N1CCC(CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(c1cccnc1N1CCCC1)N1CCC(CC1)[*:1]
O=C(c1cccnc1N1CCCC1)N1CCC(CCc2ccccc2)CC1 C1CCN(C1)[*:1] O=C(c1cccnc1[*:1])N1CCC(CCc2ccccc2)CC1
O=C(c1cccnc1N1CCCC1)N1CCC(CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccnc1N1CCCC1)N1CCC(CC1)CC[*:1]
O=C(c1cccnc1N1CCCC1)N1CCC(CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cccnc1N1CCCC1)N1CCC(CC1)C[*:1]
CN(Cc1[nH+]ccn1C)C(=O)c1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] CN(Cc1[nH+]ccn1C)C(=O)c1csc(n1)[*:1]
CC(C)c1nnc(NC(=O)CSc2ccccc2N)o1 CC(C)[*:1] Nc1ccccc1SCC(=O)Nc1nnc(o1)[*:1]
O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@](=O)c2ccccc2)o1 Clc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(C[S@](=O)c2ccccc2)o1
O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@](=O)c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@](=O)[*:1])o1
O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@](=O)c2ccccc2)o1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(C[S@](=O)c2ccccc2)o1
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCNC(=O)[C@@H]3C)CC2)cc1 COc1ccc(cc1)[*:1] C[C@H]1C(=O)NCCN1C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 Cc1n[nH]c(C)c1C[*:1] C[C@@H](C(=O)N1CC[C@@H](C1)C[NH+]1CCCCC1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)N1CC[C@@H](C1)C[NH+]1CCCCC1
CCNc1ccc(Br)cc(C(=O)/C=C/c2ccccc2Br)c1=O Brc1ccccc1[*:1] CCNc1ccc(Br)cc(C(=O)C=C[*:1])c1=O
CCNc1ccc(Br)cc(C(=O)/C=C/c2ccccc2Br)c1=O CCN[*:1] O=C(/C=C/c1ccccc1Br)c1cc(Br)ccc(c1=O)[*:1]
Cc1cccc(C)c1NC(=O)C(=O)NCCCc1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)C(=O)NCCC[*:1]
Cc1cccc(C)c1NC(=O)C(=O)NCCCc1ccccc1 c1ccc(cc1)C[*:1] Cc1cccc(C)c1NC(=O)C(=O)NCC[*:1]
CNC(=O)c1ccc(CNC(=O)Cc2csc(-c3ccoc3)n2)cc1 CNC(=O)[*:1] O=C(Cc1csc(n1)-c1ccoc1)NCc1ccc(cc1)[*:1]
CNC(=O)c1ccc(CNC(=O)Cc2csc(-c3ccoc3)n2)cc1 c1cc(co1)[*:1] CNC(=O)c1ccc(cc1)CNC(=O)Cc1csc(n1)[*:1]
CCc1cccc(C(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)c1O c1cncc(c1)[*:1] CCc1cccc(C(=O)N(C[*:1])[C@H]2CCS(=O)(=O)C2)c1O
CCc1cccc(C(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)c1O c1cncc(c1)C[*:1] CCc1cccc(C(=O)N([C@H]2CCS(=O)(=O)C2)[*:1])c1O
C[C@H](Cc1ccc(Cl)cc1)NCc1cccc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] C[C@H](Cc1ccc(Cl)cc1)NCc1cccc(c1)[*:1]
C[C@H](Cc1ccc(Cl)cc1)NCc1cccc(-c2nc[nH]n2)c1 Clc1ccc(cc1)[*:1] C[C@H](C[*:1])NCc1cccc(c1)-c1nc[nH]n1
CC1(C)CCC[C@H]1n1c(-c2cccs2)n[nH]c1=S c1csc(c1)[*:1] CC1(C)CCC[C@H]1n1c(n[nH]c1=S)[*:1]
Cn1ncnc1NC(=O)NCc1cc(F)ccc1Br Cn1ncnc1[*:1] O=C(NCc1cc(F)ccc1Br)N[*:1]
O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCc1csc(-c2cccs2)n1 c1csc(c1)[*:1] O=S(=O)(Cc1cccc(c1)C(F)(F)F)NCc1csc(n1)[*:1]
O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCc1csc(-c2cccs2)n1 FC(F)(F)[*:1] O=S(=O)(Cc1cccc(c1)[*:1])NCc1csc(n1)-c1cccs1
CCN(Cc1cncs1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(Cc1cncs1)[C@H](C)C[*:1]
CCN(Cc1cncs1)[C@H](C)CS(C)(=O)=O c1ncc(s1)[*:1] CCN(C[*:1])[C@H](C)CS(C)(=O)=O
CCN(Cc1cncs1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(Cc1cncs1)[C@H](C)[*:1]
O=C(CN1C(=O)COc2ccccc21)NCCCN1CCCC1=O O=C1CCCN1C[*:1] O=C(CN1C(=O)COc2ccccc21)NCC[*:1]
O=C(CN1C(=O)COc2ccccc21)NCCCN1CCCC1=O O=C1CCCN1[*:1] O=C(CN1C(=O)COc2ccccc21)NCCC[*:1]
O=C(CN1C(=O)COc2ccccc21)NCCCN1CCCC1=O O=C1CCCN1CC[*:1] O=C(CN1C(=O)COc2ccccc21)NC[*:1]
CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 CC(C)C[*:1] CC(C)[C@H](NC(=O)[C@H](C)c1ccc(cc1)[*:1])C(=O)[O-]
CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 CC(C)[*:1] CC(C)[C@H](NC(=O)[C@H](C)c1ccc(cc1)C[*:1])C(=O)[O-]
CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 O=C([O-])[*:1] CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)N[C@H](C(C)C)[*:1]
CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 CC(C)[*:1] CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)N[C@H](C(=O)[O-])[*:1]
CC[NH+](Cc1cc(Cl)ccc1N)C1CC1 C1CC1[*:1] CC[NH+](Cc1cc(Cl)ccc1N)[*:1]
CC(C)CCNS(=O)(=O)c1ccccc1OC(F)(F)F CC(C)C[*:1] O=S(=O)(NC[*:1])c1ccccc1OC(F)(F)F
CC(C)CCNS(=O)(=O)c1ccccc1OC(F)(F)F FC(F)(F)[*:1] CC(C)CCNS(=O)(=O)c1ccccc1O[*:1]
CC(C)CCNS(=O)(=O)c1ccccc1OC(F)(F)F CC(C)[*:1] O=S(=O)(NCC[*:1])c1ccccc1OC(F)(F)F
CC(C)CCNS(=O)(=O)c1ccccc1OC(F)(F)F CC(C)CC[*:1] O=S(=O)(N[*:1])c1ccccc1OC(F)(F)F
CC(C)CCNS(=O)(=O)c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] CC(C)CCNS(=O)(=O)c1ccccc1[*:1]
COc1ccc(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1OC Cc1ccc(cc1)OC[*:1] COc1ccc(cc1OC)CN1CCN(CC1)C(=O)[*:1]
COc1ccc(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)CN1CCN(CC1)C(=O)CO[*:1]
COc1ccc(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1OC Cc1ccc(cc1)O[*:1] COc1ccc(cc1OC)CN1CCN(CC1)C(=O)C[*:1]
COc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 COc1ccccc1[*:1] O=C([C@@H]1CC(=O)N(C1)[C@@H]1CCS(=O)(=O)C1)N1CCN(CC1)[*:1]
Cc1cccn2c(=O)c(C(=O)NC[C@H]3CCO[C@@H]3C(C)(C)C)cnc12 CC(C)(C)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NC[C@H]1CCO[C@H]1[*:1]
Cc1cc(NC(=O)c2ccc(-n3cnnc3)cc2)c2ncccc2c1 c1nncn1[*:1] Cc1cc(NC(=O)c2ccc(cc2)[*:1])c2ncccc2c1
COCCOc1ccccc1NCC(=O)N1CCCC[C@@H]1C COCCO[*:1] C[C@H]1CCCCN1C(=O)CNc1ccccc1[*:1]
COCCOc1ccccc1NCC(=O)N1CCCC[C@@H]1C COC[*:1] C[C@H]1CCCCN1C(=O)CNc1ccccc1OC[*:1]
COCCOc1ccccc1NCC(=O)N1CCCC[C@@H]1C COCC[*:1] C[C@H]1CCCCN1C(=O)CNc1ccccc1O[*:1]
CCN(C(=O)[C@@H](C)OC)[C@@H](C)c1cccc(OC)c1 CO[C@H](C)[*:1] CCN(C(=O)[*:1])[C@@H](C)c1cccc(c1)OC
CCC(=O)N1CCC([NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 C[C@@H]1CN(CCO1)C[*:1] CCC(=O)N1CCC(CC1)[NH2+]Cc1cccc(c1)[*:1]
CCC(=O)N1CCC([NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 C[C@@H]1CN(CCO1)[*:1] CCC(=O)N1CCC(CC1)[NH2+]Cc1cccc(c1)C[*:1]
C[C@@H]1CC(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)CC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCc1[nH+]ccn1[*:1]
C[C@@H]1CC(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCc1[nH+]ccn1CC[*:1]
C[C@@H]1CC(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@@H](C)O1 c1ccc(cc1)C[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCc1[nH+]ccn1C[*:1]
C[C@H](CNC(=O)c1cn(Cc2cccnc2)nn1)N1CCOCC1 c1cncc(c1)[*:1] C[C@H](CNC(=O)c1cn(C[*:1])nn1)N1CCOCC1
C[C@H](CNC(=O)c1cn(Cc2cccnc2)nn1)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] O=C(NC[*:1])c1cn(Cc2cccnc2)nn1
C[C@H](CNC(=O)c1cn(Cc2cccnc2)nn1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)c1cn(Cc2cccnc2)nn1)[*:1]
C[C@H](CNC(=O)c1cn(Cc2cccnc2)nn1)N1CCOCC1 c1cncc(c1)C[*:1] C[C@H](CNC(=O)c1cn(nn1)[*:1])N1CCOCC1
COC(=O)c1ccccc1NCC(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] COC(=O)c1ccccc1NCC(=O)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NCC(=O)Nc1ccccc1C(F)(F)F COC(=O)[*:1] O=C(CNc1ccccc1[*:1])Nc1ccccc1C(F)(F)F
COc1ccc(-c2cc(-c3ccc(C)o3)[nH]c(=O)c2C#N)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)-c1cc([nH]c(=O)c1C#N)[*:1]
CCN(CC(=O)N1CCCCCC1)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC(=O)N1CCCCCC1)[*:1]
CCO[C@@H](C)c1nc(CNc2ccc(C(C)C)cc2)cs1 CCO[*:1] CC(C)c1ccc(cc1)NCc1csc(n1)[C@H](C)[*:1]
CCO[C@@H](C)c1nc(CNc2ccc(C(C)C)cc2)cs1 CC(C)[*:1] CCO[C@@H](C)c1nc(cs1)CNc1ccc(cc1)[*:1]
CCO[C@@H](C)c1nc(CNc2ccc(C(C)C)cc2)cs1 CCO[C@@H](C)[*:1] CC(C)c1ccc(cc1)NCc1csc(n1)[*:1]
COc1cc(OC)c(OC)cc1/C=N/NC(=O)[C@H]1C=C(c2ccccc2)N=N1 c1ccc(cc1)[*:1] COc1cc(OC)c(cc1/C=N/NC(=O)[C@H]1C=C(N=N1)[*:1])OC
C[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)c1cccc(c1)NC(=O)[*:1]
Cc1cc(C)cc(C2=CCN(S(=O)(=O)c3cccnc3)CC2)c1 c1cncc(c1)[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)S(=O)(=O)[*:1]
NC(=O)C1CCN(C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 Clc1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)C[NH+]1CCN(CC1)[*:1]
NC(=O)C1CCN(C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 NC(=O)[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(Cl)cc1)N1CCC(CC1)[*:1]
CC(C)N(C)C(=O)Cn1c(=O)n(C)c2ccccc21 CC(C)[*:1] CN(C(=O)Cn1c(=O)n(C)c2ccccc21)[*:1]
CC(C)(C)N1C[C@@H]([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CC1=O CC(C)(C)[*:1] O=C1C[C@@H](CN1[*:1])[NH2+][C@H]1CCCc2[nH]c(=O)ccc21
CCOc1ccc(N[C@@H](C)C(=O)N(C)C)cn1 CN(C)C(=O)[*:1] CCOc1ccc(cn1)N[C@@H](C)[*:1]
CCOc1ccc(N[C@@H](C)C(=O)N(C)C)cn1 CCO[*:1] C[C@H](Nc1ccc(nc1)[*:1])C(=O)N(C)C
Cc1ncc(CNC(=O)C(=O)Nc2ccc3c(ccn3CC(C)C)c2)s1 Cc1ncc(C[*:1])s1 CC(C)Cn1ccc2cc(ccc21)NC(=O)C(=O)N[*:1]
Cc1ncc(CNC(=O)C(=O)Nc2ccc3c(ccn3CC(C)C)c2)s1 CC(C)[*:1] Cc1ncc(CNC(=O)C(=O)Nc2ccc3c(ccn3C[*:1])c2)s1
Cc1ncc(CNC(=O)C(=O)Nc2ccc3c(ccn3CC(C)C)c2)s1 Cc1ncc(s1)[*:1] CC(C)Cn1ccc2cc(ccc21)NC(=O)C(=O)NC[*:1]
Cc1ncc(CNC(=O)C(=O)Nc2ccc3c(ccn3CC(C)C)c2)s1 CC(C)C[*:1] Cc1ncc(CNC(=O)C(=O)Nc2ccc3c(ccn3[*:1])c2)s1
O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc21 C(=C[*:1])c1ccccc1 O=C(c1ccco1)N1CCc2ccc(cc21)NS(=O)(=O)[*:1]
O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc21 c1coc(c1)[*:1] O=C(N1CCc2ccc(cc21)NS(=O)(=O)/C=C/c1ccccc1)[*:1]
O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc21 c1ccc(cc1)[*:1] O=C(c1ccco1)N1CCc2ccc(cc21)NS(=O)(=O)C=C[*:1]
COc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 N#CCS[*:1] COc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
COc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 N#CC[*:1] COc1ccc(cc1)NC(=O)c1cccc(c1)S[*:1]
O=C(OCCN1CCCC1=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 O=C1CCCN1CC[*:1] O=C(O[*:1])[C@@H]1CCCN(C1)C(=O)Cc1ccccc1
O=C(OCCN1CCCC1=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(OCCN1CCCC1=O)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(OCCN1CCCC1=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(OCCN1CCCC1=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
O=C(OCCN1CCCC1=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 O=C1CCCN1[*:1] O=C(OCC[*:1])[C@@H]1CCCN(C1)C(=O)Cc1ccccc1
O=C(OCCN1CCCC1=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 O=C1CCCN1C[*:1] O=C(OC[*:1])[C@@H]1CCCN(C1)C(=O)Cc1ccccc1
CN(C)C(=O)c1cccc(NCc2ncc(-c3ccc(Cl)cc3)o2)c1 Clc1ccc(cc1)[*:1] CN(C)C(=O)c1cccc(c1)NCc1ncc(o1)[*:1]
CN(C)C(=O)c1cccc(NCc2ncc(-c3ccc(Cl)cc3)o2)c1 CN(C)C(=O)[*:1] Clc1ccc(cc1)-c1cnc(CNc2cccc(c2)[*:1])o1
CC(=O)N[C@@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@@H]1O[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@@H]1Oc1ccc(cc1)[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@@H]1Oc1ccc([N+](=O)[O-])cc1 CC(=O)N[*:1] CC1(C)OC[C@H]2O[C@H](Oc3ccc(cc3)[N+](=O)[O-])[C@@H]([C@H](O)[C@H]2O1)[*:1]
C[C@H]1C[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C[C@H](c2ccccc2)C1 C[S@](=O)[*:1] C[C@H]1C[C@H](C[C@@H](C1)c1ccccc1)[NH2+]Cc1ccc(cc1)[*:1]
C[C@H]1C[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](C[C@H](C1)[*:1])[NH2+]Cc1ccc(cc1)[S@](C)=O
CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(=O)n1c2c(OC(N)=C(C#N)[C@H]2[*:1])c2ccccc21
CCCC(=O)O[C@H](C)C(=O)Nc1sccc1C#N CCC[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1sccc1C#N
CCCC(=O)O[C@H](C)C(=O)Nc1sccc1C#N CCCC(=O)O[*:1] C[C@H](C(=O)Nc1sccc1C#N)[*:1]
CCCc1cc(NC(=O)C(=O)N2CCN(C(=O)C(C)(C)C)CC2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)C(=O)N1CCN(CC1)C(=O)C(C)(C)C)[*:1]
CCCc1cc(NC(=O)C(=O)N2CCN(C(=O)C(C)(C)C)CC2)n(C)n1 CC(C)(C)[*:1] CCCc1cc(NC(=O)C(=O)N2CCN(CC2)C(=O)[*:1])n(C)n1
CC1=C(C(=O)Nc2ccccc2)[C@H](c2c(C)cc(C)cc2C)NC(=O)N1 c1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1c(C)cc(C)cc1C
O=C(c1cn(Cc2cccnc2)nn1)N(C1CCCC1)C1CC1 C1CC1[*:1] O=C(c1cn(Cc2cccnc2)nn1)N(C1CCCC1)[*:1]
O=C(c1cn(Cc2cccnc2)nn1)N(C1CCCC1)C1CC1 c1cncc(c1)[*:1] O=C(c1cn(C[*:1])nn1)N(C1CCCC1)C1CC1
O=C(c1cn(Cc2cccnc2)nn1)N(C1CCCC1)C1CC1 C1CCC(C1)[*:1] O=C(c1cn(Cc2cccnc2)nn1)N(C1CC1)[*:1]
O=C(c1cn(Cc2cccnc2)nn1)N(C1CCCC1)C1CC1 c1cncc(c1)C[*:1] O=C(c1cn(nn1)[*:1])N(C1CCCC1)C1CC1
CCOC(=O)c1ccc2ncc(C)n2c1 CCOC(=O)[*:1] Cc1cnc2ccc(cn12)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)NC[C@@H]2CCO[C@@H]2C(C)(C)C)c1 CC(C)(C)[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)NC[C@@H]1CCO[C@H]1[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)NC[C@@H]2CCO[C@@H]2C(C)(C)C)c1 CN(C)C(=O)[*:1] CC(C)(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(ccc1F)[*:1]
C[C@H](NS(=O)(=O)c1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])c1cccnc1
C[C@H](NS(=O)(=O)c1ccccc1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](NS(=O)(=O)c1ccccc1)[*:1]
CCSc1cncc(NC[C@@H](O)c2ccc(Cl)s2)n1 Clc1ccc(s1)[*:1] CCSc1cncc(n1)NC[C@@H](O)[*:1]
CCSc1cncc(NC[C@@H](O)c2ccc(Cl)s2)n1 CCS[*:1] O[C@H](CNc1cncc(n1)[*:1])c1ccc(Cl)s1
COc1ccccc1OCCC(=O)N(C)c1c(C)noc1C Cc1noc(C)c1[*:1] COc1ccccc1OCCC(=O)N(C)[*:1]
COCC[C@@H](C)[NH2+]C[C@](C)(O)c1ccc(F)cc1F COCC[*:1] C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1F)[*:1]
COCC[C@@H](C)[NH2+]C[C@](C)(O)c1ccc(F)cc1F COCC[C@@H](C)[*:1] C[C@](O)(C[NH2+][*:1])c1ccc(F)cc1F
COCC[C@@H](C)[NH2+]C[C@](C)(O)c1ccc(F)cc1F COC[*:1] C[C@H](C[*:1])[NH2+]C[C@](C)(O)c1ccc(F)cc1F
c1ccc(-c2[nH]cc(CN3CC[NH+](CC4CCCC4)CC3)[nH+]2)cc1 C1CCC(C1)[*:1] c1ccc(cc1)-c1[nH]cc(CN2CC[NH+](CC2)C[*:1])[nH+]1
c1ccc(-c2[nH]cc(CN3CC[NH+](CC4CCCC4)CC3)[nH+]2)cc1 c1ccc(cc1)[*:1] c1[nH]c([nH+]c1CN1CC[NH+](CC1)CC1CCCC1)[*:1]
c1ccc(-c2[nH]cc(CN3CC[NH+](CC4CCCC4)CC3)[nH+]2)cc1 C1CCC(C1)C[*:1] c1ccc(cc1)-c1[nH]cc(CN2CC[NH+](CC2)[*:1])[nH+]1
COC(=O)CCCNS(=O)(=O)c1cc(F)ccc1C COC(=O)[*:1] Cc1ccc(F)cc1S(=O)(=O)NCCC[*:1]
COC(=O)CCCNS(=O)(=O)c1cc(F)ccc1C COC(=O)CC[*:1] Cc1ccc(F)cc1S(=O)(=O)NC[*:1]
COC(=O)CCCNS(=O)(=O)c1cc(F)ccc1C COC(=O)C[*:1] Cc1ccc(F)cc1S(=O)(=O)NCC[*:1]
CCC(=O)N1CC[C@H](NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)C1 CC(C)(C)OC(=O)[*:1] CCC(=O)N1CC[C@@H](C1)NC(=O)c1ccc(cc1)[*:1]
CCC(=O)N1CC[C@H](NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)C1 CC(C)(C)[*:1] CCC(=O)N1CC[C@@H](C1)NC(=O)c1ccc(cc1)C(=O)O[*:1]
CN(C)c1cc(CNC(=O)[C@H]2CCS(=O)(=O)C2)cc[nH+]1 CN(C)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])[C@H]1CCS(=O)(=O)C1
CC(=O)Nc1ccc(C)c(N[C@H](C)c2ccc(C#N)cc2)c1 CC(=O)N[*:1] Cc1ccc(cc1N[C@H](C)c1ccc(C#N)cc1)[*:1]
O=C(NC[C@H]1CCCO1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 O=C(NC[C@H]1CCCO1)[*:1] O=S(=O)(Nc1cc(ccc1Cl)[*:1])c1ccc(F)cc1
O=C(NC[C@H]1CCCO1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)c1ccc(Cl)c(c1)NS(=O)(=O)[*:1]
COC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(C)cc2C)cc1 COC(=O)[*:1] Cc1ccc(OCC(=O)NNC(=O)c2ccc(cc2)[*:1])c(C)c1
COC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(C)cc2C)cc1 Cc1ccc(c(C)c1)[*:1] COC(=O)c1ccc(cc1)C(=O)NNC(=O)CO[*:1]
CCC[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CN(CCC)CCO1 CCC[*:1] CCC[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CN(CCO1)[*:1]
CCC[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CN(CCC)CCO1 CCC[*:1] CCCN1CCO[C@H](C1)[C@H]([NH2+][*:1])c1ccc(Cl)s1
CCC[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CN(CCC)CCO1 Clc1ccc(s1)[*:1] CCC[NH2+][C@H]([C@H]1CN(CCC)CCO1)[*:1]
C=CCn1nnnc1NCc1ccc(-c2ccccc2)o1 C=CC[*:1] c1ccc(cc1)-c1ccc(CNc2nnnn2[*:1])o1
C=CCn1nnnc1NCc1ccc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C=CCn1nnnc1NCc1ccc(o1)[*:1]
COc1cc(C(=O)NC(C)(C)C)ccc1OCc1ccccc1Cl CC(C)(C)NC(=O)[*:1] COc1cc(ccc1OCc1ccccc1Cl)[*:1]
COc1cc(C(=O)NC(C)(C)C)ccc1OCc1ccccc1Cl CC(C)(C)[*:1] COc1cc(ccc1OCc1ccccc1Cl)C(=O)N[*:1]
COc1cc(C(=O)NC(C)(C)C)ccc1OCc1ccccc1Cl Clc1ccccc1[*:1] COc1cc(ccc1OC[*:1])C(=O)NC(C)(C)C
COc1cc(C(=O)NC(C)(C)C)ccc1OCc1ccccc1Cl Clc1ccccc1C[*:1] COc1cc(ccc1O[*:1])C(=O)NC(C)(C)C
COc1ccc(/C=N/CCc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(/C=N/CC[*:1])cc1
CCOc1ccc2oc(C(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)c(C)c2c1 CCO[*:1] Cc1cccc(NC(=O)CN2CCN(CC2)C(=O)c2oc3ccc(cc3c2C)[*:1])c1C
CCOc1ccc2oc(C(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)c(C)c2c1 Cc1cccc(c1C)[*:1] CCOc1ccc2oc(C(=O)N3CCN(CC3)CC(=O)N[*:1])c(C)c2c1
CCOc1ccc2oc(C(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)c(C)c2c1 Cc1cccc(NC(=O)[*:1])c1C CCOc1ccc2oc(C(=O)N3CCN(CC3)C[*:1])c(C)c2c1
CCSc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 CCS[*:1] O=C(Nc1cccc(Cl)c1)Nc1nnc(s1)[*:1]
C[C@H]1CCC[C@H]1NC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] C[C@H]1CCC[C@H]1NC(=O)NCC(C)(C)[*:1]
C[C@H]1CCC[C@H]1NC(=O)NCC(C)(C)c1ccncc1 C[C@H]1CCC[C@@H]1[*:1] CC(C)(CNC(=O)N[*:1])c1ccncc1
Cc1ccc(O[C@H](C)CNC(=O)c2cccc(C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(n1)C(=O)NC[C@@H](C)O[*:1]
Cc1ccc(O[C@H](C)CNC(=O)c2cccc(C)n2)cc1 Cc1cccc(n1)[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)[*:1]
O=[N+]([O-])c1ccc(F)cc1COc1ccc(CCl)nc1 O=[N+]([O-])[*:1] Fc1ccc(c(c1)COc1ccc(CCl)nc1)[*:1]
Cc1ccc(NC(=O)c2c[nH]c(C(N)=O)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)c1c[nH]c(c1)C(N)=O
Cc1ccc(NC(=O)c2c[nH]c(C(N)=O)c2)cc1[N+](=O)[O-] NC(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)c1c[nH]c(c1)[*:1]
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1=COCCO1 COC(=O)[*:1] COC(=O)C1=C(C)NC(C)=C(C1C1=COCCO1)[*:1]
O=C(NNC(=S)Nc1ccc(Br)cc1Cl)c1ccncc1 c1cc(ccn1)[*:1] O=C(NNC(=S)Nc1ccc(Br)cc1Cl)[*:1]
CO[C@@H](C)C(=O)Nc1ccc(Cl)cc1-n1cccc1 c1ccn(c1)[*:1] CO[C@@H](C)C(=O)Nc1ccc(Cl)cc1[*:1]
CO[C@@H](C)C(=O)Nc1ccc(Cl)cc1-n1cccc1 CO[C@@H](C)[*:1] O=C(Nc1ccc(Cl)cc1-n1cccc1)[*:1]
O=C(c1ccc(-n2cnnc2)cc1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 c1cnc(cn1)[*:1] O=C(c1ccc(cc1)-n1cnnc1)N1C[C@H]2CC[C@@H]1CN(C2)[*:1]
O=C(c1ccc(-n2cnnc2)cc1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 c1nncn1[*:1] O=C(c1ccc(cc1)[*:1])N1C[C@H]2CC[C@@H]1CN(C2)c1cnccn1
CC(=O)NCC(=O)NC(C)(C)C CC(=O)N[*:1] CC(C)(C)NC(=O)C[*:1]
CC(=O)NCC(=O)NC(C)(C)C CC(C)(C)[*:1] CC(=O)NCC(=O)N[*:1]
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CCC(C)(C)C CC(C)[*:1] C[C@H](NC(=O)[C@H]1CSCN1C(=O)CCC(C)(C)C)[*:1]
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CCC(C)(C)C CC(C)(C)C[*:1] CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C[*:1]
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CCC(C)(C)C CC(C)(C)[*:1] CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CC[*:1]
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CCC(C)(C)C CC(C)(C)CC[*:1] CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[*:1]
CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CCC(C)(C)C CC(C)[C@H](C)[*:1] CC(C)(C)CCC(=O)N1CSC[C@@H]1C(=O)N[*:1]
COc1ccccc1Cc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 COc1ccccc1[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(C[*:1])s1
COc1ccccc1Cc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 COc1ccccc1C[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(s1)[*:1]
O=[N+]([O-])c1ccc(Nn2cccc2)cn1 O=[N+]([O-])[*:1] c1ccn(c1)Nc1ccc(nc1)[*:1]
CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2[*:1]
Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc1 Clc1ccc(cc1)[*:1] Cc1ccc(nc1)NC(=O)C(C)(C)O[*:1]
Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc1 Cc1ccc(nc1)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N[*:1]
O=C(NC[C@H](O)C1CCOCC1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(NC[C@H](O)C1CCOCC1)N[C@@H]1CCCC[C@H]1[*:1]
O=C(NC[C@H](O)C1CCOCC1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CC(CCO1)[*:1] O=C(NC[C@H](O)[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
O=C(NC[C@H](O)C1CCOCC1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(NC[C@H](O)C1CCOCC1)N[C@@H]1CCCC[C@@H]1O[*:1]
O=C(NC[C@H](O)C1CCOCC1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 O[C@H](C1CCOCC1)[*:1] O=C(NC[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
C[C@H]([NH2+]CCC1CCCC1)[C@@H](C)O C[C@@H](O)[*:1] C[C@H]([NH2+]CCC1CCCC1)[*:1]
CCc1ccc(C(=O)NNC(=O)c2cccnc2OCC(F)F)cc1 CCc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1cccnc1OCC(F)F
CCc1ccc(C(=O)NNC(=O)c2cccnc2OCC(F)F)cc1 FC(F)CO[*:1] CCc1ccc(cc1)C(=O)NNC(=O)c1cccnc1[*:1]
CCc1ccc(C(=O)NNC(=O)c2cccnc2OCC(F)F)cc1 FC(F)C[*:1] CCc1ccc(cc1)C(=O)NNC(=O)c1cccnc1O[*:1]
CCc1ccc(C(=O)NNC(=O)c2cccnc2OCC(F)F)cc1 FC(F)[*:1] CCc1ccc(cc1)C(=O)NNC(=O)c1cccnc1OC[*:1]
C[C@H](NC(=O)c1ccccc1-c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](NC(=O)c1ccccc1-c1ccccc1)[*:1]
C[C@H](NC(=O)c1ccccc1-c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1[*:1])c1cccc(F)c1
CCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 CCCC[C@@H](C)[*:1] O[C@H](C[NH2+][*:1])c1ccc(Cl)c(F)c1
CCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 CCCC[*:1] C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)[*:1]
CCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 CCC[*:1] C[C@H](C[*:1])[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1
O=C(C[NH+]1CCSCC1)Nc1nc(-c2ccccc2Cl)cs1 Clc1ccccc1[*:1] O=C(C[NH+]1CCSCC1)Nc1nc(cs1)[*:1]
Cc1nn(C)c(=O)c(-c2nnn(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)n2)c1C c1ccc(cc1)[*:1] Cc1nn(C)c(=O)c(-c2nnn(C[C@@H](O)COc3ccc(cc3)[*:1])n2)c1C
Cc1nn(C)c(=O)c(-c2nnn(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)n2)c1C Cc1nn(C)c(=O)c(c1C)[*:1] O[C@@H](COc1ccc(cc1)-c1ccccc1)Cn1nnc(n1)[*:1]
Cc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(F)c3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(Cc2cccc(F)c2)C1=O)[*:1]
Cc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(F)c3)C2=O)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)[C@@]1(C)NC(=O)N(C[*:1])C1=O
NC(=O)Cn1cc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)nn1 NC(=O)C[*:1] O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cn(nn1)[*:1]
NC(=O)Cn1cc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)nn1 c1ccc(cc1)C[*:1] NC(=O)Cn1cc(nn1)C(=O)N[C@H]1CCC[C@H]1[*:1]
NC(=O)Cn1cc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)nn1 c1ccc(cc1)[*:1] NC(=O)Cn1cc(nn1)C(=O)N[C@H]1CCC[C@@H]1C[*:1]
NC(=O)Cn1cc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)nn1 NC(=O)[*:1] O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cn(C[*:1])nn1
COC[C@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)c1cccc(C(F)(F)F)c1 COC[*:1] FC(F)(F)c1cccc(c1)[C@@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)[*:1]
COC[C@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COC[C@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)c1cccc(c1)[*:1]
COc1ccccc1[C@@H](NC(=O)CCc1c(C)noc1Cl)C(C)(C)C COc1ccccc1[*:1] Cc1noc(Cl)c1CCC(=O)N[C@@H](C(C)(C)C)[*:1]
COc1ccccc1[C@@H](NC(=O)CCc1c(C)noc1Cl)C(C)(C)C CC(C)(C)[*:1] COc1ccccc1[C@@H](NC(=O)CCc1c(C)noc1Cl)[*:1]
COc1ccccc1[C@@H](NC(=O)CCc1c(C)noc1Cl)C(C)(C)C Cc1noc(Cl)c1C[*:1] COc1ccccc1[C@@H](NC(=O)C[*:1])C(C)(C)C
COc1ccccc1[C@@H](NC(=O)CCc1c(C)noc1Cl)C(C)(C)C Cc1noc(Cl)c1[*:1] COc1ccccc1[C@@H](NC(=O)CC[*:1])C(C)(C)C
Cc1ccc(C[NH+](CC(=O)N2CCOCC2)Cc2ccco2)s1 c1coc(c1)C[*:1] Cc1ccc(C[NH+](CC(=O)N2CCOCC2)[*:1])s1
Cc1ccc(C[NH+](CC(=O)N2CCOCC2)Cc2ccco2)s1 c1coc(c1)[*:1] Cc1ccc(C[NH+](CC(=O)N2CCOCC2)C[*:1])s1
Cc1ccc(C[NH+](CC(=O)N2CCOCC2)Cc2ccco2)s1 Cc1ccc(s1)[*:1] O=C(C[NH+](Cc1ccco1)C[*:1])N1CCOCC1
Cc1ccc(C[NH+](CC(=O)N2CCOCC2)Cc2ccco2)s1 Cc1ccc(C[*:1])s1 O=C(C[NH+](Cc1ccco1)[*:1])N1CCOCC1
N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@H]1[*:1])N1CCOCC1
CCC(CC)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N Clc1ccc(cc1)[*:1] CCC(CC)NC(=O)CSc1nnc(n1N)[*:1]
CCC(CC)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N CCC(CC)[*:1] Nn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)N[*:1]
CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@H]2CCCO2)cc1Cl CC(C)O[*:1] C[C@@H](NC(=O)Nc1ccc(c(Cl)c1)[*:1])[C@H]1CCCO1
CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@H]2CCCO2)cc1Cl CC(C)[*:1] C[C@@H](NC(=O)Nc1ccc(O[*:1])c(Cl)c1)[C@H]1CCCO1
CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@H]2CCCO2)cc1Cl C1CO[C@H](C1)[*:1] CC(C)Oc1ccc(cc1Cl)NC(=O)N[C@H](C)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C
CC[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 c1ccc(cc1)C[*:1] CC[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 Cc1n[nH]c(C)c1[*:1] CC[C@H](Cc1ccccc1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)OC(=O)N1CCC(NC(=O)c2nc(C3CC3)n3ccccc23)CC1 C1CC1[*:1] CC(C)OC(=O)N1CCC(CC1)NC(=O)c1nc(n2ccccc12)[*:1]
CC(C)OC(=O)N1CCC(NC(=O)c2nc(C3CC3)n3ccccc23)CC1 CC(C)[*:1] O=C(NC1CCN(CC1)C(=O)O[*:1])c1nc(C2CC2)n2ccccc12
CC(C)c1cc(Sc2ncc[nH]2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1cc(nc(n1)[*:1])Sc1ncc[nH]1
CC(C)c1cc(Sc2ncc[nH]2)nc(C(C)C)n1 c1c[nH]c(n1)[*:1] CC(C)c1cc(nc(n1)C(C)C)S[*:1]
CC(C)c1cc(Sc2ncc[nH]2)nc(C(C)C)n1 c1c[nH]c(n1)S[*:1] CC(C)c1cc(nc(n1)C(C)C)[*:1]
CC(C)c1cc(Sc2ncc[nH]2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1nc(cc(n1)[*:1])Sc1ncc[nH]1
C[C@@H](Oc1cccc(C#N)c1)C(=O)N[C@H](CO)c1ccccc1F Fc1ccccc1[*:1] C[C@@H](Oc1cccc(C#N)c1)C(=O)N[C@H](CO)[*:1]
C[C@@H](Oc1cccc(C#N)c1)C(=O)N[C@H](CO)c1ccccc1F N#Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N[C@H](CO)c1ccccc1F
C[C@@H](CCO)C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C OCC[*:1] C[C@H]([NH2+]C[C@H](C)[*:1])c1nc2ccc(Cl)cc2n1C
C[C@@H](CCO)C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C C[C@@H](CCO)[*:1] C[C@H]([NH2+]C[*:1])c1nc2ccc(Cl)cc2n1C
O=C1NC(=O)c2cc(NC(=O)[C@@H]3CCCO3)cc3cccc1c23 C1CO[C@@H](C1)[*:1] O=C1NC(=O)c2cc(cc3cccc1c23)NC(=O)[*:1]
CNS(=O)(=O)c1cc(NC2CCCCC2)cc(C(=O)Nc2cccc(SC)c2)c1 CNS(=O)(=O)[*:1] CSc1cccc(c1)NC(=O)c1cc(cc(c1)[*:1])NC1CCCCC1
CNS(=O)(=O)c1cc(NC2CCCCC2)cc(C(=O)Nc2cccc(SC)c2)c1 C1CCC(CC1)N[*:1] CNS(=O)(=O)c1cc(cc(c1)[*:1])C(=O)Nc1cccc(c1)SC
CNS(=O)(=O)c1cc(NC2CCCCC2)cc(C(=O)Nc2cccc(SC)c2)c1 C1CCC(CC1)[*:1] CNS(=O)(=O)c1cc(cc(c1)C(=O)Nc1cccc(c1)SC)N[*:1]
CNS(=O)(=O)c1cc(NC2CCCCC2)cc(C(=O)Nc2cccc(SC)c2)c1 CSc1cccc(c1)[*:1] CNS(=O)(=O)c1cc(cc(c1)C(=O)N[*:1])NC1CCCCC1
CC(C)[C@@H](NC(=O)C[C@H](C)n1cccc1)C(=O)N1CCOCC1 c1ccn(c1)[*:1] CC(C)[C@@H](NC(=O)C[C@H](C)[*:1])C(=O)N1CCOCC1
CC(C)[C@@H](NC(=O)C[C@H](C)n1cccc1)C(=O)N1CCOCC1 C[C@H](n1cccc1)[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)N1CCOCC1
CC(C)[C@@H](NC(=O)C[C@H](C)n1cccc1)C(=O)N1CCOCC1 CC(C)[*:1] C[C@@H](CC(=O)N[C@@H](C(=O)N1CCOCC1)[*:1])n1cccc1
C[C@@H](c1ccccc1Cl)N(C)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)NC[*:1]
C[C@@H](c1ccccc1Cl)N(C)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)N[*:1]
CCn1cc(Br)cc1C(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CCn1cc(Br)cc1C(=O)N[C@@H]1C=C[C@@H](C1)[*:1]
CCc1ccccc1OC[C@@H](CC)CS CC[C@@H](CS)[*:1] CCc1ccccc1OC[*:1]
C#CCN1CCN(C(=O)NCc2ccccc2COCCC)CC1 CCCOC[*:1] C#CCN1CCN(CC1)C(=O)NCc1ccccc1[*:1]
C#CCN1CCN(C(=O)NCc2ccccc2COCCC)CC1 CCC[*:1] C#CCN1CCN(CC1)C(=O)NCc1ccccc1CO[*:1]
C#CCN1CCN(C(=O)NCc2ccccc2COCCC)CC1 C#CC[*:1] CCCOCc1ccccc1CNC(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)NCc2ccccc2COCCC)CC1 CCCO[*:1] C#CCN1CCN(CC1)C(=O)NCc1ccccc1C[*:1]
O=C(/C=C/c1ccco1)Nc1ncc(Cc2ccccc2)s1 C(=C[*:1])c1ccco1 O=C(Nc1ncc(Cc2ccccc2)s1)[*:1]
O=C(/C=C/c1ccco1)Nc1ncc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccco1)Nc1ncc(C[*:1])s1
O=C(/C=C/c1ccco1)Nc1ncc(Cc2ccccc2)s1 c1coc(c1)[*:1] O=C(C=C[*:1])Nc1ncc(Cc2ccccc2)s1
O=C(/C=C/c1ccco1)Nc1ncc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] O=C(/C=C/c1ccco1)Nc1ncc(s1)[*:1]
C[NH+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] C[NH+](CC(=O)NC(=O)Nc1ccc2OCCOc2c1)CC(=O)N[*:1]
C[NH+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1c(Cl)cccc1Cl c1cc2OCCOc2cc1[*:1] C[NH+](CC(=O)NC(=O)N[*:1])CC(=O)Nc1c(Cl)cccc1Cl
CC[C@H](Cc1ccccc1)NC(=O)NCCc1nc(C)no1 Cc1noc(C[*:1])n1 CC[C@H](Cc1ccccc1)NC(=O)NC[*:1]
CC[C@H](Cc1ccccc1)NC(=O)NCCc1nc(C)no1 c1ccc(cc1)C[*:1] CC[C@H](NC(=O)NCCc1nc(C)no1)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)NCCc1nc(C)no1 Cc1noc(n1)[*:1] CC[C@H](Cc1ccccc1)NC(=O)NCC[*:1]
CC[C@H](Cc1ccccc1)NC(=O)NCCc1nc(C)no1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)NCCc1nc(C)no1
CSCc1ccnc(NC[C@H](O)c2ccc3ccccc3c2)c1 CSC[*:1] O[C@@H](CNc1cc(ccn1)[*:1])c1ccc2ccccc2c1
COc1cc(C#N)ccc1OCc1nnc(-c2cccs2)o1 c1csc(c1)[*:1] COc1cc(C#N)ccc1OCc1nnc(o1)[*:1]
COc1cccc(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3C)c2=O)c1 COc1cccc(c1)C[*:1] Cc1ccccc1Cn1ccc(=O)n(CC(=O)N[*:1])c1=O
COc1cccc(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3C)c2=O)c1 Cc1ccccc1[*:1] COc1cccc(c1)CNC(=O)Cn1c(=O)ccn(C[*:1])c1=O
COc1cccc(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3C)c2=O)c1 COc1cccc(c1)[*:1] Cc1ccccc1Cn1ccc(=O)n(CC(=O)NC[*:1])c1=O
COc1cccc(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3C)c2=O)c1 Cc1ccccc1C[*:1] COc1cccc(c1)CNC(=O)Cn1c(=O)ccn(c1=O)[*:1]
CC(C)(NC(=O)CCN1C(=O)CCc2ccccc21)c1nccs1 CC(C)(c1nccs1)[*:1] O=C(CCN1C(=O)CCc2ccccc21)N[*:1]
CC(C)(NC(=O)CCN1C(=O)CCc2ccccc21)c1nccs1 c1csc(n1)[*:1] CC(C)(NC(=O)CCN1C(=O)CCc2ccccc21)[*:1]
COCCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1Br COCC[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)N(CC(C)C)[*:1]
COCCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1Br CC(C)C[*:1] COCCN(S(=O)(=O)c1ccc(C)cc1Br)[*:1]
COCCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1Br CC(C)[*:1] COCCN(C[*:1])S(=O)(=O)c1ccc(C)cc1Br
COCCN(CC(C)C)S(=O)(=O)c1ccc(C)cc1Br COC[*:1] Cc1ccc(c(Br)c1)S(=O)(=O)N(CC(C)C)C[*:1]
COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2C)cc1Br COc1ccc(cc1Br)[*:1] Cc1ccccc1-n1nc(C)c2c1NC(=O)CS[C@@H]2[*:1]
COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2C)cc1Br Cc1ccccc1[*:1] COc1ccc(cc1Br)[C@H]1SCC(=O)Nc2c1c(C)nn2[*:1]
CCCCN(C(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] CCCCN(C(=O)N[C@@H](c1ccc(C)cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[C@@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)[*:1] CCCCN(C(=O)N[C@@H](C1CC1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1ccc(cc1)[C@H](NC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1)C1CC1
CCCCN(C(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] Cc1ccc(cc1)[C@H](NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1])C1CC1
CCCCN(C(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCCN(C(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[*:1]
CS(=O)(=O)N1CCCN(CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCCN(CCO[*:1])CC1
CCOC(OCC)[C@H]([NH3+])CC(C)C CC(C)C[*:1] CCOC(OCC)[C@H]([NH3+])[*:1]
CCOC(OCC)[C@H]([NH3+])CC(C)C CCO[*:1] CCOC([C@H]([NH3+])CC(C)C)[*:1]
CCOC(OCC)[C@H]([NH3+])CC(C)C CC(C)[*:1] CCOC(OCC)[C@H]([NH3+])C[*:1]
CCOCC(=O)N1CCC(c2nnc(C3CC3)o2)CC1 CCO[*:1] O=C(C[*:1])N1CCC(CC1)c1nnc(o1)C1CC1
CCOCC(=O)N1CCC(c2nnc(C3CC3)o2)CC1 C1CC1[*:1] CCOCC(=O)N1CCC(CC1)c1nnc(o1)[*:1]
CCOCC(=O)N1CCC(c2nnc(C3CC3)o2)CC1 CCOC[*:1] O=C(N1CCC(CC1)c1nnc(o1)C1CC1)[*:1]
CCOC(=O)Cn1nc(C)c2c(CCl)cc(=O)[nH]c21 CCOC(=O)[*:1] Cc1nn(C[*:1])c2[nH]c(=O)cc(CCl)c12
CCOC(=O)Cn1nc(C)c2c(CCl)cc(=O)[nH]c21 CCOC(=O)C[*:1] Cc1nn(c2[nH]c(=O)cc(CCl)c12)[*:1]
Cn1nc(C(C)(C)C)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 CC(C)(C)[*:1] Cn1nc(cc1C(=O)Nc1cccc(c1)-c1nnn[n-]1)[*:1]
COCCn1ccc2ccc(NC(=O)Cc3ccc(F)cc3F)cc21 COC[*:1] O=C(Cc1ccc(F)cc1F)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)Cc3ccc(F)cc3F)cc21 Fc1ccc(c(F)c1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)C[*:1]
COCCn1ccc2ccc(NC(=O)Cc3ccc(F)cc3F)cc21 COCC[*:1] O=C(Cc1ccc(F)cc1F)Nc1ccc2ccn(c2c1)[*:1]
Cc1nc(NC(=O)c2ccc(F)cc2)sc1-c1nccn1C Fc1ccc(cc1)[*:1] Cc1nc(NC(=O)[*:1])sc1-c1nccn1C
Cc1nc(NC(=O)c2ccc(F)cc2)sc1-c1nccn1C Cn1ccnc1[*:1] Cc1nc(NC(=O)c2ccc(F)cc2)sc1[*:1]
Cc1ccccc1OCC(=O)Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1 Cc1ccccc1OC[*:1] O=C(Nc1ccc(cc1)OCc1cc(=O)n2ccsc2n1)[*:1]
Cc1ccccc1OCC(=O)Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1 Cc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc(cc1)OCc1cc(=O)n2ccsc2n1
Cc1ccccc1OCC(=O)Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1 Cc1ccccc1O[*:1] O=C(C[*:1])Nc1ccc(cc1)OCc1cc(=O)n2ccsc2n1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC1CCC1 CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])C(=O)OC1CCC1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC1CCC1 C1CC(C1)[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[*:1]
CC[C@@H](C)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] CC[C@@H](C)C(=O)N1CCC(CC1)O[*:1]
CC[C@@H](C)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] CC[C@@H](C)C(=O)N1CCC(CC1)OC[*:1]
CC[C@@H](C)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 CC[C@@H](C)[*:1] O=C(N1CCC(CC1)OC[C@H]1CCCO1)[*:1]
C=C[C@@H]1CC=C[C@@H]1C/C(C)=N/NS(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] C=C[C@@H]1CC=C[C@@H]1C/C(C)=N/NS(=O)(=O)[*:1]
Cc1cc(Cl)ccc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C Cc1cc(Cl)ccc1[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN[*:1]
CC(C)[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 Fc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)N[*:1])c1ccc2OCCCOc2c1
CC(C)[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 CC(C)[*:1] O=C(Nc1ccc(F)cc1)N[C@H](c1ccc2OCCCOc2c1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCN(CC)S(=O)(=O)c1ccc(OC)c(c1)[*:1]
CC[C@H](CNC(=O)c1cccc(C#N)c1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@H](CNC(=O)c1cccc(C#N)c1)O[*:1]
Cc1cccc(C)c1C(=O)NCc1ccnc(OCC(F)(F)F)c1 Cc1cccc(C)c1[*:1] O=C(NCc1ccnc(c1)OCC(F)(F)F)[*:1]
Cc1cccc(C)c1C(=O)NCc1ccnc(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] Cc1cccc(C)c1C(=O)NCc1ccnc(c1)[*:1]
Cc1cccc(C)c1C(=O)NCc1ccnc(OCC(F)(F)F)c1 FC(F)(F)[*:1] Cc1cccc(C)c1C(=O)NCc1ccnc(c1)OC[*:1]
Cc1cccc(C)c1C(=O)NCc1ccnc(OCC(F)(F)F)c1 FC(F)(F)C[*:1] Cc1cccc(C)c1C(=O)NCc1ccnc(c1)O[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@H]12 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@H]12)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@H]12 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@H]12
CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@H]12 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@H]12)C[*:1]
CCO[C@H]1C[C@H]1C(=O)Nc1ccc(NC(C)=O)c(OC)c1 CCO[*:1] COc1cc(ccc1NC(C)=O)NC(=O)[C@@H]1C[C@@H]1[*:1]
CCO[C@H]1C[C@H]1C(=O)Nc1ccc(NC(C)=O)c(OC)c1 CC(=O)N[*:1] CCO[C@H]1C[C@H]1C(=O)Nc1ccc(c(c1)OC)[*:1]
CC(C)(CNC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N[C@@H]1CCN(C1=O)c1ccccc1F)[*:1]
CC(C)(CNC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NC[*:1])N[C@@H]1CCN(C1=O)c1ccccc1F
CC(C)(CNC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccncc1 Fc1ccccc1[*:1] CC(C)(CNC(=O)N[C@@H]1CCN(C1=O)[*:1])c1ccncc1
S=C(NCC[NH+]1CCCC1)NCc1ccccc1 c1ccc(cc1)[*:1] S=C(NCC[NH+]1CCCC1)NC[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 Fc1ccc(cc1)[*:1] Cc1nn(c(Cl)c1/C=C(\C#N)C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cccc(c1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)N[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccc2c(c1)CCC2 Fc1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])Nc1ccc2CCCc2c1
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N[*:1]
C[C@H]([NH2+]Cc1ccc(C(N)=O)o1)c1cc(Br)ccc1F NC(=O)[*:1] C[C@H]([NH2+]Cc1ccc(o1)[*:1])c1cc(Br)ccc1F
CC(C)C[NH+](C)Cc1cccc(C(N)=O)c1 NC(=O)[*:1] CC(C)C[NH+](C)Cc1cccc(c1)[*:1]
CC(C)C[NH+](C)Cc1cccc(C(N)=O)c1 CC(C)[*:1] C[NH+](Cc1cccc(c1)C(N)=O)C[*:1]
CC(C)C[NH+](C)Cc1cccc(C(N)=O)c1 CC(C)C[*:1] C[NH+](Cc1cccc(c1)C(N)=O)[*:1]
CNC(=O)Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC=CC[C@@H]3C2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])C(=O)N1C[C@H]2CC=CC[C@@H]2C1
CNC(=O)Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC=CC[C@@H]3C2)cc1 CNC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1C[C@H]2CC=CC[C@@H]2C1
Cc1cc(Cl)ccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N2C1 Cc1cc(Cl)ccc1[*:1] CC(C)C[C@H]1NC(=O)[C@@H]2C[C@@H](CN2C1=O)NC(=O)N[*:1]
Cc1cc(Cl)ccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N2C1 CC(C)C[*:1] Cc1cc(Cl)ccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](C(=O)N2C1)[*:1]
Cc1cc(Cl)ccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N2C1 CC(C)[*:1] Cc1cc(Cl)ccc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](C[*:1])C(=O)N2C1
Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(OCc2ccccc2C)CC1 Cc1ccccc1[*:1] Cc1nc2[C@@H](CCCn2n1)NC(=O)N1CCC(CC1)OC[*:1]
Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(OCc2ccccc2C)CC1 Cc1ccccc1C[*:1] Cc1nc2[C@@H](CCCn2n1)NC(=O)N1CCC(CC1)O[*:1]
Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(OCc2ccccc2C)CC1 Cc1ccccc1CO[*:1] Cc1nc2[C@@H](CCCn2n1)NC(=O)N1CCC(CC1)[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc4c(c3)COC4)cc2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Nc1ccc2COCc2c1)c1ccc(cc1)O[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc4c(c3)COC4)cc2)cc1 CC(=O)[*:1] O=C(Nc1ccc2COCc2c1)c1ccc(cc1)Oc1ccc(cc1)[*:1]
CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc4c(c3)COC4)cc2)cc1 c1cc2COCc2cc1[*:1] CC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)N[*:1]
C=CCN(Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 Cc1ccc(s1)[*:1] C=CCN(C[*:1])[C@H]1CCS(=O)(=O)C1
C=CCN(Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 C=CC[*:1] Cc1ccc(CN([C@H]2CCS(=O)(=O)C2)[*:1])s1
CC(NCCCN(C)c1ccccc1)=C1C(=O)NC(=S)NC1=O c1ccc(cc1)[*:1] CC(NCCCN(C)[*:1])=C1C(=O)NC(=S)NC1=O
O=C(NC[C@H](O)COCC1CC1)c1cccc(Br)c1 C1CC1[*:1] O=C(NC[C@H](O)COC[*:1])c1cccc(Br)c1
O=C(NC[C@H](O)COCC1CC1)c1cccc(Br)c1 C1CC1C[*:1] O=C(NC[C@H](O)CO[*:1])c1cccc(Br)c1
O=C(NC[C@H](O)COCC1CC1)c1cccc(Br)c1 C1CC1COC[*:1] O=C(NC[C@H](O)[*:1])c1cccc(Br)c1
O=C(NC[C@H](O)COCC1CC1)c1cccc(Br)c1 C1CC1CO[*:1] O=C(NC[C@H](O)C[*:1])c1cccc(Br)c1
CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccco1 Clc1ccc(cc1)[*:1] CCn1c(nnc1-c1ccco1)SCC(=O)N[C@H](C)[*:1]
CCn1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N[C@H](C)c1ccc(Cl)cc1
NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCSCC2)c1 NS(=O)(=O)[*:1] O=C(c1cc(ccc1Cl)[*:1])N1CCSCC1
O=C(c1ccc(F)cc1Cl)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(c1ccc(F)cc1Cl)N1C[C@H](O)C[C@@H]1[*:1]
O=C(c1ccc(F)cc1Cl)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F Fc1ccc(c(Cl)c1)[*:1] O=C(N1C[C@H](O)C[C@H]1c1cc(F)ccc1F)[*:1]
CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(SCCC#N)ncnc4c23)CO1 N#CC[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)SC[*:1])N1CCOCC1
CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(SCCC#N)ncnc4c23)CO1 N#CCCS[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)[*:1])N1CCOCC1
CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(SCCC#N)ncnc4c23)CO1 C1CN(CCO1)[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)SCCC#N)[*:1]
CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(SCCC#N)ncnc4c23)CO1 N#CCC[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)S[*:1])N1CCOCC1
O=C(NC1(c2nc(-c3ccsc3)no2)CCCCC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1cc(cs1)-c1noc(n1)[*:1] O=C(NC1(CCCCC1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NC1(c2nc(-c3ccsc3)no2)CCCCC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1cc(cs1)[*:1] O=C(NC1(CCCCC1)c1nc(no1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NC1(c2nc(-c3ccsc3)no2)CCCCC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC1(CCCCC1)c1nc(no1)-c1ccsc1)[C@H]1CC(=O)N(C1)[*:1]
CS[C@H]1CC[C@H](NC(=O)CN(Cc2cccnc2)c2ccccc2)C1 c1cncc(c1)C[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)CN(c1ccccc1)[*:1]
CS[C@H]1CC[C@H](NC(=O)CN(Cc2cccnc2)c2ccccc2)C1 c1ccc(cc1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)CN(Cc1cccnc1)[*:1]
CS[C@H]1CC[C@H](NC(=O)CN(Cc2cccnc2)c2ccccc2)C1 c1cncc(c1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)CN(C[*:1])c1ccccc1
CCC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1nc(C)c(C)s1 CC(C)[*:1] CCC[C@H]1C[NH2+][C@H](CN1Cc1nc(C)c(C)s1)[*:1]
CCC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1nc(C)c(C)s1 CCC[*:1] Cc1nc(CN2C[C@H]([NH2+]C[C@@H]2[*:1])C(C)C)sc1C
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)COC2)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc2COCc2c1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)COC2)c1cccc(-n2cccn2)c1 c1cc2COCc2cc1[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1cccc(c1)-n1cccn1
Cc1c(OCC(F)(F)F)cc(N)cc1S(N)(=O)=O FC(F)(F)CO[*:1] Cc1c(cc(N)cc1[*:1])S(N)(=O)=O
Cc1c(OCC(F)(F)F)cc(N)cc1S(N)(=O)=O FC(F)(F)C[*:1] Cc1c(cc(N)cc1S(N)(=O)=O)O[*:1]
Cc1c(OCC(F)(F)F)cc(N)cc1S(N)(=O)=O FC(F)(F)[*:1] Cc1c(cc(N)cc1S(N)(=O)=O)OC[*:1]
Cc1c(OCC(F)(F)F)cc(N)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1c(cc(N)cc1[*:1])OCC(F)(F)F
CCc1cnc(CCNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)s1 C[C@H]1CN(C[C@@H](C)O1)[*:1] CCc1cnc(CCNC(=O)[C@@H](C(C)C)[*:1])s1
CCc1cnc(CCNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)s1 CC(C)[*:1] CCc1cnc(CCNC(=O)[C@@H](N2C[C@H](C)O[C@H](C)C2)[*:1])s1
CCc1cnc(CCNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)s1 CCc1cnc(s1)[*:1] CC(C)[C@H](C(=O)NCC[*:1])N1C[C@H](C)O[C@H](C)C1
CCc1cnc(CCNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)s1 CCc1cnc(C[*:1])s1 CC(C)[C@H](C(=O)NC[*:1])N1C[C@H](C)O[C@H](C)C1
Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C Cc1noc(C)c1[*:1] CC(C)[C@@H](NC(=O)[C@@H](C)[*:1])C(=O)N1CCOCC1
Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C CC(C)[*:1] Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](C(=O)N1CCOCC1)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C O=C(N1CCOCC1)[*:1] Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](C(C)C)[*:1]
COc1ccccc1S(=O)(=O)Cc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] COc1ccccc1S(=O)(=O)Cc1cc(on1)[*:1]
O=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] O=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(cc1)[*:1]
O=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] O=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(cc1)S[*:1]
C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(-n2cncn2)cc1 Clc1ccc(c(Br)c1)[*:1] C[C@@H](NC(=O)CO[*:1])c1ccc(cc1)-n1cncn1
COc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)CC[C@@H](C)NC(=O)C(=O)N[*:1]
COc1ccc(CC[C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)cc1 COc1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)C(=O)Nc1ccc(Cl)cc1Cl
COC(=O)CCN1C[C@H](C)[C@@H](C(=O)OC)C1 COC(=O)[*:1] COC(=O)CCN1C[C@H](C)[C@@H](C1)[*:1]
COC(=O)CCN1C[C@H](C)[C@@H](C(=O)OC)C1 COC(=O)C[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)C[*:1]
COC(=O)CCN1C[C@H](C)[C@@H](C(=O)OC)C1 COC(=O)[*:1] COC(=O)[C@H]1CN(CC[*:1])C[C@@H]1C
CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(c2ccccc2)C1 Clc1ccc(cc1Cl)[*:1] CN(C(=O)[*:1])[C@@H]1CCCN(C1)c1ccccc1
CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(C1)[*:1]
COc1ccc(C(=O)N(C)[C@@H](C)c2cccnc2)nn1 c1cncc(c1)[*:1] COc1ccc(nn1)C(=O)N(C)[C@@H](C)[*:1]
Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cn1c(CNC(=O)c2ccc3OCOc3c2)nnc1SCC(=O)[*:1]
Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccc(Br)cc1 O=C(c1ccc(Br)cc1)[*:1] Cn1c(CNC(=O)c2ccc3OCOc3c2)nnc1SC[*:1]
Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccc(Br)cc1 O=C(C[*:1])c1ccc(Br)cc1 Cn1c(CNC(=O)c2ccc3OCOc3c2)nnc1S[*:1]
Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccc(Br)cc1 c1cc2OCOc2cc1[*:1] Cn1c(CNC(=O)[*:1])nnc1SCC(=O)c1ccc(Br)cc1
Cc1cccc(NC(=O)C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 Cc1cccc(c1)[*:1] O=C(NCC12CC3CC(CC(C3)C1)C2)C(=O)N[*:1]
CCOC(=O)c1[nH]ncc1CN1CCO[C@@H](c2cccc(O)c2)C1 CCOC(=O)[*:1] Oc1cccc(c1)[C@H]1CN(CCO1)Cc1cn[nH]c1[*:1]
CCOC(=O)c1[nH]ncc1CN1CCO[C@@H](c2cccc(O)c2)C1 Oc1cccc(c1)[*:1] CCOC(=O)c1[nH]ncc1CN1CCO[C@@H](C1)[*:1]
Cc1nc(-c2cccc(NCc3ccc([S@](C)=O)cc3)c2)oc1C Cc1nc(oc1C)[*:1] C[S@](=O)c1ccc(cc1)CNc1cccc(c1)[*:1]
O=C(NCCc1ccccc1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 c1ccc(cc1)[*:1] O=C(NCCc1ccccc1)c1cccc(c1)Oc1cc(ncn1)[*:1]
O=C(NCCc1ccccc1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1cccc(c1)Oc1cc(ncn1)-c1ccccc1
O=C(NCCc1ccccc1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1cccc(c1)Oc1cc(ncn1)-c1ccccc1
O=C(NCCc1ccccc1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 c1ccc(cc1)CC[*:1] O=C(N[*:1])c1cccc(c1)Oc1cc(ncn1)-c1ccccc1
Cc1ccnc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] Cc1ccnc(c1)NC(=O)c1ccc(cc1)[*:1]
CC(C)c1nc(CCNC(=O)c2ccc3c(c2)C(=O)NC3=O)cs1 CC(C)c1nc(cs1)[*:1] O=C(NCC[*:1])c1ccc2C(=O)NC(=O)c2c1
CC(C)c1nc(CCNC(=O)c2ccc3c(c2)C(=O)NC3=O)cs1 CC(C)[*:1] O=C(NCCc1csc(n1)[*:1])c1ccc2C(=O)NC(=O)c2c1
CC[C@@](C)(NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)C(=O)OC CC[C@@](C)(C(=O)OC)[*:1] C[C@@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)N[*:1]
CC[C@@](C)(NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)C(=O)OC COC(=O)[*:1] CC[C@@](C)(NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)[*:1]
CC(C)CCOc1ccc(NC(=O)Nc2cccc(-c3nnco3)c2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)OCC[*:1])Nc1cccc(c1)-c1nnco1
CC(C)CCOc1ccc(NC(=O)Nc2cccc(-c3nnco3)c2)cc1 CC(C)CCO[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1cccc(c1)-c1nnco1
CC(C)CCOc1ccc(NC(=O)Nc2cccc(-c3nnco3)c2)cc1 CC(C)CC[*:1] O=C(Nc1ccc(cc1)O[*:1])Nc1cccc(c1)-c1nnco1
CC(C)CCOc1ccc(NC(=O)Nc2cccc(-c3nnco3)c2)cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)OC[*:1])Nc1cccc(c1)-c1nnco1
CC(C)CCOc1ccc(NC(=O)Nc2cccc(-c3nnco3)c2)cc1 c1nnc(o1)[*:1] CC(C)CCOc1ccc(cc1)NC(=O)Nc1cccc(c1)[*:1]
Cc1cc(-c2ocnc2C[NH2+]C(C)(C)C)c(C)o1 CC(C)(C)[*:1] Cc1cc(c(C)o1)-c1ocnc1C[NH2+][*:1]
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 COc1ccccc1[*:1] O=C(Cc1ccc(Cl)cc1)Nc1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccccc1NS(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] COc1ccccc1NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCN(C(C)C)C4)cc1 COc1ccc(cc1)[*:1] CC(C)N1CCc2c(C1)sc1[nH]c(=S)n(c(=O)c21)[*:1]
COc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCN(C(C)C)C4)cc1 CC(C)[*:1] COc1ccc(cc1)-n1c(=S)[nH]c2sc3CN(CCc3c2c1=O)[*:1]
CC(C)(CNC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)N1CCOCC1 c1csc(c1)[*:1] CC(C)(CNC(=O)N[C@H](c1ccc(F)cc1)[*:1])N1CCOCC1
CC(C)(CNC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)N1CCOCC1 CC(C)(N1CCOCC1)[*:1] O=C(NC[*:1])N[C@H](c1ccc(F)cc1)c1cccs1
CC(C)(CNC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)[*:1]
CC(C)(CNC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)N1CCOCC1 Fc1ccc(cc1)[*:1] CC(C)(CNC(=O)N[C@H](c1cccs1)[*:1])N1CCOCC1
CCc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)-c1ccc(nn1)SCC(=O)NC[*:1]
CCc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1 c1coc(c1)C[*:1] CCc1ccc(cc1)-c1ccc(nn1)SCC(=O)N[*:1]
CCc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1 CCc1ccc(cc1)[*:1] O=C(CSc1ccc(nn1)[*:1])NCc1ccco1
Cn1nnnc1SCC(=O)OCc1nc(Cl)ccc1Cl Cn1nnnc1[*:1] O=C(CS[*:1])OCc1nc(Cl)ccc1Cl
O=C(c1sc2cc(F)ccc2c1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 c1cc2OCCOc2cc1[*:1] O=C(c1sc2cc(F)ccc2c1Cl)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccccc1CC(=O)N1CCCCC[C@H]1C[C@H](C)O C[C@H](O)C[*:1] Cc1ccccc1CC(=O)N1CCCCC[C@@H]1[*:1]
Cc1ccccc1CC(=O)N1CCCCC[C@H]1C[C@H](C)O C[C@H](O)[*:1] Cc1ccccc1CC(=O)N1CCCCC[C@H]1C[*:1]
Cc1ccccc1CC(=O)N1CCCCC[C@H]1C[C@H](C)O Cc1ccccc1[*:1] C[C@H](O)C[C@@H]1CCCCCN1C(=O)C[*:1]
COc1cccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)ccc2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H](C)n1nc(ccc1=O)[*:1]
COc1cccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)ccc2=O)c1 COc1cccc(c1)[*:1] C[C@H](C(=O)N[*:1])n1nc(ccc1=O)-c1ccccc1
Cc1cccc(NC(=O)NC(=O)c2ccc3ccccc3c2)c1 Cc1cccc(c1)[*:1] O=C(NC(=O)c1ccc2ccccc2c1)N[*:1]
Cc1nc([C@@H]2CCCN2C(=O)C[C@H]2CCc3ccccc32)no1 Cc1nc(no1)[*:1] O=C(C[C@H]1CCc2ccccc21)N1CCC[C@H]1[*:1]
COC[C@]1(C)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O COC[*:1] C[C@@]1(NC(=O)N(Cc2cc(on2)-c2ccccc2)C1=O)[*:1]
COC[C@]1(C)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O c1ccc(cc1)[*:1] COC[C@]1(C)NC(=O)N(Cc2cc(on2)[*:1])C1=O
COc1ccccc1[C@@H](C)N(C)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@@H](C)N(C)C(=O)N[C@H](CN1CCCC1=O)[*:1]
COc1ccccc1[C@@H](C)N(C)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 COc1ccccc1[*:1] C[C@@H](N(C)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1)[*:1]
COc1ccccc1[C@@H](C)N(C)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1C[*:1] COc1ccccc1[C@@H](C)N(C)C(=O)N[C@H](c1ccccc1)[*:1]
COc1ccccc1[C@@H](C)N(C)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1[*:1] COc1ccccc1[C@@H](C)N(C)C(=O)N[C@H](C[*:1])c1ccccc1
COc1ccccc1N1C[C@@H](C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)CC1=O COc1ccccc1[*:1] O=C(OCc1cc(F)cc2CO[C@H](Oc12)c1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
COc1ccccc1N1C[C@@H](C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)CC1=O c1ccc(cc1)[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)OCc1cc(F)cc2CO[C@@H](Oc12)[*:1]
COc1cc(C)c(C[NH2+][C@@H](C)c2csc(C(C)C)n2)cc1OC CC(C)[*:1] COc1cc(C)c(cc1OC)C[NH2+][C@@H](C)c1csc(n1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(C)n(c1C)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c(C)n1C(C)C
Cc1ccccc1N1C(=O)C2=CN=NC2=N[C@@H]1SCC(=O)c1ccc(Cl)cc1 Cc1ccccc1[*:1] O=C(CS[C@H]1N=C2N=NC=C2C(=O)N1[*:1])c1ccc(Cl)cc1
Cc1ccccc1N1C(=O)C2=CN=NC2=N[C@@H]1SCC(=O)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] Cc1ccccc1N1C(=O)C2=CN=NC2=N[C@@H]1SC[*:1]
Cc1ccccc1N1C(=O)C2=CN=NC2=N[C@@H]1SCC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1N1C(=O)C2=CN=NC2=N[C@@H]1SCC(=O)[*:1]
C[C@@H](NC(N)=O)C(=O)Nc1ccc2c(c1)OCCCO2 C[C@@H](NC(N)=O)[*:1] O=C(Nc1ccc2OCCCOc2c1)[*:1]
C[C@@H](NC(N)=O)C(=O)Nc1ccc2c(c1)OCCCO2 NC(=O)N[*:1] C[C@@H](C(=O)Nc1ccc2OCCCOc2c1)[*:1]
N#Cc1ccc(C(=O)OCc2nnnn2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] N#Cc1ccc(cc1)C(=O)OCc1nnnn1[*:1]
N#Cc1ccc(C(=O)OCc2nnnn2Cc2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(OCc1nnnn1Cc1ccccc1)[*:1]
N#Cc1ccc(C(=O)OCc2nnnn2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)C(=O)OCc1nnnn1C[*:1]
C[C@@H](Sc1nncs1)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 c1nnc(s1)[*:1] C[C@@H](S[*:1])C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
C[C@@H](Sc1nncs1)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@@H](Sc1nncs1)C(=O)N1CCN(CCO[*:1])CC1
C[C@@H](Sc1nncs1)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 c1nnc(S[*:1])s1 C[C@@H](C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)[*:1]
C[C@@H](Sc1nncs1)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)O[*:1] C[C@@H](Sc1nncs1)C(=O)N1CCN(CC1)CC[*:1]
COc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 COc1cccc(c1)[*:1] O=C(c1ccc(F)cc1)N1CCC[C@@H](C1)c1cccc(n1)[*:1]
COc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)-c1cccc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
CCCNC(=O)c1cnc2sc(C)c(C)n2c1=O CCCNC(=O)[*:1] Cc1sc2ncc(c(=O)n2c1C)[*:1]
CCCNC(=O)c1cnc2sc(C)c(C)n2c1=O CCC[*:1] Cc1sc2ncc(C(=O)N[*:1])c(=O)n2c1C
C[C@H](Cc1ccco1)[NH2+][C@@H]1CCc2cc(N)ccc21 c1coc(c1)[*:1] C[C@H](C[*:1])[NH2+][C@@H]1CCc2cc(N)ccc21
C[C@H](Cc1ccco1)[NH2+][C@@H]1CCc2cc(N)ccc21 c1coc(c1)C[*:1] C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)[*:1]
O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cccc2cc[nH]c12 Fc1cccc(c1)[*:1] O=C(NCc1ccc(nc1)O[*:1])c1cccc2cc[nH]c12
O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cccc2cc[nH]c12 c1cc(c2[nH]ccc2c1)[*:1] O=C(NCc1ccc(nc1)Oc1cccc(F)c1)[*:1]
O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cccc2cc[nH]c12 Fc1cccc(c1)O[*:1] O=C(NCc1ccc(nc1)[*:1])c1cccc2cc[nH]c12
CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(Cl)cc3)cc(C(C)C)nc21 Clc1ccc(cc1)[*:1] CC(C)Cn1c(=O)[nH]c(=O)c2c(cc(nc21)C(C)C)C(=O)N[*:1]
CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(Cl)cc3)cc(C(C)C)nc21 CC(C)C[*:1] CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2)c2c(=O)[nH]c(=O)n(c2n1)[*:1]
CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(Cl)cc3)cc(C(C)C)nc21 CC(C)[*:1] CC(C)Cn1c(=O)[nH]c(=O)c2c(cc(nc21)[*:1])C(=O)Nc1ccc(Cl)cc1
CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(Cl)cc3)cc(C(C)C)nc21 CC(C)[*:1] CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2)c2c(=O)[nH]c(=O)n(C[*:1])c2n1
CN(C(=O)CSc1ccncc1)c1ccc2ccccc2c1 c1cc(ccn1)[*:1] CN(C(=O)CS[*:1])c1ccc2ccccc2c1
CN(C(=O)CSc1ccncc1)c1ccc2ccccc2c1 c1cc(ccn1)S[*:1] CN(C(=O)C[*:1])c1ccc2ccccc2c1
CC(=O)N[C@@H]1[C@H](Oc2ccc(C)c(C)c2)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O[C@@H](C)C(=O)[O-] CC(=O)N[*:1] Cc1ccc(cc1C)O[C@@H]1O[C@H]2COC(C)(C)O[C@@H]2[C@@H](O[C@@H](C)C(=O)[O-])[C@@H]1[*:1]
CC(=O)N[C@@H]1[C@H](Oc2ccc(C)c(C)c2)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O[C@@H](C)C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H]1[C@H](Oc2ccc(C)c(C)c2)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O[C@@H](C)[*:1]
CC(=O)N[C@@H]1[C@H](Oc2ccc(C)c(C)c2)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O[C@@H](C)C(=O)[O-] Cc1ccc(cc1C)[*:1] CC(=O)N[C@@H]1[C@@H](O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O[C@@H](C)C(=O)[O-])O[*:1]
CC(=O)N[C@@H]1[C@H](Oc2ccc(C)c(C)c2)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O[C@@H](C)C(=O)[O-] Cc1ccc(cc1C)O[*:1] CC(=O)N[C@H]1[C@H](O[C@@H](C)C(=O)[O-])[C@H]2OC(C)(C)OC[C@@H]2O[C@@H]1[*:1]
COc1cc(C(=O)OCc2ccccn2)cc(OC)c1C c1ccc(C[*:1])nc1 COc1cc(cc(OC)c1C)C(=O)O[*:1]
COc1cc(C(=O)OCc2ccccn2)cc(OC)c1C c1ccc(nc1)[*:1] COc1cc(cc(OC)c1C)C(=O)OC[*:1]
C[C@@H](CNCc1ccc(F)cc1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNCc1ccc(F)cc1)c1nc(no1)[*:1]
C[C@@H](CNCc1ccc(F)cc1)c1nc(-c2ccccc2)no1 Fc1ccc(cc1)[*:1] C[C@@H](CNC[*:1])c1nc(no1)-c1ccccc1
CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C(F)(F)F)c1)CCCC3 FC(F)(F)[*:1] CNC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1-c1cccc(c1)[*:1]
CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C(F)(F)F)c1)CCCC3 FC(F)(F)c1cccc(c1)[*:1] CNC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1[*:1]
CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C(F)(F)F)c1)CCCC3 CNC(=O)[*:1] O=c1c2c3CCCCc3sc2nc(SC[*:1])n1-c1cccc(c1)C(F)(F)F
CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C(F)(F)F)c1)CCCC3 CNC(=O)C[*:1] O=c1c2c3CCCCc3sc2nc(S[*:1])n1-c1cccc(c1)C(F)(F)F
CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C(F)(F)F)c1)CCCC3 CNC(=O)CS[*:1] O=c1c2c3CCCCc3sc2nc(n1-c1cccc(c1)C(F)(F)F)[*:1]
COc1cccc2cc([C@H](C)NC(=O)NCC(C)(C)CCO)oc12 OCC[*:1] COc1cccc2cc(oc12)[C@H](C)NC(=O)NCC(C)(C)[*:1]
COc1cccc2cc([C@H](C)NC(=O)NCC(C)(C)CCO)oc12 CC(C)(CCO)C[*:1] COc1cccc2cc(oc12)[C@H](C)NC(=O)N[*:1]
COc1cccc2cc([C@H](C)NC(=O)NCC(C)(C)CCO)oc12 CC(C)(CCO)[*:1] COc1cccc2cc(oc12)[C@H](C)NC(=O)NC[*:1]
COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 COC(=O)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NS(=O)(=O)c1c(sc2ccccc12)[*:1]
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccon3)nn1-c1cccc(Cl)c1)C2 Clc1cccc(c1)[*:1] COc1cc2Cc3c(nn(c3-c2cc1OC)[*:1])C(=O)Nc1ccon1
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccon3)nn1-c1cccc(Cl)c1)C2 c1cc(no1)[*:1] COc1cc2Cc3c(nn(-c4cccc(Cl)c4)c3-c2cc1OC)C(=O)N[*:1]
COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccon3)nn1-c1cccc(Cl)c1)C2 O=C(Nc1ccon1)[*:1] COc1cc2Cc3c(nn(-c4cccc(Cl)c4)c3-c2cc1OC)[*:1]
CCc1ccc(CCC[C@H](Cl)C2CC2)nc1 C1CC1[*:1] CCc1ccc(CCC[C@H](Cl)[*:1])nc1
CCc1ccc(CCC[C@H](Cl)C2CC2)nc1 Cl[C@H](C1CC1)[*:1] CCc1ccc(CCC[*:1])nc1
O=C1[C@@H](Sc2nnc(Cc3cccs3)o2)CCN1c1ccccc1 c1csc(c1)[*:1] O=C1[C@H](CCN1c1ccccc1)Sc1nnc(C[*:1])o1
O=C1[C@@H](Sc2nnc(Cc3cccs3)o2)CCN1c1ccccc1 c1csc(c1)C[*:1] O=C1[C@H](CCN1c1ccccc1)Sc1nnc(o1)[*:1]
O=C1[C@@H](Sc2nnc(Cc3cccs3)o2)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCN1[*:1])Sc1nnc(Cc2cccs2)o1
CC1([C@@H]([NH3+])c2ccc3oc4ccccc4c3c2)CCCC1 CC1(CCCC1)[*:1] [NH3+][C@@H](c1ccc2oc3ccccc3c2c1)[*:1]
COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(/C=C/C(=O)NNC(=O)[*:1])cc1
Cc1cnc2nc(CCCCCl)[nH]c2c1 ClCC[*:1] Cc1cnc2nc(CC[*:1])[nH]c2c1
Cc1cnc2nc(CCCCCl)[nH]c2c1 ClCCCC[*:1] Cc1cnc2nc([nH]c2c1)[*:1]
Cc1cnc2nc(CCCCCl)[nH]c2c1 ClCCC[*:1] Cc1cnc2nc(C[*:1])[nH]c2c1
NC(=O)OC[C@@H](O)COc1ccc(Cl)cc1 NC(=O)OC[*:1] O[C@@H](COc1ccc(Cl)cc1)[*:1]
NC(=O)OC[C@@H](O)COc1ccc(Cl)cc1 NC(=O)O[*:1] O[C@@H](COc1ccc(Cl)cc1)C[*:1]
Cc1nn(C)c(C)c1CNc1ccccc1CN(C)C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1nn(C)c(C)c1CNc1ccccc1CN(C)C(=O)O[*:1]
Cc1nn(C)c(C)c1CNc1ccccc1CN(C)C(=O)OC(C)(C)C Cc1nn(C)c(C)c1[*:1] CN(Cc1ccccc1NC[*:1])C(=O)OC(C)(C)C
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CC[NH+]2CCCCC2)[C@@H]1c1ccccn1 c1coc(c1)[*:1] O=C(C=C[*:1])C1=C([O-])C(=O)N(CC[NH+]2CCCCC2)[C@@H]1c1ccccn1
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CC[NH+]2CCCCC2)[C@@H]1c1ccccn1 C(=C[*:1])c1ccco1 O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccccn2)N1CC[NH+]1CCCCC1
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CC[NH+]2CCCCC2)[C@@H]1c1ccccn1 O=C(/C=C/c1ccco1)[*:1] O=C1C([O-])=C([C@@H](c2ccccn2)N1CC[NH+]1CCCCC1)[*:1]
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CC[NH+]2CCCCC2)[C@@H]1c1ccccn1 c1ccc(nc1)[*:1] O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CC[NH+]2CCCCC2)[C@H]1[*:1]
O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc(N2CCCCC2)c2ccncc12 C1CCN(CC1)[*:1] O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc(c2ccncc12)[*:1]
O=C1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccncc1 c1cc(ccn1)[*:1] O=C1CCC[C@H]1[C@@H]1CCCCN1C(=O)[*:1]
O=C1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccncc1 O=C1CCC[C@@H]1[*:1] O=C(c1ccncc1)N1CCCC[C@H]1[*:1]
Cc1ccc(NC(=O)NCC(C)(C)c2ccncc2)c(OC[C@@H]2CCCO2)c1 c1cc(ccn1)[*:1] Cc1ccc(NC(=O)NCC(C)(C)[*:1])c(c1)OC[C@@H]1CCCO1
Cc1ccc(NC(=O)NCC(C)(C)c2ccncc2)c(OC[C@@H]2CCCO2)c1 CC(C)(c1ccncc1)[*:1] Cc1ccc(NC(=O)NC[*:1])c(c1)OC[C@@H]1CCCO1
Cc1ccc(NC(=O)NCC(C)(C)c2ccncc2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] Cc1ccc(NC(=O)NCC(C)(C)c2ccncc2)c(c1)[*:1]
Cc1cccc(NC(=O)[C@H](C)Sc2nc(N)c(C#N)cc2C#N)c1C Cc1cccc(c1C)[*:1] C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N[*:1]
CCc1cc(C)c(C(=O)N(C)CCCS(C)(=O)=O)o1 CS(=O)(=O)[*:1] CCc1cc(C)c(o1)C(=O)N(C)CCC[*:1]
CCc1cc(C)c(C(=O)N(C)CCCS(C)(=O)=O)o1 CS(=O)(=O)C[*:1] CCc1cc(C)c(o1)C(=O)N(C)CC[*:1]
CCc1cc(C)c(C(=O)N(C)CCCS(C)(=O)=O)o1 CS(=O)(=O)CC[*:1] CCc1cc(C)c(o1)C(=O)N(C)C[*:1]
CCC[C@@H]([NH3+])[C@@H]1CCO[C@]2(CCOC2)C1 CCC[*:1] [NH3+][C@@H]([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
CCC[C@@H]([NH3+])[C@@H]1CCO[C@]2(CCOC2)C1 CCC[C@@H]([NH3+])[*:1] C1C[C@]2(CO1)C[C@@H](CCO2)[*:1]
C[C@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](C)n1cccn1 c1cnn(c1)[*:1] C[C@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](C)[*:1]
CC(C)(C)COC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)(C)COC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CC(C)(C)COC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 CC(C)(C)[*:1] O=C(OC[*:1])[C@@H]1CC(=O)N(Cc2ccccn2)C1
CC(C)(C)COC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 CC(C)(C)COC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)(C)COC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 CC(C)(C)C[*:1] O=C(O[*:1])[C@@H]1CC(=O)N(Cc2ccccn2)C1
C#CCNC(=O)C[NH+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 C#CCNC(=O)[*:1] Cc1cc(cnc1N1CCC[NH+](CC1)C[*:1])[N+](=O)[O-]
C#CCNC(=O)C[NH+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 C#CC[*:1] Cc1cc(cnc1N1CCC[NH+](CC1)CC(=O)N[*:1])[N+](=O)[O-]
C#CCNC(=O)C[NH+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 O=[N+]([O-])[*:1] C#CCNC(=O)C[NH+]1CCCN(CC1)c1ncc(cc1C)[*:1]
C#CCNC(=O)C[NH+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 C#CCNC(=O)C[*:1] Cc1cc(cnc1N1CCC[NH+](CC1)[*:1])[N+](=O)[O-]
O=C(CSc1ccc(F)cc1F)N1CCN(c2ccccc2F)CC1 Fc1ccc(c(F)c1)[*:1] O=C(CS[*:1])N1CCN(CC1)c1ccccc1F
O=C(CSc1ccc(F)cc1F)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CSc1ccc(F)cc1F)N1CCN(CC1)[*:1]
Cc1cccc(Cl)c1NC(=O)CCCNC(=O)c1ccco1 c1coc(c1)[*:1] Cc1cccc(Cl)c1NC(=O)CCCNC(=O)[*:1]
Cc1ccc(C(N)=O)c(O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 NC(=O)[*:1] Cc1ccc(c(c1)O[C@H](C)c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc(C(N)=O)c(O[C@H](C)c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1ccc(C(N)=O)c(c1)O[C@H](C)c1cccc(c1)[*:1]
NC(=O)[C@H]1CC(C(=O)Nc2ccc(Cl)c(F)c2)=NN1c1ccc(F)cc1 Fc1cc(ccc1Cl)[*:1] NC(=O)[C@H]1CC(=NN1c1ccc(F)cc1)C(=O)N[*:1]
NC(=O)[C@H]1CC(C(=O)Nc2ccc(Cl)c(F)c2)=NN1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@H]1CC(=NN1[*:1])C(=O)Nc1ccc(Cl)c(F)c1
NC(=O)[C@H]1CC(C(=O)Nc2ccc(Cl)c(F)c2)=NN1c1ccc(F)cc1 NC(=O)[*:1] O=C(Nc1ccc(Cl)c(F)c1)C1C[C@@H](N(N=1)c1ccc(F)cc1)[*:1]
Cc1cc(C)nc([C@@H](C#N)C(=O)[C@H](C)Cc2cccs2)n1 c1csc(c1)[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)[C@H](C)C[*:1]
Cc1cc(C)nc([C@@H](C#N)C(=O)[C@H](C)Cc2cccs2)n1 c1csc(c1)C[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)[C@H](C)[*:1]
CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1nc(-c2ccccc2)c[nH]1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1nc(c[nH]1)[*:1]
CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1nc(-c2ccccc2)c[nH]1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)[C@H](C)O[*:1])c1nc(c[nH]1)-c1ccccc1
CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1nc(-c2ccccc2)c[nH]1 c1ccc(cc1)O[*:1] CC[C@@H](NC(=O)[C@H](C)[*:1])c1nc(c[nH]1)-c1ccccc1
Cc1c(CN(CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1c(cccc1[N+](=O)[O-])CN(C[*:1])C(C)C
Cc1c(CN(CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] CC(C)[*:1] Cc1c(cccc1[N+](=O)[O-])CN(CC(F)(F)F)[*:1]
Cc1c(CN(CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] FC(F)(F)C[*:1] Cc1c(cccc1[N+](=O)[O-])CN(C(C)C)[*:1]
Cc1c(CN(CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])CN(CC(F)(F)F)C(C)C
CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c1 CC(C)NS(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@@H]1c1ccc[nH]1
CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c1 CC(C)[*:1] O=C(c1cccc(c1)S(=O)(=O)N[*:1])N1CCC[C@@H]1c1ccc[nH]1
CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c1 c1c[nH]c(c1)[*:1] CC(C)NS(=O)(=O)c1cccc(c1)C(=O)N1CCC[C@H]1[*:1]
O=C(c1ccccc1NS(=O)(=O)/C=C/c1ccccc1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(c1ccccc1NS(=O)(=O)C=C[*:1])N1CCCCC1
O=C(c1ccccc1NS(=O)(=O)/C=C/c1ccccc1)N1CCCCC1 C(=C[*:1])c1ccccc1 O=C(c1ccccc1NS(=O)(=O)[*:1])N1CCCCC1
O=C(c1ccccc1NS(=O)(=O)/C=C/c1ccccc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=S(=O)(/C=C/c1ccccc1)Nc1ccccc1[*:1]
CC1=N[C@H](C(=O)N2CCC[C@H](C(=O)N3CCCCC3)C2)C(C)=C1C O=C(N1CCCCC1)[*:1] CC1=N[C@H](C(=O)N2CCC[C@H](C2)[*:1])C(C)=C1C
Cc1cccc(/C=C/C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 NS(=O)(=O)[*:1] Cc1cccc(/C=C/C(=O)Nc2cccc(c2)[*:1])c1
Cc1cccc(/C=C/C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 Cc1cccc(c1)[*:1] NS(=O)(=O)c1cccc(c1)NC(=O)C=C[*:1]
Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccccc3)ns2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1nc(C)c(CCC(=O)Nc2nc(ns2)[*:1])c(=O)[nH]1
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(Nc1cccc(c1)OC[C@H]1CCCO1)[*:1]
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(Cl)s1 C1CO[C@H](C1)C[*:1] O=C(Nc1cccc(c1)O[*:1])c1ccc(Cl)s1
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(Cl)s1 C1CO[C@H](C1)CO[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(Cl)s1
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(Cl)s1 C1CO[C@H](C1)[*:1] O=C(Nc1cccc(c1)OC[*:1])c1ccc(Cl)s1
CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1cccs1 C1CC1[*:1] CC[C@@H]([NH2+]C[C@@H]1CN(CCO1)[*:1])c1cccs1
CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1cccs1 c1csc(c1)[*:1] CC[C@@H]([NH2+]C[C@@H]1CN(CCO1)C1CC1)[*:1]
COc1cc(C#N)ccc1OCc1csc(CC(=O)Nc2ccccc2C)n1 Cc1ccccc1[*:1] COc1cc(C#N)ccc1OCc1csc(CC(=O)N[*:1])n1
COCCc1ccc(Oc2ccc(NC(=O)[C@H]3CCO[C@@H]3C)cc2)cc1 COCC[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)Oc1ccc(cc1)[*:1]
COCCc1ccc(Oc2ccc(NC(=O)[C@H]3CCO[C@@H]3C)cc2)cc1 COC[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)Oc1ccc(cc1)C[*:1]
Cc1cccn2c(=O)cc(Cn3nnc(-c4ccsc4)n3)[nH+]c12 c1cc(cs1)[*:1] Cc1cccn2c(=O)cc(Cn3nnc(n3)[*:1])[nH+]c12
CC[C@H](COC)[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 COC[*:1] CC[C@H]([NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[*:1]
COc1cccc(N2CC[C@@H](CNC(=O)N3CCCC[C@@H]3C)C2)c1 COc1cccc(c1)[*:1] C[C@H]1CCCCN1C(=O)NC[C@@H]1CCN(C1)[*:1]
O=C(N(Cc1ccco1)Cc1ccco1)[C@@]12CNC[C@@H]1C[NH2+]C2 c1coc(c1)[*:1] O=C(N(Cc1ccco1)C[*:1])[C@@]12CNC[C@@H]1C[NH2+]C2
O=C(N(Cc1ccco1)Cc1ccco1)[C@@]12CNC[C@@H]1C[NH2+]C2 c1coc(c1)C[*:1] O=C(N(Cc1ccco1)[*:1])[C@@]12CNC[C@@H]1C[NH2+]C2
CCOCCS(=O)(=O)N1CCNC[C@H]1C#N CCO[*:1] N#C[C@@H]1CNCCN1S(=O)(=O)CC[*:1]
CCOCCS(=O)(=O)N1CCNC[C@H]1C#N CCOC[*:1] N#C[C@@H]1CNCCN1S(=O)(=O)C[*:1]
CCOCCS(=O)(=O)N1CCNC[C@H]1C#N CCOCC[*:1] N#C[C@@H]1CNCCN1S(=O)(=O)[*:1]
Cc1c(CNC2CC[NH+](Cc3ccc(F)cc3)CC2)cc(C#N)n1C Fc1ccc(cc1)[*:1] Cc1c(cc(C#N)n1C)CNC1CC[NH+](CC1)C[*:1]
Cc1c(CNC2CC[NH+](Cc3ccc(F)cc3)CC2)cc(C#N)n1C Fc1ccc(cc1)C[*:1] Cc1c(cc(C#N)n1C)CNC1CC[NH+](CC1)[*:1]
O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc(Cl)cc1 Brc1ccc(o1)[*:1] O=C(CNC(=O)[*:1])OCC(=O)c1ccc(Cl)cc1
O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)[*:1]
CC(C)[C@@H](O)CCNC(=O)c1ccc([S@@](=O)C(C)C)cc1 CC(C)[S@](=O)[*:1] CC(C)[C@@H](O)CCNC(=O)c1ccc(cc1)[*:1]
CC(C)[C@@H](O)CCNC(=O)c1ccc([S@@](=O)C(C)C)cc1 CC(C)[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)NCC[C@H](O)[*:1]
CC(C)[C@@H](O)CCNC(=O)c1ccc([S@@](=O)C(C)C)cc1 CC(C)[*:1] CC(C)[C@@H](O)CCNC(=O)c1ccc(cc1)[S@@](=O)[*:1]
CC(C)[C@@H](O)CCNC(=O)c1ccc([S@@](=O)C(C)C)cc1 CC(C)[C@@H](O)[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)NCC[*:1]
CC(C)[C@@H](O)CCNC(=O)c1ccc([S@@](=O)C(C)C)cc1 CC(C)[C@@H](O)C[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)NC[*:1]
CC(C)[C@@H](O)CCNC(=O)c1ccc([S@@](=O)C(C)C)cc1 CC(C)[C@@H](O)CC[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)N[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[S@](=O)C(C)(C)C2)n1 CCc1ccccc1[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)c1nn(cc1[O-])[*:1]
COc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1Cn1cc(Cl)cn1 Clc1cnn(c1)C[*:1] COc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1[*:1]
COc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1Cn1cc(Cl)cn1 Clc1cnn(c1)[*:1] COc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1C[*:1]
COc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1Cn1cc(Cl)cn1 Cc1nn(C)cc1[*:1] COc1ccc(/C=C/C(=O)[*:1])cc1Cn1cc(Cl)cn1
C[C@@H]1CCCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)C1 C[C@@H]1CCCN(C1)C(=O)[*:1] O=C(COc1ccccc1[*:1])Nc1ccc(Br)cc1
C[C@@H]1CCCN(C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)c1ccccc1OCC(=O)N[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(C)sc3c2)n(C)c1 CCN(CC)S(=O)(=O)[*:1] Cc1nc2ccc(cc2s1)NC(=O)c1cc(cn1C)[*:1]
CC(C)C(=O)c1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 O=[N+]([O-])[*:1] CC(C)C(=O)c1ccccc1NC(=O)Cn1cnc(n1)[*:1]
CC(C)C(=O)c1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 CC(C)[*:1] O=C(Cn1cnc(n1)[N+](=O)[O-])Nc1ccccc1C(=O)[*:1]
CC(C)C(=O)c1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 CC(C)C(=O)[*:1] O=C(Cn1cnc(n1)[N+](=O)[O-])Nc1ccccc1[*:1]
CC(C)n1cc(NC(=O)N[C@H](C)C(=O)NCc2ccco2)cn1 CC(C)[*:1] C[C@@H](NC(=O)Nc1cnn(c1)[*:1])C(=O)NCc1ccco1
CC(C)n1cc(NC(=O)N[C@H](C)C(=O)NCc2ccco2)cn1 c1coc(c1)C[*:1] CC(C)n1cc(cn1)NC(=O)N[C@H](C)C(=O)N[*:1]
CC(C)n1cc(NC(=O)N[C@H](C)C(=O)NCc2ccco2)cn1 c1coc(c1)[*:1] CC(C)n1cc(cn1)NC(=O)N[C@H](C)C(=O)NC[*:1]
Fc1cc2[nH]c([C@@H](Cl)c3ccccc3)nc2cc1Br c1ccc(cc1)[*:1] Fc1cc2[nH]c(nc2cc1Br)[C@@H](Cl)[*:1]
Cc1cc(C)cc(CCNC(=O)c2ccn(C(C)C)n2)c1 CC(C)[*:1] Cc1cc(C)cc(c1)CCNC(=O)c1ccn(n1)[*:1]
CCNc1cccc(COc2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] CCNc1cccc(COc2ccc(cc2)[*:1])n1
CCNc1cccc(COc2ccc(C(F)(F)F)cc2)n1 CCN[*:1] FC(F)(F)c1ccc(cc1)OCc1cccc(n1)[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)c3[nH]c4ccc(Cl)cc4c3Cl)CC2)no1 Cc1cc(no1)NC(=O)[*:1] O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCN(CC1)C[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)c3[nH]c4ccc(Cl)cc4c3Cl)CC2)no1 Cc1cc(no1)[*:1] O=C(CN1CCN(CC1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)N[*:1]
CC(C)(C)Oc1cc(CNC(=O)Nc2cc(C(C)(C)C)on2)ccn1 CC(C)(C)O[*:1] CC(C)(C)c1cc(no1)NC(=O)NCc1ccnc(c1)[*:1]
CC(C)(C)Oc1cc(CNC(=O)Nc2cc(C(C)(C)C)on2)ccn1 CC(C)(C)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)Nc1cc(on1)[*:1]
CC(C)(C)Oc1cc(CNC(=O)Nc2cc(C(C)(C)C)on2)ccn1 CC(C)(C)[*:1] CC(C)(C)c1cc(no1)NC(=O)NCc1ccnc(c1)O[*:1]
CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] CCOC(=O)[C@@H]1C(=O)C=C(C[C@H]1[*:1])c1ccc(cc1)NS(C)(=O)=O
CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1c(F)cccc1Cl CS(=O)(=O)N[*:1] CCOC(=O)[C@@H]1C(=O)C=C(C[C@@H]1c1c(F)cccc1Cl)c1ccc(cc1)[*:1]
CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1c(F)cccc1Cl CCOC(=O)[*:1] CS(=O)(=O)Nc1ccc(cc1)C1=CC(=O)[C@H]([C@H](C1)c1c(F)cccc1Cl)[*:1]
CCn1c(C)c(C(=O)NN)c2cc(O)ccc21 NNC(=O)[*:1] CCn1c(C)c(c2cc(O)ccc21)[*:1]
O=C([O-])c1cncc(C(=O)c2ccsc2)c1 O=C([O-])[*:1] O=C(c1ccsc1)c1cncc(c1)[*:1]
O=C([O-])c1cncc(C(=O)c2ccsc2)c1 c1cc(cs1)[*:1] O=C([O-])c1cncc(c1)C(=O)[*:1]
O=C(NCc1ccccc1Cl)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 Clc1ccccc1C[*:1] O=C(Nc1ccc(Cl)c(c1)C(=O)NC1CC1)N[*:1]
O=C(NCc1ccccc1Cl)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(NCc1ccccc1Cl)Nc1ccc(Cl)c(c1)[*:1]
O=C(NCc1ccccc1Cl)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 Clc1ccccc1[*:1] O=C(NC[*:1])Nc1ccc(Cl)c(c1)C(=O)NC1CC1
O=C(NCc1ccccc1Cl)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(NCc1ccccc1Cl)Nc1ccc(Cl)c(c1)C(=O)N[*:1]
COc1cc2c(cc1OC)[C@@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 FC(F)(F)[*:1] COc1cc2NC(=O)C[C@H](c3cccc(c3)[*:1])c2cc1OC
C[C@@]1(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)CCS(=O)(=O)C1 Clc1cccc(c1)[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)Cc1csc(n1)[*:1]
COc1cc2c(Cc3ccccc3)cncc2cc1O c1ccc(cc1)[*:1] COc1cc2c(cncc2cc1O)C[*:1]
CCCCS(=O)(=O)N[C@H](C)Cc1ccco1 c1coc(c1)[*:1] CCCCS(=O)(=O)N[C@H](C)C[*:1]
CCCCS(=O)(=O)N[C@H](C)Cc1ccco1 CCC[*:1] C[C@H](Cc1ccco1)NS(=O)(=O)C[*:1]
CCCCS(=O)(=O)N[C@H](C)Cc1ccco1 CCCC[*:1] C[C@H](Cc1ccco1)NS(=O)(=O)[*:1]
Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCc1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1sc(cc1S(=O)(=O)NCc1ccc(F)cc1)-c1nc(no1)[*:1]
Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1sc(cc1S(=O)(=O)N[*:1])-c1nc(no1)-c1ccccc1
Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(cc1S(=O)(=O)NC[*:1])-c1nc(no1)-c1ccccc1
CC(C)CC1(C[NH2+]CCC(C)(C)O)CCCC1 CC(C)C[*:1] CC(C)(O)CC[NH2+]CC1(CCCC1)[*:1]
CC(C)CC1(C[NH2+]CCC(C)(C)O)CCCC1 CC(C)(O)C[*:1] CC(C)CC1(CCCC1)C[NH2+]C[*:1]
CC(C)CC1(C[NH2+]CCC(C)(C)O)CCCC1 CC(C)(O)[*:1] CC(C)CC1(CCCC1)C[NH2+]CC[*:1]
CC(C)CC1(C[NH2+]CCC(C)(C)O)CCCC1 CC(C)[*:1] CC(C)(O)CC[NH2+]CC1(CCCC1)C[*:1]
CCOc1ccccc1C(=O)NC[C@H]1COc2ccccc2O1 CCO[*:1] O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1[*:1]
Cn1cc(NC(=O)Cn2cc(-c3ccccc3)cn2)nn1 Cn1cc(nn1)[*:1] O=C(Cn1cc(cn1)-c1ccccc1)N[*:1]
Cn1cc(NC(=O)Cn2cc(-c3ccccc3)cn2)nn1 c1ccc(cc1)[*:1] Cn1cc(nn1)NC(=O)Cn1cc(cn1)[*:1]
CS[C@H]1CCC[C@H](NC(=O)c2cccc(-c3ccoc3)c2)C1 c1cc(co1)[*:1] CS[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(c1)[*:1]
CC(=O)Nc1ccc(N2C(=O)S/C(=C3\C(=O)N(C)c4ccccc43)C2=O)cc1 CC(=O)N[*:1] CN1C(=O)/C(=C2\SC(=O)N(C2=O)c2ccc(cc2)[*:1])c2ccccc21
CCOc1ccc(-c2nc(NC(=O)c3cncc(Br)c3)sc2C)cc1 Brc1cncc(c1)[*:1] CCOc1ccc(cc1)-c1nc(NC(=O)[*:1])sc1C
CCOc1ccc(-c2nc(NC(=O)c3cncc(Br)c3)sc2C)cc1 CCO[*:1] Cc1sc(nc1-c1ccc(cc1)[*:1])NC(=O)c1cncc(Br)c1
CC(C)CCO[C@H](C)C(=O)N1C[C@H](C)NC(=O)c2ccc(F)cc21 CC(C)CCO[C@H](C)[*:1] C[C@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
CC(C)CCO[C@H](C)C(=O)N1C[C@H](C)NC(=O)c2ccc(F)cc21 CC(C)CCO[*:1] C[C@H]1CN(C(=O)[C@@H](C)[*:1])c2cc(F)ccc2C(=O)N1
CC(C)CCO[C@H](C)C(=O)N1C[C@H](C)NC(=O)c2ccc(F)cc21 CC(C)C[*:1] C[C@H]1CN(C(=O)[C@@H](C)OC[*:1])c2cc(F)ccc2C(=O)N1
CC(C)CCO[C@H](C)C(=O)N1C[C@H](C)NC(=O)c2ccc(F)cc21 CC(C)[*:1] C[C@H]1CN(C(=O)[C@@H](C)OCC[*:1])c2cc(F)ccc2C(=O)N1
CC(C)CCO[C@H](C)C(=O)N1C[C@H](C)NC(=O)c2ccc(F)cc21 CC(C)CC[*:1] C[C@H]1CN(C(=O)[C@@H](C)O[*:1])c2cc(F)ccc2C(=O)N1
CN(C)C(=O)c1cccc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1 NC(=O)[*:1] CN(C)C(=O)c1cccc(c1)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
CN(C)C(=O)c1cccc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1 CN(C)C(=O)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)c1cccc(c1)[*:1]
Cc1cscc1CNS(=O)(=O)c1cccnc1NN Cc1cscc1[*:1] NNc1ncccc1S(=O)(=O)NC[*:1]
CCOc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccccn2)ccc1O c1ccc(nc1)[*:1] CCOc1cc(ccc1O)[C@H]1c2c(oc3ccc(Br)cc3c2=O)C(=O)N1[*:1]
CCOc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccccn2)ccc1O CCOc1cc(ccc1O)[*:1] O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](N1c1ccccn1)[*:1]
CCOc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccccn2)ccc1O CCO[*:1] O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccc(O)c(c2)[*:1])N1c1ccccn1
O=C(C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 Clc1ccc(cc1Cl)[*:1] O=C(C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@@H]1[*:1])c1ccc(F)cc1
O=C(C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C(O)=C(C(=O)[*:1])[C@H](c2ccc(Cl)c(Cl)c2)N1CC[NH+]1CCOCC1
O=C(C1=C(O)C(=O)N(CC[NH+]2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=C1C(O)=C([C@H](c2ccc(Cl)c(Cl)c2)N1CC[NH+]1CCOCC1)[*:1]
Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C Cc1ccccc1C(=O)N[*:1] CC(C)N(C(=O)Cn1c(nc2ccccc21)[C@H](C)[*:1])C(C)C
Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C Cc1ccccc1[*:1] CC(C)N(C(=O)Cn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1])C(C)C
Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C CC(C)N(C(=O)[*:1])C(C)C Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1C[*:1]
Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N(C(C)C)[*:1]
Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C CC(C)N(C(=O)C[*:1])C(C)C Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1[*:1]
Cc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])-c1ccc(=O)n(n1)-c1c(C)noc1C
Cc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2C)c(C)c1 Cc1noc(C)c1[*:1] Cc1ccc(NS(=O)(=O)c2cc(ccc2C)-c2ccc(=O)n(n2)[*:1])c(C)c1
CCCCN(C(=O)N[C@H](c1ccccc1)C1CCC1)[C@@H]1CCS(=O)(=O)C1 C1CC(C1)[*:1] CCCCN(C(=O)N[C@H](c1ccccc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@H](c1ccccc1)C1CCC1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(N[C@H](c1ccccc1)C1CCC1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)N[C@H](c1ccccc1)C1CCC1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCCN(C(=O)N[C@H](C1CCC1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@H](c1ccccc1)C1CCC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCCN(C(=O)N[C@H](c1ccccc1)C1CCC1)[*:1]
CCCCN(C(=O)N[C@H](c1ccccc1)C1CCC1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(N[C@H](c1ccccc1)C1CCC1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1c(C(=O)NC[C@]2(N3CCOCC3)CCSC2)cnn1C(C)C C1CN(CCO1)[*:1] Cc1c(cnn1C(C)C)C(=O)NC[C@@]1(CCSC1)[*:1]
Cc1c(C(=O)NC[C@]2(N3CCOCC3)CCSC2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@@]1(CCSC1)N1CCOCC1
CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)[C@@H]1CNCC(=O)N1 c1csc(c1)[*:1] CN(Cc1cc(n[nH]1)[*:1])C(=O)[C@@H]1CNCC(=O)N1
COc1ccc(S(=O)(=O)/N=C(\[O-])c2cc(C)oc2C)cc1 Cc1cc(c(C)o1)[*:1] COc1ccc(cc1)S(=O)(=O)/N=C(\[O-])[*:1]
CCC(CC)CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 CCC(CC)C[*:1] C1C[C@@H]2C[C@H]1C[C@@H]2[NH+]1CCN(CC1)[*:1]
CCC(CC)CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 CCC(CC)[*:1] C1C[C@@H]2C[C@H]1C[C@@H]2[NH+]1CCN(CC1)C[*:1]
CCOc1c(F)cccc1C(=O)Nc1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CCOc1c(F)cccc1C(=O)Nc1ccc(cc1)[*:1]
CCOc1c(F)cccc1C(=O)Nc1ccc(-n2ccnc2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)-n1ccnc1)c1cccc(F)c1[*:1]
NC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1S/C(=N\Cc1ccco1)N2Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] NC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1S/C(=N\Cc1ccco1)N2[*:1]
NC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1S/C(=N\Cc1ccco1)N2Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1S/C(=N\Cc1ccco1)N2C[*:1]
NC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1S/C(=N\Cc1ccco1)N2Cc1ccc(F)cc1 NC(=O)[*:1] O[C@@H]1C[C@@H]([C@H]2S/C(=N\Cc3ccco3)N(Cc3ccc(F)cc3)[C@H]2[C@H]1O)[*:1]
NC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1S/C(=N\Cc1ccco1)N2Cc1ccc(F)cc1 c1coc(c1)[*:1] NC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1S/C(=N\C[*:1])N2Cc1ccc(F)cc1
NC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1S/C(=N\Cc1ccco1)N2Cc1ccc(F)cc1 c1coc(c1)C[*:1] NC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1SC(=N[*:1])N2Cc1ccc(F)cc1
NC(=S)c1ncn([C@@H]2CCO[C@]3(CCOC3)C2)n1 NC(=S)[*:1] c1nc(nn1[C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
Cc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)/C=C/c1c(C)nn(c1C)[*:1]
Cc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)o1 Cc1ccc(o1)[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)[*:1]
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H]([N+]3=CCCC3)C2)n1 CC(C)(C)[*:1] N#Cc1cn(nc1NC(=O)C(=O)N1CC[C@@H](C1)[N+]1=CCCC1)[*:1]
Cc1ccc(NC(=O)NCCCc2ccccc2)cc1S(C)(=O)=O c1ccc(cc1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)NCCC[*:1]
Cc1ccc(NC(=O)NCCCc2ccccc2)cc1S(C)(=O)=O c1ccc(cc1)CC[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)NC[*:1]
Cc1ccc(NC(=O)NCCCc2ccccc2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NCCCc1ccccc1
Cc1ccc(NC(=O)NCCCc2ccccc2)cc1S(C)(=O)=O c1ccc(cc1)C[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)NCC[*:1]
CCn1ccnc(NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c1=O Fc1ccc(cc1F)[*:1] CCn1ccnc(NC[C@@H]2CCN(C2)[*:1])c1=O
CCc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC[NH+](C)CC3)ccc2N2CC[NH2+]CC2)cc1 CCc1ccc(cc1)[*:1] C[NH+]1CCCN(CC1)C(=O)c1ccc(c(c1)NS(=O)(=O)[*:1])N1CC[NH2+]CC1
Cn1nccc1CNc1ncc(Cl)c(NCc2ccnn2C)n1 Cn1nccc1[*:1] Cn1nccc1CNc1ncc(Cl)c(n1)NC[*:1]
Cn1nccc1CNc1ncc(Cl)c(NCc2ccnn2C)n1 Cn1nccc1[*:1] Cn1nccc1CNc1nc(ncc1Cl)NC[*:1]
Cn1nccc1CNc1ncc(Cl)c(NCc2ccnn2C)n1 Cn1nccc1C[*:1] Cn1nccc1CNc1nc(ncc1Cl)N[*:1]
Cn1nccc1CNc1ncc(Cl)c(NCc2ccnn2C)n1 Cn1nccc1C[*:1] Cn1nccc1CNc1ncc(Cl)c(n1)N[*:1]
CNS(=O)(=O)CC(=O)N1CCCCC[C@H]1c1cccc(C)c1 Cc1cccc(c1)[*:1] CNS(=O)(=O)CC(=O)N1CCCCC[C@@H]1[*:1]
CNS(=O)(=O)CC(=O)N1CCCCC[C@H]1c1cccc(C)c1 CNS(=O)(=O)C[*:1] Cc1cccc(c1)[C@@H]1CCCCCN1C(=O)[*:1]
CNS(=O)(=O)CC(=O)N1CCCCC[C@H]1c1cccc(C)c1 CNS(=O)(=O)[*:1] Cc1cccc(c1)[C@@H]1CCCCCN1C(=O)C[*:1]
CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C COc1ccc(C)cc1[*:1] CCn1c(nc2c1c(=O)n(C)c(=O)n2C)SCC(=O)N[*:1]
CCc1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1 c1cc(cs1)[*:1] CCc1cccc(c1)NC(=O)c1csc(n1)[*:1]
NC(=O)c1ccc(NC(=O)CSCc2ccncc2)cc1 c1cc(ccn1)C[*:1] NC(=O)c1ccc(cc1)NC(=O)CS[*:1]
NC(=O)c1ccc(NC(=O)CSCc2ccncc2)cc1 c1cc(ccn1)[*:1] NC(=O)c1ccc(cc1)NC(=O)CSC[*:1]
NC(=O)c1ccc(NC(=O)CSCc2ccncc2)cc1 NC(=O)[*:1] O=C(CSCc1ccncc1)Nc1ccc(cc1)[*:1]
CC(=O)N(Cc1ccc2c(c1)CN(C(=O)c1ccc(F)cc1)CCO2)c1ccc(C)cc1 Fc1ccc(cc1)[*:1] CC(=O)N(Cc1ccc2OCCN(Cc2c1)C(=O)[*:1])c1ccc(C)cc1
CC(=O)N(Cc1ccc2c(c1)CN(C(=O)c1ccc(F)cc1)CCO2)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N(Cc1ccc2OCCN(Cc2c1)C(=O)c1ccc(F)cc1)[*:1]
C[C@H]1CC[C@@H](NC(=O)CCCn2ccnn2)c2ccccc21 c1cn(C[*:1])nn1 C[C@H]1CC[C@@H](NC(=O)CC[*:1])c2ccccc21
C[C@H]1CC[C@@H](NC(=O)CCCn2ccnn2)c2ccccc21 c1cn(nn1)[*:1] C[C@H]1CC[C@@H](NC(=O)CCC[*:1])c2ccccc21
C[C@H]1CC[C@@H](NC(=O)CCCn2ccnn2)c2ccccc21 c1cn(CC[*:1])nn1 C[C@H]1CC[C@@H](NC(=O)C[*:1])c2ccccc21
O=C(Nc1ccc2c(c1)OCO2)N1CC[NH+](C/C=C/c2ccccc2)CC1 C(=C/c1ccccc1)\C[*:1] O=C(Nc1ccc2OCOc2c1)N1CC[NH+](CC1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)N1CC[NH+](C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(Nc1ccc2OCOc2c1)N1CC[NH+](CC1)C[*:1]
O=C(Nc1ccc2c(c1)OCO2)N1CC[NH+](C/C=C/c2ccccc2)CC1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])N1CC[NH+](C/C=C/c2ccccc2)CC1
O=C(Nc1ccc2c(c1)OCO2)N1CC[NH+](C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)N1CC[NH+](CC=C[*:1])CC1
CN(CC[NH+]1CCC(N)CC1)Cc1ccsc1 c1cc(cs1)[*:1] CN(CC[NH+]1CCC(N)CC1)C[*:1]
C[C@H](CCc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21
C[C@H](CCc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21)[*:1]
C[C@H](CCc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21
C[C@@]([NH3+])(Cc1nccs1)c1ccc(Br)cc1 c1csc(n1)[*:1] C[C@@]([NH3+])(C[*:1])c1ccc(Br)cc1
Cc1nnc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1-c1ccccc1 c1csc(c1)[*:1] Cc1nnc(SCC(=O)N(C[*:1])c2ccc3OCCOc3c2)n1-c1ccccc1
Cc1nnc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1-c1ccccc1 c1cc2OCCOc2cc1[*:1] Cc1nnc(SCC(=O)N(Cc2cccs2)[*:1])n1-c1ccccc1
Cc1nnc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1-c1ccccc1 c1csc(c1)C[*:1] Cc1nnc(SCC(=O)N(c2ccc3OCCOc3c2)[*:1])n1-c1ccccc1
Cc1nnc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(SCC(=O)N(Cc2cccs2)c2ccc3OCCOc3c2)n1[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)N[C@@H]1CCN(C1)c1c(F)cccc1F)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H]1CCN(C1)[*:1]
O=C(NCCO)Nc1ccc2nc(N3CCOCC3)sc2c1 O=C(NCCO)N[*:1] c1cc2nc(sc2cc1[*:1])N1CCOCC1
O=C(NCCO)Nc1ccc2nc(N3CCOCC3)sc2c1 OCC[*:1] O=C(Nc1ccc2nc(sc2c1)N1CCOCC1)N[*:1]
O=C(NCCO)Nc1ccc2nc(N3CCOCC3)sc2c1 C1CN(CCO1)[*:1] O=C(NCCO)Nc1ccc2nc(sc2c1)[*:1]
C#CC[C@@H](C)OC(=O)c1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] C#CC[C@@H](C)OC(=O)c1cccc(c1)NC(=O)[*:1]
C#CC[C@@H](C)OC(=O)c1cccc(NC(=O)c2ccco2)c1 C#CC[*:1] C[C@@H](OC(=O)c1cccc(c1)NC(=O)c1ccco1)[*:1]
O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CC1 C1CC1[*:1] O=C(Nc1ccc(cc1)NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)[*:1]
O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CC1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)NS(=O)(=O)c1ccc(Cl)c(c1)[*:1])C1CC1
O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CC1 O=C(N[*:1])C1CC1 O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc(Cl)c(c1)C(F)(F)F
C=CCN(C(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O)C1CCCC1 C1CC1[*:1] C=CCN(C(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])C1CCCC1
C=CCN(C(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O)C1CCCC1 C=CC[*:1] O=C1c2ccc(cc2C(=O)N1C1CC1)C(=O)N(C1CCCC1)[*:1]
C=CCN(C(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O)C1CCCC1 C1CCC(C1)[*:1] C=CCN(C(=O)c1ccc2C(=O)N(C(=O)c2c1)C1CC1)[*:1]
COC(=O)c1c(NC(=O)c2cccs2)sc(Cc2ccccc2)c1C c1csc(c1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc(Cc2ccccc2)c1C
COC(=O)c1c(NC(=O)c2cccs2)sc(Cc2ccccc2)c1C c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)c2cccs2)sc(C[*:1])c1C
COC(=O)c1c(NC(=O)c2cccs2)sc(Cc2ccccc2)c1C COC(=O)[*:1] Cc1c(Cc2ccccc2)sc(NC(=O)c2cccs2)c1[*:1]
COC(=O)c1c(NC(=O)c2cccs2)sc(Cc2ccccc2)c1C c1ccc(cc1)C[*:1] COC(=O)c1c(NC(=O)c2cccs2)sc(c1C)[*:1]
COC(=O)c1c(NC(=O)c2cccs2)sc(Cc2ccccc2)c1C O=C(N[*:1])c1cccs1 COC(=O)c1c(sc(Cc2ccccc2)c1C)[*:1]
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(cc1)C(=O)NCC[*:1]
CCn1nc(C)c(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)N2CCC[C@@H](C2)N[*:1])c1C
CCn1nc(C)c(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)c1C c1ccc(cc1)N[*:1] CCn1nc(C)c(NC(=O)N2CCC[C@H](C2)[*:1])c1C
O=S(=O)(Cc1nc(C2CC2)no1)c1ccc2ccccc2n1 C1CC1[*:1] O=S(=O)(Cc1nc(no1)[*:1])c1ccc2ccccc2n1
Cl[C@H](CNc1ncnc2c1CCCC2)C1CC1 C1CC1[*:1] Cl[C@H](CNc1ncnc2CCCCc21)[*:1]
Cl[C@H](CNc1ncnc2c1CCCC2)C1CC1 Cl[C@H](C1CC1)[*:1] c1nc2CCCCc2c(n1)NC[*:1]
COC(=O)[C@H](NC(C)C)c1cnn(C)c1C CC(C)[*:1] COC(=O)[C@H](N[*:1])c1cnn(C)c1C
COC(=O)[C@H](NC(C)C)c1cnn(C)c1C CC(C)N[*:1] COC(=O)[C@H](c1cnn(C)c1C)[*:1]
COC(=O)[C@H](NC(C)C)c1cnn(C)c1C COC(=O)[*:1] Cc1c(cnn1C)[C@@H](NC(C)C)[*:1]
CCCOc1cccc([C@H]2CC[NH2+][C@@H]2C(=O)[O-])c1 CCCO[*:1] O=C([O-])[C@H]1[NH2+]CC[C@@H]1c1cccc(c1)[*:1]
CCCOc1cccc([C@H]2CC[NH2+][C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] CCCOc1cccc(c1)[C@H]1CC[NH2+][C@H]1[*:1]
CCCOc1cccc([C@H]2CC[NH2+][C@@H]2C(=O)[O-])c1 CCC[*:1] O=C([O-])[C@H]1[NH2+]CC[C@@H]1c1cccc(c1)O[*:1]
COC(=O)c1c[nH]c2cc(C)ccc12 COC(=O)[*:1] Cc1ccc2c(c[nH]c2c1)[*:1]
O=C(Cn1nc2n(c1=O)CCCCC2)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Cn1nc2CCCCCn2c1=O)N1CCN(CC1)C(c1ccc(F)cc1)[*:1]
CC(C)NC(=O)C1CCN(C(=O)c2cc(-c3ccccn3)[nH]n2)CC1 c1ccc(nc1)[*:1] CC(C)NC(=O)C1CCN(CC1)C(=O)c1cc([nH]n1)[*:1]
CC(C)NC(=O)C1CCN(C(=O)c2cc(-c3ccccn3)[nH]n2)CC1 CC(C)NC(=O)[*:1] O=C(c1cc([nH]n1)-c1ccccn1)N1CCC(CC1)[*:1]
CC(C)NC(=O)C1CCN(C(=O)c2cc(-c3ccccn3)[nH]n2)CC1 CC(C)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cc([nH]n1)-c1ccccn1
Cc1cc([C@]2(C)NC(=O)N(CC(=O)c3ccccc3OC(F)F)C2=O)c(C)o1 FC(F)[*:1] Cc1cc(c(C)o1)[C@]1(C)NC(=O)N(CC(=O)c2ccccc2O[*:1])C1=O
Cc1cc([C@]2(C)NC(=O)N(CC(=O)c3ccccc3OC(F)F)C2=O)c(C)o1 FC(F)O[*:1] Cc1cc(c(C)o1)[C@]1(C)NC(=O)N(CC(=O)c2ccccc2[*:1])C1=O
Cc1cc([C@]2(C)NC(=O)N(CC(=O)c3ccccc3OC(F)F)C2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@]1(NC(=O)N(CC(=O)c2ccccc2OC(F)F)C1=O)[*:1]
COc1ccc2c(c1)OC(=O)[C@H](CC(=O)/N=C1\N=N[C@H](C(C)(C)C)S1)[C@H]2C CC(C)(C)[*:1] COc1ccc2c(c1)OC(=O)[C@H](CC(=O)/N=C1\N=N[C@H](S1)[*:1])[C@H]2C
O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(Cc2ccncc2)C1 c1cc(ccn1)C[*:1] O=C(NCCc1ccc2OCOc2c1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(Cc2ccncc2)C1 c1cc2OCOc2cc1[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(Cc2ccncc2)C1
O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(Cc2ccncc2)C1 c1cc(ccn1)[*:1] O=C(NCCc1ccc2OCOc2c1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 O[C@H]1CCC[C@H]1[*:1] O=C(NC[*:1])[C@H]1CCCC[C@@H]1C(=O)N1CCCC1
O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 O[C@H]1CCC[C@H]1C[*:1] O=C(N[*:1])[C@H]1CCCC[C@@H]1C(=O)N1CCCC1
O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1CCCC[C@H]1[*:1]
O=C(c1ccccc1Cl)N1CCC2(CC1)SCC(=O)N2Cc1ccco1 c1coc(c1)[*:1] O=C(c1ccccc1Cl)N1CCC2(CC1)SCC(=O)N2C[*:1]
O=C(c1ccccc1Cl)N1CCC2(CC1)SCC(=O)N2Cc1ccco1 Clc1ccccc1[*:1] O=C1CSC2(CCN(CC2)C(=O)[*:1])N1Cc1ccco1
O=C(c1ccccc1Cl)N1CCC2(CC1)SCC(=O)N2Cc1ccco1 c1coc(c1)C[*:1] O=C(c1ccccc1Cl)N1CCC2(CC1)SCC(=O)N2[*:1]
Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)ccc21 FC(F)(F)[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2)[*:1]
C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccnc1 c1cncc(c1)[*:1] C[C@H]([NH2+]C[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
O=C(NCc1coc(-c2cccs2)n1)N1CCC[C@H]1c1ccncc1 c1csc(c1)[*:1] O=C(NCc1coc(n1)[*:1])N1CCC[C@H]1c1ccncc1
O=C(NCc1coc(-c2cccs2)n1)N1CCC[C@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(NCc1coc(n1)-c1cccs1)N1CCC[C@@H]1[*:1]
CC1(C)C(CN=C=S)C1(C)C S=C=N[*:1] CC1(C)C(C[*:1])C1(C)C
CCn1cc(C(=O)NCc2ccccc2Cl)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21 Clc1ccccc1[*:1] CCn1cc(C(=O)NC[*:1])c(=O)c2cc(F)c(cc21)N1CC[NH+](C)CC1
CCn1cc(C(=O)NCc2ccccc2Cl)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21 Clc1ccccc1C[*:1] CCn1cc(C(=O)N[*:1])c(=O)c2cc(F)c(cc21)N1CC[NH+](C)CC1
O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)Nc1cc(F)ccc1F Fc1ccc(cc1)[*:1] O=C(CSc1ncc([nH]1)[*:1])Nc1cc(F)ccc1F
O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(CSc1ncc([nH]1)-c1ccc(F)cc1)N[*:1]
O=C(C[NH+]1CCN(Cc2nc(-c3ccco3)cs2)CC1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc(cs1)-c1ccco1)N1CCC(CC1)C[*:1]
O=C(C[NH+]1CCN(Cc2nc(-c3ccco3)cs2)CC1)N1CCC(Cc2ccccc2)CC1 c1coc(c1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc(cs1)[*:1])N1CCC(CC1)Cc1ccccc1
O=C(C[NH+]1CCN(Cc2nc(-c3ccco3)cs2)CC1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc(cs1)-c1ccco1)N1CCC(CC1)[*:1]
O=C(C[NH+]1CCN(Cc2nc(-c3ccco3)cs2)CC1)N1CCC(Cc2ccccc2)CC1 c1coc(c1)-c1csc(C[*:1])n1 O=C(C[NH+]1CCN(CC1)[*:1])N1CCC(CC1)Cc1ccccc1
O=C(C[NH+]1CCN(Cc2nc(-c3ccco3)cs2)CC1)N1CCC(Cc2ccccc2)CC1 c1coc(c1)-c1csc(n1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])N1CCC(CC1)Cc1ccccc1
CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cccc(C#N)c1 CNC(=O)C[*:1] CN1C(=O)c2ccccc2N([C@H]1c1cccc(C#N)c1)[*:1]
CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1[*:1]
CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cccc(C#N)c1 CNC(=O)[*:1] CN1C(=O)c2ccccc2N(C[*:1])[C@H]1c1cccc(C#N)c1
CO[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 CO[C@@H](C)[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)[*:1]
CO[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] CO[C@@H](C)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2OCCOc2c1)[*:1]
CNC(=O)N1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 C1CC1[*:1] CNC(=O)N1CCN(CC1)c1cc(C)[nH+]c(n1)[*:1]
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2c(c1)OCCO2 Clc1cccc(Cl)c1[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc2OCCOc2c1
NC(=O)C1CCC(CNC(=O)c2c3ccccc3cc3ccccc23)CC1 NC(=O)[*:1] O=C(NCC1CCC(CC1)[*:1])c1c2ccccc2cc2ccccc12
NC(=O)C1CCC(CNC(=O)c2c3ccccc3cc3ccccc23)CC1 NC(=O)C1CCC(CC1)[*:1] O=C(NC[*:1])c1c2ccccc2cc2ccccc12
Cc1nc([C@H](NC(=O)c2cc(C3CC3)on2)c2ccc(Cl)cc2)no1 c1c(noc1C1CC1)[*:1] Cc1nc(no1)[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
Cc1nc([C@H](NC(=O)c2cc(C3CC3)on2)c2ccc(Cl)cc2)no1 Cc1nc(no1)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])c1cc(on1)C1CC1
Cc1nc([C@H](NC(=O)c2cc(C3CC3)on2)c2ccc(Cl)cc2)no1 C1CC1[*:1] Cc1nc(no1)[C@H](NC(=O)c1cc(on1)[*:1])c1ccc(Cl)cc1
Cc1nc([C@H](NC(=O)c2cc(C3CC3)on2)c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1nc(no1)[C@H](NC(=O)c1cc(on1)C1CC1)[*:1]
Cc1noc(-c2ccc(C(=O)NCC[C@@H](O)c3ccccc3)cc2)n1 O[C@@H](c1ccccc1)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NCC[*:1]
Cc1noc(-c2ccc(C(=O)NCC[C@@H](O)c3ccccc3)cc2)n1 Cc1noc(n1)[*:1] O=C(NCC[C@@H](O)c1ccccc1)c1ccc(cc1)[*:1]
Cc1noc(-c2ccc(C(=O)NCC[C@@H](O)c3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NCC[C@@H](O)[*:1]
COC(=O)Cc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1F COC(=O)C[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1F)C(F)(F)F
COC(=O)Cc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] COC(=O)Cc1ccccc1NC(=O)c1cccc(c1F)[*:1]
COC(=O)Cc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1F COC(=O)[*:1] O=C(Nc1ccccc1C[*:1])c1cccc(c1F)C(F)(F)F
CC(C)c1nc(Cn2cnc3sccc3c2=O)no1 CC(C)[*:1] O=c1c2ccsc2ncn1Cc1noc(n1)[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(C#N)c1 Fc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1cccc(C#N)c1)[*:1]
COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[*:1]
COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 COc1cccc(c1)[*:1] O=C(c1ccc(F)cc1)N1CCCc2cc(ccc21)S(=O)(=O)N[*:1]
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cccc2cc[nH]c12 O=C(N1CCCC1)[*:1] Cc1cc(ccc1NC(=O)c1cccc2cc[nH]c12)[*:1]
Cc1cnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3csc(C)n3)CC2)cn1 Cc1nc(cs1)C[*:1] Cc1cnc(cn1)C(=O)N1CCCC[C@H]1C1CCN(CC1)C(=O)[*:1]
Cc1cnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3csc(C)n3)CC2)cn1 Cc1cnc(cn1)[*:1] Cc1nc(cs1)CC(=O)N1CCC(CC1)[C@@H]1CCCCN1C(=O)[*:1]
Cc1cnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3csc(C)n3)CC2)cn1 Cc1nc(cs1)[*:1] Cc1cnc(cn1)C(=O)N1CCCC[C@H]1C1CCN(CC1)C(=O)C[*:1]
C[C@H]1CN(Cn2nc(-c3cc(-c4ccccn4)nc4ccccc34)oc2=S)C[C@H](C)O1 c1ccc(nc1)[*:1] C[C@H]1CN(C[C@H](C)O1)Cn1nc(oc1=S)-c1cc(nc2ccccc12)[*:1]
Cn1cnnc1-c1ccccc1N[C@H]1CSCCC1(C)C Cn1cnnc1[*:1] CC1(C)CCSC[C@@H]1Nc1ccccc1[*:1]
C[C@H]([NH2+]CCCOC1CCCCC1)C1(C)CC1 CC1(CC1)[*:1] C[C@H]([NH2+]CCCOC1CCCCC1)[*:1]
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cn(Cc2ccccc2)nn1 c1ccc2cc(ccc2c1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1cn(Cc2ccccc2)nn1
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cn(Cc2ccccc2)nn1 c1ccc(cc1)C[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cn(nn1)[*:1]
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cn(Cc2ccccc2)nn1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cn(C[*:1])nn1
C/C(=C\C1CCOCC1)C[NH2+]C(C)C CC(C)[*:1] C/C(=C\C1CCOCC1)C[NH2+][*:1]
COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)[*:1])S(=O)(=O)[N-]c1ccc(F)cc1C
O=C(CCN1CC[C@@H]([NH2+]C2CC2)C1=O)NC1CC1 C1CC1[*:1] O=C(CCN1CC[C@@H]([NH2+]C2CC2)C1=O)N[*:1]
O=C(CCN1CC[C@@H]([NH2+]C2CC2)C1=O)NC1CC1 O=C(NC1CC1)[*:1] O=C1[C@@H](CCN1CC[*:1])[NH2+]C1CC1
O=C(CCN1CC[C@@H]([NH2+]C2CC2)C1=O)NC1CC1 C1CC1[*:1] O=C(CCN1CC[C@@H]([NH2+][*:1])C1=O)NC1CC1
COc1cc(F)c(NC(=O)c2cccc(-c3ccoc3)c2)cc1OC c1cc(co1)[*:1] COc1cc(F)c(cc1OC)NC(=O)c1cccc(c1)[*:1]
Cc1ccc(C(=O)Oc2ccc(N3C(=O)CCC3=O)c(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ccc1N1C(=O)CCC1=O)OC(=O)[*:1]
Cc1ccc(C(=O)Oc2ccc(N3C(=O)CCC3=O)c(C)c2)cc1 O=C1CCC(=O)N1[*:1] Cc1ccc(cc1)C(=O)Oc1ccc(c(C)c1)[*:1]
C[C@@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)c1ccc(NC(N)=O)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@H](N1CC[NH+](C)CC1)[*:1])c1ccc(cc1)NC(N)=O
COCCOc1ccc(Br)cc1C(=O)NC(=S)N1CCOCC1 COC[*:1] O=C(NC(=S)N1CCOCC1)c1cc(Br)ccc1OC[*:1]
COCCOc1ccc(Br)cc1C(=O)NC(=S)N1CCOCC1 COCC[*:1] O=C(NC(=S)N1CCOCC1)c1cc(Br)ccc1O[*:1]
COCCOc1ccc(Br)cc1C(=O)NC(=S)N1CCOCC1 COCCO[*:1] O=C(NC(=S)N1CCOCC1)c1cc(Br)ccc1[*:1]
Cc1cc(C)cc(COC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] Cc1cc(C)cc(c1)COC(=O)CNS(=O)(=O)[*:1]
Cc1cc(C)cc(COC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c1 Cc1cc(C)cc(c1)[*:1] Cc1ccc(cc1C)S(=O)(=O)NCC(=O)OC[*:1]
NC(=O)C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 NC(=O)C[*:1] C1C[C@H]2CO[C@H](C[NH2+][*:1])CN2C1
NC(=O)C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 NC(=O)[*:1] C1C[C@H]2CO[C@H](C[NH2+]C[*:1])CN2C1
C[C@@H](NC(=O)C1CCN(C(=O)N2CCOc3ccc(Cl)cc32)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)N1CCOc2ccc(Cl)cc21
C[C@@H](NC(=O)C1CCN(C(=O)N2CCOc3ccc(Cl)cc32)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)C(=O)N1CCOc2ccc(Cl)cc21)[*:1]
Cc1nnc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)s1 Cc1nnc(s1)[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)N[*:1]
Cc1nnc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nnc(NC(=O)c2ccc3c(c2)nc(C)n3[*:1])s1
CC[C@H]([NH3+])c1ccn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CC[C@H]([NH3+])c1ccn(c1)C[*:1]
COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cccc(Br)c3)C2)c1 COc1cccc(c1)C[*:1] C[C@@]1(CCCN(C1)C(=O)Nc1cccc(Br)c1)C(=O)N[*:1]
COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cccc(Br)c3)C2)c1 Brc1cccc(c1)[*:1] COc1cccc(c1)CNC(=O)[C@@]1(C)CCCN(C1)C(=O)N[*:1]
COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cccc(Br)c3)C2)c1 COc1cccc(c1)[*:1] C[C@@]1(CCCN(C1)C(=O)Nc1cccc(Br)c1)C(=O)NC[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)SC2=NNNN2C(C)C)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@H](C)SC2=NNNN2C(C)C)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)SC2=NNNN2C(C)C)c1C CC(C)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)SC2=NNNN2[*:1])c1C
C[C@@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)[S@](C)=O C[S@](=O)[*:1] C[C@@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)[*:1]
O=C(c1ccccc1Cl)N1CCC[NH+](Cc2cccc3cn[nH]c23)CC1 Clc1ccccc1[*:1] O=C(N1CCC[NH+](CC1)Cc1cccc2cn[nH]c12)[*:1]
COc1ccc(C(=O)NCC(=O)N(C)Cc2ccccc2F)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)C(=O)NCC(=O)N(C)C[*:1]
COc1ccc(C(=O)NCC(=O)N(C)Cc2ccccc2F)cc1OC Fc1ccccc1C[*:1] COc1ccc(cc1OC)C(=O)NCC(=O)N(C)[*:1]
CCCn1nnc2cc(-c3cc([C@H]4CCOC4)c(C#N)c(N)n3)ccc21 CCC[*:1] N#Cc1c(cc(nc1N)-c1ccc2c(c1)nnn2[*:1])[C@H]1CCOC1
O=C(NCCn1cccc1)N1CCCC[C@H]1c1nc2ccccc2s1 c1ccn(c1)C[*:1] O=C(NC[*:1])N1CCCC[C@H]1c1nc2ccccc2s1
O=C(NCCn1cccc1)N1CCCC[C@H]1c1nc2ccccc2s1 c1ccn(c1)[*:1] O=C(NCC[*:1])N1CCCC[C@H]1c1nc2ccccc2s1
O=C(NCCn1cccc1)N1CCCC[C@H]1c1nc2ccccc2s1 c1ccn(c1)CC[*:1] O=C(N[*:1])N1CCCC[C@H]1c1nc2ccccc2s1
CC(C)(C)NC(=O)COc1cccc2c1NC(=O)CO2 CC(C)(C)[*:1] O=C1COc2cccc(OCC(=O)N[*:1])c2N1
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2cccc(OC(C)C)c2)n2nnnc2N1 Cc1cccc(c1)NC(=O)[*:1] CC1Nc2nnnn2[C@@H](C=1[*:1])c1cccc(c1)OC(C)C
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2cccc(OC(C)C)c2)n2nnnc2N1 CC(C)O[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)Nc1cccc(C)c1)c1cccc(c1)[*:1]
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2cccc(OC(C)C)c2)n2nnnc2N1 CC(C)[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)Nc1cccc(C)c1)c1cccc(c1)O[*:1]
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2cccc(OC(C)C)c2)n2nnnc2N1 Cc1cccc(c1)[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)N[*:1])c1cccc(c1)OC(C)C
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2cccc(OC(C)C)c2)n2nnnc2N1 CC(C)Oc1cccc(c1)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)Nc1cccc(C)c1)[*:1]
CO[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 O=[N+]([O-])[*:1] CO[C@@H]1CCCN(C1)C(=O)c1cccc(c1C)[*:1]
Cc1cc2nnc(S[C@H](C)C#N)n2c2ccccc12 C[C@H](C#N)S[*:1] Cc1cc2nnc(n2c2ccccc12)[*:1]
CCc1c(C)nc2cc(C3CCOCC3)nn2c1NCCC[NH+]1CCCCC1 C1CC(CCO1)[*:1] CCc1c(C)nc2cc(nn2c1NCCC[NH+]1CCCCC1)[*:1]
CC(C)(CCS(C)(=O)=O)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2 CS(=O)(=O)C[*:1] CC(C)(C[*:1])NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2
CC(C)(CCS(C)(=O)=O)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2 CS(=O)(=O)CC[*:1] CC(C)(NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)[*:1]
CC(C)(CCS(C)(=O)=O)NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2 CS(=O)(=O)[*:1] CC(C)(CC[*:1])NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2
Cc1n[nH]c([C@H](Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C(C)C)n1 c1ccc(cc1)[*:1] Cc1n[nH]c(n1)[C@H](Nc1nc2c(cnn2[*:1])c(=O)[nH]1)C(C)C
Cc1n[nH]c([C@H](Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C(C)C)n1 CC(C)[*:1] Cc1n[nH]c(n1)[C@H](Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[*:1]
COC(=O)c1ccccc1CS(=O)(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 COC(=O)[*:1] Cc1cn2C[C@@H](CCc2[nH+]1)NS(=O)(=O)Cc1ccccc1[*:1]
C[C@@H](c1ccccc1F)[S@](=O)Cc1nc2ccccc2n1C(F)F Fc1ccccc1[*:1] C[C@@H]([S@](=O)Cc1nc2ccccc2n1C(F)F)[*:1]
C[C@@H](c1ccccc1F)[S@](=O)Cc1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@@H](c1ccccc1F)[S@](=O)Cc1nc2ccccc2n1[*:1]
O=C(CS(=O)(=O)Cc1noc(-c2ccccc2Cl)n1)NCC1CCC1 Clc1ccccc1[*:1] O=C(CS(=O)(=O)Cc1noc(n1)[*:1])NCC1CCC1
O=C(CS(=O)(=O)Cc1noc(-c2ccccc2Cl)n1)NCC1CCC1 C1CC(C1)C[*:1] O=C(CS(=O)(=O)Cc1noc(n1)-c1ccccc1Cl)N[*:1]
O=C(CS(=O)(=O)Cc1noc(-c2ccccc2Cl)n1)NCC1CCC1 C1CC(C1)[*:1] O=C(CS(=O)(=O)Cc1noc(n1)-c1ccccc1Cl)NC[*:1]
O=C(CS(=O)(=O)Cc1noc(-c2ccccc2Cl)n1)NCC1CCC1 O=C(NCC1CCC1)[*:1] O=S(=O)(Cc1noc(n1)-c1ccccc1Cl)C[*:1]
COC(=O)c1csc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 COC(=O)[*:1] O=C(COc1cccc(c1)C(F)(F)F)Nc1cc(cs1)[*:1]
COC(=O)c1csc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] COC(=O)c1csc(c1)NC(=O)COc1cccc(c1)[*:1]
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1CCN(c2nc3ccccc3o2)CC1 c1ccc2oc(nc2c1)[*:1] O=C(Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1)C1CCN(CC1)[*:1]
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1CCN(c2nc3ccccc3o2)CC1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])C1CCN(CC1)c1nc2ccccc2o1
CCn1nc(C)c([C@H](C)Nc2nc(C)[nH+]c3c2CCN(C(C)=O)CC3)c1C CCn1nc(C)c(c1C)[*:1] CC(=O)N1CCc2[nH+]c(C)nc(N[C@@H](C)[*:1])c2CC1
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(CC(F)(F)F)c1 FC(F)(F)C[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(CC(F)(F)F)c1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)Nc1cccc(c1)CC(F)(F)F
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(CC(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(c1)C[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(CC(F)(F)F)c1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)Nc1cccc(c1)CC(F)(F)F)[*:1]
Nc1c2cnc(N3CCCC3)nc2nc(=O)n1-c1ccc(Cl)cc1 C1CCN(C1)[*:1] Nc1c2cnc(nc2nc(=O)n1-c1ccc(Cl)cc1)[*:1]
Nc1c2cnc(N3CCCC3)nc2nc(=O)n1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nc1c2cnc(nc2nc(=O)n1[*:1])N1CCCC1
CC(C)Cn1cc[nH+]c(N2CCN(c3ccc(F)cn3)CC2)c1=O Fc1ccc(nc1)[*:1] CC(C)Cn1cc[nH+]c(c1=O)N1CCN(CC1)[*:1]
CC(C)Cn1cc[nH+]c(N2CCN(c3ccc(F)cn3)CC2)c1=O CC(C)[*:1] O=c1c([nH+]ccn1C[*:1])N1CCN(CC1)c1ccc(F)cn1
CC(C)Cn1cc[nH+]c(N2CCN(c3ccc(F)cn3)CC2)c1=O CC(C)C[*:1] O=c1c([nH+]ccn1[*:1])N1CCN(CC1)c1ccc(F)cn1
CCC[NH2+]C1CCC([NH+](C)Cc2cc(C)nn2C)CC1 CCC[*:1] Cc1cc(C[NH+](C)C2CCC(CC2)[NH2+][*:1])n(C)n1
Cc1ccc(OCCNC(=O)[C@@H]2COc3ccccc3O2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])[C@@H]1COc2ccccc2O1
COc1ccc(NC(=O)Cc2noc3ccccc23)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)Cc2noc3ccccc23)c(c1)[*:1]
CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c1 CC(C)c1nccn1[*:1] O=C(Nc1cccc(c1)C[*:1])N[C@H]1CCCC[C@H]1CO
CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c1 CC(C)c1nccn1C[*:1] O=C(Nc1cccc(c1)[*:1])N[C@H]1CCCC[C@H]1CO
CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c1 CC(C)[*:1] O=C(Nc1cccc(c1)Cn1ccnc1[*:1])N[C@H]1CCCC[C@H]1CO
C/[NH+]=C(/NCc1nc(C)c(C)s1)N[C@@H]1CCN(c2ccccc2)C1 Cc1nc(sc1C)[*:1] C/[NH+]=C(/NC[*:1])N[C@@H]1CCN(C1)c1ccccc1
C/[NH+]=C(/NCc1nc(C)c(C)s1)N[C@@H]1CCN(c2ccccc2)C1 Cc1nc(C[*:1])sc1C C/[NH+]=C(\N[C@@H]1CCN(C1)c1ccccc1)N[*:1]
C/[NH+]=C(/NCc1nc(C)c(C)s1)N[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCc1nc(C)c(C)s1)N[C@@H]1CCN(C1)[*:1]
Cc1ccc(SCC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)CS[*:1]
Cc1ccc(SCC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)SCC(=O)Nc1ccc(C)c(c1)[*:1]
Cc1ccc(SCC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cc1 Cc1ccc(cc1)S[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)C[*:1]
Cc1cscc1C(=O)Nc1cc(Br)ccc1C(=O)[O-] O=C([O-])[*:1] Cc1cscc1C(=O)Nc1cc(Br)ccc1[*:1]
Cc1cscc1C(=O)Nc1cc(Br)ccc1C(=O)[O-] Cc1cscc1[*:1] O=C([O-])c1ccc(Br)cc1NC(=O)[*:1]
CC1(C)C[C@@H](N=C=S)CCO1 S=C=N[*:1] CC1(C)C[C@@H](CCO1)[*:1]
COc1cccc(-c2cc3c(N4CCc5ccccc5C4)nccn3n2)c1 COc1cccc(c1)[*:1] c1ccc2CN(CCc2c1)c1nccn2nc(cc12)[*:1]
Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1ccccc1C(=O)NC1CCN(CC1)C(=O)N[*:1]
Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1 Cc1ccccc1[*:1] O=C(Nc1ccccc1F)N1CCC(CC1)NC(=O)[*:1]
Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(-n4cncn4)c(F)c3)[nH]c(=O)c2c1C c1ncn(n1)[*:1] Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(c(F)c3)[*:1])[nH]c(=O)c2c1C
CC(C)(C)OC(=O)n1ncc2ccc(NC(=O)c3ccccc3N)cc21 CC(C)(C)[*:1] Nc1ccccc1C(=O)Nc1ccc2cnn(C(=O)O[*:1])c2c1
CC(C)(C)OC(=O)n1ncc2ccc(NC(=O)c3ccccc3N)cc21 Nc1ccccc1[*:1] CC(C)(C)OC(=O)n1ncc2ccc(cc21)NC(=O)[*:1]
CC(C)Nc1cccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 CC(C)[*:1] O=C(c1cccc(c1)N[*:1])N1C[C@@H]2CCCC[C@H]2C1
CC(C)Nc1cccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 CC(C)N[*:1] O=C(c1cccc(c1)[*:1])N1C[C@@H]2CCCC[C@H]2C1
CC[C@H](C)c1ccccc1OC(=O)Cc1csc(C)n1 Cc1nc(cs1)[*:1] CC[C@H](C)c1ccccc1OC(=O)C[*:1]
CC[C@H](C)c1ccccc1OC(=O)Cc1csc(C)n1 CC[C@H](C)[*:1] Cc1nc(cs1)CC(=O)Oc1ccccc1[*:1]
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c2ccccc12 Fc1ccc(cc1)[*:1] COc1ccc(/C=C(/C#N)C(=O)N[*:1])c2ccccc12
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cc(Cl)c(Cl)n2C)C1 O=C([O-])[*:1] CO[C@H]1C[C@H](N(C1)C(=O)c1cc(Cl)c(Cl)n1C)[*:1]
CC[C@@H](C(N)=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 CC[C@@H](C(N)=O)[*:1] CN(Cc1[nH+]ccn1Cc1ccccc1)[*:1]
CC[C@@H](C(N)=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H](C(N)=O)N(C)Cc1[nH+]ccn1[*:1]
CC[C@@H](C(N)=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 NC(=O)[*:1] CC[C@@H](N(C)Cc1[nH+]ccn1Cc1ccccc1)[*:1]
CC[C@@H](C(N)=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(N)=O)N(C)Cc1[nH+]ccn1C[*:1]
CCC[NH+]1CCC(N(C)C(=O)NCc2ccc3c(c2)OCCCO3)CC1 CCC[*:1] CN(C(=O)NCc1ccc2OCCCOc2c1)C1CC[NH+](CC1)[*:1]
CCn1cc[nH+]c1CCC[C@H](Br)c1ccccc1 c1ccc(cc1)[*:1] CCn1cc[nH+]c1CCC[C@H](Br)[*:1]
CCCCCNC(=O)N(C)CCc1ccccn1 c1ccc(nc1)[*:1] CCCCCNC(=O)N(C)CC[*:1]
CCCCCNC(=O)N(C)CCc1ccccn1 CCC[*:1] CN(CCc1ccccn1)C(=O)NCC[*:1]
CCCCCNC(=O)N(C)CCc1ccccn1 CCCCC[*:1] CN(CCc1ccccn1)C(=O)N[*:1]
CCCCCNC(=O)N(C)CCc1ccccn1 CCCC[*:1] CN(CCc1ccccn1)C(=O)NC[*:1]
Cc1nc2sc([C@@H](c3ccccc3Cl)N(C)Cc3ccccc3)c([O-])n2n1 c1ccc(cc1)[*:1] Cc1nc2sc(c([O-])n2n1)[C@@H](c1ccccc1Cl)N(C)C[*:1]
Cc1nc2sc([C@@H](c3ccccc3Cl)N(C)Cc3ccccc3)c([O-])n2n1 c1ccc(cc1)C[*:1] Cc1nc2sc(c([O-])n2n1)[C@@H](c1ccccc1Cl)N(C)[*:1]
Cc1nc2sc([C@@H](c3ccccc3Cl)N(C)Cc3ccccc3)c([O-])n2n1 Clc1ccccc1[*:1] Cc1nc2sc(c([O-])n2n1)[C@@H](N(C)Cc1ccccc1)[*:1]
Cc1nc2sc([C@@H](c3ccccc3Cl)N(C)Cc3ccccc3)c([O-])n2n1 CN(Cc1ccccc1)[*:1] Cc1nc2sc(c([O-])n2n1)[C@@H](c1ccccc1Cl)[*:1]
O=C(Cc1ccc(-c2ccsc2)cc1)N1CCC2(CC1)OCc1ccccc12 c1cc(cs1)[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCC2(CC1)OCc1ccccc12
CCC(CC)C(=O)N1CCC(c2nn(Cc3ccccc3)c(=O)n2CC)CC1 CCC(CC)[*:1] CCn1c(nn(Cc2ccccc2)c1=O)C1CCN(CC1)C(=O)[*:1]
CCC(CC)C(=O)N1CCC(c2nn(Cc3ccccc3)c(=O)n2CC)CC1 c1ccc(cc1)[*:1] CCC(CC)C(=O)N1CCC(CC1)c1nn(C[*:1])c(=O)n1CC
CCC(CC)C(=O)N1CCC(c2nn(Cc3ccccc3)c(=O)n2CC)CC1 c1ccc(cc1)C[*:1] CCC(CC)C(=O)N1CCC(CC1)c1nn(c(=O)n1CC)[*:1]
O=C(C[C@@H](O)c1ccccc1)NCC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)c1ccccc1)NCC(=O)N1CCN(CC1)[*:1]
O=C(C[C@@H](O)c1ccccc1)NCC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])NCC(=O)N1CCN(CC1)c1ccccc1
O=C(/C=C/c1ccc(F)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(C=C[*:1])N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1
O=C(/C=C/c1ccc(F)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 Fc1ccc(C=C[*:1])cc1 O=C(N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1)[*:1]
Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N3CCCC3)s2)cc1C O=C(N1CCCC1)[*:1] Cc1ccc(cc1C)Nc1nnc(S[C@@H](C)[*:1])s1
Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N3CCCC3)s2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](Sc1nnc(N[*:1])s1)C(=O)N1CCCC1
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccc(NCc2ccccc2)c(c1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1 c1ccc(cc1)CN[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc(C3CC3)no2)CC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1nc(no1)C1CC1
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc(C3CC3)no2)CC1 C1CC1c1noc(n1)[*:1] O=C(c1ccc(cc1)C(F)(F)F)N1CCN(CC1)[*:1]
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc(C3CC3)no2)CC1 C1CC1[*:1] O=C(c1ccc(cc1)C(F)(F)F)N1CCN(CC1)c1nc(no1)[*:1]
C[C@@H](OC(=O)c1ccncc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 NC(=O)[*:1] C[C@@H](OC(=O)c1ccncc1)C(=O)Nc1sc2CCCc2c1[*:1]
C[C@@H](OC(=O)c1ccncc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 c1cc(ccn1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1sc2CCCc2c1C(N)=O
C[C@@H](NC(=O)N1CCc2ccc(F)cc2[C@H]1C)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] C[C@@H](NC(=O)N1CCc2ccc(F)cc2[C@H]1C)c1nc(no1)[*:1]
Cc1cc(C(=O)N2CCCCC[C@H]2C[C@@H](C)O)no1 C[C@@H](O)[*:1] Cc1cc(no1)C(=O)N1CCCCC[C@H]1C[*:1]
Cc1cc(C(=O)N2CCCCC[C@H]2C[C@@H](C)O)no1 C[C@@H](O)C[*:1] Cc1cc(no1)C(=O)N1CCCCC[C@@H]1[*:1]
Cc1cc(C(=O)N2CCCCC[C@H]2C[C@@H](C)O)no1 Cc1cc(no1)[*:1] C[C@@H](O)C[C@@H]1CCCCCN1C(=O)[*:1]
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(C#N)c1 c1coc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)Nc1cccc(C#N)c1
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(C#N)c1 CC(C)[*:1] N#Cc1cccc(c1)NC(=O)[C@H](NC(=O)c1ccco1)[*:1]
CCN1C(=O)/C(=C/C=C2\Oc3ccc(-c4ccccc4)cc3N2CC)OC1=S c1ccc(cc1)[*:1] CCN1C(=O)/C(=C/C=C2\Oc3ccc(cc3N2CC)[*:1])OC1=S
COc1ccc2nc(NC(=O)NC[C@H](c3ccco3)[NH+](C)C)sc2c1 c1coc(c1)[*:1] COc1ccc2nc(NC(=O)NC[C@H]([NH+](C)C)[*:1])sc2c1
O=C(NCCc1c[nH]c2ccccc12)c1cc(F)ccc1NC(=O)N1CCCC1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])c1cc(F)ccc1NC(=O)N1CCCC1
O=C(NCCc1c[nH]c2ccccc12)c1cc(F)ccc1NC(=O)N1CCCC1 O=C(N[*:1])N1CCCC1 O=C(NCCc1c[nH]c2ccccc12)c1cc(F)ccc1[*:1]
Cc1ccc(NC(=O)c2ccoc2C)c([N+](=O)[O-])c1 Cc1occc1[*:1] Cc1ccc(NC(=O)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)c2ccoc2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)c2ccoc2C)c(c1)[*:1]
O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)c1ccc(cc1)S(=O)(=O)N[*:1]
CC/C=C(/C)C(=O)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)[*:1] CC/C=C(/C)C(=O)Nc1ccc(cc1)OC[*:1]
CC/C=C(/C)C(=O)Nc1ccc(OCC2CCOCC2)cc1 CCC=C(C)[*:1] O=C(Nc1ccc(cc1)OCC1CCOCC1)[*:1]
CC/C=C(/C)C(=O)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)C[*:1] CC/C=C(/C)C(=O)Nc1ccc(cc1)O[*:1]
CNC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1OC O=C([O-])[*:1] CNC(=O)c1cc(ccc1OC)S(=O)(=O)N1CCC(CC1)[*:1]
CNC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1OC CNC(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N1CCC(CC1)C(=O)[O-]
C/C(=C\C(=O)Nc1ccc(Cl)cn1)NNC(=O)COc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C/C(=C\C(=O)Nc1ccc(Cl)cn1)NNC(=O)CO[*:1]
C/C(=C\C(=O)Nc1ccc(Cl)cn1)NNC(=O)COc1ccc(Cl)cc1Cl Clc1ccc(nc1)[*:1] C/C(=C\C(=O)N[*:1])NNC(=O)COc1ccc(Cl)cc1Cl
C/C(=C\C(=O)Nc1ccc(Cl)cn1)NNC(=O)COc1ccc(Cl)cc1Cl Clc1ccc(O[*:1])c(Cl)c1 C/C(=C\C(=O)Nc1ccc(Cl)cn1)NNC(=O)C[*:1]
CSc1cccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)cn2)c1 CC(C)[*:1] CSc1cccc(c1)-c1ccc(cn1)C(=O)N1CCC[C@H](C1)C(=O)C[*:1]
CSc1cccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)cn2)c1 CC(C)CC(=O)[*:1] CSc1cccc(c1)-c1ccc(cn1)C(=O)N1CCC[C@@H](C1)[*:1]
CSc1cccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)cn2)c1 CSc1cccc(c1)[*:1] CC(C)CC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(nc1)[*:1]
CSc1cccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)cn2)c1 CC(C)C[*:1] CSc1cccc(c1)-c1ccc(cn1)C(=O)N1CCC[C@H](C1)C(=O)[*:1]
COc1cccc(-c2cc(=O)[nH]c(NCc3cccc(C(F)(F)F)c3)n2)c1 COc1cccc(c1)[*:1] O=c1cc(nc(NCc2cccc(c2)C(F)(F)F)[nH]1)[*:1]
COc1cccc(-c2cc(=O)[nH]c(NCc3cccc(C(F)(F)F)c3)n2)c1 FC(F)(F)[*:1] COc1cccc(c1)-c1cc(=O)[nH]c(n1)NCc1cccc(c1)[*:1]
COc1cc2c(cc1NC(=O)CN1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)oc1ccccc12 c1cc2OCOc2cc1[*:1] COc1cc2c(cc1NC(=O)CN1CC[NH+](CC1)C[*:1])oc1ccccc12
Cc1ccc(OCCCn2c(=O)oc(=O)c3cc(Br)ccc32)cc1C Cc1ccc(cc1C)[*:1] O=c1oc(=O)n(CCCO[*:1])c2ccc(Br)cc12
N#CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 N#CCNC(=O)[*:1] O=C(c1ccc(F)cc1)N1CCC(CC1)[*:1]
N#CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] N#CCNC(=O)C1CCN(CC1)C(=O)[*:1]
N#CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 N#CC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1
CC[C@@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)[*:1]
N#Cc1c(N)ccc([C@H](N)C(F)(F)F)c1F FC(F)(F)[*:1] N#Cc1c(N)ccc(c1F)[C@H](N)[*:1]
C[C@@H]1Cc2ccccc2N1CCNC(=O)c1cccc(-n2cccn2)n1 c1cnn(c1)[*:1] C[C@@H]1Cc2ccccc2N1CCNC(=O)c1cccc(n1)[*:1]
COc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])C(=O)N[C@H]1CCN(C1)c1ccc(F)cc1F
COc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])C(=O)N[C@H]1CCN(C1)c1ccc(F)cc1F
COc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1OC(F)F Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1OC(F)F)C(=O)N[C@H]1CCN(C1)[*:1]
O=S(=O)(/N=C(\[O-])c1ccccc1Cn1cncn1)N1CCCC1 c1ncn(n1)[*:1] O=S(=O)(/N=C(\[O-])c1ccccc1C[*:1])N1CCCC1
O=S(=O)(/N=C(\[O-])c1ccccc1Cn1cncn1)N1CCCC1 c1ncn(C[*:1])n1 O=S(=O)(/N=C(\[O-])c1ccccc1[*:1])N1CCCC1
CCO[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 CC(C)(C)NS(=O)(=O)[*:1] CCO[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(c1)[*:1]
CCO[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] CCO[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(c1)S(=O)(=O)N[*:1]
CCO[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 CCO[*:1] CC(C)(C)NS(=O)(=O)c1cc(ccc1F)NC(=O)[C@@H]1C[C@@H]1[*:1]
O=C(Nc1ccccc1F)c1nnc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 O=C(Nc1ccccc1F)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCC(CC1)c1nnc(s1)[*:1]
O=C(Nc1ccccc1F)c1nnc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 Fc1ccccc1[*:1] O=C(N[*:1])c1nnc(s1)C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(Nc1ccccc1F)c1nnc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1F)c1nnc(s1)C1CCN(CC1)S(=O)(=O)[*:1]
CCC(=O)N1CC[C@@H]([NH2+]Cc2c[nH]nc2C)[C@@H](CC)C1 Cc1n[nH]cc1[*:1] CCC(=O)N1CC[C@@H]([NH2+]C[*:1])[C@@H](CC)C1
CNC(=O)[C@@H](CC(C)C)NC(=O)CCc1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] CNC(=O)[C@@H](CC(C)C)NC(=O)CC[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)CCc1c(C)n[nH]c1C CNC(=O)[*:1] Cc1n[nH]c(C)c1CCC(=O)N[C@H](CC(C)C)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)CCc1c(C)n[nH]c1C CC(C)C[*:1] CNC(=O)[C@@H](NC(=O)CCc1c(C)n[nH]c1C)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)CCc1c(C)n[nH]c1C CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NC(=O)CCc1c(C)n[nH]c1C
COc1ccc(C(=O)Nc2c(O)cccc2F)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])C(=O)Nc1c(O)cccc1F
COc1ccc(C(=O)Nc2c(O)cccc2F)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])C(=O)Nc1c(O)cccc1F
COc1cccc(-c2c3c(=O)n(CCC[NH+](C)C)ccc3nc3ncnn23)c1 COc1cccc(c1)[*:1] C[NH+](C)CCCn1ccc2nc3ncnn3c(c2c1=O)[*:1]
c1cc(-c2nnn(Cc3noc(-c4ccsc4)n3)n2)cs1 c1cc(cs1)[*:1] c1cc(cs1)-c1nc(Cn2nnc(n2)[*:1])no1
c1cc(-c2nnn(Cc3noc(-c4ccsc4)n3)n2)cs1 c1cc(cs1)[*:1] c1cc(cs1)-c1nnn(Cc2noc(n2)[*:1])n1
CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)CC(C)(C)OC COC(C)(C)C[*:1] CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)[*:1]
CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)CC(C)(C)OC COC(C)(C)[*:1] CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)C[*:1]
CCCCCCOC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] CCCCC[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)OC[*:1]
CCCCCCOC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] CCCC[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)OCC[*:1]
CCCCCCOC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] CCC[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)OCCC[*:1]
CC[C@H](C)CS(=O)(=O)c1nnc([C@H]2COc3ccccc3O2)n1C CC[C@H](C)C[*:1] Cn1c(nnc1S(=O)(=O)[*:1])[C@H]1COc2ccccc2O1
CC[C@H](C)CS(=O)(=O)c1nnc([C@H]2COc3ccccc3O2)n1C CC[C@H](C)CS(=O)(=O)[*:1] Cn1c(nnc1[*:1])[C@H]1COc2ccccc2O1
CC[C@H](C)CS(=O)(=O)c1nnc([C@H]2COc3ccccc3O2)n1C CC[C@H](C)[*:1] Cn1c(nnc1S(=O)(=O)C[*:1])[C@H]1COc2ccccc2O1
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] N#Cc1ccccc1COc1cccc(c1)C(=O)N[*:1]
N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(F)cc2)c1 N#Cc1ccccc1[*:1] O=C(Nc1ccc(F)cc1)c1cccc(c1)OC[*:1]
COc1cccc(CN2CCc3c(cc(C(=O)N4CCOCC4)n3C)C2)c1 O=C(N1CCOCC1)[*:1] COc1cccc(c1)CN1CCc2c(cc(n2C)[*:1])C1
COc1cccc(CN2CCc3c(cc(C(=O)N4CCOCC4)n3C)C2)c1 COc1cccc(c1)C[*:1] Cn1c(cc2CN(CCc21)[*:1])C(=O)N1CCOCC1
COc1cccc(CN2CCc3c(cc(C(=O)N4CCOCC4)n3C)C2)c1 COc1cccc(c1)[*:1] Cn1c(cc2CN(CCc21)C[*:1])C(=O)N1CCOCC1
CCOC(=O)[C@H](C)n1c(CCl)nc2cc(Cl)c(Cl)cc21 CCOC(=O)[*:1] C[C@H](n1c(CCl)nc2cc(Cl)c(Cl)cc21)[*:1]
COC(=O)c1cc(NC(=O)c2cnn(C)c2C(F)(F)F)cc(C)c1C COC(=O)[*:1] Cc1cc(cc(c1C)[*:1])NC(=O)c1cnn(C)c1C(F)(F)F
COC(=O)c1cc(NC(=O)c2cnn(C)c2C(F)(F)F)cc(C)c1C FC(F)(F)[*:1] COC(=O)c1cc(cc(C)c1C)NC(=O)c1cnn(C)c1[*:1]
C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1cc(Cl)ccc1Cl c1coc(c1)C[*:1] C[C@@H](Sc1nnc(N[*:1])s1)C(=O)Nc1cc(Cl)ccc1Cl
C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1cc(Cl)ccc1Cl c1coc(c1)CN[*:1] C[C@@H](Sc1nnc(s1)[*:1])C(=O)Nc1cc(Cl)ccc1Cl
C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)N[*:1]
C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1cc(Cl)ccc1Cl c1coc(c1)[*:1] C[C@@H](Sc1nnc(NC[*:1])s1)C(=O)Nc1cc(Cl)ccc1Cl
CC(C)c1cccc(NC(=O)Nc2ccc(F)cc2)c1 CC(C)[*:1] O=C(Nc1ccc(F)cc1)Nc1cccc(c1)[*:1]
O=S1(=O)CCC(Sc2nnc(N3CCCC3)n2C2CC2)CC1 C1CC1[*:1] O=S1(=O)CCC(CC1)Sc1nnc(N2CCCC2)n1[*:1]
O=S1(=O)CCC(Sc2nnc(N3CCCC3)n2C2CC2)CC1 C1CCN(C1)[*:1] O=S1(=O)CCC(CC1)Sc1nnc(n1C1CC1)[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)Oc1cccnc1Br CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)Oc1cccnc1Br
Cc1nc2c(cnn2C(C)C)cc1C(=O)Oc1cccnc1Br Brc1ncccc1[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)O[*:1]
C[C@H](Nc1ncnc2nc(N)ccc12)c1ccc(N2C(=O)NC[C@@H]2C)cc1 C[C@H]1CNC(=O)N1[*:1] C[C@H](Nc1ncnc2nc(N)ccc12)c1ccc(cc1)[*:1]
COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3ccccc3)n2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1cc(-c2ccc(OC)c(c2)OC)n(n1)[*:1]
COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3ccccc3)n2)cc1OC COc1ccc(cc1OC)[*:1] COc1ccc(cc1OC)-c1cc(nn1-c1ccccc1)[*:1]
COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3ccccc3)n2)cc1OC COc1ccc(cc1OC)[*:1] COc1ccc(cc1OC)-c1cc(n(n1)-c1ccccc1)[*:1]
[NH3+]CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] [NH3+]CC(=O)Nc1ccc(F)cc1[*:1]
[NH3+]CC(=O)Nc1ccc(F)cc1[N+](=O)[O-] [NH3+]CC(=O)N[*:1] O=[N+]([O-])c1cc(F)ccc1[*:1]
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(Nc1ccc(Cl)c(c1)[N+](=O)[O-])N1CCO[C@@H](C1)[*:1]
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2F)C1 O=[N+]([O-])[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])N1CCO[C@H](C1)c1ccccc1F
CC(C)(C)CNC(=O)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 c1ccc(nc1)[*:1] CC(C)(C)CNC(=O)c1ccc(cc1)C(=O)[C@@H](C#N)[*:1]
CC(C)(C)CNC(=O)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 CC(C)(C)C[*:1] N#C[C@H](C(=O)c1ccc(cc1)C(=O)N[*:1])c1ccccn1
CC(C)(C)CNC(=O)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 CC(C)(C)CNC(=O)[*:1] N#C[C@H](C(=O)c1ccc(cc1)[*:1])c1ccccn1
CC(C)(C)CNC(=O)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 CC(C)(C)[*:1] N#C[C@H](C(=O)c1ccc(cc1)C(=O)NC[*:1])c1ccccn1
COC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)c1cccc(C)c1 COC(=O)[*:1] Cc1cccc(c1)C(=O)NC1=c2ccccc2=[NH+][C@@H]1[*:1]
COC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] COC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)[*:1]
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CCC3)ccc2C)cc1Cl O=C(N1CCC1)[*:1] COc1cc(OC)c(cc1Cl)NS(=O)(=O)c1cc(ccc1C)[*:1]
CCS(=O)(=O)CCn1ccc(NC(=O)c2ccccc2C)n1 CCS(=O)(=O)C[*:1] Cc1ccccc1C(=O)Nc1ccn(C[*:1])n1
CCS(=O)(=O)CCn1ccc(NC(=O)c2ccccc2C)n1 Cc1ccccc1[*:1] CCS(=O)(=O)CCn1ccc(n1)NC(=O)[*:1]
CCS(=O)(=O)CCn1ccc(NC(=O)c2ccccc2C)n1 CCS(=O)(=O)[*:1] Cc1ccccc1C(=O)Nc1ccn(CC[*:1])n1
CCS(=O)(=O)CCn1ccc(NC(=O)c2ccccc2C)n1 CCS(=O)(=O)CC[*:1] Cc1ccccc1C(=O)Nc1ccn(n1)[*:1]
O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(-c2nccs2)cc1 c1csc(n1)[*:1] O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(cc1)[*:1]
C=CCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O C=CCOC(=O)[*:1] Cc1ccccc1/C=C1\Oc2cc(cc(C)c2C1=O)OC[*:1]
C=CCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O Cc1ccccc1[*:1] C=CCOC(=O)COc1cc(C)c2C(=O)C(=C[*:1])Oc2c1
C=CCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O C=CCOC(=O)CO[*:1] Cc1ccccc1/C=C1\Oc2cc(cc(C)c2C1=O)[*:1]
C=CCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O C=CC[*:1] Cc1ccccc1/C=C1\Oc2cc(cc(C)c2C1=O)OCC(=O)O[*:1]
C=CCOC(=O)COc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O C=CCOC(=O)C[*:1] Cc1ccccc1/C=C1\Oc2cc(cc(C)c2C1=O)O[*:1]
c1cc2c(cc1OCc1nc(C3CC3)no1)OCO2 C1CC1[*:1] c1cc2OCOc2cc1OCc1nc(no1)[*:1]
C[NH2+]C/C(=C\c1ccc(OC)cc1)C(C)C CC(C)[*:1] C[NH2+]C/C(=C\c1ccc(cc1)OC)[*:1]
COc1ccc(/C(C)=N/N=C2/N=C(O)[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)S2)cc1 COc1ccc(cc1)[*:1] CC(=N/N=C1/N=C(O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S1)[*:1]
COc1ccc(/C(C)=N/N=C2/N=C(O)[C@@H](CC(=O)Nc3cccc(Cl)c3Cl)S2)cc1 Clc1cccc(c1Cl)[*:1] COc1ccc(cc1)/C(C)=N/N=C1/N=C(O)[C@@H](CC(=O)N[*:1])S1
CCCn1cc[nH+]c1[C@@H](N)C(C)(C)[NH+]1CCCC1 CCC[*:1] CC(C)([C@H](N)c1[nH+]ccn1[*:1])[NH+]1CCCC1
CC[C@H](C)[C@@H](C=O)NC(=O)OC(C)(C)C CC[C@H](C)[*:1] CC(C)(C)OC(=O)N[C@H](C=O)[*:1]
CC[C@H](C)[C@@H](C=O)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC[C@H](C)[C@@H](C=O)NC(=O)O[*:1]
CC(C)C[NH+](CC(=O)c1ccc(Cl)s1)C1CCCC1 Clc1ccc(s1)[*:1] CC(C)C[NH+](CC(=O)[*:1])C1CCCC1
CC(C)C[NH+](CC(=O)c1ccc(Cl)s1)C1CCCC1 CC(C)C[*:1] O=C(C[NH+](C1CCCC1)[*:1])c1ccc(Cl)s1
CC(C)C[NH+](CC(=O)c1ccc(Cl)s1)C1CCCC1 C1CCC(C1)[*:1] CC(C)C[NH+](CC(=O)c1ccc(Cl)s1)[*:1]
CC(C)C[NH+](CC(=O)c1ccc(Cl)s1)C1CCCC1 CC(C)[*:1] O=C(C[NH+](C[*:1])C1CCCC1)c1ccc(Cl)s1
CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(cc1)[*:1]
Cc1cc(NC(=O)COC(=O)c2cccc(N(C)C)c2)ccc1Br CN(C)[*:1] Cc1cc(ccc1Br)NC(=O)COC(=O)c1cccc(c1)[*:1]
Cc1cc(NC(=O)COC(=O)c2cccc(N(C)C)c2)ccc1Br Cc1cc(ccc1Br)[*:1] CN(C)c1cccc(c1)C(=O)OCC(=O)N[*:1]
CCCc1nc(C(=O)N[C@H](C)CC2CC2)n[nH]1 C1CC1[*:1] CCCc1nc(n[nH]1)C(=O)N[C@H](C)C[*:1]
CCCc1nc(C(=O)N[C@H](C)CC2CC2)n[nH]1 CCC[*:1] C[C@H](CC1CC1)NC(=O)c1n[nH]c(n1)[*:1]
CCCc1nc(C(=O)N[C@H](C)CC2CC2)n[nH]1 C1CC1C[*:1] CCCc1nc(n[nH]1)C(=O)N[C@H](C)[*:1]
N#Cc1c(-c2cccn2-c2ccncc2)cc(C2CC2)nc1N c1cc(ccn1)[*:1] N#Cc1c(cc(nc1N)C1CC1)-c1cccn1[*:1]
N#Cc1c(-c2cccn2-c2ccncc2)cc(C2CC2)nc1N C1CC1[*:1] N#Cc1c(cc(nc1N)[*:1])-c1cccn1-c1ccncc1
COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@H]1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OC)c1 COCC[*:1] COc1cccc(c1)[C@H]1C(C(=O)c2cc(C)ccc2C)=C([O-])C(=O)N1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OC)c1 Cc1ccc(C)c(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccc(c1)OC
COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(OC)c1 COC[*:1] COc1cccc(c1)[C@H]1C(C(=O)c2cc(C)ccc2C)=C([O-])C(=O)N1C[*:1]
CC1=NC(=O)[C@@H](c2noc(CCC(=O)Nc3ccccc3C)n2)C=C1 Cc1ccccc1[*:1] CC1C=C[C@@H](C(=O)N=1)c1noc(CCC(=O)N[*:1])n1
CCCOc1ccccc1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 CCCO[*:1] c1ccc(c(c1)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[*:1]
CCCOc1ccccc1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 CCC[*:1] c1ccc(O[*:1])c(c1)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1
C[C@H](O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] C[C@H](O)[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1ccc(cc1)-c1nnn[n-]1
C[C@H](O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](O)[C@H](NC(=O)c1ccc(cc1)-c1nnn[n-]1)[*:1]
O=C([O-])[C@H]1CSCN1C(=O)c1ccc2c(c1)OCCCO2 O=C([O-])[*:1] O=C(c1ccc2OCCCOc2c1)N1CSC[C@@H]1[*:1]
C#Cc1cccc(NC(=O)C(=O)NCCc2c[nH]c3cccc(C)c23)c1 C#Cc1cccc(c1)[*:1] Cc1cccc2[nH]cc(CCNC(=O)C(=O)N[*:1])c12
CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cncc(N)c2)C1 Nc1cncc(c1)[*:1] CN(C)C(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1ccc(cc1)-c1cccs1
CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cncc(N)c2)C1 CN(C)C(=O)[*:1] Nc1cncc(c1)C(=O)N1CCC[C@](Cc2ccc(cc2)-c2cccs2)(C1)[*:1]
CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cncc(N)c2)C1 c1csc(c1)[*:1] CN(C)C(=O)[C@]1(CCCN(C1)C(=O)c1cncc(N)c1)Cc1ccc(cc1)[*:1]
C/C(=C\C(=O)c1cccnc1)Nc1ccc(C)cc1C c1cncc(c1)[*:1] C/C(=C\C(=O)[*:1])Nc1ccc(C)cc1C
CCCC[S@@](=O)Cc1cc(=O)n2ccccc2n1 CCCC[*:1] O=c1cc(C[S@](=O)[*:1])nc2ccccn12
CCCC[S@@](=O)Cc1cc(=O)n2ccccc2n1 CCC[*:1] O=c1cc(C[S@](=O)C[*:1])nc2ccccn12
CN(CC[NH+]1CCCC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 NC(=O)[*:1] CN(CC[NH+]1CCCC1)[C@@H](c1ccc(C#N)cc1)[*:1]
O=C(Oc1cc(=O)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Oc1cc(=O)oc2ccccc12)c1ccc(cc1)[*:1]
CC(C)[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 CC(C)[C@@H](C)NC(=O)C[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)O[*:1])c2C1
CC(C)[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 CC(C)[C@@H](C)[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N[*:1])c2C1
CC(C)[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 CC(C)[C@@H](C)NC(=O)[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)OC[*:1])c2C1
CC(C)[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 CC(C)[*:1] C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N[C@H](C)[*:1])c2C1
COc1ccc(-c2c(C(C)=O)c(C)nc3sc(C#N)c(N)c23)cc1 CC(=O)[*:1] COc1ccc(cc1)-c1c(c(C)nc2sc(C#N)c(N)c12)[*:1]
COc1ccc(-c2c(C(C)=O)c(C)nc3sc(C#N)c(N)c23)cc1 COc1ccc(cc1)[*:1] CC(=O)c1c(C)nc2sc(C#N)c(N)c2c1[*:1]
CN(C[C@@H](O)C1CC1)C(=O)Nc1cccc(C2SCCS2)c1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)Nc1cccc(c1)C1SCCS1
CN(C[C@@H](O)C1CC1)C(=O)Nc1cccc(C2SCCS2)c1 C1CSC(S1)[*:1] CN(C[C@@H](O)C1CC1)C(=O)Nc1cccc(c1)[*:1]
Cc1n[nH]c(-c2ccc(OCC[NH+]3CCC(C(N)=O)CC3)cc2O)c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1n[nH]c(-c2ccc(cc2O)OCC[NH+]2CCC(CC2)C(N)=O)c1[*:1]
Cc1n[nH]c(-c2ccc(OCC[NH+]3CCC(C(N)=O)CC3)cc2O)c1-c1ccc(Cl)cc1 NC(=O)[*:1] Cc1n[nH]c(-c2ccc(cc2O)OCC[NH+]2CCC(CC2)[*:1])c1-c1ccc(Cl)cc1
C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)NCCOCCc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NCCOCC[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)NCCOCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NCCOC[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)NCCOCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NCCO[*:1]
N#Cc1ccncc1NCCNc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] N#Cc1ccncc1NCCNc1ccc(cc1)[*:1]
CC(C)c1nnc(NC(=O)CN[C@H](C2CCCC2)C(F)(F)F)o1 CC(C)[*:1] O=C(CN[C@H](C1CCCC1)C(F)(F)F)Nc1nnc(o1)[*:1]
CC(C)c1nnc(NC(=O)CN[C@H](C2CCCC2)C(F)(F)F)o1 FC(F)(F)[*:1] CC(C)c1nnc(NC(=O)CN[C@H](C2CCCC2)[*:1])o1
CC(C)c1nnc(NC(=O)CN[C@H](C2CCCC2)C(F)(F)F)o1 C1CCC(C1)[*:1] CC(C)c1nnc(NC(=O)CN[C@H](C(F)(F)F)[*:1])o1
C[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccsc1 C[C@@H](c1ccsc1)[*:1] O=C(NC[*:1])C1(CC1)c1ccc(F)cc1
C[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccsc1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)C1(CC1)[*:1])c1ccsc1
C[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)C1(CC1)c1ccc(F)cc1)[*:1]
COCC[NH2+]Cc1ncoc1[C@@H]1CCCOC1 COCC[*:1] c1nc(C[NH2+][*:1])c(o1)[C@@H]1CCCOC1
COCC[NH2+]Cc1ncoc1[C@@H]1CCCOC1 COC[*:1] c1nc(C[NH2+]C[*:1])c(o1)[C@@H]1CCCOC1
CC(C)CSCC(=O)Nc1cccnc1 CC(C)CS[*:1] O=C(C[*:1])Nc1cccnc1
CC(C)CSCC(=O)Nc1cccnc1 CC(C)C[*:1] O=C(CS[*:1])Nc1cccnc1
CC(C)CSCC(=O)Nc1cccnc1 CC(C)[*:1] O=C(CSC[*:1])Nc1cccnc1
COC(=O)[C@@H]1CN(C[C@@H]2CCCO2)CCC1=O COC(=O)[*:1] O=C1CCN(C[C@@H]2CCCO2)C[C@H]1[*:1]
COC(=O)[C@@H]1CN(C[C@@H]2CCCO2)CCC1=O C1CO[C@@H](C1)[*:1] COC(=O)[C@@H]1CN(CCC1=O)C[*:1]
[NH3+]CC1([C@H](O)C(=O)[O-])Cc2ccccc2C1 O=C([O-])[*:1] [NH3+]CC1(Cc2ccccc2C1)[C@H](O)[*:1]
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3nc(N4CCOCC4)sc3c1)C2=O C1CN(CCO1)[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3nc(sc3c1)[*:1])C2=O
N#Cc1cccc(C(=O)N2CCN(Cc3noc(-c4cccc(Cl)c4)n3)CC2)c1 Clc1cccc(c1)[*:1] N#Cc1cccc(c1)C(=O)N1CCN(CC1)Cc1noc(n1)[*:1]
N#Cc1cccc(C(=O)N2CCN(Cc3noc(-c4cccc(Cl)c4)n3)CC2)c1 N#Cc1cccc(c1)[*:1] O=C(N1CCN(CC1)Cc1noc(n1)-c1cccc(Cl)c1)[*:1]
Cc1cccc(C(=O)NC2CC2)n1 C1CC1[*:1] Cc1cccc(n1)C(=O)N[*:1]
Cc1ccccc1C[NH2+]Cc1cc2ccccc2[nH]c1=O Cc1ccccc1[*:1] O=c1[nH]c2ccccc2cc1C[NH2+]C[*:1]
Cc1nnc(CSc2nnc(N3CCOCC3)n2-c2ccccc2C)o1 Cc1nnc(o1)[*:1] Cc1ccccc1-n1c(nnc1N1CCOCC1)SC[*:1]
Cc1nnc(CSc2nnc(N3CCOCC3)n2-c2ccccc2C)o1 C1CN(CCO1)[*:1] Cc1nnc(CSc2nnc(n2-c2ccccc2C)[*:1])o1
Cc1nnc(CSc2nnc(N3CCOCC3)n2-c2ccccc2C)o1 Cc1ccccc1[*:1] Cc1nnc(CSc2nnc(N3CCOCC3)n2[*:1])o1
Cc1nnc(CSc2nnc(N3CCOCC3)n2-c2ccccc2C)o1 Cc1nnc(CS[*:1])o1 Cc1ccccc1-n1c(nnc1[*:1])N1CCOCC1
Cc1nnc(CSc2nnc(N3CCOCC3)n2-c2ccccc2C)o1 Cc1nnc(C[*:1])o1 Cc1ccccc1-n1c(nnc1N1CCOCC1)S[*:1]
COc1ccc2c(=O)c(C(=O)N3CCN(c4cccc(C)c4)CC3)c[nH]c2c1 Cc1cccc(c1)[*:1] COc1ccc2c(=O)c(c[nH]c2c1)C(=O)N1CCN(CC1)[*:1]
Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N(C)Cc1ccco1 O=C1CCCN1[*:1] Cc1cc(ccc1S(=O)(=O)N(C)Cc1ccco1)[*:1]
Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N(C)Cc1ccco1 c1coc(c1)C[*:1] Cc1cc(ccc1S(=O)(=O)N(C)[*:1])N1CCCC1=O
Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N(C)Cc1ccco1 c1coc(c1)[*:1] Cc1cc(ccc1S(=O)(=O)N(C)C[*:1])N1CCCC1=O
Cc1ccc2ncc(C(=O)NC3CCCCC3)n2c1 C1CCC(CC1)[*:1] Cc1ccc2ncc(C(=O)N[*:1])n2c1
CCOC[C@H]([NH3+])CSC(C)(C)C CCOC[*:1] CC(C)(C)SC[C@@H]([NH3+])[*:1]
CCOC[C@H]([NH3+])CSC(C)(C)C CC(C)(C)[*:1] CCOC[C@H]([NH3+])CS[*:1]
CCOC[C@H]([NH3+])CSC(C)(C)C CCO[*:1] CC(C)(C)SC[C@@H]([NH3+])C[*:1]
CC(=O)Nc1nnc(CCOc2ccc(Cl)cc2)s1 CC(=O)N[*:1] Clc1ccc(cc1)OCCc1nnc(s1)[*:1]
Cn1c(SCc2noc(-c3ccccc3)n2)nc2ccsc2c1=O c1ccc(cc1)[*:1] Cn1c(nc2ccsc2c1=O)SCc1noc(n1)[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc2c(s1)-c1ccccc1CC2 c1ncn(n1)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)c1cc2CCc3ccccc3-c2s1
O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)NCc2ccccc2)C(=O)N1c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)NC[*:1])C(=O)N1c1ccc(F)cc1
O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)NCc2ccccc2)C(=O)N1c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)N[*:1])C(=O)N1c1ccc(F)cc1
O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)NCc2ccccc2)C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)NCc2ccccc2)C(=O)N1[*:1]
O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)NCc2ccccc2)C(=O)N1c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C1C[C@H](SC(=N[*:1])NCc2ccccc2)C(=O)N1c1ccc(F)cc1
C#CCN1CCC(Oc2ccnc(C(N)=O)c2)CC1 NC(=O)[*:1] C#CCN1CCC(CC1)Oc1ccnc(c1)[*:1]
C#CCN1CCC(Oc2ccnc(C(N)=O)c2)CC1 C#CC[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)[*:1]
O=C(CCn1c(=O)oc2ccccc21)NNc1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1c(=O)oc2ccccc21)NN[*:1]
CC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)ON5C(=O)CCC5=O)CC[C@]4(C)[C@@H]3CC[C@]12C O=C1CCC(=O)N1OC(=O)[*:1] CC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C/C(CC[C@]4(C)[C@@H]3CC[C@]12C)=N/OC[*:1]
CC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)ON5C(=O)CCC5=O)CC[C@]4(C)[C@@H]3CC[C@]12C CC(=O)[*:1] C[C@]12CC[C@@H]3[C@H](CCC4=C/C(CC[C@@]43C)=N/OCC(=O)ON3C(=O)CCC3=O)[C@H]1CC[C@@H]2[*:1]
CC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)ON5C(=O)CCC5=O)CC[C@]4(C)[C@@H]3CC[C@]12C O=C(C[*:1])ON1C(=O)CCC1=O CC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C/C(CC[C@]4(C)[C@@H]3CC[C@]12C)=N/O[*:1]
Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n(-c2ccc(C(F)(F)F)cn2)n1 FC(F)(F)[*:1] Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n(n1)-c1ccc(cn1)[*:1]
Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n(-c2ccc(C(F)(F)F)cn2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@@H]2C[C@H]2[*:1])n(n1)-c1ccc(cn1)C(F)(F)F
CC(C)OCCN1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1 CC(C)OC[*:1] O=C(c1cc(F)cc2[nH]cnc12)N1CCN(CC1)C[*:1]
CC(C)OCCN1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1 CC(C)[*:1] O=C(c1cc(F)cc2[nH]cnc12)N1CCN(CCO[*:1])CC1
CC(C)OCCN1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1 CC(C)OCC[*:1] O=C(c1cc(F)cc2[nH]cnc12)N1CCN(CC1)[*:1]
CC(C)OCCN1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1 CC(C)O[*:1] O=C(c1cc(F)cc2[nH]cnc12)N1CCN(CC1)CC[*:1]
COc1nc2c(cc1C(=O)N[C@H]1CC(=O)N(Cc3cccc(F)c3)C1)CCC2 Fc1cccc(c1)[*:1] COc1nc2CCCc2cc1C(=O)N[C@H]1CC(=O)N(C1)C[*:1]
COc1nc2c(cc1C(=O)N[C@H]1CC(=O)N(Cc3cccc(F)c3)C1)CCC2 Fc1cccc(c1)C[*:1] COc1nc2CCCc2cc1C(=O)N[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(C)cc1NC(=O)CS(=O)(=O)Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)CS(=O)(=O)C[*:1]
COc1ccc(C)cc1NC(=O)CS(=O)(=O)Cc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(C)cc1NC(=O)CS(=O)(=O)[*:1]
COC(=O)CCn1cccc1[C@@H](C)O C[C@@H](O)[*:1] COC(=O)CCn1cccc1[*:1]
COC(=O)CCn1cccc1[C@@H](C)O COC(=O)[*:1] C[C@@H](O)c1cccn1CC[*:1]
CCN(CC)C(=O)C[NH+]1CCCN(C(=O)c2cccc(Cl)c2Cl)CC1 Clc1cccc(c1Cl)[*:1] CCN(CC)C(=O)C[NH+]1CCCN(CC1)C(=O)[*:1]
CCN(CC)C(=O)C[NH+]1CCCN(C(=O)c2cccc(Cl)c2Cl)CC1 CCN(CC)C(=O)[*:1] O=C(c1cccc(Cl)c1Cl)N1CCC[NH+](CC1)C[*:1]
CCN(CC)C(=O)C[NH+]1CCCN(C(=O)c2cccc(Cl)c2Cl)CC1 CCN(CC)C(=O)C[*:1] O=C(c1cccc(Cl)c1Cl)N1CCC[NH+](CC1)[*:1]
COc1cccc(OCc2ccc(C(N)=O)cc2N)c1 NC(=O)[*:1] COc1cccc(c1)OCc1ccc(cc1N)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1 CCOC(=O)[*:1] CC(=O)N1C[C@H](Oc2ccccc21)C(=O)Nc1ccc(C=C[*:1])cc1
CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1 CCOC(=O)C=C[*:1] CC(=O)N1C[C@H](Oc2ccccc21)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C(=O)N1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](C(=O)N1CC[C@@H](O)C1)c1cccc(c1)[*:1]
CS(=O)(=O)CCCNC(=O)NCC1(c2ccc(Cl)cc2)CC1 CS(=O)(=O)C[*:1] O=C(NCC[*:1])NCC1(CC1)c1ccc(Cl)cc1
CS(=O)(=O)CCCNC(=O)NCC1(c2ccc(Cl)cc2)CC1 CS(=O)(=O)CC[*:1] O=C(NCC1(CC1)c1ccc(Cl)cc1)NC[*:1]
CS(=O)(=O)CCCNC(=O)NCC1(c2ccc(Cl)cc2)CC1 CS(=O)(=O)CCC[*:1] O=C(NCC1(CC1)c1ccc(Cl)cc1)N[*:1]
CS(=O)(=O)CCCNC(=O)NCC1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CS(=O)(=O)CCCNC(=O)NCC1(CC1)[*:1]
CS(=O)(=O)CCCNC(=O)NCC1(c2ccc(Cl)cc2)CC1 CS(=O)(=O)[*:1] O=C(NCCC[*:1])NCC1(CC1)c1ccc(Cl)cc1
C=CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(F)cc1)C1=C(COC1=O)N2 C=CC[*:1] O=C1OCC2Nc3c(c(=O)[nH]c(=O)n3[*:1])[C@H](C=21)c1ccc(F)cc1
C=CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(F)cc1)C1=C(COC1=O)N2 Fc1ccc(cc1)[*:1] C=CCn1c2NC3COC(=O)C=3[C@H](c2c(=O)[nH]c1=O)[*:1]
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1I Ic1ccccc1[*:1] O=C(NC(=S)Nc1ccc(cc1O)[N+](=O)[O-])[*:1]
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1I O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccc(cc1O)[*:1])c1ccccc1I
Cc1cc2oc(=O)cc(CNC(=O)Cc3ccccc3)c2cc1Cl c1ccc(cc1)C[*:1] Cc1cc2oc(=O)cc(CNC(=O)[*:1])c2cc1Cl
Cc1cc2oc(=O)cc(CNC(=O)Cc3ccccc3)c2cc1Cl c1ccc(cc1)[*:1] Cc1cc2oc(=O)cc(CNC(=O)C[*:1])c2cc1Cl
NC(=O)c1ccc(CNC(=O)c2cccc(-c3ccoc3)c2)o1 NC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])c1cccc(c1)-c1ccoc1
NC(=O)c1ccc(CNC(=O)c2cccc(-c3ccoc3)c2)o1 c1cc(co1)[*:1] NC(=O)c1ccc(CNC(=O)c2cccc(c2)[*:1])o1
COc1ccccc1CN1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 CC(=O)N[*:1] COc1ccccc1CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccccc1CN1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 COc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1]
COc1ccccc1CN1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 COc1ccccc1C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)C(=O)NCCc2ccccn2)cc1C c1ccc(C[*:1])nc1 Cc1ccc(cc1C)NC(=O)C(=O)NC[*:1]
Cc1ccc(NC(=O)C(=O)NCCc2ccccn2)cc1C c1ccc(nc1)[*:1] Cc1ccc(cc1C)NC(=O)C(=O)NCC[*:1]
CCN(CCO)C(=O)N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCN(CCO)C(=O)N[C@H](c1cccnc1)c1cccc(c1)[*:1]
CCN(CCO)C(=O)N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 OCC[*:1] CCN(C(=O)N[C@H](c1cccnc1)c1cccc(c1)C(F)(F)F)[*:1]
CCN(CCO)C(=O)N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 c1cncc(c1)[*:1] CCN(CCO)C(=O)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
CCC[NH2+]C[C@@H]1CCCO[C@H]1C CCC[*:1] C[C@@H]1OCCC[C@H]1C[NH2+][*:1]
CCOc1ccc(NC(=S)N2C[C@@H](C)O[C@H](C)C2)cc1 CCO[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=S)Nc1ccc(cc1)[*:1]
CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1 CCOc1ccc(cc1)[*:1] CC1OC(N)=C(C#N)[C@@H](C=1C(=O)OCc1ccccc1)[*:1]
CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1 CCO[*:1] CC1OC(N)=C(C#N)[C@@H](C=1C(=O)OCc1ccccc1)c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1C(C#N)=C(N)OC(C)=C1C(=O)OC[*:1]
CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)[C@H]1C(C#N)=C(N)OC(C)=C1C(=O)O[*:1]
CC(=O)NN[C@@H](C)[C@@H]1COc2ccccc2O1 CC(=O)NN[*:1] C[C@@H]([C@@H]1COc2ccccc2O1)[*:1]
CN(CCCS(C)(=O)=O)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F CS(=O)(=O)CCC[*:1] CN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)[*:1]
CN(CCCS(C)(=O)=O)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F
CN(CCCS(C)(=O)=O)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F
CN(CCCS(C)(=O)=O)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F
CC(C)(C)C(=O)NCCCc1cc(N)n(-c2ccccc2)n1 CC(C)(C)C(=O)N[*:1] Nc1cc(CCC[*:1])nn1-c1ccccc1
CC(C)(C)C(=O)NCCCc1cc(N)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)NCCCc1cc(N)n(n1)[*:1]
CC(C)(C)C(=O)NCCCc1cc(N)n(-c2ccccc2)n1 CC(C)(C)[*:1] Nc1cc(CCCNC(=O)[*:1])nn1-c1ccccc1
CCc1ccc(Oc2nccn(CC)c2=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCc1ccc(Oc2nccn(CC)c2=O)c(c1)[*:1]
CN(C)C(=O)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 CN(C)C(=O)[*:1] O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(cc1)[*:1]
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccccc3)C2=O)cc1 O=C(Nc1ccccc1)[*:1] COc1ccc(cc1)CN1C(=O)N[C@@H](CC[*:1])C1=O
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CN1C(=O)N[C@@H](CCC(=O)N[*:1])C1=O
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccccc3)C2=O)cc1 COc1ccc(cc1)C[*:1] O=C(CC[C@@H]1NC(=O)N(C1=O)[*:1])Nc1ccccc1
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccccc3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C(CC[C@@H]1NC(=O)N(C[*:1])C1=O)Nc1ccccc1
O=C(NCC[C@H](O)c1ccoc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[C@H](O)c1ccoc1)C(=O)N[*:1]
O=C(NCC[C@H](O)c1ccoc1)C(=O)Nc1ccccc1 c1cc(co1)[*:1] O=C(NCC[C@H](O)[*:1])C(=O)Nc1ccccc1
O=C(C[NH+]1CCN(C(=O)c2cccs2)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)c1cccs1)NC[*:1]
O=C(C[NH+]1CCN(C(=O)c2cccs2)CC1)NCc1ccccc1 c1csc(c1)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)[*:1])NCc1ccccc1
O=C(C[NH+]1CCN(C(=O)c2cccs2)CC1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[NH+]1CCN(CC1)C(=O)c1cccs1)N[*:1]
COCCS(=O)(=O)[N-]c1cc(Br)c(=O)n(C)c1 COCC[*:1] Cn1cc(cc(Br)c1=O)[N-]S(=O)(=O)[*:1]
COCCS(=O)(=O)[N-]c1cc(Br)c(=O)n(C)c1 COC[*:1] Cn1cc(cc(Br)c1=O)[N-]S(=O)(=O)C[*:1]
COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC(C)(C)C CC(C)(C)[*:1] COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)N[*:1]
COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C[*:1]
COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC(C)(C)C COC(=O)[*:1] CN(CC(=O)NC(C)(C)C)[C@H](c1ccc(Cl)c(Cl)c1)[*:1]
O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(F)cc1 c1cnc(cn1)[*:1] O=C(Nc1cccc(c1)O[*:1])c1ccc(F)cc1
O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)Oc1cnccn1)[*:1]
O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(F)cc1 c1cnc(cn1)O[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(F)cc1
Cc1cnc(C(=O)N[C@H](c2cccs2)C2CCCC2)cn1 c1csc(c1)[*:1] Cc1cnc(cn1)C(=O)N[C@H](C1CCCC1)[*:1]
Cc1cnc(C(=O)N[C@H](c2cccs2)C2CCCC2)cn1 C1CCC(C1)[*:1] Cc1cnc(cn1)C(=O)N[C@H](c1cccs1)[*:1]
Cc1cnc(C(=O)N[C@H](c2cccs2)C2CCCC2)cn1 Cc1cnc(cn1)[*:1] O=C(N[C@H](c1cccs1)C1CCCC1)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)C=C(C2CC2)C2CC2)c1 C1CC1[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)C=C(C1CC1)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)C=C(C2CC2)C2CC2)c1 CN(C)C(=O)[*:1] O=C(C=C(C1CC1)C1CC1)Nc1cc(ccc1F)[*:1]
Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)NC(=O)c1ccc(c(O)c1)[*:1]
Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])c1ccc(c(O)c1)[N+](=O)[O-]
CC(C)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 CC(C)[*:1] O=C1c2ccccc2C(=O)N1c1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 CC(C)NS(=O)(=O)[*:1] O=C1c2ccccc2C(=O)N1c1ccc(cc1)[*:1]
O=C([O-])Cc1c[nH]c(=O)n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] O=C([O-])Cc1c[nH]c(=O)n(C[*:1])c1=O
O=C([O-])Cc1c[nH]c(=O)n(Cc2ccccc2)c1=O O=C([O-])C[*:1] O=c1[nH]cc(c(=O)n1Cc1ccccc1)[*:1]
O=C([O-])Cc1c[nH]c(=O)n(Cc2ccccc2)c1=O O=C([O-])[*:1] O=c1[nH]cc(C[*:1])c(=O)n1Cc1ccccc1
C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccnc1 c1cncc(c1)[*:1] C[C@H]([NH2+][C@@H]1CCCN(C1)c1ccc(C#N)cc1F)[*:1]
O=C1C[C@@H](c2ccccc2C(F)(F)F)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 Clc1ccccc1[*:1] O=C1C[C@H](C2C(=O)C[C@@H](CC=2N1)[*:1])c1ccccc1C(F)(F)F
O=C1C[C@@H](c2ccccc2C(F)(F)F)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 FC(F)(F)[*:1] O=C1C[C@H](C2C(=O)C[C@H](CC=2N1)c1ccccc1Cl)c1ccccc1[*:1]
C=CCO[C@@H](C)C(=O)Nc1cc(F)ccc1OC C=CCO[C@@H](C)[*:1] COc1ccc(F)cc1NC(=O)[*:1]
C=CCO[C@@H](C)C(=O)Nc1cc(F)ccc1OC C=CC[*:1] COc1ccc(F)cc1NC(=O)[C@H](C)O[*:1]
C=CCO[C@@H](C)C(=O)Nc1cc(F)ccc1OC C=CCO[*:1] COc1ccc(F)cc1NC(=O)[C@H](C)[*:1]
CN(C)N1C(N)=C(C#N)[C@H](c2ccc(C(C)(C)C)s2)C2=C1CC(C)(C)CC2=O CC(C)(C)[*:1] CN(C)N1C(N)=C(C#N)[C@@H](C2C(=O)CC(C)(C)CC=21)c1ccc(s1)[*:1]
CN(C)N1C(N)=C(C#N)[C@H](c2ccc(C(C)(C)C)s2)C2=C1CC(C)(C)CC2=O CC(C)(C)c1ccc(s1)[*:1] CN(C)N1C(N)=C(C#N)[C@H](C2C(=O)CC(C)(C)CC=21)[*:1]
CCCc1cc(N2CCC[C@H](O)CC2)n2nccc2n1 CCC[*:1] O[C@H]1CCCN(CC1)c1cc(nc2ccnn12)[*:1]
CCCCN(C(=O)N[C@H](c1ccccc1)C(C)C)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] CC(C)[C@H](NC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1])c1ccccc1
CCCCN(C(=O)N[C@H](c1ccccc1)C(C)C)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCN(C(=O)N[C@H](c1ccccc1)C(C)C)[*:1]
CCCCN(C(=O)N[C@H](c1ccccc1)C(C)C)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCCN(C(=O)N[C@H](C(C)C)[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@H](c1ccccc1)C(C)C)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] CCCCN(C(=O)N[C@H](c1ccccc1)[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@H](c1ccccc1)C(C)C)[C@H]1CCS(=O)(=O)C1 CCC[*:1] CC(C)[C@H](NC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1)c1ccccc1
CC1=C(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)c(Cl)c2)SCCO1 Fc1ccc(cc1)[*:1] CC1OCCSC=1C(=O)Nc1ccc(C(=O)NC[*:1])c(Cl)c1
CC1=C(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)c(Cl)c2)SCCO1 Fc1ccc(cc1)C[*:1] CC1OCCSC=1C(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
CCOC(=O)[C@H](C)NC(=O)c1ccc(-c2cscn2)cc1 CCOC(=O)[C@H](C)[*:1] O=C(N[*:1])c1ccc(cc1)-c1cscn1
CCOC(=O)[C@H](C)NC(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] CCOC(=O)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
CCOC(=O)[C@H](C)NC(=O)c1ccc(-c2cscn2)cc1 CCOC(=O)[*:1] C[C@H](NC(=O)c1ccc(cc1)-c1cscn1)[*:1]
C[C@@H](NC(=O)C[C@@H](O)c1cccc(F)c1)c1cccc(F)c1F Fc1cccc(c1)[*:1] C[C@@H](NC(=O)C[C@@H](O)[*:1])c1cccc(F)c1F
C#CCN(CC#C)C(=O)Cc1noc2ccccc12 C#CC[*:1] C#CCN(C(=O)Cc1noc2ccccc12)[*:1]
COc1ccc(/C=C/C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(/C=C/C(=O)NNC(=O)CNC(=O)[*:1])cc1
COc1ccc(/C=C/C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(C=C[*:1])NNC(=O)CNC(=O)C1CCCCC1
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc(C)c(C)c(C)c3C#N)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(SCC(=O)N2CCN(CC2)S(=O)(=O)[*:1])c(C#N)c(C)c1C
Cc1cccc(C)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1cccc(C)c1NC(=O)CSc1ccc(cc1)[*:1]
CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2OC)c1 COc1ccccc1C[*:1] CCOc1cccc(c1)NC(=O)C(=O)N1CCC[C@H]1[*:1]
CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2OC)c1 COc1ccccc1[*:1] CCOc1cccc(c1)NC(=O)C(=O)N1CCC[C@@H]1C[*:1]
CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2OC)c1 CCOc1cccc(c1)[*:1] COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)N[*:1]
CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cc2ccccc2OC)c1 CCO[*:1] COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(c1)[*:1]
CCN(CC(F)(F)F)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O FC(F)(F)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
CCN(CC(F)(F)F)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O FC(F)(F)C[*:1] CCN(S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@H]1C(=O)N[C@H](C)[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C[*:1])c1ccc(C#N)cc1
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](NC(=O)[C@@H]1CCC(=O)N1[*:1])c1ccc(C#N)cc1
CCCN1C(=O)CCc2cc(NC(=O)Cc3cccc(OC)c3)ccc21 COc1cccc(c1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)C[*:1]
CCCN1C(=O)CCc2cc(NC(=O)Cc3cccc(OC)c3)ccc21 CCC[*:1] COc1cccc(c1)CC(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
Cc1ccccc1C(=O)Nc1ccc2c(N3CCCC3)ncnc2c1 C1CCN(C1)[*:1] Cc1ccccc1C(=O)Nc1ccc2c(ncnc2c1)[*:1]
Cc1ccccc1C(=O)Nc1ccc2c(N3CCCC3)ncnc2c1 Cc1ccccc1[*:1] O=C(Nc1ccc2c(ncnc2c1)N1CCCC1)[*:1]
CCn1c([C@@H]2CCN(Cc3ccccc3C)C2)nc2cccnc21 Cc1ccccc1C[*:1] CCn1c(nc2cccnc21)[C@@H]1CCN(C1)[*:1]
CCn1c([C@@H]2CCN(Cc3ccccc3C)C2)nc2cccnc21 Cc1ccccc1[*:1] CCn1c(nc2cccnc21)[C@@H]1CCN(C1)C[*:1]
Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(N/C=C(\C#N)c2nc(cs2)-c2cccc(c2)[*:1])c(C)c1
Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] N#C/C(=C\N[*:1])c1nc(cs1)-c1cccc(c1)[N+](=O)[O-]
Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1cc(C)c(N/C=C(\C#N)c2nc(cs2)[*:1])c(C)c1
CCOc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1OCC c1cc2OCOc2cc1[*:1] CCOc1ccc(cc1OCC)C(=O)Nc1nnc(o1)[*:1]
CCOc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)Nc1nnc(o1)-c1ccc2OCOc2c1
CCOc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)Nc1nnc(o1)-c1ccc2OCOc2c1
N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])COCC(F)(F)F FC(F)(F)[*:1] N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])COC[*:1]
N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])COCC(F)(F)F FC(F)(F)COC[*:1] N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])[*:1]
N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])COCC(F)(F)F FC(F)(F)CO[*:1] N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])C[*:1]
N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])COCC(F)(F)F FC(F)(F)C[*:1] N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])CO[*:1]
C[C@@H]1C[NH+](Cc2cccnc2C(N)=S)C[C@H]1C NC(=S)[*:1] C[C@@H]1C[NH+](Cc2cccnc2[*:1])C[C@H]1C
CCCCNC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O CCCCNC(=O)[*:1] Cc1nc([nH]c(=O)c1C[*:1])-c1ccccn1
CCCCNC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O CCCC[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[*:1])-c1ccccn1
CCCCNC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O c1ccc(nc1)[*:1] CCCCNC(=O)Cc1c(C)nc([nH]c1=O)[*:1]
CCCCNC(=O)Cc1c(C)nc(-c2ccccn2)[nH]c1=O CCC[*:1] Cc1nc([nH]c(=O)c1CC(=O)NC[*:1])-c1ccccn1
CC[NH2+][C@@H](c1ccc(C)s1)[C@@H]1CN2CCC[C@@H]2CO1 Cc1ccc(s1)[*:1] CC[NH2+][C@@H]([C@@H]1CN2CCC[C@@H]2CO1)[*:1]
COCCNc1ncnc(Oc2cccc3ccc(C)nc23)c1[N+](=O)[O-] COC[*:1] Cc1ccc2cccc(Oc3ncnc(NC[*:1])c3[N+](=O)[O-])c2n1
COCCNc1ncnc(Oc2cccc3ccc(C)nc23)c1[N+](=O)[O-] COCC[*:1] Cc1ccc2cccc(Oc3ncnc(N[*:1])c3[N+](=O)[O-])c2n1
COCCNc1ncnc(Oc2cccc3ccc(C)nc23)c1[N+](=O)[O-] COCCN[*:1] Cc1ccc2cccc(Oc3ncnc(c3[N+](=O)[O-])[*:1])c2n1
COCCNc1ncnc(Oc2cccc3ccc(C)nc23)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COCCNc1ncnc(Oc2cccc3ccc(C)nc23)c1[*:1]
CC(C)NC(=O)CCCC(=O)Nc1ccc(Br)cc1C(C)C CC(C)[*:1] CC(C)c1cc(Br)ccc1NC(=O)CCCC(=O)N[*:1]
CC(C)NC(=O)CCCC(=O)Nc1ccc(Br)cc1C(C)C CC(C)[*:1] CC(C)NC(=O)CCCC(=O)Nc1ccc(Br)cc1[*:1]
CC(C)NC(=O)CCCC(=O)Nc1ccc(Br)cc1C(C)C CC(C)NC(=O)C[*:1] CC(C)c1cc(Br)ccc1NC(=O)CC[*:1]
CC(C)NC(=O)CCCC(=O)Nc1ccc(Br)cc1C(C)C CC(C)NC(=O)[*:1] CC(C)c1cc(Br)ccc1NC(=O)CCC[*:1]
COCc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1ccc(F)cc1 CC(C)OC(=O)[*:1] COCc1nn2c(C)c(nnc2c1-c1ccc(F)cc1)[*:1]
COCc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCc1nn2c(C)c(nnc2c1[*:1])C(=O)OC(C)C
COCc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1ccc(F)cc1 CC(C)[*:1] COCc1nn2c(C)c(nnc2c1-c1ccc(F)cc1)C(=O)O[*:1]
COCc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1ccc(F)cc1 COC[*:1] Cc1c(nnc2c(-c3ccc(F)cc3)c(nn12)[*:1])C(=O)OC(C)C
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cnccn1 c1cnc(cn1)[*:1] C[C@H](c1ccc(cc1)S(C)(=O)=O)N(C)C(=O)[*:1]
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cnccn1 CS(=O)(=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)c1cnccn1
COCCOc1cccc(NC(=O)c2ccc([S@](C)=O)cc2)c1 COC[*:1] C[S@](=O)c1ccc(cc1)C(=O)Nc1cccc(c1)OC[*:1]
COCCOc1cccc(NC(=O)c2ccc([S@](C)=O)cc2)c1 COCC[*:1] C[S@](=O)c1ccc(cc1)C(=O)Nc1cccc(c1)O[*:1]
COCCOc1cccc(NC(=O)c2ccc([S@](C)=O)cc2)c1 COCCO[*:1] C[S@](=O)c1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
Cn1c2ccc(Cl)cc2c2nnc(N/N=C/c3ccccc3)nc21 c1ccc(cc1)[*:1] Cn1c2ccc(Cl)cc2c2nnc(nc21)NN=C[*:1]
Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCC2(CC=CNC2=O)CC1 FC(F)[*:1] Cc1nn(c(C)c1S(=O)(=O)N1CCC2(CC=CNC2=O)CC1)[*:1]
C[C@H](SCc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H](C)O FC(F)(F)[*:1] C[C@H](SCc1nc(no1)-c1ccc(cc1)[*:1])[C@@H](C)O
C[C@H](SCc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](SCc1nc(no1)-c1ccc(cc1)C(F)(F)F)[*:1]
O=C(c1ccccc1OCc1cccc(Br)c1)N1CCC1 Brc1cccc(c1)[*:1] O=C(c1ccccc1OC[*:1])N1CCC1
O=C(c1ccccc1OCc1cccc(Br)c1)N1CCC1 O=C(N1CCC1)[*:1] Brc1cccc(c1)COc1ccccc1[*:1]
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3cccs3)C(C#N)=C(N)N2C1=O Cc1ccc(cc1C)[*:1] COC(=O)C[C@H]1SC2=C(C(=O)N[*:1])[C@H](C(C#N)=C(N)N2C1=O)c1cccs1
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3cccs3)C(C#N)=C(N)N2C1=O c1csc(c1)[*:1] COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](C(C#N)=C(N)N2C1=O)[*:1]
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3cccs3)C(C#N)=C(N)N2C1=O COC(=O)[*:1] Cc1ccc(cc1C)NC(=O)C1=C2S[C@H](C[*:1])C(=O)N2C(N)=C(C#N)[C@@H]1c1cccs1
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3cccs3)C(C#N)=C(N)N2C1=O Cc1ccc(cc1C)NC(=O)[*:1] COC(=O)C[C@H]1SC2=C([C@H](C(C#N)=C(N)N2C1=O)c1cccs1)[*:1]
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3cccs3)C(C#N)=C(N)N2C1=O COC(=O)C[*:1] Cc1ccc(cc1C)NC(=O)C1=C2S[C@@H](C(=O)N2C(N)=C(C#N)[C@@H]1c1cccs1)[*:1]
Cc1cccc([C@H](C)NC(=O)NC[C@@H](C)C[C@@H](C)O)c1C C[C@@H](O)C[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)NC[C@@H](C)[*:1]
Cc1cccc([C@H](C)NC(=O)NC[C@@H](C)C[C@@H](C)O)c1C C[C@@H](C[C@@H](C)O)C[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)N[*:1]
Cc1cccc([C@H](C)NC(=O)NC[C@@H](C)C[C@@H](C)O)c1C C[C@@H](O)[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)NC[C@@H](C)C[*:1]
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccs1 COc1ccc(cc1)[*:1] CCC(=O)N1c2ccccc2NC2C[C@@H](CC(=O)C=2[C@@H]1c1cccs1)[*:1]
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccs1 c1csc(c1)[*:1] CCC(=O)N1c2ccccc2NC2C[C@H](CC(=O)C=2[C@H]1[*:1])c1ccc(cc1)OC
C[C@@H]1C[C@H](NC(=O)COc2ccc(C(N)=O)cc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)COc1ccc(cc1)C(N)=O
C[C@@H]1C[C@H](NC(=O)COc2ccc(C(N)=O)cc2)CN1c1ccccc1 NC(=O)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)COc1ccc(cc1)[*:1]
C/C(CC(=O)NC(C)(C)C)=N\NC(=O)c1cccc(C)c1O CC(C)(C)NC(=O)[*:1] C/C(C[*:1])=N\NC(=O)c1cccc(C)c1O
C/C(CC(=O)NC(C)(C)C)=N\NC(=O)c1cccc(C)c1O CC(C)(C)[*:1] C/C(CC(=O)N[*:1])=N\NC(=O)c1cccc(C)c1O
C[NH+]1CCN(C(=O)c2cccc(NC(=O)COc3ccc(Br)cc3)c2)CC1 Brc1ccc(cc1)O[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)C[*:1]
C[NH+]1CCN(C(=O)c2cccc(NC(=O)COc3ccc(Br)cc3)c2)CC1 Brc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)CO[*:1]
C[NH+]1CCN(C(=O)c2cccc(NC(=O)COc3ccc(Br)cc3)c2)CC1 Brc1ccc(cc1)OC[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)[*:1]
CC[C@H](NC(=O)NCc1ccnc(OC)c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H](NC(=O)NCc1ccnc(c1)OC)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2ccc(N3CCCC3)nc2)C1 CC(C)(C)[*:1] O=C(NCC[C@@H]1CCCN(C1)C(=O)O[*:1])c1ccc(nc1)N1CCCC1
CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2ccc(N3CCCC3)nc2)C1 C1CCN(C1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)c2ccc(nc2)[*:1])C1
COC(=O)c1cccc(NCc2nccn2Cc2ccccc2)c1C c1ccc(cc1)C[*:1] COC(=O)c1cccc(NCc2nccn2[*:1])c1C
COC(=O)c1cccc(NCc2nccn2Cc2ccccc2)c1C c1ccc(cc1)[*:1] COC(=O)c1cccc(NCc2nccn2C[*:1])c1C
COC(=O)c1cccc(NCc2nccn2Cc2ccccc2)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NCc1nccn1Cc1ccccc1
CCC[NH2+][C@@]1(CO)CCC[C@H](Sc2nnc(C)n2C)C1 CCC[*:1] Cc1nnc(S[C@H]2CCC[C@@](CO)(C2)[NH2+][*:1])n1C
COCCn1ccc(NCc2ccc(-c3ccccc3Cl)s2)n1 Clc1ccccc1[*:1] COCCn1ccc(n1)NCc1ccc(s1)[*:1]
COCCn1ccc(NCc2ccc(-c3ccccc3Cl)s2)n1 COC[*:1] Clc1ccccc1-c1ccc(CNc2ccn(C[*:1])n2)s1
COCCn1ccc(NCc2ccc(-c3ccccc3Cl)s2)n1 COCC[*:1] Clc1ccccc1-c1ccc(CNc2ccn(n2)[*:1])s1
CCOC(=O)N1CCN([C@H](c2ccc(CC)cc2)c2sc3nc(CC)nn3c2O)CC1 CCc1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)[C@H](c1sc2nc(CC)nn2c1O)[*:1]
Fc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2cccn2-c2ncccn2)cc1 Fc1ccc(cc1)[*:1] c1cnc(nc1)-n1cccc1CN1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1[*:1]
Fc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2cccn2-c2ncccn2)cc1 c1cnc(nc1)[*:1] Fc1ccc(cc1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1Cc1cccn1[*:1]
CCc1ccccc1OC1CN(C(=O)COC[C@H]2CCCO2)C1 C1CO[C@H](C1)[*:1] CCc1ccccc1OC1CN(C1)C(=O)COC[*:1]
CCc1ccccc1OC1CN(C(=O)COC[C@H]2CCCO2)C1 C1CO[C@H](C1)C[*:1] CCc1ccccc1OC1CN(C1)C(=O)CO[*:1]
C[C@@H]1CN(CC(=O)NC2(c3ccccc3)CCC2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(CC(=O)NC2(CCC2)[*:1])C[C@@H](C)O1
C[C@@H](c1ccc(Cl)cc1)N1C[C@H](C(=O)[O-])CC1=O O=C([O-])[*:1] C[C@@H](c1ccc(Cl)cc1)N1C[C@H](CC1=O)[*:1]
O=C(CCl)c1ncc(Cl)cc1F O=C(CCl)[*:1] Fc1cc(Cl)cnc1[*:1]
CC(C)c1ccccc1NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)c1ccccc1NC(=O)NC[C@H]([C@@H]1CCOC1)[*:1]
CC(C)c1ccccc1NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 CC(C)[*:1] O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1ccccc1[*:1]
CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C)nc2Cl)C12CCCC2 Cc1ccc(c(Cl)n1)[*:1] CCO[C@@H]1C[C@@H](NC(=O)C(=O)N[*:1])C12CCCC2
CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C)nc2Cl)C12CCCC2 CCO[*:1] Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C23CCCC3)[*:1])c(Cl)n1
CN(Cc1nnc(C2CC2)n1C)C(=O)Nc1cccc(F)c1F C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)Nc1cccc(F)c1F
CCOc1ccc(N2CCn3c2nn(CC(=O)N2CCCCCC2)c(=O)c3=O)cc1 O=C(C[*:1])N1CCCCCC1 CCOc1ccc(cc1)N1CCn2c1nn(c(=O)c2=O)[*:1]
CCOc1ccc(N2CCn3c2nn(CC(=O)N2CCCCCC2)c(=O)c3=O)cc1 CCO[*:1] O=C(Cn1nc2N(CCn2c(=O)c1=O)c1ccc(cc1)[*:1])N1CCCCCC1
CCOc1ccc(N2CCn3c2nn(CC(=O)N2CCCCCC2)c(=O)c3=O)cc1 CCOc1ccc(cc1)[*:1] O=C(Cn1nc2N(CCn2c(=O)c1=O)[*:1])N1CCCCCC1
CCOc1ccc(N2CCn3c2nn(CC(=O)N2CCCCCC2)c(=O)c3=O)cc1 O=C(N1CCCCCC1)[*:1] CCOc1ccc(cc1)N1CCn2c1nn(C[*:1])c(=O)c2=O
CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)c1 CC(=O)c1cccc(c1)[*:1] O=S(=O)(Nc1ccccc1-c1nnc2CCCCCn21)[*:1]
CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)c1 CC(=O)[*:1] O=S(=O)(Nc1ccccc1-c1nnc2CCCCCn21)c1cccc(c1)[*:1]
SCCCCCCSc1ccc(Cl)cc1 SCCC[*:1] Clc1ccc(cc1)SCCC[*:1]
SCCCCCCSc1ccc(Cl)cc1 SCC[*:1] Clc1ccc(cc1)SCCCC[*:1]
SCCCCCCSc1ccc(Cl)cc1 SCCCC[*:1] Clc1ccc(cc1)SCC[*:1]
O=C([O-])[C@@H](Cc1cccs1)c1ccccc1 c1csc(c1)[*:1] O=C([O-])[C@@H](C[*:1])c1ccccc1
O=C([O-])[C@@H](Cc1cccs1)c1ccccc1 O=C([O-])[*:1] c1ccc(cc1)[C@H](Cc1cccs1)[*:1]
COc1ccc(/C=C/C2=N/C(=C\c3cc(OC)ccc3OC)C(=O)O2)cc1 COc1ccc(cc1)[*:1] COc1ccc(OC)c(/C=C2\N=C(\C=C[*:1])OC2=O)c1
COc1ccc(OC)c(CN2CC[NH+]([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c1 COc1ccc(OC)c(c1)[*:1] C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCN(CC1)C[*:1]
CS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2c(F)cccc2F)cc1 CS(=O)(=O)[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2c(F)cccc2F)cc1 Fc1cccc(F)c1[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)NC[C@H](O)[*:1]
Cc1ccc([C@H]2CCCN2C(=O)N[C@H](CCCO)c2ccccc2)s1 OCCC[*:1] Cc1ccc(s1)[C@H]1CCCN1C(=O)N[C@H](c1ccccc1)[*:1]
Cc1ccc([C@H]2CCCN2C(=O)N[C@H](CCCO)c2ccccc2)s1 Cc1ccc(s1)[*:1] O=C(N[C@H](CCCO)c1ccccc1)N1CCC[C@@H]1[*:1]
Cc1ccc([C@H]2CCCN2C(=O)N[C@H](CCCO)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)[C@H]1CCCN1C(=O)N[C@H](CCCO)[*:1]
Cc1ccc([C@H]2CCCN2C(=O)N[C@H](CCCO)c2ccccc2)s1 OCC[*:1] Cc1ccc(s1)[C@H]1CCCN1C(=O)N[C@H](C[*:1])c1ccccc1
C[C@@H]1CN(C)CCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(C)CCN1C(=O)c1ccn(n1)[*:1]
CCCc1ncc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cn1 Clc1ccc(cc1)[*:1] CCCc1ncc(cn1)C[NH2+]C1(CCC1)[*:1]
CCCc1ncc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cn1 CCC[*:1] Clc1ccc(cc1)C1(CCC1)[NH2+]Cc1cnc(nc1)[*:1]
c1ccc2c(c1)OC[C@H]2Cn1cncn1 c1ncn(n1)[*:1] c1ccc2c(c1)OC[C@H]2C[*:1]
CC(=O)NCCNC(=O)C(NC(=O)c1ccccc1)=C(Cl)Cl CC(=O)NC[*:1] O=C(NC[*:1])C(NC(=O)c1ccccc1)=C(Cl)Cl
CC(=O)NCCNC(=O)C(NC(=O)c1ccccc1)=C(Cl)Cl CC(=O)NCC[*:1] O=C(N[*:1])C(NC(=O)c1ccccc1)=C(Cl)Cl
CC(=O)NCCNC(=O)C(NC(=O)c1ccccc1)=C(Cl)Cl CC(=O)N[*:1] O=C(NCC[*:1])C(NC(=O)c1ccccc1)=C(Cl)Cl
CC(=O)NCCNC(=O)C(NC(=O)c1ccccc1)=C(Cl)Cl c1ccc(cc1)[*:1] CC(=O)NCCNC(=O)C(NC(=O)[*:1])=C(Cl)Cl
Cc1cc(C(F)(F)F)nc([C@@H]2COCCN2S(C)(=O)=O)n1 FC(F)(F)[*:1] Cc1cc(nc(n1)[C@@H]1COCCN1S(C)(=O)=O)[*:1]
CNC(=O)CCNc1nc(Cl)ncc1Cl CNC(=O)[*:1] Clc1ncc(Cl)c(n1)NCC[*:1]
CNC(=O)CCNc1nc(Cl)ncc1Cl CNC(=O)C[*:1] Clc1ncc(Cl)c(n1)NC[*:1]
COc1ccc(C(=O)N(C)C[C@@H](O)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)C(=O)N(C)C[C@@H](O)[*:1]
CCS(=O)(=O)[N-]c1ccc(N2CC[NH+](C)CC2)cc1C(=O)[O-] C[NH+]1CCN(CC1)[*:1] CCS(=O)(=O)[N-]c1ccc(cc1C(=O)[O-])[*:1]
CCS(=O)(=O)[N-]c1ccc(N2CC[NH+](C)CC2)cc1C(=O)[O-] O=C([O-])[*:1] CCS(=O)(=O)[N-]c1ccc(cc1[*:1])N1CC[NH+](C)CC1
CCS(=O)(=O)[N-]c1ccc(N2CC[NH+](C)CC2)cc1C(=O)[O-] CCS(=O)(=O)[N-][*:1] C[NH+]1CCN(CC1)c1ccc(c(c1)C(=O)[O-])[*:1]
O=C(NCC1(c2ccccc2)CC1)C(=O)Nc1ccccc1Br Brc1ccccc1[*:1] O=C(NCC1(CC1)c1ccccc1)C(=O)N[*:1]
O=C(NCC1(c2ccccc2)CC1)C(=O)Nc1ccccc1Br c1ccc(cc1)[*:1] O=C(NCC1(CC1)[*:1])C(=O)Nc1ccccc1Br
COc1cc2c(cc1NC(=O)c1cccc(NC(N)=O)c1)oc1ccccc12 NC(=O)N[*:1] COc1cc2c(cc1NC(=O)c1cccc(c1)[*:1])oc1ccccc12
CC(C)N1CCOC[C@H]1c1[nH]cc(-c2cccc(F)c2)[nH+]1 Fc1cccc(c1)[*:1] CC(C)N1CCOC[C@H]1c1[nH]cc([nH+]1)[*:1]
CC(C)N1CCOC[C@H]1c1[nH]cc(-c2cccc(F)c2)[nH+]1 CC(C)[*:1] Fc1cccc(c1)-c1c[nH]c([nH+]1)[C@@H]1COCCN1[*:1]
COC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O COC(=O)[*:1] O=c1oc2c(Br)cc(Cl)cc2cc1[*:1]
COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NC1CCCCCC1)[*:1]
COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 O=C(NC1CCCCCC1)[*:1] COc1ccc(cc1)N(C[*:1])S(=O)(=O)c1c(C)nn(C)c1C
COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 Cc1nn(C)c(C)c1[*:1] COc1ccc(cc1)N(CC(=O)NC1CCCCCC1)S(=O)(=O)[*:1]
COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 C1CCCC(CC1)[*:1] COc1ccc(cc1)N(CC(=O)N[*:1])S(=O)(=O)c1c(C)nn(C)c1C
CCN(C[C@H](C)C#N)C(=O)COc1ccc(-c2ccccc2)cc1Cl c1ccc(cc1)[*:1] CCN(C[C@H](C)C#N)C(=O)COc1ccc(cc1Cl)[*:1]
NC(=O)c1c(F)cccc1N1CCC[C@H](CC(=O)[O-])C1 O=C([O-])[*:1] NC(=O)c1c(F)cccc1N1CCC[C@@H](C1)C[*:1]
NC(=O)c1c(F)cccc1N1CCC[C@H](CC(=O)[O-])C1 O=C([O-])C[*:1] NC(=O)c1c(F)cccc1N1CCC[C@H](C1)[*:1]
NC(=O)c1c(F)cccc1N1CCC[C@H](CC(=O)[O-])C1 NC(=O)[*:1] O=C([O-])C[C@H]1CCCN(C1)c1cccc(F)c1[*:1]
CSc1nnc(S[C@@H]2CCN(c3ccccc3)C2=O)s1 c1ccc(cc1)[*:1] CSc1nnc(S[C@@H]2CCN(C2=O)[*:1])s1
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)C3CCC3)ccc21 CCC[*:1] CC1(C)COc2cc(ccc2N(C1=O)[*:1])NC(=O)C1CCC1
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)C3CCC3)ccc21 C1CC(C1)[*:1] CCCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)[*:1]
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)C3CCC3)ccc21 O=C(N[*:1])C1CCC1 CCCN1C(=O)C(C)(C)COc2cc(ccc21)[*:1]
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1ccncc1)C(=O)C2 c1cc(ccn1)C[*:1] CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N[*:1])C(=O)C2
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1ccncc1)C(=O)C2 c1cc(ccn1)[*:1] CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NC[*:1])C(=O)C2
C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(C)(C)CNC(=O)c1ccc(cc1F)[*:1]
O=C(NC(=S)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NC1CCCCC1)c1cc(ccc1Cl)NC(=S)NC(=O)[*:1]
O=C(NC(=S)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccccc1Cl C1CCC(CC1)[*:1] O=C(NC(=S)Nc1ccc(Cl)c(c1)C(=O)N[*:1])c1ccccc1Cl
O=C(NC(=S)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccccc1Cl O=C(NC1CCCCC1)[*:1] O=C(NC(=S)Nc1ccc(Cl)c(c1)[*:1])c1ccccc1Cl
O=[N+]([O-])c1ccccc1-n1nc(Br)nc1Br O=[N+]([O-])[*:1] Brc1nc(Br)n(n1)-c1ccccc1[*:1]
C#CCN(C(=O)NCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(C(=O)NCc1ccccc1C)[*:1]
C#CCN(C(=O)NCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 Cc1ccccc1[*:1] C#CCN(C(=O)NC[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(C(=O)NCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] Cc1ccccc1CNC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCC1CCC([NH2+]Cc2cccnc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] CCC1CCC(CC1)[NH2+]Cc1cccnc1[*:1]
O=c1c2ccccc2nnn1Cc1nc(CCc2ccccc2)no1 c1ccc(cc1)CC[*:1] O=c1c2ccccc2nnn1Cc1nc(no1)[*:1]
O=c1c2ccccc2nnn1Cc1nc(CCc2ccccc2)no1 c1ccc(cc1)[*:1] O=c1c2ccccc2nnn1Cc1nc(CC[*:1])no1
O=c1c2ccccc2nnn1Cc1nc(CCc2ccccc2)no1 c1ccc(cc1)C[*:1] O=c1c2ccccc2nnn1Cc1nc(C[*:1])no1
COC(=O)c1sccc1C[NH+]1CCC(OC)CC1 COC(=O)[*:1] COC1CC[NH+](CC1)Cc1ccsc1[*:1]
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc2c(c1)OCO2 O=[N+]([O-])[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)[*:1])c1ccc2OCOc2c1
COC(=O)c1cccc(C(=O)Nc2cc(F)cc(Br)c2)n1 COC(=O)[*:1] O=C(Nc1cc(F)cc(Br)c1)c1cccc(n1)[*:1]
O=C(Cc1c(F)cccc1F)NCC(C1CC1)C1CC1 C1CC1[*:1] O=C(Cc1c(F)cccc1F)NCC(C1CC1)[*:1]
O=C([O-])[C@@H]1CN(C(=O)N2CCN3C(=O)NC[C@H]3C2)CCO1 O=C([O-])[*:1] O=C(N1CCN2C(=O)NC[C@H]2C1)N1CCO[C@@H](C1)[*:1]
CCSc1ccccc1C(=O)N(Cc1ccsc1)C1CC1 CCS[*:1] O=C(c1ccccc1[*:1])N(Cc1ccsc1)C1CC1
CCSc1ccccc1C(=O)N(Cc1ccsc1)C1CC1 c1cc(cs1)[*:1] CCSc1ccccc1C(=O)N(C[*:1])C1CC1
CCSc1ccccc1C(=O)N(Cc1ccsc1)C1CC1 c1cc(cs1)C[*:1] CCSc1ccccc1C(=O)N(C1CC1)[*:1]
CCSc1ccccc1C(=O)N(Cc1ccsc1)C1CC1 C1CC1[*:1] CCSc1ccccc1C(=O)N(Cc1ccsc1)[*:1]
CO[C@@H](C)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1 CO[C@@H](C)[*:1] CC(C)(C)OC(=O)NC1(CCCCCC1)CNC(=O)[*:1]
CO[C@@H](C)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1 CC(C)(C)[*:1] CO[C@@H](C)C(=O)NCC1(CCCCCC1)NC(=O)O[*:1]
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cc[nH]n1 c1ccc(cc1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])Nc1cc[nH]n1
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cc[nH]n1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2)n1[*:1])Nc1cc[nH]n1
O=C(COc1cccc(-c2nnco2)c1)N(C1CCCC1)C1CC1 C1CC1[*:1] O=C(COc1cccc(c1)-c1nnco1)N(C1CCCC1)[*:1]
O=C(COc1cccc(-c2nnco2)c1)N(C1CCCC1)C1CC1 c1nnc(o1)[*:1] O=C(COc1cccc(c1)[*:1])N(C1CCCC1)C1CC1
O=C(COc1cccc(-c2nnco2)c1)N(C1CCCC1)C1CC1 C1CCC(C1)[*:1] O=C(COc1cccc(c1)-c1nnco1)N(C1CC1)[*:1]
COc1cccc([C@@H]2C[C@H]2C(=O)NCC(C2CC2)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)[C@@H]1C[C@H]1C(=O)NCC(C1CC1)[*:1]
COc1cccc([C@@H]2C[C@H]2C(=O)NCC(C2CC2)C2CC2)c1 C1CC1C(C1CC1)[*:1] COc1cccc(c1)[C@@H]1C[C@H]1C(=O)NC[*:1]
O=C(Nc1cccc(NC(=O)c2scnc2C2CC2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1scnc1C1CC1
O=C(Nc1cccc(NC(=O)c2scnc2C2CC2)c1)c1ccccc1 C1CC1[*:1] O=C(Nc1cccc(c1)NC(=O)c1scnc1[*:1])c1ccccc1
Cc1nn(C)c(C)c1CCN[C@H](Cc1ccncc1)C(F)(F)F FC(F)(F)[*:1] Cc1nn(C)c(C)c1CCN[C@H](Cc1ccncc1)[*:1]
Cc1nn(C)c(C)c1CCN[C@H](Cc1ccncc1)C(F)(F)F c1cc(ccn1)C[*:1] Cc1nn(C)c(C)c1CCN[C@H](C(F)(F)F)[*:1]
Cc1nn(C)c(C)c1CCN[C@H](Cc1ccncc1)C(F)(F)F c1cc(ccn1)[*:1] Cc1nn(C)c(C)c1CCN[C@H](C[*:1])C(F)(F)F
CC(C)c1cc(C(=O)NNC(=O)c2ccccc2Br)on1 CC(C)[*:1] O=C(NNC(=O)c1ccccc1Br)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)NNC(=O)c2ccccc2Br)on1 Brc1ccccc1[*:1] CC(C)c1cc(on1)C(=O)NNC(=O)[*:1]
C[NH+](CCn1cnnc1)Cc1c[nH]nc1-c1ccccc1 c1ccc(cc1)[*:1] C[NH+](CCn1cnnc1)Cc1c[nH]nc1[*:1]
C[NH+](CCn1cnnc1)Cc1c[nH]nc1-c1ccccc1 c1nncn1[*:1] C[NH+](CC[*:1])Cc1c[nH]nc1-c1ccccc1
C[NH+](CCn1cnnc1)Cc1c[nH]nc1-c1ccccc1 c1nncn1C[*:1] C[NH+](Cc1c[nH]nc1-c1ccccc1)C[*:1]
O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 c1cncc(c1)[*:1] O=S(=O)(NC[C@@H](N1CCN(CC1)c1ccc(F)cc1)[*:1])c1ccc(Cl)cc1
O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(CC1)[*:1])c1ccc(Cl)cc1
COCCn1nc(C(=O)N[C@H](C)c2cccc(Cl)c2)ccc1=O COCC[*:1] C[C@@H](NC(=O)c1ccc(=O)n(n1)[*:1])c1cccc(Cl)c1
COCCn1nc(C(=O)N[C@H](C)c2cccc(Cl)c2)ccc1=O Clc1cccc(c1)[*:1] COCCn1nc(ccc1=O)C(=O)N[C@H](C)[*:1]
COCCn1nc(C(=O)N[C@H](C)c2cccc(Cl)c2)ccc1=O COC[*:1] C[C@@H](NC(=O)c1ccc(=O)n(C[*:1])n1)c1cccc(Cl)c1
O=C(COc1ccc(F)cc1)Nc1sccc1C(=O)[O-] O=C([O-])[*:1] O=C(COc1ccc(F)cc1)Nc1sccc1[*:1]
CC1(C)CC(=O)C2=C(C1)NC(SCC(N)=O)=C(C#N)[C@@H]2c1ccc(Cl)cc1 NC(=O)CS[*:1] CC1(C)CC(=O)C2=C(C1)NC(=C(C#N)[C@@H]2c1ccc(Cl)cc1)[*:1]
CC1(C)CC(=O)C2=C(C1)NC(SCC(N)=O)=C(C#N)[C@@H]2c1ccc(Cl)cc1 NC(=O)[*:1] CC1(C)CC(=O)C2=C(C1)NC(SC[*:1])=C(C#N)[C@@H]2c1ccc(Cl)cc1
CC1(C)CC(=O)C2=C(C1)NC(SCC(N)=O)=C(C#N)[C@@H]2c1ccc(Cl)cc1 NC(=O)C[*:1] CC1(C)CC(=O)C2=C(C1)NC(S[*:1])=C(C#N)[C@@H]2c1ccc(Cl)cc1
CC1(C)CC(=O)C2=C(C1)NC(SCC(N)=O)=C(C#N)[C@@H]2c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)NC(SCC(N)=O)=C(C#N)[C@H]2[*:1]
COC(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)C[*:1] COC(=O)c1ccc(c(c1)NC(=O)[*:1])N1CCCC1
COC(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 COC(=O)[*:1] O=C(Cc1ccc(Cl)cc1)Nc1cc(ccc1N1CCCC1)[*:1]
COC(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 C1CCN(C1)[*:1] COC(=O)c1ccc(c(c1)NC(=O)Cc1ccc(Cl)cc1)[*:1]
COC(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COC(=O)c1ccc(c(c1)NC(=O)C[*:1])N1CCCC1
Cc1cccc(COc2ccc(CBr)cc2C(F)(F)F)n1 FC(F)(F)[*:1] Cc1cccc(COc2ccc(cc2[*:1])CBr)n1
Cc1cccc(COc2ccc(CBr)cc2C(F)(F)F)n1 Cc1cccc(n1)[*:1] FC(F)(F)c1cc(ccc1OC[*:1])CBr
C[C@@H](C(=O)Nc1ccccc1-n1cnnn1)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccccc1-n1cnnn1)n1nnc(n1)[*:1]
C[C@@H](C(=O)Nc1ccccc1-n1cnnn1)n1nnc(-c2ccccc2)n1 c1nnnn1[*:1] C[C@@H](C(=O)Nc1ccccc1[*:1])n1nnc(n1)-c1ccccc1
CC(C)c1ccc2nc(NC(=O)c3ccco3)sc2c1 CC(C)[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1ccco1
CC(C)c1ccc2nc(NC(=O)c3ccco3)sc2c1 c1coc(c1)[*:1] CC(C)c1ccc2nc(NC(=O)[*:1])sc2c1
COCc1ccc([C@@H]2OCC[C@@H]2C[NH2+]C2CC2)cc1 COC[*:1] c1cc(ccc1[C@@H]1OCC[C@@H]1C[NH2+]C1CC1)[*:1]
COCc1ccc([C@@H]2OCC[C@@H]2C[NH2+]C2CC2)cc1 C1CC1[*:1] COCc1ccc(cc1)[C@@H]1OCC[C@@H]1C[NH2+][*:1]
CCCC(=O)NCC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CCC[*:1] O=C(CNC(=O)[*:1])N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
CCCC(=O)NCC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CCCC(=O)NC[*:1] O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[*:1]
CCCC(=O)NCC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CCCC(=O)N[*:1] O=C(C[*:1])N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CNS(=O)(=O)c1cccc(c1)C(F)(F)F)N[*:1]
O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 FC(F)(F)[*:1] O=C(CNS(=O)(=O)c1cccc(c1)[*:1])Nc1cccc(Cl)c1
C#CCNC(=O)C[NH+](CC(=O)[O-])C(C)(C)C C#CC[*:1] CC(C)(C)[NH+](CC(=O)[O-])CC(=O)N[*:1]
C#CCNC(=O)C[NH+](CC(=O)[O-])C(C)(C)C CC(C)(C)[*:1] C#CCNC(=O)C[NH+](CC(=O)[O-])[*:1]
C#CCNC(=O)C[NH+](CC(=O)[O-])C(C)(C)C O=C([O-])[*:1] C#CCNC(=O)C[NH+](C[*:1])C(C)(C)C
O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](COCc2ccccc2)C1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(N1CCC[C@H](COCc2ccccc2)C1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](COCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N1CCC[C@H](COC[*:1])C1
O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](COCc2ccccc2)C1 O=[N+]([O-])[*:1] O=C(c1ccc(o1)[*:1])N1CCC[C@H](COCc2ccccc2)C1
O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](COCc2ccccc2)C1 c1ccc(cc1)CO[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N1CCC[C@@H](C1)C[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](COCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N1CCC[C@H](CO[*:1])C1
CC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC[C@@H](C)NC(=O)[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C1)[*:1]
CC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC[C@@H](C)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
O=C(COCC1CC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] O=C(COCC1CC1)N1CCN(CC1)C(=O)[*:1]
O=C(COCC1CC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 C1CC1[*:1] O=C(COC[*:1])N1CCN(CC1)C(=O)c1ccc(F)cc1F
O=C(COCC1CC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 C1CC1CO[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccc(F)cc1F
O=C(COCC1CC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 C1CC1COC[*:1] O=C(c1ccc(F)cc1F)N1CCN(CC1)C(=O)[*:1]
O=C(COCC1CC1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 C1CC1C[*:1] O=C(CO[*:1])N1CCN(CC1)C(=O)c1ccc(F)cc1F
Cc1cccc(COn2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2=O)c1 O=[N+]([O-])c1ccccc1[*:1] Cc1cccc(c1)COn1cccc(C(=O)N[*:1])c1=O
Cc1cccc(COn2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2=O)c1 Cc1cccc(c1)C[*:1] O=C(Nc1ccccc1[N+](=O)[O-])c1cccn(O[*:1])c1=O
Cc1cccc(COn2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2=O)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])c1cccn(OC[*:1])c1=O
Cc1cccc(COn2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2=O)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)COn1cccc(C(=O)Nc2ccccc2[*:1])c1=O
CC(C)Cc1cc(C(=O)N2CCC[C@@H]2C(N)=O)[nH]n1 CC(C)[*:1] NC(=O)[C@H]1CCCN1C(=O)c1cc(C[*:1])n[nH]1
CC(C)Cc1cc(C(=O)N2CCC[C@@H]2C(N)=O)[nH]n1 NC(=O)[*:1] CC(C)Cc1cc([nH]n1)C(=O)N1CCC[C@H]1[*:1]
CC(C)Cc1cc(C(=O)N2CCC[C@@H]2C(N)=O)[nH]n1 CC(C)C[*:1] NC(=O)[C@H]1CCCN1C(=O)c1cc(n[nH]1)[*:1]
CCn1nc(C)c(NCc2cnc(-c3ccccn3)s2)c1C c1ccc(nc1)[*:1] CCn1nc(C)c(NCc2cnc(s2)[*:1])c1C
O=C([O-])c1csc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 O=S(=O)(N1CCCC1)[*:1] O=C([O-])c1csc(c1)S(=O)(=O)Nc1cccc(c1)[*:1]
O=C([O-])c1csc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 O=C([O-])[*:1] O=S(=O)(Nc1cccc(c1)S(=O)(=O)N1CCCC1)c1cc(cs1)[*:1]
CCOc1ccc2cc(C(=O)N3CCC(NC(N)=O)CC3)[nH]c2c1 CCO[*:1] NC(=O)NC1CCN(CC1)C(=O)c1cc2ccc(cc2[nH]1)[*:1]
CCOc1ccc2cc(C(=O)N3CCC(NC(N)=O)CC3)[nH]c2c1 NC(=O)N[*:1] CCOc1ccc2cc([nH]c2c1)C(=O)N1CCC(CC1)[*:1]
CCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 CCNC(=O)[*:1] C[C@@H](Oc1cccc(Cl)c1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC12CC3CC(CC(C3)C1)C2 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)NC12CC3CC(CC(C3)C1)C2)[*:1]
CC[C@@H](CSC)N(C)Cc1nnnn1C1CC1 CSC[*:1] CC[C@@H](N(C)Cc1nnnn1C1CC1)[*:1]
CC[C@@H](CSC)N(C)Cc1nnnn1C1CC1 C1CC1[*:1] CC[C@@H](CSC)N(C)Cc1nnnn1[*:1]
CCOC(=O)COc1ccc(OCC)cc1 CCOC(=O)[*:1] CCOc1ccc(cc1)OC[*:1]
CCOC(=O)COc1ccc(OCC)cc1 CCO[*:1] CCOC(=O)COc1ccc(cc1)[*:1]
O=C(C1CC=CC1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(C1CC=CC1)N1CCCC[C@H]1c1nc(no1)[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)Cc1cccs1 c1csc(c1)[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)C[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)Cc1cccs1 c1csc(c1)C[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)[*:1]
C[NH+](CCC(=O)Nc1sccc1C#N)CC(=O)[O-] O=C([O-])[*:1] C[NH+](CCC(=O)Nc1sccc1C#N)C[*:1]
O=C(CCN1C(=O)CCC1=O)Nc1cc(Cl)cc2cccnc12 O=C1CCC(=O)N1[*:1] O=C(CC[*:1])Nc1cc(Cl)cc2cccnc12
O[C@H]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CCCC2)C1 C1CCN(C1)[*:1] O[C@H]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2[*:1])C1
CC(=O)Nc1ccc(OCC(=O)c2ccccc2)cc1 CC(=O)N[*:1] O=C(COc1ccc(cc1)[*:1])c1ccccc1
CC(=O)Nc1ccc(OCC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)OCC(=O)[*:1]
C[NH2+][C@H](C)c1cc(F)ccc1OCCn1ccnc1 c1cn(cn1)[*:1] C[NH2+][C@H](C)c1cc(F)ccc1OCC[*:1]
C[NH2+][C@H](C)c1cc(F)ccc1OCCn1ccnc1 c1cn(cn1)C[*:1] C[NH2+][C@H](C)c1cc(F)ccc1OC[*:1]
Cc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccc(N5CCCC5)cc43)CC2)c1 C1CCN(C1)[*:1] Cc1cccc(c1)CN1CCN(CC1)CN1C(=O)C(=O)c2ccc(cc21)[*:1]
Cc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccc(N5CCCC5)cc43)CC2)c1 Cc1cccc(c1)C[*:1] O=C1C(=O)N(CN2CCN(CC2)[*:1])c2cc(ccc21)N1CCCC1
Cc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccc(N5CCCC5)cc43)CC2)c1 Cc1cccc(c1)[*:1] O=C1C(=O)N(CN2CCN(CC2)C[*:1])c2cc(ccc21)N1CCCC1
CC(C)Cn1nnnc1SCC(=O)c1ccc(Cl)s1 CC(C)C[*:1] O=C(CSc1nnnn1[*:1])c1ccc(Cl)s1
CC(C)Cn1nnnc1SCC(=O)c1ccc(Cl)s1 CC(C)[*:1] O=C(CSc1nnnn1C[*:1])c1ccc(Cl)s1
CC(C)Cn1nnnc1SCC(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC(C)Cn1nnnc1SCC(=O)[*:1]
CC(C)[C@@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 CC(C)[C@@H](C)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[*:1]
CC(C)[C@@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] CC(C)[C@@H](C)NC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CC(C)[C@@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 CC(C)[*:1] C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc2C1 C1CO[C@H](C1)[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)Nc1cnn(c1)C[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc2C1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)C[C@H]1CCCO1)c1cc2C[C@@H](CCc2s1)[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc2C1 C1CO[C@H](C1)C[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)Nc1cnn(c1)[*:1]
CCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1C1CC1 C1CC1[*:1] CCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1[*:1]
CCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1C1CC1 O=C([O-])[*:1] CCN1C(=O)C[C@@H]([C@H]1c1ccccc1C1CC1)[*:1]
CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 CCC(C)(C)[*:1] NC(=O)c1c(NC(=O)Cc2ccc(cc2)[N+](=O)[O-])sc2C[C@@H](CCc21)[*:1]
CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 O=[N+]([O-])c1ccc(cc1)C[*:1] CCC(C)(C)[C@@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 O=[N+]([O-])c1ccc(cc1)[*:1] CCC(C)(C)[C@@H]1CCc2c(C1)sc(NC(=O)C[*:1])c2C(N)=O
CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 O=[N+]([O-])[*:1] CCC(C)(C)[C@@H]1CCc2c(C1)sc(NC(=O)Cc1ccc(cc1)[*:1])c2C(N)=O
CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 NC(=O)[*:1] CCC(C)(C)[C@@H]1CCc2c(C1)sc(NC(=O)Cc1ccc(cc1)[N+](=O)[O-])c2[*:1]
O=C(NCc1ccccc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O c1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
O=C(NCc1ccccc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O c1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)Nc1c(Cl)cc(Cl)cc1Cl c1csc(c1)[*:1] C[C@@H](Sc1nnc(n1N)[*:1])C(=O)Nc1c(Cl)cc(Cl)cc1Cl
C[NH2+]C1CCC(N(C)C(=O)COC)CC1 COC[*:1] C[NH2+]C1CCC(CC1)N(C)C(=O)[*:1]
CN[C@](C)(C#N)C[C@@H](C)SC[C@@H](C)CO C[C@@H](CO)[*:1] CN[C@](C)(C#N)C[C@@H](C)SC[*:1]
CN[C@](C)(C#N)C[C@@H](C)SC[C@@H](C)CO C[C@@H](CO)C[*:1] CN[C@](C)(C#N)C[C@@H](C)S[*:1]
Cc1ccc2c(c1)=C[C@H](CN(Cc1ccco1)S(C)(=O)=O)C(=O)[NH+]=2 c1coc(c1)C[*:1] Cc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(S(C)(=O)=O)[*:1]
Cc1ccc2c(c1)=C[C@H](CN(Cc1ccco1)S(C)(=O)=O)C(=O)[NH+]=2 c1coc(c1)[*:1] Cc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C[*:1])S(C)(=O)=O
COCCC(=O)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 COC[*:1] O=C(C[*:1])N1[C@H]2CC[C@@H]1Cn1c(C2)nc2ccccc2c1=O
COCCC(=O)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 COCC[*:1] O=C(N1[C@H]2CC[C@@H]1Cn1c(C2)nc2ccccc2c1=O)[*:1]
COc1ccc(CC[NH2+][C@@H](C)[C@@H](C)C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)CC[NH2+][C@@H](C)[C@@H](C)[*:1]
O=C(Nc1cc(F)ccc1F)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 Fc1ccc(F)c(c1)[*:1] O=C(N[*:1])[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12
CC(C)=C[C@H]1[C@@H](C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1(C)C CC(C)=C[*:1] C[C@H](NC(=O)[C@@H]1[C@@H](C1(C)C)[*:1])c1cccc(c1)NS(C)(=O)=O
CC(C)=C[C@H]1[C@@H](C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1(C)C CS(=O)(=O)N[*:1] CC(C)=C[C@H]1[C@@H](C(=O)N[C@@H](C)c2cccc(c2)[*:1])C1(C)C
Brc1cccnc1SCc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] Brc1cccnc1SCc1ncn(n1)[*:1]
COc1ccc(OC)c(CN(C)C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(OC)c(c1)CN(C)C(=O)[C@H]1CCCC[C@@H]1[*:1]
Cc1ccccc1Nc1nc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cs1 Cc1ccccc1N[*:1] CN(C1CC[NH+](CC1)Cc1csc(n1)[*:1])S(C)(=O)=O
Cc1ccccc1Nc1nc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cs1 Cc1ccccc1[*:1] CN(C1CC[NH+](CC1)Cc1csc(n1)N[*:1])S(C)(=O)=O
Cc1ccccc1Nc1nc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cs1 CN(S(C)(=O)=O)[*:1] Cc1ccccc1Nc1nc(cs1)C[NH+]1CCC(CC1)[*:1]
O=C1NC2(CCN(C(=O)CCn3cnc4ccccc43)CC2)Oc2ccccc21 c1ccc2c(c1)ncn2[*:1] O=C1NC2(CCN(CC2)C(=O)CC[*:1])Oc2ccccc21
CCOC(=O)[C@H](C)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 CCOC(=O)[*:1] C[C@H](NC(=O)C1(CCOCC1)c1ccc(F)cc1F)[*:1]
CCOC(=O)[C@H](C)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 CCOC(=O)[C@H](C)[*:1] O=C(N[*:1])C1(CCOCC1)c1ccc(F)cc1F
CCOC(=O)[C@H](C)NC(=O)C1(c2ccc(F)cc2F)CCOCC1 Fc1ccc(c(F)c1)[*:1] CCOC(=O)[C@H](C)NC(=O)C1(CCOCC1)[*:1]
Cc1ccc(Cn2nc(C)c(NC(=O)c3ccc(F)cc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)c1ccc(F)cc1
Cc1ccc(Cn2nc(C)c(NC(=O)c3ccc(F)cc3)c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(c(C)c1NC(=O)c1ccc(F)cc1)[*:1]
Cc1ccc(Cn2nc(C)c(NC(=O)c3ccc(F)cc3)c2C)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1nc(C)c(NC(=O)[*:1])c1C
CCS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3F)C2)c1 Fc1ccccc1[*:1] CCS(=O)(=O)Nc1cccc(c1)C1C[C@@H](N(N=1)C(=O)c1ccccc1)[*:1]
CCS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3F)C2)c1 c1ccc(cc1)[*:1] CCS(=O)(=O)Nc1cccc(c1)C1C[C@@H](c2ccccc2F)N(N=1)C(=O)[*:1]
CCS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3F)C2)c1 CCS(=O)(=O)N[*:1] O=C(c1ccccc1)N1N=C(C[C@H]1c1ccccc1F)c1cccc(c1)[*:1]
CCc1nc(CS(=O)(=O)Cc2noc(-c3cccs3)n2)cs1 c1csc(c1)[*:1] CCc1nc(cs1)CS(=O)(=O)Cc1noc(n1)[*:1]
CCc1nc(CS(=O)(=O)Cc2noc(-c3cccs3)n2)cs1 CCc1nc(cs1)[*:1] O=S(=O)(Cc1noc(n1)-c1cccs1)C[*:1]
COc1ccccc1CSCc1nnc(-c2ccccc2F)o1 Fc1ccccc1[*:1] COc1ccccc1CSCc1nnc(o1)[*:1]
CCc1nsc(NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)n1 CN(C)C(=O)[*:1] CCc1nsc(n1)NC[C@@H]1CC[C@H](O1)[*:1]
C[C@H]1CC[C@](C#N)([C@H](O)C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CC[C@@](C#N)(C1)[C@H](O)[*:1]
C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H]([NH2+][C@@H]1CCN(C1)c1ccccn1)[*:1]
C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(F)cn1 c1ccc(nc1)[*:1] C[C@H]([NH2+][C@@H]1CCN(C1)[*:1])c1ccc(F)cn1
CCC[C@@H]([NH2+][C@H](c1cccc(F)c1)c1ccccn1)C1CC1 CCC[*:1] Fc1cccc(c1)[C@@H]([NH2+][C@@H](C1CC1)[*:1])c1ccccn1
CCC[C@@H]([NH2+][C@H](c1cccc(F)c1)c1ccccn1)C1CC1 C1CC1[*:1] CCC[C@@H]([NH2+][C@H](c1cccc(F)c1)c1ccccn1)[*:1]
CCC[C@@H]([NH2+][C@H](c1cccc(F)c1)c1ccccn1)C1CC1 Fc1cccc(c1)[*:1] CCC[C@@H]([NH2+][C@H](c1ccccn1)[*:1])C1CC1
CCC[C@@H]([NH2+][C@H](c1cccc(F)c1)c1ccccn1)C1CC1 c1ccc(nc1)[*:1] CCC[C@@H]([NH2+][C@H](c1cccc(F)c1)[*:1])C1CC1
COCCn1ccc2ccc(NC(=O)c3n[nH]c4ccccc34)cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)c1n[nH]c2ccccc12
COCCn1ccc2ccc(NC(=O)c3n[nH]c4ccccc34)cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])c1n[nH]c2ccccc12
Cc1ccc(NC(=O)COC(=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)NC(=O)COC(=O)[*:1]
Cc1ccc([N+](=O)[O-])c(NCc2ccc(C(=O)[O-])cc2)c1 O=C([O-])[*:1] Cc1ccc(c(c1)NCc1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NCc2ccc(C(=O)[O-])cc2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)NCc1ccc(cc1)C(=O)[O-])[*:1]
CC(C)(C)CC(=O)NNC(=O)[C@@H]1COc2ccc(F)cc2C1 CC(C)(C)C[*:1] O=C(NNC(=O)[*:1])[C@@H]1COc2ccc(F)cc2C1
CC(C)(C)CC(=O)NNC(=O)[C@@H]1COc2ccc(F)cc2C1 CC(C)(C)[*:1] O=C(C[*:1])NNC(=O)[C@@H]1COc2ccc(F)cc2C1
C[C@@]1(Oc2c[nH]c3ccc(Br)c(Cl)c23)O[C@@H](C(=O)[O-])[C@@](C)(O)[C@@](C)(O)[C@@]1(C)O O=C([O-])[*:1] C[C@@]1(Oc2c[nH]c3ccc(Br)c(Cl)c23)O[C@@H]([C@@](C)(O)[C@@](C)(O)[C@@]1(C)O)[*:1]
CCCN1C(=O)[C@@](O)(CC(=O)c2cc(OC)ccc2OC)c2cc(Br)ccc21 CCC[*:1] COc1ccc(OC)c(c1)C(=O)C[C@]1(O)C(=O)N(c2ccc(Br)cc21)[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl FC(F)(F)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)NC1CC1
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl O=S(=O)(NC1CC1)[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)c1cc(c(Cl)cc1Cl)[*:1]
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl C1CC1[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)c1cc(c(Cl)cc1Cl)S(=O)(=O)N[*:1]
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](NC(N)=O)c3ccccc3Cl)CC2)cc1 Clc1ccccc1[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C[C@@H](NC(N)=O)[*:1]
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](NC(N)=O)c3ccccc3Cl)CC2)cc1 N#Cc1ccc(cc1)[*:1] NC(=O)N[C@H](CC(=O)N1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1Cl
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](NC(N)=O)c3ccccc3Cl)CC2)cc1 NC(=O)N[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C[C@@H](c1ccccc1Cl)[*:1]
CC(C)CNC(=O)CNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O CC(C)[*:1] O=C(CNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)NC[*:1]
CC(C)CNC(=O)CNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)CNC(=O)CNC(=O)[C@@H](c1ccccc1)[*:1]
CC(C)CNC(=O)CNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O CC(C)C[*:1] O=C(CNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O)N[*:1]
CC(C)CNC(=O)CNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O CC(C)CNC(=O)C[*:1] O=C(N[*:1])[C@@H](c1ccccc1)N1CCCCC1=O
CC(C)CNC(=O)CNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O CC(C)CNC(=O)[*:1] O=C(NC[*:1])[C@@H](c1ccccc1)N1CCCCC1=O
CC(C)CNC(=O)CNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O c1ccc(cc1)[*:1] CC(C)CNC(=O)CNC(=O)[C@@H](N1CCCCC1=O)[*:1]
C[NH+](Cc1ccccc1)CC1CCN(S(=O)(=O)N2CCCCCC2)CC1 c1ccc(cc1)C[*:1] C[NH+](CC1CCN(CC1)S(=O)(=O)N1CCCCCC1)[*:1]
C[NH+](Cc1ccccc1)CC1CCN(S(=O)(=O)N2CCCCCC2)CC1 c1ccc(cc1)[*:1] C[NH+](CC1CCN(CC1)S(=O)(=O)N1CCCCCC1)C[*:1]
Cc1cccc(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)c1 Cc1cccc(c1)[*:1] O=S(=O)(NCC[NH+]1CCN(CC1)c1ccccc1F)[*:1]
Cc1cccc(S(=O)(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)c1 Fc1ccccc1[*:1] Cc1cccc(c1)S(=O)(=O)NCC[NH+]1CCN(CC1)[*:1]
C#C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)C1CC1 c1cc(ccn1)[*:1] C#C[C@H](OC(=O)[C@@H]1CCCN(C1)C(=O)[*:1])C1CC1
C#C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)C1CC1 C1CC1[*:1] C#C[C@H](OC(=O)[C@@H]1CCCN(C1)C(=O)c1ccncc1)[*:1]
COc1cc([C@@H]2CC(=O)C3=C(C)NN(c4nc5ccccc5[nH]4)[C@H]3C2)cc(OC)c1OC c1ccc2[nH]c(nc2c1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC(=O)C2=C(C)NN([C@H]2C1)[*:1]
COc1ccc(F)cc1NC(=O)NCCCNC(C)=O CC(=O)NC[*:1] COc1ccc(F)cc1NC(=O)NCC[*:1]
COc1ccc(F)cc1NC(=O)NCCCNC(C)=O CC(=O)N[*:1] COc1ccc(F)cc1NC(=O)NCCC[*:1]
COc1ccc(F)cc1NC(=O)NCCCNC(C)=O CC(=O)NCC[*:1] COc1ccc(F)cc1NC(=O)NC[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@@H]3CCC[C@H](C(=O)NC(C)C)C3)cc12 CC(C)NC(=O)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@@H]3CCC[C@H](C(=O)NC(C)C)C3)cc12 CC(C)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)N[*:1]
CC(C)(F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 CC(C)(F)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1)[*:1]
CC(C)(F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 c1cnc(nc1)[*:1] CC(C)(F)C(=O)Nc1ccc(cc1)S(=O)(=O)[N-][*:1]
CC(C)(F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 CC(C)(F)C(=O)N[*:1] O=S(=O)([N-]c1ncccn1)c1ccc(cc1)[*:1]
CC1(C)COC(=O)[C@@H]1OC(=O)CCc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CC1(C)COC(=O)[C@@H]1OC(=O)CCc1cnn(c1)[*:1]
COc1ccc(-n2c(-c3ccc(OC)c(Cl)c3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1C COc1ccc(cc1Cl)[*:1] COc1ccc(cc1C)-n1c(cn2c3c(=O)n(C)c(=O)n(C)c3nc12)[*:1]
COc1ccc(-n2c(-c3ccc(OC)c(Cl)c3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1C COc1ccc(cc1C)[*:1] COc1ccc(cc1Cl)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1[*:1]
Cc1ccc(N2C(=O)C(Cl)=C(N3CCCCCC3)C2=O)cc1Cl C1CCCN(CC1)[*:1] Cc1ccc(cc1Cl)N1C(=O)C(Cl)=C(C1=O)[*:1]
COCc1cccc(C(=O)N[C@@H](C)C(C)C)c1 CC(C)[C@H](C)[*:1] COCc1cccc(c1)C(=O)N[*:1]
COCc1cccc(C(=O)N[C@@H](C)C(C)C)c1 CC(C)[*:1] COCc1cccc(c1)C(=O)N[C@@H](C)[*:1]
COCc1cccc(C(=O)N[C@@H](C)C(C)C)c1 COC[*:1] CC(C)[C@H](C)NC(=O)c1cccc(c1)[*:1]
C[C@H](NCc1nccn1C(F)F)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@H](NCc1nccn1C(F)F)c1ccc(cc1)[*:1]
C[C@H](NCc1nccn1C(F)F)c1ccc(-c2ccc(F)cc2)cc1 FC(F)n1ccnc1[*:1] C[C@H](NC[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@H](NCc1nccn1C(F)F)c1ccc(-c2ccc(F)cc2)cc1 FC(F)[*:1] C[C@H](NCc1nccn1[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H]1CCc2c(O)cccc21 Fc1ccc(cc1F)[*:1] C[C@@H](N(C)C(=O)N[C@H]1CCc2c(O)cccc21)[*:1]
O=C(Cc1cccs1)N1CCC2(CC1)N=C(c1ccccc1)C(c1ccccc1)=N2 c1csc(c1)[*:1] O=C(C[*:1])N1CCC2(CC1)N=C(C(=N2)c1ccccc1)c1ccccc1
O=C(Cc1cccs1)N1CCC2(CC1)N=C(c1ccccc1)C(c1ccccc1)=N2 c1ccc(cc1)[*:1] O=C(Cc1cccs1)N1CCC2(CC1)N=C(C(=N2)[*:1])c1ccccc1
O=C(Cc1cccs1)N1CCC2(CC1)N=C(c1ccccc1)C(c1ccccc1)=N2 c1csc(c1)C[*:1] O=C(N1CCC2(CC1)N=C(C(=N2)c1ccccc1)c1ccccc1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)NCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@@H](Cc1cccs1)NC(=O)NCc1ccc(cc1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)NCc1ccc(-n2cccn2)cc1 c1csc(c1)C[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)-n1cccn1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)NCc1ccc(-n2cccn2)cc1 c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)NCc1ccc(cc1)-n1cccn1
C#CCNC(=O)CNC(=O)c1ccoc1C C#CC[*:1] Cc1occc1C(=O)NCC(=O)N[*:1]
C[C@H](C(=O)Nc1ccc(F)cc1F)[S@](=O)Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](C(=O)Nc1ccc(F)cc1F)[S@](=O)C[*:1]
C[C@H](C(=O)Nc1ccc(F)cc1F)[S@](=O)Cc1ccc(F)c(F)c1 Fc1ccc(c(F)c1)[*:1] C[C@H](C(=O)N[*:1])[S@](=O)Cc1ccc(F)c(F)c1
CCN1c2cc(C)ccc2-n2cccc2C12CCN(S(=O)(=O)c1ccc(OC)c(OC)c1)CC2 COc1ccc(cc1OC)[*:1] CCN1c2cc(C)ccc2-n2cccc2C12CCN(CC2)S(=O)(=O)[*:1]
Cc1c(CCC(=O)NCCCC(=O)[O-])c(=O)oc2cc3c(cc12)CCC(C)(C)O3 O=C([O-])C[*:1] Cc1c(CCC(=O)NCC[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
Cc1c(CCC(=O)NCCCC(=O)[O-])c(=O)oc2cc3c(cc12)CCC(C)(C)O3 O=C([O-])CC[*:1] Cc1c(CCC(=O)NC[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
Cc1c(CCC(=O)NCCCC(=O)[O-])c(=O)oc2cc3c(cc12)CCC(C)(C)O3 O=C([O-])CCCNC(=O)[*:1] Cc1c(CC[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
Cc1c(CCC(=O)NCCCC(=O)[O-])c(=O)oc2cc3c(cc12)CCC(C)(C)O3 O=C([O-])[*:1] Cc1c(CCC(=O)NCCC[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
Cc1c(CCC(=O)NCCCC(=O)[O-])c(=O)oc2cc3c(cc12)CCC(C)(C)O3 O=C([O-])CCC[*:1] Cc1c(CCC(=O)N[*:1])c(=O)oc2cc3OC(C)(C)CCc3cc12
O=C(NC[C@@H](O)c1ccc(F)cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NC[C@@H](O)c1ccc(F)cc1)[*:1]
CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1ccc(Cl)cc1 O=C([O-])[*:1] CCN1C(=O)[C@H](CC(=O)Nc2ccc(cc2)[*:1])S/C1=N\c1ccc(Cl)cc1
CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCN1C(=O)[C@H](CC(=O)Nc2ccc(cc2)C(=O)[O-])SC1=N[*:1]
CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N\c1ccc(Cl)cc1 O=C([O-])c1ccc(cc1)[*:1] CCN1C(=O)[C@H](CC(=O)N[*:1])S/C1=N\c1ccc(Cl)cc1
COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)N1CCN(C2CCCCC2)CC1 Cc1cc(on1)[*:1] COc1cc(ccc1S(=O)(=O)N1CCN(CC1)C1CCCCC1)[*:1]
COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)N1CCN(C2CCCCC2)CC1 C1CCC(CC1)[*:1] COc1cc(ccc1S(=O)(=O)N1CCN(CC1)[*:1])-c1cc(C)no1
CNC(=O)c1cc(NC(=O)N[C@H](c2ccccc2)C2CC2)ccc1Cl C1CC1[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)N[C@H](c1ccccc1)[*:1]
CNC(=O)c1cc(NC(=O)N[C@H](c2ccccc2)C2CC2)ccc1Cl c1ccc(cc1)[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)N[C@H](C1CC1)[*:1]
CNC(=O)c1cc(NC(=O)N[C@H](c2ccccc2)C2CC2)ccc1Cl CNC(=O)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])N[C@H](c1ccccc1)C1CC1
C/C(N)=C(/C#N)C(=O)CSc1nnc2c(Cl)cc(Cl)cn12 CC(N)=C(C#N)[*:1] O=C(CSc1nnc2c(Cl)cc(Cl)cn12)[*:1]
O=C(NCc1cccnc1OC1CCCC1)C(=O)Nc1ccc2ncccc2c1 C1CCC(C1)[*:1] O=C(NCc1cccnc1O[*:1])C(=O)Nc1ccc2ncccc2c1
O=C(NCc1cccnc1OC1CCCC1)C(=O)Nc1ccc2ncccc2c1 C1CCC(C1)O[*:1] O=C(NCc1cccnc1[*:1])C(=O)Nc1ccc2ncccc2c1
O=C(CCC(=O)N1CCOCC1)OCc1ncc(-c2ccc(F)cc2)o1 O=C(N1CCOCC1)[*:1] O=C(CC[*:1])OCc1ncc(o1)-c1ccc(F)cc1
O=C(CCC(=O)N1CCOCC1)OCc1ncc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C(CCC(=O)N1CCOCC1)OCc1ncc(o1)[*:1]
Cc1ccc(-c2n[nH]cc2CN[C@H]2CC[C@H]([NH+](C)C)C2)o1 Cc1ccc(o1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NCc1c[nH]nc1[*:1]
CC(=O)N[C@H](C(=O)NC[C@H](C)Oc1ccccc1)C(C)C CC(=O)N[*:1] CC(C)[C@@H](C(=O)NC[C@H](C)Oc1ccccc1)[*:1]
CC(=O)N[C@H](C(=O)NC[C@H](C)Oc1ccccc1)C(C)C c1ccc(cc1)O[*:1] CC(=O)N[C@H](C(=O)NC[C@H](C)[*:1])C(C)C
CC(=O)N[C@H](C(=O)NC[C@H](C)Oc1ccccc1)C(C)C c1ccc(cc1)[*:1] CC(=O)N[C@H](C(=O)NC[C@H](C)O[*:1])C(C)C
CC(=O)N[C@H](C(=O)NC[C@H](C)Oc1ccccc1)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)NC[C@H](C)Oc1ccccc1)[*:1]
CC(C)C(=O)c1c(O)cc(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]2C(C)C CC(C)C(=O)[*:1] CC(C)[C@@H]1C2C(=O)C(C)(C)C(=O)C(C)(C)C=2Oc2c1c(O)cc(O)c2[*:1]
CC(C)C(=O)c1c(O)cc(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]2C(C)C CC(C)[*:1] CC(C)[C@@H]1C2C(=O)C(C)(C)C(=O)C(C)(C)C=2Oc2c(C(=O)[*:1])c(O)cc(O)c21
C[C@@](NC(=O)CSc1ccc(Cl)cc1)(C(=O)[O-])C1CC1 C1CC1[*:1] C[C@@](NC(=O)CSc1ccc(Cl)cc1)(C(=O)[O-])[*:1]
C[C@@](NC(=O)CSc1ccc(Cl)cc1)(C(=O)[O-])C1CC1 O=C([O-])[*:1] C[C@@](NC(=O)CSc1ccc(Cl)cc1)(C1CC1)[*:1]
Cn1ccc(C(=O)N2C[C@@H](C[NH+]3CCCCCC3)[C@@H](CO)C2)cc1=O Cn1ccc(cc1=O)[*:1] O=C(N1C[C@@H](C[NH+]2CCCCCC2)[C@@H](CO)C1)[*:1]
CC(C)N(CC(N)=O)C(=O)c1cccn1CC(=O)[O-] NC(=O)C[*:1] CC(C)N(C(=O)c1cccn1CC(=O)[O-])[*:1]
CC(C)N(CC(N)=O)C(=O)c1cccn1CC(=O)[O-] NC(=O)[*:1] CC(C)N(C[*:1])C(=O)c1cccn1CC(=O)[O-]
CC(C)N(CC(N)=O)C(=O)c1cccn1CC(=O)[O-] O=C([O-])C[*:1] CC(C)N(CC(N)=O)C(=O)c1cccn1[*:1]
CC(C)N(CC(N)=O)C(=O)c1cccn1CC(=O)[O-] O=C([O-])[*:1] CC(C)N(CC(N)=O)C(=O)c1cccn1C[*:1]
CC(C)N(CC(N)=O)C(=O)c1cccn1CC(=O)[O-] CC(C)[*:1] NC(=O)CN(C(=O)c1cccn1CC(=O)[O-])[*:1]
Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1cccc(C(N)=O)c1 NC(=O)[*:1] Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)NCc1ccc2OCCOc2c1)c1ccc(cc1)[*:1]
Clc1ccc(-c2nc(CN3CCN(c4nccs4)CC3)cs2)cc1 c1csc(n1)[*:1] Clc1ccc(cc1)-c1nc(cs1)CN1CCN(CC1)[*:1]
Clc1ccc(-c2nc(CN3CCN(c4nccs4)CC3)cs2)cc1 Clc1ccc(cc1)[*:1] c1csc(n1)N1CCN(CC1)Cc1csc(n1)[*:1]
O=C(Cn1ccc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(Cn1ccc2ccccc21)N1CCN(CC1)[*:1]
COc1cccc(CO[C@H](C)C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)c1 COc1cccc(c1)C[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)[C@@H](C)O[*:1]
COc1cccc(CO[C@H](C)C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)c1 COc1cccc(c1)[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)[C@@H](C)OC[*:1]
COc1cccc(CO[C@H](C)C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CO[C@H](C)C(=O)N[C@H]1C[C@H](C)N(C1)[*:1]
Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)C=C[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(CC(=O)N[*:1])C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/c2cccc(c2)[*:1])c(C)c1
O=C(Cc1ccc(F)cc1F)Nc1sccc1C(=O)[O-] O=C([O-])[*:1] O=C(Cc1ccc(F)cc1F)Nc1sccc1[*:1]
CCNC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccccc3[N+](=O)[O-])c2C)C1 O=[N+]([O-])c1ccccc1[*:1] CCNC(=O)N[C@@H]1C=C[C@H](C1)c1c(C)nn(c1C)[*:1]
CCNC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccccc3[N+](=O)[O-])c2C)C1 O=[N+]([O-])[*:1] CCNC(=O)N[C@@H]1C=C[C@H](C1)c1c(C)nn(-c2ccccc2[*:1])c1C
CCNC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccccc3[N+](=O)[O-])c2C)C1 CCNC(=O)N[*:1] Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@H](C1)[*:1]
CC(C)NC(=O)Nc1ccc(C(=O)OCC2CC2)cc1 C1CC1C[*:1] CC(C)NC(=O)Nc1ccc(cc1)C(=O)O[*:1]
CC(C)NC(=O)Nc1ccc(C(=O)OCC2CC2)cc1 C1CC1[*:1] CC(C)NC(=O)Nc1ccc(cc1)C(=O)OC[*:1]
CC(C)NC(=O)Nc1ccc(C(=O)OCC2CC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)C(=O)OCC1CC1)N[*:1]
O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)NNC(=O)C1CC1 C1CC1[*:1] O=C(CN1CCC[C@@H](C1)[NH+]1CCCC1)NNC(=O)[*:1]
C[C@@H]1C[C@H]1NC(=O)c1ccc(Oc2cccnc2)cc1 c1cncc(c1)[*:1] C[C@@H]1C[C@H]1NC(=O)c1ccc(cc1)O[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[*:1]
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1cccc(Cl)c1 CCOC(=O)[*:1] O=C1N=C(N[C@H](c2cccc(Cl)c2)[C@H]1[*:1])N1CCN(CC1)c1ccc(F)cc1
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1cccc(Cl)c1 Fc1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(=O)N=C(N[C@@H]1c1cccc(Cl)c1)N1CCN(CC1)[*:1]
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCOC(=O)[C@H]1C(=O)N=C(N[C@H]1[*:1])N1CCN(CC1)c1ccc(F)cc1
CC(C)(C)OC(=O)N1CC[C@H](CS(=O)(=O)c2nc3ccccc3s2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C1)CS(=O)(=O)c1nc2ccccc2s1
N#Cc1ccc(-c2noc(CCCn3nnc(-c4ccccc4)n3)n2)nc1 c1ccc(cc1)[*:1] N#Cc1ccc(nc1)-c1noc(CCCn2nnc(n2)[*:1])n1
N#Cc1ccc(-c2noc(CCCn3nnc(-c4ccccc4)n3)n2)nc1 N#Cc1ccc(nc1)[*:1] c1ccc(cc1)-c1nnn(CCCc2nc(no2)[*:1])n1
Cc1nc([C@H](C)N(C)C(=O)Cc2c(F)cccc2Cl)c(C)s1 Cc1nc(c(C)s1)[*:1] C[C@H](N(C)C(=O)Cc1c(F)cccc1Cl)[*:1]
Cc1cccc(C2(Cc3nccs3)C[NH2+]C2)c1 c1csc(n1)[*:1] Cc1cccc(c1)C1(C[NH2+]C1)C[*:1]
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(O)c1 O=C([O-])[*:1] O=C(Nc1cccc(O)c1)[C@@H]1CCCC[C@H]1[*:1]
C[S@@](=O)Cc1cc(Oc2ccccc2)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] C[S@@](=O)Cc1cc(nc(n1)[*:1])Oc1ccccc1
C[S@@](=O)Cc1cc(Oc2ccccc2)nc(-c2ccncc2)n1 c1ccc(cc1)O[*:1] C[S@@](=O)Cc1cc(nc(n1)-c1ccncc1)[*:1]
C[S@@](=O)Cc1cc(Oc2ccccc2)nc(-c2ccncc2)n1 c1ccc(cc1)[*:1] C[S@@](=O)Cc1cc(nc(n1)-c1ccncc1)O[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 O=[N+]([O-])[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)NC(=O)c1ccc(cc1Cl)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 CS(=O)(=O)[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
C/C(Nc1ccc(C)cc1)=C1\N=C(c2ccccc2)OC1=O Cc1ccc(cc1)[*:1] C/C(N[*:1])=C1\N=C(OC1=O)c1ccccc1
C/C(Nc1ccc(C)cc1)=C1\N=C(c2ccccc2)OC1=O c1ccc(cc1)[*:1] C/C(Nc1ccc(C)cc1)=C1\N=C(OC1=O)[*:1]
O=C(Nc1ccc(COC2CCCC2)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 C1CCC(C1)O[*:1] O=C(Nc1ccc(cc1)C[*:1])N1CCCC[C@@H]1c1[nH]cc[nH+]1
O=C(Nc1ccc(COC2CCCC2)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 C1CCC(C1)[*:1] O=C(Nc1ccc(cc1)CO[*:1])N1CCCC[C@@H]1c1[nH]cc[nH+]1
O=C(Nc1ccc(COC2CCCC2)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 C1CCC(C1)OC[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCCC[C@@H]1c1[nH]cc[nH+]1
C=CCNc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] C=CC[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1ccccc1F
C=CCNc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] Fc1ccccc1[*:1] C=CCNc1ncnc(N[*:1])c1[N+](=O)[O-]
C=CCNc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] O=[N+]([O-])[*:1] C=CCNc1ncnc(Nc2ccccc2F)c1[*:1]
C=CCNc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] C=CCN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccccc1F
Cc1cc(OC(F)F)c(C(=O)N(C)CCCS(C)(=O)=O)s1 CS(=O)(=O)CCC[*:1] Cc1cc(OC(F)F)c(s1)C(=O)N(C)[*:1]
Cc1cc(OC(F)F)c(C(=O)N(C)CCCS(C)(=O)=O)s1 CS(=O)(=O)C[*:1] Cc1cc(OC(F)F)c(s1)C(=O)N(C)CC[*:1]
Cc1cc(OC(F)F)c(C(=O)N(C)CCCS(C)(=O)=O)s1 FC(F)O[*:1] Cc1cc(c(s1)C(=O)N(C)CCCS(C)(=O)=O)[*:1]
Cc1cc(OC(F)F)c(C(=O)N(C)CCCS(C)(=O)=O)s1 CS(=O)(=O)[*:1] Cc1cc(OC(F)F)c(s1)C(=O)N(C)CCC[*:1]
Cc1cc(OC(F)F)c(C(=O)N(C)CCCS(C)(=O)=O)s1 CS(=O)(=O)CC[*:1] Cc1cc(OC(F)F)c(s1)C(=O)N(C)C[*:1]
Cc1cc(OC(F)F)c(C(=O)N(C)CCCS(C)(=O)=O)s1 FC(F)[*:1] Cc1cc(O[*:1])c(s1)C(=O)N(C)CCCS(C)(=O)=O
C=CCCC(=O)Nc1cccc(N(C)C(C)=O)c1 CC(=O)N(C)[*:1] C=CCCC(=O)Nc1cccc(c1)[*:1]
C=CCCC(=O)Nc1cccc(N(C)C(C)=O)c1 C=CCC[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)[*:1]
C=CCCC(=O)Nc1cccc(N(C)C(C)=O)c1 C=CC[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)C[*:1]
CCn1c(=O)c2c(nc3n(-c4cccc(C)c4)c(C)c(C)n23)n(C)c1=O Cc1cccc(c1)[*:1] CCn1c(=O)c2c(nc3n(c(C)c(C)n23)[*:1])n(C)c1=O
CCN(C(=O)c1cnc2c(O)cccn2c1=O)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)c1cnc2c(O)cccn2c1=O)[*:1]
O=C(c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl)N1CCN(c2ncccn2)CC1 O=S(=O)(N1CCSCC1)[*:1] O=C(c1cc(ccc1Cl)[*:1])N1CCN(CC1)c1ncccn1
O=C(c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1cc(ccc1Cl)S(=O)(=O)N1CCSCC1)N1CCN(CC1)[*:1]
COc1cc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c([N+](=O)[O-])cc1OC O=C(N1CCCC1)[*:1] COc1cc(C(=O)NCc2ccc(cc2)[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)NCc2ccc(cc2)C(=O)N2CCCC2)c(cc1OC)[*:1]
COc1ncnc(N)c1CN1CCC(C(=O)N2CCc3ccccc32)CC1 COc1ncnc(N)c1[*:1] O=C(C1CCN(CC1)C[*:1])N1CCc2ccccc21
CNC(=O)CN1CCCc2ccccc21 CNC(=O)C[*:1] c1ccc2c(c1)CCCN2[*:1]
CNC(=O)CN1CCCc2ccccc21 CNC(=O)[*:1] c1ccc2c(c1)CCCN2C[*:1]
CCCS(=O)(=O)N1CCC(Cn2cnc3ccccc32)CC1 CCC[*:1] O=S(=O)(N1CCC(CC1)Cn1cnc2ccccc21)[*:1]
CC/C(=C\c1ccccc1OC(F)F)C[NH3+] FC(F)[*:1] CC/C(=C\c1ccccc1O[*:1])C[NH3+]
CC/C(=C\c1ccccc1OC(F)F)C[NH3+] FC(F)O[*:1] CC/C(=C\c1ccccc1[*:1])C[NH3+]
Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccccc2CO)c1 Cc1cc(C)cc(c1)[*:1] O=C(CNC(=O)[*:1])NCc1ccccc1CO
Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccccc2CO)c1 OCc1ccccc1[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)NC[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(CNS(C)(=O)=O)o1 CS(=O)(=O)NC[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(o1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(CNS(C)(=O)=O)o1 CS(=O)(=O)N[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(C[*:1])o1
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(CNS(C)(=O)=O)o1 c1cc(cs1)C[*:1] C[C@@H](N(C)C(=O)c1ccc(CNS(C)(=O)=O)o1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(CNS(C)(=O)=O)o1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccc(CNS(C)(=O)=O)o1
CCOC(=O)[C@@H]1C(C)=NC(CCC(=O)Nc2ccccc2C)=C1C Cc1ccccc1[*:1] CCOC(=O)[C@@H]1C(C)=NC(CCC(=O)N[*:1])=C1C
CCOC(=O)[C@@H]1C(C)=NC(CCC(=O)Nc2ccccc2C)=C1C CCOC(=O)[*:1] CC1=NC(CCC(=O)Nc2ccccc2C)=C(C)[C@@H]1[*:1]
CC(C)(C)c1nnc(SCC(=O)Nc2nc3ccccc3s2)o1 CC(C)(C)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1nc2ccccc2s1
O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccccc1)N[*:1]
O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1cccc(F)c1
COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(O)c3)n2C)cc1 COc1ccc(cc1)[*:1] Cn1c(C[*:1])nnc1SCC(=O)Nc1cccc(O)c1
COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(O)c3)n2C)cc1 Oc1cccc(c1)[*:1] COc1ccc(cc1)Cc1nnc(SCC(=O)N[*:1])n1C
COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(O)c3)n2C)cc1 COc1ccc(cc1)C[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1cccc(O)c1
O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 FC(F)(F)c1ccc(nc1)[*:1] O=C(C[NH+]1CCN(CC1)[*:1])Nc1cc(nn1-c1ccccc1)C1CC1
O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(cn1)C(F)(F)F)Nc1cc(nn1[*:1])C1CC1
O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 FC(F)(F)[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(cn1)[*:1])Nc1cc(nn1-c1ccccc1)C1CC1
O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 C1CC1[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(cn1)C(F)(F)F)Nc1cc(nn1-c1ccccc1)[*:1]
CC(=O)N(C)c1nc(/C=C/c2nc3c(ccc4ccccc43)s2)cs1 CC(=O)N(C)[*:1] C(=C/c1nc2c(ccc3ccccc32)s1)\c1csc(n1)[*:1]
NC(=O)c1cccc(C[NH2+][C@@H]2CCc3c(O)cccc32)c1 NC(=O)[*:1] Oc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(c1)[*:1]
Cc1cc(N)n(-c2ccc(C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)cc2)n1 Cc1cc(N)n(n1)[*:1] O=C(NCc1cc(Cl)c2OCCCOc2c1)c1ccc(cc1)[*:1]
O=C1CS[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1CS[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N1[*:1]
O=C1CS[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N1c1ccccc1 Clc1ccccc1[*:1] O=C1CS[C@@]2(C(=O)N(C[*:1])c3ccccc32)N1c1ccccc1
O=C1CS[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N1c1ccccc1 Clc1ccccc1C[*:1] O=C1CS[C@@]2(C(=O)N(c3ccccc32)[*:1])N1c1ccccc1
C[C@H](Sc1ncccn1)C(=O)Nc1cccc(S(N)(=O)=O)c1 c1cnc(nc1)[*:1] C[C@H](S[*:1])C(=O)Nc1cccc(c1)S(N)(=O)=O
C[C@H](Sc1ncccn1)C(=O)Nc1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@H](Sc1ncccn1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](Sc1ncccn1)C(=O)Nc1cccc(S(N)(=O)=O)c1 c1cnc(nc1)S[*:1] C[C@H](C(=O)Nc1cccc(c1)S(N)(=O)=O)[*:1]
CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN(c3ncccn3)C2)c1C c1cnc(nc1)[*:1] CCn1nc(C)c(c1C)[C@@H](C)[NH2+]C[C@H]1CCCN(C1)[*:1]
CC(=O)c1cccc(NC(=S)NC(=O)/C=C\c2ccco2)c1 C(=C[*:1])c1ccco1 CC(=O)c1cccc(c1)NC(=S)NC(=O)[*:1]
CC(=O)c1cccc(NC(=S)NC(=O)/C=C\c2ccco2)c1 c1coc(c1)[*:1] CC(=O)c1cccc(c1)NC(=S)NC(=O)C=C[*:1]
CC(=O)c1cccc(NC(=S)NC(=O)/C=C\c2ccco2)c1 CC(=O)[*:1] O=C(/C=C\c1ccco1)NC(=S)Nc1cccc(c1)[*:1]
C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCC[C@@H]1[*:1])c1ccc(cc1)N1CCCC1=O
C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(CNC(=O)N(C)[C@H]2CCC[C@H](C)C2)cc1 CC(C)C(=O)N[*:1] C[C@H]1CCC[C@@H](C1)N(C)C(=O)NCc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(CNC(=O)N(C)[C@H]2CCC[C@H](C)C2)cc1 CC(C)[*:1] C[C@H]1CCC[C@@H](C1)N(C)C(=O)NCc1ccc(cc1)NC(=O)[*:1]
C[C@@H](NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21)C(=O)Nc1ccc(Br)cc1 O=C(Nc1ccc(Br)cc1)[*:1] C[C@@H](NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21)[*:1]
C[C@@H](NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21)C(=O)N[*:1]
CCN(CC)C(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 CCN(CC)C(=O)[*:1] O=c1cc(nc([nH]1)SC[*:1])-c1ccccc1
CCN(CC)C(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 c1ccc(cc1)[*:1] CCN(CC)C(=O)CSc1nc(cc(=O)[nH]1)[*:1]
O=C(Nc1noc2ccccc12)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(Nc1noc2ccccc12)[*:1]
COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1-c1cccs1 c1csc(c1)[*:1] COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1[*:1]
COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1-c1cccs1 COC(=O)[*:1] O=S(=O)(Nc1ccccc1-c1cccs1)c1ccsc1[*:1]
Cc1cc(C)cc(N2CC[C@@H](C(=O)NNC(=O)NC(C)C)C2=O)c1 CC(C)[*:1] Cc1cc(C)cc(c1)N1CC[C@@H](C(=O)NNC(=O)N[*:1])C1=O
Cc1cc(C)cc(N2CC[C@@H](C(=O)NNC(=O)NC(C)C)C2=O)c1 Cc1cc(C)cc(c1)[*:1] CC(C)NC(=O)NNC(=O)[C@@H]1CCN(C1=O)[*:1]
Cn1nc(C(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c2c1CCCC2 c1ccc2[nH]c(nc2c1)[*:1] Cn1nc(C(=O)N2CCC[C@H](C2)C[*:1])c2CCCCc21
CCc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccc(OC)cc34)CC2)cc1 CCc1ccc(cc1)[*:1] COc1ccc2[nH]cc(c2c1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccccc3Cl)CC2)cc1C Clc1ccccc1C[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)O[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccccc3Cl)CC2)cc1C Clc1ccccc1[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)OC[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccccc3Cl)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(OCc1ccccc1Cl)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc([C@@H]2[C@H](C(=O)NC[C@H](O)C[NH+](C)C)OCC(=O)N2C)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)CO[C@@H](C(=O)NC[C@H](O)C[NH+](C)C)[C@H]1[*:1]
CS(=O)(=O)c1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2cc[nH]c2c1
COC(=O)C(C)(C)CO[C@H]1CCC[C@H](OC)C1 COC(=O)[*:1] CO[C@H]1CCC[C@@H](C1)OCC(C)(C)[*:1]
O=C(Nc1ccc(F)c(F)c1F)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(Nc1ccc(F)c(F)c1F)N1CCC(CC1)O[*:1]
O=C(Nc1ccc(F)c(F)c1F)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(F)c1F)N1CCC(CC1)OC[*:1]
O=C(Nc1ccc(F)c(F)c1F)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C(Nc1ccc(F)c(F)c1F)N1CCC(CC1)[*:1]
O=C(Nc1ccc(F)c(F)c1F)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(c(F)c1F)[*:1] O=C(N[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=S(=O)(c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=S(=O)(c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] O=S(=O)(N(C[C@@H]1CCCO1)C[C@@H]1CCCO1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)C[*:1]
CCSCc1ccnc(NCc2cnc(-c3ccsc3)s2)c1 c1cc(cs1)[*:1] CCSCc1ccnc(c1)NCc1cnc(s1)[*:1]
CCSCc1ccnc(NCc2cnc(-c3ccsc3)s2)c1 CCSC[*:1] c1cc(cc(n1)NCc1cnc(s1)-c1ccsc1)[*:1]
CCSCc1ccnc(NCc2cnc(-c3ccsc3)s2)c1 CCS[*:1] c1cc(cc(n1)NCc1cnc(s1)-c1ccsc1)C[*:1]
CCC(CC)n1nccc1C(=O)N1CCc2c(sc(N)c2C#N)C1 CCC(CC)[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)c1ccnn1[*:1]
CCOC(=O)c1ccc(N(C)Cc2ccc(F)c(F)c2)nc1 CCOC(=O)[*:1] CN(Cc1ccc(F)c(F)c1)c1ccc(cn1)[*:1]
CC1(C)CC2=NC(=O)[C@H](C(=O)[O-])C=C2CS1 O=C([O-])[*:1] CC1(C)CC2=NC(=O)[C@H](C=C2CS1)[*:1]
Cn1nccc1CNC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O Cn1nccc1[*:1] NC(=O)[C@@H](CNC(=O)NC[*:1])Cc1ccc(F)cc1
Cn1nccc1CNC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O Cn1nccc1C[*:1] NC(=O)[C@@H](CNC(=O)N[*:1])Cc1ccc(F)cc1
Cn1nccc1CNC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O Fc1ccc(cc1)[*:1] Cn1nccc1CNC(=O)NC[C@@H](C[*:1])C(N)=O
Cn1nccc1CNC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O Fc1ccc(cc1)C[*:1] Cn1nccc1CNC(=O)NC[C@@H](C(N)=O)[*:1]
Cn1nccc1CNC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O NC(=O)[*:1] Cn1nccc1CNC(=O)NC[C@@H](Cc1ccc(F)cc1)[*:1]
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[*:1]
CC[C@@H](C(=O)N1CCC[C@@H]1c1nc(C2CC2)no1)c1ccccc1 C1CC1c1noc(n1)[*:1] CC[C@@H](C(=O)N1CCC[C@H]1[*:1])c1ccccc1
CC[C@@H](C(=O)N1CCC[C@@H]1c1nc(C2CC2)no1)c1ccccc1 C1CC1[*:1] CC[C@@H](C(=O)N1CCC[C@@H]1c1nc(no1)[*:1])c1ccccc1
CC[C@@H](C(=O)N1CCC[C@@H]1c1nc(C2CC2)no1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCC[C@@H]1c1nc(no1)C1CC1)[*:1]
COc1ccccc1OCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 COc1ccccc1OC[*:1] O=C(N1CCC[C@H](C1)[C@@H]1C[C@H](C(F)F)n2ncnc2N1)[*:1]
COc1ccccc1OCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 COc1ccccc1[*:1] O=C(CO[*:1])N1CCC[C@H](C1)[C@@H]1C[C@H](C(F)F)n2ncnc2N1
COc1ccccc1OCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 FC(F)[*:1] COc1ccccc1OCC(=O)N1CCC[C@H](C1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
COc1ccccc1OCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 COc1ccccc1O[*:1] O=C(C[*:1])N1CCC[C@H](C1)[C@@H]1C[C@H](C(F)F)n2ncnc2N1
CCOc1ccc2[nH]c(C(=O)N3CCC(OCc4ccccc4)CC3)cc2c1 CCO[*:1] O=C(c1cc2cc(ccc2[nH]1)[*:1])N1CCC(CC1)OCc1ccccc1
CCOc1ccc2[nH]c(C(=O)N3CCC(OCc4ccccc4)CC3)cc2c1 c1ccc(cc1)CO[*:1] CCOc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)[*:1]
CCOc1ccc2[nH]c(C(=O)N3CCC(OCc4ccccc4)CC3)cc2c1 c1ccc(cc1)C[*:1] CCOc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)O[*:1]
CCOc1ccc2[nH]c(C(=O)N3CCC(OCc4ccccc4)CC3)cc2c1 c1ccc(cc1)[*:1] CCOc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)OC[*:1]
CCCCCC(=O)N(CC)CC(C)(C)O CCCC[*:1] CCN(CC(C)(C)O)C(=O)C[*:1]
CCCCCC(=O)N(CC)CC(C)(C)O CCCCC[*:1] CCN(CC(C)(C)O)C(=O)[*:1]
CCCCCC(=O)N(CC)CC(C)(C)O CCC[*:1] CCN(CC(C)(C)O)C(=O)CC[*:1]
CCCCCC(=O)N(CC)CC(C)(C)O CC(C)(O)C[*:1] CCCCCC(=O)N(CC)[*:1]
CCCCCC(=O)N(CC)CC(C)(C)O CC(C)(O)[*:1] CCCCCC(=O)N(CC)C[*:1]
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC1CC1 C1CC1[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[*:1]
Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(F)c(Cl)c1
Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cnn1-c1ccccc1 Fc1ccc(cc1Cl)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(C1CCOCC1)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 C1CC(CCO1)[*:1] O=C1N(CCC[C@]12CCN(C2)C(=O)[*:1])C1CCCCC1
O=C(C1CCOCC1)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 C1CCC(CC1)[*:1] O=C(C1CCOCC1)N1CC[C@]2(CCCN(C2=O)[*:1])C1
CNC(=O)[C@H]1CCCN1C(=O)CSc1ccc(OC)cc1 CNC(=O)[*:1] COc1ccc(cc1)SCC(=O)N1CCC[C@@H]1[*:1]
CC(C)n1nnnc1-c1cccc(C(=O)NCc2ccc(Cl)cc2)c1 CC(C)[*:1] O=C(NCc1ccc(Cl)cc1)c1cccc(c1)-c1nnnn1[*:1]
CC(C)n1nnnc1-c1cccc(C(=O)NCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC(C)n1nnnc1-c1cccc(c1)C(=O)NC[*:1]
CC(C)n1nnnc1-c1cccc(C(=O)NCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)C[*:1] CC(C)n1nnnc1-c1cccc(c1)C(=O)N[*:1]
CC(C)n1nnnc1-c1cccc(C(=O)NCc2ccc(Cl)cc2)c1 CC(C)n1nnnc1[*:1] O=C(NCc1ccc(Cl)cc1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1)[*:1]
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1cccs1 C[C@@H](NC(=O)[*:1])c1cccs1 O=S(=O)(c1ccc2OCCCOc2c1)N1CCC(CC1)[*:1]
CN(C)C(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)C)C2)cc1 CN(C)C(=O)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)N1CCC[C@@H](C1)[*:1]
CN(C)C(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)C)C2)cc1 CN(C)C(=O)[*:1] CN(C)C(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
Cc1cc(C(=O)CSc2nnnn2C)c(C)n1C Cn1nnnc1[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1C
CC[C@H](Br)C(=O)Nc1ccccc1C CC[C@H](Br)[*:1] Cc1ccccc1NC(=O)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(-c2ccc[nH]2)cs1)C(C)C c1c[nH]c(c1)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(cs1)[*:1])C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(-c2ccc[nH]2)cs1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(cs1)-c1ccc[nH]1)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(-c2ccc[nH]2)cs1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1nc(cs1)-c1ccc[nH]1
CC(C)NC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 CC(C)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1)C(=O)N[*:1]
O=C(NC1CCC(O)CC1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NC1CCC(O)CC1)c1ccc(cc1)[*:1]
CN(Cc1ccc(C(=O)[O-])cc1)c1ccccc1N O=C([O-])[*:1] CN(Cc1ccc(cc1)[*:1])c1ccccc1N
CC(C)COC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 CC(C)C[*:1] C[C@@H](CO[*:1])[NH2+][C@@H](C)c1cccc(F)c1
CC(C)COC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 CC(C)CO[*:1] C[C@@H](C[*:1])[NH2+][C@@H](C)c1cccc(F)c1
CC(C)COC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 CC(C)COC[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1cccc(F)c1
CC(C)COC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 CC(C)[*:1] C[C@@H](COC[*:1])[NH2+][C@@H](C)c1cccc(F)c1
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc2[nH]c(=S)oc2c1 Cc1nn(C)c(C)c1[*:1] C[C@@H](C[*:1])NC(=O)c1ccc2[nH]c(=S)oc2c1
CC(C)CCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 CC(C)[*:1] NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCC[*:1]
CC(C)CCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 CC(C)CC[*:1] NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
CC(C)CCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CC(C)CCNC(=O)c1ccc(Cl)c(c1)[*:1]
CC(C)CCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 CC(C)C[*:1] NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC[*:1]
CCSCC[C@@H](C)N(C)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] CCSCC[C@@H](C)N(C)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CCSCC[C@@H](C)N(C)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 CCSCC[*:1] C[C@@H](N(C)C(=O)[C@H]1CCCN(C1)C(=O)c1cccs1)[*:1]
CCSCC[C@@H](C)N(C)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 CCSC[*:1] C[C@H](C[*:1])N(C)C(=O)[C@H]1CCCN(C1)C(=O)c1cccs1
CCSCC[C@@H](C)N(C)C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 CCS[*:1] C[C@H](CC[*:1])N(C)C(=O)[C@H]1CCCN(C1)C(=O)c1cccs1
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCC(=O)[O-])cc1 O=C([O-])CO[*:1] C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(cc1)[*:1]
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCC(=O)[O-])cc1 O=C([O-])[*:1] C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(cc1)OC[*:1]
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCC(=O)[O-])cc1 O=C([O-])C[*:1] C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(cc1)O[*:1]
O=C(C[NH+]1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(C[NH+]1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O)N[*:1]
O=C(C[NH+]1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O)Nc1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] O=C(C[NH+]1CCC2(CC1)NC(=O)N(C[*:1])C2=O)Nc1ccc2OCOc2c1
O=C(C[NH+]1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O)Nc1ccc2c(c1)OCO2 Clc1ccc(cc1)C[*:1] O=C(C[NH+]1CCC2(CC1)NC(=O)N(C2=O)[*:1])Nc1ccc2OCOc2c1
COCCCn1ccc(NC(=O)C(=O)N[C@@H]2CCCCc3ccccc32)n1 COCC[*:1] O=C(Nc1ccn(C[*:1])n1)C(=O)N[C@@H]1CCCCc2ccccc21
COCCCn1ccc(NC(=O)C(=O)N[C@@H]2CCCCc3ccccc32)n1 COC[*:1] O=C(Nc1ccn(CC[*:1])n1)C(=O)N[C@@H]1CCCCc2ccccc21
COCCCn1ccc(NC(=O)C(=O)N[C@@H]2CCCCc3ccccc32)n1 COCCC[*:1] O=C(Nc1ccn(n1)[*:1])C(=O)N[C@@H]1CCCCc2ccccc21
Cc1c(C(=O)N2CCC[C@@H](c3nccs3)C2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC[C@H](C1)c1nccs1
Cc1c(C(=O)N2CCC[C@@H](c3nccs3)C2)cnn1-c1ccncc1 c1csc(n1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(COc1cccc(c1)NC(=O)c1ccco1)N[*:1]
Cc1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1Cl O=C(N[*:1])c1ccco1 Cc1ccc(cc1Cl)NC(=O)COc1cccc(c1)[*:1]
Cc1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1Cl c1coc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)COc1cccc(c1)NC(=O)[*:1]
O=C1[C@H]2N=C(c3ccccc3)O[C@@H]2C[C@H](CCO)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@H]2N=C(O[C@@H]2C[C@H](CCO)N1[*:1])c1ccccc1
O=C1[C@H]2N=C(c3ccccc3)O[C@@H]2C[C@H](CCO)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2N=C(O[C@@H]2C[C@H](CCO)N1Cc1ccccc1)[*:1]
O=C1[C@H]2N=C(c3ccccc3)O[C@@H]2C[C@H](CCO)N1Cc1ccccc1 OCC[*:1] O=C1[C@H]2N=C(O[C@@H]2C[C@H](N1Cc1ccccc1)[*:1])c1ccccc1
O=C1[C@H]2N=C(c3ccccc3)O[C@@H]2C[C@H](CCO)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2N=C(O[C@@H]2C[C@H](CCO)N1C[*:1])c1ccccc1
Cc1cc(CN(C)c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])no1 Cc1cc(no1)[*:1] CN(C[*:1])c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C(F)(F)F
Cc1cc(CN(C)c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])no1 O=[N+]([O-])[*:1] Cc1cc(CN(C)c2ccc(cc2[*:1])S(=O)(=O)C(F)(F)F)no1
Cc1cc(CN(C)c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])no1 FC(F)(F)[*:1] Cc1cc(CN(C)c2ccc(cc2[N+](=O)[O-])S(=O)(=O)[*:1])no1
Cc1cc(CN(C)c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])no1 O=S(=O)(C(F)(F)F)[*:1] Cc1cc(CN(C)c2ccc(cc2[N+](=O)[O-])[*:1])no1
Cc1cc(CN(C)c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])no1 Cc1cc(C[*:1])no1 CN(c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C(F)(F)F)[*:1]
CC[C@H](C)NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccncc1 CN(C)S(=O)(=O)[*:1] CC[C@H](C)NC(=O)c1cc2cc(ccc2n1Cc1ccncc1)[*:1]
CC[C@H](C)NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccncc1 c1cc(ccn1)[*:1] CC[C@H](C)NC(=O)c1cc2cc(ccc2n1C[*:1])S(=O)(=O)N(C)C
CC[C@H](C)NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1Cc1ccncc1 c1cc(ccn1)C[*:1] CC[C@H](C)NC(=O)c1cc2cc(ccc2n1[*:1])S(=O)(=O)N(C)C
CCS[C@H]1CCCC[C@H]1NC(=O)N[C@H](C)C(=O)N[C@H](C)CC CC[C@@H](C)[*:1] CCS[C@H]1CCCC[C@H]1NC(=O)N[C@H](C)C(=O)N[*:1]
CCS[C@H]1CCCC[C@H]1NC(=O)N[C@H](C)C(=O)N[C@H](C)CC CC[C@@H](C)NC(=O)[*:1] CCS[C@H]1CCCC[C@H]1NC(=O)N[C@H](C)[*:1]
CCS[C@H]1CCCC[C@H]1NC(=O)N[C@H](C)C(=O)N[C@H](C)CC CCS[*:1] CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1[*:1]
C[C@H]1CN(C(=O)c2cc[nH]c(=O)c2)[C@@H](C)CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(C(=O)c2cc[nH]c(=O)c2)[C@@H](C)CN1C(=O)O[*:1]
C[C@H]1CN(C(=O)c2cc[nH]c(=O)c2)[C@@H](C)CN1C(=O)OC(C)(C)C O=c1cc(cc[nH]1)[*:1] C[C@H]1CN(C(=O)[*:1])[C@@H](C)CN1C(=O)OC(C)(C)C
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nc(cs1)[*:1]
Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCc4ccccc4)c(C)nc32)cc1 Cc1ccc(cc1)[*:1] Cc1nc2c(c(C)nn2[*:1])c(C)c1CCC(=O)NCc1ccccc1
Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCc4ccccc4)c(C)nc32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc(C)c2c(C)c(CCC(=O)NC[*:1])c(C)nc21
Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCc4ccccc4)c(C)nc32)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1nc(C)c2c(C)c(CCC(=O)N[*:1])c(C)nc21
Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCc4ccccc4)c(C)nc32)cc1 O=C(NCc1ccccc1)[*:1] Cc1ccc(cc1)-n1nc(C)c2c(C)c(CC[*:1])c(C)nc21
O=C(NCCCc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 c1ccc(cc1)CCC[*:1] O=C(N[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCOCC1
O=C(NCCCc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(NCCCc1ccccc1)c1ccc(F)c(c1)[*:1]
O=C(NCCCc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCOCC1
O=C(NCCCc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCOCC1
O=C(NCCCc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 c1ccc(cc1)CC[*:1] O=C(NC[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCOCC1
CC1(C)CCN1C(=O)c1nn(-c2ccccc2F)c2c1CCC2 Fc1ccccc1[*:1] CC1(C)CCN1C(=O)c1nn(c2CCCc12)[*:1]
O=C(NCCO)NC[C@@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] O=C(NCCO)NC[C@@H]([NH+]1CCCC1)[*:1]
O=C(NCCO)NC[C@@H](c1ccccc1)[NH+]1CCCC1 OCC[*:1] O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)C1=COCCO1)n2CC(=O)OC COC(=O)[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)C1=COCCO1)n2C[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)C1=COCCO1)n2CC(=O)OC COC(=O)C[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)C1=COCCO1)n2[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)C1=COCCO1)n2CC(=O)OC CCOC(=O)[*:1] COC(=O)Cn1/c(=N/C(=O)C2=COCCO2)sc2cc(ccc21)[*:1]
Cc1ccc(-n2nnnc2NCCC(=O)Nc2ccc(Br)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(CCNc1nnnn1[*:1])Nc1ccc(Br)cc1
Cc1ccc(-n2nnnc2NCCC(=O)Nc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nnnc1NCCC(=O)N[*:1]
N#C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1F Clc1ccc(s1)[*:1] N#C[C@H](NS(=O)(=O)[*:1])c1ccccc1F
C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCCn1cccc1 c1ccn(c1)C[*:1] C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NC[*:1]
C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCCn1cccc1 c1ccn(c1)[*:1] C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCC[*:1]
C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCCn1cccc1 c1ccn(c1)CC[*:1] C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N[*:1]
Cc1ccc(C(=O)[C@@H](C)Br)cc1Cl C[C@@H](Br)[*:1] Cc1ccc(cc1Cl)C(=O)[*:1]
CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cccnc1N1CCCCC1 O=C(NC1CC1)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1cccnc1N1CCCCC1
CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cccnc1N1CCCCC1 C1CCN(CC1)[*:1] CN(Cc1ccc(cc1)C(=O)NC1CC1)C(=O)c1cccnc1[*:1]
CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cccnc1N1CCCCC1 C1CC1[*:1] CN(Cc1ccc(cc1)C(=O)N[*:1])C(=O)c1cccnc1N1CCCCC1
COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CN([C@H](C)C1CC1)S(=O)(=O)[*:1]
COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)c2cccs2)cc1 C1CC1[*:1] COc1ccc(cc1)CN([C@H](C)[*:1])S(=O)(=O)c1cccs1
Cc1c(Cl)cccc1NC(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 Cc1c(Cl)cccc1[*:1] O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)N[*:1]
Cc1c(Cl)cccc1NC(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)CSc1nnc(C[NH+]2CCCCC2)n1[*:1]
CCc1noc(CC)c1CNC(=O)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CCc1noc(CC)c1CNC(=O)N1CCC[C@@H]1[*:1]
CCc1noc(CC)c1CNC(=O)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CCc1noc(CC)c1CNC(=O)N1CCC[C@H]1C[*:1]
COc1ccccc1C[NH2+]C[C@H](c1cccs1)N1CCCC1 c1csc(c1)[*:1] COc1ccccc1C[NH2+]C[C@H](N1CCCC1)[*:1]
COc1ccccc1C[NH2+]C[C@H](c1cccs1)N1CCCC1 C1CCN(C1)[*:1] COc1ccccc1C[NH2+]C[C@H](c1cccs1)[*:1]
C[C@H]1Cc2ccccc2N(CCCS)C1 SCC[*:1] C[C@H]1Cc2ccccc2N(C1)C[*:1]
C[C@H]1Cc2ccccc2N(CCCS)C1 SCCC[*:1] C[C@H]1Cc2ccccc2N(C1)[*:1]
Cc1ccccc1O[C@@H](C)CNc1ccc([N+](=O)[O-])nc1 O=[N+]([O-])[*:1] Cc1ccccc1O[C@@H](C)CNc1ccc(nc1)[*:1]
Cc1ccccc1O[C@@H](C)CNc1ccc([N+](=O)[O-])nc1 Cc1ccccc1[*:1] C[C@@H](CNc1ccc(nc1)[N+](=O)[O-])O[*:1]
CC[NH+](CCNC(=O)C(=O)Nc1cccc(F)c1C)C1CC1 C1CC1[*:1] CC[NH+](CCNC(=O)C(=O)Nc1cccc(F)c1C)[*:1]
O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N[C@@H]1CCc2c(O)cccc21 FC(F)(F)[*:1] O=C(CN[C@@H](c1ccccc1)[*:1])N[C@@H]1CCc2c(O)cccc21
O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N[C@@H]1CCc2c(O)cccc21 c1ccc(cc1)[*:1] O=C(CN[C@@H](C(F)(F)F)[*:1])N[C@@H]1CCc2c(O)cccc21
O=S(=O)(NC[C@H]1CCOC1)c1ccc(Cl)c(C(F)(F)F)c1 C1C[C@@H](CO1)C[*:1] O=S(=O)(N[*:1])c1ccc(Cl)c(c1)C(F)(F)F
O=S(=O)(NC[C@H]1CCOC1)c1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)(NC[C@H]1CCOC1)c1ccc(Cl)c(c1)[*:1]
O=S(=O)(NC[C@H]1CCOC1)c1ccc(Cl)c(C(F)(F)F)c1 C1C[C@@H](CO1)[*:1] O=S(=O)(NC[*:1])c1ccc(Cl)c(c1)C(F)(F)F
O=C([O-])c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCC[NH2+][C@@H]1[C@H](SC2COC2)CCCC1(C)C C1OCC1[*:1] CCC[NH2+][C@@H]1[C@@H](CCCC1(C)C)S[*:1]
CCC[NH2+][C@@H]1[C@H](SC2COC2)CCCC1(C)C C1OCC1S[*:1] CCC[NH2+][C@@H]1[C@H](CCCC1(C)C)[*:1]
CCC[NH2+][C@@H]1[C@H](SC2COC2)CCCC1(C)C CCC[*:1] CC1(C)CCC[C@@H](SC2COC2)[C@H]1[NH2+][*:1]
Cc1ccsc1-c1cccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)c1 Cc1ccsc1[*:1] O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](c1ccc(F)cc1)S(=O)(=O)C[*:1]
COC(=O)c1cccc(-c2cccc(C#N)n2)n1 COC(=O)[*:1] N#Cc1cccc(n1)-c1cccc(n1)[*:1]
Cc1c(Cl)cccc1NNC(=O)NCc1[nH+]ccn1CC(C)C CC(C)C[*:1] Cc1c(Cl)cccc1NNC(=O)NCc1[nH+]ccn1[*:1]
Cc1c(Cl)cccc1NNC(=O)NCc1[nH+]ccn1CC(C)C CC(C)[*:1] Cc1c(Cl)cccc1NNC(=O)NCc1[nH+]ccn1C[*:1]
O=C(C[S@@](=O)Cc1ccc(F)c(F)c1)Nc1ccc2c(c1)OCO2 Fc1ccc(cc1F)[*:1] O=C(C[S@@](=O)C[*:1])Nc1ccc2OCOc2c1
CC(C)(CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCCC2 O=C([O-])C[*:1] CC(C)(CC(=O)Nc1sc2CCCCCCc2c1C#N)[*:1]
CC(C)(CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCCC2 CC(C)(CC(=O)[O-])C[*:1] N#Cc1c(NC(=O)[*:1])sc2CCCCCCc21
CC(C)(CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCCC2 O=C([O-])[*:1] CC(C)(CC(=O)Nc1sc2CCCCCCc2c1C#N)C[*:1]
COCCCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 COCCC[*:1] O=C(CSc1nc2ccccc2c2nc3ccccc3n12)N[*:1]
COCCCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 COC[*:1] O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCC[*:1]
COCCCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 COCCCNC(=O)C[*:1] c1ccc2c(c1)nc(S[*:1])n1c3ccccc3nc21
COCCCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 COCC[*:1] O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NC[*:1]
COCCCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 COCCCNC(=O)[*:1] c1ccc2c(c1)nc(SC[*:1])n1c3ccccc3nc21
O=C([O-])Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 O=C([O-])[*:1] O=C(Cc1ccc(Br)cc1)Nc1ccc(cc1)C[*:1]
O=C([O-])Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 O=C([O-])C[*:1] O=C(Cc1ccc(Br)cc1)Nc1ccc(cc1)[*:1]
O=C([O-])Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] O=C([O-])Cc1ccc(cc1)NC(=O)C[*:1]
CC(C)COc1ccc(CNC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cc1 CC(C)C[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCc1ccc(cc1)O[*:1]
CC(C)COc1ccc(CNC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cc1 CC(C)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCc1ccc(cc1)OC[*:1]
CC(C)COc1ccc(CNC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cc1 CC(C)CO[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCc1ccc(cc1)[*:1]
O=C(O[C@@H]1CCOC1)c1ccc2c(c1)OCO2 C1C[C@H](CO1)[*:1] O=C(O[*:1])c1ccc2OCOc2c1
CCCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 CCC[*:1] O=C(C[*:1])Nc1cccc(c1)NC(=O)c1ccco1
CCCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 CCCCC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ccco1
CCCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] CCCCC(=O)Nc1cccc(c1)NC(=O)[*:1]
CCCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 CCCC[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1ccco1
C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2)CCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H]1CN(CCN1C(=O)O[*:1])Cc1cccc(c1)C(=O)[O-]
C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2)CCN1C(=O)OC(C)(C)C O=C([O-])[*:1] C[C@@H]1CN(CCN1C(=O)OC(C)(C)C)Cc1cccc(c1)[*:1]
C[NH+](Cc1cn[nH]c1-c1ccc(F)cc1)Cc1cccn1-c1cccnc1 c1cncc(c1)[*:1] C[NH+](Cc1cn[nH]c1-c1ccc(F)cc1)Cc1cccn1[*:1]
C[NH+](Cc1cn[nH]c1-c1ccc(F)cc1)Cc1cccn1-c1cccnc1 Fc1ccc(cc1)[*:1] C[NH+](Cc1cn[nH]c1[*:1])Cc1cccn1-c1cccnc1
CC(C)[C@@](C)(O)CNC(=O)C(=O)N1CC[C@@H](C)c2ccccc21 CC(C)[*:1] C[C@@H]1CCN(C(=O)C(=O)NC[C@@](C)(O)[*:1])c2ccccc21
Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)nn3)C2)cc1 Clc1ccc(nn1)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)nn3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)nn1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(NNC(=S)Nc1cccc(Cl)c1)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C(NNC(=S)Nc1cccc(Cl)c1)[*:1]
O=C(NNC(=S)Nc1cccc(Cl)c1)c1cncc(Br)c1 Clc1cccc(c1)[*:1] O=C(NNC(=S)N[*:1])c1cncc(Br)c1
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1OC(=O)N1CCOCC1 O=C(O[*:1])N1CCOCC1 COc1cc(cc(OC)c1[*:1])[C@@H]1C(C#N)=C(N)OC2CCCC(=O)C=21
COc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)CNC(=O)Nc1cc(ccc1C)[*:1]
COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCN(CC1)[*:1]
COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc(F)cc2)CC1 CC(C)(C)[*:1] COc1ccccc1[C@H](c1nnnn1[*:1])N1CCN(CC1)c1ccc(F)cc1
COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc(F)cc2)CC1 COc1ccccc1[*:1] CC(C)(C)n1nnnc1[C@H](N1CCN(CC1)c1ccc(F)cc1)[*:1]
COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc(F)cc2)CC1 CC(C)(C)n1nnnc1[*:1] COc1ccccc1[C@H](N1CCN(CC1)c1ccc(F)cc1)[*:1]
CNC(=O)c1cc(NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)ccc1F CNC(=O)[*:1] Cc1cc(C(=O)Nc2ccc(F)c(c2)[*:1])c2c(=O)[nH]n(C)c2n1
N#Cc1ccccc1C(=O)N1CCC[C@H](CCc2ccccc2F)C1 N#Cc1ccccc1[*:1] O=C(N1CCC[C@H](CCc2ccccc2F)C1)[*:1]
N#Cc1ccccc1C(=O)N1CCC[C@H](CCc2ccccc2F)C1 Fc1ccccc1[*:1] N#Cc1ccccc1C(=O)N1CCC[C@H](CC[*:1])C1
N#Cc1ccccc1C(=O)N1CCC[C@H](CCc2ccccc2F)C1 Fc1ccccc1C[*:1] N#Cc1ccccc1C(=O)N1CCC[C@@H](C1)C[*:1]
CNC(=O)c1cccnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CNC(=O)[*:1] CC(C)(C)C(=O)NC[C@H]1CCCN(C1)c1ncccc1[*:1]
CNC(=O)c1cccnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)C(=O)N[*:1] CNC(=O)c1cccnc1N1CCC[C@@H](C1)C[*:1]
CNC(=O)c1cccnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)[*:1] CNC(=O)c1cccnc1N1CCC[C@H](CNC(=O)[*:1])C1
CNC(=O)c1cccnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)C(=O)NC[*:1] CNC(=O)c1cccnc1N1CCC[C@H](C1)[*:1]
CON(C)C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O CON(C)C(=O)C[*:1] C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C2=O)[*:1]
CON(C)C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O CON(C)C(=O)[*:1] C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[*:1])C2=O
CCC[C@H]([NH3+])CCC[C@H]1COc2ccccc21 CCC[*:1] [NH3+][C@H](CCC[C@H]1COc2ccccc21)[*:1]
O=C(c1ccc(Oc2ccccc2)o1)N1CCC(OCc2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(O[*:1])o1)N1CCC(CC1)OCc1ccccc1F
O=C(c1ccc(Oc2ccccc2)o1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1ccc(Oc2ccccc2)o1)N1CCC(CC1)OC[*:1]
O=C(c1ccc(Oc2ccccc2)o1)N1CCC(OCc2ccccc2F)CC1 c1ccc(cc1)O[*:1] O=C(c1ccc(o1)[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(c1ccc(Oc2ccccc2)o1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(c1ccc(Oc2ccccc2)o1)N1CCC(CC1)O[*:1]
O=C(c1ccc(Oc2ccccc2)o1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] O=C(c1ccc(Oc2ccccc2)o1)N1CCC(CC1)[*:1]
CCc1nc(CS(=O)(=O)CCOC2CCCCCC2)cs1 CCc1nc(cs1)[*:1] O=S(=O)(CCOC1CCCCCC1)C[*:1]
CCc1nc(CS(=O)(=O)CCOC2CCCCCC2)cs1 C1CCCC(CC1)[*:1] CCc1nc(cs1)CS(=O)(=O)CCO[*:1]
C[NH2+][C@H](CCc1ccc(Cl)cc1F)C(C)(C)C CC(C)(C)[*:1] C[NH2+][C@H](CCc1ccc(Cl)cc1F)[*:1]
O=C1C(=O)N(Cc2ccc(Cl)cc2)c2cc(F)c(Cl)cc21 Clc1ccc(cc1)[*:1] O=C1C(=O)N(C[*:1])c2cc(F)c(Cl)cc21
Cc1cccc2c1N[C@H](c1ccc(C(C)C)c([N+](=O)[O-])c1)NC2=O O=[N+]([O-])[*:1] Cc1cccc2C(=O)N[C@H](Nc12)c1ccc(c(c1)[*:1])C(C)C
Cc1cccc2c1N[C@H](c1ccc(C(C)C)c([N+](=O)[O-])c1)NC2=O CC(C)[*:1] Cc1cccc2C(=O)N[C@H](Nc12)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)Nc1cccc(C)c1)=C(C)N2 O=[N+]([O-])[*:1] CCSc1nc2NC(C)=C(C(=O)Nc3cccc(C)c3)[C@H](c3ccccc3[*:1])n2n1
CCSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)Nc1cccc(C)c1)=C(C)N2 CCS[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccc(C)c1)c1ccccc1[N+](=O)[O-])[*:1]
CCSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)Nc1cccc(C)c1)=C(C)N2 O=[N+]([O-])c1ccccc1[*:1] CCSc1nc2NC(C)=C(C(=O)Nc3cccc(C)c3)[C@H](n2n1)[*:1]
CCSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)Nc1cccc(C)c1)=C(C)N2 Cc1cccc(c1)NC(=O)[*:1] CCSc1nc2NC(C)=C([C@H](c3ccccc3[N+](=O)[O-])n2n1)[*:1]
CCSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)Nc1cccc(C)c1)=C(C)N2 Cc1cccc(c1)[*:1] CCSc1nc2NC(C)=C(C(=O)N[*:1])[C@H](c3ccccc3[N+](=O)[O-])n2n1
Cn1nccc1C[NH+]1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 Cn1nccc1[*:1] NC(=O)c1cccc(c1)-c1ccc(nc1)C1CC[NH+](CC1)C[*:1]
Cn1nccc1C[NH+]1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 NC(=O)c1cccc(c1)[*:1] Cn1nccc1C[NH+]1CCC(CC1)c1ccc(cn1)[*:1]
Cn1nccc1C[NH+]1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 NC(=O)[*:1] Cn1nccc1C[NH+]1CCC(CC1)c1ccc(cn1)-c1cccc(c1)[*:1]
Cc1ccc(/C([O-])=N/S(=O)(=O)c2ccc(C#N)cc2)s1 Cc1ccc(s1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1 Cc1ocnc1C[*:1] CC(C)(C)Oc1ccc(cc1)NC(=O)C(=O)N[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1 Cc1ocnc1[*:1] CC(C)(C)Oc1ccc(cc1)NC(=O)C(=O)NC[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ocnc1CNC(=O)C(=O)Nc1ccc(cc1)O[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)cc1 CC(C)(C)O[*:1] Cc1ocnc1CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCCc1nnc(NC(=O)Cn2ncc3c2c(C)nn3C)s1 CCC[*:1] Cc1nn(C)c2cnn(CC(=O)Nc3nnc(s3)[*:1])c12
C/C=C\C(=O)NC[C@H]1OCCc2ccccc21 CC=C[*:1] O=C(NC[C@H]1OCCc2ccccc21)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)CC1(O)CCCCC1 c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)CC1(O)CCCCC1)[*:1]
COCCCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O COCC[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1C[*:1])c1nc2ccccc2c(=O)[nH]1
COCCCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O COC[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1CC[*:1])c1nc2ccccc2c(=O)[nH]1
COCCCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O COCCC[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1[*:1])c1nc2ccccc2c(=O)[nH]1
COCCCOc1cccc(CN2CCO[C@H]3CCCC[C@@H]32)c1 COCC[*:1] c1cc(cc(c1)OC[*:1])CN1CCO[C@H]2CCCC[C@@H]21
COCCCOc1cccc(CN2CCO[C@H]3CCCC[C@@H]32)c1 COC[*:1] c1cc(cc(c1)OCC[*:1])CN1CCO[C@H]2CCCC[C@@H]21
COCCCOc1cccc(CN2CCO[C@H]3CCCC[C@@H]32)c1 COCCCO[*:1] c1cc(cc(c1)[*:1])CN1CCO[C@H]2CCCC[C@@H]21
COCCCOc1cccc(CN2CCO[C@H]3CCCC[C@@H]32)c1 COCCC[*:1] c1cc(cc(c1)O[*:1])CN1CCO[C@H]2CCCC[C@@H]21
C[C@H]([NH2+]C(C)(C)C)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@H]([NH2+]C(C)(C)C)c1nc2ccccc2n1[*:1]
C[C@H]([NH2+]C(C)(C)C)c1nc2ccccc2n1C(F)F CC(C)(C)[*:1] C[C@H]([NH2+][*:1])c1nc2ccccc2n1C(F)F
Cc1ccc(C)c(OCC(=O)NNC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 Cc1ccc(C)c(c1)O[*:1] O=C(C[*:1])NNC(=O)c1[nH]nc(-c2ccccc2)c1Br
Cc1ccc(C)c(OCC(=O)NNC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 Cc1ccc(C)c(c1)[*:1] O=C(CO[*:1])NNC(=O)c1[nH]nc(-c2ccccc2)c1Br
Cc1ccc(C)c(OCC(=O)NNC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)OCC(=O)NNC(=O)c1[nH]nc(c1Br)[*:1]
COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[*:1]
CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)s1 CC(=O)N[*:1] CC1CCN(CC1)C(=O)[C@@H](C)OC(=O)c1ccc(s1)[*:1]
O=C1N[C@H](C2CC2)C(=O)N([C@@H]2CCOC2)c2ccccc21 C1CC1[*:1] O=C1N[C@H](C(=O)N(c2ccccc21)[C@@H]1CCOC1)[*:1]
O=C1N[C@H](C2CC2)C(=O)N([C@@H]2CCOC2)c2ccccc21 C1C[C@H](CO1)[*:1] O=C1N[C@@H](C(=O)N(c2ccccc21)[*:1])C1CC1
Cc1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)[nH]2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)CSc1nnc([nH]1)[*:1])c1ccccc1
Cc1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)[nH]2)c1 C[C@H](c1ccccc1)[*:1] Cc1cccc(c1)-c1nnc([nH]1)SCC(=O)N[*:1]
Cc1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)[nH]2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1nnc([nH]1)SCC(=O)N[C@H](C)[*:1]
COCCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1 COCC[*:1] Fc1ccc(cc1Cl)NCc1ccc(cc1)O[*:1]
COCCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1 COC[*:1] Fc1ccc(cc1Cl)NCc1ccc(cc1)OC[*:1]
COCCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1 COCCO[*:1] Fc1ccc(cc1Cl)NCc1ccc(cc1)[*:1]
CNc1ncnc(NCCc2ccccc2)c1N c1ccc(cc1)[*:1] CNc1ncnc(NCC[*:1])c1N
C[C@H]1C[C@@H]1NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H]1C[C@@H]1NC(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 CC(C)[*:1] CCN(CC(=O)N[*:1])C(=O)c1ccc(=O)n(Cc2ccccc2)n1
CCN(CC(=O)NC(C)C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CCN(CC(=O)NC(C)C)C(=O)c1ccc(=O)n(n1)[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 CC(C)NC(=O)[*:1] CCN(C[*:1])C(=O)c1ccc(=O)n(Cc2ccccc2)n1
CCN(CC(=O)NC(C)C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 CC(C)NC(=O)C[*:1] CCN(C(=O)c1ccc(=O)n(Cc2ccccc2)n1)[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CCN(CC(=O)NC(C)C)C(=O)c1ccc(=O)n(C[*:1])n1
CCCc1cc(N(C)Cc2cnn(CC)c2)n2nccc2n1 CCn1cc(cn1)[*:1] CCCc1cc(N(C)C[*:1])n2nccc2n1
CCCc1cc(N(C)Cc2cnn(CC)c2)n2nccc2n1 CCC[*:1] CCn1cc(cn1)CN(C)c1cc(nc2ccnn12)[*:1]
O=C(COC(=O)c1ccc(Br)o1)Nc1ncc(C(F)(F)F)cc1Cl Brc1ccc(o1)[*:1] O=C(COC(=O)[*:1])Nc1ncc(cc1Cl)C(F)(F)F
O=C(COC(=O)c1ccc(Br)o1)Nc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] O=C(COC(=O)c1ccc(Br)o1)Nc1ncc(cc1Cl)[*:1]
CN(C)[C@H](C(=O)NCc1ccc(O)cc1)c1ccccc1F Oc1ccc(cc1)[*:1] CN(C)[C@H](C(=O)NC[*:1])c1ccccc1F
CN(C)[C@H](C(=O)NCc1ccc(O)cc1)c1ccccc1F Fc1ccccc1[*:1] CN(C)[C@H](C(=O)NCc1ccc(O)cc1)[*:1]
CN(C)[C@H](C(=O)NCc1ccc(O)cc1)c1ccccc1F CN(C)[*:1] O=C(NCc1ccc(O)cc1)[C@H](c1ccccc1F)[*:1]
CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 CC(C)(C)[*:1] CCN(CC)C(=O)c1ccc(cc1)C(=O)N[C@@H](C#N)[*:1]
CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 CCN(CC)C(=O)[*:1] CC(C)(C)[C@H](C#N)NC(=O)c1ccc(cc1)[*:1]
Cc1nc2nc(SCC(=O)Nc3ccccc3F)[n-]c2cc1Br Fc1ccccc1[*:1] Cc1nc2nc([n-]c2cc1Br)SCC(=O)N[*:1]
CCOC(=O)[C@H](N)CSC[C@H]1Cc2ccccc2S1 CCOC(=O)[*:1] N[C@H](CSC[C@H]1Cc2ccccc2S1)[*:1]
CCc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1 FC(F)(F)[*:1] CCc1ccc(cc1)NC(=O)c1cnn2c(cc(nc12)-c1ccco1)[*:1]
CCc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)NC(=O)c1cnn2c(cc(nc12)[*:1])C(F)(F)F
CCc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1 CCc1ccc(cc1)[*:1] O=C(N[*:1])c1cnn2c(cc(nc12)-c1ccco1)C(F)(F)F
Cc1ccc(C)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4cccnc4)nn32)c1 c1cncc(c1)[*:1] Cc1ccc(C)c(c1)[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2nc(nn21)[*:1]
Cc1ccc(C)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4cccnc4)nn32)c1 Cc1ccc(C)c(c1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc(nn1[C@@H]2[*:1])-c1cccnc1
CCCc1nc(N2CC[NH+](C)CC2)c2sc(=S)n(-c3ccccc3)c2n1 CCC[*:1] C[NH+]1CCN(CC1)c1nc(nc2c1sc(=S)n2-c1ccccc1)[*:1]
CCCc1nc(N2CC[NH+](C)CC2)c2sc(=S)n(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] CCCc1nc(c2sc(=S)n(c2n1)[*:1])N1CC[NH+](C)CC1
Cc1c(C(=O)NCc2ccc3c(c2)cc(C)n3C)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NCc1ccc2c(c1)cc(C)n2C
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-n2nccc2C)cc1 C=CC[*:1] Cc1ccnn1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-n2nccc2C)cc1 Cc1ccnn1[*:1] C=CCNC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-n2nccc2C)cc1 C=CCNC(=O)[*:1] Cc1ccnn1-c1ccc(cc1)C(=O)Nc1ccccc1[*:1]
CC[C@H](NC(=O)COCC1CC1)C(=O)N1CCOCC1 C1CC1C[*:1] CC[C@H](NC(=O)CO[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)COCC1CC1)C(=O)N1CCOCC1 C1CC1COC[*:1] CC[C@H](NC(=O)[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)COCC1CC1)C(=O)N1CCOCC1 C1CC1CO[*:1] CC[C@H](NC(=O)C[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)COCC1CC1)C(=O)N1CCOCC1 C1CC1[*:1] CC[C@H](NC(=O)COC[*:1])C(=O)N1CCOCC1
COc1ccc([C@H]2C[C@H](C(=O)NC3CC3)CN(C(C)=O)C2)cc1OC O=C(NC1CC1)[*:1] COc1ccc(cc1OC)[C@H]1C[C@H](CN(C1)C(C)=O)[*:1]
COc1ccc([C@H]2C[C@H](C(=O)NC3CC3)CN(C(C)=O)C2)cc1OC C1CC1[*:1] COc1ccc(cc1OC)[C@H]1C[C@@H](CN(C1)C(C)=O)C(=O)N[*:1]
Cc1cc(NCC(=O)NC[C@H]2CCCO2)n2nc(-c3cccnc3)nc2n1 O=C(NC[C@H]1CCCO1)[*:1] Cc1cc(NC[*:1])n2nc(nc2n1)-c1cccnc1
Cc1cc(NCC(=O)NC[C@H]2CCCO2)n2nc(-c3cccnc3)nc2n1 C1CO[C@H](C1)C[*:1] Cc1cc(NCC(=O)N[*:1])n2nc(nc2n1)-c1cccnc1
Cc1cc(NCC(=O)NC[C@H]2CCCO2)n2nc(-c3cccnc3)nc2n1 c1cncc(c1)[*:1] Cc1cc(NCC(=O)NC[C@H]2CCCO2)n2nc(nc2n1)[*:1]
Cc1cc(NCC(=O)NC[C@H]2CCCO2)n2nc(-c3cccnc3)nc2n1 C1CO[C@H](C1)[*:1] Cc1cc(NCC(=O)NC[*:1])n2nc(nc2n1)-c1cccnc1
Cc1ccc(C[NH+](C)CC(=O)N2CCC(C(N)=O)CC2)o1 Cc1ccc(C[*:1])o1 C[NH+](CC(=O)N1CCC(CC1)C(N)=O)[*:1]
Cc1ccc(C[NH+](C)CC(=O)N2CCC(C(N)=O)CC2)o1 NC(=O)[*:1] Cc1ccc(C[NH+](C)CC(=O)N2CCC(CC2)[*:1])o1
Cc1ccc(C[NH+](C)CC(=O)N2CCC(C(N)=O)CC2)o1 Cc1ccc(o1)[*:1] C[NH+](CC(=O)N1CCC(CC1)C(N)=O)C[*:1]
C[C@H](C#N)NC(=O)c1ccnc(OC2CCC2)c1 C[C@H](C#N)[*:1] O=C(N[*:1])c1ccnc(c1)OC1CCC1
C[C@H](C#N)NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] C[C@H](C#N)NC(=O)c1ccnc(c1)O[*:1]
C[C@H](C#N)NC(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] C[C@H](C#N)NC(=O)c1ccnc(c1)[*:1]
O=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2cccc3ccccc23)CC1 c1ccc2c(cccc2c1)[*:1] O=C(c1ccc(cc1)-n1cccn1)N1CCN(CC1)C[*:1]
O=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2cccc3ccccc23)CC1 c1cnn(c1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)Cc1cccc2ccccc12
CC[C@@H](NC(=O)[C@@H](C)NC(=O)CC1CCCCC1)c1c(C)nn(C)c1C C1CCC(CC1)[*:1] CC[C@@H](NC(=O)[C@@H](C)NC(=O)C[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)[C@@H](C)NC(=O)CC1CCCCC1)c1c(C)nn(C)c1C C1CCC(CC1)C[*:1] CC[C@@H](NC(=O)[C@@H](C)NC(=O)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)[C@@H](C)NC(=O)CC1CCCCC1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)[C@@H](C)NC(=O)CC1CCCCC1)[*:1]
CC(C)(COc1ccc(Cl)cc1)C(=O)NN NNC(=O)[*:1] CC(C)(COc1ccc(Cl)cc1)[*:1]
CC(=O)N(C)c1cccc(Nc2cc(-c3ccccc3)nc3ncnn23)c1 c1ccc(cc1)[*:1] CC(=O)N(C)c1cccc(c1)Nc1cc(nc2ncnn12)[*:1]
CC(=O)N(C)c1cccc(Nc2cc(-c3ccccc3)nc3ncnn23)c1 CC(=O)N(C)[*:1] c1ccc(cc1)-c1cc(Nc2cccc(c2)[*:1])n2ncnc2n1
CNC(=O)COc1ccc(NC(=O)/C=C/C(C)(C)C)cc1 CNC(=O)C[*:1] CC(C)(C)/C=C/C(=O)Nc1ccc(cc1)O[*:1]
CNC(=O)COc1ccc(NC(=O)/C=C/C(C)(C)C)cc1 CC(C)(C)C=C[*:1] CNC(=O)COc1ccc(cc1)NC(=O)[*:1]
CNC(=O)COc1ccc(NC(=O)/C=C/C(C)(C)C)cc1 CC(C)(C)[*:1] CNC(=O)COc1ccc(cc1)NC(=O)C=C[*:1]
CNC(=O)COc1ccc(NC(=O)/C=C/C(C)(C)C)cc1 CNC(=O)[*:1] CC(C)(C)/C=C/C(=O)Nc1ccc(cc1)OC[*:1]
CNC(=O)COc1ccc(NC(=O)/C=C/C(C)(C)C)cc1 CNC(=O)CO[*:1] CC(C)(C)/C=C/C(=O)Nc1ccc(cc1)[*:1]
Cc1c(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)N[C@@H](C)C[NH+]1CCCCC1
C=CCN(Cc1cccs1)C(=O)NCc1nnc2ccccn12 c1csc(c1)C[*:1] C=CCN(C(=O)NCc1nnc2ccccn12)[*:1]
C=CCN(Cc1cccs1)C(=O)NCc1nnc2ccccn12 C=CC[*:1] O=C(NCc1nnc2ccccn12)N(Cc1cccs1)[*:1]
C=CCN(Cc1cccs1)C(=O)NCc1nnc2ccccn12 c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)NCc1nnc2ccccn12
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccnc(c1)O[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccnc(c1)[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccnc(OC(C)(C)C)c1 Fc1ccc(F)c(c1)[*:1] C[C@@H](N(C)C(=O)NCc1ccnc(c1)OC(C)(C)C)[*:1]
Cn1c(-c2ccccc2)cnc1S(=O)(=O)CC(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cn1c(cnc1S(=O)(=O)CC(=O)Nc1ccc(Cl)cc1)[*:1]
Cn1c(-c2ccccc2)cnc1S(=O)(=O)CC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1c(cnc1S(=O)(=O)CC(=O)N[*:1])-c1ccccc1
O=C(NCCn1cccc1)N1CC[C@](O)(C(F)(F)F)C1 c1ccn(c1)C[*:1] O=C(NC[*:1])N1CC[C@@](O)(C1)C(F)(F)F
O=C(NCCn1cccc1)N1CC[C@](O)(C(F)(F)F)C1 c1ccn(c1)[*:1] O=C(NCC[*:1])N1CC[C@@](O)(C1)C(F)(F)F
O=C(NCCn1cccc1)N1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCCn1cccc1)N1CC[C@](O)(C1)[*:1]
O=C(Oc1ccc2c(c1)OCO2)C1CCCC1 C1CCC(C1)[*:1] O=C(Oc1ccc2OCOc2c1)[*:1]
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC[C@]1(CCO)CCOC1 OCC[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)NC[C@@]1(CCOC1)[*:1]
N#CCc1ccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 N#CC[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1C[C@H]2CCCC[C@@H]2C1
O=C([C@@H](O)c1ccc(C(F)(F)F)cc1)N1CC(c2ccccn2)C1 FC(F)(F)[*:1] O=C([C@@H](O)c1ccc(cc1)[*:1])N1CC(C1)c1ccccn1
O=C([C@@H](O)c1ccc(C(F)(F)F)cc1)N1CC(c2ccccn2)C1 c1ccc(nc1)[*:1] O=C([C@@H](O)c1ccc(cc1)C(F)(F)F)N1CC(C1)[*:1]
CC1(C)CN(C(=O)c2cccnc2SC(F)F)C1(C)C FC(F)[*:1] CC1(C)CN(C(=O)c2cccnc2S[*:1])C1(C)C
CC1(C)CN(C(=O)c2cccnc2SC(F)F)C1(C)C FC(F)S[*:1] CC1(C)CN(C(=O)c2cccnc2[*:1])C1(C)C
C[C@@H]1CCc2c(sc3c2[C@@H](c2ccc(O)cc2)CC(=O)N3)C1 Oc1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc1NC(=O)C[C@H](c12)[*:1]
Cc1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)c2cccs2)[NH+](C)C)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)[C@@H](C)NC(=O)[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)c2cccs2)[NH+](C)C)cc1 O=C(N[*:1])c1cccs1 Cc1ccc(cc1)[C@H](CNC(=O)[C@@H](C)[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)[C@@H](C)NC(=O)c2cccs2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H]([NH+](C)C)[*:1]
CC[C@@H](NC(=O)N[C@@H]1CCC[C@H]1C(N)=O)c1ccc(C)c(F)c1 NC(=O)[*:1] CC[C@@H](NC(=O)N[C@@H]1CCC[C@@H]1[*:1])c1ccc(C)c(F)c1
C[C@]1(C(=O)N[C@H]2CCCCC[C@@H]2CO)CC1(Cl)Cl C[C@@]1(CC1(Cl)Cl)[*:1] O=C(N[C@H]1CCCCC[C@@H]1CO)[*:1]
CCN(CC)C(=O)[C@H](c1ccccc1)S(=O)(=O)[C@@H](C)c1ccccc1F c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@H](S(=O)(=O)[C@@H](C)c1ccccc1F)[*:1]
CCN(CC)C(=O)[C@H](c1ccccc1)S(=O)(=O)[C@@H](C)c1ccccc1F CCN(CC)C(=O)[*:1] C[C@@H](c1ccccc1F)S(=O)(=O)[C@@H](c1ccccc1)[*:1]
CCN(CC)C(=O)[C@H](c1ccccc1)S(=O)(=O)[C@@H](C)c1ccccc1F Fc1ccccc1[*:1] CCN(CC)C(=O)[C@H](c1ccccc1)S(=O)(=O)[C@@H](C)[*:1]
CC(C)Cc1noc(CNc2ccc(C(F)(F)F)cc2Cl)n1 CC(C)[*:1] FC(F)(F)c1ccc(NCc2nc(C[*:1])no2)c(Cl)c1
CC(C)Cc1noc(CNc2ccc(C(F)(F)F)cc2Cl)n1 FC(F)(F)[*:1] CC(C)Cc1noc(CNc2ccc(cc2Cl)[*:1])n1
CC(C)Cc1noc(CNc2ccc(C(F)(F)F)cc2Cl)n1 CC(C)C[*:1] FC(F)(F)c1ccc(NCc2nc(no2)[*:1])c(Cl)c1
C[C@@H](CNC(=O)c1cnc2ccccn2c1=O)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)c1cnc2ccccn2c1=O)[*:1]
C[C@@H](CNC(=O)c1cnc2ccccn2c1=O)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1cnc2ccccn2c1=O)O[*:1]
O=S(=O)(NCc1ccccc1Cl)c1cccc2cccnc12 Clc1ccccc1[*:1] O=S(=O)(NC[*:1])c1cccc2cccnc12
O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1CCc2c(Br)cccc21 c1ccc(cc1)C[*:1] O=C(N[C@H](CO)[*:1])N[C@@H]1CCc2c(Br)cccc21
O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1CCc2c(Br)cccc21 c1ccc(cc1)[*:1] O=C(N[C@H](CO)C[*:1])N[C@@H]1CCc2c(Br)cccc21
CCCN(C(=O)CN1C(=O)N[C@@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O)C1=CCCC1 CCC[*:1] Cc1ccc(cc1C)[C@@]1(NC(=O)N(CC(=O)N(C2=CCCC2)[*:1])C1=O)c1ccccc1
CCCN(C(=O)CN1C(=O)N[C@@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O)C1=CCCC1 Cc1ccc(cc1C)[*:1] CCCN(C(=O)CN1C(=O)N[C@](C1=O)(c1ccccc1)[*:1])C1=CCCC1
CCCN(C(=O)CN1C(=O)N[C@@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O)C1=CCCC1 c1ccc(cc1)[*:1] CCCN(C(=O)CN1C(=O)N[C@](C1=O)(c1ccc(C)c(C)c1)[*:1])C1=CCCC1
Cc1cccc(OCC(=O)Nc2ccc3c4c(c(=O)[nH]c3c2)CCCC4)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])Nc1ccc2c3CCCCc3c(=O)[nH]c2c1
Cc1cccc(OCC(=O)Nc2ccc3c4c(c(=O)[nH]c3c2)CCCC4)c1 Cc1cccc(c1)OC[*:1] O=C(Nc1ccc2c3CCCCc3c(=O)[nH]c2c1)[*:1]
Cc1cccc(OCC(=O)Nc2ccc3c4c(c(=O)[nH]c3c2)CCCC4)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])Nc1ccc2c3CCCCc3c(=O)[nH]c2c1
COc1cc(C(=O)Nc2cc(C)ccn2)cc(Cl)c1OCC(C)C CC(C)C[*:1] COc1cc(cc(Cl)c1O[*:1])C(=O)Nc1cc(C)ccn1
COc1cc(C(=O)Nc2cc(C)ccn2)cc(Cl)c1OCC(C)C Cc1ccnc(c1)[*:1] COc1cc(cc(Cl)c1OCC(C)C)C(=O)N[*:1]
COc1cc(C(=O)Nc2cc(C)ccn2)cc(Cl)c1OCC(C)C CC(C)[*:1] COc1cc(cc(Cl)c1OC[*:1])C(=O)Nc1cc(C)ccn1
COc1cc(C(=O)Nc2cc(C)ccn2)cc(Cl)c1OCC(C)C CC(C)CO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)Nc1cc(C)ccn1
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C COC(=O)[*:1] C[C@H](CC[*:1])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C COC(=O)CC[*:1] C[C@@H]([C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C)[*:1]
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C COC(=O)CC[C@@H](C)[*:1] C[C@]12CC[C@@H](O)C[C@H]1CC(=O)[C@@H]1[C@@H]2C[C@H](O)[C@@]2(C)[C@H]1CC[C@@H]2[*:1]
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C COC(=O)C[*:1] C[C@H](C[*:1])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C
[NH3+][C@H](CSCc1ccco1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H](CSCc1ccco1)[*:1]
CCOC(=O)C[C@H]1COCCN1Cc1c[nH]nc1-c1cc2ccccc2o1 CCOC(=O)[*:1] c1ccc2oc(cc2c1)-c1n[nH]cc1CN1CCOC[C@@H]1C[*:1]
CCOC(=O)C[C@H]1COCCN1Cc1c[nH]nc1-c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] CCOC(=O)C[C@H]1COCCN1Cc1c[nH]nc1[*:1]
CCOC(=O)C[C@H]1COCCN1Cc1c[nH]nc1-c1cc2ccccc2o1 CCOC(=O)C[*:1] c1ccc2oc(cc2c1)-c1n[nH]cc1CN1CCOC[C@@H]1[*:1]
Cc1noc(C(C)C)c1C(=O)Nc1cc(F)cc(F)c1 CC(C)[*:1] Cc1noc(c1C(=O)Nc1cc(F)cc(F)c1)[*:1]
CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CCc1cccs1 c1csc(c1)CC[*:1] CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)[*:1]
CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CCc1cccs1 c1csc(c1)[*:1] CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CC[*:1]
CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CCc1cccs1 c1csc(c1)C[*:1] CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)C[*:1]
CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CCc1cccs1 Clc1cccc(c1)[*:1] CC[C@@H]([NH3+])[C@@H](N(C)CCc1cccs1)[*:1]
CC(=O)N1CCN(C(=O)[C@H](C)SCc2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H](C)SCc1ccc(cc1)[*:1]
[NH3+][C@H](Cc1cc(F)c(F)c(F)c1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H](Cc1cc(F)c(F)c(F)c1)[*:1]
COc1cccc(C(=O)N2CCS[C@]23C(=O)N(Cc2ccccc2)c2ccc(OC)cc23)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)C(=O)N1CCS[C@]12C(=O)N(c1ccc(cc12)OC)[*:1]
COc1cccc(C(=O)N2CCS[C@]23C(=O)N(Cc2ccccc2)c2ccc(OC)cc23)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N1CCS[C@]12C(=O)N(C[*:1])c1ccc(cc12)OC
COc1cccc(C(=O)N2CCS[C@]23C(=O)N(Cc2ccccc2)c2ccc(OC)cc23)c1 COc1cccc(c1)[*:1] COc1ccc2c(c1)[C@@]1(SCCN1C(=O)[*:1])C(=O)N2Cc1ccccc1
C/[NH+]=C(\Nc1ccc(C(=O)OC)s1)c1ccccc1 COC(=O)[*:1] C/[NH+]=C(\Nc1ccc(s1)[*:1])c1ccccc1
C/[NH+]=C(\Nc1ccc(C(=O)OC)s1)c1ccccc1 c1ccc(cc1)[*:1] C/[NH+]=C(\Nc1ccc(s1)C(=O)OC)[*:1]
CC(C)COCCNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 CC(C)COC[*:1] O=C(NCc1cc(Cl)c2OCCCOc2c1)NC[*:1]
CC(C)COCCNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 CC(C)COCC[*:1] O=C(NCc1cc(Cl)c2OCCCOc2c1)N[*:1]
CC(C)COCCNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 CC(C)[*:1] O=C(NCCOC[*:1])NCc1cc(Cl)c2OCCCOc2c1
CC(C)COCCNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 CC(C)C[*:1] O=C(NCCO[*:1])NCc1cc(Cl)c2OCCCOc2c1
CC(C)COCCNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 CC(C)CO[*:1] O=C(NCC[*:1])NCc1cc(Cl)c2OCCCOc2c1
O=C(Nc1cnn(CCN2CCOCC2)c1)N[C@H]1CCc2c(O)cccc21 C1CN(CCO1)[*:1] O=C(Nc1cnn(c1)CC[*:1])N[C@H]1CCc2c(O)cccc21
O=C(Nc1cnn(CCN2CCOCC2)c1)N[C@H]1CCc2c(O)cccc21 C1CN(CCO1)CC[*:1] O=C(Nc1cnn(c1)[*:1])N[C@H]1CCc2c(O)cccc21
O=C(Nc1cnn(CCN2CCOCC2)c1)N[C@H]1CCc2c(O)cccc21 C1CN(CCO1)C[*:1] O=C(Nc1cnn(c1)C[*:1])N[C@H]1CCc2c(O)cccc21
Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(Cc1ccncc1)C1CC1 c1cc(ccn1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C[*:1])C1CC1)N1CCCC1=O
Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(Cc1ccncc1)C1CC1 C1CC1[*:1] Cc1ccc(cc1S(=O)(=O)N(Cc1ccncc1)[*:1])N1CCCC1=O
Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(Cc1ccncc1)C1CC1 O=C1CCCN1[*:1] Cc1ccc(cc1S(=O)(=O)N(Cc1ccncc1)C1CC1)[*:1]
Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(Cc1ccncc1)C1CC1 c1cc(ccn1)C[*:1] Cc1ccc(cc1S(=O)(=O)N(C1CC1)[*:1])N1CCCC1=O
CCCc1nc(COc2ccc(C[C@@H](C)[NH3+])nc2)cs1 CCC[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)OCc1csc(n1)[*:1]
CC(C)Oc1cccc([C@H]2CC[C@H](Br)C2)c1 CC(C)O[*:1] Br[C@H]1CC[C@@H](C1)c1cccc(c1)[*:1]
CC(C)Oc1cccc([C@H]2CC[C@H](Br)C2)c1 CC(C)[*:1] Br[C@H]1CC[C@@H](C1)c1cccc(c1)O[*:1]
Cc1ccc(/C=C/CC(=O)Nc2nnc([N-]S(C)(=O)=O)s2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)[N-]c1nnc(NC(=O)CC=C[*:1])s1
Cn1c(-c2cccs2)nn(CCNC(=O)Nc2ccc3c(c2)OCO3)c1=O c1csc(c1)[*:1] Cn1c(nn(CCNC(=O)Nc2ccc3OCOc3c2)c1=O)[*:1]
Cn1c(-c2cccs2)nn(CCNC(=O)Nc2ccc3c(c2)OCO3)c1=O c1cc2OCOc2cc1[*:1] Cn1c(nn(CCNC(=O)N[*:1])c1=O)-c1cccs1
COC(=O)Nc1cc(NC(=O)N(CC2CC2)[C@@H](C)c2ccccc2)ccc1F C1CC1C[*:1] COC(=O)Nc1cc(ccc1F)NC(=O)N([C@@H](C)c1ccccc1)[*:1]
COC(=O)Nc1cc(NC(=O)N(CC2CC2)[C@@H](C)c2ccccc2)ccc1F C1CC1[*:1] COC(=O)Nc1cc(ccc1F)NC(=O)N(C[*:1])[C@@H](C)c1ccccc1
COC(=O)Nc1cc(NC(=O)N(CC2CC2)[C@@H](C)c2ccccc2)ccc1F c1ccc(cc1)[*:1] COC(=O)Nc1cc(ccc1F)NC(=O)N(CC1CC1)[C@@H](C)[*:1]
COC(=O)Nc1cc(NC(=O)N(CC2CC2)[C@@H](C)c2ccccc2)ccc1F COC(=O)N[*:1] C[C@@H](c1ccccc1)N(CC1CC1)C(=O)Nc1ccc(F)c(c1)[*:1]
COC(=O)Nc1cc(NC(=O)N(CC2CC2)[C@@H](C)c2ccccc2)ccc1F C[C@@H](c1ccccc1)[*:1] COC(=O)Nc1cc(ccc1F)NC(=O)N(CC1CC1)[*:1]
CN(CCS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])CC1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)N1CCC(CC1)C(=O)[O-]
CN(CCS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])CC1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)N1CCC(CC1)C(=O)[O-]
CN(CCS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] CN(CCS(C)(=O)=O)C(=O)N1CCC(CC1)[*:1]
CN(CCS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])CC1 CS(=O)(=O)CC[*:1] CN(C(=O)N1CCC(CC1)C(=O)[O-])[*:1]
CCN(Cc1ccccn1)C(=O)NC[C@@H]1C[C@]12CCc1ccccc12 c1ccc(C[*:1])nc1 CCN(C(=O)NC[C@@H]1C[C@]12CCc1ccccc12)[*:1]
CCN(Cc1ccccn1)C(=O)NC[C@@H]1C[C@]12CCc1ccccc12 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)NC[C@@H]1C[C@]12CCc1ccccc12
N#Cc1ccc(OCC(=O)NC2CCCCC2)cc1F C1CCC(CC1)[*:1] N#Cc1ccc(cc1F)OCC(=O)N[*:1]
O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 O=c1ccn(C[*:1])c(=O)[nH]1 O=C(C[*:1])N1CCCC[C@@H]1CCc1ccc(O)cc1
O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1C[*:1]
O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 O=c1ccn(c(=O)[nH]1)[*:1] O=C(CC[*:1])N1CCCC[C@@H]1CCc1ccc(O)cc1
O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 Oc1ccc(cc1)CC[*:1] O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1[*:1]
O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1CC[*:1]
Cc1cc(C(=O)NC2CC[NH+](Cc3nnsc3Cl)CC2)no1 Clc1snnc1[*:1] Cc1cc(no1)C(=O)NC1CC[NH+](CC1)C[*:1]
Cc1cc(C(=O)NC2CC[NH+](Cc3nnsc3Cl)CC2)no1 Cc1cc(no1)[*:1] O=C(NC1CC[NH+](CC1)Cc1nnsc1Cl)[*:1]
Cc1cc(C(=O)NC2CC[NH+](Cc3nnsc3Cl)CC2)no1 Clc1snnc1C[*:1] Cc1cc(no1)C(=O)NC1CC[NH+](CC1)[*:1]
CC[NH2+][C@H]1CC(C)(C)Cc2nc(-c3ccc(Cl)cn3)sc21 Clc1ccc(nc1)[*:1] CC[NH2+][C@H]1CC(C)(C)Cc2nc(sc21)[*:1]
O=C(NNC(=S)NC(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NC(=S)NNC(=O)[*:1])c1ccc(Cl)c(Cl)c1
O=C(CCc1cccc(Cl)c1Cl)Nc1cc(N2CCCS2(=O)=O)ccc1Cl Clc1cccc(c1Cl)[*:1] O=C(CC[*:1])Nc1cc(ccc1Cl)N1CCCS1(=O)=O
O=C(CCc1cccc(Cl)c1Cl)Nc1cc(N2CCCS2(=O)=O)ccc1Cl Clc1cccc(C[*:1])c1Cl O=C(C[*:1])Nc1cc(ccc1Cl)N1CCCS1(=O)=O
O=C(CCc1cccc(Cl)c1Cl)Nc1cc(N2CCCS2(=O)=O)ccc1Cl O=S1(=O)CCCN1[*:1] O=C(CCc1cccc(Cl)c1Cl)Nc1cc(ccc1Cl)[*:1]
Nc1c(NNC(=O)c2ccncc2)ncnc1N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Nc1c(ncnc1N1CC[NH+](CC1)[*:1])NNC(=O)c1ccncc1
Nc1c(NNC(=O)c2ccncc2)ncnc1N1CC[NH+](Cc2ccccc2)CC1 c1cc(ccn1)[*:1] Nc1c(ncnc1N1CC[NH+](CC1)Cc1ccccc1)NNC(=O)[*:1]
Nc1c(NNC(=O)c2ccncc2)ncnc1N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Nc1c(ncnc1N1CC[NH+](CC1)C[*:1])NNC(=O)c1ccncc1
Nc1c(NNC(=O)c2ccncc2)ncnc1N1CC[NH+](Cc2ccccc2)CC1 O=C(NN[*:1])c1ccncc1 Nc1c(ncnc1[*:1])N1CC[NH+](CC1)Cc1ccccc1
CC(C)C(=O)NCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 CC(C)[*:1] CN(C(=O)c1cccc(c1)NC(=O)NCCNC(=O)[*:1])c1ccccc1
CC(C)C(=O)NCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 CC(C)C(=O)NC[*:1] CN(C(=O)c1cccc(c1)NC(=O)NC[*:1])c1ccccc1
CC(C)C(=O)NCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 CC(C)C(=O)N[*:1] CN(C(=O)c1cccc(c1)NC(=O)NCC[*:1])c1ccccc1
CC(C)C(=O)NCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)C(=O)NCCNC(=O)Nc1cccc(c1)C(=O)N(C)[*:1]
CC(C)C(=O)NCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 CC(C)C(=O)NCC[*:1] CN(C(=O)c1cccc(c1)NC(=O)N[*:1])c1ccccc1
Cc1ccc(SCCC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1 Cc1ccc(cc1)S[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)CC[*:1])c1=O
Cc1ccc(SCCC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1 Cc1ccc(cc1)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)CCS[*:1])c1=O
Cc1ccc(SCCC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1 Cn1cnn(c1=O)[*:1] Cc1ccc(cc1)SCCC(=O)Nc1ccc(cc1)[*:1]
C[NH+](C)Cc1ccccc1CNC(=O)CN1CCCOC1=O O=C1OCCCN1[*:1] C[NH+](C)Cc1ccccc1CNC(=O)C[*:1]
CCCc1cc(NC(=O)C(=O)N2CCC(C)CC2)n(C)n1 CCC[*:1] CC1CCN(CC1)C(=O)C(=O)Nc1cc(nn1C)[*:1]
CC(C)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 CC(C)[*:1] O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(cc1)[*:1]
COCCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)cc2)S/C1=N\c1ccccc1 COC(=O)CO[*:1] COCCN1C(=O)/C(=C/c2ccc(cc2)[*:1])S/C1=N\c1ccccc1
COCCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)cc2)S/C1=N\c1ccccc1 c1ccc(cc1)[*:1] COCCN1C(=O)/C(=C/c2ccc(cc2)OCC(=O)OC)SC1=N[*:1]
COCCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)cc2)S/C1=N\c1ccccc1 COC[*:1] COC(=O)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C[*:1])C2=O)cc1
COCCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)cc2)S/C1=N\c1ccccc1 COC(=O)C[*:1] COCCN1C(=O)/C(=C/c2ccc(cc2)O[*:1])S/C1=N\c1ccccc1
COCCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)cc2)S/C1=N\c1ccccc1 COCC[*:1] COC(=O)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C2=O)[*:1])cc1
COCCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)cc2)S/C1=N\c1ccccc1 COC(=O)[*:1] COCCN1C(=O)/C(=C/c2ccc(cc2)OC[*:1])S/C1=N\c1ccccc1
N#Cc1ccc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c(F)c1 N#Cc1ccc(c(F)c1)[*:1] O=C(c1ccc2OCCOc2c1)C1CCN(CC1)C[*:1]
Cc1c(CCNC(=O)Nc2ccc(COc3ccccc3)cc2)cnn1C c1ccc(cc1)O[*:1] Cc1c(cnn1C)CCNC(=O)Nc1ccc(cc1)C[*:1]
Cc1c(CCNC(=O)Nc2ccc(COc3ccccc3)cc2)cnn1C c1ccc(cc1)OC[*:1] Cc1c(cnn1C)CCNC(=O)Nc1ccc(cc1)[*:1]
Cc1c(CCNC(=O)Nc2ccc(COc3ccccc3)cc2)cnn1C Cc1c(cnn1C)[*:1] O=C(NCC[*:1])Nc1ccc(cc1)COc1ccccc1
Cc1c(CCNC(=O)Nc2ccc(COc3ccccc3)cc2)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)CCNC(=O)Nc1ccc(cc1)CO[*:1]
Cc1c(CCNC(=O)Nc2ccc(COc3ccccc3)cc2)cnn1C Cc1c(cnn1C)C[*:1] O=C(NC[*:1])Nc1ccc(cc1)COc1ccccc1
Cc1c(CCNC(=O)Nc2ccc(COc3ccccc3)cc2)cnn1C Cc1c(cnn1C)CC[*:1] O=C(Nc1ccc(cc1)COc1ccccc1)N[*:1]
Cc1ncsc1CN1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ncsc1CN1CC[C@@H](C1)N[*:1]
Cc1ncsc1CN1CC[C@H](Nc2ccccc2)C1 Cc1ncsc1[*:1] c1ccc(cc1)N[C@H]1CCN(C1)C[*:1]
CC(C)OC[C@@]1(O)CCC[C@H](C)[C@H]1C CC(C)O[*:1] C[C@H]1CCC[C@](O)(C[*:1])[C@@H]1C
CC(C)OC[C@@]1(O)CCC[C@H](C)[C@H]1C CC(C)[*:1] C[C@H]1CCC[C@](O)(CO[*:1])[C@@H]1C
C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)OCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)O[*:1]
C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)OCc1ccccc1 NC(=O)[*:1] C[C@@H](C(=O)Nc1sccc1[*:1])N(C)OCc1ccccc1
C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)OCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)OC[*:1]
N#Cc1ccc(OCCOC(=O)c2ccsc2)cc1 c1cc(cs1)[*:1] N#Cc1ccc(cc1)OCCOC(=O)[*:1]
Cc1oc(C(=O)Nc2ccc3c(C)n[nH]c3c2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)Nc1ccc2c(C)n[nH]c2c1
CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1[NH3+] CC(C)(C)[*:1] [NH3+][C@H]1CCOC[C@@H]1NC(=O)O[*:1]
Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccccc2)n1 Cc1cc(C)n(n1)[*:1] O=C(C[*:1])NNS(=O)(=O)c1ccccc1
Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)NNS(=O)(=O)[*:1])n1
O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CCc2ccccc21 c1csc(c1)[*:1] O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)[*:1])N1CCc2ccccc21
COc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2F)C[S@@](=O)C3)cc1 COc1ccc(cc1)[*:1] O=C(Nc1c2C[S@@](=O)Cc2nn1[*:1])c1c(F)cccc1F
COc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2F)C[S@@](=O)C3)cc1 Fc1cccc(F)c1[*:1] COc1ccc(cc1)-n1nc2C[S@](=O)Cc2c1NC(=O)[*:1]
O=C(NN[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NN[C@@H]1CCS(=O)(=O)C1)c1ccccc1[*:1]
C[C@@H]1CC(C(=O)N2CCC(OC3CCCCC3)CC2)C[C@@H](C)O1 C1CCC(CC1)O[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCC(CC1)[*:1]
C[C@@H]1CC(C(=O)N2CCC(OC3CCCCC3)CC2)C[C@@H](C)O1 C1CCC(CC1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCC(CC1)O[*:1]
COCc1nc2cc(NCc3cc(F)ccc3F)ccc2o1 COC[*:1] Fc1ccc(F)c(c1)CNc1ccc2oc(nc2c1)[*:1]
COc1cc(Nc2cc(C#N)cc([N+](=O)[O-])c2C)ccc1NC(C)=O O=[N+]([O-])[*:1] COc1cc(ccc1NC(C)=O)Nc1cc(C#N)cc(c1C)[*:1]
COc1cc(Nc2cc(C#N)cc([N+](=O)[O-])c2C)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])Nc1cc(C#N)cc(c1C)[N+](=O)[O-]
CC[C@H](C)CN(CC)C(=O)C[C@H]1CCCC[NH2+]1 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)C[C@H]1CCCC[NH2+]1
CC[C@H](C)CN(CC)C(=O)C[C@H]1CCCC[NH2+]1 CC[C@H](C)C[*:1] CCN(C(=O)C[C@H]1CCCC[NH2+]1)[*:1]
Cc1cc(C)cc(NC(=O)/C=C/c2ccc(C(N)=O)cc2)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)NC(=O)/C=C/c1ccc(cc1)[*:1]
CC(C)[C@@H]1C(=O)NC(=O)C[C@@H]1c1cccc(F)c1F CC(C)[*:1] O=C1C[C@H](c2cccc(F)c2F)[C@@H](C(=O)N1)[*:1]
Cn1c(-c2nc(C(=O)Nc3ccccn3)cs2)cc2ccccc21 c1ccc(nc1)[*:1] Cn1c(cc2ccccc21)-c1nc(cs1)C(=O)N[*:1]
C#CCN(CC#C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 C#CC[*:1] C#CCN(C(=O)CCc1ncc(o1)-c1ccccc1Cl)[*:1]
C#CCN(CC#C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 Clc1ccccc1[*:1] C#CCN(CC#C)C(=O)CCc1ncc(o1)[*:1]
Cc1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccncc1N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 C1CC1[*:1] Cc1ccc(cc1)C(=O)Nc1cccc(c1)NC(=O)[*:1]
Cc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 O=C(N[*:1])C1CC1 Cc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])C1CC1
CS(=O)(=O)c1ccc(F)c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 CS(=O)(=O)[*:1] O=C(Nc1cc(ccc1F)[*:1])[C@@H]1C[C@@H]2C=C[C@H]1C2
CNC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2C)c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] CNC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2C)c(=O)n1[*:1]
CNC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2C)c(=O)n1Cc1ccccc1 Cc1ccccc1[*:1] CNC(=O)/C(C#N)=c1\sc(=C[*:1])c(=O)n1Cc1ccccc1
CNC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2C)c(=O)n1Cc1ccccc1 CNC(=O)[*:1] Cc1ccccc1/C=c1\sc(=C(C#N)[*:1])n(Cc2ccccc2)c1=O
CNC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2C)c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] CNC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2C)c(=O)n1C[*:1]
CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 c1cnn(c1)-c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cnn2c(cc(nc12)-c1ccccc1)C(F)F
CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 FC(F)[*:1] CN(Cc1ccc(cc1)-n1cccn1)C(=O)c1cnn2c(cc(nc12)-c1ccccc1)[*:1]
CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 c1ccc(cc1)[*:1] CN(Cc1ccc(cc1)-n1cccn1)C(=O)c1cnn2c(cc(nc12)[*:1])C(F)F
CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 c1cnn(c1)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1cnn2c(cc(nc12)-c1ccccc1)C(F)F
CC(C)Cn1ccnc(NCCNC(=O)c2ccc(O)cc2)c1=O CC(C)[*:1] O=C(NCCNc1nccn(C[*:1])c1=O)c1ccc(O)cc1
CC(C)Cn1ccnc(NCCNC(=O)c2ccc(O)cc2)c1=O CC(C)C[*:1] O=C(NCCNc1nccn(c1=O)[*:1])c1ccc(O)cc1
CC(C)Cn1ccnc(NCCNC(=O)c2ccc(O)cc2)c1=O Oc1ccc(cc1)[*:1] CC(C)Cn1ccnc(NCCNC(=O)[*:1])c1=O
OCCN(Cc1cnc(-c2cccnc2)s1)[C@H]1CCc2ccccc21 c1cncc(c1)[*:1] OCCN(Cc1cnc(s1)[*:1])[C@H]1CCc2ccccc21
OCCN(Cc1cnc(-c2cccnc2)s1)[C@H]1CCc2ccccc21 OCC[*:1] c1cncc(c1)-c1ncc(CN([C@H]2CCc3ccccc32)[*:1])s1
Cc1cccc(C(=O)Nc2ccc(NCC(=O)NC[C@H]3CCCO3)cc2)c1 Cc1cccc(c1)[*:1] O=C(CNc1ccc(cc1)NC(=O)[*:1])NC[C@H]1CCCO1
CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CC23CCC3)C1 c1cc(cs1)[*:1] CC(C)NC(=O)[C@]1(CCN(C1)C(=O)[C@@H]1CC12CCC2)Cc1ccc(cc1)[*:1]
CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CC23CCC3)C1 CC(C)NC(=O)[*:1] O=C([C@@H]1CC12CCC2)N1CC[C@](Cc2ccc(cc2)-c2ccsc2)(C1)[*:1]
CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CC23CCC3)C1 CC(C)[*:1] O=C([C@@H]1CC12CCC2)N1CC[C@@](Cc2ccc(cc2)-c2ccsc2)(C1)C(=O)N[*:1]
Cc1ncc(CO)c2cc(C(N)=S)/c(=[NH+]/c3ccc(C(C)C)cc3)oc12 NC(=S)[*:1] Cc1ncc(CO)c2cc(/c(=[NH+]/c3ccc(cc3)C(C)C)oc12)[*:1]
Cc1ncc(CO)c2cc(C(N)=S)/c(=[NH+]/c3ccc(C(C)C)cc3)oc12 CC(C)[*:1] Cc1ncc(CO)c2cc(C(N)=S)/c(=[NH+]/c3ccc(cc3)[*:1])oc12
CCOc1cccc(O[C@@H]2CCC[NH2+]C2)c1 CCO[*:1] c1cc(cc(c1)[*:1])O[C@@H]1CCC[NH2+]C1
C[C@@H](CCl)CS(=O)(=O)N[C@H](C)c1ccccc1F C[C@@H](CCl)[*:1] C[C@@H](NS(=O)(=O)C[*:1])c1ccccc1F
Nc1ccc2c(c1)nc(CO)n2CCc1ccccc1 c1ccc(cc1)[*:1] Nc1ccc2c(c1)nc(CO)n2CC[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+]3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 COc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(Cl)cc2)N1CC[NH+]1CCCC1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+]3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(Cl)cc2)N1CC[NH+]1CCCC1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+]3CCCC3)[C@@H]2c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1[*:1]
C[C@@H](CCl)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](CCl)CS(=O)(=O)c1ccc(cc1[*:1])[N+](=O)[O-]
C[C@@H](CCl)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F O=[N+]([O-])[*:1] C[C@@H](CCl)CS(=O)(=O)c1ccc(cc1C(F)(F)F)[*:1]
CNC(=O)NCC(=O)N1C[C@@H](C)S[C@H](C)C1 CNC(=O)N[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)C[*:1]
CCCCN(C(=O)CN(C)c1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 Cc1ccc(c(C)c1)[*:1] CCCCN(C(=O)CN(C)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)CN(C)c1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1ccc(c(C)c1)N(C)CC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)CN(C)c1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] Cc1ccc(c(C)c1)N(C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C1NC(=O)C2(CC(C(=O)N3CCN(Cc4cccc(F)c4)CC3)C2)N1 Fc1cccc(c1)C[*:1] O=C1NC(=O)C2(CC(C2)C(=O)N2CCN(CC2)[*:1])N1
O=C1NC(=O)C2(CC(C(=O)N3CCN(Cc4cccc(F)c4)CC3)C2)N1 Fc1cccc(c1)[*:1] O=C1NC(=O)C2(CC(C2)C(=O)N2CCN(CC2)C[*:1])N1
O=[N+]([O-])c1ccc([C@H](O)Cc2ccnc3ccccc23)cc1 O=[N+]([O-])[*:1] O[C@H](Cc1ccnc2ccccc12)c1ccc(cc1)[*:1]
C[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=S)Nc1ccc(cc1)S(N)(=O)=O)[*:1]
C[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)c1ccncc1 NS(=O)(=O)[*:1] C[C@H](NC(=S)Nc1ccc(cc1)[*:1])c1ccncc1
Cc1nn(C)cc1CN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 Clc1ccc(cc1)[*:1] Cc1nn(C)cc1CN1CCC[C@@H](C1)c1nc(no1)[*:1]
Cc1nn(C)cc1CN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 Cc1nn(C)cc1C[*:1] Clc1ccc(cc1)-c1noc(n1)[C@H]1CCCN(C1)[*:1]
Cc1nn(C)cc1CN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 Cc1nn(C)cc1[*:1] Clc1ccc(cc1)-c1noc(n1)[C@H]1CCCN(C1)C[*:1]
CN(C(=O)NCc1ccc(Oc2ccccc2)cc1)C1CCS(=O)CC1 c1ccc(cc1)[*:1] CN(C(=O)NCc1ccc(cc1)O[*:1])C1CCS(=O)CC1
CN(C(=O)NCc1ccc(Oc2ccccc2)cc1)C1CCS(=O)CC1 c1ccc(cc1)O[*:1] CN(C(=O)NCc1ccc(cc1)[*:1])C1CCS(=O)CC1
COC(=O)c1ccc(C[NH+]2CCC(CS(N)(=O)=O)CC2)o1 NS(=O)(=O)C[*:1] COC(=O)c1ccc(C[NH+]2CCC(CC2)[*:1])o1
COC(=O)c1ccc(C[NH+]2CCC(CS(N)(=O)=O)CC2)o1 COC(=O)[*:1] NS(=O)(=O)CC1CC[NH+](CC1)Cc1ccc(o1)[*:1]
COC(=O)c1ccc(C[NH+]2CCC(CS(N)(=O)=O)CC2)o1 NS(=O)(=O)[*:1] COC(=O)c1ccc(C[NH+]2CCC(CC2)C[*:1])o1
O=C(NCc1csc(C2CC2)n1)N[C@H]1C[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCc1csc(n1)C1CC1)N[C@H]1C[C@@H]1[*:1]
O=C(NCc1csc(C2CC2)n1)N[C@H]1C[C@H]1c1cccc(Cl)c1 C1CC1[*:1] O=C(NCc1csc(n1)[*:1])N[C@H]1C[C@H]1c1cccc(Cl)c1
C[NH+](C)[C@@H](C[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](C[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)[*:1]
CCN(CC)C(=S)S[C@H](C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CCN(CC)C(=S)S[C@H](C)C(=O)N[*:1]
CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(Cl)cn2)cc1 Clc1ccc(nc1)[*:1] CNC(=O)c1ccc(cc1)S(=O)(=O)N(C)[*:1]
CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(Cl)cn2)cc1 CNC(=O)[*:1] CN(c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)C[C@@H]2C=CCC2)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] Cc1ccc(CNC(=O)C[C@@H]2C=CCC2)c(c1)OC[*:1]
Cc1ccc(CNC(=O)C[C@@H]2C=CCC2)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)CO[*:1] Cc1ccc(CNC(=O)C[C@@H]2C=CCC2)c(c1)[*:1]
Cc1ccc(CNC(=O)C[C@@H]2C=CCC2)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)C[*:1] Cc1ccc(CNC(=O)C[C@@H]2C=CCC2)c(c1)O[*:1]
COc1ccccc1CNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2c1=O COc1ccccc1C[*:1] Cc1cc(C)cc(c1)NS(=O)(=O)c1ccc2[nH]cc(C(=O)N[*:1])c(=O)c2c1
COc1ccccc1CNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2c1=O COc1ccccc1[*:1] Cc1cc(C)cc(c1)NS(=O)(=O)c1ccc2[nH]cc(C(=O)NC[*:1])c(=O)c2c1
COc1ccccc1CNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2c1=O Cc1cc(C)cc(c1)[*:1] COc1ccccc1CNC(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N[*:1]
COc1cc(NC(=O)c2cc(Cl)c(OC(C)C)c(OC)c2)c(OC)cc1Cl CC(C)O[*:1] COc1cc(NC(=O)c2cc(Cl)c(c(c2)OC)[*:1])c(cc1Cl)OC
COc1cc(NC(=O)c2cc(Cl)c(OC(C)C)c(OC)c2)c(OC)cc1Cl CC(C)[*:1] COc1cc(NC(=O)c2cc(Cl)c(O[*:1])c(c2)OC)c(cc1Cl)OC
CCc1n[n-]c(S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCc1n[n-]c(n1)S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)[C@](C)(N)[*:1]
C[C@H]1CN(Cc2ccccc2CNS(=O)(=O)N(C)C)C[C@@H](C)O1 CN(C)S(=O)(=O)N[*:1] C[C@H]1CN(Cc2ccccc2C[*:1])C[C@@H](C)O1
Cc1cccc(CN(C(=O)C2(c3ccccc3)CCOCC2)C2CC2)c1 Cc1cccc(c1)C[*:1] O=C(N(C1CC1)[*:1])C1(CCOCC1)c1ccccc1
Cc1cccc(CN(C(=O)C2(c3ccccc3)CCOCC2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(C(=O)C1(CCOCC1)c1ccccc1)[*:1]
Cc1cccc(CN(C(=O)C2(c3ccccc3)CCOCC2)C2CC2)c1 Cc1cccc(c1)[*:1] O=C(N(C[*:1])C1CC1)C1(CCOCC1)c1ccccc1
Cc1cccc(CN(C(=O)C2(c3ccccc3)CCOCC2)C2CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CN(C(=O)C1(CCOCC1)[*:1])C1CC1
C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)c1nc[n-]n1 C1CCC(CC1)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)c1nc[n-]n1
C[C@@H](C(=O)Nc1ccccc1C(C)(C)C)N1CC[NH+](CCO)CC1 CC(C)(C)[*:1] C[C@@H](C(=O)Nc1ccccc1[*:1])N1CC[NH+](CCO)CC1
C[C@@H]1CCC[C@H](OCC(=O)N2CCCN(C(=O)c3ccoc3)CC2)C1 c1cc(co1)[*:1] C[C@@H]1CCC[C@@H](C1)OCC(=O)N1CCCN(CC1)C(=O)[*:1]
COC(C)(C)[C@@H](O)Cc1ccc2c(c1)CCC2 COC(C)(C)[*:1] O[C@@H](Cc1ccc2CCCc2c1)[*:1]
OC[C@@H](O)[C@@H]1O[C@H](Nc2ccc(Cl)cc2)[C@@H](O)[C@@H]1O OC[C@@H](O)[*:1] O[C@@H]1[C@@H](Nc2ccc(Cl)cc2)O[C@H]([C@H]1O)[*:1]
CC(C)NC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C CC(C)NC(=O)[*:1] CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)[*:1]
CC(C)NC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C CC(C)[*:1] CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[*:1]
CC(C)NC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C CC(C)[*:1] CC(C)NC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)[*:1]
CCN(CCC#N)Cc1ccccc1C#N N#CC[*:1] CCN(Cc1ccccc1C#N)C[*:1]
CCN(CCC#N)Cc1ccccc1C#N N#CCC[*:1] CCN(Cc1ccccc1C#N)[*:1]
O=S(=O)(c1cccc(F)c1)N1CCO[C@@H](c2nc(Cc3cccs3)no2)C1 c1csc(c1)C[*:1] O=S(=O)(c1cccc(F)c1)N1CCO[C@H](C1)c1nc(no1)[*:1]
O=S(=O)(c1cccc(F)c1)N1CCO[C@@H](c2nc(Cc3cccs3)no2)C1 Fc1cccc(c1)[*:1] O=S(=O)(N1CCO[C@H](C1)c1nc(Cc2cccs2)no1)[*:1]
O=S(=O)(c1cccc(F)c1)N1CCO[C@@H](c2nc(Cc3cccs3)no2)C1 c1csc(c1)[*:1] O=S(=O)(c1cccc(F)c1)N1CCO[C@H](C1)c1nc(C[*:1])no1
Cc1cc(C(=O)NCCC[NH+](C)Cc2ccccc2)c2c(=O)[nH]n(C)c2n1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)NCCC[NH+](C)[*:1])c2c(=O)[nH]n(C)c2n1
Cc1cc(C(=O)NCCC[NH+](C)Cc2ccccc2)c2c(=O)[nH]n(C)c2n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NCCC[NH+](C)C[*:1])c2c(=O)[nH]n(C)c2n1
COCCCNC(=O)[C@@H](C)Sc1c(Cl)cccc1Cl COC[*:1] C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)NCC[*:1]
COCCCNC(=O)[C@@H](C)Sc1c(Cl)cccc1Cl COCC[*:1] C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)NC[*:1]
COCCCNC(=O)[C@@H](C)Sc1c(Cl)cccc1Cl COCCC[*:1] C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)NC[C@H]2CCCO2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 C1CO[C@H](C1)C[*:1] Cc1cc(NC(=O)C(=O)N[*:1])n(n1)-c1nc2CCCc2c(=O)[nH]1
Cc1cc(NC(=O)C(=O)NC[C@H]2CCCO2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 C1CO[C@H](C1)[*:1] Cc1cc(NC(=O)C(=O)NC[*:1])n(n1)-c1nc2CCCc2c(=O)[nH]1
CC(C)Cc1ccc2c(c1)CN[C@H](c1ccccc1)C2 c1ccc(cc1)[*:1] CC(C)Cc1ccc2C[C@@H](NCc2c1)[*:1]
CC(C)Cc1ccc2c(c1)CN[C@H](c1ccccc1)C2 CC(C)C[*:1] c1ccc(cc1)[C@@H]1Cc2ccc(cc2CN1)[*:1]
CC(C)Cc1ccc2c(c1)CN[C@H](c1ccccc1)C2 CC(C)[*:1] c1ccc(cc1)[C@@H]1Cc2ccc(cc2CN1)C[*:1]
CCN(c1cncc(C(=O)OC)n1)C1CC[NH2+]CC1 COC(=O)[*:1] CCN(c1cncc(n1)[*:1])C1CC[NH2+]CC1
CCN(C(=O)c1cc2c(nc3sccn32)s1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)c1cc2c(nc3sccn32)s1)[*:1]
C[C@H]1CCC[C@](CO)(NC(=O)N[C@@H]2CCOC2)C1 C1C[C@H](CO1)[*:1] C[C@H]1CCC[C@@](CO)(C1)NC(=O)N[*:1]
CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CCC(=O)N1c2ccccc2-c2nnc(nc2O[C@H]1[*:1])SC
CC(=O)N[C@H](CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1 CC(=O)N[*:1] O=C(C[C@H](c1ccccc1)[*:1])Nc1ccccc1Cc1ccccc1
CC(=O)N[C@H](CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Nc1ccccc1C[*:1])c1ccccc1
CC(=O)N[C@H](CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Nc1ccccc1Cc1ccccc1)[*:1]
CC(=O)N[C@H](CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] CC(=O)N[C@H](CC(=O)Nc1ccccc1[*:1])c1ccccc1
COc1c(N)cc(-c2ccccc2)cc1C(=O)[O-] O=C([O-])[*:1] COc1c(N)cc(cc1[*:1])-c1ccccc1
COc1c(N)cc(-c2ccccc2)cc1C(=O)[O-] c1ccc(cc1)[*:1] COc1c(N)cc(cc1C(=O)[O-])[*:1]
CCCOC[C@@H]([NH2+]CC)[C@H]1COc2ccccc2C1 CCCOC[*:1] CC[NH2+][C@@H]([C@H]1COc2ccccc2C1)[*:1]
CCCOC[C@@H]([NH2+]CC)[C@H]1COc2ccccc2C1 CCC[*:1] CC[NH2+][C@H](CO[*:1])[C@H]1COc2ccccc2C1
CCCOC[C@@H]([NH2+]CC)[C@H]1COc2ccccc2C1 CCCO[*:1] CC[NH2+][C@H](C[*:1])[C@H]1COc2ccccc2C1
CCN(Cc1cccc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)c1)C(C)=O CCN(C[*:1])C(C)=O O=C(Nc1cccc(c1)[*:1])N[C@@H]1C=C[C@H](CO)C1
CCN(Cc1cccc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)c1)C(C)=O CCN(C(C)=O)[*:1] O=C(Nc1cccc(c1)C[*:1])N[C@@H]1C=C[C@H](CO)C1
CC(C)(C)C(=O)[C@H]1[C@@H](c2ccncc2)[C@@](C#N)(C(N)=O)[C@@H]2C=Cc3cc(Br)ccc3N21 CC(C)(C)[*:1] N#C[C@@]1(C(N)=O)[C@H](c2ccncc2)[C@H](C(=O)[*:1])N2c3ccc(Br)cc3C=C[C@H]21
CC(C)(C)C(=O)[C@H]1[C@@H](c2ccncc2)[C@@](C#N)(C(N)=O)[C@@H]2C=Cc3cc(Br)ccc3N21 c1cc(ccn1)[*:1] CC(C)(C)C(=O)[C@H]1[C@@H]([C@@](C#N)(C(N)=O)[C@@H]2C=Cc3cc(Br)ccc3N21)[*:1]
CC(C)(C)C(=O)[C@H]1[C@@H](c2ccncc2)[C@@](C#N)(C(N)=O)[C@@H]2C=Cc3cc(Br)ccc3N21 CC(C)(C)C(=O)[*:1] N#C[C@@]1(C(N)=O)[C@H](c2ccncc2)[C@@H](N2c3ccc(Br)cc3C=C[C@H]21)[*:1]
CC(C)(C)C(=O)[C@H]1[C@@H](c2ccncc2)[C@@](C#N)(C(N)=O)[C@@H]2C=Cc3cc(Br)ccc3N21 NC(=O)[*:1] CC(C)(C)C(=O)[C@H]1[C@@H](c2ccncc2)[C@@](C#N)([C@@H]2C=Cc3cc(Br)ccc3N21)[*:1]
CC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc5c(c4)OCO5)n3)CO[C@H]12 CC(=O)N[*:1] c1cc(nc(n1)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)[*:1])-c1ccc2OCOc2c1
CC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc5c(c4)OCO5)n3)CO[C@H]12 c1cc2OCOc2cc1[*:1] CC(=O)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Nc1nccc(n1)[*:1]
COc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C(=O)[O-])cc1OC O=C([O-])[*:1] COc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(cc1OC)[*:1]
CSc1nccc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1 CC(C)(C)[*:1] CSc1nccc(n1)N(C)C1CCN(CC1)C(=O)O[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C(N)=O)oc4ccccc34)C2)cc1 COc1ccc(cc1)[*:1] NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C(N)=O)oc4ccccc34)C2)cc1 NC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1c(oc2ccccc12)[*:1]
C[NH+]1CCC(C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)CC1 Clc1ccc(cc1)[*:1] C[NH+]1CCC(CC1)C(=O)NCC1(CCCCC1)[*:1]
Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] Cn1c(cnc1NC[*:1])-c1ccc2OCOc2c1
CCN(C(=O)c1cc(C(C)(C)C)nn1C)[C@H]1CCCC[C@@H]1C CC(C)(C)[*:1] CCN(C(=O)c1cc(nn1C)[*:1])[C@H]1CCCC[C@@H]1C
Cc1cc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3ccccc3c2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1
Cc1cc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3ccccc3c2)n(C)n1 c1ccc2cc(ccc2c1)[*:1] Cc1cc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)[*:1])n(C)n1
Cc1cc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3ccccc3c2)n(C)n1 Cc1cc(NC(=O)[*:1])n(C)n1 O=S(=O)(c1ccc2ccccc2c1)N1Cc2ccccc2C[C@H]1[*:1]
Nc1cn[nH]c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Nc1cn[nH]c1[*:1] O=S(=O)(N[*:1])c1ccc(Cl)c(Cl)c1
N#CCCN(Cc1ccc(Cl)c(Cl)c1)Cc1ccco1 N#CCC[*:1] Clc1ccc(cc1Cl)CN(Cc1ccco1)[*:1]
N#CCCN(Cc1ccc(Cl)c(Cl)c1)Cc1ccco1 c1coc(c1)[*:1] N#CCCN(Cc1ccc(Cl)c(Cl)c1)C[*:1]
N#CCCN(Cc1ccc(Cl)c(Cl)c1)Cc1ccco1 N#CC[*:1] Clc1ccc(cc1Cl)CN(Cc1ccco1)C[*:1]
N#CCCN(Cc1ccc(Cl)c(Cl)c1)Cc1ccco1 c1coc(c1)C[*:1] N#CCCN(Cc1ccc(Cl)c(Cl)c1)[*:1]
CC(C)c1nnc2n1C[C@@H](C[NH2+]Cc1c[nH]nc1C(C)(C)C)CC2 CC(C)(C)[*:1] CC(C)c1nnc2CC[C@H](C[NH2+]Cc3c[nH]nc3[*:1])Cn21
CC(C)c1nnc2n1C[C@@H](C[NH2+]Cc1c[nH]nc1C(C)(C)C)CC2 CC(C)[*:1] CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCc2nnc(n2C1)[*:1]
Cc1cccc(C(=O)OCC#CCSc2nnnn2-c2ccccc2C)c1 Cc1cccc(c1)[*:1] Cc1ccccc1-n1nnnc1SCC#CCOC(=O)[*:1]
Cc1cccc(C(=O)OCC#CCSc2nnnn2-c2ccccc2C)c1 Cc1ccccc1[*:1] Cc1cccc(c1)C(=O)OCC#CCSc1nnnn1[*:1]
CC(=O)c1cn(CC(=O)NCC(=O)NCC(=O)[O-])c2ccccc12 O=C([O-])CNC(=O)C[*:1] CC(=O)c1cn(CC(=O)N[*:1])c2ccccc12
CC(=O)c1cn(CC(=O)NCC(=O)NCC(=O)[O-])c2ccccc12 O=C([O-])[*:1] CC(=O)c1cn(CC(=O)NCC(=O)NC[*:1])c2ccccc12
CC(=O)c1cn(CC(=O)NCC(=O)NCC(=O)[O-])c2ccccc12 O=C([O-])CNC(=O)[*:1] CC(=O)c1cn(CC(=O)NC[*:1])c2ccccc12
CC(=O)c1cn(CC(=O)NCC(=O)NCC(=O)[O-])c2ccccc12 CC(=O)[*:1] O=C([O-])CNC(=O)CNC(=O)Cn1cc(c2ccccc21)[*:1]
CC(=O)c1cn(CC(=O)NCC(=O)NCC(=O)[O-])c2ccccc12 O=C([O-])C[*:1] CC(=O)c1cn(CC(=O)NCC(=O)N[*:1])c2ccccc12
COc1cccc(OCC(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)c1 COc1cccc(c1)OC[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[*:1]
COc1cccc(OCC(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)c1 COc1cccc(c1)O[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)C[*:1]
COc1cccc(OCC(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)c1 COc1cccc(c1)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)CO[*:1]
COc1cccc(OCC(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)c1 CS(=O)(=O)[*:1] COc1cccc(c1)OCC(=O)N1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
Cc1csc([C@H](C)NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)C1CCCCC1)[*:1]
Cc1csc([C@H](C)NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)n1 C1CCC(CC1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)c1cccc(c1)NC(=O)[*:1]
O=C(NCc1ccc(=O)[nH]c1)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(NCc1ccc(=O)[nH]c1)c1ccc(cc1)[*:1]
O=C(NCc1ccc(=O)[nH]c1)c1ccc(-n2ccnn2)cc1 O=c1ccc(c[nH]1)[*:1] O=C(NC[*:1])c1ccc(cc1)-n1ccnn1
C[C@H](CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
C[C@H](CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12)C[*:1]
C[C@@H](CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)Nc1ccccc1C(=O)N1CCOCC1)[*:1]
C[C@@H](CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)N1CCOCC1
C[C@@H](CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1 O=C(N1CCOCC1)[*:1] C[C@@H](CC(=O)Nc1ccccc1[*:1])c1ccccc1
Cc1cccc(C[NH2+][C@H](c2cccnc2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C[NH2+][C@H](c1cccnc1)[*:1]
Cc1cccc(C[NH2+][C@H](c2cccnc2)C(C)C)c1 c1cncc(c1)[*:1] Cc1cccc(c1)C[NH2+][C@H](C(C)C)[*:1]
Cc1cc(NC(=O)[C@@H]2CC(=O)O[C@@H]2c2ccccc2)no1 Cc1cc(no1)[*:1] O=C1C[C@@H](C(=O)N[*:1])[C@H](O1)c1ccccc1
Cc1cc(NC(=O)[C@@H]2CC(=O)O[C@@H]2c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@@H]1CC(=O)O[C@H]1[*:1]
CNC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCN(C(=O)OC)C2 COc1ccc(cc1OC)[*:1] CNC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)C(=O)OC
CNC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCN(C(=O)OC)C2 CNC(=O)[*:1] COC(=O)N1CCc2c(C1)sc(NC(=O)c1ccc(OC)c(c1)OC)c2[*:1]
O=C(NNc1cnccn1)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(NNc1cnccn1)Nc1ccccc1C[*:1]
O=C(NNc1cnccn1)Nc1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(NNc1cnccn1)Nc1ccccc1[*:1]
O=C(NNc1cnccn1)Nc1ccccc1Cc1ccccc1 c1cnc(cn1)[*:1] O=C(NN[*:1])Nc1ccccc1Cc1ccccc1
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(Cl)cc3Cl)cs1)C2=O Clc1ccc(c(Cl)c1)[*:1] C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1nc(cs1)[*:1])C2=O
O=C(NC[C@@H](O)c1ccoc1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](O)c1ccoc1)NC(c1ccccc1)[*:1]
O=C(NC[C@@H](O)c1ccoc1)NC(c1ccccc1)c1ccccc1 c1cc(co1)[*:1] O=C(NC[C@@H](O)[*:1])NC(c1ccccc1)c1ccccc1
CCOCC(=O)N1CCC(C(=O)NC[C@H]2COc3c(cccc3OC)C2)CC1 CCO[*:1] COc1cccc2C[C@@H](CNC(=O)C3CCN(CC3)C(=O)C[*:1])COc21
CCOCC(=O)N1CCC(C(=O)NC[C@H]2COc3c(cccc3OC)C2)CC1 CCOC[*:1] COc1cccc2C[C@@H](CNC(=O)C3CCN(CC3)C(=O)[*:1])COc21
Cc1cc(C)c2nc(N(CCC[NH+]3CCOCC3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 O=[N+]([O-])[*:1] Cc1cc(C)c2nc(sc2c1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(cc1)[*:1]
Cc1cc(C)c2nc(N(CCC[NH+]3CCOCC3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(C)c2nc(sc2c1)N(CCC[NH+]1CCOCC1)C(=O)[*:1]
Cc1cc(C(=O)N[C@H](C)c2ccc(C)o2)c2ccccc2n1 Cc1ccc(o1)[*:1] Cc1cc(C(=O)N[C@H](C)[*:1])c2ccccc2n1
Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)no1 Cc1cc(no1)[*:1] O=C(NC[C@H](c1ccco1)N1CCOCC1)[*:1]
Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)no1 C1CN(CCO1)[*:1] Cc1cc(no1)C(=O)NC[C@H](c1ccco1)[*:1]
Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)no1 c1coc(c1)[*:1] Cc1cc(no1)C(=O)NC[C@H](N1CCOCC1)[*:1]
O=C(CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)OC1CCCCC1 C1CCC(CC1)[*:1] O=C(CNC(=O)[C@H]1CCC[C@@H](C1)C(F)(F)F)O[*:1]
O=C(CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)OC1CCCCC1 FC(F)(F)[*:1] O=C(CNC(=O)[C@H]1CCC[C@H](C1)[*:1])OC1CCCCC1
Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(CNC(N)=O)cc1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)c1ccc(cc1)CNC(N)=O)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(CNC(N)=O)cc1 NC(=O)N[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(cc1)C[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(CNC(N)=O)cc1 NC(=O)NC[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(cc1)[*:1]
FC(F)(F)c1c[nH+]c(N2CCC[NH2+]CC2)c(Cl)c1 FC(F)(F)[*:1] Clc1cc(c[nH+]c1N1CCC[NH2+]CC1)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N1CCc2c(F)ccc(F)c2C1 CCCS(=O)(=O)[*:1] C[C@H](C(=O)N1CCc2c(F)ccc(F)c2C1)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)N1CCc2c(F)ccc(F)c2C1 CCC[*:1] C[C@H](C(=O)N1CCc2c(F)ccc(F)c2C1)S(=O)(=O)[*:1]
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)Cn1c(=O)oc2ccccc21 C1CCC(C1)[*:1] Cc1cc(ccc1NC(=O)Cn1c(=O)oc2ccccc21)C(=O)N[*:1]
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)Cn1c(=O)oc2ccccc21 O=C(NC1CCCC1)[*:1] Cc1cc(ccc1NC(=O)Cn1c(=O)oc2ccccc21)[*:1]
O=C(NC[C@H]1CCCO1)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 C1CO[C@H](C1)C[*:1] O=C(N[*:1])[C@H]1CC(=NO1)c1ccc(Cl)c(Cl)c1
O=C(NC[C@H]1CCCO1)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])[C@H]1CC(=NO1)c1ccc(Cl)c(Cl)c1
O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2[nH]cnc2c1 FC(F)(F)[*:1] O=C(NCc1cccc(c1)[*:1])c1ccc2[nH]cnc2c1
C[NH2+][C@H](C)c1ccc(OCc2nc(C(C)(C)C)cs2)cc1 CC(C)(C)[*:1] C[NH2+][C@H](C)c1ccc(cc1)OCc1nc(cs1)[*:1]
CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cn1 c1ccc(cc1)[*:1] CCn1cc(/C=c2/sc3=NC(C)=C(C(=O)N[*:1])[C@@H](c4cccs4)n3c2=O)cn1
CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cn1 c1csc(c1)[*:1] CCn1cc(/C=c2/sc3=NC(C)=C(C(=O)Nc4ccccc4)[C@@H](n3c2=O)[*:1])cn1
CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cn1 O=C(Nc1ccccc1)[*:1] CCn1cc(/C=c2/sc3=NC(C)=C([C@@H](c4cccs4)n3c2=O)[*:1])cn1
CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cn1 CCn1cc(cn1)[*:1] CC1N=c2sc(=C[*:1])c(=O)n2[C@@H](C=1C(=O)Nc1ccccc1)c1cccs1
C[C@@H](NC(=O)CCc1ccccc1O)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)CCc1ccccc1O)c1cccc(c1)[*:1]
C[C@@H](NC(=O)CCc1ccccc1O)c1cccc(S(N)(=O)=O)c1 Oc1ccccc1[*:1] C[C@@H](NC(=O)CC[*:1])c1cccc(c1)S(N)(=O)=O
C[C@@H](NC(=O)CCc1ccccc1O)c1cccc(S(N)(=O)=O)c1 Oc1ccccc1C[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(c1)S(N)(=O)=O
Cc1cc(C)n([C@@H](C)C(=O)NC[C@@H](C)Sc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)NC[C@@H](C)S[*:1]
Cc1cc(C)n([C@@H](C)C(=O)NC[C@@H](C)Sc2ccccc2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C(=O)NC[C@@H](C)Sc1ccccc1)[*:1]
Cc1cc(C)n([C@@H](C)C(=O)NC[C@@H](C)Sc2ccccc2)n1 c1ccc(cc1)S[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)NC[C@@H](C)[*:1]
Cc1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(N[C@H]1CCCN(C1=O)c1ccccc1F)N[*:1]
Cc1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c(F)c1 Fc1ccccc1[*:1] Cc1ccc(NC(=O)N[C@H]2CCCN(C2=O)[*:1])c(F)c1
Cc1noc(-c2ccc(S(=O)(=O)NC3CCC(C)CC3)s2)c1C Cc1noc(c1C)[*:1] CC1CCC(CC1)NS(=O)(=O)c1ccc(s1)[*:1]
Cc1noc(-c2ccc(S(=O)(=O)NC3CCC(C)CC3)s2)c1C CC1CCC(CC1)[*:1] Cc1noc(-c2ccc(s2)S(=O)(=O)N[*:1])c1C
C[C@H](CCN1CCOCC1)[NH2+][C@H](C)c1ccccc1N(C)C C1CN(CCO1)[*:1] C[C@H](CC[*:1])[NH2+][C@H](C)c1ccccc1N(C)C
C[C@H](CCN1CCOCC1)[NH2+][C@H](C)c1ccccc1N(C)C C1CN(CCO1)C[*:1] C[C@H](C[*:1])[NH2+][C@H](C)c1ccccc1N(C)C
C[C@H](CCN1CCOCC1)[NH2+][C@H](C)c1ccccc1N(C)C CN(C)[*:1] C[C@H](CCN1CCOCC1)[NH2+][C@H](C)c1ccccc1[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)C1CC1 O=C(N[*:1])C1CC1 O=S(=O)(c1cccc(c1)[*:1])N1CCCCCC1
O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCCCC1)[*:1]
Cc1cccc(-c2nc([C@H]([NH3+])c3ccccc3)n[nH]2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1nc(n[nH]1)[C@H]([NH3+])[*:1]
Cc1ccc2[nH]cc(CCNC(=O)Nc3cccc(F)c3)c2c1 Fc1cccc(c1)[*:1] Cc1ccc2[nH]cc(CCNC(=O)N[*:1])c2c1
O=C([C@H](c1ccccc1)N1CC=C(c2ccccc2)CC1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@H](c1ccccc1)N1CC=C(CC1)[*:1])N1CCOCC1
O=C([C@H](c1ccccc1)N1CC=C(c2ccccc2)CC1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@H](N1CC=C(CC1)c1ccccc1)[*:1])N1CCOCC1
O=C([C@H](c1ccccc1)N1CC=C(c2ccccc2)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] C1CN(CCC=1c1ccccc1)[C@@H](c1ccccc1)[*:1]
CCOc1cc2c(cc1[C@@H]1SCC(O)=Nc3c1cnn3C)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)[C@@H]1SCC(O)=Nc2c1cnn2C)[*:1]
COc1ccc(-c2cc(C(=O)/N=c3\[nH]cc(-c4ccc(F)cc4)n3C)on2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(on1)C(=O)/N=c1\[nH]cc(n1C)[*:1]
COc1ccc(-c2cc(C(=O)/N=c3\[nH]cc(-c4ccc(F)cc4)n3C)on2)cc1 COc1ccc(cc1)[*:1] Cn1c(c[nH]/c1=N\C(=O)c1cc(no1)[*:1])-c1ccc(F)cc1
COc1ccc(-c2n[nH]cc2/C=N/NC(=S)NC(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)-c1n[nH]cc1/C=N/NC(=S)N[*:1]
CCS[C@H]1CCCCN(c2ncnc3nc(N)ccc23)C1 CCS[*:1] Nc1ccc2c(ncnc2n1)N1CCCC[C@@H](C1)[*:1]
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1[C@@H](C)C[C@H]2CCCC[C@@H]21 CCO[*:1] C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cc(ccc1[*:1])C(=O)N(C)C
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1[C@@H](C)C[C@H]2CCCC[C@@H]21 CN(C)C(=O)[*:1] CCOc1ccc(cc1NC(=O)N1[C@@H](C)C[C@H]2CCCC[C@@H]21)[*:1]
CC(C)C[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccc(O)c1 C1CC1[*:1] CC(C)C[C@@H]1C[NH2+][C@@H](CN1Cc1cccc(O)c1)[*:1]
CC(C)C[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccc(O)c1 Oc1cccc(c1)[*:1] CC(C)C[C@@H]1C[NH2+][C@H](CN1C[*:1])C1CC1
CC(C)C[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccc(O)c1 CC(C)C[*:1] Oc1cccc(c1)CN1C[C@@H]([NH2+]C[C@H]1[*:1])C1CC1
CC(C)C[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccc(O)c1 CC(C)[*:1] Oc1cccc(c1)CN1C[C@@H]([NH2+]C[C@H]1C[*:1])C1CC1
Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@@H]1CCOC1 Brc1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@@H]1CCOC1)[*:1]
C[C@H]1CC(n2c(CCCl)nc3cccnc32)C[C@H](C)C1 ClCC[*:1] C[C@H]1CC(C[C@H](C)C1)n1c(nc2cccnc21)[*:1]
CCCC(=O)N1CCC[C@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 O=[N+]([O-])[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)NC(C)(C)c1ccc(cc1)[*:1]
CCCC(=O)N1CCC[C@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 CCC[*:1] CC(C)(NC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC[C@H]1CCC[C@H](NC(=O)Nc2cccc(COC)c2)C1 COC[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)Nc1cccc(c1)[*:1]
COc1cc(F)cc(CNC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 C1CN(CCO1)[*:1] COc1cc(F)cc(c1)CNC(=O)N[C@@H](C[*:1])c1ccccc1
COc1cc(F)cc(CNC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cc(F)cc(c1)CNC(=O)N[C@@H](CN1CCOCC1)[*:1]
COc1cc(F)cc(CNC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 C1CN(CCO1)C[*:1] COc1cc(F)cc(c1)CNC(=O)N[C@@H](c1ccccc1)[*:1]
COc1cc(F)cc(CNC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 COc1cc(F)cc(c1)[*:1] O=C(NC[*:1])N[C@@H](CN1CCOCC1)c1ccccc1
COCc1ccccc1NCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COCc1ccccc1NCc1cccc(c1)[*:1]
COCc1ccccc1NCc1cccc([N+](=O)[O-])c1 COC[*:1] O=[N+]([O-])c1cccc(c1)CNc1ccccc1[*:1]
O=[N+]([O-])c1cc(F)ccc1NCc1ccccc1Cl O=[N+]([O-])[*:1] Fc1ccc(NCc2ccccc2Cl)c(c1)[*:1]
COc1cc(F)c([C@H](C)NC(=O)[C@H](C)CSC)cc1OC CSC[C@@H](C)[*:1] COc1cc(F)c(cc1OC)[C@H](C)NC(=O)[*:1]
COc1cc(F)c([C@H](C)NC(=O)[C@H](C)CSC)cc1OC CSC[*:1] COc1cc(F)c(cc1OC)[C@H](C)NC(=O)[C@H](C)[*:1]
O=C(CN1CCCC2(C1)OCCO2)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(CN1CCCC2(C1)OCCO2)Nc1nc(cs1)[*:1]
CC1=C[C@]2(Nc3cccc(C)c3O2)c2c(C)nn(-c3ccccc3)c2O1 c1ccc(cc1)[*:1] CC1=C[C@]2(Nc3cccc(C)c3O2)c2c(C)nn(c2O1)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1N1CCC[C@@H](O)C1 FC(F)[*:1] O=[N+]([O-])c1cc(ccc1N1CCC[C@@H](O)C1)S(=O)(=O)[N-]c1ccccc1O[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1N1CCC[C@@H](O)C1 FC(F)Oc1ccccc1[*:1] O=[N+]([O-])c1cc(ccc1N1CCC[C@@H](O)C1)S(=O)(=O)[N-][*:1]
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1N1CCC[C@@H](O)C1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1ccccc1OC(F)F)c1ccc(c(c1)[*:1])N1CCC[C@@H](O)C1
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1N1CCC[C@@H](O)C1 O[C@@H]1CCCN(C1)[*:1] O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)[N-]c1ccccc1OC(F)F
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1N1CCC[C@@H](O)C1 FC(F)O[*:1] O=[N+]([O-])c1cc(ccc1N1CCC[C@@H](O)C1)S(=O)(=O)[N-]c1ccccc1[*:1]
COC1CCN(C(=O)C[C@@H](c2cccc(O)c2)c2cccc(Cl)c2)CC1 Oc1cccc(c1)[*:1] COC1CCN(CC1)C(=O)C[C@@H](c1cccc(Cl)c1)[*:1]
COC1CCN(C(=O)C[C@@H](c2cccc(O)c2)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] COC1CCN(CC1)C(=O)C[C@@H](c1cccc(O)c1)[*:1]
COC[C@H](C)NC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] COC[C@H](C)NC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
COC[C@H](C)NC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 COC[C@H](C)[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCC[C@@H]1c1ccccc1)N[*:1]
COC[C@H](C)NC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 COC[*:1] C[C@H](NC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H]1c1ccccc1)[*:1]
COC[C@H](C)NC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 COC[C@H](C)NC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@@H]1c1ccccc1
CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2)cc1 CCN(CC)C(=O)[*:1] N#Cc1ccc(cc1)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)C[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)C(=O)N[*:1]
O=C(Nc1ccccc1Cl)C1CN(C(=O)COc2ccccc2F)C1 Fc1ccccc1[*:1] O=C(Nc1ccccc1Cl)C1CN(C1)C(=O)CO[*:1]
O=C(Nc1ccccc1Cl)C1CN(C(=O)COc2ccccc2F)C1 Fc1ccccc1O[*:1] O=C(Nc1ccccc1Cl)C1CN(C1)C(=O)C[*:1]
O=C(Nc1ccccc1Cl)C1CN(C(=O)COc2ccccc2F)C1 Clc1ccccc1[*:1] O=C(N[*:1])C1CN(C1)C(=O)COc1ccccc1F
CC[C@H](NC(=O)NC(C)(C)Cc1ccccc1OC)c1ccncc1 COc1ccccc1[*:1] CC[C@H](NC(=O)NC(C)(C)C[*:1])c1ccncc1
CC[C@H](NC(=O)NC(C)(C)Cc1ccccc1OC)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)NC(C)(C)Cc1ccccc1OC)[*:1]
Cc1ccc(C(=O)NCc2nc3ccccc3s2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NCc1nc2ccccc2s1
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(c(CC(=O)Nc2ccccc2)s1)[*:1]
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(C)sc1CC(=O)N[*:1]
CC(C)[C@@H](C(=O)Nc1ccccc1F)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(Nc1ccccc1F)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC(C)[C@@H](C(=O)Nc1ccccc1F)N1C(=O)c2ccccc2C1=O Fc1ccccc1[*:1] CC(C)[C@@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
COc1ccc(CN(C(=O)Nc2cncc(C)c2)[C@@H](C)C2CC2)cc1 COc1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)N(C[*:1])[C@@H](C)C1CC1
COc1ccc(CN(C(=O)Nc2cncc(C)c2)[C@@H](C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)Nc1cncc(C)c1)[C@@H](C)[*:1]
COc1ccc(CN(C(=O)Nc2cncc(C)c2)[C@@H](C)C2CC2)cc1 Cc1cncc(c1)[*:1] COc1ccc(cc1)CN(C(=O)N[*:1])[C@@H](C)C1CC1
CNc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1c(Cl)cc(cc1[*:1])[N+](=O)[O-]
CNc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1c(Cl)cc(cc1[N+](=O)[O-])[*:1]
CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 c1coc(c1)[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)C(=O)c1ccc([nH]c1=O)[*:1]
O=C(C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O)N1CC[NH+](C2CCCC2)CC1 c1ccc(cc1)[*:1] O=C(C[C@]1(CC(=O)N(C1=O)C1CC1)c1ccc(cc1)[*:1])N1CC[NH+](CC1)C1CCCC1
O=C(C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O)N1CC[NH+](C2CCCC2)CC1 c1ccc(cc1)-c1ccc(cc1)[*:1] O=C(C[C@]1(CC(=O)N(C1=O)C1CC1)[*:1])N1CC[NH+](CC1)C1CCCC1
O=C(C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O)N1CC[NH+](C2CCCC2)CC1 C1CC1[*:1] O=C(C[C@]1(CC(=O)N(C1=O)[*:1])c1ccc(cc1)-c1ccccc1)N1CC[NH+](CC1)C1CCCC1
COC[C@@H](NC(=O)CCc1cccc(C)c1)c1ccc(F)c(F)c1 COC[*:1] Cc1cccc(c1)CCC(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COC[C@@H](NC(=O)CCc1cccc(C)c1)c1ccc(F)c(F)c1 Cc1cccc(c1)C[*:1] COC[C@@H](NC(=O)C[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)CCc1cccc(C)c1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)CCc1cccc(C)c1)[*:1]
COC[C@@H](NC(=O)CCc1cccc(C)c1)c1ccc(F)c(F)c1 Cc1cccc(c1)[*:1] COC[C@@H](NC(=O)CC[*:1])c1ccc(F)c(F)c1
COc1ccc([C@H](O)[C@H](C)NC(=O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)[C@H](O)[C@H](C)NC(=O)[*:1]
C[C@@H](Cc1ccccc1Cl)NC(=O)Cn1cnnn1 c1nnnn1C[*:1] C[C@@H](Cc1ccccc1Cl)NC(=O)[*:1]
C[C@@H](Cc1ccccc1Cl)NC(=O)Cn1cnnn1 c1nnnn1[*:1] C[C@@H](Cc1ccccc1Cl)NC(=O)C[*:1]
CC1(C)CC(=O)C(/C=N/c2ccc([N+](=O)[O-])cc2)=C([O-])C1 O=[N+]([O-])[*:1] CC1(C)CC(=O)C(/C=N/c2ccc(cc2)[*:1])=C([O-])C1
COc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c(OC)c1 Fc1ccc(C[*:1])c(Cl)c1 COc1ccc(C(=O)Nc2c(C)nn(c2C)[*:1])c(c1)OC
COc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c(OC)c1 Fc1ccc(c(Cl)c1)[*:1] COc1ccc(C(=O)Nc2c(C)nn(C[*:1])c2C)c(c1)OC
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@@H](C)Oc1ccccc1Cl Clc1ccccc1[*:1] C[C@H]1[C@H](CCN1C(=O)[C@@H](C)O[*:1])C(=O)[O-]
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@@H](C)Oc1ccccc1Cl O=C([O-])[*:1] C[C@H]1[C@@H](CCN1C(=O)[C@@H](C)Oc1ccccc1Cl)[*:1]
Cc1c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)cccc1[N+](=O)[O-] Fc1ccccc1[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
Cc1c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)cccc1[N+](=O)[O-] Cc1c(cccc1[*:1])[N+](=O)[O-] O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)N[*:1]
Cc1c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F
COC(=O)C[C@H](NC(=O)c1csc(-c2cnccn2)n1)C1CC1 C1CC1[*:1] COC(=O)C[C@H](NC(=O)c1csc(n1)-c1cnccn1)[*:1]
COC(=O)C[C@H](NC(=O)c1csc(-c2cnccn2)n1)C1CC1 c1cnc(cn1)[*:1] COC(=O)C[C@H](NC(=O)c1csc(n1)[*:1])C1CC1
COC(=O)C[C@H](NC(=O)c1csc(-c2cnccn2)n1)C1CC1 COC(=O)[*:1] O=C(N[C@@H](C[*:1])C1CC1)c1csc(n1)-c1cnccn1
COC(=O)C[C@H](NC(=O)c1csc(-c2cnccn2)n1)C1CC1 COC(=O)C[*:1] O=C(N[C@H](C1CC1)[*:1])c1csc(n1)-c1cnccn1
CCc1n[n-]c([S@@](=O)CCCc2nc(-c3ccc(C)c(F)c3)no2)n1 Cc1ccc(cc1F)[*:1] CCc1n[n-]c(n1)[S@@](=O)CCCc1nc(no1)[*:1]
O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 O=C(N1CCc2ccccc21)[*:1] O=C(OC[*:1])c1ccccc1NS(=O)(=O)c1ccc2OCCOc2c1
O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1NS(=O)(=O)[*:1]
Cc1ccc(Nn2c(C)ccc2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])Nn1c(C)ccc1C
C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@H](C)Cc1ccccc1F Fc1ccccc1C[*:1] C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@H](C)[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@H](C)Cc1ccccc1F Oc1cccc(c1)[*:1] C[C@@H](N(C)C(=O)N[C@H](C)Cc1ccccc1F)[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@H](C)Cc1ccccc1F Fc1ccccc1[*:1] C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@H](C)C[*:1]
N#C[C@H]1CN(C(=O)CC[NH2+]C2CC2)CCO1 C1CC1[*:1] N#C[C@H]1CN(CCO1)C(=O)CC[NH2+][*:1]
Cn1cc([C@@](C)(O)C/[NH+]=C/c2cc(Br)ccc2O)cn1 Cn1cc(cn1)[*:1] C[C@@](O)(C/[NH+]=C/c1cc(Br)ccc1O)[*:1]
O=S(=O)(c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC2(CC1)OCCO2
COC(=O)c1c(NC(=O)COc2ccccc2C#N)sc(C)c1C N#Cc1ccccc1[*:1] COC(=O)c1c(NC(=O)CO[*:1])sc(C)c1C
COC(=O)c1c(NC(=O)COc2ccccc2C#N)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)COc2ccccc2C#N)c(c1C)[*:1]
C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 C1CC1[*:1] C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 C[C@H](C1CC1)[*:1] Fc1cc(ccc1Cl)[C@H]1OCC[C@@H]1[NH2+][*:1]
O=C(COc1ccc(Cl)cc1)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1
O=C(COc1ccc(Cl)cc1)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1
O=C(COc1ccc(Cl)cc1)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 Clc1ccc(cc1)OC[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)N1CCCc2ccccc21
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(F)nc2)cc1Cl CCC(C)(C)NC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1ccc(F)nc1
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(F)nc2)cc1Cl Fc1ccc(cn1)[*:1] CCC(C)(C)NC(=O)c1ccc(cc1Cl)NC(=O)[*:1]
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(F)nc2)cc1Cl CCC(C)(C)[*:1] O=C(Nc1ccc(C(=O)N[*:1])c(Cl)c1)c1ccc(F)nc1
Cn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2Cl)c1=O Clc1ccccc1[*:1] Cn1c(=O)c2sccc2n(CC(=O)NC[*:1])c1=O
Cn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2Cl)c1=O Clc1ccccc1C[*:1] Cn1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
C[C@H](NC(=O)NCC(=O)N1CCCC1)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCC(=O)N1CCCC1)C(C)(C)[*:1]
C[C@H](NC(=O)NCC(=O)N1CCCC1)C(C)(C)c1ccccc1 O=C(N1CCCC1)[*:1] C[C@H](NC(=O)NC[*:1])C(C)(C)c1ccccc1
C[C@@H](CN1CCCC1=O)[NH2+][C@H](C)c1cc(F)cc(F)c1 O=C1CCCN1[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)c1cc(F)cc(F)c1
Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Br)cc3)oc2NC[C@@H]2CCCO2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1nc(oc1NC[C@@H]1CCCO1)[*:1]
Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Br)cc3)oc2NC[C@@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(c1nc(oc1NC[C@@H]1CCCO1)-c1ccc(Br)cc1)[*:1]
C[C@H]1CN(c2cc(C(N)=[NH2+])c3ccccc3[nH+]2)C[C@@H]1C NC(=[NH2+])[*:1] C[C@H]1CN(C[C@@H]1C)c1cc(c2ccccc2[nH+]1)[*:1]
C=CCN1C(=O)NC(=O)/C(=C(/C)Nc2ccc3c(c2)CCC3)C1=O C=CC[*:1] C/C(Nc1ccc2CCCc2c1)=C1/C(=O)NC(=O)N(C1=O)[*:1]
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccncc1)N(CC(C)C)C3=O c1cc(ccn1)[*:1] Cc1cc2oc3C(=O)N(CC(C)C)[C@H](c3c(=O)c2cc1Cl)[*:1]
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccncc1)N(CC(C)C)C3=O CC(C)C[*:1] Cc1cc2oc3C(=O)N([C@H](c4ccncc4)c3c(=O)c2cc1Cl)[*:1]
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccncc1)N(CC(C)C)C3=O CC(C)[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@H](c4ccncc4)c3c(=O)c2cc1Cl
COc1ccccc1COC1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 COc1ccccc1[*:1] O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC(CC1)OC[*:1]
COc1ccccc1COC1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] COc1ccccc1COC1CCN(CC1)C(=O)[C@H]1C[C@H]1[*:1]
C1=CC[C@H]([NH2+]Cc2cnc(-c3ccsc3)s2)CC1 c1cc(cs1)[*:1] C1=CC[C@@H](CC1)[NH2+]Cc1cnc(s1)[*:1]
COc1ccc(C(=O)Nc2nc(C)c3cc4c(cc3n2)OCO4)cc1 COc1ccc(cc1)[*:1] Cc1nc(nc2cc3OCOc3cc12)NC(=O)[*:1]
Cc1ccc(C(=O)CSc2nc3sc(C)cc3c(=O)n2C)s1 Cc1ccc(s1)[*:1] Cc1cc2c(=O)n(C)c(nc2s1)SCC(=O)[*:1]
Cc1nccn1-c1cc(N2CCC(C(=O)Nc3cccc4ccccc34)CC2)ncn1 c1ccc2c(cccc2c1)[*:1] Cc1nccn1-c1cc(ncn1)N1CCC(CC1)C(=O)N[*:1]
Cc1nccn1-c1cc(N2CCC(C(=O)Nc3cccc4ccccc34)CC2)ncn1 Cc1nccn1[*:1] O=C(Nc1cccc2ccccc12)C1CCN(CC1)c1cc(ncn1)[*:1]
CCO[C@H]1CCCN(C(=O)NC2CCC(C)(C)CC2)C1 CCO[*:1] CC1(C)CCC(CC1)NC(=O)N1CCC[C@@H](C1)[*:1]
CN(Cc1ncc(C(=O)[O-])cn1)S(=O)(=O)c1ccc(Cl)cc1 O=C([O-])[*:1] CN(Cc1ncc(cn1)[*:1])S(=O)(=O)c1ccc(Cl)cc1
CN(Cc1ncc(C(=O)[O-])cn1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(Cc1ncc(cn1)C(=O)[O-])S(=O)(=O)[*:1]
O=C(NC[C@H]1COCCO1)Nc1ccccc1-c1cccs1 c1csc(c1)[*:1] O=C(NC[C@H]1COCCO1)Nc1ccccc1[*:1]
CC1(C)CN(C(=O)CCS(=O)(=O)C2CCCC2)c2ccccc2S1 O=S(=O)(C1CCCC1)[*:1] CC1(C)CN(C(=O)CC[*:1])c2ccccc2S1
CC1(C)CN(C(=O)CCS(=O)(=O)C2CCCC2)c2ccccc2S1 C1CCC(C1)[*:1] CC1(C)CN(C(=O)CCS(=O)(=O)[*:1])c2ccccc2S1
CC[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] CC[S@](=O)Cc1coc(n1)-c1ccc(cc1)[*:1]
CCCn1cc(NC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cn1 CCC[*:1] O=C(Nc1cnn(c1)[*:1])Nc1cccn(Cc2ccc(F)cc2)c1=O
CCCn1cc(NC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cn1 CCCn1cc(cn1)[*:1] O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)N[*:1]
CCCn1cc(NC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cn1 Fc1ccc(cc1)C[*:1] CCCn1cc(cn1)NC(=O)Nc1cccn(c1=O)[*:1]
CCCn1cc(NC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cn1 Fc1ccc(cc1)[*:1] CCCn1cc(cn1)NC(=O)Nc1cccn(C[*:1])c1=O
CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2COc3ccccc3O2)c1 CC(C)(C)[*:1] O=C(Nc1cc(ccc1O)[*:1])[C@H]1COc2ccccc2O1
COC(=O)[C@H]1[NH+]=c2cccc(OC)c2=C1NC(=O)C1CC1 C1CC1[*:1] COC(=O)[C@H]1[NH+]=c2cccc(OC)c2=C1NC(=O)[*:1]
COC(=O)[C@H]1[NH+]=c2cccc(OC)c2=C1NC(=O)C1CC1 COC(=O)[*:1] COc1cccc2=[NH+][C@@H](C(NC(=O)C3CC3)=c12)[*:1]
COC(=O)[C@H]1[NH+]=c2cccc(OC)c2=C1NC(=O)C1CC1 O=C(N[*:1])C1CC1 COC(=O)[C@H]1[NH+]=c2cccc(OC)c2=C1[*:1]
COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccccc4Cl)cnc23)c1 Clc1ccccc1[*:1] COc1cccc(c1)-c1cn(C)c2c(=O)n(cnc12)CC(=O)N[*:1]
COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccccc4Cl)cnc23)c1 COc1cccc(c1)[*:1] Cn1cc(c2ncn(CC(=O)Nc3ccccc3Cl)c(=O)c21)[*:1]
COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccccc4Cl)cnc23)c1 O=C(Nc1ccccc1Cl)[*:1] COc1cccc(c1)-c1cn(C)c2c(=O)n(cnc12)C[*:1]
CC(=O)c1ccc(Nc2ncnc(NC[C@H]3CCCO3)c2N)cc1 CC(=O)[*:1] Nc1c(ncnc1Nc1ccc(cc1)[*:1])NC[C@H]1CCCO1
CC(=O)c1ccc(Nc2ncnc(NC[C@H]3CCCO3)c2N)cc1 C1CO[C@H](C1)[*:1] CC(=O)c1ccc(cc1)Nc1ncnc(NC[*:1])c1N
CC(=O)c1ccc(Nc2ncnc(NC[C@H]3CCCO3)c2N)cc1 C1CO[C@H](C1)CN[*:1] CC(=O)c1ccc(cc1)Nc1ncnc(c1N)[*:1]
CCC(CC)CN1CC2(CCN(C(=O)c3n[nH]c4c3CCC4)CC2)OC1=O CCC(CC)C[*:1] O=C(c1n[nH]c2CCCc12)N1CCC2(CC1)CN(C(=O)O2)[*:1]
CCC(CC)CN1CC2(CCN(C(=O)c3n[nH]c4c3CCC4)CC2)OC1=O C1Cc2[nH]nc(c2C1)[*:1] CCC(CC)CN1CC2(CCN(CC2)C(=O)[*:1])OC1=O
CCC(CC)CN1CC2(CCN(C(=O)c3n[nH]c4c3CCC4)CC2)OC1=O CCC(CC)[*:1] O=C1OC2(CCN(CC2)C(=O)c2n[nH]c3CCCc23)CN1C[*:1]
O=C(Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccccc21)NC1CCCC1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)c(cc2ccccc21)S(=O)(=O)[*:1])NC1CCCC1
O=C(Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccccc21)NC1CCCC1 O=S(=O)(c1ccccc1)[*:1] O=C(Cn1c(=O)c(cc2ccccc21)[*:1])NC1CCCC1
O=C(Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccccc21)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=c1c(cc2ccccc2n1C[*:1])S(=O)(=O)c1ccccc1
O=C(Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccccc21)NC1CCCC1 O=C(C[*:1])NC1CCCC1 O=c1c(cc2ccccc2n1[*:1])S(=O)(=O)c1ccccc1
O=C(Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2ccccc21)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1c(=O)c(cc2ccccc21)S(=O)(=O)c1ccccc1)N[*:1]
Cc1ccc(O[C@H](C)c2nnc(SCC(N)=O)n2C)c(C)c1 NC(=O)[*:1] Cc1ccc(O[C@H](C)c2nnc(SC[*:1])n2C)c(C)c1
Cc1ccc(O[C@H](C)c2nnc(SCC(N)=O)n2C)c(C)c1 NC(=O)C[*:1] Cc1ccc(O[C@H](C)c2nnc(S[*:1])n2C)c(C)c1
Cc1ccc(O[C@H](C)c2nnc(SCC(N)=O)n2C)c(C)c1 NC(=O)CS[*:1] Cc1ccc(O[C@H](C)c2nnc(n2C)[*:1])c(C)c1
CC[NH2+][C@H]1[C@@H](SCCS(C)(=O)=O)CCCC1(C)C CS(=O)(=O)CC[*:1] CC[NH2+][C@H]1[C@H](CCCC1(C)C)S[*:1]
CC[NH2+][C@H]1[C@@H](SCCS(C)(=O)=O)CCCC1(C)C CS(=O)(=O)C[*:1] CC[NH2+][C@H]1[C@H](CCCC1(C)C)SC[*:1]
CC[NH2+][C@H]1[C@@H](SCCS(C)(=O)=O)CCCC1(C)C CS(=O)(=O)[*:1] CC[NH2+][C@H]1[C@H](CCCC1(C)C)SCC[*:1]
COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1C Cc1ccc(cc1C)[*:1] COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(CC2)S(=O)(=O)[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1C COC(=O)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)CC(=O)c1[nH]c(C)c(c1C)[*:1]
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)CC2)cc1 CCOc1ccc(cc1)[*:1] C[C@]12CCC(=O)N1[C@@H](CS2)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)CC2)cc1 CCO[*:1] C[C@]12CCC(=O)N1[C@@H](CS2)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CCc1noc(CC)c1CNC(=O)CCc1nc(C)no1 Cc1noc(n1)[*:1] CCc1noc(CC)c1CNC(=O)CC[*:1]
CCc1noc(CC)c1CNC(=O)CCc1nc(C)no1 Cc1noc(C[*:1])n1 CCc1noc(CC)c1CNC(=O)C[*:1]
COCCN1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1=O COCC[*:1] O=C(N[C@@H](c1ccccc1)C1CCCC1)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1=O c1ccc(cc1)[*:1] COCCN1CCN(CC1=O)C(=O)N[C@@H](C1CCCC1)[*:1]
COCCN1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1=O C1CCC(C1)[*:1] COCCN1CCN(CC1=O)C(=O)N[C@@H](c1ccccc1)[*:1]
COCCN1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)N[C@@H](c1ccccc1)C1CCCC1
CSCC[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 CSC[*:1] C[C@H](C[*:1])NC(=O)N1CCN(CC1)c1ccc(C#N)cc1F
CSCC[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 CSCC[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ccc(C#N)cc1F)[*:1]
CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1cccc(OC)c1)S2 COc1ccc(cc1Cl)[*:1] CCc1nnc2S[C@@H](C(=O)Nc3cccc(c3)OC)[C@H](Nn12)[*:1]
CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1cccc(OC)c1)S2 COc1cccc(c1)[*:1] CCc1nnc2S[C@@H](C(=O)N[*:1])[C@@H](Nn12)c1ccc(OC)c(Cl)c1
C[C@@H](OC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)c1nccs1 c1csc(n1)[*:1] C[C@@H](OC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)[*:1]
C=CCn1c(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1C1CC1 C1CC1[*:1] C=CCn1c(nnc1[*:1])S[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1
C=CCn1c(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1C1CC1 C=CC[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@@H](C)Sc1nnc(C2CC2)n1[*:1]
CC(C)C[C@@H]1COCCN1C(=O)NCCC(=O)NCc1ccncc1 c1cc(ccn1)[*:1] CC(C)C[C@@H]1COCCN1C(=O)NCCC(=O)NC[*:1]
CC(C)C[C@@H]1COCCN1C(=O)NCCC(=O)NCc1ccncc1 c1cc(ccn1)C[*:1] CC(C)C[C@@H]1COCCN1C(=O)NCCC(=O)N[*:1]
CC(C)C[C@@H]1COCCN1C(=O)NCCC(=O)NCc1ccncc1 CC(C)[*:1] O=C(CCNC(=O)N1CCOC[C@H]1C[*:1])NCc1ccncc1
CC(C)C[C@@H]1COCCN1C(=O)NCCC(=O)NCc1ccncc1 CC(C)C[*:1] O=C(CCNC(=O)N1CCOC[C@H]1[*:1])NCc1ccncc1
Cc1ccc(N([C@H](C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1C C1CCCC(CC1)[*:1] Cc1ccc(cc1C)N([C@H](C)C(=O)N[*:1])S(C)(=O)=O
Cc1ccc(N([C@H](C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1C Cc1ccc(cc1C)[*:1] C[C@H](C(=O)NC1CCCCCC1)N(S(C)(=O)=O)[*:1]
COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1CN(C)CCO1 COC(=O)[C@@H](C)[*:1] CN1CCO[C@@H](C1)C(=O)N(C)C[*:1]
COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1CN(C)CCO1 COC(=O)[*:1] C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)[*:1]
Cc1ccc(CNC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])N1CCC(CC1)C(=O)N1CCCCCC1
Cc1ccc(CNC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])N1CCC(CC1)C(=O)N1CCCCCC1
COC(=O)[C@@]1(F)CCN(C(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)C1 CC(C)[*:1] COC(=O)[C@@]1(F)CCN(C1)C(=O)[C@H](NC(=O)c1ccccc1F)[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)C1 Fc1ccccc1[*:1] COC(=O)[C@@]1(F)CCN(C1)C(=O)[C@H](NC(=O)[*:1])C(C)C
COC(=O)[C@@]1(F)CCN(C(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)C1 COC(=O)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CC[C@](F)(C1)[*:1]
Cn1nnc2c(N3CCN(C(=O)NC4CCCCC4)CC3)ncnc21 C1CCC(CC1)[*:1] Cn1nnc2c(ncnc21)N1CCN(CC1)C(=O)N[*:1]
Cc1cc(CN2CCO[C@@H](c3cccs3)C2)c(C)n1CCN1CCOCC1 c1csc(c1)[*:1] Cc1cc(CN2CCO[C@@H](C2)[*:1])c(C)n1CCN1CCOCC1
Cc1cc(CN2CCO[C@@H](c3cccs3)C2)c(C)n1CCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1cc(CN2CCO[C@H](C2)c2cccs2)c(C)n1[*:1]
Cc1cc(CN2CCO[C@@H](c3cccs3)C2)c(C)n1CCN1CCOCC1 C1CN(CCO1)[*:1] Cc1cc(CN2CCO[C@H](C2)c2cccs2)c(C)n1CC[*:1]
Cc1cc(CN2CCO[C@@H](c3cccs3)C2)c(C)n1CCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1cc(CN2CCO[C@H](C2)c2cccs2)c(C)n1C[*:1]
CN(Cc1csc2ccccc12)C(=O)NCc1cccc(C(N)=O)c1 NC(=O)[*:1] CN(Cc1csc2ccccc12)C(=O)NCc1cccc(c1)[*:1]
CC(C)Oc1ccc(C#N)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] CC(C)[*:1] CN(CC(=O)Nc1cc(C#N)ccc1O[*:1])c1ccccc1[N+](=O)[O-]
CC(C)Oc1ccc(C#N)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)CN(C)c1ccccc1[*:1]
CC(C)Oc1ccc(C#N)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)CN(C)[*:1]
CC(C)Oc1ccc(C#N)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] CC(C)O[*:1] CN(CC(=O)Nc1cc(C#N)ccc1[*:1])c1ccccc1[N+](=O)[O-]
CCn1c([C@@H](C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21 COc1ccc(cc1)[*:1] CCn1c(nc2ccccc21)[C@@H](C)NC(=O)C[*:1]
O=C(CS(=O)(=O)c1ccc2ccccc2n1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(C[*:1])c1ccc2ccccc2n1
C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1[C@@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1[C@@H](C)[*:1]
COc1ccc([C@H](NC[C@H]2C[NH+]3CCN2CC3)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NC[C@H]1C[NH+]2CCN1CC2)[*:1]
C[C@@H](C(=O)[O-])[C@@H](C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@@H](C(=O)[O-])[C@@H](C)c1ccc(cc1)[*:1]
C[C@@H](C(=O)[O-])[C@@H](C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](C(=O)[O-])[C@@H](C)c1ccc(cc1)O[*:1]
C[C@@H](C(=O)[O-])[C@@H](C)c1ccc(OC(F)(F)F)cc1 O=C([O-])[*:1] C[C@@H](c1ccc(cc1)OC(F)(F)F)[C@H](C)[*:1]
Cn1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C[NH2+]Cc2ccnc(c2)N2CC[NH+](C)CC2)c(n1)[*:1]
Cc1csc(CNC(=O)CC[C@@H]2CCCO2)n1 C1CO[C@@H](C1)[*:1] Cc1csc(CNC(=O)CC[*:1])n1
Cc1ccc(SCC(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)cc1 Cc1ccc(cc1)SC[*:1] O=C(N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1)[*:1]
Cc1ccc(SCC(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)cc1 Cc1ccc(cc1)S[*:1] O=C(C[*:1])N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1
Cc1ccc(SCC(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)cc1 Cc1ccc(cc1)[*:1] O=C(CS[*:1])N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1
Cc1ccc(SCC(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)SCC(=O)N(C[*:1])c1nc2c(F)cc(F)cc2s1
Cc1ccc(SCC(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)SCC(=O)N(c1nc2c(F)cc(F)cc2s1)[*:1]
CC[C@@H](C)C[NH2+][C@H](C(N)=O)C(C)(C)C CC[C@@H](C)[*:1] CC(C)(C)[C@H]([NH2+]C[*:1])C(N)=O
CC[C@@H](C)C[NH2+][C@H](C(N)=O)C(C)(C)C CC(C)(C)[*:1] CC[C@@H](C)C[NH2+][C@H](C(N)=O)[*:1]
CC[C@@H](C)C[NH2+][C@H](C(N)=O)C(C)(C)C NC(=O)[*:1] CC[C@@H](C)C[NH2+][C@H](C(C)(C)C)[*:1]
C[C@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)N[*:1]
CCc1nn(C)cc1C(=O)OCc1nc(Cc2ccc(F)cc2)no1 CCc1nn(C)cc1[*:1] O=C(OCc1nc(Cc2ccc(F)cc2)no1)[*:1]
CCc1nn(C)cc1C(=O)OCc1nc(Cc2ccc(F)cc2)no1 Fc1ccc(cc1)C[*:1] CCc1nn(C)cc1C(=O)OCc1nc(no1)[*:1]
CCc1nn(C)cc1C(=O)OCc1nc(Cc2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)OCc1nc(C[*:1])no1
CN(C)C(=O)[C@@H](Sc1n[nH]c2nc3ccccc3n12)c1ccccc1 CN(C)C(=O)[*:1] c1ccc(cc1)[C@H](Sc1n[nH]c2nc3ccccc3n12)[*:1]
CN(C)C(=O)[C@@H](Sc1n[nH]c2nc3ccccc3n12)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](Sc1n[nH]c2nc3ccccc3n12)[*:1]
CC(C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CC(C)[NH2+][C@@H](C)c1nc(cs1)[*:1]
CC(C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 CC(C)[*:1] C[C@H]([NH2+][*:1])c1nc(cs1)C(C)(C)C
O=C(COC1CCCC1)NNC(=O)c1ccc(F)cc1Br C1CCC(C1)[*:1] O=C(CO[*:1])NNC(=O)c1ccc(F)cc1Br
O=C(COC1CCCC1)NNC(=O)c1ccc(F)cc1Br C1CCC(C1)OC[*:1] O=C(NNC(=O)[*:1])c1ccc(F)cc1Br
O=C(COC1CCCC1)NNC(=O)c1ccc(F)cc1Br C1CCC(C1)O[*:1] O=C(C[*:1])NNC(=O)c1ccc(F)cc1Br
COc1ccccc1C1(C(=O)NCC[C@H](O)c2cccc3ccccc23)CC1 COc1ccccc1[*:1] O=C(NCC[C@H](O)c1cccc2ccccc12)C1(CC1)[*:1]
CCc1nc([C@@H](C)NC(=O)NNc2cccnn2)cs1 c1cnnc(c1)[*:1] CCc1nc(cs1)[C@@H](C)NC(=O)NN[*:1]
N#Cc1ccsc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 N#Cc1ccsc1[*:1] O=C(CN1C[C@H](Oc2ccccc21)C(=O)N1CCCCC1)N[*:1]
N#Cc1ccsc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 O=C(N1CCCCC1)[*:1] N#Cc1ccsc1NC(=O)CN1C[C@@H](Oc2ccccc21)[*:1]
CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 CC(=O)NCC[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 CC(=O)N[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)c1ccc(cc1)CC[*:1]
CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)S[*:1] CC(=O)NCCc1ccc(cc1)C(=O)[C@H](C)[*:1]
CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 CC(=O)NC[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(=O)NCCc1ccc(cc1)C(=O)[C@H](C)S[*:1]
CCOc1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
COc1ccc(CN2/C(=N\C(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC C1CO[C@@H](C1)[*:1] COc1ccc(cc1OC)CN1/C(=N\C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
C[S@@](=O)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] C[S@@](=O)c1ccc(cc1)C[NH2+]C[C@@H]1CCN(C1)[*:1]
C[S@@](=O)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 C[S@@](=O)[*:1] c1ccc(cc1)N1CC[C@@H](C[NH2+]Cc2ccc(cc2)[*:1])C1
OCCc1cn([C@H]2CCO[C@@]3(CCSC3)C2)nn1 OCC[*:1] c1c(nnn1[C@H]1CCO[C@@]2(CCSC2)C1)[*:1]
COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 COC(=O)[*:1] CN(c1ccccc1[*:1])S(=O)(=O)c1ccc(cc1)C(F)(F)F
Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccccc3)nc2c1 c1ccc(cc1)[*:1] Cc1ccc2cc(C#N)c(nc2c1)SCC(=O)NC[*:1]
Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccccc3)nc2c1 c1ccc(cc1)C[*:1] Cc1ccc2cc(C#N)c(nc2c1)SCC(=O)N[*:1]
Cc1ccc(C(=O)NCC(C)C)cc1N CC(C)[*:1] Cc1ccc(cc1N)C(=O)NC[*:1]
Cc1ccc(C(=O)NCC(C)C)cc1N CC(C)C[*:1] Cc1ccc(cc1N)C(=O)N[*:1]
COC(=O)C1(N(C)Cc2cccc3cn[nH]c23)CCCC1 COC(=O)[*:1] CN(Cc1cccc2cn[nH]c12)C1(CCCC1)[*:1]
C[C@H](NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)[*:1]
COc1ccc(-c2ccc(C(=O)NC(C)=O)o2)cc1N CC(=O)NC(=O)[*:1] COc1ccc(cc1N)-c1ccc(o1)[*:1]
CC[C@@]1(CO)CCCN(c2nc(-c3ccc(C)s3)ccc2C(=O)[O-])C1 Cc1ccc(s1)[*:1] CC[C@@]1(CO)CCCN(C1)c1nc(ccc1C(=O)[O-])[*:1]
CC[C@@]1(CO)CCCN(c2nc(-c3ccc(C)s3)ccc2C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@]1(CO)CCCN(C1)c1nc(ccc1[*:1])-c1ccc(C)s1
O=c1cc(CSc2nnnn2-c2ccc(Cl)cc2)c2c(ccc3ccccc32)o1 Clc1ccc(cc1)[*:1] O=c1cc(CSc2nnnn2[*:1])c2c(ccc3ccccc32)o1
C[C@H](Cc1cccs1)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 C1CC1[*:1] C[C@H](Cc1cccs1)NC(=O)c1ccc(cc1)-c1nc(no1)[*:1]
C[C@H](Cc1cccs1)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 C1CC1c1noc(n1)[*:1] C[C@H](Cc1cccs1)NC(=O)c1ccc(cc1)[*:1]
C[C@H](Cc1cccs1)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 C[C@H](Cc1cccs1)[*:1] O=C(N[*:1])c1ccc(cc1)-c1nc(no1)C1CC1
C[C@H](Cc1cccs1)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)c1ccc(cc1)-c1nc(no1)C1CC1
C[C@H](Cc1cccs1)NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 c1csc(c1)C[*:1] C[C@H](NC(=O)c1ccc(cc1)-c1nc(no1)C1CC1)[*:1]
CC/C(=C(/c1ccc(O)cc1)c1ccc(OCC[NH3+])cc1)c1ccccc1 Oc1ccc(cc1)[*:1] CC/C(=C(\c1ccc(cc1)OCC[NH3+])[*:1])c1ccccc1
CC/C(=C(/c1ccc(O)cc1)c1ccc(OCC[NH3+])cc1)c1ccccc1 c1ccc(cc1)[*:1] CCC(=C(c1ccc(O)cc1)c1ccc(cc1)OCC[NH3+])[*:1]
CC/C(=C(/c1ccc(O)cc1)c1ccc(OCC[NH3+])cc1)c1ccccc1 [NH3+]CCO[*:1] CC/C(=C(/c1ccc(O)cc1)c1ccc(cc1)[*:1])c1ccccc1
CC(C)[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 CC(C)[*:1] O=S(=O)(c1ccc(nc1)N1CC[NH+](CC1)[*:1])N1CCOCC1
CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 C1CC1[*:1] CCCC(=O)N1CC[C@H](C1)c1nc2CN(CCc2c(=O)[nH]1)C(=O)[*:1]
CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 CCC[*:1] O=C(C1CC1)N1CCc2c(C1)nc([nH]c2=O)[C@@H]1CCN(C1)C(=O)[*:1]
C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCCCC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1CC[NH+](CC1)C[*:1])C(=O)N1CCCCC1
C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@@H](NC(=O)CN1CC[NH+](CC1)Cc1ccccc1)[*:1]
C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCCCC1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)CN1CC[NH+](CC1)[*:1])C(=O)N1CCCCC1
CCC(=O)N[C@H](CCSC)C(=O)N(C)c1ccc2ccccc2c1 CSCC[*:1] CCC(=O)N[C@H](C(=O)N(C)c1ccc2ccccc2c1)[*:1]
CCC(=O)N[C@H](CCSC)C(=O)N(C)c1ccc2ccccc2c1 CCC(=O)N[*:1] CSCC[C@H](C(=O)N(C)c1ccc2ccccc2c1)[*:1]
CCC(=O)N[C@H](CCSC)C(=O)N(C)c1ccc2ccccc2c1 CSC[*:1] CCC(=O)N[C@H](C[*:1])C(=O)N(C)c1ccc2ccccc2c1
O=C(NOCc1cccnc1)C(=O)Nc1cnc(-c2ccccc2)s1 c1cncc(c1)[*:1] O=C(NOC[*:1])C(=O)Nc1cnc(s1)-c1ccccc1
O=C(NOCc1cccnc1)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(NOCc1cccnc1)C(=O)Nc1cnc(s1)[*:1]
O=C(NOCc1cccnc1)C(=O)Nc1cnc(-c2ccccc2)s1 c1cncc(c1)C[*:1] O=C(NO[*:1])C(=O)Nc1cnc(s1)-c1ccccc1
O=C(c1cccs1)N1CCC(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CC1 O=c1cc(nc2sccn12)[*:1] O=C(c1cccs1)N1CCC(CC1)C(=O)N1CCN(CC1)C[*:1]
O=C(c1cccs1)N1CCC(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CC1 c1csc(c1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2n1
CC(=O)Nc1c(C)cc(NC(=O)N(C)C[C@H]2CCCO2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)N(C)C[C@H]1CCCO1
CC(=O)Nc1c(C)cc(NC(=O)N(C)C[C@H]2CCCO2)cc1C C1CO[C@H](C1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N(C)C[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N(C)C[C@H]2CCCO2)cc1C C1CO[C@H](C1)C[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N(C)[*:1]
CC[C@H](C)[C@H]([NH3+])c1ncc(-c2ccc(C)c(F)c2)[nH]1 CC[C@H](C)[*:1] Cc1ccc(cc1F)-c1cnc([nH]1)[C@@H]([NH3+])[*:1]
CC[C@H](C)CS(=O)(=O)c1nnc(N2CCOCC2)s1 CC[C@H](C)C[*:1] O=S(=O)(c1nnc(s1)N1CCOCC1)[*:1]
CC[C@H](C)CS(=O)(=O)c1nnc(N2CCOCC2)s1 CC[C@H](C)[*:1] O=S(=O)(C[*:1])c1nnc(s1)N1CCOCC1
CC[C@H](C)CS(=O)(=O)c1nnc(N2CCOCC2)s1 C1CN(CCO1)[*:1] CC[C@H](C)CS(=O)(=O)c1nnc(s1)[*:1]
O=C(CN1CCN(c2ccc(F)cc2)C1=O)N1CCN(c2ccccc2Cl)CC1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])N1CCN(CC1)c1ccccc1Cl
O=C(CN1CCN(c2ccc(F)cc2)C1=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(CN1CCN(C1=O)c1ccc(F)cc1)N1CCN(CC1)[*:1]
C[C@@H](C(=O)N1CC[C@@H](C)c2ccccc21)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)N1CC[C@@H](C)c2ccccc21)[*:1]
C[C@@H](C(=O)c1cc(F)ccc1Br)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](C(=O)c1cc(F)ccc1Br)[*:1]
C[NH2+]Cc1cnn(CCOC)c1 COC[*:1] C[NH2+]Cc1cnn(c1)C[*:1]
C[NH2+]Cc1cnn(CCOC)c1 COCC[*:1] C[NH2+]Cc1cnn(c1)[*:1]
Cc1ccc(-c2n[nH]c(SCC(=O)Nc3c(C)cccc3C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CSc1nc(n[nH]1)[*:1]
Cc1ccc(-c2n[nH]c(SCC(=O)Nc3c(C)cccc3C)n2)cc1 Cc1cccc(C)c1[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)SCC(=O)N[*:1]
c1ccc(Cc2nc(CN3CCC[C@H](C[NH+]4CCCCCC4)C3)no2)cc1 c1ccc(cc1)C[*:1] C1CCC[NH+](CC1)C[C@H]1CCCN(Cc2noc(n2)[*:1])C1
c1ccc(Cc2nc(CN3CCC[C@H](C[NH+]4CCCCCC4)C3)no2)cc1 c1ccc(cc1)[*:1] C1CCC[NH+](CC1)C[C@H]1CCCN(Cc2noc(C[*:1])n2)C1
Cc1nc(C)c(C[S@](=O)Cc2ccccc2Oc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(C[S@](=O)Cc2ccccc2O[*:1])s1
Cc1nc(C)c(C[S@](=O)Cc2ccccc2Oc2ccccc2)s1 Cc1nc(C)c(s1)[*:1] O=[S@](Cc1ccccc1Oc1ccccc1)C[*:1]
Cc1nc(C)c(C[S@](=O)Cc2ccccc2Oc2ccccc2)s1 c1ccc(cc1)O[*:1] Cc1nc(C)c(C[S@](=O)Cc2ccccc2[*:1])s1
CC(C)CN(C)C(=O)N1CCC(C(=O)[O-])CC1 CC(C)[*:1] CN(C[*:1])C(=O)N1CCC(CC1)C(=O)[O-]
CC(C)CN(C)C(=O)N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] CC(C)CN(C)C(=O)N1CCC(CC1)[*:1]
CC(C)CN(C)C(=O)N1CCC(C(=O)[O-])CC1 CC(C)C[*:1] CN(C(=O)N1CCC(CC1)C(=O)[O-])[*:1]
CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCCOc3c2ccc2ccccc32)cn1 CC(C)[*:1] C[C@@H]([NH2+][C@@H]1CCCOc2c1ccc1ccccc21)c1cnn(c1)[*:1]
CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCCOc3c2ccc2ccccc32)cn1 CC(C)n1cc(cn1)[*:1] C[C@@H]([NH2+][C@@H]1CCCOc2c1ccc1ccccc21)[*:1]
COc1cc(Cl)c(NC(=O)c2ccoc2C)cc1OC Cc1occc1[*:1] COc1cc(Cl)c(cc1OC)NC(=O)[*:1]
C[NH+](C)C1(CNC(=O)C[C@@H](c2ccccc2)c2ccccc2F)CCOCC1 Fc1ccccc1[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)C[C@@H](c1ccccc1)[*:1]
C[NH+](C)C1(CNC(=O)C[C@@H](c2ccccc2)c2ccccc2F)CCOCC1 c1ccc(cc1)[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)C[C@@H](c1ccccc1F)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)c1cn(CC(N)=O)nn1 c1cc(ccn1)[*:1] C[C@@H](N(C)C(=O)c1cn(CC(N)=O)nn1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)c1cn(CC(N)=O)nn1 NC(=O)[*:1] C[C@@H](c1ccncc1)N(C)C(=O)c1cn(C[*:1])nn1
C[C@@H](c1ccncc1)N(C)C(=O)c1cn(CC(N)=O)nn1 NC(=O)C[*:1] C[C@@H](c1ccncc1)N(C)C(=O)c1cn(nn1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 C[C@@H](CCc1ccccc1)[*:1] O=C(CC1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)N[*:1]
C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 c1ccc2[nH]c(cc2c1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(CC1)C(=O)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)CC1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)CC1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)CC1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C1C[C@@H](C)O[C@H](C)C1 CC(C)C[*:1] Cc1nn(c(Cl)c1[C@@H]1CCCN1C(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C1C[C@@H](C)O[C@H](C)C1 CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1[C@@H]1CCCN1C(=O)C1C[C@@H](C)O[C@H](C)C1
COC(=O)c1cccc(CCNC(=O)N2CCCN(CC(F)(F)F)CC2)c1 COC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])N1CCCN(CC1)CC(F)(F)F
COC(=O)c1cccc(CCNC(=O)N2CCCN(CC(F)(F)F)CC2)c1 FC(F)(F)[*:1] COC(=O)c1cccc(c1)CCNC(=O)N1CCCN(CC1)C[*:1]
COC(=O)c1cccc(CCNC(=O)N2CCCN(CC(F)(F)F)CC2)c1 FC(F)(F)C[*:1] COC(=O)c1cccc(c1)CCNC(=O)N1CCCN(CC1)[*:1]
O=C1CCc2cc(C(=O)N3CC[NH+](Cc4ccco4)CC3)ccc2N1 c1coc(c1)C[*:1] O=C1CCc2cc(ccc2N1)C(=O)N1CC[NH+](CC1)[*:1]
O=C1CCc2cc(C(=O)N3CC[NH+](Cc4ccco4)CC3)ccc2N1 c1coc(c1)[*:1] O=C1CCc2cc(ccc2N1)C(=O)N1CC[NH+](CC1)C[*:1]
CC(C)(C)OC(=O)c1ccc(C(=O)NC2CCCC2)cc1 CC(C)(C)[*:1] O=C(NC1CCCC1)c1ccc(cc1)C(=O)O[*:1]
CC(C)(C)OC(=O)c1ccc(C(=O)NC2CCCC2)cc1 CC(C)(C)OC(=O)[*:1] O=C(NC1CCCC1)c1ccc(cc1)[*:1]
CC(C)(C)OC(=O)c1ccc(C(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] CC(C)(C)OC(=O)c1ccc(cc1)C(=O)N[*:1]
CCCN(CC1CC1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 CCC[*:1] O=C(N[C@H]1CCC[C@@H](C1)C(F)(F)F)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 C1CC1C[*:1] CCCN(C(=O)N[C@H]1CCC[C@@H](C1)C(F)(F)F)[*:1]
CCCN(CC1CC1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 C1CC1[*:1] CCCN(C[*:1])C(=O)N[C@H]1CCC[C@@H](C1)C(F)(F)F
CCCN(CC1CC1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CCCN(CC1CC1)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC(CC1)C(=O)[*:1]
COc1ccc(CC[C@@H](C)NC(=O)NNC(=O)c2cc(C)oc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C(=O)NNC(=O)N[C@H](C)CC[*:1])c(C)o1
COc1ccc(CC[C@@H](C)NC(=O)NNC(=O)c2cc(C)oc2C)cc1 Cc1cc(c(C)o1)[*:1] COc1ccc(cc1)CC[C@@H](C)NC(=O)NNC(=O)[*:1]
CC(C)c1ccccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 CC(C)c1ccccc1[*:1] O=C(NC(=S)N[*:1])C(c1ccccc1)c1ccccc1
CC(C)c1ccccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 CC(C)[*:1] O=C(NC(=S)Nc1ccccc1[*:1])C(c1ccccc1)c1ccccc1
CC(C)c1ccccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)c1ccccc1NC(=S)NC(=O)C(c1ccccc1)[*:1]
COc1cc(/C=C2\N=C(c3cc(Cl)cc([N+](=O)[O-])c3)OC2=O)ccc1OC(F)F FC(F)O[*:1] COc1cc(/C=C2\N=C(OC2=O)c2cc(Cl)cc(c2)[N+](=O)[O-])ccc1[*:1]
COc1cc(/C=C2\N=C(c3cc(Cl)cc([N+](=O)[O-])c3)OC2=O)ccc1OC(F)F FC(F)[*:1] COc1cc(/C=C2\N=C(OC2=O)c2cc(Cl)cc(c2)[N+](=O)[O-])ccc1O[*:1]
COc1cc(/C=C2\N=C(c3cc(Cl)cc([N+](=O)[O-])c3)OC2=O)ccc1OC(F)F O=[N+]([O-])[*:1] COc1cc(/C=C2\N=C(OC2=O)c2cc(Cl)cc(c2)[*:1])ccc1OC(F)F
C/C(=C\C(=O)N1CCC[C@H](N2CCNC2=O)C1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)N1CCC[C@@H](C1)N1CCNC1=O)[*:1]
C/C(=C\C(=O)N1CCC[C@H](N2CCNC2=O)C1)C(C)(C)C O=C1NCCN1[*:1] C/C(=C\C(=O)N1CCC[C@H](C1)[*:1])C(C)(C)C
C/C(=C\C(=O)N1CCC[C@H](N2CCNC2=O)C1)C(C)(C)C CC(=C[*:1])C(C)(C)C O=C1NCCN1[C@H]1CCCN(C1)C(=O)[*:1]
C[C@H]1CC[C@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)O1 CC(C)(C)[*:1] C[C@H]1CC[C@@H](O1)C(=O)Nc1cc(sc1C#N)[*:1]
CC(C)(NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)(NS(=O)(=O)c1ccc2C(=O)NC(=O)c2c1)[*:1]
N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccon3)CC2)cc1Cl c1cc(no1)[*:1] N#Cc1ccc(cc1Cl)NC(=O)CN1CC[NH+](CC1)C[*:1]
COc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H](C)c2ncc(C)s2)cc1 Cc1cnc(s1)[*:1] COc1ccc(cc1)[C@@H]1CCCCCN1C(=O)N[C@@H](C)[*:1]
COc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H](C)c2ncc(C)s2)cc1 COc1ccc(cc1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)N1CCCCC[C@H]1[*:1]
CC[C@H](CNC(=O)c1ccc(/C=N/OC)cc1)c1ccccc1 CON=C[*:1] CC[C@H](CNC(=O)c1ccc(cc1)[*:1])c1ccccc1
CC[C@H](CNC(=O)c1ccc(/C=N/OC)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CNC(=O)c1ccc(/C=N/OC)cc1)[*:1]
CCN(C(=O)c1cc2ccccc2n1CCOC)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)c1cc2ccccc2n1CCOC)[*:1]
CCN(C(=O)c1cc2ccccc2n1CCOC)c1ccccc1C COCC[*:1] CCN(C(=O)c1cc2ccccc2n1[*:1])c1ccccc1C
CCN(C(=O)c1cc2ccccc2n1CCOC)c1ccccc1C COC[*:1] CCN(C(=O)c1cc2ccccc2n1C[*:1])c1ccccc1C
CC[NH2+][C@H](C=C(C)C)Cc1ccccc1C CC(C)=C[*:1] CC[NH2+][C@H](Cc1ccccc1C)[*:1]
Cc1ccc(S(N)(=O)=O)cc1-c1nc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1-c1nc(nn1[*:1])C1CC1)S(N)(=O)=O
Cc1ccc(S(N)(=O)=O)cc1-c1nc(C2CC2)nn1-c1ccccc1 NS(=O)(=O)[*:1] Cc1ccc(cc1-c1nc(nn1-c1ccccc1)C1CC1)[*:1]
Cc1ccc(S(N)(=O)=O)cc1-c1nc(C2CC2)nn1-c1ccccc1 C1CC1[*:1] Cc1ccc(cc1-c1nc(nn1-c1ccccc1)[*:1])S(N)(=O)=O
CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2ccccc21 CC(C)S(=O)(=O)[*:1] CCn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2ccccc21
CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2ccccc21 CC(C)[*:1] CCn1/c(=N/C(=O)c2cccc(c2)S(=O)(=O)[*:1])sc2ccccc21
Cc1cc(C)cc(C[C@H](C)NC(=O)Cc2ccccc2O)c1 Oc1ccccc1[*:1] Cc1cc(C)cc(c1)C[C@H](C)NC(=O)C[*:1]
CS(=O)(=O)c1ccccc1NC(=O)c1ccc(N2CCCCCC2)nc1 CS(=O)(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(nc1)N1CCCCCC1
CS(=O)(=O)c1ccccc1NC(=O)c1ccc(N2CCCCCC2)nc1 C1CCCN(CC1)[*:1] CS(=O)(=O)c1ccccc1NC(=O)c1ccc(nc1)[*:1]
C[C@H]1CC(C(=O)NCC2(c3cccc(Br)c3)CC2)C[C@H](C)O1 Brc1cccc(c1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCC1(CC1)[*:1]
CC(C)(NC(=O)NC[C@]1(C)CCCO1)C(C)(C)C(=O)[O-] O=C([O-])[*:1] CC(C)(NC(=O)NC[C@]1(C)CCCO1)C(C)(C)[*:1]
CC(C)(NC(=O)NC[C@]1(C)CCCO1)C(C)(C)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] CC(C)(NC(=O)NC[C@]1(C)CCCO1)[*:1]
CC(C)(NC(=O)NC[C@]1(C)CCCO1)C(C)(C)C(=O)[O-] C[C@@]1(CCCO1)[*:1] CC(C)(NC(=O)NC[*:1])C(C)(C)C(=O)[O-]
CC(=O)NCCNC(=O)NCCC(=O)NC1CCCCC1 CC(=O)N[*:1] O=C(CCNC(=O)NCC[*:1])NC1CCCCC1
CC(=O)NCCNC(=O)NCCC(=O)NC1CCCCC1 CC(=O)NC[*:1] O=C(CCNC(=O)NC[*:1])NC1CCCCC1
CC(=O)NCCNC(=O)NCCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC(=O)NCCNC(=O)NCCC(=O)N[*:1]
CC(=O)NCCNC(=O)NCCC(=O)NC1CCCCC1 CC(=O)NCC[*:1] O=C(CCNC(=O)N[*:1])NC1CCCCC1
COc1cc(OC)cc([C@H]2CCN(C(=O)c3c(F)cccc3Cl)C2)c1 Fc1cccc(Cl)c1[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)C(=O)[*:1])OC
CC(C)[NH2+][C@]1(CO)CCC[C@H]([NH+]2CCCC2)C1 CC(C)[NH2+][*:1] OC[C@@]1(CCC[C@@H](C1)[NH+]1CCCC1)[*:1]
CC(C)[NH2+][C@]1(CO)CCC[C@H]([NH+]2CCCC2)C1 CC(C)[*:1] OC[C@]1(CCC[C@@H](C1)[NH+]1CCCC1)[NH2+][*:1]
N#Cc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 N#Cc1ccc(cc1)[*:1] O=C1CN(C(=O)COC(=O)[*:1])c2ccccc2N1
COc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc3nncn3c2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CN(S(=O)(=O)c1ccc2nncn2c1)[*:1]
COc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc3nncn3c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)N(C[*:1])S(=O)(=O)c1ccc2nncn2c1
COc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc3nncn3c2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1)N(S(=O)(=O)c1ccc2nncn2c1)[*:1]
C=C(C)CN(CC)c1ccc(F)cc1C(=O)[O-] O=C([O-])[*:1] C=C(C)CN(CC)c1ccc(F)cc1[*:1]
C=C(C)CN(CC)c1ccc(F)cc1C(=O)[O-] C=C(C)[*:1] CCN(C[*:1])c1ccc(F)cc1C(=O)[O-]
C=C(C)CN(CC)c1ccc(F)cc1C(=O)[O-] C=C(C)C[*:1] CCN(c1ccc(F)cc1C(=O)[O-])[*:1]
CCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 CCNC(=O)[*:1] C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)[*:1]
CCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 CCNC(=O)[C@H](C)[*:1] O=C(N[*:1])c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12
C[NH+](C)CCNC(=O)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[NH+](C)CCNC(=O)C1CCN(CC1)c1ccc(F)cc1[*:1]
CCN(CC)c1ccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 CCN(CC)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)c1ccc(cc1)[*:1]
CCN(CC)c1ccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] CCN(CC)c1ccc(cc1)C(=O)Nc1ccc(C)c(c1)[*:1]
C[C@H]1CCCN(C(=O)C2CCN(C(=O)C3CC3)CC2)C1 C1CC1[*:1] C[C@H]1CCCN(C1)C(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)CCC(=O)NNC(=O)CSc1nc2ccccc2o1 CC(C)C[*:1] O=C(CSc1nc2ccccc2o1)NNC(=O)C[*:1]
CC(C)CCC(=O)NNC(=O)CSc1nc2ccccc2o1 CC(C)[*:1] O=C(CC[*:1])NNC(=O)CSc1nc2ccccc2o1
CC(C)CCC(=O)NNC(=O)CSc1nc2ccccc2o1 CC(C)CC[*:1] O=C(CSc1nc2ccccc2o1)NNC(=O)[*:1]
CC(C)[C@H](NC(=O)N1CCC1(C)C)c1nnc2n1CCC2 CC(C)[*:1] CC1(C)CCN1C(=O)N[C@H](c1nnc2CCCn21)[*:1]
Cc1ccc(CNC(=O)N[C@H]2CCN(C)C2=O)c(N(C)C)c1 CN1CC[C@@H](C1=O)[*:1] Cc1ccc(CNC(=O)N[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)N[C@H]2CCN(C)C2=O)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)N[C@H]2CCN(C)C2=O)c(c1)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1CN1CCO[C@H]([C@@H]2CCCO2)C1 c1cncc(c1)O[*:1] Cc1nn(C)c(c1CN1CCO[C@@H](C1)[C@@H]1CCCO1)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1CN1CCO[C@H]([C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] Cc1nn(C)c(Oc2cccnc2)c1CN1CCO[C@H](C1)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1CN1CCO[C@H]([C@@H]2CCCO2)C1 c1cncc(c1)[*:1] Cc1nn(C)c(O[*:1])c1CN1CCO[C@@H](C1)[C@@H]1CCCO1
C=C1c2ccccc2NC(=O)N1C[C@H](c1c(F)cccc1Cl)[NH+](C)C Fc1cccc(Cl)c1[*:1] C=C1c2ccccc2NC(=O)N1C[C@H]([NH+](C)C)[*:1]
Cc1cc(N)n(-c2cc(NC[C@@H]3CC[C@H](C(=O)N(C)C)O3)ncn2)[nH+]1 CN(C)C(=O)[*:1] Cc1cc(N)n([nH+]1)-c1cc(ncn1)NC[C@@H]1CC[C@H](O1)[*:1]
C[NH2+]Cc1c(C)nn(Cc2nc(C(C)(C)C)cs2)c1C CC(C)(C)[*:1] C[NH2+]Cc1c(C)nn(Cc2nc(cs2)[*:1])c1C
COc1cc(OC)c(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)cc1Cl CC(C)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)C[*:1]
COc1cc(OC)c(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)cc1Cl CC(C)C[*:1] COc1cc(OC)c(cc1Cl)NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)[*:1]
Cc1cc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)c(C)s1 FC(F)[*:1] Cc1cc(c(C)s1)[C@H](C)[NH2+][C@H](C)c1nc2ccccc2n1[*:1]
Cc1cc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H]([NH2+][C@H](C)c1nc2ccccc2n1C(F)F)[*:1]
CN(Cc1nccs1)C(=O)NCc1ccc(OCC(F)(F)F)nc1 FC(F)(F)[*:1] CN(Cc1nccs1)C(=O)NCc1ccc(nc1)OC[*:1]
CN(Cc1nccs1)C(=O)NCc1ccc(OCC(F)(F)F)nc1 c1csc(C[*:1])n1 CN(C(=O)NCc1ccc(nc1)OCC(F)(F)F)[*:1]
CN(Cc1nccs1)C(=O)NCc1ccc(OCC(F)(F)F)nc1 FC(F)(F)C[*:1] CN(Cc1nccs1)C(=O)NCc1ccc(nc1)O[*:1]
CN(Cc1nccs1)C(=O)NCc1ccc(OCC(F)(F)F)nc1 FC(F)(F)CO[*:1] CN(Cc1nccs1)C(=O)NCc1ccc(nc1)[*:1]
CN(Cc1nccs1)C(=O)NCc1ccc(OCC(F)(F)F)nc1 c1csc(n1)[*:1] CN(C[*:1])C(=O)NCc1ccc(nc1)OCC(F)(F)F
CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[*:1]
CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 CC[C@H](C)[*:1] O=S1(=O)CC[C@H](C1)N(S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)[*:1]
CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC[C@H](C)N(S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)o2)cc1 Clc1ccc(nc1)[*:1] Cc1ccc(cc1)-c1nnc(CCC(=O)N2CCC[C@@H](C2)C(=O)N[*:1])o1
Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C1)C(=O)CCc1nnc(o1)[*:1]
Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)o2)cc1 O=C(Nc1ccc(Cl)cn1)[*:1] Cc1ccc(cc1)-c1nnc(CCC(=O)N2CCC[C@H](C2)[*:1])o1
CC(C)(CNC(=O)/C=C/C1CC1)Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)/C=C/C1CC1)C[*:1]
CC(C)(CNC(=O)/C=C/C1CC1)Cc1ccccc1 C(=C[*:1])C1CC1 CC(C)(CNC(=O)[*:1])Cc1ccccc1
CC(C)(CNC(=O)/C=C/C1CC1)Cc1ccccc1 C1CC1[*:1] CC(C)(CNC(=O)C=C[*:1])Cc1ccccc1
CCCCNC(=O)c1nnn(-c2ccc(C)cc2)c1-c1ccco1 CCCC[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N[*:1])c1-c1ccco1
CCCCNC(=O)c1nnn(-c2ccc(C)cc2)c1-c1ccco1 c1coc(c1)[*:1] CCCCNC(=O)c1nnn(-c2ccc(C)cc2)c1[*:1]
CCCCNC(=O)c1nnn(-c2ccc(C)cc2)c1-c1ccco1 CCC[*:1] Cc1ccc(cc1)-n1nnc(C(=O)NC[*:1])c1-c1ccco1
CCCCNC(=O)c1nnn(-c2ccc(C)cc2)c1-c1ccco1 Cc1ccc(cc1)[*:1] CCCCNC(=O)c1nnn(c1-c1ccco1)[*:1]
CCCCNC(=O)c1nnn(-c2ccc(C)cc2)c1-c1ccco1 CCCCNC(=O)[*:1] Cc1ccc(cc1)-n1nnc(c1-c1ccco1)[*:1]
CN(C/C(N)=N/O)Cc1nccs1 N/C(=N\O)[*:1] CN(Cc1nccs1)C[*:1]
CCc1nc(-c2cc(NC(=O)c3ccc(Cl)cc3)c(C)s2)no1 CCc1nc(no1)[*:1] Cc1sc(cc1NC(=O)c1ccc(Cl)cc1)[*:1]
CCc1nc(-c2cc(NC(=O)c3ccc(Cl)cc3)c(C)s2)no1 Clc1ccc(cc1)[*:1] CCc1nc(no1)-c1cc(NC(=O)[*:1])c(C)s1
COc1ccccc1-n1cnnc1SCc1cc(Cl)c2c(c1)OCCCO2 COc1ccccc1[*:1] Clc1cc(cc2OCCCOc12)CSc1nncn1[*:1]
O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 c1c(nc2SCCn12)[*:1] O=C(CCCn1nc(ccc1=O)-c1cccs1)Nc1ccc(cc1)[*:1]
O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 c1csc(c1)[*:1] O=C(CCCn1nc(ccc1=O)[*:1])Nc1ccc(cc1)-c1cn2CCSc2n1
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[*:1]
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cccc(Cl)c1 CC(C)(C)[*:1] O=C(NCc1cccc(Cl)c1)[C@H]1C[C@H](O)CN1C(=O)O[*:1]
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC[*:1]
Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(C(N)=O)cc1 c1ccc(cc1)[*:1] Cc1nc(ccc1C(=O)NCc1ccc(cc1)C(N)=O)[*:1]
Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1nc(ccc1C(=O)NCc1ccc(cc1)[*:1])-c1ccccc1
COC(=O)[C@@H](OC(=O)c1ccsc1)c1cc(Cl)cc(Cl)c1 c1cc(cs1)[*:1] COC(=O)[C@@H](OC(=O)[*:1])c1cc(Cl)cc(Cl)c1
COC(=O)[C@@H](OC(=O)c1ccsc1)c1cc(Cl)cc(Cl)c1 COC(=O)[*:1] O=C(O[C@@H](c1cc(Cl)cc(Cl)c1)[*:1])c1ccsc1
CC(C)(C)c1nc(CSc2ccc(N)cn2)cs1 CC(C)(C)[*:1] Nc1ccc(nc1)SCc1csc(n1)[*:1]
O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2)C1CCCCC1 C1CCC(CC1)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2OCOc2c1)[*:1]
O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2)C1CCCCC1 c1cc2OCOc2cc1[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1])C1CCCCC1
Cc1ccccc1CCNC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 Cc1ccccc1[*:1] C[C@H]1Oc2ccccc2N(CCC(=O)NCC[*:1])C1=O
Cc1ccccc1CCNC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 Cc1ccccc1C[*:1] C[C@H]1Oc2ccccc2N(CCC(=O)NC[*:1])C1=O
Cn1c(NCCOc2cccc(F)c2)c(C#N)c(=O)n(C)c1=O Fc1cccc(c1)[*:1] Cn1c(NCCO[*:1])c(C#N)c(=O)n(C)c1=O
NNC(=O)CN1CC[NH+](Cc2ccccc2Cl)CC1 NNC(=O)C[*:1] Clc1ccccc1C[NH+]1CCN(CC1)[*:1]
NNC(=O)CN1CC[NH+](Cc2ccccc2Cl)CC1 NNC(=O)[*:1] Clc1ccccc1C[NH+]1CCN(CC1)C[*:1]
CCc1ccccc1N1C[C@@H](C(=O)N(C)c2cccnc2N(C)C)CC1=O CCc1ccccc1[*:1] CN(C)c1ncccc1N(C)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CCc1ccccc1N1C[C@@H](C(=O)N(C)c2cccnc2N(C)C)CC1=O CN(C)c1ncccc1[*:1] CCc1ccccc1N1C[C@H](CC1=O)C(=O)N(C)[*:1]
CCc1ccccc1N1C[C@@H](C(=O)N(C)c2cccnc2N(C)C)CC1=O CN(C)[*:1] CCc1ccccc1N1C[C@H](CC1=O)C(=O)N(C)c1cccnc1[*:1]
C[C@H]1CCCN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)C1 ClC(Cl)=C[*:1] C[C@H]1CCCN(C1)C(=O)[C@@H]1[C@H](C1(C)C)[*:1]
CCC[NH+]1CCc2nc(NC#N)nc([O-])c2C1 N#CN[*:1] CCC[NH+]1CCc2nc(nc([O-])c2C1)[*:1]
CCC[NH+]1CCc2nc(NC#N)nc([O-])c2C1 CCC[*:1] N#CNc1nc([O-])c2C[NH+](CCc2n1)[*:1]
CC(=O)NCCNC(=O)NCc1cc(Br)ccc1F CC(=O)N[*:1] O=C(NCC[*:1])NCc1cc(Br)ccc1F
CC(=O)NCCNC(=O)NCc1cc(Br)ccc1F CC(=O)NC[*:1] O=C(NCc1cc(Br)ccc1F)NC[*:1]
CC(=O)NCCNC(=O)NCc1cc(Br)ccc1F CC(=O)NCC[*:1] O=C(NCc1cc(Br)ccc1F)N[*:1]
COc1ccccc1CSc1nnc(NC(C)=O)s1 CC(=O)N[*:1] COc1ccccc1CSc1nnc(s1)[*:1]
Cc1cccc(C)c1OCC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] Cc1cccc(C)c1OCC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CCNC(=O)CN1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 CCNC(=O)C[*:1] O=C(c1cccc(c1)-n1cccc1)N1CCN(CC1)[*:1]
CCNC(=O)CN1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 CCNC(=O)[*:1] O=C(c1cccc(c1)-n1cccc1)N1CCN(CC1)C[*:1]
CCNC(=O)CN1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 c1ccn(c1)[*:1] CCNC(=O)CN1CCN(CC1)C(=O)c1cccc(c1)[*:1]
Cc1cccc(C2=NO[C@@H](Cn3c(=O)[nH]c4cc5c(cc4c3=O)OCO5)N2)c1 Cc1cccc(c1)[*:1] O=c1[nH]c2cc3OCOc3cc2c(=O)n1C[C@H]1NC(=NO1)[*:1]
Cc1cccc(CN(CN2C(=O)NC3(CCOCC3)C2=O)C2CC2)c1 Cc1cccc(c1)[*:1] O=C1NC2(CCOCC2)C(=O)N1CN(C[*:1])C1CC1
Cc1cccc(CN(CN2C(=O)NC3(CCOCC3)C2=O)C2CC2)c1 Cc1cccc(c1)C[*:1] O=C1NC2(CCOCC2)C(=O)N1CN(C1CC1)[*:1]
Cc1cccc(CN(CN2C(=O)NC3(CCOCC3)C2=O)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(CN1C(=O)NC2(CCOCC2)C1=O)[*:1]
CC[NH+](CC)CC(=O)NCC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CC)CC(=O)NCC(=O)[*:1]
C#CCCN1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 C#CC[*:1] O=S(=O)(c1ccc(F)cc1Br)N1CCN(CC1)C[*:1]
C#CCCN1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 C#CCC[*:1] O=S(=O)(c1ccc(F)cc1Br)N1CCN(CC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)C(=O)Nc1ccc(F)cc1F c1ccc(cc1)[*:1] Cc1nn(c(C)c1N[C@H](C)C(=O)Nc1ccc(F)cc1F)[*:1]
Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)C(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)C(=O)N[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccn(CCCC(=O)N(C)C)n1 CN(C)C(=O)C[*:1] C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccn(CC[*:1])n1
C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccn(CCCC(=O)N(C)C)n1 CN(C)C(=O)[*:1] C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccn(CCC[*:1])n1
C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccn(CCCC(=O)N(C)C)n1 CN(C)C(=O)CCC[*:1] C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccn(n1)[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccn(CCCC(=O)N(C)C)n1 CN(C)C(=O)CC[*:1] C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccn(C[*:1])n1
C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccn(CCCC(=O)N(C)C)n1 C[C@@H](c1cccnc1)[*:1] CN(C)C(=O)CCCn1ccc(n1)NC(=O)N(C)[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccn(CCCC(=O)N(C)C)n1 c1cncc(c1)[*:1] C[C@@H](N(C)C(=O)Nc1ccn(CCCC(=O)N(C)C)n1)[*:1]
C[C@H](Cc1ccc(O)cc1)NC(=O)NCCCc1nnc2n1CCCCC2 Oc1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)NCCCc1nnc2CCCCCn21
C[C@H](Cc1ccc(O)cc1)NC(=O)NCCCc1nnc2n1CCCCC2 Oc1ccc(cc1)C[*:1] C[C@H](NC(=O)NCCCc1nnc2CCCCCn21)[*:1]
CCC[C@@H]1C[C@@]1(O)c1cccc(Cl)c1Cl CCC[*:1] O[C@]1(C[C@H]1[*:1])c1cccc(Cl)c1Cl
C#CCCCC[NH2+][C@@H]1CCN(C2CC2)C1 C#CCC[*:1] C(C[*:1])[NH2+][C@@H]1CCN(C1)C1CC1
C#CCCCC[NH2+][C@@H]1CCN(C2CC2)C1 C1CC1[*:1] C#CCCCC[NH2+][C@@H]1CCN(C1)[*:1]
C#CCCCC[NH2+][C@@H]1CCN(C2CC2)C1 C#CCCC[*:1] C1CC1N1CC[C@H](C1)[NH2+]C[*:1]
C#CCCCC[NH2+][C@@H]1CCN(C2CC2)C1 C#CC[*:1] C(C[NH2+][C@@H]1CCN(C1)C1CC1)C[*:1]
CCN(Cc1ccccn1)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O c1ccc(nc1)[*:1] CCN(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)C[*:1]
CCN(Cc1ccccn1)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CCN(Cc1ccccn1)CN1C(=O)N[C@@H](C1=O)[*:1]
CCN(Cc1ccccn1)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O c1ccc(C[*:1])nc1 CCN(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)[*:1]
CCN(Cc1ccccn1)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CCN(Cc1ccccn1)CN1C(=O)N[C@@H](C[*:1])C1=O
C[NH+](C)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 CS(=O)(=O)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(c(F)c1)[*:1]
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)Nc1ccc(C)c(NC(C)=O)c1 CC(=O)N[*:1] CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)Nc1ccc(C)c(c1)[*:1]
COCC(=O)N(C)CC1CC[NH2+]CC1 COC[*:1] CN(CC1CC[NH2+]CC1)C(=O)[*:1]
C[C@@H](c1ccc(F)cc1)N1C[C@H](C(=O)[O-])CC1=O O=C([O-])[*:1] C[C@@H](c1ccc(F)cc1)N1C[C@H](CC1=O)[*:1]
Cc1sc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c(C#N)c1C Clc1cccc(c1)[*:1] Cc1sc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])c(C#N)c1C
O=C([O-])[C@H]1Cc2cc(Cl)ccc2O1 O=C([O-])[*:1] Clc1ccc2O[C@H](Cc2c1)[*:1]
C[C@@H](Cc1cccs1)C(=O)NCCc1csc(-c2ccccc2)n1 c1csc(c1)C[*:1] C[C@@H](C(=O)NCCc1csc(n1)-c1ccccc1)[*:1]
C[C@@H](Cc1cccs1)C(=O)NCCc1csc(-c2ccccc2)n1 c1csc(c1)[*:1] C[C@@H](C[*:1])C(=O)NCCc1csc(n1)-c1ccccc1
C[C@@H](Cc1cccs1)C(=O)NCCc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](Cc1cccs1)C(=O)NCCc1csc(n1)[*:1]
Oc1ccccc1/C=N\c1ccccc1-c1nc2ccccc2[nH]1 Oc1ccccc1[*:1] C(=Nc1ccccc1-c1nc2ccccc2[nH]1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Br)cc1)c1cc2ccccc2o1 Brc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1[*:1])c1cc2ccccc2o1
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Br)cc1)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(Br)cc2)N1Cc1ccco1
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Br)cc1)c1cc2ccccc2o1 c1coc(c1)C[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc(Br)cc1)[*:1])c1cc2ccccc2o1
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Br)cc1)c1cc2ccccc2o1 c1coc(c1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(Br)cc1)c1cc2ccccc2o1
CC[C@@H]([NH2+]Cc1cccc(-c2n[nH]c(C)n2)c1)c1ccc2c(c1)OCCO2 Cc1nc(n[nH]1)[*:1] CC[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1ccc2OCCOc2c1
Cc1oc(-c2ccsc2)nc1COc1ccc(C(N)=O)cc1 c1cc(cs1)[*:1] Cc1oc(nc1COc1ccc(cc1)C(N)=O)[*:1]
Cc1oc(-c2ccsc2)nc1COc1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1oc(nc1COc1ccc(cc1)[*:1])-c1ccsc1
CNC(=O)[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1 CNC(=O)[*:1] CN1CCO[C@@H](C1)C(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
CNC(=O)[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1 CN1CCO[C@@H](C1)[*:1] CNC(=O)[C@H](NC(=O)[*:1])c1ccc(F)c(F)c1
CC(C)CCOc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 CC(C)CC[*:1] O=C(Nc1cccc(c1)O[*:1])N1CC[C@H](C1)[NH+]1CCCC1
CC(C)CCOc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)OCC[*:1])N1CC[C@H](C1)[NH+]1CCCC1
CC(C)CCOc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 CC(C)C[*:1] O=C(Nc1cccc(c1)OC[*:1])N1CC[C@H](C1)[NH+]1CCCC1
CC(C)CCOc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 CC(C)CCO[*:1] O=C(Nc1cccc(c1)[*:1])N1CC[C@H](C1)[NH+]1CCCC1
CC[C@@H](C)Nc1ncnc2c1oc1ccccc12 CC[C@@H](C)N[*:1] c1ccc2c(c1)oc1c(ncnc12)[*:1]
CC[C@@H](C)Nc1ncnc2c1oc1ccccc12 CC[C@@H](C)[*:1] c1ccc2c(c1)oc1c(ncnc12)N[*:1]
CN(CCC(F)(F)F)C(=O)c1cccn1CC(=O)[O-] FC(F)(F)CC[*:1] CN(C(=O)c1cccn1CC(=O)[O-])[*:1]
CN(CCC(F)(F)F)C(=O)c1cccn1CC(=O)[O-] FC(F)(F)C[*:1] CN(C[*:1])C(=O)c1cccn1CC(=O)[O-]
CN(CCC(F)(F)F)C(=O)c1cccn1CC(=O)[O-] FC(F)(F)[*:1] CN(CC[*:1])C(=O)c1cccn1CC(=O)[O-]
CN(CCC(F)(F)F)C(=O)c1cccn1CC(=O)[O-] O=C([O-])C[*:1] CN(CCC(F)(F)F)C(=O)c1cccn1[*:1]
CN(CCC(F)(F)F)C(=O)c1cccn1CC(=O)[O-] O=C([O-])[*:1] CN(CCC(F)(F)F)C(=O)c1cccn1C[*:1]
CCN(C)c1cccc(Nc2cncc(C(N)=O)n2)c1 CCN(C)[*:1] NC(=O)c1cncc(n1)Nc1cccc(c1)[*:1]
CCN(C)c1cccc(Nc2cncc(C(N)=O)n2)c1 NC(=O)[*:1] CCN(C)c1cccc(c1)Nc1cncc(n1)[*:1]
O=C(COc1ccc(F)cc1Cl)Nc1nccs1 c1csc(n1)[*:1] O=C(COc1ccc(F)cc1Cl)N[*:1]
C[C@H](c1ccccc1)[S@](=O)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](c1ccccc1)[S@](=O)Cc1coc(n1)[*:1]
C[C@H](c1ccccc1)[S@](=O)Cc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H]([S@](=O)Cc1coc(n1)-c1ccccc1)[*:1]
Cc1cccc(C[NH2+]C2CC2)c1C C1CC1[*:1] Cc1cccc(C[NH2+][*:1])c1C
CCCCC(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 CCCC[*:1] N#C[C@@H](C(=O)[*:1])c1nc2sc3CCCCc3c2c(=O)[nH]1
CCCCC(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 CCC[*:1] N#C[C@@H](C(=O)C[*:1])c1nc2sc3CCCCc3c2c(=O)[nH]1
CCCCC(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 CCCCC(=O)[*:1] N#C[C@H](c1nc2sc3CCCCc3c2c(=O)[nH]1)[*:1]
COc1ccc([C@H]([NH3+])c2n[nH]c(C)n2)cc1OC Cc1nc(n[nH]1)[*:1] COc1ccc(cc1OC)[C@H]([NH3+])[*:1]
CCOc1ccc(Nc2nc(N)nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)n2)cc1 CCO[*:1] C[C@@H]1C[C@@H](C)C[NH+](Cc2nc(N)nc(n2)Nc2ccc(cc2)[*:1])C1
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)Cc1ccccc1C Cc1ccccc1[*:1] COC(=O)[C@H]1CCCCC[C@H]1NC(=O)C[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)Cc1ccccc1C COC(=O)[*:1] Cc1ccccc1CC(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
CCOC(OCC)C(=O)c1cccc(C)c1C CCO[*:1] CCOC(C(=O)c1cccc(C)c1C)[*:1]
COC(=O)c1cncc(C(=O)NCCn2c(=O)[nH]c3ccccc32)c1 COC(=O)[*:1] O=C(NCCn1c(=O)[nH]c2ccccc21)c1cncc(c1)[*:1]
CCOC(=O)c1n[nH]c2c1C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O CCOC(=O)[*:1] O=C1c2[nH]nc(c2C(=O)N1c1cccc(c1)[N+](=O)[O-])[*:1]
CCOC(=O)c1n[nH]c2c1C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O O=[N+]([O-])[*:1] CCOC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1cccc(c1)[*:1]
CC[C@@H](NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1)c1nccs1 c1csc(n1)[*:1] CC[C@@H](NC(=O)N[C@H](C)c1cccc(c1)-n1cccn1)[*:1]
CC[C@@H](NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1)c1nccs1 c1cnn(c1)[*:1] CC[C@@H](NC(=O)N[C@H](C)c1cccc(c1)[*:1])c1nccs1
CC[C@@H](NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1)c1nccs1 CC[C@@H](c1nccs1)[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(c1)-n1cccn1
COCC[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] COCC[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C(=O)N[*:1]
COCC[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] COCC[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1[*:1]
COCC[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1 COCC[*:1] C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1)[*:1]
COCC[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1 COC[*:1] C[C@H](C[*:1])C(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1
O=C1CCCC[C@H]1Sc1nnc(C2CC2)n1-c1ccccc1 C1CC1[*:1] O=C1CCCC[C@H]1Sc1nnc(n1-c1ccccc1)[*:1]
O=C1CCCC[C@H]1Sc1nnc(C2CC2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCC[C@H]1Sc1nnc(C2CC2)n1[*:1]
O=C(CCc1nc2ccccc2o1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 c1ccc2oc(nc2c1)[*:1] O=C(CC[*:1])NCc1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(CCc1nc2ccccc2o1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(CCc1nc2ccccc2o1)NCc1ccc(cc1)[*:1]
O=C(CCc1nc2ccccc2o1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 c1ccc2oc(C[*:1])nc2c1 O=C(C[*:1])NCc1ccc(cc1)S(=O)(=O)N1CCOCC1
CC/C(C(=O)[O-])=C1\CCc2ccccc21 O=C([O-])[*:1] CCC(=C1CCc2ccccc21)[*:1]
Cc1ccc2sc(N(Cc3ccco3)C(=O)C3=COCCO3)nc2c1C c1coc(c1)C[*:1] Cc1ccc2sc(nc2c1C)N(C(=O)C1=COCCO1)[*:1]
Cc1ccc2sc(N(Cc3ccco3)C(=O)C3=COCCO3)nc2c1C c1coc(c1)[*:1] Cc1ccc2sc(nc2c1C)N(C[*:1])C(=O)C1=COCCO1
O=C(NCc1cccc(COC2CCCC2)c1)c1nn(-c2ccccc2)c2c1COC2 c1ccc(cc1)[*:1] O=C(NCc1cccc(c1)COC1CCCC1)c1nn(c2COCc12)[*:1]
O=C(NCc1cccc(COC2CCCC2)c1)c1nn(-c2ccccc2)c2c1COC2 C1CCC(C1)[*:1] O=C(NCc1cccc(c1)CO[*:1])c1nn(-c2ccccc2)c2COCc12
O=C(NCc1cccc(COC2CCCC2)c1)c1nn(-c2ccccc2)c2c1COC2 C1CCC(C1)O[*:1] O=C(NCc1cccc(c1)C[*:1])c1nn(-c2ccccc2)c2COCc12
O=C(NCc1cccc(COC2CCCC2)c1)c1nn(-c2ccccc2)c2c1COC2 C1CCC(C1)OC[*:1] O=C(NCc1cccc(c1)[*:1])c1nn(-c2ccccc2)c2COCc12
Cc1nc(-c2cc(C(=O)N(C)[C@H]3CCC[C@H]3S(C)(=O)=O)co2)cs1 CS(=O)(=O)[*:1] Cc1nc(cs1)-c1cc(co1)C(=O)N(C)[C@H]1CCC[C@@H]1[*:1]
Cc1nc(-c2cc(C(=O)N(C)[C@H]3CCC[C@H]3S(C)(=O)=O)co2)cs1 Cc1nc(cs1)[*:1] CN(C(=O)c1coc(c1)[*:1])[C@H]1CCC[C@H]1S(C)(=O)=O
Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc(c1)[*:1]
Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1 FC(F)(F)[*:1] Nc1cc(ccc1N1CCc2ccccc2C1)[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 CC(C)[*:1] C[C@H]1CCC[C@H](C1)OCc1cccc(c1)NC(=O)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 CC(C)[C@@H](CO)[*:1] C[C@H]1CCC[C@H](C1)OCc1cccc(c1)NC(=O)N[*:1]
CCC(=O)N1C(=O)OC[C@@H]1C(C)C CC(C)[*:1] CCC(=O)N1C(=O)OC[C@H]1[*:1]
O=C(Nc1ccccn1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccn1)c1cc(=O)c(co1)OC[*:1]
O=C(Nc1ccccn1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 c1ccc(nc1)[*:1] O=C(N[*:1])c1cc(=O)c(co1)OCc1ccc(Cl)cc1
O=C(Nc1ccccn1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 Clc1ccc(cc1)C[*:1] O=C(Nc1ccccn1)c1cc(=O)c(co1)O[*:1]
Cc1c(N(C)CC(=O)NC(C)C)cc(N)cc1S(N)(=O)=O CC(C)NC(=O)[*:1] Cc1c(cc(N)cc1S(N)(=O)=O)N(C)C[*:1]
Cc1c(N(C)CC(=O)NC(C)C)cc(N)cc1S(N)(=O)=O CC(C)NC(=O)C[*:1] Cc1c(cc(N)cc1S(N)(=O)=O)N(C)[*:1]
Cc1c(N(C)CC(=O)NC(C)C)cc(N)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1c(cc(N)cc1[*:1])N(C)CC(=O)NC(C)C
Cc1c(N(C)CC(=O)NC(C)C)cc(N)cc1S(N)(=O)=O CC(C)[*:1] Cc1c(cc(N)cc1S(N)(=O)=O)N(C)CC(=O)N[*:1]
CC[C@@H](CSC)NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 CSC[*:1] CC[C@@H](NC(=O)NCc1ccc(cc1)C(=O)N1CCCCC1)[*:1]
CC[C@@H](CSC)NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] CC[C@@H](CSC)NC(=O)NCc1ccc(cc1)[*:1]
COC1CCN(C(=O)c2ccc(-c3nc(C)n[nH]3)cc2)CC1 Cc1n[nH]c(n1)[*:1] COC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] CC[C@H](Nc1nnnn1[*:1])C(=O)NC[C@@H]1CCCO1
CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[*:1]
CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[*:1]
O=C(Cc1ccc(F)c(F)c1)Nc1cnn(CC(=O)NC2CCCC2)c1 Fc1ccc(cc1F)[*:1] O=C(C[*:1])Nc1cnn(c1)CC(=O)NC1CCCC1
O=C(Cc1ccc(F)c(F)c1)Nc1cnn(CC(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] O=C(Cc1ccc(F)c(F)c1)Nc1cnn(c1)CC(=O)N[*:1]
O=C(Cc1ccc(F)c(F)c1)Nc1cnn(CC(=O)NC2CCCC2)c1 O=C(NC1CCCC1)[*:1] O=C(Cc1ccc(F)c(F)c1)Nc1cnn(c1)C[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)c1ccc(Br)s1 CC(C)C[*:1] COC(=O)[C@H](NC(=O)[C@@H](C)c1ccc(Br)s1)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)c1ccc(Br)s1 Brc1ccc(s1)[*:1] COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)c1ccc(Br)s1 COC(=O)[*:1] CC(C)C[C@H](NC(=O)[C@@H](C)c1ccc(Br)s1)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)c1ccc(Br)s1 CC(C)[*:1] COC(=O)[C@H](C[*:1])NC(=O)[C@@H](C)c1ccc(Br)s1
CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 c1cc(ccn1)[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)NC(=O)C1CCN(CC1)S(C)(=O)=O)[*:1]
CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 CS(=O)(=O)N1CCC(CC1)[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)NC(=O)[*:1])-c1ccncc1
CC[C@H]1c2cccn2CCN1C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O Fc1ccccc1[*:1] CC[C@H]1c2cccn2CCN1C(=O)C[C@]1(CC(=O)N(C1=O)C1CCCC1)[*:1]
CC[C@H]1c2cccn2CCN1C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O C1CCC(C1)[*:1] CC[C@H]1c2cccn2CCN1C(=O)C[C@]1(CC(=O)N(C1=O)[*:1])c1ccccc1F
Cc1nn(CCNC(=O)[C@H](C(C)C)N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c(C)c1C Cc1nn(C[*:1])c(C)c1C CC(C)[C@@H](C(=O)NC[*:1])N1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C
Cc1nn(CCNC(=O)[C@H](C(C)C)N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c(C)c1C Cc1nn(CC[*:1])c(C)c1C CC(C)[C@@H](C(=O)N[*:1])N1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C
Cc1nn(CCNC(=O)[C@H](C(C)C)N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c(C)c1C Cc1nn(c(C)c1C)[*:1] CC(C)[C@@H](C(=O)NCC[*:1])N1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C
Cc1nn(CCNC(=O)[C@H](C(C)C)N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c(C)c1C CC(C)[*:1] Cc1nn(CCNC(=O)[C@H](N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)[*:1])c(C)c1C
Nc1nc(NCCO)cc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1 OCC[*:1] Nc1nc(cc(n1)N1CCC[C@@H](C1)c1nc2ccccc2[nH]1)N[*:1]
Nc1nc(NCCO)cc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1 OCCN[*:1] Nc1nc(cc(n1)[*:1])N1CCC[C@@H](C1)c1nc2ccccc2[nH]1
CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)C1 OCCC[*:1] CCNC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](c1ccccc1)[*:1]
CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)C1 CCNC(=O)[*:1] O=C(N[C@@H](CCCO)c1ccccc1)N1CCC[C@H](C1)[*:1]
CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)C1 c1ccc(cc1)[*:1] CCNC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](CCCO)[*:1]
CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)C1 OCC[*:1] CCNC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](C[*:1])c1ccccc1
CN(Cc1nccs1)C(=O)C(=O)Nc1ccc2c(c1)COC2 c1csc(C[*:1])n1 CN(C(=O)C(=O)Nc1ccc2COCc2c1)[*:1]
CN(Cc1nccs1)C(=O)C(=O)Nc1ccc2c(c1)COC2 c1csc(n1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2COCc2c1
Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1cccnc1-n1cccn1 c1cnn(c1)[*:1] Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1cccnc1[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@H](C)Cc2cccc(F)c2)C1 CCNS(=O)(=O)[*:1] C[C@H](CC(=O)N1CC[C@H](C1)[*:1])Cc1cccc(F)c1
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@H](C)Cc2cccc(F)c2)C1 Fc1cccc(c1)C[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)C[C@@H](C)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@H](C)Cc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)C[C@@H](C)C[*:1]
CCOC(=O)[C@H](C(=O)OC)[C@@H]1CCS(=O)(=O)C1 CCOC(=O)[*:1] COC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[*:1]
CCOC(=O)[C@H](C(=O)OC)[C@@H]1CCS(=O)(=O)C1 COC(=O)[*:1] CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1csc(C2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)n1 Cc1csc(n1)[*:1] c1cncc(c1)-c1cccc(c1)C[NH+]1CCC(CC1)[*:1]
Cc1csc(C2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)n1 c1cncc(c1)[*:1] Cc1csc(n1)C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)C(C)(C)C CCOC(=O)[*:1] C[C@@H](CNC(=O)C(C)(C)C)C[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)C(C)(C)C CC(C)(C)[*:1] CCOC(=O)C[C@@H](C)CNC(=O)[*:1]
Cc1n[nH]c(C(=O)Nc2cc(C(=O)[O-])[nH]n2)n1 O=C([O-])[*:1] Cc1n[nH]c(n1)C(=O)Nc1cc([nH]n1)[*:1]
C[C@@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nccs1 c1csc(n1)[*:1] C[C@@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)[*:1]
C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl C[C@H](c1ccccc1Cl)[*:1] O=C(N[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1
C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl Brc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1])c1ccccc1Cl
C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)[*:1]
COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCN1CCOCC1)CCCO2 C1CN(CCO1)CC[*:1] COc1ccc2OCCC[C@@H]([NH2+][C@H](C)[*:1])c2c1
COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCN1CCOCC1)CCCO2 C1CN(CCO1)C[*:1] COc1ccc2OCCC[C@@H]([NH2+][C@H](C)C[*:1])c2c1
COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCN1CCOCC1)CCCO2 C1CN(CCO1)[*:1] COc1ccc2OCCC[C@@H]([NH2+][C@H](C)CC[*:1])c2c1
CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1F CC[S@@](=O)[*:1] Fc1ccc(C[NH2+][C@H]2CCCC[C@@H]2[*:1])c(F)c1
CO[C@H]1CCC[C@@H](OC(=O)[C@@H](C)NC(C)=O)C1 CC(=O)N[*:1] CO[C@H]1CCC[C@H](C1)OC(=O)[C@@H](C)[*:1]
C[C@@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)c3ccccc3F)ccc2OCC1=O O=C(N[*:1])c1ccccc1F C[C@@H](c1ccc(F)cc1)N1Cc2cc(ccc2OCC1=O)[*:1]
C[C@@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)c3ccccc3F)ccc2OCC1=O Fc1ccc(cc1)[*:1] C[C@@H](N1Cc2cc(ccc2OCC1=O)NC(=O)c1ccccc1F)[*:1]
C[C@@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)c3ccccc3F)ccc2OCC1=O Fc1ccccc1[*:1] C[C@@H](c1ccc(F)cc1)N1Cc2cc(ccc2OCC1=O)NC(=O)[*:1]
O=C([O-])c1ccc(S(=O)(=O)Cc2cccs2)c(F)c1 c1csc(c1)C[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)[*:1]
O=C([O-])c1ccc(S(=O)(=O)Cc2cccs2)c(F)c1 O=C([O-])[*:1] O=S(=O)(Cc1cccs1)c1ccc(cc1F)[*:1]
O=C([O-])c1ccc(S(=O)(=O)Cc2cccs2)c(F)c1 c1csc(c1)[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)C[*:1]
O=C(c1ccc(Br)cc1)N1CCC(Nc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(Br)cc1)N1CCC(CC1)N[*:1]
O=C(c1ccc(Br)cc1)N1CCC(Nc2ccccc2)CC1 c1ccc(cc1)N[*:1] O=C(c1ccc(Br)cc1)N1CCC(CC1)[*:1]
O=C(c1ccc(Br)cc1)N1CCC(Nc2ccccc2)CC1 Brc1ccc(cc1)[*:1] O=C(N1CCC(CC1)Nc1ccccc1)[*:1]
C[C@H]1CN(C(=O)C(=O)NCC#N)C[C@H](C)O1 N#CC[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)C(=O)N[*:1]
C[C@H](NC(=O)Nc1cc(C(=O)N(C)C)ccc1F)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)Nc1cc(ccc1F)C(=O)N(C)C)[*:1]
C[C@H](NC(=O)Nc1cc(C(=O)N(C)C)ccc1F)c1cnn(C)c1 CN(C)C(=O)[*:1] C[C@H](NC(=O)Nc1cc(ccc1F)[*:1])c1cnn(C)c1
CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)[C@H](O)C2)cc1 CC(C)C[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)[C@H](O)C2)cc1 CC(C)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)Nc1ccc(cc1)NC(=O)C[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)[C@H](O)C2)cc1 CC(C)CC(=O)N[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)Nc1ccc(cc1)[*:1]
S=C(S)NC1c2ccccc2-c2ccccc21 S=C(S)N[*:1] c1ccc2c(c1)-c1ccccc1C2[*:1]
C=CCNC(=O)Nc1ccc(Cl)c(Br)c1 C=CC[*:1] O=C(Nc1ccc(Cl)c(Br)c1)N[*:1]
O=C(Cc1csc(Nc2ccccn2)n1)Nc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(Cc1csc(n1)Nc1ccccn1)Nc1ccc(cc1)[*:1]
O=C(Cc1csc(Nc2ccccn2)n1)Nc1ccc(-n2cnnn2)cc1 c1ccc(nc1)[*:1] O=C(Cc1csc(n1)N[*:1])Nc1ccc(cc1)-n1cnnn1
O=C(Cc1csc(Nc2ccccn2)n1)Nc1ccc(-n2cnnn2)cc1 c1ccc(nc1)N[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc(cc1)-n1cnnn1
CC(=O)Nc1ccc2c(CSc3nnc(CC4CCCC4)[nH]3)cc(=O)oc2c1 C1CCC(C1)C[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)CSc1nnc([nH]1)[*:1]
CC(=O)Nc1ccc2c(CSc3nnc(CC4CCCC4)[nH]3)cc(=O)oc2c1 C1CCC(C1)[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)CSc1nnc(C[*:1])[nH]1
CC(=O)Nc1ccc2c(CSc3nnc(CC4CCCC4)[nH]3)cc(=O)oc2c1 CC(=O)N[*:1] O=c1cc(CSc2nnc(CC3CCCC3)[nH]2)c2ccc(cc2o1)[*:1]
C1CCC([C@@H]2C[C@@H]2[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 C1CN(CCO1)CC[*:1] C1CCC(CC1)[C@@H]1C[C@@H]1[NH2+]C1CCN(CC1)[*:1]
C1CCC([C@@H]2C[C@@H]2[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 C1CN(CCO1)C[*:1] C1CCC(CC1)[C@@H]1C[C@@H]1[NH2+]C1CCN(CC1)C[*:1]
C1CCC([C@@H]2C[C@@H]2[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 C1CCC(CC1)[*:1] C1CN(CCO1)CCN1CCC(CC1)[NH2+][C@H]1C[C@H]1[*:1]
C1CCC([C@@H]2C[C@@H]2[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 C1CN(CCO1)[*:1] C1CCC(CC1)[C@@H]1C[C@@H]1[NH2+]C1CCN(CC1)CC[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)/C=C/c3c(C)nn(C)c3Cl)C2)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N1C[C@H](C[C@H]1C)[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)/C=C/c3c(C)nn(C)c3Cl)C2)cc1 Cc1nn(C)c(Cl)c1[*:1] COc1ccc(cc1)[C@H]1C[C@@H](C)N(C1)C(=O)C=C[*:1]
O=[N+]([O-])c1ccc2c([C@H](O)[C@@H]3CCC[NH2+]C3)c[nH]c2c1 O=[N+]([O-])[*:1] O[C@@H](c1c[nH]c2cc(ccc12)[*:1])[C@@H]1CCC[NH2+]C1
Cc1c([N+](=O)[O-])cc(C(=O)N(C[C@@H]2CCCCO2)C(C)C)cc1[N+](=O)[O-] CC(C)[*:1] Cc1c(cc(cc1[N+](=O)[O-])C(=O)N(C[C@@H]1CCCCO1)[*:1])[N+](=O)[O-]
Cc1c([N+](=O)[O-])cc(C(=O)N(C[C@@H]2CCCCO2)C(C)C)cc1[N+](=O)[O-] C1CC[C@@H](C[*:1])OC1 Cc1c(cc(cc1[N+](=O)[O-])C(=O)N(C(C)C)[*:1])[N+](=O)[O-]
Cc1c([N+](=O)[O-])cc(C(=O)N(C[C@@H]2CCCCO2)C(C)C)cc1[N+](=O)[O-] C1CC[C@H](OC1)[*:1] Cc1c(cc(cc1[N+](=O)[O-])C(=O)N(C[*:1])C(C)C)[N+](=O)[O-]
Cc1c([N+](=O)[O-])cc(C(=O)N(C[C@@H]2CCCCO2)C(C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[*:1])C(=O)N(C[C@@H]1CCCCO1)C(C)C)[N+](=O)[O-]
CCn1cc(C(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)cn1 CCn1cc(cn1)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ccccc1C(F)(F)F
CCn1cc(C(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)cn1 FC(F)(F)[*:1] CCn1cc(cn1)C(=O)Nc1cc(C)nn1-c1ccccc1[*:1]
COC(=O)c1cc(C)ccc1NC(=O)/C=C/SCc1ccco1 COC(=O)[*:1] Cc1ccc(NC(=O)/C=C/SCc2ccco2)c(c1)[*:1]
COC(=O)c1cc(C)ccc1NC(=O)/C=C/SCc1ccco1 c1coc(c1)CS[*:1] COC(=O)c1cc(C)ccc1NC(=O)C=C[*:1]
COC(=O)c1cc(C)ccc1NC(=O)/C=C/SCc1ccco1 c1coc(c1)[*:1] COC(=O)c1cc(C)ccc1NC(=O)/C=C/SC[*:1]
COC(=O)c1cc(C)ccc1NC(=O)/C=C/SCc1ccco1 c1coc(c1)C[*:1] COC(=O)c1cc(C)ccc1NC(=O)/C=C/S[*:1]
N[C@H](c1ccccc1C(F)(F)F)[C@H]1CSCCS1 FC(F)(F)[*:1] N[C@H](c1ccccc1[*:1])[C@H]1CSCCS1
CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccco1 c1coc(c1)[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)NC[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccco1 CCC[*:1] C[C@H]1CCCN(C(=O)NCc2ccco2)[C@@H]1[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccco1 c1coc(c1)C[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)N[*:1]
ClCc1nc2cc(Br)cnc2n1C[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] ClCc1nc2cc(Br)cnc2n1C[*:1]
Cc1nc(C2CC2)nc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1C#N C1CC1[*:1] Cc1nc(nc(SCC(=O)N[C@H](C)c2ccc3OCCOc3c2)c1C#N)[*:1]
CCc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 CCc1ccc(cc1)[*:1] C[C@]1(Cn2nc(cc2C(=O)N1C[*:1])-c1ccccc1)C(=O)NCc1ccccc1
CCc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)NCc1ccccc1)[*:1]
CCc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 O=C(NCc1ccccc1)[*:1] CCc1ccc(cc1)CN1C(=O)c2cc(nn2C[C@]1(C)[*:1])-c1ccccc1
CCc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 CCc1ccc(cc1)C[*:1] C[C@]1(Cn2nc(cc2C(=O)N1[*:1])-c1ccccc1)C(=O)NCc1ccccc1
CCc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCc1ccc(cc1)CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)N[*:1])-c1ccccc1
CCc1ccc(CN2C(=O)c3cc(-c4ccccc4)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)NC[*:1])-c1ccccc1
O=C(NCCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 c1ccc(cc1)CC[*:1] O=C(N[*:1])c1cccc(c1)-c1ccc(s1)S(=O)(=O)N1CCOCC1
O=C(NCCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1cccc(c1)-c1ccc(s1)S(=O)(=O)N1CCOCC1
O=C(NCCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1cccc(c1)-c1ccc(s1)S(=O)(=O)N1CCOCC1
O=C(NCCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCOCC3)s2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(NCCc1ccccc1)c1cccc(c1)-c1ccc(s1)[*:1]
CCn1nc(C)c(Cl)c1C[C@H]([NH3+])C(CC)(CC)N(C)C CN(C)[*:1] CCn1nc(C)c(Cl)c1C[C@H]([NH3+])C(CC)(CC)[*:1]
COC(=O)C[C@H](NC(=O)N[C@@H]1CCCCC1(C)C)C(=O)[O-] COC(=O)C[*:1] CC1(C)CCCC[C@H]1NC(=O)N[C@H](C(=O)[O-])[*:1]
COC(=O)C[C@H](NC(=O)N[C@@H]1CCCCC1(C)C)C(=O)[O-] COC(=O)[*:1] CC1(C)CCCC[C@H]1NC(=O)N[C@@H](C[*:1])C(=O)[O-]
COC(=O)C[C@H](NC(=O)N[C@@H]1CCCCC1(C)C)C(=O)[O-] O=C([O-])[*:1] COC(=O)C[C@H](NC(=O)N[C@@H]1CCCCC1(C)C)[*:1]
CNC(=O)c1ccc(NC[C@@H](C)Sc2ccccc2)c([N+](=O)[O-])c1 CNC(=O)[*:1] C[C@H](CNc1ccc(cc1[N+](=O)[O-])[*:1])Sc1ccccc1
CNC(=O)c1ccc(NC[C@@H](C)Sc2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(NC[C@@H](C)S[*:1])c(c1)[N+](=O)[O-]
CNC(=O)c1ccc(NC[C@@H](C)Sc2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(NC[C@@H](C)Sc2ccccc2)c(c1)[*:1]
CNC(=O)c1ccc(NC[C@@H](C)Sc2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)S[*:1] CNC(=O)c1ccc(NC[C@@H](C)[*:1])c(c1)[N+](=O)[O-]
CC[C@@H](Nc1ccc(C(=O)NC)n[nH+]1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](Nc1ccc(n[nH+]1)C(=O)NC)[*:1]
CC[C@@H](Nc1ccc(C(=O)NC)n[nH+]1)C(=O)[O-] CNC(=O)[*:1] CC[C@@H](Nc1ccc(n[nH+]1)[*:1])C(=O)[O-]
O=C(NCc1cccc2ccccc12)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1cccc2ccccc12)[C@@H](O)[*:1]
C[NH+](C)CCN1C[C@@H](C(=O)N2CC(Oc3ccccc3F)C2)CC1=O Fc1ccccc1[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)N1CC(C1)O[*:1]
C[NH+](C)CCN1C[C@@H](C(=O)N2CC(Oc3ccccc3F)C2)CC1=O Fc1ccccc1O[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)N1CC(C1)[*:1]
C[C@@]([NH2+]CCC1CC1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@]([NH2+]CCC1CC1)(C(F)(F)F)[*:1]
C[C@@]([NH2+]CCC1CC1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@]([NH2+]CCC1CC1)(C(=O)[O-])[*:1]
C[C@@]([NH2+]CCC1CC1)(C(=O)[O-])C(F)(F)F C1CC1C[*:1] C[C@@]([NH2+]C[*:1])(C(=O)[O-])C(F)(F)F
C[C@@]([NH2+]CCC1CC1)(C(=O)[O-])C(F)(F)F C1CC1CC[*:1] C[C@@]([NH2+][*:1])(C(=O)[O-])C(F)(F)F
C[C@@]([NH2+]CCC1CC1)(C(=O)[O-])C(F)(F)F C1CC1[*:1] C[C@@]([NH2+]CC[*:1])(C(=O)[O-])C(F)(F)F
C[C@@](NC(=O)CS(C)(=O)=O)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@](NC(=O)CS(C)(=O)=O)(C(=O)[O-])[*:1]
C[C@@](NC(=O)CS(C)(=O)=O)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@](NC(=O)CS(C)(=O)=O)(C(F)(F)F)[*:1]
C[C@@](NC(=O)CS(C)(=O)=O)(C(=O)[O-])C(F)(F)F CS(=O)(=O)C[*:1] C[C@@](NC(=O)[*:1])(C(=O)[O-])C(F)(F)F
C[C@@](NC(=O)CS(C)(=O)=O)(C(=O)[O-])C(F)(F)F CS(=O)(=O)[*:1] C[C@@](NC(=O)C[*:1])(C(=O)[O-])C(F)(F)F
CC(C)c1nc(C2(NC(=O)CCCn3ccnn3)CCCC2)no1 CC(C)c1nc(no1)[*:1] O=C(CCCn1ccnn1)NC1(CCCC1)[*:1]
CC(C)c1nc(C2(NC(=O)CCCn3ccnn3)CCCC2)no1 c1cn(CC[*:1])nn1 CC(C)c1nc(no1)C1(CCCC1)NC(=O)C[*:1]
CC(C)c1nc(C2(NC(=O)CCCn3ccnn3)CCCC2)no1 c1cn(nn1)[*:1] CC(C)c1nc(no1)C1(CCCC1)NC(=O)CCC[*:1]
CC(C)c1nc(C2(NC(=O)CCCn3ccnn3)CCCC2)no1 c1cn(C[*:1])nn1 CC(C)c1nc(no1)C1(CCCC1)NC(=O)CC[*:1]
CC(C)c1nc(C2(NC(=O)CCCn3ccnn3)CCCC2)no1 CC(C)[*:1] O=C(CCCn1ccnn1)NC1(CCCC1)c1noc(n1)[*:1]
CC(C)c1nc(C2(NC(=O)CCCn3ccnn3)CCCC2)no1 c1cn(CCC[*:1])nn1 CC(C)c1nc(no1)C1(CCCC1)NC(=O)[*:1]
C[NH+](C)C1(CNc2ncccc2C(F)(F)F)CCOCC1 FC(F)(F)[*:1] C[NH+](C)C1(CCOCC1)CNc1ncccc1[*:1]
C[C@H](O)c1ccn(CC[C@@H]2CCCO2)c1 C[C@H](O)[*:1] c1cn(cc1[*:1])CC[C@@H]1CCCO1
C[C@H](O)c1ccn(CC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] C[C@H](O)c1ccn(c1)CC[*:1]
CCOc1ccc2nc(N3CCC(C(=O)NC4CCCC4)CC3)sc2c1 CCO[*:1] O=C(NC1CCCC1)C1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(N3CCC(C(=O)NC4CCCC4)CC3)sc2c1 O=C(NC1CCCC1)[*:1] CCOc1ccc2nc(sc2c1)N1CCC(CC1)[*:1]
CCOc1ccc2nc(N3CCC(C(=O)NC4CCCC4)CC3)sc2c1 C1CCC(C1)[*:1] CCOc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N[*:1]
Fc1cccc(OCC[NH2+]Cc2cc[nH]c2)c1 c1cc(c[nH]1)[*:1] Fc1cccc(c1)OCC[NH2+]C[*:1]
C[C@H](CNc1nc(-c2ccncc2)nc2c1CCC2)N1CC[NH+](C)CC1 c1cc(ccn1)[*:1] C[C@H](CNc1nc(nc2CCCc21)[*:1])N1CC[NH+](C)CC1
Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)Cn2nnc(n2)[*:1])n(n1)-c1ccccc1
Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)Cn2nnc(n2)-c2ccccc2)n(n1)[*:1]
O=C(NCc1cccnc1)c1cn(-c2ccccc2)c2ncccc12 c1cncc(c1)[*:1] O=C(NC[*:1])c1cn(-c2ccccc2)c2ncccc12
O=C(NCc1cccnc1)c1cn(-c2ccccc2)c2ncccc12 c1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1cn(c2ncccc12)[*:1]
O=C(NCc1cccnc1)c1cn(-c2ccccc2)c2ncccc12 c1cncc(c1)C[*:1] O=C(N[*:1])c1cn(-c2ccccc2)c2ncccc12
Cc1ccc(-c2nnco2)cc1NC(=O)c1csc2c1CCCC2 c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)c1csc2CCCCc12)[*:1]
Cc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCC(C)CC3)c3ccccc32)c1C CC1CCN(CC1)C(=O)[*:1] Cc1cccc(NC(=O)Cn2c(=O)cc(c3ccccc32)[*:1])c1C
Cc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCC(C)CC3)c3ccccc32)c1C Cc1cccc(c1C)[*:1] CC1CCN(CC1)C(=O)c1cc(=O)n(CC(=O)N[*:1])c2ccccc12
Cc1c(NCc2nccn2C(F)F)cccc1N1CCOC1=O O=C1OCCN1[*:1] Cc1c(cccc1[*:1])NCc1nccn1C(F)F
Cc1c(NCc2nccn2C(F)F)cccc1N1CCOC1=O FC(F)[*:1] Cc1c(cccc1N1CCOC1=O)NCc1nccn1[*:1]
CC(C)[C@H]([NH3+])Cc1nc([C@H]2CSCCS2)no1 CC(C)[*:1] [NH3+][C@H](Cc1nc(no1)[C@H]1CSCCS1)[*:1]
COc1ccc(-c2nc(NC(=O)c3cc(F)ccc3F)sc2C)cc1 Fc1ccc(F)c(c1)[*:1] COc1ccc(cc1)-c1nc(NC(=O)[*:1])sc1C
COc1ccc(-c2nc(NC(=O)c3cc(F)ccc3F)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1cc(F)ccc1F
FC(F)(F)c1ccc(NCc2ccc(OCc3cccnc3)cc2)nc1 c1cncc(c1)C[*:1] FC(F)(F)c1ccc(nc1)NCc1ccc(cc1)O[*:1]
FC(F)(F)c1ccc(NCc2ccc(OCc3cccnc3)cc2)nc1 c1cncc(c1)CO[*:1] FC(F)(F)c1ccc(nc1)NCc1ccc(cc1)[*:1]
FC(F)(F)c1ccc(NCc2ccc(OCc3cccnc3)cc2)nc1 c1cncc(c1)[*:1] FC(F)(F)c1ccc(nc1)NCc1ccc(cc1)OC[*:1]
FC(F)(F)c1ccc(NCc2ccc(OCc3cccnc3)cc2)nc1 FC(F)(F)[*:1] c1cncc(c1)COc1ccc(cc1)CNc1ccc(cn1)[*:1]
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC1 O=C(N1CCC1)[*:1] Cc1nn(-c2cccc(c2)C(F)(F)F)c(C)c1C[*:1]
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC1 O=C(C[*:1])N1CCC1 Cc1nn(-c2cccc(c2)C(F)(F)F)c(C)c1[*:1]
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC1 FC(F)(F)[*:1] Cc1nn(-c2cccc(c2)[*:1])c(C)c1CC(=O)N1CCC1
Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H](C(N)=O)O2)cc1F NC(=O)[*:1] Cc1ccc(cc1F)[C@@H](C)[NH2+]C[C@@H]1CC[C@H](O1)[*:1]
CCN(C[C@@H](C)C#N)C(=O)Nc1ccc2c(c1)CCO2 C[C@@H](C#N)C[*:1] CCN(C(=O)Nc1ccc2OCCc2c1)[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cc1cccs1 C[S@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)Cc1cccs1
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cc1cccs1 c1csc(c1)[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)C[*:1]
COC[C@H](NC(=O)Nc1c(C)ccn(C)c1=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)Nc1c(C)ccn(C)c1=O)[*:1]
COC[C@H](NC(=O)Nc1c(C)ccn(C)c1=O)c1ccc(F)c(F)c1 COC[*:1] Cc1ccn(C)c(=O)c1NC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
C[C@H]1CCN(C(=O)c2cccc(-n3ccnn3)c2)C[C@@H]1O c1cn(nn1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1cccc(c1)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCCCC2)cc1 C[C@@H](CO)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)C[NH+]1CCCCCCC1)[*:1]
CCCN1CCC2=NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=NC(=O)[C@@H]2C1 Cc1ccc(cc1Cl)[*:1] CCCN1CCC2=NC(=NC(=O)[C@@H]2C1)SCC(=O)N[*:1]
CCCN1CCC2=NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=NC(=O)[C@@H]2C1 CCC[*:1] Cc1ccc(cc1Cl)NC(=O)CSC1=NC(=O)[C@@H]2CN(CCC2=N1)[*:1]
CS(=O)(=O)c1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(F)cc3)nc12 CS(=O)(=O)[*:1] O=C(c1ccc(F)cc1)N(CCN1CCOCC1)c1nc2c(cccc2s1)[*:1]
CS(=O)(=O)c1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(F)cc3)nc12 C1CN(CCO1)C[*:1] CS(=O)(=O)c1cccc2sc(nc12)N(C[*:1])C(=O)c1ccc(F)cc1
CS(=O)(=O)c1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(F)cc3)nc12 Fc1ccc(cc1)[*:1] CS(=O)(=O)c1cccc2sc(nc12)N(CCN1CCOCC1)C(=O)[*:1]
CS(=O)(=O)c1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(F)cc3)nc12 C1CN(CCO1)[*:1] CS(=O)(=O)c1cccc2sc(nc12)N(CC[*:1])C(=O)c1ccc(F)cc1
CS(=O)(=O)c1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(F)cc3)nc12 C1CN(CCO1)CC[*:1] CS(=O)(=O)c1cccc2sc(nc12)N(C(=O)c1ccc(F)cc1)[*:1]
O=C([O-])c1cc(N2CC[NH2+]CC2)[nH+]c2ccccc12 O=C([O-])[*:1] c1ccc2c(cc([nH+]c2c1)N1CC[NH2+]CC1)[*:1]
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc(c1)[*:1]
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1[*:1]
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C1[C@@H]2ON([C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc(c1)C(F)(F)F)[*:1]
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 Oc1ccc(cc1)[*:1] O=C1[C@@H]2ON(c3ccccc3)[C@H]([C@H]2C(=O)N1c1cccc(c1)C(F)(F)F)[*:1]
Cn1c(SCC(=O)NC(=O)NC2CCCCC2)nnc1-c1ccco1 c1coc(c1)[*:1] Cn1c(nnc1[*:1])SCC(=O)NC(=O)NC1CCCCC1
Cn1c(SCC(=O)NC(=O)NC2CCCCC2)nnc1-c1ccco1 C1CCC(CC1)[*:1] Cn1c(nnc1-c1ccco1)SCC(=O)NC(=O)N[*:1]
CCN(CC)C(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 CCN(CC)C(=O)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)[C@@H]1CC=CC[C@H]1[*:1]
CCN(CC)C(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCN(CC)C(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(c1)[*:1]
Cn1cccc1C(=O)C(=O)Nc1ccc(Cl)cc1Cl Cn1cccc1[*:1] O=C(Nc1ccc(Cl)cc1Cl)C(=O)[*:1]
CCn1nc(NC(=O)COc2ccccc2)c2cc3cc(C)ccc3nc21 c1ccc(cc1)[*:1] CCn1nc(NC(=O)CO[*:1])c2cc3cc(C)ccc3nc21
CCn1nc(NC(=O)COc2ccccc2)c2cc3cc(C)ccc3nc21 c1ccc(cc1)OC[*:1] CCn1nc(NC(=O)[*:1])c2cc3cc(C)ccc3nc21
CCn1nc(NC(=O)COc2ccccc2)c2cc3cc(C)ccc3nc21 c1ccc(cc1)O[*:1] CCn1nc(NC(=O)C[*:1])c2cc3cc(C)ccc3nc21
Cc1cccc(CC(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)c1 Cc1cccc(c1)[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)Nc1ccc(cc1Cl)NC(=O)C[*:1]
Cc1cccc(CC(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)c1 Cc1cc(C)n(n1)[*:1] Cc1cccc(c1)CC(=O)Nc1ccc(NC(=O)[C@H](C)[*:1])c(Cl)c1
Cc1cccc(CC(=O)Nc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)c1 Cc1cccc(c1)C[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)Nc1ccc(cc1Cl)NC(=O)[*:1]
CCOC(=O)c1nnc2ccccc2c1N1C[C@H](C)O[C@@H](C)C1 CCOC(=O)[*:1] C[C@H]1CN(C[C@H](C)O1)c1c(nnc2ccccc12)[*:1]
CCc1c(C)sc(N[C@](NC(C)=O)(C(=O)OC)C(F)(F)F)c1C#N CC(=O)N[*:1] CCc1c(C)sc(N[C@](C(=O)OC)(C(F)(F)F)[*:1])c1C#N
CCc1c(C)sc(N[C@](NC(C)=O)(C(=O)OC)C(F)(F)F)c1C#N COC(=O)[*:1] CCc1c(C)sc(N[C@](NC(C)=O)(C(F)(F)F)[*:1])c1C#N
CCc1c(C)sc(N[C@](NC(C)=O)(C(=O)OC)C(F)(F)F)c1C#N FC(F)(F)[*:1] CCc1c(C)sc(N[C@](NC(C)=O)(C(=O)OC)[*:1])c1C#N
COc1ccc([C@H](C)N(C)C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 FC(F)(F)C[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
COc1ccc([C@H](C)N(C)C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)N[C@@H](C[*:1])c1ccc(F)cc1
COc1ccc([C@H](C)N(C)C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)N[C@@H](CC(F)(F)F)[*:1]
COc1ccc([C@H](C)N(C)C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
C[C@H]1CN(C(=O)c2ccc(SCc3cccnc3)cc2)C[C@H](C)S1 c1cncc(c1)[*:1] C[C@H]1CN(C[C@H](C)S1)C(=O)c1ccc(cc1)SC[*:1]
C[C@H]1CN(C(=O)c2ccc(SCc3cccnc3)cc2)C[C@H](C)S1 c1cncc(c1)CS[*:1] C[C@H]1CN(C[C@H](C)S1)C(=O)c1ccc(cc1)[*:1]
C[C@H]1CN(C(=O)c2ccc(SCc3cccnc3)cc2)C[C@H](C)S1 c1cncc(c1)C[*:1] C[C@H]1CN(C[C@H](C)S1)C(=O)c1ccc(cc1)S[*:1]
COC(=O)c1ccc(NC(=O)CSc2ccc(-c3cccs3)nn2)cc1 c1csc(c1)[*:1] COC(=O)c1ccc(cc1)NC(=O)CSc1ccc(nn1)[*:1]
COC(=O)c1ccc(NC(=O)CSc2ccc(-c3cccs3)nn2)cc1 COC(=O)[*:1] O=C(CSc1ccc(nn1)-c1cccs1)Nc1ccc(cc1)[*:1]
CCc1ccccc1NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O CCc1ccccc1[*:1] O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N[*:1]
CCOc1cccc([C@H](C)NC(=O)N2c3ccccc3C[C@H]2C)c1 CCO[*:1] C[C@H](NC(=O)N1c2ccccc2C[C@H]1C)c1cccc(c1)[*:1]
O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 c1ccc(cc1)[*:1] O=C(c1cc([nH]n1)[*:1])N1CCC[C@H](C1)c1nc2ccccc2s1
O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] O=C(c1cc([nH]n1)-c1ccccc1)N1CCC[C@@H](C1)[*:1]
C#CCN1C(=O)N=C(N)[C@H]1C1CCCCCC1 C#CC[*:1] NC1=NC(=O)N([C@@H]1C1CCCCCC1)[*:1]
O=C(CO)N1CCN(C[C@@H](O)COc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(CO)N1CCN(CC1)C[C@@H](O)C[*:1]
O=C(CO)N1CCN(C[C@@H](O)COc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CO)N1CCN(CC1)C[C@@H](O)CO[*:1]
CC(C)CSCC[C@H]1CCC[C@@]1(C#N)NC1CC1 CC(C)[*:1] N#C[C@]1(CCC[C@@H]1CCSC[*:1])NC1CC1
CC(C)CSCC[C@H]1CCC[C@@]1(C#N)NC1CC1 C1CC1N[*:1] CC(C)CSCC[C@H]1CCC[C@]1(C#N)[*:1]
CC(C)CSCC[C@H]1CCC[C@@]1(C#N)NC1CC1 CC(C)CS[*:1] N#C[C@]1(CCC[C@@H]1CC[*:1])NC1CC1
CC(C)CSCC[C@H]1CCC[C@@]1(C#N)NC1CC1 CC(C)C[*:1] N#C[C@]1(CCC[C@@H]1CCS[*:1])NC1CC1
CC(C)CSCC[C@H]1CCC[C@@]1(C#N)NC1CC1 CC(C)CSC[*:1] N#C[C@]1(CCC[C@@H]1C[*:1])NC1CC1
CC(C)CSCC[C@H]1CCC[C@@]1(C#N)NC1CC1 C1CC1[*:1] CC(C)CSCC[C@H]1CCC[C@@]1(C#N)N[*:1]
CC1(C)CCC[NH+](Cc2ccc(C(=O)[O-])cn2)C1 O=C([O-])[*:1] CC1(C)CCC[NH+](Cc2ccc(cn2)[*:1])C1
C[C@H](NC(=O)Nc1cnn(C(C)(C)C)c1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](NC(=O)Nc1cnn(c1)C(C)(C)C)c1cccc(c1)[*:1]
C[C@H](NC(=O)Nc1cnn(C(C)(C)C)c1)c1cccc(C(F)(F)F)c1 CC(C)(C)[*:1] C[C@H](NC(=O)Nc1cnn(c1)[*:1])c1cccc(c1)C(F)(F)F
Cc1cccc(Cn2nc(C)c(NC(=O)c3cnn4c(-c5cccs5)ccnc34)c2C)c1 c1csc(c1)[*:1] Cc1cccc(c1)Cn1nc(C)c(NC(=O)c2cnn3c(ccnc23)[*:1])c1C
Cc1cccc(Cn2nc(C)c(NC(=O)c3cnn4c(-c5cccs5)ccnc34)c2C)c1 Cc1cccc(c1)C[*:1] Cc1nn(c(C)c1NC(=O)c1cnn2c(ccnc12)-c1cccs1)[*:1]
Cc1cccc(Cn2nc(C)c(NC(=O)c3cnn4c(-c5cccs5)ccnc34)c2C)c1 Cc1cccc(c1)[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)c1cnn2c(ccnc12)-c1cccs1
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc2ccccc12 COc1ccc(Br)cc1[*:1] O=C(NN=C[*:1])C(=O)Nc1cccc2ccccc12
NC(=O)CCSc1ccccc1NC(=O)c1ccc(Br)cc1O NC(=O)CCS[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Br)cc1O
NC(=O)CCSc1ccccc1NC(=O)c1ccc(Br)cc1O NC(=O)C[*:1] O=C(Nc1ccccc1SC[*:1])c1ccc(Br)cc1O
NC(=O)CCSc1ccccc1NC(=O)c1ccc(Br)cc1O NC(=O)[*:1] O=C(Nc1ccccc1SCC[*:1])c1ccc(Br)cc1O
NC(=O)CCSc1ccccc1NC(=O)c1ccc(Br)cc1O NC(=O)CC[*:1] O=C(Nc1ccccc1S[*:1])c1ccc(Br)cc1O
Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)c2ccc([O-])nn2)CC1 c1ccc(nc1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)c1ccc([O-])nn1)[*:1]
COC[C@H]1CC[C@H](Cl)[C@@H]1C COC[*:1] C[C@H]1[C@@H](Cl)CC[C@@H]1[*:1]
CC[C@H]1CCC[C@@H](NC(=O)/C=C/C2CC2)C1 C(=C[*:1])C1CC1 CC[C@H]1CCC[C@H](C1)NC(=O)[*:1]
CC[C@H]1CCC[C@@H](NC(=O)/C=C/C2CC2)C1 C1CC1[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)C=C[*:1]
COCCn1cc[nH+]c1[C@H]1CCCN(Cc2[nH]cc(C)c(=O)c2C)C1 COCC[*:1] Cc1c[nH]c(CN2CCC[C@@H](C2)c2[nH+]ccn2[*:1])c(C)c1=O
COCCn1cc[nH+]c1[C@H]1CCCN(Cc2[nH]cc(C)c(=O)c2C)C1 COC[*:1] Cc1c[nH]c(CN2CCC[C@@H](C2)c2[nH+]ccn2C[*:1])c(C)c1=O
C[NH2+][C@@]1(C(=O)OC)CCC[C@@H](OCC2CCOCC2)C1 C1CC(CCO1)[*:1] C[NH2+][C@]1(CCC[C@H](C1)OC[*:1])C(=O)OC
C[NH2+][C@@]1(C(=O)OC)CCC[C@@H](OCC2CCOCC2)C1 COC(=O)[*:1] C[NH2+][C@]1(CCC[C@H](C1)OCC1CCOCC1)[*:1]
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1cnnn1C Cn1nncc1[*:1] Cc1nc(sc1[C@@H](C)N(C)C[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1cnnn1C c1ccc(cc1)[*:1] Cc1nc(sc1[C@@H](C)N(C)Cc1cnnn1C)[*:1]
C[C@H]1CCc2sc(C(=O)N3CCN([C@H](C)C(N)=O)CC3)cc2C1 C[C@H](C(N)=O)[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)N1CCN(CC1)[*:1]
C[C@H]1CCc2sc(C(=O)N3CCN([C@H](C)C(N)=O)CC3)cc2C1 NC(=O)[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)N1CCN(CC1)[C@H](C)[*:1]
N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] N#CC1=C(N)N(C2C[C@@H](CC(=O)C=2[C@H]1[*:1])c1ccccc1)c1nc[nH]n1
N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 c1ccc(cc1)[*:1] N#CC1=C(N)N(C2C[C@H](CC(=O)C=2[C@@H]1c1cccc(Cl)c1)[*:1])c1nc[nH]n1
O[C@@H]1c2ccccc2CCC[C@H]1CCN1CCOCC1 C1CN(CCO1)[*:1] O[C@@H]1c2ccccc2CCC[C@H]1CC[*:1]
COc1ccc(C)cc1-c1csc(NC(=O)c2c(C)noc2C)n1 Cc1noc(C)c1[*:1] COc1ccc(C)cc1-c1csc(n1)NC(=O)[*:1]
Cc1sc(NC(=O)CCCN2C(=O)CCC2=O)nc1-c1ccc(Cl)cc1 O=C1CCC(=O)N1C[*:1] Cc1sc(nc1-c1ccc(Cl)cc1)NC(=O)CC[*:1]
Cc1sc(NC(=O)CCCN2C(=O)CCC2=O)nc1-c1ccc(Cl)cc1 O=C1CCC(=O)N1[*:1] Cc1sc(nc1-c1ccc(Cl)cc1)NC(=O)CCC[*:1]
Cc1sc(NC(=O)CCCN2C(=O)CCC2=O)nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)CCCN1C(=O)CCC1=O
C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)[*:1]
CCc1ccc(-c2noc3c(=O)n(CCC(=O)NCc4ccc(C)o4)cnc23)cc1 Cc1ccc(o1)[*:1] CCc1ccc(cc1)-c1noc2c(=O)n(cnc12)CCC(=O)NC[*:1]
CCc1ccc(-c2noc3c(=O)n(CCC(=O)NCc4ccc(C)o4)cnc23)cc1 Cc1ccc(C[*:1])o1 CCc1ccc(cc1)-c1noc2c(=O)n(cnc12)CCC(=O)N[*:1]
CCc1ccc(-c2noc3c(=O)n(CCC(=O)NCc4ccc(C)o4)cnc23)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(CNC(=O)CCn2cnc3c(noc3c2=O)[*:1])o1
CCc1ccc(-c2noc3c(=O)n(CCC(=O)NCc4ccc(C)o4)cnc23)cc1 Cc1ccc(CNC(=O)[*:1])o1 CCc1ccc(cc1)-c1noc2c(=O)n(cnc12)CC[*:1]
CC(C)CCOc1ccccc1C(=O)Nc1cccc(C#N)c1 CC(C)CCO[*:1] N#Cc1cccc(c1)NC(=O)c1ccccc1[*:1]
CC(C)CCOc1ccccc1C(=O)Nc1cccc(C#N)c1 CC(C)C[*:1] N#Cc1cccc(c1)NC(=O)c1ccccc1OC[*:1]
CC(C)CCOc1ccccc1C(=O)Nc1cccc(C#N)c1 CC(C)[*:1] N#Cc1cccc(c1)NC(=O)c1ccccc1OCC[*:1]
CC(C)CCOc1ccccc1C(=O)Nc1cccc(C#N)c1 CC(C)CC[*:1] N#Cc1cccc(c1)NC(=O)c1ccccc1O[*:1]
COc1ccc(Br)cc1/C=N/N1C(=S)[NH+]=N[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(Br)cc1/C=N/N1C(=S)[NH+]=N[C@H]1[*:1]
C[C@@H](OC(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)[C@@H](Oc1ccccc1)[*:1])c1ccccn1
C[C@@H](OC(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1ccccn1 c1ccc(cc1)O[*:1] C[C@@H](OC(=O)[C@@H](c1ccccc1)[*:1])c1ccccn1
C[C@@H](OC(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](OC(=O)[C@@H](Oc1ccccc1)c1ccccc1)[*:1]
C[C@@H](OC(=O)[C@@H](Oc1ccccc1)c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)[C@@H](O[*:1])c1ccccc1)c1ccccn1
Cc1cc(C)c2sc(N3CCN(C(=O)[C@H]4CCCN4S(=O)(=O)c4cccs4)CC3)nc2c1 c1csc(c1)[*:1] Cc1cc(C)c2sc(nc2c1)N1CCN(CC1)C(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 COc1cccc(OC)c1[*:1] O=C(c1ccccc1)N1CCN(CC1)c1ccccc1NC(=O)[*:1]
COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCN(CC1)C(=O)[*:1]
CC(=O)N1CCN(c2ccccc2CN2CCO[C@@](C)(c3ccccc3)C2)CC1 CC(=O)N1CCN(CC1)[*:1] C[C@@]1(CN(CCO1)Cc1ccccc1[*:1])c1ccccc1
CC(=O)N1CCN(c2ccccc2CN2CCO[C@@](C)(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)c1ccccc1CN1CCO[C@@](C)(C1)[*:1]
CCN(C[C@H]1COc2ccccc2O1)C(=O)CNC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] CCN(C[C@H]1COc2ccccc2O1)C(=O)CNC(=O)[*:1]
CCN(C[C@H]1COc2ccccc2O1)C(=O)CNC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CCN(C[C@H]1COc2ccccc2O1)C(=O)CNC(=O)C[*:1]
COc1cc(C2SCCS2)ccc1OCCCc1csc(C)n1 C1CSC(S1)[*:1] COc1cc(ccc1OCCCc1csc(C)n1)[*:1]
COc1cc(C2SCCS2)ccc1OCCCc1csc(C)n1 Cc1nc(cs1)C[*:1] COc1cc(ccc1OCC[*:1])C1SCCS1
COc1cc(C2SCCS2)ccc1OCCCc1csc(C)n1 Cc1nc(cs1)[*:1] COc1cc(ccc1OCCC[*:1])C1SCCS1
O=C(CN1CCCc2ccccc21)NNC(=O)c1cc(C2CC2)[nH]n1 c1c(n[nH]c1C1CC1)[*:1] O=C(CN1CCCc2ccccc21)NNC(=O)[*:1]
O=C(CN1CCCc2ccccc21)NNC(=O)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(CN1CCCc2ccccc21)NNC(=O)c1cc([nH]n1)[*:1]
CCc1ccc([C@H](CNC(=O)N2CCC[C@H](CCO)C2)[NH+](C)C)cc1 OCC[*:1] CCc1ccc(cc1)[C@H](CNC(=O)N1CCC[C@H](C1)[*:1])[NH+](C)C
CCc1ccc([C@H](CNC(=O)N2CCC[C@H](CCO)C2)[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](CCO)C1)[*:1]
C[C@H](CCO)CNC(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 OCC[*:1] C[C@@H](NC(=O)NC[C@@H](C)[*:1])c1ccc(s1)-c1ccc(Cl)cc1
C[C@H](CCO)CNC(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 C[C@H](CCO)[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(s1)-c1ccc(Cl)cc1
C[C@H](CCO)CNC(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] C[C@H](CCO)CNC(=O)N[C@H](C)c1ccc(s1)[*:1]
C[C@H](CCO)CNC(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 C[C@H](CCO)C[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(s1)-c1ccc(Cl)cc1
Cc1nc(-c2ccc(CC(=O)O[C@H](C#N)C(C)C)cc2)cs1 Cc1nc(cs1)[*:1] CC(C)[C@@H](C#N)OC(=O)Cc1ccc(cc1)[*:1]
Cc1nc(-c2ccc(CC(=O)O[C@H](C#N)C(C)C)cc2)cs1 CC(C)[*:1] Cc1nc(cs1)-c1ccc(cc1)CC(=O)O[C@H](C#N)[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cn(C[*:1])nc1-c1cccnc1
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cn(Cc2ccccc2)nc1[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 COC(=O)[*:1] O[C@@H]1C[C@H](N(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1)[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 c1ccc(cc1)C[*:1] COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cn(nc1-c1cccnc1)[*:1]
O=C1N(CCC2CCCCC2)CCC[C@]1(O)CN1CCC([NH+]2CCCC2)CC1 C1CCC(CC1)CC[*:1] O=C1N(CCC[C@]1(O)CN1CCC(CC1)[NH+]1CCCC1)[*:1]
O=C1N(CCC2CCCCC2)CCC[C@]1(O)CN1CCC([NH+]2CCCC2)CC1 C1CCC(CC1)[*:1] O=C1N(CCC[C@]1(O)CN1CCC(CC1)[NH+]1CCCC1)CC[*:1]
O=C1N(CCC2CCCCC2)CCC[C@]1(O)CN1CCC([NH+]2CCCC2)CC1 C1CCC(CC1)C[*:1] O=C1N(CCC[C@]1(O)CN1CCC(CC1)[NH+]1CCCC1)C[*:1]
NC(=O)[C@H](NC(=O)CCSc1ccccn1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](NC(=O)CCSc1ccccn1)[*:1]
NC(=O)[C@H](NC(=O)CCSc1ccccn1)c1ccccc1 c1ccc(nc1)[*:1] NC(=O)[C@H](NC(=O)CCS[*:1])c1ccccc1
NC(=O)[C@H](NC(=O)CCSc1ccccn1)c1ccccc1 NC(=O)[*:1] O=C(CCSc1ccccn1)N[C@H](c1ccccc1)[*:1]
NC(=O)[C@H](NC(=O)CCSc1ccccn1)c1ccccc1 c1ccc(nc1)S[*:1] NC(=O)[C@H](NC(=O)CC[*:1])c1ccccc1
Cc1cc(C)c2c(c1)OCC[C@H]2[NH2+]Cc1cccc(NC(=O)N(C)C)c1 CN(C)C(=O)N[*:1] Cc1cc(C)c2c(c1)OCC[C@H]2[NH2+]Cc1cccc(c1)[*:1]
Cc1ccccc1C1(O)CCN(C(=O)CCCOc2ccc3c(c2)OCO3)CC1 Cc1ccccc1[*:1] O=C(CCCOc1ccc2OCOc2c1)N1CCC(O)(CC1)[*:1]
Cc1ccccc1C1(O)CCN(C(=O)CCCOc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] Cc1ccccc1C1(O)CCN(CC1)C(=O)CCCO[*:1]
C[C@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1cccc(C(N)=O)c1 C1CCC(CC1)[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1cccc(c1)C(N)=O
C[C@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1cccc(C(N)=O)c1 NC(=O)[*:1] C[C@H](C(=O)NC1CCCCC1)[S@@](=O)Cc1cccc(c1)[*:1]
CCc1ccccc1CNC(=O)CNC(=O)CNC(C)=O CC(=O)N[*:1] CCc1ccccc1CNC(=O)CNC(=O)C[*:1]
CCc1ccccc1CNC(=O)CNC(=O)CNC(C)=O CC(=O)NC[*:1] CCc1ccccc1CNC(=O)CNC(=O)[*:1]
C#CCNC(=O)CCC(=O)N(CC)CC C#CC[*:1] CCN(CC)C(=O)CCC(=O)N[*:1]
CNc1nccc(-c2cc(C(=O)[O-])ccn2)n1 O=C([O-])[*:1] CNc1nccc(n1)-c1cc(ccn1)[*:1]
CC(C)[NH+]1CCC(C(=O)N(C)Cc2[nH+]ccn2C)CC1 CC(C)[*:1] CN(Cc1[nH+]ccn1C)C(=O)C1CC[NH+](CC1)[*:1]
C[C@](O)(CNS(=O)(=O)Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] C[C@](O)(CNS(=O)(=O)C[*:1])C1CC1
C[C@](O)(CNS(=O)(=O)Cc1ccccc1)C1CC1 C1CC1[*:1] C[C@](O)(CNS(=O)(=O)Cc1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1cccs1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)N[C@H](C)c1cccs1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1cccs1 c1csc(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1cccs1 C[C@H](c1cccs1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)N[*:1]
CCc1ccc(C[C@](C)([NH3+])Cc2ccccc2)nc1 c1ccc(cc1)[*:1] CCc1ccc(C[C@](C)([NH3+])C[*:1])nc1
CN(CC[NH+](C)C)C[C@@H]1CCC(C)(C)[C@@H]1[NH3+] C[NH+](C)CC[*:1] CN(C[C@@H]1CCC(C)(C)[C@@H]1[NH3+])[*:1]
Cc1ccc(C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)C[C@@H]1CCCN1C(=O)O[*:1]
O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1cccc(F)c1)N2c1cc(C(F)(F)F)ccc1Cl Fc1cccc(c1)[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N=C(SC[*:1])N2c1cc(ccc1Cl)C(F)(F)F
O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1cccc(F)c1)N2c1cc(C(F)(F)F)ccc1Cl Fc1cccc(c1)C[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N=C(S[*:1])N2c1cc(ccc1Cl)C(F)(F)F
O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1cccc(F)c1)N2c1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1cccc(F)c1)N2c1cc(ccc1Cl)[*:1]
C=CCn1c(SCc2ccccc2C)nnc1-c1cnccn1 c1cnc(cn1)[*:1] C=CCn1c(nnc1[*:1])SCc1ccccc1C
C=CCn1c(SCc2ccccc2C)nnc1-c1cnccn1 Cc1ccccc1[*:1] C=CCn1c(nnc1-c1cnccn1)SC[*:1]
C=CCn1c(SCc2ccccc2C)nnc1-c1cnccn1 C=CC[*:1] Cc1ccccc1CSc1nnc(-c2cnccn2)n1[*:1]
C[NH+]1CCN(c2ccccc2NC(=O)c2cc(Cl)sc2Cl)CC1 Clc1cc(c(Cl)s1)[*:1] C[NH+]1CCN(CC1)c1ccccc1NC(=O)[*:1]
COCCNC(=O)c1ccccc1NC(=O)c1cc(F)c(F)cc1Cl COC[*:1] O=C(Nc1ccccc1C(=O)NC[*:1])c1cc(F)c(F)cc1Cl
COCCNC(=O)c1ccccc1NC(=O)c1cc(F)c(F)cc1Cl COCC[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1cc(F)c(F)cc1Cl
COCCNC(=O)c1ccccc1NC(=O)c1cc(F)c(F)cc1Cl COCCNC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1cc(F)c(F)cc1Cl
Cc1c(N)cccc1SCc1cc(C(=O)[O-])no1 O=C([O-])[*:1] Cc1c(N)cccc1SCc1cc(no1)[*:1]
CC(C)CC(=O)NCC[C@@H](O)c1ccco1 CC(C)C[*:1] O=C(NCC[C@@H](O)c1ccco1)[*:1]
CC(C)CC(=O)NCC[C@@H](O)c1ccco1 c1coc(c1)[*:1] CC(C)CC(=O)NCC[C@@H](O)[*:1]
CC(C)CC(=O)NCC[C@@H](O)c1ccco1 CC(C)[*:1] O=C(C[*:1])NCC[C@@H](O)c1ccco1
CCCOC(=O)C1=NC2=C(C(=O)CC(C)(C)C2)[C@H]1C CCC[*:1] C[C@H]1C(=NC2CC(C)(C)CC(=O)C=21)C(=O)O[*:1]
COc1cc(C)c(CNc2cnn(C(C)C)c2)cc1OC CC(C)[*:1] COc1cc(C)c(cc1OC)CNc1cnn(c1)[*:1]
COc1ccc2c(ccn2CC(=O)NCCN2CCOCC2)c1 C1CN(CCO1)[*:1] COc1ccc2c(ccn2CC(=O)NCC[*:1])c1
COc1ccc2c(ccn2CC(=O)NCCN2CCOCC2)c1 C1CN(CCO1)C[*:1] COc1ccc2c(ccn2CC(=O)NC[*:1])c1
COc1ccc2c(c1)N(CC(=O)Nc1ccc(Cl)cc1C)CCO2 Cc1cc(Cl)ccc1[*:1] COc1ccc2OCCN(CC(=O)N[*:1])c2c1
CCOc1c(F)cccc1C(=O)NCCc1cc(F)cc(F)c1 CCO[*:1] O=C(NCCc1cc(F)cc(F)c1)c1cccc(F)c1[*:1]
O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1F)NC[*:1]
O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC[C@@H]1CCCO1 Fc1ccccc1[*:1] O=C(Cn1nc(ccc1=O)[*:1])NC[C@@H]1CCCO1
O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1F)N[*:1]
COC(=O)C(C)(C)C[NH2+]C12CC3CC(CC(C3)C1)C2 COC(=O)[*:1] CC(C)(C[NH2+]C12CC3CC(CC(C3)C1)C2)[*:1]
CCCNC(=O)CN(C)C(=O)[C@@H]1CC[NH2+][C@H]1C CCC[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(=O)N[*:1]
c1ccc2c(c1)N[C@H](n1nnc3ccccc31)[C@H](n1nnc3ccccc31)S2 c1ccc2c(c1)nnn2[*:1] c1ccc2S[C@@H]([C@H](Nc2c1)n1nnc2ccccc21)[*:1]
c1ccc2c(c1)N[C@H](n1nnc3ccccc31)[C@H](n1nnc3ccccc31)S2 c1ccc2c(c1)nnn2[*:1] c1ccc2S[C@H]([C@@H](Nc2c1)[*:1])n1nnc2ccccc21
CN1CCN(Cc2ccc(Cl)nc2)/C1=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-] ClC(Cl)=C(Cl)[*:1] CN1CCN(Cc2ccc(Cl)nc2)/C1=C(/[N+](=O)[O-])[*:1]
CN1CCN(Cc2ccc(Cl)nc2)/C1=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-] Clc1ccc(cn1)[*:1] CN1CCN(C[*:1])/C1=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-]
CN1CCN(Cc2ccc(Cl)nc2)/C1=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-] O=[N+]([O-])[*:1] CN1CCN(Cc2ccc(Cl)nc2)C1=C(C(Cl)=C(Cl)Cl)[*:1]
CCOc1ccc(C(=O)Nc2cc(N3CCCC3)ncn2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)Nc1cc(ncn1)N1CCCC1
CCOc1ccc(C(=O)Nc2cc(N3CCCC3)ncn2)cc1OCC C1CCN(C1)[*:1] CCOc1ccc(cc1OCC)C(=O)Nc1cc(ncn1)[*:1]
CCOc1ccc(C(=O)Nc2cc(N3CCCC3)ncn2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)Nc1cc(ncn1)N1CCCC1
CCOC[C@H]1CCCN(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)C1 c1ccc(cc1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)N[C@H]1C[C@H](C)N(C1)[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)C1 CCO[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)C1 CCOC[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)N1CCC[C@@H](C1)[*:1]
O=C(CSc1nnc(-c2cccnc2)o1)Nc1nc2ccc(Br)cc2s1 c1cncc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1nc2ccc(Br)cc2s1
Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(Cn3ccnc3C)c2)o1 Cc1nccn1[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH2+]Cc1cccc(c1)C[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(Cn3ccnc3C)c2)o1 Cc1nccn1C[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH2+]Cc1cccc(c1)[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(Cn3ccnc3C)c2)o1 Cc1ccc(o1)[*:1] Cc1nccn1Cc1cccc(c1)C[NH2+]Cc1c[nH]nc1[*:1]
CCC(=O)N1CCC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 Clc1ccccc1[*:1] CCC(=O)N1CCC[NH+](CC1)Cc1ccc(s1)[*:1]
C#Cc1cc(F)c(NC(=O)CCc2cc(Cl)cs2)c(F)c1 Clc1csc(c1)[*:1] C#Cc1cc(F)c(NC(=O)CC[*:1])c(F)c1
C#Cc1cc(F)c(NC(=O)CCc2cc(Cl)cs2)c(F)c1 Clc1csc(c1)C[*:1] C#Cc1cc(F)c(NC(=O)C[*:1])c(F)c1
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 Fc1ccc(cc1)[*:1] Cc1nc(C[*:1])sc1C(=O)N1CCC[C@H](C1)C(=O)N1CCOCC1
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 O=C(N1CCOCC1)[*:1] Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H](C1)[*:1]
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 Fc1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)N1CCC[C@H](C1)C(=O)N1CCOCC1)[*:1]
CCOC(=O)c1cc(N)c(Sc2nncn2N)c(Cl)c1 Nn1cnnc1[*:1] CCOC(=O)c1cc(N)c(S[*:1])c(Cl)c1
CCOC(=O)c1cc(N)c(Sc2nncn2N)c(Cl)c1 CCOC(=O)[*:1] Nc1cc(cc(Cl)c1Sc1nncn1N)[*:1]
CN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(cc1)[*:1]
CN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(C(F)(F)F)cc1 CC(C)(C)[*:1] CN(CC(=O)NC(=O)N[*:1])Cc1ccc(cc1)C(F)(F)F
O=C(Nc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl
O=C(Nc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ClC(Cl)=C(Cl)C[*:1] O=C(Nc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)O[*:1]
O=C(Nc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ClC(Cl)=C(Cl)[*:1] O=C(Nc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)OC[*:1]
Cc1ncccc1CN1C[C@@H](C)O[C@@H](C(N)=O)C1 NC(=O)[*:1] Cc1ncccc1CN1C[C@@H](C)O[C@@H](C1)[*:1]
C[C@@H]1CN(CCNC(=O)c2nc(N3CCCC3)ncc2Cl)C[C@@H](C)O1 C1CCN(C1)[*:1] C[C@@H]1CN(CCNC(=O)c2nc(ncc2Cl)[*:1])C[C@@H](C)O1
COc1cc(-c2ccc(C)s2)cc2c1OCCN(Cc1[nH]cc[nH+]1)C2 Cc1ccc(s1)[*:1] COc1cc(cc2CN(CCOc21)Cc1[nH]cc[nH+]1)[*:1]
CC(C)(C)c1ccc(COC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 CC(C)(C)[*:1] O=C(OCc1ccc(cc1)[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
Cc1cc(C)nc(Nc2nc(C(=O)NCc3ccccc3F)cs2)n1 Cc1cc(C)nc(n1)[*:1] O=C(NCc1ccccc1F)c1csc(n1)N[*:1]
Cc1cc(C)nc(Nc2nc(C(=O)NCc3ccccc3F)cs2)n1 Fc1ccccc1[*:1] Cc1cc(C)nc(n1)Nc1nc(cs1)C(=O)NC[*:1]
Cc1cc(C)nc(Nc2nc(C(=O)NCc3ccccc3F)cs2)n1 Fc1ccccc1C[*:1] Cc1cc(C)nc(n1)Nc1nc(cs1)C(=O)N[*:1]
O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)C1CCC1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1Cc2cccc(c2O1)[*:1])C1CCC1
O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)C1CCC1 C1CC(C1)[*:1] O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)[*:1]
O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)C1CCC1 O=C(N[*:1])C1CCC1 c1cnc(nc1)-c1cccc2C[C@@H](C[*:1])Oc21
Cc1ccc(-n2nc(C)c3c(C(=O)Nc4ccccc4F)cc(C4CC4)nc32)cc1 Cc1ccc(cc1)[*:1] Cc1nn(c2nc(cc(C(=O)Nc3ccccc3F)c12)C1CC1)[*:1]
Cc1ccc(-n2nc(C)c3c(C(=O)Nc4ccccc4F)cc(C4CC4)nc32)cc1 C1CC1[*:1] Cc1ccc(cc1)-n1nc(C)c2c(cc(nc21)[*:1])C(=O)Nc1ccccc1F
Cc1ccc(-n2nc(C)c3c(C(=O)Nc4ccccc4F)cc(C4CC4)nc32)cc1 O=C(Nc1ccccc1F)[*:1] Cc1ccc(cc1)-n1nc(C)c2c(cc(nc21)C1CC1)[*:1]
Cc1ccc(-n2nc(C)c3c(C(=O)Nc4ccccc4F)cc(C4CC4)nc32)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-n1nc(C)c2c(cc(nc21)C1CC1)C(=O)N[*:1]
CCc1cccc2c(C(=O)[C@H](Sc3nnc(C4CC4)n3C)c3ccccc3)c[nH]c12 Cn1c(nnc1[*:1])C1CC1 CCc1cccc2c(c[nH]c12)C(=O)[C@H](S[*:1])c1ccccc1
CCc1cccc2c(C(=O)[C@H](Sc3nnc(C4CC4)n3C)c3ccccc3)c[nH]c12 C1CC1[*:1] CCc1cccc2c(c[nH]c12)C(=O)[C@H](Sc1nnc(n1C)[*:1])c1ccccc1
CCc1cccc2c(C(=O)[C@H](Sc3nnc(C4CC4)n3C)c3ccccc3)c[nH]c12 c1ccc(cc1)[*:1] CCc1cccc2c(c[nH]c12)C(=O)[C@H](Sc1nnc(C2CC2)n1C)[*:1]
CCc1cccc2c(C(=O)[C@H](Sc3nnc(C4CC4)n3C)c3ccccc3)c[nH]c12 Cn1c(nnc1C1CC1)S[*:1] CCc1cccc2c(c[nH]c12)C(=O)[C@H](c1ccccc1)[*:1]
CCC[C@@H](NS(=O)(=O)c1cccnc1)C(=O)N1CCc2sccc2C1 CCC[*:1] O=C([C@H](NS(=O)(=O)c1cccnc1)[*:1])N1CCc2sccc2C1
CCC[C@@H](NS(=O)(=O)c1cccnc1)C(=O)N1CCc2sccc2C1 c1cncc(c1)[*:1] CCC[C@@H](NS(=O)(=O)[*:1])C(=O)N1CCc2sccc2C1
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1 O=C1CCS(=O)(=O)N1[*:1] CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2nnn(-c3ccccc3)n2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)c1nnn(n1)[*:1]
CNC(=O)NCC(=O)N(C)c1ccc(Br)c(C)c1 CNC(=O)NC[*:1] Cc1cc(ccc1Br)N(C)C(=O)[*:1]
CNC(=O)NCC(=O)N(C)c1ccc(Br)c(C)c1 CNC(=O)N[*:1] Cc1cc(ccc1Br)N(C)C(=O)C[*:1]
CCN(C(=O)Cc1ccncc1)C1CCC([NH3+])CC1 c1cc(ccn1)[*:1] CCN(C(=O)C[*:1])C1CCC([NH3+])CC1
CNC(=O)NC(=O)[C@H](C)Nc1cccc(CC[NH+]2CCCC2)c1 CNC(=O)NC(=O)[*:1] C[C@H](Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
CC(C)[NH+](C)Cc1ccc(C2=NC(=O)CC(c3cccnc3)=N2)cc1 CC(C)[*:1] C[NH+](Cc1ccc(cc1)C1N=C(CC(=O)N=1)c1cccnc1)[*:1]
CC(C)[NH+](C)Cc1ccc(C2=NC(=O)CC(c3cccnc3)=N2)cc1 c1cncc(c1)[*:1] CC(C)[NH+](C)Cc1ccc(cc1)C1=NC(=O)CC(=N1)[*:1]
COCc1ccccc1CNC(=O)NCC[NH+]1CCC(C)CC1 COC[*:1] CC1CC[NH+](CCNC(=O)NCc2ccccc2[*:1])CC1
CCNC(=O)[C@H](NC(=O)CC(C)C)C(C)C CC(C)[*:1] CCNC(=O)[C@H](NC(=O)C[*:1])C(C)C
CCNC(=O)[C@H](NC(=O)CC(C)C)C(C)C CCNC(=O)[*:1] CC(C)CC(=O)N[C@H](C(C)C)[*:1]
CCNC(=O)[C@H](NC(=O)CC(C)C)C(C)C CC(C)C[*:1] CCNC(=O)[C@H](NC(=O)[*:1])C(C)C
CCNC(=O)[C@H](NC(=O)CC(C)C)C(C)C CC(C)[*:1] CCNC(=O)[C@H](NC(=O)CC(C)C)[*:1]
C=CCCC(=O)Nc1ccc(COC(=O)N2CCOCC2)cc1 C=CC[*:1] O=C(C[*:1])Nc1ccc(cc1)COC(=O)N1CCOCC1
C=CCCC(=O)Nc1ccc(COC(=O)N2CCOCC2)cc1 C=CCCC(=O)N[*:1] O=C(OCc1ccc(cc1)[*:1])N1CCOCC1
C=CCCC(=O)Nc1ccc(COC(=O)N2CCOCC2)cc1 C=CCC[*:1] O=C(OCc1ccc(cc1)NC(=O)[*:1])N1CCOCC1
COc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)S(=O)(=O)C[*:1]
COc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc(OC)c1OC c1ccc(cc1)C[*:1] COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccccc1[C@@H](O)[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] COc1ccccc1[C@@H](O)[C@H](C)[*:1]
COc1cccc(C(=O)N(Cc2cccc3ccccc23)[C@H]2CCS(=O)(=O)C2)c1 COc1cccc(c1)[*:1] O=C(N(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1)[*:1]
O=C(Nc1ccc2c(c1)C(=O)CCC2)NC1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc2CCCC(=O)c2c1)NC1CCN(CC1)[*:1]
COC(=O)c1cccc(NC(=S)Nc2ccccc2)c1C c1ccc(cc1)[*:1] COC(=O)c1cccc(NC(=S)N[*:1])c1C
COC(=O)c1cccc(NC(=S)Nc2ccccc2)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NC(=S)Nc1ccccc1
CCC[C@H]1C[C@H]1NC(=O)c1ccc(-n2cncn2)c(C)c1 CCC[*:1] Cc1cc(ccc1-n1cncn1)C(=O)N[C@@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@H]1NC(=O)c1ccc(-n2cncn2)c(C)c1 c1ncn(n1)[*:1] CCC[C@H]1C[C@H]1NC(=O)c1ccc(c(C)c1)[*:1]
CCCCn1c(SCC(=O)[C@@H]2CC=C(Cl)S2)n[nH]c1=O CCCC[*:1] O=C(CSc1n[nH]c(=O)n1[*:1])[C@@H]1CC=C(Cl)S1
CCCCn1c(SCC(=O)[C@@H]2CC=C(Cl)S2)n[nH]c1=O CCC[*:1] O=C(CSc1n[nH]c(=O)n1C[*:1])[C@@H]1CC=C(Cl)S1
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)[*:1])c1cccs1
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccs1 c1csc(c1)[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccc(F)cc1)[*:1]
c1coc([C@H]2CCCCCN2Cc2nc(-c3ccc4c(c3)OCO4)no2)c1 c1cc2OCOc2cc1[*:1] c1coc(c1)[C@H]1CCCCCN1Cc1nc(no1)[*:1]
c1coc([C@H]2CCCCCN2Cc2nc(-c3ccc4c(c3)OCO4)no2)c1 c1coc(c1)[*:1] c1cc2OCOc2cc1-c1noc(CN2CCCCC[C@@H]2[*:1])n1
CC(C)(C)NC(=O)N1CCc2nc(NC(=O)C3CC3)sc2C1 C1CC1[*:1] CC(C)(C)NC(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
CC(C)(C)NC(=O)N1CCc2nc(NC(=O)C3CC3)sc2C1 O=C(N[*:1])C1CC1 CC(C)(C)NC(=O)N1CCc2nc(sc2C1)[*:1]
CC(C)(C)NC(=O)N1CCc2nc(NC(=O)C3CC3)sc2C1 CC(C)(C)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)N[*:1])C1CC1
Cc1cc(F)cc(NC(=O)N[C@@H]2COC[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] Cc1cc(F)cc(c1)NC(=O)N[C@@H]1COC[C@@H]1[*:1]
Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(O[*:1])c(Cl)c1
Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(c(Cl)c1)[*:1]
Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 Cc1noc(C)c1[*:1] C[C@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)[*:1]
O=C([O-])C[NH+]1CC(c2nc(-c3cccs3)no2)C1 c1csc(c1)[*:1] O=C([O-])C[NH+]1CC(C1)c1nc(no1)[*:1]
O=C([O-])C[NH+]1CC(c2nc(-c3cccs3)no2)C1 O=C([O-])[*:1] c1csc(c1)-c1noc(n1)C1C[NH+](C1)C[*:1]
O=C(NCC[C@@H]1CCCO1)c1cncc(Br)c1 C1CO[C@@H](C1)[*:1] O=C(NCC[*:1])c1cncc(Br)c1
CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F CC(C)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])C(=O)Nc1cc(Cl)ccc1F
C[C@H](OC(=O)c1cccc(I)c1)C(=O)NC1(C#N)CCCCC1 Ic1cccc(c1)[*:1] C[C@H](OC(=O)[*:1])C(=O)NC1(C#N)CCCCC1
C[C@H](NC(=O)CCNC(=O)c1cccs1)c1ccc2c(c1)CCCC2 c1csc(c1)[*:1] C[C@H](NC(=O)CCNC(=O)[*:1])c1ccc2CCCCc2c1
C[C@H](NC(=O)CCNC(=O)c1cccs1)c1ccc2c(c1)CCCC2 O=C(N[*:1])c1cccs1 C[C@H](NC(=O)CC[*:1])c1ccc2CCCCc2c1
CC(=O)Nc1ccc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])C1(CCCC1)c1ccc(F)cc1F
CC(=O)Nc1ccc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)cc1 Fc1ccc(c(F)c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C1(CCCC1)[*:1]
CCCN(C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1ccc(cc1)[C@H](C)N[C@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCN(C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)[*:1] CCCN(C(=O)[C@@H](C)N[C@@H](C)[*:1])[C@H]1CCS(=O)(=O)C1
CCCN(C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCN(C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1)[*:1]
C[C@@H]([NH2+]C1(CO)CCCCC1)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@@H]([NH2+]C1(CO)CCCCC1)[C@@H](C)[*:1]
Cn1c(=O)c2ccccc2n2c(=S)n(C[NH+](C)CCc3ccc(F)cc3)nc12 Fc1ccc(cc1)CC[*:1] Cn1c(=O)c2ccccc2n2c(=S)n(C[NH+](C)[*:1])nc12
Cn1c(=O)c2ccccc2n2c(=S)n(C[NH+](C)CCc3ccc(F)cc3)nc12 Fc1ccc(cc1)C[*:1] Cn1c(=O)c2ccccc2n2c(=S)n(C[NH+](C)C[*:1])nc12
Cn1c(=O)c2ccccc2n2c(=S)n(C[NH+](C)CCc3ccc(F)cc3)nc12 Fc1ccc(cc1)[*:1] Cn1c(=O)c2ccccc2n2c(=S)n(C[NH+](C)CC[*:1])nc12
O=C(c1cccc(-c2ccoc2)c1)N1CCCC[C@H]1C1OCCO1 c1cc(co1)[*:1] O=C(c1cccc(c1)[*:1])N1CCCC[C@H]1C1OCCO1
O=C(c1cccc(-c2ccoc2)c1)N1CCCC[C@H]1C1OCCO1 C1COC(O1)[*:1] O=C(c1cccc(c1)-c1ccoc1)N1CCCC[C@@H]1[*:1]
C[C@H](NC(=O)N1CC[C@@H](Nc2ccccc2)C1)c1ccc2c(c1)OCCO2 c1ccc(cc1)N[*:1] C[C@H](NC(=O)N1CC[C@@H](C1)[*:1])c1ccc2OCCOc2c1
C[C@H](NC(=O)N1CC[C@@H](Nc2ccccc2)C1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CC[C@H](C1)N[*:1])c1ccc2OCCOc2c1
Cn1cc(Cl)cc1C(=O)OCC(N)=O NC(=O)[*:1] Cn1cc(Cl)cc1C(=O)OC[*:1]
Cn1cc(Cl)cc1C(=O)OCC(N)=O NC(=O)C[*:1] Cn1cc(Cl)cc1C(=O)O[*:1]
CCC1(CC)C[NH2+][C@H](C)CN1Cc1nccs1 c1csc(n1)[*:1] CCC1(CC)C[NH2+][C@H](C)CN1C[*:1]
O=C(NCC1CCCCC1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 C1CCC(CC1)[*:1] O=C(NC[*:1])c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCO1
O=C(NCC1CCCCC1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 C1CCC(CC1)C[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCO1
Nc1ccc([C@H]([NH3+])C(=O)[O-])cc1C(F)(F)F FC(F)(F)[*:1] Nc1ccc(cc1[*:1])[C@H]([NH3+])C(=O)[O-]
Nc1ccc([C@H]([NH3+])C(=O)[O-])cc1C(F)(F)F O=C([O-])[*:1] Nc1ccc(cc1C(F)(F)F)[C@H]([NH3+])[*:1]
O=C(NCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cccnc1 Clc1ccc(cc1)[*:1] O=C(NCCNC(=O)[C@@H]1C[C@@H]1[*:1])c1cccnc1
O=C(NCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cccnc1 c1cncc(c1)[*:1] O=C(NCCNC(=O)[*:1])[C@@H]1C[C@H]1c1ccc(Cl)cc1
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)[NH+]1CCCC1)[*:1]
N#CC1(NC(=O)CCc2ccco2)CCCCC1 c1coc(c1)C[*:1] N#CC1(CCCCC1)NC(=O)C[*:1]
N#CC1(NC(=O)CCc2ccco2)CCCCC1 c1coc(c1)[*:1] N#CC1(CCCCC1)NC(=O)CC[*:1]
Cn1c(SCC(=O)NCc2ccccc2CN2CCOCC2)nc2sc3c(c2c1=O)CCCC3 C1CN(CCO1)[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)SCC(=O)NCc1ccccc1C[*:1]
Cn1c(SCC(=O)NCc2ccccc2CN2CCOCC2)nc2sc3c(c2c1=O)CCCC3 C1CN(CCO1)C[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)SCC(=O)NCc1ccccc1[*:1]
Cc1cc(C(=O)N2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)[nH]n1 Cc1cc([nH]n1)[*:1] CN1C(=O)[C@@]2(CCCN(C2)C(=O)[*:1])c2ccccc21
COc1cccc([C@@H]2CN(C(=O)CCSC)C[C@H]2C(=O)[O-])c1OC O=C([O-])[*:1] COc1cccc(c1OC)[C@@H]1CN(C[C@@H]1[*:1])C(=O)CCSC
COc1cccc([C@@H]2CN(C(=O)CCSC)C[C@H]2C(=O)[O-])c1OC CSC[*:1] COc1cccc(c1OC)[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)C[*:1]
COc1cccc([C@@H]2CN(C(=O)CCSC)C[C@H]2C(=O)[O-])c1OC CSCC[*:1] COc1cccc(c1OC)[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)[*:1]
C[C@H]1CSC(SCC(=O)Nc2ccccc2[N+](=O)[O-])=N1 O=[N+]([O-])[*:1] C[C@H]1CSC(=N1)SCC(=O)Nc1ccccc1[*:1]
C[C@H](c1ccco1)N1CC(=O)N2CCC[C@@H]2C1=O c1coc(c1)[*:1] C[C@H](N1CC(=O)N2CCC[C@@H]2C1=O)[*:1]
CCc1cnc(CN(C)C(=O)NCCNC(=O)C(C)C)s1 CCc1cnc(s1)[*:1] CC(C)C(=O)NCCNC(=O)N(C)C[*:1]
CCc1cnc(CN(C)C(=O)NCCNC(=O)C(C)C)s1 CC(C)C(=O)N[*:1] CCc1cnc(CN(C)C(=O)NCC[*:1])s1
CCc1cnc(CN(C)C(=O)NCCNC(=O)C(C)C)s1 CC(C)[*:1] CCc1cnc(CN(C)C(=O)NCCNC(=O)[*:1])s1
CCc1cnc(CN(C)C(=O)NCCNC(=O)C(C)C)s1 CC(C)C(=O)NC[*:1] CCc1cnc(CN(C)C(=O)NC[*:1])s1
COCC[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 COCC[*:1] Clc1ccc(cn1)CN1CC[NH+](CC1)[*:1]
COCC[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 COC[*:1] Clc1ccc(cn1)CN1CC[NH+](CC1)C[*:1]
COC(C)(C)C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 c1ccc(cc1)CC[*:1] COC(C)(C)C(=O)N1CCC[C@H]1c1nc(C)c2CCC(=O)N(c2n1)[*:1]
COC(C)(C)C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 COC(C)(C)[*:1] Cc1nc(nc2c1CCC(=O)N2CCc1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
COC(C)(C)C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 c1ccc(cc1)[*:1] COC(C)(C)C(=O)N1CCC[C@H]1c1nc(C)c2CCC(=O)N(CC[*:1])c2n1
COC(C)(C)C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 c1ccc(cc1)C[*:1] COC(C)(C)C(=O)N1CCC[C@H]1c1nc(C)c2CCC(=O)N(C[*:1])c2n1
CC[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] CC[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[*:1]
CC[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)S(C)(=O)=O O=C([O-])[*:1] CC[C@H](N(C)C(=O)NCC(C)(C)S(C)(=O)=O)[*:1]
O=C1[NH+]=c2ccccc2=C1NNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] O=C1[NH+]=c2ccccc2=C1NNC(=O)c1cccc(c1)S(=O)(=O)[N-]c1cccc(c1)[*:1]
O=C1[NH+]=c2ccccc2=C1NNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 FC(F)(F)c1cccc(c1)[*:1] O=C1[NH+]=c2ccccc2=C1NNC(=O)c1cccc(c1)S(=O)(=O)[N-][*:1]
C=C(C)COc1ccc(C(=O)N[C@H](C)c2cc(CC)no2)cc1 C=C(C)C[*:1] CCc1cc(on1)[C@@H](C)NC(=O)c1ccc(cc1)O[*:1]
C=C(C)COc1ccc(C(=O)N[C@H](C)c2cc(CC)no2)cc1 C=C(C)CO[*:1] CCc1cc(on1)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
C=C(C)COc1ccc(C(=O)N[C@H](C)c2cc(CC)no2)cc1 CCc1cc(on1)[*:1] C=C(C)COc1ccc(cc1)C(=O)N[C@H](C)[*:1]
C=C(C)COc1ccc(C(=O)N[C@H](C)c2cc(CC)no2)cc1 C=C(C)[*:1] CCc1cc(on1)[C@@H](C)NC(=O)c1ccc(cc1)OC[*:1]
Cn1ncc(N2CCO[C@@H](CCNc3nnc(C4CC4)o3)C2)cc1=O Cn1ncc(cc1=O)[*:1] C(C[C@H]1CN(CCO1)[*:1])Nc1nnc(o1)C1CC1
Cn1ncc(N2CCO[C@@H](CCNc3nnc(C4CC4)o3)C2)cc1=O C1CC1c1nnc(o1)[*:1] Cn1ncc(cc1=O)N1CCO[C@@H](CCN[*:1])C1
Cn1ncc(N2CCO[C@@H](CCNc3nnc(C4CC4)o3)C2)cc1=O C1CC1[*:1] Cn1ncc(cc1=O)N1CCO[C@@H](CCNc2nnc(o2)[*:1])C1
CS[C@H]1CC[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)CCNS(=O)(=O)[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 c1ccc2sc(nc2c1)[*:1] CC[C@@H](C)NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)(C)c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1ccoc1 CC(C)(C)[*:1] c1cc(co1)CN1[C@H]2CC[C@@H]1c1cnc3cc(nn3c1C2)[*:1]
CC(C)(C)c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1ccoc1 c1cc(co1)C[*:1] CC(C)(C)c1cc2ncc3c(C[C@@H]4CC[C@H]3N4[*:1])n2n1
CC(C)(C)c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1ccoc1 c1cc(co1)[*:1] CC(C)(C)c1cc2ncc3c(C[C@@H]4CC[C@H]3N4C[*:1])n2n1
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3csc(-c4cccnc4)n3)cc2)C1 c1cncc(c1)[*:1] C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(cc2)CNC(=O)Cc2csc(n2)[*:1])C1
CCC1(C[NH2+][C@H](C)c2ccc3ccccc3n2)CC1 CCC1(CC1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc2ccccc2n1
O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1cc2CS(=O)(=O)c3cc(Cl)ccc3-c2s1
OC[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)c1)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] OC[C@@H]([NH2+]Cc1ccn(c1)[*:1])c1ccc(Cl)cc1
OC[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)c1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] OC[C@@H]([NH2+]Cc1ccn(c1)C[*:1])c1ccc(Cl)cc1
OC[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] OC[C@@H]([NH2+]Cc1ccn(c1)Cc1ccccc1)[*:1]
CC(C)(C)SCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 CC(C)(C)S[*:1] O=C([O-])c1cn(nn1)C1CN(C1)C(=O)C[*:1]
CC(C)(C)SCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 CC(C)(C)SC[*:1] O=C([O-])c1cn(nn1)C1CN(C1)C(=O)[*:1]
CC(C)(C)SCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 CC(C)(C)[*:1] O=C([O-])c1cn(nn1)C1CN(C1)C(=O)CS[*:1]
CC(C)(C)SCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 O=C([O-])[*:1] CC(C)(C)SCC(=O)N1CC(C1)n1cc(nn1)[*:1]
C[NH+](CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(C(N)=O)cc1 Clc1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1ccc(cc1)C(N)=O)CC(=O)N[*:1]
C[NH+](CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[NH+](CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(cc1)[*:1]
Cc1cccc([C@@H](C)Sc2ccccc2S(C)(=O)=O)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)[C@@H](C)Sc1ccccc1[*:1]
N=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@H](O)COc1ccccc1 Clc1ccccc1C[*:1] N=c1n(C[C@H](O)COc2ccccc2)c2ccccc2n1[*:1]
N=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@H](O)COc1ccccc1 c1ccc(cc1)OC[*:1] N=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@H](O)[*:1]
N=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@H](O)COc1ccccc1 c1ccc(cc1)[*:1] N=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@H](O)CO[*:1]
N=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@H](O)COc1ccccc1 Clc1ccccc1[*:1] N=c1n(C[C@H](O)COc2ccccc2)c2ccccc2n1C[*:1]
N=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@H](O)COc1ccccc1 c1ccc(cc1)O[*:1] N=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@H](O)C[*:1]
O=C(CCSc1ccc(Cl)cc1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(CCSc1ccc(Cl)cc1)N1CCOC[C@H]1[*:1]
O=C(CCSc1ccc(Cl)cc1)N1CCOC[C@@H]1C1CC1 Clc1ccc(cc1)[*:1] O=C(CCS[*:1])N1CCOC[C@@H]1C1CC1
C[C@H](Cc1ccco1)NC(=O)[C@H]1Cc2[nH+]c[nH]c2CN1 c1coc(c1)C[*:1] C[C@H](NC(=O)[C@H]1Cc2[nH+]c[nH]c2CN1)[*:1]
C[C@H](Cc1ccco1)NC(=O)[C@H]1Cc2[nH+]c[nH]c2CN1 c1coc(c1)[*:1] C[C@H](C[*:1])NC(=O)[C@H]1Cc2[nH+]c[nH]c2CN1
Cc1ccc(F)c(NC(=O)CCOc2ccccc2C)c1 Cc1ccccc1[*:1] Cc1ccc(F)c(c1)NC(=O)CCO[*:1]
CN1C[C@H](NC(=O)CCCc2cccs2)CCC1=O c1csc(c1)C[*:1] CN1C[C@@H](CCC1=O)NC(=O)CC[*:1]
CN1C[C@H](NC(=O)CCCc2cccs2)CCC1=O c1csc(c1)[*:1] CN1C[C@@H](CCC1=O)NC(=O)CCC[*:1]
O=C(CCSCc1cccc(F)c1)N1CCc2sccc2C1 Fc1cccc(c1)[*:1] O=C(CCSC[*:1])N1CCc2sccc2C1
O=C(/C=C/c1ccccc1F)Nc1ccc(F)c([N+](=O)[O-])c1 Fc1ccccc1[*:1] O=C(C=C[*:1])Nc1ccc(F)c(c1)[N+](=O)[O-]
O=C(/C=C/c1ccccc1F)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccccc1F)Nc1ccc(F)c(c1)[*:1]
O=C(NC1=CC2=CC=N[C@H]2C=C1)c1ccc2c(c1)S[C@@H](n1cccc1)N2 c1ccn(c1)[*:1] O=C(NC1C=C[C@@H]2N=CC=C2C=1)c1ccc2N[C@H](Sc2c1)[*:1]
CC(C)(C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)[O-] O=C([O-])[*:1] CC(C)(C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2)[*:1]
COc1cc(NC(=O)c2cc(Br)ccc2O)ccc1NS(C)(=O)=O CS(=O)(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)c1cc(Br)ccc1O
COc1cc(NC(=O)c2cc(Br)ccc2O)ccc1NS(C)(=O)=O Oc1ccc(Br)cc1[*:1] COc1cc(ccc1NS(C)(=O)=O)NC(=O)[*:1]
CNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O CNC(=O)NC(=O)[*:1] O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1C[*:1]
CNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O CNC(=O)NC(=O)C[*:1] O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1[*:1]
Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)N(CC(=O)NC[*:1])c1ccc2OCOc2c1
Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)[*:1]
Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 Cc1noc(C)c1[*:1] O=C(CN(c1ccc2OCOc2c1)S(=O)(=O)[*:1])NCc1ccc(Cl)cc1
Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 Clc1ccc(cc1)C[*:1] Cc1noc(C)c1S(=O)(=O)N(CC(=O)N[*:1])c1ccc2OCOc2c1
Cc1ccc(C[C@@H](C#N)Sc2nnc3n(C)c4ccccc4n23)cc1 Cc1ccc(cc1)C[*:1] Cn1c2ccccc2n2c(nnc12)S[C@H](C#N)[*:1]
Cc1ccc(C[C@@H](C#N)Sc2nnc3n(C)c4ccccc4n23)cc1 Cc1ccc(cc1)[*:1] Cn1c2ccccc2n2c(nnc12)S[C@H](C#N)C[*:1]
Cc1cc([C@@H](Cl)[C@@H]2CCOC2)ccc1F C1C[C@H](CO1)[*:1] Cc1cc(ccc1F)[C@@H](Cl)[*:1]
CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(=O)N1c2ccccc2C[C@@H]1C(=O)NC[*:1]
COc1cccc2c1OC[C@@H](CNC(=O)CCc1ccccn1)C2 c1ccc(CC[*:1])nc1 COc1cccc2C[C@H](CNC(=O)[*:1])COc21
COc1cccc2c1OC[C@@H](CNC(=O)CCc1ccccn1)C2 c1ccc(nc1)[*:1] COc1cccc2C[C@H](CNC(=O)CC[*:1])COc21
COc1cccc2c1OC[C@@H](CNC(=O)CCc1ccccn1)C2 c1ccc(C[*:1])nc1 COc1cccc2C[C@H](CNC(=O)C[*:1])COc21
Cc1cc(C)n(-c2ccccc2NC(=O)N[C@@H](C)C[NH+]2CCCCC2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccccc1[*:1]
C[C@H](CCc1ccccc1)CC(=O)NNc1cc(C#N)cc(Cl)n1 c1ccc(cc1)CC[*:1] C[C@H](CC(=O)NNc1cc(C#N)cc(Cl)n1)[*:1]
C[C@H](CCc1ccccc1)CC(=O)NNc1cc(C#N)cc(Cl)n1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])CC(=O)NNc1cc(C#N)cc(Cl)n1
C[C@H](CCc1ccccc1)CC(=O)NNc1cc(C#N)cc(Cl)n1 c1ccc(cc1)C[*:1] C[C@@H](CC(=O)NNc1cc(C#N)cc(Cl)n1)C[*:1]
COC[C@@H]1CCCC[C@H](Cl)C1 COC[*:1] Cl[C@H]1CCCC[C@H](C1)[*:1]
Cc1cc(NC(=O)[C@@H]2CCO[C@H]2C)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@@H]2CCO[C@H]2C)n(C[*:1])n1
Cc1cc(NC(=O)[C@@H]2CCO[C@H]2C)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)[C@@H]2CCO[C@H]2C)n(n1)[*:1]
O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc1)c1ccco1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)CNc1ccc(c2cccnc12)[*:1])c1ccco1
O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)CNc1ccc(c2cccnc12)[N+](=O)[O-])[*:1]
O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc1)c1ccco1 O=C(N[*:1])c1ccco1 O=[N+]([O-])c1ccc(NCc2ccc(cc2)[*:1])c2ncccc12
COc1cc2c(cc1OC)CN(C(=O)CNc1ccc(C)cc1C)CC2 Cc1ccc(c(C)c1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CN[*:1]
COc1cccc(C(=O)NNC(=O)c2cccn2C)c1OC Cn1cccc1[*:1] COc1cccc(C(=O)NNC(=O)[*:1])c1OC
CC(=O)c1ccc(OC(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] CC(=O)c1ccc(cc1)OC(=O)[*:1]
CC(=O)c1ccc(OC(=O)C(C)(C)C)cc1 CC(=O)[*:1] CC(C)(C)C(=O)Oc1ccc(cc1)[*:1]
O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cnn(-c2ccccc2F)c1 C1CC1[*:1] O=C(Nc1ccc(Cl)c(c1)C(=O)N[*:1])c1cnn(c1)-c1ccccc1F
O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] O=C(Nc1ccc(Cl)c(c1)C(=O)NC1CC1)c1cnn(c1)[*:1]
O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cnn(-c2ccccc2F)c1 O=C(NC1CC1)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1cnn(c1)-c1ccccc1F
Cc1cccc(-c2nn3c(=O)cc([C@H](C)n4ncc5ccccc5c4=O)[nH]c3c2C)c1 Cc1cccc(c1)[*:1] Cc1c(nn2c(=O)cc([nH]c12)[C@H](C)n1ncc2ccccc2c1=O)[*:1]
C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@@H](NC(=O)c1ccc2CCCCc2c1)c1ccc(cc1)[*:1]
CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(Br)cc4F)c(C)n3)cc2)no1 Fc1cc(Br)ccc1[*:1] CCc1nc(no1)-c1ccc(cc1)-n1cc(C(=O)N[*:1])c(C)n1
CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(Br)cc4F)c(C)n3)cc2)no1 CCc1nc(no1)[*:1] Cc1nn(cc1C(=O)Nc1ccc(Br)cc1F)-c1ccc(cc1)[*:1]
O=C(c1ccccc1)[C@@H](Sc1nnc(-c2ccncc2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H](Sc1nnc(o1)-c1ccncc1)c1ccccc1)[*:1]
O=C(c1ccccc1)[C@@H](Sc1nnc(-c2ccncc2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccccc1)[C@@H](Sc1nnc(o1)-c1ccncc1)[*:1]
O=C(c1ccccc1)[C@@H](Sc1nnc(-c2ccncc2)o1)c1ccccc1 c1cc(ccn1)[*:1] O=C(c1ccccc1)[C@@H](Sc1nnc(o1)[*:1])c1ccccc1
O=C(c1ccccc1)[C@@H](Sc1nnc(-c2ccncc2)o1)c1ccccc1 O=C(c1ccccc1)[*:1] c1ccc(cc1)[C@H](Sc1nnc(o1)-c1ccncc1)[*:1]
O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 O=c1ccn(C[*:1])c(=O)[nH]1 O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)[*:1]
O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(CC1)c1cccc(c1)[*:1]
O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 O=c1ccn(c(=O)[nH]1)[*:1] O=C(C[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C(c1ccc(Cn2cncn2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 c1ncn(n1)[*:1] O=C(c1ccc(cc1)C[*:1])N1CCC[C@H](C1)n1cc[nH+]c1
O=C(c1ccc(Cn2cncn2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 c1ncn(C[*:1])n1 O=C(c1ccc(cc1)[*:1])N1CCC[C@H](C1)n1cc[nH+]c1
C[C@H](NC(=O)N[C@@H](CO)c1ccccc1F)c1ccc(-n2cccn2)cc1 Fc1ccccc1[*:1] C[C@H](NC(=O)N[C@@H](CO)[*:1])c1ccc(cc1)-n1cccn1
C[C@H](NC(=O)N[C@@H](CO)c1ccccc1F)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@H](NC(=O)N[C@@H](CO)c1ccccc1F)c1ccc(cc1)[*:1]
CC(=O)Nc1cccc(N)c1C(=O)[O-] O=C([O-])[*:1] CC(=O)Nc1cccc(N)c1[*:1]
CC(=O)Nc1cccc(N)c1C(=O)[O-] CC(=O)N[*:1] Nc1cccc(c1C(=O)[O-])[*:1]
Cc1c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1 CC(C)[*:1] Cc1c(C)n2c3c(=O)n(CC[*:1])c(=O)n(C)c3nc2n1-c1ccccc1
Cc1c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1 CC(C)C[*:1] Cc1c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1-c1ccccc1
Cc1c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1 CC(C)CC[*:1] Cc1c(C)n2c3c(=O)n(c(=O)n(C)c3nc2n1-c1ccccc1)[*:1]
Cc1c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1[*:1]
COCCNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 COCCN[*:1] Clc1ccc(cc1)Nc1nc(nc2c1cnn2-c1ccccc1)[*:1]
COCCNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 Clc1ccc(cc1)[*:1] COCCNc1nc(N[*:1])c2cnn(-c3ccccc3)c2n1
COCCNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 COCC[*:1] Clc1ccc(cc1)Nc1nc(nc2c1cnn2-c1ccccc1)N[*:1]
COCCNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 Clc1ccc(cc1)N[*:1] COCCNc1nc(c2cnn(-c3ccccc3)c2n1)[*:1]
COCCNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] COCCNc1nc(Nc2ccc(Cl)cc2)c2cnn(c2n1)[*:1]
COCCNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 COC[*:1] Clc1ccc(cc1)Nc1nc(nc2c1cnn2-c1ccccc1)NC[*:1]
O=C(CN1CCN(Cc2ncn(-c3ccccc3)n2)CC1)N1CCCC1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)Cc1ncn(n1)[*:1])N1CCCC1
O=C(CN1CCN(Cc2ncn(-c3ccccc3)n2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] c1ccc(cc1)-n1cnc(CN2CCN(CC2)C[*:1])n1
O=C(CN1CCN(Cc2ncn(-c3ccccc3)n2)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 c1ccc(cc1)-n1cnc(CN2CCN(CC2)[*:1])n1
Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])N1CCN(CC1)S(=O)(=O)c1c(F)cccc1F
Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1c(F)cccc1F
Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 Cc1cccc(c1)OC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1c(F)cccc1F)[*:1]
Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 Fc1cccc(F)c1[*:1] Cc1cccc(c1)OCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCCCC1 O=c1sc2ccccc2n1C[*:1] Cc1ccccc1-n1c(nnc1[*:1])SCC(=O)N1CCCCCC1
Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCCCC1 O=c1sc2ccccc2n1[*:1] Cc1ccccc1-n1c(C[*:1])nnc1SCC(=O)N1CCCCCC1
Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCCCC1 Cc1ccccc1[*:1] O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1[*:1])N1CCCCCC1
Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCCCC1 O=C(C[*:1])N1CCCCCC1 Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1S[*:1]
Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCCCC1 O=C(CS[*:1])N1CCCCCC1 Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1[*:1]
Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SC[*:1]
Cn1ncnc1NC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 Cn1ncnc1[*:1] NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N[*:1]
Cn1ncnc1NC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 NC(=O)[*:1] Cn1ncnc1NC(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
CCOc1ccc([C@H](C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 CCO[*:1] C[C@H](NC(=O)N1CCN(CC1)c1cccc[nH+]1)c1ccc(cc1)[*:1]
C[C@H](O)CC[NH2+]Cc1cc2ccccc2[nH]c1=O C[C@H](O)[*:1] O=c1[nH]c2ccccc2cc1C[NH2+]CC[*:1]
COc1ccccc1-c1noc([C@@H](C)NC(=O)NC[C@H]2CCC[C@@H]2O)n1 COc1ccccc1[*:1] C[C@@H](NC(=O)NC[C@H]1CCC[C@@H]1O)c1nc(no1)[*:1]
NC(=O)CN(CCC1CCCCC1)C(=O)c1ccccc1O NC(=O)C[*:1] O=C(c1ccccc1O)N(CCC1CCCCC1)[*:1]
NC(=O)CN(CCC1CCCCC1)C(=O)c1ccccc1O C1CCC(CC1)C[*:1] NC(=O)CN(C[*:1])C(=O)c1ccccc1O
NC(=O)CN(CCC1CCCCC1)C(=O)c1ccccc1O NC(=O)[*:1] O=C(c1ccccc1O)N(CCC1CCCCC1)C[*:1]
NC(=O)CN(CCC1CCCCC1)C(=O)c1ccccc1O C1CCC(CC1)[*:1] NC(=O)CN(CC[*:1])C(=O)c1ccccc1O
NC(=O)CN(CCC1CCCCC1)C(=O)c1ccccc1O Oc1ccccc1[*:1] NC(=O)CN(CCC1CCCCC1)C(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1Nc1ccc([N+](=O)[O-])cn1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1Nc1ccc(cn1)[N+](=O)[O-])[*:1]
Cc1nn(-c2ccccc2)c(C)c1Nc1ccc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] Cc1nn(-c2ccccc2)c(C)c1Nc1ccc(cn1)[*:1]
CCC[C@H]1CN(C(=O)c2cccc(OC)c2O)CCO1 CCC[*:1] COc1cccc(C(=O)N2CCO[C@H](C2)[*:1])c1O
CCOc1ccc(C2=CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=c1[nH]c(CN2CC=C(CC2)[*:1])nc2ccc(Cl)cc12
CCOc1ccc(C2=CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)cc1 CCO[*:1] O=c1[nH]c(CN2CC=C(CC2)c2ccc(cc2)[*:1])nc2ccc(Cl)cc12
Cc1cc(C)c(NC(=O)CN(C)c2ncccc2S(N)(=O)=O)c(C)c1 NS(=O)(=O)[*:1] Cc1cc(C)c(NC(=O)CN(C)c2ncccc2[*:1])c(C)c1
Cc1cc(NC(=O)CCCS(=O)(=O)c2ccccc2)n(-c2nc3ccccc3s2)n1 O=S(=O)(c1ccccc1)[*:1] Cc1cc(NC(=O)CCC[*:1])n(n1)-c1nc2ccccc2s1
Cc1cc(NC(=O)CCCS(=O)(=O)c2ccccc2)n(-c2nc3ccccc3s2)n1 O=S(=O)(C[*:1])c1ccccc1 Cc1cc(NC(=O)CC[*:1])n(n1)-c1nc2ccccc2s1
Cc1cc(NC(=O)CCCS(=O)(=O)c2ccccc2)n(-c2nc3ccccc3s2)n1 c1ccc2sc(nc2c1)[*:1] Cc1cc(NC(=O)CCCS(=O)(=O)c2ccccc2)n(n1)[*:1]
Cc1cc(NC(=O)CCCS(=O)(=O)c2ccccc2)n(-c2nc3ccccc3s2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CCCS(=O)(=O)[*:1])n(n1)-c1nc2ccccc2s1
Cn1ncnc1CNc1ccc(Br)cc1[N+](=O)[O-] Cn1ncnc1[*:1] O=[N+]([O-])c1cc(Br)ccc1NC[*:1]
Cn1ncnc1CNc1ccc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cn1ncnc1CNc1ccc(Br)cc1[*:1]
CCn1cc(Cl)c(-c2cc(C(=O)NN)c3ccccc3n2)n1 NNC(=O)[*:1] CCn1cc(Cl)c(n1)-c1cc(c2ccccc2n1)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@@H](C)[C@H]1CCCO1 O=[N+]([O-])[*:1] COc1cc(ccc1NC(=S)N[C@@H](C)[C@H]1CCCO1)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COc1cc(ccc1NC(=S)N[C@@H](C)[*:1])[N+](=O)[O-]
N#C/C(=C/c1cc2c(cc1Cl)OCO2)c1nn(CCO)c(N)c1C#N OCC[*:1] N#C/C(=C/c1cc2OCOc2cc1Cl)c1nn(c(N)c1C#N)[*:1]
C[C@@H](Nc1cccc(-c2nc3ccccc3s2)c1)c1nc(C2CC2)no1 C1CC1[*:1] C[C@@H](Nc1cccc(c1)-c1nc2ccccc2s1)c1nc(no1)[*:1]
C[C@@H](Nc1cccc(-c2nc3ccccc3s2)c1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] C[C@@H](Nc1cccc(c1)-c1nc2ccccc2s1)[*:1]
COc1ccc(C(=O)NCCN2CCN(C(=O)c3cc(F)ccc3F)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1cc(F)ccc1F)N1CCN(CCNC(=O)[*:1])CC1
COc1ccc(C(=O)NCCN2CCN(C(=O)c3cc(F)ccc3F)CC2)cc1 Fc1ccc(F)c(c1)[*:1] COc1ccc(cc1)C(=O)NCCN1CCN(CC1)C(=O)[*:1]
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1=O Fc1ccc(c(F)c1)[*:1] C[C@]1(NC(=O)N(Cc2nc(no2)-c2cccc(c2)C(F)(F)F)C1=O)[*:1]
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1=O FC(F)(F)[*:1] C[C@]1(NC(=O)N(Cc2nc(no2)-c2cccc(c2)[*:1])C1=O)c1ccc(F)cc1F
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1=O FC(F)(F)c1cccc(c1)[*:1] C[C@]1(NC(=O)N(Cc2nc(no2)[*:1])C1=O)c1ccc(F)cc1F
Cc1ccccc1N1C(=O)N(c2cccc(C)c2C)[C@@H]2CS(=O)(=O)C[C@H]21 Cc1cccc(c1C)[*:1] Cc1ccccc1N1C(=O)N([C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
Cc1ccccc1N1C(=O)N(c2cccc(C)c2C)[C@@H]2CS(=O)(=O)C[C@H]21 Cc1ccccc1[*:1] Cc1cccc(c1C)N1C(=O)N([C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc(I)c2)C1=O Ic1cccc(c1)[*:1] C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N[*:1])C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc(I)c2)C1=O c1ccc(cc1)[*:1] C[C@]1(CC[*:1])NC(=O)N(CC(=O)Nc2cccc(I)c2)C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc(I)c2)C1=O c1ccc(cc1)CC[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2cccc(I)c2)C1=O)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc(I)c2)C1=O c1ccc(cc1)C[*:1] C[C@]1(C[*:1])NC(=O)N(CC(=O)Nc2cccc(I)c2)C1=O
O=C(c1ccccc1Br)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(c1ccccc1Br)N1CCOC[C@@H]1[*:1]
CC(C)COC(=O)c1cc(C(C)C)nn1C CC(C)[*:1] CC(C)COC(=O)c1cc(nn1C)[*:1]
CC(C)COC(=O)c1cc(C(C)C)nn1C CC(C)[*:1] CC(C)c1cc(C(=O)OC[*:1])n(C)n1
CC(C)COC(=O)c1cc(C(C)C)nn1C CC(C)C[*:1] CC(C)c1cc(C(=O)O[*:1])n(C)n1
Cc1cc(C)c2c(c1)N(C(=O)c1cccc(N3CCCNC3=O)c1)CCC2 O=C1NCCCN1[*:1] Cc1cc(C)c2CCCN(C(=O)c3cccc(c3)[*:1])c2c1
Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1=O c1coc(c1)[*:1] Cc1c(Cl)cccc1N1C[C@H](CC1=O)C(=O)Nc1ccccc1C(=O)NC[*:1]
Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1=O Cc1c(Cl)cccc1[*:1] O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1=O c1coc(c1)C[*:1] Cc1c(Cl)cccc1N1C[C@H](CC1=O)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1=O O=C(NCc1ccco1)[*:1] Cc1c(Cl)cccc1N1C[C@H](CC1=O)C(=O)Nc1ccccc1[*:1]
Cc1cccc(O[C@@H](C)/C([O-])=N/S(=O)(=O)c2cccnc2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)O[C@@H](C)/C([O-])=N/S(=O)(=O)[*:1]
Cc1cccc(O[C@@H](C)/C([O-])=N/S(=O)(=O)c2cccnc2)c1 Cc1cccc(c1)[*:1] C[C@H](O[*:1])/C([O-])=N/S(=O)(=O)c1cccnc1
COc1cccc(N2CC[NH+](Cc3nc(N)nc(Nc4ccc(C)cc4C)n3)CC2)c1 Cc1ccc(c(C)c1)[*:1] COc1cccc(c1)N1CC[NH+](CC1)Cc1nc(N)nc(n1)N[*:1]
COc1cccc(N2CC[NH+](Cc3nc(N)nc(Nc4ccc(C)cc4C)n3)CC2)c1 Cc1ccc(N[*:1])c(C)c1 COc1cccc(c1)N1CC[NH+](CC1)Cc1nc(N)nc(n1)[*:1]
COc1cccc(N2CC[NH+](Cc3nc(N)nc(Nc4ccc(C)cc4C)n3)CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(Nc2nc(N)nc(C[NH+]3CCN(CC3)[*:1])n2)c(C)c1
C=CCOc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 C=CCO[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(c1)[*:1]
C=CCOc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 C=CC[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(c1)O[*:1]
C=CCOc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 C=CCOc1cccc(c1)[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=C[*:1]
O=C(COc1ccc(Cl)cc1)N1CCC[C@H](OCc2ccc(F)c(F)c2)C1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC[C@@H](C1)OCc1ccc(F)c(F)c1
O=C(COc1ccc(Cl)cc1)N1CCC[C@H](OCc2ccc(F)c(F)c2)C1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC[C@@H](C1)OCc1ccc(F)c(F)c1
O=C(COc1ccc(Cl)cc1)N1CCC[C@H](OCc2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)C[*:1] O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](C1)O[*:1]
O=C(COc1ccc(Cl)cc1)N1CCC[C@H](OCc2ccc(F)c(F)c2)C1 Clc1ccc(cc1)OC[*:1] O=C(N1CCC[C@@H](C1)OCc1ccc(F)c(F)c1)[*:1]
O=C(COc1ccc(Cl)cc1)N1CCC[C@H](OCc2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](C1)OC[*:1]
O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N(Cc1ccccc1)Cc1ccccc1 c1coc(c1)[*:1] O=C(c1cnn2c(cc(nc12)[*:1])C(F)(F)F)N(Cc1ccccc1)Cc1ccccc1
O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1cnn2c(cc(nc12)-c1ccco1)C(F)(F)F)N(Cc1ccccc1)[*:1]
O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N(Cc1ccccc1)Cc1ccccc1 FC(F)(F)[*:1] O=C(c1cnn2c(cc(nc12)-c1ccco1)[*:1])N(Cc1ccccc1)Cc1ccccc1
O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1cnn2c(cc(nc12)-c1ccco1)C(F)(F)F)N(Cc1ccccc1)C[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCc3ccccc3C2)c1 CCC(=O)N[*:1] O=C(Nc1cc(ccc1Cl)[*:1])N1CCc2ccccc2C1
CN1[C@H]2CC[C@@H]1c1sc(=O)n(CCCC(=O)[O-])c1C2 O=C([O-])CC[*:1] CN1[C@H]2CC[C@@H]1c1sc(=O)n(C[*:1])c1C2
CN1[C@H]2CC[C@@H]1c1sc(=O)n(CCCC(=O)[O-])c1C2 O=C([O-])[*:1] CN1[C@H]2CC[C@@H]1c1sc(=O)n(CCC[*:1])c1C2
CN1[C@H]2CC[C@@H]1c1sc(=O)n(CCCC(=O)[O-])c1C2 O=C([O-])CCC[*:1] CN1[C@H]2CC[C@@H]1c1sc(=O)n(c1C2)[*:1]
CN1[C@H]2CC[C@@H]1c1sc(=O)n(CCCC(=O)[O-])c1C2 O=C([O-])C[*:1] CN1[C@H]2CC[C@@H]1c1sc(=O)n(CC[*:1])c1C2
CC[C@@H](C)c1ccc(Cn2c([C@H]3CC(=O)N(CC)C3)nc3ccccc32)cc1 CC[C@@H](C)[*:1] CCN1C[C@H](CC1=O)c1nc2ccccc2n1Cc1ccc(cc1)[*:1]
CCc1ccc(C2=CCN(C(=O)CS(=O)(=O)C3CCCC3)CC2)cc1 O=S(=O)(C1CCCC1)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)C[*:1]
CCc1ccc(C2=CCN(C(=O)CS(=O)(=O)C3CCCC3)CC2)cc1 C1CCC(C1)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)CS(=O)(=O)[*:1]
CCc1ccc(C2=CCN(C(=O)CS(=O)(=O)C3CCCC3)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(CS(=O)(=O)C1CCCC1)N1CC=C(CC1)[*:1]
CCN(C(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1)c1cccc2ccccc12 C1CC1[*:1] CCN(C(=O)[C@@H](C)Sc1nnc(C2CC2)n1[*:1])c1cccc2ccccc12
CCN(C(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1)c1cccc2ccccc12 C1CC1[*:1] CCN(C(=O)[C@@H](C)Sc1nnc(n1C1CC1)[*:1])c1cccc2ccccc12
O=C(CCc1ccccc1)N/N=C/c1cc([N+](=O)[O-])c2cccnc2c1[O-] c1ccc(cc1)[*:1] O=C(CC[*:1])N/N=C/c1cc(c2cccnc2c1[O-])[N+](=O)[O-]
O=C(CCc1ccccc1)N/N=C/c1cc([N+](=O)[O-])c2cccnc2c1[O-] c1ccc(cc1)CC[*:1] O=C(N/N=C/c1cc(c2cccnc2c1[O-])[N+](=O)[O-])[*:1]
O=C(CCc1ccccc1)N/N=C/c1cc([N+](=O)[O-])c2cccnc2c1[O-] O=[N+]([O-])[*:1] O=C(CCc1ccccc1)N/N=C/c1cc(c2cccnc2c1[O-])[*:1]
O=C(CCc1ccccc1)N/N=C/c1cc([N+](=O)[O-])c2cccnc2c1[O-] c1ccc(cc1)C[*:1] O=C(C[*:1])N/N=C/c1cc(c2cccnc2c1[O-])[N+](=O)[O-]
Cc1nc(CNC(=O)NC[C@@H](C(C)C)N2CCOCC2)cs1 CC(C)[*:1] Cc1nc(cs1)CNC(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1nc(CNC(=O)NC[C@@H](C(C)C)N2CCOCC2)cs1 Cc1nc(cs1)[*:1] CC(C)[C@H](CNC(=O)NC[*:1])N1CCOCC1
Cc1nc(CNC(=O)NC[C@@H](C(C)C)N2CCOCC2)cs1 C1CN(CCO1)[*:1] Cc1nc(cs1)CNC(=O)NC[C@@H](C(C)C)[*:1]
Cc1nc(CNC(=O)NC[C@@H](C(C)C)N2CCOCC2)cs1 Cc1nc(cs1)C[*:1] CC(C)[C@H](CNC(=O)N[*:1])N1CCOCC1
CN(CCc1nccs1)Cc1cc(Br)c2c(c1)OCCCO2 c1csc(n1)[*:1] CN(CC[*:1])Cc1cc(Br)c2OCCCOc2c1
CN(CCc1nccs1)Cc1cc(Br)c2c(c1)OCCCO2 c1csc(CC[*:1])n1 CN(Cc1cc(Br)c2OCCCOc2c1)[*:1]
CN(CCc1nccs1)Cc1cc(Br)c2c(c1)OCCCO2 c1csc(C[*:1])n1 CN(Cc1cc(Br)c2OCCCOc2c1)C[*:1]
CC(C)(CNC(=O)CCc1ccc2c(c1)OCCCO2)c1cccs1 c1csc(c1)[*:1] CC(C)(CNC(=O)CCc1ccc2OCCCOc2c1)[*:1]
CC(C)(CNC(=O)CCc1ccc2c(c1)OCCCO2)c1cccs1 CC(C)(c1cccs1)[*:1] O=C(CCc1ccc2OCCCOc2c1)NC[*:1]
CCOC(=O)c1ccc(O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 CCOC(=O)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)N(C)[C@H]1CCS(=O)(=O)C1
COc1cc(C)ccc1OC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] COc1cc(C)ccc1OC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
COc1cc(C)ccc1OC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] COc1cc(C)ccc1OC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
COc1cc(C)ccc1OC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 COc1cc(C)ccc1[*:1] O=C(O[*:1])[C@H]1CCCN(C1)C(=O)Cc1ccccc1
Cc1onc(-c2ccccc2)c1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 O=c1[nH]c2ccccc2n1[*:1] Cc1onc(-c2ccccc2)c1C(=O)N1CCC(CC1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)N1CCC(CC1)n1c(=O)[nH]c2ccccc21)[*:1]
CCC(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O CCC(=O)O[*:1] COc1ccc(/C=C2\Oc3cc(cc(C)c3C2=O)[*:1])c(c1)OC
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NCCc2c[nH]c3ccccc23)C1 CS(=O)(=O)[*:1] O=C(NCCc1c[nH]c2ccccc12)N[C@@H]1CCC[C@@H](C1)[*:1]
Cc1cccc(C(=O)NCC(=O)OCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)C(=O)NCC(=O)O[*:1]
Cc1cccc(C(=O)NCC(=O)OCc2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])OCc1ccccc1
Cc1cccc(C(=O)NCC(=O)OCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NCC(=O)OC[*:1]
CCc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@@H]32)cc1 Clc1ccccc1C[*:1] CCc1ccc(cc1)NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)S[*:1]
CCc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@@H]32)cc1 Clc1ccccc1[*:1] CCc1ccc(cc1)NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)SC[*:1]
CCc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@@H]32)cc1 CCc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1ccccc1Cl
C[C@@](O)(CNC(=O)c1ccc(Br)cc1N)CC(=O)[O-] O=C([O-])C[*:1] C[C@@](O)(CNC(=O)c1ccc(Br)cc1N)[*:1]
C[C@@](O)(CNC(=O)c1ccc(Br)cc1N)CC(=O)[O-] O=C([O-])[*:1] C[C@@](O)(CNC(=O)c1ccc(Br)cc1N)C[*:1]
S=C1N/C(=C\c2ccccc2)N=C2c3ccccc3CC3(CCCCC3)[C@@H]12 c1ccc(cc1)[*:1] S=C1NC(=C[*:1])N=C2c3ccccc3CC3(CCCCC3)[C@@H]12
CN(C)c1ccc(C(=O)NCCSCC(C)(C)O)cc1 CC(C)(O)CS[*:1] CN(C)c1ccc(cc1)C(=O)NCC[*:1]
CN(C)c1ccc(C(=O)NCCSCC(C)(C)O)cc1 CC(C)(O)C[*:1] CN(C)c1ccc(cc1)C(=O)NCCS[*:1]
CN(C)c1ccc(C(=O)NCCSCC(C)(C)O)cc1 CN(C)[*:1] CC(C)(O)CSCCNC(=O)c1ccc(cc1)[*:1]
CN(C)c1ccc(C(=O)NCCSCC(C)(C)O)cc1 CC(C)(O)[*:1] CN(C)c1ccc(cc1)C(=O)NCCSC[*:1]
C#CC[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 C#CC[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)O[C@@H](C)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(F)(F)F)s1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)Nc1nnc(s1)C(F)(F)F)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(s1)[*:1]
CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cccn2)CC1 c1ccc(cc1)[*:1] CC(C)(C)c1nn(cc1C[NH+]1CCC(CC1)n1cccn1)[*:1]
CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cccn2)CC1 c1cnn(c1)[*:1] CC(C)(C)c1nn(cc1C[NH+]1CCC(CC1)[*:1])-c1ccccc1
CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cccn2)CC1 CC(C)(C)[*:1] c1ccc(cc1)-n1cc(C[NH+]2CCC(CC2)n2cccn2)c(n1)[*:1]
Cn1ccc(NC(=O)N2CCc3ccccc3C2)n1 Cn1ccc(n1)[*:1] O=C(N[*:1])N1CCc2ccccc2C1
C[C@H]1CN(C2CCN(c3nnc(Cl)cc3C(N)=O)CC2)CCO1 C[C@H]1CN(CCO1)[*:1] NC(=O)c1cc(Cl)nnc1N1CCC(CC1)[*:1]
C[C@H]1CN(C2CCN(c3nnc(Cl)cc3C(N)=O)CC2)CCO1 NC(=O)[*:1] C[C@H]1CN(CCO1)C1CCN(CC1)c1nnc(Cl)cc1[*:1]
CC(C)c1ccc(NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)-c1cc(ncn1)N1CCCC1
CC(C)c1ccc(NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1 C1CCN(C1)[*:1] CC(C)c1ccc(cc1)NC(=O)c1ccc(cc1)-c1cc(ncn1)[*:1]
CC(C)c1ccc(NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)-c1cc(ncn1)N1CCCC1
C[C@H](NC(=O)NCCc1nccn1C(F)F)c1nccs1 FC(F)[*:1] C[C@H](NC(=O)NCCc1nccn1[*:1])c1nccs1
C[C@H](NC(=O)NCCc1nccn1C(F)F)c1nccs1 c1csc(n1)[*:1] C[C@H](NC(=O)NCCc1nccn1C(F)F)[*:1]
C[C@H](NC(=O)NCCc1nccn1C(F)F)c1nccs1 C[C@H](c1nccs1)[*:1] O=C(NCCc1nccn1C(F)F)N[*:1]
Cc1ccc(O)c(C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(O)c(c1)C(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
CN(C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
[NH3+][C@@H]1CCN(c2ccccc2Oc2ccccc2)C1 c1ccc(cc1)[*:1] [NH3+][C@@H]1CCN(C1)c1ccccc1O[*:1]
Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(F)c(F)c2)n1 Cc1cc(=O)[nH]c(n1)[*:1] O=C(Nc1cc(nn1[*:1])C1CC1)c1ccc(F)c(F)c1
Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(F)c(F)c2)n1 Fc1ccc(cc1F)[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)[*:1])C1CC1
Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(F)c(F)c2)n1 C1CC1[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)c1ccc(F)c(F)c1)[*:1]
COc1ccc(NC(=O)c2cc(CN3CCOCC3)on2)cc1OC C1CN(CCO1)[*:1] COc1ccc(cc1OC)NC(=O)c1cc(C[*:1])on1
COc1ccc(NC(=O)c2cc(CN3CCOCC3)on2)cc1OC C1CN(CCO1)C[*:1] COc1ccc(cc1OC)NC(=O)c1cc(on1)[*:1]
Cc1nnc(N2CCN(C(=O)NC[C@@H]3CCCO3)CC2)c2nn(-c3ccc(Cl)cc3)c(C)c12 Clc1ccc(cc1)[*:1] Cc1nnc(c2nn(c(C)c12)[*:1])N1CCN(CC1)C(=O)NC[C@@H]1CCCO1
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1 CC(C)CCNC(=O)[*:1] Cc1ccc(cc1)CS(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1 CC(C)C[*:1] Cc1ccc(cc1)CS(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)CS(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)CCNC(=O)C1CCN(CC1)S(=O)(=O)C[*:1]
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1 CC(C)CC[*:1] Cc1ccc(cc1)CS(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1 Cc1ccc(cc1)C[*:1] CC(C)CCNC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
c1ccc(Cc2noc(CCc3cnccn3)n2)cc1 c1cnc(cn1)[*:1] c1ccc(cc1)Cc1noc(CC[*:1])n1
c1ccc(Cc2noc(CCc3cnccn3)n2)cc1 c1ccc(cc1)[*:1] c1cnc(cn1)CCc1nc(C[*:1])no1
N#Cc1cccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 N#Cc1cccc(c1)[*:1] O=C(CO[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
N#Cc1cccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 FC(F)(F)[*:1] N#Cc1cccc(c1)OCC(=O)Nc1ccc(Cl)c(c1)[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)c1ncoc1-c1cccs1 c1csc(c1)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)c1ncoc1[*:1]
N#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@H]1[*:1]
N#CC1=C2SC[C@](O)(c3ccc(F)cc3)N2C(=O)C[C@@H]1c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] N#CC1=C2SC[C@](O)(N2C(=O)C[C@@H]1c1ccc(Cl)cc1)[*:1]
Fc1ccc(OCCN2CCO[C@H](c3ccco3)C2)c(Cl)c1 c1coc(c1)[*:1] Fc1ccc(OCCN2CCO[C@H](C2)[*:1])c(Cl)c1
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] O=C1c2ccc(cc2C(=O)N1CN[*:1])[N+](=O)[O-]
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNc1ccc(Cl)cn1 O=[N+]([O-])[*:1] O=C1c2ccc(cc2C(=O)N1CNc1ccc(Cl)cn1)[*:1]
Cc1cnc(C(=O)N[C@@H](C)Cn2nnn(-c3ccccc3)c2=O)cn1 Cc1cnc(cn1)[*:1] C[C@@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)[*:1]
Cc1cnc(C(=O)N[C@@H](C)Cn2nnn(-c3ccccc3)c2=O)cn1 c1ccc(cc1)[*:1] Cc1cnc(cn1)C(=O)N[C@@H](C)Cn1nnn(c1=O)[*:1]
O=C1CCCc2sc(-c3cccc(C(F)(F)F)c3F)nc21 FC(F)(F)[*:1] O=C1CCCc2sc(nc21)-c1cccc(c1F)[*:1]
Cc1noc(C)c1CCCNC(=O)NC[C@](C)(O)c1ccsc1 c1cc(cs1)[*:1] Cc1noc(C)c1CCCNC(=O)NC[C@](C)(O)[*:1]
Cc1noc(C)c1CCCNC(=O)NC[C@](C)(O)c1ccsc1 Cc1noc(C)c1[*:1] C[C@](O)(CNC(=O)NCCC[*:1])c1ccsc1
CCCCN(C(=O)N[C@H]1CCc2[nH]ncc2C1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(N[C@H]1CCc2[nH]ncc2C1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@H]1CCc2[nH]ncc2C1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCN(C(=O)N[C@H]1CCc2[nH]ncc2C1)[*:1]
CCCCN(C(=O)N[C@H]1CCc2[nH]ncc2C1)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(N[C@H]1CCc2[nH]ncc2C1)N([C@H]1CCS(=O)(=O)C1)[*:1]
C[C@@H](CO)NC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CO)NC(=O)N[C@H](CC(C)(C)C)[*:1]
C[C@@H](CO)NC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 CC(C)(C)[*:1] C[C@@H](CO)NC(=O)N[C@H](C[*:1])c1ccc(Cl)cc1
C[C@@H](CO)NC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 C[C@@H](CO)[*:1] CC(C)(C)C[C@@H](NC(=O)N[*:1])c1ccc(Cl)cc1
C[C@@H](CO)NC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 CC(C)(C)C[*:1] C[C@@H](CO)NC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
COc1ccccc1N1C[C@@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O Cc1cc(C)nc(n1)[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)NN[*:1]
COc1ccccc1N1C[C@@H](C(=O)NNc2nc(C)cc(C)n2)CC1=O COc1ccccc1[*:1] Cc1cc(C)nc(n1)NNC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1NCC(=O)NCc1ccco1 c1coc(c1)C[*:1] Cc1ccccc1NCC(=O)N[*:1]
Cc1ccccc1NCC(=O)NCc1ccco1 c1coc(c1)[*:1] Cc1ccccc1NCC(=O)NC[*:1]
O=C(Nc1ccc(Cl)cn1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O c1coc(c1)[*:1] O=C(Nc1ccc(Cl)cn1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
O=C(Nc1ccc(Cl)cn1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O c1coc(c1)C[*:1] O=C(Nc1ccc(Cl)cn1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C(Nc1ccc(Cl)cn1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O Clc1ccc(nc1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl)NC(=O)N[*:1]
O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)NC(=O)NC1CCCCC1 Clc1ccc(Cl)c(c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])NC(=O)NC1CCCCC1
COCc1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CCCCC2)ncn1 COC[*:1] O=C(Nc1cc(ncn1)[*:1])C(=O)N[C@@H]1C[C@H]1C1CCCCC1
COCc1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CCCCC2)ncn1 C1CCC(CC1)[*:1] COCc1cc(ncn1)NC(=O)C(=O)N[C@@H]1C[C@@H]1[*:1]
COCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] COCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(c1)OC[*:1]
COCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)CO[*:1] COCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(c1)[*:1]
COCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(OC[C@H]2CCCO2)c1 COCC[*:1] C[C@]1(Nc2ccccc2C(=O)N1[*:1])c1cccc(c1)OC[C@H]1CCCO1
COCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(OC[C@H]2CCCO2)c1 COC[*:1] C[C@]1(Nc2ccccc2C(=O)N1C[*:1])c1cccc(c1)OC[C@H]1CCCO1
COCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] COCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(c1)O[*:1]
Cc1ccc(SCCn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cn1c(=O)c2c(ncn2CCS[*:1])n(C)c1=O
C#CCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)CC1 C1CC1[*:1] C#CCN1CCN(CC1)C(=O)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
C#CCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)CC1 C#CC[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)N1CCN(CC1)[*:1])C1CC1
Cc1cccn2c(=O)c(C(=O)NCc3cc(-c4ccccc4)on3)cnc12 c1ccc(cc1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NCc1cc(on1)[*:1]
Cc1ccc(Br)c(NCc2noc(C3CCOCC3)n2)c1 C1CC(CCO1)[*:1] Cc1ccc(Br)c(c1)NCc1noc(n1)[*:1]
O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1F O=[N+]([O-])[*:1] Fc1cc(ccc1[*:1])C[NH2+][C@H]1CCc2ccccc21
CC1(C)CCC[C@H]1NS(=O)(=O)c1ccccc1C#CCO OCC#C[*:1] CC1(C)CCC[C@H]1NS(=O)(=O)c1ccccc1[*:1]
COc1cc(CNC(=O)NCc2cc(=O)[nH]c3ccccc23)ccn1 COc1cc(ccn1)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)NC[*:1]
Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(C)n1[*:1]
CSc1ncccc1C(=O)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 CSc1ncccc1C(=O)N[*:1] c1ccc(cc1)N1CCN(CC1)c1ncnc2c1cnn2CC[*:1]
CSc1ncccc1C(=O)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 c1ccc(cc1)[*:1] CSc1ncccc1C(=O)NCCn1ncc2c(ncnc21)N1CCN(CC1)[*:1]
CSc1ncccc1C(=O)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 CSc1ncccc1[*:1] O=C(NCCn1ncc2c(ncnc21)N1CCN(CC1)c1ccccc1)[*:1]
COc1ccc(CN(C[C@H]2CCCO2)C(=O)NCc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)CN(C[C@H]1CCCO1)C(=O)NC[*:1]
COc1ccc(CN(C[C@H]2CCCO2)C(=O)NCc2ccc3c(c2)OCO3)cc1 COc1ccc(cc1)C[*:1] O=C(NCc1ccc2OCOc2c1)N(C[C@H]1CCCO1)[*:1]
COc1ccc(CN(C[C@H]2CCCO2)C(=O)NCc2ccc3c(c2)OCO3)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)N(C[C@H]1CCCO1)C[*:1]
C[C@H](c1nc(-c2ccccc2)no1)[S@](=O)CCC(=O)NC(C)(C)C c1ccc(cc1)[*:1] C[C@H](c1nc(no1)[*:1])[S@](=O)CCC(=O)NC(C)(C)C
C[C@H](c1nc(-c2ccccc2)no1)[S@](=O)CCC(=O)NC(C)(C)C CC(C)(C)NC(=O)C[*:1] C[C@H](c1nc(no1)-c1ccccc1)[S@](=O)C[*:1]
C[C@H](c1nc(-c2ccccc2)no1)[S@](=O)CCC(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](c1nc(no1)-c1ccccc1)[S@](=O)CC[*:1]
C[C@H](c1nc(-c2ccccc2)no1)[S@](=O)CCC(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](c1nc(no1)-c1ccccc1)[S@](=O)CCC(=O)N[*:1]
CC(C)n1cncc1[C@H]1CC(=O)C=CO1 CC(C)[*:1] O=C1C=CO[C@H](C1)c1cncn1[*:1]
CCCC12CN3CCN(CC(C3)/C1=N\NC(=S)NC(C)(C)C)C2 CCC[*:1] CC(C)(C)NC(=S)N/N=C1\C2CN3CCN(C2)CC1(C3)[*:1]
CCCC12CN3CCN(CC(C3)/C1=N\NC(=S)NC(C)(C)C)C2 CC(C)(C)[*:1] CCCC12CN3CCN(CC(C3)/C1=N\NC(=S)N[*:1])C2
CCC[NH2+][C@H](c1ccnn1CC)[C@H]1CN2CCC[C@@H]2CO1 CCn1nccc1[*:1] CCC[NH2+][C@H]([C@H]1CN2CCC[C@@H]2CO1)[*:1]
CCC[NH2+][C@H](c1ccnn1CC)[C@H]1CN2CCC[C@@H]2CO1 CCC[*:1] CCn1nccc1[C@@H]([NH2+][*:1])[C@H]1CN2CCC[C@@H]2CO1
O=C(N[C@H](CO)c1ccccc1F)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(N[C@H](CO)c1ccccc1F)c1cccc(c1)[*:1]
O=C(N[C@H](CO)c1ccccc1F)c1cccc(N2CCCC2=O)c1 Fc1ccccc1[*:1] O=C(N[C@H](CO)[*:1])c1cccc(c1)N1CCCC1=O
CC(C)(C)CC(=O)N1CCC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 CC(C)(C)[*:1] CC(C)(C)CC(=O)N1CCC[NH+](CC1)Cc1ncc(o1)[*:1]
CC(C)(C)CC(=O)N1CCC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 CC(C)(C)C[*:1] CC(C)(C)c1cnc(C[NH+]2CCCN(CC2)C(=O)[*:1])o1
CC(C)(C)CC(=O)N1CCC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 CC(C)(C)[*:1] CC(C)(C)c1cnc(C[NH+]2CCCN(CC2)C(=O)C[*:1])o1
Cc1ccc(OCCNc2ncnc3sc(C)c(C)c23)cc1 Cc1ccc(cc1)[*:1] Cc1sc2ncnc(NCCO[*:1])c2c1C
CC(C)(C)NC(=O)C(=O)NC[C@@H](O)c1cccc2ccccc12 CC(C)(C)[*:1] O=C(NC[C@@H](O)c1cccc2ccccc12)C(=O)N[*:1]
C[C@@H](CNC(=O)N(C)Cc1cccs1)Oc1ccccc1F c1csc(c1)[*:1] C[C@@H](CNC(=O)N(C)C[*:1])Oc1ccccc1F
C[C@@H](CNC(=O)N(C)Cc1cccs1)Oc1ccccc1F c1csc(c1)C[*:1] C[C@@H](CNC(=O)N(C)[*:1])Oc1ccccc1F
C[C@@H](CNC(=O)N(C)Cc1cccs1)Oc1ccccc1F Fc1ccccc1[*:1] C[C@@H](CNC(=O)N(C)Cc1cccs1)O[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1 Cc1nn(C)c(C)c1[*:1] O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)C(=O)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCCC[C@H]1O[*:1]
CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 CC[C@H](C)[*:1] C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[*:1]
N#Cc1ccc(-c2noc([C@H]3CC(=O)N(C4CCCCCC4)C3)n2)nc1 C1CCCC(CC1)[*:1] N#Cc1ccc(nc1)-c1noc(n1)[C@H]1CC(=O)N(C1)[*:1]
N#Cc1ccc(-c2noc([C@H]3CC(=O)N(C4CCCCCC4)C3)n2)nc1 N#Cc1ccc(nc1)[*:1] O=C1C[C@@H](CN1C1CCCCCC1)c1nc(no1)[*:1]
COc1ccc2ccccc2c1CCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] COc1ccc2ccccc2c1CCNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(CCSc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CCSc1ncc(o1)-c1ccc(F)cc1)N[*:1]
O=C(CCSc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1F Fc1ccc(cc1)[*:1] O=C(CCSc1ncc(o1)[*:1])Nc1ccccc1F
C[C@H](OC(=O)Cc1cccc2ccccc12)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@H](OC(=O)Cc1cccc2ccccc12)[*:1]
CN(C)C1(C[NH2+][C@@H]2CCCC2(C)C)CCCCC1 CN(C)[*:1] CC1(C)CCC[C@H]1[NH2+]CC1(CCCCC1)[*:1]
CCc1ccc([C@@H](COC)Nc2ccc3nnc(C(F)F)n3n2)o1 COC[*:1] CCc1ccc(o1)[C@@H](Nc1ccc2nnc(C(F)F)n2n1)[*:1]
CCc1ccc([C@@H](COC)Nc2ccc3nnc(C(F)F)n3n2)o1 FC(F)[*:1] CCc1ccc(o1)[C@@H](COC)Nc1ccc2nnc(n2n1)[*:1]
CCc1ccc([C@@H](COC)Nc2ccc3nnc(C(F)F)n3n2)o1 CCc1ccc(o1)[*:1] COC[C@@H](Nc1ccc2nnc(C(F)F)n2n1)[*:1]
Cc1ccc(C)c(-n2nnnc2SCc2nc(-c3cccs3)no2)c1 Cc1ccc(C)c(c1)[*:1] c1csc(c1)-c1noc(CSc2nnnn2[*:1])n1
Cc1ccc(C)c(-n2nnnc2SCc2nc(-c3cccs3)no2)c1 c1csc(c1)[*:1] Cc1ccc(C)c(c1)-n1nnnc1SCc1nc(no1)[*:1]
C[C@@H](Sc1nc2ccccc2n1C)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nc2ccccc2n1C)C(=O)N(C)C[*:1]
C[C@@H](Sc1nc2ccccc2n1C)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Sc1nc2ccccc2n1C)C(=O)N(C)[*:1]
C[C@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)c1ccoc1 CN(C)[*:1] C[C@H]([NH2+]C[C@]1(CCC[C@@H](C)C1)[*:1])c1ccoc1
C[C@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)c1ccoc1 c1cc(co1)[*:1] C[C@H]([NH2+]C[C@]1(CCC[C@@H](C)C1)N(C)C)[*:1]
NC(=O)c1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1 Clc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)C(=O)N(C[*:1])C1CC1
NC(=O)c1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1 NC(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccc(Cl)cc1)C1CC1
NC(=O)c1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1 C1CC1[*:1] NC(=O)c1ccc(cc1)C(=O)N(Cc1ccc(Cl)cc1)[*:1]
Cc1nc(COc2ccccc2C(=O)OCC(C)C)no1 CC(C)COC(=O)[*:1] Cc1nc(COc2ccccc2[*:1])no1
Cc1nc(COc2ccccc2C(=O)OCC(C)C)no1 CC(C)C[*:1] Cc1nc(COc2ccccc2C(=O)O[*:1])no1
Cc1nc(COc2ccccc2C(=O)OCC(C)C)no1 CC(C)[*:1] Cc1nc(COc2ccccc2C(=O)OC[*:1])no1
Cc1nc(COc2ccccc2C(=O)OCC(C)C)no1 Cc1nc(C[*:1])no1 CC(C)COC(=O)c1ccccc1O[*:1]
Cc1nc(COc2ccccc2C(=O)OCC(C)C)no1 Cc1nc(no1)[*:1] CC(C)COC(=O)c1ccccc1OC[*:1]
Cc1ncc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)s1 Cc1ncc(s1)[*:1] C1C[C@H](CN(C1)C[*:1])c1noc(n1)C1CC1
Cc1ncc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)s1 Cc1ncc(C[*:1])s1 C1C[C@H](CN(C1)[*:1])c1noc(n1)C1CC1
Cc1ncc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)s1 C1CC1[*:1] Cc1ncc(CN2CCC[C@H](C2)c2noc(n2)[*:1])s1
Cc1ccc(CNC(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])O2)cn1 O=C([O-])[*:1] Cc1ccc(cn1)CNC(=O)NC[C@@H]1CC[C@@H](O1)[*:1]
Cc1ccc(CNC(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])O2)cn1 Cc1ccc(cn1)[*:1] O=C(NC[C@@H]1CC[C@H](O1)C(=O)[O-])NC[*:1]
CCCN[C@]1(C#N)CCC[C@H]1CCSc1nnc(C)s1 Cc1nnc(s1)[*:1] CCCN[C@]1(C#N)CCC[C@H]1CCS[*:1]
CCCN[C@]1(C#N)CCC[C@H]1CCSc1nnc(C)s1 CCCN[*:1] Cc1nnc(SCC[C@@H]2CCC[C@]2(C#N)[*:1])s1
CCCN[C@]1(C#N)CCC[C@H]1CCSc1nnc(C)s1 CCC[*:1] Cc1nnc(SCC[C@@H]2CCC[C@@]2(C#N)N[*:1])s1
COc1ccc(CNC(=O)CSc2ccccc2Cl)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)CNC(=O)CS[*:1]
CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)NCc1ccccc1)C2 c1ccc(cc1)[*:1] CCN(CC)c1ncc2C[C@@H](CCc2n1)C(=O)NC[*:1]
CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)NCc1ccccc1)C2 c1ccc(cc1)C[*:1] CCN(CC)c1ncc2C[C@@H](CCc2n1)C(=O)N[*:1]
CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)NCc1ccccc1)C2 CCN(CC)[*:1] O=C(NCc1ccccc1)[C@@H]1CCc2nc(ncc2C1)[*:1]
Cc1ccccc1-c1noc(CN(C)[C@H](C)c2nc3ccccc3s2)n1 Cc1ccccc1[*:1] C[C@H](c1nc2ccccc2s1)N(C)Cc1nc(no1)[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 CN(C)[*:1] O=C(CCC(=O)N1CCC(=N1)c1ccccc1)Nc1cc(Cl)ccc1[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 c1ccc(cc1)[*:1] CN(C)c1ccc(Cl)cc1NC(=O)CCC(=O)N1CCC(=N1)[*:1]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1cc(C)oc1C O=[N+]([O-])[*:1] COc1ccc(cc1S(=O)(=O)N[C@H](C)c1cc(C)oc1C)[*:1]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] COc1ccc(cc1S(=O)(=O)N[C@H](C)[*:1])[N+](=O)[O-]
CC[C@H]1CN(C(=O)c2cc(C)ccc2N2CCCC2=O)C[C@@H](C)O1 O=C1CCCN1[*:1] CC[C@H]1CN(C[C@@H](C)O1)C(=O)c1cc(C)ccc1[*:1]
CC[C@H](C(=O)N(C)C[C@@H](C)C(=O)NC)N1CCCC1=O CNC(=O)[*:1] CC[C@H](C(=O)N(C)C[C@@H](C)[*:1])N1CCCC1=O
CC[C@H](C(=O)N(C)C[C@@H](C)C(=O)NC)N1CCCC1=O O=C1CCCN1[*:1] CC[C@H](C(=O)N(C)C[C@@H](C)C(=O)NC)[*:1]
CC[C@H](C(=O)N(C)C[C@@H](C)C(=O)NC)N1CCCC1=O CNC(=O)[C@H](C)[*:1] CC[C@H](C(=O)N(C)C[*:1])N1CCCC1=O
CC[C@@H](C)Nc1ncnc2sc3c(c12)CCCC3 CC[C@@H](C)[*:1] c1nc(N[*:1])c2c3CCCCc3sc2n1
CC[C@@H](C)Nc1ncnc2sc3c(c12)CCCC3 CC[C@@H](C)N[*:1] c1nc(c2c3CCCCc3sc2n1)[*:1]
C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)Cc1ccc(cc1Cl)[N+](=O)[O-])[*:1]
C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)s1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)Cc1ccc(cc1Cl)[*:1])c1ccc(Cl)s1
Cc1nc(C2(NC(=O)CCc3c(F)cccc3F)CCCCCC2)no1 Fc1cccc(F)c1[*:1] Cc1nc(no1)C1(CCCCCC1)NC(=O)CC[*:1]
Cc1nc(C2(NC(=O)CCc3c(F)cccc3F)CCCCCC2)no1 Cc1nc(no1)[*:1] O=C(CCc1c(F)cccc1F)NC1(CCCCCC1)[*:1]
CC[C@H](CC[NH3+])NC(=O)[C@]1(C)CCCO1 [NH3+]CC[*:1] CC[C@H](NC(=O)[C@]1(C)CCCO1)[*:1]
CC(=O)[C@@](C)(C#N)Cc1nccs1 CC(=O)[*:1] C[C@@](C#N)(Cc1nccs1)[*:1]
Nc1nccnc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 Nc1nccnc1[*:1] O=C(Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)[*:1]
O=c1c2oc3ccccc3c2ncn1C/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 FC(F)(F)[*:1] O=c1c2oc3ccccc3c2ncn1C/C([O-])=N/c1nc(n[nH]1)[*:1]
Cc1ccc(N2C(=O)CS/C2=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)N1C(=O)CS/C1=C(/C#N)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(N2C(=O)CS/C2=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 Cc1ccc(cc1)[*:1] N#C/C(C(=O)Nc1cccc(c1)C(F)(F)F)=C1/SCC(=O)N1[*:1]
CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2cncc(C)c2)C(C)C)cc1 CC[C@H](C)[*:1] Cc1cncc(c1)NC(=O)C(=O)N[C@H](c1ccc(cc1)[*:1])C(C)C
CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2cncc(C)c2)C(C)C)cc1 CC(C)[*:1] CC[C@H](C)c1ccc(cc1)[C@@H](NC(=O)C(=O)Nc1cncc(C)c1)[*:1]
CC[C@H](C)c1ccc([C@@H](NC(=O)C(=O)Nc2cncc(C)c2)C(C)C)cc1 Cc1cncc(c1)[*:1] CC[C@H](C)c1ccc(cc1)[C@@H](NC(=O)C(=O)N[*:1])C(C)C
COc1cc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1OC O=[N+]([O-])[*:1] COc1cc(cc(OC)c1OC)C(=O)/C=C/c1cccc(c1)[*:1]
Cn1c([C@@H](C#N)C(=O)c2ccc(-n3cccc3)nc2)nc2ccccc21 c1ccn(c1)[*:1] Cn1c(nc2ccccc21)[C@@H](C#N)C(=O)c1ccc(nc1)[*:1]
Fc1ccc(C[NH+](Cc2nnnn2-c2ccccc2)C2CCCCC2)cc1 Fc1ccc(cc1)C[*:1] c1ccc(cc1)-n1nnnc1C[NH+](C1CCCCC1)[*:1]
Fc1ccc(C[NH+](Cc2nnnn2-c2ccccc2)C2CCCCC2)cc1 Fc1ccc(cc1)[*:1] c1ccc(cc1)-n1nnnc1C[NH+](C[*:1])C1CCCCC1
Fc1ccc(C[NH+](Cc2nnnn2-c2ccccc2)C2CCCCC2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)C[NH+](Cc1nnnn1[*:1])C1CCCCC1
Cn1cnc(CNC(=O)NCCC[NH+](C)C2CCCCC2)n1 Cn1cnc(C[*:1])n1 C[NH+](CCCNC(=O)N[*:1])C1CCCCC1
Cn1cnc(CNC(=O)NCCC[NH+](C)C2CCCCC2)n1 Cn1cnc(n1)[*:1] C[NH+](CCCNC(=O)NC[*:1])C1CCCCC1
Cn1cnc(CNC(=O)NCCC[NH+](C)C2CCCCC2)n1 C1CCC(CC1)[*:1] Cn1cnc(CNC(=O)NCCC[NH+](C)[*:1])n1
C=C(C)Cn1c(C[NH2+]C(C)(C)C)cc2ccccc21 C=C(C)C[*:1] CC(C)(C)[NH2+]Cc1cc2ccccc2n1[*:1]
C=C(C)Cn1c(C[NH2+]C(C)(C)C)cc2ccccc21 C=C(C)[*:1] CC(C)(C)[NH2+]Cc1cc2ccccc2n1C[*:1]
C=C(C)Cn1c(C[NH2+]C(C)(C)C)cc2ccccc21 CC(C)(C)[*:1] C=C(C)Cn1c(cc2ccccc21)C[NH2+][*:1]
O=C(NCCCOC(=O)c1ccccc1Cl)c1ccncc1 Clc1ccccc1[*:1] O=C(NCCCOC(=O)[*:1])c1ccncc1
O=C(NCCCOC(=O)c1ccccc1Cl)c1ccncc1 c1cc(ccn1)[*:1] O=C(OCCCNC(=O)[*:1])c1ccccc1Cl
O=C(Nc1ccc(Cl)cc1)C1CCN(c2ccc(-n3cccc3)cn2)CC1 c1ccn(c1)[*:1] O=C(Nc1ccc(Cl)cc1)C1CCN(CC1)c1ccc(cn1)[*:1]
O=C(Nc1ccc(Cl)cc1)C1CCN(c2ccc(-n3cccc3)cn2)CC1 Clc1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(cn1)-n1cccc1
Cc1ccc2nc(C)c(C(=O)NNC(=O)c3ccc(C#N)cc3)cc2c1 N#Cc1ccc(cc1)[*:1] Cc1ccc2nc(C)c(cc2c1)C(=O)NNC(=O)[*:1]
CSc1ccccc1NC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 CSc1ccccc1[*:1] CS(=O)(=O)N1CCC(CC1)CNC(=O)C(=O)N[*:1]
CC(C)c1nc(C(=O)N2CCCCC2)n[nH]1 CC(C)[*:1] O=C(c1n[nH]c(n1)[*:1])N1CCCCC1
C[NH2+][C@]1(C(=O)[O-])CCC[C@H](Oc2ccc(C)cc2)C1 O=C([O-])[*:1] C[NH2+][C@@]1(CCC[C@@H](C1)Oc1ccc(C)cc1)[*:1]
Cc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)s1 Cc1ccc(s1)[*:1] O=C(Nc1cccc(c1)OC[C@@H]1CCCO1)[*:1]
Cc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)s1 C1CO[C@@H](C1)[*:1] Cc1ccc(s1)C(=O)Nc1cccc(c1)OC[*:1]
Cc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)s1 C1CO[C@@H](C1)C[*:1] Cc1ccc(s1)C(=O)Nc1cccc(c1)O[*:1]
Cc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)s1 C1CO[C@@H](C1)CO[*:1] Cc1ccc(s1)C(=O)Nc1cccc(c1)[*:1]
O=C(Cn1cncn1)N/N=C/C1=c2ccccc2=[NH+]C1 c1ncn(C[*:1])n1 O=C(N/N=C/C1C[NH+]=c2ccccc2=1)[*:1]
O=C(Cn1cncn1)N/N=C/C1=c2ccccc2=[NH+]C1 c1ncn(n1)[*:1] O=C(C[*:1])N/N=C/C1C[NH+]=c2ccccc2=1
C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)[*:1]
C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C[*:1]
Cc1nnc(N2CCC[C@H](C(=O)N3CCC4(CC3)OCCO4)C2)c2nn(-c3ccccc3)c(C)c12 c1ccc(cc1)[*:1] Cc1nnc(c2nn(c(C)c12)[*:1])N1CCC[C@@H](C1)C(=O)N1CCC2(CC1)OCCO2
O=c1c2c3nc4ccccc4nc3n(-c3cccc(C(F)(F)F)c3)c2ncn1C[C@@H]1CCCO1 FC(F)(F)[*:1] O=c1c2c3nc4ccccc4nc3n(-c3cccc(c3)[*:1])c2ncn1C[C@@H]1CCCO1
O=c1c2c3nc4ccccc4nc3n(-c3cccc(C(F)(F)F)c3)c2ncn1C[C@@H]1CCCO1 FC(F)(F)c1cccc(c1)[*:1] O=c1c2c3nc4ccccc4nc3n(c2ncn1C[C@@H]1CCCO1)[*:1]
COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl COCC[*:1] Cn1c(=O)c2c(nc(NC[*:1])n2Cc2c(Cl)cccc2Cl)n(C)c1=O
COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl COCCC[*:1] Cn1c(=O)c2c(nc(N[*:1])n2Cc2c(Cl)cccc2Cl)n(C)c1=O
COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl COC[*:1] Cn1c(=O)c2c(nc(NCC[*:1])n2Cc2c(Cl)cccc2Cl)n(C)c1=O
COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl COCCCN[*:1] Cn1c(=O)c2c(nc(n2Cc2c(Cl)cccc2Cl)[*:1])n(C)c1=O
COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl Clc1cccc(Cl)c1C[*:1] COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
CCOC(=O)Nc1ccc(C(=O)N(C)CC2=NC(=O)[C@@H]3SC=CC3=N2)cc1 CCOC(=O)N[*:1] CN(CC1=NC(=O)[C@@H]2SC=CC2=N1)C(=O)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)CSc1nc2[nH]c(=O)cc([O-])c2s1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(CSc1nc2[nH]c(=O)cc([O-])c2s1)N[*:1]
C[C@@H](NC(=O)CSc1nc2[nH]c(=O)cc([O-])c2s1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nc2[nH]c(=O)cc([O-])c2s1)[*:1]
C[NH+](CCNc1nc(Br)cs1)C1CCCC1 C1CCC(C1)[*:1] C[NH+](CCNc1nc(Br)cs1)[*:1]
C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1F O=C1CCCN1[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1ccc(F)cc1F
COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C)c1 O=C([O-])[*:1] COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2[*:1])c(C)c1
COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C)c1 COC(=O)[*:1] Cc1cc(ccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])[*:1]
N#CC1(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)CCCCC1 N#CC1(CCCCC1)[*:1] O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)N[*:1]
O=C(CSCC1CC1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 C1CC1CSC[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1Cc1ccccc1
O=C(CSCC1CC1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 C1CC1CS[*:1] O=C(C[*:1])N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1
O=C(CSCC1CC1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 C1CC1C[*:1] O=C(CS[*:1])N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1
O=C(CSCC1CC1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 c1ccc(cc1)[*:1] O=C(CSCC1CC1)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
O=C(CSCC1CC1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 C1CC1[*:1] O=C(CSC[*:1])N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1
O=C(CSCC1CC1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 c1ccc(cc1)C[*:1] O=C(CSCC1CC1)N1CCC2(CCC(=O)N(C2)[*:1])CC1
CO[C@@H]1CC[C@@H]2OCCN(Cc3cccc(-c4ccccc4F)c3)[C@@H]2C1 Fc1ccccc1[*:1] CO[C@@H]1CC[C@@H]2OCCN(Cc3cccc(c3)[*:1])[C@@H]2C1
COC(=O)[C@@H](c1ccccc1Cl)[NH+]1CCN(c2nc3cc(C)nn3c3ccccc23)CC1 COC(=O)[*:1] Cc1cc2nc(c3ccccc3n2n1)N1CC[NH+](CC1)[C@H](c1ccccc1Cl)[*:1]
COC(=O)[C@@H](c1ccccc1Cl)[NH+]1CCN(c2nc3cc(C)nn3c3ccccc23)CC1 Clc1ccccc1[*:1] COC(=O)[C@@H]([NH+]1CCN(CC1)c1nc2cc(C)nn2c2ccccc12)[*:1]
COc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1C COc1ccc(cc1C)[*:1] O=S(=O)(N1CCN(CC1)c1cc(ncn1)-c1ccccc1)[*:1]
COc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1C c1ccc(cc1)[*:1] COc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)c1cc(ncn1)[*:1]
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])S(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1
O=C(CCc1nc(-c2ccco2)no1)N(CC1CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1nc(no1)-c1ccco1)N(CC1CC1)[*:1]
O=C(CCc1nc(-c2ccco2)no1)N(CC1CC1)c1ccccc1 C1CC1C[*:1] O=C(CCc1nc(no1)-c1ccco1)N(c1ccccc1)[*:1]
O=C(CCc1nc(-c2ccco2)no1)N(CC1CC1)c1ccccc1 c1coc(c1)[*:1] O=C(CCc1nc(no1)[*:1])N(CC1CC1)c1ccccc1
O=C(CCc1nc(-c2ccco2)no1)N(CC1CC1)c1ccccc1 C1CC1[*:1] O=C(CCc1nc(no1)-c1ccco1)N(C[*:1])c1ccccc1
CC(=O)Nc1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)c1 CC(=O)N[*:1] NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)c1 NC(=O)[*:1] CC(=O)Nc1cccc(c1)C(=O)N1Cc2ccccc2C[C@H]1[*:1]
O=[N+]([O-])c1cccnc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 O=[N+]([O-])[*:1] c1cnc(c(c1)[*:1])N1CCC[C@H](C1)c1nc2ccccc2[nH]1
Cc1ncsc1C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1 Cc1ncsc1[*:1] CC(C)(C)c1ccc(cc1)Cn1nccc1NC(=O)[*:1]
Cc1ncsc1C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ncsc1C(=O)Nc1ccnn1Cc1ccc(cc1)[*:1]
CCc1nnsc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 O[C@@H]1CCC[C@@H]1[*:1] CCc1nnsc1C(=O)N1CCN(CC1)[*:1]
CCc1nnsc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 CCc1nnsc1[*:1] O=C(N1CCN(CC1)[C@H]1CCC[C@H]1O)[*:1]
CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cccn1 c1cnn(c1)C[*:1] CN(C[C@H]1COc2ccccc2O1)C(=O)[*:1]
CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cccn1 c1cnn(c1)[*:1] CN(C[C@H]1COc2ccccc2O1)C(=O)C[*:1]
CCC[C@H](C)CC(=O)Nc1cnn(CC(C)C)c1 CCC[C@H](C)C[*:1] CC(C)Cn1cc(cn1)NC(=O)[*:1]
CCC[C@H](C)CC(=O)Nc1cnn(CC(C)C)c1 CCC[*:1] CC(C)Cn1cc(cn1)NC(=O)C[C@@H](C)[*:1]
CCC[C@H](C)CC(=O)Nc1cnn(CC(C)C)c1 CCC[C@H](C)[*:1] CC(C)Cn1cc(cn1)NC(=O)C[*:1]
CCC[C@H](C)CC(=O)Nc1cnn(CC(C)C)c1 CC(C)[*:1] CCC[C@H](C)CC(=O)Nc1cnn(c1)C[*:1]
CCC[C@H](C)CC(=O)Nc1cnn(CC(C)C)c1 CC(C)C[*:1] CCC[C@H](C)CC(=O)Nc1cnn(c1)[*:1]
CCc1c(C(=O)Cn2ccc(-c3ccc(F)cc3)n2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)Cn1ccc(n1)-c1ccc(F)cc1
CCc1c(C(=O)Cn2ccc(-c3ccc(F)cc3)n2)[nH]c(C)c1C(C)=O Fc1ccc(cc1)[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)Cn1ccc(n1)[*:1]
O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 FC(F)(F)c1ccccc1[*:1] O=C(N[*:1])c1ccc(cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnc(-c2ncccn2)s1 c1cnc(nc1)[*:1] Cc1ccc(c(C)c1NC(=O)c1cnc(s1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cnc(-c2ncccn2)s1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)c1cnc(s1)-c1ncccn1)[*:1]
Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C2=O)c2cccc(Br)c2)c(c1)[*:1]
Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c([N+](=O)[O-])c1 Brc1cccc(c1)[*:1] Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(C2=O)[*:1])c(c1)[N+](=O)[O-]
CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 CCO[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC[C@@H]1c1ccc(Cl)cc1
CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1[*:1]
CC1(C)CCCC[C@@H]1NC(=O)Cn1cc(N)cn1 Nc1cnn(c1)[*:1] CC1(C)CCCC[C@@H]1NC(=O)C[*:1]
COc1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c2ccccc12 c1ccn2c(nnc2c1)[*:1] COc1ccc(C(=O)N2CCC(CC2)[*:1])c2ccccc12
CNC(=O)Cc1ccccc1NC(=O)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C CC(C)[*:1] CNC(=O)Cc1ccccc1NC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1[*:1]
CNC(=O)Cc1ccccc1NC(=O)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C CNC(=O)[*:1] CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)Nc1ccccc1C[*:1]
CNC(=O)Cc1ccccc1NC(=O)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C CNC(=O)C[*:1] CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)Nc1ccccc1[*:1]
Cc1ccc(C(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])OCc1c(F)cccc1Cl
CC(C)(C)CNc1c(F)c(F)nc(F)c1F CC(C)(C)C[*:1] Fc1nc(F)c(F)c(N[*:1])c1F
CC(C)(C)CNc1c(F)c(F)nc(F)c1F CC(C)(C)[*:1] Fc1nc(F)c(F)c(NC[*:1])c1F
Cc1cccc(-n2ncc3c(=O)n(Cc4ccccc4Cl)cnc32)c1C Cc1cccc(c1C)[*:1] O=c1c2cnn(c2ncn1Cc1ccccc1Cl)[*:1]
Cc1cccc(-n2ncc3c(=O)n(Cc4ccccc4Cl)cnc32)c1C Clc1ccccc1[*:1] Cc1cccc(c1C)-n1ncc2c(=O)n(cnc21)C[*:1]
Cc1cccc(-n2ncc3c(=O)n(Cc4ccccc4Cl)cnc32)c1C Clc1ccccc1C[*:1] Cc1cccc(c1C)-n1ncc2c(=O)n(cnc21)[*:1]
CO[C@@H](C)C(=O)NCc1ccc(OC2CCCC2)nc1 CO[C@@H](C)[*:1] O=C(NCc1ccc(nc1)OC1CCCC1)[*:1]
CO[C@@H](C)C(=O)NCc1ccc(OC2CCCC2)nc1 C1CCC(C1)[*:1] CO[C@@H](C)C(=O)NCc1ccc(nc1)O[*:1]
CO[C@@H](C)C(=O)NCc1ccc(OC2CCCC2)nc1 C1CCC(C1)O[*:1] CO[C@@H](C)C(=O)NCc1ccc(nc1)[*:1]
N#Cc1ccc(NNC(=O)c2ccnc(OC3CCCCC3)c2)cc1 C1CCC(CC1)O[*:1] N#Cc1ccc(cc1)NNC(=O)c1ccnc(c1)[*:1]
N#Cc1ccc(NNC(=O)c2ccnc(OC3CCCCC3)c2)cc1 C1CCC(CC1)[*:1] N#Cc1ccc(cc1)NNC(=O)c1ccnc(c1)O[*:1]
N#Cc1ccc(NNC(=O)c2ccnc(OC3CCCCC3)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NN[*:1])c1ccnc(c1)OC1CCCCC1
CC(C)Oc1cccc([C@H](C)NC(=O)NCc2ncn(C)n2)c1 Cn1cnc(n1)[*:1] CC(C)Oc1cccc(c1)[C@H](C)NC(=O)NC[*:1]
CC(C)Oc1cccc([C@H](C)NC(=O)NCc2ncn(C)n2)c1 CC(C)O[*:1] C[C@H](NC(=O)NCc1ncn(C)n1)c1cccc(c1)[*:1]
CC(C)Oc1cccc([C@H](C)NC(=O)NCc2ncn(C)n2)c1 CC(C)[*:1] C[C@H](NC(=O)NCc1ncn(C)n1)c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@H](C)NC(=O)NCc2ncn(C)n2)c1 Cn1cnc(C[*:1])n1 CC(C)Oc1cccc(c1)[C@H](C)NC(=O)N[*:1]
CSC[C@@H](CCO)NC(=O)Nc1nc(C2CC2)cs1 CSC[*:1] O=C(Nc1nc(cs1)C1CC1)N[C@H](CCO)[*:1]
CSC[C@@H](CCO)NC(=O)Nc1nc(C2CC2)cs1 C1CC1[*:1] CSC[C@@H](CCO)NC(=O)Nc1nc(cs1)[*:1]
CSC[C@@H](CCO)NC(=O)Nc1nc(C2CC2)cs1 OCC[*:1] CSC[C@@H](NC(=O)Nc1nc(cs1)C1CC1)[*:1]
CN(CC1=NC(=O)C2=C3CCC[C@@H]3SC2=N1)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] CN(CC1=NC(=O)C2C(=N1)S[C@H]1CCCC=21)[*:1]
CN(CC1=NC(=O)C2=C3CCC[C@@H]3SC2=N1)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] CN(CC1=NC(=O)C2C(=N1)S[C@H]1CCCC=21)C[*:1]
CC(=O)N1CCC(CCNC(=O)c2ccnc(OC3CCC3)c2)CC1 C1CC(C1)O[*:1] CC(=O)N1CCC(CCNC(=O)c2ccnc(c2)[*:1])CC1
CC(=O)N1CCC(CCNC(=O)c2ccnc(OC3CCC3)c2)CC1 C1CC(C1)[*:1] CC(=O)N1CCC(CCNC(=O)c2ccnc(c2)O[*:1])CC1
CC(C)(C)NS(=O)(=O)c1ccccc1/C=C/C=O CC(C)(C)[*:1] O=C/C=C/c1ccccc1S(=O)(=O)N[*:1]
CC(C)(C)NS(=O)(=O)c1ccccc1/C=C/C=O O=CC=C[*:1] CC(C)(C)NS(=O)(=O)c1ccccc1[*:1]
CCN(Cc1cccs1)C(=O)c1n[nH]c(C(C)C)n1 CC(C)[*:1] CCN(Cc1cccs1)C(=O)c1n[nH]c(n1)[*:1]
CCN(Cc1cccs1)C(=O)c1n[nH]c(C(C)C)n1 c1csc(c1)C[*:1] CCN(C(=O)c1n[nH]c(n1)C(C)C)[*:1]
CCN(Cc1cccs1)C(=O)c1n[nH]c(C(C)C)n1 c1csc(c1)[*:1] CCN(C[*:1])C(=O)c1n[nH]c(n1)C(C)C
Cc1cc(N2CCCN(c3nccs3)CC2)nc(N)[nH+]1 c1csc(n1)[*:1] Cc1cc(nc(N)[nH+]1)N1CCCN(CC1)[*:1]
Cc1ccc(C(=O)N2C[C@@H](C)[C@](O)(C3CCC3)C2)cc1N1CCNC1=O C1CC(C1)[*:1] Cc1ccc(cc1N1CCNC1=O)C(=O)N1C[C@@H](C)[C@](O)(C1)[*:1]
Cc1ccc(C(=O)N2C[C@@H](C)[C@](O)(C3CCC3)C2)cc1N1CCNC1=O O=C1NCCN1[*:1] Cc1ccc(cc1[*:1])C(=O)N1C[C@@H](C)[C@@](O)(C1)C1CCC1
CCC1(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)CCC1 CCC1(CCC1)C[*:1] O=C(N[*:1])C1(CCOCC1)c1cccc(c1)C(F)(F)F
CCC1(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)CCC1 FC(F)(F)[*:1] CCC1(CCC1)CNC(=O)C1(CCOCC1)c1cccc(c1)[*:1]
CCC1(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])C1(CCOCC1)c1cccc(c1)C(F)(F)F
Cc1cccc(OCCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 Cc1cccc(c1)[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)NCCCO[*:1]
Cc1cccc(OCCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 Cc1cccc(c1)O[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)NCCC[*:1]
CN(C)C(=O)CNc1ccccc1C(N)=S NC(=S)[*:1] CN(C)C(=O)CNc1ccccc1[*:1]
CN(C)C(=O)CNc1ccccc1C(N)=S CN(C)C(=O)[*:1] NC(=S)c1ccccc1NC[*:1]
CCCCC(=O)Nc1cc2oc3ccccc3c2cc1OC CCCCC(=O)N[*:1] COc1cc2c(cc1[*:1])oc1ccccc12
CCCCC(=O)Nc1cc2oc3ccccc3c2cc1OC CCCC[*:1] COc1cc2c(cc1NC(=O)[*:1])oc1ccccc12
CCCCC(=O)Nc1cc2oc3ccccc3c2cc1OC CCC[*:1] COc1cc2c(cc1NC(=O)C[*:1])oc1ccccc12
CC(C)Nc1cc(-c2ccccc2)nc2ncnn12 CC(C)[*:1] c1ccc(cc1)-c1cc(N[*:1])n2ncnc2n1
CC(C)Nc1cc(-c2ccccc2)nc2ncnn12 CC(C)N[*:1] c1ccc(cc1)-c1cc(n2ncnc2n1)[*:1]
CC(C)Nc1cc(-c2ccccc2)nc2ncnn12 c1ccc(cc1)[*:1] CC(C)Nc1cc(nc2ncnn12)[*:1]
CCN(CC)C(=O)N1CCN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CC1 c1csc(c1)[*:1] CCN(CC)C(=O)N1CCN(CC1)Cn1nc(n(c1=S)C1CC1)[*:1]
CCN(CC)C(=O)N1CCN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CC1 C1CC1[*:1] CCN(CC)C(=O)N1CCN(CC1)Cn1nc(-c2cccs2)n(c1=S)[*:1]
COc1ccnc(N2CCC[C@@H]2Cn2cncn2)n1 c1ncn(C[*:1])n1 COc1ccnc(n1)N1CCC[C@H]1[*:1]
COc1ccnc(N2CCC[C@@H]2Cn2cncn2)n1 c1ncn(n1)[*:1] COc1ccnc(n1)N1CCC[C@@H]1C[*:1]
COc1ccccc1NC(=O)Cn1cnc2onc(-c3ccccc3F)c2c1=O COc1ccccc1[*:1] O=C(Cn1cnc2onc(-c3ccccc3F)c2c1=O)N[*:1]
COc1ccccc1NC(=O)Cn1cnc2onc(-c3ccccc3F)c2c1=O Fc1ccccc1[*:1] COc1ccccc1NC(=O)Cn1cnc2onc(c2c1=O)[*:1]
Cc1cncc(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c1 CC(C)C(=O)N(C)C[*:1] Cc1cncc(c1)NC(=O)c1ccc(cc1)[*:1]
Cc1cncc(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c1 CC(C)[*:1] Cc1cncc(c1)NC(=O)c1ccc(cc1)CN(C)C(=O)[*:1]
Cc1cncc(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c1 Cc1cncc(c1)[*:1] CC(C)C(=O)N(C)Cc1ccc(cc1)C(=O)N[*:1]
Cc1cncc(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c1 CC(C)C(=O)N(C)[*:1] Cc1cncc(c1)NC(=O)c1ccc(cc1)C[*:1]
Cc1ccc(CCC(=O)Nc2ccc3[nH]nnc3c2)o1 Cc1ccc(o1)[*:1] O=C(CC[*:1])Nc1ccc2[nH]nnc2c1
COc1ccc(-c2cc(N3CCN(C(=O)COc4ccccc4Cl)CC3)ncn2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-c1cc(ncn1)N1CCN(CC1)C(=O)CO[*:1]
COc1ccc(-c2cc(N3CCN(C(=O)COc4ccccc4Cl)CC3)ncn2)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccccc1Cl)N1CCN(CC1)c1cc(ncn1)[*:1]
COc1ccc(-c2cc(N3CCN(C(=O)COc4ccccc4Cl)CC3)ncn2)cc1 Clc1ccccc1O[*:1] COc1ccc(cc1)-c1cc(ncn1)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(-c2cc(N3CCN(C(=O)COc4ccccc4Cl)CC3)ncn2)cc1 Clc1ccccc1OC[*:1] COc1ccc(cc1)-c1cc(ncn1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1OC C1CCc2nnc(n2CC1)[*:1] COc1ccc(cc1OC)CCC(=O)Nc1cccc(c1)[*:1]
COc1ccc(CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1OC COc1ccc(cc1OC)[*:1] O=C(CC[*:1])Nc1cccc(c1)-c1nnc2CCCCCn21
COc1ccc(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)C1=NS(=O)(=O)c2ccccc21
COc1ccc(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)C1=NS(=O)(=O)c2ccccc21
Cc1oc(-c2ccccc2)nc1Cn1c(=O)oc2ccccc21 c1ccc(cc1)[*:1] Cc1oc(nc1Cn1c(=O)oc2ccccc21)[*:1]
Cn1cnc(S(=O)(=O)NCc2ccsc2)c1Cl c1cc(cs1)[*:1] Cn1cnc(c1Cl)S(=O)(=O)NC[*:1]
Cc1ccc(CN2C[C@@H](C(=O)N[C@H](c3ccccc3)c3ccccn3)CC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)N[C@H](c1ccccn1)[*:1]
Cc1ccc(CN2C[C@@H](C(=O)N[C@H](c3ccccc3)c3ccccn3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(CN2C[C@@H](C(=O)N[C@H](c3ccccc3)c3ccccn3)CC2=O)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)N[C@H](c1ccccc1)[*:1]
Cc1ccc(CN2C[C@@H](C(=O)N[C@H](c3ccccc3)c3ccccn3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1CC(=O)N(C1)[*:1]
O=C(CCc1ccccn1)C1CC1 C1CC1[*:1] O=C(CCc1ccccn1)[*:1]
Cc1ccccc1Nc1nc(N)c(C(=O)c2c[nH]c3ccccc23)s1 Cc1ccccc1N[*:1] Nc1nc(sc1C(=O)c1c[nH]c2ccccc12)[*:1]
Cc1ccccc1Nc1nc(N)c(C(=O)c2c[nH]c3ccccc23)s1 Cc1ccccc1[*:1] Nc1nc(N[*:1])sc1C(=O)c1c[nH]c2ccccc12
CO[C@H]1CCCC[C@H]1NC(=O)C/C=C/c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CO[C@H]1CCCC[C@H]1NC(=O)CC=C[*:1]
O=C1C[C@@H](c2ccc(F)cc2)c2c(c3ccccc3oc2=O)O1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](c2c(O1)c1ccccc1oc2=O)[*:1]
COc1ccc2c(c1)[C@@H]([NH2+]CCn1ccnc1)CC2 c1cn(cn1)[*:1] COc1ccc2CC[C@H]([NH2+]CC[*:1])c2c1
COc1ccc2c(c1)[C@@H]([NH2+]CCn1ccnc1)CC2 c1cn(cn1)C[*:1] COc1ccc2CC[C@H]([NH2+]C[*:1])c2c1
CNC(=O)NCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 CNC(=O)NC[*:1] O=C(N1CCC[C@@H](C1)C[NH+]1CCCCCC1)[*:1]
CNC(=O)NCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 CNC(=O)N[*:1] O=C(C[*:1])N1CCC[C@@H](C1)C[NH+]1CCCCCC1
CCn1nc(C)c(NC(=O)N2CCO[C@H](c3ccccc3F)C2)c1C Fc1ccccc1[*:1] CCn1nc(C)c(NC(=O)N2CCO[C@H](C2)[*:1])c1C
CCOc1cc(C(=O)Nc2cncc(C)c2)ccn1 CCO[*:1] Cc1cncc(c1)NC(=O)c1ccnc(c1)[*:1]
Cc1c(NC(=O)c2ccccc2Cn2cncn2)cccc1C(N)=O c1ncn(n1)[*:1] Cc1c(cccc1C(N)=O)NC(=O)c1ccccc1C[*:1]
Cc1c(NC(=O)c2ccccc2Cn2cncn2)cccc1C(N)=O c1ncn(C[*:1])n1 Cc1c(cccc1C(N)=O)NC(=O)c1ccccc1[*:1]
Cc1c(NC(=O)c2ccccc2Cn2cncn2)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccccc1Cn1cncn1
CSC[C@@H](C)N(C)C(=O)Nc1ccn(C)n1 CSC[C@@H](C)[*:1] CN(C(=O)Nc1ccn(C)n1)[*:1]
CSC[C@@H](C)N(C)C(=O)Nc1ccn(C)n1 CSC[*:1] C[C@@H](N(C)C(=O)Nc1ccn(C)n1)[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@@H]2C(N)=O)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@H]1[*:1]
Cc1ccc(SCCNC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1 Cc1ccc(cc1)SCC[*:1] O=C(N[*:1])c1cccc(c1)CN1C(=O)c2ccccc2C1=O
Cc1ccc(SCCNC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1 Cc1ccc(cc1)S[*:1] O=C(NCC[*:1])c1cccc(c1)CN1C(=O)c2ccccc2C1=O
Cc1ccc(SCCNC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCS[*:1])c1cccc(c1)CN1C(=O)c2ccccc2C1=O
Cc1ccc(SCCNC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)cc1 Cc1ccc(cc1)SC[*:1] O=C(NC[*:1])c1cccc(c1)CN1C(=O)c2ccccc2C1=O
Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)no1 Cc1cc(no1)[*:1] O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N[*:1]
CCOC(=O)[C@@H]1C(=N)/C(=C\c2cccnc2)C2=C(C(=O)OC)S[C@@H](c3cccnc3)C(=O)N21 CCOC(=O)[*:1] COC(=O)C1S[C@H](C(=O)N2C=1/C(=C/c1cccnc1)C(=N)[C@H]2[*:1])c1cccnc1
CCOC(=O)[C@@H]1C(=N)/C(=C\c2cccnc2)C2=C(C(=O)OC)S[C@@H](c3cccnc3)C(=O)N21 c1cncc(c1)[*:1] CCOC(=O)[C@@H]1C(=N)/C(=C\c2cccnc2)C2=C(S[C@@H](C(=O)N21)[*:1])C(=O)OC
CCOC(=O)[C@@H]1C(=N)/C(=C\c2cccnc2)C2=C(C(=O)OC)S[C@@H](c3cccnc3)C(=O)N21 c1cncc(c1)[*:1] CCOC(=O)[C@@H]1C(=N)C(=C[*:1])C2=C(S[C@H](C(=O)N21)c1cccnc1)C(=O)OC
CCOC(=O)[C@@H]1C(=N)/C(=C\c2cccnc2)C2=C(C(=O)OC)S[C@@H](c3cccnc3)C(=O)N21 COC(=O)[*:1] CCOC(=O)[C@@H]1C(=N)/C(=C\c2cccnc2)C2=C(S[C@H](C(=O)N21)c1cccnc1)[*:1]
Cc1ccc(NC(=[NH2+])Nc2nc(C)c(Cc3ccccc3)c(O)n2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)NC(=[NH2+])Nc1nc(C)c(c(O)n1)[*:1]
Cc1ccc(NC(=[NH2+])Nc2nc(C)c(Cc3ccccc3)c(O)n2)cc1C Cc1ccc(cc1C)[*:1] Cc1nc(nc(O)c1Cc1ccccc1)NC(=[NH2+])N[*:1]
Cc1ccc(NC(=[NH2+])Nc2nc(C)c(Cc3ccccc3)c(O)n2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=[NH2+])Nc1nc(C)c(C[*:1])c(O)n1
COc1cccc(CN(C(=O)[C@H](C)[NH3+])C2CC2)c1 C1CC1[*:1] COc1cccc(c1)CN(C(=O)[C@H](C)[NH3+])[*:1]
CC(C)n1cc2cc(NC(=O)N3CCC[C@@H](C)[C@H]3CO)ccc2n1 CC(C)[*:1] C[C@@H]1CCCN(C(=O)Nc2ccc3nn(cc3c2)[*:1])[C@@H]1CO
CCCN1CCO[C@@H](c2ncc([C@@H](C)Cl)c(C)n2)C1 CCC[*:1] Cc1nc(ncc1[C@@H](C)Cl)[C@H]1CN(CCO1)[*:1]
CCCN1CCO[C@@H](c2ncc([C@@H](C)Cl)c(C)n2)C1 C[C@@H](Cl)[*:1] CCCN1CCO[C@H](C1)c1ncc(c(C)n1)[*:1]
CCCn1cnc2sc(C(=O)Nc3ccc(I)cc3C)c(C)c2c1=O Cc1cc(I)ccc1[*:1] CCCn1cnc2sc(C(=O)N[*:1])c(C)c2c1=O
CCCn1cnc2sc(C(=O)Nc3ccc(I)cc3C)c(C)c2c1=O CCC[*:1] Cc1cc(I)ccc1NC(=O)c1sc2ncn(c(=O)c2c1C)[*:1]
Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCc1cc3ccccc3[nH]1)C2 Fc1ccccc1[*:1] Cn1nc(C(=O)NC[*:1])c2C[C@@H](CCc21)NCc1cc2ccccc2[nH]1
Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCc1cc3ccccc3[nH]1)C2 c1ccc2[nH]c(cc2c1)[*:1] Cn1nc(C(=O)NCc2ccccc2F)c2C[C@@H](CCc21)NC[*:1]
Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCc1cc3ccccc3[nH]1)C2 Fc1ccccc1C[*:1] Cn1nc(C(=O)N[*:1])c2C[C@@H](CCc21)NCc1cc2ccccc2[nH]1
Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCc1cc3ccccc3[nH]1)C2 c1ccc2[nH]c(cc2c1)C[*:1] Cn1nc(C(=O)NCc2ccccc2F)c2C[C@@H](CCc21)N[*:1]
COC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C COC(=O)[*:1] C[C@@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H]([C@@]3(C)CC[C@H]12)[*:1]
O=C1C[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]2CCN1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C(c1ccccc1)N1CC[C@H]2CC(=O)N(CC[C@H]2C1)[*:1]
O=C1C[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]2CCN1Cc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C1C[C@@H]2CCN(C[C@@H]2CCN1Cc1ccc2OCOc2c1)C(=O)[*:1]
O=C1C[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]2CCN1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1C[C@@H]2CCN(C[C@@H]2CCN1C[*:1])C(=O)c1ccccc1
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)/N=c1/[nH]nc(-c2ccoc2)[nH]1 FC(F)(F)[*:1] C[C@@H](Oc1ccccc1[*:1])C(=O)/N=c1/[nH]nc([nH]1)-c1ccoc1
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)/N=c1/[nH]nc(-c2ccoc2)[nH]1 c1cc(co1)[*:1] C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)/N=c1/[nH]nc([nH]1)[*:1]
CN(Cc1ccc2nonc2c1)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 c1ccc2c(c1)ccn2[*:1] CN(Cc1ccc2nonc2c1)C(=O)c1cc(C[*:1])[nH]n1
CN(Cc1ccc2nonc2c1)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 c1cc2nonc2cc1[*:1] CN(C[*:1])C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1
Cc1ccc(N2C(=O)c3ccc(C(=O)n4ccnc4C)cc3C2=O)cc1 Cc1nccn1C(=O)[*:1] Cc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[*:1]
Cc1ccc(N2C(=O)c3ccc(C(=O)n4ccnc4C)cc3C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1nccn1C(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC1=NS(=O)(=O)c2ccccc21)[*:1]
COc1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2OC)c1 COc1cccc(c1)[*:1] COc1ccc(Cl)cc1NC(=O)COC(=O)[*:1]
CCCN(C[C@@H]1COc2ccccc2O1)c1ncnc2ccsc12 CCC[*:1] c1ccc2O[C@@H](COc2c1)CN(c1ncnc2ccsc12)[*:1]
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C(C)(C)[*:1]
Cc1ccccc1Cc1noc(C[NH2+][C@H](C)c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1ccccc1Cc1noc(C[NH2+][C@H](C)[*:1])n1
Cc1ccccc1Cc1noc(C[NH2+][C@H](C)c2ccccc2Cl)n1 Cc1ccccc1[*:1] C[C@@H]([NH2+]Cc1nc(C[*:1])no1)c1ccccc1Cl
Cc1ccccc1Cc1noc(C[NH2+][C@H](C)c2ccccc2Cl)n1 Cc1ccccc1C[*:1] C[C@@H]([NH2+]Cc1nc(no1)[*:1])c1ccccc1Cl
COc1ccc(/C=C\C(=O)/C=C\N(C)C)cc1 CN(C)C=C[*:1] COc1ccc(/C=C\C(=O)[*:1])cc1
COc1ccc(/C=C\C(=O)/C=C\N(C)C)cc1 CN(C)[*:1] COc1ccc(/C=C\C(=O)C=C[*:1])cc1
CCNC(=O)NNC(=O)CCCc1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] CCNC(=O)NNC(=O)CCCc1nc(no1)[*:1]
C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(-c2ncon2)c1 c1nc(no1)[*:1] C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(c1)[*:1]
COc1ccc(F)c(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CC2)c1 Fc1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)N[C@@H](C1CC1)[*:1]
COc1ccc(F)c(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CC2)c1 C1CC1[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
Cn1nc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc2c1=O c1ccc(cc1)[*:1] Cn1nc(C(=O)OCC(=O)N2CCC(=N2)[*:1])c2ccccc2c1=O
O=C(NCCCOC1CCCCC1)Nc1ccc(F)c(F)c1 C1CCC(CC1)O[*:1] O=C(NCCC[*:1])Nc1ccc(F)c(F)c1
O=C(NCCCOC1CCCCC1)Nc1ccc(F)c(F)c1 C1CCC(CC1)[*:1] O=C(NCCCO[*:1])Nc1ccc(F)c(F)c1
CC[NH2+][C@@H](COCC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CCOC[*:1] CC[NH2+][C@@H]([C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC[NH2+][C@@H](COCC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[NH2+][C@@H](COCC)[C@@H]1CCC[C@H](C1)[*:1]
CC[NH2+][C@@H](COCC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CCO[*:1] CC[NH2+][C@@H](C[*:1])[C@@H]1CCC[C@@H](C1)S(C)(=O)=O
Cc1nnc(S[C@H](C)C(=O)Nc2ccc(CC#N)cc2)s1 Cc1nnc(S[*:1])s1 C[C@H](C(=O)Nc1ccc(cc1)CC#N)[*:1]
Cc1nnc(S[C@H](C)C(=O)Nc2ccc(CC#N)cc2)s1 N#CC[*:1] Cc1nnc(S[C@H](C)C(=O)Nc2ccc(cc2)[*:1])s1
Cc1nnc(S[C@H](C)C(=O)Nc2ccc(CC#N)cc2)s1 Cc1nnc(s1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(cc1)CC#N
CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1 Cc1ccc(Cl)cc1[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1 Cc1ccc(Cl)cc1NC(=O)[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1)SC[*:1]
CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H]1CCCN1C(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)[*:1])SCC(=O)Nc1cc(Cl)ccc1C
CCCSc1nnc(N/N=C/c2ccc([N+](=O)[O-])cc2)[nH]1 CCC[*:1] O=[N+]([O-])c1ccc(/C=N/Nc2nnc([nH]2)S[*:1])cc1
CCCSc1nnc(N/N=C/c2ccc([N+](=O)[O-])cc2)[nH]1 O=[N+]([O-])[*:1] CCCSc1nnc(N/N=C/c2ccc(cc2)[*:1])[nH]1
CCCSc1nnc(N/N=C/c2ccc([N+](=O)[O-])cc2)[nH]1 CCCS[*:1] O=[N+]([O-])c1ccc(/C=N/Nc2nnc([nH]2)[*:1])cc1
CCSCCN1CCN([C@H](C#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCSCCN1CCN(CC1)[C@H](C#N)[*:1]
CCSCCN1CCN([C@H](C#N)c2ccccc2)CC1 CCS[*:1] N#C[C@H](c1ccccc1)N1CCN(CC1)CC[*:1]
CCSCCN1CCN([C@H](C#N)c2ccccc2)CC1 CCSC[*:1] N#C[C@H](c1ccccc1)N1CCN(CC1)C[*:1]
CCSCCN1CCN([C@H](C#N)c2ccccc2)CC1 CCSCC[*:1] N#C[C@H](c1ccccc1)N1CCN(CC1)[*:1]
C=C(C)C[C@@H]([NH3+])CSc1cccc(C)c1 C=C(C)C[*:1] Cc1cccc(c1)SC[C@H]([NH3+])[*:1]
C=C(C)C[C@@H]([NH3+])CSc1cccc(C)c1 C=C(C)[*:1] Cc1cccc(c1)SC[C@H]([NH3+])C[*:1]
COCC[C@@H](C)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 COC[*:1] C[C@H](C[*:1])C(=O)N1CCN(CC1)Cc1nc(no1)-c1cccs1
COCC[C@@H](C)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 c1csc(c1)[*:1] COCC[C@@H](C)C(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
COCC[C@@H](C)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 COCC[*:1] C[C@@H](C(=O)N1CCN(CC1)Cc1nc(no1)-c1cccs1)[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(CCO)C1CCCC1 OCC[*:1] C[C@@H]1[C@H](CCN1C(=O)N(C1CCCC1)[*:1])C(=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(CCO)C1CCCC1 C1CCC(C1)[*:1] C[C@@H]1[C@H](CCN1C(=O)N(CCO)[*:1])C(=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(CCO)C1CCCC1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)N(CCO)C1CCCC1)[*:1]
CC(C)OC(=O)N1CCC([NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 CC(C)[*:1] C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(CC1)C(=O)O[*:1]
Cc1cc(F)cc(C[C@H](C)C[NH2+]CC(C)C)c1 CC(C)[*:1] Cc1cc(F)cc(c1)C[C@H](C)C[NH2+]C[*:1]
Cc1cc(F)cc(C[C@H](C)C[NH2+]CC(C)C)c1 CC(C)C[*:1] Cc1cc(F)cc(c1)C[C@H](C)C[NH2+][*:1]
Cc1ccc(C[n+]2ccccc2NC(=O)c2ccnc(NC3CC3)c2)cc1 C1CC1N[*:1] Cc1ccc(cc1)C[n+]1ccccc1NC(=O)c1ccnc(c1)[*:1]
Cc1ccc(C[n+]2ccccc2NC(=O)c2ccnc(NC3CC3)c2)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1cccc[n+]1[*:1])c1ccnc(c1)NC1CC1
Cc1ccc(C[n+]2ccccc2NC(=O)c2ccnc(NC3CC3)c2)cc1 C1CC1[*:1] Cc1ccc(cc1)C[n+]1ccccc1NC(=O)c1ccnc(c1)N[*:1]
Cc1ccc(C[n+]2ccccc2NC(=O)c2ccnc(NC3CC3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc[n+]1C[*:1])c1ccnc(c1)NC1CC1
CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@](C)(O)c1ccc(C)o1 Cc1ccc(o1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)NC[C@](C)(O)[*:1]
Cc1cccc(C2=CCN(C(=O)NCc3nccn3C(F)F)CC2)c1 FC(F)n1ccnc1[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NC[*:1]
Cc1cccc(C2=CCN(C(=O)NCc3nccn3C(F)F)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCc1nccn1C(F)F)N1CC=C(CC1)[*:1]
Cc1cccc(C2=CCN(C(=O)NCc3nccn3C(F)F)CC2)c1 FC(F)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NCc1nccn1[*:1]
Cc1cc(Br)ccc1N(C)C(=O)c1cc(C(C)C)no1 CC(C)[*:1] Cc1cc(Br)ccc1N(C)C(=O)c1cc(no1)[*:1]
CCc1ccc(-c2nc(CC(=O)N(C)[C@@H](C)c3sc(C)nc3C)cs2)cc1 Cc1nc(C)c(s1)[*:1] CCc1ccc(cc1)-c1nc(cs1)CC(=O)N(C)[C@@H](C)[*:1]
CCc1ccc(-c2nc(CC(=O)N(C)[C@@H](C)c3sc(C)nc3C)cs2)cc1 CCc1ccc(cc1)[*:1] Cc1nc(C)c(s1)[C@H](C)N(C)C(=O)Cc1csc(n1)[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)CCc2ncc(-c3ccccc3F)o2)c(C)c1 Fc1ccccc1[*:1] Cc1cc(C)c(NC(=O)CNC(=O)CCc2ncc(o2)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CNC(=O)CCc2ncc(-c3ccccc3F)o2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CCc1ncc(o1)-c1ccccc1F)NCC(=O)N[*:1]
O=C(N[C@H](CCCO)c1ccccc1)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[C@H](CCCO)c1ccccc1)N1CC[C@H](C1)[*:1]
O=C(N[C@H](CCCO)c1ccccc1)N1CC[C@H](c2ccccc2)C1 OCC[*:1] O=C(N[C@H](C[*:1])c1ccccc1)N1CC[C@@H](C1)c1ccccc1
O=C(N[C@H](CCCO)c1ccccc1)N1CC[C@H](c2ccccc2)C1 OCCC[*:1] O=C(N[C@H](c1ccccc1)[*:1])N1CC[C@@H](C1)c1ccccc1
O=C(N[C@H](CCCO)c1ccccc1)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[C@H](CCCO)[*:1])N1CC[C@@H](C1)c1ccccc1
CN1C(=O)C[C@@H](NC(=O)N[C@@H]2CCOc3ccccc32)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)N[C@@H]2CCOc3ccccc32)[C@H]1[*:1]
CC[C@H](NC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)N1CCC[C@@H]1c1cc(ccc1OC)OC)[*:1]
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)NN=C[*:1]
O=C(Nc1ccc(N2CCOCC2)cn1)C1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(Nc1ccc(cn1)N1CCOCC1)C1CCN(CC1)[*:1]
O=C(Nc1ccc(N2CCOCC2)cn1)C1CCN(c2ncccn2)CC1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cn1)[*:1])C1CCN(CC1)c1ncccn1
CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 CCC[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N[C@@H](C)[*:1]
CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] CCC[C@H](C)NC(=O)c1ccc(c(C)c1)[*:1]
CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 CCC[C@H](C)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N[*:1]
O=C(c1ccncc1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccccc1 c1cc(ccn1)[*:1] O=C(N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccccc1)[*:1]
O=C(c1ccncc1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccncc1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc[n+]1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc[n+]1C[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc[n+]1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc[n+]1[*:1]
CC(=O)Nc1nc(C2CCN(C(=O)C3CCC3)CC2)cs1 CC(=O)N[*:1] O=C(C1CCC1)N1CCC(CC1)c1csc(n1)[*:1]
CC(=O)Nc1nc(C2CCN(C(=O)C3CCC3)CC2)cs1 C1CC(C1)[*:1] CC(=O)Nc1nc(cs1)C1CCN(CC1)C(=O)[*:1]
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O)[*:1]
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O Clc1ccccc1[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1
CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(C)c1 Cc1cccc(c1)[*:1] CC[C@H]1CCCC[C@H]1NC(=O)C(=O)N[*:1]
Cc1nsc(N(C)S(=O)(=O)c2cn[nH]c2C)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(c1[*:1])N(C)S(=O)(=O)c1cn[nH]c1C
Cc1nsc(N(C)S(=O)(=O)c2cn[nH]c2C)c1C(=O)[O-] Cc1[nH]ncc1[*:1] Cc1nsc(c1C(=O)[O-])N(C)S(=O)(=O)[*:1]
O=C(CN1CCN(CC(=O)C2=c3ccccc3=[NH+]C2)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)CC(=O)C1C[NH+]=c2ccccc2=1)N[*:1]
O=C(CN1CCN(CC(=O)C2=c3ccccc3=[NH+]C2)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(CN1CCN(CC1)[*:1])C1C[NH+]=c2ccccc2=1
O=C(CN1CCN(CC(=O)C2=c3ccccc3=[NH+]C2)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(CN1CCN(CC1)C[*:1])C1C[NH+]=c2ccccc2=1
COc1ccc(N2C[C@@H](C(=O)NCc3cn(-c4ccccc4)nc3-c3ccncc3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(NCc1cn(nc1-c1ccncc1)-c1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@@H](C(=O)NCc3cn(-c4ccccc4)nc3-c3ccncc3)CC2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NCc1cn(nc1-c1ccncc1)[*:1]
COc1ccc(N2C[C@@H](C(=O)NCc3cn(-c4ccccc4)nc3-c3ccncc3)CC2=O)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NCc1cn(nc1[*:1])-c1ccccc1
CC[C@@H](C)CNC(=O)c1cccc(C(F)(F)F)c1F CC[C@@H](C)[*:1] O=C(NC[*:1])c1cccc(c1F)C(F)(F)F
CC[C@@H](C)CNC(=O)c1cccc(C(F)(F)F)c1F CC[C@@H](C)C[*:1] O=C(N[*:1])c1cccc(c1F)C(F)(F)F
CC[C@@H](C)CNC(=O)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] CC[C@@H](C)CNC(=O)c1cccc(c1F)[*:1]
C=CC[NH2+]CC(=O)N(C)[C@@H](C)c1cccs1 c1csc(c1)[*:1] C=CC[NH2+]CC(=O)N(C)[C@@H](C)[*:1]
Cc1cc(NC(=O)C[C@@H](C)[NH2+]CC2(C(C)C)CC2)no1 CC(C)[*:1] Cc1cc(no1)NC(=O)C[C@@H](C)[NH2+]CC1(CC1)[*:1]
Cc1cc(NC(=O)C[C@@H](C)[NH2+]CC2(C(C)C)CC2)no1 Cc1cc(no1)[*:1] CC(C)C1(CC1)C[NH2+][C@H](C)CC(=O)N[*:1]
Cc1cc(NC(=O)C[C@@H](C)[NH2+]CC2(C(C)C)CC2)no1 CC(C)C1(CC1)[*:1] Cc1cc(no1)NC(=O)C[C@@H](C)[NH2+]C[*:1]
C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C(N)=O)cs1 NC(=O)[*:1] C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(cs1)[*:1]
COCC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1O COCC(=O)N[*:1] O[C@H]1[C@@H](CO[C@@H]1C[*:1])[NH2+]Cc1ccccc1F
COCC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1O COC[*:1] O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1O)[*:1]
COCC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1O Fc1ccccc1[*:1] COCC(=O)NC[C@H]1OC[C@@H]([NH2+]C[*:1])[C@@H]1O
COCC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1O COCC(=O)NC[*:1] O[C@H]1[C@@H](CO[C@@H]1[*:1])[NH2+]Cc1ccccc1F
CCC[NH2+]Cc1cncc(Oc2ccccc2C)n1 CCC[*:1] Cc1ccccc1Oc1cncc(C[NH2+][*:1])n1
Cc1ccc(C(=O)CCC(=O)N[C@H](CO)c2ccco2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)C(=O)CCC(=O)N[C@H](CO)[*:1]
O=C(Cc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 c1ccc(cc1)C[*:1] O=C(NC1CCCCC1)c1ccccc1NC(=O)[*:1]
O=C(Cc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1ccccc1)Nc1ccccc1C(=O)N[*:1]
O=C(Cc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NC1CCCCC1
COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)N1CCCC1=O)c1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)cc1 O=C1CCCN1[*:1] COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cn(C)nc2-c2cccs2)cn1 Cn1cc(cn1)C(=O)[*:1] Cn1cc(C(=O)N2CCC[C@H]2C[*:1])c(n1)-c1cccs1
Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cn(C)nc2-c2cccs2)cn1 Cn1cc(cn1)C(=O)C[*:1] Cn1cc(C(=O)N2CCC[C@H]2[*:1])c(n1)-c1cccs1
Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cn(C)nc2-c2cccs2)cn1 c1csc(c1)[*:1] Cn1cc(cn1)C(=O)C[C@@H]1CCCN1C(=O)c1cn(C)nc1[*:1]
Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cn(C)nc2-c2cccs2)cn1 Cn1cc(cn1)[*:1] Cn1cc(C(=O)N2CCC[C@H]2CC(=O)[*:1])c(n1)-c1cccs1
CC(C)Oc1ccc(NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
CC(C)Oc1ccc(NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1 CC(C)O[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
CCCOc1ccc(CNC(=O)c2cc(C)ccc2N2CCCC2=O)cn1 CCC[*:1] Cc1ccc(c(c1)C(=O)NCc1ccc(nc1)O[*:1])N1CCCC1=O
CCCOc1ccc(CNC(=O)c2cc(C)ccc2N2CCCC2=O)cn1 O=C1CCCN1[*:1] CCCOc1ccc(cn1)CNC(=O)c1cc(C)ccc1[*:1]
CCCOc1ccc(CNC(=O)c2cc(C)ccc2N2CCCC2=O)cn1 CCCO[*:1] Cc1ccc(c(c1)C(=O)NCc1ccc(nc1)[*:1])N1CCCC1=O
CCOC(=O)c1c(C)oc2ncnc(N[C@H](C)c3ccc(F)c(OC)c3)c12 CCOC(=O)[*:1] COc1cc(ccc1F)[C@@H](C)Nc1ncnc2oc(C)c(c12)[*:1]
CCOC(=O)c1c(C)oc2ncnc(N[C@H](C)c3ccc(F)c(OC)c3)c12 COc1cc(ccc1F)[*:1] CCOC(=O)c1c(C)oc2ncnc(N[C@H](C)[*:1])c12
CCN(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1ccc(F)cc1 CSc1cccc(c1)[*:1] CCN(CC(=O)N[*:1])S(=O)(=O)c1ccc(F)cc1
CCN(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(CC(=O)Nc1cccc(c1)SC)S(=O)(=O)[*:1]
CN(Cc1ccccc1)Cn1nc(Nc2cccc(F)c2)sc1=S c1ccc(cc1)[*:1] CN(Cn1nc(Nc2cccc(F)c2)sc1=S)C[*:1]
CN(Cc1ccccc1)Cn1nc(Nc2cccc(F)c2)sc1=S c1ccc(cc1)C[*:1] CN(Cn1nc(Nc2cccc(F)c2)sc1=S)[*:1]
CN(Cc1ccccc1)Cn1nc(Nc2cccc(F)c2)sc1=S Fc1cccc(c1)[*:1] CN(Cc1ccccc1)Cn1nc(N[*:1])sc1=S
CN(Cc1ccccc1)Cn1nc(Nc2cccc(F)c2)sc1=S Fc1cccc(c1)N[*:1] CN(Cc1ccccc1)Cn1nc(sc1=S)[*:1]
C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C[C@@H](C)S1 Fc1ccc(cc1F)[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)[C@@H]1CCN(C1=O)[*:1]
COC(=O)c1cccnc1N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 COC(=O)[*:1] O=S(=O)(c1ccc(nc1)N1CCN(CC1)c1ncccc1[*:1])N1CCOCC1
COC(=O)c1cccnc1N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 COC(=O)c1cccnc1[*:1] O=S(=O)(c1ccc(nc1)N1CCN(CC1)[*:1])N1CCOCC1
COC(=O)c1cccnc1N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 O=S(=O)(N1CCOCC1)[*:1] COC(=O)c1cccnc1N1CCN(CC1)c1ccc(cn1)[*:1]
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1nncn1-c1ccccc1 c1ccc(cc1)-n1cnnc1[*:1] Cc1ccccc1-c1nn(cc1C(=O)NC[*:1])-c1ccccc1
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1-c1nn(cc1C(=O)NCc1nncn1[*:1])-c1ccccc1
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1-c1nn(cc1C(=O)NCc1nncn1-c1ccccc1)[*:1]
Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1nncn1-c1ccccc1 Cc1ccccc1[*:1] O=C(NCc1nncn1-c1ccccc1)c1cn(nc1[*:1])-c1ccccc1
Cc1ccc(N2C[C@H](C(=O)NC[C@](C)(O)CCc3ccccc3)CC2=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[C@](C)(O)C[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@](C)(O)CCc3ccccc3)CC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[C@](C)(O)CC[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@](C)(O)CCc3ccccc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@](O)(CCc1ccccc1)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@](C)(O)CCc3ccccc3)CC2=O)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[C@](C)(O)[*:1]
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OC1CCN(S(C)(=O)=O)CC1 Cc1nn(C)c(C)c1[*:1] C[C@H](C[*:1])C(=O)OC1CCN(CC1)S(C)(=O)=O
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCn3nccc32)cc1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCCn2nccc21
CCCO[C@@H](C)C(=O)Nc1cccc(C#N)c1 CCCO[*:1] C[C@@H](C(=O)Nc1cccc(C#N)c1)[*:1]
CCCO[C@@H](C)C(=O)Nc1cccc(C#N)c1 CCC[*:1] C[C@H](O[*:1])C(=O)Nc1cccc(C#N)c1
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(NC(=O)Cn2cnc3sc(cc3c2=O)[*:1])C1=O)c1ccccc1
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(NC(=O)Cn2cnc3sc(cc3c2=O)-c2ccccc2)C1=O)[*:1]
Cc1nc(NCCC(=O)NCCn2nc(C)c(C)c2C)c2c(C)c(C)sc2n1 Cc1nn(c(C)c1C)[*:1] Cc1nc(NCCC(=O)NCC[*:1])c2c(C)c(C)sc2n1
Cc1nc(NCCC(=O)NCCn2nc(C)c(C)c2C)c2c(C)c(C)sc2n1 Cc1nn(C[*:1])c(C)c1C Cc1nc(NCCC(=O)NC[*:1])c2c(C)c(C)sc2n1
CN(Cc1nn(-c2ccccc2)c2c1CN(Cc1cccc(F)c1)CC2)C(=O)CC(C)(C)C Fc1cccc(c1)C[*:1] CN(Cc1nn(-c2ccccc2)c2CCN(Cc12)[*:1])C(=O)CC(C)(C)C
CN(Cc1nn(-c2ccccc2)c2c1CN(Cc1cccc(F)c1)CC2)C(=O)CC(C)(C)C CN(C[*:1])C(=O)CC(C)(C)C Fc1cccc(c1)CN1CCc2c(C1)c(nn2-c1ccccc1)[*:1]
CN(Cc1nn(-c2ccccc2)c2c1CN(Cc1cccc(F)c1)CC2)C(=O)CC(C)(C)C CC(C)(C)[*:1] CN(Cc1nn(-c2ccccc2)c2CCN(Cc3cccc(F)c3)Cc12)C(=O)C[*:1]
CN(Cc1nn(-c2ccccc2)c2c1CN(Cc1cccc(F)c1)CC2)C(=O)CC(C)(C)C c1ccc(cc1)[*:1] CN(Cc1nn(c2CCN(Cc3cccc(F)c3)Cc12)[*:1])C(=O)CC(C)(C)C
CN(Cc1nn(-c2ccccc2)c2c1CN(Cc1cccc(F)c1)CC2)C(=O)CC(C)(C)C Fc1cccc(c1)[*:1] CN(Cc1nn(-c2ccccc2)c2CCN(Cc12)C[*:1])C(=O)CC(C)(C)C
CN(Cc1nn(-c2ccccc2)c2c1CN(Cc1cccc(F)c1)CC2)C(=O)CC(C)(C)C CC(C)(C)C[*:1] CN(Cc1nn(-c2ccccc2)c2CCN(Cc3cccc(F)c3)Cc12)C(=O)[*:1]
CN(Cc1nn(-c2ccccc2)c2c1CN(Cc1cccc(F)c1)CC2)C(=O)CC(C)(C)C CN(C(=O)CC(C)(C)C)[*:1] Fc1cccc(c1)CN1CCc2c(C1)c(C[*:1])nn2-c1ccccc1
COC[C@@H](C)N1C(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2C1=O c1ccc(cc1)[*:1] COC[C@@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)N(C)C[*:1]
COC[C@@H](C)N1C(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2C1=O COC[*:1] C[C@@H](N1C(=O)c2ccc(cc2C1=O)C(=O)N(C)Cc1ccccc1)[*:1]
COC[C@@H](C)N1C(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2C1=O c1ccc(cc1)C[*:1] COC[C@@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)N(C)[*:1]
CCN(C(=O)c1ccc(F)cc1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C Fc1ccc(cc1)[*:1] CCN(C(=O)[*:1])[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C
CCN(C(=O)c1ccc(F)cc1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C COC(=O)[*:1] CCN(C(=O)c1ccc(F)cc1)[C@@H](C)C(=O)c1c(C)[nH]c(c1C)[*:1]
CCc1ccc([C@@H]([NH2+]Cc2noc(C3CC3)n2)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@@H]([NH2+]Cc1noc(n1)C1CC1)[*:1]
CCc1ccc([C@@H]([NH2+]Cc2noc(C3CC3)n2)C(C)C)cc1 C1CC1[*:1] CCc1ccc(cc1)[C@@H]([NH2+]Cc1noc(n1)[*:1])C(C)C
COc1ccc(-n2c(=O)c(CCC(=O)Nc3nc(C)cs3)nc3ccccc32)cc1 Cc1csc(n1)NC(=O)C[*:1] COc1ccc(cc1)-n1c(=O)c(C[*:1])nc2ccccc21
COc1ccc(-n2c(=O)c(CCC(=O)Nc3nc(C)cs3)nc3ccccc32)cc1 Cc1csc(n1)[*:1] COc1ccc(cc1)-n1c(=O)c(CCC(=O)N[*:1])nc2ccccc21
COc1ccc(-n2c(=O)c(CCC(=O)Nc3nc(C)cs3)nc3ccccc32)cc1 COc1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)CCc1nc2ccccc2n(c1=O)[*:1]
COc1ccc(-n2c(=O)c(CCC(=O)Nc3nc(C)cs3)nc3ccccc32)cc1 Cc1csc(n1)NC(=O)[*:1] COc1ccc(cc1)-n1c(=O)c(CC[*:1])nc2ccccc21
CNC(=O)CNS(=O)(=O)c1ccc(C(N)=S)cc1 CNC(=O)C[*:1] NC(=S)c1ccc(cc1)S(=O)(=O)N[*:1]
CNC(=O)CNS(=O)(=O)c1ccc(C(N)=S)cc1 CNC(=O)[*:1] NC(=S)c1ccc(cc1)S(=O)(=O)NC[*:1]
CNC(=O)CNS(=O)(=O)c1ccc(C(N)=S)cc1 NC(=S)[*:1] CNC(=O)CNS(=O)(=O)c1ccc(cc1)[*:1]
CCC[C@@H]1CN(Cc2ccc(C#N)o2)CC[NH2+]1 CCC[*:1] N#Cc1ccc(CN2CC[NH2+][C@@H](C2)[*:1])o1
Cc1nnc2n1CCC[C@H]2N[C@H](C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nnc2[C@@H](CCCn12)N[C@H](C)C[*:1]
CCOC(=O)C(C#N)=C1CCCc2cc(OC)ccc21 CCOC(=O)[*:1] COc1ccc2C(CCCc2c1)=C(C#N)[*:1]
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC12CC3CC(CC(C3)C1)C2 O=S(=O)(N1CCOCC1)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NCC12CC3CC(CC(C3)C1)C2
O=C([O-])CS(=O)(=O)NCc1ccc(N2CCOCC2)[nH+]c1 C1CN(CCO1)[*:1] O=C([O-])CS(=O)(=O)NCc1ccc([nH+]c1)[*:1]
O=C([O-])CS(=O)(=O)NCc1ccc(N2CCOCC2)[nH+]c1 O=C([O-])[*:1] O=S(=O)(C[*:1])NCc1ccc([nH+]c1)N1CCOCC1
O=C([O-])CS(=O)(=O)NCc1ccc(N2CCOCC2)[nH+]c1 O=C([O-])C[*:1] O=S(=O)(NCc1ccc([nH+]c1)N1CCOCC1)[*:1]
COc1ccc(C[S@@](=O)[C@H](C)c2ncc(C(C)(C)C)o2)cc1F CC(C)(C)[*:1] COc1ccc(cc1F)C[S@@](=O)[C@H](C)c1ncc(o1)[*:1]
C[C@@H]1C[C@@H](NC(=O)c2cccc3cc[nH]c23)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](NC(=O)c2cccc3cc[nH]c23)C(=O)N1[*:1]
CC1(C)C(=O)[C@]2(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC[C@H]1C2 FC(F)(F)O[*:1] CC1(C)C(=O)[C@@]2(CC[C@H]1C2)C(=O)Nc1ccc(cc1)[*:1]
CC1(C)C(=O)[C@]2(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC[C@H]1C2 FC(F)(F)[*:1] CC1(C)C(=O)[C@@]2(CC[C@H]1C2)C(=O)Nc1ccc(cc1)O[*:1]
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(O)c1 c1ccc(cc1)[*:1] CCn1c(C[*:1])nnc1SCC(=O)Nc1cccc(O)c1
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(O)c1 Oc1cccc(c1)[*:1] CCn1c(Cc2ccccc2)nnc1SCC(=O)N[*:1]
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(O)c1 c1ccc(cc1)C[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cccc(O)c1
COc1ccc(C2=NN=C[C@@H]2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1=NN=C[C@@H]1/C=C(/C#N)C(=O)NC[*:1]
COc1ccc(C2=NN=C[C@@H]2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C1=NN=C[C@@H]1/C=C(/C#N)C(=O)N[*:1]
COc1ccc(C2=NN=C[C@@H]2/C=C(/C#N)C(=O)NCc2ccccc2)cc1 COc1ccc(cc1)[*:1] N#C/C(=C/[C@H]1C=NN=C1[*:1])C(=O)NCc1ccccc1
C[C@H](NC(=O)c1cccs1)c1nnc(SCc2ccc(Cl)cc2Cl)n1C Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)c1cccs1)c1nnc(SC[*:1])n1C
C[C@H](NC(=O)c1cccs1)c1nnc(SCc2ccc(Cl)cc2Cl)n1C O=C(N[*:1])c1cccs1 C[C@H](c1nnc(SCc2ccc(Cl)cc2Cl)n1C)[*:1]
C[C@H](NC(=O)c1cccs1)c1nnc(SCc2ccc(Cl)cc2Cl)n1C c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])c1nnc(SCc2ccc(Cl)cc2Cl)n1C
Cc1ccc(C[C@H](C)N(C)C(=O)c2nc(C3CC3)n3ccccc23)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C[*:1])N(C)C(=O)c1nc(C2CC2)n2ccccc12
Cc1ccc(C[C@H](C)N(C)C(=O)c2nc(C3CC3)n3ccccc23)cc1 C1CC1[*:1] Cc1ccc(cc1)C[C@H](C)N(C)C(=O)c1nc(n2ccccc12)[*:1]
Cc1ccc(C[C@H](C)N(C)C(=O)c2nc(C3CC3)n3ccccc23)cc1 Cc1ccc(cc1)C[*:1] C[C@H](N(C)C(=O)c1nc(C2CC2)n2ccccc12)[*:1]
Cc1cc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)c(C)o1 CC(C)[*:1] Cc1cc(C(=O)N[C@H](C[*:1])c2nc3ccccc3[nH]2)c(C)o1
Cc1cc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)c(C)o1 CC(C)C[*:1] Cc1cc(C(=O)N[C@H](c2nc3ccccc3[nH]2)[*:1])c(C)o1
Cc1cc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)c(C)o1 Cc1cc(c(C)o1)[*:1] CC(C)C[C@@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)CCn1c(C)c(C)sc1=O COC(=O)[*:1] Cc1sc(=O)n(CCC(=O)N[C@@H]2CCCC[C@H]2[*:1])c1C
Cc1noc(C)c1[C@@H](C)NS(=O)(=O)Cc1ccccc1C(F)(F)F Cc1noc(C)c1[*:1] C[C@@H](NS(=O)(=O)Cc1ccccc1C(F)(F)F)[*:1]
Cc1noc(C)c1[C@@H](C)NS(=O)(=O)Cc1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1noc(C)c1[C@@H](C)NS(=O)(=O)Cc1ccccc1[*:1]
CCSc1ccccc1C(=O)Nc1sc2c(c1C(=O)NC(=O)OC)CC[C@@H](C)C2 CCS[*:1] COC(=O)NC(=O)c1c(NC(=O)c2ccccc2[*:1])sc2C[C@H](C)CCc21
CCSc1ccccc1C(=O)Nc1sc2c(c1C(=O)NC(=O)OC)CC[C@@H](C)C2 CCSc1ccccc1[*:1] COC(=O)NC(=O)c1c(NC(=O)[*:1])sc2C[C@H](C)CCc21
CCSc1ccccc1C(=O)Nc1sc2c(c1C(=O)NC(=O)OC)CC[C@@H](C)C2 COC(=O)NC(=O)[*:1] CCSc1ccccc1C(=O)Nc1sc2C[C@H](C)CCc2c1[*:1]
O=C(NCC1CCN(C(=O)c2ccccc2)CC1)NC[C@H]1CCC[C@@H]1O c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])NC[C@H]1CCC[C@@H]1O
COc1cccc(OCc2nc(C(=O)NCC(F)(F)F)co2)c1 FC(F)(F)C[*:1] COc1cccc(c1)OCc1nc(co1)C(=O)N[*:1]
COc1cccc(OCc2nc(C(=O)NCC(F)(F)F)co2)c1 FC(F)(F)[*:1] COc1cccc(c1)OCc1nc(co1)C(=O)NC[*:1]
CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)N[C@H]1CCCc2ccccc21 CC(=O)N[*:1] CC(=O)c1ccc(c(c1)OCC(=O)N[C@H]1CCCc2ccccc21)[*:1]
CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)N[C@H]1CCCc2ccccc21 CC(=O)[*:1] CC(=O)Nc1ccc(cc1OCC(=O)N[C@H]1CCCc2ccccc21)[*:1]
COc1ccccc1COC1CCN(S(=O)(=O)CC#N)CC1 N#CC[*:1] COc1ccccc1COC1CCN(CC1)S(=O)(=O)[*:1]
CC[C@H](C)[C@@H](O)[C@@](C)(CC)[NH+]1CCCC1 CC[C@H](C)[*:1] CC[C@](C)([C@H](O)[*:1])[NH+]1CCCC1
O=C(C[NH+]1CCC(NC(=O)CSc2ccccc2F)CC1)Nc1ccccc1 Fc1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)CS[*:1])Nc1ccccc1
O=C(C[NH+]1CCC(NC(=O)CSc2ccccc2F)CC1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(CSc1ccccc1F)NC1CC[NH+](CC1)C[*:1]
O=C(C[NH+]1CCC(NC(=O)CSc2ccccc2F)CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ccccc1F)NC1CC[NH+](CC1)CC(=O)N[*:1]
O=C(C[NH+]1CCC(NC(=O)CSc2ccccc2F)CC1)Nc1ccccc1 Fc1ccccc1SC[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)[*:1])Nc1ccccc1
O=C(C[NH+]1CCC(NC(=O)CSc2ccccc2F)CC1)Nc1ccccc1 Fc1ccccc1S[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)C[*:1])Nc1ccccc1
CCC[C@@]1(CC)NC(=O)NC1=O CCC[*:1] CC[C@]1(NC(=O)NC1=O)[*:1]
NC(=O)C[C@H](NC(=O)C[C@@H]1C=CCC1)C1CCCCC1 C1CCC(CC1)[*:1] NC(=O)C[C@H](NC(=O)C[C@@H]1C=CCC1)[*:1]
NC(=O)C[C@H](NC(=O)C[C@@H]1C=CCC1)C1CCCCC1 NC(=O)[*:1] O=C(C[C@@H]1C=CCC1)N[C@@H](C[*:1])C1CCCCC1
NC(=O)C[C@H](NC(=O)C[C@@H]1C=CCC1)C1CCCCC1 NC(=O)C[*:1] O=C(C[C@@H]1C=CCC1)N[C@H](C1CCCCC1)[*:1]
CC[C@@H]([NH2+][C@H](C)[C@@H]1CN(C)CCO1)c1c(C)nn(C)c1C CN1CCO[C@@H](C1)[*:1] CC[C@@H]([NH2+][C@H](C)[*:1])c1c(C)nn(C)c1C
CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)/C(=C(\[O-])OC)C(C)=N2 CCS[*:1] CO/C([O-])=C1\C(C)=Nc2nc([nH]c(=O)c2[C@@H]1c1ccncc1)[*:1]
CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)/C(=C(\[O-])OC)C(C)=N2 c1cc(ccn1)[*:1] CCSc1nc2N=C(C)/C(=C(/[O-])OC)[C@@H](c2c(=O)[nH]1)[*:1]
[NH3+]C1(C(=O)N2CCN(Cc3cccnc3)[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 c1cncc(c1)C[*:1] [NH3+]C1(CC1)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
[NH3+]C1(C(=O)N2CCN(Cc3cccnc3)[C@@H]3CS(=O)(=O)C[C@@H]32)CC1 c1cncc(c1)[*:1] [NH3+]C1(CC1)C(=O)N1CCN(C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
Cc1nc(C)c(CC(=O)Nc2nc(-c3ccco3)cs2)c(=O)[nH]1 c1coc(c1)[*:1] Cc1nc(C)c(CC(=O)Nc2nc(cs2)[*:1])c(=O)[nH]1
CC#CC[C@H]([NH2+]CC)[C@@]1(N(C)C)CCC[C@H](C)C1 CC#CC[*:1] CC[NH2+][C@H]([C@]1(CCC[C@H](C)C1)N(C)C)[*:1]
CC#CC[C@H]([NH2+]CC)[C@@]1(N(C)C)CCC[C@H](C)C1 CN(C)[*:1] CC#CC[C@H]([NH2+]CC)[C@]1(CCC[C@H](C)C1)[*:1]
CC#CC[C@H]([NH2+]CC)[C@@]1(N(C)C)CCC[C@H](C)C1 CC#C[*:1] CC[NH2+][C@@H](C[*:1])[C@]1(CCC[C@H](C)C1)N(C)C
CNC(=O)[C@H](C)CN(C)C(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)C(=O)c1c(C)nn(c1C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C CNC(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)C[C@@H](C)[*:1]
COC[C@H](C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N COC[C@H](C)N[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1ccc(Cl)cc1Cl
COC[C@H](C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N COC[*:1] C[C@H](Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N)[*:1]
COC[C@H](C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N Clc1ccc(c(Cl)c1)[*:1] COC[C@H](C)Nc1ncnc(NNC(=O)[*:1])c1N
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3c(F)cccc3s2)c1 Fc1cccc2sc(cc12)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)[*:1])N1CCOCC1
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3c(F)cccc3s2)c1 CCN(CC)S(=O)(=O)[*:1] O=C(Nc1cc(ccc1N1CCOCC1)[*:1])c1cc2c(F)cccc2s1
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3c(F)cccc3s2)c1 C1CN(CCO1)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c1cc2c(F)cccc2s1)[*:1]
CNC(=O)c1cccc(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1 NC(=O)[*:1] CNC(=O)c1cccc(c1)C(=O)N1CC[C@@H](c2ccccc21)[*:1]
CNC(=O)c1cccc(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1 CNC(=O)[*:1] NC(=O)[C@@H]1CCN(C(=O)c2cccc(c2)[*:1])c2ccccc21
[NH3+]C[C@H]1CC[C@H](C(=O)OC[C@H]2CCCO2)O1 C1CO[C@H](C1)[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)OC[*:1]
O=C(NCC1(c2ccc(Cl)cc2)CC1)NOCc1ccccc1 Clc1ccc(cc1)[*:1] O=C(NCC1(CC1)[*:1])NOCc1ccccc1
O=C(NCC1(c2ccc(Cl)cc2)CC1)NOCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC1(CC1)c1ccc(Cl)cc1)NOC[*:1]
O=C(NCC1(c2ccc(Cl)cc2)CC1)NOCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCC1(CC1)c1ccc(Cl)cc1)NO[*:1]
CCc1ccc(C[C@H](C(=O)[O-])c2ccccc2Cl)s1 O=C([O-])[*:1] CCc1ccc(C[C@H](c2ccccc2Cl)[*:1])s1
Cc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1C(=O)[O-] C1CCN(CC1)[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1C(=O)[O-])[*:1]
Cc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1[*:1])N1CCCCC1
Cc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1C(=O)[O-] Cc1ccccc1[*:1] O=C([O-])c1cc(ccc1NC(=O)[*:1])N1CCCCC1
Cc1cc(NC(=O)c2ccccc2F)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)c2ccccc2F)n(C[*:1])n1
Cc1cc(NC(=O)c2ccccc2F)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)c2ccccc2F)n(n1)[*:1]
Cc1cc(NC(=O)c2ccccc2F)n(Cc2ccccc2)n1 Fc1ccccc1[*:1] Cc1cc(NC(=O)[*:1])n(Cc2ccccc2)n1
CC(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 C1CN(CCO1)[*:1] CC(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccc(F)cc1
CC(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 CC(=O)[*:1] O=C1C([O-])=C([C@H](c2ccc(F)cc2)N1CCN1CCOCC1)[*:1]
CC(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 C1CN(CCO1)CC[*:1] CC(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(F)cc1)[*:1]
CC(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 C1CN(CCO1)C[*:1] CC(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(F)cc1
CC(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1[*:1]
C[C@@H](O)c1ccc(-c2ccccc2)cc1 C[C@@H](O)[*:1] c1ccc(cc1)-c1ccc(cc1)[*:1]
Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] Cn1nc(cc1C(=O)N[*:1])-c1ccc(Cl)cc1
Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccncc1 Clc1ccc(cc1)[*:1] Cn1nc(cc1C(=O)Nc1ccncc1)[*:1]
COc1ccc(Cl)c(NC(=O)C(=O)N(C)Cc2ccccc2F)c1 Fc1ccccc1C[*:1] COc1ccc(Cl)c(c1)NC(=O)C(=O)N(C)[*:1]
COc1ccc(Cl)c(NC(=O)C(=O)N(C)Cc2ccccc2F)c1 Fc1ccccc1[*:1] COc1ccc(Cl)c(c1)NC(=O)C(=O)N(C)C[*:1]
O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1O)N1CCCCCC1 O=S(=O)(N1CCCC1)[*:1] O=C(c1cc(ccc1O)[*:1])N1CCCCCC1
CCOC(=O)c1cccc(N(C)[C@@H]2CCc3ccccc32)n1 CCOC(=O)[*:1] CN(c1cccc(n1)[*:1])[C@@H]1CCc2ccccc21
[NH3+][C@@H]1C=C[C@@H](C[NH2+]CC(C2CC2)C2CC2)C1 C1CC1[*:1] [NH3+][C@@H]1C=C[C@@H](C[NH2+]CC(C2CC2)[*:1])C1
CSc1cccc2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc12 Clc1cc(c(Cl)s1)[*:1] CSc1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+](C)Cc1nccs1 c1csc(n1)[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+](C)C[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+](C)Cc1nccs1 Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1C[NH+](C)Cc1nccs1)[*:1]
COc1ccc([C@@H](NC(=O)N[C@@H](C)Cn2cncn2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@@H](Cn1cncn1)NC(=O)N[C@@H](C1CCOCC1)[*:1]
COc1ccc([C@@H](NC(=O)N[C@@H](C)Cn2cncn2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[C@@H](C)Cn1cncn1)[*:1]
COc1ccc([C@@H](NC(=O)N[C@@H](C)Cn2cncn2)C2CCOCC2)cc1 c1ncn(C[*:1])n1 COc1ccc(cc1)[C@@H](NC(=O)N[C@@H](C)[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)N[C@@H](C)Cn2cncn2)C2CCOCC2)cc1 c1ncn(n1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[C@@H](C)C[*:1])C1CCOCC1
CCN(CC1CC[NH2+]CC1)C(=O)c1n[nH]c(C(C)C)n1 CC(C)[*:1] CCN(CC1CC[NH2+]CC1)C(=O)c1n[nH]c(n1)[*:1]
Cc1cc(C)c(C(=O)CSc2nnc(Cc3cccs3)o2)c(C)c1 c1csc(c1)C[*:1] Cc1cc(C)c(C(=O)CSc2nnc(o2)[*:1])c(C)c1
Cc1cc(C)c(C(=O)CSc2nnc(Cc3cccs3)o2)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(C(=O)CSc2nnc(C[*:1])o2)c(C)c1
COC(=O)N1CCC[C@H](NC(=O)N[C@@H](C)c2c(F)cccc2Cl)C1 Fc1cccc(Cl)c1[*:1] COC(=O)N1CCC[C@@H](C1)NC(=O)N[C@@H](C)[*:1]
CCN(C(=O)CN1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CN1C(=O)N[C@H](CC2C[NH+]=c3ccccc3=2)C1=O)[*:1]
NC(=O)[C@H]1COCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 NC(=O)[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)N1CCOC[C@@H]1[*:1]
NC(=O)[C@H]1COCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] NC(=O)[C@H]1COCCN1C(=O)Cc1csc(n1)[*:1]
Cc1cc(-n2nc(CC(C)(C)C)c(Cl)c2N)ncn1 CC(C)(C)[*:1] Cc1cc(ncn1)-n1nc(C[*:1])c(Cl)c1N
Cc1cc(-n2nc(CC(C)(C)C)c(Cl)c2N)ncn1 CC(C)(C)C[*:1] Cc1cc(ncn1)-n1nc(c(Cl)c1N)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCCC(C)C)c1 CC(C)CCO[*:1] Cc1ccc(cc1NC(=O)c1cccc(c1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCCC(C)C)c1 CC(C)CC[*:1] Cc1ccc(cc1NC(=O)c1cccc(c1)O[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCCC(C)C)c1 CC(C)C[*:1] Cc1ccc(cc1NC(=O)c1cccc(c1)OC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCCC(C)C)c1 CC(C)[*:1] Cc1ccc(cc1NC(=O)c1cccc(c1)OCC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCCC(C)C)c1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)c1cccc(c1)OCCC(C)C)[*:1]
O=C(c1ccc(F)cc1)C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccc(F)cc1)C1CCN(CC1)C(=O)Nc1ccccc1[*:1]
O=C(c1ccc(F)cc1)C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 O=C(c1ccc(F)cc1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCC(CC1)[*:1]
O=C(c1ccc(F)cc1)C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCC(CC1)C(=O)[*:1]
O=C(NCC(=O)N1CCC[C@@H]1Cc1ccccc1)c1cc2ccccc2[nH]1 c1ccc2[nH]c(cc2c1)[*:1] O=C(CNC(=O)[*:1])N1CCC[C@@H]1Cc1ccccc1
O=C(NCC(=O)N1CCC[C@@H]1Cc1ccccc1)c1cc2ccccc2[nH]1 c1ccc(cc1)C[*:1] O=C(NCC(=O)N1CCC[C@H]1[*:1])c1cc2ccccc2[nH]1
O=C(NCC(=O)N1CCC[C@@H]1Cc1ccccc1)c1cc2ccccc2[nH]1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCC[C@@H]1C[*:1])c1cc2ccccc2[nH]1
Cc1cccc2nc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)cn12 C1CC1[*:1] Cc1cccc2nc(cn12)C(=O)N(Cc1ccc(cc1)C(C)C)[*:1]
Cc1cccc2nc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)cn12 CC(C)[*:1] Cc1cccc2nc(cn12)C(=O)N(Cc1ccc(cc1)[*:1])C1CC1
CC(C)CCN(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 CC(C)[*:1] CN(CC[*:1])C(=O)NCc1ccc(cc1)S(=O)(=O)N1CCCC1
CC(C)CCN(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 CC(C)CC[*:1] CN(C(=O)NCc1ccc(cc1)S(=O)(=O)N1CCCC1)[*:1]
CC(C)CCN(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 CC(C)C[*:1] CN(C[*:1])C(=O)NCc1ccc(cc1)S(=O)(=O)N1CCCC1
CC(C)CCN(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] CC(C)CCN(C)C(=O)NCc1ccc(cc1)[*:1]
COc1ccccc1C(=O)Nc1cc(-c2ccco2)ccc1F c1coc(c1)[*:1] COc1ccccc1C(=O)Nc1cc(ccc1F)[*:1]
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H](NC(=O)c1ccc(cc1F)[N+](=O)[O-])c1cccc(c1)[*:1]
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(N2CCCC2)c1 O=[N+]([O-])[*:1] C[C@H](NC(=O)c1ccc(cc1F)[*:1])c1cccc(c1)N1CCCC1
Cn1cc(S(=O)(=O)NCc2ccc(-n3cncn3)cc2)cn1 c1ncn(n1)[*:1] Cn1cc(cn1)S(=O)(=O)NCc1ccc(cc1)[*:1]
Cn1cc(S(=O)(=O)NCc2ccc(-n3cncn3)cc2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(NCc1ccc(cc1)-n1cncn1)[*:1]
COCCCNC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 COCC[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)NC[*:1]
COCCCNC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 COCCC[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)N[*:1]
COCCCNC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 COC[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)NCC[*:1]
COc1ccccc1-c1ccc(=O)n(Cc2ccc3ccccc3c2)n1 COc1ccccc1[*:1] O=c1ccc(nn1Cc1ccc2ccccc2c1)[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCC[C@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])N1CCCCC[C@@H]1[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCC[C@H]1c1ccncc1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCCCC[C@H]1c1ccncc1
C#CCNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O C#CC[*:1] O=C(N[C@@H]1CCCN(C1=O)c1ccccc1F)N[*:1]
C#CCNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O C#CCNC(=O)N[*:1] O=C1[C@@H](CCCN1c1ccccc1F)[*:1]
C#CCNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] C#CCNC(=O)N[C@@H]1CCCN(C1=O)[*:1]
Cc1ccc([C@@H]2CN(CC(=O)NC3CCCCC3)CCO2)c(C)c1 C1CCC(CC1)[*:1] Cc1ccc(c(C)c1)[C@@H]1CN(CCO1)CC(=O)N[*:1]
Cc1ccc([C@@H]2CN(CC(=O)NC3CCCCC3)CCO2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CN1CCO[C@@H](C1)[*:1])NC1CCCCC1
CCCc1cc(NC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)n(C)n1 C1CO[C@H](C1)[*:1] CCCc1cc(NC(=O)N2CCO[C@@H](C2)[*:1])n(C)n1
CCCc1cc(NC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)N1CCO[C@H](C1)[C@H]1CCCO1)[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1n[nH]c2ccccc12
Cc1ccc(NC(=O)C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1C c1ccc2c(n[nH]c2c1)[*:1] Cc1ccc(cc1C)NC(=O)C1CCN(CC1)C(=O)[*:1]
C=CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1ccccc1C#N C=CC[*:1] Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2C#N)n1[*:1]
CCOC(=O)c1cccc(OC(=O)[C@@H](C)CC)c1 CC[C@H](C)[*:1] CCOC(=O)c1cccc(c1)OC(=O)[*:1]
CCOC(=O)c1cccc(OC(=O)[C@@H](C)CC)c1 CCOC(=O)[*:1] CC[C@H](C)C(=O)Oc1cccc(c1)[*:1]
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)ccc2S1 C1CCC(CC1)[*:1] C[C@H]1CC(=O)Nc2cc(ccc2S1)S(=O)(=O)N1CCN(CC1)[*:1]
O=C([O-])CCC(=O)[C@H]1CSCCO1 O=C([O-])C[*:1] O=C(C[*:1])[C@H]1CSCCO1
O=C([O-])CCC(=O)[C@H]1CSCCO1 O=C([O-])[*:1] O=C(CC[*:1])[C@H]1CSCCO1
CC(=O)Oc1cn(C)c2ccc(Br)cc12 CC(=O)O[*:1] Cn1cc(c2cc(Br)ccc21)[*:1]
CCOc1cccc(/C=[NH+]/C[C@H](c2ccc(F)cc2)N2CCOCC2)c1O CCO[*:1] Oc1c(/C=[NH+]/C[C@H](c2ccc(F)cc2)N2CCOCC2)cccc1[*:1]
CCOc1cccc(/C=[NH+]/C[C@H](c2ccc(F)cc2)N2CCOCC2)c1O C1CN(CCO1)[*:1] CCOc1cccc(/C=[NH+]/C[C@H](c2ccc(F)cc2)[*:1])c1O
CCOc1cccc(/C=[NH+]/C[C@H](c2ccc(F)cc2)N2CCOCC2)c1O Fc1ccc(cc1)[*:1] CCOc1cccc(/C=[NH+]/C[C@H](N2CCOCC2)[*:1])c1O
COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1ccc(C#N)cc1 O=S(=O)(NC1CC1)[*:1] COc1ccc(cc1NCc1ccc(C#N)cc1)[*:1]
COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] COc1ccc(cc1NC[*:1])S(=O)(=O)NC1CC1
COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1ccc(C#N)cc1 C1CC1[*:1] COc1ccc(cc1NCc1ccc(C#N)cc1)S(=O)(=O)N[*:1]
O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cc(Cl)cc(Cl)c1 c1ccc(cc1)C[*:1] O=C(CSc1nnc(N[*:1])s1)Nc1cc(Cl)cc(Cl)c1
O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cc(Cl)cc(Cl)c1 c1ccc(cc1)CN[*:1] O=C(CSc1nnc(s1)[*:1])Nc1cc(Cl)cc(Cl)c1
O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(CSc1nnc(NCc2ccccc2)s1)N[*:1]
O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cc(Cl)cc(Cl)c1 c1ccc(cc1)[*:1] O=C(CSc1nnc(NC[*:1])s1)Nc1cc(Cl)cc(Cl)c1
Cc1nc2c(c(N3CCN(C(=O)c4ccccc4F)CC3)n1)CC[NH+](Cc1ccccc1)C2 c1ccc(cc1)C[*:1] Cc1nc2C[NH+](CCc2c(n1)N1CCN(CC1)C(=O)c1ccccc1F)[*:1]
Cc1nc2c(c(N3CCN(C(=O)c4ccccc4F)CC3)n1)CC[NH+](Cc1ccccc1)C2 c1ccc(cc1)[*:1] Cc1nc2C[NH+](CCc2c(n1)N1CCN(CC1)C(=O)c1ccccc1F)C[*:1]
Cc1nc2c(c(N3CCN(C(=O)c4ccccc4F)CC3)n1)CC[NH+](Cc1ccccc1)C2 Fc1ccccc1[*:1] Cc1nc2C[NH+](CCc2c(n1)N1CCN(CC1)C(=O)[*:1])Cc1ccccc1
COc1ccc(CN(C)CCc2ccc([N+](=O)[O-])cc2)cc1O O=[N+]([O-])[*:1] COc1ccc(cc1O)CN(C)CCc1ccc(cc1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCC(C)(C)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)C(=O)NCC(C)(C)[C@H](O)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCC(C)(C)[C@H](O)c1ccccc1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)C(=O)NCC(C)(C)[C@H](O)c1ccccc1)[*:1]
CCC(=O)N(C1CC1)[C@H]1NN=C(S[C@@H](C)C2=NC(=O)C3=C(c4ccccc4)CSC3=N2)S1 CCC(=O)N(C1CC1)[*:1] C[C@H](SC1=NN[C@@H](S1)[*:1])C1N=C2SCC(=C2C(=O)N=1)c1ccccc1
CCC(=O)N(C1CC1)[C@H]1NN=C(S[C@@H](C)C2=NC(=O)C3=C(c4ccccc4)CSC3=N2)S1 c1ccc(cc1)[*:1] CCC(=O)N(C1CC1)[C@H]1NN=C(S[C@@H](C)C2N=C3SCC(=C3C(=O)N=2)[*:1])S1
CCC(=O)N(C1CC1)[C@H]1NN=C(S[C@@H](C)C2=NC(=O)C3=C(c4ccccc4)CSC3=N2)S1 C1CC1[*:1] CCC(=O)N([C@H]1NN=C(S[C@@H](C)C2N=C3SCC(=C3C(=O)N=2)c2ccccc2)S1)[*:1]
CN(CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(NN)c1 O=[N+]([O-])[*:1] CN(CC(=O)N(C)C)Cc1ccc(c(c1)NN)[*:1]
CN(CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(NN)c1 CN(C)C(=O)C[*:1] CN(Cc1ccc(c(c1)NN)[N+](=O)[O-])[*:1]
CN(CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(NN)c1 CN(C)C(=O)[*:1] CN(Cc1ccc(c(c1)NN)[N+](=O)[O-])C[*:1]
Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2)c1C Cc1cccc(c1C)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(cc1)NC(=O)C1CC1
Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2)c1C O=C(N[*:1])C1CC1 Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(cc2)[*:1])c1C
Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2)c1C C1CC1[*:1] Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(cc2)NC(=O)[*:1])c1C
Cc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)no1 Cc1cc(no1)[*:1] O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)[*:1]
Cc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)no1 c1cnn(c1)[*:1] Cc1cc(no1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)no1 Clc1ccc(cc1)[*:1] Cc1cc(no1)C(=O)NC[C@@H](n1cccn1)[*:1]
COc1ccc2cc(C[NH+]3CCC(n4cc(CO)nn4)CC3)ccc2c1 OCc1cn(nn1)[*:1] COc1ccc2cc(ccc2c1)C[NH+]1CCC(CC1)[*:1]
N#CCc1ccc(OCc2ccc([N+](=O)[O-])c(F)c2)cc1 O=[N+]([O-])[*:1] N#CCc1ccc(cc1)OCc1ccc(c(F)c1)[*:1]
N#CCc1ccc(OCc2ccc([N+](=O)[O-])c(F)c2)cc1 N#CC[*:1] O=[N+]([O-])c1ccc(cc1F)COc1ccc(cc1)[*:1]
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(C)c(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(c(CC(=O)Nc2ccc(C)c(C)c2)s1)[*:1]
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] Cc1ccc(cc1)-c1nc(C)sc1CC(=O)N[*:1]
O=c1[nH]nc2ccc3nnc(-c4ccncc4)n3n12 c1cc(ccn1)[*:1] O=c1[nH]nc2ccc3nnc(n3n12)[*:1]
O=C(CCOC1CCOCC1)Nc1cc(Cl)ccc1-n1cccn1 C1CC(CCO1)OC[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1-n1cccn1
O=C(CCOC1CCOCC1)Nc1cc(Cl)ccc1-n1cccn1 C1CC(CCO1)O[*:1] O=C(CC[*:1])Nc1cc(Cl)ccc1-n1cccn1
O=C(CCOC1CCOCC1)Nc1cc(Cl)ccc1-n1cccn1 c1cnn(c1)[*:1] O=C(CCOC1CCOCC1)Nc1cc(Cl)ccc1[*:1]
O=C(CCOC1CCOCC1)Nc1cc(Cl)ccc1-n1cccn1 C1CC(CCO1)[*:1] O=C(CCO[*:1])Nc1cc(Cl)ccc1-n1cccn1
CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)N1CCOCC1 Clc1ccc(cc1)[*:1] CC(C)[C@H](CNC(=O)C(=O)N[*:1])N1CCOCC1
CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)[*:1]
CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)N1CCOCC1 CC(C)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])C(=O)Nc1ccc(Cl)cc1
COc1ccc(/C(C)=C/C(=O)NNC(=S)Nc2ccc(C)c(C)c2)cc1 COc1ccc(cc1)[*:1] CC(=CC(=O)NNC(=S)Nc1ccc(C)c(C)c1)[*:1]
COc1ccc(/C(C)=C/C(=O)NNC(=S)Nc2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)/C(C)=C/C(=O)NNC(=S)N[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC(=O)[O-])[C@H]2c2ccccc2F)cc1 O=C([O-])CC[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1F)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC(=O)[O-])[C@H]2c2ccccc2F)cc1 O=C([O-])[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccccc1F
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC(=O)[O-])[C@H]2c2ccccc2F)cc1 COc1ccc(cc1)[*:1] O=C([O-])CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccc1F
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC(=O)[O-])[C@H]2c2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CCC(=O)[O-])[C@@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC(=O)[O-])[C@H]2c2ccccc2F)cc1 O=C([O-])C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1F
CC[C@H](CCO)C[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C OCC[*:1] CC[C@H](C[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[*:1]
CC[C@H](CCO)C[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C CC[C@H](CCO)[*:1] CC1(C)[C@@H]([NH2+]C[*:1])[C@@H]2CCCO[C@@H]21
Cc1cc([C@@](C)(O)CNC(=O)C(=O)Nc2cnc3ccccc3c2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1cnc2ccccc2c1)[*:1]
CCOc1ccc([C@H](C[NH3+])[C@@H](O)c2cscc2C)cc1 CCO[*:1] Cc1cscc1[C@H](O)[C@@H](C[NH3+])c1ccc(cc1)[*:1]
CCOc1ccc([C@H](C[NH3+])[C@@H](O)c2cscc2C)cc1 Cc1cscc1[*:1] CCOc1ccc(cc1)[C@H](C[NH3+])[C@@H](O)[*:1]
CC(C)C[C@@H](C(=O)O[C@@H]1CCOC1)N1CCCCC1=O CC(C)C[*:1] O=C(O[C@@H]1CCOC1)[C@@H](N1CCCCC1=O)[*:1]
CC(C)C[C@@H](C(=O)O[C@@H]1CCOC1)N1CCCCC1=O C1C[C@H](CO1)[*:1] CC(C)C[C@@H](C(=O)O[*:1])N1CCCCC1=O
CC(C)C[C@@H](C(=O)O[C@@H]1CCOC1)N1CCCCC1=O CC(C)[*:1] O=C(O[C@@H]1CCOC1)[C@H](C[*:1])N1CCCCC1=O
CC(C)(C)c1ncc(NC(=O)c2ccc(NC=O)cc2)cn1 CC(C)(C)[*:1] O=CNc1ccc(cc1)C(=O)Nc1cnc(nc1)[*:1]
CC(C)(C)c1ncc(NC(=O)c2ccc(NC=O)cc2)cn1 O=CN[*:1] CC(C)(C)c1ncc(cn1)NC(=O)c1ccc(cc1)[*:1]
COCC[C@H](NC(=O)c1ccc(Br)nc1)C(=O)[O-] O=C([O-])[*:1] COCC[C@H](NC(=O)c1ccc(Br)nc1)[*:1]
COCC[C@H](NC(=O)c1ccc(Br)nc1)C(=O)[O-] COCC[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1ccc(Br)nc1
COCC[C@H](NC(=O)c1ccc(Br)nc1)C(=O)[O-] COC[*:1] O=C(N[C@@H](C[*:1])C(=O)[O-])c1ccc(Br)nc1
O=C(N[C@H]1c2ccccc2C[C@H]1C(=O)[O-])OCC1c2ccccc2-c2ccccc21 O=C([O-])[*:1] O=C(N[C@H]1c2ccccc2C[C@@H]1[*:1])OCC1c2ccccc2-c2ccccc21
C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1nc2cc(Cl)ccc2n1C NC(=O)[*:1] C[C@@H]1C[C@H](c2ccccc2N1Cc1nc2cc(Cl)ccc2n1C)[*:1]
O=C(/C=C\c1ccco1)Nc1ccc(I)cc1 c1coc(c1)[*:1] O=C(C=C[*:1])Nc1ccc(I)cc1
Cc1c(NC(=O)/C=C/c2ccccc2)cccc1C(=O)N1CCc2sccc2C1 C(=C[*:1])c1ccccc1 Cc1c(cccc1C(=O)N1CCc2sccc2C1)NC(=O)[*:1]
Cc1c(NC(=O)/C=C/c2ccccc2)cccc1C(=O)N1CCc2sccc2C1 c1ccc(cc1)[*:1] Cc1c(cccc1C(=O)N1CCc2sccc2C1)NC(=O)C=C[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1ccccc1OC(C)C Cc1noc(C)c1[*:1] CC(C)Oc1ccccc1C(=O)N[C@H](C)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1ccccc1OC(C)C CC(C)O[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)c1ccccc1[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1ccccc1OC(C)C CC(C)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)c1ccccc1O[*:1]
CON(C)C(=O)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 CON(C)C(=O)[*:1] c1ccc(cc1)-c1nc(cs1)CN1CCN(CC1)C[*:1]
CON(C)C(=O)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 CON(C)C(=O)C[*:1] c1ccc(cc1)-c1nc(cs1)CN1CCN(CC1)[*:1]
CON(C)C(=O)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] CON(C)C(=O)CN1CCN(CC1)Cc1csc(n1)[*:1]
Nc1c(NCc2ccc3c(c2)OCO3)ncnc1Nc1cccc2cccnc12 c1cc2OCOc2cc1[*:1] Nc1c(ncnc1Nc1cccc2cccnc12)NC[*:1]
C[C@H]1Oc2c(cccc2C(=O)N(CCC(F)(F)F)C2CCCC2)NC1=O FC(F)(F)[*:1] C[C@H]1Oc2c(cccc2C(=O)N(CC[*:1])C2CCCC2)NC1=O
C[C@H]1Oc2c(cccc2C(=O)N(CCC(F)(F)F)C2CCCC2)NC1=O FC(F)(F)CC[*:1] C[C@H]1Oc2c(cccc2C(=O)N(C2CCCC2)[*:1])NC1=O
C[C@H]1Oc2c(cccc2C(=O)N(CCC(F)(F)F)C2CCCC2)NC1=O FC(F)(F)C[*:1] C[C@H]1Oc2c(cccc2C(=O)N(C[*:1])C2CCCC2)NC1=O
C[C@H]1Oc2c(cccc2C(=O)N(CCC(F)(F)F)C2CCCC2)NC1=O C1CCC(C1)[*:1] C[C@H]1Oc2c(cccc2C(=O)N(CCC(F)(F)F)[*:1])NC1=O
CC(C)N(C)c1ccc(NC(=O)NCc2nncn2C2CC2)cc1F CC(C)[*:1] CN(c1ccc(cc1F)NC(=O)NCc1nncn1C1CC1)[*:1]
CC(C)N(C)c1ccc(NC(=O)NCc2nncn2C2CC2)cc1F CC(C)N(C)[*:1] O=C(NCc1nncn1C1CC1)Nc1ccc(c(F)c1)[*:1]
CC(C)N(C)c1ccc(NC(=O)NCc2nncn2C2CC2)cc1F c1nnc(n1C1CC1)[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)NC[*:1]
CC(C)N(C)c1ccc(NC(=O)NCc2nncn2C2CC2)cc1F C1CC1[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)NCc1nncn1[*:1]
O=S(=O)(NCC1CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 C1CC1C[*:1] O=S(=O)(N[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
O=S(=O)(NCC1CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 C1CC1[*:1] O=S(=O)(NC[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
O=C1CC(=O)Nc2cc([C@H](O)C(F)(F)C(F)F)ccc2N1 FC(F)C(F)(F)[*:1] O=C1CC(=O)Nc2cc(ccc2N1)[C@H](O)[*:1]
O=C1CC(=O)Nc2cc([C@H](O)C(F)(F)C(F)F)ccc2N1 FC(F)[*:1] O=C1CC(=O)Nc2cc(ccc2N1)[C@H](O)C(F)(F)[*:1]
Cc1c(C[NH2+]C2CCCCCC2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] Cc1c(C[NH2+]C2CCCCCC2)c(C(=O)[O-])c(C)n1[*:1]
Cc1c(C[NH2+]C2CCCCCC2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 O=C([O-])[*:1] Cc1c(C[NH2+]C2CCCCCC2)c(c(C)n1Cc1cccc(F)c1)[*:1]
Cc1c(C[NH2+]C2CCCCCC2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 C1CCCC(CC1)[*:1] Cc1c(C[NH2+][*:1])c(C(=O)[O-])c(C)n1Cc1cccc(F)c1
Cc1c(C[NH2+]C2CCCCCC2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1c(C[NH2+]C2CCCCCC2)c(C(=O)[O-])c(C)n1C[*:1]
CCCn1cc(NC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cn1 CCCn1cc(cn1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
CCCn1cc(NC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cn1 CCC[*:1] O=C(Nc1cnn(c1)[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
CC(C)Oc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 CC(C)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1[N+](=O)[O-]
CC(C)Oc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccccc1[N+](=O)[O-]
CC(C)Oc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)Oc1ccc(cc1)NC(=O)c1ccccc1[*:1]
CCOc1ccc(C2=CCN(C(=O)C(=O)Nc3scnc3CC)CC2)cc1 CCO[*:1] CCc1ncsc1NC(=O)C(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)C(=O)Nc3scnc3CC)CC2)cc1 CCc1ncsc1[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)C(=O)N[*:1]
CCOc1ccc(C2=CCN(C(=O)C(=O)Nc3scnc3CC)CC2)cc1 CCOc1ccc(cc1)[*:1] CCc1ncsc1NC(=O)C(=O)N1CC=C(CC1)[*:1]
CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 O=c1ccn(c(=O)[nH]1)[*:1] CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C2)C(=O)C[*:1])C1
CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C2)C1 O=c1ccn(C[*:1])c(=O)[nH]1 CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C2)C(=O)[*:1])C1
COC[C@@H](NC(=O)c1ccc(SC)o1)c1ccc(F)c(F)c1 CSc1ccc(o1)[*:1] COC[C@@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)c1ccc(SC)o1)c1ccc(F)c(F)c1 COC[*:1] CSc1ccc(o1)C(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC(O)(C(F)(F)F)CC2)c1 FC(F)(F)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCC(O)(CC1)[*:1]
O=C(Nc1ncn[n-]1)c1cc(N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] O=C(Nc1ncn[n-]1)c1cc(ccc1Cl)[*:1]
COc1ccc2[nH]cc(CC(=O)O[C@@H](C)c3ccc([N+](=O)[O-])cc3)c2c1 O=[N+]([O-])[*:1] COc1ccc2[nH]cc(CC(=O)O[C@@H](C)c3ccc(cc3)[*:1])c2c1
C[C@H](NC(=O)N1CC[C@H](C)[C@@H](O)C1)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@H](NC(=O)N1CC[C@H](C)[C@@H](O)C1)c1ccc(cc1)[*:1]
Cc1ccc([C@H](NC(=O)c2cc(C)n(C)n2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](NC(=O)c1cc(C)n(C)n1)[*:1]
Cc1ccc([C@H](NC(=O)c2cc(C)n(C)n2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(nn1C)C(=O)N[C@H](c1ccccc1)[*:1]
Cc1ccc([C@H](NC(=O)c2cc(C)n(C)n2)c2ccccc2)cc1 Cc1cc(nn1C)[*:1] Cc1ccc(cc1)[C@H](NC(=O)[*:1])c1ccccc1
CCn1ncc(C(=O)N[C@@H](C)c2c(C)noc2C)c1C(F)(F)F Cc1noc(C)c1[*:1] CCn1ncc(C(=O)N[C@@H](C)[*:1])c1C(F)(F)F
CCn1ncc(C(=O)N[C@@H](C)c2c(C)noc2C)c1C(F)(F)F FC(F)(F)[*:1] CCn1ncc(C(=O)N[C@@H](C)c2c(C)noc2C)c1[*:1]
Cc1nnc(SCc2ccccc2OC(C)C)n1N CC(C)[*:1] Cc1nnc(SCc2ccccc2O[*:1])n1N
Cc1nnc(SCc2ccccc2OC(C)C)n1N CC(C)O[*:1] Cc1nnc(SCc2ccccc2[*:1])n1N
Cc1cc2c(N3CCN([C@H](C)C(=O)NC4CCCC4)CC3)ncnc2s1 C1CCC(C1)[*:1] Cc1cc2c(ncnc2s1)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
Cc1cc2c(N3CCN([C@H](C)C(=O)NC4CCCC4)CC3)ncnc2s1 O=C(NC1CCCC1)[*:1] Cc1cc2c(ncnc2s1)N1CCN(CC1)[C@H](C)[*:1]
O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[*:1]
COc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3)nn2)cc1F c1ccc(cc1)C[*:1] COc1ccc(cc1F)CN(C)C(=O)c1cn(nn1)[*:1]
COc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3)nn2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)CN(C)C(=O)c1cn(C[*:1])nn1
CC[NH+]1CCN(c2ncnc(Nc3cc(Cl)ccc3Cl)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)c1ncnc(Nc2cc(Cl)ccc2Cl)c1[*:1]
CC[NH+]1CCN(c2ncnc(Nc3cc(Cl)ccc3Cl)c2[N+](=O)[O-])CC1 Clc1ccc(Cl)c(c1)[*:1] CC[NH+]1CCN(CC1)c1ncnc(N[*:1])c1[N+](=O)[O-]
CC(=O)Nc1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] CC(=O)Nc1cccc(c1)NC(=O)Cc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 CC(=O)N[*:1] O=C(Cc1cccc(c1)C(F)(F)F)Nc1cccc(c1)[*:1]
Cc1cc(C)c2nc(N(CC[NH+](C)C)C(=O)c3ccc(C#N)cc3)sc2c1 N#Cc1ccc(cc1)[*:1] Cc1cc(C)c2nc(sc2c1)N(CC[NH+](C)C)C(=O)[*:1]
CCC[C@@]1(C)CCCN(C(=O)NCCc2ccn(C(C)C)n2)C1 CCC[*:1] CC(C)n1ccc(CCNC(=O)N2CCC[C@](C)(C2)[*:1])n1
CCC[C@@]1(C)CCCN(C(=O)NCCc2ccn(C(C)C)n2)C1 CC(C)[*:1] CCC[C@@]1(C)CCCN(C1)C(=O)NCCc1ccn(n1)[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OC(C)C CC(C)[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1O[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OC(C)C Cc1cccc(c1C)[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])ccc1OC(C)C
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OC(C)C CC(C)O[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CC(C)NC(=O)c1ccccc1NC(=O)[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)C(Cl)(Cl)Cl CC(C)[*:1] O=C(N[*:1])c1ccccc1NC(=O)C(Cl)(Cl)Cl
CC(C)NC(=O)c1ccccc1NC(=O)C(Cl)(Cl)Cl CC(C)NC(=O)[*:1] O=C(Nc1ccccc1[*:1])C(Cl)(Cl)Cl
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)[C@@H]3Sc4ccccc4NC3=O)C2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)[C@@H]1Sc2ccccc2NC1=O
CC[C@H](C)CN(C)c1cc(Br)ccc1C[NH2+]C(C)C CC(C)[*:1] CC[C@H](C)CN(C)c1cc(Br)ccc1C[NH2+][*:1]
CC[C@H](C)CN(C)c1cc(Br)ccc1C[NH2+]C(C)C CC[C@H](C)C[*:1] CC(C)[NH2+]Cc1ccc(Br)cc1N(C)[*:1]
CC[C@H](C)CN(C)c1cc(Br)ccc1C[NH2+]C(C)C CC[C@H](C)[*:1] CC(C)[NH2+]Cc1ccc(Br)cc1N(C)C[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C)C1 CC(=O)N[*:1] Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](C1)C[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C)C1 Cc1cc(F)ccc1[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)C(=O)N[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C)C1 CC(=O)NC[*:1] Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
CCNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2CC(C)C CC(C)[*:1] CCNC(=O)c1cc(nc2c1c(=O)[nH]c(=O)n2C[*:1])C1CC1
CCNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2CC(C)C CCNC(=O)[*:1] CC(C)Cn1c(=O)[nH]c(=O)c2c(cc(nc21)C1CC1)[*:1]
CCNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2CC(C)C C1CC1[*:1] CCNC(=O)c1cc(nc2c1c(=O)[nH]c(=O)n2CC(C)C)[*:1]
CCNC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2CC(C)C CC(C)C[*:1] CCNC(=O)c1cc(nc2c1c(=O)[nH]c(=O)n2[*:1])C1CC1
O=C(CC1CCC1)Nc1ccc(-n2cncn2)c(F)c1 C1CC(C1)[*:1] O=C(C[*:1])Nc1ccc(c(F)c1)-n1cncn1
O=C(CC1CCC1)Nc1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] O=C(CC1CCC1)Nc1ccc(c(F)c1)[*:1]
O=C(CC1CCC1)Nc1ccc(-n2cncn2)c(F)c1 C1CC(C1)C[*:1] O=C(Nc1ccc(c(F)c1)-n1cncn1)[*:1]
CC(=O)Nc1cccc(-n2nnnc2S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 CC(=O)Nc1cccc(c1)[*:1] Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnnn1[*:1]
CC(=O)Nc1cccc(-n2nnnc2S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 Cc1[nH]c2ccccc2c1[*:1] CC(=O)Nc1cccc(c1)-n1nnnc1S[C@H](C)C(=O)[*:1]
CC(=O)Nc1cccc(-n2nnnc2S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 CC(=O)N[*:1] Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnnn1-c1cccc(c1)[*:1]
Cc1sc2nc([C@H](C)Sc3nnnn3C(C)(C)C)[nH]c(=O)c2c1C CC(C)(C)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Sc1nnnn1[*:1]
Cc1ccnc(NC(=O)CCc2c(C)nc3nc(NCc4ccc(Cl)cc4)nn3c2[O-])c1 Cc1ccnc(c1)[*:1] Cc1nc2nc(nn2c([O-])c1CCC(=O)N[*:1])NCc1ccc(Cl)cc1
Cc1ccnc(NC(=O)CCc2c(C)nc3nc(NCc4ccc(Cl)cc4)nn3c2[O-])c1 Clc1ccc(cc1)C[*:1] Cc1ccnc(c1)NC(=O)CCc1c(C)nc2nc(nn2c1[O-])N[*:1]
Cc1ccnc(NC(=O)CCc2c(C)nc3nc(NCc4ccc(Cl)cc4)nn3c2[O-])c1 Cc1ccnc(c1)NC(=O)[*:1] Cc1nc2nc(nn2c([O-])c1CC[*:1])NCc1ccc(Cl)cc1
Cc1ccnc(NC(=O)CCc2c(C)nc3nc(NCc4ccc(Cl)cc4)nn3c2[O-])c1 Clc1ccc(cc1)[*:1] Cc1ccnc(c1)NC(=O)CCc1c(C)nc2nc(nn2c1[O-])NC[*:1]
Cc1ccnc(NC(=O)CCc2c(C)nc3nc(NCc4ccc(Cl)cc4)nn3c2[O-])c1 Clc1ccc(cc1)CN[*:1] Cc1ccnc(c1)NC(=O)CCc1c(C)nc2nc(nn2c1[O-])[*:1]
COc1ccccc1CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 COc1ccccc1[*:1] O=C(CSCc1nc2sc3CCCc3c2c(=O)[nH]1)NC[*:1]
COc1ccccc1CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 COc1ccccc1C[*:1] O=C(CSCc1nc2sc3CCCc3c2c(=O)[nH]1)N[*:1]
Cc1nc(NC(=O)c2ccc(OC(F)F)cc2)sc1C FC(F)[*:1] Cc1nc(NC(=O)c2ccc(cc2)O[*:1])sc1C
Cc1nc(NC(=O)c2ccc(OC(F)F)cc2)sc1C FC(F)O[*:1] Cc1nc(NC(=O)c2ccc(cc2)[*:1])sc1C
CCC(=O)N(C)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)cc1 CCC(=O)N(C)C[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)[*:1])c1ccccc1F
CCC(=O)N(C)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCC(=O)N(C)CC(=O)N1N=C(C[C@@H]1[*:1])c1ccccc1F
CCC(=O)N(C)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)cc1 CCC(=O)N(C)[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)C[*:1])c1ccccc1F
CCC(=O)N(C)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)cc1 Fc1ccccc1[*:1] CCC(=O)N(C)CC(=O)N1N=C(C[C@H]1c1ccc(cc1)OC)[*:1]
CCCC(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 CCC[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)[C@@H]1CCCCN1C(=O)[*:1]
O=C(Nc1ccnn1Cc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)S[*:1] O=C(Nc1ccnn1Cc1ccccc1)[C@@H](c1ccccc1)[*:1]
O=C(Nc1ccnn1Cc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1ccnn1[*:1])[C@@H](Sc1ccccc1)c1ccccc1
O=C(Nc1ccnn1Cc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1C[*:1])[C@@H](Sc1ccccc1)c1ccccc1
O=C(Nc1ccnn1Cc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1Cc1ccccc1)[C@@H](S[*:1])c1ccccc1
O=C(Nc1ccnn1Cc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1Cc1ccccc1)[C@@H](Sc1ccccc1)[*:1]
CCC(=O)N1CCN(C(=O)CCCc2cc(C)sc2C)CC1 Cc1cc(c(C)s1)[*:1] CCC(=O)N1CCN(CC1)C(=O)CCC[*:1]
CCn1c(SCc2csc3ccccc23)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])SCc1csc2ccccc12
Cc1ccc2[nH]c3c(=O)n(CCCO)cnc3c2c1 OCCC[*:1] Cc1ccc2[nH]c3c(=O)n(cnc3c2c1)[*:1]
Cc1ccc2[nH]c3c(=O)n(CCCO)cnc3c2c1 OCC[*:1] Cc1ccc2[nH]c3c(=O)n(cnc3c2c1)C[*:1]
COc1ccc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1[N+](=O)[O-] Fc1cccc(c1)O[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1[N+](=O)[O-] Fc1cccc(c1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc(cc1)Oc1cccc(F)c1
CN(C)C(=O)COc1cccc(CNC(=O)c2ccc(Cl)nc2)c1 CN(C)C(=O)CO[*:1] O=C(NCc1cccc(c1)[*:1])c1ccc(Cl)nc1
CN(C)C(=O)COc1cccc(CNC(=O)c2ccc(Cl)nc2)c1 CN(C)C(=O)[*:1] O=C(NCc1cccc(c1)OC[*:1])c1ccc(Cl)nc1
CN(C)C(=O)COc1cccc(CNC(=O)c2ccc(Cl)nc2)c1 Clc1ccc(cn1)[*:1] CN(C)C(=O)COc1cccc(c1)CNC(=O)[*:1]
CN(C)C(=O)COc1cccc(CNC(=O)c2ccc(Cl)nc2)c1 CN(C)C(=O)C[*:1] O=C(NCc1cccc(c1)O[*:1])c1ccc(Cl)nc1
Cc1cnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)s1 Cc1cnc(s1)[*:1] CN1C(=O)CO[C@@H](C(=O)N[*:1])[C@@H]1c1ccccc1
Cc1cnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2[*:1])s1
Nc1ccc(Cl)c(SC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Nc1ccc(Cl)c(c1)SC[*:1]
CCc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCO2)cc1 CCc1ccc(cc1)[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@@H]1CCCO1
CC1(C)OC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)O1 O=[N+]([O-])[*:1] CC1(C)OC(=O)C2(Cc3cc(ccc3N3CCCC[C@H]32)[*:1])C(=O)O1
Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(S(N)(=O)=O)cc3)o2)cc1Cl Cc1ccc(cc1Cl)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(o1)[*:1]
Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(S(N)(=O)=O)cc3)o2)cc1Cl NS(=O)(=O)[*:1] Cc1ccc(cc1Cl)-c1ccc(o1)C(=O)NC(=S)Nc1ccc(cc1)[*:1]
CSc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)CSc3ccc(F)cc3)sc2c1 Fc1ccc(cc1)[*:1] CSc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)CS[*:1]
CSc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)CSc3ccc(F)cc3)sc2c1 Fc1ccc(cc1)SC[*:1] CSc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)[*:1]
CSc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)CSc3ccc(F)cc3)sc2c1 Fc1ccc(cc1)S[*:1] CSc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)C[*:1]
O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC[C@H]([NH+]1CCCC1)[*:1]
CCCCN(C)C(=O)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 CCCCN(C)C(=O)[*:1] N#Cc1c(cn2ccccc12)C[NH+]1CCC(CC1)[*:1]
CCCCN(C)C(=O)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 CCCC[*:1] CN(C(=O)C1CC[NH+](CC1)Cc1cn2ccccc2c1C#N)[*:1]
CCCCN(C)C(=O)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 CCC[*:1] CN(C[*:1])C(=O)C1CC[NH+](CC1)Cc1cn2ccccc2c1C#N
CC[C@@](C)(NCc1nnc(-c2ccco2)o1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@](C)(NCc1nnc(o1)-c1ccco1)[*:1]
CC[C@@](C)(NCc1nnc(-c2ccco2)o1)c1nc(C)cs1 c1coc(c1)[*:1] CC[C@@](C)(NCc1nnc(o1)[*:1])c1nc(C)cs1
CC(=O)Nc1nc(COC(=O)Cn2cnc3sccc3c2=O)cs1 CC(=O)N[*:1] O=C(Cn1cnc2sccc2c1=O)OCc1csc(n1)[*:1]
CCc1ccc(NC(=O)N(C)CC(C)C)cc1[N+](=O)[O-] CC(C)C[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)N(C)[*:1]
CCc1ccc(NC(=O)N(C)CC(C)C)cc1[N+](=O)[O-] CC(C)[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)N(C)C[*:1]
CCc1ccc(NC(=O)N(C)CC(C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)N(C)CC(C)C
O=C(NC[C@@]1(O)CCC[NH2+]CC1)C1(c2ccc(Cl)cc2)CCCCC1 Clc1ccc(cc1)[*:1] O=C(NC[C@@]1(O)CCC[NH2+]CC1)C1(CCCCC1)[*:1]
COc1ncccc1C(=O)Nc1nc(-c2c(F)cccc2F)cs1 Fc1cccc(F)c1[*:1] COc1ncccc1C(=O)Nc1nc(cs1)[*:1]
COc1ncccc1C(=O)Nc1nc(-c2c(F)cccc2F)cs1 COc1ncccc1[*:1] O=C(Nc1nc(cs1)-c1c(F)cccc1F)[*:1]
CC(C)n1c(SCC(=O)Nc2nccs2)nc2ccccc2c1=O O=C(Nc1nccs1)[*:1] CC(C)n1c(nc2ccccc2c1=O)SC[*:1]
CC(C)n1c(SCC(=O)Nc2nccs2)nc2ccccc2c1=O CC(C)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])Nc1nccs1
CC(C)n1c(SCC(=O)Nc2nccs2)nc2ccccc2c1=O c1csc(n1)[*:1] CC(C)n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
CCC[NH2+][C@@H]1CCC[C@H](COC(C)C)C1 CC(C)OC[*:1] CCC[NH2+][C@@H]1CCC[C@H](C1)[*:1]
CCC[NH2+][C@@H]1CCC[C@H](COC(C)C)C1 CCC[*:1] CC(C)OC[C@H]1CCC[C@H](C1)[NH2+][*:1]
CCC[NH2+][C@@H]1CCC[C@H](COC(C)C)C1 CC(C)O[*:1] CCC[NH2+][C@@H]1CCC[C@@H](C1)C[*:1]
CCC[NH2+][C@@H]1CCC[C@H](COC(C)C)C1 CC(C)[*:1] CCC[NH2+][C@@H]1CCC[C@H](CO[*:1])C1
O=C(Cc1ccccc1F)N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 Fc1ccccc1[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)Nc1ccc(F)c(Cl)c1
O=C(Cc1ccccc1F)N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 Fc1ccccc1C[*:1] O=C(Nc1ccc(F)c(Cl)c1)N1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccccc1F)N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 Fc1ccc(cc1Cl)[*:1] O=C(Cc1ccccc1F)N1CCN(CC1)C(=O)N[*:1]
Cc1ccc([C@H]2COCCN2C[C@@H]2C[C@@H]2c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@H]1COCCN1C[C@@H]1C[C@H]1[*:1]
Cc1ccc([C@H]2COCCN2C[C@@H]2C[C@@H]2c2ccccc2)o1 Cc1ccc(o1)[*:1] c1ccc(cc1)[C@H]1C[C@H]1CN1CCOC[C@@H]1[*:1]
Cc1ccc(-c2cc(C(=O)N3CCO[C@H](C)C3)n[nH]2)s1 Cc1ccc(s1)[*:1] C[C@@H]1CN(CCO1)C(=O)c1cc([nH]n1)[*:1]
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cc(C3CC3)on2)CC1 c1c(noc1C1CC1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cc(C3CC3)on2)CC1 C1CC1[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)c1cc(on1)[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)[C@H](CO)[NH2+][C@@H](C)C(=O)N1CCCC1 CC(C)[*:1] C[C@H]([NH2+][C@@H](CO)[*:1])C(=O)N1CCCC1
C[C@@H](c1ccco1)N(C)C(=O)C[C@H]1OC(=O)c2ccccc21 c1coc(c1)[*:1] C[C@@H](N(C)C(=O)C[C@H]1OC(=O)c2ccccc21)[*:1]
C[C@@H](c1ccco1)N(C)C(=O)C[C@H]1OC(=O)c2ccccc21 C[C@@H](c1ccco1)[*:1] CN(C(=O)C[C@H]1OC(=O)c2ccccc21)[*:1]
CCOc1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)-c1noc(n1)C1CCC1
CCOc1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1 C1CC(C1)[*:1] CCOc1ccc(cc1)NC(=O)c1cccc(c1)-c1noc(n1)[*:1]
CCOc1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1 C1CC(C1)c1nc(no1)[*:1] CCOc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CCOc1ccc(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1 CCOc1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)-c1noc(n1)C1CCC1
CCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 CCC[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)N[C@@H](Cc1ccccc1)[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 c1ccc(cc1)C[*:1] CCC[C@H](NC(=O)Nc1ccc(cc1)S(N)(=O)=O)[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 c1ccc(cc1)[*:1] CCC[C@H](C[*:1])NC(=O)Nc1ccc(cc1)S(N)(=O)=O
CN(CCc1noc(-c2ccc(F)cc2)n1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CN(CCc1noc(n1)-c1ccc(F)cc1)C(=O)NC[*:1]
CN(CCc1noc(-c2ccc(F)cc2)n1)C(=O)NC[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] CN(CCc1noc(n1)[*:1])C(=O)NC[C@@H]1CCCO1
Cc1ccc(CNC(=O)Nc2ccc(N3CCNC(=O)C3)[nH+]c2)cc1 O=C1CN(CCN1)[*:1] Cc1ccc(cc1)CNC(=O)Nc1ccc([nH+]c1)[*:1]
Cc1ccc(CNC(=O)Nc2ccc(N3CCNC(=O)C3)[nH+]c2)cc1 Cc1ccc(cc1)[*:1] O=C1CN(CCN1)c1ccc(c[nH+]1)NC(=O)NC[*:1]
Cc1ccc(CNC(=O)Nc2ccc(N3CCNC(=O)C3)[nH+]c2)cc1 Cc1ccc(cc1)C[*:1] O=C1CN(CCN1)c1ccc(c[nH+]1)NC(=O)N[*:1]
O=C(NNc1ccccc1Cl)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 Clc1ccccc1[*:1] O=C(NN[*:1])N[C@@H]1CCC[C@H](C1)C(F)(F)F
O=C(NNc1ccccc1Cl)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(NNc1ccccc1Cl)N[C@@H]1CCC[C@@H](C1)[*:1]
C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@H](C)S[C@@H]1NN=C(c2cccnc2)O1 c1cncc(c1)[*:1] C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@H](C)S[C@@H]1NN=C(O1)[*:1]
COc1ccc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)[nH]c2c1 O=S1(=O)CC[C@@H](C1)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N[*:1]
COC[C@@H](N[C@@H]1CCSc2c(Cl)cccc21)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@H](N[C@@H]1CCSc2c(Cl)cccc21)[*:1]
COC[C@@H](N[C@@H]1CCSc2c(Cl)cccc21)c1ccccc1 COC[*:1] Clc1cccc2c1SCC[C@H]2N[C@@H](c1ccccc1)[*:1]
CCn1nnnc1-c1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 CCn1nnnc1[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1)c1cccc(c1)[*:1]
Cc1nc(OC(C)C)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 CC(C)[*:1] Cc1nc(cc(n1)N1CCN(CC1)C(=O)Nc1ccccc1F)O[*:1]
Cc1nc(OC(C)C)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 Fc1ccccc1[*:1] Cc1nc(cc(n1)N1CCN(CC1)C(=O)N[*:1])OC(C)C
Cc1nc(OC(C)C)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 CC(C)O[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)Nc1ccccc1F
Cc1cc(Cl)cc2s/c(=N/C(=O)CCS(=O)(=O)c3ccc(F)cc3)n(C)c12 Fc1ccc(cc1)[*:1] Cc1cc(Cl)cc2s/c(=N/C(=O)CCS(=O)(=O)[*:1])n(C)c12
[NH3+]CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 c1ccc(nc1)[*:1] [NH3+]CC(=O)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
[NH3+]CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 c1ccc(C[*:1])nc1 [NH3+]CC(=O)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
CC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] CC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)ccc1O[*:1]
CC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)CO[*:1] CC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)ccc1[*:1]
CC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)ccc1OCc1ccc(C)cc1 CC(=O)[*:1] CC1Nc2nnnn2[C@@H](C=1[*:1])c1cc(Br)ccc1OCc1ccc(C)cc1
CC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC[*:1]
CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccccc2)cc1 CCc1ccc(cc1)C[*:1] O=C(/C=C/c1ccccc1)N(Cc1cccnc1)[*:1]
CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccccc2)cc1 c1cncc(c1)[*:1] CCc1ccc(cc1)CN(C[*:1])C(=O)/C=C/c1ccccc1
CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccccc2)cc1 C(=C[*:1])c1ccccc1 CCc1ccc(cc1)CN(Cc1cccnc1)C(=O)[*:1]
CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccccc2)cc1 c1cncc(c1)C[*:1] CCc1ccc(cc1)CN(C(=O)/C=C/c1ccccc1)[*:1]
CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccccc2)cc1 CCc1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1)N(Cc1cccnc1)C[*:1]
CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)CN(Cc1cccnc1)C(=O)C=C[*:1]
COCC[C@H](C)C(=O)Nc1cc(F)ccc1Oc1ccccc1 c1ccc(cc1)O[*:1] COCC[C@H](C)C(=O)Nc1cc(F)ccc1[*:1]
COCC[C@H](C)C(=O)Nc1cc(F)ccc1Oc1ccccc1 c1ccc(cc1)[*:1] COCC[C@H](C)C(=O)Nc1cc(F)ccc1O[*:1]
COCC[C@H](C)C(=O)Nc1cc(F)ccc1Oc1ccccc1 COC[*:1] C[C@@H](C[*:1])C(=O)Nc1cc(F)ccc1Oc1ccccc1
COCC[C@H](C)C(=O)Nc1cc(F)ccc1Oc1ccccc1 COCC[*:1] C[C@H](C(=O)Nc1cc(F)ccc1Oc1ccccc1)[*:1]
NC(=O)NCCCCC(=O)Nc1ccc(F)c(Cl)c1 NC(=O)NCC[*:1] O=C(CC[*:1])Nc1ccc(F)c(Cl)c1
NC(=O)NCCCCC(=O)Nc1ccc(F)c(Cl)c1 NC(=O)N[*:1] O=C(CCCC[*:1])Nc1ccc(F)c(Cl)c1
NC(=O)NCCCCC(=O)Nc1ccc(F)c(Cl)c1 NC(=O)NC[*:1] O=C(CCC[*:1])Nc1ccc(F)c(Cl)c1
CC(C)[C@H]1CN(C(=O)CNC(=O)c2c(F)cccc2Cl)CCS1 CC(C)[*:1] O=C(NCC(=O)N1CCS[C@H](C1)[*:1])c1c(F)cccc1Cl
CN(OCc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12 c1ccc(cc1)[*:1] CN(OC[*:1])c1nc(nc2ccccc12)-c1cccnc1
CN(OCc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12 c1ccc(cc1)C[*:1] CN(O[*:1])c1nc(nc2ccccc12)-c1cccnc1
CN(OCc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12 c1cncc(c1)[*:1] CN(OCc1ccccc1)c1nc(nc2ccccc12)[*:1]
COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])cc(Br)c1O O=C([O-])[*:1] COc1cc(/C=C2/CCc3c2nc2ccccc2c3[*:1])cc(Br)c1O
CCOC(=O)[C@]1(C)CCN(c2cncc(-n3ccnc3C)n2)C1 CCOC(=O)[*:1] Cc1nccn1-c1cncc(n1)N1CC[C@@](C)(C1)[*:1]
CCOC(=O)[C@]1(C)CCN(c2cncc(-n3ccnc3C)n2)C1 Cc1nccn1[*:1] CCOC(=O)[C@]1(C)CCN(C1)c1cncc(n1)[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccnn3C(C)C)ccc21 CC(C)n1nccc1[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccnn3C(C)C)ccc21 CC(C)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)Nc1ccnn1[*:1]
CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccon2)CC1 CNS(=O)(=O)[*:1] O=C(c1ccon1)N1CCN(CC1)c1ccccc1[*:1]
CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccon2)CC1 c1cc(no1)[*:1] CNS(=O)(=O)c1ccccc1N1CCN(CC1)C(=O)[*:1]
C[C@H](c1ccccn1)N(C)C(=O)N[C@H]1CCCc2ccccc21 c1ccc(nc1)[*:1] C[C@H](N(C)C(=O)N[C@H]1CCCc2ccccc21)[*:1]
CC(=O)NCCCSc1ncnc2c1cnn2-c1ccccc1 CC(=O)NC[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)SCC[*:1]
CC(=O)NCCCSc1ncnc2c1cnn2-c1ccccc1 CC(=O)NCC[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)SC[*:1]
CC(=O)NCCCSc1ncnc2c1cnn2-c1ccccc1 CC(=O)N[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)SCCC[*:1]
CC(=O)NCCCSc1ncnc2c1cnn2-c1ccccc1 CC(=O)NCCC[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)S[*:1]
CC(=O)NCCCSc1ncnc2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)NCCCSc1ncnc2c1cnn2[*:1]
COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(N)=O NS(=O)(=O)[*:1] COc1ccc(cc1C(=O)O[C@H](C)C(N)=O)[*:1]
COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(N)=O NC(=O)[*:1] COc1ccc(cc1C(=O)O[C@H](C)[*:1])S(N)(=O)=O
COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(N)=O C[C@H](C(N)=O)[*:1] COc1ccc(cc1C(=O)O[*:1])S(N)(=O)=O
COc1ccc(C2(CNC(=O)c3csc(C)n3)CCCC2)cc1 Cc1nc(cs1)[*:1] COc1ccc(cc1)C1(CCCC1)CNC(=O)[*:1]
CCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)[C@H]1CCS(=O)(=O)C1 c1cc2OCOc2cc1[*:1] CCN(C(=O)CSc1nnc(o1)[*:1])[C@H]1CCS(=O)(=O)C1
CCCc1cc([O-])[nH]/c(=N\[N+](=O)[O-])n1 CCC[*:1] O=[N+]([O-])/N=c1/nc(cc([O-])[nH]1)[*:1]
C[C@H]1Nc2ccccc2C[C@@H]1C(=O)N[C@@H]1CCCC1(C)C CC1(C)CCC[C@H]1[*:1] C[C@H]1Nc2ccccc2C[C@@H]1C(=O)N[*:1]
CCNC(=S)NN=C1CCC(C(C)(C)C)CC1 CC(C)(C)[*:1] CCNC(=S)NN=C1CCC(CC1)[*:1]
CC1=C2C(CSc3c(Cl)cccc3Cl)=CC(=O)N=C2S[C@H]1C(=O)[O-] Clc1cccc(Cl)c1[*:1] CC1=C2C(=CC(=O)N=C2S[C@H]1C(=O)[O-])CS[*:1]
CC1=C2C(CSc3c(Cl)cccc3Cl)=CC(=O)N=C2S[C@H]1C(=O)[O-] O=C([O-])[*:1] CC1=C2C(=CC(=O)N=C2S[C@@H]1[*:1])CSc1c(Cl)cccc1Cl
COc1ccccc1C1(CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CCCC1 COc1ccccc1[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)NCC1(CCCC1)[*:1]
COc1ccccc1C1(CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CCCC1 Fc1ccccc1[*:1] COc1ccccc1C1(CCCC1)CNC(=O)c1nn(c(C)cc1=O)[*:1]
COCc1c(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)sc2cccc(F)c12 COC[*:1] Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2sc3cccc(F)c3c2[*:1])c(C)c1
COCc1c(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)sc2cccc(F)c12 Cc1cc(C)c(c(C)c1)[*:1] COCc1c(sc2cccc(F)c12)C(=O)O[C@H](C)C(=O)N[*:1]
C[NH+](CCc1ccccc1)CC1(CS)CC1 SCC1(CC1)[*:1] C[NH+](CCc1ccccc1)C[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2ccco2)C1 CC(C)CCO[*:1] O=C(c1ccco1)N1CC[C@@H](C1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2ccco2)C1 CC(C)[*:1] O=C(c1ccco1)N1CC[C@@H](C1)OCC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2ccco2)C1 CC(C)C[*:1] O=C(c1ccco1)N1CC[C@@H](C1)OC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2ccco2)C1 c1coc(c1)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)c2ccco2)C1 CC(C)CC[*:1] O=C(c1ccco1)N1CC[C@@H](C1)O[*:1]
CCn1cc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c(C)n1 Clc1ccccc1[*:1] CCn1cc(C(=O)/C=C/c2ccc(o2)[*:1])c(C)n1
CCn1cc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c(C)n1 CCn1cc(c(C)n1)[*:1] O=C(/C=C/c1ccc(o1)-c1ccccc1Cl)[*:1]
CC(C)CNC(=O)C[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1 CC(C)CNC(=O)C[*:1] O=C1c2ccccc2C(=O)N1CC1CC[NH+](CC1)[*:1]
CC(C)CNC(=O)C[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1 CC(C)CNC(=O)[*:1] O=C1c2ccccc2C(=O)N1CC1CC[NH+](CC1)C[*:1]
CC(C)CNC(=O)C[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1 CC(C)C[*:1] O=C(C[NH+]1CCC(CC1)CN1C(=O)c2ccccc2C1=O)N[*:1]
CC(C)CNC(=O)C[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1 CC(C)[*:1] O=C(C[NH+]1CCC(CC1)CN1C(=O)c2ccccc2C1=O)NC[*:1]
Cc1cncc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1 Cc1cncc(c1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])N1CCCCCC1
C[NH+](Cc1csc(CS(C)(=O)=O)n1)C1CCCCCCC1 CS(=O)(=O)C[*:1] C[NH+](Cc1csc(n1)[*:1])C1CCCCCCC1
C[NH+](Cc1csc(CS(C)(=O)=O)n1)C1CCCCCCC1 CS(=O)(=O)[*:1] C[NH+](Cc1csc(C[*:1])n1)C1CCCCCCC1
COc1ccc([C@H]2CCCCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 COc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)CS(=O)(=O)N1CCCCC[C@@H]1[*:1]
COc1ccc([C@H]2CCCCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CCCCCN1S(=O)(=O)C[*:1]
COc1ccc([C@H]2CCCCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@H]1CCCCCN1S(=O)(=O)Cc1ccc(cc1)[*:1]
CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1Br c1ccc(cc1)[*:1] CS(=O)(=O)N(CC(=O)N1CCN(CC1)C[*:1])c1ccccc1Br
CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1Br Brc1ccccc1[*:1] CS(=O)(=O)N(CC(=O)N1CCN(CC1)Cc1ccccc1)[*:1]
CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1Br c1ccc(cc1)C[*:1] CS(=O)(=O)N(CC(=O)N1CCN(CC1)[*:1])c1ccccc1Br
Cc1nn(CCNC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)c(C)c1Br Cc1nn(C[*:1])c(C)c1Br Cc1nn(CC(=O)NC[*:1])c2nc(cc(c12)C(F)(F)F)C1CC1
Cc1nn(CCNC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)c(C)c1Br Cc1nn(CC[*:1])c(C)c1Br Cc1nn(CC(=O)N[*:1])c2nc(cc(c12)C(F)(F)F)C1CC1
Cc1nn(CCNC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)c(C)c1Br Cc1nn(c(C)c1Br)[*:1] Cc1nn(CC(=O)NCC[*:1])c2nc(cc(c12)C(F)(F)F)C1CC1
Cc1nn(CCNC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)c(C)c1Br FC(F)(F)[*:1] Cc1nn(CCNC(=O)Cn2nc(C)c3c(cc(nc32)C2CC2)[*:1])c(C)c1Br
Cc1nn(CCNC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)c(C)c1Br C1CC1[*:1] Cc1nn(CCNC(=O)Cn2nc(C)c3c(cc(nc32)[*:1])C(F)(F)F)c(C)c1Br
COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3ccc4c(c3)OCO4)nc2c1 COC(=O)[*:1] O=C(OCc1nc2cc(ccc2c(=O)[nH]1)[*:1])c1ccc2OCOc2c1
COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3ccc4c(c3)OCO4)nc2c1 c1cc2OCOc2cc1[*:1] COC(=O)c1ccc2c(=O)[nH]c(COC(=O)[*:1])nc2c1
CC[C@H](C(=O)c1ccccc1)n1nnc2ccccc21 c1ccc(cc1)[*:1] CC[C@H](C(=O)[*:1])n1nnc2ccccc21
Nc1nc(N2CC[C@H](CO)C2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(ccc1[*:1])N1CC[C@H](CO)C1
CCc1c(N)nnn1Cc1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCc1c(N)nnn1Cc1noc(n1)[*:1]
C[C@H](C(=O)N1CCCCC1)N1CCN(c2cncc(C(N)=O)n2)CC1 O=C(N1CCCCC1)[*:1] C[C@H](N1CCN(CC1)c1cncc(n1)C(N)=O)[*:1]
C[C@H](C(=O)N1CCCCC1)N1CCN(c2cncc(C(N)=O)n2)CC1 NC(=O)[*:1] C[C@H](C(=O)N1CCCCC1)N1CCN(CC1)c1cncc(n1)[*:1]
CC(C)[C@@H]1CN(CC2CCC2)c2ccccc2C[NH2+]1 C1CC(C1)C[*:1] CC(C)[C@@H]1CN(c2ccccc2C[NH2+]1)[*:1]
CC(C)[C@@H]1CN(CC2CCC2)c2ccccc2C[NH2+]1 C1CC(C1)[*:1] CC(C)[C@@H]1CN(C[*:1])c2ccccc2C[NH2+]1
CC(C)[C@@H]1CN(CC2CCC2)c2ccccc2C[NH2+]1 CC(C)[*:1] c1ccc2c(c1)C[NH2+][C@@H](CN2CC1CCC1)[*:1]
COC(=O)c1c(NC(=O)c2ccno2)sc2c1CC[NH+](C(C)C)C2 COC(=O)[*:1] CC(C)[NH+]1CCc2c(C1)sc(NC(=O)c1ccno1)c2[*:1]
COC(=O)c1c(NC(=O)c2ccno2)sc2c1CC[NH+](C(C)C)C2 CC(C)[*:1] COC(=O)c1c(NC(=O)c2ccno2)sc2C[NH+](CCc21)[*:1]
COC(=O)c1c(NC(=O)c2ccno2)sc2c1CC[NH+](C(C)C)C2 c1cc(on1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc2C[NH+](CCc21)C(C)C
COC(=O)c1c(NC(=O)c2ccno2)sc2c1CC[NH+](C(C)C)C2 O=C(N[*:1])c1ccno1 COC(=O)c1c(sc2C[NH+](CCc21)C(C)C)[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CC(C)C[*:1] Cc1nn(c(C)c1CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
Cc1cccc(C(=O)NCC(=O)N/N=C/c2c(Cl)cccc2Cl)c1 Clc1cccc(Cl)c1[*:1] Cc1cccc(c1)C(=O)NCC(=O)NN=C[*:1]
Cc1cccc(C(=O)NCC(=O)N/N=C/c2c(Cl)cccc2Cl)c1 Cc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])N/N=C/c1c(Cl)cccc1Cl
CCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] CCCS(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 CCC[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 Cc1cccnc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cccc2ccccc12
COC(=O)c1sc2nc(/C=C/c3ccc(Cl)cc3)[nH]c(=O)c2c1C Clc1ccc(cc1)[*:1] COC(=O)c1sc2nc(C=C[*:1])[nH]c(=O)c2c1C
COC(=O)c1sc2nc(/C=C/c3ccc(Cl)cc3)[nH]c(=O)c2c1C COC(=O)[*:1] Cc1c(sc2nc(/C=C/c3ccc(Cl)cc3)[nH]c(=O)c12)[*:1]
O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 Clc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc2c(c1)NC(=O)[C@@H]1CCCN21
CC(=O)Nc1c(C)cc(NC(=O)N[C@H](C)[C@H]2CCCO2)cc1C C1CO[C@H](C1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N[C@H](C)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N[C@H](C)[C@H]2CCCO2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)N[C@H](C)[C@H]1CCCO1
CC1(C)O[C@](C)(C(C)(C)O)CC[C@H]1C(=O)[O-] CC(C)(O)[*:1] CC1(C)O[C@](C)(CC[C@H]1C(=O)[O-])[*:1]
CC1(C)O[C@](C)(C(C)(C)O)CC[C@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)O[C@@](C)(CC[C@@H]1[*:1])C(C)(C)O
C[C@H]1CCN(C(=O)Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 c1ccc(cc1)[*:1] C[C@H]1CCN(C(=O)Cc2cc(on2)[*:1])[C@@H](C)C1
Cn1ccc(NS(=O)(=O)CC[C@H]2CCCO2)n1 C1CO[C@H](C1)[*:1] Cn1ccc(n1)NS(=O)(=O)CC[*:1]
Cc1nn([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(=O)c2c(C)n(-c3ccccc3)nc12 NS(=O)(=O)[*:1] Cc1nn(c(=O)c2c(C)n(nc12)-c1ccccc1)[C@H](C)C(=O)NCCc1ccc(cc1)[*:1]
Cc1nn([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(=O)c2c(C)n(-c3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1nn(c(=O)c2c(C)n(nc12)[*:1])[C@H](C)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Cc1nn([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(=O)c2c(C)n(-c3ccccc3)nc12 NS(=O)(=O)c1ccc(cc1)[*:1] Cc1nn(c(=O)c2c(C)n(nc12)-c1ccccc1)[C@H](C)C(=O)NCC[*:1]
Cc1nn([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(=O)c2c(C)n(-c3ccccc3)nc12 NS(=O)(=O)c1ccc(cc1)C[*:1] Cc1nn(c(=O)c2c(C)n(nc12)-c1ccccc1)[C@H](C)C(=O)NC[*:1]
O=C(C1CCN(c2ccccc2F)CC1)N1CCc2ccccc2C1 Fc1ccccc1[*:1] O=C(C1CCN(CC1)[*:1])N1CCc2ccccc2C1
O=C(Nc1ccc(NC(=O)c2ccco2)cc1)Nc1cccnc1-n1cccn1 c1cnn(c1)[*:1] O=C(Nc1ccc(cc1)NC(=O)c1ccco1)Nc1cccnc1[*:1]
O=C(Nc1ccc(NC(=O)c2ccco2)cc1)Nc1cccnc1-n1cccn1 O=C(N[*:1])c1ccco1 O=C(Nc1ccc(cc1)[*:1])Nc1cccnc1-n1cccn1
O=C(Nc1ccc(NC(=O)c2ccco2)cc1)Nc1cccnc1-n1cccn1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])Nc1cccnc1-n1cccn1
CC[C@H](NC(=O)c1csc(S(N)(=O)=O)c1C)C(C)C CC(C)[*:1] CC[C@H](NC(=O)c1csc(c1C)S(N)(=O)=O)[*:1]
CC[C@H](NC(=O)c1csc(S(N)(=O)=O)c1C)C(C)C NS(=O)(=O)[*:1] CC[C@H](NC(=O)c1csc(c1C)[*:1])C(C)C
CC[C@H](NC(=O)c1csc(S(N)(=O)=O)c1C)C(C)C CC[C@H](C(C)C)[*:1] Cc1c(csc1S(N)(=O)=O)C(=O)N[*:1]
COC(=O)[C@H]1N=CC(c2ccccc2)=C1N=C=S c1ccc(cc1)[*:1] COC(=O)[C@H]1N=CC(=C1N=C=S)[*:1]
COC(=O)[C@H]1N=CC(c2ccccc2)=C1N=C=S COC(=O)[*:1] S=C=NC1=C(C=N[C@@H]1[*:1])c1ccccc1
COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccc(C)s2)c1 Cc1ccc(s1)[*:1] COc1ccc(OC)c(c1)[C@@H](O)CNC(=O)[*:1]
O=C1C[C@H](c2cn[nH]c2C(=O)[O-])c2c(-c3cccs3)n[nH]c2N1 O=C([O-])[*:1] O=C1C[C@H](c2cn[nH]c2[*:1])c2c(n[nH]c2N1)-c1cccs1
O=C1C[C@H](c2cn[nH]c2C(=O)[O-])c2c(-c3cccs3)n[nH]c2N1 c1csc(c1)[*:1] O=C1C[C@H](c2cn[nH]c2C(=O)[O-])c2c(n[nH]c2N1)[*:1]
OCCOCCN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 OCC[*:1] C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(CCO[*:1])CC1
OCCOCCN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 OCCO[*:1] C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(CC1)CC[*:1]
OCCOCCN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 OCCOC[*:1] C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(CC1)C[*:1]
OCCOCCN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 OCCOCC[*:1] C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(CC1)[*:1]
CCN(CC)C(=O)N1CCC(C(=O)Nc2cc(C(C)C)c(O)cc2C)CC1 CC(C)[*:1] CCN(CC)C(=O)N1CCC(CC1)C(=O)Nc1cc(c(O)cc1C)[*:1]
Cc1c(NC(=O)/C=C/C2CC2)cccc1C(=O)N1CCSCC1 C(=C[*:1])C1CC1 Cc1c(cccc1C(=O)N1CCSCC1)NC(=O)[*:1]
Cc1c(NC(=O)/C=C/C2CC2)cccc1C(=O)N1CCSCC1 C1CC1[*:1] Cc1c(cccc1C(=O)N1CCSCC1)NC(=O)C=C[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NCCc1ccc(F)cc1 Fc1ccc(c(F)c1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])NCCc1ccc(F)cc1
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NCCc1ccc(F)cc1 Fc1ccc(cc1)CC[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)N[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NC[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NCC[*:1]
N/C(=N\O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 N/C(=N\O)[*:1] Clc1ccc(COc2ccc(cc2)[*:1])c(Cl)c1
CC(C)(C)Nc1c(-c2cccc(F)c2)nc2sc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nn12 Fc1ccc(cc1)[*:1] CC(C)(C)Nc1c(nc2sc(nn12)N1CCN(CC1)C(=O)[*:1])-c1cccc(F)c1
CC(C)(C)Nc1c(-c2cccc(F)c2)nc2sc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nn12 Fc1cccc(c1)[*:1] CC(C)(C)Nc1c(nc2sc(nn12)N1CCN(CC1)C(=O)c1ccc(F)cc1)[*:1]
CC(C)(C)Nc1c(-c2cccc(F)c2)nc2sc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nn12 CC(C)(C)[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)c1nn2c(N[*:1])c(nc2s1)-c1cccc(F)c1
CC(C)(C)Nc1c(-c2cccc(F)c2)nc2sc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nn12 CC(C)(C)N[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)c1nn2c(c(nc2s1)-c1cccc(F)c1)[*:1]
COc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1 COc1ccc(cc1)[*:1] O=C(NNS(=O)(=O)[*:1])c1cc2CCCCCc2s1
Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1 Cn1ccnc1[*:1] O=C(N[C@@H](c1cccc(F)c1)[*:1])c1ccc(Cl)c(Cl)c1
Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1 Clc1ccc(cc1Cl)[*:1] Cn1ccnc1[C@@H](NC(=O)[*:1])c1cccc(F)c1
Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)[*:1]
O=C(Cn1nnc2ccccc2c1=O)NC[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C(Cn1nnc2ccccc2c1=O)NC[*:1]
O=C(Cn1nnc2ccccc2c1=O)NC[C@@H]1CCOC1 C1C[C@H](CO1)C[*:1] O=C(Cn1nnc2ccccc2c1=O)N[*:1]
Cc1ccc2c(CC(=O)N(C)C[C@H](O)CN3CCOCC3)coc2c1 C1CN(CCO1)[*:1] Cc1ccc2c(coc2c1)CC(=O)N(C)C[C@H](O)C[*:1]
Cc1ccc2c(CC(=O)N(C)C[C@H](O)CN3CCOCC3)coc2c1 C1CN(CCO1)C[*:1] Cc1ccc2c(coc2c1)CC(=O)N(C)C[C@H](O)[*:1]
C[C@H]1CN(CC2=Cc3ccccc3OC2)CCN1CC(F)(F)F FC(F)(F)C[*:1] C[C@H]1CN(CCN1[*:1])CC1=Cc2ccccc2OC1
C[C@H]1CN(CC2=Cc3ccccc3OC2)CCN1CC(F)(F)F FC(F)(F)[*:1] C[C@H]1CN(CCN1C[*:1])CC1=Cc2ccccc2OC1
COC(=O)CCC(=O)NC(C)(C)c1cccc(F)c1 COC(=O)CC[*:1] CC(C)(NC(=O)[*:1])c1cccc(F)c1
COC(=O)CCC(=O)NC(C)(C)c1cccc(F)c1 COC(=O)C[*:1] CC(C)(NC(=O)C[*:1])c1cccc(F)c1
COC(=O)CCC(=O)NC(C)(C)c1cccc(F)c1 COC(=O)[*:1] CC(C)(NC(=O)CC[*:1])c1cccc(F)c1
Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3[C@@H](C)CCC[C@@H]3C)n2)s1 Cc1ccc(s1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc(cc(N)c1=O)[*:1]
CCCc1nn(C)c2c1[nH]c(=S)n2[C@H]1CCC(=O)N(C)C1 CCC[*:1] CN1C[C@H](CCC1=O)n1c(=S)[nH]c2c(nn(C)c21)[*:1]
C[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)[O-] CC(C)(C)[*:1] C[C@@H](NC(=O)[C@@H](C)NC(=O)[*:1])C(=O)[O-]
C[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C)[*:1]
C[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)[O-] C[C@@H](C(=O)[O-])[*:1] C[C@@H](NC(=O)C(C)(C)C)C(=O)N[*:1]
COc1ccc([C@H](CNC(=O)Cc2ccc(F)cc2F)[NH+](C)C)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)C[*:1])[NH+](C)C
COc1ccc([C@H](CNC(=O)Cc2ccc(F)cc2F)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1F)[*:1]
C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccco1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)OC[*:1])C(=O)NNC(=O)c1ccco1
C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccco1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)O[*:1])C(=O)NNC(=O)c1ccco1
C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[*:1]
C[C@@H]1CC[C@@H](Nc2ccc(S(N)(=O)=O)c(N)c2)[C@H](C)C1 NS(=O)(=O)[*:1] C[C@@H]1CC[C@@H](Nc2ccc(c(N)c2)[*:1])[C@H](C)C1
N#CCN1CCN(C/C=C/c2ccco2)CC1 N#CC[*:1] C(=C/c1ccco1)\CN1CCN(CC1)[*:1]
N#CCN1CCN(C/C=C/c2ccco2)CC1 c1coc(c1)[*:1] N#CCN1CCN(CC=C[*:1])CC1
C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)[O-] O=[N+]([O-])[*:1] C[C@H]([NH2+]CCc1ccc(cc1)[*:1])[C@@H](C)C(=O)[O-]
C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+]CCc1ccc(cc1)[N+](=O)[O-])[C@@H](C)[*:1]
Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCOC[C@@H]1CCCO1 Cc1ccccc1[*:1] O=C(NCCOC[C@@H]1CCCO1)[C@H]1C[C@@H]1[*:1]
Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCOC[*:1]
Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCC[*:1]
Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCOC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCO[*:1]
NC(=O)c1ccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] NC(=O)c1ccc(cc1)C(=O)NN(Cc1ccccc1)[*:1]
NC(=O)c1ccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(NN(Cc1ccccc1)Cc1ccccc1)[*:1]
NC(=O)c1ccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)C(=O)NN(Cc1ccccc1)C[*:1]
NC(=O)c1ccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1 NC(=O)[*:1] O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccc(cc1)[*:1]
CSCC[C@H](C)N(C)C(=O)CNC(=O)c1ccoc1 CSCC[C@H](C)[*:1] CN(C(=O)CNC(=O)c1ccoc1)[*:1]
CSCC[C@H](C)N(C)C(=O)CNC(=O)c1ccoc1 c1cc(co1)[*:1] CSCC[C@H](C)N(C)C(=O)CNC(=O)[*:1]
CSCC[C@H](C)N(C)C(=O)CNC(=O)c1ccoc1 CSCC[*:1] C[C@H](N(C)C(=O)CNC(=O)c1ccoc1)[*:1]
CSCC[C@H](C)N(C)C(=O)CNC(=O)c1ccoc1 CSC[*:1] C[C@@H](C[*:1])N(C)C(=O)CNC(=O)c1ccoc1
C[C@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)c1cccc(OC(F)F)c1 Fc1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1cnn(c1)[*:1])c1cccc(c1)OC(F)F
C[C@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H]([NH2+]Cc1cnn(c1)-c1ccc(F)cc1)c1cccc(c1)[*:1]
C[C@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H]([NH2+]Cc1cnn(c1)-c1ccc(F)cc1)c1cccc(c1)O[*:1]
Cc1ccc(CCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 Cc1ccc(cc1)CC[*:1] O=C(CN1C(=O)c2cccc3cccc1c23)NC[*:1]
Cc1ccc(CCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 Cc1ccc(cc1)[*:1] O=C(CN1C(=O)c2cccc3cccc1c23)NCCC[*:1]
Cc1ccc(CCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 Cc1ccc(cc1)C[*:1] O=C(CN1C(=O)c2cccc3cccc1c23)NCC[*:1]
Cc1ccccc1C(=O)NCCC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 Cc1ccccc1[*:1] O=C(CCNC(=O)[*:1])N1CCC[C@@H](C1)c1nc2ccccc2[nH]1
Cc1ccccc1C(=O)NCCC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 c1ccc2[nH]c(nc2c1)[*:1] Cc1ccccc1C(=O)NCCC(=O)N1CCC[C@H](C1)[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Oc1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Oc1cccc(c1C)[*:1]
CCn1nc(C)cc1C(=O)Nc1nnc(-c2cc(C)oc2C)o1 Cc1cc(c(C)o1)[*:1] CCn1nc(C)cc1C(=O)Nc1nnc(o1)[*:1]
C=CCNC(=S)NNC(=O)c1csc(-c2cccs2)n1 C=CC[*:1] O=C(NNC(=S)N[*:1])c1csc(n1)-c1cccs1
C=CCNC(=S)NNC(=O)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] C=CCNC(=S)NNC(=O)c1csc(n1)[*:1]
Cc1ccc(CC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1O c1ccc(nc1)[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](c1cccc(Cl)c1)[*:1]
Cc1ccc(CC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1O Clc1cccc(c1)[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](c1ccccn1)[*:1]
Cc1ccc(CC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1O Cc1ccc(cc1O)[*:1] O=C(C[*:1])N[C@H](c1cccc(Cl)c1)c1ccccn1
CC(C)CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)C1 CC(C)C[*:1] NC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C2)C[*:1])c(F)c1
CC(C)CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)C1 NC(=O)[*:1] CC(C)CC[C@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(cc1F)[*:1]
CC(C)CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)C1 CC(C)CC[*:1] NC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C2)[*:1])c(F)c1
CC(C)CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2F)C1 CC(C)[*:1] NC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CC[*:1])C2)c(F)c1
CC(C)N(C)C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl CC(C)[*:1] C[C@H](NC(=O)N(C)[*:1])c1c(Cl)ccc(F)c1Cl
COC(=O)C1=NN[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 C1CCC(CC1)[*:1] COC(=O)C1=NN[C@H]2C(=O)N(C(=O)[C@H]12)[*:1]
CCN(CC(C)(C)O)C(=O)Cc1ccc(F)cc1F CC(C)(O)C[*:1] CCN(C(=O)Cc1ccc(F)cc1F)[*:1]
CCN(CC(C)(C)O)C(=O)Cc1ccc(F)cc1F CC(C)(O)[*:1] CCN(C[*:1])C(=O)Cc1ccc(F)cc1F
COc1cccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1OC(C)C O=C1CCCCN1C[*:1] COc1cccc(C[NH+]2CCC(CC2)[*:1])c1OC(C)C
COc1cccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1OC(C)C CC(C)[*:1] COc1cccc(C[NH+]2CCC(CC2)CN2CCCCC2=O)c1O[*:1]
COc1cccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1OC(C)C O=C1CCCCN1[*:1] COc1cccc(C[NH+]2CCC(CC2)C[*:1])c1OC(C)C
COc1cccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1OC(C)C CC(C)O[*:1] COc1cccc(C[NH+]2CCC(CC2)CN2CCCCC2=O)c1[*:1]
COc1ccc([C@@H](C#N)c2cnccn2)cc1OC c1cnc(cn1)[*:1] COc1ccc(cc1OC)[C@@H](C#N)[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2cscn2)C1 c1nc(cs1)C[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N[*:1])C1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2cscn2)C1 CC(C)C[*:1] O=C(C[C@@H]1CCCN(C1)C(=O)N[*:1])NCc1cscn1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2cscn2)C1 CC(C)[*:1] O=C(C[C@@H]1CCCN(C1)C(=O)NC[*:1])NCc1cscn1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2cscn2)C1 c1nc(cs1)[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NC[*:1])C1
CC(=O)N[C@@H](C(=O)Nc1ccc(Br)nc1C)C1CCCC1 CC(=O)N[*:1] Cc1nc(Br)ccc1NC(=O)[C@@H](C1CCCC1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccc(Br)nc1C)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)Nc1ccc(Br)nc1C)[*:1]
C[C@H](CCS)CCN1CCOCC1(C)C SCC[*:1] C[C@H](CCN1CCOCC1(C)C)[*:1]
C[C@H](CCS)CCN1CCOCC1(C)C C[C@H](CCS)[*:1] CC1(C)COCCN1CC[*:1]
CCc1ccc([C@H]2C[NH+]=C(N)N2C2CCCC2)s1 C1CCC(C1)[*:1] CCc1ccc(s1)[C@H]1C[NH+]=C(N)N1[*:1]
C[C@@H](SCc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] C[C@@H](SCc1ccc(cc1)C(=O)N(C)C)C(=O)N[*:1]
C[C@@H](SCc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1cc(F)ccc1F CN(C)C(=O)[*:1] C[C@@H](SCc1ccc(cc1)[*:1])C(=O)Nc1cc(F)ccc1F
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)Cc1ccccc1F ClCC[*:1] Cc1nn(c(C)c1C(=O)NNC(=O)Cc1ccccc1F)[*:1]
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)Cc1ccccc1F Fc1ccccc1[*:1] Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)C[*:1]
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)Cc1ccccc1F Fc1ccccc1C[*:1] Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)[*:1]
O=C(CSCC(F)(F)F)N[C@H]1CCN(C(=O)C2CCCC2)C1 FC(F)(F)CS[*:1] O=C(C[*:1])N[C@H]1CCN(C1)C(=O)C1CCCC1
O=C(CSCC(F)(F)F)N[C@H]1CCN(C(=O)C2CCCC2)C1 FC(F)(F)CSC[*:1] O=C(C1CCCC1)N1CC[C@@H](C1)NC(=O)[*:1]
O=C(CSCC(F)(F)F)N[C@H]1CCN(C(=O)C2CCCC2)C1 FC(F)(F)[*:1] O=C(CSC[*:1])N[C@H]1CCN(C1)C(=O)C1CCCC1
O=C(CSCC(F)(F)F)N[C@H]1CCN(C(=O)C2CCCC2)C1 C1CCC(C1)[*:1] O=C(CSCC(F)(F)F)N[C@H]1CCN(C1)C(=O)[*:1]
O=C(CSCC(F)(F)F)N[C@H]1CCN(C(=O)C2CCCC2)C1 FC(F)(F)C[*:1] O=C(CS[*:1])N[C@H]1CCN(C1)C(=O)C1CCCC1
CCCCCN1C[C@@H](C(=O)NC2CCCCC2)CC1=O CCCCC[*:1] O=C(NC1CCCCC1)[C@H]1CC(=O)N(C1)[*:1]
CCCCCN1C[C@@H](C(=O)NC2CCCCC2)CC1=O CCCC[*:1] O=C(NC1CCCCC1)[C@H]1CC(=O)N(C1)C[*:1]
CCCCCN1C[C@@H](C(=O)NC2CCCCC2)CC1=O CCC[*:1] O=C(NC1CCCCC1)[C@H]1CC(=O)N(CC[*:1])C1
CCCCCN1C[C@@H](C(=O)NC2CCCCC2)CC1=O C1CCC(CC1)[*:1] CCCCCN1C[C@H](CC1=O)C(=O)N[*:1]
CCCCc1nc(C)c(C[NH2+]C(C)(C)C)c(C)n1 CC(C)(C)[*:1] CCCCc1nc(C)c(C[NH2+][*:1])c(C)n1
CCCCc1nc(C)c(C[NH2+]C(C)(C)C)c(C)n1 CCCC[*:1] Cc1nc(nc(C)c1C[NH2+]C(C)(C)C)[*:1]
CCCCc1nc(C)c(C[NH2+]C(C)(C)C)c(C)n1 CCC[*:1] Cc1nc(C[*:1])nc(C)c1C[NH2+]C(C)(C)C
CC[C@](C)([C@H]([NH3+])CCc1ccc2c(c1)CCO2)N(C)C CN(C)[*:1] CC[C@](C)([C@H]([NH3+])CCc1ccc2OCCc2c1)[*:1]
Cc1cccc(N(CCC(N)=O)C(=O)Cc2ccc[nH]2)c1 NC(=O)[*:1] Cc1cccc(c1)N(CC[*:1])C(=O)Cc1ccc[nH]1
Cc1cccc(N(CCC(N)=O)C(=O)Cc2ccc[nH]2)c1 Cc1cccc(c1)[*:1] NC(=O)CCN(C(=O)Cc1ccc[nH]1)[*:1]
Cc1cccc(N(CCC(N)=O)C(=O)Cc2ccc[nH]2)c1 c1c[nH]c(c1)C[*:1] Cc1cccc(c1)N(CCC(N)=O)C(=O)[*:1]
Cc1cccc(N(CCC(N)=O)C(=O)Cc2ccc[nH]2)c1 c1c[nH]c(c1)[*:1] Cc1cccc(c1)N(CCC(N)=O)C(=O)C[*:1]
Cc1cccc(N(CCC(N)=O)C(=O)Cc2ccc[nH]2)c1 NC(=O)CC[*:1] Cc1cccc(c1)N(C(=O)Cc1ccc[nH]1)[*:1]
Cc1cccc(N(CCC(N)=O)C(=O)Cc2ccc[nH]2)c1 NC(=O)C[*:1] Cc1cccc(c1)N(C[*:1])C(=O)Cc1ccc[nH]1
O=C1N(Cc2cccc(C(F)(F)F)c2)c2ccccc2C12OCC(CO)([N+](=O)[O-])CO2 FC(F)(F)[*:1] O=C1N(Cc2cccc(c2)[*:1])c2ccccc2C12OCC(CO)(CO2)[N+](=O)[O-]
O=C1N(Cc2cccc(C(F)(F)F)c2)c2ccccc2C12OCC(CO)([N+](=O)[O-])CO2 FC(F)(F)c1cccc(c1)[*:1] O=C1N(C[*:1])c2ccccc2C12OCC(CO)(CO2)[N+](=O)[O-]
O=C1N(Cc2cccc(C(F)(F)F)c2)c2ccccc2C12OCC(CO)([N+](=O)[O-])CO2 O=[N+]([O-])[*:1] O=C1N(Cc2cccc(c2)C(F)(F)F)c2ccccc2C12OCC(CO)(CO2)[*:1]
Cc1ccccc1C[NH+]1CCCN(S(=O)(=O)N2CCC(C)CC2)CC1 Cc1ccccc1[*:1] CC1CCN(CC1)S(=O)(=O)N1CCC[NH+](CC1)C[*:1]
Cc1ccccc1C[NH+]1CCCN(S(=O)(=O)N2CCC(C)CC2)CC1 Cc1ccccc1C[*:1] CC1CCN(CC1)S(=O)(=O)N1CCC[NH+](CC1)[*:1]
Cc1ccccc1C(=O)N1CSC[C@H]1C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1C(=O)N1CSC[C@@H]1[*:1]
C[C@@H](C(=O)NCCC1=CCCCC1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)NCCC1=CCCCC1)[*:1]
COc1ccc(N2C(=O)C[C@H](SCCO)C2=O)cc1 OCCS[*:1] COc1ccc(cc1)N1C(=O)C[C@H](C1=O)[*:1]
COc1ccc(N2C(=O)C[C@H](SCCO)C2=O)cc1 OCC[*:1] COc1ccc(cc1)N1C(=O)C[C@H](S[*:1])C1=O
C[C@H](Oc1ccccc1)C(=O)NCC(C)(C)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NCC(C)(C)[C@@H](O)c1ccccc1
C[C@H](Oc1ccccc1)C(=O)NCC(C)(C)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1)C(=O)NCC(C)(C)[C@@H](O)[*:1]
C[C@H](Oc1ccccc1)C(=O)NCC(C)(C)[C@@H](O)c1ccccc1 c1ccc(cc1)O[*:1] C[C@H](C(=O)NCC(C)(C)[C@@H](O)c1ccccc1)[*:1]
C[C@H](Oc1ccccc1)C(=O)NCC(C)(C)[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] C[C@H](Oc1ccccc1)C(=O)NCC(C)(C)[*:1]
O=C(Nc1ccc(SC(F)F)cc1)c1ccoc1 FC(F)[*:1] O=C(Nc1ccc(cc1)S[*:1])c1ccoc1
O=C(Nc1ccc(SC(F)F)cc1)c1ccoc1 FC(F)S[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccoc1
O=C(Nc1ccc(SC(F)F)cc1)c1ccoc1 c1cc(co1)[*:1] O=C(Nc1ccc(cc1)SC(F)F)[*:1]
Cc1cc(C)n(-c2ccc(CNC(=O)C#Cc3ccccc3)cn2)n1 C(#C[*:1])c1ccccc1 Cc1cc(C)n(n1)-c1ccc(cn1)CNC(=O)[*:1]
Cc1cc(C)n(-c2ccc(CNC(=O)C#Cc3ccccc3)cn2)n1 Cc1cc(C)n(n1)[*:1] O=C(C#Cc1ccccc1)NCc1ccc(nc1)[*:1]
Cc1cc(C)n(-c2ccc(CNC(=O)C#Cc3ccccc3)cn2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)CNC(=O)C#C[*:1]
COC(=O)Cn1c(S[C@H](C(=O)N(C)C)C(C)C)nc2ccccc2c1=O CC(C)[*:1] COC(=O)Cn1c(nc2ccccc2c1=O)S[C@H](C(=O)N(C)C)[*:1]
COC(=O)Cn1c(S[C@H](C(=O)N(C)C)C(C)C)nc2ccccc2c1=O COC(=O)[*:1] CC(C)[C@H](Sc1nc2ccccc2c(=O)n1C[*:1])C(=O)N(C)C
COC(=O)Cn1c(S[C@H](C(=O)N(C)C)C(C)C)nc2ccccc2c1=O CN(C)C(=O)[*:1] COC(=O)Cn1c(nc2ccccc2c1=O)S[C@H](C(C)C)[*:1]
COC(=O)Cn1c(S[C@H](C(=O)N(C)C)C(C)C)nc2ccccc2c1=O COC(=O)C[*:1] CC(C)[C@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)N(C)C
O=C(Nc1ccccc1F)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 c1ccc(cc1)[*:1] O=C(Nc1ccccc1F)[C@@H]1CC(O)=Nc2c(cnn21)[*:1]
O=C(Nc1ccccc1F)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 Fc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CC(O)=Nc2c(cnn21)-c1ccccc1
Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1F Clc1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)[C@H](C)NS(=O)(=O)[*:1]
Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
CCOC(=O)CN1c2ccccc2NC(=O)C[C@H]1C CCOC(=O)C[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1[*:1]
CCOC(=O)CN1c2ccccc2NC(=O)C[C@H]1C CCOC(=O)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C[*:1]
COc1ccccc1[C@H](C#N)NC(=O)CSCC(F)(F)F FC(F)(F)CS[*:1] COc1ccccc1[C@H](C#N)NC(=O)C[*:1]
COc1ccccc1[C@H](C#N)NC(=O)CSCC(F)(F)F FC(F)(F)C[*:1] COc1ccccc1[C@H](C#N)NC(=O)CS[*:1]
COc1ccccc1[C@H](C#N)NC(=O)CSCC(F)(F)F FC(F)(F)[*:1] COc1ccccc1[C@H](C#N)NC(=O)CSC[*:1]
COc1ccccc1[C@H](C#N)NC(=O)CSCC(F)(F)F FC(F)(F)CSC[*:1] COc1ccccc1[C@H](C#N)NC(=O)[*:1]
CCNc1ncc(S(=O)(=O)N[C@H]2CCCC2(C)C)cn1 CCN[*:1] CC1(C)CCC[C@@H]1NS(=O)(=O)c1cnc(nc1)[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)O[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)O[C@H](C)[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)O[C@H](C)c1ccccn1 c1cc(co1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)O[C@H](C)c1ccccn1
Cc1cccc(OCCNC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 Cc1cccc(c1)OC[*:1] O=C(NC[*:1])Nc1cccc(c1)C(=O)N1CCCCC1
Cc1cccc(OCCNC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 Cc1cccc(c1)O[*:1] O=C(NCC[*:1])Nc1cccc(c1)C(=O)N1CCCCC1
Cc1cccc(OCCNC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 O=C(N1CCCCC1)[*:1] Cc1cccc(c1)OCCNC(=O)Nc1cccc(c1)[*:1]
Cc1cccc(OCCNC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 Cc1cccc(c1)[*:1] O=C(NCCO[*:1])Nc1cccc(c1)C(=O)N1CCCCC1
C[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1 Clc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(=O)CN(C[*:1])S(C)(=O)=O
CO[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)[*:1]
O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(N1CCC[C@H](C1)n1cc[nH+]c1)C1(CCOCC1)[*:1]
COc1ccc(Cl)c(NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1 c1ccc(cc1)[*:1] COc1ccc(Cl)c(c1)NC(=O)N(C[C@H]1CCCO1)C[*:1]
COc1ccc(Cl)c(NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1 c1ccc(cc1)C[*:1] COc1ccc(Cl)c(c1)NC(=O)N(C[C@H]1CCCO1)[*:1]
Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N[*:1]
Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)Nc1ccccc1)S(=O)(=O)[*:1]
Cc1c(NCc2ccnn2C)cc(C#N)cc1[N+](=O)[O-] Cn1nccc1[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])NC[*:1]
Cc1c(NCc2ccnn2C)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])NCc1ccnn1C
COc1cc(C)c(CN(C)CCc2nccs2)cc1OC c1csc(C[*:1])n1 COc1cc(C)c(cc1OC)CN(C)C[*:1]
COc1cc(C)c(CN(C)CCc2nccs2)cc1OC c1csc(n1)[*:1] COc1cc(C)c(cc1OC)CN(C)CC[*:1]
COc1cc(C)c(CN(C)CCc2nccs2)cc1OC c1csc(CC[*:1])n1 COc1cc(C)c(cc1OC)CN(C)[*:1]
Cc1noc(COc2ccc(Nc3cncc(C(N)=O)n3)cc2)n1 Cc1noc(C[*:1])n1 NC(=O)c1cncc(n1)Nc1ccc(cc1)O[*:1]
Cc1noc(COc2ccc(Nc3cncc(C(N)=O)n3)cc2)n1 Cc1noc(CO[*:1])n1 NC(=O)c1cncc(n1)Nc1ccc(cc1)[*:1]
Cc1noc(COc2ccc(Nc3cncc(C(N)=O)n3)cc2)n1 NC(=O)[*:1] Cc1noc(COc2ccc(cc2)Nc2cncc(n2)[*:1])n1
Cc1noc(COc2ccc(Nc3cncc(C(N)=O)n3)cc2)n1 Cc1noc(n1)[*:1] NC(=O)c1cncc(n1)Nc1ccc(cc1)OC[*:1]
C[NH2+]C[C@@H](Cc1cnn(C)c1)c1cccc(Br)c1 Cn1cc(cn1)[*:1] C[NH2+]C[C@@H](C[*:1])c1cccc(Br)c1
COc1cccc(C(=O)NC[C@@H](C)C[C@@H](C)O)n1 C[C@@H](O)C[*:1] COc1cccc(n1)C(=O)NC[C@@H](C)[*:1]
COc1cccc(C(=O)NC[C@@H](C)C[C@@H](C)O)n1 C[C@@H](O)[*:1] COc1cccc(n1)C(=O)NC[C@@H](C)C[*:1]
CC[C@@H](C)c1ccccc1NC(=O)c1cccc(Cl)c1 CC[C@@H](C)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(Cl)c1
CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@H](O)c3ccoc3)cc21 CC(C)[*:1] O=C(NC[C@H](O)c1ccoc1)C(=O)Nc1ccc2CCCN(C(=O)[*:1])c2c1
CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@H](O)c3ccoc3)cc21 c1cc(co1)[*:1] CC(C)C(=O)N1CCCc2ccc(cc21)NC(=O)C(=O)NC[C@H](O)[*:1]
Cc1nc(CC(=O)N(Cc2ccco2)Cc2cc3ccc(Cl)cc3nc2N2CCCC2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N(Cc1ccco1)Cc1cc2ccc(Cl)cc2nc1N1CCCC1
Cc1nc(CC(=O)N(Cc2ccco2)Cc2cc3ccc(Cl)cc3nc2N2CCCC2)cs1 c1coc(c1)[*:1] Cc1nc(cs1)CC(=O)N(Cc1cc2ccc(Cl)cc2nc1N1CCCC1)C[*:1]
Cc1nc(CC(=O)N(Cc2ccco2)Cc2cc3ccc(Cl)cc3nc2N2CCCC2)cs1 c1coc(c1)C[*:1] Cc1nc(cs1)CC(=O)N(Cc1cc2ccc(Cl)cc2nc1N1CCCC1)[*:1]
Cc1nc(CC(=O)N(Cc2ccco2)Cc2cc3ccc(Cl)cc3nc2N2CCCC2)cs1 C1CCN(C1)[*:1] Cc1nc(cs1)CC(=O)N(Cc1ccco1)Cc1cc2ccc(Cl)cc2nc1[*:1]
Cc1nc(CC(=O)N(Cc2ccco2)Cc2cc3ccc(Cl)cc3nc2N2CCCC2)cs1 Cc1nc(cs1)C[*:1] O=C(N(Cc1ccco1)Cc1cc2ccc(Cl)cc2nc1N1CCCC1)[*:1]
CN(Cc1ccccc1Br)C(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CN(Cc1ccccc1Br)C(=O)NC[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCC(C)C CC(C)C[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NCC[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCC(C)C CC(C)CCC[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCC(C)C CC(C)CC[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NC[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCC(C)C CC(C)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NCCC[*:1]
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1cc2c(s1)SCC2 O=C(NC1CCCC1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1cc2CCSc2s1
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1cc2c(s1)SCC2 C1CCC(C1)[*:1] O=C(N[C@@H](C(=O)N[*:1])c1ccccc1)c1cc2CCSc2s1
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1cc2c(s1)SCC2 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)NC1CCCC1)[*:1])c1cc2CCSc2s1
CCOc1ccc(C(=O)N(C)CC2=NC(=O)[C@@H]3SC=CC3=N2)cc1 CCO[*:1] CN(CC1=NC(=O)[C@@H]2SC=CC2=N1)C(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccsc2)s1 c1cc(cs1)[*:1] CC(C)(C)c1ncc(/C=C/C(=O)N[*:1])s1
CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccsc2)s1 CC(C)(C)[*:1] O=C(/C=C/c1cnc(s1)[*:1])Nc1ccsc1
COc1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)CNC(=O)Nc1c(C)ccc(c1C)[*:1]
C[C@@H](C(=O)NCc1ccccc1OC1CCC1)[NH+](C)C C1CC(C1)O[*:1] C[C@@H](C(=O)NCc1ccccc1[*:1])[NH+](C)C
C[C@@H](C(=O)NCc1ccccc1OC1CCC1)[NH+](C)C C1CC(C1)[*:1] C[C@@H](C(=O)NCc1ccccc1O[*:1])[NH+](C)C
CCN(C[C@@H]1CC=C(Cl)S1)C(=O)CSc1n[nH]c(N)n1 Nc1nc(n[nH]1)[*:1] CCN(C[C@@H]1CC=C(Cl)S1)C(=O)CS[*:1]
O=C(CCCSc1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 Fc1ccc(cc1)S[*:1] O=C(CCC[*:1])Nc1nnc(o1)-c1ccc2OCCOc2c1
O=C(CCCSc1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 Fc1ccc(cc1)SC[*:1] O=C(CC[*:1])Nc1nnc(o1)-c1ccc2OCCOc2c1
O=C(CCCSc1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 Fc1ccc(cc1)[*:1] O=C(CCCS[*:1])Nc1nnc(o1)-c1ccc2OCCOc2c1
Cc1cc(C)cc(Nc2nc(C)cc(C(=O)[O-])n2)c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)Nc1nc(C)cc(n1)[*:1]
COc1cccc2cc([C@H](C)NC(=O)N[C@@H](C)C3CC3)oc12 C[C@@H](C1CC1)[*:1] COc1cccc2cc(oc12)[C@H](C)NC(=O)N[*:1]
COc1cccc2cc([C@H](C)NC(=O)N[C@@H](C)C3CC3)oc12 C1CC1[*:1] COc1cccc2cc(oc12)[C@H](C)NC(=O)N[C@@H](C)[*:1]
CCOc1ccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 CCO[*:1] O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc(cc1)[*:1]
CC(C)[C@H](NCCc1cnn(C)c1)c1ccc(C(F)(F)F)cc1 Cn1cc(cn1)C[*:1] CC(C)[C@H](NC[*:1])c1ccc(cc1)C(F)(F)F
CC(C)[C@H](NCCc1cnn(C)c1)c1ccc(C(F)(F)F)cc1 Cn1cc(cn1)[*:1] CC(C)[C@H](NCC[*:1])c1ccc(cc1)C(F)(F)F
CC(C)[C@H](NCCc1cnn(C)c1)c1ccc(C(F)(F)F)cc1 CC(C)[*:1] Cn1cc(cn1)CCN[C@H](c1ccc(cc1)C(F)(F)F)[*:1]
CC(C)[C@H](NCCc1cnn(C)c1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)[C@H](NCCc1cnn(C)c1)c1ccc(cc1)[*:1]
COCCOC(=O)/C(C#N)=C\c1cc(F)ccc1F COC[*:1] N#C/C(=C/c1cc(F)ccc1F)C(=O)OC[*:1]
COCCOC(=O)/C(C#N)=C\c1cc(F)ccc1F COCC[*:1] N#C/C(=C/c1cc(F)ccc1F)C(=O)O[*:1]
COC(=O)[C@]1(C)CCN(C(=O)Nc2cnc(-c3ccccc3)s2)C1 COC(=O)[*:1] C[C@@]1(CCN(C1)C(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
COC(=O)[C@]1(C)CCN(C(=O)Nc2cnc(-c3ccccc3)s2)C1 c1ccc(cc1)[*:1] COC(=O)[C@]1(C)CCN(C1)C(=O)Nc1cnc(s1)[*:1]
COC(=O)[C@H]1CCN(C(=O)[C@@H](Oc2cccc(Cl)c2)C(C)C)C1 Clc1cccc(c1)[*:1] COC(=O)[C@H]1CCN(C1)C(=O)[C@@H](O[*:1])C(C)C
COC(=O)[C@H]1CCN(C(=O)[C@@H](Oc2cccc(Cl)c2)C(C)C)C1 COC(=O)[*:1] CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[C@@H](C1)[*:1]
COC(=O)[C@H]1CCN(C(=O)[C@@H](Oc2cccc(Cl)c2)C(C)C)C1 CC(C)[*:1] COC(=O)[C@H]1CCN(C1)C(=O)[C@@H](Oc1cccc(Cl)c1)[*:1]
CO/N=C(/C(=O)N[C@H]1CCC[C@H]1SC)c1ccco1 c1coc(c1)[*:1] CO/N=C(/C(=O)N[C@H]1CCC[C@H]1SC)[*:1]
CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccccc1C[NH+]1CCCCC1 C1CN(CCO1)[*:1] CN(Cc1ccccc1[*:1])C(=O)c1ccccc1C[NH+]1CCCCC1
COc1cc(/C=C/C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc(OC)c1 c1ccc(cc1)[*:1] COc1cc(/C=C/C(=O)N[C@H]2C[C@H]2[*:1])cc(c1)OC
C[C@@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)N1CCC(CC1)C(=O)N1CCCC1)[*:1]
C[C@@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccsc1 O=C(N1CCCC1)[*:1] C[C@@H](C(=O)N1CCC(CC1)[*:1])c1ccsc1
CCC[NH2+][C@@H]([C@@H]1CCCOC1)[C@H]1CCO[C@]2(CCOC2)C1 C1COC[C@@H](C1)[*:1] CCC[NH2+][C@@H]([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
CCC[NH2+][C@@H]([C@@H]1CCCOC1)[C@H]1CCO[C@]2(CCOC2)C1 CCC[*:1] C1COC[C@@H](C1)[C@H]([NH2+][*:1])[C@H]1CCO[C@]2(CCOC2)C1
Cc1ccc([C@@](C)(O)CNC(=O)c2ncccc2OC(C)C)o1 CC(C)O[*:1] Cc1ccc(o1)[C@@](C)(O)CNC(=O)c1ncccc1[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)c2ncccc2OC(C)C)o1 CC(C)[*:1] Cc1ccc(o1)[C@@](C)(O)CNC(=O)c1ncccc1O[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)c2ncccc2OC(C)C)o1 Cc1ccc(o1)[*:1] CC(C)Oc1cccnc1C(=O)NC[C@@](C)(O)[*:1]
O=C(NC[C@@H]1COCCO1)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 C1CO[C@@H](CO1)C[*:1] O=C(N[*:1])[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1
O=C(NC[C@@H]1COCCO1)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 C1CO[C@@H](CO1)[*:1] O=C(NC[*:1])[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1
O=C(NC[C@@H]1COCCO1)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NC[C@@H]1COCCO1)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)[*:1]
CC(C)[C@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccs1 CC(C)[C@H](c1cccs1)[*:1] O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N[*:1]
CC(C)[C@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccs1 CC(C)[*:1] O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N[C@H](c1cccs1)[*:1]
CC(C)[C@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccs1 c1ccc2c(c[nH]c2c1)[*:1] CC(C)[C@H](NC(=O)CN1C(=O)N[C@H](C[*:1])C1=O)c1cccs1
CC(C)[C@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccs1 c1csc(c1)[*:1] CC(C)[C@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)[*:1]
CC(C)[C@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccs1 c1ccc2c(c[nH]c2c1)C[*:1] CC(C)[C@H](NC(=O)CN1C(=O)N[C@H](C1=O)[*:1])c1cccs1
O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)N[C@H]1CCS(=O)(=O)C1 C1CCC(CC1)[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])N[C@H]1CCS(=O)(=O)C1
CCNC(=O)c1ccc(CNC(=O)c2cc(F)c(F)cc2Cl)cc1 CCNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc(F)c(F)cc1Cl
N#CCSc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl N#CCS[*:1] O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1[*:1]
N#CCSc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl N#CC[*:1] O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1S[*:1]
CCOC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 CCOC(=O)[*:1] Clc1ccc(nn1)N1CCC[C@H](C1)[*:1]
CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC(=O)N1CCC[C@@H]1C(=O)N1CCN(CC1)[*:1]
CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 CCO[*:1] O=C(Nc1cc(Cl)ccc1Cl)c1ccc(cc1)[*:1]
CCOCCCNc1ccc([N+](=O)[O-])cc1F CCO[*:1] O=[N+]([O-])c1ccc(NCCC[*:1])c(F)c1
CCOCCCNc1ccc([N+](=O)[O-])cc1F CCOCC[*:1] O=[N+]([O-])c1ccc(NC[*:1])c(F)c1
CCOCCCNc1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] CCOCCCNc1ccc(cc1F)[*:1]
CCOCCCNc1ccc([N+](=O)[O-])cc1F CCOC[*:1] O=[N+]([O-])c1ccc(NCC[*:1])c(F)c1
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2cccc(F)c2F)c1 Fc1cccc(c1F)[*:1] Cc1ccc(C)c(c1)OCC(=O)NNC(=O)C[*:1]
Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2cccc(F)c2F)c1 Cc1ccc(C)c(c1)[*:1] O=C(CO[*:1])NNC(=O)Cc1cccc(F)c1F
CN(C[C@@H]1CCCO1)C(=O)c1ccn(-c2cccc(Cl)c2)n1 C1CO[C@@H](C1)C[*:1] CN(C(=O)c1ccn(n1)-c1cccc(Cl)c1)[*:1]
CN(C[C@@H]1CCCO1)C(=O)c1ccn(-c2cccc(Cl)c2)n1 C1CO[C@@H](C1)[*:1] CN(C[*:1])C(=O)c1ccn(n1)-c1cccc(Cl)c1
CN(C[C@@H]1CCCO1)C(=O)c1ccn(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CN(C[C@@H]1CCCO1)C(=O)c1ccn(n1)[*:1]
O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1scnc1C1CC1 c1nc(c(s1)[*:1])C1CC1 O=C1[C@H](CCN1c1c(F)cccc1F)NC(=O)[*:1]
O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1scnc1C1CC1 Fc1cccc(F)c1[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])c1scnc1C1CC1
O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1scnc1C1CC1 C1CC1[*:1] O=C(N[C@H]1CCN(C1=O)c1c(F)cccc1F)c1scnc1[*:1]
COC(=O)c1ccc(CNC(=O)c2cn(C[C@@H]3CCCO3)nn2)cc1 COC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cn(C[C@@H]2CCCO2)nn1
Cn1c(CC(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)nc2ccccc21 FC(F)(F)[*:1] Cn1c(CC(=O)NNC(=O)Cn2ccc(n2)[*:1])nc2ccccc21
Cn1c(CC(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)nc2ccccc21 FC(F)(F)c1ccn(n1)[*:1] Cn1c(CC(=O)NNC(=O)C[*:1])nc2ccccc21
[NH3+][C@@H](CCN1CCOCC1)c1cccs1 c1csc(c1)[*:1] [NH3+][C@@H](CCN1CCOCC1)[*:1]
CCn1cc[nH+]c1CC(=O)CCCCl ClCCC[*:1] CCn1cc[nH+]c1CC(=O)[*:1]
CCn1cc[nH+]c1CC(=O)CCCCl ClCC[*:1] CCn1cc[nH+]c1CC(=O)C[*:1]
CC[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCOC)C1 COC[*:1] CC[C@H]1CCN(C1)S(=O)(=O)c1cc(Cl)ccc1OC[*:1]
CC[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCOC)C1 COCCO[*:1] CC[C@H]1CCN(C1)S(=O)(=O)c1cc(Cl)ccc1[*:1]
CC[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCOC)C1 COCC[*:1] CC[C@H]1CCN(C1)S(=O)(=O)c1cc(Cl)ccc1O[*:1]
CC1=NN(c2ccc(NC[C@@]3(c4ccc(F)cc4)CCOC3)cc2)C(=O)C1 Fc1ccc(cc1)[*:1] CC1CC(=O)N(N=1)c1ccc(cc1)NC[C@]1(CCOC1)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 c1cc(cs1)[*:1] C[C@H](C[*:1])N(C)C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
C[C@H](Cc1ccsc1)N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)/C=C/c1ccc(cc1)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 c1cc(cs1)C[*:1] C[C@H](N(C)C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)cc1 CC(C)O[*:1] O=C(Nc1sc2CCCCc2c1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)cc1 CC(C)Oc1ccc(cc1)[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)c1c(NC(=O)[*:1])sc2CCCCc21
CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)cc1 CC(C)[*:1] O=C(Nc1sc2CCCCc2c1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(cc1)O[*:1]
COC(=O)Cc1ccc(OCC#CCl)cc1 ClC#CCO[*:1] COC(=O)Cc1ccc(cc1)[*:1]
COC(=O)Cc1ccc(OCC#CCl)cc1 COC(=O)C[*:1] ClC#CCOc1ccc(cc1)[*:1]
COC(=O)Cc1ccc(OCC#CCl)cc1 COC(=O)[*:1] ClC#CCOc1ccc(cc1)C[*:1]
COC(=O)Cc1ccc(OCC#CCl)cc1 ClC#CC[*:1] COC(=O)Cc1ccc(cc1)O[*:1]
COC(=O)Cc1ccc(OCC#CCl)cc1 ClC#C[*:1] COC(=O)Cc1ccc(cc1)OC[*:1]
CC(C)(C)SCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@@H]1C[C@H]1C(=O)NCCS[*:1]
CC(C)(C)SCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)SCCNC(=O)[C@@H]1C[C@@H]1[*:1]
CC(C)(C)SCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] CC(C)(C)S[*:1] O=C([O-])[C@@H]1C[C@H]1C(=O)NCC[*:1]
CC[C@H](C)NC(=O)Nc1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] CC[C@H](C)NC(=O)Nc1ccc(cc1)C[*:1]
CC[C@H](C)NC(=O)Nc1ccc(Cn2cccn2)cc1 CC[C@H](C)[*:1] O=C(Nc1ccc(cc1)Cn1cccn1)N[*:1]
CC[C@H](C)NC(=O)Nc1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] CC[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1nn(C[C@H](C)c2nc3c4c(C)c(C)sc4ncn3n2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C[C@H](C)c2nc3c4c(C)c(C)sc4ncn3n2)c(C)c1[*:1]
C[C@@H]1Oc2ccccc2N([C@H](C)C(=O)Nc2ccccc2OCCn2cccn2)C1=O c1cnn(c1)CCO[*:1] C[C@@H]1Oc2ccccc2N(C1=O)[C@H](C)C(=O)Nc1ccccc1[*:1]
C[C@@H]1Oc2ccccc2N([C@H](C)C(=O)Nc2ccccc2OCCn2cccn2)C1=O c1cnn(c1)[*:1] C[C@@H]1Oc2ccccc2N(C1=O)[C@H](C)C(=O)Nc1ccccc1OCC[*:1]
C[C@@H]1Oc2ccccc2N([C@H](C)C(=O)Nc2ccccc2OCCn2cccn2)C1=O c1cnn(c1)C[*:1] C[C@@H]1Oc2ccccc2N(C1=O)[C@H](C)C(=O)Nc1ccccc1OC[*:1]
C[C@@H]1Oc2ccccc2N([C@H](C)C(=O)Nc2ccccc2OCCn2cccn2)C1=O c1cnn(c1)CC[*:1] C[C@@H]1Oc2ccccc2N(C1=O)[C@H](C)C(=O)Nc1ccccc1O[*:1]
COCCCO[C@@H]1CC[C@@]([NH3+])(C(N)=O)C1 COCC[*:1] NC(=O)[C@]1([NH3+])CC[C@H](C1)OC[*:1]
COCCCO[C@@H]1CC[C@@]([NH3+])(C(N)=O)C1 COC[*:1] NC(=O)[C@]1([NH3+])CC[C@H](C1)OCC[*:1]
COCCCO[C@@H]1CC[C@@]([NH3+])(C(N)=O)C1 NC(=O)[*:1] COCCCO[C@@H]1CC[C@@]([NH3+])(C1)[*:1]
COCCCO[C@@H]1CC[C@@]([NH3+])(C(N)=O)C1 COCCC[*:1] NC(=O)[C@]1([NH3+])CC[C@H](C1)O[*:1]
O=C(Cn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1CCn1cccn1 C1CN(CCO1)C[*:1] O=C(Cn1nnnc1[*:1])N1CCCC[C@@H]1CCn1cccn1
O=C(Cn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1CCn1cccn1 c1cnn(c1)CC[*:1] O=C(Cn1nnnc1CN1CCOCC1)N1CCCC[C@H]1[*:1]
O=C(Cn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1CCn1cccn1 C1CN(CCO1)[*:1] O=C(Cn1nnnc1C[*:1])N1CCCC[C@@H]1CCn1cccn1
O=C(Cn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1CCn1cccn1 c1cnn(c1)[*:1] O=C(Cn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1CC[*:1]
O=C(Cn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1CCn1cccn1 c1cnn(c1)C[*:1] O=C(Cn1nnnc1CN1CCOCC1)N1CCCC[C@@H]1C[*:1]
C/[NH+]=C(/NCCC(=O)N(C)C)N(C)Cc1ccc(Cl)cc1 CN(C)C(=O)[*:1] C/[NH+]=C(/NCC[*:1])N(C)Cc1ccc(Cl)cc1
C/[NH+]=C(/NCCC(=O)N(C)C)N(C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C/[NH+]=C(/NCCC(=O)N(C)C)N(C)C[*:1]
C/[NH+]=C(/NCCC(=O)N(C)C)N(C)Cc1ccc(Cl)cc1 CN(C)C(=O)C[*:1] C/[NH+]=C(/NC[*:1])N(C)Cc1ccc(Cl)cc1
C/[NH+]=C(/NCCC(=O)N(C)C)N(C)Cc1ccc(Cl)cc1 CN(C)C(=O)CC[*:1] C/[NH+]=C(/N[*:1])N(C)Cc1ccc(Cl)cc1
CC(C)n1ncc2c(C(=O)Oc3cccnc3Br)cc(C3CC3)nc21 CC(C)[*:1] O=C(Oc1cccnc1Br)c1cc(nc2c1cnn2[*:1])C1CC1
CC(C)n1ncc2c(C(=O)Oc3cccnc3Br)cc(C3CC3)nc21 C1CC1[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)Oc1cccnc1Br
CC(C)n1ncc2c(C(=O)Oc3cccnc3Br)cc(C3CC3)nc21 Brc1ncccc1[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)O[*:1]
Cc1nnc(-c2ccc(C(=O)N3CC[C@H](C)[C@@H](O)C3)cc2)o1 Cc1nnc(o1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1ccc(cc1)[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1cnccn1 O=C(N[*:1])c1cnccn1 O=S(=O)(c1cc(F)cc(F)c1)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1cnccn1 Fc1cc(F)cc(c1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1])c1cnccn1
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)c1cc(F)cc(F)c1)[*:1]
Cc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2C)cc(C(=O)[O-])c1 Cc1ccccc1[*:1] Cc1ccccc1C(=O)Nc1cc(cc(c1)C(=O)[O-])NC(=O)[*:1]
Cc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2C)cc(C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccccc1C(=O)Nc1cc(cc(c1)[*:1])NC(=O)c1ccccc1C
CC1=C(C#N)[C@@](Nc2cc(C)ccn2)(C(F)(F)F)C([O-])=N1 Cc1ccnc(c1)[*:1] CC1N=C([O-])[C@@](N[*:1])(C=1C#N)C(F)(F)F
CC1=C(C#N)[C@@](Nc2cc(C)ccn2)(C(F)(F)F)C([O-])=N1 FC(F)(F)[*:1] CC1N=C([O-])[C@](Nc2cc(C)ccn2)(C=1C#N)[*:1]
C=CCN1CC(=O)Nc2cc(I)ccc21 C=CC[*:1] O=C1CN(c2ccc(I)cc2N1)[*:1]
C[C@H]1CCN(C(=O)NCCCN2CCCC2=O)C[C@H]1O O=C1CCCN1[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCCC[*:1]
COC(=O)[C@H]1SC2=NC(/C(Cl)=C/c3ccsc3)=NC(=O)C2=C1C COC(=O)[*:1] CC1=C2C(=O)N=C(N=C2S[C@@H]1[*:1])/C(Cl)=C/c1ccsc1
COC(=O)[C@H]1SC2=NC(/C(Cl)=C/c3ccsc3)=NC(=O)C2=C1C c1cc(cs1)[*:1] COC(=O)[C@H]1SC2=NC(=NC(=O)C2=C1C)C(Cl)=C[*:1]
CCOC(=O)c1c(C)nn2c([O-])cc(CSc3nccn3C)nc12 Cn1ccnc1[*:1] CCOC(=O)c1c(C)nn2c([O-])cc(CS[*:1])nc12
CCOC(=O)c1c(C)nn2c([O-])cc(CSc3nccn3C)nc12 Cn1ccnc1S[*:1] CCOC(=O)c1c(C)nn2c([O-])cc(C[*:1])nc12
CCOC(=O)c1c(C)nn2c([O-])cc(CSc3nccn3C)nc12 CCOC(=O)[*:1] Cc1nn2c([O-])cc(CSc3nccn3C)nc2c1[*:1]
CCOC(=O)c1c(C)nn2c([O-])cc(CSc3nccn3C)nc12 Cn1ccnc1SC[*:1] CCOC(=O)c1c(C)nn2c([O-])cc(nc12)[*:1]
O=C1C[C@@](CC(=O)N2CCCC[C@@H]2c2cccnc2)(c2ccccc2Cl)C(=O)N1C1CCCC1 C1CCC(C1)[*:1] O=C(C[C@]1(CC(=O)N(C1=O)[*:1])c1ccccc1Cl)N1CCCC[C@@H]1c1cccnc1
O=C1C[C@@](CC(=O)N2CCCC[C@@H]2c2cccnc2)(c2ccccc2Cl)C(=O)N1C1CCCC1 Clc1ccccc1[*:1] O=C1C[C@@](CC(=O)N2CCCC[C@@H]2c2cccnc2)(C(=O)N1C1CCCC1)[*:1]
O=C1C[C@@](CC(=O)N2CCCC[C@@H]2c2cccnc2)(c2ccccc2Cl)C(=O)N1C1CCCC1 c1cncc(c1)[*:1] O=C1C[C@](CC(=O)N2CCCC[C@H]2[*:1])(C(=O)N1C1CCCC1)c1ccccc1Cl
CC(=O)c1ccc(OC(=O)c2cncc(Br)c2)cc1 CC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1cncc(Br)c1
Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)nn2)c1 Cc1ccnc(c1)[*:1] O=C(c1ccco1)N1CCN(CC1)c1ccc(nn1)N[*:1]
Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)nn2)c1 Cc1ccnc(c1)N[*:1] O=C(c1ccco1)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)nn2)c1 c1coc(c1)[*:1] Cc1ccnc(c1)Nc1ccc(nn1)N1CCN(CC1)C(=O)[*:1]
CCN(CC(C)C)c1cc(C)c(F)cc1[C@H](C)[NH2+]C CC(C)C[*:1] CCN(c1cc(C)c(F)cc1[C@H](C)[NH2+]C)[*:1]
CCN(CC(C)C)c1cc(C)c(F)cc1[C@H](C)[NH2+]C CC(C)[*:1] CCN(C[*:1])c1cc(C)c(F)cc1[C@H](C)[NH2+]C
O=C(Nc1ccc([C@H]2C=c3cc(Cl)ccc3=[NH+]2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)[C@H]1C=c2cc(Cl)ccc2=[NH+]1)[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCOC(C)(C)C1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)N1CCOC(C)(C)C1
CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCOC(C)(C)C1 CCS(=O)(=O)C[*:1] C[C@@H](NC(=O)N1CCOC(C)(C)C1)[*:1]
C[C@@H]1S[C@H](c2ccc(Br)cc2)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H]1S[C@H](c2ccc(Br)cc2)N(C1=O)[*:1]
CCOc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)N[C@@H]1CCCc2ccccc21 c1ccc2c(c1)CCC[C@H]2[*:1] CCOc1ccc(cc1S(=O)(=O)N[*:1])N1C(=O)[C@@H](C)CS1(=O)=O
CCOc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)N[C@@H]1CCCc2ccccc21 CCO[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1ccc(c(c1)S(=O)(=O)N[C@@H]1CCCc2ccccc21)[*:1]
CC(C)c1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)[nH]n1 CC(C)(C)[*:1] CC(C)c1cc([nH]n1)C(=O)N[C@@H]1CC(C)(C)Cc2nc(ncc21)[*:1]
CC(C)c1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)[nH]n1 CC(C)[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)NC(=O)c1cc(n[nH]1)[*:1])C(C)(C)C
CC(C)c1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)[nH]n1 CC(C)c1cc([nH]n1)[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)NC(=O)[*:1])C(C)(C)C
O=C(CC1CCN(C(=O)[C@@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CC1CCN(CC1)C(=O)[C@@H]1C=c2cc(Cl)ccc2=[NH+]1)N[*:1]
O=C1CN(Cc2cc(C[NH+]3CCCCC3)cs2)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1CN(CCN1[*:1])Cc1cc(cs1)C[NH+]1CCCCC1
CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 OCC[*:1] CC[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)[*:1]
CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 CC[C@@H](CCO)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(Cl)c(Cl)c1
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Cl)cc(c1[O-])[*:1]
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] c1ccc(cc1)[*:1] O=C1NC[C@@H]([C@@H]1C(=O)N/N=C\c1cc(Cl)cc(c1[O-])[N+](=O)[O-])[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 CC[C@H](C)NC(=O)C[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(CC1)[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 CC[C@H](C)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(CC1)CC(=O)N[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 CC[C@H](C)NC(=O)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(CC1)C[*:1]
Cc1ccccc1NC(=O)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccccc1NC(=O)C(=O)N(C)Cc1cccc(c1)[*:1]
Cc1ccccc1NC(=O)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 Cc1ccccc1[*:1] CN(Cc1cccc(c1)C(F)(F)F)C(=O)C(=O)N[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 Cc1nn(C)c(C)c1[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)C(=O)[*:1]
CCN1CCC(=NNC(=O)c2cc(-c3ccccc3O)nc3ccccc23)CC1 Oc1ccccc1[*:1] CCN1CCC(CC1)=NNC(=O)c1cc(nc2ccccc12)[*:1]
C[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(F)cc1Cl CC(C)(C)[*:1] C[C@H](NCCS(=O)(=O)[*:1])c1ccc(F)cc1Cl
NC(=O)[C@@H]1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 NC(=O)[*:1] O=C(CCS(=O)(=O)C1CCCC1)N1CCC[C@H](C1)[*:1]
NC(=O)[C@@H]1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 C1CCC(C1)[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)CCS(=O)(=O)[*:1]
O=C1Nc2cc(S(=O)(=O)NC3CC3)ccc2S[C@@H]1C(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=C1Nc2cc(ccc2S[C@H]1[*:1])S(=O)(=O)NC1CC1
O=C1Nc2cc(S(=O)(=O)NC3CC3)ccc2S[C@@H]1C(=O)N1CCCCCC1 O=S(=O)(NC1CC1)[*:1] O=C1Nc2cc(ccc2S[C@@H]1C(=O)N1CCCCCC1)[*:1]
O=C1Nc2cc(S(=O)(=O)NC3CC3)ccc2S[C@@H]1C(=O)N1CCCCCC1 C1CC1[*:1] O=C1Nc2cc(ccc2S[C@@H]1C(=O)N1CCCCCC1)S(=O)(=O)N[*:1]
COc1cccc(/C=C/C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1 NC(=O)[*:1] COc1cccc(/C=C/C(=O)N2CC[C@@H](c3ccccc32)[*:1])c1
COc1cccc(/C=C/C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1 COc1cccc(c1)[*:1] NC(=O)[C@@H]1CCN(C(=O)C=C[*:1])c2ccccc21
CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C1)O[*:1]
O=C1/C(=C\C=C\c2ccccc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 C(=C[*:1])c1ccccc1 O=C1C(=C[*:1])Oc2c1ccc1OCN(Cc3cccnc3)Cc12
O=C1/C(=C\C=C\c2ccccc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 c1ccc(cc1)[*:1] O=C1/C(=C\C=C[*:1])Oc2c1ccc1OCN(Cc3cccnc3)Cc12
O=C1/C(=C\C=C\c2ccccc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 c1cncc(c1)C[*:1] O=C1/C(=C\C=C\c2ccccc2)Oc2c1ccc1OCN(Cc12)[*:1]
O=C1/C(=C\C=C\c2ccccc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 c1cncc(c1)[*:1] O=C1/C(=C\C=C\c2ccccc2)Oc2c1ccc1OCN(Cc12)C[*:1]
CC(C)CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 CC(C)C[*:1] O=C([C@H]1CN(CCO1)Cc1ccccc1)N(Cc1ccc2OCCOc2c1)[*:1]
CC(C)CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] CC(C)CN(Cc1ccc2OCCOc2c1)C(=O)[C@H]1CN(CCO1)[*:1]
CC(C)CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 c1cc2OCCOc2cc1[*:1] CC(C)CN(C[*:1])C(=O)[C@H]1CN(CCO1)Cc1ccccc1
CC(C)CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] CC(C)CN(Cc1ccc2OCCOc2c1)C(=O)[C@H]1CN(CCO1)C[*:1]
CC(C)CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 CC(C)[*:1] O=C([C@H]1CN(CCO1)Cc1ccccc1)N(Cc1ccc2OCCOc2c1)C[*:1]
O=C(NCCNC(=O)c1cnc2ccoc2c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCCNC(=O)[*:1])c1cnc2ccoc2c1
CCC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC(=O)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCC(=O)N(CCc1ccc(cc1)S(N)(=O)=O)[C@H]1CC(=O)N(C1=O)[*:1]
CCC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC(=O)N(c2ccccc2)C1=O NS(=O)(=O)[*:1] CCC(=O)N(CCc1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1=O)c1ccccc1
CCC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC(=O)N(c2ccccc2)C1=O NS(=O)(=O)c1ccc(cc1)[*:1] CCC(=O)N(CC[*:1])[C@H]1CC(=O)N(C1=O)c1ccccc1
Cc1ccc(C(=O)N(CC2CC2)C(C)C)c(NN)c1 CC(C)[*:1] Cc1ccc(C(=O)N(CC2CC2)[*:1])c(c1)NN
Cc1ccc(C(=O)N(CC2CC2)C(C)C)c(NN)c1 C1CC1C[*:1] Cc1ccc(C(=O)N(C(C)C)[*:1])c(c1)NN
Cc1ccc(C(=O)N(CC2CC2)C(C)C)c(NN)c1 C1CC1[*:1] Cc1ccc(C(=O)N(C[*:1])C(C)C)c(c1)NN
CC(C)N(Cc1ccc(OS(=O)(=O)C(C)C)cc1)C(=O)NC(C)(C)C CC(C)(C)[*:1] CC(C)N(Cc1ccc(cc1)OS(=O)(=O)C(C)C)C(=O)N[*:1]
CC(C)N(Cc1ccc(OS(=O)(=O)C(C)C)cc1)C(=O)NC(C)(C)C CC(C)[*:1] CC(C)N(Cc1ccc(cc1)OS(=O)(=O)[*:1])C(=O)NC(C)(C)C
CC(C)N(Cc1ccc(OS(=O)(=O)C(C)C)cc1)C(=O)NC(C)(C)C CC(C)[*:1] CC(C)S(=O)(=O)Oc1ccc(cc1)CN(C(=O)NC(C)(C)C)[*:1]
CC(C)N(Cc1ccc(OS(=O)(=O)C(C)C)cc1)C(=O)NC(C)(C)C CC(C)S(=O)(=O)O[*:1] CC(C)N(Cc1ccc(cc1)[*:1])C(=O)NC(C)(C)C
CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(c2)OCCO3)C1 CC(C)(C)[*:1] O=C(NC[C@H]1CCN(C1)C(=O)c1ccc2OCCOc2c1)O[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ccc3c(c2)OCCO3)C1 CC(C)(C)OC(=O)N[*:1] O=C(c1ccc2OCCOc2c1)N1CC[C@@H](C1)C[*:1]
Cn1nc(C(F)(F)F)c(Cl)c1-c1nn2c(C3CC3)nnc2s1 C1CC1[*:1] Cn1nc(c(Cl)c1-c1nn2c(nnc2s1)[*:1])C(F)(F)F
Cn1nc(C(F)(F)F)c(Cl)c1-c1nn2c(C3CC3)nnc2s1 FC(F)(F)[*:1] Cn1nc(c(Cl)c1-c1nn2c(nnc2s1)C1CC1)[*:1]
CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(C)=O)cc1 CCCC[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(C)=O)cc1 CC(=O)[*:1] CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(C)=O)cc1 CCC[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)C[*:1]
COc1ccc(C)cc1Nc1nc(OCC(=O)[O-])cc(C(C)(C)C)n1 CC(C)(C)[*:1] COc1ccc(C)cc1Nc1nc(cc(n1)[*:1])OCC(=O)[O-]
COc1ccc(C)cc1Nc1nc(OCC(=O)[O-])cc(C(C)(C)C)n1 O=C([O-])CO[*:1] COc1ccc(C)cc1Nc1nc(cc(n1)[*:1])C(C)(C)C
COc1ccc(C)cc1Nc1nc(OCC(=O)[O-])cc(C(C)(C)C)n1 O=C([O-])C[*:1] COc1ccc(C)cc1Nc1nc(cc(n1)C(C)(C)C)O[*:1]
COc1ccc(C)cc1Nc1nc(OCC(=O)[O-])cc(C(C)(C)C)n1 O=C([O-])[*:1] COc1ccc(C)cc1Nc1nc(cc(n1)C(C)(C)C)OC[*:1]
O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1cccnc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1cccnc1[*:1]
COc1ccc([C@@H](CNC(=O)CC2CCCC2)N2CCOCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)C[*:1])N1CCOCC1
COc1ccc([C@@H](CNC(=O)CC2CCCC2)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(CC1CCCC1)NC[C@@H](N1CCOCC1)[*:1]
COc1ccc([C@@H](CNC(=O)CC2CCCC2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)CC1CCCC1)[*:1]
COc1ccc([C@@H](CNC(=O)CC2CCCC2)N2CCOCC2)cc1 C1CCC(C1)C[*:1] COc1ccc(cc1)[C@@H](CNC(=O)[*:1])N1CCOCC1
CN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1ccc2c(c1)OCCO2 Fc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)Cc1ccc2OCCOc2c1
Clc1ccc(OCc2nnc3sc(-c4ccccc4)nn23)cc1 Clc1ccc(cc1)[*:1] c1ccc(cc1)-c1nn2c(CO[*:1])nnc2s1
Clc1ccc(OCc2nnc3sc(-c4ccccc4)nn23)cc1 c1ccc(cc1)[*:1] Clc1ccc(cc1)OCc1nnc2sc(nn12)[*:1]
COc1ccc([C@@H]2C(C#N)=C(SCC(C)C)NC3=C2C(=O)CC(C)(C)C3)cc1OC COc1ccc(cc1OC)[*:1] CC(C)CSC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C#N)[*:1]
COc1ccc([C@@H]2C(C#N)=C(SCC(C)C)NC3=C2C(=O)CC(C)(C)C3)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)[C@@H]1C(C#N)=C(NC2CC(C)(C)CC(=O)C=21)S[*:1]
COc1ccc([C@@H]2C(C#N)=C(SCC(C)C)NC3=C2C(=O)CC(C)(C)C3)cc1OC CC(C)CS[*:1] COc1ccc(cc1OC)[C@@H]1C(C#N)=C(NC2CC(C)(C)CC(=O)C=21)[*:1]
COc1ccc([C@@H]2C(C#N)=C(SCC(C)C)NC3=C2C(=O)CC(C)(C)C3)cc1OC CC(C)[*:1] COc1ccc(cc1OC)[C@@H]1C(C#N)=C(NC2CC(C)(C)CC(=O)C=21)SC[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cnc4cc(C)ccn4c3=O)CC2)cc1 CCO[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3cnc4cc(C)ccn4c3=O)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)N1CC=C(CC1)[*:1]
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 O=C1CN(CCN1)[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(nc1)[*:1]
CCNC(=O)c1cccc(/N=C/c2cc(OC)ccc2O)c1 CCNC(=O)[*:1] COc1ccc(O)c(/C=N/c2cccc(c2)[*:1])c1
CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 CCOC(=O)[*:1] N#CC(=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1)[*:1]
CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 Fc1ccc(cc1)C[*:1] CCOC(=O)/C(C#N)=C1/S[C@@H](C(=O)N1c1ccccc1)[*:1]
CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 Fc1ccc(cc1)[*:1] CCOC(=O)/C(C#N)=C1/S[C@@H](C[*:1])C(=O)N1c1ccccc1
CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1[*:1]
CC(C)(C)OC(=O)c1cccc(C(=O)N[C@H](C#N)c2ccccc2F)c1 CC(C)(C)[*:1] N#C[C@@H](NC(=O)c1cccc(c1)C(=O)O[*:1])c1ccccc1F
CC(C)(C)OC(=O)c1cccc(C(=O)N[C@H](C#N)c2ccccc2F)c1 CC(C)(C)OC(=O)[*:1] N#C[C@@H](NC(=O)c1cccc(c1)[*:1])c1ccccc1F
CC(C)(C)OC(=O)c1cccc(C(=O)N[C@H](C#N)c2ccccc2F)c1 Fc1ccccc1[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)N[C@H](C#N)[*:1]
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[C@H](C)[C@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1ccccc1CN(C[*:1])C(=O)N[C@H](C)[C@H]1CCCO1
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[C@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[C@H](C)[*:1]
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[C@H](C)[C@H]1CCCO1 COc1ccccc1[*:1] C[C@@H](NC(=O)N(C[C@@H]1CCCO1)C[*:1])[C@H]1CCCO1
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[C@H](C)[C@H]1CCCO1 C1CO[C@@H](C1)C[*:1] COc1ccccc1CN(C(=O)N[C@H](C)[C@H]1CCCO1)[*:1]
CC(C)n1cc(C#N)c(NC(=O)c2cnc([C@H]3CCCO3)s2)n1 C1CO[C@H](C1)[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)c1cnc(s1)[*:1]
CC(C)n1cc(C#N)c(NC(=O)c2cnc([C@H]3CCCO3)s2)n1 CC(C)[*:1] N#Cc1cn(nc1NC(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
CCC(CC)NC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C Cc1nnnn1[*:1] CCC(CC)NC(=O)C(=Cc1ccc(F)cc1)[*:1]
CCC(CC)NC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C Fc1ccc(cc1)[*:1] CCC(CC)NC(=O)C(=C[*:1])n1nnnc1C
CCC(CC)NC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C CCC(CC)[*:1] Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[*:1]
CC(C)(C)C(=O)N[C@@H]([NH2+]Cc1ccccc1)C(Cl)(Cl)Cl c1ccc(cc1)[*:1] CC(C)(C)C(=O)N[C@@H]([NH2+]C[*:1])C(Cl)(Cl)Cl
CC(C)(C)C(=O)N[C@@H]([NH2+]Cc1ccccc1)C(Cl)(Cl)Cl CC(C)(C)[*:1] O=C(N[C@@H]([NH2+]Cc1ccccc1)C(Cl)(Cl)Cl)[*:1]
CC(C)(C)C(=O)N[C@@H]([NH2+]Cc1ccccc1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CC(C)(C)C(=O)N[C@@H]([NH2+]Cc1ccccc1)[*:1]
COc1ccc(NC(=O)CSCC(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)CSCC(=O)N[*:1]
Cc1ncccc1O[C@@H](C)[C@@H](C)O C[C@@H](O)[*:1] Cc1ncccc1O[C@@H](C)[*:1]
CC(C)CCn1c(C[NH+]2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C CC(C)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCN(CC1)Cc1ccccc1)n2C[*:1]
CC(C)CCn1c(C[NH+]2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C CC(C)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCN(CC1)Cc1ccccc1)n2CC[*:1]
CC(C)CCn1c(C[NH+]2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C c1ccc(cc1)C[*:1] CC(C)CCn1c(C[NH+]2CCN(CC2)[*:1])nc2c1c(=O)[nH]c(=O)n2C
CC(C)CCn1c(C[NH+]2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C CC(C)CC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCN(CC1)Cc1ccccc1)n2[*:1]
CC(C)CCn1c(C[NH+]2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C c1ccc(cc1)[*:1] CC(C)CCn1c(C[NH+]2CCN(CC2)C[*:1])nc2c1c(=O)[nH]c(=O)n2C
CCOc1cc(NC(=O)c2ccc(F)c(COC)c2)ccc1OC COC[*:1] CCOc1cc(ccc1OC)NC(=O)c1ccc(F)c(c1)[*:1]
CCOc1cc(NC(=O)c2ccc(F)c(COC)c2)ccc1OC CCO[*:1] COCc1cc(ccc1F)C(=O)Nc1ccc(OC)c(c1)[*:1]
Cc1cc2n(CC(=O)Nc3cccc(Cl)c3C)c(=O)c3ccccc3n2n1 Cc1c(Cl)cccc1[*:1] Cc1cc2n(CC(=O)N[*:1])c(=O)c3ccccc3n2n1
Cc1cc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc2n1 FC(F)O[*:1] Cc1cc(C(=O)OCC(=O)Nc2ccc(cc2)[*:1])c2ccccc2n1
Cc1cc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc2n1 FC(F)[*:1] Cc1cc(C(=O)OCC(=O)Nc2ccc(cc2)O[*:1])c2ccccc2n1
CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 CC(C)(C)CC(=O)N[*:1] O=S(=O)(Nc1ncccn1)c1ccc(cc1)[*:1]
CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 CC(C)(C)C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)[*:1]
CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 CC(C)(C)[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 c1cnc(nc1)[*:1] CC(C)(C)CC(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NC2(c3nccs3)CCCC2)C1 CS(=O)(=O)[*:1] O=C(N[C@@H]1CCC[C@@H](C1)[*:1])NC1(CCCC1)c1nccs1
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NC2(c3nccs3)CCCC2)C1 c1csc(n1)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)NC1(CCCC1)[*:1]
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N1CCCCCC1 O=C([O-])[*:1] C[C@@H]1[C@H](CCN1S(=O)(=O)N1CCCCCC1)[*:1]
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=N/NC(N)=S NC(=S)NN=C[*:1] Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1[*:1]
CCOC(=O)CNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 CCOC(=O)[*:1] O=C(Cn1nnc(n1)-c1ccc(Cl)cc1)NC[*:1]
CCOC(=O)CNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 CCOC(=O)C[*:1] O=C(Cn1nnc(n1)-c1ccc(Cl)cc1)N[*:1]
CCOC(=O)CNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCOC(=O)CNC(=O)Cn1nnc(n1)[*:1]
COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2c[nH]c(C)cc2=O)c1 Cc1cc(=O)c(c[nH]1)[*:1] COc1cccc(c1)CN(C[C@H]1CCCO1)C(=O)[*:1]
COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2c[nH]c(C)cc2=O)c1 COc1cccc(c1)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)N(C[C@H]1CCCO1)C[*:1]
COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2c[nH]c(C)cc2=O)c1 C1CO[C@H](C1)C[*:1] COc1cccc(c1)CN(C(=O)c1c[nH]c(C)cc1=O)[*:1]
Cn1cc(C(=O)N2CCC(c3csc(N)n3)CC2)cn1 Cn1cc(cn1)[*:1] Nc1nc(cs1)C1CCN(CC1)C(=O)[*:1]
Cn1cc(C(=O)N2CCC(c3csc(N)n3)CC2)cn1 Nc1nc(cs1)[*:1] Cn1cc(cn1)C(=O)N1CCC(CC1)[*:1]
COC(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1 COC(=O)[*:1] CC(C)c1ccccc1NC(=O)c1cccc(c1)[*:1]
COC(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1 CC(C)[*:1] COC(=O)c1cccc(c1)C(=O)Nc1ccccc1[*:1]
O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 c1ccc(cc1)C[*:1] O=C(c1nn(c(=O)c2ccccc12)[*:1])N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 c1ccc(cc1)[*:1] O=C(c1nn(C[*:1])c(=O)c2ccccc12)N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
C[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1)C(N)=O C[C@@H](C(N)=O)[*:1] CN(C)c1cc(cc(n1)-c1ccc(cc1)O[*:1])C(F)(F)F
C[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1)C(N)=O NC(=O)[*:1] C[C@@H](Oc1ccc(cc1)-c1cc(cc(n1)N(C)C)C(F)(F)F)[*:1]
C[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1)C(N)=O FC(F)(F)[*:1] C[C@@H](Oc1ccc(cc1)-c1cc(cc(n1)N(C)C)[*:1])C(N)=O
C[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1)C(N)=O C[C@@H](O[*:1])C(N)=O CN(C)c1cc(cc(n1)-c1ccc(cc1)[*:1])C(F)(F)F
C[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1)C(N)=O CN(C)[*:1] C[C@@H](Oc1ccc(cc1)-c1cc(cc(n1)[*:1])C(F)(F)F)C(N)=O
CCn1cc[nH+]c1CNc1cnn(-c2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] CCn1cc[nH+]c1CNc1cnn(c1)-c1cccc(c1)[*:1]
CCCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(O)c(OCC)c2)s1 CCOc1cc(ccc1O)[*:1] CCCc1nnc(s1)N1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1[*:1]
CCCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(O)c(OCC)c2)s1 CCCc1nnc(s1)[*:1] CCOc1cc(ccc1O)[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
CCCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(O)c(OCC)c2)s1 CCO[*:1] CCCc1nnc(s1)N1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(O)c(c1)[*:1]
CCCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(O)c(OCC)c2)s1 CCC[*:1] CCOc1cc(ccc1O)[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1nnc(s1)[*:1]
COC(=O)c1cc(F)ccc1CSc1nc2ccccc2n1C COC(=O)[*:1] Cn1c(nc2ccccc21)SCc1ccc(F)cc1[*:1]
C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@H]1CCC[C@H]1C C[C@H]1C[C@H]1C(=O)N[*:1] C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1[*:1]
C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@H]1CCC[C@H]1C C[C@@H]1CCC[C@@H]1[*:1] C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N[*:1]
C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@H]1CCC[C@H]1C C[C@H]1C[C@@H]1[*:1] C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1NC(=O)[*:1]
Cc1cc(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)N(C)Cc1n[nH]c2CCCCCc12
Cc1ccccc1C(c1ccccc1C)C(CC(=O)[O-])CC(=O)[O-] O=C([O-])[*:1] Cc1ccccc1C(c1ccccc1C)C(CC(=O)[O-])C[*:1]
Cc1ccccc1C(c1ccccc1C)C(CC(=O)[O-])CC(=O)[O-] O=C([O-])C[*:1] Cc1ccccc1C(c1ccccc1C)C(CC(=O)[O-])[*:1]
Cc1ccccc1C(c1ccccc1C)C(CC(=O)[O-])CC(=O)[O-] Cc1ccccc1[*:1] Cc1ccccc1C(C(CC(=O)[O-])CC(=O)[O-])[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC1CCCCC1 NC(=O)[*:1] O=C(CCC1CCCCC1)N1Cc2ccccc2C[C@H]1[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC1CCCCC1 C1CCC(CC1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC1CCCCC1 C1CCC(CC1)C[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[*:1]
CC[NH2+][C@@]1(CO)CC[C@H](N2CC[NH+](C(C)(C)C)CC2)C1 CC(C)(C)[*:1] CC[NH2+][C@@]1(CO)CC[C@@H](C1)N1CC[NH+](CC1)[*:1]
C[NH+](C)CCN(C(=O)Nc1ccnn1Cc1ccccn1)C1CCCC1 c1ccc(C[*:1])nc1 C[NH+](C)CCN(C(=O)Nc1ccnn1[*:1])C1CCCC1
C[NH+](C)CCN(C(=O)Nc1ccnn1Cc1ccccn1)C1CCCC1 c1ccc(nc1)[*:1] C[NH+](C)CCN(C(=O)Nc1ccnn1C[*:1])C1CCCC1
C[NH+](C)CCN(C(=O)Nc1ccnn1Cc1ccccn1)C1CCCC1 C1CCC(C1)[*:1] C[NH+](C)CCN(C(=O)Nc1ccnn1Cc1ccccn1)[*:1]
CC(C)(C)C[C@H](CO)NC(=O)c1cncc(F)c1 CC(C)(C)[*:1] O=C(N[C@@H](CO)C[*:1])c1cncc(F)c1
CC(C)(C)C[C@H](CO)NC(=O)c1cncc(F)c1 CC(C)(C)C[*:1] O=C(N[C@@H](CO)[*:1])c1cncc(F)c1
C[C@@H]1[C@@H](OC(=O)c2ccc(CNC(N)=O)cc2)C[C@H]2C[C@@H]1C2(C)C NC(=O)NC[*:1] C[C@@H]1[C@H](C[C@H]2C[C@@H]1C2(C)C)OC(=O)c1ccc(cc1)[*:1]
C[C@@H]1[C@@H](OC(=O)c2ccc(CNC(N)=O)cc2)C[C@H]2C[C@@H]1C2(C)C NC(=O)N[*:1] C[C@@H]1[C@H](C[C@H]2C[C@@H]1C2(C)C)OC(=O)c1ccc(cc1)C[*:1]
CCc1ccc(-c2nc(C[S@@](=O)C[C@@H](C)CC)cs2)cc1 CC[C@H](C)[*:1] CCc1ccc(cc1)-c1nc(cs1)C[S@@](=O)C[*:1]
Cc1cccc(-c2cc(OCC(=O)[O-])ncn2)c1 O=C([O-])C[*:1] Cc1cccc(c1)-c1cc(ncn1)O[*:1]
Cc1cccc(-c2cc(OCC(=O)[O-])ncn2)c1 O=C([O-])CO[*:1] Cc1cccc(c1)-c1cc(ncn1)[*:1]
Cc1cccc(-c2cc(OCC(=O)[O-])ncn2)c1 O=C([O-])[*:1] Cc1cccc(c1)-c1cc(ncn1)OC[*:1]
COc1cc(Cl)c([N-]S(=O)(=O)c2c(C(=O)N3CCCC3)c(C)n(C)c2C)c(OC)c1 O=C(N1CCCC1)[*:1] COc1cc(Cl)c([N-]S(=O)(=O)c2c(c(C)n(C)c2C)[*:1])c(c1)OC
CCOc1cccc2s/c(=N\C(=O)c3ccc(S(C)(=O)=O)cc3)n(CC)c12 CS(=O)(=O)[*:1] CCOc1cccc2s/c(=N\C(=O)c3ccc(cc3)[*:1])n(CC)c12
CCOc1cccc2s/c(=N\C(=O)c3ccc(S(C)(=O)=O)cc3)n(CC)c12 CCO[*:1] CCn1/c(=N/C(=O)c2ccc(cc2)S(C)(=O)=O)sc2cccc(c21)[*:1]
CC[C@H](C)c1ccccc1NC(=S)Nc1ccc(C)c(Cl)c1 CC[C@H](C)[*:1] Cc1ccc(cc1Cl)NC(=S)Nc1ccccc1[*:1]
CO[C@H](C)C(=O)c1ccc(Cl)c(Cl)c1 CO[C@H](C)[*:1] O=C(c1ccc(Cl)c(Cl)c1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)CC[C@H]2C)cc1 CCN(CC)S(=O)(=O)[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCCCOCC(F)(F)F)N1CCC[C@@H]1c1ccc(F)cc1 FC(F)(F)COCC[*:1] O=C(NC[*:1])N1CCC[C@@H]1c1ccc(F)cc1
O=C(NCCCOCC(F)(F)F)N1CCC[C@@H]1c1ccc(F)cc1 FC(F)(F)COC[*:1] O=C(NCC[*:1])N1CCC[C@@H]1c1ccc(F)cc1
O=C(NCCCOCC(F)(F)F)N1CCC[C@@H]1c1ccc(F)cc1 FC(F)(F)C[*:1] O=C(NCCCO[*:1])N1CCC[C@@H]1c1ccc(F)cc1
O=C(NCCCOCC(F)(F)F)N1CCC[C@@H]1c1ccc(F)cc1 FC(F)(F)[*:1] O=C(NCCCOC[*:1])N1CCC[C@@H]1c1ccc(F)cc1
O=C(NCCCOCC(F)(F)F)N1CCC[C@@H]1c1ccc(F)cc1 FC(F)(F)CO[*:1] O=C(NCCC[*:1])N1CCC[C@@H]1c1ccc(F)cc1
O=C(NCCCOCC(F)(F)F)N1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCCOCC(F)(F)F)N1CCC[C@H]1[*:1]
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCC(C)(C)O CC(C)(O)C[*:1] Cc1nc(sc1C(=O)N[*:1])-c1ccc(cc1)C(F)(F)F
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCC(C)(C)O CC(C)(O)[*:1] Cc1nc(sc1C(=O)NC[*:1])-c1ccc(cc1)C(F)(F)F
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCC(C)(C)O FC(F)(F)[*:1] Cc1nc(sc1C(=O)NCC(C)(C)O)-c1ccc(cc1)[*:1]
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCC(C)(C)O CC(C)(O)CNC(=O)[*:1] Cc1nc(sc1[*:1])-c1ccc(cc1)C(F)(F)F
CCOC(=O)[C@H](C)Nc1cc(-n2ncc(=O)n(C)c2=O)c(F)cc1F CCOC(=O)[C@H](C)[*:1] Cn1c(=O)cnn(-c2cc(N[*:1])c(F)cc2F)c1=O
CCOC(=O)[C@H](C)Nc1cc(-n2ncc(=O)n(C)c2=O)c(F)cc1F CCOC(=O)[C@H](C)N[*:1] Cn1c(=O)cnn(-c2cc(c(F)cc2F)[*:1])c1=O
CCOC(=O)[C@H](C)Nc1cc(-n2ncc(=O)n(C)c2=O)c(F)cc1F CCOC(=O)[*:1] C[C@H](Nc1cc(c(F)cc1F)-n1ncc(=O)n(C)c1=O)[*:1]
Cn1c(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc2ccccc21 Fc1ccc(F)c(c1)[*:1] Cn1c(cc2ccccc21)C(=O)N1C[C@@H](O)C[C@H]1[*:1]
C[C@H]1C[C@H]([NH2+]CCOCCS(C)(=O)=O)c2ccsc2S1 CS(=O)(=O)CC[*:1] C[C@H]1C[C@H]([NH2+]CCO[*:1])c2ccsc2S1
C[C@H]1C[C@H]([NH2+]CCOCCS(C)(=O)=O)c2ccsc2S1 CS(=O)(=O)[*:1] C[C@H]1C[C@H]([NH2+]CCOCC[*:1])c2ccsc2S1
C[C@H]1C[C@H]([NH2+]CCOCCS(C)(=O)=O)c2ccsc2S1 CS(=O)(=O)C[*:1] C[C@H]1C[C@H]([NH2+]CCOC[*:1])c2ccsc2S1
CC1(C)CCCN1C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] CC1(C)CCCN1C(=O)c1ccc(cc1)CNC(=O)[*:1]
CC1(C)CCCN1C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 O=C(N[*:1])C1CCCC1 CC1(C)CCCN1C(=O)c1ccc(cc1)C[*:1]
CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 FC(F)(F)[*:1] CN(CC(=O)Nc1ccc(cc1)O[*:1])C(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21
CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 FC(F)(F)O[*:1] CN(CC(=O)Nc1ccc(cc1)[*:1])C(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21
CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 FC(F)(F)Oc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21
Cc1nc(-c2ccc(S(=O)(=O)N(C)Cc3ncnn3C)cc2)co1 Cn1ncnc1C[*:1] Cc1nc(co1)-c1ccc(cc1)S(=O)(=O)N(C)[*:1]
Cc1nc(-c2ccc(S(=O)(=O)N(C)Cc3ncnn3C)cc2)co1 Cn1ncnc1[*:1] Cc1nc(co1)-c1ccc(cc1)S(=O)(=O)N(C)C[*:1]
Cc1nc(-c2ccc(S(=O)(=O)N(C)Cc3ncnn3C)cc2)co1 Cc1nc(co1)[*:1] CN(Cc1ncnn1C)S(=O)(=O)c1ccc(cc1)[*:1]
COc1cccc(-n2nnc(-c3nc(-c4ccccc4F)no3)c2C)c1 COc1cccc(c1)[*:1] Cc1c(nnn1[*:1])-c1nc(no1)-c1ccccc1F
COc1cccc(-n2nnc(-c3nc(-c4ccccc4F)no3)c2C)c1 Fc1ccccc1[*:1] COc1cccc(c1)-n1nnc(-c2nc(no2)[*:1])c1C
CC(C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CC[NH2+]CC1 CC(C)[*:1] O=C(N[*:1])C1(CC[NH2+]CC1)Cc1cc(no1)[C@@H]1CCOC1
CC(C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CC[NH2+]CC1 CC(C)NC(=O)[*:1] c1c(noc1CC1(CC[NH2+]CC1)[*:1])[C@@H]1CCOC1
CC(C)NC(=O)C1(Cc2cc([C@@H]3CCOC3)no2)CC[NH2+]CC1 C1C[C@H](CO1)[*:1] CC(C)NC(=O)C1(CC[NH2+]CC1)Cc1cc(no1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(SCc2cccnc2)cc1 Clc1cccc(c1)O[*:1] C[C@H](C(=O)Nc1ccc(cc1)SCc1cccnc1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(SCc2cccnc2)cc1 c1cncc(c1)CS[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(SCc2cccnc2)cc1 c1cncc(c1)C[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(cc1)S[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(SCc2cccnc2)cc1 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cc1)SCc1cccnc1
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(SCc2cccnc2)cc1 c1cncc(c1)[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(cc1)SC[*:1]
Cc1cc(Br)oc1C(=O)O[C@H](C)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] Cc1cc(Br)oc1C(=O)O[C@H](C)[*:1]
COc1ccc(N(C(=O)C2CCCC2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 C1CCC(C1)[*:1] COc1ccc(c(c1)OC)N(C(=O)[*:1])[C@@H]1C=CS(=O)(=O)C1
Cn1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)c(C(C)(C)C)n1 C1CCCN(CC1)[*:1] Cn1cc(C(=O)Nc2cccc(c2)[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2cccc(N3CCCCCC3)c2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2cccc(c2)N2CCCCCC2)c(n1)[*:1]
CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(F)c(N3CCS(=O)(=O)CC3)c1)C2=O O=S1(=O)CCN(CC1)[*:1] CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(F)c(c1)[*:1])C2=O
COc1ccc(NC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)cc1 COc1ccc(cc1)[*:1] Cn1c(C(=O)N[*:1])c(c2cc(F)ccc21)N1CCCC1=O
COc1ccc(NC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)cc1 O=C1CCCN1[*:1] COc1ccc(cc1)NC(=O)c1c(c2cc(F)ccc2n1C)[*:1]
O=C(NC1CCOCC1)[C@@]12C[NH2+]C[C@@H]1CN(C1CCCC1)C2 C1CCC(C1)[*:1] O=C(NC1CCOCC1)[C@@]12C[NH2+]C[C@@H]1CN(C2)[*:1]
O=C(NC1CCOCC1)[C@@]12C[NH2+]C[C@@H]1CN(C1CCCC1)C2 C1CC(CCO1)[*:1] O=C(N[*:1])[C@@]12C[NH2+]C[C@@H]1CN(C2)C1CCCC1
CC(C)n1ncc2c(C(=O)N3CCCN(C)c4nc5ccccc5nc43)cc(C3CC3)nc21 C1CC1[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)N1CCCN(C)c2nc3ccccc3nc21
CC(C)n1ncc2c(C(=O)N3CCCN(C)c4nc5ccccc5nc43)cc(C3CC3)nc21 CC(C)[*:1] CN1CCCN(C(=O)c2cc(nc3c2cnn3[*:1])C2CC2)c2nc3ccccc3nc21
CCC[C@@H](COC)n1c(N)nc2c(OC)ncnc21 COC[*:1] CCC[C@@H](n1c(N)nc2c(ncnc21)OC)[*:1]
CCC[C@@H](COC)n1c(N)nc2c(OC)ncnc21 CCC[*:1] COC[C@@H](n1c(N)nc2c(ncnc21)OC)[*:1]
C[C@@H](OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCOC1 C1CO[C@@H](C1)C[*:1] C[C@@H](OC(=O)c1ccc(cc1)O[*:1])[C@@H]1CCOC1
C[C@@H](OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCOC1 C1CO[C@@H](C1)[*:1] C[C@@H](OC(=O)c1ccc(cc1)OC[*:1])[C@@H]1CCOC1
C[C@@H](OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCOC1 C1CO[C@@H](C1)CO[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])[C@@H]1CCOC1
COC(=O)CCCN1CC[NH+]([C@@H]2C[C@H](C)CC(C)(C)C2)CC1 COC(=O)CC[*:1] C[C@H]1C[C@H](CC(C)(C)C1)[NH+]1CCN(CC1)C[*:1]
COC(=O)CCCN1CC[NH+]([C@@H]2C[C@H](C)CC(C)(C)C2)CC1 COC(=O)CCC[*:1] C[C@H]1C[C@H](CC(C)(C)C1)[NH+]1CCN(CC1)[*:1]
COC(=O)CCCN1CC[NH+]([C@@H]2C[C@H](C)CC(C)(C)C2)CC1 COC(=O)C[*:1] C[C@H]1C[C@H](CC(C)(C)C1)[NH+]1CCN(CC1)CC[*:1]
COC(=O)CCCN1CC[NH+]([C@@H]2C[C@H](C)CC(C)(C)C2)CC1 COC(=O)[*:1] C[C@H]1C[C@H](CC(C)(C)C1)[NH+]1CCN(CCC[*:1])CC1
C[C@@H]1Cc2cc(-c3cc(CNC(=O)c4cccc(F)c4)no3)ccc2O1 Fc1cccc(c1)[*:1] C[C@@H]1Cc2cc(ccc2O1)-c1cc(CNC(=O)[*:1])no1
CCC(CC)(NS(=O)(=O)C1CCCCC1)C(=O)[O-] C1CCC(CC1)[*:1] CCC(CC)(NS(=O)(=O)[*:1])C(=O)[O-]
CCC(CC)(NS(=O)(=O)C1CCCCC1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NS(=O)(=O)C1CCCCC1)[*:1]
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cncc(C#Cc3ccccc3)c2)cc1 c1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)c1cncc(C#C[*:1])c1
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cncc(C#Cc3ccccc3)c2)cc1 CC(C)(C)[*:1] O=C(NNC(=O)c1cncc(C#Cc2ccccc2)c1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cncc(C#Cc3ccccc3)c2)cc1 C(#C[*:1])c1ccccc1 CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)c1cncc(c1)[*:1]
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cncc(C#Cc3ccccc3)c2)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1cncc(C#Cc2ccccc2)c1
CCCOC[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCCOC[C@@H]([NH3+])c1ccc(cc1)[*:1]
CCCOC[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 CCCO[*:1] CC(C)(C)c1ccc(cc1)[C@H]([NH3+])C[*:1]
CCCOC[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 CCCOC[*:1] CC(C)(C)c1ccc(cc1)[C@H]([NH3+])[*:1]
CCCOC[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 CCC[*:1] CC(C)(C)c1ccc(cc1)[C@H]([NH3+])CO[*:1]
C=CC[NH+]1CCCN(C(=O)c2cc(-c3ccc(C)cc3)on2)CC1 Cc1ccc(cc1)[*:1] C=CC[NH+]1CCCN(CC1)C(=O)c1cc(on1)[*:1]
CC[C@H](C)[C@H](C)N(C(=O)CSc1nc(C)cc(C)n1)C1CC1 C1CC1[*:1] CC[C@H](C)[C@H](C)N(C(=O)CSc1nc(C)cc(C)n1)[*:1]
CC[C@H](C)[C@H](C)N(C(=O)CSc1nc(C)cc(C)n1)C1CC1 CC[C@H](C)[*:1] Cc1cc(C)nc(n1)SCC(=O)N(C1CC1)[C@@H](C)[*:1]
O=C(NCCc1cn2ccccc2n1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(NCCc1cn2ccccc2n1)N1CCN(CC1)[*:1]
COC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C)CC1 c1cn(cn1)C[*:1] COC(=O)N1CCC(CC1)c1nnc(n1C)[*:1]
COC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C)CC1 c1cn(cn1)[*:1] COC(=O)N1CCC(CC1)c1nnc(C[*:1])n1C
Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)C(=O)N[C@@H](C[*:1])C1CCCCC1
Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)c1 NC(=O)C[*:1] Cc1cc(C)cc(c1)C(=O)N[C@@H](C1CCCCC1)[*:1]
Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1cc(C)cc(c1)C(=O)N[C@@H](CC(N)=O)[*:1]
Cc1cccc(C)c1OCCC(=O)N1CC[C@H](C(N)=O)c2ccccc21 NC(=O)[*:1] Cc1cccc(C)c1OCCC(=O)N1CC[C@H](c2ccccc21)[*:1]
Cc1cccc(C)c1OCCC(=O)N1CC[C@H](C(N)=O)c2ccccc21 Cc1cccc(C)c1[*:1] NC(=O)[C@H]1CCN(C(=O)CCO[*:1])c2ccccc21
COc1ccc(CNc2cc(C)nc3nc(-c4cccnc4)nn23)cc1 COc1ccc(cc1)[*:1] Cc1cc(NC[*:1])n2nc(nc2n1)-c1cccnc1
COc1ccc(CNc2cc(C)nc3nc(-c4cccnc4)nn23)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)CNc1cc(C)nc2nc(nn12)[*:1]
Nc1[nH]ncc1CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F Nc1[nH]ncc1[*:1] O=C(NC[*:1])c1c(F)ccc(c1F)[N+](=O)[O-]
Nc1[nH]ncc1CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F Nc1[nH]ncc1C[*:1] O=C(N[*:1])c1c(F)ccc(c1F)[N+](=O)[O-]
Nc1[nH]ncc1CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] Nc1[nH]ncc1CNC(=O)c1c(F)ccc(c1F)[*:1]
CC/[NH+]=C(/NC[C@](C)(O)c1cc(C)oc1C)N[C@H]1C[C@@H]1C Cc1cc(c(C)o1)[*:1] CC/[NH+]=C(/NC[C@](C)(O)[*:1])N[C@H]1C[C@@H]1C
CC/[NH+]=C(/NC[C@](C)(O)c1cc(C)oc1C)N[C@H]1C[C@@H]1C C[C@H]1C[C@@H]1[*:1] CC/[NH+]=C(/NC[C@](C)(O)c1cc(C)oc1C)N[*:1]
C[C@@H](CCc1ccc(O)cc1)NC(=O)C1C[C@@H](C)O[C@H](C)C1 Oc1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)C1C[C@@H](C)O[C@H](C)C1
C#CCNCC(=O)N(C)C[C@@H]1C[C@H]2CC[C@@H]1C2 C#CCNC[*:1] CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)[*:1]
C#CCNCC(=O)N(C)C[C@@H]1C[C@H]2CC[C@@H]1C2 C#CC[*:1] CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)CN[*:1]
C#CCNCC(=O)N(C)C[C@@H]1C[C@H]2CC[C@@H]1C2 C#CCN[*:1] CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)C[*:1]
COc1ccc(/C=C/C(=O)NC(C)(C)CC(C)(C)C)c(OC)c1 CC(C)(C)C[*:1] COc1ccc(/C=C/C(=O)NC(C)(C)[*:1])c(c1)OC
COc1ccc(/C=C/C(=O)NC(C)(C)CC(C)(C)C)c(OC)c1 CC(C)(C)[*:1] COc1ccc(/C=C/C(=O)NC(C)(C)C[*:1])c(c1)OC
CCCN1CCN(C(=O)c2cc(C)nc(N)n2)[C@@H](Cc2ccccc2-c2ccccc2)C1=O Cc1cc(nc(N)n1)[*:1] CCCN1CCN(C(=O)[*:1])[C@@H](Cc2ccccc2-c2ccccc2)C1=O
CCCN1CCN(C(=O)c2cc(C)nc(N)n2)[C@@H](Cc2ccccc2-c2ccccc2)C1=O CCC[*:1] Cc1cc(nc(N)n1)C(=O)N1CCN(C(=O)[C@@H]1Cc1ccccc1-c1ccccc1)[*:1]
CCCN1CCN(C(=O)c2cc(C)nc(N)n2)[C@@H](Cc2ccccc2-c2ccccc2)C1=O c1ccc(cc1)[*:1] CCCN1CCN(C(=O)c2cc(C)nc(N)n2)[C@@H](Cc2ccccc2[*:1])C1=O
O=C(Nc1nnc(-c2cccc(Br)c2)s1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Nc1nnc(s1)-c1cccc(Br)c1)N[*:1]
O=C(Nc1nnc(-c2cccc(Br)c2)s1)Nc1ccccc1F Brc1cccc(c1)[*:1] O=C(Nc1nnc(s1)[*:1])Nc1ccccc1F
Cc1ccc(C(=O)NCc2ccncc2)c(NN)c1 c1cc(ccn1)[*:1] Cc1ccc(C(=O)NC[*:1])c(c1)NN
COc1ccc(NC(C)=O)cc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1)[*:1]
CC[C@@H](NC(=O)N(C)C[C@@H](C)O)c1ccccc1OC(F)F FC(F)O[*:1] CC[C@@H](NC(=O)N(C)C[C@@H](C)O)c1ccccc1[*:1]
CC[C@@H](NC(=O)N(C)C[C@@H](C)O)c1ccccc1OC(F)F FC(F)[*:1] CC[C@@H](NC(=O)N(C)C[C@@H](C)O)c1ccccc1O[*:1]
CC[C@@H](NC(=O)N(C)C[C@@H](C)O)c1ccccc1OC(F)F C[C@@H](O)[*:1] CC[C@@H](NC(=O)N(C)C[*:1])c1ccccc1OC(F)F
CC[C@@H](NC(=O)N(C)C[C@@H](C)O)c1ccccc1OC(F)F C[C@@H](O)C[*:1] CC[C@@H](NC(=O)N(C)[*:1])c1ccccc1OC(F)F
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccco2)sc2c1CCCCC2 c1coc(c1)[*:1] CCOC(=O)c1c(NC(=O)C(=O)NN=C[*:1])sc2CCCCCc21
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccco2)sc2c1CCCCC2 CCOC(=O)[*:1] O=C(N/N=C/c1ccco1)C(=O)Nc1sc2CCCCCc2c1[*:1]
O=C([O-])CCn1cc(Cl)c([N+](=O)[O-])n1 O=[N+]([O-])[*:1] O=C([O-])CCn1cc(Cl)c(n1)[*:1]
O=C([O-])CCn1cc(Cl)c([N+](=O)[O-])n1 O=C([O-])[*:1] O=[N+]([O-])c1nn(cc1Cl)CC[*:1]
O=C([O-])CCn1cc(Cl)c([N+](=O)[O-])n1 O=C([O-])C[*:1] O=[N+]([O-])c1nn(cc1Cl)C[*:1]
Cc1nnsc1C(=O)Nc1cc(C[NH+](C)C)n[nH]1 Cc1nnsc1[*:1] C[NH+](C)Cc1cc(NC(=O)[*:1])[nH]n1
FC(F)(F)Cn1cc[nH+]c1CN1CCC[C@@H]1c1ccccc1Cl FC(F)(F)[*:1] Clc1ccccc1[C@H]1CCCN1Cc1[nH+]ccn1C[*:1]
FC(F)(F)Cn1cc[nH+]c1CN1CCC[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] FC(F)(F)Cn1cc[nH+]c1CN1CCC[C@H]1[*:1]
FC(F)(F)Cn1cc[nH+]c1CN1CCC[C@@H]1c1ccccc1Cl FC(F)(F)C[*:1] Clc1ccccc1[C@H]1CCCN1Cc1[nH+]ccn1[*:1]
CCC(CC)[NH+](CC(C)C)CC1([NH3+])CCCC1 CCC(CC)[*:1] CC(C)C[NH+](CC1([NH3+])CCCC1)[*:1]
CCC(CC)[NH+](CC(C)C)CC1([NH3+])CCCC1 CC(C)[*:1] CCC(CC)[NH+](CC1([NH3+])CCCC1)C[*:1]
CCC(CC)[NH+](CC(C)C)CC1([NH3+])CCCC1 CC(C)C[*:1] CCC(CC)[NH+](CC1([NH3+])CCCC1)[*:1]
COc1cc(CN2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)cc(OC)c1 c1coc(c1)[*:1] COc1cc(cc(c1)OC)CN1C(=O)[C@](N=C1O)(NC(=O)[*:1])C(F)(F)F
COc1cc(CN2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)cc(OC)c1 FC(F)(F)[*:1] COc1cc(cc(c1)OC)CN1C(=O)[C@@](N=C1O)(NC(=O)c1ccco1)[*:1]
COc1cc(CN2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)cc(OC)c1 O=C(N[*:1])c1ccco1 COc1cc(cc(c1)OC)CN1C(=O)[C@@](N=C1O)(C(F)(F)F)[*:1]
COc1cc(CN2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)cc(OC)c1 COc1cc(cc(c1)[*:1])OC O=C(N[C@]1(N=C(O)N(C[*:1])C1=O)C(F)(F)F)c1ccco1
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)cc1OC CN1CCN(CC1)C(=O)[*:1] COc1ccc(cc1OC)S(=O)(=O)N1CCC[C@H](C1)[*:1]
COC(=O)[C@@H]1CCN(C(=O)c2ncoc2-c2ccco2)c2ccccc21 c1coc(c1)[*:1] COC(=O)[C@@H]1CCN(C(=O)c2ncoc2[*:1])c2ccccc21
COC(=O)[C@@H]1CCN(C(=O)c2ncoc2-c2ccco2)c2ccccc21 COC(=O)[*:1] O=C(c1ncoc1-c1ccco1)N1CC[C@H](c2ccccc21)[*:1]
COC(=O)c1ccoc1CN1CCN(C(=O)N(C)C)CC1 COC(=O)[*:1] CN(C)C(=O)N1CCN(CC1)Cc1occc1[*:1]
Cc1nn(C(=O)c2ccccc2[N+](=O)[O-])c(C)c1CCC(C)C CC(C)CC[*:1] Cc1nn(C(=O)c2ccccc2[N+](=O)[O-])c(C)c1[*:1]
Cc1nn(C(=O)c2ccccc2[N+](=O)[O-])c(C)c1CCC(C)C CC(C)C[*:1] Cc1nn(C(=O)c2ccccc2[N+](=O)[O-])c(C)c1C[*:1]
Cc1nn(C(=O)c2ccccc2[N+](=O)[O-])c(C)c1CCC(C)C CC(C)[*:1] Cc1nn(C(=O)c2ccccc2[N+](=O)[O-])c(C)c1CC[*:1]
Cc1nn(C(=O)c2ccccc2[N+](=O)[O-])c(C)c1CCC(C)C O=[N+]([O-])[*:1] Cc1nn(C(=O)c2ccccc2[*:1])c(C)c1CCC(C)C
Cc1ccc([C@H]2CC[NH2+]C[C@@H]2Cc2ccccc2)cc1F c1ccc(cc1)C[*:1] Cc1ccc(cc1F)[C@H]1CC[NH2+]C[C@H]1[*:1]
Cc1ccc([C@H]2CC[NH2+]C[C@@H]2Cc2ccccc2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)[C@H]1CC[NH2+]C[C@@H]1C[*:1]
CCOCCNC(=O)N[C@@H](CO)c1ccc(Cl)c(F)c1 CCOC[*:1] O=C(NC[*:1])N[C@@H](CO)c1ccc(Cl)c(F)c1
CCOCCNC(=O)N[C@@H](CO)c1ccc(Cl)c(F)c1 CCO[*:1] O=C(NCC[*:1])N[C@@H](CO)c1ccc(Cl)c(F)c1
CCOCCNC(=O)N[C@@H](CO)c1ccc(Cl)c(F)c1 CCOCC[*:1] O=C(N[C@@H](CO)c1ccc(Cl)c(F)c1)N[*:1]
C[C@@H]1CCCN(C(=O)NCc2c(F)cccc2OC(F)F)C1 FC(F)[*:1] C[C@@H]1CCCN(C1)C(=O)NCc1c(F)cccc1O[*:1]
C[C@@H]1CCCN(C(=O)NCc2c(F)cccc2OC(F)F)C1 FC(F)O[*:1] C[C@@H]1CCCN(C1)C(=O)NCc1c(F)cccc1[*:1]
COCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C CC(C)[*:1] COCC(=O)Nc1cc(ccc1O[*:1])S(=O)(=O)N1CCOCC1
COCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C CC(C)O[*:1] COCC(=O)Nc1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1
COCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C COCC(=O)N[*:1] CC(C)Oc1ccc(cc1[*:1])S(=O)(=O)N1CCOCC1
COCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C COC[*:1] CC(C)Oc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCOCC1
CSc1ccc2nc(NC(=O)c3ccccc3C)sc2c1 Cc1ccccc1[*:1] CSc1ccc2nc(NC(=O)[*:1])sc2c1
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1 CC(C)(C)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1)O[*:1]
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccncc1)[*:1]
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N[C@@H](C[*:1])C(=O)Nc1ccncc1
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[*:1]
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1 CC(C)(C)OC(=O)N[*:1] O=C(Nc1ccncc1)[C@H](Cc1ccccc1)[*:1]
CC(=O)N1CCC(C(=O)O[C@@H](c2ccccc2)c2ccncc2)CC1 c1cc(ccn1)[*:1] CC(=O)N1CCC(CC1)C(=O)O[C@@H](c1ccccc1)[*:1]
CC(=O)N1CCC(C(=O)O[C@@H](c2ccccc2)c2ccncc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)C(=O)O[C@@H](c1ccncc1)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[NH+]1CCCCC1 N#Cc1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)N[C@@H](C)C[NH+]1CCCCC1
CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[NH+]1CCCCC1 CCC[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)N(Cc1ccc(C#N)cc1)[*:1]
COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCCCC3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)S(=O)(=O)N1CCCCC1
COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCCCC3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)N1CCCCC1
c1ccc(-c2nnc(Sc3nc(-c4cccs4)n[n-]3)s2)cc1 c1csc(c1)[*:1] c1ccc(cc1)-c1nnc(Sc2nc(n[n-]2)[*:1])s1
c1ccc(-c2nnc(Sc3nc(-c4cccs4)n[n-]3)s2)cc1 c1ccc(cc1)[*:1] c1csc(c1)-c1n[n-]c(n1)Sc1nnc(s1)[*:1]
O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)O[*:1])c1ccc(cc1)-c1ccccc1
O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)Oc1ccccc1)c1ccc(cc1)[*:1]
CCOc1ncccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 CCO[*:1] CS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1cccnc1[*:1]
O=C1C[C@H](C(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)CN1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCCN(CC1)c1ccc(=O)n(n1)-c1ccccc1
O=C1C[C@H](C(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)CN1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](CN1CCc1ccccc1)C(=O)N1CCCN(CC1)c1ccc(=O)n(n1)[*:1]
O=C1C[C@H](C(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)CN1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1CCCN(CC1)c1ccc(=O)n(n1)-c1ccccc1
O=C1C[C@H](C(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)CN1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](CN1CC[*:1])C(=O)N1CCCN(CC1)c1ccc(=O)n(n1)-c1ccccc1
O=C(CNC(=O)c1ccc2c(n1)NC(=O)CS2)Nc1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] O=C1CSc2ccc(nc2N1)C(=O)NCC(=O)N[*:1]
O=C(CCc1cccnc1)Nc1ccsc1C(=O)[O-] O=C([O-])[*:1] O=C(CCc1cccnc1)Nc1ccsc1[*:1]
O=C(CCc1cccnc1)Nc1ccsc1C(=O)[O-] c1cncc(c1)[*:1] O=C(CC[*:1])Nc1ccsc1C(=O)[O-]
Cc1ccccc1CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 N#Cc1ccccc1[*:1] Cc1ccccc1CCNC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccccc1CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 Cc1ccccc1C[*:1] N#Cc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccccc1CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 Cc1ccccc1[*:1] N#Cc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
Cc1ccccc1CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 Cc1ccccc1CC[*:1] N#Cc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1C#N c1ncn(n1)[*:1] Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2[*:1])c1C#N
C[C@@H](NC(=O)N1CCC2(CCCC2)CC1)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@@H](NC(=O)N1CCC2(CCCC2)CC1)c1ccc(cc1)[*:1]
COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1Cl c1csc(c1)[*:1] COc1ccc(cc1Cl)C(=O)N(Cc1ccco1)C[*:1]
COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1Cl c1coc(c1)[*:1] COc1ccc(cc1Cl)C(=O)N(Cc1cccs1)C[*:1]
COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1Cl c1coc(c1)C[*:1] COc1ccc(cc1Cl)C(=O)N(Cc1cccs1)[*:1]
COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1Cl c1csc(c1)C[*:1] COc1ccc(cc1Cl)C(=O)N(Cc1ccco1)[*:1]
CC[C@@H](CS)Cn1cnc(C)c(Br)c1=O CC[C@@H](CS)[*:1] Cc1ncn(C[*:1])c(=O)c1Br
COc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])C(=O)N(C)[C@@H]1CCc2ccccc21
COc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])C(=O)N(C)[C@@H]1CCc2ccccc21
CCCCCO[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O c1ccc(cc1)[*:1] CCCCCO[C@@H]1N=C(c2cc(Br)ccc2NC1=O)[*:1]
CCCCCO[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O CCCCCO[*:1] O=C1Nc2ccc(Br)cc2C(=N[C@H]1[*:1])c1ccccc1
CCCCCO[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O CCC[*:1] O=C1Nc2ccc(Br)cc2C(=N[C@H]1OCC[*:1])c1ccccc1
CCCCCO[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O CCCCC[*:1] O=C1Nc2ccc(Br)cc2C(=N[C@H]1O[*:1])c1ccccc1
CCCCCO[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O CCCC[*:1] O=C1Nc2ccc(Br)cc2C(=N[C@H]1OC[*:1])c1ccccc1
CC(=O)N1CCc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2C1 Fc1ccc(F)c(c1)[*:1] CC(=O)N1CCc2ccc(cc2C1)NS(=O)(=O)[*:1]
Cc1nc(-c2cccc(C(=O)NCCn3cnnc3C(C)C)c2)no1 CC(C)[*:1] Cc1nc(no1)-c1cccc(c1)C(=O)NCCn1cnnc1[*:1]
Cc1nc(-c2cccc(C(=O)NCCn3cnnc3C(C)C)c2)no1 CC(C)c1nncn1[*:1] Cc1nc(no1)-c1cccc(c1)C(=O)NCC[*:1]
Cc1nc(-c2cccc(C(=O)NCCn3cnnc3C(C)C)c2)no1 Cc1nc(no1)[*:1] CC(C)c1nncn1CCNC(=O)c1cccc(c1)[*:1]
COc1cc([C@H](C2=C(C)N=N[C@@H]2O)c2c(C)n[nH]c2[O-])ccc1OC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1cc(ccc1OC(=O)[*:1])[C@H](C1=C(C)N=N[C@@H]1O)c1c(C)n[nH]c1[O-]
COc1cc([C@H](C2=C(C)N=N[C@@H]2O)c2c(C)n[nH]c2[O-])ccc1OC(=O)c1ccc(C)cc1 Cc1ccc(cc1)C(=O)O[*:1] COc1cc(ccc1[*:1])[C@H](C1=C(C)N=N[C@@H]1O)c1c(C)n[nH]c1[O-]
C[C@H]1CCc2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c(C(N)=O)c2C1 c1ccc(cc1)[*:1] C[C@H]1CCc2sc(NC(=O)c3ccc(cc3)C(=O)[*:1])c(C(N)=O)c2C1
C[C@H]1CCc2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c(C(N)=O)c2C1 NC(=O)[*:1] C[C@H]1CCc2sc(NC(=O)c3ccc(cc3)C(=O)c3ccccc3)c(c2C1)[*:1]
C[C@H]1CCc2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c(C(N)=O)c2C1 O=C(c1ccccc1)[*:1] C[C@H]1CCc2sc(NC(=O)c3ccc(cc3)[*:1])c(C(N)=O)c2C1
Cc1ccnc2c1nc([C@@H](C)Cl)n2[C@@H](C)c1ccco1 c1coc(c1)[*:1] Cc1ccnc2c1nc([C@@H](C)Cl)n2[C@@H](C)[*:1]
Cc1ccnc2c1nc([C@@H](C)Cl)n2[C@@H](C)c1ccco1 C[C@@H](Cl)[*:1] Cc1ccnc2c1nc(n2[C@@H](C)c1ccco1)[*:1]
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3)[nH]n2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1cc(n[nH]1)S(=O)(=O)[N-][*:1]
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3)[nH]n2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)[N-]S(=O)(=O)c1cc([nH]n1)C(=O)N[*:1]
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3)[nH]n2)cc1 CCO[*:1] Cc1ccc(cc1)NC(=O)c1cc(n[nH]1)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3sc(Cc4ccccc4)nc3C)CC2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)C(=O)CC1CCN(CC1)C(=O)c1sc(C[*:1])nc1C
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3sc(Cc4ccccc4)nc3C)CC2)CC1 c1ccc(cc1)C[*:1] CC[NH+]1CCN(CC1)C(=O)CC1CCN(CC1)C(=O)c1sc(nc1C)[*:1]
CC(=O)Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 CC(=O)N[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCC[C@@H]1c1ccc(F)cc1
CC(=O)Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)N1CCC[C@H]1[*:1]
CCCCc1cnc2c(c1SCC(=O)N1CCN(c3ccccc3)CC1)c(=O)n(C)c(=O)n2C c1ccc(cc1)[*:1] CCCCc1cnc2c(c1SCC(=O)N1CCN(CC1)[*:1])c(=O)n(C)c(=O)n2C
CCCCc1cnc2c(c1SCC(=O)N1CCN(c3ccccc3)CC1)c(=O)n(C)c(=O)n2C CCCC[*:1] Cn1c(=O)c2c(SCC(=O)N3CCN(CC3)c3ccccc3)c(cnc2n(C)c1=O)[*:1]
CCCCc1cnc2c(c1SCC(=O)N1CCN(c3ccccc3)CC1)c(=O)n(C)c(=O)n2C CCC[*:1] Cn1c(=O)c2c(SCC(=O)N3CCN(CC3)c3ccccc3)c(cnc2n(C)c1=O)C[*:1]
Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)nn1C Clc1cccc(c1)[*:1] Cc1cc(nn1C)NC(=O)c1cc(nc2ccccc12)[*:1]
Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)nn1C Cc1cc(nn1C)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1cccc(Cl)c1
COc1ccc(C2=C[C@@H](c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)N=N2)cc1 COc1ccc(cc1)[*:1] Cc1cc(nc2sc3c(ncn4nc(nc34)[C@@H]3C=C(N=N3)[*:1])c12)C(F)(F)F
COc1ccc(C2=C[C@@H](c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)N=N2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C1=C[C@H](N=N1)c1nc2c3sc4nc(cc(C)c4c3ncn2n1)[*:1]
C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O c1cc2OCOc2cc1[*:1] C[C@@H](C(=O)NC[*:1])N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O
C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O c1cc2OCOc2cc1C[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O
CCOc1ccc(CNc2nc3ccc(C)cc3n3nnnc23)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CNc1nc2ccc(C)cc2n2nnnc12
Cc1ccccc1C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 Fc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N1CCC(CC1)c1nnc(o1)[*:1]
Cc1ccccc1C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 Cc1ccccc1[*:1] O=C(N1CCC(CC1)c1nnc(o1)-c1ccc(F)cc1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncn[nH]2)cc1 CC(C)[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)CSc1ncn[nH]1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncn[nH]2)cc1 c1n[nH]c(n1)SC[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncn[nH]2)cc1 CC(C)N(C)S(=O)(=O)[*:1] O=C(CSc1ncn[nH]1)Nc1ccc(cc1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncn[nH]2)cc1 c1n[nH]c(n1)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)NC(=O)CS[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncn[nH]2)cc1 c1n[nH]c(n1)S[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1ccc2ncc(/C([O-])=N/c3nc(-c4ccccn4)n[nH]3)n2c1 c1ccc(nc1)[*:1] Cc1ccc2ncc(/C([O-])=N/c3nc(n[nH]3)[*:1])n2c1
CCCCOc1cccc(NC(=O)C(=O)NC2CCC(O)CC2)c1 CCCC[*:1] O=C(Nc1cccc(c1)O[*:1])C(=O)NC1CCC(O)CC1
CCCCOc1cccc(NC(=O)C(=O)NC2CCC(O)CC2)c1 OC1CCC(CC1)[*:1] CCCCOc1cccc(c1)NC(=O)C(=O)N[*:1]
CCCCOc1cccc(NC(=O)C(=O)NC2CCC(O)CC2)c1 CCCCO[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)NC1CCC(O)CC1
CCCCOc1cccc(NC(=O)C(=O)NC2CCC(O)CC2)c1 CCC[*:1] O=C(Nc1cccc(c1)OC[*:1])C(=O)NC1CCC(O)CC1
C[C@H](/C([O-])=N/c1ncn[nH]1)S(=O)(=O)c1ccc(F)cc1 c1n[nH]c(n1)[*:1] C[C@H](C([O-])=N[*:1])S(=O)(=O)c1ccc(F)cc1
COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 COc1ccc(C)cc1[*:1] COc1cc(cc(OC)c1OC)C(=O)N1CCC(CC1)C(=O)N[*:1]
O=C(c1cc(-c2ccccc2F)on1)N(C[C@H]1CCOC1)C1CC1 C1CC1[*:1] O=C(c1cc(on1)-c1ccccc1F)N(C[C@H]1CCOC1)[*:1]
O=C(c1cc(-c2ccccc2F)on1)N(C[C@H]1CCOC1)C1CC1 Fc1ccccc1[*:1] O=C(c1cc(on1)[*:1])N(C[C@H]1CCOC1)C1CC1
O=C1Nc2ccccc2/C1=C/[C@H]1C=NN=C1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C1Nc2ccccc2/C1=C/[C@H]1C=NN=C1c1ccccc1[*:1]
CCOCCN(C)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 CCOCC[*:1] CN(C(=O)C1(CCCC1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CCOCCN(C)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)[*:1] CCOCCN(C)C(=O)C1(CCCC1)S(=O)(=O)[*:1]
CCOCCN(C)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 CCO[*:1] CN(CC[*:1])C(=O)C1(CCCC1)S(=O)(=O)c1ccc(Cl)cc1
CCOCCN(C)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 CCOC[*:1] CN(C[*:1])C(=O)C1(CCCC1)S(=O)(=O)c1ccc(Cl)cc1
C[C@@H](CN1CCOCC1)NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 C1CN(CCO1)[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H](CO)c1ccc(Cl)cc1
C[C@@H](CN1CCOCC1)NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CN1CCOCC1)NC(=O)N[C@@H](CO)[*:1]
C[C@@H](CN1CCOCC1)NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 C1CN(CCO1)C[*:1] C[C@@H](NC(=O)N[C@@H](CO)c1ccc(Cl)cc1)[*:1]
Cn1nc(C2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)n(C2CCCC2)c1=O c1cc2OCOc2cc1[*:1] Cn1nc(C2CCN(CC2)C(=O)C=C[*:1])n(c1=O)C1CCCC1
Cn1nc(C2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)n(C2CCCC2)c1=O C1CCC(C1)[*:1] Cn1nc(C2CCN(CC2)C(=O)/C=C/c2ccc3OCOc3c2)n(c1=O)[*:1]
COc1ccc([C@H](O)CNC(=O)N[C@H]2CCCc3ccc(F)cc32)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H](O)[*:1])N[C@H]1CCCc2ccc(F)cc21
CC(=O)N[C@H]1CNC(=O)C1(c1ccccc1)c1ccccc1 CC(=O)N[*:1] O=C1NC[C@@H](C1(c1ccccc1)c1ccccc1)[*:1]
CC(=O)N[C@H]1CNC(=O)C1(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@H]1CNC(=O)C1(c1ccccc1)[*:1]
CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/N2CCCCC2)C1=O C1CCN(CC1)[*:1] CC1(C)Oc2ccc3ccc(=O)oc3c2C(=C[*:1])C1=O
CC(C)Cc1ccc([C@H](CC(=O)[O-])C(F)(F)F)cc1 O=C([O-])C[*:1] CC(C)Cc1ccc(cc1)[C@H](C(F)(F)F)[*:1]
CC(C)Cc1ccc([C@H](CC(=O)[O-])C(F)(F)F)cc1 CC(C)[*:1] O=C([O-])C[C@@H](c1ccc(cc1)C[*:1])C(F)(F)F
CC(C)Cc1ccc([C@H](CC(=O)[O-])C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)Cc1ccc(cc1)[C@H](CC(=O)[O-])[*:1]
CC(C)Cc1ccc([C@H](CC(=O)[O-])C(F)(F)F)cc1 CC(C)C[*:1] O=C([O-])C[C@@H](c1ccc(cc1)[*:1])C(F)(F)F
CC(C)Cc1ccc([C@H](CC(=O)[O-])C(F)(F)F)cc1 O=C([O-])[*:1] CC(C)Cc1ccc(cc1)[C@H](C[*:1])C(F)(F)F
CCOC(=O)c1c(NC(=O)c2cc(C#N)cs2)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)c2cc(C#N)cs2)c(c1C)[*:1]
CCOC(=O)c1c(NC(=O)c2cc(C#N)cs2)sc(C)c1C N#Cc1csc(c1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc(C)c1C
Cn1c(Sc2ccc3nnc(C(F)F)n3n2)nc2ccccc21 FC(F)[*:1] Cn1c(nc2ccccc21)Sc1ccc2nnc(n2n1)[*:1]
CC(=O)O[C@H]1Oc2ccc(C)cc2-c2oc(=O)c(Sc3ccccc3)cc21 c1ccc(cc1)S[*:1] CC(=O)O[C@H]1Oc2ccc(C)cc2-c2oc(=O)c(cc21)[*:1]
CC(=O)O[C@H]1Oc2ccc(C)cc2-c2oc(=O)c(Sc3ccccc3)cc21 c1ccc(cc1)[*:1] CC(=O)O[C@H]1Oc2ccc(C)cc2-c2oc(=O)c(cc21)S[*:1]
CC(=O)O[C@H]1Oc2ccc(C)cc2-c2oc(=O)c(Sc3ccccc3)cc21 CC(=O)O[*:1] Cc1ccc2O[C@@H](c3cc(Sc4ccccc4)c(=O)oc3-c2c1)[*:1]
CC(C)=C[C@H]1[C@H](C(=O)N2CCC(c3ccnn3CCO)CC2)C1(C)C CC(C)=C[*:1] CC1(C)[C@@H](C(=O)N2CCC(CC2)c2ccnn2CCO)[C@@H]1[*:1]
CC(C)=C[C@H]1[C@H](C(=O)N2CCC(c3ccnn3CCO)CC2)C1(C)C OCC[*:1] CC(C)=C[C@H]1[C@H](C(=O)N2CCC(CC2)c2ccnn2[*:1])C1(C)C
CC(C)=C[C@H]1[C@H](C(=O)N2CCC(c3ccnn3CCO)CC2)C1(C)C OCCn1nccc1[*:1] CC(C)=C[C@H]1[C@H](C(=O)N2CCC(CC2)[*:1])C1(C)C
Cc1n[nH]c(SCC(=O)OCN2C(=O)c3ccccc3C2=O)n1 Cc1n[nH]c(n1)S[*:1] O=C(C[*:1])OCN1C(=O)c2ccccc2C1=O
Cc1n[nH]c(SCC(=O)OCN2C(=O)c3ccccc3C2=O)n1 Cc1n[nH]c(n1)[*:1] O=C(CS[*:1])OCN1C(=O)c2ccccc2C1=O
Cc1nc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C#N)c(C)c1C CC(C)[*:1] Cc1nc(SCC(=O)Nc2c(cccc2[*:1])C(C)C)c(C#N)c(C)c1C
Cc1cccc(C)c1NC(=O)c1scnc1C1CC1 C1CC1[*:1] Cc1cccc(C)c1NC(=O)c1scnc1[*:1]
CCCc1cc(C(=O)NC[C@@H]2CC[C@H](C(=O)[O-])O2)sc1C CCC[*:1] Cc1sc(cc1[*:1])C(=O)NC[C@@H]1CC[C@@H](O1)C(=O)[O-]
CCCc1cc(C(=O)NC[C@@H]2CC[C@H](C(=O)[O-])O2)sc1C O=C([O-])[*:1] CCCc1cc(sc1C)C(=O)NC[C@@H]1CC[C@H](O1)[*:1]
CC[C@@H](C)[NH+]1CCN([C@@H]2CC[C@@](CO)([NH2+]C)C2)CC1 CC[C@@H](C)[*:1] C[NH2+][C@]1(CO)CC[C@H](C1)N1CC[NH+](CC1)[*:1]
CC(C)(C)n1cc(NC(=O)c2ccc(-n3ccnc3)nc2)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)[*:1])c1ccc(nc1)-n1ccnc1
CC(C)(C)n1cc(NC(=O)c2ccc(-n3ccnc3)nc2)cn1 c1cn(cn1)[*:1] CC(C)(C)n1cc(cn1)NC(=O)c1ccc(nc1)[*:1]
O=C(NCC1(c2cccs2)CC1)c1ccccc1F c1csc(c1)[*:1] O=C(NCC1(CC1)[*:1])c1ccccc1F
CCCCCn1c([O-])c(C(=O)Nc2c([O-])[nH]c3ccccc3c2=O)c(=O)c2ccccc21 CCCCC[*:1] O=C(Nc1c([O-])[nH]c2ccccc2c1=O)c1c([O-])n(c2ccccc2c1=O)[*:1]
CCCCCn1c([O-])c(C(=O)Nc2c([O-])[nH]c3ccccc3c2=O)c(=O)c2ccccc21 CCCC[*:1] O=C(Nc1c([O-])[nH]c2ccccc2c1=O)c1c([O-])n(C[*:1])c2ccccc2c1=O
CCCCCn1c([O-])c(C(=O)Nc2c([O-])[nH]c3ccccc3c2=O)c(=O)c2ccccc21 CCC[*:1] O=C(Nc1c([O-])[nH]c2ccccc2c1=O)c1c([O-])n(CC[*:1])c2ccccc2c1=O
O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cccc2ccnn12 C1CC1[*:1] O=C(NC[C@@H]1CC(=O)N(C1)[*:1])c1cccc2ccnn12
Cc1cccc([C@H](CCl)C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1cccc(c1)[C@H](CCl)C[*:1]
COc1ccccc1CN(CCO)C(=O)N[C@H](C)C(C)C OCC[*:1] COc1ccccc1CN(C(=O)N[C@H](C)C(C)C)[*:1]
COc1ccccc1CN(CCO)C(=O)N[C@H](C)C(C)C CC(C)[*:1] COc1ccccc1CN(CCO)C(=O)N[C@H](C)[*:1]
COc1ccccc1CN(CCO)C(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] COc1ccccc1CN(CCO)C(=O)N[*:1]
CCc1ccccc1NC(=O)CNC(=O)/C=C/c1ccc2ccccc2n1 CCc1ccccc1[*:1] O=C(/C=C/c1ccc2ccccc2n1)NCC(=O)N[*:1]
C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCCC2)C1 c1ccc(cc1)C[*:1] C[C@H]1CC[C@H](C1)[NH2+][C@@H](C(=O)N1CCCCC1)[*:1]
C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCCC2)C1 c1ccc(cc1)[*:1] C[C@H]1CC[C@H](C1)[NH2+][C@@H](C[*:1])C(=O)N1CCCCC1
COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccc(F)cc5)C4)sc3n2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C1)c1nn2cc(nc2s1)[*:1]
COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccc(F)cc5)C4)sc3n2)cc1 O=C(NCc1ccc(F)cc1)[*:1] COc1ccc(cc1)-c1cn2nc(sc2n1)N1CCC[C@@H](C1)[*:1]
COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccc(F)cc5)C4)sc3n2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cn2nc(sc2n1)N1CCC[C@H](C1)C(=O)NC[*:1]
COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccc(F)cc5)C4)sc3n2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1cn2nc(sc2n1)N1CCC[C@H](C1)C(=O)N[*:1]
O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1-c1cccnc1 Fc1cccc(Cl)c1[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1cccnc1
O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1-c1cccnc1 Fc1cccc(Cl)c1C[*:1] O=c1c2ccccc2nc(S[*:1])n1-c1cccnc1
O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1-c1cccnc1 c1cncc(c1)[*:1] O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1[*:1]
C[C@H](CNC(=O)/C=C/C1CC1)c1nc(-c2ccccc2)no1 C1CC1[*:1] C[C@H](CNC(=O)C=C[*:1])c1nc(no1)-c1ccccc1
C[C@H](CNC(=O)/C=C/C1CC1)c1nc(-c2ccccc2)no1 C(=C[*:1])C1CC1 C[C@H](CNC(=O)[*:1])c1nc(no1)-c1ccccc1
C[C@H](CNC(=O)/C=C/C1CC1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)/C=C/C1CC1)c1nc(no1)[*:1]
CCNc1nc(SCCn2cccn2)nc2ccccc12 c1cnn(c1)[*:1] CCNc1nc(nc2ccccc12)SCC[*:1]
CCNc1nc(SCCn2cccn2)nc2ccccc12 CCN[*:1] c1ccc2c(nc(nc2c1)SCCn1cccn1)[*:1]
CCNc1nc(SCCn2cccn2)nc2ccccc12 c1cnn(c1)CC[*:1] CCNc1nc(nc2ccccc12)S[*:1]
CCNc1nc(SCCn2cccn2)nc2ccccc12 c1cnn(c1)C[*:1] CCNc1nc(nc2ccccc12)SC[*:1]
Cc1ccc(-c2csc(NC(=O)CCSc3nnc4ccc5ccccc5n34)c2C(N)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1csc(NC(=O)CCSc2nnc3ccc4ccccc4n23)c1[*:1]
Cc1ccc(-c2csc(NC(=O)CCSc3nnc4ccc5ccccc5n34)c2C(N)=O)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1c(csc1NC(=O)CCSc1nnc2ccc3ccccc3n12)[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(N(C)C)c1 CN(C)[*:1] Cc1ccc(c(C)c1NC(=O)c1cccc(c1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cccc(N(C)C)c1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)c1cccc(c1)N(C)C)[*:1]
CC(=O)NCc1ccc(S(=O)(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CC(=O)NCc1ccc(cc1)S(=O)(=O)N/N=C/c1cccc(c1)[*:1]
CC(=O)NCc1ccc(S(=O)(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 CC(=O)NC[*:1] O=[N+]([O-])c1cccc(/C=N/NS(=O)(=O)c2ccc(cc2)[*:1])c1
CC(=O)NCc1ccc(S(=O)(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 CC(=O)N[*:1] O=[N+]([O-])c1cccc(/C=N/NS(=O)(=O)c2ccc(cc2)C[*:1])c1
COC(=O)C1(NC(=O)c2ccnc(OC(C)(C)C)c2)CC1 COC(=O)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NC1(CC1)[*:1]
COC(=O)C1(NC(=O)c2ccnc(OC(C)(C)C)c2)CC1 CC(C)(C)[*:1] COC(=O)C1(CC1)NC(=O)c1ccnc(c1)O[*:1]
COC(=O)C1(NC(=O)c2ccnc(OC(C)(C)C)c2)CC1 COC(=O)C1(CC1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N[*:1]
COC(=O)C1(NC(=O)c2ccnc(OC(C)(C)C)c2)CC1 CC(C)(C)O[*:1] COC(=O)C1(CC1)NC(=O)c1ccnc(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)c1n[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1n[nH]c2ccc(cc12)[*:1]
Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NCC[*:1]
Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NCCN1CCOCC1 Clc1ccc(cc1)[*:1] Cc1n[nH]c(c1CC(=O)NCCN1CCOCC1)[*:1]
Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)N[*:1]
Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NC[*:1]
C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)n1cccn1 C[C@@H](n1cccn1)[*:1] O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[*:1]
C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)n1cccn1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[C@H](N1CCOCC1)[*:1])n1cccn1
C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)[*:1]
C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)n1cccn1 C1CN(CCO1)[*:1] C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)[*:1])n1cccn1
CC1(C)CCC(NC(=O)C[C@H](O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC1(C)CCC(CC1)NC(=O)C[C@H](O)[*:1]
C[NH2+]Cc1ccccc1OC(C)C CC(C)O[*:1] C[NH2+]Cc1ccccc1[*:1]
C[NH2+]Cc1ccccc1OC(C)C CC(C)[*:1] C[NH2+]Cc1ccccc1O[*:1]
CNC(=O)CC1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1 c1cc(cs1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)CCc1nnc(o1)[*:1]
CNC(=O)CC1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1 CNC(=O)C[*:1] O=C(CCc1nnc(o1)-c1ccsc1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1 CNC(=O)[*:1] O=C(CCc1nnc(o1)-c1ccsc1)N1CCC(CC1)C[*:1]
Cc1cc(C)c(NC(=O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(NC(=O)CNS(=O)(=O)c2ccc(cc2)[*:1])c(C)c1
C[C@H](CNC(=O)NCC#Cc1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)NCC#C[*:1])Nc1ccccc1
C[C@H](CNC(=O)NCC#Cc1ccccc1)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@H](CNC(=O)NCC#Cc1ccccc1)[*:1]
C[C@H](CNC(=O)NCC#Cc1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)NCC#Cc1ccccc1)N[*:1]
CC[C@H]1CCc2nc(NC(=O)Cc3csc(NC(=O)c4ccoc4C)n3)sc2C1 Cc1occc1C(=O)N[*:1] CC[C@H]1CCc2nc(NC(=O)Cc3csc(n3)[*:1])sc2C1
CC[C@H]1CCc2nc(NC(=O)Cc3csc(NC(=O)c4ccoc4C)n3)sc2C1 Cc1occc1[*:1] CC[C@H]1CCc2nc(NC(=O)Cc3csc(n3)NC(=O)[*:1])sc2C1
COc1ccc(C2(CNC(=O)Cc3c(C)n[nH]c3-c3ccc(Cl)cc3)CCOCC2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)Cc1c(C)n[nH]c1[*:1]
COc1ccc(C2(CNC(=O)Cc3c(C)n[nH]c3-c3ccc(Cl)cc3)CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)NCC1(CCOCC1)[*:1]
COc1ncccc1C(=O)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] COc1ncccc1C(=O)N1CCN(CC1)[*:1]
CC(C)CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)NC[*:1])c1cccs1
CC(C)CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1cccs1
CC(C)CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C c1csc(c1)[*:1] CC(C)CNC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N[*:1]
N#CCC[C@@H]1CCCCCCCCCCC1=O N#CC[*:1] O=C1CCCCCCCCCC[C@H]1C[*:1]
N#CCC[C@@H]1CCCCCCCCCCC1=O N#CCC[*:1] O=C1CCCCCCCCCC[C@H]1[*:1]
C=CCO[C@H](C)C(=O)N[C@@H](c1cccs1)C1CCCC1 c1csc(c1)[*:1] C=CCO[C@H](C)C(=O)N[C@@H](C1CCCC1)[*:1]
C=CCO[C@H](C)C(=O)N[C@@H](c1cccs1)C1CCCC1 C=CCO[*:1] C[C@H](C(=O)N[C@@H](c1cccs1)C1CCCC1)[*:1]
C=CCO[C@H](C)C(=O)N[C@@H](c1cccs1)C1CCCC1 C=CC[*:1] C[C@@H](O[*:1])C(=O)N[C@@H](c1cccs1)C1CCCC1
C=CCO[C@H](C)C(=O)N[C@@H](c1cccs1)C1CCCC1 C=CCO[C@H](C)[*:1] O=C(N[C@@H](c1cccs1)C1CCCC1)[*:1]
C=CCO[C@H](C)C(=O)N[C@@H](c1cccs1)C1CCCC1 C1CCC(C1)[*:1] C=CCO[C@H](C)C(=O)N[C@@H](c1cccs1)[*:1]
Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F CS(=O)(=O)[*:1] Cc1ccc(cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F)[*:1]
Fc1ccc(NC(=S)N(Cc2ccccc2F)C2CC2)cc1 Fc1ccc(cc1)[*:1] Fc1ccccc1CN(C(=S)N[*:1])C1CC1
Fc1ccc(NC(=S)N(Cc2ccccc2F)C2CC2)cc1 Fc1ccccc1[*:1] Fc1ccc(cc1)NC(=S)N(C[*:1])C1CC1
Fc1ccc(NC(=S)N(Cc2ccccc2F)C2CC2)cc1 C1CC1[*:1] Fc1ccc(cc1)NC(=S)N(Cc1ccccc1F)[*:1]
CCc1ccc([C@@H](C)NC(=O)N2CCN(c3ncccc3F)CC2)cc1 Fc1cccnc1[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)N1CCN(CC1)[*:1]
CCc1ccc([C@@H](C)NC(=O)N2CCN(c3ncccc3F)CC2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ncccc1F)[*:1]
CC[C@H]1CCCN(C(=O)NCC(C2CC2)C2CC2)C1 C1CC1[*:1] CC[C@H]1CCCN(C1)C(=O)NCC(C1CC1)[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@H](C)c1ccsc1 CCS(=O)(=O)C[*:1] C[C@@H](CNC(=O)N[C@H](C)[*:1])c1ccsc1
CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@H](C)c1ccsc1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])NC(=O)NC[C@H](C)c1ccsc1
CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@H](C)c1ccsc1 c1cc(cs1)[*:1] CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@H](C)[*:1]
CSc1nc(-c2ccccc2)c(NC(=O)COc2ccccc2F)s1 Fc1ccccc1[*:1] CSc1nc(-c2ccccc2)c(NC(=O)CO[*:1])s1
CSc1nc(-c2ccccc2)c(NC(=O)COc2ccccc2F)s1 c1ccc(cc1)[*:1] CSc1nc(c(NC(=O)COc2ccccc2F)s1)[*:1]
CSc1nc(-c2ccccc2)c(NC(=O)COc2ccccc2F)s1 Fc1ccccc1O[*:1] CSc1nc(-c2ccccc2)c(NC(=O)C[*:1])s1
O=C([O-])[C@@]1(Cc2ccccc2Cl)CCC[NH2+]1 O=C([O-])[*:1] Clc1ccccc1C[C@]1(CCC[NH2+]1)[*:1]
CCOC(=O)N1CCN(C(=O)c2cc3occc3n2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cc2occc2n1[*:1]
CCOC(=O)N1CCN(C(=O)c2cc3occc3n2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cc2occc2n1C[*:1]
Cc1ccc(-n2ncc([C@H](C)NC(=O)c3cccc(NS(C)(=O)=O)c3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@H](C)NC(=O)c1cccc(c1)NS(C)(=O)=O
Cc1ccc(-n2ncc([C@H](C)NC(=O)c3cccc(NS(C)(=O)=O)c3)c2C)cc1 CS(=O)(=O)N[*:1] Cc1ccc(cc1)-n1ncc(c1C)[C@H](C)NC(=O)c1cccc(c1)[*:1]
C[C@@]12CCCC[C@]1(O)[N+]([O-])=C(C(=O)c1ccccc1)N2 c1ccc(cc1)[*:1] C[C@@]12CCCC[C@]1(O)[N+]([O-])=C(N2)C(=O)[*:1]
CCc1cccc(NC(=O)C(=O)N[C@@H](Cn2cncn2)c2ccccc2)c1 c1ncn(C[*:1])n1 CCc1cccc(c1)NC(=O)C(=O)N[C@@H](c1ccccc1)[*:1]
CCc1cccc(NC(=O)C(=O)N[C@@H](Cn2cncn2)c2ccccc2)c1 c1ncn(n1)[*:1] CCc1cccc(c1)NC(=O)C(=O)N[C@@H](C[*:1])c1ccccc1
CCc1cccc(NC(=O)C(=O)N[C@@H](Cn2cncn2)c2ccccc2)c1 CCc1cccc(c1)[*:1] O=C(N[C@@H](Cn1cncn1)c1ccccc1)C(=O)N[*:1]
CCc1cccc(NC(=O)C(=O)N[C@@H](Cn2cncn2)c2ccccc2)c1 c1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)C(=O)N[C@@H](Cn1cncn1)[*:1]
C=CCNC(=O)N(C)Cc1ccc(Cl)nc1 C=CC[*:1] CN(Cc1ccc(Cl)nc1)C(=O)N[*:1]
O=C(CSc1ccncc1)O[C@H](C1CCCCC1)C(F)(F)F c1cc(ccn1)S[*:1] O=C(C[*:1])O[C@H](C1CCCCC1)C(F)(F)F
O=C(CSc1ccncc1)O[C@H](C1CCCCC1)C(F)(F)F C1CCC(CC1)[*:1] O=C(CSc1ccncc1)O[C@H](C(F)(F)F)[*:1]
O=C(CSc1ccncc1)O[C@H](C1CCCCC1)C(F)(F)F c1cc(ccn1)[*:1] O=C(CS[*:1])O[C@H](C1CCCCC1)C(F)(F)F
O=C(CSc1ccncc1)O[C@H](C1CCCCC1)C(F)(F)F FC(F)(F)[*:1] O=C(CSc1ccncc1)O[C@H](C1CCCCC1)[*:1]
COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
O=C(Cn1nnc(-c2cccs2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1csc(c1)[*:1] O=C(Cn1nnc(n1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
O=C(Cn1nnc(-c2cccs2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)-c1cccs1)N1CCN(CC1)S(=O)(=O)[*:1]
CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 Cc1ccc(o1)[*:1] CC[C@@H](CO)NC(=O)NC[C@H](N1CCOCC1)[*:1]
CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(C)o1)[*:1]
CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 CC[C@@H](CO)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)N[*:1])N1CCOCC1
CCc1ccsc1CNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 CCc1ccsc1[*:1] C[C@@H](C(=O)NC[*:1])n1nnc(n1)-c1ccccc1
CCc1ccsc1CNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCc1ccsc1CNC(=O)[C@H](C)n1nnc(n1)[*:1]
CCc1ccsc1CNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 CCc1ccsc1C[*:1] C[C@@H](C(=O)N[*:1])n1nnc(n1)-c1ccccc1
COc1ncccc1COc1cc(C)sc1C(=O)[O-] O=C([O-])[*:1] COc1ncccc1COc1cc(C)sc1[*:1]
C[C@H]1CCCN(C(=O)c2csc(C#CCO)c2)CC1 OCC#C[*:1] C[C@H]1CCCN(CC1)C(=O)c1csc(c1)[*:1]
C[NH2+]Cc1cccc(O[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] C[NH2+]Cc1cccc(c1)O[C@H]1CCC[C@H](C1)[*:1]
CCc1cc2c(=O)c(-c3cc4c(cc3C)OCCO4)c(C)oc2c(COC(C)=O)c1OC(C)=O Cc1cc2OCCOc2cc1[*:1] CCc1cc2c(=O)c(c(C)oc2c(COC(C)=O)c1OC(C)=O)[*:1]
CCc1cc2c(=O)c(-c3cc4c(cc3C)OCCO4)c(C)oc2c(COC(C)=O)c1OC(C)=O CC(=O)O[*:1] CCc1cc2c(=O)c(-c3cc4OCCOc4cc3C)c(C)oc2c(C[*:1])c1OC(C)=O
CCc1cc2c(=O)c(-c3cc4c(cc3C)OCCO4)c(C)oc2c(COC(C)=O)c1OC(C)=O CC(=O)O[*:1] CCc1cc2c(=O)c(-c3cc4OCCOc4cc3C)c(C)oc2c(COC(C)=O)c1[*:1]
CCc1cc2c(=O)c(-c3cc4c(cc3C)OCCO4)c(C)oc2c(COC(C)=O)c1OC(C)=O CC(=O)OC[*:1] CCc1cc2c(=O)c(-c3cc4OCCOc4cc3C)c(C)oc2c(c1OC(C)=O)[*:1]
CCS(=O)(=O)c1ccccc1N1CCC(NC(=O)C2CC2)CC1 O=C(N[*:1])C1CC1 CCS(=O)(=O)c1ccccc1N1CCC(CC1)[*:1]
CCS(=O)(=O)c1ccccc1N1CCC(NC(=O)C2CC2)CC1 CCS(=O)(=O)[*:1] O=C(NC1CCN(CC1)c1ccccc1[*:1])C1CC1
CCS(=O)(=O)c1ccccc1N1CCC(NC(=O)C2CC2)CC1 C1CC1[*:1] CCS(=O)(=O)c1ccccc1N1CCC(CC1)NC(=O)[*:1]
C[C@H](CN1CCOCC1)NC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] C[C@H](CN1CCOCC1)NC(=O)c1ccnc(c1)[*:1]
C[C@H](CN1CCOCC1)NC(=O)c1ccnc(OC2CCCCC2)c1 C1CN(CCO1)[*:1] C[C@H](C[*:1])NC(=O)c1ccnc(c1)OC1CCCCC1
C[C@H](CN1CCOCC1)NC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] C[C@H](CN1CCOCC1)NC(=O)c1ccnc(c1)O[*:1]
C[C@H](CN1CCOCC1)NC(=O)c1ccnc(OC2CCCCC2)c1 C1CN(CCO1)C[*:1] C[C@H](NC(=O)c1ccnc(c1)OC1CCCCC1)[*:1]
Cc1ccc(NC(=O)Cc2nc(Cc3ccc(Cl)cc3)n[nH]2)cc1F Cc1ccc(cc1F)[*:1] O=C(Cc1nc(Cc2ccc(Cl)cc2)n[nH]1)N[*:1]
Cc1ccc(NC(=O)Cc2nc(Cc3ccc(Cl)cc3)n[nH]2)cc1F Clc1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)Cc1nc(C[*:1])n[nH]1
Cc1ccc(NC(=O)Cc2nc(Cc3ccc(Cl)cc3)n[nH]2)cc1F Clc1ccc(cc1)C[*:1] Cc1ccc(cc1F)NC(=O)Cc1nc(n[nH]1)[*:1]
Cc1cc(C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)no1 Cc1cc(no1)[*:1] C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)[*:1]
COCCN(Cc1ccccn1)C(=O)N[C@H]1CC=CCC1 COC[*:1] O=C(N[C@H]1CC=CCC1)N(Cc1ccccn1)C[*:1]
COCCN(Cc1ccccn1)C(=O)N[C@H]1CC=CCC1 COCC[*:1] O=C(N[C@H]1CC=CCC1)N(Cc1ccccn1)[*:1]
COCCN(Cc1ccccn1)C(=O)N[C@H]1CC=CCC1 c1ccc(nc1)[*:1] COCCN(C[*:1])C(=O)N[C@H]1CC=CCC1
COCCN(Cc1ccccn1)C(=O)N[C@H]1CC=CCC1 c1ccc(C[*:1])nc1 COCCN(C(=O)N[C@H]1CC=CCC1)[*:1]
CC(C)CC[NH2+][C@@H]1CSCC(C)(C)C1 CC(C)C[*:1] CC1(C)CSC[C@H](C1)[NH2+]C[*:1]
CC(C)CC[NH2+][C@@H]1CSCC(C)(C)C1 CC(C)[*:1] CC1(C)CSC[C@H](C1)[NH2+]CC[*:1]
Cc1nnc(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)s1 Cc1nnc(S[*:1])s1 C[C@@H](NC(=O)[C@@H](C)[*:1])c1cccc2ccccc12
Cc1nnc(S[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)s1 Cc1nnc(s1)[*:1] C[C@@H](S[*:1])C(=O)N[C@H](C)c1cccc2ccccc12
Cc1cscc1C(=O)NC[C@H](O)C1CC1 O[C@H](C1CC1)[*:1] Cc1cscc1C(=O)NC[*:1]
Cc1cscc1C(=O)NC[C@H](O)C1CC1 C1CC1[*:1] Cc1cscc1C(=O)NC[C@H](O)[*:1]
C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccc(F)cc1
C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1]
C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)N[*:1])c1ccc(F)cc1
COc1cccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(C)cc3)CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)CO[*:1]
COc1cccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(C)cc3)CC2)c1 COc1cccc(c1)OC[*:1] Cc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)[*:1]
COc1cccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(C)cc3)CC2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)OCC(=O)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
COc1cccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(C)cc3)CC2)c1 COc1cccc(c1)O[*:1] Cc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)C[*:1]
CNC(=O)c1cc(OC)ccc1NC(=O)CCOc1ccccc1Cl CNC(=O)[*:1] COc1ccc(NC(=O)CCOc2ccccc2Cl)c(c1)[*:1]
CNC(=O)c1cc(OC)ccc1NC(=O)CCOc1ccccc1Cl Clc1ccccc1O[*:1] CNC(=O)c1cc(ccc1NC(=O)CC[*:1])OC
CNC(=O)c1cc(OC)ccc1NC(=O)CCOc1ccccc1Cl Clc1ccccc1[*:1] CNC(=O)c1cc(ccc1NC(=O)CCO[*:1])OC
CCn1/c(=N/C(=O)CC2(O)CCCC2)[nH]c2cc(Br)ccc21 OC1(CCCC1)C[*:1] CCn1/c(=N/C(=O)[*:1])[nH]c2cc(Br)ccc21
CCn1/c(=N/C(=O)CC2(O)CCCC2)[nH]c2cc(Br)ccc21 OC1(CCCC1)[*:1] CCn1/c(=N/C(=O)C[*:1])[nH]c2cc(Br)ccc21
Cc1cc(OCCCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])OCCCC[NH+]1CCN(C)CC1
c1csc(CCC[NH2+]Cc2cnc(C3CCC3)s2)n1 c1csc(C[*:1])n1 c1nc(sc1C[NH2+]CC[*:1])C1CCC1
c1csc(CCC[NH2+]Cc2cnc(C3CCC3)s2)n1 C1CC(C1)[*:1] c1csc(CCC[NH2+]Cc2cnc(s2)[*:1])n1
c1csc(CCC[NH2+]Cc2cnc(C3CCC3)s2)n1 c1csc(n1)[*:1] c1nc(sc1C[NH2+]CCC[*:1])C1CCC1
COCc1ccc(C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1 COC[*:1] Cn1ncc2-c3nc(NC(=O)c4ccc(cc4)[*:1])sc3CCc21
CN(Cc1ccc(Br)o1)C(=O)NC[C@@H]1CCOC1 C1C[C@H](CO1)C[*:1] CN(Cc1ccc(Br)o1)C(=O)N[*:1]
CN(Cc1ccc(Br)o1)C(=O)NC[C@@H]1CCOC1 Brc1ccc(o1)[*:1] CN(C[*:1])C(=O)NC[C@@H]1CCOC1
CN(Cc1ccc(Br)o1)C(=O)NC[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CN(Cc1ccc(Br)o1)C(=O)NC[*:1]
COC(=O)C1(N(C)C(=O)c2csc([C@H]3CCCO3)n2)CCCCC1 COC(=O)[*:1] CN(C(=O)c1csc(n1)[C@H]1CCCO1)C1(CCCCC1)[*:1]
COC(=O)C1(N(C)C(=O)c2csc([C@H]3CCCO3)n2)CCCCC1 C1CO[C@H](C1)[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)c1csc(n1)[*:1]
C[C@H]1OCC[C@H]1C(=O)Nc1cccc(-n2cnnc2)c1 c1nncn1[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1cccc(c1)[*:1]
CCc1nsc(N(C)CC(=O)Nc2ccccc2)n1 c1ccc(cc1)[*:1] CCc1nsc(n1)N(C)CC(=O)N[*:1]
CCC[C@@H](C)[C@H](O)C1(C#N)CCC(C)(C)CC1 CCC[C@@H](C)[*:1] CC1(C)CCC(C#N)(CC1)[C@@H](O)[*:1]
CCC[C@@H](C)[C@H](O)C1(C#N)CCC(C)(C)CC1 CCC[*:1] C[C@@H]([C@H](O)C1(C#N)CCC(C)(C)CC1)[*:1]
Cc1ccccc1COC1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 Cc1ccccc1[*:1] O=C(/C=C/c1ccc2OCOc2c1)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 Cc1ccccc1C[*:1] O=C(/C=C/c1ccc2OCOc2c1)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)C=C[*:1]
Cc1ccccc1COC1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 Cc1ccccc1CO[*:1] O=C(/C=C/c1ccc2OCOc2c1)N1CCC(CC1)[*:1]
C[C@H]1CC(=O)N=C(SC(C(N)=O)C(N)=O)N1 NC(=O)[*:1] C[C@H]1CC(=O)N=C(N1)SC(C(N)=O)[*:1]
C[C@@H](N1CCN(Cc2cccc(OCc3ccccn3)c2)CC1)C(F)(F)F c1ccc(nc1)[*:1] C[C@@H](N1CCN(CC1)Cc1cccc(c1)OC[*:1])C(F)(F)F
C[C@@H](N1CCN(Cc2cccc(OCc3ccccn3)c2)CC1)C(F)(F)F c1ccc(CO[*:1])nc1 C[C@@H](N1CCN(CC1)Cc1cccc(c1)[*:1])C(F)(F)F
C[C@@H](N1CCN(Cc2cccc(OCc3ccccn3)c2)CC1)C(F)(F)F FC(F)(F)[*:1] C[C@@H](N1CCN(CC1)Cc1cccc(c1)OCc1ccccn1)[*:1]
C[C@@H](N1CCN(Cc2cccc(OCc3ccccn3)c2)CC1)C(F)(F)F c1ccc(C[*:1])nc1 C[C@@H](N1CCN(CC1)Cc1cccc(c1)O[*:1])C(F)(F)F
CCN(Cc1cccc(C)n1)[C@@H](C[NH3+])C(C)(C)C CC(C)(C)[*:1] CCN(Cc1cccc(C)n1)[C@@H](C[NH3+])[*:1]
O=C(NCCCn1ccc2ccccc21)c1cccnc1N1CCCC1 C1CCN(C1)[*:1] O=C(NCCCn1ccc2ccccc21)c1cccnc1[*:1]
CCOC(=O)CC[C@@H](C)NC(=O)c1cc2cc(F)ccc2[nH]1 CCOC(=O)CC[*:1] C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)[*:1]
CCOC(=O)CC[C@@H](C)NC(=O)c1cc2cc(F)ccc2[nH]1 CCOC(=O)[*:1] C[C@H](CC[*:1])NC(=O)c1cc2cc(F)ccc2[nH]1
CCOC(=O)CC[C@@H](C)NC(=O)c1cc2cc(F)ccc2[nH]1 CCOC(=O)C[*:1] C[C@H](C[*:1])NC(=O)c1cc2cc(F)ccc2[nH]1
CC(=O)c1ccc(NC(=O)[C@H](C)SCCC(C)C)cc1 CC(C)CCS[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](C)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)SCCC(C)C)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](C)SCC[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)SCCC(C)C)cc1 CC(C)CC[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](C)S[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)SCCC(C)C)cc1 CC(=O)[*:1] CC(C)CCS[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)SCCC(C)C)cc1 CC(C)C[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](C)SC[*:1]
COCCN1C(=O)NC(=N)[C@]12CCc1ccc(OC)cc12 COC[*:1] COc1ccc2CC[C@]3(C(=N)NC(=O)N3C[*:1])c2c1
COCCN1C(=O)NC(=N)[C@]12CCc1ccc(OC)cc12 COCC[*:1] COc1ccc2CC[C@]3(C(=N)NC(=O)N3[*:1])c2c1
Cc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH+]ccc4sccc34)C2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1[nH+]ccc2sccc12
Cc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH+]ccc4sccc34)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1[nH+]ccc2sccc12
O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccc(Cl)cc1 O=c1[nH]nc([nH]1)[*:1] O=C(NCCC[*:1])c1ccc(Cl)cc1
C[C@]1(c2ccc(F)cc2F)NC(=O)N(CCOc2ccccc2)C1=O Fc1ccc(c(F)c1)[*:1] C[C@@]1(NC(=O)N(CCOc2ccccc2)C1=O)[*:1]
C[C@]1(c2ccc(F)cc2F)NC(=O)N(CCOc2ccccc2)C1=O c1ccc(cc1)OC[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1F
C[C@]1(c2ccc(F)cc2F)NC(=O)N(CCOc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CCO[*:1])C1=O)c1ccc(F)cc1F
C[C@]1(c2ccc(F)cc2F)NC(=O)N(CCOc2ccccc2)C1=O c1ccc(cc1)O[*:1] C[C@@]1(NC(=O)N(CC[*:1])C1=O)c1ccc(F)cc1F
Cc1ncccc1OC1(C(=O)NCc2cc(C(C)(C)C)[nH]n2)CC[NH2+]CC1 CC(C)(C)c1cc(n[nH]1)[*:1] Cc1ncccc1OC1(CC[NH2+]CC1)C(=O)NC[*:1]
Cc1ncccc1OC1(C(=O)NCc2cc(C(C)(C)C)[nH]n2)CC[NH2+]CC1 Cc1ncccc1O[*:1] CC(C)(C)c1cc(CNC(=O)C2(CC[NH2+]CC2)[*:1])n[nH]1
Cc1ncccc1OC1(C(=O)NCc2cc(C(C)(C)C)[nH]n2)CC[NH2+]CC1 CC(C)(C)[*:1] Cc1ncccc1OC1(CC[NH2+]CC1)C(=O)NCc1cc([nH]n1)[*:1]
Cc1ncccc1OC1(C(=O)NCc2cc(C(C)(C)C)[nH]n2)CC[NH2+]CC1 Cc1ncccc1[*:1] CC(C)(C)c1cc(CNC(=O)C2(CC[NH2+]CC2)O[*:1])n[nH]1
Cc1noc(C)c1N(C)CC(=O)NCC(=O)N1CCCC1 Cc1noc(C)c1[*:1] CN(CC(=O)NCC(=O)N1CCCC1)[*:1]
Cc1noc(C)c1N(C)CC(=O)NCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1noc(C)c1N(C)CC(=O)NC[*:1]
[NH3+][C@H](CSc1ccccc1Cl)[C@@H]1CCCc2cccnc21 Clc1ccccc1[*:1] [NH3+][C@H](CS[*:1])[C@@H]1CCCc2cccnc21
Cc1ccc(-c2nc3ccccc3n2CC(N)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1nc2ccccc2n1C[*:1]
Cc1ccc(-c2nc3ccccc3n2CC(N)=O)cc1 NC(=O)C[*:1] Cc1ccc(cc1)-c1nc2ccccc2n1[*:1]
CCOCC[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 CCO[*:1] C(C[*:1])[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1
CCOCC[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 CCOCC[*:1] C1C[C@@]2(CO1)C[C@@H](CCO2)[NH2+][*:1]
CCOCC[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 CCOC[*:1] C1C[C@@]2(CO1)C[C@@H](CCO2)[NH2+]C[*:1]
O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCN(c2ncccc2F)CC1 Fc1cccc(c1F)[*:1] O=C([C@@H]1C[C@H]1[*:1])N1CCN(CC1)c1ncccc1F
O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCN(CC1)[*:1]
N#Cc1c(Cn2cc(I)cn2)cn2ccccc12 Ic1cnn(c1)[*:1] N#Cc1c(cn2ccccc12)C[*:1]
CCCn1c(C)nnc1S[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C CCC[*:1] Cc1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1[*:1]
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3Cl)c2)on1 Cc1cc(on1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N(Cc1ccccc1)c1ccccc1Cl
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3Cl)c2)on1 Cc1cc(NC(=O)[*:1])on1 O=S(=O)(c1cccc(c1)[*:1])N(Cc1ccccc1)c1ccccc1Cl
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3Cl)c2)on1 Clc1ccccc1[*:1] Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N(Cc2ccccc2)[*:1])on1
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3Cl)c2)on1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N(c2ccccc2Cl)[*:1])on1
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3Cl)c2)on1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N(C[*:1])c2ccccc2Cl)on1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)c2nc(C)cs2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)N(c2nc(C)cs2)[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)c2nc(C)cs2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)N(c2ccccc2)c2nc(C)cs2)C1=O)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)c2nc(C)cs2)C1=O Cc1csc(n1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)N(c2ccccc2)[*:1])C1=O)c1ccccc1
Cc1ccc(NC(=O)Cn2nnnc2CCCc2ccccc2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(Cn1nnnc1CCCc1ccccc1)N[*:1]
Cc1ccc(NC(=O)Cn2nnnc2CCCc2ccccc2)c(Cl)c1 c1ccc(cc1)CC[*:1] Cc1ccc(NC(=O)Cn2nnnc2C[*:1])c(Cl)c1
Cc1ccc(NC(=O)Cn2nnnc2CCCc2ccccc2)c(Cl)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)Cn2nnnc2CC[*:1])c(Cl)c1
Cc1ccc(NC(=O)Cn2nnnc2CCCc2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)Cn2nnnc2CCC[*:1])c(Cl)c1
Cc1nn(C)c(=O)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1C O=[N+]([O-])[*:1] Cc1nn(C)c(=O)c(C(=O)NCc2ccc(cc2)[*:1])c1C
Cc1ccccc1Nc1nc2nccc(-c3ccsc3)c2c(=O)[nH]1 Cc1ccccc1[*:1] O=c1[nH]c(nc2nccc(-c3ccsc3)c12)N[*:1]
Cc1ccccc1Nc1nc2nccc(-c3ccsc3)c2c(=O)[nH]1 Cc1ccccc1N[*:1] O=c1[nH]c(nc2nccc(-c3ccsc3)c12)[*:1]
Cc1ccccc1Nc1nc2nccc(-c3ccsc3)c2c(=O)[nH]1 c1cc(cs1)[*:1] Cc1ccccc1Nc1nc2nccc(c2c(=O)[nH]1)[*:1]
COC(=O)c1cc(CNC(=O)c2ccc(SC)nc2)oc1C COC(=O)[*:1] CSc1ccc(cn1)C(=O)NCc1cc(c(C)o1)[*:1]
O=C(N/N=C/c1ccco1)c1ccc2[nH]cnc2c1 c1coc(c1)[*:1] O=C(NN=C[*:1])c1ccc2[nH]cnc2c1
O=C(CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CSc1nnc2c3cc(nn3ccn12)-c1ccc(F)cc1)N[*:1]
O=C(CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)Nc1ccc(F)cc1F Fc1ccc(cc1)[*:1] O=C(CSc1nnc2c3cc(nn3ccn12)[*:1])Nc1ccc(F)cc1F
C=CCNC(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 C=CC[*:1] O=C(Nc1ccc(cc1)CN1C(=O)Cc2ccc(Cl)cc21)N[*:1]
C=CCNC(=O)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 C=CCNC(=O)N[*:1] O=C1Cc2ccc(Cl)cc2N1Cc1ccc(cc1)[*:1]
ClC[C@@H]1CCCO[C@@H]1c1cccc(C2CC2)c1 C1CC1[*:1] ClC[C@@H]1CCCO[C@@H]1c1cccc(c1)[*:1]
O=c1c2ccccc2nc(SCc2cc(F)cc3c2OCOC3)n1-c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=c1c2ccccc2nc(SCc2cc(F)cc3COCOc32)n1[*:1]
COc1ccc(CN(C#N)c2nc(SC)nc(N(C)C)n2)cc1 CN(C)[*:1] COc1ccc(cc1)CN(C#N)c1nc(nc(n1)[*:1])SC
CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1 CCOc1ccccc1[*:1] Cc1ccc2nc(sc2c1)-n1nc(C)c2c1NC(=O)C[C@H]2[*:1]
CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1 CCO[*:1] Cc1ccc2nc(sc2c1)-n1nc(C)c2c1NC(=O)C[C@H]2c1ccccc1[*:1]
CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1 Cc1ccc2nc(sc2c1)[*:1] CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2[*:1]
CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 CCNC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
CCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1ccccc1OC)[C@@H]2OC COc1ccccc1[*:1] CCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](NC(=O)[*:1])[C@@H]2OC
O=C(NCc1cc2ccccc2o1)c1ccccc1OC(F)F FC(F)[*:1] O=C(NCc1cc2ccccc2o1)c1ccccc1O[*:1]
O=C(NCc1cc2ccccc2o1)c1ccccc1OC(F)F FC(F)O[*:1] O=C(NCc1cc2ccccc2o1)c1ccccc1[*:1]
Cn1cc(CCOC(=O)c2cccnc2Cl)cn1 Cn1cc(cn1)[*:1] O=C(OCC[*:1])c1cccnc1Cl
Cc1nc2ccccn2c1-c1ccnn1C(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1nc2ccccn2c1-c1ccnn1C(=O)c1ccc(cc1)[*:1]
CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 Cc1ccccc1C(=O)[*:1] CO[C@@H]1C[C@@](O)([C@H](O1)[C@@H](O)C(=O)c1ccccc1C)[*:1]
CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 Cc1ccccc1[*:1] CO[C@@H]1C[C@@](O)(C(=O)[*:1])[C@H](O1)[C@@H](O)C(=O)c1ccccc1C
CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 Cc1ccccc1[*:1] CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@H](O1)[C@@H](O)C(=O)[*:1]
CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 Cc1ccccc1C(=O)[*:1] CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@H](O1)[C@@H](O)[*:1]
CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(cc1)NC(=O)[*:1]
CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(cc1)[*:1]
Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCN(C1=O)[*:1]
COc1ccc(OC(F)F)c(C=O)c1 FC(F)[*:1] COc1ccc(O[*:1])c(C=O)c1
COc1ccc(OC(F)F)c(C=O)c1 FC(F)O[*:1] COc1ccc(c(C=O)c1)[*:1]
O[C@H](COc1ccccc1)CSc1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] O[C@H](COc1ccccc1)CSc1ccc(cn1)[*:1]
O[C@H](COc1ccccc1)CSc1ccc(C(F)(F)F)cn1 c1ccc(cc1)[*:1] O[C@H](CO[*:1])CSc1ccc(cn1)C(F)(F)F
O[C@H](COc1ccccc1)CSc1ccc(C(F)(F)F)cn1 c1ccc(cc1)O[*:1] O[C@@H](CSc1ccc(cn1)C(F)(F)F)C[*:1]
C[C@H]1COC[C@H](C)N1C(=O)CSc1nnnn1C1CCCC1 C1CCC(C1)[*:1] C[C@H]1COC[C@H](C)N1C(=O)CSc1nnnn1[*:1]
COC(=O)c1cccc(NC(C)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 COC(=O)[*:1] CC(Nc1cccc(c1)[*:1])=C1C(=O)N(C)C(=O)N(C)C1=O
CCOc1ccc(C(=O)NNC(=O)C2CCC2)cc1OC C1CC(C1)[*:1] CCOc1ccc(cc1OC)C(=O)NNC(=O)[*:1]
CCOc1ccc(C(=O)NNC(=O)C2CCC2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)NNC(=O)C1CCC1
Cc1c(Cl)cccc1-n1nnc(-c2nc(-c3ccc(Cl)cc3)no2)c1N Clc1ccc(cc1)[*:1] Cc1c(Cl)cccc1-n1nnc(-c2nc(no2)[*:1])c1N
Cc1c(Cl)cccc1-n1nnc(-c2nc(-c3ccc(Cl)cc3)no2)c1N Cc1c(Cl)cccc1[*:1] Nc1c(nnn1[*:1])-c1nc(no1)-c1ccc(Cl)cc1
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cncc(Br)c2)cc1F Brc1cncc(c1)[*:1] Cc1ccc(cc1F)NC(=O)[C@@H](C)OC(=O)[*:1]
Cc1ncccc1CN1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 CC(C)(C)OC(=O)N[*:1] Cc1ncccc1CN1CCO[C@@H](C1)[C@@H](C)[*:1]
Cc1ncccc1CN1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1ncccc1CN1CCO[C@@H](C1)[C@@H](C)NC(=O)O[*:1]
Cc1ncccc1CN1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 Cc1ncccc1C[*:1] C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CCO1)[*:1]
Cc1ncccc1CN1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 Cc1ncccc1[*:1] C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CCO1)C[*:1]
C[NH2+][C@H]1CCC[C@@H]1c1nc([C@@H]2CSCCO2)no1 C1CSC[C@H](O1)[*:1] C[NH2+][C@H]1CCC[C@@H]1c1nc(no1)[*:1]
COc1cc(/C=C2\S/C(=N/N=C/c3ccco3)NC2=O)ccc1O c1coc(c1)[*:1] COc1cc(/C=C2\S/C(=N/N=C[*:1])NC2=O)ccc1O
CCCCC[C@@H](C)NC(=O)Nc1ccccc1 CCCC[*:1] C[C@H](C[*:1])NC(=O)Nc1ccccc1
CCCCC[C@@H](C)NC(=O)Nc1ccccc1 CCCCC[*:1] C[C@@H](NC(=O)Nc1ccccc1)[*:1]
CCCCC[C@@H](C)NC(=O)Nc1ccccc1 CCC[*:1] C[C@H](CC[*:1])NC(=O)Nc1ccccc1
Cn1cccc1C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] Cn1cccc1C(=O)N[C@](C)(C(F)(F)F)[*:1]
Cn1cccc1C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] Cn1cccc1C(=O)N[C@](C)(C(=O)[O-])[*:1]
Cn1cccc1C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F Cn1cccc1[*:1] C[C@@](NC(=O)[*:1])(C(=O)[O-])C(F)(F)F
COC(=O)CCCNC(=O)c1ccc(-n2cnc3ccccc32)cc1 COC(=O)C[*:1] O=C(NCC[*:1])c1ccc(cc1)-n1cnc2ccccc21
COC(=O)CCCNC(=O)c1ccc(-n2cnc3ccccc32)cc1 COC(=O)CCC[*:1] O=C(N[*:1])c1ccc(cc1)-n1cnc2ccccc21
COC(=O)CCCNC(=O)c1ccc(-n2cnc3ccccc32)cc1 COC(=O)[*:1] O=C(NCCC[*:1])c1ccc(cc1)-n1cnc2ccccc21
COC(=O)CCCNC(=O)c1ccc(-n2cnc3ccccc32)cc1 COC(=O)CC[*:1] O=C(NC[*:1])c1ccc(cc1)-n1cnc2ccccc21
CC(C)[NH2+]Cc1c[nH]nc1-c1ccc(C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)-c1n[nH]cc1C[NH2+][*:1]
CC(C)[NH2+]Cc1c[nH]nc1-c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)[NH2+]Cc1c[nH]nc1-c1ccc(cc1)[*:1]
CC(C)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 CC(C)[*:1] C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)[*:1]
CC(C)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)[C@H](C)NC(=O)CCNS(=O)(=O)[*:1]
CC(C)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 CC(C)[C@H](C)[*:1] O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N[*:1]
COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C COc1ccccc1[*:1] CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C2=O)[C@@H](Cc1ccccc1)C(=O)N[*:1]
COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C c1ccc(cc1)C[*:1] COc1ccccc1NC(=O)[C@H](N1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C)[*:1]
COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C c1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@H](C[*:1])N1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C
CC(C)COc1ccc(C2(C#N)CC[N+](C)(C)CC2)cc1 CC(C)C[*:1] C[N+]1(C)CCC(C#N)(CC1)c1ccc(cc1)O[*:1]
CC(C)COc1ccc(C2(C#N)CC[N+](C)(C)CC2)cc1 CC(C)CO[*:1] C[N+]1(C)CCC(C#N)(CC1)c1ccc(cc1)[*:1]
CC(C)COc1ccc(C2(C#N)CC[N+](C)(C)CC2)cc1 CC(C)[*:1] C[N+]1(C)CCC(C#N)(CC1)c1ccc(cc1)OC[*:1]
CC(=O)N[C@H](C(=O)N1CCO[C@H](c2nc(C)n[nH]2)C1)C1CCCC1 CC(=O)N[*:1] Cc1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)[C@H](C1CCCC1)[*:1]
CC(=O)N[C@H](C(=O)N1CCO[C@H](c2nc(C)n[nH]2)C1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@H](C(=O)N1CCO[C@@H](C1)c1nc(C)n[nH]1)[*:1]
CC(=O)N[C@H](C(=O)N1CCO[C@H](c2nc(C)n[nH]2)C1)C1CCCC1 Cc1n[nH]c(n1)[*:1] CC(=O)N[C@H](C(=O)N1CCO[C@H](C1)[*:1])C1CCCC1
Cn1c(=O)oc2cc(NC(=O)c3ccccc3Oc3cccnc3)ccc21 c1cncc(c1)O[*:1] Cn1c(=O)oc2cc(ccc21)NC(=O)c1ccccc1[*:1]
Cn1c(=O)oc2cc(NC(=O)c3ccccc3Oc3cccnc3)ccc21 c1cncc(c1)[*:1] Cn1c(=O)oc2cc(ccc21)NC(=O)c1ccccc1O[*:1]
Cc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3c(C)nc4ncnn4c3C)c2)cc1 Cc1ccc(cc1)C(=O)N[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)NCc1cccc(c1)[*:1]
Cc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3c(C)nc4ncnn4c3C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)NCc1cccc(c1)NC(=O)[*:1]
COc1ccccc1[C@H]1CCN(S(=O)(=O)CCC2CC2)C1 C1CC1[*:1] COc1ccccc1[C@H]1CCN(C1)S(=O)(=O)CC[*:1]
COc1ccccc1[C@H]1CCN(S(=O)(=O)CCC2CC2)C1 C1CC1C[*:1] COc1ccccc1[C@H]1CCN(C1)S(=O)(=O)C[*:1]
COc1ccccc1[C@H]1CCN(S(=O)(=O)CCC2CC2)C1 C1CC1CC[*:1] COc1ccccc1[C@H]1CCN(C1)S(=O)(=O)[*:1]
CCOc1ccc(/C=C2\N=C(c3ccccc3[N+](=O)[O-])OC2=O)cc1 O=[N+]([O-])[*:1] CCOc1ccc(/C=C2\N=C(OC2=O)c2ccccc2[*:1])cc1
CCOc1ccc(/C=C2\N=C(c3ccccc3[N+](=O)[O-])OC2=O)cc1 CCO[*:1] O=C1OC(=N/C1=C\c1ccc(cc1)[*:1])c1ccccc1[N+](=O)[O-]
CCOc1cc(F)ccc1NC(=O)c1cc(Cl)sc1Cl CCO[*:1] O=C(Nc1ccc(F)cc1[*:1])c1cc(Cl)sc1Cl
C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](C)NC(=O)NCc2cccnc2)C1 c1cncc(c1)[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C[C@@H](C)NC(=O)NC[*:1]
C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](C)NC(=O)NCc2cccnc2)C1 c1cncc(c1)C[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C[C@@H](C)NC(=O)N[*:1]
CC(C)Cc1ncc(C[NH+](C)Cc2nnc(C3CC3)n2C)s1 CC(C)C[*:1] Cn1c(C[NH+](C)Cc2cnc(s2)[*:1])nnc1C1CC1
CC(C)Cc1ncc(C[NH+](C)Cc2nnc(C3CC3)n2C)s1 CC(C)[*:1] Cn1c(C[NH+](C)Cc2cnc(C[*:1])s2)nnc1C1CC1
CC(C)Cc1ncc(C[NH+](C)Cc2nnc(C3CC3)n2C)s1 C1CC1[*:1] CC(C)Cc1ncc(C[NH+](C)Cc2nnc(n2C)[*:1])s1
C[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)CC1 Clc1ccc(c(Cl)c1)[*:1] C[NH+]1CCN(CC1)C(=O)c1cc(nc2ccccc12)[*:1]
CCc1cnc(CN(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 CCc1cnc(C[*:1])s1 COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N(C)[*:1]
CCc1cnc(CN(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 CCc1cnc(s1)[*:1] COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N(C)C[*:1]
CCc1cnc(CN(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 COC(=O)[*:1] CCc1cnc(CN(C)C(=O)c2cc(cc(c2)[*:1])[N+](=O)[O-])s1
CCc1cnc(CN(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] CCc1cnc(CN(C)C(=O)c2cc(cc(c2)[*:1])C(=O)OC)s1
COCC[C@@H](C)C(=O)NCc1cccc(C(N)=O)c1 COCC[C@@H](C)[*:1] NC(=O)c1cccc(c1)CNC(=O)[*:1]
COCC[C@@H](C)C(=O)NCc1cccc(C(N)=O)c1 COCC[*:1] C[C@@H](C(=O)NCc1cccc(c1)C(N)=O)[*:1]
COCC[C@@H](C)C(=O)NCc1cccc(C(N)=O)c1 COC[*:1] C[C@H](C[*:1])C(=O)NCc1cccc(c1)C(N)=O
COCC[C@@H](C)C(=O)NCc1cccc(C(N)=O)c1 NC(=O)[*:1] COCC[C@@H](C)C(=O)NCc1cccc(c1)[*:1]
O=C(NCCOc1ccc(Cl)cn1)c1c(O)cccc1O Clc1ccc(nc1)[*:1] O=C(NCCO[*:1])c1c(O)cccc1O
CN(Cc1cnn(C)c1)C(=O)CNc1ccccc1C(N)=O NC(=O)[*:1] CN(Cc1cnn(C)c1)C(=O)CNc1ccccc1[*:1]
CN(Cc1cnn(C)c1)C(=O)CNc1ccccc1C(N)=O Cn1cc(cn1)C[*:1] CN(C(=O)CNc1ccccc1C(N)=O)[*:1]
CN(Cc1cnn(C)c1)C(=O)CNc1ccccc1C(N)=O Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)CNc1ccccc1C(N)=O
COc1cccc(C(=O)c2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] COc1cccc(n1)C(=O)c1ccccc1[*:1]
O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(C[*:1])n1
O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2ccc(Cl)cc2)n1 Clc1ccc(cc1)C[*:1] O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(n1)[*:1]
C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1)Sc1ccccc1 c1ccc(cc1)S[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NC[C@@H](C)[*:1]
C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1C)S[*:1]
CCCCn1c(=O)n(C)c(=O)c2c1nnn2CC(=O)Nc1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CCCCn1c(=O)n(C)c(=O)c2c1nnn2CC(=O)N[*:1]
CCCCn1c(=O)n(C)c(=O)c2c1nnn2CC(=O)Nc1ccc(C)c(C)c1 CCC[*:1] Cc1ccc(cc1C)NC(=O)Cn1nnc2c1c(=O)n(C)c(=O)n2C[*:1]
CCCCn1c(=O)n(C)c(=O)c2c1nnn2CC(=O)Nc1ccc(C)c(C)c1 CCCC[*:1] Cc1ccc(cc1C)NC(=O)Cn1nnc2c1c(=O)n(C)c(=O)n2[*:1]
Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cn1C Cc1ccccc1[*:1] Cn1cc(cc1C(=O)N[*:1])S(=O)(=O)N1CCCCCC1
CC/[NH+]=C(/NCc1cccc(C(N)=O)c1)N[C@@H]1C[C@@H]1C NC(=O)[*:1] CC/[NH+]=C(/NCc1cccc(c1)[*:1])N[C@@H]1C[C@@H]1C
Cc1ccc2nc(SCC(=O)Nc3nccs3)c(C#N)cc2c1 c1csc(n1)[*:1] Cc1ccc2nc(SCC(=O)N[*:1])c(C#N)cc2c1
Clc1cc(N2CCC[C@H](OCc3cccnc3)C2)nc2[nH]ccc12 c1cncc(c1)[*:1] Clc1cc(nc2[nH]ccc12)N1CCC[C@@H](C1)OC[*:1]
Clc1cc(N2CCC[C@H](OCc3cccnc3)C2)nc2[nH]ccc12 c1cncc(c1)C[*:1] Clc1cc(nc2[nH]ccc12)N1CCC[C@@H](C1)O[*:1]
Clc1cc(N2CCC[C@H](OCc3cccnc3)C2)nc2[nH]ccc12 c1cncc(c1)CO[*:1] Clc1cc(nc2[nH]ccc12)N1CCC[C@H](C1)[*:1]
COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)s1 COC(=O)[*:1] Cc1ccc(s1)S(=O)(=O)N(C)c1ccccc1[*:1]
COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)s1 Cc1ccc(s1)[*:1] COC(=O)c1ccccc1N(C)S(=O)(=O)[*:1]
Cc1cc(NC(=O)C(C)(C)C)sc1/C([O-])=C(/C#N)C(=O)NC(C)C CC(C)(C)C(=O)N[*:1] Cc1cc(sc1/C([O-])=C(/C#N)C(=O)NC(C)C)[*:1]
Cc1cc(NC(=O)C(C)(C)C)sc1/C([O-])=C(/C#N)C(=O)NC(C)C CC(C)(C)[*:1] Cc1cc(NC(=O)[*:1])sc1/C([O-])=C(/C#N)C(=O)NC(C)C
Cc1cc(NC(=O)C(C)(C)C)sc1/C([O-])=C(/C#N)C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1cc(NC(=O)C(C)(C)C)sc1C([O-])=C(C#N)[*:1]
Cc1cc(NC(=O)C(C)(C)C)sc1/C([O-])=C(/C#N)C(=O)NC(C)C CC(C)[*:1] Cc1cc(NC(=O)C(C)(C)C)sc1/C([O-])=C(/C#N)C(=O)N[*:1]
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(o1)[*:1]
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])o1 Clc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)c1ccc(o1)[N+](=O)[O-])[*:1]
CC(=O)[C@H](C#N)c1cccc(Cl)c1 CC(=O)[*:1] N#C[C@H](c1cccc(Cl)c1)[*:1]
Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C FC(F)(F)[*:1] Cc1nc(ccc1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)[*:1]
COc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)c4cccc(N5CCNC5=O)c4)CC[C@@H]32)cc1 COc1ccc(cc1)CC[*:1] O=C(c1cccc(c1)N1CCNC1=O)N1CC[C@H]2[C@H](CCC(=O)N2[*:1])C1
COc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)c4cccc(N5CCNC5=O)c4)CC[C@@H]32)cc1 COc1ccc(cc1)C[*:1] O=C(c1cccc(c1)N1CCNC1=O)N1CC[C@H]2[C@H](CCC(=O)N2C[*:1])C1
COc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)c4cccc(N5CCNC5=O)c4)CC[C@@H]32)cc1 O=C1NCCN1[*:1] COc1ccc(cc1)CCN1C(=O)CC[C@@H]2CN(CC[C@@H]21)C(=O)c1cccc(c1)[*:1]
COc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)c4cccc(N5CCNC5=O)c4)CC[C@@H]32)cc1 COc1ccc(cc1)[*:1] O=C(c1cccc(c1)N1CCNC1=O)N1CC[C@H]2[C@H](CCC(=O)N2CC[*:1])C1
O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH+]1CCCCCC1 O=[N+]([O-])[*:1] O=S(=O)(NCC[NH+]1CCCCCC1)c1ccccc1[*:1]
Cc1ccccc1-c1nnc(SCCC(=O)NC(C)(C)C)o1 CC(C)(C)NC(=O)[*:1] Cc1ccccc1-c1nnc(o1)SCC[*:1]
Cc1ccccc1-c1nnc(SCCC(=O)NC(C)(C)C)o1 Cc1ccccc1[*:1] CC(C)(C)NC(=O)CCSc1nnc(o1)[*:1]
Cc1ccccc1-c1nnc(SCCC(=O)NC(C)(C)C)o1 CC(C)(C)[*:1] Cc1ccccc1-c1nnc(o1)SCCC(=O)N[*:1]
Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)nc1 O=[N+]([O-])c1cc(ccc1Cl)[*:1] Cc1ccc(nc1)NC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)nc1 Cc1ccc(nc1)NC(=O)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(Cl)c(c3)[N+](=O)[O-])c21)[*:1]
Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)nc1 O=[N+]([O-])[*:1] Cc1ccc(nc1)NC(=O)c1oc2CCC/C(=N\NC(=O)c3ccc(Cl)c(c3)[*:1])c2c1C
Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)nc1 Cc1ccc(nc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)c3ccc(Cl)c(c3)[N+](=O)[O-])c21)C(=O)N[*:1]
COCCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(OC)c(OC)cc21 COCC[*:1] COc1cc2s/c(=N\C(=O)[C@H]3CCCCN3S(C)(=O)=O)n(c2cc1OC)[*:1]
COCCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(OC)c(OC)cc21 COC[*:1] COc1cc2s/c(=N\C(=O)[C@H]3CCCCN3S(C)(=O)=O)n(C[*:1])c2cc1OC
O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 C1CN(CCO1)[*:1] O=C(NCC1(CCCCC1)[*:1])c1cccc(c1)S(=O)(=O)N1CCCc2ccccc21
COCCOCC(=O)Oc1cc(C)cc(C)c1C COCCO[*:1] Cc1cc(C)c(C)c(c1)OC(=O)C[*:1]
COCCOCC(=O)Oc1cc(C)cc(C)c1C COCCOC[*:1] Cc1cc(C)c(C)c(c1)OC(=O)[*:1]
COCCOCC(=O)Oc1cc(C)cc(C)c1C COCC[*:1] Cc1cc(C)c(C)c(c1)OC(=O)CO[*:1]
COCCOCC(=O)Oc1cc(C)cc(C)c1C COC[*:1] Cc1cc(C)c(C)c(c1)OC(=O)COC[*:1]
O=C(NNc1ccccc1[N+](=O)[O-])c1cccc2c1OCO2 O=[N+]([O-])[*:1] O=C(NNc1ccccc1[*:1])c1cccc2OCOc21
CCC(=O)N(Cc1cccs1)c1ccc(F)cc1F c1csc(c1)[*:1] CCC(=O)N(C[*:1])c1ccc(F)cc1F
CCC(=O)N(Cc1cccs1)c1ccc(F)cc1F c1csc(c1)C[*:1] CCC(=O)N(c1ccc(F)cc1F)[*:1]
COC(=O)c1cccnc1-c1cccc(C#N)n1 COC(=O)[*:1] N#Cc1cccc(n1)-c1ncccc1[*:1]
CC(C)Oc1ccc(S(=O)(=O)N(CCO)c2ccccc2)cc1 CC(C)O[*:1] O=S(=O)(c1ccc(cc1)[*:1])N(CCO)c1ccccc1
CC(C)Oc1ccc(S(=O)(=O)N(CCO)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)N(CCO)[*:1]
CC(C)Oc1ccc(S(=O)(=O)N(CCO)c2ccccc2)cc1 OCC[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)N(c1ccccc1)[*:1]
CC(C)Oc1ccc(S(=O)(=O)N(CCO)c2ccccc2)cc1 CC(C)[*:1] O=S(=O)(c1ccc(cc1)O[*:1])N(CCO)c1ccccc1
Cn1cc(-c2cccs2)nc1CCNC(=O)Nc1ccc2c(c1)OCO2 c1csc(c1)[*:1] Cn1cc(nc1CCNC(=O)Nc1ccc2OCOc2c1)[*:1]
Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](C)CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](C)[*:1]
Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](C)CCc1ccccc1 c1ccc(cc1)[*:1] Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](C)CC[*:1]
Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](C)CCc1ccccc1 c1cncc(c1)[*:1] Cc1onc(c1C(=O)N[C@@H](C)CCc1ccccc1)[*:1]
Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](C)CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](C)C[*:1]
CC(C)C[C@H](CNC(=O)/C=C/c1ccncc1)[NH+](C)C c1cc(ccn1)[*:1] CC(C)C[C@H](CNC(=O)C=C[*:1])[NH+](C)C
CC(C)C[C@H](CNC(=O)/C=C/c1ccncc1)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccncc1)[*:1]
CC(C)C[C@H](CNC(=O)/C=C/c1ccncc1)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccncc1)C[*:1]
COCCOCC(=O)N(C)c1ccc(F)c(F)c1 COCCOC[*:1] CN(C(=O)[*:1])c1ccc(F)c(F)c1
COCCOCC(=O)N(C)c1ccc(F)c(F)c1 COCC[*:1] CN(C(=O)CO[*:1])c1ccc(F)c(F)c1
COCCOCC(=O)N(C)c1ccc(F)c(F)c1 COCCO[*:1] CN(C(=O)C[*:1])c1ccc(F)c(F)c1
COCCOCC(=O)N(C)c1ccc(F)c(F)c1 COC[*:1] CN(C(=O)COC[*:1])c1ccc(F)c(F)c1
Cc1cscc1C(=O)N[C@@H](C#N)C1CC1 C1CC1[*:1] Cc1cscc1C(=O)N[C@@H](C#N)[*:1]
Cc1n[nH]c2cc(NC(=O)[C@H]3CSCN3C(=O)CC(C)(C)C)ccc12 CC(C)(C)C[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[C@H]1CSCN1C(=O)[*:1]
Cc1n[nH]c2cc(NC(=O)[C@H]3CSCN3C(=O)CC(C)(C)C)ccc12 CC(C)(C)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[C@H]1CSCN1C(=O)C[*:1]
COCCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CC1=O COC[*:1] C[C@@H](O)[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)C[*:1])C(=O)[O-]
COCCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CC1=O COCC[*:1] C[C@@H](O)[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])C(=O)[O-]
COCCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CC1=O O=C([O-])[*:1] COCCN1C[C@@H](CC1=O)C(=O)N[C@@H]([C@@H](C)O)[*:1]
COCCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CC1=O C[C@@H](O)[*:1] COCCN1C[C@@H](CC1=O)C(=O)N[C@@H](C(=O)[O-])[*:1]
C#C[C@@]1(O)C[C@H](C)[NH2+]C[C@]1(C)CCC#N N#CC[*:1] C#C[C@@]1(O)C[C@H](C)[NH2+]C[C@]1(C)C[*:1]
C#C[C@@]1(O)C[C@H](C)[NH2+]C[C@]1(C)CCC#N N#CCC[*:1] C#C[C@@]1(O)C[C@H](C)[NH2+]C[C@@]1(C)[*:1]
CCCCN1C[C@]2(CCCN(C(=O)c3snnc3CCC)C2)CCC1=O CCC[*:1] CCCCN1C[C@]2(CCCN(C2)C(=O)c2snnc2[*:1])CCC1=O
CCCCN1C[C@]2(CCCN(C(=O)c3snnc3CCC)C2)CCC1=O CCC[*:1] CCCc1nnsc1C(=O)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
CCCCN1C[C@]2(CCCN(C(=O)c3snnc3CCC)C2)CCC1=O CCCC[*:1] CCCc1nnsc1C(=O)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
CCCCN1C[C@]2(CCCN(C(=O)c3snnc3CCC)C2)CCC1=O CCCc1nnsc1[*:1] CCCCN1C[C@]2(CCCN(C2)C(=O)[*:1])CCC1=O
COC(=O)c1cn(Cc2cccs2)cc(C(=O)OC)c1=O c1csc(c1)C[*:1] COC(=O)c1cn(cc(C(=O)OC)c1=O)[*:1]
COC(=O)c1cn(Cc2cccs2)cc(C(=O)OC)c1=O COC(=O)[*:1] COC(=O)c1cn(cc(c1=O)[*:1])Cc1cccs1
COC(=O)c1cn(Cc2cccs2)cc(C(=O)OC)c1=O c1csc(c1)[*:1] COC(=O)c1cn(cc(C(=O)OC)c1=O)C[*:1]
Cc1cc(C)nc([C@@H](C#N)C(=O)/C=C/c2ccc3ccccc3n2)n1 Cc1cc(C)nc(n1)[*:1] N#C[C@@H](C(=O)/C=C/c1ccc2ccccc2n1)[*:1]
COCCN1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O COCC[*:1] Cc1ccc2NC(=O)[C@]3(N[C@H](Cc4c[nH]c5ccccc45)[C@H]4C(=O)N(C(=O)[C@H]43)[*:1])c2c1
COCCN1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O COC[*:1] Cc1ccc2NC(=O)[C@]3(N[C@H](Cc4c[nH]c5ccccc45)[C@H]4C(=O)N(C[*:1])C(=O)[C@H]43)c2c1
COCCN1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O c1ccc2c(c[nH]c2c1)C[*:1] COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@H]2[*:1])C(=O)Nc2ccc(C)cc21
COCCN1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O c1ccc2c(c[nH]c2c1)[*:1] COCCN1C(=O)[C@@H]2[C@@H](C[*:1])N[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O
CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1[*:1]
CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCCC1=O CCC(=O)[*:1] O=C(COc1ccc(Cl)cc1[*:1])Nc1ccccc1N1CCCC1=O
Cc1ccc(C[C@@H](CO)C[C@@H]2COc3ccccc32)cc1 Cc1ccc(cc1)[*:1] OC[C@@H](C[C@@H]1COc2ccccc21)C[*:1]
Cc1ncc([C@H](C)[NH2+][C@@H](CO)CC(C)(C)C)s1 CC(C)(C)[*:1] Cc1ncc(s1)[C@H](C)[NH2+][C@@H](CO)C[*:1]
Cc1ncc([C@H](C)[NH2+][C@@H](CO)CC(C)(C)C)s1 CC(C)(C)C[*:1] Cc1ncc(s1)[C@H](C)[NH2+][C@@H](CO)[*:1]
CCC[C@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(F)c1 NC(=O)N[*:1] CCC[C@H](C(=O)Nc1ccc(Cl)c(F)c1)[*:1]
CCC[C@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(F)c1 CCC[*:1] NC(=O)N[C@H](C(=O)Nc1ccc(Cl)c(F)c1)[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)c(OC)c1 CC(=O)N[*:1] COc1ccc(NC(=O)[C@H]2CC(=O)N(C2)c2cccc(c2)[*:1])c(c1)OC
CCn1cc(CNc2cc(CN3CC[NH+](C)CC3)ccc2OC)cn1 CCn1cc(cn1)C[*:1] COc1ccc(cc1N[*:1])CN1CC[NH+](C)CC1
CCn1cc(CNc2cc(CN3CC[NH+](C)CC3)ccc2OC)cn1 CCn1cc(cn1)[*:1] COc1ccc(cc1NC[*:1])CN1CC[NH+](C)CC1
O=Cc1c(N2CCCC2)nc2sccn12 C1CCN(C1)[*:1] O=Cc1c(nc2sccn12)[*:1]
Cc1ccc(C(C)C)c(OC[C@@H](O)CN2C(=O)NC3(CCCC3)C2=O)c1 CC(C)[*:1] Cc1ccc(c(c1)OC[C@@H](O)CN1C(=O)NC2(CCCC2)C1=O)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C CCC[*:1] Cc1nn(CC(=O)N[C@H]2C[C@H]2[*:1])c(C)c1[N+](=O)[O-]
CCC[C@@H]1C[C@@H]1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CCC[C@@H]1C[C@@H]1NC(=O)Cn1nc(C)c(c1C)[*:1]
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCOC1 O=C([O-])C[*:1] C#CCN(C(=O)N[C@@H]1CCOC1)[*:1]
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCOC1 C#CC[*:1] O=C([O-])CN(C(=O)N[C@@H]1CCOC1)[*:1]
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C#CCN(CC(=O)[O-])C(=O)N[*:1]
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCOC1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)N[C@@H]1CCOC1
CC[C@@H]1CCC[C@@H](N/C(NCc2ncc(C(C)(C)C)o2)=[NH+]\C)C1 CC(C)(C)[*:1] CC[C@@H]1CCC[C@H](C1)N/C(NCc1ncc(o1)[*:1])=[NH+]\C
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(Br)cc1)CC2)c1cccs1 Brc1ccc(cc1)[*:1] O=C(Nc1nc2CC[NH+](Cc2s1)C[*:1])c1cccs1
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(Br)cc1)CC2)c1cccs1 c1csc(c1)[*:1] O=C(Nc1nc2CC[NH+](Cc3ccc(Br)cc3)Cc2s1)[*:1]
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(Br)cc1)CC2)c1cccs1 Brc1ccc(cc1)C[*:1] O=C(Nc1nc2CC[NH+](Cc2s1)[*:1])c1cccs1
O=C(Nc1nc2c(s1)C[NH+](Cc1ccc(Br)cc1)CC2)c1cccs1 O=C(N[*:1])c1cccs1 Brc1ccc(cc1)C[NH+]1CCc2nc(sc2C1)[*:1]
Cn1cc(C2CC[NH+](CCCSCc3ccccc3)CC2)cn1 Cn1cc(cn1)[*:1] c1ccc(cc1)CSCCC[NH+]1CCC(CC1)[*:1]
Cn1cc(C2CC[NH+](CCCSCc3ccccc3)CC2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)C1CC[NH+](CCCSC[*:1])CC1
Cn1cc(C2CC[NH+](CCCSCc3ccccc3)CC2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)C1CC[NH+](CCCS[*:1])CC1
COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(F)cn2)c2[nH+]ccn2C)c1 C[C@@H](c1ccc(F)cn1)[*:1] COc1cc(cc(c1)[C@H](N[*:1])c1[nH+]ccn1C)OC
COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(F)cn2)c2[nH+]ccn2C)c1 Fc1ccc(nc1)[*:1] COc1cc(cc(c1)[C@H](N[C@@H](C)[*:1])c1[nH+]ccn1C)OC
CCN(CCC(=O)[O-])S(=O)(=O)c1cn(CC)cn1 O=C([O-])C[*:1] CCN(C[*:1])S(=O)(=O)c1cn(cn1)CC
CCN(CCC(=O)[O-])S(=O)(=O)c1cn(CC)cn1 O=C([O-])[*:1] CCN(CC[*:1])S(=O)(=O)c1cn(cn1)CC
CCN(CCC(=O)[O-])S(=O)(=O)c1cn(CC)cn1 O=C([O-])CC[*:1] CCN(S(=O)(=O)c1cn(cn1)CC)[*:1]
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(Cc1cccs1)c1ccc3c(c1)OCCO3)C2=O c1csc(c1)[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C[*:1])c1ccc3OCCOc3c1)C2=O
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(Cc1cccs1)c1ccc3c(c1)OCCO3)C2=O c1cc2OCCOc2cc1[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(Cc1cccs1)[*:1])C2=O
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(Cc1cccs1)c1ccc3c(c1)OCCO3)C2=O c1csc(c1)C[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(c1ccc3OCCOc3c1)[*:1])C2=O
Cc1ccccc1CC(=O)N1CCc2cc(-c3ccno3)ccc21 Cc1ccccc1C[*:1] O=C(N1CCc2cc(ccc21)-c1ccno1)[*:1]
Cc1ccccc1CC(=O)N1CCc2cc(-c3ccno3)ccc21 Cc1ccccc1[*:1] O=C(C[*:1])N1CCc2cc(ccc21)-c1ccno1
Cc1ccccc1CC(=O)N1CCc2cc(-c3ccno3)ccc21 c1cc(on1)[*:1] Cc1ccccc1CC(=O)N1CCc2cc(ccc21)[*:1]
C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCCC1(C)C c1cc(cs1)[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CCCC1(C)C
Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)[O-])OCC(=O)N2 O=C([O-])C[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N(C)[*:1]
Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)[O-])OCC(=O)N2 O=C([O-])[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N(C)C[*:1]
O=C1CN(c2ccc(NC(=O)NCc3cc4ccccc4o3)c[nH+]2)CCN1 c1ccc2oc(cc2c1)[*:1] O=C1CN(CCN1)c1ccc(c[nH+]1)NC(=O)NC[*:1]
O=C1CN(c2ccc(NC(=O)NCc3cc4ccccc4o3)c[nH+]2)CCN1 O=C1CN(CCN1)[*:1] O=C(NCc1cc2ccccc2o1)Nc1ccc([nH+]c1)[*:1]
NC(=O)CC1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 FC(F)(F)[*:1] NC(=O)CC1CC[NH+](CC1)Cc1ccccc1OC[*:1]
NC(=O)CC1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 FC(F)(F)C[*:1] NC(=O)CC1CC[NH+](CC1)Cc1ccccc1O[*:1]
NC(=O)CC1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 FC(F)(F)CO[*:1] NC(=O)CC1CC[NH+](CC1)Cc1ccccc1[*:1]
NC(=O)CC1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 NC(=O)C[*:1] FC(F)(F)COc1ccccc1C[NH+]1CCC(CC1)[*:1]
NC(=O)CC1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 NC(=O)[*:1] FC(F)(F)COc1ccccc1C[NH+]1CCC(CC1)C[*:1]
CC(C)c1nc(CN(C)C(=O)c2cnc(C[NH+]3CCCC3)s2)no1 CC(C)c1nc(no1)[*:1] CN(C[*:1])C(=O)c1cnc(C[NH+]2CCCC2)s1
CC(C)c1nc(CN(C)C(=O)c2cnc(C[NH+]3CCCC3)s2)no1 CC(C)[*:1] CN(Cc1noc(n1)[*:1])C(=O)c1cnc(C[NH+]2CCCC2)s1
CC1CCN(c2ncnc(Oc3ccc(Br)cc3)c2[N+](=O)[O-])CC1 CC1CCN(CC1)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Oc1ccc(Br)cc1
CC1CCN(c2ncnc(Oc3ccc(Br)cc3)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC1CCN(CC1)c1ncnc(Oc2ccc(Br)cc2)c1[*:1]
CC1CCN(c2ncnc(Oc3ccc(Br)cc3)c2[N+](=O)[O-])CC1 Brc1ccc(cc1)[*:1] CC1CCN(CC1)c1ncnc(O[*:1])c1[N+](=O)[O-]
CC1CCN(c2ncnc(Oc3ccc(Br)cc3)c2[N+](=O)[O-])CC1 Brc1ccc(cc1)O[*:1] CC1CCN(CC1)c1ncnc(c1[N+](=O)[O-])[*:1]
CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)[*:1]
CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)[*:1]
Cc1ccccc1OC[C@H](O)CSc1nc(-c2cccs2)n[nH]1 Cc1ccccc1[*:1] O[C@@H](CO[*:1])CSc1nc(n[nH]1)-c1cccs1
Cc1ccccc1OC[C@H](O)CSc1nc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] Cc1ccccc1OC[C@H](O)CSc1nc(n[nH]1)[*:1]
Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 Cc1ccccc1NC(=O)[*:1] Oc1ccc(cc1)-c1nnc(SC[*:1])n1-c1ccccc1
Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1[*:1]
Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 Oc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 Cc1ccccc1[*:1] O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)N[*:1]
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 FC(F)O[*:1] N#C/C(=C/c1ccc(cc1)[*:1])C(=O)N1CCN(CC1)Cc1ccccc1
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 FC(F)[*:1] N#C/C(=C/c1ccc(cc1)O[*:1])C(=O)N1CCN(CC1)Cc1ccccc1
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] N#C/C(=C/c1ccc(cc1)OC(F)F)C(=O)N1CCN(CC1)[*:1]
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] N#C/C(=C/c1ccc(cc1)OC(F)F)C(=O)N1CCN(CC1)C[*:1]
C[C@@H](Cl)c1nc2cnccc2n1CCCN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@H](Cl)c1nc2cnccc2n1CC[*:1]
C[C@@H](Cl)c1nc2cnccc2n1CCCN1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](Cl)c1nc2cnccc2n1CCC[*:1]
C[C@@H](Cl)c1nc2cnccc2n1CCCN1CCOCC1 C[C@@H](Cl)[*:1] c1cc2c(cn1)nc(n2CCCN1CCOCC1)[*:1]
C[NH+](C)C[C@@H](N[C@H]1CSCC(C)(C)C1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)C[C@@H](N[C@H]1CSCC(C)(C)C1)[*:1]
CCSC[C@@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 CCSC[*:1] CS(=O)(=O)N1CCC[C@H](C[C@H]([NH3+])[*:1])C1
CCSC[C@@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 CCS[*:1] CS(=O)(=O)N1CCC[C@H](C[C@H]([NH3+])C[*:1])C1
O=C([O-])CNC(=O)CCCNC(=O)c1cccs1 O=C([O-])C[*:1] O=C(CCCNC(=O)c1cccs1)N[*:1]
O=C([O-])CNC(=O)CCCNC(=O)c1cccs1 O=C([O-])[*:1] O=C(CCCNC(=O)c1cccs1)NC[*:1]
O=C([O-])CNC(=O)CCCNC(=O)c1cccs1 c1csc(c1)[*:1] O=C([O-])CNC(=O)CCCNC(=O)[*:1]
Cc1cc(C)c(-c2csc(NC(=O)CSc3nnc(-c4ccco4)n3C)n2)cc1C Cc1cc(C)c(cc1C)[*:1] Cn1c(nnc1-c1ccco1)SCC(=O)Nc1nc(cs1)[*:1]
Cc1cc(C)c(-c2csc(NC(=O)CSc3nnc(-c4ccco4)n3C)n2)cc1C c1coc(c1)[*:1] Cc1cc(C)c(cc1C)-c1csc(n1)NC(=O)CSc1nnc(n1C)[*:1]
CCCn1ccnc(N2CCc3ccc(N)cc3C2)c1=O CCC[*:1] Nc1ccc2CCN(Cc2c1)c1nccn(c1=O)[*:1]
COc1nn(C)cc1C(=O)N1CCN(CCNC(=O)c2cc(Cl)ccc2Cl)CC1 Clc1ccc(Cl)c(c1)[*:1] COc1nn(C)cc1C(=O)N1CCN(CCNC(=O)[*:1])CC1
COc1nn(C)cc1C(=O)N1CCN(CCNC(=O)c2cc(Cl)ccc2Cl)CC1 COc1nn(C)cc1[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])c1cc(Cl)ccc1Cl
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ncn(C)n1 CC(C)[*:1] Cn1cnc(CCNC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[*:1])n1
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ncn(C)n1 Clc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NCCc1ncn(C)n1
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ncn(C)n1 Cn1cnc(C[*:1])n1 CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[*:1]
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ncn(C)n1 Cn1cnc(CC[*:1])n1 CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ncn(C)n1 Cn1cnc(n1)[*:1] CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 CC(C)O[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C1)C(=O)c1cccc(c1)[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 Cc1nn(C)c(C)c1[*:1] CC(C)Oc1cccc(c1)C(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 CC(C)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C1)C(=O)c1cccc(c1)O[*:1]
C[C@@H](C(=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 CC(C)(C)[*:1] C[C@@H](C(=O)[O-])[C@H]1CCN(C(=O)O[*:1])[C@H](C)C1
C[C@@H](C(=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 O=C([O-])[*:1] C[C@@H]1C[C@H](CCN1C(=O)OC(C)(C)C)[C@H](C)[*:1]
COc1cccc2s/c(=N\C(=O)CCCS(=O)(=O)Cc3ccccc3)n(C)c12 c1ccc(cc1)[*:1] COc1cccc2s/c(=N\C(=O)CCCS(=O)(=O)C[*:1])n(C)c12
COc1cccc2s/c(=N\C(=O)CCCS(=O)(=O)Cc3ccccc3)n(C)c12 c1ccc(cc1)C[*:1] COc1cccc2s/c(=N\C(=O)CCCS(=O)(=O)[*:1])n(C)c12
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N(C)[C@H](C)c1cccnc1 CC(C)[*:1] Cc1cc(ccc1NC(=O)N(C)[C@H](C)c1cccnc1)C(=O)N[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N(C)[C@H](C)c1cccnc1 CC(C)NC(=O)[*:1] Cc1cc(ccc1NC(=O)N(C)[C@H](C)c1cccnc1)[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N(C)[C@H](C)c1cccnc1 c1cncc(c1)[*:1] Cc1cc(ccc1NC(=O)N(C)[C@H](C)[*:1])C(=O)NC(C)C
O=C(Nc1cccc(-c2nnc3n2CCC3)c1)N[C@@H]1C[C@H]2CCCc3cccc1c32 C1Cc2nnc(n2C1)[*:1] O=C(Nc1cccc(c1)[*:1])N[C@@H]1C[C@H]2CCCc3cccc1c32
CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 CCS(=O)(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)[NH2+][C@H](C)C[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(c1)[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 CCS(=O)(=O)C[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)[NH2+][C@H](C)[*:1]
CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)cc1 CCOc1ccc(cc1)[*:1] Cc1nn(Cc2ccccc2)c2nc(cc(C(=O)N[*:1])c12)C1CC1
CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)NC(=O)c1cc(nc2c1c(C)nn2[*:1])C1CC1
CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)cc1 CCO[*:1] Cc1nn(Cc2ccccc2)c2nc(cc(C(=O)Nc3ccc(cc3)[*:1])c12)C1CC1
CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)cc1 C1CC1[*:1] CCOc1ccc(cc1)NC(=O)c1cc(nc2c1c(C)nn2Cc1ccccc1)[*:1]
CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)c1cc(nc2c1c(C)nn2C[*:1])C1CC1
Cn1nc(C2CCN(C(=O)NC3CCCC3)CC2)n(C2CC2)c1=O C1CC1[*:1] Cn1nc(C2CCN(CC2)C(=O)NC2CCCC2)n(c1=O)[*:1]
Cn1nc(C2CCN(C(=O)NC3CCCC3)CC2)n(C2CC2)c1=O C1CCC(C1)[*:1] Cn1nc(C2CCN(CC2)C(=O)N[*:1])n(c1=O)C1CC1
c1ccc2nc(O[C@H]3CCC[NH2+]C3)c(NC3CC3)nc2c1 C1CC1[*:1] c1ccc2nc(O[C@H]3CCC[NH2+]C3)c(nc2c1)N[*:1]
c1ccc2nc(O[C@H]3CCC[NH2+]C3)c(NC3CC3)nc2c1 C1CC1N[*:1] c1ccc2nc(c(nc2c1)O[C@H]1CCC[NH2+]C1)[*:1]
C[C@@H]1CCCCN1c1ncnc(N2CC[NH+](C)CC2)c1N C[C@@H]1CCCCN1[*:1] C[NH+]1CCN(CC1)c1ncnc(c1N)[*:1]
CCOc1c(Cl)cc(CN[C@H]2CC[C@@H]([NH+](C)C)C2)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])CN[C@H]1CC[C@H](C1)[NH+](C)C
CC(C)c1ccc(CCC(=O)O[C@@H](C)[C@H]2CCOC2)cc1 CC(C)[*:1] C[C@H](OC(=O)CCc1ccc(cc1)[*:1])[C@H]1CCOC1
COc1ccc(NC(=O)CSc2nccn(-c3ccc(F)c(F)c3)c2=O)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)N[*:1]
COc1ccc(NC(=O)CSc2nccn(-c3ccc(F)c(F)c3)c2=O)c(OC)c1 Fc1ccc(cc1F)[*:1] COc1ccc(NC(=O)CSc2nccn(c2=O)[*:1])c(c1)OC
Cc1noc(CCC(=O)OC[C@@H]2CCCCO2)n1 Cc1noc(n1)[*:1] O=C(CC[*:1])OC[C@@H]1CCCCO1
Cc1noc(CCC(=O)OC[C@@H]2CCCCO2)n1 C1CC[C@H](OC1)[*:1] Cc1noc(CCC(=O)OC[*:1])n1
O=C([O-])[C@@H]1C=C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 O=C([O-])[*:1] O=C(N[C@@H]1C=C[C@H](C1)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc([C@@H]2[C@@H](C[NH3+])CCN2C(C)C)ccc1Br CC(C)[*:1] Cc1cc(ccc1Br)[C@@H]1[C@@H](C[NH3+])CCN1[*:1]
Cc1nc2cc(NC(=O)CCNC(=O)c3ccccc3Cl)ccc2o1 Clc1ccccc1[*:1] Cc1nc2cc(ccc2o1)NC(=O)CCNC(=O)[*:1]
CC[C@@H](CC[NH3+])[NH+]1CCN(CC[NH+](C)C)CC1 C[NH+](C)C[*:1] CC[C@@H](CC[NH3+])[NH+]1CCN(CC1)C[*:1]
CC[C@@H](CC[NH3+])[NH+]1CCN(CC[NH+](C)C)CC1 C[NH+](C)CC[*:1] CC[C@@H](CC[NH3+])[NH+]1CCN(CC1)[*:1]
c1cc2c(cc1C[NH2+]CCCN1CCOCC1)OCO2 C1CN(CCO1)[*:1] c1cc2OCOc2cc1C[NH2+]CCC[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 CC(C)(C)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccnn1[*:1])[NH+]1CCCCC1
Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(F)cc3)cc12 Fc1ccc(cc1)[*:1] Cc1nn(CC(C)C)c2sc(cc12)C(=O)NC[*:1]
Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(F)cc3)cc12 Fc1ccc(cc1)C[*:1] Cc1nn(CC(C)C)c2sc(cc12)C(=O)N[*:1]
Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(F)cc3)cc12 CC(C)C[*:1] Cc1nn(c2sc(cc12)C(=O)NCc1ccc(F)cc1)[*:1]
Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(F)cc3)cc12 CC(C)[*:1] Cc1nn(C[*:1])c2sc(cc12)C(=O)NCc1ccc(F)cc1
Cc1nc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)cs1 Cc1nc(cs1)C[*:1] Clc1ccccc1-n1c(nnc1N1CCCC1)S[*:1]
Cc1nc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)cs1 C1CCN(C1)[*:1] Cc1nc(cs1)CSc1nnc(n1-c1ccccc1Cl)[*:1]
Cc1nc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)cs1 Clc1ccccc1[*:1] Cc1nc(cs1)CSc1nnc(N2CCCC2)n1[*:1]
Cc1nc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)cs1 Cc1nc(cs1)CS[*:1] Clc1ccccc1-n1c(nnc1[*:1])N1CCCC1
Cc1nc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)cs1 Cc1nc(cs1)[*:1] Clc1ccccc1-n1c(nnc1N1CCCC1)SC[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(C)[C@H](C)c3ccncc3)c12 C1CC1[*:1] Cc1nn(C)c2nc(cc(C(=O)N(C)[C@H](C)c3ccncc3)c12)[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(C)[C@H](C)c3ccncc3)c12 c1cc(ccn1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(C)[C@H](C)[*:1])c12)C1CC1
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N(C)[C@H](C)c3ccncc3)c12 C[C@H](c1ccncc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(C)[*:1])c12)C1CC1
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C#N Clc1cccc(Cl)c1[*:1] CN(CC(=O)N[*:1])C(=O)COc1ccccc1C#N
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C#N N#Cc1ccccc1[*:1] CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CO[*:1]
O=C(N[C@H]1C=C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(N[C@H]1C=C[C@H](C1)C(=O)[O-])c1ccc(Cl)cc1[*:1]
O=C(N[C@H]1C=C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1[N+](=O)[O-] O=C([O-])[*:1] O=C(N[C@H]1C=C[C@@H](C1)[*:1])c1ccc(Cl)cc1[N+](=O)[O-]
CC[C@H](C)CS(=O)(=O)c1cccc(Br)c1 CC[C@H](C)C[*:1] O=S(=O)(c1cccc(Br)c1)[*:1]
CC[C@H](C)CS(=O)(=O)c1cccc(Br)c1 CC[C@H](C)[*:1] O=S(=O)(C[*:1])c1cccc(Br)c1
C[C@H]([NH2+]Cc1cccc(OCC(F)F)n1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H]([NH2+]Cc1cccc(n1)OCC(F)F)[*:1]
C[C@H]([NH2+]Cc1cccc(OCC(F)F)n1)c1ccccc1Cl FC(F)C[*:1] C[C@H]([NH2+]Cc1cccc(n1)O[*:1])c1ccccc1Cl
C[C@H]([NH2+]Cc1cccc(OCC(F)F)n1)c1ccccc1Cl FC(F)[*:1] C[C@H]([NH2+]Cc1cccc(n1)OC[*:1])c1ccccc1Cl
C[C@H]([NH2+]Cc1cccc(OCC(F)F)n1)c1ccccc1Cl FC(F)CO[*:1] C[C@H]([NH2+]Cc1cccc(n1)[*:1])c1ccccc1Cl
O=C1CCCN1C[C@@H](Nc1nc2ccccc2o1)c1ccccc1 O=C1CCCN1C[*:1] c1ccc(cc1)[C@H](Nc1nc2ccccc2o1)[*:1]
O=C1CCCN1C[C@@H](Nc1nc2ccccc2o1)c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCN1C[C@@H](Nc1nc2ccccc2o1)[*:1]
O=C1CCCN1C[C@@H](Nc1nc2ccccc2o1)c1ccccc1 O=C1CCCN1[*:1] c1ccc(cc1)[C@@H](C[*:1])Nc1nc2ccccc2o1
Cn1ncnc1NC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 Cn1ncnc1[*:1] O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)N[*:1]
Cc1csc(CS(=O)(=O)Cc2noc(-c3ccsc3)n2)n1 Cc1csc(C[*:1])n1 O=S(=O)(Cc1noc(n1)-c1ccsc1)[*:1]
Cc1csc(CS(=O)(=O)Cc2noc(-c3ccsc3)n2)n1 c1cc(cs1)[*:1] Cc1csc(CS(=O)(=O)Cc2noc(n2)[*:1])n1
Cc1csc(CS(=O)(=O)Cc2noc(-c3ccsc3)n2)n1 Cc1csc(n1)[*:1] O=S(=O)(Cc1noc(n1)-c1ccsc1)C[*:1]
CC(C)=C1Oc2c3c(cc(C)c2C1=O)OCN([C@H]1CCS(=O)(=O)C1)C3 O=S1(=O)CC[C@@H](C1)[*:1] CC(C)=C1Oc2c3CN(COc3cc(C)c2C1=O)[*:1]
CSC[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CSC[C@H](C)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CSC[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 CSC[*:1] C[C@H](C(=O)Nc1ccc(cc1)NC(=O)c1ccc(Cl)cc1)[*:1]
Cc1nc(C)c(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)o1 c1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)N(C)[C@H]1CCCN(C1=O)[*:1]
Cc1nc(C)c(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)o1 Cc1nc(C)c(o1)[*:1] CN(C(=O)[*:1])[C@H]1CCCN(C1=O)c1ccccc1
O=C(Oc1ccc2cn[nH]c2c1)c1csc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=C(Oc1ccc2cn[nH]c2c1)c1csc(n1)[*:1]
CCCCNC(=O)[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 CCCC[*:1] CC(C)(C)c1cc(=O)n2C[C@@H](CSc2n1)C(=O)N[*:1]
CCCCNC(=O)[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 CCCCNC(=O)[*:1] CC(C)(C)c1cc(=O)n2C[C@@H](CSc2n1)[*:1]
CCCCNC(=O)[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 CCC[*:1] CC(C)(C)c1cc(=O)n2C[C@@H](CSc2n1)C(=O)NC[*:1]
CCCCNC(=O)[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 CC(C)(C)[*:1] CCCCNC(=O)[C@@H]1CSc2nc(cc(=O)n2C1)[*:1]
FC(F)(F)C1(C(F)(F)F)[NH2+][C@@H]2[C@H](OCCCl)C[C@H]1[C@H]2Cl ClCC[*:1] FC(F)(F)C1([NH2+][C@@H]2[C@@H](C[C@H]1[C@H]2Cl)O[*:1])C(F)(F)F
FC(F)(F)C1(C(F)(F)F)[NH2+][C@@H]2[C@H](OCCCl)C[C@H]1[C@H]2Cl FC(F)(F)[*:1] FC(F)(F)C1([NH2+][C@@H]2[C@@H](C[C@H]1[C@H]2Cl)OCCCl)[*:1]
FC(F)(F)C1(C(F)(F)F)[NH2+][C@@H]2[C@H](OCCCl)C[C@H]1[C@H]2Cl ClCCO[*:1] FC(F)(F)C1([NH2+][C@H]2[C@H](Cl)[C@@H]1C[C@@H]2[*:1])C(F)(F)F
Cc1ccccc1CC[NH2+][C@@H](C)Cc1ccco1 c1coc(c1)[*:1] Cc1ccccc1CC[NH2+][C@@H](C)C[*:1]
Cc1ccccc1CC[NH2+][C@@H](C)Cc1ccco1 c1coc(c1)C[*:1] Cc1ccccc1CC[NH2+][C@@H](C)[*:1]
C[C@H](Sc1ncc(Cl)cc1Cl)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 c1coc(c1)[*:1] C[C@H](Sc1ncc(Cl)cc1Cl)c1nc(=O)c2c(csc2[nH]1)[*:1]
C[C@H](Sc1ncc(Cl)cc1Cl)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 Clc1cnc(c(Cl)c1)[*:1] C[C@H](S[*:1])c1nc(=O)c2c(csc2[nH]1)-c1ccco1
C=CCn1c(SCC(=O)Nc2ccccc2C)nc2cc(Cl)ccc2c1=O C=CC[*:1] Cc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1[*:1]
C=CCn1c(SCC(=O)Nc2ccccc2C)nc2cc(Cl)ccc2c1=O Cc1ccccc1[*:1] C=CCn1c(nc2cc(Cl)ccc2c1=O)SCC(=O)N[*:1]
Cc1nc(Nc2ncnc(Nc3ccccc3Br)c2[N+](=O)[O-])sc1C Cc1nc(N[*:1])sc1C O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccccc1Br
Cc1nc(Nc2ncnc(Nc3ccccc3Br)c2[N+](=O)[O-])sc1C O=[N+]([O-])[*:1] Cc1nc(Nc2ncnc(Nc3ccccc3Br)c2[*:1])sc1C
Cc1nc(Nc2ncnc(Nc3ccccc3Br)c2[N+](=O)[O-])sc1C Cc1nc(sc1C)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1ccccc1Br
Cc1nc(Nc2ncnc(Nc3ccccc3Br)c2[N+](=O)[O-])sc1C Brc1ccccc1N[*:1] Cc1nc(Nc2ncnc(c2[N+](=O)[O-])[*:1])sc1C
Cc1nc(Nc2ncnc(Nc3ccccc3Br)c2[N+](=O)[O-])sc1C Brc1ccccc1[*:1] Cc1nc(Nc2ncnc(N[*:1])c2[N+](=O)[O-])sc1C
CCn1nccc1C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 CCn1nccc1[*:1] Cc1cc(C)c(-c2csc(n2)NC(=O)[*:1])c(C)c1
O=C(C[C@@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)=NC1=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[C@@H]1SC(=NC1=O)N1N=C(C[C@@H]1c1ccc(F)cc1)c1ccccc1)N[*:1]
O=C(C[C@@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)=NC1=O)Nc1ccc(F)cc1 O=C(C[*:1])Nc1ccc(F)cc1 O=C1N=C(S[C@H]1[*:1])N1N=C(C[C@@H]1c1ccc(F)cc1)c1ccccc1
O=C(C[C@@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)=NC1=O)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=C1N=C(S[C@H]1C[*:1])N1N=C(C[C@@H]1c1ccc(F)cc1)c1ccccc1
O=C(C[C@@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)=NC1=O)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1SC(=NC1=O)N1N=C(C[C@@H]1c1ccc(F)cc1)[*:1])Nc1ccc(F)cc1
O=C(C[C@@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)=NC1=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[C@@H]1SC(=NC1=O)N1N=C(C[C@H]1[*:1])c1ccccc1)Nc1ccc(F)cc1
Cc1cccc([C@@H](C)CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 Cc1cccc(c1)[C@@H](C)[*:1] Cn1c(=O)c2ccc(nc2n(C)c1=O)C(=O)NC[*:1]
Cc1cccc([C@@H](C)CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[*:1]
CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCCC[C@@H]12 c1ccc(cc1)[*:1] CC1=NN(C(=O)[C@@]12Cc1cc(Br)ccc1N1CCCC[C@@H]12)[*:1]
CCCCC[C@@H](C)Nc1nc(Cl)ncc1Cl CCCCC[*:1] C[C@@H](Nc1nc(Cl)ncc1Cl)[*:1]
CCCCC[C@@H](C)Nc1nc(Cl)ncc1Cl CCC[*:1] C[C@H](CC[*:1])Nc1nc(Cl)ncc1Cl
CCCCC[C@@H](C)Nc1nc(Cl)ncc1Cl CCCC[*:1] C[C@H](C[*:1])Nc1nc(Cl)ncc1Cl
COc1cccc2c1OCC[C@H]2[NH2+]CCCNC(=O)C1CCC1 C1CC(C1)[*:1] COc1cccc2c1OCC[C@H]2[NH2+]CCCNC(=O)[*:1]
COc1cccc2c1OCC[C@H]2[NH2+]CCCNC(=O)C1CCC1 O=C(N[*:1])C1CCC1 COc1cccc2c1OCC[C@H]2[NH2+]CCC[*:1]
CCN1C[C@@H](C(=O)N(C)Cc2nnc(C)o2)CC1=O Cc1nnc(o1)[*:1] CCN1C[C@H](CC1=O)C(=O)N(C)C[*:1]
O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@@H]1c1nnc2ccccn12 c1ccc2oc(nc2c1)[*:1] O=C(C=C[*:1])N1CCC[C@@H]1c1nnc2ccccn12
O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@@H]1c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@H]1[*:1]
NC(=O)c1cccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 NC(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCN(CC1)c1cc[nH+]cc1
COCCCNC(=O)Nc1ccccc1-c1nc2ccccc2s1 COCCC[*:1] O=C(Nc1ccccc1-c1nc2ccccc2s1)N[*:1]
COCCCNC(=O)Nc1ccccc1-c1nc2ccccc2s1 COCC[*:1] O=C(NC[*:1])Nc1ccccc1-c1nc2ccccc2s1
COCCCNC(=O)Nc1ccccc1-c1nc2ccccc2s1 COC[*:1] O=C(NCC[*:1])Nc1ccccc1-c1nc2ccccc2s1
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2nc(C)cc2C)nc1 Cc1cc(C)n(n1)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(nc1)[*:1]
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCCc1ccccc1 c1ccc(nc1)[*:1] O=C(CSc1ccc2nnc(n2n1)[*:1])NCCc1ccccc1
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N[*:1]
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCC[*:1]
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NC[*:1]
O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1c(Cl)cccc1Cl c1ccc(cc1)C[*:1] O=C(CSc1n[nH]c(=O)n1C[*:1])Nc1c(Cl)cccc1Cl
O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1c(Cl)cccc1Cl c1ccc(cc1)[*:1] O=C(CSc1n[nH]c(=O)n1CC[*:1])Nc1c(Cl)cccc1Cl
O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1c(Cl)cccc1Cl c1ccc(cc1)CC[*:1] O=C(CSc1n[nH]c(=O)n1[*:1])Nc1c(Cl)cccc1Cl
O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)N[*:1]
Cc1c(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)oc2ccc(Br)cc12 CC1CCN(CC1)C(=O)[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)N1CCC(CC1)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1CC)CC(=O)N2 C=CC[*:1] CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)S[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1CC)CC(=O)N2 C=CCS[*:1] CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1CC)CC(=O)N2 CCc1ccccc1[*:1] C=CCSc1nc2NC(=O)C[C@@H](C(=O)N[*:1])c2c(=O)[nH]1
C[C@H](NC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1cccc2ccccc12 CC(C)(C)[*:1] C[C@H](NC(=O)[C@H]1CSCN1C(=O)O[*:1])c1cccc2ccccc12
COc1ncc(C[NH2+]C[C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] COc1ncc(C[NH2+]C[*:1])s1
O=C(CCCn1cccc1)N1CCOCC1 c1ccn(c1)[*:1] O=C(CCC[*:1])N1CCOCC1
O=C(CCc1ccccc1)OCc1ccc(F)cc1F c1ccc(cc1)[*:1] O=C(CC[*:1])OCc1ccc(F)cc1F
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)Nc2cccc(Cl)c2)C(=O)CO3)CC1 CC1CCN(CC1)S(=O)(=O)[*:1] O=C(CN1C(=O)COc2ccc(cc21)[*:1])Nc1cccc(Cl)c1
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)Nc2cccc(Cl)c2)C(=O)CO3)CC1 O=C(Nc1cccc(Cl)c1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2OCC(=O)N(C[*:1])c2c1
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)Nc2cccc(Cl)c2)C(=O)CO3)CC1 Clc1cccc(c1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2OCC(=O)N(CC(=O)N[*:1])c2c1
Brc1ccc(-c2cnn(Cc3ccccc3)c2)cc1 c1ccc(cc1)[*:1] Brc1ccc(cc1)-c1cnn(c1)C[*:1]
O=C(c1ccccc1-n1cccn1)N1CCC(Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] O=C(c1ccccc1-n1cccn1)N1CCC(CC1)[*:1]
O=C(c1ccccc1-n1cccn1)N1CCC(Cc2cccc(F)c2)CC1 c1cnn(c1)[*:1] O=C(c1ccccc1[*:1])N1CCC(CC1)Cc1cccc(F)c1
O=C(c1ccccc1-n1cccn1)N1CCC(Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(c1ccccc1-n1cccn1)N1CCC(CC1)C[*:1]
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O COC(=O)[C@H](C)[*:1] O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(ccc21)O[*:1]
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O Clc1ccc(c(Cl)c1)[*:1] COC(=O)[C@H](C)Oc1ccc2C(=O)C(=C[*:1])Oc2c1
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O COC(=O)[C@H](C)O[*:1] O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(ccc21)[*:1]
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O COC(=O)[*:1] C[C@H](Oc1ccc2C(=O)/C(=C/c3ccc(Cl)cc3Cl)Oc2c1)[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccnc1)c1nc3cc([N+](=O)[O-])ccc3nc12 c1cncc(c1)[*:1] CC1(C)[C@]2(C)CC[C@@]1(C(=O)N[*:1])c1nc3cc(ccc3nc12)[N+](=O)[O-]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccnc1)c1nc3cc([N+](=O)[O-])ccc3nc12 O=[N+]([O-])[*:1] CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccnc1)c1nc3cc(ccc3nc12)[*:1]
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccnc1)c1nc3cc([N+](=O)[O-])ccc3nc12 O=C(Nc1cccnc1)[*:1] CC1(C)[C@]2(C)CC[C@]1(c1nc3cc(ccc3nc12)[N+](=O)[O-])[*:1]
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCCc2cc(F)ccc21 O=[N+]([O-])[*:1] O=C(c1cc(Cl)ccc1[*:1])N1CCCc2cc(F)ccc21
COc1ccc2cc(C[NH2+]C[C@@H](O)C3CCOCC3)ccc2c1 C1CC(CCO1)[*:1] COc1ccc2cc(ccc2c1)C[NH2+]C[C@@H](O)[*:1]
[NH3+][C@H]1CCC[C@H](Nc2ccc(Sc3ncn[nH]3)cc2)C1 c1n[nH]c(n1)[*:1] [NH3+][C@H]1CCC[C@@H](C1)Nc1ccc(cc1)S[*:1]
[NH3+][C@H]1CCC[C@H](Nc2ccc(Sc3ncn[nH]3)cc2)C1 c1n[nH]c(n1)S[*:1] [NH3+][C@H]1CCC[C@@H](C1)Nc1ccc(cc1)[*:1]
C=CCC(=O)N1CC[C@H](C(=O)OC)C1 COC(=O)[*:1] C=CCC(=O)N1CC[C@H](C1)[*:1]
C=CCC(=O)N1CC[C@H](C(=O)OC)C1 C=CC[*:1] COC(=O)[C@H]1CCN(C1)C(=O)[*:1]
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(cc2)[N+](=O)[O-])N1C[C@@H]1CCCO1
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 O=C(c1ccc(Br)cc1)[*:1] O=C1C([O-])=C([C@@H](c2ccc(cc2)[N+](=O)[O-])N1C[C@@H]1CCCO1)[*:1]
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 C1CO[C@@H](C1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(cc1)[N+](=O)[O-])c1ccc(Br)cc1
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 O=[N+]([O-])[*:1] O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(cc1)[*:1])c1ccc(Br)cc1
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 C1CO[C@@H](C1)C[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc(cc1)[N+](=O)[O-])[*:1])c1ccc(Br)cc1
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1[*:1])c1ccc(Br)cc1
CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccccc1[*:1]
CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccccc1[N+](=O)[O-] CC(C)(C)[*:1] N#Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n(c1)[*:1]
Cc1ccc(N)c(Sc2ccc(C(F)(F)F)cn2)c1 FC(F)(F)[*:1] Cc1ccc(N)c(c1)Sc1ccc(cn1)[*:1]
CCCCn1c(N)c(N(CC)C(=O)c2cc(C)on2)c(=O)[nH]c1=O CCC[*:1] CCN(C(=O)c1cc(C)on1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCCCn1c(N)c(N(CC)C(=O)c2cc(C)on2)c(=O)[nH]c1=O Cc1cc(no1)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(CC)C(=O)[*:1]
CCCCn1c(N)c(N(CC)C(=O)c2cc(C)on2)c(=O)[nH]c1=O CCCC[*:1] CCN(C(=O)c1cc(C)on1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
COC[C@@H](C)[NH2+][C@H]1CCCc2ccc(Br)cc21 COC[*:1] C[C@@H]([NH2+][C@H]1CCCc2ccc(Br)cc21)[*:1]
CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])s1 NC(=O)CC[*:1] CC(C)(O)C#Cc1ccc(s1)C(=O)N[C@@H](C(=O)[O-])[*:1]
CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])s1 NC(=O)[*:1] CC(C)(O)C#Cc1ccc(s1)C(=O)N[C@@H](CC[*:1])C(=O)[O-]
CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])s1 CC(C)(O)C#C[*:1] NC(=O)CC[C@H](NC(=O)c1ccc(s1)[*:1])C(=O)[O-]
CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])s1 O=C([O-])[*:1] CC(C)(O)C#Cc1ccc(s1)C(=O)N[C@@H](CCC(N)=O)[*:1]
CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])s1 CC(C)(O)[*:1] NC(=O)CC[C@H](NC(=O)c1ccc(C#C[*:1])s1)C(=O)[O-]
CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])s1 NC(=O)C[*:1] CC(C)(O)C#Cc1ccc(s1)C(=O)N[C@@H](C[*:1])C(=O)[O-]
CCCn1c(C[C@H]([NH3+])c2cnn(C)c2)nc2ccccc21 CCC[*:1] Cn1cc(cn1)[C@@H]([NH3+])Cc1nc2ccccc2n1[*:1]
CCCn1c(C[C@H]([NH3+])c2cnn(C)c2)nc2ccccc21 Cn1cc(cn1)[*:1] CCCn1c(C[C@H]([NH3+])[*:1])nc2ccccc21
Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1Cl Clc1ccc(c(Cl)c1)[*:1] Cc1cc(ccc1Cl)OCC(=O)NNC(=O)[C@@H](C)O[*:1]
Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1Cl Cc1cc(ccc1Cl)O[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C[*:1]
Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1Cl Clc1ccc(O[*:1])c(Cl)c1 Cc1cc(ccc1Cl)OCC(=O)NNC(=O)[C@@H](C)[*:1]
Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1Cl Cc1cc(ccc1Cl)[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CO[*:1]
Cc1ccnc(Oc2ccc([N+](=O)[O-])cc2Br)n1 O=[N+]([O-])[*:1] Cc1ccnc(n1)Oc1ccc(cc1Br)[*:1]
Fc1ccc2c(Cl)cc(-c3ccccc3)nc2c1F c1ccc(cc1)[*:1] Fc1ccc2c(Cl)cc(nc2c1F)[*:1]
CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(OCC)cc2)s1 CCOc1ccc(cc1)[*:1] CCCc1nnc(s1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1[*:1]
CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(OCC)cc2)s1 CCC[*:1] CCOc1ccc(cc1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1c1nnc(s1)[*:1]
CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(OCC)cc2)s1 CCCc1nnc(s1)[*:1] CCOc1ccc(cc1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(OCC)cc2)s1 CCO[*:1] CCCc1nnc(s1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(cc1)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1 c1cc(no1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N1CCN(CC1)C[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1 c1cc(C[*:1])no1 C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N1CCN(CC1)[*:1]
C[C@H](Sc1nc(CNc2ccccc2)n[nH]1)C(=O)Nc1cccc(Cl)c1 c1ccc(cc1)N[*:1] C[C@H](Sc1nc(C[*:1])n[nH]1)C(=O)Nc1cccc(Cl)c1
C[C@H](Sc1nc(CNc2ccccc2)n[nH]1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](Sc1nc(CNc2ccccc2)n[nH]1)C(=O)N[*:1]
C[C@H](Sc1nc(CNc2ccccc2)n[nH]1)C(=O)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] C[C@H](Sc1nc(CN[*:1])n[nH]1)C(=O)Nc1cccc(Cl)c1
C[C@H](Sc1nc(CNc2ccccc2)n[nH]1)C(=O)Nc1cccc(Cl)c1 c1ccc(cc1)NC[*:1] C[C@H](Sc1nc(n[nH]1)[*:1])C(=O)Nc1cccc(Cl)c1
Oc1ccc(CN(Cc2ccco2)Cc2nnnn2-c2ccccc2)cc1 Oc1ccc(cc1)C[*:1] c1ccc(cc1)-n1nnnc1CN(Cc1ccco1)[*:1]
Oc1ccc(CN(Cc2ccco2)Cc2nnnn2-c2ccccc2)cc1 Oc1ccc(cc1)[*:1] c1ccc(cc1)-n1nnnc1CN(Cc1ccco1)C[*:1]
Oc1ccc(CN(Cc2ccco2)Cc2nnnn2-c2ccccc2)cc1 c1coc(c1)[*:1] Oc1ccc(cc1)CN(Cc1nnnn1-c1ccccc1)C[*:1]
Oc1ccc(CN(Cc2ccco2)Cc2nnnn2-c2ccccc2)cc1 c1coc(c1)C[*:1] Oc1ccc(cc1)CN(Cc1nnnn1-c1ccccc1)[*:1]
Oc1ccc(CN(Cc2ccco2)Cc2nnnn2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Oc1ccc(cc1)CN(Cc1ccco1)Cc1nnnn1[*:1]
Cc1cc(Br)cnc1[C@@H](C)[C@@H](C)Cl C[C@@H](Cl)[*:1] Cc1cc(Br)cnc1[C@@H](C)[*:1]
C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 C[C@@H](C[*:1])C1CC1 C[C@H](NC(=O)[*:1])c1ccc(cc1)-n1cc(nn1)C(N)=O
C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 C1CC1[*:1] C[C@H](NC(=O)C[C@H](C)[*:1])c1ccc(cc1)-n1cc(nn1)C(N)=O
C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 NC(=O)[*:1] C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccc(cc1)-n1cc(nn1)[*:1]
C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 NC(=O)c1cn(nn1)[*:1] C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 C[C@H](C1CC1)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-n1cc(nn1)C(N)=O
CC(C)[C@@H](CO)NC(=O)NCC1(c2ccc(Cl)cc2)CC1 CC(C)[C@@H](CO)[*:1] O=C(NCC1(CC1)c1ccc(Cl)cc1)N[*:1]
CC(C)[C@@H](CO)NC(=O)NCC1(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC(C)[C@@H](CO)NC(=O)NCC1(CC1)[*:1]
CC(C)[C@@H](CO)NC(=O)NCC1(c2ccc(Cl)cc2)CC1 CC(C)[*:1] O=C(NCC1(CC1)c1ccc(Cl)cc1)N[C@H](CO)[*:1]
CN(C)c1cccc2c(S(=O)(=O)N3CC3)cccc12 O=S(=O)(N1CC1)[*:1] CN(C)c1cccc2c(cccc12)[*:1]
CN(C)c1cccc2c(S(=O)(=O)N3CC3)cccc12 CN(C)[*:1] O=S(=O)(c1cccc2c(cccc12)[*:1])N1CC1
O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(CCS(=O)(=O)c1ccc2OCCOc2c1)N[*:1]
CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccccc21 CS(=O)(=O)N[*:1] c1ccc2c(c1)SCC[C@H]2[NH2+]C[C@@H]1CCC[C@H]1[*:1]
COc1ccc2cc([C@@H]3CN(c4nccc(C)n4)CCO3)ccc2c1 Cc1ccnc(n1)[*:1] COc1ccc2cc(ccc2c1)[C@@H]1CN(CCO1)[*:1]
O=C(Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)NS(=O)(=O)C=C[*:1])N1CCOCC1
O=C(Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)(/C=C/c1ccccc1)Nc1ccc(cc1)C[*:1]
O=C(Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=S(=O)(/C=C/c1ccccc1)Nc1ccc(cc1)[*:1]
O=C(Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)N1CCOCC1 C(=C[*:1])c1ccccc1 O=C(Cc1ccc(cc1)NS(=O)(=O)[*:1])N1CCOCC1
CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@@H]1C c1ccc(cc1)[*:1] CC(=O)N1c2ccccc2[C@H](C[C@@H]1C)N(C(=O)[*:1])c1ccccc1
CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@@H]1C c1ccc(cc1)[*:1] CC(=O)N1c2ccccc2[C@H](C[C@@H]1C)N(C(=O)c1ccccc1)[*:1]
CC(=O)N1CC[C@H](C(=O)NCC(C)(C)c2ccncc2)C1 c1cc(ccn1)[*:1] CC(=O)N1CC[C@@H](C1)C(=O)NCC(C)(C)[*:1]
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc2OCC(=O)Nc2c1
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1ccc2OCC(=O)Nc2c1)[*:1]
COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4cccc(Cl)c4)C3)n2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4cccc(Cl)c4)C3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)N1CCC[C@H](C1)c1nc(no1)[*:1]
C[C@@H](CC(=O)OC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1 FC(F)(F)[*:1] C[C@@H](CC(=O)OC1CCN(CC1)C[*:1])c1ccc(F)cc1
C[C@@H](CC(=O)OC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CC(=O)OC1CCN(CC1)CC(F)(F)F)[*:1]
C[C@@H](CC(=O)OC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1 FC(F)(F)C[*:1] C[C@@H](CC(=O)OC1CCN(CC1)[*:1])c1ccc(F)cc1
O=C([O-])c1cc(-c2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C([O-])c1cc(cc(c1)[*:1])-c1cc(Cl)ccc1Cl
O=C([O-])c1cc(-c2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1 O=C([O-])[*:1] O=[N+]([O-])c1cc(cc(c1)[*:1])-c1cc(Cl)ccc1Cl
CCCCN(C)C(=O)Nc1cccc(Cl)c1 CCC[*:1] CN(C[*:1])C(=O)Nc1cccc(Cl)c1
CCCCN(C)C(=O)Nc1cccc(Cl)c1 CCCC[*:1] CN(C(=O)Nc1cccc(Cl)c1)[*:1]
Cn1ncnc1CCNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 Cn1ncnc1CC[*:1] O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)N[*:1]
Cn1ncnc1CCNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ncnc1CCNC(=O)Nc1ccc(F)cc1[*:1]
Cn1ncnc1CCNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 Cn1ncnc1C[*:1] O=C(NC[*:1])Nc1ccc(F)cc1-c1ccc(F)cc1
Cn1ncnc1CCNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 Cn1ncnc1[*:1] O=C(NCC[*:1])Nc1ccc(F)cc1-c1ccc(F)cc1
CCc1cccc(CC)c1NC(=O)C[S@](=O)Cc1cc(C)no1 Cc1cc(on1)[*:1] CCc1cccc(CC)c1NC(=O)C[S@](=O)C[*:1]
CCc1cccc(CC)c1NC(=O)C[S@](=O)Cc1cc(C)no1 Cc1cc(C[*:1])on1 CCc1cccc(CC)c1NC(=O)C[S@](=O)[*:1]
Cc1cccc2sc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc12 O=[N+]([O-])[*:1] Cc1cccc2sc(nc12)NC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
NC(=O)C1([NH2+]CC(=O)Nc2ccccc2N2CCCC2=O)CCCCC1 NC(=O)[*:1] O=C(C[NH2+]C1(CCCCC1)[*:1])Nc1ccccc1N1CCCC1=O
NC(=O)C1([NH2+]CC(=O)Nc2ccccc2N2CCCC2=O)CCCCC1 O=C1CCCN1[*:1] NC(=O)C1(CCCCC1)[NH2+]CC(=O)Nc1ccccc1[*:1]
COCCn1ccc2ccc(NC(=O)CSc3nnnn3C)cc21 COCC[*:1] Cn1nnnc1SCC(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)CSc3nnnn3C)cc21 Cn1nnnc1S[*:1] COCCn1ccc2ccc(cc21)NC(=O)C[*:1]
COCCn1ccc2ccc(NC(=O)CSc3nnnn3C)cc21 Cn1nnnc1[*:1] COCCn1ccc2ccc(cc21)NC(=O)CS[*:1]
COCCn1ccc2ccc(NC(=O)CSc3nnnn3C)cc21 COC[*:1] Cn1nnnc1SCC(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)CSc3nnnn3C)cc21 Cn1nnnc1SC[*:1] COCCn1ccc2ccc(cc21)NC(=O)[*:1]
COC(=O)Cc1c(O)n[nH]c1C COC(=O)[*:1] Cc1[nH]nc(O)c1C[*:1]
CCCC[C@H](CC)[NH2+]CC1CCS(=O)(=O)CC1 CCC[*:1] CC[C@@H](C[*:1])[NH2+]CC1CCS(=O)(=O)CC1
CCCC[C@H](CC)[NH2+]CC1CCS(=O)(=O)CC1 CCCC[*:1] CC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)[*:1]
COC(=O)c1cccc(CS(=O)(=O)NC2(C#N)CC2)c1 COC(=O)[*:1] N#CC1(CC1)NS(=O)(=O)Cc1cccc(c1)[*:1]
COC(=O)c1cccc(CS(=O)(=O)NC2(C#N)CC2)c1 N#CC1(CC1)[*:1] COC(=O)c1cccc(c1)CS(=O)(=O)N[*:1]
Cn1cc(CN2CCCN(c3ncccn3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cn1cc(CN2CCCN(CC2)c2ncccn2)c(n1)-c1ccc(cc1)[*:1]
Cn1cc(CN2CCCN(c3ncccn3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])c1ccc(cc1)[*:1] Cn1cc(CN2CCCN(CC2)c2ncccn2)c(n1)[*:1]
Cn1cc(CN2CCCN(c3ncccn3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 c1cnc(nc1)[*:1] Cn1cc(CN2CCCN(CC2)[*:1])c(n1)-c1ccc(cc1)[N+](=O)[O-]
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc(-c2ccc(F)cc2)cc1=O Fc1ccc(cc1)[*:1] N#Cc1cc(ccc1NC(=O)Cn1cnc(cc1=O)[*:1])[N+](=O)[O-]
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc(-c2ccc(F)cc2)cc1=O O=[N+]([O-])[*:1] N#Cc1cc(ccc1NC(=O)Cn1cnc(cc1=O)-c1ccc(F)cc1)[*:1]
CCNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 CCNC(=O)[*:1] O=C(CC1(CCCCC1)C[*:1])Nc1nccs1
CCNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 c1csc(n1)[*:1] CCNC(=O)CC1(CCCCC1)CC(=O)N[*:1]
CCNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 CCNC(=O)C[*:1] O=C(CC1(CCCCC1)[*:1])Nc1nccs1
Cn1cccc(C(=O)N2CCC(CNC(=O)c3cnc4ccccc4n3)CC2)c1=O c1ccc2nc(cnc2c1)[*:1] Cn1cccc(C(=O)N2CCC(CC2)CNC(=O)[*:1])c1=O
Cn1cccc(C(=O)N2CCC(CNC(=O)c3cnc4ccccc4n3)CC2)c1=O Cn1cccc(c1=O)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1cnc2ccccc2n1
O=C1C(C2=N[C@H](C(=O)[O-])[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)=C([O-])c2ccccc21 c1ccc(cc1)[*:1] O=C1C(C2=N[C@H](C(=O)[O-])[C@H]3C(=O)N(C(=O)[C@H]23)[*:1])=C([O-])c2ccccc21
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc2c(F)cccc2[nH]1 c1coc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1cc2c(F)cccc2[nH]1
Cc1nsc(N2CCC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)n1 Cc1nsc(n1)[*:1] O=c1[nH]c2ccccc2cc1C[NH+]1CCCN(CC1)[*:1]
O=C(Nc1cccc(NC(=O)c2cccnc2Cl)c1)c1ccccc1 Clc1ncccc1[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1ccccc1
O=C(Nc1cccc(NC(=O)c2cccnc2Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1cccnc1Cl
CCCN(C)C(=O)c1coc(COc2ccc(C)cc2OC)n1 CCC[*:1] COc1cc(C)ccc1OCc1nc(co1)C(=O)N(C)[*:1]
CCCN(C)C(=O)c1coc(COc2ccc(C)cc2OC)n1 CCCN(C)C(=O)[*:1] COc1cc(C)ccc1OCc1nc(co1)[*:1]
N#CC1(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)CCCCC1 NC(=O)[*:1] N#CC1(CCCCC1)C(=O)N1CC[C@@H](c2ccccc21)[*:1]
Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)c2c1C Fc1ccc(cc1)[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCc2nc3ccccc3s2)c1 c1ccc2sc(nc2c1)[*:1] Cc1ccc(C)c(c1)NC(=O)CN(C)C(=O)CC[*:1]
Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCc2nc3ccccc3s2)c1 Cc1ccc(C)c(c1)[*:1] CN(CC(=O)N[*:1])C(=O)CCc1nc2ccccc2s1
C[C@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccccc2S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)C(=O)Nc1ccccc1[*:1]
Cn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccncc1 c1cc(ccn1)[*:1] Cn1c(nnc1[*:1])SCn1nnc2ccccc2c1=O
C[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 O=[N+]([O-])[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)Cc1ccc(cc1Cl)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1CCC[C@@H](C)C1 C[C@@H]1CCC[C@H](C1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N[*:1]
Cc1ncsc1CNC(=O)[C@H](C)c1ccsc1 c1cc(cs1)[*:1] Cc1ncsc1CNC(=O)[C@H](C)[*:1]
C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(cc1)[*:1]
C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 Clc1cccc(c1)[*:1] C[C@H](N(C)C(=O)NCc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1cccc(C)c1C[NH2+][C@@H](C)CCN1CCOCC1 C1CN(CCO1)[*:1] Cc1cccc(C)c1C[NH2+][C@@H](C)CC[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)N1C[C@H](C)O[C@H](C)C1 CC[C@H](C)C[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)N[C@H](C)[*:1]
CC[C@H](C)C[C@@H](C)NC(=O)N1C[C@H](C)O[C@H](C)C1 CC[C@H](C)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)N[C@H](C)C[*:1]
CC1=C[C@@H]([C@@H]2NN[C@H](S)N2/N=C/C(C)=C/c2ccccc2)N=N1 c1ccc(cc1)[*:1] CC1=C[C@H](N=N1)[C@@H]1NN[C@H](S)N1/N=C/C(/C)=C[*:1]
CN(C)/C=C/C(=C(\C#N)C(N)=O)c1ccc(Cl)cc1 CN(C)C=C[*:1] N#C/C(C(N)=O)=C(/c1ccc(Cl)cc1)[*:1]
CN(C)/C=C/C(=C(\C#N)C(N)=O)c1ccc(Cl)cc1 CN(C)[*:1] N#C/C(C(N)=O)=C(\C=C[*:1])c1ccc(Cl)cc1
CN(C)/C=C/C(=C(\C#N)C(N)=O)c1ccc(Cl)cc1 NC(=O)[*:1] CN(C)/C=C/C(=C(C#N)[*:1])/c1ccc(Cl)cc1
O=C([O-])[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C([O-])[C@@H]1CCCCC[C@@H]1NS(=O)(=O)[*:1]
O=C([O-])[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1 O=C([O-])[*:1] O=S(=O)(N[C@H]1CCCCC[C@H]1[*:1])c1cccc(F)c1
CCC(=O)N[C@H]1C[C@@H](C(=O)OC)N(Cc2cc(C)c(OC)cc2C)C1 CCC(=O)N[*:1] COC(=O)[C@@H]1C[C@@H](CN1Cc1cc(C)c(cc1C)OC)[*:1]
CCC(=O)N[C@H]1C[C@@H](C(=O)OC)N(Cc2cc(C)c(OC)cc2C)C1 COC(=O)[*:1] CCC(=O)N[C@H]1C[C@@H](N(Cc2cc(C)c(cc2C)OC)C1)[*:1]
CC[C@@H](CO)N1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 c1csc(c1)[*:1] CC[C@@H](CO)N1CC[NH+](CC1)Cc1coc(n1)[*:1]
CC[C@@H](CO)N1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 CC[C@@H](CO)[*:1] c1csc(c1)-c1nc(co1)C[NH+]1CCN(CC1)[*:1]
O=C(NC[C@@H](O)c1cccs1)Nc1ccc(Cl)c(F)c1 c1csc(c1)[*:1] O=C(NC[C@@H](O)[*:1])Nc1ccc(Cl)c(F)c1
Cc1cccc([C@H]2C=NN=C2[C@@H]2CCCN(Cc3cccc(F)c3F)C2)c1 Cc1cccc(c1)[*:1] Fc1cccc(CN2CCC[C@H](C2)C2=NN=C[C@@H]2[*:1])c1F
Cc1cccc([C@H]2C=NN=C2[C@@H]2CCCN(Cc3cccc(F)c3F)C2)c1 Fc1cccc(C[*:1])c1F Cc1cccc(c1)[C@H]1C=NN=C1[C@@H]1CCCN(C1)[*:1]
Cc1cccc([C@H]2C=NN=C2[C@@H]2CCCN(Cc3cccc(F)c3F)C2)c1 Fc1cccc(c1F)[*:1] Cc1cccc(c1)[C@H]1C=NN=C1[C@@H]1CCCN(C1)C[*:1]
COC(CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl)OC COC(C[*:1])OC O=C([O-])c1c(Cl)ccc(c1Cl)S(=O)(=O)N[*:1]
COC(CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl)OC COC(OC)[*:1] O=C([O-])c1c(Cl)ccc(c1Cl)S(=O)(=O)NC[*:1]
COC(CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl)OC O=C([O-])[*:1] COC(CNS(=O)(=O)c1ccc(Cl)c(c1Cl)[*:1])OC
CN(CCC#N)C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 N#CCC[*:1] CN(C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)[*:1]
CN(CCC#N)C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 CN(CCC#N)C(=O)C[*:1] Fc1ccccc1-c1nnc(S[*:1])n1-c1ccccc1
CN(CCC#N)C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 c1ccc(cc1)[*:1] CN(CCC#N)C(=O)CSc1nnc(-c2ccccc2F)n1[*:1]
CN(CCC#N)C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 Fc1ccccc1[*:1] CN(CCC#N)C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
CN(CCC#N)C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 CN(CCC#N)C(=O)[*:1] Fc1ccccc1-c1nnc(SC[*:1])n1-c1ccccc1
CN(CCC#N)C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 N#CC[*:1] CN(C[*:1])C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1
C[C@H](NC(=O)c1ccc(Cl)nc1)c1cccc2ccccc12 Clc1ccc(cn1)[*:1] C[C@H](NC(=O)[*:1])c1cccc2ccccc12
CC(C)(C)c1nc2cc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])ccc2o1 CC(C)(C)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])[C@H]1C[C@H]1[N+](=O)[O-]
CC(C)(C)c1nc2cc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])ccc2o1 O=[N+]([O-])[*:1] CC(C)(C)c1nc2cc(ccc2o1)NC(=O)[C@H]1C[C@@H]1[*:1]
CCC[C@@H](C)NC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1 CCC[C@@H](C)NC(=O)[*:1] CC(=O)Oc1ccc(cc1)-c1ccc(cc1)[*:1]
CCC[C@@H](C)NC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1 CCC[*:1] CC(=O)Oc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1 CC(=O)O[*:1] CCC[C@@H](C)NC(=O)c1ccc(cc1)-c1ccc(cc1)[*:1]
CCC[C@@H](C)NC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1 CCC[C@@H](C)[*:1] CC(=O)Oc1ccc(cc1)-c1ccc(cc1)C(=O)N[*:1]
COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCCC3)CC2)cc1F O=C(NC1CCCCC1)[*:1] COc1ccc(cc1F)C[NH+]1CCN(CC1)[C@@H](C)[*:1]
COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCCC3)CC2)cc1F COc1ccc(cc1F)[*:1] C[C@@H](C(=O)NC1CCCCC1)N1CC[NH+](CC1)C[*:1]
COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCCC3)CC2)cc1F C1CCC(CC1)[*:1] COc1ccc(cc1F)C[NH+]1CCN(CC1)[C@@H](C)C(=O)N[*:1]
COC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC(F)(F)F)C1 FC(F)(F)CO[*:1] COC(=O)[C@@]1(CCC[C@@H](C1)[*:1])[NH2+]C1CC1
COC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC(F)(F)F)C1 COC(=O)[*:1] FC(F)(F)CO[C@@H]1CCC[C@](C1)([NH2+]C1CC1)[*:1]
COC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC(F)(F)F)C1 C1CC1[*:1] COC(=O)[C@@]1(CCC[C@H](C1)OCC(F)(F)F)[NH2+][*:1]
COC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC(F)(F)F)C1 FC(F)(F)[*:1] COC(=O)[C@@]1(CCC[C@H](C1)OC[*:1])[NH2+]C1CC1
COC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](OCC(F)(F)F)C1 FC(F)(F)C[*:1] COC(=O)[C@@]1(CCC[C@H](C1)O[*:1])[NH2+]C1CC1
CCOC(=O)[C@@H]1[C@H](c2cccnc2)NC(=O)N[C@@]1(O)C(F)(F)F c1cncc(c1)[*:1] CCOC(=O)[C@@H]1[C@H](NC(=O)N[C@@]1(O)C(F)(F)F)[*:1]
CCOC(=O)[C@@H]1[C@H](c2cccnc2)NC(=O)N[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@@H]1[C@@H](NC(=O)N[C@]1(O)[*:1])c1cccnc1
CCOC(=O)[C@@H]1[C@H](c2cccnc2)NC(=O)N[C@@]1(O)C(F)(F)F CCOC(=O)[*:1] O=C1N[C@@H](c2cccnc2)[C@H]([C@@](O)(N1)C(F)(F)F)[*:1]
O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1CC1CCCCC1 Fc1ccc(cc1)C[*:1] O=C1CC[C@@H](CC[NH2+][*:1])N1CC1CCCCC1
O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1CC1CCCCC1 Fc1ccc(cc1)[*:1] O=C1CC[C@@H](CC[NH2+]C[*:1])N1CC1CCCCC1
O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1CC1CCCCC1 C1CCC(CC1)C[*:1] O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1[*:1]
O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1CC1CCCCC1 C1CCC(CC1)[*:1] O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1C[*:1]
Cc1cc(Br)ccc1SCC(=O)N[C@@](C)(C(N)=O)c1ccccc1 NC(=O)[*:1] Cc1cc(Br)ccc1SCC(=O)N[C@@](C)(c1ccccc1)[*:1]
Cc1cc(Br)ccc1SCC(=O)N[C@@](C)(C(N)=O)c1ccccc1 Cc1cc(Br)ccc1[*:1] C[C@](NC(=O)CS[*:1])(C(N)=O)c1ccccc1
Cc1cc(Br)ccc1SCC(=O)N[C@@](C)(C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Br)ccc1SCC(=O)N[C@@](C)(C(N)=O)[*:1]
COCc1cc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)no1 COC[*:1] CC(C)(C)[S@@](=O)Cc1cccc(c1)NC(=O)c1cc(on1)[*:1]
COCc1cc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)no1 COCc1cc(no1)[*:1] CC(C)(C)[S@@](=O)Cc1cccc(c1)NC(=O)[*:1]
COCc1cc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)no1 CC(C)(C)[*:1] COCc1cc(no1)C(=O)Nc1cccc(c1)C[S@](=O)[*:1]
Cn1cc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cn1 Cn1cc(cn1)[*:1] O=C(CNC(=O)c1ccc(cc1)Oc1ccccc1)N[*:1]
Cn1cc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)NC(=O)CNC(=O)c1ccc(cc1)O[*:1]
Cn1cc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cn1 c1ccc(cc1)O[*:1] Cn1cc(cn1)NC(=O)CNC(=O)c1ccc(cc1)[*:1]
Cc1noc(-c2ccc(C(=O)NCc3ccnc(OC4CCC4)c3)cc2)n1 Cc1noc(n1)[*:1] O=C(NCc1ccnc(c1)OC1CCC1)c1ccc(cc1)[*:1]
Cc1noc(-c2ccc(C(=O)NCc3ccnc(OC4CCC4)c3)cc2)n1 C1CC(C1)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NCc1ccnc(c1)O[*:1]
Cc1noc(-c2ccc(C(=O)NCc3ccnc(OC4CCC4)c3)cc2)n1 C1CC(C1)O[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)NCc1ccnc(c1)[*:1]
COc1cc(NC(=O)N[C@H](CO)C(C)C)c(OC)cc1Cl CC(C)[C@@H](CO)[*:1] COc1cc(NC(=O)N[*:1])c(cc1Cl)OC
COc1cc(NC(=O)N[C@H](CO)C(C)C)c(OC)cc1Cl CC(C)[*:1] COc1cc(NC(=O)N[C@H](CO)[*:1])c(cc1Cl)OC
CC[C@H]1C[NH2+][C@H](C(C)C)CN1C1C(C)(C)C1(C)C CC(C)[*:1] CC[C@H]1C[NH2+][C@H](CN1C1C(C)(C)C1(C)C)[*:1]
CCc1ccsc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 Cn1ccnc1[*:1] CCc1ccsc1C(=O)Nc1ccc(cc1)C(=O)[*:1]
CCc1ccsc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 Cn1ccnc1C(=O)[*:1] CCc1ccsc1C(=O)Nc1ccc(cc1)[*:1]
CCc1ccsc1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 CCc1ccsc1[*:1] Cn1ccnc1C(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)[C@@H](C(=O)Nc1cnc2ccccc2n1)N1CCCC1=O CC(C)[*:1] O=C(Nc1cnc2ccccc2n1)[C@@H](N1CCCC1=O)[*:1]
CC(C)[C@@H](C(=O)Nc1cnc2ccccc2n1)N1CCCC1=O O=C1CCCN1[*:1] CC(C)[C@@H](C(=O)Nc1cnc2ccccc2n1)[*:1]
C/C(=C\c1ccccc1)C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 c1ccc(cc1)[*:1] C/C(=C\c1ccccc1)C[NH2+][C@@H](CN1CC[NH+](C)CC1)[*:1]
C/C(=C\c1ccccc1)C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(=C[*:1])C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1
COc1ccc(C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C[C@H](C)[NH+]1CCN(CC1)[*:1]
COc1ccc(C)cc1NC(=O)COc1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccc(C)cc1NC(=O)CO[*:1]
Cc1cnc(Cl)nc1SCCCO OCCC[*:1] Cc1cnc(Cl)nc1S[*:1]
Cc1cnc(Cl)nc1SCCCO OCC[*:1] Cc1cnc(Cl)nc1SC[*:1]
CCCc1nnc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)o2)s1 CCC[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(o1)S(=O)(=O)c1ccc(Cl)cc1
CCCc1nnc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)o2)s1 Clc1ccc(cc1)[*:1] CCCc1nnc(NC(=O)c2ccc(o2)S(=O)(=O)[*:1])s1
CCCc1nnc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)o2)s1 CCCc1nnc(s1)[*:1] O=C(N[*:1])c1ccc(o1)S(=O)(=O)c1ccc(Cl)cc1
CN(CC[C@@H](O)c1cc(F)cc(F)c1)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CN(CC[C@@H](O)c1cc(F)cc(F)c1)[*:1]
C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)s1 N#CC[*:1] C[C@H](N[C@H](C[*:1])c1ccccc1)c1ccc(Cl)s1
C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)s1 N#CCC[*:1] C[C@H](N[C@H](c1ccccc1)[*:1])c1ccc(Cl)s1
C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)s1 c1ccc(cc1)[*:1] C[C@H](N[C@H](CCC#N)[*:1])c1ccc(Cl)s1
C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](N[C@H](CCC#N)c1ccccc1)[*:1]
O=[N+]([O-])c1ccc2c(c1)N(Cn1ncc3cc([N+](=O)[O-])ccc31)CC2 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc2c(cnn2CN2CCc3ccc(cc32)[*:1])c1
O=[N+]([O-])c1ccc2c(c1)N(Cn1ncc3cc([N+](=O)[O-])ccc31)CC2 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc2CCN(Cn3ncc4cc(ccc43)[*:1])c2c1
CS(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 CS(=O)(=O)[*:1] O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(c1)[*:1]
C#CCNCCSc1cc2ccccc2[nH]1 C#CCN[*:1] c1ccc2[nH]c(cc2c1)SCC[*:1]
C#CCNCCSc1cc2ccccc2[nH]1 C#CC[*:1] c1ccc2[nH]c(cc2c1)SCCN[*:1]
C#CCNCCSc1cc2ccccc2[nH]1 C#CCNC[*:1] c1ccc2[nH]c(cc2c1)SC[*:1]
CC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@H](C[*:1])C(=O)[O-]
CC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@H](Cc1ccccc1)[*:1]
CC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] c1ccc(cc1)C[*:1] CC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@H](C(=O)[O-])[*:1]
CC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H](Cc1ccccc1)NC(=O)N1c2ccccc2NC(=O)[C@H]1[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 Fc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)CSc1nnc(o1)[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 CN(C)S(=O)(=O)[*:1] O=C(CSc1nnc(o1)-c1ccc(F)cc1)Nc1ccc(cc1)[*:1]
CCN(CC)c1[nH+]c(=O)c2cc(NC(=O)COC)ccc2s1 COCC(=O)N[*:1] CCN(CC)c1[nH+]c(=O)c2cc(ccc2s1)[*:1]
CCN(CC)c1[nH+]c(=O)c2cc(NC(=O)COC)ccc2s1 COC[*:1] CCN(CC)c1[nH+]c(=O)c2cc(ccc2s1)NC(=O)[*:1]
CCN(CC)c1[nH+]c(=O)c2cc(NC(=O)COC)ccc2s1 CCN(CC)[*:1] COCC(=O)Nc1ccc2sc([nH+]c(=O)c2c1)[*:1]
COC(=O)CC1CCN(C(=O)c2cc3ccccc3n2C)CC1 COC(=O)C[*:1] Cn1c(cc2ccccc21)C(=O)N1CCC(CC1)[*:1]
COC(=O)CC1CCN(C(=O)c2cc3ccccc3n2C)CC1 COC(=O)[*:1] Cn1c(cc2ccccc21)C(=O)N1CCC(CC1)C[*:1]
CC[C@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)CC1 Cc1ccc(C)c(c1)[*:1] CC[C@H](C)NC(=O)C1(CC1)c1ccc(cc1)NS(=O)(=O)[*:1]
CCC[NH2+][C@H](CSC)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CCC[*:1] CSC[C@@H]([NH2+][*:1])[C@H]1CCC[C@@H](C1)S(C)(=O)=O
CCC[NH2+][C@H](CSC)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CSC[*:1] CCC[NH2+][C@H]([C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CCC[NH2+][C@H](CSC)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCC[NH2+][C@H](CSC)[C@H]1CCC[C@H](C1)[*:1]
CCc1ccsc1CNS(=O)(=O)Cc1cccc2cccnc12 CCc1ccsc1[*:1] O=S(=O)(Cc1cccc2cccnc12)NC[*:1]
CNC(=O)c1cccc(CNc2ccccc2Cc2ccccc2)c1 c1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)CNc1ccccc1C[*:1]
CNC(=O)c1cccc(CNc2ccccc2Cc2ccccc2)c1 CNC(=O)[*:1] c1ccc(cc1)Cc1ccccc1NCc1cccc(c1)[*:1]
CNC(=O)c1cccc(CNc2ccccc2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CNC(=O)c1cccc(c1)CNc1ccccc1[*:1]
O=C([C@@H]1CC=CCC1)N1CCN(CCn2cc[nH+]c2-c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1CC=CCC1)N1CCN(CC1)CCn1cc[nH+]c1[*:1]
O=C(NNc1cccc([N+](=O)[O-])c1)c1cccc(-c2ccoc2)c1 O=[N+]([O-])[*:1] O=C(NNc1cccc(c1)[*:1])c1cccc(c1)-c1ccoc1
O=C(NNc1cccc([N+](=O)[O-])c1)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] O=C(NNc1cccc(c1)[N+](=O)[O-])c1cccc(c1)[*:1]
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3nnnn32)ccc1O CCOc1cc(ccc1O)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2[*:1]
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3nnnn32)ccc1O CCO[*:1] COc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc(O)c(c1)[*:1]
CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3nnnn32)ccc1O COc1ccc(cc1)[*:1] CCOc1cc(ccc1O)[C@@H]1C2C(=O)C[C@@H](CC=2Nc2nnnn21)[*:1]
COc1ccc([C@@H](N)C[NH3+])cc1OC(C)C CC(C)O[*:1] COc1ccc(cc1[*:1])[C@@H](N)C[NH3+]
COc1ccc([C@@H](N)C[NH3+])cc1OC(C)C CC(C)[*:1] COc1ccc(cc1O[*:1])[C@@H](N)C[NH3+]
CCCC(=O)N[C@@H]1CCCN(c2c(C#N)cnc3c(C)cc(C)cc23)C1 CCC[*:1] Cc1cc(C)c2ncc(C#N)c(c2c1)N1CCC[C@H](C1)NC(=O)[*:1]
CCCC(=O)N[C@@H]1CCCN(c2c(C#N)cnc3c(C)cc(C)cc23)C1 CCCC(=O)N[*:1] Cc1cc(C)c2ncc(C#N)c(c2c1)N1CCC[C@H](C1)[*:1]
N#Cc1ccc(N2CCC(NC(=O)NOC3CCCC3)CC2)nc1 C1CCC(C1)[*:1] N#Cc1ccc(nc1)N1CCC(CC1)NC(=O)NO[*:1]
N#Cc1ccc(N2CCC(NC(=O)NOC3CCCC3)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(NOC1CCCC1)NC1CCN(CC1)[*:1]
Cc1cccc(N2CCN(C(=O)c3cccc(NC(=O)c4ccco4)c3)CC2)c1 Cc1cccc(c1)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCN(CC1)[*:1])c1ccco1
Cc1cccc(N2CCN(C(=O)c3cccc(NC(=O)c4ccco4)c3)CC2)c1 O=C(N[*:1])c1ccco1 Cc1cccc(c1)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
Cc1cccc(N2CCN(C(=O)c3cccc(NC(=O)c4ccco4)c3)CC2)c1 c1coc(c1)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)c1cccc(c1)NC(=O)[*:1]
CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C(C)(C)C CC(C)(C)[*:1] CC[NH2+][C@@H](c1cc(F)cc(Br)c1)[*:1]
Cc1ccc(Cl)c(OCC(=O)N(Cc2ccccc2)C(C)C)c1 c1ccc(cc1)C[*:1] Cc1ccc(Cl)c(c1)OCC(=O)N(C(C)C)[*:1]
Cc1ccc(Cl)c(OCC(=O)N(Cc2ccccc2)C(C)C)c1 CC(C)[*:1] Cc1ccc(Cl)c(c1)OCC(=O)N(Cc1ccccc1)[*:1]
Cc1ccc(Cl)c(OCC(=O)N(Cc2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] Cc1ccc(Cl)c(c1)OCC(=O)N(C[*:1])C(C)C
COC(=O)c1c(NC(=O)Cn2nc(C(C)(C)C)ccc2=O)sc2c1CC[C@H](C)C2 COC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)Cn1nc(ccc1=O)C(C)(C)C)c2[*:1]
COC(=O)c1c(NC(=O)Cn2nc(C(C)(C)C)ccc2=O)sc2c1CC[C@H](C)C2 CC(C)(C)[*:1] COC(=O)c1c(NC(=O)Cn2nc(ccc2=O)[*:1])sc2C[C@@H](C)CCc21
O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccccc1F)N1CCC[C@@H]1[*:1]
O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCC[C@H]1c1cccs1 Fc1ccccc1[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCC[C@H]1c1cccs1
CCCCc1ccc(NC(=O)C(=O)N2CC[S@@](=O)C(C)(C)C2)cc1 CCCC[*:1] CC1(C)CN(CC[S@]1=O)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CCCCc1ccc(NC(=O)C(=O)N2CC[S@@](=O)C(C)(C)C2)cc1 CCC[*:1] CC1(C)CN(CC[S@]1=O)C(=O)C(=O)Nc1ccc(cc1)C[*:1]
CCCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc2c1=O O=[N+]([O-])[*:1] CCCn1c(nc2ccccc2c1=O)SCC(=O)Nc1ccc(Cl)c(c1)[*:1]
CCCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc2c1=O CCC[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
O=[N+]([O-])c1cc(F)ccc1NC[C@@H](c1cccs1)[NH+]1CCCC1 c1csc(c1)[*:1] O=[N+]([O-])c1cc(F)ccc1NC[C@@H]([NH+]1CCCC1)[*:1]
O=[N+]([O-])c1cc(F)ccc1NC[C@@H](c1cccs1)[NH+]1CCCC1 O=[N+]([O-])[*:1] Fc1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(c1)[*:1]
Cc1ccc(OCC(=O)ONC(=O)c2ccc(Cl)cc2)c(Br)c1 Clc1ccc(cc1)[*:1] Cc1ccc(OCC(=O)ONC(=O)[*:1])c(Br)c1
CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(cc1)O[*:1]
CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 CCC[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(cc1)OCc1ccccc1)[*:1]
CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(cc1)OC[*:1]
CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(cc1)[*:1]
Cc1[nH+]ccn1C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1[nH+]ccn1C1(CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1])C(=O)[O-]
Cc1[nH+]ccn1C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 O=C([O-])[*:1] Cc1[nH+]ccn1C1(CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccccc1)[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)c3ccc4c(c3)ncn4-c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CN1CCN(CC1)C(=O)c1ccc2c(c1)ncn2[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)c3ccc4c(c3)ncn4-c3ccccc3)CC2)c1 COc1ccc(OC)c(c1)[*:1] O=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CCN(CC1)C[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)c3ccc4c(c3)ncn4-c3ccccc3)CC2)c1 COc1ccc(OC)c(c1)C[*:1] O=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CCN(CC1)[*:1]
CC[C@@](C)(C#N)NC(=O)CCc1cccc(OC2CCCC2)c1 C1CCC(C1)O[*:1] CC[C@@](C)(C#N)NC(=O)CCc1cccc(c1)[*:1]
CC[C@@](C)(C#N)NC(=O)CCc1cccc(OC2CCCC2)c1 C1CCC(C1)[*:1] CC[C@@](C)(C#N)NC(=O)CCc1cccc(c1)O[*:1]
CC[NH2+]Cc1ccc(COCC)cc1 CCOC[*:1] CC[NH2+]Cc1ccc(cc1)[*:1]
CC[NH2+]Cc1ccc(COCC)cc1 CCO[*:1] CC[NH2+]Cc1ccc(cc1)C[*:1]
CC(C)c1nc(C(=O)N2C[C@@H](O)C[C@@H]2C[NH+](C)C)n[nH]1 CC(C)[*:1] C[NH+](C)C[C@H]1C[C@H](O)CN1C(=O)c1n[nH]c(n1)[*:1]
COc1ccc(C[NH+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cc1O O=C(NC[*:1])C1CCC1 COc1ccc(cc1O)C[NH+]1CCCn2nc(cc2C1)[*:1]
COc1ccc(C[NH+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cc1O COc1ccc(cc1O)[*:1] O=C(NCc1cc2C[NH+](CCCn2n1)C[*:1])C1CCC1
COc1ccc(C[NH+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cc1O O=C(N[*:1])C1CCC1 COc1ccc(cc1O)C[NH+]1CCCn2nc(cc2C1)C[*:1]
COc1ccc(C[NH+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cc1O C1CC(C1)[*:1] COc1ccc(cc1O)C[NH+]1CCCn2nc(cc2C1)CNC(=O)[*:1]
Cc1cccc(-c2noc([C@H](C)NC(=O)c3c(-c4ccccc4Cl)noc3C)n2)c1 Clc1ccccc1[*:1] Cc1cccc(c1)-c1noc(n1)[C@H](C)NC(=O)c1c(noc1C)[*:1]
Cc1cccc(-c2noc([C@H](C)NC(=O)c3c(-c4ccccc4Cl)noc3C)n2)c1 Cc1cccc(c1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)c1nc(no1)[*:1]
C=CCC1=C2CCCC[C@H]2CCC1=O C=CC[*:1] O=C1CC[C@@H]2CCCCC2=C1[*:1]
C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccsc1 c1cc(cs1)[*:1] C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[*:1]
C/C(=N/NC(=O)c1ccccc1O)c1ccc(-n2cnnn2)cc1 Oc1ccccc1[*:1] C/C(=N/NC(=O)[*:1])c1ccc(cc1)-n1cnnn1
C/C(=N/NC(=O)c1ccccc1O)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] C/C(=N/NC(=O)c1ccccc1O)c1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 CC(C)[*:1] C[C@H](NC(=O)N[C@H](c1ccccc1)[*:1])c1nc(no1)C(C)(C)C
CC(C)[C@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 CC(C)(C)[*:1] CC(C)[C@H](NC(=O)N[C@@H](C)c1nc(no1)[*:1])c1ccccc1
CC(C)[C@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)N[C@@H](C)c1nc(no1)C(C)(C)C)[*:1]
CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1C Cc1ccccc1CS[*:1] CCn1c(CNC(=O)c2ccc3OCOc3c2)nnc1[*:1]
CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1C c1cc2OCOc2cc1[*:1] CCn1c(CNC(=O)[*:1])nnc1SCc1ccccc1C
CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1C Cc1ccccc1C[*:1] CCn1c(CNC(=O)c2ccc3OCOc3c2)nnc1S[*:1]
CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1C Cc1ccccc1[*:1] CCn1c(CNC(=O)c2ccc3OCOc3c2)nnc1SC[*:1]
COc1ccc(CNC(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)CNC(=O)N[C@H]1CCN(C1)C[*:1]
COc1ccc(CNC(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc1OC FC(F)(F)C[*:1] COc1ccc(cc1OC)CNC(=O)N[C@H]1CCN(C1)[*:1]
O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1cc(nc2ccccc12)-c1cccnc1)N1CCN(CC1)[*:1]
O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN(c2ncccn2)CC1 c1cncc(c1)[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCN(CC1)c1ncccn1
CNC(=O)c1ccc(CSCC(=O)Nc2cccc(Cl)c2C)cc1 CNC(=O)[*:1] Cc1c(Cl)cccc1NC(=O)CSCc1ccc(cc1)[*:1]
CNC(=O)c1ccc(CSCC(=O)Nc2cccc(Cl)c2C)cc1 Cc1c(Cl)cccc1[*:1] CNC(=O)c1ccc(cc1)CSCC(=O)N[*:1]
CN1C(=O)N[C@H](c2cccs2)C2=C1CN(Cc1ccccn1)C2=O c1csc(c1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)Cc1ccccn1)[*:1]
CN1C(=O)N[C@H](c2cccs2)C2=C1CN(Cc1ccccn1)C2=O c1ccc(C[*:1])nc1 CN1C(=O)N[C@@H](C2C(=O)N(CC=21)[*:1])c1cccs1
CN1C(=O)N[C@H](c2cccs2)C2=C1CN(Cc1ccccn1)C2=O c1ccc(nc1)[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC=21)C[*:1])c1cccs1
COCC[C@@H](C)C(=O)N[C@@H](C)C(=O)OC COCC[*:1] COC(=O)[C@H](C)NC(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)N[C@@H](C)C(=O)OC COC(=O)[*:1] COCC[C@@H](C)C(=O)N[C@@H](C)[*:1]
COCC[C@@H](C)C(=O)N[C@@H](C)C(=O)OC COC[*:1] COC(=O)[C@H](C)NC(=O)[C@H](C)C[*:1]
CCN[C@H](c1c(F)cccc1F)C(OC)OC CCN[*:1] COC(OC)[C@@H](c1c(F)cccc1F)[*:1]
CCN[C@H](c1c(F)cccc1F)C(OC)OC COC(OC)[*:1] CCN[C@H](c1c(F)cccc1F)[*:1]
CC[C@@H]1C(=O)NCCN1C(=O)CCCn1c(C(C)C)nc2ccccc21 CC(C)[*:1] CC[C@@H]1C(=O)NCCN1C(=O)CCCn1c(nc2ccccc21)[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccco2)cc1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)NC(=O)c1ccco1
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 O=C(Nc1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
CC(C)N(CCC#N)C(=O)c1ccncc1/C=C/C(=O)[O-] N#CCC[*:1] CC(C)N(C(=O)c1ccncc1/C=C/C(=O)[O-])[*:1]
CC(C)N(CCC#N)C(=O)c1ccncc1/C=C/C(=O)[O-] O=C([O-])[*:1] CC(C)N(CCC#N)C(=O)c1ccncc1C=C[*:1]
CC(C)N(CCC#N)C(=O)c1ccncc1/C=C/C(=O)[O-] CC(C)[*:1] N#CCCN(C(=O)c1ccncc1/C=C/C(=O)[O-])[*:1]
CC(C)N(CCC#N)C(=O)c1ccncc1/C=C/C(=O)[O-] N#CC[*:1] CC(C)N(C[*:1])C(=O)c1ccncc1/C=C/C(=O)[O-]
CC(C)N(CCC#N)C(=O)c1ccncc1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] CC(C)N(CCC#N)C(=O)c1ccncc1[*:1]
COc1ccc(-c2nonc2NC(=O)c2nc(C)sc2-c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nonc1NC(=O)c1nc(C)sc1[*:1]
COc1ccc(-c2nonc2NC(=O)c2nc(C)sc2-c2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] Cc1nc(C(=O)Nc2nonc2[*:1])c(s1)-c1ccccc1
CCOC(=O)N1CCN(c2ncnc(NC3CCCCC3)c2[N+](=O)[O-])CC1 C1CCC(CC1)N[*:1] CCOC(=O)N1CCN(CC1)c1ncnc(c1[N+](=O)[O-])[*:1]
CCOC(=O)N1CCN(c2ncnc(NC3CCCCC3)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCOC(=O)N1CCN(CC1)c1ncnc(NC2CCCCC2)c1[*:1]
CCOC(=O)N1CCN(c2ncnc(NC3CCCCC3)c2[N+](=O)[O-])CC1 C1CCC(CC1)[*:1] CCOC(=O)N1CCN(CC1)c1ncnc(N[*:1])c1[N+](=O)[O-]
Cc1cc(C)c(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] C(=NNc1nc(nc(n1)N1CCOCC1)N1CCOCC1)[*:1]
Cc1cc(C)c(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C)c1 C1CN(CCO1)[*:1] Cc1cc(C)c(/C=N/Nc2nc(nc(n2)[*:1])N2CCOCC2)c(C)c1
CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCCNC1=O Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)N[C@H]1CCCCNC1=O
CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCCNC1=O Clc1ccc(C[*:1])s1 CCN(C(=O)N[C@H]1CCCCNC1=O)[*:1]
CC[C@@H]1CCCCN1c1ccc(NC(=O)CCC(=O)[O-])cc1 O=C([O-])[*:1] CC[C@@H]1CCCCN1c1ccc(cc1)NC(=O)CC[*:1]
CC[C@@H]1CCCCN1c1ccc(NC(=O)CCC(=O)[O-])cc1 O=C([O-])C[*:1] CC[C@@H]1CCCCN1c1ccc(cc1)NC(=O)C[*:1]
CC[C@@H]1CCCCN1c1ccc(NC(=O)CCC(=O)[O-])cc1 O=C([O-])CC[*:1] CC[C@@H]1CCCCN1c1ccc(cc1)NC(=O)[*:1]
O=C1CS/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N1 O=[N+]([O-])[*:1] O=C1CS/C(=N\N=C\c2cccc(c2)[*:1])N1
CS(=O)(=O)C1(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CCCC1 Fc1ccc(cc1Cl)[*:1] CS(=O)(=O)C1(CCCC1)C(=O)N1CCO[C@H](C1)[*:1]
CS(=O)(=O)C1(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CCCC1 CS(=O)(=O)[*:1] O=C(N1CCO[C@@H](C1)c1ccc(F)c(Cl)c1)C1(CCCC1)[*:1]
CCc1ccc(N2C[C@H](c3nnc(NC(=O)COC)s3)CC2=O)cc1 COC[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])s1
CCc1ccc(N2C[C@H](c3nnc(NC(=O)COC)s3)CC2=O)cc1 COCC(=O)N[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(s1)[*:1]
CCc1ccc(N2C[C@H](c3nnc(NC(=O)COC)s3)CC2=O)cc1 CCc1ccc(cc1)[*:1] COCC(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)=CC(=O)Nc1cccc(NC(N)=O)c1 CC(C)=C[*:1] NC(=O)Nc1cccc(c1)NC(=O)[*:1]
CC(C)=CC(=O)Nc1cccc(NC(N)=O)c1 NC(=O)N[*:1] CC(C)=CC(=O)Nc1cccc(c1)[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N[C@H]2CCC[C@@H]3OCC[C@H]23)n1 Cc1nc(C)n(n1)[*:1] O=C(Nc1ccccc1[*:1])N[C@H]1CCC[C@@H]2OCC[C@H]12
[NH2+]=C(SC(c1ccccc1)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] [NH2+]=C(SC(c1ccccc1)[*:1])N1CCOCC1
C#CCNC(=O)c1cc(C(=O)CC(C)C)c[nH]1 CC(C)C[*:1] C#CCNC(=O)c1cc(c[nH]1)C(=O)[*:1]
C#CCNC(=O)c1cc(C(=O)CC(C)C)c[nH]1 CC(C)[*:1] C#CCNC(=O)c1cc(c[nH]1)C(=O)C[*:1]
C#CCNC(=O)c1cc(C(=O)CC(C)C)c[nH]1 C#CC[*:1] CC(C)CC(=O)c1c[nH]c(c1)C(=O)N[*:1]
O=C(NNC(=O)c1ccccc1Cl)c1ccncc1 c1cc(ccn1)[*:1] O=C(NNC(=O)[*:1])c1ccccc1Cl
Cn1cccc(C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)c1=O Cn1cccc(c1=O)[*:1] O=C(c1cccnc1)N1CCC(CC1)CNC(=O)[*:1]
Cn1cccc(C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)c1=O c1cncc(c1)[*:1] Cn1cccc(C(=O)NCC2CCN(CC2)C(=O)[*:1])c1=O
O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N1CCCC[C@@H]1CCO OCC[*:1] O=C(c1cccc(c1)-n1ccc(n1)C(F)(F)F)N1CCCC[C@H]1[*:1]
O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N1CCCC[C@@H]1CCO FC(F)(F)[*:1] O=C(c1cccc(c1)-n1ccc(n1)[*:1])N1CCCC[C@@H]1CCO
O=Cc1ccc(OCc2cccc(C(=O)N3CCCCC3)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=Cc1ccc(OCc2cccc(c2)C(=O)N2CCCCC2)c(c1)[*:1]
O=Cc1ccc(OCc2cccc(C(=O)N3CCCCC3)c2)c([N+](=O)[O-])c1 O=C(N1CCCCC1)[*:1] O=Cc1ccc(OCc2cccc(c2)[*:1])c(c1)[N+](=O)[O-]
O=C([O-])COc1ccccc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 O=C([O-])CO[*:1] c1ccc(c(c1)C[NH+]1CCC2(CC[NH2+]CC2)CC1)[*:1]
O=C([O-])COc1ccccc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 O=C([O-])C[*:1] c1ccc(O[*:1])c(c1)C[NH+]1CCC2(CC[NH2+]CC2)CC1
O=C([O-])COc1ccccc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 O=C([O-])[*:1] c1ccc(OC[*:1])c(c1)C[NH+]1CCC2(CC[NH2+]CC2)CC1
CC[C@@H](C)n1ncc2c(C(=O)N(C[C@H]3CCCCO3)C(C)C)cc(C)nc21 C1CC[C@@H](OC1)[*:1] CC[C@@H](C)n1ncc2c(cc(C)nc21)C(=O)N(C[*:1])C(C)C
CC[C@@H](C)n1ncc2c(C(=O)N(C[C@H]3CCCCO3)C(C)C)cc(C)nc21 C1CC[C@H](C[*:1])OC1 CC[C@@H](C)n1ncc2c(cc(C)nc21)C(=O)N(C(C)C)[*:1]
CC[C@@H](C)n1ncc2c(C(=O)N(C[C@H]3CCCCO3)C(C)C)cc(C)nc21 CC(C)[*:1] CC[C@@H](C)n1ncc2c(cc(C)nc21)C(=O)N(C[C@H]1CCCCO1)[*:1]
CC[C@@H](C)n1ncc2c(C(=O)N(C[C@H]3CCCCO3)C(C)C)cc(C)nc21 CC[C@@H](C)[*:1] Cc1cc(C(=O)N(C[C@H]2CCCCO2)C(C)C)c2cnn(c2n1)[*:1]
Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)c1 FC(F)(F)[*:1] Cc1cccc(c1)NC(=O)c1cc2N[C@@H](C[C@H](n2n1)[*:1])c1ccc2OCOc2c1
Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)c1 c1cc2OCOc2cc1[*:1] Cc1cccc(c1)NC(=O)c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)c1ccc2OCOc2c1
Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)c1 Cc1cccc(c1)NC(=O)[*:1] FC(F)(F)[C@H]1C[C@H](Nc2cc(nn21)[*:1])c1ccc2OCOc2c1
Cc1ccc(CSc2nnc(NC(=O)c3ccncc3)s2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)CSc1nnc(NC(=O)[*:1])s1
Cc1ccc(CSc2nnc(NC(=O)c3ccncc3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nnc(SC[*:1])s1)c1ccncc1
Cc1ccccc1CNC(=O)[C@@H](C)SCc1cc(=O)n2ccccc2n1 Cc1ccccc1[*:1] C[C@@H](SCc1cc(=O)n2ccccc2n1)C(=O)NC[*:1]
Cc1ccccc1CNC(=O)[C@@H](C)SCc1cc(=O)n2ccccc2n1 Cc1ccccc1C[*:1] C[C@@H](SCc1cc(=O)n2ccccc2n1)C(=O)N[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@H]2c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 CC(=O)[*:1] O=C([C@@H]1CC=CCC1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)Nc1ccc(Cl)cc1
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 CCC[*:1] O=C(CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[*:1])Nc1cc(Cl)ccc1Cl
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 O=C(Nc1cc(Cl)ccc1Cl)[*:1] CCCN(C[*:1])C(=O)Cn1c2ccccc2c(=O)c2ccccc21
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 Clc1ccc(Cl)c(c1)[*:1] CCCN(CC(=O)N[*:1])C(=O)Cn1c2ccccc2c(=O)c2ccccc21
C[C@H](C(=O)NC1CCCC1)N1CCN(CCOc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@H](C(=O)NC1CCCC1)N1CCN(CCO[*:1])CC1
C[C@H](C(=O)NC1CCCC1)N1CCN(CCOc2ccc(Cl)cc2)CC1 C1CCC(C1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CCOc2ccc(Cl)cc2)CC1
C[C@H](C(=O)NC1CCCC1)N1CCN(CCOc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)O[*:1] C[C@H](C(=O)NC1CCCC1)N1CCN(CC1)CC[*:1]
C[C@H](C(=O)NC1CCCC1)N1CCN(CCOc2ccc(Cl)cc2)CC1 O=C(NC1CCCC1)[*:1] C[C@H](N1CCN(CCOc2ccc(Cl)cc2)CC1)[*:1]
Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 CC(C)[*:1] Cc1ccc(cc1)CNC(=O)c1ccccc1NC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC[*:1]
Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 CC(C)C(=O)N[*:1] Cc1ccc(cc1)CNC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 Cc1ccc(cc1)C[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
C[C@@H](NC(=O)Cc1ccccc1OC(F)F)c1cccc(C#N)c1 FC(F)O[*:1] C[C@@H](NC(=O)Cc1ccccc1[*:1])c1cccc(C#N)c1
C[C@@H](NC(=O)Cc1ccccc1OC(F)F)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](NC(=O)Cc1ccccc1OC(F)F)[*:1]
C[C@@H](NC(=O)Cc1ccccc1OC(F)F)c1cccc(C#N)c1 FC(F)[*:1] C[C@@H](NC(=O)Cc1ccccc1O[*:1])c1cccc(C#N)c1
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Oc3cccc(F)c3)cnc21 Fc1cccc(c1)[*:1] CCCn1c(=O)[nH]c(=O)c2cc(cnc21)C(=O)O[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Oc3cccc(F)c3)cnc21 CCC[*:1] O=C(Oc1cccc(F)c1)c1cnc2c(c1)c(=O)[nH]c(=O)n2[*:1]
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\C=C\c3ccccc3)C2=O)c1 Cc1cccc(c1)[*:1] O=C(CN1C(=O)N/C(=C\C=C\c2ccccc2)C1=O)N[*:1]
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\C=C\c3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)N/C(=C\C=C[*:1])C1=O
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\C=C\c3ccccc3)C2=O)c1 C(=C[*:1])c1ccccc1 Cc1cccc(c1)NC(=O)CN1C(=O)NC(=C[*:1])C1=O
O=C(OCc1cc(F)cc2c1O[C@H](c1ccsc1)OC2)C1=CN2CCS(=O)(=O)N=C2C=C1 c1cc(cs1)[*:1] O=C(OCc1cc(F)cc2CO[C@@H](Oc12)[*:1])C1C=CC2=NS(=O)(=O)CCN2C=1
COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2ccc(F)cc2Cl)C3)cc1 O=C(NC1CC1)[*:1] COc1ccc(cc1)CCn1nc(c2CN(CCc21)C(=O)c1ccc(F)cc1Cl)[*:1]
COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2ccc(F)cc2Cl)C3)cc1 COc1ccc(cc1)[*:1] O=C(NC1CC1)c1nn(CC[*:1])c2CCN(Cc12)C(=O)c1ccc(F)cc1Cl
COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2ccc(F)cc2Cl)C3)cc1 COc1ccc(cc1)CC[*:1] O=C(NC1CC1)c1nn(c2CCN(Cc12)C(=O)c1ccc(F)cc1Cl)[*:1]
COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2ccc(F)cc2Cl)C3)cc1 C1CC1[*:1] COc1ccc(cc1)CCn1nc(C(=O)N[*:1])c2CN(CCc21)C(=O)c1ccc(F)cc1Cl
COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2ccc(F)cc2Cl)C3)cc1 Fc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)CCn1nc(C(=O)NC2CC2)c2CN(CCc21)C(=O)[*:1]
COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2ccc(F)cc2Cl)C3)cc1 COc1ccc(cc1)C[*:1] O=C(NC1CC1)c1nn(C[*:1])c2CCN(Cc12)C(=O)c1ccc(F)cc1Cl
COc1ccc2c(C)cc(SCC(=O)N[C@@H](C)c3ccccc3)nc2c1 c1ccc(cc1)[*:1] COc1ccc2c(C)cc(nc2c1)SCC(=O)N[C@@H](C)[*:1]
COc1ccc2c(C)cc(SCC(=O)N[C@@H](C)c3ccccc3)nc2c1 C[C@@H](c1ccccc1)[*:1] COc1ccc2c(C)cc(nc2c1)SCC(=O)N[*:1]
Cc1ccc2c(Cn3ccnc3S(C)(=O)=O)cc(=O)oc2c1C CS(=O)(=O)[*:1] Cc1ccc2c(cc(=O)oc2c1C)Cn1ccnc1[*:1]
CC(C)(C)C(=O)N1CCC(=NOCC(=O)NCc2cccs2)CC1 c1csc(c1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)=NOCC(=O)NC[*:1]
CC(C)(C)C(=O)N1CCC(=NOCC(=O)NCc2cccs2)CC1 c1csc(c1)C[*:1] CC(C)(C)C(=O)N1CCC(CC1)=NOCC(=O)N[*:1]
CC(C)(C)C(=O)N1CCC(=NOCC(=O)NCc2cccs2)CC1 CC(C)(C)[*:1] O=C(CON=C1CCN(CC1)C(=O)[*:1])NCc1cccs1
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1ccc([S@@](C)=O)cc1 CC(C)(C)[*:1] Cc1nc([nH]c(=O)c1C(=O)Nc1ccc(cc1)[S@@](C)=O)[*:1]
Cc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)N(C1CC1)[C@H](C)[*:1]
Cc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)s1 C1CC1[*:1] Cc1ccc(s1)C(=O)N([C@H](C)c1ccc(Cl)cc1)[*:1]
Cc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)s1 Cc1ccc(s1)[*:1] C[C@H](c1ccc(Cl)cc1)N(C(=O)[*:1])C1CC1
Cc1csc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(Cc4ccccc4)n23)n1 Cc1csc(n1)NC(=O)[*:1] Cc1sc2nc(Cc3ccccc3)n3c(nnc3c2c1C)SC[*:1]
Cc1csc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(Cc4ccccc4)n23)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)CSc1nnc2c3c(C)c(C)sc3nc(C[*:1])n12
Cc1csc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(Cc4ccccc4)n23)n1 Cc1csc(n1)NC(=O)C[*:1] Cc1sc2nc(Cc3ccccc3)n3c(nnc3c2c1C)S[*:1]
Cc1csc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(Cc4ccccc4)n23)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)NC(=O)CSc1nnc2c3c(C)c(C)sc3nc(n12)[*:1]
Cc1csc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(Cc4ccccc4)n23)n1 Cc1csc(n1)[*:1] Cc1sc2nc(Cc3ccccc3)n3c(nnc3c2c1C)SCC(=O)N[*:1]
COc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] COc1cccc(c1)NS(=O)(=O)c1cccc(c1)[*:1]
O=Cc1c(OCC(=O)NC2CC2)ccc2ccccc12 O=C(NC1CC1)[*:1] O=Cc1c(ccc2ccccc12)OC[*:1]
O=Cc1c(OCC(=O)NC2CC2)ccc2ccccc12 C1CC1[*:1] O=Cc1c(ccc2ccccc12)OCC(=O)N[*:1]
C[C@H]([NH2+][C@@H](C)[C@@H](C)C(=O)[O-])c1cccc(Br)c1 O=C([O-])[*:1] C[C@H]([NH2+][C@@H](C)[C@@H](C)[*:1])c1cccc(Br)c1
CNC(=O)COc1ccc(Br)c(C)c1 CNC(=O)[*:1] Cc1cc(ccc1Br)OC[*:1]
O=[N+]([O-])c1ccc(/C=C2\CCc3ccccc3[C@H]2O)cc1 O=[N+]([O-])[*:1] O[C@H]1/C(=C/c2ccc(cc2)[*:1])CCc2ccccc21
C[C@@H]([C@@H](C)O)n1cc(Br)cc([N+](=O)[O-])c1=O C[C@@H](O)[*:1] C[C@@H](n1cc(Br)cc(c1=O)[N+](=O)[O-])[*:1]
C[C@@H]([C@@H](C)O)n1cc(Br)cc([N+](=O)[O-])c1=O O=[N+]([O-])[*:1] C[C@@H]([C@@H](C)O)n1cc(Br)cc(c1=O)[*:1]
O=C(NC[C@@H]1CC[C@@H](C(=O)[O-])O1)c1ccc(Cl)cc1 O=C([O-])[*:1] O=C(NC[C@@H]1CC[C@@H](O1)[*:1])c1ccc(Cl)cc1
COc1ccccc1CN(CCO)C(=O)NCC1(C)Cc2ccccc2C1 COc1ccccc1[*:1] CC1(CNC(=O)N(CCO)C[*:1])Cc2ccccc2C1
COc1ccccc1CN(CCO)C(=O)NCC1(C)Cc2ccccc2C1 COc1ccccc1C[*:1] CC1(CNC(=O)N(CCO)[*:1])Cc2ccccc2C1
COc1ccccc1CN(CCO)C(=O)NCC1(C)Cc2ccccc2C1 OCC[*:1] COc1ccccc1CN(C(=O)NCC1(C)Cc2ccccc2C1)[*:1]
CC[C@H](NC(=O)NCc1cccc(N(C)C)[nH+]1)c1ccccc1OC COc1ccccc1[*:1] CC[C@H](NC(=O)NCc1cccc([nH+]1)N(C)C)[*:1]
CC[C@H](NC(=O)NCc1cccc(N(C)C)[nH+]1)c1ccccc1OC CN(C)[*:1] CC[C@H](NC(=O)NCc1cccc([nH+]1)[*:1])c1ccccc1OC
Cc1c(COc2ccc(CO)nc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])COc1ccc(CO)nc1
COc1cccc(-n2ccnc(NC(=O)c3cccc(Cl)c3)c2=O)c1 Clc1cccc(c1)[*:1] COc1cccc(c1)-n1ccnc(NC(=O)[*:1])c1=O
COc1cccc(-n2ccnc(NC(=O)c3cccc(Cl)c3)c2=O)c1 COc1cccc(c1)[*:1] O=C(Nc1nccn(c1=O)[*:1])c1cccc(Cl)c1
CCOc1ccccc1OCCN1C(=O)[C@H](C)CN(C(=O)c2ccccc2)c2ccccc21 CCOc1ccccc1O[*:1] C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(CC[*:1])C1=O
CCOc1ccccc1OCCN1C(=O)[C@H](C)CN(C(=O)c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CCOc1ccccc1OCCN1C(=O)[C@H](C)CN(C(=O)[*:1])c2ccccc21
CCOc1ccccc1OCCN1C(=O)[C@H](C)CN(C(=O)c2ccccc2)c2ccccc21 CCOc1ccccc1[*:1] C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(CCO[*:1])C1=O
CCOc1ccccc1OCCN1C(=O)[C@H](C)CN(C(=O)c2ccccc2)c2ccccc21 CCO[*:1] C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(CCOc2ccccc2[*:1])C1=O
CCOc1ccccc1OCCN1C(=O)[C@H](C)CN(C(=O)c2ccccc2)c2ccccc21 CCOc1ccccc1OC[*:1] C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(C[*:1])C1=O
COCC[NH2+]Cc1cc(=O)[nH]c([C@H]2CSCCS2)n1 COCC[*:1] O=c1cc(C[NH2+][*:1])nc([nH]1)[C@H]1CSCCS1
COCC[NH2+]Cc1cc(=O)[nH]c([C@H]2CSCCS2)n1 COC[*:1] O=c1cc(C[NH2+]C[*:1])nc([nH]1)[C@H]1CSCCS1
COCC[NH2+]Cc1cc(=O)[nH]c([C@H]2CSCCS2)n1 C1CS[C@H](CS1)[*:1] COCC[NH2+]Cc1cc(=O)[nH]c(n1)[*:1]
Cc1ccc(Nc2ncnc3c(-c4ccccc4)noc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] c1ccc(cc1)-c1noc2c(ncnc12)N[*:1]
Cc1ccc(Nc2ncnc3c(-c4ccccc4)noc23)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(Nc2ncnc3c(noc23)[*:1])c(C)c1
CN(Cc1ccccc1Cl)C(=O)Cc1csc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CN(Cc1ccccc1Cl)C(=O)Cc1csc(n1)[*:1]
CN(Cc1ccccc1Cl)C(=O)Cc1csc(-c2ccccn2)n1 Clc1ccccc1[*:1] CN(C[*:1])C(=O)Cc1csc(n1)-c1ccccn1
CN(Cc1ccccc1Cl)C(=O)Cc1csc(-c2ccccn2)n1 Clc1ccccc1C[*:1] CN(C(=O)Cc1csc(n1)-c1ccccn1)[*:1]
Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C(F)(F)F O=C([O-])C[*:1] Cc1ccccc1[C@@H](NC(=O)C(F)(F)F)[*:1]
Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C(F)(F)F O=C([O-])[*:1] Cc1ccccc1[C@@H](C[*:1])NC(=O)C(F)(F)F
Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C(F)(F)F FC(F)(F)[*:1] Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[*:1]
CC(C)OCCC(CO)(CO)c1ccccc1 CC(C)[*:1] OCC(CO)(CCO[*:1])c1ccccc1
CC(C)OCCC(CO)(CO)c1ccccc1 CC(C)OC[*:1] OCC(CO)(C[*:1])c1ccccc1
CC(C)OCCC(CO)(CO)c1ccccc1 CC(C)O[*:1] OCC(CO)(CC[*:1])c1ccccc1
CN(C)C(=O)CN(C)c1nc(Br)cn2ccnc12 CN(C)C(=O)[*:1] CN(C[*:1])c1nc(Br)cn2ccnc12
CN(C)C(=O)CN(C)c1nc(Br)cn2ccnc12 CN(C)C(=O)C[*:1] CN(c1nc(Br)cn2ccnc12)[*:1]
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=NC(=O)c1ccc(Cl)cc1 CCOC(=O)[*:1] Cc1cccn2c(=O)c3cc(c(=NC(=O)c4ccc(Cl)cc4)n(c3nc12)C(C)C)[*:1]
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=NC(=O)c1ccc(Cl)cc1 CC(C)[*:1] CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(c1=NC(=O)c1ccc(Cl)cc1)[*:1]
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(c1=NC(=O)[*:1])C(C)C
CO[C@@H](CNc1ncccc1-c1nc(C)no1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNc1ncccc1-c1nc(C)no1)[*:1]
CO[C@@H](CNc1ncccc1-c1nc(C)no1)c1ccc(F)cc1 Cc1noc(n1)[*:1] CO[C@@H](CNc1ncccc1[*:1])c1ccc(F)cc1
Cc1csc([C@@H](C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1 CC(C)(C)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)[C@@H](C)NC(=O)O[*:1]
Cc1csc([C@@H](C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)[*:1]
CCOCCn1/c(=N/C(=O)c2ccno2)sc2ccccc21 CCOC[*:1] O=C(/N=c1\sc2ccccc2n1C[*:1])c1ccno1
CCOCCn1/c(=N/C(=O)c2ccno2)sc2ccccc21 CCO[*:1] O=C(/N=c1\sc2ccccc2n1CC[*:1])c1ccno1
CCOCCn1/c(=N/C(=O)c2ccno2)sc2ccccc21 CCOCC[*:1] O=C(/N=c1\sc2ccccc2n1[*:1])c1ccno1
CCOCCn1/c(=N/C(=O)c2ccno2)sc2ccccc21 c1cc(on1)[*:1] CCOCCn1/c(=N/C(=O)[*:1])sc2ccccc21
Cc1cc(C)n(-c2ccc(CNC(=O)N3CC[C@@H](C)[C@H](O)C3)cn2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCc1ccc(nc1)[*:1]
CC(=O)N(Cc1ccco1)C[C@H]1C=c2ccccc2=[NH+]C1=O c1coc(c1)[*:1] CC(=O)N(C[C@H]1C=c2ccccc2=[NH+]C1=O)C[*:1]
CC(=O)N(Cc1ccco1)C[C@H]1C=c2ccccc2=[NH+]C1=O c1coc(c1)C[*:1] CC(=O)N(C[C@H]1C=c2ccccc2=[NH+]C1=O)[*:1]
COc1ccc(Br)cc1CNC(=O)CCl O=C(CCl)N[*:1] COc1ccc(Br)cc1C[*:1]
Cc1cccc(NC(=O)N(CCC#N)CCC(F)(F)F)c1 FC(F)(F)[*:1] Cc1cccc(c1)NC(=O)N(CCC#N)CC[*:1]
Cc1cccc(NC(=O)N(CCC#N)CCC(F)(F)F)c1 N#CC[*:1] Cc1cccc(c1)NC(=O)N(CCC(F)(F)F)C[*:1]
Cc1cccc(NC(=O)N(CCC#N)CCC(F)(F)F)c1 FC(F)(F)CC[*:1] Cc1cccc(c1)NC(=O)N(CCC#N)[*:1]
Cc1cccc(NC(=O)N(CCC#N)CCC(F)(F)F)c1 FC(F)(F)C[*:1] Cc1cccc(c1)NC(=O)N(CCC#N)C[*:1]
Cc1cccc(NC(=O)N(CCC#N)CCC(F)(F)F)c1 Cc1cccc(c1)[*:1] N#CCCN(CCC(F)(F)F)C(=O)N[*:1]
Cc1cccc(NC(=O)N(CCC#N)CCC(F)(F)F)c1 N#CCC[*:1] Cc1cccc(c1)NC(=O)N(CCC(F)(F)F)[*:1]
CCc1[nH+]ccn1CC[C@@H]1CCC[C@@]1(C#N)NC1CC1 C1CC1[*:1] CCc1[nH+]ccn1CC[C@@H]1CCC[C@@]1(C#N)N[*:1]
CCc1[nH+]ccn1CC[C@@H]1CCC[C@@]1(C#N)NC1CC1 C1CC1N[*:1] CCc1[nH+]ccn1CC[C@@H]1CCC[C@]1(C#N)[*:1]
COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCCC1 C1CCN(C1)[*:1] COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1[*:1]
O=C(CCc1ncc(-c2ccc(F)cc2)o1)Oc1cccc2[nH]ncc12 Fc1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])Oc1cccc2[nH]ncc12
N#Cc1ccc([N+](=O)[O-])cc1N O=[N+]([O-])[*:1] N#Cc1ccc(cc1N)[*:1]
N#Cc1ccc(N(C(=O)COCc2ccccc2Cl)C2CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(COCc1ccccc1Cl)N(C1CC1)[*:1]
N#Cc1ccc(N(C(=O)COCc2ccccc2Cl)C2CC2)cc1 Clc1ccccc1[*:1] N#Cc1ccc(cc1)N(C(=O)COC[*:1])C1CC1
N#Cc1ccc(N(C(=O)COCc2ccccc2Cl)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)COCc1ccccc1Cl)[*:1]
N#Cc1ccc(N(C(=O)COCc2ccccc2Cl)C2CC2)cc1 Clc1ccccc1C[*:1] N#Cc1ccc(cc1)N(C(=O)CO[*:1])C1CC1
Cc1ccc(C)c(C(=O)CCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c1 Cc1ccc(C)c(c1)[*:1] N#C[C@H](C(=O)CCC(=O)[*:1])c1nc2ccccc2[nH]1
Cn1c2ccc(Br)cc2c2nnc(N/N=C/c3cccs3)nc21 c1csc(c1)[*:1] Cn1c2ccc(Br)cc2c2nnc(nc21)NN=C[*:1]
O=C(CC1(O)CCCCC1)N1CCSC[C@@H]1c1ccccc1 OC1(CCCCC1)[*:1] O=C(C[*:1])N1CCSC[C@@H]1c1ccccc1
O=C(CC1(O)CCCCC1)N1CCSC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CC1(O)CCCCC1)N1CCSC[C@H]1[*:1]
O=C(CNC(=O)c1ccc(-c2cscn2)cc1)Nc1ccc(F)cc1 c1nc(cs1)[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])Nc1ccc(F)cc1
O=C(CNC(=O)c1ccc(-c2cscn2)cc1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(cc1)-c1cscn1)N[*:1]
Cn1cc(CCC(=O)N2CCCC2)cc1C(=O)[O-] O=C([O-])[*:1] Cn1cc(cc1[*:1])CCC(=O)N1CCCC1
CCCc1ccc([C@@H]([NH3+])C(OC)OC)cc1 COC(OC)[*:1] CCCc1ccc(cc1)[C@@H]([NH3+])[*:1]
CCCc1ccc([C@@H]([NH3+])C(OC)OC)cc1 CCC[*:1] COC(OC)[C@H]([NH3+])c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C2=N[C@@H](NC(=O)CCc3c(C)nc(C)[nH]c3=O)SC2)cc1 Cc1nc(C)c(c(=O)[nH]1)[*:1] CC(=O)Nc1ccc(cc1)C1CS[C@@H](N=1)NC(=O)CC[*:1]
CC(=O)Nc1ccc(C2=N[C@@H](NC(=O)CCc3c(C)nc(C)[nH]c3=O)SC2)cc1 CC(=O)N[*:1] Cc1nc(C)c(CCC(=O)N[C@@H]2N=C(CS2)c2ccc(cc2)[*:1])c(=O)[nH]1
C[C@H]1CCCN(C(=O)CS(=O)(=O)c2nc(-c3ccccc3)cs2)C1 c1ccc(cc1)[*:1] C[C@H]1CCCN(C1)C(=O)CS(=O)(=O)c1nc(cs1)[*:1]
Clc1c[nH+]ccc1N1CCN(Cc2cc(-c3ccccc3)[nH]n2)CC1 c1ccc(cc1)[*:1] Clc1c[nH+]ccc1N1CCN(CC1)Cc1cc([nH]n1)[*:1]
Cn1ncc(C(N)=S)c1NC(=O)c1ccc2c(c1)OCO2 NC(=S)[*:1] Cn1ncc(c1NC(=O)c1ccc2OCOc2c1)[*:1]
Cc1ccccc1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl Cc1ccccc1O[*:1] O=C(C[*:1])NNC(=O)c1ccc(cc1Cl)[N+](=O)[O-]
Cc1ccccc1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl Cc1ccccc1[*:1] O=C(CO[*:1])NNC(=O)c1ccc(cc1Cl)[N+](=O)[O-]
Cc1ccccc1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] Cc1ccccc1OCC(=O)NNC(=O)c1ccc(cc1Cl)[*:1]
CC(C)S(=O)(=O)CC(=O)N1CC[S@](=O)C(C)(C)C1 CC(C)[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)CS(=O)(=O)[*:1]
CC(C)S(=O)(=O)CC(=O)N1CC[S@](=O)C(C)(C)C1 CC(C)S(=O)(=O)[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)C[*:1]
CC[C@H](C)n1c(=S)[nH]c([O-])c([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c1=O CC[C@H](C)[*:1] COc1cc2CC[NH2+][C@@H](c2cc1OC)c1c([O-])[nH]c(=S)n(c1=O)[*:1]
Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]([NH3+])CC(C)C CC(C)C[*:1] Cc1ccc(cc1NC(=O)[C@H]([NH3+])[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]([NH3+])CC(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)[C@H]([NH3+])C[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]([NH3+])CC(C)C FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)[C@H]([NH3+])CC(C)C)[*:1]
O=C(CCC(=O)N1CCN(COc2ccc(Cl)cc2)CC1)/N=C1/N=N[C@H](C(F)(F)F)S1 Clc1ccc(cc1)OC[*:1] O=C(CCC(=O)N1CCN(CC1)[*:1])/N=C1/N=N[C@@H](S1)C(F)(F)F
O=C(CCC(=O)N1CCN(COc2ccc(Cl)cc2)CC1)/N=C1/N=N[C@H](C(F)(F)F)S1 Clc1ccc(cc1)[*:1] O=C(CCC(=O)N1CCN(CC1)CO[*:1])/N=C1/N=N[C@@H](S1)C(F)(F)F
O=C(CCC(=O)N1CCN(COc2ccc(Cl)cc2)CC1)/N=C1/N=N[C@H](C(F)(F)F)S1 Clc1ccc(cc1)O[*:1] O=C(CCC(=O)N1CCN(CC1)C[*:1])/N=C1/N=N[C@@H](S1)C(F)(F)F
O=C(CCC(=O)N1CCN(COc2ccc(Cl)cc2)CC1)/N=C1/N=N[C@H](C(F)(F)F)S1 FC(F)(F)[*:1] O=C(CCC(=O)N1CCN(CC1)COc1ccc(Cl)cc1)/N=C1/N=N[C@H](S1)[*:1]
CC(C)Oc1ccc(NC(=O)NCCC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CC(C)Oc1ccc(cc1)NC(=O)NCC[*:1]
CC(C)Oc1ccc(NC(=O)NCCC(=O)N(C)C)cc1 CC(C)O[*:1] CN(C)C(=O)CCNC(=O)Nc1ccc(cc1)[*:1]
CC(C)Oc1ccc(NC(=O)NCCC(=O)N(C)C)cc1 CN(C)C(=O)C[*:1] CC(C)Oc1ccc(cc1)NC(=O)NC[*:1]
CC(C)Oc1ccc(NC(=O)NCCC(=O)N(C)C)cc1 CC(C)[*:1] CN(C)C(=O)CCNC(=O)Nc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(NC(=O)NCCC(=O)N(C)C)cc1 CN(C)C(=O)CC[*:1] CC(C)Oc1ccc(cc1)NC(=O)N[*:1]
C[C@H]1CN(CC(=O)Nc2cccc(Cl)c2)c2ccccc2S1 Clc1cccc(c1)[*:1] C[C@H]1CN(CC(=O)N[*:1])c2ccccc2S1
Cc1cc(C(=O)N2CCN(Cc3cnc4ncccn34)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(N1CCN(CC1)Cc1cnc2ncccn12)[*:1]
CN1CCN(C(=O)c2nccnc2N)c2cc(F)ccc21 Nc1nccnc1[*:1] CN1CCN(C(=O)[*:1])c2cc(F)ccc21
Cn1c(C2CC2)nc2cc(NC(=O)C(=O)N3CCc4cc(F)ccc4C3)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)N1CCc2cc(F)ccc2C1)[*:1]
O=C(CCc1cccnc1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O c1cncc(c1)CC[*:1] O=C1[C@H]2CC[C@H](CN(C2)C(=O)[*:1])N1Cc1cscn1
O=C(CCc1cccnc1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O c1nc(cs1)[*:1] O=C(CCc1cccnc1)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
O=C(CCc1cccnc1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O c1cncc(c1)[*:1] O=C(CC[*:1])N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O
O=C(CCc1cccnc1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O c1cncc(c1)C[*:1] O=C(C[*:1])N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O
O=C(CCc1cccnc1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O c1nc(cs1)C[*:1] O=C(CCc1cccnc1)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
C/[NH+]=C(\N[C@H]1C[C@@](C)(OC)C1(C)C)NC(C)(C)C CC(C)(C)[*:1] C/[NH+]=C(\N[C@H]1C[C@@](C)(OC)C1(C)C)N[*:1]
Cc1oc(C(=O)/N=c2/sccn2C)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)/N=c1/sccn1C
Cc1cc(CSc2nnc(C(F)(F)F)n2C)on1 Cc1cc(on1)[*:1] Cn1c(nnc1C(F)(F)F)SC[*:1]
Cc1cc(CSc2nnc(C(F)(F)F)n2C)on1 FC(F)(F)[*:1] Cc1cc(CSc2nnc(n2C)[*:1])on1
CC(=O)N1CC[C@@H](N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)[C@@H](C)C1 C1CC1[*:1] CC(=O)N1CC[C@@H](N[C@H](C(=O)N[*:1])c2ccc(F)cc2)[C@@H](C)C1
CC(=O)N1CC[C@@H](N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)[C@@H](C)C1 O=C(NC1CC1)[*:1] CC(=O)N1CC[C@@H](N[C@H](c2ccc(F)cc2)[*:1])[C@@H](C)C1
CC(=O)N1CC[C@@H](N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)[C@@H](C)C1 Fc1ccc(cc1)[*:1] CC(=O)N1CC[C@@H](N[C@H](C(=O)NC2CC2)[*:1])[C@@H](C)C1
Cc1nc(-c2cccc(C[NH2+][C@H](C)c3cnn(C(C)C)c3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] CC(C)n1cc(cn1)[C@@H](C)[NH2+]Cc1cccc(c1)[*:1]
Cc1nc(-c2cccc(C[NH2+][C@H](C)c3cnn(C(C)C)c3)c2)n[nH]1 CC(C)n1cc(cn1)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C[NH2+][C@H](C)[*:1]
Cc1nc(-c2cccc(C[NH2+][C@H](C)c3cnn(C(C)C)c3)c2)n[nH]1 CC(C)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C[NH2+][C@H](C)c1cnn(c1)[*:1]
COc1ccccc1CN(CCO)C(=O)N[C@H](C)c1ccc(C)cc1 COc1ccccc1[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)N(CCO)C[*:1]
COc1ccccc1CN(CCO)C(=O)N[C@H](C)c1ccc(C)cc1 OCC[*:1] COc1ccccc1CN(C(=O)N[C@H](C)c1ccc(C)cc1)[*:1]
COc1ccccc1CN(CCO)C(=O)N[C@H](C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1CN(CCO)C(=O)N[C@H](C)[*:1]
O=C(Nc1cccc2c1CCCC2)c1cccc(CN2C(=O)CSC2=O)c1 O=C1CSC(=O)N1C[*:1] O=C(Nc1cccc2CCCCc21)c1cccc(c1)[*:1]
O=C(Nc1cccc2c1CCCC2)c1cccc(CN2C(=O)CSC2=O)c1 O=C1CSC(=O)N1[*:1] O=C(Nc1cccc2CCCCc21)c1cccc(c1)C[*:1]
COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@H]23)s1 COC[*:1] Cc1nc(C[*:1])sc1[C@@H](C)[NH2+][C@H]1CCC[C@H]2OCC[C@H]12
COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@H]23)s1 COCC[*:1] Cc1nc(sc1[C@@H](C)[NH2+][C@H]1CCC[C@H]2OCC[C@H]12)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)C1=Cc2cc(Cl)ccc2OC1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)[*:1]
CS(=O)(=O)CCNC(=O)N[C@H]1c2ccccc2C[C@H]1O CS(=O)(=O)CC[*:1] O=C(N[C@H]1c2ccccc2C[C@H]1O)N[*:1]
CS(=O)(=O)CCNC(=O)N[C@H]1c2ccccc2C[C@H]1O CS(=O)(=O)C[*:1] O=C(NC[*:1])N[C@H]1c2ccccc2C[C@H]1O
CS(=O)(=O)CCNC(=O)N[C@H]1c2ccccc2C[C@H]1O CS(=O)(=O)[*:1] O=C(NCC[*:1])N[C@H]1c2ccccc2C[C@H]1O
C[NH+]1CCN(Cc2cccc(C(=O)C3CCCC3)c2)CC1 O=C(C1CCCC1)[*:1] C[NH+]1CCN(CC1)Cc1cccc(c1)[*:1]
C[NH+]1CCN(Cc2cccc(C(=O)C3CCCC3)c2)CC1 C1CCC(C1)[*:1] C[NH+]1CCN(CC1)Cc1cccc(c1)C(=O)[*:1]
CC[C@H](C)N(C(=O)Cn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21)[C@@H](C)CC CN1C[C@@H](CC1=O)[*:1] CC[C@H](C)N(C(=O)Cn1c(nc2ccccc21)[*:1])[C@@H](C)CC
CC[C@H](C)N(C(=O)Cn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21)[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)N(C(=O)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C)C1)[*:1]
NC(=O)c1ccc(NC(=O)NC2CCCCCCC2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])NC1CCCCCCC1
COCC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 COCC[C@H](C)[*:1] O=C([C@@H]1CSCN1C(=O)[*:1])N1CCCC1
COCC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 COC[*:1] C[C@@H](C[*:1])C(=O)N1CSC[C@H]1C(=O)N1CCCC1
COCC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 COCC[*:1] C[C@H](C(=O)N1CSC[C@H]1C(=O)N1CCCC1)[*:1]
C=C(C)Cn1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21 C=C(C)C[*:1] O=C(NCCc1nc2ccccc2n1[*:1])c1ccc(Br)cc1
C=C(C)Cn1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21 Brc1ccc(cc1)[*:1] C=C(C)Cn1c(CCNC(=O)[*:1])nc2ccccc21
C=C(C)Cn1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21 C=C(C)[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])c1ccc(Br)cc1
Nc1cncnc1NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Nc1cncnc1NC(c1ccccc1)[*:1]
Nc1cncnc1NC(c1ccccc1)c1ccccc1 Nc1cncnc1[*:1] c1ccc(cc1)C(N[*:1])c1ccccc1
Cc1ccnc2nc(C(=O)N3CCC[NH+](Cc4cn5cc(Cl)ccc5n4)CC3)nn12 Cc1ccnc2nc(nn12)[*:1] O=C(N1CCC[NH+](CC1)Cc1cn2cc(Cl)ccc2n1)[*:1]
Cc1ccnc2nc(C(=O)N3CCC[NH+](Cc4cn5cc(Cl)ccc5n4)CC3)nn12 Clc1ccc2nc(cn2c1)[*:1] Cc1ccnc2nc(nn12)C(=O)N1CCC[NH+](CC1)C[*:1]
C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(CCO)cc1 OCC[*:1] C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
C[C@@H]1C(=O)N(Cc2ccccc2)C2=Nc3ccccc3S[C@@H]21 c1ccc(cc1)[*:1] C[C@@H]1C(=O)N(C[*:1])C2=Nc3ccccc3S[C@@H]21
C[C@@H]1C(=O)N(Cc2ccccc2)C2=Nc3ccccc3S[C@@H]21 c1ccc(cc1)C[*:1] C[C@@H]1C(=O)N(C2=Nc3ccccc3S[C@@H]21)[*:1]
O=C(c1cnccn1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 c1cnc(cn1)[*:1] O=C(N(Cc1ccc2OCOc2c1)C1CCCC1)[*:1]
O=C(c1cnccn1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 C1CCC(C1)[*:1] O=C(c1cnccn1)N(Cc1ccc2OCOc2c1)[*:1]
CCC[NH2+][C@@H]1CCC[C@@H]1CCSc1ccc2c(c1)CCC2 CCC[*:1] c1cc2CCCc2cc1SCC[C@H]1CCC[C@H]1[NH2+][*:1]
C=CCCCN(C)C(=O)Nc1ccc2oc(C(C)C)nc2c1 C=CCCC[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)N(C)[*:1]
C=CCCCN(C)C(=O)Nc1ccc2oc(C(C)C)nc2c1 C=CC[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)N(C)CC[*:1]
C=CCCCN(C)C(=O)Nc1ccc2oc(C(C)C)nc2c1 CC(C)[*:1] C=CCCCN(C)C(=O)Nc1ccc2oc(nc2c1)[*:1]
C=CCCCN(C)C(=O)Nc1ccc2oc(C(C)C)nc2c1 C=CCC[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)N(C)C[*:1]
COC(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCN(CC1)[*:1]
COC(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1 COC(=O)[*:1] O=C(c1cc(cc(c1)[*:1])[N+](=O)[O-])N1CCN(CC1)c1ccccc1
COC(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1cc(cc(c1)[*:1])C(=O)N1CCN(CC1)c1ccccc1
CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1n[nH]c(C(C)C)n1 CCO[*:1] CC(C)c1nc(n[nH]1)C(=O)N[C@H]1[C@@H]([NH3+])C[C@H]1[*:1]
CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1n[nH]c(C(C)C)n1 CC(C)[*:1] CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1n[nH]c(n1)[*:1]
Cc1nc(-c2cc3c(s2)CCN(CCc2ccncc2)C3)cs1 c1cc(ccn1)[*:1] Cc1nc(cs1)-c1cc2CN(CCc2s1)CC[*:1]
Cc1nc(-c2cc3c(s2)CCN(CCc2ccncc2)C3)cs1 c1cc(ccn1)C[*:1] Cc1nc(cs1)-c1cc2CN(CCc2s1)C[*:1]
Cc1nc(-c2cc3c(s2)CCN(CCc2ccncc2)C3)cs1 Cc1nc(cs1)[*:1] c1cc(ccn1)CCN1CCc2sc(cc2C1)[*:1]
Cn1ncnc1CNc1cc[nH+]c2cc(Br)ccc12 Cn1ncnc1[*:1] Brc1ccc2c(cc[nH+]c2c1)NC[*:1]
O=C([O-])[C@H]1CS[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 O=C([O-])[*:1] Clc1ccc(cc1)COc1cccc(c1)[C@@H]1N[C@H](CS1)[*:1]
O=C([O-])[C@H]1CS[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1 Clc1ccc(cc1)[*:1] O=C([O-])[C@H]1CS[C@@H](N1)c1cccc(c1)OC[*:1]
Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 c1ccc(cc1)[*:1] Cc1oc(nc1C(=O)Nc1ccc(F)c(c1)S(=O)(=O)N1CCOCC1)[*:1]
Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] Cc1oc(nc1C(=O)Nc1ccc(F)c(c1)[*:1])-c1ccccc1
O=C(c1cc(C2CC2)nc2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(c1cc(nc2ccccc12)C1CC1)N1CCC[C@H]1[*:1]
O=C(c1cc(C2CC2)nc2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 C1CC1[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCC[C@@H]1c1ccc2OCCOc2c1
COc1ccc([C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
COc1ccc([C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C2CCOCC2)cc1 c1cn(nn1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1ccc(cc1)[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](C1CCOCC1)[*:1])c1ccc(cc1)-n1ccnn1
O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CCC(O)CC2)C1 c1ccc(cc1)O[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)C(=O)N1CCC(O)CC1
O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CCC(O)CC2)C1 c1ccc(cc1)OC[*:1] O=C(C[*:1])N1CCC[C@@H](C1)C(=O)N1CCC(O)CC1
O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CCC(O)CC2)C1 c1ccc(cc1)[*:1] O=C(CCO[*:1])N1CCC[C@@H](C1)C(=O)N1CCC(O)CC1
COC[C@H](O)C[NH2+]C[C@@H]1COc2ccccc21 COC[*:1] O[C@H](C[NH2+]C[C@@H]1COc2ccccc21)[*:1]
COC[C@H](O)C[NH2+]C[C@@H]1COc2ccccc21 COC[C@H](O)[*:1] c1ccc2c(c1)OC[C@H]2C[NH2+]C[*:1]
CSc1nc2ccccc2n1Cc1ccccc1 c1ccc(cc1)[*:1] CSc1nc2ccccc2n1C[*:1]
CCn1nc(C)c(CNC(=O)N(C)[C@@H](C)c2ccc(OC)cc2)c1C COc1ccc(cc1)[*:1] CCn1nc(C)c(CNC(=O)N(C)[C@@H](C)[*:1])c1C
COC(=O)C[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] COC(=O)C[NH+]1CCCN(CC1)c1ccc(cn1)[*:1]
COC(=O)C[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 COC(=O)C[*:1] FC(F)(F)c1ccc(nc1)N1CCC[NH+](CC1)[*:1]
COC(=O)C[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 COC(=O)[*:1] FC(F)(F)c1ccc(nc1)N1CCC[NH+](CC1)C[*:1]
COc1ccc(CNC(=O)C2(C)CCN(C(=O)C3CC3)CC2)cc1 COc1ccc(cc1)[*:1] CC1(CCN(CC1)C(=O)C1CC1)C(=O)NC[*:1]
COc1ccc(CNC(=O)C2(C)CCN(C(=O)C3CC3)CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CNC(=O)C1(C)CCN(CC1)C(=O)[*:1]
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCNC2=O)cc1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(N[*:1])c1ccc(cc1)N1CCNC1=O
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCNC2=O)cc1 O=C1NCCN1[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
COc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)c1 Fc1ccc(c(F)c1)[*:1] COc1cccc(c1)NC(=O)N1CCC[C@@H]1c1nc(no1)[*:1]
COc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])N1CCC[C@@H]1c1nc(no1)-c1ccc(F)cc1F
CCCCS(=O)(=O)NCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 CCCC[*:1] CC1(C)C[C@@H](NC(=O)CNS(=O)(=O)[*:1])c2ccccc2O1
CCCCS(=O)(=O)NCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 CCCCS(=O)(=O)N[*:1] CC1(C)C[C@@H](NC(=O)C[*:1])c2ccccc2O1
CCCCS(=O)(=O)NCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 CCC[*:1] CC1(C)C[C@@H](NC(=O)CNS(=O)(=O)C[*:1])c2ccccc2O1
CC(=O)N1CCC(Nc2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1 c1cc(cs1)[*:1] CC(=O)N1CCC(CC1)Nc1ncc(c2nc(ccc12)C(F)(F)F)[*:1]
CC(=O)N1CCC(Nc2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1 CC(=O)N1CCC(CC1)[*:1] FC(F)(F)c1ccc2c(ncc(-c3ccsc3)c2n1)N[*:1]
CC(=O)N1CCC(Nc2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1 FC(F)(F)[*:1] CC(=O)N1CCC(CC1)Nc1ncc(-c2ccsc2)c2nc(ccc12)[*:1]
CCOC(=O)/C=C(\C(=O)OCC)n1cc(C)c(=O)[nH]c1=O CCOC(=O)[*:1] CCOC(=O)/C=C(/n1cc(C)c(=O)[nH]c1=O)[*:1]
CCOC(=O)/C=C(\C(=O)OCC)n1cc(C)c(=O)[nH]c1=O CCOC(=O)[*:1] CCOC(=O)C(=C[*:1])n1cc(C)c(=O)[nH]c1=O
C[NH2+]C[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] O=C([O-])[*:1] C[NH2+]C[C@@H](C)C(=O)Nc1ccc(Cl)cc1[*:1]
CCCC1(C[NH2+][C@@H](C)c2ccco2)CC1 c1coc(c1)[*:1] CCCC1(CC1)C[NH2+][C@@H](C)[*:1]
CCCC1(C[NH2+][C@@H](C)c2ccco2)CC1 CCC[*:1] C[C@H]([NH2+]CC1(CC1)[*:1])c1ccco1
COC(=O)CCSc1ccc2c(c1)OCCCO2 COC(=O)CC[*:1] c1cc2OCCCOc2cc1S[*:1]
COC(=O)CCSc1ccc2c(c1)OCCCO2 COC(=O)[*:1] c1cc2OCCCOc2cc1SCC[*:1]
COC(=O)CCSc1ccc2c(c1)OCCCO2 COC(=O)C[*:1] c1cc2OCCCOc2cc1SC[*:1]
Cn1nc(C(=O)Nc2cccnc2)cc1NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)Nc1cccnc1
Cn1nc(C(=O)Nc2cccnc2)cc1NC(=O)c1ccccc1Cl c1cncc(c1)[*:1] Cn1nc(cc1NC(=O)c1ccccc1Cl)C(=O)N[*:1]
CCC(=O)N1CC[C@H](C(=O)NC[C@H]2CCCN(c3ncccn3)C2)C1 c1cnc(nc1)[*:1] CCC(=O)N1CC[C@@H](C1)C(=O)NC[C@H]1CCCN(C1)[*:1]
Cc1cnc([C@@H](C)NC(=O)NC2(c3ccc(Cl)cc3)CC2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)NC1(CC1)c1ccc(Cl)cc1)[*:1]
Cc1cnc([C@@H](C)NC(=O)NC2(c3ccc(Cl)cc3)CC2)s1 Clc1ccc(cc1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NC1(CC1)[*:1]
COC(=O)c1cccc(NC(=O)NCc2ccncc2)c1C c1cc(ccn1)[*:1] COC(=O)c1cccc(NC(=O)NC[*:1])c1C
COC(=O)c1cccc(NC(=O)NCc2ccncc2)c1C c1cc(ccn1)C[*:1] COC(=O)c1cccc(NC(=O)N[*:1])c1C
COC(=O)c1cccc(NC(=O)NCc2ccncc2)c1C COC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)NCc1ccncc1
COCCn1nc([C@H]2CCCN(C(=O)Cn3cccn3)C2)n(C2CC2)c1=O C1CC1[*:1] COCCn1nc([C@H]2CCCN(C2)C(=O)Cn2cccn2)n(c1=O)[*:1]
COCCn1nc([C@H]2CCCN(C(=O)Cn3cccn3)C2)n(C2CC2)c1=O c1cnn(c1)C[*:1] COCCn1nc([C@H]2CCCN(C2)C(=O)[*:1])n(c1=O)C1CC1
COCCn1nc([C@H]2CCCN(C(=O)Cn3cccn3)C2)n(C2CC2)c1=O COCC[*:1] O=C(Cn1cccn1)N1CCC[C@@H](C1)c1nn(c(=O)n1C1CC1)[*:1]
COCCn1nc([C@H]2CCCN(C(=O)Cn3cccn3)C2)n(C2CC2)c1=O COC[*:1] O=C(Cn1cccn1)N1CCC[C@@H](C1)c1nn(C[*:1])c(=O)n1C1CC1
COCCn1nc([C@H]2CCCN(C(=O)Cn3cccn3)C2)n(C2CC2)c1=O c1cnn(c1)[*:1] COCCn1nc([C@H]2CCCN(C2)C(=O)C[*:1])n(c1=O)C1CC1
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)CN(C)c1ccccc1[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 CC(C)[*:1] CN(CC(=O)N1CCN(CC1)[C@H](C#N)[*:1])c1ccccc1[N+](=O)[O-]
O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccccn1)c1c([nH]c(=O)[nH]c1=O)N2 c1ccc(nc1)[*:1] O=C1C[C@H](CC2Nc3[nH]c(=O)[nH]c(=O)c3[C@H](C=21)[*:1])c1ccco1
O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccccn1)c1c([nH]c(=O)[nH]c1=O)N2 c1coc(c1)[*:1] O=C1C[C@@H](CC2Nc3[nH]c(=O)[nH]c(=O)c3[C@@H](C=21)c1ccccn1)[*:1]
Cc1cc(=O)[nH]c(-c2cc(Cl)nc(Oc3ccc(Cl)cc3)c2)n1 Clc1ccc(cc1)[*:1] Cc1cc(=O)[nH]c(n1)-c1cc(Cl)nc(c1)O[*:1]
CN1CCCc2ccc(S(=O)(=O)NCc3cccc(OCC(F)F)n3)cc21 FC(F)CO[*:1] CN1CCCc2ccc(cc21)S(=O)(=O)NCc1cccc(n1)[*:1]
CN1CCCc2ccc(S(=O)(=O)NCc3cccc(OCC(F)F)n3)cc21 FC(F)[*:1] CN1CCCc2ccc(cc21)S(=O)(=O)NCc1cccc(n1)OC[*:1]
CN1CCCc2ccc(S(=O)(=O)NCc3cccc(OCC(F)F)n3)cc21 FC(F)C[*:1] CN1CCCc2ccc(cc21)S(=O)(=O)NCc1cccc(n1)O[*:1]
CN1C(=O)Cc2cc([C@@H](O)CCCCC(=O)[O-])ccc21 O=C([O-])CC[*:1] CN1C(=O)Cc2cc(ccc21)[C@@H](O)CC[*:1]
CN1C(=O)Cc2cc([C@@H](O)CCCCC(=O)[O-])ccc21 O=C([O-])[*:1] CN1C(=O)Cc2cc(ccc21)[C@@H](O)CCCC[*:1]
CN1C(=O)Cc2cc([C@@H](O)CCCCC(=O)[O-])ccc21 O=C([O-])C[*:1] CN1C(=O)Cc2cc(ccc21)[C@@H](O)CCC[*:1]
CN1C(=O)Cc2cc([C@@H](O)CCCCC(=O)[O-])ccc21 O=C([O-])CCC[*:1] CN1C(=O)Cc2cc(ccc21)[C@@H](O)C[*:1]
O=C([O-])COCC(=O)Nc1cccc([N+](=O)[O-])c1 O=C([O-])[*:1] O=C(COC[*:1])Nc1cccc(c1)[N+](=O)[O-]
O=C([O-])COCC(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C([O-])COCC(=O)Nc1cccc(c1)[*:1]
O=C([O-])COCC(=O)Nc1cccc([N+](=O)[O-])c1 O=C([O-])CO[*:1] O=C(C[*:1])Nc1cccc(c1)[N+](=O)[O-]
O=C([O-])COCC(=O)Nc1cccc([N+](=O)[O-])c1 O=C([O-])C[*:1] O=C(CO[*:1])Nc1cccc(c1)[N+](=O)[O-]
O=C([O-])COCC(=O)Nc1cccc([N+](=O)[O-])c1 O=C([O-])COC[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 CC(C)N(C)C(=O)[*:1] O=C(Nc1ccc(cc1)OC(F)F)N1CCC(CC1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 FC(F)O[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 CC(C)[*:1] CN(C(=O)C1CCN(CC1)C(=O)Nc1ccc(cc1)OC(F)F)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 FC(F)[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)Nc1ccc(cc1)O[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCC(=O)NC(C)C Fc1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C[NH2+]CCC(=O)NC(C)C)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCC(=O)NC(C)C CC(C)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCC(=O)N[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCC(=O)NC(C)C CC(C)NC(=O)C[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCC(=O)NC(C)C CC(C)NC(=O)CC[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+][*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCC(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CC[*:1]
Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 Cc1ccc(cc1)[*:1] c1ccc(cc1)-n1c(nnc1-c1cccnc1)SC[*:1]
Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 Cc1ccc(cc1)C[*:1] c1ccc(cc1)-n1c(nnc1-c1cccnc1)S[*:1]
Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)CSc1nnc(n1-c1ccccc1)[*:1]
Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CSc1nnc(-c2cccnc2)n1[*:1]
CN(C)C(=O)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 CN(C)C(=O)C[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@H]1N[*:1]
CN(C)C(=O)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 CN(C)C(=O)[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@H]1NC[*:1]
Cc1ccc(C(=O)NCCNc2cc(-n3ccnc3)ncn2)cc1F c1cn(cn1)[*:1] Cc1ccc(cc1F)C(=O)NCCNc1cc(ncn1)[*:1]
Cc1ccc(C(=O)NCCNc2cc(-n3ccnc3)ncn2)cc1F Cc1ccc(cc1F)[*:1] O=C(NCCNc1cc(ncn1)-n1ccnc1)[*:1]
CCC[NH2+][C@@H]1CCN(CCOC)[C@H](C)[C@@H]1C COCC[*:1] CCC[NH2+][C@@H]1CCN([C@H](C)[C@@H]1C)[*:1]
CCC[NH2+][C@@H]1CCN(CCOC)[C@H](C)[C@@H]1C CCC[*:1] COCCN1CC[C@@H]([NH2+][*:1])[C@@H](C)[C@H]1C
CCC[NH2+][C@@H]1CCN(CCOC)[C@H](C)[C@@H]1C COC[*:1] CCC[NH2+][C@@H]1CCN(C[*:1])[C@H](C)[C@@H]1C
Cc1nn(C)c(C)c1CC(=O)N[C@H](C)c1nnc2n1CCCCC2 Cc1nn(C)c(C)c1[*:1] C[C@@H](NC(=O)C[*:1])c1nnc2CCCCCn21
COC(=O)c1occc1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] COC(=O)c1occc1Cn1cnc(n1)-c1ccc(cc1)[*:1]
COC(=O)c1occc1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 COC(=O)[*:1] O=[N+]([O-])c1ccc(cc1)-c1ncn(Cc2ccoc2[*:1])n1
COC[C@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)C(C)C CC(C)[*:1] COC[C@H]([NH2+][C@@H]1COc2cc(ccc2C1)OC)[*:1]
COC[C@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)C(C)C COC[*:1] COc1ccc2C[C@@H](COc2c1)[NH2+][C@H](C(C)C)[*:1]
COc1ccc(-c2nc(C[S@@](=O)C[C@@H]3CCCCO3)cs2)cc1 C1CC[C@H](OC1)[*:1] COc1ccc(cc1)-c1nc(cs1)C[S@@](=O)C[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2[O-])C1 FC(F)(F)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1ccc(nc1[O-])[*:1]
COc1ccc([C@@H](O)CNC(=O)Nc2cccc3cnccc23)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H](O)[*:1])Nc1cccc2cnccc12
CCOC(=O)[C@@H]1C[C@H](O)[C@H](C(=O)OCC)C[C@@H]1O CCOC(=O)[*:1] CCOC(=O)[C@@H]1C[C@H](O)[C@@H](C[C@@H]1O)[*:1]
COc1cc(C)ccc1NC(=O)c1cccc(OCc2cscn2)c1 c1nc(cs1)C[*:1] COc1cc(C)ccc1NC(=O)c1cccc(c1)O[*:1]
COc1cc(C)ccc1NC(=O)c1cccc(OCc2cscn2)c1 c1nc(cs1)[*:1] COc1cc(C)ccc1NC(=O)c1cccc(c1)OC[*:1]
COc1cc(C)ccc1NC(=O)c1cccc(OCc2cscn2)c1 c1nc(cs1)CO[*:1] COc1cc(C)ccc1NC(=O)c1cccc(c1)[*:1]
Cn1c(SCc2cccnc2)nnc1-c1cccs1 c1cncc(c1)[*:1] Cn1c(nnc1-c1cccs1)SC[*:1]
Cn1c(SCc2cccnc2)nnc1-c1cccs1 c1csc(c1)[*:1] Cn1c(nnc1[*:1])SCc1cccnc1
C=C(C)CN(CC)C(=O)c1cccc(-n2nc([O-])ccc2=O)c1 C=C(C)C[*:1] CCN(C(=O)c1cccc(c1)-n1nc([O-])ccc1=O)[*:1]
C=C(C)CN(CC)C(=O)c1cccc(-n2nc([O-])ccc2=O)c1 C=C(C)[*:1] CCN(C[*:1])C(=O)c1cccc(c1)-n1nc([O-])ccc1=O
CCOc1cc(NC(=O)N[C@@H]2CCCC[C@H]2CO)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])NC(=O)N[C@@H]1CCCC[C@H]1CO
CCC[NH+]1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 CCC[*:1] c1ccc2c(c1)-c1ccccc1C2[NH2+]C1CC[NH+](CC1)[*:1]
C[C@H]1O[C@@H](Sc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@@H](O)[C@@H]1O O=[N+]([O-])[*:1] C[C@H]1O[C@@H](Sc2ccc(cc2)[*:1])[C@@H](O)[C@@H](O)[C@@H]1O
COc1cccc(-n2ccnc2N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 COc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)c1nccn1[*:1]
COCC/[NH+]=C(/N)NC[C@@](C)(O)c1ccsc1 COCC[*:1] C[C@@](O)(CNC(N)=[NH+][*:1])c1ccsc1
COCC/[NH+]=C(/N)NC[C@@](C)(O)c1ccsc1 COC[*:1] C[C@@](O)(CN/C(N)=[NH+]\C[*:1])c1ccsc1
COCC/[NH+]=C(/N)NC[C@@](C)(O)c1ccsc1 c1cc(cs1)[*:1] COCC/[NH+]=C(/N)NC[C@@](C)(O)[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 Cc1ccccc1[*:1] N#C[C@H](NC(=O)c1cnn(c1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] Cc1ccccc1[C@H](C#N)NC(=O)c1cnn(c1)-c1ccc(cc1)[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccccc1[C@H](C#N)NC(=O)c1cnn(c1)[*:1]
CC1(C)CCSC[C@@]1(C[NH3+])NCc1cccs1 c1csc(c1)[*:1] CC1(C)CCSC[C@@]1(C[NH3+])NC[*:1]
O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] O=C(N/N=C/c1ccc(F)cc1)c1ccc(cc1)NC(=O)[*:1]
O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 Fc1ccc(cc1)[*:1] O=C(NN=C[*:1])c1ccc(cc1)NC(=O)c1ccccc1Cl
C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 O=[N+]([O-])[*:1] C[C@H]1C[C@@H]([NH3+])CN(C1)C(=O)c1ccc(o1)[*:1]
Cc1cc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)c(C(C)C)cc1O c1ccc(cc1)[*:1] Cc1cc(N/C(=N\S(=O)(=O)c2ccccc2)[*:1])c(cc1O)C(C)C
Cc1cc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)c(C(C)C)cc1O CC(C)[*:1] Cc1cc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)c(cc1O)[*:1]
Cc1cc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)c(C(C)C)cc1O c1ccc(cc1)[*:1] Cc1cc(N/C(=N\S(=O)(=O)[*:1])c2ccccc2)c(cc1O)C(C)C
COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@@H]1CN1CCOCC1)C2 C1CN(CCO1)C[*:1] COc1ccc2C[C@@H](COc2c1)C(=O)N1CCC[C@H]1[*:1]
COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@@H]1CN1CCOCC1)C2 C1CN(CCO1)[*:1] COc1ccc2C[C@@H](COc2c1)C(=O)N1CCC[C@@H]1C[*:1]
CN(C)C(=O)CCCc1nc2ccccc2s1 CN(C)C(=O)[*:1] c1ccc2sc(CCC[*:1])nc2c1
CCCN(CCC)C(=O)Oc1ccc2ccccc2c1 CCC[*:1] CCCN(C(=O)Oc1ccc2ccccc2c1)[*:1]
CCCCOC(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 CCCC[*:1] O=C(O[*:1])c1ccc(cc1)N1C[C@@H](CC1=O)C(=O)[O-]
CCCCOC(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 O=C([O-])[*:1] CCCCOC(=O)c1ccc(cc1)N1C[C@H](CC1=O)[*:1]
CCCCOC(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 CCCCOC(=O)[*:1] O=C([O-])[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCCCOC(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 CCC[*:1] O=C(OC[*:1])c1ccc(cc1)N1C[C@@H](CC1=O)C(=O)[O-]
CCOC(=O)[C@@H](Nc1ccc(C)cc1)[C@@]1(O)OC(c2ccc(Br)cc2)=CC1=O CCOC(=O)[*:1] Cc1ccc(cc1)N[C@@H]([C@@]1(O)OC(=CC1=O)c1ccc(Br)cc1)[*:1]
CCOC(=O)[C@@H](Nc1ccc(C)cc1)[C@@]1(O)OC(c2ccc(Br)cc2)=CC1=O Brc1ccc(cc1)[*:1] CCOC(=O)[C@@H](Nc1ccc(C)cc1)[C@@]1(O)OC(=CC1=O)[*:1]
CCOC(=O)[C@@H](Nc1ccc(C)cc1)[C@@]1(O)OC(c2ccc(Br)cc2)=CC1=O Cc1ccc(cc1)[*:1] CCOC(=O)[C@@H](N[*:1])[C@@]1(O)OC(=CC1=O)c1ccc(Br)cc1
CCOC(=O)[C@@H](Nc1ccc(C)cc1)[C@@]1(O)OC(c2ccc(Br)cc2)=CC1=O Cc1ccc(cc1)N[*:1] CCOC(=O)[C@@H]([C@@]1(O)OC(=CC1=O)c1ccc(Br)cc1)[*:1]
C[C@H]1CC[C@H](c2noc([C@@H]3CC[C@H](C[NH3+])O3)n2)C1 C[C@H]1CC[C@H](C1)[*:1] [NH3+]C[C@H]1CC[C@H](O1)c1nc(no1)[*:1]
Cc1csc(=O)n1CCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 Cc1csc(=O)n1C[*:1] O=C(C[*:1])NCCc1c[nH]c2ccc(Cl)cc12
Cc1csc(=O)n1CCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 Cc1csc(=O)n1[*:1] O=C(CC[*:1])NCCc1c[nH]c2ccc(Cl)cc12
CC[C@H](C)n1nccc1NC(=O)c1cccnc1 c1cncc(c1)[*:1] CC[C@H](C)n1nccc1NC(=O)[*:1]
CC[C@H](C)n1nccc1NC(=O)c1cccnc1 CC[C@H](C)[*:1] O=C(Nc1ccnn1[*:1])c1cccnc1
CCOc1ccc2cc(C(=O)Nc3ccc(C(C)=O)cc3)c(=O)oc2c1 CC(=O)[*:1] CCOc1ccc2cc(C(=O)Nc3ccc(cc3)[*:1])c(=O)oc2c1
CCOc1ccc2cc(C(=O)Nc3ccc(C(C)=O)cc3)c(=O)oc2c1 CCO[*:1] CC(=O)c1ccc(cc1)NC(=O)c1cc2ccc(cc2oc1=O)[*:1]
Cc1ccc(O[C@H](C)CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)O[*:1]
Cc1ccc(O[C@H](C)CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(O[C@H](C)CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)[C@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(O[C@H](C)CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 Cc1ccc(cc1)O[*:1] C[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[*:1]
CCOCC[NH+](C)CCn1nc2ccccn2c1=O CCO[*:1] C[NH+](CCn1nc2ccccn2c1=O)CC[*:1]
CCOCC[NH+](C)CCn1nc2ccccn2c1=O CCOCC[*:1] C[NH+](CCn1nc2ccccn2c1=O)[*:1]
CCOCC[NH+](C)CCn1nc2ccccn2c1=O CCOC[*:1] C[NH+](CCn1nc2ccccn2c1=O)C[*:1]
COc1cccc(CN(C)C(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1OC O=S(=O)(N1CCOCC1)[*:1] COc1cccc(CN(C)C(=O)c2sccc2[*:1])c1OC
CN1C(=O)C[C@H](NC(=O)c2nnc3ccccc3c2[O-])[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)c2nnc3ccccc3c2[O-])[C@H]1[*:1]
CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 CC(C)OC(=O)[*:1] C[C@@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C1=O)[*:1]
CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 CC(C)[*:1] C[C@@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O[*:1])[C@H]3C1=O
CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 Brc1ccc(cc1)[*:1] CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)[C@@H](C)[*:1])O2
CCN(C(=O)CCc1nc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 CC(C)(C)[*:1] CCN(C(=O)CCc1nc(no1)[*:1])[C@H]1CCS(=O)(=O)C1
CCN(C(=O)CCc1nc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)CCc1nc(no1)C(C)(C)C)[*:1]
Cc1cc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)ccc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 Cc1cc(ccc1[*:1])NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1
Cc1cc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)ccc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)[*:1])NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1
Cc1cc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)ccc1NC(=O)c1ccccc1 Clc1cc(Cl)cc(c1)[*:1] Cc1cc(ccc1NC(=O)c1ccccc1)NC(=S)NC(=O)[*:1]
[NH3+][C@H]1CCCCC[C@H]1C(=O)NCc1nc[nH]n1 c1nc(n[nH]1)[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)NC[*:1]
CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCn1c(nnc1[C@H](C)O[*:1])SCC(N)=O
CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(F)cc1 NC(=O)[*:1] CCn1c(nnc1[C@H](C)Oc1ccc(F)cc1)SC[*:1]
CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(F)cc1 NC(=O)C[*:1] CCn1c(nnc1[C@H](C)Oc1ccc(F)cc1)S[*:1]
CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(F)cc1 NC(=O)CS[*:1] CCn1c(nnc1[*:1])[C@H](C)Oc1ccc(F)cc1
O=C(Cn1cnc2ccccc2c1=O)Nc1nc(-c2ccc(Cl)s2)cs1 Clc1ccc(s1)[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1nc(cs1)[*:1]
O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)NC1CC1 c1cncc(c1)[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)[*:1])C(=O)NC1CC1
O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)NC1CC1 C1CC1[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)c1cccnc1)C(=O)N[*:1]
C[C@@H]1C[C@H](Sc2nnc(N3CCCC3)n2Cc2ccco2)C(=O)O1 C1CCN(C1)[*:1] C[C@@H]1C[C@H](Sc2nnc(n2Cc2ccco2)[*:1])C(=O)O1
C[C@@H]1C[C@H](Sc2nnc(N3CCCC3)n2Cc2ccco2)C(=O)O1 c1coc(c1)[*:1] C[C@@H]1C[C@H](Sc2nnc(N3CCCC3)n2C[*:1])C(=O)O1
C[C@@H]1C[C@H](Sc2nnc(N3CCCC3)n2Cc2ccco2)C(=O)O1 c1coc(c1)C[*:1] C[C@@H]1C[C@H](Sc2nnc(N3CCCC3)n2[*:1])C(=O)O1
CCOc1ccccc1CN1CCOc2c(O)cc(-c3ccccn3)cc2C1 CCOc1ccccc1[*:1] Oc1cc(cc2CN(CCOc12)C[*:1])-c1ccccn1
CCOc1ccccc1CN1CCOc2c(O)cc(-c3ccccn3)cc2C1 CCO[*:1] Oc1cc(cc2CN(CCOc12)Cc1ccccc1[*:1])-c1ccccn1
CCOc1ccccc1CN1CCOc2c(O)cc(-c3ccccn3)cc2C1 c1ccc(nc1)[*:1] CCOc1ccccc1CN1CCOc2c(O)cc(cc2C1)[*:1]
CCOCCN(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 CCOCC[*:1] CN(S(=O)(=O)c1cccc(c1)-n1cnnn1)[*:1]
CCOCCN(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 CCOC[*:1] CN(C[*:1])S(=O)(=O)c1cccc(c1)-n1cnnn1
CCOCCN(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 CCO[*:1] CN(CC[*:1])S(=O)(=O)c1cccc(c1)-n1cnnn1
CCOCCN(C)S(=O)(=O)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] CCOCCN(C)S(=O)(=O)c1cccc(c1)[*:1]
CCn1c(=O)c(N2CCC(C(=O)N3CCCC3)CC2)c(C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] CCn1c(=O)c(c(C)n(c1=O)[*:1])N1CCC(CC1)C(=O)N1CCCC1
CCn1c(=O)c(N2CCC(C(=O)N3CCCC3)CC2)c(C)n(-c2ccccc2)c1=O O=C(N1CCCC1)[*:1] CCn1c(=O)c(c(C)n(-c2ccccc2)c1=O)N1CCC(CC1)[*:1]
C[C@H](NC1=[NH+]CCCCC1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](NC1CCCCC[NH+]=1)[*:1]
O=C(NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)NC1CC1 Clc1ccc(cc1)[*:1] O=C(NNC(=O)c1ccc(cc1)CO[*:1])NC1CC1
O=C(NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)NC1CC1 C1CC1[*:1] O=C(NNC(=O)c1ccc(cc1)COc1ccc(Cl)cc1)N[*:1]
O=C(NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)NC1CC1 Clc1ccc(cc1)O[*:1] O=C(NNC(=O)c1ccc(cc1)C[*:1])NC1CC1
Cc1nonc1CC(=O)N1CCC(c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1 Cc1nonc1C[*:1] CC(C)c1cc(n2nc(cc2n1)C1CCN(CC1)C(=O)[*:1])C(F)(F)F
Cc1nonc1CC(=O)N1CCC(c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1 Cc1nonc1[*:1] CC(C)c1cc(n2nc(cc2n1)C1CCN(CC1)C(=O)C[*:1])C(F)(F)F
Cc1nonc1CC(=O)N1CCC(c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1 CC(C)[*:1] Cc1nonc1CC(=O)N1CCC(CC1)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
Cc1nonc1CC(=O)N1CCC(c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1 FC(F)(F)[*:1] Cc1nonc1CC(=O)N1CCC(CC1)c1cc2nc(cc(n2n1)[*:1])C(C)C
C[C@]1(CNc2cc[nH+]c3cc(Cl)ccc23)CCCO1 C[C@@]1(CCCO1)[*:1] Clc1ccc2c(cc[nH+]c2c1)NC[*:1]
Cc1n[nH]c(C(=O)N(C)[C@@H]2CCCc3ccccc32)n1 Cc1n[nH]c(n1)[*:1] CN(C(=O)[*:1])[C@@H]1CCCc2ccccc21
CC(=O)c1ccccc1C(=O)Nc1ccc(SC(F)F)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)SC(F)F)c1ccccc1[*:1]
CC(=O)c1ccccc1C(=O)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] CC(=O)c1ccccc1C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccccc1C(=O)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] CC(=O)c1ccccc1C(=O)Nc1ccc(cc1)S[*:1]
Cc1c(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
Cc1c(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cnn1C(C)C Fc1cc(ccc1Cl)[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@H]1CCO[C@@H]1[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cccc(CN4CCCC4=O)c3)cc2C1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)CN1CCCC1=O)c1cc2C[C@@H](CCc2s1)[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cccc(CN4CCCC4=O)c3)cc2C1 O=C1CCCN1C[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)Nc1cccc(c1)[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cccc(CN4CCCC4=O)c3)cc2C1 O=C1CCCN1[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)Nc1cccc(c1)C[*:1]
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCCOc1ccccc1C)c1c(C)cccc12 Cc1ccccc1OCCC[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(c1c(C)cccc12)[*:1]
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCCOc1ccccc1C)c1c(C)cccc12 Cc1ccccc1OC[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CC[*:1])c1c(C)cccc12
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCCOc1ccccc1C)c1c(C)cccc12 Cc1ccccc1O[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCC[*:1])c1c(C)cccc12
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCCOc1ccccc1C)c1c(C)cccc12 Cc1ccccc1OCC[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C[*:1])c1c(C)cccc12
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCCOc1ccccc1C)c1c(C)cccc12 Cc1ccccc1[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCCO[*:1])c1c(C)cccc12
O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(o1)[*:1]
O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(o1)-c1cccc(c1)[*:1]
CCOc1ccccc1CCC(=O)N1CCC[C@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] CCOc1ccccc1CCC(=O)N1CCC[C@@H]1[*:1]
CCOc1ccccc1CCC(=O)N1CCC[C@H]1c1cccc(OC)c1 CCO[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)CCc1ccccc1[*:1]
O=C(NCc1cc[nH]n1)NC[C@H]1CCCO1 c1cc(n[nH]1)[*:1] O=C(NC[C@H]1CCCO1)NC[*:1]
O=C(NCc1cc[nH]n1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NCc1cc[nH]n1)NC[*:1]
CCOc1ccc(OC)cc1NC(=O)NC[C@](C)(O)c1ccc(F)cc1 CCO[*:1] COc1ccc(c(c1)NC(=O)NC[C@](C)(O)c1ccc(F)cc1)[*:1]
CCOc1ccc(OC)cc1NC(=O)NC[C@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1NC(=O)NC[C@](C)(O)[*:1])OC
C=CCOCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] C=CCOCC1CCN(CC1)C(=O)N[*:1]
C=CCOCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 C=CCOC[*:1] O=C(Nc1cccc(Cl)c1)N1CCC(CC1)[*:1]
C=CCOCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 C=CC[*:1] O=C(Nc1cccc(Cl)c1)N1CCC(CC1)CO[*:1]
C=CCOCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 C=CCO[*:1] O=C(Nc1cccc(Cl)c1)N1CCC(CC1)C[*:1]
COC(=O)c1cccc(C)c1[N-]S(=O)(=O)c1cc(F)ccc1C COC(=O)[*:1] Cc1ccc(F)cc1S(=O)(=O)[N-]c1c(C)cccc1[*:1]
COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c2cc1OC c1coc(c1)[*:1] COc1cc2c(=O)n(C[*:1])c(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c2cc1OC
COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c2cc1OC O=C(Nc1ccc(F)c(Cl)c1)[*:1] COc1cc2c(=O)n(Cc3ccco3)c(=O)n(C[*:1])c2cc1OC
COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c2cc1OC c1coc(c1)C[*:1] COc1cc2c(=O)n(c(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c2cc1OC)[*:1]
COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c2cc1OC Fc1ccc(cc1Cl)[*:1] COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)N[*:1])c2cc1OC
O=C(Cc1csc(-c2cccc(F)c2)n1)NCCCC(=O)N1Cc2ccccc2C1 Fc1cccc(c1)[*:1] O=C(Cc1csc(n1)[*:1])NCCCC(=O)N1Cc2ccccc2C1
CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)[C@@H]1CCCN(C1)[*:1]
CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCCN(C1)c1ncccn1
O=C([O-])COc1ccccc1/C=N/N1[C@H]([C@@H]2C=C(c3ccccc3)N=N2)N=N[C@@H]1S c1ccc(cc1)[*:1] O=C([O-])COc1ccccc1/C=N/N1[C@@H](N=N[C@@H]1S)[C@@H]1C=C(N=N1)[*:1]
O=C([O-])COc1ccccc1/C=N/N1[C@H]([C@@H]2C=C(c3ccccc3)N=N2)N=N[C@@H]1S O=C([O-])C[*:1] S[C@H]1N=N[C@@H]([C@@H]2C=C(N=N2)c2ccccc2)N1/N=C/c1ccccc1O[*:1]
O=C([O-])COc1ccccc1/C=N/N1[C@H]([C@@H]2C=C(c3ccccc3)N=N2)N=N[C@@H]1S O=C([O-])CO[*:1] S[C@H]1N=N[C@@H]([C@@H]2C=C(N=N2)c2ccccc2)N1/N=C/c1ccccc1[*:1]
O=C([O-])COc1ccccc1/C=N/N1[C@H]([C@@H]2C=C(c3ccccc3)N=N2)N=N[C@@H]1S O=C([O-])[*:1] S[C@H]1N=N[C@@H]([C@@H]2C=C(N=N2)c2ccccc2)N1/N=C/c1ccccc1OC[*:1]
CC[S@](=O)c1ccccc1C(=O)OCc1csc(NC(C)=O)n1 CC(=O)N[*:1] CC[S@](=O)c1ccccc1C(=O)OCc1csc(n1)[*:1]
O=C1CN(C(=O)NCCn2cccc2)CCN1 c1ccn(c1)[*:1] O=C1CN(CCN1)C(=O)NCC[*:1]
Cc1ccc(S(=O)(=O)CC(=O)c2ccc[nH]2)c(C)c1 c1c[nH]c(c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)CC(=O)[*:1]
[NH3+][C@@H](C1CCCCC1)[C@@H]1CCOC2(CCCCC2)C1 C1CCC(CC1)[*:1] [NH3+][C@@H]([C@@H]1CCOC2(CCCCC2)C1)[*:1]
Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CC[C@H](C)O C[C@H](O)C[*:1] Cc1ccc(cc1NC(=O)C(=O)N(C)C[*:1])C[NH+](C)C
Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CC[C@H](C)O C[C@H](O)CC[*:1] Cc1ccc(cc1NC(=O)C(=O)N(C)[*:1])C[NH+](C)C
Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CC[C@H](C)O C[C@H](O)[*:1] Cc1ccc(cc1NC(=O)C(=O)N(C)CC[*:1])C[NH+](C)C
CC/[NH+]=C(/NC[C@@H](C)c1ccc(F)cc1F)NC1CCN(C(N)=O)CC1 Fc1ccc(c(F)c1)[*:1] CC/[NH+]=C(/NC[C@@H](C)[*:1])NC1CCN(CC1)C(N)=O
NC(=O)[C@@]1([NH3+])CCC[C@H]1CCN1CCO[C@@H]2CCC[C@H]21 NC(=O)[*:1] [NH3+][C@]1(CCC[C@H]1CCN1CCO[C@@H]2CCC[C@H]21)[*:1]
CCCNC(=O)CN(C)C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 CCCNC(=O)[*:1] CN(C[*:1])C(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
CCCNC(=O)CN(C)C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 Clc1ccc(Cl)c(c1)[*:1] CCCNC(=O)CN(C)C(=O)c1ccc(o1)[*:1]
CCCNC(=O)CN(C)C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 CCC[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
CCCNC(=O)CN(C)C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 CCCNC(=O)C[*:1] CN(C(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl)[*:1]
COCC1CCN(C(=O)[C@H]2Cc3[nH+]c[nH]c3CN2)CC1 COC[*:1] O=C([C@H]1Cc2[nH+]c[nH]c2CN1)N1CCC(CC1)[*:1]
O=C(NCCC(F)(F)F)N[C@@H]1CCc2c(Br)cccc21 FC(F)(F)[*:1] O=C(NCC[*:1])N[C@@H]1CCc2c(Br)cccc21
O=C(NCCC(F)(F)F)N[C@@H]1CCc2c(Br)cccc21 FC(F)(F)C[*:1] O=C(NC[*:1])N[C@@H]1CCc2c(Br)cccc21
O=C(NCCC(F)(F)F)N[C@@H]1CCc2c(Br)cccc21 FC(F)(F)CC[*:1] O=C(N[C@@H]1CCc2c(Br)cccc21)N[*:1]
CO[C@@H]1CCCN(C(=O)NCc2cnn(C)c2)C1 Cn1cc(cn1)[*:1] CO[C@@H]1CCCN(C1)C(=O)NC[*:1]
Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCc4ccccc43)c2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCc2ccccc21
Cc1nc(C[S@](=O)CC(=O)N2CCC[C@H]3CCCC[C@@H]32)sc1C Cc1nc(sc1C)[*:1] O=C(C[S@@](=O)C[*:1])N1CCC[C@H]2CCCC[C@@H]21
C[C@H](NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21)[*:1]
C[C@H](NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21)c1ccc(Cl)s1 C[C@H](c1ccc(Cl)s1)[*:1] C[C@H]1Oc2ccccc2N(CC(=O)N[*:1])C1=O
CC(C)=CCSc1ccccc1C(=O)N(C)C[C@H](O)C1CC1 CC(C)=CC[*:1] CN(C[C@H](O)C1CC1)C(=O)c1ccccc1S[*:1]
CC(C)=CCSc1ccccc1C(=O)N(C)C[C@H](O)C1CC1 CC(C)=CCS[*:1] CN(C[C@H](O)C1CC1)C(=O)c1ccccc1[*:1]
CC(C)=CCSc1ccccc1C(=O)N(C)C[C@H](O)C1CC1 CC(C)=C[*:1] CN(C[C@H](O)C1CC1)C(=O)c1ccccc1SC[*:1]
CC(C)=CCSc1ccccc1C(=O)N(C)C[C@H](O)C1CC1 C1CC1[*:1] CC(C)=CCSc1ccccc1C(=O)N(C)C[C@H](O)[*:1]
COc1cccc([C@H](CO)NC(=O)c2cnn(-c3ccccc3C)c2C)c1 COc1cccc(c1)[*:1] Cc1ccccc1-n1ncc(C(=O)N[C@@H](CO)[*:1])c1C
COc1cccc([C@H](CO)NC(=O)c2cnn(-c3ccccc3C)c2C)c1 Cc1ccccc1[*:1] COc1cccc(c1)[C@H](CO)NC(=O)c1cnn(c1C)[*:1]
CCc1ccc(S(=O)(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1 Cc1noc(C)c1[*:1] CCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1]
CCc1ccc(S(=O)(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1 CCc1ccc(cc1)[*:1] Cc1noc(C)c1CN1CCN(CC1)S(=O)(=O)[*:1]
CCc1ccc(S(=O)(=O)N2CCN(Cc3c(C)noc3C)CC2)cc1 Cc1noc(C)c1C[*:1] CCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CCc1ncc(CN(C)C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)s1 COc1cccc(c1)[*:1] CCc1ncc(CN(C)C(=O)NC[C@@H]2CCN(C2)[*:1])s1
CCc1ncc(CN(C)C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)s1 CCc1ncc(C[*:1])s1 COc1cccc(c1)N1CC[C@@H](CNC(=O)N(C)[*:1])C1
CCc1ncc(CN(C)C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)s1 CCc1ncc(s1)[*:1] COc1cccc(c1)N1CC[C@@H](CNC(=O)N(C)C[*:1])C1
CN(C(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CN(C(=O)CN1C(=O)SC(=C[*:1])C1=O)[C@H]1CCS(=O)(=O)C1
Cc1ccccc1C(=O)Nc1ccc(I)cc1C(=O)Nc1ccccn1 c1ccc(nc1)[*:1] Cc1ccccc1C(=O)Nc1ccc(I)cc1C(=O)N[*:1]
Cc1ccccc1C(=O)Nc1ccc(I)cc1C(=O)Nc1ccccn1 Cc1ccccc1[*:1] O=C(Nc1ccccn1)c1cc(I)ccc1NC(=O)[*:1]
Cc1cccc(NC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)Cn2c3ccc(F)cc3c3ncn(C[*:1])c(=O)c32)c1C
Cc1cccc(NC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1C Cc1cccc(NC(=O)[*:1])c1C O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2C[*:1]
Cc1cccc(NC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1C Cc1cccc(c1C)[*:1] O=C(Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21)N[*:1]
Cc1cccc(NC(=O)Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1C c1ccc(cc1)C[*:1] Cc1cccc(NC(=O)Cn2c3ccc(F)cc3c3ncn(c(=O)c32)[*:1])c1C
O=C1C[C@@H](C(=O)OCCOc2ccccc2F)c2ccccc2N1 Fc1ccccc1O[*:1] O=C1C[C@@H](C(=O)OCC[*:1])c2ccccc2N1
O=C1C[C@@H](C(=O)OCCOc2ccccc2F)c2ccccc2N1 Fc1ccccc1[*:1] O=C1C[C@@H](C(=O)OCCO[*:1])c2ccccc2N1
Cc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CN(C2CC2)CCO1 Cc1ccccc1[*:1] C[C@@H](CC(=O)N[*:1])NC[C@@H]1CN(CCO1)C1CC1
Cc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CN(C2CC2)CCO1 C1CC1[*:1] Cc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CN(CCO1)[*:1]
C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)[*:1]
C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)c1cccs1 C[C@H](c1cccs1)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1cccnc1
C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)c1cccs1 c1cncc(c1)[*:1] C[C@H](NC(=O)CN(C)S(=O)(=O)[*:1])c1cccs1
C[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)c1cccs1 c1csc(c1)[*:1] C[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)[*:1]
C[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)c1cccs1 C[C@@H](c1cccs1)[*:1] O=C(Cc1c[nH]c2ccccc12)NC[*:1]
COc1ccc(-c2nnc(SCc3cn4cc(Cl)ccc4n3)n2C[C@@H]2CCCO2)cc1 COc1ccc(cc1)[*:1] Clc1ccc2nc(cn2c1)CSc1nnc(n1C[C@@H]1CCCO1)[*:1]
COc1ccc(-c2nnc(SCc3cn4cc(Cl)ccc4n3)n2C[C@@H]2CCCO2)cc1 Clc1ccc2nc(cn2c1)[*:1] COc1ccc(cc1)-c1nnc(SC[*:1])n1C[C@@H]1CCCO1
Nc1nc(SCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)n[nH]1 Nc1nc(n[nH]1)[*:1] O=C(CS[*:1])Nc1cccc(c1)-c1nc2ccccc2s1
Nc1nc(SCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)n[nH]1 Nc1nc(n[nH]1)SC[*:1] O=C(Nc1cccc(c1)-c1nc2ccccc2s1)[*:1]
Nc1nc(SCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)n[nH]1 Nc1nc(n[nH]1)S[*:1] O=C(C[*:1])Nc1cccc(c1)-c1nc2ccccc2s1
C[C@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(c2nccs2)CC1 c1csc(n1)[*:1] C[C@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(CC1)[*:1]
C[C@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(c2nccs2)CC1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)c1nccs1
CCC1(CNC(=O)c2cccc3c2OCO3)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])c1cccc2OCOc21
CC(C)c1cc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)nn1C c1cc(ccn1)[*:1] CC(C)c1cc(nn1C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(C)c1cc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)nn1C O=C(Nc1ccncc1)[*:1] CC(C)c1cc(nn1C)C(=O)Nc1cccc(c1)[*:1]
CC(C)c1cc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)Nc1cccc(c1)C(=O)Nc1ccncc1
CC(C)c1cc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)nn1C CC(C)c1cc(nn1C)[*:1] O=C(Nc1ccncc1)c1cccc(c1)NC(=O)[*:1]
Cc1ccc(C(=O)CSc2nnc3ccc(-c4ccco4)nn23)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnc2ccc(nn12)-c1ccco1)[*:1]
Cc1ccc(C(=O)CSc2nnc3ccc(-c4ccco4)nn23)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C(=O)CSc1nnc2ccc(nn12)[*:1]
CCOC(=O)Cc1csc(-c2ccncc2)n1 CCOC(=O)[*:1] c1cc(ccn1)-c1nc(cs1)C[*:1]
COc1cc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)c(OC)cc1Cl C1CN(CCO1)[*:1] COc1cc(/N=C2/C(=O)N(C[*:1])c3ccccc32)c(cc1Cl)OC
COc1cc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)c(OC)cc1Cl C1CN(CCO1)C[*:1] COc1cc(/N=C2/C(=O)N(c3ccccc32)[*:1])c(cc1Cl)OC
COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1 Cc1ccccc1C[*:1] COc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1Cn1c(=O)c2c(nc3N(CCCn32)[*:1])n(C)c1=O
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] O=C(N/N=C/c1ccc2OCOc2c1)c1ccc(cc1)[*:1]
CC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 c1ccc(cc1)C[*:1] CC[C@H](c1nnnn1[*:1])[NH+]1CCN(CC1)c1cccc(Cl)c1
CC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(CC1)[*:1]
CC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 c1ccc(cc1)[*:1] CC[C@H](c1nnnn1C[*:1])[NH+]1CCN(CC1)c1cccc(Cl)c1
COC(=O)c1nc(NC(=O)c2ccc(F)cc2)n[nH]1 COC(=O)[*:1] O=C(Nc1n[nH]c(n1)[*:1])c1ccc(F)cc1
CCc1ccc(-c2nc(C)c(C(=O)Nc3nonc3C)s2)cc1 Cc1nonc1[*:1] CCc1ccc(cc1)-c1nc(C)c(s1)C(=O)N[*:1]
COC[C@@H](C)Nc1cccc(F)c1C(N)=S COC[C@@H](C)[*:1] NC(=S)c1c(F)cccc1N[*:1]
COC[C@@H](C)Nc1cccc(F)c1C(N)=S COC[*:1] C[C@@H](Nc1cccc(F)c1C(N)=S)[*:1]
COC[C@@H](C)Nc1cccc(F)c1C(N)=S NC(=S)[*:1] COC[C@@H](C)Nc1cccc(F)c1[*:1]
Cn1cc(C2CC[NH+](Cc3ccc(F)cc3OC(F)(F)F)CC2)cn1 FC(F)(F)O[*:1] Cn1cc(cn1)C1CC[NH+](CC1)Cc1ccc(F)cc1[*:1]
Cn1cc(C2CC[NH+](Cc3ccc(F)cc3OC(F)(F)F)CC2)cn1 FC(F)(F)[*:1] Cn1cc(cn1)C1CC[NH+](CC1)Cc1ccc(F)cc1O[*:1]
Cn1cc(C2CC[NH+](Cc3ccc(F)cc3OC(F)(F)F)CC2)cn1 Cn1cc(cn1)[*:1] Fc1ccc(C[NH+]2CCC(CC2)[*:1])c(c1)OC(F)(F)F
O=C1NC2(CCCCC2)C(=O)N1CN1CCCC[C@@H]1c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C1NC2(CCCCC2)C(=O)N1CN1CCCC[C@H]1[*:1]
C[C@@H](CCO)S[C@H](C)C(=O)c1ccc(F)c(F)c1 OCC[*:1] C[C@@H](S[C@H](C)C(=O)c1ccc(F)c(F)c1)[*:1]
C[C@@H](CCO)S[C@H](C)C(=O)c1ccc(F)c(F)c1 C[C@@H](CCO)[*:1] C[C@@H](S[*:1])C(=O)c1ccc(F)c(F)c1
C[C@@H](CCO)S[C@H](C)C(=O)c1ccc(F)c(F)c1 C[C@@H](CCO)S[*:1] C[C@H](C(=O)c1ccc(F)c(F)c1)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)NC(C2CC2)C2CC2)cc1 C1CC1[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)NC(C1CC1)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)NC(C2CC2)C2CC2)cc1 CN(C)C(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])NC(C1CC1)C1CC1
CN(C)C(=O)c1ccc(CNC(=O)NC(C2CC2)C2CC2)cc1 C1CC1C(C1CC1)[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)N[*:1]
Cc1ccc(NCc2noc(C(C)C)n2)c(OCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccc(NCc2noc(n2)C(C)C)c(c1)OC[*:1]
Cc1ccc(NCc2noc(C(C)C)n2)c(OCC(=O)N(C)C)c1 CC(C)[*:1] Cc1ccc(NCc2noc(n2)[*:1])c(c1)OCC(=O)N(C)C
Cc1ccc(NCc2noc(C(C)C)n2)c(OCC(=O)N(C)C)c1 CC(C)c1nc(no1)[*:1] Cc1ccc(NC[*:1])c(c1)OCC(=O)N(C)C
Cc1ccc(NCc2noc(C(C)C)n2)c(OCC(=O)N(C)C)c1 CN(C)C(=O)CO[*:1] Cc1ccc(NCc2noc(n2)C(C)C)c(c1)[*:1]
Cc1ccc(NCc2noc(C(C)C)n2)c(OCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] Cc1ccc(NCc2noc(n2)C(C)C)c(c1)O[*:1]
N#Cc1ccncc1N1CCC(Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] N#Cc1ccncc1N1CCC(CC1)N[*:1]
CCCNC(=O)c1cc(=O)[nH]c2c(C)cccc12 CCCNC(=O)[*:1] Cc1cccc2c(cc(=O)[nH]c12)[*:1]
CCCNC(=O)c1cc(=O)[nH]c2c(C)cccc12 CCC[*:1] Cc1cccc2c(cc(=O)[nH]c12)C(=O)N[*:1]
CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 CC(C)[*:1] C[C@H]1C[C@H](CC(C)(C)C1)NC(=O)C[C@@H]1CSc2nc(cc(=O)n21)[*:1]
CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NC[C@H]2CCCO2)cc1 CC(C)(C)[*:1] O=C(NC[C@H]1CCCO1)[C@H]1CSCN1C(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] CC(C)(C)c1ccc(cc1)C(=O)N1CSC[C@@H]1C(=O)N[*:1]
CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N1CSC[C@@H]1C(=O)NC[*:1]
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccco2)CC1 c1coc(c1)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1NC(=O)[*:1])C(=O)OC
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccco2)CC1 COC(=O)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1NC(=O)c1ccco1)[*:1]
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccco2)CC1 O=C(N[*:1])c1ccco1 CC[NH+]1CCN(CC1)c1ccc(cc1[*:1])C(=O)OC
Cc1noc(C)c1C(=O)Nc1ccccc1N1CCc2ccccc21 Cc1noc(C)c1[*:1] O=C(Nc1ccccc1N1CCc2ccccc21)[*:1]
COc1ccc(N2C[C@@H](C(=O)N3CCCSC[C@@H]3C[NH+](C)C)CC2=O)cc1 COc1ccc(cc1)[*:1] C[NH+](C)C[C@H]1CSCCCN1C(=O)[C@H]1CC(=O)N(C1)[*:1]
COCCn1c(C)cc(/C=C(/C#N)C(N)=O)c1C COCC[*:1] Cc1cc(/C=C(/C#N)C(N)=O)c(C)n1[*:1]
COCCn1c(C)cc(/C=C(/C#N)C(N)=O)c1C COC[*:1] Cc1cc(/C=C(/C#N)C(N)=O)c(C)n1C[*:1]
COCCn1c(C)cc(/C=C(/C#N)C(N)=O)c1C NC(=O)[*:1] COCCn1c(C)cc(C=C(C#N)[*:1])c1C
CCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 CCO[*:1] Cc1nn(-c2nc3ccccc3s2)c2NC(=O)CS[C@@H](c3ccccc3[*:1])c12
CCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 CCOc1ccccc1[*:1] Cc1nn(-c2nc3ccccc3s2)c2NC(=O)CS[C@H](c12)[*:1]
CCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] CCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2[*:1]
CC(C)n1nccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C CC(C)[*:1] Cn1cc(cc1C(=O)Nc1ccnn1[*:1])S(=O)(=O)N1CCCCC1
CC(C)n1nccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C CC(C)n1nccc1[*:1] Cn1cc(cc1C(=O)N[*:1])S(=O)(=O)N1CCCCC1
O=[N+]([O-])c1ccc2c(c1)c(Br)nn2[N+](=O)[O-] O=[N+]([O-])[*:1] O=[N+]([O-])n1nc(Br)c2cc(ccc21)[*:1]
CCCOC(=O)[C@H](C)Sc1nc([O-])c(C#N)c(-c2ccc(Cl)cc2)n1 CCCOC(=O)[C@H](C)[*:1] N#Cc1c([O-])nc(nc1-c1ccc(Cl)cc1)S[*:1]
CCCOC(=O)[C@H](C)Sc1nc([O-])c(C#N)c(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCCOC(=O)[C@H](C)Sc1nc([O-])c(C#N)c(n1)[*:1]
CCCOC(=O)[C@H](C)Sc1nc([O-])c(C#N)c(-c2ccc(Cl)cc2)n1 CCC[*:1] C[C@H](Sc1nc([O-])c(C#N)c(n1)-c1ccc(Cl)cc1)C(=O)O[*:1]
CCCOC(=O)[C@H](C)Sc1nc([O-])c(C#N)c(-c2ccc(Cl)cc2)n1 CCCOC(=O)[*:1] C[C@H](Sc1nc([O-])c(C#N)c(n1)-c1ccc(Cl)cc1)[*:1]
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1F O=[N+]([O-])[*:1] O=C(OCc1cccc(c1)[*:1])c1ccccc1F
COCc1cc(C(=O)NNc2nc(-c3ccccc3)no2)no1 c1ccc(cc1)[*:1] COCc1cc(no1)C(=O)NNc1nc(no1)[*:1]
COCc1cc(C(=O)NNc2nc(-c3ccccc3)no2)no1 COC[*:1] O=C(NNc1nc(no1)-c1ccccc1)c1cc(on1)[*:1]
C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)c1cc(ccc1Cl)S(C)(=O)=O)[*:1]
C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCCO1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)c1cc(ccc1Cl)[*:1])[C@@H]1CCCO1
Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc4c(c3)OCCO4)c12 c1cc2OCCOc2cc1[*:1] Cc1nn(-c2ccccc2)c2nc(cc(C(=O)N[*:1])c12)C1CC1
Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc4c(c3)OCCO4)c12 C1CC1[*:1] Cc1nn(-c2ccccc2)c2nc(cc(C(=O)Nc3ccc4OCCOc4c3)c12)[*:1]
Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc4c(c3)OCCO4)c12 c1ccc(cc1)[*:1] Cc1nn(c2nc(cc(C(=O)Nc3ccc4OCCOc4c3)c12)C1CC1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)[C@@H]2C(=O)N[C@@]3(C)C[C@@H]2c2cc(Br)ccc2O3)cc1 CC(C)(C)[*:1] C[C@]12C[C@H](c3cc(Br)ccc3O1)[C@@H](C(=O)N2)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(C(=O)C(=O)Nc2ccnc(-c3ccccc3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccnc(n1)-c1ccccc1)C(=O)[*:1]
COc1ccc(C(=O)C(=O)Nc2ccnc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C(=O)Nc1ccnc(n1)[*:1]
C[C@H](CCCO)Nc1ccc(C#N)c(N)c1 OCC[*:1] C[C@H](C[*:1])Nc1ccc(C#N)c(N)c1
C[C@H](CCCO)Nc1ccc(C#N)c(N)c1 OCCC[*:1] C[C@H](Nc1ccc(C#N)c(N)c1)[*:1]
COc1ccccc1[C@@H](NC(=O)/C=C/c1cnn(C)c1C)c1ccccn1 Cc1c(C=C[*:1])cnn1C COc1ccccc1[C@@H](NC(=O)[*:1])c1ccccn1
COc1ccccc1[C@@H](NC(=O)/C=C/c1cnn(C)c1C)c1ccccn1 Cc1c(cnn1C)[*:1] COc1ccccc1[C@@H](NC(=O)C=C[*:1])c1ccccn1
COc1ccccc1[C@@H](NC(=O)/C=C/c1cnn(C)c1C)c1ccccn1 COc1ccccc1[*:1] Cc1c(/C=C/C(=O)N[C@@H](c2ccccn2)[*:1])cnn1C
COc1ccccc1[C@@H](NC(=O)/C=C/c1cnn(C)c1C)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)/C=C/c1cnn(C)c1C)[*:1]
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1[*:1]
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1C(=O)N[*:1]
CC1CCC(NC(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1 CC1CCC(CC1)[*:1] O=C(Cc1ccc(Cl)cc1)NNC(=O)N[*:1]
CC1CCC(NC(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC1CCC(CC1)NC(=O)NNC(=O)C[*:1]
CSC[C@@H](C)C(=O)NCc1sc(-c2ccccc2)nc1C CSC[*:1] Cc1nc(sc1CNC(=O)[C@H](C)[*:1])-c1ccccc1
CSC[C@@H](C)C(=O)NCc1sc(-c2ccccc2)nc1C c1ccc(cc1)[*:1] CSC[C@@H](C)C(=O)NCc1sc(nc1C)[*:1]
CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H]([NH2+][C@H](C)c1ccc(cc1)S(=O)(=O)CC)[*:1]
CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1)c1c(C)noc1C CCS(=O)(=O)[*:1] CC[C@@H]([NH2+][C@H](C)c1ccc(cc1)[*:1])c1c(C)noc1C
CCc1c(C)nc(SCc2nc(-c3cccc(Cl)c3)no2)[nH]c1=O Clc1cccc(c1)[*:1] CCc1c(C)nc([nH]c1=O)SCc1nc(no1)[*:1]
COc1ccc(C([NH2+]Cc2ccncc2)c2ccc(OC)cc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)C([NH2+]C[*:1])c1ccc(cc1)OC
COc1ccc(C([NH2+]Cc2ccncc2)c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C([NH2+]Cc1ccncc1)[*:1]
Cc1n[nH]c(=O)c(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)c1C C[C@H](O)[*:1] Cc1n[nH]c(=O)c(C(=O)N[C@H](C(=O)[O-])[*:1])c1C
Cc1n[nH]c(=O)c(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)c1C O=C([O-])[*:1] Cc1n[nH]c(=O)c(C(=O)N[C@H]([C@H](C)O)[*:1])c1C
O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](C(=O)N1CCOCC1)[*:1])Nc1ccccc1
O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)N[*:1]
O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)Nc1ccccc1 O=C(N1CCOCC1)[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])Nc1ccccc1
O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 c1cc2OCCOc2cc1[*:1] O=C(N[*:1])c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1
O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)c1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
COC[C@@H](C)[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 COC[C@@H](C)[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCC[C@@H]1[NH2+][*:1]
COC[C@@H](C)[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 COC[*:1] C[C@@H]([NH2+][C@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[*:1]
CSc1ccc(OC(=O)CCNC(=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] CSc1ccc(cc1)OC(=O)CCNC(=O)[*:1]
O=C(CSc1n[nH]c(N/N=C/c2ccco2)n1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1ccco1)N[*:1]
O=C(CSc1n[nH]c(N/N=C/c2ccco2)n1)Nc1ccc(F)cc1 c1coc(c1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])Nc1ccc(F)cc1
O=C(CSc1n[nH]c(N/N=C/c2ccco2)n1)Nc1ccc(F)cc1 C(=N/N[*:1])\c1ccco1 O=C(CSc1n[nH]c(n1)[*:1])Nc1ccc(F)cc1
CN(C(=O)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1)C1CCCCC1 CN(C(=O)[*:1])C1CCCCC1 O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)N1CCCC1=O
CN(C(=O)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1)C1CCCCC1 O=C1CCCN1[*:1] CN(C(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1])C1CCCCC1
CN(C(=O)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
C[C@@H]1CCCCN1c1nc[nH+]c(Nc2cccnc2)c1N c1cncc(c1)N[*:1] C[C@@H]1CCCCN1c1nc[nH+]c(c1N)[*:1]
C[C@@H]1CCCCN1c1nc[nH+]c(Nc2cccnc2)c1N c1cncc(c1)[*:1] C[C@@H]1CCCCN1c1nc[nH+]c(N[*:1])c1N
C[C@@H]1CCCCN1c1nc[nH+]c(Nc2cccnc2)c1N C[C@@H]1CCCCN1[*:1] Nc1c(nc[nH+]c1Nc1cccnc1)[*:1]
C=CCO[C@H](C)C(=O)Oc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C=CCO[C@H](C)C(=O)Oc1cccc(c1)[*:1]
C=CCO[C@H](C)C(=O)Oc1cccc(-n2cccn2)c1 C=CCO[*:1] C[C@H](C(=O)Oc1cccc(c1)-n1cccn1)[*:1]
C=CCO[C@H](C)C(=O)Oc1cccc(-n2cccn2)c1 C=CC[*:1] C[C@@H](O[*:1])C(=O)Oc1cccc(c1)-n1cccn1
Cc1[nH]ncc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Cc1[nH]ncc1[*:1] O=C(N1CCC(CC1)Cc1ccc(F)cc1)[*:1]
Cc1[nH]ncc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1[nH]ncc1C(=O)N1CCC(CC1)C[*:1]
Cc1ccc2ncc(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)n2c1 O=C(NC1CCCC1)[*:1] Cc1ccc2ncc(C(=O)Nc3cnn(c3)C[*:1])n2c1
Cc1ccc2ncc(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)n2c1 O=C(C[*:1])NC1CCCC1 Cc1ccc2ncc(C(=O)Nc3cnn(c3)[*:1])n2c1
Cc1ccc2ncc(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)n2c1 C1CCC(C1)[*:1] Cc1ccc2ncc(C(=O)Nc3cnn(c3)CC(=O)N[*:1])n2c1
Cc1cc2oc(=O)cc(COC(=O)CSCc3c(C)noc3C)c2cc1C Cc1noc(C)c1[*:1] Cc1cc2oc(=O)cc(COC(=O)CSC[*:1])c2cc1C
Cc1cc2oc(=O)cc(COC(=O)CSCc3c(C)noc3C)c2cc1C Cc1noc(C)c1CS[*:1] Cc1cc2oc(=O)cc(COC(=O)C[*:1])c2cc1C
Cc1cc2oc(=O)cc(COC(=O)CSCc3c(C)noc3C)c2cc1C Cc1noc(C)c1C[*:1] Cc1cc2oc(=O)cc(COC(=O)CS[*:1])c2cc1C
COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)cc3)n2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1noc(n1)-c1cccn1CC(=O)N[*:1]
COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)cc3)n2)cc1OC Cc1ccc(cc1)NC(=O)[*:1] COc1ccc(cc1OC)-c1noc(n1)-c1cccn1C[*:1]
COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)cc3)n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)NC(=O)Cn1cccc1-c1nc(no1)[*:1]
O=S(=O)(NC[C@@](O)(Cc1ccccc1)c1cccs1)c1cccc2ccccc12 c1csc(c1)[*:1] O=S(=O)(NC[C@@](O)(Cc1ccccc1)[*:1])c1cccc2ccccc12
O=S(=O)(NC[C@@](O)(Cc1ccccc1)c1cccs1)c1cccc2ccccc12 c1ccc(cc1)C[*:1] O=S(=O)(NC[C@@](O)(c1cccs1)[*:1])c1cccc2ccccc12
O=S(=O)(NC[C@@](O)(Cc1ccccc1)c1cccs1)c1cccc2ccccc12 c1ccc(cc1)[*:1] O=S(=O)(NC[C@@](O)(C[*:1])c1cccs1)c1cccc2ccccc12
C[C@@H](C(=O)NC(=O)NCCc1cccs1)N1CCSC(C)(C)C1 c1csc(c1)CC[*:1] C[C@@H](C(=O)NC(=O)N[*:1])N1CCSC(C)(C)C1
C[C@@H](C(=O)NC(=O)NCCc1cccs1)N1CCSC(C)(C)C1 c1csc(c1)[*:1] C[C@@H](C(=O)NC(=O)NCC[*:1])N1CCSC(C)(C)C1
C[C@@H](C(=O)NC(=O)NCCc1cccs1)N1CCSC(C)(C)C1 c1csc(c1)C[*:1] C[C@@H](C(=O)NC(=O)NC[*:1])N1CCSC(C)(C)C1
Cn1ccnc1[C@](O)(CCNC(=O)N1CCCC1(C)C)C(F)(F)F FC(F)(F)[*:1] Cn1ccnc1[C@](O)(CCNC(=O)N1CCCC1(C)C)[*:1]
Cn1ccnc1[C@](O)(CCNC(=O)N1CCCC1(C)C)C(F)(F)F Cn1ccnc1[*:1] CC1(C)CCCN1C(=O)NCC[C@@](O)(C(F)(F)F)[*:1]
Cc1ccc(Cn2c(=O)c3ccc(C(=O)NC4CCCCC4)cc3n3c(=O)[nH]nc23)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCCCC1)c1ccc2c(=O)n(C[*:1])c3n[nH]c(=O)n3c2c1
Cc1ccc(Cn2c(=O)c3ccc(C(=O)NC4CCCCC4)cc3n3c(=O)[nH]nc23)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)Cn1c(=O)c2ccc(cc2n2c(=O)[nH]nc12)C(=O)N[*:1]
Cc1ccc(Cn2c(=O)c3ccc(C(=O)NC4CCCCC4)cc3n3c(=O)[nH]nc23)cc1 Cc1ccc(cc1)C[*:1] O=C(NC1CCCCC1)c1ccc2c(=O)n(c3n[nH]c(=O)n3c2c1)[*:1]
Cc1ccc(Cn2c(=O)c3ccc(C(=O)NC4CCCCC4)cc3n3c(=O)[nH]nc23)cc1 O=C(NC1CCCCC1)[*:1] Cc1ccc(cc1)Cn1c(=O)c2ccc(cc2n2c(=O)[nH]nc12)[*:1]
O=C(NCc1cccnc1-n1cncn1)C1=Cc2cc(Cl)ccc2OC1 c1ncn(n1)[*:1] O=C(NCc1cccnc1[*:1])C1=Cc2cc(Cl)ccc2OC1
NC(=O)COc1ccc(-c2ccccc2)cc1Br NC(=O)[*:1] Brc1cc(ccc1OC[*:1])-c1ccccc1
NC(=O)COc1ccc(-c2ccccc2)cc1Br NC(=O)CO[*:1] Brc1cc(ccc1[*:1])-c1ccccc1
NC(=O)COc1ccc(-c2ccccc2)cc1Br c1ccc(cc1)[*:1] NC(=O)COc1ccc(cc1Br)[*:1]
NC(=O)COc1ccc(-c2ccccc2)cc1Br NC(=O)C[*:1] Brc1cc(ccc1O[*:1])-c1ccccc1
Cc1nc(C)c(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)s1 Cc1nc(C)c(s1)[*:1] O=S(=O)(NCC[*:1])c1ccc2OCCOc2c1
O=C1c2cccnc2[C@H](Nc2ccc(F)c([N+](=O)[O-])c2)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1c2cccnc2[C@H](Nc2ccc(F)c(c2)[N+](=O)[O-])N1C[*:1]
O=C1c2cccnc2[C@H](Nc2ccc(F)c([N+](=O)[O-])c2)N1Cc1ccccc1 O=[N+]([O-])[*:1] O=C1c2cccnc2[C@H](Nc2ccc(F)c(c2)[*:1])N1Cc1ccccc1
O=C1c2cccnc2[C@H](Nc2ccc(F)c([N+](=O)[O-])c2)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1c2cccnc2[C@H](Nc2ccc(F)c(c2)[N+](=O)[O-])N1[*:1]
Cc1ccc(C)c(C(=O)CCC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CCC(=O)[*:1])NC1CCC(CC1)[NH+]1CCCCC1
CN(CC1CCCC1)C(=O)Nc1ccc(F)c(C(N)=O)c1 C1CCC(C1)C[*:1] CN(C(=O)Nc1ccc(F)c(c1)C(N)=O)[*:1]
CN(CC1CCCC1)C(=O)Nc1ccc(F)c(C(N)=O)c1 NC(=O)[*:1] CN(CC1CCCC1)C(=O)Nc1ccc(F)c(c1)[*:1]
CN(CC1CCCC1)C(=O)Nc1ccc(F)c(C(N)=O)c1 C1CCC(C1)[*:1] CN(C[*:1])C(=O)Nc1ccc(F)c(c1)C(N)=O
CNC(=O)[C@H]1CN(C(=O)c2ccsc2)c2ccccc2O1 c1cc(cs1)[*:1] CNC(=O)[C@H]1CN(C(=O)[*:1])c2ccccc2O1
CNC(=O)[C@H]1CN(C(=O)c2ccsc2)c2ccccc2O1 CNC(=O)[*:1] O=C(c1ccsc1)N1C[C@@H](Oc2ccccc21)[*:1]
C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 c1ccc2[nH]c(cc2c1)[*:1] C[NH+](C)CCCn1cc[nH+]c1C1CCN(CC1)C(=O)[*:1]
COC[C@@H](C)CN1C[C@H](C)C(=O)NC1=O COC[*:1] C[C@H]1CN(C[C@H](C)[*:1])C(=O)NC1=O
COC[C@@H](C)CN1C[C@H](C)C(=O)NC1=O COC[C@@H](C)[*:1] C[C@H]1CN(C[*:1])C(=O)NC1=O
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H](C)CCc1ccccc1 C1CC1[*:1] Cc1ccc(cc1NC(=O)N[C@H](C)CCc1ccccc1)NC(=O)[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H](C)CCc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N[C@H](C)CC[*:1])NC(=O)C1CC1
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H](C)CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1NC(=O)N[C@H](C)C[*:1])NC(=O)C1CC1
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H](C)CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1NC(=O)N[C@H](C)[*:1])NC(=O)C1CC1
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H](C)CCc1ccccc1 O=C(N[*:1])C1CC1 Cc1ccc(cc1NC(=O)N[C@H](C)CCc1ccccc1)[*:1]
O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)Nc1ccc(cc1)C[*:1]
O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)Nc1ccc(cc1)[*:1]
O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)Cn1cncn1)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1[*:1]
C[C@H]1C[C@@H]1[C@H](NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1[C@H](NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
C[C@H]1C[C@@H]1[C@H](NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)c1ccccc1 C[C@H]1C[C@H]1[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N[C@H](c1ccccc1)[*:1]
O=C(c1ccc2c(c1)OCCO2)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 C1CCN(C1)[*:1] O=C(c1ccc2OCCOc2c1)N1CCc2c(C1)nc([nH]c2=O)[*:1]
COc1cc(CN2CCN(Cc3nc(C)c(C)s3)CC2)cc(OC)c1 Cc1nc(C[*:1])sc1C COc1cc(cc(c1)OC)CN1CCN(CC1)[*:1]
COc1cc(CN2CCN(Cc3nc(C)c(C)s3)CC2)cc(OC)c1 Cc1nc(sc1C)[*:1] COc1cc(cc(c1)OC)CN1CCN(CC1)C[*:1]
CCn1cc(NC(=O)C(=O)NC[C@]2(O)CCCc3ccccc32)ccc1=O CCn1cc(ccc1=O)[*:1] O=C(NC[C@]1(O)CCCc2ccccc21)C(=O)N[*:1]
C[C@@H]1CN(C2CCN(Cc3coc4ccccc34)CC2)CCO1 C[C@@H]1CN(CCO1)[*:1] c1ccc2c(coc2c1)CN1CCC(CC1)[*:1]
CCOc1ccc(CNCCN2CCOCC2)cc1 CCO[*:1] c1cc(ccc1CNCCN1CCOCC1)[*:1]
CCOc1ccc(CNCCN2CCOCC2)cc1 C1CN(CCO1)[*:1] CCOc1ccc(cc1)CNCC[*:1]
CCC[NH2+][C@@H](CSc1ccncc1)c1ccccc1C CCC[*:1] Cc1ccccc1[C@H](CSc1ccncc1)[NH2+][*:1]
CCC[NH2+][C@@H](CSc1ccncc1)c1ccccc1C c1cc(ccn1)[*:1] CCC[NH2+][C@@H](CS[*:1])c1ccccc1C
O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1cncn1-c1ccccc1 Clc1cccc(c1)[*:1] O=C(NNS(=O)(=O)[*:1])c1cncn1-c1ccccc1
O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1cncn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1cncn1[*:1]
CC[C@@H]1CCC[C@@H]([C@](C)(O)C2(C)CC2)C1 CC1(CC1)[*:1] CC[C@@H]1CCC[C@H](C1)[C@](C)(O)[*:1]
Cc1ccc([C@@H](NC(=O)CSc2cc(C#N)ccn2)C2CC2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccnc(c1)SCC(=O)N[C@@H](C1CC1)[*:1]
Cc1ccc([C@@H](NC(=O)CSc2cc(C#N)ccn2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](NC(=O)CSc1cc(C#N)ccn1)[*:1]
Cc1ccc([C@@H](NC(=O)CSc2cc(C#N)ccn2)C2CC2)cc1 N#Cc1ccnc(c1)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)CS[*:1])C1CC1
COc1ccc([C@H](O)CNc2cncc(-n3nc(C)cc3C)n2)cc1OC Cc1cc(C)n(n1)[*:1] COc1ccc(cc1OC)[C@H](O)CNc1cncc(n1)[*:1]
O=C1CCN(c2ccccc2)c2ccc(F)cc2N1 c1ccc(cc1)[*:1] O=C1CCN(c2ccc(F)cc2N1)[*:1]
CN(C(=O)NC[C@@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 C1CO[C@@H](C1)C[*:1] CN(C(=O)N[*:1])[C@@H](c1ccccc1)c1ccc(F)cc1
CN(C(=O)NC[C@@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)NC[C@@H]1CCCO1)[C@@H](c1ccccc1)[*:1]
CN(C(=O)NC[C@@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 C1CO[C@@H](C1)[*:1] CN(C(=O)NC[*:1])[C@@H](c1ccccc1)c1ccc(F)cc1
CN(C(=O)NC[C@@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CN(C(=O)NC[C@@H]1CCCO1)[C@@H](c1ccc(F)cc1)[*:1]
COC(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)cc1 COC(=O)[*:1] Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccc(cc4)[*:1])n3c2c1C
COC(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1ccc2cc(C)c3nnc(SCC(=O)N[*:1])n3c2c1C
COc1ccc([C@@H]2Nc3cc(F)ccc3N2C2CCN(C(=O)[C@H]3N=NC4=C3CCC4)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C([C@H]1N=NC2CCCC=21)N1CCC(CC1)N1c2ccc(F)cc2N[C@H]1[*:1]
CC(C)c1cc(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)nc(C(C)C)[nH+]1 C1CC1[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N1CC[C@H]2[C@H](CCC(=O)N2[*:1])C1
CC(C)c1cc(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1cc(nc([nH+]1)[*:1])N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1
CC(C)c1cc(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1nc(cc([nH+]1)[*:1])N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1
Cc1ccc2ncnc(Sc3nnc(-c4ccncc4)n3C)c2c1 c1cc(ccn1)[*:1] Cc1ccc2ncnc(Sc3nnc(n3C)[*:1])c2c1
C[C@@H]1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)CC1 OCC[*:1] C[C@@H]1CCCN(CC1)C(=O)N[C@@H](C[*:1])c1ccccc1
C[C@@H]1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)CC1 OCCC[*:1] C[C@@H]1CCCN(CC1)C(=O)N[C@@H](c1ccccc1)[*:1]
C[C@@H]1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(CC1)C(=O)N[C@@H](CCCO)[*:1]
CC[C@@H](NC(=O)Cn1nnnc1C[NH+]1CCCCCC1)c1ccnn1C Cn1nccc1[*:1] CC[C@@H](NC(=O)Cn1nnnc1C[NH+]1CCCCCC1)[*:1]
C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1ccc(Cl)cc1 O=C([O-])[*:1] C[C@H](NC(=O)N1CC[C@@H]([C@H]1C)[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)[*:1]
Cc1cnc(N[C@H]2CCN(CC(F)(F)F)C2=O)c([N+](=O)[O-])c1 FC(F)(F)C[*:1] Cc1cnc(N[C@H]2CCN(C2=O)[*:1])c(c1)[N+](=O)[O-]
Cc1cnc(N[C@H]2CCN(CC(F)(F)F)C2=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(N[C@H]2CCN(CC(F)(F)F)C2=O)c(c1)[*:1]
Cc1cnc(N[C@H]2CCN(CC(F)(F)F)C2=O)c([N+](=O)[O-])c1 FC(F)(F)[*:1] Cc1cnc(N[C@H]2CCN(C[*:1])C2=O)c(c1)[N+](=O)[O-]
O=[N+]([O-])c1ccc(-c2cnc(/N=C/c3ccccc3O)s2)cc1 Oc1ccccc1[*:1] O=[N+]([O-])c1ccc(cc1)-c1cnc(N=C[*:1])s1
O=[N+]([O-])c1ccc(-c2cnc(/N=C/c3ccccc3O)s2)cc1 O=[N+]([O-])[*:1] Oc1ccccc1/C=N/c1ncc(s1)-c1ccc(cc1)[*:1]
CCc1ncc(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)s1 CCc1ncc(s1)[*:1] O=C(CN1C(=O)CCC1=O)N1CCN(CC1)C[*:1]
CCc1ncc(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)s1 CCc1ncc(C[*:1])s1 O=C(CN1C(=O)CCC1=O)N1CCN(CC1)[*:1]
CCc1ncc(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)s1 O=C1CCC(=O)N1[*:1] CCc1ncc(CN2CCN(CC2)C(=O)C[*:1])s1
CCc1ncc(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)s1 O=C1CCC(=O)N1C[*:1] CCc1ncc(CN2CCN(CC2)C(=O)[*:1])s1
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)Cc1c(C)noc1C Cc1noc(C)c1[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)C[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)Cc1c(C)noc1C CC[S@](=O)[*:1] Cc1noc(C)c1CC(=O)N[C@H]1CCCC[C@@H]1[*:1]
Cc1ccc(-c2cc(C(=O)NC3CC3)nn2C)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)-c1cc(nn1C)[*:1]
Cc1ccc(-c2cc(C(=O)NC3CC3)nn2C)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1cc(nn1C)C(=O)N[*:1]
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc3cccnc23)c1 CC(C)[*:1] Cc1ccc(c(c1)O[C@@H](C)C(=O)Nc1cccc2cccnc12)[*:1]
CNC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2CC(C)C)cc1Cl CNC(=O)[*:1] CC(C)C[C@@H]1CCCCCN1C(=O)Nc1ccc(c(Cl)c1)[*:1]
CNC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2CC(C)C)cc1Cl CC(C)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)N1CCCCC[C@H]1C[*:1]
CNC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2CC(C)C)cc1Cl CC(C)C[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)N1CCCCC[C@@H]1[*:1]
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(C)c1OC(F)F C1CO[C@@H](C1)[*:1] Cc1cc(/C=C(\C#N)C(=O)NC[*:1])cc(C)c1OC(F)F
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(C)c1OC(F)F FC(F)O[*:1] Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(C)c1[*:1]
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(C)c1OC(F)F FC(F)[*:1] Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(C)c1O[*:1]
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(C)c1OC(F)F C1CO[C@@H](C1)C[*:1] Cc1cc(/C=C(\C#N)C(=O)N[*:1])cc(C)c1OC(F)F
CSc1ccc(CN(C)C(=O)C[NH+]2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 CSc1ccc(cc1)[*:1] Cc1cc(nc(n1)C(C)C)N1CC[NH+](CC1)CC(=O)N(C)C[*:1]
CSc1ccc(CN(C)C(=O)C[NH+]2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 Cc1cc(nc(n1)C(C)C)[*:1] CSc1ccc(cc1)CN(C)C(=O)C[NH+]1CCN(CC1)[*:1]
CSc1ccc(CN(C)C(=O)C[NH+]2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 CC(C)[*:1] CSc1ccc(cc1)CN(C)C(=O)C[NH+]1CCN(CC1)c1cc(C)nc(n1)[*:1]
CSc1ccc(CN(C)C(=O)C[NH+]2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 CSc1ccc(cc1)C[*:1] Cc1cc(nc(n1)C(C)C)N1CC[NH+](CC1)CC(=O)N(C)[*:1]
c1ccc(-n2ncc3c2ncn2c(Cc4cccc5ccccc45)nnc32)cc1 c1ccc(cc1)[*:1] c1ccc2c(cccc2c1)Cc1nnc2c3cnn(c3ncn12)[*:1]
Cc1cc(N2CC[NH+](C)CC2)[nH+]c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc12 Clc1ccc(cc1)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)C[*:1])N1CC[NH+](C)CC1
Cc1cc(N2CC[NH+](C)CC2)[nH+]c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc12 Clc1ccc(cc1)C[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)[*:1])N1CC[NH+](C)CC1
CC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2ccccc2F)s1)C1CC1 Fc1ccccc1[*:1] CC(=O)N(c1nnc(S[C@H](C)C(=O)N[*:1])s1)C1CC1
CC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2ccccc2F)s1)C1CC1 C1CC1[*:1] CC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2ccccc2F)s1)[*:1]
CC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2ccccc2F)s1)C1CC1 CC(=O)N(C1CC1)[*:1] C[C@@H](Sc1nnc(s1)[*:1])C(=O)Nc1ccccc1F
Cc1cc(C)n(-c2ccc(N3CCN(c4ccc(F)cn4)CC3)nn2)n1 Cc1cc(C)n(n1)[*:1] Fc1ccc(nc1)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1cc(C)n(-c2ccc(N3CCN(c4ccc(F)cn4)CC3)nn2)n1 Fc1ccc(nc1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCN(CC1)[*:1]
O=C(CCc1ccccc1)N1CCCN(C(=O)c2csnn2)CC1 c1ccc(cc1)C[*:1] O=C(C[*:1])N1CCCN(CC1)C(=O)c1csnn1
O=C(CCc1ccccc1)N1CCCN(C(=O)c2csnn2)CC1 c1ccc(cc1)CC[*:1] O=C(c1csnn1)N1CCCN(CC1)C(=O)[*:1]
O=C(CCc1ccccc1)N1CCCN(C(=O)c2csnn2)CC1 c1snnc1[*:1] O=C(CCc1ccccc1)N1CCCN(CC1)C(=O)[*:1]
O=C(CCc1ccccc1)N1CCCN(C(=O)c2csnn2)CC1 c1ccc(cc1)[*:1] O=C(CC[*:1])N1CCCN(CC1)C(=O)c1csnn1
CCN(C[C@H](C)C(=O)[O-])c1ccc(C(=O)NC)n[nH+]1 C[C@@H](C[*:1])C(=O)[O-] CCN(c1ccc(n[nH+]1)C(=O)NC)[*:1]
CCN(C[C@H](C)C(=O)[O-])c1ccc(C(=O)NC)n[nH+]1 O=C([O-])[*:1] CCN(C[C@H](C)[*:1])c1ccc(n[nH+]1)C(=O)NC
CCN(C[C@H](C)C(=O)[O-])c1ccc(C(=O)NC)n[nH+]1 CNC(=O)[*:1] CCN(C[C@H](C)C(=O)[O-])c1ccc(n[nH+]1)[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)c3cc(C)no3)CC2)c1 Cc1cc(on1)[*:1] COc1ccc(OC)c(c1)CN1CCN(CC1)C(=O)[*:1]
C[C@]1(c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4[NH2+]3)n2)CCCO1 C[C@@]1(CCCO1)[*:1] C1CC[C@@H]2[NH2+][C@@H](CC[C@@H]2C1)c1nc(no1)[*:1]
CCOC(=O)[C@@](NC(=O)Nc1cc(C)on1)(c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] CCOC(=O)[C@@](NC(=O)Nc1cc(C)on1)(C(F)(F)F)[*:1]
CCOC(=O)[C@@](NC(=O)Nc1cc(C)on1)(c1ccccc1)C(F)(F)F Cc1cc(no1)[*:1] CCOC(=O)[C@@](NC(=O)N[*:1])(c1ccccc1)C(F)(F)F
CCOC(=O)[C@@](NC(=O)Nc1cc(C)on1)(c1ccccc1)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@@](NC(=O)Nc1cc(C)on1)(c1ccccc1)[*:1]
CCOC(=O)[C@@](NC(=O)Nc1cc(C)on1)(c1ccccc1)C(F)(F)F CCOC(=O)[*:1] Cc1cc(no1)NC(=O)N[C@@](c1ccccc1)(C(F)(F)F)[*:1]
O=C(c1cc2ccccn2n1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cc2ccccn2n1)N1CCN(CC1)[*:1]
COc1ccc(C)cc1-n1nnc(-c2nc(-c3ccccc3F)no2)c1C Fc1ccccc1[*:1] COc1ccc(C)cc1-n1nnc(-c2nc(no2)[*:1])c1C
COc1ccc(C)cc1-n1nnc(-c2nc(-c3ccccc3F)no2)c1C COc1ccc(C)cc1[*:1] Cc1c(nnn1[*:1])-c1nc(no1)-c1ccccc1F
COc1ccc(Cc2nnc(C(=O)N3CCOCC3)o2)cc1OC O=C(N1CCOCC1)[*:1] COc1ccc(cc1OC)Cc1nnc(o1)[*:1]
Cc1nc(-c2ccco2)ccc1C(=O)N1CC[C@H](C)C[C@H]1C c1coc(c1)[*:1] Cc1nc(ccc1C(=O)N1CC[C@H](C)C[C@H]1C)[*:1]
Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(Cc2cccnc2)C1 c1cncc(c1)[*:1] Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(C1)C[*:1]
Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(Cc2cccnc2)C1 c1cncc(c1)C[*:1] Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(C1)[*:1]
Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(Cc2cccnc2)C1 c1cnn(c1)[*:1] Cn1c(C[*:1])nnc1[C@@H]1CCCN(Cc2cccnc2)C1
Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(Cc2cccnc2)C1 c1cnn(c1)C[*:1] Cn1c(nnc1[*:1])[C@@H]1CCCN(Cc2cccnc2)C1
COc1ccc(CCCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1F NC(=O)[*:1] COc1ccc(cc1F)CCCC(=O)N1C[C@@H](CC[C@H]1C)[*:1]
CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(CC1)C(=O)[*:1]
CCOC(=O)c1sc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(C#N)c1C Clc1cccc(c1)[*:1] CCOC(=O)c1sc(NC(=O)c2ccc(o2)[*:1])c(C#N)c1C
CCOC(=O)c1sc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(C#N)c1C CCOC(=O)[*:1] Cc1c(sc(NC(=O)c2ccc(o2)-c2cccc(Cl)c2)c1C#N)[*:1]
COC(=O)c1ccccc1NC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)C[*:1] COC(=O)c1ccccc1NC(=O)c1cc(Cl)cn(c1=O)[*:1]
COC(=O)c1ccccc1NC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O COC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O
COC(=O)c1ccccc1NC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)c1cc(Cl)cn(C[*:1])c1=O
CNc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1[*:1]
CNc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] C[C@H](c1ccccc1)[*:1] CNc1ccc(/C=C(\C#N)C(=O)N[*:1])cc1[N+](=O)[O-]
CNc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] CNc1ccc(/C=C(\C#N)C(=O)N[C@H](C)[*:1])cc1[N+](=O)[O-]
Cn1c(=O)cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc21 c1ccc(cc1)[*:1] Cn1c(=O)cc(C(=O)N2CCO[C@H](C2)[*:1])c2ccccc21
CN(Cc1ccc(C(=O)NC2CC2)cc1)c1cccc(F)c1C#N C1CC1[*:1] CN(Cc1ccc(cc1)C(=O)N[*:1])c1cccc(F)c1C#N
CN(Cc1ccc(C(=O)NC2CC2)cc1)c1cccc(F)c1C#N O=C(NC1CC1)[*:1] CN(Cc1ccc(cc1)[*:1])c1cccc(F)c1C#N
CCCc1nc(C(=O)N[C@@]2(CO)CCC[C@@H](C)C2)n[nH]1 CCC[*:1] C[C@@H]1CCC[C@@](CO)(C1)NC(=O)c1n[nH]c(n1)[*:1]
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(-n2cnnc2)c1 CC[C@H](C)[*:1] Cc1ccc(cc1C)NC(=O)COc1ccc(cc1-n1cnnc1)[*:1]
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(-n2cnnc2)c1 c1nncn1[*:1] CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(c1)[*:1]
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(-n2cnnc2)c1 Cc1ccc(cc1C)[*:1] CC[C@H](C)c1ccc(OCC(=O)N[*:1])c(c1)-n1cnnc1
CN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12
CN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 Clc1cccc(c1)C[*:1] CN(C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)[*:1]
CN(CCCC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CS2 O=C([O-])CC[*:1] CN(C[*:1])C(=O)c1ccc2SCC(=O)Nc2c1
CN(CCCC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CS2 O=C([O-])C[*:1] CN(CC[*:1])C(=O)c1ccc2SCC(=O)Nc2c1
CN(CCCC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CS2 O=C([O-])CCC[*:1] CN(C(=O)c1ccc2SCC(=O)Nc2c1)[*:1]
CN(CCCC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CS2 O=C([O-])[*:1] CN(CCC[*:1])C(=O)c1ccc2SCC(=O)Nc2c1
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)NS(=O)(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)NC(=O)[*:1]
O=C(CCc1cccc(F)c1)Nc1ccc2c(c1)CC(=O)N2 Fc1cccc(c1)[*:1] O=C(CC[*:1])Nc1ccc2NC(=O)Cc2c1
Cc1cc(C)cc(C2(C(=O)[O-])CCOCC2)c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)C1(CCOCC1)[*:1]
CSCC(=O)NNC(=O)c1ccc(-n2cccc2)nc1 CSC[*:1] O=C(NNC(=O)[*:1])c1ccc(nc1)-n1cccc1
CSCC(=O)NNC(=O)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] CSCC(=O)NNC(=O)c1ccc(nc1)[*:1]
CC(C)(C)SCCCBr BrCC[*:1] CC(C)(C)SC[*:1]
CC(C)(C)OC(=O)NNC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)NNC1CC[NH+](CC1)[*:1]
CC(C)(C)OC(=O)NNC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)NNC1CC[NH+](CC1)C[*:1]
CC(C)(C)OC(=O)NNC1CC[NH+](Cc2ccccc2)CC1 CC(C)(C)[*:1] O=C(NNC1CC[NH+](CC1)Cc1ccccc1)O[*:1]
CC(C)(C)NC(=O)NC(=O)C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1 CC(C)(C)[*:1] O=C(C[n+]1ccc(cc1)Cc1ccc(cc1)[N+](=O)[O-])NC(=O)N[*:1]
CC(C)(C)NC(=O)NC(=O)C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)(C)NC(=O)NC(=O)C[n+]1ccc(cc1)C[*:1]
CC(C)(C)NC(=O)NC(=O)C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CC(C)(C)NC(=O)NC(=O)C[n+]1ccc(cc1)Cc1ccc(cc1)[*:1]
O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1nc(Cl)ccc1Cl Fc1cccc(Cl)c1[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1nc(Cl)ccc1Cl
O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1nc(Cl)ccc1Cl Clc1ccc(Cl)c(n1)[*:1] O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[*:1]
OCCC[NH+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 OCC[*:1] c1ccc(cc1)C(c1ccccc1)c1[nH]nc2CC[NH+](Cc21)C[*:1]
OCCC[NH+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 c1ccc(cc1)[*:1] OCCC[NH+]1CCc2n[nH]c(c2C1)C(c1ccccc1)[*:1]
CC[C@@H](NC(=O)NCCn1cccc1)c1cccc(Cl)c1 c1ccn(c1)C[*:1] CC[C@@H](NC(=O)NC[*:1])c1cccc(Cl)c1
CC[C@@H](NC(=O)NCCn1cccc1)c1cccc(Cl)c1 c1ccn(c1)[*:1] CC[C@@H](NC(=O)NCC[*:1])c1cccc(Cl)c1
CC[C@@H](NC(=O)NCCn1cccc1)c1cccc(Cl)c1 c1ccn(c1)CC[*:1] CC[C@@H](NC(=O)N[*:1])c1cccc(Cl)c1
CC[C@@H](NC(=O)NCCn1cccc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)NCCn1cccc1)[*:1]
CCOC(=O)C1=C(C)[C@H](S(=O)(=O)N2CCC(C)CC2)C(C)=N1 CCOC(=O)[*:1] CC1=NC(=C(C)[C@@H]1S(=O)(=O)N1CCC(C)CC1)[*:1]
CC(C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)N(Cc1c(noc1N1CCOCC1)-c1ccccc1)C(=O)N[*:1]
CC(C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)Nc1cccc(Cl)c1 C1CN(CCO1)[*:1] CC(C)N(Cc1c(noc1[*:1])-c1ccccc1)C(=O)Nc1cccc(Cl)c1
CC(C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)Nc1cccc(Cl)c1 CC(C)[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1c(noc1N1CCOCC1)-c1ccccc1)[*:1]
CC(C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] CC(C)N(Cc1c(noc1N1CCOCC1)[*:1])C(=O)Nc1cccc(Cl)c1
CCC[NH2+][C@@H](c1cc(C)ccc1F)[C@H](C)c1ccncc1 CCC[*:1] Cc1ccc(F)c(c1)[C@H]([NH2+][*:1])[C@H](C)c1ccncc1
CCC[NH2+][C@@H](c1cc(C)ccc1F)[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] CCC[NH2+][C@@H](c1cc(C)ccc1F)[C@H](C)[*:1]
CCCS(=O)(=O)NC1CC[NH+](Cc2cscn2)CC1 CCC[*:1] O=S(=O)(NC1CC[NH+](CC1)Cc1cscn1)[*:1]
CCCS(=O)(=O)NC1CC[NH+](Cc2cscn2)CC1 c1nc(cs1)[*:1] CCCS(=O)(=O)NC1CC[NH+](CC1)C[*:1]
CCCS(=O)(=O)NC1CC[NH+](Cc2cscn2)CC1 c1nc(cs1)C[*:1] CCCS(=O)(=O)NC1CC[NH+](CC1)[*:1]
COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 O=[N+]([O-])[*:1] COCc1cc(ccc1[N-]S(=O)(=O)c1cc(C)cc(F)c1)[*:1]
COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 COC[*:1] Cc1cc(F)cc(c1)S(=O)(=O)[N-]c1ccc(cc1[*:1])[N+](=O)[O-]
COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 Cc1cc(F)cc(c1)[*:1] COCc1cc(ccc1[N-]S(=O)(=O)[*:1])[N+](=O)[O-]
O=C(CN1C(=O)C(=O)N(c2ccccc2)C1=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(CN1C(=O)C(=O)N(C1=O)c1ccccc1)Nc1ccc(cc1)[*:1]
O=C(CN1C(=O)C(=O)N(c2ccccc2)C1=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CN1C(=O)C(=O)N(C1=O)c1ccccc1)Nc1ccc(cc1)O[*:1]
O=C(CN1C(=O)C(=O)N(c2ccccc2)C1=O)Nc1ccc(OC(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)C(=O)N(C1=O)[*:1])Nc1ccc(cc1)OC(F)(F)F
Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(C)Cc2cccc(C#N)c2)c(C)c1 N#Cc1cccc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCCC(=O)N(C)C[*:1]
Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(C)Cc2cccc(C#N)c2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(Cc1cccc(C#N)c1)C(=O)CCNS(=O)(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(C)Cc2cccc(C#N)c2)c(C)c1 N#Cc1cccc(c1)C[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCCC(=O)N(C)[*:1]
COc1cc(CNC(=O)C=C(C)C)ccc1OCC(F)(F)F CC(C)=CC(=O)N[*:1] COc1cc(ccc1OCC(F)(F)F)C[*:1]
COc1cc(CNC(=O)C=C(C)C)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1cc(ccc1[*:1])CNC(=O)C=C(C)C
COc1cc(CNC(=O)C=C(C)C)ccc1OCC(F)(F)F FC(F)(F)[*:1] COc1cc(ccc1OC[*:1])CNC(=O)C=C(C)C
COc1cc(CNC(=O)C=C(C)C)ccc1OCC(F)(F)F FC(F)(F)C[*:1] COc1cc(ccc1O[*:1])CNC(=O)C=C(C)C
COc1cc(CNC(=O)C=C(C)C)ccc1OCC(F)(F)F CC(C)=C[*:1] COc1cc(ccc1OCC(F)(F)F)CNC(=O)[*:1]
Cc1ccccc1-c1noc(-c2cc(=O)n(C)c(=O)n2C)n1 Cc1ccccc1[*:1] Cn1c(cc(=O)n(C)c1=O)-c1nc(no1)[*:1]
N#Cc1ccc(OCC(=O)NC(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] N#Cc1ccc(cc1)OCC(=O)NC(=O)N[*:1]
COC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1 COC(=O)[*:1] Cn1cc(cc1C(=O)Nc1ccc(cc1)[*:1])S(=O)(=O)N1CCCC1
COC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1 O=S(=O)(N1CCCC1)[*:1] COC(=O)c1ccc(cc1)NC(=O)c1cc(cn1C)[*:1]
CC[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 CC[C@@H](C)[*:1] Cc1cc(ccc1N1CCCC1=O)NC(=O)[*:1]
CC[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 O=C1CCCN1[*:1] CC[C@@H](C)C(=O)Nc1ccc(c(C)c1)[*:1]
Cc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)CC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)NC(=O)c1ccco1
Cc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CC(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccco1
COc1ccccc1CC(C)(C)C(=O)NC[C@@H](C)c1cccs1 c1csc(c1)[*:1] COc1ccccc1CC(C)(C)C(=O)NC[C@@H](C)[*:1]
Cc1cc(NC(=O)CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)ccc1Br Cc1cc(ccc1Br)[*:1] C[C@H](c1nnc(SCC(=O)N[*:1])n1-c1ccc(F)cc1)[NH+](C)C
Cc1cc(NC(=O)CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)ccc1Br Fc1ccc(cc1)[*:1] Cc1cc(ccc1Br)NC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1[*:1]
CCOc1ccc(N2C(=O)C(c3c([O-])[nH]c4ccc(Br)cc34)=NC2=S)cc1 CCO[*:1] O=C1C(=NC(=S)N1c1ccc(cc1)[*:1])c1c([O-])[nH]c2ccc(Br)cc12
CCOc1ccc(N2C(=O)C(c3c([O-])[nH]c4ccc(Br)cc34)=NC2=S)cc1 CCOc1ccc(cc1)[*:1] O=C1C(=NC(=S)N1[*:1])c1c([O-])[nH]c2ccc(Br)cc12
CO[C@H]1CC[C@H]2OCCN(CC(=O)Nc3ccc(F)cc3F)[C@@H]2C1 Fc1ccc(c(F)c1)[*:1] CO[C@H]1CC[C@H]2OCCN(CC(=O)N[*:1])[C@@H]2C1
COC[C@H](C)N1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 COC[C@H](C)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])N1CCc2sccc2C1
COC[C@H](C)N1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 COC[*:1] C[C@H](N1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1)[*:1]
Cc1ccc(C(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 Cc1ccc(cc1)[*:1] O=C(C(=O)[*:1])N1CC[C@](O)(C1)C(F)(F)F
Cc1ccc(C(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(=O)C(=O)N1CC[C@@](O)(C1)[*:1]
COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC#N)cc(OC)c1OC N#CC[*:1] COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2CCCC[C@]2(O)CCN1[*:1]
COc1ccc(OCCN(C)C(=O)c2cncc(Br)c2)cc1 Brc1cncc(c1)[*:1] COc1ccc(cc1)OCCN(C)C(=O)[*:1]
CC(C)Oc1ccc2ccccc2c1Cn1ccnc1 CC(C)O[*:1] c1ccc2c(Cn3ccnc3)c(ccc2c1)[*:1]
CC(C)Oc1ccc2ccccc2c1Cn1ccnc1 c1cn(cn1)C[*:1] CC(C)Oc1ccc2ccccc2c1[*:1]
CC(C)Oc1ccc2ccccc2c1Cn1ccnc1 CC(C)[*:1] c1ccc2c(Cn3ccnc3)c(ccc2c1)O[*:1]
CC(C)Oc1ccc2ccccc2c1Cn1ccnc1 c1cn(cn1)[*:1] CC(C)Oc1ccc2ccccc2c1C[*:1]
COc1ccccc1[C@H]1C[C@@H]1C(=O)N1C[C@@H](C)NC(=O)c2ccc(F)cc21 COc1ccccc1[*:1] C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2[*:1])c2cc(F)ccc2C(=O)N1
Cc1cc(CN(C)C(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)no1 Cc1cc(no1)[*:1] C[C@H](Oc1cccc(c1)C(C)(C)C)C(=O)N(C)C[*:1]
Cc1cc(CN(C)C(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)no1 Cc1cc(C[*:1])no1 C[C@H](Oc1cccc(c1)C(C)(C)C)C(=O)N(C)[*:1]
Cc1cc(CN(C)C(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)no1 CC(C)(C)[*:1] Cc1cc(CN(C)C(=O)[C@H](C)Oc2cccc(c2)[*:1])no1
CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2Cl)cc1 Clc1ccccc1O[*:1] CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(cc1)[*:1]
CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(cc1)O[*:1]
CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2Cl)cc1 CCNC(=O)NC(=O)[*:1] C[C@@H](Nc1ccc(cc1)Oc1ccccc1Cl)[*:1]
CNC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)N1CCN(CC1)[C@@H](C(N)=O)[*:1]
CNC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 NC(=O)[*:1] CNC(=O)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
C[NH+](C)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(COc2ccccc2)n1 c1ccc(cc1)[*:1] C[NH+](C)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(CO[*:1])n1
C[NH+](C)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(COc2ccccc2)n1 c1ccc(cc1)OC[*:1] C[NH+](C)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(n1)[*:1]
C[NH+](C)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(COc2ccccc2)n1 c1ccc(cc1)O[*:1] C[NH+](C)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(C[*:1])n1
C[C@H]1CC(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)C[C@H](C)O1 CN(C)C(=O)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(CC(F)(F)F)C[*:1]
C[C@H]1CC(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)C[C@H](C)O1 FC(F)(F)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(CC(=O)N(C)C)[*:1]
C[C@H]1CC(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)C[C@H](C)O1 CN(C)C(=O)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(CC(F)(F)F)[*:1]
C[C@H]1CC(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)C[C@H](C)O1 FC(F)(F)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N(CC(=O)N(C)C)C[*:1]
CN(C)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 CN(C)c1ccc(cc1)[*:1] O=C1CCc2cc(ccc2N1)-c1csc(n1)NC(=O)[*:1]
CN(C)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 CN(C)[*:1] O=C1CCc2cc(ccc2N1)-c1csc(n1)NC(=O)c1ccc(cc1)[*:1]
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCn2c(C1)nnc2[*:1]
CCc1nc2ccc(C(=O)NNC(=O)c3ccccc3C)cc2nc1CC Cc1ccccc1[*:1] CCc1nc2ccc(cc2nc1CC)C(=O)NNC(=O)[*:1]
CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)o2)cc1 Clc1ccc(Cl)c(c1)[*:1] CCS(=O)(=O)c1ccc(cc1)-c1nnc(NC(=O)[*:1])o1
CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)o2)cc1 CCS(=O)(=O)[*:1] O=C(Nc1nnc(o1)-c1ccc(cc1)[*:1])c1cc(Cl)ccc1Cl
CC[C@@](C)(CNC(=O)Cn1ccccc1=O)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)(CNC(=O)Cn1ccccc1=O)[*:1]
CC[C@@](C)(CNC(=O)Cn1ccccc1=O)N1CCOCC1 O=c1ccccn1[*:1] CC[C@@](C)(CNC(=O)C[*:1])N1CCOCC1
COc1ccccc1OCC(=O)NC(=S)Nc1ccc(Cl)cc1Cl COc1ccccc1[*:1] O=C(CO[*:1])NC(=S)Nc1ccc(Cl)cc1Cl
COc1ccccc1OCC(=O)NC(=S)Nc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COc1ccccc1OCC(=O)NC(=S)N[*:1]
C[C@@H](NCC(=O)NC(=O)NCc1ccco1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NCC(=O)NC(=O)NCc1ccco1)[*:1]
C[C@@H](NCC(=O)NC(=O)NCc1ccco1)c1ccccc1 c1coc(c1)[*:1] C[C@@H](NCC(=O)NC(=O)NC[*:1])c1ccccc1
C[C@@H](NCC(=O)NC(=O)NCc1ccco1)c1ccccc1 c1coc(c1)C[*:1] C[C@@H](NCC(=O)NC(=O)N[*:1])c1ccccc1
COc1ccc(Cc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 COc1ccc(cc1)[*:1] c1ccc2c(c[nH]c2c1)-c1nn2c(C[*:1])nnc2s1
CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NS(=O)(=O)CC)c1 Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)c1cccc(c1)NS(=O)(=O)CC
CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NS(=O)(=O)CC)c1 CCS(=O)(=O)N[*:1] CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(c1)[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NS(=O)(=O)CC)c1 Clc1ccc(C[*:1])s1 CCN(C(=O)c1cccc(c1)NS(=O)(=O)CC)[*:1]
Cc1ccsc1C(=O)NNC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C Cc1ccsc1[*:1] C[C@@H]1[C@H](CCC[C@H]1C)NC(=O)NNC(=O)[*:1]
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)o1 N#CC1(CCCCC1)[*:1] COc1ccccc1-c1nnc(o1)S[C@@H](C)C(=O)N[*:1]
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)o1 COc1ccccc1[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)NC1(C#N)CCCCC1
Nc1ccc(-c2cc(C(=O)[O-])ccc2F)c(C(=O)[O-])[nH+]1 O=C([O-])[*:1] Nc1ccc(-c2cc(ccc2F)C(=O)[O-])c([nH+]1)[*:1]
Nc1ccc(-c2cc(C(=O)[O-])ccc2F)c(C(=O)[O-])[nH+]1 O=C([O-])[*:1] Nc1ccc(-c2cc(ccc2F)[*:1])c([nH+]1)C(=O)[O-]
CN(CC(C)(C)O)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 CC(C)(O)C[*:1] CN(C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)[*:1]
CN(CC(C)(C)O)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] CN(CC(C)(C)O)C(=O)[C@@H]1CC(=O)N(CC[*:1])C1
CN(CC(C)(C)O)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CN(CC(C)(C)O)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CN(CC(C)(C)O)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 CC(C)(O)[*:1] CN(C[*:1])C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1
COCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 COC[*:1] C(CC[*:1])C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2
COCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 COCCC[*:1] C(C[*:1])[NH2+][C@H]1C[C@H]2CC[C@@H]1C2
COCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 COCC[*:1] C(C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2)C[*:1]
C[NH+](CC(=O)N1CCc2ccccc2C1)Cc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[NH+](CC(=O)N1CCc2ccccc2C1)C[*:1]
CSc1nc(=O)[nH]c(C)c1C(=O)Nc1ccc(SC(C)(C)C)cc1 CC(C)(C)S[*:1] CSc1nc(=O)[nH]c(C)c1C(=O)Nc1ccc(cc1)[*:1]
CSc1nc(=O)[nH]c(C)c1C(=O)Nc1ccc(SC(C)(C)C)cc1 CC(C)(C)[*:1] CSc1nc(=O)[nH]c(C)c1C(=O)Nc1ccc(cc1)S[*:1]
COC(=O)C[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 COC(=O)C[*:1] C[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1)[*:1]
COC(=O)C[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 COC(=O)[*:1] C[C@H](C[*:1])C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1
COC(=O)C[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 COC(=O)C[C@@H](C)[*:1] CN1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
CCN(CC)C(=O)C[NH+](C)Cc1nc(C2CC2)no1 C1CC1[*:1] CCN(CC)C(=O)C[NH+](C)Cc1nc(no1)[*:1]
O=C(NCC(=O)N1CCCC1)c1sc2ccccc2c1Cl O=C(N1CCCC1)[*:1] O=C(NC[*:1])c1sc2ccccc2c1Cl
CSc1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 Fc1ccc(cc1)[*:1] CSc1ccc(/C=c2\sc3nc(nn3c2=O)[*:1])cc1
CSc1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 CSc1ccc(cc1)[*:1] O=c1c(=C[*:1])sc2nc(nn12)-c1ccc(F)cc1
C=CCOc1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 C=CC[*:1] c1cc(ccc1CN1CC[NH+](CC1)C[C@@H]1CCOC1)O[*:1]
C=CCOc1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 C=CCO[*:1] c1cc(ccc1CN1CC[NH+](CC1)C[C@@H]1CCOC1)[*:1]
Cc1cccc(CCC(=O)Oc2cccc(C(=O)NC3CC3)c2)c1 C1CC1[*:1] Cc1cccc(c1)CCC(=O)Oc1cccc(c1)C(=O)N[*:1]
Cc1cccc(CCC(=O)Oc2cccc(C(=O)NC3CC3)c2)c1 Cc1cccc(c1)C[*:1] O=C(C[*:1])Oc1cccc(c1)C(=O)NC1CC1
Cc1cccc(CCC(=O)Oc2cccc(C(=O)NC3CC3)c2)c1 O=C(NC1CC1)[*:1] Cc1cccc(c1)CCC(=O)Oc1cccc(c1)[*:1]
Cc1cccc(CCC(=O)Oc2cccc(C(=O)NC3CC3)c2)c1 Cc1cccc(c1)[*:1] O=C(CC[*:1])Oc1cccc(c1)C(=O)NC1CC1
C=C(Cl)CSc1nc2sc3c(c2c(=O)n1C)CCC3 C=C(Cl)C[*:1] Cn1c(nc2sc3CCCc3c2c1=O)S[*:1]
C=C(Cl)CSc1nc2sc3c(c2c(=O)n1C)CCC3 C=C(Cl)CS[*:1] Cn1c(nc2sc3CCCc3c2c1=O)[*:1]
C=C(Cl)CSc1nc2sc3c(c2c(=O)n1C)CCC3 C=C(Cl)[*:1] Cn1c(nc2sc3CCCc3c2c1=O)SC[*:1]
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(F)cc2)[nH]c1=O CCc1c(C)nc([nH]c1=O)[*:1] O=C(Cc1ccc(F)cc1)Nc1cc(nn1[*:1])-c1cccs1
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(F)cc2)[nH]c1=O Fc1ccc(cc1)[*:1] CCc1c(C)nc([nH]c1=O)-n1nc(cc1NC(=O)C[*:1])-c1cccs1
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(F)cc2)[nH]c1=O Fc1ccc(cc1)C[*:1] CCc1c(C)nc([nH]c1=O)-n1nc(cc1NC(=O)[*:1])-c1cccs1
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(F)cc2)[nH]c1=O c1csc(c1)[*:1] CCc1c(C)nc([nH]c1=O)-n1nc(cc1NC(=O)Cc1ccc(F)cc1)[*:1]
CCOc1ccc(-c2ccc(C)cc2C(=O)[O-])c(Cl)c1 CCO[*:1] Cc1ccc(c(c1)C(=O)[O-])-c1ccc(cc1Cl)[*:1]
CCOc1ccc(-c2ccc(C)cc2C(=O)[O-])c(Cl)c1 O=C([O-])[*:1] CCOc1ccc(c(Cl)c1)-c1ccc(C)cc1[*:1]
O=C1N/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccccc1F Fc1ccc(cc1)C[*:1] O=C1N/C(=C\c2cn(c3ccccc23)[*:1])C(=O)N1Cc1ccccc1F
O=C1N/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccccc1F Fc1ccc(cc1)[*:1] O=C1N/C(=C\c2cn(C[*:1])c3ccccc23)C(=O)N1Cc1ccccc1F
O=C1N/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccccc1F Fc1ccccc1[*:1] O=C1N/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1C[*:1]
O=C1N/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccccc1F Fc1ccccc1C[*:1] O=C1N/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1[*:1]
CC(C)Oc1ccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1 CC(C)[*:1] O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1 CC(C)O[*:1] O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1 Cc1ccccc1NC(=O)[*:1] C(=N/Nc1nc(n[nH]1)SC[*:1])\c1cccc2ccccc12
Cc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1 c1ccc2c(cccc2c1)[*:1] Cc1ccccc1NC(=O)CSc1n[nH]c(n1)NN=C[*:1]
Cc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc3ccccc23)n1 Cc1ccccc1[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1cccc2ccccc12)N[*:1]
O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCN(CC1)S(=O)(=O)C[*:1]
O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 O=C(N1CCCCC1)[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)S(=O)(=O)Cc1ccccc1F
CC(C)[C@@H](NC(=O)[C@](C)(N)C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[C@](C)(N)C(F)(F)F)[*:1]
CC(C)[C@@H](NC(=O)[C@](C)(N)C(F)(F)F)c1ccccc1 CC(C)[*:1] C[C@](N)(C(=O)N[C@@H](c1ccccc1)[*:1])C(F)(F)F
CC(C)[C@@H](NC(=O)[C@](C)(N)C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] CC(C)[C@@H](NC(=O)[C@](C)(N)[*:1])c1ccccc1
Cc1cc2sc(NNC(N)=S)nc2cc1Cl NC(=S)NN[*:1] Cc1cc2sc(nc2cc1Cl)[*:1]
CC(C)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2ccccn2)on1 CC(C)c1cc(on1)[*:1] O=C(N[C@@H](c1ccc(F)cc1)c1ccccn1)[*:1]
CC(C)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2ccccn2)on1 CC(C)[*:1] O=C(N[C@@H](c1ccc(F)cc1)c1ccccn1)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2ccccn2)on1 c1ccc(nc1)[*:1] CC(C)c1cc(on1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2ccccn2)on1 Fc1ccc(cc1)[*:1] CC(C)c1cc(on1)C(=O)N[C@@H](c1ccccn1)[*:1]
COC(=O)Nc1cccc(N[C@@H]2CCCS[C@@H]2C)c1 COC(=O)N[*:1] C[C@H]1SCCC[C@H]1Nc1cccc(c1)[*:1]
CC(C)(C)OC(=O)c1nc([O-])n(-c2ccc(Br)cc2)n1 CC(C)(C)[*:1] O=C(O[*:1])c1nc([O-])n(n1)-c1ccc(Br)cc1
CCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O CCC[*:1] Nc1nc(O[*:1])c2ncn(c2n1)[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O
CCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O CCCO[*:1] Nc1nc(c2ncn(c2n1)[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O)[*:1]
C[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](NC(=O)CNC(=O)c1ccc2OCOc2c1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc(S(N)(=O)=O)cc1 c1cc2OCOc2cc1[*:1] C[C@H](NC(=O)CNC(=O)[*:1])c1ccc(cc1)S(N)(=O)=O
Cc1oc(-c2ccco2)nc1CC(=O)NCc1ccc([N+]2=CCCC2)cc1 c1coc(c1)[*:1] Cc1oc(nc1CC(=O)NCc1ccc(cc1)[N+]1=CCCC1)[*:1]
CCC(=O)Nc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cc1 O=C(N1CCCCCC1)[*:1] CCC(=O)Nc1ccc(cc1)-c1cc(c2ccccc2n1)[*:1]
CCC(=O)Nc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cc1 CCC(=O)N[*:1] O=C(c1cc(nc2ccccc12)-c1ccc(cc1)[*:1])N1CCCCCC1
CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[C@H]1CCCCO1 CN(C)S(=O)(=O)[*:1] c1ccc(c(c1)C[NH2+]C[C@H]1CCCCO1)[*:1]
CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] CN(C)S(=O)(=O)c1ccccc1C[NH2+]C[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(-c3cccnc3)on2)C1 CCNS(=O)(=O)[*:1] O=C(c1cc(on1)-c1cccnc1)N1CC[C@H](C1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(-c3cccnc3)on2)C1 c1cncc(c1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)c1cc(on1)[*:1]
C[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])cn1 O=C([O-])[*:1] C[C@@H]1CCCCN1C(=O)Cn1cc(cn1)[*:1]
Cc1cccc(C(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)n1 Cc1cccc(n1)[*:1] Cc1nc(cs1)-c1ccc(cc1)[C@@H](C)NC(=O)[*:1]
Cc1cccc(C(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)n1 Cc1nc(cs1)[*:1] Cc1cccc(n1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CC1(C)COc2ccc(NC(=O)CCc3ccccc3)cc2NC1=O c1ccc(cc1)[*:1] CC1(C)COc2ccc(cc2NC1=O)NC(=O)CC[*:1]
CC1(C)COc2ccc(NC(=O)CCc3ccccc3)cc2NC1=O c1ccc(cc1)C[*:1] CC1(C)COc2ccc(cc2NC1=O)NC(=O)C[*:1]
CC1(C)COc2ccc(NC(=O)CCc3ccccc3)cc2NC1=O c1ccc(cc1)CC[*:1] CC1(C)COc2ccc(cc2NC1=O)NC(=O)[*:1]
Cc1cc([C@@](C)(O)CNC(=O)Nc2cnn(C)c2)c(C)o1 Cn1cc(cn1)[*:1] Cc1cc(c(C)o1)[C@@](C)(O)CNC(=O)N[*:1]
Cc1cc([C@@](C)(O)CNC(=O)Nc2cnn(C)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cn1cc(cn1)NC(=O)NC[C@@](C)(O)[*:1]
C#CCN(Cc1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] O=[N+]([O-])c1ccc(Br)cc1CN([C@@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(Cc1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] C#CCN(Cc1cc(Br)ccc1[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(Cc1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(Cc1cc(Br)ccc1[N+](=O)[O-])[*:1]
O=C(NC1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1)c1ccsc1 O=C(N[*:1])c1ccsc1 Fc1ccc(C[NH+]2CCC(CC2)[*:1])c(c1)C(F)(F)F
O=C(NC1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1)c1ccsc1 FC(F)(F)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(F)cc1[*:1])c1ccsc1
O=C(NC1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1)c1ccsc1 c1cc(cs1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(F)cc1C(F)(F)F)[*:1]
Cc1cc(OC(=O)[C@@H]2CCCO2)cc2c1C(=O)/C(=C/c1cccc(Cl)c1)O2 Clc1cccc(c1)[*:1] Cc1cc(cc2OC(=C[*:1])C(=O)c12)OC(=O)[C@@H]1CCCO1
CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC)cc2)c1C CNC(=O)[*:1] CCn1nc(C)c(c1C)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
COc1ccc(CNC(=O)C2CCN(C3=NS(=O)(=O)C(c4ccc(OC)cc4)=C3C)CC2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)C1CCN(CC1)C1=NS(=O)(=O)C(=C1C)[*:1]
COc1ccc(CNC(=O)C2CCN(C3=NS(=O)(=O)C(c4ccc(OC)cc4)=C3C)CC2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCC(CC1)C(=O)NC[*:1]
COc1ccc(CNC(=O)C2CCN(C3=NS(=O)(=O)C(c4ccc(OC)cc4)=C3C)CC2)cc1 COc1ccc(cc1)C[*:1] COc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCC(CC1)C(=O)N[*:1]
C[C@@H](NC(=O)N1CCC(c2ccn[nH]2)CC1)[C@@H]1COc2ccccc21 c1cc([nH]n1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)[*:1])[C@@H]1COc2ccccc21
Cc1cccc(-c2n[nH]cc2C(=O)N2CCc3c(N(C)C)nc(C)[nH+]c3C2)c1 CN(C)[*:1] Cc1cccc(c1)-c1n[nH]cc1C(=O)N1CCc2c(nc(C)[nH+]c2C1)[*:1]
Cc1cccc(-c2n[nH]cc2C(=O)N2CCc3c(N(C)C)nc(C)[nH+]c3C2)c1 Cc1cccc(c1)[*:1] Cc1nc(c2CCN(Cc2[nH+]1)C(=O)c1c[nH]nc1[*:1])N(C)C
CC[NH2+][C@@]1(C(N)=O)CC[C@@H](N2Cc3ccccc3C2)C1 NC(=O)[*:1] CC[NH2+][C@]1(CC[C@H](C1)N1Cc2ccccc2C1)[*:1]
C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1nnc(-c2ccccc2)o1 c1csc(c1)[*:1] C[C@@H](OC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1nnc(o1)-c1ccccc1
C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)C1CCN(CC1)S(=O)(=O)c1cccs1)c1nnc(o1)[*:1]
O=C(NC[C@H](O)c1ccc(F)cc1)c1ccco1 c1coc(c1)[*:1] O=C(NC[C@H](O)c1ccc(F)cc1)[*:1]
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)C2=O N#Cc1ccc(cc1)[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@H](C)C(=O)N1CCN(CC1)C[*:1]
Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)C2=O N#Cc1ccc(cc1)C[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@H](C)C(=O)N1CCN(CC1)[*:1]
Cc1ccc2c(c1)CCCN2C(=O)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1ccc2c(c1)CCCN2C(=O)[*:1]
Cc1ccc2c(c1)CCCN2C(=O)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1ccc2c(c1)CCCN2C(=O)C[*:1]
CCCCCNC(=O)c1cc2c([nH]c1=O)CC[C@H](C)C2 CCC[*:1] C[C@H]1CCc2[nH]c(=O)c(cc2C1)C(=O)NCC[*:1]
CCCCCNC(=O)c1cc2c([nH]c1=O)CC[C@H](C)C2 CCCC[*:1] C[C@H]1CCc2[nH]c(=O)c(cc2C1)C(=O)NC[*:1]
CCCCCNC(=O)c1cc2c([nH]c1=O)CC[C@H](C)C2 CCCCC[*:1] C[C@H]1CCc2[nH]c(=O)c(cc2C1)C(=O)N[*:1]
CC(C)C[C@H](CNC(=O)N[C@@H](C)C1CCCCC1)C(=O)[O-] C1CCC(CC1)[*:1] CC(C)C[C@H](CNC(=O)N[C@@H](C)[*:1])C(=O)[O-]
CC(C)C[C@H](CNC(=O)N[C@@H](C)C1CCCCC1)C(=O)[O-] CC(C)C[*:1] C[C@H](NC(=O)NC[C@H](C(=O)[O-])[*:1])C1CCCCC1
CC(C)C[C@H](CNC(=O)N[C@@H](C)C1CCCCC1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)N[C@@H](C)C1CCCCC1)[*:1]
CC(C)C[C@H](CNC(=O)N[C@@H](C)C1CCCCC1)C(=O)[O-] CC(C)[*:1] C[C@H](NC(=O)NC[C@@H](C[*:1])C(=O)[O-])C1CCCCC1
CC(C)[C@@H]1CN(CCCN2CCOCC2)CCS1 C1CN(CCO1)[*:1] CC(C)[C@@H]1CN(CCC[*:1])CCS1
CC(C)[C@@H]1CN(CCCN2CCOCC2)CCS1 CC(C)[*:1] C(CN1CCOCC1)CN1CCS[C@@H](C1)[*:1]
Cc1c(Br)c(C(F)F)nn1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCC2 FC(F)[*:1] Cc1c(Br)c(nn1[C@H](C)C(=O)Nc1sc2CCCCc2c1C#N)[*:1]
COCc1ccc(C(=O)N2CCC[C@H](c3cc4nc(N(C)C)ncc4c(=O)[nH]3)C2)o1 COCc1ccc(o1)[*:1] CN(C)c1ncc2c(=O)[nH]c(cc2n1)[C@H]1CCCN(C1)C(=O)[*:1]
COCc1ccc(C(=O)N2CCC[C@H](c3cc4nc(N(C)C)ncc4c(=O)[nH]3)C2)o1 CN(C)[*:1] COCc1ccc(o1)C(=O)N1CCC[C@@H](C1)c1cc2nc(ncc2c(=O)[nH]1)[*:1]
COCc1ccc(C(=O)N2CCC[C@H](c3cc4nc(N(C)C)ncc4c(=O)[nH]3)C2)o1 COC[*:1] CN(C)c1ncc2c(=O)[nH]c(cc2n1)[C@H]1CCCN(C1)C(=O)c1ccc(o1)[*:1]
c1ccc(Cn2ccc3nc(N4CCOCC4)nc(N4CCOCC4)c32)cc1 c1ccc(cc1)[*:1] c1cn(C[*:1])c2c(nc(nc12)N1CCOCC1)N1CCOCC1
c1ccc(Cn2ccc3nc(N4CCOCC4)nc(N4CCOCC4)c32)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)Cn1ccc2nc(nc(c21)[*:1])N1CCOCC1
c1ccc(Cn2ccc3nc(N4CCOCC4)nc(N4CCOCC4)c32)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)Cn1ccc2nc(nc(c21)N1CCOCC1)[*:1]
c1ccc(Cn2ccc3nc(N4CCOCC4)nc(N4CCOCC4)c32)cc1 c1ccc(cc1)C[*:1] c1cn(c2c(nc(nc12)N1CCOCC1)N1CCOCC1)[*:1]
Nc1nc(S[C@H](C(=O)NC2CCCCC2)c2ccccc2)n[nH]1 Nc1nc(n[nH]1)[*:1] O=C(NC1CCCCC1)[C@@H](S[*:1])c1ccccc1
Nc1nc(S[C@H](C(=O)NC2CCCCC2)c2ccccc2)n[nH]1 C1CCC(CC1)[*:1] Nc1nc(n[nH]1)S[C@H](C(=O)N[*:1])c1ccccc1
Nc1nc(S[C@H](C(=O)NC2CCCCC2)c2ccccc2)n[nH]1 Nc1nc(n[nH]1)S[*:1] O=C(NC1CCCCC1)[C@H](c1ccccc1)[*:1]
Nc1nc(S[C@H](C(=O)NC2CCCCC2)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Nc1nc(n[nH]1)S[C@H](C(=O)NC1CCCCC1)[*:1]
COC(=O)c1cccc(CCNC(=O)N[C@H]2CCCC[C@H]2OC)c1 COC(=O)[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)NCCc1cccc(c1)[*:1]
CC(C)CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 CC(C)[*:1] O=C(C[*:1])N1CCC[C@@H]1c1nc2ccccc2s1
CC(C)CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 CC(C)C[*:1] O=C(N1CCC[C@@H]1c1nc2ccccc2s1)[*:1]
CCCn1cc(NC(=O)c2ccc(Br)cc2C)cn1 CCC[*:1] Cc1cc(Br)ccc1C(=O)Nc1cnn(c1)[*:1]
CCN1C(=O)[C@H]2[C@@H](c3ccccc3F)[NH2+][C@@](CO)(C(=O)OC)[C@@H]2C1=O Fc1ccccc1[*:1] CCN1C(=O)[C@H]2[C@@H]([NH2+][C@@](CO)(C(=O)OC)[C@@H]2C1=O)[*:1]
CCN1C(=O)[C@H]2[C@@H](c3ccccc3F)[NH2+][C@@](CO)(C(=O)OC)[C@@H]2C1=O COC(=O)[*:1] CCN1C(=O)[C@H]2[C@H]([NH2+][C@@](CO)([C@@H]2C1=O)[*:1])c1ccccc1F
Cn1ncnc1CCNC(=O)Nc1ccc(F)cc1C(F)(F)F Cn1ncnc1C[*:1] O=C(NC[*:1])Nc1ccc(F)cc1C(F)(F)F
Cn1ncnc1CCNC(=O)Nc1ccc(F)cc1C(F)(F)F FC(F)(F)[*:1] Cn1ncnc1CCNC(=O)Nc1ccc(F)cc1[*:1]
Cn1ncnc1CCNC(=O)Nc1ccc(F)cc1C(F)(F)F Cn1ncnc1[*:1] O=C(NCC[*:1])Nc1ccc(F)cc1C(F)(F)F
Cc1cc(NC(=O)CNC(=O)c2ccccc2C)ccn1 Cc1ccccc1[*:1] Cc1cc(ccn1)NC(=O)CNC(=O)[*:1]
Cc1cc(NC(=O)CNC(=O)c2ccccc2C)ccn1 Cc1cc(ccn1)[*:1] Cc1ccccc1C(=O)NCC(=O)N[*:1]
Cc1ccc(Cn2c(C)c(C[NH2+]C[C@@H]3CCCO3)c(C(=O)[O-])c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1c(C[NH2+]C[C@@H]2CCCO2)c(C(=O)[O-])c(C)n1[*:1]
Cc1ccc(Cn2c(C)c(C[NH2+]C[C@@H]3CCCO3)c(C(=O)[O-])c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(C[NH2+]C[C@@H]2CCCO2)c(C(=O)[O-])c(C)n1C[*:1]
Cc1ccc(Cn2c(C)c(C[NH2+]C[C@@H]3CCCO3)c(C(=O)[O-])c2C)cc1 O=C([O-])[*:1] Cc1ccc(cc1)Cn1c(C)c(C[NH2+]C[C@@H]2CCCO2)c(c1C)[*:1]
COC(=O)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1ccc(NCc2cccnc2)c(c1)[*:1]
COC(=O)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 c1cncc(c1)[*:1] COC(=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
COC(=O)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 COC(=O)[*:1] O=[N+]([O-])c1cc(ccc1NCc1cccnc1)[*:1]
COC(=O)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 c1cncc(c1)C[*:1] COC(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
Cc1ccccc1CN1CCc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc2C1 Cc1ccccc1[*:1] Fc1ccc(cc1)N1CCN(CC1)c1ncc2CN(CCc2n1)C[*:1]
Cc1ccccc1CN1CCc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc2C1 Cc1ccccc1C[*:1] Fc1ccc(cc1)N1CCN(CC1)c1ncc2CN(CCc2n1)[*:1]
Cc1ccccc1CN1CCc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc2C1 Fc1ccc(cc1)[*:1] Cc1ccccc1CN1CCc2nc(ncc2C1)N1CCN(CC1)[*:1]
Cc1ccc(Cl)c(O[C@H](C)C(=O)O[C@@H](C)Cn2cccn2)c1 c1cnn(c1)[*:1] Cc1ccc(Cl)c(c1)O[C@H](C)C(=O)O[C@@H](C)C[*:1]
Cc1ccc(Cl)c(O[C@H](C)C(=O)O[C@@H](C)Cn2cccn2)c1 c1cnn(c1)C[*:1] Cc1ccc(Cl)c(c1)O[C@H](C)C(=O)O[C@@H](C)[*:1]
COc1ccc(-c2cscc2Br)cc1C[NH2+]C(C)C Brc1cscc1[*:1] COc1ccc(cc1C[NH2+]C(C)C)[*:1]
COc1ccc(-c2cscc2Br)cc1C[NH2+]C(C)C CC(C)[*:1] COc1ccc(cc1C[NH2+][*:1])-c1cscc1Br
O=C(CC1c2ccccc2Oc2ccccc21)N1CC[C@H](c2nnc(-c3cccs3)o2)C1 c1csc(c1)[*:1] O=C(CC1c2ccccc2Oc2ccccc21)N1CC[C@@H](C1)c1nnc(o1)[*:1]
O=C(CC1c2ccccc2Oc2ccccc21)N1CC[C@H](c2nnc(-c3cccs3)o2)C1 c1csc(c1)-c1nnc(o1)[*:1] O=C(CC1c2ccccc2Oc2ccccc21)N1CC[C@H](C1)[*:1]
CC(C)[C@@H](NC(=O)CCc1ccccc1Cl)c1nc2ccccc2[nH]1 Clc1ccccc1[*:1] CC(C)[C@@H](NC(=O)CC[*:1])c1nc2ccccc2[nH]1
CC(C)[C@@H](NC(=O)CCc1ccccc1Cl)c1nc2ccccc2[nH]1 Clc1ccccc1C[*:1] CC(C)[C@@H](NC(=O)C[*:1])c1nc2ccccc2[nH]1
CC(C)[C@@H](NC(=O)CCc1ccccc1Cl)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(CCc1ccccc1Cl)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
CC[C@@H](NC(=O)Nc1cccc(-c2ncc(C)o2)c1)c1nccs1 c1csc(n1)[*:1] CC[C@@H](NC(=O)Nc1cccc(c1)-c1ncc(C)o1)[*:1]
CC[C@@H](NC(=O)Nc1cccc(-c2ncc(C)o2)c1)c1nccs1 Cc1cnc(o1)[*:1] CC[C@@H](NC(=O)Nc1cccc(c1)[*:1])c1nccs1
CCC(CC)[C@H](C)NC(=O)c1ccc(C[NH3+])o1 CCC(CC)[*:1] C[C@H](NC(=O)c1ccc(C[NH3+])o1)[*:1]
O=C(NCc1cccnc1)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 c1cncc(c1)[*:1] O=C(NC[*:1])c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1
O=C(NCc1cccnc1)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1ccccc1NC(=O)C(c1ccccc1)[*:1]
O=C(NCc1cccnc1)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 O=C(NCc1cccnc1)[*:1] O=C(Nc1ccccc1[*:1])C(c1ccccc1)c1ccccc1
O=C(NCc1cccnc1)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 c1cncc(c1)C[*:1] O=C(N[*:1])c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1
O=C(Cc1csc(-c2ccccc2F)n1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1ccccc1F)NC1CC[NH+](CC1)C[*:1]
O=C(Cc1csc(-c2ccccc2F)n1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Cc1csc(n1)-c1ccccc1F)NC1CC[NH+](CC1)[*:1]
O=C(Cc1csc(-c2ccccc2F)n1)NC1CC[NH+](Cc2ccccc2)CC1 Fc1ccccc1[*:1] O=C(Cc1csc(n1)[*:1])NC1CC[NH+](CC1)Cc1ccccc1
C=CCNC(=O)Cn1ccnc1C#N C=CC[*:1] N#Cc1nccn1CC(=O)N[*:1]
CC(C)(C)Oc1ccc(NC(=O)c2ccc(CNS(C)(=O)=O)o2)cc1 CC(C)(C)[*:1] CS(=O)(=O)NCc1ccc(o1)C(=O)Nc1ccc(cc1)O[*:1]
CC(C)(C)Oc1ccc(NC(=O)c2ccc(CNS(C)(=O)=O)o2)cc1 CS(=O)(=O)NC[*:1] CC(C)(C)Oc1ccc(cc1)NC(=O)c1ccc(o1)[*:1]
CC(C)(C)Oc1ccc(NC(=O)c2ccc(CNS(C)(=O)=O)o2)cc1 CS(=O)(=O)N[*:1] CC(C)(C)Oc1ccc(cc1)NC(=O)c1ccc(C[*:1])o1
CC(C)(C)Oc1ccc(NC(=O)c2ccc(CNS(C)(=O)=O)o2)cc1 CC(C)(C)O[*:1] CS(=O)(=O)NCc1ccc(o1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(CN2CCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)no1 Cc1cc(C[*:1])no1 CC(C)Oc1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)no1 CC(C)O[*:1] Cc1cc(CN2CCN(CC2)C(=O)Nc2ccc(cc2)[*:1])no1
Cc1cc(CN2CCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)no1 Cc1cc(no1)[*:1] CC(C)Oc1ccc(cc1)NC(=O)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)no1 CC(C)[*:1] Cc1cc(CN2CCN(CC2)C(=O)Nc2ccc(cc2)O[*:1])no1
CC(C)CCNC(=O)[C@H]1CC[C@@H](C[NH3+])O1 CC(C)CC[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)N[*:1]
CC(C)CCNC(=O)[C@H]1CC[C@@H](C[NH3+])O1 CC(C)C[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)NC[*:1]
CC(C)CCNC(=O)[C@H]1CC[C@@H](C[NH3+])O1 CC(C)[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)NCC[*:1]
O=c1ccc(C(F)(F)F)cn1CCOc1ccc([N+](=O)[O-])cc1 FC(F)(F)[*:1] O=c1ccc(cn1CCOc1ccc(cc1)[N+](=O)[O-])[*:1]
O=c1ccc(C(F)(F)F)cn1CCOc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=c1ccc(cn1CCOc1ccc(cc1)[*:1])C(F)(F)F
CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@@H](C)C3)c1 CCOc1cccc(c1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C(=O)N[C@H]1CCS(=O)(=O)C1
CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@@H](C)C3)c1 CCO[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)c1cccc(c1)[*:1])c2C(=O)N[C@H]1CCS(=O)(=O)C1
COC(=O)c1sccc1S(=O)(=O)Nc1c(C)cccc1C COC(=O)[*:1] Cc1cccc(C)c1NS(=O)(=O)c1ccsc1[*:1]
COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1c(F)cc(Br)cc1F COC(=O)[*:1] O=C(N[C@@H]1CCC[C@H]1[*:1])c1c(F)cc(Br)cc1F
Cc1ccc(C[NH+]2CCN(CC(=O)N(C)C3CCCCC3)CC2)o1 C1CCC(CC1)[*:1] Cc1ccc(C[NH+]2CCN(CC2)CC(=O)N(C)[*:1])o1
Cc1ccc(C[NH+]2CCN(CC(=O)N(C)C3CCCCC3)CC2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)CN1CC[NH+](CC1)[*:1])C1CCCCC1
Cc1ccc(C[NH+]2CCN(CC(=O)N(C)C3CCCCC3)CC2)o1 Cc1ccc(o1)[*:1] CN(C(=O)CN1CC[NH+](CC1)C[*:1])C1CCCCC1
CCc1oc2ccccc2c1CN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CCc1oc2ccccc2c1CN(C)C(=O)C1CCN(CC1)C(=O)O[*:1]
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cnc(s1)[*:1]
C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cnc(-c2ccccc2)s1 c1csc(c1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)Nc1cnc(s1)-c1ccccc1
O=C(Nc1cc(F)ccc1F)C(=O)N[C@H]1C[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1cc(F)ccc1F)C(=O)N[C@H]1C[C@@H]1[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 C1CC1[*:1] CC[C@@H](C)NC(=O)CCNC(=O)c1cc(nc2ccc(F)cc12)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 CC[C@@H](C)[*:1] O=C(CCNC(=O)c1cc(nc2ccc(F)cc12)C1CC1)N[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 CC[C@@H](C)NC(=O)[*:1] O=C(NCC[*:1])c1cc(nc2ccc(F)cc12)C1CC1
CC[C@@H](C)NC(=O)CCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 CC[C@@H](C)NC(=O)C[*:1] O=C(NC[*:1])c1cc(nc2ccc(F)cc12)C1CC1
O=C(C[NH+]1CCC(Cn2cnc3ccccc32)CC1)N1CCCc2ccccc21 c1ccc2c(c1)ncn2[*:1] O=C(C[NH+]1CCC(CC1)C[*:1])N1CCCc2ccccc21
O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1ccc2c(c1)oc1ccccc12)[*:1]
CN1CCO[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCO[C@@H](CNC(=O)CC[C@H]([NH3+])[*:1])C1
CN1CCO[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 CN1CCO[C@@H](C1)[*:1] [NH3+][C@@H](CCC(=O)NC[*:1])c1ccccc1
Cc1nn(C)c(NCc2ccc(-c3ccccc3C#N)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)c(NCc2ccc(cc2)-c2ccccc2C#N)c1[*:1]
Cc1nn(C)c(NCc2ccc(-c3ccccc3C#N)cc2)c1[N+](=O)[O-] N#Cc1ccccc1[*:1] Cc1nn(C)c(NCc2ccc(cc2)[*:1])c1[N+](=O)[O-]
O=C([O-])C[C@@H]1CSCCN1c1nc[nH+]c2c1CCCCC2 O=C([O-])C[*:1] c1nc(c2CCCCCc2[nH+]1)N1CCSC[C@H]1[*:1]
O=C([O-])C[C@@H]1CSCCN1c1nc[nH+]c2c1CCCCC2 O=C([O-])[*:1] c1nc(c2CCCCCc2[nH+]1)N1CCSC[C@H]1C[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](C)N(C)C(=O)N[C@@H](C)[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)N(C)[C@H](C)[*:1])c1ccc(C#N)cc1
c1ccc([C@@H](Cn2ccnc2-c2ccncc2)[NH+]2CCCCC2)cc1 c1cc(ccn1)[*:1] c1ccc(cc1)[C@@H](Cn1ccnc1[*:1])[NH+]1CCCCC1
c1ccc([C@@H](Cn2ccnc2-c2ccncc2)[NH+]2CCCCC2)cc1 c1ccc(cc1)[*:1] c1cc(ccn1)-c1nccn1C[C@@H]([NH+]1CCCCC1)[*:1]
C#CCOc1cc(F)ccc1NCc1ncccc1C(F)(F)F FC(F)(F)[*:1] C#CCOc1cc(F)ccc1NCc1ncccc1[*:1]
C#CCOc1cc(F)ccc1NCc1ncccc1C(F)(F)F C#CC[*:1] Fc1ccc(NCc2ncccc2C(F)(F)F)c(c1)O[*:1]
C#CCOc1cc(F)ccc1NCc1ncccc1C(F)(F)F C#CCO[*:1] Fc1ccc(NCc2ncccc2C(F)(F)F)c(c1)[*:1]
Cc1ccc(CCCC(=O)NCc2cnc(C)s2)s1 Cc1ccc(s1)[*:1] Cc1ncc(CNC(=O)CCC[*:1])s1
Cc1ccc(CCCC(=O)NCc2cnc(C)s2)s1 Cc1ncc(s1)[*:1] Cc1ccc(CCCC(=O)NC[*:1])s1
Cc1cc2ncc([C@@H](C)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)c(C)n2n1 Fc1ccc(cc1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)NC[C@@H]([NH+](C)C)[*:1]
C[C@@H](NC(=O)c1scnc1C1CC1)c1nc2ccccc2n1C C1CC1[*:1] C[C@@H](NC(=O)c1scnc1[*:1])c1nc2ccccc2n1C
C[C@@H](c1cccc(Cl)c1)N(C)/C=C\C(=O)[O-] O=C([O-])[*:1] C[C@@H](c1cccc(Cl)c1)N(C)C=C[*:1]
Cn1cnnc1-c1cncc(NCc2cc(-c3ccccc3)cs2)c1 c1ccc(cc1)[*:1] Cn1cnnc1-c1cncc(c1)NCc1cc(cs1)[*:1]
Cn1cnnc1-c1cncc(NCc2cc(-c3ccccc3)cs2)c1 Cn1cnnc1[*:1] c1ccc(cc1)-c1csc(c1)CNc1cncc(c1)[*:1]
Cc1nc(COc2ccc(C(=O)Nc3cccnc3)cc2)cs1 Cc1nc(cs1)C[*:1] O=C(Nc1cccnc1)c1ccc(cc1)O[*:1]
Cc1nc(COc2ccc(C(=O)Nc3cccnc3)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1cccnc1)c1ccc(cc1)OC[*:1]
Cc1nc(COc2ccc(C(=O)Nc3cccnc3)cc2)cs1 c1cncc(c1)[*:1] Cc1nc(cs1)COc1ccc(cc1)C(=O)N[*:1]
O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(OCc1cn(nn1)-c1ccc(Cl)cc1)[*:1]
O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(OCc1cn(nn1)[*:1])c1ccc(Cl)cc1
Nc1c(Nc2nc3ccccc3s2)ncnc1Nc1ccccc1F Fc1ccccc1[*:1] Nc1c(ncnc1N[*:1])Nc1nc2ccccc2s1
Nc1c(Nc2nc3ccccc3s2)ncnc1Nc1ccccc1F Fc1ccccc1N[*:1] Nc1c(ncnc1[*:1])Nc1nc2ccccc2s1
COC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(C)s1 Cc1ccc(s1)[*:1] COC(=O)[C@H](C)CN(C)S(=O)(=O)[*:1]
COC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(C)s1 COC(=O)[C@H](C)[*:1] Cc1ccc(s1)S(=O)(=O)N(C)C[*:1]
COC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(C)s1 COC(=O)[*:1] Cc1ccc(s1)S(=O)(=O)N(C)C[C@@H](C)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CC(=O)N[*:1] CC(C)CC(C)(C)C(=O)N1CCC[C@H](C1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CC(C)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)C(C)(C)C[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 CC(C)C[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)C(C)(C)[*:1]
CC[C@@H](C)CN(CC)c1c(F)cc(C=O)cc1F CC[C@@H](C)C[*:1] CCN(c1c(F)cc(C=O)cc1F)[*:1]
CC[C@@H](C)CN(CC)c1c(F)cc(C=O)cc1F CC[C@@H](C)[*:1] CCN(C[*:1])c1c(F)cc(C=O)cc1F
Cc1ccc(NC(=O)Cc2nc(-c3cccc(Br)c3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1nc(cs1)-c1cccc(Br)c1)N[*:1]
Cc1ccc(NC(=O)Cc2nc(-c3cccc(Br)c3)cs2)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)Cc1nc(cs1)[*:1]
CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1F Cc1ccc(cc1)[*:1] CCn1c(nnc1-c1ccccc1F)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1F Fc1ccccc1[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1ccc(C)cc1
CCOC[C@@H]1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 CCOC[*:1] O=C(Nc1cnn(c1)CCN1CCOCC1)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 C1CN(CCO1)CC[*:1] CCOC[C@@H]1CCN(C1)C(=O)Nc1cnn(c1)[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 C1CN(CCO1)C[*:1] CCOC[C@@H]1CCN(C1)C(=O)Nc1cnn(c1)C[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 C1CN(CCO1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)Nc1cnn(c1)CC[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 CCO[*:1] O=C(Nc1cnn(c1)CCN1CCOCC1)N1CC[C@H](C1)C[*:1]
COc1ccc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)nn1 CN(C)C(=O)C[*:1] COc1ccc(nn1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)nn1 CN(C)C(=O)[*:1] COc1ccc(nn1)C(=O)Nc1ccc(cc1)C[*:1]
CCONC(=O)[C@@H]1CS[C@H](CC(C)C)N1C(=O)C=C(C)C CC(C)=C[*:1] CCONC(=O)[C@@H]1CS[C@H](CC(C)C)N1C(=O)[*:1]
CCONC(=O)[C@@H]1CS[C@H](CC(C)C)N1C(=O)C=C(C)C CCONC(=O)[*:1] CC(C)=CC(=O)N1[C@@H](CC(C)C)SC[C@H]1[*:1]
CCONC(=O)[C@@H]1CS[C@H](CC(C)C)N1C(=O)C=C(C)C CC(C)[*:1] CCONC(=O)[C@@H]1CS[C@H](C[*:1])N1C(=O)C=C(C)C
CCONC(=O)[C@@H]1CS[C@H](CC(C)C)N1C(=O)C=C(C)C CC(C)C[*:1] CCONC(=O)[C@@H]1CS[C@H](N1C(=O)C=C(C)C)[*:1]
CCC(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1OC CCC(C)(C)[*:1] COc1c(Cl)cc(Cl)cc1C[NH2+][*:1]
CC(C)c1cc(C(=O)N2C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C2)no1 CN(C)C(=O)N[*:1] CC(C)c1cc(no1)C(=O)N1C[C@@H]([C@@H](C1)C(C)C)[*:1]
CC(C)c1cc(C(=O)N2C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C2)no1 CC(C)[*:1] CC(C)[C@@H]1CN(C[C@H]1NC(=O)N(C)C)C(=O)c1cc(on1)[*:1]
CC(C)c1cc(C(=O)N2C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C2)no1 CC(C)c1cc(no1)[*:1] CC(C)[C@@H]1CN(C[C@H]1NC(=O)N(C)C)C(=O)[*:1]
CC(C)c1cc(C(=O)N2C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C2)no1 CC(C)[*:1] CC(C)c1cc(no1)C(=O)N1C[C@@H](NC(=O)N(C)C)[C@H](C1)[*:1]
CCc1nc2ccccc2c(=O)n1N1C[C@]1(C)C(=O)OC COC(=O)[*:1] CCc1nc2ccccc2c(=O)n1N1C[C@@]1(C)[*:1]
COc1ccc(Cl)cc1[C@]1(C[NH2+]C(C)C)CC[C@H]1C CC(C)[*:1] COc1ccc(Cl)cc1[C@@]1(CC[C@H]1C)C[NH2+][*:1]
Cc1cc(C)cc(Oc2ncnc(NNC(=O)c3ccccc3C)c2[N+](=O)[O-])c1 Cc1ccccc1[*:1] Cc1cc(C)cc(c1)Oc1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
Cc1cc(C)cc(Oc2ncnc(NNC(=O)c3ccccc3C)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)Oc1ncnc(NNC(=O)c2ccccc2C)c1[*:1]
Cc1cc(C)cc(Oc2ncnc(NNC(=O)c3ccccc3C)c2[N+](=O)[O-])c1 Cc1cc(C)cc(c1)O[*:1] Cc1ccccc1C(=O)NNc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1cc(C)cc(Oc2ncnc(NNC(=O)c3ccccc3C)c2[N+](=O)[O-])c1 Cc1cc(C)cc(c1)[*:1] Cc1ccccc1C(=O)NNc1ncnc(O[*:1])c1[N+](=O)[O-]
CC(C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(C)OC(=O)[*:1] C[C@@H]1CCc2c(C1)sc1ncn(C[*:1])c(=O)c21
CC(C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(C)OC(=O)C[*:1] C[C@@H]1CCc2c(C1)sc1ncn(c(=O)c21)[*:1]
CC(C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 CC(C)[*:1] C[C@@H]1CCc2c(C1)sc1ncn(CC(=O)O[*:1])c(=O)c21
CNC(=O)c1cncc(/C=C/C(=O)N[C@H](C)c2cc(C)ccc2C)c1 Cc1ccc(C)c(c1)[*:1] CNC(=O)c1cncc(/C=C/C(=O)N[C@H](C)[*:1])c1
CNC(=O)c1cncc(/C=C/C(=O)N[C@H](C)c2cc(C)ccc2C)c1 CNC(=O)[*:1] Cc1ccc(C)c(c1)[C@@H](C)NC(=O)/C=C/c1cncc(c1)[*:1]
COC(=O)c1ccc(CN(C)C(=O)CN2CCOC[C@H]2C)cc1 COC(=O)[*:1] C[C@@H]1COCCN1CC(=O)N(C)Cc1ccc(cc1)[*:1]
CCC(C)(C)[NH+](C)Cc1cc2cnn(C(C)C)c2nc1Cl CC(C)[*:1] CCC(C)(C)[NH+](C)Cc1cc2cnn(c2nc1Cl)[*:1]
CCC(C)(C)[NH+](C)Cc1cc2cnn(C(C)C)c2nc1Cl CCC(C)(C)[*:1] CC(C)n1ncc2cc(C[NH+](C)[*:1])c(Cl)nc21
O=C([C@@H](O)c1ccccc1)N(Cc1ccco1)Cc1ccco1 c1coc(c1)C[*:1] O=C([C@@H](O)c1ccccc1)N(Cc1ccco1)[*:1]
O=C([C@@H](O)c1ccccc1)N(Cc1ccco1)Cc1ccco1 c1ccc(cc1)[*:1] O=C([C@@H](O)[*:1])N(Cc1ccco1)Cc1ccco1
O=C([C@@H](O)c1ccccc1)N(Cc1ccco1)Cc1ccco1 c1coc(c1)[*:1] O=C([C@@H](O)c1ccccc1)N(Cc1ccco1)C[*:1]
COC(=O)c1ccccc1NS(=O)(=O)c1cnc(Cl)c(Br)c1 COC(=O)[*:1] O=S(=O)(Nc1ccccc1[*:1])c1cnc(Cl)c(Br)c1
CC(C)(C)Nc1[nH]nc2c1C(C)(C)OC2(C)C CC(C)(C)[*:1] CC1(C)OC(C)(C)c2c1n[nH]c2N[*:1]
CC(C)(C)Nc1[nH]nc2c1C(C)(C)OC2(C)C CC(C)(C)N[*:1] CC1(C)OC(C)(C)c2c1n[nH]c2[*:1]
CC(C)c1nc(CC(=O)NNc2cccc(Cl)c2)cs1 CC(C)[*:1] O=C(Cc1csc(n1)[*:1])NNc1cccc(Cl)c1
CC(=O)Nc1cc(C(=O)OCc2nc3cc(C(F)(F)F)ccc3n2C)ccc1F CC(=O)N[*:1] Cn1c(COC(=O)c2ccc(F)c(c2)[*:1])nc2cc(ccc21)C(F)(F)F
CC(=O)Nc1cc(C(=O)OCc2nc3cc(C(F)(F)F)ccc3n2C)ccc1F FC(F)(F)[*:1] CC(=O)Nc1cc(ccc1F)C(=O)OCc1nc2cc(ccc2n1C)[*:1]
COc1ccc(S(=O)(=O)NC(C)C)cc1C(C)C CC(C)[*:1] COc1ccc(cc1C(C)C)S(=O)(=O)N[*:1]
COc1ccc(S(=O)(=O)NC(C)C)cc1C(C)C CC(C)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)NC(C)C
C/C(=C/C(=O)N1CCOC[C@@H]1C(N)=O)c1ccccc1Cl NC(=O)[*:1] C/C(=C/C(=O)N1CCOC[C@H]1[*:1])c1ccccc1Cl
C/C(=C/C(=O)N1CCOC[C@@H]1C(N)=O)c1ccccc1Cl Clc1ccccc1[*:1] CC(=CC(=O)N1CCOC[C@@H]1C(N)=O)[*:1]
CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)O[C@H](C)C(=O)Nc1ccccc1[*:1]
CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)[O-])cc1 CC(C)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)Nc1ccccc1C(=O)[O-]
COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2)cc1 COc1ccc(cc1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OC[*:1])c1ccccc1
COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)COC(=O)C1=C(C)NC(=O)N[C@H]1[*:1]
CC(=O)N[C@@H](C)COc1ccc(F)cc1F CC(=O)N[*:1] C[C@@H](COc1ccc(F)cc1F)[*:1]
COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1O[C@H](C)[C@@H](C)O O=C([O-])[*:1] COc1cc(c(cc1O[C@H](C)[C@@H](C)O)[N+](=O)[O-])[*:1]
COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1O[C@H](C)[C@@H](C)O C[C@@H](O)[*:1] COc1cc(C(=O)[O-])c(cc1O[C@H](C)[*:1])[N+](=O)[O-]
COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1O[C@H](C)[C@@H](C)O C[C@@H](O)[C@@H](C)O[*:1] COc1cc(C(=O)[O-])c(cc1[*:1])[N+](=O)[O-]
COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1O[C@H](C)[C@@H](C)O O=[N+]([O-])[*:1] COc1cc(C(=O)[O-])c(cc1O[C@H](C)[C@@H](C)O)[*:1]
Cc1csc([C@@H](C)[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)n1 Cc1csc(n1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1nc2ccc(Cl)cc2n1C
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2F)sc2c1CCCC2 CCOC(=O)[*:1] N#C/C(=C\c1ccccc1F)C(=O)Nc1sc2CCCCc2c1[*:1]
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2F)sc2c1CCCC2 Fc1ccccc1[*:1] CCOC(=O)c1c(NC(=O)C(C#N)=C[*:1])sc2CCCCc21
CSCc1cnc(NN)s1 CSC[*:1] NNc1ncc(s1)[*:1]
COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] COc1ccccc1NC(=O)N1CCC[C@@H]1[*:1]
COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NC1CCCC1 COc1ccccc1[*:1] O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)N[*:1]
COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NC1CCCC1 C1CCC(C1)[*:1] COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)N[*:1]
C[C@@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)CC1 C[C@@H](c1ccccc1)[*:1] O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)N1CCN(CC1)[*:1]
C[C@@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)CC1 c1ccc(cc1)[*:1] C[C@@H](N1CCN(CC1)C(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)[*:1]
Nc1ncc(F)cc1C#CCO OCC#C[*:1] Nc1ncc(F)cc1[*:1]
CS(=O)(=O)N1CCO[C@H](CNC(=O)Nc2ccccc2-n2cccn2)C1 c1cnn(c1)[*:1] CS(=O)(=O)N1CCO[C@H](CNC(=O)Nc2ccccc2[*:1])C1
Cc1ccc(F)c(NC(=O)NC(=O)CCCCC(=O)[O-])c1 O=C([O-])CC[*:1] Cc1ccc(F)c(c1)NC(=O)NC(=O)CC[*:1]
Cc1ccc(F)c(NC(=O)NC(=O)CCCCC(=O)[O-])c1 O=C([O-])C[*:1] Cc1ccc(F)c(c1)NC(=O)NC(=O)CCC[*:1]
Cc1ccc(F)c(NC(=O)NC(=O)CCCCC(=O)[O-])c1 O=C([O-])CCCC[*:1] Cc1ccc(F)c(c1)NC(=O)NC(=O)[*:1]
Cc1ccc(F)c(NC(=O)NC(=O)CCCCC(=O)[O-])c1 O=C([O-])CCC[*:1] Cc1ccc(F)c(c1)NC(=O)NC(=O)C[*:1]
Cc1ccc(F)c(NC(=O)NC(=O)CCCCC(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(F)c(c1)NC(=O)NC(=O)CCCC[*:1]
O=C(Cc1ccccc1)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1 O=C(Cc1ccccc1)N[*:1] c1cc(cc(c1)[*:1])-c1ccc2nnc(-c3ccncc3)n2n1
O=C(Cc1ccccc1)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)-c1ccc2nnc(-c3ccncc3)n2n1)[*:1]
O=C(Cc1ccccc1)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1 c1cc(ccn1)[*:1] O=C(Cc1ccccc1)Nc1cccc(c1)-c1ccc2nnc(n2n1)[*:1]
O=C(Cc1ccccc1)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1cccc(c1)-c1ccc2nnc(-c3ccncc3)n2n1
Cc1cc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)nc(C(C)C)n1 Cc1noc(C)c1[*:1] Cc1cc(nc(n1)C(C)C)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])N1CCN(CC1)S(=O)(=O)c1c(C)noc1C
Cc1nn(-c2ccccc2)c(C)c1[C@@H](C)[NH2+][C@H](CCO)C1CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1[C@@H](C)[NH2+][C@H](CCO)C1CC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1[C@@H](C)[NH2+][C@H](CCO)C1CC1 OCC[*:1] Cc1nn(-c2ccccc2)c(C)c1[C@@H](C)[NH2+][C@H](C1CC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1[C@@H](C)[NH2+][C@H](CCO)C1CC1 C1CC1[*:1] Cc1nn(-c2ccccc2)c(C)c1[C@@H](C)[NH2+][C@H](CCO)[*:1]
C[C@@H](CNS(=O)(=O)c1c(F)cccc1F)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNS(=O)(=O)c1c(F)cccc1F)[*:1]
C[C@@H](CNS(=O)(=O)c1c(F)cccc1F)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNS(=O)(=O)c1c(F)cccc1F)O[*:1]
CC[C@@H](C)[C@H](C)N(C(=O)/C=C/c1cccc(F)c1)C1CC1 Fc1cccc(c1)[*:1] CC[C@@H](C)[C@H](C)N(C(=O)C=C[*:1])C1CC1
CC[C@@H](C)[C@H](C)N(C(=O)/C=C/c1cccc(F)c1)C1CC1 C1CC1[*:1] CC[C@@H](C)[C@H](C)N(C(=O)/C=C/c1cccc(F)c1)[*:1]
CC[C@@H](C)[C@H](C)N(C(=O)/C=C/c1cccc(F)c1)C1CC1 CC[C@@H](C)[*:1] C[C@H](N(C(=O)/C=C/c1cccc(F)c1)C1CC1)[*:1]
COC(=O)c1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])/C(=C/c1ccco1)c1ccccc1
COC(=O)c1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 c1ccc(cc1)[*:1] COC(=O)c1cccc(c1)NC(=O)/C(=C/c1ccco1)[*:1]
COC(=O)c1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 c1coc(c1)[*:1] COC(=O)c1cccc(c1)NC(=O)C(=C[*:1])c1ccccc1
CC(C)(C)c1cc(NC(=O)NCc2cccnc2)n(C(C)(C)C)n1 CC(C)(C)[*:1] CC(C)(C)n1nc(cc1NC(=O)NCc1cccnc1)[*:1]
CC(C)(C)c1cc(NC(=O)NCc2cccnc2)n(C(C)(C)C)n1 c1cncc(c1)[*:1] CC(C)(C)c1cc(NC(=O)NC[*:1])n(n1)C(C)(C)C
CC(C)(C)c1cc(NC(=O)NCc2cccnc2)n(C(C)(C)C)n1 c1cncc(c1)C[*:1] CC(C)(C)c1cc(NC(=O)N[*:1])n(n1)C(C)(C)C
CC(C)(C)c1cc(NC(=O)NCc2cccnc2)n(C(C)(C)C)n1 CC(C)(C)[*:1] CC(C)(C)c1cc(NC(=O)NCc2cccnc2)n(n1)[*:1]
COCC[S@](=O)[C@H](C)C(=O)Nc1ccc(C)c(Cl)c1 COCC[*:1] Cc1ccc(cc1Cl)NC(=O)[C@@H](C)[S@@](=O)[*:1]
COCC[S@](=O)[C@H](C)C(=O)Nc1ccc(C)c(Cl)c1 COC[*:1] Cc1ccc(cc1Cl)NC(=O)[C@@H](C)[S@@](=O)C[*:1]
c1cncc(CN2CNC3=N[C@H](c4ccc5c(c4)OCCCO5)n4c(nc5ccccc54)N3C2)c1 c1cncc(c1)[*:1] c1ccc2c(c1)nc1N3CN(CNC3=N[C@H](c3ccc4OCCCOc4c3)n12)C[*:1]
c1cncc(CN2CNC3=N[C@H](c4ccc5c(c4)OCCCO5)n4c(nc5ccccc54)N3C2)c1 c1cc2OCCCOc2cc1[*:1] c1cncc(c1)CN1CNC2=N[C@H](n3c(nc4ccccc43)N2C1)[*:1]
c1cncc(CN2CNC3=N[C@H](c4ccc5c(c4)OCCCO5)n4c(nc5ccccc54)N3C2)c1 c1cncc(c1)C[*:1] c1ccc2c(c1)nc1N3CN(CNC3=N[C@H](c3ccc4OCCCOc4c3)n12)[*:1]
CC[NH+]1CCN(c2ccccc2NC(=O)CSc2nncn2C)CC1 Cn1cnnc1S[*:1] CC[NH+]1CCN(CC1)c1ccccc1NC(=O)C[*:1]
CC[NH+]1CCN(c2ccccc2NC(=O)CSc2nncn2C)CC1 Cn1cnnc1SC[*:1] CC[NH+]1CCN(CC1)c1ccccc1NC(=O)[*:1]
CC[NH+]1CCN(c2ccccc2NC(=O)CSc2nncn2C)CC1 Cn1cnnc1[*:1] CC[NH+]1CCN(CC1)c1ccccc1NC(=O)CS[*:1]
CCc1nn(C)cc1C[NH2+][C@@H]1CCOc2ccc(C(C)C)cc21 CC(C)[*:1] CCc1nn(C)cc1C[NH2+][C@@H]1CCOc2ccc(cc21)[*:1]
N#Cc1c(-c2cccn2-c2ccccn2)cc(C2CC2)nc1N C1CC1[*:1] N#Cc1c(cc(nc1N)[*:1])-c1cccn1-c1ccccn1
N#Cc1c(-c2cccn2-c2ccccn2)cc(C2CC2)nc1N c1ccc(nc1)[*:1] N#Cc1c(cc(nc1N)C1CC1)-c1cccn1[*:1]
COc1cccc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)c1 c1csc(c1)[*:1] COc1cccc(c1)NC(=O)[C@@H](NS(=O)(=O)[*:1])C(C)C
COc1cccc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)c1 COc1cccc(c1)[*:1] CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[*:1]
COc1cccc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)c1 CC(C)[*:1] COc1cccc(c1)NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[*:1]
CCOc1ccc2nc(NC(=O)c3cc4ccccc4oc3=O)sc2c1 CCO[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1cc2ccccc2oc1=O
Fc1ccc(-c2ccnc(N3CCCCC3)n2)cc1 C1CCN(CC1)[*:1] Fc1ccc(cc1)-c1ccnc(n1)[*:1]
CC(C)(C)Oc1ccccc1NC1CCN(C(N)=O)CC1 CC(C)(C)O[*:1] NC(=O)N1CCC(CC1)Nc1ccccc1[*:1]
CC(C)(C)Oc1ccccc1NC1CCN(C(N)=O)CC1 CC(C)(C)[*:1] NC(=O)N1CCC(CC1)Nc1ccccc1O[*:1]
COC(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c(F)c1 COC(=O)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1ccc(cc1F)[*:1]
CN(C)c1cc(C(F)(F)F)nc(NCCCO)n1 CN(C)[*:1] OCCCNc1nc(cc(n1)[*:1])C(F)(F)F
CN(C)c1cc(C(F)(F)F)nc(NCCCO)n1 OCCCN[*:1] CN(C)c1cc(nc(n1)[*:1])C(F)(F)F
CN(C)c1cc(C(F)(F)F)nc(NCCCO)n1 FC(F)(F)[*:1] CN(C)c1cc(nc(n1)NCCCO)[*:1]
CN(C)c1cc(C(F)(F)F)nc(NCCCO)n1 OCCC[*:1] CN(C)c1cc(nc(n1)N[*:1])C(F)(F)F
CN(C)c1cc(C(F)(F)F)nc(NCCCO)n1 OCC[*:1] CN(C)c1cc(nc(n1)NC[*:1])C(F)(F)F
COc1cccc(-c2[nH]nc3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)c1 COc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1C(C#N)=C(N)Oc2n[nH]c(c21)[*:1]
CC(C)c1nnc(NC(=O)CCCN2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)s1 CC(C)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCC(=O)Nc1nnc(s1)[*:1])C2=O
CC(C)c1nnc(NC(=O)CCCN2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)s1 CC(C)c1nnc(s1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCC(=O)N[*:1])C2=O
O=C(CCc1nc(C2CC2)no1)OCC#Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1nc(no1)C1CC1)OCC#C[*:1]
O=C(CCc1nc(C2CC2)no1)OCC#Cc1ccccc1 C1CC1[*:1] O=C(CCc1nc(no1)[*:1])OCC#Cc1ccccc1
C[NH+](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)SC1=N[*:1]
C[NH+](C)CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccccc1 Clc1cccc(c1)[*:1] C[NH+](C)CCN1C(=O)[C@H](CC(=O)N[*:1])S/C1=N\c1ccccc1
Cc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1 c1coc(c1)[*:1] Cc1cccc(c1)-c1nn2c(nnc2s1)[*:1]
CCOC(=O)c1sc2nc(C)nc(NC[C@@H]3CCCO3)c2c1C C1CO[C@@H](C1)CN[*:1] CCOC(=O)c1sc2nc(C)nc(c2c1C)[*:1]
CCOC(=O)c1sc2nc(C)nc(NC[C@@H]3CCCO3)c2c1C CCOC(=O)[*:1] Cc1nc(NC[C@@H]2CCCO2)c2c(C)c(sc2n1)[*:1]
CCOC(=O)c1sc2nc(C)nc(NC[C@@H]3CCCO3)c2c1C C1CO[C@@H](C1)C[*:1] CCOC(=O)c1sc2nc(C)nc(N[*:1])c2c1C
CCOC(=O)c1sc2nc(C)nc(NC[C@@H]3CCCO3)c2c1C C1CO[C@@H](C1)[*:1] CCOC(=O)c1sc2nc(C)nc(NC[*:1])c2c1C
Cc1cc(Cl)ccc1OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] Cc1cc(Cl)ccc1OC(=O)c1ccc(cc1)[*:1]
Cc1cc(Cl)ccc1OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] Cc1cc(Cl)ccc1OC(=O)c1ccc(cc1)S(=O)(=O)[*:1]
C=CCNC(=O)N1CCC[C@@H](c2noc(CC)n2)C1 C=CC[*:1] CCc1nc(no1)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1cccc(/C(C)=C/C(=O)NNc2nc(-c3ccncc3)no2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)/C(C)=C/C(=O)NNc1nc(no1)[*:1]
COc1cccc(/C(C)=C/C(=O)NNc2nc(-c3ccncc3)no2)c1 COc1cccc(c1)[*:1] CC(=CC(=O)NNc1nc(no1)-c1ccncc1)[*:1]
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 NC(=O)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)c1ccc(cc1)CN1C(=O)CCC1=O)[*:1]
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] C[C@@H]1CC[C@H](CN1C(=O)c1ccc(cc1)C[*:1])C(N)=O
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1C[*:1] C[C@@H]1CC[C@H](CN1C(=O)c1ccc(cc1)[*:1])C(N)=O
C=Cc1ccc(CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 C=Cc1ccc(cc1)[*:1] O=C1CSc2ccc(cc2N1C[*:1])S(=O)(=O)N1CCOCC1
C=Cc1ccc(CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 O=S(=O)(N1CCOCC1)[*:1] C=Cc1ccc(cc1)CN1C(=O)CSc2ccc(cc21)[*:1]
C=Cc1ccc(CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 C=Cc1ccc(cc1)C[*:1] O=C1CSc2ccc(cc2N1[*:1])S(=O)(=O)N1CCOCC1
CC1CC(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 CC1CC(C1)[*:1] O=C(Cc1csc(n1)-c1ccc2OCOc2c1)N[*:1]
COC(=O)c1c(F)cccc1NC(=O)[C@@H]1SCCc2ccccc21 COC(=O)[*:1] O=C(Nc1cccc(F)c1[*:1])[C@@H]1SCCc2ccccc21
Cc1cccc(CN(C(=O)c2cn(Cc3ccccc3)nn2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(C(=O)c1cn(Cc2ccccc2)nn1)[*:1]
Cc1cccc(CN(C(=O)c2cn(Cc3ccccc3)nn2)C2CC2)c1 Cc1cccc(c1)[*:1] O=C(c1cn(Cc2ccccc2)nn1)N(C[*:1])C1CC1
Cc1cccc(CN(C(=O)c2cn(Cc3ccccc3)nn2)C2CC2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)CN(C(=O)c1cn(nn1)[*:1])C1CC1
Cc1cccc(CN(C(=O)c2cn(Cc3ccccc3)nn2)C2CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CN(C(=O)c1cn(C[*:1])nn1)C1CC1
Cc1cccc(CN(C(=O)c2cn(Cc3ccccc3)nn2)C2CC2)c1 Cc1cccc(c1)C[*:1] O=C(c1cn(Cc2ccccc2)nn1)N(C1CC1)[*:1]
CC(C)(C)n1cc(CN2CCNC(=O)C[C@@H]2c2ccccc2)cn1 CC(C)(C)[*:1] O=C1C[C@H](c2ccccc2)N(CCN1)Cc1cnn(c1)[*:1]
CC(C)(C)n1cc(CN2CCNC(=O)C[C@@H]2c2ccccc2)cn1 c1ccc(cc1)[*:1] CC(C)(C)n1cc(cn1)CN1CCNC(=O)C[C@H]1[*:1]
CC(C)C[C@H](C)N(C)C(=O)COc1cccc(C(N)=O)c1 CC(C)C[C@H](C)[*:1] CN(C(=O)COc1cccc(c1)C(N)=O)[*:1]
CC(C)C[C@H](C)N(C)C(=O)COc1cccc(C(N)=O)c1 CC(C)[*:1] C[C@@H](C[*:1])N(C)C(=O)COc1cccc(c1)C(N)=O
CC(C)C[C@H](C)N(C)C(=O)COc1cccc(C(N)=O)c1 CC(C)C[*:1] C[C@H](N(C)C(=O)COc1cccc(c1)C(N)=O)[*:1]
CC(C)C[C@H](C)N(C)C(=O)COc1cccc(C(N)=O)c1 NC(=O)[*:1] CC(C)C[C@H](C)N(C)C(=O)COc1cccc(c1)[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H](C(=O)NC)c1ccc(Cl)cc1 CNC(=O)[*:1] CCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H](c1ccc(Cl)cc1)[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H](C(=O)NC)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H](C(=O)NC)[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@@H](C(=O)NC)c1ccc(Cl)cc1 CCO[*:1] CNC(=O)[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cc(Br)ccc1[*:1]
CN(CC1CCCC1)S(=O)(=O)c1ccc(CO)cc1F C1CCC(C1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(cc1F)CO
CN(CC1CCCC1)S(=O)(=O)c1ccc(CO)cc1F C1CCC(C1)C[*:1] CN(S(=O)(=O)c1ccc(cc1F)CO)[*:1]
O=C(Cc1ccc(F)cc1F)NCc1nc[nH]n1 c1nc(C[*:1])n[nH]1 O=C(Cc1ccc(F)cc1F)N[*:1]
Cc1nc2c(C)cccn2c(=O)c1CC[NH+]1CCCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] Cc1nc2c(C)cccn2c(=O)c1CC[NH+]1CCCc2c(C1)c1cc(F)ccc1n2[*:1]
CC[C@H](C)Sc1nnc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)s1 CC(C)(C)[*:1] CC[C@H](C)Sc1nnc(NC(=O)C2CCN(CC2)C(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
CC[C@H](C)Sc1nnc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)s1 CC[C@H](C)S[*:1] CC(C)(C)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)C(=O)Nc1nnc(s1)[*:1]
CC[C@H](C)Sc1nnc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)s1 CC[C@H](C)[*:1] CC(C)(C)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)C(=O)Nc1nnc(S[*:1])s1
Cc1c(NC(=O)C[NH+]2CCN(CCO)CC2)c(=O)n(-c2ccccc2)n1C OCC[*:1] Cc1c(NC(=O)C[NH+]2CCN(CC2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)C[NH+]2CCN(CCO)CC2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)C[NH+]2CCN(CCO)CC2)c(=O)n(n1C)[*:1]
C[C@H]1CC(c2nc(-c3ccncc3)no2)C[C@H](C)O1 c1cc(ccn1)[*:1] C[C@H]1CC(C[C@H](C)O1)c1nc(no1)[*:1]
CN(CCc1noc(-c2ccccc2Cl)n1)C(=O)C1CCCCC1 C1CCC(CC1)[*:1] CN(CCc1noc(n1)-c1ccccc1Cl)C(=O)[*:1]
CN(CCc1noc(-c2ccccc2Cl)n1)C(=O)C1CCCCC1 Clc1ccccc1[*:1] CN(CCc1noc(n1)[*:1])C(=O)C1CCCCC1
CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(C(=O)[C@@H]2CCCO2)CC1 c1cc(ccn1)[*:1] CS(=O)(=O)c1cnc(nc1C1CCN(CC1)C(=O)[C@@H]1CCCO1)[*:1]
CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(C(=O)[C@@H]2CCCO2)CC1 CS(=O)(=O)[*:1] O=C([C@@H]1CCCO1)N1CCC(CC1)c1nc(ncc1[*:1])-c1ccncc1
O=c1oc(=O)n(CCc2ccccc2)c2ccccc12 c1ccc(cc1)[*:1] O=c1oc(=O)n(CC[*:1])c2ccccc12
CCNC(=O)C[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 CCNC(=O)C[*:1] CS(=O)(=O)N1CCC[C@@H](C[NH2+][*:1])C1
CCNC(=O)C[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 CCNC(=O)[*:1] CS(=O)(=O)N1CCC[C@@H](C[NH2+]C[*:1])C1
CC[C@H]1CN(C(=O)CCCc2ccccn2)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@@H]1[*:1])C(=O)CCCc1ccccn1
CC[C@H]1CN(C(=O)CCCc2ccccn2)CC[C@H]1c1ccccc1 c1ccc(C[*:1])nc1 CC[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)CC[*:1]
CC[C@H]1CN(C(=O)CCCc2ccccn2)CC[C@H]1c1ccccc1 c1ccc(CC[*:1])nc1 CC[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)C[*:1]
CC[C@H]1CN(C(=O)CCCc2ccccn2)CC[C@H]1c1ccccc1 c1ccc(nc1)[*:1] CC[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)CCC[*:1]
Cc1ccsc1[C@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] Cc1ccsc1[C@H](C)[NH2+][C@@H](C)c1cn(nn1)[*:1]
Cc1ccsc1[C@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 Cc1ccsc1[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1cn(nn1)-c1ccccc1
O=C(Nc1ccnn1Cc1ccccn1)N[C@H]1COc2ccccc2C1 c1ccc(nc1)[*:1] O=C(Nc1ccnn1C[*:1])N[C@H]1COc2ccccc2C1
O=C(Nc1ccnn1Cc1ccccn1)N[C@H]1COc2ccccc2C1 c1ccc(C[*:1])nc1 O=C(Nc1ccnn1[*:1])N[C@H]1COc2ccccc2C1
CCc1ccc([C@@H](CO)NC(=O)c2cc([C@@H](C)CC)no2)cc1 CC[C@H](C)[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)c1cc(no1)[*:1]
Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 CC(C)[*:1] Cc1nn(c(C)c1S(=O)(=O)NC[C@@H]1C[C@@]12CCc1ccccc12)[*:1]
CCC[C@H]1C(=O)NCCN1Cc1ccc(OC)s1 CCC[*:1] COc1ccc(CN2CCNC(=O)[C@@H]2[*:1])s1
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 c1coc(c1)C[*:1] COC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 COC(=O)[*:1] O=C(NCc1ccco1)C1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 c1coc(c1)[*:1] COC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 O=C(NCc1ccco1)[*:1] COC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)[*:1]
Fc1ccc(/C=C/c2nn3c(-c4cccc(F)c4F)nnc3s2)cc1 Fc1ccc(cc1)[*:1] Fc1cccc(c1F)-c1nnc2sc(C=C[*:1])nn12
Fc1ccc(/C=C/c2nn3c(-c4cccc(F)c4F)nnc3s2)cc1 Fc1cccc(c1F)[*:1] Fc1ccc(/C=C/c2nn3c(nnc3s2)[*:1])cc1
COc1ccc(COC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)COC(=O)NNC(=O)[*:1]
CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(NC(N)=O)CC1 NC(=O)N[*:1] CC(C)(C)c1nn(cc1C[NH+]1CCC(CC1)[*:1])-c1ccccc1
CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(NC(N)=O)CC1 CC(C)(C)[*:1] NC(=O)NC1CC[NH+](CC1)Cc1cn(nc1[*:1])-c1ccccc1
CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(NC(N)=O)CC1 c1ccc(cc1)[*:1] CC(C)(C)c1nn(cc1C[NH+]1CCC(CC1)NC(N)=O)[*:1]
Cc1cc(C)cc(OCCC(=O)NCCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)OCCC(=O)NCC[*:1]
Cc1cc(C)cc(OCCC(=O)NCCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)OCCC(=O)NC[*:1]
Cc1ccc(C[C@H](C)NC(=O)N2CCC(C)(C)C2)s1 Cc1ccc(s1)[*:1] C[C@@H](C[*:1])NC(=O)N1CCC(C)(C)C1
CC(C)NC(=S)N/N=C/c1ccccc1Br CC(C)[*:1] S=C(N/N=C/c1ccccc1Br)N[*:1]
Cc1ncc([C@@H](C)N[C@@H](CC(C)C)C[NH+](C)C)s1 Cc1ncc(s1)[*:1] CC(C)C[C@@H](C[NH+](C)C)N[C@H](C)[*:1]
Cc1ncc([C@@H](C)N[C@@H](CC(C)C)C[NH+](C)C)s1 CC(C)C[*:1] Cc1ncc(s1)[C@@H](C)N[C@@H](C[NH+](C)C)[*:1]
Cc1ncc([C@@H](C)N[C@@H](CC(C)C)C[NH+](C)C)s1 CC(C)[*:1] Cc1ncc(s1)[C@@H](C)N[C@H](C[NH+](C)C)C[*:1]
Cc1cc([C@H]2OCCC[C@@H]2C[NH2+]C(C)(C)C)c(C)s1 CC(C)(C)[*:1] Cc1cc(c(C)s1)[C@H]1OCCC[C@@H]1C[NH2+][*:1]
O=C(c1ccc(Br)o1)N1CCS[C@H]2COCC[C@@H]21 Brc1ccc(o1)[*:1] O=C(N1CCS[C@H]2COCC[C@@H]21)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ncc(Cc2ccccc2C)s1)C(C)C Cc1ccccc1[*:1] CC(=O)N[C@@H](C(=O)Nc1ncc(C[*:1])s1)C(C)C
CC(=O)N[C@@H](C(=O)Nc1ncc(Cc2ccccc2C)s1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)Nc1ncc(Cc2ccccc2C)s1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ncc(Cc2ccccc2C)s1)C(C)C CC(=O)N[C@@H](C(C)C)[*:1] Cc1ccccc1Cc1cnc(NC(=O)[*:1])s1
CC(=O)N[C@@H](C(=O)Nc1ncc(Cc2ccccc2C)s1)C(C)C Cc1ccccc1C[*:1] CC(=O)N[C@@H](C(=O)Nc1ncc(s1)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)Nc1ncc(Cc2ccccc2C)s1)C(C)C CC(=O)N[*:1] Cc1ccccc1Cc1cnc(NC(=O)[C@@H](C(C)C)[*:1])s1
CCOC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C1 CCOC(=O)[*:1] O=C(C[C@@H]1CSc2nc3CCCCc3c(=O)n21)N1CCC[C@H](C1)[*:1]
Cc1nc2c(s1)[C@@H](N(C)Cc1noc(-c3ccsc3)n1)CCC2 c1cc(cs1)[*:1] Cc1nc2CCC[C@@H](c2s1)N(C)Cc1noc(n1)[*:1]
CCC1(CNC(=O)N2C[C@H](C)CC[C@@H]2C)CC1 CCC1(CC1)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)NC[*:1]
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1nc2ccccc2n1C(C)C CCN(CC)C(=O)[*:1] CC(C)n1c(CN2C[C@H]([NH3+])C[C@H]2[*:1])nc2ccccc21
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1nc2ccccc2n1C(C)C CC(C)[*:1] CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1nc2ccccc2n1[*:1]
Cc1ccc([N+](=O)[O-])c(N(Cc2cccnc2)C[C@@H]2CCCO2)n1 c1cncc(c1)C[*:1] Cc1ccc(c(n1)N(C[C@@H]1CCCO1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N(Cc2cccnc2)C[C@@H]2CCCO2)n1 c1cncc(c1)[*:1] Cc1ccc(c(n1)N(C[C@@H]1CCCO1)C[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N(Cc2cccnc2)C[C@@H]2CCCO2)n1 O=[N+]([O-])[*:1] Cc1ccc(c(n1)N(Cc1cccnc1)C[C@@H]1CCCO1)[*:1]
Cc1cc([C@@H]([NH3+])c2ccco2)c(F)cc1F c1coc(c1)[*:1] Cc1cc(c(F)cc1F)[C@@H]([NH3+])[*:1]
COc1ccc(C(=O)N[C@H]2C[C@@H](Cc3cc(C[NH+](C)C)on3)C2(C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)Cc1cc(C[C@@H]2C[C@H](NC(=O)[*:1])C2(C)C)no1
Cc1ccc(N2C(=O)C[C@@H](N3CCc4ccccc4C3)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C1C[C@H](C(=O)N1[*:1])N1CCc2ccccc2C1
CC[C@@H](Cc1nc(C)cs1)[C@H](C)O C[C@H](O)[*:1] CC[C@@H](Cc1nc(C)cs1)[*:1]
Cc1nc(-c2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)cc2)cs1 Cc1nc(cs1)[*:1] C[C@@H]1[C@H](CCC[C@H]1C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)Cc2nccs2)c1 c1csc(C[*:1])n1 Cc1ccc([N-]S(C)(=O)=O)c(c1)C(=O)N(C)[*:1]
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)Cc2nccs2)c1 c1csc(n1)[*:1] Cc1ccc([N-]S(C)(=O)=O)c(c1)C(=O)N(C)C[*:1]
N/C(=N/O)c1cncc(N2CCc3ccccc3C2)n1 N/C(=N/O)[*:1] c1ccc2CN(CCc2c1)c1cncc(n1)[*:1]
COc1ccc(C)cc1C(=O)Cn1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccc(C)cc1C(=O)Cn1nnc(n1)[*:1]
Cc1nc(CC(C)C)sc1C(=O)NCC1([O-])CCC1 CC(C)C[*:1] Cc1nc(sc1C(=O)NCC1([O-])CCC1)[*:1]
Cc1nc(CC(C)C)sc1C(=O)NCC1([O-])CCC1 CC(C)[*:1] Cc1nc(C[*:1])sc1C(=O)NCC1([O-])CCC1
Cc1nc(CC(C)C)sc1C(=O)NCC1([O-])CCC1 [O-]C1(CCC1)C[*:1] Cc1nc(CC(C)C)sc1C(=O)N[*:1]
Cc1nc(CC(C)C)sc1C(=O)NCC1([O-])CCC1 [O-]C1(CCC1)[*:1] Cc1nc(CC(C)C)sc1C(=O)NC[*:1]
O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 Clc1ccc(C=C[*:1])cc1 O=C(NCc1ccccc1)C1CCN(CC1)C(=O)[*:1]
O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)/C=C/c1ccc(Cl)cc1
O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 c1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)/C=C/c1ccc(Cl)cc1
O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(NCc1ccccc1)C1CCN(CC1)C(=O)C=C[*:1]
NC(=S)N/N=C\Cc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] NC(=S)N/N=C\Cc1nnnn1[*:1]
NC(=S)N/N=C\Cc1nnnn1-c1ccccc1 NC(=S)NN=C[*:1] c1ccc(cc1)-n1nnnc1C[*:1]
Cc1cc(C)c(C(=O)N2CCCN(c3cccnn3)CC2)c(C)c1 c1cnnc(c1)[*:1] Cc1cc(C)c(C(=O)N2CCCN(CC2)[*:1])c(C)c1
O=C(NC[C@H]1CCCO1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)c1ccc(cc1)-c1nnc(o1)[*:1]
Cc1c(F)cccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1c(F)cccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 Cc1c(F)cccc1[*:1] O=C(N[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
COc1ccc(OC)c(S(=O)(=O)N2CCN(Cn3cc(-c4ccccc4)n(C)c3=S)CC2)c1 COc1ccc(OC)c(c1)[*:1] Cn1c(cn(CN2CCN(CC2)S(=O)(=O)[*:1])c1=S)-c1ccccc1
COc1ccc(OC)c(S(=O)(=O)N2CCN(Cn3cc(-c4ccccc4)n(C)c3=S)CC2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N1CCN(CC1)Cn1cc(n(C)c1=S)[*:1]
COCCN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1=O O=[N+]([O-])[*:1] COCCN1CCN(CC1=O)C(=O)c1cc(F)ccc1[*:1]
COCCN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)c1cc(F)ccc1[N+](=O)[O-]
COCCN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1=O COCC[*:1] O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN(C(=O)C1)[*:1]
c1ccc(CCc2noc(C[NH+](C3CCCC3)C3CC3)n2)cc1 C1CC1[*:1] c1ccc(cc1)CCc1noc(C[NH+](C2CCCC2)[*:1])n1
c1ccc(CCc2noc(C[NH+](C3CCCC3)C3CC3)n2)cc1 c1ccc(cc1)[*:1] C1CCC(C1)[NH+](Cc1nc(CC[*:1])no1)C1CC1
c1ccc(CCc2noc(C[NH+](C3CCCC3)C3CC3)n2)cc1 c1ccc(cc1)C[*:1] C1CCC(C1)[NH+](Cc1nc(C[*:1])no1)C1CC1
c1ccc(CCc2noc(C[NH+](C3CCCC3)C3CC3)n2)cc1 C1CCC(C1)[*:1] c1ccc(cc1)CCc1noc(C[NH+](C2CC2)[*:1])n1
CC(C)Cc1cc(-c2nccn2-c2ccc3c(c2)oc(=O)n3C)n[nH]1 CC(C)[*:1] Cn1c(=O)oc2cc(ccc21)-n1ccnc1-c1cc(C[*:1])[nH]n1
CC(C)Cc1cc(-c2nccn2-c2ccc3c(c2)oc(=O)n3C)n[nH]1 CC(C)C[*:1] Cn1c(=O)oc2cc(ccc21)-n1ccnc1-c1cc([nH]n1)[*:1]
CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC(Cc2ccccc2)CC1 Fc1ccc(cc1)[*:1] CCOc1cn(nc1C(=O)N1CCC(CC1)Cc1ccccc1)[*:1]
CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCOc1cn(nc1C(=O)N1CCC(CC1)[*:1])-c1ccc(F)cc1
CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCOc1cn(nc1C(=O)N1CCC(CC1)C[*:1])-c1ccc(F)cc1
CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC(Cc2ccccc2)CC1 CCO[*:1] O=C(c1nn(cc1[*:1])-c1ccc(F)cc1)N1CCC(CC1)Cc1ccccc1
NC(=O)c1ccc(N2CCN(c3ccccc3Cl)CC2)nn1 NC(=O)[*:1] Clc1ccccc1N1CCN(CC1)c1ccc(nn1)[*:1]
NC(=O)c1ccc(N2CCN(c3ccccc3Cl)CC2)nn1 Clc1ccccc1[*:1] NC(=O)c1ccc(nn1)N1CCN(CC1)[*:1]
C[NH+](CC(=O)NCC(F)(F)F)Cc1ccccc1N1CCOCC1 FC(F)(F)C[*:1] C[NH+](CC(=O)N[*:1])Cc1ccccc1N1CCOCC1
C[NH+](CC(=O)NCC(F)(F)F)Cc1ccccc1N1CCOCC1 FC(F)(F)[*:1] C[NH+](CC(=O)NC[*:1])Cc1ccccc1N1CCOCC1
C[NH+](CC(=O)NCC(F)(F)F)Cc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] C[NH+](CC(=O)NCC(F)(F)F)Cc1ccccc1[*:1]
C[NH+](CC(=O)NCC(F)(F)F)Cc1ccccc1N1CCOCC1 O=C(NCC(F)(F)F)[*:1] C[NH+](Cc1ccccc1N1CCOCC1)C[*:1]
COc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc3c(c2)CCO3)cc1 COc1ccc(cc1)[*:1] C[C@@H](N(C)S(=O)(=O)c1ccc2OCCc2c1)[*:1]
Cc1ccc(CCNC(=O)c2cc(NC(=O)C3CCCC3)n(C)n2)o1 Cc1ccc(o1)[*:1] Cn1nc(cc1NC(=O)C1CCCC1)C(=O)NCC[*:1]
Cc1ccc(CCNC(=O)c2cc(NC(=O)C3CCCC3)n(C)n2)o1 Cc1ccc(CC[*:1])o1 Cn1nc(cc1NC(=O)C1CCCC1)C(=O)N[*:1]
Cc1ccc(CCNC(=O)c2cc(NC(=O)C3CCCC3)n(C)n2)o1 O=C(N[*:1])C1CCCC1 Cc1ccc(CCNC(=O)c2cc(n(C)n2)[*:1])o1
Cc1ccc(CCNC(=O)c2cc(NC(=O)C3CCCC3)n(C)n2)o1 C1CCC(C1)[*:1] Cc1ccc(CCNC(=O)c2cc(NC(=O)[*:1])n(C)n2)o1
Cc1ccc(CCNC(=O)c2cc(NC(=O)C3CCCC3)n(C)n2)o1 Cc1ccc(C[*:1])o1 Cn1nc(cc1NC(=O)C1CCCC1)C(=O)NC[*:1]
COC(=O)CN1CCc2nc(NC(=O)c3ccccn3)sc2C1 c1ccc(nc1)[*:1] COC(=O)CN1CCc2nc(NC(=O)[*:1])sc2C1
COC(=O)CN1CCc2nc(NC(=O)c3ccccn3)sc2C1 COC(=O)C[*:1] O=C(Nc1nc2CCN(Cc2s1)[*:1])c1ccccn1
COC(=O)CN1CCc2nc(NC(=O)c3ccccn3)sc2C1 COC(=O)[*:1] O=C(Nc1nc2CCN(Cc2s1)C[*:1])c1ccccn1
CCOc1cccc([C@H](C)NC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1 CCOc1cccc(c1)[*:1] C[C@H](NC(=O)Nc1cccc(c1)C(=O)NC(C)(C)C)[*:1]
CCOc1cccc([C@H](C)NC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1 CCO[*:1] C[C@H](NC(=O)Nc1cccc(c1)C(=O)NC(C)(C)C)c1cccc(c1)[*:1]
CCOc1cccc([C@H](C)NC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1 CC(C)(C)NC(=O)[*:1] CCOc1cccc(c1)[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
CCOc1cccc([C@H](C)NC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1 CC(C)(C)[*:1] CCOc1cccc(c1)[C@H](C)NC(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC(F)(F)F)cc1 CC(C)NS(=O)(=O)[*:1] O=C(CCC(F)(F)F)Nc1ccc(cc1)[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)CC[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC(F)(F)F)cc1 FC(F)(F)CC[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC(F)(F)F)cc1 CC(C)[*:1] O=C(CCC(F)(F)F)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC(F)(F)F)cc1 FC(F)(F)C[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1ccc(C)c(Cl)c1 COc1cccc(c1)[*:1] COCCn1c(cnc1NC(=O)Nc1ccc(C)c(Cl)c1)[*:1]
COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1ccc(C)c(Cl)c1 COC[*:1] COc1cccc(c1)-c1cnc(NC(=O)Nc2ccc(C)c(Cl)c2)n1C[*:1]
COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1ccc(C)c(Cl)c1 Cc1ccc(cc1Cl)[*:1] COCCn1c(cnc1NC(=O)N[*:1])-c1cccc(c1)OC
COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1ccc(C)c(Cl)c1 COCC[*:1] COc1cccc(c1)-c1cnc(NC(=O)Nc2ccc(C)c(Cl)c2)n1[*:1]
COCCn1ccc2ccc(NC(=O)C(=O)NCc3ccccc3C)cc21 Cc1ccccc1[*:1] COCCn1ccc2ccc(cc21)NC(=O)C(=O)NC[*:1]
COCCn1ccc2ccc(NC(=O)C(=O)NCc3ccccc3C)cc21 COCC[*:1] Cc1ccccc1CNC(=O)C(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)C(=O)NCc3ccccc3C)cc21 COC[*:1] Cc1ccccc1CNC(=O)C(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)C(=O)NCc3ccccc3C)cc21 Cc1ccccc1C[*:1] COCCn1ccc2ccc(cc21)NC(=O)C(=O)N[*:1]
O[C@@H](c1ccccc1)c1ccc2c3c(cccc13)CC2 c1ccc(cc1)[*:1] O[C@@H](c1ccc2CCc3cccc1c32)[*:1]
Cc1cccc(N(C)C(=O)Cn2cnc3c(C(N)=O)nsc3c2=O)c1 NC(=O)[*:1] Cc1cccc(c1)N(C)C(=O)Cn1cnc2c(nsc2c1=O)[*:1]
Cc1cccc(N(C)C(=O)Cn2cnc3c(C(N)=O)nsc3c2=O)c1 Cc1cccc(c1)[*:1] CN(C(=O)Cn1cnc2c(nsc2c1=O)C(N)=O)[*:1]
COc1ccccc1O[C@H](C)CNC(=O)N[C@H](C)c1ncc(C)s1 Cc1cnc(s1)[*:1] COc1ccccc1O[C@H](C)CNC(=O)N[C@H](C)[*:1]
COc1ccccc1O[C@H](C)CNC(=O)N[C@H](C)c1ncc(C)s1 COc1ccccc1[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NC[C@@H](C)O[*:1]
Cc1csc([C@H](C)NC(=O)N(C)Cc2ccc(F)c(F)c2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)N(C)Cc1ccc(F)c(F)c1)[*:1]
Cc1nsc(N2CCN(CCC(=O)NC3CCCCC3)CC2)n1 Cc1nsc(n1)[*:1] O=C(CCN1CCN(CC1)[*:1])NC1CCCCC1
Cc1nsc(N2CCN(CCC(=O)NC3CCCCC3)CC2)n1 C1CCC(CC1)[*:1] Cc1nsc(n1)N1CCN(CCC(=O)N[*:1])CC1
O=C([O-])c1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1Cl O=C([O-])[*:1] O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)c(c1)[*:1]
O=C([O-])c1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1Cl O=C([O-])[*:1] O=C([O-])c1cc(ccc1Cl)NC(=O)[C@@H]1CC=CC[C@@H]1[*:1]
Cc1noc(C)c1[C@H](C)CC(=O)OCc1ccccc1N1CCCCC1 Cc1noc(C)c1[*:1] C[C@H](CC(=O)OCc1ccccc1N1CCCCC1)[*:1]
Cc1noc(C)c1[C@H](C)CC(=O)OCc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] Cc1noc(C)c1[C@H](C)CC(=O)OCc1ccccc1[*:1]
Cc1ccccc1NC(=O)COC(=O)c1cnn2cc(Br)cnc12 Cc1ccccc1[*:1] O=C(COC(=O)c1cnn2cc(Br)cnc12)N[*:1]
CC[C@H](C)C(=O)N[C@@H](C)c1c(C)noc1C CC[C@H](C)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)[*:1]
CS(=O)(=O)[N-]c1cc([N-]S(C)(=O)=O)cc(C(=O)[O-])c1 CS(=O)(=O)[N-][*:1] CS(=O)(=O)[N-]c1cc(cc(c1)[*:1])C(=O)[O-]
CS(=O)(=O)[N-]c1cc([N-]S(C)(=O)=O)cc(C(=O)[O-])c1 O=C([O-])[*:1] CS(=O)(=O)[N-]c1cc(cc(c1)[*:1])[N-]S(C)(=O)=O
CCOc1cccc(NCc2cn[nH]c2N)n1 CCO[*:1] Nc1[nH]ncc1CNc1cccc(n1)[*:1]
Cc1cc(C)c2s/c(=N/C(=O)Cc3ccc(S(C)(=O)=O)cc3)n(C)c2c1 CS(=O)(=O)[*:1] Cc1cc(C)c2s/c(=N/C(=O)Cc3ccc(cc3)[*:1])n(C)c2c1
Cc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2cccc3nsnc23)cc1 Cc1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1cccc2nsnc12)CC(=O)N[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)C[NH+]1CCc2sccc2C1 CC(C)[*:1] O=C(C[NH+]1CCc2sccc2C1)NCCn1c(n[nH]c1=S)[*:1]
C[C@@H](CN1CCOCC1)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 CC(C)(C)[*:1] C[C@@H](CN1CCOCC1)[NH+]1CCN(CC1)Cc1csc(n1)[*:1]
C[C@@H](CN1CCOCC1)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 C1CN(CCO1)[*:1] C[C@@H](C[*:1])[NH+]1CCN(CC1)Cc1csc(n1)C(C)(C)C
C[C@@H](CN1CCOCC1)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 C1CN(CCO1)C[*:1] C[C@@H]([NH+]1CCN(CC1)Cc1csc(n1)C(C)(C)C)[*:1]
O=C(NC[C@H](c1ccco1)N1CCOCC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 C1CN(CCO1)[*:1] O=C(NC[C@H](c1ccco1)[*:1])C(=O)Nc1cccc(c1)N1CCCCC1=O
O=C(NC[C@H](c1ccco1)N1CCOCC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 O=C1CCCCN1[*:1] O=C(NC[C@H](c1ccco1)N1CCOCC1)C(=O)Nc1cccc(c1)[*:1]
O=C(NC[C@H](c1ccco1)N1CCOCC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 c1coc(c1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])C(=O)Nc1cccc(c1)N1CCCCC1=O
O=C(COc1ccc2c(c1)OCCO2)NCC1CCCCC1 C1CCC(CC1)C[*:1] O=C(COc1ccc2OCCOc2c1)N[*:1]
O=C(COc1ccc2c(c1)OCCO2)NCC1CCCCC1 C1CCC(CC1)[*:1] O=C(COc1ccc2OCCOc2c1)NC[*:1]
COCc1nn2c(ncc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccccc1 O=C([O-])[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)CCC[*:1])c1-c1ccccc1
COCc1nn2c(ncc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccccc1 c1ccc(cc1)[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)CCCC(=O)[O-])c1[*:1]
COCc1nn2c(ncc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccccc1 O=C([O-])CCC[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)[*:1])c1-c1ccccc1
COCc1nn2c(ncc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccccc1 COC[*:1] O=C([O-])CCCn1ccc2c(cnc3c(-c4ccccc4)c(nn32)[*:1])c1=O
COCc1nn2c(ncc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccccc1 O=C([O-])C[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)CC[*:1])c1-c1ccccc1
COCc1nn2c(ncc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccccc1 O=C([O-])CC[*:1] COCc1nn2c(ncc3c(=O)n(ccc32)C[*:1])c1-c1ccccc1
Cc1nc2ccc(NCC(=O)NCc3ccco3)cc2s1 c1coc(c1)[*:1] Cc1nc2ccc(cc2s1)NCC(=O)NC[*:1]
Cc1nc2ccc(NCC(=O)NCc3ccco3)cc2s1 c1coc(c1)C[*:1] Cc1nc2ccc(cc2s1)NCC(=O)N[*:1]
C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2nnc(-c3ccc(Br)cc3)o2)C1=O c1cc2OCCOc2cc1[*:1] C[C@@]1(NC(=O)N(Cc2nnc(o2)-c2ccc(Br)cc2)C1=O)[*:1]
C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2nnc(-c3ccc(Br)cc3)o2)C1=O Brc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(Cc2nnc(o2)[*:1])C1=O)c1ccc2OCCOc2c1
CCCOc1cccc(C(=O)Oc2ccccc2)c1 CCC[*:1] O=C(Oc1ccccc1)c1cccc(c1)O[*:1]
CCCOc1cccc(C(=O)Oc2ccccc2)c1 c1ccc(cc1)[*:1] CCCOc1cccc(c1)C(=O)O[*:1]
CCCOc1cccc(C(=O)Oc2ccccc2)c1 CCCO[*:1] O=C(Oc1ccccc1)c1cccc(c1)[*:1]
O=C(NN1Cc2ccccc2C1)c1csc([C@H]2CCCO2)n1 C1CO[C@H](C1)[*:1] O=C(NN1Cc2ccccc2C1)c1csc(n1)[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](N1C[C@H](O)c1ccccc1)[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@H](O)c1ccccc1 O[C@@H](C[*:1])c1ccccc1 O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1C[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@H](O)[*:1]
O=C(OCCc1c[nH]c2ccccc12)c1occc1Br Brc1ccoc1[*:1] O=C(OCCc1c[nH]c2ccccc12)[*:1]
COc1cccc([C@H](CO)NC(=O)C[C@@H]2CCCc3cc(OC)ccc32)c1 COc1cccc(c1)[*:1] COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@@H](CO)[*:1]
Cc1[nH]ccc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 Cc1[nH]ccc1[*:1] C[C@@H]1CN(CCCCNC(=O)[*:1])C[C@@H](C)O1
CCC[C@@H](C)[C@@H](Cc1ncccc1C)[NH2+]CC CCC[*:1] CC[NH2+][C@H](Cc1ncccc1C)[C@H](C)[*:1]
CCC[C@@H](C)[C@@H](Cc1ncccc1C)[NH2+]CC CCC[C@@H](C)[*:1] CC[NH2+][C@H](Cc1ncccc1C)[*:1]
Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1c(Cl)cnn1C Cc1noc(C)c1[*:1] Cn1ncc(Cl)c1C(=O)N1CCC[C@H]1[*:1]
Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1c(Cl)cnn1C Cn1ncc(Cl)c1[*:1] Cc1noc(C)c1[C@@H]1CCCN1C(=O)[*:1]
Cc1cc(C)n(C[C@H](C)C[NH2+]Cc2cnn(-c3ccccc3)c2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(C[C@H](C)C[NH2+]Cc2cnn(c2)[*:1])n1
Cc1cc(C)n(C[C@H](C)C[NH2+]Cc2cnn(-c3ccccc3)c2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](C[NH2+]Cc1cnn(c1)-c1ccccc1)[*:1]
Cc1cc(C)n(C[C@H](C)C[NH2+]Cc2cnn(-c3ccccc3)c2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](C[NH2+]Cc1cnn(c1)-c1ccccc1)C[*:1]
CCCC1=NN[C@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 CCC[*:1] O=C([C@@H]1CC(=NN1)[*:1])N1CCC(CC1)n1c(=O)[nH]c2ccccc21
CC(C)C(=O)N1CCC[C@H]1C(=O)Oc1cccc(N2CCCC2=O)c1 CC(C)[*:1] O=C(Oc1cccc(c1)N1CCCC1=O)[C@@H]1CCCN1C(=O)[*:1]
CC(C)C(=O)N1CCC[C@H]1C(=O)Oc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] CC(C)C(=O)N1CCC[C@H]1C(=O)Oc1cccc(c1)[*:1]
[O-]/C(=N\c1nc(C2CCCCC2)n[nH]1)N1CCCC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] [O-]/C(=N\c1nc(n[nH]1)C1CCCCC1)N1CCCC[C@H]1[*:1]
[O-]/C(=N\c1nc(C2CCCCC2)n[nH]1)N1CCCC[C@@H]1c1ccccc1 C1CCC(CC1)[*:1] [O-]/C(=N\c1nc(n[nH]1)[*:1])N1CCCC[C@@H]1c1ccccc1
O=C1N[C@H](c2cccc(OCc3ccccc3F)c2)N2CCOC[C@@H]12 Fc1ccccc1[*:1] O=C1N[C@H](c2cccc(c2)OC[*:1])N2CCOC[C@@H]12
O=C1N[C@H](c2cccc(OCc3ccccc3F)c2)N2CCOC[C@@H]12 Fc1ccccc1C[*:1] O=C1N[C@H](c2cccc(c2)O[*:1])N2CCOC[C@@H]12
CCO[C@@H]1C[C@@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C12CCCCC2 CCO[*:1] O=C(N[C@@H]1C[C@H](C12CCCCC2)[*:1])c1cnc(s1)[C@@H]1CCCO1
CCO[C@@H]1C[C@@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C12CCCCC2 C1CO[C@@H](C1)[*:1] CCO[C@@H]1C[C@@H](NC(=O)c2cnc(s2)[*:1])C12CCCCC2
C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)n1cccn1 C[C@H](n1cccn1)[*:1] O=C(Nc1cccc(c1)-c1nnn[n-]1)[*:1]
C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)Nc1cccc(c1)-c1nnn[n-]1)[*:1]
CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccc(C)cc3)C[C@H]21 Cc1ccc(cc1)[*:1] CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(C[C@H]21)[*:1]
CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccc(C)cc3)C[C@H]21 CCO[*:1] Cc1ccc(cc1)C1C[C@@H]2c3cccc(c3O[C@@H](c3ccco3)N2N=1)[*:1]
CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccc(C)cc3)C[C@H]21 c1coc(c1)[*:1] CCOc1cccc2c1O[C@@H](N1N=C(C[C@H]21)c1ccc(C)cc1)[*:1]
COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 O=S(=O)(Nc1nccs1)[*:1] COc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] COc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 COc1ccc(Cl)cc1[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)[*:1]
CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(F)ccc3F)N2C1=O CC(C)[*:1] O=C(CSC1=Nc2ccccc2C2=N[C@H](C(=O)N12)[*:1])Nc1cc(F)ccc1F
CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(F)ccc3F)N2C1=O Fc1ccc(F)c(c1)[*:1] CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N[*:1])N2C1=O
CCCc1nsc(N2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 O=C([O-])[*:1] CCCc1nsc(n1)N1CC[C@@H]([C@@H]1C)[*:1]
CCCc1nsc(N2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 CCC[*:1] C[C@H]1[C@@H](CCN1c1nc(ns1)[*:1])C(=O)[O-]
C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1ccccc1C(F)(F)F c1ccc(cc1)C[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1ccccc1C(F)(F)F
C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1ccccc1C(F)(F)F c1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])S(=O)(=O)Cc1ccccc1C(F)(F)F
C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1ccccc1[*:1]
O=C(COC(=O)Cc1ccc(Br)cc1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(COC(=O)Cc1ccc(Br)cc1)NC[*:1]
O=C(COC(=O)Cc1ccc(Br)cc1)NCc1ccc(Cl)cc1 Brc1ccc(cc1)[*:1] O=C(COC(=O)C[*:1])NCc1ccc(Cl)cc1
COc1ccc(C)cc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 COc1ccc(C)cc1[*:1] O=C(N[*:1])c1cccc(c1)CN1C(=O)c2ccccc2C1=O
COC(=O)c1ncn(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 O=[N+]([O-])[*:1] COC(=O)c1ncn(Cc2coc(n2)-c2ccc(cc2)[*:1])n1
COC(=O)c1ncn(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 COC(=O)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)Cn1cnc(n1)[*:1]
Cc1cccnc1NS(=O)(=O)c1cc(C)c(C)c(C)c1C Cc1cccnc1[*:1] Cc1cc(c(C)c(C)c1C)S(=O)(=O)N[*:1]
CCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CCOc1ccccc1NS(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 CCO[*:1] O=C([O-])c1ccc(cc1)S(=O)(=O)Nc1ccccc1[*:1]
Cc1ccc(-c2nc(COc3ccccc3C#N)cs2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccccc1OCc1csc(n1)[*:1]
CCNC(=O)CNC(=O)c1cn(C)nc1-c1ccc(F)cc1F CCNC(=O)[*:1] Cn1cc(C(=O)NC[*:1])c(n1)-c1ccc(F)cc1F
CCNC(=O)CNC(=O)c1cn(C)nc1-c1ccc(F)cc1F CCNC(=O)C[*:1] Cn1cc(C(=O)N[*:1])c(n1)-c1ccc(F)cc1F
O=C(NCc1nc(-c2ccccc2)n[nH]1)C1CCCC1 C1CCC(C1)[*:1] O=C(NCc1nc(n[nH]1)-c1ccccc1)[*:1]
O=C(NCc1nc(-c2ccccc2)n[nH]1)C1CCCC1 c1ccc(cc1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])C1CCCC1
O=C(Nc1nnc(-c2ccc(Br)s2)o1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1ccc(Br)s1)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1nnc(-c2ccc(Br)s2)o1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 Brc1ccc(s1)[*:1] O=C(Nc1nnc(o1)[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)cc1
COc1ccc([C@H]([NH3+])c2n[nH]c(-c3ccc(OC)c(OC)c3)n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nc(n[nH]1)[C@@H]([NH3+])[*:1]
COc1cc(F)cc(CNC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] COc1cc(F)cc(c1)CNC(=O)N1CCN(CC1)[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(COc2ccccc2Cl)n(C(C)C)c1=S CC(C)[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(COc2ccccc2Cl)n(c1=S)[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(COc2ccccc2Cl)n(C(C)C)c1=S Clc1ccccc1O[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(C[*:1])n(c1=S)C(C)C
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(COc2ccccc2Cl)n(C(C)C)c1=S Clc1ccccc1OC[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(n(c1=S)C(C)C)[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(COc2ccccc2Cl)n(C(C)C)c1=S CC(=O)N[*:1] CC(C)n1c(COc2ccccc2Cl)nn(c1=S)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(COc2ccccc2Cl)n(C(C)C)c1=S Clc1ccccc1[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(CO[*:1])n(c1=S)C(C)C
CCc1ccc(N2C(=O)C[C@H](c3ccc(OC)c(OC)c3OC)C3=C2CCCC3=O)cc1 CCc1ccc(cc1)[*:1] COc1ccc(c(OC)c1OC)[C@H]1CC(=O)N(C2CCCC(=O)C=21)[*:1]
CC(C)[NH2+][C@@]1(CO)CCC[C@@H](Sc2ccncn2)C1 CC(C)[*:1] OC[C@@]1(CCC[C@H](C1)Sc1ccncn1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(CO)CCC[C@@H](Sc2ccncn2)C1 c1cc(ncn1)[*:1] CC(C)[NH2+][C@@]1(CO)CCC[C@H](C1)S[*:1]
CCC[NH2+][C@@H](C)c1ccccc1NC(C)C CC(C)[*:1] CCC[NH2+][C@@H](C)c1ccccc1N[*:1]
CCC[NH2+][C@@H](C)c1ccccc1NC(C)C CC(C)N[*:1] CCC[NH2+][C@@H](C)c1ccccc1[*:1]
CCC[NH2+][C@@H](C)c1ccccc1NC(C)C CCC[*:1] CC(C)Nc1ccccc1[C@H](C)[NH2+][*:1]
CN1C(=O)[C@H]2CC=CC[C@]2(C(=O)[O-])[C@H]1c1ccccc1 O=C([O-])[*:1] CN1C(=O)[C@H]2CC=CC[C@@]2([C@H]1c1ccccc1)[*:1]
CN1C(=O)[C@H]2CC=CC[C@]2(C(=O)[O-])[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)[C@H]2CC=CC[C@]2(C(=O)[O-])[C@@H]1[*:1]
CCN1CCn2cc(C(=O)NCc3ccccc3F)[nH+]c2C1 Fc1ccccc1[*:1] CCN1CCn2cc([nH+]c2C1)C(=O)NC[*:1]
CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccc(Cl)cc2s1 c1cc2OCCOc2cc1[*:1] CC[NH+](CC)CCN(C(=O)[*:1])c1nc2ccc(Cl)cc2s1
CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccc(Cl)cc2s1 Clc1ccc2nc(sc2c1)[*:1] CC[NH+](CC)CCN(C(=O)c1ccc2OCCOc2c1)[*:1]
COc1ccc([C@H](NC(=O)CC[C@H]2CC[C@H](C)O2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)CC[C@H]1CC[C@H](C)O1)[*:1]
COc1ccc([C@H](NC(=O)CC[C@H]2CC[C@H](C)O2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@H]1CC[C@H](CCC(=O)N[C@H](C2CCOCC2)[*:1])O1
CCOCC1(CNc2nc(C)nc3c2c(C)nn3C)CCC1 CCOC[*:1] Cc1nc(NCC2(CCC2)[*:1])c2c(C)nn(C)c2n1
CCOCC1(CNc2nc(C)nc3c2c(C)nn3C)CCC1 CCO[*:1] Cc1nc(NCC2(CCC2)C[*:1])c2c(C)nn(C)c2n1
O=C1CCCN1c1ccn(-c2ccc(S(=O)(=O)[O-])cc2)n1 O=C1CCCN1[*:1] O=S(=O)([O-])c1ccc(cc1)-n1ccc(n1)[*:1]
O=C1CCCN1c1ccn(-c2ccc(S(=O)(=O)[O-])cc2)n1 O=S(=O)([O-])[*:1] O=C1CCCN1c1ccn(n1)-c1ccc(cc1)[*:1]
COc1cccc(C(=O)N(C)Cc2csc([C@@H](C)OC)n2)n1 CO[C@H](C)[*:1] COc1cccc(n1)C(=O)N(C)Cc1csc(n1)[*:1]
CCc1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2Cl)[nH]n1 NS(=O)(=O)[*:1] CCc1cc(NC(=O)c2cc(ccc2Cl)[*:1])[nH]n1
CCc1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2Cl)[nH]n1 CCc1cc([nH]n1)[*:1] NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccnc2)C(C)C)cc1 CC(C)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[*:1]
CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccnc2)C(C)C)cc1 CC(C)[*:1] CC(C)N(Cc1cccnc1)S(=O)(=O)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccnc2)C(C)C)cc1 c1cncc(c1)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)N(C[*:1])C(C)C
CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccnc2)C(C)C)cc1 CC(C)O[*:1] CC(C)N(Cc1cccnc1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(S(=O)(=O)N(Cc2cccnc2)C(C)C)cc1 c1cncc(c1)C[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)N(C(C)C)[*:1]
Cn1ncc2c(NCCC3=CCCCC3)c(C(=O)[O-])c[nH+]c21 O=C([O-])[*:1] Cn1ncc2c(NCCC3=CCCCC3)c(c[nH+]c21)[*:1]
CN(Cc1cccs1)C(=O)COc1ncnc2sc3c(c12)CCC3 c1csc(c1)C[*:1] CN(C(=O)COc1ncnc2sc3CCCc3c12)[*:1]
CN(Cc1cccs1)C(=O)COc1ncnc2sc3c(c12)CCC3 c1csc(c1)[*:1] CN(C[*:1])C(=O)COc1ncnc2sc3CCCc3c12
C[NH+]1CCC(N(Cc2ccccc2F)C(=O)CC(F)(F)F)CC1 Fc1ccccc1[*:1] C[NH+]1CCC(CC1)N(C[*:1])C(=O)CC(F)(F)F
C[NH+]1CCC(N(Cc2ccccc2F)C(=O)CC(F)(F)F)CC1 FC(F)(F)C[*:1] C[NH+]1CCC(CC1)N(Cc1ccccc1F)C(=O)[*:1]
C[NH+]1CCC(N(Cc2ccccc2F)C(=O)CC(F)(F)F)CC1 FC(F)(F)[*:1] C[NH+]1CCC(CC1)N(Cc1ccccc1F)C(=O)C[*:1]
CCN(CC(F)(F)F)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C C1CC1[*:1] CCN(CC(F)(F)F)C(=O)c1sc2nc(nc(C)c2c1C)[*:1]
CCN(CC(F)(F)F)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C FC(F)(F)[*:1] CCN(C[*:1])C(=O)c1sc2nc(nc(C)c2c1C)C1CC1
CCN(CC(F)(F)F)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C FC(F)(F)C[*:1] CCN(C(=O)c1sc2nc(nc(C)c2c1C)C1CC1)[*:1]
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2ccccc2)o1 c1ccc(cc1)[*:1] COc1cc(ccc1-c1ccc(/C=N\NC(=O)[*:1])o1)[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2ccccc2)o1 O=[N+]([O-])[*:1] COc1cc(ccc1-c1ccc(/C=N\NC(=O)c2ccccc2)o1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 c1csc(c1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)[C@H](C)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 CCNS(=O)(=O)[*:1] C[C@@H](C(=O)N1CC[C@H](C1)[*:1])c1cccs1
Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SC[C@H](C#N)CCC#N
Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccncc2)cc1 N#CC[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccncc1)SC[C@H](C#N)C[*:1]
Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccncc2)cc1 Cc1ccc(cc1)[*:1] N#CCC[C@@H](C#N)CSc1nnc(-c2ccncc2)n1[*:1]
Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccncc2)cc1 N#CCC[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccncc1)SC[C@H](C#N)[*:1]
C[C@@H](NC(N)=O)C(=O)NCc1cc(Cl)ccc1OC(F)F C[C@@H](NC(N)=O)[*:1] O=C(NCc1cc(Cl)ccc1OC(F)F)[*:1]
C[C@@H](NC(N)=O)C(=O)NCc1cc(Cl)ccc1OC(F)F NC(=O)N[*:1] C[C@@H](C(=O)NCc1cc(Cl)ccc1OC(F)F)[*:1]
C[C@@H](NC(N)=O)C(=O)NCc1cc(Cl)ccc1OC(F)F FC(F)O[*:1] C[C@@H](NC(N)=O)C(=O)NCc1cc(Cl)ccc1[*:1]
C[C@@H](NC(N)=O)C(=O)NCc1cc(Cl)ccc1OC(F)F FC(F)[*:1] C[C@@H](NC(N)=O)C(=O)NCc1cc(Cl)ccc1O[*:1]
Cc1cc(C)n(-c2ccc(CCNS(C)(=O)=O)cc2)n1 CS(=O)(=O)NC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C[*:1]
Cc1cc(C)n(-c2ccc(CCNS(C)(=O)=O)cc2)n1 CS(=O)(=O)N[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)CC[*:1]
O=C1c2ccccc2O[C@H]1c1nc2ccccc2nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2O[C@H]1c1nc2ccccc2nc1[*:1]
CC[C@@H](NC(=O)N[C@H]1CCN(C(C)C)C1=O)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)N[C@H]1CCN(C1=O)C(C)C)[*:1]
CC[C@@H](NC(=O)N[C@H]1CCN(C(C)C)C1=O)c1ccc(C)c(F)c1 CC(C)[*:1] CC[C@@H](NC(=O)N[C@H]1CCN(C1=O)[*:1])c1ccc(C)c(F)c1
CC(C)(C)NC(=O)c1cccc(NC(=O)c2cccc3[nH]ccc23)c1 CC(C)(C)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1cccc2[nH]ccc12
CC(C)(C)NC(=O)c1cccc(NC(=O)c2cccc3[nH]ccc23)c1 CC(C)(C)NC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc2[nH]ccc12
O=C([O-])c1cc(S(=O)(=O)NCc2ccncc2)c(Cl)cc1Cl O=C([O-])[*:1] O=S(=O)(NCc1ccncc1)c1cc(c(Cl)cc1Cl)[*:1]
O=C([O-])c1cc(S(=O)(=O)NCc2ccncc2)c(Cl)cc1Cl c1cc(ccn1)[*:1] O=C([O-])c1cc(c(Cl)cc1Cl)S(=O)(=O)NC[*:1]
O=C([O-])c1cc(S(=O)(=O)NCc2ccncc2)c(Cl)cc1Cl c1cc(ccn1)C[*:1] O=C([O-])c1cc(c(Cl)cc1Cl)S(=O)(=O)N[*:1]
Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)no1 Cc1cc(no1)[*:1] C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)no1 C1CC1[*:1] Cc1cc(no1)NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1[*:1]
Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)no1 c1csc(c1)[*:1] Cc1cc(no1)NC(=O)[C@@H](C)Sc1nnc(n1C1CC1)[*:1]
CN(CCN(C)c1ccccc1)C(=O)c1ccc(N2CCC(O)CC2)cc1 OC1CCN(CC1)[*:1] CN(CCN(C)c1ccccc1)C(=O)c1ccc(cc1)[*:1]
CN(CCN(C)c1ccccc1)C(=O)c1ccc(N2CCC(O)CC2)cc1 c1ccc(cc1)[*:1] CN(CCN(C)[*:1])C(=O)c1ccc(cc1)N1CCC(O)CC1
CN(CCN(C)c1ccccc1)C(=O)c1ccc(N2CCC(O)CC2)cc1 CN(c1ccccc1)[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)N1CCC(O)CC1
CN(CCN(C)c1ccccc1)C(=O)c1ccc(N2CCC(O)CC2)cc1 CN(C[*:1])c1ccccc1 CN(C[*:1])C(=O)c1ccc(cc1)N1CCC(O)CC1
CC(C)NC(=O)c1ccc(NC(=O)NCCC(N)=O)cc1 CC(C)NC(=O)[*:1] NC(=O)CCNC(=O)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccc(NC(=O)NCCC(N)=O)cc1 NC(=O)[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)NCC[*:1]
CC(C)NC(=O)c1ccc(NC(=O)NCCC(N)=O)cc1 NC(=O)CC[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)N[*:1]
CC(C)NC(=O)c1ccc(NC(=O)NCCC(N)=O)cc1 CC(C)[*:1] NC(=O)CCNC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)c1ccc(NC(=O)NCCC(N)=O)cc1 NC(=O)C[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)NC[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H]1[C@H]1COCC[C@@H]1O
CC(C)(CNCC(F)F)S(C)(=O)=O FC(F)C[*:1] CC(C)(CN[*:1])S(C)(=O)=O
CC(C)(CNCC(F)F)S(C)(=O)=O FC(F)[*:1] CC(C)(CNC[*:1])S(C)(=O)=O
CC(C)(CNCC(F)F)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNCC(F)F)[*:1]
CCSc1nnc2c(n1)O[C@@H](c1ccccn1)N(C(C)=O)c1ccccc1-2 c1ccc(nc1)[*:1] CCSc1nnc2-c3ccccc3N(C(C)=O)[C@H](Oc2n1)[*:1]
CCSc1nnc2c(n1)O[C@@H](c1ccccn1)N(C(C)=O)c1ccccc1-2 CCS[*:1] CC(=O)N1c2ccccc2-c2nnc(nc2O[C@H]1c1ccccn1)[*:1]
Cc1cc(NC(=O)CSc2nccn2C2CC2)c([N+](=O)[O-])cc1C C1CC1[*:1] Cc1cc(NC(=O)CSc2nccn2[*:1])c(cc1C)[N+](=O)[O-]
Cc1cc(NC(=O)CSc2nccn2C2CC2)c([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1cc(NC(=O)CSc2nccn2C2CC2)c(cc1C)[*:1]
Cc1cc(NC(=O)CSc2nccn2C2CC2)c([N+](=O)[O-])cc1C c1cn(c(n1)[*:1])C1CC1 Cc1cc(NC(=O)CS[*:1])c(cc1C)[N+](=O)[O-]
CC(C)[NH+](CC(N)=O)Cc1cc(=O)c([O-])co1 NC(=O)[*:1] CC(C)[NH+](Cc1cc(=O)c([O-])co1)C[*:1]
CC(C)[NH+](CC(N)=O)Cc1cc(=O)c([O-])co1 NC(=O)C[*:1] CC(C)[NH+](Cc1cc(=O)c([O-])co1)[*:1]
CC(C)[NH+](CC(N)=O)Cc1cc(=O)c([O-])co1 CC(C)[*:1] NC(=O)C[NH+](Cc1cc(=O)c([O-])co1)[*:1]
C[C@@H](CN(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CN(C)C(=O)c1ccc2C(=O)N(C)C(=O)c2c1)[*:1]
C[C@@H](CN(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CN(C[*:1])C(=O)c1ccc2C(=O)N(C)C(=O)c2c1
COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)ccc1O Fc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1C[*:1]
COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)ccc1O Fc1ccc(cc1)C[*:1] COc1cc(ccc1O)[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)ccc1O COc1cc(ccc1O)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](N1Cc1ccc(F)cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1 CC(C)[*:1] O=S(=O)(Nc1ccc2CCCc2c1)c1ccc(cc1)[*:1]
C#CCOc1ccc2ccccc2c1CN1CCN(C(=O)[C@@H](C)O)CC1 C#CC[*:1] C[C@@H](O)C(=O)N1CCN(CC1)Cc1c(ccc2ccccc12)O[*:1]
C#CCOc1ccc2ccccc2c1CN1CCN(C(=O)[C@@H](C)O)CC1 C#CCO[*:1] C[C@@H](O)C(=O)N1CCN(CC1)Cc1c(ccc2ccccc12)[*:1]
Fc1cccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 FC(F)(F)[*:1] Fc1cccc(c1)C[NH2+][C@H]1CCC[C@@H](C1)[*:1]
COc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)cc2)c2ccccc12 Cc1ccc(cc1)[*:1] COc1ccc(c2ccccc12)S(=O)(=O)NNC(=O)[*:1]
CCC[C@H]1CN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CCO1 Fc1cccc(c1)[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@@H](N1CCOCC1)[*:1]
CCC[C@H]1CN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CCO1 CCC[*:1] O=C([C@@H](c1cccc(F)c1)N1CCOCC1)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CCO1 C1CN(CCO1)[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@@H](c1cccc(F)c1)[*:1]
CCN1CCN(C(=O)c2ccncc2C#CCO)CC1 OCC#C[*:1] CCN1CCN(CC1)C(=O)c1ccncc1[*:1]
CC(C)CCn1c(S[C@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O CC(C)CC[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)NC1CCCC1
CC(C)CCn1c(S[C@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O CC(C)C[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1C[*:1])C(=O)NC1CCCC1
CC(C)CCn1c(S[C@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O O=C(NC1CCCC1)[*:1] CC(C)CCn1c(nc2ccccc2c1=O)S[C@H](C)[*:1]
CC(C)CCn1c(S[C@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O CC(C)[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1CC[*:1])C(=O)NC1CCCC1
CC(C)CCn1c(S[C@H](C)C(=O)NC2CCCC2)nc2ccccc2c1=O C1CCC(C1)[*:1] CC(C)CCn1c(nc2ccccc2c1=O)S[C@H](C)C(=O)N[*:1]
Cc1ccc(CC(=O)Nc2nc(-c3ccco3)cs2)cn1 c1coc(c1)[*:1] Cc1ccc(cn1)CC(=O)Nc1nc(cs1)[*:1]
Cc1ccc(CC(=O)Nc2nc(-c3ccco3)cs2)cn1 Cc1ccc(cn1)[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccco1
CC(=O)N1CCc2cc(NC(=O)COC(=O)CCc3ccco3)ccc21 c1coc(c1)C[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)COC(=O)C[*:1]
CC(=O)N1CCc2cc(NC(=O)COC(=O)CCc3ccco3)ccc21 c1coc(c1)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)COC(=O)CC[*:1]
CC(=O)N1CCc2cc(NC(=O)COC(=O)CCc3ccco3)ccc21 c1coc(c1)CC[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)COC(=O)[*:1]
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCc2ccc(Br)s2)cc1 Brc1ccc(s1)[*:1] COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NC[*:1])cc1
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCc2ccc(Br)s2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)C=C[*:1])C(=O)NCc1ccc(Br)s1
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCc2ccc(Br)s2)cc1 Brc1ccc(C[*:1])s1 COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N[*:1])cc1
C[C@H](OC(=O)c1cccnc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 Clc1ncccc1[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1cc(Cl)cc(Cl)c1
Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O N#Cc1ccc(cc1)[*:1] Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1cc(Br)cc(N)c1OCC(=O)OC(C)C CC(C)[*:1] Cc1cc(Br)cc(N)c1OCC(=O)O[*:1]
C[NH2+][C@H](CC[C@H]1CCOC2(CCSCC2)C1)C(C)C CC(C)[*:1] C[NH2+][C@H](CC[C@H]1CCOC2(CCSCC2)C1)[*:1]
CCc1cccc2c(/C=C(\C#N)C(=O)NC3CC3)cn(CC(=O)N3CCCCC3)c12 O=C(N1CCCCC1)[*:1] CCc1cccc2c(/C=C(\C#N)C(=O)NC3CC3)cn(C[*:1])c12
CCc1cccc2c(/C=C(\C#N)C(=O)NC3CC3)cn(CC(=O)N3CCCCC3)c12 N#CC(=C[*:1])C(=O)NC1CC1 CCc1cccc2c(cn(CC(=O)N3CCCCC3)c12)[*:1]
CCc1cccc2c(/C=C(\C#N)C(=O)NC3CC3)cn(CC(=O)N3CCCCC3)c12 O=C(NC1CC1)[*:1] CCc1cccc2c(C=C(C#N)[*:1])cn(CC(=O)N3CCCCC3)c12
CCc1cccc2c(/C=C(\C#N)C(=O)NC3CC3)cn(CC(=O)N3CCCCC3)c12 O=C(C[*:1])N1CCCCC1 CCc1cccc2c(/C=C(\C#N)C(=O)NC3CC3)cn(c12)[*:1]
CCc1cccc2c(/C=C(\C#N)C(=O)NC3CC3)cn(CC(=O)N3CCCCC3)c12 C1CC1[*:1] CCc1cccc2c(/C=C(\C#N)C(=O)N[*:1])cn(CC(=O)N3CCCCC3)c12
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 O=C(N1CCOCC1)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]2c2ccncc2)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(CCN1CCC[C@@H]1c1ccncc1)[*:1]
N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]2c2ccncc2)cc1 c1cc(ccn1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)CCN1CCC[C@H]1[*:1]
Cc1cccc(C)c1OCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 Cc1cccc(C)c1[*:1] O=C1COc2ccc(cc2N1)C(=O)COC(=O)CO[*:1]
Cc1cccc(C)c1OCC(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 Cc1cccc(C)c1O[*:1] O=C1COc2ccc(cc2N1)C(=O)COC(=O)C[*:1]
N#Cc1cccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)c1 N#Cc1cccc(c1)[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)NC[*:1]
CC(C)OCCOC(=O)C1=NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1C CC(C)OCC[*:1] C[C@H]1C(=NC2C[C@@H](CC(=O)C=21)c1ccco1)C(=O)O[*:1]
CC(C)OCCOC(=O)C1=NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1C c1coc(c1)[*:1] CC(C)OCCOC(=O)C1=NC2C[C@H](CC(=O)C=2[C@H]1C)[*:1]
CC(C)OCCOC(=O)C1=NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1C CC(C)OC[*:1] C[C@H]1C(=NC2C[C@@H](CC(=O)C=21)c1ccco1)C(=O)OC[*:1]
CC(C)OCCOC(=O)C1=NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1C CC(C)[*:1] C[C@H]1C(=NC2C[C@@H](CC(=O)C=21)c1ccco1)C(=O)OCCO[*:1]
CC(C)OCCOC(=O)C1=NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1C CC(C)O[*:1] C[C@H]1C(=NC2C[C@@H](CC(=O)C=21)c1ccco1)C(=O)OCC[*:1]
CS(=O)(=O)Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 CS(=O)(=O)[*:1] O=C(c1ccc(cc1)C[*:1])N1CCN(CC1)c1cccc(Cl)c1
CS(=O)(=O)Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 Clc1cccc(c1)[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
CS(=O)(=O)Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 CS(=O)(=O)C[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1cccc(Cl)c1
COc1ccc(/C=C2/SC(=N)N(c3nonc3N)C2=O)cc1 Nc1nonc1[*:1] COc1ccc(/C=C2/SC(=N)N(C2=O)[*:1])cc1
CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCC(OC)CC1 CCS[*:1] COC1CCN(CC1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
COc1ccc([C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)N2Cc3ccccc3C2=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](C(=O)N[*:1])N1Cc2ccccc2C1=O
COc1ccc([C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)N2Cc3ccccc3C2=O)cc1 O=C1c2ccccc2CN1[*:1] COc1ccc(cc1)[C@@H](C(=O)Nc1ccc(cc1)NC(C)=O)[*:1]
COc1ccc([C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)N2Cc3ccccc3C2=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@@H](C(=O)Nc1ccc(cc1)[*:1])N1Cc2ccccc2C1=O
COc1ccc([C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)N2Cc3ccccc3C2=O)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@@H](N1Cc2ccccc2C1=O)[*:1]
COc1ccccc1N1CCN(C(=O)c2nc(C)sc2-c2ccccc2)CC1 COc1ccccc1[*:1] Cc1nc(C(=O)N2CCN(CC2)[*:1])c(s1)-c1ccccc1
COc1ccccc1N1CCN(C(=O)c2nc(C)sc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1nc(C)sc1[*:1]
C[C@H](C(=O)[O-])[C@H](C)[NH+]1CCN(CCO)CC1 OCC[*:1] C[C@H](C(=O)[O-])[C@H](C)[NH+]1CCN(CC1)[*:1]
C[C@H](C(=O)[O-])[C@H](C)[NH+]1CCN(CCO)CC1 O=C([O-])[*:1] C[C@@H]([C@@H](C)[*:1])[NH+]1CCN(CCO)CC1
C[C@H](C(=O)[O-])[C@H](C)[NH+]1CCN(CCO)CC1 C[C@H](C(=O)[O-])[*:1] C[C@H]([NH+]1CCN(CCO)CC1)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O[C@H](O)CN1CCN(CCO)CC1)C2 OCC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)O[C@H](O)CN1CCN(CC1)[*:1]
CCc1ccc(-c2cn3c(C(=O)N[C@@H](C)c4cnn(C)c4C)csc3n2)cc1 Cc1c(cnn1C)[*:1] CCc1ccc(cc1)-c1cn2c(csc2n1)C(=O)N[C@@H](C)[*:1]
CCc1ccc(-c2cn3c(C(=O)N[C@@H](C)c4cnn(C)c4C)csc3n2)cc1 CCc1ccc(cc1)[*:1] Cc1c(cnn1C)[C@H](C)NC(=O)c1csc2nc(cn12)[*:1]
CCc1nn(C)cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)cc1NC(=O)c1cc(Cl)ccc1[*:1]
CC(=O)Nc1ccc(CN2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 Fc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)CN1CCC[C@H](C1)c1nc(N)ncc1[*:1]
CC(=O)Nc1ccc(CN2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Nc1ncc(-c2cccc(F)c2)c(n1)[C@@H]1CCCN(C1)C[*:1]
CC(=O)Nc1ccc(CN2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 CC(=O)N[*:1] Nc1ncc(-c2cccc(F)c2)c(n1)[C@@H]1CCCN(Cc2ccc(cc2)[*:1])C1
Cc1cccc2sc(N(Cc3ccccc3)C(=O)CCS(=O)(=O)c3ccccc3)nc12 O=S(=O)(C[*:1])c1ccccc1 Cc1cccc2sc(nc12)N(Cc1ccccc1)C(=O)C[*:1]
Cc1cccc2sc(N(Cc3ccccc3)C(=O)CCS(=O)(=O)c3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1cccc2sc(nc12)N(C[*:1])C(=O)CCS(=O)(=O)c1ccccc1
Cc1cccc2sc(N(Cc3ccccc3)C(=O)CCS(=O)(=O)c3ccccc3)nc12 c1ccc(cc1)C[*:1] Cc1cccc2sc(nc12)N(C(=O)CCS(=O)(=O)c1ccccc1)[*:1]
Cc1cccc2sc(N(Cc3ccccc3)C(=O)CCS(=O)(=O)c3ccccc3)nc12 O=S(=O)(c1ccccc1)[*:1] Cc1cccc2sc(nc12)N(Cc1ccccc1)C(=O)CC[*:1]
Cc1cccc2sc(N(Cc3ccccc3)C(=O)CCS(=O)(=O)c3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1cccc2sc(nc12)N(Cc1ccccc1)C(=O)CCS(=O)(=O)[*:1]
Cc1cccc2sc(N(Cc3ccccc3)C(=O)CCS(=O)(=O)c3ccccc3)nc12 Cc1cccc2sc(nc12)[*:1] O=C(CCS(=O)(=O)c1ccccc1)N(Cc1ccccc1)[*:1]
CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)c(OC)c1)CC(=O)N2 CCS[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
NC(=O)[C@H](c1ccccc1)N1CCC(C(=O)c2ccc(O)cc2)CC1 c1ccc(cc1)[*:1] NC(=O)[C@H](N1CCC(CC1)C(=O)c1ccc(O)cc1)[*:1]
NC(=O)[C@H](c1ccccc1)N1CCC(C(=O)c2ccc(O)cc2)CC1 NC(=O)[*:1] O=C(c1ccc(O)cc1)C1CCN(CC1)[C@@H](c1ccccc1)[*:1]
NC(=O)[C@H](c1ccccc1)N1CCC(C(=O)c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] NC(=O)[C@H](c1ccccc1)N1CCC(CC1)C(=O)[*:1]
CC[C@@H](C)NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C CC[C@@H](C)[*:1] Cc1ccc(cc1NC(=O)N[*:1])NC(=O)c1ccccc1
CC[C@@H](C)NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)Nc1cc(ccc1C)NC(=O)[*:1]
CC[C@@H](C)NC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C CC[C@@H](C)NC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccccc1
CC[C@@H](C(=O)Nc1ccsc1C(=O)OC)c1ccccc1 COC(=O)[*:1] CC[C@@H](C(=O)Nc1ccsc1[*:1])c1ccccc1
CC[C@@H](C(=O)Nc1ccsc1C(=O)OC)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccsc1C(=O)OC)[*:1]
CC(=O)Nc1ccc(OC(=O)CNC(=O)CC(C)(C)C)cc1 CC(C)(C)C[*:1] CC(=O)Nc1ccc(cc1)OC(=O)CNC(=O)[*:1]
CC(=O)Nc1ccc(OC(=O)CNC(=O)CC(C)(C)C)cc1 CC(=O)N[*:1] CC(C)(C)CC(=O)NCC(=O)Oc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(OC(=O)CNC(=O)CC(C)(C)C)cc1 CC(C)(C)[*:1] CC(=O)Nc1ccc(cc1)OC(=O)CNC(=O)C[*:1]
Cn1cc(C(=O)N[C@H]2CCC[C@H](C3CC3)C2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)N[C@H]2CCC[C@@H](C2)C2CC2)c(n1)[*:1]
Cn1cc(C(=O)N[C@H]2CCC[C@H](C3CC3)C2)c(C(C)(C)C)n1 C1CC1[*:1] Cn1cc(C(=O)N[C@H]2CCC[C@H](C2)[*:1])c(n1)C(C)(C)C
COC(=O)[C@H](CC(C)C)NC(=O)c1cnn2cc(Br)cnc12 COC(=O)[*:1] CC(C)C[C@H](NC(=O)c1cnn2cc(Br)cnc12)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1cnn2cc(Br)cnc12 CC(C)[*:1] COC(=O)[C@H](C[*:1])NC(=O)c1cnn2cc(Br)cnc12
COC(=O)[C@H](CC(C)C)NC(=O)c1cnn2cc(Br)cnc12 CC(C)C[*:1] COC(=O)[C@H](NC(=O)c1cnn2cc(Br)cnc12)[*:1]
Cc1cccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccn1)N[*:1]
Cc1cccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)NC(=O)CC[NH+]1CCN(CC1)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 C1CO[C@H](C1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C(O)C(=O)N(C[*:1])[C@@H]1c1ccc(cc1)C(C)(C)C
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 CC(C)(C)c1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1[*:1]
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 CC(C)(C)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(cc1)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 C1CO[C@H](C1)C[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C(O)C(=O)N([C@@H]1c1ccc(cc1)C(C)(C)C)[*:1]
COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCOc3ccc(OC)cc31)CC2 COC[*:1] COc1ccc2OCCC[C@@H]([NH2+][C@@H]3CCc4nc(nn4C3)[*:1])c2c1
COc1ccc2c(CC(=O)Nc3cnn(Cc4ccccc4)c3)cc(=O)oc2c1 c1ccc(cc1)[*:1] COc1ccc2c(cc(=O)oc2c1)CC(=O)Nc1cnn(c1)C[*:1]
COc1ccc2c(CC(=O)Nc3cnn(Cc4ccccc4)c3)cc(=O)oc2c1 c1ccc(cc1)C[*:1] COc1ccc2c(cc(=O)oc2c1)CC(=O)Nc1cnn(c1)[*:1]
C[C@@H](NC(=O)[C@@H]1C=C(c2ccccc2)N=N1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1C=C(N=N1)[*:1])c1ccc2OCCOc2c1
Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1CCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1CC[*:1]
Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1CCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1C[*:1]
Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1CCc1ccc(Cl)cc1 Clc1ccc(cc1)CC[*:1] Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1[*:1]
Cc1ccc(S(=O)(=O)N2CCC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[NH+](CC1)Cc1nc(no1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CCC[NH+](CC1)Cc1nc(no1)-c1ccccc1)[*:1]
CC(C)c1ocnc1C[S@](=O)CCC(=O)NC1CCCCC1 CC(C)[*:1] O=C(CC[S@@](=O)Cc1ncoc1[*:1])NC1CCCCC1
CC(C)c1ocnc1C[S@](=O)CCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC(C)c1ocnc1C[S@](=O)CCC(=O)N[*:1]
CC[C@H](C)c1ccccc1OCC(=O)Nc1ccnc2ccnn12 CC[C@H](C)[*:1] O=C(COc1ccccc1[*:1])Nc1ccnc2ccnn12
C[C@H](O)[C@@]1(O)CC[C@@H]2[C@H]3CC[C@@]4(C)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C C[C@H](O)[*:1] C[C@@]12CC[C@@H]3[C@H]4CC[C@](O)([C@@]4(C)CC[C@H]3[C@@]1(C)CC[C@@H](O)C2)[*:1]
COCC[C@H](C)C(=O)N1CCCc2ccc(C)cc21 COC[*:1] Cc1ccc2CCCN(C(=O)[C@@H](C)C[*:1])c2c1
COCC[C@H](C)C(=O)N1CCCc2ccc(C)cc21 COCC[*:1] Cc1ccc2CCCN(C(=O)[C@@H](C)[*:1])c2c1
COCC[C@H](C)C(=O)N1CCCc2ccc(C)cc21 COCC[C@H](C)[*:1] Cc1ccc2CCCN(C(=O)[*:1])c2c1
Cc1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H](C)CCO)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H](C)CCO)c1[*:1]
Cc1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H](C)CCO)c1[N+](=O)[O-] c1ccc(cc1)C[*:1] Cc1[nH]nc(C(=O)N([C@@H](C)CCO)[*:1])c1[N+](=O)[O-]
Cc1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H](C)CCO)c1[N+](=O)[O-] OCC[*:1] Cc1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H](C)[*:1])c1[N+](=O)[O-]
Cc1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H](C)CCO)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1[nH]nc(C(=O)N(C[*:1])[C@@H](C)CCO)c1[N+](=O)[O-]
COc1ccccc1-n1cnnc1SCC(=O)c1ccc(Cl)c(Cl)c1 COc1ccccc1[*:1] O=C(CSc1nncn1[*:1])c1ccc(Cl)c(Cl)c1
COc1ccccc1-n1cnnc1SCC(=O)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] COc1ccccc1-n1cnnc1SCC(=O)[*:1]
Cc1cc(N)n(CC(=O)N2CCC3(CC2)[C@@H](OCC[NH3+])C[C@H]3[O-])n1 Cc1cc(N)n(C[*:1])n1 [NH3+]CCO[C@H]1C[C@@H]([O-])C12CCN(CC2)C(=O)[*:1]
Cc1cc(N)n(CC(=O)N2CCC3(CC2)[C@@H](OCC[NH3+])C[C@H]3[O-])n1 Cc1cc(N)n(n1)[*:1] [NH3+]CCO[C@H]1C[C@@H]([O-])C12CCN(CC2)C(=O)C[*:1]
O=C(NCC[NH+]1CCCCCC1)c1cc(=O)nc2sc(N3CCCCCC3)nn12 C1CCCN(CC1)[*:1] O=C(NCC[NH+]1CCCCCC1)c1cc(=O)nc2sc(nn12)[*:1]
Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)c1ccc(Cl)c(c1)S(=O)(=O)[N-]c1ccc(F)cc1)[*:1]
Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)o1 Fc1ccc(cc1)[*:1] Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(c2)S(=O)(=O)[N-][*:1])o1
Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)c1ccc(Cl)c(c1)S(=O)(=O)[N-]c1ccc(F)cc1
CC(C)(C)N1C[C@H](C(=O)N2CCN(CCOc3ccccc3)CC2)CC1=O c1ccc(cc1)OC[*:1] CC(C)(C)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)C[*:1]
CC(C)(C)N1C[C@H](C(=O)N2CCN(CCOc3ccccc3)CC2)CC1=O c1ccc(cc1)O[*:1] CC(C)(C)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)CC[*:1]
CC(C)(C)N1C[C@H](C(=O)N2CCN(CCOc3ccccc3)CC2)CC1=O c1ccc(cc1)OCC[*:1] CC(C)(C)N1C[C@@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
CC(C)(C)N1C[C@H](C(=O)N2CCN(CCOc3ccccc3)CC2)CC1=O c1ccc(cc1)[*:1] CC(C)(C)N1C[C@@H](CC1=O)C(=O)N1CCN(CCO[*:1])CC1
CC(C)(C)N1C[C@H](C(=O)N2CCN(CCOc3ccccc3)CC2)CC1=O CC(C)(C)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCN(CCOc2ccccc2)CC1
CCc1nnc(NC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)s1 CC(C)[*:1] CCc1nnc(NC(=O)NC[C@@H]2CCO[C@H]2[*:1])s1
O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc(OC(F)F)c(F)c1 FC(F)O[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc(c(F)c1)[*:1]
O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc(OC(F)F)c(F)c1 FC(F)[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccc(O[*:1])c(F)c1
COc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1OC Cc1ccccc1[*:1] COc1ccc(/C=N/NC(=O)CNC(=O)[*:1])cc1OC
CSc1ccc(CNC(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1 CC(C)NC(=O)[*:1] CSc1ccc(cc1)CNC(=O)N1CCN(CC1)C[*:1]
CSc1ccc(CNC(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1 CC(C)NC(=O)C[*:1] CSc1ccc(cc1)CNC(=O)N1CCN(CC1)[*:1]
CSc1ccc(CNC(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1 CSc1ccc(cc1)[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)NC[*:1]
CSc1ccc(CNC(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1 CC(C)[*:1] CSc1ccc(cc1)CNC(=O)N1CCN(CC1)CC(=O)N[*:1]
C[C@@H](N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)N1CCOCC1 O=C(NC1CC1)N[*:1] C[C@@H](N[C@H](C)c1ccc(cc1)[*:1])C(=O)N1CCOCC1
C[C@@H](N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@@H](N[C@H](C)[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@@H](N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)N1CCOCC1 C1CC1[*:1] C[C@@H](N[C@H](C)c1ccc(cc1)NC(=O)N[*:1])C(=O)N1CCOCC1
OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@@H](c2cccnc2)SC1 Clc1ccc(cc1)C[*:1] OC1CS[C@H](c2cccnc2)c2cnn(c2N=1)[*:1]
OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@@H](c2cccnc2)SC1 Clc1ccc(cc1)[*:1] OC1CS[C@H](c2cccnc2)c2cnn(C[*:1])c2N=1
OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@@H](c2cccnc2)SC1 c1cncc(c1)[*:1] OC1CS[C@H](c2cnn(Cc3ccc(Cl)cc3)c2N=1)[*:1]
CCC[C@H](O)Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 CCC[C@H](O)[*:1] C1C[C@@H]2CO[C@@H](CN2C1)c1noc(C[*:1])n1
CCC[C@H](O)Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 CCC[*:1] O[C@H](Cc1nc(no1)[C@@H]1CN2CCC[C@@H]2CO1)[*:1]
CCC[C@H](O)Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 CCC[C@H](O)C[*:1] C1C[C@@H]2CO[C@@H](CN2C1)c1noc(n1)[*:1]
CCCC(=O)N1CCC(n2nnn(-c3ccccc3)c2=O)CC1 CCC[*:1] O=C(N1CCC(CC1)n1nnn(-c2ccccc2)c1=O)[*:1]
CCCC(=O)N1CCC(n2nnn(-c3ccccc3)c2=O)CC1 c1ccc(cc1)[*:1] CCCC(=O)N1CCC(CC1)n1nnn(c1=O)[*:1]
CCCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] CCCNC(=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] CCCNC(=O)C(=O)Nc1ccc(O[*:1])c(Cl)c1
CCCNC(=O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 CCC[*:1] O=C(Nc1ccc(OC(F)F)c(Cl)c1)C(=O)N[*:1]
CCOC(=O)[C@H]1C(=O)N=C(N2CC[NH+](Cc3ccccc3)CC2)N[C@@H]1c1ccco1 c1ccc(cc1)C[*:1] CCOC(=O)[C@H]1C(=O)N=C(N[C@@H]1c1ccco1)N1CC[NH+](CC1)[*:1]
CCOC(=O)[C@H]1C(=O)N=C(N2CC[NH+](Cc3ccccc3)CC2)N[C@@H]1c1ccco1 c1coc(c1)[*:1] CCOC(=O)[C@H]1C(=O)N=C(N[C@H]1[*:1])N1CC[NH+](CC1)Cc1ccccc1
CCOC(=O)[C@H]1C(=O)N=C(N2CC[NH+](Cc3ccccc3)CC2)N[C@@H]1c1ccco1 CCOC(=O)[*:1] O=C1N=C(N[C@H](c2ccco2)[C@H]1[*:1])N1CC[NH+](CC1)Cc1ccccc1
CCOC(=O)[C@H]1C(=O)N=C(N2CC[NH+](Cc3ccccc3)CC2)N[C@@H]1c1ccco1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(=O)N=C(N[C@@H]1c1ccco1)N1CC[NH+](CC1)C[*:1]
CC(C)C(=O)Nc1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)C[NH2+]Cc1cccc(Cl)c1Cl)[*:1]
CC(C)C(=O)Nc1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)cc1 CC(C)C(=O)N[*:1] Clc1cccc(C[NH2+]Cc2ccc(cc2)[*:1])c1Cl
CC[NH2+][C@H](C)[C@@H]1CCCCN1c1ccc(C(N)=O)cn1 NC(=O)[*:1] CC[NH2+][C@H](C)[C@@H]1CCCCN1c1ccc(cn1)[*:1]
Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccc(Br)cc2)CCCC1 c1coc(c1)C[*:1] Cc1cccc(C)c1NC(=O)C1(CCCC1)N(C(=O)c1ccc(Br)cc1)[*:1]
Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccc(Br)cc2)CCCC1 Cc1cccc(C)c1[*:1] O=C(c1ccc(Br)cc1)N(Cc1ccco1)C1(CCCC1)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccc(Br)cc2)CCCC1 c1coc(c1)[*:1] Cc1cccc(C)c1NC(=O)C1(CCCC1)N(C[*:1])C(=O)c1ccc(Br)cc1
Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccc(Br)cc2)CCCC1 Brc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)C1(CCCC1)N(Cc1ccco1)C(=O)[*:1]
CC(=O)Nc1cccc(-c2nccnc2N(C)C)c1 CN(C)[*:1] CC(=O)Nc1cccc(c1)-c1nccnc1[*:1]
CC(=O)Nc1cccc(-c2nccnc2N(C)C)c1 CC(=O)N[*:1] CN(C)c1nccnc1-c1cccc(c1)[*:1]
Cc1c(C)n(Cc2ccccc2)c2ncn3nc(CC(C)C)nc3c12 CC(C)C[*:1] Cc1c(C)n(Cc2ccccc2)c2ncn3nc(nc3c12)[*:1]
Cc1c(C)n(Cc2ccccc2)c2ncn3nc(CC(C)C)nc3c12 c1ccc(cc1)[*:1] Cc1c(C)n(C[*:1])c2ncn3nc(CC(C)C)nc3c12
Cc1c(C)n(Cc2ccccc2)c2ncn3nc(CC(C)C)nc3c12 c1ccc(cc1)C[*:1] Cc1c(C)n(c2ncn3nc(CC(C)C)nc3c12)[*:1]
Cc1c(C)n(Cc2ccccc2)c2ncn3nc(CC(C)C)nc3c12 CC(C)[*:1] Cc1c(C)n(Cc2ccccc2)c2ncn3nc(C[*:1])nc3c12
Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1c[nH]ccc1=O O=c1cc[nH]cc1[*:1] Cc1nc(sc1C(=O)N[*:1])-c1cnn(C)c1
Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1c[nH]ccc1=O Cn1cc(cn1)[*:1] Cc1nc(sc1C(=O)Nc1c[nH]ccc1=O)[*:1]
COCCN(CC(C)C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 CC(C)[*:1] COCCN(C[*:1])C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1
COCCN(CC(C)C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 COCC[*:1] CC(C)CN(C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1)[*:1]
COCCN(CC(C)C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 c1cncc(c1)[*:1] COCCN(CC(C)C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1[*:1]
COCCN(CC(C)C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 COC[*:1] CC(C)CN(C[*:1])C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1
COCCN(CC(C)C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 CC(C)C[*:1] COCCN(C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1)[*:1]
Cc1nn(C(F)F)cc1S(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1 Cc1nn(cc1[*:1])C(F)F O=S(=O)(N1CCC(CC1)c1nnc2CCCCCn21)[*:1]
Cc1nn(C(F)F)cc1S(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1 FC(F)[*:1] Cc1nn(cc1S(=O)(=O)N1CCC(CC1)c1nnc2CCCCCn21)[*:1]
O=C(NCc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 Clc1cccc(c1)[*:1] O=C(NC[*:1])c1cccc(c1)S(=O)(=O)N1CCCCC1
O=C(NCc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 Clc1cccc(c1)C[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCCCC1
Cn1cc(C[NH2+]C2CCN(c3ccccc3)CC2)c(C(F)(F)F)n1 FC(F)(F)[*:1] Cn1cc(C[NH2+]C2CCN(CC2)c2ccccc2)c(n1)[*:1]
Cn1cc(C[NH2+]C2CCN(c3ccccc3)CC2)c(C(F)(F)F)n1 c1ccc(cc1)[*:1] Cn1cc(C[NH2+]C2CCN(CC2)[*:1])c(n1)C(F)(F)F
Fc1ccccc1OCc1nnc2n1N=C1CCCC[C@@H]1S2 Fc1ccccc1[*:1] C1CC[C@@H]2Sc3nnc(CO[*:1])n3N=C2C1
CC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@H]1CCC[C@H]1[*:1]
COC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)[*:1]
COC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 COC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C[*:1])c1ccccc1
COC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 Cc1ccc(cc1)[*:1] COC(=O)C[C@H](NS(=O)(=O)[*:1])c1ccccc1
COC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 COC(=O)C[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@H](c1ccccc1)[*:1]
C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H](C)C(=O)[O-] C[C@@H](C(=O)[O-])[*:1] C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[*:1]
C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H](C)[*:1]
COCCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] COCCNC(=O)c1cccc(c1)NC(=O)[C@@H]1CCCC[C@@H]1[*:1]
COCCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 COCC[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]
COCCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 COC[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]
COCCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 COCCNC(=O)[*:1] O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(c1)[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C(C)C)nn1C C=CC[*:1] CC(C)c1cc(C(=O)N(Cc2cccc(C#N)c2)[*:1])n(C)n1
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C(C)C)nn1C N#Cc1cccc(c1)[*:1] C=CCN(C[*:1])C(=O)c1cc(nn1C)C(C)C
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C(C)C)nn1C CC(C)[*:1] C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(nn1C)[*:1]
CCCC[S@@](=O)Cc1csc([C@@H](C)OC)n1 CCCC[*:1] CO[C@H](C)c1nc(cs1)C[S@](=O)[*:1]
CCCC[S@@](=O)Cc1csc([C@@H](C)OC)n1 CO[C@H](C)[*:1] CCCC[S@@](=O)Cc1csc(n1)[*:1]
CCCC[S@@](=O)Cc1csc([C@@H](C)OC)n1 CCC[*:1] CO[C@H](C)c1nc(cs1)C[S@](=O)C[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)N2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C1C[C@H](NC(=N1)N1CC[NH+](CC1)Cc1ccc2OCOc2c1)C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)N2)cc1 CC(=O)[*:1] O=C1C[C@H](NC(=N1)N1CC[NH+](CC1)Cc1ccc2OCOc2c1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)N2)cc1 c1cc2OCOc2cc1[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N=C(N1)N1CC[NH+](CC1)C[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)N2)cc1 c1cc2OCOc2cc1C[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N=C(N1)N1CC[NH+](CC1)[*:1]
Cc1ccc(CCNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cn1 Cc1ccc(cn1)C[*:1] O=C(NC[*:1])Nc1ccc(cc1)-c1cc[nH]n1
Cc1ccc(CCNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cn1 Cc1ccc(cn1)[*:1] O=C(NCC[*:1])Nc1ccc(cc1)-c1cc[nH]n1
Cc1ccc(CCNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cn1 c1cc(n[nH]1)[*:1] Cc1ccc(cn1)CCNC(=O)Nc1ccc(cc1)[*:1]
Cc1ncccc1NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 Cc1ncccc1[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1ccc(C#N)cc1
COC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 COC(=O)C[*:1] O=C(N[*:1])N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 COC(=O)[*:1] O=C(NC[*:1])N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] COC(=O)CNC(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)[*:1])C(F)(F)F
CCC[NH+]1CCC(N(C)Cc2c[nH]c(C(=O)OC)c2)CC1 CCC[*:1] COC(=O)c1cc(c[nH]1)CN(C)C1CC[NH+](CC1)[*:1]
CCC[NH+]1CCC(N(C)Cc2c[nH]c(C(=O)OC)c2)CC1 COC(=O)[*:1] CCC[NH+]1CCC(CC1)N(C)Cc1c[nH]c(c1)[*:1]
Cc1ccc(-c2nc(CCNC(=O)N[C@H](C)c3cn(C)nc3C)co2)cc1 Cc1nn(C)cc1[*:1] Cc1ccc(cc1)-c1nc(co1)CCNC(=O)N[C@H](C)[*:1]
Cc1ccc(-c2nc(CCNC(=O)N[C@H](C)c3cn(C)nc3C)co2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)NCCc1coc(n1)[*:1]
CCN(C(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(C(=O)CN1C(=O)CSc2ccc(cc21)S(=O)(=O)N1CCOCC1)[*:1]
CCN(C(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1cccc(C)c1 O=S(=O)(N1CCOCC1)[*:1] CCN(C(=O)CN1C(=O)CSc2ccc(cc21)[*:1])c1cccc(C)c1
CCOc1ccccc1[C@H]1C2=Nc3ccccc3[C@H]2CCN1C(=O)CCC1=C(C)N=N[C@@H]1C CCO[*:1] CC1N=N[C@H](C)C=1CCC(=O)N1CC[C@H]2C(=Nc3ccccc32)[C@@H]1c1ccccc1[*:1]
CCOc1ccccc1[C@H]1C2=Nc3ccccc3[C@H]2CCN1C(=O)CCC1=C(C)N=N[C@@H]1C CCOc1ccccc1[*:1] CC1N=N[C@H](C)C=1CCC(=O)N1CC[C@H]2C(=Nc3ccccc32)[C@@H]1[*:1]
COC(=O)c1cc(Sc2ccccc2[N+](=O)[O-])ccc1NC(C)=O COC(=O)[*:1] CC(=O)Nc1ccc(cc1[*:1])Sc1ccccc1[N+](=O)[O-]
COC(=O)c1cc(Sc2ccccc2[N+](=O)[O-])ccc1NC(C)=O O=[N+]([O-])[*:1] COC(=O)c1cc(ccc1NC(C)=O)Sc1ccccc1[*:1]
COC(=O)c1cc(Sc2ccccc2[N+](=O)[O-])ccc1NC(C)=O CC(=O)N[*:1] COC(=O)c1cc(ccc1[*:1])Sc1ccccc1[N+](=O)[O-]
CC(C)CN1C(=O)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O CC(C)C[*:1] O=C1C(=O)N(C(=O)N1Cc1ccc(Cl)cc1Cl)[*:1]
CC(C)CN1C(=O)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O CC(C)[*:1] O=C1C(=O)N(C[*:1])C(=O)N1Cc1ccc(Cl)cc1Cl
CCOc1cc(C(=O)NCc2cccc(OC)c2)ccc1OC CCO[*:1] COc1cccc(c1)CNC(=O)c1ccc(OC)c(c1)[*:1]
O=C([O-])[C@H]1CCCN(c2cc(-c3ccccn3)nc(-c3ccccc3F)n2)C1 c1ccc(nc1)[*:1] O=C([O-])[C@H]1CCCN(C1)c1cc(nc(n1)-c1ccccc1F)[*:1]
O=C([O-])[C@H]1CCCN(c2cc(-c3ccccn3)nc(-c3ccccc3F)n2)C1 O=C([O-])[*:1] Fc1ccccc1-c1nc(cc(n1)N1CCC[C@@H](C1)[*:1])-c1ccccn1
O=C([O-])[C@H]1CCCN(c2cc(-c3ccccn3)nc(-c3ccccc3F)n2)C1 Fc1ccccc1[*:1] O=C([O-])[C@H]1CCCN(C1)c1cc(nc(n1)[*:1])-c1ccccn1
Cc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1 CC(C)C[*:1] Cc1cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1-c1ccccc1
Cc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1[*:1]
Cc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1 CC(C)CC[*:1] Cc1cn2c3c(=O)n(c(=O)n(C)c3nc2n1-c1ccccc1)[*:1]
Cc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1 CC(C)[*:1] Cc1cn2c3c(=O)n(CC[*:1])c(=O)n(C)c3nc2n1-c1ccccc1
CCOc1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)ccc1OC(F)F FC(F)[*:1] CCOc1cc(ccc1O[*:1])C[NH+]1CCC(CC1)c1cc[nH]n1
CCOc1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)ccc1OC(F)F c1cc(n[nH]1)[*:1] CCOc1cc(ccc1OC(F)F)C[NH+]1CCC(CC1)[*:1]
CCOc1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(ccc1[*:1])C[NH+]1CCC(CC1)c1cc[nH]n1
CCOc1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)ccc1OC(F)F CCO[*:1] FC(F)Oc1ccc(cc1[*:1])C[NH+]1CCC(CC1)c1cc[nH]n1
Cc1ccc(NC(=O)Nc2nnc(C(C)C)s2)cc1NC(=O)Nc1nnc(C(C)C)s1 CC(C)c1nnc(s1)[*:1] Cc1ccc(cc1NC(=O)Nc1nnc(s1)C(C)C)NC(=O)N[*:1]
Cc1ccc(NC(=O)Nc2nnc(C(C)C)s2)cc1NC(=O)Nc1nnc(C(C)C)s1 CC(C)c1nnc(s1)[*:1] Cc1ccc(cc1NC(=O)N[*:1])NC(=O)Nc1nnc(s1)C(C)C
Cc1ccc(NC(=O)Nc2nnc(C(C)C)s2)cc1NC(=O)Nc1nnc(C(C)C)s1 CC(C)[*:1] Cc1ccc(cc1NC(=O)Nc1nnc(s1)C(C)C)NC(=O)Nc1nnc(s1)[*:1]
Cc1ccc(NC(=O)Nc2nnc(C(C)C)s2)cc1NC(=O)Nc1nnc(C(C)C)s1 CC(C)[*:1] Cc1ccc(cc1NC(=O)Nc1nnc(s1)[*:1])NC(=O)Nc1nnc(s1)C(C)C
C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC(C)(C)C#N)cc1 C[C@H]1C[C@H]1C(=O)N[*:1] CC(C)(C#N)NC(=O)c1ccc(cc1)[*:1]
C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC(C)(C)C#N)cc1 CC(C)(C#N)[*:1] C[C@H]1C[C@H]1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N1CCCN(c2ncccc2C#N)CC1 N#Cc1cccnc1[*:1] C[C@@H](O)CC(C)(C)CNC(=O)N1CCCN(CC1)[*:1]
Cc1ccc(NC(=O)c2ccn(Cn3cc([N+](=O)[O-])cn3)n2)c(C)c1 O=[N+]([O-])c1cnn(c1)[*:1] Cc1ccc(NC(=O)c2ccn(C[*:1])n2)c(C)c1
Cc1ccc(NC(=O)c2ccn(Cn3cc([N+](=O)[O-])cn3)n2)c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)c2ccn(Cn3cc(cn3)[*:1])n2)c(C)c1
Cc1ccc(NC(=O)c2ccn(Cn3cc([N+](=O)[O-])cn3)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])c1ccn(Cn2cc(cn2)[N+](=O)[O-])n1
C[C@@H]1CCCN(c2ncnc(NC3CCCC3)c2N)C1 C1CCC(C1)[*:1] C[C@@H]1CCCN(C1)c1ncnc(N[*:1])c1N
C[C@@H]1CCCN(c2ncnc(NC3CCCC3)c2N)C1 C1CCC(C1)N[*:1] C[C@@H]1CCCN(C1)c1ncnc(c1N)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)NCc2cccnc2)c1 CNC(=O)[*:1] COc1ccc(cc1NC(=O)NCc1cccnc1)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)NCc2cccnc2)c1 c1cncc(c1)[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)NC[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)NCc2cccnc2)c1 c1cncc(c1)C[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N[*:1]
Cc1nsc(NC(=O)N2CCCC[C@@H]2c2cccc(F)c2)n1 Cc1nsc(n1)[*:1] O=C(N[*:1])N1CCCC[C@@H]1c1cccc(F)c1
Cc1nsc(NC(=O)N2CCCC[C@@H]2c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] Cc1nsc(n1)NC(=O)N1CCCC[C@H]1[*:1]
O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=c1ccc2c(CCC[C@H]2[NH2+]C[C@@H](O)CS(=O)(=O)[*:1])[nH]1
O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 O=S(=O)(c1cccs1)[*:1] O=c1ccc2c(CCC[C@H]2[NH2+]C[C@@H](O)C[*:1])[nH]1
CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCCN(CC1)C(=O)[*:1]
COc1ccc(NC(=O)[C@@H](C)n2cccn2)cc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 COc1ccc(cc1[*:1])NC(=O)[C@@H](C)n1cccn1
COc1ccc(NC(=O)[C@@H](C)n2cccn2)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)[*:1])NC(=O)[C@@H](C)n1cccn1
COc1ccc(NC(=O)[C@@H](C)n2cccn2)cc1NC(=O)c1ccccc1 c1cnn(c1)[*:1] COc1ccc(cc1NC(=O)c1ccccc1)NC(=O)[C@@H](C)[*:1]
CC(C)[C@H]1CCC[C@@]2(CC1)CC(=O)NC(=O)[C@@H]2C(C)C CC(C)[*:1] CC(C)[C@H]1CCC[C@@]2(CC1)CC(=O)NC(=O)[C@H]2[*:1]
CC(C)[C@H]1CCC[C@@]2(CC1)CC(=O)NC(=O)[C@@H]2C(C)C CC(C)[*:1] CC(C)[C@H]1C(=O)NC(=O)C[C@]12CCC[C@@H](CC2)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC(=O)[O-])C2=O O=C([O-])[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[*:1])C2=O
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC(=O)[O-])C2=O O=C([O-])C[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C2=O)[*:1]
CC[NH2+][C@H]1[C@@H](CN(Cc2cccs2)C(C)C)CCC1(C)C c1csc(c1)C[*:1] CC[NH2+][C@H]1[C@H](CCC1(C)C)CN(C(C)C)[*:1]
CC[NH2+][C@H]1[C@@H](CN(Cc2cccs2)C(C)C)CCC1(C)C CC(C)[*:1] CC[NH2+][C@H]1[C@H](CCC1(C)C)CN(Cc1cccs1)[*:1]
CC[NH2+][C@H]1[C@@H](CN(Cc2cccs2)C(C)C)CCC1(C)C c1csc(c1)[*:1] CC[NH2+][C@H]1[C@H](CCC1(C)C)CN(C[*:1])C(C)C
CN(Cc1ccc(O)c(Cl)c1)Cc1[nH+]ccn1Cc1ccccc1 c1ccc(cc1)C[*:1] CN(Cc1ccc(O)c(Cl)c1)Cc1[nH+]ccn1[*:1]
CN(Cc1ccc(O)c(Cl)c1)Cc1[nH+]ccn1Cc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(O)c(Cl)c1)Cc1[nH+]ccn1C[*:1]
CN(Cc1ccc(O)c(Cl)c1)Cc1[nH+]ccn1Cc1ccccc1 Oc1ccc(cc1Cl)[*:1] CN(Cc1[nH+]ccn1Cc1ccccc1)C[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCN(C)C[C@@H]2C(C)C)n1 Cc1cc(F)ccc1[*:1] CC(C)[C@H]1CN(C)CCN1C(=O)c1nn(cc1[O-])[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCN(C)C[C@@H]2C(C)C)n1 CC(C)[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)N1CCN(C)C[C@H]1[*:1]
CCCC(=O)Nc1ccc(NC=C(C#N)C#N)cc1 CCCC(=O)N[*:1] N#CC(C#N)=CNc1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(NC=C(C#N)C#N)cc1 CCC[*:1] N#CC(C#N)=CNc1ccc(cc1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(NC=C(C#N)C#N)cc1 N#CC(C#N)=C[*:1] CCCC(=O)Nc1ccc(cc1)N[*:1]
CN1C(=O)[C@@H]2N=C(c3cccc([N+](=O)[O-])c3)C(O)=C2N(C)C1=O O=[N+]([O-])[*:1] CN1C(=O)[C@@H]2N=C(C(O)=C2N(C)C1=O)c1cccc(c1)[*:1]
COc1ccccc1N1CCN(C[C@@H]2C=NN=C2c2ccc(F)cc2)CC1 COc1ccccc1[*:1] Fc1ccc(cc1)C1=NN=C[C@H]1CN1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C[C@@H]2C=NN=C2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C[C@@H]1C=NN=C1[*:1]
C[C@H](Sc1ccc(Cl)cc1)C(=O)OCCN1CCCC1=O Clc1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)OCCN1CCCC1=O
C[C@H](Sc1ccc(Cl)cc1)C(=O)OCCN1CCCC1=O O=C1CCCN1[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)OCC[*:1]
C[C@H](Sc1ccc(Cl)cc1)C(=O)OCCN1CCCC1=O O=C1CCCN1C[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)OC[*:1]
CCOC(=O)CNC(=O)c1ccc(-n2ccnn2)cc1 CCOC(=O)C[*:1] O=C(N[*:1])c1ccc(cc1)-n1ccnn1
CCOC(=O)CNC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CCOC(=O)CNC(=O)c1ccc(cc1)[*:1]
CCOC(=O)CNC(=O)c1ccc(-n2ccnn2)cc1 CCOC(=O)[*:1] O=C(NC[*:1])c1ccc(cc1)-n1ccnn1
CCC(=O)N1CCc2cc(C(=O)N[C@H](C#N)c3ccccc3C)ccc21 Cc1ccccc1[*:1] CCC(=O)N1CCc2cc(ccc21)C(=O)N[C@H](C#N)[*:1]
Cc1ccsc1C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 Brc1cccc(c1)[*:1] Cc1ccsc1C(=O)NNC(=O)[C@@H](C)O[*:1]
Cc1ccsc1C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 Cc1ccsc1[*:1] C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[*:1]
CN1CCn2c([nH+]c3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc32)C1 Clc1ccc(cc1)[*:1] CN1CCn2c(C1)[nH+]c1cc(ccc12)[N-]S(=O)(=O)[*:1]
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2cccnc2)c1 CC[C@H](C#N)O[*:1] C[C@@H](c1cccnc1)N(C)C(=O)NCc1cccc(c1)[*:1]
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2cccnc2)c1 c1cncc(c1)[*:1] CC[C@H](C#N)Oc1cccc(c1)CNC(=O)N(C)[C@@H](C)[*:1]
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@@H](C)c2cccnc2)c1 C[C@@H](c1cccnc1)[*:1] CC[C@H](C#N)Oc1cccc(c1)CNC(=O)N(C)[*:1]
Cc1n[nH]c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])n1 O=C([O-])[*:1] Cc1n[nH]c(n1)C(=O)N1CCCC[C@H]1CC[*:1]
Cc1n[nH]c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])n1 Cc1n[nH]c(n1)[*:1] O=C([O-])CC[C@@H]1CCCCN1C(=O)[*:1]
Cc1n[nH]c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])n1 O=C([O-])CC[*:1] Cc1n[nH]c(n1)C(=O)N1CCCC[C@@H]1[*:1]
Cc1n[nH]c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])n1 O=C([O-])C[*:1] Cc1n[nH]c(n1)C(=O)N1CCCC[C@H]1C[*:1]
COCCN(CC(C)C)C(=O)N[C@@H](C)c1nnc2ccccn12 COCC[*:1] CC(C)CN(C(=O)N[C@@H](C)c1nnc2ccccn12)[*:1]
COCCN(CC(C)C)C(=O)N[C@@H](C)c1nnc2ccccn12 CC(C)[*:1] COCCN(C[*:1])C(=O)N[C@@H](C)c1nnc2ccccn12
COCCN(CC(C)C)C(=O)N[C@@H](C)c1nnc2ccccn12 CC(C)C[*:1] COCCN(C(=O)N[C@@H](C)c1nnc2ccccn12)[*:1]
COCCN(CC(C)C)C(=O)N[C@@H](C)c1nnc2ccccn12 COC[*:1] CC(C)CN(C[*:1])C(=O)N[C@@H](C)c1nnc2ccccn12
Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3c(Cl)cccc32)c(Cl)n1 Cc1ccc(c(Cl)n1)[*:1] O=C(N[C@H]1CCc2c(Cl)cccc21)C(=O)N[*:1]
C#CCOc1ccc2ccccc2c1C[NH+]1CCC(n2cccn2)CC1 C#CCO[*:1] c1ccc2c(C[NH+]3CCC(CC3)n3cccn3)c(ccc2c1)[*:1]
C#CCOc1ccc2ccccc2c1C[NH+]1CCC(n2cccn2)CC1 c1cnn(c1)[*:1] C#CCOc1ccc2ccccc2c1C[NH+]1CCC(CC1)[*:1]
C#CCOc1ccc2ccccc2c1C[NH+]1CCC(n2cccn2)CC1 C#CC[*:1] c1ccc2c(C[NH+]3CCC(CC3)n3cccn3)c(ccc2c1)O[*:1]
CC(C)NC(=O)C(C)(C)Br CC(C)[*:1] CC(C)(Br)C(=O)N[*:1]
CC(C)N(CCCO)C(=O)N1CCCCC1 OCCC[*:1] CC(C)N(C(=O)N1CCCCC1)[*:1]
CC(C)N(CCCO)C(=O)N1CCCCC1 OCC[*:1] CC(C)N(C[*:1])C(=O)N1CCCCC1
CC(C)N(CCCO)C(=O)N1CCCCC1 CC(C)[*:1] O=C(N1CCCCC1)N(CCCO)[*:1]
O=C1[C@@H]2CN(c3nc4ccccc4o3)C[C@]2(C(=O)[O-])CN1CC1CC1 C1CC1[*:1] O=C1[C@@H]2CN(C[C@@]2(CN1C[*:1])C(=O)[O-])c1nc2ccccc2o1
O=C1[C@@H]2CN(c3nc4ccccc4o3)C[C@]2(C(=O)[O-])CN1CC1CC1 O=C([O-])[*:1] O=C1[C@@H]2CN(C[C@@]2(CN1CC1CC1)[*:1])c1nc2ccccc2o1
O=C1[C@@H]2CN(c3nc4ccccc4o3)C[C@]2(C(=O)[O-])CN1CC1CC1 C1CC1C[*:1] O=C1[C@@H]2CN(C[C@@]2(CN1[*:1])C(=O)[O-])c1nc2ccccc2o1
COc1cc(C)ccc1-[n+]1c(-c2ccccc2)csc1NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] COc1cc(C)ccc1-[n+]1c(csc1NC[C@@H]1CCCO1)[*:1]
COc1cc(C)ccc1-[n+]1c(-c2ccccc2)csc1NC[C@@H]1CCCO1 COc1cc(C)ccc1[*:1] c1ccc(cc1)-c1csc(NC[C@@H]2CCCO2)[n+]1[*:1]
Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCOCC1)c1cc(nc2ccccc12)[*:1]
C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)CSc1ccc(Cl)cc1)[*:1]
C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)c1ccc(cc1)CSc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(S(N)(=O)=O)cc1 Clc1ccc(cc1)SC[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(S(N)(=O)=O)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)CS[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(S(N)(=O)=O)cc1 Clc1ccc(cc1)S[*:1] C[C@@H](NC(=O)c1ccc(cc1)C[*:1])c1ccc(cc1)S(N)(=O)=O
COc1ccccc1N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 NC(=O)[*:1] COc1ccccc1N1CCN(CC1)CC(=O)Nc1sc2CCCc2c1[*:1]
COc1ccccc1N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 COc1ccccc1[*:1] NC(=O)c1c(NC(=O)CN2CCN(CC2)[*:1])sc2CCCc21
FC(F)COc1cccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)n1 FC(F)C[*:1] Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(n1)O[*:1]
FC(F)COc1cccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)n1 FC(F)CO[*:1] Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(n1)[*:1]
FC(F)COc1cccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)n1 FC(F)[*:1] Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(n1)OC[*:1]
CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 O=C([O-])[*:1] CC(C)(c1ccc(cc1)[N-]S(=O)(=O)c1c(F)cc(F)cc1F)[*:1]
CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 CC(C)(C(=O)[O-])[*:1] O=S(=O)([N-]c1ccc(cc1)[*:1])c1c(F)cc(F)cc1F
COc1ccccc1CNC(=O)[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 COc1ccccc1[*:1] C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[*:1]
COc1ccccc1CNC(=O)[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 COc1ccccc1C[*:1] C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[*:1]
CCc1nncn1CCNC(=O)N1CCC[C@H]1c1ccccc1Cl CCc1nncn1[*:1] O=C(NCC[*:1])N1CCC[C@H]1c1ccccc1Cl
CCc1nncn1CCNC(=O)N1CCC[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] CCc1nncn1CCNC(=O)N1CCC[C@@H]1[*:1]
CCc1nncn1CCNC(=O)N1CCC[C@H]1c1ccccc1Cl CCc1nncn1C[*:1] O=C(NC[*:1])N1CCC[C@H]1c1ccccc1Cl
O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 FC(F)(F)[*:1] O=C(NC[C@H](O)COc1cccc(c1)[*:1])[C@@H]1CCCO1
O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(NC[C@H](O)COc1cccc(c1)C(F)(F)F)[*:1]
O=C(N[C@@H]1CCCNC1=O)c1ccc(OCC(F)F)nc1 FC(F)[*:1] O=C(N[C@@H]1CCCNC1=O)c1ccc(nc1)OC[*:1]
O=C(N[C@@H]1CCCNC1=O)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] O=C(N[C@@H]1CCCNC1=O)c1ccc(nc1)O[*:1]
O=C(N[C@@H]1CCCNC1=O)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] O=C(N[C@@H]1CCCNC1=O)c1ccc(nc1)[*:1]
O=C(N[C@@H]1CCCNC1=O)c1ccc(OCC(F)F)nc1 O=C1NCCC[C@H]1[*:1] O=C(N[*:1])c1ccc(nc1)OCC(F)F
O=C(CCc1cccc(Br)c1)N1CCN(Cc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(CCc1cccc(Br)c1)N1CCN(CC1)C[*:1]
O=C(CCc1cccc(Br)c1)N1CCN(Cc2ccccn2)CC1 Brc1cccc(c1)C[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccccn1
O=C(CCc1cccc(Br)c1)N1CCN(Cc2ccccn2)CC1 Brc1cccc(c1)[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1ccccn1
O=C(CCc1cccc(Br)c1)N1CCN(Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 O=C(CCc1cccc(Br)c1)N1CCN(CC1)[*:1]
Cc1ccc([C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C2CC2)cc1 Cc1ccc(cc1)[*:1] Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C1CC1)[*:1]
Cc1ccc([C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)[*:1]
Cn1ncc2c(=O)n(CCCC#N)nnc21 N#CC[*:1] Cn1ncc2c(=O)n(CC[*:1])nnc21
Cn1ncc2c(=O)n(CCCC#N)nnc21 N#CCC[*:1] Cn1ncc2c(=O)n(C[*:1])nnc21
Cn1ncc2c(=O)n(CCCC#N)nnc21 N#CCCC[*:1] Cn1ncc2c(=O)n(nnc21)[*:1]
CC[C@H](C)n1ncc(C(=O)N2CCC(NS(C)(=O)=O)CC2)c1C1CC1 CS(=O)(=O)N[*:1] CC[C@H](C)n1ncc(C(=O)N2CCC(CC2)[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)N2CCC(NS(C)(=O)=O)CC2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)N2CCC(CC2)NS(C)(=O)=O)c1[*:1]
CCc1ccc([C@@H]2[NH+]=NC=C2C[NH2+]Cc2cccs2)cc1 c1csc(c1)C[NH2+][*:1] CCc1ccc(cc1)[C@@H]1[NH+]=NC=C1C[*:1]
CCc1ccc([C@@H]2[NH+]=NC=C2C[NH2+]Cc2cccs2)cc1 c1csc(c1)[*:1] CCc1ccc(cc1)[C@@H]1[NH+]=NC=C1C[NH2+]C[*:1]
CCc1ccc([C@@H]2[NH+]=NC=C2C[NH2+]Cc2cccs2)cc1 c1csc(c1)C[*:1] CCc1ccc(cc1)[C@@H]1[NH+]=NC=C1C[NH2+][*:1]
Cc1cn2c(C[NH+]3CCC(N4CCCC4=O)CC3)c(C)nc2s1 O=C1CCCN1[*:1] Cc1cn2c(C[NH+]3CCC(CC3)[*:1])c(C)nc2s1
O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCCO OCCC[*:1] O=c1ccc(nn1[*:1])-c1cccc(c1)[N+](=O)[O-]
O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCCO OCC[*:1] O=c1ccc(nn1C[*:1])-c1cccc(c1)[N+](=O)[O-]
O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCCO O=[N+]([O-])[*:1] O=c1ccc(nn1CCCO)-c1cccc(c1)[*:1]
C[C@@H](CCS)CCOc1c(F)c(F)c(F)c(F)c1F SCC[*:1] C[C@@H](CCOc1c(F)c(F)c(F)c(F)c1F)[*:1]
C[C@@H](CCS)CCOc1c(F)c(F)c(F)c(F)c1F C[C@@H](CCS)C[*:1] Fc1c(F)c(F)c(OC[*:1])c(F)c1F
C[C@@H](CCS)CCOc1c(F)c(F)c(F)c(F)c1F C[C@@H](CCS)[*:1] Fc1c(F)c(F)c(OCC[*:1])c(F)c1F
CCCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1 CCC[*:1] C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(cc1)[*:1]
CCCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] CCCc1ccc(cc1)NC(=O)[C@H](C)NS(=O)(=O)[*:1]
CC[NH+](Cc1ncc(-c2cccc(Cl)c2)o1)CC(C)(C)O Clc1cccc(c1)[*:1] CC[NH+](Cc1ncc(o1)[*:1])CC(C)(C)O
CC[NH+](Cc1ncc(-c2cccc(Cl)c2)o1)CC(C)(C)O CC(C)(O)C[*:1] CC[NH+](Cc1ncc(o1)-c1cccc(Cl)c1)[*:1]
CC[NH+](Cc1ncc(-c2cccc(Cl)c2)o1)CC(C)(C)O CC(C)(O)[*:1] CC[NH+](Cc1ncc(o1)-c1cccc(Cl)c1)C[*:1]
CCOc1ncnc(Oc2ccc(Br)cc2F)c1N CCO[*:1] Nc1c(ncnc1[*:1])Oc1ccc(Br)cc1F
CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)o1 Clc1ccccc1[*:1] CC(=O)NCc1ccc(o1)-c1csc(n1)NC(=O)[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)o1 CC(=O)N[*:1] O=C(Nc1nc(cs1)-c1ccc(C[*:1])o1)c1ccccc1Cl
CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)o1 CC(=O)NC[*:1] O=C(Nc1nc(cs1)-c1ccc(o1)[*:1])c1ccccc1Cl
COC(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(OC)cccc3s2)cc1 COC(=O)[*:1] COc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(OC)cccc3s2)cc1 COC(=O)c1ccc(cc1)[*:1] COc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc2[nH]ccc2c1 FC(F)(F)[*:1] O=C(NNc1ccccc1[*:1])Nc1ccc2[nH]ccc2c1
COc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)cc1 COc1ccc(cc1)C[*:1] Cc1cccn2c(=O)c3cc(C(=O)N[*:1])n(C)c3nc12
COc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)cc1 COc1ccc(cc1)[*:1] Cc1cccn2c(=O)c3cc(C(=O)NC[*:1])n(C)c3nc12
Cc1cc([C@](C)(O)CNC(=O)c2ccc3c(n2)CCCC3)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@](O)(CNC(=O)c1ccc2CCCCc2n1)[*:1]
COc1ccc2c(C)cc3nn(CN4CCN(c5ncccn5)CC4)c(=S)n3c2c1 c1cnc(nc1)[*:1] COc1ccc2c(C)cc3nn(CN4CCN(CC4)[*:1])c(=S)n3c2c1
CCc1nc([C@@H](C)NC(=O)Nc2c(C)nn(CC)c2C)cs1 CCc1nc(cs1)[*:1] CCn1nc(C)c(NC(=O)N[C@H](C)[*:1])c1C
C[C@H](NC(=O)CC1CCCC1)[C@@H](C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](NC(=O)CC1CCCC1)[C@@H](C)[*:1]
C[C@H](NC(=O)CC1CCCC1)[C@@H](C)N1CCOCC1 C1CCC(C1)[*:1] C[C@H](NC(=O)C[*:1])[C@@H](C)N1CCOCC1
C[C@H](NC(=O)CC1CCCC1)[C@@H](C)N1CCOCC1 C1CCC(C1)C[*:1] C[C@H](NC(=O)[*:1])[C@@H](C)N1CCOCC1
CC[C@@H](C)NC(=O)CCNC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] CC[C@@H](C)NC(=O)CCNC(=O)N1CCOC[C@@H]1[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N1CCOC[C@H]1C1CC1 CC[C@@H](C)[*:1] O=C(CCNC(=O)N1CCOC[C@H]1C1CC1)N[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N1CCOC[C@H]1C1CC1 CC[C@@H](C)NC(=O)[*:1] O=C(NCC[*:1])N1CCOC[C@H]1C1CC1
C[C@H]1CCC[C@@H](O[C@@H](C)C(=O)NNc2cccnc2Cl)C1 C[C@H]1CCC[C@@H](C1)[*:1] C[C@H](O[*:1])C(=O)NNc1cccnc1Cl
C[C@H]1CCC[C@@H](O[C@@H](C)C(=O)NNc2cccnc2Cl)C1 Clc1ncccc1[*:1] C[C@H]1CCC[C@H](C1)O[C@@H](C)C(=O)NN[*:1]
C[C@@H](Cn1nnnc1C1C(C)(C)C1(C)C)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Cn1nnnc1C1C(C)(C)C1(C)C)[*:1]
CC(C)c1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1ccc(Cl)cc1Cl CC(C)[*:1] C[C@@H](C(=O)Nc1ccccc1[*:1])[S@](=O)Cc1ccc(Cl)cc1Cl
CC(C)c1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] CC(C)c1ccccc1NC(=O)[C@H](C)[S@](=O)C[*:1]
Cc1nn(Cc2cccc(C(=O)Nc3cnn(CC[NH+](C)C)c3)c2)c(C)c1Cl Cc1nn(C[*:1])c(C)c1Cl C[NH+](C)CCn1cc(cn1)NC(=O)c1cccc(c1)[*:1]
Cc1nn(Cc2cccc(C(=O)Nc3cnn(CC[NH+](C)C)c3)c2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] C[NH+](C)CCn1cc(cn1)NC(=O)c1cccc(c1)C[*:1]
C[C@@H](CNC(=O)Nc1cccc(C2SCCS2)c1)C[NH+]1CCCC1 C1CSC(S1)[*:1] C[C@@H](CNC(=O)Nc1cccc(c1)[*:1])C[NH+]1CCCC1
COCCNC(=O)c1c(NC(=O)Cc2coc3ccc(C)cc23)sc2c1CCCC2 COCC[*:1] Cc1ccc2occ(CC(=O)Nc3sc4CCCCc4c3C(=O)N[*:1])c2c1
COCCNC(=O)c1c(NC(=O)Cc2coc3ccc(C)cc23)sc2c1CCCC2 Cc1ccc2occ(c2c1)[*:1] COCCNC(=O)c1c(NC(=O)C[*:1])sc2CCCCc21
COCCNC(=O)c1c(NC(=O)Cc2coc3ccc(C)cc23)sc2c1CCCC2 COC[*:1] Cc1ccc2occ(CC(=O)Nc3sc4CCCCc4c3C(=O)NC[*:1])c2c1
COCCNC(=O)c1c(NC(=O)Cc2coc3ccc(C)cc23)sc2c1CCCC2 COCCNC(=O)[*:1] Cc1ccc2occ(CC(=O)Nc3sc4CCCCc4c3[*:1])c2c1
N#CCOc1ccc(/C=C/C(=O)Nc2cn[nH]c2)cc1 c1n[nH]cc1[*:1] N#CCOc1ccc(/C=C/C(=O)N[*:1])cc1
N#CCOc1ccc(/C=C/C(=O)Nc2cn[nH]c2)cc1 N#CCO[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1cn[nH]c1
N#CCOc1ccc(/C=C/C(=O)Nc2cn[nH]c2)cc1 N#CC[*:1] O=C(/C=C/c1ccc(cc1)O[*:1])Nc1cn[nH]c1
O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccccc2)cc1 O=[N+]([O-])[*:1] OC[C@H](Nc1ccc(cc1)[*:1])c1ccccc1
O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)N[C@@H](CO)[*:1]
Cc1cc(NC(=O)C(=O)NCC(C)C)n(C2=NC(=O)CC(C(C)C)=N2)n1 CC(C)[*:1] Cc1cc(NC(=O)C(=O)NC[*:1])n(n1)C1N=C(CC(=O)N=1)C(C)C
Cc1cc(NC(=O)C(=O)NCC(C)C)n(C2=NC(=O)CC(C(C)C)=N2)n1 CC(C)[*:1] Cc1cc(NC(=O)C(=O)NCC(C)C)n(n1)C1=NC(=O)CC(=N1)[*:1]
Cc1cc(NC(=O)C(=O)NCC(C)C)n(C2=NC(=O)CC(C(C)C)=N2)n1 CC(C)C[*:1] Cc1cc(NC(=O)C(=O)N[*:1])n(n1)C1N=C(CC(=O)N=1)C(C)C
CSc1nsc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)n1 O=C(N[*:1])c1ccco1 CSc1nsc(n1)NC(=O)c1ccc(cc1)[*:1]
CSc1nsc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)n1 c1coc(c1)[*:1] CSc1nsc(n1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CSc1nsc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)n1 CSc1nsc(n1)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1ccco1
CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCn1cnnc1C1CC1 C1CC1[*:1] CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCn1cnnc1[*:1]
Cc1[nH]ncc1CCCNc1ncnc2cc(F)c(F)cc12 Cc1[nH]ncc1C[*:1] Fc1cc2ncnc(NCC[*:1])c2cc1F
Cc1[nH]ncc1CCCNc1ncnc2cc(F)c(F)cc12 Cc1[nH]ncc1[*:1] Fc1cc2ncnc(NCCC[*:1])c2cc1F
CC(=O)Nc1cc(NC(=O)CC[C@@H](C)O)ccc1C C[C@@H](O)CC[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)[*:1]
CC(=O)Nc1cc(NC(=O)CC[C@@H](C)O)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)CC[C@@H](C)O
CC(=O)Nc1cc(NC(=O)CC[C@@H](C)O)ccc1C C[C@@H](O)[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)CC[*:1]
CC(=O)Nc1cc(NC(=O)CC[C@@H](C)O)ccc1C C[C@@H](O)C[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)C[*:1]
NC(=O)[C@@H]1CCN(C(=O)COCC(F)(F)F)c2ccccc21 FC(F)(F)CO[*:1] NC(=O)[C@@H]1CCN(C(=O)C[*:1])c2ccccc21
NC(=O)[C@@H]1CCN(C(=O)COCC(F)(F)F)c2ccccc21 FC(F)(F)[*:1] NC(=O)[C@@H]1CCN(C(=O)COC[*:1])c2ccccc21
NC(=O)[C@@H]1CCN(C(=O)COCC(F)(F)F)c2ccccc21 FC(F)(F)C[*:1] NC(=O)[C@@H]1CCN(C(=O)CO[*:1])c2ccccc21
NC(=O)[C@@H]1CCN(C(=O)COCC(F)(F)F)c2ccccc21 FC(F)(F)COC[*:1] NC(=O)[C@@H]1CCN(C(=O)[*:1])c2ccccc21
NC(=O)[C@@H]1CCN(C(=O)COCC(F)(F)F)c2ccccc21 NC(=O)[*:1] O=C(COCC(F)(F)F)N1CC[C@H](c2ccccc21)[*:1]
CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(C)c(C)c2)Oc2ccccc21 Cc1ccc(cc1C)[*:1] CCS(=O)(=O)N1C[C@H](Oc2ccccc21)C(=O)N[*:1]
Cc1ccsc1[C@H](C)[NH2+]C[C@@H](O)C1CCCC1 C1CCC(C1)[*:1] Cc1ccsc1[C@H](C)[NH2+]C[C@@H](O)[*:1]
CCOc1c(Cl)cccc1NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 CCO[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)Nc1cccc(Cl)c1[*:1]
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 CC(C)[*:1] C[C@H](Oc1ccc(cc1)-c1ccccc1)C(=O)N[C@@](C)(C#N)[*:1]
CCc1ccc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)c1ccc2c(c1)CCN2C(C)=O
CCOc1cc2c(cc1OCC)CN(Cc1ncccc1C)CC2 CCO[*:1] CCOc1cc2CN(CCc2cc1[*:1])Cc1ncccc1C
CCOc1cc2c(cc1OCC)CN(Cc1ncccc1C)CC2 Cc1cccnc1C[*:1] CCOc1cc2CCN(Cc2cc1OCC)[*:1]
CCOc1cc2c(cc1OCC)CN(Cc1ncccc1C)CC2 Cc1cccnc1[*:1] CCOc1cc2CCN(Cc2cc1OCC)C[*:1]
CCOc1cc2c(cc1OCC)CN(Cc1ncccc1C)CC2 CCO[*:1] CCOc1cc2CCN(Cc2cc1[*:1])Cc1ncccc1C
Cc1ccc2c(c1)nc(C1CCC(C[NH3+])CC1)n2C(C)C CC(C)[*:1] Cc1ccc2c(c1)nc(C1CCC(C[NH3+])CC1)n2[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)/N=C2/CCCCCN2)ccc1NCC1CCCCC1 C1CCC(CC1)[*:1] O=[N+]([O-])c1cc(ccc1NC[*:1])S(=O)(=O)/N=C1/CCCCCN1
O=[N+]([O-])c1cc(S(=O)(=O)/N=C2/CCCCCN2)ccc1NCC1CCCCC1 C1CCC(CC1)CN[*:1] O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)/N=C1/CCCCCN1
O=[N+]([O-])c1cc(S(=O)(=O)/N=C2/CCCCCN2)ccc1NCC1CCCCC1 C1CCC(CC1)C[*:1] O=[N+]([O-])c1cc(ccc1N[*:1])S(=O)(=O)/N=C1/CCCCCN1
O=[N+]([O-])c1cc(S(=O)(=O)/N=C2/CCCCCN2)ccc1NCC1CCCCC1 O=[N+]([O-])[*:1] O=S(=O)(/N=C1/CCCCCN1)c1ccc(NCC2CCCCC2)c(c1)[*:1]
Cc1cccc(C2=CCN(C(=O)NCCOCC(F)(F)F)CC2)c1 FC(F)(F)C[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NCCO[*:1]
Cc1cccc(C2=CCN(C(=O)NCCOCC(F)(F)F)CC2)c1 FC(F)(F)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NCCOC[*:1]
Cc1cccc(C2=CCN(C(=O)NCCOCC(F)(F)F)CC2)c1 FC(F)(F)CO[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NCC[*:1]
Cc1cccc(C2=CCN(C(=O)NCCOCC(F)(F)F)CC2)c1 FC(F)(F)COCC[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)N[*:1]
Cc1cccc(C2=CCN(C(=O)NCCOCC(F)(F)F)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCCOCC(F)(F)F)N1CC=C(CC1)[*:1]
Cc1cccc(C2=CCN(C(=O)NCCOCC(F)(F)F)CC2)c1 FC(F)(F)COC[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NC[*:1]
COC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(N)=O COC[C@@H](C(N)=O)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])N[*:1]
COC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(N)=O COC[*:1] NC(=O)[C@H](NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[*:1]
COC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[*:1]
COC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(N)=O O=[N+]([O-])[*:1] COC[C@@H](NC(=O)/C=C/c1ccc(cc1)[*:1])C(N)=O
CC(=O)c1ccnc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1 O=[N+]([O-])[*:1] CC(=O)c1ccnc(c1)Oc1c(Cl)cc(cc1Cl)[*:1]
CC(=O)c1ccnc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1 CC(=O)[*:1] O=[N+]([O-])c1cc(Cl)c(Oc2cc(ccn2)[*:1])c(Cl)c1
CSc1ncc(C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)n1-c1ccccc1 Cc1nn(C)c(C)c1[*:1] CSc1ncc(C(=O)O[C@@H](C)C(=O)N[*:1])n1-c1ccccc1
CSc1ncc(C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)n1-c1ccccc1 c1ccc(cc1)[*:1] CSc1ncc(C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)n1[*:1]
CCN[C@H](c1ccc(Cl)s1)C1([NH+](C)C)CCCC1 CCN[*:1] C[NH+](C)C1(CCCC1)[C@@H](c1ccc(Cl)s1)[*:1]
CCN[C@H](c1ccc(Cl)s1)C1([NH+](C)C)CCCC1 Clc1ccc(s1)[*:1] CCN[C@H](C1(CCCC1)[NH+](C)C)[*:1]
CC(C)C[C@H](C(=O)OCc1cccnc1)N1CCCCC1=O CC(C)C[*:1] O=C(OCc1cccnc1)[C@H](N1CCCCC1=O)[*:1]
CC(C)C[C@H](C(=O)OCc1cccnc1)N1CCCCC1=O c1cncc(c1)C[*:1] CC(C)C[C@H](C(=O)O[*:1])N1CCCCC1=O
CC(C)C[C@H](C(=O)OCc1cccnc1)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@H](C(=O)OCc1cccnc1)[*:1]
CC(C)C[C@H](C(=O)OCc1cccnc1)N1CCCCC1=O CC(C)[*:1] O=C(OCc1cccnc1)[C@@H](C[*:1])N1CCCCC1=O
CC(C)C[C@H](C(=O)OCc1cccnc1)N1CCCCC1=O c1cncc(c1)[*:1] CC(C)C[C@H](C(=O)OC[*:1])N1CCCCC1=O
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1C[*:1]
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccc2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1[*:1]
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(cn23)[*:1])n(C)c1=O
COCCN1[C@H](C)CN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)C[C@H]1C c1ccc(cc1)[*:1] COCCN1[C@H](C)CN(Cc2c(C)n(C)n(c2=O)[*:1])C[C@H]1C
COCCN1[C@H](C)CN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)C[C@H]1C COCC[*:1] Cc1c(CN2C[C@@H](C)N([C@H](C)C2)[*:1])c(=O)n(-c2ccccc2)n1C
COCCN1[C@H](C)CN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)C[C@H]1C COC[*:1] Cc1c(CN2C[C@@H](C)N(C[*:1])[C@H](C)C2)c(=O)n(-c2ccccc2)n1C
COCc1nn2c(nnc3c(=O)n(NC(=O)c4ccncc4)ccc32)c1-c1ccc(Cl)cc1 COC[*:1] O=C(Nn1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(nn32)[*:1])c1=O)c1ccncc1
COCc1nn2c(nnc3c(=O)n(NC(=O)c4ccncc4)ccc32)c1-c1ccc(Cl)cc1 c1cc(ccn1)[*:1] COCc1nn2c(nnc3c(=O)n(ccc32)NC(=O)[*:1])c1-c1ccc(Cl)cc1
COCc1nn2c(nnc3c(=O)n(NC(=O)c4ccncc4)ccc32)c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCc1nn2c(nnc3c(=O)n(ccc32)NC(=O)c2ccncc2)c1[*:1]
C=CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl O=[N+]([O-])[*:1] C=CCNC(=O)/C(=C\c1cccc(c1)[*:1])NC(=O)c1ccccc1Cl
C=CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] C=CCNC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])NC(=O)[*:1]
C=CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl C=CCNC(=O)[*:1] O=C(N/C(=C/c1cccc(c1)[N+](=O)[O-])[*:1])c1ccccc1Cl
C=CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl O=[N+]([O-])c1cccc(c1)[*:1] C=CCNC(=O)C(=C[*:1])NC(=O)c1ccccc1Cl
C=CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl C=CC[*:1] O=C(N[*:1])/C(=C\c1cccc(c1)[N+](=O)[O-])NC(=O)c1ccccc1Cl
CCn1nc(C)cc1C(=O)NCC(=O)NCc1cccnc1 c1cncc(c1)C[*:1] CCn1nc(C)cc1C(=O)NCC(=O)N[*:1]
CCn1nc(C)cc1C(=O)NCC(=O)NCc1cccnc1 c1cncc(c1)[*:1] CCn1nc(C)cc1C(=O)NCC(=O)NC[*:1]
COc1ccc(C(=O)NC2(C(N)=O)CCCCC2)cc1 NC(=O)[*:1] COc1ccc(cc1)C(=O)NC1(CCCCC1)[*:1]
O=S(=O)(Nc1cc(Cl)ccc1F)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)(Nc1cc(Cl)ccc1F)c1cccc(c1)[*:1]
CC(C)(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1cccs1 CC(C)(C)[*:1] O=C(N[C@H](c1cccs1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1
CC(C)(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1)[*:1]
CC(C)(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1cccs1 Fc1ccc(cc1F)[*:1] CC(C)(C)[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1cccs1
C[C@@H](C1=NC(=O)C2=C(c3ccccc3)CSC2=N1)N(C)Cc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](C1N=C2SCC(=C2C(=O)N=1)c1ccccc1)N(C)Cc1ccccc1[*:1]
C[C@@H](C1=NC(=O)C2=C(c3ccccc3)CSC2=N1)N(C)Cc1ccccc1N1CCOCC1 c1ccc(cc1)[*:1] C[C@@H](C1N=C2SCC(=C2C(=O)N=1)[*:1])N(C)Cc1ccccc1N1CCOCC1
OC1CCN(c2[nH+]cccc2NCc2cc(Cl)cc3cccnc23)CC1 OC1CCN(CC1)[*:1] Clc1cc(CNc2ccc[nH+]c2[*:1])c2ncccc2c1
CC(C)(C)n1cc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2cccnc2)cn1 CC(C)(C)[*:1] O=C([O-])[C@H]1CC(=O)N(Cc2cccnc2)[C@@H]1c1cnn(c1)[*:1]
CC(C)(C)n1cc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2cccnc2)cn1 c1cncc(c1)C[*:1] CC(C)(C)n1cc(cn1)[C@@H]1[C@H](CC(=O)N1[*:1])C(=O)[O-]
CC(C)(C)n1cc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2cccnc2)cn1 c1cncc(c1)[*:1] CC(C)(C)n1cc(cn1)[C@@H]1[C@H](CC(=O)N1C[*:1])C(=O)[O-]
CC(C)(C)n1cc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2cccnc2)cn1 O=C([O-])[*:1] CC(C)(C)n1cc(cn1)[C@@H]1[C@@H](CC(=O)N1Cc1cccnc1)[*:1]
CCC(=O)NC(=S)NNC(=O)c1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCC(=O)NC(=S)NNC(=O)c1ccc(cc1)[*:1]
COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)c1 COc1ccc(OC)c(c1)[*:1] COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1[*:1]
COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)c1 COc1ccccc1[*:1] COc1ccc(OC)c(c1)[C@@H]1C(C(=O)N[*:1])=C(C)Nc2nc3ccccc3n21
COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)c1 COc1ccccc1NC(=O)[*:1] COc1ccc(OC)c(c1)[C@@H]1C(=C(C)Nc2nc3ccccc3n21)[*:1]
O=C(NCCN1CCOCC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O C1CN(CCO1)CC[*:1] O=C(N[*:1])c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
O=C(NCCN1CCOCC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O C1CN(CCO1)C[*:1] O=C(NC[*:1])c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
O=C(NCCN1CCOCC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O C1CN(CCO1)[*:1] O=C(NCC[*:1])c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
COc1ncnc(N2CCSC[C@@H]2CC(=O)[O-])c1[N+](=O)[O-] O=C([O-])C[*:1] COc1ncnc(c1[N+](=O)[O-])N1CCSC[C@H]1[*:1]
COc1ncnc(N2CCSC[C@@H]2CC(=O)[O-])c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ncnc(c1[*:1])N1CCSC[C@@H]1CC(=O)[O-]
COc1ncnc(N2CCSC[C@@H]2CC(=O)[O-])c1[N+](=O)[O-] O=C([O-])[*:1] COc1ncnc(c1[N+](=O)[O-])N1CCSC[C@@H]1C[*:1]
O=C(CSc1ncnc2c1nnn2Cc1ccccc1)N1CCCC1 O=C(N1CCCC1)[*:1] c1ccc(cc1)Cn1nnc2c(ncnc21)SC[*:1]
O=C(CSc1ncnc2c1nnn2Cc1ccccc1)N1CCCC1 c1ccc(cc1)C[*:1] O=C(CSc1ncnc2c1nnn2[*:1])N1CCCC1
O=C(CSc1ncnc2c1nnn2Cc1ccccc1)N1CCCC1 O=C(C[*:1])N1CCCC1 c1ccc(cc1)Cn1nnc2c(ncnc21)S[*:1]
O=C(CSc1ncnc2c1nnn2Cc1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] O=C(CSc1ncnc2c1nnn2C[*:1])N1CCCC1
COc1cc2[nH]c(=S)nc(NC3CCCCC3)c2cc1OC C1CCC(CC1)N[*:1] COc1cc2[nH]c(=S)nc(c2cc1OC)[*:1]
COc1cc2[nH]c(=S)nc(NC3CCCCC3)c2cc1OC C1CCC(CC1)[*:1] COc1cc2[nH]c(=S)nc(N[*:1])c2cc1OC
CCCc1noc(C2C[NH+](CC(=O)[O-])C2)n1 CCC[*:1] O=C([O-])C[NH+]1CC(C1)c1nc(no1)[*:1]
CCCc1noc(C2C[NH+](CC(=O)[O-])C2)n1 O=C([O-])[*:1] CCCc1noc(n1)C1C[NH+](C1)C[*:1]
CCOc1ccccc1NC(=O)CNc1ccc(NC(C)=O)cc1 CCO[*:1] CC(=O)Nc1ccc(cc1)NCC(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)CNc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCOc1ccccc1NC(=O)CNc1ccc(cc1)[*:1]
CNC(=O)c1ccc(NC(=O)C[C@@H](C)c2ccc(F)cc2)cc1Cl Fc1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)C[C@@H](C)[*:1]
CNC(=O)c1ccc(NC(=O)C[C@@H](C)c2ccc(F)cc2)cc1Cl CNC(=O)[*:1] C[C@H](CC(=O)Nc1ccc(c(Cl)c1)[*:1])c1ccc(F)cc1
Cc1c(NC(=S)NC(=O)CSc2ccc(Cl)cc2)cccc1C(=O)[O-] Clc1ccc(cc1)S[*:1] Cc1c(cccc1C(=O)[O-])NC(=S)NC(=O)C[*:1]
Cc1c(NC(=S)NC(=O)CSc2ccc(Cl)cc2)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])NC(=S)NC(=O)CSc1ccc(Cl)cc1
Cc1c(NC(=S)NC(=O)CSc2ccc(Cl)cc2)cccc1C(=O)[O-] Clc1ccc(cc1)[*:1] Cc1c(cccc1C(=O)[O-])NC(=S)NC(=O)CS[*:1]
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)N(C)[*:1]
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(F)cc1 O=[N+]([O-])[*:1] C[C@H](Sc1ccc(cc1)[*:1])C(=O)N(C)Cc1ccc(F)cc1
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)N(C)C[*:1]
Cc1ccc(CN2C(=O)NC3(CC[NH+](CC(=O)Nc4nc(C)cs4)CC3)C2=O)cc1 Cc1ccc(cc1)C[*:1] Cc1csc(n1)NC(=O)C[NH+]1CCC2(CC1)NC(=O)N(C2=O)[*:1]
Cc1ccc(CN2C(=O)NC3(CC[NH+](CC(=O)Nc4nc(C)cs4)CC3)C2=O)cc1 Cc1csc(n1)NC(=O)C[*:1] Cc1ccc(cc1)CN1C(=O)NC2(CC[NH+](CC2)[*:1])C1=O
Cc1ccc(CN2C(=O)NC3(CC[NH+](CC(=O)Nc4nc(C)cs4)CC3)C2=O)cc1 Cc1csc(n1)NC(=O)[*:1] Cc1ccc(cc1)CN1C(=O)NC2(CC[NH+](CC2)C[*:1])C1=O
Cc1ccc(CN2C(=O)NC3(CC[NH+](CC(=O)Nc4nc(C)cs4)CC3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)C[NH+]1CCC2(CC1)NC(=O)N(C[*:1])C2=O
Cc1ccc(CN2C(=O)NC3(CC[NH+](CC(=O)Nc4nc(C)cs4)CC3)C2=O)cc1 Cc1csc(n1)[*:1] Cc1ccc(cc1)CN1C(=O)NC2(CC[NH+](CC2)CC(=O)N[*:1])C1=O
COc1cccc([C@H]2C(C(=O)c3nc4c(C)cccn4c3C)=C([O-])C(=O)N2CC[NH+](C)C)c1 COc1cccc(c1)[*:1] Cc1cccn2c(C)c(nc12)C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@H]1[*:1]
COc1cccc([C@H]2C(C(=O)c3nc4c(C)cccn4c3C)=C([O-])C(=O)N2CC[NH+](C)C)c1 Cc1cccn2c(C)c(nc12)[*:1] COc1cccc(c1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CC[NH+](C)C
Cc1nc(CCC[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(c1ccc(O)cc1)C1CC[NH+](CCC[*:1])CC1
Cc1nc(CCC[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(c1ccc(O)cc1)C1CC[NH+](CC1)CC[*:1]
Cc1nc(CCC[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cs1 Cc1nc(cs1)CC[*:1] O=C(c1ccc(O)cc1)C1CC[NH+](CC1)C[*:1]
Cc1nc(CCC[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cs1 Oc1ccc(cc1)[*:1] Cc1nc(cs1)CCC[NH+]1CCC(CC1)C(=O)[*:1]
COc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)Nc2cc(ccc2C)[*:1])c(c1)OC
COc1ccc(NC(=O)NC(=O)COc2cccc[n+]2[O-])cc1 [O-][n+]1ccccc1[*:1] COc1ccc(cc1)NC(=O)NC(=O)CO[*:1]
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1Cl c1csc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
COC[C@@](C)(NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@](C)(NC(=O)c1ccc2S[C@H](C)C(=O)Nc2c1)[*:1]
COC[C@@](C)(NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1ccccc1 COC[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)N[C@](C)(c1ccccc1)[*:1]
CCCCn1nc2nc(N3CC[NH2+]CC3)cc(C)c2c1C CCCC[*:1] Cc1cc(nc2nn(c(C)c12)[*:1])N1CC[NH2+]CC1
CCCCn1nc2nc(N3CC[NH2+]CC3)cc(C)c2c1C CCC[*:1] Cc1cc(nc2nn(C[*:1])c(C)c12)N1CC[NH2+]CC1
O=C(/C=C/c1c(F)cccc1F)N1CCN(c2ncccc2F)CC1 Fc1cccc(F)c1[*:1] O=C(C=C[*:1])N1CCN(CC1)c1ncccc1F
O=C(/C=C/c1c(F)cccc1F)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=C(/C=C/c1c(F)cccc1F)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cn1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)c(C)c1 c1cc(ccn1)[*:1] Cc1ccc(NC(=O)CSc2nnc(n2C)[*:1])c(C)c1
O=C(Cn1cnc2ccccc21)N/N=C/c1ccccc1Br Brc1ccccc1[*:1] O=C(Cn1cnc2ccccc21)NN=C[*:1]
Cc1cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc2cc(C)on2)no1 Cc1cc(no1)NC(=O)[*:1] Cc1cc(no1)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[*:1]
Cc1cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc2cc(C)on2)no1 Cc1cc(no1)[*:1] Cc1cc(no1)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N[*:1]
COc1ccsc1C[NH+](C(C)C)C1CCOCC1 CC(C)[*:1] COc1ccsc1C[NH+](C1CCOCC1)[*:1]
COc1ccsc1C[NH+](C(C)C)C1CCOCC1 C1CC(CCO1)[*:1] COc1ccsc1C[NH+](C(C)C)[*:1]
COCCN(C1CC1)[C@@H]1CCC(C)(C)[C@H]1[NH3+] COCC[*:1] CC1(C)CC[C@H]([C@@H]1[NH3+])N(C1CC1)[*:1]
COCCN(C1CC1)[C@@H]1CCC(C)(C)[C@H]1[NH3+] C1CC1[*:1] COCCN([C@@H]1CCC(C)(C)[C@H]1[NH3+])[*:1]
COCCN(C1CC1)[C@@H]1CCC(C)(C)[C@H]1[NH3+] COC[*:1] CC1(C)CC[C@H]([C@@H]1[NH3+])N(C[*:1])C1CC1
COC(=O)Cn1ccc(=[NH2+])cc1 COC(=O)[*:1] [NH2+]=c1ccn(cc1)C[*:1]
COc1ccc(NC(=O)[C@@H]2[C@@H]3NC(=S)N[C@@]2(C)Oc2ccccc23)cc1 COc1ccc(cc1)[*:1] C[C@]12NC(=S)N[C@H](c3ccccc3O1)[C@H]2C(=O)N[*:1]
Cn1c(C(=O)NCCNC(=O)Cc2ccc3c(c2)OCCCO3)cc2ccccc21 Cn1c(cc2ccccc21)[*:1] O=C(Cc1ccc2OCCCOc2c1)NCCNC(=O)[*:1]
O=C(NCCNc1ncccn1)Nc1cccc(N2CCOCC2)c1 C1CN(CCO1)[*:1] O=C(NCCNc1ncccn1)Nc1cccc(c1)[*:1]
O=C(NCCNc1ncccn1)Nc1cccc(N2CCOCC2)c1 c1cnc(nc1)[*:1] O=C(NCCN[*:1])Nc1cccc(c1)N1CCOCC1
O=C(NCCNc1ncccn1)Nc1cccc(N2CCOCC2)c1 c1cnc(nc1)NC[*:1] O=C(NC[*:1])Nc1cccc(c1)N1CCOCC1
O=C(NCCNc1ncccn1)Nc1cccc(N2CCOCC2)c1 c1cnc(nc1)N[*:1] O=C(NCC[*:1])Nc1cccc(c1)N1CCOCC1
Cc1cccc(CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(C(=O)C[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1cccc(CN(C(=O)C[C@H]2CCS(=O)(=O)C2)C2CC2)c1 Cc1cccc(c1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N(C[*:1])C1CC1
C[C@H](c1nc(-c2ccccc2)no1)N(C)Cc1nnc(C2CC2)n1C C1CC1[*:1] C[C@H](c1nc(no1)-c1ccccc1)N(C)Cc1nnc(n1C)[*:1]
C[C@H](c1nc(-c2ccccc2)no1)N(C)Cc1nnc(C2CC2)n1C c1ccc(cc1)[*:1] C[C@H](c1nc(no1)[*:1])N(C)Cc1nnc(C2CC2)n1C
CO[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)N1CCN(CC1)C(=O)[*:1]
CC(=O)N1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)CC1 C1CCC(C1)O[*:1] CC(=O)N1CCC(CC1)NC(=O)N[C@@H]1CCCC[C@H]1[*:1]
CC(=O)N1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)CC1 C1CCC(C1)[*:1] CC(=O)N1CCC(CC1)NC(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)nc3)c2)C1 Clc1ccc(cn1)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)nc3)c2)C1 Clc1ccc(cn1)C[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
COc1ccc(-c2noc(CN(C(=O)C(Cl)(Cl)Cl)C(C)C)n2)cc1 COc1ccc(cc1)[*:1] CC(C)N(Cc1nc(no1)[*:1])C(=O)C(Cl)(Cl)Cl
COc1ccc(-c2noc(CN(C(=O)C(Cl)(Cl)Cl)C(C)C)n2)cc1 ClC(Cl)(Cl)[*:1] COc1ccc(cc1)-c1noc(CN(C(=O)[*:1])C(C)C)n1
COc1ccc(-c2noc(CN(C(=O)C(Cl)(Cl)Cl)C(C)C)n2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1noc(CN(C(=O)C(Cl)(Cl)Cl)[*:1])n1
COc1ccccc1Oc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N Brc1ccc(cc1)[*:1] COc1ccccc1Oc1ncnc(NNC(=O)[*:1])c1N
COc1ccccc1Oc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N COc1ccccc1O[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1ccc(Br)cc1
COc1ccccc1Oc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N COc1ccccc1[*:1] Nc1c(ncnc1O[*:1])NNC(=O)c1ccc(Br)cc1
O=C1CN(S(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)CCN1 C1CCC(CC1)[*:1] O=C1CN(CCN1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CN(C)NC(=O)c1ccsc1NC(=O)CCS(=O)(=O)c1ccccc1 CN(C)NC(=O)[*:1] O=C(CCS(=O)(=O)c1ccccc1)Nc1sccc1[*:1]
CN(C)NC(=O)c1ccsc1NC(=O)CCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C)NC(=O)c1ccsc1NC(=O)CCS(=O)(=O)[*:1]
CCCCCCSc1nnc(-c2ccccc2N)c([O-])n1 CCCCCC[*:1] Nc1ccccc1-c1nnc(nc1[O-])S[*:1]
CCCCCCSc1nnc(-c2ccccc2N)c([O-])n1 CCCCC[*:1] Nc1ccccc1-c1nnc(nc1[O-])SC[*:1]
CCCCCCSc1nnc(-c2ccccc2N)c([O-])n1 Nc1ccccc1[*:1] CCCCCCSc1nnc(c([O-])n1)[*:1]
CCCCCCSc1nnc(-c2ccccc2N)c([O-])n1 CCCCCCS[*:1] Nc1ccccc1-c1nnc(nc1[O-])[*:1]
CCCCCCSc1nnc(-c2ccccc2N)c([O-])n1 CCC[*:1] Nc1ccccc1-c1nnc(nc1[O-])SCCC[*:1]
CCCCCCSc1nnc(-c2ccccc2N)c([O-])n1 CCCC[*:1] Nc1ccccc1-c1nnc(nc1[O-])SCC[*:1]
CC(C)[C@@H]1CCC(=O)N(C[C@@H](CS)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@@H]1CCC(=O)N(CC1)C[C@@H](CS)[*:1]
CC(C)[C@@H]1CCC(=O)N(C[C@@H](CS)c2ccccc2)CC1 CC(C)[*:1] O=C1CC[C@H](CCN1C[C@@H](CS)c1ccccc1)[*:1]
CCc1ccc(N2C(=O)C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 CCc1ccc(cc1)[*:1] O=C1C[C@H](Nc2ccc(cc2)[N+](=O)[O-])C(=O)N1[*:1]
CCc1ccc(N2C(=O)C[C@H](Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)N1C(=O)C[C@H](Nc2ccc(cc2)[*:1])C1=O
CN1CCN(C(=O)CCCCc2ccccc2)C[C@]12CCNC(=O)CC2 c1ccc(cc1)C[*:1] CN1CCN(C[C@]12CCNC(=O)CC2)C(=O)CCC[*:1]
CN1CCN(C(=O)CCCCc2ccccc2)C[C@]12CCNC(=O)CC2 c1ccc(cc1)[*:1] CN1CCN(C[C@]12CCNC(=O)CC2)C(=O)CCCC[*:1]
CN1CCN(C(=O)CCCCc2ccccc2)C[C@]12CCNC(=O)CC2 c1ccc(cc1)CC[*:1] CN1CCN(C[C@]12CCNC(=O)CC2)C(=O)CC[*:1]
COCC[C@@H](C)C(=O)NC(C)(C)C(=O)OC COCC[*:1] COC(=O)C(C)(C)NC(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)NC(C)(C)C(=O)OC COC(=O)[*:1] COCC[C@@H](C)C(=O)NC(C)(C)[*:1]
COCC[C@@H](C)C(=O)NC(C)(C)C(=O)OC COC[*:1] COC(=O)C(C)(C)NC(=O)[C@H](C)C[*:1]
CN(Cc1nccn1C(F)F)Cn1ncc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] CN(Cc1nccn1C(F)F)Cn1ncc2ccc(cc21)[*:1]
CN(Cc1nccn1C(F)F)Cn1ncc2ccc([N+](=O)[O-])cc21 FC(F)n1ccnc1[*:1] CN(Cn1ncc2ccc(cc21)[N+](=O)[O-])C[*:1]
CN(Cc1nccn1C(F)F)Cn1ncc2ccc([N+](=O)[O-])cc21 FC(F)[*:1] CN(Cc1nccn1[*:1])Cn1ncc2ccc(cc21)[N+](=O)[O-]
Cc1ccc2[nH]c(SCC(=O)OCc3ccccc3)nc2c1 c1ccc(cc1)C[*:1] Cc1ccc2[nH]c(nc2c1)SCC(=O)O[*:1]
Cc1ccc2[nH]c(SCC(=O)OCc3ccccc3)nc2c1 c1ccc(cc1)[*:1] Cc1ccc2[nH]c(nc2c1)SCC(=O)OC[*:1]
C[C@](O)(CNC(=O)/C=C/c1cccc(F)c1)c1ccc(F)cc1F Fc1cccc(c1)[*:1] C[C@](O)(CNC(=O)C=C[*:1])c1ccc(F)cc1F
C[C@](O)(CNC(=O)/C=C/c1cccc(F)c1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@](O)(CNC(=O)/C=C/c1cccc(F)c1)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] C[C@H]1CCCC[C@H]1NC(=O)N1CCN(CC1)CC[*:1]
C[C@H]1CCCC[C@H]1NC(=O)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)N1CCN(CCO[*:1])CC1
C[C@H]1CCCC[C@H]1NC(=O)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)OC[*:1] C[C@H]1CCCC[C@H]1NC(=O)N1CCN(CC1)C[*:1]
C#CC[C@H](C)OC(=O)c1cccnc1OCC(C)C CC(C)CO[*:1] C#CC[C@H](C)OC(=O)c1cccnc1[*:1]
C#CC[C@H](C)OC(=O)c1cccnc1OCC(C)C CC(C)C[*:1] C#CC[C@H](C)OC(=O)c1cccnc1O[*:1]
C#CC[C@H](C)OC(=O)c1cccnc1OCC(C)C CC(C)[*:1] C#CC[C@H](C)OC(=O)c1cccnc1OC[*:1]
C#CC[C@H](C)OC(=O)c1cccnc1OCC(C)C C#CC[*:1] CC(C)COc1ncccc1C(=O)O[C@@H](C)[*:1]
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cc(ccc1Cl)[*:1]
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])c1ccc(Cl)c(c1)[*:1] O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)[*:1]
CS(=O)(=O)c1ccc(C(=O)c2cc3ccccc3o2)cc1 CS(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])c1cc2ccccc2o1
c1ccc(C2(Cc3c[nH]c4ccccc34)OCCO2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c[nH]c2c1)CC1(OCCO1)[*:1]
CC[NH+]1CCN(CC(=O)NC2=c3c(C)cccc3=[NH+][C@@H]2C(=O)OC)CC1 COC(=O)[*:1] CC[NH+]1CCN(CC1)CC(=O)NC1=c2c(C)cccc2=[NH+][C@H]1[*:1]
CCc1cc(N[C@H](C)C(=O)OC(C)(C)C)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CCc1cc(nc(n1)[*:1])N[C@H](C)C(=O)OC(C)(C)C
CCc1cc(N[C@H](C)C(=O)OC(C)(C)C)nc(-c2ccccn2)n1 CC(C)(C)OC(=O)[*:1] CCc1cc(nc(n1)-c1ccccn1)N[C@H](C)[*:1]
CCc1cc(N[C@H](C)C(=O)OC(C)(C)C)nc(-c2ccccn2)n1 CC(C)(C)[*:1] CCc1cc(nc(n1)-c1ccccn1)N[C@H](C)C(=O)O[*:1]
[NH3+]C[C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2C(=O)[O-])O1 O=C([O-])[*:1] [NH3+]C[C@@H]1CC[C@H](O1)C(=O)N1CCCC[C@@H]1[*:1]
O=C(/C=C/c1nc2ccccc2s1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(/C=C/c1nc2ccccc2s1)OCC(=O)N1CCN(CC1)C(=O)[*:1]
O=C(/C=C/c1nc2ccccc2s1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(C=C[*:1])OCC(=O)N1CCN(CC1)C(=O)c1ccco1
CC[C@@](C)(NC(=O)c1ccncc1F)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)c1ccncc1F)[*:1]
O=C(Nc1ccc[nH+]c1N1CCCC1)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(Nc1ccc[nH+]c1N1CCCC1)N1CC[NH+](CC1)[*:1]
O=C(Nc1ccc[nH+]c1N1CCCC1)N1CC[NH+](C2CCCC2)CC1 C1CCN(C1)[*:1] O=C(Nc1ccc[nH+]c1[*:1])N1CC[NH+](CC1)C1CCCC1
Cc1ncc(CC(=O)N2CCc3c(c(C(=O)[O-])nn3CC3CC3)C2)c(=O)[nH]1 C1CC1C[*:1] Cc1ncc(CC(=O)N2CCc3c(C2)c(nn3[*:1])C(=O)[O-])c(=O)[nH]1
Cc1ncc(CC(=O)N2CCc3c(c(C(=O)[O-])nn3CC3CC3)C2)c(=O)[nH]1 Cc1ncc(c(=O)[nH]1)[*:1] O=C([O-])c1nn(CC2CC2)c2CCN(Cc12)C(=O)C[*:1]
Cc1ncc(CC(=O)N2CCc3c(c(C(=O)[O-])nn3CC3CC3)C2)c(=O)[nH]1 O=C([O-])[*:1] Cc1ncc(CC(=O)N2CCc3c(C2)c(nn3CC2CC2)[*:1])c(=O)[nH]1
Cc1ncc(CC(=O)N2CCc3c(c(C(=O)[O-])nn3CC3CC3)C2)c(=O)[nH]1 Cc1ncc(C[*:1])c(=O)[nH]1 O=C([O-])c1nn(CC2CC2)c2CCN(Cc12)C(=O)[*:1]
Cc1ncc(CC(=O)N2CCc3c(c(C(=O)[O-])nn3CC3CC3)C2)c(=O)[nH]1 C1CC1[*:1] Cc1ncc(CC(=O)N2CCc3c(C2)c(nn3C[*:1])C(=O)[O-])c(=O)[nH]1
CCOC[C@H]1CCCN(C(=O)CCC(=O)c2ccc(C)s2)C1 CCO[*:1] Cc1ccc(s1)C(=O)CCC(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)CCC(=O)c2ccc(C)s2)C1 Cc1ccc(s1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)CCC(=O)[*:1]
CCOC[C@H]1CCCN(C(=O)CCC(=O)c2ccc(C)s2)C1 CCOC[*:1] Cc1ccc(s1)C(=O)CCC(=O)N1CCC[C@@H](C1)[*:1]
CN1CCN2CCN(C(=O)c3cccc(N4CCNC4=O)c3)C[C@H]2C1=O O=C1NCCN1[*:1] CN1CCN2CCN(C[C@H]2C1=O)C(=O)c1cccc(c1)[*:1]
C=C(Cl)COc1ccc(C(=O)OC)cc1OC C=C(Cl)C[*:1] COC(=O)c1ccc(O[*:1])c(c1)OC
C=C(Cl)COc1ccc(C(=O)OC)cc1OC C=C(Cl)CO[*:1] COC(=O)c1ccc(c(c1)OC)[*:1]
C=C(Cl)COc1ccc(C(=O)OC)cc1OC COC(=O)[*:1] C=C(Cl)COc1ccc(cc1OC)[*:1]
C=C(Cl)COc1ccc(C(=O)OC)cc1OC C=C(Cl)[*:1] COC(=O)c1ccc(OC[*:1])c(c1)OC
CCOC(=O)CSCC(=O)Nc1cc(F)ccc1F CCOC(=O)[*:1] O=C(CSC[*:1])Nc1cc(F)ccc1F
CCOC(=O)CSCC(=O)Nc1cc(F)ccc1F CCOC(=O)C[*:1] O=C(CS[*:1])Nc1cc(F)ccc1F
CC(C)CNC(=S)NC(=O)c1ccc(F)cc1 CC(C)C[*:1] O=C(NC(=S)N[*:1])c1ccc(F)cc1
CC(C)CNC(=S)NC(=O)c1ccc(F)cc1 CC(C)[*:1] O=C(NC(=S)NC[*:1])c1ccc(F)cc1
COc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(C)(=O)=O)cc1 COc1ccc(cc1)[*:1] C[NH+]1CCC(CC1)NC(=O)CN(S(C)(=O)=O)[*:1]
CC(C)C[C@H]1NC(=O)[C@H]2CN(C(=O)c3ccc4ccccc4c3)CCN2C1=O CC(C)[*:1] O=C1N[C@H](C[*:1])C(=O)N2CCN(C[C@H]12)C(=O)c1ccc2ccccc2c1
CC(C)C[C@H]1NC(=O)[C@H]2CN(C(=O)c3ccc4ccccc4c3)CCN2C1=O CC(C)C[*:1] O=C1N[C@@H](C(=O)N2CCN(C[C@H]12)C(=O)c1ccc2ccccc2c1)[*:1]
CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1-c1cccs1 Clc1ccc(nc1)[*:1] CCn1c(nnc1-c1cccs1)S[C@H](C)C(=O)N[*:1]
CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1ccc(Cl)cn1
COc1ccc(C(=O)CSc2n[nH]c(N)n2)cc1F Nc1nc(n[nH]1)[*:1] COc1ccc(cc1F)C(=O)CS[*:1]
CN(CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C(=O)[*:1]
CN(CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C(=O)c1ccccc1 FC(F)(F)C[*:1] CN(CC(=O)Nc1cc(Cl)ccc1O[*:1])C(=O)c1ccccc1
CN(CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C(=O)c1ccccc1 FC(F)(F)CO[*:1] CN(CC(=O)Nc1cc(Cl)ccc1[*:1])C(=O)c1ccccc1
CN(CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C(=O)c1ccccc1 FC(F)(F)[*:1] CN(CC(=O)Nc1cc(Cl)ccc1OC[*:1])C(=O)c1ccccc1
CCc1ccccc1NC(=O)[C@H](C)S[C@@H](C)C(=O)OC COC(=O)[*:1] CCc1ccccc1NC(=O)[C@H](C)S[C@@H](C)[*:1]
CCc1ccccc1NC(=O)[C@H](C)S[C@@H](C)C(=O)OC COC(=O)[C@H](C)[*:1] CCc1ccccc1NC(=O)[C@H](C)S[*:1]
CCC[NH2+][C@@H]1COC[C@@H]1CNCc1cscc1C CCC[*:1] Cc1cscc1CNC[C@H]1COC[C@H]1[NH2+][*:1]
CCC[NH2+][C@@H]1COC[C@@H]1CNCc1cscc1C Cc1cscc1[*:1] CCC[NH2+][C@@H]1COC[C@@H]1CNC[*:1]
O=C1c2ccccc2C(=O)N1CN1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1C[*:1] O=C1c2ccccc2C(=O)N1CN1CC[NH+](CC1)[*:1]
O=C1c2ccccc2C(=O)N1CN1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1[*:1] O=C1c2ccccc2C(=O)N1CN1CC[NH+](CC1)C[*:1]
C[C@H]1COC2(CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)O1 FC(F)[*:1] C[C@H]1COC2(CCN(CC2)C(=O)c2ccc(cc2)O[*:1])O1
C[C@H]1COC2(CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)O1 FC(F)O[*:1] C[C@H]1COC2(CCN(CC2)C(=O)c2ccc(cc2)[*:1])O1
Cc1ccccc1N(Cc1ccc(Cl)cc1Cl)S(C)(=O)=O Cc1ccccc1[*:1] CS(=O)(=O)N(Cc1ccc(Cl)cc1Cl)[*:1]
CC[NH2+]Cc1nc(C[NH+]2C[C@H](C)[C@@H](C)C2)cs1 CC[NH2+]C[*:1] C[C@H]1C[NH+](Cc2csc(n2)[*:1])C[C@@H]1C
CC(=O)c1ccccc1N1CC(c2ccccc2)C1 c1ccc(cc1)[*:1] CC(=O)c1ccccc1N1CC(C1)[*:1]
CC(=O)c1ccccc1N1CC(c2ccccc2)C1 CC(=O)[*:1] c1ccc(cc1)C1CN(C1)c1ccccc1[*:1]
NC(=O)c1ccc(Sc2nnc(C(F)(F)F)n2N)c([N+](=O)[O-])c1 NC(=O)[*:1] Nn1c(nnc1C(F)(F)F)Sc1ccc(cc1[N+](=O)[O-])[*:1]
NC(=O)c1ccc(Sc2nnc(C(F)(F)F)n2N)c([N+](=O)[O-])c1 FC(F)(F)[*:1] NC(=O)c1ccc(Sc2nnc(n2N)[*:1])c(c1)[N+](=O)[O-]
NC(=O)c1ccc(Sc2nnc(C(F)(F)F)n2N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(Sc2nnc(n2N)C(F)(F)F)c(c1)[*:1]
COC(=O)N(C)CCCC(=O)N1Cc2ccccc2N(C)C[C@@H]1C COC(=O)N(C)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)CCC[*:1]
COC(=O)N(C)CCCC(=O)N1Cc2ccccc2N(C)C[C@@H]1C COC(=O)N(C)C[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)CC[*:1]
COC(=O)N(C)CCCC(=O)N1Cc2ccccc2N(C)C[C@@H]1C COC(=O)N(C)CC[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)C[*:1]
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2ccc(Cn3cccn3)cc2)C1=O c1cnn(c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)NCc2ccc(cc2)C[*:1])C1=O)c1ccc2ccccc2c1
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2ccc(Cn3cccn3)cc2)C1=O c1cnn(c1)C[*:1] C[C@@]1(NC(=O)N(CC(=O)NCc2ccc(cc2)[*:1])C1=O)c1ccc2ccccc2c1
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2ccc(Cn3cccn3)cc2)C1=O c1ccc2cc(ccc2c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)NCc2ccc(cc2)Cn2cccn2)C1=O)[*:1]
O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccccc1Cl c1cnn(c1)C[*:1] O=S(=O)(NCc1ccccc1[*:1])c1ccccc1Cl
O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccccc1Cl Clc1ccccc1[*:1] O=S(=O)(NCc1ccccc1Cn1cccn1)[*:1]
O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccccc1Cl c1cnn(c1)[*:1] O=S(=O)(NCc1ccccc1C[*:1])c1ccccc1Cl
CNS(=O)(=O)c1ccc(CNC(=O)c2sc(-c3ccccc3)cc2OC)s1 CNS(=O)(=O)[*:1] COc1cc(sc1C(=O)NCc1ccc(s1)[*:1])-c1ccccc1
CNS(=O)(=O)c1ccc(CNC(=O)c2sc(-c3ccccc3)cc2OC)s1 c1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(CNC(=O)c2sc(cc2OC)[*:1])s1
CCCN1C(=O)CCc2cc(NC(=O)c3cc(C)n(C4CC4)c3C)ccc21 CCC[*:1] Cc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3[*:1])c(C)n1C1CC1
CCCN1C(=O)CCc2cc(NC(=O)c3cc(C)n(C4CC4)c3C)ccc21 C1CC1[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)c1cc(C)n(c1C)[*:1]
C[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)OCC[N+](C)(C)C C[N+](C)(C)CC[*:1] C[C@H](CC1C[NH+]=c2ccccc2=1)NC(=O)O[*:1]
C[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)OCC[N+](C)(C)C C[N+](C)(C)[*:1] C[C@H](CC1C[NH+]=c2ccccc2=1)NC(=O)OCC[*:1]
C[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)OCC[N+](C)(C)C C[N+](C)(C)C[*:1] C[C@H](CC1C[NH+]=c2ccccc2=1)NC(=O)OC[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(Br)cc1 NC(=O)N[*:1] CC[C@H](C)[C@H](C(=O)Nc1ccc(Br)cc1)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(Br)cc1 CC[C@H](C)[*:1] NC(=O)N[C@H](C(=O)Nc1ccc(Br)cc1)[*:1]
CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C(=O)[O-])cs1 CC[C@@H](C)C[*:1] C[C@@H]([NH2+]Cc1cc(cs1)C(=O)[O-])[*:1]
CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C(=O)[O-])cs1 CC[C@@H](C)[*:1] C[C@H](C[*:1])[NH2+]Cc1cc(cs1)C(=O)[O-]
CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C(=O)[O-])cs1 O=C([O-])[*:1] CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(cs1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H]([C@H](O)[C@@H]2CCCO2)C1 CS(=O)(=O)[*:1] O[C@@H]([C@H]1CCC[C@H](C1)[*:1])[C@@H]1CCCO1
CS(=O)(=O)[C@@H]1CCC[C@H]([C@H](O)[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)[C@H](O)[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)c1ccc2c(c1)OCO2 CCOC(=O)[*:1] O=C(NC1=c2ccccc2=[NH+][C@@H]1[*:1])c1ccc2OCOc2c1
N#Cc1ccsc1NC(=O)CN1C(=O)NC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O N#Cc1ccsc1NC(=O)[*:1] O=C1NC(C(=O)N1C[*:1])(c1ccc(F)cc1)c1ccc(F)cc1
N#Cc1ccsc1NC(=O)CN1C(=O)NC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] N#Cc1ccsc1NC(=O)CN1C(=O)NC(C1=O)(c1ccc(F)cc1)[*:1]
N#Cc1ccsc1NC(=O)CN1C(=O)NC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O N#Cc1ccsc1[*:1] O=C(CN1C(=O)NC(C1=O)(c1ccc(F)cc1)c1ccc(F)cc1)N[*:1]
COC[C@H]([NH2+]C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C(C)C CC(C)[*:1] COC[C@H]([NH2+]C1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1)[*:1]
COC[C@H]([NH2+]C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C(C)C COC[*:1] CC(C)[C@@H]([NH2+]C1CCN(CC1)C(=O)[C@@H]1COc2ccccc2O1)[*:1]
C[C@H](CNc1nc(-c2ccccn2)nc2c1CC[NH2+]CC2)n1cc[nH+]c1 c1ccc(nc1)[*:1] C[C@H](CNc1nc(nc2CC[NH2+]CCc21)[*:1])n1cc[nH+]c1
CCOCCNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 CCOC[*:1] CN1C(=O)C[C@@H](NC(=O)NC[*:1])[C@H]1c1ccc(Cl)cc1
CCOCCNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOCCNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1[*:1]
CCOCCNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 CCOCC[*:1] CN1C(=O)C[C@@H](NC(=O)N[*:1])[C@H]1c1ccc(Cl)cc1
CCOCCNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 CCO[*:1] CN1C(=O)C[C@@H](NC(=O)NCC[*:1])[C@H]1c1ccc(Cl)cc1
O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CCCC1 Clc1ccc(nc1)[*:1] O=C(c1ccc(cc1)O[*:1])N1CCCC1
O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CCCC1 O=C(N1CCCC1)[*:1] Clc1ccc(nc1)Oc1ccc(cc1)[*:1]
CC(C)(C)c1noc(CCc2nc(-c3cnccn3)no2)n1 c1cnc(cn1)[*:1] CC(C)(C)c1noc(CCc2nc(no2)[*:1])n1
CC(C)(C)c1noc(CCc2nc(-c3cnccn3)no2)n1 CC(C)(C)[*:1] c1cnc(cn1)-c1noc(CCc2nc(no2)[*:1])n1
COC(=O)[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)C(C)C c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)C(=O)c1c(C)nn(c1C)[*:1])C(C)C
COC(=O)[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)[*:1]
COC(=O)[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)C(C)C COC(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](C(C)C)[*:1]
N/C(N[C@H]1C[C@H]1c1cccc(Cl)c1)=[NH+]\C1CC1 C1CC1[*:1] NC(N[C@H]1C[C@H]1c1cccc(Cl)c1)=[NH+][*:1]
CCOc1ccccc1[C@H](O)C(C)(C)[NH+]1CCCCC1 CCO[*:1] CC(C)([C@@H](O)c1ccccc1[*:1])[NH+]1CCCCC1
CN(C(=O)CCc1ccccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 Oc1ccccc1C[*:1] CN(C(=O)C[*:1])C1CCN(CC1)C(=O)OC(C)(C)C
CN(C(=O)CCc1ccccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 Oc1ccccc1[*:1] CN(C(=O)CC[*:1])C1CCN(CC1)C(=O)OC(C)(C)C
CN(C(=O)CCc1ccccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CN(C(=O)CCc1ccccc1O)C1CCN(CC1)C(=O)O[*:1]
COCc1ccccc1CNC(=O)CSc1nc(C)n[nH]1 COC[*:1] Cc1n[nH]c(n1)SCC(=O)NCc1ccccc1[*:1]
COCc1ccccc1CNC(=O)CSc1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] COCc1ccccc1CNC(=O)CS[*:1]
COCc1ccccc1CNC(=O)CSc1nc(C)n[nH]1 Cc1n[nH]c(n1)S[*:1] COCc1ccccc1CNC(=O)C[*:1]
CCC[NH2+][C@H](C[C@H](C)CC)[C@@H]1CSCCO1 CC[C@@H](C)[*:1] CCC[NH2+][C@H](C[*:1])[C@@H]1CSCCO1
CCC[NH2+][C@H](C[C@H](C)CC)[C@@H]1CSCCO1 CCC[*:1] CC[C@@H](C)C[C@@H]([NH2+][*:1])[C@@H]1CSCCO1
CCC[NH2+][C@H](C[C@H](C)CC)[C@@H]1CSCCO1 CC[C@@H](C)C[*:1] CCC[NH2+][C@H]([C@@H]1CSCCO1)[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(c3cnc4ccccc4n3)C2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1cnc2ccccc2n1
CCCSc1nnc(NC(=O)c2cc(-c3c(C)cc(C)cc3O)n[nH]2)s1 CCCS[*:1] Cc1cc(C)c(-c2cc([nH]n2)C(=O)Nc2nnc(s2)[*:1])c(O)c1
CCCSc1nnc(NC(=O)c2cc(-c3c(C)cc(C)cc3O)n[nH]2)s1 CCC[*:1] Cc1cc(C)c(-c2cc([nH]n2)C(=O)Nc2nnc(S[*:1])s2)c(O)c1
CC[C@H](C)CN(C)C(=O)NCC1(c2ccccc2C)CC1 Cc1ccccc1[*:1] CC[C@H](C)CN(C)C(=O)NCC1(CC1)[*:1]
CC[C@H](C)CN(C)C(=O)NCC1(c2ccccc2C)CC1 CC[C@H](C)[*:1] Cc1ccccc1C1(CC1)CNC(=O)N(C)C[*:1]
CC[C@H](C)CN(C)C(=O)NCC1(c2ccccc2C)CC1 CC[C@H](C)C[*:1] Cc1ccccc1C1(CC1)CNC(=O)N(C)[*:1]
FC(F)(F)c1ccnc(Sc2nc3ccccc3o2)c1 FC(F)(F)[*:1] c1ccc2oc(nc2c1)Sc1cc(ccn1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccc(O)cc2C1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)N1CCc2ccc(O)cc2C1)[*:1]
Cc1cccc(C(=O)NCc2cnn(-c3ccccc3)c2)c1O c1ccc(cc1)[*:1] Cc1cccc(C(=O)NCc2cnn(c2)[*:1])c1O
C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCN1C[C@H](C)OC(C)(C)C1 NC(=O)[*:1] C[NH2+][C@@]1(CCC[C@H]1CCN1C[C@H](C)OC(C)(C)C1)[*:1]
CC(C)NC(=O)CNC(=O)COC(=O)c1ccc(Cl)c(N)c1 CC(C)[*:1] Nc1cc(ccc1Cl)C(=O)OCC(=O)NCC(=O)N[*:1]
CC(C)NC(=O)CNC(=O)COC(=O)c1ccc(Cl)c(N)c1 CC(C)NC(=O)C[*:1] Nc1cc(ccc1Cl)C(=O)OCC(=O)N[*:1]
CC(C)NC(=O)CNC(=O)COC(=O)c1ccc(Cl)c(N)c1 CC(C)NC(=O)[*:1] Nc1cc(ccc1Cl)C(=O)OCC(=O)NC[*:1]
C[C@@H](NC(=O)N[C@@H]1CCCC1(C)C)c1nc(-c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] C[C@@H](NC(=O)N[C@@H]1CCCC1(C)C)c1nc(no1)[*:1]
CN1C(=O)C[C@H](C(=O)N2CCC(c3nnc4ccccn34)CC2)[C@@H]1c1ccccc1 c1ccn2c(nnc2c1)[*:1] CN1C(=O)C[C@H](C(=O)N2CCC(CC2)[*:1])[C@@H]1c1ccccc1
CN1C(=O)C[C@H](C(=O)N2CCC(c3nnc4ccccn34)CC2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)C[C@H](C(=O)N2CCC(CC2)c2nnc3ccccn23)[C@H]1[*:1]
Cc1ccc(-n2c([C@H](C)Cl)nc3cc(C)cnc32)c(C)c1 C[C@H](Cl)[*:1] Cc1ccc(c(C)c1)-n1c(nc2cc(C)cnc21)[*:1]
CS(=O)(=O)N(C[C@H]1CCCO1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CS(=O)(=O)N(C[C@H]1CCCO1)C[*:1]
CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)Nc1ccccc1)[*:1]
CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1)N1CC[NH+](C)CC1 c1ccc(cc1)[*:1] CC(C)[C@@H](CNC(=O)C(=O)N[*:1])N1CC[NH+](C)CC1
Cc1cc(C)c(C)c(OCCC(=O)N[C@H](C)C(=O)N2CCOCC2)c1 O=C(N1CCOCC1)[*:1] Cc1cc(C)c(C)c(c1)OCCC(=O)N[C@H](C)[*:1]
C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)c1ccc(F)c(F)c1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N(C)[*:1])S(=O)(=O)c1ccc(F)c(F)c1
COc1cc(C)ccc1OCC(=O)NNc1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1cc(C)ccc1OCC(=O)NN[*:1]
Cc1ccccc1C(=O)NCC(=O)Nc1cccc(F)c1 Cc1ccccc1[*:1] O=C(CNC(=O)[*:1])Nc1cccc(F)c1
Cc1ccccc1C(=O)NCC(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccccc1C(=O)NCC(=O)N[*:1]
CC(=O)N[C@@H](CC(=O)N(C)CC(=O)Nc1c(C)cccc1C)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@H](CC(=O)N(C)CC(=O)Nc1c(C)cccc1C)[*:1]
CC(=O)N[C@@H](CC(=O)N(C)CC(=O)Nc1c(C)cccc1C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N(C)CC(=O)Nc1c(C)cccc1C)[*:1]
CC(=O)N[C@@H](CC(=O)N(C)CC(=O)Nc1c(C)cccc1C)c1ccc(C)cc1 Cc1cccc(C)c1[*:1] CC(=O)N[C@@H](CC(=O)N(C)CC(=O)N[*:1])c1ccc(C)cc1
Cc1[nH]ncc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1[nH]ncc1S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1[nH]ncc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1 Cc1[nH]ncc1[*:1] CC(C)(C)c1ccc(cc1)NS(=O)(=O)[*:1]
CCOCc1ccccc1NC(=O)N(C)[C@@H](C)Cc1cccs1 CCOC[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccccc1[*:1]
CCOCc1ccccc1NC(=O)N(C)[C@@H](C)Cc1cccs1 CCO[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccccc1C[*:1]
CCOCc1ccccc1NC(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] CCOCc1ccccc1NC(=O)N(C)[C@@H](C)[*:1]
CCOCc1ccccc1NC(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] CCOCc1ccccc1NC(=O)N(C)[C@@H](C)C[*:1]
CCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 CCc1ccc(cc1)[*:1] O=c1[nH]c2ccc(cc2[nH]c1=O)S(=O)(=O)N[*:1]
NS(=O)(=O)c1cc(C(=O)N(CC2CC2)c2ccccc2)cs1 C1CC1C[*:1] NS(=O)(=O)c1cc(cs1)C(=O)N(c1ccccc1)[*:1]
NS(=O)(=O)c1cc(C(=O)N(CC2CC2)c2ccccc2)cs1 NS(=O)(=O)[*:1] O=C(c1csc(c1)[*:1])N(CC1CC1)c1ccccc1
NS(=O)(=O)c1cc(C(=O)N(CC2CC2)c2ccccc2)cs1 c1ccc(cc1)[*:1] NS(=O)(=O)c1cc(cs1)C(=O)N(CC1CC1)[*:1]
NS(=O)(=O)c1cc(C(=O)N(CC2CC2)c2ccccc2)cs1 C1CC1[*:1] NS(=O)(=O)c1cc(cs1)C(=O)N(C[*:1])c1ccccc1
COCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 COC[*:1] O=C(NCC[*:1])c1cnn(-c2ccc(F)cc2)c1-n1cccc1
COCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 COCCCNC(=O)[*:1] Fc1ccc(cc1)-n1ncc(c1-n1cccc1)[*:1]
COCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 COCCC[*:1] O=C(N[*:1])c1cnn(-c2ccc(F)cc2)c1-n1cccc1
COCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 COCC[*:1] O=C(NC[*:1])c1cnn(-c2ccc(F)cc2)c1-n1cccc1
COCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 c1ccn(c1)[*:1] COCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1[*:1]
COCCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 Fc1ccc(cc1)[*:1] COCCCNC(=O)c1cnn(c1-n1cccc1)[*:1]
CC(C)c1ccc2c(c1)[C@]1(NC(=O)[C@H]3COCCN31)C(=O)N2 CC(C)[*:1] O=C1N[C@@]2(C(=O)Nc3ccc(cc32)[*:1])N2CCOC[C@H]12
COc1ccccc1N1CC[C@H](CNC(=O)Cc2ccccc2F)C1 Fc1ccccc1[*:1] COc1ccccc1N1CC[C@H](CNC(=O)C[*:1])C1
COc1ccccc1N1CC[C@H](CNC(=O)Cc2ccccc2F)C1 Fc1ccccc1C[*:1] COc1ccccc1N1CC[C@H](CNC(=O)[*:1])C1
COc1ccccc1N1CC[C@H](CNC(=O)Cc2ccccc2F)C1 COc1ccccc1[*:1] O=C(Cc1ccccc1F)NC[C@H]1CCN(C1)[*:1]
Nc1c(C(=O)NCCC(=O)NC2CC2)sc2ncccc12 O=C(NC1CC1)[*:1] Nc1c(sc2ncccc12)C(=O)NCC[*:1]
Nc1c(C(=O)NCCC(=O)NC2CC2)sc2ncccc12 C1CC1[*:1] Nc1c(sc2ncccc12)C(=O)NCCC(=O)N[*:1]
Nc1c(C(=O)NCCC(=O)NC2CC2)sc2ncccc12 O=C(C[*:1])NC1CC1 Nc1c(sc2ncccc12)C(=O)NC[*:1]
CC[C@@H](C)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 CC[C@@H](C)C[*:1] O=C([O-])C[C@H]1CN(CCO1)C(=O)N[*:1]
CC[C@@H](C)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 CC[C@@H](C)[*:1] O=C([O-])C[C@H]1CN(CCO1)C(=O)NC[*:1]
CC[C@@H](C)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])C[*:1] CC[C@@H](C)CNC(=O)N1CCO[C@@H](C1)[*:1]
CC[C@@H](C)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H](C)CNC(=O)N1CCO[C@H](C1)C[*:1]
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1OC COc1ccc(cc1OC)[*:1] CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2[*:1]
CCC(=O)N(c1ccccc1)[C@H](CC)C(=O)OC COC(=O)[*:1] CCC(=O)N(c1ccccc1)[C@H](CC)[*:1]
CCC(=O)N(c1ccccc1)[C@H](CC)C(=O)OC c1ccc(cc1)[*:1] CCC(=O)N([C@H](CC)C(=O)OC)[*:1]
Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(nc1)[*:1]
O=C(NCc1ccco1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 c1coc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21
O=C(NCc1ccco1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 c1coc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21
O=C(Cn1c(C2CC2)nc2ccccc21)Nc1ccc(Br)cc1 C1CC1[*:1] O=C(Cn1c(nc2ccccc21)[*:1])Nc1ccc(Br)cc1
O=C(Cn1c(C2CC2)nc2ccccc21)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Cn1c(nc2ccccc21)C1CC1)N[*:1]
CN(Cc1nccn1C(F)F)C(=O)C1CCN(C(=O)N2CCCC2)CC1 FC(F)[*:1] CN(Cc1nccn1[*:1])C(=O)C1CCN(CC1)C(=O)N1CCCC1
CN(Cc1nccn1C(F)F)C(=O)C1CCN(C(=O)N2CCCC2)CC1 FC(F)n1ccnc1[*:1] CN(C[*:1])C(=O)C1CCN(CC1)C(=O)N1CCCC1
CC(C)OCc1noc(C2CCCCCC2)n1 CC(C)OC[*:1] C1CCCC(CC1)c1nc(no1)[*:1]
CC(C)OCc1noc(C2CCCCCC2)n1 CC(C)[*:1] C1CCCC(CC1)c1nc(CO[*:1])no1
CC(C)OCc1noc(C2CCCCCC2)n1 CC(C)O[*:1] C1CCCC(CC1)c1nc(C[*:1])no1
CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)n2)c(C#N)c1C Cc1cc(C)nc(n1)[*:1] CCOC(=O)c1sc(NC(=O)CS[*:1])c(C#N)c1C
CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)n2)c(C#N)c1C CCOC(=O)[*:1] Cc1cc(C)nc(n1)SCC(=O)Nc1sc(c(C)c1C#N)[*:1]
CC[C@@H](NC(=O)N(C)[C@H](C)c1ccccn1)c1ccc(C)c(F)c1 C[C@H](c1ccccn1)[*:1] CC[C@@H](NC(=O)N(C)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)N(C)[C@H](C)c1ccccn1)c1ccc(C)c(F)c1 c1ccc(nc1)[*:1] CC[C@@H](NC(=O)N(C)[C@H](C)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)N(C)[C@H](C)c1ccccn1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)N(C)[C@H](C)c1ccccn1)[*:1]
CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(C)c3C(N)=O)cc2)CC1 NC(=O)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1)C(=O)Nc1cccc(C)c1[*:1]
CCN(CC(C)C)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 CC(C)C[*:1] CCN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)[*:1]
CCN(CC(C)C)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 CC(C)[*:1] CCN(C[*:1])C(=O)[C@@H]1CC[C@@H](C[NH3+])O1
Cc1ccsc1C(=O)N1CC=C(c2ccccc2)CC1 Cc1ccsc1[*:1] O=C(N1CC=C(CC1)c1ccccc1)[*:1]
Cc1ccsc1C(=O)N1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccsc1C(=O)N1CC=C(CC1)[*:1]
Cc1nn(C)c(C)c1CCC/[NH+]=C(/N)Nc1cccc2c1CCCC2 Cc1nn(C)c(C)c1[*:1] N/C(Nc1cccc2CCCCc21)=[NH+]/CCC[*:1]
C/C(=N\NC(=N)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1cccs1 c1csc(c1)[*:1] CC(=NNC(=N)S[C@H]1CC(=O)N(C1=O)c1ccc(Cl)cc1)[*:1]
C/C(=N\NC(=N)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1cccs1 Clc1ccc(cc1)[*:1] C/C(=N\NC(=N)S[C@H]1CC(=O)N(C1=O)[*:1])c1cccs1
CCc1ccc(C2=C[C@H](C(=O)N/N=C/c3ccc(Cl)cc3)N=N2)cc1 Clc1ccc(cc1)[*:1] CCc1ccc(cc1)C1=C[C@@H](N=N1)C(=O)NN=C[*:1]
CCc1ccc(C2=C[C@H](C(=O)N/N=C/c3ccc(Cl)cc3)N=N2)cc1 CCc1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(Cl)cc1)[C@H]1C=C(N=N1)[*:1]
Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)C3CCCCC3)c(N(C)C)nc12 CN(C)[*:1] Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)C3CCCCC3)c(nc12)[*:1]
Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)C3CCCCC3)c(N(C)C)nc12 C1CCC(CC1)[*:1] Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)[*:1])c(nc12)N(C)C
O=C(NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCCC[NH+]1CCCCC1)C1CCN(CC1)S(=O)(=O)[*:1]
C[C@H]1C[C@@H]1NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 C[C@H]1C[C@H]1[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)NNC(=O)N[*:1]
COc1cc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)ccc1NC(C)=O Cc1ccccc1[*:1] COc1cc(ccc1NC(C)=O)N[C@@H](C)C(=O)N[C@@H](C)[*:1]
COc1cc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C
COc1cc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)ccc1NC(C)=O Cc1ccccc1[C@H](C)[*:1] COc1cc(ccc1NC(C)=O)N[C@@H](C)C(=O)N[*:1]
CC(=O)Nc1cc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c(F)cc1F O=[N+]([O-])[*:1] CC(=O)Nc1cc(NC(=O)CCOc2cc(C)ccc2[*:1])c(F)cc1F
CC(=O)Nc1cc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c(F)cc1F CC(=O)N[*:1] Cc1ccc(c(c1)OCCC(=O)Nc1cc(c(F)cc1F)[*:1])[N+](=O)[O-]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)cc1 COc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2cccc(F)c2)N1CCN1CCOCC1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)cc1 C1CN(CCO1)CC[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccc(F)c1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1cccc(F)c1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccc(F)c1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)cc1 COc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccc(F)c2)N1CCN1CCOCC1
Cn1cc(C(=O)NCCCS(C)(=O)=O)c(-c2ccccc2)n1 CS(=O)(=O)CCC[*:1] Cn1cc(C(=O)N[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)NCCCS(C)(=O)=O)c(-c2ccccc2)n1 CS(=O)(=O)CC[*:1] Cn1cc(C(=O)NC[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)NCCCS(C)(=O)=O)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)NCCCS(C)(=O)=O)c(n1)[*:1]
Cn1cc(C(=O)NCCCS(C)(=O)=O)c(-c2ccccc2)n1 CS(=O)(=O)C[*:1] Cn1cc(C(=O)NCC[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)NCCCS(C)(=O)=O)c(-c2ccccc2)n1 CS(=O)(=O)[*:1] Cn1cc(C(=O)NCCC[*:1])c(n1)-c1ccccc1
CCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C CCNC(=O)[*:1] CC[C@@H]1CCc2sc(cc2C1)-c1nnc(SC[*:1])n1C
CCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C CCNC(=O)C[*:1] CC[C@@H]1CCc2sc(cc2C1)-c1nnc(S[*:1])n1C
CCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C CCNC(=O)CS[*:1] CC[C@@H]1CCc2sc(cc2C1)-c1nnc(n1C)[*:1]
CC(C)(C(=O)[O-])c1ccc(C(=O)CCCCl)cc1 ClCC[*:1] CC(C)(C(=O)[O-])c1ccc(cc1)C(=O)C[*:1]
CC(C)(C(=O)[O-])c1ccc(C(=O)CCCCl)cc1 O=C(CCCCl)[*:1] CC(C)(C(=O)[O-])c1ccc(cc1)[*:1]
CC(C)(C(=O)[O-])c1ccc(C(=O)CCCCl)cc1 O=C([O-])[*:1] CC(C)(c1ccc(cc1)C(=O)CCCCl)[*:1]
CC(C)(C(=O)[O-])c1ccc(C(=O)CCCCl)cc1 ClCCC[*:1] CC(C)(C(=O)[O-])c1ccc(cc1)C(=O)[*:1]
CC(C)(C(=O)[O-])c1ccc(C(=O)CCCCl)cc1 CC(C)(C(=O)[O-])[*:1] O=C(CCCCl)c1ccc(cc1)[*:1]
O=C1C[C@H](c2ccccc2O)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21 Oc1ccccc1[*:1] O=C1C[C@H](Cc2nc(ncc21)N1CCN(CC1)c1ccccc1)[*:1]
O=C1C[C@H](c2ccccc2O)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21 c1ccc(cc1)[*:1] O=C1C[C@@H](Cc2nc(ncc21)N1CCN(CC1)[*:1])c1ccccc1O
CN(Cc1ccc(O)cc1)c1ncc([N+](=O)[O-])cc1C(N)=O O=[N+]([O-])[*:1] CN(Cc1ccc(O)cc1)c1ncc(cc1C(N)=O)[*:1]
CN(Cc1ccc(O)cc1)c1ncc([N+](=O)[O-])cc1C(N)=O Oc1ccc(cc1)[*:1] CN(C[*:1])c1ncc(cc1C(N)=O)[N+](=O)[O-]
CN(Cc1ccc(O)cc1)c1ncc([N+](=O)[O-])cc1C(N)=O NC(=O)[*:1] CN(Cc1ccc(O)cc1)c1ncc(cc1[*:1])[N+](=O)[O-]
Cc1nc(S[C@H]2C[C@H](C)OC2=O)n(CC(C)C)c1C CC(C)C[*:1] Cc1nc(S[C@H]2C[C@H](C)OC2=O)n(c1C)[*:1]
Cc1nc(S[C@H]2C[C@H](C)OC2=O)n(CC(C)C)c1C CC(C)[*:1] Cc1nc(S[C@H]2C[C@H](C)OC2=O)n(C[*:1])c1C
C[C@@H](Sc1cccc2cccnc12)c1nc(C2CC2)no1 C1CC1[*:1] C[C@@H](Sc1cccc2cccnc12)c1nc(no1)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3oc(C4CC4)nc3c2)c(OC)c1 C1CC1[*:1] COc1ccc(c(c1)OC)[C@@H]1CCCN1C(=O)Nc1ccc2oc(nc2c1)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3oc(C4CC4)nc3c2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(Nc1ccc2oc(nc2c1)C1CC1)N1CCC[C@H]1[*:1]
CC(C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)[NH2+][C@H](C)c1ccc(cc1)[*:1]
CC(C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 CC(C)[*:1] C[C@@H]([NH2+][*:1])c1ccc(cc1)[N+](=O)[O-]
CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1N1CCOCC1 N#Cc1cccc(c1)[*:1] CCn1c(nnc1N1CCOCC1)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1N1CCOCC1 C1CN(CCO1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cccc(C#N)c1
C[C@H]1COCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C c1ccc(cc1)C[*:1] C[C@H]1COCCN1C(=O)N[C@H](C[NH+](C)C)[*:1]
C[C@H]1COCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C c1ccc(cc1)[*:1] C[C@H]1COCCN1C(=O)N[C@@H](C[NH+](C)C)C[*:1]
CCCN[C@@H](C#N)CSC1COC1 CCCN[*:1] N#C[C@@H](CSC1COC1)[*:1]
CCCN[C@@H](C#N)CSC1COC1 C1OCC1[*:1] CCCN[C@@H](C#N)CS[*:1]
CCCN[C@@H](C#N)CSC1COC1 CCC[*:1] N#C[C@@H](CSC1COC1)N[*:1]
NC(=O)COC(=O)/C=C/c1c(Cl)nc2sccn12 NC(=O)[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)OC[*:1]
NC(=O)COC(=O)/C=C/c1c(Cl)nc2sccn12 NC(=O)C[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)O[*:1]
Cc1csc(N2CCN([C@H](C)C(=O)Nc3cc(C)on3)CC2)n1 Cc1cc(no1)[*:1] Cc1csc(n1)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
Cc1csc(N2CCN([C@H](C)C(=O)Nc3cc(C)on3)CC2)n1 Cc1csc(n1)[*:1] Cc1cc(no1)NC(=O)[C@@H](C)N1CCN(CC1)[*:1]
Cc1cc(NC(=O)[C@@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)ccc1Br Cc1cc(ccc1Br)[*:1] CC(C)(C)c1cc(=O)n2C[C@@H](CSc2n1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)ccc1Br CC(C)(C)[*:1] Cc1cc(ccc1Br)NC(=O)[C@@H]1CSc2nc(cc(=O)n2C1)[*:1]
COC(=O)/C(C)=C/CSc1cc(F)ccc1N COC(=O)[*:1] CC(=CCSc1cc(F)ccc1N)[*:1]
C[C@@H](NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1CCN(CC1)C(=O)[C@H]1CCCO1)c1ccc(cc1)[*:1]
CCCSc1nc2c(Cl)cc(F)c(NC(=O)OCC)c2s1 CCCS[*:1] CCOC(=O)Nc1c(F)cc(Cl)c2nc(sc12)[*:1]
CCCSc1nc2c(Cl)cc(F)c(NC(=O)OCC)c2s1 CCOC(=O)N[*:1] CCCSc1nc2c(Cl)cc(F)c(c2s1)[*:1]
CCCSc1nc2c(Cl)cc(F)c(NC(=O)OCC)c2s1 CCC[*:1] CCOC(=O)Nc1c(F)cc(Cl)c2nc(S[*:1])sc12
O=C(NCCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2cccnc2)CC1 c1ccc2CN(CCc2c1)[*:1] O=C(NCC[*:1])C1CCN(CC1)S(=O)(=O)c1cccnc1
O=C(NCCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] O=C(NCCN1CCc2ccccc2C1)C1CCN(CC1)S(=O)(=O)[*:1]
CCSc1ccc([C@@H](C)Nc2cccc(C(=O)OC)n2)cc1 COC(=O)[*:1] CCSc1ccc(cc1)[C@@H](C)Nc1cccc(n1)[*:1]
CCSc1ccc([C@@H](C)Nc2cccc(C(=O)OC)n2)cc1 CCS[*:1] COC(=O)c1cccc(n1)N[C@H](C)c1ccc(cc1)[*:1]
Cn1c[nH+]c(S(=O)(=O)[N-]c2nnc(C3CC3)s2)c1Cl C1CC1[*:1] Cn1c[nH+]c(c1Cl)S(=O)(=O)[N-]c1nnc(s1)[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)NS(C)(=O)=O CS(=O)(=O)N[*:1] CS[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C(C)(C)[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C(C)(C)c1ccccc1 CNC(=O)[*:1] C[C@@H]([NH2+][C@H]1CCCC[C@@H]1[*:1])C(C)(C)c1ccccc1
CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCC[C@H](c2nccs2)C1 c1csc(n1)[*:1] CCOC(=O)c1nn(cc1CN1CCC[C@H](C1)[*:1])-c1ccccc1
CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCC[C@H](c2nccs2)C1 CCOC(=O)[*:1] c1ccc(cc1)-n1cc(CN2CCC[C@@H](C2)c2nccs2)c(n1)[*:1]
CCOC(=O)c1nn(-c2ccccc2)cc1CN1CCC[C@H](c2nccs2)C1 c1ccc(cc1)[*:1] CCOC(=O)c1nn(cc1CN1CCC[C@@H](C1)c1nccs1)[*:1]
CC(C)N1C[C@@H](C(=O)N[C@@H](C)CC(=O)[O-])CC1=O CC(C)[*:1] C[C@@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)N1C[C@@H](C(=O)N[C@@H](C)CC(=O)[O-])CC1=O O=C([O-])C[*:1] CC(C)N1C[C@H](CC1=O)C(=O)N[C@@H](C)[*:1]
CC(C)N1C[C@@H](C(=O)N[C@@H](C)CC(=O)[O-])CC1=O O=C([O-])[*:1] CC(C)N1C[C@H](CC1=O)C(=O)N[C@@H](C)C[*:1]
CC(C)N1C[C@@H](C(=O)N[C@@H](C)CC(=O)[O-])CC1=O C[C@@H](CC(=O)[O-])[*:1] CC(C)N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](Oc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc1C c1ccc(cc1)O[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc1C C[C@H](Oc1ccccc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](C)O[*:1]
CCC[C@H]1CN(C(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)CCO1 CCC[*:1] CC(=O)c1cccc(c1)O[C@H](C)C(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)CCO1 CC(=O)[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@@H](C)Oc1cccc(c1)[*:1]
Cc1cnc(COC(=O)c2cc(F)c(F)cc2Cl)o1 Cc1cnc(o1)[*:1] O=C(OC[*:1])c1cc(F)c(F)cc1Cl
COc1ccccc1OCC[NH2+][C@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] COc1ccccc1OCC[NH2+][C@H](C)[*:1]
CCC(=O)Oc1ccc(C(=O)Nc2cccc(I)c2)cc1OC CCC(=O)O[*:1] COc1cc(ccc1[*:1])C(=O)Nc1cccc(I)c1
CCC(=O)Oc1ccc(C(=O)Nc2cccc(I)c2)cc1OC Ic1cccc(c1)[*:1] CCC(=O)Oc1ccc(cc1OC)C(=O)N[*:1]
COc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 C1CN(CCO1)[*:1] COc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[*:1]
COc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 Clc1ccccc1[*:1] COc1ccccc1C(=O)NC[C@@H](N1CCOCC1)[*:1]
COc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 COc1ccccc1[*:1] O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)[*:1]
Cc1nc(N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c(C)c(C)[nH+]1 OCC[*:1] Cc1nc(c(C)c(C)[nH+]1)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2cc1C CC(C)(C)n1nnnc1[*:1] Cc1cc2cc(c(=O)[nH]c2cc1C)[C@@H](N1CCN(CC1)c1ccc(O)cc1)[*:1]
Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2cc1C Oc1ccc(cc1)[*:1] Cc1cc2cc(c(=O)[nH]c2cc1C)[C@@H](c1nnnn1C(C)(C)C)N1CCN(CC1)[*:1]
Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2cc1C CC(C)(C)[*:1] Cc1cc2cc(c(=O)[nH]c2cc1C)[C@@H](c1nnnn1[*:1])N1CCN(CC1)c1ccc(O)cc1
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1 CNC(=O)Cc1ccc(cc1)[*:1] O=C(Cn1c(=O)n(c(=O)c2ccccc21)[*:1])NC1CCCCC1
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1 O=C(NC1CCCCC1)[*:1] CNC(=O)Cc1ccc(cc1)-n1c(=O)c2ccccc2n(C[*:1])c1=O
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1 C1CCC(CC1)[*:1] CNC(=O)Cc1ccc(cc1)-n1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1 O=C(C[*:1])NC1CCCCC1 CNC(=O)Cc1ccc(cc1)-n1c(=O)c2ccccc2n(c1=O)[*:1]
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1 CNC(=O)[*:1] O=C(Cn1c(=O)n(-c2ccc(cc2)C[*:1])c(=O)c2ccccc21)NC1CCCCC1
CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1 CNC(=O)C[*:1] O=C(Cn1c(=O)n(-c2ccc(cc2)[*:1])c(=O)c2ccccc21)NC1CCCCC1
Cc1ccc(C(=O)CCl)c(Cl)c1 O=C(CCl)[*:1] Cc1ccc(c(Cl)c1)[*:1]
COc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 COc1cccc(c1)[*:1] C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[*:1]
COc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cccc(c1)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[*:1]
COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@H]1CC[C@H](c2nc(=O)c(-c3ccc(Cl)cc3)c([O-])[nH]2)C1 Clc1ccc(cc1)[*:1] C[C@H]1CC[C@@H](C1)c1nc(=O)c(c([O-])[nH]1)[*:1]
Cn1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)c1 Cn1ccc(c1)C[*:1] O[C@@H](CN(Cc1ccccc1)[*:1])c1ccco1
Cn1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)c1 Cn1ccc(c1)[*:1] O[C@@H](CN(Cc1ccccc1)C[*:1])c1ccco1
Cn1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)c1 c1coc(c1)[*:1] Cn1ccc(c1)CN(Cc1ccccc1)C[C@H](O)[*:1]
Cn1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)c1 c1ccc(cc1)[*:1] Cn1ccc(c1)CN(C[C@H](O)c1ccco1)C[*:1]
Cn1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)c1 c1ccc(cc1)C[*:1] Cn1ccc(c1)CN(C[C@H](O)c1ccco1)[*:1]
CN(C1CCCCC1)S(=O)(=O)NC[C@H]1C[C@@]12CCc1ccccc12 C1CCC(CC1)[*:1] CN(S(=O)(=O)NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
O=C(Nc1cccc(OC2CCCC2)c1)c1ccc2cncn2c1 C1CCC(C1)O[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2cncn2c1
O=C(Nc1cccc(OC2CCCC2)c1)c1ccc2cncn2c1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)O[*:1])c1ccc2cncn2c1
CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)cc1 Clc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)C[NH2+][C@@H]1CCN(C1)[*:1]
CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)cc1 CC(=O)N[*:1] Clc1cccc(c1)N1CC[C@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
NC(=S)c1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] NC(=S)c1ccc(cc1)C(=O)NCCc1cccc(c1)[*:1]
NC(=S)c1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 NC(=S)[*:1] O=C(NCCc1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O O=[N+]([O-])[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)CCOc1ccc(Cl)cc1[*:1]
COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCC(C)C)c3)n2)cc1 CC(C)[*:1] COc1ccc(cc1)Oc1ccnc(n1)-c1cccc(c1)C(=O)NC[*:1]
COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCC(C)C)c3)n2)cc1 CC(C)CNC(=O)[*:1] COc1ccc(cc1)Oc1ccnc(n1)-c1cccc(c1)[*:1]
COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCC(C)C)c3)n2)cc1 COc1ccc(cc1)O[*:1] CC(C)CNC(=O)c1cccc(c1)-c1nccc(n1)[*:1]
COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCC(C)C)c3)n2)cc1 COc1ccc(cc1)[*:1] CC(C)CNC(=O)c1cccc(c1)-c1nccc(n1)O[*:1]
COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCC(C)C)c3)n2)cc1 CC(C)C[*:1] COc1ccc(cc1)Oc1ccnc(n1)-c1cccc(c1)C(=O)N[*:1]
O=C(N[C@@H](NCc1cccnc1)C(Cl)(Cl)Cl)c1cccs1 c1cncc(c1)[*:1] O=C(N[C@@H](NC[*:1])C(Cl)(Cl)Cl)c1cccs1
O=C(N[C@@H](NCc1cccnc1)C(Cl)(Cl)Cl)c1cccs1 c1csc(c1)[*:1] O=C(N[C@@H](NCc1cccnc1)C(Cl)(Cl)Cl)[*:1]
O=C(N[C@@H](NCc1cccnc1)C(Cl)(Cl)Cl)c1cccs1 c1cncc(c1)C[*:1] O=C(N[C@@H](N[*:1])C(Cl)(Cl)Cl)c1cccs1
O=C(N[C@@H](NCc1cccnc1)C(Cl)(Cl)Cl)c1cccs1 ClC(Cl)(Cl)[*:1] O=C(N[C@@H](NCc1cccnc1)[*:1])c1cccs1
CC[NH2+][C@@H](Cc1nc([C@@H](C)OC)no1)C(C)(C)C CO[C@H](C)[*:1] CC[NH2+][C@@H](Cc1nc(no1)[*:1])C(C)(C)C
CC[NH2+][C@@H](Cc1nc([C@@H](C)OC)no1)C(C)(C)C CC(C)(C)[*:1] CC[NH2+][C@@H](Cc1nc(no1)[C@@H](C)OC)[*:1]
COc1nn(C)cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 COc1nn(C)cc1[*:1] O=C(Nc1ccc(F)c(c1)[N+](=O)[O-])[C@@H]1CCCN(C1)C(=O)[*:1]
COc1nn(C)cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] COc1nn(C)cc1C(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(F)c(c1)[*:1]
CCOC(=O)c1cccc(N[C@@H]2CCCC[C@H]2OC)n1 CCOC(=O)[*:1] CO[C@@H]1CCCC[C@H]1Nc1cccc(n1)[*:1]
CNC(=O)CC1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1 C1CC1[*:1] CNC(=O)CC1CCN(CC1)C(=O)c1nc(oc1[*:1])-c1ccccc1
CNC(=O)CC1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1 CNC(=O)C[*:1] O=C(c1nc(oc1C1CC1)-c1ccccc1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1 c1ccc(cc1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)c1nc(oc1C1CC1)[*:1]
CNC(=O)CC1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1 CNC(=O)[*:1] O=C(c1nc(oc1C1CC1)-c1ccccc1)N1CCC(CC1)C[*:1]
COc1ccc(C(=O)N(C)C)cc1NCC(=O)N[C@@](C)(C#N)C1CC1 CN(C)C(=O)[*:1] COc1ccc(cc1NCC(=O)N[C@@](C)(C#N)C1CC1)[*:1]
COc1ccc(C(=O)N(C)C)cc1NCC(=O)N[C@@](C)(C#N)C1CC1 C1CC1[*:1] COc1ccc(cc1NCC(=O)N[C@@](C)(C#N)[*:1])C(=O)N(C)C
N#Cc1ccc(-c2noc(-c3cc(-c4ccc(F)cc4)on3)n2)nc1 N#Cc1ccc(nc1)[*:1] Fc1ccc(cc1)-c1cc(no1)-c1nc(no1)[*:1]
N#Cc1ccc(-c2noc(-c3cc(-c4ccc(F)cc4)on3)n2)nc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(nc1)-c1noc(n1)-c1cc(on1)[*:1]
COc1cc(C(=O)Nc2ncc(C)s2)ccc1OCCC(C)C CC(C)CC[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1ncc(C)s1
COc1cc(C(=O)Nc2ncc(C)s2)ccc1OCCC(C)C CC(C)C[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1ncc(C)s1
COc1cc(C(=O)Nc2ncc(C)s2)ccc1OCCC(C)C CC(C)[*:1] COc1cc(ccc1OCC[*:1])C(=O)Nc1ncc(C)s1
COc1cc(C(=O)Nc2ncc(C)s2)ccc1OCCC(C)C Cc1cnc(s1)[*:1] COc1cc(ccc1OCCC(C)C)C(=O)N[*:1]
COc1cc(C(=O)Nc2ncc(C)s2)ccc1OCCC(C)C CC(C)CCO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1ncc(C)s1
CCn1nnnc1COc1cccc(C(=O)NCc2cccc(F)c2)c1 Fc1cccc(c1)C[*:1] CCn1nnnc1COc1cccc(c1)C(=O)N[*:1]
CCn1nnnc1COc1cccc(C(=O)NCc2cccc(F)c2)c1 CCn1nnnc1[*:1] O=C(NCc1cccc(F)c1)c1cccc(c1)OC[*:1]
CCn1nnnc1COc1cccc(C(=O)NCc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CCn1nnnc1COc1cccc(c1)C(=O)NC[*:1]
CCn1nnnc1COc1cccc(C(=O)NCc2cccc(F)c2)c1 CCn1nnnc1C[*:1] O=C(NCc1cccc(F)c1)c1cccc(c1)O[*:1]
N#Cc1c(N)nc(S[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c(C#N)c1-c1ccccc1 c1ccc(cc1)[*:1] N#Cc1c(N)nc(S[C@H]2CC(=O)N(C2=O)c2ccc(Cl)cc2)c(C#N)c1[*:1]
N#Cc1c(N)nc(S[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c(C#N)c1-c1ccccc1 Clc1ccc(cc1)[*:1] N#Cc1c(N)nc(S[C@H]2CC(=O)N(C2=O)[*:1])c(C#N)c1-c1ccccc1
O=C(Nc1cccnc1Oc1ccccc1)c1ccc(C(F)(F)F)nc1 c1ccc(cc1)[*:1] O=C(Nc1cccnc1O[*:1])c1ccc(nc1)C(F)(F)F
O=C(Nc1cccnc1Oc1ccccc1)c1ccc(C(F)(F)F)nc1 c1ccc(cc1)O[*:1] O=C(Nc1cccnc1[*:1])c1ccc(nc1)C(F)(F)F
O=C(Nc1cccnc1Oc1ccccc1)c1ccc(C(F)(F)F)nc1 FC(F)(F)[*:1] O=C(Nc1cccnc1Oc1ccccc1)c1ccc(nc1)[*:1]
C[C@@H]1CCN(C(=O)NCc2ccco2)C[C@H]1O c1coc(c1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NC[*:1]
CCCOc1cc(NC[C@H]2CC[C@@H](C(=O)[O-])O2)ncn1 O=C([O-])[*:1] CCCOc1cc(ncn1)NC[C@H]1CC[C@@H](O1)[*:1]
CCCOc1cc(NC[C@H]2CC[C@@H](C(=O)[O-])O2)ncn1 CCCO[*:1] O=C([O-])[C@@H]1CC[C@H](CNc2cc(ncn2)[*:1])O1
CCCOc1cc(NC[C@H]2CC[C@@H](C(=O)[O-])O2)ncn1 CCC[*:1] O=C([O-])[C@@H]1CC[C@H](CNc2cc(ncn2)O[*:1])O1
CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(Cl)n1 CC[C@H](C)[*:1] CN(C(=O)c1cc2ccccc2c(Cl)n1)[*:1]
O=C(CNc1ccccc1)NNC(=O)c1cnc([C@H]2CCCO2)s1 c1ccc(cc1)N[*:1] O=C(C[*:1])NNC(=O)c1cnc(s1)[C@H]1CCCO1
O=C(CNc1ccccc1)NNC(=O)c1cnc([C@H]2CCCO2)s1 c1ccc(cc1)NC[*:1] O=C(NNC(=O)[*:1])c1cnc(s1)[C@H]1CCCO1
O=C(CNc1ccccc1)NNC(=O)c1cnc([C@H]2CCCO2)s1 c1ccc(cc1)[*:1] O=C(CN[*:1])NNC(=O)c1cnc(s1)[C@H]1CCCO1
CC(C)NC(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 CC(C)NC(=O)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)NC[*:1]
CC(C)NC(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)NCC(=O)N[*:1]
CC(C)NC(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)NC(=O)CNS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)NC(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 CC(C)NC(=O)C[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N[*:1]
CCOC(=O)c1cc(CSc2nc(C(F)(F)F)cc(C)c2C#N)on1 FC(F)(F)[*:1] CCOC(=O)c1cc(CSc2nc(cc(C)c2C#N)[*:1])on1
CCOC(=O)c1cc(CSc2nc(C(F)(F)F)cc(C)c2C#N)on1 CCOC(=O)[*:1] Cc1cc(nc(SCc2cc(no2)[*:1])c1C#N)C(F)(F)F
Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](C[*:1])NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)OC[C@H](C)NC(=O)/C=C/c1cccc(c1)[*:1]
Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CO[*:1])NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
COc1ccccc1-n1nnnc1SCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] COc1ccccc1-n1nnnc1SCC(=O)N[*:1]
COc1ccccc1-n1nnnc1SCC(=O)NC1CCCCC1 COc1ccccc1[*:1] O=C(CSc1nnnn1[*:1])NC1CCCCC1
O=C([O-])c1ccnc(-n2cnnn2)c1 O=C([O-])[*:1] c1cc(cc(n1)-n1cnnn1)[*:1]
COC(=O)[C@@H]1CCN(S(=O)(=O)CCl)C1 COC(=O)[*:1] O=S(=O)(CCl)N1CC[C@H](C1)[*:1]
CC(C)C[C@@H]1NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O CC(C)C[*:1] O=C(CN1C(=O)N[C@H](C1=O)[*:1])NCc1ccccc1Cl
CC(C)C[C@@H]1NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O CC(C)[*:1] O=C(CN1C(=O)N[C@@H](C[*:1])C1=O)NCc1ccccc1Cl
CC(C)C[C@@H]1NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O Clc1ccccc1[*:1] CC(C)C[C@@H]1NC(=O)N(CC(=O)NC[*:1])C1=O
Cc1ccc(-c2csc(N/N=C/c3ccccc3OC(F)F)n2)cc1 FC(F)O[*:1] Cc1ccc(cc1)-c1csc(n1)N/N=C/c1ccccc1[*:1]
Cc1ccc(-c2csc(N/N=C/c3ccccc3OC(F)F)n2)cc1 FC(F)[*:1] Cc1ccc(cc1)-c1csc(n1)N/N=C/c1ccccc1O[*:1]
Cc1ccc(-c2csc(N/N=C/c3ccccc3OC(F)F)n2)cc1 Cc1ccc(cc1)[*:1] FC(F)Oc1ccccc1/C=N/Nc1nc(cs1)[*:1]
O=C(NC[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1)c1ccccc1S(=O)(=O)C(F)F FC(F)[*:1] O=C(NC[C@@H]1CN(C(=O)O1)c1cccc(Cl)c1)c1ccccc1S(=O)(=O)[*:1]
O=C(NC[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1)c1ccccc1S(=O)(=O)C(F)F Clc1cccc(c1)[*:1] O=C(NC[C@@H]1CN(C(=O)O1)[*:1])c1ccccc1S(=O)(=O)C(F)F
O=C(NC[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1)c1ccccc1S(=O)(=O)C(F)F O=S(=O)(C(F)F)[*:1] O=C(NC[C@@H]1CN(C(=O)O1)c1cccc(Cl)c1)c1ccccc1[*:1]
O=C(c1cccs1)N1CCC[C@@H]1c1ccccc1Cl c1csc(c1)[*:1] O=C(N1CCC[C@@H]1c1ccccc1Cl)[*:1]
CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)C[C@@H](O)C1CC1 O[C@@H](C1CC1)[*:1] CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)C[*:1]
CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)C[C@@H](O)C1CC1 O[C@H](C[*:1])C1CC1 CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)[*:1]
CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)C[C@@H](O)C1CC1 Brc1cccc(c1)[*:1] CC[C@@H](C[*:1])C(=O)N(C)C[C@@H](O)C1CC1
CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)C[C@@H](O)C1CC1 C1CC1[*:1] CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)C[C@@H](O)[*:1]
O=C(NCc1cccc2cccnc12)c1csc(-c2ccco2)n1 c1coc(c1)[*:1] O=C(NCc1cccc2cccnc12)c1csc(n1)[*:1]
Cc1c(-c2csc(NC3CC3)n2)sc2ccccc12 C1CC1N[*:1] Cc1c(sc2ccccc12)-c1csc(n1)[*:1]
Cc1c(-c2csc(NC3CC3)n2)sc2ccccc12 C1CC1[*:1] Cc1c(sc2ccccc12)-c1csc(n1)N[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)CCC(=O)c1ccc2CCCCc2c1)[*:1]
COc1ccc(/C=C(/Sc2nc(C)n[nH]2)C(=O)[O-])cc1OC O=C([O-])[*:1] COc1ccc(/C=C(/Sc2nc(C)n[nH]2)[*:1])cc1OC
CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 CCOC(=O)[*:1] C[C@@H](CC[*:1])NC(=O)N1CCC[C@H](C1)[NH+](C)C
CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 CCOC(=O)C[*:1] C[C@@H](C[*:1])NC(=O)N1CCC[C@H](C1)[NH+](C)C
CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 CCOC(=O)CC[*:1] C[C@H](NC(=O)N1CCC[C@H](C1)[NH+](C)C)[*:1]
CCOc1ccccc1CNc1cc(Cl)ccc1CS(C)(=O)=O CS(=O)(=O)C[*:1] CCOc1ccccc1CNc1cc(Cl)ccc1[*:1]
CCOc1ccccc1CNc1cc(Cl)ccc1CS(C)(=O)=O CCO[*:1] CS(=O)(=O)Cc1ccc(Cl)cc1NCc1ccccc1[*:1]
CCOc1ccccc1CNc1cc(Cl)ccc1CS(C)(=O)=O CS(=O)(=O)[*:1] CCOc1ccccc1CNc1cc(Cl)ccc1C[*:1]
CCCc1cc(C(=O)Nc2cccc(C(C)=O)c2)no1 CC(=O)[*:1] CCCc1cc(no1)C(=O)Nc1cccc(c1)[*:1]
CCCc1cc(C(=O)Nc2cccc(C(C)=O)c2)no1 CCC[*:1] CC(=O)c1cccc(c1)NC(=O)c1cc(on1)[*:1]
Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1cc(Cl)ccc1Cl Clc1cccc(c1)[*:1] Nc1c(ncnc1Nc1cc(Cl)ccc1Cl)NNC(=O)[*:1]
Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)N[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1cccc(Cl)c1
Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] Nc1c(ncnc1N[*:1])NNC(=O)c1cccc(Cl)c1
CCOc1ccc(CCC(=O)N[C@H]2CCCn3nc(CC)nc32)cc1 CCO[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)CCc1ccc(cc1)[*:1]
O=C(NC[C@H]1CCC[C@H]1O)c1ncn[nH]1 c1n[nH]c(n1)[*:1] O=C(NC[C@H]1CCC[C@H]1O)[*:1]
COc1ccc([C@H]2C[C@H](C)N(c3ccc(C(N)=O)nn3)C2)cc1 NC(=O)[*:1] COc1ccc(cc1)[C@H]1C[C@H](C)N(C1)c1ccc(nn1)[*:1]
Cc1ccc(S(N)(=O)=O)c(C(=O)N(C[C@H]2CCCCO2)C(C)C)c1 C1CC[C@@H](OC1)[*:1] Cc1ccc(c(c1)C(=O)N(C[*:1])C(C)C)S(N)(=O)=O
Cc1ccc(S(N)(=O)=O)c(C(=O)N(C[C@H]2CCCCO2)C(C)C)c1 C1CC[C@H](C[*:1])OC1 Cc1ccc(c(c1)C(=O)N(C(C)C)[*:1])S(N)(=O)=O
Cc1ccc(S(N)(=O)=O)c(C(=O)N(C[C@H]2CCCCO2)C(C)C)c1 CC(C)[*:1] Cc1ccc(c(c1)C(=O)N(C[C@H]1CCCCO1)[*:1])S(N)(=O)=O
Cc1ccc(S(N)(=O)=O)c(C(=O)N(C[C@H]2CCCCO2)C(C)C)c1 NS(=O)(=O)[*:1] Cc1ccc(c(c1)C(=O)N(C[C@H]1CCCCO1)C(C)C)[*:1]
O=C1CCC[C@H](Oc2cccnc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] O=C1CCC[C@@H](C1)Oc1cccnc1[*:1]
COCCC1(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CCCC1 COCC[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)NC1(CCCC1)[*:1]
COCCC1(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CCCC1 COC[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)NC1(CCCC1)C[*:1]
Cc1cc(C)c(CCNC(=S)NC2CC2)c(C)c1 C1CC1[*:1] Cc1cc(C)c(CCNC(=S)N[*:1])c(C)c1
COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1-c1nc(C(C)C)no1 CC(C)c1noc(n1)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(C)cc1
COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1-c1nc(C(C)C)no1 CC(C)[*:1] COc1ccc(cc1-c1nc(no1)[*:1])S(=O)(=O)Nc1ccc(C)cc1
COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1-c1nc(C(C)C)no1 Cc1ccc(cc1)[*:1] COc1ccc(cc1-c1nc(no1)C(C)C)S(=O)(=O)N[*:1]
CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 c1ccc(cc1)[*:1] CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C[*:1]
CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1[*:1]
CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 CC(=O)NNC(=O)[*:1] c1ccc(cc1)CN1Cc2ccccc2C[C@H]1[*:1]
O=C([C@H]1Cc2ccccc2O1)N(Cc1cccnc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C([C@H]1Cc2ccccc2O1)N(Cc1cccnc1)[*:1]
O=C([C@H]1Cc2ccccc2O1)N(Cc1cccnc1)c1ccc(Cl)cc1 c1cncc(c1)C[*:1] O=C([C@H]1Cc2ccccc2O1)N(c1ccc(Cl)cc1)[*:1]
O=C([C@H]1Cc2ccccc2O1)N(Cc1cccnc1)c1ccc(Cl)cc1 c1cncc(c1)[*:1] O=C([C@H]1Cc2ccccc2O1)N(C[*:1])c1ccc(Cl)cc1
O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N(Cc1ccsc1)C1CC1 c1cc(cs1)C[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCCCC1)N(C1CC1)[*:1]
O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N(Cc1ccsc1)C1CC1 O=S(=O)(N1CCCCC1)[*:1] O=C(c1cccc(c1)[*:1])N(Cc1ccsc1)C1CC1
O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N(Cc1ccsc1)C1CC1 C1CC1[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCCCC1)N(Cc1ccsc1)[*:1]
O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N(Cc1ccsc1)C1CC1 c1cc(cs1)[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCCCC1)N(C[*:1])C1CC1
CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 CCC[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)O[*:1])c2C#N
CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 CCCO[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)[*:1])c2C#N
C=CCNc1nc(-c2c(C)nc3ncccn23)cs1 C=CCN[*:1] Cc1nc2ncccn2c1-c1csc(n1)[*:1]
C=CCNc1nc(-c2c(C)nc3ncccn23)cs1 C=CC[*:1] Cc1nc2ncccn2c1-c1csc(n1)N[*:1]
O=C1OCC2=C1[C@H](c1ccccc1)CC(=O)N2c1cccc(Br)c1 c1ccc(cc1)[*:1] O=C1OCC2=C1[C@H](CC(=O)N2c1cccc(Br)c1)[*:1]
O=C1OCC2=C1[C@H](c1ccccc1)CC(=O)N2c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C1OCC2=C1[C@@H](CC(=O)N2[*:1])c1ccccc1
C[C@@H]1CCCC[C@@H]1OC(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] C[C@@H]1CCCC[C@@H]1OC(=O)[C@](C)(N)[*:1]
CCOc1c(OC)cc(C[NH2+][C@@H]2CC=CCC2)cc1OC CCO[*:1] COc1cc(cc(OC)c1[*:1])C[NH2+][C@@H]1CC=CCC1
COc1ccccc1[C@H](NC(=O)N(C)C1CCCCCC1)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@H](NC(=O)N(C)C1CCCCCC1)[*:1]
COc1ccccc1[C@H](NC(=O)N(C)C1CCCCCC1)c1nccn1C COc1ccccc1[*:1] CN(C(=O)N[C@H](c1nccn1C)[*:1])C1CCCCCC1
COc1ccccc1[C@H](NC(=O)N(C)C1CCCCCC1)c1nccn1C C1CCCC(CC1)[*:1] COc1ccccc1[C@H](NC(=O)N(C)[*:1])c1nccn1C
Cc1cc(NC(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)on1 Cc1cc(on1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1cccn1
Cc1cc(NC(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)on1 c1cnn(c1)[*:1] Cc1cc(NC(=O)[C@H]2CCCN(C2)c2ccc(nn2)[*:1])on1
CCOC(=O)[C@@H](CC)c1nc([C@H](C)CC)no1 CCOC(=O)[*:1] CC[C@@H](c1nc(no1)[C@H](C)CC)[*:1]
CCOC(=O)[C@@H](CC)c1nc([C@H](C)CC)no1 CC[C@@H](C)[*:1] CCOC(=O)[C@@H](CC)c1nc(no1)[*:1]
Cc1ccccc1C1=C[C@@H]([C@H]2NC(c3ccccc3C)=NO2)N=N1 Cc1ccccc1[*:1] Cc1ccccc1C1=NO[C@H](N1)[C@@H]1C=C(N=N1)[*:1]
Cc1ccccc1C1=C[C@@H]([C@H]2NC(c3ccccc3C)=NO2)N=N1 Cc1ccccc1[*:1] Cc1ccccc1C1=C[C@H](N=N1)[C@H]1NC(=NO1)[*:1]
CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(-c2ncon2)c1 c1nc(no1)[*:1] CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(c1)[*:1]
CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(-c2ncon2)c1 CC(C)[*:1] O=C1NCCN(C(=O)Nc2cccc(c2)-c2ncon2)[C@@H]1[*:1]
Cc1ccc(Cl)c(O[C@H](C)C(=O)NNc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(Cl)c(c1)O[C@H](C)C(=O)NN[*:1]
COC(=O)/C=C(/CC(C)C)C(=O)[O-] O=C([O-])[*:1] COC(=O)C=C(CC(C)C)[*:1]
COC(=O)/C=C(/CC(C)C)C(=O)[O-] COC(=O)[*:1] CC(C)CC(=C[*:1])C(=O)[O-]
COC(=O)/C=C(/CC(C)C)C(=O)[O-] CC(C)C[*:1] COC(=O)/C=C(\C(=O)[O-])[*:1]
COC(=O)/C=C(/CC(C)C)C(=O)[O-] CC(C)[*:1] COC(=O)/C=C(/C[*:1])C(=O)[O-]
Cn1cc(NC(=O)Cn2cccn2)cn1 c1cnn(c1)[*:1] Cn1cc(cn1)NC(=O)C[*:1]
Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)C(C)C CC(C)[*:1] Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)[*:1]
CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc2ccccc2n1 CC(C)[*:1] [NH3+][C@H]1C[C@@H](C(=O)N[*:1])N(Cc2ccc3ccccc3n2)C1
CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc2ccccc2n1 CC(C)NC(=O)[*:1] [NH3+][C@H]1C[C@H](N(Cc2ccc3ccccc3n2)C1)[*:1]
COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)NC(=O)[C@@H](C)NC(=O)[*:1]
CC(C)(CN[C@@H](c1ccco1)c1ccc(Cl)s1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] Clc1ccc(s1)[C@@H](NC[*:1])c1ccco1
CC(C)(CN[C@@H](c1ccco1)c1ccc(Cl)s1)S(C)(=O)=O c1coc(c1)[*:1] CC(C)(CN[C@@H](c1ccc(Cl)s1)[*:1])S(C)(=O)=O
CC(C)(CN[C@@H](c1ccco1)c1ccc(Cl)s1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CN[C@@H](c1ccco1)c1ccc(Cl)s1)[*:1]
CC(C)(CN[C@@H](c1ccco1)c1ccc(Cl)s1)S(C)(=O)=O Clc1ccc(s1)[*:1] CC(C)(CN[C@@H](c1ccco1)[*:1])S(C)(=O)=O
Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3Cl)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CCNS(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1Cl
Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3Cl)CC2)c1 Clc1ccccc1[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NCCC(=O)N1CCN(CC1)[*:1]
C[C@H]1CN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)C[C@@H](C)S1 CS(=O)(=O)[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)c1oc2ccccc2c1C[*:1]
C[C@H]1CN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)C[C@@H](C)S1 CS(=O)(=O)C[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)c1oc2ccccc2c1[*:1]
CCc1ccccc1NC(=O)[C@@H]1CC(=O)NC2=NC(SC)=NC(=O)[C@@H]21 CCc1ccccc1[*:1] CSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2C(=O)N[*:1]
CC[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)C(C)C c1ccc(cc1)C[*:1] CC[C@H]([NH2+]C[C@H]1C[C@H](O)CN1[*:1])C(C)C
CC[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)C(C)C CC(C)[*:1] CC[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)[*:1]
CC[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)C(C)C c1ccc(cc1)[*:1] CC[C@H]([NH2+]C[C@H]1C[C@H](O)CN1C[*:1])C(C)C
BrCc1c(OCc2nccs2)ccc2ccccc12 c1csc(n1)[*:1] BrCc1c(ccc2ccccc12)OC[*:1]
BrCc1c(OCc2nccs2)ccc2ccccc12 c1csc(C[*:1])n1 BrCc1c(ccc2ccccc12)O[*:1]
CC[NH+](Cc1cc2ccccc2o1)CC1CCOCC1 C1CC(CCO1)[*:1] CC[NH+](Cc1cc2ccccc2o1)C[*:1]
COc1ccc(C(=O)Nc2ccccc2-n2cc(Br)cn2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccccc1-n1cc(Br)cn1
COc1ccc(C(=O)Nc2ccccc2-n2cc(Br)cn2)cc1[N+](=O)[O-] Brc1cnn(c1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1[*:1]
CCOc1c(F)cccc1C(=O)Nc1ccccc1-n1cccn1 CCO[*:1] O=C(Nc1ccccc1-n1cccn1)c1cccc(F)c1[*:1]
CCOc1c(F)cccc1C(=O)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] CCOc1c(F)cccc1C(=O)Nc1ccccc1[*:1]
O=C(Nc1ccc(-n2ncc3c(=O)[nH]cnc32)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-n1ncc2c(=O)[nH]cnc21)[*:1]
CCOc1cncc(N(C)C2CCC([NH3+])CC2)n1 CCO[*:1] CN(c1cncc(n1)[*:1])C1CCC([NH3+])CC1
CCOc1cc(C=O)cc(Br)c1OCC(=O)N(C)C CN(C)C(=O)C[*:1] CCOc1cc(C=O)cc(Br)c1O[*:1]
CCOc1cc(C=O)cc(Br)c1OCC(=O)N(C)C CCO[*:1] CN(C)C(=O)COc1c(Br)cc(C=O)cc1[*:1]
CCOc1cc(C=O)cc(Br)c1OCC(=O)N(C)C CN(C)C(=O)[*:1] CCOc1cc(C=O)cc(Br)c1OC[*:1]
C=CC[NH2+]CC(=O)N1CC[C@@H](CC(=O)[O-])C1 C=CC[*:1] O=C([O-])C[C@@H]1CCN(C1)C(=O)C[NH2+][*:1]
C=CC[NH2+]CC(=O)N1CC[C@@H](CC(=O)[O-])C1 O=C([O-])C[*:1] C=CC[NH2+]CC(=O)N1CC[C@@H](C1)[*:1]
C=CC[NH2+]CC(=O)N1CC[C@@H](CC(=O)[O-])C1 O=C([O-])[*:1] C=CC[NH2+]CC(=O)N1CC[C@H](C1)C[*:1]
C[C@@H](O)c1cc(F)ccc1OCCCC(C)(C)C#N CC(C)(C#N)C[*:1] C[C@@H](O)c1cc(F)ccc1OCC[*:1]
C[C@@H](O)c1cc(F)ccc1OCCCC(C)(C)C#N C[C@@H](O)[*:1] CC(C)(C#N)CCCOc1ccc(F)cc1[*:1]
C[C@@H](O)c1cc(F)ccc1OCCCC(C)(C)C#N CC(C)(C#N)[*:1] C[C@@H](O)c1cc(F)ccc1OCCC[*:1]
CC(C)[NH+]1CCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1 CC(C)[*:1] O=C(Nc1cccc(c1)C(=O)N1CC[NH+](CC1)[*:1])c1cccnc1
CC(C)[NH+]1CCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1 c1cncc(c1)[*:1] CC(C)[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)[*:1]
COc1cccc(/N=C(\O)COc2coc(CN3CCSCC3)cc2=O)c1 COc1cccc(c1)[*:1] O=c1cc(CN2CCSCC2)occ1OCC(O)=N[*:1]
COc1cccc(/N=C(\O)COc2coc(CN3CCSCC3)cc2=O)c1 C1CN(CCS1)[*:1] COc1cccc(c1)/N=C(\O)COc1coc(cc1=O)C[*:1]
COc1cccc(/N=C(\O)COc2coc(CN3CCSCC3)cc2=O)c1 C1CN(CCS1)C[*:1] COc1cccc(c1)/N=C(\O)COc1coc(cc1=O)[*:1]
Cc1ccc(C(=O)NC2CCN(C(=O)CC3CCC3)CC2)s1 C1CC(C1)C[*:1] Cc1ccc(s1)C(=O)NC1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)NC2CCN(C(=O)CC3CCC3)CC2)s1 Cc1ccc(s1)[*:1] O=C(CC1CCC1)N1CCC(CC1)NC(=O)[*:1]
Cc1ccc(C(=O)NC2CCN(C(=O)CC3CCC3)CC2)s1 C1CC(C1)[*:1] Cc1ccc(s1)C(=O)NC1CCN(CC1)C(=O)C[*:1]
COCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 COCC[*:1] O=C(N[*:1])c1ccc(cc1)C[NH+]1CCCC1
COCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 COC[*:1] O=C(NC[*:1])c1ccc(cc1)C[NH+]1CCCC1
CC(C)n1cnnc1S(=O)(=O)CCC(=O)Nc1ccc(F)cc1 CC(C)[*:1] O=C(CCS(=O)(=O)c1nncn1[*:1])Nc1ccc(F)cc1
CC(C)n1cnnc1S(=O)(=O)CCC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)n1cnnc1S(=O)(=O)CCC(=O)N[*:1]
CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] CC[C@@H]([NH2+]C1CCN(CC1)C(=O)[*:1])[C@@H]1CCCO1
CCC[C@H]1CN(C(=O)c2cnc(-c3ccccn3)nc2)C[C@@H]1[NH3+] CCC[*:1] [NH3+][C@H]1CN(C[C@@H]1[*:1])C(=O)c1cnc(nc1)-c1ccccn1
CCC[C@H]1CN(C(=O)c2cnc(-c3ccccn3)nc2)C[C@@H]1[NH3+] c1ccc(nc1)[*:1] CCC[C@H]1CN(C[C@@H]1[NH3+])C(=O)c1cnc(nc1)[*:1]
CC1CCN(C(=O)N[C@@H](C)Cc2cccs2)CC1 c1csc(c1)[*:1] CC1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
CC1CCN(C(=O)N[C@@H](C)Cc2cccs2)CC1 c1csc(c1)C[*:1] CC1CCN(CC1)C(=O)N[C@@H](C)[*:1]
CCOc1ccc(F)cc1NC(=O)[C@@H](OC)c1ccccc1 CCO[*:1] CO[C@H](C(=O)Nc1cc(F)ccc1[*:1])c1ccccc1
CCOc1ccc(F)cc1NC(=O)[C@@H](OC)c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccc(F)cc1NC(=O)[C@@H](OC)[*:1]
O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCC1CC1 C1CC1CC[*:1] O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[*:1]
O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCC1CC1 C1CC1C[*:1] O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[*:1]
O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCC1CC1 C1CC1[*:1] O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCC[*:1]
CCOc1ccc([C@H]2/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CC[NH+](C)C)cc1 CCOc1ccc(cc1)[*:1] C[NH+](C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@@H]1[*:1]
CCOc1ccc([C@H]2/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CC[NH+](C)C)cc1 CCO[*:1] C[NH+](C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CC[NH+](C)C)cc1 c1ccc2oc(cc2c1)[*:1] CCOc1ccc(cc1)[C@H]1/C(C(=O)C(=O)N1CC[NH+](C)C)=C(\O)[*:1]
Brc1ccc(-c2nnn(Cc3nc(C4CC4)no3)n2)cc1 C1CC1[*:1] Brc1ccc(cc1)-c1nnn(Cc2nc(no2)[*:1])n1
Brc1ccc(-c2nnn(Cc3nc(C4CC4)no3)n2)cc1 Brc1ccc(cc1)[*:1] C1CC1c1noc(Cn2nnc(n2)[*:1])n1
CCS(=O)(=O)N1CCC[C@H]1C(N)=O NC(=O)[*:1] CCS(=O)(=O)N1CCC[C@@H]1[*:1]
CC[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H](C1)[*:1]
CC[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 C1CC1[*:1] CC[C@H](C[*:1])[NH2+][C@@H]1CCC[C@@H](C1)S(C)(=O)=O
CC[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 C1CC1C[*:1] CC[C@H]([NH2+][C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CCc1ncc(CN(C)C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)s1 C1CO[C@H](C1)CO[*:1] CCc1ncc(CN(C)C(=O)Nc2ccc(C)cc2[*:1])s1
CCc1ncc(CN(C)C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)s1 CCc1ncc(s1)[*:1] Cc1ccc(NC(=O)N(C)C[*:1])c(c1)OC[C@H]1CCCO1
CCc1ncc(CN(C)C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)s1 CCc1ncc(C[*:1])s1 Cc1ccc(NC(=O)N(C)[*:1])c(c1)OC[C@H]1CCCO1
Cc1cccc(OCCC(=O)N2CCC(OCC(C)C)CC2)c1C Cc1cccc(c1C)[*:1] CC(C)COC1CCN(CC1)C(=O)CCO[*:1]
Cc1cccc(OCCC(=O)N2CCC(OCC(C)C)CC2)c1C CC(C)CO[*:1] Cc1cccc(OCCC(=O)N2CCC(CC2)[*:1])c1C
Cc1cccc(OCCC(=O)N2CCC(OCC(C)C)CC2)c1C CC(C)C[*:1] Cc1cccc(OCCC(=O)N2CCC(CC2)O[*:1])c1C
Cc1cccc(OCCC(=O)N2CCC(OCC(C)C)CC2)c1C CC(C)[*:1] Cc1cccc(OCCC(=O)N2CCC(CC2)OC[*:1])c1C
Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)S(=O)(=O)N1CCCc2ccccc21
Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)c1cccc(c1)S(=O)(=O)N1CCCc2ccccc21)[*:1]
Cc1c([C@H](C[NH3+])N(C)C(C)C)cnn1C CC(C)[*:1] Cc1c(cnn1C)[C@H](C[NH3+])N(C)[*:1]
Cc1c([C@H](C[NH3+])N(C)C(C)C)cnn1C CC(C)N(C)[*:1] Cc1c(cnn1C)[C@H](C[NH3+])[*:1]
CC[NH+]1CCN(Cc2ccc(NC(=O)Cc3cn4ccsc4n3)cc2)CC1 c1cn2cc(nc2s1)[*:1] CC[NH+]1CCN(CC1)Cc1ccc(cc1)NC(=O)C[*:1]
CC[NH+]1CCN(Cc2ccc(NC(=O)Cc3cn4ccsc4n3)cc2)CC1 c1cn2cc(C[*:1])nc2s1 CC[NH+]1CCN(CC1)Cc1ccc(cc1)NC(=O)[*:1]
CC(=O)N1CCN(c2ccccc2C[NH+]2CCc3ccc(Cl)cc3C2)CC1 CC(=O)N1CCN(CC1)[*:1] Clc1ccc2CC[NH+](Cc2c1)Cc1ccccc1[*:1]
C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1COc1ccccc1 c1ccc(cc1)OC[*:1] C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1[*:1]
C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1COc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1CO[*:1]
C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1COc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C[*:1]
O=C([C@H]1CN(C(=O)C=C2CCCCC2)c2ccccc2O1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(C=C1CCCCC1)N1C[C@@H](Oc2ccccc21)[*:1]
O=C([C@H]1CN(C(=O)C=C2CCCCC2)c2ccccc2O1)N1CCOCC1 C(=C1CCCCC1)[*:1] O=C([C@H]1CN(C(=O)[*:1])c2ccccc2O1)N1CCOCC1
COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1 COC(=O)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)[*:1]
CNC(=O)[C@H](NC(=O)COc1ccc(F)cc1Cl)c1ccccc1 CNC(=O)[*:1] O=C(COc1ccc(F)cc1Cl)N[C@H](c1ccccc1)[*:1]
CNC(=O)[C@H](NC(=O)COc1ccc(F)cc1Cl)c1ccccc1 Fc1ccc(c(Cl)c1)[*:1] CNC(=O)[C@H](NC(=O)CO[*:1])c1ccccc1
CNC(=O)[C@H](NC(=O)COc1ccc(F)cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@H](NC(=O)COc1ccc(F)cc1Cl)[*:1]
CCN(C[C@@H](C)C#N)C(=O)Nc1c(C(C)C)cccc1C(C)C CC(C)[*:1] CCN(C[C@@H](C)C#N)C(=O)Nc1c(cccc1[*:1])C(C)C
CC[NH2+]C/C(=C\c1ccc2ccccc2c1)C(C)C CC(C)[*:1] CC[NH2+]C/C(=C\c1ccc2ccccc2c1)[*:1]
O=C(CCNc1ncnc2ccc(F)cc12)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCNc1ncnc2ccc(F)cc12)N[*:1]
Cc1c(C(=O)NCC2(c3ccccc3)CCCC2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NCC1(CCCC1)c1ccccc1
Cc1c(C(=O)NCC2(c3ccccc3)CCCC2)cnn1C(C)C c1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)NCC1(CCCC1)[*:1]
C[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)O[*:1]
CCC[NH2+][C@@H](Cc1ccccn1)c1ccc(CC)o1 c1ccc(nc1)[*:1] CCC[NH2+][C@@H](C[*:1])c1ccc(CC)o1
CCC[NH2+][C@@H](Cc1ccccn1)c1ccc(CC)o1 CCC[*:1] CCc1ccc(o1)[C@H](Cc1ccccn1)[NH2+][*:1]
Cn1cc(C(=O)Nc2cccc(-c3nccs3)c2)c(-c2ccccc2)n1 c1csc(n1)[*:1] Cn1cc(C(=O)Nc2cccc(c2)[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)Nc2cccc(-c3nccs3)c2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)Nc2cccc(c2)-c2nccs2)c(n1)[*:1]
CC[C@H](C)NS(=O)(=O)c1ccc(C(F)F)cc1 CC[C@H](C)[*:1] O=S(=O)(N[*:1])c1ccc(cc1)C(F)F
CC[C@H](C)NS(=O)(=O)c1ccc(C(F)F)cc1 FC(F)[*:1] CC[C@H](C)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)NCCC2CC[NH+](C)CC2)c1 CC(=O)N(C)[*:1] C[NH+]1CCC(CCNC(=O)Nc2cccc(c2)[*:1])CC1
Cc1c(C)n(CC(C)C)c2ncnc(Nc3nccs3)c12 c1csc(n1)N[*:1] Cc1c(C)n(CC(C)C)c2ncnc(c12)[*:1]
Cc1c(C)n(CC(C)C)c2ncnc(Nc3nccs3)c12 CC(C)[*:1] Cc1c(C)n(C[*:1])c2ncnc(Nc3nccs3)c12
Cc1c(C)n(CC(C)C)c2ncnc(Nc3nccs3)c12 c1csc(n1)[*:1] Cc1c(C)n(CC(C)C)c2ncnc(N[*:1])c12
Cc1c(C)n(CC(C)C)c2ncnc(Nc3nccs3)c12 CC(C)C[*:1] Cc1c(C)n(c2ncnc(Nc3nccs3)c12)[*:1]
CC[C@H]1Oc2ccc(NC(=O)c3cccc(F)c3)cc2CN(Cc2cccc(OC)c2)C1=O O=C(N[*:1])c1cccc(F)c1 CC[C@H]1Oc2ccc(cc2CN(Cc2cccc(c2)OC)C1=O)[*:1]
CC[C@H]1Oc2ccc(NC(=O)c3cccc(F)c3)cc2CN(Cc2cccc(OC)c2)C1=O Fc1cccc(c1)[*:1] CC[C@H]1Oc2ccc(cc2CN(Cc2cccc(c2)OC)C1=O)NC(=O)[*:1]
CC[C@H]1Oc2ccc(NC(=O)c3cccc(F)c3)cc2CN(Cc2cccc(OC)c2)C1=O COc1cccc(c1)[*:1] CC[C@H]1Oc2ccc(cc2CN(C[*:1])C1=O)NC(=O)c1cccc(F)c1
CC[C@H]1Oc2ccc(NC(=O)c3cccc(F)c3)cc2CN(Cc2cccc(OC)c2)C1=O COc1cccc(c1)C[*:1] CC[C@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)c1cccc(F)c1
CC(=O)c1cc(F)c(N2CCc3ccccc3C2)cc1C CC(=O)[*:1] Cc1cc(c(F)cc1[*:1])N1CCc2ccccc2C1
O=C(C[NH+]1CCC(O)CC1)NCCCC1CCCCC1 C1CCC(CC1)[*:1] O=C(C[NH+]1CCC(O)CC1)NCCC[*:1]
CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 CC(=O)N[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1n[nH]c(C(=O)Nc2cccc(OC(F)(F)F)c2)n1 FC(F)(F)O[*:1] Cc1n[nH]c(n1)C(=O)Nc1cccc(c1)[*:1]
Cc1n[nH]c(C(=O)Nc2cccc(OC(F)(F)F)c2)n1 Cc1n[nH]c(n1)[*:1] O=C(Nc1cccc(c1)OC(F)(F)F)[*:1]
Cc1n[nH]c(C(=O)Nc2cccc(OC(F)(F)F)c2)n1 FC(F)(F)[*:1] Cc1n[nH]c(n1)C(=O)Nc1cccc(c1)O[*:1]
COc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 COc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
CCCN(C1C[NH2+]C1)S(=O)(=O)c1cc(C)c(Br)s1 CCC[*:1] Cc1cc(sc1Br)S(=O)(=O)N(C1C[NH2+]C1)[*:1]
CCN(CC(C)(C)O)C(=O)Cn1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCN(CC(C)(C)O)C(=O)Cn1nnc(n1)[*:1]
CCN(CC(C)(C)O)C(=O)Cn1nnc(-c2ccccc2)n1 CC(C)(O)C[*:1] CCN(C(=O)Cn1nnc(n1)-c1ccccc1)[*:1]
CCN(CC(C)(C)O)C(=O)Cn1nnc(-c2ccccc2)n1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)Cn1nnc(n1)-c1ccccc1
O=C(Cn1cccn1)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 c1cnn(c1)[*:1] O=C(C[*:1])N1CCc2[nH]nc(-c3ccc(cc3)C(F)(F)F)c2C1
O=C(Cn1cccn1)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 FC(F)(F)[*:1] O=C(Cn1cccn1)N1CCc2[nH]nc(-c3ccc(cc3)[*:1])c2C1
O=C(Cn1cccn1)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 c1cnn(c1)C[*:1] O=C(N1CCc2[nH]nc(-c3ccc(cc3)C(F)(F)F)c2C1)[*:1]
CCCCS(=O)(=O)Nc1ccc(C)c(N2CCCC2=O)c1 O=C1CCCN1[*:1] CCCCS(=O)(=O)Nc1ccc(C)c(c1)[*:1]
CCCCS(=O)(=O)Nc1ccc(C)c(N2CCCC2=O)c1 CCCC[*:1] Cc1ccc(cc1N1CCCC1=O)NS(=O)(=O)[*:1]
CCCCS(=O)(=O)Nc1ccc(C)c(N2CCCC2=O)c1 CCC[*:1] Cc1ccc(cc1N1CCCC1=O)NS(=O)(=O)C[*:1]
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2ccco2)on1 FC(F)(F)[*:1] O=C(Nc1cc(cc(c1)[*:1])C(F)(F)F)c1cc(on1)-c1ccco1
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2ccco2)on1 c1coc(c1)[*:1] O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(on1)[*:1]
O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1c[nH]c2ccccc12)[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c2ccccc21 c1cnc(nc1)[*:1] C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCN(C2)[*:1])c2ccccc21
CN(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 CN(c1ccccc1)[*:1] O=C(NC1CCCCC1)[C@H](c1ccccc1)[*:1]
CN(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] CN(c1ccccc1)[C@H](C(=O)NC1CCCCC1)[*:1]
CN(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 C1CCC(CC1)[*:1] CN(c1ccccc1)[C@H](C(=O)N[*:1])c1ccccc1
CN(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] CN([C@H](C(=O)NC1CCCCC1)c1ccccc1)[*:1]
CC(C)c1cccc(N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 CC(C)[*:1] CN(c1cccc(c1)[*:1])S(=O)(=O)c1ccc(cc1)S(C)(=O)=O
CC(C)c1cccc(N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] CC(C)c1cccc(c1)N(C)S(=O)(=O)c1ccc(cc1)[*:1]
CC[C@H](CCO)NC(=O)Nc1nnc(Cc2ccc(C)cc2)s1 Cc1ccc(cc1)[*:1] CC[C@H](CCO)NC(=O)Nc1nnc(C[*:1])s1
CC[C@H](CCO)NC(=O)Nc1nnc(Cc2ccc(C)cc2)s1 OCC[*:1] CC[C@H](NC(=O)Nc1nnc(Cc2ccc(C)cc2)s1)[*:1]
O=C(COc1ncnc2c1cnn2-c1ccccc1)NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(COc1ncnc2c1cnn2[*:1])NC[C@@H]1CCCO1
C[C@@]1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@]1(Cn2c(ccc2-c2ccco2)C(=O)N1C[*:1])C(=O)NC1CCCCC1
C[C@@]1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccc2c(c1)OCO2 c1coc(c1)[*:1] C[C@]1(Cn2c(ccc2[*:1])C(=O)N1Cc1ccc2OCOc2c1)C(=O)NC1CCCCC1
C[C@@]1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccc2c(c1)OCO2 O=C(NC1CCCCC1)[*:1] C[C@]1(Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccc2OCOc2c1)[*:1]
C[C@@]1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccc2c(c1)OCO2 C1CCC(CC1)[*:1] C[C@]1(Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccc2OCOc2c1)C(=O)N[*:1]
C[C@@]1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] C[C@]1(Cn2c(ccc2-c2ccco2)C(=O)N1[*:1])C(=O)NC1CCCCC1
CN1C(=O)[C@]2(CCN(C(=O)Nc3ccc4c(c3)OCO4)C2)c2ccccc21 c1cc2OCOc2cc1[*:1] CN1C(=O)[C@]2(CCN(C2)C(=O)N[*:1])c2ccccc21
CCN(C(=O)c1ccc(-c2n[nH]c(C)n2)cc1)[C@@H](C)CS(=O)(=O)CC CCS(=O)(=O)[*:1] CCN(C(=O)c1ccc(cc1)-c1n[nH]c(C)n1)[C@@H](C)C[*:1]
CCN(C(=O)c1ccc(-c2n[nH]c(C)n2)cc1)[C@@H](C)CS(=O)(=O)CC Cc1nc(n[nH]1)[*:1] CCN(C(=O)c1ccc(cc1)[*:1])[C@@H](C)CS(=O)(=O)CC
CCN(C(=O)c1ccc(-c2n[nH]c(C)n2)cc1)[C@@H](C)CS(=O)(=O)CC CCS(=O)(=O)C[*:1] CCN(C(=O)c1ccc(cc1)-c1n[nH]c(C)n1)[C@@H](C)[*:1]
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cc(C)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cc(C)ccc2C)cc1 Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
COc1cccc([C@H]2CC[NH2+]C[C@H]2c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1CC[NH2+]C[C@@H]1[*:1]
CC(C)Cn1nc(C(=O)NCc2nc3ccccc3s2)c2ccccc2c1=O CC(C)C[*:1] O=C(NCc1nc2ccccc2s1)c1nn(c(=O)c2ccccc12)[*:1]
CC(C)Cn1nc(C(=O)NCc2nc3ccccc3s2)c2ccccc2c1=O CC(C)[*:1] O=C(NCc1nc2ccccc2s1)c1nn(C[*:1])c(=O)c2ccccc12
CC(C)Cn1nc(C(=O)NCc2nc3ccccc3s2)c2ccccc2c1=O c1ccc2sc(nc2c1)[*:1] CC(C)Cn1nc(C(=O)NC[*:1])c2ccccc2c1=O
CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)cc1 CC(=O)NC[*:1] C[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)cc1 CC(=O)NCC[*:1] C[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)cc1 CC(=O)N[*:1] C[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccc(cc1)CC[*:1]
COC(=O)c1cc2ccccc2s1 COC(=O)[*:1] c1ccc2sc(cc2c1)[*:1]
COc1ccc(Cl)cc1CNS(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(Cl)cc1CNS(=O)(=O)[*:1]
COc1ccc(Cl)cc1CNS(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1CNS(=O)(=O)C[*:1]
CC[NH2+][C@@H](C[C@H]1CCCO1)[C@@H]1CCO[C@]2(CCSC2)C1 C1CO[C@H](C1)C[*:1] CC[NH2+][C@@H]([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CC[NH2+][C@@H](C[C@H]1CCCO1)[C@@H]1CCO[C@]2(CCSC2)C1 C1CO[C@H](C1)[*:1] CC[NH2+][C@@H](C[*:1])[C@@H]1CCO[C@]2(CCSC2)C1
CCCN1CC(=O)C(c2n(C)c3ccccc3[n+]2C)=C1N CCC[*:1] Cn1c(C2C(=O)CN(C=2N)[*:1])[n+](C)c2ccccc21
CCOc1c(C)cc(S(=O)(=O)NC[C@](C)(O)C2CC2)cc1C C1CC1[*:1] CCOc1c(C)cc(cc1C)S(=O)(=O)NC[C@](C)(O)[*:1]
CCOc1c(C)cc(S(=O)(=O)NC[C@](C)(O)C2CC2)cc1C CCO[*:1] Cc1cc(cc(C)c1[*:1])S(=O)(=O)NC[C@](C)(O)C1CC1
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(OC[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCC1
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(COC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1)N[*:1]
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1 O=S(=O)(N1CCCCC1)[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])Nc1ccccc1
Cc1nc(CN2CCO[C@@H](/C(N)=N/O)C2)cs1 N/C(=N\O)[*:1] Cc1nc(cs1)CN1CCO[C@@H](C1)[*:1]
O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1)[*:1] O=C(Cn1cnc(cc1=O)[*:1])Nc1ccc(F)c(Cl)c1
O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(Cn1cnc(cc1=O)-c1ccc(F)cc1)N[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21 C1CCC(CC1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)CC2CCCC2)c1 C1CCC(C1)C[*:1] CC(C)NC(=O)c1ccc(Cl)c(c1)NC(=O)[C@H](C)[*:1]
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)CC2CCCC2)c1 C1CCC(C1)[*:1] CC(C)NC(=O)c1ccc(Cl)c(c1)NC(=O)[C@H](C)C[*:1]
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)CC2CCCC2)c1 CC(C)[*:1] C[C@H](CC1CCCC1)C(=O)Nc1cc(ccc1Cl)C(=O)N[*:1]
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)CC2CCCC2)c1 CC(C)NC(=O)[*:1] C[C@H](CC1CCCC1)C(=O)Nc1cc(ccc1Cl)[*:1]
COCc1cccc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c1 COC[*:1] C[C@H]1CN(CC[C@@H]1[NH3+])Cc1cccc(c1)[*:1]
C[C@H](NC(=O)CSc1ccccc1)c1ccccc1Br c1ccc(cc1)[*:1] C[C@H](NC(=O)CS[*:1])c1ccccc1Br
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)c1 O[C@H](c1ccc(Cl)cc1)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N1CCN(CC1)C[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N1CCN(CC1)C[C@H](O)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=S(=O)(N1CCN(CC1)C[C@H](O)c1ccc(Cl)cc1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)c1 O=[N+]([O-])[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCN(CC1)C[C@H](O)c1ccc(Cl)cc1
C[C@H](Sc1nncn1C)C(=O)Nc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](Sc1nncn1C)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Sc1nncn1C)C(=O)Nc1ccc(-n2cncn2)cc1 Cn1cnnc1[*:1] C[C@H](S[*:1])C(=O)Nc1ccc(cc1)-n1cncn1
C[C@H](Sc1nncn1C)C(=O)Nc1ccc(-n2cncn2)cc1 Cn1cnnc1S[*:1] C[C@H](C(=O)Nc1ccc(cc1)-n1cncn1)[*:1]
C[C@@H](CCc1cccn1C)NC(=O)N(C)CCS(C)(=O)=O Cn1cccc1C[*:1] C[C@@H](C[*:1])NC(=O)N(C)CCS(C)(=O)=O
C[C@@H](CCc1cccn1C)NC(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] C[C@@H](CCc1cccn1C)NC(=O)N(C)[*:1]
C[C@@H](CCc1cccn1C)NC(=O)N(C)CCS(C)(=O)=O Cn1cccc1[*:1] C[C@@H](CC[*:1])NC(=O)N(C)CCS(C)(=O)=O
C[C@@H](CCc1cccn1C)NC(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@@H](CCc1cccn1C)NC(=O)N(C)C[*:1]
C[C@@H](CCc1cccn1C)NC(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](CCc1cccn1C)NC(=O)N(C)CC[*:1]
COc1cccc([C@H]2C=C(C(=O)[O-])Nc3nnnn32)c1OC O=C([O-])[*:1] COc1cccc(c1OC)[C@H]1C=C(Nc2nnnn21)[*:1]
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 O=[N+]([O-])c1ncccc1[*:1] C[C@@H](O[*:1])C(=O)Nc1sc2CCCCCc2c1C#N
C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 O=[N+]([O-])[*:1] C[C@@H](Oc1cccnc1[*:1])C(=O)Nc1sc2CCCCCc2c1C#N
COC(=O)C1(NS(=O)(=O)N2CCC[C@@H](C)C2)CCCC1 COC(=O)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)NC1(CCCC1)[*:1]
O=C(Nc1ccncc1)N1C[C@H]2CC=CC[C@H]2C1 c1cc(ccn1)[*:1] O=C(N[*:1])N1C[C@H]2CC=CC[C@H]2C1
CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)CCC2)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)Nc1ccc2CCCC(=O)c2c1)[*:1]
CN(Cc1ccccc1)S(=O)(=O)N(C)C1CCC([NH3+])CC1 c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)N(C)C1CCC([NH3+])CC1
CN(Cc1ccccc1)S(=O)(=O)N(C)C1CCC([NH3+])CC1 c1ccc(cc1)C[*:1] CN(C1CCC([NH3+])CC1)S(=O)(=O)N(C)[*:1]
CS[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 O=[N+]([O-])[*:1] CS[C@@H]1CC[C@H](C1)Nc1ccc(cc1C#N)[*:1]
CC(C)C(=O)NCCC[NH2+][C@@H]1CCCOc2c1ccc(Cl)c2Cl CC(C)[*:1] O=C(NCCC[NH2+][C@@H]1CCCOc2c1ccc(Cl)c2Cl)[*:1]
CC(C)C(=O)NCCC[NH2+][C@@H]1CCCOc2c1ccc(Cl)c2Cl CC(C)C(=O)NC[*:1] Clc1ccc2c(OCCC[C@H]2[NH2+]CC[*:1])c1Cl
CC(C)C(=O)NCCC[NH2+][C@@H]1CCCOc2c1ccc(Cl)c2Cl CC(C)C(=O)N[*:1] Clc1ccc2c(OCCC[C@H]2[NH2+]CCC[*:1])c1Cl
Cc1cc(-c2cncnc2C2CCN(C(=O)c3cnn(C(C)C)c3)CC2)on1 CC(C)[*:1] Cc1cc(on1)-c1cncnc1C1CCN(CC1)C(=O)c1cnn(c1)[*:1]
Cc1cc(-c2cncnc2C2CCN(C(=O)c3cnn(C(C)C)c3)CC2)on1 CC(C)n1cc(cn1)[*:1] Cc1cc(on1)-c1cncnc1C1CCN(CC1)C(=O)[*:1]
Cc1cc(-c2cncnc2C2CCN(C(=O)c3cnn(C(C)C)c3)CC2)on1 Cc1cc(on1)[*:1] CC(C)n1cc(cn1)C(=O)N1CCC(CC1)c1ncncc1[*:1]
Cc1ccccc1C(=O)Nc1ccc(-n2cccc(C(=O)NC3CCCCCC3)c2=O)cc1 Cc1ccccc1C(=O)N[*:1] O=C(NC1CCCCCC1)c1cccn(-c2ccc(cc2)[*:1])c1=O
Cc1ccccc1C(=O)Nc1ccc(-n2cccc(C(=O)NC3CCCCCC3)c2=O)cc1 Cc1ccccc1[*:1] O=C(NC1CCCCCC1)c1cccn(-c2ccc(cc2)NC(=O)[*:1])c1=O
Cc1ccccc1C(=O)Nc1ccc(-n2cccc(C(=O)NC3CCCCCC3)c2=O)cc1 C1CCCC(CC1)[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)-n1cccc(C(=O)N[*:1])c1=O
Cc1ccccc1C(=O)Nc1ccc(-n2cccc(C(=O)NC3CCCCCC3)c2=O)cc1 O=C(NC1CCCCCC1)[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)-n1cccc(c1=O)[*:1]
C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc2ncccc2c1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc2ncccc2c1[*:1]
NNC(=O)COc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] NNC(=O)COc1ccc(cc1)-c1nccc(n1)[*:1]
NNC(=O)COc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1 NNC(=O)CO[*:1] Fc1ccc(cc1)-c1ccnc(n1)-c1ccc(cc1)[*:1]
NNC(=O)COc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1 NNC(=O)[*:1] Fc1ccc(cc1)-c1ccnc(n1)-c1ccc(cc1)OC[*:1]
NNC(=O)COc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1 NNC(=O)C[*:1] Fc1ccc(cc1)-c1ccnc(n1)-c1ccc(cc1)O[*:1]
CSc1nc(C(C)C)nc(C)c1C(=O)N1CCC[C@@H](N2CCCC2=O)C1 O=C1CCCN1[*:1] CSc1nc(nc(C)c1C(=O)N1CCC[C@@H](C1)[*:1])C(C)C
CSc1nc(C(C)C)nc(C)c1C(=O)N1CCC[C@@H](N2CCCC2=O)C1 CC(C)[*:1] CSc1nc(nc(C)c1C(=O)N1CCC[C@H](C1)N1CCCC1=O)[*:1]
Cc1ccc(-c2cc(C(=O)NCCCc3[nH]nc(N)c3C#N)c3ccccc3n2)o1 Cc1ccc(o1)[*:1] N#Cc1c(N)n[nH]c1CCCNC(=O)c1cc(nc2ccccc12)[*:1]
COc1ccc(CNC2CC[NH+](CCN3CCOCC3)CC2)cc1Cl C1CN(CCO1)C[*:1] COc1ccc(cc1Cl)CNC1CC[NH+](CC1)C[*:1]
COc1ccc(CNC2CC[NH+](CCN3CCOCC3)CC2)cc1Cl C1CN(CCO1)[*:1] COc1ccc(cc1Cl)CNC1CC[NH+](CC1)CC[*:1]
COc1ccc(CNC2CC[NH+](CCN3CCOCC3)CC2)cc1Cl C1CN(CCO1)CC[*:1] COc1ccc(cc1Cl)CNC1CC[NH+](CC1)[*:1]
CS[C@@H]1CC[C@@H](NC(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 C1CC1[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)Nc1ccc2nc(oc2c1)[*:1]
CC[C@@H](C)NC(=O)CN1C(=O)N[C@H](c2ccc(SC)cc2)C2=C1COC2=O CSc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)CN1C(=O)N[C@H](C2C(=O)OCC=21)[*:1]
CC[C@@H](C)NC(=O)CN1C(=O)N[C@H](c2ccc(SC)cc2)C2=C1COC2=O CC[C@@H](C)[*:1] CSc1ccc(cc1)[C@H]1NC(=O)N(CC(=O)N[*:1])C2COC(=O)C=21
CC[C@@H](C)NC(=O)CN1C(=O)N[C@H](c2ccc(SC)cc2)C2=C1COC2=O CC[C@@H](C)NC(=O)[*:1] CSc1ccc(cc1)[C@H]1NC(=O)N(C[*:1])C2COC(=O)C=21
CC[C@@H](C)NC(=O)CN1C(=O)N[C@H](c2ccc(SC)cc2)C2=C1COC2=O CC[C@@H](C)NC(=O)C[*:1] CSc1ccc(cc1)[C@H]1NC(=O)N(C2COC(=O)C=21)[*:1]
CCOCC(=O)NNC(=O)/C=C/c1cccc(F)c1 CCO[*:1] O=C(/C=C/c1cccc(F)c1)NNC(=O)C[*:1]
CCOCC(=O)NNC(=O)/C=C/c1cccc(F)c1 CCOC[*:1] O=C(/C=C/c1cccc(F)c1)NNC(=O)[*:1]
CCC1(C[NH2+][C@H](C)CSC(C)(C)C)CC1 CC(C)(C)S[*:1] CCC1(CC1)C[NH2+][C@H](C)C[*:1]
CCC1(C[NH2+][C@H](C)CSC(C)(C)C)CC1 CC(C)(C)[*:1] CCC1(CC1)C[NH2+][C@H](C)CS[*:1]
CCC1(C[NH2+][C@H](C)CSC(C)(C)C)CC1 CCC1(CC1)[*:1] C[C@H](CSC(C)(C)C)[NH2+]C[*:1]
CCc1nnc(CS(=O)(=O)Cc2ccc(C(C)C)cc2)n1C CC(C)[*:1] CCc1nnc(CS(=O)(=O)Cc2ccc(cc2)[*:1])n1C
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)OC[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])OC[C@@H]1CCCO1
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(CCc1ncc(o1)-c1ccc(Cl)cc1)O[*:1]
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(CCc1ncc(o1)-c1ccc(Cl)cc1)OC[*:1]
Cc1cc(C)n(C[C@H](C)C(=O)Nc2cccnc2)n1 c1cncc(c1)[*:1] Cc1cc(C)n(C[C@H](C)C(=O)N[*:1])n1
O=C(c1ccncc1)N1CCC[C@H](c2nncn2-c2ccccc2)C1 c1cc(ccn1)[*:1] O=C(N1CCC[C@@H](C1)c1nncn1-c1ccccc1)[*:1]
O=C(c1ccncc1)N1CCC[C@H](c2nncn2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccncc1)N1CCC[C@@H](C1)c1nncn1[*:1]
CC(C)C[C@@]1(C)C[NH+]=C(N)N1c1ccccc1Br CC(C)C[*:1] C[C@]1(C[NH+]=C(N)N1c1ccccc1Br)[*:1]
CC(C)C[C@@]1(C)C[NH+]=C(N)N1c1ccccc1Br CC(C)[*:1] C[C@@]1(C[NH+]=C(N)N1c1ccccc1Br)C[*:1]
Cc1nn(C)c(C)c1NC(=O)CNc1cccc(Cl)c1OC(C)C CC(C)O[*:1] Cc1nn(C)c(C)c1NC(=O)CNc1cccc(Cl)c1[*:1]
Cc1nn(C)c(C)c1NC(=O)CNc1cccc(Cl)c1OC(C)C CC(C)[*:1] Cc1nn(C)c(C)c1NC(=O)CNc1cccc(Cl)c1O[*:1]
Cc1nn(C)c(C)c1NC(=O)CNc1cccc(Cl)c1OC(C)C Cc1nn(C)c(C)c1[*:1] CC(C)Oc1c(Cl)cccc1NCC(=O)N[*:1]
O=C(CS(=O)(=O)c1cccc[n+]1[O-])NCc1ccccc1F Fc1ccccc1[*:1] O=C(CS(=O)(=O)c1cccc[n+]1[O-])NC[*:1]
O=C(CS(=O)(=O)c1cccc[n+]1[O-])NCc1ccccc1F [O-][n+]1ccccc1[*:1] O=C(CS(=O)(=O)[*:1])NCc1ccccc1F
O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)c1ncn(n1)[*:1]
Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C#N)c(Cl)c1 c1coc(c1)[*:1] Cc1sc(nc1C(=O)Nc1ccc(C#N)c(Cl)c1)[*:1]
CCNC(=O)c1ccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)[nH+]n1 CCNC(=O)[*:1] C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(n[nH+]1)[*:1]
O=C(c1ccsc1)[C@H]1CCCc2cccnc21 c1cc(cs1)[*:1] O=C([C@H]1CCCc2cccnc21)[*:1]
C[NH+](C)Cc1ccc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)o1 c1ccc(cc1)C[*:1] C[NH+](C)Cc1ccc(o1)C(=O)N1CCO[C@@H](C1)C[*:1]
C[NH+](C)Cc1ccc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)o1 c1ccc(cc1)CC[*:1] C[NH+](C)Cc1ccc(o1)C(=O)N1CCO[C@H](C1)[*:1]
C[NH+](C)Cc1ccc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)o1 c1ccc(cc1)[*:1] C[NH+](C)Cc1ccc(o1)C(=O)N1CCO[C@H](CC[*:1])C1
Cc1cc(C(=O)NC2CC[NH+](Cc3cnc4cnccn34)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NC1CC[NH+](CC1)Cc1cnc2cnccn12)[*:1]
O=C(Cc1cccs1)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O c1csc(c1)[*:1] O=C(C[*:1])Oc1ccc2C(=O)/C(=C/c3cc(Cl)cc4COCOc34)Oc2c1
O=C(Cc1cccs1)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O c1csc(c1)C[*:1] O=C1/C(=C/c2cc(Cl)cc3COCOc23)Oc2cc(ccc21)OC(=O)[*:1]
O=C(Cc1cccs1)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O O=C(Cc1cccs1)O[*:1] O=C1/C(=C/c2cc(Cl)cc3COCOc23)Oc2cc(ccc21)[*:1]
FC(F)(F)c1ccc(O[C@H]2CCN(Cc3ccnc(Cl)c3)C2)nc1 FC(F)(F)[*:1] Clc1cc(ccn1)CN1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
FC(F)(F)c1ccc(O[C@H]2CCN(Cc3ccnc(Cl)c3)C2)nc1 Clc1cc(ccn1)C[*:1] FC(F)(F)c1ccc(nc1)O[C@H]1CCN(C1)[*:1]
FC(F)(F)c1ccc(O[C@H]2CCN(Cc3ccnc(Cl)c3)C2)nc1 Clc1cc(ccn1)[*:1] FC(F)(F)c1ccc(nc1)O[C@H]1CCN(C1)C[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)N2CCOC[C@@H]2C2CC2)c1 C1CC1[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)N1CCOC[C@H]1[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)N2CCOC[C@@H]2C2CC2)c1 CN(C)C(=O)[*:1] O=C(Nc1cc(ccc1F)[*:1])N1CCOC[C@@H]1C1CC1
CCCCCC(C)(C)C(=O)Nc1cc(C)nn1C CCCC[*:1] Cc1cc(NC(=O)C(C)(C)C[*:1])n(C)n1
CCCCCC(C)(C)C(=O)Nc1cc(C)nn1C CCCCC[*:1] Cc1cc(NC(=O)C(C)(C)[*:1])n(C)n1
CCCCCC(C)(C)C(=O)Nc1cc(C)nn1C CCC[*:1] Cc1cc(NC(=O)C(C)(C)CC[*:1])n(C)n1
CCCCNC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C CCC[*:1] Cn1c(=O)c(=O)n(C)c2cc(ccc21)S(=O)(=O)CCC(=O)NC[*:1]
CCCCNC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C CCCCNC(=O)C[*:1] Cn1c(=O)c(=O)n(C)c2cc(ccc21)S(=O)(=O)C[*:1]
CCCCNC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C CCCCNC(=O)[*:1] Cn1c(=O)c(=O)n(C)c2cc(ccc21)S(=O)(=O)CC[*:1]
CCCCNC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C CCCC[*:1] Cn1c(=O)c(=O)n(C)c2cc(ccc21)S(=O)(=O)CCC(=O)N[*:1]
Cc1nc(NC(=O)c2ccc(-n3cnnn3)cc2)sc1-c1ccccn1 c1nnnn1[*:1] Cc1nc(NC(=O)c2ccc(cc2)[*:1])sc1-c1ccccn1
Cc1nc(NC(=O)c2ccc(-n3cnnn3)cc2)sc1-c1ccccn1 c1ccc(nc1)[*:1] Cc1nc(NC(=O)c2ccc(cc2)-n2cnnn2)sc1[*:1]
CCc1c(C)nc2nc(-c3cccnc3)nn2c1[O-] c1cncc(c1)[*:1] CCc1c(C)nc2nc(nn2c1[O-])[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@H]2CCC)C1 CCC[*:1] CCCC(=O)N1CCC[C@H](C1)C(=O)N[C@H]1C[C@@H]1[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@H]2CCC)C1 CCC[*:1] CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCN(C[C@@H](C)C#N)C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 C[C@@H](C#N)C[*:1] CCN(C(=O)NC[C@@H]1CC[C@@H](O1)C(=O)[O-])[*:1]
CCN(C[C@@H](C)C#N)C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 C[C@@H](C#N)[*:1] CCN(C[*:1])C(=O)NC[C@@H]1CC[C@@H](O1)C(=O)[O-]
CCN(C[C@@H](C)C#N)C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] CCN(C[C@@H](C)C#N)C(=O)NC[C@@H]1CC[C@H](O1)[*:1]
COc1ccc(Cl)cc1NC1=NC(=O)C[C@@H](C(=O)Nc2ccc(C)cc2)S1 Cc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC1=NC(=O)C[C@H](S1)C(=O)N[*:1]
COc1ccc(Cl)cc1NC1=NC(=O)C[C@@H](C(=O)Nc2ccc(C)cc2)S1 COc1ccc(Cl)cc1[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N=C(N[*:1])S1
COC(=O)c1ccc(NC(=O)C(C)(C)F)cc1 CC(C)(F)[*:1] COC(=O)c1ccc(cc1)NC(=O)[*:1]
COC(=O)c1ccc(NC(=O)C(C)(C)F)cc1 COC(=O)[*:1] CC(C)(F)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](c1ccccc1)S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](c1ccccc1)S(=O)(=O)[C@@H](C)[*:1]
CC[C@H](c1ccccc1)S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CC[C@H](S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1)[*:1]
CC[C@H](N[C@@H](C)C(=O)OC(C)(C)C)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@H](N[C@@H](C)C(=O)OC(C)(C)C)[*:1]
CC[C@H](N[C@@H](C)C(=O)OC(C)(C)C)c1cnn(C)c1 CC(C)(C)[*:1] CC[C@H](N[C@@H](C)C(=O)O[*:1])c1cnn(C)c1
CCNc1nc(Cl)nc(NC2CCCCC2)n1 CCN[*:1] Clc1nc(nc(n1)[*:1])NC1CCCCC1
Cc1nnc2n1CCC[C@@H]2NC(=O)N(C)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)N(C)[C@@H](C)[*:1]
C=CCn1c(SCCO)nc2sc(-c3ccccc3)cc2c1=O OCC[*:1] C=CCn1c(nc2sc(cc2c1=O)-c1ccccc1)S[*:1]
C=CCn1c(SCCO)nc2sc(-c3ccccc3)cc2c1=O OCCS[*:1] C=CCn1c(nc2sc(cc2c1=O)-c1ccccc1)[*:1]
C=CCn1c(SCCO)nc2sc(-c3ccccc3)cc2c1=O c1ccc(cc1)[*:1] C=CCn1c(nc2sc(cc2c1=O)[*:1])SCCO
C=CCn1c(SCCO)nc2sc(-c3ccccc3)cc2c1=O C=CC[*:1] O=c1c2cc(sc2nc(SCCO)n1[*:1])-c1ccccc1
CCSc1nnc2c(n1)O[C@H](C(=O)c1ccccc1)Nc1ccccc1-2 O=C(c1ccccc1)[*:1] CCSc1nnc2-c3ccccc3N[C@@H](Oc2n1)[*:1]
CCSc1nnc2c(n1)O[C@H](C(=O)c1ccccc1)Nc1ccccc1-2 c1ccc(cc1)[*:1] CCSc1nnc2-c3ccccc3N[C@H](Oc2n1)C(=O)[*:1]
CCSc1nnc2c(n1)O[C@H](C(=O)c1ccccc1)Nc1ccccc1-2 CCS[*:1] O=C(c1ccccc1)[C@@H]1Nc2ccccc2-c2nnc(nc2O1)[*:1]
C[C@H]1CC=CC[C@H]1COC(=O)CCc1nc(-c2ncccn2)no1 c1cnc(nc1)[*:1] C[C@H]1CC=CC[C@H]1COC(=O)CCc1nc(no1)[*:1]
Cc1cc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1 c1cc2OCCOc2cc1[*:1] Cc1cc(C(=O)OCC(=O)NC(=O)N[*:1])c2ccccc2n1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccccc1F Fc1ccccc1C[*:1] Cc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccccc1F Fc1ccccc1[*:1] Cc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccccc1F O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1NC(=O)Cc1ccccc1F)[*:1]
Cc1nc([C@H](C)NC(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@H](NC(=O)c1ccc2nc(cn2c1)-c1ccc(F)cc1)[*:1]
Cc1nc([C@H](C)NC(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)n[nH]1 Fc1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@H](C)NC(=O)c1ccc2nc(cn2c1)[*:1]
COc1cc(C)ccc1OCCCOc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1cc(C)ccc1OCCCO[*:1]
C[C@H](CNC(=O)c1ccc(Br)s1)c1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)c1ccc(Br)s1)[*:1]
COC[C@@H](C)Nc1nc(-c2cccnc2)nc2c1CC[NH2+]C2 COC[*:1] C[C@@H](Nc1nc(nc2C[NH2+]CCc21)-c1cccnc1)[*:1]
COC[C@@H](C)Nc1nc(-c2cccnc2)nc2c1CC[NH2+]C2 COC[C@@H](C)N[*:1] c1cncc(c1)-c1nc2C[NH2+]CCc2c(n1)[*:1]
COC[C@@H](C)Nc1nc(-c2cccnc2)nc2c1CC[NH2+]C2 COC[C@@H](C)[*:1] c1cncc(c1)-c1nc2C[NH2+]CCc2c(n1)N[*:1]
COC[C@@H](C)Nc1nc(-c2cccnc2)nc2c1CC[NH2+]C2 c1cncc(c1)[*:1] COC[C@@H](C)Nc1nc(nc2C[NH2+]CCc21)[*:1]
CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](n2nc(C)cc2C)C1 CCC[*:1] Cc1cc(C)n(n1)[C@H]1CCC[C@@](C1)([NH2+][*:1])C(N)=O
CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](n2nc(C)cc2C)C1 NC(=O)[*:1] CCC[NH2+][C@]1(CCC[C@@H](C1)n1nc(C)cc1C)[*:1]
COc1cc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2C)cc(OC)c1OC COc1cc(cc(OC)c1OC)[*:1] Cc1cccc(c1C)N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)[*:1]
COc1cc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2C)cc(OC)c1OC Cc1cccc(c1C)[*:1] COc1cc(cc(OC)c1OC)C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)[*:1]
COc1cc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2C)cc(OC)c1OC Cc1cccc2cc(c(=O)[nH]c12)[*:1] COc1cc(cc(OC)c1OC)C(=O)N(C[*:1])c1cccc(C)c1C
COc1cccc(N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)c(C(=O)[O-])c3)CC2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(cc1C(=O)[O-])N1CCN(CC1)[*:1])c1ccc(F)cc1
COc1cccc(N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)c(C(=O)[O-])c3)CC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)c1ccc(NC(=O)[*:1])c(c1)C(=O)[O-]
COc1cccc(N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)c(C(=O)[O-])c3)CC2)c1 O=C(N[*:1])c1ccc(F)cc1 COc1cccc(c1)N1CCN(CC1)c1ccc(c(c1)C(=O)[O-])[*:1]
COc1cccc(N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)c(C(=O)[O-])c3)CC2)c1 O=C([O-])[*:1] COc1cccc(c1)N1CCN(CC1)c1ccc(NC(=O)c2ccc(F)cc2)c(c1)[*:1]
CCc1ccc(CC)c([C@H](NC)C(F)(F)C(F)F)c1 FC(F)C(F)(F)[*:1] CCc1ccc(CC)c(c1)[C@H](NC)[*:1]
CCc1ccc(CC)c([C@H](NC)C(F)(F)C(F)F)c1 FC(F)[*:1] CCc1ccc(CC)c(c1)[C@H](NC)C(F)(F)[*:1]
C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc[nH]2)[C@@H]1C c1c[nH]c(c1)[*:1] C[C@@H]1CCC[C@H](NC(=O)COC(=O)[*:1])[C@@H]1C
C=CCn1/c(=N\C(=O)Cc2ccc(S(=O)(=O)CC)cc2)sc2cc3c(cc21)OCO3 C=CC[*:1] CCS(=O)(=O)c1ccc(cc1)CC(=O)/N=c1/sc2cc3OCOc3cc2n1[*:1]
C=CCn1/c(=N\C(=O)Cc2ccc(S(=O)(=O)CC)cc2)sc2cc3c(cc21)OCO3 CCS(=O)(=O)[*:1] C=CCn1/c(=N\C(=O)Cc2ccc(cc2)[*:1])sc2cc3OCOc3cc21
Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Br)O3)CN(C[C@@H]1CCCO1)CO2 C1CO[C@@H](C1)C[*:1] Cc1cc2OCN(Cc2c2O/C(=C\c3ccccc3Br)C(=O)c12)[*:1]
Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Br)O3)CN(C[C@@H]1CCCO1)CO2 Brc1ccccc1[*:1] Cc1cc2OCN(Cc2c2OC(=C[*:1])C(=O)c12)C[C@@H]1CCCO1
COc1ccccc1C1(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1 COc1ccccc1[*:1] O=C(NCC1(CCOCC1)c1ccc(F)cc1)C1(CC1)[*:1]
COc1ccccc1C1(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1 Fc1ccc(cc1)[*:1] COc1ccccc1C1(CC1)C(=O)NCC1(CCOCC1)[*:1]
COc1ccc(C(=O)N2CC[NH+](CC(=O)Nc3ccccc3C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C[NH+]1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N2CC[NH+](CC(=O)Nc3ccccc3C)CC2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)C(=O)N1CC[NH+](CC1)CC(=O)N[*:1]
CNC(=O)C12CC3CC(CC(C3)C1)C2 CNC(=O)[*:1] C1C2CC3CC1CC(C2)(C3)[*:1]
CC(C)(C)c1nn2cnnc2n(/N=C/c2ccc(Br)cc2)c1=O Brc1ccc(cc1)[*:1] CC(C)(C)c1nn2cnnc2n(N=C[*:1])c1=O
CC(C)(C)c1nn2cnnc2n(/N=C/c2ccc(Br)cc2)c1=O CC(C)(C)[*:1] O=c1c(nn2cnnc2n1/N=C/c1ccc(Br)cc1)[*:1]
CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nncs1 c1nnc(s1)[*:1] CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nncs1 Clc1ccc(cc1)[*:1] CC[C@H](NS(=O)(=O)[*:1])C(=O)Nc1nncs1
COCCN(CC(F)F)C(=O)C1(c2ccc(F)cc2F)CCCC1 FC(F)C[*:1] COCCN(C(=O)C1(CCCC1)c1ccc(F)cc1F)[*:1]
COCCN(CC(F)F)C(=O)C1(c2ccc(F)cc2F)CCCC1 COCC[*:1] O=C(N(CC(F)F)[*:1])C1(CCCC1)c1ccc(F)cc1F
COCCN(CC(F)F)C(=O)C1(c2ccc(F)cc2F)CCCC1 FC(F)[*:1] COCCN(C[*:1])C(=O)C1(CCCC1)c1ccc(F)cc1F
COCCN(CC(F)F)C(=O)C1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] COCCN(CC(F)F)C(=O)C1(CCCC1)[*:1]
COCCN(CC(F)F)C(=O)C1(c2ccc(F)cc2F)CCCC1 COC[*:1] O=C(N(CC(F)F)C[*:1])C1(CCCC1)c1ccc(F)cc1F
CC(C)=C[C@@H]1[C@@H](/C([O-])=C(\C#N)C(=O)Nc2ccccc2)C1(C)C CC(C)=C[*:1] CC1(C)[C@H](/C([O-])=C(\C#N)C(=O)Nc2ccccc2)[C@H]1[*:1]
CC(C)=C[C@@H]1[C@@H](/C([O-])=C(\C#N)C(=O)Nc2ccccc2)C1(C)C c1ccc(cc1)[*:1] CC(C)=C[C@@H]1[C@@H](/C([O-])=C(\C#N)C(=O)N[*:1])C1(C)C
CC[C@@](C)([C@H](O)Cc1cnn(C)c1)[NH+]1CCCCC1 Cn1cc(cn1)[*:1] CC[C@@](C)([C@H](O)C[*:1])[NH+]1CCCCC1
Cc1cccc(Cl)c1NC(=O)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] Cc1cccc(Cl)c1NC(=O)c1cccc(c1)[*:1]
CCn1cnnc1[C@@H]1CCCN(c2ccc(S(=O)(=O)NC)cc2F)C1 CCn1cnnc1[*:1] CNS(=O)(=O)c1ccc(c(F)c1)N1CCC[C@H](C1)[*:1]
CCn1cnnc1[C@@H]1CCCN(c2ccc(S(=O)(=O)NC)cc2F)C1 CNS(=O)(=O)[*:1] CCn1cnnc1[C@@H]1CCCN(C1)c1ccc(cc1F)[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(F)ccc1Br C[C@@H](C#N)C[*:1] O=C(Nc1cc(F)ccc1Br)C(=O)N[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(F)ccc1Br C[C@@H](C#N)[*:1] O=C(NC[*:1])C(=O)Nc1cc(F)ccc1Br
COc1cc(CN2CCN(c3nc(C)ns3)CC2)ccc1OC(=O)C1CC1 C1CC1[*:1] COc1cc(ccc1OC(=O)[*:1])CN1CCN(CC1)c1nc(C)ns1
COc1cc(CN2CCN(c3nc(C)ns3)CC2)ccc1OC(=O)C1CC1 Cc1nsc(n1)[*:1] COc1cc(ccc1OC(=O)C1CC1)CN1CCN(CC1)[*:1]
COc1cc(CN2CCN(c3nc(C)ns3)CC2)ccc1OC(=O)C1CC1 O=C(O[*:1])C1CC1 COc1cc(ccc1[*:1])CN1CCN(CC1)c1nc(C)ns1
COc1ccccc1CNC(=O)[C@@H](C)Sc1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1CNC(=O)[C@@H](C)S[*:1]
Cc1ccc([C@@H](NC(=O)c2cnccn2)c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)c1cnccn1)[*:1]
Cc1ccc([C@@H](NC(=O)c2cnccn2)c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@@H](c1cccs1)[*:1])c1cnccn1
Cc1ccc([C@@H](NC(=O)c2cnccn2)c2cccs2)cc1 c1cnc(cn1)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)[*:1])c1cccs1
Cc1nc2sccn2c1C[NH+]1CCC(c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] Cc1nc2sccn2c1C[NH+]1CCC(CC1)[*:1]
CCn1nc(C)c2nc(CCCl)n(C3CCCCCC3)c21 C1CCCC(CC1)[*:1] CCn1nc(C)c2nc(CCCl)n(c21)[*:1]
CCn1nc(C)c2nc(CCCl)n(C3CCCCCC3)c21 ClCC[*:1] CCn1nc(C)c2nc(n(c21)C1CCCCCC1)[*:1]
CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)N(C)CCC#N CC(C)[*:1] CC1=C[C@@H](CO)[C@H](C[C@H]1CC(=O)N(C)CCC#N)[*:1]
CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)N(C)CCC#N N#CC[*:1] CC1=C[C@@H](CO)[C@@H](C[C@H]1CC(=O)N(C)C[*:1])C(C)C
CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)N(C)CCC#N N#CCC[*:1] CC1=C[C@@H](CO)[C@@H](C[C@H]1CC(=O)N(C)[*:1])C(C)C
Fc1cccc(F)c1NC(=S)NC1CCCCC1 C1CCC(CC1)[*:1] Fc1cccc(F)c1NC(=S)N[*:1]
CS(=O)(=O)c1ccccc1C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccccc1C(=O)NCC[*:1]
CS(=O)(=O)c1ccccc1C(=O)NCCc1ccccc1 CS(=O)(=O)[*:1] O=C(NCCc1ccccc1)c1ccccc1[*:1]
CS(=O)(=O)c1ccccc1C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] CS(=O)(=O)c1ccccc1C(=O)NC[*:1]
C[C@@H]1CC(C(=O)NCc2nncn2C)C[C@@H](C)O1 Cn1cnnc1[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NC[*:1]
C=CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])C1C2C(=O)CCCC=2NC2CCCC(=O)C=21
C=CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])C1C2C(=O)CCCC=2NC2CCCC(=O)C=21
N#CCCN(Cc1ccco1)C(=O)c1cc(F)ccc1O c1coc(c1)[*:1] N#CCCN(C[*:1])C(=O)c1cc(F)ccc1O
N#CCCN(Cc1ccco1)C(=O)c1cc(F)ccc1O c1coc(c1)C[*:1] N#CCCN(C(=O)c1cc(F)ccc1O)[*:1]
N#CCCN(Cc1ccco1)C(=O)c1cc(F)ccc1O N#CCC[*:1] O=C(c1cc(F)ccc1O)N(Cc1ccco1)[*:1]
N#CCCN(Cc1ccco1)C(=O)c1cc(F)ccc1O N#CC[*:1] O=C(c1cc(F)ccc1O)N(Cc1ccco1)C[*:1]
Cc1cccc([NH+](C(C)C)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)[NH+](C(C)C)[*:1]
O=C(N/N=C/c1ccc(F)cc1)c1cnccn1 c1cnc(cn1)[*:1] O=C(N/N=C/c1ccc(F)cc1)[*:1]
C[C@@H](CCS)CCN1C(=O)CC(C)(C)C1=O C[C@@H](CCS)[*:1] CC1(C)CC(=O)N(CC[*:1])C1=O
C[C@@H](CCS)CCN1C(=O)CC(C)(C)C1=O SCC[*:1] C[C@@H](CCN1C(=O)CC(C)(C)C1=O)[*:1]
COC(=O)c1sc2ccccc2c1NC(=O)CS(=O)(=O)c1ccc(F)cc1 COC(=O)[*:1] O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1c(sc2ccccc12)[*:1]
COC(=O)c1sc2ccccc2c1NC(=O)CS(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1sc2ccccc2c1NC(=O)CS(=O)(=O)[*:1]
CC(C)[C@H]1N=N/C(=N\C(=O)Cn2ccc3ccc(Cl)cc32)S1 CC(C)[*:1] O=C(Cn1ccc2ccc(Cl)cc21)/N=C1\N=N[C@@H](S1)[*:1]
O=C(CCCCl)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O O=C(CCCCl)O[*:1] O=C1/C(=C/c2ccc(F)cc2)Oc2cc(ccc21)[*:1]
O=C(CCCCl)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O Fc1ccc(cc1)[*:1] O=C(CCCCl)Oc1ccc2C(=O)C(=C[*:1])Oc2c1
O=C(CCCCl)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ClCC[*:1] O=C(C[*:1])Oc1ccc2C(=O)/C(=C/c3ccc(F)cc3)Oc2c1
O=C(CCCCl)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ClCCC[*:1] O=C1/C(=C/c2ccc(F)cc2)Oc2cc(ccc21)OC(=O)[*:1]
Cc1cc([C@H](C)NC(=O)NCc2cccc(F)c2)c(C)s1 Fc1cccc(c1)[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)NC[*:1]
Cc1cc([C@H](C)NC(=O)NCc2cccc(F)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)NCc1cccc(F)c1)[*:1]
Cc1ccccc1CCNC(=O)[C@H](C)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 Cc1ccccc1[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)[C@@H](C)C(=O)NCC[*:1]
Cc1ccccc1CCNC(=O)[C@H](C)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 Cc1ccccc1C[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)[C@@H](C)C(=O)NC[*:1]
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccnc2)c1 CCOc1cccc(c1)[*:1] COc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccnc1
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccnc2)c1 c1cncc(c1)[*:1] CCOc1cccc(c1)C(=O)C1=C([O-])C(=O)N(c2nc3ccc(cc3s2)OC)[C@@H]1[*:1]
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccnc2)c1 CCOc1cccc(c1)C(=O)[*:1] COc1ccc2nc(sc2c1)N1C(=O)C([O-])=C([C@@H]1c1cccnc1)[*:1]
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccnc2)c1 CCO[*:1] COc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2cccc(c2)[*:1])[C@@H]1c1cccnc1
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccnc2)c1 COc1ccc2nc(sc2c1)[*:1] CCOc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccnc1)[*:1]
Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)o1 Cc1ccc(o1)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)[*:1]
Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)o1 Cc1n[nH]c(C)c1[*:1] Cc1ccc(o1)[C@H](C)NC(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(C(=O)/N=C(/[N-]c2cccc(C)c2)Nc2nc(=O)c3c([nH]2)CCCC3)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)[N-]/C(=N/C(=O)[*:1])Nc1nc(=O)c2CCCCc2[nH]1
Cc1ccc(C(=O)/N=C(/[N-]c2cccc(C)c2)Nc2nc(=O)c3c([nH]2)CCCC3)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)/N=C(/[N-][*:1])Nc1nc(=O)c2CCCCc2[nH]1
COC[C@H](C)[NH+]1CCN([C@H](C)c2cccc(Cl)c2)CC1 COC[*:1] C[C@H]([NH+]1CCN(CC1)[C@H](C)c1cccc(Cl)c1)[*:1]
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C CCN(CC)C(=O)[*:1] Cc1cc(C=C(C#N)[*:1])c(C)n1CC(C)C
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C CC(C)[*:1] CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(C[*:1])c1C
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C CC(C)C[*:1] CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(c1C)[*:1]
Cc1nc([C@@H](C)[NH2+]C2CCN(c3cccc(NC(=O)C4CC4)c3)CC2)cs1 O=C(N[*:1])C1CC1 Cc1nc(cs1)[C@@H](C)[NH2+]C1CCN(CC1)c1cccc(c1)[*:1]
Cc1nc([C@@H](C)[NH2+]C2CCN(c3cccc(NC(=O)C4CC4)c3)CC2)cs1 Cc1nc(cs1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)c1cccc(c1)NC(=O)C1CC1)[*:1]
Cc1nc([C@@H](C)[NH2+]C2CCN(c3cccc(NC(=O)C4CC4)c3)CC2)cs1 C1CC1[*:1] Cc1nc(cs1)[C@@H](C)[NH2+]C1CCN(CC1)c1cccc(c1)NC(=O)[*:1]
CC(C)[NH+]1CCC(NC(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 CC(C)[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1cn(nn1)-c1ccc(F)cc1
CC(C)[NH+]1CCC(NC(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 Fc1ccc(cc1)[*:1] CC(C)[NH+]1CCC(CC1)NC(=O)c1cn(nn1)[*:1]
O=C([O-])c1cc2c(Cl)c(C(F)(F)F)cnc2n1S(=O)(=O)c1ccccc1 FC(F)(F)[*:1] O=C([O-])c1cc2c(Cl)c(cnc2n1S(=O)(=O)c1ccccc1)[*:1]
O=C([O-])c1cc2c(Cl)c(C(F)(F)F)cnc2n1S(=O)(=O)c1ccccc1 O=C([O-])[*:1] O=S(=O)(c1ccccc1)n1c(cc2c(Cl)c(cnc21)C(F)(F)F)[*:1]
O=C([O-])c1cc2c(Cl)c(C(F)(F)F)cnc2n1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1cc2c(Cl)c(cnc2n1S(=O)(=O)[*:1])C(F)(F)F
C[C@H]1CN(Cc2ccc(C(=O)N(C)C[C@@H](C)c3ccccc3)cc2)C[C@H](C)O1 C[C@@H](c1ccccc1)[*:1] C[C@H]1CN(Cc2ccc(cc2)C(=O)N(C)C[*:1])C[C@H](C)O1
C[C@H]1CN(Cc2ccc(C(=O)N(C)C[C@@H](C)c3ccccc3)cc2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(Cc2ccc(cc2)C(=O)N(C)C[C@@H](C)[*:1])C[C@H](C)O1
C[C@H]1CN(Cc2ccc(C(=O)N(C)C[C@@H](C)c3ccccc3)cc2)C[C@H](C)O1 C[C@H](C[*:1])c1ccccc1 C[C@H]1CN(Cc2ccc(cc2)C(=O)N(C)[*:1])C[C@H](C)O1
CCCn1c(C)nnc1CS(=O)(=O)c1cc(C)ccc1C CCC[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Cc1nnc(C)n1[*:1]
COc1cc(OC)c(-c2nc3cnccn3c2NCc2ccccc2)cc1OC c1ccc(cc1)C[*:1] COc1cc(OC)c(cc1OC)-c1nc2cnccn2c1N[*:1]
COc1cc(OC)c(-c2nc3cnccn3c2NCc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1cc(OC)c(cc1OC)-c1nc2cnccn2c1NC[*:1]
COc1cc(OC)c(-c2nc3cnccn3c2NCc2ccccc2)cc1OC c1ccc(cc1)CN[*:1] COc1cc(OC)c(cc1OC)-c1nc2cnccn2c1[*:1]
CC(C)N(C(=O)CN1C[C@@H](C)OC[C@H]1C)C(C)C CC(C)[*:1] CC(C)N(C(=O)CN1C[C@@H](C)OC[C@H]1C)[*:1]
CC(C)N(C[C@H]1CCCCO1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 CC(C)[*:1] O=c1ccc2cc(ccc2o1)S(=O)(=O)N(C[C@H]1CCCCO1)[*:1]
COC(=O)C[C@H](NC(=O)[C@H](C)OC)c1cccc(Cl)c1 COC(=O)[*:1] CO[C@@H](C)C(=O)N[C@@H](C[*:1])c1cccc(Cl)c1
COC(=O)C[C@H](NC(=O)[C@H](C)OC)c1cccc(Cl)c1 COC(=O)C[*:1] CO[C@@H](C)C(=O)N[C@H](c1cccc(Cl)c1)[*:1]
COC(=O)C[C@H](NC(=O)[C@H](C)OC)c1cccc(Cl)c1 CO[C@@H](C)[*:1] COC(=O)C[C@H](NC(=O)[*:1])c1cccc(Cl)c1
CN(C)N1C(N)=C(C#N)[C@]2(C(=O)N(CC(=O)NC(C)(C)C)c3ccccc32)C2=C1CC(C)(C)CC2=O CC(C)(C)NC(=O)[*:1] CN(C)N1C(N)=C(C#N)[C@]2(C(=O)N(C[*:1])c3ccccc32)C2C(=O)CC(C)(C)CC=21
CN(C)N1C(N)=C(C#N)[C@]2(C(=O)N(CC(=O)NC(C)(C)C)c3ccccc32)C2=C1CC(C)(C)CC2=O CC(C)(C)NC(=O)C[*:1] CN(C)N1C(N)=C(C#N)[C@]2(C(=O)N(c3ccccc32)[*:1])C2C(=O)CC(C)(C)CC=21
CN(C)N1C(N)=C(C#N)[C@]2(C(=O)N(CC(=O)NC(C)(C)C)c3ccccc32)C2=C1CC(C)(C)CC2=O CC(C)(C)[*:1] CN(C)N1C(N)=C(C#N)[C@]2(C(=O)N(CC(=O)N[*:1])c3ccccc32)C2C(=O)CC(C)(C)CC=21
C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccnc(Cl)c1 Cn1cc(cn1)[*:1] C[C@H](N[C@@H]1CCN(C1=O)[*:1])c1ccnc(Cl)c1
C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] C[C@H](N[C@@H]1CCN(C1=O)c1cnn(C)c1)[*:1]
C#CCN(C(=O)NCc1c(CC)noc1CC)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] CCc1noc(CC)c1CNC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(C(=O)NCc1c(CC)noc1CC)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(C(=O)NCc1c(CC)noc1CC)[*:1]
CCOC(=O)CCC(=O)Nc1c2c(nn1-c1cccc(C)c1)CS(=O)(=O)C2 CCOC(=O)C[*:1] Cc1cccc(c1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)C[*:1]
CCOC(=O)CCC(=O)Nc1c2c(nn1-c1cccc(C)c1)CS(=O)(=O)C2 CCOC(=O)CC[*:1] Cc1cccc(c1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)[*:1]
CCOC(=O)CCC(=O)Nc1c2c(nn1-c1cccc(C)c1)CS(=O)(=O)C2 CCOC(=O)[*:1] Cc1cccc(c1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)CC[*:1]
CCOC(=O)CCC(=O)Nc1c2c(nn1-c1cccc(C)c1)CS(=O)(=O)C2 Cc1cccc(c1)[*:1] CCOC(=O)CCC(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)cc2C[C@H]1C C[C@H]1CCCN(C1)C(=O)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N1CCC(CC1)[*:1]
C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cncn3)cc2)CN1c1ccccc1 c1ncn(n1)[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)c1ccc(cc1)[*:1]
C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cncn3)cc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1[*:1])NC(=O)c1ccc(cc1)-n1cncn1
CC(C)NC(=O)CCCC(=O)O[C@H]1CSCc2ccccc21 CC(C)NC(=O)C[*:1] O=C(CC[*:1])O[C@H]1CSCc2ccccc21
CC(C)NC(=O)CCCC(=O)O[C@H]1CSCc2ccccc21 CC(C)NC(=O)[*:1] O=C(CCC[*:1])O[C@H]1CSCc2ccccc21
CC(C)NC(=O)CCCC(=O)O[C@H]1CSCc2ccccc21 CC(C)[*:1] O=C(CCCC(=O)O[C@H]1CSCc2ccccc21)N[*:1]
Cc1nn(-c2ccccc2)c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c1=O c1coc(c1)[*:1] Cc1nn(-c2ccccc2)c(NC(=O)[*:1])c(-c2ccccc2Cl)c1=O
Cc1nn(-c2ccccc2)c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c1=O Clc1ccccc1[*:1] Cc1nn(-c2ccccc2)c(NC(=O)c2ccco2)c(c1=O)[*:1]
Cc1nn(-c2ccccc2)c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c1=O c1ccc(cc1)[*:1] Cc1nn(c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c1=O)[*:1]
Cc1nn(-c2ccccc2)c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c1=O O=C(N[*:1])c1ccco1 Cc1nn(-c2ccccc2)c(c(-c2ccccc2Cl)c1=O)[*:1]
COC(=O)[C@H](CNC(=O)Nc1nccs1)Cc1ccc(O)cc1 Oc1ccc(cc1)[*:1] COC(=O)[C@H](CNC(=O)Nc1nccs1)C[*:1]
COC(=O)[C@H](CNC(=O)Nc1nccs1)Cc1ccc(O)cc1 COC(=O)[*:1] O=C(NC[C@H](Cc1ccc(O)cc1)[*:1])Nc1nccs1
COC(=O)[C@H](CNC(=O)Nc1nccs1)Cc1ccc(O)cc1 c1csc(n1)[*:1] COC(=O)[C@H](CNC(=O)N[*:1])Cc1ccc(O)cc1
COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)CCC1CCCC1 NS(=O)(=O)[*:1] COc1ccc(cc1C(=O)N[C@H](C)CCC1CCCC1)[*:1]
COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)CCC1CCCC1 C1CCC(C1)C[*:1] COc1ccc(cc1C(=O)N[C@H](C)C[*:1])S(N)(=O)=O
COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)CCC1CCCC1 C1CCC(C1)[*:1] COc1ccc(cc1C(=O)N[C@H](C)CC[*:1])S(N)(=O)=O
COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)CCC1CCCC1 C1CCC(C1)CC[*:1] COc1ccc(cc1C(=O)N[C@H](C)[*:1])S(N)(=O)=O
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(O)c2[C@H]3c2ccc(OC)c(OC)c2)cc1OC COc1ccc(cc1OC)[*:1] COc1ccc(cc1OC)[C@H]1C2C(=O)C[C@H](CC=2Nc2[nH]nc(O)c21)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(O)c2[C@H]3c2ccc(OC)c(OC)c2)cc1OC COc1ccc(cc1OC)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2[*:1]
C[C@@H](C1CCN(C(=O)[C@H]2C=C(COc3ccccc3)N=N2)CC1)N1CCOCC1 c1ccc(cc1)OC[*:1] C[C@@H](C1CCN(CC1)C(=O)[C@H]1C=C(N=N1)[*:1])N1CCOCC1
C[C@@H](C1CCN(C(=O)[C@H]2C=C(COc3ccccc3)N=N2)CC1)N1CCOCC1 C[C@@H](N1CCOCC1)[*:1] O=C([C@H]1C=C(COc2ccccc2)N=N1)N1CCC(CC1)[*:1]
C[C@@H](C1CCN(C(=O)[C@H]2C=C(COc3ccccc3)N=N2)CC1)N1CCOCC1 c1ccc(cc1)O[*:1] C[C@@H](C1CCN(CC1)C(=O)[C@H]1C=C(C[*:1])N=N1)N1CCOCC1
C[C@@H](C1CCN(C(=O)[C@H]2C=C(COc3ccccc3)N=N2)CC1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](C1CCN(CC1)C(=O)[C@H]1C=C(COc2ccccc2)N=N1)[*:1]
C[C@@H](C1CCN(C(=O)[C@H]2C=C(COc3ccccc3)N=N2)CC1)N1CCOCC1 c1ccc(cc1)[*:1] C[C@@H](C1CCN(CC1)C(=O)[C@H]1C=C(CO[*:1])N=N1)N1CCOCC1
CCc1nn(-c2ccc(OC)cc2)c(O)c1C1=C(N2CCOCC2)C(=O)N(c2ccc(F)cc2)C1=O COc1ccc(cc1)[*:1] CCc1nn(c(O)c1C1C(=O)N(C(=O)C=1N1CCOCC1)c1ccc(F)cc1)[*:1]
CCc1nn(-c2ccc(OC)cc2)c(O)c1C1=C(N2CCOCC2)C(=O)N(c2ccc(F)cc2)C1=O C1CN(CCO1)[*:1] CCc1nn(-c2ccc(cc2)OC)c(O)c1C1C(=O)N(C(=O)C=1[*:1])c1ccc(F)cc1
CCc1nn(-c2ccc(OC)cc2)c(O)c1C1=C(N2CCOCC2)C(=O)N(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] CCc1nn(-c2ccc(cc2)OC)c(O)c1C1C(=O)N(C(=O)C=1N1CCOCC1)[*:1]
CCC[NH2+][C@@H](c1ccsc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCC[NH2+][C@@H](c1ccsc1)[C@@H]1CCC[C@H](C1)[*:1]
CCC[NH2+][C@@H](c1ccsc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CCC[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[C@@H]([NH2+][*:1])c1ccsc1
CCC[NH2+][C@@H](c1ccsc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 c1cc(cs1)[*:1] CCC[NH2+][C@@H]([C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
Cc1cccc2cc(CN3CC[C@](O)(c4ccccc4)C3)c(-c3cccs3)nc12 c1ccc(cc1)[*:1] Cc1cccc2cc(CN3CC[C@](O)(C3)[*:1])c(nc12)-c1cccs1
Cc1cccc2cc(CN3CC[C@](O)(c4ccccc4)C3)c(-c3cccs3)nc12 c1csc(c1)[*:1] Cc1cccc2cc(CN3CC[C@@](O)(C3)c3ccccc3)c(nc12)[*:1]
NC1=[NH+]C[C@]2(CCOC2)N1C1CCCC1 C1CCC(C1)[*:1] NC1=[NH+]C[C@]2(CCOC2)N1[*:1]
CN(C)c1cc(C(=O)N[C@@H](CO)c2ccccc2F)ccn1 Fc1ccccc1[*:1] CN(C)c1cc(ccn1)C(=O)N[C@@H](CO)[*:1]
CN(C)c1cc(C(=O)N[C@@H](CO)c2ccccc2F)ccn1 CN(C)[*:1] O=C(N[C@@H](CO)c1ccccc1F)c1ccnc(c1)[*:1]
COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccc(Cl)cc1)SC[*:1]
COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1[*:1]
COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 COC(=O)CS[*:1] COc1ccc(cc1)-n1c(nnc1[*:1])-c1ccc(Cl)cc1
COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 COC(=O)C[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccc(Cl)cc1)S[*:1]
COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 Clc1ccc(cc1)[*:1] COC(=O)CSc1nnc(n1-c1ccc(cc1)OC)[*:1]
C[C@H]1CC=CC[C@H]1COC(=O)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] C[C@H]1CC=CC[C@H]1COC(=O)c1cccc(c1)[*:1]
C[C@H]1CC=CC[C@H]1COC(=O)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@H]1CC=CC[C@H]1COC(=O)c1cccc(c1)C[*:1]
COc1ccc(NC(=O)/C=C/SC)c(OC)c1 CSC=C[*:1] COc1ccc(NC(=O)[*:1])c(c1)OC
O=C(NCc1ccc(-n2ccnc2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 c1cn(cn1)[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1C[C@@H]1c1ccc(Cl)cc1
O=C(NCc1ccc(-n2ccnc2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)-n1ccnc1)[C@@H]1C[C@H]1[*:1]
CC(C)Oc1ccc(CNc2cnn(CC(F)(F)F)c2)cc1 FC(F)(F)C[*:1] CC(C)Oc1ccc(cc1)CNc1cnn(c1)[*:1]
CC(C)Oc1ccc(CNc2cnn(CC(F)(F)F)c2)cc1 CC(C)O[*:1] FC(F)(F)Cn1cc(cn1)NCc1ccc(cc1)[*:1]
CC(C)Oc1ccc(CNc2cnn(CC(F)(F)F)c2)cc1 FC(F)(F)[*:1] CC(C)Oc1ccc(cc1)CNc1cnn(c1)C[*:1]
CC(C)Oc1ccc(CNc2cnn(CC(F)(F)F)c2)cc1 CC(C)[*:1] FC(F)(F)Cn1cc(cn1)NCc1ccc(cc1)O[*:1]
CCCOc1nc(Oc2ccc(C)c(C)c2)ccc1N CCC[*:1] Cc1ccc(cc1C)Oc1ccc(N)c(n1)O[*:1]
CCCOc1nc(Oc2ccc(C)c(C)c2)ccc1N CCCO[*:1] Cc1ccc(cc1C)Oc1ccc(N)c(n1)[*:1]
Cc1cc(Nc2ccccc2)nc(SCC[NH+](C)C)n1 c1ccc(cc1)[*:1] Cc1cc(nc(n1)SCC[NH+](C)C)N[*:1]
CC(C)CC(C)(C)CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 CC(C)CC(C)(C)[*:1] O=C(c1cc(c[nH]1)S(=O)(=O)NC[*:1])N1CCCC1
CC(C)CC(C)(C)CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 CC(C)[*:1] CC(C)(CNS(=O)(=O)c1c[nH]c(c1)C(=O)N1CCCC1)C[*:1]
CC(C)CC(C)(C)CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 CC(C)C[*:1] CC(C)(CNS(=O)(=O)c1c[nH]c(c1)C(=O)N1CCCC1)[*:1]
CC(C)CC(C)(C)CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 CC(C)CC(C)(C)C[*:1] O=C(c1cc(c[nH]1)S(=O)(=O)N[*:1])N1CCCC1
CC(C)CC(C)(C)CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] CC(C)CC(C)(C)CNS(=O)(=O)c1c[nH]c(c1)[*:1]
COc1cc(OC)cc(-n2nnc(C(=O)[O-])c2C)c1 O=C([O-])[*:1] COc1cc(cc(c1)-n1nnc(c1C)[*:1])OC
CS(=O)(=O)c1cccc(OCc2c(F)cccc2Br)c1 CS(=O)(=O)[*:1] Fc1cccc(Br)c1COc1cccc(c1)[*:1]
O=C(COC(=O)c1ccc(Cl)cc1)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(COC(=O)c1ccc(Cl)cc1)NC[*:1]
O=C(COC(=O)c1ccc(Cl)cc1)NCc1cccc(Cl)c1 Clc1ccc(cc1)[*:1] O=C(COC(=O)[*:1])NCc1cccc(Cl)c1
CC(C)(C)[C@@H](O)c1c[nH]nc1-c1ccc(F)cc1 CC(C)(C)[C@@H](O)[*:1] Fc1ccc(cc1)-c1n[nH]cc1[*:1]
CC(C)(C)[C@@H](O)c1c[nH]nc1-c1ccc(F)cc1 CC(C)(C)[*:1] O[C@@H](c1c[nH]nc1-c1ccc(F)cc1)[*:1]
O=S(=O)(Cc1sccc1Br)C[C@@H](O)c1ccc(Cl)cc1 Brc1ccsc1[*:1] O=S(=O)(C[C@@H](O)c1ccc(Cl)cc1)C[*:1]
Cc1cccc(C)c1OC[C@H](O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] Cc1cccc(C)c1OC[C@H](O)CN1CCN(CC1)C(=O)[*:1]
Cc1cccc(C)c1OC[C@H](O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 Cc1cccc(C)c1[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)C[C@@H](O)CO[*:1]
C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 C1CC1[*:1] C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(cc1)[*:1]
CCCCOC(=O)[C@](C)([NH3+])CC CCCC[*:1] CC[C@@](C)([NH3+])C(=O)O[*:1]
CCCCOC(=O)[C@](C)([NH3+])CC CCC[*:1] CC[C@@](C)([NH3+])C(=O)OC[*:1]
Cc1ccccc1[C@H](C#N)NC(=O)c1sc(C2CCCC2)nc1C Cc1ccccc1[*:1] Cc1nc(sc1C(=O)N[C@@H](C#N)[*:1])C1CCCC1
Cc1ccccc1[C@H](C#N)NC(=O)c1sc(C2CCCC2)nc1C C1CCC(C1)[*:1] Cc1ccccc1[C@H](C#N)NC(=O)c1sc(nc1C)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)[C@@H]1CCOC1 Clc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)O[C@@H](C)[C@@H]1CCOC1
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)[C@@H]1CCOC1 CC(C)[*:1] C[C@H](OC(=O)[C@H](NC(=O)c1ccccc1Cl)[*:1])[C@@H]1CCOC1
COc1cccc(CNC(=O)[C@@H](C)Sc2ccnc3ccccc23)c1 COc1cccc(c1)[*:1] C[C@@H](Sc1ccnc2ccccc12)C(=O)NC[*:1]
O=C(Cc1ccn[nH]1)NCc1ccc(Sc2ccc(F)cc2)cc1 c1cc([nH]n1)[*:1] O=C(C[*:1])NCc1ccc(cc1)Sc1ccc(F)cc1
O=C(Cc1ccn[nH]1)NCc1ccc(Sc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1ccn[nH]1)NCc1ccc(cc1)S[*:1]
O=C(Cc1ccn[nH]1)NCc1ccc(Sc2ccc(F)cc2)cc1 Fc1ccc(cc1)S[*:1] O=C(Cc1ccn[nH]1)NCc1ccc(cc1)[*:1]
O=C(Cc1ccn[nH]1)NCc1ccc(Sc2ccc(F)cc2)cc1 c1cc(C[*:1])[nH]n1 O=C(NCc1ccc(cc1)Sc1ccc(F)cc1)[*:1]
Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCC[C@@H](C)[NH+]3CCCC3)CC2)[nH]1 Cc1cc(C)c([nH]1)[*:1] C[C@H](CCNC(=O)CC1CCN(CC1)C(=O)[*:1])[NH+]1CCCC1
CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] CCSc1nc(=O)c2c(NC(=O)C[C@H]2[*:1])n1C
CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1c(F)cccc1Cl CCS[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@@H]2c1c(F)cccc1Cl)[*:1]
CCCCc1nnc(NC(=O)CCC(F)(F)F)s1 FC(F)(F)CC[*:1] CCCCc1nnc(NC(=O)[*:1])s1
CCCCc1nnc(NC(=O)CCC(F)(F)F)s1 CCCC[*:1] O=C(CCC(F)(F)F)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)CCC(F)(F)F)s1 FC(F)(F)[*:1] CCCCc1nnc(NC(=O)CC[*:1])s1
CCCCc1nnc(NC(=O)CCC(F)(F)F)s1 CCC[*:1] O=C(CCC(F)(F)F)Nc1nnc(C[*:1])s1
CCCCc1nnc(NC(=O)CCC(F)(F)F)s1 FC(F)(F)C[*:1] CCCCc1nnc(NC(=O)C[*:1])s1
CC[C@@H](NC(=O)NC1(c2noc(C)n2)CCCC1)c1c(C)nn(C)c1C Cc1nc(no1)[*:1] CC[C@@H](NC(=O)NC1(CCCC1)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)NC1(c2noc(C)n2)CCCC1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)NC1(CCCC1)c1noc(C)n1)[*:1]
Cc1ccc(S(=O)(=O)CCCN2C(=O)C[C@](C)(C(C)C)C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)CCCN1C(=O)C[C@](C)(C1=O)[*:1]
Cc1ccc(S(=O)(=O)CCCN2C(=O)C[C@](C)(C(C)C)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@@]1(C)CC(=O)N(CCCS(=O)(=O)[*:1])C1=O
O=C(Cc1cccc(F)c1F)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] O=C(Cc1cccc(F)c1F)Nc1cnn(c1)[*:1]
COC(=O)c1cccc(C(=O)O[C@H]2CCC[C@H]2OC)c1 COC(=O)[*:1] CO[C@@H]1CCC[C@@H]1OC(=O)c1cccc(c1)[*:1]
c1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c[nH]1 c1cc(c[nH]1)[*:1] C1CC[NH+](C1)C[C@@H]1CCN(C1)C[*:1]
Cc1cc(Cl)ccc1NC(=O)COc1ccc(C(=O)NCc2ccccc2)cc1 Cc1cc(Cl)ccc1[*:1] O=C(COc1ccc(cc1)C(=O)NCc1ccccc1)N[*:1]
Cc1cc(Cl)ccc1NC(=O)COc1ccc(C(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1cc(Cl)ccc1NC(=O)COc1ccc(cc1)C(=O)N[*:1]
Cc1cc(Cl)ccc1NC(=O)COc1ccc(C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1NC(=O)COc1ccc(cc1)C(=O)NC[*:1]
c1ccc(-c2nnc(-c3cccnc3NCc3ccccn3)o2)cc1 c1ccc(C[*:1])nc1 c1ccc(cc1)-c1nnc(o1)-c1cccnc1N[*:1]
c1ccc(-c2nnc(-c3cccnc3NCc3ccccn3)o2)cc1 c1ccc(CN[*:1])nc1 c1ccc(cc1)-c1nnc(o1)-c1cccnc1[*:1]
c1ccc(-c2nnc(-c3cccnc3NCc3ccccn3)o2)cc1 c1ccc(cc1)[*:1] c1ccc(CNc2ncccc2-c2nnc(o2)[*:1])nc1
c1ccc(-c2nnc(-c3cccnc3NCc3ccccn3)o2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)-c1nnc(o1)-c1cccnc1NC[*:1]
CN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] c1ccc(cc1)C[*:1] CN([C@@H]1C[C@H](CC[C@@H]1C[NH3+])C(C)(C)C)[*:1]
CN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] CC(C)(C)[*:1] CN(Cc1ccccc1)[C@@H]1C[C@@H](CC[C@@H]1C[NH3+])[*:1]
CN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] c1ccc(cc1)[*:1] CN(C[*:1])[C@@H]1C[C@H](CC[C@@H]1C[NH3+])C(C)(C)C
COC(=O)c1cc2ccc3c(c2oc1=O)CN(c1cccc(Cl)c1)CO3 Clc1cccc(c1)[*:1] COC(=O)c1cc2ccc3OCN(Cc3c2oc1=O)[*:1]
COC(=O)c1cc2ccc3c(c2oc1=O)CN(c1cccc(Cl)c1)CO3 COC(=O)[*:1] O=c1oc2c3CN(COc3ccc2cc1[*:1])c1cccc(Cl)c1
Cc1ccc(C(=O)NCC2CCC(c3nnc(-c4cnccn4)o3)CC2)cn1 Cc1ccc(cn1)[*:1] O=C(NCC1CCC(CC1)c1nnc(o1)-c1cnccn1)[*:1]
Cc1ccc(C(=O)NCC2CCC(c3nnc(-c4cnccn4)o3)CC2)cn1 c1cnc(cn1)[*:1] Cc1ccc(cn1)C(=O)NCC1CCC(CC1)c1nnc(o1)[*:1]
C[C@@H](CCCO)[NH2+]Cc1nc2c(s1)CCC2 OCC[*:1] C[C@@H](C[*:1])[NH2+]Cc1nc2CCCc2s1
C[C@@H](CCCO)[NH2+]Cc1nc2c(s1)CCC2 OCCC[*:1] C[C@@H]([NH2+]Cc1nc2CCCc2s1)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](c1cccs1)C(CC)CC c1csc(c1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N[C@H](C(CC)CC)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](c1cccs1)C(CC)CC CCC(CC)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N[C@H](c1cccs1)[*:1]
CCN1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21 O=C([O-])[*:1] CCN1/C(=N/C(=O)CCC[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
CCN1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21 O=C([O-])C[*:1] CCN1/C(=N/C(=O)CC[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
CCN1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21 O=C([O-])CC[*:1] CCN1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
CCN1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21 O=C([O-])CCC[*:1] CCN1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
CC[C@H](C)C(=O)NCC(=O)Nc1ccc(OC)c2ncccc12 CC[C@H](C)[*:1] COc1ccc(NC(=O)CNC(=O)[*:1])c2cccnc12
CC[C@H](C)C(=O)NCC(=O)Nc1ccc(OC)c2ncccc12 CC[C@H](C)C(=O)N[*:1] COc1ccc(NC(=O)C[*:1])c2cccnc12
CC1(CNC(=O)Nc2cccnc2-n2cncn2)Cc2ccccc2C1 c1ncn(n1)[*:1] CC1(CNC(=O)Nc2cccnc2[*:1])Cc2ccccc2C1
Cn1cc(-c2cccc(C[NH+](C)CC(C)(C)S(C)(=O)=O)c2)cn1 CC(C)(S(C)(=O)=O)[*:1] Cn1cc(cn1)-c1cccc(c1)C[NH+](C)C[*:1]
Cn1cc(-c2cccc(C[NH+](C)CC(C)(C)S(C)(=O)=O)c2)cn1 CS(=O)(=O)[*:1] Cn1cc(cn1)-c1cccc(c1)C[NH+](C)CC(C)(C)[*:1]
Cn1cc(-c2cccc(C[NH+](C)CC(C)(C)S(C)(=O)=O)c2)cn1 Cn1cc(cn1)[*:1] C[NH+](Cc1cccc(c1)[*:1])CC(C)(C)S(C)(=O)=O
CC[C@](O)(CNCc1cnn(C)c1)c1ccc(Br)cc1 Cn1cc(cn1)[*:1] CC[C@](O)(CNC[*:1])c1ccc(Br)cc1
Cc1ccc(NC(=O)C[C@@H](O)c2cccc(F)c2)cc1OCC(F)F FC(F)C[*:1] Cc1ccc(cc1O[*:1])NC(=O)C[C@@H](O)c1cccc(F)c1
Cc1ccc(NC(=O)C[C@@H](O)c2cccc(F)c2)cc1OCC(F)F Fc1cccc(c1)[*:1] Cc1ccc(cc1OCC(F)F)NC(=O)C[C@@H](O)[*:1]
Cc1ccc(NC(=O)C[C@@H](O)c2cccc(F)c2)cc1OCC(F)F FC(F)[*:1] Cc1ccc(cc1OC[*:1])NC(=O)C[C@@H](O)c1cccc(F)c1
Cc1ccc(NC(=O)C[C@@H](O)c2cccc(F)c2)cc1OCC(F)F FC(F)CO[*:1] Cc1ccc(cc1[*:1])NC(=O)C[C@@H](O)c1cccc(F)c1
Cc1ccc(CNC(=O)/C(=C/c2ccccc2)n2nnnc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1nnnn1/C(=C\c1ccccc1)C(=O)N[*:1]
Cc1ccc(CNC(=O)/C(=C/c2ccccc2)n2nnnc2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)C(=C[*:1])n1nnnc1C
Cc1ccc(CNC(=O)/C(=C/c2ccccc2)n2nnnc2C)cc1 Cc1nnnn1[*:1] Cc1ccc(cc1)CNC(=O)C(=Cc1ccccc1)[*:1]
Cc1ccc(CNC(=O)/C(=C/c2ccccc2)n2nnnc2C)cc1 Cc1ccc(cc1)[*:1] Cc1nnnn1/C(=C\c1ccccc1)C(=O)NC[*:1]
C#CCn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(C(=O)OC)ccc21 C#CC[*:1] COC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(cc1)N1C(=O)CCC1=O)n2[*:1]
C#CCn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(C(=O)OC)ccc21 O=C1CCC(=O)N1[*:1] C#CCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cc(ccc21)C(=O)OC
C#CCn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(C(=O)OC)ccc21 COC(=O)[*:1] C#CCn1/c(=N/C(=O)c2ccc(cc2)N2C(=O)CCC2=O)sc2cc(ccc21)[*:1]
Cc1cc(NC(=O)N[C@H](C)CCC(C)C)no1 CC(C)CC[*:1] Cc1cc(no1)NC(=O)N[C@H](C)[*:1]
Cc1cc(NC(=O)N[C@H](C)CCC(C)C)no1 CC(C)C[*:1] Cc1cc(no1)NC(=O)N[C@H](C)C[*:1]
Cc1cc(NC(=O)N[C@H](C)CCC(C)C)no1 CC(C)[*:1] Cc1cc(no1)NC(=O)N[C@H](C)CC[*:1]
Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(C)nc32)cc1 Cc1ccc(cc1)[*:1] Cc1nc(C(N)=O)c2[nH]c(=O)n(c2n1)[*:1]
Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(C)nc32)cc1 NC(=O)[*:1] Cc1ccc(cc1)-n1c(=O)[nH]c2c(nc(C)nc21)[*:1]
COc1cccc(CNC(=O)[C@@H](C)S(=O)(=O)c2ccccc2F)c1 COc1cccc(c1)[*:1] C[C@H](C(=O)NC[*:1])S(=O)(=O)c1ccccc1F
COc1cccc(CNC(=O)[C@@H](C)S(=O)(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] COc1cccc(c1)CNC(=O)[C@@H](C)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)Nc1nnc(s1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1nnc(s1)-c1ccccc1
CCOC[C@@H]1CCN(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)C1 CCO[*:1] C[C@@H](NC(=O)N1CC[C@H](C1)C[*:1])c1nc(cs1)-c1ccccc1
CCOC[C@@H]1CCN(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)C1 CCOC[*:1] C[C@@H](NC(=O)N1CC[C@H](C1)[*:1])c1nc(cs1)-c1ccccc1
CCOC[C@@H]1CCN(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)C1 c1ccc(cc1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)N[C@H](C)c1nc(cs1)[*:1]
C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1nnc(NC(=O)c2ccccc2Cc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nnc(NC(=O)c2ccccc2C[*:1])s1
Cc1nnc(NC(=O)c2ccccc2Cc2ccccc2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])c1ccccc1Cc1ccccc1
Cc1nnc(NC(=O)c2ccccc2Cc2ccccc2)s1 c1ccc(cc1)C[*:1] Cc1nnc(NC(=O)c2ccccc2[*:1])s1
Cn1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc21 NC(=O)[*:1] Cn1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)[*:1])c2ccccc21
Cn1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc21 c1ccc(cc1)[*:1] Cn1cc(/C=C/C(=O)N[C@@H](C[*:1])C(N)=O)c2ccccc21
Cn1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c2ccccc21 c1ccc(cc1)C[*:1] Cn1cc(/C=C/C(=O)N[C@@H](C(N)=O)[*:1])c2ccccc21
CCOCc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 CCOC[*:1] O=C(Nc1ccccc1[*:1])C(=O)N[C@@H]1CCc2cc(Cl)ccc21
CCOCc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 CCO[*:1] O=C(Nc1ccccc1C[*:1])C(=O)N[C@@H]1CCc2cc(Cl)ccc21
Cc1cc(C(=O)[O-])c2c(C)nn(CC(C)C)c2n1 O=C([O-])[*:1] Cc1cc(c2c(C)nn(CC(C)C)c2n1)[*:1]
Cc1cc(C(=O)[O-])c2c(C)nn(CC(C)C)c2n1 CC(C)C[*:1] Cc1cc(C(=O)[O-])c2c(C)nn(c2n1)[*:1]
Cc1cc(C(=O)[O-])c2c(C)nn(CC(C)C)c2n1 CC(C)[*:1] Cc1cc(C(=O)[O-])c2c(C)nn(C[*:1])c2n1
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 Cc1n[nH]c(C)c1[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C(C)(C)CNC(=O)N1CCC[C@@H]1[*:1]
CCOC(=O)c1c(C)csc1NC(=O)c1cc(C)no1 Cc1cc(on1)[*:1] CCOC(=O)c1c(C)csc1NC(=O)[*:1]
CCOC(=O)c1c(C)csc1NC(=O)c1cc(C)no1 CCOC(=O)[*:1] Cc1cc(on1)C(=O)Nc1scc(C)c1[*:1]
CCCOc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1 CCC[*:1] OC1CCN(CC1)c1[nH+]cccc1NCc1ccc(cc1)O[*:1]
CCCOc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1 OC1CCN(CC1)[*:1] CCCOc1ccc(cc1)CNc1ccc[nH+]c1[*:1]
CCCOc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)cc1 CCCO[*:1] OC1CCN(CC1)c1[nH+]cccc1NCc1ccc(cc1)[*:1]
Cc1csc([C@@H](C#N)C(=O)[C@H]2C[C@@H]2C)n1 C[C@H]1C[C@@H]1[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)[*:1]
Cn1ncc2c(N3CCC[C@@H](OCc4ccccn4)C3)nc(C3CCCC3)nc21 c1ccc(CO[*:1])nc1 Cn1ncc2c(nc(nc21)C1CCCC1)N1CCC[C@@H](C1)[*:1]
Cn1ncc2c(N3CCC[C@@H](OCc4ccccn4)C3)nc(C3CCCC3)nc21 C1CCC(C1)[*:1] Cn1ncc2c(nc(nc21)[*:1])N1CCC[C@H](C1)OCc1ccccn1
Cn1ncc2c(N3CCC[C@@H](OCc4ccccn4)C3)nc(C3CCCC3)nc21 c1ccc(C[*:1])nc1 Cn1ncc2c(nc(nc21)C1CCCC1)N1CCC[C@H](C1)O[*:1]
Cn1ncc2c(N3CCC[C@@H](OCc4ccccn4)C3)nc(C3CCCC3)nc21 c1ccc(nc1)[*:1] Cn1ncc2c(nc(nc21)C1CCCC1)N1CCC[C@H](C1)OC[*:1]
CC(C)N1CC[C@H]([NH2+][C@@H](C)CCc2ccco2)C1=O c1coc(c1)[*:1] CC(C)N1CC[C@H]([NH2+][C@@H](C)CC[*:1])C1=O
CC(C)N1CC[C@H]([NH2+][C@@H](C)CCc2ccco2)C1=O c1coc(c1)C[*:1] CC(C)N1CC[C@H]([NH2+][C@@H](C)C[*:1])C1=O
CC(C)N1CC[C@H]([NH2+][C@@H](C)CCc2ccco2)C1=O CC(C)[*:1] C[C@@H](CCc1ccco1)[NH2+][C@H]1CCN(C1=O)[*:1]
CC(C)CNC(=O)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 CC(C)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1ncnc2c1oc1ccccc12
CC(C)CNC(=O)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 CC(C)CNC(=O)[*:1] c1ccc2c(c1)oc1c(ncnc12)N1CCC[C@H](C1)[*:1]
CC(C)CNC(=O)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 CC(C)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ncnc2c1oc1ccccc12
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cn1ncc2ccccc21 CNC(=O)[*:1] O=C(Cn1ncc2ccccc21)NCC(=O)N1CCC[C@H]1[*:1]
CC(C)(O)CNC(=O)c1cc(C#N)cs1 CC(C)(O)C[*:1] N#Cc1csc(c1)C(=O)N[*:1]
CC(C)(O)CNC(=O)c1cc(C#N)cs1 CC(C)(O)[*:1] N#Cc1csc(c1)C(=O)NC[*:1]
O=c1[nH]c2ccccc2c(=O)n1CCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=c1[nH]c2ccccc2c(=O)n1CC[*:1]
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C C=CCCO[*:1] CO[C@]1(C)C[C@@H](NC(=O)[C@H](C)[*:1])C1(C)C
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C C=CCC[*:1] CO[C@]1(C)C[C@@H](NC(=O)[C@H](C)O[*:1])C1(C)C
C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C C=CC[*:1] CO[C@]1(C)C[C@@H](NC(=O)[C@H](C)OC[*:1])C1(C)C
NC(=O)[C@H]1CN(CC(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] NC(=O)[C@H]1CN(CC(=O)NC[C@H](C2C[NH+]=c3ccccc3=2)[*:1])c2ccccc21
NC(=O)[C@H]1CN(CC(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)c2ccccc2)c2ccccc21 NC(=O)[*:1] O=C(CN1C[C@@H](c2ccccc21)[*:1])NC[C@H](C1C[NH+]=c2ccccc2=1)c1ccccc1
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)N3CCOCC3)ccc21 O=C(N1CCOCC1)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCC[C@H]1[*:1]
CO[C@H](C(=O)Nc1cccc(-c2ncc(C)o2)c1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)Nc1cccc(c1)-c1ncc(C)o1)[*:1]
CO[C@H](C(=O)Nc1cccc(-c2ncc(C)o2)c1)c1ccccc1 Cc1cnc(o1)[*:1] CO[C@H](C(=O)Nc1cccc(c1)[*:1])c1ccccc1
C[C@H](C#N)[C@@H](O)c1cc(F)ccc1F C[C@H](C#N)[*:1] O[C@@H](c1cc(F)ccc1F)[*:1]
CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)Nc2ncc(Cc4ccccc4)s2)[C@@H]3C1=O c1ccc(cc1)[*:1] CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)Nc2ncc(C[*:1])s2)[C@@H]3C1=O
CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)Nc2ncc(Cc4ccccc4)s2)[C@@H]3C1=O c1ccc(cc1)C[*:1] CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)Nc2ncc(s2)[*:1])[C@@H]3C1=O
CC(C)Oc1ccc([C@H](C)NC(=O)N2CC[C@H]([N+]3=CCCC3)C2)cc1 CC(C)[*:1] C[C@H](NC(=O)N1CC[C@@H](C1)[N+]1=CCCC1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H](C)NC(=O)N2CC[C@H]([N+]3=CCCC3)C2)cc1 CC(C)O[*:1] C[C@H](NC(=O)N1CC[C@@H](C1)[N+]1=CCCC1)c1ccc(cc1)[*:1]
CCOc1ncccc1CNc1nc(N)[nH+]cc1CC CCO[*:1] CCc1c[nH+]c(N)nc1NCc1cccnc1[*:1]
Cn1cc(CC[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)cn1 Cn1cc(cn1)C[*:1] O=C1CCC2(CC[NH+](CC2)C[*:1])CN1CCc1c[nH]c[nH+]1
Cn1cc(CC[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)cn1 Cn1cc(cn1)CC[*:1] O=C1CCC2(CC[NH+](CC2)[*:1])CN1CCc1c[nH]c[nH+]1
Cn1cc(CC[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)cn1 Cn1cc(cn1)[*:1] O=C1CCC2(CC[NH+](CC2)CC[*:1])CN1CCc1c[nH]c[nH+]1
Cc1cnc(-c2cccc(NC(=O)c3cnc(Cl)c(Cl)c3)c2)o1 Cc1cnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cnc(Cl)c(Cl)c1
CCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccc(OC)cc3)c([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] CCn1c(=O)n(CC)c2cc(c(cc21)S(=O)(=O)c1ccc(cc1)OC)[*:1]
CCn1c(=O)n(CC)c2cc(S(=O)(=O)c3ccc(OC)cc3)c([N+](=O)[O-])cc21 COc1ccc(cc1)[*:1] CCn1c(=O)n(CC)c2cc(c(cc21)[N+](=O)[O-])S(=O)(=O)[*:1]
COc1cccc([C@@H]2C(C(N)=O)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 COc1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)[C@H]2[*:1]
COc1cccc([C@@H]2C(C(N)=O)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 NC(=O)[*:1] COc1cccc(c1)[C@H]1C2C(=O)CC(C)(C)CC=2OC(N)=C1[*:1]
CCC[NH2+][C@@H](Cc1ccncc1)c1ccc(C)cc1F c1cc(ccn1)[*:1] CCC[NH2+][C@@H](C[*:1])c1ccc(C)cc1F
CCC[NH2+][C@@H](Cc1ccncc1)c1ccc(C)cc1F CCC[*:1] Cc1ccc(c(F)c1)[C@H](Cc1ccncc1)[NH2+][*:1]
CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCCC1 CSCC[*:1] Cc1cc(C)nc(n1)N[C@@H](C(=O)N1CCCC1)[*:1]
CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCCC1 CSC[*:1] Cc1cc(C)nc(n1)N[C@H](C[*:1])C(=O)N1CCCC1
CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CSCC[C@@H](Nc1nc(C)cc(C)n1)[*:1]
CC(C)CN1C(=O)C(=O)c2cccc(F)c21 CC(C)C[*:1] O=C1C(=O)N(c2c(F)cccc21)[*:1]
CC(C)CN1C(=O)C(=O)c2cccc(F)c21 CC(C)[*:1] O=C1C(=O)N(C[*:1])c2c(F)cccc21
CCCc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1 O=[N+]([O-])[*:1] CCCc1ccc(cc1)C1COC(=O)C=1c1ccc(cc1)[*:1]
CCCc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1 CCC[*:1] O=C1OCC(=C1c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1]
COc1ccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)CN1C(=O)NC(C1=O)(c1ccccc1)[*:1]
COc1ccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1F COc1ccc(cc1F)[*:1] O=C1NC(C(=O)N1C[*:1])(c1ccccc1)c1ccccc1
COc1ccc(CC(=O)NNC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](NC(=S)NNC(=O)C[*:1])[C@@H]1C
CC(C)CCCNC(=O)CN1CCC([NH3+])CC1 CC(C)[*:1] [NH3+]C1CCN(CC1)CC(=O)NCCC[*:1]
CC(C)CCCNC(=O)CN1CCC([NH3+])CC1 CC(C)C[*:1] [NH3+]C1CCN(CC1)CC(=O)NCC[*:1]
CC(C)CCCNC(=O)CN1CCC([NH3+])CC1 CC(C)CC[*:1] [NH3+]C1CCN(CC1)CC(=O)NC[*:1]
Cn1cc[nH+]c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 O=[N+]([O-])[*:1] Cn1cc[nH+]c1CN1CC[C@@H](C1)Nc1ccc(cn1)[*:1]
C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C(=O)N(C)Cc1nc(C2CC2)ncc1-c1ccccn1 c1ccc(nc1)[*:1] C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C(=O)N(C)Cc1nc(ncc1[*:1])C1CC1
C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C(=O)N(C)Cc1nc(C2CC2)ncc1-c1ccccn1 C1CC1[*:1] C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C(=O)N(C)Cc1nc(ncc1-c1ccccn1)[*:1]
O=C(c1ccc(C2OCCO2)cc1)c1ccccc1F C1COC(O1)[*:1] O=C(c1ccc(cc1)[*:1])c1ccccc1F
COC(=O)Cn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cc3c(cc21)OCO3 c1ccc2nc(cnc2c1)[*:1] COC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc3OCOc3cc21
COC(=O)Cn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cc3c(cc21)OCO3 COC(=O)C[*:1] O=C(/N=c1\sc2cc3OCOc3cc2n1[*:1])c1cnc2ccccc2n1
COC(=O)Cn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cc3c(cc21)OCO3 COC(=O)[*:1] O=C(/N=c1\sc2cc3OCOc3cc2n1C[*:1])c1cnc2ccccc2n1
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(F)cc2F)c1 CCN(CC)S(=O)(=O)[*:1] O=C(Nc1cc(ccc1N1CCOCC1)[*:1])c1ccc(F)cc1F
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)[*:1])N1CCOCC1
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(F)cc2F)c1 C1CN(CCO1)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c1ccc(F)cc1F)[*:1]
O=C(CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1cccc(F)c1)N1CCNCC1 Fc1cccc(c1)[*:1] O=C(CCN(Cc1ccc(Br)cc1)S(=O)(=O)[*:1])N1CCNCC1
O=C(CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1cccc(F)c1)N1CCNCC1 O=C(N1CCNCC1)[*:1] O=S(=O)(c1cccc(F)c1)N(CC[*:1])Cc1ccc(Br)cc1
O=C(CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1cccc(F)c1)N1CCNCC1 Brc1ccc(cc1)C[*:1] O=C(CCN(S(=O)(=O)c1cccc(F)c1)[*:1])N1CCNCC1
O=C(CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1cccc(F)c1)N1CCNCC1 Brc1ccc(cc1)[*:1] O=C(CCN(C[*:1])S(=O)(=O)c1cccc(F)c1)N1CCNCC1
O=C(CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1cccc(F)c1)N1CCNCC1 O=C(C[*:1])N1CCNCC1 O=S(=O)(c1cccc(F)c1)N(Cc1ccc(Br)cc1)C[*:1]
FC(F)(F)c1ccc(C[NH2+]C2CCOCC2)cc1 FC(F)(F)[*:1] c1cc(ccc1C[NH2+]C1CCOCC1)[*:1]
FC(F)(F)c1ccc(C[NH2+]C2CCOCC2)cc1 C1CC(CCO1)[*:1] FC(F)(F)c1ccc(cc1)C[NH2+][*:1]
C[C@H]1CN(S(=O)(=O)NCCc2ccccc2Cl)C[C@@H](C)O1 Clc1ccccc1[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)NCC[*:1]
O=C(NCCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)N1CCC2(CC1)OCCO2
O=C(NCCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 C(CN1CCOCC1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)N1CCC2(CC1)OCCO2
O=C(NCCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)N1CCC2(CC1)OCCO2
O=C(NCCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 C1CN(CCO1)CC[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)N1CCC2(CC1)OCCO2
Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3c(cc12)C(=O)CCC3 Clc1cccc(c1)[*:1] Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)N[*:1]
CCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 c1ccc(cc1)[*:1] CCC(=O)N1CCC2(CC1)C[C@H](C(=O)N(C2)C1CC1)[*:1]
CCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 C1CC1[*:1] CCC(=O)N1CCC2(CC1)C[C@@H](C(=O)N(C2)[*:1])c1ccccc1
CCC/[NH+]=C/c1c(-c2ccc([N+](=O)[O-])cc2)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O O=[N+]([O-])c1ccc(cc1)[*:1] CCC/[NH+]=C/c1c([nH]n(c1=O)[*:1])-c1ccc(cc1)[N+](=O)[O-]
CCC/[NH+]=C/c1c(-c2ccc([N+](=O)[O-])cc2)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O O=[N+]([O-])[*:1] CCC/[NH+]=C/c1c([nH]n(-c2ccc(cc2)[N+](=O)[O-])c1=O)-c1ccc(cc1)[*:1]
CCC/[NH+]=C/c1c(-c2ccc([N+](=O)[O-])cc2)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O O=[N+]([O-])[*:1] CCC/[NH+]=C/c1c([nH]n(-c2ccc(cc2)[*:1])c1=O)-c1ccc(cc1)[N+](=O)[O-]
CCC/[NH+]=C/c1c(-c2ccc([N+](=O)[O-])cc2)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O O=[N+]([O-])c1ccc(cc1)[*:1] CCC/[NH+]=C/c1c([nH]n(-c2ccc(cc2)[N+](=O)[O-])c1=O)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C)c2cccc(C)c2)c1C CC(=O)[*:1] Cc1cccc(c1)[C@H](C)CNC(=O)c1[nH]c(C)c(c1C)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C)c2cccc(C)c2)c1C Cc1cccc(c1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C)[*:1])c1C
CCOc1ncccc1CNC(=O)Nc1ccc(-c2nnc(C)o2)cc1 CCO[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)NCc1cccnc1[*:1]
CCOc1ncccc1CNC(=O)Nc1ccc(-c2nnc(C)o2)cc1 Cc1nnc(o1)[*:1] CCOc1ncccc1CNC(=O)Nc1ccc(cc1)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)OCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)OCc1nccn1C[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)OCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)OCc1nccn1[*:1]
O=C(N[C@@H](c1nccs1)C1CC1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] O=C(N[C@@H](c1nccs1)C1CC1)N1CCC[C@H]1C[*:1]
O=C(N[C@@H](c1nccs1)C1CC1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 c1csc(n1)[*:1] O=C(N[C@@H](C1CC1)[*:1])N1CCC[C@H]1C[C@@H](O)c1ccccc1
O=C(N[C@@H](c1nccs1)C1CC1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 C1CC1[*:1] O=C(N[C@@H](c1nccs1)[*:1])N1CCC[C@H]1C[C@@H](O)c1ccccc1
O=C(N[C@@H](c1nccs1)C1CC1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H](c1nccs1)C1CC1)N1CCC[C@H]1C[C@@H](O)[*:1]
Cc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4cnn(C)c4C)C(=S)N32)cc1 Cc1c(cnn1C)[*:1] Cc1ccc(cc1)[C@@H]1SC[C@@H]2C(=O)N(C(=S)N21)[*:1]
Cc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4cnn(C)c4C)C(=S)N32)cc1 Cc1ccc(cc1)[*:1] Cc1c(cnn1C)N1C(=O)[C@H]2CS[C@H](N2C1=S)[*:1]
CCOc1ccc(/C=C/C(=O)N(C)CCC#N)cc1OC N#CC[*:1] CCOc1ccc(/C=C/C(=O)N(C)C[*:1])cc1OC
CCOc1ccc(/C=C/C(=O)N(C)CCC#N)cc1OC CCO[*:1] COc1cc(/C=C/C(=O)N(C)CCC#N)ccc1[*:1]
CCOc1ccc(/C=C/C(=O)N(C)CCC#N)cc1OC N#CCC[*:1] CCOc1ccc(/C=C/C(=O)N(C)[*:1])cc1OC
C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C)c1ccc(Br)cc1 CC(C)C[*:1] C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1])c1ccc(Br)cc1
C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C)[*:1]
C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C)c1ccc(Br)cc1 CC(C)[*:1] C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CC[*:1])c1ccc(Br)cc1
C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C)c1ccc(Br)cc1 CC(C)CC[*:1] C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1])c1ccc(Br)cc1
CC(C)(C)Oc1cc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)ccn1 O[C@H](C[*:1])c1ccccc1 CC(C)(C)Oc1cc(ccn1)CNC(=O)N1CCC[C@H]1[*:1]
CC(C)(C)Oc1cc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])N1CCC[C@@H]1C[C@@H](O)c1ccccc1
CC(C)(C)Oc1cc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)ccn1 c1ccc(cc1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)N1CCC[C@@H]1C[C@@H](O)[*:1]
CC(C)(C)Oc1cc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)ccn1 O[C@@H](c1ccccc1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)N1CCC[C@@H]1C[*:1]
CC(C)(C)Oc1cc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])N1CCC[C@@H]1C[C@@H](O)c1ccccc1
Cc1noc(C)c1CCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] Cc1noc(C)c1CCCNC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1noc(C)c1CCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 Cc1noc(C)c1[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)NCCC[*:1]
Cc1nc(COC(=O)[C@@H](Oc2ccc(F)cc2F)C(C)C)no1 Cc1nc(no1)[*:1] CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)OC[*:1]
Cc1nc(COC(=O)[C@@H](Oc2ccc(F)cc2F)C(C)C)no1 CC(C)[*:1] Cc1nc(COC(=O)[C@@H](Oc2ccc(F)cc2F)[*:1])no1
Cc1nc(COC(=O)[C@@H](Oc2ccc(F)cc2F)C(C)C)no1 Cc1nc(C[*:1])no1 CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)O[*:1]
Cc1ccc(-n2[nH]c(C(=O)N3CCN(C)C[C@@H]3C(C)C)cc2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N1CCN(C)C[C@H]1[*:1]
Cc1ccc(-n2[nH]c(C(=O)N3CCN(C)C[C@@H]3C(C)C)cc2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H]1CN(C)CCN1C(=O)c1cc(=O)n([nH]1)[*:1]
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(F)c1 COC(=O)[*:1] COc1ccc(cc1F)S(=O)(=O)Nc1ccccc1[*:1]
CCOc1cc2c(cc1NC(=O)Cc1cc(F)ccc1F)O[C@H](C)C2 Fc1ccc(F)c(c1)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)C[*:1]
CCOc1cc2c(cc1NC(=O)Cc1cc(F)ccc1F)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)NC(=O)Cc1cc(F)ccc1F)[*:1]
COc1ccc(S(=O)(=O)N2CCN(CCO)CC2)c(C)c1C OCC[*:1] COc1ccc(c(C)c1C)S(=O)(=O)N1CCN(CC1)[*:1]
COCCCN1C(=O)c2cccc3cc(NC(C)=O)cc(c23)C1=O COCC[*:1] CC(=O)Nc1cc2C(=O)N(C[*:1])C(=O)c3cccc(c1)c32
COCCCN1C(=O)c2cccc3cc(NC(C)=O)cc(c23)C1=O CC(=O)N[*:1] COCCCN1C(=O)c2cccc3cc(cc(C1=O)c23)[*:1]
COCCCN1C(=O)c2cccc3cc(NC(C)=O)cc(c23)C1=O COCCC[*:1] CC(=O)Nc1cc2C(=O)N(C(=O)c3cccc(c1)c32)[*:1]
COCCCN1C(=O)c2cccc3cc(NC(C)=O)cc(c23)C1=O COC[*:1] CC(=O)Nc1cc2C(=O)N(CC[*:1])C(=O)c3cccc(c1)c32
CC(=O)Nc1cccc(NCc2ccccc2-n2cccn2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NCc1ccccc1-n1cccn1
CC(=O)Nc1cccc(NCc2ccccc2-n2cccn2)c1C c1cnn(c1)[*:1] CC(=O)Nc1cccc(NCc2ccccc2[*:1])c1C
C[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(F)cn1 Fc1ccc(cc1)[*:1] C[C@H](NCC(=O)N[*:1])c1ccc(F)cn1
C[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H](NCC(=O)Nc1ccc(F)cc1)[*:1]
Cc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@H]1C2C(=O)C[C@H](CC=2Nc2ncnn21)[*:1]
Cc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](CC2Nc3ncnn3[C@H](C=21)[*:1])c1ccco1
Cc1ccnc(NC[C@H](C)CC2(C)OCCO2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccnc(NC[C@H](C)CC2(C)OCCO2)c1[*:1]
Cc1ccnc(NC[C@H](C)CC2(C)OCCO2)c1[N+](=O)[O-] CC1(C[*:1])OCCO1 Cc1ccnc(NC[C@H](C)[*:1])c1[N+](=O)[O-]
Cc1ccnc(NC[C@H](C)CC2(C)OCCO2)c1[N+](=O)[O-] CC1(OCCO1)[*:1] Cc1ccnc(NC[C@H](C)C[*:1])c1[N+](=O)[O-]
O=C(NCC1CCN(c2ncccn2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 c1cnc(nc1)[*:1] O=C(NCC1CCN(CC1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(NCC1CCN(c2ncccn2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(NCC1CCN(CC1)c1ncccn1)c1ccc(cc1)[*:1]
Cn1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CCOCC2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(NC1(CCOCC1)c1ccc(F)cc1)[*:1]
Cn1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CCOCC2)cn1 Fc1ccc(cc1)[*:1] Cn1cc(cn1)S(=O)(=O)NC1(CCOCC1)[*:1]
Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)Nc1ccc(Cl)c(Cl)c1
CN(C(=O)c1csc(-c2cnccn2)n1)C1CCCCC1 c1cnc(cn1)[*:1] CN(C(=O)c1csc(n1)[*:1])C1CCCCC1
CN(C(=O)c1csc(-c2cnccn2)n1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1csc(n1)-c1cnccn1)[*:1]
CC(C)c1ccc([C@H](NC(=O)[C@@H](C)n2cncn2)c2cccs2)cc1 c1ncn(n1)[*:1] CC(C)c1ccc(cc1)[C@H](NC(=O)[C@@H](C)[*:1])c1cccs1
CC(C)c1ccc([C@H](NC(=O)[C@@H](C)n2cncn2)c2cccs2)cc1 CC(C)[*:1] C[C@H](C(=O)N[C@@H](c1ccc(cc1)[*:1])c1cccs1)n1cncn1
CC(C)c1ccc([C@H](NC(=O)[C@@H](C)n2cncn2)c2cccs2)cc1 c1csc(c1)[*:1] CC(C)c1ccc(cc1)[C@H](NC(=O)[C@@H](C)n1cncn1)[*:1]
CCc1ccc(NC(=O)c2cccc(C(N)=O)c2)c(C(=O)OC)c1 COC(=O)[*:1] CCc1ccc(NC(=O)c2cccc(c2)C(N)=O)c(c1)[*:1]
CCc1ccc(NC(=O)c2cccc(C(N)=O)c2)c(C(=O)OC)c1 NC(=O)[*:1] CCc1ccc(NC(=O)c2cccc(c2)[*:1])c(c1)C(=O)OC
N#Cc1ccc(SCC(=O)NCC[C@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)SCC(=O)NCC[C@H](O)[*:1]
C[C@@H]1Cn2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3c(Cl)ccc(c32)O1 FC(F)(F)[*:1] C[C@@H]1Cn2cc(C(=O)Nc3cccc(c3)[*:1])c(=O)c3c(Cl)ccc(O1)c32
COc1cc(-c2cccc(CN3CCOCC3)c2)ncn1 C1CN(CCO1)C[*:1] COc1cc(ncn1)-c1cccc(c1)[*:1]
COc1cc(-c2cccc(CN3CCOCC3)c2)ncn1 C1CN(CCO1)[*:1] COc1cc(ncn1)-c1cccc(c1)C[*:1]
CCc1nn(C)cc1/C([O-])=C(\C#N)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CCc1nn(C)cc1/C([O-])=C(\C#N)C(=O)N[*:1]
CCOC(=O)c1csc(NC(=O)COc2ccccc2F)n1 Fc1ccccc1[*:1] CCOC(=O)c1csc(n1)NC(=O)CO[*:1]
CCOC(=O)c1csc(NC(=O)COc2ccccc2F)n1 CCOC(=O)[*:1] O=C(COc1ccccc1F)Nc1nc(cs1)[*:1]
CCCNC(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 Clc1cccc(c1)[*:1] CCCNC(=O)Cn1c(=O)n(C[*:1])c(=O)c2ccccc21
CCCNC(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 CCCNC(=O)[*:1] O=c1c2ccccc2n(C[*:1])c(=O)n1Cc1cccc(Cl)c1
CCCNC(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 Clc1cccc(c1)C[*:1] CCCNC(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
CCCNC(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 CCC[*:1] O=C(Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21)N[*:1]
CCCNC(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 CCCNC(=O)C[*:1] O=c1c2ccccc2n(c(=O)n1Cc1cccc(Cl)c1)[*:1]
CCC[C@H](C[NH3+])c1nnc2ccncn12 CCC[*:1] [NH3+]C[C@H](c1nnc2ccncn12)[*:1]
Cn1c(=O)c2cc(C(=O)Nc3ccc(F)cc3)cnc2n(C)c1=O Fc1ccc(cc1)[*:1] Cn1c(=O)c2cc(cnc2n(C)c1=O)C(=O)N[*:1]
Cc1ccc(/C=N/N2C(=S)[NH+]=N[C@@H]2c2ccccc2Cl)o1 Cc1ccc(o1)[*:1] S=C1[NH+]=N[C@H](c2ccccc2Cl)N1N=C[*:1]
Cc1ccc(/C=N/N2C(=S)[NH+]=N[C@@H]2c2ccccc2Cl)o1 Clc1ccccc1[*:1] Cc1ccc(/C=N/N2C(=S)[NH+]=N[C@H]2[*:1])o1
CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)[O-])cc21 O=C([O-])[*:1] CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(cc21)[*:1]
CCCCSc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(Cl)cc2)s1 CCC[*:1] N#CC(=C\c1ccc(Cl)cc1)/C([O-])=N/c1nnc(SC[*:1])s1
CCCCSc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(Cl)cc2)s1 CCCCS[*:1] N#CC(=C\c1ccc(Cl)cc1)/C([O-])=N/c1nnc(s1)[*:1]
CCCCSc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCCCSc1nnc(/N=C(\[O-])C(C#N)=C[*:1])s1
CCCCSc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(Cl)cc2)s1 CCCC[*:1] N#CC(=C\c1ccc(Cl)cc1)/C([O-])=N/c1nnc(S[*:1])s1
CCN1C(=O)c2c(C(=O)NCc3ccc(F)cc3)ncn2C[C@@]1(C)C(=O)NC1CCCC1 Fc1ccc(cc1)[*:1] CCN1C(=O)c2c(ncn2C[C@@]1(C)C(=O)NC1CCCC1)C(=O)NC[*:1]
CCN1C(=O)c2c(C(=O)NCc3ccc(F)cc3)ncn2C[C@@]1(C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CCN1C(=O)c2c(ncn2C[C@@]1(C)C(=O)N[*:1])C(=O)NCc1ccc(F)cc1
CCN1C(=O)c2c(C(=O)NCc3ccc(F)cc3)ncn2C[C@@]1(C)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] CCN1C(=O)c2c(ncn2C[C@]1(C)[*:1])C(=O)NCc1ccc(F)cc1
CCN1C(=O)c2c(C(=O)NCc3ccc(F)cc3)ncn2C[C@@]1(C)C(=O)NC1CCCC1 Fc1ccc(cc1)C[*:1] CCN1C(=O)c2c(ncn2C[C@@]1(C)C(=O)NC1CCCC1)C(=O)N[*:1]
Cc1cccc(NC(=O)CNC(=O)c2cc3cnn(C(C)C)c3nc2C)c1C CC(C)[*:1] Cc1cccc(NC(=O)CNC(=O)c2cc3cnn(c3nc2C)[*:1])c1C
Cc1cccc(NC(=O)CNC(=O)c2cc3cnn(C(C)C)c3nc2C)c1C Cc1cccc(c1C)[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC(=O)N[*:1]
CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O CC(=O)NC[*:1] CN(CC[*:1])C(=O)N[C@H]1CCN(C1=O)c1cccc(Cl)c1
CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O CC(=O)NCC[*:1] CN(C[*:1])C(=O)N[C@H]1CCN(C1=O)c1cccc(Cl)c1
CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O CC(=O)NCCC[*:1] CN(C(=O)N[C@H]1CCN(C1=O)c1cccc(Cl)c1)[*:1]
CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O Clc1cccc(c1)[*:1] CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(C1=O)[*:1]
CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O CC(=O)N[*:1] CN(CCC[*:1])C(=O)N[C@H]1CCN(C1=O)c1cccc(Cl)c1
COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)Cn2cnc3ccc(F)cc3c2=O)c1 COc1ccccc1[*:1] O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1cc(ccc1O)S(=O)(=O)N[*:1]
COc1ccc(F)c(NC(=O)N2CCC[C@H](c3nc(C)no3)C2)c1 Cc1noc(n1)[*:1] COc1ccc(F)c(c1)NC(=O)N1CCC[C@H](C1)[*:1]
Cc1occc1C(=O)NNC(=O)c1cccc(F)c1 Cc1occc1[*:1] O=C(NNC(=O)[*:1])c1cccc(F)c1
CCn1c(S[C@H](C(=O)NC(=O)NC)c2ccccc2)nnc1C1CC1 CNC(=O)NC(=O)[*:1] CCn1c(nnc1C1CC1)S[C@H](c1ccccc1)[*:1]
CCn1c(S[C@H](C(=O)NC(=O)NC)c2ccccc2)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])S[C@H](C(=O)NC(=O)NC)c1ccccc1
CCn1c(S[C@H](C(=O)NC(=O)NC)c2ccccc2)nnc1C1CC1 c1ccc(cc1)[*:1] CCn1c(nnc1C1CC1)S[C@H](C(=O)NC(=O)NC)[*:1]
Cc1cccc(C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)NC2=S)c1 Cc1cccc(c1)[*:1] CC(C)(C)OC(=O)N1CCC2(CC1)N=C(C(=S)N2)[*:1]
Cc1cccc(C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)NC2=S)c1 CC(C)(C)[*:1] Cc1cccc(c1)C1=NC2(CCN(CC2)C(=O)O[*:1])NC1=S
O=C(Nc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccs1 c1csc(c1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1NC(=O)[*:1]
O=C(Nc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccs1 c1coc(c1)[*:1] O=C(Nc1ccccc1C(=O)NC[C@H]([NH+]1CCCCC1)[*:1])c1cccs1
O=C(Nc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1[*:1]
CSc1nc(N2CCCC2)c2cnn(CCNC(=O)C(C)C)c2n1 CC(C)C(=O)N[*:1] CSc1nc(c2cnn(CC[*:1])c2n1)N1CCCC1
CSc1nc(N2CCCC2)c2cnn(CCNC(=O)C(C)C)c2n1 CC(C)[*:1] CSc1nc(c2cnn(CCNC(=O)[*:1])c2n1)N1CCCC1
CSc1nc(N2CCCC2)c2cnn(CCNC(=O)C(C)C)c2n1 CC(C)C(=O)NCC[*:1] CSc1nc(c2cnn(c2n1)[*:1])N1CCCC1
CSc1nc(N2CCCC2)c2cnn(CCNC(=O)C(C)C)c2n1 CC(C)C(=O)NC[*:1] CSc1nc(c2cnn(C[*:1])c2n1)N1CCCC1
CSc1nc(N2CCCC2)c2cnn(CCNC(=O)C(C)C)c2n1 C1CCN(C1)[*:1] CSc1nc(c2cnn(CCNC(=O)C(C)C)c2n1)[*:1]
O=C(Nc1ccccc1-n1cccn1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccccc1-n1cccn1)C(=O)N[C@@H]1C[C@H]1[*:1]
O=C(Nc1ccccc1-n1cccn1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 c1cnn(c1)[*:1] O=C(Nc1ccccc1[*:1])C(=O)N[C@@H]1C[C@@H]1C1CCCCC1
Cc1cc(C)cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)c1 Cc1cc(C)cc(c1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)/N=C1\CCCCCN1)[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 CC[C@H](C)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 CC[C@H](C)NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
Cc1cc[n+](CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)cc1 Cc1ccc(C)c(c1)[*:1] Cc1cc[n+](cc1)CC(=O)Nc1ccc(cc1)S[*:1]
Cc1cc[n+](CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)cc1 Cc1cc[n+](cc1)C[*:1] Cc1ccc(C)c(c1)Sc1ccc(cc1)NC(=O)[*:1]
Cc1cc[n+](CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)cc1 Cc1cc[n+](cc1)[*:1] Cc1ccc(C)c(c1)Sc1ccc(cc1)NC(=O)C[*:1]
Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(CCC#N)c1ccccc1)CO2 c1ccc(cc1)[*:1] Cc1ccc2OCc3cnn(CC(=O)N(CCC#N)[*:1])c3-c2c1
Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(CCC#N)c1ccccc1)CO2 N#CC[*:1] Cc1ccc2OCc3cnn(CC(=O)N(C[*:1])c4ccccc4)c3-c2c1
Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(CCC#N)c1ccccc1)CO2 N#CCC[*:1] Cc1ccc2OCc3cnn(CC(=O)N(c4ccccc4)[*:1])c3-c2c1
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 c1cc(cc[nH+]1)N[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1CC(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 Cc1noc(C)c1[*:1] O=C(C[*:1])N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1
Cc1noc(C)c1CC(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 Cc1noc(C)c1C[*:1] O=C1C[C@H](CN1Cc1cccc2ccccc12)NC(=O)[*:1]
Cc1ccc(C)c(N2C(SCC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)=NN[C@H]2C)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H]1NN=C(SCC(=O)N2CCC(CC2)n2c(=O)[nH]c3ccccc32)N1[*:1]
Cc1ccc(C)c(N2C(SCC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)=NN[C@H]2C)c1 O=c1[nH]c2ccccc2n1[*:1] Cc1ccc(C)c(c1)N1C(=NN[C@H]1C)SCC(=O)N1CCC(CC1)[*:1]
C#CCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 C#CCNC(=O)[*:1] FC(F)(F)c1nc2ccccc2n1C[*:1]
C#CCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 C#CC[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)N[*:1]
C#CCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] C#CCNC(=O)Cn1c(nc2ccccc21)[*:1]
COc1ccc(OCc2ccc(/C=N/Nc3cnnc([O-])c3Cl)o2)cc1 COc1ccc(cc1)[*:1] [O-]c1nncc(N/N=C/c2ccc(CO[*:1])o2)c1Cl
CCCN1C(SCC(=O)NCc2ccc(Cl)cc2)=NS(=O)(=O)c2ccccc21 CCC[*:1] O=C(CSC1=NS(=O)(=O)c2ccccc2N1[*:1])NCc1ccc(Cl)cc1
CCCN1C(SCC(=O)NCc2ccc(Cl)cc2)=NS(=O)(=O)c2ccccc21 Clc1ccc(cc1)C[*:1] CCCN1C(=NS(=O)(=O)c2ccccc21)SCC(=O)N[*:1]
CCCN1C(SCC(=O)NCc2ccc(Cl)cc2)=NS(=O)(=O)c2ccccc21 Clc1ccc(cc1)[*:1] CCCN1C(=NS(=O)(=O)c2ccccc21)SCC(=O)NC[*:1]
CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@H](O)C1 CCO[*:1] O=C(NC[C@H]1CCC[C@H](O)C1)C(=O)Nc1ccc(F)cc1[*:1]
O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)[C@H]1C[C@H]2CC[C@@H]1O2 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
Cc1cccc(N2C[C@@H](C(=O)NC[C@@H](CC(C)C)N3CCOCC3)CC2=O)c1C Cc1cccc(c1C)[*:1] CC(C)C[C@H](CNC(=O)[C@H]1CC(=O)N(C1)[*:1])N1CCOCC1
Cc1cccc(N2C[C@@H](C(=O)NC[C@@H](CC(C)C)N3CCOCC3)CC2=O)c1C C1CN(CCO1)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)NC[C@@H](CC(C)C)[*:1]
Cc1cccc(N2C[C@@H](C(=O)NC[C@@H](CC(C)C)N3CCOCC3)CC2=O)c1C CC(C)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)NC[C@@H](C[*:1])N1CCOCC1
Cc1cccc(N2C[C@@H](C(=O)NC[C@@H](CC(C)C)N3CCOCC3)CC2=O)c1C CC(C)C[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)NC[C@@H](N1CCOCC1)[*:1]
O=C(NCCCN1CCCCCC1=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 O=C1CCCCCN1C[*:1] O=C(NCC[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
O=C(NCCCN1CCCCCC1=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 O=C1CCCCCN1[*:1] O=C(NCCC[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
Cc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)CNC(=O)[*:1])c1ccc2OCCOc2c1
CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccccc1 Clc1ccc(s1)[*:1] CCn1c(nnc1-c1ccccc1)SCC(=O)[*:1]
CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)c1ccc(Cl)s1
Cc1cc(OCC(=O)N[C@H](C)CCc2ccccc2)ccc1Cl c1ccc(cc1)C[*:1] Cc1cc(ccc1Cl)OCC(=O)N[C@H](C)C[*:1]
Cc1cc(OCC(=O)N[C@H](C)CCc2ccccc2)ccc1Cl c1ccc(cc1)[*:1] Cc1cc(ccc1Cl)OCC(=O)N[C@H](C)CC[*:1]
COC(=O)c1ccccc1C(=O)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 C1CN(CCO1)CC[*:1] COC(=O)c1ccccc1C(=O)N(c1nc2c(F)cccc2s1)[*:1]
COC(=O)c1ccccc1C(=O)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 C1CN(CCO1)[*:1] COC(=O)c1ccccc1C(=O)N(CC[*:1])c1nc2c(F)cccc2s1
COC(=O)c1ccccc1C(=O)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 C1CN(CCO1)C[*:1] COC(=O)c1ccccc1C(=O)N(C[*:1])c1nc2c(F)cccc2s1
COC(=O)c1ccccc1C(=O)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 Fc1cccc2sc(nc12)[*:1] COC(=O)c1ccccc1C(=O)N(CCN1CCOCC1)[*:1]
COC(=O)c1ccccc1C(=O)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 COC(=O)[*:1] O=C(c1ccccc1[*:1])N(CCN1CCOCC1)c1nc2c(F)cccc2s1
COC(=O)c1ccccc1C(=O)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 COC(=O)c1ccccc1[*:1] O=C(N(CCN1CCOCC1)c1nc2c(F)cccc2s1)[*:1]
O=C(Nc1cccc(I)c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 Ic1cccc(c1)[*:1] O=C(N[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCOCC1
CC(C)Cc1cc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)nc(=O)[nH]1 CC(C)[*:1] O=C(Nc1cccc(c1)CCc1nc2ccccc2[nH]1)c1cc(C[*:1])[nH]c(=O)n1
CC(C)Cc1cc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)nc(=O)[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)Cc1cc(nc(=O)[nH]1)C(=O)Nc1cccc(c1)CC[*:1]
CC(C)Cc1cc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)nc(=O)[nH]1 c1ccc2[nH]c(C[*:1])nc2c1 CC(C)Cc1cc(nc(=O)[nH]1)C(=O)Nc1cccc(c1)C[*:1]
CC(C)Cc1cc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)nc(=O)[nH]1 CC(C)C[*:1] O=C(Nc1cccc(c1)CCc1nc2ccccc2[nH]1)c1cc([nH]c(=O)n1)[*:1]
C[C@H]1SCCC[C@H]1[NH2+]CCOCCO OCC[*:1] C[C@H]1SCCC[C@H]1[NH2+]CCO[*:1]
C[C@H]1SCCC[C@H]1[NH2+]CCOCCO OCCO[*:1] C[C@H]1SCCC[C@H]1[NH2+]CC[*:1]
O=C(NC[C@@H](O)c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] O=C(NC[C@@H](O)c1ccc(Cl)cc1)[*:1]
O=C(c1n[nH]c([O-])n1)N1CCN(C(=O)c2c(F)cccc2F)CC1 Fc1cccc(F)c1[*:1] O=C(c1n[nH]c([O-])n1)N1CCN(CC1)C(=O)[*:1]
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2)o1 Fc1cccc(c1)[*:1] COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(o1)[*:1]
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2)o1 COC(=O)[*:1] N#C/C(=C\c1ccc(o1)-c1cccc(F)c1)C(=O)Nc1ccccc1[*:1]
C[C@H]1C[C@@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] C[C@H]1C[C@@H]1NC(=O)N(CC[*:1])C1CCC1
C[C@H]1C[C@@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] C[C@H]1C[C@@H]1NC(=O)N(C1CCC1)[*:1]
C[C@H]1C[C@@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] C[C@H]1C[C@@H]1NC(=O)N(C[*:1])C1CCC1
C[C@H]1C[C@@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] C[C@H]1C[C@@H]1NC(=O)N(CCC(F)(F)F)[*:1]
CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] CSc1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2ccco2)[C@H]1[*:1]
CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1 O=C(c1ccco1)[*:1] CSc1nnc(s1)N1C(=O)C([O-])=C([C@@H]1c1ccc(F)cc1)[*:1]
CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1 CSc1nnc(s1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(F)cc1)[*:1])c1ccco1
CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1 c1coc(c1)[*:1] CSc1nnc(s1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(F)cc1
Cc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2csnn2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)[C@@H](C(=O)NC1CCCC1)N(C[*:1])C(=O)c1csnn1
Cc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2csnn2)c1 O=C(NC1CCCC1)[*:1] Cc1cccc(c1)[C@@H](N(Cc1cccnc1)C(=O)c1csnn1)[*:1]
Cc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2csnn2)c1 c1cncc(c1)C[*:1] Cc1cccc(c1)[C@@H](C(=O)NC1CCCC1)N(C(=O)c1csnn1)[*:1]
Cc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2csnn2)c1 C1CCC(C1)[*:1] Cc1cccc(c1)[C@@H](C(=O)N[*:1])N(Cc1cccnc1)C(=O)c1csnn1
Cc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2csnn2)c1 Cc1cccc(c1)[*:1] O=C(NC1CCCC1)[C@@H](N(Cc1cccnc1)C(=O)c1csnn1)[*:1]
Cc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2csnn2)c1 c1snnc1[*:1] Cc1cccc(c1)[C@@H](C(=O)NC1CCCC1)N(Cc1cccnc1)C(=O)[*:1]
CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)c2n1 C1CN(CCO1)[*:1] CSc1nc(c2cnn(CCNC(=O)[C@@H]3CC(=O)N(C3)c3ccc(F)cc3)c2n1)[*:1]
CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)c2n1 Fc1ccc(cc1)[*:1] CSc1nc(c2cnn(CCNC(=O)[C@@H]3CC(=O)N(C3)[*:1])c2n1)N1CCOCC1
CCn1cc(C(=O)CN2CCOCC2)c2ccccc21 C1CN(CCO1)[*:1] CCn1cc(C(=O)C[*:1])c2ccccc21
CC(C)Oc1ccc(C[NH2+]Cc2csc(C(C)(C)C)n2)cc1 CC(C)[*:1] CC(C)(C)c1nc(cs1)C[NH2+]Cc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(C[NH2+]Cc2csc(C(C)(C)C)n2)cc1 CC(C)O[*:1] CC(C)(C)c1nc(cs1)C[NH2+]Cc1ccc(cc1)[*:1]
CC(C)Oc1ccc(C[NH2+]Cc2csc(C(C)(C)C)n2)cc1 CC(C)(C)[*:1] CC(C)Oc1ccc(cc1)C[NH2+]Cc1csc(n1)[*:1]
CCc1nnsc1C(=O)N1CC[C@@]2(CCc3ccccc3C(=O)N2)C1 CCc1nnsc1[*:1] O=C1N[C@@]2(CCc3ccccc31)CCN(C2)C(=O)[*:1]
COc1ccccc1[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)[NH+](C)C COc1ccccc1[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)[*:1]
COc1ccccc1[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)[NH+](C)C c1coc(c1)[*:1] COc1ccccc1[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[*:1])[NH+](C)C
CC(C)COc1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] CC(C)COc1ccccc1NCC(=O)N[*:1]
CC(C)COc1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1 CC(C)[*:1] O=C(CNc1ccccc1OC[*:1])Nc1ccc(F)c(Cl)c1
CC(C)COc1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1 CC(C)CO[*:1] O=C(CNc1ccccc1[*:1])Nc1ccc(F)c(Cl)c1
CC(C)COc1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1 CC(C)C[*:1] O=C(CNc1ccccc1O[*:1])Nc1ccc(F)c(Cl)c1
CCN(Cc1ccccc1)[C@@H](c1ccncc1)c1nnnn1C(C)(C)C CC(C)(C)[*:1] CCN(Cc1ccccc1)[C@@H](c1ccncc1)c1nnnn1[*:1]
CCN(Cc1ccccc1)[C@@H](c1ccncc1)c1nnnn1C(C)(C)C c1ccc(cc1)C[*:1] CCN([C@@H](c1ccncc1)c1nnnn1C(C)(C)C)[*:1]
CCN(Cc1ccccc1)[C@@H](c1ccncc1)c1nnnn1C(C)(C)C c1cc(ccn1)[*:1] CCN(Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)[*:1]
CCN(Cc1ccccc1)[C@@H](c1ccncc1)c1nnnn1C(C)(C)C c1ccc(cc1)[*:1] CCN(C[*:1])[C@@H](c1ccncc1)c1nnnn1C(C)(C)C
CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1c(C)cnn1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1c(C)cnn1[*:1]
OCc1nc2cc(C(F)(F)F)ccc2s1 FC(F)(F)[*:1] OCc1nc2cc(ccc2s1)[*:1]
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N(Cc1ccccn1)c1ccc(F)cc1 c1ccc(nc1)[*:1] O=C(CSc1nnc(o1)-c1ccc(Cl)cc1)N(C[*:1])c1ccc(F)cc1
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N(Cc1ccccn1)c1ccc(F)cc1 c1ccc(C[*:1])nc1 O=C(CSc1nnc(o1)-c1ccc(Cl)cc1)N(c1ccc(F)cc1)[*:1]
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N(Cc1ccccn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1ccc(Cl)cc1)N(Cc1ccccn1)[*:1]
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N(Cc1ccccn1)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])N(Cc1ccccn1)c1ccc(F)cc1
C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] C[C@@H]1CCC[C@H]1NC(=O)c1ccc(cc1)[*:1]
C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@H]1NC(=O)c1ccc(cc1)O[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)Nc1c(Br)cc(Br)cc1C(=O)[O-] O=C([O-])[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1c(Br)cc(Br)cc1[*:1]
Cc1csc([C@H]2C(=O)NC(SCC(=O)NC(=O)NCc3ccccc3)=C(C#N)C23CCCC3)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@H]1C(=O)NC(SCC(=O)NC(=O)NC[*:1])=C(C#N)C12CCCC2
Cc1csc([C@H]2C(=O)NC(SCC(=O)NC(=O)NCc3ccccc3)=C(C#N)C23CCCC3)n1 Cc1csc(n1)[*:1] N#CC1=C(NC(=O)[C@@H](C12CCCC2)[*:1])SCC(=O)NC(=O)NCc1ccccc1
Cc1csc([C@H]2C(=O)NC(SCC(=O)NC(=O)NCc3ccccc3)=C(C#N)C23CCCC3)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)[C@H]1C(=O)NC(SCC(=O)NC(=O)N[*:1])=C(C#N)C12CCCC2
C[NH2+][C@@]1(C(N)=O)CC[C@H](SCc2ccco2)C1 c1coc(c1)[*:1] C[NH2+][C@]1(CC[C@@H](C1)SC[*:1])C(N)=O
C[NH2+][C@@]1(C(N)=O)CC[C@H](SCc2ccco2)C1 NC(=O)[*:1] C[NH2+][C@]1(CC[C@@H](C1)SCc1ccco1)[*:1]
O=C(Nc1cccc(F)c1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] O=C(Nc1cccc(F)c1)NC1CC[NH+](CC1)C[*:1]
O=C(Nc1cccc(F)c1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(F)c(F)c1)N[*:1]
C[NH+]1CCN(C(C)(C)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)N[C@@H]1CCN(C1=O)[*:1]
COC(=O)c1cc(CN(C)C(=O)C(=O)Nc2ccc(C(C)C)cc2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CN(C)C(=O)C(=O)Nc1ccc(cc1)C(C)C
COC(=O)c1cc(CN(C)C(=O)C(=O)Nc2ccc(C(C)C)cc2)oc1C CC(C)[*:1] COC(=O)c1cc(CN(C)C(=O)C(=O)Nc2ccc(cc2)[*:1])oc1C
COC(=O)c1cc(CN(C)C(=O)C(=O)Nc2ccc(C(C)C)cc2)oc1C CC(C)c1ccc(cc1)[*:1] COC(=O)c1cc(CN(C)C(=O)C(=O)N[*:1])oc1C
C[C@H](CC(=O)NCC(C)(C)N1CCOCC1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)NCC(C)(C)N1CCOCC1)C[*:1]
C[C@H](CC(=O)NCC(C)(C)N1CCOCC1)Cc1ccc(Cl)cc1 C1CN(CCO1)[*:1] C[C@H](CC(=O)NCC(C)(C)[*:1])Cc1ccc(Cl)cc1
C[C@H](CC(=O)NCC(C)(C)N1CCOCC1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@H](CC(=O)NCC(C)(C)N1CCOCC1)[*:1]
O=C([O-])CCCCCc1cc2c(cc1Br)OCCCO2 O=C([O-])[*:1] Brc1cc2OCCCOc2cc1CCCCC[*:1]
O=C([O-])CCCCCc1cc2c(cc1Br)OCCCO2 O=C([O-])CC[*:1] Brc1cc2OCCCOc2cc1CCC[*:1]
O=C([O-])CCCCCc1cc2c(cc1Br)OCCCO2 O=C([O-])CCC[*:1] Brc1cc2OCCCOc2cc1CC[*:1]
O=C([O-])CCCCCc1cc2c(cc1Br)OCCCO2 O=C([O-])C[*:1] Brc1cc2OCCCOc2cc1CCCC[*:1]
CC(C)(CN1C(=O)C(=O)c2c(Cl)cccc21)C(=O)NN NNC(=O)[*:1] CC(C)(CN1C(=O)C(=O)c2c(Cl)cccc21)[*:1]
COc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] COc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)O[*:1]
COc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C COc1ccccc1C[*:1] CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
COc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C COc1ccccc1[*:1] CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[*:1]
COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H]1Sc2ccc(C)n2N[C@@H]1[*:1]
COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 Cc1ccc(Cl)cc1[*:1] COc1ccc(cc1)[C@H]1Nn2c(C)ccc2S[C@H]1C(=O)N[*:1]
CNc1cc(C)[nH+]c(N2CCC[C@@]3(CCC(=O)N(CCCOC)C3)C2)n1 COCC[*:1] CNc1cc(C)[nH+]c(n1)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
CNc1cc(C)[nH+]c(N2CCC[C@@]3(CCC(=O)N(CCCOC)C3)C2)n1 COC[*:1] CNc1cc(C)[nH+]c(n1)N1CCC[C@@]2(CCC(=O)N(CC[*:1])C2)C1
CNc1cc(C)[nH+]c(N2CCC[C@@]3(CCC(=O)N(CCCOC)C3)C2)n1 COCCC[*:1] CNc1cc(C)[nH+]c(n1)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
Cc1ccc(C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)c(=O)[nH]1 CC(C)[*:1] Cc1ccc(C(=O)NCc2ccnc(c2)O[C@H](C)C[*:1])c(=O)[nH]1
Cc1ccc(C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)c(=O)[nH]1 Cc1ccc(c(=O)[nH]1)[*:1] CC(C)C[C@@H](C)Oc1cc(ccn1)CNC(=O)[*:1]
Cc1ccc(C(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)c(=O)[nH]1 CC(C)C[*:1] Cc1ccc(C(=O)NCc2ccnc(c2)O[C@H](C)[*:1])c(=O)[nH]1
O=C(NCc1nnc2ccccn12)NCC1CCC1 C1CC(C1)[*:1] O=C(NCc1nnc2ccccn12)NC[*:1]
O=C(NCc1nnc2ccccn12)NCC1CCC1 C1CC(C1)C[*:1] O=C(NCc1nnc2ccccn12)N[*:1]
Cc1c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cnn1C(C)C c1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)NCC(C)(C)[NH2+][C@@H](C)[*:1]
Cc1c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cnn1C(C)C C[C@@H](c1ccccc1)[*:1] Cc1c(cnn1C(C)C)C(=O)NCC(C)(C)[NH2+][*:1]
Cc1c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1
N#C[C@@H]1CN(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])CCO1 O=C([O-])[*:1] N#C[C@@H]1CN(CCO1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)[*:1]
CC(C)N1CCO[C@@H](C(=O)Cc2ccc(F)cc2F)C1 CC(C)[*:1] O=C(Cc1ccc(F)cc1F)[C@H]1CN(CCO1)[*:1]
Cc1cc(O)nc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 c1cncc(c1)[*:1] Cc1cc(O)nc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)NC1(c2nccs2)CCCC1 c1csc(n1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)NC1(CCCC1)[*:1]
CCc1ccc(NC(=O)c2ccc(C)nc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)c1ccc(C)nc1
CCc1ccc(NC(=O)c2ccc(C)nc2)cc1[N+](=O)[O-] Cc1ccc(cn1)[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)[*:1]
Cc1ccc(/C=C/C(=O)N2CCC(OCc3ccccc3F)CC2)o1 Fc1ccccc1[*:1] Cc1ccc(/C=C/C(=O)N2CCC(CC2)OC[*:1])o1
Cc1ccc(/C=C/C(=O)N2CCC(OCc3ccccc3F)CC2)o1 Fc1ccccc1C[*:1] Cc1ccc(/C=C/C(=O)N2CCC(CC2)O[*:1])o1
Cc1ccc(/C=C/C(=O)N2CCC(OCc3ccccc3F)CC2)o1 Cc1ccc(o1)[*:1] O=C(C=C[*:1])N1CCC(CC1)OCc1ccccc1F
Cc1ccc(/C=C/C(=O)N2CCC(OCc3ccccc3F)CC2)o1 Cc1ccc(C=C[*:1])o1 O=C(N1CCC(CC1)OCc1ccccc1F)[*:1]
Cc1cc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])NC(=O)Nc1ccc2NC(=O)Cc2c1
CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H](c2nc(C)cs2)C2CC2)C1(C)C Cc1csc(n1)[*:1] CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H](C2CC2)[*:1])C1(C)C
CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H](c2nc(C)cs2)C2CC2)C1(C)C C1CC1[*:1] CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H](c2nc(C)cs2)[*:1])C1(C)C
Cc1nn(C)c(C)c1NC(=O)Cn1nc2c3c(C)c(C)sc3nc(C(C)C)n2c1=O Cc1nn(C)c(C)c1[*:1] Cc1sc2nc(C(C)C)n3c(=O)n(CC(=O)N[*:1])nc3c2c1C
Cc1nn(C)c(C)c1NC(=O)Cn1nc2c3c(C)c(C)sc3nc(C(C)C)n2c1=O CC(C)[*:1] Cc1nn(C)c(C)c1NC(=O)Cn1nc2c3c(C)c(C)sc3nc(n2c1=O)[*:1]
CS(=O)(=O)c1ccc(C(=O)Nn2cnc3ccccc32)cc1 CS(=O)(=O)[*:1] O=C(Nn1cnc2ccccc21)c1ccc(cc1)[*:1]
Cn1ncnc1/N=C(\[O-])N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] Cn1ncnc1/N=C(\[O-])N1CCCC[C@@H]1c1nc(no1)[*:1]
O=S(=O)(c1ccccn1)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(nc1)[*:1] O=S(=O)(N1CCCC[C@@H]1CCc1ccccc1)[*:1]
O=S(=O)(c1ccccn1)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(c1ccccn1)N1CCCC[C@@H]1CC[*:1]
O=S(=O)(c1ccccn1)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=S(=O)(c1ccccn1)N1CCCC[C@@H]1C[*:1]
Cc1ccc(C)c(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1ccc(nn1)[*:1])N1CCN(CC1)c1ccccc1
Cc1ccc(C)c(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)-c1ccc(nn1)SCC(=O)N1CCN(CC1)[*:1]
Cc1cc(C(=O)NCCc2n[nH]c(-c3ccco3)n2)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)NCCc2n[nH]c(n2)-c2ccco2)c(C)n1[*:1]
Cc1cc(C(=O)NCCc2n[nH]c(-c3ccco3)n2)c(C)n1C(C)C c1coc(c1)[*:1] Cc1cc(C(=O)NCCc2n[nH]c(n2)[*:1])c(C)n1C(C)C
Cc1cc(Nc2ccccc2C(=O)[O-])nc(Nc2ccccc2C(=O)[O-])n1 O=C([O-])c1ccccc1[*:1] Cc1cc(nc(n1)N[*:1])Nc1ccccc1C(=O)[O-]
Cc1cc(Nc2ccccc2C(=O)[O-])nc(Nc2ccccc2C(=O)[O-])n1 O=C([O-])c1ccccc1[*:1] Cc1cc(nc(n1)Nc1ccccc1C(=O)[O-])N[*:1]
Cc1cc(Nc2ccccc2C(=O)[O-])nc(Nc2ccccc2C(=O)[O-])n1 O=C([O-])[*:1] Cc1cc(nc(n1)Nc1ccccc1[*:1])Nc1ccccc1C(=O)[O-]
Cc1cc(Nc2ccccc2C(=O)[O-])nc(Nc2ccccc2C(=O)[O-])n1 O=C([O-])[*:1] Cc1cc(nc(n1)Nc1ccccc1C(=O)[O-])Nc1ccccc1[*:1]
COc1cc(CNC(=O)[C@H](C[NH3+])CC(C)C)ccn1 CC(C)C[*:1] COc1cc(ccn1)CNC(=O)[C@H](C[NH3+])[*:1]
COc1cc(CNC(=O)[C@H](C[NH3+])CC(C)C)ccn1 CC(C)[*:1] COc1cc(ccn1)CNC(=O)[C@H](C[NH3+])C[*:1]
COC(=O)c1cc(NCC2CC[NH2+]CC2)c(F)cc1F COC(=O)[*:1] Fc1cc(F)c(cc1NCC1CC[NH2+]CC1)[*:1]
Cc1ccc(CC[NH2+][C@@H](C)c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)CC[NH2+][C@@H](C)[*:1]
CN1C(=O)c2ccccc2Sc2cc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)ccc21 c1coc(c1)[*:1] CN1C(=O)c2ccccc2Sc2cc(ccc21)NC(=O)c1cccc(c1)NC(=O)[*:1]
CN1C(=O)c2ccccc2Sc2cc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)ccc21 O=C(N[*:1])c1ccco1 CN1C(=O)c2ccccc2Sc2cc(ccc21)NC(=O)c1cccc(c1)[*:1]
FC(F)(F)[C@@H](Br)Cc1ccncc1 FC(F)(F)[*:1] Br[C@@H](Cc1ccncc1)[*:1]
Cc1nc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cs1 Cc1nc(cs1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Br)cc1)[*:1]
Cc1nc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cs1 Brc1ccc(cc1)[*:1] Cc1nc(cs1)[C@@H](C)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCN[C@H](C[NH+](C)C)c1ccoc1 CCN[*:1] C[NH+](C)C[C@H](c1ccoc1)[*:1]
COc1cccc(-n2cc(CN3C[C@@]4(CCOC4)CCC3=O)cn2)c1 COc1cccc(c1)[*:1] O=C1CC[C@]2(CCOC2)CN1Cc1cnn(c1)[*:1]
Cc1ccccc1NC(=O)c1nc2ccccc2nc1[O-] Cc1ccccc1[*:1] O=C(N[*:1])c1nc2ccccc2nc1[O-]
Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)C2=O)n1 Cn1ccc(n1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N[C@H]1CCCN(C1=O)[*:1]
CCOc1ccc([C@@H]([NH3+])c2cc(C)c(Br)s2)cc1 CCO[*:1] Cc1cc(sc1Br)[C@H]([NH3+])c1ccc(cc1)[*:1]
C[C@@H](CCCO)NC(=O)c1ccc(F)c(F)c1F C[C@@H](CCCO)[*:1] O=C(N[*:1])c1ccc(F)c(F)c1F
C[C@@H](CCCO)NC(=O)c1ccc(F)c(F)c1F OCCC[*:1] C[C@@H](NC(=O)c1ccc(F)c(F)c1F)[*:1]
C[C@@H](CCCO)NC(=O)c1ccc(F)c(F)c1F OCC[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(F)c(F)c1F
CC[C@@](C)([NH3+])C(=O)N(C)CCC[NH+](C)C CC[C@@](C)([NH3+])[*:1] CN(CCC[NH+](C)C)C(=O)[*:1]
CC[C@@](C)([NH3+])C(=O)N(C)CCC[NH+](C)C C[NH+](C)CC[*:1] CC[C@@](C)([NH3+])C(=O)N(C)C[*:1]
O=C(c1ccsc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1 C1CC1[*:1] O=C(c1ccsc1)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
O=C(c1ccsc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1 c1cc(cs1)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C1CC1)[*:1]
O=C(c1ccsc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)c[nH+]2)CC1 C1CC1c1nc(no1)[*:1] O=C(c1ccsc1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(CCOC)c(=O)c32)c2ccccc21 COC[*:1] CCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(C[*:1])c(=O)c32)c2ccccc21
CCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(CCOC)c(=O)c32)c2ccccc21 COC(=O)[*:1] CCN1C(=O)[C@@]2(C(=C(N)Oc3cc(C)n(CCOC)c(=O)c32)[*:1])c2ccccc21
CCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(CCOC)c(=O)c32)c2ccccc21 COCC[*:1] CCN1C(=O)[C@@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(c(=O)c32)[*:1])c2ccccc21
COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 COC(=O)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCC1)[*:1]
CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(-n4ccnc4)nc3)n2)cc1 CC(C)(C)[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)[*:1])c1ccc(nc1)-n1ccnc1
CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(-n4ccnc4)nc3)n2)cc1 c1cn(cn1)[*:1] CC(C)(C)c1ccc(cc1)-c1csc(n1)NC(=O)c1ccc(nc1)[*:1]
Cn1ncc2c1CC(C)(C)C[C@@H]2NC(=O)c1cnccn1 c1cnc(cn1)[*:1] Cn1ncc2c1CC(C)(C)C[C@@H]2NC(=O)[*:1]
Cc1ccc(/C=C2/C[NH+](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 Cc1ccc(cc1)[*:1] C[NH+]1CC(=C[*:1])c2nc3ccccc3c(C(=O)[O-])c2C1
Cc1ccc(/C=C2/C[NH+](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(/C=C2/C[NH+](C)Cc3c2nc2ccccc2c3[*:1])cc1
Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1cc(=O)c2ccccc2o1
O=C1CN(Cc2cc(-c3ccccc3)[nH]n2)[C@H]2CCCC[C@@H]2N1 c1ccc(cc1)[*:1] O=C1CN(Cc2cc([nH]n2)[*:1])[C@H]2CCCC[C@@H]2N1
CC(C)=C[C@@H]([NH3+])[C@@H]1Cc2ccccc21 CC(C)=C[*:1] [NH3+][C@@H]([C@@H]1Cc2ccccc21)[*:1]
NC(=O)[C@@H]1CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)C1 NC(=O)[*:1] O=C(c1ccc(cc1)Sc1ccc(Cl)cc1)N1CC[C@H](C1)[*:1]
NC(=O)[C@@H]1CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)C1 Clc1ccc(cc1)S[*:1] NC(=O)[C@@H]1CCN(C1)C(=O)c1ccc(cc1)[*:1]
NC(=O)[C@@H]1CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)C1 Clc1ccc(cc1)[*:1] NC(=O)[C@@H]1CCN(C1)C(=O)c1ccc(cc1)S[*:1]
COC(=O)C[C@H](NC(=O)Nc1cn[nH]c1)C1CC1 c1n[nH]cc1[*:1] COC(=O)C[C@H](NC(=O)N[*:1])C1CC1
COC(=O)C[C@H](NC(=O)Nc1cn[nH]c1)C1CC1 C1CC1[*:1] COC(=O)C[C@H](NC(=O)Nc1cn[nH]c1)[*:1]
COC(=O)C[C@H](NC(=O)Nc1cn[nH]c1)C1CC1 COC(=O)[*:1] O=C(Nc1cn[nH]c1)N[C@@H](C[*:1])C1CC1
COC(=O)C[C@H](NC(=O)Nc1cn[nH]c1)C1CC1 COC(=O)C[*:1] O=C(Nc1cn[nH]c1)N[C@H](C1CC1)[*:1]
N#Cc1ccc(CN2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 N#Cc1ccc(cc1)C[*:1] O=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCN(CC1)[*:1]
N#Cc1ccc(CN2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCN(CC1)C[*:1]
N#Cc1ccc(CN2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 Fc1ccc(cc1Cl)[*:1] N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)CCNS(=O)(=O)[*:1]
COC[C@@H](C)NC(=O)NCc1nc2ccccc2n1C COC[C@@H](C)[*:1] Cn1c(CNC(=O)N[*:1])nc2ccccc21
COC[C@@H](C)NC(=O)NCc1nc2ccccc2n1C COC[*:1] C[C@@H](NC(=O)NCc1nc2ccccc2n1C)[*:1]
CSc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)cn1 Clc1cccc(c1)[*:1] CSc1ccc(cn1)NC(=O)C(=O)NC[*:1]
O=C(NCCc1nnc2n1CCCCC2)Nc1ccccc1COc1ccccc1 c1ccc(cc1)O[*:1] O=C(NCCc1nnc2CCCCCn21)Nc1ccccc1C[*:1]
O=C(NCCc1nnc2n1CCCCC2)Nc1ccccc1COc1ccccc1 C1CCc2nnc(n2CC1)[*:1] O=C(NCC[*:1])Nc1ccccc1COc1ccccc1
O=C(NCCc1nnc2n1CCCCC2)Nc1ccccc1COc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1nnc2CCCCCn21)Nc1ccccc1CO[*:1]
O=C(NCCc1nnc2n1CCCCC2)Nc1ccccc1COc1ccccc1 c1ccc(cc1)OC[*:1] O=C(NCCc1nnc2CCCCCn21)Nc1ccccc1[*:1]
CCc1ccc(S(=O)(=O)c2nnn(-c3ccc(C(=O)[O-])cc3)c2C)cc1 CCc1ccc(cc1)[*:1] Cc1c(nnn1-c1ccc(cc1)C(=O)[O-])S(=O)(=O)[*:1]
CCc1ccc(S(=O)(=O)c2nnn(-c3ccc(C(=O)[O-])cc3)c2C)cc1 O=C([O-])[*:1] CCc1ccc(cc1)S(=O)(=O)c1nnn(-c2ccc(cc2)[*:1])c1C
C[C@@H]1CCN(C(=O)Nc2cccnc2-n2cncn2)[C@H](C)C1 c1ncn(n1)[*:1] C[C@@H]1CCN(C(=O)Nc2cccnc2[*:1])[C@H](C)C1
O=Cc1ccc(OCCc2ccsc2)cn1 c1cc(cs1)[*:1] O=Cc1ccc(cn1)OCC[*:1]
COC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 COC(=O)N[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(C)(C)[*:1]
CN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc2c(c1)COC2 Brc1ccccc1C[*:1] CN(C(=O)C(=O)Nc1ccc2COCc2c1)[*:1]
CN(Cc1ccccc1Br)C(=O)C(=O)Nc1ccc2c(c1)COC2 Brc1ccccc1[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2COCc2c1
N#Cc1csc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 N#Cc1csc(c1)[*:1] O=C(Nc1cccc(Cl)c1N1CCOCC1)[*:1]
N#Cc1csc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 C1CN(CCO1)[*:1] N#Cc1csc(c1)C(=O)Nc1cccc(Cl)c1[*:1]
O=C(CN1C(=O)CCC1=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 O=C1CCC(=O)N1C[*:1] O=C(NC[C@@H](O)c1ccc(cc1)C(F)(F)F)[*:1]
O=C(CN1C(=O)CCC1=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CN1C(=O)CCC1=O)NC[C@@H](O)c1ccc(cc1)[*:1]
O=C(CN1C(=O)CCC1=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 O=C1CCC(=O)N1[*:1] O=C(C[*:1])NC[C@@H](O)c1ccc(cc1)C(F)(F)F
CC(=O)c1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)N[*:1]
CC(=O)c1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 CC(=O)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
Cc1cc(C)n(-c2ccc(NCCOC[C@@H]3CCCO3)nc2)n1 C1CO[C@@H](C1)[*:1] Cc1cc(C)n(n1)-c1ccc(nc1)NCCOC[*:1]
Cc1cc(C)n(-c2ccc(NCCOC[C@@H]3CCCO3)nc2)n1 Cc1cc(C)n(n1)[*:1] c1cc(ncc1[*:1])NCCOC[C@@H]1CCCO1
Cc1cc(C)n(-c2ccc(NCCOC[C@@H]3CCCO3)nc2)n1 C1CO[C@@H](C1)CO[*:1] Cc1cc(C)n(n1)-c1ccc(nc1)NCC[*:1]
Cc1cc(C)n(-c2ccc(NCCOC[C@@H]3CCCO3)nc2)n1 C1CO[C@@H](C1)C[*:1] Cc1cc(C)n(n1)-c1ccc(nc1)NCCO[*:1]
CNC(=O)c1cc(Cl)ccc1NC(=O)c1ccoc1C CNC(=O)[*:1] Cc1occc1C(=O)Nc1ccc(Cl)cc1[*:1]
CNC(=O)c1cc(Cl)ccc1NC(=O)c1ccoc1C Cc1occc1[*:1] CNC(=O)c1cc(Cl)ccc1NC(=O)[*:1]
Cc1nc(CC(C)C)c(NC(=O)NCc2ccccn2)s1 CC(C)C[*:1] Cc1nc(c(NC(=O)NCc2ccccn2)s1)[*:1]
Cc1nc(CC(C)C)c(NC(=O)NCc2ccccn2)s1 c1ccc(C[*:1])nc1 Cc1nc(CC(C)C)c(NC(=O)N[*:1])s1
Cc1nc(CC(C)C)c(NC(=O)NCc2ccccn2)s1 c1ccc(nc1)[*:1] Cc1nc(CC(C)C)c(NC(=O)NC[*:1])s1
Cc1nc(CC(C)C)c(NC(=O)NCc2ccccn2)s1 CC(C)[*:1] Cc1nc(C[*:1])c(NC(=O)NCc2ccccn2)s1
CONC(=O)/C=C/c1cccc(-c2ccccc2)c1 c1ccc(cc1)[*:1] CONC(=O)/C=C/c1cccc(c1)[*:1]
CONC(=O)/C=C/c1cccc(-c2ccccc2)c1 CONC(=O)[*:1] C(=C[*:1])c1cccc(c1)-c1ccccc1
CCn1cnnc1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 C1CCN(C1)[*:1] CCn1cnnc1CNC(=O)NCc1cc[nH+]c(c1)[*:1]
CCn1cnnc1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 CCn1cnnc1[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)NC[*:1]
CCn1cnnc1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 CCn1cnnc1C[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)N[*:1]
COc1ccc(C[NH+](C)Cc2nc(-c3ccc(C)s3)oc2C)cc1OC Cc1ccc(s1)[*:1] COc1ccc(cc1OC)C[NH+](C)Cc1nc(oc1C)[*:1]
O=[S@@](CCN1CCCN(Cc2cccs2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=[S@@](CCN1CCCN(CC1)Cc1cccs1)[*:1]
O=[S@@](CCN1CCCN(Cc2cccs2)CC1)c1ccccc1 c1csc(c1)[*:1] O=[S@@](CCN1CCCN(CC1)C[*:1])c1ccccc1
O=[S@@](CCN1CCCN(Cc2cccs2)CC1)c1ccccc1 c1csc(c1)C[*:1] O=[S@@](CCN1CCCN(CC1)[*:1])c1ccccc1
CN(Cc1c(F)cccc1Cl)C(=O)CCc1nc2ccccc2s1 Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)CCc1nc2ccccc2s1
COC[C@H](NC(=O)NCC(C)(C)O)c1ccc(F)c(F)c1 CC(C)(O)[*:1] COC[C@H](NC(=O)NC[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)NCC(C)(C)O)c1ccc(F)c(F)c1 COC[*:1] CC(C)(O)CNC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
COC[C@H](NC(=O)NCC(C)(C)O)c1ccc(F)c(F)c1 CC(C)(O)C[*:1] COC[C@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
COc1ccccc1CS(=O)(=O)Cc1ncoc1C(C)C CC(C)[*:1] COc1ccccc1CS(=O)(=O)Cc1ncoc1[*:1]
Cc1cnccc1CCNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] Cc1cnccc1CCNC(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
Cc1cnccc1CCNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 Cc1cnccc1[*:1] O=C(NCC[*:1])Nc1ccc2[nH]c(nc2c1)C(F)F
Cc1cnccc1CCNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 Cc1cnccc1C[*:1] O=C(NC[*:1])Nc1ccc2[nH]c(nc2c1)C(F)F
C[NH+](C)CCCNc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] C[NH+](C)CCCNc1ncc(cc1Cl)[*:1]
COC(=O)NCCOC(=O)Cc1cn(C)c2ccccc12 COC(=O)NCC[*:1] Cn1cc(CC(=O)O[*:1])c2ccccc21
COC(=O)NCCOC(=O)Cc1cn(C)c2ccccc12 COC(=O)NC[*:1] Cn1cc(CC(=O)OC[*:1])c2ccccc21
COC(=O)NCCOC(=O)Cc1cn(C)c2ccccc12 COC(=O)N[*:1] Cn1cc(CC(=O)OCC[*:1])c2ccccc21
C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cccc(C#N)c1)OCCO3 N#Cc1cccc(c1)[*:1] C[C@H]1c2cc3OCCOc3cc2C2(CCCC2)CN1C(=O)[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc2cc(F)ccc2oc1=O CCC[*:1] C[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3oc2=O)[C@H]1[*:1]
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(F)cc2)NC(=S)N1 CCC[*:1] CCOC(=O)C1=C(NC(=S)N[C@@H]1c1ccc(F)cc1)[*:1]
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(F)cc2)NC(=S)N1 CCOC(=O)[*:1] CCCC1NC(=S)N[C@@H](C=1[*:1])c1ccc(F)cc1
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(F)cc2)NC(=S)N1 Fc1ccc(cc1)[*:1] CCCC1NC(=S)N[C@H](C=1C(=O)OCC)[*:1]
COc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)n(CC(C)=O)c(=O)n(C)c3nc12 CC(=O)C[*:1] COc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
COc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)n(CC(C)=O)c(=O)n(C)c3nc12 CC(=O)[*:1] COc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
COc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)n(CC(C)=O)c(=O)n(C)c3nc12 COc1ccc(Cl)cc1[*:1] CC(=O)Cn1c(=O)c2c(nc3n(c(C)c(C)n23)[*:1])n(C)c1=O
Cc1cccc(OC[C@@H](O)CN2CCN(Cc3[nH+]ccn3C)CC2)c1 Cc1cccc(c1)[*:1] Cn1cc[nH+]c1CN1CCN(CC1)C[C@H](O)CO[*:1]
Cc1cccc(OC[C@@H](O)CN2CCN(Cc3[nH+]ccn3C)CC2)c1 Cc1cccc(c1)O[*:1] Cn1cc[nH+]c1CN1CCN(CC1)C[C@H](O)C[*:1]
CS[C@@H]1CC[C@H](NC(=O)c2ccn(-c3ccc(F)cc3)n2)C1 Fc1ccc(cc1)[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)c1ccn(n1)[*:1]
C=CCN(CC=C)C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 Fc1cccc(c1)[*:1] C=CCN(CC=C)C(=O)N[C@H](C)c1nc(no1)[*:1]
C=CCN(CC=C)C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 C=CC[*:1] C=CCN(C(=O)N[C@H](C)c1nc(no1)-c1cccc(F)c1)[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](NC(=O)C(C)C)C1 CC(C)[*:1] Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](C1)NC(=O)[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](NC(=O)C(C)C)C1 Cc1cc(F)ccc1[*:1] CC(C)C(=O)N[C@H]1CCCN(C1)C(=O)C(=O)N[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](NC(=O)C(C)C)C1 CC(C)C(=O)N[*:1] Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(C)cc(C)cc1C O=C([O-])C[*:1] C#CCN(S(=O)(=O)c1c(C)cc(C)cc1C)[*:1]
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(C)cc(C)cc1C C#CC[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(C)cc(C)cc1C O=C([O-])[*:1] C#CCN(C[*:1])S(=O)(=O)c1c(C)cc(C)cc1C
CCOc1ccccc1Oc1ccccc1[C@@H](C)[NH2+]C CCO[*:1] C[NH2+][C@H](C)c1ccccc1Oc1ccccc1[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccn(C[*:1])n1
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccn(n1)[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccn(Cc2ccccc2)n1 Clc1ccc(c(Cl)c1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccn(Cc2ccccc2)n1
CC(C)(C)C(=O)NCC(=O)Nc1ccccc1 CC(C)(C)[*:1] O=C(CNC(=O)[*:1])Nc1ccccc1
CCOc1ccc([C@H]2CCCN2C(=O)N[C@@H](CC)c2ccncc2)cc1 c1cc(ccn1)[*:1] CCOc1ccc(cc1)[C@H]1CCCN1C(=O)N[C@@H](CC)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)N[C@@H](CC)c2ccncc2)cc1 CCO[*:1] CC[C@H](NC(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1])c1ccncc1
CCC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)C[C@@H](C)CC2 CCC(=O)N[*:1] C[C@H]1CCc2nc(c3c(=O)oc4ccccc4c3c2C1)[*:1]
Cc1cccc2cc(CN(Cc3cccnc3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c12 Clc1cccc(c1)[*:1] Cc1cccc2cc(CN(Cc3cccnc3)C(=S)N[*:1])c(=O)[nH]c12
Cc1cccc2cc(CN(Cc3cccnc3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c12 c1cncc(c1)C[*:1] Cc1cccc2cc(CN(C(=S)Nc3cccc(Cl)c3)[*:1])c(=O)[nH]c12
Cc1cccc2cc(CN(Cc3cccnc3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c12 c1cncc(c1)[*:1] Cc1cccc2cc(CN(C[*:1])C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c12
CC[C@@H](COC)NC(=O)Cc1cccc(F)c1 COC[*:1] CC[C@@H](NC(=O)Cc1cccc(F)c1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)CSCc2cccc(F)c2F)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)CSCc2cccc(F)c2F)c(C)c1[*:1]
C[C@@H]1CN(CC(=O)NC2CCCCC2)c2ccccc2NC1=O C1CCC(CC1)[*:1] C[C@@H]1CN(CC(=O)N[*:1])c2ccccc2NC1=O
CCc1onc(C)c1NC(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 CO[C@H](C)[*:1] CCc1onc(C)c1NC(=O)Nc1cccc(c1)NC(=O)[*:1]
CCc1onc(C)c1NC(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 CCc1onc(C)c1[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)NC(=O)N[*:1]
CCc1onc(C)c1NC(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 CO[C@H](C)C(=O)N[*:1] CCc1onc(C)c1NC(=O)Nc1cccc(c1)[*:1]
COCCCNS(=O)(=O)c1sccc1Br COC[*:1] O=S(=O)(NCC[*:1])c1sccc1Br
COCCCNS(=O)(=O)c1sccc1Br COCCC[*:1] O=S(=O)(N[*:1])c1sccc1Br
COCCCNS(=O)(=O)c1sccc1Br COCC[*:1] O=S(=O)(NC[*:1])c1sccc1Br
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cn(-c2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cn(nc1-c1cccnc1)[*:1]
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cn(-c2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cn(nc1[*:1])-c1ccccc1
CCOC(=O)c1ccc(CSc2nnnn2-c2c(C)cccc2C)o1 CCOC(=O)[*:1] Cc1cccc(C)c1-n1nnnc1SCc1ccc(o1)[*:1]
CCOC(=O)c1ccc(CSc2nnnn2-c2c(C)cccc2C)o1 Cc1cccc(C)c1[*:1] CCOC(=O)c1ccc(CSc2nnnn2[*:1])o1
CCCC(=O)Nc1cccc(NC(=O)N(C)CC2CCCC2)c1C CCC[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)N(C)CC1CCCC1
CCCC(=O)Nc1cccc(NC(=O)N(C)CC2CCCC2)c1C C1CCC(C1)C[*:1] CCCC(=O)Nc1cccc(NC(=O)N(C)[*:1])c1C
CCCC(=O)Nc1cccc(NC(=O)N(C)CC2CCCC2)c1C C1CCC(C1)[*:1] CCCC(=O)Nc1cccc(NC(=O)N(C)C[*:1])c1C
CCCC(=O)Nc1cccc(NC(=O)N(C)CC2CCCC2)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)N(C)CC1CCCC1
Cc1ccc(NC(=O)CN(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)/C=C/c1ccccc1[N+](=O)[O-]
Cc1ccc(NC(=O)CN(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)/C=C/c1ccccc1[*:1]
CN1C(=O)COc2ccc(NC(=O)C(=O)NCCc3c[nH]c4ccccc34)cc21 c1ccc2c(c[nH]c2c1)[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)C(=O)NCC[*:1]
O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 c1ccc(cc1)[*:1] O=C([C@@H]1CC(=NO1)[*:1])N1CCC[C@H](C1)c1cc(=O)[nH]cn1
O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 O=c1cc(nc[nH]1)[*:1] O=C([C@@H]1CC(=NO1)c1ccccc1)N1CCC[C@@H](C1)[*:1]
C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccc(OC(F)(F)F)cc1 c1ncn(n1)[*:1] C[C@@H](NC(=O)[C@@H](C)[*:1])c1ccc(cc1)OC(F)(F)F
C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccc(cc1)O[*:1]
C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccc(OC(F)(F)F)cc1 C[C@@H](n1cncn1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)OC(F)(F)F
O=C(NC1CCCC1)c1cc2cn(C3CCCC3)cc2s1 C1CCC(C1)[*:1] O=C(NC1CCCC1)c1cc2cn(cc2s1)[*:1]
O=C(NC1CCCC1)c1cc2cn(C3CCCC3)cc2s1 C1CCC(C1)[*:1] O=C(N[*:1])c1cc2cn(cc2s1)C1CCCC1
COc1cccc(C[NH+](Cc2cn(C)nc2C)C2CCC(O)CC2)c1 COc1cccc(c1)[*:1] Cc1nn(C)cc1C[NH+](C[*:1])C1CCC(O)CC1
COc1cccc(C[NH+](Cc2cn(C)nc2C)C2CCC(O)CC2)c1 Cc1nn(C)cc1C[*:1] COc1cccc(c1)C[NH+](C1CCC(O)CC1)[*:1]
COc1cccc(C[NH+](Cc2cn(C)nc2C)C2CCC(O)CC2)c1 Cc1nn(C)cc1[*:1] COc1cccc(c1)C[NH+](C[*:1])C1CCC(O)CC1
CCS[C@@H]1CC[C@H](NC(=O)NCc2ncoc2C)C1 Cc1ocnc1[*:1] CCS[C@@H]1CC[C@@H](C1)NC(=O)NC[*:1]
CCS[C@@H]1CC[C@H](NC(=O)NCc2ncoc2C)C1 CCS[*:1] Cc1ocnc1CNC(=O)N[C@H]1CC[C@H](C1)[*:1]
O=C1CCCCC[C@@H]1[C@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1CCCCC[C@@H]1[C@]1(O)C(=O)N(C[*:1])c2ccccc21
O=C1CCCCC[C@@H]1[C@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 O=[N+]([O-])[*:1] O=C1CCCCC[C@@H]1[C@]1(O)C(=O)N(Cc2ccc(cc2)[*:1])c2ccccc21
COc1cc(F)c(NC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)cc1F CC(C)(C)[*:1] COc1cc(F)c(cc1F)NC(=O)C=C1CN(C1)C(=O)O[*:1]
CC(C)COCCNC(=O)c1csc(-c2ncccn2)n1 CC(C)C[*:1] O=C(NCCO[*:1])c1csc(n1)-c1ncccn1
CC(C)COCCNC(=O)c1csc(-c2ncccn2)n1 CC(C)COC[*:1] O=C(NC[*:1])c1csc(n1)-c1ncccn1
CC(C)COCCNC(=O)c1csc(-c2ncccn2)n1 CC(C)COCC[*:1] O=C(N[*:1])c1csc(n1)-c1ncccn1
CC(C)COCCNC(=O)c1csc(-c2ncccn2)n1 CC(C)[*:1] O=C(NCCOC[*:1])c1csc(n1)-c1ncccn1
CC(C)COCCNC(=O)c1csc(-c2ncccn2)n1 c1cnc(nc1)[*:1] CC(C)COCCNC(=O)c1csc(n1)[*:1]
CC(C)COCCNC(=O)c1csc(-c2ncccn2)n1 CC(C)CO[*:1] O=C(NCC[*:1])c1csc(n1)-c1ncccn1
Cn1nnnc1SCC(=O)N1CCCCCCC1 Cn1nnnc1[*:1] O=C(CS[*:1])N1CCCCCCC1
CCOC(=O)C1(C)CCN(C(=O)CCc2ccncc2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)CCc1ccncc1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)CCc2ccncc2)CC1 c1cc(ccn1)C[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)C[*:1]
CCOC(=O)C1(C)CCN(C(=O)CCc2ccncc2)CC1 c1cc(ccn1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)CC[*:1]
COc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(C(C)C)C3 COc1ccccc1[*:1] Cc1oc2c3CN(COc3ccc2c(=O)c1O[*:1])C(C)C
COc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(C(C)C)C3 COc1ccccc1O[*:1] Cc1oc2c3CN(COc3ccc2c(=O)c1[*:1])C(C)C
COc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(C(C)C)C3 CC(C)[*:1] COc1ccccc1Oc1c(C)oc2c3CN(COc3ccc2c1=O)[*:1]
Cc1cc(NCc2ccccc2OCc2ccccc2)n2ncnc2n1 c1ccc(cc1)[*:1] Cc1cc(NCc2ccccc2OC[*:1])n2ncnc2n1
Cc1cc(NCc2ccccc2OCc2ccccc2)n2ncnc2n1 c1ccc(cc1)CO[*:1] Cc1cc(NCc2ccccc2[*:1])n2ncnc2n1
Cc1cc(NCc2ccccc2OCc2ccccc2)n2ncnc2n1 c1ccc(cc1)C[*:1] Cc1cc(NCc2ccccc2O[*:1])n2ncnc2n1
O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[*:1])OCC(=O)c1ccc2OCCOc2c1
Cc1nc(CCNC(=O)CCSc2ccc(F)cc2)c(C)o1 Fc1ccc(cc1)[*:1] Cc1nc(CCNC(=O)CCS[*:1])c(C)o1
Cc1nc(CCNC(=O)CCSc2ccc(F)cc2)c(C)o1 Cc1nc(c(C)o1)[*:1] O=C(CCSc1ccc(F)cc1)NCC[*:1]
Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3cccc(Br)c3)c3ccccc32)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)CN1C(=O)[C@@](O)(CC(=O)[*:1])c2ccccc21
Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3cccc(Br)c3)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@]1(O)C(=O)N(C[*:1])c2ccccc21)c1cccc(Br)c1
Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3cccc(Br)c3)c3ccccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(C[C@]1(O)C(=O)N(c2ccccc21)[*:1])c1cccc(Br)c1
Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3cccc(Br)c3)c3ccccc32)cc1 O=C(c1cccc(Br)c1)[*:1] Cc1ccc(cc1)CN1C(=O)[C@@](O)(C[*:1])c2ccccc21
CN1CCO[C@@H](C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 N#Cc1ccc(cc1)[*:1] CN1CCO[C@H](C1)C(=O)Nc1cccc(c1)O[*:1]
COCCNc1oc2c(c1-c1ccc(C(=O)OC)cc1)c(=O)oc1ccc(F)cc12 COC(=O)c1ccc(cc1)[*:1] COCCNc1oc2c(c1[*:1])c(=O)oc1ccc(F)cc12
COCCNc1oc2c(c1-c1ccc(C(=O)OC)cc1)c(=O)oc1ccc(F)cc12 COC[*:1] COC(=O)c1ccc(cc1)-c1c(NC[*:1])oc2c1c(=O)oc1ccc(F)cc12
COCCNc1oc2c(c1-c1ccc(C(=O)OC)cc1)c(=O)oc1ccc(F)cc12 COCC[*:1] COC(=O)c1ccc(cc1)-c1c(N[*:1])oc2c1c(=O)oc1ccc(F)cc12
COCCNc1oc2c(c1-c1ccc(C(=O)OC)cc1)c(=O)oc1ccc(F)cc12 COCCN[*:1] COC(=O)c1ccc(cc1)-c1c(oc2c1c(=O)oc1ccc(F)cc12)[*:1]
COCCNc1oc2c(c1-c1ccc(C(=O)OC)cc1)c(=O)oc1ccc(F)cc12 COC(=O)[*:1] COCCNc1oc2c(c1-c1ccc(cc1)[*:1])c(=O)oc1ccc(F)cc12
COC(=O)[C@H](C)SCC(=O)N1CCCC[C@H]1C COC(=O)[*:1] C[C@H](SCC(=O)N1CCCC[C@H]1C)[*:1]
O=C(CSc1cccs1)Nc1ccc(F)cc1F c1csc(c1)[*:1] O=C(CS[*:1])Nc1ccc(F)cc1F
O=C(CSc1cccs1)Nc1ccc(F)cc1F c1csc(c1)S[*:1] O=C(C[*:1])Nc1ccc(F)cc1F
O=C(NCc1cn(-c2ccccc2)nn1)NC[C@@H]1CCC[C@H]1O c1ccc(cc1)[*:1] O=C(NCc1cn(nn1)[*:1])NC[C@@H]1CCC[C@H]1O
CCN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 c1coc(c1)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc2OCC(=O)Nc2c1
CCN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 c1coc(c1)C[*:1] CCN(S(=O)(=O)c1ccc2OCC(=O)Nc2c1)[*:1]
N#CCn1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)n1 N#CC[*:1] O=C(Nc1ccn(n1)[*:1])c1cc(Cl)cc(Cl)c1
CC(=O)Nc1cccc(NCC(=O)Nc2ccc(C)c(Cl)c2)c1 CC(=O)N[*:1] Cc1ccc(cc1Cl)NC(=O)CNc1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@](CC2CCC2)(C(=O)[O-])C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@](CC2CCC2)(C1)C(=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@@](CC2CCC2)(C(=O)[O-])C1 C1CC(C1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@](C1)(C[*:1])C(=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@@](CC2CCC2)(C(=O)[O-])C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCC[C@@](CC2CCC2)(C1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@](CC2CCC2)(C(=O)[O-])C1 C1CC(C1)C[*:1] CC(C)(C)OC(=O)N1CCC[C@](C1)(C(=O)[O-])[*:1]
COc1ccc([C@@H]2N=[NH+]C(=S)N2/N=C/c2ccco2)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)[C@@H]1N=[NH+]C(=S)N1N=C[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 FC(F)(F)[*:1] C[C@@H](NS(C)(=O)=O)C(=O)NCC1(CCCC1)c1cccc(c1)[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 CS(=O)(=O)N[*:1] C[C@@H](C(=O)NCC1(CCCC1)c1cccc(c1)C(F)(F)F)[*:1]
O=C(NC[C@H]1CCCN(c2ncccn2)C1)N1CCOC2(CCCC2)C1 c1cnc(nc1)[*:1] O=C(NC[C@H]1CCCN(C1)[*:1])N1CCOC2(CCCC2)C1
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CSCc1c(C)noc1C Cc1noc(C)c1C[*:1] Cc1ccc(c(C)c1NC(=O)CS[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CSCc1c(C)noc1C Cc1noc(C)c1[*:1] Cc1ccc(c(C)c1NC(=O)CSC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CSCc1c(C)noc1C O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)CSCc1c(C)noc1C)[*:1]
C[C@H]1SCCC[C@@]1(C(=O)[O-])[NH+]1CCCC1 O=C([O-])[*:1] C[C@H]1SCCC[C@]1([NH+]1CCCC1)[*:1]
O=C(CCSc1ccc(F)cc1)NNC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(CCSc1ccc(F)cc1)NNC(=O)[*:1]
O=C(CCSc1ccc(F)cc1)NNC(=O)c1ccc(Br)o1 Fc1ccc(cc1)[*:1] O=C(CCS[*:1])NNC(=O)c1ccc(Br)o1
C[C@@H]([NH3+])c1cc(F)ccc1SC[C@@H](O)CO OC[C@H](O)[*:1] C[C@@H]([NH3+])c1cc(F)ccc1SC[*:1]
C[C@@H]([NH3+])c1cc(F)ccc1SC[C@@H](O)CO OC[C@H](O)C[*:1] C[C@@H]([NH3+])c1cc(F)ccc1S[*:1]
Cc1ccc(-c2ccccc2C[C@@H]2CN(S(C)(=O)=O)CCNC2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] CS(=O)(=O)N1CCNC(=O)[C@H](Cc2ccccc2[*:1])C1
COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(c2ncccn2)CC1 COc1ccc(Cl)cc1[*:1] O=C(NCC1CCN(CC1)c1ncccn1)C(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(CC1)[*:1]
C[C@@H](CNC(=O)C(=O)Nc1ccnn1C)c1nc(-c2ccccc2)no1 Cn1nccc1[*:1] C[C@@H](CNC(=O)C(=O)N[*:1])c1nc(no1)-c1ccccc1
C[C@@H](CNC(=O)C(=O)Nc1ccnn1C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)C(=O)Nc1ccnn1C)c1nc(no1)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)CC1 C1CC1[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc(cc1)-n1cnc(c1)NC(=O)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)CC1 O=C(N[*:1])C1CC1 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc(cc1)-n1cnc(c1)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)CC1 Cc1ccc(Cl)cc1[*:1] O=C(Nc1cn(cn1)-c1ccc(cc1)C(=O)N1CCN(CC1)[*:1])C1CC1
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)CC1 O=C(Nc1cn(cn1)[*:1])C1CC1 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COC(=O)Cc1csc(NC(=O)N(C)[C@@H](C)c2ccccc2Cl)n1 COC(=O)[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1nc(cs1)C[*:1]
COC(=O)Cc1csc(NC(=O)N(C)[C@@H](C)c2ccccc2Cl)n1 COC(=O)C[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1nc(cs1)[*:1]
COC(=O)Cc1csc(NC(=O)N(C)[C@@H](C)c2ccccc2Cl)n1 Clc1ccccc1[*:1] COC(=O)Cc1csc(n1)NC(=O)N(C)[C@@H](C)[*:1]
CSc1cc(C(=O)O[C@@H](C)C(=O)Nc2c(F)cccc2F)ccc1N Fc1cccc(F)c1[*:1] CSc1cc(ccc1N)C(=O)O[C@@H](C)C(=O)N[*:1]
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1ccc2c(c1)CCC2 O=[N+]([O-])[*:1] CN(Cc1cc(ccc1Cl)[*:1])C(=O)Cc1ccc2CCCc2c1
C[C@](O)(CNC(=O)c1cccc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNC(=O)c1cccc2ccccc12)[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](NC(=O)[*:1])c1ccccc1
Cc1c(Cl)cccc1NC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 Cc1c(Cl)cccc1[*:1] O=C(N[C@@H](C(=O)N[*:1])c1ccccc1)c1ccccc1
Cc1c(Cl)cccc1NC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)[C@H](NC(=O)c1ccccc1)[*:1]
Cc1c(Cl)cccc1NC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 O=C(N[*:1])c1ccccc1 Cc1c(Cl)cccc1NC(=O)[C@H](c1ccccc1)[*:1]
O[C@H](Cc1ccccc1F)[C@H]1CCOC2(CCOCC2)C1 Fc1ccccc1[*:1] O[C@H](C[*:1])[C@H]1CCOC2(CCOCC2)C1
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CCCc1c[nH]c2ccccc12 CS(=O)(=O)[*:1] C[C@@H]([C@H](C)[*:1])N(C)C(=O)CCCc1c[nH]c2ccccc12
C[C@H]1CCC[C@H](NC(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)C1 NC(=O)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)c1cc(nc2c(ncn12)[*:1])-c1ccco1
C[C@H]1CCC[C@H](NC(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)C1 c1coc(c1)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)c1cc(nc2c(ncn12)C(N)=O)[*:1]
N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(Cc2ccccn2)C1
N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 c1ccc(C[*:1])nc1 N#Cc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 c1ccc(nc1)[*:1] N#Cc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
C=CCOC[C@@H](O)Cn1cnc2c(N)ncnc21 C=CCOC[*:1] Nc1ncnc2c1ncn2C[C@H](O)[*:1]
C=CCOC[C@@H](O)Cn1cnc2c(N)ncnc21 C=CC[*:1] Nc1ncnc2c1ncn2C[C@H](O)CO[*:1]
C=CCOC[C@@H](O)Cn1cnc2c(N)ncnc21 C=CCO[*:1] Nc1ncnc2c1ncn2C[C@H](O)C[*:1]
O=C(CC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOCC1 Fc1ccc(cc1)[*:1] O=C(CC[NH2+]C(c1ccc(F)cc1)[*:1])N1CCOCC1
O=C(CC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] Fc1ccc(cc1)C([NH2+]CC[*:1])c1ccc(F)cc1
CCOC(=O)CN(C)c1c(C)c(C)nc2ncnn12 CCOC(=O)[*:1] Cc1nc2ncnn2c(c1C)N(C)C[*:1]
CCOC(=O)CN(C)c1c(C)c(C)nc2ncnn12 CCOC(=O)C[*:1] Cc1nc2ncnn2c(c1C)N(C)[*:1]
COc1ccc(-c2ncc(C(=O)N3CC[C@@H](C(N)=O)C3)s2)cc1 NC(=O)[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)N1CC[C@@H](C1)[*:1]
Cc1ccc(C2(c3noc(C[NH+]4CCC(OCc5cccnc5)CC4)n3)CCCC2)cc1 Cc1ccc(cc1)[*:1] c1cncc(c1)COC1CC[NH+](CC1)Cc1nc(no1)C1(CCCC1)[*:1]
Cc1ccc(C2(c3noc(C[NH+]4CCC(OCc5cccnc5)CC4)n3)CCCC2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)C1(CCCC1)c1noc(C[NH+]2CCC(CC2)OC[*:1])n1
Cc1ccc(C2(c3noc(C[NH+]4CCC(OCc5cccnc5)CC4)n3)CCCC2)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)C1(CCCC1)c1noc(C[NH+]2CCC(CC2)O[*:1])n1
Cc1ccc(C2(c3noc(C[NH+]4CCC(OCc5cccnc5)CC4)n3)CCCC2)cc1 c1cncc(c1)CO[*:1] Cc1ccc(cc1)C1(CCCC1)c1noc(C[NH+]2CCC(CC2)[*:1])n1
O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 Clc1ccccc1C[*:1] O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)Cc1ccccc1Cl
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(F)(F)F FC(F)(F)[*:1] CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(F)(F)F c1ccc(cc1)[*:1] CC[C@@H](C)[C@H](NC(=O)[*:1])C(=O)NCC(F)(F)F
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(F)(F)F CC[C@@H](C)[*:1] O=C(N[C@H](C(=O)NCC(F)(F)F)[*:1])c1ccccc1
CCc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] CCc1ccc(cc1)OCC(=O)Nc1ccc(cc1)[*:1]
O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc21 FC(F)(F)O[*:1] O=C1C[C@@H](Cc2[nH]c(=O)c(cc21)C(=O)Nc1ccc(cc1)[*:1])c1ccco1
O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc21 c1coc(c1)[*:1] O=C1C[C@H](Cc2[nH]c(=O)c(cc21)C(=O)Nc1ccc(cc1)OC(F)(F)F)[*:1]
O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc21 FC(F)(F)[*:1] O=C1C[C@@H](Cc2[nH]c(=O)c(cc21)C(=O)Nc1ccc(cc1)O[*:1])c1ccco1
COc1cccc(C(=O)Nc2ccc3nc(N(C)C)oc3c2)c1F CN(C)[*:1] COc1cccc(C(=O)Nc2ccc3nc(oc3c2)[*:1])c1F
CN(CC(F)(F)F)c1[nH]c2ccc(N)cc2[nH+]1 FC(F)(F)[*:1] CN(C[*:1])c1[nH]c2ccc(N)cc2[nH+]1
CN(CC(F)(F)F)c1[nH]c2ccc(N)cc2[nH+]1 FC(F)(F)C[*:1] CN(c1[nH]c2ccc(N)cc2[nH+]1)[*:1]
Cc1ccc(OC[C@@H](O)CNc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OC[C@@H](O)CN[*:1]
CC(C)C[C@H](C(=O)[O-])[C@@H]1CCO[C@]2(CCOC2)C1 O=C([O-])[*:1] CC(C)C[C@H]([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
CC(C)C[C@H](C(=O)[O-])[C@@H]1CCO[C@]2(CCOC2)C1 CC(C)C[*:1] O=C([O-])[C@H]([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
CC(C)C[C@H](C(=O)[O-])[C@@H]1CCO[C@]2(CCOC2)C1 CC(C)[*:1] O=C([O-])[C@@H](C[*:1])[C@@H]1CCO[C@]2(CCOC2)C1
C/C=C/C[S@@](=O)[C@H](C)C(=O)Nc1c(C)cccc1C C/C=C/C[*:1] Cc1cccc(C)c1NC(=O)[C@@H](C)[S@](=O)[*:1]
C/C=C/C[S@@](=O)[C@H](C)C(=O)Nc1c(C)cccc1C CC=C[*:1] Cc1cccc(C)c1NC(=O)[C@@H](C)[S@](=O)C[*:1]
C=CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCOC(=O)/C(C#N)=C/c1cn(nc1[*:1])-c1ccccc1
C=CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 C=CCOC(=O)[*:1] N#CC(=Cc1cn(nc1-c1ccc(F)cc1)-c1ccccc1)[*:1]
C=CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 C=CC[*:1] N#C/C(=C\c1cn(nc1-c1ccc(F)cc1)-c1ccccc1)C(=O)O[*:1]
C=CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 c1ccc(cc1)[*:1] C=CCOC(=O)/C(C#N)=C/c1cn(nc1-c1ccc(F)cc1)[*:1]
CCc1nn(C)cc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C CCc1nn(C)cc1[*:1] Cc1c(cccc1C(=O)N1CCOCC1)NC(=O)[*:1]
CCc1nn(C)cc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C O=C(N1CCOCC1)[*:1] CCc1nn(C)cc1C(=O)Nc1cccc(c1C)[*:1]
C[C@@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)C1CC1 C[C@@H](C1CC1)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[NH2+][*:1]
C[C@@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)C1CC1 CS(=O)(=O)[*:1] C[C@@H]([NH2+][C@@H]1CCC[C@H](C1)[*:1])C1CC1
C[C@@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)C1CC1 C1CC1[*:1] C[C@@H]([NH2+][C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
O=C(NCc1ccnc(OCC(F)(F)F)c1)NOC1CCCC1 FC(F)(F)CO[*:1] O=C(NCc1ccnc(c1)[*:1])NOC1CCCC1
O=C(NCc1ccnc(OCC(F)(F)F)c1)NOC1CCCC1 FC(F)(F)C[*:1] O=C(NCc1ccnc(c1)O[*:1])NOC1CCCC1
O=C(NCc1ccnc(OCC(F)(F)F)c1)NOC1CCCC1 FC(F)(F)[*:1] O=C(NCc1ccnc(c1)OC[*:1])NOC1CCCC1
O=C(NCc1ccnc(OCC(F)(F)F)c1)NOC1CCCC1 C1CCC(C1)[*:1] O=C(NCc1ccnc(c1)OCC(F)(F)F)NO[*:1]
CCc1cnc(CCNC(=O)Nc2cc(OC)ccc2F)s1 CCc1cnc(s1)[*:1] COc1ccc(F)c(c1)NC(=O)NCC[*:1]
COc1ccc(C)cc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O O=[N+]([O-])[*:1] COc1ccc(C)cc1NC(=O)Cn1cnc2ccc(cc2c1=O)[*:1]
COc1ccc(C)cc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O COc1ccc(C)cc1[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])N[*:1]
O=C(Oc1ccc2nccnc2c1)c1ccccc1-n1cccn1 c1cnn(c1)[*:1] O=C(Oc1ccc2nccnc2c1)c1ccccc1[*:1]
O=C(NCc1nc2ccccc2[nH]1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NCc1nc2ccccc2[nH]1)[*:1]
CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)c1ccc(C)c(F)c1 COC[*:1] CC[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)C[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)[*:1]
CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCOC)C1)c1ccc(C)c(F)c1 COCC[*:1] CC[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccc(C)c(F)c1
CCOC[C@H]1CCCN(C(=O)CC2(O)CCCC2)C1 CCOC[*:1] O=C(CC1(O)CCCC1)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)CC2(O)CCCC2)C1 OC1(CCCC1)[*:1] CCOC[C@H]1CCCN(C1)C(=O)C[*:1]
CCOC[C@H]1CCCN(C(=O)CC2(O)CCCC2)C1 CCO[*:1] O=C(CC1(O)CCCC1)N1CCC[C@@H](C1)C[*:1]
C#CCN(CC#C)Cc1cc(=O)n2cccc(C)c2[nH+]1 C#CC[*:1] C#CCN(Cc1cc(=O)n2cccc(C)c2[nH+]1)[*:1]
CC[C@@H]([NH2+]Cc1cnn(C)c1C)c1cc(C)ccc1OC Cc1c(cnn1C)[*:1] CC[C@@H]([NH2+]C[*:1])c1cc(C)ccc1OC
Fc1cccc(CN2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1F c1cncc(c1)[*:1] Fc1cccc(CN2CCC[C@H](C2)c2nnc(o2)[*:1])c1F
Fc1cccc(CN2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1F Fc1cccc(c1F)[*:1] c1cncc(c1)-c1nnc(o1)[C@@H]1CCCN(C1)C[*:1]
O=C(c1cn(CCN2CCOCC2)nn1)N1CCC[C@H](c2nc3ccccc3o2)C1 C1CN(CCO1)CC[*:1] O=C(c1cn(nn1)[*:1])N1CCC[C@@H](C1)c1nc2ccccc2o1
O=C(c1cn(CCN2CCOCC2)nn1)N1CCC[C@H](c2nc3ccccc3o2)C1 C1CN(CCO1)[*:1] O=C(c1cn(CC[*:1])nn1)N1CCC[C@@H](C1)c1nc2ccccc2o1
O=C(c1cn(CCN2CCOCC2)nn1)N1CCC[C@H](c2nc3ccccc3o2)C1 C1CN(CCO1)C[*:1] O=C(c1cn(C[*:1])nn1)N1CCC[C@@H](C1)c1nc2ccccc2o1
O=C(c1cn(CCN2CCOCC2)nn1)N1CCC[C@H](c2nc3ccccc3o2)C1 c1ccc2oc(nc2c1)[*:1] O=C(c1cn(CCN2CCOCC2)nn1)N1CCC[C@H](C1)[*:1]
COC[C@H](C)CC(=O)NC(C)(C)C(N)=S COC[C@H](C)[*:1] CC(C)(NC(=O)C[*:1])C(N)=S
COC[C@H](C)CC(=O)NC(C)(C)C(N)=S NC(=S)[*:1] COC[C@H](C)CC(=O)NC(C)(C)[*:1]
COC[C@H](C)CC(=O)NC(C)(C)C(N)=S COC[*:1] C[C@H](CC(=O)NC(C)(C)C(N)=S)[*:1]
CCOC(=O)c1nc(CC)oc1NC(=O)[C@H](C)c1cc2ccccc2o1 CCOC(=O)[*:1] CCc1nc(c(NC(=O)[C@H](C)c2cc3ccccc3o2)o1)[*:1]
Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ncn(C)n2)c1 Cn1cnc(n1)[*:1] Cc1cccc(c1)-c1nn(cc1C(=O)NC[*:1])-c1ccccc1
Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ncn(C)n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1nn(cc1C(=O)NCc1ncn(C)n1)[*:1]
Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ncn(C)n2)c1 Cc1cccc(c1)[*:1] Cn1cnc(CNC(=O)c2cn(nc2[*:1])-c2ccccc2)n1
Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ncn(C)n2)c1 Cn1cnc(C[*:1])n1 Cc1cccc(c1)-c1nn(cc1C(=O)N[*:1])-c1ccccc1
CCc1ccsc1C(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 CCc1ccsc1[*:1] COc1cccc(c1)CN(C[C@@H]1CCCO1)C(=O)[*:1]
CCc1ccsc1C(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CCc1ccsc1C(=O)N(Cc1cccc(c1)OC)[*:1]
CCc1ccsc1C(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 COc1cccc(c1)[*:1] CCc1ccsc1C(=O)N(C[C@@H]1CCCO1)C[*:1]
COC(=O)[C@@H](NC(=O)CN1CCc2sccc2C1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@@H](NC(=O)CN1CCc2sccc2C1)[*:1]
COC(=O)[C@@H](NC(=O)CN1CCc2sccc2C1)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@H](NC(=O)CN1CCc2sccc2C1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)N[C@H](C)C(=O)[O-] C[C@H](C(=O)[O-])[*:1] CC(C)[C@H](NC(N)=O)C(=O)N[*:1]
CC(C)[C@H](NC(N)=O)C(=O)N[C@H](C)C(=O)[O-] CC(C)[*:1] C[C@@H](NC(=O)[C@@H](NC(N)=O)[*:1])C(=O)[O-]
CC(C)[C@H](NC(N)=O)C(=O)N[C@H](C)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NC(N)=O)C(=O)N[C@H](C)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)N[C@H](C)C(=O)[O-] NC(=O)N[*:1] CC(C)[C@H](C(=O)N[C@H](C)C(=O)[O-])[*:1]
CC[C@H](C)N(CC)S(=O)(=O)N1CCNCC1 CC[C@H](C)[*:1] CCN(S(=O)(=O)N1CCNCC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4c(-c5ccccc5)noc4C)o3)CC2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)Cc1nnc(o1)-c1c(noc1C)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4c(-c5ccccc5)noc4C)o3)CC2)cc1C Cc1ccc(cc1C)[*:1] Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(CC2)S(=O)(=O)[*:1])o1
CCCC[C@H](COC)NC(=O)C1(O)Cc2ccccc2C1 CCC[*:1] COC[C@@H](C[*:1])NC(=O)C1(O)Cc2ccccc2C1
CCCC[C@H](COC)NC(=O)C1(O)Cc2ccccc2C1 COC[*:1] CCCC[C@H](NC(=O)C1(O)Cc2ccccc2C1)[*:1]
CCCC[C@H](COC)NC(=O)C1(O)Cc2ccccc2C1 CCCC[*:1] COC[C@H](NC(=O)C1(O)Cc2ccccc2C1)[*:1]
CN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1C(=O)CC[C@H](C(=O)N2CCOCC2)[C@H]1[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)C1 CCOC(=O)[*:1] Cc1ccc(cc1C)C(=O)c1ccccc1C(=O)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)C1 Cc1ccc(cc1C)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)c1ccccc1C(=O)[*:1]
CSCCC[NH2+]Cc1coc(-c2ccc(C)cc2)n1 CSCC[*:1] Cc1ccc(cc1)-c1nc(co1)C[NH2+]C[*:1]
CSCCC[NH2+]Cc1coc(-c2ccc(C)cc2)n1 CSC[*:1] Cc1ccc(cc1)-c1nc(co1)C[NH2+]CC[*:1]
Cc1cc(C)c(NC(=O)CSc2ncnc3c2[nH]c2ccccc23)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CSc1ncnc2c1[nH]c1ccccc12)N[*:1]
CC(C)[C@H](C)c1nc2ccc(N)nc2[nH]1 CC(C)[*:1] C[C@H](c1nc2ccc(N)nc2[nH]1)[*:1]
CC(C)[C@H](C)c1nc2ccc(N)nc2[nH]1 CC(C)[C@H](C)[*:1] Nc1ccc2nc([nH]c2n1)[*:1]
CC(C)CC(C)(C)C(=O)NC1CCN(C(=O)c2ccco2)CC1 CC(C)CC(C)(C)[*:1] O=C(c1ccco1)N1CCC(CC1)NC(=O)[*:1]
CC(C)CC(C)(C)C(=O)NC1CCN(C(=O)c2ccco2)CC1 CC(C)[*:1] CC(C)(C[*:1])C(=O)NC1CCN(CC1)C(=O)c1ccco1
CC(C)CC(C)(C)C(=O)NC1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CC(C)CC(C)(C)C(=O)NC1CCN(CC1)C(=O)[*:1]
CC(C)CC(C)(C)C(=O)NC1CCN(C(=O)c2ccco2)CC1 CC(C)C[*:1] CC(C)(C(=O)NC1CCN(CC1)C(=O)c1ccco1)[*:1]
Cc1cccc(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c1Cl C[C@H]1CN(CCO1)[*:1] Cc1cccc(NC(=O)N2CCC(CC2)[*:1])c1Cl
Cc1cccc(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c1Cl Cc1cccc(c1Cl)[*:1] C[C@H]1CN(CCO1)C1CCN(CC1)C(=O)N[*:1]
O=S(=O)(c1ccc(F)cc1F)N(Cc1ccco1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=S(=O)(c1ccc(F)cc1F)N(Cc1ccco1)[*:1]
O=S(=O)(c1ccc(F)cc1F)N(Cc1ccco1)C[C@@H]1CCCO1 c1coc(c1)C[*:1] O=S(=O)(c1ccc(F)cc1F)N(C[C@@H]1CCCO1)[*:1]
O=S(=O)(c1ccc(F)cc1F)N(Cc1ccco1)C[C@@H]1CCCO1 Fc1ccc(c(F)c1)[*:1] O=S(=O)(N(Cc1ccco1)C[C@@H]1CCCO1)[*:1]
O=S(=O)(c1ccc(F)cc1F)N(Cc1ccco1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=S(=O)(c1ccc(F)cc1F)N(Cc1ccco1)C[*:1]
O=S(=O)(c1ccc(F)cc1F)N(Cc1ccco1)C[C@@H]1CCCO1 c1coc(c1)[*:1] O=S(=O)(c1ccc(F)cc1F)N(C[C@@H]1CCCO1)C[*:1]
COc1ccc(OC)c([C@H](C(=O)[O-])[NH+]2CCN(Cc3[nH+]ccn3C)CC2)c1 O=C([O-])[*:1] COc1ccc(OC)c(c1)[C@H]([NH+]1CCN(CC1)Cc1[nH+]ccn1C)[*:1]
CC(C)OC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 CC(C)OC(=O)[*:1] O=[N+]([O-])c1ccc(nc1)Oc1ccc(cc1)[*:1]
CC(C)OC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 O=[N+]([O-])[*:1] CC(C)OC(=O)c1ccc(cc1)Oc1ccc(cn1)[*:1]
CC(C)OC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 CC(C)[*:1] O=C(O[*:1])c1ccc(cc1)Oc1ccc(cn1)[N+](=O)[O-]
CCCOc1cccc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)c1 CCC[*:1] O=C(/C=c1/[nH]c(=O)/c(=C/c2cccc(c2)O[*:1])s1)c1ccco1
CCCOc1cccc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)c1 CCCO[*:1] O=C(/C=c1/[nH]c(=O)/c(=C/c2cccc(c2)[*:1])s1)c1ccco1
CCCOc1cccc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)c1 O=C(c1ccco1)[*:1] CCCOc1cccc(/C=c2\sc(=C[*:1])[nH]c2=O)c1
CCCOc1cccc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)c1 c1coc(c1)[*:1] CCCOc1cccc(/C=c2\s/c(=C\C(=O)[*:1])[nH]c2=O)c1
CCOC(=O)c1ccccc1C(=O)S O=C(S)[*:1] CCOC(=O)c1ccccc1[*:1]
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC(C)(C)OC(=O)N[C@H]1CCN(C1)C(=O)CNC(=O)[*:1]
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)C1 CC(C)(C)[*:1] O=C(N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(Cl)c1)O[*:1]
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)C1 CC(C)(C)OC(=O)N[*:1] O=C(NCC(=O)N1CC[C@@H](C1)[*:1])c1cccc(Cl)c1
Cn1c(=O)c2c(nc3n2CC(c2ccccc2)=NN3CC[NH+]2CCCC2)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc3N(CC[NH+]4CCCC4)N=C(Cn32)[*:1])n(C)c1=O
CC(C)NC(=O)C(=O)NNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 CC(C)[*:1] O=C(NNC(=O)c1cc(nn1-c1ccccc1)-c1ccco1)C(=O)N[*:1]
CC(C)NC(=O)C(=O)NNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)NC(=O)C(=O)NNC(=O)c1cc(nn1[*:1])-c1ccco1
CC(C)NC(=O)C(=O)NNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 c1coc(c1)[*:1] CC(C)NC(=O)C(=O)NNC(=O)c1cc(nn1-c1ccccc1)[*:1]
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(N)s3)c2C#N)C1 Nc1nnc(S[*:1])s1 CCC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)C[*:1])c2C#N
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(N)s3)c2C#N)C1 Nc1nnc(SC[*:1])s1 CCC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(N)s3)c2C#N)C1 CCC(C)(C)[*:1] N#Cc1c(NC(=O)CSc2nnc(N)s2)sc2C[C@H](CCc21)[*:1]
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(N)s3)c2C#N)C1 Nc1nnc(s1)[*:1] CCC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)CS[*:1])c2C#N
CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CN(Cc1ccc2OCCOc2c1)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 c1cc2OCCOc2cc1[*:1] CN(C[*:1])C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1
COC(=O)[C@@](O)(C(C)C)[C@@H](C)c1ccccc1OC CC(C)[*:1] COC(=O)[C@@](O)([C@@H](C)c1ccccc1OC)[*:1]
COC(=O)[C@@](O)(C(C)C)[C@@H](C)c1ccccc1OC COC(=O)[*:1] COc1ccccc1[C@H](C)[C@@](O)(C(C)C)[*:1]
C[NH+](CC(=O)NCCOc1cccc(F)c1)C1CCS(=O)(=O)CC1 Fc1cccc(c1)[*:1] C[NH+](CC(=O)NCCO[*:1])C1CCS(=O)(=O)CC1
C[NH+](CC(=O)NCCOc1cccc(F)c1)C1CCS(=O)(=O)CC1 Fc1cccc(c1)O[*:1] C[NH+](CC(=O)NCC[*:1])C1CCS(=O)(=O)CC1
Cc1ccc(NC(=O)N2CCC([C@H](NC(=O)c3ccccc3)C(=O)N[C@H](C)C(C)C)CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)N1CCC(CC1)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)[*:1]
Cc1ccc(NC(=O)N2CCC([C@H](NC(=O)c3ccccc3)C(=O)N[C@H](C)C(C)C)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCC([C@H](NC(=O)c3ccccc3)C(=O)N[C@H](C)C(C)C)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)N1CCC(CC1)[C@H](NC(=O)[*:1])C(=O)N[C@H](C)C(C)C
Cc1ccc(NC(=O)N2CCC([C@H](NC(=O)c3ccccc3)C(=O)N[C@H](C)C(C)C)CC2)cc1 O=C(N[*:1])c1ccccc1 Cc1ccc(cc1)NC(=O)N1CCC(CC1)[C@H](C(=O)N[C@H](C)C(C)C)[*:1]
N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 N#Cc1ccccc1[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCC1)c1ccccc1[*:1]
CCOCCN(C)C(=O)c1cccc(CN2CCCC2=O)c1 CCOCC[*:1] CN(C(=O)c1cccc(c1)CN1CCCC1=O)[*:1]
CCOCCN(C)C(=O)c1cccc(CN2CCCC2=O)c1 CCOC[*:1] CN(C[*:1])C(=O)c1cccc(c1)CN1CCCC1=O
CCOCCN(C)C(=O)c1cccc(CN2CCCC2=O)c1 CCO[*:1] CN(CC[*:1])C(=O)c1cccc(c1)CN1CCCC1=O
CCOCCN(C)C(=O)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] CCOCCN(C)C(=O)c1cccc(c1)C[*:1]
CCOCCN(C)C(=O)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] CCOCCN(C)C(=O)c1cccc(c1)[*:1]
Cc1cccc(N(C)C(=O)Cn2c(N3CCOCC3)nc(C)cc2=O)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)N(C)C(=O)Cn1c(nc(C)cc1=O)[*:1]
Cc1cccc(N(C)C(=O)Cn2c(N3CCOCC3)nc(C)cc2=O)c1 Cc1cccc(c1)[*:1] Cc1cc(=O)n(CC(=O)N(C)[*:1])c(n1)N1CCOCC1
O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nc1cccc(c1)-c1nc[nH]n1)[*:1]
O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cccc(Cl)c1 c1nc(n[nH]1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(Cl)c1
COc1cc(C)ccc1NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 CN(C)S(=O)(=O)[*:1] COc1cc(C)ccc1NC(=O)c1cc(c(C)o1)[*:1]
C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CC[C@@H]2CCCC[C@@H]2C1
O=C(Nc1ccc(F)cc1Cl)c1cc2ccc3cccnc3c2[nH]1 Fc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])c1cc2ccc3cccnc3c2[nH]1
CC[C@](C)(NCc1cc(Cl)nc(Cl)c1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@](C)(NCc1cc(Cl)nc(Cl)c1)[*:1]
CC(C)Cc1ccc([C@@H]2[C@@H](C[NH3+])CCCN2C)cc1 CC(C)[*:1] CN1CCC[C@H](C[NH3+])[C@H]1c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@@H]2[C@@H](C[NH3+])CCCN2C)cc1 CC(C)C[*:1] CN1CCC[C@H](C[NH3+])[C@H]1c1ccc(cc1)[*:1]
C[C@@](O)(CNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(F)cc1 O=C(N[*:1])C1CC1 C[C@@](O)(CNC(=O)c1ccc(cc1)[*:1])c1ccc(F)cc1
C[C@@](O)(CNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(F)cc1 C1CC1[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)NC(=O)[*:1])c1ccc(F)cc1
C[C@@](O)(CNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)NC(=O)C1CC1)[*:1]
C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)C[C@]1(C)O c1ccc(cc1)C[*:1] C[C@@H]1CN(C[C@]1(C)O)C(=O)c1ccccc1S(=O)(=O)[*:1]
C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)C[C@]1(C)O c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@]1(C)O)C(=O)c1ccccc1S(=O)(=O)C[*:1]
Cc1cc(C)c(NC(=O)CCCSCC(=O)N2CCCCC2)c(C)c1 O=C(N1CCCCC1)[*:1] Cc1cc(C)c(NC(=O)CCCSC[*:1])c(C)c1
C#CCNCC(=O)O[C@H]1CCCC[C@@H]1C C#CCN[*:1] C[C@H]1CCCC[C@@H]1OC(=O)C[*:1]
C#CCNCC(=O)O[C@H]1CCCC[C@@H]1C C#CC[*:1] C[C@H]1CCCC[C@@H]1OC(=O)CN[*:1]
C#CCNCC(=O)O[C@H]1CCCC[C@@H]1C C#CCNC[*:1] C[C@H]1CCCC[C@@H]1OC(=O)[*:1]
COCC1CCN(C(=O)NC[C@H]2CC[C@H](C(=O)[O-])O2)CC1 O=C([O-])[*:1] COCC1CCN(CC1)C(=O)NC[C@H]1CC[C@H](O1)[*:1]
COCC1CCN(C(=O)NC[C@H]2CC[C@H](C(=O)[O-])O2)CC1 COC[*:1] O=C([O-])[C@H]1CC[C@H](CNC(=O)N2CCC(CC2)[*:1])O1
COc1ccc(/C=C/C(=O)NNC(=S)NC2CCCCC2)cc1F C1CCC(CC1)[*:1] COc1ccc(/C=C/C(=O)NNC(=S)N[*:1])cc1F
CC(C)n1cnnc1[S@](=O)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C CC(C)[*:1] C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)[S@@](=O)c1nncn1[*:1]
CC(C)n1cnnc1[S@](=O)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@H]1[*:1] CC(C)n1cnnc1[S@](=O)[C@H](C)C(=O)N[*:1]
CC(C)NC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 CC(C)[*:1] C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[*:1]
Cc1ccc2c(c1)CCCN2[C@H](C)[C@@H](C)C(=O)NN NNC(=O)[*:1] Cc1ccc2c(c1)CCCN2[C@H](C)[C@@H](C)[*:1]
O=C(Cn1nc(-c2ccco2)ccc1=O)N[C@@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] O=C(Cn1nc(ccc1=O)-c1ccco1)N[C@@H](c1ccccc1)[*:1]
O=C(Cn1nc(-c2ccco2)ccc1=O)N[C@@H](C(=O)[O-])c1ccccc1 c1coc(c1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N[C@@H](C(=O)[O-])c1ccccc1
O=C(Cn1nc(-c2ccco2)ccc1=O)N[C@@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccco1)N[C@@H](C(=O)[O-])[*:1]
C=CCN1C(=O)[C@@H](CC)S/C1=N/c1cccc2ccccc12 C=CC[*:1] CC[C@H]1S/C(=N/c2cccc3ccccc23)N(C1=O)[*:1]
CSCCN(C#N)c1ccc(F)c(Cl)c1 CSC[*:1] N#CN(C[*:1])c1ccc(F)c(Cl)c1
CSCCN(C#N)c1ccc(F)c(Cl)c1 CSCC[*:1] N#CN(c1ccc(F)c(Cl)c1)[*:1]
CN(c1ccccc1)C1CCN(c2ccc3cc(C#N)ccc3n2)CC1 CN(c1ccccc1)[*:1] N#Cc1ccc2nc(ccc2c1)N1CCC(CC1)[*:1]
CN(c1ccccc1)C1CCN(c2ccc3cc(C#N)ccc3n2)CC1 c1ccc(cc1)[*:1] CN(C1CCN(CC1)c1ccc2cc(C#N)ccc2n1)[*:1]
CCN(C(=O)Cn1nnc(-c2ccccc2C)n1)c1ccccc1 Cc1ccccc1[*:1] CCN(C(=O)Cn1nnc(n1)[*:1])c1ccccc1
CCN(C(=O)Cn1nnc(-c2ccccc2C)n1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)Cn1nnc(n1)-c1ccccc1C)[*:1]
O=C(NCc1nnnn1C1CCCCC1)Nc1ccccc1 C1CCC(CC1)[*:1] O=C(NCc1nnnn1[*:1])Nc1ccccc1
O=C(NCc1nnnn1C1CCCCC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1nnnn1C1CCCCC1)N[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCS(=O)(=O)CC2)C1 CC[S@@](=O)[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])N1CCS(=O)(=O)CC1
COCCn1c(N2CCN(Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C COCC[*:1] Cc1ccccc1CN1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
COCCn1c(N2CCN(Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C Cc1ccccc1C[*:1] COCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)[*:1]
COCCn1c(N2CCN(Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C Cc1ccccc1[*:1] COCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)C[*:1]
COCCn1c(N2CCN(Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C COC[*:1] Cc1ccccc1CN1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
N#Cc1ccc(OCCNC(=O)CNC(=O)c2ccc(F)c(F)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(F)c(F)c1)NCCO[*:1]
N#Cc1ccc(OCCNC(=O)CNC(=O)c2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] N#Cc1ccc(cc1)OCCNC(=O)CNC(=O)[*:1]
CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc2cccnc2c1N CC(C)(C)[*:1] Nc1c(ccc2cccnc12)C(=O)OCC(=O)NC(=O)N[*:1]
O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(CN2C(=O)CNC2=O)c1 O=C1CNC(=O)N1C[*:1] O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(c1)[*:1]
O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(CN2C(=O)CNC2=O)c1 O=C1CNC(=O)N1[*:1] O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(c1)C[*:1]
CN(CCc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)C(=O)Nc1ccc2OCOc2c1
CN(CCc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)CC[*:1] CN(C(=O)C(=O)Nc1ccc2OCOc2c1)[*:1]
CN(CCc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2OCOc2c1
CCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 CCCS[*:1] Clc1ccc(cc1)-c1n[nH]c(n1)[*:1]
CCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 CCC[*:1] Clc1ccc(cc1)-c1n[nH]c(n1)S[*:1]
Cc1ccc([C@]2(OCc3ccccc3)NC(=O)c3cc4c(cc32)OCCO4)cc1 Cc1ccc(cc1)[*:1] O=C1N[C@@](OCc2ccccc2)(c2cc3OCCOc3cc21)[*:1]
Cc1ccc([C@]2(OCc3ccccc3)NC(=O)c3cc4c(cc32)OCCO4)cc1 c1ccc(cc1)CO[*:1] Cc1ccc(cc1)[C@@]1(NC(=O)c2cc3OCCOc3cc21)[*:1]
Cc1ccc([C@]2(OCc3ccccc3)NC(=O)c3cc4c(cc32)OCCO4)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@]1(NC(=O)c2cc3OCCOc3cc21)OC[*:1]
Cc1ccc([C@]2(OCc3ccccc3)NC(=O)c3cc4c(cc32)OCCO4)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)[C@@]1(NC(=O)c2cc3OCCOc3cc21)O[*:1]
NNC(=O)c1ccc(CSc2cc3ccccc3[nH]2)s1 NNC(=O)[*:1] c1ccc2[nH]c(cc2c1)SCc1ccc(s1)[*:1]
C[C@@H](c1cccc(C(F)(F)F)c1)[C@@H](C)O C[C@@H](O)[*:1] C[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
C[C@@H](c1cccc(C(F)(F)F)c1)[C@@H](C)O C[C@@H]([C@@H](C)O)[*:1] FC(F)(F)c1cccc(c1)[*:1]
C[C@@H](c1cccc(C(F)(F)F)c1)[C@@H](C)O FC(F)(F)[*:1] C[C@@H](c1cccc(c1)[*:1])[C@@H](C)O
O=C(Cc1cc(F)ccc1F)NO[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] O=C(Cc1cc(F)ccc1F)NO[*:1]
CC[C@H](NC(=O)N[C@H]1CCCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)N[C@H]1CCCC[C@H]1CO)c1cccc(c1)[*:1]
COc1cccc(C(=O)/C(C#N)=C\c2csc(N(C)C(C)=O)n2)c1 CC(=O)N(C)[*:1] COc1cccc(c1)C(=O)/C(C#N)=C\c1csc(n1)[*:1]
COc1cccc(C(=O)/C(C#N)=C\c2csc(N(C)C(C)=O)n2)c1 COc1cccc(c1)[*:1] CC(=O)N(C)c1nc(/C=C(/C#N)C(=O)[*:1])cs1
CN(CCNC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 CN(c1ccccc1)[*:1] O=C(NCC[*:1])C(=O)Nc1cccc(Cl)c1Cl
CN(CCNC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 Clc1cccc(c1Cl)[*:1] CN(CCNC(=O)C(=O)N[*:1])c1ccccc1
CN(CCNC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 c1ccc(cc1)[*:1] CN(CCNC(=O)C(=O)Nc1cccc(Cl)c1Cl)[*:1]
CN(Cc1ccc(C#N)cc1)C(=O)NCCN(C)c1ccccc1 N#Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)NCCN(C)c1ccccc1
CN(Cc1ccc(C#N)cc1)C(=O)NCCN(C)c1ccccc1 CN(c1ccccc1)[*:1] CN(Cc1ccc(C#N)cc1)C(=O)NCC[*:1]
CN(Cc1ccc(C#N)cc1)C(=O)NCCN(C)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(C#N)cc1)C(=O)NCCN(C)[*:1]
COc1ccc2c(=O)cc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)oc2c1 Fc1ccc(cc1)[*:1] COc1ccc2c(=O)cc(oc2c1)C(=O)N1CCN(CC1)C[*:1]
COc1ccc2c(=O)cc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)oc2c1 Fc1ccc(cc1)C[*:1] COc1ccc2c(=O)cc(oc2c1)C(=O)N1CCN(CC1)[*:1]
COc1c(C(=O)NN)cc(C(C)(C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1c(cc(cc1[*:1])C(C)(C)C)C(=O)NN
COc1c(C(=O)NN)cc(C(C)(C)C)cc1[N+](=O)[O-] NNC(=O)[*:1] COc1c(cc(cc1[*:1])C(C)(C)C)[N+](=O)[O-]
COc1c(C(=O)NN)cc(C(C)(C)C)cc1[N+](=O)[O-] CC(C)(C)[*:1] COc1c(cc(cc1[N+](=O)[O-])[*:1])C(=O)NN
CC[C@H](C)[C@@H]([NH3+])c1ccc2nccnc2c1 CC[C@H](C)[*:1] [NH3+][C@@H](c1ccc2nccnc2c1)[*:1]
CC(C)c1ccc(OCC[C@H]2CCC[C@@]2([NH3+])C(=O)[O-])cc1 CC(C)[*:1] [NH3+][C@]1(CCC[C@@H]1CCOc1ccc(cc1)[*:1])C(=O)[O-]
CCOc1ccc(NC(=O)/C(=C\c2ccccc2)NC(C)=O)cc1F c1ccc(cc1)[*:1] CCOc1ccc(cc1F)NC(=O)C(=C[*:1])NC(C)=O
CCOc1ccc(NC(=O)/C(=C\c2ccccc2)NC(C)=O)cc1F CC(=O)N[*:1] CCOc1ccc(cc1F)NC(=O)C(=Cc1ccccc1)[*:1]
CCOc1ccc(NC(=O)/C(=C\c2ccccc2)NC(C)=O)cc1F CCO[*:1] CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(c(F)c1)[*:1]
N#Cc1ccsc1NC(=O)COC(=O)c1cnccn1 c1cnc(cn1)[*:1] N#Cc1ccsc1NC(=O)COC(=O)[*:1]
CN(C)c1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CC[NH2+]CC2)n1 c1ccc(cc1)C[*:1] CN(C)c1cc(nc(n1)C1CC[NH2+]CC1)[C@@H]1CC(=O)N(C1)[*:1]
CN(C)c1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CC[NH2+]CC2)n1 c1ccc(cc1)[*:1] CN(C)c1cc(nc(n1)C1CC[NH2+]CC1)[C@@H]1CC(=O)N(C1)C[*:1]
CN(C)c1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CC[NH2+]CC2)n1 CN(C)[*:1] O=C1C[C@H](CN1Cc1ccccc1)c1cc(nc(n1)C1CC[NH2+]CC1)[*:1]
O=C1C(Cl)=C(NCc2ccc3c(c2)OCO3)C(=O)N1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1C(Cl)=C(NC[*:1])C(=O)N1Cc1ccc2OCOc2c1
O=C1C(Cl)=C(NCc2ccc3c(c2)OCO3)C(=O)N1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1C(Cl)=C(NCc2ccc3OCOc3c2)C(=O)N1C[*:1]
CN(C)c1nc(Nc2ccccc2)c2c([nH+]1)C[C@H]1CC[C@@H]2N1C(=O)CC[NH3+] c1ccc(cc1)[*:1] CN(C)c1nc(N[*:1])c2c(C[C@H]3CC[C@@H]2N3C(=O)CC[NH3+])[nH+]1
CN(C)c1nc(Nc2ccccc2)c2c([nH+]1)C[C@H]1CC[C@@H]2N1C(=O)CC[NH3+] CN(C)[*:1] [NH3+]CCC(=O)N1[C@H]2CC[C@@H]1Cc1[nH+]c(nc(Nc3ccccc3)c12)[*:1]
CN(C)c1nc(Nc2ccccc2)c2c([nH+]1)C[C@H]1CC[C@@H]2N1C(=O)CC[NH3+] c1ccc(cc1)N[*:1] CN(C)c1nc(c2c(C[C@H]3CC[C@@H]2N3C(=O)CC[NH3+])[nH+]1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)N2CCc3ccccc3CC2)C1 CS(=O)(=O)[*:1] O=C(N[C@H]1CCC[C@@H](C1)[*:1])N1CCc2ccccc2CC1
Cc1ccc(F)c(/C([O-])=N/S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c1 O=[N+]([O-])[*:1] Cc1ccc(F)c(c1)/C([O-])=N/S(=O)(=O)c1ccc(nc1)[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1-c1cncnc1 c1ncc(cn1)[*:1] O=C(Nc1cc(ccc1O)[N+](=O)[O-])c1ccccc1[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1-c1cncnc1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1O)[*:1])c1ccccc1-c1cncnc1
C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 O=C(N[*:1])c1ccco1 C[C@@H](C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 c1coc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
NC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CCCCC1 NC(=O)C[*:1] O=C(N[C@H](C1CCCCC1)[*:1])[C@H]1C[C@@H]1c1ccc(F)cc1
NC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CCCCC1 NC(=O)[*:1] O=C(N[C@@H](C[*:1])C1CCCCC1)[C@H]1C[C@@H]1c1ccc(F)cc1
NC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CCCCC1 C1CCC(CC1)[*:1] NC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)[*:1]
NC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CCCCC1 Fc1ccc(cc1)[*:1] NC(=O)C[C@H](NC(=O)[C@H]1C[C@H]1[*:1])C1CCCCC1
O=C(Nc1ccccc1C(=O)[O-])c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(Nc1ccccc1C(=O)[O-])c1ccc(cc1)C[*:1]
O=C(Nc1ccccc1C(=O)[O-])c1ccc(CN2CCOCC2)cc1 O=C([O-])[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)CN1CCOCC1
O=C(Nc1ccccc1C(=O)[O-])c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=C(Nc1ccccc1C(=O)[O-])c1ccc(cc1)[*:1]
Cc1ccccc1C(=O)OCC#CCSc1nncn1C Cn1cnnc1[*:1] Cc1ccccc1C(=O)OCC#CCS[*:1]
Cc1ccccc1C(=O)OCC#CCSc1nncn1C Cc1ccccc1[*:1] Cn1cnnc1SCC#CCOC(=O)[*:1]
Cc1ccccc1C(=O)OCC#CCSc1nncn1C Cn1cnnc1S[*:1] Cc1ccccc1C(=O)OCC#CC[*:1]
CCNC(=O)c1ccc(N(CC(=O)[O-])C(C)(C)C)[nH+]n1 O=C([O-])[*:1] CCNC(=O)c1ccc([nH+]n1)N(C[*:1])C(C)(C)C
CCNC(=O)c1ccc(N(CC(=O)[O-])C(C)(C)C)[nH+]n1 O=C([O-])C[*:1] CCNC(=O)c1ccc([nH+]n1)N(C(C)(C)C)[*:1]
CCNC(=O)c1ccc(N(CC(=O)[O-])C(C)(C)C)[nH+]n1 CC(C)(C)[*:1] CCNC(=O)c1ccc([nH+]n1)N(CC(=O)[O-])[*:1]
CCNC(=O)c1ccc(N(CC(=O)[O-])C(C)(C)C)[nH+]n1 CCNC(=O)[*:1] CC(C)(C)N(CC(=O)[O-])c1ccc(n[nH+]1)[*:1]
Cc1ccccc1NCCC(=O)Nc1cccc(NC(=O)NC2CC2)c1 Cc1ccccc1N[*:1] O=C(CC[*:1])Nc1cccc(c1)NC(=O)NC1CC1
Cc1ccccc1NCCC(=O)Nc1cccc(NC(=O)NC2CC2)c1 Cc1ccccc1[*:1] O=C(CCN[*:1])Nc1cccc(c1)NC(=O)NC1CC1
Cc1ccccc1NCCC(=O)Nc1cccc(NC(=O)NC2CC2)c1 O=C(NC1CC1)N[*:1] Cc1ccccc1NCCC(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1NCCC(=O)Nc1cccc(NC(=O)NC2CC2)c1 C1CC1[*:1] Cc1ccccc1NCCC(=O)Nc1cccc(c1)NC(=O)N[*:1]
CCOC(=O)[C@@H]1C(=O)N[C@H]2c3ccccc3O[C@@H]3CCCC[C@@]132 CCOC(=O)[*:1] O=C1N[C@H]2c3ccccc3O[C@@H]3CCCC[C@@]32[C@@H]1[*:1]
O=C(NCCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccco1 c1ccc(cc1)C[*:1] O=C(NCCNC(=O)[C@H]1CN(CCO1)[*:1])c1ccco1
O=C(NCCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(NCC[*:1])[C@H]1CN(CCO1)Cc1ccccc1
O=C(NCCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccco1 c1ccc(cc1)[*:1] O=C(NCCNC(=O)[C@H]1CN(CCO1)C[*:1])c1ccco1
O=C(NCCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccco1 c1coc(c1)[*:1] O=C(NCCNC(=O)[*:1])[C@H]1CN(CCO1)Cc1ccccc1
COc1ccc(-c2ccc3c(ccn3CC(=O)Nc3cnn(C)n3)c2)cc1 COc1ccc(cc1)[*:1] Cn1ncc(n1)NC(=O)Cn1ccc2cc(ccc21)[*:1]
COc1ccc(-c2ccc3c(ccn3CC(=O)Nc3cnn(C)n3)c2)cc1 Cn1ncc(n1)NC(=O)[*:1] COc1ccc(cc1)-c1ccc2c(ccn2C[*:1])c1
COc1ccc(-c2ccc3c(ccn3CC(=O)Nc3cnn(C)n3)c2)cc1 Cn1ncc(n1)[*:1] COc1ccc(cc1)-c1ccc2c(ccn2CC(=O)N[*:1])c1
C[C@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)[NH+]1CCCCC1 c1csc(c1)[*:1] C[C@H](C(=O)NCCn1ncc(-c2cnccn2)c1[*:1])[NH+]1CCCCC1
C[C@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)[NH+]1CCCCC1 c1cnc(cn1)[*:1] C[C@H](C(=O)NCCn1ncc(c1-c1cccs1)[*:1])[NH+]1CCCCC1
COc1ccc(O[C@H](C)CNC(=O)c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)O[C@H](C)CNC(=O)[*:1]
Cc1ccc2occ(/C=N\NC(=O)c3ccccc3O)c(=O)c2c1 Oc1ccccc1[*:1] Cc1ccc2occ(/C=N\NC(=O)[*:1])c(=O)c2c1
Cc1nsc(N2CCCN(Cc3cnnn3C)CC2)n1 Cn1nncc1[*:1] Cc1nsc(n1)N1CCCN(CC1)C[*:1]
Cc1nsc(N2CCCN(Cc3cnnn3C)CC2)n1 Cc1nsc(n1)[*:1] Cn1nncc1CN1CCCN(CC1)[*:1]
C[C@H](NC(=O)c1ccccc1O)c1cccc(-n2ccnc2)c1 Oc1ccccc1[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)-n1ccnc1
C[C@H](NC(=O)c1ccccc1O)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] C[C@H](NC(=O)c1ccccc1O)c1cccc(c1)[*:1]
Cc1ccccc1N1C(=O)[C@@H](Cc2ccc(Cl)cc2)S/C1=C(\C#N)C(N)=O NC(=O)[*:1] Cc1ccccc1N1C(=O)[C@@H](Cc2ccc(Cl)cc2)SC1=C(C#N)[*:1]
Cc1ccccc1N1C(=O)[C@@H](Cc2ccc(Cl)cc2)S/C1=C(\C#N)C(N)=O Cc1ccccc1[*:1] N#C/C(C(N)=O)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1[*:1]
Cc1ccccc1N1C(=O)[C@@H](Cc2ccc(Cl)cc2)S/C1=C(\C#N)C(N)=O Clc1ccc(cc1)C[*:1] Cc1ccccc1N1C(=O)[C@@H](S/C1=C(\C#N)C(N)=O)[*:1]
Cc1ccccc1N1C(=O)[C@@H](Cc2ccc(Cl)cc2)S/C1=C(\C#N)C(N)=O Clc1ccc(cc1)[*:1] Cc1ccccc1N1C(=O)[C@@H](C[*:1])S/C1=C(\C#N)C(N)=O
O=C(NCc1ncccc1F)Nc1cccc(-c2ccc3c(c2)CCO3)c1 Fc1cccnc1C[*:1] O=C(Nc1cccc(c1)-c1ccc2OCCc2c1)N[*:1]
O=C(NCc1ncccc1F)Nc1cccc(-c2ccc3c(c2)CCO3)c1 Fc1cccnc1[*:1] O=C(NC[*:1])Nc1cccc(c1)-c1ccc2OCCc2c1
O=C(NCc1ncccc1F)Nc1cccc(-c2ccc3c(c2)CCO3)c1 c1cc2OCCc2cc1[*:1] O=C(NCc1ncccc1F)Nc1cccc(c1)[*:1]
COc1cc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])[C@H]1CC(=O)N(C2CC(C)(C)CC(=O)C=21)N(C)C
COc1cc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])[C@H]1CC(=O)N(C2CC(C)(C)CC(=O)C=21)N(C)C
COc1cc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])[C@H]1CC(=O)N(C2CC(C)(C)CC(=O)C=21)N(C)C
COCCOCCNC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C COCC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)NCCO[*:1]
COCCOCCNC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C COC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)NCCOC[*:1]
COCCOCCNC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C COCCO[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)NCC[*:1]
COCCOCCNC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C COCCOCC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)N[*:1]
COCCOCCNC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C COCCOC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)NC[*:1]
Fc1ccc(-c2cn3nc(N4CCOCC4)sc3n2)cc1 Fc1ccc(cc1)[*:1] c1c(nc2sc(nn12)N1CCOCC1)[*:1]
Fc1ccc(-c2cn3nc(N4CCOCC4)sc3n2)cc1 C1CN(CCO1)[*:1] Fc1ccc(cc1)-c1cn2nc(sc2n1)[*:1]
C[NH+](C)CC(C)(C)Cn1c[nH+]c(-c2ccccc2)c1-c1ccncc1 c1ccc(cc1)[*:1] C[NH+](C)CC(C)(C)Cn1c[nH+]c(c1-c1ccncc1)[*:1]
C[NH+](C)CC(C)(C)Cn1c[nH+]c(-c2ccccc2)c1-c1ccncc1 c1cc(ccn1)[*:1] C[NH+](C)CC(C)(C)Cn1c[nH+]c(-c2ccccc2)c1[*:1]
CCC[NH+](Cc1cc(=O)oc2cc(C)ccc12)CC1CC1 CCC[*:1] Cc1ccc2c(cc(=O)oc2c1)C[NH+](CC1CC1)[*:1]
CCC[NH+](Cc1cc(=O)oc2cc(C)ccc12)CC1CC1 C1CC1[*:1] CCC[NH+](Cc1cc(=O)oc2cc(C)ccc12)C[*:1]
CCC[NH+](Cc1cc(=O)oc2cc(C)ccc12)CC1CC1 C1CC1C[*:1] CCC[NH+](Cc1cc(=O)oc2cc(C)ccc12)[*:1]
Nc1nccnc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 Nc1nccnc1[*:1] O=C(N1CCC[C@H](C1)c1nc2ccccc2o1)[*:1]
COc1cccc([C@@H](CNCc2cc(Br)ccc2F)N2CCCC2)c1 C1CCN(C1)[*:1] COc1cccc(c1)[C@@H](CNCc1cc(Br)ccc1F)[*:1]
COc1cccc([C@@H](CNCc2cc(Br)ccc2F)N2CCCC2)c1 Fc1ccc(Br)cc1[*:1] COc1cccc(c1)[C@@H](CNC[*:1])N1CCCC1
COc1cccc([C@@H](CNCc2cc(Br)ccc2F)N2CCCC2)c1 COc1cccc(c1)[*:1] Fc1ccc(Br)cc1CNC[C@@H](N1CCCC1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Cl)nc2)c1 CCCC(=O)N[*:1] CN(Cc1ccc(Cl)nc1)C(=O)Nc1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Cl)nc2)c1 Clc1ccc(cn1)C[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)N(C)[*:1]
CCCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Cl)nc2)c1 Clc1ccc(cn1)[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)N(C)C[*:1]
CCCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Cl)nc2)c1 CCC[*:1] CN(Cc1ccc(Cl)nc1)C(=O)Nc1cccc(c1)NC(=O)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)CSc2ccncc2)n1 c1cc(ccn1)S[*:1] CC(C)c1csc(n1)[C@H](C#N)C(=O)C[*:1]
CC(C)c1csc([C@H](C#N)C(=O)CSc2ccncc2)n1 c1cc(ccn1)[*:1] CC(C)c1csc(n1)[C@H](C#N)C(=O)CS[*:1]
CC(C)c1csc([C@H](C#N)C(=O)CSc2ccncc2)n1 CC(C)[*:1] N#C[C@H](C(=O)CSc1ccncc1)c1nc(cs1)[*:1]
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)SC(N)=N1 c1ccc(cc1)[*:1] CC1N=C(N)S[C@H](C=1C(=O)OC(C)(C)C)[*:1]
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)SC(N)=N1 CC(C)(C)[*:1] CC1N=C(N)S[C@@H](C=1C(=O)O[*:1])c1ccccc1
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)SC(N)=N1 CC(C)(C)OC(=O)[*:1] CC1N=C(N)S[C@@H](C=1[*:1])c1ccccc1
CC[C@H]1CCC[C@@H]([NH2+][C@@](C)(CC)C(=O)[O-])C1 O=C([O-])[*:1] CC[C@H]1CCC[C@H](C1)[NH2+][C@@](C)(CC)[*:1]
CCCCOc1cc2c(cc1Br)[C@@H]([NH2+]CCC)C(=O)N2 CCC[*:1] CCC[NH2+][C@H]1C(=O)Nc2cc(OC[*:1])c(Br)cc21
CCCCOc1cc2c(cc1Br)[C@@H]([NH2+]CCC)C(=O)N2 CCCCO[*:1] CCC[NH2+][C@H]1C(=O)Nc2cc(c(Br)cc21)[*:1]
CCCCOc1cc2c(cc1Br)[C@@H]([NH2+]CCC)C(=O)N2 CCCC[*:1] CCC[NH2+][C@H]1C(=O)Nc2cc(O[*:1])c(Br)cc21
CCCCOc1cc2c(cc1Br)[C@@H]([NH2+]CCC)C(=O)N2 CCC[*:1] CCCCOc1cc2NC(=O)[C@H]([NH2+][*:1])c2cc1Br
[NH3+][C@H](CCC(F)(F)F)[C@@H]1CCc2cccnc21 FC(F)(F)C[*:1] [NH3+][C@H](C[*:1])[C@@H]1CCc2cccnc21
[NH3+][C@H](CCC(F)(F)F)[C@@H]1CCc2cccnc21 FC(F)(F)[*:1] [NH3+][C@H](CC[*:1])[C@@H]1CCc2cccnc21
C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)C(=O)N1CCCCC1)[*:1]
C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(F)cn1 O=C(N1CCCCC1)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc(F)cn1
CCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc4nsnc4c3)ccc21 c1cc2nsnc2cc1[*:1] CCS(=O)(=O)N1CCCc2cc(ccc21)NC(=O)[*:1]
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)[*:1]
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)[*:1]
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(C)cc1 Fc1cccc(c1F)[*:1] COC(=O)[C@H](NC(=O)[C@H]1C[C@H]1[*:1])c1ccc(C)cc1
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CC(F)(F)F)[C@@H]1C FC(F)(F)[*:1] C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C[*:1])[C@@H]1C
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CC(F)(F)F)[C@@H]1C FC(F)(F)C[*:1] C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2[*:1])[C@@H]1C
COc1ccc(Br)c(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] COc1ccc(Br)c(c1)C(=O)NNC(=O)[C@@H](C)O[*:1]
Cc1nnc2ccc(C(=O)N[C@H](C#N)C(C)(C)C)cn12 CC(C)(C)[*:1] Cc1nnc2ccc(cn12)C(=O)N[C@H](C#N)[*:1]
C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(F)cc1F c1ccc(cc1)[*:1] C[C@@H]([NH2+]CC1(CC1)[C@H](O)[*:1])c1ccc(F)cc1F
COC(=O)c1ccc(/N=C(\Nc2ccc(Cl)cc2)n2sc(C)cc2=N)cc1 Clc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)/N=C(\N[*:1])n1sc(C)cc1=N
COC(=O)c1ccc(/N=C(\Nc2ccc(Cl)cc2)n2sc(C)cc2=N)cc1 COC(=O)[*:1] Cc1cc(=N)n(s1)/C(=N/c1ccc(cc1)[*:1])Nc1ccc(Cl)cc1
CCc1ccc(C(=O)NNC(=O)N[C@@H](CC)c2c(C)nn(C)c2C)cc1 CCc1ccc(cc1)[*:1] CC[C@H](NC(=O)NNC(=O)[*:1])c1c(C)nn(C)c1C
CCc1ccc(C(=O)NNC(=O)N[C@@H](CC)c2c(C)nn(C)c2C)cc1 Cc1nn(C)c(C)c1[*:1] CCc1ccc(cc1)C(=O)NNC(=O)N[C@@H](CC)[*:1]
C[C@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@H](OC(=O)c1cc(Cl)c2OCCOc2c1)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1cc2ccccc2oc1=O c1cncc(c1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1[*:1])c1cc2ccccc2oc1=O
O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1cc2ccccc2oc1=O O=c1oc2ccccc2cc1[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1c1cccnc1)[*:1]
CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(C(N)=O)cc1 Fc1cccc(c1F)[*:1] CN(C(=O)[C@@H]1C[C@@H]1[*:1])c1ccc(cc1)C(N)=O
CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(C(N)=O)cc1 NC(=O)[*:1] CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(cc1)[*:1]
CCCNC(=O)c1cccc(C(=O)Nc2cnc(C(C)(C)C)nc2)c1 CCCNC(=O)[*:1] CC(C)(C)c1ncc(cn1)NC(=O)c1cccc(c1)[*:1]
CCCNC(=O)c1cccc(C(=O)Nc2cnc(C(C)(C)C)nc2)c1 CCC[*:1] CC(C)(C)c1ncc(cn1)NC(=O)c1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(C(=O)Nc2cnc(C(C)(C)C)nc2)c1 CC(C)(C)[*:1] CCCNC(=O)c1cccc(c1)C(=O)Nc1cnc(nc1)[*:1]
COC(=O)c1cc(OC2CC[NH+](C)CC2)cc(C)c1N COC(=O)[*:1] Cc1cc(cc(c1N)[*:1])OC1CC[NH+](C)CC1
COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OCC[NH+](C)C C[NH+](C)CCO[*:1] COc1cc(C(=O)[O-])c(cc1[*:1])[N+](=O)[O-]
COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OCC[NH+](C)C O=[N+]([O-])[*:1] COc1cc(C(=O)[O-])c(cc1OCC[NH+](C)C)[*:1]
COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OCC[NH+](C)C O=C([O-])[*:1] COc1cc(c(cc1OCC[NH+](C)C)[N+](=O)[O-])[*:1]
CC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@@H]1C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@@H]1C)[*:1]
CC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@@H]1C)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)N1CCc2sccc2[C@@H]1C)[*:1]
Cc1nc([C@H](NC(=O)[C@@H]2CSC(=O)N2)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@H](NC(=O)[C@@H]1CSC(=O)N1)[*:1]
Cc1nc([C@H](NC(=O)[C@@H]2CSC(=O)N2)c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C1N[C@@H](CS1)C(=O)N[C@H](c1ccccc1)[*:1]
COCCCOc1cccc(C[NH+]2CCNC(=O)CC2)c1 COCC[*:1] O=C1CC[NH+](CCN1)Cc1cccc(c1)OC[*:1]
COCCCOc1cccc(C[NH+]2CCNC(=O)CC2)c1 COCCC[*:1] O=C1CC[NH+](CCN1)Cc1cccc(c1)O[*:1]
COCCCOc1cccc(C[NH+]2CCNC(=O)CC2)c1 COC[*:1] O=C1CC[NH+](CCN1)Cc1cccc(c1)OCC[*:1]
COCCCOc1cccc(C[NH+]2CCNC(=O)CC2)c1 COCCCO[*:1] O=C1CC[NH+](CCN1)Cc1cccc(c1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NNc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] Cc1onc(-c2ccccc2)c1C(=O)NN[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NNc1cc(Cl)ccc1Cl c1ccc(cc1)[*:1] Cc1onc(c1C(=O)NNc1cc(Cl)ccc1Cl)[*:1]
Cc1cccc(NC(=O)C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(NCCN1CCN(CC1)c1ccc(Cl)cc1)C(=O)N[*:1]
Cc1cccc(NC(=O)C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1C Clc1ccc(cc1)[*:1] Cc1cccc(NC(=O)C(=O)NCCN2CCN(CC2)[*:1])c1C
N#Cc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCc4ccccc43)c2)c1 N#Cc1cccc(c1)[*:1] O=C(Cn1cnc(c1)S(=O)(=O)N1CCc2ccccc21)N[*:1]
Cc1nc(CCNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)cc(=O)[nH]1 Cc1nc(cc(=O)[nH]1)[*:1] O=C([O-])c1ccnc(c1)-c1ccnc(n1)NCC[*:1]
Cc1nc(CCNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)cc(=O)[nH]1 O=C([O-])[*:1] Cc1nc(cc(=O)[nH]1)CCNc1nccc(n1)-c1cc(ccn1)[*:1]
Cc1c(C(=O)O[C@H](CC(C)C)c2ccccn2)cnn1C(C)C c1ccc(nc1)[*:1] Cc1c(cnn1C(C)C)C(=O)O[C@H](CC(C)C)[*:1]
Cc1c(C(=O)O[C@H](CC(C)C)c2ccccn2)cnn1C(C)C CC(C)C[*:1] Cc1c(cnn1C(C)C)C(=O)O[C@H](c1ccccn1)[*:1]
Cc1c(C(=O)O[C@H](CC(C)C)c2ccccn2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1C(C)C)C(=O)O[C@H](C[*:1])c1ccccn1
Cc1c(C(=O)O[C@H](CC(C)C)c2ccccn2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)O[C@H](CC(C)C)c1ccccn1
COCCC(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1 COC[*:1] CC(C)c1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)C[*:1])C(F)(F)F
COCCC(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1 CC(C)[*:1] COCCC(=O)N1CCC[C@H](C1)c1noc2nc(cc(c12)C(F)(F)F)[*:1]
COCCC(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1 COCC[*:1] CC(C)c1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)[*:1])C(F)(F)F
COCCC(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1 FC(F)(F)[*:1] COCCC(=O)N1CCC[C@H](C1)c1noc2nc(cc(c12)[*:1])C(C)C
CN(Cc1cc2c(cc1OC(F)F)OCO2)CN1CCCCC1=O O=C1CCCCN1[*:1] CN(Cc1cc2OCOc2cc1OC(F)F)C[*:1]
CN(Cc1cc2c(cc1OC(F)F)OCO2)CN1CCCCC1=O FC(F)[*:1] CN(Cc1cc2OCOc2cc1O[*:1])CN1CCCCC1=O
CN(Cc1cc2c(cc1OC(F)F)OCO2)CN1CCCCC1=O FC(F)O[*:1] CN(Cc1cc2OCOc2cc1[*:1])CN1CCCCC1=O
CN(Cc1cc2c(cc1OC(F)F)OCO2)CN1CCCCC1=O O=C1CCCCN1C[*:1] CN(Cc1cc2OCOc2cc1OC(F)F)[*:1]
COc1cccc(CO[C@@H](C)C(=O)N(C)c2cccc3ncccc23)c1 COc1cccc(c1)[*:1] C[C@H](OC[*:1])C(=O)N(C)c1cccc2ncccc12
CCOC(=O)c1c(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)sc(C)c1C CCOC(=O)[*:1] Cc1sc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c(c1C)[*:1]
Cc1cc(C)n2nc(NCc3ccc(OCc4ccccc4)cc3)nc2n1 c1ccc(cc1)CO[*:1] Cc1cc(C)n2nc(nc2n1)NCc1ccc(cc1)[*:1]
Cc1cc(C)n2nc(NCc3ccc(OCc4ccccc4)cc3)nc2n1 c1ccc(cc1)C[*:1] Cc1cc(C)n2nc(nc2n1)NCc1ccc(cc1)O[*:1]
Cc1cc(C)n2nc(NCc3ccc(OCc4ccccc4)cc3)nc2n1 c1ccc(cc1)[*:1] Cc1cc(C)n2nc(nc2n1)NCc1ccc(cc1)OC[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)C1 CS(=O)(=O)[*:1] O[C@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@H](C1)[*:1]
CCc1ccccc1-n1cnnc1SCC(=O)NC1CC[NH+](C)CC1 CCc1ccccc1[*:1] C[NH+]1CCC(CC1)NC(=O)CSc1nncn1[*:1]
c1ccc([C@@H](Cn2cncn2)[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)[C@@H](Cn1cncn1)[NH2+]Cc1ccn(n1)[*:1]
c1ccc([C@@H](Cn2cncn2)[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 c1ncn(C[*:1])n1 c1ccc(cc1)[C@@H]([NH2+]Cc1ccn(n1)-c1ccccc1)[*:1]
c1ccc([C@@H](Cn2cncn2)[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 c1ncn(n1)[*:1] c1ccc(cc1)[C@@H](C[*:1])[NH2+]Cc1ccn(n1)-c1ccccc1
c1ccc([C@@H](Cn2cncn2)[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-n1ccc(C[NH2+][C@H](Cn2cncn2)[*:1])n1
O=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccccc1Br)c1cc(ccc1Cl)[*:1]
O=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl Brc1ccccc1[*:1] O=C(N[*:1])c1cc(ccc1Cl)S(=O)(=O)N1CCCC1
Cn1cnnc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cn1cnnc1C[NH2+]Cc1ccc(cc1)[*:1]
Cn1cnnc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 Cn1cnnc1[*:1] FC(F)(F)c1ccc(cc1)C[NH2+]C[*:1]
COC(=O)c1cccc(NC(C)=O)c1 CC(=O)N[*:1] COC(=O)c1cccc(c1)[*:1]
COC(=O)c1cccc(NC(C)=O)c1 COC(=O)[*:1] CC(=O)Nc1cccc(c1)[*:1]
CCN(Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1)C[C@@H]1COc2ccccc2O1 c1coc(c1)[*:1] CCN(Cc1nc2scc(c2c(=O)[nH]1)[*:1])C[C@@H]1COc2ccccc2O1
COCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 COC[*:1] N#Cc1ccc(cc1)S(=O)(=O)[N-]c1cccc(c1)OC[*:1]
COCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 COCC[*:1] N#Cc1ccc(cc1)S(=O)(=O)[N-]c1cccc(c1)O[*:1]
COCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 COCCO[*:1] N#Cc1ccc(cc1)S(=O)(=O)[N-]c1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](Sc2nc3cc([N+](=O)[O-])ccc3s2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C1)Sc1nc2cc(ccc2s1)[N+](=O)[O-]
CC(C)(C)OC(=O)N1CC[C@H](Sc2nc3cc([N+](=O)[O-])ccc3s2)C1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)Sc1nc2cc(ccc2s1)[*:1]
CN(C)C(=O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1 CN(C)C(=O)[*:1] O=C(Nc1ccc(F)cc1F)c1cccc(c1)[*:1]
CSCCn1/c(=N/C(=O)c2ccco2)sc2cc3c(cc21)OCO3 c1coc(c1)[*:1] CSCCn1/c(=N/C(=O)[*:1])sc2cc3OCOc3cc21
CSCCn1/c(=N/C(=O)c2ccco2)sc2cc3c(cc21)OCO3 CSCC[*:1] O=C(/N=c1\sc2cc3OCOc3cc2n1[*:1])c1ccco1
CSCCn1/c(=N/C(=O)c2ccco2)sc2cc3c(cc21)OCO3 CSC[*:1] O=C(/N=c1\sc2cc3OCOc3cc2n1C[*:1])c1ccco1
CCC[NH2+][C@H]1CCC[C@@H]1c1cc(OC)cc(OC)c1 CCC[*:1] COc1cc(cc(c1)[C@H]1CCC[C@@H]1[NH2+][*:1])OC
Cc1ccc(C)c(NC(=O)CCCSCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CCCSC[*:1]
Cc1ccc(C)c(NC(=O)CCCSCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)NC(=O)CCCS[*:1]
O=C(NCCCOCC1CCOCC1)c1cccc(F)c1Cl C1CC(CCO1)[*:1] O=C(NCCCOC[*:1])c1cccc(F)c1Cl
O=C(NCCCOCC1CCOCC1)c1cccc(F)c1Cl C1CC(CCO1)C[*:1] O=C(NCCCO[*:1])c1cccc(F)c1Cl
C[C@H]1Oc2ccccc2N(CC(=O)N[C@@H]2CCN(C3CC3)C2=O)C1=O C1CC1[*:1] C[C@H]1Oc2ccccc2N(CC(=O)N[C@@H]2CCN(C2=O)[*:1])C1=O
CCn1cc[nH+]c1CCC[C@@H]([NH2+]C)C1CC1 C1CC1[*:1] CCn1cc[nH+]c1CCC[C@@H]([NH2+]C)[*:1]
O=C1C[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CN1CCc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1CC[*:1])C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
O=C1C[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CN1CCc1ccccc1 FC(F)(F)[*:1] O=C1C[C@H](CN1CCc1ccccc1)C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
O=C1C[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CN1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
O=C1C[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CN1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
O=C1C[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CN1CCc1ccccc1 O=[N+]([O-])[*:1] O=C1C[C@H](CN1CCc1ccccc1)C(=O)N1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
c1ccc(Sc2nc(N3CCCCC3)nc(N3CCCCC3)n2)nc1 C1CCN(CC1)[*:1] c1ccc(nc1)Sc1nc(nc(n1)[*:1])N1CCCCC1
c1ccc(Sc2nc(N3CCCCC3)nc(N3CCCCC3)n2)nc1 c1ccc(nc1)[*:1] C1CCN(CC1)c1nc(nc(n1)N1CCCCC1)S[*:1]
c1ccc(Sc2nc(N3CCCCC3)nc(N3CCCCC3)n2)nc1 c1ccc(nc1)S[*:1] C1CCN(CC1)c1nc(nc(n1)[*:1])N1CCCCC1
CCNC(=O)CS(=O)(=O)Cc1csc(-c2ccccc2OC)n1 CCNC(=O)C[*:1] COc1ccccc1-c1nc(cs1)CS(=O)(=O)[*:1]
CCNC(=O)CS(=O)(=O)Cc1csc(-c2ccccc2OC)n1 CCNC(=O)[*:1] COc1ccccc1-c1nc(cs1)CS(=O)(=O)C[*:1]
CC[C@H](CO)N1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 CC[C@H](CO)[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCN(CC1)[*:1]
Cc1cc(NC(=O)CCSc2ccccc2)n(-c2nc3c(F)cccc3s2)n1 c1ccc(cc1)SC[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1nc2c(F)cccc2s1
Cc1cc(NC(=O)CCSc2ccccc2)n(-c2nc3c(F)cccc3s2)n1 c1ccc(cc1)S[*:1] Cc1cc(NC(=O)CC[*:1])n(n1)-c1nc2c(F)cccc2s1
Cc1cc(NC(=O)CCSc2ccccc2)n(-c2nc3c(F)cccc3s2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CCS[*:1])n(n1)-c1nc2c(F)cccc2s1
Cc1cc(NC(=O)CCSc2ccccc2)n(-c2nc3c(F)cccc3s2)n1 c1ccc(cc1)SCC[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc2c(F)cccc2s1
C=C(C)[C@H]([NH2+]CCC)[C@@]1(C)CCCO1 C=C(C)[*:1] CCC[NH2+][C@H]([C@@]1(C)CCCO1)[*:1]
C=C(C)[C@H]([NH2+]CCC)[C@@]1(C)CCCO1 CCC[*:1] C=C(C)[C@H]([NH2+][*:1])[C@@]1(C)CCCO1
O=[N+]([O-])c1c(NC2CCC([NH+]3CCCCC3)CC2)nc2sccn12 O=[N+]([O-])[*:1] c1cn2c(c(nc2s1)NC1CCC(CC1)[NH+]1CCCCC1)[*:1]
C=CCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C=CCN(C(=O)c1ccc(Cl)c(Cl)c1)[*:1]
C=CCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 C=CC[*:1] O=C(c1ccc(Cl)c(Cl)c1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COc1cc(S(=O)(=O)C[C@H](C)CCl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])S(=O)(=O)C[C@H](C)CCl
C[C@H]1C[C@H](OCCC(N)=[NH2+])CC(C)(C)C1 NC(=[NH2+])[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)OCC[*:1]
C[C@H]1C[C@H](OCCC(N)=[NH2+])CC(C)(C)C1 NC(=[NH2+])CC[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)O[*:1]
C[C@H]1C[C@H](OCCC(N)=[NH2+])CC(C)(C)C1 NC(=[NH2+])C[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)OC[*:1]
CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 CCOC(=O)[*:1] Cc1ccc2c(cc(=O)oc2c1)C[NH+]1CCC(CC1)[*:1]
C[C@@H](C(N)=[NH2+])N1CCN(C(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] C[C@@H](C(N)=[NH2+])N1CCN(CC1)C(=O)N[*:1]
c1cc(-c2nc(C3CC3)no2)c2cc[nH]c2c1 C1CC1[*:1] c1cc(-c2nc(no2)[*:1])c2cc[nH]c2c1
CCn1c(SCC(=O)N[C@@H](C)C(C)C)nnc1-c1cccc(C)c1 CC(C)[C@H](C)[*:1] CCn1c(nnc1-c1cccc(C)c1)SCC(=O)N[*:1]
CCn1c(SCC(=O)N[C@@H](C)C(C)C)nnc1-c1cccc(C)c1 Cc1cccc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N[C@@H](C)C(C)C
CCn1c(SCC(=O)N[C@@H](C)C(C)C)nnc1-c1cccc(C)c1 CC(C)[C@H](C)NC(=O)[*:1] CCn1c(nnc1-c1cccc(C)c1)SC[*:1]
CCn1c(SCC(=O)N[C@@H](C)C(C)C)nnc1-c1cccc(C)c1 CC(C)[*:1] CCn1c(nnc1-c1cccc(C)c1)SCC(=O)N[C@@H](C)[*:1]
O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cc(Cl)c[nH]1 c1cn(cn1)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])c1cc(Cl)c[nH]1
O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cc(Cl)c[nH]1 Clc1c[nH]c(c1)[*:1] O=C(Nc1ccc(c(F)c1)-n1ccnc1)[*:1]
O=C(NC1CCCCC1)c1ccc(Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)o1 C1CCC(CC1)[*:1] O=C(N[*:1])c1ccc(Cn2nc(ccc2=O)N2CCN(CC2)c2ccc(F)cc2)o1
O=C(NC1CCCCC1)c1ccc(Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)o1 O=C(NC1CCCCC1)[*:1] O=c1ccc(nn1Cc1ccc(o1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(NC1CCCCC1)c1ccc(Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)o1 Fc1ccc(cc1)[*:1] O=C(NC1CCCCC1)c1ccc(Cn2nc(ccc2=O)N2CCN(CC2)[*:1])o1
CCOCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C CC(C)(C)[*:1] CCOCC(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCOCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C CCOC[*:1] CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)[*:1]
CCOCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C CCO[*:1] CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)C[*:1]
Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1Cc1cccs1 c1csc(c1)C[*:1] Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1[*:1]
Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1Cc1cccs1 c1csc(c1)[*:1] Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1C[*:1]
CNC(=O)CC[NH+](Cc1ccc(C(F)(F)F)cc1)C1CC1 CNC(=O)[*:1] FC(F)(F)c1ccc(cc1)C[NH+](CC[*:1])C1CC1
CNC(=O)CC[NH+](Cc1ccc(C(F)(F)F)cc1)C1CC1 CNC(=O)C[*:1] FC(F)(F)c1ccc(cc1)C[NH+](C[*:1])C1CC1
CNC(=O)CC[NH+](Cc1ccc(C(F)(F)F)cc1)C1CC1 FC(F)(F)[*:1] CNC(=O)CC[NH+](Cc1ccc(cc1)[*:1])C1CC1
CNC(=O)CC[NH+](Cc1ccc(C(F)(F)F)cc1)C1CC1 C1CC1[*:1] CNC(=O)CC[NH+](Cc1ccc(cc1)C(F)(F)F)[*:1]
CNC(=O)CC[NH+](Cc1ccc(C(F)(F)F)cc1)C1CC1 CNC(=O)CC[*:1] FC(F)(F)c1ccc(cc1)C[NH+](C1CC1)[*:1]
CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)Cn1c[nH+]c(C)c1C CS[C@H](CO)[*:1] Cc1[nH+]cn(C[C@@H](C)[NH2+][C@H](C)[*:1])c1C
C=CCN1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C=CCN1CCN(CC1)C(=O)[C@@H](C)O[*:1]
C=CCN1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 C=CC[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(CC1)[*:1]
C=CCCC[C@@H]([NH2+]C)[C@]1(C)CCCO1 C=CC[*:1] C[NH2+][C@H](CC[*:1])[C@]1(C)CCCO1
C=CCCC[C@@H]([NH2+]C)[C@]1(C)CCCO1 C=CCC[*:1] C[NH2+][C@H](C[*:1])[C@]1(C)CCCO1
NC(=O)c1ccc(CSCCOc2ccc(F)cc2Cl)cc1 NC(=O)[*:1] Fc1ccc(OCCSCc2ccc(cc2)[*:1])c(Cl)c1
CN(Cc1ccc(Cl)s1)C(=O)/C(C#N)=C/c1ccco1 Clc1ccc(s1)[*:1] CN(C[*:1])C(=O)/C(C#N)=C/c1ccco1
CN(Cc1ccc(Cl)s1)C(=O)/C(C#N)=C/c1ccco1 c1coc(c1)[*:1] CN(Cc1ccc(Cl)s1)C(=O)C(C#N)=C[*:1]
Cn1cc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c(C(C)(C)C)n1 CC(C)(C)OC(=O)[*:1] Cn1cc(C(=O)Nc2ccccc2C[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c(n1)[*:1]
Cn1cc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c(C(C)(C)C)n1 CC(C)(C)OC(=O)C[*:1] Cn1cc(C(=O)Nc2ccccc2[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2ccccc2CC(=O)O[*:1])c(n1)C(C)(C)C
CN(Cc1ncc[nH]1)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ncc[nH]1)C(=O)c1[nH]c2ccc(Cl)cc2c1[*:1]
CN(Cc1ncc[nH]1)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 c1c[nH]c(C[*:1])n1 CN(C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)[*:1]
CN(Cc1ncc[nH]1)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 c1c[nH]c(n1)[*:1] CN(C[*:1])C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
COC(C)(C)CNC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] COC(C)(C)CNC(=O)N[C@H]1CCC[C@H]1C[*:1]
COC(C)(C)CNC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] COC(C)(C)CNC(=O)N[C@H]1CCC[C@@H]1[*:1]
COC(C)(C)CNC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 COC(C)(C)[*:1] O=C(NC[*:1])N[C@H]1CCC[C@H]1Cc1ccccc1
COC(C)(C)CNC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 COC(C)(C)C[*:1] O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)N[*:1]
CC1(CNC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CCCC1 FC(F)[*:1] CC1(CCCC1)CNC(=O)Cc1ccc(cc1)S(=O)(=O)[*:1]
CC1(CNC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CCCC1 CC1(CCCC1)C[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)C(F)F)N[*:1]
CC1(CNC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CCCC1 O=S(=O)(C(F)F)[*:1] CC1(CCCC1)CNC(=O)Cc1ccc(cc1)[*:1]
CC1(CNC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CCCC1 CC1(CCCC1)[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)C(F)F)NC[*:1]
[NH3+]Cc1cccc(NC(=O)C[C@H]2CCCCO2)c1 C1CC[C@@H](OC1)[*:1] [NH3+]Cc1cccc(c1)NC(=O)C[*:1]
CCN(C(=O)c1cccc(C(F)(F)F)c1N)[C@H](C)COC COC[*:1] CCN(C(=O)c1cccc(c1N)C(F)(F)F)[C@H](C)[*:1]
CCN(C(=O)c1cccc(C(F)(F)F)c1N)[C@H](C)COC COC[C@@H](C)[*:1] CCN(C(=O)c1cccc(c1N)C(F)(F)F)[*:1]
CCN(C(=O)c1cccc(C(F)(F)F)c1N)[C@H](C)COC FC(F)(F)[*:1] CCN(C(=O)c1cccc(c1N)[*:1])[C@H](C)COC
Cc1ccccc1Cn1ccnc1CN(CC(C)C)C(=O)c1ccco1 CC(C)[*:1] Cc1ccccc1Cn1ccnc1CN(C[*:1])C(=O)c1ccco1
Cc1ccccc1Cn1ccnc1CN(CC(C)C)C(=O)c1ccco1 Cc1ccccc1[*:1] CC(C)CN(Cc1nccn1C[*:1])C(=O)c1ccco1
Cc1ccccc1Cn1ccnc1CN(CC(C)C)C(=O)c1ccco1 Cc1ccccc1C[*:1] CC(C)CN(Cc1nccn1[*:1])C(=O)c1ccco1
Cc1ccccc1Cn1ccnc1CN(CC(C)C)C(=O)c1ccco1 CC(C)C[*:1] Cc1ccccc1Cn1ccnc1CN(C(=O)c1ccco1)[*:1]
Cc1ccccc1Cn1ccnc1CN(CC(C)C)C(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccccc1Cn1ccnc1CN(CC(C)C)C(=O)[*:1]
C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1noc(C[*:1])n1
C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1noc(n1)[*:1]
C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1noc(Cc2ccccc2)n1 c1coc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1C[C@H]1[*:1])c1noc(Cc2ccccc2)n1
CC(=O)N1CCCc2cc(NC(=O)[C@@H](O)c3ccccc3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCCc2cc(ccc21)NC(=O)[C@@H](O)[*:1]
CC(=O)N1CCCc2cc(NC(=O)[C@@H](O)c3ccccc3)ccc21 O[C@@H](c1ccccc1)[*:1] CC(=O)N1CCCc2cc(ccc21)NC(=O)[*:1]
CC(C)C(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 CC(C)[*:1] O=C(N1CCC(O)(CC1)Cn1cnc2ccccc2c1=O)[*:1]
COC(=O)c1cccc(N2[C@H](C)C=C(/C=C(\C#N)C3[NH+]=c4ccccc4=[NH+]3)[C@H]2C)c1 COC(=O)c1cccc(c1)[*:1] C[C@@H]1C=C(/C=C(\C#N)C2[NH+]=c3ccccc3=[NH+]2)[C@@H](C)N1[*:1]
COC(=O)c1cccc(N2[C@H](C)C=C(/C=C(\C#N)C3[NH+]=c4ccccc4=[NH+]3)[C@H]2C)c1 COC(=O)[*:1] C[C@@H]1C=C(/C=C(\C#N)C2[NH+]=c3ccccc3=[NH+]2)[C@@H](C)N1c1cccc(c1)[*:1]
CSCC[C@@H](NC(=O)c1ccoc1C)c1nnc2ccccn12 CSCC[*:1] Cc1occc1C(=O)N[C@@H](c1nnc2ccccn12)[*:1]
CSCC[C@@H](NC(=O)c1ccoc1C)c1nnc2ccccn12 CSC[*:1] Cc1occc1C(=O)N[C@H](C[*:1])c1nnc2ccccn12
CSCC[C@@H](NC(=O)c1ccoc1C)c1nnc2ccccn12 Cc1occc1[*:1] CSCC[C@@H](NC(=O)[*:1])c1nnc2ccccn12
COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2ccc(F)cc2F)c1C COc1ccc(Cl)cc1[*:1] Cc1c(nnn1CC(=O)N[*:1])C(=O)Nc1ccc(F)cc1F
COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2ccc(F)cc2F)c1C Fc1ccc(c(F)c1)[*:1] COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)N[*:1])c1C
C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1ccc(N2CCOC2=O)cc1 CN(C)[*:1] C[C@@H]([NH2+][C@H](C)c1ccccc1[*:1])c1ccc(cc1)N1CCOC1=O
C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1ccc(cc1)[*:1]
O=C1C[C@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc2c(c1)OCO2 FC(F)(F)c1ccccc1[*:1] O=C1C[C@H](CNS(=O)(=O)[*:1])CN1c1ccc2OCOc2c1
O=C1C[C@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1C[C@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1[*:1]
O=C1C[C@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc2c(c1)OCO2 FC(F)(F)[*:1] O=C1C[C@H](CNS(=O)(=O)c2ccccc2[*:1])CN1c1ccc2OCOc2c1
CSCC[C@@H]([NH2+]Cc1ccc(C)cc1)c1nnc2ccccn12 Cc1ccc(cc1)[*:1] CSCC[C@@H]([NH2+]C[*:1])c1nnc2ccccn12
CSCC[C@@H]([NH2+]Cc1ccc(C)cc1)c1nnc2ccccn12 CSC[*:1] Cc1ccc(cc1)C[NH2+][C@H](C[*:1])c1nnc2ccccn12
CSCC[C@@H]([NH2+]Cc1ccc(C)cc1)c1nnc2ccccn12 CSCC[*:1] Cc1ccc(cc1)C[NH2+][C@@H](c1nnc2ccccn12)[*:1]
CCOc1ccccc1CN(C)C(=O)c1ccc2[nH]cnc2c1 CCO[*:1] CN(Cc1ccccc1[*:1])C(=O)c1ccc2[nH]cnc2c1
COC(=O)C1(NC(=O)[C@@H](C)Oc2ccc(C)cc2)CCCC1 COC(=O)[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)NC1(CCCC1)[*:1]
COC(=O)C1(NC(=O)[C@@H](C)Oc2ccc(C)cc2)CCCC1 Cc1ccc(cc1)[*:1] COC(=O)C1(CCCC1)NC(=O)[C@@H](C)O[*:1]
C[C@H](NC(=O)CCc1nc(C2CC2)no1)c1cccc(N2CCCC2)c1 C1CC1[*:1] C[C@H](NC(=O)CCc1nc(no1)[*:1])c1cccc(c1)N1CCCC1
C[C@H](NC(=O)CCc1nc(C2CC2)no1)c1cccc(N2CCCC2)c1 C1CC1c1noc(n1)[*:1] C[C@H](NC(=O)CC[*:1])c1cccc(c1)N1CCCC1
C[C@H](NC(=O)CCc1nc(C2CC2)no1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H](NC(=O)CCc1nc(no1)C1CC1)c1cccc(c1)[*:1]
Cc1ccc(C(N)=S)cc1 NC(=S)[*:1] Cc1ccc(cc1)[*:1]
CC(C)CC(=O)Nc1cccc(CNC2=NS(=O)(=O)c3ccccc32)c1 CC(C)[*:1] O=C(C[*:1])Nc1cccc(c1)CNC1=NS(=O)(=O)c2ccccc21
CC(C)CC(=O)Nc1cccc(CNC2=NS(=O)(=O)c3ccccc32)c1 CC(C)CC(=O)N[*:1] O=S1(=O)N=C(NCc2cccc(c2)[*:1])c2ccccc21
CC(C)CC(=O)Nc1cccc(CNC2=NS(=O)(=O)c3ccccc32)c1 CC(C)C[*:1] O=C(Nc1cccc(c1)CNC1=NS(=O)(=O)c2ccccc21)[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(CC1)[*:1]
CCNC(=O)CNC(=O)c1ccccc1SCC=C(C)C CC(C)=C[*:1] CCNC(=O)CNC(=O)c1ccccc1SC[*:1]
CCNC(=O)CNC(=O)c1ccccc1SCC=C(C)C CC(C)=CCS[*:1] CCNC(=O)CNC(=O)c1ccccc1[*:1]
CCNC(=O)CNC(=O)c1ccccc1SCC=C(C)C CCNC(=O)[*:1] CC(C)=CCSc1ccccc1C(=O)NC[*:1]
CCNC(=O)CNC(=O)c1ccccc1SCC=C(C)C CC(C)=CC[*:1] CCNC(=O)CNC(=O)c1ccccc1S[*:1]
CCNC(=O)CNC(=O)c1ccccc1SCC=C(C)C CCNC(=O)C[*:1] CC(C)=CCSc1ccccc1C(=O)N[*:1]
C[C@H](Nn1cccc1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nn1cccc1)C(c1ccccc1)[*:1]
Cc1ccc(-c2nnc(S(=O)(=O)CC(=O)NC3CCCC3)n2C)cc1 Cc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])S(=O)(=O)CC(=O)NC1CCCC1
Cc1ccc(-c2nnc(S(=O)(=O)CC(=O)NC3CCCC3)n2C)cc1 O=C(NC1CCCC1)[*:1] Cc1ccc(cc1)-c1nnc(n1C)S(=O)(=O)C[*:1]
Cc1ccc(-c2nnc(S(=O)(=O)CC(=O)NC3CCCC3)n2C)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)-c1nnc(n1C)S(=O)(=O)CC(=O)N[*:1]
CCC(C)(C)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 FC(F)O[*:1] CCC(C)(C)C(=O)Nc1nc(-c2ccc(cc2)[*:1])c(C)s1
CCC(C)(C)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 CCC(C)(C)C(=O)N[*:1] Cc1sc(nc1-c1ccc(cc1)OC(F)F)[*:1]
CCC(C)(C)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 CCC(C)(C)[*:1] Cc1sc(nc1-c1ccc(cc1)OC(F)F)NC(=O)[*:1]
CCC(C)(C)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 FC(F)[*:1] CCC(C)(C)C(=O)Nc1nc(-c2ccc(cc2)O[*:1])c(C)s1
C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cccc(-c3ccoc3)c2)no1 c1cc(co1)[*:1] C[NH+](C)Cc1nc(no1)C(C)(C)NC(=O)c1cccc(c1)[*:1]
C[C@H](OC(=O)c1cc(C#N)cn1C)c1ccccc1N(C)C CN(C)[*:1] C[C@H](OC(=O)c1cc(C#N)cn1C)c1ccccc1[*:1]
CN(Cc1[nH+]ccn1C)C(=O)C[C@@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(Cc1[nH+]ccn1C)C(=O)C[C@@H](O)[*:1]
Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)c2c(cnn2C)[*:1])c(C)c1
CC(C)(C)C(=O)N1CCC(C(=O)OCCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)OCC[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)OCCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)OC[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)OCCCc2ccccc2)CC1 CC(C)(C)[*:1] O=C(OCCCc1ccccc1)C1CCN(CC1)C(=O)[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)OCCCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)OCCC[*:1]
C[C@@H](O)C[C@@H]1CCCCN1C(=O)CCOc1ccccc1 C[C@@H](O)[*:1] O=C(CCOc1ccccc1)N1CCCC[C@H]1C[*:1]
C[C@@H](O)C[C@@H]1CCCCN1C(=O)CCOc1ccccc1 C[C@@H](O)C[*:1] O=C(CCOc1ccccc1)N1CCCC[C@H]1[*:1]
C[C@@H](O)C[C@@H]1CCCCN1C(=O)CCOc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](O)C[C@@H]1CCCCN1C(=O)CCO[*:1]
C[C@@H](O)C[C@@H]1CCCCN1C(=O)CCOc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](O)C[C@@H]1CCCCN1C(=O)CC[*:1]
CC[NH2+][C@@]1(C(N)=O)CCC[C@H](N(C)[C@@H]2CCS(=O)(=O)C2)C1 NC(=O)[*:1] CC[NH2+][C@]1(CCC[C@@H](C1)N(C)[C@@H]1CCS(=O)(=O)C1)[*:1]
CC[NH2+][C@@]1(C(N)=O)CCC[C@H](N(C)[C@@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@H](C1)[*:1] CC[NH2+][C@]1(CCC[C@@H](C1)N(C)[*:1])C(N)=O
CCOc1ccc(Br)c2c1C(C)(C)C[C@H]2Cl CCO[*:1] CC1(C)C[C@@H](Cl)c2c(Br)ccc(c21)[*:1]
Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)o2)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)o2)c(c1)OC[*:1]
Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)o2)c(OC[C@@H]2CCOC2)c1 Cc1ccc(o1)[*:1] Cc1ccc(CNC(=O)N[C@@H](C)[*:1])c(c1)OC[C@@H]1CCOC1
Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)o2)c(OC[C@@H]2CCOC2)c1 Cc1ccc(o1)[C@H](C)[*:1] Cc1ccc(CNC(=O)N[*:1])c(c1)OC[C@@H]1CCOC1
Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)o2)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)C[*:1] Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)o2)c(c1)O[*:1]
Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)o2)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)CO[*:1] Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)o2)c(c1)[*:1]
CC[C@@H](C)[C@](C)(O)[C@]1(C[NH3+])CCc2ccccc2C1 CC[C@@H](C)[*:1] C[C@](O)([C@]1(C[NH3+])CCc2ccccc2C1)[*:1]
CSc1ccc(-c2noc(Cn3c(=O)n(CCc4cccs4)c(=O)c4ccccc43)n2)cc1 CSc1ccc(cc1)[*:1] O=c1c2ccccc2n(Cc2nc(no2)[*:1])c(=O)n1CCc1cccs1
CSc1ccc(-c2noc(Cn3c(=O)n(CCc4cccs4)c(=O)c4ccccc43)n2)cc1 c1csc(c1)C[*:1] CSc1ccc(cc1)-c1noc(Cn2c(=O)n(C[*:1])c(=O)c3ccccc32)n1
CSc1ccc(-c2noc(Cn3c(=O)n(CCc4cccs4)c(=O)c4ccccc43)n2)cc1 c1csc(c1)[*:1] CSc1ccc(cc1)-c1noc(Cn2c(=O)n(CC[*:1])c(=O)c3ccccc32)n1
CSc1ccc(-c2noc(Cn3c(=O)n(CCc4cccs4)c(=O)c4ccccc43)n2)cc1 c1csc(c1)CC[*:1] CSc1ccc(cc1)-c1noc(Cn2c(=O)n(c(=O)c3ccccc32)[*:1])n1
Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c(C)s1 CS(=O)(=O)N[*:1] Cc1cc(c(C)s1)[C@@H](C)[NH2+]C[C@@H]1CCC[C@H]1[*:1]
Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H]([NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC(=O)c1cccnc1 CC(C)[*:1] C[C@H]1CC[C@@H]([C@H](C1)NC(=O)c1cccnc1)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC(=O)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC(=O)[*:1]
Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c([N+](=O)[O-])n1 Cc1ccc(c(n1)[N+](=O)[O-])[*:1] O=C(CO[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCC1
Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c([N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1ccc(OCC(=O)Nc2cccc(c2)S(=O)(=O)N2CCCCC2)c(n1)[*:1]
Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c([N+](=O)[O-])n1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(OCC(=O)Nc2cccc(c2)[*:1])c(n1)[N+](=O)[O-]
COc1ccc(-c2cnc(CSc3nnnn3-c3ccc(OC)cc3)o2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)-n1nnnc1SCc1ncc(o1)[*:1]
COc1ccc(-c2cnc(CSc3nnnn3-c3ccc(OC)cc3)o2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cnc(CSc2nnnn2[*:1])o1
CCOC(=O)c1cccc(NC(=O)N(C)[C@@H](C)CSC)c1 CCOC(=O)[*:1] CSC[C@H](C)N(C)C(=O)Nc1cccc(c1)[*:1]
CCOC(=O)c1cccc(NC(=O)N(C)[C@@H](C)CSC)c1 CSC[*:1] CCOC(=O)c1cccc(c1)NC(=O)N(C)[C@@H](C)[*:1]
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CN2CC(=O)NC2=O)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C1CN(CC(=O)N[C@@H]2CCCc3c2cnn3[*:1])C(=O)N1
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CN2CC(=O)NC2=O)cc1 O=C1CN(C(=O)N1)[*:1] CC(C)(C)c1ccc(cc1)-n1ncc2c1CCC[C@H]2NC(=O)C[*:1]
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CN2CC(=O)NC2=O)cc1 O=C1CN(C[*:1])C(=O)N1 CC(C)(C)c1ccc(cc1)-n1ncc2c1CCC[C@H]2NC(=O)[*:1]
CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CN2CC(=O)NC2=O)cc1 CC(C)(C)[*:1] O=C1CN(CC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(cc2)[*:1])C(=O)N1
Cc1nc(CC(=O)NNC(=O)c2cc(Br)c[nH]2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])NNC(=O)c1cc(Br)c[nH]1
Cc1nc(CC(=O)NNC(=O)c2cc(Br)c[nH]2)cs1 Brc1c[nH]c(c1)[*:1] Cc1nc(cs1)CC(=O)NNC(=O)[*:1]
CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@]12C(=O)N(C)c1ccccc12 CCC[*:1] Cc1ccc2oc3C(=O)N([C@@]4(C(=O)N(C)c5ccccc54)c3c(=O)c2c1)[*:1]
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#C/C(=C\c1ccc(F)cc1)C(=O)N[*:1]
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CC(=C[*:1])C(=O)Nc1ccc(F)cc1
COc1cccc([C@H](CNS(=O)(=O)c2ccccc2)N2CCOCC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@H](CNS(=O)(=O)[*:1])N1CCOCC1
COc1cccc([C@H](CNS(=O)(=O)c2ccccc2)N2CCOCC2)c1 COc1cccc(c1)[*:1] O=S(=O)(NC[C@H](N1CCOCC1)[*:1])c1ccccc1
COc1cccc([C@H](CNS(=O)(=O)c2ccccc2)N2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)[C@H](CNS(=O)(=O)c1ccccc1)[*:1]
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[NH+](C)CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[*:1]
C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@@H]1[*:1]
CCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCc1[nH]nc(-c2ccc(OC)c(c2)OC)c1NC(=O)[*:1]
CCOC(=O)[C@H](N)C(C(F)(F)F)C(F)(F)F CCOC(=O)[*:1] N[C@H](C(C(F)(F)F)C(F)(F)F)[*:1]
CCOC(=O)[C@H](N)C(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@H](N)C(C(F)(F)F)[*:1]
CC/[NH+]=C(\NCc1nnc2n1CCCCC2)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC/[NH+]=C(\NCc1nnc2CCCCCn21)N[*:1]
CC/[NH+]=C(\NCc1nnc2n1CCCCC2)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC/[NH+]=C(\NCc1nnc2CCCCCn21)NC[*:1]
CCN(C(=O)Cc1ccc(NC(=O)C2CC2)cc1)[C@@H](C)c1ccc(F)cc1 C1CC1[*:1] CCN(C(=O)Cc1ccc(cc1)NC(=O)[*:1])[C@@H](C)c1ccc(F)cc1
CCN(C(=O)Cc1ccc(NC(=O)C2CC2)cc1)[C@@H](C)c1ccc(F)cc1 O=C(N[*:1])C1CC1 CCN(C(=O)Cc1ccc(cc1)[*:1])[C@@H](C)c1ccc(F)cc1
CCN(C(=O)Cc1ccc(NC(=O)C2CC2)cc1)[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)Cc1ccc(cc1)NC(=O)C1CC1)[C@@H](C)[*:1]
CCN(C(=O)Cc1ccc(NC(=O)C2CC2)cc1)[C@@H](C)c1ccc(F)cc1 C[C@@H](c1ccc(F)cc1)[*:1] CCN(C(=O)Cc1ccc(cc1)NC(=O)C1CC1)[*:1]
CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] CN(C(=O)CSc1nnc(n1C[C@H]1CCCO1)[*:1])[C@@H]1CCS(=O)(=O)C1
CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 C1CO[C@H](C1)C[*:1] CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1[*:1])[C@@H]1CCS(=O)(=O)C1
CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 C1CO[C@H](C1)[*:1] CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)Nc2ccccc2Cl)c1 Cc1cccc(c1)C[*:1] O=C(Nc1ccccc1Cl)N(Cc1cc2cc3OCOc3cc2[nH]c1=O)C[*:1]
Cc1cccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)Nc2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1cccc(c1)CCN(Cc1cc2cc3OCOc3cc2[nH]c1=O)C(=O)N[*:1]
Cc1cccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)Nc2ccccc2Cl)c1 Cc1cccc(c1)CC[*:1] O=C(Nc1ccccc1Cl)N(Cc1cc2cc3OCOc3cc2[nH]c1=O)[*:1]
Cc1cccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)Nc2ccccc2Cl)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1Cl)N(CC[*:1])Cc1cc2cc3OCOc3cc2[nH]c1=O
C=CCSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C=CCSc1nc2ccccc2c(=O)n1-c1ccc(cc1)[*:1]
C=CCSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 C=CCS[*:1] O=c1c2ccccc2nc(n1-c1ccc(cc1)[N+](=O)[O-])[*:1]
C=CCSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 C=CC[*:1] O=c1c2ccccc2nc(S[*:1])n1-c1ccc(cc1)[N+](=O)[O-]
CNc1cc([C@H]2CCCN(C(=O)CC(C)(C)C)C2)nc(-c2cccnc2)n1 CC(C)(C)[*:1] CNc1cc(nc(n1)-c1cccnc1)[C@H]1CCCN(C1)C(=O)C[*:1]
CNc1cc([C@H]2CCCN(C(=O)CC(C)(C)C)C2)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] CNc1cc(nc(n1)[*:1])[C@H]1CCCN(C1)C(=O)CC(C)(C)C
CNc1cc([C@H]2CCCN(C(=O)CC(C)(C)C)C2)nc(-c2cccnc2)n1 CC(C)(C)C[*:1] CNc1cc(nc(n1)-c1cccnc1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccccc1CC(=O)N[C@@H](Cc1ccccc1)C1CC1 Cc1ccccc1[*:1] O=C(C[*:1])N[C@@H](Cc1ccccc1)C1CC1
Cc1ccccc1CC(=O)N[C@@H](Cc1ccccc1)C1CC1 C1CC1[*:1] Cc1ccccc1CC(=O)N[C@@H](Cc1ccccc1)[*:1]
Cc1ccccc1CC(=O)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] Cc1ccccc1CC(=O)N[C@@H](C1CC1)[*:1]
Cc1ccccc1CC(=O)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] Cc1ccccc1CC(=O)N[C@@H](C[*:1])C1CC1
O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1ccccc1F Clc1ccc(cc1)[*:1] O=C(CSc1ccc(nn1)[*:1])Nc1ccccc1F
O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CSc1ccc(nn1)-c1ccc(Cl)cc1)N[*:1]
CC(C)c1nn(C)c2sc(C(=O)NCCn3cnnc3C(C)C)cc12 CC(C)c1nncn1[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)NCC[*:1]
CC(C)c1nn(C)c2sc(C(=O)NCCn3cnnc3C(C)C)cc12 CC(C)[*:1] CC(C)c1nncn1CCNC(=O)c1cc2c(nn(C)c2s1)[*:1]
CC(C)c1nn(C)c2sc(C(=O)NCCn3cnnc3C(C)C)cc12 CC(C)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)NCCn1cnnc1[*:1]
Cc1cc(C(=O)N(C)C(C)C)c(C)n1C1CCCCC1 CC(C)[*:1] Cc1cc(C(=O)N(C)[*:1])c(C)n1C1CCCCC1
Cc1cc(C(=O)N(C)C(C)C)c(C)n1C1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(C(=O)N(C)C(C)C)c(C)n1[*:1]
Cc1csc([C@@H](C)NC(=O)c2cc(C)n(C(C)C)c2C)n1 CC(C)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)c1cc(C)n(c1C)[*:1]
Cc1csc([C@@H](C)NC(=O)c2cc(C)n(C(C)C)c2C)n1 Cc1csc(n1)[*:1] Cc1cc(C(=O)N[C@H](C)[*:1])c(C)n1C(C)C
O=C1CCC[C@H]1CCOc1ccc(C(F)(F)F)cc1 O=C1CCC[C@@H]1[*:1] FC(F)(F)c1ccc(cc1)OCC[*:1]
O=C1CCC[C@H]1CCOc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C1CCC[C@H]1CCOc1ccc(cc1)[*:1]
COC(=O)CCCNC(=O)N[C@H](C)c1cc(C)sc1C COC(=O)CC[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)NC[*:1]
COC(=O)CCCNC(=O)N[C@H](C)c1cc(C)sc1C COC(=O)C[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)NCC[*:1]
COC(=O)CCCNC(=O)N[C@H](C)c1cc(C)sc1C COC(=O)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)NCCC[*:1]
CC1=C(CCN(C)C(=O)[C@@H]2C=C(COc3ccc4sc(C)nc4c3)ON2)[C@H](C)N=N1 Cc1nc2cc(ccc2s1)[*:1] CC1N=N[C@@H](C)C=1CCN(C)C(=O)[C@@H]1C=C(CO[*:1])ON1
COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] COc1ccc(NC(=O)c2ccc(cc2)NS(=O)(=O)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(Cl)cc2)c(c1)[*:1]
Cc1cccn2c(=O)cc(C[NH+](Cc3ccc(F)cc3)C3CC3)nc12 Fc1ccc(cc1)C[*:1] Cc1cccn2c(=O)cc(C[NH+](C3CC3)[*:1])nc12
Cc1cccn2c(=O)cc(C[NH+](Cc3ccc(F)cc3)C3CC3)nc12 Fc1ccc(cc1)[*:1] Cc1cccn2c(=O)cc(C[NH+](C[*:1])C3CC3)nc12
O=C([O-])c1cc([N+](=O)[O-])c(F)c(C(F)(F)F)c1 O=C([O-])[*:1] O=[N+]([O-])c1cc(cc(c1F)C(F)(F)F)[*:1]
O=C([O-])c1cc([N+](=O)[O-])c(F)c(C(F)(F)F)c1 O=[N+]([O-])[*:1] O=C([O-])c1cc(c(F)c(c1)[*:1])C(F)(F)F
O=C([O-])c1cc([N+](=O)[O-])c(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C([O-])c1cc(c(F)c(c1)[*:1])[N+](=O)[O-]
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2Cc2c(CO)cnc(C)c2O3)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1ncc(CO)c2Cc3c(nc(nc3SC[*:1])-c3ccccc3)Oc12
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2Cc2c(CO)cnc(C)c2O3)cc1 Cc1ccc(cc1)[*:1] Cc1ncc(CO)c2Cc3c(nc(nc3SCC(=O)N[*:1])-c3ccccc3)Oc12
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2Cc2c(CO)cnc(C)c2O3)cc1 Cc1ccc(cc1)NC(=O)C[*:1] Cc1ncc(CO)c2Cc3c(nc(nc3S[*:1])-c3ccccc3)Oc12
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2Cc2c(CO)cnc(C)c2O3)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CSc1nc(nc2Oc3c(C)ncc(CO)c3Cc21)[*:1]
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)C[C@@H](C)C(=O)NC CNC(=O)[C@H](C)[*:1] CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)C[*:1]
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)C[C@@H](C)C(=O)NC CC[C@H](C)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)[C@@H](NC(=O)N1CCCC1)[*:1]
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)C[C@@H](C)C(=O)NC CNC(=O)[C@H](C)C[*:1] CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)[*:1]
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)C[C@@H](C)C(=O)NC O=C(N[*:1])N1CCCC1 CC[C@H](C)[C@H](C(=O)N(C)C[C@@H](C)C(=O)NC)[*:1]
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)C[C@@H](C)C(=O)NC CNC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)C[C@@H](C)[*:1]
COc1cccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c1OC c1ccc(cc1)[*:1] COc1cccc(/C=C(/C(=O)[*:1])c2nc3ccccc3s2)c1OC
COc1cccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c1OC c1ccc2sc(nc2c1)[*:1] COc1cccc(C=C(C(=O)c2ccccc2)[*:1])c1OC
COc1cccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c1OC O=C(c1ccccc1)[*:1] COc1cccc(/C=C(\c2nc3ccccc3s2)[*:1])c1OC
CCC(=O)NCCn1ncc2c(=O)n(Cc3ccccc3C)cnc21 Cc1ccccc1[*:1] CCC(=O)NCCn1ncc2c(=O)n(cnc21)C[*:1]
CCC(=O)NCCn1ncc2c(=O)n(Cc3ccccc3C)cnc21 CCC(=O)N[*:1] Cc1ccccc1Cn1cnc2c(cnn2CC[*:1])c1=O
CCC(=O)NCCn1ncc2c(=O)n(Cc3ccccc3C)cnc21 CCC(=O)NCC[*:1] Cc1ccccc1Cn1cnc2c(cnn2[*:1])c1=O
CCC(=O)NCCn1ncc2c(=O)n(Cc3ccccc3C)cnc21 Cc1ccccc1C[*:1] CCC(=O)NCCn1ncc2c(=O)n(cnc21)[*:1]
CCC(=O)NCCn1ncc2c(=O)n(Cc3ccccc3C)cnc21 CCC(=O)NC[*:1] Cc1ccccc1Cn1cnc2c(cnn2C[*:1])c1=O
CC(C)[NH+](CCCNC(=O)[C@H]1CC=CCC1)C(C)C CC(C)[*:1] CC(C)[NH+](CCCNC(=O)[C@H]1CC=CCC1)[*:1]
COc1ccc(CC[C@@H](C)NC(=O)NCc2cccc(Cl)c2)cc1 Clc1cccc(c1)C[*:1] COc1ccc(cc1)CC[C@@H](C)NC(=O)N[*:1]
COc1ccc(CC[C@@H](C)NC(=O)NCc2cccc(Cl)c2)cc1 COc1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)NCc1cccc(Cl)c1
COc1ccc(CC[C@@H](C)NC(=O)NCc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)CC[C@@H](C)NC(=O)NC[*:1]
CC(C)[C@H](NC(=O)NCCc1ccsc1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(NCCc1ccsc1)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)[C@H](NC(=O)NCCc1ccsc1)c1nc2ccccc2[nH]1 c1cc(cs1)CC[*:1] CC(C)[C@H](NC(=O)N[*:1])c1nc2ccccc2[nH]1
CC(C)[C@H](NC(=O)NCCc1ccsc1)c1nc2ccccc2[nH]1 c1cc(cs1)C[*:1] CC(C)[C@H](NC(=O)NC[*:1])c1nc2ccccc2[nH]1
CC(C)[C@H](NC(=O)NCCc1ccsc1)c1nc2ccccc2[nH]1 c1cc(cs1)[*:1] CC(C)[C@H](NC(=O)NCC[*:1])c1nc2ccccc2[nH]1
CC(C)C[C@H](Nc1cnn(C)c(=O)c1Cl)C(=O)Nc1nccs1 CC(C)[*:1] Cn1ncc(N[C@@H](C[*:1])C(=O)Nc2nccs2)c(Cl)c1=O
CC(C)C[C@H](Nc1cnn(C)c(=O)c1Cl)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)C[C@H](Nc1cnn(C)c(=O)c1Cl)C(=O)N[*:1]
CC(C)C[C@H](Nc1cnn(C)c(=O)c1Cl)C(=O)Nc1nccs1 CC(C)C[*:1] Cn1ncc(N[C@H](C(=O)Nc2nccs2)[*:1])c(Cl)c1=O
Cc1ccc(CC(=O)N2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(N1CCC(CC1)c1nnc(o1)-c1nccc2ccccc12)[*:1]
Cc1ccc(CC(=O)N2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)cc1 c1ccc2c(nccc2c1)[*:1] Cc1ccc(cc1)CC(=O)N1CCC(CC1)c1nnc(o1)[*:1]
Cc1ccc(CC(=O)N2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC(CC1)c1nnc(o1)-c1nccc2ccccc12
CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(F)cc4)ccc3n2)CC1 O=C([O-])[*:1] CCC[NH+]1CCN(CC1)c1cc(c2cc(ccc2n1)NC(=O)c1ccc(F)cc1)[*:1]
CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(F)cc4)ccc3n2)CC1 Fc1ccc(cc1)[*:1] CCC[NH+]1CCN(CC1)c1cc(C(=O)[O-])c2cc(ccc2n1)NC(=O)[*:1]
CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(F)cc4)ccc3n2)CC1 O=C(N[*:1])c1ccc(F)cc1 CCC[NH+]1CCN(CC1)c1cc(C(=O)[O-])c2cc(ccc2n1)[*:1]
O=C(CN[C@@]1(CO)CCc2ccccc21)NOCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN[C@@]1(CO)CCc2ccccc21)NOC[*:1]
O=C(CN[C@@]1(CO)CCc2ccccc21)NOCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN[C@@]1(CO)CCc2ccccc21)NO[*:1]
CCc1ccc(C[C@@]2(c3ccc(Br)cc3)NC(N)=NC2=O)cc1 Brc1ccc(cc1)[*:1] CCc1ccc(cc1)C[C@]1(NC(N)=NC1=O)[*:1]
Cc1cccc(OC(=O)/C=C/c2ccc3c(c2)OCO3)c1 Cc1cccc(c1)[*:1] O=C(/C=C/c1ccc2OCOc2c1)O[*:1]
Cc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)[C@H]3COc4ccccc4O3)nc12 C1CN(CCO1)[*:1] Cc1ccc(C)c2sc(nc12)N(CC[*:1])C(=O)[C@H]1COc2ccccc2O1
Cc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)[C@H]3COc4ccccc4O3)nc12 C1CN(CCO1)C[*:1] Cc1ccc(C)c2sc(nc12)N(C[*:1])C(=O)[C@H]1COc2ccccc2O1
Cc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)[C@H]3COc4ccccc4O3)nc12 C1CN(CCO1)CC[*:1] Cc1ccc(C)c2sc(nc12)N(C(=O)[C@H]1COc2ccccc2O1)[*:1]
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H](Sc2nccn2C)C1 Cn1ccnc1[*:1] C[NH2+][C@@]1(CCC[C@H](C1)S[*:1])C(=O)[O-]
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H](Sc2nccn2C)C1 O=C([O-])[*:1] C[NH2+][C@@]1(CCC[C@H](C1)Sc1nccn1C)[*:1]
CCC[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1COC CCC[*:1] COCc1ccccc1[C@H]1OCCC[C@@H]1C[NH2+][*:1]
CCC[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1COC COC[*:1] CCC[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cccc3[nH]ccc23)CC1 CC[C@H](C)NC(=O)C[*:1] O=C(c1cccc2[nH]ccc12)N1CCN(CC1)[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cccc3[nH]ccc23)CC1 CC[C@H](C)NC(=O)[*:1] O=C(c1cccc2[nH]ccc12)N1CCN(CC1)C[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cccc3[nH]ccc23)CC1 CC[C@H](C)[*:1] O=C(CN1CCN(CC1)C(=O)c1cccc2[nH]ccc12)N[*:1]
O=C(Nc1ccc2c(c1)OCO2)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)[C@H](O)[*:1]
O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)n1c(=O)[nH]c2ccccc21)N1CCC(CC1)C[*:1]
O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(C[NH+]1CCC(CC1)n1c(=O)[nH]c2ccccc21)N1CCC(CC1)[*:1]
O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCC(Cc2ccccc2)CC1 O=c1[nH]c2ccccc2n1[*:1] O=C(C[NH+]1CCC(CC1)[*:1])N1CCC(CC1)Cc1ccccc1
C=CCNC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] C=CCNC(=O)c1cccc(c1)[*:1]
C=CCNC(=O)c1cccc(-c2ccoc2)c1 C=CC[*:1] O=C(N[*:1])c1cccc(c1)-c1ccoc1
CN(Cc1nccs1)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F c1csc(n1)[*:1] CN(C[*:1])C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F
CN(Cc1nccs1)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] CN(Cc1nccs1)C(=O)[C@H]1C[C@H]1c1ccccc1[*:1]
CN(Cc1nccs1)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)[*:1] CN(Cc1nccs1)C(=O)[C@H]1C[C@H]1c1ccccc1O[*:1]
CN(Cc1nccs1)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F c1csc(C[*:1])n1 CN(C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)[*:1]
O=C(C=C1CCSCC1)N[C@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] O=C(C=C1CCSCC1)N[C@H]1CCC[C@H](C1)[*:1]
CCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3)c2c1C CCOC(=O)[*:1] Cc1nc(c2c(C)c(sc2n1)[*:1])N(C)Cc1ccccc1
CCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3)c2c1C c1ccc(cc1)[*:1] CCOC(=O)c1sc2nc(C)nc(c2c1C)N(C)C[*:1]
CCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3)c2c1C c1ccc(cc1)C[*:1] CCOC(=O)c1sc2nc(C)nc(c2c1C)N(C)[*:1]
COCc1cccc(NC(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 CN(C)C(=O)C[*:1] COCc1cccc(c1)NC(=O)Nc1cnn(c1)[*:1]
COCc1cccc(NC(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 COC[*:1] CN(C)C(=O)Cn1cc(cn1)NC(=O)Nc1cccc(c1)[*:1]
COCc1cccc(NC(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 CN(C)C(=O)[*:1] COCc1cccc(c1)NC(=O)Nc1cnn(c1)C[*:1]
CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)[*:1]
CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)NCC(C)(C)CCO)c1 OCC[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)NCC(C)(C)[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)NCC(C)(C)CCO)c1 CC(C)(CCO)C[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)N[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)NCC(C)(C)CCO)c1 CC(C)(CCO)[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)NC[*:1]
Cc1cccn2nc(NC[C@H]3CCCOC3)nc12 C1COC[C@H](C1)[*:1] Cc1cccn2nc(nc12)NC[*:1]
O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(NC[C@@](O)(C(F)(F)F)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 FC(F)(F)[*:1] O=C(NC[C@@](O)(c1ccccc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(cc1)[*:1]
COc1ccc(N2C(=S)CO[C@@H]2c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=S)CO[C@H]1[*:1]
Nc1c(Cl)cccc1C(=O)OCCOc1ccccc1F Fc1ccccc1[*:1] Nc1c(Cl)cccc1C(=O)OCCO[*:1]
Cc1ccccc1[C@@H]1CN(C(=O)c2scnc2C2CC2)[C@H](C)CO1 c1nc(c(s1)[*:1])C1CC1 Cc1ccccc1[C@@H]1CN(C(=O)[*:1])[C@H](C)CO1
Cc1ccccc1[C@@H]1CN(C(=O)c2scnc2C2CC2)[C@H](C)CO1 C1CC1[*:1] Cc1ccccc1[C@@H]1CN(C(=O)c2scnc2[*:1])[C@H](C)CO1
Cc1ccccc1[C@@H]1CN(C(=O)c2scnc2C2CC2)[C@H](C)CO1 Cc1ccccc1[*:1] C[C@@H]1CO[C@@H](CN1C(=O)c1scnc1C1CC1)[*:1]
COC1CCC(N(C)S(=O)(=O)c2ccc(C)c(N(C)C)c2)CC1 CN(C)[*:1] COC1CCC(CC1)N(C)S(=O)(=O)c1ccc(C)c(c1)[*:1]
Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)c(C)c1C Cc1nn(C[*:1])c(C)c1C C[C@@H](C(=O)N1CCC[C@H]1c1ncc2C[NH2+]CCc2n1)[*:1]
Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)c(C)c1C Cc1nn(c(C)c1C)[*:1] C[C@H](C[*:1])C(=O)N1CCC[C@H]1c1ncc2C[NH2+]CCc2n1
CC[C@H](c1nc(C[NH+](C)C)no1)[C@@H](C)O C[C@@H](O)[*:1] CC[C@H](c1nc(C[NH+](C)C)no1)[*:1]
C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCN(CC1)C(=O)[*:1]
Cc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)o1 Cc1ccc(C[*:1])o1 C[NH+]1CCN(CC1)Cc1ccc(cc1)C[NH2+][*:1]
Cc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)o1 Cc1ccc(o1)[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)C[NH2+]C[*:1]
CCCC[C@H](COC)NC(=O)Nc1ccc(F)cc1Br CCC[*:1] COC[C@@H](C[*:1])NC(=O)Nc1ccc(F)cc1Br
CCCC[C@H](COC)NC(=O)Nc1ccc(F)cc1Br CCCC[*:1] COC[C@H](NC(=O)Nc1ccc(F)cc1Br)[*:1]
CCCC[C@H](COC)NC(=O)Nc1ccc(F)cc1Br COC[*:1] CCCC[C@H](NC(=O)Nc1ccc(F)cc1Br)[*:1]
Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)cc1 Cc1ccc(cc1)[*:1] O=C1CC(=O)Nc2cc(ccc2N1)S(=O)(=O)NC[*:1]
Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)CC(=O)N3)cc1 Cc1ccc(cc1)C[*:1] O=C1CC(=O)Nc2cc(ccc2N1)S(=O)(=O)N[*:1]
COC(C)(C)c1noc([C@H](C)Sc2ccnc3cc(Cl)ccc23)n1 COC(C)(C)[*:1] C[C@H](Sc1ccnc2cc(Cl)ccc12)c1nc(no1)[*:1]
O=C(NCc1ccc(-n2cccn2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 c1cnn(c1)[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
O=C(NCc1ccc(-n2cccn2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(NCc1ccc(cc1)-n1cccn1)N1CCC[C@@H]1[*:1]
Cc1nc([O-])c2c(n1)C[NH+](Cc1cccn1C)CC2 Cn1cccc1[*:1] Cc1nc([O-])c2CC[NH+](Cc2n1)C[*:1]
Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 O=[N+]([O-])[*:1] Cc1c(Cl)c(nn1CCCC(=O)Nc1sc2C[C@@H](C)CCc2c1C#N)[*:1]
FC(F)Oc1ccc(N2CCCC3(C2)OCCO3)nc1 FC(F)O[*:1] c1cc(ncc1[*:1])N1CCCC2(C1)OCCO2
FC(F)Oc1ccc(N2CCCC3(C2)OCCO3)nc1 FC(F)[*:1] c1cc(ncc1O[*:1])N1CCCC2(C1)OCCO2
C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 c1ncn(n1)[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H]1CCCN(C1)c1ccccc1F
C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 c1ncn(C[*:1])n1 C[C@@H](NC(=O)N[C@@H]1CCCN(C1)c1ccccc1F)[*:1]
C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 Fc1ccccc1[*:1] C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1CCCN(C1)[*:1]
CC1(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)Cc2ccccc2C1 c1ccc(cc1)[*:1] CC1(Cc2ccccc2C1)NC(=O)C1CCN(CC1)C(=O)[*:1]
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)[C@H]1COc2ccccc2O1 O=[N+]([O-])c1ccc(Cl)c(c1)[*:1] O=C(N/N=C\c1ccc(o1)[*:1])[C@H]1COc2ccccc2O1
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)[C@H]1COc2ccccc2O1 O=[N+]([O-])[*:1] O=C(N/N=C\c1ccc(o1)-c1cc(ccc1Cl)[*:1])[C@H]1COc2ccccc2O1
CCOc1ccc(N2C[C@@H](NC(=O)Cc3ccc(F)cc3)CC2=O)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C[C@H](CC1=O)NC(=O)C[*:1]
CCOc1ccc(N2C[C@@H](NC(=O)Cc3ccc(F)cc3)CC2=O)cc1 Fc1ccc(cc1)C[*:1] CCOc1ccc(cc1)N1C[C@H](CC1=O)NC(=O)[*:1]
CCOc1ccc(N2C[C@@H](NC(=O)Cc3ccc(F)cc3)CC2=O)cc1 CCO[*:1] O=C(Cc1ccc(F)cc1)N[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
Cc1nccn1Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 Cc1nccn1[*:1] O=S(=O)([N-]c1ccc(cc1)C[*:1])c1ccccc1Cl
Cc1nccn1Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 Cc1nccn1C[*:1] O=S(=O)([N-]c1ccc(cc1)[*:1])c1ccccc1Cl
Cc1nccn1Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] Cc1nccn1Cc1ccc(cc1)[N-]S(=O)(=O)[*:1]
CCC(=O)N1CCc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2C1 c1ccc(cc1)[*:1] CCC(=O)N1CCc2ccc(cc2C1)NC(=O)C(c1ccccc1)[*:1]
Cc1ccc(Cn2cc(Br)c(NC(=O)c3cnccn3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nn(cc1Br)C[*:1])c1cnccn1
Cc1ccc(Cn2cc(Br)c(NC(=O)c3cnccn3)n2)cc1 c1cnc(cn1)[*:1] Cc1ccc(cc1)Cn1cc(Br)c(n1)NC(=O)[*:1]
Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@@H](c1cc(F)cc(F)c1)C3 Fc1cc(F)cc(c1)[*:1] Cc1nn2c3C[C@H](CC(=O)c3cnc2c1-c1ccccc1)[*:1]
Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@@H](c1cc(F)cc(F)c1)C3 c1ccc(cc1)[*:1] Cc1nn2c3C[C@@H](CC(=O)c3cnc2c1[*:1])c1cc(F)cc(F)c1
COc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)Nc1ccccc1F
COc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)cc1Cl Fc1ccccc1[*:1] COc1ccc(cc1Cl)NC(=O)c1cc(ccc1C)S(=O)(=O)N[*:1]
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)[C@H]1Cc2ccccc2O1 FC(F)[*:1] O=C(NC[C@@H](O)c1cccc(c1)O[*:1])[C@H]1Cc2ccccc2O1
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)[C@H]1Cc2ccccc2O1 FC(F)O[*:1] O=C(NC[C@@H](O)c1cccc(c1)[*:1])[C@H]1Cc2ccccc2O1
Cc1nc2ccccc2n1CCC(=O)NN NNC(=O)C[*:1] Cc1nc2ccccc2n1C[*:1]
Cc1nc2ccccc2n1CCC(=O)NN NNC(=O)[*:1] Cc1nc2ccccc2n1CC[*:1]
O=C(Nc1cccc(CNc2ncccn2)c1)c1ccc(F)cc1 c1cnc(nc1)NC[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(F)cc1
O=C(Nc1cccc(CNc2ncccn2)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)CNc1ncccn1)[*:1]
O=C(Nc1cccc(CNc2ncccn2)c1)c1ccc(F)cc1 c1cnc(nc1)[*:1] O=C(Nc1cccc(c1)CN[*:1])c1ccc(F)cc1
O=C(Nc1cccc(CNc2ncccn2)c1)c1ccc(F)cc1 c1cnc(nc1)N[*:1] O=C(Nc1cccc(c1)C[*:1])c1ccc(F)cc1
COC[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 COC[C@H](C)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N[*:1]
COC[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] COC[C@H](C)NC(=O)c1ccc(cc1)[*:1]
COC[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 COC[*:1] C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)[*:1]
CC(=O)c1ccccc1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 CC(=O)[*:1] O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1[*:1]
O=S(=O)(Oc1ccc(F)cc1Br)c1cccs1 c1csc(c1)[*:1] O=S(=O)(Oc1ccc(F)cc1Br)[*:1]
COc1ccsc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C COc1ccsc1[*:1] Cc1cc(ccc1[N-]S(=O)(=O)[*:1])[N+](=O)[O-]
COc1ccsc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] COc1ccsc1S(=O)(=O)[N-]c1ccc(cc1C)[*:1]
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCC[C@@H]1c1ccc2OCCCOc2c1)O[*:1]
CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 CC(C)(C)OC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@@H]1c1ccc2OCCCOc2c1
CC(C)(C)c1nccc(-n2ccc(=O)c([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] CC(C)(C)c1nccc(n1)-n1ccc(=O)c(c1)[*:1]
CC(C)(C)c1nccc(-n2ccc(=O)c([N+](=O)[O-])c2)n1 CC(C)(C)[*:1] O=c1ccn(cc1[N+](=O)[O-])-c1ccnc(n1)[*:1]
CCCC(=O)N[C@H](C)Cc1ccc(Cl)cc1 CCC[*:1] C[C@H](Cc1ccc(Cl)cc1)NC(=O)[*:1]
Cc1ccc(Nc2cccc(F)c2C#N)cc1C(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1[*:1])Nc1cccc(F)c1C#N
O=C(/C=C/c1ccc(Br)cc1)Nn1c(-c2ccncc2)nc2ccccc2c1=O Brc1ccc(C=C[*:1])cc1 O=C(Nn1c(nc2ccccc2c1=O)-c1ccncc1)[*:1]
O=C(/C=C/c1ccc(Br)cc1)Nn1c(-c2ccncc2)nc2ccccc2c1=O Brc1ccc(cc1)[*:1] O=C(C=C[*:1])Nn1c(nc2ccccc2c1=O)-c1ccncc1
O=C(/C=C/c1ccc(Br)cc1)Nn1c(-c2ccncc2)nc2ccccc2c1=O c1cc(ccn1)[*:1] O=C(/C=C/c1ccc(Br)cc1)Nn1c(nc2ccccc2c1=O)[*:1]
Cc1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(C)n1C[C@@H]1CCCO1 O=C(N[*:1])C1CC1 Cc1cc(-c2csc(n2)-c2cccc(c2)[*:1])c(C)n1C[C@@H]1CCCO1
Cc1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(C)n1C[C@@H]1CCCO1 C1CC1[*:1] Cc1cc(-c2csc(n2)-c2cccc(c2)NC(=O)[*:1])c(C)n1C[C@@H]1CCCO1
CCC[C@H](C)NC(=O)Nc1cccc(NC(=O)CC)c1 CCC[*:1] CCC(=O)Nc1cccc(c1)NC(=O)N[C@@H](C)[*:1]
CCC[C@H](C)NC(=O)Nc1cccc(NC(=O)CC)c1 CCC[C@H](C)[*:1] CCC(=O)Nc1cccc(c1)NC(=O)N[*:1]
CCC[C@H](C)NC(=O)Nc1cccc(NC(=O)CC)c1 CCC(=O)N[*:1] CCC[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
c1csc(CCn2cnnc2SC2CCCCC2)c1 c1csc(c1)[*:1] c1nnc(SC2CCCCC2)n1CC[*:1]
c1csc(CCn2cnnc2SC2CCCCC2)c1 C1CCC(CC1)[*:1] c1csc(c1)CCn1cnnc1S[*:1]
c1csc(CCn2cnnc2SC2CCCCC2)c1 c1csc(c1)C[*:1] c1nnc(SC2CCCCC2)n1C[*:1]
C=CCN(CC#Cc1ccccc1)Cc1cc2c(cc1OC)OCO2 C=CC[*:1] COc1cc2OCOc2cc1CN(CC#Cc1ccccc1)[*:1]
C=CCN(CC#Cc1ccccc1)Cc1cc2c(cc1OC)OCO2 C(#C[*:1])c1ccccc1 C=CCN(Cc1cc2OCOc2cc1OC)C[*:1]
C=CCN(CC#Cc1ccccc1)Cc1cc2c(cc1OC)OCO2 c1ccc(cc1)[*:1] C=CCN(CC#C[*:1])Cc1cc2OCOc2cc1OC
O=[S@@](Cc1ncn(-c2ccccc2)n1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=[S@@](Cc1ncn(n1)-c1ccccc1)[*:1]
O=[S@@](Cc1ncn(-c2ccccc2)n1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=[S@@](Cc1ncn(n1)[*:1])c1ccc(F)cc1
COc1ccc(NC(=O)C[NH+]2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)C[NH+]1CCCN(C[*:1])S1(=O)=O
COc1ccc(NC(=O)C[NH+]2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)cc1 Clc1cccc(c1)C[*:1] COc1ccc(cc1)NC(=O)C[NH+]1CCCN(S1(=O)=O)[*:1]
COc1ccc(NC(=O)C[NH+]2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)cc1 COc1ccc(cc1)[*:1] O=C(C[NH+]1CCCN(Cc2cccc(Cl)c2)S1(=O)=O)N[*:1]
CC(=O)C1(N2CCOCC2)CCCC1 CC(=O)[*:1] C1CCC(C1)(N1CCOCC1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(NCC(=O)N2CCCC[C@H]2C)cc1 CCN(CC)S(=O)(=O)[*:1] C[C@@H]1CCCCN1C(=O)CNc1ccc(cc1)[*:1]
CCOc1ccccc1CN(C(=O)[C@H]([NH3+])CO)C1CC1 C1CC1[*:1] CCOc1ccccc1CN(C(=O)[C@H]([NH3+])CO)[*:1]
CCOc1ccccc1CN(C(=O)[C@H]([NH3+])CO)C1CC1 CCO[*:1] [NH3+][C@H](CO)C(=O)N(Cc1ccccc1[*:1])C1CC1
C#CCN(CC(=O)[O-])c1n[nH]c(=O)[nH]c1=O O=C([O-])C[*:1] C#CCN(c1n[nH]c(=O)[nH]c1=O)[*:1]
C#CCN(CC(=O)[O-])c1n[nH]c(=O)[nH]c1=O O=C([O-])[*:1] C#CCN(C[*:1])c1n[nH]c(=O)[nH]c1=O
C#CCN(CC(=O)[O-])c1n[nH]c(=O)[nH]c1=O C#CC[*:1] O=C([O-])CN(c1n[nH]c(=O)[nH]c1=O)[*:1]
CN(CCc1cccs1)C(=O)c1cccc2ncccc12 c1csc(c1)C[*:1] CN(C[*:1])C(=O)c1cccc2ncccc12
CN(CCc1cccs1)C(=O)c1cccc2ncccc12 c1csc(c1)[*:1] CN(CC[*:1])C(=O)c1cccc2ncccc12
CN(CCc1cccs1)C(=O)c1cccc2ncccc12 c1csc(c1)CC[*:1] CN(C(=O)c1cccc2ncccc12)[*:1]
CCc1cccc(CC)c1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C c1ccc(cc1)C[*:1] CCc1cccc(CC)c1NC(=O)[C@@H](N1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C)[*:1]
CCc1cccc(CC)c1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C c1ccc(cc1)[*:1] CCc1cccc(CC)c1NC(=O)[C@@H](C[*:1])N1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C
CCc1cccc(CC)c1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C CCc1cccc(CC)c1[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C2=O)[C@H](Cc1ccccc1)C(=O)N[*:1]
CC(C)(CCS(C)(=O)=O)CNC(=O)N1C[C@H]2CCCC[C@H]2C1 CS(=O)(=O)CC[*:1] CC(C)(CNC(=O)N1C[C@H]2CCCC[C@H]2C1)[*:1]
CC(C)(CCS(C)(=O)=O)CNC(=O)N1C[C@H]2CCCC[C@H]2C1 CS(=O)(=O)C[*:1] CC(C)(CNC(=O)N1C[C@H]2CCCC[C@H]2C1)C[*:1]
CC(C)(CCS(C)(=O)=O)CNC(=O)N1C[C@H]2CCCC[C@H]2C1 CS(=O)(=O)[*:1] CC(C)(CC[*:1])CNC(=O)N1C[C@H]2CCCC[C@H]2C1
CSc1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1 c1cc(on1)[*:1] CSc1cccc(c1)[N-]S(=O)(=O)c1c(C)sc(C)c1[*:1]
CSc1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1 CSc1cccc(c1)[*:1] Cc1sc(C)c(c1-c1ccno1)S(=O)(=O)[N-][*:1]
CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(c2)[*:1])C1
CCC[C@](C)(O)c1cc(F)cc(F)c1 CCC[*:1] C[C@](O)(c1cc(F)cc(F)c1)[*:1]
COc1cc([C@H]2C(C(=O)Nc3cccc(C)c3)=C(C)Nc3nnnn32)ccc1O COc1cc(ccc1O)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)Nc1cccc(C)c1)[*:1]
COc1cc([C@H]2C(C(=O)Nc3cccc(C)c3)=C(C)Nc3nnnn32)ccc1O Cc1cccc(c1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)N[*:1])=C(C)Nc2nnnn21
CC(C)CNC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C CC(C)CNC(=O)[*:1] Cn1c(=O)c2c(ncn2CCC[*:1])n(C)c1=O
CC(C)CNC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C CC(C)[*:1] Cn1c(=O)c2c(ncn2CCCC(=O)NC[*:1])n(C)c1=O
CC(C)CNC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C CC(C)C[*:1] Cn1c(=O)c2c(ncn2CCCC(=O)N[*:1])n(C)c1=O
Cc1nc2ccccn2c1C(=O)N1CCC(Oc2ncccn2)CC1 c1cnc(nc1)[*:1] Cc1nc2ccccn2c1C(=O)N1CCC(CC1)O[*:1]
Cc1nc2ccccn2c1C(=O)N1CCC(Oc2ncccn2)CC1 c1cnc(nc1)O[*:1] Cc1nc2ccccn2c1C(=O)N1CCC(CC1)[*:1]
O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccc(O)cc1C(=O)[O-] O=C([O-])c1cc(O)ccc1[*:1] O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)N[*:1]
O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccc(O)cc1C(=O)[O-] O=C([O-])[*:1] O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccc(O)cc1[*:1]
O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccc(O)cc1C(=O)[O-] Fc1ccc(cc1)[*:1] O=C(CCN1C(=O)SC(=C[*:1])C1=O)Nc1ccc(O)cc1C(=O)[O-]
C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H](C)[C@@H]1COc2ccccc21 Fc1cccc(c1)[*:1] C[C@@H](CC(=O)N[*:1])[NH2+][C@H](C)[C@@H]1COc2ccccc21
COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N4CCCC[C@H]4C)c(C)c32)cc1 COc1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)N1CCCC[C@H]1C
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 c1cc2OCCOc2cc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1
C/C(=C/C(=O)N(CC(N)=O)C(C)C)c1ccccc1OC(F)F NC(=O)C[*:1] C/C(=C/C(=O)N(C(C)C)[*:1])c1ccccc1OC(F)F
C/C(=C/C(=O)N(CC(N)=O)C(C)C)c1ccccc1OC(F)F NC(=O)[*:1] C/C(=C/C(=O)N(C[*:1])C(C)C)c1ccccc1OC(F)F
C/C(=C/C(=O)N(CC(N)=O)C(C)C)c1ccccc1OC(F)F CC(C)[*:1] C/C(=C/C(=O)N(CC(N)=O)[*:1])c1ccccc1OC(F)F
C/C(=C/C(=O)N(CC(N)=O)C(C)C)c1ccccc1OC(F)F FC(F)O[*:1] C/C(=C/C(=O)N(CC(N)=O)C(C)C)c1ccccc1[*:1]
C/C(=C/C(=O)N(CC(N)=O)C(C)C)c1ccccc1OC(F)F FC(F)[*:1] C/C(=C/C(=O)N(CC(N)=O)C(C)C)c1ccccc1O[*:1]
O=S(=O)(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1ccccc1F Fc1ccccc1[*:1] O=S(=O)(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)[*:1]
O=S(=O)(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1ccccc1F c1cc(cs1)[*:1] O=S(=O)(NC[C@@H](N1CCc2ccccc2C1)[*:1])c1ccccc1F
CC(C)c1noc(CCC(=O)OC2(C3CC3)CC2)n1 C1CC1C1(CC1)[*:1] CC(C)c1noc(CCC(=O)O[*:1])n1
CC(C)c1noc(CCC(=O)OC2(C3CC3)CC2)n1 CC(C)[*:1] O=C(CCc1nc(no1)[*:1])OC1(CC1)C1CC1
CC(C)c1noc(CCC(=O)OC2(C3CC3)CC2)n1 C1CC1[*:1] CC(C)c1noc(CCC(=O)OC2(CC2)[*:1])n1
CC(C)C[C@@H]1NC(=O)N(CN(C[C@@H]2CCCCO2)C(C)C)C1=O CC(C)[*:1] CC(C)C[C@@H]1NC(=O)N(CN(C[C@@H]2CCCCO2)[*:1])C1=O
CC(C)C[C@@H]1NC(=O)N(CN(C[C@@H]2CCCCO2)C(C)C)C1=O CC(C)[*:1] CC(C)N(C[C@@H]1CCCCO1)CN1C(=O)N[C@@H](C[*:1])C1=O
CC(C)C[C@@H]1NC(=O)N(CN(C[C@@H]2CCCCO2)C(C)C)C1=O C1CC[C@@H](C[*:1])OC1 CC(C)C[C@@H]1NC(=O)N(CN(C(C)C)[*:1])C1=O
CC(C)C[C@@H]1NC(=O)N(CN(C[C@@H]2CCCCO2)C(C)C)C1=O C1CC[C@H](OC1)[*:1] CC(C)C[C@@H]1NC(=O)N(CN(C[*:1])C(C)C)C1=O
CC(C)C[C@@H]1NC(=O)N(CN(C[C@@H]2CCCCO2)C(C)C)C1=O CC(C)C[*:1] CC(C)N(C[C@@H]1CCCCO1)CN1C(=O)N[C@H](C1=O)[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1 c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1)[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N[C@H]1C[C@H]1[*:1])-c1nnco1
CCc1ccc(OC[C@@H](O)Cn2c(C)nc3sc4c(c3c2=O)CCC4)cc1 CCc1ccc(cc1)O[*:1] Cc1nc2sc3CCCc3c2c(=O)n1C[C@H](O)C[*:1]
CCc1ccc(OC[C@@H](O)Cn2c(C)nc3sc4c(c3c2=O)CCC4)cc1 CCc1ccc(cc1)[*:1] Cc1nc2sc3CCCc3c2c(=O)n1C[C@H](O)CO[*:1]
COC1CCN(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)CC1 CN(C)C(=O)[*:1] COC1CCN(CC1)C(=O)Nc1ccc(F)c(c1)[*:1]
C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccccc1SC(F)F FC(F)S[*:1] C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccccc1[*:1]
C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccccc1SC(F)F c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1ccccc1SC(F)F
C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccccc1SC(F)F FC(F)[*:1] C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccccc1S[*:1]
O=C(CCn1cncn1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] O=C(CCn1cncn1)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
O=C(CCn1cncn1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 c1ncn(C[*:1])n1 O=C(C[*:1])N[C@H](c1cccc(c1)C(F)(F)F)C1CC1
O=C(CCn1cncn1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 c1ncn(n1)[*:1] O=C(CC[*:1])N[C@H](c1cccc(c1)C(F)(F)F)C1CC1
O=C(CCn1cncn1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] O=C(CCn1cncn1)N[C@H](c1cccc(c1)[*:1])C1CC1
O=C(CCn1cncn1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 c1ncn(CC[*:1])n1 O=C(N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
Cc1cc(C(=O)[C@H](C#N)c2ccccn2)c(C)s1 c1ccc(nc1)[*:1] Cc1cc(C(=O)[C@H](C#N)[*:1])c(C)s1
CC(C)N(C(=O)Cn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21)c1ccccc1 Fc1ccc(cc1)C[*:1] CC(C)N(C(=O)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1
CC(C)N(C(=O)Cn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21)c1ccccc1 CC(C)N(C(=O)[*:1])c1ccccc1 O=C1C[C@H](CN1Cc1ccc(F)cc1)c1nc2ccccc2n1C[*:1]
CC(C)N(C(=O)Cn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21)c1ccccc1 CC(C)[*:1] O=C1C[C@H](CN1Cc1ccc(F)cc1)c1nc2ccccc2n1CC(=O)N(c1ccccc1)[*:1]
CC(C)N(C(=O)Cn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)[*:1]
CC(C)N(C(=O)Cn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21)c1ccccc1 Fc1ccc(cc1)[*:1] CC(C)N(C(=O)Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)C[*:1])c1ccccc1
Cc1cccc(CCNC(=O)c2cn(C)nc2C(C)(C)C)c1 Cc1cccc(c1)[*:1] Cn1cc(C(=O)NCC[*:1])c(n1)C(C)(C)C
Cc1cccc(CCNC(=O)c2cn(C)nc2C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)CCNC(=O)c1cn(C)nc1[*:1]
O=C(C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)NCC[NH+]1CCCCC1 c1cc2OCOc2cc1[*:1] O=C(C[C@@H](c1ccccc1)[*:1])NCC[NH+]1CCCCC1
O=C(C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)NCC[NH+]1CCCCC1 c1ccc(cc1)[*:1] O=C(C[C@@H](c1ccc2OCOc2c1)[*:1])NCC[NH+]1CCCCC1
CSc1ccc(O[C@H](C)C(=O)Nc2cccnc2-n2ccnc2C)cc1 CSc1ccc(cc1)[*:1] Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)O[*:1]
CSc1ccc(O[C@H](C)C(=O)Nc2cccnc2-n2ccnc2C)cc1 Cc1nccn1[*:1] CSc1ccc(cc1)O[C@H](C)C(=O)Nc1cccnc1[*:1]
CC(C)(C)c1ccc(NC(=O)NC[C@@](C)(O)C2CC2)cc1 CC(C)(C)[*:1] C[C@@](O)(CNC(=O)Nc1ccc(cc1)[*:1])C1CC1
CC(C)(C)c1ccc(NC(=O)NC[C@@](C)(O)C2CC2)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)NC(=O)NC[C@@](C)(O)[*:1]
N#Cc1cccnc1NCCNC(=O)c1ccc(F)nc1 Fc1ccc(cn1)[*:1] N#Cc1cccnc1NCCNC(=O)[*:1]
C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)C(F)(F)F
CCn1c(SCc2c(C)noc2C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 Cc1noc(C)c1CS[*:1] CCn1c(nc2cc(ccc21)S(=O)(=O)N1CCCCC1)[*:1]
CCn1c(SCc2c(C)noc2C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 Cc1noc(C)c1C[*:1] CCn1c(nc2cc(ccc21)S(=O)(=O)N1CCCCC1)S[*:1]
CCn1c(SCc2c(C)noc2C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 O=S(=O)(N1CCCCC1)[*:1] CCn1c(nc2cc(ccc21)[*:1])SCc1c(C)noc1C
CCn1c(SCc2c(C)noc2C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 Cc1noc(C)c1[*:1] CCn1c(nc2cc(ccc21)S(=O)(=O)N1CCCCC1)SC[*:1]
CSc1ccc(C[NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 CSc1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1ccc(cc1Br)[N+](=O)[O-])C[*:1]
CSc1ccc(C[NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 O=[N+]([O-])[*:1] CSc1ccc(cc1)C[NH+](C)CC(=O)Nc1ccc(cc1Br)[*:1]
CCc1c(C)sc2[nH]c(=S)n(Cc3ccc(C)cc3)c(=O)c12 Cc1ccc(cc1)[*:1] CCc1c(C)sc2[nH]c(=S)n(C[*:1])c(=O)c12
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 O=[N+]([O-])[*:1] Cc1nc2sc(c(O)n2n1)[C@@H](c1ccc(cc1)[*:1])N1C[C@H](C)O[C@H](C)C1
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1nc2sc(c(O)n2n1)[C@@H](N1C[C@H](C)O[C@H](C)C1)[*:1]
CC[C@H](C)[C@@H](CSC)[NH2+]C CSC[*:1] CC[C@H](C)[C@@H]([NH2+]C)[*:1]
CC(C)N(C)c1cccc(NC(=O)NCC2(c3ccccc3)CCOCC2)c1 c1ccc(cc1)[*:1] CC(C)N(C)c1cccc(c1)NC(=O)NCC1(CCOCC1)[*:1]
CC(C)N(C)c1cccc(NC(=O)NCC2(c3ccccc3)CCOCC2)c1 CC(C)N(C)[*:1] O=C(NCC1(CCOCC1)c1ccccc1)Nc1cccc(c1)[*:1]
CC(C)N(C)c1cccc(NC(=O)NCC2(c3ccccc3)CCOCC2)c1 CC(C)[*:1] CN(c1cccc(c1)NC(=O)NCC1(CCOCC1)c1ccccc1)[*:1]
CC(C)[NH2+]C/C(=C\c1c(Cl)nc2ccccn12)C(C)C CC(C)[*:1] CC(C)[NH2+]C/C(=C\c1c(Cl)nc2ccccn12)[*:1]
CC(C)[NH2+]C/C(=C\c1c(Cl)nc2ccccn12)C(C)C CC(C)[*:1] CC(C)/C(=C/c1c(Cl)nc2ccccn12)C[NH2+][*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)[C@@H](C)Cc1ccsc1 c1cc(cs1)[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)[C@@H](C)C[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)[C@@H](C)Cc1ccsc1 c1cc(cs1)C[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)[C@@H](C)[*:1]
NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 NC(=O)[*:1] O=C(Nc1ccccc1C[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)C(F)(F)F
NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 NC(=O)C[*:1] O=C(Nc1ccccc1[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)C(F)(F)F
COC(=O)Nc1ccc(OC(=O)Cc2ccon2)cc1 c1cc(no1)[*:1] COC(=O)Nc1ccc(cc1)OC(=O)C[*:1]
COC(=O)Nc1ccc(OC(=O)Cc2ccon2)cc1 COC(=O)N[*:1] O=C(Cc1ccon1)Oc1ccc(cc1)[*:1]
COC(=O)Nc1ccc(OC(=O)Cc2ccon2)cc1 c1cc(C[*:1])no1 COC(=O)Nc1ccc(cc1)OC(=O)[*:1]
O=C(Cc1c([O-])c2ccccc2oc1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1c([O-])c2ccccc2oc1=O)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)NCCc1ncnn1C)C(C)C Cn1ncnc1CC[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N[*:1])C(C)C
Cc1ccccc1C(=O)N[C@@H](C(=O)NCCc1ncnn1C)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)NCCc1ncnn1C)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)NCCc1ncnn1C)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NCCc1ncnn1C
Cc1ccccc1C(=O)N[C@@H](C(=O)NCCc1ncnn1C)C(C)C Cn1ncnc1C[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)NC[*:1])C(C)C
Cc1ccccc1C(=O)N[C@@H](C(=O)NCCc1ncnn1C)C(C)C Cn1ncnc1[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)NCC[*:1])C(C)C
Cc1c(Cl)cccc1-c1cccc(Cl)c1C(=O)[O-] O=C([O-])[*:1] Cc1c(Cl)cccc1-c1cccc(Cl)c1[*:1]
CSc1nsc(NC(=O)CCC(C)(C)C)n1 CC(C)(C)[*:1] CSc1nsc(n1)NC(=O)CC[*:1]
CSc1nsc(NC(=O)CCC(C)(C)C)n1 CC(C)(C)C[*:1] CSc1nsc(n1)NC(=O)C[*:1]
CC[C@@H](NC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@@H](NC(=O)C1CCC(=O)N(N=1)c1cccc(C)c1)[*:1]
CC[C@@H](NC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)c1nc(C)n[nH]1 Cc1cccc(c1)[*:1] CC[C@@H](NC(=O)C1CCC(=O)N(N=1)[*:1])c1nc(C)n[nH]1
COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(N2CCOC2=O)ccc1C COc1ccccc1[*:1] Cc1ccc(cc1NC(=O)[C@@H]1C[C@H]1[*:1])N1CCOC1=O
COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(N2CCOC2=O)ccc1C O=C1OCCN1[*:1] COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(ccc1C)[*:1]
CC(C)CCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)CC[*:1] O=C(NC[*:1])C(=O)Nc1ccc(F)c(Cl)c1
CC(C)CCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)C[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(F)c(Cl)c1
CC(C)CCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)[*:1] O=C(NCCC[*:1])C(=O)Nc1ccc(F)c(Cl)c1
CC(C)CCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)CCC[*:1] O=C(Nc1ccc(F)c(Cl)c1)C(=O)N[*:1]
Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3ccccc3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)c1ccccc1
Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)S[C@H](C)C(=O)[*:1]
CSCC[C@H](NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C(=O)[O-] O=C([O-])[*:1] CSCC[C@H](NC(=O)Nc1cccc(c1)-c1nc2ccccc2o1)[*:1]
CSCC[C@H](NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C(=O)[O-] CSCC[*:1] O=C(Nc1cccc(c1)-c1nc2ccccc2o1)N[C@H](C(=O)[O-])[*:1]
CSCC[C@H](NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C(=O)[O-] c1ccc2oc(nc2c1)[*:1] CSCC[C@H](NC(=O)Nc1cccc(c1)[*:1])C(=O)[O-]
CSCC[C@H](NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C(=O)[O-] CSC[*:1] O=C(Nc1cccc(c1)-c1nc2ccccc2o1)N[C@@H](C[*:1])C(=O)[O-]
C=CC[NH+](CCO)Cc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C=CC[NH+](CCO)Cc1ccc(cc1)[*:1]
C=CC[NH+](CCO)Cc1ccc(-n2cncn2)cc1 OCC[*:1] C=CC[NH+](Cc1ccc(cc1)-n1cncn1)[*:1]
O=C(OCc1nc(Cc2ccccc2)no1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 c1ccc(cc1)[*:1] O=C(OCc1nc(C[*:1])no1)[C@@H]1CCc2[nH]nc(c2C1)C(F)(F)F
O=C(OCc1nc(Cc2ccccc2)no1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 FC(F)(F)[*:1] O=C(OCc1nc(Cc2ccccc2)no1)[C@@H]1CCc2[nH]nc(c2C1)[*:1]
O=C(OCc1nc(Cc2ccccc2)no1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 c1ccc(cc1)C[*:1] O=C(OCc1nc(no1)[*:1])[C@@H]1CCc2[nH]nc(c2C1)C(F)(F)F
COC(=O)[C@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(C)(C)C Clc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)C[C@@H](O)[*:1])C(C)(C)C
COC(=O)[C@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(C)(C)C COC(=O)[*:1] CC(C)(C)[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)[*:1]
COC(=O)[C@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)C(C)(C)C CC(C)(C)[*:1] COC(=O)[C@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)[*:1]
Cc1nn(C)cc1S(=O)(=O)Nc1nn(Cc2ccccc2)cc1Cl c1ccc(cc1)C[*:1] Cc1nn(C)cc1S(=O)(=O)Nc1nn(cc1Cl)[*:1]
Cc1nn(C)cc1S(=O)(=O)Nc1nn(Cc2ccccc2)cc1Cl Cc1nn(C)cc1[*:1] O=S(=O)(Nc1nn(cc1Cl)Cc1ccccc1)[*:1]
Cc1nn(C)cc1S(=O)(=O)Nc1nn(Cc2ccccc2)cc1Cl c1ccc(cc1)[*:1] Cc1nn(C)cc1S(=O)(=O)Nc1nn(cc1Cl)C[*:1]
Cc1ccccc1-n1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 Cc1ccccc1[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnn(c1)[*:1]
Cc1ccccc1-n1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 c1ccc(cc1)[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N1CCC[C@H]1[C@@H](C#N)[*:1]
Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 FC(F)(F)[*:1] Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1cccc(c1)[*:1])[NH+]1CCCC1
Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCCC1 Cn1cccc1[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
C[C@H]1CC(=O)CC[C@@H]1C(=O)N[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H]1CC(=O)CC[C@@H]1C(=O)N[C@H](C)[*:1]
Cc1ccc(Cc2c(C)nc3c(C(=O)NC4CCCCC4)cnn3c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1nc2c(cnn2c(C)c1[*:1])C(=O)NC1CCCCC1
Cc1ccc(Cc2c(C)nc3c(C(=O)NC4CCCCC4)cnn3c2C)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)Cc1c(C)nc2c(cnn2c1C)C(=O)N[*:1]
Cc1ccc(Cc2c(C)nc3c(C(=O)NC4CCCCC4)cnn3c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nc2c(cnn2c(C)c1C[*:1])C(=O)NC1CCCCC1
Cc1ccc(Cc2c(C)nc3c(C(=O)NC4CCCCC4)cnn3c2C)cc1 O=C(NC1CCCCC1)[*:1] Cc1ccc(cc1)Cc1c(C)nc2c(cnn2c1C)[*:1]
N#C/C(=C\c1cn(CC(=O)[O-])c2ccccc12)C(=O)N1CCCC[C@@H]1C#N O=C([O-])[*:1] N#C/C(=C\c1cn(C[*:1])c2ccccc12)C(=O)N1CCCC[C@@H]1C#N
N#C/C(=C\c1cn(CC(=O)[O-])c2ccccc12)C(=O)N1CCCC[C@@H]1C#N O=C([O-])C[*:1] N#C/C(=C\c1cn(c2ccccc12)[*:1])C(=O)N1CCCC[C@@H]1C#N
C[NH+](Cc1nc2c(oc3ccccc32)c(=O)[nH]1)Cc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] C[NH+](Cc1nc2c(oc3ccccc32)c(=O)[nH]1)C[*:1]
C[C@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1)c1noc(n1)[*:1]
C[C@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[C@H]1C[C@@H]1[*:1] C[C@H](NC(=O)N[*:1])c1noc(Cc2ccccc2)n1
C[C@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1)c1noc(C[*:1])n1
C[C@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H]1C[C@H]1[*:1])c1noc(Cc2ccccc2)n1
O=S1(=O)CC[C@H](N(Cc2cccs2)Cn2cc(C(F)(F)F)cc(Cl)c2=S)C1 c1csc(c1)[*:1] O=S1(=O)CC[C@@H](C1)N(Cn1cc(cc(Cl)c1=S)C(F)(F)F)C[*:1]
O=S1(=O)CC[C@H](N(Cc2cccs2)Cn2cc(C(F)(F)F)cc(Cl)c2=S)C1 FC(F)(F)[*:1] O=S1(=O)CC[C@@H](C1)N(Cc1cccs1)Cn1cc(cc(Cl)c1=S)[*:1]
O=S1(=O)CC[C@H](N(Cc2cccs2)Cn2cc(C(F)(F)F)cc(Cl)c2=S)C1 c1csc(c1)C[*:1] O=S1(=O)CC[C@@H](C1)N(Cn1cc(cc(Cl)c1=S)C(F)(F)F)[*:1]
C[C@](CO)(NC(=O)Nc1ccnc(Oc2ccccc2Cl)c1)C1CC1 Clc1ccccc1[*:1] C[C@](CO)(NC(=O)Nc1ccnc(c1)O[*:1])C1CC1
C[C@](CO)(NC(=O)Nc1ccnc(Oc2ccccc2Cl)c1)C1CC1 C1CC1[*:1] C[C@](CO)(NC(=O)Nc1ccnc(c1)Oc1ccccc1Cl)[*:1]
C[C@](CO)(NC(=O)Nc1ccnc(Oc2ccccc2Cl)c1)C1CC1 Clc1ccccc1O[*:1] C[C@](CO)(NC(=O)Nc1ccnc(c1)[*:1])C1CC1
CC(=O)N(C)c1ccccc1NCc1cc(C)ccc1OC(F)F FC(F)O[*:1] CC(=O)N(C)c1ccccc1NCc1cc(C)ccc1[*:1]
CC(=O)N(C)c1ccccc1NCc1cc(C)ccc1OC(F)F FC(F)[*:1] CC(=O)N(C)c1ccccc1NCc1cc(C)ccc1O[*:1]
CC(=O)N(C)c1ccccc1NCc1cc(C)ccc1OC(F)F CC(=O)N(C)[*:1] Cc1ccc(OC(F)F)c(c1)CNc1ccccc1[*:1]
COC1CCC(CC(=O)Nc2sccc2C(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] COC1CCC(CC1)CC(=O)Nc1sccc1[*:1]
COC1CCC(CC(=O)Nc2sccc2C(=O)NC2CC2)CC1 C1CC1[*:1] COC1CCC(CC1)CC(=O)Nc1sccc1C(=O)N[*:1]
Nc1cc(F)c(SC[C@H](O)CO)c(F)c1 OC[C@@H](O)C[*:1] Nc1cc(F)c(S[*:1])c(F)c1
Nc1cc(F)c(SC[C@H](O)CO)c(F)c1 OC[C@@H](O)[*:1] Nc1cc(F)c(SC[*:1])c(F)c1
CC(C)[C@@H](CNC(=O)Nc1cnc2ccccc2c1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@@H](CNC(=O)Nc1cnc2ccccc2c1)[*:1]
CC(C)[C@@H](CNC(=O)Nc1cnc2ccccc2c1)N1CCOCC1 CC(C)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])Nc1cnc2ccccc2c1
COc1cccc(CC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)c1 COc1cccc(c1)[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)C[*:1]
COc1cccc(CC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)N1C[C@H](C)O[C@H](C1)[*:1]
CCCCOC(=O)C[NH2+]C1C(C)(C)C1(C)C CCCC[*:1] CC1(C)C([NH2+]CC(=O)O[*:1])C1(C)C
CCCCOC(=O)C[NH2+]C1C(C)(C)C1(C)C CCC[*:1] CC1(C)C([NH2+]CC(=O)OC[*:1])C1(C)C
COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] Cc1nnc2S[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](Nn12)[*:1]
COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1Nn2c(C)nnc2S[C@@H]1C(=O)N[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 CC(C)Cn1cnnc1[*:1] C[C@H](NC(=O)N1CCC[C@H]1[*:1])c1cccc(C#N)c1
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@@H](C)[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 CC(C)C[*:1] C[C@H](NC(=O)N1CCC[C@H]1c1nncn1[*:1])c1cccc(C#N)c1
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(C#N)c1 CC(C)[*:1] C[C@H](NC(=O)N1CCC[C@H]1c1nncn1C[*:1])c1cccc(C#N)c1
CC(C)[C@H](C)[C@@H](Br)[C@@H](C)c1ccccn1 CC(C)[C@H](C)[*:1] C[C@@H](c1ccccn1)[C@H](Br)[*:1]
CC(C)[C@H](C)[C@@H](Br)[C@@H](C)c1ccccn1 CC(C)[*:1] C[C@@H](c1ccccn1)[C@H](Br)[C@@H](C)[*:1]
[NH3+]C[C@@H](Nc1ccc(Br)cc1)c1ccc(C2CC2)cc1 C1CC1[*:1] [NH3+]C[C@@H](Nc1ccc(Br)cc1)c1ccc(cc1)[*:1]
Cc1ccccc1OCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccco1 c1coc(c1)[*:1] Cc1ccccc1OCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1[*:1]
Cc1ccccc1OCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccco1 O=C([O-])[*:1] Cc1ccccc1OCCN1C(=O)CC[C@H]([C@@H]1c1ccco1)[*:1]
Cc1ccccc1OCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccco1 Cc1ccccc1O[*:1] O=C([O-])[C@H]1CCC(=O)N(CC[*:1])[C@H]1c1ccco1
Cc1ccccc1OCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccco1 Cc1ccccc1[*:1] O=C([O-])[C@H]1CCC(=O)N(CCO[*:1])[C@H]1c1ccco1
CCCC[C@H](CC)C(=O)Nc1ccccc1F CCC[*:1] CC[C@@H](C[*:1])C(=O)Nc1ccccc1F
CCCC[C@H](CC)C(=O)Nc1ccccc1F CCCC[*:1] CC[C@H](C(=O)Nc1ccccc1F)[*:1]
CC(=O)c1cccc(S(=O)(=O)N(C)CC(N)=O)c1 CC(=O)[*:1] CN(CC(N)=O)S(=O)(=O)c1cccc(c1)[*:1]
CC(=O)c1cccc(S(=O)(=O)N(C)CC(N)=O)c1 NC(=O)C[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
CC(=O)c1cccc(S(=O)(=O)N(C)CC(N)=O)c1 NC(=O)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N(C)C[*:1]
Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1C C1CCC(C1)[*:1] Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(C2)C(=O)[*:1])n1C
Cc1cncc(NC(=O)NNc2nc3ccccc3s2)c1 Cc1cncc(c1)[*:1] O=C(NNc1nc2ccccc2s1)N[*:1]
COc1ccc([C@H](O)Cn2cnc(C3CCC3)cc2=O)cc1F C1CC(C1)[*:1] COc1ccc(cc1F)[C@H](O)Cn1cnc(cc1=O)[*:1]
C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCCC[C@H]1C O=S1(=O)CC[C@H](C1)[*:1] C[C@H](NC(=O)N[*:1])C(=O)N1CCCC[C@H]1C
Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)NCCC(C)C)CC3)n2)n1 Cc1cc(C)n(n1)[*:1] CC(C)CCNC(=O)C1CCN(CC1)c1nccc(n1)[*:1]
Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)NCCC(C)C)CC3)n2)n1 CC(C)CCNC(=O)[*:1] Cc1cc(C)n(n1)-c1ccnc(n1)N1CCC(CC1)[*:1]
Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)NCCC(C)C)CC3)n2)n1 CC(C)C[*:1] Cc1cc(C)n(n1)-c1ccnc(n1)N1CCC(CC1)C(=O)NC[*:1]
Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)NCCC(C)C)CC3)n2)n1 CC(C)CC[*:1] Cc1cc(C)n(n1)-c1ccnc(n1)N1CCC(CC1)C(=O)N[*:1]
Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)NCCC(C)C)CC3)n2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1ccnc(n1)N1CCC(CC1)C(=O)NCC[*:1]
O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ncn(n1)[*:1]
O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ncn(-c2ccccc2)n1 O=C(NCc1cccnc1)[*:1] O=C(Nc1ccccc1[*:1])c1ncn(n1)-c1ccccc1
O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ncn(-c2ccccc2)n1 c1cncc(c1)[*:1] O=C(Nc1ccccc1C(=O)NC[*:1])c1ncn(n1)-c1ccccc1
O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ncn(-c2ccccc2)n1 c1cncc(c1)C[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1ncn(n1)-c1ccccc1
CSc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cn1 CSc1ccc(cn1)[*:1] O=C(c1cccc(c1)NC(=O)[*:1])N1CCCC1
CSc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cn1 O=C(N1CCCC1)[*:1] CSc1ccc(cn1)C(=O)Nc1cccc(c1)[*:1]
O=C([O-])[C@@H]1CSCN1C(=O)COc1ccc(Cl)cc1Cl O=C([O-])[*:1] O=C(COc1ccc(Cl)cc1Cl)N1CSC[C@H]1[*:1]
O=C(C1c2ccccc2Oc2ccccc21)n1cccn1 O=C(n1cccn1)[*:1] c1ccc2c(c1)Oc1ccccc1C2[*:1]
Nc1nonc1C(=O)N1Cc2ccccc2OC2(CCOCC2)C1 Nc1nonc1[*:1] O=C(N1Cc2ccccc2OC2(CCOCC2)C1)[*:1]
O=S(=O)(Cc1ccccc1)[N-]/N=C1\CCCOc2cc(Br)ccc21 c1ccc(cc1)C[*:1] O=S(=O)([N-]/N=C1\CCCOc2cc(Br)ccc21)[*:1]
O=S(=O)(Cc1ccccc1)[N-]/N=C1\CCCOc2cc(Br)ccc21 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])[N-]/N=C1\CCCOc2cc(Br)ccc21
Cc1ccc(CNC(=S)Nc2cnn(Cc3ccc(F)cc3)c2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)CNC(=S)Nc1cnn(c1)[*:1]
Cc1ccc(CNC(=S)Nc2cnn(Cc3ccc(F)cc3)c2)cc1 Cc1ccc(cc1)[*:1] Fc1ccc(cc1)Cn1cc(cn1)NC(=S)NC[*:1]
Cc1ccc(CNC(=S)Nc2cnn(Cc3ccc(F)cc3)c2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=S)Nc1cnn(c1)C[*:1]
Cc1ccc(CNC(=S)Nc2cnn(Cc3ccc(F)cc3)c2)cc1 Cc1ccc(cc1)C[*:1] Fc1ccc(cc1)Cn1cc(cn1)NC(=S)N[*:1]
Cc1ccc(Nc2nnc(S[C@H](C)c3nc(-c4ccncc4)no3)s2)cc1C Cc1ccc(cc1C)N[*:1] C[C@@H](Sc1nnc(s1)[*:1])c1nc(no1)-c1ccncc1
Cc1ccc(Nc2nnc(S[C@H](C)c3nc(-c4ccncc4)no3)s2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](Sc1nnc(N[*:1])s1)c1nc(no1)-c1ccncc1
Cc1ccc(Nc2nnc(S[C@H](C)c3nc(-c4ccncc4)no3)s2)cc1C c1cc(ccn1)[*:1] Cc1ccc(cc1C)Nc1nnc(S[C@H](C)c2nc(no2)[*:1])s1
CCNC(=O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] CCNC(=O)[*:1] O=[N+]([O-])c1ccc(Nc2ccccc2[*:1])c(c1)[N+](=O)[O-]
CCNC(=O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNC(=O)c1ccccc1Nc1ccc(cc1[*:1])[N+](=O)[O-]
CCNC(=O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNC(=O)c1ccccc1Nc1ccc(cc1[N+](=O)[O-])[*:1]
O=[N+]([O-])c1c(Nc2ccccc2)ncnc1N1CCCC1 c1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCCC1)N[*:1]
O=[N+]([O-])c1c(Nc2ccccc2)ncnc1N1CCCC1 C1CCN(C1)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccccc1
O=[N+]([O-])c1c(Nc2ccccc2)ncnc1N1CCCC1 O=[N+]([O-])[*:1] c1ccc(cc1)Nc1ncnc(c1[*:1])N1CCCC1
O=[N+]([O-])c1c(Nc2ccccc2)ncnc1N1CCCC1 c1ccc(cc1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCCC1
Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(C)o1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCN(CC2)CC(=O)N[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1ccc(F)cc1
CN(C)C(=O)Nc1cccc(C[NH2+]C(C2CC2)C2CC2)c1 CN(C)C(=O)N[*:1] c1cc(cc(c1)[*:1])C[NH2+]C(C1CC1)C1CC1
CN(C)C(=O)Nc1cccc(C[NH2+]C(C2CC2)C2CC2)c1 C1CC1[*:1] CN(C)C(=O)Nc1cccc(c1)C[NH2+]C(C1CC1)[*:1]
CN(C)C(=O)Nc1cccc(C[NH2+]C(C2CC2)C2CC2)c1 C1CC1C(C1CC1)[*:1] CN(C)C(=O)Nc1cccc(c1)C[NH2+][*:1]
CCN1CCO[C@@H](COc2cc(F)ccc2[C@H](C)O)C1 C[C@H](O)[*:1] CCN1CCO[C@@H](COc2cc(F)ccc2[*:1])C1
C[NH+](CC(=O)[O-])Cc1csc(-c2ccco2)n1 c1coc(c1)[*:1] C[NH+](CC(=O)[O-])Cc1csc(n1)[*:1]
C[NH+](CC(=O)[O-])Cc1csc(-c2ccco2)n1 O=C([O-])[*:1] C[NH+](Cc1csc(n1)-c1ccco1)C[*:1]
Cc1cnccc1CC[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cnccc1CC[NH2+][C@@H](C)CC(=O)N(C)[*:1]
Cc1cnccc1CC[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 Cc1cnccc1[*:1] C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[*:1]
Cc1nc(C)c(C(=O)OCc2nc3c(C)cccc3c(=O)[nH]2)s1 Cc1nc(C)c(s1)[*:1] Cc1cccc2c(=O)[nH]c(COC(=O)[*:1])nc12
CS(=O)(=O)CCn1cnc2ccc(Br)cc2c1=O CS(=O)(=O)C[*:1] O=c1c2cc(Br)ccc2ncn1C[*:1]
CS(=O)(=O)CCn1cnc2ccc(Br)cc2c1=O CS(=O)(=O)[*:1] O=c1c2cc(Br)ccc2ncn1CC[*:1]
CS(=O)(=O)CCn1cnc2ccc(Br)cc2c1=O CS(=O)(=O)CC[*:1] O=c1c2cc(Br)ccc2ncn1[*:1]
CC[C@H]1C[C@@]2(CCO1)C(N)=NC(=O)N2Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1C[C@@]2(CCO1)C(N)=NC(=O)N2C[*:1]
CC[C@H]1C[C@@]2(CCO1)C(N)=NC(=O)N2Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@H]1C[C@@]2(CCO1)C(N)=NC(=O)N2[*:1]
O=C(NCCOC(=O)c1cnc(-c2ccccc2)s1)c1ccncc1 c1cc(ccn1)[*:1] O=C(OCCNC(=O)[*:1])c1cnc(s1)-c1ccccc1
O=C(NCCOC(=O)c1cnc(-c2ccccc2)s1)c1ccncc1 c1ccc(cc1)[*:1] O=C(NCCOC(=O)c1cnc(s1)[*:1])c1ccncc1
CC(C)c1nc(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)no1 CC(C)[*:1] Brc1ccc(o1)-c1nnc(SCc2noc(n2)[*:1])n1Cc1ccccc1
CC(C)c1nc(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)no1 Brc1ccc(o1)[*:1] CC(C)c1nc(CSc2nnc(n2Cc2ccccc2)[*:1])no1
CC(C)c1nc(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)no1 c1ccc(cc1)C[*:1] CC(C)c1nc(CSc2nnc(-c3ccc(Br)o3)n2[*:1])no1
CC(C)c1nc(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)no1 CC(C)c1nc(no1)[*:1] Brc1ccc(o1)-c1nnc(SC[*:1])n1Cc1ccccc1
CC(C)c1nc(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)c1nc(CSc2nnc(-c3ccc(Br)o3)n2C[*:1])no1
CC(C)c1nc(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)no1 CC(C)c1nc(C[*:1])no1 Brc1ccc(o1)-c1nnc(S[*:1])n1Cc1ccccc1
Cn1cnc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)c(c1)[N+](=O)[O-]
Cn1cnc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)n1 Cn1cnc(C[*:1])n1 O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)c(c1)[N+](=O)[O-]
Cn1cnc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)n1 O=[N+]([O-])[*:1] Cn1cnc(CNC(=O)[C@@H]2CC(=O)N(C2)c2ccc(F)c(c2)[*:1])n1
CCOc1cc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)ccn1 CCO[*:1] O=C(c1ccnc(c1)[*:1])N1CCC(CC1)OC[C@H]1CCCO1
CCOc1cc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)ccn1 C1CO[C@H](C1)CO[*:1] CCOc1cc(ccn1)C(=O)N1CCC(CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)N[C@H](C)CN1CCN(c2cccc[nH+]2)CC1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)N[C@H](C)CN1CCN(CC1)c1cccc[nH+]1)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)N[C@H](C)CN1CCN(c2cccc[nH+]2)CC1)C1CC1 C[C@@H](C1CC1)[*:1] C[C@H](CN1CCN(CC1)c1cccc[nH+]1)NC(=O)N(C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)N[C@H](C)CN1CCN(c2cccc[nH+]2)CC1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)N[C@H](C)CN1CCN(CC1)c1cccc[nH+]1)[*:1]
CC[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1OCC(C)C CC(C)CO[*:1] CC[NH2+][C@H]1c2cc(ccc2C[C@H]1[*:1])OC
CC[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1OCC(C)C CC(C)C[*:1] CC[NH2+][C@H]1c2cc(ccc2C[C@@H]1O[*:1])OC
CC[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1OCC(C)C CC(C)[*:1] CC[NH2+][C@H]1c2cc(ccc2C[C@@H]1OC[*:1])OC
C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)C[*:1] C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(cc1)O[*:1]
C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)[*:1] C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(cc1)OC[*:1]
C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)CO[*:1] C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 c1ccc(nc1)S[*:1] C[C@@H](C(=O)Nc1ccc(cc1)OCC1CCOCC1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(cc1)OCC1CCOCC1
C[C@H](c1ccccc1)N(C)C(=O)CN1CCc2sccc2[C@@H]1c1cccs1 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)CN1CCc2sccc2[C@@H]1c1cccs1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)CN1CCc2sccc2[C@@H]1c1cccs1 C[C@H](c1ccccc1)[*:1] CN(C(=O)CN1CCc2sccc2[C@@H]1c1cccs1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)CN1CCc2sccc2[C@@H]1c1cccs1 c1csc(c1)[*:1] C[C@H](c1ccccc1)N(C)C(=O)CN1CCc2sccc2[C@H]1[*:1]
C[C@@H]([NH2+]C[C@H]1CCCN(c2ncccn2)C1)c1c[nH]c2cc(F)ccc12 c1cnc(nc1)[*:1] C[C@@H]([NH2+]C[C@H]1CCCN(C1)[*:1])c1c[nH]c2cc(F)ccc12
Cc1noc(C)c1CCCNC(=O)NCCc1cc(Cl)cc(Cl)c1 Cc1noc(C)c1C[*:1] O=C(NCCc1cc(Cl)cc(Cl)c1)NCC[*:1]
Cc1noc(C)c1CCCNC(=O)NCCc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] Cc1noc(C)c1CCCNC(=O)NCC[*:1]
Cc1noc(C)c1CCCNC(=O)NCCc1cc(Cl)cc(Cl)c1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])NCCc1cc(Cl)cc(Cl)c1
CC(C)c1noc(-c2cccc(OCC(=O)Nc3ccncc3)c2)n1 CC(C)c1noc(n1)[*:1] O=C(COc1cccc(c1)[*:1])Nc1ccncc1
CC(C)c1noc(-c2cccc(OCC(=O)Nc3ccncc3)c2)n1 c1cc(ccn1)[*:1] CC(C)c1noc(n1)-c1cccc(c1)OCC(=O)N[*:1]
CC(C)c1noc(-c2cccc(OCC(=O)Nc3ccncc3)c2)n1 CC(C)[*:1] O=C(COc1cccc(c1)-c1nc(no1)[*:1])Nc1ccncc1
N#CCSc1nc(-c2ccccc2)c[nH]1 N#CC[*:1] c1ccc(cc1)-c1c[nH]c(n1)S[*:1]
N#CCSc1nc(-c2ccccc2)c[nH]1 N#CCS[*:1] c1ccc(cc1)-c1c[nH]c(n1)[*:1]
O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCc1ccco1 c1coc(c1)[*:1] O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NC[*:1]
O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)N[*:1]
Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CC/C3=C\c1ccc(OC(F)F)cc1 FC(F)[*:1] Cc1c(sc2nc3/C(=C/c4ccc(cc4)O[*:1])CCn3c(=O)c12)C(=O)[O-]
Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CC/C3=C\c1ccc(OC(F)F)cc1 O=C([O-])[*:1] Cc1c(sc2nc3/C(=C/c4ccc(cc4)OC(F)F)CCn3c(=O)c12)[*:1]
Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CC/C3=C\c1ccc(OC(F)F)cc1 FC(F)O[*:1] Cc1c(sc2nc3/C(=C/c4ccc(cc4)[*:1])CCn3c(=O)c12)C(=O)[O-]
C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(-c2ccccc2)cc1 N#Cc1ncn(n1)[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccccc1
C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(cc1)[*:1]
NC(=O)[C@@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F Clc1ccc(cc1)[*:1] NC(=O)[C@@H](c1nc2ccccc2nc1C(F)(F)F)[*:1]
NC(=O)[C@@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F FC(F)(F)[*:1] NC(=O)[C@@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1[*:1]
NC(=O)[C@@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F NC(=O)[*:1] FC(F)(F)c1nc2ccccc2nc1[C@H](c1ccc(Cl)cc1)[*:1]
COC(=O)c1ccc(NCC2(CC(C)C)CCCC2)nn1 CC(C)[*:1] COC(=O)c1ccc(nn1)NCC1(CCCC1)C[*:1]
COC(=O)c1ccc(NCC2(CC(C)C)CCCC2)nn1 COC(=O)[*:1] CC(C)CC1(CCCC1)CNc1ccc(nn1)[*:1]
COC(=O)c1ccc(NCC2(CC(C)C)CCCC2)nn1 CC(C)C[*:1] COC(=O)c1ccc(nn1)NCC1(CCCC1)[*:1]
C[C@H]1N=[NH+]C(NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)=NC1=O c1ccc(cc1)[*:1] C[C@H]1N=[NH+]C(=NC1=O)NNC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CCOc1ccccc1C=C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1C=C(C(=O)Nc1ccccc1)C(=O)N[*:1]
CCOc1ccccc1C=C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 CCOc1ccccc1[*:1] O=C(Nc1ccccc1)C(=C[*:1])C(=O)Nc1ccccc1
CCOc1ccccc1C=C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 CCO[*:1] O=C(Nc1ccccc1)C(=Cc1ccccc1[*:1])C(=O)Nc1ccccc1
CCOc1ccccc1C=C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] CCOc1ccccc1C=C(C(=O)Nc1ccccc1)[*:1]
CC(C)Cn1nc(-c2ccccc2F)ccc1=O CC(C)C[*:1] O=c1ccc(nn1[*:1])-c1ccccc1F
CC(C)Cn1nc(-c2ccccc2F)ccc1=O CC(C)[*:1] O=c1ccc(nn1C[*:1])-c1ccccc1F
COc1cccc2c1OCC[C@@H]2[NH2+]C1CCN(C(=O)OC(C)C)CC1 CC(C)[*:1] COc1cccc2c1OCC[C@@H]2[NH2+]C1CCN(CC1)C(=O)O[*:1]
Cc1ccc(CNC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)NC[*:1])c1cccc(c1)-n1cccn1
Cc1ccc(CNC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cc1 c1cnn(c1)[*:1] Cc1ccc(cc1)CNC(=O)N[C@H](C)c1cccc(c1)[*:1]
Cc1ccc(CNC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(c1)-n1cccn1
CCC[NH2+][C@@H](c1cc(C)c(F)cc1F)[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] CCC[NH2+][C@@H](c1cc(C)c(F)cc1F)[*:1]
CCC[NH2+][C@@H](c1cc(C)c(F)cc1F)[C@@H]1CCCCO1 CCC[*:1] Cc1cc(c(F)cc1F)[C@H]([NH2+][*:1])[C@@H]1CCCCO1
C=C(C)CNC(=O)c1noc2c1CCc1ccc(OC)cc1-2 C=C(C)[*:1] COc1ccc2CCc3c(noc3-c2c1)C(=O)NC[*:1]
C=C(C)CNC(=O)c1noc2c1CCc1ccc(OC)cc1-2 C=C(C)C[*:1] COc1ccc2CCc3c(noc3-c2c1)C(=O)N[*:1]
C=C(C)CNC(=O)c1noc2c1CCc1ccc(OC)cc1-2 C=C(C)CNC(=O)[*:1] COc1ccc2CCc3c(noc3-c2c1)[*:1]
O=C(NCc1cc(C2CC2)[nH]n1)c1ccc2oc(-c3cccc(F)c3)nc2c1 Fc1cccc(c1)[*:1] O=C(NCc1cc([nH]n1)C1CC1)c1ccc2oc(nc2c1)[*:1]
O=C(NCc1cc(C2CC2)[nH]n1)c1ccc2oc(-c3cccc(F)c3)nc2c1 c1c(n[nH]c1C1CC1)[*:1] O=C(NC[*:1])c1ccc2oc(nc2c1)-c1cccc(F)c1
O=C(NCc1cc(C2CC2)[nH]n1)c1ccc2oc(-c3cccc(F)c3)nc2c1 C1CC1[*:1] O=C(NCc1cc([nH]n1)[*:1])c1ccc2oc(nc2c1)-c1cccc(F)c1
O=C(NCc1cc(C2CC2)[nH]n1)c1ccc2oc(-c3cccc(F)c3)nc2c1 c1c(C[*:1])n[nH]c1C1CC1 O=C(N[*:1])c1ccc2oc(nc2c1)-c1cccc(F)c1
Cc1ccccc1CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N Cc1ccccc1[*:1] Nn1c(nnc1-c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])SC[*:1]
Cc1ccccc1CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N Cc1ccccc1CS[*:1] Nn1c(nnc1[*:1])-c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Cc1ccccc1CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N O=[N+]([O-])[*:1] Cc1ccccc1CSc1nnc(-c2cc(cc(c2)[*:1])[N+](=O)[O-])n1N
Cc1ccccc1CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N Cc1ccccc1C[*:1] Nn1c(nnc1-c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])S[*:1]
C[C@@H](NC(=O)NCC(C)(C)O)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@@H](NC(=O)NCC(C)(C)O)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)NCC(C)(C)O)c1ccc(-n2cccn2)cc1 CC(C)(O)[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(cc1)-n1cccn1
C[C@@H](NC(=O)NCC(C)(C)O)c1ccc(-n2cccn2)cc1 CC(C)(O)C[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)-n1cccn1
Cc1nc2ccc(NC(=O)[C@H]3CCCN(C(=O)NCC(C)C)C3)cc2o1 CC(C)[*:1] Cc1nc2ccc(cc2o1)NC(=O)[C@H]1CCCN(C1)C(=O)NC[*:1]
Cc1nc2ccc(NC(=O)[C@H]3CCCN(C(=O)NCC(C)C)C3)cc2o1 CC(C)C[*:1] Cc1nc2ccc(cc2o1)NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(cc1)[*:1]
O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(cc1)NC(=O)[*:1]
O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 Clc1ccc(cc1)[*:1] O=C(C[*:1])NC(=S)Nc1ccc(cc1)NC(=O)c1ccco1
O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 Clc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)NC(=S)NC(=O)[*:1])c1ccco1
CC[C@H](C(=O)NCc1cccnc1-n1cnc2ccccc21)n1cccn1 c1cnn(c1)[*:1] CC[C@H](C(=O)NCc1cccnc1-n1cnc2ccccc21)[*:1]
CC[C@H](C(=O)NCc1cccnc1-n1cnc2ccccc21)n1cccn1 c1ccc2c(c1)ncn2[*:1] CC[C@H](C(=O)NCc1cccnc1[*:1])n1cccn1
CCCc1noc([C@H](C)OC(=O)c2cccc(OC)c2O)n1 CCC[*:1] COc1cccc(C(=O)O[C@@H](C)c2nc(no2)[*:1])c1O
Nc1nnc(SCCNC(=O)OCC(F)(F)F)s1 FC(F)(F)[*:1] Nc1nnc(SCCNC(=O)OC[*:1])s1
Nc1nnc(SCCNC(=O)OCC(F)(F)F)s1 FC(F)(F)C[*:1] Nc1nnc(SCCNC(=O)O[*:1])s1
Nc1nnc(SCCNC(=O)OCC(F)(F)F)s1 Nc1nnc(s1)[*:1] O=C(NCCS[*:1])OCC(F)(F)F
Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)NCc5ccccc5F)CC4)ccc3o2)cc1 Cc1ccc(cc1)[*:1] O=C(CC1CCN(CC1)C(=O)c1ccc2oc(nc2c1)[*:1])NCc1ccccc1F
Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)NCc5ccccc5F)CC4)ccc3o2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-c1nc2cc(ccc2o1)C(=O)N1CCC(CC1)CC(=O)NC[*:1]
Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)NCc5ccccc5F)CC4)ccc3o2)cc1 O=C(NCc1ccccc1F)[*:1] Cc1ccc(cc1)-c1nc2cc(ccc2o1)C(=O)N1CCC(CC1)C[*:1]
Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)NCc5ccccc5F)CC4)ccc3o2)cc1 O=C(C[*:1])NCc1ccccc1F Cc1ccc(cc1)-c1nc2cc(ccc2o1)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)NCc5ccccc5F)CC4)ccc3o2)cc1 Fc1ccccc1C[*:1] Cc1ccc(cc1)-c1nc2cc(ccc2o1)C(=O)N1CCC(CC1)CC(=O)N[*:1]
CC[C@H](NC(=O)N[C@H]1C[C@@H]1C1CCCCC1)C(=O)N1CCOCC1 C1CCC(CC1)[*:1] CC[C@H](NC(=O)N[C@H]1C[C@H]1[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)N[C@H]1C[C@@H]1C1CCCCC1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)N[C@H]1C[C@@H]1C1CCCCC1)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2cc(Br)cn2C)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@H]1[*:1])C(=O)c1cc(Br)cn1C
O=C(NC(=S)Nc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccc2ccccc2c1)c1cccc(c1)[*:1]
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(Cn1cnc2sc(cc2c1=O)-c1ccccc1)N1CCN(CC1)C(=O)[*:1]
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCN(C(=O)c2ccco2)CC1 c1ccc(cc1)[*:1] O=C(Cn1cnc2sc(cc2c1=O)[*:1])N1CCN(CC1)C(=O)c1ccco1
Cc1c(NC(=O)CC2(O)CCCC2)cccc1N1CCOC1=O OC1(CCCC1)C[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)[*:1]
Cc1c(NC(=O)CC2(O)CCCC2)cccc1N1CCOC1=O OC1(CCCC1)[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)C[*:1]
Cc1c(NC(=O)CC2(O)CCCC2)cccc1N1CCOC1=O O=C1OCCN1[*:1] Cc1c(cccc1[*:1])NC(=O)CC1(O)CCCC1
CCn1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)n1 CCn1ccc(n1)[*:1] O=C(N1CCC[C@H]1c1ccc(Cl)cc1)[*:1]
CCn1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCn1ccc(n1)C(=O)N1CCC[C@@H]1[*:1]
COC(=O)CCC(=O)N[C@@H]1CCCc2ccccc21 COC(=O)C[*:1] O=C(C[*:1])N[C@@H]1CCCc2ccccc21
COC(=O)CCC(=O)N[C@@H]1CCCc2ccccc21 COC(=O)[*:1] O=C(CC[*:1])N[C@@H]1CCCc2ccccc21
COC(=O)CCC(=O)N[C@@H]1CCCc2ccccc21 COC(=O)CC[*:1] O=C(N[C@@H]1CCCc2ccccc21)[*:1]
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2nccs2)CC1 CC(=O)[*:1] O=C(CN1CCN(CC1)c1nccs1)N[C@H](Cc1ccccc1)[*:1]
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2nccs2)CC1 c1csc(n1)[*:1] CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(CC1)[*:1]
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2nccs2)CC1 c1ccc(cc1)C[*:1] CC(=O)[C@@H](NC(=O)CN1CCN(CC1)c1nccs1)[*:1]
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2nccs2)CC1 c1ccc(cc1)[*:1] CC(=O)[C@@H](C[*:1])NC(=O)CN1CCN(CC1)c1nccs1
Cc1ccc(CN(C(=O)COc2cccc([C@@H](C)O)c2)C2CC2)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](O)c1cccc(c1)OCC(=O)N(C1CC1)[*:1]
Cc1ccc(CN(C(=O)COc2cccc([C@@H](C)O)c2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)CN(C(=O)COc1cccc(c1)[C@@H](C)O)[*:1]
Cc1ccc(CN(C(=O)COc2cccc([C@@H](C)O)c2)C2CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](O)c1cccc(c1)OCC(=O)N(C[*:1])C1CC1
Cc1ccc(CN(C(=O)COc2cccc([C@@H](C)O)c2)C2CC2)cc1 C[C@@H](O)[*:1] Cc1ccc(cc1)CN(C(=O)COc1cccc(c1)[*:1])C1CC1
Cc1cccn2cc(C)[n+](CC(=O)c3ccc(I)cc3)c12 Ic1ccc(cc1)[*:1] Cc1cccn2cc(C)[n+](CC(=O)[*:1])c12
N#CCSc1cccc(C(=O)N[C@H]2CCCCc3ccccc32)c1 N#CCS[*:1] O=C(N[C@H]1CCCCc2ccccc21)c1cccc(c1)[*:1]
N#CCSc1cccc(C(=O)N[C@H]2CCCCc3ccccc32)c1 N#CC[*:1] O=C(N[C@H]1CCCCc2ccccc21)c1cccc(c1)S[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)S[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](C)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](C)Sc1ccccn1 Cc1noc(C)c1[*:1] C[C@@H](Sc1ccccn1)C(=O)N[C@H](C)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](C)S[*:1]
C[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccncc1 O=C(C[*:1])NC1CC1 C[C@@H](NC(=O)N1CCN(CC1)[*:1])c1ccncc1
C[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccncc1 C1CC1[*:1] C[C@@H](NC(=O)N1CCN(CC1)CC(=O)N[*:1])c1ccncc1
C[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccncc1 C[C@@H](c1ccncc1)[*:1] O=C(CN1CCN(CC1)C(=O)N[*:1])NC1CC1
C[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)CC(=O)NC1CC1)[*:1]
C[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccncc1 O=C(NC1CC1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)C[*:1])c1ccncc1
Cn1c(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc(Cl)c1Cl NC(=O)[*:1] Cn1c(cc(Cl)c1Cl)C(=O)N1c2ccccc2C[C@@H]1[*:1]
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)[N-]c1ccc(c(C)c1)[*:1])[N+](=O)[O-]
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[N+](=O)[O-])[N-]S(=O)(=O)c1cc(ccc1C)[*:1]
CC1(C)CC[NH+](CCOc2ccc(C(=O)[O-])cc2)C1 O=C([O-])[*:1] CC1(C)CC[NH+](CCOc2ccc(cc2)[*:1])C1
Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4snnc4C)C3)c2)c1 Cc1cccc(c1)[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)c1snnc1C)C[*:1]
Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4snnc4C)C3)c2)c1 Cc1nnsc1[*:1] Cc1cccc(c1)Cc1cc(C)nc(c1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4snnc4C)C3)c2)c1 Cc1cccc(c1)C[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)c1snnc1C)[*:1]
Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C O=C(Nc1ccccc1)N[*:1] Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](C(C)C)[*:1]
Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](NC(=O)N[*:1])C(C)C
Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C Cc1cccc(C)c1[*:1] CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)CC(=O)N[*:1]
Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C CC(C)[*:1] Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](NC(=O)Nc1ccccc1)[*:1]
C/[NH+]=C(\NCc1n[nH]c(-c2cccs2)n1)NCc1ccco1 c1coc(c1)[*:1] C/[NH+]=C(\NCc1n[nH]c(n1)-c1cccs1)NC[*:1]
C/[NH+]=C(\NCc1n[nH]c(-c2cccs2)n1)NCc1ccco1 c1csc(c1)[*:1] C/[NH+]=C(\NCc1n[nH]c(n1)[*:1])NCc1ccco1
C/[NH+]=C(\NCc1n[nH]c(-c2cccs2)n1)NCc1ccco1 c1coc(c1)C[*:1] C/[NH+]=C(\NCc1n[nH]c(n1)-c1cccs1)N[*:1]
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N[*:1]
Cc1nnc2ccc(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(F)c(F)c3)cn12 Fc1cccc(c1)[*:1] Cc1nnc2ccc(cn12)S(=O)(=O)N(C[*:1])c1ccc(F)c(F)c1
Cc1nnc2ccc(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(F)c(F)c3)cn12 Fc1ccc(cc1F)[*:1] Cc1nnc2ccc(cn12)S(=O)(=O)N(Cc1cccc(F)c1)[*:1]
Cc1nnc2ccc(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(F)c(F)c3)cn12 Cc1nnc2ccc(cn12)[*:1] O=S(=O)(N(Cc1cccc(F)c1)c1ccc(F)c(F)c1)[*:1]
Cc1nnc2ccc(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(F)c(F)c3)cn12 Fc1cccc(c1)C[*:1] Cc1nnc2ccc(cn12)S(=O)(=O)N(c1ccc(F)c(F)c1)[*:1]
CC[C@@H](C)Oc1cccc(NC(=O)[C@](C)(N)C(F)(F)F)c1 CC[C@@H](C)[*:1] C[C@](N)(C(=O)Nc1cccc(c1)O[*:1])C(F)(F)F
CC[C@@H](C)Oc1cccc(NC(=O)[C@](C)(N)C(F)(F)F)c1 CC[C@@H](C)O[*:1] C[C@](N)(C(=O)Nc1cccc(c1)[*:1])C(F)(F)F
CC[C@@H](C)Oc1cccc(NC(=O)[C@](C)(N)C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@@H](C)Oc1cccc(c1)NC(=O)[C@](C)(N)[*:1]
Cc1cc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)ccc1Br C1CN(CCO1)[*:1] Cc1cc(ccc1Br)S(=O)(=O)NC[C@@H](c1ccc(F)cc1)[*:1]
Cc1cc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)ccc1Br Fc1ccc(cc1)[*:1] Cc1cc(ccc1Br)S(=O)(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1cc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)ccc1Br Cc1cc(ccc1Br)[*:1] O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[*:1]
CCN[C@@]1(C#N)CCC[C@H](OCCC(C)C)C1 CC(C)CC[*:1] CCN[C@@]1(C#N)CCC[C@@H](C1)O[*:1]
CCN[C@@]1(C#N)CCC[C@H](OCCC(C)C)C1 CC(C)[*:1] CCN[C@@]1(C#N)CCC[C@@H](C1)OCC[*:1]
CCN[C@@]1(C#N)CCC[C@H](OCCC(C)C)C1 CC(C)C[*:1] CCN[C@@]1(C#N)CCC[C@@H](C1)OC[*:1]
CCN[C@@]1(C#N)CCC[C@H](OCCC(C)C)C1 CCN[*:1] CC(C)CCO[C@H]1CCC[C@](C#N)(C1)[*:1]
C[C@H]([NH2+][C@@H]1CCc2c(F)ccc(Br)c21)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H]([NH2+][C@@H]1CCc2c(F)ccc(Br)c21)[*:1]
CCNC(=O)CN(CC)c1cc(C)c([N+](=O)[O-])cn1 CCNC(=O)C[*:1] CCN(c1cc(C)c(cn1)[N+](=O)[O-])[*:1]
CCNC(=O)CN(CC)c1cc(C)c([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CCNC(=O)CN(CC)c1cc(C)c(cn1)[*:1]
CCNC(=O)CN(CC)c1cc(C)c([N+](=O)[O-])cn1 CCNC(=O)[*:1] CCN(C[*:1])c1cc(C)c(cn1)[N+](=O)[O-]
CN1C[C@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC1=O c1ccc(cc1)[*:1] CN1C[C@@H](CCC1=O)NC(=O)C[NH+](Cc1ccccc1)C[*:1]
CN1C[C@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC1=O c1ccc(cc1)C[*:1] CN1C[C@@H](CCC1=O)NC(=O)C[NH+](Cc1ccccc1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)NCc2ccccc2COC)CC1 CCOC(=O)[*:1] COCc1ccccc1CNC(=O)N1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)NCc2ccccc2COC)CC1 COC[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)NCc1ccccc1[*:1]
CCOC(=O)[C@@H](c1ccccc1Cl)c1nnc(C)n1CC Clc1ccccc1[*:1] CCOC(=O)[C@@H](c1nnc(C)n1CC)[*:1]
CCOC(=O)[C@@H](c1ccccc1Cl)c1nnc(C)n1CC CCOC(=O)[*:1] CCn1c(C)nnc1[C@H](c1ccccc1Cl)[*:1]
CC[C@H](NC(=O)NC[C@H]1CCC[C@@H]1O)c1ccc(F)cc1F O[C@H]1CCC[C@@H]1C[*:1] CC[C@H](NC(=O)N[*:1])c1ccc(F)cc1F
CC[C@H](NC(=O)NC[C@H]1CCC[C@@H]1O)c1ccc(F)cc1F O[C@H]1CCC[C@@H]1[*:1] CC[C@H](NC(=O)NC[*:1])c1ccc(F)cc1F
CC[C@@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1 C1CC1[*:1] CC[C@@H](NC(=O)Nc1cccc(c1)NC(=O)[*:1])c1ccc(Cl)cc1
CC[C@@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1 O=C(N[*:1])C1CC1 CC[C@@H](NC(=O)Nc1cccc(c1)[*:1])c1ccc(Cl)cc1
CC[C@@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@@H](NC(=O)Nc1cccc(c1)NC(=O)C1CC1)[*:1]
O=C([O-])c1ccc(/N=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2Cc2ccccc2)cc1 O=C([O-])[*:1] O=C1[C@H](Cc2ccc(F)cc2)S/C(=N\c2ccc(cc2)[*:1])N1Cc1ccccc1
O=C([O-])c1ccc(/N=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C([O-])c1ccc(cc1)/N=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1[*:1]
O=C([O-])c1ccc(/N=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2Cc2ccccc2)cc1 Fc1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)/N=C1\S[C@@H](C[*:1])C(=O)N1Cc1ccccc1
O=C([O-])c1ccc(/N=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)/N=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1C[*:1]
O=C([O-])c1ccc(/N=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2Cc2ccccc2)cc1 Fc1ccc(cc1)C[*:1] O=C([O-])c1ccc(cc1)/N=C1\S[C@@H](C(=O)N1Cc1ccccc1)[*:1]
CCOc1cccc(/[NH+]=c2\oc3ccc([N+](=O)[O-])cc3cc2C(N)=S)c1 O=[N+]([O-])[*:1] CCOc1cccc(c1)/[NH+]=c1\oc2ccc(cc2cc1C(N)=S)[*:1]
CCOc1cccc(/[NH+]=c2\oc3ccc([N+](=O)[O-])cc3cc2C(N)=S)c1 NC(=S)[*:1] CCOc1cccc(c1)/[NH+]=c1\oc2ccc(cc2cc1[*:1])[N+](=O)[O-]
CCOc1cccc(/[NH+]=c2\oc3ccc([N+](=O)[O-])cc3cc2C(N)=S)c1 CCO[*:1] NC(=S)c1cc2cc(ccc2o/c1=[NH+]\c1cccc(c1)[*:1])[N+](=O)[O-]
O=C([O-])CSc1cc(-c2ccccc2)nc(-c2ccccc2F)n1 c1ccc(cc1)[*:1] O=C([O-])CSc1cc(nc(n1)-c1ccccc1F)[*:1]
O=C([O-])CSc1cc(-c2ccccc2)nc(-c2ccccc2F)n1 O=C([O-])[*:1] Fc1ccccc1-c1nc(cc(n1)-c1ccccc1)SC[*:1]
O=C([O-])CSc1cc(-c2ccccc2)nc(-c2ccccc2F)n1 Fc1ccccc1[*:1] O=C([O-])CSc1cc(nc(n1)[*:1])-c1ccccc1
O=C([O-])CSc1cc(-c2ccccc2)nc(-c2ccccc2F)n1 O=C([O-])C[*:1] Fc1ccccc1-c1nc(cc(n1)-c1ccccc1)S[*:1]
COc1ccc(-c2nc(CS(=O)(=O)c3nc4ccccc4[n-]3)no2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(Cc1noc(n1)[*:1])c1nc2ccccc2[n-]1
N#Cc1cc(NC(=O)c2ccccc2N2CCCC2=O)ccc1Cl O=C1CCCN1[*:1] N#Cc1cc(ccc1Cl)NC(=O)c1ccccc1[*:1]
C[C@H](NC(=O)NOCc1ccccc1)c1nc(C(C)(C)C)cs1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NOC[*:1])c1nc(cs1)C(C)(C)C
C[C@H](NC(=O)NOCc1ccccc1)c1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[C@H](NC(=O)NOCc1ccccc1)c1nc(cs1)[*:1]
C[C@H](NC(=O)NOCc1ccccc1)c1nc(C(C)(C)C)cs1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)NO[*:1])c1nc(cs1)C(C)(C)C
O=C(CCCN1C(=O)c2ccccc2C1=O)NCC#CCOc1ccccc1F Fc1ccccc1O[*:1] O=C(CCCN1C(=O)c2ccccc2C1=O)NCC#CC[*:1]
O=C(CCCN1C(=O)c2ccccc2C1=O)NCC#CCOc1ccccc1F Fc1ccccc1OC[*:1] O=C(CCCN1C(=O)c2ccccc2C1=O)NCC#C[*:1]
O=C(CCCN1C(=O)c2ccccc2C1=O)NCC#CCOc1ccccc1F Fc1ccccc1[*:1] O=C(CCCN1C(=O)c2ccccc2C1=O)NCC#CCO[*:1]
N#C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)CCN1Cc1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1CN(CCN1C[*:1])C(=O)c1cccc2OCCOc21
N#C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)CCN1Cc1ccccc1 c1ccc(cc1)C[*:1] N#C[C@@H]1CN(CCN1[*:1])C(=O)c1cccc2OCCOc21
C[C@](N)(C(=O)N(CCC#N)Cc1cccnc1)C(F)(F)F N#CC[*:1] C[C@](N)(C(=O)N(Cc1cccnc1)C[*:1])C(F)(F)F
C[C@](N)(C(=O)N(CCC#N)Cc1cccnc1)C(F)(F)F c1cncc(c1)C[*:1] C[C@](N)(C(=O)N(CCC#N)[*:1])C(F)(F)F
C[C@](N)(C(=O)N(CCC#N)Cc1cccnc1)C(F)(F)F c1cncc(c1)[*:1] C[C@](N)(C(=O)N(CCC#N)C[*:1])C(F)(F)F
C[C@](N)(C(=O)N(CCC#N)Cc1cccnc1)C(F)(F)F N#CCC[*:1] C[C@](N)(C(=O)N(Cc1cccnc1)[*:1])C(F)(F)F
C[C@](N)(C(=O)N(CCC#N)Cc1cccnc1)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(C(=O)N(CCC#N)Cc1cccnc1)[*:1]
CCOC(=O)[C@@]1(N)CC[C@@H](SCc2cccc(C)c2)C1 CCOC(=O)[*:1] Cc1cccc(c1)CS[C@@H]1CC[C@](N)(C1)[*:1]
C=CCC/C([O-])=N/S(=O)(=O)c1cccnc1 C=CC[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1cccnc1
C=CCC/C([O-])=N/S(=O)(=O)c1cccnc1 C=CCC[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1cccnc1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccncc1)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccncc1 CC(C)(C)OC(=O)N[*:1] C[C@@H](C(=O)N[C@H](c1ccccc1)c1ccncc1)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1ccccc1)c1ccncc1 CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])C(=O)N[C@H](c1ccccc1)c1ccncc1
O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(Cl)cc1 c1cnn(c1)C[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(Cl)cc1
O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(Cl)cc1 c1cnn(c1)[*:1] O=C(Nc1cccc(c1)C[*:1])c1ccc(Cl)cc1
O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)Cn1cccn1)[*:1]
CCOC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)o1 c1cc(cs1)[*:1] CCOC(=O)c1ccc(CN2C(=O)N[C@@](C)(C2=O)[*:1])o1
CCOC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)o1 CCOC(=O)[*:1] C[C@]1(NC(=O)N(Cc2ccc(o2)[*:1])C1=O)c1ccsc1
Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)n1 Fc1ccc(cc1)[*:1] Cc1cccc(n1)NC(=O)c1nn(c2CCCc12)[*:1]
Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1nn(-c2ccc(F)cc2)c2CCCc12
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccccn2)CC1 CC(C)(C)NC(=O)[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])c1ccccn1
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccccn2)CC1 CC(C)(C)[*:1] O=C(C[NH+]1CCC(CC1)CNC(=O)c1ccccn1)N[*:1]
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccccn2)CC1 CC(C)(C)NC(=O)C[*:1] O=C(NCC1CC[NH+](CC1)[*:1])c1ccccn1
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccccn2)CC1 c1ccc(nc1)[*:1] CC(C)(C)NC(=O)C[NH+]1CCC(CC1)CNC(=O)[*:1]
CC1=CC[C@@H](/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)[C@H](C)C1 c1ccc(cc1)[*:1] CC1=CC[C@@H](/C=N/NC(=O)CNC(=O)C(c2ccccc2)[*:1])[C@H](C)C1
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C)o3)sc2c1 Cc1ccc(o1)[*:1] COc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1[*:1]
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C)o3)sc2c1 COc1ccc(cc1C)[*:1] COc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(C)o1
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C)o3)sc2c1 COc1ccc2nc(sc2c1)[*:1] COc1ccc(cc1C)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(C)o1)[*:1]
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C)o3)sc2c1 COc1ccc(cc1C)C(=O)[*:1] COc1ccc2nc(sc2c1)N1C(=O)C([O-])=C([C@@H]1c1ccc(C)o1)[*:1]
O=C(NCCC(=O)N1CCOc2ccccc2C1)c1ccc[nH]c1=O O=c1[nH]cccc1[*:1] O=C(CCNC(=O)[*:1])N1CCOc2ccccc2C1
CC[C@H](NC(=O)COc1ccccc1)C(=O)OC c1ccc(cc1)[*:1] CC[C@H](NC(=O)CO[*:1])C(=O)OC
CC[C@H](NC(=O)COc1ccccc1)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)COc1ccccc1)[*:1]
O=C(NC1COC1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NC1COC1)c1ccc(cc1)O[*:1]
O=C(NC1COC1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(NC1COC1)c1ccc(cc1)[*:1]
O=C(NC1COC1)c1ccc(OC(F)(F)F)cc1 C1OCC1[*:1] O=C(N[*:1])c1ccc(cc1)OC(F)(F)F
N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1ccc(Br)s1 Fc1ccc(cc1)[*:1] N#CC1=C(N)Oc2n[nH]c(c2[C@@H]1c1ccc(Br)s1)[*:1]
N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1ccc(Br)s1 Brc1ccc(s1)[*:1] N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@H]1[*:1]
COc1cc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2N=CNC2=N3)cc(OC)c1OC Fc1ccccc1[*:1] COc1cc(cc(OC)c1OC)[C@@H]1Oc2ccccc2C2N=C3NC=NN3[C@@H](C=21)[*:1]
COc1cc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2N=CNC2=N3)cc(OC)c1OC COc1cc(cc(OC)c1OC)[*:1] Fc1ccccc1[C@H]1C2=C(N=C3NC=NN31)c1ccccc1O[C@H]2[*:1]
CSc1ncccc1C(=O)NCCOc1ccccc1 c1ccc(cc1)[*:1] CSc1ncccc1C(=O)NCCO[*:1]
CCC[NH2+][C@@H](CC)c1cncc(Br)c1 CCC[*:1] CC[C@H]([NH2+][*:1])c1cncc(Br)c1
Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)NC(=O)[C@@H]1CCCN1C(=O)[*:1]
C[C@H]1CN(CCC2CCN(C(=O)N[C@@H]3CCC[C@H]3C)CC2)C[C@@H](C)O1 C[C@@H]1CCC[C@H]1[*:1] C[C@H]1CN(CCC2CCN(CC2)C(=O)N[*:1])C[C@@H](C)O1
C[C@H]1CN(CCC2CCN(C(=O)N[C@@H]3CCC[C@H]3C)CC2)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)[*:1] C[C@@H]1CCC[C@H]1NC(=O)N1CCC(CC1)CC[*:1]
CCOC(=O)c1sc(NC(=O)c2cn(C)nc2C(C)(C)C)nc1C CCOC(=O)[*:1] Cc1nc(NC(=O)c2cn(C)nc2C(C)(C)C)sc1[*:1]
CCOC(=O)c1sc(NC(=O)c2cn(C)nc2C(C)(C)C)nc1C CC(C)(C)[*:1] CCOC(=O)c1sc(nc1C)NC(=O)c1cn(C)nc1[*:1]
CC(C)N(C)c1cccc(NC(=O)C(=O)N(C)Cc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] CC(C)N(C)c1cccc(c1)NC(=O)C(=O)N(C)C[*:1]
CC(C)N(C)c1cccc(NC(=O)C(=O)N(C)Cc2cnn(C)c2)c1 CC(C)[*:1] CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1cccc(c1)N(C)[*:1]
CC(C)N(C)c1cccc(NC(=O)C(=O)N(C)Cc2cnn(C)c2)c1 CC(C)N(C)[*:1] CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1cccc(c1)[*:1]
CC(C)N(C)c1cccc(NC(=O)C(=O)N(C)Cc2cnn(C)c2)c1 Cn1cc(cn1)C[*:1] CC(C)N(C)c1cccc(c1)NC(=O)C(=O)N(C)[*:1]
Cc1cc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)ccc1N1CCCC1=O CC(C)[*:1] Cc1cc(ccc1N1CCCC1=O)NS(=O)(=O)c1ccc(cc1)OC[*:1]
Cc1cc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)ccc1N1CCCC1=O CC(C)CO[*:1] Cc1cc(ccc1N1CCCC1=O)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)ccc1N1CCCC1=O CC(C)C[*:1] Cc1cc(ccc1N1CCCC1=O)NS(=O)(=O)c1ccc(cc1)O[*:1]
Cc1cc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)ccc1N1CCCC1=O O=C1CCCN1[*:1] Cc1cc(ccc1[*:1])NS(=O)(=O)c1ccc(cc1)OCC(C)C
C[C@@H](c1ccc(C(C)(C)C)cc1)[C@@H](C)O CC(C)(C)[*:1] C[C@@H](c1ccc(cc1)[*:1])[C@@H](C)O
C[C@@H](c1ccc(C(C)(C)C)cc1)[C@@H](C)O C[C@@H]([C@@H](C)O)[*:1] CC(C)(C)c1ccc(cc1)[*:1]
C[C@@H](c1ccc(C(C)(C)C)cc1)[C@@H](C)O C[C@@H](O)[*:1] C[C@@H](c1ccc(cc1)C(C)(C)C)[*:1]
O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)[C@H]1CC=CC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1sc2CCCCc2c1C(=O)N1CCCCC1)[C@H]1CC=CC[C@@H]1[*:1]
O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)[C@H]1CC=CC[C@H]1C(=O)[O-] O=C(N1CCCCC1)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])[C@H]1CC=CC[C@H]1C(=O)[O-]
Cc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)C(=O)CSc1nnc(n1C)[*:1]
Cc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C)cc1 Cc1ccc(cc1)[*:1] Cn1c(nnc1-c1ccccc1Cl)SCC(=O)[*:1]
CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CC(C)(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)[*:1]
CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCOCC2)cc1 CC(C)(C)[*:1] O=C(CN1CCOCC1)N1CCC[C@H]1c1ccc(cc1)[*:1]
CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(C)(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)C[*:1]
Cc1cc(-n2c(C)cc(C(=O)COC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)COC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(C)n1[*:1]
CCCN1CCN(C(=O)[C@H]2CCC(=O)N2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O CCC[*:1] O=C1CC[C@@H](N1)C(=O)N1CCN(C(=O)[C@@H](Cc2ccc(cc2)-c2cccs2)C1)[*:1]
CCCN1CCN(C(=O)[C@H]2CCC(=O)N2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O c1csc(c1)[*:1] CCCN1CCN(C[C@H](Cc2ccc(cc2)[*:1])C1=O)C(=O)[C@H]1CCC(=O)N1
CCCn1ncnc1C[C@H]([NH3+])[C@@H]1CN(CC)CCO1 CCC[*:1] CCN1CCO[C@@H](C1)[C@@H]([NH3+])Cc1ncnn1[*:1]
COc1cc(C(=O)NN=Cc2ccc(F)c(Br)c2)cc(OC)c1OC Fc1ccc(cc1Br)[*:1] COc1cc(cc(OC)c1OC)C(=O)NN=C[*:1]
CCn1c(C2CC2)nn(C[NH+]2CCN(c3ccccc3OC)CC2)c1=S C1CC1[*:1] CCn1c(nn(C[NH+]2CCN(CC2)c2ccccc2OC)c1=S)[*:1]
CCn1c(C2CC2)nn(C[NH+]2CCN(c3ccccc3OC)CC2)c1=S COc1ccccc1[*:1] CCn1c(nn(C[NH+]2CCN(CC2)[*:1])c1=S)C1CC1
O=C(COc1cc(Cl)cc(Cl)c1)Nc1nccs1 c1csc(n1)[*:1] O=C(COc1cc(Cl)cc(Cl)c1)N[*:1]
Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2Cc2cccc3ccccc23)n(C)c1=O c1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(C[NH+](C)[*:1])n2Cc2cccc3ccccc23)n(C)c1=O
Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2Cc2cccc3ccccc23)n(C)c1=O c1ccc2c(cccc2c1)C[*:1] Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2Cc2cccc3ccccc23)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(C[NH+](C)C[*:1])n2Cc2cccc3ccccc23)n(C)c1=O
Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2Cc2cccc3ccccc23)n(C)c1=O c1ccc2c(cccc2c1)[*:1] Cn1c(=O)c2c(nc(C[NH+](C)Cc3ccccc3)n2C[*:1])n(C)c1=O
CSc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 CSc1ccc(cc1)[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)N[*:1]
CSc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 C1CC1[*:1] CSc1ccc(cc1)NC(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
CSc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 CC(C)[*:1] CSc1ccc(cc1)NC(=O)c1cc(nc2c1cnn2[*:1])C1CC1
CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)N4CCCCC4)CC3)cc(C)c2c1 O=C(N1CCCCC1)[*:1] CC(=O)Nc1ccc2[nH+]c(cc(C)c2c1)N1CCC(CC1)[*:1]
CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)N4CCCCC4)CC3)cc(C)c2c1 CC(=O)N[*:1] Cc1cc([nH+]c2ccc(cc12)[*:1])N1CCC(CC1)C(=O)N1CCCCC1
O=C(c1ccccc1CSc1nc2ccccc2[nH]1)N1CCN(C[C@@H]2CCCO2)CC1 c1ccc2[nH]c(nc2c1)S[*:1] O=C(c1ccccc1C[*:1])N1CCN(CC1)C[C@@H]1CCCO1
O=C(c1ccccc1CSc1nc2ccccc2[nH]1)N1CCN(C[C@@H]2CCCO2)CC1 c1ccc2[nH]c(nc2c1)[*:1] O=C(c1ccccc1CS[*:1])N1CCN(CC1)C[C@@H]1CCCO1
Cc1c(C(=O)NCC(C)(C)c2cccs2)cnn1-c1ccncc1 c1csc(c1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)NCC(C)(C)[*:1]
Cc1c(C(=O)NCC(C)(C)c2cccs2)cnn1-c1ccncc1 CC(C)(c1cccs1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)NC[*:1]
Cc1c(C(=O)NCC(C)(C)c2cccs2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)NCC(C)(C)c1cccs1
[NH3+]Cc1ccc(OCc2nc(C3CC3)no2)cn1 C1CC1[*:1] [NH3+]Cc1ccc(cn1)OCc1nc(no1)[*:1]
CCC[NH2+][C@H]([C@H](C)CC)C(C)(C)[NH+]1CCCCCC1 CCC[*:1] CC[C@@H](C)[C@@H]([NH2+][*:1])C(C)(C)[NH+]1CCCCCC1
CCC[NH2+][C@H]([C@H](C)CC)C(C)(C)[NH+]1CCCCCC1 CC[C@@H](C)[*:1] CCC[NH2+][C@H](C(C)(C)[NH+]1CCCCCC1)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC=O CC(C)[*:1] C[C@@H]1CC[C@@H]([C@H](C1)OC=O)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC=O O=CO[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1[*:1]
COC(=O)C(C)(C)CN1C(=O)C(=O)c2cc(F)cc(Br)c21 COC(=O)C(C)(C)[*:1] O=C1C(=O)N(C[*:1])c2c(Br)cc(F)cc21
COC(=O)C(C)(C)CN1C(=O)C(=O)c2cc(F)cc(Br)c21 COC(=O)[*:1] CC(C)(CN1C(=O)C(=O)c2cc(F)cc(Br)c21)[*:1]
COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC3)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC3)cc1 COc1ccc(cc1OC)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)N[*:1]
CCOc1cccc2cc(C(=O)Nc3cc(C)ccc3C)oc12 CCO[*:1] Cc1ccc(C)c(c1)NC(=O)c1cc2cccc(c2o1)[*:1]
Cc1ccc2nc([C@H]3CCCN(C(=O)Nc4ccc5[nH]nnc5c4)C3)[nH]c2c1 c1cc2[nH]nnc2cc1[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN(C1)C(=O)N[*:1]
C=CCOc1ccc([C@@H]2NC(=O)c3ccccc3N2C)cc1 C=CC[*:1] CN1c2ccccc2C(=O)N[C@H]1c1ccc(cc1)O[*:1]
C=CCOc1ccc([C@@H]2NC(=O)c3ccccc3N2C)cc1 C=CCO[*:1] CN1c2ccccc2C(=O)N[C@H]1c1ccc(cc1)[*:1]
O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 c1ccc(nc1)[*:1] O=C(Nc1ccc(F)cc1)NC1CCN(CC1)C(=O)CCc1nc(no1)[*:1]
O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 Fc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccn1)N[*:1]
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)NNC(=O)[*:1])c1ccc(Cl)cc1
C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO1)[*:1]
Cn1cccc1C(=O)C(=O)NCc1ccco1 c1coc(c1)[*:1] Cn1cccc1C(=O)C(=O)NC[*:1]
CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1[*:1]
CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(CS(=O)(=O)[*:1])NC(=O)N[C@H]1c1ccccc1
CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1ccccc1 CCOC(=O)[*:1] O=C1NC(CS(=O)(=O)c2ccccc2)=C([C@@H](N1)c1ccccc1)[*:1]
CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1ccccc1 O=S(=O)(c1ccccc1)[*:1] CCOC(=O)C1=C(C[*:1])NC(=O)N[C@H]1c1ccccc1
Cc1cccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])c1 Cc1cccc(c1)[*:1] O=C(N/N=C\c1ccccc1[N+](=O)[O-])[*:1]
Cc1cccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cccc(c1)C(=O)N/N=C\c1ccccc1[*:1]
COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OC)c1 COCC[*:1] COc1cc(ccc1O)[C@@H]1C(C(C)=O)=C(O)C(=O)N1C[*:1]
COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OC)c1 COC[*:1] COc1cc(ccc1O)[C@@H]1C(C(C)=O)=C(O)C(=O)N1CC[*:1]
COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OC)c1 COCCC[*:1] COc1cc(ccc1O)[C@@H]1C(C(C)=O)=C(O)C(=O)N1[*:1]
COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OC)c1 CC(=O)[*:1] COCCCN1C(=O)C(O)=C([C@H]1c1ccc(O)c(c1)OC)[*:1]
CC(=O)c1cccc(Nc2ncnc(Nc3cccc4ncccc34)c2N)c1 CC(=O)c1cccc(c1)[*:1] Nc1c(ncnc1N[*:1])Nc1cccc2ncccc12
CC(=O)c1cccc(Nc2ncnc(Nc3cccc4ncccc34)c2N)c1 CC(=O)[*:1] Nc1c(ncnc1Nc1cccc2ncccc12)Nc1cccc(c1)[*:1]
Cc1ccc(NC(=O)C[C@H]2S/C(=N\N=C3/CCCc4ccccc43)NC2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(C[C@H]1S/C(=N\N=C2/CCCc3ccccc32)NC1=O)N[*:1]
O=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CSc1nc(=O)[nH]c2CCCCc12)Nc1cc(cc(c1)[*:1])C(F)(F)F
Cc1cnn(CC[NH2+]CCCc2nc3ccccc3o2)c1 Cc1cnn(c1)C[*:1] c1ccc2oc(CCC[NH2+]C[*:1])nc2c1
Cc1cnn(CC[NH2+]CCCc2nc3ccccc3o2)c1 Cc1cnn(c1)[*:1] c1ccc2oc(CCC[NH2+]CC[*:1])nc2c1
CNC(=O)c1ccc(COc2ccc(C#N)cc2Cl)cc1 CNC(=O)[*:1] N#Cc1ccc(OCc2ccc(cc2)[*:1])c(Cl)c1
COC[C@H](C)NC(=O)Cn1c(-c2cccs2)cc2cccnc21 c1csc(c1)[*:1] COC[C@H](C)NC(=O)Cn1c(cc2cccnc21)[*:1]
COC[C@H](C)NC(=O)Cn1c(-c2cccs2)cc2cccnc21 COC[C@H](C)[*:1] O=C(Cn1c(cc2cccnc21)-c1cccs1)N[*:1]
COC[C@H](C)NC(=O)Cn1c(-c2cccs2)cc2cccnc21 COC[*:1] C[C@H](NC(=O)Cn1c(cc2cccnc21)-c1cccs1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)OCC(=O)NCc1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)OCC(=O)NCc1ccc(F)cc1
C[C@@H](Oc1ccccc1)C(=O)OCC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@@H](Oc1ccccc1)C(=O)OCC(=O)N[*:1]
C[C@@H](Oc1ccccc1)C(=O)OCC(=O)NCc1ccc(F)cc1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)OCC(=O)NCc1ccc(F)cc1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)OCC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1)C(=O)OCC(=O)NC[*:1]
CCOc1cccc(C(=O)Nc2nc(-c3ccccc3)ns2)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)C(=O)Nc1nc(ns1)[*:1]
CCOc1cccc(C(=O)Nc2nc(-c3ccccc3)ns2)c1 CCO[*:1] O=C(Nc1nc(ns1)-c1ccccc1)c1cccc(c1)[*:1]
O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1ccccc1-n1cncn1 c1ncn(n1)[*:1] O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1ccccc1[*:1]
CC(C)[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
CC(C)[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)[C@@H](C)[NH2+]C1CCN(CC1)C(=O)O[*:1]
N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2ccc(Cl)cc2)cs1 FC(F)O[*:1] N#C/C(=C\Nc1ccccc1[*:1])c1nc(cs1)-c1ccc(Cl)cc1
N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2ccc(Cl)cc2)cs1 Clc1ccc(cc1)[*:1] N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(cs1)[*:1]
N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2ccc(Cl)cc2)cs1 FC(F)[*:1] N#C/C(=C\Nc1ccccc1O[*:1])c1nc(cs1)-c1ccc(Cl)cc1
C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)NC1(C#N)CCCCC1 N#CC1(CCCCC1)[*:1] C[C@H](Sc1nnc2c(Cl)cc(cn12)C(F)(F)F)C(=O)N[*:1]
C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)NC1(C#N)CCCCC1 FC(F)(F)[*:1] C[C@H](Sc1nnc2c(Cl)cc(cn12)[*:1])C(=O)NC1(C#N)CCCCC1
COc1cc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)cc(OC)c1 Cc1ccc(cc1C)[*:1] COc1cc(cc(c1)OC)NC(=O)CCC(=O)[*:1]
CCC(=O)N1CC[C@@H]([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 FC(F)(F)[*:1] CCC(=O)N1CC[C@H](C1)[NH2+][C@H](c1cccc(c1)[*:1])C1CC1
CCC(=O)N1CC[C@@H]([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 C1CC1[*:1] CCC(=O)N1CC[C@H](C1)[NH2+][C@H](c1cccc(c1)C(F)(F)F)[*:1]
Cc1cnc2nc(C[C@@H]3CCCO3)[nH]c2c1 C1CO[C@@H](C1)[*:1] Cc1cnc2nc(C[*:1])[nH]c2c1
CC(C)C[C@H](CCO)CNC(=O)N1CCC[C@H]1c1ccc[nH]1 CC(C)C[*:1] O=C(NC[C@@H](CCO)[*:1])N1CCC[C@H]1c1ccc[nH]1
CC(C)C[C@H](CCO)CNC(=O)N1CCC[C@H]1c1ccc[nH]1 OCC[*:1] CC(C)C[C@H](CNC(=O)N1CCC[C@H]1c1ccc[nH]1)[*:1]
CC(C)C[C@H](CCO)CNC(=O)N1CCC[C@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] CC(C)C[C@H](CCO)CNC(=O)N1CCC[C@@H]1[*:1]
CC(C)C[C@H](CCO)CNC(=O)N1CCC[C@H]1c1ccc[nH]1 CC(C)[*:1] O=C(NC[C@@H](CCO)C[*:1])N1CCC[C@H]1c1ccc[nH]1
CCC[NH2+][C@@H](C)c1ccn(C[C@H](C)O)c1 C[C@H](O)[*:1] CCC[NH2+][C@@H](C)c1ccn(c1)C[*:1]
CCC[NH2+][C@@H](C)c1ccn(C[C@H](C)O)c1 C[C@H](O)C[*:1] CCC[NH2+][C@@H](C)c1ccn(c1)[*:1]
CCC[NH2+][C@@H](C)c1ccn(C[C@H](C)O)c1 CCC[*:1] C[C@H](O)Cn1ccc(c1)[C@H](C)[NH2+][*:1]
CC[NH2+][C@H](C)c1ccc(Sc2nnnn2C2CC2)cc1 C1CC1[*:1] CC[NH2+][C@H](C)c1ccc(cc1)Sc1nnnn1[*:1]
NNc1cc(-c2nc(-c3ccccc3)cs2)ccn1 c1ccc(cc1)[*:1] NNc1cc(ccn1)-c1nc(cs1)[*:1]
CCCCN1C(=O)N[C@@H]2CCCCC[C@H]2C1=O CCCC[*:1] O=C1N[C@@H]2CCCCC[C@H]2C(=O)N1[*:1]
CCCCN1C(=O)N[C@@H]2CCCCC[C@H]2C1=O CCC[*:1] O=C1N[C@@H]2CCCCC[C@H]2C(=O)N1C[*:1]
CC(=O)N1CCC([NH+](CCO)C2CC2)CC1 OCC[*:1] CC(=O)N1CCC(CC1)[NH+](C1CC1)[*:1]
CC(=O)N1CCC([NH+](CCO)C2CC2)CC1 C1CC1[*:1] CC(=O)N1CCC(CC1)[NH+](CCO)[*:1]
O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C2=NC=NC3=NC=N[C@@H]32)CC1 Fc1ccc(cc1Cl)[*:1] O=C(N[*:1])C1CCN(CC1)C1=NC=NC2=NC=N[C@@H]21
C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)[C@H](O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)C(C)(C)C)[C@H](O)[*:1]
C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)[C@H](O)c1ccc(F)c(F)c1 CC(C)(C)[*:1] C[C@@H]([NH2+]C1CCN(CC1)C(=O)[*:1])[C@H](O)c1ccc(F)c(F)c1
CC(=O)Nc1ccc(Oc2nc(C[NH+]3CCC(C)CC3)nc3sc(C)c(C)c23)cc1 CC(=O)N[*:1] Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(Oc3ccc(cc3)[*:1])c2c1C
CC(=O)Nc1ccc(Oc2nc(C[NH+]3CCC(C)CC3)nc3sc(C)c(C)c23)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(O[*:1])c2c1C
CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)c1cccc(F)c1 O=C(N[*:1])c1ccco1 CC(C)[C@H](C(=O)O[C@@H](C)c1cccc(F)c1)[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)c1cccc(F)c1 c1coc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)O[C@@H](C)c1cccc(F)c1
CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)c1cccc(F)c1 CC(C)[*:1] C[C@H](OC(=O)[C@@H](NC(=O)c1ccco1)[*:1])c1cccc(F)c1
Cc1ccccc1NC(=O)CSc1nc(=O)n(CC[NH+](C)C)c2c1CCCC2 Cc1ccccc1[*:1] C[NH+](C)CCn1c2CCCCc2c(nc1=O)SCC(=O)N[*:1]
C[C@@]1(c2ccc(F)c(F)c2)C[NH+]=C(N)N1C1CCCC1 C1CCC(C1)[*:1] C[C@]1(C[NH+]=C(N)N1[*:1])c1ccc(F)c(F)c1
C[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1)c1ccc(F)c(F)c1 CC(C)(C)[*:1] C[C@H](CNC(=O)C(=O)Nc1cc(on1)[*:1])c1ccc(F)c(F)c1
C[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](CNC(=O)C(=O)Nc1cc(on1)C(C)(C)C)[*:1]
COc1ccc(F)cc1NC(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] COc1ccc(F)cc1NC(=O)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(F)cc1NC(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 COc1ccc(F)cc1[*:1] Cc1noc(C)c1CC(=O)N1CCN(CC1)C(=O)N[*:1]
COc1ccc(F)cc1NC(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 Cc1noc(C)c1C[*:1] COc1ccc(F)cc1NC(=O)N1CCN(CC1)C(=O)[*:1]
O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)N2CCCC[C@@H]12 FC(F)(F)[*:1] O=C1N[C@@H](c2ccc(cc2)[*:1])N2CCCC[C@@H]12
CCC[C@H](S)c1ccccc1 CCC[*:1] S[C@H](c1ccccc1)[*:1]
COCC[NH+]1[C@H](C)CN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1C COCC[*:1] C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3OCCOc3c2)C[C@@H](C)[NH+]1[*:1]
COCC[NH+]1[C@H](C)CN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1C COC[*:1] C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3OCCOc3c2)C[C@@H](C)[NH+]1C[*:1]
CCCC[C@@H]1C=CCN1C(=O)c1ccc(N2CC(=O)NC2=O)cc1 O=C1CN(C(=O)N1)[*:1] CCCC[C@@H]1C=CCN1C(=O)c1ccc(cc1)[*:1]
CCCC[C@@H]1C=CCN1C(=O)c1ccc(N2CC(=O)NC2=O)cc1 CCC[*:1] O=C1CN(C(=O)N1)c1ccc(cc1)C(=O)N1CC=C[C@H]1C[*:1]
CCCC[C@@H]1C=CCN1C(=O)c1ccc(N2CC(=O)NC2=O)cc1 CCCC[*:1] O=C1CN(C(=O)N1)c1ccc(cc1)C(=O)N1CC=C[C@H]1[*:1]
C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1C[*:1]
C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1[*:1]
CCCN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(CCl)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(Nc1ccccc1O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1 Oc1ccccc1[*:1] O=C(N[*:1])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1
O=C(Nc1ccccc1O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Nc1ccccc1O)[C@H]1CC=CC[C@H]1C(=O)N[*:1]
CCOC(=O)C1(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(CC1)C(=O)N(C)[C@H]1CCCN(C1=O)[*:1]
CCOC(=O)C1(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)CC1 CCOC(=O)[*:1] CN(C(=O)C1(CC1)[*:1])[C@H]1CCCN(C1=O)c1ccccc1
CCOC(=O)C1(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)CC1 CCOC(=O)C1(CC1)[*:1] CN(C(=O)[*:1])[C@H]1CCCN(C1=O)c1ccccc1
CN(C)c1[nH+]c(N2CCN(c3ccccc3)CC2)c(C#N)c(=O)o1 CN(C)[*:1] N#Cc1c([nH+]c(oc1=O)[*:1])N1CCN(CC1)c1ccccc1
CN(C)c1[nH+]c(N2CCN(c3ccccc3)CC2)c(C#N)c(=O)o1 c1ccc(cc1)[*:1] CN(C)c1[nH+]c(c(C#N)c(=O)o1)N1CCN(CC1)[*:1]
CC(C)(C)[C@@H](CBr)CN1C(=O)C(C)(C)S1(=O)=O CC(C)(C)[*:1] CC1(C)C(=O)N(C[C@H](CBr)[*:1])S1(=O)=O
COc1cccc([C@H](NC(=O)/C=C/c2c(F)cccc2Cl)c2nccn2C)c1 Fc1cccc(Cl)c1[*:1] COc1cccc(c1)[C@H](NC(=O)C=C[*:1])c1nccn1C
COc1cccc([C@H](NC(=O)/C=C/c2c(F)cccc2Cl)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@H](NC(=O)/C=C/c1c(F)cccc1Cl)[*:1]
COc1cccc([C@H](NC(=O)/C=C/c2c(F)cccc2Cl)c2nccn2C)c1 COc1cccc(c1)[*:1] Cn1ccnc1[C@@H](NC(=O)/C=C/c1c(F)cccc1Cl)[*:1]
Cc1ccc(CCCC(=O)NNc2cccnc2Cl)s1 Cc1ccc(s1)[*:1] O=C(CCC[*:1])NNc1cccnc1Cl
CCN(Cc1cccc(NC(=O)N[C@@H](C)CO)c1)C(C)=O C[C@@H](CO)[*:1] CCN(Cc1cccc(c1)NC(=O)N[*:1])C(C)=O
CCN(Cc1cccc(NC(=O)N[C@@H](C)CO)c1)C(C)=O CCN(C(C)=O)[*:1] C[C@@H](CO)NC(=O)Nc1cccc(c1)C[*:1]
CCN(Cc1cccc(NC(=O)N[C@@H](C)CO)c1)C(C)=O CCN(C[*:1])C(C)=O C[C@@H](CO)NC(=O)Nc1cccc(c1)[*:1]
CC(=O)Oc1ccc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=O)Oc1ccc(cc1[*:1])N1C(=O)C=CC1=O
CC(=O)Oc1ccc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-] CC(=O)O[*:1] O=C1C=CC(=O)N1c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1noc(-c2ccc(N3CC[C@@H](NC(=O)c4n[nH]c5c4CCCC5)C3)nc2)n1 C1CCc2c(n[nH]c2C1)[*:1] Cc1noc(n1)-c1ccc(nc1)N1CC[C@H](C1)NC(=O)[*:1]
Cc1noc(-c2ccc(N3CC[C@@H](NC(=O)c4n[nH]c5c4CCCC5)C3)nc2)n1 Cc1noc(n1)[*:1] O=C(N[C@@H]1CCN(C1)c1ccc(cn1)[*:1])c1n[nH]c2CCCCc12
COC[C@@H](C)NC(=O)Nc1ccc(C)c(C(F)(F)F)c1 FC(F)(F)[*:1] COC[C@@H](C)NC(=O)Nc1ccc(C)c(c1)[*:1]
COC[C@@H](C)NC(=O)Nc1ccc(C)c(C(F)(F)F)c1 COC[C@@H](C)[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)N[*:1]
COC[C@@H](C)NC(=O)Nc1ccc(C)c(C(F)(F)F)c1 COC[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)N[C@H](C)[*:1]
O=C(Nc1cccnc1-n1cccn1)C(=O)N[C@H]1CCc2cc(Cl)ccc21 c1cnn(c1)[*:1] O=C(Nc1cccnc1[*:1])C(=O)N[C@H]1CCc2cc(Cl)ccc21
COc1ccccc1N1C[C@H](C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1=O COc1ccccc1[*:1] O=C(NCCc1ccc(cc1)C(F)(F)F)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccccc1N1C[C@H](C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1=O FC(F)(F)[*:1] COc1ccccc1N1C[C@@H](CC1=O)C(=O)NCCc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCC(n2c(=S)[nH]c3cc(C(=O)[O-])ccc3c2=O)CC1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCC(CC1)n1c(=S)[nH]c2cc(ccc2c1=O)[*:1]
CC(C)(C)OC(=O)N1CCC(n2c(=S)[nH]c3cc(C(=O)[O-])ccc3c2=O)CC1 CC(C)(C)[*:1] O=C([O-])c1ccc2c(=O)n(c(=S)[nH]c2c1)C1CCN(CC1)C(=O)O[*:1]
Cc1ccc(NC(=O)CCNC(=O)C/C=C/c2ccc(F)cc2)nc1 Cc1ccc(nc1)[*:1] O=C(C/C=C/c1ccc(F)cc1)NCCC(=O)N[*:1]
Cc1ccc(NC(=O)CCNC(=O)C/C=C/c2ccc(F)cc2)nc1 Fc1ccc(cc1)[*:1] Cc1ccc(nc1)NC(=O)CCNC(=O)CC=C[*:1]
COc1ccc(C(C)(C)C[NH2+][C@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1 Cc1nn(C)c(C)c1[*:1] COc1ccc(cc1)C(C)(C)C[NH2+][C@H](C)C(=O)N[*:1]
COc1ccc(C(C)(C)C[NH2+][C@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+]CC(C)(C)[*:1]
C[NH+](Cc1ccc(CSC(F)F)o1)CC1(O)CCCC1 OC1(CCCC1)[*:1] C[NH+](Cc1ccc(CSC(F)F)o1)C[*:1]
C[NH+](Cc1ccc(CSC(F)F)o1)CC1(O)CCCC1 FC(F)SC[*:1] C[NH+](Cc1ccc(o1)[*:1])CC1(O)CCCC1
C[NH+](Cc1ccc(CSC(F)F)o1)CC1(O)CCCC1 FC(F)[*:1] C[NH+](Cc1ccc(CS[*:1])o1)CC1(O)CCCC1
C[NH+](Cc1ccc(CSC(F)F)o1)CC1(O)CCCC1 FC(F)S[*:1] C[NH+](Cc1ccc(C[*:1])o1)CC1(O)CCCC1
CNC(=O)c1cccc(OC(=O)c2oc3ccc(OC)cc3c2C)c1 CNC(=O)[*:1] COc1ccc2oc(C(=O)Oc3cccc(c3)[*:1])c(C)c2c1
C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O Cc1ccc(cc1)C[*:1] C#CCN1C(=O)S/C(=C/c2ccccc2O[*:1])C1=O
C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O Cc1ccc(cc1)[*:1] C#CCN1C(=O)S/C(=C/c2ccccc2OC[*:1])C1=O
C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O C#CC[*:1] Cc1ccc(cc1)COc1ccccc1/C=C1/SC(=O)N(C1=O)[*:1]
C[NH+](CCCN1C(=O)NC(C)(C)C1=O)CCc1nccs1 c1csc(C[*:1])n1 C[NH+](CCCN1C(=O)NC(C)(C)C1=O)C[*:1]
C[NH+](CCCN1C(=O)NC(C)(C)C1=O)CCc1nccs1 c1csc(CC[*:1])n1 C[NH+](CCCN1C(=O)NC(C)(C)C1=O)[*:1]
C[NH+](CCCN1C(=O)NC(C)(C)C1=O)CCc1nccs1 c1csc(n1)[*:1] C[NH+](CCCN1C(=O)NC(C)(C)C1=O)CC[*:1]
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cnc(s1)[*:1]
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cnc([C@@H]2CCCO2)s1 Fc1ccc(F)c(c1)[*:1] C[C@H](N(C)C(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
CCOC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CCOC(=O)NNC(=O)c1cc(ccc1Cl)[*:1]
CC(C)OCCN1CCN(C(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)OCCN1CCN(CC1)C(=O)N[*:1]
CC(C)OCCN1CCN(C(=O)Nc2ccc(F)cc2)CC1 CC(C)O[*:1] O=C(Nc1ccc(F)cc1)N1CCN(CC1)CC[*:1]
CC(C)OCCN1CCN(C(=O)Nc2ccc(F)cc2)CC1 CC(C)[*:1] O=C(Nc1ccc(F)cc1)N1CCN(CCO[*:1])CC1
CC(C)OCCN1CCN(C(=O)Nc2ccc(F)cc2)CC1 CC(C)OCC[*:1] O=C(Nc1ccc(F)cc1)N1CCN(CC1)[*:1]
CC(C)OCCN1CCN(C(=O)Nc2ccc(F)cc2)CC1 CC(C)OC[*:1] O=C(Nc1ccc(F)cc1)N1CCN(CC1)C[*:1]
CCCc1nn(C)c2c1nc(CCl)n2CCc1ccco1 CCC[*:1] Cn1nc(c2nc(CCl)n(CCc3ccco3)c21)[*:1]
CCCc1nn(C)c2c1nc(CCl)n2CCc1ccco1 c1coc(c1)[*:1] CCCc1nn(C)c2c1nc(CCl)n2CC[*:1]
CCCc1nn(C)c2c1nc(CCl)n2CCc1ccco1 c1coc(c1)CC[*:1] CCCc1nn(C)c2c1nc(CCl)n2[*:1]
CCCc1nn(C)c2c1nc(CCl)n2CCc1ccco1 c1coc(c1)C[*:1] CCCc1nn(C)c2c1nc(CCl)n2C[*:1]
O=S(=O)(Oc1ccccc1)c1ccc(Cl)cc1F c1ccc(cc1)[*:1] O=S(=O)(O[*:1])c1ccc(Cl)cc1F
CC(C)(C)c1n[nH]cc1CN1CCCC[C@@H]1C1OCCO1 CC(C)(C)[*:1] c1[nH]nc(c1CN1CCCC[C@@H]1C1OCCO1)[*:1]
CC(C)(C)c1n[nH]cc1CN1CCCC[C@@H]1C1OCCO1 C1COC(O1)[*:1] CC(C)(C)c1n[nH]cc1CN1CCCC[C@H]1[*:1]
Cn1c(CCNc2nc3nonc3nc2N2CCSCC2)nc2ccccc21 C1CN(CCS1)[*:1] Cn1c(CCNc2nc3nonc3nc2[*:1])nc2ccccc21
C[C@H]1CN(C2CCN(c3ccc(OC(F)F)cn3)CC2)CCO1 FC(F)[*:1] C[C@H]1CN(CCO1)C1CCN(CC1)c1ccc(cn1)O[*:1]
C[C@H]1CN(C2CCN(c3ccc(OC(F)F)cn3)CC2)CCO1 FC(F)O[*:1] C[C@H]1CN(CCO1)C1CCN(CC1)c1ccc(cn1)[*:1]
C[C@H]1CN(C2CCN(c3ccc(OC(F)F)cn3)CC2)CCO1 C[C@H]1CN(CCO1)[*:1] FC(F)Oc1ccc(nc1)N1CCC(CC1)[*:1]
CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)cc2C1=O CC(C)C[*:1] O=C(Nc1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)cc2C1=O CC(C)[*:1] O=C(Nc1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
Cc1nc(-c2ccccn2)nc(N2C[C@H]3[C@@H](C2)C3(C)C)c1C c1ccc(nc1)[*:1] Cc1nc(nc(c1C)N1C[C@H]2[C@@H](C1)C2(C)C)[*:1]
C[C@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 c1cc(ccn1)[*:1] C[C@H](Sc1nnc(n1Cc1ccccc1)[*:1])C(=O)N1CC(=O)Nc2ccccc21
C[C@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 c1ccc(cc1)C[*:1] C[C@H](Sc1nnc(-c2ccncc2)n1[*:1])C(=O)N1CC(=O)Nc2ccccc21
C[C@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2ccncc2)n1C[*:1])C(=O)N1CC(=O)Nc2ccccc21
CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1ccc(OC)cc1OC CCOC(=O)[*:1] COc1ccc(c(c1)OC)[C@@H]1C(=C(Nc2ncnn21)C(F)(F)F)[*:1]
CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1ccc(OC)cc1OC FC(F)(F)[*:1] CCOC(=O)C1=C(Nc2ncnn2[C@@H]1c1ccc(cc1OC)OC)[*:1]
COC(=O)C[C@H](C)N1CCN(Cc2cnc[nH]2)CC1 COC(=O)C[*:1] C[C@H](N1CCN(CC1)Cc1cnc[nH]1)[*:1]
COC(=O)C[C@H](C)N1CCN(Cc2cnc[nH]2)CC1 COC(=O)[*:1] C[C@@H](C[*:1])N1CCN(CC1)Cc1cnc[nH]1
COC(=O)C[C@H](C)N1CCN(Cc2cnc[nH]2)CC1 c1ncc(C[*:1])[nH]1 COC(=O)C[C@H](C)N1CCN(CC1)[*:1]
COC(=O)C[C@H](C)N1CCN(Cc2cnc[nH]2)CC1 c1ncc([nH]1)[*:1] COC(=O)C[C@H](C)N1CCN(CC1)C[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(Cl)c2c(c1)OCO2 c1csc(c1)C[*:1] C[NH+](C)CCN(C(=O)c1cc(Cl)c2OCOc2c1)[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(Cl)c2c(c1)OCO2 c1csc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1cc(Cl)c2OCOc2c1
O=C(C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)n2)CC1)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=C(NC1CC[NH+](CC1)[*:1])c1cnn(n1)-c1ccccc1
O=C(C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)n2)CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)c1cnn(n1)[*:1])Nc1ccccc1
O=C(C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)n2)CC1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1cnn(n1)-c1ccccc1
O=C(C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)n2)CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)c1cnn(n1)-c1ccccc1)N[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)NCCc1ccccn1 CCCC[*:1] O=C(NCCc1ccccn1)N[C@H]1CCC[C@H]1[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] CCCC[C@@H]1CCC[C@@H]1NC(=O)NCC[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)NCCc1ccccn1 c1ccc(C[*:1])nc1 CCCC[C@@H]1CCC[C@@H]1NC(=O)NC[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)NCCc1ccccn1 CCC[*:1] O=C(NCCc1ccccn1)N[C@H]1CCC[C@H]1C[*:1]
COc1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c(Cl)c1OC O=[N+]([O-])[*:1] COc1ccc(CN2CCc3c(cccc3[*:1])C2)c(Cl)c1OC
O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1cccc(-c2nccs2)c1 c1csc(n1)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1cccc(c1)[*:1]
O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1cccc(-c2nccs2)c1 Clc1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])Nc1cccc(c1)-c1nccs1
O=C1C(=O)N(CC[C@@H]2CCCC2=O)c2cc(F)cc(F)c21 O=C1CCC[C@H]1[*:1] O=C1C(=O)N(CC[*:1])c2cc(F)cc(F)c21
O=C1C(=O)N(CC[C@@H]2CCCC2=O)c2cc(F)cc(F)c21 O=C1CCC[C@H]1C[*:1] O=C1C(=O)N(C[*:1])c2cc(F)cc(F)c21
Cc1coc2c1[C@@H](NC(=O)NC1CCCCC1)CCC2 C1CCC(CC1)[*:1] Cc1coc2CCC[C@H](NC(=O)N[*:1])c12
COc1ccc(NC(=O)CN2C(=O)CCC2=O)c([N+](=O)[O-])c1 O=C1CCC(=O)N1[*:1] COc1ccc(NC(=O)C[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)CN2C(=O)CCC2=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)CN2C(=O)CCC2=O)c(c1)[*:1]
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1ccccc1)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1ccccc1)[*:1]
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1ccccc1)c1nc2ccccc2s1 c1ccc(cc1)C[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(c1nc2ccccc2s1)[*:1]
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1ccccc1)c1nc2ccccc2s1 c1ccc(cc1)[*:1] C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C[*:1])c1nc2ccccc2s1
C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)[C@@H](C)CO C[C@@H](CO)[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)[*:1]
C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)[C@@H](C)CO Clc1ccc(s1)[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])[C@@H](C)CO
C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)[C@@H](C)CO C[C@H]([C@@H](C)CO)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(Cl)s1
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc(C)s2)C1 Cc1ccc(s1)[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)NC[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc(C)s2)C1 Cc1ccc(C[*:1])s1 CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)N[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc(C)s2)C1 CC[S@](=O)[*:1] Cc1ccc(CNC(=O)N[C@H]2CCC[C@@H](C2)[*:1])s1
O=C(CC1CCCCC1)Nc1cccc2cccnc12 C1CCC(CC1)[*:1] O=C(C[*:1])Nc1cccc2cccnc12
Cc1cnc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)cn1 Cc1cnc(cn1)[*:1] O=C(N1CC2(CCCC2)c2c(F)cccc21)[*:1]
CCc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)nc(C)[nH+]1 c1nc(cs1)[*:1] CCc1cc(nc(C)[nH+]1)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
CCc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)nc(C)[nH+]1 c1nc(cs1)C[*:1] CCc1cc(nc(C)[nH+]1)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
COc1ccc(CNC(=O)NC[C@H](O)c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CNC(=O)NC[C@H](O)[*:1]
CCn1c(=O)c(-c2ccc(C(=O)NCc3ccccc3)cc2)nc2cccnc21 c1ccc(cc1)[*:1] CCn1c(=O)c(nc2cccnc21)-c1ccc(cc1)C(=O)NC[*:1]
CCn1c(=O)c(-c2ccc(C(=O)NCc3ccccc3)cc2)nc2cccnc21 c1ccc(cc1)C[*:1] CCn1c(=O)c(nc2cccnc21)-c1ccc(cc1)C(=O)N[*:1]
COC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NCc1ccc(OC)c(C#N)c1)[*:1]
COC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(F)c(F)c1 COC[*:1] COc1ccc(cc1C#N)CN[C@@H](c1ccc(F)c(F)c1)[*:1]
CCCNC(=O)[C@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O CCCNC(=O)[*:1] CC[C@H](N(c1cccc(Cl)c1)S(C)(=O)=O)[*:1]
CCCNC(=O)[C@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O Clc1cccc(c1)[*:1] CCCNC(=O)[C@H](CC)N(S(C)(=O)=O)[*:1]
CCCNC(=O)[C@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O CCC[*:1] CC[C@@H](C(=O)N[*:1])N(c1cccc(Cl)c1)S(C)(=O)=O
Cc1cc(C(=O)Nc2cccc(N(C)C(=O)c3cc(C)no3)c2)on1 Cc1cc(on1)[*:1] Cc1cc(on1)C(=O)N(C)c1cccc(c1)NC(=O)[*:1]
Cc1cc(C(=O)Nc2cccc(N(C)C(=O)c3cc(C)no3)c2)on1 Cc1cc(on1)[*:1] Cc1cc(on1)C(=O)Nc1cccc(c1)N(C)C(=O)[*:1]
C[C@@H](CNC(=O)CSCC(F)(F)F)N1CCOC[C@@H]1C FC(F)(F)C[*:1] C[C@@H](CNC(=O)CS[*:1])N1CCOC[C@@H]1C
C[C@@H](CNC(=O)CSCC(F)(F)F)N1CCOC[C@@H]1C FC(F)(F)[*:1] C[C@@H](CNC(=O)CSC[*:1])N1CCOC[C@@H]1C
C[C@@H](CNC(=O)CSCC(F)(F)F)N1CCOC[C@@H]1C FC(F)(F)CS[*:1] C[C@@H](CNC(=O)C[*:1])N1CCOC[C@@H]1C
COc1ccc(CCC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)CCC(=O)N[C@@H]1C[C@@H](C)N(C1)[*:1]
CC1(C)Cc2cccc(OCC(=O)NCc3nnnn3-c3ccccc3)c2O1 c1ccc(cc1)[*:1] CC1(C)Cc2cccc(OCC(=O)NCc3nnnn3[*:1])c2O1
CSC[C@H]1CCN(C(=O)CCCc2cc(F)ccc2F)C1 CSC[*:1] O=C(CCCc1cc(F)ccc1F)N1CC[C@@H](C1)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CC(C)(C)[*:1] C[C@H](NC(=O)[*:1])C(=O)N[C@@H]1CCN(C1=O)c1c(F)cccc1F
C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CC(C)(C)C(=O)N[*:1] C[C@H](C(=O)N[C@@H]1CCN(C1=O)c1c(F)cccc1F)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(C1=O)[*:1]
CCc1ccsc1CNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 CCc1ccsc1C[*:1] O=C(Nc1ccc2OCCCc2c1)C(=O)N[*:1]
CCc1ccsc1CNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 CCc1ccsc1[*:1] O=C(NC[*:1])C(=O)Nc1ccc2OCCCc2c1
CC[NH2+][C@@]1(C(N)=O)CC[C@@H](S[C@@H](C)CCO)C1 C[C@@H](CCO)[*:1] CC[NH2+][C@]1(CC[C@H](C1)S[*:1])C(N)=O
CC[NH2+][C@@]1(C(N)=O)CC[C@@H](S[C@@H](C)CCO)C1 OCC[*:1] CC[NH2+][C@]1(CC[C@H](C1)S[C@@H](C)[*:1])C(N)=O
CC[NH2+][C@@]1(C(N)=O)CC[C@@H](S[C@@H](C)CCO)C1 NC(=O)[*:1] CC[NH2+][C@]1(CC[C@H](C1)S[C@@H](C)CCO)[*:1]
Cc1c(CNC(=O)CNC(=O)c2cccc(F)c2)cnn1C Cc1c(cnn1C)[*:1] O=C(CNC(=O)c1cccc(F)c1)NC[*:1]
Cc1c(CNC(=O)CNC(=O)c2cccc(F)c2)cnn1C Fc1cccc(c1)[*:1] Cc1c(cnn1C)CNC(=O)CNC(=O)[*:1]
COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)C(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] COc1ccccc1C1C[C@H](CN(C(=O)c2ccc(F)cc2)[*:1])ON=1
COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)C(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] COc1ccccc1C1C[C@H](CN(C[*:1])C(=O)c2ccc(F)cc2)ON=1
COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)C(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] COc1ccccc1C1C[C@H](CN(Cc2ccc(F)cc2)C(=O)[*:1])ON=1
COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)C(=O)c2ccc(F)cc2)C1 COc1ccccc1[*:1] O=C(c1ccc(F)cc1)N(Cc1ccc(F)cc1)C[C@H]1CC(=NO1)[*:1]
CC[C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@H]1CN(C[C@@H]1[*:1])C(=O)COc1cc(C)on1
CC[C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1N1CCOCC1 Cc1cc(no1)[*:1] CC[C@@H]1CN(C[C@H]1N1CCOCC1)C(=O)CO[*:1]
CC[C@@H]1CN(C(=O)COc2cc(C)on2)C[C@H]1N1CCOCC1 Cc1cc(no1)O[*:1] CC[C@@H]1CN(C[C@H]1N1CCOCC1)C(=O)C[*:1]
C#CCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC C#CC[*:1] COc1cc(/C=C2/N=C(OC2=O)c2ccccc2)ccc1O[*:1]
C#CCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC c1ccc(cc1)[*:1] C#CCOc1ccc(/C=C2/N=C(OC2=O)[*:1])cc1OC
C#CCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC C#CCO[*:1] COc1cc(/C=C2/N=C(OC2=O)c2ccccc2)ccc1[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nc2sccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]1[C@H](CCN1c1nc2sccn2c1[*:1])C(=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nc2sccn2c1[N+](=O)[O-] O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1c1nc2sccn2c1[N+](=O)[O-])[*:1]
O=C([C@@H]1COc2ccc(F)cc2C1)N1CCC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N1CCC[C@H]1[*:1]
CCOc1ccc(OCc2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)cc1 CCO[*:1] C[C@H]1CN(C[C@H](C)O1)c1oc(COc2ccc(cc2)[*:1])nc1C#N
Cc1ccc(O[C@@H](C)C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NCC1(CCCCC1)N1CCOCC1
Cc1ccc(O[C@@H](C)C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)NCC1(CCCCC1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)NCC1(CCCCC1)N1CCOCC1)[*:1]
O=C(OCCO)N1CCC[C@@H]([NH+]2CCCC2)C1 OCC[*:1] O=C(O[*:1])N1CCC[C@H](C1)[NH+]1CCCC1
CC(C)c1nn(C)c2sc(C(=O)OCCn3cncn3)cc12 c1ncn(C[*:1])n1 CC(C)c1nn(C)c2sc(cc12)C(=O)OC[*:1]
CC(C)c1nn(C)c2sc(C(=O)OCCn3cncn3)cc12 c1ncn(CC[*:1])n1 CC(C)c1nn(C)c2sc(cc12)C(=O)O[*:1]
CC(C)c1nn(C)c2sc(C(=O)OCCn3cncn3)cc12 c1ncn(n1)[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)OCC[*:1]
CC(C)c1nn(C)c2sc(C(=O)OCCn3cncn3)cc12 CC(C)[*:1] Cn1nc(c2cc(sc21)C(=O)OCCn1cncn1)[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCCN1C(=O)c1ccco1 c1coc(c1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCCN1C(=O)[*:1]
COc1ccccc1OCc1ccc([N+](=O)[O-])c(N)c1 O=[N+]([O-])[*:1] COc1ccccc1OCc1ccc(c(N)c1)[*:1]
CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 CC(C)[*:1] N#C[C@H](NC(=O)CCn1cc[nH+]c1[*:1])c1ccc(Cl)cc1
CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C#N)[*:1]
C[S@](=O)c1ccc(CNCc2ccc(C#N)cc2F)cc1 C[S@](=O)[*:1] N#Cc1ccc(CNCc2ccc(cc2)[*:1])c(F)c1
Cc1cc(C(=O)Nc2ccc(-c3noc(C(C)(C)C)n3)cc2)n(C)n1 CC(C)(C)[*:1] Cc1cc(C(=O)Nc2ccc(cc2)-c2noc(n2)[*:1])n(C)n1
Cc1cc(C(=O)Nc2ccc(-c3noc(C(C)(C)C)n3)cc2)n(C)n1 Cc1cc(n(C)n1)[*:1] CC(C)(C)c1nc(no1)-c1ccc(cc1)NC(=O)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)CSc1nncn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CSc1nncn1[*:1]
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](CO)c3ccco3)c[nH+]2)C[C@@H](C)O1 c1coc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)N[C@@H](CO)[*:1]
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](CO)c3ccco3)c[nH+]2)C[C@@H](C)O1 OC[C@@H](c1ccco1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
c1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1 C1CO[C@H](C1)[*:1] c1cnc(nc1)N1CC[NH+](CC1)C[*:1]
c1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1 c1cnc(nc1)[*:1] C1CO[C@H](C1)C[NH+]1CCN(CC1)[*:1]
COc1ccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c(C)c1 CC(C)CC[*:1] COc1ccc(NC(=O)N2CC[C@@H](C2)O[*:1])c(C)c1
COc1ccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c(C)c1 CC(C)CCO[*:1] COc1ccc(NC(=O)N2CC[C@H](C2)[*:1])c(C)c1
COc1ccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c(C)c1 CC(C)[*:1] COc1ccc(NC(=O)N2CC[C@@H](C2)OCC[*:1])c(C)c1
COc1ccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)c(C)c1 CC(C)C[*:1] COc1ccc(NC(=O)N2CC[C@@H](C2)OC[*:1])c(C)c1
CCOc1ccc([C@@H]2CCCN2C(=O)NC(C2CC2)C2CC2)cc1 CCO[*:1] O=C(NC(C1CC1)C1CC1)N1CCC[C@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)NC(C2CC2)C2CC2)cc1 C1CC1[*:1] CCOc1ccc(cc1)[C@@H]1CCCN1C(=O)NC(C1CC1)[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)NC(C2CC2)C2CC2)cc1 C1CC1C(C1CC1)[*:1] CCOc1ccc(cc1)[C@@H]1CCCN1C(=O)N[*:1]
C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H]([NH2+]Cc1cccc2OCOc12)[*:1]
CC(C)[C@@H](NC(=O)C1CCCC1)c1cc(=O)[nH]c(-c2cccnc2)n1 c1cncc(c1)[*:1] CC(C)[C@@H](NC(=O)C1CCCC1)c1cc(=O)[nH]c(n1)[*:1]
CC(C)[C@@H](NC(=O)C1CCCC1)c1cc(=O)[nH]c(-c2cccnc2)n1 C1CCC(C1)[*:1] CC(C)[C@@H](NC(=O)[*:1])c1cc(=O)[nH]c(n1)-c1cccnc1
CC(C)[C@@H](NC(=O)C1CCCC1)c1cc(=O)[nH]c(-c2cccnc2)n1 CC(C)[*:1] O=C(N[C@@H](c1cc(=O)[nH]c(n1)-c1cccnc1)[*:1])C1CCCC1
CC(C)[C@@H](NC(=O)C1CCCC1)c1cc(=O)[nH]c(-c2cccnc2)n1 O=C(N[*:1])C1CCCC1 CC(C)[C@@H](c1cc(=O)[nH]c(n1)-c1cccnc1)[*:1]
COC(=O)C1(N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCCCC1 COC(=O)[*:1] CN(C(=O)c1ccc(N)c(c1)[N+](=O)[O-])C1(CCCCC1)[*:1]
COC(=O)C1(N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCCCC1 O=[N+]([O-])[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)c1ccc(N)c(c1)[*:1]
CS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCc3ccccc32)c1 CS(=O)(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCCCc2ccccc21
CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 O=C([O-])[*:1] CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(cc1)C(=O)CC[*:1]
CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 O=C([O-])CCC(=O)[*:1] CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(cc1)[*:1]
CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 O=C([O-])C[*:1] CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(cc1)C(=O)C[*:1]
Cc1ccc(F)cc1NC(=O)NCCNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] Cc1ccc(F)cc1NC(=O)NCCNC(=O)[*:1]
Cc1ccc(F)cc1NC(=O)NCCNC(=O)c1ccccc1Cl Cc1ccc(F)cc1[*:1] O=C(NCCNC(=O)c1ccccc1Cl)N[*:1]
COc1ccc(N2/C(=N\C(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl C1CCC(CC1)[*:1] COc1ccc(cc1Cl)N1/C(=N\C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
COc1ccc(N2/C(=N\C(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1])C1CCCCC1
CCCSCC(=O)NNC(=O)c1cc2ccccc2cc1O CCCS[*:1] O=C(C[*:1])NNC(=O)c1cc2ccccc2cc1O
CCCSCC(=O)NNC(=O)c1cc2ccccc2cc1O CCCSC[*:1] O=C(NNC(=O)[*:1])c1cc2ccccc2cc1O
CCCSCC(=O)NNC(=O)c1cc2ccccc2cc1O CCC[*:1] O=C(CS[*:1])NNC(=O)c1cc2ccccc2cc1O
CCC(=O)Nc1nnc(SCc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)s1 CCC(=O)N[*:1] O=C(Nc1ccc(Br)cc1)c1ccc(cc1)CSc1nnc(s1)[*:1]
CCC(=O)Nc1nnc(SCc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)s1 Brc1ccc(cc1)[*:1] CCC(=O)Nc1nnc(SCc2ccc(cc2)C(=O)N[*:1])s1
CC[NH+](CC)CCSc1nc(O)c(C(C)C)c(=O)[nH]1 CC(C)[*:1] CC[NH+](CC)CCSc1nc(O)c(c(=O)[nH]1)[*:1]
COCCS(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 COC[*:1] O=C([O-])[C@@H]1C=C[C@H](C1)NS(=O)(=O)C[*:1]
COCCS(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 COCC[*:1] O=C([O-])[C@@H]1C=C[C@H](C1)NS(=O)(=O)[*:1]
COCCS(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] COCCS(=O)(=O)N[C@@H]1C=C[C@@H](C1)[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCOc2cccc3ccccc23)c2c(C)cccc21 CC(=O)[*:1] Cc1cccc2c1N(CCOc1cccc3ccccc13)C(=O)[C@@]2(O)C[*:1]
CC(=O)C[C@]1(O)C(=O)N(CCOc2cccc3ccccc23)c2c(C)cccc21 CC(=O)C[*:1] Cc1cccc2c1N(CCOc1cccc3ccccc13)C(=O)[C@]2(O)[*:1]
Cc1c(C(=O)N(C)CC(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CC2 CC(C)CN(C)C(=O)[*:1] Cc1c(cnn1-c1ncc2CCc3ccccc3-c2n1)[*:1]
Cc1c(C(=O)N(C)CC(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CC2 CC(C)[*:1] Cc1c(cnn1-c1ncc2CCc3ccccc3-c2n1)C(=O)N(C)C[*:1]
Cc1c(C(=O)N(C)CC(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CC2 CC(C)C[*:1] Cc1c(cnn1-c1ncc2CCc3ccccc3-c2n1)C(=O)N(C)[*:1]
O=C(Nc1cccc(F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 Fc1cccc(c1)[*:1] O=C(N[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
O=C(Nc1cccc(F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1cccc(F)c1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
O=C(c1ccc(C[S@](=O)c2cccc(Cl)c2)o1)N1CCN(c2cccc[nH+]2)CC1 Clc1cccc(c1)[*:1] O=C(c1ccc(C[S@](=O)[*:1])o1)N1CCN(CC1)c1cccc[nH+]1
[NH3+][C@]1(C(=O)[O-])CCC[C@@H](Sc2ccc(F)c(F)c2)C1 O=C([O-])[*:1] [NH3+][C@@]1(CCC[C@H](C1)Sc1ccc(F)c(F)c1)[*:1]
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(C)(C)c1cccs1 CC(C)[*:1] CC(C)(CNC(=O)[C@@H](NC(=O)Nc1ccccc1)[*:1])c1cccs1
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(C)(C)c1cccs1 CC(C)(c1cccs1)[*:1] CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NC[*:1]
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(C)(C)c1cccs1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)N[*:1])C(=O)NCC(C)(C)c1cccs1
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(C)(C)c1cccs1 c1csc(c1)[*:1] CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(C)(C)[*:1]
COC(=O)c1ccc(CSc2nc3c(n2-c2ccccc2)CCCC3)o1 c1ccc(cc1)[*:1] COC(=O)c1ccc(CSc2nc3CCCCc3n2[*:1])o1
COC(=O)c1ccc(CSc2nc3c(n2-c2ccccc2)CCCC3)o1 COC(=O)[*:1] c1ccc(cc1)-n1c(nc2CCCCc21)SCc1ccc(o1)[*:1]
O=C(Cc1ccon1)Nc1ccc(Oc2cccc(Cl)c2)cc1 c1cc(C[*:1])no1 O=C(Nc1ccc(cc1)Oc1cccc(Cl)c1)[*:1]
O=C(Cc1ccon1)Nc1ccc(Oc2cccc(Cl)c2)cc1 c1cc(no1)[*:1] O=C(C[*:1])Nc1ccc(cc1)Oc1cccc(Cl)c1
O=C(Cc1ccon1)Nc1ccc(Oc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] O=C(Cc1ccon1)Nc1ccc(cc1)O[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCCOCC(F)(F)F)C2 FC(F)(F)COC[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NC[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCCOCC(F)(F)F)C2 FC(F)(F)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NCCOC[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCCOCC(F)(F)F)C2 FC(F)(F)CO[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NCC[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)NCCOCC(F)(F)F)C2 FC(F)(F)C[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)NCCO[*:1]
C[C@@H](NC(=O)N[C@H](CO)c1ccco1)c1cccc(N2CCCC2)c1 c1coc(c1)[*:1] C[C@@H](NC(=O)N[C@H](CO)[*:1])c1cccc(c1)N1CCCC1
C[C@@H](NC(=O)N[C@H](CO)c1ccco1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](NC(=O)N[C@H](CO)c1ccco1)c1cccc(c1)[*:1]
CC(C)n1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)n1 CC(C)[*:1] O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(o1)-c1ccn(n1)[*:1]
CC(C)n1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)n1 CC(C)n1ccc(n1)[*:1] O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(o1)[*:1]
CC(C)n1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)n1 Fc1ccc(cc1)[*:1] CC(C)n1ccc(n1)-c1nnc(NC(=O)CCS(=O)(=O)[*:1])o1
CN(CC(C)(C)O)C(=O)C[C@H]1CCCC[C@H]1[NH3+] CC(C)(O)C[*:1] CN(C(=O)C[C@H]1CCCC[C@H]1[NH3+])[*:1]
CN(CC(C)(C)O)C(=O)C[C@H]1CCCC[C@H]1[NH3+] CC(C)(O)[*:1] CN(C[*:1])C(=O)C[C@H]1CCCC[C@H]1[NH3+]
Cc1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)c(C)c1 c1cc2OCOc2cc1[*:1] Cc1ccc(c(C)c1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NCc1ccc2OCOc2c1)[C@@H]1CC(=O)N(C1)[*:1]
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nn(CC(=O)NC4CCCCC4)c(=O)n3c2c1 O=C(NC1CCCCC1)[*:1] CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nn(C[*:1])c(=O)n3c2c1
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nn(CC(=O)NC4CCCCC4)c(=O)n3c2c1 C1CCC(CC1)[*:1] CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nn(CC(=O)N[*:1])c(=O)n3c2c1
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nn(CC(=O)NC4CCCCC4)c(=O)n3c2c1 O=C(C[*:1])NC1CCCCC1 CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nn(c(=O)n3c2c1)[*:1]
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C)c3nn(CC(=O)NC4CCCCC4)c(=O)n3c2c1 CC[C@@H](C)NC(=O)[*:1] Cn1c(=O)c2ccc(cc2n2c(=O)n(CC(=O)NC3CCCCC3)nc12)[*:1]
CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(Cl)c1 O=[N+]([O-])[*:1] CC(C)(NC(=O)c1ccc(o1)[*:1])c1cccc(Cl)c1
CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)(NC(=O)c1ccc(o1)[N+](=O)[O-])[*:1]
CC(C)(C)c1ccccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] CC(C)(C)c1ccccc1NC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CC(C)(C)c1ccccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 CC(C)(C)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1[*:1]
CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] CC[NH2+][C@H]1CC[C@@H](C[C@@H]1N(C)CC[*:1])C(C)(C)C
CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N(C)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] CC[NH2+][C@H]1CC[C@@H](C[C@@H]1N(C)[*:1])C(C)(C)C
CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] CC[NH2+][C@H]1CC[C@@H](C[C@@H]1N(C)C[*:1])C(C)(C)C
CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N(C)CCS(C)(=O)=O CC(C)(C)[*:1] CC[NH2+][C@H]1CC[C@H](C[C@@H]1N(C)CCS(C)(=O)=O)[*:1]
COCCNC(=O)C[C@@H]1c2nc(-c3cccnc3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO COCC[*:1] C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2CC(=O)N[*:1])-c1cccnc1
COCCNC(=O)C[C@@H]1c2nc(-c3cccnc3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO c1cncc(c1)[*:1] COCCNC(=O)C[C@@H]1c2nc(sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO)[*:1]
COCCNC(=O)C[C@@H]1c2nc(-c3cccnc3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO COC[*:1] C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2CC(=O)NC[*:1])-c1cccnc1
COCCNC(=O)C[C@@H]1c2nc(-c3cccnc3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO COCCNC(=O)C[*:1] C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2[*:1])-c1cccnc1
COCCNC(=O)C[C@@H]1c2nc(-c3cccnc3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO COCCNC(=O)[*:1] C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2C[*:1])-c1cccnc1
O=C(NCC(=O)N1CCOc2ccccc21)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NCC(=O)N1CCOc2ccccc21)N[*:1]
O=C(c1ccccc1F)N1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1ccccc1F)N1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
O=C(c1ccccc1F)N1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 Fc1ccccc1[*:1] O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC(C)C)cc1)[NH2+]CC2 CCO[*:1] CCOc1cc2CC[NH2+][C@@H](c3ccc(cc3)OC(C)C)c2cc1[*:1]
CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC(C)C)cc1)[NH2+]CC2 CCO[*:1] CCOc1cc2c(cc1[*:1])CC[NH2+][C@H]2c1ccc(cc1)OC(C)C
CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC(C)C)cc1)[NH2+]CC2 CC(C)O[*:1] CCOc1cc2CC[NH2+][C@@H](c3ccc(cc3)[*:1])c2cc1OCC
CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC(C)C)cc1)[NH2+]CC2 CC(C)[*:1] CCOc1cc2CC[NH2+][C@@H](c3ccc(cc3)O[*:1])c2cc1OCC
Cc1ccc(Cl)c2sc(N(CCCN3CCOCC3)C(=O)c3cnccn3)nc12 C(CN1CCOCC1)C[*:1] Cc1ccc(Cl)c2sc(nc12)N(C(=O)c1cnccn1)[*:1]
Cc1ccc(Cl)c2sc(N(CCCN3CCOCC3)C(=O)c3cnccn3)nc12 C1CN(CCO1)CC[*:1] Cc1ccc(Cl)c2sc(nc12)N(C[*:1])C(=O)c1cnccn1
Cc1ccc(Cl)c2sc(N(CCCN3CCOCC3)C(=O)c3cnccn3)nc12 C1CN(CCO1)C[*:1] Cc1ccc(Cl)c2sc(nc12)N(CC[*:1])C(=O)c1cnccn1
Cc1ccc(Cl)c2sc(N(CCCN3CCOCC3)C(=O)c3cnccn3)nc12 C1CN(CCO1)[*:1] Cc1ccc(Cl)c2sc(nc12)N(CCC[*:1])C(=O)c1cnccn1
Cc1ccc(Cl)c2sc(N(CCCN3CCOCC3)C(=O)c3cnccn3)nc12 c1cnc(cn1)[*:1] Cc1ccc(Cl)c2sc(nc12)N(CCCN1CCOCC1)C(=O)[*:1]
Cn1c(Cn2cncn2)nnc1C1CCN(c2cc(C3CC3)ncn2)CC1 c1ncn(C[*:1])n1 Cn1c(nnc1[*:1])C1CCN(CC1)c1cc(ncn1)C1CC1
Cn1c(Cn2cncn2)nnc1C1CCN(c2cc(C3CC3)ncn2)CC1 c1ncn(n1)[*:1] Cn1c(C[*:1])nnc1C1CCN(CC1)c1cc(ncn1)C1CC1
Cn1c(Cn2cncn2)nnc1C1CCN(c2cc(C3CC3)ncn2)CC1 C1CC1[*:1] Cn1c(Cn2cncn2)nnc1C1CCN(CC1)c1cc(ncn1)[*:1]
Cn1c(Cn2cncn2)nnc1C1CCN(c2cc(C3CC3)ncn2)CC1 c1nc(cc(n1)[*:1])C1CC1 Cn1c(Cn2cncn2)nnc1C1CCN(CC1)[*:1]
Cc1ccc2c([O-])c(C(=O)Nc3cnn(-c4ccccc4)c3)cnc2n1 c1ccc(cc1)[*:1] Cc1ccc2c([O-])c(cnc2n1)C(=O)Nc1cnn(c1)[*:1]
C[C@H](C(=O)Nc1ncccn1)N1CCn2c(nnc2-c2ccccc2)C1 c1cnc(nc1)[*:1] C[C@H](C(=O)N[*:1])N1CCn2c(C1)nnc2-c1ccccc1
C[C@H](C(=O)Nc1ncccn1)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](C(=O)Nc1ncccn1)N1CCn2c(C1)nnc2[*:1]
O=C(NCCCNc1ccccc1)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCCNc1ccccc1)NC[*:1]
O=C(NCCCNc1ccccc1)NCc1cccc(F)c1 c1ccc(cc1)N[*:1] O=C(NCCC[*:1])NCc1cccc(F)c1
O=C(NCCCNc1ccccc1)NCc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(NCCCN[*:1])NCc1cccc(F)c1
COC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1C Fc1ccc(cc1)[*:1] COC(=O)c1nnc2c(c(C)nn2c1C)[*:1]
COC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1C COC(=O)[*:1] Cc1nn2c(C)c(nnc2c1-c1ccc(F)cc1)[*:1]
COc1ccc([C@H](C)NC(=O)c2cccnc2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)[*:1]
O=C(Nc1ccc2cccc([N+](=O)[O-])c2c1)c1cncc(Br)c1 O=[N+]([O-])[*:1] O=C(Nc1ccc2cccc(c2c1)[*:1])c1cncc(Br)c1
O=C(Nc1ccc2cccc([N+](=O)[O-])c2c1)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C(Nc1ccc2cccc(c2c1)[N+](=O)[O-])[*:1]
CCN(Cc1ccccn1)[C@@H](C)/C(N)=N/O N/C(=N\O)[*:1] CCN(Cc1ccccn1)[C@@H](C)[*:1]
O=C(COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] O=C(OC[*:1])[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21
O=C(COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)NCC(F)(F)F FC(F)(F)[*:1] O=C(COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)NC[*:1]
O=C(COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)NCC(F)(F)F O=C(C[*:1])NCC(F)(F)F O=C(O[*:1])[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21
O=C(COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)NCC(F)(F)F FC(F)(F)C[*:1] O=C(COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)N[*:1]
CC1(CNC(=O)COCC[NH3+])COC1 [NH3+]CC[*:1] CC1(CNC(=O)CO[*:1])COC1
CC1(CNC(=O)COCC[NH3+])COC1 [NH3+]CCO[*:1] CC1(CNC(=O)C[*:1])COC1
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(NC(=O)c3cccc(F)c3)cc2)NC(=S)N1C CC(C)OC(=O)[*:1] CC1=C([C@H](NC(=S)N1C)c1ccc(cc1)NC(=O)c1cccc(F)c1)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(NC(=O)c3cccc(F)c3)cc2)NC(=S)N1C CC(C)[*:1] CC1=C(C(=O)O[*:1])[C@H](NC(=S)N1C)c1ccc(cc1)NC(=O)c1cccc(F)c1
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(NC(=O)c3cccc(F)c3)cc2)NC(=S)N1C O=C(N[*:1])c1cccc(F)c1 CC1=C(C(=O)OC(C)C)[C@H](NC(=S)N1C)c1ccc(cc1)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(NC(=O)c3cccc(F)c3)cc2)NC(=S)N1C Fc1cccc(c1)[*:1] CC1=C(C(=O)OC(C)C)[C@H](NC(=S)N1C)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(-c2cnc(CCC(=O)N3CCO[C@H]4CCC[C@H]43)o2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])N1CCO[C@H]2CCC[C@H]21
Cc1ccc(CNC(=O)c2cccnc2SCc2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] Cc1ccc(cc1)CNC(=O)c1cccnc1SC[*:1]
Cc1ccc(CNC(=O)c2cccnc2SCc2c(C)noc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1noc(C)c1CSc1ncccc1C(=O)N[*:1]
Cc1ccc(CNC(=O)c2cccnc2SCc2c(C)noc2C)cc1 Cc1noc(C)c1C[*:1] Cc1ccc(cc1)CNC(=O)c1cccnc1S[*:1]
Cc1ccc(CNC(=O)c2cccnc2SCc2c(C)noc2C)cc1 Cc1ccc(cc1)[*:1] Cc1noc(C)c1CSc1ncccc1C(=O)NC[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1C Cc1c(Cl)cccc1[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1C Cc1noc(C)c1[*:1] Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
C[C@@H](NS(=O)(=O)CC1CCCCC1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)CC1CCCCC1)c1noc(C[*:1])n1
C[C@@H](NS(=O)(=O)CC1CCCCC1)c1noc(Cc2ccccc2)n1 C1CCC(CC1)C[*:1] C[C@@H](NS(=O)(=O)[*:1])c1noc(Cc2ccccc2)n1
C[C@@H](NS(=O)(=O)CC1CCCCC1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@@H](NS(=O)(=O)CC1CCCCC1)c1noc(n1)[*:1]
C[C@@H](NS(=O)(=O)CC1CCCCC1)c1noc(Cc2ccccc2)n1 C1CCC(CC1)[*:1] C[C@@H](NS(=O)(=O)C[*:1])c1noc(Cc2ccccc2)n1
CNS(=O)(=O)c1ccccc1CNc1cc(Cl)ccc1C#N CNS(=O)(=O)[*:1] N#Cc1ccc(Cl)cc1NCc1ccccc1[*:1]
CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@]32C)C(=O)N(C)C1=S O=[N+]([O-])[*:1] CN1C(=O)C2(Cc3cc(ccc3N3CCCC[C@@]32C)[*:1])C(=O)N(C)C1=S
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C#N)C(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])C(=O)N[C@@H](C#N)C(C)(C)C
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C#N)C(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](C#N)[*:1]
C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)N[C@@H](C)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)N[C@@H](C)[*:1]
C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)N[C@@H](C)c1cccc(C#N)c1 Fc1ccc(cc1F)[*:1] C[C@@H](CC[*:1])NC(=O)N[C@@H](C)c1cccc(C#N)c1
O=C(CN1CCN(c2ccccc2F)CC1)N1CCSc2ccccc21 Fc1ccccc1[*:1] O=C(CN1CCN(CC1)[*:1])N1CCSc2ccccc21
CC(C)NC(=O)Nc1ccc(C(=O)Nc2ncc(Cl)s2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)C(=O)Nc1ncc(Cl)s1)N[*:1]
CC(C)NC(=O)Nc1ccc(C(=O)Nc2ncc(Cl)s2)cc1 Clc1cnc(s1)[*:1] CC(C)NC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)Nc1ccc(C(=O)Nc2ncc(Cl)s2)cc1 CC(C)NC(=O)N[*:1] O=C(Nc1ncc(Cl)s1)c1ccc(cc1)[*:1]
Cc1cc(C(=O)N2CCN(Cc3cnc(Cl)s3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(N1CCN(CC1)Cc1cnc(Cl)s1)[*:1]
Cc1cc(C(=O)N2CCN(Cc3cnc(Cl)s3)CC2)c(C)o1 Clc1ncc(C[*:1])s1 Cc1cc(C(=O)N2CCN(CC2)[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(Cc3cnc(Cl)s3)CC2)c(C)o1 Clc1ncc(s1)[*:1] Cc1cc(C(=O)N2CCN(CC2)C[*:1])c(C)o1
CCOc1ccccc1OCC#CC[NH+]1CCCCC1 CCO[*:1] C(#CC[NH+]1CCCCC1)COc1ccccc1[*:1]
C[NH2+]C/C(=C\c1cnc(C)s1)C(C)C CC(C)[*:1] C[NH2+]C/C(=C\c1cnc(C)s1)[*:1]
C[C@@H](Cl)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 C[C@@H](Cl)C(=O)N[*:1] O=S(=O)(CC[*:1])N1CCc2ccccc21
C[C@@H](Cl)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 C[C@@H](Cl)[*:1] O=C(NCCS(=O)(=O)N1CCc2ccccc21)[*:1]
Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CC=CC[C@H]1[*:1]
CNC(=O)c1ccc(NCCCc2c(C)nn(C)c2C)[nH+]n1 CNC(=O)[*:1] Cc1nn(C)c(C)c1CCCNc1ccc(n[nH+]1)[*:1]
CC(C)[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 CC(C)[*:1] C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)[*:1]
CC(C)[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 CC(C)[C@H](C)[*:1] O=S1(=O)CCC(CC1)C[NH2+][*:1]
COC(=O)[C@H]1NCCOC1(C)C COC(=O)[*:1] CC1(C)OCCN[C@@H]1[*:1]
CCOCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 CCOCC[*:1] Fc1ccc(cc1)-c1csc2ncnc(NC[*:1])c12
CCOCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 CCOCCC[*:1] Fc1ccc(cc1)-c1csc2ncnc(N[*:1])c12
CCOCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 CCOC[*:1] Fc1ccc(cc1)-c1csc2ncnc(NCC[*:1])c12
CCOCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 Fc1ccc(cc1)[*:1] CCOCCCNc1ncnc2scc(c12)[*:1]
CCOCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 CCO[*:1] Fc1ccc(cc1)-c1csc2ncnc(NCCC[*:1])c12
CCOCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 CCOCCCN[*:1] Fc1ccc(cc1)-c1csc2ncnc(c12)[*:1]
CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1cccc(F)c1)[C@@H](C#N)C(=N)C2(C#N)C#N Fc1cccc(c1)[*:1] CCOC(=O)N1CC=C2[C@H](C1)[C@@H]([C@@H](C#N)C(=N)C2(C#N)C#N)[*:1]
CSC(C)(C)CNC(=O)Cn1c(C2CC2)nc2ccccc21 C1CC1[*:1] CSC(C)(C)CNC(=O)Cn1c(nc2ccccc21)[*:1]
CSC(C)(C)CNC(=O)Cn1c(C2CC2)nc2ccccc21 CSC(C)(C)C[*:1] O=C(Cn1c(nc2ccccc21)C1CC1)N[*:1]
CSC(C)(C)CNC(=O)Cn1c(C2CC2)nc2ccccc21 CSC(C)(C)[*:1] O=C(Cn1c(nc2ccccc21)C1CC1)NC[*:1]
CC(C)c1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)on1 O=C(N1CCOCC1)[*:1] CC(C)c1cc(on1)C(=O)Nc1ccccc1[*:1]
CC(C)c1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)on1 CC(C)[*:1] O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)on1 CC(C)c1cc(on1)[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCOCC1
CCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ncccn2)cc1 CCC[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(cc2)O[*:1])N1c1ncccn1
CCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ncccn2)cc1 c1cnc(nc1)[*:1] CCCOc1ccc(cc1)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
CCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ncccn2)cc1 CCCOc1ccc(cc1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](N1c1ncccn1)[*:1]
CCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ncccn2)cc1 CCCO[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(cc2)[*:1])N1c1ncccn1
Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)no1 Clc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1
Cc1nn(C)c2ncc(NC(=O)C(=O)N(C)Cc3ccccc3F)cc12 Fc1ccccc1[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)C(=O)N(C)C[*:1]
Cc1nn(C)c2ncc(NC(=O)C(=O)N(C)Cc3ccccc3F)cc12 Fc1ccccc1C[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)C(=O)N(C)[*:1]
CC(C)n1nnc2cc(C(=O)Nc3ccc(F)cc3F)ccc21 CC(C)[*:1] O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)nnn2[*:1]
CC(C)(C)C[NH2+]Cc1cc(C#N)cs1 CC(C)(C)[*:1] N#Cc1csc(c1)C[NH2+]C[*:1]
CCOc1nc2cc(C#N)ccc2n1C(C)C CC(C)[*:1] CCOc1nc2cc(C#N)ccc2n1[*:1]
CCOc1nc2cc(C#N)ccc2n1C(C)C CCO[*:1] CC(C)n1c(nc2cc(C#N)ccc21)[*:1]
CCc1nnc(/N=C2/S/C(=C/c3ccccc3OCCC(=O)[O-])C(=O)N2C)s1 O=C([O-])CC[*:1] CCc1nnc(/N=C2/S/C(=C/c3ccccc3O[*:1])C(=O)N2C)s1
CCc1nnc(/N=C2/S/C(=C/c3ccccc3OCCC(=O)[O-])C(=O)N2C)s1 O=C([O-])[*:1] CCc1nnc(/N=C2/S/C(=C/c3ccccc3OCC[*:1])C(=O)N2C)s1
CCc1nnc(/N=C2/S/C(=C/c3ccccc3OCCC(=O)[O-])C(=O)N2C)s1 O=C([O-])CCO[*:1] CCc1nnc(/N=C2/S/C(=C/c3ccccc3[*:1])C(=O)N2C)s1
CCc1nnc(/N=C2/S/C(=C/c3ccccc3OCCC(=O)[O-])C(=O)N2C)s1 O=C([O-])C[*:1] CCc1nnc(/N=C2/S/C(=C/c3ccccc3OC[*:1])C(=O)N2C)s1
CCc1nnc(/N=C2/S/C(=C/c3ccccc3OCCC(=O)[O-])C(=O)N2C)s1 CCc1nnc(s1)[*:1] CN1C(=O)/C(=C\c2ccccc2OCCC(=O)[O-])SC1=N[*:1]
C=CCn1c([C@@H](C)Oc2ccc(Cl)cc2Cl)n[nH]c1=S C=CC[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)c1n[nH]c(=S)n1[*:1]
CCOc1ccc(F)c(C(=O)N[C@H]2C[C@](C)(OC)C2(C)C)c1F CCO[*:1] CO[C@@]1(C)C[C@H](NC(=O)c2c(F)ccc(c2F)[*:1])C1(C)C
C[NH2+]C[C@H](C)C(=O)Nc1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] C[NH2+]C[C@H](C)C(=O)Nc1cccc(c1)[*:1]
Cn1cccc1CNc1ccc(F)c(N2CCCS2(=O)=O)c1 Cn1cccc1[*:1] O=S1(=O)CCCN1c1cc(ccc1F)NC[*:1]
Cn1cccc1CNc1ccc(F)c(N2CCCS2(=O)=O)c1 O=S1(=O)CCCN1[*:1] Cn1cccc1CNc1ccc(F)c(c1)[*:1]
Cn1cccc1CNc1ccc(F)c(N2CCCS2(=O)=O)c1 Cn1cccc1C[*:1] O=S1(=O)CCCN1c1cc(ccc1F)N[*:1]
CN(C)c1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)ccn1 CC(C)(C)[*:1] CN(C)c1cc(ccn1)C(=O)Nc1cc(sc1C#N)[*:1]
CN(C)c1cc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)ccn1 CN(C)[*:1] CC(C)(C)c1cc(NC(=O)c2ccnc(c2)[*:1])c(C#N)s1
Cc1nc(C(C)(C)NC(=O)Nc2ccc(F)cc2F)no1 Cc1nc(no1)[*:1] CC(C)(NC(=O)Nc1ccc(F)cc1F)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC1)C(=O)O[*:1]
COc1cc(CNC(=O)c2cc(C(C)C)no2)cc(OC)c1O CC(C)[*:1] COc1cc(cc(OC)c1O)CNC(=O)c1cc(no1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@H]2CCO[C@@H]2C)c1 CC(=O)N(C)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)n1ncc2c(cc(nc21)-c1ccco1)C(=O)N[*:1]
COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)c1cc(nc2c1cnn2[*:1])-c1ccco1
COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 c1coc(c1)[*:1] COc1ccc(cc1)NC(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
C[C@@H](Sc1ncccn1)C(=O)NC1(C#N)CCCCC1 c1cnc(nc1)[*:1] C[C@@H](S[*:1])C(=O)NC1(C#N)CCCCC1
CCN1CCN(C(=O)CN2CCCC2=O)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O O=C1CCCN1[*:1] CCN1CCN(C[C@H](Cc2cccc(c2)-c2ccccc2)C1=O)C(=O)C[*:1]
CCN1CCN(C(=O)CN2CCCC2=O)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O O=C1CCCN1C[*:1] CCN1CCN(C[C@H](Cc2cccc(c2)-c2ccccc2)C1=O)C(=O)[*:1]
CCN1CCN(C(=O)CN2CCCC2=O)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O c1ccc(cc1)[*:1] CCN1CCN(C[C@H](Cc2cccc(c2)[*:1])C1=O)C(=O)CN1CCCC1=O
O=C(NCc1cccnc1)C(F)(F)F FC(F)(F)[*:1] O=C(NCc1cccnc1)[*:1]
C/[NH+]=C(/N)SCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C/[NH+]=C(/N)SCc1ccc(cc1)[*:1]
CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 CCC[*:1] C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCC[C@@H](C)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
Cc1nn(C)c(C)c1C(=O)OC[C@H](C#N)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1C(=O)OC[C@H](C#N)C[*:1]
Cc1nn(C)c(C)c1C(=O)OC[C@H](C#N)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(C)c(C)c1C(=O)OC[C@H](C#N)[*:1]
Cc1cccc(-c2ncc(-c3c(-c4ccccc4)ncn3CCC(N)=O)cn2)c1 Cc1cccc(c1)[*:1] NC(=O)CCn1cnc(-c2ccccc2)c1-c1cnc(nc1)[*:1]
Cc1cccc(-c2ncc(-c3c(-c4ccccc4)ncn3CCC(N)=O)cn2)c1 NC(=O)C[*:1] Cc1cccc(c1)-c1ncc(cn1)-c1c(ncn1C[*:1])-c1ccccc1
Cc1cccc(-c2ncc(-c3c(-c4ccccc4)ncn3CCC(N)=O)cn2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1ncc(cn1)-c1c(ncn1CCC(N)=O)[*:1]
Cc1cccc(-c2ncc(-c3c(-c4ccccc4)ncn3CCC(N)=O)cn2)c1 NC(=O)[*:1] Cc1cccc(c1)-c1ncc(cn1)-c1c(ncn1CC[*:1])-c1ccccc1
Cc1cccc(-c2ncc(-c3c(-c4ccccc4)ncn3CCC(N)=O)cn2)c1 NC(=O)CC[*:1] Cc1cccc(c1)-c1ncc(cn1)-c1c(ncn1[*:1])-c1ccccc1
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCc1ccc(-n2cccn2)nc1 c1cnn(c1)[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCc1ccc(nc1)[*:1]
COc1ccc(Cl)cc1N(C)C(=O)[C@H](C)Oc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] COc1ccc(Cl)cc1N(C)C(=O)[C@H](C)O[*:1]
C[C@]1(c2nc(C[C@H]([NH3+])c3ccccc3)cs2)CCCO1 C[C@@]1(CCCO1)[*:1] [NH3+][C@@H](Cc1csc(n1)[*:1])c1ccccc1
C[C@]1(c2nc(C[C@H]([NH3+])c3ccccc3)cs2)CCCO1 c1ccc(cc1)[*:1] C[C@@]1(CCCO1)c1nc(cs1)C[C@H]([NH3+])[*:1]
Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)n2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CCNC(=O)[C@@H]2CC(=O)N(C2)[*:1])n1
Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)n2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
Cc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)c1C Cc1ccccc1[*:1] Cc1c(nnn1[*:1])-c1nsc(n1)NC(=O)c1ccc(Cl)cc1
Cc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)c1C Clc1ccc(cc1)[*:1] Cc1ccccc1-n1nnc(-c2nsc(n2)NC(=O)[*:1])c1C
CCOC(=O)[C@@](C)(O)C1(C)CC1 CC1(CC1)[*:1] CCOC(=O)[C@@](C)(O)[*:1]
CC(C)(C)SSC[C@H]([NH3+])C(=O)[O-] CC(C)(C)[*:1] [NH3+][C@@H](CSS[*:1])C(=O)[O-]
CC(C)(C)SSC[C@H]([NH3+])C(=O)[O-] O=C([O-])[*:1] CC(C)(C)SSC[C@H]([NH3+])[*:1]
Cc1nn(C)c(C)c1OC(=O)c1cnn(-c2ccncc2)c1C c1cc(ccn1)[*:1] Cc1nn(C)c(C)c1OC(=O)c1cnn(c1C)[*:1]
Cc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1c(nnn1-c1ccc(F)cc1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)c(C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(NC(=O)c2nnn(c2C)[*:1])c(C)c1
CC[C@H](CO)NC(=O)C(=O)Nc1cc(Cl)ccc1SC CC[C@H](CO)[*:1] CSc1ccc(Cl)cc1NC(=O)C(=O)N[*:1]
CC(C)[C@H](NCc1ccc([O-])c[nH+]1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H](NCc1ccc([O-])c[nH+]1)[*:1]
CC(C)[C@H](NCc1ccc([O-])c[nH+]1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NCc1ccc([O-])c[nH+]1)[*:1]
O=C([O-])c1cnc2c(C(F)(F)F)cccc2c1Nc1cccc(O)c1 FC(F)(F)[*:1] O=C([O-])c1cnc2c(cccc2c1Nc1cccc(O)c1)[*:1]
O=C([O-])c1cnc2c(C(F)(F)F)cccc2c1Nc1cccc(O)c1 Oc1cccc(c1)[*:1] O=C([O-])c1cnc2c(cccc2c1N[*:1])C(F)(F)F
O=C([O-])c1cnc2c(C(F)(F)F)cccc2c1Nc1cccc(O)c1 O=C([O-])[*:1] Oc1cccc(c1)Nc1c(cnc2c(cccc12)C(F)(F)F)[*:1]
O=C([O-])c1cnc2c(C(F)(F)F)cccc2c1Nc1cccc(O)c1 Oc1cccc(c1)N[*:1] O=C([O-])c1cnc2c(cccc2c1[*:1])C(F)(F)F
CCO[C@H]1C[NH2+]C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 CCO[*:1] O=C(CNC(=O)c1cccc(c1)C(F)(F)F)N[C@H]1C[NH2+]C[C@@H]1[*:1]
CCO[C@H]1C[NH2+]C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCO[C@H]1C[NH2+]C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)[*:1]
O=[N+]([O-])c1cc(F)ccc1NCc1ccc(C2CC2)cc1 O=[N+]([O-])[*:1] Fc1ccc(NCc2ccc(cc2)C2CC2)c(c1)[*:1]
O=[N+]([O-])c1cc(F)ccc1NCc1ccc(C2CC2)cc1 C1CC1[*:1] O=[N+]([O-])c1cc(F)ccc1NCc1ccc(cc1)[*:1]
CCOc1ccc(/C=C/C(=O)c2cnn(CC)c2C)cc1 CCO[*:1] CCn1ncc(C(=O)/C=C/c2ccc(cc2)[*:1])c1C
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1 c1csc(c1)[*:1] O=C(Nc1ccc(Cl)cc1Cl)c1ccc(cc1)NS(=O)(=O)[*:1]
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1 Clc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1cccs1
Cc1cc(C)c(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)c(C)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)C(=O)NCCc2csc3nc(nn23)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(NCCc1csc2nc(nn12)-c1ccc(Cl)cc1)C(=O)N[*:1]
O=C(N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(c1cccs1)N1CCC(CC1)[C@@H](NC(=O)[*:1])C(=O)N1CCCCC1
O=C(N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1Cl O=C(N1CCCCC1)[*:1] O=C(N[C@@H](C1CCN(CC1)C(=O)c1cccs1)[*:1])c1ccccc1Cl
O=C(N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1Cl c1csc(c1)[*:1] O=C(N[C@@H](C(=O)N1CCCCC1)C1CCN(CC1)C(=O)[*:1])c1ccccc1Cl
O=C(N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1Cl O=C(N[*:1])c1ccccc1Cl O=C(c1cccs1)N1CCC(CC1)[C@H](C(=O)N1CCCCC1)[*:1]
O=C(c1cc2ccc(Cl)cc2[nH]1)N(CCC(F)(F)F)CC1CC1 C1CC1C[*:1] O=C(c1cc2ccc(Cl)cc2[nH]1)N(CCC(F)(F)F)[*:1]
O=C(c1cc2ccc(Cl)cc2[nH]1)N(CCC(F)(F)F)CC1CC1 C1CC1[*:1] O=C(c1cc2ccc(Cl)cc2[nH]1)N(CCC(F)(F)F)C[*:1]
O=C(c1cc2ccc(Cl)cc2[nH]1)N(CCC(F)(F)F)CC1CC1 FC(F)(F)C[*:1] O=C(c1cc2ccc(Cl)cc2[nH]1)N(CC1CC1)C[*:1]
O=C(c1cc2ccc(Cl)cc2[nH]1)N(CCC(F)(F)F)CC1CC1 FC(F)(F)[*:1] O=C(c1cc2ccc(Cl)cc2[nH]1)N(CC[*:1])CC1CC1
O=C(c1cc2ccc(Cl)cc2[nH]1)N(CCC(F)(F)F)CC1CC1 FC(F)(F)CC[*:1] O=C(c1cc2ccc(Cl)cc2[nH]1)N(CC1CC1)[*:1]
C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CC[NH+](C)C NC(=O)[*:1] C[NH2+][C@@]1(CCC[C@@H]1CC[NH+](C)C)[*:1]
Cc1ccccc1O[C@H](C)CNC(=O)c1cccc2c1OCO2 Cc1ccccc1[*:1] C[C@H](CNC(=O)c1cccc2OCOc21)O[*:1]
CCC(=O)NC(=S)NNC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CCC(=O)NC(=S)NNC(=O)C[*:1]
O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc([N+](=O)[O-])c1 OCc1ccc(o1)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1Cl)-c1ccc(CO)o1)c1cccc(c1)[*:1]
O=C(Cn1cnc2nc3c(cc2c1=O)CCCC3)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cn1cnc2nc3CCCCc3cc2c1=O)N[*:1]
CSCc1c(C(=O)NNC(=O)CN2CCCc3ccccc32)oc2ccccc12 CSC[*:1] O=C(CN1CCCc2ccccc21)NNC(=O)c1oc2ccccc2c1[*:1]
Cc1ccc(CNC(=O)c2sc(=S)n3c2nc([O-])c2cc(C)ccc23)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2c(c1)c([O-])nc1c(sc(=S)n12)C(=O)NC[*:1]
Cc1ccc(CNC(=O)c2sc(=S)n3c2nc([O-])c2cc(C)ccc23)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc2c(c1)c([O-])nc1c(sc(=S)n12)C(=O)N[*:1]
CCn1cc(NC(=O)c2ccnn2C(F)F)c(C(=O)NCc2ccco2)n1 FC(F)n1nccc1[*:1] CCn1cc(NC(=O)[*:1])c(n1)C(=O)NCc1ccco1
CCn1cc(NC(=O)c2ccnn2C(F)F)c(C(=O)NCc2ccco2)n1 c1coc(c1)[*:1] CCn1cc(NC(=O)c2ccnn2C(F)F)c(n1)C(=O)NC[*:1]
CCn1cc(NC(=O)c2ccnn2C(F)F)c(C(=O)NCc2ccco2)n1 O=C(NCc1ccco1)[*:1] CCn1cc(NC(=O)c2ccnn2C(F)F)c(n1)[*:1]
CCn1cc(NC(=O)c2ccnn2C(F)F)c(C(=O)NCc2ccco2)n1 FC(F)[*:1] CCn1cc(NC(=O)c2ccnn2[*:1])c(n1)C(=O)NCc1ccco1
CCn1cc(NC(=O)c2ccnn2C(F)F)c(C(=O)NCc2ccco2)n1 c1coc(c1)C[*:1] CCn1cc(NC(=O)c2ccnn2C(F)F)c(n1)C(=O)N[*:1]
Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@@H](C)[NH2+]C[C@H](O)C1CCOCC1
Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)cc1[N+](=O)[O-] C1CC(CCO1)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@@H](C)[NH2+]C[C@H](O)[*:1]
CC(C)[C@@H](CC(=O)N(C)C[C@H](O)C1CC1)c1ccccc1 O[C@@H](C[*:1])C1CC1 CC(C)[C@@H](CC(=O)N(C)[*:1])c1ccccc1
CC(C)[C@@H](CC(=O)N(C)C[C@H](O)C1CC1)c1ccccc1 O[C@H](C1CC1)[*:1] CC(C)[C@@H](CC(=O)N(C)C[*:1])c1ccccc1
CC(C)[C@@H](CC(=O)N(C)C[C@H](O)C1CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](CC(=O)N(C)C[C@H](O)C1CC1)[*:1]
CC(C)[C@@H](CC(=O)N(C)C[C@H](O)C1CC1)c1ccccc1 CC(C)[*:1] CN(C[C@H](O)C1CC1)C(=O)C[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](CC(=O)N(C)C[C@H](O)C1CC1)c1ccccc1 C1CC1[*:1] CC(C)[C@@H](CC(=O)N(C)C[C@H](O)[*:1])c1ccccc1
CC(C)[C@H]1N=N/C(=N\C(=O)c2cc(=O)c(OCc3ccccc3)co2)S1 c1ccc(cc1)CO[*:1] CC(C)[C@H]1N=N/C(=N\C(=O)c2cc(=O)c(co2)[*:1])S1
CC(C)[C@H]1N=N/C(=N\C(=O)c2cc(=O)c(OCc3ccccc3)co2)S1 c1ccc(cc1)[*:1] CC(C)[C@H]1N=N/C(=N\C(=O)c2cc(=O)c(co2)OC[*:1])S1
CC(C)[C@H]1N=N/C(=N\C(=O)c2cc(=O)c(OCc3ccccc3)co2)S1 CC(C)[*:1] O=C(/N=C1\N=N[C@@H](S1)[*:1])c1cc(=O)c(co1)OCc1ccccc1
CC(C)[C@H]1N=N/C(=N\C(=O)c2cc(=O)c(OCc3ccccc3)co2)S1 c1ccc(cc1)C[*:1] CC(C)[C@H]1N=N/C(=N\C(=O)c2cc(=O)c(co2)O[*:1])S1
CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@@H](c2ccccc2)NC(=O)N1 c1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)O[C@@H]1CCC[C@@H](C)C1)[*:1]
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(F)cc1 O=[N+]([O-])[*:1] O=C(CCNC(=O)c1ccc(cc1)[*:1])N/N=C/c1ccc(F)cc1
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCNC(=O)c1ccc(cc1)[N+](=O)[O-])NN=C[*:1]
C[C@@H](CNC(=O)c1ccccc1F)N1CCc2ccccc21 Fc1ccccc1[*:1] C[C@@H](CNC(=O)[*:1])N1CCc2ccccc21
CC[NH+](CC(=O)N(C)C)Cc1cc(F)cc(C#CC[NH3+])c1 CN(C)C(=O)[*:1] CC[NH+](Cc1cc(F)cc(C#CC[NH3+])c1)C[*:1]
CC[NH+](CC(=O)N(C)C)Cc1cc(F)cc(C#CC[NH3+])c1 [NH3+]CC#C[*:1] CC[NH+](CC(=O)N(C)C)Cc1cc(F)cc(c1)[*:1]
CC[NH+](CC(=O)N(C)C)Cc1cc(F)cc(C#CC[NH3+])c1 CN(C)C(=O)C[*:1] CC[NH+](Cc1cc(F)cc(C#CC[NH3+])c1)[*:1]
NC(=O)[C@@H]1CCCCN1C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 NC(=O)[*:1] O=C([O-])[C@@H]1C=C[C@@H](C1)NC(=O)N1CCCC[C@H]1[*:1]
NC(=O)[C@@H]1CCCCN1C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] NC(=O)[C@@H]1CCCCN1C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
COc1ccccc1-n1ccnc(NC(=O)c2ccc(C)cc2)c1=O COc1ccccc1[*:1] Cc1ccc(cc1)C(=O)Nc1nccn(c1=O)[*:1]
COc1ccccc1-n1ccnc(NC(=O)c2ccc(C)cc2)c1=O Cc1ccc(cc1)[*:1] COc1ccccc1-n1ccnc(NC(=O)[*:1])c1=O
Cn1ncnc1C[NH2+]C/C=C/c1ccc(C#N)cc1 Cn1ncnc1[*:1] N#Cc1ccc(/C=C/C[NH2+]C[*:1])cc1
Cc1nc(C)c(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1nc(C)c(CNC(=O)N[C@@H](CO)[*:1])s1
Cc1nc(C)c(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2)s1 Cc1nc(C)c(s1)[*:1] O=C(NC[*:1])N[C@@H](CO)c1ccc(Cl)cc1
CCCn1cc(NC(=O)Nc2cc(OC)c(Cl)cc2OC)cn1 CCC[*:1] COc1cc(NC(=O)Nc2cnn(c2)[*:1])c(cc1Cl)OC
Cc1cc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)ccn1 Cc1cc(ccn1)[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N[*:1]
CN(Cc1ccccc1)C(=O)CNC(=O)c1cnn2c1OCCC2 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CNC(=O)c1cnn2CCCOc12
CN(Cc1ccccc1)C(=O)CNC(=O)c1cnn2c1OCCC2 c1ccc(cc1)C[*:1] CN(C(=O)CNC(=O)c1cnn2CCCOc12)[*:1]
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccsc1 CCOC(=O)[*:1] N#CC1=C(N)OC(CSc2nc3CCCCCc3cc2C#N)=C([C@H]1c1ccsc1)[*:1]
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccsc1 c1cc(cs1)[*:1] CCOC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(N)=C(C#N)[C@H]1[*:1]
O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc(OC(F)F)cc1 Clc1ccccc1[*:1] O=C(NC[C@@H](O)[*:1])c1ccc(cc1)OC(F)F
O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc(cc1)[*:1]
O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc(cc1)O[*:1]
Cc1cc(C)n(-c2nccnc2SCc2nc(-c3cccc(F)c3)no2)n1 Cc1cc(C)n(n1)[*:1] Fc1cccc(c1)-c1noc(CSc2nccnc2[*:1])n1
Cc1cc(C)n(-c2nccnc2SCc2nc(-c3cccc(F)c3)no2)n1 Fc1cccc(c1)[*:1] Cc1cc(C)n(n1)-c1nccnc1SCc1nc(no1)[*:1]
C[NH+](C)Cc1cc(C[NH2+][C@@H](c2ccccn2)C2CCCC2)ccc1F c1ccc(nc1)[*:1] C[NH+](C)Cc1cc(ccc1F)C[NH2+][C@@H](C1CCCC1)[*:1]
C[NH+](C)Cc1cc(C[NH2+][C@@H](c2ccccn2)C2CCCC2)ccc1F C1CCC(C1)[*:1] C[NH+](C)Cc1cc(ccc1F)C[NH2+][C@@H](c1ccccn1)[*:1]
CC(C)[C@@H]1NC(=O)c2ccccc2N(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)[C@@H]1NC(=O)c2ccccc2N(C[*:1])C1=O
CC(C)[C@@H]1NC(=O)c2ccccc2N(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CC(C)[C@@H]1NC(=O)c2ccccc2N(C1=O)[*:1]
CC(C)[C@@H]1NC(=O)c2ccccc2N(Cc2ccccc2)C1=O CC(C)[*:1] O=C1N[C@H](C(=O)N(Cc2ccccc2)c2ccccc21)[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=O)CCc2c(C)noc2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1noc(C)c1CCC(=O)NNC(=O)CO[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=O)CCc2c(C)noc2C)c1 Cc1noc(C)c1C[*:1] Cc1cc(C)cc(c1)OCC(=O)NNC(=O)C[*:1]
Cc1cc(C)cc(OCC(=O)NNC(=O)CCc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] Cc1cc(C)cc(c1)OCC(=O)NNC(=O)CC[*:1]
Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc(cc1)[*:1]
O=c1[nH]c(-c2cccc(C(F)(F)F)c2)nc2ccccc12 FC(F)(F)[*:1] O=c1[nH]c(nc2ccccc12)-c1cccc(c1)[*:1]
CC(=O)C1=C(C)C(C(=O)OCCCn2c(=O)[nH]c3ccccc32)=N[C@@H]1C CC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)OCCCn1c(=O)[nH]c2ccccc21
Cc1cc(NC(=O)CCc2ccc(F)c(F)c2)ccc1C(=O)N(C)C Fc1ccc(cc1F)[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)CC[*:1]
Cc1cc(NC(=O)CCc2ccc(F)c(F)c2)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)CCc1ccc(F)c(F)c1
CC[C@H](C)C[NH2+]Cc1csc(N(C)C)n1 CC[C@H](C)[*:1] CN(C)c1nc(cs1)C[NH2+]C[*:1]
CC[C@H](C)C[NH2+]Cc1csc(N(C)C)n1 CC[C@H](C)C[*:1] CN(C)c1nc(cs1)C[NH2+][*:1]
CC[C@H](C)C[NH2+]Cc1csc(N(C)C)n1 CN(C)[*:1] CC[C@H](C)C[NH2+]Cc1csc(n1)[*:1]
Cc1nnc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3F)CC2)s1 Fc1ccccc1[*:1] Cc1nnc(NC(=O)[C@H](C)[NH+]2CCN(CC2)[*:1])s1
Cc1nnc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3F)CC2)s1 Cc1nnc(s1)[*:1] C[C@@H](C(=O)N[*:1])[NH+]1CCN(CC1)c1ccccc1F
CCOC1CCN(/C(NCC#Cc2ccccc2)=[NH+]\C)CC1 CCO[*:1] C/[NH+]=C(/NCC#Cc1ccccc1)N1CCC(CC1)[*:1]
CCOC1CCN(/C(NCC#Cc2ccccc2)=[NH+]\C)CC1 c1ccc(cc1)[*:1] CCOC1CCN(CC1)/C(NCC#C[*:1])=[NH+]\C
CSCCCCNC(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CSCCCCNC(=O)N1CCN(CC1)[*:1]
CSCCCCNC(=O)N1CCN(c2ccc(F)cc2)CC1 CSCC[*:1] O=C(NCC[*:1])N1CCN(CC1)c1ccc(F)cc1
CSCCCCNC(=O)N1CCN(c2ccc(F)cc2)CC1 CSCCC[*:1] O=C(NC[*:1])N1CCN(CC1)c1ccc(F)cc1
CSCCCCNC(=O)N1CCN(c2ccc(F)cc2)CC1 CSCCCC[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(F)cc1
CSCCCCNC(=O)N1CCN(c2ccc(F)cc2)CC1 CSC[*:1] O=C(NCCC[*:1])N1CCN(CC1)c1ccc(F)cc1
COc1ccc(NC(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N[*:1])N1CCN(CC1)c1nc2ccc(cc2s1)[N+](=O)[O-]
COc1ccc(NC(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)NC(=O)N1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1csnn1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1csnn1)[*:1]
CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1csnn1)c1cccc(F)c1 CCC(C)(C)NC(=O)[*:1] O=C(c1csnn1)N(c1cccc(F)c1)[C@@H](c1cccs1)[*:1]
CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1csnn1)c1cccc(F)c1 c1snnc1[*:1] CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)[*:1])c1cccc(F)c1
CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1csnn1)c1cccc(F)c1 CCC(C)(C)[*:1] O=C(N[*:1])[C@H](c1cccs1)N(C(=O)c1csnn1)c1cccc(F)c1
CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1csnn1)c1cccc(F)c1 c1csc(c1)[*:1] CCC(C)(C)NC(=O)[C@H](N(C(=O)c1csnn1)c1cccc(F)c1)[*:1]
COc1ccccc1C(=O)CC1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] COc1ccccc1C(=O)CC1CCC(CC1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N(Cc2cccs2)C2CC2)c1C C1CC1[*:1] CC(=O)c1c(C)[nH]c(C(=O)N(Cc2cccs2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N(Cc2cccs2)C2CC2)c1C c1csc(c1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N(C[*:1])C2CC2)c1C
CC(=O)c1c(C)[nH]c(C(=O)N(Cc2cccs2)C2CC2)c1C c1csc(c1)C[*:1] CC(=O)c1c(C)[nH]c(C(=O)N(C2CC2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N(Cc2cccs2)C2CC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N(Cc2cccs2)C2CC2)c(C)c1[*:1]
COC(=O)c1ccc([C@@H](C)Oc2ccc(Cl)cc2)o1 COC(=O)[*:1] C[C@@H](Oc1ccc(Cl)cc1)c1ccc(o1)[*:1]
CCC(CC)c1nnc(NC(=O)CN(C)C(=O)c2ccc(Br)s2)s1 Brc1ccc(s1)[*:1] CCC(CC)c1nnc(NC(=O)CN(C)C(=O)[*:1])s1
CCC(CC)c1nnc(NC(=O)CN(C)C(=O)c2ccc(Br)s2)s1 CCC(CC)[*:1] CN(CC(=O)Nc1nnc(s1)[*:1])C(=O)c1ccc(Br)s1
C[C@H](Oc1cccc(C#N)c1)C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)OC[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)O[*:1]
C[C@H](SC[C@@H](O)CO)C(=O)NC1CCCCC1 OC[C@H](O)C[*:1] C[C@H](S[*:1])C(=O)NC1CCCCC1
C[C@H](SC[C@@H](O)CO)C(=O)NC1CCCCC1 OC[C@H](O)[*:1] C[C@H](SC[*:1])C(=O)NC1CCCCC1
COc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1F C1CC1[*:1] COc1ccc(cc1F)[C@H](C)NC(=O)c1ccc(NC(=O)[*:1])s1
COc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1F O=C(N[*:1])C1CC1 COc1ccc(cc1F)[C@H](C)NC(=O)c1ccc(s1)[*:1]
CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(N)=O)C1 O=C([O-])CO[*:1] CC[C@@H]1CCc2c(C1)sc(NC(=O)C[*:1])c2C(N)=O
CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(N)=O)C1 O=C([O-])C[*:1] CC[C@@H]1CCc2c(C1)sc(NC(=O)CO[*:1])c2C(N)=O
CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(N)=O)C1 NC(=O)[*:1] CC[C@@H]1CCc2c(C1)sc(NC(=O)COCC(=O)[O-])c2[*:1]
CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(N)=O)C1 O=C([O-])[*:1] CC[C@@H]1CCc2c(C1)sc(NC(=O)COC[*:1])c2C(N)=O
CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(N)=O)C1 O=C([O-])COC[*:1] CC[C@@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
CN(CC[NH+]1CCCC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(CC[NH+]1CCCC1)CC(=O)N(C)c1ccc(cc1)[*:1]
Cc1nn(C)c2ncc(NC(=O)c3cc(C(N)=O)cn3C)cc12 NC(=O)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)c1cc(cn1C)[*:1]
O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(Nc1cccc(c1)-c1cn[nH]c1)[*:1]
O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccc(Br)s1 c1n[nH]cc1[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(Br)s1
CCC[C@H](C[NH3+])[C@@H](O)c1ccc(OC)c2ccccc12 CCC[*:1] COc1ccc(c2ccccc12)[C@H](O)[C@@H](C[NH3+])[*:1]
O=C(CNC(=O)NCc1ccccn1)NCc1ccccc1 c1ccc(nc1)[*:1] O=C(CNC(=O)NC[*:1])NCc1ccccc1
O=C(CNC(=O)NCc1ccccn1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)NCc1ccccn1)N[*:1]
O=C(CNC(=O)NCc1ccccn1)NCc1ccccc1 c1ccc(C[*:1])nc1 O=C(CNC(=O)N[*:1])NCc1ccccc1
O=C(CNC(=O)NCc1ccccn1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)NCc1ccccn1)NC[*:1]
COC(=O)[C@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@@H]1[*:1])C(=O)Cc1ccc(Cl)c(Cl)c1
CCC1=C(C)[C@@H](NC(=O)c2cc(=O)[nH]c(=O)[nH]2)N(c2ccccc2)N1 c1ccc(cc1)[*:1] CCC1NN([C@H](NC(=O)c2cc(=O)[nH]c(=O)[nH]2)C=1C)[*:1]
CCC1=C(C)[C@@H](NC(=O)c2cc(=O)[nH]c(=O)[nH]2)N(c2ccccc2)N1 O=c1cc([nH]c(=O)[nH]1)[*:1] CCC1NN(c2ccccc2)[C@H](NC(=O)[*:1])C=1C
Cc1cc(C)n2nc(CC(=O)Oc3ccc(-n4cnnn4)cc3)nc2n1 c1nnnn1[*:1] Cc1cc(C)n2nc(CC(=O)Oc3ccc(cc3)[*:1])nc2n1
COc1ccc2c(C)c(C(=O)Nc3ccccc3N3CCNC(=O)C3)oc2c1 O=C1CN(CCN1)[*:1] COc1ccc2c(C)c(oc2c1)C(=O)Nc1ccccc1[*:1]
C[C@@H](NC(=O)CCn1cncn1)c1c(F)cccc1Cl c1ncn(C[*:1])n1 C[C@@H](NC(=O)C[*:1])c1c(F)cccc1Cl
C[C@@H](NC(=O)CCn1cncn1)c1c(F)cccc1Cl c1ncn(n1)[*:1] C[C@@H](NC(=O)CC[*:1])c1c(F)cccc1Cl
O=C([O-])[C@@H]1[NH2+]CC[C@H]1c1ccc2c(c1)OCCCO2 O=C([O-])[*:1] c1cc2OCCCOc2cc1[C@@H]1CC[NH2+][C@H]1[*:1]
COc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1 COc1ccc(cc1)[*:1] CC1(C)CC(=O)c2cc(C(=O)N[*:1])c(=O)[nH]c2C1
Cc1ccccc1C(=O)N[C@@H](C(=O)NNc1cccnc1Cl)C(C)C Clc1ncccc1[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)NN[*:1])C(C)C
Cc1ccccc1C(=O)N[C@@H](C(=O)NNc1cccnc1Cl)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)NNc1cccnc1Cl)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)NNc1cccnc1Cl)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NNc1cccnc1Cl
C#CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cc(C)ccc21 C#CC[*:1] COc1ccc(cc1OC)C(=O)/N=c1\sc2cc(C)ccc2n1[*:1]
C#C[C@](C)(CC)NC(=O)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 Clc1ccc(cc1)[*:1] C#C[C@](C)(CC)NC(=O)[C@@H]1CC(=NO1)[*:1]
CC1(C)CCC[C@@](C[NH3+])(CC2CCCCC2)[C@@H]1O C1CCC(CC1)[*:1] CC1(C)CCC[C@@](C[NH3+])(C[*:1])[C@@H]1O
COc1ccccc1-n1c(SCC#N)nc2c(sc(=S)n2-c2ccc(Cl)c(C)c2)c1=O N#CCS[*:1] COc1ccccc1-n1c(nc2c(sc(=S)n2-c2ccc(Cl)c(C)c2)c1=O)[*:1]
COc1ccccc1-n1c(SCC#N)nc2c(sc(=S)n2-c2ccc(Cl)c(C)c2)c1=O N#CC[*:1] COc1ccccc1-n1c(nc2c(sc(=S)n2-c2ccc(Cl)c(C)c2)c1=O)S[*:1]
COc1ccccc1-n1c(SCC#N)nc2c(sc(=S)n2-c2ccc(Cl)c(C)c2)c1=O COc1ccccc1[*:1] Cc1cc(ccc1Cl)-n1c(=S)sc2c(=O)n(c(nc21)SCC#N)[*:1]
COc1ccccc1-n1c(SCC#N)nc2c(sc(=S)n2-c2ccc(Cl)c(C)c2)c1=O Cc1cc(ccc1Cl)[*:1] COc1ccccc1-n1c(nc2c(sc(=S)n2[*:1])c1=O)SCC#N
Cc1sc2nc(/C(C#N)=C\c3ccccc3Cl)nc([O-])c2c1C Clc1ccccc1[*:1] Cc1sc2nc(nc([O-])c2c1C)C(C#N)=C[*:1]
O=C(CC1CCC1)NCCCN1C(=O)CCC1=O C1CC(C1)C[*:1] O=C1CCC(=O)N1CCCNC(=O)[*:1]
O=C(CC1CCC1)NCCCN1C(=O)CCC1=O C1CC(C1)[*:1] O=C(C[*:1])NCCCN1C(=O)CCC1=O
CC(=O)C1=C(C)C(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1cccc2nsnc12
CC(=O)C1=C(C)C(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)=N[C@H]1C c1cc(c2nsnc2c1)[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C1C[C@@H](C(=O)Nc2cccc(Br)c2)C2(CCCCC2)O1 Brc1cccc(c1)[*:1] O=C1C[C@@H](C(=O)N[*:1])C2(CCCCC2)O1
CC(C)NC(=O)c1cn(CCN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nn1 Fc1cccc(F)c1[*:1] CC(C)NC(=O)c1cn(CCN2CCN(CC2)S(=O)(=O)[*:1])nn1
CC(C)NC(=O)c1cn(CCN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nn1 CC(C)[*:1] O=C(N[*:1])c1cn(CCN2CCN(CC2)S(=O)(=O)c2c(F)cccc2F)nn1
CC(C)NC(=O)c1cn(CCN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nn1 CC(C)NC(=O)[*:1] O=S(=O)(c1c(F)cccc1F)N1CCN(CC1)CCn1cc(nn1)[*:1]
COc1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] COc1ccccc1NC(=S)NC(=O)c1cccc(c1C)[*:1]
COc1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C COc1ccccc1[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NC(=S)N[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccccc1OCc1cscn1 c1nc(cs1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccccc1OC[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccccc1OCc1cscn1 c1nc(cs1)CO[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccccc1[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccccc1OCc1cscn1 Cc1n[nH]c(C)c1C[*:1] C[C@@H](C(=O)Nc1ccccc1OCc1cscn1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccccc1OCc1cscn1 Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)Nc1ccccc1OCc1cscn1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccccc1OCc1cscn1 c1nc(cs1)C[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccccc1O[*:1]
Cc1cc(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)no1 Cc1cc(no1)[*:1] O=C(N[C@H]1CCCN(C1=O)c1ccccc1F)N[*:1]
Cc1cc(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)no1 Fc1ccccc1[*:1] Cc1cc(no1)NC(=O)N[C@H]1CCCN(C1=O)[*:1]
C[C@H](NC(=O)CSC1CCCC1)c1ccc(Cl)cc1Cl C1CCC(C1)[*:1] C[C@H](NC(=O)CS[*:1])c1ccc(Cl)cc1Cl
C[C@H](NC(=O)CSC1CCCC1)c1ccc(Cl)cc1Cl C1CCC(C1)S[*:1] C[C@H](NC(=O)C[*:1])c1ccc(Cl)cc1Cl
Cc1cccc(CSC2=NN[C@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2c2cc(C)ccc2C)c1 O=c1cc([nH]c(=O)[nH]1)[*:1] Cc1cccc(c1)CSC1=NN[C@H](C[*:1])N1c1cc(C)ccc1C
Cc1cccc(CSC2=NN[C@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2c2cc(C)ccc2C)c1 Cc1cccc(c1)C[*:1] Cc1ccc(C)c(c1)N1C(=NN[C@@H]1Cc1cc(=O)[nH]c(=O)[nH]1)S[*:1]
Cc1cccc(CSC2=NN[C@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2c2cc(C)ccc2C)c1 Cc1cccc(c1)[*:1] Cc1ccc(C)c(c1)N1C(=NN[C@@H]1Cc1cc(=O)[nH]c(=O)[nH]1)SC[*:1]
Cc1cccc(CSC2=NN[C@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2c2cc(C)ccc2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1cccc(c1)CSC1=NN[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1[*:1]
N#C[C@@]1(NC2CC2)CC[C@H](Sc2ccc(Br)cc2)C1 C1CC1N[*:1] N#C[C@]1(CC[C@@H](C1)Sc1ccc(Br)cc1)[*:1]
N#C[C@@]1(NC2CC2)CC[C@H](Sc2ccc(Br)cc2)C1 C1CC1[*:1] N#C[C@]1(CC[C@@H](C1)Sc1ccc(Br)cc1)N[*:1]
CSc1ccc(NC(=O)NC2CCN(c3ncccn3)CC2)cc1 c1cnc(nc1)[*:1] CSc1ccc(cc1)NC(=O)NC1CCN(CC1)[*:1]
CSc1ccc(NC(=O)NC2CCN(c3ncccn3)CC2)cc1 CSc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)c1ncccn1)N[*:1]
CC[C@@H](C[NH2+][C@@H](C)c1cnc(C)s1)Oc1ccccc1F Fc1ccccc1[*:1] CC[C@@H](C[NH2+][C@@H](C)c1cnc(C)s1)O[*:1]
CC[C@@H](C[NH2+][C@@H](C)c1cnc(C)s1)Oc1ccccc1F Cc1ncc(s1)[*:1] CC[C@@H](C[NH2+][C@@H](C)[*:1])Oc1ccccc1F
C[C@@H]1OCC[C@H]1C(=O)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1c[nH]nc1[*:1]
CSC[C@@H](C)N(C)C(=O)N[C@H]1CCCc2ccc(F)cc21 CSC[*:1] C[C@@H](N(C)C(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
O=C(NCc1cccc(C(=O)N2CCCC2)c1)c1nccn2ccnc12 O=C(N1CCCC1)[*:1] O=C(NCc1cccc(c1)[*:1])c1nccn2ccnc12
COc1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc(Cl)c1OC c1ccc(cc1)C[*:1] COc1cc(cc(Cl)c1OC)C(=O)NC[C@@H]1CN(CCO1)[*:1]
COc1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc(Cl)c1OC c1ccc(cc1)[*:1] COc1cc(cc(Cl)c1OC)C(=O)NC[C@@H]1CN(CCO1)C[*:1]
N#CCc1ccc(S(=O)(=O)N[C@@H]2[C@@H]([NH3+])[C@H]3CCO[C@@H]32)cc1 N#CC[*:1] [NH3+][C@H]1[C@H]2CCO[C@@H]2[C@@H]1NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(CSCCNC(=O)N2CCN(Cc3ccncc3)CC2)cc1 Cc1ccc(cc1)CS[*:1] O=C(NCC[*:1])N1CCN(CC1)Cc1ccncc1
Cc1ccc(CSCCNC(=O)N2CCN(Cc3ccncc3)CC2)cc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1)CSCCNC(=O)N1CCN(CC1)[*:1]
Cc1ccc(CSCCNC(=O)N2CCN(Cc3ccncc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCSC[*:1])N1CCN(CC1)Cc1ccncc1
Cc1ccc(CSCCNC(=O)N2CCN(Cc3ccncc3)CC2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)CSCCNC(=O)N1CCN(CC1)C[*:1]
Cc1ccc(CSCCNC(=O)N2CCN(Cc3ccncc3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(NCCS[*:1])N1CCN(CC1)Cc1ccncc1
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(C)c1ccccc12 CCOC(=O)[*:1] CC1OC(N)=C(C#N)[C@@]2(C(=O)N(C)c3ccccc32)C=1[*:1]
CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2C(F)(F)F)C1 FC(F)(F)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(Br)cc1[*:1]
O=C([O-])COc1ccccc1-c1ccccc1 O=C([O-])C[*:1] c1ccc(cc1)-c1ccccc1O[*:1]
O=C([O-])COc1ccccc1-c1ccccc1 O=C([O-])CO[*:1] c1ccc(cc1)-c1ccccc1[*:1]
O=C([O-])COc1ccccc1-c1ccccc1 O=C([O-])[*:1] c1ccc(cc1)-c1ccccc1OC[*:1]
CC1(CNC(=O)NNC(=O)[C@H]2CCCO2)Cc2ccccc2C1 C1CO[C@H](C1)[*:1] CC1(CNC(=O)NNC(=O)[*:1])Cc2ccccc2C1
C[C@H](NC(=O)N1CCOC[C@@H]1C1CC1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)N1CCOC[C@@H]1C1CC1)[*:1]
C[C@H](NC(=O)N1CCOC[C@@H]1C1CC1)[C@H]1CCCO1 C1CC1[*:1] C[C@H](NC(=O)N1CCOC[C@H]1[*:1])[C@H]1CCCO1
COC(=O)[C@H](C)C[S@@](=O)Cc1ncn(-c2ccccc2)n1 COC(=O)[C@H](C)C[*:1] O=[S@@](Cc1ncn(n1)-c1ccccc1)[*:1]
COC(=O)[C@H](C)C[S@@](=O)Cc1ncn(-c2ccccc2)n1 COC(=O)[C@H](C)[*:1] O=[S@@](Cc1ncn(n1)-c1ccccc1)C[*:1]
COC(=O)[C@H](C)C[S@@](=O)Cc1ncn(-c2ccccc2)n1 COC(=O)[*:1] C[C@H](C[S@@](=O)Cc1ncn(n1)-c1ccccc1)[*:1]
COC(=O)[C@H](C)C[S@@](=O)Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)C[S@@](=O)Cc1ncn(n1)[*:1]
CC(C)c1nc(C(=O)N[C@H](CO)CC(C)(C)C)nn1-c1ccccc1F CC(C)(C)[*:1] CC(C)c1nc(nn1-c1ccccc1F)C(=O)N[C@H](CO)C[*:1]
CC(C)c1nc(C(=O)N[C@H](CO)CC(C)(C)C)nn1-c1ccccc1F CC(C)[*:1] CC(C)(C)C[C@@H](CO)NC(=O)c1nc(n(n1)-c1ccccc1F)[*:1]
CC(C)c1nc(C(=O)N[C@H](CO)CC(C)(C)C)nn1-c1ccccc1F Fc1ccccc1[*:1] CC(C)c1nc(nn1[*:1])C(=O)N[C@H](CO)CC(C)(C)C
CC(C)c1nc(C(=O)N[C@H](CO)CC(C)(C)C)nn1-c1ccccc1F CC(C)(C)C[*:1] CC(C)c1nc(nn1-c1ccccc1F)C(=O)N[C@H](CO)[*:1]
C/C(=N\O)c1cc(F)ccc1O[C@@H](C)[C@@H](C)O CC(=NO)[*:1] C[C@H](Oc1ccc(F)cc1[*:1])[C@@H](C)O
C/C(=N\O)c1cc(F)ccc1O[C@@H](C)[C@@H](C)O C[C@@H](O)[*:1] C/C(=N\O)c1cc(F)ccc1O[C@@H](C)[*:1]
C[C@@H](c1ccc(-c2nccn2Cc2ccccn2)cc1)[NH+](C)C c1ccc(nc1)[*:1] C[C@@H](c1ccc(cc1)-c1nccn1C[*:1])[NH+](C)C
C[C@@H](c1ccc(-c2nccn2Cc2ccccn2)cc1)[NH+](C)C c1ccc(C[*:1])nc1 C[C@@H](c1ccc(cc1)-c1nccn1[*:1])[NH+](C)C
COc1cc2ccccc2cc1C(=O)NC(=S)NNC(=O)c1ccncc1 c1cc(ccn1)[*:1] COc1cc2ccccc2cc1C(=O)NC(=S)NNC(=O)[*:1]
CC[C@@](C)(NC(=O)CCc1c[nH]c2ccc(C)cc12)c1nccs1 c1csc(n1)[*:1] CC[C@@](C)(NC(=O)CCc1c[nH]c2ccc(C)cc12)[*:1]
C=CCOc1ccc(/C=C/c2ncc(C(=O)OC)s2)cc1 COC(=O)[*:1] C=CCOc1ccc(/C=C/c2ncc(s2)[*:1])cc1
C=CCOc1ccc(/C=C/c2ncc(C(=O)OC)s2)cc1 C=CC[*:1] COC(=O)c1cnc(/C=C/c2ccc(cc2)O[*:1])s1
C=CCOc1ccc(/C=C/c2ncc(C(=O)OC)s2)cc1 C=CCO[*:1] COC(=O)c1cnc(/C=C/c2ccc(cc2)[*:1])s1
CCOC(=O)Cc1csc(NC(=O)c2nc(C)sc2-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] CCOC(=O)Cc1csc(n1)NC(=O)c1nc(C)sc1[*:1]
CCOC(=O)Cc1csc(NC(=O)c2nc(C)sc2-c2cccc(F)c2)n1 CCOC(=O)C[*:1] Cc1nc(C(=O)Nc2nc(cs2)[*:1])c(s1)-c1cccc(F)c1
CCOC(=O)Cc1csc(NC(=O)c2nc(C)sc2-c2cccc(F)c2)n1 CCOC(=O)[*:1] Cc1nc(C(=O)Nc2nc(cs2)C[*:1])c(s1)-c1cccc(F)c1
Cn1c(=N)n(CC(=O)c2ccc(Br)s2)c2ccccc21 Brc1ccc(s1)[*:1] Cn1c(=N)n(CC(=O)[*:1])c2ccccc21
C[C@@H](CC(=O)NCC1(O)CCSCC1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](CC(=O)NCC1(O)CCSCC1)[*:1]
C[C@@H](CC(=O)NCC1(O)CCSCC1)c1cccc(F)c1 OC1(CCSCC1)[*:1] C[C@@H](CC(=O)NC[*:1])c1cccc(F)c1
CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CCCNC(=O)C[NH+]1CCC(CC1)NC(=O)N[*:1]
CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(C)c2)CC1 CCC[*:1] Cc1cccc(c1)NC(=O)NC1CC[NH+](CC1)CC(=O)N[*:1]
CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(C)c2)CC1 CCCNC(=O)C[*:1] Cc1cccc(c1)NC(=O)NC1CC[NH+](CC1)[*:1]
CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(C)c2)CC1 CCCNC(=O)[*:1] Cc1cccc(c1)NC(=O)NC1CC[NH+](CC1)C[*:1]
COc1ccccc1OCC(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1 COc1ccccc1O[*:1] CC1CCN(CC1)S(=O)(=O)c1nnc(NC(=O)C[*:1])s1
COc1ccccc1OCC(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1 COc1ccccc1[*:1] CC1CCN(CC1)S(=O)(=O)c1nnc(NC(=O)CO[*:1])s1
C[C@]([NH3+])(C(=O)[O-])c1ccc(F)c(Br)c1 O=C([O-])[*:1] C[C@]([NH3+])(c1ccc(F)c(Br)c1)[*:1]
C[C@@]1(C[NH2+]C[C@H](O)c2cc(Cl)ccc2Cl)CCCO1 C[C@]1(CCCO1)[*:1] O[C@@H](C[NH2+]C[*:1])c1cc(Cl)ccc1Cl
CC[C@H](CO)[NH+]1CCN(Cc2ccc(C(=O)N(C)C)[nH]2)CC1 CN(C)C(=O)[*:1] CC[C@H](CO)[NH+]1CCN(CC1)Cc1ccc([nH]1)[*:1]
COc1cccc2c1OC[C@H](Cc1ccc(C(=O)N3CCCCC3)cn1)C2 O=C(N1CCCCC1)[*:1] COc1cccc2C[C@H](COc21)Cc1ccc(cn1)[*:1]
CCOc1cc(/C=C/C(=O)Nc2cccc(OC)c2)ccc1OC COc1cccc(c1)[*:1] CCOc1cc(/C=C/C(=O)N[*:1])ccc1OC
CCOc1cc(/C=C/C(=O)Nc2cccc(OC)c2)ccc1OC CCO[*:1] COc1cccc(c1)NC(=O)/C=C/c1ccc(OC)c(c1)[*:1]
CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(s1)S(=O)(=O)NC[*:1]
CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)s1 CN(C)C(=O)[*:1] O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(s1)[*:1]
C[C@H](NC(=O)c1ccccc1)C(=O)OCc1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)OCc1ccc(Cl)c(Cl)c1
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccc2c(c1)CCO2 CC[C@@H](C)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)Cc1ccc2OCCc2c1
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccc2c(c1)CCO2 CC[C@@H](C)NC(=O)[*:1] O=C(Cc1ccc2OCCc2c1)N1CSC[C@@H]1[*:1]
Clc1ccccc1CN1CC(c2nc(-c3cccs3)no2)C1 c1csc(c1)[*:1] Clc1ccccc1CN1CC(C1)c1nc(no1)[*:1]
Clc1ccccc1CN1CC(c2nc(-c3cccs3)no2)C1 Clc1ccccc1[*:1] c1csc(c1)-c1noc(n1)C1CN(C1)C[*:1]
CC(C)C(=O)N1CCCc2cc(NS(=O)(=O)c3cccs3)ccc21 CC(C)[*:1] O=C(N1CCCc2cc(ccc21)NS(=O)(=O)c1cccs1)[*:1]
CC(C)C(=O)N1CCCc2cc(NS(=O)(=O)c3cccs3)ccc21 c1csc(c1)[*:1] CC(C)C(=O)N1CCCc2cc(ccc21)NS(=O)(=O)[*:1]
O=[N+]([O-])c1ccc(N2CCC[C@H]2Cc2cccc(F)c2)nc1 Fc1cccc(c1)[*:1] O=[N+]([O-])c1ccc(nc1)N1CCC[C@H]1C[*:1]
O=[N+]([O-])c1ccc(N2CCC[C@H]2Cc2cccc(F)c2)nc1 O=[N+]([O-])[*:1] Fc1cccc(c1)C[C@@H]1CCCN1c1ccc(cn1)[*:1]
CC(C)c1cc(NC2CC[NH+](C3CCN(C)CC3)CC2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1nc(cc(n1)[*:1])NC1CC[NH+](CC1)C1CCN(C)CC1
CC(C)c1cc(NC2CC[NH+](C3CCN(C)CC3)CC2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1cc(nc(n1)[*:1])NC1CC[NH+](CC1)C1CCN(C)CC1
CC(C)c1cc(NC2CC[NH+](C3CCN(C)CC3)CC2)nc(C(C)C)n1 CN1CCC(CC1)[*:1] CC(C)c1cc(nc(n1)C(C)C)NC1CC[NH+](CC1)[*:1]
CCCCN(CCOC)C(=O)Nc1cccc(C)c1C COC[*:1] CCCCN(C[*:1])C(=O)Nc1cccc(C)c1C
CCCCN(CCOC)C(=O)Nc1cccc(C)c1C COCC[*:1] CCCCN(C(=O)Nc1cccc(C)c1C)[*:1]
CCCCN(CCOC)C(=O)Nc1cccc(C)c1C CCCC[*:1] COCCN(C(=O)Nc1cccc(C)c1C)[*:1]
CCCCN(CCOC)C(=O)Nc1cccc(C)c1C CCC[*:1] COCCN(C[*:1])C(=O)Nc1cccc(C)c1C
Cn1ncc(N2CC[C@H](CNC(=O)c3cccc4c3ccn4C)C2)cc1=O Cn1ncc(cc1=O)[*:1] Cn1ccc2c(cccc21)C(=O)NC[C@H]1CCN(C1)[*:1]
CC[C@@H](CO)N1CCN(C(=O)Nc2ccccc2N(C)CC)CC1 CC[C@@H](CO)[*:1] CCN(C)c1ccccc1NC(=O)N1CCN(CC1)[*:1]
CC[C@@H](CO)N1CCN(C(=O)Nc2ccccc2N(C)CC)CC1 CCN(C)[*:1] CC[C@@H](CO)N1CCN(CC1)C(=O)Nc1ccccc1[*:1]
OCCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 OCCC[*:1] Brc1ccc(cc1)[C@@H]([NH2+][*:1])C1CC1
OCCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 OCC[*:1] Brc1ccc(cc1)[C@@H]([NH2+]C[*:1])C1CC1
OCCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 C1CC1[*:1] OCCC[NH2+][C@H](c1ccc(Br)cc1)[*:1]
C[C@@H](SCc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC(C)(C)C Clc1ccc(cc1)[*:1] C[C@@H](SCc1nc(no1)[*:1])C(=O)NC(C)(C)C
C[C@@H](SCc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](SCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
C[C@@H](SCc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](SCc1nc(no1)-c1ccc(Cl)cc1)C(=O)N[*:1]
Cc1cccn2cc(CNC(=O)CCc3ccc(F)cc3)[nH+]c12 Fc1ccc(cc1)[*:1] Cc1cccn2cc(CNC(=O)CC[*:1])[nH+]c12
O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=C(CCn1nc(ccc1=O)-c1ccc(Cl)cc1)NC[*:1]
O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1cc(F)cc(F)c1 Clc1ccc(cc1)[*:1] O=C(CCn1nc(ccc1=O)[*:1])NCc1cc(F)cc(F)c1
O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)C[*:1] O=C(CCn1nc(ccc1=O)-c1ccc(Cl)cc1)N[*:1]
CCS[C@@H]1CCCCN(C(=O)C(=O)Nc2cc(C)cc3cccnc23)C1 CCS[*:1] Cc1cc(NC(=O)C(=O)N2CCCC[C@H](C2)[*:1])c2ncccc2c1
Cc1ncsc1CN(Cc1ccccc1)C(=O)CSc1ccc2nnc(C)n2n1 Cc1ncsc1[*:1] Cc1nnc2ccc(nn12)SCC(=O)N(Cc1ccccc1)C[*:1]
Cc1ncsc1CN(Cc1ccccc1)C(=O)CSc1ccc2nnc(C)n2n1 Cc1ncsc1C[*:1] Cc1nnc2ccc(nn12)SCC(=O)N(Cc1ccccc1)[*:1]
Cc1ncsc1CN(Cc1ccccc1)C(=O)CSc1ccc2nnc(C)n2n1 c1ccc(cc1)C[*:1] Cc1ncsc1CN(C(=O)CSc1ccc2nnc(C)n2n1)[*:1]
Cc1ncsc1CN(Cc1ccccc1)C(=O)CSc1ccc2nnc(C)n2n1 c1ccc(cc1)[*:1] Cc1ncsc1CN(C[*:1])C(=O)CSc1ccc2nnc(C)n2n1
CN(c1ccc(-c2nc(Cc3ccc(F)cc3)no2)c[nH+]1)C1CCOCC1 CN(C1CCOCC1)[*:1] Fc1ccc(cc1)Cc1noc(n1)-c1ccc([nH+]c1)[*:1]
CN(c1ccc(-c2nc(Cc3ccc(F)cc3)no2)c[nH+]1)C1CCOCC1 C1CC(CCO1)[*:1] CN(c1ccc(c[nH+]1)-c1nc(Cc2ccc(F)cc2)no1)[*:1]
CN(c1ccc(-c2nc(Cc3ccc(F)cc3)no2)c[nH+]1)C1CCOCC1 Fc1ccc(cc1)[*:1] CN(c1ccc(c[nH+]1)-c1nc(C[*:1])no1)C1CCOCC1
CN(c1ccc(-c2nc(Cc3ccc(F)cc3)no2)c[nH+]1)C1CCOCC1 Fc1ccc(cc1)C[*:1] CN(c1ccc(c[nH+]1)-c1nc(no1)[*:1])C1CCOCC1
COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C(C)=O)cc2)c1 COc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)C(=O)N(C[C@H]1CCCO1)C[*:1]
COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C(C)=O)cc2)c1 CC(=O)[*:1] COc1cccc(c1)CN(C[C@H]1CCCO1)C(=O)c1ccc(cc1)[*:1]
COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C(C)=O)cc2)c1 COc1cccc(c1)C[*:1] CC(=O)c1ccc(cc1)C(=O)N(C[C@H]1CCCO1)[*:1]
COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C(C)=O)cc2)c1 CC(=O)c1ccc(cc1)[*:1] COc1cccc(c1)CN(C[C@H]1CCCO1)C(=O)[*:1]
COc1cc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)ccc1OCC(C)C CC(C)[*:1] COc1cc(ccc1OC[*:1])[C@H]1CC(=O)N(c2ccccc2)c2c1sc(=O)n2C
COc1cc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)ccc1OCC(C)C CC(C)CO[*:1] COc1cc(ccc1[*:1])[C@H]1CC(=O)N(c2ccccc2)c2c1sc(=O)n2C
COc1cc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)ccc1OCC(C)C CC(C)C[*:1] COc1cc(ccc1O[*:1])[C@H]1CC(=O)N(c2ccccc2)c2c1sc(=O)n2C
COc1cc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)ccc1OCC(C)C c1ccc(cc1)[*:1] COc1cc(ccc1OCC(C)C)[C@H]1CC(=O)N(c2c1sc(=O)n2C)[*:1]
O=[N+]([O-])c1cccc(-c2ccc(/C=C3\SC(=S)N=C3[O-])s2)c1 O=[N+]([O-])[*:1] [O-]C1=NC(=S)S/C1=C\c1ccc(s1)-c1cccc(c1)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 Cc1noc(C)c1[*:1] Cc1nccn1-c1ccc(cc1)[C@H](C)NC(=O)[C@@H](C)[*:1]
Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 Cc1nccn1[*:1] Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
C=CCOc1ccccc1/C=C1\S/C(=N\c2nccs2)N(CC)C1=O C=CCO[*:1] CCN1C(=O)/C(=C/c2ccccc2[*:1])S/C1=N\c1nccs1
C=CCOc1ccccc1/C=C1\S/C(=N\c2nccs2)N(CC)C1=O c1csc(n1)[*:1] C=CCOc1ccccc1/C=C1\SC(=N[*:1])N(CC)C1=O
C=CCOc1ccccc1/C=C1\S/C(=N\c2nccs2)N(CC)C1=O C=CC[*:1] CCN1C(=O)/C(=C/c2ccccc2O[*:1])S/C1=N\c1nccs1
C[C@H]([NH2+]CC/N=C(\O)c1ncccc1O)c1ccccc1N(C)C Oc1cccnc1[*:1] C[C@H]([NH2+]CC/N=C(\O)[*:1])c1ccccc1N(C)C
C[C@H]([NH2+]CC/N=C(\O)c1ncccc1O)c1ccccc1N(C)C CN(C)[*:1] C[C@H]([NH2+]CC/N=C(\O)c1ncccc1O)c1ccccc1[*:1]
COC(=O)Nc1ccc(NC(=O)CSc2nccn2C)cc1 Cn1ccnc1S[*:1] COC(=O)Nc1ccc(cc1)NC(=O)C[*:1]
COC(=O)Nc1ccc(NC(=O)CSc2nccn2C)cc1 Cn1ccnc1[*:1] COC(=O)Nc1ccc(cc1)NC(=O)CS[*:1]
COC(=O)Nc1ccc(NC(=O)CSc2nccn2C)cc1 COC(=O)N[*:1] Cn1ccnc1SCC(=O)Nc1ccc(cc1)[*:1]
O=C1CCc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCC3)nc2N1 c1ccc(cc1)[*:1] O=C1CCc2ccc(nc2N1)C(=O)N[C@@H](C[*:1])C(=O)N1CCCC1
O=C1CCc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCC3)nc2N1 O=C(N1CCCC1)[*:1] O=C1CCc2ccc(nc2N1)C(=O)N[C@@H](Cc1ccccc1)[*:1]
O=C1CCc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCC3)nc2N1 c1ccc(cc1)C[*:1] O=C1CCc2ccc(nc2N1)C(=O)N[C@@H](C(=O)N1CCCC1)[*:1]
Cc1c(C(=O)NC[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NC[C@H]1COc2ccccc2O1
C[C@H](CCCO)Nc1cc[nH+]c2cc(Cl)ccc12 OCC[*:1] C[C@H](C[*:1])Nc1cc[nH+]c2cc(Cl)ccc12
C[C@H](CCCO)Nc1cc[nH+]c2cc(Cl)ccc12 OCCC[*:1] C[C@H](Nc1cc[nH+]c2cc(Cl)ccc12)[*:1]
C[C@H](CCCO)Nc1cc[nH+]c2cc(Cl)ccc12 C[C@H](CCCO)[*:1] Clc1ccc2c(cc[nH+]c2c1)N[*:1]
CC(C)C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCCCC1=O CC(C)C[*:1] O=C(Nc1ccc2OCCCOc2c1)[C@H](N1CCCCC1=O)[*:1]
CC(C)C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@H](C(=O)Nc1ccc2OCCCOc2c1)[*:1]
CC(C)C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCCCC1=O CC(C)[*:1] O=C(Nc1ccc2OCCCOc2c1)[C@@H](C[*:1])N1CCCCC1=O
N#Cc1c(N)nc2c(c1-c1cccn1-c1ccncc1)C[C@H]([NH3+])CC2 c1cc(ccn1)[*:1] N#Cc1c(N)nc2CC[C@@H]([NH3+])Cc2c1-c1cccn1[*:1]
COc1ccc([C@@H](NC(=O)NCCN2CCOCC2)C2CC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)NCC[*:1])C1CC1
COc1ccc([C@@H](NC(=O)NCCN2CCOCC2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)NCCN1CCOCC1)[*:1]
COc1ccc([C@@H](NC(=O)NCCN2CCOCC2)C2CC2)cc1 C1CN(CCO1)CC[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[*:1])C1CC1
COc1ccc([C@@H](NC(=O)NCCN2CCOCC2)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)N[C@@H](C1CC1)[*:1]
COc1ccc([C@@H](NC(=O)NCCN2CCOCC2)C2CC2)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)[C@@H](NC(=O)NC[*:1])C1CC1
Cc1ccccc1NC(=O)N1C[C@@H](C)Oc2ccc(Cl)cc21 Cc1ccccc1[*:1] C[C@@H]1CN(C(=O)N[*:1])c2cc(Cl)ccc2O1
S=c1sc(C2CC2)nn1CN1CCO[C@@H](c2ccccc2Cl)C1 C1CC1[*:1] S=c1sc(nn1CN1CCO[C@H](C1)c1ccccc1Cl)[*:1]
S=c1sc(C2CC2)nn1CN1CCO[C@@H](c2ccccc2Cl)C1 Clc1ccccc1[*:1] S=c1sc(nn1CN1CCO[C@@H](C1)[*:1])C1CC1
C[C@@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C[C@@H](OC(=O)C1C=CC2=NS(=O)(=O)CCN2C=1)C(=O)N[*:1]
CNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1 CNC(=O)[*:1] COc1ccc(/C=C(\NC(=O)c2ccccc2)[*:1])cc1
CNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)/C(=C/c1ccc(cc1)OC)NC(=O)[*:1]
Cn1c(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c(Br)c2ccccc21 C1CO[C@H](C1)CO[*:1] Cn1c(C(=O)Nc2ccc(cc2)[*:1])c(Br)c2ccccc21
C=CCN1C(=O)N=C(N)[C@]12CCO[C@@H](CCC)C2 CCC[*:1] C=CCN1C(=O)N=C(N)[C@]12CCO[C@@H](C2)[*:1]
C=CCN1C(=O)N=C(N)[C@]12CCO[C@@H](CCC)C2 C=CC[*:1] CCC[C@H]1C[C@]2(CCO1)C(N)=NC(=O)N2[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC(=O)Nc1nccs1)C2=O c1csc(n1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC(=O)N[*:1])C2=O
Cc1cc(CNC(=O)[C@H](CC(C)C)NC2=NS(=O)(=O)c3ccccc32)ccc1F Cc1cc(ccc1F)C[*:1] CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[*:1]
Cc1cc(CNC(=O)[C@H](CC(C)C)NC2=NS(=O)(=O)c3ccccc32)ccc1F CC(C)C[*:1] Cc1cc(ccc1F)CNC(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)[*:1]
Cc1cc(CNC(=O)[C@H](CC(C)C)NC2=NS(=O)(=O)c3ccccc32)ccc1F Cc1cc(ccc1F)[*:1] CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[*:1]
Cc1cc(CNC(=O)[C@H](CC(C)C)NC2=NS(=O)(=O)c3ccccc32)ccc1F CC(C)[*:1] Cc1cc(ccc1F)CNC(=O)[C@H](C[*:1])NC1=NS(=O)(=O)c2ccccc21
O=C(Nc1ccccc1N1CCc2sccc2C1)[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(Nc1ccccc1N1CCc2sccc2C1)[C@@H]1CCCN(C1)[*:1]
O=C(Nc1ccccc1N1CCc2sccc2C1)[C@@H]1CCCN(c2ncccn2)C1 c1cc2CN(CCc2s1)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CCCN(C1)c1ncccn1
Cn1cc[nH+]c1NCCCC(=O)NC1CC1 C1CC1[*:1] Cn1cc[nH+]c1NCCCC(=O)N[*:1]
C[C@H](CC(=O)N(C)CCCS(C)(=O)=O)n1cccc1 CS(=O)(=O)CC[*:1] C[C@H](CC(=O)N(C)C[*:1])n1cccc1
C[C@H](CC(=O)N(C)CCCS(C)(=O)=O)n1cccc1 CS(=O)(=O)[*:1] C[C@H](CC(=O)N(C)CCC[*:1])n1cccc1
C[C@H](CC(=O)N(C)CCCS(C)(=O)=O)n1cccc1 CS(=O)(=O)C[*:1] C[C@H](CC(=O)N(C)CC[*:1])n1cccc1
C[C@H](CC(=O)N(C)CCCS(C)(=O)=O)n1cccc1 c1ccn(c1)[*:1] C[C@H](CC(=O)N(C)CCCS(C)(=O)=O)[*:1]
Cc1ccc(OCCCNC(=O)N[C@H]2CCCC[C@H]2O)cc1 Cc1ccc(cc1)[*:1] O=C(NCCCO[*:1])N[C@H]1CCCC[C@H]1O
COc1cccc(N2CCN(C(=O)[C@H]3C=C(c4ccc(C)cc4C)N=N3)CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(C2=C[C@@H](N=N2)C(=O)N2CCN(CC2)[*:1])c(C)c1
COc1cccc(N2CCN(C(=O)[C@H]3C=C(c4ccc(C)cc4C)N=N3)CC2)c1 Cc1ccc(c(C)c1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)[C@H]1C=C(N=N1)[*:1]
O=C(CC1CCCCC1)N1CCC(C(=O)N2CCc3nc(-c4ccccc4)oc3C2)CC1 C1CCC(CC1)C[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCc2nc(oc2C1)-c1ccccc1
O=C(CC1CCCCC1)N1CCC(C(=O)N2CCc3nc(-c4ccccc4)oc3C2)CC1 c1ccc(cc1)[*:1] O=C(CC1CCCCC1)N1CCC(CC1)C(=O)N1CCc2nc(oc2C1)[*:1]
O=C(CC1CCCCC1)N1CCC(C(=O)N2CCc3nc(-c4ccccc4)oc3C2)CC1 C1CCC(CC1)[*:1] O=C(C[*:1])N1CCC(CC1)C(=O)N1CCc2nc(oc2C1)-c1ccccc1
CC[C@H](C)[C@H](NC(=O)CCC1CCCC1)C(N)=O C1CCC(C1)[*:1] CC[C@H](C)[C@H](NC(=O)CC[*:1])C(N)=O
CC[C@H](C)[C@H](NC(=O)CCC1CCCC1)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@@H](NC(=O)CCC1CCCC1)[*:1]
CC[C@H](C)[C@H](NC(=O)CCC1CCCC1)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)CCC1CCCC1)[*:1]
CC[C@H](C)[C@H](NC(=O)CCC1CCCC1)C(N)=O C1CCC(C1)C[*:1] CC[C@H](C)[C@H](NC(=O)C[*:1])C(N)=O
C[C@H]1CN(C(=O)Cn2cc(NCc3cncs3)cn2)C[C@H](C)O1 c1ncc(CN[*:1])s1 C[C@H]1CN(C[C@H](C)O1)C(=O)Cn1cc(cn1)[*:1]
C[C@H]1CN(C(=O)Cn2cc(NCc3cncs3)cn2)C[C@H](C)O1 c1ncc(C[*:1])s1 C[C@H]1CN(C[C@H](C)O1)C(=O)Cn1cc(cn1)N[*:1]
C[C@H]1CN(C(=O)Cn2cc(NCc3cncs3)cn2)C[C@H](C)O1 c1ncc(s1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Cn1cc(cn1)NC[*:1]
O=C(Nc1ccc(F)cc1)c1ccc(=O)n(CC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)c1 O=C(Nc1ccc(F)cc1)[*:1] O=C(Cn1cc(ccc1=O)[*:1])N1CCCC[C@H]1C[NH+]1CCCC1
O=C(Nc1ccc(F)cc1)c1ccc(=O)n(CC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)c1 Fc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(=O)n(c1)CC(=O)N1CCCC[C@H]1C[NH+]1CCCC1
CCn1c(CCl)cnc1S(C)(=O)=O CS(=O)(=O)[*:1] CCn1c(cnc1[*:1])CCl
O=S(=O)(c1ccc(CSc2ccccn2)cc1)C(F)F O=S(=O)(C(F)F)[*:1] c1ccc(nc1)SCc1ccc(cc1)[*:1]
O=S(=O)(c1ccc(CSc2ccccn2)cc1)C(F)F c1ccc(nc1)[*:1] O=S(=O)(c1ccc(cc1)CS[*:1])C(F)F
O=S(=O)(c1ccc(CSc2ccccn2)cc1)C(F)F FC(F)[*:1] O=S(=O)(c1ccc(cc1)CSc1ccccn1)[*:1]
Cc1nc(N2CCC[C@H]2C(=O)N2CCC(Oc3cccc(Cl)c3)CC2)nc2ccccc12 Clc1cccc(c1)[*:1] Cc1nc(nc2ccccc12)N1CCC[C@H]1C(=O)N1CCC(CC1)O[*:1]
Cc1nc(N2CCC[C@H]2C(=O)N2CCC(Oc3cccc(Cl)c3)CC2)nc2ccccc12 Clc1cccc(c1)O[*:1] Cc1nc(nc2ccccc12)N1CCC[C@H]1C(=O)N1CCC(CC1)[*:1]
CCOc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(C=O)(c4ccccc43)[C@@H]2C1=O CCO[*:1] O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C(=O)[C@H]12)c1ccccc1[*:1]
CCOc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(C=O)(c4ccccc43)[C@@H]2C1=O CCOc1ccccc1[*:1] O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C(=O)[C@H]12)[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 CN(C)C(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(Br)ccc1Cl
CN(C)C(=O)Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 CN(C)C(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cc(Br)ccc1Cl
COC1CC[NH+](CCNC(=O)c2cnn(C(C)C)c2C)CC1 CC(C)[*:1] COC1CC[NH+](CCNC(=O)c2cnn(c2C)[*:1])CC1
O=C([O-])C[C@@H]1CN(CCSc2ccccc2F)CCO1 O=C([O-])[*:1] Fc1ccccc1SCCN1CCO[C@@H](C1)C[*:1]
O=C([O-])C[C@@H]1CN(CCSc2ccccc2F)CCO1 O=C([O-])C[*:1] Fc1ccccc1SCCN1CCO[C@@H](C1)[*:1]
CN(Cc1csc(-c2ccccc2)n1)C(=O)COC[C@@H]1CCCO1 c1ccc(cc1)[*:1] CN(Cc1csc(n1)[*:1])C(=O)COC[C@@H]1CCCO1
CC(C)N(C)c1ccc(NCc2nccn2Cc2ccccc2)cc1F CC(C)N(C)[*:1] Fc1cc(ccc1[*:1])NCc1nccn1Cc1ccccc1
CC(C)N(C)c1ccc(NCc2nccn2Cc2ccccc2)cc1F c1ccc(cc1)C[*:1] CC(C)N(C)c1ccc(cc1F)NCc1nccn1[*:1]
CC(C)N(C)c1ccc(NCc2nccn2Cc2ccccc2)cc1F CC(C)[*:1] CN(c1ccc(cc1F)NCc1nccn1Cc1ccccc1)[*:1]
CC(C)N(C)c1ccc(NCc2nccn2Cc2ccccc2)cc1F c1ccc(cc1)[*:1] CC(C)N(C)c1ccc(cc1F)NCc1nccn1C[*:1]
Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NCc1ccc2OCCOc2c1)[*:1]
COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(F)cc4)c(=O)n3n2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(/C=C/c2nc3sc(=C[*:1])c(=O)n3n2)cc1OC
CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CC[NH+](C(C)C)CC1 CC(C)[*:1] CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CC[NH+](CC1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CC[NH+](C(C)C)CC1 c1ccc(cc1)C[*:1] CC(C)N(C(=O)[C@@H](C)N1CC[NH+](CC1)C(C)C)[*:1]
CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CC[NH+](C(C)C)CC1 c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)[C@@H](C)N1CC[NH+](CC1)C(C)C
CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CC[NH+](C(C)C)CC1 CC(C)[*:1] CC(C)[NH+]1CCN(CC1)[C@H](C)C(=O)N(Cc1ccccc1)[*:1]
CC[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)CC(=O)N1CCNC(=O)[C@H]1CC(=O)N[*:1]
CCc1ncc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)s1 c1cnc(nc1)[*:1] CCc1ncc(s1)C(=O)NC[C@@H]1CCCN(C1)[*:1]
CCc1ncc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)s1 CCc1ncc(s1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+][C@@H](c1cccs1)C1CCCC1 C1CCC(C1)[*:1] CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+][C@@H](c1cccs1)[*:1]
CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+][C@@H](c1cccs1)C1CCCC1 c1csc(c1)[*:1] CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C1CCCC1)[*:1]
CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+][C@@H](c1cccs1)C1CCCC1 CS(=O)(=O)N[*:1] c1csc(c1)[C@H]([NH2+]C[C@H]1CCC[C@H]1[*:1])C1CCCC1
Cc1cnn(CCNC(=O)[C@@H]2CCC(=O)N(C3CC3)C2)c1 Cc1cnn(c1)[*:1] O=C(NCC[*:1])[C@@H]1CCC(=O)N(C1)C1CC1
Cc1cnn(CCNC(=O)[C@@H]2CCC(=O)N(C3CC3)C2)c1 C1CC1[*:1] Cc1cnn(c1)CCNC(=O)[C@@H]1CCC(=O)N(C1)[*:1]
Cc1cnn(CCNC(=O)[C@@H]2CCC(=O)N(C3CC3)C2)c1 Cc1cnn(c1)C[*:1] O=C(NC[*:1])[C@@H]1CCC(=O)N(C1)C1CC1
CCc1ccc(-c2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3C)o2)cc1 CCc1ccc(cc1)[*:1] C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(o1)[*:1]
Cc1cc(-c2nnc(S)n2/N=C\c2c(F)cccc2Cl)n[nH]1 Cc1cc(n[nH]1)[*:1] Fc1cccc(Cl)c1/C=N\n1c(S)nnc1[*:1]
O=C([C@@H]1CCC(=O)N(C2CCCCCC2)C1)N1Cc2ccccc2C1 C1CCCC(CC1)[*:1] O=C([C@@H]1CCC(=O)N(C1)[*:1])N1Cc2ccccc2C1
C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] C[C@@H]1CCC[C@@H](C1)[NH2+]Cc1ccccc1OC[*:1]
C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)CO[*:1] C[C@@H]1CCC[C@@H](C1)[NH2+]Cc1ccccc1[*:1]
C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)C[*:1] C[C@@H]1CCC[C@@H](C1)[NH2+]Cc1ccccc1O[*:1]
O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)NCCC[NH+]1CCCC1 Fc1cccc(c1)[*:1] O=C(CN1C(=O)C(=C[*:1])Oc2ccccc21)NCCC[NH+]1CCCC1
C/C(=N/NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc(OC(F)F)cc1 FC(F)[*:1] C/C(=N/NC(=O)Cc1csc(n1)N1CCOCC1)c1ccc(cc1)O[*:1]
C/C(=N/NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc(OC(F)F)cc1 C1CN(CCO1)[*:1] C/C(=N/NC(=O)Cc1csc(n1)[*:1])c1ccc(cc1)OC(F)F
C/C(=N/NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C/C(=N/NC(=O)Cc1csc(n1)N1CCOCC1)c1ccc(cc1)[*:1]
COC(=O)C1CCN(C(=O)CSCc2ccccc2Cl)CC1 Clc1ccccc1[*:1] COC(=O)C1CCN(CC1)C(=O)CSC[*:1]
COC(=O)C1CCN(C(=O)CSCc2ccccc2Cl)CC1 COC(=O)[*:1] O=C(CSCc1ccccc1Cl)N1CCC(CC1)[*:1]
CCCNc1nc([C@@H]2CSCCS2)nc2sc(C)cc12 CCC[*:1] Cc1cc2c(nc(nc2s1)[C@@H]1CSCCS1)N[*:1]
CCCNc1nc([C@@H]2CSCCS2)nc2sc(C)cc12 CCCN[*:1] Cc1cc2c(nc(nc2s1)[C@@H]1CSCCS1)[*:1]
C[C@@H](Cc1nnc(S[C@@H](C)c2ccccc2)o1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1nnc(o1)S[C@@H](C)[*:1])c1ccccc1
C[C@@H](Cc1nnc(S[C@@H](C)c2ccccc2)o1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(C[C@H](C)[*:1])o1)c1ccccc1
[NH3+][C@@H](CCO)CS(=O)(=O)c1cccc(F)c1 OCC[*:1] [NH3+][C@@H](CS(=O)(=O)c1cccc(F)c1)[*:1]
COc1ccc2cc(C(=O)N[C@@H](C)c3c(C)nn(C)c3C)[nH]c2c1 Cc1nn(C)c(C)c1[*:1] COc1ccc2cc([nH]c2c1)C(=O)N[C@@H](C)[*:1]
Cc1ccc(-c2csc(C(=O)c3ccccc3)n2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)-c1csc(n1)C(=O)[*:1]
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] N#C/C(=C/c1ccc(o1)-c1ccccc1)C(=O)N[*:1]
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] N#C/C(=C/c1ccc(o1)[*:1])C(=O)Nc1cccc(Cl)c1
CCOC(=O)[C@@H](CC)Sc1cc2ccccc2[nH]1 CCOC(=O)[*:1] CC[C@@H](Sc1cc2ccccc2[nH]1)[*:1]
CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cccc(CO)c2)CC1 CC(C)(C)OC(=O)[*:1] OCc1cccc(c1)C[NH2+]C1CCC(CC1)[*:1]
CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cccc(CO)c2)CC1 CC(C)(C)[*:1] O=C(O[*:1])C1CCC(CC1)[NH2+]Cc1cccc(c1)CO
O=C1[C@H](NS(=O)(=O)c2cccc(F)c2)CCN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H](CCN1C[*:1])NS(=O)(=O)c1cccc(F)c1
O=C1[C@H](NS(=O)(=O)c2cccc(F)c2)CCN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@@H](CCN1[*:1])NS(=O)(=O)c1cccc(F)c1
O=C1[C@H](NS(=O)(=O)c2cccc(F)c2)CCN1Cc1ccccc1 Fc1cccc(c1)[*:1] O=C1[C@@H](CCN1Cc1ccccc1)NS(=O)(=O)[*:1]
Cn1cccc1C[NH2+]Cc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cn1cccc1C[NH2+]Cc1ccc(cc1)[*:1]
Cn1cccc1C[NH2+]Cc1ccc(C(=O)[O-])cc1 Cn1cccc1[*:1] O=C([O-])c1ccc(cc1)C[NH2+]C[*:1]
Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@H]2CCO[C@H]2C)cc1 Cc1oncc1[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1c(OS(=O)(=O)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])OS(=O)(=O)c1ccc(C#N)cc1
O=C([O-])c1ccc(S(=O)(=O)[O-])cc1N1C(=O)/C(=C\C=C\c2ccccc2)N=C1c1ccccc1 O=S(=O)([O-])[*:1] O=C([O-])c1ccc(cc1N1C(=O)/C(=C\C=C\c2ccccc2)N=C1c1ccccc1)[*:1]
O=C([O-])c1ccc(S(=O)(=O)[O-])cc1N1C(=O)/C(=C\C=C\c2ccccc2)N=C1c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1N1C(=O)/C(=C\C=C[*:1])N=C1c1ccccc1)S(=O)(=O)[O-]
O=C([O-])c1ccc(S(=O)(=O)[O-])cc1N1C(=O)/C(=C\C=C\c2ccccc2)N=C1c1ccccc1 C(=C[*:1])c1ccccc1 O=C([O-])c1ccc(cc1N1C(=O)C(=C[*:1])N=C1c1ccccc1)S(=O)(=O)[O-]
O=C([O-])c1ccc(S(=O)(=O)[O-])cc1N1C(=O)/C(=C\C=C\c2ccccc2)N=C1c1ccccc1 O=C([O-])[*:1] O=C1/C(=C\C=C\c2ccccc2)N=C(c2ccccc2)N1c1cc(ccc1[*:1])S(=O)(=O)[O-]
O=C([O-])c1ccc(S(=O)(=O)[O-])cc1N1C(=O)/C(=C\C=C\c2ccccc2)N=C1c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1N1C(=O)/C(=C\C=C\c2ccccc2)N=C1[*:1])S(=O)(=O)[O-]
Cc1noc(C)c1CC(=O)NNC(=O)c1cc2ccccc2cc1O Cc1noc(C)c1[*:1] O=C(C[*:1])NNC(=O)c1cc2ccccc2cc1O
Cc1noc(C)c1CC(=O)NNC(=O)c1cc2ccccc2cc1O Cc1noc(C)c1C[*:1] O=C(NNC(=O)[*:1])c1cc2ccccc2cc1O
CC[C@H](NC(=O)Cc1ccon1)c1nc(C(F)(F)F)cs1 c1cc(C[*:1])no1 CC[C@H](NC(=O)[*:1])c1nc(cs1)C(F)(F)F
CC[C@H](NC(=O)Cc1ccon1)c1nc(C(F)(F)F)cs1 c1cc(no1)[*:1] CC[C@H](NC(=O)C[*:1])c1nc(cs1)C(F)(F)F
CC[C@H](NC(=O)Cc1ccon1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@H](NC(=O)Cc1ccon1)c1nc(cs1)[*:1]
Cc1ccc(-n2nnnc2SCCC(=O)N2CCC[C@@H]2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H]1CCCN1C(=O)CCSc1nnnn1[*:1]
Cc1ccc(-n2nnnc2SCCC(=O)N2CCC[C@@H]2C)c(C)c1 C[C@H]1CCCN1C(=O)[*:1] Cc1ccc(c(C)c1)-n1nnnc1SCC[*:1]
COc1ccccc1-c1ccc([C@H](C)NC[C@@H]2CN(C3CC3)CCO2)cc1 C1CC1[*:1] COc1ccccc1-c1ccc(cc1)[C@H](C)NC[C@@H]1CN(CCO1)[*:1]
COc1ccccc1-c1ccc([C@H](C)NC[C@@H]2CN(C3CC3)CCO2)cc1 COc1ccccc1[*:1] C[C@H](NC[C@@H]1CN(CCO1)C1CC1)c1ccc(cc1)[*:1]
O=C(Nc1cc(-c2ccco2)ccc1F)c1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] O=C(Nc1cc(ccc1F)-c1ccco1)c1ccc(cc1)C[*:1]
O=C(Nc1cc(-c2ccco2)ccc1F)c1ccc(Cn2cccn2)cc1 c1coc(c1)[*:1] O=C(Nc1cc(ccc1F)[*:1])c1ccc(cc1)Cn1cccn1
O=C(Nc1cc(-c2ccco2)ccc1F)c1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] O=C(Nc1cc(ccc1F)-c1ccco1)c1ccc(cc1)[*:1]
Cc1cc(C(=O)N2CCOc3ccccc32)on1 Cc1cc(on1)[*:1] O=C(N1CCOc2ccccc21)[*:1]
Cc1ccc(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)c(O)c1C Cc1nn(C)c(C)c1[*:1] Cc1ccc(C(=O)OCC(=O)N[*:1])c(O)c1C
O=C(COc1ccc(Br)cc1Br)Oc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(COc1ccc(Br)cc1Br)Oc1ccccc1[*:1]
O=C(NC[C@H]1CCCO1)c1nc(Cn2cnc3ccccc3c2=O)no1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])c1nc(Cn2cnc3ccccc3c2=O)no1
O=C([O-])CC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 O=C([O-])C[*:1] O=C(c1ccc2[nH]ccc2c1)N1CCC(CC1)[*:1]
O=C([O-])CC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 O=C([O-])[*:1] O=C(c1ccc2[nH]ccc2c1)N1CCC(CC1)C[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)Cn1cc(nc1C)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)Cn2cc(nc2C)[N+](=O)[O-])n(n1)[*:1]
Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(C)c(c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCC(C(=O)N(C)C)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCC(CC1)C(=O)N(C)C
Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCC(C(=O)N(C)C)CC2)c1 CN(C)C(=O)[*:1] Cc1cccc(c1)C(=O)N[C@H](C)C(=O)N1CCC(CC1)[*:1]
Cc1cc(C)n(CCCNC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 Cc1cc(C)n(n1)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NCCC[*:1]
Cc1cc(C)n(CCCNC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 Cc1cc(C)n(CC[*:1])n1 C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NC[*:1]
Cc1cc(C)n(CCCNC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 Cc1cc(C)n(C[*:1])n1 C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NCC[*:1]
COc1ccc(NC(=O)C[C@H](c2ccccc2)n2cccc2)c(OC)c1 c1ccn(c1)[*:1] COc1ccc(NC(=O)C[C@H](c2ccccc2)[*:1])c(c1)OC
COc1ccc(NC(=O)C[C@H](c2ccccc2)n2cccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)C[C@H](n2cccc2)[*:1])c(c1)OC
CCn1c(=O)n(CC)c2cc(C(=O)[O-])ccc21 O=C([O-])[*:1] CCn1c(=O)n(CC)c2cc(ccc21)[*:1]
Cn1ccs/c1=N\C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 O=[N+]([O-])[*:1] Cn1ccs/c1=N\C(=O)c1cc2cc(ccc2s1)[*:1]
COCCNC(=O)c1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] COCCNC(=O)c1cnn(n1)[*:1]
COCCNC(=O)c1cnn(-c2ccccc2)n1 COC[*:1] O=C(NC[*:1])c1cnn(n1)-c1ccccc1
COCCNC(=O)c1cnn(-c2ccccc2)n1 COCC[*:1] O=C(N[*:1])c1cnn(n1)-c1ccccc1
Cc1sc(C(N)=O)cc1NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1sc(cc1NC(=O)[C@H]1CCCCN1C(=O)O[*:1])C(N)=O
Cc1sc(C(N)=O)cc1NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C NC(=O)[*:1] Cc1sc(cc1NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)[*:1]
CCc1nnc(NC(=O)C2CCN(Cc3nc4ccc(C)cc4[nH]3)CC2)s1 CCc1nnc(s1)[*:1] Cc1ccc2nc(CN3CCC(CC3)C(=O)N[*:1])[nH]c2c1
C=CCOc1ccc(CN(C)C(=O)c2nc[nH]n2)cc1 C=CCO[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1nc[nH]n1
C=CCOc1ccc(CN(C)C(=O)c2nc[nH]n2)cc1 C=CC[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)c1nc[nH]n1
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cn(C2C[NH2+]C2)nn1 NC(=O)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O FC(F)(F)[*:1] CN(C)c1ccc(cc1NC(=O)CN1C(=O)N[C@](C)(C1=O)c1ccccc1)[*:1]
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(C)c1ccc(cc1NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1])C(F)(F)F
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O CN(C)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2cc(ccc2[*:1])C(F)(F)F)C1=O)c1ccccc1
C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)[*:1]
C[C@H](NC(=O)NNC(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)NNC(=O)[*:1])c1ccc(F)c(F)c1
CC(C)Oc1ccccc1C(=O)N1CCn2c(nnc2-c2ccccc2)C1 CC(C)[*:1] O=C(c1ccccc1O[*:1])N1CCn2c(C1)nnc2-c1ccccc1
CC(C)Oc1ccccc1C(=O)N1CCn2c(nnc2-c2ccccc2)C1 CC(C)O[*:1] O=C(c1ccccc1[*:1])N1CCn2c(C1)nnc2-c1ccccc1
CC(C)Oc1ccccc1C(=O)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)Oc1ccccc1C(=O)N1CCn2c(C1)nnc2[*:1]
O=C(CNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)NC1CC1 O=C(NC1CC1)[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F
O=C(CNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)NC1CC1 C1CC1[*:1] O=C(CNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)N[*:1]
O=C(CNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)NC1CC1 O=C(C[*:1])NC1CC1 O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)N[*:1]
O=C(CNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)NC1CC1 FC(F)(F)[*:1] O=C(CNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1[*:1])NC1CC1
C[C@H](O)[C@@H](C)SCc1csc(-c2ccc3c(c2)OCO3)n1 C[C@H](O)[*:1] C[C@@H](SCc1csc(n1)-c1ccc2OCOc2c1)[*:1]
COc1ccc2c(c1)=[NH+][C@H](CCNC(=O)Nc1nnc(C)s1)[NH+]=2 Cc1nnc(s1)[*:1] COc1ccc2=[NH+][C@@H](CCNC(=O)N[*:1])[NH+]=c2c1
CCN1C[C@@H](C(=O)N2CC(Oc3ccccc3F)C2)CC1=O Fc1ccccc1[*:1] CCN1C[C@H](CC1=O)C(=O)N1CC(C1)O[*:1]
C[C@@H](Oc1cncc(C(=O)[O-])n1)C(F)(F)F FC(F)(F)[*:1] C[C@@H](Oc1cncc(n1)C(=O)[O-])[*:1]
C[C@@H](Oc1cncc(C(=O)[O-])n1)C(F)(F)F O=C([O-])[*:1] C[C@@H](Oc1cncc(n1)[*:1])C(F)(F)F
O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(cc1)CN(C1CC1)S(=O)(=O)c1ccc2CCCCc2c1
O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 C1CC1[*:1] O=C(NC1CC1)c1ccc(cc1)CN(S(=O)(=O)c1ccc2CCCCc2c1)[*:1]
O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 O=C(NC1CC1)[*:1] O=S(=O)(c1ccc2CCCCc2c1)N(Cc1ccc(cc1)[*:1])C1CC1
O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 c1cc2CCCCc2cc1[*:1] O=C(NC1CC1)c1ccc(cc1)CN(C1CC1)S(=O)(=O)[*:1]
CCn1nnnc1-c1cccc(NC(=O)C(C)(C)F)c1 CC(C)(F)[*:1] CCn1nnnc1-c1cccc(c1)NC(=O)[*:1]
CCOc1ccccc1NC(=O)N[C@@H]1C[C@@H]1C CCO[*:1] C[C@H]1C[C@H]1NC(=O)Nc1ccccc1[*:1]
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(N/N=C/c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 O=[N+]([O-])[*:1] O=C(N/N=C/c1cccc(c1)[*:1])C(=O)Nc1cccc(Br)c1
Cc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)s1 Fc1ccccc1[*:1] Cc1ccc(s1)-c1csc(n1)NC(=O)[*:1]
Cc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)s1 Cc1ccc(s1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1F
NC(=O)c1ccc(NC(=O)NCCc2ccccn2)cc1 c1ccc(nc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)NCC[*:1]
NC(=O)c1ccc(NC(=O)NCCc2ccccn2)cc1 NC(=O)[*:1] O=C(NCCc1ccccn1)Nc1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)NCCc2ccccn2)cc1 c1ccc(C[*:1])nc1 NC(=O)c1ccc(cc1)NC(=O)NC[*:1]
CCS(=O)(=O)N(C)C1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)CC1 FC(F)(F)[*:1] CCS(=O)(=O)N(C)C1CCN(CC1)C(=O)c1cnn(-c2cccc(c2)[*:1])c1C
CCS(=O)(=O)N(C)C1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)CC1 FC(F)(F)c1cccc(c1)[*:1] CCS(=O)(=O)N(C)C1CCN(CC1)C(=O)c1cnn(c1C)[*:1]
CCS(=O)(=O)N(C)C1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)CC1 CCS(=O)(=O)N(C)[*:1] Cc1c(cnn1-c1cccc(c1)C(F)(F)F)C(=O)N1CCC(CC1)[*:1]
CCCCS(=O)(=O)[C@H]1CCCC(C)(C)[C@@H]1[NH2+]CCC CCC[*:1] CCC[NH2+][C@@H]1[C@H](CCCC1(C)C)S(=O)(=O)C[*:1]
CCCCS(=O)(=O)[C@H]1CCCC(C)(C)[C@@H]1[NH2+]CCC CCC[*:1] CCCCS(=O)(=O)[C@H]1CCCC(C)(C)[C@@H]1[NH2+][*:1]
CCCCS(=O)(=O)[C@H]1CCCC(C)(C)[C@@H]1[NH2+]CCC CCCC[*:1] CCC[NH2+][C@@H]1[C@H](CCCC1(C)C)S(=O)(=O)[*:1]
CCCCc1nnc(SCc2ccc(-n3cccn3)cc2)n1N c1cnn(c1)[*:1] CCCCc1nnc(SCc2ccc(cc2)[*:1])n1N
CCCCc1nnc(SCc2ccc(-n3cccn3)cc2)n1N CCCC[*:1] Nn1c(nnc1[*:1])SCc1ccc(cc1)-n1cccn1
CCCCc1nnc(SCc2ccc(-n3cccn3)cc2)n1N CCC[*:1] Nn1c(C[*:1])nnc1SCc1ccc(cc1)-n1cccn1
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C)c(C)c1 CC(C)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)c1ccc(C)c(C)c1
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C)c(C)c1 COC(=O)[*:1] Cc1ccc(cc1C)C(=O)N[C@H](CC(C)C)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C)c(C)c1 CC(C)C[*:1] COC(=O)[C@@H](NC(=O)c1ccc(C)c(C)c1)[*:1]
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(F)cc3)cc2)c1 Cc1cccc(c1)[*:1] O=C(NNC(=S)NC(=O)c1ccc(F)cc1)c1ccc(cc1)NC(=O)[*:1]
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(F)cc3)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NNC(=S)NC(=O)[*:1]
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(F)cc3)cc2)c1 Cc1cccc(c1)C(=O)N[*:1] O=C(NNC(=S)NC(=O)c1ccc(F)cc1)c1ccc(cc1)[*:1]
CC(=O)NCCNC(=O)C(=O)Nc1ccc(I)cc1C CC(=O)NCC[*:1] Cc1cc(I)ccc1NC(=O)C(=O)N[*:1]
CC(=O)NCCNC(=O)C(=O)Nc1ccc(I)cc1C CC(=O)N[*:1] Cc1cc(I)ccc1NC(=O)C(=O)NCC[*:1]
CC(=O)NCCNC(=O)C(=O)Nc1ccc(I)cc1C CC(=O)NC[*:1] Cc1cc(I)ccc1NC(=O)C(=O)NC[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCC(=O)Nc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NCC(=O)N[*:1]
Cc1ccc(OCCNC(=O)c2cnn3c(C)cc(C)nc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cc(C)n2ncc(C(=O)NCCO[*:1])c2n1
O=C(NC1CCCC1)C1=NN=C2c3ccccc3OC[C@H]12 C1CCC(C1)[*:1] O=C(N[*:1])C1=NN=C2c3ccccc3OC[C@H]12
CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccn1 CC(C)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](c1ccccn1)[*:1]
CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)[*:1]
CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccn1 Clc1ccccc1[*:1] CC(C)[C@H](NC(=O)[C@@H](C)O[*:1])c1ccccn1
COC(=O)c1ccnc(N2CCOCC2)c1 COC(=O)[*:1] c1cc(cc(n1)N1CCOCC1)[*:1]
CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCc2ccc(OC)cc21 CC[C@@H](C)[*:1] COc1ccc2CC[C@H]([NH2+]CCC(=O)N[*:1])c2c1
CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCc2ccc(OC)cc21 CC[C@@H](C)NC(=O)[*:1] COc1ccc2CC[C@H]([NH2+]CC[*:1])c2c1
CC(C)c1ccccc1-n1ccnc1SCc1nnsc1Cl CC(C)[*:1] Clc1snnc1CSc1nccn1-c1ccccc1[*:1]
CC(C)c1ccccc1-n1ccnc1SCc1nnsc1Cl Clc1snnc1[*:1] CC(C)c1ccccc1-n1ccnc1SC[*:1]
CC(C)c1ccccc1-n1ccnc1SCc1nnsc1Cl Clc1snnc1C[*:1] CC(C)c1ccccc1-n1ccnc1S[*:1]
OCCC[NH+]1CCSC2(CCCCC2)C1 OCC[*:1] C1CCC2(CC1)C[NH+](CCS2)C[*:1]
OCCC[NH+]1CCSC2(CCCCC2)C1 OCCC[*:1] C1CCC2(CC1)C[NH+](CCS2)[*:1]
N#Cc1ccc(Cn2cnc(NC(=O)N[C@H]3CCCC[C@@H]3CO)n2)cc1 N#Cc1ccc(cc1)[*:1] O=C(Nc1ncn(C[*:1])n1)N[C@H]1CCCC[C@@H]1CO
CNC(=O)CC1CCN(C(=O)NCCOc2ccc(C)cc2)CC1 CNC(=O)C[*:1] Cc1ccc(cc1)OCCNC(=O)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)NCCOc2ccc(C)cc2)CC1 Cc1ccc(cc1)O[*:1] CNC(=O)CC1CCN(CC1)C(=O)NCC[*:1]
CNC(=O)CC1CCN(C(=O)NCCOc2ccc(C)cc2)CC1 CNC(=O)[*:1] Cc1ccc(cc1)OCCNC(=O)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)NCCOc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)NCCO[*:1]
C[C@@H](NC(=O)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)NCC1CCN(CC1)C(=O)c1ccncc1)[*:1]
C[C@@H](NC(=O)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccncc1)C(=O)N[*:1]
C[C@@H](NC(=O)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1)c1ccccc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)C(=O)NCC1CCN(CC1)C(=O)[*:1])c1ccccc1
CCc1c(C)sc(NC(=O)[C@H]2CCCO2)c1C(=O)Nc1ccccc1OC COc1ccccc1[*:1] CCc1c(C)sc(NC(=O)[C@H]2CCCO2)c1C(=O)N[*:1]
CCOc1ccc(-c2nc(NC(=O)COc3ccccc3)sc2C)cc1 CCO[*:1] Cc1sc(nc1-c1ccc(cc1)[*:1])NC(=O)COc1ccccc1
CCOc1ccc(-c2nc(NC(=O)COc3ccccc3)sc2C)cc1 c1ccc(cc1)OC[*:1] CCOc1ccc(cc1)-c1nc(NC(=O)[*:1])sc1C
CCOc1ccc(-c2nc(NC(=O)COc3ccccc3)sc2C)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1nc(NC(=O)CO[*:1])sc1C
CCOc1ccc(-c2nc(NC(=O)COc3ccccc3)sc2C)cc1 c1ccc(cc1)O[*:1] CCOc1ccc(cc1)-c1nc(NC(=O)C[*:1])sc1C
CCc1cccc(CC)c1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CCc1cccc(CC)c1NC(=O)C[C@@](C)(C(=O)[O-])[*:1]
CCc1cccc(CC)c1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CCc1cccc(CC)c1NC(=O)C[C@@](C)(c1ccccc1)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C3)cc1C c1ccn(c1)[*:1] Cc1ccc(cc1C)-n1nc2CN(Cc2c1[*:1])C(=O)c1cc(Cl)ccc1[N+](=O)[O-]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C3)cc1C Cc1ccc(cc1C)[*:1] O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C3)cc1C O=[N+]([O-])c1ccc(Cl)cc1[*:1] Cc1ccc(cc1C)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C3)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)-n1nc2CN(Cc2c1-n1cccc1)C(=O)c1cc(Cl)ccc1[*:1]
COC(OC)[C@]1(C)Nc2ccccc2C(=O)N1c1ccccc1C(C)C CC(C)[*:1] COC(OC)[C@]1(C)Nc2ccccc2C(=O)N1c1ccccc1[*:1]
Cc1nc2ccccc2c(=O)n1-c1nccs1 c1csc(n1)[*:1] Cc1nc2ccccc2c(=O)n1[*:1]
CCn1nnnc1SCC(=O)/C(C#N)=C1\Sc2ccccc2N1C CCn1nnnc1[*:1] CN1/C(Sc2ccccc21)=C(\C#N)C(=O)CS[*:1]
CCn1nnnc1SCC(=O)/C(C#N)=C1\Sc2ccccc2N1C CCn1nnnc1S[*:1] CN1/C(Sc2ccccc21)=C(\C#N)C(=O)C[*:1]
CCC(=O)Nc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 CCC(=O)N[*:1] Cc1sc2ncnc(SCC(=O)Nc3ccc(cc3)[*:1])c2c1C
CCCCCC[C@@H](C)Nc1nc2ccc(C)cn2n1 CCC[*:1] Cc1ccc2nc(nn2c1)N[C@H](C)CCC[*:1]
CCCCCC[C@@H](C)Nc1nc2ccc(C)cn2n1 CCCCCC[*:1] Cc1ccc2nc(nn2c1)N[C@H](C)[*:1]
CCCCCC[C@@H](C)Nc1nc2ccc(C)cn2n1 CCCCC[*:1] Cc1ccc2nc(nn2c1)N[C@H](C)C[*:1]
CCCCCC[C@@H](C)Nc1nc2ccc(C)cn2n1 CCCC[*:1] Cc1ccc2nc(nn2c1)N[C@H](C)CC[*:1]
COc1ccc(C)cc1NC(=O)C(=O)NCCCN1CCOCC1 C1CN(CCO1)[*:1] COc1ccc(C)cc1NC(=O)C(=O)NCCC[*:1]
COc1ccc(C)cc1NC(=O)C(=O)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] COc1ccc(C)cc1NC(=O)C(=O)NCC[*:1]
COc1ccc(C)cc1NC(=O)C(=O)NCCCN1CCOCC1 C1CN(CCO1)CC[*:1] COc1ccc(C)cc1NC(=O)C(=O)NC[*:1]
Fc1cccnc1N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 C1CC1[*:1] Fc1cccnc1N1CCC(CC1)c1nnc(Cn2cccn2)n1[*:1]
Fc1cccnc1N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 c1cnn(c1)[*:1] Fc1cccnc1N1CCC(CC1)c1nnc(C[*:1])n1C1CC1
Fc1cccnc1N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 c1cnn(c1)C[*:1] Fc1cccnc1N1CCC(CC1)c1nnc(n1C1CC1)[*:1]
Fc1cccnc1N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 Fc1cccnc1[*:1] c1cnn(c1)Cc1nnc(C2CCN(CC2)[*:1])n1C1CC1
C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 c1nnnn1[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])C(=O)Nc1nc(cs1)-c1ccccc1
C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C[C@H](OC(=O)c1ccc(cc1)-n1cnnn1)C(=O)Nc1nc(cs1)[*:1]
CC(C)N[C@]1(C#N)CCC[C@H]1CCN1C[C@H](C)OC[C@H]1C CC(C)[*:1] C[C@H]1CN(CC[C@@H]2CCC[C@@]2(C#N)N[*:1])[C@H](C)CO1
CC(C)N[C@]1(C#N)CCC[C@H]1CCN1C[C@H](C)OC[C@H]1C CC(C)N[*:1] C[C@H]1CN(CC[C@@H]2CCC[C@]2(C#N)[*:1])[C@H](C)CO1
COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 COc1ccc(C)cc1[*:1] COc1cc(cc(OC)c1OC)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cn1nc(CC(=O)NCC2CCOCC2)c2ccccc2c1=O C1CC(CCO1)[*:1] Cn1nc(CC(=O)NC[*:1])c2ccccc2c1=O
Cn1nc(CC(=O)NCC2CCOCC2)c2ccccc2c1=O C1CC(CCO1)C[*:1] Cn1nc(CC(=O)N[*:1])c2ccccc2c1=O
Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)NCc2ccc(F)cc2F)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc(=O)n(CC(=O)NCc2ccc(F)cc2F)c(n1)N[*:1]
Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)NCc2ccc(F)cc2F)c1 Cc1cc(C)cc(c1)N[*:1] Cc1cc(=O)n(CC(=O)NCc2ccc(F)cc2F)c(n1)[*:1]
Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)NCc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] Cc1cc(C)cc(c1)Nc1nc(C)cc(=O)n1CC(=O)NC[*:1]
Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)NCc2ccc(F)cc2F)c1 Fc1ccc(C[*:1])c(F)c1 Cc1cc(C)cc(c1)Nc1nc(C)cc(=O)n1CC(=O)N[*:1]
CCCCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 CCCCNC(=O)[*:1] c1ccc(cc1)C[NH+]1CCN(CC1)C[*:1]
CCCCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCCCNC(=O)CN1CC[NH+](CC1)[*:1]
CCCCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 CCCC[*:1] O=C(CN1CC[NH+](CC1)Cc1ccccc1)N[*:1]
CCCCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 CCC[*:1] O=C(CN1CC[NH+](CC1)Cc1ccccc1)NC[*:1]
CCCCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCCCNC(=O)CN1CC[NH+](CC1)C[*:1]
COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] COc1cc(Cl)c(C)cc1NS(=O)(=O)[*:1]
CCOC(=O)[C@@H]1CCCN(c2ncnc(Nc3nc(C)c(C)s3)c2[N+](=O)[O-])C1 Cc1nc(sc1C)[*:1] CCOC(=O)[C@@H]1CCCN(C1)c1ncnc(N[*:1])c1[N+](=O)[O-]
CCOC(=O)[C@@H]1CCCN(c2ncnc(Nc3nc(C)c(C)s3)c2[N+](=O)[O-])C1 CCOC(=O)[*:1] Cc1nc(Nc2ncnc(c2[N+](=O)[O-])N2CCC[C@H](C2)[*:1])sc1C
CCOC(=O)[C@@H]1CCCN(c2ncnc(Nc3nc(C)c(C)s3)c2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CCOC(=O)[C@@H]1CCCN(C1)c1ncnc(Nc2nc(C)c(C)s2)c1[*:1]
CCOC(=O)[C@@H]1CCCN(c2ncnc(Nc3nc(C)c(C)s3)c2[N+](=O)[O-])C1 Cc1nc(N[*:1])sc1C CCOC(=O)[C@@H]1CCCN(C1)c1ncnc(c1[N+](=O)[O-])[*:1]
C[C@H](OCCCNC(=O)c1cc(Br)ccc1F)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](OCCCNC(=O)c1cc(Br)ccc1F)[*:1]
CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C1 Cn1cnn(c1=O)[*:1] CS[C@@H]1CCC[C@H](C1)NC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccccc1N1CCN(C(=O)N[C@H](C)CSC)CC1 CSC[*:1] CCOc1ccccc1N1CCN(CC1)C(=O)N[C@H](C)[*:1]
CCOc1ccccc1N1CCN(C(=O)N[C@H](C)CSC)CC1 CCO[*:1] CSC[C@@H](C)NC(=O)N1CCN(CC1)c1ccccc1[*:1]
C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCn2c(nn(C)c2=O)C1 FC(F)(F)[*:1] C[C@@H](C(=O)NC(=O)NC[*:1])N1CCn2c(C1)nn(C)c2=O
C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCn2c(nn(C)c2=O)C1 FC(F)(F)C[*:1] C[C@@H](C(=O)NC(=O)N[*:1])N1CCn2c(C1)nn(C)c2=O
Cc1ccc([C@H]2COCCN2C(=O)Cc2cccc(OCC#N)c2)o1 Cc1ccc(o1)[*:1] N#CCOc1cccc(c1)CC(=O)N1CCOC[C@@H]1[*:1]
Cc1ccc([C@H]2COCCN2C(=O)Cc2cccc(OCC#N)c2)o1 N#CC[*:1] Cc1ccc(o1)[C@H]1COCCN1C(=O)Cc1cccc(c1)O[*:1]
Cc1ccc([C@H]2COCCN2C(=O)Cc2cccc(OCC#N)c2)o1 N#CCO[*:1] Cc1ccc(o1)[C@H]1COCCN1C(=O)Cc1cccc(c1)[*:1]
Cc1nc(NC(=O)N[C@H]2CCOC2)ccc1Br C1C[C@@H](CO1)[*:1] Cc1nc(ccc1Br)NC(=O)N[*:1]
CC(C)c1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1 O=C1CC[C@@H](N1)[*:1] CC(C)c1ccc(cc1)NC(=O)[*:1]
CC(C)c1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1 CC(C)[*:1] O=C1CC[C@@H](N1)C(=O)Nc1ccc(cc1)[*:1]
C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2C)cc1 O=C(c1ccco1)[*:1] C=CCOc1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1C)[*:1]
C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2C)cc1 C=CC[*:1] CN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1ccc(cc1)O[*:1]
C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2C)cc1 c1coc(c1)[*:1] C=CCOc1ccc(cc1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C
C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2C)cc1 C=CCO[*:1] CN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1ccc(cc1)[*:1]
Cn1cnc(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)n1 Cn1cnc(n1)[*:1] Clc1ccccc1-c1ccc(C[NH2+]C[*:1])o1
Cn1cnc(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)n1 Clc1ccccc1[*:1] Cn1cnc(C[NH2+]Cc2ccc(o2)[*:1])n1
O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)c1ccccc1 Fc1ccccc1C[*:1] O=C(CSc1ncnc2c1nnn2[*:1])c1ccccc1
O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)c1ccccc1 O=C(c1ccccc1)[*:1] Fc1ccccc1Cn1nnc2c(ncnc21)SC[*:1]
O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)c1ccccc1 O=C(C[*:1])c1ccccc1 Fc1ccccc1Cn1nnc2c(ncnc21)S[*:1]
O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)[*:1]
O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)c1ccccc1 Fc1ccccc1[*:1] O=C(CSc1ncnc2c1nnn2C[*:1])c1ccccc1
Cc1ccc(C(=O)NCCNC(=O)Cc2cc(C)on2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(CC(=O)NCCNC(=O)[*:1])no1
Cc1ccc(C(=O)NCCNC(=O)Cc2cc(C)on2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)C(=O)NCCNC(=O)C[*:1]
Cc1ccc(C(=O)NCCNC(=O)Cc2cc(C)on2)cc1 Cc1cc(C[*:1])no1 Cc1ccc(cc1)C(=O)NCCNC(=O)[*:1]
FC(F)(F)c1cc(Br)ccc1N1CCOCC1 FC(F)(F)[*:1] Brc1ccc(c(c1)[*:1])N1CCOCC1
Cc1ccsc1CN(Cc1nnc(-c2ccc(C)n2C)o1)C1CC1 C1CC1[*:1] Cc1ccsc1CN(Cc1nnc(o1)-c1ccc(C)n1C)[*:1]
Cc1ccsc1CN(Cc1nnc(-c2ccc(C)n2C)o1)C1CC1 Cc1ccc(n1C)[*:1] Cc1ccsc1CN(Cc1nnc(o1)[*:1])C1CC1
Cc1ccsc1CN(Cc1nnc(-c2ccc(C)n2C)o1)C1CC1 Cc1ccsc1C[*:1] Cc1ccc(-c2nnc(CN(C3CC3)[*:1])o2)n1C
Cc1ccsc1CN(Cc1nnc(-c2ccc(C)n2C)o1)C1CC1 Cc1ccsc1[*:1] Cc1ccc(-c2nnc(CN(C[*:1])C3CC3)o2)n1C
CCC(CC)[NH+](Cc1ccnc(N)c1)CC(C)C CC(C)C[*:1] CCC(CC)[NH+](Cc1ccnc(N)c1)[*:1]
CCC(CC)[NH+](Cc1ccnc(N)c1)CC(C)C CCC(CC)[*:1] CC(C)C[NH+](Cc1ccnc(N)c1)[*:1]
CCC(CC)[NH+](Cc1ccnc(N)c1)CC(C)C CC(C)[*:1] CCC(CC)[NH+](Cc1ccnc(N)c1)C[*:1]
Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 Cc1cccc(c1)[*:1] O=C(c1cccnc1)N1CCC[C@@H](C1)c1cncc(n1)[*:1]
Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)-c1cncc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
COc1cccc2cc(-c3nn4c(C(F)(F)Cl)nnc4s3)oc12 FC(F)(Cl)[*:1] COc1cccc2cc(oc12)-c1nn2c(nnc2s1)[*:1]
CN(Cc1ccc(F)cc1F)C(=O)N[C@H](c1ccccc1)c1ccccn1 Fc1ccc(c(F)c1)[*:1] CN(C[*:1])C(=O)N[C@H](c1ccccc1)c1ccccn1
CN(Cc1ccc(F)cc1F)C(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] CN(Cc1ccc(F)cc1F)C(=O)N[C@H](c1ccccn1)[*:1]
CN(Cc1ccc(F)cc1F)C(=O)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] CN(Cc1ccc(F)cc1F)C(=O)N[C@H](c1ccccc1)[*:1]
CN(Cc1ccc(F)cc1F)C(=O)N[C@H](c1ccccc1)c1ccccn1 Fc1ccc(C[*:1])c(F)c1 CN(C(=O)N[C@H](c1ccccc1)c1ccccn1)[*:1]
O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 O=[N+]([O-])[*:1] O=C(Cc1ccccc1[*:1])N1CCN(CC1)C(=O)c1ccc(F)c(F)c1
O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccc(F)c(F)c1
CCc1nn(C)cc1CNc1cc(C(=O)N(C)C)ccc1C CN(C)C(=O)[*:1] CCc1nn(C)cc1CNc1cc(ccc1C)[*:1]
COc1ccc(OC)c(NC(=O)C[C@@H](c2cccc(C)c2)n2cccc2)c1 Cc1cccc(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)C[C@@H](n1cccc1)[*:1]
COc1ccc(OC)c(NC(=O)C[C@@H](c2cccc(C)c2)n2cccc2)c1 c1ccn(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)C[C@@H](c1cccc(C)c1)[*:1]
O=C(Nc1ccccc1F)N(Cc1ccsc1)Cc1ccco1 c1coc(c1)[*:1] O=C(Nc1ccccc1F)N(Cc1ccsc1)C[*:1]
O=C(Nc1ccccc1F)N(Cc1ccsc1)Cc1ccco1 c1cc(cs1)C[*:1] O=C(Nc1ccccc1F)N(Cc1ccco1)[*:1]
O=C(Nc1ccccc1F)N(Cc1ccsc1)Cc1ccco1 Fc1ccccc1[*:1] O=C(N[*:1])N(Cc1ccsc1)Cc1ccco1
O=C(Nc1ccccc1F)N(Cc1ccsc1)Cc1ccco1 c1coc(c1)C[*:1] O=C(Nc1ccccc1F)N(Cc1ccsc1)[*:1]
O=C(Nc1ccccc1F)N(Cc1ccsc1)Cc1ccco1 c1cc(cs1)[*:1] O=C(Nc1ccccc1F)N(Cc1ccco1)C[*:1]
O=C([O-])CSC(=S)Nc1ccccn1 O=C([O-])[*:1] S=C(Nc1ccccn1)SC[*:1]
O=C([O-])CSC(=S)Nc1ccccn1 O=C([O-])C[*:1] S=C(Nc1ccccn1)S[*:1]
CC(=O)N[C@@H](C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)N1CC[C@@H](C1)Oc1cccc(Cl)c1)[*:1]
CC(=O)N[C@@H](C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1)C1CCCC1 CC(=O)N[*:1] O=C([C@@H](C1CCCC1)[*:1])N1CC[C@@H](C1)Oc1cccc(Cl)c1
CC(=O)N[C@@H](C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1)C1CCCC1 Clc1cccc(c1)O[*:1] CC(=O)N[C@@H](C(=O)N1CC[C@H](C1)[*:1])C1CCCC1
CC(=O)N[C@@H](C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1)C1CCCC1 Clc1cccc(c1)[*:1] CC(=O)N[C@@H](C(=O)N1CC[C@@H](C1)O[*:1])C1CCCC1
COC1CC[NH+](CCNC(=O)c2csc(-c3cccs3)n2)CC1 c1csc(c1)[*:1] COC1CC[NH+](CCNC(=O)c2csc(n2)[*:1])CC1
O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1ccco1 Clc1ccccc1[*:1] O=C(Oc1ccc2C(=O)C(=C[*:1])Oc2c1)c1ccco1
O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1ccco1 O=C(O[*:1])c1ccco1 O=C1/C(=C/c2ccccc2Cl)Oc2cc(ccc21)[*:1]
O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1ccco1 c1coc(c1)[*:1] O=C1/C(=C/c2ccccc2Cl)Oc2cc(ccc21)OC(=O)[*:1]
Cc1cccc(Nc2cncc([C@@H]3CCCN(C(=O)CO)C3)n2)n1 Cc1cccc(n1)[*:1] O=C(CO)N1CCC[C@H](C1)c1cncc(n1)N[*:1]
Cc1cccc(Nc2cncc([C@@H]3CCCN(C(=O)CO)C3)n2)n1 Cc1cccc(n1)N[*:1] O=C(CO)N1CCC[C@H](C1)c1cncc(n1)[*:1]
CNC(=O)CC1CCN(c2cc3ccccc3c(Cl)n2)CC1 CNC(=O)[*:1] Clc1nc(cc2ccccc12)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(c2cc3ccccc3c(Cl)n2)CC1 CNC(=O)C[*:1] Clc1nc(cc2ccccc12)N1CCC(CC1)[*:1]
Cn1cc(NC(=O)c2ncoc2-c2cccs2)c(-c2ccccc2)n1 c1csc(c1)[*:1] Cn1cc(NC(=O)c2ncoc2[*:1])c(n1)-c1ccccc1
Cn1cc(NC(=O)c2ncoc2-c2cccs2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(NC(=O)c2ncoc2-c2cccs2)c(n1)[*:1]
COc1ccc(C)cc1C[S@](=O)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1C[S@](=O)[C@@H](C)[*:1]
Cn1cc[nH+]c1N1CCN(CCCF)CC1 FCCC[*:1] Cn1cc[nH+]c1N1CCN(CC1)[*:1]
Cn1cc[nH+]c1N1CCN(CCCF)CC1 FCC[*:1] Cn1cc[nH+]c1N1CCN(CC1)C[*:1]
CCOCCCN1C(=O)[C@H]2CCCCN2C(=O)[C@@H]1C CCOCCC[*:1] C[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1[*:1]
CCOCCCN1C(=O)[C@H]2CCCCN2C(=O)[C@@H]1C CCOCC[*:1] C[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C[*:1]
CCOCCCN1C(=O)[C@H]2CCCCN2C(=O)[C@@H]1C CCO[*:1] C[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1CCC[*:1]
CCOCCCN1C(=O)[C@H]2CCCCN2C(=O)[C@@H]1C CCOC[*:1] C[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1CC[*:1]
CN1C(=O)COc2ccc(NC(=O)NCC3CCC(C)(C)CC3)cc21 CC1(C)CCC(CC1)[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)NC[*:1]
CSCC[NH+](C)Cc1nc(C)c(C)o1 CSCC[*:1] Cc1nc(C[NH+](C)[*:1])oc1C
CSCC[NH+](C)Cc1nc(C)c(C)o1 CSC[*:1] Cc1nc(C[NH+](C)C[*:1])oc1C
CCC(CC)(CNC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1 CN1C[C@H](CC1=O)[*:1] CCC(CC)(CNC(=O)[*:1])c1ccccc1
CCC(CC)(CNC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)(CNC(=O)[C@H]1CC(=O)N(C)C1)[*:1]
CC(=O)N[C@@H](Cc1c(OCC(C)C)ccc2ccccc12)C(=O)[O-] CC(C)[*:1] CC(=O)N[C@@H](Cc1c(ccc2ccccc12)OC[*:1])C(=O)[O-]
CC(=O)N[C@@H](Cc1c(OCC(C)C)ccc2ccccc12)C(=O)[O-] CC(=O)N[*:1] CC(C)COc1ccc2ccccc2c1C[C@@H](C(=O)[O-])[*:1]
CC(=O)N[C@@H](Cc1c(OCC(C)C)ccc2ccccc12)C(=O)[O-] CC(C)CO[*:1] CC(=O)N[C@@H](Cc1c(ccc2ccccc12)[*:1])C(=O)[O-]
CC(=O)N[C@@H](Cc1c(OCC(C)C)ccc2ccccc12)C(=O)[O-] CC(C)C[*:1] CC(=O)N[C@@H](Cc1c(ccc2ccccc12)O[*:1])C(=O)[O-]
CC(=O)N[C@@H](Cc1c(OCC(C)C)ccc2ccccc12)C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H](Cc1c(ccc2ccccc12)OCC(C)C)[*:1]
CCC(CC)N(CC(C)C)C(=O)c1ccc(N)cc1F CC(C)[*:1] CCC(CC)N(C[*:1])C(=O)c1ccc(N)cc1F
CCC(CC)N(CC(C)C)C(=O)c1ccc(N)cc1F CC(C)C[*:1] CCC(CC)N(C(=O)c1ccc(N)cc1F)[*:1]
CCC(CC)N(CC(C)C)C(=O)c1ccc(N)cc1F CCC(CC)[*:1] CC(C)CN(C(=O)c1ccc(N)cc1F)[*:1]
Cc1ccc(-c2ocnc2C(=O)Nc2cc(Cl)c(Cl)cn2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cc(Cl)c(Cl)cn1)c1ncoc1[*:1]
C#CCN1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 C#CC[*:1] O=C(N[C@H]1CCCc2ccccc21)C1CCN(CC1)[*:1]
C[C@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccs1 O=C(N[*:1])[C@@H]1CCCO1 C[C@H](C(=O)Nc1ccc(cc1)[*:1])c1cccs1
C[C@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccs1 C[C@H](c1cccs1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])[C@@H]1CCCO1
C[C@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccs1 C1CO[C@@H](C1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)NC(=O)[*:1])c1cccs1
C[C@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)NC(=O)[C@@H]1CCCO1)[*:1]
Cc1cc(S(=O)(=O)NCC(C)(C)CCO)sc1C OCC[*:1] Cc1cc(sc1C)S(=O)(=O)NCC(C)(C)[*:1]
Cc1cc(S(=O)(=O)NCC(C)(C)CCO)sc1C CC(C)(CCO)[*:1] Cc1cc(sc1C)S(=O)(=O)NC[*:1]
COC(=O)c1cc2n(n1)CCCN(C(=O)C[C@@H]1CN(C(C)C)CCO1)C2 COC(=O)[*:1] CC(C)N1CCO[C@H](CC(=O)N2CCCn3nc(cc3C2)[*:1])C1
COC(=O)c1cc2n(n1)CCCN(C(=O)C[C@@H]1CN(C(C)C)CCO1)C2 CC(C)[*:1] COC(=O)c1cc2CN(CCCn2n1)C(=O)C[C@@H]1CN(CCO1)[*:1]
CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1cccnc1 c1cncc(c1)C[*:1] CCOC(=O)C1=C(N)Oc2cc(C)n(c(=O)c2[C@@H]1c1cccnc1)[*:1]
CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1cccnc1 c1cncc(c1)[*:1] CCOC(=O)C1=C(N)Oc2cc(C)n(C[*:1])c(=O)c2[C@@H]1c1cccnc1
CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1cccnc1 c1cncc(c1)[*:1] CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@H]1[*:1]
CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1cccnc1 CCOC(=O)[*:1] Cc1cc2OC(N)=C([C@@H](c3cccnc3)c2c(=O)n1Cc1cccnc1)[*:1]
Cc1c(C(=O)OCc2cccc(Cl)c2)oc2ccccc12 Clc1cccc(c1)[*:1] Cc1c(oc2ccccc12)C(=O)OC[*:1]
COc1ccc(-c2nnc(CN(c3ccc(F)cc3)C(C)C)o2)cc1 COc1ccc(cc1)[*:1] CC(C)N(Cc1nnc(o1)[*:1])c1ccc(F)cc1
COc1ccc(-c2nnc(CN(c3ccc(F)cc3)C(C)C)o2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nnc(CN(c2ccc(F)cc2)[*:1])o1
COc1ccc(-c2nnc(CN(c3ccc(F)cc3)C(C)C)o2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nnc(CN(C(C)C)[*:1])o1
OCCN1CNC2=N[C@@H](c3ccc(Cl)cc3F)n3c(nc4ccccc43)N2C1 Fc1cc(Cl)ccc1[*:1] OCCN1CNC2=N[C@@H](n3c(nc4ccccc43)N2C1)[*:1]
OCCN1CNC2=N[C@@H](c3ccc(Cl)cc3F)n3c(nc4ccccc43)N2C1 OCC[*:1] Fc1cc(Cl)ccc1[C@@H]1N=C2NCN(CN2c2nc3ccccc3n21)[*:1]
CC[C@@H](C)NC(=O)c1cccc(NCC(=O)N2CCCCCC2)c1 CC[C@@H](C)NC(=O)[*:1] O=C(CNc1cccc(c1)[*:1])N1CCCCCC1
CC[C@@H](C)NC(=O)c1cccc(NCC(=O)N2CCCCCC2)c1 CC[C@@H](C)[*:1] O=C(N[*:1])c1cccc(c1)NCC(=O)N1CCCCCC1
O=C(CC1CCCC1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O C1CCC(C1)C[*:1] O=C1S/C(=C\c2ccccc2F)C(=O)N1CCNC(=O)[*:1]
O=C(CC1CCCC1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O C1CCC(C1)[*:1] O=C(C[*:1])NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O
O=C(CC1CCCC1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O Fc1ccccc1[*:1] O=C(CC1CCCC1)NCCN1C(=O)SC(=C[*:1])C1=O
C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)Cn1cnc(n1)[N+](=O)[O-])N(C)[*:1]
C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N(C)c1ccccc1 O=[N+]([O-])[*:1] C[C@@H](CNC(=O)Cn1cnc(n1)[*:1])N(C)c1ccccc1
CSc1ccc(CNC(=O)CN2C(=O)c3cccnc3Sc3ccccc32)cc1 CSc1ccc(cc1)C[*:1] O=C(CN1C(=O)c2cccnc2Sc2ccccc21)N[*:1]
CSc1ccc(CNC(=O)CN2C(=O)c3cccnc3Sc3ccccc32)cc1 CSc1ccc(cc1)[*:1] O=C(CN1C(=O)c2cccnc2Sc2ccccc21)NC[*:1]
CNC(=O)c1cccc(N2C[C@@H](C)O[C@H](C)C2)n1 CNC(=O)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1cccc(n1)[*:1]
CC[C@H](NC(=O)N1CCC(=Cc2ccccc2)CC1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)N1CCC(=Cc2ccccc2)CC1)[*:1]
CC[C@H](NC(=O)N1CCC(=Cc2ccccc2)CC1)C(=O)N1CCOCC1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)N1CCC(=C[*:1])CC1)C(=O)N1CCOCC1
O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C1S/C(=C\c2cccn2[*:1])C(=O)N1Cc1ccc(Cl)cc1
O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C1S/C(=C\c2cccn2-c2cccc(c2)[N+](=O)[O-])C(=O)N1[*:1]
O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1S/C(=C\c2cccn2-c2cccc(c2)[N+](=O)[O-])C(=O)N1C[*:1]
O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C1S/C(=C\c2cccn2-c2cccc(c2)[*:1])C(=O)N1Cc1ccc(Cl)cc1
Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2nccs2)n1 FC(F)(F)[*:1] Cc1cc(nc(n1)SCC(=O)Nc1nccs1)[*:1]
Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2nccs2)n1 c1csc(n1)[*:1] Cc1cc(nc(n1)SCC(=O)N[*:1])C(F)(F)F
CC[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)[*:1]
Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)C[C@H]3C=CS(=O)(=O)C3)cc12 Fc1ccccc1[*:1] Cc1c([nH]c2ccc(cc12)CNC(=O)C[C@H]1C=CS(=O)(=O)C1)[*:1]
COC[C@H]1CCC[C@H]1Nc1ncnc2c1CCN(C(=O)C=C(C)C)CC2 COC[*:1] CC(C)=CC(=O)N1CCc2ncnc(N[C@@H]3CCC[C@@H]3[*:1])c2CC1
COC[C@H]1CCC[C@H]1Nc1ncnc2c1CCN(C(=O)C=C(C)C)CC2 CC(C)=C[*:1] COC[C@H]1CCC[C@H]1Nc1ncnc2CCN(CCc21)C(=O)[*:1]
CS(=O)(=O)CC1(CC(=O)NCc2cccc(CO)c2)CC1 CS(=O)(=O)[*:1] O=C(CC1(CC1)C[*:1])NCc1cccc(c1)CO
CS(=O)(=O)CC1(CC(=O)NCc2cccc(CO)c2)CC1 CS(=O)(=O)C[*:1] O=C(CC1(CC1)[*:1])NCc1cccc(c1)CO
CCOc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCOc1ccccc1CN(C[C@H]1CCCO1)C(=O)N[*:1]
CCOc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1cccc(Cl)c1 CCOc1ccccc1[*:1] O=C(Nc1cccc(Cl)c1)N(C[C@H]1CCCO1)C[*:1]
CCOc1ccccc1CN(C[C@H]1CCCO1)C(=O)Nc1cccc(Cl)c1 CCO[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1ccccc1[*:1])C[C@H]1CCCO1
Cn1cc(C(=O)Nc2cc(Cl)c(Cl)cn2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2cc(Cl)c(Cl)cn2)c(n1)[*:1]
O=S(=O)(NCC[C@@H](O)c1ccccc1)c1ccc2ccccc2c1 O[C@@H](c1ccccc1)[*:1] O=S(=O)(NCC[*:1])c1ccc2ccccc2c1
O=S(=O)(NCC[C@@H](O)c1ccccc1)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=S(=O)(NCC[C@@H](O)[*:1])c1ccc2ccccc2c1
c1ccc(CN2CCO[C@@H](c3nc(-c4c[nH]c5ccccc45)cs3)C2)cc1 c1ccc2c(c[nH]c2c1)[*:1] c1ccc(cc1)CN1CCO[C@H](C1)c1nc(cs1)[*:1]
c1ccc(CN2CCO[C@@H](c3nc(-c4c[nH]c5ccccc45)cs3)C2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c[nH]c2c1)-c1csc(n1)[C@H]1CN(CCO1)C[*:1]
c1ccc(CN2CCO[C@@H](c3nc(-c4c[nH]c5ccccc45)cs3)C2)cc1 c1ccc(cc1)C[*:1] c1ccc2c(c[nH]c2c1)-c1csc(n1)[C@H]1CN(CCO1)[*:1]
COC(=O)[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1C#N COC(=O)[*:1] N#Cc1ccccc1OCC(=O)N[C@@H]1CCCC[C@@H]1[*:1]
Cc1cccc([S@](=O)Cc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)o2)c1 Cc1cccc(c1)[*:1] O=C(c1ccc(C[S@@](=O)[*:1])o1)N1CCN(CC1)c1cccc[nH+]1
Cc1cccc([S@](=O)Cc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)o2)c1 Cc1cccc(c1)[S@](=O)[*:1] O=C(c1ccc(C[*:1])o1)N1CCN(CC1)c1cccc[nH+]1
CCCCc1n[nH]c(SCC(=O)Nc2ncccn2)n1 c1cnc(nc1)[*:1] CCCCc1n[nH]c(n1)SCC(=O)N[*:1]
CCCCc1n[nH]c(SCC(=O)Nc2ncccn2)n1 CCC[*:1] O=C(CSc1nc(C[*:1])n[nH]1)Nc1ncccn1
CCCCc1n[nH]c(SCC(=O)Nc2ncccn2)n1 CCCC[*:1] O=C(CSc1nc(n[nH]1)[*:1])Nc1ncccn1
COC(=O)[C@H](N)[C@@H]1CCOC2(CCSCC2)C1 COC(=O)[*:1] N[C@H]([C@@H]1CCOC2(CCSCC2)C1)[*:1]
COC(=O)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 COC(=O)C[*:1] CN(C[*:1])C(=O)c1ccc(cc1)[N+](=O)[O-]
COC(=O)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 COC(=O)[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)[N+](=O)[O-]
COC(=O)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC(=O)CCN(C)C(=O)c1ccc(cc1)[*:1]
COC(=O)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 COC(=O)CC[*:1] CN(C(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCCn1/c(=N/C(=O)c2ccccc2C)c(C#N)cc2c(=O)n3cccc(C)c3nc21 CCC[*:1] Cc1ccccc1C(=O)/N=c1\c(C#N)cc2c(=O)n3cccc(C)c3nc2n1[*:1]
CCCn1/c(=N/C(=O)c2ccccc2C)c(C#N)cc2c(=O)n3cccc(C)c3nc21 Cc1ccccc1[*:1] CCCn1/c(=N/C(=O)[*:1])c(C#N)cc2c(=O)n3cccc(C)c3nc21
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cc(C#N)ccc1Cl Cc1ccccc1[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)[C@H]1C[C@H]1[*:1]
CC(C)N(C)C(=O)CCc1nnc(-c2ccsc2)o1 c1cc(cs1)[*:1] CC(C)N(C)C(=O)CCc1nnc(o1)[*:1]
CC(C)N(C)C(=O)CCc1nnc(-c2ccsc2)o1 CC(C)[*:1] CN(C(=O)CCc1nnc(o1)-c1ccsc1)[*:1]
COc1ccccc1-c1ccc(N[C@@H](C)Cn2nc(C)cc2C)[nH+]n1 Cc1cc(C)n(C[*:1])n1 COc1ccccc1-c1ccc(N[C@@H](C)[*:1])[nH+]n1
COc1ccccc1-c1ccc(N[C@@H](C)Cn2nc(C)cc2C)[nH+]n1 COc1ccccc1[*:1] Cc1cc(C)n(C[C@H](C)Nc2ccc(n[nH+]2)[*:1])n1
COc1ccccc1-c1ccc(N[C@@H](C)Cn2nc(C)cc2C)[nH+]n1 Cc1cc(C)n(n1)[*:1] COc1ccccc1-c1ccc(N[C@@H](C)C[*:1])[nH+]n1
CCC[C@H]1C[C@H]1NC(=O)[C@@H](C)O[C@@H]1CCC[C@H](C)C1 CCC[C@H]1C[C@@H]1[*:1] C[C@H]1CCC[C@H](C1)O[C@H](C)C(=O)N[*:1]
CCC[C@H]1C[C@H]1NC(=O)[C@@H](C)O[C@@H]1CCC[C@H](C)C1 CCC[*:1] C[C@H]1CCC[C@H](C1)O[C@H](C)C(=O)N[C@@H]1C[C@@H]1[*:1]
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@@H]2CC(=O)Nc1cccc(F)c1 Clc1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2cccc(F)c2)c1[*:1]
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@@H]2CC(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)N[*:1])c1-c1ccc(Cl)cc1
CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 CC(C)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)c1cccc(c1)S(=O)(=O)[*:1])c2C(N)=O
CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 CC(C)S(=O)(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)c1cccc(c1)[*:1])c2C(N)=O
CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 NC(=O)[*:1] CC(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1sc2C[C@H](C)CCc2c1[*:1]
C[C@@H](NS(=O)(=O)N(C)C)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](NS(=O)(=O)N(C)C)c1cccc(c1)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc(OC)cc2F)cc1 COc1ccc(cc1)[*:1] COc1ccc(C(=O)N[C@H](C)[C@@H](O)[*:1])c(F)c1
COc1ccc(CNC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)CCC(=O)N[*:1]
COc1ccc(CNC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C(CCC(=O)Nc1ccc(Cl)cc1)NC[*:1]
Cc1ccc(C[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)s1 Cc1ccc(s1)[*:1] C[C@H]1CN(Cc2ccc(cc2)C[NH2+]C[*:1])C[C@H](C)O1
Cc1ccc(C[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)s1 C[C@H]1CN(C[C@H](C)O1)[*:1] Cc1ccc(C[NH2+]Cc2ccc(cc2)C[*:1])s1
Cc1ccc(C[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)s1 Cc1ccc(C[*:1])s1 C[C@H]1CN(Cc2ccc(cc2)C[NH2+][*:1])C[C@H](C)O1
Cc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Br)cc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN1C(=O)[C@@](O)(CC(=O)[*:1])c2cc(Br)ccc21
O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@H](O)c1ccco1 c1coc(c1)[*:1] O=C(Cc1csc(n1)-c1ccccc1Cl)NC[C@H](O)[*:1]
O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@H](O)c1ccco1 Clc1ccccc1[*:1] O=C(Cc1csc(n1)[*:1])NC[C@H](O)c1ccco1
O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1O O=[N+]([O-])[*:1] Oc1cc(ccc1[*:1])CN1CCC[C@H](CC1)[NH+]1CCCC1
COc1cccc(-c2nnn(CC(=O)NC3CCCC3)n2)c1 C1CCC(C1)[*:1] COc1cccc(c1)-c1nnn(CC(=O)N[*:1])n1
CCCc1cc(NC(=O)NCCc2c[nH]c3cccc(C)c23)n(C)n1 CCC[*:1] Cc1cccc2[nH]cc(CCNC(=O)Nc3cc(nn3C)[*:1])c12
COc1ccc(C(=O)OCc2nnc(C)o2)cc1[N+](=O)[O-] Cc1nnc(o1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)OC[*:1]
COc1ccc(C(=O)OCc2nnc(C)o2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)OCc1nnc(C)o1
COc1ccc(C(=O)OCc2nnc(C)o2)cc1[N+](=O)[O-] Cc1nnc(C[*:1])o1 COc1ccc(cc1[N+](=O)[O-])C(=O)O[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C)c1ccc(Cl)cc1NC(=O)C1CCN(CC1)C(=O)N[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 CN(C)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])C1CCN(CC1)C(=O)Nc1ccccc1
C[NH+](C)[C@H](CNC(=O)c1ccc[nH]c1=O)c1ccsc1 c1cc(cs1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc[nH]c1=O)[*:1]
Cc1ccc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)o2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(-c2nnc(NC(=O)CCCS(=O)(=O)[*:1])o2)c(C)c1
Cc1ccc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)o2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(o1)[*:1]
O=C(C1CCC1)N1CC(OCc2ccc(Cl)cc2)C1 C1CC(C1)[*:1] O=C(N1CC(C1)OCc1ccc(Cl)cc1)[*:1]
Cc1ccc(Cl)cc1N(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1N(CC(=O)N1CCCCCC1)S(=O)(=O)[*:1]
Cc1ccc(Cl)cc1N(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccccc1 O=C(N1CCCCCC1)[*:1] Cc1ccc(Cl)cc1N(C[*:1])S(=O)(=O)c1ccccc1
Cc1ccc(Cl)cc1N(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccccc1 Cc1ccc(Cl)cc1[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])N1CCCCCC1
CCOC(=O)c1cccnc1SCCc1scnc1C Cc1ncsc1[*:1] CCOC(=O)c1cccnc1SCC[*:1]
CCOC(=O)c1cccnc1SCCc1scnc1C CCOC(=O)[*:1] Cc1ncsc1CCSc1ncccc1[*:1]
COc1ccc(Cl)cc1NC(=O)c1ccc(-c2cccc(C)c2)nc1 Cc1cccc(c1)[*:1] COc1ccc(Cl)cc1NC(=O)c1ccc(nc1)[*:1]
CC(C)N(C)C(=O)CC1(CS(C)(=O)=O)CC1 CC(C)[*:1] CN(C(=O)CC1(CC1)CS(C)(=O)=O)[*:1]
CC(C)N(C)C(=O)CC1(CS(C)(=O)=O)CC1 CS(=O)(=O)[*:1] CC(C)N(C)C(=O)CC1(CC1)C[*:1]
CC(C)N(C)C(=O)CC1(CS(C)(=O)=O)CC1 CS(=O)(=O)C[*:1] CC(C)N(C)C(=O)CC1(CC1)[*:1]
Cc1occc1-c1nnc(SCC(=O)c2ccc(C(C)C)cc2)o1 CC(C)[*:1] Cc1occc1-c1nnc(o1)SCC(=O)c1ccc(cc1)[*:1]
Cc1occc1-c1nnc(SCC(=O)c2ccc(C(C)C)cc2)o1 Cc1occc1[*:1] CC(C)c1ccc(cc1)C(=O)CSc1nnc(o1)[*:1]
COc1cc(C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc(OC)c1OC c1cncc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)NCC1CCN(CC1)C(=O)[*:1]
O=C(NCCc1nnc2ccccn12)NCC1CCCC1 C1CCC(C1)C[*:1] O=C(NCCc1nnc2ccccn12)N[*:1]
O=C(NCCc1nnc2ccccn12)NCC1CCCC1 C1CCC(C1)[*:1] O=C(NCCc1nnc2ccccn12)NC[*:1]
CCOC(=O)CC[C@@H](C)NC(=O)N1CCCC1(C)C CCOC(=O)C[*:1] C[C@H](C[*:1])NC(=O)N1CCCC1(C)C
CCOC(=O)CC[C@@H](C)NC(=O)N1CCCC1(C)C CCOC(=O)[*:1] C[C@H](CC[*:1])NC(=O)N1CCCC1(C)C
COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1ccccc1SC CSc1ccccc1[*:1] COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)N[*:1]
CN(C)C(=O)C1CCN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CC1 CN(C)C(=O)[*:1] CC(C)(C)c1ccc(cc1)OCCNC(=O)N1CCC(CC1)[*:1]
CN(C)C(=O)C1CCN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)NCCOc1ccc(cc1)[*:1]
C[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 C[NH+]1CCN(CC1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)[NH2+]CCCC[*:1]
CC[NH2+][C@H](C)Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[NH2+][C@H](C)Cc1cc(Cl)c(Cl)cc1[*:1]
N#Cc1ncn(-c2ccc([N+](=O)[O-])cc2C#N)n1 O=[N+]([O-])[*:1] N#Cc1ncn(n1)-c1ccc(cc1C#N)[*:1]
Cc1cc(C(=O)NCc2cccnc2)nc(N(C)C)n1 CN(C)[*:1] Cc1cc(nc(n1)[*:1])C(=O)NCc1cccnc1
Cc1cc(C(=O)NCc2cccnc2)nc(N(C)C)n1 c1cncc(c1)[*:1] Cc1cc(nc(n1)N(C)C)C(=O)NC[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)NCCC(=O)NC(C)C)o1 CCc1ccc(o1)[*:1] CC(C)NC(=O)CCNC(=O)N1CCOC[C@H]1[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)NCCC(=O)NC(C)C)o1 CC(C)[*:1] CCc1ccc(o1)[C@@H]1COCCN1C(=O)NCCC(=O)N[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)NCCC(=O)NC(C)C)o1 CC(C)NC(=O)CC[*:1] CCc1ccc(o1)[C@@H]1COCCN1C(=O)N[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)NCCC(=O)NC(C)C)o1 CC(C)NC(=O)C[*:1] CCc1ccc(o1)[C@@H]1COCCN1C(=O)NC[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)NCCC(=O)NC(C)C)o1 CC(C)NC(=O)[*:1] CCc1ccc(o1)[C@@H]1COCCN1C(=O)NCC[*:1]
C[C@@H]1C[C@@H](NC(=O)c2ncoc2[C@@H]2CCCO2)CN1c1ccccc1 C1CO[C@@H](C1)[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)c1ncoc1[*:1]
C[C@@H]1C[C@@H](NC(=O)c2ncoc2[C@@H]2CCCO2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1[*:1])NC(=O)c1ncoc1[C@@H]1CCCO1
COc1ccc(-c2csc3nc(SCC(=O)NCc4ccccc4)nc(N)c23)cc1 COc1ccc(cc1)[*:1] Nc1nc(nc2scc(c12)[*:1])SCC(=O)NCc1ccccc1
COc1ccc(-c2csc3nc(SCC(=O)NCc4ccccc4)nc(N)c23)cc1 O=C(NCc1ccccc1)[*:1] COc1ccc(cc1)-c1csc2nc(nc(N)c12)SC[*:1]
COc1ccc(-c2csc3nc(SCC(=O)NCc4ccccc4)nc(N)c23)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1csc2nc(nc(N)c12)SCC(=O)NC[*:1]
COc1ccc(-c2csc3nc(SCC(=O)NCc4ccccc4)nc(N)c23)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1csc2nc(nc(N)c12)SCC(=O)N[*:1]
CCc1ccc(CN(C)C(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 CCc1ccc(cc1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)C(=O)N(C)C[*:1]
CCc1ccc(CN(C)C(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 CCc1ccc(cc1)C[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)C(=O)N(C)[*:1]
O=C(CNC(=O)N1CCN(c2ccccc2)CC1)/N=C1/N=N[C@H](C2CC2)S1 C1CC1[*:1] O=C(CNC(=O)N1CCN(CC1)c1ccccc1)/N=C1/N=N[C@H](S1)[*:1]
O=C(CNC(=O)N1CCN(c2ccccc2)CC1)/N=C1/N=N[C@H](C2CC2)S1 c1ccc(cc1)[*:1] O=C(CNC(=O)N1CCN(CC1)[*:1])/N=C1/N=N[C@@H](S1)C1CC1
O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(COc1cccc(c1)C(F)(F)F)N1CCN(CC1)[*:1]
O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(O)cc2)CC1 FC(F)(F)[*:1] O=C(COc1cccc(c1)[*:1])N1CCN(CC1)c1ccc(O)cc1
CC(=O)N1CCc2cc(NC(=O)N3CCC(c4ccccc4)CC3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)N1CCC(CC1)[*:1]
Cc1nnc2ccc(NCc3ccnc(-n4ccnc4)c3)nn12 c1cn(cn1)[*:1] Cc1nnc2ccc(nn12)NCc1ccnc(c1)[*:1]
CC(C)C(=O)N1CCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 CC(C)[*:1] O=C(c1ccccc1)c1ccc(cc1)OCC(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)C(=O)N1CCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 O=C(c1ccccc1)[*:1] CC(C)C(=O)N1CCN(CC1)C(=O)COc1ccc(cc1)[*:1]
CC(C)C(=O)N1CCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] CC(C)C(=O)N1CCN(CC1)C(=O)COc1ccc(cc1)C(=O)[*:1]
COCC(=O)NCCC1CC[NH2+]CC1 COC[*:1] O=C(NCCC1CC[NH2+]CC1)[*:1]
CCOc1cc(C)c(S(N)(=O)=O)cc1C(C)C NS(=O)(=O)[*:1] CCOc1cc(C)c(cc1C(C)C)[*:1]
CCOc1cc(C)c(S(N)(=O)=O)cc1C(C)C CC(C)[*:1] CCOc1cc(C)c(cc1[*:1])S(N)(=O)=O
CCOc1cc(C)c(S(N)(=O)=O)cc1C(C)C CCO[*:1] Cc1cc(c(cc1S(N)(=O)=O)C(C)C)[*:1]
Cc1cc(NC(=O)c2cc3cccc(Cl)c3o2)c(C(N)=O)cc1F NC(=O)[*:1] Cc1cc(NC(=O)c2cc3cccc(Cl)c3o2)c(cc1F)[*:1]
COC(=O)CN(Cc1nnc(-c2ccccc2)o1)C1CCOCC1 COC(=O)C[*:1] c1ccc(cc1)-c1nnc(CN(C2CCOCC2)[*:1])o1
COC(=O)CN(Cc1nnc(-c2ccccc2)o1)C1CCOCC1 C1CC(CCO1)[*:1] COC(=O)CN(Cc1nnc(o1)-c1ccccc1)[*:1]
COC(=O)CN(Cc1nnc(-c2ccccc2)o1)C1CCOCC1 c1ccc(cc1)[*:1] COC(=O)CN(Cc1nnc(o1)[*:1])C1CCOCC1
COC(=O)CN(Cc1nnc(-c2ccccc2)o1)C1CCOCC1 COC(=O)[*:1] c1ccc(cc1)-c1nnc(CN(C[*:1])C2CCOCC2)o1
Cc1c(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cnn1-c1ccccn1 Fc1cccc(c1)[*:1] Cc1c(cnn1-c1ccccn1)C(=O)Nc1ccc2nc([nH]c2c1)[*:1]
Cc1c(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc2nc([nH]c2c1)-c1cccc(F)c1
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)OCO3)C1 C=CC[*:1] O=C(c1ccc2OCOc2c1)N1CCC[C@@](C1)(C(=O)[O-])[*:1]
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)OCO3)C1 O=C([O-])[*:1] C=CC[C@]1(CCCN(C1)C(=O)c1ccc2OCOc2c1)[*:1]
CCS(=O)(=O)N1CCN(C(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)CC1 Fc1cccc(Cl)c1[*:1] CCS(=O)(=O)N1CCN(CC1)C(=O)[C@H]1CC(=NO1)[*:1]
COc1ccc(CNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1 Clc1ccnc(c1)[*:1] COc1ccc(cc1)CNC(=O)CNC(=O)[*:1]
CCOC(=O)C=C1N[C@]2(C)CCCC[C@@H]2c2ccccc21 CCOC(=O)[*:1] C[C@@]12CCCC[C@@H]1c1ccccc1C(=C[*:1])N2
CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc12 CCN(CC)C(=O)[*:1] O=C(Cn1c(=O)cc(c2ccccc21)[*:1])Nc1ccc(F)c(Cl)c1
CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc12 Fc1ccc(cc1Cl)[*:1] CCN(CC)C(=O)c1cc(=O)n(CC(=O)N[*:1])c2ccccc12
CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccn3)n2)s1 c1ccc(nc1)N[*:1] CCC(=O)Nc1nc(C)c(s1)-c1csc(n1)[*:1]
CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccn3)n2)s1 CCC(=O)N[*:1] Cc1nc(sc1-c1csc(n1)Nc1ccccn1)[*:1]
CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccn3)n2)s1 c1ccc(nc1)[*:1] CCC(=O)Nc1nc(C)c(s1)-c1csc(n1)N[*:1]
CNc1ccc2nc(CC[C@@H](CC[NH3+])C(C)C)[nH]c2n1 CC(C)[*:1] CNc1ccc2nc(CC[C@@H](CC[NH3+])[*:1])[nH]c2n1
CNc1ccc2nc(CC[C@@H](CC[NH3+])C(C)C)[nH]c2n1 [NH3+]CC[*:1] CNc1ccc2nc(CC[C@@H](C(C)C)[*:1])[nH]c2n1
COc1ccc(C)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 COc1ccc(C)cc1[*:1] COc1ccc(cc1C(=O)N1CCOCC1)S(=O)(=O)N[*:1]
COc1ccc(C)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 O=C(N1CCOCC1)[*:1] COc1ccc(C)cc1NS(=O)(=O)c1ccc(OC)c(c1)[*:1]
CCOCCC(=O)NCc1cc(C)oc1C CCOC[*:1] Cc1cc(CNC(=O)C[*:1])c(C)o1
CCOCCC(=O)NCc1cc(C)oc1C CCOCC[*:1] Cc1cc(CNC(=O)[*:1])c(C)o1
CCOCCC(=O)NCc1cc(C)oc1C CCO[*:1] Cc1cc(CNC(=O)CC[*:1])c(C)o1
Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@H](c1ccco1)C2 c1coc(c1)[*:1] Cc1nn(-c2nc3ccccc3s2)c2C[C@@H](CC(=O)c12)[*:1]
C[NH+](CCc1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)CC1 O=[N+]([O-])[*:1] C[NH+](CCc1ccc(cc1)[*:1])C1CCS(=O)(=O)CC1
CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C2CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(nn1[*:1])C1CC1
CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C2CC2)nn1-c1ccccc1 CNC(=O)NC(=O)[*:1] C[C@H](OC(=O)c1cc(nn1-c1ccccc1)C1CC1)[*:1]
CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C2CC2)nn1-c1ccccc1 C1CC1[*:1] CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(nn1-c1ccccc1)[*:1]
CCc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)S(=O)(=O)N1CCO[C@@H](C1)[*:1]
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 Cc1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccco1)S[C@@H](C)C(=O)N[*:1]
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccco1)S[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCCCc1[nH]nc2c1[C@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2 CCC[*:1] CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3n[nH]c(C[*:1])c32)c2ccccc21
CCCCc1[nH]nc2c1[C@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2 CCCC[*:1] CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3n[nH]c(c32)[*:1])c2ccccc21
CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1cccc(C)c1 Cc1cccc(c1)[*:1] CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)N[*:1]
CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1cccc(C)c1 CCO[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)Sc1nnnn1-c1ccccc1[*:1]
CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1cccc(C)c1 CCOc1ccccc1[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)Sc1nnnn1[*:1]
C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccccc1F)N1CCOCC1)[*:1]
C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1ccco1 Fc1ccccc1[*:1] C[NH+](C)[C@@H](CNC(=O)[C@@H](N1CCOCC1)[*:1])c1ccco1
C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1ccco1 C1CN(CCO1)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccccc1F)[*:1])c1ccco1
Cc1ccc(C(F)(F)F)cc1NCC(=O)OC(C)C CC(C)[*:1] Cc1ccc(cc1NCC(=O)O[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)cc1NCC(=O)OC(C)C FC(F)(F)[*:1] Cc1ccc(cc1NCC(=O)OC(C)C)[*:1]
Cc1ccc(C(F)(F)F)cc1NCC(=O)OC(C)C CC(C)OC(=O)[*:1] Cc1ccc(cc1NC[*:1])C(F)(F)F
C[C@@H]1CCC[C@@H](CC[NH+]2CCN(CC(F)F)CC2)C1 FC(F)C[*:1] C[C@@H]1CCC[C@@H](CC[NH+]2CCN(CC2)[*:1])C1
C[C@@H]1CCC[C@@H](CC[NH+]2CCN(CC(F)F)CC2)C1 FC(F)[*:1] C[C@@H]1CCC[C@@H](CC[NH+]2CCN(CC2)C[*:1])C1
O=C(CNC(=O)c1cccc(F)c1)NCc1ccccc1OC(F)F FC(F)O[*:1] O=C(CNC(=O)c1cccc(F)c1)NCc1ccccc1[*:1]
O=C(CNC(=O)c1cccc(F)c1)NCc1ccccc1OC(F)F Fc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])NCc1ccccc1OC(F)F
O=C(CNC(=O)c1cccc(F)c1)NCc1ccccc1OC(F)F FC(F)[*:1] O=C(CNC(=O)c1cccc(F)c1)NCc1ccccc1O[*:1]
CCN(C(=O)CO/N=C(/N)[C@H]1CCOC1)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)CO/N=C(/N)[C@H]1CCOC1)[*:1]
COc1ccc(C(=O)N(C)C)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] COc1ccc(cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1])C(=O)N(C)C
COc1ccc(C(=O)N(C)C)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] CN(C)C(=O)[*:1] COc1ccc(cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])[*:1]
CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCS(=O)(=O)C1 CN(C)[*:1] O=C(NCc1ccc[nH+]c1[*:1])[C@@H]1CCS(=O)(=O)C1
CS[C@@H](C)c1cccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 Fc1ccc(cc1F)[*:1] CS[C@@H](C)c1cccc(c1)NC(=O)N1CCO[C@@H](C1)[*:1]
CS[C@@H](C)c1cccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 CS[C@@H](C)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCO[C@H](C1)c1ccc(F)c(F)c1
CC(C)(C)c1nnc2sc(COc3ccccc3)nn12 CC(C)(C)[*:1] c1ccc(cc1)OCc1nn2c(nnc2s1)[*:1]
CC(C)(C)c1nnc2sc(COc3ccccc3)nn12 c1ccc(cc1)[*:1] CC(C)(C)c1nnc2sc(CO[*:1])nn12
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)sc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(sc1[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)sc1-c1ccc(F)cc1 O=[N+]([O-])c1ccccc1[*:1] Cc1cc(sc1-c1ccc(F)cc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)sc1-c1ccc(F)cc1 O=[N+]([O-])[*:1] Cc1cc(sc1-c1ccc(F)cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N4CCCC[C@@H]4c4cccnc4)c3C)nc1-2 c1cncc(c1)[*:1] COc1ccc2c(c1)CCc1cnc(nc1-2)-n1ncc(C(=O)N2CCCC[C@H]2[*:1])c1C
Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCN(c3ncccn3)CC1)CS2 c1cnc(nc1)[*:1] Cc1cnc2SC[C@H](Cn2c1=O)C(=O)N1CCN(CC1)[*:1]
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)CNC(=O)[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](C)[S@](=O)Cc2nnnn2C2CC2)c1 C1CC1n1nnnc1[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](C)[S@](=O)C[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](C)[S@](=O)Cc2nnnn2C2CC2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](C)[S@](=O)Cc1nnnn1[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](C)[S@](=O)Cc2nnnn2C2CC2)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](C(=O)N[*:1])[S@](=O)Cc1nnnn1C1CC1
CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccn2)C2=C(CCCC2=O)N1 c1ccc(cc1)CC[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)O[*:1])c1ccccn1
CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccn2)C2=C(CCCC2=O)N1 c1ccc(cc1)C[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)OC[*:1])c1ccccn1
CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccn2)C2=C(CCCC2=O)N1 c1ccc(nc1)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)OCCc1ccccc1)[*:1]
CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccn2)C2=C(CCCC2=O)N1 c1ccc(cc1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)OCC[*:1])c1ccccn1
COc1ccc(C[NH+](CC(N)=O)Cc2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] COc1ccc(C[NH+](CC(N)=O)C[*:1])c(Cl)c1
COc1ccc(C[NH+](CC(N)=O)Cc2ccccc2)c(Cl)c1 NC(=O)[*:1] COc1ccc(C[NH+](Cc2ccccc2)C[*:1])c(Cl)c1
COc1ccc(C[NH+](CC(N)=O)Cc2ccccc2)c(Cl)c1 c1ccc(cc1)C[*:1] COc1ccc(C[NH+](CC(N)=O)[*:1])c(Cl)c1
CC[C@H](CSC)N(C)C(=O)NOc1ccccc1C(F)(F)F CSC[*:1] CC[C@H](N(C)C(=O)NOc1ccccc1C(F)(F)F)[*:1]
CC[C@H](CSC)N(C)C(=O)NOc1ccccc1C(F)(F)F FC(F)(F)[*:1] CC[C@H](CSC)N(C)C(=O)NOc1ccccc1[*:1]
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12)[*:1]
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NN1CCOCC1 O=[N+]([O-])[*:1] C[C@@H](Sc1ccc(cc1)[*:1])C(=O)NN1CCOCC1
C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccccc3)cc2C1=O c1ccc(cc1)[*:1] C[C@@H](N1C(=O)c2ccc(cc2C1=O)C(=O)NNC(=O)c1ccccc1)[*:1]
C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)NNC(=O)c3ccccc3)cc2C1=O c1ccc(cc1)[*:1] C[C@@H](c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NNC(=O)[*:1]
N#C/C(=C\Nc1nc2c(s1)CCCC2)C(N)=O NC(=O)[*:1] N#CC(=CNc1nc2CCCCc2s1)[*:1]
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)sc1C Clc1ccc(cc1)[*:1] Cc1nc(sc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(O)cc1
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)sc1C Cc1nc(sc1C)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc(O)cc1)[*:1])c1ccc(Cl)cc1
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)sc1C Oc1ccc(cc1)[*:1] Cc1nc(sc1C)N1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1[*:1]
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)sc1C O=C(c1ccc(Cl)cc1)[*:1] Cc1nc(sc1C)N1C(=O)C([O-])=C([C@H]1c1ccc(O)cc1)[*:1]
O=c1[nH]nc(SCc2csc(COc3ccc(Cl)cc3)n2)n1C1CC1 Clc1ccc(cc1)O[*:1] O=c1[nH]nc(SCc2csc(C[*:1])n2)n1C1CC1
O=c1[nH]nc(SCc2csc(COc3ccc(Cl)cc3)n2)n1C1CC1 Clc1ccc(cc1)[*:1] O=c1[nH]nc(SCc2csc(CO[*:1])n2)n1C1CC1
O=c1[nH]nc(SCc2csc(COc3ccc(Cl)cc3)n2)n1C1CC1 C1CC1[*:1] O=c1[nH]nc(SCc2csc(COc3ccc(Cl)cc3)n2)n1[*:1]
COc1ccc(NC(=O)NCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)NCCN2C[C@@H](C)O[C@H](C)C2)c(c1)[*:1]
CCCCNC(=O)C1(NCc2cccnc2Cl)CCCCC1 CCC[*:1] O=C(NC[*:1])C1(CCCCC1)NCc1cccnc1Cl
CCCCNC(=O)C1(NCc2cccnc2Cl)CCCCC1 CCCCNC(=O)[*:1] Clc1ncccc1CNC1(CCCCC1)[*:1]
CCCCNC(=O)C1(NCc2cccnc2Cl)CCCCC1 Clc1ncccc1[*:1] CCCCNC(=O)C1(CCCCC1)NC[*:1]
CCCCNC(=O)C1(NCc2cccnc2Cl)CCCCC1 CCCC[*:1] O=C(N[*:1])C1(CCCCC1)NCc1cccnc1Cl
C=CCOc1ccccc1/C=C(/C#N)c1ccccn1 C=CC[*:1] N#C/C(=C/c1ccccc1O[*:1])c1ccccn1
C=CCOc1ccccc1/C=C(/C#N)c1ccccn1 C=CCO[*:1] N#C/C(=C/c1ccccc1[*:1])c1ccccn1
C=CCOc1ccccc1/C=C(/C#N)c1ccccn1 c1ccc(nc1)[*:1] C=CCOc1ccccc1/C=C(/C#N)[*:1]
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2cc(Br)cn2)c[nH]1 Brc1cnn(c1)[*:1] O=C([O-])c1cc(c[nH]1)S(=O)(=O)[N-]c1ccccc1[*:1]
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2cc(Br)cn2)c[nH]1 O=C([O-])[*:1] O=S(=O)([N-]c1ccccc1-n1cc(Br)cn1)c1c[nH]c(c1)[*:1]
COCC[C@]1(O)CCN(C(=O)c2cnn(C)c2)C[C@H]1C Cn1cc(cn1)[*:1] COCC[C@]1(O)CCN(C[C@H]1C)C(=O)[*:1]
COCC[C@]1(O)CCN(C(=O)c2cnn(C)c2)C[C@H]1C COC[*:1] C[C@@H]1CN(CC[C@@]1(O)C[*:1])C(=O)c1cnn(C)c1
COCC[C@]1(O)CCN(C(=O)c2cnn(C)c2)C[C@H]1C COCC[*:1] C[C@@H]1CN(CC[C@]1(O)[*:1])C(=O)c1cnn(C)c1
COc1ccccc1N1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2)C1=O CC(=O)N[*:1] COc1ccccc1N1CCN(CC(=O)Nc2ccc(cc2)[*:1])C1=O
COc1ccccc1N1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2)C1=O COc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CN1CCN(C1=O)[*:1]
Cc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccc(C)c(Cl)c2)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(cc1Cl)NC(=O)Cn1c2ncccc2c(=O)n1[*:1]
Cc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccc(C)c(Cl)c2)cc1C Cc1ccc(cc1Cl)[*:1] Cc1ccc(cc1C)-n1c(=O)c2cccnc2n1CC(=O)N[*:1]
CC[C@H]1c2cccn2CCN1C(=O)CCc1ccc(=O)[nH]n1 O=c1ccc(n[nH]1)[*:1] CC[C@H]1c2cccn2CCN1C(=O)CC[*:1]
CC(C)CN(C)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 CC(C)[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)-c1nnc2CCCn21
CC(C)CN(C)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 CC(C)C[*:1] CN(C(=O)Nc1cccc(c1)-c1nnc2CCCn21)[*:1]
CCn1cc(C(=O)Nc2ccc(C)c(C)c2)c(=O)c2ccc(C)nc21 Cc1ccc(cc1C)[*:1] CCn1cc(C(=O)N[*:1])c(=O)c2ccc(C)nc21
CCSCc1noc(C2(C(=O)OC)CC2)n1 CCSC[*:1] COC(=O)C1(CC1)c1nc(no1)[*:1]
CCSCc1noc(C2(C(=O)OC)CC2)n1 COC(=O)[*:1] CCSCc1noc(n1)C1(CC1)[*:1]
CCSCc1noc(C2(C(=O)OC)CC2)n1 CCS[*:1] COC(=O)C1(CC1)c1nc(C[*:1])no1
O=C(c1cncc(N2CCCn3c[nH+]cc3C2)n1)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1ncc(nc1N1CCCn2c[nH+]cc2C1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCC1(C)CCCC1 CC1(CCCC1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NC[*:1]
Cc1cnc(NC(=O)CCC(C)C)s1 CC(C)C[*:1] Cc1cnc(NC(=O)C[*:1])s1
Cc1cnc(NC(=O)CCC(C)C)s1 CC(C)[*:1] Cc1cnc(NC(=O)CC[*:1])s1
CCn1cc(C(=O)NCC2CCN(C(=O)c3cccn(C)c3=O)CC2)c(=O)c2ccc(C)nc21 Cn1cccc(c1=O)[*:1] CCn1cc(C(=O)NCC2CCN(CC2)C(=O)[*:1])c(=O)c2ccc(C)nc21
CC(C)c1ocnc1C(=O)OC[C@H]1COC(C)(C)O1 CC(C)[*:1] CC1(C)OC[C@H](COC(=O)c2ncoc2[*:1])O1
CCC(C)(C)NC(=O)c1ccc(NCC(=O)OC)cc1Cl COC(=O)[*:1] CCC(C)(C)NC(=O)c1ccc(cc1Cl)NC[*:1]
CCC(C)(C)NC(=O)c1ccc(NCC(=O)OC)cc1Cl CCC(C)(C)[*:1] COC(=O)CNc1ccc(C(=O)N[*:1])c(Cl)c1
CCC(C)(C)NC(=O)c1ccc(NCC(=O)OC)cc1Cl COC(=O)C[*:1] CCC(C)(C)NC(=O)c1ccc(cc1Cl)N[*:1]
CCC(C)(C)NC(=O)c1ccc(NCC(=O)OC)cc1Cl COC(=O)CN[*:1] CCC(C)(C)NC(=O)c1ccc(cc1Cl)[*:1]
Cc1csc(=O)n1CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)O C[C@@H](O)[*:1] Cc1csc(=O)n1CC(=O)N[C@@H](C(=O)[O-])[*:1]
Cc1csc(=O)n1CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)O O=C([O-])[*:1] Cc1csc(=O)n1CC(=O)N[C@@H]([C@@H](C)O)[*:1]
COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc(-c2nc3ccccc3s2)c(O)c1
COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1[N+](=O)[O-] c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(c(O)c1)[*:1]
COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@@]1(C)O Clc1ccc(cc1)[*:1] COC(=O)[C@H]1[C@@H](c2c(O)n[nH]c2C[C@@]1(C)O)[*:1]
COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)c2c(O)n[nH]c2C[C@@]1(C)O COC(=O)[*:1] C[C@@]1(O)Cc2[nH]nc(O)c2[C@H](c2ccc(Cl)cc2)[C@@H]1[*:1]
O=C(NCc1ccncc1)c1ccc(N2CCOCC2)cc1 c1cc(ccn1)[*:1] O=C(NC[*:1])c1ccc(cc1)N1CCOCC1
O=C(NCc1ccncc1)c1ccc(N2CCOCC2)cc1 c1cc(ccn1)C[*:1] O=C(N[*:1])c1ccc(cc1)N1CCOCC1
O=C(NCc1ccncc1)c1ccc(N2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(NCc1ccncc1)c1ccc(cc1)[*:1]
O=C(OC[C@@H]1CCCO1)c1ccccc1F C1CO[C@@H](C1)[*:1] O=C(OC[*:1])c1ccccc1F
CCSc1cnn(-c2ccccc2F)c1N CCS[*:1] Nc1c(cnn1-c1ccccc1F)[*:1]
CCOc1cccc2c1OCC(C(=O)NCC(=O)Nc1cc(C)ccc1OC)=C2 CCO[*:1] COc1ccc(C)cc1NC(=O)CNC(=O)C1=Cc2cccc(c2OC1)[*:1]
CCOc1cccc2c1OCC(C(=O)NCC(=O)Nc1cc(C)ccc1OC)=C2 COc1ccc(C)cc1[*:1] CCOc1cccc2C=C(COc21)C(=O)NCC(=O)N[*:1]
O=C(Nc1ccccc1Cl)N1CCc2ccc([N+](=O)[O-])cc2C1 Clc1ccccc1[*:1] O=C(N[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
O=C(Nc1ccccc1Cl)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1Cl)N1CCc2ccc(cc2C1)[*:1]
COCc1nc2cc(NC(=O)Nc3cccc4ccccc34)ccc2o1 COC[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])Nc1cccc2ccccc12
O=[N+]([O-])c1cccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1c(ncnc1N1CCCCCC1)Nc1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])c1 C1CCCN(CC1)[*:1] O=[N+]([O-])c1cccc(c1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
O=[N+]([O-])c1cccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cccc(c1)Nc1ncnc(c1[*:1])N1CCCCCC1
CC(=O)N[C@H](C)c1ccc(C(=O)COC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](C)c1ccc(cc1)C(=O)COC(=O)[*:1]
CC(=O)N[C@H](C)c1ccc(C(=O)COC(=O)c2ccc(C)cc2)cc1 CC(=O)N[*:1] Cc1ccc(cc1)C(=O)OCC(=O)c1ccc(cc1)[C@@H](C)[*:1]
CC(=O)N[C@H](C)c1ccc(C(=O)COC(=O)c2ccc(C)cc2)cc1 CC(=O)N[C@H](C)[*:1] Cc1ccc(cc1)C(=O)OCC(=O)c1ccc(cc1)[*:1]
O=C([O-])c1ccc(CN(CC(F)(F)F)C2CC2)nc1 C1CC1[*:1] O=C([O-])c1ccc(CN(CC(F)(F)F)[*:1])nc1
O=C([O-])c1ccc(CN(CC(F)(F)F)C2CC2)nc1 O=C([O-])[*:1] FC(F)(F)CN(Cc1ccc(cn1)[*:1])C1CC1
O=C([O-])c1ccc(CN(CC(F)(F)F)C2CC2)nc1 FC(F)(F)[*:1] O=C([O-])c1ccc(CN(C[*:1])C2CC2)nc1
O=C([O-])c1ccc(CN(CC(F)(F)F)C2CC2)nc1 FC(F)(F)C[*:1] O=C([O-])c1ccc(CN(C2CC2)[*:1])nc1
Cn1c(C2CC2)nc2cc(NC(=O)C(=O)N3CC[C@](C)(O)C3)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)N1CC[C@](C)(O)C1)[*:1]
COc1ccc(C(=O)C2CCN(C(=O)N[C@@H]3CC=CCC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H]1CC=CCC1)N1CCC(CC1)C(=O)[*:1]
Cc1cc(C)c(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)c(=O)[nH]1 CC(C)O[*:1] Cc1cc(C)c(C(=O)N[C@@H](C)CCc2ccc(cc2)[*:1])c(=O)[nH]1
Cc1cc(C)c(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)c(=O)[nH]1 CC(C)[*:1] Cc1cc(C)c(C(=O)N[C@@H](C)CCc2ccc(cc2)O[*:1])c(=O)[nH]1
Cc1c(S(=O)(=O)N2CCCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)n1C O=S(=O)(N1CCCC1)[*:1] Cc1c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)n1C)[*:1]
Cc1c(S(=O)(=O)N2CCCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)n1C Clc1ccc(cc1)[*:1] Cc1c(cc(-c2nc(cs2)[*:1])n1C)S(=O)(=O)N1CCCC1
COc1cc2[nH]c3c(SCC(=O)Nc4cccc(C)c4C)ncnc3c2cc1OC Cc1cccc(c1C)[*:1] COc1cc2[nH]c3c(ncnc3c2cc1OC)SCC(=O)N[*:1]
Cc1cc(C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
O=C(CCn1cnc2ccccc21)N1CCO[C@H](c2nc(-c3ccncc3)no2)C1 c1cc(ccn1)[*:1] O=C(CCn1cnc2ccccc21)N1CCO[C@@H](C1)c1nc(no1)[*:1]
O=C(CCn1cnc2ccccc21)N1CCO[C@H](c2nc(-c3ccncc3)no2)C1 c1ccc2c(c1)ncn2C[*:1] O=C(C[*:1])N1CCO[C@@H](C1)c1nc(no1)-c1ccncc1
O=C(CCn1cnc2ccccc21)N1CCO[C@H](c2nc(-c3ccncc3)no2)C1 c1ccc2c(c1)ncn2[*:1] O=C(CC[*:1])N1CCO[C@@H](C1)c1nc(no1)-c1ccncc1
CCn1cc(C(=O)/C=C/c2ccc(OC)c(Cn3cccn3)c2)c(C)n1 c1cnn(c1)[*:1] CCn1cc(C(=O)/C=C/c2ccc(OC)c(c2)C[*:1])c(C)n1
CCn1cc(C(=O)/C=C/c2ccc(OC)c(Cn3cccn3)c2)c(C)n1 c1cnn(c1)C[*:1] CCn1cc(C(=O)/C=C/c2ccc(OC)c(c2)[*:1])c(C)n1
CCn1cc(C(=O)/C=C/c2ccc(OC)c(Cn3cccn3)c2)c(C)n1 CCn1cc(c(C)n1)[*:1] COc1ccc(/C=C/C(=O)[*:1])cc1Cn1cccn1
CCn1nc(C(C)C)cc1C(=O)N[C@@H](Cc1ccccc1)C1CC1 CC(C)[*:1] CCn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C1CC1)[*:1]
CCn1nc(C(C)C)cc1C(=O)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] CCn1nc(cc1C(=O)N[C@@H](C1CC1)[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] CCn1nc(cc1C(=O)N[C@@H](C[*:1])C1CC1)C(C)C
CCn1nc(C(C)C)cc1C(=O)N[C@@H](Cc1ccccc1)C1CC1 C1CC1[*:1] CCn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)[*:1])C(C)C
O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1c(-c3cccs3)ccc(=O)n1C2 c1csc(c1)[*:1] O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1c(ccc(=O)n1C2)[*:1]
O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1c(-c3cccs3)ccc(=O)n1C2 c1ccc(cc1)[*:1] O=C(N[*:1])N1C[C@@H]2C[C@H](C1)c1c(ccc(=O)n1C2)-c1cccs1
OCC1(CSCc2noc(-c3ccc(Cl)cc3)n2)COC1 Clc1ccc(cc1)[*:1] OCC1(COC1)CSCc1noc(n1)[*:1]
OCC1(CSCc2noc(-c3ccc(Cl)cc3)n2)COC1 OCC1(COC1)C[*:1] Clc1ccc(cc1)-c1nc(CS[*:1])no1
OCC1(CSCc2noc(-c3ccc(Cl)cc3)n2)COC1 OCC1(COC1)[*:1] Clc1ccc(cc1)-c1nc(CSC[*:1])no1
CC(C)[C@H](NC(=O)N1CCCC1)C(N)=[NH2+] NC(=[NH2+])[*:1] CC(C)[C@H](NC(=O)N1CCCC1)[*:1]
CC(C)[C@H](NC(=O)N1CCCC1)C(N)=[NH2+] CC(C)[*:1] NC(=[NH2+])[C@@H](NC(=O)N1CCCC1)[*:1]
CC(C)(C)Oc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CC[NH+](CC1)C[C@@H]1CCOC1
CC(C)(C)Oc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 CC(C)(C)O[*:1] O=C(Nc1ccc(cc1)[*:1])N1CC[NH+](CC1)C[C@@H]1CCOC1
Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)[*:1]
Cc1cccc(CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 Cc1cccc(c1)[*:1] C1CCC2(CC1)C[C@@H](CCO2)[NH2+]CC[*:1]
C[C@H](SC1CCCCC1)C(=O)N(C)CC(=O)NC1CC1 C1CCC(CC1)[*:1] C[C@H](S[*:1])C(=O)N(C)CC(=O)NC1CC1
C[C@H](SC1CCCCC1)C(=O)N(C)CC(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@H](SC1CCCCC1)C(=O)N(C)C[*:1]
C[C@H](SC1CCCCC1)C(=O)N(C)CC(=O)NC1CC1 C1CC1[*:1] C[C@H](SC1CCCCC1)C(=O)N(C)CC(=O)N[*:1]
CC(=O)NCC(=O)N1CCC[C@H](C(=O)c2ccc(C(C)(C)C)cc2)C1 CC(=O)N[*:1] CC(C)(C)c1ccc(cc1)C(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
CC(=O)NCC(=O)N1CCC[C@H](C(=O)c2ccc(C(C)(C)C)cc2)C1 CC(C)(C)[*:1] CC(=O)NCC(=O)N1CCC[C@@H](C1)C(=O)c1ccc(cc1)[*:1]
CC(=O)NCC(=O)N1CCC[C@H](C(=O)c2ccc(C(C)(C)C)cc2)C1 CC(=O)NC[*:1] CC(C)(C)c1ccc(cc1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
c1cn2ccc(C3CC3)nc2n1 C1CC1[*:1] c1cn2ccc(nc2n1)[*:1]
Cc1cc(Cl)ccc1OCCCNC(=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] Cc1cc(Cl)ccc1OCCCNC(=O)N1CCN(CC1)[*:1]
Cc1cc(Cl)ccc1OCCCNC(=O)N1CCN(c2nccs2)CC1 Cc1cc(Cl)ccc1[*:1] O=C(NCCCO[*:1])N1CCN(CC1)c1nccs1
CCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCN(C(=O)/C=C/c1cn(nc1[*:1])-c1ccccc1)[C@@H]1CCS(=O)(=O)C1
CCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCN(C(=O)/C=C/c1cn(nc1-c1ccccc1)[*:1])[C@@H]1CCS(=O)(=O)C1
C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(N2CCCCC2)cc1C(N)=O C1CCN(CC1)[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(cc1C(N)=O)[*:1]
C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(N2CCCCC2)cc1C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(cc1[*:1])N1CCCCC1
C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(N2CCCCC2)cc1C(N)=O c1cc(co1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1ccc(cc1C(N)=O)N1CCCCC1
C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(N2CCCCC2)cc1C(N)=O O=C(N[*:1])c1ccoc1 C[C@@H](C(=O)Nc1ccc(cc1C(N)=O)N1CCCCC1)[*:1]
CCN1CCO[C@H](c2noc(C[C@H]([NH3+])C(C)C)n2)C1 CC(C)[*:1] CCN1CCO[C@@H](C1)c1noc(C[C@H]([NH3+])[*:1])n1
O=C(c1cccnc1)N1CCN(CC2=c3ccccc3=[NH+]C2)CC1 c1cncc(c1)[*:1] O=C(N1CCN(CC1)CC1C[NH+]=c2ccccc2=1)[*:1]
N#CCOc1cccc(CC(=O)Nc2cc(C(N)=O)ccc2Cl)c1 N#CCO[*:1] NC(=O)c1ccc(Cl)c(c1)NC(=O)Cc1cccc(c1)[*:1]
N#CCOc1cccc(CC(=O)Nc2cc(C(N)=O)ccc2Cl)c1 N#CC[*:1] NC(=O)c1ccc(Cl)c(c1)NC(=O)Cc1cccc(c1)O[*:1]
N#CCOc1cccc(CC(=O)Nc2cc(C(N)=O)ccc2Cl)c1 NC(=O)[*:1] N#CCOc1cccc(c1)CC(=O)Nc1cc(ccc1Cl)[*:1]
C[C@H](Sc1nc2ncccc2o1)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1nc2ncccc2o1)C(=O)N[*:1]
CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccccc1 CC[C@@H](C)[*:1] O=C1c2ccccc2N[C@@H](c2ccccc2)N1[*:1]
CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1[*:1]
CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1 CC(C)[*:1] C[C@H]([NH2+]CC(=O)NC[*:1])c1ccc(F)cc1
CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1 CC(C)C[*:1] C[C@H]([NH2+]CC(=O)N[*:1])c1ccc(F)cc1
CCOC(=O)c1ccc(N[C@@H]2CCCN(c3ncccn3)C2)nc1 c1cnc(nc1)[*:1] CCOC(=O)c1ccc(nc1)N[C@@H]1CCCN(C1)[*:1]
CCOC(=O)c1ccc(N[C@@H]2CCCN(c3ncccn3)C2)nc1 CCOC(=O)[*:1] c1cnc(nc1)N1CCC[C@H](C1)Nc1ccc(cn1)[*:1]
C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccnc(N(C)C)n1 c1csc(c1)C[*:1] C[C@H](C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccnc(n1)N(C)C)[*:1]
C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccnc(N(C)C)n1 C[C@H](Cc1cccs1)[*:1] CN(C)c1nccc(n1)-c1c[nH]nc1[C@H]1CCCN1C(=O)[*:1]
C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccnc(N(C)C)n1 CN(C)c1nccc(n1)[*:1] C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H]1c1n[nH]cc1[*:1]
C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccnc(N(C)C)n1 c1csc(c1)[*:1] C[C@H](C[*:1])C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccnc(n1)N(C)C
C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccnc(N(C)C)n1 CN(C)[*:1] C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccnc(n1)[*:1]
Cc1noc(C)c1CCC(=O)Nc1cccc[n+]1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1CCC(=O)Nc1cccc[n+]1C[*:1]
Cc1noc(C)c1CCC(=O)Nc1cccc[n+]1Cc1ccccc1 Cc1noc(C)c1[*:1] O=C(CC[*:1])Nc1cccc[n+]1Cc1ccccc1
Cc1noc(C)c1CCC(=O)Nc1cccc[n+]1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1noc(C)c1CCC(=O)Nc1cccc[n+]1[*:1]
Cc1noc(C)c1CCC(=O)Nc1cccc[n+]1Cc1ccccc1 Cc1noc(C)c1C[*:1] O=C(C[*:1])Nc1cccc[n+]1Cc1ccccc1
CCOc1ccc(C(=O)NCc2nn(C)c3ccccc23)cc1 CCO[*:1] Cn1nc(CNC(=O)c2ccc(cc2)[*:1])c2ccccc21
CCc1nc(C)c([C@H](C)N[C@@H](C)[C@H](O)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCc1nc(C)c(s1)[C@H](C)N[C@@H](C)[C@H](O)[*:1]
CN(CCCNC(=O)N[C@@H]1C=C[C@H](CO)C1)C(=O)C1CCC1 C1CC(C1)[*:1] CN(CCCNC(=O)N[C@@H]1C=C[C@H](CO)C1)C(=O)[*:1]
COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(Cl)c1OC O=C(Nc1ccccc1)[*:1] COc1cc(cc(Cl)c1OC)[C@H]1C(=C(C)Nc2ncnn21)[*:1]
COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(Cl)c1OC c1ccc(cc1)[*:1] COc1cc(cc(Cl)c1OC)[C@H]1C(C(=O)N[*:1])=C(C)Nc2ncnn21
CSc1ccccc1Oc1cncc(C[NH2+]CC(C)C)n1 CC(C)C[*:1] CSc1ccccc1Oc1cncc(C[NH2+][*:1])n1
CSc1ccccc1Oc1cncc(C[NH2+]CC(C)C)n1 CC(C)[*:1] CSc1ccccc1Oc1cncc(C[NH2+]C[*:1])n1
NC(=O)C[NH+]1CCC(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)c1c[nH]nc1[*:1]
NC(=O)C[NH+]1CCC(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 NC(=O)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1c[nH]nc1-c1ccc(F)cc1
NC(=O)C[NH+]1CCC(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 NC(=O)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1c[nH]nc1-c1ccc(F)cc1
C[C@@H]1CCC[C@H](NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)C1 FC(F)(F)[*:1] C[C@@H]1CCC[C@@H](C1)NC(=O)N(C)Cc1nc(cs1)[*:1]
C[C@@H]1CCC[C@H](NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)C1 C[C@@H]1CCC[C@H](C1)[*:1] CN(Cc1nc(cs1)C(F)(F)F)C(=O)N[*:1]
O=C(Cc1ccc(O)cc1Cl)Nc1ccc(CN2CCOCC2)cn1 C1CN(CCO1)C[*:1] O=C(Cc1ccc(O)cc1Cl)Nc1ccc(cn1)[*:1]
O=C(Cc1ccc(O)cc1Cl)Nc1ccc(CN2CCOCC2)cn1 Oc1ccc(c(Cl)c1)[*:1] O=C(C[*:1])Nc1ccc(cn1)CN1CCOCC1
O=C(Cc1ccc(O)cc1Cl)Nc1ccc(CN2CCOCC2)cn1 C1CN(CCO1)[*:1] O=C(Cc1ccc(O)cc1Cl)Nc1ccc(cn1)C[*:1]
Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCC1=CCCCC1 Clc1ccc(nc1)N[*:1] Cc1nc(sc1C(=O)NCCC1=CCCCC1)[*:1]
Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCC1=CCCCC1 Clc1ccc(nc1)[*:1] Cc1nc(N[*:1])sc1C(=O)NCCC1=CCCCC1
CCCCCC1CCC(C(=O)NN)CC1 CCCCC[*:1] NNC(=O)C1CCC(CC1)[*:1]
CCCCCC1CCC(C(=O)NN)CC1 CCCC[*:1] NNC(=O)C1CCC(CC1)C[*:1]
CCCCCC1CCC(C(=O)NN)CC1 NNC(=O)[*:1] CCCCCC1CCC(CC1)[*:1]
CCCCCC1CCC(C(=O)NN)CC1 CCC[*:1] NNC(=O)C1CCC(CC1)CC[*:1]
CC[NH+]1CCN([C@@H]2CC[C@@](CO)([NH2+]C3CC3)C2)CC1 C1CC1[*:1] CC[NH+]1CCN(CC1)[C@@H]1CC[C@](CO)(C1)[NH2+][*:1]
CC[C@@](O)(Cc1nc2ccccc2n1C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@](O)(Cc1nc2ccccc2n1C)[*:1]
CCc1n[n-]c([S@@](=O)CC(=O)N[C@H](C)C(C)C)n1 CC(C)[C@@H](C)[*:1] CCc1n[n-]c(n1)[S@@](=O)CC(=O)N[*:1]
CCc1n[n-]c([S@@](=O)CC(=O)N[C@H](C)C(C)C)n1 CC(C)[*:1] CCc1n[n-]c(n1)[S@@](=O)CC(=O)N[C@H](C)[*:1]
CCCCCN[C@H]1[NH+]=c2ccccc2=N/C1=N\S(=O)(=O)c1ccc(F)cc1 CCCC[*:1] O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@@H]1NC[*:1])c1ccc(F)cc1
CCCCCN[C@H]1[NH+]=c2ccccc2=N/C1=N\S(=O)(=O)c1ccc(F)cc1 CCC[*:1] O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@@H]1NCC[*:1])c1ccc(F)cc1
CCCCCN[C@H]1[NH+]=c2ccccc2=N/C1=N\S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCCCN[C@H]1[NH+]=c2ccccc2=N/C1=N\S(=O)(=O)[*:1]
CCCCCN[C@H]1[NH+]=c2ccccc2=N/C1=N\S(=O)(=O)c1ccc(F)cc1 CCCCCN[*:1] O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@@H]1[*:1])c1ccc(F)cc1
CCCCCN[C@H]1[NH+]=c2ccccc2=N/C1=N\S(=O)(=O)c1ccc(F)cc1 CCCCC[*:1] O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@@H]1N[*:1])c1ccc(F)cc1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1Cl COCC[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(Cl)cc1Cl
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@@H]1[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1Cl COCCC[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(Cl)cc1Cl)[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1Cl Cc1ccc(cc1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(Cl)cc1Cl
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1Cl COC[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccc(Cl)cc1Cl
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1Cl Cc1ccc(cc1)C(=O)[*:1] COCCCN1C(=O)C([O-])=C([C@H]1c1ccc(Cl)cc1Cl)[*:1]
Cc1nc(NCCCc2nnc(N)s2)c2nc(C)oc2n1 Nc1nnc(C[*:1])s1 Cc1nc(NCC[*:1])c2nc(C)oc2n1
Cc1nc(NCCCc2nnc(N)s2)c2nc(C)oc2n1 Nc1nnc(s1)[*:1] Cc1nc(NCCC[*:1])c2nc(C)oc2n1
Cc1cc(C(=O)N[C@@H](C)C(=O)[O-])cc(C)c1OC(F)F O=C([O-])[*:1] Cc1cc(cc(C)c1OC(F)F)C(=O)N[C@@H](C)[*:1]
Cc1cc(C(=O)N[C@@H](C)C(=O)[O-])cc(C)c1OC(F)F FC(F)[*:1] Cc1cc(cc(C)c1O[*:1])C(=O)N[C@@H](C)C(=O)[O-]
Cc1cc(C(=O)N[C@@H](C)C(=O)[O-])cc(C)c1OC(F)F FC(F)O[*:1] Cc1cc(cc(C)c1[*:1])C(=O)N[C@@H](C)C(=O)[O-]
CC(C)(CCC#N)CNc1cccc(NC(=O)c2ccoc2)c1 CC(C)(CCC#N)[*:1] O=C(Nc1cccc(c1)NC[*:1])c1ccoc1
CC(C)(CCC#N)CNc1cccc(NC(=O)c2ccoc2)c1 N#CCC[*:1] CC(C)(CNc1cccc(c1)NC(=O)c1ccoc1)[*:1]
CC(C)(CCC#N)CNc1cccc(NC(=O)c2ccoc2)c1 c1cc(co1)[*:1] CC(C)(CCC#N)CNc1cccc(c1)NC(=O)[*:1]
CC(C)(CCC#N)CNc1cccc(NC(=O)c2ccoc2)c1 N#CC[*:1] CC(C)(CNc1cccc(c1)NC(=O)c1ccoc1)C[*:1]
C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 C[C@@H]1CCC[C@H](C1)[*:1] CN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)[*:1]
C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)[C@@H]1CCCC[C@H]1[*:1]
COc1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)[*:1]
COc1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)NC[C@H](N1CCOCC1)[*:1]
Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)NC(c3ccccc3)c3ccccc3)n2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)n1nc(ccc1=O)[*:1]
Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)NC(c3ccccc3)c3ccccc3)n2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(n1)[C@@H](C)C(=O)NC(c1ccccc1)[*:1]
O=C1CN(C(=O)CN(CCCO)c2ccccc2)c2ccccc2N1 OCCC[*:1] O=C1CN(C(=O)CN(c2ccccc2)[*:1])c2ccccc2N1
O=C1CN(C(=O)CN(CCCO)c2ccccc2)c2ccccc2N1 OCC[*:1] O=C1CN(C(=O)CN(C[*:1])c2ccccc2)c2ccccc2N1
O=C1CN(C(=O)CN(CCCO)c2ccccc2)c2ccccc2N1 c1ccc(cc1)[*:1] O=C1CN(C(=O)CN(CCCO)[*:1])c2ccccc2N1
COC(=O)c1ccc2c(=O)nc(CN3CCc4sccc4[C@H]3c3cccs3)[nH]c2c1 COC(=O)[*:1] O=c1nc(CN2CCc3sccc3[C@H]2c2cccs2)[nH]c2cc(ccc12)[*:1]
COC(=O)c1ccc2c(=O)nc(CN3CCc4sccc4[C@H]3c3cccs3)[nH]c2c1 c1csc(c1)[*:1] COC(=O)c1ccc2c(=O)nc(CN3CCc4sccc4[C@@H]3[*:1])[nH]c2c1
COCCCN1C(=O)c2cccc(N3CC[NH+](Cc4ccc5c(c4)Cc4ccccc4-5)CC3)c2C1=O COCC[*:1] O=C1c2cccc(c2C(=O)N1C[*:1])N1CC[NH+](CC1)Cc1ccc2c(c1)Cc1ccccc1-2
COCCCN1C(=O)c2cccc(N3CC[NH+](Cc4ccc5c(c4)Cc4ccccc4-5)CC3)c2C1=O COCCC[*:1] O=C1c2cccc(c2C(=O)N1[*:1])N1CC[NH+](CC1)Cc1ccc2c(c1)Cc1ccccc1-2
COCCCN1C(=O)c2cccc(N3CC[NH+](Cc4ccc5c(c4)Cc4ccccc4-5)CC3)c2C1=O COC[*:1] O=C1c2cccc(c2C(=O)N1CC[*:1])N1CC[NH+](CC1)Cc1ccc2c(c1)Cc1ccccc1-2
C[C@H](CCC1CCCC1)NC(=O)Nc1ccc(CN2CCCC2=O)cc1 C1CCC(C1)C[*:1] C[C@H](C[*:1])NC(=O)Nc1ccc(cc1)CN1CCCC1=O
C[C@H](CCC1CCCC1)NC(=O)Nc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@H](CCC1CCCC1)NC(=O)Nc1ccc(cc1)C[*:1]
C[C@H](CCC1CCCC1)NC(=O)Nc1ccc(CN2CCCC2=O)cc1 C1CCC(C1)[*:1] C[C@H](CC[*:1])NC(=O)Nc1ccc(cc1)CN1CCCC1=O
C[C@H](CCC1CCCC1)NC(=O)Nc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] C[C@H](CCC1CCCC1)NC(=O)Nc1ccc(cc1)[*:1]
C[C@H](CCC1CCCC1)NC(=O)Nc1ccc(CN2CCCC2=O)cc1 C1CCC(C1)CC[*:1] C[C@H](NC(=O)Nc1ccc(cc1)CN1CCCC1=O)[*:1]
C[C@@](O)(CNC(=O)c1cc(C2CC2)on1)c1ccc(F)cc1 C1CC1[*:1] C[C@@](O)(CNC(=O)c1cc(on1)[*:1])c1ccc(F)cc1
C[C@@](O)(CNC(=O)c1cc(C2CC2)on1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)c1cc(on1)C1CC1)[*:1]
CC(C)Cc1nc(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)no1 Clc1ccc(cc1)[*:1] CC(C)Cc1nc(CN2CCc3onc(c3C2)[*:1])no1
CC(C)Cc1nc(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)no1 CC(C)[*:1] Clc1ccc(cc1)-c1noc2CCN(Cc3noc(C[*:1])n3)Cc12
CC(C)Cc1nc(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)no1 CC(C)C[*:1] Clc1ccc(cc1)-c1noc2CCN(Cc3noc(n3)[*:1])Cc12
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NCc2ccc(Cl)cc2)cn1 Clc1ccc(cc1)[*:1] CS(=O)(=O)c1ccccc1-n1cc(cn1)NC(=O)NC[*:1]
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NCc2ccc(Cl)cc2)cn1 Clc1ccc(cc1)C[*:1] CS(=O)(=O)c1ccccc1-n1cc(cn1)NC(=O)N[*:1]
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NCc2ccc(Cl)cc2)cn1 CS(=O)(=O)[*:1] O=C(NCc1ccc(Cl)cc1)Nc1cnn(c1)-c1ccccc1[*:1]
COc1cccc([C@H](CO)NC(=O)CCc2ccncc2)c1 c1cc(ccn1)C[*:1] COc1cccc(c1)[C@H](CO)NC(=O)C[*:1]
COc1cccc([C@H](CO)NC(=O)CCc2ccncc2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)[C@H](CO)NC(=O)CC[*:1]
CCCNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc12 CCC[*:1] Cc1ccc(cc1C)NC(=O)Cn1c(=O)cc(C(=O)N[*:1])c2ccccc21
CCCNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc12 CCCNC(=O)[*:1] Cc1ccc(cc1C)NC(=O)Cn1c(=O)cc(c2ccccc21)[*:1]
CCCNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc12 Cc1ccc(cc1C)[*:1] CCCNC(=O)c1cc(=O)n(CC(=O)N[*:1])c2ccccc12
Cc1ccc(S(=O)(=O)/N=C(\[O-])N[C@@H]2CCCC[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCCC[C@H]1N/C([O-])=N/S(=O)(=O)[*:1]
C#CCC[C@@H]([NH2+]CC)[C@H]1CN(CCC)CCO1 C#CC[*:1] CCCN1CCO[C@H](C1)[C@@H](C[*:1])[NH2+]CC
C#CCC[C@@H]([NH2+]CC)[C@H]1CN(CCC)CCO1 C#CCC[*:1] CCCN1CCO[C@H](C1)[C@H]([NH2+]CC)[*:1]
C#CCC[C@@H]([NH2+]CC)[C@H]1CN(CCC)CCO1 CCC[*:1] C#CCC[C@@H]([NH2+]CC)[C@H]1CN(CCO1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1cncn1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CNC(=O)Cn1cncn1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1cncn1 c1ncn(C[*:1])n1 Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1cncn1 c1ncn(n1)[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1cncn1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)Cn1cncn1
CC(C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C1CCOCC1 C1CC(CCO1)[*:1] CC(C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1[*:1]
CC(C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C1CCOCC1 CC(C)[*:1] O=C1[C@H]2CCCCN2C(=O)[C@@H](N1C1CCOCC1)[*:1]
COc1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c(OC)c1 c1ccc2sc(nc2c1)[*:1] COc1ccc(C(=O)N2CCN(CC2)[*:1])c(c1)OC
C[NH2+][C@H](CC[C@H]1CCC[C@H](S(C)(=O)=O)C1)C1CC1 C1CC1[*:1] C[NH2+][C@H](CC[C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
C[NH2+][C@H](CC[C@H]1CCC[C@H](S(C)(=O)=O)C1)C1CC1 CS(=O)(=O)[*:1] C[NH2+][C@H](CC[C@H]1CCC[C@H](C1)[*:1])C1CC1
CCCCCC(C)(C)C(=O)N1CCC2(CC1)OCCO2 CCCC[*:1] CC(C)(C[*:1])C(=O)N1CCC2(CC1)OCCO2
CCCCCC(C)(C)C(=O)N1CCC2(CC1)OCCO2 CCC[*:1] CC(C)(CC[*:1])C(=O)N1CCC2(CC1)OCCO2
CCCCCC(C)(C)C(=O)N1CCC2(CC1)OCCO2 CCCCC[*:1] CC(C)(C(=O)N1CCC2(CC1)OCCO2)[*:1]
CN(CC1=C[C@H](c2cccs2)N=N1)Cc1cnc(N)nc1 Nc1ncc(cn1)[*:1] CN(CC1=C[C@@H](N=N1)c1cccs1)C[*:1]
CN(CC1=C[C@H](c2cccs2)N=N1)Cc1cnc(N)nc1 c1csc(c1)[*:1] CN(CC1=C[C@H](N=N1)[*:1])Cc1cnc(N)nc1
CNC(=O)Cn1ccc2ccc(NC(=O)CO[C@@H]3CCC[C@H](C)C3)cc21 CNC(=O)C[*:1] C[C@H]1CCC[C@H](C1)OCC(=O)Nc1ccc2ccn(c2c1)[*:1]
CNC(=O)Cn1ccc2ccc(NC(=O)CO[C@@H]3CCC[C@H](C)C3)cc21 CNC(=O)[*:1] C[C@H]1CCC[C@H](C1)OCC(=O)Nc1ccc2ccn(C[*:1])c2c1
COc1cc(OC)c(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1Cl COc1cc(OC)c(cc1Cl)[*:1] O=C(Nc1ccc(cc1)OCc1cc(=O)n2ccccc2n1)N[*:1]
COc1cc(OC)c(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1Cl O=c1cc(nc2ccccn12)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)Nc1ccc(cc1)OC[*:1]
COC(=O)COc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1I COC(=O)[*:1] Cc1ccc2[nH]c(nc2c1)/C(C#N)=C\c1ccc(OC[*:1])c(I)c1
COC(=O)COc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1I COC(=O)CO[*:1] Cc1ccc2[nH]c(nc2c1)/C(C#N)=C\c1ccc(c(I)c1)[*:1]
COC(=O)COc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1I COC(=O)C[*:1] Cc1ccc2[nH]c(nc2c1)/C(C#N)=C\c1ccc(O[*:1])c(I)c1
CCOC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 CCOC(=O)[C@@H](C)[*:1] C[C@@H]1CCc2c(C1)sc1ncn(c(=O)c21)[*:1]
CCOC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 CCOC(=O)[*:1] C[C@@H]1CCc2c(C1)sc1ncn(c(=O)c21)[C@H](C)[*:1]
O=C(CSc1ccccc1Cl)N1CCN(C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] O=C(CSc1ccccc1Cl)N1CCN(CC1)C[*:1]
O=C(CSc1ccccc1Cl)N1CCN(C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] O=C(CSc1ccccc1Cl)N1CCN(CC1)[*:1]
O=C(CSc1ccccc1Cl)N1CCN(C[C@@H]2CCCO2)CC1 Clc1ccccc1[*:1] O=C(CS[*:1])N1CCN(CC1)C[C@@H]1CCCO1
C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)C1 c1ccc(cc1)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1nc(N)c(c(n1)N1CC[NH+](CC1)[*:1])[N+](=O)[O-]
C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)C1 O=[N+]([O-])[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1nc(N)c(c(n1)N1CC[NH+](CC1)Cc1ccccc1)[*:1]
C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1nc(N)c(c(n1)N1CC[NH+](CC1)C[*:1])[N+](=O)[O-]
CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCC(F)(F)F)c1 FC(F)(F)C[*:1] CN(C)S(=O)(=O)c1c[nH]c(c1)C(=O)N[*:1]
CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCC(F)(F)F)c1 FC(F)(F)[*:1] CN(C)S(=O)(=O)c1c[nH]c(c1)C(=O)NC[*:1]
CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCC(F)(F)F)c1 CN(C)S(=O)(=O)[*:1] O=C(NCC(F)(F)F)c1cc(c[nH]1)[*:1]
COc1cc(C(=O)N[C@H](C)CCCO)cc(OC)c1Br OCC[*:1] COc1cc(cc(OC)c1Br)C(=O)N[C@H](C)C[*:1]
COc1cc(C(=O)N[C@H](C)CCCO)cc(OC)c1Br OCCC[*:1] COc1cc(cc(OC)c1Br)C(=O)N[C@H](C)[*:1]
COc1cc(C(=O)N[C@H](C)CCCO)cc(OC)c1Br C[C@H](CCCO)[*:1] COc1cc(cc(OC)c1Br)C(=O)N[*:1]
CC(C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)s1 NC(=O)[*:1] CC(C)c1nnc(s1)N1CCC(CC1)Oc1ccnc(c1)[*:1]
CC(C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)s1 CC(C)[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)c1nnc(s1)[*:1]
CC(C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)s1 CC(C)c1nnc(s1)[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)[*:1]
C[C@@H]1CCC[C@H](NC(=O)c2cccc(OCn3cc(Cl)cn3)c2)[C@@H]1C Clc1cnn(c1)C[*:1] C[C@@H]1CCC[C@H](NC(=O)c2cccc(c2)O[*:1])[C@@H]1C
C[C@@H]1CCC[C@H](NC(=O)c2cccc(OCn3cc(Cl)cn3)c2)[C@@H]1C Clc1cnn(c1)CO[*:1] C[C@@H]1CCC[C@H](NC(=O)c2cccc(c2)[*:1])[C@@H]1C
C[C@@H]1CCC[C@H](NC(=O)c2cccc(OCn3cc(Cl)cn3)c2)[C@@H]1C Clc1cnn(c1)[*:1] C[C@@H]1CCC[C@H](NC(=O)c2cccc(c2)OC[*:1])[C@@H]1C
COCC(=O)C1(C(=O)OC)CC=CC1 COC(=O)[*:1] COCC(=O)C1(CC=CC1)[*:1]
COCC(=O)C1(C(=O)OC)CC=CC1 COC[*:1] COC(=O)C1(CC=CC1)C(=O)[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccnc(C2CC2)n1)C1CCCCC1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccnc(n1)[*:1])C1CCCCC1
C[NH+](C)[C@@H](CNC(=O)c1ccnc(C2CC2)n1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccnc(n1)C1CC1)[*:1]
Cc1n[nH]c(C(=O)N2CCC(CCC(=O)[O-])CC2)n1 O=C([O-])C[*:1] Cc1n[nH]c(n1)C(=O)N1CCC(CC1)C[*:1]
Cc1n[nH]c(C(=O)N2CCC(CCC(=O)[O-])CC2)n1 Cc1n[nH]c(n1)[*:1] O=C([O-])CCC1CCN(CC1)C(=O)[*:1]
Cc1n[nH]c(C(=O)N2CCC(CCC(=O)[O-])CC2)n1 O=C([O-])CC[*:1] Cc1n[nH]c(n1)C(=O)N1CCC(CC1)[*:1]
Cc1n[nH]c(C(=O)N2CCC(CCC(=O)[O-])CC2)n1 O=C([O-])[*:1] Cc1n[nH]c(n1)C(=O)N1CCC(CC1)CC[*:1]
Cc1nc2ccc(N(C)C(=O)c3cccc(C(=O)N(C)C)c3)cc2s1 CN(C)C(=O)[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)c1cccc(c1)[*:1]
CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc(Cl)c1OC(C)=O CCO[*:1] CC(=O)Oc1c(Cl)cc(/C=C2\N=C(OC2=O)c2ccc(Cl)cc2Cl)cc1[*:1]
CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc(Cl)c1OC(C)=O Clc1ccc(c(Cl)c1)[*:1] CCOc1cc(/C=C2\N=C(OC2=O)[*:1])cc(Cl)c1OC(C)=O
CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc(Cl)c1OC(C)=O CC(=O)O[*:1] CCOc1cc(/C=C2\N=C(OC2=O)c2ccc(Cl)cc2Cl)cc(Cl)c1[*:1]
CCn1c([C@@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)nc2ccccc21 O[C@H](c1ccccc1)[*:1] CCn1c(nc2ccccc21)[C@@H](C)[NH2+]CC1(CC1)[*:1]
CCn1c([C@@H](C)[NH2+]CC2([C@H](O)c3ccccc3)CC2)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(nc2ccccc21)[C@@H](C)[NH2+]CC1(CC1)[C@H](O)[*:1]
COc1ccc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)cc1OC NC(=O)[*:1] COc1ccc(cc1OC)CN1C[C@@H](O[C@H](C)C1)[*:1]
CC[C@@H](C)NC(=O)c1cccc(-c2ccc(N3CCOCC3)[nH+]c2)c1 CC[C@@H](C)NC(=O)[*:1] c1cc(cc(c1)[*:1])-c1ccc([nH+]c1)N1CCOCC1
CC[C@@H](C)NC(=O)c1cccc(-c2ccc(N3CCOCC3)[nH+]c2)c1 CC[C@@H](C)[*:1] O=C(N[*:1])c1cccc(c1)-c1ccc([nH+]c1)N1CCOCC1
CC[C@@H](C)NC(=O)c1cccc(-c2ccc(N3CCOCC3)[nH+]c2)c1 C1CN(CCO1)[*:1] CC[C@@H](C)NC(=O)c1cccc(c1)-c1ccc([nH+]c1)[*:1]
C=C(C)CN1CCN(C(=O)N(CC)CC)CC1 C=C(C)C[*:1] CCN(CC)C(=O)N1CCN(CC1)[*:1]
C=C(C)CN1CCN(C(=O)N(CC)CC)CC1 C=C(C)[*:1] CCN(CC)C(=O)N1CCN(CC1)C[*:1]
CCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)ccc3O)s2)cc1 CCO[*:1] Cc1ccc(O)c(c1)NC(=O)c1sc(nc1C)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)ccc3O)s2)cc1 Cc1ccc(O)c(c1)[*:1] CCOc1ccc(cc1)-c1nc(C)c(s1)C(=O)N[*:1]
CCc1c(C)[nH]c(=S)c(C(N)=O)c1C NC(=O)[*:1] CCc1c(C)[nH]c(=S)c(c1C)[*:1]
CCOC(=O)[C@@]1(N)CC[C@@H](OCC2CCOCC2)C1 CCOC(=O)[*:1] N[C@]1(CC[C@H](C1)OCC1CCOCC1)[*:1]
CCOC(=O)[C@@]1(N)CC[C@@H](OCC2CCOCC2)C1 C1CC(CCO1)[*:1] CCOC(=O)[C@@]1(N)CC[C@H](C1)OC[*:1]
Cc1ccc(C(C)C)c(OCC(=O)Nn2c(=O)[nH]c3ccccc3c2=O)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)Nn1c(=O)[nH]c2ccccc2c1=O)[*:1]
Cc1ccc(C(=O)NO[C@H]2CCCCO2)c(O)c1 C1CC[C@@H](OC1)[*:1] Cc1ccc(C(=O)NO[*:1])c(O)c1
CCc1cc2c(=O)n(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cnc2s1 O=[N+]([O-])[*:1] CCc1cc2c(=O)n(cnc2s1)CC(=O)N1CCc2ccc(cc21)[*:1]
COC[C@H](C)Nc1cc(C(C)C)nc(C(C)C)n1 COC[C@H](C)N[*:1] CC(C)c1cc(nc(n1)C(C)C)[*:1]
COC[C@H](C)Nc1cc(C(C)C)nc(C(C)C)n1 COC[C@H](C)[*:1] CC(C)c1cc(nc(n1)C(C)C)N[*:1]
COC[C@H](C)Nc1cc(C(C)C)nc(C(C)C)n1 COC[*:1] CC(C)c1cc(nc(n1)C(C)C)N[C@@H](C)[*:1]
COC[C@H](C)Nc1cc(C(C)C)nc(C(C)C)n1 CC(C)[*:1] COC[C@H](C)Nc1cc(nc(n1)C(C)C)[*:1]
COC[C@H](C)Nc1cc(C(C)C)nc(C(C)C)n1 CC(C)[*:1] COC[C@H](C)Nc1cc(nc(n1)[*:1])C(C)C
O=C(Cn1nnc(-c2ccccc2)n1)OCc1cc2ccccc2o1 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])OCc1cc2ccccc2o1
CCS(=O)(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 CCS(=O)(=O)[*:1] O=C(COc1ccc(cc1)[N+](=O)[O-])Nc1ccccc1[*:1]
CCS(=O)(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCS(=O)(=O)c1ccccc1NC(=O)COc1ccc(cc1)[*:1]
Cn1c(=O)c2c(nc(SCc3ccc(Cl)cc3Cl)n2C)n(C)c1=O Clc1ccc(c(Cl)c1)[*:1] Cn1c(=O)c2c(nc(SC[*:1])n2C)n(C)c1=O
O=C(OCC(=O)N1CCOCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=C(N1CCOCC1)[*:1] O=C(OC[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(OCC(=O)N1CCOCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=C(C[*:1])N1CCOCC1 O=C(O[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(OCC(=O)N1CCOCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(OCC(=O)N1CCOCC1)c1cccc(c1)[*:1]
Fc1cccc(C[C@H]2CCCN2C(=S)NCc2cccs2)c1 c1csc(c1)[*:1] Fc1cccc(c1)C[C@H]1CCCN1C(=S)NC[*:1]
Fc1cccc(C[C@H]2CCCN2C(=S)NCc2cccs2)c1 c1csc(c1)C[*:1] Fc1cccc(c1)C[C@H]1CCCN1C(=S)N[*:1]
Fc1cccc(C[C@H]2CCCN2C(=S)NCc2cccs2)c1 Fc1cccc(c1)[*:1] S=C(NCc1cccs1)N1CCC[C@@H]1C[*:1]
CC(C)(CNC(=O)c1ccccc1-n1cnnn1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)c1ccccc1-n1cnnn1)[*:1]
CC(C)(CNC(=O)c1ccccc1-n1cnnn1)N1CCOCC1 c1nnnn1[*:1] CC(C)(CNC(=O)c1ccccc1[*:1])N1CCOCC1
CCOc1ccc2c(c1)CN(C(=O)C[C@H]1CCCO1)CC2 CCO[*:1] O=C(C[C@H]1CCCO1)N1CCc2ccc(cc2C1)[*:1]
CCOc1ccc2c(c1)CN(C(=O)C[C@H]1CCCO1)CC2 C1CO[C@H](C1)C[*:1] CCOc1ccc2CCN(Cc2c1)C(=O)[*:1]
CCOc1ccc2c(c1)CN(C(=O)C[C@H]1CCCO1)CC2 C1CO[C@H](C1)[*:1] CCOc1ccc2CCN(Cc2c1)C(=O)C[*:1]
O=C(NCc1ccccc1F)[C@H]1Oc2ccccc2NC1=O Fc1ccccc1[*:1] O=C(NC[*:1])[C@H]1Oc2ccccc2NC1=O
Cn1cnc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cn1cnc(C[NH2+]Cc2cn(nc2-c2ccc(cc2)[*:1])-c2ccccc2)n1
Cn1cnc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])c1ccc(cc1)[*:1] Cn1cnc(C[NH2+]Cc2cn(nc2[*:1])-c2ccccc2)n1
Cn1cnc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 c1ccc(cc1)[*:1] Cn1cnc(C[NH2+]Cc2cn(nc2-c2ccc(cc2)[N+](=O)[O-])[*:1])n1
CS(=O)(=O)N1CCC(c2nn(Cc3c(F)cccc3Cl)c(=O)n2-c2cccs2)CC1 Fc1cccc(Cl)c1C[*:1] CS(=O)(=O)N1CCC(CC1)c1nn(c(=O)n1-c1cccs1)[*:1]
CS(=O)(=O)N1CCC(c2nn(Cc3c(F)cccc3Cl)c(=O)n2-c2cccs2)CC1 Fc1cccc(Cl)c1[*:1] CS(=O)(=O)N1CCC(CC1)c1nn(C[*:1])c(=O)n1-c1cccs1
CS(=O)(=O)N1CCC(c2nn(Cc3c(F)cccc3Cl)c(=O)n2-c2cccs2)CC1 c1csc(c1)[*:1] CS(=O)(=O)N1CCC(CC1)c1nn(Cc2c(F)cccc2Cl)c(=O)n1[*:1]
CS(=O)(=O)N1CCC(c2nn(Cc3c(F)cccc3Cl)c(=O)n2-c2cccs2)CC1 CS(=O)(=O)N1CCC(CC1)[*:1] O=c1n(Cc2c(F)cccc2Cl)nc(n1-c1cccs1)[*:1]
O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCCO[C@H]1[*:1]
CCC1CCC(N(C)C(=O)c2nc(C(C)(C)C)n[nH]2)CC1 CC(C)(C)[*:1] CCC1CCC(CC1)N(C)C(=O)c1nc(n[nH]1)[*:1]
Cc1cc(C(=O)NCCc2cccnc2)c2nc3n(c2n1)CCCCC3 c1cncc(c1)CC[*:1] Cc1cc(C(=O)N[*:1])c2nc3CCCCCn3c2n1
Cc1cc(C(=O)NCCc2cccnc2)c2nc3n(c2n1)CCCCC3 c1cncc(c1)C[*:1] Cc1cc(C(=O)NC[*:1])c2nc3CCCCCn3c2n1
Cc1cc(C(=O)NCCc2cccnc2)c2nc3n(c2n1)CCCCC3 c1cncc(c1)[*:1] Cc1cc(C(=O)NCC[*:1])c2nc3CCCCCn3c2n1
Cc1ccccc1C[NH+](C)CC(=O)N(CCC#N)c1ccccc1 N#CCC[*:1] Cc1ccccc1C[NH+](C)CC(=O)N(c1ccccc1)[*:1]
Cc1ccccc1C[NH+](C)CC(=O)N(CCC#N)c1ccccc1 Cc1ccccc1[*:1] C[NH+](CC(=O)N(CCC#N)c1ccccc1)C[*:1]
Cc1ccccc1C[NH+](C)CC(=O)N(CCC#N)c1ccccc1 N#CC[*:1] Cc1ccccc1C[NH+](C)CC(=O)N(C[*:1])c1ccccc1
Cc1ccccc1C[NH+](C)CC(=O)N(CCC#N)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1C[NH+](C)CC(=O)N(CCC#N)[*:1]
Cc1ccccc1C[NH+](C)CC(=O)N(CCC#N)c1ccccc1 Cc1ccccc1C[*:1] C[NH+](CC(=O)N(CCC#N)c1ccccc1)[*:1]
CCOc1ccc2[nH]c([C@@]3([NH3+])CCC[C@@H](C)C3)nc2n1 CCO[*:1] C[C@@H]1CCC[C@@]([NH3+])(C1)c1nc2nc(ccc2[nH]1)[*:1]
Cc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc3cccnc32)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(CN2CCN(CC2)S(=O)(=O)[*:1])nc2cccnc21
Cc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc3cccnc32)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCN(CC1)Cc1nc2cccnc2n1[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)C(C)(C)C c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)NNC(=O)C(C)(C)C
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)C(C)(C)C CC(C)(C)[*:1] CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)C(C)(C)C c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)NNC(=O)C(C)(C)C)[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)NCc2csc(C(C)C)n2)o1 CC(C)c1nc(cs1)[*:1] CCc1ccc(o1)[C@@H]1COCCN1C(=O)NC[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)NCc2csc(C(C)C)n2)o1 CCc1ccc(o1)[*:1] CC(C)c1nc(cs1)CNC(=O)N1CCOC[C@H]1[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)NCc2csc(C(C)C)n2)o1 CC(C)[*:1] CCc1ccc(o1)[C@@H]1COCCN1C(=O)NCc1csc(n1)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCO[C@@H](C1)c1cc(F)c(Cl)cc1Cl
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 Fc1cc(c(Cl)cc1Cl)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N1CCO[C@H](C1)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C[*:1])N1CCO[C@@H](C1)c1cc(F)c(Cl)cc1Cl
CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(C(C)C)c1C CC(C)[*:1] CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(c1C)[*:1]
Cc1nc(NC(=O)Cc2ccccc2)sc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(NC(=O)Cc2ccccc2)sc1C[*:1]
Cc1nc(NC(=O)Cc2ccccc2)sc1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(NC(=O)Cc2ccccc2)sc1[*:1]
Cc1nc(NC(=O)Cc2ccccc2)sc1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(NC(=O)[*:1])sc1Cc1ccccc1
Cc1nc(NC(=O)Cc2ccccc2)sc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(NC(=O)C[*:1])sc1Cc1ccccc1
COc1cccc(N2CCN(C(=O)NCCC3=CCCCC3)CC2)c1 COc1cccc(c1)[*:1] O=C(NCCC1=CCCCC1)N1CCN(CC1)[*:1]
CCOc1cccc(CNC(=O)NCc2cn(C)nc2CC)c1 CCO[*:1] CCc1nn(C)cc1CNC(=O)NCc1cccc(c1)[*:1]
CCOc1c(Cl)cccc1NC(=O)C(=O)NC1CCC(C)CC1 CC1CCC(CC1)[*:1] CCOc1c(Cl)cccc1NC(=O)C(=O)N[*:1]
CCOc1c(Cl)cccc1NC(=O)C(=O)NC1CCC(C)CC1 CCO[*:1] CC1CCC(CC1)NC(=O)C(=O)Nc1cccc(Cl)c1[*:1]
CCc1ccc2nc(N3CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)sc2c1 COc1ccc(c(c1)OC)[*:1] CCc1ccc2nc(sc2c1)N1CCN(CC1)C(=O)N[*:1]
C=CCn1c(C)cc(-c2csc(NC(=O)CCc3c(C)noc3C)n2)c1C Cc1noc(C)c1C[*:1] C=CCn1c(C)cc(-c2csc(n2)NC(=O)C[*:1])c1C
C=CCn1c(C)cc(-c2csc(NC(=O)CCc3c(C)noc3C)n2)c1C Cc1noc(C)c1CC[*:1] C=CCn1c(C)cc(-c2csc(n2)NC(=O)[*:1])c1C
C=CCn1c(C)cc(-c2csc(NC(=O)CCc3c(C)noc3C)n2)c1C Cc1noc(C)c1[*:1] C=CCn1c(C)cc(-c2csc(n2)NC(=O)CC[*:1])c1C
C=CCn1c(C)cc(-c2csc(NC(=O)CCc3c(C)noc3C)n2)c1C C=CC[*:1] Cc1noc(C)c1CCC(=O)Nc1nc(cs1)-c1cc(C)n(c1C)[*:1]
O=C(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)c1cc(-c2ccco2)on1 FC(F)(F)[*:1] O=C(NCCc1nc2CCCCc2c(n1)[*:1])c1cc(on1)-c1ccco1
O=C(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)c1cc(-c2ccco2)on1 c1coc(c1)[*:1] O=C(NCCc1nc2CCCCc2c(n1)C(F)(F)F)c1cc(on1)[*:1]
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Cl)c1O CCO[*:1] N#C/C(=C\c1cc(Cl)c(O)c(c1)[*:1])c1nc2ccccc2s1
CC[C@@](C)(NC(=O)CSc1nnnn1C)c1nccs1 c1csc(n1)[*:1] CC[C@@](C)(NC(=O)CSc1nnnn1C)[*:1]
CC[C@@](C)(NC(=O)CSc1nnnn1C)c1nccs1 Cn1nnnc1[*:1] CC[C@@](C)(NC(=O)CS[*:1])c1nccs1
CCCCN(C)C(=O)c1ccc2c(c1)CC(=O)N2Cc1ccccc1 c1ccc(cc1)C[*:1] CCCCN(C)C(=O)c1ccc2c(c1)CC(=O)N2[*:1]
CCCCN(C)C(=O)c1ccc2c(c1)CC(=O)N2Cc1ccccc1 c1ccc(cc1)[*:1] CCCCN(C)C(=O)c1ccc2c(c1)CC(=O)N2C[*:1]
CCCCN(C)C(=O)c1ccc2c(c1)CC(=O)N2Cc1ccccc1 CCCCN(C)C(=O)[*:1] O=C1Cc2cc(ccc2N1Cc1ccccc1)[*:1]
CCCCN(C)C(=O)c1ccc2c(c1)CC(=O)N2Cc1ccccc1 CCC[*:1] CN(C[*:1])C(=O)c1ccc2c(c1)CC(=O)N2Cc1ccccc1
CCCCN(C)C(=O)c1ccc2c(c1)CC(=O)N2Cc1ccccc1 CCCC[*:1] CN(C(=O)c1ccc2c(c1)CC(=O)N2Cc1ccccc1)[*:1]
CCc1ccc([C@H](CC)NCC(=O)NC)cc1 CNC(=O)[*:1] CCc1ccc(cc1)[C@H](CC)NC[*:1]
CCc1ccc([C@H](CC)NCC(=O)NC)cc1 CNC(=O)C[*:1] CCc1ccc(cc1)[C@H](CC)N[*:1]
C[C@H]([NH2+]CCS(C)(=O)=O)[C@H](C)n1cccn1 CS(=O)(=O)C[*:1] C[C@H]([NH2+]C[*:1])[C@H](C)n1cccn1
C[C@H]([NH2+]CCS(C)(=O)=O)[C@H](C)n1cccn1 CS(=O)(=O)[*:1] C[C@H]([NH2+]CC[*:1])[C@H](C)n1cccn1
C[C@H]([NH2+]CCS(C)(=O)=O)[C@H](C)n1cccn1 c1cnn(c1)[*:1] C[C@H]([NH2+]CCS(C)(=O)=O)[C@H](C)[*:1]
COc1ccc([C@@H](C)N(C)C(=O)c2cc(Br)cn2C)cc1 Cn1cc(Br)cc1[*:1] COc1ccc(cc1)[C@@H](C)N(C)C(=O)[*:1]
C(\Oc1ccc2ccccc2c1)=C1\CO1 C(\O[*:1])=C1\CO1 c1ccc2cc(ccc2c1)[*:1]
CCCC(=O)N1CC[C@H](c2cc[nH]n2)C1 CCC[*:1] O=C(N1CC[C@@H](C1)c1cc[nH]n1)[*:1]
CCCC(=O)N1CC[C@H](c2cc[nH]n2)C1 c1cc(n[nH]1)[*:1] CCCC(=O)N1CC[C@H](C1)[*:1]
Cc1cccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)c1 CC(C)O[*:1] Cc1cccc(/C=N/n2c(n[nH]c2=S)-c2cccc(c2)[*:1])c1
Cc1cccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)c1 CC(C)[*:1] Cc1cccc(/C=N/n2c(n[nH]c2=S)-c2cccc(c2)O[*:1])c1
Cc1cccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)c1 Cc1cccc(c1)[*:1] CC(C)Oc1cccc(c1)-c1n[nH]c(=S)n1N=C[*:1]
CC[NH2+][C@H](C1CC1)C(C)(C)[NH+]1CCCC1 C1CC1[*:1] CC[NH2+][C@H](C(C)(C)[NH+]1CCCC1)[*:1]
CC[C@H](CSC)N(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H](CSC)N(C)C(=O)c1c(Cl)cccc1[*:1]
CC[C@H](CSC)N(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] CSC[*:1] CC[C@H](N(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-])[*:1]
CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)c1cc(F)c(F)c(F)c1 CCO[*:1] O=C(N[C@@H](CO)c1cc(F)c(F)c(F)c1)[C@H]1C[C@H]1[*:1]
Cn1c(SCC(=O)N/N=C/c2ccc3c(c2)OCO3)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)N/N=C/c1ccc2OCOc2c1
Cn1c(SCC(=O)N/N=C/c2ccc3c(c2)OCO3)nnc1-c1ccccc1 c1cc2OCOc2cc1[*:1] Cn1c(nnc1-c1ccccc1)SCC(=O)NN=C[*:1]
O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)c1ccc(F)cc1F c1cncc(c1)CO[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1ccc(F)cc1F
O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=S(=O)([N-]c1cccc(c1)OCc1cccnc1)[*:1]
O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)c1ccc(F)cc1F c1cncc(c1)C[*:1] O=S(=O)([N-]c1cccc(c1)O[*:1])c1ccc(F)cc1F
O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)c1ccc(F)cc1F c1cncc(c1)[*:1] O=S(=O)([N-]c1cccc(c1)OC[*:1])c1ccc(F)cc1F
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCC(C1CC1)C1CC1 O=C([O-])[*:1] C[C@H]1[C@@H](CCN1C(=O)NCC(C1CC1)C1CC1)[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCC(C1CC1)C1CC1 C1CC1[*:1] C[C@H]1[C@H](CCN1C(=O)NCC(C1CC1)[*:1])C(=O)[O-]
CC(C)Oc1ccc2c(C(=O)N3CCN(c4ccccc4F)CC3)cc(=O)oc2c1 CC(C)[*:1] O=C(c1cc(=O)oc2cc(ccc12)O[*:1])N1CCN(CC1)c1ccccc1F
CC(C)Oc1ccc2c(C(=O)N3CCN(c4ccccc4F)CC3)cc(=O)oc2c1 CC(C)O[*:1] O=C(c1cc(=O)oc2cc(ccc12)[*:1])N1CCN(CC1)c1ccccc1F
CC(C)Oc1ccc2c(C(=O)N3CCN(c4ccccc4F)CC3)cc(=O)oc2c1 Fc1ccccc1[*:1] CC(C)Oc1ccc2c(cc(=O)oc2c1)C(=O)N1CCN(CC1)[*:1]
Cc1cc(C)cc([C@H](O)CN(CCC(N)=O)c2ccc(F)cc2)c1 NC(=O)C[*:1] Cc1cc(C)cc(c1)[C@H](O)CN(C[*:1])c1ccc(F)cc1
Cc1cc(C)cc([C@H](O)CN(CCC(N)=O)c2ccc(F)cc2)c1 Cc1cc(C)cc(c1)[*:1] NC(=O)CCN(C[C@@H](O)[*:1])c1ccc(F)cc1
Cc1cc(C)cc([C@H](O)CN(CCC(N)=O)c2ccc(F)cc2)c1 NC(=O)CC[*:1] Cc1cc(C)cc(c1)[C@H](O)CN(c1ccc(F)cc1)[*:1]
Cc1cc(C)cc([C@H](O)CN(CCC(N)=O)c2ccc(F)cc2)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)[C@H](O)CN(CC[*:1])c1ccc(F)cc1
Cc1cc(C)cc([C@H](O)CN(CCC(N)=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)[C@H](O)CN(CCC(N)=O)[*:1]
C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(N)=O C[C@H](S[*:1])C(N)=O O=S(=O)(c1ccc(nc1)[*:1])N1CCCC1
C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(N)=O NC(=O)[*:1] C[C@H](Sc1ccc(cn1)S(=O)(=O)N1CCCC1)[*:1]
C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(N)=O C[C@H](C(N)=O)[*:1] O=S(=O)(c1ccc(nc1)S[*:1])N1CCCC1
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 CC(=O)[*:1] CN(CC(=O)N1CC[NH+](CC1)CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] CN(CC(=O)N1CC[NH+](CC1)CC(=O)N1CCCCCC1)S(=O)(=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 O=C(N1CCCCCC1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(C)CC(=O)N1CC[NH+](CC1)C[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 O=C(C[*:1])N1CCCCCC1 CC(=O)c1ccc(cc1)S(=O)(=O)N(C)CC(=O)N1CC[NH+](CC1)[*:1]
O=c1c2cccnc2cc(-c2ccccc2)n1CCO c1ccc(cc1)[*:1] O=c1c2cccnc2cc(n1CCO)[*:1]
O=c1c2cccnc2cc(-c2ccccc2)n1CCO OCC[*:1] O=c1c2cccnc2cc(-c2ccccc2)n1[*:1]
Fc1ccc(Br)cc1NC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] Fc1ccc(Br)cc1NC[*:1]
O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(CC1)[*:1]
O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1 O=[N+]([O-])[*:1] O=C(Cc1ccccc1[*:1])N1CCN(CC1)c1ccc(F)cc1
COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(C)cc2F)c1 COc1cccc(c1)[*:1] Cc1ccc(NC(=O)N(C[C@H]2CCCO2)C[*:1])c(F)c1
COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(C)cc2F)c1 Cc1ccc(c(F)c1)[*:1] COc1cccc(c1)CN(C[C@H]1CCCO1)C(=O)N[*:1]
COc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(C)cc2F)c1 COc1cccc(c1)C[*:1] Cc1ccc(NC(=O)N(C[C@H]2CCCO2)[*:1])c(F)c1
Nc1cc(C(=O)N2CCC(Cc3n[nH]c(=O)n3-c3ccccc3)CC2)n[nH]1 c1ccc(cc1)[*:1] Nc1cc(n[nH]1)C(=O)N1CCC(CC1)Cc1n[nH]c(=O)n1[*:1]
Nc1cc(C(=O)N2CCC(Cc3n[nH]c(=O)n3-c3ccccc3)CC2)n[nH]1 Nc1cc(n[nH]1)[*:1] O=C(N1CCC(CC1)Cc1n[nH]c(=O)n1-c1ccccc1)[*:1]
CCOc1cc(CN2CCO[C@H](C(F)(F)F)C2)ccc1OC(C)C CCO[*:1] CC(C)Oc1ccc(cc1[*:1])CN1CCO[C@@H](C1)C(F)(F)F
CCOc1cc(CN2CCO[C@H](C(F)(F)F)C2)ccc1OC(C)C CC(C)O[*:1] CCOc1cc(ccc1[*:1])CN1CCO[C@@H](C1)C(F)(F)F
CCOc1cc(CN2CCO[C@H](C(F)(F)F)C2)ccc1OC(C)C CC(C)[*:1] CCOc1cc(ccc1O[*:1])CN1CCO[C@@H](C1)C(F)(F)F
CCOc1cc(CN2CCO[C@H](C(F)(F)F)C2)ccc1OC(C)C FC(F)(F)[*:1] CCOc1cc(ccc1OC(C)C)CN1CCO[C@H](C1)[*:1]
C[NH+](C)CCC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 c1cnn(c1)[*:1] C[NH+](C)CCC1CC[NH+](CC1)Cc1cccc(c1)[*:1]
CC(=O)NCCC(=O)N1CCCc2cc(Br)ccc21 CC(=O)N[*:1] O=C(CC[*:1])N1CCCc2cc(Br)ccc21
CC(=O)NCCC(=O)N1CCCc2cc(Br)ccc21 CC(=O)NCC[*:1] O=C(N1CCCc2cc(Br)ccc21)[*:1]
CC(=O)NCCC(=O)N1CCCc2cc(Br)ccc21 CC(=O)NC[*:1] O=C(C[*:1])N1CCCc2cc(Br)ccc21
CCc1noc(CC)c1CC(=O)N[C@H]1CCC[C@H]1C C[C@@H]1CCC[C@@H]1[*:1] CCc1noc(CC)c1CC(=O)N[*:1]
C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
COc1ccc(Cc2noc(-c3cc(C)n(C4CC4)c3C)n2)cc1OC C1CC1[*:1] COc1ccc(cc1OC)Cc1noc(n1)-c1cc(C)n(c1C)[*:1]
CN(CCC#N)C(=O)Nc1ccc(Br)c(F)c1 N#CCC[*:1] CN(C(=O)Nc1ccc(Br)c(F)c1)[*:1]
CN(CCC#N)C(=O)Nc1ccc(Br)c(F)c1 N#CC[*:1] CN(C[*:1])C(=O)Nc1ccc(Br)c(F)c1
N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(C4CCCCC4)c(=O)n2C3)cc1 C1CCC(CC1)[*:1] N#Cc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H](C1)c1ccc(c(=O)n1C2)[*:1]
N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(C4CCCCC4)c(=O)n2C3)cc1 N#Cc1ccc(cc1)[*:1] O=C(N1C[C@@H]2C[C@H](C1)c1ccc(c(=O)n1C2)C1CCCCC1)[*:1]
CC(=O)Nc1cccc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1 CC(=O)Nc1cccc(c1)[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\N[*:1])[C@H]1CCS(=O)(=O)C1
CC(=O)Nc1cccc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1 CC(=O)N[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\Nc1cccc(c1)[*:1])[C@H]1CCS(=O)(=O)C1
O=C1NCC(=O)N2CCN(C(=O)Nc3ccccc3C(F)(F)F)C[C@H]12 FC(F)(F)[*:1] O=C1NCC(=O)N2CCN(C[C@H]12)C(=O)Nc1ccccc1[*:1]
Cc1nc(SCC(=O)NCC(C)C)cc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc(cc(n1)[*:1])SCC(=O)NCC(C)C
Cc1nc(SCC(=O)NCC(C)C)cc(-c2ccccc2)n1 CC(C)[*:1] Cc1nc(cc(n1)-c1ccccc1)SCC(=O)NC[*:1]
Cc1nc(SCC(=O)NCC(C)C)cc(-c2ccccc2)n1 CC(C)C[*:1] Cc1nc(cc(n1)-c1ccccc1)SCC(=O)N[*:1]
Cc1nc(SCC(=O)NCC(C)C)cc(-c2ccccc2)n1 CC(C)CNC(=O)[*:1] Cc1nc(cc(n1)-c1ccccc1)SC[*:1]
CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1cn(nc1-c1ccc(C)cc1)[*:1]
CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)c1cn(nc1[*:1])-c1ccccc1
CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
COc1cccc(C(=O)NCCNC(=O)c2[nH]nc(C3CC3)c2Cl)c1 C1CC1[*:1] COc1cccc(c1)C(=O)NCCNC(=O)c1[nH]nc(c1Cl)[*:1]
COc1cccc(C(=O)NCCNC(=O)c2[nH]nc(C3CC3)c2Cl)c1 COc1cccc(c1)[*:1] O=C(NCCNC(=O)[*:1])c1[nH]nc(c1Cl)C1CC1
O=C(COc1ccc(F)cc1F)NCCc1cccc(C(F)(F)F)c1 Fc1ccc(c(F)c1)[*:1] O=C(CO[*:1])NCCc1cccc(c1)C(F)(F)F
O=C(COc1ccc(F)cc1F)NCCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(COc1ccc(F)cc1F)NCCc1cccc(c1)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OC(C)(C)C)cc1 CC(C)(C)O[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(cc1)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OC(C)(C)C)cc1 CC(C)(C)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(cc1)O[*:1]
CC[NH+](CCNC(=O)c1cccc(-c2csc(C)n2)c1)C1CC1 Cc1nc(cs1)[*:1] CC[NH+](CCNC(=O)c1cccc(c1)[*:1])C1CC1
Cc1cc(NC(=O)C(=O)NCCC(F)(F)F)c2ncccc2c1 FC(F)(F)C[*:1] Cc1cc(NC(=O)C(=O)NC[*:1])c2ncccc2c1
Cc1cc(NC(=O)C(=O)NCCC(F)(F)F)c2ncccc2c1 FC(F)(F)[*:1] Cc1cc(NC(=O)C(=O)NCC[*:1])c2ncccc2c1
Cc1cc(NC(=O)C(=O)NCCC(F)(F)F)c2ncccc2c1 FC(F)(F)CC[*:1] Cc1cc(NC(=O)C(=O)N[*:1])c2ncccc2c1
CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 CC(C)C[*:1] CNC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)C(C)C)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 CNC(=O)[*:1] CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)C(C)C)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)C(C)C
COCc1nc(C)cc(NC2CC[NH+](Cc3ccccn3)CC2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])NC1CC[NH+](CC1)Cc1ccccn1
COCc1nc(C)cc(NC2CC[NH+](Cc3ccccn3)CC2)n1 c1ccc(C[*:1])nc1 COCc1nc(C)cc(n1)NC1CC[NH+](CC1)[*:1]
COCc1nc(C)cc(NC2CC[NH+](Cc3ccccn3)CC2)n1 c1ccc(nc1)[*:1] COCc1nc(C)cc(n1)NC1CC[NH+](CC1)C[*:1]
CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2cc[nH]n2)CC1 CCC[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)NCc1cc[nH]n1)N[*:1]
CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2cc[nH]n2)CC1 c1cc(C[*:1])n[nH]1 CCCNC(=O)C[NH+]1CCC(CC1)NC(=O)N[*:1]
CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2cc[nH]n2)CC1 CCCNC(=O)[*:1] O=C(NCc1cc[nH]n1)NC1CC[NH+](CC1)C[*:1]
CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2cc[nH]n2)CC1 c1cc(n[nH]1)[*:1] CCCNC(=O)C[NH+]1CCC(CC1)NC(=O)NC[*:1]
CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2cc[nH]n2)CC1 CCCNC(=O)C[*:1] O=C(NCc1cc[nH]n1)NC1CC[NH+](CC1)[*:1]
Cc1ccc(N(C(=O)c2ccccc2)C(=S)C#N)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N(C(=O)[*:1])C(=S)C#N
CCC(CC)N1C(=O)[C@@H]2CCCN2C(=O)[C@@H]1C(C)C CC(C)[*:1] CCC(CC)N1C(=O)[C@@H]2CCCN2C(=O)[C@H]1[*:1]
CCC(CC)N1C(=O)[C@@H]2CCCN2C(=O)[C@@H]1C(C)C CCC(CC)[*:1] CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N1[*:1]
Cc1cc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[*:1]
CN(Cc1cccnc1)C(=O)c1ccc(-c2ccccc2)[nH]1 c1cncc(c1)[*:1] CN(C[*:1])C(=O)c1ccc([nH]1)-c1ccccc1
CN(Cc1cccnc1)C(=O)c1ccc(-c2ccccc2)[nH]1 c1cncc(c1)C[*:1] CN(C(=O)c1ccc([nH]1)-c1ccccc1)[*:1]
CN(Cc1cccnc1)C(=O)c1ccc(-c2ccccc2)[nH]1 c1ccc(cc1)[*:1] CN(Cc1cccnc1)C(=O)c1ccc([nH]1)[*:1]
O=C(N[C@]1(C(=O)[O-])CCSC1)c1nnn[n-]1 O=C([O-])[*:1] O=C(N[C@@]1(CCSC1)[*:1])c1nnn[n-]1
Cc1noc(CN2CCN(C(=O)C(=O)Nc3cccnc3Cl)CC2)n1 Cc1noc(C[*:1])n1 O=C(Nc1cccnc1Cl)C(=O)N1CCN(CC1)[*:1]
Cc1noc(CN2CCN(C(=O)C(=O)Nc3cccnc3Cl)CC2)n1 Clc1ncccc1[*:1] Cc1noc(CN2CCN(CC2)C(=O)C(=O)N[*:1])n1
Cc1noc(CN2CCN(C(=O)C(=O)Nc3cccnc3Cl)CC2)n1 Cc1noc(n1)[*:1] O=C(Nc1cccnc1Cl)C(=O)N1CCN(CC1)C[*:1]
Cc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)N1CCC(CC1)c1ccc(O)cc1
Cc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1[*:1])C(=O)N1CCC(CC1)c1ccc(O)cc1
Cc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1NC(=O)c1ccco1 Oc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)N1CCC(CC1)[*:1]
CN(Cc1cccc(O)c1)S(=O)(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CN(Cc1cccc(O)c1)S(=O)(=O)N[*:1]
CN(Cc1cccc(O)c1)S(=O)(=O)NCc1ccccc1 Oc1cccc(c1)[*:1] CN(C[*:1])S(=O)(=O)NCc1ccccc1
CN(Cc1cccc(O)c1)S(=O)(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cccc(O)c1)S(=O)(=O)NC[*:1]
Cn1cc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c(n1)[*:1]
CC(C)Oc1ncccc1CNC(=O)c1c[nH]c2cccc(F)c12 CC(C)[*:1] O=C(NCc1cccnc1O[*:1])c1c[nH]c2cccc(F)c12
CC(C)Oc1ncccc1CNC(=O)c1c[nH]c2cccc(F)c12 CC(C)O[*:1] O=C(NCc1cccnc1[*:1])c1c[nH]c2cccc(F)c12
COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCCC2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)[C@@H]1SC(C)=Nc2c1c(O)nn2[*:1]
CCCN1CCO[C@@H](c2nc3c(s2)[C@H]([NH2+]C)CCC3)C1 CCC[*:1] C[NH2+][C@@H]1CCCc2nc(sc21)[C@H]1CN(CCO1)[*:1]
Cc1nc(-c2nc(CC(=O)NNC(=O)Nc3cccc(C(F)(F)F)c3)cs2)cs1 Cc1nc(cs1)[*:1] O=C(Cc1csc(n1)[*:1])NNC(=O)Nc1cccc(c1)C(F)(F)F
Cc1nc(-c2nc(CC(=O)NNC(=O)Nc3cccc(C(F)(F)F)c3)cs2)cs1 FC(F)(F)[*:1] Cc1nc(cs1)-c1nc(cs1)CC(=O)NNC(=O)Nc1cccc(c1)[*:1]
C[C@@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@@H](NC(=O)c1cccc(c1)NC(=O)C1CC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc(N2CCCC2=O)cc1 C1CC1[*:1] C[C@@H](NC(=O)c1cccc(c1)NC(=O)[*:1])c1ccc(cc1)N1CCCC1=O
C[C@@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc(N2CCCC2=O)cc1 O=C(N[*:1])C1CC1 C[C@@H](NC(=O)c1cccc(c1)[*:1])c1ccc(cc1)N1CCCC1=O
C/[NH+]=C(/NCc1[nH+]ccn1C)N[C@@H](C)COC COC[C@H](C)[*:1] C/[NH+]=C(/NCc1[nH+]ccn1C)N[*:1]
C/[NH+]=C(/NCc1[nH+]ccn1C)N[C@@H](C)COC COC[*:1] C/[NH+]=C(/NCc1[nH+]ccn1C)N[C@@H](C)[*:1]
Cc1ccc(C)c(NC(=O)C[NH+](C)CC(=O)Nc2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] Cc1ccc(C)c(c1)NC(=O)C[NH+](C)CC(=O)N[*:1]
Cc1ccc(C)c(NC(=O)C[NH+](C)CC(=O)Nc2cccc(C)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1cccc(NC(=O)C[NH+](C)CC(=O)N[*:1])c1C
C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 c1coc(c1)C[*:1] C[NH2+]Cc1nc2cc(ccc2n1[*:1])C(F)(F)F
C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 c1coc(c1)[*:1] C[NH2+]Cc1nc2cc(ccc2n1C[*:1])C(F)(F)F
C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 FC(F)(F)[*:1] C[NH2+]Cc1nc2cc(ccc2n1Cc1ccco1)[*:1]
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(O[*:1])c(Cl)c1
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(c(Cl)c1)[*:1]
O=C([O-])c1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O O=C([O-])[*:1] O=c1c(cccn1Cc1ccc2OC(F)(F)Oc2c1)[*:1]
C[C@H](Cc1cccs1)NC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cc1cccs1)NC(=O)CC[*:1]
C[C@H](Cc1cccs1)NC(=O)CCc1ccccc1 c1csc(c1)C[*:1] C[C@H](NC(=O)CCc1ccccc1)[*:1]
C[C@H](Cc1cccs1)NC(=O)CCc1ccccc1 c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)CCc1ccccc1
CCCCCc1nc2sc3c(c2c(=O)n1N)C[C@H](C)CC3 CCCCC[*:1] C[C@@H]1CCc2sc3nc(n(N)c(=O)c3c2C1)[*:1]
CCCCCc1nc2sc3c(c2c(=O)n1N)C[C@H](C)CC3 CCCC[*:1] C[C@@H]1CCc2sc3nc(C[*:1])n(N)c(=O)c3c2C1
CCCCCc1nc2sc3c(c2c(=O)n1N)C[C@H](C)CC3 CCC[*:1] C[C@@H]1CCc2sc3nc(CC[*:1])n(N)c(=O)c3c2C1
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NCCN1CCOCC1
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1N1CCc2ccccc21 C1CN(CCO1)C[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc21)NC[*:1]
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1N1CCc2ccccc21 C(CN1CCOCC1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCc2ccccc21
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1N1CCc2ccccc21 O=[N+]([O-])[*:1] c1ccc2c(c1)CCN2c1ncnc(NCCN2CCOCC2)c1[*:1]
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1N1CCc2ccccc21 C1CN(CCO1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc21)NCC[*:1]
O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1N1CCc2ccccc21 C1CN(CCO1)CC[*:1] O=[N+]([O-])c1c(ncnc1N1CCc2ccccc21)N[*:1]
C[C@@H]1CN(CC(=O)NCCC#N)[C@H](C)CO1 N#CCC[*:1] C[C@@H]1CN(CC(=O)N[*:1])[C@H](C)CO1
C[C@@H]1CN(CC(=O)NCCC#N)[C@H](C)CO1 N#CC[*:1] C[C@@H]1CN(CC(=O)NC[*:1])[C@H](C)CO1
CCC[NH2+][C@H](CC(C)(C)C)c1ccc(Br)o1 CCC[*:1] CC(C)(C)C[C@@H]([NH2+][*:1])c1ccc(Br)o1
CCC[NH2+][C@H](CC(C)(C)C)c1ccc(Br)o1 CC(C)(C)C[*:1] CCC[NH2+][C@H](c1ccc(Br)o1)[*:1]
CCC[NH2+][C@H](CC(C)(C)C)c1ccc(Br)o1 CC(C)(C)[*:1] CCC[NH2+][C@H](C[*:1])c1ccc(Br)o1
CCn1ccnc1SCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 CCn1ccnc1[*:1] COc1ccc(cc1)[C@H]1CCCCCN1C(=O)CS[*:1]
CCn1ccnc1SCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 CCn1ccnc1S[*:1] COc1ccc(cc1)[C@H]1CCCCCN1C(=O)C[*:1]
CCn1ccnc1SCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCn1ccnc1SCC(=O)N1CCCCC[C@H]1[*:1]
COc1ccccc1-c1csc(-c2nnn(-c3ccccc3)c2N)n1 c1ccc(cc1)[*:1] COc1ccccc1-c1csc(n1)-c1nnn(c1N)[*:1]
COc1ccccc1-c1csc(-c2nnn(-c3ccccc3)c2N)n1 COc1ccccc1[*:1] Nc1c(nnn1-c1ccccc1)-c1nc(cs1)[*:1]
CCCNC(=O)c1ccc(NCc2cc(C)on2)cc1Cl Cc1cc(C[*:1])no1 CCCNC(=O)c1ccc(cc1Cl)N[*:1]
CCCNC(=O)c1ccc(NCc2cc(C)on2)cc1Cl CCC[*:1] Cc1cc(CNc2ccc(C(=O)N[*:1])c(Cl)c2)no1
CCCNC(=O)c1ccc(NCc2cc(C)on2)cc1Cl Cc1cc(no1)[*:1] CCCNC(=O)c1ccc(cc1Cl)NC[*:1]
CCCNC(=O)c1ccc(NCc2cc(C)on2)cc1Cl CCCNC(=O)[*:1] Cc1cc(CNc2ccc(c(Cl)c2)[*:1])no1
COC(=O)c1ccccc1NCC(=O)N(C)Cc1ccc(C)o1 Cc1ccc(C[*:1])o1 COC(=O)c1ccccc1NCC(=O)N(C)[*:1]
COC(=O)c1ccccc1NCC(=O)N(C)Cc1ccc(C)o1 COC(=O)[*:1] Cc1ccc(CN(C)C(=O)CNc2ccccc2[*:1])o1
COC(=O)c1ccccc1NCC(=O)N(C)Cc1ccc(C)o1 Cc1ccc(o1)[*:1] COC(=O)c1ccccc1NCC(=O)N(C)C[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-] O=C([O-])[*:1] Cc1nc(sc1C(=O)N[C@@H](CC1C[NH+]=c2ccccc2=1)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-] c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N[C@@H](CC1C[NH+]=c2ccccc2=1)C(=O)[O-])[*:1]
COc1ccc(-c2cnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccccc2C)cc1 COc1ccc(cc1)[*:1] Cc1nnc(NC(=O)CSc2ncc(n2-c2ccccc2C)[*:1])s1
COc1ccc(-c2cnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccccc2C)cc1 Cc1nnc(NC(=O)C[*:1])s1 COc1ccc(cc1)-c1cnc(S[*:1])n1-c1ccccc1C
COc1ccc(-c2cnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccccc2C)cc1 Cc1nnc(s1)[*:1] COc1ccc(cc1)-c1cnc(SCC(=O)N[*:1])n1-c1ccccc1C
COc1ccc(-c2cnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccccc2C)cc1 Cc1nnc(NC(=O)[*:1])s1 COc1ccc(cc1)-c1cnc(SC[*:1])n1-c1ccccc1C
COc1ccc(-c2cnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccccc2C)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)-c1cnc(SCC(=O)Nc2nnc(C)s2)n1[*:1]
O=C([O-])CCc1cncc([C@@H]2CN(c3ccccc3)CCO2)n1 O=C([O-])[*:1] c1ccc(cc1)N1CCO[C@@H](C1)c1cncc(CC[*:1])n1
O=C([O-])CCc1cncc([C@@H]2CN(c3ccccc3)CCO2)n1 O=C([O-])C[*:1] c1ccc(cc1)N1CCO[C@@H](C1)c1cncc(C[*:1])n1
O=C([O-])CCc1cncc([C@@H]2CN(c3ccccc3)CCO2)n1 c1ccc(cc1)[*:1] O=C([O-])CCc1cncc(n1)[C@@H]1CN(CCO1)[*:1]
O=C([O-])CCc1cncc([C@@H]2CN(c3ccccc3)CCO2)n1 O=C([O-])CC[*:1] c1ccc(cc1)N1CCO[C@@H](C1)c1cncc(n1)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)NCc2cccc(Cn3cncn3)c2)c1 c1ncn(C[*:1])n1 CCNC(=O)c1ccc(C)c(c1)NC(=O)NCc1cccc(c1)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)NCc2cccc(Cn3cncn3)c2)c1 CCNC(=O)[*:1] Cc1ccc(cc1NC(=O)NCc1cccc(c1)Cn1cncn1)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)NCc2cccc(Cn3cncn3)c2)c1 c1ncn(n1)[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)NCc1cccc(c1)C[*:1]
O=C1C[C@H]([NH2+]CCC2=CCCCC2)C(=O)N1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1C[C@H]([NH2+]CCC2=CCCCC2)C(=O)N1c1cccc(c1)[*:1]
Cc1nn(C)cc1-c1cc(C(F)(F)F)c2c(C)nn(CC(=O)[O-])c2n1 O=C([O-])[*:1] Cc1nn(C)cc1-c1cc(c2c(C)nn(C[*:1])c2n1)C(F)(F)F
Cc1nn(C)cc1-c1cc(C(F)(F)F)c2c(C)nn(CC(=O)[O-])c2n1 O=C([O-])C[*:1] Cc1nn(C)cc1-c1cc(c2c(C)nn(c2n1)[*:1])C(F)(F)F
Cc1nn(C)cc1-c1cc(C(F)(F)F)c2c(C)nn(CC(=O)[O-])c2n1 FC(F)(F)[*:1] Cc1nn(C)cc1-c1cc(c2c(C)nn(CC(=O)[O-])c2n1)[*:1]
Cc1nn(C)cc1-c1cc(C(F)(F)F)c2c(C)nn(CC(=O)[O-])c2n1 Cc1nn(C)cc1[*:1] Cc1nn(CC(=O)[O-])c2nc(cc(c12)C(F)(F)F)[*:1]
O=c1cc(C[NH+]2CCc3onc(-c4cccc5ccccc45)c3C2)[nH]c(=O)[nH]1 O=c1cc([nH]c(=O)[nH]1)[*:1] c1ccc2c(cccc2c1)-c1noc2CC[NH+](Cc12)C[*:1]
CCCNc1cccc(CSc2ccccc2F)n1 CCCN[*:1] Fc1ccccc1SCc1cccc(n1)[*:1]
CCCNc1cccc(CSc2ccccc2F)n1 CCC[*:1] Fc1ccccc1SCc1cccc(n1)N[*:1]
CC(=O)C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)C1=C([O-])C(=O)N(c2cccnc2)[C@H]1[*:1]
CC(=O)C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc(Cl)cc1 c1cncc(c1)[*:1] CC(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(Cl)cc1)[*:1]
CC(=O)C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc(Cl)cc1 CC(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(Cl)cc2)N1c1cccnc1)[*:1]
CCNC(=O)Cn1ccc([C@H]([NH2+]CC)C2CC2)c1 CCNC(=O)[*:1] CC[NH2+][C@@H](c1ccn(c1)C[*:1])C1CC1
CCNC(=O)Cn1ccc([C@H]([NH2+]CC)C2CC2)c1 C1CC1[*:1] CCNC(=O)Cn1ccc(c1)[C@H]([NH2+]CC)[*:1]
CCNC(=O)Cn1ccc([C@H]([NH2+]CC)C2CC2)c1 CCNC(=O)C[*:1] CC[NH2+][C@@H](c1ccn(c1)[*:1])C1CC1
CC(C)Oc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)[C@H]2CCCCNC2=O)cc1 CC(C)[*:1] O=C1NCCCC[C@@H]1N(Cc1ccc(cc1)O[*:1])C(=O)c1ccc2OCOc2c1
CC(C)Oc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)[C@H]2CCCCNC2=O)cc1 CC(C)O[*:1] O=C1NCCCC[C@@H]1N(Cc1ccc(cc1)[*:1])C(=O)c1ccc2OCOc2c1
CC(C)Oc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)[C@H]2CCCCNC2=O)cc1 c1cc2OCOc2cc1[*:1] CC(C)Oc1ccc(cc1)CN(C(=O)[*:1])[C@H]1CCCCNC1=O
CC(C)Oc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)[C@H]2CCCCNC2=O)cc1 CC(C)Oc1ccc(cc1)[*:1] O=C1NCCCC[C@@H]1N(C[*:1])C(=O)c1ccc2OCOc2c1
Cc1ccc(Br)cc1NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 C1CC1[*:1] Cc1ccc(Br)cc1NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@H](NC(=O)C(=O)NCCCO)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)NCCCO)[*:1]
C[C@H](NC(=O)C(=O)NCCCO)c1ccccc1 OCCC[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1ccccc1
C[C@H](NC(=O)C(=O)NCCCO)c1ccccc1 OCC[*:1] C[C@H](NC(=O)C(=O)NC[*:1])c1ccccc1
CCOc1ccc2c(c1)cc(C(=O)NCc1cccc(OC)c1)n2C COc1cccc(c1)[*:1] CCOc1ccc2c(c1)cc(C(=O)NC[*:1])n2C
CCOc1ccc2c(c1)cc(C(=O)NCc1cccc(OC)c1)n2C CCO[*:1] COc1cccc(c1)CNC(=O)c1cc2cc(ccc2n1C)[*:1]
Cc1ccc(NC(=O)CSCC(=O)N2CCN(c3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CSCC(=O)N1CCN(CC1)c1ccccc1)N[*:1]
Cc1ccc(NC(=O)CSCC(=O)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CSCC(=O)N1CCN(CC1)[*:1]
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NCc2cccnc2)C1 c1cncc(c1)C[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)N[*:1]
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)NCc2cccnc2)C1 c1cncc(c1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC(=O)NC[*:1]
CCC[C@@H]1C(=O)NC(=O)C[C@]12C[C@H](C)CC[C@@H]2C(C)C CCC[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@]12CC(=O)NC(=O)[C@H]2[*:1]
CCC[C@@H]1C(=O)NC(=O)C[C@]12C[C@H](C)CC[C@@H]2C(C)C CC(C)[*:1] CCC[C@@H]1C(=O)NC(=O)C[C@]12C[C@H](C)CC[C@H]2[*:1]
CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@@]1(C)C(=O)c1ccccc1N CC(C)(C)[*:1] C[C@]1(C(=O)c2ccccc2N)[C@@H](C(=O)N[*:1])[C@H]1C(=O)[O-]
CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@@]1(C)C(=O)c1ccccc1N O=C([O-])[*:1] CC(C)(C)NC(=O)[C@H]1[C@@H]([C@@]1(C)C(=O)c1ccccc1N)[*:1]
CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@@]1(C)C(=O)c1ccccc1N Nc1ccccc1[*:1] CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@@]1(C)C(=O)[*:1]
CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@@]1(C)C(=O)c1ccccc1N CC(C)(C)NC(=O)[*:1] C[C@]1(C(=O)c2ccccc2N)[C@H]([C@H]1C(=O)[O-])[*:1]
CS(=O)(=O)NCCNC(=O)Nc1cccnc1 CS(=O)(=O)N[*:1] O=C(NCC[*:1])Nc1cccnc1
CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCOC CCC[*:1] COCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@]12C(=O)N(c1ccccc12)[*:1]
CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCOC COCC[*:1] CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2C[*:1]
CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCOC COCCC[*:1] CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2[*:1]
CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCOC COC[*:1] CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CC[*:1]
C[C@H]1CN(Cc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3)cc2)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)C[*:1] N#C[C@H](NC(=O)c1ccc(cc1)[*:1])c1cccc(Cl)c1
C[C@H]1CN(Cc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3)cc2)C[C@@H](C)O1 Clc1cccc(c1)[*:1] C[C@H]1CN(Cc2ccc(cc2)C(=O)N[C@@H](C#N)[*:1])C[C@@H](C)O1
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)[*:1]
CCCn1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)ccc1=O CCC[*:1] COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(=O)n(c1)[*:1]
CCC1=NN(C(=O)c2ccc(OC)cc2)[C@](O)(c2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CCC1C[C@@](O)(N(N=1)C(=O)c1ccc(cc1)OC)[*:1]
CCC1=NN(C(=O)c2ccc(OC)cc2)[C@](O)(c2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CCC1C[C@@](O)(c2ccc(cc2)OC)N(N=1)C(=O)[*:1]
O=[N+]([O-])c1ccc(CNCCC[NH+]2CCCC2)cc1F O=[N+]([O-])[*:1] Fc1cc(ccc1[*:1])CNCCC[NH+]1CCCC1
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cn1C CC(=O)c1ccc(cc1)[*:1] CCOC(=O)c1cc(cn1C)S(=O)(=O)N1CCN(CC1)[*:1]
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cn1C CC(=O)[*:1] CCOC(=O)c1cc(cn1C)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cn1C CCOC(=O)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cc(n(C)c1)[*:1]
CCOc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1 c1cnn(c1)[*:1] CCOc1ccc(cc1)NC(=O)N1CCN(CC1)c1cc(nc(C)n1)[*:1]
CCOc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1 CCO[*:1] Cc1nc(cc(n1)-n1cccn1)N1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1nc(cc(n1)-n1cccn1)N1CCN(CC1)C(=O)N[*:1]
O=C(/C=C/c1cc(F)ccc1F)c1ccc(N2CCC(O)CC2)cc1 OC1CCN(CC1)[*:1] O=C(/C=C/c1cc(F)ccc1F)c1ccc(cc1)[*:1]
O=C(/C=C/c1cc(F)ccc1F)c1ccc(N2CCC(O)CC2)cc1 Fc1ccc(F)c(c1)[*:1] O=C(C=C[*:1])c1ccc(cc1)N1CCC(O)CC1
CCN(CC1CC[NH2+]CC1)C(=O)Cc1cccs1 c1csc(c1)[*:1] CCN(CC1CC[NH2+]CC1)C(=O)C[*:1]
CCN(CC1CC[NH2+]CC1)C(=O)Cc1cccs1 c1csc(c1)C[*:1] CCN(CC1CC[NH2+]CC1)C(=O)[*:1]
CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cnc(C)s2)C1 Cc1ncc(s1)[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)[NH2+][C@@H](C)[*:1]
CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cnc(C)s2)C1 CC[S@](=O)[*:1] Cc1ncc(s1)[C@H](C)[NH2+][C@H]1CCC[C@H](C1)[*:1]
NC(=O)c1ccc(-n2c(SCC(=O)Nc3nccs3)nc3ccsc3c2=O)cc1 c1csc(n1)[*:1] NC(=O)c1ccc(cc1)-n1c(nc2ccsc2c1=O)SCC(=O)N[*:1]
NC(=O)c1ccc(-n2c(SCC(=O)Nc3nccs3)nc3ccsc3c2=O)cc1 O=C(Nc1nccs1)[*:1] NC(=O)c1ccc(cc1)-n1c(nc2ccsc2c1=O)SC[*:1]
NC(=O)c1ccc(-n2c(SCC(=O)Nc3nccs3)nc3ccsc3c2=O)cc1 NC(=O)[*:1] O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(cc1)[*:1])Nc1nccs1
NC(=O)c1ccc(-n2c(SCC(=O)Nc3nccs3)nc3ccsc3c2=O)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(CSc1nc2ccsc2c(=O)n1[*:1])Nc1nccs1
NC(=O)c1ccc(-n2c(SCC(=O)Nc3nccs3)nc3ccsc3c2=O)cc1 O=C(C[*:1])Nc1nccs1 NC(=O)c1ccc(cc1)-n1c(nc2ccsc2c1=O)S[*:1]
CCC[C@@H](C)C(=O)Nc1ccc(OC)nc1 CCC[C@@H](C)[*:1] COc1ccc(cn1)NC(=O)[*:1]
CCC[C@@H](C)C(=O)Nc1ccc(OC)nc1 CCC[*:1] COc1ccc(cn1)NC(=O)[C@H](C)[*:1]
C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C1 NS(=O)(=O)[*:1] C[C@H]1CCC[C@H](C)N(C1)C(=O)c1ccc(c(F)c1)[*:1]
C[C@@H](NC(=O)NC1(c2cccc(Br)c2)CC1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)NC1(CC1)c1cccc(Br)c1)[*:1]
C[C@@H](NC(=O)NC1(c2cccc(Br)c2)CC1)c1ccncc1 Brc1cccc(c1)[*:1] C[C@@H](NC(=O)NC1(CC1)[*:1])c1ccncc1
CO/N=C/c1ccc(C(=O)Nc2ccccc2CC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CO/N=C/c1ccc(cc1)C(=O)Nc1ccccc1C[*:1]
CO/N=C/c1ccc(C(=O)Nc2ccccc2CC(=O)N(C)C)cc1 CON=C[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)c1ccc(cc1)[*:1]
CO/N=C/c1ccc(C(=O)Nc2ccccc2CC(=O)N(C)C)cc1 CN(C)C(=O)C[*:1] CO/N=C/c1ccc(cc1)C(=O)Nc1ccccc1[*:1]
CN(C)C(=O)Nc1cccc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)c1 CN(C)C(=O)N[*:1] Clc1cc2c(CC[C@H]2[NH2+]Cc2cccc(c2)[*:1])s1
C[C@H](C(=O)Oc1ccc2cc(Br)ccc2c1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](C(=O)Oc1ccc2cc(Br)ccc2c1)[*:1]
CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)NC)oc2C)C1 CCS[*:1] CNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[C@@H](C2)[*:1])c(C)o1
CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)NC)oc2C)C1 CNS(=O)(=O)[*:1] CCS[C@H]1CC[C@@H](C1)N(C)C(=O)c1cc(oc1C)[*:1]
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)[*:1]
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)C(=O)NC(C)(C)C Clc1cccc(c1)[*:1] CC(C)[C@H](O[*:1])C(=O)N[C@H](C)C(=O)NC(C)(C)C
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)C(=O)NC(C)(C)C CC(C)(C)[*:1] CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)C(=O)N[*:1]
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)C(=O)NC(C)(C)C CC(C)[*:1] C[C@@H](NC(=O)[C@@H](Oc1cccc(Cl)c1)[*:1])C(=O)NC(C)(C)C
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)C(=O)NC(C)(C)C Clc1cccc(c1)O[*:1] CC(C)[C@H](C(=O)N[C@H](C)C(=O)NC(C)(C)C)[*:1]
COc1cc([N+](=O)[O-])ccc1Oc1cc([C@H](C)[NH3+])ccn1 O=[N+]([O-])[*:1] COc1cc(ccc1Oc1cc(ccn1)[C@H](C)[NH3+])[*:1]
CCc1cc(N[C@H]2CCC[C@H]2CO)nc(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] CCc1cc(nc(n1)-c1ccc(cc1)[*:1])N[C@H]1CCC[C@H]1CO
CCCCOC1=C(C(=O)N2CCOCC2)N(CCC)S(=O)(=O)c2ccccc21 CCCCO[*:1] CCCN1C(C(=O)N2CCOCC2)=C(c2ccccc2S1(=O)=O)[*:1]
CCCCOC1=C(C(=O)N2CCOCC2)N(CCC)S(=O)(=O)c2ccccc21 CCCC[*:1] CCCN1C(C(=O)N2CCOCC2)=C(O[*:1])c2ccccc2S1(=O)=O
CCCCOC1=C(C(=O)N2CCOCC2)N(CCC)S(=O)(=O)c2ccccc21 O=C(N1CCOCC1)[*:1] CCCCOC1=C(N(CCC)S(=O)(=O)c2ccccc21)[*:1]
CCCCOC1=C(C(=O)N2CCOCC2)N(CCC)S(=O)(=O)c2ccccc21 CCC[*:1] CCCN1C(C(=O)N2CCOCC2)=C(OC[*:1])c2ccccc2S1(=O)=O
CCCCOC1=C(C(=O)N2CCOCC2)N(CCC)S(=O)(=O)c2ccccc21 CCC[*:1] CCCCOC1=C(C(=O)N2CCOCC2)N(S(=O)(=O)c2ccccc21)[*:1]
OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2cccc(F)c2F)C1 C1CCN(CC1)[*:1] OC1C[C@H](c2cccc(F)c2F)c2sc(nc2N=1)[*:1]
OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2cccc(F)c2F)C1 Fc1cccc(c1F)[*:1] OC1C[C@H](c2sc(nc2N=1)N1CCCCC1)[*:1]
Cc1ccc(S(=O)(=O)NCNS(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)NCNS(=O)(=O)[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc2NC(=O)CCc2c1)[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccccn2)C2CCCC2)C1 c1ccc(nc1)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](C1CCCC1)[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccccn2)C2CCCC2)C1 C1CCC(C1)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](c1ccccn1)[*:1]
Cc1cc(C)n2nc(C(=O)N3CCC(c4nnsc4S(C)(=O)=O)CC3)cc2n1 CS(=O)(=O)c1snnc1[*:1] Cc1cc(C)n2nc(cc2n1)C(=O)N1CCC(CC1)[*:1]
Cc1cc(C)n2nc(C(=O)N3CCC(c4nnsc4S(C)(=O)=O)CC3)cc2n1 CS(=O)(=O)[*:1] Cc1cc(C)n2nc(cc2n1)C(=O)N1CCC(CC1)c1nnsc1[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2c(N)cccc2Cl)CC1 Nc1cccc(Cl)c1[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2c(N)cccc2Cl)CC1 Clc1ccc(c(Cl)c1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)c1c(N)cccc1Cl
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2c(N)cccc2Cl)CC1 Clc1ccc(O[*:1])c(Cl)c1 C[C@H](C(=O)N1CCN(CC1)c1c(N)cccc1Cl)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N(C)CCc1noc(-c2ccc(F)cc2)n1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N(C)CCc1noc(n1)-c1ccc(F)cc1
C[C@@H](Oc1ccccc1)C(=O)N(C)CCc1noc(-c2ccc(F)cc2)n1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)N(C)CCc1noc(n1)-c1ccc(F)cc1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N(C)CCc1noc(-c2ccc(F)cc2)n1 C[C@@H](Oc1ccccc1)[*:1] CN(CCc1noc(n1)-c1ccc(F)cc1)C(=O)[*:1]
C[C@@H](Oc1ccccc1)C(=O)N(C)CCc1noc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1)C(=O)N(C)CCc1noc(n1)[*:1]
Cc1cncc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])c1cccc(c1)C[NH+]1CCCC1
O=C(CCN1C(=O)CSc2ccccc21)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CCN1C(=O)CSc2ccccc21)Nc1cccc(c1)[*:1]
CC(=O)c1c(-c2ccccc2)c2c3n(c(CN(C(C)=O)c4ccc(F)cc4)nn13)CCCC2 Fc1ccc(cc1)[*:1] CC(=O)c1c(-c2ccccc2)c2CCCCn3c(CN(C(C)=O)[*:1])nn1c23
CC(=O)c1c(-c2ccccc2)c2c3n(c(CN(C(C)=O)c4ccc(F)cc4)nn13)CCCC2 c1ccc(cc1)[*:1] CC(=O)c1c(c2CCCCn3c(CN(C(C)=O)c4ccc(F)cc4)nn1c23)[*:1]
CC(=O)c1c(-c2ccccc2)c2c3n(c(CN(C(C)=O)c4ccc(F)cc4)nn13)CCCC2 CC(=O)N(c1ccc(F)cc1)[*:1] CC(=O)c1c(-c2ccccc2)c2CCCCn3c(C[*:1])nn1c23
CC(=O)c1c(-c2ccccc2)c2c3n(c(CN(C(C)=O)c4ccc(F)cc4)nn13)CCCC2 CC(=O)[*:1] CC(=O)N(Cc1nn2c(c(-c3ccccc3)c3CCCCn1c32)[*:1])c1ccc(F)cc1
C[C@H]1CC(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)C[C@H](C)O1 Clc1ccccc1[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
Cc1nc2sc([C@@H](c3ccccc3F)N3CCN(c4ccccc4)CC3)c(O)n2n1 Fc1ccccc1[*:1] Cc1nc2sc(c(O)n2n1)[C@@H](N1CCN(CC1)c1ccccc1)[*:1]
Cc1nc2sc([C@@H](c3ccccc3F)N3CCN(c4ccccc4)CC3)c(O)n2n1 c1ccc(cc1)[*:1] Cc1nc2sc(c(O)n2n1)[C@@H](c1ccccc1F)N1CCN(CC1)[*:1]
NC(=O)[C@H]1COCCN1C(=O)C1=COCCC1 NC(=O)[*:1] O=C(C1=COCCC1)N1CCOC[C@@H]1[*:1]
COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cc(F)c(C)cc1F COC(=O)[C@@H](C)NC(=O)[*:1] Cc1cc(F)c(cc1F)C(=O)Nc1cc(F)ccc1[*:1]
COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cc(F)c(C)cc1F COC(=O)[*:1] Cc1cc(F)c(cc1F)C(=O)Nc1cc(F)ccc1C(=O)N[C@H](C)[*:1]
COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cc(F)c(C)cc1F Cc1cc(F)c(cc1F)[*:1] COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] COC(=O)c1ccc(C(=O)OC)c(c1)NC(=O)[C@@H](C)[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)c2ccccc2)c1 COC(=O)[*:1] COC(=O)c1ccc(c(c1)NC(=O)[C@@H](C)c1ccccc1)[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)c2ccccc2)c1 COC(=O)[*:1] COC(=O)c1ccc(cc1NC(=O)[C@@H](C)c1ccccc1)[*:1]
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)c2ccccc2)c1 C[C@@H](c1ccccc1)[*:1] COC(=O)c1ccc(C(=O)OC)c(c1)NC(=O)[*:1]
COc1ccccc1C[NH2+]CC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COc1ccccc1C[NH2+]CC[*:1]
Cc1ccc(Cc2cnc(NC(=O)COc3cccc(C)c3)s2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)Cc1cnc(NC(=O)CO[*:1])s1
Cc1ccc(Cc2cnc(NC(=O)COc3cccc(C)c3)s2)cc1 Cc1cccc(c1)O[*:1] Cc1ccc(cc1)Cc1cnc(NC(=O)C[*:1])s1
Cc1ccc(Cc2cnc(NC(=O)COc3cccc(C)c3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)Nc1ncc(C[*:1])s1
Cc1ccc(Cc2cnc(NC(=O)COc3cccc(C)c3)s2)cc1 Cc1ccc(cc1)C[*:1] Cc1cccc(c1)OCC(=O)Nc1ncc(s1)[*:1]
COCCC(=O)N[C@H](C)CC(=O)[O-] COC[*:1] C[C@H](CC(=O)[O-])NC(=O)C[*:1]
COCCC(=O)N[C@H](C)CC(=O)[O-] COCC[*:1] C[C@H](CC(=O)[O-])NC(=O)[*:1]
COCCC(=O)N[C@H](C)CC(=O)[O-] O=C([O-])C[*:1] COCCC(=O)N[C@H](C)[*:1]
COCCC(=O)N[C@H](C)CC(=O)[O-] O=C([O-])[*:1] COCCC(=O)N[C@H](C)C[*:1]
COc1ccccc1N1CC[C@H](N[C@H](C)c2ccc(F)cn2)C1=O COc1ccccc1[*:1] C[C@@H](N[C@H]1CCN(C1=O)[*:1])c1ccc(F)cn1
COc1ccccc1N1CC[C@H](N[C@H](C)c2ccc(F)cn2)C1=O Fc1ccc(nc1)[*:1] COc1ccccc1N1CC[C@H](N[C@H](C)[*:1])C1=O
C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[*:1]
CC(C)[C@@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 CC(C)[*:1] C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)[*:1]
CC(C)[C@@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 C1CC1[*:1] CC(C)[C@@H](C)[NH2+][C@H](C(=O)N[*:1])c1ccccc1
CC(C)[C@@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C)[NH2+][C@H](C(=O)NC1CC1)[*:1]
CC(C)[C@@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 O=C(NC1CC1)[*:1] CC(C)[C@@H](C)[NH2+][C@H](c1ccccc1)[*:1]
C[C@@H](Sc1nnc(CN2CCCC2=O)o1)c1ccc(F)c(F)c1 O=C1CCCN1[*:1] C[C@@H](Sc1nnc(C[*:1])o1)c1ccc(F)c(F)c1
C[C@@H](Sc1nnc(CN2CCCC2=O)o1)c1ccc(F)c(F)c1 O=C1CCCN1C[*:1] C[C@@H](Sc1nnc(o1)[*:1])c1ccc(F)c(F)c1
COC(=O)c1ccc(CSc2nncn2-c2ccccc2OC)cc1 COc1ccccc1[*:1] COC(=O)c1ccc(cc1)CSc1nncn1[*:1]
COC(=O)c1ccc(CSc2nncn2-c2ccccc2OC)cc1 COC(=O)[*:1] COc1ccccc1-n1cnnc1SCc1ccc(cc1)[*:1]
CCOc1ccccc1C1=CCN(C(=O)[C@@H](C)Sc2ccccn2)CC1 c1ccc(nc1)[*:1] CCOc1ccccc1C1=CCN(CC1)C(=O)[C@@H](C)S[*:1]
CCOc1ccccc1C1=CCN(C(=O)[C@@H](C)Sc2ccccn2)CC1 c1ccc(nc1)S[*:1] CCOc1ccccc1C1=CCN(CC1)C(=O)[C@@H](C)[*:1]
CCOc1ccccc1C1=CCN(C(=O)[C@@H](C)Sc2ccccn2)CC1 CCO[*:1] C[C@@H](Sc1ccccn1)C(=O)N1CC=C(CC1)c1ccccc1[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](n2c(CCl)nc3cccnc32)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H](C1)n1c(CCl)nc2cccnc21
NC(=O)NCC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 NC(=O)N[*:1] O=C(C[*:1])Nc1cccc(c1)-c1ccc2OCCc2c1
NC(=O)NCC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 NC(=O)NC[*:1] O=C(Nc1cccc(c1)-c1ccc2OCCc2c1)[*:1]
Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)NC1CCCCC1 O=[N+]([O-])[*:1] Cc1c(Cl)c(nn1CCCC(=O)NC1CCCCC1)[*:1]
Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1c(Cl)c(nn1CCCC(=O)N[*:1])[N+](=O)[O-]
CCOc1ccc(OCC)c(N2CCC([NH2+]C)CC2)c1 CCO[*:1] CCOc1ccc(cc1N1CCC(CC1)[NH2+]C)[*:1]
CCOc1ccc(OCC)c(N2CCC([NH2+]C)CC2)c1 CCO[*:1] CCOc1ccc(c(c1)N1CCC(CC1)[NH2+]C)[*:1]
CC[C@H](NC(=O)N[C@@H]1CCCc2ccc(F)cc21)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@H](NC(=O)N[C@@H]1CCCc2ccc(F)cc21)[*:1]
COc1cc(C)c(C(=O)N[C@@H](CO)c2ccccc2F)cc1OC Fc1ccccc1[*:1] COc1cc(C)c(cc1OC)C(=O)N[C@@H](CO)[*:1]
CN(CCc1noc(C2CCCCC2)n1)C(=O)c1cccc(N(C)C)c1 C1CCC(CC1)[*:1] CN(CCc1noc(n1)[*:1])C(=O)c1cccc(c1)N(C)C
CN(CCc1noc(C2CCCCC2)n1)C(=O)c1cccc(N(C)C)c1 CN(C)[*:1] CN(CCc1noc(n1)C1CCCCC1)C(=O)c1cccc(c1)[*:1]
O=[S@](Cc1ccc(F)c(F)c1)Cc1ncc(-c2ccc(F)cc2)o1 Fc1ccc(cc1F)[*:1] O=[S@@](Cc1ncc(o1)-c1ccc(F)cc1)C[*:1]
O=[S@](Cc1ccc(F)c(F)c1)Cc1ncc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=[S@](Cc1ccc(F)c(F)c1)Cc1ncc(o1)[*:1]
Cc1ccnc(NC(=O)C[NH+](C)Cc2cc(C)n(C3CC3)c2C)c1 Cc1ccnc(c1)[*:1] Cc1cc(C[NH+](C)CC(=O)N[*:1])c(C)n1C1CC1
Cc1ccnc(NC(=O)C[NH+](C)Cc2cc(C)n(C3CC3)c2C)c1 C1CC1[*:1] Cc1ccnc(c1)NC(=O)C[NH+](C)Cc1cc(C)n(c1C)[*:1]
Cc1cccc([C@@H](Nc2nccc(C)n2)C2CC2)n1 C1CC1[*:1] Cc1cccc(n1)[C@@H](Nc1nccc(C)n1)[*:1]
C[C@@H](Nc1ncnc2cc(-c3ccc(F)cc3)sc12)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](Nc1ncnc2cc(sc12)-c1ccc(F)cc1)c1ccc(cc1)[*:1]
C[C@@H](Nc1ncnc2cc(-c3ccc(F)cc3)sc12)c1ccc(-n2ccnc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Nc1ncnc2cc(sc12)[*:1])c1ccc(cc1)-n1ccnc1
O=C(NN/C(=C\C(=O)c1cccs1)C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C(\NNC(=O)[*:1])C(F)(F)F)c1cccs1
O=C(NN/C(=C\C(=O)c1cccs1)C(F)(F)F)c1ccccc1 c1csc(c1)[*:1] O=C(NN/C(=C\C(=O)[*:1])C(F)(F)F)c1ccccc1
O=C(NN/C(=C\C(=O)c1cccs1)C(F)(F)F)c1ccccc1 O=C(c1cccs1)[*:1] O=C(NNC(=C[*:1])C(F)(F)F)c1ccccc1
O=C(NN/C(=C\C(=O)c1cccs1)C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] O=C(NN/C(=C\C(=O)c1cccs1)[*:1])c1ccccc1
CC(C)(C)c1nc(CN2CCN(C(=O)c3cccc(O)c3)CC2)no1 Oc1cccc(c1)[*:1] CC(C)(C)c1nc(CN2CCN(CC2)C(=O)[*:1])no1
CC(C)(C)c1nc(CN2CCN(C(=O)c3cccc(O)c3)CC2)no1 CC(C)(C)[*:1] O=C(c1cccc(O)c1)N1CCN(CC1)Cc1noc(n1)[*:1]
O=C(Nc1ccncc1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 c1cc(ccn1)[*:1] O=C(N[*:1])N1CCN(CC1)CC(=O)N1CCCc2ccccc21
O=C(NCc1cccc(OCC(F)F)n1)N[C@@H]1CC(=O)N(C2CC2)C1 FC(F)C[*:1] O=C(NCc1cccc(n1)O[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
O=C(NCc1cccc(OCC(F)F)n1)N[C@@H]1CC(=O)N(C2CC2)C1 FC(F)CO[*:1] O=C(NCc1cccc(n1)[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
O=C(NCc1cccc(OCC(F)F)n1)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(NCc1cccc(n1)OCC(F)F)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCc1cccc(OCC(F)F)n1)N[C@@H]1CC(=O)N(C2CC2)C1 FC(F)[*:1] O=C(NCc1cccc(n1)OC[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
CC(C)C[C@H](CNC(=O)[C@H]1CC(=O)Nc2ccccc21)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)Nc2ccccc21)C[*:1]
CC(C)C[C@H](CNC(=O)[C@H]1CC(=O)Nc2ccccc21)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)Nc2ccccc21)[*:1]
Cc1ccccc1COC1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 Cc1ccccc1[*:1] O=C(C[C@H]1OCCc2ccccc21)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 Cc1ccccc1C[*:1] O=C(C[C@H]1OCCc2ccccc21)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 Cc1ccccc1CO[*:1] O=C(C[C@H]1OCCc2ccccc21)N1CCC(CC1)[*:1]
CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 CCC[*:1] O=C(N[*:1])[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
CCN(C(=O)COc1ccccc1C(=O)NC)C1CC1 CNC(=O)[*:1] CCN(C(=O)COc1ccccc1[*:1])C1CC1
CCN(C(=O)COc1ccccc1C(=O)NC)C1CC1 C1CC1[*:1] CCN(C(=O)COc1ccccc1C(=O)NC)[*:1]
Cc1ccc(NC(=O)[C@H](C)Oc2cc3c(C)cc(=O)oc3cc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc2oc(=O)cc(C)c2cc1O[C@@H](C)C(=O)N[*:1]
O=C(Cn1cccc1C(=O)[O-])Nc1ccc(CCO)cc1 O=C([O-])[*:1] O=C(Cn1cccc1[*:1])Nc1ccc(cc1)CCO
O=C(Cn1cccc1C(=O)[O-])Nc1ccc(CCO)cc1 OCC[*:1] O=C(Cn1cccc1C(=O)[O-])Nc1ccc(cc1)[*:1]
CCOC[C@@H]1CCN(C(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)C1 CCOC[*:1] Cc1ccc(cc1)[C@H]1OCCC[C@@H]1CNC(=O)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)C1 CCO[*:1] Cc1ccc(cc1)[C@H]1OCCC[C@@H]1CNC(=O)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)NC[C@H]1CCCO[C@H]1[*:1]
CCN(Cc1ccccn1)S(=O)(=O)Cc1ccon1 c1cc(C[*:1])no1 CCN(Cc1ccccn1)S(=O)(=O)[*:1]
CCN(Cc1ccccn1)S(=O)(=O)Cc1ccon1 c1cc(no1)[*:1] CCN(Cc1ccccn1)S(=O)(=O)C[*:1]
CCN(Cc1ccccn1)S(=O)(=O)Cc1ccon1 c1ccc(nc1)[*:1] CCN(C[*:1])S(=O)(=O)Cc1ccon1
C[NH+](C)[C@H](CNc1ncccc1C#N)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H](CNc1ncccc1C#N)[*:1]
C[NH+](C)[C@H](CNc1ncccc1C#N)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNc1ncccc1C#N)C[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)NCC(=O)NC2CC2)c1 O=C(C[*:1])NC1CC1 CNC(=O)c1ccc(Cl)c(c1)NC(=O)N[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)NCC(=O)NC2CC2)c1 CNC(=O)[*:1] O=C(CNC(=O)Nc1cc(ccc1Cl)[*:1])NC1CC1
CNC(=O)c1ccc(Cl)c(NC(=O)NCC(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)NC[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)NCC(=O)NC2CC2)c1 C1CC1[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)NCC(=O)N[*:1]
CC(C)[C@@H](C)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])C[*:1] CC(C)[C@@H](C)NC(=O)N1CCO[C@H](C1)[*:1]
CC(C)[C@@H](C)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 CC(C)[C@@H](C)[*:1] O=C([O-])C[C@@H]1CN(CCO1)C(=O)N[*:1]
CC(C)[C@@H](C)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])[*:1] CC(C)[C@@H](C)NC(=O)N1CCO[C@@H](C1)C[*:1]
CC(C)[C@@H](C)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 CC(C)[*:1] C[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)[*:1]
COc1ccccc1C[NH+]1CCN(C(=O)COc2cccc(C)c2)CC1 Cc1cccc(c1)O[*:1] COc1ccccc1C[NH+]1CCN(CC1)C(=O)C[*:1]
COc1ccccc1C[NH+]1CCN(C(=O)COc2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] COc1ccccc1C[NH+]1CCN(CC1)C(=O)CO[*:1]
COc1ccccc1C[NH+]1CCN(C(=O)COc2cccc(C)c2)CC1 COc1ccccc1[*:1] Cc1cccc(c1)OCC(=O)N1CC[NH+](CC1)C[*:1]
COc1ccc(C)cc1C1(CNC(=O)N2CCOCC[C@@H]2C)CCOCC1 COc1ccc(C)cc1[*:1] C[C@H]1CCOCCN1C(=O)NCC1(CCOCC1)[*:1]
Cc1cc(O[C@@H](C)C(=O)NCc2n[nH]c(=S)n2C)ccc1Cl Cn1c(n[nH]c1=S)[*:1] Cc1cc(ccc1Cl)O[C@@H](C)C(=O)NC[*:1]
Cc1cccc(C)c1NC(=O)[C@@H](C)[S@](=O)Cc1ncc(Cl)n1C Cn1c(Cl)cnc1[*:1] Cc1cccc(C)c1NC(=O)[C@@H](C)[S@](=O)C[*:1]
COC[C@H](C)n1cc(Br)c(I)n1 COC[*:1] C[C@H](n1cc(Br)c(I)n1)[*:1]
N#CCC[NH+](CCCCS)C1CC1 N#CC[*:1] SCCCC[NH+](C[*:1])C1CC1
N#CCC[NH+](CCCCS)C1CC1 SCC[*:1] N#CCC[NH+](CC[*:1])C1CC1
N#CCC[NH+](CCCCS)C1CC1 N#CCC[*:1] SCCCC[NH+](C1CC1)[*:1]
N#CCC[NH+](CCCCS)C1CC1 C1CC1[*:1] N#CCC[NH+](CCCCS)[*:1]
N#CCC[NH+](CCCCS)C1CC1 SCCC[*:1] N#CCC[NH+](C[*:1])C1CC1
CCc1cccc(NC(=O)CS(=O)(=O)c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] CCc1cccc(c1)NC(=O)CS(=O)(=O)[*:1]
CCc1nc(COC(=O)C2=Cc3ccccc3OC2)cs1 CCc1nc(cs1)[*:1] O=C(OC[*:1])C1=Cc2ccccc2OC1
CCCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccccc1F)S2 CCC[*:1] COc1ccc(cc1Cl)[C@@H]1Nn2c(nnc2[*:1])S[C@H]1C(=O)Nc1ccccc1F
CCCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccccc1F)S2 COc1ccc(cc1Cl)[*:1] CCCc1nnc2S[C@@H](C(=O)Nc3ccccc3F)[C@H](Nn12)[*:1]
CCCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccccc1F)S2 O=C(Nc1ccccc1F)[*:1] CCCc1nnc2S[C@@H]([C@@H](Nn12)c1ccc(OC)c(Cl)c1)[*:1]
CCCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccccc1F)S2 Fc1ccccc1[*:1] CCCc1nnc2S[C@@H](C(=O)N[*:1])[C@@H](Nn12)c1ccc(OC)c(Cl)c1
N#CCn1nc(-c2ccc(Cl)cc2)c2c1-c1ccccc1C2 N#CC[*:1] Clc1ccc(cc1)-c1nn(c2-c3ccccc3Cc12)[*:1]
N#CCn1nc(-c2ccc(Cl)cc2)c2c1-c1ccccc1C2 Clc1ccc(cc1)[*:1] N#CCn1nc(c2Cc3ccccc3-c21)[*:1]
N#Cc1ccccc1CSc1nnnn1-c1ccc(O)cc1 Oc1ccc(cc1)[*:1] N#Cc1ccccc1CSc1nnnn1[*:1]
C[C@H](NC(=O)CSc1ccccc1)c1cccc(OC(F)F)c1 c1ccc(cc1)S[*:1] C[C@H](NC(=O)C[*:1])c1cccc(c1)OC(F)F
C[C@H](NC(=O)CSc1ccccc1)c1cccc(OC(F)F)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CS[*:1])c1cccc(c1)OC(F)F
C[C@H](NC(=O)CSc1ccccc1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H](NC(=O)CSc1ccccc1)c1cccc(c1)[*:1]
C[C@H](NC(=O)CSc1ccccc1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H](NC(=O)CSc1ccccc1)c1cccc(c1)O[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1 C1CCc2sc(nc2C1)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)Nc1nc2CCCCc2s1)[*:1]
Clc1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)cc1 Clc1ccc(cc1)[*:1] c1nc(c2cnn(C[*:1])c2n1)N1CCCCC1
Clc1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)cc1 C1CCN(CC1)[*:1] Clc1ccc(cc1)Cn1ncc2c(ncnc21)[*:1]
CCc1csc(N[C@H](CO)C(C)C)n1 CC(C)[*:1] CCc1csc(n1)N[C@H](CO)[*:1]
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 O=[N+]([O-])[*:1] Cc1cc(ccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12)[*:1]
COC(=O)[C@H]1CCc2c[nH+]cn2C1 COC(=O)[*:1] c1[nH+]cn2C[C@H](CCc12)[*:1]
COC1CC[NH+](CCNC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] COC1CC[NH+](CCNC(=O)/C=C(/C)c2ccc(cc2)[*:1])CC1
CCCCN(C)C(=O)C1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1[*:1] CCCCN(C)C(=O)C1CCN(CC1)C(=O)C=C[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 CCCC[*:1] CN(C(=O)C1CCN(CC1)C(=O)/C=C/c1c(Cl)cccc1Cl)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 CCCCN(C)C(=O)[*:1] O=C(/C=C/c1c(Cl)cccc1Cl)N1CCC(CC1)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 CCC[*:1] CN(C[*:1])C(=O)C1CCN(CC1)C(=O)/C=C/c1c(Cl)cccc1Cl
[NH3+]C[C@H](Cc1ccccc1)Cc1cccc(O)c1 c1ccc(cc1)[*:1] [NH3+]C[C@@H](Cc1cccc(O)c1)C[*:1]
COc1ccc(COCc2c(-c3ccccc3)nn(C)c2Cl)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)COCc1c(nn(C)c1Cl)[*:1]
COc1ccc(COCc2c(-c3ccccc3)nn(C)c2Cl)cc1 COc1ccc(cc1)[*:1] Cn1nc(-c2ccccc2)c(COC[*:1])c1Cl
Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)N1CCC[C@@H](O)C1 c1ccc(cc1)[*:1] Cc1c(nn(c1NC(=O)N1CCC[C@@H](O)C1)[*:1])C1CC1
Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)N1CCC[C@@H](O)C1 C1CC1[*:1] Cc1c(nn(-c2ccccc2)c1NC(=O)N1CCC[C@@H](O)C1)[*:1]
CCC[NH2+][C@@H](C)c1cccn1Cc1cnn(CC)c1 CCC[*:1] CCn1cc(cn1)Cn1cccc1[C@H](C)[NH2+][*:1]
O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)Nc1ccc2OCOc2c1
O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Cc1ccccc1)Nc1ccccc1C(=O)N[*:1]
O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] O=C(Nc1ccc2OCOc2c1)c1ccccc1NC(=O)[*:1]
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(F)cc1O Oc1cc(F)ccc1[*:1] Cc1cc(ccc1NC(=O)[*:1])C(=O)N1CCCC1
Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(F)cc1O O=C(N1CCCC1)[*:1] Cc1cc(ccc1NC(=O)c1ccc(F)cc1O)[*:1]
CC(C)(C)c1cc(C(=O)Oc2ccc3c(c2)OCCO3)[nH]n1 CC(C)(C)[*:1] O=C(Oc1ccc2OCCOc2c1)c1cc(n[nH]1)[*:1]
COCCN1CCN(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2)CC1=O COCC[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2)CC1=O COC[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)N1CCN(C[*:1])C(=O)C1
COCCN1CCN(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2)CC1=O c1ccc(cc1)[*:1] COCCN1CCN(CC1=O)C(=O)N[C@H]1C[C@@H](C)N(C1)[*:1]
COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCCc2ccccc21 CC(=O)[*:1] COc1cc(ccc1OC[C@H](O)CN1CCCc2ccccc21)[*:1]
CS(=O)(=O)c1cccc(NCc2cccc(CO)c2)c1[N+](=O)[O-] CS(=O)(=O)[*:1] O=[N+]([O-])c1c(cccc1[*:1])NCc1cccc(c1)CO
CS(=O)(=O)c1cccc(NCc2cccc(CO)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CS(=O)(=O)c1cccc(NCc2cccc(c2)CO)c1[*:1]
CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 O=[N+]([O-])[*:1] CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(Cl)cc1[*:1])C1CC1
CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 CC[C@@H](C)[*:1] C[C@H](N(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1)[*:1]
CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 C1CC1[*:1] CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[*:1]
c1csc(CN2CC[C@H](c3nc4ncccc4[nH]3)C2)c1 c1csc(c1)[*:1] c1cnc2nc([nH]c2c1)[C@H]1CCN(C1)C[*:1]
c1csc(CN2CC[C@H](c3nc4ncccc4[nH]3)C2)c1 c1csc(c1)C[*:1] c1cnc2nc([nH]c2c1)[C@H]1CCN(C1)[*:1]
CCc1nn(C)cc1CNc1cc(OC)cc(F)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)cc1CNc1cc(cc(F)c1[*:1])OC
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc(F)c(F)c1F C1CN(CCO1)[*:1] O=C(NC[C@H](c1ccc2OCOc2c1)[*:1])c1ccc(F)c(F)c1F
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc(F)c(F)c1F c1cc2OCOc2cc1[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1ccc(F)c(F)c1F
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc(F)c(F)c1F Fc1ccc(c(F)c1F)[*:1] O=C(NC[C@H](c1ccc2OCOc2c1)N1CCOCC1)[*:1]
CC(=O)N1CCC(C(=O)NC[C@H](C)Oc2ccccc2F)CC1 Fc1ccccc1[*:1] CC(=O)N1CCC(CC1)C(=O)NC[C@H](C)O[*:1]
Cc1cccc(CSCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 Cc1cccc(c1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)CSC[*:1]
COC(=O)C(C)(C)CNc1cc(OC)cc(F)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)C(C)(C)CNc1cc(cc(F)c1[*:1])OC
COC(=O)C(C)(C)CNc1cc(OC)cc(F)c1[N+](=O)[O-] COC(=O)C(C)(C)[*:1] COc1cc(F)c(c(c1)NC[*:1])[N+](=O)[O-]
COC(=O)C(C)(C)CNc1cc(OC)cc(F)c1[N+](=O)[O-] COC(=O)[*:1] COc1cc(F)c(c(c1)NCC(C)(C)[*:1])[N+](=O)[O-]
C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 O=C(NC1CC1)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1ccc(cc1)[*:1])c1ccccc1
C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1
C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1ccc(cc1)C(=O)NC1CC1)[*:1]
Cc1cccnc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 c1ccc(cc1)C[*:1] Cc1cccnc1C[NH+]1CCC(CC1)C(=O)N(C1CC1)[*:1]
Cc1cccnc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 C1CC1[*:1] Cc1cccnc1C[NH+]1CCC(CC1)C(=O)N(Cc1ccccc1)[*:1]
Cc1cccnc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 c1ccc(cc1)[*:1] Cc1cccnc1C[NH+]1CCC(CC1)C(=O)N(C[*:1])C1CC1
Cc1cccnc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 Cc1cccnc1C[*:1] O=C(C1CC[NH+](CC1)[*:1])N(Cc1ccccc1)C1CC1
Cc1cccnc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 Cc1cccnc1[*:1] O=C(C1CC[NH+](CC1)C[*:1])N(Cc1ccccc1)C1CC1
Cc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4cc(Br)ccc34)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc12)[NH+]1CCN(CC1)[*:1]
COC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(S(N)(=O)=O)ccc21 Clc1ccc(cc1)OC[*:1] COC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(N)(=O)=O
COC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(S(N)(=O)=O)ccc21 Clc1ccc(cc1)[*:1] COC(=O)Cn1/c(=N/C(=O)CO[*:1])sc2cc(ccc21)S(N)(=O)=O
COC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(S(N)(=O)=O)ccc21 Clc1ccc(cc1)O[*:1] COC(=O)Cn1/c(=N/C(=O)C[*:1])sc2cc(ccc21)S(N)(=O)=O
COC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] COC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(ccc21)[*:1]
COC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(S(N)(=O)=O)ccc21 COC(=O)C[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)COc1ccc(Cl)cc1)n2[*:1]
COC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(S(N)(=O)=O)ccc21 COC(=O)[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)COc1ccc(Cl)cc1)n2C[*:1]
CCCCc1c(C)nc2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)nn2c1C CCCC[*:1] Cc1nc2nc(nn2c(C)c1[*:1])SCC(=O)N[C@H]1CCCC[C@@H]1C
CCCCc1c(C)nc2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)nn2c1C CCC[*:1] Cc1nc2nc(nn2c(C)c1C[*:1])SCC(=O)N[C@H]1CCCC[C@@H]1C
CCOc1ccccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] CCO[*:1] O=C(Nc1ccccc1[*:1])c1cc(F)ccc1[N+](=O)[O-]
CCOc1ccccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccccc1NC(=O)c1cc(F)ccc1[*:1]
Cc1noc(CNC(=O)[C@@H]2CCCN(c3nc4c(F)cccc4s3)C2)n1 Cc1noc(n1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nc2c(F)cccc2s1
Cc1noc(CNC(=O)[C@@H]2CCCN(c3nc4c(F)cccc4s3)C2)n1 Cc1noc(C[*:1])n1 O=C(N[*:1])[C@@H]1CCCN(C1)c1nc2c(F)cccc2s1
CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)c1cc(C2CC2)[nH]n1 CC(C)[*:1] C[C@H]1CC[C@@H]([C@@H](C1)NC(=O)c1cc([nH]n1)C1CC1)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)c1cc(C2CC2)[nH]n1 C1CC1[*:1] CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)c1cc([nH]n1)[*:1]
Cc1ccc(SCCC(=O)NC[C@](C)(O)c2cnn(C)c2)cc1C Cn1cc(cn1)[*:1] Cc1ccc(cc1C)SCCC(=O)NC[C@](C)(O)[*:1]
Cc1ccc(SCCC(=O)NC[C@](C)(O)c2cnn(C)c2)cc1C Cc1ccc(cc1C)[*:1] Cn1cc(cn1)[C@@](C)(O)CNC(=O)CCS[*:1]
CC(C)[C@H](C[NH+](C)C)NCc1ccc(O)cn1 CC(C)[*:1] C[NH+](C)C[C@H](NCc1ccc(O)cn1)[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[*:1]
COc1ccc([C@H]2O[C@@H]2C(=O)[O-])cc1Oc1ccccc1 c1ccc(cc1)O[*:1] COc1ccc(cc1[*:1])[C@H]1O[C@@H]1C(=O)[O-]
COc1ccc([C@H]2O[C@@H]2C(=O)[O-])cc1Oc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1O[*:1])[C@H]1O[C@@H]1C(=O)[O-]
CC(C)C[NH+]1CCN(C(=O)NCc2cccnc2-n2cncn2)CC1 c1ncn(n1)[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)NCc1cccnc1[*:1]
CC(C)C[NH+]1CCN(C(=O)NCc2cccnc2-n2cncn2)CC1 CC(C)[*:1] O=C(NCc1cccnc1-n1cncn1)N1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN(C(=O)NCc2cccnc2-n2cncn2)CC1 CC(C)C[*:1] O=C(NCc1cccnc1-n1cncn1)N1CC[NH+](CC1)[*:1]
Cn1c(CCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21 Clc1ccc(cc1)O[*:1] Cn1c(CCNC(=O)C[*:1])nc2ccccc21
Cn1c(CCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21 Clc1ccc(cc1)[*:1] Cn1c(CCNC(=O)CO[*:1])nc2ccccc21
O=C(CN1CCCCCC1=O)N[C@@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(CN1CCCCCC1=O)N[C@@H](c1ccco1)[*:1]
O=C(CN1CCCCCC1=O)N[C@@H](c1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(CN1CCCCCC1=O)N[C@@H](c1ccccc1)[*:1]
O=C(CN1CCCCCC1=O)N[C@@H](c1ccccc1)c1ccco1 O=C1CCCCCN1[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)c1ccco1
CC[NH+]1CCC(N(C)CC(=O)Nc2ccccc2Br)CC1 Brc1ccccc1[*:1] CC[NH+]1CCC(CC1)N(C)CC(=O)N[*:1]
CC[C@H](CSC)N(C)C(=O)c1cc(C(C)C)nn1CC CC(C)[*:1] CC[C@H](CSC)N(C)C(=O)c1cc(nn1CC)[*:1]
CC[C@H](CSC)N(C)C(=O)c1cc(C(C)C)nn1CC CSC[*:1] CC[C@H](N(C)C(=O)c1cc(nn1CC)C(C)C)[*:1]
NNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 NNC(=O)[*:1] O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[*:1]
NNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 NNC(=O)C[*:1] O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[*:1]
Cc1cc(C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)c2c(C)noc2n1 CN(C)C(=O)[*:1] Cc1cc(C(=O)Nc2ccc(C)c(c2)[*:1])c2c(C)noc2n1
CSc1ncc(C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc34)CC2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1ncc(C(=O)N2CCN(CC2)c2cc[nH+]c3cc(Cl)ccc23)n1[*:1]
C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 C[C@@H]1C[C@H]1[*:1] O=C(N[*:1])[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
C/[NH+]=C(\NCc1cccc([N+]2=CCCC2)c1)NC[C@H]1Cc2ccccc2O1 c1ccc2O[C@H](Cc2c1)[*:1] C/[NH+]=C(\NCc1cccc(c1)[N+]1=CCCC1)NC[*:1]
O=C(CCC1CCCC1)NC[C@@H]1COc2ccccc2C1 C1CCC(C1)C[*:1] O=C(C[*:1])NC[C@@H]1COc2ccccc2C1
O=C(CCC1CCCC1)NC[C@@H]1COc2ccccc2C1 C1CCC(C1)[*:1] O=C(CC[*:1])NC[C@@H]1COc2ccccc2C1
O=C(CCC1CCCC1)NC[C@@H]1COc2ccccc2C1 C1CCC(C1)CC[*:1] O=C(NC[C@@H]1COc2ccccc2C1)[*:1]
CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F CC[C@@H](C)[*:1] O=S(=O)(Nc1ccccc1[*:1])c1ccc(Cl)cc1F
N#Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] O=C1[C@@H]2ON(c3ccccc3)[C@H]([C@H]2C(=O)N1c1ccccc1)[*:1]
N#Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)[C@H]1[C@H]2C(=O)N(C(=O)[C@@H]2ON1c1ccccc1)[*:1]
N#Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)[C@H]1[C@H]2C(=O)N(C(=O)[C@@H]2ON1[*:1])c1ccccc1
CNC(=O)c1ccc(/C=C/C(=O)Oc2cccc(NC(=O)C3CC3)c2)cc1 CNC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Oc1cccc(c1)NC(=O)C1CC1
CNC(=O)c1ccc(/C=C/C(=O)Oc2cccc(NC(=O)C3CC3)c2)cc1 O=C(N[*:1])C1CC1 CNC(=O)c1ccc(/C=C/C(=O)Oc2cccc(c2)[*:1])cc1
CNC(=O)c1ccc(/C=C/C(=O)Oc2cccc(NC(=O)C3CC3)c2)cc1 C1CC1[*:1] CNC(=O)c1ccc(/C=C/C(=O)Oc2cccc(c2)NC(=O)[*:1])cc1
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NC3CC3)cc2)cc1 CC(=O)N[*:1] O=C(NC1CC1)c1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NC3CC3)cc2)cc1 O=C(NC1CC1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NC3CC3)cc2)cc1 C1CC1[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)N[*:1]
Cc1ccc(N[C@@H](C[NH3+])C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)N[C@@H](C[NH3+])[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)N[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)NC[C@H]1CCCO1 Fc1cccc(c1)[*:1] C[C@@H](CC[*:1])C(=O)NNC(=O)NC[C@H]1CCCO1
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)NC[C@H]1CCCO1 Fc1cccc(c1)C[*:1] C[C@@H](C[*:1])C(=O)NNC(=O)NC[C@H]1CCCO1
C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)NC[*:1]
C=CCN1C(=O)[C@]2(N[C@@H](CC)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)c2ccccc21 C=CC[*:1] CC[C@@H]1N[C@]2(C(=O)N(c3ccccc32)[*:1])[C@@H]2C(=O)N(C(=O)[C@H]12)c1ccc(Br)cc1
C=CCN1C(=O)[C@]2(N[C@@H](CC)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)c2ccccc21 Brc1ccc(cc1)[*:1] C=CCN1C(=O)[C@]2(N[C@@H](CC)[C@H]3C(=O)N(C(=O)[C@H]32)[*:1])c2ccccc21
C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 Brc1ccc(cc1)O[*:1] C[C@H](C(=O)N[C@H](C)c1ccc(cc1)-n1ccnc1)[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 Brc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N[C@H](C)c1ccc(cc1)-n1ccnc1
Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)-n1c(=O)c2ccccc2n(C[*:1])c1=O
Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1[*:1]
Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1 Clc1ccccc1C[*:1] Cc1ccc(cc1)-n1c(=O)c2ccccc2n(c1=O)[*:1]
CO[C@@]1(C)C[C@H](NC(=O)Cn2ccnc2)C1(C)C c1cn(cn1)[*:1] CO[C@@]1(C)C[C@H](NC(=O)C[*:1])C1(C)C
CO[C@@]1(C)C[C@H](NC(=O)Cn2ccnc2)C1(C)C c1cn(cn1)C[*:1] CO[C@@]1(C)C[C@H](NC(=O)[*:1])C1(C)C
Cc1ccccc1CCNC(=O)C[S@@](=O)Cc1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] Cc1ccccc1CCNC(=O)C[S@@](=O)C[*:1]
Cc1ccccc1CCNC(=O)C[S@@](=O)Cc1nc(C)c(C)s1 Cc1ccccc1[*:1] Cc1nc(C[S@](=O)CC(=O)NCC[*:1])sc1C
O=C(COc1ccccc1Cl)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(COc1ccccc1Cl)N1CCC(CC1)OC[*:1]
O=C(COc1ccccc1Cl)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(COc1ccccc1Cl)N1CCC(CC1)O[*:1]
O=C(COc1ccccc1Cl)N1CCC(OCc2ccc(F)cc2)CC1 Clc1ccccc1O[*:1] O=C(C[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(COc1ccccc1Cl)N1CCC(OCc2ccc(F)cc2)CC1 Clc1ccccc1[*:1] O=C(CO[*:1])N1CCC(CC1)OCc1ccc(F)cc1
NC(=O)C1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 NC(=O)[*:1] O=C([C@H]1CCCc2ccccc21)N1CCC(CC1)[*:1]
C[C@H](SCc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc2c(c1)CCC2 c1ccc(cc1)[*:1] C[C@H](SCc1cnn(c1)[*:1])C(=O)Nc1ccc2CCCc2c1
C[C@H](SCc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] C[C@H](SCc1cnn(c1)-c1ccccc1)C(=O)N[*:1]
Cc1ccc([C@H](C)NC(=O)N2CCC(OCc3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCC(CC1)OCc1ccccc1)[*:1]
Cc1ccc([C@H](C)NC(=O)N2CCC(OCc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)[C@H](C)NC(=O)N1CCC(CC1)O[*:1]
Cc1ccc([C@H](C)NC(=O)N2CCC(OCc3ccccc3)CC2)cc1 c1ccc(cc1)CO[*:1] Cc1ccc(cc1)[C@H](C)NC(=O)N1CCC(CC1)[*:1]
Cc1ccc([C@H](C)NC(=O)N2CCC(OCc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](C)NC(=O)N1CCC(CC1)OC[*:1]
Cc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)c1 Clc1cccc(c1)C[*:1] Cc1cccc(c1)NC(=O)Cn1cnc2c(nnn2[*:1])c1=O
Cc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)c1 Cc1cccc(c1)[*:1] O=C(Cn1cnc2c(nnn2Cc2cccc(Cl)c2)c1=O)N[*:1]
Cc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)Cn1cnc2c(nnn2C[*:1])c1=O
Nc1ccc(C(F)(F)F)c(O)c1 FC(F)(F)[*:1] Nc1ccc(c(O)c1)[*:1]
CN(C)C(=O)CCC1=c2ccccc2=[NH+][C@H]1c1ccc(F)cc1 CN(C)C(=O)C[*:1] Fc1ccc(cc1)[C@@H]1[NH+]=c2ccccc2=C1C[*:1]
CN(C)C(=O)CCC1=c2ccccc2=[NH+][C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C)C(=O)CCC1=c2ccccc2=[NH+][C@@H]1[*:1]
CN(C)C(=O)CCC1=c2ccccc2=[NH+][C@H]1c1ccc(F)cc1 CN(C)C(=O)CC[*:1] Fc1ccc(cc1)[C@@H]1[NH+]=c2ccccc2=C1[*:1]
CN(C)C(=O)CCC1=c2ccccc2=[NH+][C@H]1c1ccc(F)cc1 CN(C)C(=O)[*:1] Fc1ccc(cc1)[C@@H]1[NH+]=c2ccccc2=C1CC[*:1]
CC(=O)N1CCN(C(=O)CNc2ccc(Br)c(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC(=O)N1CCN(CC1)C(=O)CNc1ccc(Br)c(c1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)COc1ccc(C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1NC(=O)COc1ccc(cc1)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)COc1ccc(C(C)C)cc1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)COc1ccc(cc1)C(C)C)[*:1]
COC(=O)[C@](C)(NC(C)=O)[C@H](OC(C)=O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@](C)(NC(C)=O)[C@H](OC(C)=O)[*:1]
COC(=O)[C@](C)(NC(C)=O)[C@H](OC(C)=O)c1ccccc1 CC(=O)N[*:1] COC(=O)[C@](C)([C@H](OC(C)=O)c1ccccc1)[*:1]
COC(=O)[C@](C)(NC(C)=O)[C@H](OC(C)=O)c1ccccc1 COC(=O)[*:1] CC(=O)N[C@@](C)([C@H](OC(C)=O)c1ccccc1)[*:1]
COC(=O)[C@](C)(NC(C)=O)[C@H](OC(C)=O)c1ccccc1 CC(=O)O[*:1] COC(=O)[C@](C)(NC(C)=O)[C@H](c1ccccc1)[*:1]
O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(N2CCCCC2)nc1 Fc1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])Nc1ccc(nc1)N1CCCCC1
O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(N2CCCCC2)nc1 C1CCN(CC1)[*:1] O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc(nc1)[*:1]
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1 O=C([O-])[*:1] CC(C)c1ccc(cc1S(=O)(=O)Nc1cccc(Cl)c1)[*:1]
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1 CC(C)[*:1] O=C([O-])c1ccc(c(c1)S(=O)(=O)Nc1cccc(Cl)c1)[*:1]
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)c1ccc(cc1S(=O)(=O)N[*:1])C(=O)[O-]
CO[C@H]1CCC[C@@H]1OC(=O)c1ccc(CNC(=O)c2cccs2)cc1 c1csc(c1)[*:1] CO[C@H]1CCC[C@@H]1OC(=O)c1ccc(cc1)CNC(=O)[*:1]
CO[C@H]1CCC[C@@H]1OC(=O)c1ccc(CNC(=O)c2cccs2)cc1 O=C(N[*:1])c1cccs1 CO[C@H]1CCC[C@@H]1OC(=O)c1ccc(cc1)C[*:1]
Cc1ccc(NC(=O)CCNC(=O)[C@H]2SCCc3sccc32)nc1 Cc1ccc(nc1)[*:1] O=C(CCNC(=O)[C@H]1SCCc2sccc21)N[*:1]
CC(C)c1nnc(NC(=O)CSc2ncn[nH]2)s1 c1n[nH]c(n1)S[*:1] CC(C)c1nnc(NC(=O)C[*:1])s1
CC(C)c1nnc(NC(=O)CSc2ncn[nH]2)s1 c1n[nH]c(n1)[*:1] CC(C)c1nnc(NC(=O)CS[*:1])s1
CC(C)c1nnc(NC(=O)CSc2ncn[nH]2)s1 CC(C)[*:1] O=C(CSc1ncn[nH]1)Nc1nnc(s1)[*:1]
Cc1ncccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1ncccc1[N-]S(=O)(=O)c1cccc(c1C)[*:1]
Cc1ncccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C Cc1ncccc1[*:1] Cc1c(cccc1S(=O)(=O)[N-][*:1])[N+](=O)[O-]
CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2Cl)C1 CS(=O)(=O)[*:1] O=S(=O)(Cc1ccccc1Cl)N[C@@H]1CCC[C@@H](C1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2Cl)C1 Clc1ccccc1[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NS(=O)(=O)C[*:1]
Cc1cc(C(=O)CSc2nccn2C)c(C)n1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1cc(C(=O)CSc2nccn2C)c(C)n1[*:1]
Cc1cc(C(=O)CSc2nccn2C)c(C)n1Cc1ccc(F)cc1 Cn1ccnc1S[*:1] Cc1cc(C(=O)C[*:1])c(C)n1Cc1ccc(F)cc1
Cc1cc(C(=O)CSc2nccn2C)c(C)n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)CSc2nccn2C)c(C)n1C[*:1]
Cc1cc(C(=O)CSc2nccn2C)c(C)n1Cc1ccc(F)cc1 Cn1ccnc1SC[*:1] Cc1cc(C(=O)[*:1])c(C)n1Cc1ccc(F)cc1
Cc1cc(C(=O)CSc2nccn2C)c(C)n1Cc1ccc(F)cc1 Cn1ccnc1[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1Cc1ccc(F)cc1
CCOC(=O)[C@@H]1C([O-])=Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCOC(=O)[C@@H]1C([O-])=Nc2nc3ccccc3n2[C@H]1[*:1]
CCOC(=O)[C@@H]1C([O-])=Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 CCOC(=O)[*:1] COc1ccc(cc1)[C@@H]1[C@@H](C([O-])=Nc2nc3ccccc3n21)[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)N1CCCCC1 Clc1ccc(cc1Cl)[*:1] O=C(Nc1ccccc1C(=O)N1CCCCC1)N[*:1]
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)cc1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)c1nc(no1)-c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])c1nc(no1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCN(C)CC2)C[C@H]1C(C)C CC(=O)N[*:1] CC1=C[C@@H](C[*:1])[C@@H](C[C@H]1CC(=O)N1CCN(C)CC1)C(C)C
CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCN(C)CC2)C[C@H]1C(C)C CC(C)[*:1] CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCN(C)CC2)C[C@@H]1[*:1]
CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCN(C)CC2)C[C@H]1C(C)C CC(=O)NC[*:1] CC1=C[C@H]([C@@H](C[C@H]1CC(=O)N1CCN(C)CC1)C(C)C)[*:1]
COc1ccc(CC2CCN(C(=O)CCc3nc(-c4ncccn4)no3)CC2)cc1 c1cnc(nc1)[*:1] COc1ccc(cc1)CC1CCN(CC1)C(=O)CCc1nc(no1)[*:1]
COc1ccc(CC2CCN(C(=O)CCc3nc(-c4ncccn4)no3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(CCc1nc(no1)-c1ncccn1)N1CCC(CC1)[*:1]
COc1ccc(CC2CCN(C(=O)CCc3nc(-c4ncccn4)no3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CCc1nc(no1)-c1ncccn1)N1CCC(CC1)C[*:1]
C[C@H]1CCC[C@H](C)[NH+]1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H]1CCC[C@H](C)[NH+]1C[C@@H](O)COc1ccc(cc1)[*:1]
COC(=O)c1ccc(CN(C)[C@@H]2CCCC[C@@H]2C[NH3+])nc1 COC(=O)[*:1] CN(Cc1ccc(cn1)[*:1])[C@@H]1CCCC[C@@H]1C[NH3+]
Cc1cccc([C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccn2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)N[C@H](c1ccccn1)[*:1]
Cc1cccc([C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccn2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)[C@H](N[C@@H](C)c1ccc(C)c(c1)[*:1])c1ccccn1
Cc1cccc([C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)[C@H](N[C@@H](C)c1ccc(C)c(c1)[N+](=O)[O-])[*:1]
COC(=O)NCCC(=O)N[C@H]1CCCn2c(C)nnc21 COC(=O)NC[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)C[*:1]
COC(=O)NCCC(=O)N[C@H]1CCCn2c(C)nnc21 COC(=O)N[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)CC[*:1]
Cc1cnc(-c2cccc(NC(=O)[C@H](C)S(=O)(=O)C(C)C)c2)o1 CC(C)S(=O)(=O)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)[C@H](C)[*:1]
Cc1cnc(-c2cccc(NC(=O)[C@H](C)S(=O)(=O)C(C)C)c2)o1 CC(C)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)[C@H](C)S(=O)(=O)[*:1]
Cc1cnc(-c2cccc(NC(=O)[C@H](C)S(=O)(=O)C(C)C)c2)o1 Cc1cnc(o1)[*:1] CC(C)S(=O)(=O)[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1cc2n(n1)C[C@H](C[NH2+]C[C@H](c1ccsc1)N(C)C)CN2 CN(C)[*:1] Cc1cc2NC[C@@H](C[NH2+]C[C@H](c3ccsc3)[*:1])Cn2n1
Cc1cc2n(n1)C[C@H](C[NH2+]C[C@H](c1ccsc1)N(C)C)CN2 c1cc(cs1)[*:1] Cc1cc2NC[C@@H](C[NH2+]C[C@H](N(C)C)[*:1])Cn2n1
Cc1ccc(NC(=O)c2sc3nc(CSc4nccn4C)[nH]c(=O)c3c2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1c(sc2nc(CSc3nccn3C)[nH]c(=O)c12)C(=O)N[*:1]
Cc1ccc(NC(=O)c2sc3nc(CSc4nccn4C)[nH]c(=O)c3c2C)c(C)c1 Cn1ccnc1SC[*:1] Cc1ccc(NC(=O)c2sc3nc([nH]c(=O)c3c2C)[*:1])c(C)c1
Cc1ccc(NC(=O)c2sc3nc(CSc4nccn4C)[nH]c(=O)c3c2C)c(C)c1 Cn1ccnc1S[*:1] Cc1ccc(NC(=O)c2sc3nc(C[*:1])[nH]c(=O)c3c2C)c(C)c1
Cc1ccc(NC(=O)c2sc3nc(CSc4nccn4C)[nH]c(=O)c3c2C)c(C)c1 Cn1ccnc1[*:1] Cc1ccc(NC(=O)c2sc3nc(CS[*:1])[nH]c(=O)c3c2C)c(C)c1
COCCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nc2ccc(Br)cc2c1=O COC[*:1] C[C@@H](Sc1nc2ccc(Br)cc2c(=O)n1C[*:1])C(=O)Nc1cccc(Cl)c1
COCCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nc2ccc(Br)cc2c1=O Clc1cccc(c1)[*:1] COCCn1c(nc2ccc(Br)cc2c1=O)S[C@H](C)C(=O)N[*:1]
COCCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nc2ccc(Br)cc2c1=O COCC[*:1] C[C@@H](Sc1nc2ccc(Br)cc2c(=O)n1[*:1])C(=O)Nc1cccc(Cl)c1
COC[C@@H](C(C)C)n1c(=S)[nH]c2c(C)ccnc21 CC(C)[*:1] COC[C@@H](n1c(=S)[nH]c2c(C)ccnc21)[*:1]
COC[C@@H](C(C)C)n1c(=S)[nH]c2c(C)ccnc21 COC[*:1] Cc1ccnc2c1[nH]c(=S)n2[C@H](C(C)C)[*:1]
CC(C)=C[C@]1(O)CCCCC1(C)C CC(C)=C[*:1] CC1(C)CCCC[C@]1(O)[*:1]
CC(=O)N[C@@H](C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1)C1CCCC1 CC(=O)N[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)[C@@H](C1CCCC1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)CNc2cccc([N+](=O)[O-])c2)C1 NC(=O)[*:1] O=C(CNc1cccc(c1)[N+](=O)[O-])N1CCC[C@@H](C1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)CNc2cccc([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)CNc1cccc(c1)[*:1]
Cc1ccc(CNC(=O)[C@H](C)n2c(=O)c(C(F)(F)F)nc3cc(C)c(C)cc32)o1 Cc1ccc(C[*:1])o1 Cc1cc2nc(c(=O)n(c2cc1C)[C@@H](C)C(=O)N[*:1])C(F)(F)F
Cc1ccc(CNC(=O)[C@H](C)n2c(=O)c(C(F)(F)F)nc3cc(C)c(C)cc32)o1 Cc1ccc(o1)[*:1] Cc1cc2nc(c(=O)n(c2cc1C)[C@@H](C)C(=O)NC[*:1])C(F)(F)F
Cc1ccc(CNC(=O)[C@H](C)n2c(=O)c(C(F)(F)F)nc3cc(C)c(C)cc32)o1 FC(F)(F)[*:1] Cc1ccc(CNC(=O)[C@H](C)n2c(=O)c(nc3cc(C)c(C)cc32)[*:1])o1
C[C@H](c1ccccc1)N(C)C(=O)[C@H]1SCCc2ccccc21 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)[C@H]1SCCc2ccccc21)[*:1]
COCCNC(=O)N1c2ccccc2Sc2ccccc21 COCC[*:1] O=C(N[*:1])N1c2ccccc2Sc2ccccc21
COCCNC(=O)N1c2ccccc2Sc2ccccc21 COC[*:1] O=C(NC[*:1])N1c2ccccc2Sc2ccccc21
COc1cc(O)ccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[nH]c(=O)c21 Clc1ccccc1C[*:1] COc1cc(O)ccc1[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)S[*:1]
COc1cc(O)ccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[nH]c(=O)c21 COc1cc(O)ccc1[*:1] O=C1C[C@@H](c2c(nc([nH]c2=O)SCc2ccccc2Cl)N1)[*:1]
COc1cc(O)ccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[nH]c(=O)c21 Clc1ccccc1[*:1] COc1cc(O)ccc1[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)SC[*:1]
COc1cc(O)ccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[nH]c(=O)c21 Clc1ccccc1CS[*:1] COc1cc(O)ccc1[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
Cc1c(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H](C)[C@H]1CN(C)CCO1
CCc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c1 CCc1cccc(c1)[*:1] O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N[*:1]
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] Cc1ccc(cc1C(=O)N[C@H](C)[*:1])S(=O)(=O)NCc1ccco1
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)c1ccccn1 c1coc(c1)[*:1] Cc1ccc(cc1C(=O)N[C@H](C)c1ccccn1)S(=O)(=O)NC[*:1]
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)c1ccccn1 c1coc(c1)C[*:1] Cc1ccc(cc1C(=O)N[C@H](C)c1ccccn1)S(=O)(=O)N[*:1]
Cc1ccc(-c2csc3c(=O)[nH]c(N4CCC[C@H](C(=O)NCC(C)C)C4)nc23)cc1 CC(C)C[*:1] Cc1ccc(cc1)-c1csc2c(=O)[nH]c(nc12)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccc(-c2csc3c(=O)[nH]c(N4CCC[C@H](C(=O)NCC(C)C)C4)nc23)cc1 CC(C)CNC(=O)[*:1] Cc1ccc(cc1)-c1csc2c(=O)[nH]c(nc12)N1CCC[C@H](C1)[*:1]
Cc1ccc(-c2csc3c(=O)[nH]c(N4CCC[C@H](C(=O)NCC(C)C)C4)nc23)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1csc2c(=O)[nH]c(nc12)N1CCC[C@@H](C1)C(=O)NC[*:1]
Cc1ccc(-c2csc3c(=O)[nH]c(N4CCC[C@H](C(=O)NCC(C)C)C4)nc23)cc1 Cc1ccc(cc1)[*:1] CC(C)CNC(=O)[C@H]1CCCN(C1)c1nc2c(csc2c(=O)[nH]1)[*:1]
COc1ccccc1C1(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CCOCC1 COc1ccccc1[*:1] O=C(Nc1ccc(cc1)N1CCCS1(=O)=O)C1(CCOCC1)[*:1]
COc1ccccc1C1(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CCOCC1 O=S1(=O)CCCN1[*:1] COc1ccccc1C1(CCOCC1)C(=O)Nc1ccc(cc1)[*:1]
O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCc1ccc2OCOc2c1)N[*:1]
COc1ccccc1[C@H](C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] O=C([O-])[*:1] COc1ccccc1[C@H](C)NC(=O)[C@@H]1CC=CC[C@H]1[*:1]
CC[NH+](CC)CCOc1cc(N)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] CC[NH+](CC)CCOc1cc(N)cc(c1C)[*:1]
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NNC(=O)c2ccccc2Cl)C1 Clc1ccccc1[*:1] C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NNC(=O)[*:1])C1
O=C(Nc1cncc2ccccc12)[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1cncc2ccccc12)[C@H]1CCC[C@@H](C1)[*:1]
[NH3+]C[C@H](c1cccc(C2CC2)c1)N1CCC[C@H]2CCC[C@@H]21 C1CC1[*:1] [NH3+]C[C@H](c1cccc(c1)[*:1])N1CCC[C@H]2CCC[C@@H]21
CC(C)[C@H](CO)NC(=O)c1ccn(C)c(=O)c1 CC(C)[*:1] Cn1ccc(cc1=O)C(=O)N[C@@H](CO)[*:1]
COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC)c1C O=[N+]([O-])[*:1] COC(=O)c1sc(NC(=O)c2ccc(cc2)[*:1])c(C(=O)OC)c1C
COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1sc(NC(=O)c2ccc(cc2)[N+](=O)[O-])c(c1C)[*:1]
COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc(c1C)[*:1]
CC(C)(O)c1cccc(C(C)(C)O)c1 CC(C)(O)[*:1] CC(C)(O)c1cccc(c1)[*:1]
COc1cc(C)sc1C(=O)N(C)CC(=O)Nc1cccc(C)c1C COc1cc(C)sc1[*:1] Cc1cccc(NC(=O)CN(C)C(=O)[*:1])c1C
COc1cc(C)sc1C(=O)N(C)CC(=O)Nc1cccc(C)c1C Cc1cccc(c1C)[*:1] COc1cc(C)sc1C(=O)N(C)CC(=O)N[*:1]
Cc1ccc(NC(=O)CNc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cc1F Cc1ccc(cc1F)[*:1] O=C(CNc1cccc(c1)C(=O)N1CCC[C@@H](O)C1)N[*:1]
Cc1ccc(NC(=O)CNc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cc1F O=C(N1CCC[C@@H](O)C1)[*:1] Cc1ccc(cc1F)NC(=O)CNc1cccc(c1)[*:1]
CCc1ccsc1[C@H]([NH2+]C)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] CCc1ccsc1[C@H]([NH2+]C)[C@@H](C)[*:1]
CC(=O)c1cccc(NC(=O)CS[C@@H]2N=C3C(c4ccccc4)=CN=C3C(=O)N2C2CC2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)CS[C@@H]1N=C2C(=CN=C2C(=O)N1C1CC1)[*:1]
CC(=O)c1cccc(NC(=O)CS[C@@H]2N=C3C(c4ccccc4)=CN=C3C(=O)N2C2CC2)c1 CC(=O)[*:1] O=C(CS[C@@H]1N=C2C(=CN=C2C(=O)N1C1CC1)c1ccccc1)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)CS[C@@H]2N=C3C(c4ccccc4)=CN=C3C(=O)N2C2CC2)c1 C1CC1[*:1] CC(=O)c1cccc(c1)NC(=O)CS[C@@H]1N=C2C(=CN=C2C(=O)N1[*:1])c1ccccc1
CC(=O)c1cccc(NC(=O)CS[C@@H]2N=C3C(c4ccccc4)=CN=C3C(=O)N2C2CC2)c1 CC(=O)c1cccc(c1)[*:1] O=C(CS[C@@H]1N=C2C(=CN=C2C(=O)N1C1CC1)c1ccccc1)N[*:1]
O=C1CN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2N1 FC(F)(F)[*:1] O=C1CN(C(=O)/C=C/c2ccc(Cl)c(c2)[*:1])c2ccccc2N1
COCCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COCCNC(=O)c1cc2sc(Br)cc2n1C[*:1]
COCCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1F COCCNC(=O)[*:1] Fc1ccc(Cn2c(cc3sc(Br)cc32)[*:1])c(F)c1
COCCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1F COCC[*:1] O=C(N[*:1])c1cc2sc(Br)cc2n1Cc1ccc(F)cc1F
COCCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1F COC[*:1] O=C(NC[*:1])c1cc2sc(Br)cc2n1Cc1ccc(F)cc1F
Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)c3n[nH]c4ccccc34)CC2)c1 c1ccc2c(n[nH]c2c1)[*:1] Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)CCNC(=O)[*:1]
Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)c3n[nH]c4ccccc34)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)[*:1])c1n[nH]c2ccccc12
COCc1cccc(C(=O)NCc2cc(N(C)C)[nH+]c3ccccc23)c1 CN(C)[*:1] COCc1cccc(c1)C(=O)NCc1cc([nH+]c2ccccc12)[*:1]
COCc1cccc(C(=O)NCc2cc(N(C)C)[nH+]c3ccccc23)c1 COC[*:1] CN(C)c1cc(CNC(=O)c2cccc(c2)[*:1])c2ccccc2[nH+]1
CSc1nc2ncn(CC(=O)Nc3ccc(Br)cc3F)c(=O)c2s1 Fc1cc(Br)ccc1[*:1] CSc1nc2ncn(CC(=O)N[*:1])c(=O)c2s1
Cc1c(C(=O)N2CCN(CCO)CC2)cnn1-c1ccc(F)cc1 OCC[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)N1CCN(CC1)[*:1]
Cc1c(C(=O)N2CCN(CCO)CC2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCN(CCO)CC1
CCSc1nnc(Sc2ccc(F)cc2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] CCSc1nnc(Sc2ccc(F)cc2[*:1])s1
CCSc1nnc(Sc2ccc(F)cc2[N+](=O)[O-])s1 CCS[*:1] O=[N+]([O-])c1cc(F)ccc1Sc1nnc(s1)[*:1]
CC(=O)NC1CC[NH+](Cc2ccc(C)cc2C)CC1 CC(=O)N[*:1] Cc1ccc(C[NH+]2CCC(CC2)[*:1])c(C)c1
COc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)ccc1F NC(=O)[*:1] COc1cc(ccc1F)C(=O)N1CCOC[C@H]1[*:1]
COC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OC COC(=O)[*:1] COC(=O)C(=Cc1cccc(c1)[N+](=O)[O-])[*:1]
COC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OC O=[N+]([O-])[*:1] COC(=O)C(=Cc1cccc(c1)[*:1])C(=O)OC
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 C1CN(CCO1)[*:1] COC(=O)C1=C(C)NC2CCCC(=O)C=2[C@H]1c1ccc(c(c1)[N+](=O)[O-])[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 COC(=O)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)C1=C(C)NC2CCCC(=O)C=2[C@H]1c1ccc(c(c1)[*:1])N1CCOCC1
Cc1nc(C)c(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)o1 Cc1nc(C)c(o1)[*:1] O=C(N(Cc1ccc(Cl)c(Cl)c1)C1CC1)[*:1]
Cc1nc(C)c(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)o1 C1CC1[*:1] Cc1nc(C)c(o1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)[*:1]
O=S(=O)(Nc1ccccc1OCc1cscn1)c1ccc(F)cc1F c1nc(cs1)CO[*:1] O=S(=O)(Nc1ccccc1[*:1])c1ccc(F)cc1F
O=S(=O)(Nc1ccccc1OCc1cscn1)c1ccc(F)cc1F c1nc(cs1)C[*:1] O=S(=O)(Nc1ccccc1O[*:1])c1ccc(F)cc1F
O=S(=O)(Nc1ccccc1OCc1cscn1)c1ccc(F)cc1F c1nc(cs1)[*:1] O=S(=O)(Nc1ccccc1OC[*:1])c1ccc(F)cc1F
O=S(=O)(Nc1ccccc1OCc1cscn1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=S(=O)(Nc1ccccc1OCc1cscn1)[*:1]
CCS(=O)(=O)CCNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C CC(C)(C)[*:1] CCS(=O)(=O)CCNC(=O)Nc1cc(nn1[*:1])C(C)(C)C
CCS(=O)(=O)CCNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C CCS(=O)(=O)C[*:1] CC(C)(C)c1cc(NC(=O)NC[*:1])n(n1)C(C)(C)C
CCS(=O)(=O)CCNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C CCS(=O)(=O)CC[*:1] CC(C)(C)c1cc(NC(=O)N[*:1])n(n1)C(C)(C)C
CCS(=O)(=O)CCNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C CCS(=O)(=O)[*:1] CC(C)(C)c1cc(NC(=O)NCC[*:1])n(n1)C(C)(C)C
CCS(=O)(=O)CCNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C CC(C)(C)[*:1] CCS(=O)(=O)CCNC(=O)Nc1cc(nn1C(C)(C)C)[*:1]
Cc1nnc(SCC(=O)c2cccc(C(F)(F)F)c2)n1CC(N)=O NC(=O)C[*:1] Cc1nnc(SCC(=O)c2cccc(c2)C(F)(F)F)n1[*:1]
Cc1nnc(SCC(=O)c2cccc(C(F)(F)F)c2)n1CC(N)=O FC(F)(F)[*:1] Cc1nnc(SCC(=O)c2cccc(c2)[*:1])n1CC(N)=O
Cc1nnc(SCC(=O)c2cccc(C(F)(F)F)c2)n1CC(N)=O NC(=O)[*:1] Cc1nnc(SCC(=O)c2cccc(c2)C(F)(F)F)n1C[*:1]
O=C(NCc1cccnc1)C(=O)c1cccn1Cc1ccc(F)cc1 c1cncc(c1)C[*:1] O=C(N[*:1])C(=O)c1cccn1Cc1ccc(F)cc1
O=C(NCc1cccnc1)C(=O)c1cccn1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(NCc1cccnc1)C(=O)c1cccn1[*:1]
O=C(NCc1cccnc1)C(=O)c1cccn1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1cccnc1)C(=O)c1cccn1C[*:1]
O=C(NCc1cccnc1)C(=O)c1cccn1Cc1ccc(F)cc1 c1cncc(c1)[*:1] O=C(NC[*:1])C(=O)c1cccn1Cc1ccc(F)cc1
CCc1nn(C2CCC2)c2cc(Br)ccc12 C1CC(C1)[*:1] CCc1nn(c2cc(Br)ccc12)[*:1]
COC(=O)c1ccccc1CNc1ccc(C)c(-c2ncco2)c1 COC(=O)[*:1] Cc1ccc(cc1-c1ncco1)NCc1ccccc1[*:1]
COC(=O)c1ccccc1CNc1ccc(C)c(-c2ncco2)c1 c1coc(n1)[*:1] COC(=O)c1ccccc1CNc1ccc(C)c(c1)[*:1]
COc1cccc([C@@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)[C@@H](CNC(=O)c1ccc2OCOc2c1)[*:1]
COc1cccc([C@@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCOCC2)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)[C@@H](CNC(=O)[*:1])N1CCOCC1
COc1cccc([C@@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCOCC2)c1 COc1cccc(c1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1ccc2OCOc2c1
CCCCC(=O)Nc1nnc(C2CCCCC2)s1 CCCC[*:1] O=C(Nc1nnc(s1)C1CCCCC1)[*:1]
CCCCC(=O)Nc1nnc(C2CCCCC2)s1 C1CCC(CC1)[*:1] CCCCC(=O)Nc1nnc(s1)[*:1]
CCCCC(=O)Nc1nnc(C2CCCCC2)s1 CCC[*:1] O=C(C[*:1])Nc1nnc(s1)C1CCCCC1
Cc1cc([N+](=O)[O-])cnc1N1CCC2(C1)OCCO2 O=[N+]([O-])[*:1] Cc1cc(cnc1N1CCC2(C1)OCCO2)[*:1]
C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccccc1Cl C[C@H](c1ccccc1Cl)[*:1] CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)N[*:1]
C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)[*:1]
CCC(CC)N(CCO)C(=O)[C@H]1CCCCC[C@@H]1[NH3+] OCC[*:1] CCC(CC)N(C(=O)[C@H]1CCCCC[C@@H]1[NH3+])[*:1]
CCC(CC)N(CCO)C(=O)[C@H]1CCCCC[C@@H]1[NH3+] CCC(CC)[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)N(CCO)[*:1]
O=C(c1cccs1)[C@@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F O=C(c1cccs1)[*:1] Oc1ccc(cc1)[C@@H]1NC(=S)N[C@](O)([C@@H]1[*:1])C(F)(F)F
O=C(c1cccs1)[C@@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F Oc1ccc(cc1)[*:1] O=C(c1cccs1)[C@@H]1[C@H](NC(=S)N[C@@]1(O)C(F)(F)F)[*:1]
O=C(c1cccs1)[C@@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] O=C(c1cccs1)[C@@H]1[C@@H](NC(=S)N[C@]1(O)[*:1])c1ccc(O)cc1
O=C(c1cccs1)[C@@H]1[C@H](c2ccc(O)cc2)NC(=S)N[C@@]1(O)C(F)(F)F c1csc(c1)[*:1] O=C([C@@H]1[C@@H](NC(=S)N[C@@]1(O)C(F)(F)F)c1ccc(O)cc1)[*:1]
C[C@H]1CCN(C(=O)CCc2nc(C3CC3)no2)C[C@H]1O C1CC1[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)CCc1nc(no1)[*:1]
CC[C@@H]1CCC[C@H]([C@H]([NH3+])C(C)(C)N2CCOCC2)C1 C1CN(CCO1)[*:1] CC[C@@H]1CCC[C@@H](C1)[C@H]([NH3+])C(C)(C)[*:1]
Cc1c(C#N)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(Cc2ccccc2)c1C c1ccc(cc1)C[*:1] Cc1c(C#N)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(c1C)[*:1]
Cc1c(C#N)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(Cc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1c(C#N)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(C[*:1])c1C
COC(=O)/C=C/c1ccc(/C=C/C(=O)OC)c([N+](=O)[O-])c1 COC(=O)[*:1] COC(=O)/C=C/c1ccc(C=C[*:1])c(c1)[N+](=O)[O-]
COC(=O)/C=C/c1ccc(/C=C/C(=O)OC)c([N+](=O)[O-])c1 COC(=O)[*:1] COC(=O)/C=C/c1ccc(C=C[*:1])cc1[N+](=O)[O-]
COC(=O)/C=C/c1ccc(/C=C/C(=O)OC)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)/C=C/c1ccc(/C=C/C(=O)OC)c(c1)[*:1]
COC(=O)/C=C/c1ccc(/C=C/C(=O)OC)c([N+](=O)[O-])c1 COC(=O)C=C[*:1] COC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])[*:1]
COC(=O)/C=C/c1ccc(/C=C/C(=O)OC)c([N+](=O)[O-])c1 COC(=O)C=C[*:1] COC(=O)/C=C/c1ccc(cc1[N+](=O)[O-])[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccc(Br)cc1
Nc1c(C(=O)NC(=O)c2ccccc2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Nc1c(cnn1[*:1])C(=O)NC(=O)c1ccccc1
Nc1c(C(=O)NC(=O)c2ccccc2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Nc1c(cnn1-c1ccccc1)C(=O)NC(=O)[*:1]
Cc1ccc(N2C(=O)[C@H]3N=NN(c4cccc(F)c4)[C@H]3C2=O)cc1F Cc1ccc(cc1F)[*:1] O=C1[C@H]2N=NN(c3cccc(F)c3)[C@H]2C(=O)N1[*:1]
Cc1ccc(N2C(=O)[C@H]3N=NN(c4cccc(F)c4)[C@H]3C2=O)cc1F Fc1cccc(c1)[*:1] Cc1ccc(cc1F)N1C(=O)[C@H]2N=NN([C@H]2C1=O)[*:1]
C=C(C)CN1N[C@H](OCC)N(C2=C([C@H]3N=NC=[NH+]3)C3=C(CC[C@H](C)C3)C2)C1=S C=C(C)[*:1] CCO[C@H]1NN(C[*:1])C(=S)N1C1CC2CC[C@H](C)CC=2C=1[C@H]1N=NC=[NH+]1
C=C(C)CN1N[C@H](OCC)N(C2=C([C@H]3N=NC=[NH+]3)C3=C(CC[C@H](C)C3)C2)C1=S C=C(C)C[*:1] CCO[C@H]1NN(C(=S)N1C1CC2CC[C@H](C)CC=2C=1[C@H]1N=NC=[NH+]1)[*:1]
C=C(C)CN1N[C@H](OCC)N(C2=C([C@H]3N=NC=[NH+]3)C3=C(CC[C@H](C)C3)C2)C1=S CCO[*:1] C=C(C)CN1N[C@H](N(C1=S)C1CC2CC[C@H](C)CC=2C=1[C@H]1N=NC=[NH+]1)[*:1]
CC[C@@H](NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1)[C@H]1CCCO1 CC(=O)[*:1] CC[C@@H](NC(=O)c1ccc(cc1)Oc1ccc(cc1)[*:1])[C@H]1CCCO1
CC[C@@H](NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1)[C@H]1CCCO1 CC(=O)c1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ccc(cc1)O[*:1])[C@H]1CCCO1
COC(=O)C1CCN(C(=O)COc2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)CO[*:1]
COC(=O)C1CCN(C(=O)COc2ccc(Br)cc2)CC1 COC(=O)[*:1] O=C(COc1ccc(Br)cc1)N1CCC(CC1)[*:1]
O=[S@@](C[C@@H]1CCOC1)c1cccc(F)c1 C1C[C@H](CO1)[*:1] O=[S@@](C[*:1])c1cccc(F)c1
O=C(Nc1cccc(OCCn2cncn2)c1)c1c[nH]c2cccc(F)c12 c1ncn(C[*:1])n1 O=C(Nc1cccc(c1)OC[*:1])c1c[nH]c2cccc(F)c12
O=C(Nc1cccc(OCCn2cncn2)c1)c1c[nH]c2cccc(F)c12 c1ncn(CCO[*:1])n1 O=C(Nc1cccc(c1)[*:1])c1c[nH]c2cccc(F)c12
O=C(Nc1cccc(OCCn2cncn2)c1)c1c[nH]c2cccc(F)c12 c1ncn(n1)[*:1] O=C(Nc1cccc(c1)OCC[*:1])c1c[nH]c2cccc(F)c12
O=C(Nc1cccc(OCCn2cncn2)c1)c1c[nH]c2cccc(F)c12 c1ncn(CC[*:1])n1 O=C(Nc1cccc(c1)O[*:1])c1c[nH]c2cccc(F)c12
C[C@H]1CN(C[C@]2(C)CCCO2)[C@H](c2ccccc2)C[NH2+]1 C[C@@]1(CCCO1)[*:1] C[C@H]1CN(C[*:1])[C@@H](C[NH2+]1)c1ccccc1
C[C@H]1CN(C[C@]2(C)CCCO2)[C@H](c2ccccc2)C[NH2+]1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@]2(C)CCCO2)[C@H](C[NH2+]1)[*:1]
CC(=O)N(C)c1nc(/C=C2\Cc3cc(C)ccc3C2=O)cs1 CC(=O)N(C)[*:1] Cc1ccc2C(=O)/C(=C/c3csc(n3)[*:1])Cc2c1
CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C CC(C)[*:1] CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](Cc1ccc(F)cc1)[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C Fc1ccc(cc1)C[*:1] CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C(C)C)[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C Fc1ccc(cc1)[*:1] CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C[*:1])C(C)C
CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C c1cc(ccn1)[*:1] CC[C@H](N(C)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C)[*:1]
O=C1C[C@H](C(=O)Nc2ccccc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 c1coc(c1)[*:1] O=C1C[C@H](C(=O)Nc2ccccc2)C2C(=O)C[C@H](CC=2N1)[*:1]
O=C1C[C@H](C(=O)Nc2ccccc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])C2C(=O)C[C@@H](CC=2N1)c1ccco1
CC(=O)c1cccc(OC(=O)CCSc2ccccc2F)c1 Fc1ccccc1[*:1] CC(=O)c1cccc(c1)OC(=O)CCS[*:1]
CC(=O)c1cccc(OC(=O)CCSc2ccccc2F)c1 CC(=O)[*:1] O=C(CCSc1ccccc1F)Oc1cccc(c1)[*:1]
O=C1COCC(=O)N1Cc1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C1COCC(=O)N1Cc1cnn(n1)[*:1]
CC(C)N1C[C@@H](C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)CC1=O CC(C)N1C[C@@H](CC1=O)[*:1] O=C1N[C@]2(CC[C@@H]3CN(C[C@@H]32)C(=O)[*:1])Nc2ccccc21
CC(C)N1C[C@@H](C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)CC1=O CC(C)[*:1] O=C1N[C@]2(CC[C@@H]3CN(C[C@@H]32)C(=O)[C@H]2CC(=O)N(C2)[*:1])Nc2ccccc21
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)S[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(cc1)C[*:1]
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(cc1)CS[*:1]
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(CSc2ncn[nH]2)cc1 c1n[nH]c(n1)SC[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(cc1)[*:1]
Cc1cc(C(=O)O[C@H](C)C(=O)NC2CC2)c(C)n1C(C)C C1CC1[*:1] Cc1cc(C(=O)O[C@H](C)C(=O)N[*:1])c(C)n1C(C)C
Cc1cc(C(=O)O[C@H](C)C(=O)NC2CC2)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)O[C@H](C)C(=O)NC2CC2)c(C)n1[*:1]
Cc1cc(C(=O)O[C@H](C)C(=O)NC2CC2)c(C)n1C(C)C O=C(NC1CC1)[*:1] Cc1cc(C(=O)O[C@H](C)[*:1])c(C)n1C(C)C
CCOc1cc(CNC(=O)N2CCCN(C(C)=O)CC2)ccn1 CCO[*:1] CC(=O)N1CCCN(CC1)C(=O)NCc1ccnc(c1)[*:1]
CN(C[C@@H](O)C(F)(F)F)c1cncc(C(N)=O)n1 O[C@@H](C(F)(F)F)[*:1] CN(C[*:1])c1cncc(n1)C(N)=O
CN(C[C@@H](O)C(F)(F)F)c1cncc(C(N)=O)n1 NC(=O)[*:1] CN(C[C@@H](O)C(F)(F)F)c1cncc(n1)[*:1]
CN(C[C@@H](O)C(F)(F)F)c1cncc(C(N)=O)n1 FC(F)(F)[*:1] CN(C[C@@H](O)[*:1])c1cncc(n1)C(N)=O
CCNS(=O)(=O)[C@H]1CCN(C(=O)/C=C/c2cccc3cccnc23)C1 CCNS(=O)(=O)[*:1] O=C(/C=C/c1cccc2cccnc12)N1CC[C@@H](C1)[*:1]
O=C([O-])CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 O=C([O-])[*:1] c1ccc(cc1)-c1nc(SC[*:1])n(-c2ccccc2)c1-c1ccccc1
O=C([O-])CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CSc1nc(c(-c2ccccc2)n1-c1ccccc1)[*:1]
O=C([O-])CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CSc1nc(-c2ccccc2)c(-c2ccccc2)n1[*:1]
O=C([O-])CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CSc1nc(-c2ccccc2)c(n1-c1ccccc1)[*:1]
O=C([O-])CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 O=C([O-])C[*:1] c1ccc(cc1)-c1nc(S[*:1])n(-c2ccccc2)c1-c1ccccc1
COC[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)C(N)=O COC[C@@H](C(N)=O)[*:1] O=C(N[*:1])[C@@H]1C[C@@H]1c1ccc(F)cc1F
COC[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)C(N)=O COC[*:1] NC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[*:1]
COC[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[*:1]
Cc1cncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 O=[N+]([O-])[*:1] Cc1cncc(c1)[N-]S(=O)(=O)c1cccc(c1C)[*:1]
Cc1cncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 Cc1cncc(c1)[*:1] Cc1c(cccc1S(=O)(=O)[N-][*:1])[N+](=O)[O-]
CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCc1ccccn1 CC(C)[*:1] O=C(N[C@H](C(=O)OCc1ccccn1)[*:1])c1cccs1
CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCc1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](NC(=O)c1cccs1)C(=O)OC[*:1]
CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCc1ccccn1 c1ccc(C[*:1])nc1 CC(C)[C@H](NC(=O)c1cccs1)C(=O)O[*:1]
CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCc1ccccn1 c1csc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)OCc1ccccn1
C[C@H](O)c1ccc(S(=O)(=O)N(C)CCS(C)(=O)=O)cc1 C[C@H](O)[*:1] CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@H](O)c1ccc(S(=O)(=O)N(C)CCS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] C[C@H](O)c1ccc(cc1)S(=O)(=O)N(C)C[*:1]
C[C@H](O)c1ccc(S(=O)(=O)N(C)CCS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](O)c1ccc(cc1)S(=O)(=O)N(C)CC[*:1]
C[C@H](O)c1ccc(S(=O)(=O)N(C)CCS(C)(=O)=O)cc1 CS(=O)(=O)CC[*:1] C[C@H](O)c1ccc(cc1)S(=O)(=O)N(C)[*:1]
CC[C@@H](c1ccccc1)S(=O)(=O)Cc1c(C)noc1C c1ccc(cc1)[*:1] CC[C@@H](S(=O)(=O)Cc1c(C)noc1C)[*:1]
CCCNC(=O)c1ccc(NC(=O)NC[C@H](O)c2ccco2)cc1 c1coc(c1)[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)NC[C@H](O)[*:1]
CCCNC(=O)c1ccc(NC(=O)NC[C@H](O)c2ccco2)cc1 CCCNC(=O)[*:1] O=C(NC[C@H](O)c1ccco1)Nc1ccc(cc1)[*:1]
CCCNC(=O)c1ccc(NC(=O)NC[C@H](O)c2ccco2)cc1 CCC[*:1] O=C(NC[C@H](O)c1ccco1)Nc1ccc(cc1)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1[S@@](=O)CC CC[C@H](C)NC(=O)[*:1] CC[S@](=O)[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1[S@@](=O)CC CC[S@](=O)[*:1] CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1[S@@](=O)CC CC[C@H](C)[*:1] CC[S@](=O)[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C(=O)N[*:1]
COCCn1ccc2ccc(NC(=O)N3CCC(n4cncn4)CC3)cc21 c1ncn(n1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)N1CCC(CC1)[*:1]
COCCn1ccc2ccc(NC(=O)N3CCC(n4cncn4)CC3)cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])N1CCC(CC1)n1cncn1
COCCn1ccc2ccc(NC(=O)N3CCC(n4cncn4)CC3)cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)N1CCC(CC1)n1cncn1
CC(C)c1noc(-c2ccc(NC(=O)C=C3CCSCC3)cc2)n1 CC(C)c1noc(n1)[*:1] O=C(C=C1CCSCC1)Nc1ccc(cc1)[*:1]
CC(C)c1noc(-c2ccc(NC(=O)C=C3CCSCC3)cc2)n1 CC(C)[*:1] O=C(C=C1CCSCC1)Nc1ccc(cc1)-c1nc(no1)[*:1]
Cc1n[nH]c([C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCO2)n1 Cc1n[nH]c(n1)[*:1] Cn1cc(ccc1=O)C(=O)N1CCO[C@@H](C1)[*:1]
Cc1cccnc1NC(=O)CN1C(=O)CSc2ccccc21 Cc1cccnc1[*:1] O=C(CN1C(=O)CSc2ccccc21)N[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 O=C(N1CCCC1)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)[C@H](c1ccccc1)[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)[C@H](C(=O)N1CCCC1)[*:1]
Cc1cccnc1CNC(=O)N[C@@H](C)C(=O)N1CCCCC1 Cc1cccnc1[*:1] C[C@H](NC(=O)NC[*:1])C(=O)N1CCCCC1
Cc1ccc(O[C@H](C)CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 Cc1ccc(cc1)O[*:1] C[C@H](CNC(=O)N1CCC(CC1)[NH+]1CCCC1)[*:1]
Cc1ccc(O[C@H](C)CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CCC(CC1)[NH+]1CCCC1)O[*:1]
CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 CC(C)[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)C(=O)Nc1ccc(cc1)[*:1]
O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(CC1)S(=O)(=O)C=C[*:1]
O=C(c1nccnc1-c1nc2ccccc2s1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(c1nccnc1[*:1])N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
CC1CC[NH+](C2CCN(Cc3cccc(Br)c3)CC2)CC1 Brc1cccc(c1)[*:1] CC1CC[NH+](CC1)C1CCN(CC1)C[*:1]
COCc1cccc(NCc2cc(F)c(O)c(F)c2)c1 COC[*:1] Oc1c(F)cc(cc1F)CNc1cccc(c1)[*:1]
COc1nn(C)cc1-c1nnc(SC/C=C/c2ccccc2)n1C COc1nn(C)cc1[*:1] Cn1c(nnc1[*:1])SC/C=C/c1ccccc1
COc1nn(C)cc1-c1nnc(SC/C=C/c2ccccc2)n1C c1ccc(cc1)[*:1] COc1nn(C)cc1-c1nnc(SCC=C[*:1])n1C
COc1nn(C)cc1-c1nnc(SC/C=C/c2ccccc2)n1C C(=C[*:1])c1ccccc1 COc1nn(C)cc1-c1nnc(SC[*:1])n1C
Cc1cccc(-c2ccc(C[C@@H]3CN(C(=O)c4n[nH]c([O-])n4)CCNC3=O)cc2)c1 Cc1cccc(c1)[*:1] O=C1NCCN(C[C@H]1Cc1ccc(cc1)[*:1])C(=O)c1n[nH]c([O-])n1
C=C1C(=O)[C@]23[C@@H](O)[C@H]1C[C@H](OC(C)=O)[C@@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3O CC(=O)O[*:1] C=C1C(=O)[C@]23[C@@H](O)[C@H]1C[C@H](OC(C)=O)[C@@H]2[C@@]1(C)[C@H](C[C@H]3O)C(C)(C)CC[C@@H]1[*:1]
C=C1C(=O)[C@]23[C@@H](O)[C@H]1C[C@H](OC(C)=O)[C@@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3O CC(=O)O[*:1] C=C1C(=O)[C@]23[C@@H](O)[C@H]1C[C@H]([C@@H]2[C@]1(C)[C@@H](CCC(C)(C)[C@H]1C[C@H]3O)OC(C)=O)[*:1]
CCCS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2C1 c1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCc2ccc(cc2C1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCCS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2C1 CCC[*:1] O=C(Nc1ccc2CCN(Cc2c1)S(=O)(=O)[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
Clc1cccc(-c2n[nH]cc2C[NH2+]C2CC2)c1 C1CC1[*:1] Clc1cccc(c1)-c1n[nH]cc1C[NH2+][*:1]
COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Br c1ccc(cc1)[*:1] COc1ccc(cc1Br)CN1CCN(CC1)S(=O)(=O)[*:1]
COCCOc1ccc(C[NH3+])cn1 COC[*:1] [NH3+]Cc1ccc(nc1)OC[*:1]
COCCOc1ccc(C[NH3+])cn1 COCC[*:1] [NH3+]Cc1ccc(nc1)O[*:1]
CCN(C)c1ccc(C(=O)NCc2cccc(S(=O)(=O)NC)c2)cc1 CNS(=O)(=O)[*:1] CCN(C)c1ccc(cc1)C(=O)NCc1cccc(c1)[*:1]
CCN(C)c1ccc(C(=O)NCc2cccc(S(=O)(=O)NC)c2)cc1 CCN(C)[*:1] CNS(=O)(=O)c1cccc(c1)CNC(=O)c1ccc(cc1)[*:1]
Cc1cccc(-n2ccnc(SCc3cccc(C(F)(F)F)c3)c2=O)c1 Cc1cccc(c1)[*:1] O=c1c(nccn1[*:1])SCc1cccc(c1)C(F)(F)F
Cc1cccc(-n2ccnc(SCc3cccc(C(F)(F)F)c3)c2=O)c1 FC(F)(F)[*:1] Cc1cccc(c1)-n1ccnc(SCc2cccc(c2)[*:1])c1=O
C[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
C[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1 c1cn(nn1)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1
CC(C)(C)[NH2+]C[C@@H](Cc1nccs1)c1ccc(Br)cc1 c1csc(n1)[*:1] CC(C)(C)[NH2+]C[C@@H](C[*:1])c1ccc(Br)cc1
CC(C)(C)[NH2+]C[C@@H](Cc1nccs1)c1ccc(Br)cc1 c1csc(C[*:1])n1 CC(C)(C)[NH2+]C[C@@H](c1ccc(Br)cc1)[*:1]
CC(C)(C)[NH2+]C[C@@H](Cc1nccs1)c1ccc(Br)cc1 CC(C)(C)[*:1] Brc1ccc(cc1)[C@@H](C[NH2+][*:1])Cc1nccs1
Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)NC(C)C)n[nH]1 Cc1nn(C)c(C)c1[*:1] CC(C)NC(=O)CSc1n[nH]c(n1)NN=C[*:1]
Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)NC(C)C)n[nH]1 CC(C)NC(=O)[*:1] Cc1nn(C)c(C)c1/C=N/Nc1nc(n[nH]1)SC[*:1]
Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)NC(C)C)n[nH]1 CC(C)[*:1] Cc1nn(C)c(C)c1/C=N/Nc1nc(n[nH]1)SCC(=O)N[*:1]
Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)NC(C)C)n[nH]1 CC(C)NC(=O)C[*:1] Cc1nn(C)c(C)c1/C=N/Nc1nc(n[nH]1)S[*:1]
Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)NC(C)C)n[nH]1 CC(C)NC(=O)CS[*:1] Cc1nn(C)c(C)c1/C=N/Nc1nc(n[nH]1)[*:1]
Nc1nc(CC(=O)N(CC(=O)[O-])CC(F)(F)F)cs1 FC(F)(F)[*:1] Nc1nc(cs1)CC(=O)N(CC(=O)[O-])C[*:1]
Nc1nc(CC(=O)N(CC(=O)[O-])CC(F)(F)F)cs1 Nc1nc(cs1)[*:1] O=C([O-])CN(CC(F)(F)F)C(=O)C[*:1]
Nc1nc(CC(=O)N(CC(=O)[O-])CC(F)(F)F)cs1 FC(F)(F)C[*:1] Nc1nc(cs1)CC(=O)N(CC(=O)[O-])[*:1]
Nc1nc(CC(=O)N(CC(=O)[O-])CC(F)(F)F)cs1 O=C([O-])C[*:1] Nc1nc(cs1)CC(=O)N(CC(F)(F)F)[*:1]
Nc1nc(CC(=O)N(CC(=O)[O-])CC(F)(F)F)cs1 O=C([O-])[*:1] Nc1nc(cs1)CC(=O)N(CC(F)(F)F)C[*:1]
O=C(COC1CCCC1)Oc1ccc(NC(=O)C2CC2)cc1 C1CCC(C1)[*:1] O=C(CO[*:1])Oc1ccc(cc1)NC(=O)C1CC1
O=C(COC1CCCC1)Oc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] O=C(COC1CCCC1)Oc1ccc(cc1)NC(=O)[*:1]
O=C(COC1CCCC1)Oc1ccc(NC(=O)C2CC2)cc1 C1CCC(C1)OC[*:1] O=C(Nc1ccc(cc1)OC(=O)[*:1])C1CC1
O=C(COC1CCCC1)Oc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C(COC1CCCC1)Oc1ccc(cc1)[*:1]
O=C(COC1CCCC1)Oc1ccc(NC(=O)C2CC2)cc1 C1CCC(C1)O[*:1] O=C(C[*:1])Oc1ccc(cc1)NC(=O)C1CC1
O=C(NCc1ccncc1)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccncc1)NCc1[nH+]ccn1CC[*:1]
O=C(NCc1ccncc1)NCc1[nH+]ccn1CCc1ccccc1 c1cc(ccn1)[*:1] O=C(NCc1[nH+]ccn1CCc1ccccc1)NC[*:1]
O=C(NCc1ccncc1)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCc1ccncc1)NCc1[nH+]ccn1C[*:1]
O=C(NCc1ccncc1)NCc1[nH+]ccn1CCc1ccccc1 c1cc(ccn1)C[*:1] O=C(NCc1[nH+]ccn1CCc1ccccc1)N[*:1]
O=C(NCc1ccncc1)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(NCc1ccncc1)NCc1[nH+]ccn1[*:1]
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CCCO OCC[*:1] Cc1cc(ccc1S(=O)(=O)N[C@H](C)C[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CCCO O=[N+]([O-])[*:1] Cc1cc(ccc1S(=O)(=O)N[C@H](C)CCCO)[*:1]
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CCCO OCCC[*:1] Cc1cc(ccc1S(=O)(=O)N[C@H](C)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CCCO C[C@H](CCCO)[*:1] Cc1cc(ccc1S(=O)(=O)N[*:1])[N+](=O)[O-]
COc1ccc(C)cc1NC(=O)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 Cc1cnc(s1)[*:1] COc1ccc(C)cc1NC(=O)C(=O)N[C@@H](C1CC1)[*:1]
COc1ccc(C)cc1NC(=O)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 C1CC1[*:1] COc1ccc(C)cc1NC(=O)C(=O)N[C@@H](c1ncc(C)s1)[*:1]
O=C(c1ccc[n+]([O-])c1)N1CCOc2ccc(C3=CCCCC3)cc2C1 [O-][n+]1cccc(c1)[*:1] O=C(N1CCOc2ccc(cc2C1)C1=CCCCC1)[*:1]
C#CCNCC(=O)N[C@H](CC)C(=O)[O-] C#CC[*:1] CC[C@@H](NC(=O)CN[*:1])C(=O)[O-]
C#CCNCC(=O)N[C@H](CC)C(=O)[O-] O=C([O-])[*:1] C#CCNCC(=O)N[C@H](CC)[*:1]
C#CCNCC(=O)N[C@H](CC)C(=O)[O-] C#CCN[*:1] CC[C@@H](NC(=O)C[*:1])C(=O)[O-]
CC(C)COCCNC(=O)CN1CCS(=O)(=O)CC1 CC(C)C[*:1] O=C(CN1CCS(=O)(=O)CC1)NCCO[*:1]
CC(C)COCCNC(=O)CN1CCS(=O)(=O)CC1 CC(C)CO[*:1] O=C(CN1CCS(=O)(=O)CC1)NCC[*:1]
CC(C)COCCNC(=O)CN1CCS(=O)(=O)CC1 CC(C)COC[*:1] O=C(CN1CCS(=O)(=O)CC1)NC[*:1]
CC(C)COCCNC(=O)CN1CCS(=O)(=O)CC1 CC(C)[*:1] O=C(CN1CCS(=O)(=O)CC1)NCCOC[*:1]
Cc1nc(CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@@H]2C)sc1C Cc1nc(sc1C)[*:1] C[C@H]1C(=O)N[C@H](C(=O)N1C[*:1])C(C)(C)C
Cc1nc(CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@@H]2C)sc1C CC(C)(C)[*:1] Cc1nc(CN2C(=O)[C@H](NC(=O)[C@@H]2C)[*:1])sc1C
CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nc2cc3c(cc2c1=O)OCO3 FC(F)(F)c1ccc(cc1)[*:1] CCn1c(nc2cc3OCOc3cc2c1=O)SCc1nc(no1)[*:1]
CCn1c(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nc2cc3c(cc2c1=O)OCO3 FC(F)(F)[*:1] CCn1c(nc2cc3OCOc3cc2c1=O)SCc1nc(no1)-c1ccc(cc1)[*:1]
Cc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])o3)nc2c1C O=[N+]([O-])c1ccc(o1)[*:1] Cc1ccc2sc(nc2c1C)N(Cc1ccccn1)C(=O)[*:1]
Cc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])o3)nc2c1C c1ccc(C[*:1])nc1 Cc1ccc2sc(nc2c1C)N(C(=O)c1ccc(o1)[N+](=O)[O-])[*:1]
Cc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])o3)nc2c1C c1ccc(nc1)[*:1] Cc1ccc2sc(nc2c1C)N(C[*:1])C(=O)c1ccc(o1)[N+](=O)[O-]
Cc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])o3)nc2c1C O=[N+]([O-])[*:1] Cc1ccc2sc(nc2c1C)N(Cc1ccccn1)C(=O)c1ccc(o1)[*:1]
CSCC[C@H]1NC(=O)N(Cc2ccc(Br)cc2F)C1=O CSCC[*:1] O=C1N[C@@H](C(=O)N1Cc1ccc(Br)cc1F)[*:1]
CSCC[C@H]1NC(=O)N(Cc2ccc(Br)cc2F)C1=O CSC[*:1] O=C1N[C@H](C[*:1])C(=O)N1Cc1ccc(Br)cc1F
OCCC[NH2+][C@H]1CCO[C@]2(CCOC2)C1 OCC[*:1] C1C[C@]2(CO1)C[C@H](CCO2)[NH2+]C[*:1]
OCCC[NH2+][C@H]1CCO[C@]2(CCOC2)C1 OCCC[*:1] C1C[C@]2(CO1)C[C@H](CCO2)[NH2+][*:1]
CCOc1ccc(C(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1Br Cc1nnc2sc(nn12)[*:1] CCOc1ccc(cc1Br)C(=O)NCc1ccc(cc1)[*:1]
CCOc1ccc(C(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1Br CCO[*:1] Cc1nnc2sc(nn12)-c1ccc(cc1)CNC(=O)c1ccc(c(Br)c1)[*:1]
CC1=NC(C)=C(c2csc(Nc3ccccn3)n2)C1 c1ccc(nc1)[*:1] CC1CC(=C(C)N=1)c1csc(n1)N[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)NCCN1C(=O)CNC1=O O=C1CNC(=O)N1[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)NCC[*:1]
O=C(Cn1c(-c2ccccn2)noc1=O)C12CC3CC(CC(C3)C1)C2 c1ccc(nc1)[*:1] O=C(Cn1c(noc1=O)[*:1])C12CC3CC(CC(C3)C1)C2
Cc1c(C(=O)OCCCc2ccncc2)cnn1-c1ccccc1F c1cc(ccn1)C[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)OCC[*:1]
Cc1c(C(=O)OCCCc2ccncc2)cnn1-c1ccccc1F c1cc(ccn1)CC[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)OC[*:1]
Cc1c(C(=O)OCCCc2ccncc2)cnn1-c1ccccc1F Fc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)OCCCc1ccncc1
Cc1c(C(=O)OCCCc2ccncc2)cnn1-c1ccccc1F c1cc(ccn1)[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)OCCC[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2ccnn2)cc1)C1CC1 c1cn(nn1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(cc1)[*:1])C1CC1
C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2ccnn2)cc1)C1CC1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
CCN1C(=O)/C(=C(/C#N)C(=O)Nc2cc(C)ccc2C)c2ccccc21 Cc1ccc(C)c(c1)[*:1] CCN1C(=O)/C(=C(/C#N)C(=O)N[*:1])c2ccccc21
O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccccc1Cl C1CCCN(CC1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])c1ccccc1Cl
O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCCC1)[*:1]
CCC(=O)N1CCCN(C(=O)NC[C@H](c2ccccc2)C(C)C)CC1 CC(C)[*:1] CCC(=O)N1CCCN(CC1)C(=O)NC[C@H](c1ccccc1)[*:1]
CCC(=O)N1CCCN(C(=O)NC[C@H](c2ccccc2)C(C)C)CC1 c1ccc(cc1)[*:1] CCC(=O)N1CCCN(CC1)C(=O)NC[C@H](C(C)C)[*:1]
C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] C[C@H](OC(=O)c1ccccc1NC(=O)[*:1])C(=O)N1CCN(CC1)C(=O)c1ccco1
C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCN(C(=O)c2ccco2)CC1 O=C(N[*:1])c1ccco1 C[C@H](OC(=O)c1ccccc1[*:1])C(=O)N1CCN(CC1)C(=O)c1ccco1
C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2Cc2ccco2)c1 COc1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1[*:1])c1ccncc1
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2Cc2ccco2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccco1
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2Cc2ccco2)c1 c1coc(c1)[*:1] COc1cccc(c1)[C@@H]1C(C(=O)c2ccncc2)=C([O-])C(=O)N1C[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2Cc2ccco2)c1 c1coc(c1)C[*:1] COc1cccc(c1)[C@@H]1C(C(=O)c2ccncc2)=C([O-])C(=O)N1[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2Cc2ccco2)c1 O=C(c1ccncc1)[*:1] COc1cccc(c1)[C@@H]1C(=C([O-])C(=O)N1Cc1ccco1)[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc([nH]n1)-c1cccc(Cl)c1
O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 Clc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)c1cc([nH]n1)[*:1]
OCc1ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)o1 OCc1ccc(o1)[*:1] c1ccc(cc1)CCOC1CC[NH+](CC1)C[*:1]
OCc1ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)o1 c1ccc(cc1)C[*:1] OCc1ccc(C[NH+]2CCC(CC2)OC[*:1])o1
OCc1ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)o1 c1ccc(cc1)[*:1] OCc1ccc(C[NH+]2CCC(CC2)OCC[*:1])o1
CC(C)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N(C)C[*:1]
CC(C)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1 CN(C)C(=O)C[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N(C)[*:1]
CC(C)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1 CC(C)[*:1] CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1Cl Oc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)N[C@@H](C)[C@H](O)[*:1]
CC(C)[C@H](C)NC(=O)CS(=O)(=O)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CC(C)[C@H](C)S(=O)(=O)CC(=O)N[*:1]
CC(C)[C@H](C)NC(=O)CS(=O)(=O)[C@@H](C)C(C)C CC(C)[*:1] CC(C)[C@H](C)S(=O)(=O)CC(=O)N[C@@H](C)[*:1]
CC(C)[C@H](C)NC(=O)CS(=O)(=O)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CC(C)[C@H](C)NC(=O)CS(=O)(=O)[*:1]
CC(C)[C@H](C)NC(=O)CS(=O)(=O)[C@@H](C)C(C)C CC(C)[*:1] CC(C)[C@H](C)NC(=O)CS(=O)(=O)[C@@H](C)[*:1]
CC(C)[NH+]1CCN(Cc2cccc(N)[nH+]2)CC1 CC(C)[*:1] Nc1cccc(CN2CC[NH+](CC2)[*:1])[nH+]1
C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)S(=O)(=O)c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CN(C)S(=O)(=O)[*:1]
O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(OCc1nnc(o1)[*:1])c1cc(nn1-c1ccccc1)-c1ccccc1
O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(OCc1nnc(o1)-c1ccccc1)c1cc(nn1-c1ccccc1)[*:1]
O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(OCc1nnc(o1)-c1ccccc1)c1cc(nn1[*:1])-c1ccccc1
Cc1sc2ncnc(NC[C@H]3CCCN(c4ncccn4)C3)c2c1C c1cnc(nc1)[*:1] Cc1sc2ncnc(NC[C@H]3CCCN(C3)[*:1])c2c1C
C[C@H](NC(=O)NCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)NCCNc1ccc(cn1)C(F)(F)F)[*:1]
C[C@H](NC(=O)NCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CCCO1 FC(F)(F)[*:1] C[C@H](NC(=O)NCCNc1ccc(cn1)[*:1])[C@@H]1CCCO1
COc1cccc2sc(NC(=O)c3ccc[n+]([O-])c3)nc12 [O-][n+]1cccc(c1)[*:1] COc1cccc2sc(nc12)NC(=O)[*:1]
Cc1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2ccc(C)c(C)c2)o1 Cc1ccc(o1)[*:1] Cc1ccc(cc1C)NC(=S)N(C[C@@H]1CCCO1)C[*:1]
Cc1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2ccc(C)c(C)c2)o1 Cc1ccc(C[*:1])o1 Cc1ccc(cc1C)NC(=S)N(C[C@@H]1CCCO1)[*:1]
Cc1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2ccc(C)c(C)c2)o1 C1CO[C@@H](C1)C[*:1] Cc1ccc(CN(C(=S)Nc2ccc(C)c(C)c2)[*:1])o1
Cc1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2ccc(C)c(C)c2)o1 Cc1ccc(cc1C)[*:1] Cc1ccc(CN(C[C@@H]2CCCO2)C(=S)N[*:1])o1
O=C(c1cscn1)N1CC[C@@H]2CCCC[C@@H]21 c1nc(cs1)[*:1] O=C(N1CC[C@@H]2CCCC[C@@H]21)[*:1]
c1ccc(Cc2ccccc2OCc2ccon2)cc1 c1cc(no1)[*:1] c1ccc(cc1)Cc1ccccc1OC[*:1]
c1ccc(Cc2ccccc2OCc2ccon2)cc1 c1cc(C[*:1])no1 c1ccc(cc1)Cc1ccccc1O[*:1]
c1ccc(Cc2ccccc2OCc2ccon2)cc1 c1ccc(cc1)[*:1] c1ccc(OCc2ccon2)c(c1)C[*:1]
C[C@H]1CCc2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc2C1 c1nnnn1[*:1] C[C@H]1CCc2nc(NC(=O)c3ccc(cc3)[*:1])sc2C1
C[C@@H](O)CCC(=O)N1CCO[C@H]2CCCC[C@@H]21 C[C@@H](O)[*:1] O=C(CC[*:1])N1CCO[C@H]2CCCC[C@@H]21
C[C@@H](O)CCC(=O)N1CCO[C@H]2CCCC[C@@H]21 C[C@@H](O)CC[*:1] O=C(N1CCO[C@H]2CCCC[C@@H]21)[*:1]
C[C@@H](O)CCC(=O)N1CCO[C@H]2CCCC[C@@H]21 C[C@@H](O)C[*:1] O=C(C[*:1])N1CCO[C@H]2CCCC[C@@H]21
O=C(Nc1ccccc1N1CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 C1CCN(CC1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc2c(=O)n3CCCCCc3nc2c1
CC1(C)[C@@H]2CC[C@@]1(C)[C@@](C#N)(Nc1ccccc1)C2 c1ccc(cc1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@](C#N)(C2)N[*:1]
CC(C)C(=O)NCCNC(=O)[C@H]1CCCCC[C@H]1[NH3+] CC(C)C(=O)N[*:1] [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCC[*:1]
CC(C)C(=O)NCCNC(=O)[C@H]1CCCCC[C@H]1[NH3+] CC(C)[*:1] [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCCNC(=O)[*:1]
CCN(CC(C)C)C(=O)N[C@](C)(CC)C(=O)[O-] CC(C)C[*:1] CCN(C(=O)N[C@](C)(CC)C(=O)[O-])[*:1]
CCN(CC(C)C)C(=O)N[C@](C)(CC)C(=O)[O-] CC(C)[*:1] CCN(C[*:1])C(=O)N[C@](C)(CC)C(=O)[O-]
CCN(CC(C)C)C(=O)N[C@](C)(CC)C(=O)[O-] O=C([O-])[*:1] CCN(CC(C)C)C(=O)N[C@](C)(CC)[*:1]
Cn1ncc2c(C(=O)NC3C4CC5CC(C4)CC3C5)cc(C3CC3)nc21 C1CC1[*:1] Cn1ncc2c(cc(nc21)[*:1])C(=O)NC1C2CC3CC(C2)CC1C3
COC[C@H](Nc1snc(C)c1C#N)C(C)C CC(C)[*:1] COC[C@H](Nc1snc(C)c1C#N)[*:1]
COC[C@H](Nc1snc(C)c1C#N)C(C)C COC[*:1] Cc1nsc(N[C@H](C(C)C)[*:1])c1C#N
Cc1noc(C)c1C[C@@H](C)C(=O)N1CCCC(C)(C)c2ccccc21 Cc1noc(C)c1C[*:1] C[C@@H](C(=O)N1CCCC(C)(C)c2ccccc21)[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)N1CCCC(C)(C)c2ccccc21 Cc1noc(C)c1[*:1] C[C@H](C[*:1])C(=O)N1CCCC(C)(C)c2ccccc21
CC(C)C[C@@H](C[NH3+])C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] CC(C)C[C@@H](C[NH3+])C(=O)N1CCC(CC1)C[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)N1CCC(CC(=O)[O-])CC1 CC(C)[*:1] [NH3+]C[C@H](C[*:1])C(=O)N1CCC(CC1)CC(=O)[O-]
CC(C)C[C@@H](C[NH3+])C(=O)N1CCC(CC(=O)[O-])CC1 CC(C)C[*:1] [NH3+]C[C@@H](C(=O)N1CCC(CC1)CC(=O)[O-])[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] CC(C)C[C@@H](C[NH3+])C(=O)N1CCC(CC1)[*:1]
CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(CS(=O)(=O)NC)cc1 CNS(=O)(=O)C[*:1] CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(cc1)[*:1]
CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(CS(=O)(=O)NC)cc1 CNS(=O)(=O)[*:1] CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(cc1)C[*:1]
NC(=O)c1ccc(CSCCOc2cccc(F)c2)cc1 NC(=O)[*:1] Fc1cccc(c1)OCCSCc1ccc(cc1)[*:1]
NC(=O)c1ccc(CSCCOc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] NC(=O)c1ccc(cc1)CSCCO[*:1]
C[NH2+][C@@H]1[C@H](N2CCC[C@H](C(F)(F)F)C2)CCC1(C)C FC(F)(F)[*:1] C[NH2+][C@@H]1[C@@H](CCC1(C)C)N1CCC[C@H](C1)[*:1]
COC(=O)c1sc(NC(=O)c2ccoc2C)nc1C1CC1 Cc1occc1[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)[*:1]
COC(=O)c1sc(NC(=O)c2ccoc2C)nc1C1CC1 COC(=O)[*:1] Cc1occc1C(=O)Nc1nc(c(s1)[*:1])C1CC1
COC(=O)c1sc(NC(=O)c2ccoc2C)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)c1ccoc1C
CCO[C@H](CCNC(=O)[C@@H]1CC1(Cl)Cl)C1CCCC1 CCO[*:1] O=C(NCC[C@H](C1CCCC1)[*:1])[C@@H]1CC1(Cl)Cl
CCO[C@H](CCNC(=O)[C@@H]1CC1(Cl)Cl)C1CCCC1 ClC1(Cl)C[C@H]1[*:1] CCO[C@H](CCNC(=O)[*:1])C1CCCC1
CCO[C@H](CCNC(=O)[C@@H]1CC1(Cl)Cl)C1CCCC1 C1CCC(C1)[*:1] CCO[C@H](CCNC(=O)[C@@H]1CC1(Cl)Cl)[*:1]
COc1ccc(-n2cnnc2SCC(=O)NC2[C@@H](C)CCC[C@@H]2C)cc1 COc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)CSc1nncn1[*:1]
Cn1nc(C(=O)NCc2ccccn2)cc1NC(=O)CCc1ccccc1 c1ccc(nc1)[*:1] Cn1nc(cc1NC(=O)CCc1ccccc1)C(=O)NC[*:1]
Cn1nc(C(=O)NCc2ccccn2)cc1NC(=O)CCc1ccccc1 c1ccc(cc1)CC[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)NCc1ccccn1
Cn1nc(C(=O)NCc2ccccn2)cc1NC(=O)CCc1ccccc1 c1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)C[*:1])C(=O)NCc1ccccn1
Cn1nc(C(=O)NCc2ccccn2)cc1NC(=O)CCc1ccccc1 c1ccc(C[*:1])nc1 Cn1nc(cc1NC(=O)CCc1ccccc1)C(=O)N[*:1]
Cn1nc(C(=O)NCc2ccccn2)cc1NC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)CC[*:1])C(=O)NCc1ccccn1
COc1ccc(N[C@H](C)[C@@H](C)C(=O)[O-])cn1 O=C([O-])[*:1] COc1ccc(cn1)N[C@H](C)[C@@H](C)[*:1]
CN(Cc1cc(-c2cccnc2)no1)C(=O)Cc1ccc2c(c1)OCO2 c1cncc(c1)[*:1] CN(Cc1cc(no1)[*:1])C(=O)Cc1ccc2OCOc2c1
C=CCCOc1cc(Br)ccc1OC C=CC[*:1] COc1ccc(Br)cc1OC[*:1]
C=CCCOc1cc(Br)ccc1OC C=CCC[*:1] COc1ccc(Br)cc1O[*:1]
CN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@@H]1c1cccs1 C1CC1[*:1] CN1C(=O)CC[C@@H](C(=O)N[*:1])[C@@H]1c1cccs1
CN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@@H]1c1cccs1 c1csc(c1)[*:1] CN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@H]1[*:1]
CN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@@H]1c1cccs1 O=C(NC1CC1)[*:1] CN1C(=O)CC[C@@H]([C@@H]1c1cccs1)[*:1]
O=C(C[C@@H]1CCCN1C(=O)CCn1ccccc1=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(CCn1ccccc1=O)N1CCC[C@H]1C[*:1]
O=C(C[C@@H]1CCCN1C(=O)CCn1ccccc1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1ccccc1=O)N1CCC[C@H]1CC(=O)[*:1]
O=C(C[C@@H]1CCCN1C(=O)CCn1ccccc1=O)c1ccccc1 O=c1ccccn1[*:1] O=C(C[C@@H]1CCCN1C(=O)CC[*:1])c1ccccc1
O=C(C[C@@H]1CCCN1C(=O)CCn1ccccc1=O)c1ccccc1 O=c1ccccn1C[*:1] O=C(C[C@@H]1CCCN1C(=O)C[*:1])c1ccccc1
COc1cc(F)cc(CNC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cc(F)cc(c1)CNC(=O)N[C@@H]1C[C@H]1[*:1]
Cn1ccnc1COC(=O)c1ccc(OCC2CC2)nc1 Cn1ccnc1[*:1] O=C(OC[*:1])c1ccc(nc1)OCC1CC1
Cn1ccnc1COC(=O)c1ccc(OCC2CC2)nc1 C1CC1[*:1] Cn1ccnc1COC(=O)c1ccc(nc1)OC[*:1]
Cn1ccnc1COC(=O)c1ccc(OCC2CC2)nc1 Cn1ccnc1C[*:1] O=C(O[*:1])c1ccc(nc1)OCC1CC1
Cn1ccnc1COC(=O)c1ccc(OCC2CC2)nc1 C1CC1C[*:1] Cn1ccnc1COC(=O)c1ccc(nc1)O[*:1]
Cn1ccnc1COC(=O)c1ccc(OCC2CC2)nc1 C1CC1CO[*:1] Cn1ccnc1COC(=O)c1ccc(nc1)[*:1]
CCc1onc(C)c1NC(=O)N[C@H](c1ccccc1)C1CCC1 C1CC(C1)[*:1] CCc1onc(C)c1NC(=O)N[C@H](c1ccccc1)[*:1]
CCc1onc(C)c1NC(=O)N[C@H](c1ccccc1)C1CCC1 c1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)N[C@H](C1CCC1)[*:1]
CCc1nnc2c(=O)n(CC(=O)Nc3ccccc3)c3ccccc3n12 c1ccc(cc1)[*:1] CCc1nnc2c(=O)n(CC(=O)N[*:1])c3ccccc3n12
CC(C)C[C@@H](C)NC(=O)c1cccc(Br)c1 CC(C)[*:1] C[C@H](C[*:1])NC(=O)c1cccc(Br)c1
CC(C)C[C@@H](C)NC(=O)c1cccc(Br)c1 CC(C)C[*:1] C[C@@H](NC(=O)c1cccc(Br)c1)[*:1]
Cc1ccccc1-n1cnnc1SCC(=O)N(C(C)C)C1CCCC1 Cc1ccccc1[*:1] CC(C)N(C(=O)CSc1nncn1[*:1])C1CCCC1
Cc1ccccc1-n1cnnc1SCC(=O)N(C(C)C)C1CCCC1 CC(C)[*:1] Cc1ccccc1-n1cnnc1SCC(=O)N(C1CCCC1)[*:1]
Cc1ccccc1-n1cnnc1SCC(=O)N(C(C)C)C1CCCC1 C1CCC(C1)[*:1] Cc1ccccc1-n1cnnc1SCC(=O)N(C(C)C)[*:1]
COc1ccc(NC(=O)C2CC2)cc1OCc1ccc2ccccc2n1 C1CC1[*:1] COc1ccc(cc1OCc1ccc2ccccc2n1)NC(=O)[*:1]
COc1ccc(NC(=O)C2CC2)cc1OCc1ccc2ccccc2n1 O=C(N[*:1])C1CC1 COc1ccc(cc1OCc1ccc2ccccc2n1)[*:1]
C[C@@H](NC(=O)N[C@H]1CCCCC[C@H]1CO)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)N[C@H]1CCCCC[C@H]1CO)[*:1]
CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 CC(C)CCNC(=O)[*:1] CN1C(=O)c2ccccc2[C@H]([C@@H]1c1cn(C)c2ccccc12)[*:1]
CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 Cn1cc(c2ccccc21)[*:1] CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1[*:1]
CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 CC(C)CC[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)N[*:1])[C@@H]1c1cn(C)c2ccccc12
CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 CC(C)[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[*:1])[C@@H]1c1cn(C)c2ccccc12
CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 CC(C)C[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)NC[*:1])[C@@H]1c1cn(C)c2ccccc12
Cc1cc(C(=O)NNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)o1 FC(F)(F)[*:1] Cc1cc(C(=O)NNS(=O)(=O)c2ccc(cc2)O[*:1])c(C)o1
Cc1cc(C(=O)NNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NNS(=O)(=O)c1ccc(cc1)OC(F)(F)F)[*:1]
Cc1cc(C(=O)NNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)o1 FC(F)(F)O[*:1] Cc1cc(C(=O)NNS(=O)(=O)c2ccc(cc2)[*:1])c(C)o1
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(-c4cc(OC)ccc4OC)n[nH]3)cc21 C=CC[*:1] COc1ccc(OC)c(c1)-c1cc([nH]n1)C(=O)Nc1ccc2OCC(C)(C)C(=O)N(c2c1)[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(-c4cc(OC)ccc4OC)n[nH]3)cc21 COc1ccc(OC)c(c1)[*:1] C=CCN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)c1cc(n[nH]1)[*:1]
Cc1cc2nccc(C3CCC(CNC(=O)C[NH+]4Cc5ccccc5C4)CC3)n2n1 Cc1cc2nccc(n2n1)[*:1] O=C(C[NH+]1Cc2ccccc2C1)NCC1CCC(CC1)[*:1]
COc1ccc([C@H](C#N)N2CCN(C(=O)COc3ccccc3)CC2)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)[C@H](C#N)N1CCN(CC1)C(=O)C[*:1]
COc1ccc([C@H](C#N)N2CCN(C(=O)COc3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] N#C[C@H](N1CCN(CC1)C(=O)COc1ccccc1)[*:1]
COc1ccc([C@H](C#N)N2CCN(C(=O)COc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](C#N)N1CCN(CC1)C(=O)CO[*:1]
COc1ccc([C@H](C#N)N2CCN(C(=O)COc3ccccc3)CC2)cc1 c1ccc(cc1)OC[*:1] COc1ccc(cc1)[C@H](C#N)N1CCN(CC1)C(=O)[*:1]
CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2OC)C1 CNC(=O)[*:1] COc1ccccc1C(=O)N1CC[C@@](Cc2ccc(cc2)-c2cccs2)(C1)[*:1]
CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2OC)C1 COc1ccccc1[*:1] CNC(=O)[C@@]1(CCN(C1)C(=O)[*:1])Cc1ccc(cc1)-c1cccs1
CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2OC)C1 c1csc(c1)[*:1] CNC(=O)[C@@]1(CCN(C1)C(=O)c1ccccc1OC)Cc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(CN(C)[C@H](C)CC#N)cc1 N#CC[*:1] CC(=O)Nc1ccc(cc1)CN(C)[C@H](C)[*:1]
CC(=O)Nc1ccc(CN(C)[C@H](C)CC#N)cc1 CC(=O)N[*:1] C[C@H](CC#N)N(C)Cc1ccc(cc1)[*:1]
Cc1cc(Br)cc(C(=O)[O-])c1Br O=C([O-])[*:1] Cc1cc(Br)cc(c1Br)[*:1]
O=C(Cn1cc(Cl)c(=O)[nH]c1=O)N[C@@H](c1ccccc1)C1CCCC1 C1CCC(C1)[*:1] O=C(Cn1cc(Cl)c(=O)[nH]c1=O)N[C@@H](c1ccccc1)[*:1]
O=C(Cn1cc(Cl)c(=O)[nH]c1=O)N[C@@H](c1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] O=C(Cn1cc(Cl)c(=O)[nH]c1=O)N[C@@H](C1CCCC1)[*:1]
CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCCC2)cc1 CNC(=O)[*:1] O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1])N1CCCC1
CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] CNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1[*:1]
CCCCN1C(=S)N[C@@H]2CS(=O)(=O)C[C@H]21 CCC[*:1] O=S1(=O)C[C@H]2NC(=S)N(C[*:1])[C@@H]2C1
CCCCN1C(=S)N[C@@H]2CS(=O)(=O)C[C@H]21 CCCC[*:1] O=S1(=O)C[C@H]2NC(=S)N([C@@H]2C1)[*:1]
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCCCC1 O=C(C[*:1])N1CCCCC1 O=c1c2ccccc2nc(S[*:1])n1Cc1ccccc1
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCCCC1 c1ccc(cc1)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])N1CCCCC1
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1C[*:1])N1CCCCC1
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=c1c2ccccc2nc(SC[*:1])n1Cc1ccccc1
COC(=O)CN(CC(C)C)c1ncnc2cccc(F)c12 COC(=O)C[*:1] CC(C)CN(c1ncnc2cccc(F)c12)[*:1]
COC(=O)CN(CC(C)C)c1ncnc2cccc(F)c12 CC(C)[*:1] COC(=O)CN(C[*:1])c1ncnc2cccc(F)c12
COC(=O)CN(CC(C)C)c1ncnc2cccc(F)c12 COC(=O)[*:1] CC(C)CN(C[*:1])c1ncnc2cccc(F)c12
COC(=O)CN(CC(C)C)c1ncnc2cccc(F)c12 CC(C)C[*:1] COC(=O)CN(c1ncnc2cccc(F)c12)[*:1]
Fc1ccc(C(c2ccc(F)cc2)N2CCN(C(=S)Nc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)C(c1ccc(F)cc1)N1CCN(CC1)C(=S)N[*:1]
Fc1ccc(C(c2ccc(F)cc2)N2CCN(C(=S)Nc3ccccc3)CC2)cc1 Fc1ccc(cc1)[*:1] Fc1ccc(cc1)C(N1CCN(CC1)C(=S)Nc1ccccc1)[*:1]
Cc1c(Br)cccc1C(=O)N(C)[C@H](C)c1ccco1 c1coc(c1)[*:1] Cc1c(Br)cccc1C(=O)N(C)[C@H](C)[*:1]
C[C@@H](CCO)SCc1cccc(/C=C/C(=O)[O-])c1 C[C@@H](CCO)[*:1] O=C([O-])/C=C/c1cccc(c1)CS[*:1]
C[C@@H](CCO)SCc1cccc(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] C[C@@H](CCO)SCc1cccc(c1)[*:1]
C[C@@H](CCO)SCc1cccc(/C=C/C(=O)[O-])c1 OCC[*:1] C[C@@H](SCc1cccc(/C=C/C(=O)[O-])c1)[*:1]
C[C@@H](CCO)SCc1cccc(/C=C/C(=O)[O-])c1 C[C@@H](CCO)S[*:1] O=C([O-])/C=C/c1cccc(c1)C[*:1]
C[C@@H](CCO)SCc1cccc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] C[C@@H](CCO)SCc1cccc(C=C[*:1])c1
C[C@@H](Sc1ccccn1)C(=O)NCc1ccc(CN2CCCC2=O)cc1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)NCc1ccc(cc1)CN1CCCC1=O
C[C@@H](Sc1ccccn1)C(=O)NCc1ccc(CN2CCCC2=O)cc1 c1ccc(nc1)S[*:1] C[C@@H](C(=O)NCc1ccc(cc1)CN1CCCC1=O)[*:1]
C[C@@H](Sc1ccccn1)C(=O)NCc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] C[C@@H](Sc1ccccn1)C(=O)NCc1ccc(cc1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)NCc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@@H](Sc1ccccn1)C(=O)NCc1ccc(cc1)C[*:1]
O=C(NCc1cccs1)c1nn(-c2ccccc2)cc1[O-] c1ccc(cc1)[*:1] O=C(NCc1cccs1)c1nn(cc1[O-])[*:1]
O=C(NCc1cccs1)c1nn(-c2ccccc2)cc1[O-] c1csc(c1)C[*:1] O=C(N[*:1])c1nn(cc1[O-])-c1ccccc1
O=C(NCc1cccs1)c1nn(-c2ccccc2)cc1[O-] c1csc(c1)[*:1] O=C(NC[*:1])c1nn(cc1[O-])-c1ccccc1
CCc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)Nc1c(C)ccc(c1C)[*:1]
CCc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])C(=O)Nc1c(C)ccc(c1C)[N+](=O)[O-]
O=C1/C(=C/c2ccc(O)c(Br)c2)NC(=S)N1C1CCCCC1 C1CCC(CC1)[*:1] O=C1/C(=C/c2ccc(O)c(Br)c2)NC(=S)N1[*:1]
NC(=O)c1cnc2n1CCN(C(=O)C[C@@H](c1ccccc1)c1ccco1)C2 c1ccc(cc1)[*:1] NC(=O)c1cnc2CN(CCn12)C(=O)C[C@@H](c1ccco1)[*:1]
NC(=O)c1cnc2n1CCN(C(=O)C[C@@H](c1ccccc1)c1ccco1)C2 c1coc(c1)[*:1] NC(=O)c1cnc2CN(CCn12)C(=O)C[C@@H](c1ccccc1)[*:1]
NC(=O)c1cnc2n1CCN(C(=O)C[C@@H](c1ccccc1)c1ccco1)C2 NC(=O)[*:1] O=C(C[C@@H](c1ccccc1)c1ccco1)N1CCn2c(cnc2C1)[*:1]
N#C[C@@]1([C@@H](O)c2ccc(F)cc2)CCCc2ccccc21 Fc1ccc(cc1)[*:1] N#C[C@]1(CCCc2ccccc21)[C@@H](O)[*:1]
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](C)CC3)cc2c1 C1CO[C@H](C1)[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)[C@@H](c1nnnn1C[*:1])N1CC[NH+](C)CC1
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](C)CC3)cc2c1 C1CO[C@H](C1)C[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)[C@@H](c1nnnn1[*:1])N1CC[NH+](C)CC1
C[C@@H]1Cc2cc(C(=O)NC3(C(=O)[O-])CCCCC3)ccc2N1S(C)(=O)=O O=C([O-])[*:1] C[C@@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)NC1(CCCCC1)[*:1]
COc1c(C)c[nH+]c(CN2CCC([NH+](C)CCc3c(C)noc3C)CC2)c1C Cc1noc(C)c1CC[*:1] COc1c(C)c[nH+]c(CN2CCC(CC2)[NH+](C)[*:1])c1C
COc1c(C)c[nH+]c(CN2CCC([NH+](C)CCc3c(C)noc3C)CC2)c1C Cc1noc(C)c1C[*:1] COc1c(C)c[nH+]c(CN2CCC(CC2)[NH+](C)C[*:1])c1C
COc1c(C)c[nH+]c(CN2CCC([NH+](C)CCc3c(C)noc3C)CC2)c1C Cc1noc(C)c1[*:1] COc1c(C)c[nH+]c(CN2CCC(CC2)[NH+](C)CC[*:1])c1C
c1snnc1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 c1snnc1[*:1] C1C[C@@H]2CO[C@H](C[NH2+]C[*:1])CN2C1
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2scnc2C2CC2)C1 C1CC1[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)c1scnc1[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2scnc2C2CC2)C1 COC(=O)C(C)(C)[*:1] O=C(c1scnc1C1CC1)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2scnc2C2CC2)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)C(=O)c1scnc1C1CC1)[*:1]
COc1ccc(N(C(=O)c2ccc(N3CCOCC3)cc2)C(C)C)cc1F COc1ccc(cc1F)[*:1] CC(C)N(C(=O)c1ccc(cc1)N1CCOCC1)[*:1]
COc1ccc(N(C(=O)c2ccc(N3CCOCC3)cc2)C(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)N(C(=O)c1ccc(cc1)N1CCOCC1)[*:1]
COc1ccc(N(C(=O)c2ccc(N3CCOCC3)cc2)C(C)C)cc1F C1CN(CCO1)[*:1] COc1ccc(cc1F)N(C(=O)c1ccc(cc1)[*:1])C(C)C
COc1cccc(C2=NC3(CCN(C(=O)c4ccc5c(c4)OCO5)CC3)NC2=O)c1 COc1cccc(c1)[*:1] O=C1NC2(CCN(CC2)C(=O)c2ccc3OCOc3c2)N=C1[*:1]
COc1cccc(C2=NC3(CCN(C(=O)c4ccc5c(c4)OCO5)CC3)NC2=O)c1 c1cc2OCOc2cc1[*:1] COc1cccc(c1)C1=NC2(CCN(CC2)C(=O)[*:1])NC1=O
O=C(Cn1ccc(C(F)(F)F)n1)N(Cc1cccc(F)c1)C1CC1 Fc1cccc(c1)[*:1] O=C(Cn1ccc(n1)C(F)(F)F)N(C[*:1])C1CC1
O=C(Cn1ccc(C(F)(F)F)n1)N(Cc1cccc(F)c1)C1CC1 Fc1cccc(c1)C[*:1] O=C(Cn1ccc(n1)C(F)(F)F)N(C1CC1)[*:1]
O=C(Cn1ccc(C(F)(F)F)n1)N(Cc1cccc(F)c1)C1CC1 C1CC1[*:1] O=C(Cn1ccc(n1)C(F)(F)F)N(Cc1cccc(F)c1)[*:1]
O=C(Cn1ccc(C(F)(F)F)n1)N(Cc1cccc(F)c1)C1CC1 FC(F)(F)[*:1] O=C(Cn1ccc(n1)[*:1])N(Cc1cccc(F)c1)C1CC1
Cc1occc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1C[C@H]1CCCO1 Cc1occc1[*:1] N#Cc1c(NC(=O)CSc2nnc(n2C[C@H]2CCCO2)[*:1])sc2CCCCCc21
COC(=O)c1ccc(C(=O)Nc2ccccc2C(C)(C)C)nc1 COC(=O)[*:1] CC(C)(C)c1ccccc1NC(=O)c1ccc(cn1)[*:1]
COC(=O)c1ccc(C(=O)Nc2ccccc2C(C)(C)C)nc1 CC(C)(C)[*:1] COC(=O)c1ccc(nc1)C(=O)Nc1ccccc1[*:1]
Cc1ccc(CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CC(=NO1)c1cccc(F)c1
Cc1ccc(CNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)CNC(=O)[C@H]1CC(=NO1)[*:1]
CN(Cc1ccc(Br)cc1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 Fc1ccccc1[*:1] CN(Cc1ccc(Br)cc1)C(=O)c1nn(c2CCCc12)[*:1]
CN(Cc1ccc(Br)cc1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 Brc1ccc(cc1)C[*:1] CN(C(=O)c1nn(-c2ccccc2F)c2CCCc12)[*:1]
CN(Cc1ccc(Br)cc1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 Brc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1nn(-c2ccccc2F)c2CCCc12
C[S@@](=O)c1ccc(CNCC(C)(C)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[S@@](=O)c1ccc(cc1)CNCC(C)(C)[*:1]
C[C@@H]1CN(C(=O)c2cnn3c(-c4ccccc4)ccnc23)c2ccccc21 c1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)c2cnn3c(ccnc23)[*:1])c2ccccc21
CCc1cccc(CC)c1NC(=O)Nc1cnn(Cc2ccncc2)c1 c1cc(ccn1)C[*:1] CCc1cccc(CC)c1NC(=O)Nc1cnn(c1)[*:1]
CCc1cccc(CC)c1NC(=O)Nc1cnn(Cc2ccncc2)c1 c1cc(ccn1)[*:1] CCc1cccc(CC)c1NC(=O)Nc1cnn(c1)C[*:1]
N#Cc1cccc(C(=O)N2CCC[C@H]2c2cccs2)c1 c1csc(c1)[*:1] N#Cc1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
Cc1nnc2ccc(NCc3ccc([N+](=O)[O-])cc3)nn12 O=[N+]([O-])[*:1] Cc1nnc2ccc(nn12)NCc1ccc(cc1)[*:1]
CS[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CS[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(no1)[*:1]
COc1ccc(NC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)NCC1CC[NH+](CC1)C[*:1]
COc1ccc(NC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1CC[NH+](CC1)Cc1cccc(Cl)c1)N[*:1]
COc1ccc(NC(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 Clc1cccc(c1)C[*:1] COc1ccc(cc1)NC(=O)NCC1CC[NH+](CC1)[*:1]
CN(Cc1ccccc1Cl)C(=O)Nc1ccc2c(c1)NC(=O)CS2 Clc1ccccc1C[*:1] CN(C(=O)Nc1ccc2SCC(=O)Nc2c1)[*:1]
CN(Cc1ccccc1Cl)C(=O)Nc1ccc2c(c1)NC(=O)CS2 Clc1ccccc1[*:1] CN(C[*:1])C(=O)Nc1ccc2SCC(=O)Nc2c1
C[C@@H](CNc1cnn(C)c(=O)c1Br)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](CNc1cnn(C)c(=O)c1Br)O[*:1]
Cc1cc(C)c(C(=O)N(C)CC(=O)Nc2cccc(C)n2)c(C)c1 Cc1cccc(n1)[*:1] Cc1cc(C)c(C(=O)N(C)CC(=O)N[*:1])c(C)c1
COC(=O)[C@H]1CCCCN1Cc1cccc(C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] COC(=O)[C@H]1CCCCN1Cc1cccc(c1)C(=O)N[*:1]
COC(=O)[C@H]1CCCCN1Cc1cccc(C(=O)NCc2ccco2)c1 COC(=O)[*:1] O=C(NCc1ccco1)c1cccc(c1)CN1CCCC[C@@H]1[*:1]
COC(=O)[C@H]1CCCCN1Cc1cccc(C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] COC(=O)[C@H]1CCCCN1Cc1cccc(c1)C(=O)NC[*:1]
C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cccc(N2CCCC2)c1 FC(F)O[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1cccc(c1)N1CCCC1
C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cccc(N2CCCC2)c1 FC(F)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)O[*:1])c1cccc(c1)N1CCCC1
C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)OC(F)F)c1cccc(c1)[*:1]
Cc1cc(N2CCO[C@H]3CCC[C@@H]32)c([C@@H](C)O)cc1F C[C@@H](O)[*:1] Cc1cc(c(cc1F)[*:1])N1CCO[C@H]2CCC[C@@H]21
COc1ccc2c(c1)CCN(C(=O)c1ccnc(-n3cnnc3)c1)CC2 c1nncn1[*:1] COc1ccc2CCN(CCc2c1)C(=O)c1ccnc(c1)[*:1]
COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCCC(C)C)cc1 CC(C)CCNC(=O)[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cccc(Cl)c1
COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCCC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)NC[*:1])C(=O)c1cccc(Cl)c1
COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCCC(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)CCNC(=O)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1cccc(Cl)c1
COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCCC(C)C)cc1 CC(C)CC[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)N[*:1])C(=O)c1cccc(Cl)c1
COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCCC(C)C)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)NCCC(C)C)C(=O)[*:1]
COc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)NCCC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)NCC[*:1])C(=O)c1cccc(Cl)c1
Cc1cc(C)cc(-n2ccnc2SC/C([O-])=N/S(=O)(=O)c2cccc3ncccc23)c1 c1cc(c2cccnc2c1)[*:1] Cc1cc(C)cc(c1)-n1ccnc1SC/C([O-])=N/S(=O)(=O)[*:1]
Cc1cc(C)cc(-n2ccnc2SC/C([O-])=N/S(=O)(=O)c2cccc3ncccc23)c1 Cc1cc(C)cc(c1)[*:1] O=S(=O)(/N=C(\[O-])CSc1nccn1[*:1])c1cccc2ncccc12
O=C(c1ccc(F)cc1)N1CCC(c2cnn(-c3ccccc3)c2)CC1 Fc1ccc(cc1)[*:1] O=C(N1CCC(CC1)c1cnn(c1)-c1ccccc1)[*:1]
O=C(c1ccc(F)cc1)N1CCC(c2cnn(-c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(F)cc1)N1CCC(CC1)c1cnn(c1)[*:1]
C[C@@H](Nc1ccccc1[N+](=O)[O-])C(=O)N(C)C O=[N+]([O-])[*:1] C[C@@H](Nc1ccccc1[*:1])C(=O)N(C)C
C[C@@H](Nc1ccccc1[N+](=O)[O-])C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](Nc1ccccc1[N+](=O)[O-])[*:1]
C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](NC(=O)c1ccc2CCCCc2c1)[*:1]
Cc1ccc(Cc2cnc(NC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)s2)cc1F Cc1ccc(cc1F)[*:1] Cc1cc(cc(c1C)S(=O)(=O)N(C)C)C(=O)Nc1ncc(C[*:1])s1
Cc1ccc(Cc2cnc(NC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)s2)cc1F Cc1ccc(cc1F)C[*:1] Cc1cc(cc(c1C)S(=O)(=O)N(C)C)C(=O)Nc1ncc(s1)[*:1]
Cc1ccc(Cc2cnc(NC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)s2)cc1F CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1F)Cc1cnc(NC(=O)c2cc(C)c(C)c(c2)[*:1])s1
CCOC(=O)N1CCN(C(=O)C[C@H](C(=O)N2CCc3ccccc32)n2ccnc2)CC1 c1cn(cn1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)C[C@H](C(=O)N1CCc2ccccc21)[*:1]
CON(C)C(=O)c1ccc(NC(=O)[C@H]2CCCS2)cc1 CON(C)C(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCS1
CCCn1cc[nH+]c1CCC[C@H](C)Cl C[C@H](Cl)C[*:1] CCCn1cc[nH+]c1CC[*:1]
CCCn1cc[nH+]c1CCC[C@H](C)Cl C[C@H](Cl)[*:1] CCCn1cc[nH+]c1CCC[*:1]
CCCn1cc[nH+]c1CCC[C@H](C)Cl CCC[*:1] C[C@H](Cl)CCCc1[nH+]ccn1[*:1]
CCOC(=O)C/C(C)=N/NC(=O)c1sc2ccccc2c1Cl CCOC(=O)[*:1] C/C(C[*:1])=N\NC(=O)c1sc2ccccc2c1Cl
CCOC(=O)C/C(C)=N/NC(=O)c1sc2ccccc2c1Cl CCOC(=O)C[*:1] CC(=NNC(=O)c1sc2ccccc2c1Cl)[*:1]
O=c1oc2cc(OC[C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc2c2c1CCC2 Fc1ccc(cc1)[*:1] O=c1oc2cc(ccc2c2CCCc21)OC[C@H](O)CN1CCN(CC1)[*:1]
Cc1cccc(O[C@H](C)CNC(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)c1 NC(=O)N[*:1] Cc1cccc(c1)O[C@H](C)CNC(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1cccc(O[C@H](C)CNC(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)c1 Cc1cccc(c1)O[*:1] C[C@@H](NC(=O)NC[C@@H](C)[*:1])c1ccc(cc1)NC(N)=O
Cc1cccc(O[C@H](C)CNC(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)N[C@H](C)c1ccc(cc1)NC(N)=O)O[*:1]
CC(=O)Nc1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)c1 CC(=O)N[*:1] Cc1ccc(cc1Cl)NC(=O)Nc1cccc(c1)[*:1]
O=S(=O)(c1cccc2nsnc12)N1CCN(c2nc3cccnc3s2)CC1 c1cc(c2nsnc2c1)[*:1] O=S(=O)(N1CCN(CC1)c1nc2cccnc2s1)[*:1]
O=S(=O)(c1cccc2nsnc12)N1CCN(c2nc3cccnc3s2)CC1 c1cnc2sc(nc2c1)[*:1] O=S(=O)(c1cccc2nsnc12)N1CCN(CC1)[*:1]
CC(C)c1ccccc1NC(=O)COC(=O)c1cc(=O)[nH]c([O-])n1 CC(C)[*:1] O=C(COC(=O)c1cc(=O)[nH]c([O-])n1)Nc1ccccc1[*:1]
CCNC(=O)[C@@H](C)Oc1ccc(C[NH2+]C2CC2)cc1 CCNC(=O)[*:1] C[C@@H](Oc1ccc(cc1)C[NH2+]C1CC1)[*:1]
CCNC(=O)[C@@H](C)Oc1ccc(C[NH2+]C2CC2)cc1 C1CC1[*:1] CCNC(=O)[C@@H](C)Oc1ccc(cc1)C[NH2+][*:1]
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2csnn2)NC(=O)N1 c1snnc1[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1cccc(Cl)c1)[*:1]
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2csnn2)NC(=O)N1 Clc1cccc(c1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1csnn1
C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)Cc1cccc(F)c1 CC(C)(C)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1cccc(F)c1
Brc1cnc(NC2CC2)cn1 C1CC1[*:1] Brc1cnc(cn1)N[*:1]
CC(=O)Nc1c(C)cc(NC(=O)C(=O)N[C@@H](C)C(C)C)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)C(=O)N[C@@H](C)C(C)C
CC(=O)Nc1c(C)cc(NC(=O)C(=O)N[C@@H](C)C(C)C)cc1C CC(C)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)C(=O)N[C@@H](C)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)C(=O)N[C@@H](C)C(C)C)cc1C CC(C)[C@H](C)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)C(=O)N[*:1]
COCCN1[C@H](C)C[NH+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1C c1cnc(cn1)O[*:1] COCCN1[C@H](C)C[NH+](Cc2ccc(cc2)[*:1])C[C@H]1C
COCCN1[C@H](C)C[NH+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1C c1cnc(cn1)[*:1] COCCN1[C@H](C)C[NH+](Cc2ccc(cc2)O[*:1])C[C@H]1C
COCCN1[C@H](C)C[NH+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1C COCC[*:1] C[C@@H]1C[NH+](Cc2ccc(cc2)Oc2cnccn2)C[C@@H](C)N1[*:1]
COCCN1[C@H](C)C[NH+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1C COC[*:1] C[C@@H]1C[NH+](Cc2ccc(cc2)Oc2cnccn2)C[C@@H](C)N1C[*:1]
CN(CCOCC1CC1)c1cc(Br)ccc1N C1CC1CO[*:1] CN(CC[*:1])c1cc(Br)ccc1N
CN(CCOCC1CC1)c1cc(Br)ccc1N C1CC1C[*:1] CN(CCO[*:1])c1cc(Br)ccc1N
CN(CCOCC1CC1)c1cc(Br)ccc1N C1CC1[*:1] CN(CCOC[*:1])c1cc(Br)ccc1N
Cc1cc(OCC(=O)Nc2ccc(C)c(C)c2)no1 Cc1cc(no1)[*:1] Cc1ccc(cc1C)NC(=O)CO[*:1]
CCOc1ccc(CNC(=O)C2CCN(c3cc(C)c4cc(NC(C)=O)ccc4[nH+]3)CC2)cc1 CC(=O)N[*:1] CCOc1ccc(cc1)CNC(=O)C1CCN(CC1)c1cc(C)c2cc(ccc2[nH+]1)[*:1]
CCOc1ccc(CNC(=O)C2CCN(c3cc(C)c4cc(NC(C)=O)ccc4[nH+]3)CC2)cc1 CCO[*:1] CC(=O)Nc1ccc2[nH+]c(cc(C)c2c1)N1CCC(CC1)C(=O)NCc1ccc(cc1)[*:1]
CCOc1ccc(CNC(=O)C2CCN(c3cc(C)c4cc(NC(C)=O)ccc4[nH+]3)CC2)cc1 CCOc1ccc(cc1)C[*:1] CC(=O)Nc1ccc2[nH+]c(cc(C)c2c1)N1CCC(CC1)C(=O)N[*:1]
CCOc1ccc(CNC(=O)C2CCN(c3cc(C)c4cc(NC(C)=O)ccc4[nH+]3)CC2)cc1 CCOc1ccc(cc1)[*:1] CC(=O)Nc1ccc2[nH+]c(cc(C)c2c1)N1CCC(CC1)C(=O)NC[*:1]
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1])c1ccc(F)cc1
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[*:1])c1ccc(F)cc1
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCC(F)(F)F)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[*:1]
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(F)(F)F)c1ccc(F)cc1 O=C(NCC(F)(F)F)[*:1] O=C(N[C@@H](Cc1c[nH]c2ccccc12)[*:1])c1ccc(F)cc1
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(F)(F)F)c1ccc(F)cc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@@H](C[*:1])C(=O)NCC(F)(F)F)c1ccc(F)cc1
CCCOc1ccc(/C=N\NC(=O)c2ccn(C)n2)cc1 CCCO[*:1] Cn1ccc(n1)C(=O)N/N=C\c1ccc(cc1)[*:1]
CCCOc1ccc(/C=N\NC(=O)c2ccn(C)n2)cc1 Cn1ccc(n1)[*:1] CCCOc1ccc(/C=N\NC(=O)[*:1])cc1
CCCOc1ccc(/C=N\NC(=O)c2ccn(C)n2)cc1 CCC[*:1] Cn1ccc(n1)C(=O)N/N=C\c1ccc(cc1)O[*:1]
C[C@@H](O)CCC(=O)N(C)Cc1ccncc1 C[C@@H](O)CC[*:1] CN(Cc1ccncc1)C(=O)[*:1]
C[C@@H](O)CCC(=O)N(C)Cc1ccncc1 C[C@@H](O)C[*:1] CN(Cc1ccncc1)C(=O)C[*:1]
C[C@@H](O)CCC(=O)N(C)Cc1ccncc1 C[C@@H](O)[*:1] CN(Cc1ccncc1)C(=O)CC[*:1]
Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(O)=N2 FC(F)(F)c1ccccc1[*:1] Cc1nn(-c2ccc3nnc(C)n3n2)c2N=C(O)C[C@H](c12)[*:1]
Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(O)=N2 FC(F)(F)[*:1] Cc1nn(-c2ccc3nnc(C)n3n2)c2N=C(O)C[C@H](c3ccccc3[*:1])c12
Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(O)=N2 Cc1nnc2ccc(nn12)[*:1] Cc1nn(c2N=C(O)C[C@H](c3ccccc3C(F)(F)F)c12)[*:1]
C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CCO1 O=[N+]([O-])[*:1] C[C@@H]1CN(CCO1)C(=O)c1n[nH]c2ccc(cc12)[*:1]
CC(C)NC(=O)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 CC(C)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc2nnnn2n1
CC(C)NC(=O)[C@@H]1CCCN(c2ccc3nnnn3n2)C1 CC(C)NC(=O)[*:1] c1cc2nnnn2nc1N1CCC[C@H](C1)[*:1]
C[C@@H](SCc1ccccc1)C(=O)NC[C@H]1Cc2ccccc2O1 c1ccc(cc1)[*:1] C[C@@H](SC[*:1])C(=O)NC[C@H]1Cc2ccccc2O1
C[C@@H](SCc1ccccc1)C(=O)NC[C@H]1Cc2ccccc2O1 c1ccc(cc1)C[*:1] C[C@@H](S[*:1])C(=O)NC[C@H]1Cc2ccccc2O1
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(SCc3cscn3)cc2)cc1 c1nc(cs1)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)c1ccc(cc1)SC[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(SCc3cscn3)cc2)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(cc1)SCc1cscn1
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(SCc3cscn3)cc2)cc1 c1nc(cs1)CS[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(SCc3cscn3)cc2)cc1 c1nc(cs1)C[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)c1ccc(cc1)S[*:1]
O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)CC1 Clc1ccccc1[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(o1)-c1ccn[nH]1
O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)CC1 c1cc([nH]n1)[*:1] O=C(NCc1ccccc1Cl)C1CCN(CC1)S(=O)(=O)c1ccc(o1)[*:1]
O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)CC1 Clc1ccccc1C[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(o1)-c1ccn[nH]1
Cc1ccc(CCNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)(C)OC(=O)N1CC(CC(=O)NCC[*:1])C1
Cc1ccc(CCNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)c(C)c1 CC(C)(C)[*:1] Cc1ccc(CCNC(=O)CC2CN(C2)C(=O)O[*:1])c(C)c1
CCOCCNC(=O)C1CCOCC1 CCOC[*:1] O=C(NC[*:1])C1CCOCC1
CCOCCNC(=O)C1CCOCC1 CCO[*:1] O=C(NCC[*:1])C1CCOCC1
O=C(C1CCCCC1)N1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(C1CCCCC1)N1CCN(CC1)C(=O)[*:1]
O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)N1CC[C@@H]2CCCC[C@H]21 C1CC1[*:1] O=C(NC1CCN(CC1)S(=O)(=O)[*:1])N1CC[C@@H]2CCCC[C@H]21
CC(C)[C@@H](NC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1)c1ccccc1 CC(C)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N1CCN(CC1)C(=O)[C@H]1C[C@H]1C)[*:1]
CC(C)c1nc([C@H](C)NC(=O)C[C@H]2SC(N)=NC2=O)cs1 CC(C)[*:1] C[C@H](NC(=O)C[C@H]1SC(N)=NC1=O)c1csc(n1)[*:1]
O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1cccnc1 FC(F)(F)[*:1] O=C(NNC(=S)Nc1cccc(c1)[*:1])c1cccnc1
O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1cccnc1 c1cncc(c1)[*:1] O=C(NNC(=S)Nc1cccc(c1)C(F)(F)F)[*:1]
CCOc1ccc(F)c(C(=O)NC2CCN(C(=O)OC)CC2)c1F CCO[*:1] COC(=O)N1CCC(CC1)NC(=O)c1c(F)ccc(c1F)[*:1]
Cc1ccccc1N1C(=O)C2=CN=NC2=N[C@@H]1SCc1ccc(C(F)(F)F)cc1 Cc1ccccc1[*:1] O=C1C2=CN=NC2=N[C@H](SCc2ccc(cc2)C(F)(F)F)N1[*:1]
Cc1ccccc1N1C(=O)C2=CN=NC2=N[C@@H]1SCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccccc1N1C(=O)C2=CN=NC2=N[C@@H]1SCc1ccc(cc1)[*:1]
C[C@@H](Sc1nnc(-c2cccs2)o1)c1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(o1)-c1cccs1)c1nnnn1[*:1]
C[C@@H](Sc1nnc(-c2cccs2)o1)c1nnnn1-c1ccccc1 c1csc(c1)[*:1] C[C@@H](Sc1nnc(o1)[*:1])c1nnnn1-c1ccccc1
COC(=O)N1CCC[C@@H]1C(=O)NCc1ccc[nH]1 c1c[nH]c(c1)[*:1] COC(=O)N1CCC[C@@H]1C(=O)NC[*:1]
COC(=O)N1CCC[C@@H]1C(=O)NCc1ccc[nH]1 c1c[nH]c(c1)C[*:1] COC(=O)N1CCC[C@@H]1C(=O)N[*:1]
C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 c1cncc(c1)O[*:1] C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1[*:1]
C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 c1cncc(c1)[*:1] C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1O[*:1]
CC(=O)[C@@H]1C[C@H](CC(=O)NC(=S)Nc2c(C)cc(C)cc2C)C1(C)C CC(=O)[*:1] Cc1cc(C)c(NC(=S)NC(=O)C[C@H]2C[C@H](C2(C)C)[*:1])c(C)c1
COC(=O)[C@@H]([NH2+]C1CCCC1)c1ccccc1F COC(=O)[*:1] Fc1ccccc1[C@H]([NH2+]C1CCCC1)[*:1]
COC(=O)[C@@H]([NH2+]C1CCCC1)c1ccccc1F C1CCC(C1)[*:1] COC(=O)[C@@H]([NH2+][*:1])c1ccccc1F
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H](NC1CCCC1)C(Cl)(Cl)Cl C1CCC(C1)[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H](N[*:1])C(Cl)(Cl)Cl
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H](NC1CCCC1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H](NC1CCCC1)[*:1]
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H](NC1CCCC1)C(Cl)(Cl)Cl C1CCC(C1)N[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H](C(Cl)(Cl)Cl)[*:1]
CC(C)c1noc(CCNC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)c1noc(CCNC(=O)[C@H]2CCCN2C(=O)N[*:1])n1
CC(C)c1noc(CCNC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)n1 CC(C)c1noc(C[*:1])n1 O=C(NC[*:1])[C@H]1CCCN1C(=O)Nc1ccccc1
CC(C)c1noc(CCNC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)n1 CC(C)c1noc(n1)[*:1] O=C(NCC[*:1])[C@H]1CCCN1C(=O)Nc1ccccc1
CC(C)c1noc(CCNC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)n1 CC(C)[*:1] O=C(NCCc1nc(no1)[*:1])[C@H]1CCCN1C(=O)Nc1ccccc1
CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)C1 CC(C)CCNC(=O)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCC[C@@H](C1)[*:1])c1ccccc1Cl
CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)C1 O=C(N[*:1])c1ccccc1Cl CC(C)CCNC(=O)[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)C1 Clc1ccccc1[*:1] CC(C)CCNC(=O)[C@H]1CCCN(C1)C(=O)c1cccc(c1)NC(=O)[*:1]
CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)C1 CC(C)C[*:1] O=C(Nc1cccc(c1)C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1])c1ccccc1Cl
CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)C1 CC(C)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCC[C@@H](C1)C(=O)NCC[*:1])c1ccccc1Cl
CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)C1 CC(C)CC[*:1] O=C(Nc1cccc(c1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1])c1ccccc1Cl
Cc1c[nH]c(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])c1 O=C([O-])[*:1] Cc1c[nH]c(c1)C(=O)N1CCC2(CC1)NC(=O)C[C@H]2[*:1]
Cc1c[nH]c(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])c1 Cc1c[nH]c(c1)[*:1] O=C1C[C@H](C(=O)[O-])C2(CCN(CC2)C(=O)[*:1])N1
CC(C)N1C(=O)NC(=N)[C@]12CC[C@@H](C)C[C@H]2C CC(C)[*:1] C[C@@H]1CC[C@]2(C(=N)NC(=O)N2[*:1])[C@H](C)C1
O=C(NNS(=O)(=O)c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 Clc1ccc(s1)[*:1] O=C(NNS(=O)(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(NNS(=O)(=O)c1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NNS(=O)(=O)c1ccc(Cl)s1)c1cccc(c1)[*:1]
COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)COc2ccc(c(C)c2)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)COc2ccc(c(C)c2)[N+](=O)[O-])c(c1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1)c1ccc(Cl)cc1 c1cncc(c1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccncc1)c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] O=C1C([O-])=C([C@H](c2ccncc2)N1Cc1cccnc1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccncc2)N1Cc1cccnc1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1)c1ccc(Cl)cc1 c1cncc(c1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccncc1)[*:1])c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1)c1ccc(Cl)cc1 c1cc(ccn1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1[*:1])c1ccc(Cl)cc1
COCC[NH2+]CC(=O)N1CCC[C@H](c2cc[nH]n2)C1 c1cc(n[nH]1)[*:1] COCC[NH2+]CC(=O)N1CCC[C@H](C1)[*:1]
COCC[NH2+]CC(=O)N1CCC[C@H](c2cc[nH]n2)C1 COCC[*:1] O=C(C[NH2+][*:1])N1CCC[C@@H](C1)c1cc[nH]n1
COCC[NH2+]CC(=O)N1CCC[C@H](c2cc[nH]n2)C1 COC[*:1] O=C(C[NH2+]C[*:1])N1CCC[C@@H](C1)c1cc[nH]n1
Fc1ccccc1SCC[NH2+]Cc1ccco1 c1coc(c1)[*:1] Fc1ccccc1SCC[NH2+]C[*:1]
O=C(Nc1cccs1)Nc1nc(-c2cc3ccccc3oc2=O)cs1 c1csc(c1)[*:1] O=C(Nc1nc(cs1)-c1cc2ccccc2oc1=O)N[*:1]
C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[NH+](C)CC1 C1CC1[*:1] C[C@H](C(=O)N(C)CC(=O)N[*:1])N1CC[NH+](C)CC1
C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[NH+](C)CC1 O=C(NC1CC1)[*:1] C[C@H](C(=O)N(C)C[*:1])N1CC[NH+](C)CC1
C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1ccc(O)cc1 c1csc(c1)C[*:1] C[C@@H](N(C)S(=O)(=O)c1ccc(O)cc1)[*:1]
C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1ccc(O)cc1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)S(=O)(=O)c1ccc(O)cc1
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)CCC1CCCCC1 C1CCC(CC1)CC[*:1] Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)[*:1]
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)CCC1CCCCC1 Fc1ccc(cc1)C[*:1] Cc1nn(c(C)c1NC(=O)CCC1CCCCC1)[*:1]
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)CCC1CCCCC1 C1CCC(CC1)[*:1] Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)CC[*:1]
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)CCC1CCCCC1 Fc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)CCC1CCCCC1
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)CCC1CCCCC1 C1CCC(CC1)C[*:1] Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C[*:1]
Cc1ccc([C@H](C)NC(=O)C2=NN(c3ccccc3)C(=O)CN2)o1 Cc1ccc(o1)[C@H](C)[*:1] O=C(N[*:1])C1=NN(C(=O)CN1)c1ccccc1
Cc1ccc([C@H](C)NC(=O)C2=NN(c3ccccc3)C(=O)CN2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)C1=NN(C(=O)CN1)[*:1]
Cc1ccc([C@H](C)NC(=O)C2=NN(c3ccccc3)C(=O)CN2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)C1=NN(C(=O)CN1)c1ccccc1)[*:1]
COc1ccc([S@](=O)Nc2ccccc2)c(OC)c1C c1ccc(cc1)[*:1] COc1ccc(c(OC)c1C)[S@](=O)N[*:1]
CCN(CC)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 c1nnc(s1)[*:1] CCN(CC)C(=O)N1CCC(CC1)C(=O)N[*:1]
CCCC[C@@H](CC)C(=O)Nc1ccccc1O CCC[*:1] CC[C@H](C[*:1])C(=O)Nc1ccccc1O
CCCC[C@@H](CC)C(=O)Nc1ccccc1O CCCC[*:1] CC[C@@H](C(=O)Nc1ccccc1O)[*:1]
Cc1cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccccc1 OCC[*:1] Cc1cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1-c1ccccc1
Cc1cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1[*:1]
Cc1cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccccc1 OCCC[*:1] Cc1cn2c3c(=O)n(c(=O)n(C)c3nc2n1-c1ccccc1)[*:1]
Fc1cc(NCc2nnnn2C2CC2)ccc1Cl C1CC1[*:1] Fc1cc(ccc1Cl)NCc1nnnn1[*:1]
COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H]1CCCC[C@H]1NC(=O)[*:1])[C@H]1CCCN(C1)C(=O)c1ccccc1
COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 COc1ccc(cc1)C(=O)N[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])[C@H]1CCCN(C1)C(=O)c1ccccc1
CC[C@@]1(C)NC(=O)[C@H](C(C)C)N(Cc2cscc2C)C1=O Cc1cscc1[*:1] CC[C@@]1(C)NC(=O)[C@H](C(C)C)N(C[*:1])C1=O
CC[C@@]1(C)NC(=O)[C@H](C(C)C)N(Cc2cscc2C)C1=O Cc1cscc1C[*:1] CC[C@@]1(C)NC(=O)[C@H](C(C)C)N(C1=O)[*:1]
CC[C@@]1(C)NC(=O)[C@H](C(C)C)N(Cc2cscc2C)C1=O CC(C)[*:1] CC[C@@]1(C)NC(=O)[C@H](N(Cc2cscc2C)C1=O)[*:1]
CCCCCCN1C(=O)C2(OCCO2)c2cccc(Cl)c21 CCCCC[*:1] O=C1N(C[*:1])c2c(Cl)cccc2C12OCCO2
CCCCCCN1C(=O)C2(OCCO2)c2cccc(Cl)c21 CCC[*:1] O=C1N(CCC[*:1])c2c(Cl)cccc2C12OCCO2
CCCCCCN1C(=O)C2(OCCO2)c2cccc(Cl)c21 CCCC[*:1] O=C1N(CC[*:1])c2c(Cl)cccc2C12OCCO2
CCCCCCN1C(=O)C2(OCCO2)c2cccc(Cl)c21 CCCCCC[*:1] O=C1N(c2c(Cl)cccc2C12OCCO2)[*:1]
Fc1cccc(CN[C@@H](c2ccccc2)c2ccccn2)c1Cl c1ccc(cc1)[*:1] Fc1cccc(CN[C@@H](c2ccccn2)[*:1])c1Cl
Fc1cccc(CN[C@@H](c2ccccc2)c2ccccn2)c1Cl c1ccc(nc1)[*:1] Fc1cccc(CN[C@@H](c2ccccc2)[*:1])c1Cl
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 COc1ccc(cc1NC(=O)c1ccc(C)c(c1)[*:1])S(=O)(=O)N(C)C
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] COc1ccc(cc1NC(=O)c1ccc(C)c(c1)NC(=O)[*:1])S(=O)(=O)N(C)C
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 CN(C)S(=O)(=O)[*:1] COc1ccc(cc1NC(=O)c1ccc(C)c(c1)NC(=O)c1ccco1)[*:1]
CCC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 CCC(=O)N[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1nc2ccccc2[nH]1
Cc1cc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)on1 FC(F)(F)[*:1] Cc1cc(CCNC(=O)Nc2cccc(c2)[*:1])on1
Cc1cc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)on1 Cc1cc(on1)[*:1] O=C(NCC[*:1])Nc1cccc(c1)C(F)(F)F
Cc1cc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)on1 Cc1cc(C[*:1])on1 O=C(NC[*:1])Nc1cccc(c1)C(F)(F)F
Cc1ccc2c(c1C)[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)CCO2 CC(C)(C)[*:1] Cc1ccc2OCC[C@@H]([NH2+][C@@H]3CC(=O)N(C3)[*:1])c2c1C
Cc1c(C#N)c(NC(=O)CSc2ccc(F)cc2)n(Cc2ccco2)c1C c1coc(c1)[*:1] Cc1c(C#N)c(NC(=O)CSc2ccc(F)cc2)n(C[*:1])c1C
Cc1c(C#N)c(NC(=O)CSc2ccc(F)cc2)n(Cc2ccco2)c1C Fc1ccc(cc1)S[*:1] Cc1c(C#N)c(NC(=O)C[*:1])n(Cc2ccco2)c1C
Cc1c(C#N)c(NC(=O)CSc2ccc(F)cc2)n(Cc2ccco2)c1C Fc1ccc(cc1)SC[*:1] Cc1c(C#N)c(NC(=O)[*:1])n(Cc2ccco2)c1C
Cc1c(C#N)c(NC(=O)CSc2ccc(F)cc2)n(Cc2ccco2)c1C Fc1ccc(cc1)[*:1] Cc1c(C#N)c(NC(=O)CS[*:1])n(Cc2ccco2)c1C
Cc1c(C#N)c(NC(=O)CSc2ccc(F)cc2)n(Cc2ccco2)c1C c1coc(c1)C[*:1] Cc1c(C#N)c(NC(=O)CSc2ccc(F)cc2)n(c1C)[*:1]
CC(C)OC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccnc1 CC(C)[*:1] NC1Oc2c(c(=O)sc3ccccc23)[C@H](C=1C(=O)O[*:1])c1cccnc1
CC(C)OC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccnc1 c1cncc(c1)[*:1] CC(C)OC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1[*:1]
CC(C)OC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccnc1 CC(C)OC(=O)[*:1] NC1Oc2c(c(=O)sc3ccccc23)[C@H](C=1[*:1])c1cccnc1
CCc1ccc([C@@H]2CCCCN2C(=O)C[C@H](O)c2ccccc2)o1 CCc1ccc(o1)[*:1] O=C(C[C@H](O)c1ccccc1)N1CCCC[C@H]1[*:1]
CCc1ccc([C@@H]2CCCCN2C(=O)C[C@H](O)c2ccccc2)o1 O[C@H](c1ccccc1)[*:1] CCc1ccc(o1)[C@@H]1CCCCN1C(=O)C[*:1]
CCc1ccc([C@@H]2CCCCN2C(=O)C[C@H](O)c2ccccc2)o1 c1ccc(cc1)[*:1] CCc1ccc(o1)[C@@H]1CCCCN1C(=O)C[C@H](O)[*:1]
CC(=O)Nc1cccc([C@@H](C)NC[C@@H](C)c2nc(-c3ccccc3)no2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)[C@@H](C)NC[C@@H](C)c1nc(no1)[*:1]
CC(=O)Nc1cccc([C@@H](C)NC[C@@H](C)c2nc(-c3ccccc3)no2)c1 CC(=O)N[*:1] C[C@H](CN[C@H](C)c1cccc(c1)[*:1])c1nc(no1)-c1ccccc1
CC1(C)NC(=O)N(CCCCSc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CC1(C)NC(=O)N(CCCCS[*:1])C1=O
C[C@@H]1CN(CC(=O)NC(=O)Cc2ccccc2)CC[C@@H]1[NH3+] c1ccc(cc1)C[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])CC(=O)NC(=O)[*:1]
C[C@@H]1CN(CC(=O)NC(=O)Cc2ccccc2)CC[C@@H]1[NH3+] c1ccc(cc1)[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])CC(=O)NC(=O)C[*:1]
CS[C@H]1CC[C@@H](NC(=O)CN(CCc2ccccc2)C(C)=O)C1 c1ccc(cc1)C[*:1] CS[C@H]1CC[C@H](C1)NC(=O)CN(C[*:1])C(C)=O
CS[C@H]1CC[C@@H](NC(=O)CN(CCc2ccccc2)C(C)=O)C1 c1ccc(cc1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)CN(CC[*:1])C(C)=O
COC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccc(C)o1 COC[*:1] Cc1ccc(o1)[C@@H]([NH2+]Cc1cccc2OCCCOc12)[*:1]
COC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccc(C)o1 Cc1ccc(o1)[*:1] COC[C@H]([NH2+]Cc1cccc2OCCCOc12)[*:1]
COc1ccc(Cl)cc1NC(=O)N1CCn2cccc2[C@@H]1Cc1ccccc1 COc1ccc(Cl)cc1[*:1] O=C(N[*:1])N1CCn2cccc2[C@@H]1Cc1ccccc1
COc1ccc(Cl)cc1NC(=O)N1CCn2cccc2[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)N1CCn2cccc2[C@@H]1C[*:1]
COc1ccc(Cl)cc1NC(=O)N1CCn2cccc2[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(Cl)cc1NC(=O)N1CCn2cccc2[C@H]1[*:1]
COc1ccc(Cc2nnc(SCc3nc4c(C)cccc4c(=O)[nH]3)o2)cc1 COc1ccc(cc1)C[*:1] Cc1cccc2c(=O)[nH]c(CSc3nnc(o3)[*:1])nc12
COc1ccc(Cc2nnc(SCc3nc4c(C)cccc4c(=O)[nH]3)o2)cc1 COc1ccc(cc1)[*:1] Cc1cccc2c(=O)[nH]c(CSc3nnc(C[*:1])o3)nc12
CCN(C)C(=O)c1oc2ccccc2c1C[NH+](C)C CCN(C)C(=O)[*:1] C[NH+](C)Cc1c(oc2ccccc12)[*:1]
CCn1c(CNC(=O)c2cccc(-c3nnnn3C)c2)nc2ccccc21 Cn1nnnc1[*:1] CCn1c(CNC(=O)c2cccc(c2)[*:1])nc2ccccc21
Fc1ccc(-c2n[nH]cc2CNc2ncccn2)cc1 c1cnc(nc1)[*:1] Fc1ccc(cc1)-c1n[nH]cc1CN[*:1]
[NH3+]Cc1ccc(OCCCn2cncn2)cc1 c1ncn(n1)[*:1] [NH3+]Cc1ccc(cc1)OCCC[*:1]
C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)[*:1]
COC(=O)c1cc(CNC(=O)c2cc3c(s2)CCC3)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)c1cc2CCCc2s1
CC(C)(C)c1ccc(OCC(=O)NN=C2CCCC2)cc1 CC(C)(C)[*:1] O=C(COc1ccc(cc1)[*:1])NN=C1CCCC1
O=C(Cn1cnc2cc(C(=O)NC3CC3)ccc2c1=O)Nc1ccc(F)cc1F O=C(NC1CC1)[*:1] O=C(Cn1cnc2cc(ccc2c1=O)[*:1])Nc1ccc(F)cc1F
O=C(Cn1cnc2cc(C(=O)NC3CC3)ccc2c1=O)Nc1ccc(F)cc1F C1CC1[*:1] O=C(Cn1cnc2cc(ccc2c1=O)C(=O)N[*:1])Nc1ccc(F)cc1F
O=C(Cn1cnc2cc(C(=O)NC3CC3)ccc2c1=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(Cn1cnc2cc(ccc2c1=O)C(=O)NC1CC1)N[*:1]
COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1F)[*:1]
COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)N(Cc1ccccc1F)S(=O)(=O)[*:1]
COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)N(S(=O)(=O)c1ccc(F)cc1)[*:1]
COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)N(C[*:1])S(=O)(=O)c1ccc(F)cc1
Cc1ccc(C(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)c(F)c1 O=C([O-])[*:1] Cc1ccc(C(=O)N[C@@H]2C=C[C@H](C2)[*:1])c(F)c1
CNC(=O)[C@@H]1CCN(C(=O)c2cscn2)C1 CNC(=O)[*:1] O=C(c1cscn1)N1CC[C@H](C1)[*:1]
CNC(=O)[C@@H]1CCN(C(=O)c2cscn2)C1 c1nc(cs1)[*:1] CNC(=O)[C@@H]1CCN(C1)C(=O)[*:1]
C[C@H](CC(=O)Oc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)OC(=O)C[*:1]
C[C@H](CC(=O)Oc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)Oc1ccc(cc1)S(=O)(=O)N(C)C)[*:1]
C[C@H](CC(=O)Oc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 CN(C)S(=O)(=O)[*:1] C[C@H](CC(=O)Oc1ccc(cc1)[*:1])c1ccccc1
CC[C@](C)(NC(=O)N(C)Cc1cccc(C)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)N(C)Cc1cccc(C)c1)[*:1]
N#CCN(CC#N)[C@H]1CCCC[C@@H]1C1CCCCC1 N#CC[*:1] N#CCN([C@H]1CCCC[C@@H]1C1CCCCC1)[*:1]
N#CCN(CC#N)[C@H]1CCCC[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] N#CCN(CC#N)[C@H]1CCCC[C@H]1[*:1]
O=C(c1ccccc1O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] O=C(c1ccccc1O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccccc1O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 Oc1ccccc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1)[*:1]
CCOC(=O)C1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3C(C)(C)C)c2C)CC1 CC(C)(C)[*:1] CCOC(=O)C1CCN(CC1)C(=O)CCc1c(C)nc2c(c(C)nn2[*:1])c1C
CCOC(=O)C1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3C(C)(C)C)c2C)CC1 CCOC(=O)[*:1] Cc1nc2c(c(C)nn2C(C)(C)C)c(C)c1CCC(=O)N1CCC(CC1)[*:1]
COCCOC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 COCC[*:1] O=C(O[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
COCCOC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 COC[*:1] O=C(OC[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
COCCOC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] COCCOC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCC[C@@H]1CCCC(C(=O)Nc2ccc(C)cc2)=C1[O-] CCC[*:1] Cc1ccc(cc1)NC(=O)C1CCC[C@H](C=1[O-])[*:1]
CN(C)[C@@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)c1cccs1 FC(F)(F)[*:1] CN(C)[C@@H](CNS(=O)(=O)c1ccccc1[*:1])c1cccs1
CN(C)[C@@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)c1cccs1 c1csc(c1)[*:1] CN(C)[C@@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)[*:1]
CN(C)[C@@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)c1cccs1 CN(C)[*:1] O=S(=O)(NC[C@@H](c1cccs1)[*:1])c1ccccc1C(F)(F)F
Cc1ncc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N(C)C)s1 c1ccc(cc1)[*:1] Cc1ncc(s1)[C@H](C)N[C@@H](C[*:1])C(=O)N(C)C
Cc1ncc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N(C)C)s1 c1ccc(cc1)C[*:1] Cc1ncc(s1)[C@H](C)N[C@@H](C(=O)N(C)C)[*:1]
Cc1ncc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N(C)C)s1 CN(C)C(=O)[*:1] Cc1ncc(s1)[C@H](C)N[C@@H](Cc1ccccc1)[*:1]
Cc1ncc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N(C)C)s1 Cc1ncc(s1)[*:1] C[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)[*:1]
O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](C(=O)N1CCOCC1)[*:1])[C@@H](O)c1ccccc1
O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)[C@@H](O)c1ccccc1 O=C(N1CCOCC1)[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])[C@@H](O)c1ccccc1
O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)[C@@H](O)[*:1]
O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] O=C([C@H](CNC(=O)[*:1])c1ccccc1)N1CCOCC1
COc1cccc(/C(C)=C/C(=O)N(C)CC(=O)NC(C)C)c1 CC(C)NC(=O)C[*:1] COc1cccc(c1)/C(C)=C/C(=O)N(C)[*:1]
COc1cccc(/C(C)=C/C(=O)N(C)CC(=O)NC(C)C)c1 CC(C)[*:1] COc1cccc(c1)/C(C)=C/C(=O)N(C)CC(=O)N[*:1]
COc1cccc(/C(C)=C/C(=O)N(C)CC(=O)NC(C)C)c1 CC(C)NC(=O)[*:1] COc1cccc(c1)/C(C)=C/C(=O)N(C)C[*:1]
COc1ccc([C@@H](CC(=O)Nc2cccc(C)c2Cl)NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@@H](CC(=O)Nc1cccc(C)c1Cl)[*:1]
COc1ccc([C@@H](CC(=O)Nc2cccc(C)c2Cl)NC(C)=O)cc1 Cc1cccc(c1Cl)[*:1] COc1ccc(cc1)[C@@H](CC(=O)N[*:1])NC(C)=O
COc1ccc([C@@H](CC(=O)Nc2cccc(C)c2Cl)NC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Nc1cccc(C)c1Cl)[*:1]
O=C(NCc1cccs1)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 c1ccc2c(c1)ccn2[*:1] O=C(NCc1cccs1)C1CCN(CC1)C(=O)c1ccc(s1)[*:1]
O=C(NCc1cccs1)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 c1csc(c1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(s1)-n1ccc2ccccc21
O=C(NCc1cccs1)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 c1csc(c1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1ccc(s1)-n1ccc2ccccc21
O=C(NCc1cccs1)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 O=C(NCc1cccs1)[*:1] O=C(c1ccc(s1)-n1ccc2ccccc21)N1CCC(CC1)[*:1]
O=C(NCC(=O)N1CCCCC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(NCC(=O)N1CCCCC1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCC(=O)N1CCCCC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCC(=O)N1CCCCC1)[C@@H]1CC(=O)N(C1)C[*:1]
N#Cc1cccc(/C=C/C(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] N#Cc1cccc(/C=C/C(=O)[*:1])c1
Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1C Cc1cc(c(C)n1C)[*:1] Cn1c(nnc1-c1ccccc1)SCC(=O)[*:1]
Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1C c1ccc(cc1)[*:1] Cc1cc(C(=O)CSc2nnc(n2C)[*:1])c(C)n1C
COC[C@](C)(NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)[C@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
COC[C@](C)(NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 COC[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)N[C@@](C)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 CC(C)(C)[*:1] COC[C@](C)(NC(=O)[C@H]1CCN(C1)C(=O)O[*:1])c1ccccc1
Cc1cc(C(=O)CCC(=O)NCc2ccccc2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CCC(=O)[*:1])NCc1ccccc1
Cc1cc(C(=O)CCC(=O)NCc2ccccc2)c(C)s1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)CCC(=O)N[*:1])c(C)s1
Cc1cc(C(=O)CCC(=O)NCc2ccccc2)c(C)s1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CCC(=O)NC[*:1])c(C)s1
Cn1c(CS(=O)(=O)CCc2cccs2)nnc1C1CC1 c1csc(c1)[*:1] Cn1c(CS(=O)(=O)CC[*:1])nnc1C1CC1
Cn1c(CS(=O)(=O)CCc2cccs2)nnc1C1CC1 c1csc(c1)C[*:1] Cn1c(CS(=O)(=O)C[*:1])nnc1C1CC1
Cn1c(CS(=O)(=O)CCc2cccs2)nnc1C1CC1 C1CC1[*:1] Cn1c(CS(=O)(=O)CCc2cccs2)nnc1[*:1]
CCc1cccc(NC(=O)Cn2cnc3c(-c4cccc(C)c4)nsc3c2=O)c1 CCc1cccc(c1)[*:1] Cc1cccc(c1)-c1nsc2c(=O)n(cnc12)CC(=O)N[*:1]
CCc1cccc(NC(=O)Cn2cnc3c(-c4cccc(C)c4)nsc3c2=O)c1 Cc1cccc(c1)[*:1] CCc1cccc(c1)NC(=O)Cn1cnc2c(nsc2c1=O)[*:1]
CN(C)C(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 O=[N+]([O-])[*:1] CN(C)C(=O)CSc1nc2cc(ccc2o1)[*:1]
CN(C)C(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 CN(C)C(=O)[*:1] O=[N+]([O-])c1ccc2oc(nc2c1)SC[*:1]
CN(C)C(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 CN(C)C(=O)C[*:1] O=[N+]([O-])c1ccc2oc(nc2c1)S[*:1]
CC(=O)Nc1cc(N[C@@H](C)C(=O)Nc2cccc(Br)c2)ccc1F Brc1cccc(c1)[*:1] CC(=O)Nc1cc(ccc1F)N[C@@H](C)C(=O)N[*:1]
CC(=O)Nc1cc(N[C@@H](C)C(=O)Nc2cccc(Br)c2)ccc1F CC(=O)N[*:1] C[C@H](Nc1ccc(F)c(c1)[*:1])C(=O)Nc1cccc(Br)c1
C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21 C1CN(CCO1)[*:1] C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(C[*:1])c2ccccc21
C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21 c1ccc(cc1)[*:1] C[C@@H](C(=O)[*:1])[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21
C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21 O=C(c1ccccc1)[*:1] C[C@@H]([C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)[*:1]
C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21 C1CN(CCO1)C[*:1] C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(c2ccccc21)[*:1]
CCCc1nn(C)c2c1nc(CCl)n2Cc1cccs1 c1csc(c1)C[*:1] CCCc1nn(C)c2c1nc(CCl)n2[*:1]
CCCc1nn(C)c2c1nc(CCl)n2Cc1cccs1 CCC[*:1] Cn1nc(c2nc(CCl)n(Cc3cccs3)c21)[*:1]
CCCc1nn(C)c2c1nc(CCl)n2Cc1cccs1 c1csc(c1)[*:1] CCCc1nn(C)c2c1nc(CCl)n2C[*:1]
c1cc(CCCNc2ccc(-c3nc(C4CC4)no3)c[nH+]2)ccn1 c1cc(ccn1)C[*:1] c1cc(NCC[*:1])[nH+]cc1-c1nc(no1)C1CC1
c1cc(CCCNc2ccc(-c3nc(C4CC4)no3)c[nH+]2)ccn1 c1cc(ccn1)[*:1] c1cc(NCCC[*:1])[nH+]cc1-c1nc(no1)C1CC1
c1cc(CCCNc2ccc(-c3nc(C4CC4)no3)c[nH+]2)ccn1 C1CC1c1noc(n1)[*:1] c1cc(ccn1)CCCNc1ccc(c[nH+]1)[*:1]
c1cc(CCCNc2ccc(-c3nc(C4CC4)no3)c[nH+]2)ccn1 C1CC1[*:1] c1cc(ccn1)CCCNc1ccc(c[nH+]1)-c1nc(no1)[*:1]
c1cc(CCCNc2ccc(-c3nc(C4CC4)no3)c[nH+]2)ccn1 c1cc(ccn1)CC[*:1] c1cc(NC[*:1])[nH+]cc1-c1nc(no1)C1CC1
O=C(Nc1cc(F)c(F)cc1F)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] O=C(Nc1cc(F)c(F)cc1F)c1cccc(c1F)[*:1]
CCOCCCNC(=O)c1ccc(N)c(C)c1 CCOC[*:1] Cc1cc(ccc1N)C(=O)NCC[*:1]
CCOCCCNC(=O)c1ccc(N)c(C)c1 CCOCC[*:1] Cc1cc(ccc1N)C(=O)NC[*:1]
CCOCCCNC(=O)c1ccc(N)c(C)c1 CCO[*:1] Cc1cc(ccc1N)C(=O)NCCC[*:1]
Cc1ccccc1OC[C@H]1CCCN(C(=O)c2cc3n(n2)CC[NH2+]C3)C1 Cc1ccccc1[*:1] O=C(c1cc2C[NH2+]CCn2n1)N1CCC[C@H](CO[*:1])C1
Cc1ccccc1OC[C@H]1CCCN(C(=O)c2cc3n(n2)CC[NH2+]C3)C1 Cc1ccccc1O[*:1] O=C(c1cc2C[NH2+]CCn2n1)N1CCC[C@@H](C1)C[*:1]
Cc1nc(C)c(CNCc2cccc(OC(C)C)c2)s1 CC(C)[*:1] Cc1nc(C)c(CNCc2cccc(c2)O[*:1])s1
Cc1nc(C)c(CNCc2cccc(OC(C)C)c2)s1 CC(C)O[*:1] Cc1nc(C)c(CNCc2cccc(c2)[*:1])s1
CCCC[NH+](C)CCn1cc(N)ccc1=O CCC[*:1] C[NH+](CCn1cc(N)ccc1=O)C[*:1]
CCCC[NH+](C)CCn1cc(N)ccc1=O CCCC[*:1] C[NH+](CCn1cc(N)ccc1=O)[*:1]
Cn1cc(N2CCC[C@H](Nc3cccc4c3CCCC4)C2=O)cn1 Cn1cc(cn1)[*:1] O=C1[C@H](CCCN1[*:1])Nc1cccc2CCCCc21
O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1cccc(Cl)c1 c1csc(c1)[*:1] O=C(NCC[C@H]1CCCCN1S(=O)(=O)[*:1])Nc1cccc(Cl)c1
O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)N[*:1]
CCOCc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCOCc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
CCOCc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CCO[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)NC(=O)NCc1ccccc1C[*:1]
CCOCc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CCOC[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)NC(=O)NCc1ccccc1[*:1]
COC(=O)c1cc(C[NH+](C)CC(=O)Nc2ccc(C)cn2)c[nH]1 Cc1ccc(nc1)[*:1] COC(=O)c1cc(c[nH]1)C[NH+](C)CC(=O)N[*:1]
COC(=O)c1cc(C[NH+](C)CC(=O)Nc2ccc(C)cn2)c[nH]1 COC(=O)[*:1] Cc1ccc(nc1)NC(=O)C[NH+](C)Cc1c[nH]c(c1)[*:1]
CC(C)(C)c1n[nH]c(C(=O)Nc2ccc3c(c2)CCN3)n1 CC(C)(C)[*:1] O=C(Nc1ccc2NCCc2c1)c1nc(n[nH]1)[*:1]
C[C@H]1CN(Cc2csc(CS(C)(=O)=O)n2)c2ccccc21 CS(=O)(=O)[*:1] C[C@H]1CN(Cc2csc(C[*:1])n2)c2ccccc21
C[C@H]1CN(Cc2csc(CS(C)(=O)=O)n2)c2ccccc21 CS(=O)(=O)C[*:1] C[C@H]1CN(Cc2csc(n2)[*:1])c2ccccc21
Cc1nc(C)c(C[S@@](=O)[C@@H](C)C(=O)Nc2cccc(Cl)c2)s1 Cc1nc(C)c(s1)[*:1] C[C@@H](C(=O)Nc1cccc(Cl)c1)[S@](=O)C[*:1]
Cc1nc(C)c(C[S@@](=O)[C@@H](C)C(=O)Nc2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] Cc1nc(C)c(C[S@@](=O)[C@@H](C)C(=O)N[*:1])s1
CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](C)c1ccc(C#N)cc1 N#CC[*:1] CCN(C(=O)c1cccc(c1)S[*:1])[C@@H](C)c1ccc(C#N)cc1
CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](C)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCN(C(=O)c1cccc(c1)SCC#N)[C@@H](C)[*:1]
CCN(C(=O)c1cccc(SCC#N)c1)[C@@H](C)c1ccc(C#N)cc1 N#CCS[*:1] CCN(C(=O)c1cccc(c1)[*:1])[C@@H](C)c1ccc(C#N)cc1
CNS(=O)(=O)CC(=O)NCc1cc(F)ccc1Br CNS(=O)(=O)C[*:1] O=C(NCc1cc(F)ccc1Br)[*:1]
CNS(=O)(=O)CC(=O)NCc1cc(F)ccc1Br CNS(=O)(=O)[*:1] O=C(C[*:1])NCc1cc(F)ccc1Br
C[C@@H](CC(=O)c1ccccc1)NC(=O)C[C@@H]1C=CCC1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)[*:1])NC(=O)C[C@@H]1C=CCC1
CC(=O)N(CCC(=O)N(c1cc(C)ccc1C)C(C)C)Cc1ccccc1 c1ccc(cc1)C[*:1] CC(=O)N(CCC(=O)N(c1cc(C)ccc1C)C(C)C)[*:1]
CC(=O)N(CCC(=O)N(c1cc(C)ccc1C)C(C)C)Cc1ccccc1 CC(C)[*:1] CC(=O)N(CCC(=O)N(c1cc(C)ccc1C)[*:1])Cc1ccccc1
CC(=O)N(CCC(=O)N(c1cc(C)ccc1C)C(C)C)Cc1ccccc1 c1ccc(cc1)[*:1] CC(=O)N(CCC(=O)N(c1cc(C)ccc1C)C(C)C)C[*:1]
CC(=O)N(CCC(=O)N(c1cc(C)ccc1C)C(C)C)Cc1ccccc1 Cc1ccc(C)c(c1)[*:1] CC(=O)N(CCC(=O)N(C(C)C)[*:1])Cc1ccccc1
Cn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 Fc1ccc(cc1)[*:1] Cn1cc(C(=O)N2CCN(CC2)[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
Cn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] Cn1cc(C(=O)N2CCN(CC2)c2ccc(F)cc2)c2nn(c(=O)c-2c1)[*:1]
Cc1nn(CN2CCN(c3ccccc3F)CC2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CN2CCN(CC2)c2ccccc2F)c(C)c1[*:1]
Cc1nn(CN2CCN(c3ccccc3F)CC2)c(C)c1[N+](=O)[O-] Fc1ccccc1[*:1] Cc1nn(CN2CCN(CC2)[*:1])c(C)c1[N+](=O)[O-]
Cc1ccc([C@@H](C)N[C@@H](C)c2scnc2C)cc1F Cc1ncsc1[*:1] Cc1ccc(cc1F)[C@@H](C)N[C@@H](C)[*:1]
C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1[C@H](C)[C@@H]1CCCO1 C[C@H]([C@@H]1CCCO1)[*:1] C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1[*:1]
C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1[C@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1[C@H](C)[*:1]
C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1[C@H](C)[C@@H]1CCCO1 C[C@H](Cl)[*:1] C[C@H]([C@@H]1CCCO1)n1c(nc2cc(Cl)c(Cl)cc21)[*:1]
C=CCN1C(=O)c2ccc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)cc2C1=O C=CC[*:1] O=C(Nc1cc2OCCCOc2cc1Cl)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CS[C@H]1CC[C@@H](NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)C1 CC(C)(C)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1cccc(c1)NC(=O)[*:1]
CS[C@H]1CC[C@@H](NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)C1 CC(C)(C)C(=O)N[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1cccc(c1)[*:1]
COCCN(CCOC)C(=O)[C@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C COC[*:1] COCCN(C[*:1])C(=O)[C@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C
COCCN(CCOC)C(=O)[C@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C COCC[*:1] COCCN(C(=O)[C@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C)[*:1]
Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c(=O)[nH]1 FC(F)(F)[*:1] Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(cc2)[*:1])c(=O)[nH]1
O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 FC(F)(F)c1ccccc1[*:1] O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(CC1)S(=O)(=O)[*:1]
CN1C[C@@H](C(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)CC1=O CN1C[C@@H](CC1=O)[*:1] C[NH+](C)CCn1nc(c2cccnc21)[C@H]1CCN(C1)C(=O)[*:1]
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)C(=O)N2 Cc1c(Cl)cccc1[*:1] C[C@@H]1C(=O)Nc2ccc(cc2NC1=O)S(=O)(=O)N[*:1]
Cn1cccc1[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 Cn1cccc1[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)N1CCC[C@@H]1[*:1]
C[NH2+][C@@H](C)c1c(F)cccc1OCCOC(C)C CC(C)O[*:1] C[NH2+][C@@H](C)c1c(F)cccc1OCC[*:1]
C[NH2+][C@@H](C)c1c(F)cccc1OCCOC(C)C CC(C)OCC[*:1] C[NH2+][C@@H](C)c1c(F)cccc1O[*:1]
C[NH2+][C@@H](C)c1c(F)cccc1OCCOC(C)C CC(C)OC[*:1] C[NH2+][C@@H](C)c1c(F)cccc1OC[*:1]
C[NH2+][C@@H](C)c1c(F)cccc1OCCOC(C)C CC(C)[*:1] C[NH2+][C@@H](C)c1c(F)cccc1OCCO[*:1]
Cc1cc(NC(=O)CSCC(F)(F)F)c[nH]c1=O FC(F)(F)[*:1] Cc1cc(c[nH]c1=O)NC(=O)CSC[*:1]
Cc1cc(NC(=O)CSCC(F)(F)F)c[nH]c1=O FC(F)(F)C[*:1] Cc1cc(c[nH]c1=O)NC(=O)CS[*:1]
Cc1cc(NC(=O)CSCC(F)(F)F)c[nH]c1=O FC(F)(F)CS[*:1] Cc1cc(c[nH]c1=O)NC(=O)C[*:1]
Cc1ccc(OCc2ccc(C(N)=S)cc2)cc1C NC(=S)[*:1] Cc1ccc(cc1C)OCc1ccc(cc1)[*:1]
CC(C)Cc1nnc(NC(=O)Cn2c(=O)[nH]c3ccccc32)s1 CC(C)[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)Cn2c(=O)[nH]c3ccccc32)s1 CC(C)C[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)Nc1nnc(s1)[*:1]
C#CCN(C(=O)N[C@@H](C)C[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 CC[C@H](C)C[*:1] C#CCN(C(=O)N[C@@H](C)[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(C(=O)N[C@@H](C)C[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(C(=O)N[C@@H](C)C[C@@H](C)CC)[*:1]
C#CCN(C(=O)N[C@@H](C)C[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 CC[C@H](C)C[C@H](C)[*:1] C#CCN(C(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(C(=O)N[C@@H](C)C[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 CC[C@H](C)[*:1] C#CCN(C(=O)N[C@@H](C)C[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(C(=O)N[C@@H](C)C[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] CC[C@H](C)C[C@H](C)NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CN(Cc1cnn(C)c1)C(=O)Nc1ccc(I)cc1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)Nc1ccc(I)cc1
CCCCN1C[C@]2(CCCN(C(=O)c3cnn4cccnc34)C2)CCC1=O CCC[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)c2cnn3cccnc23)CN1C[*:1]
CCCCN1C[C@]2(CCCN(C(=O)c3cnn4cccnc34)C2)CCC1=O c1cnc2c(cnn2c1)[*:1] CCCCN1C[C@]2(CCCN(C2)C(=O)[*:1])CCC1=O
CCCCN1C[C@]2(CCCN(C(=O)c3cnn4cccnc34)C2)CCC1=O CCCC[*:1] O=C(c1cnn2cccnc12)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
COC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] COC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(o1)[*:1]
COC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)[O-])o1 COC(=O)[*:1] O=C([O-])c1ccc(CNC(=O)N2CCC[C@H]2[*:1])o1
C[C@H](Cc1cccs1)NC(=O)NC[C@@H]1COc2ccccc2O1 c1csc(c1)C[*:1] C[C@H](NC(=O)NC[C@@H]1COc2ccccc2O1)[*:1]
C[C@H](Cc1cccs1)NC(=O)NC[C@@H]1COc2ccccc2O1 c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)NC[C@@H]1COc2ccccc2O1
CCc1noc(CCCC(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 CCc1noc(n1)[*:1] O=C(CCC[*:1])NC[C@@H]1CCS(=O)(=O)C1
CCc1noc(CCCC(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 O=S1(=O)CC[C@H](C1)[*:1] CCc1noc(CCCC(=O)NC[*:1])n1
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])c(c1C)[*:1]
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc(C)c1C O=C([O-])[*:1] COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2[*:1])sc(C)c1C
CC(C)CCO[C@@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1 CC(C)CC[*:1] N#C/C=C(\c1ccc(cc1)[N+](=O)[O-])N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1 CC(C)CCO[*:1] N#C/C=C(\c1ccc(cc1)[N+](=O)[O-])N1CC[C@H](C1)[*:1]
CC(C)CCO[C@@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1 CC(C)[*:1] N#C/C=C(\c1ccc(cc1)[N+](=O)[O-])N1CC[C@H](C1)OCC[*:1]
CC(C)CCO[C@@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1 O=[N+]([O-])[*:1] CC(C)CCO[C@@H]1CCN(C1)/C(=C/C#N)c1ccc(cc1)[*:1]
CC(C)CCO[C@@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1 CC(C)C[*:1] N#C/C=C(\c1ccc(cc1)[N+](=O)[O-])N1CC[C@H](C1)OC[*:1]
C[C@H]1CN(C2CCN(C(=O)NCCc3c(F)cccc3F)CC2)CCO1 Fc1cccc(F)c1[*:1] C[C@H]1CN(CCO1)C1CCN(CC1)C(=O)NCC[*:1]
COC(=O)c1cc(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CN(C)C(=O)Nc1cccc(c1C)[N+](=O)[O-]
COC(=O)c1cc(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)oc1C O=[N+]([O-])[*:1] COC(=O)c1cc(CN(C)C(=O)Nc2cccc(c2C)[*:1])oc1C
Cc1ccc(Cn2c(CO)cnc2SCC(=O)N2CCCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1ncc(CO)n1C[*:1])N1CCCCCC1
Cc1ccc(Cn2c(CO)cnc2SCC(=O)N2CCCCCC2)cc1 Cc1ccc(cc1)C[*:1] O=C(CSc1ncc(CO)n1[*:1])N1CCCCCC1
COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1Cl CC(C)[*:1] COc1ccc(cc1Cl)C(=O)Nc1cc(Cl)ccc1N1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1Cl COc1ccc(cc1Cl)[*:1] CC(C)C(=O)N1CCN(CC1)c1ccc(Cl)cc1NC(=O)[*:1]
Cc1ccccc1-n1c(S[C@@H](C)C(N)=O)nnc1-c1cccnc1 Cc1ccccc1[*:1] C[C@H](Sc1nnc(-c2cccnc2)n1[*:1])C(N)=O
Cc1ccccc1-n1c(S[C@@H](C)C(N)=O)nnc1-c1cccnc1 c1cncc(c1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])S[C@@H](C)C(N)=O
Cc1ccccc1-n1c(S[C@@H](C)C(N)=O)nnc1-c1cccnc1 C[C@H](S[*:1])C(N)=O Cc1ccccc1-n1c(nnc1[*:1])-c1cccnc1
Cc1ccccc1-n1c(S[C@@H](C)C(N)=O)nnc1-c1cccnc1 NC(=O)[*:1] Cc1ccccc1-n1c(nnc1-c1cccnc1)S[C@@H](C)[*:1]
Cc1ccc([C@@H](CNC(=O)c2n[nH]c(C3CC3)c2Cl)[NH+](C)C)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)c1n[nH]c(c1Cl)[*:1])[NH+](C)C
Cc1ccc([C@@H](CNC(=O)c2n[nH]c(C3CC3)c2Cl)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1n[nH]c(c1Cl)C1CC1)[*:1]
Cc1ccc(F)c(C(=O)Nc2cc(-c3ccncc3)nn2C)c1 c1cc(ccn1)[*:1] Cc1ccc(F)c(c1)C(=O)Nc1cc(nn1C)[*:1]
C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NCCC)C2 C=CC[*:1] CCCNC(=O)[C@@H]1Cc2cn(c3cccc(c23)[C@H](CC(C)C)N1)[*:1]
C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NCCC)C2 CCC[*:1] C=CCn1cc2C[C@H](N[C@@H](CC(C)C)c3cccc1c23)C(=O)N[*:1]
C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NCCC)C2 CC(C)[*:1] C=CCn1cc2C[C@H](N[C@@H](C[*:1])c3cccc1c23)C(=O)NCCC
C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NCCC)C2 CCCNC(=O)[*:1] C=CCn1cc2C[C@@H](N[C@@H](CC(C)C)c3cccc1c23)[*:1]
C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NCCC)C2 CC(C)C[*:1] C=CCn1cc2C[C@H](N[C@@H](c3cccc1c23)[*:1])C(=O)NCCC
Cc1cccc(O[C@H](C)CNC(=O)c2c(Cl)cccc2Cl)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)c1c(Cl)cccc1Cl)O[*:1]
COc1ccccc1N1C(=O)N(c2ccccc2C)[C@@H]2CS(=O)(=O)C[C@H]21 Cc1ccccc1[*:1] COc1ccccc1N1C(=O)N([C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
COc1ccccc1N1C(=O)N(c2ccccc2C)[C@@H]2CS(=O)(=O)C[C@H]21 COc1ccccc1[*:1] Cc1ccccc1N1C(=O)N([C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
C/C(=C/C(=O)OCc1nc(N)c2ccccc2n1)C1CC1 CC(=C[*:1])C1CC1 Nc1nc(COC(=O)[*:1])nc2ccccc12
C/C(=C/C(=O)OCc1nc(N)c2ccccc2n1)C1CC1 C1CC1[*:1] CC(=CC(=O)OCc1nc(N)c2ccccc2n1)[*:1]
CC1([C@](C)(CO)Nc2ccc(Cl)c(Br)c2)CC1 CC1(CC1)[*:1] C[C@](CO)(Nc1ccc(Cl)c(Br)c1)[*:1]
Cc1ccc(C(=O)N2CCN(c3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1F Cc1ccc(cc1F)[*:1] O=C(N1CCN(CC1)c1cc(=O)n2nc(sc2n1)-c1ccccc1)[*:1]
Cc1ccc(C(=O)N2CCN(c3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)C(=O)N1CCN(CC1)c1cc(=O)n2nc(sc2n1)[*:1]
CSc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3sc4ccccc4c32)c1 CSc1cccc(c1)[*:1] O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2sc3ccccc3c21)N[*:1]
CSc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3sc4ccccc4c32)c1 CSc1cccc(c1)NC(=O)[*:1] O=c1c2sc3ccccc3c2n(C[*:1])c(=O)n1Cc1ccccc1
CSc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3sc4ccccc4c32)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2sc3ccccc3c21
CSc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3sc4ccccc4c32)c1 c1ccc(cc1)C[*:1] CSc1cccc(c1)NC(=O)Cn1c(=O)n(c(=O)c2sc3ccccc3c21)[*:1]
COc1ccc(CNC(=O)CCc2nc(N3C[C@H](C)C[C@@H](C)C3)c3c(C)noc3n2)cc1 COc1ccc(cc1)C[*:1] Cc1noc2nc(CCC(=O)N[*:1])nc(c12)N1C[C@H](C)C[C@@H](C)C1
COc1ccc(CNC(=O)CCc2nc(N3C[C@H](C)C[C@@H](C)C3)c3c(C)noc3n2)cc1 COc1ccc(cc1)[*:1] Cc1noc2nc(CCC(=O)NC[*:1])nc(c12)N1C[C@H](C)C[C@@H](C)C1
Cc1cc(C[NH+]2CCN([C@@H](C)C(=O)N[C@H](C)c3ccccc3C)CC2)no1 Cc1ccccc1[*:1] Cc1cc(C[NH+]2CCN(CC2)[C@@H](C)C(=O)N[C@H](C)[*:1])no1
Cc1cc(C[NH+]2CCN([C@@H](C)C(=O)N[C@H](C)c3ccccc3C)CC2)no1 Cc1cc(no1)[*:1] Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CC[NH+](CC1)C[*:1]
Cc1cc(C[NH+]2CCN([C@@H](C)C(=O)N[C@H](C)c3ccccc3C)CC2)no1 Cc1ccccc1[C@@H](C)[*:1] Cc1cc(C[NH+]2CCN(CC2)[C@@H](C)C(=O)N[*:1])no1
Cc1ccc([C@@H](CNC(=O)N[C@@H](c2ccccn2)C(C)C)[NH+]2CCCC2)o1 c1ccc(nc1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)N[C@@H](C(C)C)[*:1])[NH+]1CCCC1
Cc1ccc([C@@H](CNC(=O)N[C@@H](c2ccccn2)C(C)C)[NH+]2CCCC2)o1 CC(C)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)N[C@@H](c1ccccn1)[*:1])[NH+]1CCCC1
Cc1ccc([C@@H](CNC(=O)N[C@@H](c2ccccn2)C(C)C)[NH+]2CCCC2)o1 Cc1ccc(o1)[*:1] CC(C)[C@@H](NC(=O)NC[C@@H]([NH+]1CCCC1)[*:1])c1ccccn1
CC[C@H](C)NC(=O)[C@H]1CC[C@H](c2ccccc2)N(C(C)=O)C1 CC[C@H](C)NC(=O)[*:1] CC(=O)N1C[C@H](CC[C@@H]1c1ccccc1)[*:1]
CC[C@H](C)NC(=O)[C@H]1CC[C@H](c2ccccc2)N(C(C)=O)C1 CC[C@H](C)[*:1] CC(=O)N1C[C@H](CC[C@@H]1c1ccccc1)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H]1CC[C@H](c2ccccc2)N(C(C)=O)C1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@H]1CC[C@H](N(C1)C(C)=O)[*:1]
Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1O FC(F)(F)[*:1] Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](C2)[*:1])c1O
COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1Cn1cccn1 c1cnn(c1)C[*:1] COc1ccc(cc1[*:1])C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1
COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1Cn1cccn1 c1cnn(c1)[*:1] COc1ccc(cc1C[*:1])C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1
COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1Cn1cccn1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(cc1Cn1cccn1)C(=O)N1CCC[C@@H]1[*:1]
COc1ccc(C)cc1NC(=O)C(=O)NC[C@](C)(O)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] COc1ccc(C)cc1NC(=O)C(=O)NC[C@](C)(O)[*:1]
C[C@@H](C#N)CNC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] C[C@@H](C#N)CNC(=O)c1cnc(cn1)[*:1]
C[C@@H](C#N)CNC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] C[C@@H](C#N)CNC(=O)c1cnc(cn1)O[*:1]
CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1O C[C@H](c1ccccc1)[*:1] CCn1c(nnc1-c1ccccc1O)SCC(=O)N[*:1]
CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1O c1ccc(cc1)[*:1] CCn1c(nnc1-c1ccccc1O)SCC(=O)N[C@H](C)[*:1]
CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1O Oc1ccccc1[*:1] CCn1c(nnc1[*:1])SCC(=O)N[C@H](C)c1ccccc1
CSc1cccc2sc(N3CCN(C(=O)CCSc4ccccc4)CC3)nc12 c1ccc(cc1)S[*:1] CSc1cccc2sc(nc12)N1CCN(CC1)C(=O)CC[*:1]
CSc1cccc2sc(N3CCN(C(=O)CCSc4ccccc4)CC3)nc12 c1ccc(cc1)SCC[*:1] CSc1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
CSc1cccc2sc(N3CCN(C(=O)CCSc4ccccc4)CC3)nc12 c1ccc(cc1)[*:1] CSc1cccc2sc(nc12)N1CCN(CC1)C(=O)CCS[*:1]
CSc1cccc2sc(N3CCN(C(=O)CCSc4ccccc4)CC3)nc12 c1ccc(cc1)SC[*:1] CSc1cccc2sc(nc12)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(CO/N=C(/N)[C@@H]2CCOC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CO/N=C(/N)[C@@H]1CCOC1
COc1ccc([C@@H]2CC(=O)C(/C=N/C3Cc4ccccc4C3)=C([O-])C2)cc1OC c1ccc2CC(Cc2c1)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)C(C=N[*:1])=C([O-])C1
Cc1cc(C)cc(CS[C@H](c2ccco2)[C@H](C)[NH3+])c1 c1coc(c1)[*:1] Cc1cc(C)cc(c1)CS[C@H]([C@H](C)[NH3+])[*:1]
CC[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccc(OC)c1 COc1cccc(c1)[*:1] CC[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)[*:1]
O=C(NCCCC1CCCC1)c1ccc([N+](=O)[O-])c(O)c1 C1CCC(C1)[*:1] O=C(NCCC[*:1])c1ccc(c(O)c1)[N+](=O)[O-]
O=C(NCCCC1CCCC1)c1ccc([N+](=O)[O-])c(O)c1 O=[N+]([O-])[*:1] O=C(NCCCC1CCCC1)c1ccc(c(O)c1)[*:1]
O=C(NCCCC1CCCC1)c1ccc([N+](=O)[O-])c(O)c1 C1CCC(C1)C[*:1] O=C(NCC[*:1])c1ccc(c(O)c1)[N+](=O)[O-]
O=C(NCCCC1CCCC1)c1ccc([N+](=O)[O-])c(O)c1 C1CCC(C1)CC[*:1] O=C(NC[*:1])c1ccc(c(O)c1)[N+](=O)[O-]
CSc1nc(NCC[NH3+])c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 CC(C)[*:1] CSc1nc(NCC[NH3+])c2sc3nc(C[*:1])c4CCCc4c3c2n1
CSc1nc(NCC[NH3+])c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 [NH3+]CCN[*:1] CSc1nc(c2sc3nc(CC(C)C)c4CCCc4c3c2n1)[*:1]
CSc1nc(NCC[NH3+])c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 CC(C)C[*:1] CSc1nc(NCC[NH3+])c2sc3nc(c4CCCc4c3c2n1)[*:1]
CCOc1ccc([C@@H]([NH3+])c2cc(F)cc(F)c2)c(Br)c1 CCO[*:1] [NH3+][C@@H](c1cc(F)cc(F)c1)c1ccc(cc1Br)[*:1]
Cc1nc(C2(NC(=O)c3cc4ccccc4c(=O)[nH]3)CCCC2)no1 Cc1nc(no1)[*:1] O=C(NC1(CCCC1)[*:1])c1cc2ccccc2c(=O)[nH]1
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNC(=O)Cc1ccncc1 N#Cc1ccccc1[*:1] CC(C)[C@@H](O[*:1])C(=O)NNC(=O)Cc1ccncc1
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNC(=O)Cc1ccncc1 CC(C)[*:1] N#Cc1ccccc1O[C@@H](C(=O)NNC(=O)Cc1ccncc1)[*:1]
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNC(=O)Cc1ccncc1 c1cc(ccn1)C[*:1] CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNC(=O)[*:1]
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNC(=O)Cc1ccncc1 c1cc(ccn1)[*:1] CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNC(=O)C[*:1]
O=C1N(Cl)C(=O)C(c2ccccc2)(c2ccccc2)N1Cl c1ccc(cc1)[*:1] O=C1N(Cl)C(=O)C(c2ccccc2)(N1Cl)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N(C)Cc3c(C)noc3C)cc12 Cc1noc(C)c1C[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)N(C)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N(C)Cc3c(C)noc3C)cc12 COC(=O)[*:1] Cc1noc(C)c1CN(C)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N(C)Cc3c(C)noc3C)cc12 Cc1noc(C)c1[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)N(C)C[*:1]
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)Cn2cccc21 Clc1ccc(cc1)[*:1] O=C1/C(=C/c2ccc(o2)[*:1])Cn2cccc21
CCOC(=O)c1c(NC(=O)c2c(C)noc2-c2ccccc2)sc(C)c1C CCOC(=O)[*:1] Cc1noc(-c2ccccc2)c1C(=O)Nc1sc(C)c(C)c1[*:1]
CCOC(=O)c1c(NC(=O)c2c(C)noc2-c2ccccc2)sc(C)c1C c1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)c2c(C)noc2[*:1])sc(C)c1C
CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)N1CC[C@@H]2CCCC[C@H]21 CS(=O)(=O)C[*:1] O=C(NCc1cc(F)ccc1[*:1])N1CC[C@@H]2CCCC[C@H]21
CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)N1CC[C@@H]2CCCC[C@H]21 CS(=O)(=O)[*:1] O=C(NCc1cc(F)ccc1C[*:1])N1CC[C@@H]2CCCC[C@H]21
CN(c1ccc(NC(=O)Nc2cccnc2Cl)cc1)C1CC[NH+](C)CC1 Clc1ncccc1[*:1] CN(c1ccc(cc1)NC(=O)N[*:1])C1CC[NH+](C)CC1
O=C(CCSc1nc(Cc2ccccc2)n[nH]1)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(CCSc1nc(C[*:1])n[nH]1)N1CCCCCC1
O=C(CCSc1nc(Cc2ccccc2)n[nH]1)N1CCCCCC1 c1ccc(cc1)C[*:1] O=C(CCSc1nc(n[nH]1)[*:1])N1CCCCCC1
C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 O=C([O-])[*:1] C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](CC[*:1])C1
C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 O=C([O-])CC[*:1] C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C1)[*:1]
C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 O=C([O-])C[*:1] C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C1)C[*:1]
O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)[*:1]
CCCOc1nc2ccccc2cc1/C=C/C(=O)N(C)Cc1ncnn1C CCCO[*:1] CN(Cc1ncnn1C)C(=O)/C=C/c1cc2ccccc2nc1[*:1]
CCCOc1nc2ccccc2cc1/C=C/C(=O)N(C)Cc1ncnn1C Cn1ncnc1C[*:1] CCCOc1nc2ccccc2cc1/C=C/C(=O)N(C)[*:1]
CCCOc1nc2ccccc2cc1/C=C/C(=O)N(C)Cc1ncnn1C Cn1ncnc1[*:1] CCCOc1nc2ccccc2cc1/C=C/C(=O)N(C)C[*:1]
CCCOc1nc2ccccc2cc1/C=C/C(=O)N(C)Cc1ncnn1C CCC[*:1] CN(Cc1ncnn1C)C(=O)/C=C/c1cc2ccccc2nc1O[*:1]
CN(Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(cc1)C(=O)N1CCC(CC1)C(N)=O)S(=O)(=O)[*:1]
CN(Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1ccccc1 NC(=O)[*:1] CN(Cc1ccc(cc1)C(=O)N1CCC(CC1)[*:1])S(=O)(=O)c1ccccc1
O=C(NNC(=O)c1ccccc1Cl)c1ccc2ccc(Cl)cc2n1 Clc1ccccc1[*:1] O=C(NNC(=O)[*:1])c1ccc2ccc(Cl)cc2n1
COc1ccc(OC)c(CCN2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CCN1CC(=O)N([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
COc1ccc(OC)c(CCN2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 COc1ccc(OC)c(c1)[*:1] O=C1CN(CC[*:1])[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1
Cc1ccccc1NC(=O)NNC(=O)c1cccc(NC(=O)C2CCCCC2)c1 O=C(N[*:1])C1CCCCC1 Cc1ccccc1NC(=O)NNC(=O)c1cccc(c1)[*:1]
Cc1ccccc1NC(=O)NNC(=O)c1cccc(NC(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1ccccc1NC(=O)NNC(=O)c1cccc(c1)NC(=O)[*:1]
Cc1ccccc1NC(=O)NNC(=O)c1cccc(NC(=O)C2CCCCC2)c1 Cc1ccccc1[*:1] O=C(NNC(=O)c1cccc(c1)NC(=O)C1CCCCC1)N[*:1]
N#Cc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1C#N c1ccc(cc1)[*:1] N#Cc1ccc(cc1C#N)-c1nc2ccccc2nc1[*:1]
Cc1cc(Br)ccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1cc(Br)ccc1N(C)C(=O)c1ccc(cc1)[*:1]
C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)CC#N)cc1 N#CC[*:1] C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)OC(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)CC#N)cc1 N#CCC(=O)N[*:1] C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)OC(=O)c1ccc(cc1)[*:1]
COc1ccc(Br)cc1N[C@H](C)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] COc1ccc(Br)cc1N[C@H](C)C(=O)N[*:1]
CCc1ccc(-c2nc(CC(=O)NCc3cn(C)nc3CC)cs2)cc1 CCc1nn(C)cc1[*:1] CCc1ccc(cc1)-c1nc(cs1)CC(=O)NC[*:1]
CCc1ccc(-c2nc(CC(=O)NCc3cn(C)nc3CC)cs2)cc1 CCc1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)Cc1csc(n1)[*:1]
CCOC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CCOC(=O)N1N=C2c3ccc(cc3CC[C@H]2[C@H]1[*:1])OC
CCOC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)N1N=C2c3ccc(cc3CC[C@H]2[C@@H]1c1cccc(c1)[*:1])OC
CCN1CCO[C@H](C(=O)Nc2nc(CN3CCOCC3)cs2)C1 C1CN(CCO1)C[*:1] CCN1CCO[C@@H](C1)C(=O)Nc1nc(cs1)[*:1]
CCN1CCO[C@H](C(=O)Nc2nc(CN3CCOCC3)cs2)C1 C1CN(CCO1)[*:1] CCN1CCO[C@@H](C1)C(=O)Nc1nc(cs1)C[*:1]
Cc1ncsc1CNCc1cc(Cl)cc2cccnc12 Cc1ncsc1[*:1] Clc1cc(CNC[*:1])c2ncccc2c1
Fc1cccnc1N1CC[NH+](CCc2ccncc2)CC1 c1cc(ccn1)[*:1] Fc1cccnc1N1CC[NH+](CC1)CC[*:1]
Fc1cccnc1N1CC[NH+](CCc2ccncc2)CC1 c1cc(ccn1)C[*:1] Fc1cccnc1N1CC[NH+](CC1)C[*:1]
Fc1cccnc1N1CC[NH+](CCc2ccncc2)CC1 Fc1cccnc1[*:1] c1cc(ccn1)CC[NH+]1CCN(CC1)[*:1]
Cc1cc(C)n(-c2ccc(C[NH+](CCO)Cc3ccccc3)cc2)n1 Cc1cc(C)n(n1)[*:1] OCC[NH+](Cc1ccccc1)Cc1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ccc(C[NH+](CCO)Cc3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C[NH+](CCO)C[*:1]
Cc1cc(C)n(-c2ccc(C[NH+](CCO)Cc3ccccc3)cc2)n1 c1ccc(cc1)C[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C[NH+](CCO)[*:1]
Cc1cc(C)c(-c2csc(NC(=O)CN3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2)c(C)c1 O=C(NC1CC1)[*:1] Cc1cc(C)c(-c2csc(n2)NC(=O)CN2CC[NH+](CC2)[C@H](C)[*:1])c(C)c1
Cc1cc(C)c(-c2csc(NC(=O)CN3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2)c(C)c1 C1CC1[*:1] Cc1cc(C)c(-c2csc(n2)NC(=O)CN2CC[NH+](CC2)[C@H](C)C(=O)N[*:1])c(C)c1
Cc1cc(C)c(-c2csc(NC(=O)CN3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC1)CC(=O)Nc1nc(cs1)[*:1]
O=C(NCC(=O)N1CCC(O)(C(F)(F)F)CC1)C1CCCC1 C1CCC(C1)[*:1] O=C(CNC(=O)[*:1])N1CCC(O)(CC1)C(F)(F)F
O=C(NCC(=O)N1CCC(O)(C(F)(F)F)CC1)C1CCCC1 FC(F)(F)[*:1] O=C(NCC(=O)N1CCC(O)(CC1)[*:1])C1CCCC1
Cc1ccc(-c2ccnc(NC[C@H](C)N3CC[NH+](C)CC3)n2)c(C)n1 Cc1ccc(c(C)n1)[*:1] C[C@@H](CNc1nccc(n1)[*:1])N1CC[NH+](C)CC1
Cc1csc([C@@H](NC(=O)NCCc2ccc(O)cc2)C2CC2)n1 Oc1ccc(cc1)[*:1] Cc1csc(n1)[C@@H](NC(=O)NCC[*:1])C1CC1
Cc1csc([C@@H](NC(=O)NCCc2ccc(O)cc2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)NCCc1ccc(O)cc1)[*:1]
Cc1csc([C@@H](NC(=O)NCCc2ccc(O)cc2)C2CC2)n1 Cc1csc(n1)[*:1] O=C(NCCc1ccc(O)cc1)N[C@@H](C1CC1)[*:1]
C[C@@H]1SCCC[C@H]1[NH2+]CCCC(=O)NC1CC1 C1CC1[*:1] C[C@@H]1SCCC[C@H]1[NH2+]CCCC(=O)N[*:1]
CNC(=O)CC1CCN(C(=O)Nc2cccnc2-n2cccn2)CC1 c1cnn(c1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)Nc1cccnc1[*:1]
CNC(=O)CC1CCN(C(=O)Nc2cccnc2-n2cccn2)CC1 CNC(=O)C[*:1] O=C(Nc1cccnc1-n1cccn1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)Nc2cccnc2-n2cccn2)CC1 CNC(=O)[*:1] O=C(Nc1cccnc1-n1cccn1)N1CCC(CC1)C[*:1]
COC(=O)NCCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 COC(=O)N[*:1] O=C(CC[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
COC(=O)NCCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 COC(=O)NCC[*:1] O=C(NC[C@@H]1C[C@]12CCc1ccccc12)[*:1]
COC(=O)NCCC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 COC(=O)NC[*:1] O=C(C[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
Cc1c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])oc2c1C(=O)CCC2 O=[N+]([O-])[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N1CCc2c1cccc2[*:1]
O=C(CCCc1ccccc1)Nc1ccc(-n2cnnn2)cc1 c1ccc(cc1)[*:1] O=C(CCC[*:1])Nc1ccc(cc1)-n1cnnn1
O=C(CCCc1ccccc1)Nc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(CCCc1ccccc1)Nc1ccc(cc1)[*:1]
O=C(CCCc1ccccc1)Nc1ccc(-n2cnnn2)cc1 c1ccc(cc1)C[*:1] O=C(CC[*:1])Nc1ccc(cc1)-n1cnnn1
O=C(O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O)c1cccnc1 O=C([O-])[*:1] O=C(O[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)[*:1])c1cccnc1
O=C(O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O)c1cccnc1 c1cncc(c1)[*:1] O=C([O-])[C@@H]1O[C@H](OC(=O)[*:1])[C@@H](O)[C@H](O)[C@H]1O
O=C(Cc1cccs1)Nc1cc(F)c(F)cc1Cl c1csc(c1)[*:1] O=C(C[*:1])Nc1cc(F)c(F)cc1Cl
O=C(Cc1cccs1)Nc1cc(F)c(F)cc1Cl c1csc(c1)C[*:1] O=C(Nc1cc(F)c(F)cc1Cl)[*:1]
O=C(NC(=S)N1CCOCC1)c1ccccc1C(=O)OCC(F)(F)F FC(F)(F)C[*:1] O=C(NC(=S)N1CCOCC1)c1ccccc1C(=O)O[*:1]
O=C(NC(=S)N1CCOCC1)c1ccccc1C(=O)OCC(F)(F)F FC(F)(F)[*:1] O=C(NC(=S)N1CCOCC1)c1ccccc1C(=O)OC[*:1]
O=C(NC(=S)N1CCOCC1)c1ccccc1C(=O)OCC(F)(F)F O=C(OCC(F)(F)F)[*:1] O=C(NC(=S)N1CCOCC1)c1ccccc1[*:1]
CC(C)[C@@H]([NH3+])c1ccn(Cc2cccnc2C#N)c1 CC(C)[*:1] N#Cc1ncccc1Cn1ccc(c1)[C@H]([NH3+])[*:1]
O=C(NCC1(c2cccs2)CC1)c1cc(=O)c2ccccc2o1 c1csc(c1)[*:1] O=C(NCC1(CC1)[*:1])c1cc(=O)c2ccccc2o1
Cc1ccc(C)c(NC(=O)[C@H](C)S(=O)(=O)[C@H](C)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](C)S(=O)(=O)[C@H](C)[*:1]
Cc1ccc(C)c(NC(=O)[C@H](C)S(=O)(=O)[C@H](C)c2ccc(Cl)cc2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)[C@H](C)c1ccc(Cl)cc1
Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1OC(F)F FC(F)O[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cc(C#N)cn1C
Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1OC(F)F FC(F)[*:1] Cc1ccc(cc1O[*:1])NC(=O)c1cc(C#N)cn1C
COC(=O)/C=C(\Nc1ccc(C)cc1C)C(N)=O NC(=O)[*:1] COC(=O)/C=C(\Nc1ccc(C)cc1C)[*:1]
COC(=O)/C=C(\Nc1ccc(C)cc1C)C(N)=O COC(=O)[*:1] Cc1ccc(NC(=C[*:1])C(N)=O)c(C)c1
COc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)Cc1nccs1 c1csc(n1)[*:1] COc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)C[*:1]
COc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)Cc1nccs1 c1csc(C[*:1])n1 COc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)[*:1]
CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1cn(C)c(=O)cc1C CCC=C(C)[*:1] Cc1cc(=O)n(C)cc1NC(=O)[C@@H]1CSCN1C(=O)[*:1]
CCC[NH2+]Cc1csc([C@H]2CN(CC)CCO2)n1 CCC[*:1] CCN1CCO[C@H](C1)c1nc(cs1)C[NH2+][*:1]
CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] CC[C@@H](CS(=O)(=O)[*:1])[NH2+][C@@H](C)c1ccc2OCOc2c1
O=C([O-])c1cncc(OCC[NH+]2CCCC2)n1 O=C([O-])[*:1] c1ncc(nc1OCC[NH+]1CCCC1)[*:1]
O=C(NC(=S)N[C@@H]1CCSC1=O)c1ccco1 c1coc(c1)[*:1] O=C1SCC[C@H]1NC(=S)NC(=O)[*:1]
CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)NC(C)C)c(Cl)cc1Cl c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)NC(C)C
CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)NC(C)C)c(Cl)cc1Cl c1ccc(cc1)C[*:1] CCN(C(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)NC(C)C)[*:1]
CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)NC(C)C)c(Cl)cc1Cl CC(C)[*:1] CCN(Cc1ccccc1)C(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N[*:1]
CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)NC(C)C)c(Cl)cc1Cl CC(C)NS(=O)(=O)[*:1] CCN(Cc1ccccc1)C(=O)c1cc(c(Cl)cc1Cl)[*:1]
O=C(Nc1ccccc1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)o1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1ccccc1-c1ccccc1)c1ccc(o1)[*:1]
O=C(Nc1ccccc1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)o1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(o1)S(=O)(=O)N1CCCCC1
Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)[nH]c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccccc3[*:1])[nH]c(=O)c2c1C
CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2cccnc2Cl)c1 CC(C)(C)[*:1] O=C(Cc1cccc(c1)NC(=O)O[*:1])Nc1cccnc1Cl
CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2cccnc2Cl)c1 Clc1ncccc1[*:1] CC(C)(C)OC(=O)Nc1cccc(c1)CC(=O)N[*:1]
CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2cccnc2Cl)c1 CC(C)(C)OC(=O)N[*:1] O=C(Cc1cccc(c1)[*:1])Nc1cccnc1Cl
COc1cc2c(cc1OC)[C@H](CCO)[NH2+]CC2 OCC[*:1] COc1cc2CC[NH2+][C@@H](c2cc1OC)[*:1]
O=C(NCCO)Nc1cccc(OCc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] O=C(NCCO)Nc1cccc(c1)OC[*:1]
O=C(NCCO)Nc1cccc(OCc2cccc(F)c2)c1 O=C(NCCO)N[*:1] Fc1cccc(c1)COc1cccc(c1)[*:1]
O=C(NCCO)Nc1cccc(OCc2cccc(F)c2)c1 OCC[*:1] O=C(Nc1cccc(c1)OCc1cccc(F)c1)N[*:1]
COC(=O)CN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1ccccc1 COC(=O)C[*:1] O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(/C(=N/c2ccccc2)S1)[*:1]
COC(=O)CN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1ccccc1 c1ccc(cc1)[*:1] COC(=O)CN1C(=O)C[C@@H](SC1=N[*:1])C(=O)Nc1ccccc1Cl
COC(=O)CN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1ccccc1 COC(=O)[*:1] O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(C[*:1])/C(=N/c2ccccc2)S1
COC(=O)CN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1ccccc1 Clc1ccccc1[*:1] COC(=O)CN1C(=O)C[C@@H](S/C1=N\c1ccccc1)C(=O)N[*:1]
CCO[C@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)OCCO3)C12CCC2 CCO[*:1] O=C(NCc1ccc2OCCOc2c1)N[C@@H]1C[C@@H](C12CCC2)[*:1]
C[C@@H]1CCCCN1C(=O)COc1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 C[C@@H]1CCCCN1C(=O)COc1ccc(cc1)[*:1]
C[C@@H]1CCCCN1C(=O)COc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] C[C@@H]1CCCCN1C(=O)COc1ccc(cc1)NC(=O)[*:1]
CCOc1cc(C)c(S(=O)(=O)NCCOC)cc1C CCO[*:1] COCCNS(=O)(=O)c1cc(C)c(cc1C)[*:1]
CCOc1cc(C)c(S(=O)(=O)NCCOC)cc1C COCC[*:1] CCOc1cc(C)c(cc1C)S(=O)(=O)N[*:1]
CCOc1cc(C)c(S(=O)(=O)NCCOC)cc1C COC[*:1] CCOc1cc(C)c(cc1C)S(=O)(=O)NC[*:1]
CN1C(=O)CC[C@H](C(=O)NCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 N#CC[*:1] CN1C(=O)CC[C@H](C(=O)N[*:1])[C@@H]1c1ccc(cc1)C(F)(F)F
CN1C(=O)CC[C@H](C(=O)NCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CN1C(=O)CC[C@H](C(=O)NCC#N)[C@@H]1c1ccc(cc1)[*:1]
CN1C(=O)CC[C@H](C(=O)NCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 N#CCNC(=O)[*:1] CN1C(=O)CC[C@H]([C@@H]1c1ccc(cc1)C(F)(F)F)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2cccc(CO)c2)cc1 Cc1ccc(cc1)[*:1] O=C(NC(=S)Nc1cccc(c1)CO)[*:1]
O=C1CN(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)C2(CCCCC2)C(=O)N1 Clc1cccc(c1)[*:1] O=C1CN(C(=O)CSc2nnc(o2)[*:1])C2(CCCCC2)C(=O)N1
CC(C)[NH2+][C@]1(CO)CC[C@@H](N2CC[NH+](C3CC3)CC2)C1 CC(C)[NH2+][*:1] OC[C@@]1(CC[C@H](C1)N1CC[NH+](CC1)C1CC1)[*:1]
CC(C)[NH2+][C@]1(CO)CC[C@@H](N2CC[NH+](C3CC3)CC2)C1 C1CC1[*:1] CC(C)[NH2+][C@]1(CO)CC[C@H](C1)N1CC[NH+](CC1)[*:1]
CC(C)[NH2+][C@]1(CO)CC[C@@H](N2CC[NH+](C3CC3)CC2)C1 CC(C)[*:1] OC[C@]1(CC[C@H](C1)N1CC[NH+](CC1)C1CC1)[NH2+][*:1]
COC(=O)C[C@@H](NC(=O)/C=C/c1ccco1)c1cccs1 C(=C[*:1])c1ccco1 COC(=O)C[C@@H](NC(=O)[*:1])c1cccs1
COC(=O)C[C@@H](NC(=O)/C=C/c1ccco1)c1cccs1 COC(=O)[*:1] O=C(/C=C/c1ccco1)N[C@H](C[*:1])c1cccs1
COC(=O)C[C@@H](NC(=O)/C=C/c1ccco1)c1cccs1 COC(=O)C[*:1] O=C(/C=C/c1ccco1)N[C@@H](c1cccs1)[*:1]
COC(=O)C[C@@H](NC(=O)/C=C/c1ccco1)c1cccs1 c1csc(c1)[*:1] COC(=O)C[C@@H](NC(=O)/C=C/c1ccco1)[*:1]
COC(=O)C[C@@H](NC(=O)/C=C/c1ccco1)c1cccs1 c1coc(c1)[*:1] COC(=O)C[C@@H](NC(=O)C=C[*:1])c1cccs1
CCN(CC(=O)NC)C(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] CCN(CC(=O)NC)C(=O)c1n[nH]c(n1)[*:1]
CCN(CC(=O)NC)C(=O)c1n[nH]c(C2CC2)n1 CNC(=O)C[*:1] CCN(C(=O)c1n[nH]c(n1)C1CC1)[*:1]
CCN(CC(=O)NC)C(=O)c1n[nH]c(C2CC2)n1 CNC(=O)[*:1] CCN(C[*:1])C(=O)c1n[nH]c(n1)C1CC1
CC[C@H](C)C(=O)Nc1cnn(CC[NH+](C)C)c1 CC[C@H](C)[*:1] C[NH+](C)CCn1cc(cn1)NC(=O)[*:1]
Cc1cc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)on1 Cc1cc(on1)[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccc(cc2)CNC(=O)[*:1])C1
O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1NCCc2[nH]c[nH+]c21 C1CN(CCO1)[*:1] O=C(NCC1(CCCCC1)[*:1])[C@@H]1NCCc2[nH]c[nH+]c21
CC(C)c1nsc(NCCC(=O)NC(N)=O)n1 CC(C)[*:1] NC(=O)NC(=O)CCNc1nc(ns1)[*:1]
COc1cc(OC)cc(-c2nnc(SCc3cccc(C)c3)o2)c1 Cc1cccc(c1)[*:1] COc1cc(cc(c1)-c1nnc(o1)SC[*:1])OC
COc1cc(OC)cc(-c2nnc(SCc3cccc(C)c3)o2)c1 Cc1cccc(c1)C[*:1] COc1cc(cc(c1)-c1nnc(o1)S[*:1])OC
Cc1cc(NC(=O)C[NH+](C)CC2CCCCC2)on1 C1CCC(CC1)[*:1] Cc1cc(NC(=O)C[NH+](C)C[*:1])on1
Cc1cc(NC(=O)C[NH+](C)CC2CCCCC2)on1 Cc1cc(on1)[*:1] C[NH+](CC(=O)N[*:1])CC1CCCCC1
O=C(CCNC(=O)c1cccc2ccoc12)Nc1cccnc1 c1cncc(c1)[*:1] O=C(CCNC(=O)c1cccc2ccoc12)N[*:1]
COc1cc2c(cc1[C@H]1NC(=S)NC(C)=C1C(=O)N(C)C)CCCC2 CN(C)C(=O)[*:1] COc1cc2CCCCc2cc1[C@H]1NC(=S)NC(C)=C1[*:1]
CCOC(=O)C1(C)CCN(Cc2nc3c(F)cccc3[nH]2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)Cc1nc2c(F)cccc2[nH]1)[*:1]
Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O CC(C)[*:1] Cc1nc(sc1[C@@H](C)[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O)[*:1]
Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O CS(=O)(=O)N[*:1] Cc1nc(sc1[C@@H](C)[NH2+]C[C@H]1CCC[C@H]1[*:1])C(C)C
NC(=O)C[NH+]1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 NC(=O)[*:1] O=C(c1c(F)cc(F)cc1F)C1CC[NH+](CC1)C[*:1]
NC(=O)C[NH+]1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 NC(=O)C[*:1] O=C(c1c(F)cc(F)cc1F)C1CC[NH+](CC1)[*:1]
CC(C)(NC(=O)C[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1 c1ccc(cc1)[*:1] CC(C)(NC(=O)C[C@@H](O)[*:1])c1ccc(F)c(F)c1
CC(C)(C)C(=O)CSCC(=O)Nc1nc2c(s1)CCC2 CC(C)(C)C(=O)[*:1] O=C(CSC[*:1])Nc1nc2CCCc2s1
CC(C)(C)C(=O)CSCC(=O)Nc1nc2c(s1)CCC2 CC(C)(C)[*:1] O=C(CSCC(=O)[*:1])Nc1nc2CCCc2s1
COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4cccc(Cn5nc(C)cc5C)c4)c23)cc1 C1CC1[*:1] COc1ccc(cc1)-c1noc2nc(cc(C(=O)Nc3cccc(c3)Cn3nc(C)cc3C)c12)[*:1]
COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4cccc(Cn5nc(C)cc5C)c4)c23)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)n(Cc2cccc(c2)NC(=O)c2cc(nc3onc(c23)[*:1])C2CC2)n1
COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4cccc(Cn5nc(C)cc5C)c4)c23)cc1 Cc1cc(C)n(C[*:1])n1 COc1ccc(cc1)-c1noc2nc(cc(C(=O)Nc3cccc(c3)[*:1])c12)C1CC1
COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4cccc(Cn5nc(C)cc5C)c4)c23)cc1 Cc1cc(C)n(n1)[*:1] COc1ccc(cc1)-c1noc2nc(cc(C(=O)Nc3cccc(c3)C[*:1])c12)C1CC1
CC(C)C(=O)N1CCC(C(=O)NNc2cccc(C(F)(F)F)c2)CC1 CC(C)[*:1] O=C(NNc1cccc(c1)C(F)(F)F)C1CCN(CC1)C(=O)[*:1]
CC(C)C(=O)N1CCC(C(=O)NNc2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC(C)C(=O)N1CCC(CC1)C(=O)NNc1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)N2C/C=C\CN(S(=O)(=O)c3ccc(C)cc3)C/C=C\C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1C/C=C\CN(C/C=C\C1)S(=O)(=O)[*:1]
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NCC(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NCC(=O)O[*:1]
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NCC(=O)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NCC(=O)OC[*:1]
O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(cc1)C[*:1]
O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(CN2CCOCC2)cc1 Clc1ccc(Cl)c(c1)[*:1] O=C(CO[*:1])NCc1ccc(cc1)CN1CCOCC1
O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(CN2CCOCC2)cc1 Clc1ccc(Cl)c(c1)O[*:1] O=C(C[*:1])NCc1ccc(cc1)CN1CCOCC1
O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(cc1)[*:1]
CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)cs1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)CSc1nc(cs1)[*:1]
CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)cs1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)-c1csc(n1)SC[*:1]
C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N(C)CC[NH+]1CCCC1 Fc1ccccc1[*:1] C[C@@H](C(=O)NC(=O)N[*:1])N(C)CC[NH+]1CCCC1
O=C(Nc1ccccc1SC1CCCC1)[C@H]1CCCS1 C1CCC(C1)S[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CCCS1
O=C(Nc1ccccc1SC1CCCC1)[C@H]1CCCS1 C1CCC(C1)[*:1] O=C(Nc1ccccc1S[*:1])[C@H]1CCCS1
NC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 NC(=O)[*:1] O=C(Nc1ccc(Cl)cc1[*:1])[C@@H]1CC(=O)N(CCc2ccccc2)C1
NC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] NC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
NC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] NC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
NC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CC(=O)N(CC[*:1])C1
CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3cnccc23)cc1 CCNS(=O)(=O)[*:1] O=C(Nc1cccc2cnccc12)c1ccc(cc1)[*:1]
O=C(CCc1ccccc1)N1CCOCCOCC[NH2+]CCOCCOCC1 c1ccc(cc1)[*:1] O=C(CC[*:1])N1CCOCCOCC[NH2+]CCOCCOCC1
O=C(CCc1ccccc1)N1CCOCCOCC[NH2+]CCOCCOCC1 c1ccc(cc1)CC[*:1] O=C(N1CCOCCOCC[NH2+]CCOCCOCC1)[*:1]
O=C(CCc1ccccc1)N1CCOCCOCC[NH2+]CCOCCOCC1 c1ccc(cc1)C[*:1] O=C(C[*:1])N1CCOCCOCC[NH2+]CCOCCOCC1
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(=O)[O-])cc2)c2c(n(C)c(=O)n(C)c2=O)N1 O=C([O-])[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@@H](C=1C(=O)OCC(C)C)c1ccc(cc1)[*:1]
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(=O)[O-])cc2)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)COC(=O)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@@H](C=1[*:1])c1ccc(cc1)C(=O)[O-]
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(=O)[O-])cc2)c2c(n(C)c(=O)n(C)c2=O)N1 O=C([O-])c1ccc(cc1)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@H](C=1C(=O)OCC(C)C)[*:1]
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(=O)[O-])cc2)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)C[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@@H](C=1C(=O)O[*:1])c1ccc(cc1)C(=O)[O-]
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(=O)[O-])cc2)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@@H](C=1C(=O)OC[*:1])c1ccc(cc1)C(=O)[O-]
COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2F)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F
COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2F)ccc1OC(F)F Fc1cccc(c1F)[*:1] COc1cc(ccc1OC(F)F)[C@@H](C)[NH2+][C@H](C)[*:1]
COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2F)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F
CCS(=O)(=O)CC(=O)N(Cc1ccccc1)C1CCCCC1 CCS(=O)(=O)C[*:1] O=C(N(Cc1ccccc1)C1CCCCC1)[*:1]
CCS(=O)(=O)CC(=O)N(Cc1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] CCS(=O)(=O)CC(=O)N(C[*:1])C1CCCCC1
CCS(=O)(=O)CC(=O)N(Cc1ccccc1)C1CCCCC1 c1ccc(cc1)C[*:1] CCS(=O)(=O)CC(=O)N(C1CCCCC1)[*:1]
CCS(=O)(=O)CC(=O)N(Cc1ccccc1)C1CCCCC1 CCS(=O)(=O)[*:1] O=C(C[*:1])N(Cc1ccccc1)C1CCCCC1
CCS(=O)(=O)CC(=O)N(Cc1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] CCS(=O)(=O)CC(=O)N(Cc1ccccc1)[*:1]
CC1(CNc2nc3ccc(F)cn3n2)CCCC1 CC1(CCCC1)[*:1] Fc1ccc2nc(nn2c1)NC[*:1]
O=C(CSc1ccc(Br)cc1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(CSc1ccc(Br)cc1)N[*:1]
O=C(CSc1ccc(Br)cc1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(CSc1ccc(Br)cc1)NC[*:1]
CC(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 CC(C)C(=O)N[*:1] c1ccc2cc(ccc2c1)C[NH2+]Cc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)C[NH2+]Cc1ccc2ccccc2c1)[*:1]
CCC[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 CC(C)(C)[*:1] CCC[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cnc(nc1)[*:1]
CCC[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 CCC[*:1] CC(C)(C)c1ncc(cn1)NC(=O)C(=O)N[C@H]1C[C@@H]1[*:1]
O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)Nc1cccc(c1)[*:1]
O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)N[*:1]
O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)Nc1cccc(C(F)(F)F)c1 Fc1ccc(cc1)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21)Nc1cccc(c1)C(F)(F)F
CS(=O)(=O)c1cccc(Oc2ncc(C(N)=O)cc2Cl)c1 CS(=O)(=O)[*:1] NC(=O)c1cnc(Oc2cccc(c2)[*:1])c(Cl)c1
CS(=O)(=O)c1cccc(Oc2ncc(C(N)=O)cc2Cl)c1 NC(=O)[*:1] CS(=O)(=O)c1cccc(c1)Oc1ncc(cc1Cl)[*:1]
CC(=O)c1ccc(Oc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c23)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1sc2nc(C[NH+]3CCCC3)nc(O[*:1])c2c1C
CC(=O)c1ccc(Oc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c23)cc1 CC(=O)[*:1] Cc1sc2nc(C[NH+]3CCCC3)nc(Oc3ccc(cc3)[*:1])c2c1C
CC[C@H](C)Nc1ncnc2[nH]ccc12 CC[C@H](C)[*:1] c1nc(N[*:1])c2cc[nH]c2n1
Cn1cnc(S(=O)(=O)N2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)c1 Cn1cnc(c1)[*:1] O=S(=O)(N1CCc2nc(sc2C1)-c1cccc(c1)C(F)(F)F)[*:1]
Cn1cnc(S(=O)(=O)N2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)c1 FC(F)(F)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCc2nc(sc2C1)-c1cccc(c1)[*:1]
O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)NC(Nc2ccccc2)=N1 Clc1cccc(c1Cl)[*:1] O=C1C[C@H](NC(=N1)Nc1ccccc1)C(=O)N[*:1]
O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)NC(Nc2ccccc2)=N1 c1ccc(cc1)[*:1] O=C1C[C@H](NC(=N1)N[*:1])C(=O)Nc1cccc(Cl)c1Cl
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(Cn2cncn2)cc1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)c1ccc(cc1)Cn1cncn1
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 CN(Cc1cnn(c1)-c1ccccc1)C(=O)c1ccc(cc1)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)c1ccc(cc1)C[*:1]
CCC(=O)N1CCc2cc(C(=O)NC3(C(=O)[O-])CCCC3)ccc21 O=C([O-])[*:1] CCC(=O)N1CCc2cc(ccc21)C(=O)NC1(CCCC1)[*:1]
Cc1nc(Cl)sc1C(=O)NCc1cn2cc(Cl)ccc2n1 Cc1nc(Cl)sc1[*:1] O=C(NCc1cn2cc(Cl)ccc2n1)[*:1]
CC[C@@H](CNC(=O)c1[nH]nc(C2CC2)c1Cl)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)c1[nH]nc(c1Cl)C1CC1)[*:1]
CC[C@@H](CNC(=O)c1[nH]nc(C2CC2)c1Cl)c1ccccc1 C1CC1[*:1] CC[C@@H](CNC(=O)c1[nH]nc(c1Cl)[*:1])c1ccccc1
CSCc1ccnc(N(C)Cc2ccc([S@](C)=O)cc2)c1 C[S@](=O)[*:1] CSCc1ccnc(c1)N(C)Cc1ccc(cc1)[*:1]
CSCc1ccnc(N(C)Cc2ccc([S@](C)=O)cc2)c1 CSC[*:1] CN(Cc1ccc(cc1)[S@](C)=O)c1cc(ccn1)[*:1]
CC(F)(F)S(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1N CC(F)(F)[*:1] Nc1c(Br)cc(cc1S(=O)(=O)[*:1])[N+](=O)[O-]
CC(F)(F)S(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1N O=[N+]([O-])[*:1] CC(F)(F)S(=O)(=O)c1cc(cc(Br)c1N)[*:1]
Cc1cc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)nn1C FC(F)(F)C[*:1] Cc1cc(nn1C)C(=O)Nc1cc(Cl)ccc1O[*:1]
Cc1cc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)nn1C FC(F)(F)[*:1] Cc1cc(nn1C)C(=O)Nc1cc(Cl)ccc1OC[*:1]
Cc1cc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)nn1C FC(F)(F)CO[*:1] Cc1cc(nn1C)C(=O)Nc1cc(Cl)ccc1[*:1]
Cc1cc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)nn1C Cc1cc(nn1C)[*:1] O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[*:1]
[NH3+][C@@H](C(=O)[O-])[C@@H](O)c1cccs1 O=C([O-])[*:1] [NH3+][C@@H]([C@@H](O)c1cccs1)[*:1]
O=C(Oc1cccc2[nH]ccc12)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Oc1cccc2[nH]ccc12)c1ccc(cc1)[*:1]
Cc1ccc(NNC(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)n[nH+]1 C1CCC(C1)[*:1] Cc1ccc(n[nH+]1)NNC(=O)N[C@H]1CCCC[C@@H]1O[*:1]
Cc1ccc(NNC(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)n[nH+]1 C1CCC(C1)O[*:1] Cc1ccc(n[nH+]1)NNC(=O)N[C@H]1CCCC[C@H]1[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)NCc2ccccn2)cc1 c1ccc(C[*:1])nc1 CCN(CC)C(=O)Cc1ccc(cc1)NC(=O)N[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)NCc2ccccn2)cc1 CCN(CC)C(=O)C[*:1] O=C(NCc1ccccn1)Nc1ccc(cc1)[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)NCc2ccccn2)cc1 c1ccc(nc1)[*:1] CCN(CC)C(=O)Cc1ccc(cc1)NC(=O)NC[*:1]
CCN(CC)C(=O)Cc1ccc(NC(=O)NCc2ccccn2)cc1 CCN(CC)C(=O)[*:1] O=C(NCc1ccccn1)Nc1ccc(cc1)C[*:1]
O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)CSc2ncccn2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)[*:1])[C@H]1CCCN(C1)C(=O)CSc1ncccn1
O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)CSc2ncccn2)C1 c1cnc(nc1)S[*:1] O=C(c1ccc(cc1)-c1ccccc1)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)CSc2ncccn2)C1 c1cnc(nc1)[*:1] O=C(c1ccc(cc1)-c1ccccc1)[C@H]1CCCN(C1)C(=O)CS[*:1]
O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)CSc2ncccn2)C1 c1cnc(nc1)SC[*:1] O=C(c1ccc(cc1)-c1ccccc1)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)COC(=O)Nc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 CC(C)COC(=O)N[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cccc(c1)[*:1]
CC(C)COC(=O)Nc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 CC(C)[*:1] O=C(Nc1cccc(c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)OC[*:1]
CC(C)COC(=O)Nc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 CC(C)C[*:1] O=C(Nc1cccc(c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)O[*:1]
Cc1ccc(NC(=O)[C@@H](C)N2C(=O)COc3ccc(Cl)cc32)cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)N[*:1])N1C(=O)COc2ccc(Cl)cc21
Cc1ccc([C@H]2CC[NH2+]C[C@H]2CC(C)C)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@H]1CC[NH2+]C[C@H]1C[*:1]
Cc1ccc([C@H]2CC[NH2+]C[C@H]2CC(C)C)cc1F CC(C)C[*:1] Cc1ccc(cc1F)[C@H]1CC[NH2+]C[C@@H]1[*:1]
CCCNc1ncnc(N2CCCC[C@H]2C)c1[N+](=O)[O-] CCCN[*:1] C[C@@H]1CCCCN1c1ncnc(c1[N+](=O)[O-])[*:1]
CCCNc1ncnc(N2CCCC[C@H]2C)c1[N+](=O)[O-] CCC[*:1] C[C@@H]1CCCCN1c1ncnc(N[*:1])c1[N+](=O)[O-]
CCCNc1ncnc(N2CCCC[C@H]2C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCNc1ncnc(c1[*:1])N1CCCC[C@H]1C
C/C(=N\Nc1ccccc1C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C/C(=N\Nc1ccccc1C(=O)[O-])c1ccc(cc1)[*:1]
C/C(=N\Nc1ccccc1C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 O=C([O-])[*:1] C/C(=N\Nc1ccccc1[*:1])c1ccc(cc1)S(C)(=O)=O
COCCn1nc(C)c(NC(=O)N2CCO[C@](C)(c3ccccc3)C2)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)N1CCO[C@@](C)(C1)c1ccccc1)[*:1]
COCCn1nc(C)c(NC(=O)N2CCO[C@](C)(c3ccccc3)C2)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)N1CCO[C@@](C)(C1)c1ccccc1
COCCn1nc(C)c(NC(=O)N2CCO[C@](C)(c3ccccc3)C2)c1C c1ccc(cc1)[*:1] COCCn1nc(C)c(NC(=O)N2CCO[C@](C)(C2)[*:1])c1C
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1csc(COc2ccc(N)c3ccccc23)n1 Cc1csc(n1)[*:1] Nc1ccc(OC[*:1])c2ccccc12
CC(C)c1csc(NC(=O)[C@H](C)[NH+](C)C)n1 CC(C)[*:1] C[C@@H](C(=O)Nc1nc(cs1)[*:1])[NH+](C)C
Cc1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)s1 Fc1ccc(cc1F)[*:1] Cc1cnc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])s1
Cc1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)s1 Cc1cnc(s1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1
CCn1c(C)c(C(=O)NC2(C(N)=O)CCCC2)c2cc(OC)ccc21 NC(=O)C1(CCCC1)[*:1] CCn1c(C)c(C(=O)N[*:1])c2cc(ccc21)OC
CCn1c(C)c(C(=O)NC2(C(N)=O)CCCC2)c2cc(OC)ccc21 NC(=O)[*:1] CCn1c(C)c(C(=O)NC2(CCCC2)[*:1])c2cc(ccc21)OC
C[C@H](NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1-c1ccccc1)c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1[*:1])c1ccc(Cl)cc1Cl
C[C@H](NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1-c1ccccc1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1-c1ccccc1)[*:1]
C[C@H](NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1-c1ccccc1)c1ccc(Cl)cc1Cl C1CC1[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nnc(n1-c1ccccc1)[*:1])c1ccc(Cl)cc1Cl
C[C@H](NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1-c1ccccc1)c1ccc(Cl)cc1Cl C[C@H](c1ccc(Cl)cc1Cl)[*:1] C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N[*:1]
CCc1nn(C)c(NC[C@@H](c2ccc(C)o2)N2CCOCC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(NC[C@@H](c2ccc(C)o2)N2CCOCC2)c1[*:1]
CCc1nn(C)c(NC[C@@H](c2ccc(C)o2)N2CCOCC2)c1[N+](=O)[O-] Cc1ccc(o1)[*:1] CCc1nn(C)c(NC[C@@H](N2CCOCC2)[*:1])c1[N+](=O)[O-]
CCc1nn(C)c(NC[C@@H](c2ccc(C)o2)N2CCOCC2)c1[N+](=O)[O-] C1CN(CCO1)[*:1] CCc1nn(C)c(NC[C@@H](c2ccc(C)o2)[*:1])c1[N+](=O)[O-]
CN(C)c1ccc(NC(=O)CCSc2ccccn2)cn1 c1ccc(nc1)S[*:1] CN(C)c1ccc(cn1)NC(=O)CC[*:1]
CN(C)c1ccc(NC(=O)CCSc2ccccn2)cn1 c1ccc(nc1)[*:1] CN(C)c1ccc(cn1)NC(=O)CCS[*:1]
CN(C)c1ccc(NC(=O)CCSc2ccccn2)cn1 CN(C)[*:1] O=C(CCSc1ccccn1)Nc1ccc(nc1)[*:1]
Cc1ccc(S(=O)(=O)c2c(N)n(CC(C)C)c3nc4ccccc4nc23)cc1 Cc1ccc(cc1)[*:1] CC(C)Cn1c(N)c(c2nc3ccccc3nc21)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)c2c(N)n(CC(C)C)c3nc4ccccc4nc23)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
Cc1ccc(S(=O)(=O)c2c(N)n(CC(C)C)c3nc4ccccc4nc23)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
O=C(Cc1ccccc1Cl)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 O=[N+]([O-])[*:1] O=C(Cc1ccccc1Cl)Nc1cc(n[nH]1)-c1cccc(c1)[*:1]
O=C(Cc1ccccc1Cl)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 Clc1ccccc1C[*:1] O=C(Nc1cc(n[nH]1)-c1cccc(c1)[N+](=O)[O-])[*:1]
O=C(Cc1ccccc1Cl)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 Clc1ccccc1[*:1] O=C(C[*:1])Nc1cc(n[nH]1)-c1cccc(c1)[N+](=O)[O-]
CCOc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)on2)cc1 CCO[*:1] Cc1cc(no1)NC(=O)CSc1nnnn1-c1ccc(cc1)[*:1]
CCOc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)on2)cc1 Cc1cc(no1)[*:1] CCOc1ccc(cc1)-n1nnnc1SCC(=O)N[*:1]
CCN(C)C(=O)c1cccc(OC(=O)c2cn(-c3ccccc3)nc2C)c1 CCN(C)C(=O)[*:1] Cc1nn(cc1C(=O)Oc1cccc(c1)[*:1])-c1ccccc1
CCN(C)C(=O)c1cccc(OC(=O)c2cn(-c3ccccc3)nc2C)c1 c1ccc(cc1)[*:1] CCN(C)C(=O)c1cccc(c1)OC(=O)c1cn(nc1C)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 Cc1noc(C)c1[*:1] C[C@@H](C(=O)N1CCC(CC1)[NH+]1CCCCC1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NC1CC1)[C@H]1CCCN1C(=O)C[C@@H](O)c1ccccc1 O=C(NC1CC1)[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCC[C@@H]1[*:1]
O=C(NC1CC1)[C@H]1CCCN1C(=O)C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@H]1CCCN1C(=O)C[C@@H](O)[*:1]
O=C(NC1CC1)[C@H]1CCCN1C(=O)C[C@@H](O)c1ccccc1 C1CC1[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)C[C@@H](O)c1ccccc1
O=C(/C=C/N1CCCCC1)c1ccc(-c2ccccc2)cc1 C1CCN(CC1)[*:1] O=C(C=C[*:1])c1ccc(cc1)-c1ccccc1
O=C(/C=C/N1CCCCC1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(/C=C/N1CCCCC1)c1ccc(cc1)[*:1]
Brc1ccccc1-c1cnn(-c2ccccn2)c1 c1ccc(nc1)[*:1] Brc1ccccc1-c1cnn(c1)[*:1]
O=C(Nc1c(F)cccc1F)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 Fc1cccc(F)c1[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1
O=C(Nc1c(F)cccc1F)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1c(F)cccc1F)[C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
CCC(CC)c1nnc(NC(=O)c2cc(S(N)(=O)=O)ccc2Cl)s1 NS(=O)(=O)[*:1] CCC(CC)c1nnc(NC(=O)c2cc(ccc2Cl)[*:1])s1
CCC(CC)c1nnc(NC(=O)c2cc(S(N)(=O)=O)ccc2Cl)s1 CCC(CC)[*:1] NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1nnc(s1)[*:1]
CCOc1cc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=Nc3ncnn32)ccc1OC(F)F O=[N+]([O-])[*:1] CCOc1cc(ccc1OC(F)F)[C@H]1CC(=Nc2ncnn21)c1cccc(c1)[*:1]
CCOc1cc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=Nc3ncnn32)ccc1OC(F)F CCO[*:1] O=[N+]([O-])c1cccc(c1)C1C[C@H](c2ccc(OC(F)F)c(c2)[*:1])n2ncnc2N=1
CCOc1cc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=Nc3ncnn32)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(ccc1[*:1])[C@H]1CC(=Nc2ncnn21)c1cccc(c1)[N+](=O)[O-]
CCOc1cc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=Nc3ncnn32)ccc1OC(F)F FC(F)[*:1] CCOc1cc(ccc1O[*:1])[C@H]1CC(=Nc2ncnn21)c1cccc(c1)[N+](=O)[O-]
CCOc1cc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=Nc3ncnn32)ccc1OC(F)F O=[N+]([O-])c1cccc(c1)[*:1] CCOc1cc(ccc1OC(F)F)[C@H]1CC(=Nc2ncnn21)[*:1]
O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 O=S1(=O)CC[C@@H](C1)[*:1] O=C([O-])c1ccc(cc1)S(=O)(=O)NC[*:1]
O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 O=C([O-])[*:1] O=S1(=O)CC[C@H](CNS(=O)(=O)c2ccc(cc2)[*:1])C1
Cn1c(CC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)nc2cc(F)ccc21 Fc1ccc(cc1)[*:1] Cn1c(CC[NH2+][C@@H]2CCC[C@@H]2[*:1])nc2cc(F)ccc21
C[C@@H](NC(=O)CSc1nncn1C)c1ccc(-c2cncnc2)cc1 Cn1cnnc1[*:1] C[C@@H](NC(=O)CS[*:1])c1ccc(cc1)-c1cncnc1
C[C@@H](NC(=O)CSc1nncn1C)c1ccc(-c2cncnc2)cc1 Cn1cnnc1S[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-c1cncnc1
C[C@@H](NC(=O)CSc1nncn1C)c1ccc(-c2cncnc2)cc1 Cn1cnnc1SC[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-c1cncnc1
C[C@@H](NC(=O)CSc1nncn1C)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@@H](NC(=O)CSc1nncn1C)c1ccc(cc1)[*:1]
CCCNC(=O)CNC(=O)NC[C@@H]1CCCO1 CCC[*:1] O=C(CNC(=O)NC[C@@H]1CCCO1)N[*:1]
CCCNC(=O)CNC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCCNC(=O)CNC(=O)NC[*:1]
O=C(NC1CCCCC1)[C@H]1CC(c2c(F)cccc2Cl)=NO1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@H]1CC(=NO1)c1c(F)cccc1Cl
CC(C)[C@H](C)[NH2+]Cc1cncn1C1CC1 C1CC1[*:1] CC(C)[C@H](C)[NH2+]Cc1cncn1[*:1]
CC(C)[C@H](C)[NH2+]Cc1cncn1C1CC1 CC(C)[*:1] C[C@H]([NH2+]Cc1cncn1C1CC1)[*:1]
CC(C)[C@H](C)[NH2+]Cc1cncn1C1CC1 CC(C)[C@H](C)[*:1] c1ncn(c1C[NH2+][*:1])C1CC1
N/C(=[NH+]\C[C@@H]1CCCO1)SCc1ccccc1Cl C1CO[C@@H](C1)[*:1] N/C(=[NH+]\C[*:1])SCc1ccccc1Cl
Cn1ncnc1CNC(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] Cn1ncnc1CNC(=O)NC[C@@H](O)CO[*:1]
Cn1ncnc1CNC(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 Cn1ncnc1C[*:1] O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)N[*:1]
Cn1ncnc1CNC(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 Cn1ncnc1[*:1] O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)NC[*:1]
Cc1cc(C)c(-n2cccn2)c(CN2CCOC[C@H](C[NH+](C)C)C2)c1 c1cnn(c1)[*:1] Cc1cc(C)c(c(c1)CN1CCOC[C@@H](C1)C[NH+](C)C)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)Cc3ccc(C)c(OC)c3)c2)n1 COc1cc(ccc1C)[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)C[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)Cc3ccc(C)c(OC)c3)c2)n1 CCc1noc(n1)[*:1] COc1cc(ccc1C)CC(=O)Nc1cc(ccc1C)[*:1]
Cc1cc(F)ccc1[C@H](O)[C@@H](C)C#N C[C@@H](C#N)[*:1] Cc1cc(F)ccc1[C@H](O)[*:1]
COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)C3CCCCC3)C2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)-c1ccc2[C@@H]3C[C@@H](CN(C3)C(=O)[*:1])Cn2c1=O
COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)C3CCCCC3)C2)cc1 COc1ccc(cc1)[*:1] O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1ccc(c(=O)n1C2)[*:1]
Cc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1Cl CN(S(C)(=O)=O)[*:1] Cc1ccc(cc1Cl)N(CC(=O)Nc1cccc(c1)[*:1])S(C)(=O)=O
Cc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1Cl Cc1ccc(cc1Cl)[*:1] CN(c1cccc(c1)NC(=O)CN(S(C)(=O)=O)[*:1])S(C)(=O)=O
FC(F)(F)C(F)(F)[C@H]1CCCC[C@@H]1I FC(F)(F)[*:1] FC(F)([C@H]1CCCC[C@@H]1I)[*:1]
CCC[C@]1(CC(C)C)CCCCC[NH2+]1 CC(C)[*:1] CCC[C@@]1(CCCCC[NH2+]1)C[*:1]
CCC[C@]1(CC(C)C)CCCCC[NH2+]1 CCC[*:1] CC(C)C[C@@]1(CCCCC[NH2+]1)[*:1]
CCC[C@]1(CC(C)C)CCCCC[NH2+]1 CC(C)C[*:1] CCC[C@@]1(CCCCC[NH2+]1)[*:1]
Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)no1 c1coc(c1)C[*:1] Cc1cc(no1)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NCc1ccco1
Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)no1 c1coc(c1)[*:1] Cc1cc(no1)NC(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1Nc1ccc2c(c1)OCCO2 O=[N+]([O-])[*:1] O=S(=O)(Nc1ccccc1)c1ccc(Nc2ccc3OCCOc3c2)c(c1)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1Nc1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1Nc1ccc2OCCOc2c1)S(=O)(=O)N[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1Nc1ccc2c(c1)OCCO2 O=S(=O)(Nc1ccccc1)[*:1] O=[N+]([O-])c1cc(ccc1Nc1ccc2OCCOc2c1)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=[N+]([O-])c1cc(ccc1N[*:1])S(=O)(=O)Nc1ccccc1
NC(=O)CSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] NC(=O)CSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1[*:1]
NC(=O)CSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1ccccc1 NC(=O)C[*:1] O=c1c2c(csc2nc(S[*:1])n1Cc1ccccc1)-c1ccc(Cl)cc1
NC(=O)CSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] NC(=O)CSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1C[*:1]
NC(=O)CSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1ccccc1 NC(=O)[*:1] O=c1c2c(csc2nc(SC[*:1])n1Cc1ccccc1)-c1ccc(Cl)cc1
NC(=O)CSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1ccccc1 NC(=O)CS[*:1] O=c1c2c(csc2nc(n1Cc1ccccc1)[*:1])-c1ccc(Cl)cc1
NC(=O)CSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1ccccc1 Clc1ccc(cc1)[*:1] NC(=O)CSc1nc2scc(c2c(=O)n1Cc1ccccc1)[*:1]
CCO[C@@H]1C[C@H](N(C)c2cncc(-n3ccnc3C)n2)C12CCCC2 CCO[*:1] Cc1nccn1-c1cncc(n1)N(C)[C@H]1C[C@H](C12CCCC2)[*:1]
CCO[C@@H]1C[C@H](N(C)c2cncc(-n3ccnc3C)n2)C12CCCC2 Cc1nccn1[*:1] CCO[C@@H]1C[C@H](N(C)c2cncc(n2)[*:1])C12CCCC2
O=c1c2ccccc2ccn1CCS(=O)(=O)NC1CC[NH+](C2CC2)CC1 C1CC1[*:1] O=c1c2ccccc2ccn1CCS(=O)(=O)NC1CC[NH+](CC1)[*:1]
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C)o2)C12CCCCC2 CCO[*:1] Cc1ccc(o1)C(=O)NNC(=O)N[C@H]1C[C@H](C12CCCCC2)[*:1]
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C)o2)C12CCCCC2 Cc1ccc(o1)[*:1] CCO[C@@H]1C[C@H](NC(=O)NNC(=O)[*:1])C12CCCCC2
CC[NH2+][C@@H]1[C@@H](Sc2ccccc2)CCCC1(C)C c1ccc(cc1)[*:1] CC[NH2+][C@@H]1[C@H](CCCC1(C)C)S[*:1]
CS(=O)(=O)N1CCO[C@H](CNc2nnc(C3CCC3)o2)C1 C1CC(C1)[*:1] CS(=O)(=O)N1CCO[C@H](CNc2nnc(o2)[*:1])C1
O=C(NCCSc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCSc1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCSc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCS[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCCSc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)SC[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCCSc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)S[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
COc1ccsc1C(=O)NCc1c[nH]cn1 c1nc(c[nH]1)[*:1] COc1ccsc1C(=O)NC[*:1]
Cc1ccc(CCC2CCN(C(=O)C3C[C@H](C)O[C@@H](C)C3)CC2)cc1 Cc1ccc(cc1)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC(CC1)C[*:1]
Cc1ccc(CCC2CCN(C(=O)C3C[C@H](C)O[C@@H](C)C3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC(CC1)CC[*:1]
O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] O=C(/C=C/c1ccc2OCCOc2c1)N1CCN(CC1)[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc21 COc1ccc(cc1)[*:1] C=CCN1C(=O)C(C)(C)COc2ccc(cc21)NS(=O)(=O)[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc21 C=CC[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccc2OCC(C)(C)C(=O)N(c2c1)[*:1]
CSc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1 CC(=O)N[*:1] CSc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[*:1]
CC[C@@](C)([C@@H](O)C1CCCC1)[NH+]1CCCCC1 C1CCC(C1)[*:1] CC[C@@](C)([C@@H](O)[*:1])[NH+]1CCCCC1
Cc1ccc(NC(=O)C2=CN(C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)N=C23)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)C1=CN(C)[C@@H]2C(=O)N(C[*:1])C(=O)N=C12
Cc1ccc(NC(=O)C2=CN(C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)N=C23)cc1Cl c1ccc(cc1)C[*:1] Cc1ccc(cc1Cl)NC(=O)C1=CN(C)[C@@H]2C(=O)N(C(=O)N=C12)[*:1]
Cc1ccc(NC(=O)C2=CN(C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)N=C23)cc1Cl Cc1ccc(cc1Cl)[*:1] CN1C=C(C(=O)N[*:1])C2=NC(=O)N(Cc3ccccc3)C(=O)[C@H]21
O=C(c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(c1cn(cc2-c1nn(-c1ccccc1)c2=O)C[C@@H]1CCCO1)N1CCN(CC1)C(=O)[*:1]
O=C(c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCN(C(=O)C2CC2)CC1 c1ccc(cc1)[*:1] O=C(c1cn(cc2-c1nn(c2=O)[*:1])C[C@@H]1CCCO1)N1CCN(CC1)C(=O)C1CC1
C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 CC(C)(C)OC(=O)NC[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)CNC(=O)O[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 CC(C)(C)OC(=O)N[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)C[*:1]
COc1ccccc1CNCc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] COc1ccccc1CNCc1nc(cs1)[*:1]
COc1ccc(-n2ncc3c(O)nc(SCC(=O)Nc4cc(C)ccc4C)nc32)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nc(O)c2cnn(c2n1)[*:1]
COc1ccc(-n2ncc3c(O)nc(SCC(=O)Nc4cc(C)ccc4C)nc32)cc1 Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1)-n1ncc2c(O)nc(nc21)SCC(=O)N[*:1]
O=C1[C@H]2C3c4ccccc4C(/C=N/c4nccs4)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2C3c4ccccc4C(/C=N/c4nccs4)(c4ccccc43)[C@H]2C(=O)N1[*:1]
O=C1[C@H]2C3c4ccccc4C(/C=N/c4nccs4)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1 c1csc(n1)[*:1] O=C1[C@H]2C3c4ccccc4C(C=N[*:1])(c4ccccc43)[C@H]2C(=O)N1c1ccccc1
CC(C)Oc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(cn1)C(=O)N1CCC[C@H]1[C@@H](C#N)[*:1]
CC(C)Oc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 CC(C)[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(nc1)O[*:1]
CC(C)Oc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 CC(C)O[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(nc1)[*:1]
COc1ccc([C@H](C)NCc2cccc(N(C)C)[nH+]2)cc1F CN(C)[*:1] COc1ccc(cc1F)[C@H](C)NCc1cccc([nH+]1)[*:1]
C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C(=O)NCc1ccccc1 Cc1ccc(cc1)[*:1] C/C(CC(=O)N[*:1])=N\NC(=O)C(=O)NCc1ccccc1
C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C(=O)NC[*:1]
C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C(=O)N[*:1]
CCCN1CCN(S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)CC1 CCC[*:1] CN1C(=O)C(=C2CCCC2)c2cc(ccc21)S(=O)(=O)N1CCN(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 CNC(=O)C[*:1] O=C(Nc1cc(Cl)ccc1Cl)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 CNC(=O)[*:1] O=C(Nc1cc(Cl)ccc1Cl)N1CCC(CC1)C[*:1]
COc1ccc([C@@H]2[C@H](C(=O)N3CCOCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H]1[C@H](C(=O)N2CCOCC2)c2ccccc2C(=O)N1[*:1]
COc1ccc([C@@H]2[C@H](C(=O)N3CCOCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1[C@H](C(=O)N2CCOCC2)c2ccccc2C(=O)N1C[*:1]
COc1ccc([C@@H]2[C@H](C(=O)N3CCOCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)[C@@H]1[C@H](c2ccccc2C(=O)N1Cc1ccc(F)cc1)[*:1]
COc1ccc([C@@H]2[C@H](C(=O)N3CCOCC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C([C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1[*:1])N1CCOCC1
C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H](C)n1cccn1 N#Cc1ccsc1[*:1] C[C@H]([NH2+]CCC(=O)N[*:1])[C@H](C)n1cccn1
C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H](C)n1cccn1 C[C@H](n1cccn1)[*:1] C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[*:1]
C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H](C)n1cccn1 c1cnn(c1)[*:1] C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H](C)[*:1]
COc1ccc([C@H](C)N(C)C(=O)NCC(C2CC2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)NCC(C1CC1)[*:1]
COc1ccc([C@H](C)N(C)C(=O)NCC(C2CC2)C2CC2)cc1 C1CC1C(C1CC1)[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)NC[*:1]
FC(F)Sc1ccccc1 FC(F)[*:1] c1ccc(cc1)S[*:1]
[NH3+]CCOCC(=O)Nc1ccc(SC(F)F)cc1 [NH3+]CCOC[*:1] O=C(Nc1ccc(cc1)SC(F)F)[*:1]
[NH3+]CCOCC(=O)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] [NH3+]CCOCC(=O)Nc1ccc(cc1)[*:1]
[NH3+]CCOCC(=O)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] [NH3+]CCOCC(=O)Nc1ccc(cc1)S[*:1]
CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] CC(=O)N1CCN(CC1)CC(=O)Nc1ccccc1[*:1]
C[C@H](Sc1ccccc1Cl)C(=O)N(C)CC(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](Sc1ccccc1Cl)C(=O)N(C)C[*:1]
C[C@H](Sc1ccccc1Cl)C(=O)N(C)CC(=O)N(C)C CN(C)C(=O)C[*:1] C[C@H](Sc1ccccc1Cl)C(=O)N(C)[*:1]
O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(NCCc1ccc(cc1)-n1cccn1)c1ccc(cc1)O[*:1]
O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(NCCc1ccc(cc1)-n1cccn1)c1ccc(cc1)[*:1]
O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(OC(F)F)cc1 c1cnn(c1)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1ccc(cc1)OC(F)F
COCCCc1nc(-c2ccc(OC)cc2OC)cs1 COC[*:1] COc1ccc(-c2csc(CC[*:1])n2)c(c1)OC
COCCCc1nc(-c2ccc(OC)cc2OC)cs1 COCCC[*:1] COc1ccc(-c2csc(n2)[*:1])c(c1)OC
COCCCc1nc(-c2ccc(OC)cc2OC)cs1 COCC[*:1] COc1ccc(-c2csc(C[*:1])n2)c(c1)OC
CCOCc1ccc(CNC(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 NC(=O)[*:1] CCOCc1ccc(cc1)CNC(=O)Nc1ccc(c(Cl)c1)[*:1]
CCOCc1ccc(CNC(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 CCO[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)NCc1ccc(cc1)C[*:1]
CCOCc1ccc(CNC(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 CCOC[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)NCc1ccc(cc1)[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(F)c3)C2)c1 Cc1cc(C)cc(c1)[*:1] O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(F)c3)C2)c1 Fc1ccc(cc1F)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1noc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2cccc(Cl)c2)c1C Cc1noc(c1C)[*:1] O=C(Cc1cccc(Cl)c1)N1CCC[C@@H]1c1n[nH]cc1[*:1]
Cc1noc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2cccc(Cl)c2)c1C Clc1cccc(c1)[*:1] Cc1noc(-c2c[nH]nc2[C@H]2CCCN2C(=O)C[*:1])c1C
Cc1noc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2cccc(Cl)c2)c1C Clc1cccc(c1)C[*:1] Cc1noc(-c2c[nH]nc2[C@H]2CCCN2C(=O)[*:1])c1C
CC(C)c1nnc(NC(=O)[C@H](C)Sc2nc3ccccc3s2)s1 CC(C)[*:1] C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(s1)[*:1]
COc1ncccc1CNC(=O)N(C)Cc1sccc1C Cc1ccsc1C[*:1] COc1ncccc1CNC(=O)N(C)[*:1]
COc1ncccc1CNC(=O)N(C)Cc1sccc1C Cc1ccsc1[*:1] COc1ncccc1CNC(=O)N(C)C[*:1]
Cc1ccc(-c2csc3ncn(CCC(=O)N[C@@H]4CCS(=O)(=O)C4)c(=O)c23)cc1 Cc1ccc(cc1)[*:1] O=C(CCn1cnc2scc(c2c1=O)[*:1])N[C@@H]1CCS(=O)(=O)C1
CCOC(=O)[C@H](Cc1ccccc1)c1ncnn1CC CCOC(=O)[*:1] CCn1ncnc1[C@@H](Cc1ccccc1)[*:1]
CCOC(=O)[C@H](Cc1ccccc1)c1ncnn1CC c1ccc(cc1)[*:1] CCOC(=O)[C@H](C[*:1])c1ncnn1CC
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C(OC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)NC1CCCC1 O=C(C[*:1])NC1CCCC1 O=C(O[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)NC1CCCC1 c1cc2OCCOc2cc1[*:1] O=C(COC(=O)C1CCN(CC1)S(=O)(=O)[*:1])NC1CCCC1
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)NC1CCCC1 C1CCC(C1)[*:1] O=C(COC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1)N[*:1]
CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4ccc(Cl)cc4F)c(C)c23)CC1 Fc1cc(Cl)ccc1[*:1] CCC[NH+]1CCN(CC1)c1ncnc2sc(C(=O)N[*:1])c(C)c12
CCC[C@@H](N[C@@H]1CCN(C(C)C)C1=O)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](N[C@@H]1CCN(C1=O)C(C)C)[*:1]
CCC[C@@H](N[C@@H]1CCN(C(C)C)C1=O)c1ccccc1 CCC[*:1] CC(C)N1CC[C@@H](N[C@@H](c2ccccc2)[*:1])C1=O
CCC[C@@H](N[C@@H]1CCN(C(C)C)C1=O)c1ccccc1 CC(C)[*:1] CCC[C@@H](N[C@@H]1CCN(C1=O)[*:1])c1ccccc1
Cc1c(C(=O)Nc2cn(C)nc2-c2ccccc2)sc2nccn12 c1ccc(cc1)[*:1] Cc1c(sc2nccn12)C(=O)Nc1cn(C)nc1[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O)[*:1]
CC[n+]1c(N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 C[C@@H](c1ccccc1)[*:1] CC[n+]1c(N)c(cc2c(=O)n3cc(C)ccc3nc21)C(=O)N[*:1]
CC[n+]1c(N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 c1ccc(cc1)[*:1] CC[n+]1c(N)c(cc2c(=O)n3cc(C)ccc3nc21)C(=O)N[C@@H](C)[*:1]
COc1cccc([C@H](C)CC(=O)O[C@@H]2CC[C@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] COc1cccc(c1)[C@H](C)CC(=O)O[C@@H]1CC[C@H](C1)[*:1]
CCN(Cc1ccccc1NCC(=O)N1CCNC1=O)C(C)=O CCN(C(C)=O)[*:1] O=C(CNc1ccccc1C[*:1])N1CCNC1=O
CCN(Cc1ccccc1NCC(=O)N1CCNC1=O)C(C)=O CCN(C[*:1])C(C)=O O=C(CNc1ccccc1[*:1])N1CCNC1=O
N#Cc1ccc(CNC(=O)CCOC2CCOCC2)cc1 C1CC(CCO1)[*:1] N#Cc1ccc(cc1)CNC(=O)CCO[*:1]
N#Cc1ccc(CNC(=O)CCOC2CCOCC2)cc1 C1CC(CCO1)O[*:1] N#Cc1ccc(cc1)CNC(=O)CC[*:1]
CC(C)COC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1 CC(C)COC(=O)N[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1cccc(c1)[*:1]
CC(C)COC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1 CC(C)C[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1cccc(c1)NC(=O)O[*:1]
CC(C)COC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1 CC(C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)Nc1cccc(c1)NC(=O)OC[*:1]
CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cccs1 c1csc(c1)C[*:1] CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][*:1]
CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cccs1 c1csc(c1)[*:1] CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[*:1]
N#Cc1cccnc1N1CC[NH+](Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 N#Cc1cccnc1[*:1] O=c1nc(C[NH+]2CCN(CC2)[*:1])[nH]c2scc(-c3cccs3)c12
N#Cc1cccnc1N1CC[NH+](Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 c1csc(c1)[*:1] N#Cc1cccnc1N1CC[NH+](CC1)Cc1nc(=O)c2c(csc2[nH]1)[*:1]
COc1ccccc1CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F COc1ccccc1C[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)N[*:1]
COc1ccccc1CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F COc1ccccc1[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)NC[*:1]
COc1ccccc1CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F Fc1ccccc1[*:1] COc1ccccc1CNC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
O=C(c1cccc2ccccc12)[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 c1cnc2cc(ccc2n1)[*:1] O=C(c1cccc2ccccc12)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(c1cccc2ccccc12)[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 c1ccc2c(cccc2c1)[*:1] O=C(c1ccc2nccnc2c1)N1CCC[C@H](C1)C(=O)[*:1]
Cn1nccc1NC(=O)Cn1ccc(-c2ccccc2F)n1 Cn1nccc1[*:1] O=C(Cn1ccc(n1)-c1ccccc1F)N[*:1]
Cn1nccc1NC(=O)Cn1ccc(-c2ccccc2F)n1 Fc1ccccc1[*:1] Cn1nccc1NC(=O)Cn1ccc(n1)[*:1]
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)COC2 Brc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc2COCc2c1
CC(=O)Nc1cc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C)ccc1F CC(=O)N[*:1] C[C@@H]1CCN([C@H](C)C1)S(=O)(=O)c1ccc(F)c(c1)[*:1]
C[C@H](CCO)Sc1ccc2cc([N+](=O)[O-])ccc2n1 C[C@H](CCO)[*:1] O=[N+]([O-])c1ccc2nc(ccc2c1)S[*:1]
C[C@H](CCO)Sc1ccc2cc([N+](=O)[O-])ccc2n1 O=[N+]([O-])[*:1] C[C@H](CCO)Sc1ccc2cc(ccc2n1)[*:1]
C[C@H](CCO)Sc1ccc2cc([N+](=O)[O-])ccc2n1 OCC[*:1] C[C@H](Sc1ccc2cc(ccc2n1)[N+](=O)[O-])[*:1]
C[C@H](CCO)Sc1ccc2cc([N+](=O)[O-])ccc2n1 C[C@H](CCO)S[*:1] O=[N+]([O-])c1ccc2nc(ccc2c1)[*:1]
CSc1ncccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 CSc1ncccc1[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)[*:1]
CSc1ncccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CSc1ncccc1C(=O)N1CCC(CC1)C(=O)N[*:1]
COc1cccc2c(C)c(C(=O)NC[C@](C)(O)CCC(C)C)oc12 CC(C)CC[*:1] COc1cccc2c(C)c(oc12)C(=O)NC[C@](C)(O)[*:1]
COc1cccc2c(C)c(C(=O)NC[C@](C)(O)CCC(C)C)oc12 CC(C)C[*:1] COc1cccc2c(C)c(oc12)C(=O)NC[C@](C)(O)C[*:1]
COc1cccc2c(C)c(C(=O)NC[C@](C)(O)CCC(C)C)oc12 CC(C)[*:1] COc1cccc2c(C)c(oc12)C(=O)NC[C@](C)(O)CC[*:1]
CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C Cc1c(Cl)cccc1[*:1] CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccncc2)n1[*:1]
CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C c1cc(ccn1)[*:1] CC[C@H]1CCCCN1C(=O)CSc1nnc(n1-c1cccc(Cl)c1C)[*:1]
COc1cccc(C2=C3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2)c1OC c1ccc(cc1)C[*:1] COc1cccc(C2NO[C@@H]3C(=O)N(C(=O)C=23)[*:1])c1OC
COc1cccc(C2=C3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2)c1OC c1ccc(cc1)[*:1] COc1cccc(C2NO[C@@H]3C(=O)N(C[*:1])C(=O)C=23)c1OC
COC[C@@H](C)C(=O)NCc1ccnc(OC2CCC2)c1 COC[C@@H](C)[*:1] O=C(NCc1ccnc(c1)OC1CCC1)[*:1]
COC[C@@H](C)C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] COC[C@@H](C)C(=O)NCc1ccnc(c1)O[*:1]
COC[C@@H](C)C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] COC[C@@H](C)C(=O)NCc1ccnc(c1)[*:1]
COC[C@@H](C)C(=O)NCc1ccnc(OC2CCC2)c1 COC[*:1] C[C@@H](C(=O)NCc1ccnc(c1)OC1CCC1)[*:1]
CC(=O)[C@H]1[C@H](c2ccccc2)/C(=C(/C)[O-])C(=O)C[C@]1(C)O c1ccc(cc1)[*:1] CC(=O)[C@H]1[C@H](/C(C(=O)C[C@]1(C)O)=C(/C)[O-])[*:1]
CC(=O)[C@H]1[C@H](c2ccccc2)/C(=C(/C)[O-])C(=O)C[C@]1(C)O CC(=O)[*:1] C/C([O-])=C1\C(=O)C[C@](C)(O)[C@H]([C@@H]1c1ccccc1)[*:1]
C[S@](=O)c1ccc(C[NH2+]CC2CC2)cc1 C1CC1C[*:1] C[S@](=O)c1ccc(cc1)C[NH2+][*:1]
C[S@](=O)c1ccc(C[NH2+]CC2CC2)cc1 C[S@](=O)[*:1] c1cc(ccc1C[NH2+]CC1CC1)[*:1]
C[S@](=O)c1ccc(C[NH2+]CC2CC2)cc1 C1CC1[*:1] C[S@](=O)c1ccc(cc1)C[NH2+]C[*:1]
C/C(=N\NC(=O)[C@H]1C=C(c2ccccc2)N=N1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CC(=NNC(=O)[C@H]1C=C(N=N1)c1ccccc1)[*:1]
C/C(=N\NC(=O)[C@H]1C=C(c2ccccc2)N=N1)c1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] C/C(=N\NC(=O)[C@H]1C=C(N=N1)[*:1])c1ccc(Cl)c(Cl)c1
O=C(N[C@H]1CCC[C@H]2OCC[C@H]12)C1(c2ccc(F)cc2F)CCOCC1 Fc1ccc(c(F)c1)[*:1] O=C(N[C@H]1CCC[C@H]2OCC[C@H]12)C1(CCOCC1)[*:1]
C[S@@](=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2F)cc1 C[S@@](=O)[*:1] Fc1ccc(Br)cc1C[NH2+]Cc1ccc(cc1)[*:1]
N#C[C@@H]1COCCN1CC(=O)NCCCc1ccccc1 c1ccc(cc1)C[*:1] N#C[C@@H]1COCCN1CC(=O)NCC[*:1]
N#C[C@@H]1COCCN1CC(=O)NCCCc1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1COCCN1CC(=O)NCCC[*:1]
Cc1cccc2c(CCNC(=O)NCCc3ccccn3)c[nH]c12 c1ccc(CC[*:1])nc1 Cc1cccc2c(c[nH]c12)CCNC(=O)N[*:1]
Cc1cccc2c(CCNC(=O)NCCc3ccccn3)c[nH]c12 c1ccc(C[*:1])nc1 Cc1cccc2c(c[nH]c12)CCNC(=O)NC[*:1]
Cc1cccc2c(CCNC(=O)NCCc3ccccn3)c[nH]c12 c1ccc(nc1)[*:1] Cc1cccc2c(c[nH]c12)CCNC(=O)NCC[*:1]
CCC[C@@H](C#N)NC(=O)c1c(C)nn(CCCl)c1C CCC[C@@H](C#N)[*:1] Cc1nn(CCCl)c(C)c1C(=O)N[*:1]
CCC[C@@H](C#N)NC(=O)c1c(C)nn(CCCl)c1C ClCC[*:1] CCC[C@@H](C#N)NC(=O)c1c(C)nn(c1C)[*:1]
CCC[C@@H](C#N)NC(=O)c1c(C)nn(CCCl)c1C CCC[*:1] Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C#N)[*:1]
Cc1cc(C)n(CCN2CCO[C@H](c3nc(C)n[nH]3)C2)n1 Cc1cc(C)n(n1)[*:1] Cc1n[nH]c(n1)[C@@H]1CN(CCO1)CC[*:1]
Cc1cc(C)n(CCN2CCO[C@H](c3nc(C)n[nH]3)C2)n1 Cc1n[nH]c(n1)[*:1] Cc1cc(C)n(CCN2CCO[C@H](C2)[*:1])n1
O=C(/C=C/c1nc2ccccc2s1)Nc1cc(C(F)(F)F)c[nH]c1=O FC(F)(F)[*:1] O=C(/C=C/c1nc2ccccc2s1)Nc1cc(c[nH]c1=O)[*:1]
NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 c1ccc(cc1)[*:1] NC(=O)c1cc(sc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)[*:1]
NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 NC(=O)[*:1] O=C(Nc1sc(cc1[*:1])-c1ccccc1)c1ccc(cc1)S(=O)(=O)N1CCCCCC1
NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 O=S(=O)(N1CCCCCC1)[*:1] NC(=O)c1cc(sc1NC(=O)c1ccc(cc1)[*:1])-c1ccccc1
CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccc(C)cc2)c2c(c1=O)CCCC2 Cc1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccc2OCCOc2c1)n1nc(c2CCCCc2c1=O)[*:1]
CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)n1nc(-c2ccc(C)cc2)c2c(c1=O)CCCC2 c1cc2OCCOc2cc1[*:1] CC[C@@H](C(=O)N[*:1])n1nc(-c2ccc(C)cc2)c2CCCCc2c1=O
O=C(Cc1ccccc1)Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1c2C[S@@](=O)Cc2nn1-c1ccccc1
O=C(Cc1ccccc1)Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2 c1ccc(cc1)[*:1] O=C(Cc1ccccc1)Nc1c2C[S@@](=O)Cc2nn1[*:1]
O=C(Cc1ccccc1)Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2 c1ccc(cc1)C[*:1] O=C(Nc1c2C[S@@](=O)Cc2nn1-c1ccccc1)[*:1]
O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=C(C[C@H]1CCCCN1S(=O)(=O)[*:1])NCc1ccc(F)cc1
O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)N[*:1]
O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NC[*:1]
Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 Cc1ccccc1[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)[C@H](C)Sc1nncn1[*:1]
Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1ccc(C)c(c1)[*:1]
Cc1ccc(C)c(NC(=S)N(Cc2ccncc2)C2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1ccc(C)c(c1)NC(=S)N(Cc1ccncc1)[*:1]
Cc1ccc(C)c(NC(=S)N(Cc2ccncc2)C2CCCCC2)c1 Cc1ccc(C)c(c1)[*:1] S=C(N[*:1])N(Cc1ccncc1)C1CCCCC1
Cc1ccc(C)c(NC(=S)N(Cc2ccncc2)C2CCCCC2)c1 c1cc(ccn1)C[*:1] Cc1ccc(C)c(c1)NC(=S)N(C1CCCCC1)[*:1]
Cc1ccc(C)c(NC(=S)N(Cc2ccncc2)C2CCCCC2)c1 c1cc(ccn1)[*:1] Cc1ccc(C)c(c1)NC(=S)N(C[*:1])C1CCCCC1
COC(=O)[C@@H](NC(=O)c1cc(C)nn1C)c1ccc(F)cc1F Cc1cc(n(C)n1)[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(F)cc1F
COC(=O)[C@@H](NC(=O)c1cc(C)nn1C)c1ccc(F)cc1F COC(=O)[*:1] Cc1cc(C(=O)N[C@@H](c2ccc(F)cc2F)[*:1])n(C)n1
CC(=O)Nc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1 CC(=O)N[*:1] O=C(CSc1nnc(s1)[*:1])Nc1ccc(F)cc1F
CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)CCC3)s1 CCc1ccc(s1)[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@@H]1[*:1])c1cc(Cl)cc(Cl)c1
CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)CCC3)s1 Clc1cc(Cl)cc(c1)[*:1] CCc1ccc(s1)[C@@H]1C(C#N)=C(N)N(C2CCCC(=O)C=21)[*:1]
CCc1nc(CC(=O)Nc2ccnn2C2CC[NH+](CC)CC2)cs1 CCc1nc(cs1)C[*:1] CC[NH+]1CCC(CC1)n1nccc1NC(=O)[*:1]
CCc1nc(CC(=O)Nc2ccnn2C2CC[NH+](CC)CC2)cs1 CCc1nc(cs1)[*:1] CC[NH+]1CCC(CC1)n1nccc1NC(=O)C[*:1]
CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1Cl CCNC(=O)[*:1] CCOc1ccc(cc1)NS(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1Cl CCO[*:1] CCNC(=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] Cc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1[*:1]
Cc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1Cc1cccc(Cl)c1 Cc1ccccc1C[*:1] C[C@@]1(Cc2ccccc2C(=O)N1Cc1cccc(Cl)c1)C(=O)N[*:1]
Cc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1C[*:1]
Cc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1Cc1cccc(Cl)c1 Cc1ccccc1[*:1] C[C@@]1(Cc2ccccc2C(=O)N1Cc1cccc(Cl)c1)C(=O)NC[*:1]
CCN(c1cccc(C)c1)c1nc(OCC(=O)[O-])cc(-c2ccc(C)cc2)n1 O=C([O-])[*:1] CCN(c1cccc(C)c1)c1nc(cc(n1)-c1ccc(C)cc1)OC[*:1]
CCN(c1cccc(C)c1)c1nc(OCC(=O)[O-])cc(-c2ccc(C)cc2)n1 O=C([O-])CO[*:1] CCN(c1cccc(C)c1)c1nc(cc(n1)[*:1])-c1ccc(C)cc1
CCN(c1cccc(C)c1)c1nc(OCC(=O)[O-])cc(-c2ccc(C)cc2)n1 O=C([O-])C[*:1] CCN(c1cccc(C)c1)c1nc(cc(n1)-c1ccc(C)cc1)O[*:1]
CCN(c1cccc(C)c1)c1nc(OCC(=O)[O-])cc(-c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCN(c1cccc(C)c1)c1nc(cc(n1)[*:1])OCC(=O)[O-]
CCN(c1cccc(C)c1)c1nc(OCC(=O)[O-])cc(-c2ccc(C)cc2)n1 Cc1cccc(c1)[*:1] CCN(c1nc(cc(n1)-c1ccc(C)cc1)OCC(=O)[O-])[*:1]
O=C(Cc1ccc(-n2cccc2)cc1)NCc1csc(C2CC2)n1 c1sc(nc1[*:1])C1CC1 O=C(Cc1ccc(cc1)-n1cccc1)NC[*:1]
O=C(Cc1ccc(-n2cccc2)cc1)NCc1csc(C2CC2)n1 c1ccn(c1)[*:1] O=C(Cc1ccc(cc1)[*:1])NCc1csc(n1)C1CC1
O=C(Cc1ccc(-n2cccc2)cc1)NCc1csc(C2CC2)n1 C1CC1[*:1] O=C(Cc1ccc(cc1)-n1cccc1)NCc1csc(n1)[*:1]
CC1(C)CC(=O)C(/C=N/c2ccccc2N2CCCCC2)=C([O-])C1 C1CCN(CC1)[*:1] CC1(C)CC(=O)C(/C=N/c2ccccc2[*:1])=C([O-])C1
C[C@H]1[NH2+]CC[C@@H]1CN(C)Cc1ccsc1 c1cc(cs1)[*:1] C[C@H]1[NH2+]CC[C@@H]1CN(C)C[*:1]
CCC[NH2+][C@](C)(CO)CSc1ccncc1 CCC[*:1] C[C@@](CO)(CSc1ccncc1)[NH2+][*:1]
CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NCC(N)=O)cc1 NC(=O)[*:1] CCc1ccc(cc1)-c1nn(cc1C(=O)NC[*:1])-c1ccccc1C
CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NCC(N)=O)cc1 NC(=O)C[*:1] CCc1ccc(cc1)-c1nn(cc1C(=O)N[*:1])-c1ccccc1C
CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NCC(N)=O)cc1 CCc1ccc(cc1)[*:1] Cc1ccccc1-n1cc(C(=O)NCC(N)=O)c(n1)[*:1]
CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NCC(N)=O)cc1 NC(=O)CNC(=O)[*:1] CCc1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1C
CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NCC(N)=O)cc1 Cc1ccccc1[*:1] CCc1ccc(cc1)-c1nn(cc1C(=O)NCC(N)=O)[*:1]
C[C@H](SCc1ccccc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 c1ccc(cc1)CS[*:1] C[C@H](C(=O)Nc1cccc(c1)C(=O)NC(C)(C)C)[*:1]
C[C@H](SCc1ccccc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] C[C@H](SCc1ccccc1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
C[C@H](SCc1ccccc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 c1ccc(cc1)[*:1] C[C@H](SC[*:1])C(=O)Nc1cccc(c1)C(=O)NC(C)(C)C
C[C@H](SCc1ccccc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)(C)NC(=O)[*:1] C[C@H](SCc1ccccc1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](SCc1ccccc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 c1ccc(cc1)C[*:1] C[C@H](S[*:1])C(=O)Nc1cccc(c1)C(=O)NC(C)(C)C
C[C@H](CCc1cccn1C)NC(=O)NC1(c2ccccc2F)CC1 Cn1cccc1[*:1] C[C@H](CC[*:1])NC(=O)NC1(CC1)c1ccccc1F
C[C@H](CCc1cccn1C)NC(=O)NC1(c2ccccc2F)CC1 Fc1ccccc1[*:1] C[C@H](CCc1cccn1C)NC(=O)NC1(CC1)[*:1]
C[C@H](CCc1cccn1C)NC(=O)NC1(c2ccccc2F)CC1 Cn1cccc1CC[*:1] C[C@H](NC(=O)NC1(CC1)c1ccccc1F)[*:1]
C[C@H](CCc1cccn1C)NC(=O)NC1(c2ccccc2F)CC1 Cn1cccc1C[*:1] C[C@H](C[*:1])NC(=O)NC1(CC1)c1ccccc1F
Cc1nc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1Br Cc1nc(ccc1Br)[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)N[*:1]
CCN(C)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F CCN(C)C(=O)[*:1] FC(F)(F)Oc1ccccc1[C@@H]1C[C@@H]1[*:1]
CCN(C)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)[*:1] CCN(C)C(=O)[C@H]1C[C@H]1c1ccccc1O[*:1]
CCN(C)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] CCN(C)C(=O)[C@H]1C[C@H]1c1ccccc1[*:1]
[NH3+][C@@]1(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])CCOC1 O=C([O-])[*:1] [NH3+][C@]1(CCOC1)C(=O)N[C@H]1CCCCC[C@@H]1[*:1]
Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)n(C)n1 FC(F)(F)C[*:1] Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C2)[*:1])n(C)n1
Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[C@@H]1CCN(C1)CC(F)(F)F)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)n(C)n1 FC(F)(F)[*:1] Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C2)C[*:1])n(C)n1
CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cccnc1Cl CC(C)[*:1] C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1[*:1])c1cccnc1Cl
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NC(=O)c1ccc(o1)S(=O)(=O)N(C)C)[*:1]
C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(=O)[O-] CN(C)S(=O)(=O)[*:1] C[C@@H](NC(=O)c1ccc(o1)[*:1])C(=O)[O-]
CC[C@H](C)N(CC(=O)[O-])C(=O)N(C)[C@@H](C)Cc1cccs1 O=C([O-])[*:1] CC[C@H](C)N(C[*:1])C(=O)N(C)[C@@H](C)Cc1cccs1
CC[C@H](C)N(CC(=O)[O-])C(=O)N(C)[C@@H](C)Cc1cccs1 CC[C@H](C)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)N(CC(=O)[O-])[*:1]
CC[C@H](C)N(CC(=O)[O-])C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] CC[C@H](C)N(CC(=O)[O-])C(=O)N(C)[C@@H](C)C[*:1]
CC[C@H](C)N(CC(=O)[O-])C(=O)N(C)[C@@H](C)Cc1cccs1 O=C([O-])C[*:1] CC[C@H](C)N(C(=O)N(C)[C@@H](C)Cc1cccs1)[*:1]
CC[C@H](C)N(CC(=O)[O-])C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] CC[C@H](C)N(CC(=O)[O-])C(=O)N(C)[C@@H](C)[*:1]
C=C(Cl)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 C=C(Cl)[*:1] c1ccc2c(c[nH]c2c1)-c1nnc(SC[*:1])n1C1CC1
C=C(Cl)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 C1CC1[*:1] C=C(Cl)CSc1nnc(-c2c[nH]c3ccccc23)n1[*:1]
C=C(Cl)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 C=C(Cl)CS[*:1] c1ccc2c(c[nH]c2c1)-c1nnc(n1C1CC1)[*:1]
C=C(Cl)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 C=C(Cl)C[*:1] c1ccc2c(c[nH]c2c1)-c1nnc(S[*:1])n1C1CC1
c1csc([C@@H]([NH2+][C@H]2CCc3[nH]ncc3C2)C2CC2)c1 C1CC1[*:1] c1csc(c1)[C@@H]([NH2+][C@H]1CCc2[nH]ncc2C1)[*:1]
c1csc([C@@H]([NH2+][C@H]2CCc3[nH]ncc3C2)C2CC2)c1 c1csc(c1)[*:1] c1n[nH]c2CC[C@@H](Cc12)[NH2+][C@@H](C1CC1)[*:1]
O=C(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 C1CC1[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])C(=O)N[C@H]1C[C@@H]1C1CCCCC1
O=C(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccc(cc1)C(=O)NC1CC1)C(=O)N[C@H]1C[C@H]1[*:1]
O=C(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 O=C(NC1CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N[C@H]1C[C@@H]1C1CCCCC1
CN1CCO[C@H](C(=O)Nc2cn[nH]c2)C1 c1n[nH]cc1[*:1] CN1CCO[C@@H](C1)C(=O)N[*:1]
Cc1cc(NC(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c2ncccc2c1 CC(C)[*:1] Cc1cc(NC(=O)N[C@H](c2nc(no2)-c2nc[nH]n2)[*:1])c2ncccc2c1
COc1cc(OC)cc([C@@H](NC(=O)Cn2ccccc2=O)c2nccn2C)c1 O=c1ccccn1C[*:1] COc1cc(cc(c1)[C@@H](NC(=O)[*:1])c1nccn1C)OC
COc1cc(OC)cc([C@@H](NC(=O)Cn2ccccc2=O)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cc(cc(c1)[C@@H](NC(=O)Cn1ccccc1=O)[*:1])OC
COc1cc(OC)cc([C@@H](NC(=O)Cn2ccccc2=O)c2nccn2C)c1 O=c1ccccn1[*:1] COc1cc(cc(c1)[C@@H](NC(=O)C[*:1])c1nccn1C)OC
CCCNC(=O)CCNc1cc(C)c([N+](=O)[O-])cc1Cl CCC[*:1] Cc1cc(NCCC(=O)N[*:1])c(Cl)cc1[N+](=O)[O-]
CCCNC(=O)CCNc1cc(C)c([N+](=O)[O-])cc1Cl CCCNC(=O)[*:1] Cc1cc(NCC[*:1])c(Cl)cc1[N+](=O)[O-]
CCCNC(=O)CCNc1cc(C)c([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CCCNC(=O)CCNc1cc(C)c(cc1Cl)[*:1]
CCc1ccc(OC/C=C/CS)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCc1ccc(OC/C=C/CS)c(c1)[*:1]
CCc1ccc(OC/C=C/CS)c([N+](=O)[O-])c1 SC/C=C/C[*:1] CCc1ccc(O[*:1])c(c1)[N+](=O)[O-]
CCc1ccc(OC/C=C/CS)c([N+](=O)[O-])c1 SCC=C[*:1] CCc1ccc(OC[*:1])c(c1)[N+](=O)[O-]
CCC(CC)NC(=O)N1CCn2cccc2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)NC(=O)N1CCn2cccc2[C@@H]1[*:1]
CCC(CC)NC(=O)N1CCn2cccc2[C@H]1c1ccccc1 CCC(CC)[*:1] O=C(N[*:1])N1CCn2cccc2[C@H]1c1ccccc1
Cc1sc(Br)cc1S(=O)(=O)NCC1CCOCC1 C1CC(CCO1)[*:1] Cc1sc(Br)cc1S(=O)(=O)NC[*:1]
C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCn1ccccc1=O O=c1ccccn1C[*:1] C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[*:1]
C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCn1ccccc1=O O=c1ccccn1[*:1] C[C@H](c1cc2ccccc2o1)N(C)C(=O)CC[*:1]
CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O CC[C@H](C)[*:1] Cc1cc(C)c2NC(=O)[C@@]3(N[C@H](C)[C@H]4C(=O)N(C(=O)[C@H]43)[*:1])c2c1
CCCCNC(=O)/C(C#N)=C/c1cc(OC)c2c(c1)OCCO2 CCCCNC(=O)[*:1] COc1cc(C=C(C#N)[*:1])cc2OCCOc12
CCCCNC(=O)/C(C#N)=C/c1cc(OC)c2c(c1)OCCO2 CCC[*:1] COc1cc(/C=C(\C#N)C(=O)NC[*:1])cc2OCCOc12
CCCCNC(=O)/C(C#N)=C/c1cc(OC)c2c(c1)OCCO2 CCCC[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])cc2OCCOc12
Cn1cc(C(=O)NNc2cccc(C#N)c2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)NNc2cccc(C#N)c2)c(n1)[*:1]
Cn1cc(C(=O)NNc2cccc(C#N)c2)c(-c2ccccc2)n1 N#Cc1cccc(c1)[*:1] Cn1cc(C(=O)NN[*:1])c(n1)-c1ccccc1
CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)[O-] O=C([O-])[*:1] CCc1cc2c(cc(=O)oc2cc1OC[*:1])-c1ccccc1
CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)[O-] O=C([O-])C[*:1] CCc1cc2c(cc(=O)oc2cc1O[*:1])-c1ccccc1
CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)[O-] O=C([O-])CO[*:1] CCc1cc2c(cc(=O)oc2cc1[*:1])-c1ccccc1
CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)[O-] c1ccc(cc1)[*:1] CCc1cc2c(cc(=O)oc2cc1OCC(=O)[O-])[*:1]
Cc1cc2c(=O)n(C[C@H](O)c3cccc(Cl)c3)cnc2s1 Clc1cccc(c1)[*:1] Cc1cc2c(=O)n(cnc2s1)C[C@H](O)[*:1]
C[C@H]1CCC[C@H](N(C)C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)C1 C[C@H]1CCC[C@H](C1)[*:1] CN(C(=O)Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cc(C)ccc2C)NC(=O)N1 Clc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)[*:1])c1cc(C)ccc1C
CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cc(C)ccc2C)NC(=O)N1 Cc1ccc(C)c(c1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)c1ccc(Cl)cc1)[*:1]
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1ncnc2scc(-c3ccccc3)c12 c1ccc(cc1)[*:1] COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1ncnc2scc(c12)[*:1]
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1ncnc2scc(-c3ccccc3)c12 COC(=O)[*:1] O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1Cc2ccccc2C[C@@H]1[*:1]
CCc1ccc(C(=O)[C@@H](Br)CC(=O)[O-])cc1 O=C([O-])[*:1] CCc1ccc(cc1)C(=O)[C@@H](Br)C[*:1]
CC[C@@H](NC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)c1ccc(Br)cc1 CC(=O)N[*:1] CC[C@@H](NC(=O)c1cc(cc(c1)[*:1])NC(C)=O)c1ccc(Br)cc1
CC[C@@H](NC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1cc(cc(c1)NC(C)=O)NC(C)=O)[*:1]
Cc1ccc(N2NC(C(=O)Nc3ccccc3)=C3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1NC(C(=O)N[*:1])=C2C(=O)N(C(=O)[C@H]21)c1ccccc1
Cc1ccc(N2NC(C(=O)Nc3ccccc3)=C3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1 O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1)N1NC(=C2C(=O)N(C(=O)[C@H]21)c1ccccc1)[*:1]
Cc1ccc(N2NC(C(=O)Nc3ccccc3)=C3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1NC(C(=O)Nc2ccccc2)=C2C(=O)N(C(=O)[C@H]21)[*:1]
Cc1ccc(N2NC(C(=O)Nc3ccccc3)=C3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1)C1NN([C@@H]2C(=O)N(C(=O)C=12)c1ccccc1)[*:1]
CO[C@H]1CC[C@@H]2OCCN(Cc3c[nH]nc3-c3ccccc3F)[C@@H]2C1 Fc1ccccc1[*:1] CO[C@H]1CC[C@@H]2OCCN(Cc3c[nH]nc3[*:1])[C@@H]2C1
Cc1ccc(C)c(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1[nH]c(C(=O)N[*:1])c(C)c1C(=O)OC(C)C
Cc1ccc(C)c(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)NC(=O)c1[nH]c(C)c(C(=O)O[*:1])c1C
Cc1ccc(C)c(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)c1 CC(C)OC(=O)[*:1] Cc1ccc(C)c(c1)NC(=O)c1[nH]c(C)c(c1C)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)c1ccccc1SCc1cscn1 c1nc(cs1)CS[*:1] CN(C[C@@H](O)C1CC1)C(=O)c1ccccc1[*:1]
CN(C[C@@H](O)C1CC1)C(=O)c1ccccc1SCc1cscn1 c1nc(cs1)[*:1] CN(C[C@@H](O)C1CC1)C(=O)c1ccccc1SC[*:1]
CN(C[C@@H](O)C1CC1)C(=O)c1ccccc1SCc1cscn1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)c1ccccc1SCc1cscn1
CN(C[C@@H](O)C1CC1)C(=O)c1ccccc1SCc1cscn1 c1nc(cs1)C[*:1] CN(C[C@@H](O)C1CC1)C(=O)c1ccccc1S[*:1]
CC(=O)Nc1nc(C2CN(C(=O)C3CCC3)C2)cs1 C1CC(C1)[*:1] CC(=O)Nc1nc(cs1)C1CN(C1)C(=O)[*:1]
CC(=O)Nc1nc(C2CN(C(=O)C3CCC3)C2)cs1 CC(=O)N[*:1] O=C(C1CCC1)N1CC(C1)c1csc(n1)[*:1]
C[NH+](C)C[C@@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)C[C@@H](N[C@@H]1CCC[C@H]([NH3+])C1)[*:1]
CCS[C@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(C(C)C)C1=O CCS[*:1] CC(C)N1CC[C@@H](NC(=O)N[C@@H]2CCCC[C@@H]2[*:1])C1=O
CCS[C@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(C(C)C)C1=O CC(C)[*:1] CCS[C@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(C1=O)[*:1]
CCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCS(=O)(=O)N1CCN(CC1)C[*:1]
C=CCn1c(SCC(=O)N2CCS[C@H]2c2ccccc2F)nnc1[C@@H]1COc2ccccc2O1 Fc1ccccc1[*:1] C=CCn1c(nnc1[C@@H]1COc2ccccc2O1)SCC(=O)N1CCS[C@@H]1[*:1]
C=CCn1c(SCC(=O)N2CCS[C@H]2c2ccccc2F)nnc1[C@@H]1COc2ccccc2O1 c1ccc2O[C@@H](COc2c1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)N1CCS[C@H]1c1ccccc1F
C=CCn1c(SCC(=O)N2CCS[C@H]2c2ccccc2F)nnc1[C@@H]1COc2ccccc2O1 C=CC[*:1] O=C(CSc1nnc([C@@H]2COc3ccccc3O2)n1[*:1])N1CCS[C@H]1c1ccccc1F
CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1c2ccccc2C[C@H]1O c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)N[C@H]1c2ccccc2C[C@H]1O
CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1c2ccccc2C[C@H]1O c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1O)[*:1]
CCSc1nn2c(=O)cc(COc3ccc(CC)cc3)nc2s1 CCS[*:1] CCc1ccc(cc1)OCc1cc(=O)n2nc(sc2n1)[*:1]
CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 CC(C)[*:1] O=C(NNS(=O)(=O)c1ccc(cc1)[*:1])c1ccc2OCCOc2c1
COc1cc(OC)cc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)NC[C@H](O)[*:1])OC
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C(C)C)cccc3s2)cc1 c1ccc(nc1)[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)N(C[*:1])c1nc2c(cccc2s1)C(C)C
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C(C)C)cccc3s2)cc1 c1ccc(C[*:1])nc1 CCS(=O)(=O)c1ccc(cc1)C(=O)N(c1nc2c(cccc2s1)C(C)C)[*:1]
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C(C)C)cccc3s2)cc1 CCS(=O)(=O)c1ccc(cc1)[*:1] CC(C)c1cccc2sc(nc12)N(Cc1ccccn1)C(=O)[*:1]
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C(C)C)cccc3s2)cc1 CCS(=O)(=O)[*:1] CC(C)c1cccc2sc(nc12)N(Cc1ccccn1)C(=O)c1ccc(cc1)[*:1]
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C(C)C)cccc3s2)cc1 CC(C)[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccccn1)c1nc2c(cccc2s1)[*:1]
COC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S[C@H](C)C#N)nc2c1 c1ccc(cc1)[*:1] COC(=O)c1ccc2c(=O)n(CC[*:1])c(nc2c1)S[C@H](C)C#N
COC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S[C@H](C)C#N)nc2c1 c1ccc(cc1)CC[*:1] COC(=O)c1ccc2c(=O)n(c(nc2c1)S[C@H](C)C#N)[*:1]
COC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S[C@H](C)C#N)nc2c1 c1ccc(cc1)C[*:1] COC(=O)c1ccc2c(=O)n(C[*:1])c(nc2c1)S[C@H](C)C#N
COC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(S[C@H](C)C#N)nc2c1 COC(=O)[*:1] C[C@H](C#N)Sc1nc2cc(ccc2c(=O)n1CCc1ccccc1)[*:1]
O[C@H](C[C@@H]1CCCO1)[C@@H]1CCOC2(CCSCC2)C1 C1CO[C@@H](C1)[*:1] O[C@H](C[*:1])[C@@H]1CCOC2(CCSCC2)C1
O[C@H](C[C@@H]1CCCO1)[C@@H]1CCOC2(CCSCC2)C1 C1CO[C@@H](C1)C[*:1] O[C@H]([C@@H]1CCOC2(CCSCC2)C1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1[C@H](C)[NH2+]C[C@@H]1CC[C@H](C(N)=O)O1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](O1)C(N)=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1[C@H](C)[NH2+]C[C@@H]1CC[C@H](C(N)=O)O1 NC(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1[C@H](C)[NH2+]C[C@@H]1CC[C@H](O1)[*:1]
CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1csc(-c2ccco2)n1 FC(F)(F)[*:1] CN(Cc1cccc(c1)[*:1])C(=O)c1csc(n1)-c1ccco1
CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1csc(-c2ccco2)n1 c1coc(c1)[*:1] CN(Cc1cccc(c1)C(F)(F)F)C(=O)c1csc(n1)[*:1]
COCc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 COC[*:1] Fc1ccc(OC2CC[NH+](CC2)Cc2ccc(cc2)[*:1])c(F)c1
COCc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 Fc1ccc(c(F)c1)[*:1] COCc1ccc(cc1)C[NH+]1CCC(CC1)O[*:1]
Cc1ccc(N[C@H](C)C(=O)N2CCC(C)CC2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])N[C@H](C)C(=O)N1CCC(C)CC1
CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O c1ccc(cc1)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2C(=O)O[C@@H](Cc2c1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O Fc1cccc(Cl)c1C[*:1] CN(C(=O)c1ccc2C(=O)O[C@H](Cc2c1)c1ccccc1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)c1ccc2C(=O)O[C@H](Cc2c1)c1ccccc1
CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3[nH]ncc3c2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2[*:1])c(C)c1
CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3[nH]ncc3c2=O)cc1 CCO[*:1] Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(cc2)[*:1])c(C)c1
CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3[nH]ncc3c2=O)cc1 Cc1ccc(c(C)c1)[*:1] CCOc1ccc(cc1)-n1c(nc2[nH]ncc2c1=O)SCC(=O)N[*:1]
O=C(C=C1CCSCC1)NC[C@H]1CCCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(C=C1CCSCC1)NC[C@H]1CCCO[C@H]1[*:1]
C[C@H](CC#N)N(C)Cc1cc(F)cc(/C=C/C(=O)[O-])c1 N#CC[*:1] C[C@H](N(C)Cc1cc(F)cc(/C=C/C(=O)[O-])c1)[*:1]
C[C@H](CC#N)N(C)Cc1cc(F)cc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] C[C@H](CC#N)N(C)Cc1cc(F)cc(C=C[*:1])c1
C[C@H](CC#N)N(C)Cc1cc(F)cc(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] C[C@H](CC#N)N(C)Cc1cc(F)cc(c1)[*:1]
C[C@H](CC#N)N(C)Cc1cc(F)cc(/C=C/C(=O)[O-])c1 C[C@H](CC#N)[*:1] CN(Cc1cc(F)cc(/C=C/C(=O)[O-])c1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)/N=C(\[O-])c2coc3ccccc23)cc1 CC(=O)N[*:1] O=S(=O)(/N=C(\[O-])c1coc2ccccc12)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(-c2ncn(Cc3ccc(Br)cc3F)n2)cc1 O=[N+]([O-])[*:1] Fc1cc(Br)ccc1Cn1cnc(n1)-c1ccc(cc1)[*:1]
O=C([O-])Cc1c[nH]c2ccc(O)cc12 O=C([O-])C[*:1] Oc1ccc2[nH]cc(c2c1)[*:1]
O=C([O-])Cc1c[nH]c2ccc(O)cc12 O=C([O-])[*:1] Oc1ccc2[nH]cc(C[*:1])c2c1
Cc1ncsc1C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 Cc1ncsc1C[*:1] Clc1ccc2oc(nc2c1)C1CC[NH+](CC1)[*:1]
Cc1ncsc1C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 Cc1ncsc1[*:1] Clc1ccc2oc(nc2c1)C1CC[NH+](CC1)C[*:1]
CCCc1cc(O[C@@H]2CCOC3(CCC3)C2)c(C(=O)[O-])s1 CCC[*:1] O=C([O-])c1sc(cc1O[C@@H]1CCOC2(CCC2)C1)[*:1]
CCCc1cc(O[C@@H]2CCOC3(CCC3)C2)c(C(=O)[O-])s1 O=C([O-])[*:1] CCCc1cc(O[C@@H]2CCOC3(CCC3)C2)c(s1)[*:1]
COCc1nc(C2CCN(S(=O)(=O)c3cccnc3)CC2)no1 COC[*:1] O=S(=O)(c1cccnc1)N1CCC(CC1)c1noc(n1)[*:1]
COCc1nc(C2CCN(S(=O)(=O)c3cccnc3)CC2)no1 c1cncc(c1)[*:1] COCc1nc(no1)C1CCN(CC1)S(=O)(=O)[*:1]
C/C=C/c1ccc(OC(=O)COCC)c(OC)c1 CCO[*:1] C/C=C/c1ccc(OC(=O)C[*:1])c(c1)OC
C/C=C/c1ccc(OC(=O)COCC)c(OC)c1 CCOC[*:1] C/C=C/c1ccc(OC(=O)[*:1])c(c1)OC
C/C=C/c1ccc(OC(=O)COCC)c(OC)c1 CC=C[*:1] CCOCC(=O)Oc1ccc(cc1OC)[*:1]
CCOC(=O)CS(=O)(=O)C(C)(C)C CC(C)(C)[*:1] CCOC(=O)CS(=O)(=O)[*:1]
C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)[C@@H]1C O=C([O-])C[*:1] C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](C2)[*:1])[C@@H]1C
C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)[C@@H]1C O=C([O-])[*:1] C[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](C2)C[*:1])[C@@H]1C
CCc1nn(C)cc1NC(=O)c1sc2cccc(F)c2c1COC CCc1nn(C)cc1[*:1] COCc1c(sc2cccc(F)c12)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)c1sc2cccc(F)c2c1COC COC[*:1] CCc1nn(C)cc1NC(=O)c1sc2cccc(F)c2c1[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@H]1C O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@H]1C[C@H]1C)[*:1]
CCc1nn(C)cc1C(=O)NCCCCSC CSC[*:1] CCc1nn(C)cc1C(=O)NCCC[*:1]
CCc1nn(C)cc1C(=O)NCCCCSC CSCCC[*:1] CCc1nn(C)cc1C(=O)NC[*:1]
CCc1nn(C)cc1C(=O)NCCCCSC CSCC[*:1] CCc1nn(C)cc1C(=O)NCC[*:1]
COC(=O)[C@@H]1CC(=O)N(C)C12CCN(C(=O)c1cc(-c3ccccc3)on1)CC2 COC(=O)[*:1] CN1C(=O)C[C@H](C12CCN(CC2)C(=O)c1cc(on1)-c1ccccc1)[*:1]
COC(=O)[C@@H]1CC(=O)N(C)C12CCN(C(=O)c1cc(-c3ccccc3)on1)CC2 c1ccc(cc1)[*:1] COC(=O)[C@@H]1CC(=O)N(C)C12CCN(CC2)C(=O)c1cc(on1)[*:1]
CC[C@@H](NC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ccc(OC(C)C)c(c1)OC)[*:1]
CC[C@@H](NC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccc(C)cc1 CC(C)O[*:1] CC[C@@H](NC(=O)c1ccc(c(c1)OC)[*:1])c1ccc(C)cc1
CC[C@@H](NC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccc(C)cc1 CC(C)[*:1] CC[C@@H](NC(=O)c1ccc(O[*:1])c(c1)OC)c1ccc(C)cc1
Cc1ncn(C[C@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c1C C[C@H](O)C[*:1] Cc1ncn(C[C@H](C)[NH2+]CC(C)(C)[*:1])c1C
Cc1ncn(C[C@H](C)[NH2+]CC(C)(C)C[C@H](C)O)c1C C[C@H](O)[*:1] Cc1ncn(C[C@H](C)[NH2+]CC(C)(C)C[*:1])c1C
Cc1ccc(C[C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)s1 CC(C)(C)[*:1] Cc1ccc(C[C@@H](C)[NH2+]Cc2cnn(c2)[*:1])s1
Cc1ccc(C[C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)s1 Cc1ccc(s1)[*:1] C[C@H](C[*:1])[NH2+]Cc1cnn(c1)C(C)(C)C
Cc1ccccc1[C@H](C)CC(=O)NC[C@@H]1CCCN(c2ncccn2)C1 Cc1ccccc1[*:1] C[C@H](CC(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1ccccc1[C@H](C)CC(=O)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] Cc1ccccc1[C@H](C)CC(=O)NC[C@@H]1CCCN(C1)[*:1]
O=C(Cc1cccc(F)c1F)N1CCCN(c2nccs2)CC1 c1csc(n1)[*:1] O=C(Cc1cccc(F)c1F)N1CCCN(CC1)[*:1]
Cn1nnnc1SCC(=O)N[C@@H]1CCc2cc(Cl)ccc21 Cn1nnnc1S[*:1] O=C(C[*:1])N[C@@H]1CCc2cc(Cl)ccc21
Cn1nnnc1SCC(=O)N[C@@H]1CCc2cc(Cl)ccc21 Cn1nnnc1[*:1] O=C(CS[*:1])N[C@@H]1CCc2cc(Cl)ccc21
CCc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H]([C@H](C)O)C(=O)N3C2)cc1 CCc1ccc(cc1)[*:1] C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@@H](CN2C1=O)NC(=O)N[*:1]
CCc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@H]([C@H](C)O)C(=O)N3C2)cc1 C[C@H](O)[*:1] CCc1ccc(cc1)NC(=O)N[C@H]1C[C@H]2C(=O)N[C@H](C(=O)N2C1)[*:1]
CSc1ccc(CNC(=O)CCn2c(=O)c3cccn3c3ccc(F)cc32)cc1 CSc1ccc(cc1)C[*:1] O=C(CCn1c(=O)c2cccn2c2ccc(F)cc21)N[*:1]
CSc1ccc(CNC(=O)CCn2c(=O)c3cccn3c3ccc(F)cc32)cc1 CSc1ccc(cc1)[*:1] O=C(CCn1c(=O)c2cccn2c2ccc(F)cc21)NC[*:1]
Cc1cc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)ccc1-n1cncn1 c1ncn(n1)[*:1] Cc1cc(ccc1[*:1])C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C
O=C(C=C1CCSCC1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] O=C(C=C1CCSCC1)Nc1ccc(cc1)S(=O)(=O)[*:1]
O=C(C=C1CCSCC1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 O=S(=O)(C1CCCC1)[*:1] O=C(C=C1CCSCC1)Nc1ccc(cc1)[*:1]
C[C@@H](c1ccncc1)N1CCC([NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 c1cc(ccn1)[*:1] C[C@@H](N1CCC(CC1)[NH2+][C@H](C)c1ccc2CCCc2c1)[*:1]
C[C@@H](c1ccncc1)N1CCC([NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 C[C@@H](c1ccncc1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)[*:1])c1ccc2CCCc2c1
C/[NH+]=C(/NCCNS(=O)(=O)c1ccccc1)N1C[C@@H](C)C[C@@H](C)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCCNS(=O)(=O)[*:1])N1C[C@@H](C)C[C@@H](C)C1
COc1cccc(C[NH+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 FC(F)(F)[*:1] COc1cccc(c1)C[NH+](C)CC(=O)Nc1cc(ccc1Cl)[*:1]
COc1cccc(C[NH+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 COc1cccc(c1)[*:1] C[NH+](CC(=O)Nc1cc(ccc1Cl)C(F)(F)F)C[*:1]
CN(C[C@H](O)C1CC1)c1ncc([N+](=O)[O-])c(N)n1 C1CC1[*:1] CN(C[C@H](O)[*:1])c1ncc(c(N)n1)[N+](=O)[O-]
CN(C[C@H](O)C1CC1)c1ncc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] CN(C[C@H](O)C1CC1)c1ncc(c(N)n1)[*:1]
CN(C[C@H](O)C1CC1)c1ncc([N+](=O)[O-])c(N)n1 O[C@@H](C[*:1])C1CC1 CN(c1ncc(c(N)n1)[N+](=O)[O-])[*:1]
CN(C[C@H](O)C1CC1)c1ncc([N+](=O)[O-])c(N)n1 O[C@H](C1CC1)[*:1] CN(C[*:1])c1ncc(c(N)n1)[N+](=O)[O-]
COc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1O c1ccc(cc1)[*:1] COc1cccc(C(=O)N2CCN(CC2)C[*:1])c1O
COc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1O c1ccc(cc1)C[*:1] COc1cccc(C(=O)N2CCN(CC2)[*:1])c1O
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(C)ccn1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@H](NC(=O)[*:1])C(=O)Nc1cc(C)ccn1
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(C)ccn1 CC[C@@H](C)[*:1] Cc1ccnc(c1)NC(=O)[C@@H](NC(=O)c1ccccc1)[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(C)ccn1 Cc1ccnc(c1)[*:1] CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CCOc1cc(NC(=O)N[C@H]2CCC[C@@H]2C(=O)OC)ccc1C CCO[*:1] COC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C)c(c1)[*:1]
CCOc1cc(NC(=O)N[C@H]2CCC[C@@H]2C(=O)OC)ccc1C COC(=O)[*:1] CCOc1cc(ccc1C)NC(=O)N[C@H]1CCC[C@H]1[*:1]
Cc1ccc([C@@H](OC[C@@H](O)CN2CCO[C@H](C)C2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](OC[C@@H](O)CN1CCO[C@H](C)C1)[*:1]
Cc1ccc([C@@H](OC[C@@H](O)CN2CCO[C@H](C)C2)c2ccccc2)cc1 C[C@@H]1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](OC[C@@H](O)C[*:1])c1ccccc1
Cc1ccc([C@@H](OC[C@@H](O)CN2CCO[C@H](C)C2)c2ccccc2)cc1 C[C@@H]1CN(CCO1)C[*:1] Cc1ccc(cc1)[C@@H](OC[C@@H](O)[*:1])c1ccccc1
Cc1ccc([C@@H](OC[C@@H](O)CN2CCO[C@H](C)C2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CN(CCO1)C[C@H](O)CO[C@@H](c1ccccc1)[*:1]
O=C(COc1ccccc1-c1ccccc1)Nc1cccc2ncccc12 c1ccc(cc1)[*:1] O=C(COc1ccccc1[*:1])Nc1cccc2ncccc12
CC[C@@H](Cc1ccccc1)N(CC)C(=O)[C@H]1CCO[C@@H]1C c1ccc(cc1)C[*:1] CC[C@@H](N(CC)C(=O)[C@H]1CCO[C@@H]1C)[*:1]
CC[C@@H](Cc1ccccc1)N(CC)C(=O)[C@H]1CCO[C@@H]1C c1ccc(cc1)[*:1] CC[C@@H](C[*:1])N(CC)C(=O)[C@H]1CCO[C@@H]1C
C[C@H]1CO[C@H](CO)CN1C(=O)[C@@H](C)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H]1CO[C@H](CO)CN1C(=O)[C@@H](C)NC(=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)C(=O)NC[*:1]
COc1ccccc1CC(=O)NCC(=O)Nc1c(C)cccc1C Cc1cccc(C)c1[*:1] COc1ccccc1CC(=O)NCC(=O)N[*:1]
COc1ccccc1CC(=O)NCC(=O)Nc1c(C)cccc1C COc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)C[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NC2(C)Cc3ccccc3C2)C1 CC(C)[*:1] CC1(Cc2ccccc2C1)NC(=O)C[C@@H]1CCCN(C1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NC2(C)Cc3ccccc3C2)C1 CC(C)C[*:1] CC1(Cc2ccccc2C1)NC(=O)C[C@@H]1CCCN(C1)C(=O)N[*:1]
CCCS(=O)(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1 CCC[*:1] Cc1[nH]c2ccccc2c1C1=CCN(CC1)S(=O)(=O)[*:1]
COC(=O)C1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 C1CC1[*:1] COC(=O)C1CCN(CC1)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
COC(=O)C1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 COC(=O)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCC(CC1)[*:1]
COC(=O)C1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 Clc1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)N[C@H](C1CC1)[*:1]
Cc1cc([C@H](C)NC(=O)Nc2ccc(F)c(C(N)=O)c2)c(C)o1 NC(=O)[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)Nc1ccc(F)c(c1)[*:1]
Cc1cc([C@H](C)NC(=O)Nc2ccc(F)c(C(N)=O)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](NC(=O)Nc1ccc(F)c(c1)C(N)=O)[*:1]
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 CN(C)C(=O)[*:1] O=S(=O)([N-]c1ccc(F)c(F)c1)c1cccc(c1)[*:1]
O=C(NCCCNC(=O)[C@H]1COc2ccc(F)cc2C1)C1CCC1 O=C(NC[*:1])C1CCC1 O=C(NCC[*:1])[C@H]1COc2ccc(F)cc2C1
O=C(NCCCNC(=O)[C@H]1COc2ccc(F)cc2C1)C1CCC1 C1CC(C1)[*:1] O=C(NCCCNC(=O)[*:1])[C@H]1COc2ccc(F)cc2C1
O=C(NCCCNC(=O)[C@H]1COc2ccc(F)cc2C1)C1CCC1 O=C(N[*:1])C1CCC1 O=C(NCCC[*:1])[C@H]1COc2ccc(F)cc2C1
Nc1cc[nH+]c(N2CCc3onc(-c4ccc(Cl)cc4)c3C2)n1 Clc1ccc(cc1)[*:1] Nc1cc[nH+]c(n1)N1CCc2onc(c2C1)[*:1]
CC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 CC[C@@H](C)NC(=O)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(c1)C(=O)N1CCC[C@H](C1)[*:1]
CC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 CC[C@@H](C)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(c1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)C1 Cc1cc(C)c(c(C)c1)[*:1] CC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)NS(=O)(=O)[*:1]
CCOC(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)n1 Clc1ccc(nc1)[*:1] CCOC(=O)c1cccc(n1)C(=O)N[*:1]
CCOC(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)n1 CCOC(=O)[*:1] O=C(Nc1ccc(Cl)cn1)c1cccc(n1)[*:1]
Cc1ccc([N+](=O)[O-])c(/C([O-])=N/S(=O)(=O)c2cccs2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)/C([O-])=N/S(=O)(=O)c1cccs1)[*:1]
Cc1ccc([N+](=O)[O-])c(/C([O-])=N/S(=O)(=O)c2cccs2)c1 c1csc(c1)[*:1] Cc1ccc(c(c1)/C([O-])=N/S(=O)(=O)[*:1])[N+](=O)[O-]
Cc1cc(O)ccc1N1C(=O)C[C@H](Nc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] Cc1cc(O)ccc1N1C(=O)C[C@H](N[*:1])C1=O
C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N[*:1]
C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)N[C@@H](C)c1ccccc1
C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N[C@@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)cc1C C1CC1c1noc(n1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)[C@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](c1nc(no1)C1CC1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)[C@H](C)c1nc(no1)[*:1]
CC(=O)Nc1cc(NC(=O)C(C)(C)F)ccc1F CC(=O)N[*:1] CC(C)(F)C(=O)Nc1ccc(F)c(c1)[*:1]
CC(=O)Nc1cc(NC(=O)C(C)(C)F)ccc1F CC(C)(F)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)[*:1]
C[C@H](NC(=O)c1ccc2c(c1)CCCC2)C(N)=O NC(=O)[*:1] C[C@H](NC(=O)c1ccc2CCCCc2c1)[*:1]
C[C@H](NC(=O)c1ccc2c(c1)CCCC2)C(N)=O C[C@H](C(N)=O)[*:1] O=C(N[*:1])c1ccc2CCCCc2c1
O=[N+]([O-])c1ccccc1[C@@H](O)CCBr O=[N+]([O-])[*:1] O[C@@H](CCBr)c1ccccc1[*:1]
O=[N+]([O-])c1ccccc1[C@@H](O)CCBr BrCC[*:1] O=[N+]([O-])c1ccccc1[C@@H](O)[*:1]
Cc1ccc(C)c(C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)c1 Cc1ccc(C)c(c1)[*:1] O=C1Cc2cc(cc3CCCN1c32)NC(=O)[*:1]
C/C(=C/c1cccc(OCC(=O)[O-])c1)c1nc2sccc2c(=O)[nH]1 O=C([O-])CO[*:1] C/C(=C/c1cccc(c1)[*:1])c1nc2sccc2c(=O)[nH]1
C/C(=C/c1cccc(OCC(=O)[O-])c1)c1nc2sccc2c(=O)[nH]1 O=C([O-])[*:1] C/C(=C/c1cccc(c1)OC[*:1])c1nc2sccc2c(=O)[nH]1
C/C(=C/c1cccc(OCC(=O)[O-])c1)c1nc2sccc2c(=O)[nH]1 O=C([O-])C[*:1] C/C(=C/c1cccc(c1)O[*:1])c1nc2sccc2c(=O)[nH]1
C[C@H](NC(=O)N1Cc2ccccc2C1)C1CC1 C1CC1[*:1] C[C@H](NC(=O)N1Cc2ccccc2C1)[*:1]
C[C@H](NC(=O)N1Cc2ccccc2C1)C1CC1 C[C@H](C1CC1)[*:1] O=C(N[*:1])N1Cc2ccccc2C1
CCS(=O)(=O)CCCC(=O)C1([NH+](C)C)CCC(C)CC1 CCS(=O)(=O)[*:1] CC1CCC(CC1)(C(=O)CCC[*:1])[NH+](C)C
CCS(=O)(=O)CCCC(=O)C1([NH+](C)C)CCC(C)CC1 CCS(=O)(=O)C[*:1] CC1CCC(CC1)(C(=O)CC[*:1])[NH+](C)C
CN(C(=O)Cc1cccc(OCC#N)c1)c1ccccc1S(C)(=O)=O N#CCO[*:1] CN(C(=O)Cc1cccc(c1)[*:1])c1ccccc1S(C)(=O)=O
CN(C(=O)Cc1cccc(OCC#N)c1)c1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)Cc1cccc(c1)OCC#N)c1ccccc1[*:1]
CN(C(=O)Cc1cccc(OCC#N)c1)c1ccccc1S(C)(=O)=O N#CC[*:1] CN(C(=O)Cc1cccc(c1)O[*:1])c1ccccc1S(C)(=O)=O
N#CC1(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCCC1 N#CC1(CCCC1)[*:1] O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[*:1]
N#CC1(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCCC1 c1ccc(cc1)C[*:1] N#CC1(CCCC1)NC(=O)C[NH+](Cc1ccccc1)[*:1]
N#CC1(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCCC1 c1ccc(cc1)[*:1] N#CC1(CCCC1)NC(=O)C[NH+](Cc1ccccc1)C[*:1]
COc1ccc(OC)c(COC(=O)c2coc(Br)c2)c1 Brc1cc(co1)[*:1] COc1ccc(OC)c(c1)COC(=O)[*:1]
O=C(c1cc2ccccc2c(=O)[nH]1)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1cc2ccccc2c(=O)[nH]1)N1CCCC[C@H]1C[*:1]
O=C(c1cc2ccccc2c(=O)[nH]1)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(c1cc2ccccc2c(=O)[nH]1)N1CCCC[C@H]1CC[*:1]
O=C(c1cc2ccccc2c(=O)[nH]1)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(c1cc2ccccc2c(=O)[nH]1)N1CCCC[C@@H]1[*:1]
CC(C)(C)OC(=O)NCCC(=O)N1CCC([NH3+])CC1 CC(C)(C)[*:1] [NH3+]C1CCN(CC1)C(=O)CCNC(=O)O[*:1]
O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1)c1ccncc1 c1cc(ccn1)[*:1] O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1)[*:1]
O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1)c1ccncc1 Fc1ccc(cc1)[*:1] O=C(N[C@@H]1CCCc2c1cnn2[*:1])c1ccncc1
C[C@H]1C[C@H]1NC(=O)Nc1ccc(C(N)=O)c(Cl)c1 NC(=O)[*:1] C[C@H]1C[C@H]1NC(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 O=C(NC[C@H]1CCCO1)[*:1] Cc1ccccc1C(=O)NC(=S)Nc1cccc(c1)[*:1]
Cc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 Cc1ccccc1[*:1] O=C(NC[C@H]1CCCO1)c1cccc(c1)NC(=S)NC(=O)[*:1]
CC(=O)c1cc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)[nH]n1 CC(=O)c1cc([nH]n1)[*:1] O=C(N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CC(=O)c1cc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)[nH]n1 CC(=O)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21
CC(=O)c1cc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)[nH]n1 C1CC1[*:1] CC(=O)c1cc([nH]n1)C(=O)N1CCN(C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
CC(=O)c1cc(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)[nH]n1 C1CC1C[*:1] CC(=O)c1cc([nH]n1)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CC/C(Cc1ccccc1)=N\NC(=O)C(=O)Nc1ccc(Cl)cc1C Cc1cc(Cl)ccc1[*:1] CC/C(Cc1ccccc1)=N\NC(=O)C(=O)N[*:1]
CC/C(Cc1ccccc1)=N\NC(=O)C(=O)Nc1ccc(Cl)cc1C c1ccc(cc1)[*:1] CC/C(C[*:1])=N\NC(=O)C(=O)Nc1ccc(Cl)cc1C
CC/C(Cc1ccccc1)=N\NC(=O)C(=O)Nc1ccc(Cl)cc1C c1ccc(cc1)C[*:1] CCC(=NNC(=O)C(=O)Nc1ccc(Cl)cc1C)[*:1]
Cc1cccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)c1C Cc1cccc(c1C)[*:1] Cc1sc2nc([nH]c(=O)c2c1C)SCC(=O)N[*:1]
COCC[NH2+]Cc1ncoc1-c1c(F)cccc1F COCC[*:1] Fc1cccc(F)c1-c1ocnc1C[NH2+][*:1]
COCC[NH2+]Cc1ncoc1-c1c(F)cccc1F COC[*:1] Fc1cccc(F)c1-c1ocnc1C[NH2+]C[*:1]
CCc1c(C)sc(NC(=O)COc2ccccc2)c1C(=O)OC COC(=O)[*:1] CCc1c(C)sc(NC(=O)COc2ccccc2)c1[*:1]
CCc1c(C)sc(NC(=O)COc2ccccc2)c1C(=O)OC c1ccc(cc1)[*:1] CCc1c(C)sc(NC(=O)CO[*:1])c1C(=O)OC
CCc1c(C)sc(NC(=O)COc2ccccc2)c1C(=O)OC c1ccc(cc1)O[*:1] CCc1c(C)sc(NC(=O)C[*:1])c1C(=O)OC
c1ccc2c(CNCc3cnc(N4CCOCC4)nc3)csc2c1 C1CN(CCO1)[*:1] c1ccc2c(csc2c1)CNCc1cnc(nc1)[*:1]
CCOc1ccc2[nH]c(C[NH2+][C@@H](C)CC)nc2n1 CCO[*:1] CC[C@H](C)[NH2+]Cc1nc2nc(ccc2[nH]1)[*:1]
Cc1ccc(CNC(=O)N(C)Cc2cccs2)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)CNC(=O)N(C)[*:1]
Cc1ccc(CNC(=O)N(C)Cc2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)CNC(=O)N(C)C[*:1]
CC(=O)Nc1cc(C(=O)NCc2ccco2)ccc1Sc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1S[*:1])C(=O)NCc1ccco1
CC(=O)Nc1cc(C(=O)NCc2ccco2)ccc1Sc1ccc(Cl)cc1 CC(=O)N[*:1] O=C(NCc1ccco1)c1ccc(Sc2ccc(Cl)cc2)c(c1)[*:1]
CC(=O)Nc1cc(C(=O)NCc2ccco2)ccc1Sc1ccc(Cl)cc1 c1coc(c1)C[*:1] CC(=O)Nc1cc(ccc1Sc1ccc(Cl)cc1)C(=O)N[*:1]
CC(=O)Nc1cc(C(=O)NCc2ccco2)ccc1Sc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] CC(=O)Nc1cc(ccc1[*:1])C(=O)NCc1ccco1
CC(=O)Nc1cc(C(=O)NCc2ccco2)ccc1Sc1ccc(Cl)cc1 c1coc(c1)[*:1] CC(=O)Nc1cc(ccc1Sc1ccc(Cl)cc1)C(=O)NC[*:1]
CC(=O)Nc1cc(C(=O)NCc2ccco2)ccc1Sc1ccc(Cl)cc1 O=C(NCc1ccco1)[*:1] CC(=O)Nc1cc(ccc1Sc1ccc(Cl)cc1)[*:1]
C[C@H](Oc1ccccc1)c1nnc(NC(=O)Nc2cccc(Cl)c2)s1 c1ccc(cc1)[*:1] C[C@H](O[*:1])c1nnc(NC(=O)Nc2cccc(Cl)c2)s1
C[C@H](Oc1ccccc1)c1nnc(NC(=O)Nc2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] C[C@H](Oc1ccccc1)c1nnc(NC(=O)N[*:1])s1
C[C@H](Oc1ccccc1)c1nnc(NC(=O)Nc2cccc(Cl)c2)s1 c1ccc(cc1)O[*:1] C[C@H](c1nnc(NC(=O)Nc2cccc(Cl)c2)s1)[*:1]
O=C([C@H](Cl)c1ccccc1C1CC1)N1CCCCC1 C1CC1[*:1] O=C([C@H](Cl)c1ccccc1[*:1])N1CCCCC1
N#CC[C@@]1(c2ncc(C(F)(F)F)cc2Cl)C=CC=CC1 FC(F)(F)[*:1] N#CC[C@]1(C=CC=CC1)c1ncc(cc1Cl)[*:1]
N#CC[C@@]1(c2ncc(C(F)(F)F)cc2Cl)C=CC=CC1 N#CC[*:1] FC(F)(F)c1cnc(c(Cl)c1)[C@]1(C=CC=CC1)[*:1]
CCSc1ccccc1[N-]S(=O)(=O)C[C@@H](C)CCl CCS[*:1] C[C@@H](CCl)CS(=O)(=O)[N-]c1ccccc1[*:1]
CCSc1ccccc1[N-]S(=O)(=O)C[C@@H](C)CCl C[C@@H](CCl)[*:1] CCSc1ccccc1[N-]S(=O)(=O)C[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)CCNc2ncccn2)c1 Cc1cnn(c1)C[*:1] O=C(CCNc1ncccn1)N1CCC[C@H]1[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)CCNc2ncccn2)c1 Cc1cnn(c1)[*:1] O=C(CCNc1ncccn1)N1CCC[C@H]1C[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)CCNc2ncccn2)c1 c1cnc(nc1)[*:1] Cc1cnn(c1)C[C@@H]1CCCN1C(=O)CCN[*:1]
Cc1cnn(C[C@@H]2CCCN2C(=O)CCNc2ncccn2)c1 c1cnc(nc1)N[*:1] Cc1cnn(c1)C[C@@H]1CCCN1C(=O)CC[*:1]
CCCN[C@@]1(C(=O)OC)CC[C@H](N2CCOC[C@@H]2C)C1 CCCN[*:1] COC(=O)[C@]1(CC[C@@H](C1)N1CCOC[C@@H]1C)[*:1]
CCCN[C@@]1(C(=O)OC)CC[C@H](N2CCOC[C@@H]2C)C1 CCC[*:1] COC(=O)[C@@]1(CC[C@@H](C1)N1CCOC[C@@H]1C)N[*:1]
CCCN[C@@]1(C(=O)OC)CC[C@H](N2CCOC[C@@H]2C)C1 COC(=O)[*:1] CCCN[C@]1(CC[C@@H](C1)N1CCOC[C@@H]1C)[*:1]
CC(C)c1nn(C)cc1C[NH+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 CC(C)[*:1] Cn1cc(C[NH+](C)C2CCC(CC2)NC(=O)OC(C)(C)C)c(n1)[*:1]
CC(C)c1nn(C)cc1C[NH+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)N[*:1] CC(C)c1nn(C)cc1C[NH+](C)C1CCC(CC1)[*:1]
CC(C)c1nn(C)cc1C[NH+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)c1nn(C)cc1C[NH+](C)C1CCC(CC1)NC(=O)O[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)N1CCc2ccc(Cl)cc2C1 CC(C)C[*:1] NC(=O)N[C@H](C(=O)N1CCc2ccc(Cl)cc2C1)[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)N1CCc2ccc(Cl)cc2C1 NC(=O)N[*:1] CC(C)C[C@H](C(=O)N1CCc2ccc(Cl)cc2C1)[*:1]
CC(C)C[C@H](NC(N)=O)C(=O)N1CCc2ccc(Cl)cc2C1 CC(C)[*:1] NC(=O)N[C@@H](C[*:1])C(=O)N1CCc2ccc(Cl)cc2C1
CC[C@H]1CCCCN1C(=O)c1csc(NC(C)=O)n1 CC(=O)N[*:1] CC[C@H]1CCCCN1C(=O)c1csc(n1)[*:1]
NNC(=O)c1ccc(OCc2ccccc2)cc1Cl NNC(=O)[*:1] Clc1cc(ccc1[*:1])OCc1ccccc1
NNC(=O)c1ccc(OCc2ccccc2)cc1Cl c1ccc(cc1)[*:1] NNC(=O)c1ccc(cc1Cl)OC[*:1]
C[C@H]1C[C@@H](C)CN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)C1 C[C@H]1C[C@@H](C)CN(C1)[*:1] O=S1(=O)C[C@@H]([C@H](C1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
C[C@H]1C[C@@H](C)CN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[*:1]
COc1ccc(OC)c(CC(=O)N2CCC(n3c(C4CCC4)nc4cc(F)ccc43)CC2)c1 C1CC(C1)[*:1] COc1ccc(OC)c(c1)CC(=O)N1CCC(CC1)n1c(nc2cc(F)ccc21)[*:1]
COc1ccc(OC)c(CC(=O)N2CCC(n3c(C4CCC4)nc4cc(F)ccc43)CC2)c1 COc1ccc(OC)c(c1)[*:1] O=C(C[*:1])N1CCC(CC1)n1c(nc2cc(F)ccc21)C1CCC1
COc1ccc(OC)c(CC(=O)N2CCC(n3c(C4CCC4)nc4cc(F)ccc43)CC2)c1 COc1ccc(OC)c(c1)C[*:1] O=C(N1CCC(CC1)n1c(nc2cc(F)ccc21)C1CCC1)[*:1]
Cc1nn([C@H]2CCCC[C@@H]2O)c(N)c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(N)c1[*:1])[C@H]1CCCC[C@@H]1O
Cc1noc(CSc2nnnn2-c2cccc(C)c2C)n1 Cc1noc(C[*:1])n1 Cc1cccc(c1C)-n1nnnc1S[*:1]
Cc1noc(CSc2nnnn2-c2cccc(C)c2C)n1 Cc1noc(n1)[*:1] Cc1cccc(c1C)-n1nnnc1SC[*:1]
Cc1ccc(N(CCC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N(CCC(=O)N1CCC(C)CC1)S(=O)(=O)[*:1]
Cc1ccc(N(CCC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CCC(=O)N1CCC(C)CC1)[*:1]
Cc1ccc(N(CCC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 CC1CCN(CC1)C(=O)[*:1] Cc1ccc(cc1)N(CC[*:1])S(=O)(=O)c1ccc(C)cc1
O=C(CNC(=O)[C@H]1COc2ccccc2O1)NCC(F)(F)F FC(F)(F)[*:1] O=C(CNC(=O)[C@H]1COc2ccccc2O1)NC[*:1]
O=C(CNC(=O)[C@H]1COc2ccccc2O1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CNC(=O)[C@H]1COc2ccccc2O1)N[*:1]
Cc1cnn([C@H]2CC[C@@]([NH3+])(C(=O)[O-])C2)c1 O=C([O-])[*:1] Cc1cnn(c1)[C@H]1CC[C@@]([NH3+])(C1)[*:1]
CC1(C)[C@]2(C(=O)[O-])CC[C@@]1(C)C(=O)C2 O=C([O-])[*:1] CC1(C)[C@@]2(CC[C@@]1(C)C(=O)C2)[*:1]
O=C(c1cccc(C(F)(F)F)c1F)N1CC[C@@H](O)C1 FC(F)(F)[*:1] O=C(c1cccc(c1F)[*:1])N1CC[C@@H](O)C1
COc1ccccc1O[C@@H](C)C(=O)N(Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)[*:1] COc1ccccc1O[C@@H](C)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccccc1O[C@@H](C)C(=O)N(Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 COc1ccccc1[*:1] Cc1ccc(cc1)CN(C(=O)[C@H](C)O[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccccc1O[C@@H](C)C(=O)N(Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 COc1ccccc1O[*:1] Cc1ccc(cc1)CN(C(=O)[C@H](C)[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccccc1O[C@@H](C)C(=O)N(Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)C[*:1] COc1ccccc1O[C@@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
C[C@H](NC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 O=[N+]([O-])[*:1] C[C@H](NC(=O)NNC(=O)c1ccc(cc1)[*:1])c1cccc(Cl)c1
C[C@H](NC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)NNC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
COC(=O)CC[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 COC(=O)C[*:1] C1C[C@H](C[C@@]2(CCSC2)O1)[NH2+]C[*:1]
COC(=O)CC[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 COC(=O)[*:1] C(C[*:1])[NH2+][C@@H]1CCO[C@]2(CCSC2)C1
CO[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CO[C@@H]1CCCN(C1)C(=O)CCNS(=O)(=O)[*:1]
COC(=O)C1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(C(C)(C)C)C1 Clc1cccc(c1)[*:1] COC(=O)C1C[C@](O)(N(N=1)C(=O)[*:1])C(C)(C)C
COC(=O)C1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(C(C)(C)C)C1 CC(C)(C)[*:1] COC(=O)C1C[C@@](O)(N(N=1)C(=O)c1cccc(Cl)c1)[*:1]
CN(Cc1ccccc1OCc1ccccn1)Cc1nc2ccccc2n1C c1ccc(nc1)[*:1] CN(Cc1ccccc1OC[*:1])Cc1nc2ccccc2n1C
CN(Cc1ccccc1OCc1ccccn1)Cc1nc2ccccc2n1C c1ccc(C[*:1])nc1 CN(Cc1ccccc1O[*:1])Cc1nc2ccccc2n1C
CN(Cc1ccccc1OCc1ccccn1)Cc1nc2ccccc2n1C c1ccc(CO[*:1])nc1 CN(Cc1ccccc1[*:1])Cc1nc2ccccc2n1C
Cc1cc(N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)nc(C)n1 c1ccc(cc1)[*:1] Cc1cc(nc(C)n1)N/N=C1/C[C@H](Oc2ccccc21)[*:1]
Cc1cc(N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)nc(C)n1 Cc1cc(nc(C)n1)[*:1] c1ccc(cc1)[C@H]1C/C(=N/N[*:1])c2ccccc2O1
CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(N(C)C)c2)c1 CN(C)[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(N(C)C)c2)c1 CCN(CC)C(=O)[*:1] CN(C)c1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CCCc1nc(no1)-c1ccc(Cl)cc1)N[*:1]
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc([N+](=O)[O-])cc1 Clc1ccc(cc1)[*:1] O=C(CCCc1nc(no1)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(CCCc1nc(no1)-c1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
C=C(C)COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC C=C(C)[*:1] COc1cc(/C=C2\N=C(OC2=O)c2cccs2)ccc1OC[*:1]
C=C(C)COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC C=C(C)C[*:1] COc1cc(/C=C2\N=C(OC2=O)c2cccs2)ccc1O[*:1]
C=C(C)COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC C=C(C)CO[*:1] COc1cc(/C=C2\N=C(OC2=O)c2cccs2)ccc1[*:1]
C=C(C)COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC c1csc(c1)[*:1] C=C(C)COc1ccc(/C=C2\N=C(OC2=O)[*:1])cc1OC
Cc1csc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)[*:1]
Cc1csc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1csc(n1)[C@H](C)NC(=O)[C@@H](C)O[*:1]
C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 C[C@H]1C[C@H]1[*:1] O=C([O-])[C@H]1CC[C@@H](CNC(=O)[*:1])O1
C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CC[C@H](O1)[*:1]
Cn1c(=O)n(C)c2cc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)ccc21 c1ccc(cc1)C[*:1] Cn1c(=O)n(C)c2cc(ccc21)NC(=O)C1CC[NH+](CC1)[*:1]
Cn1c(=O)n(C)c2cc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)ccc21 c1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)NC(=O)C1CC[NH+](CC1)C[*:1]
Cc1[nH+]cc(CN2CCO[C@H](Cc3ccccc3Cl)C2)n1C Clc1ccccc1[*:1] Cc1[nH+]cc(CN2CCO[C@@H](C2)C[*:1])n1C
C[C@H](C(=O)NC[C@H]1CCCO1)n1nnc2ccccc2c1=O C1CO[C@H](C1)C[*:1] C[C@H](C(=O)N[*:1])n1nnc2ccccc2c1=O
C[C@H](C(=O)NC[C@H]1CCCO1)n1nnc2ccccc2c1=O C1CO[C@H](C1)[*:1] C[C@H](C(=O)NC[*:1])n1nnc2ccccc2c1=O
CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 CCC(=O)N[*:1] Cc1noc(/C=C/c2ccc(s2)S(=O)(=O)N2CCN(CC2)c2cccc[nH+]2)c1[*:1]
CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 CCC(=O)Nc1c(C)noc1[*:1] O=S(=O)(c1ccc(C=C[*:1])s1)N1CCN(CC1)c1cccc[nH+]1
CCOc1ccccc1NC(=O)[C@@](C)(N)C(F)(F)F CCO[*:1] C[C@@](N)(C(=O)Nc1ccccc1[*:1])C(F)(F)F
CCOc1ccccc1NC(=O)[C@@](C)(N)C(F)(F)F FC(F)(F)[*:1] CCOc1ccccc1NC(=O)[C@@](C)(N)[*:1]
CSCC[C@@H]1NC(=O)N(Cc2cc(C)cc(C)c2)C1=O CSC[*:1] Cc1cc(C)cc(c1)CN1C(=O)N[C@@H](C[*:1])C1=O
CSCC[C@@H]1NC(=O)N(Cc2cc(C)cc(C)c2)C1=O CSCC[*:1] Cc1cc(C)cc(c1)CN1C(=O)N[C@H](C1=O)[*:1]
C=CC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl C=CC(=O)N[*:1] Fc1ccc(cc1)NC(=S)N[C@@H](C(Cl)(Cl)Cl)[*:1]
C=CC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] C=CC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)[*:1]
C=CC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl Fc1ccc(cc1)[*:1] C=CC(=O)N[C@@H](NC(=S)N[*:1])C(Cl)(Cl)Cl
C=CCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(F)cc2)CC1 C=CC[*:1] O=C(N[C@@H](C(=O)N[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1)c1cccs1
C=CCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(F)cc2)CC1 O=C(N[*:1])c1cccs1 C=CCNC(=O)[C@H](C1CCN(CC1)C(=O)c1ccc(F)cc1)[*:1]
C=CCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C=CCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(CC1)C(=O)[*:1]
C=CCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(F)cc2)CC1 C=CCNC(=O)[*:1] O=C(N[C@H](C1CCN(CC1)C(=O)c1ccc(F)cc1)[*:1])c1cccs1
C=CCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(F)cc2)CC1 c1csc(c1)[*:1] C=CCNC(=O)[C@H](NC(=O)[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1
CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3OC)n2N)cc1 COc1ccccc1[*:1] CCc1ccc(cc1)NC(=O)[C@@H](C)Sc1nnc(n1N)[*:1]
CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3OC)n2N)cc1 CCc1ccc(cc1)[*:1] COc1ccccc1-c1nnc(S[C@H](C)C(=O)N[*:1])n1N
CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1SC CCO[*:1] CS[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1[*:1]
O=C(N[C@H]1CCCc2ccccc21)c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)[nH]c1=O Fc1ccc(cc1)[*:1] O=C(N[C@H]1CCCc2ccccc21)c1ccc(CN2CC=C(CC2)[*:1])[nH]c1=O
O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 Clc1ccc(cc1)[*:1] O=C(Nc1nc2N[C@H](C[C@H](n2n1)[*:1])c1ccc(Cl)cc1)c1ccco1
O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 O=C(N[*:1])c1ccco1 Clc1ccc(cc1)[C@H]1C[C@H](c2ccc(Cl)cc2)n2nc(nc2N1)[*:1]
O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 c1coc(c1)[*:1] O=C(Nc1nc2N[C@H](C[C@H](c3ccc(Cl)cc3)n2n1)c1ccc(Cl)cc1)[*:1]
O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 Clc1ccc(cc1)[*:1] O=C(Nc1nc2N[C@@H](C[C@H](c3ccc(Cl)cc3)n2n1)[*:1])c1ccco1
COc1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)-c1csc(n1)N1CCOCC1)[*:1]
COc1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)C(=O)Nc1ccc(cc1)-c1csc(n1)[*:1]
CCCc1cc2c(c(=O)o1)[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 CCC[*:1] N#CC1=C(N)Oc2cc(oc(=O)c2[C@@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
CCCc1cc2c(c(=O)o1)[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 O=[N+]([O-])[*:1] CCCc1cc2OC(N)=C(C#N)[C@@H](c3cccc(c3)[*:1])c2c(=O)o1
Cc1ccc(CNC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)ccc2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)[C@@H](C)n1nc(ccc1=O)[*:1]
Cc1ccc(CNC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)ccc2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)NC[*:1]
Cc1ccc(CNC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)ccc2=O)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)N[*:1]
COCCCn1c(=O)c2ccccc2n2c(SCC3CCCC3)nnc12 C1CCC(C1)[*:1] COCCCn1c(=O)c2ccccc2n2c(nnc12)SC[*:1]
COCCCn1c(=O)c2ccccc2n2c(SCC3CCCC3)nnc12 COCCC[*:1] O=c1c2ccccc2n2c(nnc2n1[*:1])SCC1CCCC1
COCCCn1c(=O)c2ccccc2n2c(SCC3CCCC3)nnc12 COCC[*:1] O=c1c2ccccc2n2c(nnc2n1C[*:1])SCC1CCCC1
COCCCn1c(=O)c2ccccc2n2c(SCC3CCCC3)nnc12 C1CCC(C1)C[*:1] COCCCn1c(=O)c2ccccc2n2c(nnc12)S[*:1]
COCCCn1c(=O)c2ccccc2n2c(SCC3CCCC3)nnc12 COC[*:1] O=c1c2ccccc2n2c(nnc2n1CC[*:1])SCC1CCCC1
COCCCn1c(=O)c2ccccc2n2c(SCC3CCCC3)nnc12 C1CCC(C1)CS[*:1] COCCCn1c(=O)c2ccccc2n2c(nnc12)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(CCC(=O)N2CCCCC2)CC1 Cc1noc(C)c1[*:1] O=C(CCN1CCN(CC1)S(=O)(=O)[*:1])N1CCCCC1
Cc1noc(C)c1S(=O)(=O)N1CCN(CCC(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)CC[*:1]
C[C@H](Oc1cccc(I)c1)C(=O)NCc1ccccc1Cl Ic1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)NCc1ccccc1Cl
C[C@H](Oc1cccc(I)c1)C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] C[C@H](Oc1cccc(I)c1)C(=O)NC[*:1]
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccc(N3CCCC3=O)cc1)CC2 O=C1CCCN1c1ccc(cc1)[*:1] COc1cc2CCN(CC(=O)N[*:1])[C@@H](c3ccccc3)c2cc1OC
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccc(N3CCCC3=O)cc1)CC2 O=C1CCCN1[*:1] COc1cc2CCN(CC(=O)Nc3ccc(cc3)[*:1])[C@@H](c3ccccc3)c2cc1OC
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccc(N3CCCC3=O)cc1)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(CC(=O)Nc3ccc(cc3)N3CCCC3=O)[C@@H](c2cc1OC)[*:1]
Cc1nn(C)c(=O)c(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1C Fc1ccc(cc1)[*:1] Cc1nn(C)c(=O)c(C(=O)N2C[C@H](C[C@@H]2C)[*:1])c1C
CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NN1C O=[N+]([O-])[*:1] CCOC(=O)C1=NN(c2ccccc2)[C@H](NN1C)c1ccc(cc1)[*:1]
CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NN1C O=[N+]([O-])c1ccc(cc1)[*:1] CCOC(=O)C1=NN(c2ccccc2)[C@@H](NN1C)[*:1]
CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NN1C c1ccc(cc1)[*:1] CCOC(=O)C1=NN([C@H](NN1C)c1ccc(cc1)[N+](=O)[O-])[*:1]
COc1cc([C@H]2SCC(=O)N2Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1O COc1cc(ccc1O)[*:1] O=C1CS[C@@H](N1Cc1cn(nc1-c1ccc(F)cc1)-c1ccccc1)[*:1]
COc1cc([C@H]2SCC(=O)N2Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1O Fc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1SCC(=O)N1Cc1cn(nc1[*:1])-c1ccccc1
COc1cc([C@H]2SCC(=O)N2Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1SCC(=O)N1Cc1cn(nc1-c1ccc(F)cc1)[*:1]
CC(C)CN(c1cc(Cl)ccc1C#N)C1CCCC1 CC(C)[*:1] N#Cc1ccc(Cl)cc1N(C[*:1])C1CCCC1
CC(C)CN(c1cc(Cl)ccc1C#N)C1CCCC1 CC(C)C[*:1] N#Cc1ccc(Cl)cc1N(C1CCCC1)[*:1]
CC(C)CN(c1cc(Cl)ccc1C#N)C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(c1cc(Cl)ccc1C#N)[*:1]
Cc1ccc(-n2ncc3c(NCc4ccc(Cl)cc4)ncnc32)cc1C Clc1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1ncc2c(ncnc21)NC[*:1]
Cc1ccc(-n2ncc3c(NCc4ccc(Cl)cc4)ncnc32)cc1C Cc1ccc(cc1C)[*:1] Clc1ccc(cc1)CNc1ncnc2c1cnn2[*:1]
Cc1ccc(-n2ncc3c(NCc4ccc(Cl)cc4)ncnc32)cc1C Clc1ccc(cc1)C[*:1] Cc1ccc(cc1C)-n1ncc2c(ncnc21)N[*:1]
O=C(C[NH2+][C@H](C1CCCC1)C(F)(F)F)Nc1ccc2c(c1)OCCCO2 C1CCC(C1)[*:1] O=C(C[NH2+][C@H](C(F)(F)F)[*:1])Nc1ccc2OCCCOc2c1
O=C(C[NH2+][C@H](C1CCCC1)C(F)(F)F)Nc1ccc2c(c1)OCCCO2 FC(F)(F)[*:1] O=C(C[NH2+][C@H](C1CCCC1)[*:1])Nc1ccc2OCCCOc2c1
CC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 CC(=O)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)N[*:1]
COc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC N#Cc1cccc(c1)C[*:1] COc1ccc(cc1OC)C(=O)Nc1cccc(c1)O[*:1]
COc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC N#Cc1cccc(c1)[*:1] COc1ccc(cc1OC)C(=O)Nc1cccc(c1)OC[*:1]
O=C(NCCC1=CCOCC1)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] O=C(NCCC1=CCOCC1)Nc1c[nH]nc1[*:1]
Cc1nc(Cl)sc1C(=O)N[C@@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 Cc1nc(Cl)sc1[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C[C@H](C)NC(=O)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 c1ccc(cc1)C[*:1] C[C@H]1Cc2ccccc2N1C(=O)c1ccc(nn1)N1CCC(CC1)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 c1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)c1ccc(nn1)N1CCC(CC1)C[*:1]
CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCC[C@H]4CC)ncn3n2)cc1 CCc1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)Cn1ncn2nc(cc2c1=O)[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N(C)[C@@H](C)c2cccnc2)c1 c1cncc(c1)[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)NC(=O)N(C)[C@@H](C)[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N(C)[C@@H](C)c2cccnc2)c1 CO[C@H](C)C(=O)N[*:1] C[C@@H](c1cccnc1)N(C)C(=O)Nc1cccc(c1)[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N(C)[C@@H](C)c2cccnc2)c1 C[C@@H](c1cccnc1)[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)NC(=O)N(C)[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N(C)[C@@H](C)c2cccnc2)c1 CO[C@H](C)[*:1] C[C@@H](c1cccnc1)N(C)C(=O)Nc1cccc(c1)NC(=O)[*:1]
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O c1csc(c1)[*:1] C[C@@]1(NC(=O)N(Cc2coc(n2)[*:1])C1=O)c1ccc2CCCc2c1
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O c1cc2CCCc2cc1[*:1] C[C@@]1(NC(=O)N(Cc2coc(n2)-c2cccs2)C1=O)[*:1]
O=C(Cc1cccs1)N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 C1CO[C@@H](C1)C[*:1] O=C(Cc1cccs1)N(c1nc2c(F)cc(F)cc2s1)[*:1]
O=C(Cc1cccs1)N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 c1csc(c1)C[*:1] O=C(N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1)[*:1]
O=C(Cc1cccs1)N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 c1csc(c1)[*:1] O=C(C[*:1])N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1
COc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1]
COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1[N+](=O)[O-] O=C(N[*:1])c1ccco1 COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(c(Cl)c1)[*:1]
COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1[N+](=O)[O-] c1coc(c1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)[*:1])c(Cl)c1
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccn1 C[C@@H](c1ccccn1)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NC1CC1
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccn1 O=S(=O)(NC1CC1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccccn1
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccn1 C1CC1[*:1] C[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1])c1ccccn1
C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
CCc1ccc([C@H](NC(=O)NC[C@H](O)c2ccco2)C(C)(C)C)o1 c1coc(c1)[*:1] CCc1ccc(o1)[C@H](NC(=O)NC[C@H](O)[*:1])C(C)(C)C
CCc1ccc([C@H](NC(=O)NC[C@H](O)c2ccco2)C(C)(C)C)o1 O[C@H](c1ccco1)[*:1] CCc1ccc(o1)[C@H](NC(=O)NC[*:1])C(C)(C)C
CCc1ccc([C@H](NC(=O)NC[C@H](O)c2ccco2)C(C)(C)C)o1 CCc1ccc(o1)[*:1] CC(C)(C)[C@@H](NC(=O)NC[C@H](O)c1ccco1)[*:1]
CCc1ccc([C@H](NC(=O)NC[C@H](O)c2ccco2)C(C)(C)C)o1 CC(C)(C)[*:1] CCc1ccc(o1)[C@H](NC(=O)NC[C@H](O)c1ccco1)[*:1]
CCc1ccc([C@H](NC(=O)NC[C@H](O)c2ccco2)C(C)(C)C)o1 O[C@@H](C[*:1])c1ccco1 CCc1ccc(o1)[C@H](NC(=O)N[*:1])C(C)(C)C
CCc1ccsc1CNC(=O)CCCl ClCC[*:1] CCc1ccsc1CNC(=O)[*:1]
CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2ccc(C(C)C)cc2)c(=O)n1C1CC1 C1CC1[*:1] CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2ccc(cc2)C(C)C)c(=O)n1[*:1]
CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2ccc(C(C)C)cc2)c(=O)n1C1CC1 CC(C)[*:1] CC(C)c1ccc(/C=c2\s/c(=C(\C#N)C(=O)[*:1])n(c2=O)C2CC2)cc1
CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2ccc(C(C)C)cc2)c(=O)n1C1CC1 CC(C)c1ccc(cc1)[*:1] CC(C)C(=O)/C(C#N)=c1/sc(=C[*:1])c(=O)n1C1CC1
CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2ccc(C(C)C)cc2)c(=O)n1C1CC1 CC(C)[*:1] CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2ccc(cc2)[*:1])c(=O)n1C1CC1
CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2ccc(C(C)C)cc2)c(=O)n1C1CC1 CC(C)C(=O)[*:1] CC(C)c1ccc(/C=c2\sc(=C(C#N)[*:1])n(c2=O)C2CC2)cc1
Cc1nnc(CN(C)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)n1C Cc1nnc(C[*:1])n1C CN(C(=O)N[C@@H]1CCN(C1)c1cccc(Cl)c1)[*:1]
Cc1nnc(CN(C)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)n1C Clc1cccc(c1)[*:1] Cc1nnc(CN(C)C(=O)N[C@@H]2CCN(C2)[*:1])n1C
Cc1nnc(CN(C)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)n1C Cc1nnc(n1C)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCN(C1)c1cccc(Cl)c1
CCO/C=N/Nc1nc(C(F)(F)F)nc2c1cnn2-c1ccccc1 FC(F)(F)[*:1] CCO/C=N/Nc1nc(nc2c1cnn2-c1ccccc1)[*:1]
CCO/C=N/Nc1nc(C(F)(F)F)nc2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] CCO/C=N/Nc1nc(nc2c1cnn2[*:1])C(F)(F)F
CCO/C=N/Nc1nc(C(F)(F)F)nc2c1cnn2-c1ccccc1 CCO/C=N/N[*:1] FC(F)(F)c1nc(c2cnn(-c3ccccc3)c2n1)[*:1]
CC(C)(C)C(=O)NC[C@@H]1Cc2cc(C(C)(C)C)ccc2O1 CC(C)(C)C(=O)N[*:1] CC(C)(C)c1ccc2O[C@@H](Cc2c1)C[*:1]
CC(C)(C)C(=O)NC[C@@H]1Cc2cc(C(C)(C)C)ccc2O1 CC(C)(C)[*:1] CC(C)(C)C(=O)NC[C@@H]1Cc2cc(ccc2O1)[*:1]
CC(C)(C)C(=O)NC[C@@H]1Cc2cc(C(C)(C)C)ccc2O1 CC(C)(C)[*:1] CC(C)(C)c1ccc2O[C@H](CNC(=O)[*:1])Cc2c1
Brc1cn2c(C[NH2+]CC[C@H]3CCCO3)cnc2cn1 C1CO[C@H](C1)[*:1] Brc1cn2c(cnc2cn1)C[NH2+]CC[*:1]
Brc1cn2c(C[NH2+]CC[C@H]3CCCO3)cnc2cn1 C1CO[C@H](C1)C[*:1] Brc1cn2c(cnc2cn1)C[NH2+]C[*:1]
COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cn1 Cc1ccc(cc1)[*:1] COc1ccc(cn1)NC(=O)[C@@H](C)O[*:1]
CC/[NH+]=C(/NCC#Cc1cccc(C(F)(F)F)c1)NC1CCC(O)CC1 FC(F)(F)[*:1] CC/[NH+]=C(/NCC#Cc1cccc(c1)[*:1])NC1CCC(O)CC1
CC/[NH+]=C(/NCC#Cc1cccc(C(F)(F)F)c1)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] CC/[NH+]=C(/NCC#Cc1cccc(c1)C(F)(F)F)N[*:1]
CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc2[nH]c(C)cc2c1 CCC(=O)N[*:1] CSCC[C@H](C(=O)Nc1ccc2[nH]c(C)cc2c1)[*:1]
CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc2[nH]c(C)cc2c1 CSC[*:1] CCC(=O)N[C@H](C[*:1])C(=O)Nc1ccc2[nH]c(C)cc2c1
CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc2[nH]c(C)cc2c1 CSCC[*:1] CCC(=O)N[C@H](C(=O)Nc1ccc2[nH]c(C)cc2c1)[*:1]
CCOC(=O)C1=C2SC(C(=O)OC)=CC(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 COC(=O)[*:1] CCOC(=O)C1=C2SC(=CC(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(cc1)OC)[*:1]
CCOC(=O)C1=C2SC(C(=O)OC)=CC(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 CCOC(=O)[*:1] COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@@H](C(=C2S1)[*:1])c1ccc(cc1)OC
CCOC(=O)C1=C2SC(C(=O)OC)=CC(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCOC(=O)C1=C2SC(=CC(=O)N2C(N)=C(C#N)[C@H]1[*:1])C(=O)OC
CC(=O)c1ccc(NC(=O)[C@H](SCc2ccco2)C(C)C)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](SCc1ccco1)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](SCc2ccco2)C(C)C)cc1 CC(=O)[*:1] CC(C)[C@@H](SCc1ccco1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](SCc2ccco2)C(C)C)cc1 c1coc(c1)CS[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](C(C)C)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](SCc2ccco2)C(C)C)cc1 c1coc(c1)C[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](S[*:1])C(C)C
CC(=O)c1ccc(NC(=O)[C@H](SCc2ccco2)C(C)C)cc1 c1coc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](SC[*:1])C(C)C
CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(CC1)[*:1]
CC(C)[NH+](CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(C)C CC(C)[*:1] CC(C)[NH+](CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[*:1]
C[NH+]1CCN(c2ncccc2CNC(=O)C2(C(N)=O)CC2)CC1 NC(=O)C1(CC1)[*:1] C[NH+]1CCN(CC1)c1ncccc1CNC(=O)[*:1]
C[NH+]1CCN(c2ncccc2CNC(=O)C2(C(N)=O)CC2)CC1 NC(=O)[*:1] C[NH+]1CCN(CC1)c1ncccc1CNC(=O)C1(CC1)[*:1]
CC(C)c1nc2cc(N[C@@H](C)c3nnc(-c4ccccc4)o3)ccc2o1 c1ccc(cc1)[*:1] CC(C)c1nc2cc(ccc2o1)N[C@@H](C)c1nnc(o1)[*:1]
CC(C)c1nc2cc(N[C@@H](C)c3nnc(-c4ccccc4)o3)ccc2o1 CC(C)[*:1] C[C@H](Nc1ccc2oc(nc2c1)[*:1])c1nnc(o1)-c1ccccc1
Cc1cccc(O[C@@H](C)CNC(=O)Nc2cnn(CC(F)F)c2)c1 FC(F)C[*:1] Cc1cccc(c1)O[C@@H](C)CNC(=O)Nc1cnn(c1)[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)Nc2cnn(CC(F)F)c2)c1 FC(F)[*:1] Cc1cccc(c1)O[C@@H](C)CNC(=O)Nc1cnn(c1)C[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)Nc2cnn(CC(F)F)c2)c1 Cc1cccc(c1)O[*:1] C[C@@H](CNC(=O)Nc1cnn(c1)CC(F)F)[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)Nc2cnn(CC(F)F)c2)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)Nc1cnn(c1)CC(F)F)O[*:1]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccncc4)[C@H]3c3ccc(O)cc3)ccc2O1 Oc1ccc(cc1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(Cc2ccncc2)[C@@H]1[*:1]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccncc4)[C@H]3c3ccc(O)cc3)ccc2O1 c1cc(ccn1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(O)cc1
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccncc4)[C@H]3c3ccc(O)cc3)ccc2O1 c1cc(ccn1)C[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(O)cc1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)OCc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)OCc1nnnn1-c1ccccc1
C[C@@H](Oc1ccccc1)C(=O)OCc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1)C(=O)OCc1nnnn1[*:1]
C[C@@H](Oc1ccccc1)C(=O)OCc1nnnn1-c1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)OCc1nnnn1-c1ccccc1)[*:1]
O=[N+]([O-])c1cccc2c1CCN(Cc1ccc(-c3cccnc3)o1)C2 c1cncc(c1)[*:1] O=[N+]([O-])c1cccc2CN(CCc21)Cc1ccc(o1)[*:1]
O=[N+]([O-])c1cccc2c1CCN(Cc1ccc(-c3cccnc3)o1)C2 O=[N+]([O-])[*:1] c1cncc(c1)-c1ccc(CN2CCc3c(cccc3[*:1])C2)o1
CC(C)(C)c1cc(C(=O)N2CCC(c3c(S(C)(=O)=O)cnc4ncnn34)CC2)[nH]n1 CS(=O)(=O)[*:1] CC(C)(C)c1cc([nH]n1)C(=O)N1CCC(CC1)c1c(cnc2ncnn12)[*:1]
CC(C)(C)c1cc(C(=O)N2CCC(c3c(S(C)(=O)=O)cnc4ncnn34)CC2)[nH]n1 CC(C)(C)c1cc([nH]n1)[*:1] CS(=O)(=O)c1cnc2ncnn2c1C1CCN(CC1)C(=O)[*:1]
CC(C)(C)c1cc(C(=O)N2CCC(c3c(S(C)(=O)=O)cnc4ncnn34)CC2)[nH]n1 CC(C)(C)[*:1] CS(=O)(=O)c1cnc2ncnn2c1C1CCN(CC1)C(=O)c1cc(n[nH]1)[*:1]
CCCCn1c(S(=O)(=O)Cc2nc(-c3cccs3)no2)nc(C)c1C CCC[*:1] Cc1nc(n(C[*:1])c1C)S(=O)(=O)Cc1nc(no1)-c1cccs1
CCCCn1c(S(=O)(=O)Cc2nc(-c3cccs3)no2)nc(C)c1C CCCC[*:1] Cc1nc(n(c1C)[*:1])S(=O)(=O)Cc1nc(no1)-c1cccs1
CCCCn1c(S(=O)(=O)Cc2nc(-c3cccs3)no2)nc(C)c1C c1csc(c1)[*:1] CCCCn1c(nc(C)c1C)S(=O)(=O)Cc1nc(no1)[*:1]
Cc1nc(C)c(C(=O)NCC2CCC(c3nc(C(C)C)ncc3-c3ccncc3)CC2)o1 Cc1nc(C)c(o1)[*:1] CC(C)c1ncc(-c2ccncc2)c(n1)C1CCC(CC1)CNC(=O)[*:1]
Cc1nc(C)c(C(=O)NCC2CCC(c3nc(C(C)C)ncc3-c3ccncc3)CC2)o1 CC(C)[*:1] Cc1nc(C)c(o1)C(=O)NCC1CCC(CC1)c1nc(ncc1-c1ccncc1)[*:1]
Cc1nc(C)c(C(=O)NCC2CCC(c3nc(C(C)C)ncc3-c3ccncc3)CC2)o1 c1cc(ccn1)[*:1] Cc1nc(C)c(o1)C(=O)NCC1CCC(CC1)c1nc(ncc1[*:1])C(C)C
Cc1nc(C)c(C(=O)NCC2CCC(c3nc(C(C)C)ncc3-c3ccncc3)CC2)o1 Cc1nc(C)c(o1)C(=O)N[*:1] CC(C)c1ncc(-c2ccncc2)c(n1)C1CCC(CC1)C[*:1]
Cc1cc(Oc2ccc(C=O)cc2[N+](=O)[O-])nc(-c2ccccn2)n1 O=[N+]([O-])[*:1] Cc1cc(nc(n1)-c1ccccn1)Oc1ccc(C=O)cc1[*:1]
Cc1cc(Oc2ccc(C=O)cc2[N+](=O)[O-])nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(nc(n1)[*:1])Oc1ccc(C=O)cc1[N+](=O)[O-]
CCOC(=O)c1ccc(CSc2nc(-c3cccnc3)n[nH]2)o1 CCOC(=O)[*:1] c1cncc(c1)-c1n[nH]c(n1)SCc1ccc(o1)[*:1]
CCOC(=O)c1ccc(CSc2nc(-c3cccnc3)n[nH]2)o1 c1cncc(c1)[*:1] CCOC(=O)c1ccc(CSc2nc(n[nH]2)[*:1])o1
COc1sc(C[NH+](C)CC(=O)Nc2cc(C)ccn2)cc1Br Cc1ccnc(c1)[*:1] COc1sc(cc1Br)C[NH+](C)CC(=O)N[*:1]
COc1ccc(C(=O)Nc2cc(C(=O)N(C)C)cn(C)c2=O)cc1OC CN(C)C(=O)[*:1] COc1ccc(cc1OC)C(=O)Nc1cc(cn(C)c1=O)[*:1]
CCOC(=O)CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(F)cc1 CCOC(=O)[*:1] O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N(C[*:1])c1ccc(F)cc1
CCOC(=O)CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[*:1]
CCOC(=O)CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(F)cc1 CCOC(=O)C[*:1] O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N(c1ccc(F)cc1)[*:1]
CCOC(=O)CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccc(F)cc1 O=[N+]([O-])[*:1] CCOC(=O)CN(C(=O)[C@@H]1C[C@H]1[*:1])c1ccc(F)cc1
CC[NH+]1CCN(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)CC1 Cn1ccnc1[*:1] CC[NH+]1CCN(CC1)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC[NH+]1CCN(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)CC1 Fc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)C(=O)N[C@H](c1nccn1C)[*:1]
CCOC(=O)/C=C\S(=O)(=O)c1ccc(Cl)cc1 CCOC(=O)[*:1] O=S(=O)(C=C[*:1])c1ccc(Cl)cc1
O=C(Cc1cc(-c2ccc(Cl)cc2)on1)Nc1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] O=C(Cc1cc(on1)[*:1])Nc1ccc2OCOc2c1
COc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3nccs3)C2=O)cc1OC O=C(C[*:1])Nc1nccs1 COc1ccc(/C=C2\NC(=O)N(C2=O)[*:1])cc1OC
COc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3nccs3)C2=O)cc1OC O=C(Nc1nccs1)[*:1] COc1ccc(/C=C2\NC(=O)N(C[*:1])C2=O)cc1OC
COc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3nccs3)C2=O)cc1OC c1csc(n1)[*:1] COc1ccc(/C=C2\NC(=O)N(CC(=O)N[*:1])C2=O)cc1OC
CC1CCN(c2cc(NC(=O)C3CCN(c4ccc(-n5cccn5)nn4)CC3)ncn2)CC1 CC1CCN(CC1)[*:1] O=C(Nc1cc(ncn1)[*:1])C1CCN(CC1)c1ccc(nn1)-n1cccn1
CC1CCN(c2cc(NC(=O)C3CCN(c4ccc(-n5cccn5)nn4)CC3)ncn2)CC1 c1cnn(c1)[*:1] CC1CCN(CC1)c1cc(ncn1)NC(=O)C1CCN(CC1)c1ccc(nn1)[*:1]
CC1CCN(c2cc(NC(=O)C3CCN(c4ccc(-n5cccn5)nn4)CC3)ncn2)CC1 c1cnn(c1)-c1ccc(nn1)[*:1] CC1CCN(CC1)c1cc(ncn1)NC(=O)C1CCN(CC1)[*:1]
CCN(CC[NH+](C)C)Cc1cc2cc(C)ccc2[nH+]c1N1CCC[C@H](O)C1 O[C@H]1CCCN(C1)[*:1] CCN(CC[NH+](C)C)Cc1cc2cc(C)ccc2[nH+]c1[*:1]
Cc1ccc(NNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)n[nH+]1 CC(C)(C)[*:1] Cc1ccc(n[nH+]1)NNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
Nc1ccc(C(=O)N[C@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ccc(cc1[*:1])C(=O)N[C@H]1CCCc2ccc(F)cc21
COC(=O)[C@@H](c1cccc(Br)c1)N(C)CC1=CCCOC1 COC(=O)[*:1] CN(CC1=CCCOC1)[C@H](c1cccc(Br)c1)[*:1]
COC(=O)[C@@H](c1cccc(Br)c1)N(C)CC1=CCCOC1 Brc1cccc(c1)[*:1] COC(=O)[C@@H](N(C)CC1=CCCOC1)[*:1]
O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[nH]1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=c1[nH]c(nc([O-])c1-c1ccccc1)SC[*:1]
O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[nH]1)NC1CCCC1 c1ccc(cc1)[*:1] O=C(CSc1nc([O-])c(c(=O)[nH]1)[*:1])NC1CCCC1
O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[nH]1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[nH]1)N[*:1]
CC(C)c1ccsc1C(=O)N1CCN(c2ncccc2C#N)CC1 CC(C)c1ccsc1[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)[*:1]
CC(C)c1ccsc1C(=O)N1CCN(c2ncccc2C#N)CC1 N#Cc1cccnc1[*:1] CC(C)c1ccsc1C(=O)N1CCN(CC1)[*:1]
CC(C)c1ccsc1C(=O)N1CCN(c2ncccc2C#N)CC1 CC(C)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)c1sccc1[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(-c2ccccc2)cc1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)c1ccc(cc1)-c1ccccc1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
C[C@H](NC(N)=O)C(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](NC(N)=O)C(=O)N(C1CC1)[C@@H](C)c1cccc(c1)[*:1]
C[C@H](NC(N)=O)C(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 NC(=O)N[*:1] C[C@@H](c1cccc(c1)C(F)(F)F)N(C(=O)[C@@H](C)[*:1])C1CC1
C[C@H](NC(N)=O)C(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 C1CC1[*:1] C[C@H](NC(N)=O)C(=O)N([C@@H](C)c1cccc(c1)C(F)(F)F)[*:1]
C[C@H](NC(N)=O)C(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 C[C@H](NC(N)=O)[*:1] C[C@@H](c1cccc(c1)C(F)(F)F)N(C(=O)[*:1])C1CC1
C[C@H](NC(=O)c1ccnc(Cl)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 Clc1cc(ccn1)[*:1] C[C@H](NC(=O)[*:1])c1cc(F)ccc1N1CC[NH+](C)CC1
C[C@H](CC(=O)NC[C@](C)(O)c1cccs1)Cc1ccc(Cl)cc1 c1csc(c1)[*:1] C[C@H](CC(=O)NC[C@](C)(O)[*:1])Cc1ccc(Cl)cc1
C[C@H](CC(=O)NC[C@](C)(O)c1cccs1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)NC[C@](C)(O)c1cccs1)C[*:1]
O=C([C@H]1CCCC[C@H]1C(F)(F)F)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@H]1CCCC[C@H]1C(F)(F)F)N1CCC(CC1)OC[*:1]
O=C([C@H]1CCCC[C@H]1C(F)(F)F)N1CCC(OCc2ccc(F)cc2)CC1 FC(F)(F)[*:1] O=C([C@H]1CCCC[C@@H]1[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C([C@H]1CCCC[C@H]1C(F)(F)F)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C([C@H]1CCCC[C@H]1C(F)(F)F)N1CCC(CC1)O[*:1]
O=C([C@H]1CCCC[C@H]1C(F)(F)F)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C([C@H]1CCCC[C@H]1C(F)(F)F)N1CCC(CC1)[*:1]
CCO[C@@H](C)C(=O)OCc1ncc(-c2ccc(F)cc2)o1 CCO[*:1] C[C@@H](C(=O)OCc1ncc(o1)-c1ccc(F)cc1)[*:1]
CCO[C@@H](C)C(=O)OCc1ncc(-c2ccc(F)cc2)o1 CCO[C@@H](C)[*:1] O=C(OCc1ncc(o1)-c1ccc(F)cc1)[*:1]
CCO[C@@H](C)C(=O)OCc1ncc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] CCO[C@@H](C)C(=O)OCc1ncc(o1)[*:1]
CC(=O)N[C@@H](Cc1c(C)[nH]c2ccccc2c1=O)C(=O)[O-] CC(=O)N[*:1] Cc1[nH]c2ccccc2c(=O)c1C[C@@H](C(=O)[O-])[*:1]
CC(=O)N[C@@H](Cc1c(C)[nH]c2ccccc2c1=O)C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H](Cc1c(C)[nH]c2ccccc2c1=O)[*:1]
CCc1oc2ccccc2c1/C=C/C(=O)NCc1ccc[nH]1 c1c[nH]c(c1)C[*:1] CCc1oc2ccccc2c1/C=C/C(=O)N[*:1]
CCc1oc2ccccc2c1/C=C/C(=O)NCc1ccc[nH]1 c1c[nH]c(c1)[*:1] CCc1oc2ccccc2c1/C=C/C(=O)NC[*:1]
CC1(C)Cc2sc3c(=O)n(Cc4ccccc4)cnc3c2CO1 c1ccc(cc1)C[*:1] CC1(C)Cc2sc3c(=O)n(cnc3c2CO1)[*:1]
CC1(C)Cc2sc3c(=O)n(Cc4ccccc4)cnc3c2CO1 c1ccc(cc1)[*:1] CC1(C)Cc2sc3c(=O)n(cnc3c2CO1)C[*:1]
Cc1nc(CN2CCSC[C@@H]2c2ccccc2)cs1 Cc1nc(cs1)[*:1] c1ccc(cc1)[C@H]1CSCCN1C[*:1]
Cc1nc(CN2CCSC[C@@H]2c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CN1CCSC[C@H]1[*:1]
C[C@@H]1CCN(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)C[C@@H]1O Clc1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCC1(CCOCC1)[*:1]
COc1cc(C)cc(C(=O)Nc2ccccc2-c2nncn2C(C)C)c1O CC(C)n1cnnc1[*:1] COc1cc(C)cc(C(=O)Nc2ccccc2[*:1])c1O
COc1cc(C)cc(C(=O)Nc2ccccc2-c2nncn2C(C)C)c1O CC(C)[*:1] COc1cc(C)cc(C(=O)Nc2ccccc2-c2nncn2[*:1])c1O
Cc1ccccc1[C@H](C)NC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 CC(C)[*:1] Cc1ccccc1[C@H](C)NC(=O)N1CCC(CC1)C(=O)N(C)[*:1]
Cc1ccccc1[C@H](C)NC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 Cc1ccccc1[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)N[C@@H](C)[*:1]
Cc1ccccc1[C@H](C)NC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 CC(C)N(C)C(=O)[*:1] Cc1ccccc1[C@H](C)NC(=O)N1CCC(CC1)[*:1]
Cc1nc(-c2c[nH]c(C(=O)Nc3ccn(Cc4ccccc4)n3)c2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1ccn(Cc2ccccc2)n1)c1cc(c[nH]1)[*:1]
Cc1nc(-c2c[nH]c(C(=O)Nc3ccn(Cc4ccccc4)n3)c2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)Nc1ccn(C[*:1])n1
Cc1nc(-c2c[nH]c(C(=O)Nc3ccn(Cc4ccccc4)n3)c2)cs1 c1ccc(cc1)C[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)Nc1ccn(n1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)NCC1(CCN(C)CC1)[NH+]1CCCCC1
CCN(C[C@H]1CCOC1)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 C1C[C@@H](CO1)C[*:1] CCN(C(=O)NCC1(CCN(C)CC1)[NH+]1CCCCC1)[*:1]
CC[C@@H](COC)n1c([C@@H](C)Cl)nc2cc(C)cnc21 C[C@@H](Cl)[*:1] CC[C@@H](COC)n1c(nc2cc(C)cnc21)[*:1]
CC[C@@H](COC)n1c([C@@H](C)Cl)nc2cc(C)cnc21 CC[C@@H](COC)[*:1] Cc1cnc2c(c1)nc([C@@H](C)Cl)n2[*:1]
CC[C@@H](COC)n1c([C@@H](C)Cl)nc2cc(C)cnc21 COC[*:1] CC[C@@H](n1c(nc2cc(C)cnc21)[C@@H](C)Cl)[*:1]
COc1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(n[nH]1)[*:1]
COc1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1cc(n[nH]1)-c1ccccc1)[*:1]
C[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 O=C([O-])[*:1] C[C@]1(CCCN(C1)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[*:1]
CC[NH+](CC(=O)NCC(C)C)CC1CC[NH2+]CC1 CC(C)C[*:1] CC[NH+](CC(=O)N[*:1])CC1CC[NH2+]CC1
CC[NH+](CC(=O)NCC(C)C)CC1CC[NH2+]CC1 CC(C)[*:1] CC[NH+](CC(=O)NC[*:1])CC1CC[NH2+]CC1
CC[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1nc(cs1)[*:1]
CC[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 O=[N+]([O-])[*:1] CC[C@@H](Nc1cccc(F)c1[*:1])c1nc(cs1)C(F)(F)F
C[C@@H]([NH3+])c1cc(Br)ccc1OC/C(Cl)=C/Cl Cl/C=C(\Cl)C[*:1] C[C@@H]([NH3+])c1cc(Br)ccc1O[*:1]
C[C@@H]([NH3+])c1cc(Br)ccc1OC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] C[C@@H]([NH3+])c1cc(Br)ccc1OC[*:1]
Cc1c(C(=O)NCC(=O)N2CCc3ccccc32)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)NCC(=O)N1CCc2ccccc21
CCCN(C(=O)CN1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCN(C(=O)CN1C(=O)N[C@H](CC2C[NH+]=c3ccccc3=2)C1=O)[*:1]
CCCN(C(=O)CN1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C1N[C@H](CC2C[NH+]=c3ccccc3=2)C(=O)N1CC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2-n2cccn2)C1 c1cnn(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)Nc1ccccc1[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2-n2cccn2)C1 CCOC(=O)[*:1] O=C(Nc1ccccc1-n1cccn1)N1CCC[C@@H](C1)[*:1]
Cc1cc(CN2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)no1 Cc1ccc(cc1C)[*:1] Cc1cc(CN2CCN(CC2)C(=O)N[*:1])no1
Cc1cc(CN2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)no1 Cc1cc(no1)[*:1] Cc1ccc(cc1C)NC(=O)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)no1 Cc1cc(C[*:1])no1 Cc1ccc(cc1C)NC(=O)N1CCN(CC1)[*:1]
CCc1onc(C)c1NC(=O)C(C)(C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1onc(C)c1NC(=O)C(C)(C)[*:1]
CCOCc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OC CCO[*:1] COc1ccc(cc1C[*:1])C(=O)Nc1ccc2OCOc2c1
CCOCc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OC CCOC[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc2OCOc2c1
Cc1cc(CN(C)Cc2nc3ccccc3o2)no1 Cc1cc(no1)[*:1] CN(Cc1nc2ccccc2o1)C[*:1]
O=C(c1ccccc1Cl)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O c1coc(c1)C[*:1] O=C(c1ccccc1Cl)N(Cc1cc2ccccc2[nH]c1=O)[*:1]
O=C(c1ccccc1Cl)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O c1coc(c1)[*:1] O=C(c1ccccc1Cl)N(Cc1cc2ccccc2[nH]c1=O)C[*:1]
O=C(c1ccccc1Cl)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O Clc1ccccc1[*:1] O=C(N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O)[*:1]
NC(=O)c1cncc(N(Cc2cccs2)Cc2cccs2)n1 NC(=O)[*:1] c1csc(c1)CN(Cc1cccs1)c1cncc(n1)[*:1]
NC(=O)c1cncc(N(Cc2cccs2)Cc2cccs2)n1 c1csc(c1)[*:1] NC(=O)c1cncc(n1)N(Cc1cccs1)C[*:1]
NC(=O)c1cncc(N(Cc2cccs2)Cc2cccs2)n1 c1csc(c1)C[*:1] NC(=O)c1cncc(n1)N(Cc1cccs1)[*:1]
CCCn1nccc1[C@@H](NC)C(C)(C)[NH+]1CCCC1 CCC[*:1] CN[C@H](c1ccnn1[*:1])C(C)(C)[NH+]1CCCC1
C[C@@H](CCC(C)(C)C)NS(=O)(=O)CC1CCC1 CC(C)(C)C[*:1] C[C@@H](C[*:1])NS(=O)(=O)CC1CCC1
C[C@@H](CCC(C)(C)C)NS(=O)(=O)CC1CCC1 C1CC(C1)[*:1] C[C@@H](CCC(C)(C)C)NS(=O)(=O)C[*:1]
C[C@@H](CCC(C)(C)C)NS(=O)(=O)CC1CCC1 C1CC(C1)C[*:1] C[C@@H](CCC(C)(C)C)NS(=O)(=O)[*:1]
C[C@@H](CCC(C)(C)C)NS(=O)(=O)CC1CCC1 CC(C)(C)[*:1] C[C@@H](CC[*:1])NS(=O)(=O)CC1CCC1
O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)c3cccc(F)c3)cc21 Fc1cccc(c1)[*:1] O=C1Nc2ccccc2Oc2ccc(cc21)NS(=O)(=O)[*:1]
CN1CCC[C@]2(CCN(C(=O)CCN(C)S(C)(=O)=O)C2)C1=O CN(S(C)(=O)=O)[*:1] CN1CCC[C@]2(CCN(C2)C(=O)CC[*:1])C1=O
CN1CCC[C@]2(CCN(C(=O)CCN(C)S(C)(=O)=O)C2)C1=O CN(C[*:1])S(C)(=O)=O CN1CCC[C@]2(CCN(C2)C(=O)C[*:1])C1=O
Cc1ccccc1-n1cc(C(=O)N(Cc2ccccc2)[C@H](C)CCO)cn1 Cc1ccccc1[*:1] C[C@H](CCO)N(Cc1ccccc1)C(=O)c1cnn(c1)[*:1]
Cc1ccccc1-n1cc(C(=O)N(Cc2ccccc2)[C@H](C)CCO)cn1 OCC[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N(Cc1ccccc1)[C@H](C)[*:1]
Cc1ccccc1-n1cc(C(=O)N(Cc2ccccc2)[C@H](C)CCO)cn1 c1ccc(cc1)[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N(C[*:1])[C@H](C)CCO
Cc1ccccc1-n1cc(C(=O)N(Cc2ccccc2)[C@H](C)CCO)cn1 c1ccc(cc1)C[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N([C@H](C)CCO)[*:1]
Cc1ccnn1CC(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 Cc1ccnn1C[*:1] O=C(N1CCC[C@@H]1c1nc(no1)-c1ccccn1)[*:1]
Cc1ccnn1CC(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 Cc1ccnn1[*:1] O=C(C[*:1])N1CCC[C@@H]1c1nc(no1)-c1ccccn1
Cc1ccnn1CC(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 c1ccc(nc1)[*:1] Cc1ccnn1CC(=O)N1CCC[C@@H]1c1nc(no1)[*:1]
CC[NH2+][C@H](C)c1ccc(Sc2nncn2C)cc1 Cn1cnnc1[*:1] CC[NH2+][C@H](C)c1ccc(cc1)S[*:1]
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)c1cc(F)c(F)cc1Cl O=C([O-])[*:1] O=C(c1cc(F)c(F)cc1Cl)N1C[C@H](O)C[C@@H]1[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)CN1CCOCC1 C1CN(CCO1)[*:1] CCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)C[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)CN1CCOCC1 C1CN(CCO1)C[*:1] CCc1nn(C)c2c1[nH]c(=S)n2[C@@H](C)[*:1]
NC(=S)N/N=C\CC(O)(C(F)(F)Cl)C(F)(F)Cl FC(F)(Cl)[*:1] NC(=S)N/N=C\CC(O)(C(F)(F)Cl)[*:1]
CN(C(=O)c1cn(C)nc1C(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1cn(C)nc1C(C)(C)C)[*:1]
CN(C(=O)c1cn(C)nc1C(C)(C)C)c1ccccc1 CC(C)(C)[*:1] CN(C(=O)c1cn(C)nc1[*:1])c1ccccc1
CC[NH2+]CCSCC[NH+](C)C CC[NH2+][*:1] C[NH+](C)CCSCC[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)C1 CCOC(=O)[*:1] C[C@H](NC(=O)N1CCC[C@@H](C1)[*:1])c1ccc(cc1)-n1cccn1
CCOC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)C1 c1cnn(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
COc1ccc(C[NH2+]C2CCCC2)cc1F C1CCC(C1)[*:1] COc1ccc(cc1F)C[NH2+][*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 C[C@H]1CCCCN1S(=O)(=O)[*:1] O=C(NCc1ccc([nH+]c1)N1CCOCC1)c1ccc(cc1)[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 C1CN(CCO1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc([nH+]c1)[*:1]
O=S(=O)(NC1CCCCC1)C1=CC=C[C@H]2NSN[C@@H]12 C1CCC(CC1)[*:1] O=S(=O)(N[*:1])C1=CC=C[C@H]2NSN[C@@H]12
NC(=O)[C@@H](CNC(=O)Cc1ccccc1F)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] NC(=O)[C@@H](CNC(=O)Cc1ccccc1F)[*:1]
NC(=O)[C@@H](CNC(=O)Cc1ccccc1F)Cc1ccc(F)cc1 Fc1ccccc1C[*:1] NC(=O)[C@@H](CNC(=O)[*:1])Cc1ccc(F)cc1
NC(=O)[C@@H](CNC(=O)Cc1ccccc1F)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@@H](CNC(=O)Cc1ccccc1F)C[*:1]
NC(=O)[C@@H](CNC(=O)Cc1ccccc1F)Cc1ccc(F)cc1 Fc1ccccc1[*:1] NC(=O)[C@@H](CNC(=O)C[*:1])Cc1ccc(F)cc1
NC(=O)[C@@H](CNC(=O)Cc1ccccc1F)Cc1ccc(F)cc1 NC(=O)[*:1] O=C(Cc1ccccc1F)NC[C@@H](Cc1ccc(F)cc1)[*:1]
COc1cc(NC(=O)CC(C)C)ccc1NC(=O)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)CC(C)C
COc1cc(NC(=O)CC(C)C)ccc1NC(=O)c1cc2ccccc2o1 CC(C)[*:1] COc1cc(ccc1NC(=O)c1cc2ccccc2o1)NC(=O)C[*:1]
COc1cc(NC(=O)CC(C)C)ccc1NC(=O)c1cc2ccccc2o1 CC(C)CC(=O)N[*:1] COc1cc(ccc1NC(=O)c1cc2ccccc2o1)[*:1]
COc1cc(NC(=O)CC(C)C)ccc1NC(=O)c1cc2ccccc2o1 CC(C)C[*:1] COc1cc(ccc1NC(=O)c1cc2ccccc2o1)NC(=O)[*:1]
CC(C)C[NH2+][C@H](C)CCCC(C)(C)O CC(C)(O)[*:1] CC(C)C[NH2+][C@H](C)CCC[*:1]
CC(C)C[NH2+][C@H](C)CCCC(C)(C)O CC(C)[*:1] C[C@H](CCCC(C)(C)O)[NH2+]C[*:1]
CC(C)C[NH2+][C@H](C)CCCC(C)(C)O CC(C)C[*:1] C[C@H](CCCC(C)(C)O)[NH2+][*:1]
CCN(Cc1cnc(C(C)(C)C)s1)C[C@H](C)C#N CC(C)(C)[*:1] CCN(Cc1cnc(s1)[*:1])C[C@H](C)C#N
CCN(Cc1cnc(C(C)(C)C)s1)C[C@H](C)C#N C[C@H](C#N)[*:1] CCN(Cc1cnc(s1)C(C)(C)C)C[*:1]
CCN(Cc1cnc(C(C)(C)C)s1)C[C@H](C)C#N C[C@H](C#N)C[*:1] CCN(Cc1cnc(s1)C(C)(C)C)[*:1]
c1ccc(C[C@H]2CCCN(c3ccncn3)C2)nc1 c1ccc(nc1)[*:1] c1cc(ncn1)N1CCC[C@@H](C1)C[*:1]
c1ccc(C[C@H]2CCCN(c3ccncn3)C2)nc1 c1cc(ncn1)[*:1] c1ccc(C[C@H]2CCCN(C2)[*:1])nc1
COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)CO[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)COc1ccc(Cl)cc1)[*:1]
CC(C)(C)OC(=O)NCC[C@@H]1CCC[NH2+]1 CC(C)(C)[*:1] O=C(NCC[C@@H]1CCC[NH2+]1)O[*:1]
C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(F)c(F)c1 NC(=O)[*:1] C[C@H](N[C@H](c1ccccc1)[*:1])c1ccc(F)c(F)c1
C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(F)c(F)c1 c1ccc(cc1)[*:1] C[C@H](N[C@H](C(N)=O)[*:1])c1ccc(F)c(F)c1
CCN(C(=O)CNc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 O=C(N1CCCC1)[*:1] CCN(C(=O)CNc1ccc(cc1)[*:1])c1ccccc1
CCN(C(=O)CNc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CNc1ccc(cc1)C(=O)N1CCCC1)[*:1]
CCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Br CCC[*:1] O=C(Nc1cc(ccc1F)[N+](=O)[O-])c1ccc(O[*:1])c(Br)c1
CCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Br O=[N+]([O-])[*:1] CCCOc1ccc(cc1Br)C(=O)Nc1cc(ccc1F)[*:1]
CCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Br CCCO[*:1] O=C(Nc1cc(ccc1F)[N+](=O)[O-])c1ccc(c(Br)c1)[*:1]
O=C(COc1ccccc1F)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 Fc1ccccc1[*:1] O=C(CO[*:1])N(Cc1cccnc1)c1nc2ccc(Br)cc2s1
O=C(COc1ccccc1F)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 c1cncc(c1)[*:1] O=C(COc1ccccc1F)N(C[*:1])c1nc2ccc(Br)cc2s1
O=C(COc1ccccc1F)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 c1cncc(c1)C[*:1] O=C(COc1ccccc1F)N(c1nc2ccc(Br)cc2s1)[*:1]
O=C(COc1ccccc1F)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 Fc1ccccc1O[*:1] O=C(C[*:1])N(Cc1cccnc1)c1nc2ccc(Br)cc2s1
O=C(COc1ccccc1F)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 Fc1ccccc1OC[*:1] O=C(N(Cc1cccnc1)c1nc2ccc(Br)cc2s1)[*:1]
CC(C)[C@@H]1CCCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 CS(=O)(=O)N[*:1] CC(C)[C@@H]1CCCN(CC1)C(=O)c1ccc(C[*:1])o1
CC(C)[C@@H]1CCCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 CS(=O)(=O)NC[*:1] CC(C)[C@@H]1CCCN(CC1)C(=O)c1ccc(o1)[*:1]
CC(C)[C@@H]1CCCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 CC(C)[*:1] CS(=O)(=O)NCc1ccc(o1)C(=O)N1CCC[C@H](CC1)[*:1]
CCN(c1ccccc1)c1ncnc(Nc2ccc(C)cc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CCN(c1ncnc(Nc2ccc(C)cc2)c1[N+](=O)[O-])[*:1]
CCN(c1ccccc1)c1ncnc(Nc2ccc(C)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(c1ccccc1)c1ncnc(Nc2ccc(C)cc2)c1[*:1]
CCN(c1ccccc1)c1ncnc(Nc2ccc(C)cc2)c1[N+](=O)[O-] Cc1ccc(cc1)N[*:1] CCN(c1ccccc1)c1ncnc(c1[N+](=O)[O-])[*:1]
CCN(c1ccccc1)c1ncnc(Nc2ccc(C)cc2)c1[N+](=O)[O-] Cc1ccc(cc1)[*:1] CCN(c1ccccc1)c1ncnc(N[*:1])c1[N+](=O)[O-]
Cc1ccccc1NC(=O)[C@@H]1[C@@H](C)Nc2ncnn2[C@H]1c1cccc(F)c1 Cc1ccccc1[*:1] C[C@H]1Nc2ncnn2[C@@H](c2cccc(F)c2)[C@@H]1C(=O)N[*:1]
Cc1ccccc1NC(=O)[C@@H]1[C@@H](C)Nc2ncnn2[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccccc1NC(=O)[C@@H]1[C@@H](C)Nc2ncnn2[C@@H]1[*:1]
O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCCc1c[nH]c2ccccc12)c1ccc(cc1)O[*:1]
O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(NCCc1c[nH]c2ccccc12)c1ccc(cc1)[*:1]
O=C(CCCNC(=O)N1CSC[C@@H]1C(=O)[O-])NC1CC1 O=C(NC1CC1)[*:1] O=C([O-])[C@H]1CSCN1C(=O)NCCC[*:1]
O=C(CCCNC(=O)N1CSC[C@@H]1C(=O)[O-])NC1CC1 C1CC1[*:1] O=C(CCCNC(=O)N1CSC[C@@H]1C(=O)[O-])N[*:1]
O=C(CCCNC(=O)N1CSC[C@@H]1C(=O)[O-])NC1CC1 O=C([O-])[*:1] O=C(CCCNC(=O)N1CSC[C@H]1[*:1])NC1CC1
COc1ccc(CCNC(=O)Nc2cccc(-n3nc(C)cc3C)c2)cc1OC Cc1cc(C)n(n1)[*:1] COc1ccc(cc1OC)CCNC(=O)Nc1cccc(c1)[*:1]
COC(=O)c1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)ccn1 COC(=O)[*:1] C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccnc(c1)[*:1]
CC[C@@H](C)n1cc(C(=O)NCC(F)(F)F)c(=O)c(C(=O)N2CCCCCC2)c1 FC(F)(F)C[*:1] CC[C@@H](C)n1cc(C(=O)N[*:1])c(=O)c(c1)C(=O)N1CCCCCC1
CC[C@@H](C)n1cc(C(=O)NCC(F)(F)F)c(=O)c(C(=O)N2CCCCCC2)c1 O=C(NCC(F)(F)F)[*:1] CC[C@@H](C)n1cc(C(=O)N2CCCCCC2)c(=O)c(c1)[*:1]
CC[C@@H](C)n1cc(C(=O)NCC(F)(F)F)c(=O)c(C(=O)N2CCCCCC2)c1 O=C(N1CCCCCC1)[*:1] CC[C@@H](C)n1cc(C(=O)NCC(F)(F)F)c(=O)c(c1)[*:1]
CC[C@@H](C)n1cc(C(=O)NCC(F)(F)F)c(=O)c(C(=O)N2CCCCCC2)c1 FC(F)(F)[*:1] CC[C@@H](C)n1cc(C(=O)NC[*:1])c(=O)c(c1)C(=O)N1CCCCCC1
CC(C)CCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C O=C([O-])[*:1] CC(C)CCCNC(=O)N1CC[C@H]([C@H]1C)[*:1]
CC(C)CCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CC(C)C[*:1] C[C@@H]1[C@H](CCN1C(=O)NCC[*:1])C(=O)[O-]
CC(C)CCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CC(C)[*:1] C[C@@H]1[C@H](CCN1C(=O)NCCC[*:1])C(=O)[O-]
CC(C)CCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CC(C)CCC[*:1] C[C@@H]1[C@H](CCN1C(=O)N[*:1])C(=O)[O-]
CC(C)CCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C CC(C)CC[*:1] C[C@@H]1[C@H](CCN1C(=O)NC[*:1])C(=O)[O-]
CC(C)C[C@@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CC(C)C[C@@H](C)[NH2+]CCc1nc(no1)[*:1]
CC(C)C[C@@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 CC(C)[*:1] C[C@H](C[*:1])[NH2+]CCc1nc(no1)-c1ccc(Cl)cc1
CC(C)C[C@@H](C)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 CC(C)C[*:1] C[C@@H]([NH2+]CCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
O=C(NC1CCCCC1)c1cn2c(n1)CN(C(=O)Cc1ccccc1)CC2 C1CCC(CC1)[*:1] O=C(N[*:1])c1cn2CCN(Cc2n1)C(=O)Cc1ccccc1
O=C(NC1CCCCC1)c1cn2c(n1)CN(C(=O)Cc1ccccc1)CC2 c1ccc(cc1)C[*:1] O=C(NC1CCCCC1)c1cn2CCN(Cc2n1)C(=O)[*:1]
O=C(NC1CCCCC1)c1cn2c(n1)CN(C(=O)Cc1ccccc1)CC2 O=C(NC1CCCCC1)[*:1] O=C(Cc1ccccc1)N1CCn2cc(nc2C1)[*:1]
O=C(NC1CCCCC1)c1cn2c(n1)CN(C(=O)Cc1ccccc1)CC2 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)c1cn2CCN(Cc2n1)C(=O)C[*:1]
CCCC(=O)c1ccn(C[C@@H]2Cc3cc(C)ccc3O2)c1 CCC[*:1] Cc1ccc2O[C@@H](Cc2c1)Cn1ccc(c1)C(=O)[*:1]
CCCC(=O)c1ccn(C[C@@H]2Cc3cc(C)ccc3O2)c1 CCCC(=O)[*:1] Cc1ccc2O[C@@H](Cc2c1)Cn1ccc(c1)[*:1]
C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2noc(C(C)(C)C)n2)C1 CC(C)(C)[*:1] C[C@@H]1CC(C)(C)C[C@@](CO)(C1)[NH2+]Cc1noc(n1)[*:1]
O=C([O-])c1nnn(-c2ccc(C(F)(F)F)cc2)c1-c1cccc(Cl)c1 O=C([O-])[*:1] FC(F)(F)c1ccc(cc1)-n1nnc(c1-c1cccc(Cl)c1)[*:1]
O=C([O-])c1nnn(-c2ccc(C(F)(F)F)cc2)c1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C([O-])c1nnn(-c2ccc(cc2)C(F)(F)F)c1[*:1]
O=C([O-])c1nnn(-c2ccc(C(F)(F)F)cc2)c1-c1cccc(Cl)c1 FC(F)(F)[*:1] O=C([O-])c1nnn(-c2ccc(cc2)[*:1])c1-c1cccc(Cl)c1
CC(C)Oc1cccc([C@@H]2CC[C@H](C)[NH2+]C2)c1 CC(C)[*:1] C[C@H]1CC[C@H](C[NH2+]1)c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@@H]2CC[C@H](C)[NH2+]C2)c1 CC(C)O[*:1] C[C@H]1CC[C@H](C[NH2+]1)c1cccc(c1)[*:1]
[NH3+]CCCN1CCCC[C@@H]1CO [NH3+]CC[*:1] OC[C@H]1CCCCN1C[*:1]
[NH3+]CCCN1CCCC[C@@H]1CO [NH3+]CCC[*:1] OC[C@H]1CCCCN1[*:1]
Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2C)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C
Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2C)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)C([O-])=C(C(=O)c2ccc(F)cc2)[C@H]1[*:1]
C[C@H](C(=O)[C@H](C#N)c1ccccn1)c1ccc2c(c1)OCCO2 c1ccc(nc1)[*:1] C[C@H](C(=O)[C@H](C#N)[*:1])c1ccc2OCCOc2c1
c1ccc2c(Oc3ccc(-n4ccnc4)cc3)ncnc2c1 c1cn(cn1)[*:1] c1ccc2c(ncnc2c1)Oc1ccc(cc1)[*:1]
CC(C)Oc1cccc(NC(=O)CNCc2ccccc2Cl)c1 Clc1ccccc1[*:1] CC(C)Oc1cccc(c1)NC(=O)CNC[*:1]
CC(C)Oc1cccc(NC(=O)CNCc2ccccc2Cl)c1 CC(C)[*:1] O=C(CNCc1ccccc1Cl)Nc1cccc(c1)O[*:1]
CC(C)Oc1cccc(NC(=O)CNCc2ccccc2Cl)c1 CC(C)O[*:1] O=C(CNCc1ccccc1Cl)Nc1cccc(c1)[*:1]
Cc1cccc(C)c1-n1nnnc1SCC(=O)NC1(C#N)CCCCC1 N#CC1(CCCCC1)[*:1] Cc1cccc(C)c1-n1nnnc1SCC(=O)N[*:1]
Cc1cccc(C)c1-n1nnnc1SCC(=O)NC1(C#N)CCCCC1 Cc1cccc(C)c1[*:1] N#CC1(CCCCC1)NC(=O)CSc1nnnn1[*:1]
COc1ccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1OC C1CC1[*:1] COc1ccc(cc1OC)NC(=O)CSc1n[nH]c(=O)n1[*:1]
CC(C)n1cc(Br)cc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 CC(C)[*:1] O=C(c1cc(Br)cn1[*:1])N1CCO[C@@H]2CCCC[C@H]21
Cc1cc(-c2nnn(CCCCCCO)n2)ccc1F OCCCCC[*:1] Cc1cc(ccc1F)-c1nnn(C[*:1])n1
Cc1cc(-c2nnn(CCCCCCO)n2)ccc1F OCC[*:1] Cc1cc(ccc1F)-c1nnn(CCCC[*:1])n1
Cc1cc(-c2nnn(CCCCCCO)n2)ccc1F OCCCC[*:1] Cc1cc(ccc1F)-c1nnn(CC[*:1])n1
Cc1cc(-c2nnn(CCCCCCO)n2)ccc1F OCCC[*:1] Cc1cc(ccc1F)-c1nnn(CCC[*:1])n1
Cc1ccc(-c2ncco2)cc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1 Oc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)N(C)[C@@H](C)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1)[*:1]
COCCCNC(=O)NNc1cc(OC)ccc1Cl COCCC[*:1] COc1ccc(Cl)c(c1)NNC(=O)N[*:1]
COCCCNC(=O)NNc1cc(OC)ccc1Cl COCC[*:1] COc1ccc(Cl)c(c1)NNC(=O)NC[*:1]
COCCCNC(=O)NNc1cc(OC)ccc1Cl COC[*:1] COc1ccc(Cl)c(c1)NNC(=O)NCC[*:1]
CNS(=O)(=O)c1ccc([C@@H](C)Nc2nc3ccccn3c2[N+](=O)[O-])cc1 CNS(=O)(=O)[*:1] C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc([C@@H](C)Nc2nc3ccccn3c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CNS(=O)(=O)c1ccc(cc1)[C@@H](C)Nc1nc2ccccn2c1[*:1]
CC[C@@H](CC(=O)Nc1ccc2c(c1)COC2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CC(=O)Nc1ccc2COCc2c1)[*:1]
CCn1c(SCC(=O)NNC(=O)C2CC2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)NNC(=O)C1CC1
CCn1c(SCC(=O)NNC(=O)C2CC2)nnc1-c1ccccc1 C1CC1[*:1] CCn1c(nnc1-c1ccccc1)SCC(=O)NNC(=O)[*:1]
C[NH+](Cc1coc2ccccc12)CC1(O)CCCC1 OC1(CCCC1)[*:1] C[NH+](Cc1coc2ccccc12)C[*:1]
Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(C)C c1ccc(cc1)O[*:1] Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1C[*:1])C(C)C
Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(C)C c1ccc(cc1)[*:1] Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1CO[*:1])C(C)C
Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(C)C Cc1ccccc1[*:1] CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)[*:1]
Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(C)C c1ccc(cc1)OC[*:1] Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1[*:1])C(C)C
Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)[*:1]
CN1CCOc2ccc(NC(=O)c3cccc(F)c3)cc2C1=O Fc1cccc(c1)[*:1] CN1CCOc2ccc(cc2C1=O)NC(=O)[*:1]
O=C(NC1CC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] O=C(NC1CC1)c1ccc(Cl)c(c1)NC(=O)[*:1]
O=C(NC1CC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 O=C(NC1CC1)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1cccs1
O=C(NC1CC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 C1CC1[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)NC(=O)c1cccs1
CCc1cc(OCC(=O)N(CC)C2CC2)c2ccccc2[nH+]1 C1CC1[*:1] CCc1cc(OCC(=O)N(CC)[*:1])c2ccccc2[nH+]1
COc1ccc(NC(=O)C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 COc1ccc(cc1)[*:1] CN1CCN(C(=O)C(=O)N[*:1])[C@H](C1)c1ccccc1
COc1ccc(NC(=O)C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)C(=O)N1CCN(C)C[C@H]1[*:1]
CCCn1cc(NC(=O)CCN2CCN(c3cccc[nH+]3)CC2)cn1 CCC[*:1] O=C(CCN1CCN(CC1)c1cccc[nH+]1)Nc1cnn(c1)[*:1]
CCCn1cc(NC(=O)CCN2CCN(c3cccc[nH+]3)CC2)cn1 CCCn1cc(cn1)[*:1] O=C(CCN1CCN(CC1)c1cccc[nH+]1)N[*:1]
COCC[NH2+]Cc1cc(F)c(-n2ccnc2C#N)c(F)c1 N#Cc1nccn1[*:1] COCC[NH2+]Cc1cc(F)c(c(F)c1)[*:1]
COCC[NH2+]Cc1cc(F)c(-n2ccnc2C#N)c(F)c1 COCC[*:1] N#Cc1nccn1-c1c(F)cc(cc1F)C[NH2+][*:1]
COCC[NH2+]Cc1cc(F)c(-n2ccnc2C#N)c(F)c1 COC[*:1] N#Cc1nccn1-c1c(F)cc(cc1F)C[NH2+]C[*:1]
COC(=O)c1sc(-c2ccc3c(c2)OCCO3)nc1Cl COC(=O)[*:1] Clc1nc(sc1[*:1])-c1ccc2OCCOc2c1
COc1cccc(-c2cc(C(F)(F)F)nc(-n3cc(Cl)cn3)n2)c1 FC(F)(F)[*:1] COc1cccc(c1)-c1cc(nc(n1)-n1cc(Cl)cn1)[*:1]
COc1cccc(-c2cc(C(F)(F)F)nc(-n3cc(Cl)cn3)n2)c1 Clc1cnn(c1)[*:1] COc1cccc(c1)-c1cc(nc(n1)[*:1])C(F)(F)F
COc1cccc(-c2cc(C(F)(F)F)nc(-n3cc(Cl)cn3)n2)c1 COc1cccc(c1)[*:1] FC(F)(F)c1cc(nc(n1)-n1cc(Cl)cn1)[*:1]
COc1ccc(C[NH+]2CCC(CNC(=O)c3nccc4ccccc34)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(NCC1CC[NH+](CC1)[*:1])c1nccc2ccccc12
COc1ccc(C[NH+]2CCC(CNC(=O)c3nccc4ccccc34)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])c1nccc2ccccc12
COC(=O)[C@H](NC(=O)CCc1cccnc1)c1ccc(F)cc1F c1cncc(c1)C[*:1] COC(=O)[C@H](NC(=O)C[*:1])c1ccc(F)cc1F
COC(=O)[C@H](NC(=O)CCc1cccnc1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)[C@H](NC(=O)CCc1cccnc1)[*:1]
COC(=O)[C@H](NC(=O)CCc1cccnc1)c1ccc(F)cc1F c1cncc(c1)CC[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(F)cc1F
COC(=O)[C@H](NC(=O)CCc1cccnc1)c1ccc(F)cc1F COC(=O)[*:1] O=C(CCc1cccnc1)N[C@H](c1ccc(F)cc1F)[*:1]
COC(=O)[C@H](NC(=O)CCc1cccnc1)c1ccc(F)cc1F c1cncc(c1)[*:1] COC(=O)[C@H](NC(=O)CC[*:1])c1ccc(F)cc1F
O=C(NCC1(c2cccs2)CC1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC1(CC1)c1cccs1)NC(c1ccccc1)[*:1]
O=C(NCC1(c2cccs2)CC1)NC(c1ccccc1)c1ccccc1 c1csc(c1)C1(CC1)[*:1] O=C(NC[*:1])NC(c1ccccc1)c1ccccc1
O=C(NCC1(c2cccs2)CC1)NC(c1ccccc1)c1ccccc1 c1csc(c1)[*:1] O=C(NCC1(CC1)[*:1])NC(c1ccccc1)c1ccccc1
O=C(c1ccccc1O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(c1ccccc1O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccccc1O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Oc1ccccc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc(F)c1)[*:1]
Cc1cc(CCCC(=O)NCc2ncccc2C)c(C)s1 Cc1cccnc1[*:1] Cc1cc(CCCC(=O)NC[*:1])c(C)s1
Cc1cc(CCCC(=O)NCc2ncccc2C)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1cccnc1CNC(=O)CCC[*:1]
O=C1NC(=O)N2CCS[C@@]2(Cc2ccccc2)N1 c1ccc(cc1)[*:1] O=C1NC(=O)N2CCS[C@@]2(C[*:1])N1
C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C/C=C/C=C/C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 C/C=C/C=C[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
C/C=C/C=C/C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 CC=C[*:1] O=C(C=C[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
CC(C)c1nc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cs1 CC(C)[*:1] C[C@@H]([NH2+][C@H](C)c1csc(n1)[*:1])c1ccc(cc1)N1CCCC1=O
CC(C)c1nc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cs1 CC(C)c1nc(cs1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1ccc(cc1)N1CCCC1=O
CC(C)c1nc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cs1 O=C1CCCN1[*:1] CC(C)c1nc(cs1)[C@@H](C)[NH2+][C@H](C)c1ccc(cc1)[*:1]
COc1ccccc1-c1cc(COc2ccc(F)c3c2C(=O)C[C@H]3C)on1 COc1ccccc1[*:1] C[C@@H]1CC(=O)c2c(ccc(F)c21)OCc1cc(no1)[*:1]
CCCN[C@@H](c1ccc(OC)cc1)[C@@H]1CN(CC)CCO1 CCCN[*:1] CCN1CCO[C@@H](C1)[C@H](c1ccc(cc1)OC)[*:1]
CCCN[C@@H](c1ccc(OC)cc1)[C@@H]1CN(CC)CCO1 CCC[*:1] CCN1CCO[C@@H](C1)[C@@H](N[*:1])c1ccc(cc1)OC
CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cncc(Br)c2)c1 CCOC(=O)[*:1] N#CC(=Cc1cccc(c1)OC(=O)c1cncc(Br)c1)[*:1]
CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cncc(Br)c2)c1 Brc1cncc(c1)[*:1] CCOC(=O)/C(C#N)=C/c1cccc(c1)OC(=O)[*:1]
O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N2CC[C@H](O)C2)nc1 O[C@H]1CCN(C1)[*:1] O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(nc1)[*:1]
O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N2CC[C@H](O)C2)nc1 Fc1ccc(cc1F)[*:1] O=S(=O)([N-][*:1])c1ccc(nc1)N1CC[C@H](O)C1
COCc1cc(C[NH2+]CC(=O)NC2CCCCCCC2)n[nH]1 COC[*:1] O=C(C[NH2+]Cc1cc([nH]n1)[*:1])NC1CCCCCCC1
CN1C(=O)C[C@@H](NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)N[C@@H]2CC[C@@H](C2)[NH+](C)C)[C@H]1[*:1]
O=C(c1ccsc1)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 c1cc(cs1)[*:1] O=C(N1CC[C@H](C1)C1CCN(CC1)c1ncccn1)[*:1]
O=C(c1ccsc1)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 c1cnc(nc1)[*:1] O=C(c1ccsc1)N1CC[C@H](C1)C1CCN(CC1)[*:1]
CCCC(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] CCCC(=O)Nc1ccc(NC(=O)[*:1])c(C)c1
CCCC(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1 CCCC(=O)N[*:1] Cc1cc(ccc1NC(=O)c1ccccc1)[*:1]
CCCC(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1 CCC[*:1] Cc1cc(ccc1NC(=O)c1ccccc1)NC(=O)[*:1]
O=C(CN1CCN(c2ncccn2)CC1)NCC[C@@H]1COc2ccccc2O1 c1cnc(nc1)[*:1] O=C(CN1CCN(CC1)[*:1])NCC[C@@H]1COc2ccccc2O1
COc1ccc(-c2csc3ncn(CC(=O)N4CCCCCC4)c(=O)c23)cc1OC O=C(C[*:1])N1CCCCCC1 COc1ccc(cc1OC)-c1csc2ncn(c(=O)c12)[*:1]
COc1ccc(-c2csc3ncn(CC(=O)N4CCCCCC4)c(=O)c23)cc1OC O=C(N1CCCCCC1)[*:1] COc1ccc(cc1OC)-c1csc2ncn(C[*:1])c(=O)c12
COc1ccc(-c2csc3ncn(CC(=O)N4CCCCCC4)c(=O)c23)cc1OC COc1ccc(cc1OC)[*:1] O=C(Cn1cnc2scc(c2c1=O)[*:1])N1CCCCCC1
O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCOc2ccc(CO)cc2C1 c1ccc(cc1)[*:1] O=C(c1ccc([nH]c1=O)[*:1])N1CCOc2ccc(cc2C1)CO
CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccccc3OC)cc21 COc1ccccc1[*:1] CCn1c(=O)n(CC)c2cc(c(cc21)NC(=O)[*:1])N1CCCC1
CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccccc3OC)cc21 C1CCN(C1)[*:1] CCn1c(=O)n(CC)c2cc(c(cc21)NC(=O)c1ccccc1OC)[*:1]
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cncc2ccccc12 O=[N+]([O-])[*:1] Cc1cc(ccc1C(=O)Nc1cncc2ccccc12)[*:1]
CN(C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 CN(C)C(=O)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1[*:1]
CN(C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)CN1C(N)=[NH+]C[C@@]1(C)c1cc(Cl)ccc1Cl CC(C)[*:1] C[C@]1(C[NH+]=C(N)N1C[*:1])c1cc(Cl)ccc1Cl
CC(C)CN1C(N)=[NH+]C[C@@]1(C)c1cc(Cl)ccc1Cl CC(C)C[*:1] C[C@]1(C[NH+]=C(N)N1[*:1])c1cc(Cl)ccc1Cl
C[C@@H](c1ccccc1Cl)N(C(=O)Cc1cn2ccsc2n1)C1CC1 c1cn2cc(nc2s1)[*:1] C[C@@H](c1ccccc1Cl)N(C(=O)C[*:1])C1CC1
C[C@@H](c1ccccc1Cl)N(C(=O)Cc1cn2ccsc2n1)C1CC1 Clc1ccccc1[*:1] C[C@@H](N(C(=O)Cc1cn2ccsc2n1)C1CC1)[*:1]
C[C@@H](c1ccccc1Cl)N(C(=O)Cc1cn2ccsc2n1)C1CC1 C1CC1[*:1] C[C@@H](c1ccccc1Cl)N(C(=O)Cc1cn2ccsc2n1)[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1cc(C#N)ccc1OC(F)F FC(F)O[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1cc(C#N)ccc1[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1cc(C#N)ccc1OC(F)F FC(F)[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1cc(C#N)ccc1O[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1cc(C#N)ccc1OC(F)F Oc1ccc(cc1)[*:1] C[C@@H](C[*:1])NC(=O)Nc1cc(C#N)ccc1OC(F)F
C[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1cc(C#N)ccc1OC(F)F Oc1ccc(cc1)C[*:1] C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[*:1]
Cc1cc(-c2csc([N-]S(=O)(=O)c3c[nH]c4ncccc34)n2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=S(=O)([N-]c1nc(cs1)[*:1])c1c[nH]c2ncccc12
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 c1coc(c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F)[*:1]
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] O=C(c1ccco1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC[C@@H](C#N)OC(=O)c1cn(CCC(C)C)nn1 CC(C)C[*:1] CC[C@@H](C#N)OC(=O)c1cn(C[*:1])nn1
CC[C@@H](C#N)OC(=O)c1cn(CCC(C)C)nn1 CC(C)CC[*:1] CC[C@@H](C#N)OC(=O)c1cn(nn1)[*:1]
CC[C@@H](C#N)OC(=O)c1cn(CCC(C)C)nn1 CC(C)[*:1] CC[C@@H](C#N)OC(=O)c1cn(CC[*:1])nn1
CC[C@@H](C#N)OC(=O)c1cn(CCC(C)C)nn1 CC[C@@H](C#N)[*:1] CC(C)CCn1cc(nn1)C(=O)O[*:1]
Cc1cnn(CCNc2ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n2)c1 Cc1cnn(c1)CC[*:1] CS(=O)(=O)c1cnc(nc1[C@H]1CCC[NH2+]C1)N[*:1]
Cc1cnn(CCNc2ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n2)c1 Cc1cnn(c1)[*:1] CS(=O)(=O)c1cnc(nc1[C@H]1CCC[NH2+]C1)NCC[*:1]
Cc1cnn(CCNc2ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n2)c1 Cc1cnn(c1)C[*:1] CS(=O)(=O)c1cnc(nc1[C@H]1CCC[NH2+]C1)NC[*:1]
Cc1cnn(CCNc2ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n2)c1 CS(=O)(=O)[*:1] Cc1cnn(c1)CCNc1ncc(c(n1)[C@H]1CCC[NH2+]C1)[*:1]
O=C([C@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] O=C([C@H](NS(=O)(=O)c1ccc(F)c(F)c1)[*:1])N1CCCC1
O=C([C@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1)N1CCCC1 Fc1ccc(cc1F)[*:1] O=C([C@H](NS(=O)(=O)[*:1])c1ccccc1)N1CCCC1
O=C([C@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(N[C@H](c1ccccc1)[*:1])c1ccc(F)c(F)c1
COc1cc(NC(=O)Nc2ccc(Cl)cc2)c(OC)cc1Cl Clc1ccc(cc1)[*:1] COc1cc(NC(=O)N[*:1])c(cc1Cl)OC
C[C@H](CNC(=O)N[C@@H](c1ccccc1)C1CC1)C[NH+]1CCCC1 C1CC1[*:1] C[C@H](CNC(=O)N[C@@H](c1ccccc1)[*:1])C[NH+]1CCCC1
C[C@H](CNC(=O)N[C@@H](c1ccccc1)C1CC1)C[NH+]1CCCC1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)N[C@@H](C1CC1)[*:1])C[NH+]1CCCC1
Cc1cccc(NNC(=O)c2cnc3ccc(F)cc3c2)c1 Cc1cccc(c1)[*:1] O=C(NN[*:1])c1cnc2ccc(F)cc2c1
NC(=O)c1cccc(NC2(CC(=O)[O-])CCC2)n1 O=C([O-])[*:1] NC(=O)c1cccc(n1)NC1(CCC1)C[*:1]
NC(=O)c1cccc(NC2(CC(=O)[O-])CCC2)n1 O=C([O-])C[*:1] NC(=O)c1cccc(n1)NC1(CCC1)[*:1]
NC(=O)c1cccc(NC2(CC(=O)[O-])CCC2)n1 NC(=O)[*:1] O=C([O-])CC1(CCC1)Nc1cccc(n1)[*:1]
C[C@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1O O=[N+]([O-])[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1cc(ccc1[*:1])OCC(F)(F)F
C[C@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1O FC(F)(F)C[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1cc(ccc1[N+](=O)[O-])O[*:1]
C[C@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1O FC(F)(F)CO[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1cc(ccc1[N+](=O)[O-])[*:1]
C[C@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1O FC(F)(F)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1cc(ccc1[N+](=O)[O-])OC[*:1]
C[C@@H](Cc1cccs1)C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O c1csc(c1)[*:1] C[C@@H](C[*:1])C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O
C[C@@H](Cc1cccs1)C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O c1csc(c1)C[*:1] C[C@@H](C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)[*:1]
C[C@@H](Cc1cccs1)C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](Cc1cccs1)C(=O)N(C)[C@H]1CCCC[C@H]1[*:1]
Cc1cc(F)c(N)cc1S(=O)(=O)N[C@H](CO)CC(C)C CC(C)C[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)N[C@H](CO)[*:1]
Cc1cc(F)c(N)cc1S(=O)(=O)N[C@H](CO)CC(C)C CC(C)[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)N[C@H](CO)C[*:1]
CC(C)(C)Oc1ccccc1CNC(=O)NC(CO)CO CC(C)(C)[*:1] O=C(NCc1ccccc1O[*:1])NC(CO)CO
CC(C)(C)Oc1ccccc1CNC(=O)NC(CO)CO CC(C)(C)O[*:1] O=C(NCc1ccccc1[*:1])NC(CO)CO
CC(C)(C)Oc1ccccc1CNC(=O)NC(CO)CO OCC(CO)[*:1] CC(C)(C)Oc1ccccc1CNC(=O)N[*:1]
Cc1nc(N2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c2cccnc2n1 Clc1cccc(c1)[*:1] Cc1nc(c2cccnc2n1)N1CCC[C@@H](C1)C(=O)[*:1]
COc1ccc(NC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1C C1CN(CCO1)C[*:1] COc1ccc(cc1C)NC(=O)N[C@H](c1ccccc1)[*:1]
COc1ccc(NC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1C c1ccc(cc1)[*:1] COc1ccc(cc1C)NC(=O)N[C@H](CN1CCOCC1)[*:1]
COc1ccc(NC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1C C1CN(CCO1)[*:1] COc1ccc(cc1C)NC(=O)N[C@H](C[*:1])c1ccccc1
COc1ccc(NC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1C COc1ccc(cc1C)[*:1] O=C(N[C@H](CN1CCOCC1)c1ccccc1)N[*:1]
Cn1ccc(CNC(=O)NCc2cccnc2-n2cccn2)c1 Cn1ccc(c1)C[*:1] O=C(NCc1cccnc1-n1cccn1)N[*:1]
Cn1ccc(CNC(=O)NCc2cccnc2-n2cccn2)c1 c1cnn(c1)[*:1] Cn1ccc(c1)CNC(=O)NCc1cccnc1[*:1]
Cn1ccc(CNC(=O)NCc2cccnc2-n2cccn2)c1 Cn1ccc(c1)[*:1] O=C(NCc1cccnc1-n1cccn1)NC[*:1]
C[NH+]1CCC(NC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)CC1 NC(=O)[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1cc(ccc1N1CCCCC1)[*:1]
C[NH+]1CCC(NC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)CC1 C1CCN(CC1)[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1cc(ccc1[*:1])C(N)=O
Cc1ccccc1CN1CCN(C(=O)c2cc(NC(=O)C3CC3)n(-c3ccccc3)n2)CC1 C1CC1[*:1] Cc1ccccc1CN1CCN(CC1)C(=O)c1cc(NC(=O)[*:1])n(n1)-c1ccccc1
Cc1ccccc1CN1CCN(C(=O)c2cc(NC(=O)C3CC3)n(-c3ccccc3)n2)CC1 O=C(N[*:1])C1CC1 Cc1ccccc1CN1CCN(CC1)C(=O)c1cc(n(n1)-c1ccccc1)[*:1]
Cc1ccccc1CN1CCN(C(=O)c2cc(NC(=O)C3CC3)n(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1CN1CCN(CC1)C(=O)c1cc(NC(=O)C2CC2)n(n1)[*:1]
Cc1ccccc1CN1CCN(C(=O)c2cc(NC(=O)C3CC3)n(-c3ccccc3)n2)CC1 Cc1ccccc1[*:1] O=C(Nc1cc(nn1-c1ccccc1)C(=O)N1CCN(CC1)C[*:1])C1CC1
Cc1ccccc1CN1CCN(C(=O)c2cc(NC(=O)C3CC3)n(-c3ccccc3)n2)CC1 Cc1ccccc1C[*:1] O=C(Nc1cc(nn1-c1ccccc1)C(=O)N1CCN(CC1)[*:1])C1CC1
COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)[C@H]1Nn2c(C)ccc2S[C@H]1C(=O)N[*:1]
COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] Cc1ccc2S[C@@H](C(=O)Nc3ccccc3Cl)[C@H](Nn12)[*:1]
COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)N[C@@H]1C=C[C@H](CO)C1 CC(C)[*:1] COc1ccc(Cl)cc1[C@@H](C[*:1])NC(=O)N[C@@H]1C=C[C@H](CO)C1
COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)N[C@@H]1C=C[C@H](CO)C1 CC(C)C[*:1] COc1ccc(Cl)cc1[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)[*:1]
Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCC([NH+]2CCCC2)CC1 CC(C)(C)[*:1] Cn1nc(cc1NC(=O)CN1CCC(CC1)[NH+]1CCCC1)[*:1]
CCNc1nnc(S(=O)(=O)Cc2nnnn2-c2ccccc2)s1 c1ccc(cc1)[*:1] CCNc1nnc(s1)S(=O)(=O)Cc1nnnn1[*:1]
CCNc1nnc(S(=O)(=O)Cc2nnnn2-c2ccccc2)s1 CCN[*:1] O=S(=O)(Cc1nnnn1-c1ccccc1)c1nnc(s1)[*:1]
Cc1cc(C)cc(CS[C@@H](c2cccnc2)[C@H](C)[NH3+])c1 c1cncc(c1)[*:1] Cc1cc(C)cc(c1)CS[C@@H]([C@H](C)[NH3+])[*:1]
C[C@@H]1CS[C@@H](c2ccc(C3CC3)cc2)[NH2+]1 C1CC1[*:1] C[C@@H]1CS[C@H]([NH2+]1)c1ccc(cc1)[*:1]
CCC(=O)N1C(=O)[C@@]2(SCC(=O)N2c2ccc(F)c(Cl)c2)c2ccccc21 Fc1ccc(cc1Cl)[*:1] CCC(=O)N1C(=O)[C@@]2(SCC(=O)N2[*:1])c2ccccc21
Cc1cccc2c1N[C@H](c1cn(CCC#N)nc1-c1ccccc1)NC2=O N#CC[*:1] Cc1cccc2C(=O)N[C@H](Nc12)c1cn(C[*:1])nc1-c1ccccc1
Cc1cccc2c1N[C@H](c1cn(CCC#N)nc1-c1ccccc1)NC2=O c1ccc(cc1)[*:1] Cc1cccc2C(=O)N[C@H](Nc12)c1cn(CCC#N)nc1[*:1]
Cc1cccc2c1N[C@H](c1cn(CCC#N)nc1-c1ccccc1)NC2=O N#CCC[*:1] Cc1cccc2C(=O)N[C@H](Nc12)c1cn(nc1-c1ccccc1)[*:1]
COC(=O)c1ccsc1NC(=O)C(=O)NCCc1ccc(F)cc1C Cc1cc(F)ccc1[*:1] COC(=O)c1ccsc1NC(=O)C(=O)NCC[*:1]
COC(=O)c1ccsc1NC(=O)C(=O)NCCc1ccc(F)cc1C COC(=O)[*:1] Cc1cc(F)ccc1CCNC(=O)C(=O)Nc1sccc1[*:1]
COc1cccc(OC)c1C(=O)NC(=S)NNc1ccccc1 c1ccc(cc1)[*:1] COc1cccc(OC)c1C(=O)NC(=S)NN[*:1]
COCCC[C@H]1CCCN(C(=O)Cc2cccc(C)c2)C1 Cc1cccc(c1)[*:1] COCCC[C@H]1CCCN(C1)C(=O)C[*:1]
COCCC[C@H]1CCCN(C(=O)Cc2cccc(C)c2)C1 COCC[*:1] Cc1cccc(c1)CC(=O)N1CCC[C@@H](C1)C[*:1]
COCCC[C@H]1CCCN(C(=O)Cc2cccc(C)c2)C1 COC[*:1] Cc1cccc(c1)CC(=O)N1CCC[C@H](CC[*:1])C1
COCCC[C@H]1CCCN(C(=O)Cc2cccc(C)c2)C1 COCCC[*:1] Cc1cccc(c1)CC(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 Cc1ccccc1O[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 Cc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 Cc1ccccc1OC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)[*:1]
Cc1ccc(OCCNC(=O)Nc2ccc(Cl)c(F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])Nc1ccc(Cl)c(F)c1
O=C(Nc1cnn(CC(F)F)c1)c1cccc(F)c1Cl FC(F)[*:1] O=C(Nc1cnn(c1)C[*:1])c1cccc(F)c1Cl
O=C(Nc1cnn(CC(F)F)c1)c1cccc(F)c1Cl FC(F)C[*:1] O=C(Nc1cnn(c1)[*:1])c1cccc(F)c1Cl
Cc1cccc(CCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)N[*:1]
Cc1cccc(CCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2)c1 Cc1cccc(c1)C[*:1] O=C(NC[*:1])[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1
Cc1cccc(CCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(NCC[*:1])[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1
Cc1cccc(CCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2)c1 Cc1cccc(c1)CC[*:1] O=C(N[*:1])[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1
O=C(NCCc1csc(-c2ccccc2)n1)c1ccccc1Br Brc1ccccc1[*:1] O=C(NCCc1csc(n1)-c1ccccc1)[*:1]
O=C(NCCc1csc(-c2ccccc2)n1)c1ccccc1Br c1ccc(cc1)[*:1] O=C(NCCc1csc(n1)[*:1])c1ccccc1Br
C/C(=N\Nc1nnc2c(n1)[nH]c1ccccc12)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C(=N\Nc1nnc2c(n1)[nH]c1ccccc12)c1cccc(c1)[*:1]
CCN(CC)c1ccc(-c2nnc(SCc3c(C)noc3C)n2C)cc1 Cc1noc(C)c1C[*:1] CCN(CC)c1ccc(cc1)-c1nnc(S[*:1])n1C
CCN(CC)c1ccc(-c2nnc(SCc3c(C)noc3C)n2C)cc1 CCN(CC)[*:1] Cc1noc(C)c1CSc1nnc(-c2ccc(cc2)[*:1])n1C
CCN(CC)c1ccc(-c2nnc(SCc3c(C)noc3C)n2C)cc1 Cc1noc(C)c1[*:1] CCN(CC)c1ccc(cc1)-c1nnc(SC[*:1])n1C
O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1-n1cnnn1 C1CC1c1nc(no1)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1ccccc1-n1cnnn1
O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1-n1cnnn1 c1nnnn1[*:1] O=C(Nc1ccc(cc1)OCc1noc(n1)C1CC1)c1ccccc1[*:1]
O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1-n1cnnn1 C1CC1[*:1] O=C(Nc1ccc(cc1)OCc1noc(n1)[*:1])c1ccccc1-n1cnnn1
O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1-n1cnnn1 C(O[*:1])c1noc(n1)C1CC1 O=C(Nc1ccc(cc1)[*:1])c1ccccc1-n1cnnn1
O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccccc1-n1cnnn1 C1CC1c1nc(C[*:1])no1 O=C(Nc1ccc(cc1)O[*:1])c1ccccc1-n1cnnn1
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1[*:1]
CN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1ccccc1 N#Cc1cccc(c1)[*:1] CN(C[*:1])C(=O)Nc1ccccc1-c1ccccc1
CC(C)(C)n1cc(CN2CCO[C@@H](c3cccs3)C2)cn1 CC(C)(C)[*:1] c1csc(c1)[C@H]1CN(CCO1)Cc1cnn(c1)[*:1]
CC(C)(C)n1cc(CN2CCO[C@@H](c3cccs3)C2)cn1 c1csc(c1)[*:1] CC(C)(C)n1cc(cn1)CN1CCO[C@@H](C1)[*:1]
Cc1ccccc1[C@H](C[NH3+])N(C)CCc1cccs1 c1csc(c1)C[*:1] Cc1ccccc1[C@H](C[NH3+])N(C)C[*:1]
Cc1ccccc1[C@H](C[NH3+])N(C)CCc1cccs1 c1csc(c1)[*:1] Cc1ccccc1[C@H](C[NH3+])N(C)CC[*:1]
CCCCOc1c(C=O)c(C)nn1-c1ccccc1 CCC[*:1] Cc1nn(-c2ccccc2)c(OC[*:1])c1C=O
CCCCOc1c(C=O)c(C)nn1-c1ccccc1 CCCCO[*:1] Cc1nn(-c2ccccc2)c(c1C=O)[*:1]
CCCCOc1c(C=O)c(C)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCCCOc1c(C=O)c(C)nn1[*:1]
CCCCOc1c(C=O)c(C)nn1-c1ccccc1 CCCC[*:1] Cc1nn(-c2ccccc2)c(O[*:1])c1C=O
C/C(=N\CC[NH+]1CCCCC1)[C@H]1C(=O)N(c2ccc(C)cc2)C(=O)N=C1O Cc1ccc(cc1)[*:1] C/C(=N\CC[NH+]1CCCCC1)[C@H]1C(=O)N(C(=O)N=C1O)[*:1]
Cc1ccccc1NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)c1ccccc1S(=O)(=O)N(C)[*:1]
Cc1ccccc1NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 Cc1ccccc1[*:1] CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCC([NH+]2CCCC2)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(N1CCC(CC1)[NH+]1CCCC1)[*:1]
CC(C)C[C@H](Nc1cc(N2CCOCC2)nc(N)n1)c1cccnc1 CC(C)C[*:1] Nc1nc(cc(n1)N1CCOCC1)N[C@H](c1cccnc1)[*:1]
CC(C)C[C@H](Nc1cc(N2CCOCC2)nc(N)n1)c1cccnc1 C1CN(CCO1)[*:1] CC(C)C[C@H](Nc1cc(nc(N)n1)[*:1])c1cccnc1
CC(C)C[C@H](Nc1cc(N2CCOCC2)nc(N)n1)c1cccnc1 c1cncc(c1)[*:1] CC(C)C[C@H](Nc1cc(nc(N)n1)N1CCOCC1)[*:1]
CC(C)C[C@H](Nc1cc(N2CCOCC2)nc(N)n1)c1cccnc1 CC(C)[*:1] Nc1nc(cc(n1)N1CCOCC1)N[C@@H](C[*:1])c1cccnc1
CN(C)c1cc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc[nH+]1 CN(C)[*:1] O=C(c1ccc(Cl)cc1Cl)N1CCN(CC1)Cc1cc[nH+]c(c1)[*:1]
CN(C)c1cc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc[nH+]1 Clc1ccc(c(Cl)c1)[*:1] CN(C)c1cc(cc[nH+]1)CN1CCN(CC1)C(=O)[*:1]
O=S(=O)(c1cccc2nonc12)N1CCN(Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] O=S(=O)(c1cccc2nonc12)N1CCN(CC1)[*:1]
O=S(=O)(c1cccc2nonc12)N1CCN(Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=S(=O)(c1cccc2nonc12)N1CCN(CC1)C[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)N1[C@H](C)SC[C@H]1[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] c1csc(c1)C[*:1] C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)N(C)[C@H](C)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-] c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-]
CC(C)[C@H](C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O c1ccc(cc1)[*:1] CC(C)[C@H](C(=O)NC[C@@H](C)N1CCN(CC1)[*:1])N1C(=O)c2ccccc2C1=O
CC(C)[C@H](C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O O=C1c2ccccc2C(=O)N1[*:1] CC(C)[C@H](C(=O)NC[C@@H](C)N1CCN(CC1)c1ccccc1)[*:1]
CC(C)[C@H](C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] C[C@H](CNC(=O)[C@H](N1C(=O)c2ccccc2C1=O)[*:1])N1CCN(CC1)c1ccccc1
COc1cccc([C@@H](C)N2CCN(C(=O)NCC(C)(C)c3ccncc3)CC2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)[C@@H](C)N1CCN(CC1)C(=O)NCC(C)(C)[*:1]
COc1cccc([C@@H](C)N2CCN(C(=O)NCC(C)(C)c3ccncc3)CC2)c1 CC(C)(c1ccncc1)[*:1] COc1cccc(c1)[C@@H](C)N1CCN(CC1)C(=O)NC[*:1]
COc1cccc([C@@H](C)N2CCN(C(=O)NCC(C)(C)c3ccncc3)CC2)c1 COc1cccc(c1)[*:1] C[C@@H](N1CCN(CC1)C(=O)NCC(C)(C)c1ccncc1)[*:1]
CNC(=O)[C@@H](C)CN(C)c1cncc(OCC(C)C)n1 CNC(=O)[C@@H](C)[*:1] CC(C)COc1cncc(n1)N(C)C[*:1]
CNC(=O)[C@@H](C)CN(C)c1cncc(OCC(C)C)n1 CC(C)[*:1] CNC(=O)[C@@H](C)CN(C)c1cncc(n1)OC[*:1]
CNC(=O)[C@@H](C)CN(C)c1cncc(OCC(C)C)n1 CC(C)C[*:1] CNC(=O)[C@@H](C)CN(C)c1cncc(n1)O[*:1]
CNC(=O)[C@@H](C)CN(C)c1cncc(OCC(C)C)n1 CNC(=O)[*:1] CC(C)COc1cncc(n1)N(C)C[C@H](C)[*:1]
CNC(=O)[C@@H](C)CN(C)c1cncc(OCC(C)C)n1 CC(C)CO[*:1] CNC(=O)[C@@H](C)CN(C)c1cncc(n1)[*:1]
CSc1cccc(NC(=O)c2cc(C)n(C3CC3)c2C)c1 C1CC1[*:1] CSc1cccc(c1)NC(=O)c1cc(C)n(c1C)[*:1]
N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)o1 FC(F)(F)[*:1] N#Cc1ccccc1OCc1ccc(o1)C(=O)NCc1ccc(cc1)[*:1]
N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)o1 N#Cc1ccccc1O[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)c1ccc(C[*:1])o1
N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)o1 N#Cc1ccccc1[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)c1ccc(CO[*:1])o1
CCc1ccc(C(=O)N[C@@H](C)C(OC)OC)o1 COC(OC)[*:1] CCc1ccc(o1)C(=O)N[C@@H](C)[*:1]
C[C@@H](O)[C@H]([NH3+])CNC(=O)C1C(C)(C)C1(C)C C[C@@H](O)[*:1] CC1(C)C(C(=O)NC[C@@H]([NH3+])[*:1])C1(C)C
C[C@H](NC(=O)c1cccn1C)c1ccc2c(c1)OCCO2 Cn1cccc1[*:1] C[C@H](NC(=O)[*:1])c1ccc2OCCOc2c1
CC(C)c1cccc(S(=O)(=O)N2C[C@@H](CO)OC[C@@H]2C)c1 CC(C)[*:1] C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1cccc(c1)[*:1]
CN(CC(C)(C)O)C(=O)c1ccc(C#CCCO)cc1F OCC[*:1] CN(CC(C)(C)O)C(=O)c1ccc(C#C[*:1])cc1F
CN(CC(C)(C)O)C(=O)c1ccc(C#CCCO)cc1F CC(C)(O)[*:1] CN(C[*:1])C(=O)c1ccc(C#CCCO)cc1F
CN(CC(C)(C)O)C(=O)c1ccc(C#CCCO)cc1F OCCC#C[*:1] CN(CC(C)(C)O)C(=O)c1ccc(cc1F)[*:1]
CN(CC(C)(C)O)C(=O)c1ccc(C#CCCO)cc1F CC(C)(O)C[*:1] CN(C(=O)c1ccc(C#CCCO)cc1F)[*:1]
C[C@H]([NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1)c1cccnc1 Fc1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H](CC(C)(C)C)[*:1])c1cccnc1
C[C@H]([NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1)c1cccnc1 c1cncc(c1)[*:1] C[C@H]([NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1)[*:1]
C[C@H]([NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1)c1cccnc1 CC(C)(C)[*:1] C[C@H]([NH2+][C@@H](C[*:1])c1ccc(F)cc1)c1cccnc1
C[C@H]([NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1)c1cccnc1 CC(C)(C)C[*:1] C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[*:1])c1cccnc1
CC(C)(C)c1ccccc1[C@@H]1C[NH2+]C[C@@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@H]1C[NH2+]C[C@H]1c1ccccc1[*:1]
CC(C)(C)c1ccccc1[C@@H]1C[NH2+]C[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)c1ccccc1[C@@H]1C[NH2+]C[C@H]1[*:1]
O=C(/C=C/Nc1cccc(O)c1)c1ccc(-c2ccccc2)cc1 Oc1cccc(c1)N[*:1] O=C(C=C[*:1])c1ccc(cc1)-c1ccccc1
O=C(/C=C/Nc1cccc(O)c1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(/C=C/Nc1cccc(O)c1)c1ccc(cc1)[*:1]
O=C(/C=C/Nc1cccc(O)c1)c1ccc(-c2ccccc2)cc1 Oc1cccc(c1)[*:1] O=C(/C=C/N[*:1])c1ccc(cc1)-c1ccccc1
CC[C@@H](NC(=O)NC)c1c(C)nn(C)c1C CNC(=O)N[*:1] CC[C@@H](c1c(C)nn(C)c1C)[*:1]
CC(C)(NC(=O)COC1CCCC1)c1ccc([N+](=O)[O-])cc1 C1CCC(C1)OC[*:1] CC(C)(NC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)(NC(=O)COC1CCCC1)c1ccc([N+](=O)[O-])cc1 C1CCC(C1)[*:1] CC(C)(NC(=O)CO[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)(NC(=O)COC1CCCC1)c1ccc([N+](=O)[O-])cc1 C1CCC(C1)O[*:1] CC(C)(NC(=O)C[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)(NC(=O)COC1CCCC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(NC(=O)COC1CCCC1)c1ccc(cc1)[*:1]
CC(C)CCNc1nc[nH]c(=O)c1[N+](=O)[O-] CC(C)CC[*:1] O=c1[nH]cnc(N[*:1])c1[N+](=O)[O-]
CC(C)CCNc1nc[nH]c(=O)c1[N+](=O)[O-] CC(C)[*:1] O=c1[nH]cnc(NCC[*:1])c1[N+](=O)[O-]
CC(C)CCNc1nc[nH]c(=O)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)CCNc1nc[nH]c(=O)c1[*:1]
CC(C)CCNc1nc[nH]c(=O)c1[N+](=O)[O-] CC(C)C[*:1] O=c1[nH]cnc(NC[*:1])c1[N+](=O)[O-]
CC(C)[C@@H](O)CC(=O)Nc1ccc2c(c1)COC2 CC(C)[*:1] O=C(C[C@H](O)[*:1])Nc1ccc2COCc2c1
CC(C)[C@@H](O)CC(=O)Nc1ccc2c(c1)COC2 CC(C)[C@@H](O)[*:1] O=C(C[*:1])Nc1ccc2COCc2c1
CC(C)[C@@H](O)CC(=O)Nc1ccc2c(c1)COC2 CC(C)[C@@H](O)C[*:1] O=C(Nc1ccc2COCc2c1)[*:1]
CCCNc1ncc(F)c(-c2cccc(OC(C)C)c2)n1 CCC[*:1] CC(C)Oc1cccc(c1)-c1nc(ncc1F)N[*:1]
CCCNc1ncc(F)c(-c2cccc(OC(C)C)c2)n1 CC(C)[*:1] CCCNc1ncc(F)c(n1)-c1cccc(c1)O[*:1]
CCCNc1ncc(F)c(-c2cccc(OC(C)C)c2)n1 CCCN[*:1] CC(C)Oc1cccc(c1)-c1nc(ncc1F)[*:1]
CCCNc1ncc(F)c(-c2cccc(OC(C)C)c2)n1 CC(C)O[*:1] CCCNc1ncc(F)c(n1)-c1cccc(c1)[*:1]
N/C(=N\OCc1ccc(Cl)c(Cl)c1)c1nonc1N Nc1nonc1[*:1] N/C(=N\OCc1ccc(Cl)c(Cl)c1)[*:1]
Cc1nc(-c2nc[nH]n2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F O=[N+]([O-])[*:1] Cc1nc(sc1C(=O)Nc1cc(ccc1OC(F)F)[*:1])-c1nc[nH]n1
Cc1nc(-c2nc[nH]n2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F FC(F)[*:1] Cc1nc(sc1C(=O)Nc1cc(ccc1O[*:1])[N+](=O)[O-])-c1nc[nH]n1
Cc1nc(-c2nc[nH]n2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F FC(F)O[*:1] Cc1nc(sc1C(=O)Nc1cc(ccc1[*:1])[N+](=O)[O-])-c1nc[nH]n1
Cc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)c(NC(=O)COc2ccccc2)c1 Fc1ccc(C[*:1])c(F)c1 Cc1ccc(c(c1)NC(=O)COc1ccccc1)N1CCCN(C1=O)[*:1]
Cc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)c(NC(=O)COc2ccccc2)c1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(c(c1)NC(=O)COc1ccccc1)N1CCCN(C[*:1])C1=O
Cc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)c(NC(=O)COc2ccccc2)c1 O=C(COc1ccccc1)N[*:1] Cc1ccc(c(c1)[*:1])N1CCCN(Cc2ccc(F)cc2F)C1=O
Cc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)c(NC(=O)COc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(c(c1)NC(=O)CO[*:1])N1CCCN(Cc2ccc(F)cc2F)C1=O
Cc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)c(NC(=O)COc2ccccc2)c1 c1ccc(cc1)O[*:1] Cc1ccc(c(c1)NC(=O)C[*:1])N1CCCN(Cc2ccc(F)cc2F)C1=O
Cc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)c(NC(=O)COc2ccccc2)c1 c1ccc(cc1)OC[*:1] Cc1ccc(c(c1)NC(=O)[*:1])N1CCCN(Cc2ccc(F)cc2F)C1=O
COc1ccc(NC(=O)[C@H](C)Nc2cccc(N3CCCCC3)c2)c(OC)c1 C1CCN(CC1)[*:1] COc1ccc(NC(=O)[C@H](C)Nc2cccc(c2)[*:1])c(c1)OC
CCN(Cc1cccs1)C(=O)Cc1c(F)cccc1Cl c1csc(c1)[*:1] CCN(C[*:1])C(=O)Cc1c(F)cccc1Cl
CCN(Cc1cccs1)C(=O)Cc1c(F)cccc1Cl c1csc(c1)C[*:1] CCN(C(=O)Cc1c(F)cccc1Cl)[*:1]
Cc1ccc(-c2ncc(CN3CCO[C@H](c4cccc(F)c4)C3)s2)o1 Cc1ccc(o1)[*:1] Fc1cccc(c1)[C@@H]1CN(CCO1)Cc1cnc(s1)[*:1]
Cc1ccc(-c2ncc(CN3CCO[C@H](c4cccc(F)c4)C3)s2)o1 Fc1cccc(c1)[*:1] Cc1ccc(o1)-c1ncc(CN2CCO[C@H](C2)[*:1])s1
C[C@@H](Sc1ccccc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O
C[C@@H](Sc1ccccc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] C[C@@H](Sc1ccccc1)C(=O)N[C@H]1CCCN(C1=O)[*:1]
C[C@@H](Sc1ccccc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)S[*:1] C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
C[C@@H](Sc1ccccc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H](Sc1ccccc1)C(=O)N[C@H]1CCCN(C[*:1])C1=O
CC#CC[C@H]([NH2+]CC)C(C)(C)OC CC#CC[*:1] CC[NH2+][C@H](C(C)(C)OC)[*:1]
CC#CC[C@H]([NH2+]CC)C(C)(C)OC CC#C[*:1] CC[NH2+][C@@H](C[*:1])C(C)(C)OC
C[C@H](CNC(=O)NOCc1ccccc1)Cn1cccn1 c1ccc(cc1)C[*:1] C[C@H](CNC(=O)NO[*:1])Cn1cccn1
C[C@H](CNC(=O)NOCc1ccccc1)Cn1cccn1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)NOC[*:1])Cn1cccn1
C[C@H](CNC(=O)NOCc1ccccc1)Cn1cccn1 c1cnn(c1)C[*:1] C[C@H](CNC(=O)NOCc1ccccc1)[*:1]
C[C@H](CNC(=O)NOCc1ccccc1)Cn1cccn1 c1cnn(c1)[*:1] C[C@H](CNC(=O)NOCc1ccccc1)C[*:1]
COC(=O)Cc1ccccc1NC(=O)c1c(F)cccc1F COC(=O)C[*:1] O=C(Nc1ccccc1[*:1])c1c(F)cccc1F
COC(=O)Cc1ccccc1NC(=O)c1c(F)cccc1F COC(=O)[*:1] O=C(Nc1ccccc1C[*:1])c1c(F)cccc1F
CC(C)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 CC(C)C[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)[O-])[*:1]
CC(C)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 CC(C)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(cc1)C(=O)[O-]
CC(C)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
COCCOCCN1C[C@@H](C)OCC1(C)C COC[*:1] C[C@@H]1CN(CCOC[*:1])C(C)(C)CO1
COCCOCCN1C[C@@H](C)OCC1(C)C COCC[*:1] C[C@@H]1CN(CCO[*:1])C(C)(C)CO1
COCCOCCN1C[C@@H](C)OCC1(C)C COCCO[*:1] C[C@@H]1CN(CC[*:1])C(C)(C)CO1
O=C(CN1CCN(C(=O)c2ccc(F)cc2O)CC1)C1CC1 C1CC1[*:1] O=C(c1ccc(F)cc1O)N1CCN(CC1)CC(=O)[*:1]
O=C(CN1CCN(C(=O)c2ccc(F)cc2O)CC1)C1CC1 O=C(C1CC1)[*:1] O=C(c1ccc(F)cc1O)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)c2ccc(F)cc2O)CC1)C1CC1 O=C(C[*:1])C1CC1 O=C(c1ccc(F)cc1O)N1CCN(CC1)[*:1]
COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@@H]13)O2 COC(=O)[*:1] O=C1[C@H]2[C@H]([C@@H]3C=C[C@@]2(CN1C1CCCC1)O3)[*:1]
COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@@H]13)O2 C1CCC(C1)[*:1] COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
CC(C)CCN(CCC#N)C(=O)c1c[nH]c2nccc(Cl)c12 CC(C)[*:1] N#CCCN(CC[*:1])C(=O)c1c[nH]c2nccc(Cl)c12
CC(C)CCN(CCC#N)C(=O)c1c[nH]c2nccc(Cl)c12 N#CC[*:1] CC(C)CCN(C[*:1])C(=O)c1c[nH]c2nccc(Cl)c12
CC(C)CCN(CCC#N)C(=O)c1c[nH]c2nccc(Cl)c12 CC(C)CC[*:1] N#CCCN(C(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CC(C)CCN(CCC#N)C(=O)c1c[nH]c2nccc(Cl)c12 N#CCC[*:1] CC(C)CCN(C(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CC(C)CCN(CCC#N)C(=O)c1c[nH]c2nccc(Cl)c12 CC(C)C[*:1] N#CCCN(C[*:1])C(=O)c1c[nH]c2nccc(Cl)c12
Cn1cnc(CNC(=O)N(Cc2ccc(F)cc2)C2CC2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])N(Cc1ccc(F)cc1)C1CC1
Cn1cnc(CNC(=O)N(Cc2ccc(F)cc2)C2CC2)n1 Fc1ccc(cc1)[*:1] Cn1cnc(CNC(=O)N(C[*:1])C2CC2)n1
Cn1cnc(CNC(=O)N(Cc2ccc(F)cc2)C2CC2)n1 Cn1cnc(C[*:1])n1 O=C(N[*:1])N(Cc1ccc(F)cc1)C1CC1
Cn1cnc(CNC(=O)N(Cc2ccc(F)cc2)C2CC2)n1 C1CC1[*:1] Cn1cnc(CNC(=O)N(Cc2ccc(F)cc2)[*:1])n1
CCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)CC1 CCNC(=O)[*:1] C[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(cc1)C(C)(C)C
CCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CCNC(=O)C1CCN(CC1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(Cl)cc2)n3C)c(OC)c1 Clc1ccc(cc1)C[*:1] COc1ccc(c(c1)OC)[C@H]1CC(=O)Nc2c1c(=O)nc(S[*:1])n2C
COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(Cl)cc2)n3C)c(OC)c1 Clc1ccc(cc1)CS[*:1] COc1ccc(c(c1)OC)[C@H]1CC(=O)Nc2c1c(=O)nc(n2C)[*:1]
COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(Cl)cc2)n3C)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@@H]2[*:1])SCc1ccc(Cl)cc1
COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(Cl)cc2)n3C)c(OC)c1 Clc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1CC(=O)Nc2c1c(=O)nc(SC[*:1])n2C
O=C([O-])[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1c1ccc2c(c1)OCO2 FC(F)(F)[*:1] O=C([O-])[C@@H]1CN(C[C@H]1c1ccc2OCOc2c1)C(=O)CC[*:1]
O=C([O-])[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1c1ccc2c(c1)OCO2 FC(F)(F)C[*:1] O=C([O-])[C@@H]1CN(C[C@H]1c1ccc2OCOc2c1)C(=O)C[*:1]
O=C([O-])[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1c1ccc2c(c1)OCO2 FC(F)(F)CC[*:1] O=C([O-])[C@@H]1CN(C[C@H]1c1ccc2OCOc2c1)C(=O)[*:1]
O=C([O-])[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1c1ccc2c(c1)OCO2 O=C([O-])[*:1] O=C(CCC(F)(F)F)N1C[C@H]([C@@H](C1)c1ccc2OCOc2c1)[*:1]
COC(=O)c1cc(C)nn1-c1nnc(C)c([O-])n1 COC(=O)[*:1] Cc1cc(n(n1)-c1nnc(C)c([O-])n1)[*:1]
C[C@H]1COCCN1C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1COCCN1C(=O)N[C@H](C)C(c1ccccc1)[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OC)c(Cl)c2)c1C CCOC(=O)[*:1] COc1ccc(cc1Cl)NC(=O)c1[nH]c(C)c(c1C)[*:1]
COc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C(=O)N[C@]1(N=C2SCCN2C1=O)[*:1]
COc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)cc1 COc1ccc(cc1)[*:1] O=C1N2CCSC2=N[C@@]1(NC(=O)[*:1])C(F)(F)F
Cc1nc(=O)[nH]c(C)c1CC(=O)N[C@@H](C)CCCO OCCC[*:1] Cc1nc(=O)[nH]c(C)c1CC(=O)N[C@@H](C)[*:1]
Cc1nc(=O)[nH]c(C)c1CC(=O)N[C@@H](C)CCCO OCC[*:1] Cc1nc(=O)[nH]c(C)c1CC(=O)N[C@@H](C)C[*:1]
Cc1nc(=O)[nH]c(C)c1CC(=O)N[C@@H](C)CCCO C[C@@H](CCCO)[*:1] Cc1nc(=O)[nH]c(C)c1CC(=O)N[*:1]
Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3cn[nH]c3)c2)cc1 c1n[nH]cc1[*:1] Cc1ccc(cc1)C(=O)Nc1cccc(c1)CNC(=O)N[*:1]
Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3cn[nH]c3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1cccc(c1)NC(=O)[*:1])Nc1cn[nH]c1
[NH3+][C@@H]1CC[C@H](C(=O)N(Cc2cccnc2)Cc2ccc3c(c2)OCO3)C1 c1cncc(c1)[*:1] [NH3+][C@@H]1CC[C@@H](C1)C(=O)N(Cc1ccc2OCOc2c1)C[*:1]
[NH3+][C@@H]1CC[C@H](C(=O)N(Cc2cccnc2)Cc2ccc3c(c2)OCO3)C1 c1cncc(c1)C[*:1] [NH3+][C@@H]1CC[C@@H](C1)C(=O)N(Cc1ccc2OCOc2c1)[*:1]
C[C@H]1SCCN(Cc2ccc(-n3cncn3)cc2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1SCCN(Cc2ccc(cc2)-n2cncn2)[C@H]1[*:1]
C[C@H]1SCCN(Cc2ccc(-n3cncn3)cc2)[C@@H]1c1ccccc1 c1ncn(n1)[*:1] C[C@H]1SCCN(Cc2ccc(cc2)[*:1])[C@@H]1c1ccccc1
O=C(CCCn1ccnn1)N1CCOc2ccncc21 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCOc2ccncc21
O=C(CCCn1ccnn1)N1CCOc2ccncc21 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCOc2ccncc21
Cc1csc(CN2CC3(CCCC3)[NH2+]C[C@H]2C(C)(C)C)n1 Cc1csc(n1)[*:1] CC(C)(C)[C@@H]1C[NH2+]C2(CCCC2)CN1C[*:1]
Cc1csc(CN2CC3(CCCC3)[NH2+]C[C@H]2C(C)(C)C)n1 CC(C)(C)[*:1] Cc1csc(CN2CC3(CCCC3)[NH2+]C[C@@H]2[*:1])n1
Cc1csc(CN2CC3(CCCC3)[NH2+]C[C@H]2C(C)(C)C)n1 Cc1csc(C[*:1])n1 CC(C)(C)[C@@H]1C[NH2+]C2(CCCC2)CN1[*:1]
Cn1cccc(C(=O)NC[C@@](C)(O)CSc2ccccc2)c1=O c1ccc(cc1)S[*:1] Cn1cccc(C(=O)NC[C@@](C)(O)C[*:1])c1=O
Cn1cccc(C(=O)NC[C@@](C)(O)CSc2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1cccc(C(=O)NC[C@@](C)(O)CS[*:1])c1=O
CC(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3c[nH]c4ccccc34)o2)cc1 CC(C)S(=O)(=O)[*:1] O=C(Nc1nnc(o1)-c1ccc(cc1)[*:1])c1c[nH]c2ccccc12
CC(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3c[nH]c4ccccc34)o2)cc1 CC(C)[*:1] O=C(Nc1nnc(o1)-c1ccc(cc1)S(=O)(=O)[*:1])c1c[nH]c2ccccc12
CC(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3c[nH]c4ccccc34)o2)cc1 c1ccc2c(c[nH]c2c1)[*:1] CC(C)S(=O)(=O)c1ccc(cc1)-c1nnc(NC(=O)[*:1])o1
O=C(NN1C(=O)N(c2ccc(Cl)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(F)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] O=C(NN1C(=O)N(C(=O)C[C@@H]1C(=O)Nc1ccc(F)cc1)[*:1])c1ccccc1
O=C(NN1C(=O)N(c2ccc(Cl)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(F)cc1)c1ccccc1 O=C(Nc1ccc(F)cc1)[*:1] O=C(NN1C(=O)N(C(=O)C[C@H]1[*:1])c1ccc(Cl)cc1)c1ccccc1
O=C(NN1C(=O)N(c2ccc(Cl)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(NN1C(=O)N(C(=O)C[C@@H]1C(=O)N[*:1])c1ccc(Cl)cc1)c1ccccc1
O=C(NN1C(=O)N(c2ccc(Cl)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(C(=O)N1NC(=O)[*:1])c1ccc(Cl)cc1
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(OC)c(Br)c1 Cc1cccc(c1)[*:1] CC[C@H](O[*:1])C(=O)NNC(=O)c1ccc(OC)c(Br)c1
CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)c1ccc(OC)c(Br)c1 Cc1cccc(c1)O[*:1] CC[C@H](C(=O)NNC(=O)c1ccc(OC)c(Br)c1)[*:1]
CC[C@@H](COC)[NH2+]Cc1cccc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] CC[C@@H](COC)[NH2+]Cc1cccc(c1)[*:1]
CC[C@@H](COC)[NH2+]Cc1cccc(-c2nc[nH]n2)c1 COC[*:1] CC[C@@H]([NH2+]Cc1cccc(c1)-c1nc[nH]n1)[*:1]
COCc1ccccc1C(=O)N1CCCN(c2cccnn2)CC1 COC[*:1] O=C(c1ccccc1[*:1])N1CCCN(CC1)c1cccnn1
COCc1ccccc1C(=O)N1CCCN(c2cccnn2)CC1 c1cnnc(c1)[*:1] COCc1ccccc1C(=O)N1CCCN(CC1)[*:1]
CCc1nnc(NS(=O)(=O)c2ccc3ccccc3c2)s1 CCc1nnc(s1)[*:1] O=S(=O)(N[*:1])c1ccc2ccccc2c1
O=c1c2nnc3ncnn3c2ccn1-c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=c1c2nnc3ncnn3c2ccn1-c1ccc(cc1)[*:1]
Cc1ncc([C@H](C)[NH2+][C@@H]2CCC(C)(C)c3ccccc32)s1 Cc1ncc(s1)[*:1] C[C@H]([NH2+][C@@H]1CCC(C)(C)c2ccccc21)[*:1]
COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)C[S@](=O)C3)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1c2C[S@@](=O)Cc2nn1[*:1]
COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)C[S@](=O)C3)cc1 COc1ccc(cc1)[*:1] O=C(Nc1c2C[S@@](=O)Cc2nn1-c1ccccc1)[*:1]
CCCCSc1nc(N)cc(N(C)Cc2cnccn2)n1 c1cnc(cn1)C[*:1] CCCCSc1nc(N)cc(n1)N(C)[*:1]
CCCCSc1nc(N)cc(N(C)Cc2cnccn2)n1 CCCC[*:1] CN(Cc1cnccn1)c1cc(N)nc(n1)S[*:1]
CCCCSc1nc(N)cc(N(C)Cc2cnccn2)n1 c1cnc(cn1)[*:1] CCCCSc1nc(N)cc(n1)N(C)C[*:1]
CCCCSc1nc(N)cc(N(C)Cc2cnccn2)n1 CCCCS[*:1] CN(Cc1cnccn1)c1cc(N)nc(n1)[*:1]
CCCCSc1nc(N)cc(N(C)Cc2cnccn2)n1 CCC[*:1] CN(Cc1cnccn1)c1cc(N)nc(n1)SC[*:1]
Cc1cc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)ccc1C(N)=O NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1C[C@H]2CCCC[C@@H]2C1
Cc1cc(C(=O)N2CCN(/C(=C/C#N)c3ccccc3)CC2)on1 Cc1cc(on1)[*:1] N#C/C=C(\c1ccccc1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCN(/C(=C/C#N)c3ccccc3)CC2)on1 c1ccc(cc1)[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)/C(=C/C#N)[*:1]
O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 c1ccc2[nH]c(nc2c1)[*:1] O=C(c1ccc(cc1)N1CCCC1=O)N1CCC[C@@H](C1)[*:1]
O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 O=C1CCCN1[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H](C1)c1nc2ccccc2[nH]1
CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[*:1]
CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1 CC[C@@H](C)[*:1] O=C(Nc1ccc(Br)cc1)[C@H]1CC=CC[C@@H]1C(=O)O[*:1]
CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1 CC[C@@H](C)OC(=O)[*:1] O=C(Nc1ccc(Br)cc1)[C@H]1CC=CC[C@@H]1[*:1]
CC(=O)NCCOc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(=O)NCCOc1cccc(c1)[*:1]
CC(=O)NCCOc1cccc(C(F)(F)F)c1 CC(=O)NC[*:1] FC(F)(F)c1cccc(c1)OC[*:1]
CC(=O)NCCOc1cccc(C(F)(F)F)c1 CC(=O)N[*:1] FC(F)(F)c1cccc(c1)OCC[*:1]
Cc1ccc(OC2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)cn1 c1coc(c1)[*:1] Cc1ccc(cn1)OC1CCN(CC1)C(=O)c1cc(on1)[*:1]
Cc1ccc(OC2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)cn1 Cc1ccc(cn1)[*:1] O=C(c1cc(on1)-c1ccco1)N1CCC(CC1)O[*:1]
Cc1ccc(OC2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)cn1 Cc1ccc(cn1)O[*:1] O=C(c1cc(on1)-c1ccco1)N1CCC(CC1)[*:1]
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1F CC(C)(C)[*:1] O=C(N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1F)O[*:1]
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1F Fc1ccccc1[*:1] CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@H](O)[*:1]
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1F O=C([O-])[*:1] CC(C)(C)OC(=O)N[C@@H]([C@H](O)c1ccccc1F)[*:1]
O=C(c1cnc(C2CC2)nc1)N1CCC([C@@H](O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cnc(nc1)C1CC1)N1CCC(CC1)[C@@H](O)[*:1]
O=C(c1cnc(C2CC2)nc1)N1CCC([C@@H](O)Cc2ccccc2)CC1 C1CC1[*:1] O=C(c1cnc(nc1)[*:1])N1CCC(CC1)[C@@H](O)Cc1ccccc1
O=C(c1cnc(C2CC2)nc1)N1CCC([C@@H](O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cnc(nc1)C1CC1)N1CCC(CC1)[C@@H](O)C[*:1]
Cc1ccc(C)c(NC(=O)[C@H](C)SC2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](C)S[*:1]
CCCN(c1cc([C@H](C)N)cc[nH+]1)C1CC1 CCC[*:1] C[C@H](N)c1cc[nH+]c(c1)N(C1CC1)[*:1]
CCCN(c1cc([C@H](C)N)cc[nH+]1)C1CC1 C[C@H](N)[*:1] CCCN(c1cc(cc[nH+]1)[*:1])C1CC1
CCCN(c1cc([C@H](C)N)cc[nH+]1)C1CC1 C1CC1[*:1] CCCN(c1cc(cc[nH+]1)[C@H](C)N)[*:1]
CCCC[C@H]1C(=O)N(C)CCN1C(=O)CCc1cn2ccccc2n1 CCCC[*:1] CN1CCN(C(=O)CCc2cn3ccccc3n2)[C@H](C1=O)[*:1]
CCCC[C@H]1C(=O)N(C)CCN1C(=O)CCc1cn2ccccc2n1 CCC[*:1] CN1CCN(C(=O)CCc2cn3ccccc3n2)[C@@H](C[*:1])C1=O
CCCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 CCC[*:1] O=C(C[*:1])Nc1nnc(o1)[C@H]1CC(=O)N(C1)c1ccccc1
CCCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 CCCCC(=O)N[*:1] O=C1C[C@@H](CN1c1ccccc1)c1nnc(o1)[*:1]
CCCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 c1ccc(cc1)[*:1] CCCCC(=O)Nc1nnc(o1)[C@H]1CC(=O)N(C1)[*:1]
CCCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 CCCC[*:1] O=C1C[C@@H](CN1c1ccccc1)c1nnc(NC(=O)[*:1])o1
Cc1ccc(CC(=O)N[C@H](C)c2ccc(C)o2)cn1 Cc1ccc(o1)[*:1] Cc1ccc(cn1)CC(=O)N[C@H](C)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C(=O)NCc1ccccn1)c1nc(C#N)c(C#N)nc12 c1ccc(nc1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C(=O)NC[*:1])c1nc(C#N)c(C#N)nc12
CC1(C)[C@@H]2CC[C@@]1(C(=O)NCc1ccccn1)c1nc(C#N)c(C#N)nc12 c1ccc(C[*:1])nc1 CC1(C)[C@@H]2CC[C@@]1(C(=O)N[*:1])c1nc(C#N)c(C#N)nc12
C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H]2CN2CCOCC2)CC(C)(C)C1 C1CN(CCO1)[*:1] C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H]2C[*:1])CC(C)(C)C1
C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H]2CN2CCOCC2)CC(C)(C)C1 C1CN(CCO1)C[*:1] C[C@@H]1C[C@@H](CC(=O)N2CCC[C@H]2[*:1])CC(C)(C)C1
C/C=C/C=C\C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 CC=C[*:1] O=C(C=C[*:1])Nc1ccc(cc1)C(=O)NCc1ccc(F)cc1
C/C=C/C=C\C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 C/C=C/C=C[*:1] O=C(NCc1ccc(F)cc1)c1ccc(cc1)NC(=O)[*:1]
C/C=C/C=C\C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] C/C=C/C=C\C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C/C=C/C=C\C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 C/C=C/C=C\C(=O)N[*:1] O=C(NCc1ccc(F)cc1)c1ccc(cc1)[*:1]
C/C=C/C=C\C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C/C=C/C=C\C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
Cc1cc2nccc([C@@H]3CCCN(C(=O)c4ccc(N(C)C)cc4)C3)n2n1 CN(C)[*:1] Cc1cc2nccc([C@@H]3CCCN(C3)C(=O)c3ccc(cc3)[*:1])n2n1
Cc1cc2nccc([C@@H]3CCCN(C(=O)c4ccc(N(C)C)cc4)C3)n2n1 CN(C)c1ccc(cc1)[*:1] Cc1cc2nccc([C@@H]3CCCN(C3)C(=O)[*:1])n2n1
C[C@@H](C(=O)Nc1ccc(N2CCNC2=O)cc1)c1ccc2ccccc2c1 O=C1NCCN1[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])c1ccc2ccccc2c1
O=C(CN1CCO[C@@H](c2ccccc2)C1)Nc1nc2c(s1)CCCC2 c1ccc(cc1)[*:1] O=C(CN1CCO[C@@H](C1)[*:1])Nc1nc2CCCCc2s1
CCCC(=O)NCC(=O)N1CCCC[C@@H]1Cc1ccccc1 CCC[*:1] O=C(CNC(=O)[*:1])N1CCCC[C@@H]1Cc1ccccc1
CCCC(=O)NCC(=O)N1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CCCC(=O)NCC(=O)N1CCCC[C@H]1[*:1]
CCCC(=O)NCC(=O)N1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CCCC(=O)NCC(=O)N1CCCC[C@@H]1C[*:1]
CCCC(=O)NCC(=O)N1CCCC[C@@H]1Cc1ccccc1 CCCC(=O)N[*:1] O=C(C[*:1])N1CCCC[C@@H]1Cc1ccccc1
CCCC(=O)NCC(=O)N1CCCC[C@@H]1Cc1ccccc1 CCCC(=O)NC[*:1] O=C(N1CCCC[C@@H]1Cc1ccccc1)[*:1]
CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)NC[C@H]4CCCO4)c(=O)c3c2)CC1 CC1CCN(CC1)S(=O)(=O)[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[*:1])NC[C@H]1CCCO1
C[C@H]([NH2+][C@@H]1C[C@@H]2CCCc3cccc1c32)c1cccnc1Cl Clc1ncccc1[*:1] C[C@H]([NH2+][C@@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
COc1ccc([C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H](C1CCOCC1)[*:1]
COc1ccc([C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C2CCOCC2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H](NC(=O)NCc1ccccc1[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])[*:1]
COc1ccc([C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C2CCOCC2)cc1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(cc1)[C@@H](NC(=O)NC[*:1])C1CCOCC1
Cc1ccc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)NNC(=O)CO[*:1]
Cc1ccc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)NNS(=O)(=O)[*:1]
Cc1cc(CCNC(=O)C2CCCC2)on1 C1CCC(C1)[*:1] Cc1cc(CCNC(=O)[*:1])on1
COc1ccc2ccccc2c1CN(C(=O)Cc1ccon1)C1CCCC1 C1CCC(C1)[*:1] COc1ccc2ccccc2c1CN(C(=O)Cc1ccon1)[*:1]
COc1ccc2ccccc2c1CN(C(=O)Cc1ccon1)C1CCCC1 c1cc(no1)[*:1] COc1ccc2ccccc2c1CN(C(=O)C[*:1])C1CCCC1
COc1ccc2ccccc2c1CN(C(=O)Cc1ccon1)C1CCCC1 c1cc(C[*:1])no1 COc1ccc2ccccc2c1CN(C(=O)[*:1])C1CCCC1
Cc1cccc([C@@H]2CCCN2Cn2c(CCC3CCCC3)n[nH]c2=S)c1 C1CCC(C1)C[*:1] Cc1cccc(c1)[C@@H]1CCCN1Cn1c(C[*:1])n[nH]c1=S
Cc1cccc([C@@H]2CCCN2Cn2c(CCC3CCCC3)n[nH]c2=S)c1 C1CCC(C1)[*:1] Cc1cccc(c1)[C@@H]1CCCN1Cn1c(CC[*:1])n[nH]c1=S
Cc1cccc([C@@H]2CCCN2Cn2c(CCC3CCCC3)n[nH]c2=S)c1 C1CCC(C1)CC[*:1] Cc1cccc(c1)[C@@H]1CCCN1Cn1c(n[nH]c1=S)[*:1]
Cc1cccc([C@@H]2CCCN2Cn2c(CCC3CCCC3)n[nH]c2=S)c1 Cc1cccc(c1)[*:1] S=c1[nH]nc(CCC2CCCC2)n1CN1CCC[C@H]1[*:1]
C[C@@H](C#N)Sc1nc(C2CC2)nc2ccccc12 C1CC1[*:1] C[C@@H](C#N)Sc1nc(nc2ccccc12)[*:1]
CC(C)[C@H]([NH2+][C@@H](C)c1nccs1)c1nnc2ccccn12 CC(C)[*:1] C[C@H]([NH2+][C@H](c1nnc2ccccn12)[*:1])c1nccs1
CC(C)[C@H]([NH2+][C@@H](C)c1nccs1)c1nnc2ccccn12 c1csc(n1)[*:1] CC(C)[C@H]([NH2+][C@@H](C)[*:1])c1nnc2ccccn12
CC(C)[C@@H](CNC(=O)NCC1C(C)(C)C1(C)C)C(=O)[O-] CC(C)[*:1] CC1(C)C(CNC(=O)NC[C@@H](C(=O)[O-])[*:1])C1(C)C
CC(C)[C@@H](CNC(=O)NCC1C(C)(C)C1(C)C)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](CNC(=O)NCC1C(C)(C)C1(C)C)[*:1]
O=C1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CCN1c1ccccc1F Fc1ccc(cc1)[*:1] O=C1[C@H](CCN1c1ccccc1F)NS(=O)(=O)[*:1]
O=C1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CCN1c1ccccc1F Fc1ccccc1[*:1] O=C1[C@H](CCN1[*:1])NS(=O)(=O)c1ccc(F)cc1
CCN(C[C@H](C)C#N)C(=O)CSc1nccn1-c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(C[C@H](C)C#N)C(=O)CSc1nccn1[*:1]
O=C(COc1ccccc1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1nc(cs1)-c1cccc(c1)C(F)(F)F
O=C(COc1ccccc1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1nc(cs1)-c1cccc(c1)C(F)(F)F
O=C(COc1ccccc1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 FC(F)(F)[*:1] O=C(COc1ccccc1)Nc1nc(cs1)-c1cccc(c1)[*:1]
O=C(COc1ccccc1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 c1ccc(cc1)OC[*:1] O=C(Nc1nc(cs1)-c1cccc(c1)C(F)(F)F)[*:1]
c1nc(N2CCOCC2)ncc1CNCC1([NH+]2CCCCC2)CCCCC1 C1CN(CCO1)[*:1] c1nc(ncc1CNCC1(CCCCC1)[NH+]1CCCCC1)[*:1]
COc1cccc(-n2c(SCC(=O)Nc3ccccc3Cl)nc3[nH]nc(C)c3c2=[NH2+])c1 O=C(Nc1ccccc1Cl)[*:1] COc1cccc(c1)-n1c(nc2[nH]nc(C)c2c1=[NH2+])SC[*:1]
COc1cccc(-n2c(SCC(=O)Nc3ccccc3Cl)nc3[nH]nc(C)c3c2=[NH2+])c1 Clc1ccccc1[*:1] COc1cccc(c1)-n1c(nc2[nH]nc(C)c2c1=[NH2+])SCC(=O)N[*:1]
COc1cccc(-n2c(SCC(=O)Nc3ccccc3Cl)nc3[nH]nc(C)c3c2=[NH2+])c1 COc1cccc(c1)[*:1] Cc1n[nH]c2nc(SCC(=O)Nc3ccccc3Cl)n(c(=[NH2+])c12)[*:1]
O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)[*:1]
CC(C)CC[C@@H](C)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O CC(C)C[*:1] C[C@@H](C(=O)N[C@H](C)C[*:1])N1C(=O)[C@H]2CCCC[C@H]2C1=O
CC(C)CC[C@@H](C)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O CC(C)CC[C@@H](C)[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)[C@H]2CCCC[C@H]2C1=O
CC(C)CC[C@@H](C)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O CC(C)[*:1] C[C@@H](C(=O)N[C@H](C)CC[*:1])N1C(=O)[C@H]2CCCC[C@H]2C1=O
CC(C)CC[C@@H](C)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O CC(C)CC[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])N1C(=O)[C@H]2CCCC[C@H]2C1=O
C[C@H](c1ccccc1)S(=O)(=O)c1ccccc1Br c1ccc(cc1)[*:1] C[C@H](S(=O)(=O)c1ccccc1Br)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N[C@H](c2ccccc2)C2CCC2)c1 C1CC(C1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N[C@H](c1ccccc1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N[C@H](c2ccccc2)C2CCC2)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])N[C@H](c1ccccc1)C1CCC1
CC(=O)N(C)c1cccc(NC(=O)N[C@H](c2ccccc2)C2CCC2)c1 c1ccc(cc1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N[C@H](C1CCC1)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)C[NH+]2CCc3n[nH]cc3C2)cc1 CCOC(=O)C=C[*:1] O=C(C[NH+]1CCc2n[nH]cc2C1)Nc1ccc(cc1)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)C[NH+]2CCc3n[nH]cc3C2)cc1 CCOC(=O)[*:1] O=C(C[NH+]1CCc2n[nH]cc2C1)Nc1ccc(C=C[*:1])cc1
CC1(C)CO[C@H](c2ccccc2)CN1C(=O)Cn1ccc(C(F)(F)F)n1 FC(F)(F)[*:1] CC1(C)CO[C@@H](CN1C(=O)Cn1ccc(n1)[*:1])c1ccccc1
CC1(C)CO[C@H](c2ccccc2)CN1C(=O)Cn1ccc(C(F)(F)F)n1 c1ccc(cc1)[*:1] CC1(C)CO[C@H](CN1C(=O)Cn1ccc(n1)C(F)(F)F)[*:1]
Cc1n[nH]cc1CNC(=O)c1ccncc1C#CC[NH3+] Cc1n[nH]cc1[*:1] [NH3+]CC#Cc1cnccc1C(=O)NC[*:1]
Cc1nc(CN(C)C(=O)N[C@@H](C)COc2ccccc2F)cs1 Fc1ccccc1[*:1] Cc1nc(cs1)CN(C)C(=O)N[C@@H](C)CO[*:1]
Cc1nc(CN(C)C(=O)N[C@@H](C)COc2ccccc2F)cs1 Cc1nc(cs1)[*:1] C[C@@H](COc1ccccc1F)NC(=O)N(C)C[*:1]
Cc1nc(CN(C)C(=O)N[C@@H](C)COc2ccccc2F)cs1 Cc1nc(cs1)C[*:1] C[C@@H](COc1ccccc1F)NC(=O)N(C)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@]1(O)Cc1ccc(O)cc1 CS(=O)(=O)[*:1] Oc1ccc(cc1)C[C@@]1(O)CCC[C@H]1[*:1]
Cc1cc(C)cc(Oc2ccc(NC(=O)N(C)CCC#N)cc2)c1 N#CC[*:1] Cc1cc(C)cc(c1)Oc1ccc(cc1)NC(=O)N(C)C[*:1]
Cc1cc(C)cc(Oc2ccc(NC(=O)N(C)CCC#N)cc2)c1 Cc1cc(C)cc(c1)[*:1] CN(CCC#N)C(=O)Nc1ccc(cc1)O[*:1]
Cc1cc(C)cc(Oc2ccc(NC(=O)N(C)CCC#N)cc2)c1 N#CCC[*:1] Cc1cc(C)cc(c1)Oc1ccc(cc1)NC(=O)N(C)[*:1]
CCCn1nccc1C(=O)NC[C@@H](O)c1ccc(C(C)C)cc1 CC(C)[*:1] CCCn1nccc1C(=O)NC[C@@H](O)c1ccc(cc1)[*:1]
CCCn1nccc1C(=O)NC[C@@H](O)c1ccc(C(C)C)cc1 CCC[*:1] CC(C)c1ccc(cc1)[C@H](O)CNC(=O)c1ccnn1[*:1]
Cc1cc(CSc2nnc(-c3ccc(Cl)cc3)o2)no1 Cc1cc(no1)[*:1] Clc1ccc(cc1)-c1nnc(o1)SC[*:1]
CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccccc3)C3=C2C(=O)OC3)cc1 O=C(Nc1ccccc1)[*:1] CSc1ccc(cc1)[C@H]1NC(=O)N(C[*:1])C2COC(=O)C=21
CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccccc3)C3=C2C(=O)OC3)cc1 CSc1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@@H](C2C(=O)OCC=21)[*:1])Nc1ccccc1
CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccccc3)C3=C2C(=O)OC3)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)[C@H]1NC(=O)N(CC(=O)N[*:1])C2COC(=O)C=21
O=c1[nH]c2ccccc2n1CC[C@@H]1[NH+]=C(c2cccnc2)NO1 c1cncc(c1)[*:1] O=c1[nH]c2ccccc2n1CC[C@@H]1[NH+]=C(NO1)[*:1]
C=CCn1c(=O)oc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc21 C=CC[*:1] O=C(c1ccc2oc(=O)n(c2c1)[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)c1ccc(Br)o1
O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 Brc1ccc(o1)[*:1] O=C(NC[C@H]1CCCO1)c1ccc(cc1)NC(=O)[*:1]
O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 C1CO[C@H](C1)C[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1ccc(Br)o1
Cc1cccc(OCCNC(=O)/C=C/C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)OCCNC(=O)C=C[*:1]
Cc1cccc(OCCNC(=O)/C=C/C2CC2)c1 C(=C[*:1])C1CC1 Cc1cccc(c1)OCCNC(=O)[*:1]
C#CCN(C(=O)NCCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] C#CCN(C(=O)NCCC[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)NCCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)CC[*:1] C#CCN(C(=O)NC[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)NCCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)C[*:1] C#CCN(C(=O)NCC[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)NCCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)NCCCC1CCCC1)[*:1]
C#CCN(C(=O)NCCCC1CCCC1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(NCCCC1CCCC1)N([C@H]1CCS(=O)(=O)C1)[*:1]
CON(C)S(=O)(=O)c1cc(NC(=O)c2cnc3sccn3c2=O)ccc1Cl CON(C)S(=O)(=O)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1cnc2sccn2c1=O
Cc1nc2oc3c(=O)n(CC(=O)c4ccc(Br)cc4)cnc3c2c2c1COC(C)(C)C2 O=C(c1ccc(Br)cc1)[*:1] Cc1nc2oc3c(=O)n(cnc3c2c2CC(C)(C)OCc12)C[*:1]
Cc1nc2oc3c(=O)n(CC(=O)c4ccc(Br)cc4)cnc3c2c2c1COC(C)(C)C2 Brc1ccc(cc1)[*:1] Cc1nc2oc3c(=O)n(cnc3c2c2CC(C)(C)OCc12)CC(=O)[*:1]
Cc1nc2oc3c(=O)n(CC(=O)c4ccc(Br)cc4)cnc3c2c2c1COC(C)(C)C2 O=C(C[*:1])c1ccc(Br)cc1 Cc1nc2oc3c(=O)n(cnc3c2c2CC(C)(C)OCc12)[*:1]
CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc1 c1cncc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc1 CC(C)[*:1] O=C(c1cccnc1)N1CCC(CC1)CNS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc1 CC(C)C(=O)N[*:1] O=C(c1cccnc1)N1CCC(CC1)CNS(=O)(=O)c1ccc(cc1)[*:1]
O=C(NCCN1CCN(c2ncccn2)CC1)N1CCC1 O=C(N[*:1])N1CCC1 c1cnc(nc1)N1CCN(CC1)CC[*:1]
O=C(NCCN1CCN(c2ncccn2)CC1)N1CCC1 c1cnc(nc1)[*:1] O=C(NCCN1CCN(CC1)[*:1])N1CCC1
CS(=O)(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O CS(=O)(=O)N[*:1] O[C@H]1CC[C@@H](Cc2cc(on2)-c2ccc(F)cc2)O[C@@H]1C[*:1]
CS(=O)(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O Fc1ccc(cc1)[*:1] CS(=O)(=O)NC[C@H]1O[C@@H](CC[C@@H]1O)Cc1cc(on1)[*:1]
CS(=O)(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O CS(=O)(=O)NC[*:1] O[C@H]1CC[C@@H](Cc2cc(on2)-c2ccc(F)cc2)O[C@@H]1[*:1]
O=C(NCC[C@@H](O)c1ccco1)C1(c2cccs2)CCCC1 O[C@@H](c1ccco1)[*:1] O=C(NCC[*:1])C1(CCCC1)c1cccs1
O=C(NCC[C@@H](O)c1ccco1)C1(c2cccs2)CCCC1 c1csc(c1)[*:1] O=C(NCC[C@@H](O)c1ccco1)C1(CCCC1)[*:1]
O=C(NCC[C@@H](O)c1ccco1)C1(c2cccs2)CCCC1 c1coc(c1)[*:1] O=C(NCC[C@@H](O)[*:1])C1(CCCC1)c1cccs1
CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 Clc1ccc(cc1)C[*:1] CN(C(=O)c1ccc(cc1)OC[C@H]1CCCO1)[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 Clc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)OC[C@H]1CCCO1
CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 C1CO[C@H](C1)CO[*:1] CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(cc1)[*:1]
COc1cc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc(OC)c1OC O=[N+]([O-])[*:1] COc1cc(cc(OC)c1OC)C(=O)Oc1cc(C)[nH]c(=O)c1[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCc2ccc(F)cc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(F)ccc1CCNC(=O)[C@H]1CCC(=O)N1C[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCc2ccc(F)cc2C)cc1 Cc1cc(F)ccc1[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)NCC[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCc2ccc(F)cc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(F)ccc1CCNC(=O)[C@H]1CCC(=O)N1[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCc2ccc(F)cc2C)cc1 Cc1cc(F)ccc1C[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)NC[*:1]
O=C(N/N=C/c1ccccc1F)c1ccn(Cc2ccc(Br)cc2)n1 Fc1ccccc1[*:1] O=C(NN=C[*:1])c1ccn(Cc2ccc(Br)cc2)n1
O=C(N/N=C/c1ccccc1F)c1ccn(Cc2ccc(Br)cc2)n1 Brc1ccc(cc1)C[*:1] O=C(N/N=C/c1ccccc1F)c1ccn(n1)[*:1]
O=C(N/N=C/c1ccccc1F)c1ccn(Cc2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] O=C(N/N=C/c1ccccc1F)c1ccn(C[*:1])n1
CO[C@H](C)[C@@H]([NH3+])c1ccc(C(C)C)cc1 CO[C@H](C)[*:1] CC(C)c1ccc(cc1)[C@H]([NH3+])[*:1]
CO[C@H](C)[C@@H]([NH3+])c1ccc(C(C)C)cc1 CC(C)[*:1] CO[C@H](C)[C@@H]([NH3+])c1ccc(cc1)[*:1]
CCCCN(C)C(=O)C(=O)Nc1ccc(C)cc1F CCCC[*:1] Cc1ccc(NC(=O)C(=O)N(C)[*:1])c(F)c1
CCCCN(C)C(=O)C(=O)Nc1ccc(C)cc1F CCC[*:1] Cc1ccc(NC(=O)C(=O)N(C)C[*:1])c(F)c1
CCC[NH2+]Cc1ccc(Br)cc1N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] CCC[NH2+]Cc1ccc(Br)cc1N(C)[*:1]
CCC[NH2+]Cc1ccc(Br)cc1N(C)Cc1ccccc1 c1ccc(cc1)[*:1] CCC[NH2+]Cc1ccc(Br)cc1N(C)C[*:1]
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(C)cc1)S(C)(=O)=O Cc1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1cc(ccc1C)[N+](=O)[O-])N(S(C)(=O)=O)[*:1]
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(C)cc1)S(C)(=O)=O O=[N+]([O-])[*:1] CC[C@H](C(=O)Nc1cc(ccc1C)[*:1])N(c1ccc(C)cc1)S(C)(=O)=O
C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCC(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCC(C)(C)[*:1]
Cc1cccc(OC(=O)C[C@H](C)C(=O)c2cccc(F)c2)c1 Cc1cccc(c1)[*:1] C[C@@H](CC(=O)O[*:1])C(=O)c1cccc(F)c1
Cc1cccc(OC(=O)C[C@H](C)C(=O)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1)OC(=O)C[C@H](C)C(=O)[*:1]
CCn1ncc2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21 FC(F)(F)[*:1] CCn1ncc2c(cc(nc21)-c1cccc(c1)OC(F)F)[*:1]
CCn1ncc2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21 FC(F)O[*:1] CCn1ncc2c(cc(nc21)-c1cccc(c1)[*:1])C(F)(F)F
CCn1ncc2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21 FC(F)[*:1] CCn1ncc2c(cc(nc21)-c1cccc(c1)O[*:1])C(F)(F)F
Cc1cc(C(=O)NCCOc2ccc(C(C)C)cc2)cc(S(N)(=O)=O)c1C CC(C)[*:1] Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)NCCOc1ccc(cc1)[*:1]
Cc1cc(C(=O)NCCOc2ccc(C(C)C)cc2)cc(S(N)(=O)=O)c1C CC(C)c1ccc(cc1)[*:1] Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)NCCO[*:1]
Cc1cc(C(=O)NCCOc2ccc(C(C)C)cc2)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)NCCOc1ccc(cc1)C(C)C
COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(CNC(N)=O)cc2)c1 NC(=O)NC[*:1] COc1ccc(OC)c(c1)[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(CNC(N)=O)cc2)c1 NC(=O)N[*:1] COc1ccc(OC)c(c1)[C@@H](C)NC(=O)Nc1ccc(cc1)C[*:1]
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2[O-])S/C1=N\c1ccc(C(=O)[O-])cc1 O=[N+]([O-])[*:1] CCN1C(=O)/C(=C/c2cc(ccc2[O-])[*:1])S/C1=N\c1ccc(cc1)C(=O)[O-]
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2[O-])S/C1=N\c1ccc(C(=O)[O-])cc1 O=C([O-])c1ccc(cc1)[*:1] CCN1C(=O)/C(=C/c2cc(ccc2[O-])[N+](=O)[O-])SC1=N[*:1]
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2[O-])S/C1=N\c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CCN1C(=O)/C(=C/c2cc(ccc2[O-])[N+](=O)[O-])S/C1=N\c1ccc(cc1)[*:1]
C#CCC[C@@H]([NH2+]C)[C@]1([NH+](C)C)CCC[C@H](C)C1 C#CC[*:1] C[NH2+][C@H](C[*:1])[C@@]1(CCC[C@H](C)C1)[NH+](C)C
C#CCC[C@@H]([NH2+]C)[C@]1([NH+](C)C)CCC[C@H](C)C1 C#CCC[*:1] C[NH2+][C@@H]([C@@]1(CCC[C@H](C)C1)[NH+](C)C)[*:1]
O=C(NC[C@@H](NC(=O)c1ccc2nncn2c1)C1CCCCC1)c1ccc2nncn2c1 c1cc2nncn2cc1[*:1] O=C(N[C@H](CNC(=O)[*:1])C1CCCCC1)c1ccc2nncn2c1
O=C(NC[C@@H](NC(=O)c1ccc2nncn2c1)C1CCCCC1)c1ccc2nncn2c1 c1cc2nncn2cc1[*:1] O=C(NC[C@@H](NC(=O)[*:1])C1CCCCC1)c1ccc2nncn2c1
O=C(NC[C@@H](NC(=O)c1ccc2nncn2c1)C1CCCCC1)c1ccc2nncn2c1 C1CCC(CC1)[*:1] O=C(NC[C@@H](NC(=O)c1ccc2nncn2c1)[*:1])c1ccc2nncn2c1
C[C@H]1C[NH2+]CCN1c1nc2cc([N+](=O)[O-])ccc2o1 O=[N+]([O-])[*:1] C[C@H]1C[NH2+]CCN1c1nc2cc(ccc2o1)[*:1]
CCc1nc(N2CCC[C@@H](CCCOC)C2)no1 COCC[*:1] CCc1nc(no1)N1CCC[C@H](C1)C[*:1]
CCc1nc(N2CCC[C@@H](CCCOC)C2)no1 COCCC[*:1] CCc1nc(no1)N1CCC[C@@H](C1)[*:1]
CCc1nc(N2CCC[C@@H](CCCOC)C2)no1 COC[*:1] CCc1nc(no1)N1CCC[C@@H](CC[*:1])C1
O=C(NC[C@H]1OCCc2ccccc21)c1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 O=C(NC[C@H]1OCCc2ccccc21)c1ccc(cc1)[*:1]
O=C(NC[C@H]1OCCc2ccccc21)c1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] O=C(NC[C@H]1OCCc2ccccc21)c1ccc(cc1)NC(=O)[*:1]
C[C@H]1CSC(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)=N1 Fc1cccc(c1)[*:1] C[C@H]1CSC(=N1)S[C@@H](C)C(=O)N(C)C[*:1]
C[NH+](C)[C@@H](CNC(=O)Nc1cccc(N2CCOC2=O)c1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1cccc(c1)N1CCOC1=O)[*:1]
C[NH+](C)[C@@H](CNC(=O)Nc1cccc(N2CCOC2=O)c1)c1ccccc1 O=C1OCCN1[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1cccc(c1)[*:1])c1ccccc1
C[C@@H]1NC(=S)N([C@H]2CCC[C@H](C(F)(F)F)C2)C1=O FC(F)(F)[*:1] C[C@@H]1NC(=S)N(C1=O)[C@H]1CCC[C@H](C1)[*:1]
O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)Nc1ccc(Cl)cc1 Fc1ccccc1[*:1] O=C(CSc1nnc(CNC(=O)[*:1])o1)Nc1ccc(Cl)cc1
O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)N[*:1]
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)CCc1cc(F)ccc1F COC(=O)[*:1] O=C(CCc1cc(F)ccc1F)N[C@@H]1CCCC[C@H]1[*:1]
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 Clc1ccc(c(Cl)c1)[*:1] N#CC1=C(N)OC2CCCC(=O)C=2[C@@H]1c1ccc(o1)[*:1]
C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)[C@@H](C)CO1 Fc1ccc(c(F)c1)[*:1] C[C@H]1CN(C(=O)C2CCN(CC2)C(=O)[*:1])[C@@H](C)CO1
CC[n+]1cn(C[C@@H](O)COc2ccc(F)cc2)c2ccccc21 Fc1ccc(cc1)[*:1] CC[n+]1cn(C[C@@H](O)CO[*:1])c2ccccc21
COCCN1C[C@@H](C(=O)[C@H](C#N)c2nc(C(C)C)cs2)CC1=O CC(C)[*:1] COCCN1C[C@H](CC1=O)C(=O)[C@H](C#N)c1nc(cs1)[*:1]
COCCN1C[C@@H](C(=O)[C@H](C#N)c2nc(C(C)C)cs2)CC1=O COC[*:1] CC(C)c1csc(n1)[C@@H](C#N)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@@H](C(=O)[C@H](C#N)c2nc(C(C)C)cs2)CC1=O COCC[*:1] CC(C)c1csc(n1)[C@@H](C#N)C(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H]([C@@H](C)N(C)C(=O)CSc1ccc(F)c(F)c1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)CSc1ccc(F)c(F)c1)[*:1]
COCCCNc1ncnc(Nc2cc(F)ccc2F)c1N COCCCN[*:1] Nc1c(ncnc1[*:1])Nc1cc(F)ccc1F
COCCCNc1ncnc(Nc2cc(F)ccc2F)c1N COCCC[*:1] Nc1c(ncnc1N[*:1])Nc1cc(F)ccc1F
COCCCNc1ncnc(Nc2cc(F)ccc2F)c1N COCC[*:1] Nc1c(ncnc1Nc1cc(F)ccc1F)NC[*:1]
COCCCNc1ncnc(Nc2cc(F)ccc2F)c1N COC[*:1] Nc1c(ncnc1Nc1cc(F)ccc1F)NCC[*:1]
CCOC(=O)C1CCN(C(=O)C2(c3cc(-c4ccco4)on3)CC2)CC1 c1coc(c1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)C1(CC1)c1cc(on1)[*:1]
CCOC(=O)C1CCN(C(=O)C2(c3cc(-c4ccco4)on3)CC2)CC1 CCOC(=O)[*:1] O=C(N1CCC(CC1)[*:1])C1(CC1)c1cc(on1)-c1ccco1
CC(C)N1C(N)=[NH+]C[C@]1(C)c1ccccc1F CC(C)[*:1] C[C@@]1(C[NH+]=C(N)N1[*:1])c1ccccc1F
Cc1n[nH]c(C(=O)N2CCN(S(C)(=O)=O)CC2)n1 Cc1n[nH]c(n1)[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2ccccc2Br)C1 NC(=O)[*:1] CC(C)[NH2+][C@@]1(CC[C@H](C1)Sc1ccccc1Br)[*:1]
CC(C)[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2ccccc2Br)C1 CC(C)[*:1] NC(=O)[C@]1(CC[C@H](C1)Sc1ccccc1Br)[NH2+][*:1]
CNC(=O)c1nc2ccccc2c(=O)n1CCOC CNC(=O)[*:1] COCCn1c(nc2ccccc2c1=O)[*:1]
CNC(=O)c1nc2ccccc2c(=O)n1CCOC COC[*:1] CNC(=O)c1nc2ccccc2c(=O)n1C[*:1]
CNC(=O)c1nc2ccccc2c(=O)n1CCOC COCC[*:1] CNC(=O)c1nc2ccccc2c(=O)n1[*:1]
COc1ccc([C@H]([NH2+]Cc2ccccc2F)C2CCOCC2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)[C@H]([NH2+]C[*:1])C1CCOCC1
COc1ccc([C@H]([NH2+]Cc2ccccc2F)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H]([NH2+]Cc1ccccc1F)[*:1]
COc1ccc([C@H]([NH2+]Cc2ccccc2F)C2CCOCC2)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)[C@H]([NH2+][*:1])C1CCOCC1
COc1ccc([C@H]([NH2+]Cc2ccccc2F)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Fc1ccccc1C[NH2+][C@H](C1CCOCC1)[*:1]
O=C(NCCCn1cc[nH+]c1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1Cl)[*:1] O=C(NCCCn1cc[nH+]c1)N1CCO[C@H](C1)[*:1]
CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)N2CCCC2)cc1 CCC[*:1] CCCN(C(=O)c1ccc(cc1)NC(=O)C(=O)N1CCCC1)[*:1]
COc1ccccc1[C@@H]1OCCn2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c21 COc1ccccc1[*:1] Cn1c(=O)c2c(-c3ccccc3)n3CCO[C@H](c3c2n(C)c1=O)[*:1]
COc1ccccc1[C@@H]1OCCn2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c21 c1ccc(cc1)[*:1] COc1ccccc1[C@@H]1OCCn2c(c3c(=O)n(C)c(=O)n(C)c3c21)[*:1]
CCCn1cc(NC(=O)NNc2cccc(C#N)c2)cn1 CCC[*:1] N#Cc1cccc(c1)NNC(=O)Nc1cnn(c1)[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1C CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@H]1CCCC[C@H]1C
CN(C)C(=O)CSc1ccc(C(=O)[O-])cc1 CN(C)C(=O)[*:1] O=C([O-])c1ccc(cc1)SC[*:1]
CN(C)C(=O)CSc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CN(C)C(=O)CSc1ccc(cc1)[*:1]
COc1cccc(C(=O)N2CCC[C@@H]2C[C@H](C)O)c1OC C[C@H](O)C[*:1] COc1cccc(C(=O)N2CCC[C@H]2[*:1])c1OC
COc1cccc(C(=O)N2CCC[C@@H]2C[C@H](C)O)c1OC C[C@H](O)[*:1] COc1cccc(C(=O)N2CCC[C@@H]2C[*:1])c1OC
C=CCNC(=O)c1ccc(NCc2cn3c(C)cccc3[nH+]2)nc1 C=CCNC(=O)[*:1] Cc1cccc2[nH+]c(cn12)CNc1ccc(cn1)[*:1]
C=CCNC(=O)c1ccc(NCc2cn3c(C)cccc3[nH+]2)nc1 C=CC[*:1] Cc1cccc2[nH+]c(cn12)CNc1ccc(cn1)C(=O)N[*:1]
COC(=O)c1ccc(C(=O)Nc2cn(C)c(=O)cc2C)cc1 COC(=O)[*:1] Cc1cc(=O)n(C)cc1NC(=O)c1ccc(cc1)[*:1]
CCC[C@H]1CN(C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)CCO1 CCC[*:1] COc1cc(c(Cl)cc1C(=O)N1CCO[C@H](C1)[*:1])-n1cnnn1
CCC[C@H]1CN(C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)CCO1 c1nnnn1[*:1] CCC[C@H]1CN(CCO1)C(=O)c1cc(Cl)c(cc1OC)[*:1]
CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 O=[N+]([O-])[*:1] CC(=O)N1CC[C@H](C1)[NH2+][C@H](C)c1c[nH]c2ccc(cc12)[*:1]
CCn1/c(=N/C(=O)[C@@H](C)COC)[nH]c2cc(Cl)ccc21 COC[*:1] CCn1/c(=N/C(=O)[C@@H](C)[*:1])[nH]c2cc(Cl)ccc21
CSc1ncc(CNc2cc(-c3ccccc3)nc3ccnn23)n1C CSc1ncc(n1C)[*:1] c1ccc(cc1)-c1cc(NC[*:1])n2nccc2n1
CSc1ncc(CNc2cc(-c3ccccc3)nc3ccnn23)n1C c1ccc(cc1)[*:1] CSc1ncc(CNc2cc(nc3ccnn23)[*:1])n1C
Cc1cccc(C2(C(=O)NCCc3ccc(C(F)(F)F)cc3)CCOCC2)c1 FC(F)(F)[*:1] Cc1cccc(c1)C1(CCOCC1)C(=O)NCCc1ccc(cc1)[*:1]
Cc1cccc(C2(C(=O)NCCc3ccc(C(F)(F)F)cc3)CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(NCCc1ccc(cc1)C(F)(F)F)C1(CCOCC1)[*:1]
CNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 CNC(=O)[*:1] c1ccc2c(c1)nc(SC[*:1])n1c3ccccc3nc21
CNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 CNC(=O)CS[*:1] c1ccc2c(c1)nc(n1c3ccccc3nc21)[*:1]
CNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 CNC(=O)C[*:1] c1ccc2c(c1)nc(S[*:1])n1c3ccccc3nc21
CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(NC(C)C)c1 CC(C)N[*:1] CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(c1)[*:1]
CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(NC(C)C)c1 CC(C)[*:1] CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(c1)N[*:1]
Cc1noc(C)c1C[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N Cc1noc(C)c1[*:1] C[C@@H](C[*:1])Nc1nc(ccc1C#N)C(F)(F)F
Cc1noc(C)c1C[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N FC(F)(F)[*:1] Cc1noc(C)c1C[C@H](C)Nc1nc(ccc1C#N)[*:1]
N#CCCN(Cc1ccccn1)Cc1n[nH]c(=O)[nH]1 O=c1[nH]nc([nH]1)[*:1] N#CCCN(Cc1ccccn1)C[*:1]
N#CCCN(Cc1ccccn1)Cc1n[nH]c(=O)[nH]1 N#CC[*:1] O=c1[nH]nc(CN(Cc2ccccn2)C[*:1])[nH]1
N#CCCN(Cc1ccccn1)Cc1n[nH]c(=O)[nH]1 N#CCC[*:1] O=c1[nH]nc(CN(Cc2ccccn2)[*:1])[nH]1
N#CCCN(Cc1ccccn1)Cc1n[nH]c(=O)[nH]1 c1ccc(nc1)[*:1] N#CCCN(Cc1n[nH]c(=O)[nH]1)C[*:1]
CC[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C O=C([O-])[*:1] CC[C@@H](C)N(C)S(=O)(=O)c1cc(c(C)cc1C)[*:1]
CC[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C CC[C@@H](C)[*:1] Cc1cc(C)c(cc1C(=O)[O-])S(=O)(=O)N(C)[*:1]
CC(C)[C@@H](O)[C@H](C)c1ccc(Cl)c(Cl)c1 CC(C)[*:1] C[C@H](c1ccc(Cl)c(Cl)c1)[C@H](O)[*:1]
CC(C)[C@@H](O)[C@H](C)c1ccc(Cl)c(Cl)c1 CC(C)[C@@H](O)[*:1] C[C@H](c1ccc(Cl)c(Cl)c1)[*:1]
C[C@@H](NC(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(C[C@@H]1CSc2nc3CCCCc3c(=O)n21)N[*:1]
C[C@@H](NC(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C[C@@H]1CSc2nc3CCCCc3c(=O)n21)[*:1]
O=C([O-])c1cc(-c2cncnc2)cc(S(=O)(=O)N2CCCC2)c1 O=C([O-])[*:1] O=S(=O)(c1cc(cc(c1)[*:1])-c1cncnc1)N1CCCC1
O=C([O-])c1cc(-c2cncnc2)cc(S(=O)(=O)N2CCCC2)c1 c1ncc(cn1)[*:1] O=C([O-])c1cc(cc(c1)[*:1])S(=O)(=O)N1CCCC1
C=CCNC(=O)N1CCN(c2nc3ccc(OCC)cc3s2)CC1 C=CC[*:1] CCOc1ccc2nc(sc2c1)N1CCN(CC1)C(=O)N[*:1]
C=CCNC(=O)N1CCN(c2nc3ccc(OCC)cc3s2)CC1 CCO[*:1] C=CCNC(=O)N1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
Cc1cc2c(c(SCC(=O)Nc3ccccc3C(F)(F)F)n1)C(=O)OC2 FC(F)(F)[*:1] Cc1cc2COC(=O)c2c(n1)SCC(=O)Nc1ccccc1[*:1]
CCCCOc1ccc(C(=O)N/N=C/C2=c3ccccc3=[NH+]C2)cc1 CCC[*:1] O=C(N/N=C/C1C[NH+]=c2ccccc2=1)c1ccc(cc1)OC[*:1]
CCCCOc1ccc(C(=O)N/N=C/C2=c3ccccc3=[NH+]C2)cc1 CCCCO[*:1] O=C(N/N=C/C1C[NH+]=c2ccccc2=1)c1ccc(cc1)[*:1]
CCCCOc1ccc(C(=O)N/N=C/C2=c3ccccc3=[NH+]C2)cc1 CCCC[*:1] O=C(N/N=C/C1C[NH+]=c2ccccc2=1)c1ccc(cc1)O[*:1]
C[C@@H](Cc1ccco1)N1CCC(=O)NC1=O c1coc(c1)[*:1] C[C@@H](C[*:1])N1CCC(=O)NC1=O
Cc1n[nH]c(SCC(=O)N2c3ccccc3[C@H]3CCCC[C@@H]32)n1 Cc1n[nH]c(n1)S[*:1] O=C(C[*:1])N1c2ccccc2[C@H]2CCCC[C@@H]21
Cc1n[nH]c(SCC(=O)N2c3ccccc3[C@H]3CCCC[C@@H]32)n1 Cc1n[nH]c(n1)[*:1] O=C(CS[*:1])N1c2ccccc2[C@H]2CCCC[C@@H]21
COc1ccc(/C(C)=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 Cc1c(Cl)cccc1[*:1] COc1ccc(cc1)/C(C)=N/NC(=O)CCC(=O)N[*:1]
COc1ccc(/C(C)=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 COc1ccc(cc1)[*:1] CC(=NNC(=O)CCC(=O)Nc1cccc(Cl)c1C)[*:1]
O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(CC(F)(F)C(F)F)CC1 FC(F)C(F)(F)[*:1] O=C(N[C@@H]1CC(=O)N(C1)C1CC1)N1CCN(CC1)C[*:1]
O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(CC(F)(F)C(F)F)CC1 FC(F)C(F)(F)C[*:1] O=C(N[C@@H]1CC(=O)N(C1)C1CC1)N1CCN(CC1)[*:1]
O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(CC(F)(F)C(F)F)CC1 FC(F)[*:1] O=C(N[C@@H]1CC(=O)N(C1)C1CC1)N1CCN(CC1)CC(F)(F)[*:1]
O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(CC(F)(F)C(F)F)CC1 C1CC1[*:1] O=C(N[C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)CC(F)(F)C(F)F
Cc1[nH]ncc1C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 Cc1[nH]ncc1[*:1] C[C@@H](NC(=O)[*:1])c1nc(no1)-c1ccc(Cl)cc1
Cc1[nH]ncc1C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1[nH]ncc1C(=O)N[C@H](C)c1nc(no1)[*:1]
Cc1cc(N(C)[C@H](C)c2ccccn2)nc(C)[nH+]1 c1ccc(nc1)[*:1] Cc1cc(nc(C)[nH+]1)N(C)[C@H](C)[*:1]
CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2cc[n+]([O-])cc2)C1 CCOC(=O)[*:1] Cc1ccccc1C[C@@]1(CCCN(C1)C(=O)c1cc[n+]([O-])cc1)[*:1]
CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2cc[n+]([O-])cc2)C1 Cc1ccccc1C[*:1] CCOC(=O)[C@@]1(CCCN(C1)C(=O)c1cc[n+]([O-])cc1)[*:1]
CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2cc[n+]([O-])cc2)C1 Cc1ccccc1[*:1] CCOC(=O)[C@@]1(CCCN(C1)C(=O)c1cc[n+]([O-])cc1)C[*:1]
CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2cc[n+]([O-])cc2)C1 [O-][n+]1ccc(cc1)[*:1] CCOC(=O)[C@@]1(CCCN(C1)C(=O)[*:1])Cc1ccccc1C
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cn1cnc2ccccc2c1=O COC(=O)[*:1] O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccc(O)cc1)[*:1]
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cn1cnc2ccccc2c1=O Oc1ccc(cc1)[*:1] COC(=O)[C@H](C[*:1])NC(=O)Cn1cnc2ccccc2c1=O
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cn1cnc2ccccc2c1=O Oc1ccc(cc1)C[*:1] COC(=O)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)[*:1]
O=C(CNc1ccc(C(F)(F)F)cc1Cl)NC(=O)NC1CC1 C1CC1[*:1] O=C(CNc1ccc(cc1Cl)C(F)(F)F)NC(=O)N[*:1]
O=C(CNc1ccc(C(F)(F)F)cc1Cl)NC(=O)NC1CC1 FC(F)(F)[*:1] O=C(CNc1ccc(cc1Cl)[*:1])NC(=O)NC1CC1
CC(C)(C)Oc1ccccc1CNc1ccc([N+](=O)[O-])cn1 CC(C)(C)O[*:1] O=[N+]([O-])c1ccc(nc1)NCc1ccccc1[*:1]
CC(C)(C)Oc1ccccc1CNc1ccc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CC(C)(C)Oc1ccccc1CNc1ccc(cn1)[*:1]
CC(C)(C)Oc1ccccc1CNc1ccc([N+](=O)[O-])cn1 CC(C)(C)[*:1] O=[N+]([O-])c1ccc(nc1)NCc1ccccc1O[*:1]
Cc1ccccc1OCCN(C)C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] Cc1ccccc1OCCN(C)C(=O)C[*:1]
Cc1ccccc1OCCN(C)C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] Cc1ccccc1OCCN(C)C(=O)[*:1]
Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCN(c3ccccc3F)CC2)n1 Fc1ccccc1[*:1] Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCN(CC2)[*:1])n1
Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCN(c3ccccc3F)CC2)n1 Cc1ccccc1N[*:1] Nc1nc(C[NH+]2CCN(CC2)c2ccccc2F)nc(n1)[*:1]
Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCN(c3ccccc3F)CC2)n1 Cc1ccccc1[*:1] Nc1nc(C[NH+]2CCN(CC2)c2ccccc2F)nc(n1)N[*:1]
CCCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 CCC[*:1] N#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1OC[*:1]
CCCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CCCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)N[*:1]
CCCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 CCCCO[*:1] N#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1[*:1]
CCCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 CCCC[*:1] N#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1O[*:1]
CCCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] CCCCOc1nc2ccccc2nc1[C@@H](C#N)[*:1]
N#Cc1cc(Cl)ccc1N1CCO[C@@H](C(N)=O)C1 NC(=O)[*:1] N#Cc1cc(Cl)ccc1N1CCO[C@@H](C1)[*:1]
CCSCC[C@@H]1CCC[C@@]1([NH3+])C(=O)[O-] CCS[*:1] [NH3+][C@]1(CCC[C@H]1CC[*:1])C(=O)[O-]
CCSCC[C@@H]1CCC[C@@]1([NH3+])C(=O)[O-] CCSC[*:1] [NH3+][C@]1(CCC[C@H]1C[*:1])C(=O)[O-]
CCSCC[C@@H]1CCC[C@@]1([NH3+])C(=O)[O-] O=C([O-])[*:1] CCSCC[C@@H]1CCC[C@]1([NH3+])[*:1]
COc1ccc(/C=N/NC2=NC(=O)C[C@H](C(=O)Nc3ccc(OC)cc3)S2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CC(=O)N=C(NN=C[*:1])S1
COc1ccc(/C=N/NC2=NC(=O)C[C@H](C(=O)Nc3ccc(OC)cc3)S2)cc1 COc1ccc(cc1)[*:1] COc1ccc(/C=N/NC2=NC(=O)C[C@@H](S2)C(=O)N[*:1])cc1
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCC2(CC1)OCCO2 CC(C)(C)[*:1] C[C@H](Oc1cccc(c1)[*:1])C(=O)N1CCC2(CC1)OCCO2
CCN(CCc1nccs1)Cc1cnc(-c2ccc(C)o2)s1 c1csc(C[*:1])n1 CCN(Cc1cnc(s1)-c1ccc(C)o1)C[*:1]
CCN(CCc1nccs1)Cc1cnc(-c2ccc(C)o2)s1 c1csc(n1)[*:1] CCN(CC[*:1])Cc1cnc(s1)-c1ccc(C)o1
CCN(CCc1nccs1)Cc1cnc(-c2ccc(C)o2)s1 Cc1ccc(o1)[*:1] CCN(CCc1nccs1)Cc1cnc(s1)[*:1]
CCN(CCc1nccs1)Cc1cnc(-c2ccc(C)o2)s1 c1csc(CC[*:1])n1 CCN(Cc1cnc(s1)-c1ccc(C)o1)[*:1]
CCOC(=O)CC[C@H](C)NC(=O)c1sc(C)nc1C CCOC(=O)[*:1] Cc1nc(C)c(s1)C(=O)N[C@@H](C)CC[*:1]
CCOC(=O)CC[C@H](C)NC(=O)c1sc(C)nc1C CCOC(=O)C[*:1] Cc1nc(C)c(s1)C(=O)N[C@@H](C)C[*:1]
Cc1noc(C)c1CN(C)C(=O)c1cc2c(C(C)C)nn(C)c2s1 Cc1noc(C)c1C[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N(C)[*:1]
Cc1noc(C)c1CN(C)C(=O)c1cc2c(C(C)C)nn(C)c2s1 Cc1noc(C)c1[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)N(C)C[*:1]
Cc1noc(C)c1CN(C)C(=O)c1cc2c(C(C)C)nn(C)c2s1 CC(C)[*:1] Cc1noc(C)c1CN(C)C(=O)c1cc2c(nn(C)c2s1)[*:1]
CCCc1ccccc1OC1C[NH2+]C1 CCC[*:1] c1ccc(c(c1)OC1C[NH2+]C1)[*:1]
Cc1cc([C@H](C)NC(=O)/C=C/SCc2ccco2)c(C)o1 c1coc(c1)[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)/C=C/SC[*:1]
Cc1cc([C@H](C)NC(=O)/C=C/SCc2ccco2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](NC(=O)/C=C/SCc1ccco1)[*:1]
Cc1cc([C@H](C)NC(=O)/C=C/SCc2ccco2)c(C)o1 c1coc(c1)C[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)/C=C/S[*:1]
Cc1cc([C@H](C)NC(=O)/C=C/SCc2ccco2)c(C)o1 c1coc(c1)CS[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)C=C[*:1]
CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 CCS(=O)(=O)NC[*:1] O=C(NC[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 CCS(=O)(=O)N[*:1] O=C(NCC[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
Cc1ccc(CN(CCc2ccccc2)C(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@H]4C3=O)c2)s1 Cc1ccc(s1)[*:1] O=C1NN(C(=O)[C@@H]2CC=CC[C@H]12)c1cccc(c1)C(=O)N(CCc1ccccc1)C[*:1]
Cc1ccc(CN(CCc2ccccc2)C(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@H]4C3=O)c2)s1 c1ccc(cc1)[*:1] Cc1ccc(CN(CC[*:1])C(=O)c2cccc(c2)N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)s1
Cc1ccc(CN(CCc2ccccc2)C(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@H]4C3=O)c2)s1 Cc1ccc(C[*:1])s1 O=C1NN(C(=O)[C@@H]2CC=CC[C@H]12)c1cccc(c1)C(=O)N(CCc1ccccc1)[*:1]
Cc1ccc(CN(CCc2ccccc2)C(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@H]4C3=O)c2)s1 c1ccc(cc1)C[*:1] Cc1ccc(CN(C[*:1])C(=O)c2cccc(c2)N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)s1
Cc1ccc(CN(CCc2ccccc2)C(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@H]4C3=O)c2)s1 c1ccc(cc1)CC[*:1] Cc1ccc(CN(C(=O)c2cccc(c2)N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)[*:1])s1
C[C@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@](O)(CNC(=O)[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1)[*:1]
C[C@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccc2OCOc2c1
C[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] C[C@H]1CCCC[C@H]1NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
C[NH2+][C@H](c1cnn(C)c1)[C@@]1(N(C)C)CCC[C@@H](C)C1 CN(C)[*:1] C[NH2+][C@H](c1cnn(C)c1)[C@]1(CCC[C@@H](C)C1)[*:1]
C[NH2+][C@H](c1cnn(C)c1)[C@@]1(N(C)C)CCC[C@@H](C)C1 Cn1cc(cn1)[*:1] C[NH2+][C@H]([C@]1(CCC[C@@H](C)C1)N(C)C)[*:1]
C/C=C/C(=O)NCC#CCOc1ccccc1Cl C/C=C/C(=O)N[*:1] Clc1ccccc1OCC#CC[*:1]
C/C=C/C(=O)NCC#CCOc1ccccc1Cl CC=C[*:1] O=C(NCC#CCOc1ccccc1Cl)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N(C)C3CCCCC3)cc2C[C@@H]1C C1CCC(CC1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)NCCC(=O)N(C)[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)CN1CCN(c2cccc(C)c2C)CC1 CCOC(=O)[*:1] Cc1cccc(c1C)N1CCN(CC1)CC(=O)NC1=c2cc(F)ccc2=[NH+][C@@H]1[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)CN1CCN(c2cccc(C)c2C)CC1 Cc1cccc(c1C)[*:1] CCOC(=O)[C@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)CN1CCN(CC1)[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)cc1 CC(C)[*:1] C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(cc2)[*:1])[C@@H]1C
CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)cc1 CC(C)c1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CC2)S(=O)(=O)[*:1])[C@@H]1C
CC#CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 CC#C[*:1] O=S(=O)(c1ccc(cc1)OC[*:1])N1CCOCC1
CC#CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 CC#CCO[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCOCC1
CC#CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 CC#CC[*:1] O=S(=O)(c1ccc(cc1)O[*:1])N1CCOCC1
CC(C)Cc1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCOCC2)o1 CC(C)[*:1] O=S(=O)(c1ccc(F)cc1)c1nc(C[*:1])oc1N1CCOCC1
CC(C)Cc1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCOCC2)o1 CC(C)C[*:1] O=S(=O)(c1ccc(F)cc1)c1nc(oc1N1CCOCC1)[*:1]
CC(C)Cc1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCOCC2)o1 Fc1ccc(cc1)[*:1] CC(C)Cc1nc(c(o1)N1CCOCC1)S(=O)(=O)[*:1]
CC(C)Cc1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCOCC2)o1 C1CN(CCO1)[*:1] CC(C)Cc1nc(c(o1)[*:1])S(=O)(=O)c1ccc(F)cc1
CCc1ccc2c(Cl)c(C(=O)N[C@@H](C)[C@@H]3CCCO3)sc2c1 C1CO[C@@H](C1)[*:1] CCc1ccc2c(Cl)c(sc2c1)C(=O)N[C@@H](C)[*:1]
C[C@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](C(=O)N(C)[*:1])[S@@](=O)Cc1ncn(n1)-c1ccccc1
C[C@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1ncn(n1)[*:1]
O=C(Nc1ccc(F)c(C(F)(F)F)c1)NC1CC[NH+](Cc2ccccc2)CC1 FC(F)(F)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])NC1CC[NH+](CC1)Cc1ccccc1
O=C(Nc1ccc(F)c(C(F)(F)F)c1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(F)c(c1)C(F)(F)F)NC1CC[NH+](CC1)[*:1]
O=C(Nc1ccc(F)c(C(F)(F)F)c1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(c1)C(F)(F)F)NC1CC[NH+](CC1)C[*:1]
Cn1cnc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3F)CC2)c1 Fc1ccccc1[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)NC(=O)[*:1]
Cn1cnc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3F)CC2)c1 Cn1cnc(c1)[*:1] O=C(NC1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1F
CC[C@@H]([NH2+]CCNc1cc(Cl)cc(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]([NH2+]CCNc1cc(Cl)cc(Cl)c1)[*:1]
C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1[*:1])C(=O)N[C@H]1CCCc2ccccc21
C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 c1ccc2c(c1)CCC[C@@H]2[*:1] C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N[*:1]
C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 C1CC1[*:1] C[C@@H](Sc1nnc(n1-c1ccccc1)[*:1])C(=O)N[C@H]1CCCc2ccccc21
O=C(CC[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(Cc1ccccc1Cl)N1CC[NH+](CC1)CC[*:1]
O=C(CC[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1)NC1CC1 C1CC1[*:1] O=C(CC[NH+]1CCN(CC1)C(=O)Cc1ccccc1Cl)N[*:1]
O=C(CC[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1)NC1CC1 Clc1ccccc1[*:1] O=C(CC[NH+]1CCN(CC1)C(=O)C[*:1])NC1CC1
O=C(CC[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1)NC1CC1 O=C(CC[*:1])NC1CC1 O=C(Cc1ccccc1Cl)N1CC[NH+](CC1)[*:1]
O=C(CC[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1)NC1CC1 Clc1ccccc1C[*:1] O=C(CC[NH+]1CCN(CC1)C(=O)[*:1])NC1CC1
O=C(CC[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Cc1ccccc1Cl)N1CC[NH+](CC1)C[*:1]
CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1)c1ccc2c(c1)OCCO2 O=S(=O)(N1CCCC1)[*:1] CC(C)[C@@H](NC(=O)c1cc(c[nH]1)[*:1])c1ccc2OCCOc2c1
CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1)c1ccc2c(c1)OCCO2 CC(C)[*:1] O=C(N[C@@H](c1ccc2OCCOc2c1)[*:1])c1cc(c[nH]1)S(=O)(=O)N1CCCC1
CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] CC(C)[C@@H](NC(=O)c1cc(c[nH]1)S(=O)(=O)N1CCCC1)[*:1]
O=C(NCCc1ccccn1)N[C@H]1C[C@@H]2CCCc3cccc1c32 c1ccc(nc1)[*:1] O=C(NCC[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
O=C(NCCc1ccccn1)N[C@H]1C[C@@H]2CCCc3cccc1c32 c1ccc(CC[*:1])nc1 O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N[*:1]
O=C(NCCc1ccccn1)N[C@H]1C[C@@H]2CCCc3cccc1c32 c1ccc(C[*:1])nc1 O=C(NC[*:1])N[C@H]1C[C@@H]2CCCc3cccc1c32
O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C(=O)N=C(SCc3ccc(Cl)cc3)N=C2N1 Fc1ccc(F)c(c1)[*:1] O=C1C[C@H](C(=O)N[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1ccc(Cl)cc1
O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C(=O)N=C(SCc3ccc(Cl)cc3)N=C2N1 Clc1ccc(cc1)C[*:1] O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C(=O)N=C(N=C2N1)S[*:1]
O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C(=O)N=C(SCc3ccc(Cl)cc3)N=C2N1 Clc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C(=O)N=C(N=C2N1)SC[*:1]
CCCOc1ccc(NC(=O)c2oc3ccc(F)cc3c2C)c2cccnc12 CCCO[*:1] Cc1c(oc2ccc(F)cc12)C(=O)Nc1ccc(c2ncccc12)[*:1]
CCCOc1ccc(NC(=O)c2oc3ccc(F)cc3c2C)c2cccnc12 CCC[*:1] Cc1c(oc2ccc(F)cc12)C(=O)Nc1ccc(O[*:1])c2ncccc12
CC(=O)NCCCSc1nnc(Cc2ccccc2F)o1 CC(=O)NC[*:1] Fc1ccccc1Cc1nnc(o1)SCC[*:1]
CC(=O)NCCCSc1nnc(Cc2ccccc2F)o1 CC(=O)NCCC[*:1] Fc1ccccc1Cc1nnc(o1)S[*:1]
CC(=O)NCCCSc1nnc(Cc2ccccc2F)o1 CC(=O)NCC[*:1] Fc1ccccc1Cc1nnc(o1)SC[*:1]
CC(=O)NCCCSc1nnc(Cc2ccccc2F)o1 CC(=O)N[*:1] Fc1ccccc1Cc1nnc(o1)SCCC[*:1]
CC(=O)NCCCSc1nnc(Cc2ccccc2F)o1 Fc1ccccc1[*:1] CC(=O)NCCCSc1nnc(C[*:1])o1
COc1cccc(N2C[C@@H](C(=O)N(C)Cc3ccsc3)CC2=O)c1 c1cc(cs1)[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)N(C)C[*:1]
COc1cccc(N2C[C@@H](C(=O)N(C)Cc3ccsc3)CC2=O)c1 COc1cccc(c1)[*:1] CN(Cc1ccsc1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1cccc(N2C[C@@H](C(=O)N(C)Cc3ccsc3)CC2=O)c1 c1cc(cs1)C[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)N(C)[*:1]
O=c1nc([C@H]2CSCCS2)[nH]c([O-])c1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=c1nc([nH]c([O-])c1[*:1])[C@H]1CSCCS1
CCOc1ccccc1CNc1cccc(OC(C)C)c1 CC(C)[*:1] CCOc1ccccc1CNc1cccc(c1)O[*:1]
CCOc1ccccc1CNc1cccc(OC(C)C)c1 CC(C)O[*:1] CCOc1ccccc1CNc1cccc(c1)[*:1]
CCOc1ccccc1CNc1cccc(OC(C)C)c1 CCO[*:1] CC(C)Oc1cccc(c1)NCc1ccccc1[*:1]
Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 FC(F)(F)[*:1] Cc1oncc1C(=O)Nc1cccc(c1)[N-]S(=O)(=O)c1cc(ccc1Cl)[*:1]
Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 Cc1oncc1C(=O)N[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1cc(ccc1Cl)C(F)(F)F
Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 Cc1oncc1[*:1] O=C(Nc1cccc(c1)[N-]S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F)[*:1]
O=C(Nc1cccnc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(Nc1cccnc1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1cccnc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1cccnc1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1cccnc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 c1cncc(c1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)CC(F)(F)F
CCC(C)(C)[NH+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] CCC(C)(C)[*:1] COc1cc(C[NH+](C)[*:1])c(cc1OC)[N+](=O)[O-]
CCC(C)(C)[NH+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCC(C)(C)[NH+](C)Cc1cc(OC)c(cc1[*:1])OC
CCc1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)cc1 Cn1cnnc1S[*:1] CCc1ccc(cc1)S(=O)(=O)Nc1ccccc1[*:1]
CCc1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)cc1 Cn1cnnc1[*:1] CCc1ccc(cc1)S(=O)(=O)Nc1ccccc1S[*:1]
CCc1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)cc1 CCc1ccc(cc1)[*:1] Cn1cnnc1Sc1ccccc1NS(=O)(=O)[*:1]
Cc1c(Cl)cc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)cc1Cl CC(C)O[*:1] Cc1c(Cl)cc(cc1Cl)C(=O)N1C[C@H](O)[C@@H](C1)[*:1]
Cc1c(Cl)cc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)cc1Cl CC(C)[*:1] Cc1c(Cl)cc(cc1Cl)C(=O)N1C[C@H](O)[C@H](C1)O[*:1]
Cc1ccccc1CC(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C CC(C)[*:1] Cc1ccccc1CC(=O)N[C@@H](C(=O)N1CCOCC1)[*:1]
Cc1ccccc1CC(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)N1CCOCC1
CCCCn1c(=S)[nH]c([O-])c([C@@H]2NCCC3=c4cc(Cl)ccc4=[NH+][C@@H]32)c1=O CCCC[*:1] O=c1c(c([O-])[nH]c(=S)n1[*:1])[C@@H]1NCCC2=c3cc(Cl)ccc3=[NH+][C@@H]21
CCCCn1c(=S)[nH]c([O-])c([C@@H]2NCCC3=c4cc(Cl)ccc4=[NH+][C@@H]32)c1=O CCC[*:1] O=c1c(c([O-])[nH]c(=S)n1C[*:1])[C@@H]1NCCC2=c3cc(Cl)ccc3=[NH+][C@@H]21
Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)[*:1] Cc1nc2ccn(C[*:1])c(=O)c2cc1C(=O)N1CCN(CC1)c1cccc[nH+]1
Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)C[*:1] Cc1nc2ccn(c(=O)c2cc1C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
Cc1cccc(OCCCC(=O)Nc2c(F)cc(F)cc2F)c1 Cc1cccc(c1)[*:1] O=C(CCCO[*:1])Nc1c(F)cc(F)cc1F
Cc1ccc(C(=O)NNC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1nnn(-c2ccccc2Cl)c1=O)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)C(=O)NNC(=O)Cn1nnn(c1=O)[*:1]
O=C(Cn1cnnn1)Nc1cc([N+](=O)[O-])ccc1F c1nnnn1[*:1] O=C(C[*:1])Nc1cc(ccc1F)[N+](=O)[O-]
O=C(Cn1cnnn1)Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] O=C(Cn1cnnn1)Nc1cc(ccc1F)[*:1]
O=C(Cn1cnnn1)Nc1cc([N+](=O)[O-])ccc1F c1nnnn1C[*:1] O=C(Nc1cc(ccc1F)[N+](=O)[O-])[*:1]
C[C@H]1CCC[C@H](n2c(-c3cccs3)n[nH]c2=S)C1 c1csc(c1)[*:1] C[C@H]1CCC[C@@H](C1)n1c(n[nH]c1=S)[*:1]
CCC[C@@H]1CN(Cc2nc(C)c(C)s2)[C@H](C(C)(C)C)C[NH2+]1 Cc1nc(sc1C)[*:1] CCC[C@@H]1CN(C[*:1])[C@@H](C[NH2+]1)C(C)(C)C
CCC[C@@H]1CN(Cc2nc(C)c(C)s2)[C@H](C(C)(C)C)C[NH2+]1 CCC[*:1] Cc1nc(CN2C[C@H]([NH2+]C[C@H]2C(C)(C)C)[*:1])sc1C
CCC[C@@H]1CN(Cc2nc(C)c(C)s2)[C@H](C(C)(C)C)C[NH2+]1 CC(C)(C)[*:1] CCC[C@@H]1CN(Cc2nc(C)c(C)s2)[C@H](C[NH2+]1)[*:1]
C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCCC[C@@H]2OC)c1 C#Cc1cccc(c1)[*:1] CO[C@H]1CCCC[C@H]1NC(=O)NCC(=O)N[*:1]
Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)c1 Fc1cccc(c1)C[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@@H]1c1cccc(n1)[*:1]
Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)c1 Fc1cccc(c1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@@H]1c1cccc(C[*:1])n1
Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)c1 Cn1cnc(c1)[*:1] O=S(=O)(N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1)[*:1]
CC1(C)CCCC[C@H]1Nc1ccc(C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] CC1(C)CCCC[C@H]1Nc1ccc(cc1)[*:1]
CC1(C)CCCC[C@H]1Nc1ccc(C(=O)NC2CC2)cc1 C1CC1[*:1] CC1(C)CCCC[C@H]1Nc1ccc(cc1)C(=O)N[*:1]
CCN(CC)C(=O)CSc1nc2ccc(C)cc2cc1C CCN(CC)C(=O)[*:1] Cc1ccc2nc(SC[*:1])c(C)cc2c1
C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 C1CC1[*:1] C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H]1CCCN(C[*:1])C1=O)C1CC1
CC(C)[C@H](O)c1ccn(CC#N)c1 CC(C)[*:1] N#CCn1ccc(c1)[C@@H](O)[*:1]
CC(C)[C@H](O)c1ccn(CC#N)c1 N#CC[*:1] CC(C)[C@H](O)c1ccn(c1)[*:1]
Fc1ccc(-c2nnc(C3CCN(Cc4[nH]cc[nH+]4)CC3)o2)cc1 Fc1ccc(cc1)[*:1] c1c[nH+]c(CN2CCC(CC2)c2nnc(o2)[*:1])[nH]1
Cc1ncc2c(c1-c1noc(-c3ccsc3)n1)CCN(Cc1ccccn1)C2 c1cc(cs1)[*:1] Cc1ncc2CN(CCc2c1-c1noc(n1)[*:1])Cc1ccccn1
Cc1ncc2c(c1-c1noc(-c3ccsc3)n1)CCN(Cc1ccccn1)C2 c1ccc(C[*:1])nc1 Cc1ncc2CN(CCc2c1-c1noc(n1)-c1ccsc1)[*:1]
Cc1ncc2c(c1-c1noc(-c3ccsc3)n1)CCN(Cc1ccccn1)C2 c1ccc(nc1)[*:1] Cc1ncc2CN(CCc2c1-c1noc(n1)-c1ccsc1)C[*:1]
CCc1cc(NC(=O)N[C@H]2CCCC[C@@H]2[S@@](=O)CC)n(C)n1 CC[S@](=O)[*:1] CCc1cc(NC(=O)N[C@H]2CCCC[C@H]2[*:1])n(C)n1
CC(C)c1cc(C(=O)NNC(=O)NCCc2cccs2)c2ccccc2n1 c1csc(c1)[*:1] CC(C)c1cc(C(=O)NNC(=O)NCC[*:1])c2ccccc2n1
CC(C)c1cc(C(=O)NNC(=O)NCCc2cccs2)c2ccccc2n1 c1csc(c1)C[*:1] CC(C)c1cc(C(=O)NNC(=O)NC[*:1])c2ccccc2n1
CC(C)c1cc(C(=O)NNC(=O)NCCc2cccs2)c2ccccc2n1 c1csc(c1)CC[*:1] CC(C)c1cc(C(=O)NNC(=O)N[*:1])c2ccccc2n1
CC(C)c1cc(C(=O)NNC(=O)NCCc2cccs2)c2ccccc2n1 CC(C)[*:1] O=C(NCCc1cccs1)NNC(=O)c1cc(nc2ccccc12)[*:1]
C[C@@](O)(CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccco1 C1CC1[*:1] C[C@@](O)(CN[C@@H](c1cccc(c1)C(F)(F)F)[*:1])c1ccco1
C[C@@](O)(CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccco1 FC(F)(F)[*:1] C[C@@](O)(CN[C@@H](c1cccc(c1)[*:1])C1CC1)c1ccco1
C[C@@](O)(CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1ccco1 c1coc(c1)[*:1] C[C@@](O)(CN[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
C#CCN(CC#C)C(=O)CCCNC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C#CCN(CC#C)C(=O)CCCNC(=O)N[*:1]
C#CCN(CC#C)C(=O)CCCNC(=O)NC1CCCCC1 C#CC[*:1] C#CCN(C(=O)CCCNC(=O)NC1CCCCC1)[*:1]
C[C@H](CC[NH2+]Cc1cc(C(=O)[O-])cs1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC[NH2+]Cc1cc(cs1)C(=O)[O-])[*:1]
C[C@H](CC[NH2+]Cc1cc(C(=O)[O-])cs1)c1ccccc1 O=C([O-])[*:1] C[C@H](CC[NH2+]Cc1cc(cs1)[*:1])c1ccccc1
O=C(NCCC[NH+]1CCCCCC1)Nc1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] O=C(NCCC[NH+]1CCCCCC1)Nc1ccc(cc1)[*:1]
O=C(NCCC[NH+]1CCCCCC1)Nc1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] O=C(NCCC[NH+]1CCCCCC1)Nc1ccc(cc1)C[*:1]
O=C(NC1CCCCC1)NC1CC[NH+](Cc2ccc(Cl)o2)CC1 Clc1ccc(C[*:1])o1 O=C(NC1CCCCC1)NC1CC[NH+](CC1)[*:1]
O=C(NC1CCCCC1)NC1CC[NH+](Cc2ccc(Cl)o2)CC1 C1CCC(CC1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(Cl)o1)N[*:1]
O=C(NC1CCCCC1)NC1CC[NH+](Cc2ccc(Cl)o2)CC1 Clc1ccc(o1)[*:1] O=C(NC1CCCCC1)NC1CC[NH+](CC1)C[*:1]
CC[NH+]1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)Cc1nc(no1)-c1ccc(cc1)OC[*:1]
CC[NH+]1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 c1ccc(cc1)CO[*:1] CC[NH+]1CCN(CC1)Cc1nc(no1)-c1ccc(cc1)[*:1]
CC[NH+]1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 c1ccc(cc1)C[*:1] CC[NH+]1CCN(CC1)Cc1nc(no1)-c1ccc(cc1)O[*:1]
Cc1cc(C[NH+]2CCC(n3cccn3)CC2)ccc1Oc1cccnc1 c1cncc(c1)[*:1] Cc1cc(ccc1O[*:1])C[NH+]1CCC(CC1)n1cccn1
Cc1cc(C[NH+]2CCC(n3cccn3)CC2)ccc1Oc1cccnc1 c1cnn(c1)[*:1] Cc1cc(ccc1Oc1cccnc1)C[NH+]1CCC(CC1)[*:1]
Cc1cc(C[NH+]2CCC(n3cccn3)CC2)ccc1Oc1cccnc1 c1cncc(c1)O[*:1] Cc1cc(ccc1[*:1])C[NH+]1CCC(CC1)n1cccn1
CS(=O)(=O)Cc1nc(CN2CCC[C@@H]2Cc2ccccc2)cs1 CS(=O)(=O)[*:1] c1ccc(cc1)C[C@H]1CCCN1Cc1csc(C[*:1])n1
CS(=O)(=O)Cc1nc(CN2CCC[C@@H]2Cc2ccccc2)cs1 CS(=O)(=O)C[*:1] c1ccc(cc1)C[C@H]1CCCN1Cc1csc(n1)[*:1]
CS(=O)(=O)Cc1nc(CN2CCC[C@@H]2Cc2ccccc2)cs1 c1ccc(cc1)C[*:1] CS(=O)(=O)Cc1nc(cs1)CN1CCC[C@H]1[*:1]
CS(=O)(=O)Cc1nc(CN2CCC[C@@H]2Cc2ccccc2)cs1 c1ccc(cc1)[*:1] CS(=O)(=O)Cc1nc(cs1)CN1CCC[C@@H]1C[*:1]
Cc1cc(CCCC(=O)Oc2cc(C(N)=O)ccc2C)c(C)s1 NC(=O)[*:1] Cc1cc(CCCC(=O)Oc2cc(ccc2C)[*:1])c(C)s1
Cc1cc(CCCC(=O)Oc2cc(C(N)=O)ccc2C)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1ccc(cc1OC(=O)CCC[*:1])C(N)=O
CCC[C@@H](O)c1ccn(CCN2CCOCC2)c1 C1CN(CCO1)[*:1] CCC[C@@H](O)c1ccn(c1)CC[*:1]
CCC[C@@H](O)c1ccn(CCN2CCOCC2)c1 CCC[*:1] O[C@@H](c1ccn(c1)CCN1CCOCC1)[*:1]
CCC[C@@H](O)c1ccn(CCN2CCOCC2)c1 CCC[C@@H](O)[*:1] c1cn(cc1[*:1])CCN1CCOCC1
COc1ccccc1[C@@H](C)NC(=O)CO/N=C(/N)c1cnn(C)c1 COc1ccccc1[*:1] C[C@@H](NC(=O)CO/N=C(/N)c1cnn(C)c1)[*:1]
COc1ccccc1[C@@H](C)NC(=O)CO/N=C(/N)c1cnn(C)c1 Cn1cc(cn1)[*:1] COc1ccccc1[C@@H](C)NC(=O)CO/N=C(/N)[*:1]
O=C(CN1CCOCC1)N1CCC[C@@H](c2nnc(-c3nccc4ccccc34)o2)C1 C1CN(CCO1)[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1nnc(o1)-c1nccc2ccccc12
O=C(CN1CCOCC1)N1CCC[C@@H](c2nnc(-c3nccc4ccccc34)o2)C1 c1ccc2c(nccc2c1)[*:1] O=C(CN1CCOCC1)N1CCC[C@H](C1)c1nnc(o1)[*:1]
O=C(CN1CCOCC1)N1CCC[C@@H](c2nnc(-c3nccc4ccccc34)o2)C1 C1CN(CCO1)C[*:1] O=C(N1CCC[C@H](C1)c1nnc(o1)-c1nccc2ccccc12)[*:1]
CCc1nc(CN/C(NCC(C)C)=[NH+]\C)cs1 CC(C)[*:1] CCc1nc(cs1)CN/C(NC[*:1])=[NH+]\C
CCc1nc(CN/C(NCC(C)C)=[NH+]\C)cs1 CC(C)C[*:1] CCc1nc(cs1)CN/C(N[*:1])=[NH+]\C
C[C@](Nc1ccc(S(N)(=O)=O)cc1)(C(=O)[O-])C(F)(F)F NS(=O)(=O)[*:1] C[C@](Nc1ccc(cc1)[*:1])(C(=O)[O-])C(F)(F)F
C[C@](Nc1ccc(S(N)(=O)=O)cc1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](Nc1ccc(cc1)S(N)(=O)=O)(C(=O)[O-])[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCSC1 C1C[C@@H](CS1)[*:1] CC(C)C[C@H](C[NH3+])C(=O)N(C)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCSC1 CC(C)[*:1] CN(C(=O)[C@@H](C[NH3+])C[*:1])[C@H]1CCSC1
CC(C)C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCSC1 CC(C)C[*:1] CN(C(=O)[C@@H](C[NH3+])[*:1])[C@H]1CCSC1
C[C@H]([NH2+]CCCC(=O)NC1CC1)c1cc(Cl)ccc1Cl O=C(NC1CC1)[*:1] C[C@H]([NH2+]CCC[*:1])c1cc(Cl)ccc1Cl
C[C@H]([NH2+]CCCC(=O)NC1CC1)c1cc(Cl)ccc1Cl C1CC1[*:1] C[C@H]([NH2+]CCCC(=O)N[*:1])c1cc(Cl)ccc1Cl
COc1ccc(CNC(=O)[C@H](OC(C)=O)c2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)CNC(=O)[C@H](OC(C)=O)[*:1]
COc1ccc(CNC(=O)[C@H](OC(C)=O)c2ccccn2)cc1 CC(=O)O[*:1] COc1ccc(cc1)CNC(=O)[C@H](c1ccccn1)[*:1]
CCS(=O)(=O)c1ccc(S(=O)(=O)/N=c2\[nH]cccc2C)cc1 CCS(=O)(=O)[*:1] Cc1ccc[nH]/c1=N\S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)NC(=O)COC(=O)c2nccnc2N)cc1 COc1ccc(cc1)[*:1] Nc1nccnc1C(=O)OCC(=O)NC(=O)N[*:1]
COc1ccc(NC(=O)NC(=O)COC(=O)c2nccnc2N)cc1 Nc1nccnc1[*:1] COc1ccc(cc1)NC(=O)NC(=O)COC(=O)[*:1]
CC1([C@](C)(O)c2cccc(F)c2)CC1 CC1(CC1)[*:1] C[C@](O)(c1cccc(F)c1)[*:1]
COc1cccc(OC)c1OCC(=O)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1 c1nc(nc2CCOCc12)[*:1] COc1cccc(OC)c1OCC(=O)N[C@H]1CCCN(C1)[*:1]
COc1cccc(OC)c1OCC(=O)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1 COc1cccc(OC)c1[*:1] O=C(CO[*:1])N[C@H]1CCCN(C1)c1ncc2COCCc2n1
C/C(=C\c1ccc(F)cc1)C(=O)OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C/C(=C\c1ccc(F)cc1)C(=O)OC[*:1]
C/C(=C\c1ccc(F)cc1)C(=O)OC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C/C(=C\c1ccc(F)cc1)C(=O)O[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(NC(=O)C2CC2)CC1 O=C(N[*:1])C1CC1 C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CC1)[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(NC(=O)C2CC2)CC1 C1CC1[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CC1)NC(=O)[*:1]
C[C@H](OC(=O)CCc1nc(-c2cccnc2)no1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](OC(=O)CCc1nc(no1)-c1cccnc1)[*:1]
C[C@H](OC(=O)CCc1nc(-c2cccnc2)no1)c1cccnc1 C[C@H](c1cccnc1)[*:1] O=C(CCc1nc(no1)-c1cccnc1)O[*:1]
C[C@H](OC(=O)CCc1nc(-c2cccnc2)no1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](OC(=O)CCc1nc(no1)[*:1])c1cccnc1
O=C(c1ccc(F)cc1)N1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 Brc1ccc(cc1)O[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)C[C@H](O)C[*:1]
O=C(c1ccc(F)cc1)N1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)C[C@H](O)CO[*:1]
O=C(c1ccc(F)cc1)N1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 Brc1ccc(cc1)OC[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)C[C@H](O)[*:1]
O=C(c1ccc(F)cc1)N1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N1CCN(CC1)C[C@H](O)COc1ccc(Br)cc1)[*:1]
Cc1nnc(NC(=O)C2(c3ccccc3)CC2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])C1(CC1)c1ccccc1
Cc1nnc(NC(=O)C2(c3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Cc1nnc(NC(=O)C2(CC2)[*:1])s1
COC(=O)C[C@H](C)Sc1ncnc2cc(F)c(F)cc12 COC(=O)C[*:1] C[C@H](Sc1ncnc2cc(F)c(F)cc12)[*:1]
COC(=O)C[C@H](C)Sc1ncnc2cc(F)c(F)cc12 COC(=O)[*:1] C[C@@H](C[*:1])Sc1ncnc2cc(F)c(F)cc12
CCc1nc2ccccc2n1C1CCN(C(=O)c2ccnc(F)c2)CC1 Fc1cc(ccn1)[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)[*:1]
Cc1cc2c(N[C@@H](C)c3noc(-c4ccccc4)n3)ncnc2s1 c1ccc(cc1)[*:1] Cc1cc2c(ncnc2s1)N[C@@H](C)c1noc(n1)[*:1]
COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccc(C)cc4)nn3)CC2)cc1 Cc1ccc(cc1)N[*:1] COc1ccc(cc1)CC(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccc(C)cc4)nn3)CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)Nc1ccc(nn1)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccc(C)cc4)nn3)CC2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N1CCN(CC1)c1ccc(nn1)N[*:1]
COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccc(C)cc4)nn3)CC2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1)Nc1ccc(nn1)N1CCN(CC1)C(=O)[*:1]
C[C@H](CC(=O)Oc1cccc(C(=O)N(C)C)c1)NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 C[C@H](CC(=O)Oc1cccc(c1)C(=O)N(C)C)[*:1]
C[C@H](CC(=O)Oc1cccc(C(=O)N(C)C)c1)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H](CC(=O)Oc1cccc(c1)C(=O)N(C)C)NC(=O)[*:1]
C[C@H](CC(=O)Oc1cccc(C(=O)N(C)C)c1)NC(=O)C1CCCC1 CN(C)C(=O)[*:1] C[C@H](CC(=O)Oc1cccc(c1)[*:1])NC(=O)C1CCCC1
O=C(CCOC1CCOCC1)Nc1ncc(Cl)s1 C1CC(CCO1)[*:1] O=C(CCO[*:1])Nc1ncc(Cl)s1
O=C(CCOC1CCOCC1)Nc1ncc(Cl)s1 Clc1cnc(s1)[*:1] O=C(CCOC1CCOCC1)N[*:1]
O=C(NCCC1CCCCC1)c1cn2cccnc2n1 C1CCC(CC1)[*:1] O=C(NCC[*:1])c1cn2cccnc2n1
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1C CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cccc(c1C)[N+](=O)[O-]
CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1C O=[N+]([O-])[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1C)NC(=O)c1cccc(c1C)[*:1]
Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 Cc1ccc(C)n1[*:1] O=C(NCCC[NH+]1CCCC1)c1ccc(cc1)-c1ncccc1[*:1]
CCN(Cc1c(F)cccc1F)C(=O)c1cnc2ccccn2c1=O Fc1cccc(F)c1[*:1] CCN(C[*:1])C(=O)c1cnc2ccccn2c1=O
Cc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)c(C(=O)N3CCSCC3)cnc2n1 c1ccc(cc1)C[*:1] Cc1ccc2c(Nc3ccc(cc3)O[*:1])c(cnc2n1)C(=O)N1CCSCC1
Cc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)c(C(=O)N3CCSCC3)cnc2n1 O=C(N1CCSCC1)[*:1] Cc1ccc2c(Nc3ccc(cc3)OCc3ccccc3)c(cnc2n1)[*:1]
Cc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)c(C(=O)N3CCSCC3)cnc2n1 c1ccc(cc1)[*:1] Cc1ccc2c(Nc3ccc(cc3)OC[*:1])c(cnc2n1)C(=O)N1CCSCC1
Cc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)c(C(=O)N3CCSCC3)cnc2n1 c1ccc(cc1)CO[*:1] Cc1ccc2c(Nc3ccc(cc3)[*:1])c(cnc2n1)C(=O)N1CCSCC1
O=C(Nc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NC(=O)N1CCN(CC1)[*:1])N1CCN(CC1)c1ccccc1
Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cccs2)c1C c1csc(c1)[*:1] Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[*:1])c1C
Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cccs2)c1C Cc1cccc(c1C)[*:1] O=C(CN(C[C@H]1CCCO1)C(=O)c1cccs1)N[*:1]
C/C=C/CCNC(=O)C/C=C/c1ccc(C)cc1 C/C=C/CC[*:1] Cc1ccc(/C=C/CC(=O)N[*:1])cc1
C/C=C/CCNC(=O)C/C=C/c1ccc(C)cc1 C/C=C/C[*:1] Cc1ccc(/C=C/CC(=O)NC[*:1])cc1
C/C=C/CCNC(=O)C/C=C/c1ccc(C)cc1 CC=C[*:1] Cc1ccc(/C=C/CC(=O)NCC[*:1])cc1
Cc1ccc2c(c1)CCN2C(=O)NCc1cccc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] Cc1ccc2c(c1)CCN2C(=O)NCc1cccc(c1)[*:1]
CC(C)[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F CC(C)[*:1] OC[C@@H]([NH2+][C@@H]1CCCC[C@H]1C(F)(F)F)[*:1]
CC(C)[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F FC(F)(F)[*:1] CC(C)[C@@H](CO)[NH2+][C@@H]1CCCC[C@@H]1[*:1]
O=C(NC[C@@H](CCO)c1ccccc1)C(=O)Nc1cccc2cccnc12 c1ccc(cc1)[*:1] O=C(NC[C@@H](CCO)[*:1])C(=O)Nc1cccc2cccnc12
O=C(NC[C@@H](CCO)c1ccccc1)C(=O)Nc1cccc2cccnc12 OCC[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])C(=O)Nc1cccc2cccnc12
Cc1cc([C@H]2CCCN2c2cc(C)c3ccccc3[nH+]2)no1 Cc1cc(no1)[*:1] Cc1cc([nH+]c2ccccc12)N1CCC[C@@H]1[*:1]
CC(=O)Nc1cccc(NC(=O)Cc2cc(F)ccc2F)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)Cc1cc(F)ccc1F
CC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccccc1F c1ccc(cc1)[*:1] CC(=O)C1=C(OC(N)=C(C#N)[C@@H]1c1ccccc1F)[*:1]
CC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccccc1F CC(=O)[*:1] N#CC1=C(N)OC(=C([C@H]1c1ccccc1F)[*:1])c1ccccc1
CC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CC(=O)C1=C(OC(N)=C(C#N)[C@H]1[*:1])c1ccccc1
NC(=O)Cc1ccccc1NC(=O)C1=NN=C(c2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)Cc1ccccc1NC(=O)C1CC(=NN=1)[*:1]
NC(=O)Cc1ccccc1NC(=O)C1=NN=C(c2ccccc2)C1 NC(=O)C[*:1] O=C(Nc1ccccc1[*:1])C1CC(=NN=1)c1ccccc1
NC(=O)Cc1ccccc1NC(=O)C1=NN=C(c2ccccc2)C1 NC(=O)[*:1] O=C(Nc1ccccc1C[*:1])C1CC(=NN=1)c1ccccc1
c1nc(C2CCCCC2)ncc1CN1CCCC[C@H]1CC[NH+]1CCCC1 C1CCC(CC1)[*:1] c1nc(ncc1CN1CCCC[C@H]1CC[NH+]1CCCC1)[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC1CCC(C)(C)CC1 Cc1n[nH]c(C)c1[*:1] C[C@@H](C[*:1])C(=O)NC1CCC(C)(C)CC1
CC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)CC1 CC1CCN(CC1)C(=O)[*:1] O=c1c2ccccc2c(cn1-c1ccc(Cl)cc1)[*:1]
CC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)CC1 Clc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1cn(c(=O)c2ccccc12)[*:1]
CCn1nc(C)c(NC(=O)N(C)Cc2ccc(Br)cc2)c1C Brc1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)N(C)C[*:1])c1C
CCN[C@H](c1ccc(CC)s1)c1ccc(F)c(F)c1F CCN[*:1] CCc1ccc(s1)[C@H](c1ccc(F)c(F)c1F)[*:1]
CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH3+])cc1 CCCO[*:1] [NH3+][C@H]1CCCC[C@@H]1Oc1ccc(cc1)[*:1]
CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH3+])cc1 CCC[*:1] [NH3+][C@H]1CCCC[C@@H]1Oc1ccc(cc1)O[*:1]
Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 Cc1n[nH]c(C)c1[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)CC[*:1]
Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1C[C@H](C)N(C1)[*:1]
Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 Cc1n[nH]c(C)c1C[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)C[*:1]
O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)NCCc1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)NCC[*:1]
Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCOc2c(C)cc(C(C)(C)C)cc21 CC(C)(C)[*:1] Cc1nc2[C@H](CCCn2n1)[NH2+][C@H]1CCCOc2c(C)cc(cc21)[*:1]
COc1ccc(CCNC(=O)Cn2cnc3nc4c(cc3c2=O)C[C@H](C)CC4)c(OC)c1 COc1ccc(c(c1)OC)[*:1] C[C@@H]1CCc2nc3ncn(CC(=O)NCC[*:1])c(=O)c3cc2C1
C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+]CCC(=O)NC1CC1 C1CC1[*:1] C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+]CCC(=O)N[*:1]
C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+]CCC(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+]CC[*:1]
Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCCC[C@@H]2C)cc1C Cc1ccc(cc1C)[*:1] C[C@H]1CCCC[C@H]1NC(=O)NNC(=O)CO[*:1]
O=C(CC[C@@H]1CCCO1)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(CC[C@@H]1CCCO1)N(c1ccccc1)[*:1]
O=C(CC[C@@H]1CCCO1)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CC[C@@H]1CCCO1)N(Cc1ccccc1)[*:1]
O=C(CC[C@@H]1CCCO1)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CC[C@@H]1CCCO1)N(C[*:1])c1ccccc1
CC1(C)CN(C(=O)c2ncccc2C(F)(F)F)CC[S@]1=O FC(F)(F)[*:1] CC1(C)CN(CC[S@]1=O)C(=O)c1ncccc1[*:1]
Cc1ccc(NCc2cscn2)c(C)[nH+]1 c1nc(cs1)[*:1] Cc1ccc(NC[*:1])c(C)[nH+]1
C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](C1)[*:1]
C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(F)cc2)C1 C=CC[*:1] C[C@H](C(=O)NC(=O)N[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
O=C(COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)cc1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=C(c1cccs1)N1N=C(C[C@@H]1c1ccc(cc1)O[*:1])c1ccccc1
O=C(COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)cc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)[C@H]1CC(=NN1C(=O)c1cccs1)[*:1])N1CCOCC1
O=C(COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)cc1)N1CCOCC1 O=C(CO[*:1])N1CCOCC1 O=C(c1cccs1)N1N=C(C[C@@H]1c1ccc(cc1)[*:1])c1ccccc1
O=C(COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)cc1)N1CCOCC1 c1csc(c1)[*:1] O=C(COc1ccc(cc1)[C@H]1CC(=NN1C(=O)[*:1])c1ccccc1)N1CCOCC1
O=C(COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)cc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(c1cccs1)N1N=C(C[C@@H]1c1ccc(cc1)OC[*:1])c1ccccc1
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O)N[*:1]
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O)Nc1ccccc1 c1cc(ccn1)C[*:1] O=C(NC[C@H]1OC[C@@H]([NH2+][*:1])[C@@H]1O)Nc1ccccc1
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O)Nc1ccccc1 c1cc(ccn1)[*:1] O=C(NC[C@H]1OC[C@@H]([NH2+]C[*:1])[C@@H]1O)Nc1ccccc1
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1nc(-c2ccco2)n[nH]1 O=C([O-])[*:1] CC1(C)[C@H](C(=O)Nc2nc(n[nH]2)-c2ccco2)[C@@H]1[*:1]
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1nc(-c2ccco2)n[nH]1 c1coc(c1)[*:1] CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1nc(n[nH]1)[*:1]
COc1ccc2c(=O)n3nc(N(C)CCO)ccc3nc2c1 CN(CCO)[*:1] COc1ccc2c(=O)n3nc(ccc3nc2c1)[*:1]
COc1ccc2c(=O)n3nc(N(C)CCO)ccc3nc2c1 OCC[*:1] COc1ccc2c(=O)n3nc(ccc3nc2c1)N(C)[*:1]
O=C(c1ccncc1)N1CCN(S(=O)(=O)CC2CCC2)CC1 c1cc(ccn1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)CC1CCC1)[*:1]
O=C(c1ccncc1)N1CCN(S(=O)(=O)CC2CCC2)CC1 C1CC(C1)C[*:1] O=C(c1ccncc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccncc1)N1CCN(S(=O)(=O)CC2CCC2)CC1 C1CC(C1)[*:1] O=C(c1ccncc1)N1CCN(CC1)S(=O)(=O)C[*:1]
COc1ccccc1-c1cnc(Cn2ccc(C(F)(F)F)n2)o1 FC(F)(F)[*:1] COc1ccccc1-c1cnc(Cn2ccc(n2)[*:1])o1
CCS[C@@H]1CC[C@@H](NC(=O)NCc2coc(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] CCS[C@@H]1CC[C@H](C1)NC(=O)NCc1coc(n1)[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)NCc2coc(-c3ccccc3)n2)C1 CCS[*:1] O=C(NCc1coc(n1)-c1ccccc1)N[C@@H]1CC[C@H](C1)[*:1]
COc1ccc(-n2ncc(C(=O)[C@H]3CCCN3C(=O)c3ccncc3)c2N)cc1 COc1ccc(cc1)[*:1] Nc1c(cnn1[*:1])C(=O)[C@H]1CCCN1C(=O)c1ccncc1
COc1ccc(-n2ncc(C(=O)[C@H]3CCCN3C(=O)c3ccncc3)c2N)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-n1ncc(C(=O)[C@H]2CCCN2C(=O)[*:1])c1N
BrCC1(C[C@H]2COc3ccccc32)CC1 BrCC1(CC1)[*:1] c1ccc2c(c1)OC[C@@H]2C[*:1]
COc1ccc(C(=O)C2CCN(C(=O)C[C@H](NC(C)=O)c3ccc(Cl)cc3)CC2)cc1 COc1ccc(cc1)C(=O)[*:1] CC(=O)N[C@@H](CC(=O)N1CCC(CC1)[*:1])c1ccc(Cl)cc1
COc1ccc(C(=O)C2CCN(C(=O)C[C@H](NC(C)=O)c3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)C[C@H](NC(C)=O)[*:1]
COc1ccc(C(=O)C2CCN(C(=O)C[C@H](NC(C)=O)c3ccc(Cl)cc3)CC2)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCC(CC1)C(=O)[*:1])c1ccc(Cl)cc1
COc1ccc(C(=O)C2CCN(C(=O)C[C@H](NC(C)=O)c3ccc(Cl)cc3)CC2)cc1 CC(=O)N[*:1] COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)C[C@H](c1ccc(Cl)cc1)[*:1]
Cc1ccc([C@@H](CNC(=O)N(C)CC2CC2)N2CCOCC2)o1 Cc1ccc(o1)[*:1] CN(CC1CC1)C(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1ccc([C@@H](CNC(=O)N(C)CC2CC2)N2CCOCC2)o1 C1CC1C[*:1] Cc1ccc(o1)[C@@H](CNC(=O)N(C)[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)N(C)CC2CC2)N2CCOCC2)o1 C1CC1[*:1] Cc1ccc(o1)[C@@H](CNC(=O)N(C)C[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)N(C)CC2CC2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)N(C)CC1CC1)[*:1]
Cc1ccc(N)cc1SCC(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] Cc1ccc(N)cc1SCC(=O)NC[*:1]
Cc1ccccc1-c1cn2c(C(=O)N[C@@H](C)c3cn(C)nc3C)csc2n1 Cc1nn(C)cc1[*:1] Cc1ccccc1-c1cn2c(csc2n1)C(=O)N[C@@H](C)[*:1]
Cc1ccccc1-c1cn2c(C(=O)N[C@@H](C)c3cn(C)nc3C)csc2n1 Cc1ccccc1[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)c1csc2nc(cn12)[*:1]
COC[C@H](C)OC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] COC[C@H](C)[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)O[*:1]
COC[C@H](C)OC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] COC[*:1] C[C@H](OC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[*:1]
Cc1cc2c(cc1C)[C@@H](N[C@@H](C)CCN1CCOCC1)CCO2 C1CN(CCO1)[*:1] Cc1cc2OCC[C@H](N[C@@H](C)CC[*:1])c2cc1C
Cc1cc2c(cc1C)[C@@H](N[C@@H](C)CCN1CCOCC1)CCO2 C1CN(CCO1)C[*:1] Cc1cc2OCC[C@H](N[C@@H](C)C[*:1])c2cc1C
Cc1cc(F)cc(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)c1 CS(=O)(=O)[*:1] Cc1cc(F)cc(c1)C(=O)Nc1cccc(C[*:1])c1C
Cc1cc(F)cc(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)c1 CS(=O)(=O)C[*:1] Cc1cc(F)cc(c1)C(=O)Nc1cccc(c1C)[*:1]
CCN(C(=O)Cn1nc2cc(-c3ccc(OC)cc3)nc(C)n2c1=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)Cn1nc2cc(nc(C)n2c1=O)-c1ccc(cc1)OC)[*:1]
CCN(C(=O)Cn1nc2cc(-c3ccc(OC)cc3)nc(C)n2c1=O)c1ccccc1 COc1ccc(cc1)[*:1] CCN(C(=O)Cn1nc2cc(nc(C)n2c1=O)[*:1])c1ccccc1
C[C@@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccc(-n2cncn2)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cc(nn1[*:1])-c1ccco1)c1ccc(cc1)-n1cncn1
C[C@@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H](NC(=O)c1cc(nn1-c1ccccc1)-c1ccco1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)c1ccc(-n2cncn2)cc1 c1coc(c1)[*:1] C[C@@H](NC(=O)c1cc(nn1-c1ccccc1)[*:1])c1ccc(cc1)-n1cncn1
CC(C)Cc1noc(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)n1 CC(C)C[*:1] C[C@@H]([NH2+]Cc1nc(no1)[*:1])c1ccc(Cl)cc1Cl
CC(C)Cc1noc(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)n1 CC(C)[*:1] C[C@@H]([NH2+]Cc1nc(C[*:1])no1)c1ccc(Cl)cc1Cl
CS(=O)(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1 Clc1ccccc1[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1cccc(N(C)C(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)c1 Cc1cccc(c1)[*:1] C[C@@H]1Oc2ccccc2N(CCC(=O)N(C)[*:1])C1=O
C[C@H](Nc1cncc(Cl)n1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](Nc1cncc(Cl)n1)c1cccc(c1)[*:1]
O=C(NCc1ccc(N2CCCC2)[nH+]c1)NCC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)NCC1(CC1)[*:1]
O=C(NCc1ccc(N2CCCC2)[nH+]c1)NCC1(c2ccccc2)CC1 C1CCN(C1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])NCC1(CC1)c1ccccc1
C[C@@H](O)C[C@@H](C)CNC(=O)c1cc2ccccc2cc1O C[C@@H](O)C[*:1] C[C@@H](CNC(=O)c1cc2ccccc2cc1O)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)c1cc2ccccc2cc1O C[C@@H](O)[*:1] C[C@@H](CNC(=O)c1cc2ccccc2cc1O)C[*:1]
CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] Fc1ccc(cc1)[*:1] CN(CCCc1cc(n[nH]1)[*:1])c1nc2ccccn2c(=O)c1[N+](=O)[O-]
CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CCCc1cc(n[nH]1)-c1ccc(F)cc1)c1nc2ccccn2c(=O)c1[*:1]
Cc1ccc(CN(C)C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)o1 Cc1ccc(C[*:1])o1 CN(C(=O)Cn1[nH]c(=O)c2ccccc2c1=O)[*:1]
Cc1ccc(CN(C)C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)Cn1[nH]c(=O)c2ccccc2c1=O
CCc1n[nH]c([C@H]2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)n1 CCc1n[nH]c(n1)[*:1] O=C(c1ccnc(n1)C1CC1)N1CCO[C@H](C1)[*:1]
CCc1n[nH]c([C@H]2CN(C(=O)c3ccnc(C4CC4)n3)CCO2)n1 C1CC1[*:1] CCc1n[nH]c(n1)[C@H]1CN(CCO1)C(=O)c1ccnc(n1)[*:1]
C=CCN1C(=O)/C(=C/c2ccc(C)o2)S/C1=N\c1ccc(O)cc1 Cc1ccc(o1)[*:1] C=CCN1C(=O)C(=C[*:1])S/C1=N\c1ccc(O)cc1
C=CCN1C(=O)/C(=C/c2ccc(C)o2)S/C1=N\c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C=CCN1C(=O)/C(=C/c2ccc(C)o2)SC1=N[*:1]
C=CCN1C(=O)/C(=C/c2ccc(C)o2)S/C1=N\c1ccc(O)cc1 C=CC[*:1] Cc1ccc(/C=C2\S/C(=N\c3ccc(O)cc3)N(C2=O)[*:1])o1
Cc1c(CCC(=O)O[C@@H](C)c2ccc(Cl)s2)cnn1C Clc1ccc(s1)[*:1] Cc1c(cnn1C)CCC(=O)O[C@@H](C)[*:1]
CC(=O)O[C@H]1CC[C@H]2[C@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CC(=O)O[*:1] C[C@]12CC[C@H]3[C@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[*:1]
O=C(Cc1ccc[nH]1)NCCOc1cccc(F)c1 c1c[nH]c(c1)C[*:1] O=C(NCCOc1cccc(F)c1)[*:1]
O=C(Cc1ccc[nH]1)NCCOc1cccc(F)c1 c1c[nH]c(c1)[*:1] O=C(C[*:1])NCCOc1cccc(F)c1
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1C N#Cc1ccc(cc1)C[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1C N#Cc1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC2)C[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N2CCN(CC2)Cc2ccc(C#N)cc2)c(C)c1[*:1]
Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)cc1 c1csc(c1)C[*:1] Cc1ccc(/C=C2\Oc3c4CN(COc4cc(C)c3C2=O)[*:1])cc1
Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)cc1 Cc1ccc(cc1)[*:1] Cc1cc2OCN(Cc3cccs3)Cc2c2OC(=C[*:1])C(=O)c12
Cc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)cc1 c1csc(c1)[*:1] Cc1ccc(/C=C2\Oc3c4CN(COc4cc(C)c3C2=O)C[*:1])cc1
Cc1cc(C[NH2+]C2CC2)nc([C@H]2CSCCO2)n1 C1CSC[C@@H](O1)[*:1] Cc1cc(C[NH2+]C2CC2)nc(n1)[*:1]
Cc1cc(C[NH2+]C2CC2)nc([C@H]2CSCCO2)n1 C1CC1[*:1] Cc1cc(C[NH2+][*:1])nc(n1)[C@H]1CSCCO1
CC(C)C[NH2+]Cc1ccccc1OC[C@H]1CN(C)CCO1 CN1CCO[C@H](C1)[*:1] CC(C)C[NH2+]Cc1ccccc1OC[*:1]
CC(C)C[NH2+]Cc1ccccc1OC[C@H]1CN(C)CCO1 CC(C)[*:1] CN1CCO[C@@H](COc2ccccc2C[NH2+]C[*:1])C1
CC(C)C[NH2+]Cc1ccccc1OC[C@H]1CN(C)CCO1 CC(C)C[*:1] CN1CCO[C@@H](COc2ccccc2C[NH2+][*:1])C1
COc1ccc(CN2CCN(C(=O)c3cc(Cl)cn3C)CC2)cc1 Cn1cc(Cl)cc1[*:1] COc1ccc(cc1)CN1CCN(CC1)C(=O)[*:1]
COc1ccc(CN2CCN(C(=O)c3cc(Cl)cn3C)CC2)cc1 COc1ccc(cc1)[*:1] Cn1cc(Cl)cc1C(=O)N1CCN(CC1)C[*:1]
Cc1[nH+]ccn1CCCC(=O)N1CCC([NH+]2CCC(O)CC2)CC1 Cc1[nH+]ccn1C[*:1] O=C(CC[*:1])N1CCC(CC1)[NH+]1CCC(O)CC1
Cc1[nH+]ccn1CCCC(=O)N1CCC([NH+]2CCC(O)CC2)CC1 Cc1[nH+]ccn1CC[*:1] O=C(C[*:1])N1CCC(CC1)[NH+]1CCC(O)CC1
Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3cccs3)c3c2CCC3)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)NC(=O)CSc1nc(=O)n(c2CCCc12)[*:1]
Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3cccs3)c3c2CCC3)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)NC(=O)CSc1nc(=O)n(C[*:1])c2CCCc12
Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3cccs3)c3c2CCC3)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nc(=O)n(Cc2cccs2)c2CCCc12)N[*:1]
CCC[C@@]1(c2nnc3cc(C)ccn23)CCC[NH2+]C1 CCC[*:1] Cc1ccn2c(nnc2c1)[C@]1(CCC[NH2+]C1)[*:1]
CCN(CC)C(=O)[C@@H]([NH2+]C1CCCC1)c1ccccc1 C1CCC(C1)[*:1] CCN(CC)C(=O)[C@@H]([NH2+][*:1])c1ccccc1
CCN(CC)C(=O)[C@@H]([NH2+]C1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@@H]([NH2+]C1CCCC1)[*:1]
CC(=O)Nc1ccc(NC(=O)NC2[C@@H](C)CCC[C@@H]2C)cc1 CC(=O)N[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)Nc1ccc(cc1)[*:1]
O=C1OCC[C@H]1N1CCC(C(=O)N2CCCCC2)CC1 O=C1OCC[C@@H]1[*:1] O=C(C1CCN(CC1)[*:1])N1CCCCC1
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(OC)c1 FC(F)(F)[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)Nc1ccc(F)c(c1)[*:1]
CCOc1c(F)cccc1C(=O)N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] CCOc1c(F)cccc1C(=O)N1CCN(CC1)C(=O)[*:1]
CCOc1c(F)cccc1C(=O)N1CCN(C(=O)c2cccs2)CC1 CCO[*:1] O=C(c1cccs1)N1CCN(CC1)C(=O)c1cccc(F)c1[*:1]
C=CC1CC[NH+](Cc2ccccc2OCCOC)CC1 COC[*:1] C=CC1CC[NH+](CC1)Cc1ccccc1OC[*:1]
C=CC1CC[NH+](Cc2ccccc2OCCOC)CC1 COCCO[*:1] C=CC1CC[NH+](CC1)Cc1ccccc1[*:1]
C=CC1CC[NH+](Cc2ccccc2OCCOC)CC1 COCC[*:1] C=CC1CC[NH+](CC1)Cc1ccccc1O[*:1]
COc1cccc(-c2nnn(Cc3cc(C=O)ccc3OC)n2)c1 COc1cccc(c1)[*:1] COc1ccc(C=O)cc1Cn1nnc(n1)[*:1]
Cc1ccc(CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[*:1]
Cc1ccc(CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C2CC2)cc1 Cc1ccc(cc1)[*:1] [NH3+]C[C@H]1CC[C@H](O1)C(=O)N(C[*:1])C1CC1
Cc1ccc(-n2cnnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(C)c1 NC(=O)[*:1] Cc1ccc(c(C)c1)-n1cnnc1SCC(=O)Nc1sc2CCCCc2c1[*:1]
Cc1ccc(-n2cnnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(C)c1 Cc1ccc(c(C)c1)[*:1] NC(=O)c1c(NC(=O)CSc2nncn2[*:1])sc2CCCCc21
O=C(Nc1cccc(C[NH2+]C[C@H]2COc3ccccc3O2)c1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1cccc(c1)C[NH2+]C[C@H]1COc2ccccc2O1)[*:1]
CC(C)(C)c1ccc(OC[C@H](O)CN2CC[NH+](C3CCCC3)CC2)cc1 CC(C)(C)[*:1] O[C@@H](COc1ccc(cc1)[*:1])CN1CC[NH+](CC1)C1CCCC1
CCC[C@@H](C(=O)N(C)Cc1ncc(CC)s1)c1ccccc1 CCC[*:1] CCc1cnc(CN(C)C(=O)[C@@H](c2ccccc2)[*:1])s1
CCC[C@@H](C(=O)N(C)Cc1ncc(CC)s1)c1ccccc1 CCc1cnc(s1)[*:1] CCC[C@@H](C(=O)N(C)C[*:1])c1ccccc1
CCC[C@@H](C(=O)N(C)Cc1ncc(CC)s1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C(=O)N(C)Cc1ncc(CC)s1)[*:1]
COc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)cc1F Fc1ccc(cc1)[*:1] COc1ccc(cc1F)NC(=O)C(=O)NCC1(CC1)[*:1]
Cc1nn(C)c2nc(-c3ccccn3)nc(N3CCc4n[nH]cc4C3)c12 c1ccc(nc1)[*:1] Cc1nn(C)c2nc(nc(c12)N1CCc2n[nH]cc2C1)[*:1]
CC(C)C[NH+]1CCN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 CC(C)[*:1] O=C(NC1CC1)c1cccc(c1)NC(=O)N1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 O=C(NC1CC1)[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
CC(C)C[NH+]1CCN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 C1CC1[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(C)C[NH+]1CCN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 CC(C)C[*:1] O=C(NC1CC1)c1cccc(c1)NC(=O)N1CC[NH+](CC1)[*:1]
O=C(CNS(=O)(=O)c1cc(Cl)sc1Cl)NCc1ccco1 Clc1cc(c(Cl)s1)[*:1] O=C(CNS(=O)(=O)[*:1])NCc1ccco1
O=C(CNS(=O)(=O)c1cc(Cl)sc1Cl)NCc1ccco1 c1coc(c1)C[*:1] O=C(CNS(=O)(=O)c1cc(Cl)sc1Cl)N[*:1]
O=C(CNS(=O)(=O)c1cc(Cl)sc1Cl)NCc1ccco1 c1coc(c1)[*:1] O=C(CNS(=O)(=O)c1cc(Cl)sc1Cl)NC[*:1]
c1ncn(-c2ccc(N[C@@H]3CC[NH2+]C3)cc2)n1 c1ncn(n1)[*:1] c1cc(ccc1N[C@@H]1CC[NH2+]C1)[*:1]
Clc1ccc(-c2ccn(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] Clc1ccc(cc1)-c1ccn(n1)[*:1]
C[C@@H](OC(=O)c1ccc(F)cc1OC(F)F)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](OC(=O)c1ccc(F)cc1OC(F)F)[*:1]
C[C@@H](OC(=O)c1ccc(F)cc1OC(F)F)c1ccccn1 FC(F)[*:1] C[C@@H](OC(=O)c1ccc(F)cc1O[*:1])c1ccccn1
C[C@@H](OC(=O)c1ccc(F)cc1OC(F)F)c1ccccn1 FC(F)O[*:1] C[C@@H](OC(=O)c1ccc(F)cc1[*:1])c1ccccn1
COCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O COCC[*:1] Cc1ccc2NC(=O)[C@]3(c2c1)[C@@H]1C(=O)N(C(=O)[C@@H]1[C@H]1CCCN13)[*:1]
COCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O COC[*:1] Cc1ccc2NC(=O)[C@]3(c2c1)[C@@H]1C(=O)N(C[*:1])C(=O)[C@@H]1[C@H]1CCCN13
C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(cc1)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(-n2ccnc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)c1ccc(cc1)-n1ccnc1)[*:1]
C[C@@H]1C[C@@H]([NH3+])CN(c2nc(C(C)(C)C)ns2)C1 CC(C)(C)[*:1] C[C@@H]1C[C@@H]([NH3+])CN(C1)c1nc(ns1)[*:1]
COC[C@H](C)Nc1ncc(Cl)cc1F COC[*:1] C[C@H](Nc1ncc(Cl)cc1F)[*:1]
C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)o1 O=C(N1CCOCC1)[*:1] C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(cc2)[*:1])o1
O=C1CN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CCN1 O=C1CN(CCN1)[*:1] O=C(C[*:1])NCc1ccc(o1)-c1ccc(Cl)cc1
O=C1CN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CCN1 Clc1ccc(cc1)[*:1] O=C1CN(CCN1)CC(=O)NCc1ccc(o1)[*:1]
O=C1CN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CCN1 O=C1CN(CCN1)C[*:1] O=C(NCc1ccc(o1)-c1ccc(Cl)cc1)[*:1]
CC[NH2+][C@H](C)c1cc(F)ccc1OCOCC CCOC[*:1] CC[NH2+][C@H](C)c1cc(F)ccc1O[*:1]
CC[NH2+][C@H](C)c1cc(F)ccc1OCOCC CCOCO[*:1] CC[NH2+][C@H](C)c1cc(F)ccc1[*:1]
CC[NH2+][C@H](C)c1cc(F)ccc1OCOCC CCO[*:1] CC[NH2+][C@H](C)c1cc(F)ccc1OC[*:1]
CC[C@@H](C)N(CC)C(=O)CNCC(F)(F)F FC(F)(F)[*:1] CC[C@@H](C)N(CC)C(=O)CNC[*:1]
CC[C@@H](C)N(CC)C(=O)CNCC(F)(F)F CC[C@@H](C)[*:1] CCN(C(=O)CNCC(F)(F)F)[*:1]
CC[C@@H](C)N(CC)C(=O)CNCC(F)(F)F FC(F)(F)C[*:1] CC[C@@H](C)N(CC)C(=O)CN[*:1]
Cc1ccc(CNC(=O)CSc2nnc([O-])[nH]c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnc([O-])[nH]c1=O)NC[*:1]
O=C(NCC1CCC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 C1CC(C1)[*:1] O=C(NC[*:1])N(Cc1ccc(cc1)C(F)(F)F)C1CC1
O=C(NCC1CCC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 C1CC1[*:1] O=C(NCC1CCC1)N(Cc1ccc(cc1)C(F)(F)F)[*:1]
O=C(NCC1CCC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 C1CC(C1)C[*:1] O=C(N[*:1])N(Cc1ccc(cc1)C(F)(F)F)C1CC1
O=C(NCC1CCC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 FC(F)(F)[*:1] O=C(NCC1CCC1)N(Cc1ccc(cc1)[*:1])C1CC1
CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(C)nn12)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] CC[C@H](Sc1nc2cc(OC)c(cc2c2nc(C)nn12)OC)[*:1]
CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(C)nn12)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC[C@H](Sc1nc2cc(OC)c(cc2c2nc(C)nn12)OC)C(=O)N[*:1]
CN(C)c1ncc(CN(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)s1 CN(C)[*:1] CN(Cc1cnc(s1)[*:1])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
CC(=O)N1CCCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 c1cc(cs1)[*:1] CC(=O)N1CCCN(CC1)C(=O)NC[C@H]([NH+](C)C)[*:1]
N/C(CSc1ccccc1[N+](=O)[O-])=N\O O=[N+]([O-])[*:1] N/C(CSc1ccccc1[*:1])=N\O
N/C(CSc1ccccc1[N+](=O)[O-])=N\O N/C(C[*:1])=N\O O=[N+]([O-])c1ccccc1S[*:1]
N/C(CSc1ccccc1[N+](=O)[O-])=N\O N/C(=N\O)[*:1] O=[N+]([O-])c1ccccc1SC[*:1]
Cc1nscc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Cc1nscc1[*:1] O=C(N1CCN(CC1)Cc1ccc(F)cc1)[*:1]
Cc1nscc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1nscc1C(=O)N1CCN(CC1)C[*:1]
Cc1ccc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2N)nc1 Cc1ccc(nc1)N[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1cccc2ccccc12
Cc1ccc(Nc2ncnc(NNC(=O)c3cccc4ccccc34)c2N)nc1 Cc1ccc(nc1)[*:1] Nc1c(ncnc1N[*:1])NNC(=O)c1cccc2ccccc12
CCOc1cccc2sc(N(CCn3nc(C)cc3C)C(=O)c3nc4ccccc4s3)nc12 Cc1cc(C)n(C[*:1])n1 CCOc1cccc2sc(nc12)N(C[*:1])C(=O)c1nc2ccccc2s1
CCOc1cccc2sc(N(CCn3nc(C)cc3C)C(=O)c3nc4ccccc4s3)nc12 Cc1cc(C)n(CC[*:1])n1 CCOc1cccc2sc(nc12)N(C(=O)c1nc2ccccc2s1)[*:1]
CCOc1cccc2sc(N(CCn3nc(C)cc3C)C(=O)c3nc4ccccc4s3)nc12 Cc1cc(C)n(n1)[*:1] CCOc1cccc2sc(nc12)N(CC[*:1])C(=O)c1nc2ccccc2s1
CCOc1cccc2sc(N(CCn3nc(C)cc3C)C(=O)c3nc4ccccc4s3)nc12 c1ccc2sc(nc2c1)[*:1] CCOc1cccc2sc(nc12)N(CCn1nc(C)cc1C)C(=O)[*:1]
CCOc1cccc2sc(N(CCn3nc(C)cc3C)C(=O)c3nc4ccccc4s3)nc12 CCO[*:1] Cc1cc(C)n(CCN(C(=O)c2nc3ccccc3s2)c2nc3c(cccc3s2)[*:1])n1
COc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(-c2cc(C)on2)c1C Cc1cc(no1)[*:1] COc1cc(ccc1OCC(=O)c1cc(C)n(c1C)[*:1])C(C)=O
COc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(-c2cc(C)on2)c1C CC(=O)[*:1] COc1cc(ccc1OCC(=O)c1cc(C)n(-c2cc(C)on2)c1C)[*:1]
Cc1cccc(CN2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1 Cc1cccc(c1)[*:1] Cc1cnc(cn1)-c1nnc(o1)[C@H]1CCN(C1)C[*:1]
Cc1cccc(CN2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1 Cc1cnc(cn1)[*:1] Cc1cccc(c1)CN1CC[C@@H](C1)c1nnc(o1)[*:1]
Cc1cccc(CN2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1 Cc1cccc(c1)C[*:1] Cc1cnc(cn1)-c1nnc(o1)[C@H]1CCN(C1)[*:1]
COC(=O)[C@]1(C)CCN(C(=O)c2cccc(OCC(F)F)n2)C1 FC(F)C[*:1] COC(=O)[C@]1(C)CCN(C1)C(=O)c1cccc(n1)O[*:1]
COC(=O)[C@]1(C)CCN(C(=O)c2cccc(OCC(F)F)n2)C1 COC(=O)[*:1] C[C@@]1(CCN(C1)C(=O)c1cccc(n1)OCC(F)F)[*:1]
COC(=O)[C@]1(C)CCN(C(=O)c2cccc(OCC(F)F)n2)C1 FC(F)[*:1] COC(=O)[C@]1(C)CCN(C1)C(=O)c1cccc(n1)OC[*:1]
COC(=O)[C@]1(C)CCN(C(=O)c2cccc(OCC(F)F)n2)C1 FC(F)CO[*:1] COC(=O)[C@]1(C)CCN(C1)C(=O)c1cccc(n1)[*:1]
CNC(=O)c1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c1CCCC2 c1ccc(cc1)[*:1] CNC(=O)c1c(NC(=O)c2cccc(c2)O[*:1])sc2CCCCc21
CNC(=O)c1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c1CCCC2 CNC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])c1cccc(c1)Oc1ccccc1
CNC(=O)c1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c1CCCC2 c1ccc(cc1)O[*:1] CNC(=O)c1c(NC(=O)c2cccc(c2)[*:1])sc2CCCCc21
C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](Sc1ccc(cn1)S(=O)(=O)N1CCCC1)C(=O)N[*:1]
C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1ccc(Br)cc1 O=S(=O)(N1CCCC1)[*:1] C[C@H](Sc1ccc(cn1)[*:1])C(=O)Nc1ccc(Br)cc1
Cc1cc(C)cc(NC(=O)c2nnn(Cc3nsnc3C)c2C)c1 Cc1nsnc1C[*:1] Cc1cc(C)cc(c1)NC(=O)c1nnn(c1C)[*:1]
Cc1cc(C)cc(NC(=O)c2nnn(Cc3nsnc3C)c2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1nsnc1Cn1nnc(C(=O)N[*:1])c1C
Cc1cc(C)cc(NC(=O)c2nnn(Cc3nsnc3C)c2C)c1 Cc1nsnc1[*:1] Cc1cc(C)cc(c1)NC(=O)c1nnn(C[*:1])c1C
Cn1cc(C(=O)O[C@@H]2C=C(c3ccc(Cl)cc3)CC2)ccc1=O Clc1ccc(cc1)[*:1] Cn1cc(ccc1=O)C(=O)O[C@@H]1C=C(CC1)[*:1]
CS(=O)(=O)c1nc(C(=O)OC[C@H]2CC=CCC2)c2ccccn12 CS(=O)(=O)[*:1] O=C(OC[C@H]1CC=CCC1)c1nc(n2ccccc12)[*:1]
Cc1nn(C)c(Cl)c1CS(=O)(=O)[C@@H](C)C(=O)N(C)C1CCCCC1 C1CCC(CC1)[*:1] Cc1nn(C)c(Cl)c1CS(=O)(=O)[C@@H](C)C(=O)N(C)[*:1]
Cc1nn(C)c(Cl)c1CS(=O)(=O)[C@@H](C)C(=O)N(C)C1CCCCC1 Cc1nn(C)c(Cl)c1[*:1] C[C@@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)C[*:1]
CN(CC(=O)N[C@@H](C#N)c1ccccc1F)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CC(=O)N[C@@H](C#N)c1ccccc1F)c1ccccc1[*:1]
CN(CC(=O)N[C@@H](C#N)c1ccccc1F)c1ccccc1[N+](=O)[O-] Fc1ccccc1[*:1] CN(CC(=O)N[C@@H](C#N)[*:1])c1ccccc1[N+](=O)[O-]
CCCN(CCc1ccccn1)C(=O)Nc1cccc(F)c1C CCC[*:1] Cc1c(F)cccc1NC(=O)N(CCc1ccccn1)[*:1]
CCCN(CCc1ccccn1)C(=O)Nc1cccc(F)c1C c1ccc(C[*:1])nc1 CCCN(C[*:1])C(=O)Nc1cccc(F)c1C
CCCN(CCc1ccccn1)C(=O)Nc1cccc(F)c1C c1ccc(nc1)[*:1] CCCN(CC[*:1])C(=O)Nc1cccc(F)c1C
Cc1ccc(OC2CC[NH+](Cc3cc[nH]c3)CC2)cc1 c1cc(c[nH]1)[*:1] Cc1ccc(cc1)OC1CC[NH+](CC1)C[*:1]
CC(=O)N(c1nc(CSc2nncn2C)cs1)c1c(C)cc(C)cc1Cl Cn1cnnc1SC[*:1] CC(=O)N(c1nc(cs1)[*:1])c1c(C)cc(C)cc1Cl
CC(=O)N(c1nc(CSc2nncn2C)cs1)c1c(C)cc(C)cc1Cl Cn1cnnc1S[*:1] CC(=O)N(c1nc(cs1)C[*:1])c1c(C)cc(C)cc1Cl
CC(=O)N(c1nc(CSc2nncn2C)cs1)c1c(C)cc(C)cc1Cl Cn1cnnc1[*:1] CC(=O)N(c1nc(cs1)CS[*:1])c1c(C)cc(C)cc1Cl
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)N1CCOCC1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])[C@@H](C)N1CCOCC1
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[N+](=O)[O-])[C@@H](C)[*:1]
CO[C@H]1CCC[C@@H](OC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)C1 Clc1ccccc1[*:1] CO[C@H]1CCC[C@H](C1)OC(=O)[C@@H](NC(=O)[*:1])C(C)C
CO[C@H]1CCC[C@@H](OC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)C1 CC(C)[*:1] CO[C@H]1CCC[C@H](C1)OC(=O)[C@@H](NC(=O)c1ccccc1Cl)[*:1]
O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 c1csc(c1)[*:1] O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 Fc1cc(Br)ccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-c1cccs1
CCOc1ccc(OC)cc1NC(=O)NC[C@H]1CCO[C@H]1C(C)C CCO[*:1] COc1ccc(c(c1)NC(=O)NC[C@H]1CCO[C@H]1C(C)C)[*:1]
CCOc1ccc(OC)cc1NC(=O)NC[C@H]1CCO[C@H]1C(C)C CC(C)[*:1] CCOc1ccc(cc1NC(=O)NC[C@H]1CCO[C@@H]1[*:1])OC
Cc1ccc([C@H]2CCCN2C(=O)C[C@@H](O)c2cccc(F)c2)cc1C Fc1cccc(c1)[*:1] Cc1ccc(cc1C)[C@H]1CCCN1C(=O)C[C@@H](O)[*:1]
Cc1ccc([C@H]2CCCN2C(=O)C[C@@H](O)c2cccc(F)c2)cc1C Cc1ccc(cc1C)[*:1] O=C(C[C@@H](O)c1cccc(F)c1)N1CCC[C@@H]1[*:1]
CCO[C@@H](C)c1noc(CN2CCN(C(=O)CC(F)(F)F)CC2)n1 FC(F)(F)C[*:1] CCO[C@@H](C)c1noc(CN2CCN(CC2)C(=O)[*:1])n1
CCO[C@@H](C)c1noc(CN2CCN(C(=O)CC(F)(F)F)CC2)n1 CCO[C@@H](C)[*:1] O=C(CC(F)(F)F)N1CCN(CC1)Cc1nc(no1)[*:1]
CCO[C@@H](C)c1noc(CN2CCN(C(=O)CC(F)(F)F)CC2)n1 CCO[*:1] C[C@@H](c1noc(CN2CCN(CC2)C(=O)CC(F)(F)F)n1)[*:1]
CCO[C@@H](C)c1noc(CN2CCN(C(=O)CC(F)(F)F)CC2)n1 FC(F)(F)[*:1] CCO[C@@H](C)c1noc(CN2CCN(CC2)C(=O)C[*:1])n1
O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 Clc1ccccc1[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])Nc1cccc(c1)[N+](=O)[O-]
O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)N[*:1]
O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 C1CN(CCO1)[*:1] O=C(NC[C@@H](c1ccccc1Cl)[*:1])Nc1cccc(c1)[N+](=O)[O-]
O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1cccc(c1)[*:1]
O=C(c1ccnc(OC2CCC2)c1)N1CCCSCC1 C1CC(C1)[*:1] O=C(c1ccnc(c1)O[*:1])N1CCCSCC1
O=C(c1ccnc(OC2CCC2)c1)N1CCCSCC1 C1CC(C1)O[*:1] O=C(c1ccnc(c1)[*:1])N1CCCSCC1
Cc1csc(SCC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)n1 Fc1ccc(c(F)c1)[*:1] Cc1csc(n1)SCC(=O)N[C@@H]1CCCc2c1cnn2[*:1]
Cc1csc(SCC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)n1 Cc1csc(n1)S[*:1] O=C(C[*:1])N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F
Cc1csc(SCC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)n1 Cc1csc(n1)[*:1] O=C(CS[*:1])N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F
Cc1csc(SCC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)n1 Cc1csc(n1)SC[*:1] O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[*:1]
Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1n2CCN1c1ccccc1 c1ccc(cc1)[*:1] Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1N(CCn12)[*:1]
Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1n2CCN1c1ccccc1 Clc1ccc(cc1)[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc1N(CCn12)c1ccccc1
Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1n2CCN1c1ccccc1 Clc1ccc(cc1)C[*:1] Cn1c(=O)n(c(=O)c2c1nc1N(CCn12)c1ccccc1)[*:1]
O=C([O-])[C@H]1CCC(=O)N1Cc1ccco1 O=C([O-])[*:1] O=C1CC[C@@H](N1Cc1ccco1)[*:1]
O=C([O-])[C@H]1CCC(=O)N1Cc1ccco1 c1coc(c1)[*:1] O=C([O-])[C@H]1CCC(=O)N1C[*:1]
COc1ccccc1CCC(=O)N1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 COc1ccccc1[*:1] CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)CC[*:1]
COc1cccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCO)CC(=O)N32)c1 OCC[*:1] COc1cccc(c1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
COc1cccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCO)CC(=O)N32)c1 COc1cccc(c1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](N2C(=O)CN1CCO)[*:1]
COc1ccc(CCNC(=O)c2sc(-c3c(F)cccc3OC)nc2C)cc1 COc1ccc(cc1)[*:1] COc1cccc(F)c1-c1nc(C)c(s1)C(=O)NCC[*:1]
COc1ccc(CCNC(=O)c2sc(-c3c(F)cccc3OC)nc2C)cc1 COc1ccc(cc1)C[*:1] COc1cccc(F)c1-c1nc(C)c(s1)C(=O)NC[*:1]
COc1ccc(CCNC(=O)c2sc(-c3c(F)cccc3OC)nc2C)cc1 COc1cccc(F)c1[*:1] COc1ccc(cc1)CCNC(=O)c1sc(nc1C)[*:1]
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=NNC(=O)Cc1ccc(cc1)[N+](=O)[O-])[*:1]
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)Cc1ccc(cc1)[*:1])c1ccc(Br)cc1
CCn1ccnc1S(=O)(=O)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 CCn1ccnc1[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)[C@@H](C)S(=O)(=O)[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)CCNC(=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)CCNC(=O)[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)CCNC(=O)c1ccc(F)cc1F CCC[*:1] C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2F)[C@H]1[*:1]
CCc1nn(C)c(Nn2c(C)ccc2C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(Nn2c(C)ccc2C)c1[*:1]
COc1ccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(=O)c2cccnc2n1CC(=O)N[*:1]
COc1ccc(NC(=O)Cn2c3ncccc3c(=O)n2-c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Cn1c2ncccc2c(=O)n1[*:1]
Cc1cc(C(=O)CCl)c(C)n1OCc1ccccc1 O=C(CCl)[*:1] Cc1cc(c(C)n1OCc1ccccc1)[*:1]
Cc1cc(C(=O)CCl)c(C)n1OCc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CCl)c(C)n1OC[*:1]
Cc1ccccc1[C@@H](C#N)NC(=O)CSc1nncn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1ccccc1[C@@H](C#N)NC(=O)CSc1nncn1[*:1]
Cc1ccccc1[C@@H](C#N)NC(=O)CSc1nncn1-c1cccc(Cl)c1 Cc1ccccc1[*:1] N#C[C@@H](NC(=O)CSc1nncn1-c1cccc(Cl)c1)[*:1]
O=C(CSc1ccccc1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 c1csc(c1)C[*:1] O=C(CSc1ccccc1Cl)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(CSc1ccccc1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 Clc1ccccc1[*:1] O=C(CS[*:1])N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1
O=C(CSc1ccccc1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] O=C(CSc1ccccc1Cl)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(CSc1ccccc1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 Clc1ccccc1S[*:1] O=C(C[*:1])N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(F)cc1S(=O)(=O)NNC(=O)c1oc2ccccc2c1C Cc1ccc(F)cc1[*:1] Cc1c(oc2ccccc12)C(=O)NNS(=O)(=O)[*:1]
CCC(=O)Oc1ccc(C(=O)N2CCCc3ccccc32)cc1 CCC(=O)O[*:1] O=C(c1ccc(cc1)[*:1])N1CCCc2ccccc21
CCOc1ccc([C@]2(CC)Nc3ccccc3C(=O)N2[C@H](C)CC)cc1 CC[C@@H](C)[*:1] CCOc1ccc(cc1)[C@]1(CC)Nc2ccccc2C(=O)N1[*:1]
CCOc1ccc([C@]2(CC)Nc3ccccc3C(=O)N2[C@H](C)CC)cc1 CCO[*:1] CC[C@@H](C)N1C(=O)c2ccccc2N[C@@]1(CC)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccc(cc1)[*:1]
CC(C)Nc1cccc(CNC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)c1 CC(C)N[*:1] C[C@@H](N1CCN(CC1)C(=O)NCc1cccc(c1)[*:1])C(F)(F)F
CC(C)Nc1cccc(CNC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)c1 CC(C)[*:1] C[C@@H](N1CCN(CC1)C(=O)NCc1cccc(c1)N[*:1])C(F)(F)F
CC(C)Nc1cccc(CNC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)c1 FC(F)(F)[*:1] CC(C)Nc1cccc(c1)CNC(=O)N1CCN(CC1)[C@H](C)[*:1]
CC(C)C[C@@H]1COCCN1C/C=C/Cl CC(C)C[*:1] Cl/C=C/CN1CCOC[C@H]1[*:1]
CC(C)C[C@@H]1COCCN1C/C=C/Cl ClC=C[*:1] CC(C)C[C@@H]1COCCN1C[*:1]
CC(C)C[C@@H]1COCCN1C/C=C/Cl CC(C)[*:1] Cl/C=C/CN1CCOC[C@H]1C[*:1]
CC(C)C[C@@H]1COCCN1C/C=C/Cl Cl/C=C/C[*:1] CC(C)C[C@@H]1COCCN1[*:1]
Cc1nnc(NCCOc2cccc(Br)c2)c(C#N)c1C Brc1cccc(c1)[*:1] Cc1nnc(NCCO[*:1])c(C#N)c1C
CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2nc3ccccc3n2C)cc1 Cn1c(nc2ccccc21)[*:1] CC(C)c1ccc(cc1)-n1cnnc1SCC(=O)NC[*:1]
CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2nc3ccccc3n2C)cc1 CC(C)c1ccc(cc1)[*:1] Cn1c(CNC(=O)CSc2nncn2[*:1])nc2ccccc21
CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2nc3ccccc3n2C)cc1 CC(C)[*:1] Cn1c(CNC(=O)CSc2nncn2-c2ccc(cc2)[*:1])nc2ccccc21
CC(C)c1ocnc1C(=O)OCCCC(N)=O NC(=O)[*:1] CC(C)c1ocnc1C(=O)OCCC[*:1]
CC(C)c1ocnc1C(=O)OCCCC(N)=O CC(C)[*:1] NC(=O)CCCOC(=O)c1ncoc1[*:1]
CC(C)c1ocnc1C(=O)OCCCC(N)=O NC(=O)C[*:1] CC(C)c1ocnc1C(=O)OCC[*:1]
CC(C)c1ocnc1C(=O)OCCCC(N)=O NC(=O)CC[*:1] CC(C)c1ocnc1C(=O)OC[*:1]
Cc1n[nH]c(C)c1NC(=O)Nc1ccnc(Sc2ccccn2)c1 Cc1n[nH]c(C)c1[*:1] O=C(Nc1ccnc(c1)Sc1ccccn1)N[*:1]
Cc1n[nH]c(C)c1NC(=O)Nc1ccnc(Sc2ccccn2)c1 c1ccc(nc1)[*:1] Cc1n[nH]c(C)c1NC(=O)Nc1ccnc(c1)S[*:1]
Cc1n[nH]c(C)c1NC(=O)Nc1ccnc(Sc2ccccn2)c1 c1ccc(nc1)S[*:1] Cc1n[nH]c(C)c1NC(=O)Nc1ccnc(c1)[*:1]
Cc1ccc([C@H]2COCCN2Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)o1 Cc1ccc(o1)[*:1] c1cc2OCCOc2cc1-c1n[nH]cc1CN1CCOC[C@@H]1[*:1]
COc1cccc(CNc2cccc(N3CCCC3=O)c2)c1OC(C)C CC(C)O[*:1] COc1cccc(CNc2cccc(c2)N2CCCC2=O)c1[*:1]
COc1cccc(CNc2cccc(N3CCCC3=O)c2)c1OC(C)C O=C1CCCN1[*:1] COc1cccc(CNc2cccc(c2)[*:1])c1OC(C)C
COc1cccc(CNc2cccc(N3CCCC3=O)c2)c1OC(C)C CC(C)[*:1] COc1cccc(CNc2cccc(c2)N2CCCC2=O)c1O[*:1]
C#CCNC(=O)CN[C@H](C1CCCC1)C(F)(F)F C1CCC(C1)[*:1] C#CCNC(=O)CN[C@H](C(F)(F)F)[*:1]
C#CCNC(=O)CN[C@H](C1CCCC1)C(F)(F)F C#CC[*:1] O=C(CN[C@H](C1CCCC1)C(F)(F)F)N[*:1]
C#CCNC(=O)CN[C@H](C1CCCC1)C(F)(F)F C#CCNC(=O)[*:1] FC(F)(F)[C@H](NC[*:1])C1CCCC1
C#CCNC(=O)CN[C@H](C1CCCC1)C(F)(F)F FC(F)(F)[*:1] C#CCNC(=O)CN[C@H](C1CCCC1)[*:1]
CC[C@@H](C)[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3cc(C)ccc3O)cc2C1=O Cc1ccc(O)c(c1)[*:1] CC[C@@H](C)[C@@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
CS[C@H]1CCC[C@H](NC(=O)c2cn(C)nc2-c2ccccc2)C1 c1ccc(cc1)[*:1] CS[C@H]1CCC[C@@H](C1)NC(=O)c1cn(C)nc1[*:1]
CCCC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] CCCC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)[*:1]
CCCC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 CCC[*:1] O=C(c1c[nH]c2ccccc12)[C@H]([NH2+]C[*:1])c1ccccc1
CC[C@@H](C(=O)Nc1cccc(C#N)c1)n1nc(-c2ccc(C)c(C)c2)ccc1=O N#Cc1cccc(c1)[*:1] CC[C@@H](C(=O)N[*:1])n1nc(ccc1=O)-c1ccc(C)c(C)c1
CC[C@@H](C(=O)Nc1cccc(C#N)c1)n1nc(-c2ccc(C)c(C)c2)ccc1=O Cc1ccc(cc1C)[*:1] CC[C@@H](C(=O)Nc1cccc(C#N)c1)n1nc(ccc1=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](n2c(C(F)(F)F)nc3ccccc32)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)n1c(nc2ccccc21)C(F)(F)F
CC(C)(C)OC(=O)N1CCC[C@H](n2c(C(F)(F)F)nc3ccccc32)C1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)n1c(nc2ccccc21)[*:1]
Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1F C1CCC(CC1)[*:1] Cc1ccc(cc1F)S(=O)(=O)N[*:1]
CC(C)(C)OC(=O)c1c(F)ccc(C(=O)[O-])c1N CC(C)(C)[*:1] Nc1c(ccc(F)c1C(=O)O[*:1])C(=O)[O-]
CC(C)(C)OC(=O)c1c(F)ccc(C(=O)[O-])c1N O=C([O-])[*:1] CC(C)(C)OC(=O)c1c(F)ccc(c1N)[*:1]
Cc1c(OCC#N)ccc2c1O/C(=C\c1ccncc1)C2=O N#CCO[*:1] Cc1c(ccc2C(=O)/C(=C/c3ccncc3)Oc21)[*:1]
Cc1c(OCC#N)ccc2c1O/C(=C\c1ccncc1)C2=O N#CC[*:1] Cc1c(ccc2C(=O)/C(=C/c3ccncc3)Oc21)O[*:1]
Cc1c(OCC#N)ccc2c1O/C(=C\c1ccncc1)C2=O c1cc(ccn1)[*:1] Cc1c(ccc2C(=O)C(=C[*:1])Oc21)OCC#N
COC(=O)c1ccccc1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2cnccn12 COC(=O)[*:1] c1ccc(c(c1)Nc1c(nc2cnccn12)-c1ccc(cc1)N1CCOCC1)[*:1]
COC(=O)c1ccccc1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2cnccn12 C1CN(CCO1)[*:1] COC(=O)c1ccccc1Nc1c(nc2cnccn12)-c1ccc(cc1)[*:1]
COC(=O)c1ccccc1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2cnccn12 COC(=O)c1ccccc1[*:1] c1cn2c(N[*:1])c(nc2cn1)-c1ccc(cc1)N1CCOCC1
O=C(CC[C@@H]1CCCO1)NCc1ccc(Cn2cnc3ccccc32)cc1 c1ccc2c(c1)ncn2[*:1] O=C(CC[C@@H]1CCCO1)NCc1ccc(cc1)C[*:1]
COc1ccccc1-c1nnc(S[C@H](C(=O)N(C)C)C(C)C)n1N COc1ccccc1[*:1] CC(C)[C@H](Sc1nnc(n1N)[*:1])C(=O)N(C)C
COc1ccccc1-c1nnc(S[C@H](C(=O)N(C)C)C(C)C)n1N CN(C)C(=O)[*:1] COc1ccccc1-c1nnc(S[C@H](C(C)C)[*:1])n1N
COc1ccccc1-c1nnc(S[C@H](C(=O)N(C)C)C(C)C)n1N CC(C)[*:1] COc1ccccc1-c1nnc(S[C@H](C(=O)N(C)C)[*:1])n1N
Cn1cnc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)c1 c1ccc(cc1)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)OC[*:1]
Cn1cnc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cn1cnc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)O[*:1]
Cn1cnc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)c1 Cn1cnc(c1)[*:1] O=C(OCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)[*:1]
CON(C)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F CON(C)C(=O)[*:1] FC(F)(F)c1ccccc1[C@H]1C[C@@H]1[*:1]
CON(C)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CON(C)C(=O)[C@H]1C[C@@H]1c1ccccc1[*:1]
C[NH+](C)CCN(CCc1ccccc1)C(=O)c1nc(Cl)ccc1Cl Clc1ccc(Cl)c(n1)[*:1] C[NH+](C)CCN(CCc1ccccc1)C(=O)[*:1]
C[NH+](C)CCN(CCc1ccccc1)C(=O)c1nc(Cl)ccc1Cl c1ccc(cc1)[*:1] C[NH+](C)CCN(CC[*:1])C(=O)c1nc(Cl)ccc1Cl
C[NH+](C)CCN(CCc1ccccc1)C(=O)c1nc(Cl)ccc1Cl c1ccc(cc1)CC[*:1] C[NH+](C)CCN(C(=O)c1nc(Cl)ccc1Cl)[*:1]
C[NH+](C)CCN(CCc1ccccc1)C(=O)c1nc(Cl)ccc1Cl c1ccc(cc1)C[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1nc(Cl)ccc1Cl
CCN(C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCCC1 O=S(=O)(C(F)F)[*:1] CCN(C(=O)Nc1ccc(cc1)[*:1])C1CCCC1
CCN(C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)F)[*:1]
CCN(C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCCC1 FC(F)[*:1] CCN(C(=O)Nc1ccc(cc1)S(=O)(=O)[*:1])C1CCCC1
CCCn1c(C)nnc1CS(=O)(=O)[C@H](C)C(=O)NC1CCCCC1 CCC[*:1] Cc1nnc(CS(=O)(=O)[C@H](C)C(=O)NC2CCCCC2)n1[*:1]
CCCn1c(C)nnc1CS(=O)(=O)[C@H](C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CCCn1c(C)nnc1CS(=O)(=O)[C@H](C)C(=O)N[*:1]
Nc1nc(N2CC(=O)N(CCc3ccccc3)C(=O)C2)ncc1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Nc1nc(ncc1C(=O)NCc1ccccc1)N1CC(=O)N(C[*:1])C(=O)C1
Nc1nc(N2CC(=O)N(CCc3ccccc3)C(=O)C2)ncc1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Nc1nc(ncc1C(=O)NCc1ccccc1)N1CC(=O)N(CC[*:1])C(=O)C1
Nc1nc(N2CC(=O)N(CCc3ccccc3)C(=O)C2)ncc1C(=O)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] Nc1nc(ncc1[*:1])N1CC(=O)N(CCc2ccccc2)C(=O)C1
Nc1nc(N2CC(=O)N(CCc3ccccc3)C(=O)C2)ncc1C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Nc1nc(ncc1C(=O)N[*:1])N1CC(=O)N(CCc2ccccc2)C(=O)C1
Nc1nc(N2CC(=O)N(CCc3ccccc3)C(=O)C2)ncc1C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Nc1nc(ncc1C(=O)NC[*:1])N1CC(=O)N(CCc2ccccc2)C(=O)C1
Nc1nc(N2CC(=O)N(CCc3ccccc3)C(=O)C2)ncc1C(=O)NCc1ccccc1 c1ccc(cc1)CC[*:1] Nc1nc(ncc1C(=O)NCc1ccccc1)N1CC(=O)N(C(=O)C1)[*:1]
O=C(NCc1cccc(OCC(F)F)n1)C(=O)Nc1ccsc1 FC(F)[*:1] O=C(NCc1cccc(n1)OC[*:1])C(=O)Nc1ccsc1
O=C(NCc1cccc(OCC(F)F)n1)C(=O)Nc1ccsc1 c1cc(cs1)[*:1] O=C(NCc1cccc(n1)OCC(F)F)C(=O)N[*:1]
O=C(NCc1cccc(OCC(F)F)n1)C(=O)Nc1ccsc1 FC(F)C[*:1] O=C(NCc1cccc(n1)O[*:1])C(=O)Nc1ccsc1
O=C(NCc1cccc(OCC(F)F)n1)C(=O)Nc1ccsc1 FC(F)CO[*:1] O=C(NCc1cccc(n1)[*:1])C(=O)Nc1ccsc1
CCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F FC(F)(F)C[*:1] CCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1O[*:1]
CCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] CCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1[*:1]
CCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F FC(F)(F)[*:1] CCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1OC[*:1]
CCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F CCS(=O)(=O)C[*:1] O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[*:1]
CCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F CCS(=O)(=O)[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1OCC(F)(F)F
CCS(=O)(=O)c1ccc(NC(=O)N2CCC(C)CC2)cc1 CCS(=O)(=O)[*:1] CC1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
C[NH+](C)C(C)(C)CNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[NH+](C)C(C)(C)CNC(=O)NCC[NH+]1CCN(CC1)[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nnc(C)n3c2)c1 Cc1cnn(c1)[*:1] Cc1nnc2ccc(cn12)C(=O)N1CCC[C@@H]1C[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3nnc(C)n3c2)c1 Cc1cnn(c1)C[*:1] Cc1nnc2ccc(cn12)C(=O)N1CCC[C@@H]1[*:1]
CC(C)[C@H](CNC(=O)Nc1ccnn1C(C)C)N1CC[NH+](C)CC1 CC(C)[*:1] CC(C)n1nccc1NC(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1]
CC(C)[C@H](CNC(=O)Nc1ccnn1C(C)C)N1CC[NH+](C)CC1 CC(C)n1nccc1[*:1] CC(C)[C@H](CNC(=O)N[*:1])N1CC[NH+](C)CC1
CC(C)[C@H](CNC(=O)Nc1ccnn1C(C)C)N1CC[NH+](C)CC1 CC(C)[*:1] CC(C)[C@H](CNC(=O)Nc1ccnn1[*:1])N1CC[NH+](C)CC1
Cn1cc[nH+]c1[C@@H]1[C@@H](C(=O)[O-])CC(=O)N1CCCOC1CCCCC1 C1CCC(CC1)O[*:1] Cn1cc[nH+]c1[C@@H]1[C@H](CC(=O)N1CCC[*:1])C(=O)[O-]
Cn1cc[nH+]c1[C@@H]1[C@@H](C(=O)[O-])CC(=O)N1CCCOC1CCCCC1 O=C([O-])[*:1] Cn1cc[nH+]c1[C@@H]1[C@@H](CC(=O)N1CCCOC1CCCCC1)[*:1]
Cn1cc[nH+]c1[C@@H]1[C@@H](C(=O)[O-])CC(=O)N1CCCOC1CCCCC1 C1CCC(CC1)[*:1] Cn1cc[nH+]c1[C@@H]1[C@H](CC(=O)N1CCCO[*:1])C(=O)[O-]
Cn1cc[nH+]c1[C@@H]1[C@@H](C(=O)[O-])CC(=O)N1CCCOC1CCCCC1 C1CCC(CC1)OC[*:1] Cn1cc[nH+]c1[C@@H]1[C@H](CC(=O)N1CC[*:1])C(=O)[O-]
O=C(Nc1nc2c(s1)CCCC2)c1nn(Cc2ccccc2)c(=O)c2ccccc12 C1CCc2sc(nc2C1)[*:1] O=C(N[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
O=C(Nc1nc2c(s1)CCCC2)c1nn(Cc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] O=C(Nc1nc2CCCCc2s1)c1nn(C[*:1])c(=O)c2ccccc12
O=C(Nc1nc2c(s1)CCCC2)c1nn(Cc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)C[*:1] O=C(Nc1nc2CCCCc2s1)c1nn(c(=O)c2ccccc12)[*:1]
CSCC(=O)Nc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 CSC[*:1] O=C(Nc1ccc(cc1)OCc1cccc(c1)[N+](=O)[O-])[*:1]
CSCC(=O)Nc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CSCC(=O)Nc1ccc(cc1)OCc1cccc(c1)[*:1]
CSCC(=O)Nc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 CSCC(=O)N[*:1] O=[N+]([O-])c1cccc(c1)COc1ccc(cc1)[*:1]
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-n2cncn2)c(C)c1 CCOC(=O)[*:1] CC1NC(=S)N[C@H](C=1[*:1])c1ccc(c(C)c1)-n1cncn1
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-n2cncn2)c(C)c1 c1ncn(n1)[*:1] CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(c(C)c1)[*:1]
Fc1ccc(OC(F)F)cc1 FC(F)[*:1] Fc1ccc(cc1)O[*:1]
CC(C)N1C(=O)c2ccc(C(=O)OCc3ccccc3Cl)cc2C1=O Clc1ccccc1[*:1] CC(C)N1C(=O)c2ccc(cc2C1=O)C(=O)OC[*:1]
CC(C)N1C(=O)c2ccc(C(=O)OCc3ccccc3Cl)cc2C1=O Clc1ccccc1C[*:1] CC(C)N1C(=O)c2ccc(cc2C1=O)C(=O)O[*:1]
CC(C)N1C(=O)c2ccc(C(=O)OCc3ccccc3Cl)cc2C1=O CC(C)[*:1] O=C(OCc1ccccc1Cl)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
Cc1cccc(Cn2cccc(C(=O)N3CCOc4ccccc4C3)c2=O)c1 Cc1cccc(c1)C[*:1] O=C(c1cccn(c1=O)[*:1])N1CCOc2ccccc2C1
Cc1cccc(Cn2cccc(C(=O)N3CCOc4ccccc4C3)c2=O)c1 Cc1cccc(c1)[*:1] O=C(c1cccn(C[*:1])c1=O)N1CCOc2ccccc2C1
CCS[C@@H]1CC[C@H](NC(=O)N(C)Cc2cccs2)C1 c1csc(c1)C[*:1] CCS[C@@H]1CC[C@@H](C1)NC(=O)N(C)[*:1]
CCS[C@@H]1CC[C@H](NC(=O)N(C)Cc2cccs2)C1 c1csc(c1)[*:1] CCS[C@@H]1CC[C@@H](C1)NC(=O)N(C)C[*:1]
CCS[C@@H]1CC[C@H](NC(=O)N(C)Cc2cccs2)C1 CCS[*:1] CN(Cc1cccs1)C(=O)N[C@H]1CC[C@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=S)Nc2ccccc2F)C1 Fc1ccccc1[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=S)N[*:1]
CCOC(=O)[C@H]1CCCN(C(=S)Nc2ccccc2F)C1 CCOC(=O)[*:1] Fc1ccccc1NC(=S)N1CCC[C@@H](C1)[*:1]
O=S(=O)(Nc1ccccc1F)c1cccc2ccccc12 Fc1ccccc1[*:1] O=S(=O)(N[*:1])c1cccc2ccccc12
O=C(N[C@@]1(Cc2ccccc2)NC(c2ccccc2)=NC1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@]1(C[*:1])NC(=NC1=O)c1ccccc1)c1ccccc1
O=C(N[C@@]1(Cc2ccccc2)NC(c2ccccc2)=NC1=O)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C1N=C(N[C@@]1(Cc1ccccc1)[*:1])c1ccccc1
O=C(N[C@@]1(Cc2ccccc2)NC(c2ccccc2)=NC1=O)c1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@]1(NC(=NC1=O)c1ccccc1)[*:1])c1ccccc1
O=C(N[C@@]1(Cc2ccccc2)NC(c2ccccc2)=NC1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C1N=C(N[C@]1(Cc1ccccc1)NC(=O)[*:1])c1ccccc1
O=C(N[C@@]1(Cc2ccccc2)NC(c2ccccc2)=NC1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@]1(Cc2ccccc2)NC(=NC1=O)[*:1])c1ccccc1
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Nc1ccc(Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)Nc1ccc(Cl)cc1
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)N[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)[*:1])[C@H]1CCS(=O)(=O)C1
C[C@H](CNCc1csc(C2CC2)n1)c1nc(-c2ccccc2)no1 c1sc(nc1[*:1])C1CC1 C[C@H](CNC[*:1])c1nc(no1)-c1ccccc1
C[C@H](CNCc1csc(C2CC2)n1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](CNCc1csc(n1)C1CC1)c1nc(no1)[*:1]
C[C@H](CNCc1csc(C2CC2)n1)c1nc(-c2ccccc2)no1 C1CC1[*:1] C[C@H](CNCc1csc(n1)[*:1])c1nc(no1)-c1ccccc1
C[C@@H](NC(=O)CCC1=c2cc(F)ccc2=[NH+][C@H]1c1ccc(F)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)CCC1=c2cc(F)ccc2=[NH+][C@H]1c1ccc(F)cc1)[*:1]
C[C@@H](NC(=O)CCC1=c2cc(F)ccc2=[NH+][C@H]1c1ccc(F)cc1)c1ccncc1 C[C@@H](c1ccncc1)[*:1] O=C(CCC1=c2cc(F)ccc2=[NH+][C@H]1c1ccc(F)cc1)N[*:1]
C[C@@H](NC(=O)CCC1=c2cc(F)ccc2=[NH+][C@H]1c1ccc(F)cc1)c1ccncc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCC1=c2cc(F)ccc2=[NH+][C@@H]1[*:1])c1ccncc1
CCOC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@]2(C)C(=O)[O-])cc1 CCOC(=O)[*:1] C[C@]1(CC=CC[C@@H]1C(=O)Nc1ccc(cc1)[*:1])C(=O)[O-]
CCOC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@]2(C)C(=O)[O-])cc1 O=C([O-])[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[C@H]1CC=CC[C@]1(C)[*:1]
CC(C)(C)C(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 CC(C)(C)[*:1] O=C(N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Nc1nccc(n1)-c1cccc(F)c1)[*:1]
CC(C)(C)C(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 CC(C)(C)C(=O)N[*:1] Fc1cccc(c1)-c1ccnc(n1)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)[*:1]
CC(C)(C)C(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 Fc1cccc(c1)[*:1] CC(C)(C)C(=O)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Nc1nccc(n1)[*:1]
Cc1nc(CO/N=C(/N)c2ccc(N3CCCCC3)cc2)sc1C C1CCN(CC1)[*:1] Cc1nc(CO/N=C(/N)c2ccc(cc2)[*:1])sc1C
Cc1nc(CO/N=C(/N)c2ccc(N3CCCCC3)cc2)sc1C Cc1nc(sc1C)[*:1] N/C(=N/OC[*:1])c1ccc(cc1)N1CCCCC1
Cc1nc(CO/N=C(/N)c2ccc(N3CCCCC3)cc2)sc1C Cc1nc(C[*:1])sc1C N/C(=N/O[*:1])c1ccc(cc1)N1CCCCC1
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2OCOc2c1)[*:1]
Cc1ccc([C@@H](C(=O)N(C)CCc2cn[nH]c2)N(C)C)cc1 CN(C)[*:1] Cc1ccc(cc1)[C@@H](C(=O)N(C)CCc1cn[nH]c1)[*:1]
Cc1ccc([C@@H](C(=O)N(C)CCc2cn[nH]c2)N(C)C)cc1 c1n[nH]cc1C[*:1] Cc1ccc(cc1)[C@@H](C(=O)N(C)C[*:1])N(C)C
Cc1ccc([C@@H](C(=O)N(C)CCc2cn[nH]c2)N(C)C)cc1 c1n[nH]cc1CC[*:1] Cc1ccc(cc1)[C@@H](C(=O)N(C)[*:1])N(C)C
Cc1ccc([C@@H](C(=O)N(C)CCc2cn[nH]c2)N(C)C)cc1 Cc1ccc(cc1)[*:1] CN(CCc1cn[nH]c1)C(=O)[C@@H](N(C)C)[*:1]
Cc1ccc([C@@H](C(=O)N(C)CCc2cn[nH]c2)N(C)C)cc1 c1n[nH]cc1[*:1] Cc1ccc(cc1)[C@@H](C(=O)N(C)CC[*:1])N(C)C
CC/C=C/COC(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CC/C=C/COC(=O)c1cnc(s1)[*:1]
CC/C=C/COC(=O)c1cnc([C@@H]2CCCO2)s1 CC/C=C/C[*:1] O=C(O[*:1])c1cnc(s1)[C@@H]1CCCO1
CC/C=C/COC(=O)c1cnc([C@@H]2CCCO2)s1 CCC=C[*:1] O=C(OC[*:1])c1cnc(s1)[C@@H]1CCCO1
C[C@H](NC(=O)c1sccc1Br)c1ccc2c(c1)CCC(=O)N2 Brc1ccsc1[*:1] C[C@H](NC(=O)[*:1])c1ccc2NC(=O)CCc2c1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc2cc[nH]c2n1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)NCc1ccccc1)c1ccc2cc[nH]c2n1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc2cc[nH]c2n1 c1ccc(cc1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)NC[*:1])c1ccc2cc[nH]c2n1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc2cc[nH]c2n1 O=C(NCc1ccccc1)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1ccc2cc[nH]c2n1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc2cc[nH]c2n1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)NCc1ccccc1)[*:1])c1ccc2cc[nH]c2n1
O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc2cc[nH]c2n1 c1ccc(cc1)C[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1ccc2cc[nH]c2n1
CC(C)(C)N(C(=O)[O-])[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)N(C(=O)[O-])[C@@H]1CCCC[C@H]1[NH2+]C[*:1]
CC(C)(C)N(C(=O)[O-])[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(C)N(C(=O)[O-])[C@@H]1CCCC[C@H]1[NH2+][*:1]
CC(C)(C)N(C(=O)[O-])[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 CC(C)(C)[*:1] O=C([O-])N([C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)[*:1]
COc1cc(C)c([C@H](C)N[C@H](C(=O)N2CCCC2)C(C)C)cc1OC O=C(N1CCCC1)[*:1] COc1cc(C)c(cc1OC)[C@H](C)N[C@H](C(C)C)[*:1]
COc1cc(C)c([C@H](C)N[C@H](C(=O)N2CCCC2)C(C)C)cc1OC CC(C)[*:1] COc1cc(C)c(cc1OC)[C@H](C)N[C@H](C(=O)N1CCCC1)[*:1]
Cc1cc(NC(=O)Cc2ccc3c(c2)CCO3)no1 Cc1cc(no1)[*:1] O=C(Cc1ccc2OCCc2c1)N[*:1]
CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccco1 Fc1ccc(cc1)[*:1] CCCOc1cn(nc1C(=O)NCc1ccco1)[*:1]
CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccco1 c1coc(c1)[*:1] CCCOc1cn(nc1C(=O)NC[*:1])-c1ccc(F)cc1
CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccco1 CCC[*:1] O=C(NCc1ccco1)c1nn(cc1O[*:1])-c1ccc(F)cc1
CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccco1 c1coc(c1)C[*:1] CCCOc1cn(nc1C(=O)N[*:1])-c1ccc(F)cc1
CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccco1 CCCO[*:1] O=C(NCc1ccco1)c1nn(cc1[*:1])-c1ccc(F)cc1
O=S(=O)(Cc1cccc(F)c1)NC[C@]1(N2CCOCC2)CCSC1 C1CN(CCO1)[*:1] O=S(=O)(Cc1cccc(F)c1)NC[C@@]1(CCSC1)[*:1]
O=S(=O)(Cc1cccc(F)c1)NC[C@]1(N2CCOCC2)CCSC1 Fc1cccc(c1)C[*:1] O=S(=O)(NC[C@@]1(CCSC1)N1CCOCC1)[*:1]
O=S(=O)(Cc1cccc(F)c1)NC[C@]1(N2CCOCC2)CCSC1 Fc1cccc(c1)[*:1] O=S(=O)(C[*:1])NC[C@@]1(CCSC1)N1CCOCC1
C[C@@H]1COCCN1CN1C(=O)C(=O)c2cc(-c3ccccc3)ccc21 c1ccc(cc1)[*:1] C[C@@H]1COCCN1CN1C(=O)C(=O)c2cc(ccc21)[*:1]
CCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 CCC[*:1] CN(C(=O)c1ccc(Cl)cc1)c1ccc(cc1)NC(=O)C(=O)N[*:1]
CCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCCNC(=O)C(=O)Nc1ccc(cc1)N(C)C(=O)[*:1]
C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CN(CC[C@H]1[*:1])c1ncccc1[N+](=O)[O-]
C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 O=[N+]([O-])[*:1] C[C@@H]1CN(CC[C@@H]1c1ccccc1)c1ncccc1[*:1]
Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)o2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc(F)cc1F
Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)o2)c1 Fc1ccc(c(F)c1)[*:1] Cc1cc(C)cc(c1)-c1nnc(o1)SCC(=O)N[*:1]
CC(C)CC(=O)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 CC(C)C[*:1] O=C1[C@H]2CCCCN2C(=O)c2ccccc2N1C(=O)[*:1]
CC(C)CC(=O)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 CC(C)[*:1] O=C(C[*:1])N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21
Cc1cccc(NC(=O)CN(C)C(=O)c2cc(Cl)sc2Cl)c1C Clc1cc(c(Cl)s1)[*:1] Cc1cccc(NC(=O)CN(C)C(=O)[*:1])c1C
O=[N+]([O-])c1cccnc1NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1 O=[N+]([O-])[*:1] c1cnc(NC[C@@H]([C@@H]2CCOC2)[NH+]2CCCC2)c(c1)[*:1]
O=[N+]([O-])c1cccnc1NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1 C1C[C@H](CO1)[*:1] O=[N+]([O-])c1cccnc1NC[C@@H]([NH+]1CCCC1)[*:1]
CC[C@@H](CC1CCCC1)C(=O)NCc1ncn(C)n1 C1CCC(C1)C[*:1] CC[C@@H](C(=O)NCc1ncn(C)n1)[*:1]
CC[C@@H](CC1CCCC1)C(=O)NCc1ncn(C)n1 C1CCC(C1)[*:1] CC[C@@H](C[*:1])C(=O)NCc1ncn(C)n1
CC[C@@H](CC1CCCC1)C(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CC[C@@H](CC1CCCC1)C(=O)NC[*:1]
COCCNC(=O)Nc1nc2c(C)ccc(Cl)c2s1 COCC[*:1] Cc1ccc(Cl)c2sc(nc12)NC(=O)N[*:1]
COCCNC(=O)Nc1nc2c(C)ccc(Cl)c2s1 COC[*:1] Cc1ccc(Cl)c2sc(nc12)NC(=O)NC[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1Cc1ccncc1 c1ccc(cc1)[*:1] O=C1c2[nH]nc(c2[C@@H](c2cccc(F)c2)N1Cc1ccncc1)[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1Cc1ccncc1 c1cc(ccn1)C[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1Cc1ccncc1 Fc1cccc(c1)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](N1Cc1ccncc1)[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1Cc1ccncc1 c1cc(ccn1)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1C[*:1]
O=C(OCCO)N1CC[C@H](c2ccccc2)C1 OCC[*:1] O=C(O[*:1])N1CC[C@@H](C1)c1ccccc1
O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CCO[C@]2(CCc3ccccc32)C1 Clc1cccc(c1)[*:1] O=C(c1cnn(c1)[*:1])N1CCO[C@]2(CCc3ccccc32)C1
O=C(NCc1ccccc1-n1ccnc1)[C@]1(O)CCSC1 c1cn(cn1)[*:1] O=C(NCc1ccccc1[*:1])[C@]1(O)CCSC1
C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)CCC3CC3)cc2)C[C@@H](C)O1 C1CC1CC[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)CCC3CC3)cc2)C[C@@H](C)O1 C1CC1C[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)[N-]S(=O)(=O)C[*:1]
C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)CCC3CC3)cc2)C[C@@H](C)O1 C1CC1[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)[N-]S(=O)(=O)CC[*:1]
Cc1ccc([C@H](O)CNC(=O)C2CCC2)cc1 C1CC(C1)[*:1] Cc1ccc(cc1)[C@H](O)CNC(=O)[*:1]
CCOc1c(OC)cccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1OC)C2 CCOc1c(cccc1[*:1])OC COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2[*:1]
CCOc1c(OC)cccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1OC)C2 COc1ccccc1[*:1] CCOc1c(cccc1[C@H]1Nc2ccccc2NC2C[C@H](CC(=O)C=21)[*:1])OC
CCOc1c(OC)cccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1OC)C2 CCO[*:1] COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(OC)c1[*:1]
CCc1nc(CNCCc2cccs2)cs1 c1csc(c1)[*:1] CCc1nc(cs1)CNCC[*:1]
N#CCC[C@@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccccc1 N#CC[*:1] c1ccc(cc1)[C@@H](C[*:1])N[C@@H]1CC2(CCCC2)Oc2ccccc21
N#CCC[C@@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccccc1 N#CCC[*:1] c1ccc(cc1)[C@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)[*:1]
N#CCC[C@@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] N#CCC[C@@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(F)c3cccnc23)cc1 CC(=O)[*:1] CN(Cc1ccc(F)c2cccnc12)S(=O)(=O)c1ccc(cc1)[*:1]
CCCc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)n(C)n1 CCC[*:1] CC[S@](=O)[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1cc(nn1C)[*:1]
C=CCO/C([O-])=C1\C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@H]2[C@H]1c1ccncc1 C=CCO[*:1] CC1=NC2=NC(=NC(=O)[C@H]2[C@H](C1=C([O-])[*:1])c1ccncc1)SCC(C)C
C=CCO/C([O-])=C1\C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@H]2[C@H]1c1ccncc1 C=CC[*:1] CC1=NC2=NC(=NC(=O)[C@H]2[C@H](/C1=C(\[O-])O[*:1])c1ccncc1)SCC(C)C
C=CCO/C([O-])=C1\C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@H]2[C@H]1c1ccncc1 c1cc(ccn1)[*:1] C=CCO/C([O-])=C1\C(C)=NC2=NC(=NC(=O)[C@H]2[C@@H]1[*:1])SCC(C)C
C=CCO/C([O-])=C1\C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@H]2[C@H]1c1ccncc1 CC(C)C[*:1] C=CCO/C([O-])=C1\C(C)=NC2=NC(=NC(=O)[C@H]2[C@H]1c1ccncc1)S[*:1]
C=CCO/C([O-])=C1\C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@H]2[C@H]1c1ccncc1 CC(C)[*:1] C=CCO/C([O-])=C1\C(C)=NC2=NC(=NC(=O)[C@H]2[C@H]1c1ccncc1)SC[*:1]
Cc1cc(C)cc(NC(=O)CC[NH+]2CCN(CCO)CC2)c1 OCC[*:1] Cc1cc(C)cc(c1)NC(=O)CC[NH+]1CCN(CC1)[*:1]
Cc1ccc(OCCC(=O)NCc2csc(C3CC3)n2)c(C)c1 C1CC1[*:1] Cc1ccc(OCCC(=O)NCc2csc(n2)[*:1])c(C)c1
CCCN(CC1CC[NH2+]CC1)C(=O)c1ccc(O)c(Cl)c1 CCC[*:1] O=C(c1ccc(O)c(Cl)c1)N(CC1CC[NH2+]CC1)[*:1]
CSCc1ccnc(N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 CSC[*:1] O[C@@H](C[C@@H]1CCCN1c1cc(ccn1)[*:1])c1ccc(F)cc1
CSCc1ccnc(N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CSCc1ccnc(c1)N1CCC[C@H]1C[C@H](O)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](NC(C)=O)C1 CC(=O)N[*:1] CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C1)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](NC(C)=O)C1 c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)N1CCC[C@@H](C1)NC(C)=O)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](NC(C)=O)C1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)N1CCC[C@@H](C1)NC(C)=O
Cc1ccc(/C([O-])=C\C(=O)C(=O)Nc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)/C([O-])=C\C(=O)C(=O)N[*:1]
Cc1ccc(/C([O-])=C\C(=O)C(=O)Nc2cccc(F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(/C=C(/[O-])[*:1])C(=O)Nc1cccc(F)c1
Cc1ccccc1S(=O)(=O)[C@@H](C)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccccc1S(=O)(=O)[C@@H](C)C(=O)N(C)[*:1]
Cc1ccccc1S(=O)(=O)[C@@H](C)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1S(=O)(=O)[C@@H](C)C(=O)N(C)C[*:1]
Cc1ccccc1S(=O)(=O)[C@@H](C)C(=O)N(C)Cc1ccccc1 Cc1ccccc1[*:1] C[C@@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)[*:1]
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccnn1C(C)(C)C CC(C)(C)[*:1] C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccnn1[*:1]
Cc1nc(C)c(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c(=O)[nH]1 Fc1ccc(cc1)[*:1] Cc1nc(C)c(CC(=O)N(C)[C@@H](C)[*:1])c(=O)[nH]1
CCc1noc(C)c1C(=O)N(C)C1(C(=O)OC)CCCCC1 COC(=O)[*:1] CCc1noc(C)c1C(=O)N(C)C1(CCCCC1)[*:1]
CC(C)[C@@H](CNC(=O)N1CCC[C@@H](CO)C1)[NH+]1CCCCCC1 CC(C)[*:1] O=C(NC[C@@H]([NH+]1CCCCCC1)[*:1])N1CCC[C@@H](CO)C1
C[C@@H]1CC(C(=O)NCCn2cccc2)C[C@@H](C)O1 c1ccn(c1)C[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NC[*:1]
C[C@@H]1CC(C(=O)NCCn2cccc2)C[C@@H](C)O1 c1ccn(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCC[*:1]
CCn1c(C(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)cc2ccccc21 COC(=O)[*:1] CCn1c(cc2ccccc21)C(=O)N1CCC[C@@H](C1)C(C)(C)[*:1]
CCn1c(C(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)cc2ccccc21 COC(=O)C(C)(C)[*:1] CCn1c(cc2ccccc21)C(=O)N1CCC[C@H](C1)[*:1]
C[C@](O)(CNC(=O)C(=O)Nc1cccc2cccnc12)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNC(=O)C(=O)Nc1cccc2cccnc12)[*:1]
C[C@H](O)CCNC(=O)[C@H]1C=C[C@@H]([NH3+])C1 C[C@H](O)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)NCC[*:1]
C[C@H](O)CCNC(=O)[C@H]1C=C[C@@H]([NH3+])C1 C[C@H](O)C[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)NC[*:1]
C[C@H](c1ccccn1)N(C)Cc1csc(CC(=O)N(C)C)n1 CN(C)C(=O)C[*:1] C[C@H](c1ccccn1)N(C)Cc1csc(n1)[*:1]
C[C@H](c1ccccn1)N(C)Cc1csc(CC(=O)N(C)C)n1 CN(C)C(=O)[*:1] C[C@H](c1ccccn1)N(C)Cc1csc(C[*:1])n1
C[C@H](c1ccccn1)N(C)Cc1csc(CC(=O)N(C)C)n1 c1ccc(nc1)[*:1] C[C@H](N(C)Cc1csc(CC(=O)N(C)C)n1)[*:1]
C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)[*:1]
COc1ccccc1C[NH+]1CCC(C(=O)NCCC(C)C)CC1 CC(C)[*:1] COc1ccccc1C[NH+]1CCC(CC1)C(=O)NCC[*:1]
COc1ccccc1C[NH+]1CCC(C(=O)NCCC(C)C)CC1 CC(C)CC[*:1] COc1ccccc1C[NH+]1CCC(CC1)C(=O)N[*:1]
COc1ccccc1C[NH+]1CCC(C(=O)NCCC(C)C)CC1 CC(C)C[*:1] COc1ccccc1C[NH+]1CCC(CC1)C(=O)NC[*:1]
[NH3+]C[C@H]1CCCC[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2o1 O=[N+]([O-])[*:1] [NH3+]C[C@H]1CCCC[C@H]1Nc1nc2ccc(cc2o1)[*:1]
CC(C)(NC(=O)NCc1ccncc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)(NC(=O)NCc1ccncc1)c1cccc(c1)[*:1]
CC(C)(NC(=O)NCc1ccncc1)c1cccc(C(F)(F)F)c1 c1cc(ccn1)C[*:1] CC(C)(NC(=O)N[*:1])c1cccc(c1)C(F)(F)F
CC(C)(NC(=O)NCc1ccncc1)c1cccc(C(F)(F)F)c1 c1cc(ccn1)[*:1] CC(C)(NC(=O)NC[*:1])c1cccc(c1)C(F)(F)F
C[C@]12C(=O)N(CCCO)CC(=O)N1C[C@H](c1ccc(Cl)cc1)C1=c3ccccc3=[NH+][C@@H]12 OCCC[*:1] C[C@]12C(=O)N(CC(=O)N1C[C@@H](C1=c3ccccc3=[NH+][C@@H]12)c1ccc(Cl)cc1)[*:1]
C[C@]12C(=O)N(CCCO)CC(=O)N1C[C@H](c1ccc(Cl)cc1)C1=c3ccccc3=[NH+][C@@H]12 OCC[*:1] C[C@]12C(=O)N(CC(=O)N1C[C@@H](C1=c3ccccc3=[NH+][C@@H]12)c1ccc(Cl)cc1)C[*:1]
C[C@]12C(=O)N(CCCO)CC(=O)N1C[C@H](c1ccc(Cl)cc1)C1=c3ccccc3=[NH+][C@@H]12 Clc1ccc(cc1)[*:1] C[C@]12C(=O)N(CCCO)CC(=O)N1C[C@H](C1=c3ccccc3=[NH+][C@@H]12)[*:1]
Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 c1ccc(cc1)[*:1] Cc1c(nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(cc1)OC(F)(F)F)[*:1]
Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] Cc1c(nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(cc1)[*:1])-c1ccccc1
Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] Cc1c(nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(cc1)O[*:1])-c1ccccc1
COC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1NC(=O)c1ccc(OC)cc1F COC(=O)[*:1] COc1ccc(C(=O)N[C@H]2[C@H]([C@H]3CC[C@@H]2C3)[*:1])c(F)c1
CCOc1ccccc1-c1cccc(C(=O)N(C)Cc2c(C)noc2C)c1 CCO[*:1] Cc1noc(C)c1CN(C)C(=O)c1cccc(c1)-c1ccccc1[*:1]
CCOc1ccccc1-c1cccc(C(=O)N(C)Cc2c(C)noc2C)c1 Cc1noc(C)c1C[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)N(C)[*:1]
CCOc1ccccc1-c1cccc(C(=O)N(C)Cc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)N(C)C[*:1]
CCOc1ccccc1-c1cccc(C(=O)N(C)Cc2c(C)noc2C)c1 CCOc1ccccc1[*:1] Cc1noc(C)c1CN(C)C(=O)c1cccc(c1)[*:1]
COCC(=O)NCCc1ccccc1C COC[*:1] Cc1ccccc1CCNC(=O)[*:1]
Cc1ccccc1-c1noc(CC[NH3+])n1 [NH3+]CC[*:1] Cc1ccccc1-c1noc(n1)[*:1]
COC(=O)[C@@](Nc1cc(C)cc[nH+]1)(Nc1nc2ccccc2s1)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@@](Nc1cc(C)cc[nH+]1)(Nc1nc2ccccc2s1)[*:1]
COC(=O)[C@@](Nc1cc(C)cc[nH+]1)(Nc1nc2ccccc2s1)C(F)(F)F c1ccc2sc(nc2c1)[*:1] COC(=O)[C@@](Nc1cc(C)cc[nH+]1)(N[*:1])C(F)(F)F
COC(=O)[C@@](Nc1cc(C)cc[nH+]1)(Nc1nc2ccccc2s1)C(F)(F)F COC(=O)[*:1] Cc1cc[nH+]c(c1)N[C@@](Nc1nc2ccccc2s1)(C(F)(F)F)[*:1]
CN(C)c1ncc(CN(CCO)Cc2cccnc2)s1 OCC[*:1] CN(C)c1ncc(CN(Cc2cccnc2)[*:1])s1
CN(C)c1ncc(CN(CCO)Cc2cccnc2)s1 CN(C)[*:1] OCCN(Cc1cccnc1)Cc1cnc(s1)[*:1]
CN(C)c1ncc(CN(CCO)Cc2cccnc2)s1 c1cncc(c1)[*:1] CN(C)c1ncc(CN(CCO)C[*:1])s1
O=C(NCc1ccccc1F)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 Fc1ccccc1[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1ccc(=O)n(n1)-c1ccc(F)cc1
O=C(NCc1ccccc1F)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 Fc1ccccc1C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(=O)n(n1)-c1ccc(F)cc1
O=C(NCc1ccccc1F)[C@H]1CCCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)C1 Fc1ccc(cc1)[*:1] O=C(NCc1ccccc1F)[C@H]1CCCN(C1)c1ccc(=O)n(n1)[*:1]
CC1(C)C[NH+]=C(N2CCN(C/C=C/c3ccc(C#N)cc3)CC2)S1 N#Cc1ccc(cc1)[*:1] CC1(C)C[NH+]=C(S1)N1CCN(CC=C[*:1])CC1
CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccs1 c1csc(c1)[*:1] CCNC(=O)[C@@H]1CCC(=O)N1C[*:1]
CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccs1 CCNC(=O)[*:1] O=C1CC[C@H](N1Cc1cccs1)[*:1]
O=C([O-])c1ccc(CN2C(=O)S[C@@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)N[C@@H]1SC(=O)N(C[*:1])C1=O
O=C([O-])c1ccc(CN2C(=O)S[C@@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 O=C([O-])[*:1] O=C([O-])c1ccc(cc1)N[C@@H]1SC(=O)N(Cc2ccc(cc2)[*:1])C1=O
O=C([O-])c1ccc(CN2C(=O)S[C@@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 O=C([O-])[*:1] O=C([O-])c1ccc(cc1)CN1C(=O)S[C@@H](Nc2ccc(cc2)[*:1])C1=O
O=C([O-])c1ccc(CN2C(=O)S[C@@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)CN1C(=O)S[C@@H](N[*:1])C1=O
Brc1cccc(CSc2n[nH]c(N/N=C/c3ccccc3)n2)c1 Brc1cccc(c1)[*:1] C(=N/Nc1nc(n[nH]1)SC[*:1])\c1ccccc1
Brc1cccc(CSc2n[nH]c(N/N=C/c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Brc1cccc(c1)CSc1n[nH]c(n1)NN=C[*:1]
Cc1ccc(CCC(=O)Nc2ccnn2Cc2ccsc2)o1 Cc1ccc(o1)[*:1] O=C(CC[*:1])Nc1ccnn1Cc1ccsc1
Cc1ccc(CCC(=O)Nc2ccnn2Cc2ccsc2)o1 Cc1ccc(C[*:1])o1 O=C(C[*:1])Nc1ccnn1Cc1ccsc1
Cc1ccc(CCC(=O)Nc2ccnn2Cc2ccsc2)o1 c1cc(cs1)[*:1] Cc1ccc(CCC(=O)Nc2ccnn2C[*:1])o1
Cc1ccc(CCC(=O)Nc2ccnn2Cc2ccsc2)o1 c1cc(cs1)C[*:1] Cc1ccc(CCC(=O)Nc2ccnn2[*:1])o1
CC[C@H](C)C[NH2+][C@H](C)CS(=O)(=O)CC CC[C@H](C)[*:1] CCS(=O)(=O)C[C@@H](C)[NH2+]C[*:1]
CCN(C(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 CC(C)(C)[*:1] CCN(C(=O)Nc1nnc(s1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCN(C(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)Nc1nnc(s1)C(C)(C)C)[*:1]
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(C)[C@H](C)c2ccco2)cc1 Cc1ccc(cc1)[*:1] C[C@H](SCC(=O)N[*:1])C(=O)N(C)[C@H](C)c1ccco1
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N(C)[C@H](C)c2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)NC(=O)CS[C@@H](C)C(=O)N(C)[C@H](C)[*:1]
O=c1c2ccccc2ncn1CCCOc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] O=c1c2ccccc2ncn1CCCOc1ccc(cc1)[*:1]
O=c1c2ccccc2ncn1CCCOc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=c1c2ccccc2ncn1CCCOc1ccc(cc1)O[*:1]
O=c1c2ccccc2ncn1CCCOc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=c1c2ccccc2ncn1CCCOc1ccc(cc1)OC[*:1]
CCCCCC[C@H]1C[NH+]=C(N)N1c1ccc(Br)cc1 CCCCCC[*:1] NC1=[NH+]C[C@@H](N1c1ccc(Br)cc1)[*:1]
CCCCCC[C@H]1C[NH+]=C(N)N1c1ccc(Br)cc1 CCCC[*:1] NC1=[NH+]C[C@H](CC[*:1])N1c1ccc(Br)cc1
CCCCCC[C@H]1C[NH+]=C(N)N1c1ccc(Br)cc1 CCCCC[*:1] NC1=[NH+]C[C@H](C[*:1])N1c1ccc(Br)cc1
CCCCCC[C@H]1C[NH+]=C(N)N1c1ccc(Br)cc1 CCC[*:1] NC1=[NH+]C[C@H](CCC[*:1])N1c1ccc(Br)cc1
CN(CC(C)(C)O)S(=O)(=O)c1c(F)cccc1F CC(C)(O)[*:1] CN(C[*:1])S(=O)(=O)c1c(F)cccc1F
CN(CC(C)(C)O)S(=O)(=O)c1c(F)cccc1F CC(C)(O)C[*:1] CN(S(=O)(=O)c1c(F)cccc1F)[*:1]
CCC[C@H](NC(=O)C1(C#N)CCC1)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)C1(C#N)CCC1)[*:1]
CCC[C@H](NC(=O)C1(C#N)CCC1)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)C1(C#N)CCC1)[*:1]
CSc1nc2ncnc(N[C@H](CO)c3ccccc3)c2s1 c1ccc(cc1)[*:1] CSc1nc2ncnc(N[C@H](CO)[*:1])c2s1
C#CCNCc1nc(Cc2ccc(F)cc2F)no1 C#CCNC[*:1] Fc1ccc(Cc2noc(n2)[*:1])c(F)c1
C#CCNCc1nc(Cc2ccc(F)cc2F)no1 C#CCN[*:1] Fc1ccc(Cc2noc(C[*:1])n2)c(F)c1
C#CCNCc1nc(Cc2ccc(F)cc2F)no1 C#CC[*:1] Fc1ccc(Cc2noc(CN[*:1])n2)c(F)c1
CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cn1C CNC(=O)[*:1] C[C@H]1CC[C@@H](CN1S(=O)(=O)c1cc(n(C)c1)[*:1])C(N)=O
CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cn1C NC(=O)[*:1] CNC(=O)c1cc(cn1C)S(=O)(=O)N1C[C@@H](CC[C@@H]1C)[*:1]
C=CCNC(=O)[C@@H](C)Oc1ccc(C=O)nc1 C=CC[*:1] C[C@@H](Oc1ccc(C=O)nc1)C(=O)N[*:1]
O=C([O-])[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)[*:1]
O=C([O-])[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H](Sc1nnc(-c2ccncc2)n1[*:1])c1ccccc1
O=C([O-])[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccccc1 c1cc(ccn1)[*:1] O=C([O-])[C@H](Sc1nnc(n1-c1ccccc1)[*:1])c1ccccc1
O=C([O-])[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccccc1 O=C([O-])[*:1] c1ccc(cc1)[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)[*:1]
CCOC[C@H]1CCCN(C(=O)NCc2cc(F)cc(OC)c2)C1 CCOC[*:1] COc1cc(F)cc(c1)CNC(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)NCc2cc(F)cc(OC)c2)C1 CCO[*:1] COc1cc(F)cc(c1)CNC(=O)N1CCC[C@@H](C1)C[*:1]
COC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)NCC2CCCCC2)CC1 C1CCC(CC1)[*:1] COC[C@@H](C)[NH+]1CCN(CC1)[C@@H](C)C(=O)NC[*:1]
COC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)NCC2CCCCC2)CC1 COC[*:1] C[C@@H](C(=O)NCC1CCCCC1)N1CC[NH+](CC1)[C@H](C)[*:1]
COC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)NCC2CCCCC2)CC1 C1CCC(CC1)C[*:1] COC[C@@H](C)[NH+]1CCN(CC1)[C@@H](C)C(=O)N[*:1]
Cc1ccc([C@H](C)NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)N[C@@](C)(C(=O)[O-])[*:1]
Cc1ccc([C@H](C)NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)o1 O=C([O-])[*:1] Cc1ccc(o1)[C@H](C)NC(=O)N[C@@](C)(C(F)(F)F)[*:1]
Cc1ccc([C@H](C)NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)[*:1]
CN(Cc1ccccc1Br)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 Brc1ccccc1C[*:1] CN(C(=O)[C@@H]1CC(=O)N(C1)[C@H]1CCS(=O)(=O)C1)[*:1]
CN(Cc1ccccc1Br)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 Brc1ccccc1[*:1] CN(C[*:1])C(=O)[C@@H]1CC(=O)N(C1)[C@H]1CCS(=O)(=O)C1
CN(Cc1ccccc1Br)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@@H](C1)[*:1] CN(Cc1ccccc1Br)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cccc(N(C)C(C)C)c1 Cc1nn(C)c(C)c1[*:1] CC(C)N(C)c1cccc(c1)NC(=O)C(=O)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cccc(N(C)C(C)C)c1 CC(C)[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cccc(c1)N(C)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cccc(N(C)C(C)C)c1 CC(C)N(C)[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cccc(c1)[*:1]
CN(C/C=C/c1ccccc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 c1cncc(c1)[*:1] CN(C/C=C/c1ccccc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@H]13)O2
CN(C/C=C/c1ccccc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 C(=C/c1ccccc1)\C[*:1] CN(C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2)[*:1]
CN(C/C=C/c1ccccc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 C(=C[*:1])c1ccccc1 CN(C[*:1])C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2
CN(C/C=C/c1ccccc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 c1ccc(cc1)[*:1] CN(CC=C[*:1])C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2
CN(C/C=C/c1ccccc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 c1cncc(c1)C[*:1] CN(C/C=C/c1ccccc1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2
Cc1cc(C)n2c(SCc3ccccc3)nnc2c1 c1ccc(cc1)[*:1] Cc1cc(C)n2c(nnc2c1)SC[*:1]
CC[C@H](NC(=O)N(C)Cc1ccccc1-c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)N(C)Cc1ccccc1-c1ccccc1)[*:1]
CC[C@H](NC(=O)N(C)Cc1ccccc1-c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)N(C)Cc1ccccc1[*:1])c1ccncc1
COCc1nc2cc(NC(=O)c3cnn(-c4ccccn4)c3C)ccc2o1 c1ccc(nc1)[*:1] COCc1nc2cc(ccc2o1)NC(=O)c1cnn(c1C)[*:1]
COCc1nc2cc(NC(=O)c3cnn(-c4ccccn4)c3C)ccc2o1 COC[*:1] Cc1c(cnn1-c1ccccn1)C(=O)Nc1ccc2oc(nc2c1)[*:1]
Cc1nc(-c2cc3c(s2)CCN(C(=O)CC2CCOCC2)C3)cs1 Cc1nc(cs1)[*:1] O=C(CC1CCOCC1)N1CCc2sc(cc2C1)[*:1]
Cc1nc(-c2cc3c(s2)CCN(C(=O)CC2CCOCC2)C3)cs1 C1CC(CCO1)C[*:1] Cc1nc(cs1)-c1cc2CN(CCc2s1)C(=O)[*:1]
Cc1nc(-c2cc3c(s2)CCN(C(=O)CC2CCOCC2)C3)cs1 C1CC(CCO1)[*:1] Cc1nc(cs1)-c1cc2CN(CCc2s1)C(=O)C[*:1]
Cc1ccccc1C[C@H]([NH3+])c1cccc(C(F)(F)F)c1F Cc1ccccc1[*:1] [NH3+][C@@H](C[*:1])c1cccc(c1F)C(F)(F)F
Cc1ccccc1C[C@H]([NH3+])c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] Cc1ccccc1C[C@H]([NH3+])c1cccc(c1F)[*:1]
O[C@@H](CN[C@@H]1CCCOc2c(Cl)cccc21)c1ccncc1 c1cc(ccn1)[*:1] O[C@@H](CN[C@@H]1CCCOc2c(Cl)cccc21)[*:1]
CCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2c1=O Cc1ccc(cc1)[*:1] CCCCn1c(=O)[nH]c2cc(ccc2c1=O)-c1nc(no1)[*:1]
CCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2c1=O CCC[*:1] Cc1ccc(cc1)-c1noc(n1)-c1ccc2c(=O)n(C[*:1])c(=O)[nH]c2c1
CCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2c1=O CCCC[*:1] Cc1ccc(cc1)-c1noc(n1)-c1ccc2c(=O)n(c(=O)[nH]c2c1)[*:1]
Cc1c(C(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)cnn1C Cc1c(cnn1C)[*:1] O=C(NCc1ccc(cc1)Sc1ccc(F)cc1)[*:1]
Cc1c(C(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)cnn1C Fc1ccc(cc1)S[*:1] Cc1c(cnn1C)C(=O)NCc1ccc(cc1)[*:1]
Cc1c(C(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)cnn1C Fc1ccc(cc1)[*:1] Cc1c(cnn1C)C(=O)NCc1ccc(cc1)S[*:1]
Cc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1[*:1])C(=O)N1C[C@H](C)O[C@H](C)C1
Cc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)N1C[C@H](C)O[C@H](C)C1
CCN(C(=O)c1cc(COc2cccc(C(C)=O)c2)on1)C1CCCC1 CC(=O)[*:1] CCN(C(=O)c1cc(COc2cccc(c2)[*:1])on1)C1CCCC1
CCN(C(=O)c1cc(COc2cccc(C(C)=O)c2)on1)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)c1cc(COc2cccc(c2)C(C)=O)on1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)C(=O)Nc2ccccc21 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)CN1C[C@H](C)C(=O)Nc2ccccc21)[*:1]
COc1cccc(C(=O)Nc2ccc3c(c2)C(=[N+]2CCOCC2)Nc2cc(Cl)ccc2O3)c1 COc1cccc(c1)C(=O)N[*:1] Clc1ccc2Oc3ccc(cc3C(Nc2c1)=[N+]1CCOCC1)[*:1]
COc1cccc(C(=O)Nc2ccc3c(c2)C(=[N+]2CCOCC2)Nc2cc(Cl)ccc2O3)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc2Oc3ccc(Cl)cc3NC(c2c1)=[N+]1CCOCC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnnn1-c1ccccc1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1NC(=O)CSc1nnnn1-c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)CSc1nnnn1[*:1])S(=O)(=O)N1CCOCC1
CCCC(=O)N1CCC(C(=O)N2c3ccccc3OC[C@@H]2C)CC1 CCC[*:1] C[C@H]1COc2ccccc2N1C(=O)C1CCN(CC1)C(=O)[*:1]
CN(Cc1nc2c(s1)CCCC2)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN(Cc1nc2CCCCc2s1)C(=O)[C@H]1C[C@@H]1[*:1]
CCn1ncnc1CN1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 CCn1ncnc1[*:1] Cn1nc([C@@H]2CCCN(C2)C[*:1])n(-c2ccccc2)c1=O
CCn1ncnc1CN1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 CCn1ncnc1C[*:1] Cn1nc([C@@H]2CCCN(C2)[*:1])n(-c2ccccc2)c1=O
CCn1ncnc1CN1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 c1ccc(cc1)[*:1] CCn1ncnc1CN1CCC[C@H](C1)c1nn(C)c(=O)n1[*:1]
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)[*:1]
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)c(F)c1 c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)[C@H]1C[C@H]1[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)c(F)c1 COC(=O)[*:1] O=C(N[C@H](c1ccc(Cl)c(F)c1)[*:1])[C@H]1C[C@@H]1c1ccccc1
Cc1ccccc1NC(=O)N(C)Cc1cccn1C Cn1cccc1[*:1] Cc1ccccc1NC(=O)N(C)C[*:1]
CN1CCCN(C(=O)c2cccc(F)c2)c2nc3ccccc3nc21 Fc1cccc(c1)[*:1] CN1CCCN(C(=O)[*:1])c2nc3ccccc3nc21
CC(C)Nc1cccc(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c1 FC(F)(F)[*:1] CC(C)Nc1cccc(c1)CNC(=O)N[C@@H]1CCN(C1)C[*:1]
CC(C)Nc1cccc(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c1 CC(C)N[*:1] O=C(NCc1cccc(c1)[*:1])N[C@@H]1CCN(C1)CC(F)(F)F
CC(C)Nc1cccc(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c1 FC(F)(F)C[*:1] CC(C)Nc1cccc(c1)CNC(=O)N[C@@H]1CCN(C1)[*:1]
CC(C)Nc1cccc(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c1 CC(C)[*:1] O=C(NCc1cccc(c1)N[*:1])N[C@@H]1CCN(C1)CC(F)(F)F
C[C@H]1CN(Cc2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)C[C@@H](C)O1 Clc1ccc(cc1)[*:1] C[C@H]1CN(Cc2csc(n2)NC(=O)C(C)(C)O[*:1])C[C@@H](C)O1
C[C@H]1CN(Cc2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)C[C@@H](C)O1 Clc1ccc(cc1)O[*:1] C[C@H]1CN(Cc2csc(n2)NC(=O)C(C)(C)[*:1])C[C@@H](C)O1
O=[N+]([O-])c1nonc1-n1cc(CO)nn1 O=[N+]([O-])[*:1] OCc1cn(nn1)-c1nonc1[*:1]
CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2cc(Br)ccc21 Clc1ccc(cc1)[*:1] CCn1c(=O)n(c(=O)c2cc(Br)ccc21)[*:1]
Cc1cccc(NCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 Cc1cccc(c1)[*:1] O=C(CN[*:1])Nc1ccc(cc1)OC[C@@H]1CCCO1
Cc1cccc(NCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 C1CO[C@@H](C1)CO[*:1] Cc1cccc(c1)NCC(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(NCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 Cc1cccc(c1)N[*:1] O=C(C[*:1])Nc1ccc(cc1)OC[C@@H]1CCCO1
O=C([O-])c1cccnc1Sc1cccc(C(F)(F)F)c1 O=C([O-])[*:1] FC(F)(F)c1cccc(c1)Sc1ncccc1[*:1]
O=C([O-])c1cccnc1Sc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C([O-])c1cccnc1Sc1cccc(c1)[*:1]
CCOC(=O)[C@@H]1CCCN(c2nc3c(S(=O)(=O)c4ccc(CC)cc4)nnn3c3ccsc23)C1 CCOC(=O)[*:1] CCc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(c1sccc12)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(c2nc3c(S(=O)(=O)c4ccc(CC)cc4)nnn3c3ccsc23)C1 CCc1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)c1nc2c(nnn2c2ccsc12)S(=O)(=O)[*:1]
CCOC(=O)[C@@H]1CCCN(c2nc3c(S(=O)(=O)c4ccc(CC)cc4)nnn3c3ccsc23)C1 CCc1ccc(cc1)S(=O)(=O)[*:1] CCOC(=O)[C@@H]1CCCN(C1)c1nc2c(nnn2c2ccsc12)[*:1]
CCN(C(=O)[C@H](C)N1CC[NH+](CCC(C)C)CC1)C1CCCCC1 CC(C)CC[*:1] CCN(C(=O)[C@H](C)N1CC[NH+](CC1)[*:1])C1CCCCC1
CCN(C(=O)[C@H](C)N1CC[NH+](CCC(C)C)CC1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)[C@H](C)N1CC[NH+](CCC(C)C)CC1)[*:1]
CCN(C(=O)[C@H](C)N1CC[NH+](CCC(C)C)CC1)C1CCCCC1 CC(C)C[*:1] CCN(C(=O)[C@H](C)N1CC[NH+](CC1)C[*:1])C1CCCCC1
CCN(C(=O)[C@H](C)N1CC[NH+](CCC(C)C)CC1)C1CCCCC1 CC(C)[*:1] CCN(C(=O)[C@H](C)N1CC[NH+](CC1)CC[*:1])C1CCCCC1
CCS[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc(C)o2)C1 Cc1ccc(o1)[*:1] CCS[C@@H]1CC[C@H](C1)NC(=O)NNC(=O)[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2ccc(C)o2)C1 CCS[*:1] Cc1ccc(o1)C(=O)NNC(=O)N[C@@H]1CC[C@H](C1)[*:1]
O=C(CCc1cc2n(n1)CC[NH2+]C2)NCc1nc(Cc2ccccc2)no1 c1ccc(cc1)[*:1] O=C(CCc1cc2C[NH2+]CCn2n1)NCc1nc(C[*:1])no1
O=C(CCc1cc2n(n1)CC[NH2+]C2)NCc1nc(Cc2ccccc2)no1 c1ccc(cc1)C[*:1] O=C(CCc1cc2C[NH2+]CCn2n1)NCc1nc(no1)[*:1]
Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H](C)[S@](C)=O)CCCO2 C[S@](=O)[*:1] Cc1cc(C)c2OCCC[C@H]([NH2+]C[C@H](C)[*:1])c2c1
CNC(=O)Nc1ccccc1OCCC(N)=O NC(=O)C[*:1] CNC(=O)Nc1ccccc1OC[*:1]
CNC(=O)Nc1ccccc1OCCC(N)=O NC(=O)[*:1] CNC(=O)Nc1ccccc1OCC[*:1]
CNC(=O)Nc1ccccc1OCCC(N)=O CNC(=O)N[*:1] NC(=O)CCOc1ccccc1[*:1]
CNC(=O)Nc1ccccc1OCCC(N)=O NC(=O)CC[*:1] CNC(=O)Nc1ccccc1O[*:1]
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1N1CCOCC1)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1ccc(cc1N1CCOCC1)N1CCOCC1)[*:1]
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1N1CCOCC1)N1CCOCC1)c1cccc(c1)[*:1]
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1[*:1])N1CCOCC1)c1cccc(c1)[N+](=O)[O-]
CCN(C(=O)NC)[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCN(C(=O)NC)[C@@H]1CCN(C1=O)[*:1]
CC(C)c1nc(NC(=O)N[C@H]2CCCN(c3ccccc3)C2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)N[C@H]1CCCN(C1)c1ccccc1)[*:1]
CC(C)c1nc(NC(=O)N[C@H]2CCCN(c3ccccc3)C2)n(C)n1 c1ccc(cc1)[*:1] CC(C)c1nc(NC(=O)N[C@H]2CCCN(C2)[*:1])n(C)n1
Cc1nn(C)c(C)c1CCC(=O)Nc1sccc1C(=O)[O-] O=C([O-])[*:1] Cc1nn(C)c(C)c1CCC(=O)Nc1sccc1[*:1]
Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)c(C)nc12 Clc1ccc(cc1)CC[*:1] Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)N[*:1])c(C)nc12
Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)c(C)nc12 Clc1ccc(cc1)C[*:1] Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)NC[*:1])c(C)nc12
Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)c(C)nc12 Clc1ccc(cc1)[*:1] Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)NCC[*:1])c(C)nc12
O=C([O-])CCN1CCN(C(=O)c2n[nH]c3ccccc23)CC1 O=C([O-])CC[*:1] O=C(c1n[nH]c2ccccc12)N1CCN(CC1)[*:1]
O=C([O-])CCN1CCN(C(=O)c2n[nH]c3ccccc23)CC1 O=C([O-])[*:1] O=C(c1n[nH]c2ccccc12)N1CCN(CC1)CC[*:1]
O=C([O-])CCN1CCN(C(=O)c2n[nH]c3ccccc23)CC1 O=C([O-])C[*:1] O=C(c1n[nH]c2ccccc12)N1CCN(CC1)C[*:1]
CCC[C@@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)c1cnc(s1)-c1cnn(C)c1)[*:1]
CCC[C@@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)c1cnc(s1)-c1cnn(C)c1)[*:1]
CCC[C@@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)C(=O)OC Cn1cc(cn1)[*:1] CCC[C@@H](NC(=O)c1cnc(s1)[*:1])C(=O)OC
CC(C)C(=O)N1CCC(=NOCC(=O)Nc2cccc(C(C)C)c2)CC1 CC(C)[*:1] CC(C)C(=O)N1CCC(CC1)=NOCC(=O)Nc1cccc(c1)[*:1]
CC(C)C(=O)N1CCC(=NOCC(=O)Nc2cccc(C(C)C)c2)CC1 CC(C)[*:1] CC(C)c1cccc(c1)NC(=O)CON=C1CCN(CC1)C(=O)[*:1]
O=C(NCCCn1ccnc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 c1cn(cn1)C[*:1] O=C(NCC[*:1])C(=O)Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(Cl)c1
O=C(NCCCn1ccnc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 Clc1cccc(c1)[*:1] O=C(NCCCn1ccnc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
O=C(NCCCn1ccnc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 c1cn(cn1)CC[*:1] O=C(NC[*:1])C(=O)Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(Cl)c1
O=C(NCCCn1ccnc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 c1cn(cn1)CCC[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(Cl)c1)C(=O)N[*:1]
O=C(NCCCn1ccnc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 c1cn(cn1)[*:1] O=C(NCCC[*:1])C(=O)Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(Cl)c1
CC(C)[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1ccnc(N)c1 CC(C)[*:1] CS(=O)(=O)N1C[C@@H]([C@H](C1)NC(=O)c1ccnc(N)c1)[*:1]
CC(C)[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1ccnc(N)c1 Nc1cc(ccn1)[*:1] CC(C)[C@H]1CN(C[C@@H]1NC(=O)[*:1])S(C)(=O)=O
CS(=O)(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 CS(=O)(=O)[*:1] Clc1cc(Cl)c2nc(cn2c1)C[*:1]
CS(=O)(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 CS(=O)(=O)C[*:1] Clc1cc(Cl)c2nc(cn2c1)[*:1]
C[C@H](CCCO)[NH2+]Cc1cccc(-c2ccccc2)c1 OCCC[*:1] C[C@H]([NH2+]Cc1cccc(c1)-c1ccccc1)[*:1]
C[C@H](CCCO)[NH2+]Cc1cccc(-c2ccccc2)c1 OCC[*:1] C[C@H](C[*:1])[NH2+]Cc1cccc(c1)-c1ccccc1
C[C@H](CCCO)[NH2+]Cc1cccc(-c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H](CCCO)[NH2+]Cc1cccc(c1)[*:1]
CC(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 CC(C)[*:1] O=C(c1c[nH]c2cc(ccc12)[N+](=O)[O-])[*:1]
CC(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 O=[N+]([O-])[*:1] CC(C)C(=O)c1c[nH]c2cc(ccc12)[*:1]
CC(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 CC(C)C(=O)[*:1] O=[N+]([O-])c1ccc2c(c[nH]c2c1)[*:1]
C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)NC1CC1 C1CC1[*:1] C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)N[*:1]
C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@H](OC(=O)c1cc2ccccc2o1)[*:1]
Cn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)NC1CCCCC1 Clc1ccccc1[*:1] Cn1c(CC(=O)N[*:1])nnc1SCC(=O)NC1CCCCC1
Cn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] Cn1c(CC(=O)Nc2ccccc2Cl)nnc1SC[*:1]
Cn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)N[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2)c1cccs1 c1csc(c1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2)c1cccs1 O=[N+]([O-])[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)c1ccccc1[*:1])c1cccs1
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2)c1cccs1 O=[N+]([O-])c1ccccc1[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1])c1cccs1
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2)c1cccs1 O=C(N[*:1])c1cccs1 O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2nc(sc2C1)[*:1]
COCC[NH2+]CCOc1ccc(F)cc1 COCC[*:1] Fc1ccc(cc1)OCC[NH2+][*:1]
COCC[NH2+]CCOc1ccc(F)cc1 COC[*:1] Fc1ccc(cc1)OCC[NH2+]C[*:1]
COCC1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 Fc1ccc(cc1)[*:1] COCC1CCN(CC1)C(=O)c1nn(cc1[O-])[*:1]
COCC1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 COC[*:1] O=C(c1nn(cc1[O-])-c1ccc(F)cc1)N1CCC(CC1)[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)CCSc2ccccc2Cl)n1 Cc1cc(C)n(n1)[*:1] O=C(CCSc1ccccc1Cl)NNC(=O)C[*:1]
Cc1cc(C)n(CC(=O)NNC(=O)CCSc2ccccc2Cl)n1 Clc1ccccc1S[*:1] Cc1cc(C)n(CC(=O)NNC(=O)CC[*:1])n1
Cc1cc(C)n(CC(=O)NNC(=O)CCSc2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1cc(C)n(CC(=O)NNC(=O)CCS[*:1])n1
Cc1cc(C)n(CC(=O)NNC(=O)CCSc2ccccc2Cl)n1 Cc1cc(C)n(C[*:1])n1 O=C(CCSc1ccccc1Cl)NNC(=O)[*:1]
CC(=O)NCCNC(=O)c1ccc(C)nc1C CC(=O)N[*:1] Cc1ccc(C(=O)NCC[*:1])c(C)n1
CC(=O)NCCNC(=O)c1ccc(C)nc1C CC(=O)NC[*:1] Cc1ccc(C(=O)NC[*:1])c(C)n1
CC[NH2+][C@H](C)c1cc(Br)ccc1OC[C@@H]1CN(C)CCO1 CN1CCO[C@@H](C1)[*:1] CC[NH2+][C@H](C)c1cc(Br)ccc1OC[*:1]
CC(=O)O[C@@H](C)c1nc2ccc(C(=O)[O-])cc2[nH]1 CC(=O)O[*:1] C[C@@H](c1nc2ccc(cc2[nH]1)C(=O)[O-])[*:1]
CC(=O)O[C@@H](C)c1nc2ccc(C(=O)[O-])cc2[nH]1 CC(=O)O[C@@H](C)[*:1] O=C([O-])c1ccc2nc([nH]c2c1)[*:1]
CC(=O)O[C@@H](C)c1nc2ccc(C(=O)[O-])cc2[nH]1 O=C([O-])[*:1] CC(=O)O[C@@H](C)c1nc2ccc(cc2[nH]1)[*:1]
CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C)c1C Clc1ccccc1[*:1] CCCn1c(C)cc(C(=O)CSc2nnc(n2C)[*:1])c1C
CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C)c1C CCC[*:1] Cc1cc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C)c(C)n1[*:1]
CCOc1ccc(OCc2cccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)c2)cc1 FC(F)[*:1] CCOc1ccc(cc1)OCc1cccc(c1)C(=O)N1N=C(C[C@]1(O)C(F)F)[*:1]
CCOc1ccc(OCc2cccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)c2)cc1 FC(F)[*:1] CCOc1ccc(cc1)OCc1cccc(c1)C(=O)N1N=C(C[C@@]1(O)[*:1])C(F)F
CCOc1ccc(OCc2cccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)c2)cc1 CCO[*:1] O=C(c1cccc(c1)COc1ccc(cc1)[*:1])N1N=C(C[C@]1(O)C(F)F)C(F)F
CCOc1ccc(OCc2cccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)c2)cc1 CCOc1ccc(cc1)[*:1] O=C(c1cccc(c1)CO[*:1])N1N=C(C[C@]1(O)C(F)F)C(F)F
CCOc1ccc(OCc2cccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)c2)cc1 CCOc1ccc(cc1)O[*:1] O=C(c1cccc(c1)C[*:1])N1N=C(C[C@]1(O)C(F)F)C(F)F
C[C@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)N1CCN(CC1)C(=O)c1cccc(Cl)c1)[*:1]
C[C@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)n1cncn1 Clc1cccc(c1)[*:1] C[C@H](C(=O)N1CCN(CC1)C(=O)[*:1])n1cncn1
COC(=O)C1CN(C(=O)OC(C)(C)C)C1 COC(=O)[*:1] CC(C)(C)OC(=O)N1CC(C1)[*:1]
COC(=O)C1CN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] COC(=O)C1CN(C1)C(=O)O[*:1]
COc1cc(CN2CCN(C(=O)c3cn4ccc(C)cc4n3)CC2)cc(OC)c1OC Cc1ccn2cc(nc2c1)[*:1] COc1cc(cc(OC)c1OC)CN1CCN(CC1)C(=O)[*:1]
CC[C@@H](NC(=O)c1cccnc1)c1ccccc1 c1cncc(c1)[*:1] CC[C@@H](NC(=O)[*:1])c1ccccc1
CC[C@@H](NC(=O)c1cccnc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1cccnc1)[*:1]
CSC[C@@H](C)OC(=O)/C=C/c1ccnc(Cl)c1 CSC[C@@H](C)[*:1] O=C(/C=C/c1ccnc(Cl)c1)O[*:1]
CSC[C@@H](C)OC(=O)/C=C/c1ccnc(Cl)c1 CSC[*:1] C[C@@H](OC(=O)/C=C/c1ccnc(Cl)c1)[*:1]
[NH3+]C[C@@H]1CC[C@@H](c2nc(Cc3ccncc3)no2)O1 c1cc(ccn1)[*:1] [NH3+]C[C@@H]1CC[C@H](O1)c1nc(C[*:1])no1
CCOC(=O)CCNC(=O)C(=O)Nc1cc(F)ccc1Cl CCOC(=O)C[*:1] O=C(NC[*:1])C(=O)Nc1cc(F)ccc1Cl
CCOC(=O)CCNC(=O)C(=O)Nc1cc(F)ccc1Cl CCOC(=O)[*:1] O=C(NCC[*:1])C(=O)Nc1cc(F)ccc1Cl
CCOC(=O)CCNC(=O)C(=O)Nc1cc(F)ccc1Cl CCOC(=O)CC[*:1] O=C(Nc1cc(F)ccc1Cl)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)CCNC(=O)c1cccs1 c1csc(c1)[*:1] Cc1cccc(C)c1NC(=O)CCNC(=O)[*:1]
O=C([O-])/C=C/c1ccc(-c2ccc(F)cc2)o1 O=C([O-])[*:1] Fc1ccc(cc1)-c1ccc(C=C[*:1])o1
O=C([O-])/C=C/c1ccc(-c2ccc(F)cc2)o1 O=C([O-])C=C[*:1] Fc1ccc(cc1)-c1ccc(o1)[*:1]
COc1ccccc1NC(=O)/[NH+]=C1\N=N[C@H](c2ccc(C)cc2)S1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)/[NH+]=C1\N=N[C@H](S1)[*:1]
COc1ccccc1NC(=O)/[NH+]=C1\N=N[C@H](c2ccc(C)cc2)S1 COc1ccccc1[*:1] Cc1ccc(cc1)[C@H]1N=N/C(=[NH+]\C(=O)N[*:1])S1
Cc1ccc(N(C)S(=O)(=O)C2=CC3=C4CCCCC4=N[C@H]3C=C2)cc1 Cc1ccc(cc1)[*:1] CN(S(=O)(=O)C1C=C[C@@H]2N=C3CCCCC3=C2C=1)[*:1]
Cc1ccc2c(c1)=[NH+][C@@H](SCC(=O)Nc1cccc(F)c1)[NH+]=2 Fc1cccc(c1)[*:1] Cc1ccc2=[NH+][C@@H]([NH+]=c2c1)SCC(=O)N[*:1]
CCNC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCc2ccccc2)C[C@@H]1OC CCNC(=O)N[*:1] CO[C@H]1CN(C[C@H]1[*:1])[C@@H](C)C(=O)NCc1ccccc1
CCNC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCc2ccccc2)C[C@@H]1OC c1ccc(cc1)C[*:1] CCNC(=O)N[C@@H]1CN(C[C@@H]1OC)[C@@H](C)C(=O)N[*:1]
CCNC(=O)N[C@@H]1CN([C@@H](C)C(=O)NCc2ccccc2)C[C@@H]1OC c1ccc(cc1)[*:1] CCNC(=O)N[C@@H]1CN(C[C@@H]1OC)[C@@H](C)C(=O)NC[*:1]
Cc1n[nH]c(=S)n1CCNC(=O)CC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1n[nH]c(=S)n1CCNC(=O)CC(C)(C)[*:1]
Cc1n[nH]c(=S)n1CCNC(=O)CC(C)(C)c1ccccc1 Cc1n[nH]c(=S)n1[*:1] CC(C)(CC(=O)NCC[*:1])c1ccccc1
COc1ccc(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)/C(C#N)=C/c1c[nH]nc1[*:1]
COc1ccccc1-c1nnc(S[C@H](C)C(=O)N2CCc3ccccc32)o1 COc1ccccc1[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)N1CCc2ccccc21
C[NH+](C)[C@H](C[NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](C[NH2+]CC(=O)Nc1ccc2CCCc2c1)[*:1]
COC[C@@H]1CCCN(C(=O)N[C@H](C)c2cnn(C)c2)C1 COC[*:1] C[C@@H](NC(=O)N1CCC[C@H](C1)[*:1])c1cnn(C)c1
COC[C@@H]1CCCN(C(=O)N[C@H](C)c2cnn(C)c2)C1 Cn1cc(cn1)[*:1] COC[C@@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
O=C(CNC(=O)OCC(F)(F)F)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CNC(=O)OCC(F)(F)F)N[C@@H]1C[C@H]1[*:1]
O=C(CNC(=O)OCC(F)(F)F)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 FC(F)(F)[*:1] O=C(CNC(=O)OC[*:1])N[C@@H]1C[C@@H]1c1cccc(Cl)c1
O=C(CNC(=O)OCC(F)(F)F)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 FC(F)(F)C[*:1] O=C(CNC(=O)O[*:1])N[C@@H]1C[C@@H]1c1cccc(Cl)c1
CCCn1c(CN2CCC(O)(C(=O)OCC)CC2)nc2ccccc21 CCC[*:1] CCOC(=O)C1(O)CCN(CC1)Cc1nc2ccccc2n1[*:1]
CCCn1c(CN2CCC(O)(C(=O)OCC)CC2)nc2ccccc21 CCOC(=O)[*:1] CCCn1c(CN2CCC(O)(CC2)[*:1])nc2ccccc21
CCc1[nH+]ccn1[C@@H]1CC[C@](NC(C)C)(C(=O)OC)C1 CC(C)[*:1] CCc1[nH+]ccn1[C@@H]1CC[C@](C1)(N[*:1])C(=O)OC
CCc1[nH+]ccn1[C@@H]1CC[C@](NC(C)C)(C(=O)OC)C1 COC(=O)[*:1] CCc1[nH+]ccn1[C@@H]1CC[C@@](C1)(NC(C)C)[*:1]
CCc1[nH+]ccn1[C@@H]1CC[C@](NC(C)C)(C(=O)OC)C1 CC(C)N[*:1] CCc1[nH+]ccn1[C@@H]1CC[C@@](C1)(C(=O)OC)[*:1]
C=C(C)CN1CC[C@H]([NH3+])[C@H](C)C1 C=C(C)C[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])[*:1]
C=C(C)CN1CC[C@H]([NH3+])[C@H](C)C1 C=C(C)[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])C[*:1]
C[C@@H](NC(=O)NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)NC[C@@H](O)COc1ccc(F)cc1)[*:1]
C[C@@H](NC(=O)NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1Cl Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)NC[C@@H](O)CO[*:1])c1ccccc1Cl
C[C@@H](NC(=O)NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1Cl Fc1ccc(cc1)O[*:1] C[C@@H](NC(=O)NC[C@@H](O)C[*:1])c1ccccc1Cl
O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 O=C(Nc1ccccc1)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
O=C([O-])c1occc1Cn1ccc2ccc([N+](=O)[O-])cc21 O=C([O-])[*:1] O=[N+]([O-])c1ccc2ccn(Cc3ccoc3[*:1])c2c1
O=C([O-])c1occc1Cn1ccc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C([O-])c1occc1Cn1ccc2ccc(cc21)[*:1]
CCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1cccc(C)c1 c1csc(c1)[*:1] CCOC(=O)c1cc(nc2c1c(C)nn2-c1cccc(C)c1)[*:1]
CCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1cccc(C)c1 Cc1cccc(c1)[*:1] CCOC(=O)c1cc(nc2c1c(C)nn2[*:1])-c1cccs1
CCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1cccc(C)c1 CCOC(=O)[*:1] Cc1cccc(c1)-n1nc(C)c2c(cc(nc21)-c1cccs1)[*:1]
C[C@@H](c1nc([C@H](C)CN(C)C(=O)OC(C)(C)C)no1)[NH+]1CCSCC1 CC(C)(C)[*:1] C[C@@H](c1nc(no1)[C@H](C)CN(C)C(=O)O[*:1])[NH+]1CCSCC1
O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(C[C@H]1SC(=NC1=O)N1CCCCC1)Nc1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
CCCc1nc(C(=O)NCCc2ccccn2)n[nH]1 c1ccc(nc1)[*:1] CCCc1nc(n[nH]1)C(=O)NCC[*:1]
CCCc1nc(C(=O)NCCc2ccccn2)n[nH]1 CCC[*:1] O=C(NCCc1ccccn1)c1n[nH]c(n1)[*:1]
Nc1ccc(Cl)cc1SC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] Nc1ccc(Cl)cc1SC[*:1]
O=C1CC[NH+](Cc2ccc(OCc3ccccc3)c(Br)c2)CCN1 c1ccc(cc1)[*:1] O=C1CC[NH+](CCN1)Cc1ccc(OC[*:1])c(Br)c1
O=C1CC[NH+](Cc2ccc(OCc3ccccc3)c(Br)c2)CCN1 c1ccc(cc1)C[*:1] O=C1CC[NH+](CCN1)Cc1ccc(O[*:1])c(Br)c1
O=C1CC[NH+](Cc2ccc(OCc3ccccc3)c(Br)c2)CCN1 c1ccc(cc1)CO[*:1] O=C1CC[NH+](CCN1)Cc1ccc(c(Br)c1)[*:1]
Cc1cc(-c2cnc(C)nc2C2CCC(CNC(=O)C3CC3)CC2)on1 Cc1cc(on1)[*:1] Cc1ncc(c(n1)C1CCC(CC1)CNC(=O)C1CC1)[*:1]
Cc1cc(-c2cnc(C)nc2C2CCC(CNC(=O)C3CC3)CC2)on1 C1CC1[*:1] Cc1cc(on1)-c1cnc(C)nc1C1CCC(CC1)CNC(=O)[*:1]
Cc1cc(-c2cnc(C)nc2C2CCC(CNC(=O)C3CC3)CC2)on1 O=C(NC[*:1])C1CC1 Cc1cc(on1)-c1cnc(C)nc1C1CCC(CC1)[*:1]
Cc1cc(-c2cnc(C)nc2C2CCC(CNC(=O)C3CC3)CC2)on1 O=C(N[*:1])C1CC1 Cc1cc(on1)-c1cnc(C)nc1C1CCC(CC1)C[*:1]
CCCc1noc(CS(=O)(=O)Cc2ccccc2)n1 CCC[*:1] O=S(=O)(Cc1ccccc1)Cc1nc(no1)[*:1]
CCCc1noc(CS(=O)(=O)Cc2ccccc2)n1 c1ccc(cc1)[*:1] CCCc1noc(CS(=O)(=O)C[*:1])n1
N#C[C@@H](C(=O)CCCc1ccc(Cl)cc1)C(=O)NC1CCCCC1 Clc1ccc(cc1)C[*:1] N#C[C@@H](C(=O)CC[*:1])C(=O)NC1CCCCC1
N#C[C@@H](C(=O)CCCc1ccc(Cl)cc1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] N#C[C@@H](C(=O)CCCc1ccc(Cl)cc1)C(=O)N[*:1]
N#C[C@@H](C(=O)CCCc1ccc(Cl)cc1)C(=O)NC1CCCCC1 Clc1ccc(cc1)[*:1] N#C[C@@H](C(=O)CCC[*:1])C(=O)NC1CCCCC1
CCOc1ccc(NC(=S)NC(=O)c2cccnc2)c([N+](=O)[O-])c1 CCO[*:1] O=C(NC(=S)Nc1ccc(cc1[N+](=O)[O-])[*:1])c1cccnc1
CCOc1ccc(NC(=S)NC(=O)c2cccnc2)c([N+](=O)[O-])c1 c1cncc(c1)[*:1] CCOc1ccc(NC(=S)NC(=O)[*:1])c(c1)[N+](=O)[O-]
CCOc1ccc(NC(=S)NC(=O)c2cccnc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOc1ccc(NC(=S)NC(=O)c2cccnc2)c(c1)[*:1]
CC(C)c1ccccc1OCC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 NC(=O)[*:1] CC(C)c1ccccc1OCC(=O)N1CCC[C@H](C1)c1nc2ccc(F)cc2cc1[*:1]
CC(C)c1ccccc1OCC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 CC(C)c1ccccc1[*:1] NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C1)C(=O)CO[*:1]
CC(C)c1ccccc1OCC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 CC(C)[*:1] NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C1)C(=O)COc1ccccc1[*:1]
CC(C)c1ccccc1OCC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 CC(C)c1ccccc1O[*:1] NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C1)C(=O)C[*:1]
CC(C)c1ccccc1OCC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 CC(C)c1ccccc1OC[*:1] NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C1)C(=O)[*:1]
C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1N(C)C CN(C)[*:1] C[C@@H]([NH2+]CCn1cc(cn1)[N+](=O)[O-])c1ccc(F)cc1[*:1]
C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1N(C)C O=[N+]([O-])[*:1] C[C@@H]([NH2+]CCn1cc(cn1)[*:1])c1ccc(F)cc1N(C)C
CC1(C)CN(C(=O)NCC2CCC(C(=O)[O-])CC2)CCO1 O=C([O-])[*:1] CC1(C)CN(CCO1)C(=O)NCC1CCC(CC1)[*:1]
C=CCN(C(=O)CCn1ccccc1=O)c1ccccc1 C=CC[*:1] O=C(CCn1ccccc1=O)N(c1ccccc1)[*:1]
C=CCN(C(=O)CCn1ccccc1=O)c1ccccc1 O=c1ccccn1[*:1] C=CCN(C(=O)CC[*:1])c1ccccc1
C=CCN(C(=O)CCn1ccccc1=O)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)CCn1ccccc1=O)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)S[*:1] Cc1ccc(cc1C(=O)NNC(=O)C[*:1])S(=O)(=O)N(C)C
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] Cc1ccc(cc1C(=O)NNC(=O)CS[*:1])S(=O)(=O)N(C)C
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl)[*:1]
Clc1cccc2c1SCC[C@@H]2NCCc1n[nH]c(-c2ccco2)n1 c1coc(c1)[*:1] Clc1cccc2c1SCC[C@@H]2NCCc1n[nH]c(n1)[*:1]
O=C(Cc1cccc2ccccc12)NCc1ccccc1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(Cc1cccc2ccccc12)NCc1ccccc1[*:1]
O=C(Cc1cccc2ccccc12)NCc1ccccc1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(Cc1cccc2ccccc12)NCc1ccccc1C[*:1]
COc1ccc(Br)c(NC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] COc1ccc(Br)c(c1)NC(=O)N[C@@H](C)[*:1]
O=C(NCCc1cccs1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(NCCc1cccs1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(NCCc1cccs1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1csc(c1)[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(CCc2ccccc2)C1
O=C(NCCc1cccs1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1csc(c1)CC[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCc2ccccc2)C1
O=C(NCCc1cccs1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCc1cccs1)[C@H]1CC(=O)N(CC[*:1])C1
O=C(NCCc1cccs1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(NCCc1cccs1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCc1cccs1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1csc(c1)C[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(CCc2ccccc2)C1
NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 NC(=O)[*:1] O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C1)C[*:1]
NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 NC(=O)C[*:1] O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C1)[*:1]
COc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)c(OC)c1 O=C1CCCCN1[*:1] COc1ccc(C(=O)Nc2cccc(c2)[*:1])c(c1)OC
C(=N/Nc1nn2cnnc2c2ccccc12)\c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] C(=N/Nc1nn2cnnc2c2ccccc12)\c1ccc(cc1)[*:1]
C(=N/Nc1nn2cnnc2c2ccccc12)\c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] C(=N/Nc1nn2cnnc2c2ccccc12)\c1ccc(cc1)O[*:1]
C(=N/Nc1nn2cnnc2c2ccccc12)\c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] C(=N/Nc1nn2cnnc2c2ccccc12)\c1ccc(cc1)OC[*:1]
Cc1c(C(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)c2ccccc2n1C Oc1ccc(Br)cc1[*:1] Cc1c(C(=O)CSc2nnc(n2C)[*:1])c2ccccc2n1C
CCCc1cc(NC(=O)[C@H](C)NC(=O)c2ccoc2)n(C)n1 CCC[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)[C@H](C)NC(=O)c2ccoc2)n(C)n1 c1cc(co1)[*:1] CCCc1cc(NC(=O)[C@H](C)NC(=O)[*:1])n(C)n1
Cc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)OCC(F)(F)C(F)F FC(F)[*:1] Cc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)OCC(F)(F)[*:1]
Cc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)OCC(F)(F)C(F)F FC(F)C(F)(F)C[*:1] Cc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O[*:1]
Cc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)OCC(F)(F)C(F)F Cc1ccccc1[*:1] O=C(N[*:1])[C@H]1CCCC[C@H]1C(=O)OCC(F)(F)C(F)F
Cc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)OCC(F)(F)C(F)F FC(F)C(F)(F)[*:1] Cc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)OC[*:1]
CN(CCCc1[nH+]ccn1C)C(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1 c1cc(ccn1)[*:1] CN(CCCc1[nH+]ccn1C)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CN(CCCc1[nH+]ccn1C)C(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1 c1cc(ccn1)C[*:1] CN(CCCc1[nH+]ccn1C)C(=O)[C@H]1CC(=O)N(C1)[*:1]
COCc1cc(C(=O)N(c2cc(C)ccc2C)C(C)C)ccc1F COC[*:1] Cc1ccc(C)c(c1)N(C(=O)c1ccc(F)c(c1)[*:1])C(C)C
COCc1cc(C(=O)N(c2cc(C)ccc2C)C(C)C)ccc1F CC(C)[*:1] COCc1cc(ccc1F)C(=O)N(c1cc(C)ccc1C)[*:1]
COCc1cc(C(=O)N(c2cc(C)ccc2C)C(C)C)ccc1F Cc1ccc(C)c(c1)[*:1] COCc1cc(ccc1F)C(=O)N(C(C)C)[*:1]
O=C(CCn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)ccc1-n1cccn1 c1cnn(c1)[*:1] O=C(CCn1c(=O)oc2ccccc21)Nc1cc(ccc1[*:1])C(F)(F)F
O=C(CCn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)ccc1-n1cccn1 O=c1oc2ccccc2n1[*:1] O=C(CC[*:1])Nc1cc(ccc1-n1cccn1)C(F)(F)F
O=C(CCn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)ccc1-n1cccn1 FC(F)(F)[*:1] O=C(CCn1c(=O)oc2ccccc21)Nc1cc(ccc1-n1cccn1)[*:1]
COC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccc(Cl)cc1 COC(=O)[*:1] O=C1NC[C@H](c2ccc(Cl)cc2)[C@@H]1[*:1]
C/C(=N/Nc1nc(SCC(=O)Nc2nc3ccccc3s2)n[nH]1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CC(=NNc1nc(n[nH]1)SCC(=O)Nc1nc2ccccc2s1)[*:1]
C/C(=N/Nc1nc(SCC(=O)Nc2nc3ccccc3s2)n[nH]1)c1ccc2c(c1)OCO2 c1ccc2sc(nc2c1)[*:1] C/C(=N/Nc1nc(n[nH]1)SCC(=O)N[*:1])c1ccc2OCOc2c1
C=CCc1ccccc1OCC#CCNC(=O)c1cccs1 c1csc(c1)[*:1] C=CCc1ccccc1OCC#CCNC(=O)[*:1]
C=CCc1ccccc1OCC#CCNC(=O)c1cccs1 C=CC[*:1] O=C(NCC#CCOc1ccccc1[*:1])c1cccs1
CCc1c(C(=O)N(C)C[C@H](C)C(=O)NC)cnn1-c1ccccc1 c1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)N(C)C[C@H](C)C(=O)NC
CCc1c(C(=O)N(C)C[C@H](C)C(=O)NC)cnn1-c1ccccc1 CNC(=O)[*:1] CCc1c(cnn1-c1ccccc1)C(=O)N(C)C[C@H](C)[*:1]
O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H]1c1nc(-c2ccccn2)no1 c1cc2OCOc2cc1[*:1] O=C(C[*:1])N1CCC[C@H]1c1nc(no1)-c1ccccn1
O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H]1c1nc(-c2ccccn2)no1 c1ccc(nc1)[*:1] O=C(Cc1ccc2OCOc2c1)N1CCC[C@H]1c1nc(no1)[*:1]
O=C(c1cnc2ccccc2c1S(=O)(=O)c1cccc(F)c1)N1CCCCC1 Fc1cccc(c1)[*:1] O=C(c1cnc2ccccc2c1S(=O)(=O)[*:1])N1CCCCC1
O=C(c1cnc2ccccc2c1S(=O)(=O)c1cccc(F)c1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=S(=O)(c1cccc(F)c1)c1c(cnc2ccccc12)[*:1]
Cc1cc(C)n(Cc2cccc(NC(=O)[C@H](C)NS(C)(=O)=O)c2)n1 CS(=O)(=O)N[*:1] Cc1cc(C)n(Cc2cccc(c2)NC(=O)[C@H](C)[*:1])n1
Cc1cc(C)n(Cc2cccc(NC(=O)[C@H](C)NS(C)(=O)=O)c2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](NS(C)(=O)=O)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)n(Cc2cccc(NC(=O)[C@H](C)NS(C)(=O)=O)c2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](NS(C)(=O)=O)C(=O)Nc1cccc(c1)C[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCc1ccncc1C C#CC[*:1] Cc1cnccc1CCNC(=O)C(=O)Nc1ccc(F)cc1O[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCc1ccncc1C C#CCO[*:1] Cc1cnccc1CCNC(=O)C(=O)Nc1ccc(F)cc1[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCc1ccncc1C Cc1cnccc1[*:1] C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCc1ccncc1C Cc1cnccc1C[*:1] C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[*:1]
N#C[C@@H](C(=O)CCCC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 Fc1ccc(cc1)[*:1] N#C[C@@H](C(=O)CCCC(=O)[*:1])c1nc2ccccc2[nH]1
O=C(Nc1ccncc1)c1ccc(-c2ccccc2Cl)o1 Clc1ccccc1[*:1] O=C(Nc1ccncc1)c1ccc(o1)[*:1]
O=C(Nc1ccncc1)c1ccc(-c2ccccc2Cl)o1 c1cc(ccn1)[*:1] O=C(N[*:1])c1ccc(o1)-c1ccccc1Cl
COc1ccc(C(=O)N2CCN(C(=O)[C@H]3C=C(C4CC4)N=N3)CC2)cc1OC C1CC1[*:1] COc1ccc(cc1OC)C(=O)N1CCN(CC1)C(=O)[C@H]1C=C(N=N1)[*:1]
c1ccc(-c2nc(Cn3ccnc3)nc3ccccc23)cc1 c1cn(cn1)[*:1] c1ccc(cc1)-c1nc(C[*:1])nc2ccccc12
c1ccc(-c2nc(Cn3ccnc3)nc3ccccc23)cc1 c1ccc(cc1)[*:1] c1ccc2c(nc(Cn3ccnc3)nc2c1)[*:1]
c1ccc(-c2nc(Cn3ccnc3)nc3ccccc23)cc1 c1cn(cn1)C[*:1] c1ccc(cc1)-c1nc(nc2ccccc12)[*:1]
CO/N=C/c1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1 c1cn(cn1)[*:1] CO/N=C/c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CO/N=C/c1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1 CON=C[*:1] O=C(Nc1ccc(cc1)-n1ccnc1)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CCOC2CCOCC2)cc1F C1CC(CCO1)[*:1] Cc1ccc(cc1F)NC(=O)CCO[*:1]
N#Cc1c(Cl)nsc1N1CCC(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] N#Cc1c(Cl)nsc1N1CCC(CC1)[*:1]
CCC(CC)N1C(=O)CNC(=O)[C@@H]1[C@@H](C)CC CC[C@H](C)[*:1] CCC(CC)N1C(=O)CNC(=O)[C@H]1[*:1]
CCC(CC)N1C(=O)CNC(=O)[C@@H]1[C@@H](C)CC CCC(CC)[*:1] CC[C@H](C)[C@H]1C(=O)NCC(=O)N1[*:1]
CCN(CCO)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 OCC[*:1] CCN(C(=O)Nc1cccc(c1)OCc1cccc(F)c1)[*:1]
CCN(CCO)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CCN(CCO)C(=O)Nc1cccc(c1)OC[*:1]
CCN(CCO)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 Fc1cccc(c1)C[*:1] CCN(CCO)C(=O)Nc1cccc(c1)O[*:1]
FC(F)(F)Oc1ccc(CSc2ccc(Cl)nn2)cc1 FC(F)(F)O[*:1] Clc1ccc(nn1)SCc1ccc(cc1)[*:1]
FC(F)(F)Oc1ccc(CSc2ccc(Cl)nn2)cc1 FC(F)(F)[*:1] Clc1ccc(nn1)SCc1ccc(cc1)O[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)c2ccc(-n3cccc3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC[C@H]1CCCCN1S(=O)(=O)[*:1])c1ccc(cc1)-n1cccc1
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)c2ccc(-n3cccc3)cc2)cc1 c1ccn(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)c1ccc(cc1)[*:1]
C[C@H]1Cc2cc(S(=O)(=O)N3CC[NH+](C4CCCC4)CC3)ccc2N1C(=O)C1CCC1 C1CC(C1)[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)[*:1])S(=O)(=O)N1CC[NH+](CC1)C1CCCC1
Cc1ccc(C(=O)N2CC(OCc3cccc4ccccc34)C2)cn1 Cc1ccc(cn1)[*:1] O=C(N1CC(C1)OCc1cccc2ccccc12)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N[C@H]1CCC[C@@H]1CO C[C@@H](O)C[*:1] CC(C)(CNC(=O)N[C@H]1CCC[C@@H]1CO)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N[C@H]1CCC[C@@H]1CO C[C@@H](O)[*:1] CC(C)(CNC(=O)N[C@H]1CCC[C@@H]1CO)C[*:1]
Cn1c(-c2ccccc2)c(-c2c(Cl)c(=O)c2=O)c2ccccc21 O=c1c(Cl)c(c1=O)[*:1] Cn1c(-c2ccccc2)c(c2ccccc21)[*:1]
Cn1c(-c2ccccc2)c(-c2c(Cl)c(=O)c2=O)c2ccccc21 c1ccc(cc1)[*:1] Cn1c(c(-c2c(Cl)c(=O)c2=O)c2ccccc21)[*:1]
CCCCn1c(SCC(=O)NC(C)C)nc2c(sc3ncccc32)c1=O CC(C)NC(=O)C[*:1] CCCCn1c(nc2c(sc3ncccc32)c1=O)S[*:1]
CCCCn1c(SCC(=O)NC(C)C)nc2c(sc3ncccc32)c1=O CCCC[*:1] CC(C)NC(=O)CSc1nc2c(sc3ncccc32)c(=O)n1[*:1]
CCCCn1c(SCC(=O)NC(C)C)nc2c(sc3ncccc32)c1=O CC(C)NC(=O)CS[*:1] CCCCn1c(nc2c(sc3ncccc32)c1=O)[*:1]
CCCCn1c(SCC(=O)NC(C)C)nc2c(sc3ncccc32)c1=O CC(C)NC(=O)[*:1] CCCCn1c(nc2c(sc3ncccc32)c1=O)SC[*:1]
CCCCn1c(SCC(=O)NC(C)C)nc2c(sc3ncccc32)c1=O CCC[*:1] CC(C)NC(=O)CSc1nc2c(sc3ncccc32)c(=O)n1C[*:1]
CCCCn1c(SCC(=O)NC(C)C)nc2c(sc3ncccc32)c1=O CC(C)[*:1] CCCCn1c(nc2c(sc3ncccc32)c1=O)SCC(=O)N[*:1]
C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 O=[N+]([O-])[*:1] C[C@H](C[NH2+]Cc1cccc(c1)[*:1])N1CCc2ccccc2C1
CS(=O)(=O)NCc1ccc(C(=O)N2CCc3ccc(Cl)cc32)o1 CS(=O)(=O)N[*:1] O=C(c1ccc(C[*:1])o1)N1CCc2ccc(Cl)cc21
CS(=O)(=O)NCc1ccc(C(=O)N2CCc3ccc(Cl)cc32)o1 CS(=O)(=O)NC[*:1] O=C(c1ccc(o1)[*:1])N1CCc2ccc(Cl)cc21
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])C(=O)NC1CC1
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1cc2ccccc2o1 O=C(NC1CC1)[*:1] Cc1ccc(cc1NC(=O)NCc1cc2ccccc2o1)[*:1]
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1cc2ccccc2o1 C1CC1[*:1] Cc1ccc(cc1NC(=O)NCc1cc2ccccc2o1)C(=O)N[*:1]
CC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)C1CCCCC1 C1CCC(CC1)[*:1] CC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)[*:1]
CC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)C1CCCCC1 CC(C)(C)[*:1] CC[C@@H]([NH2+]CCS(=O)(=O)[*:1])C1CCCCC1
C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCC(C)(C)[NH2+][*:1]
C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
O=C([O-])CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 O=C([O-])CCNC(=O)[*:1] O=C(N/C(=C\c1ccccc1)[*:1])c1ccccc1
O=C([O-])CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CCNC(=O)C(=C[*:1])NC(=O)c1ccccc1
O=C([O-])CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 O=C([O-])[*:1] O=C(NCC[*:1])/C(=C/c1ccccc1)NC(=O)c1ccccc1
O=C([O-])CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 O=C([O-])CC[*:1] O=C(N[*:1])/C(=C/c1ccccc1)NC(=O)c1ccccc1
O=C([O-])CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 O=C([O-])C[*:1] O=C(NC[*:1])/C(=C/c1ccccc1)NC(=O)c1ccccc1
O=C([O-])CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CCNC(=O)/C(=C/c1ccccc1)NC(=O)[*:1]
Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] Cc1nn(-c2ccc(F)cc2)c(c1C(=O)N[*:1])-n1cccc1
Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] Cc1nn(c(c1C(=O)Nc1ccc2OCCOc2c1)-n1cccc1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1ccc2c(c1)OCCO2 c1ccn(c1)[*:1] Cc1nn(-c2ccc(F)cc2)c(c1C(=O)Nc1ccc2OCCOc2c1)[*:1]
CCC[NH2+][C@@H](c1ccc(CC)cc1)[C@H]1CCO[C@@H]1C CCC[*:1] CCc1ccc(cc1)[C@H]([NH2+][*:1])[C@H]1CCO[C@@H]1C
CS(=O)(=O)c1ccc([C@H](O)CN(Cc2ccccc2)C2CC2)cc1 CS(=O)(=O)[*:1] O[C@H](CN(Cc1ccccc1)C1CC1)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc([C@H](O)CN(Cc2ccccc2)C2CC2)cc1 C1CC1[*:1] CS(=O)(=O)c1ccc(cc1)[C@H](O)CN(Cc1ccccc1)[*:1]
CS(=O)(=O)c1ccc([C@H](O)CN(Cc2ccccc2)C2CC2)cc1 c1ccc(cc1)C[*:1] CS(=O)(=O)c1ccc(cc1)[C@H](O)CN(C1CC1)[*:1]
CS(=O)(=O)c1ccc([C@H](O)CN(Cc2ccccc2)C2CC2)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)[C@H](O)CN(C[*:1])C1CC1
CC1=CC(C)=NC(=O)[C@@H]1CNC(=O)C1=C(C)O[C@@H](n2cccc2)[C@@H]1C#N c1ccn(c1)[*:1] CC1=CC(C)=NC(=O)[C@@H]1CNC(=O)C1=C(C)O[C@@H]([C@@H]1C#N)[*:1]
Cc1csc(N2CCC[NH+](CC(=O)Nc3ccccc3-c3ccccc3)CC2)n1 Cc1csc(n1)[*:1] O=C(C[NH+]1CCCN(CC1)[*:1])Nc1ccccc1-c1ccccc1
Cc1csc(N2CCC[NH+](CC(=O)Nc3ccccc3-c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N1CCC[NH+](CC1)CC(=O)Nc1ccccc1[*:1]
CS(=O)(=O)NCc1ccc(NC(=O)C2(O)Cc3ccccc3C2)cc1 CS(=O)(=O)NC[*:1] O=C(Nc1ccc(cc1)[*:1])C1(O)Cc2ccccc2C1
CS(=O)(=O)NCc1ccc(NC(=O)C2(O)Cc3ccccc3C2)cc1 CS(=O)(=O)N[*:1] O=C(Nc1ccc(cc1)C[*:1])C1(O)Cc2ccccc2C1
CC(=O)N[C@@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 CC(=O)N[*:1] C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[*:1]
CC(=O)N[C@@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 CC(=O)N[C@@H](C)[*:1] O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[*:1]
CC(=O)N[C@@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 Clc1cccc(c1)[*:1] CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1ocnc1CNC(=O)NNC(=O)COCc1ccccc1 c1ccc(cc1)[*:1] Cc1ocnc1CNC(=O)NNC(=O)COC[*:1]
Cc1ocnc1CNC(=O)NNC(=O)COCc1ccccc1 Cc1ocnc1[*:1] O=C(COCc1ccccc1)NNC(=O)NC[*:1]
Cc1ocnc1CNC(=O)NNC(=O)COCc1ccccc1 c1ccc(cc1)C[*:1] Cc1ocnc1CNC(=O)NNC(=O)CO[*:1]
Cc1ocnc1CNC(=O)NNC(=O)COCc1ccccc1 Cc1ocnc1C[*:1] O=C(COCc1ccccc1)NNC(=O)N[*:1]
O=C1[NH+]=c2ccccc2=C[C@H]1CN(Cc1ccccc1)C(=O)c1ccncc1 c1ccc(cc1)C[*:1] O=C1[NH+]=c2ccccc2=C[C@H]1CN(C(=O)c1ccncc1)[*:1]
O=C1[NH+]=c2ccccc2=C[C@H]1CN(Cc1ccccc1)C(=O)c1ccncc1 c1ccc(cc1)[*:1] O=C1[NH+]=c2ccccc2=C[C@H]1CN(C[*:1])C(=O)c1ccncc1
O=C1[NH+]=c2ccccc2=C[C@H]1CN(Cc1ccccc1)C(=O)c1ccncc1 c1cc(ccn1)[*:1] O=C1[NH+]=c2ccccc2=C[C@H]1CN(Cc1ccccc1)C(=O)[*:1]
C[C@@H](Cc1ccsc1)NC(=O)N[C@@](C)(CO)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](Cc1ccsc1)NC(=O)N[C@@](C)(CO)[*:1]
C[C@@H](Cc1ccsc1)NC(=O)N[C@@](C)(CO)C1CCCCC1 c1cc(cs1)[*:1] C[C@@H](C[*:1])NC(=O)N[C@@](C)(CO)C1CCCCC1
C[C@@H](Cc1ccsc1)NC(=O)N[C@@](C)(CO)C1CCCCC1 c1cc(cs1)C[*:1] C[C@@H](NC(=O)N[C@@](C)(CO)C1CCCCC1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1cccs1 Clc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1[*:1])c1cccs1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1cccs1 c1csc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(Cl)cc2)N1Cc1cccnc1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1cccs1 c1cncc(c1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(Cl)cc1)c1cccs1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1cccs1 O=C(c1cccs1)[*:1] O=C1C([O-])=C([C@@H](c2ccc(Cl)cc2)N1Cc1cccnc1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1cccs1 c1cncc(c1)C[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc(Cl)cc1)[*:1])c1cccs1
CC[NH2+][C@@H](Cc1cc(Br)cs1)[C@]1(N(C)C)CCC[C@H](C)C1 Brc1csc(c1)C[*:1] CC[NH2+][C@@H]([C@@]1(CCC[C@H](C)C1)N(C)C)[*:1]
CC[NH2+][C@@H](Cc1cc(Br)cs1)[C@]1(N(C)C)CCC[C@H](C)C1 CN(C)[*:1] CC[NH2+][C@@H](Cc1cc(Br)cs1)[C@@]1(CCC[C@H](C)C1)[*:1]
CC[NH2+][C@@H](Cc1cc(Br)cs1)[C@]1(N(C)C)CCC[C@H](C)C1 Brc1csc(c1)[*:1] CC[NH2+][C@@H](C[*:1])[C@@]1(CCC[C@H](C)C1)N(C)C
Cc1ccc(-n2nc(C(=O)Oc3cccc(S(C)(=O)=O)c3)c3c2CCC3)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)c1cccc(c1)OC(=O)c1nn(c2CCCc12)[*:1]
Cc1ccc(-n2nc(C(=O)Oc3cccc(S(C)(=O)=O)c3)c3c2CCC3)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)-n1nc(C(=O)Oc2cccc(c2)[*:1])c2CCCc21
C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] C[C@H](Sc1nc(n[nH]1)[*:1])C(=O)Nc1ccc2OCOc2c1
CC(=O)Nc1ccc(C(=O)N2CCC(OCc3ccccc3C)CC2)cc1 CC(=O)N[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)N2CCC(OCc3ccccc3C)CC2)cc1 Cc1ccccc1CO[*:1] CC(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
CC(=O)Nc1ccc(C(=O)N2CCC(OCc3ccccc3C)CC2)cc1 Cc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)OC[*:1]
CC(=O)Nc1ccc(C(=O)N2CCC(OCc3ccccc3C)CC2)cc1 Cc1ccccc1C[*:1] CC(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)O[*:1]
CC(C)c1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)on1 C1CC1[*:1] CC(C)c1cc(on1)C(=O)Nc1ccc2nc(oc2c1)[*:1]
CC(C)c1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)on1 CC(C)[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)c1cc(no1)[*:1]
O=C(NCc1ccc(Cn2cncn2)cc1)N[C@@H]1C[C@H]2CCCc3cccc1c32 c1ncn(n1)[*:1] O=C(NCc1ccc(cc1)C[*:1])N[C@@H]1C[C@H]2CCCc3cccc1c32
O=C(NCc1ccc(Cn2cncn2)cc1)N[C@@H]1C[C@H]2CCCc3cccc1c32 c1ncn(C[*:1])n1 O=C(NCc1ccc(cc1)[*:1])N[C@@H]1C[C@H]2CCCc3cccc1c32
O=c1ccc2cc(S(=O)(=O)NCCc3ccccc3)ccc2[nH]1 c1ccc(cc1)[*:1] O=c1ccc2cc(ccc2[nH]1)S(=O)(=O)NCC[*:1]
O=c1ccc2cc(S(=O)(=O)NCCc3ccccc3)ccc2[nH]1 c1ccc(cc1)C[*:1] O=c1ccc2cc(ccc2[nH]1)S(=O)(=O)NC[*:1]
CCCCCNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 CCC[*:1] N#Cc1ccc(cc1)C[NH+]1CCC(CC1)C(=O)NCC[*:1]
CCCCCNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 CCCC[*:1] N#Cc1ccc(cc1)C[NH+]1CCC(CC1)C(=O)NC[*:1]
CCCCCNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 CCCCC[*:1] N#Cc1ccc(cc1)C[NH+]1CCC(CC1)C(=O)N[*:1]
Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H](C)c1nccs1 c1ccc(cc1)[*:1] Cc1ccsc1[C@H](C[*:1])N[C@@H](C)c1nccs1
Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H](C)c1nccs1 c1csc(n1)[*:1] Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H](C)[*:1]
Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H](C)c1nccs1 c1ccc(cc1)C[*:1] Cc1ccsc1[C@H](N[C@@H](C)c1nccs1)[*:1]
Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H](C)c1nccs1 Cc1ccsc1[*:1] C[C@H](N[C@@H](Cc1ccccc1)[*:1])c1nccs1
CS(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1 CS(=O)(=O)[*:1] Clc1cccc(c1)COc1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)C[*:1] Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)c(c1)O[*:1]
Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)CO[*:1] Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)c(c1)[*:1]
Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)c(OC[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)c(c1)OC[*:1]
O=C(Oc1ccc2cc(C(=O)NC[C@H]3CCCO3)c(=O)oc2c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)c1cc2ccc(cc2oc1=O)OC(=O)[*:1]
O=C(Oc1ccc2cc(C(=O)NC[C@H]3CCCO3)c(=O)oc2c1)c1ccccc1 O=C(O[*:1])c1ccccc1 O=C(NC[C@H]1CCCO1)c1cc2ccc(cc2oc1=O)[*:1]
O=C(NCc1ccc(Cl)nc1)Nc1nnc(C2CC2)s1 C1CC1[*:1] O=C(NCc1ccc(Cl)nc1)Nc1nnc(s1)[*:1]
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(C)(C)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(C)(C)[*:1]
COC(=O)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)cc1 O=C(NC1CC1)[*:1] COC(=O)c1ccc(/C=c2\sc(=C(C#N)[*:1])n(-c3ccccc3)c2=O)cc1
COC(=O)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)cc1 COC(=O)[*:1] N#C/C(C(=O)NC1CC1)=c1/s/c(=C\c2ccc(cc2)[*:1])c(=O)n1-c1ccccc1
COC(=O)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)cc1 C1CC1[*:1] COC(=O)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)N[*:1])n(-c3ccccc3)c2=O)cc1
COC(=O)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)cc1 COC(=O)c1ccc(cc1)[*:1] N#C/C(C(=O)NC1CC1)=c1/sc(=C[*:1])c(=O)n1-c1ccccc1
COC(=O)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)NC3CC3)n(c2=O)[*:1])cc1
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C#N)c1C N#CC(C#N)=C[*:1] Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2[*:1])c1C
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C#N)c1C Cc1cccc(O[*:1])c1C Cc1cccn2c(=O)c(C=C(C#N)C#N)c(nc12)[*:1]
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C#N)c1C Cc1cccc(c1C)[*:1] Cc1cccn2c(=O)c(C=C(C#N)C#N)c(nc12)O[*:1]
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncccc1C#N Fc1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1c1ncccc1C#N)[*:1]
COc1cccc(C[NH+]2CCC(Cc3ncncc3C(=O)Nc3ccc(F)cc3)CC2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(F)cc1)c1cncnc1CC1CC[NH+](CC1)C[*:1]
COc1cccc(C[NH+]2CCC(Cc3ncncc3C(=O)Nc3ccc(F)cc3)CC2)c1 COc1cccc(c1)C[*:1] O=C(Nc1ccc(F)cc1)c1cncnc1CC1CC[NH+](CC1)[*:1]
COc1cccc(C[NH+]2CCC(Cc3ncncc3C(=O)Nc3ccc(F)cc3)CC2)c1 O=C(Nc1ccc(F)cc1)[*:1] COc1cccc(c1)C[NH+]1CCC(CC1)Cc1ncncc1[*:1]
COc1cccc(C[NH+]2CCC(Cc3ncncc3C(=O)Nc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)C[NH+]1CCC(CC1)Cc1ncncc1C(=O)N[*:1]
Fc1ccc2nc(-c3ccccc3)cc(Br)c2c1 c1ccc(cc1)[*:1] Fc1ccc2nc(cc(Br)c2c1)[*:1]
NC(=O)c1cccnc1N1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)CC1 Clc1ccc(cc1)[*:1] NC(=O)c1cccnc1N1CCN(CC1)C(=O)c1nn(c2CCCCCc12)[*:1]
NC(=O)c1cccnc1N1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)CC1 NC(=O)[*:1] O=C(c1nn(-c2ccc(Cl)cc2)c2CCCCCc12)N1CCN(CC1)c1ncccc1[*:1]
NC(=O)c1cccnc1N1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)CC1 NC(=O)c1cccnc1[*:1] O=C(c1nn(-c2ccc(Cl)cc2)c2CCCCCc12)N1CCN(CC1)[*:1]
CC(C)[C@@H](CO)NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CC(C)[*:1] O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CC(C)[C@@H](CO)[*:1] O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N[*:1]
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1Cl O=C([O-])[*:1] Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H](c1ccccc1Cl)[*:1]
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1Cl Cc1nn(C)c(C)c1[*:1] C[C@H](C[*:1])C(=O)N[C@@H](C(=O)[O-])c1ccccc1Cl
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1Cl Clc1ccccc1[*:1] Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])[*:1]
C=CCS(=O)(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccccc2OC)C1 C=CC[*:1] COc1ccccc1-c1ccccc1C[C@H]1CN(CCNC1=O)S(=O)(=O)[*:1]
C=CCS(=O)(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccccc2OC)C1 COc1ccccc1[*:1] C=CCS(=O)(=O)N1CCNC(=O)[C@@H](Cc2ccccc2[*:1])C1
CN(C)C(=O)[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](Sc1nc2ccccc2c(=O)n1[*:1])c1ccccc1
CN(C)C(=O)[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1 CN(C)C(=O)[*:1] O=c1c2ccccc2nc(S[C@@H](c2ccccc2)[*:1])n1-c1ccccc1
CN(C)C(=O)[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)[*:1]
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1ccccc1-n1ccnc1 c1cn(cn1)[*:1] O=C(Cc1ccc(F)cc1)NNC(=O)NCc1ccccc1[*:1]
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1ccccc1-n1ccnc1 Fc1ccc(cc1)C[*:1] O=C(NCc1ccccc1-n1ccnc1)NNC(=O)[*:1]
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1ccccc1-n1ccnc1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NNC(=O)NCc1ccccc1-n1ccnc1
COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNc4ccccc4)c(C)c32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N/N=C1\CCCc2oc(C(=O)NN[*:1])c(C)c21
COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNc4ccccc4)c(C)c32)cc1 O=C(NNc1ccccc1)[*:1] COc1ccc(cc1)C(=O)N/N=C1\CCCc2oc(c(C)c21)[*:1]
COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNc4ccccc4)c(C)c32)cc1 COc1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)NNc1ccccc1
CCN1CCO[C@H](c2noc(CNCC(F)(F)F)n2)C1 FC(F)(F)C[*:1] CCN1CCO[C@@H](C1)c1noc(CN[*:1])n1
CCN1CCO[C@H](c2noc(CNCC(F)(F)F)n2)C1 FC(F)(F)CN[*:1] CCN1CCO[C@@H](C1)c1noc(C[*:1])n1
CCN1CCO[C@H](c2noc(CNCC(F)(F)F)n2)C1 FC(F)(F)[*:1] CCN1CCO[C@@H](C1)c1noc(CNC[*:1])n1
C#CCNCC(=O)N[C@@H](C)c1nnn[n-]1 C#CC[*:1] C[C@H](NC(=O)CN[*:1])c1nnn[n-]1
C#CCNCC(=O)N[C@@H](C)c1nnn[n-]1 C#CCN[*:1] C[C@H](NC(=O)C[*:1])c1nnn[n-]1
C#CCNCC(=O)N[C@@H](C)c1nnn[n-]1 C#CCNC[*:1] C[C@H](NC(=O)[*:1])c1nnn[n-]1
COC(=O)c1ccc(/C=N/O[C@H]2CCN(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(/C=N/O[C@H]2CCN(C2=O)[*:1])cc1
COC(=O)c1ccc(/C=N/O[C@H]2CCN(c3ccccc3)C2=O)cc1 COC(=O)[*:1] O=C1[C@H](CCN1c1ccccc1)O/N=C/c1ccc(cc1)[*:1]
NC(=O)N[C@@H](CC(=O)NCCc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)N[C@@H](CC(=O)NCCc1ccc(F)cc1)[*:1]
NC(=O)N[C@@H](CC(=O)NCCc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] NC(=O)N[C@@H](CC(=O)NCC[*:1])c1ccccc1
NC(=O)N[C@@H](CC(=O)NCCc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)C[*:1] NC(=O)N[C@@H](CC(=O)NC[*:1])c1ccccc1
NC(=O)N[C@@H](CC(=O)NCCc1ccc(F)cc1)c1ccccc1 NC(=O)N[*:1] O=C(C[C@@H](c1ccccc1)[*:1])NCCc1ccc(F)cc1
Cc1cc(-c2nc(CC(=O)NC3CCCCC3)no2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(-c2nc(CC(=O)NC3CCCCC3)no2)c(C)n1[*:1]
Cc1cc(-c2nc(CC(=O)NC3CCCCC3)no2)c(C)n1C1CC1 C1CCC(CC1)[*:1] Cc1cc(-c2nc(CC(=O)N[*:1])no2)c(C)n1C1CC1
CCCCNC(=O)CSCc1cccc(C)c1 CCC[*:1] Cc1cccc(c1)CSCC(=O)NC[*:1]
CCCCNC(=O)CSCc1cccc(C)c1 CCCC[*:1] Cc1cccc(c1)CSCC(=O)N[*:1]
COCC(=O)Nc1cccc(C(=O)Nc2cccc(OC)c2)c1 COC[*:1] COc1cccc(c1)NC(=O)c1cccc(c1)NC(=O)[*:1]
COCC(=O)Nc1cccc(C(=O)Nc2cccc(OC)c2)c1 COCC(=O)N[*:1] COc1cccc(c1)NC(=O)c1cccc(c1)[*:1]
O=C(NCc1cscn1)c1cccc(N2CCCS2(=O)=O)c1 c1nc(cs1)C[*:1] O=C(N[*:1])c1cccc(c1)N1CCCS1(=O)=O
O=C(NCc1cscn1)c1cccc(N2CCCS2(=O)=O)c1 c1nc(cs1)[*:1] O=C(NC[*:1])c1cccc(c1)N1CCCS1(=O)=O
O=C(NCc1cscn1)c1cccc(N2CCCS2(=O)=O)c1 O=S1(=O)CCCN1[*:1] O=C(NCc1cscn1)c1cccc(c1)[*:1]
CC(=O)Oc1ccc(C(=O)NCc2cccnc2)cc1 c1cncc(c1)[*:1] CC(=O)Oc1ccc(cc1)C(=O)NC[*:1]
CC(=O)Oc1ccc(C(=O)NCc2cccnc2)cc1 CC(=O)O[*:1] O=C(NCc1cccnc1)c1ccc(cc1)[*:1]
CC(C)C[C@H](C(=O)NCc1ccc([S@](C)=O)cc1)N1CCCCC1=O CC(C)[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)[C@@H](C[*:1])N1CCCCC1=O
CC(C)C[C@H](C(=O)NCc1ccc([S@](C)=O)cc1)N1CCCCC1=O CC(C)C[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)[C@H](N1CCCCC1=O)[*:1]
CC(C)C[C@H](C(=O)NCc1ccc([S@](C)=O)cc1)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@H](C(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
CC(C)C[C@H](C(=O)NCc1ccc([S@](C)=O)cc1)N1CCCCC1=O C[S@](=O)[*:1] CC(C)C[C@H](C(=O)NCc1ccc(cc1)[*:1])N1CCCCC1=O
COC(=O)C1(NC(=O)COc2ccc3oc4ccccc4c3c2)CCCCC1 COC(=O)[*:1] O=C(COc1ccc2oc3ccccc3c2c1)NC1(CCCCC1)[*:1]
C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1C(=O)[*:1]
Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1cccc(F)c1)CO2 Fc1cccc(c1)[*:1] Cc1c2OCN(Cc2cc2c3CCCc3c(=O)oc12)[*:1]
CC(=O)c1ccc(Sc2cc3ccccc3[nH]2)c(F)c1 CC(=O)[*:1] Fc1cc(ccc1Sc1cc2ccccc2[nH]1)[*:1]
Cc1cc(=O)c(C(=O)N2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)N1CCN(CC1)[C@@H](C)C(=O)N1CCCCC1
Cc1cc(=O)c(C(=O)N2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)nn1-c1ccccc1 O=C(N1CCCCC1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)N1CCN(CC1)[C@@H](C)[*:1]
Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)C(=O)N1CCC[C@H](C1)C(=O)NC1CCCCCC1
Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)s2)cc1 C1CCCC(CC1)[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)s2)cc1 O=C(NC1CCCCCC1)[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)s2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C(NC1CCCCCC1)[C@@H]1CCCN(C1)C(=O)c1nnc(s1)[*:1]
COc1ccc(OC)c(NC(=O)C(=O)NC[C@](C)(O)C2CC2)c1 C1CC1[*:1] COc1ccc(OC)c(c1)NC(=O)C(=O)NC[C@](C)(O)[*:1]
Cc1cnccc1-c1ccc(C[NH2+]C2CC2)cc1C C1CC1[*:1] Cc1cnccc1-c1ccc(cc1C)C[NH2+][*:1]
COc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)Nc2ncnn21 c1ccc(cc1)[*:1] COc1ccccc1[C@H]1C(C(=O)OC[*:1])=C(C)Nc2ncnn21
COc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)Nc2ncnn21 COc1ccccc1[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)OCc1ccccc1)[*:1]
COc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)Nc2ncnn21 c1ccc(cc1)C[*:1] COc1ccccc1[C@H]1C(C(=O)O[*:1])=C(C)Nc2ncnn21
Cc1c(C(=O)N2CC[C@@H](OCCC(C)C)C2)cnn1-c1ccncc1 CC(C)CC[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CC[C@H](C1)O[*:1]
Cc1c(C(=O)N2CC[C@@H](OCCC(C)C)C2)cnn1-c1ccncc1 CC(C)CCO[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CC[C@@H](C1)[*:1]
Cc1c(C(=O)N2CC[C@@H](OCCC(C)C)C2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CC[C@H](C1)OCCC(C)C
Cc1c(C(=O)N2CC[C@@H](OCCC(C)C)C2)cnn1-c1ccncc1 CC(C)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CC[C@H](C1)OCC[*:1]
Cc1c(C(=O)N2CC[C@@H](OCCC(C)C)C2)cnn1-c1ccncc1 CC(C)C[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CC[C@H](C1)OC[*:1]
Cc1cc(CN2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)no1 Cc1cc(C[*:1])no1 O=C([C@H]1CCCc2ccccc21)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)no1 Cc1cc(no1)[*:1] O=C([C@H]1CCCc2ccccc21)N1CCN(CC1)C[*:1]
O=C(CSc1ncc[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CSc1ncc[nH]1)Nc1ccc(F)c(c1)[*:1]
O=C(CSc1ncc[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 c1c[nH]c(n1)[*:1] O=C(CS[*:1])Nc1ccc(F)c(c1)[N+](=O)[O-]
O=C(CSc1ncc[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 c1c[nH]c(n1)S[*:1] O=C(C[*:1])Nc1ccc(F)c(c1)[N+](=O)[O-]
COc1ccc2c(c1)[C@@H](C(=O)NCCCn1cc(Cl)cn1)CC(=O)N2 Clc1cnn(c1)C[*:1] COc1ccc2NC(=O)C[C@H](C(=O)NCC[*:1])c2c1
COc1ccc2c(c1)[C@@H](C(=O)NCCCn1cc(Cl)cn1)CC(=O)N2 Clc1cnn(c1)CC[*:1] COc1ccc2NC(=O)C[C@H](C(=O)NC[*:1])c2c1
COc1ccc2c(c1)[C@@H](C(=O)NCCCn1cc(Cl)cn1)CC(=O)N2 Clc1cnn(c1)[*:1] COc1ccc2NC(=O)C[C@H](C(=O)NCCC[*:1])c2c1
Cc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(C)n1 Fc1ccc(cc1)[*:1] Cc1ccc(C(=O)NNC(=O)C[*:1])c(C)n1
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 C=CCN(CC=C)C(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[C@H]2CCC[C@H]21
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 C=CC[*:1] C=CCN(C(=O)c1ccc(cc1)NC(=O)N1CCC[C@H]2CCC[C@H]21)[*:1]
COc1ccc(-n2cccn2)c(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)C[NH2+][C@@H]1CC(=O)N(C1)[*:1])-n1cccn1
COc1ccc(-n2cccn2)c(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1 c1cnn(c1)[*:1] COc1ccc(c(c1)C[NH2+][C@@H]1CC(=O)N(C1)c1ccccc1)[*:1]
O=c1cc(CCCN2CCOCC2)nc(N[C@@H]2CCCc3ccccc32)[nH]1 C1CN(CCO1)C[*:1] O=c1cc(CC[*:1])nc(N[C@@H]2CCCc3ccccc32)[nH]1
O=c1cc(CCCN2CCOCC2)nc(N[C@@H]2CCCc3ccccc32)[nH]1 C1CN(CCO1)CC[*:1] O=c1cc(C[*:1])nc(N[C@@H]2CCCc3ccccc32)[nH]1
O=c1cc(CCCN2CCOCC2)nc(N[C@@H]2CCCc3ccccc32)[nH]1 C1CN(CCO1)[*:1] O=c1cc(CCC[*:1])nc(N[C@@H]2CCCc3ccccc32)[nH]1
O=c1cc(CCCN2CCOCC2)nc(N[C@@H]2CCCc3ccccc32)[nH]1 C(CN1CCOCC1)C[*:1] O=c1cc(nc(N[C@@H]2CCCc3ccccc32)[nH]1)[*:1]
CCNC(=O)CNC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C CCNC(=O)C[*:1] Cc1cc(/C=C(/C#N)C(=O)N[*:1])c(C)n1CC(C)C
CCNC(=O)CNC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C CC(C)[*:1] CCNC(=O)CNC(=O)/C(C#N)=C\c1cc(C)n(C[*:1])c1C
CCNC(=O)CNC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C CC(C)C[*:1] CCNC(=O)CNC(=O)/C(C#N)=C\c1cc(C)n(c1C)[*:1]
CCNC(=O)CNC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C CCNC(=O)[*:1] Cc1cc(/C=C(/C#N)C(=O)NC[*:1])c(C)n1CC(C)C
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CC2)c1 Cc1cccc(c1)C[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CC2)c1 Cc1cccc(c1)[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)C[*:1]
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CC2)c1 Cc1ccc(Cl)cc1[*:1] Cc1cccc(c1)CS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)C1 CNS(=O)(=O)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)c1cccc(c1)[*:1]
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@H]1C1CCCC1 C1CCN(CC1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])N1CCC[C@H]1C1CCCC1
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@H]1C1CCCC1 C1CCC(C1)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCC1)N1CCC[C@@H]1[*:1]
COCCN(C)c1ccc(C[C@H]2CCCN(S(C)(=O)=O)C2)[nH+]n1 COC[*:1] CN(C[*:1])c1ccc(C[C@H]2CCCN(C2)S(C)(=O)=O)[nH+]n1
COCCN(C)c1ccc(C[C@H]2CCCN(S(C)(=O)=O)C2)[nH+]n1 COCC[*:1] CN(c1ccc(C[C@H]2CCCN(C2)S(C)(=O)=O)[nH+]n1)[*:1]
COCCN(C)c1ccc(C[C@H]2CCCN(S(C)(=O)=O)C2)[nH+]n1 COCCN(C)[*:1] CS(=O)(=O)N1CCC[C@H](Cc2ccc(n[nH+]2)[*:1])C1
O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)OCCO2 O=[N+]([O-])[*:1] O=C(c1ccc(o1)[*:1])N1CCC2(CC1)OCCO2
C[C@H]1SCCC[C@@]1(C[NH3+])N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] C[C@H]1SCCC[C@@]1(C[NH3+])N1CC[NH+](CC1)C[*:1]
C[C@H]1SCCC[C@@]1(C[NH3+])N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] C[C@H]1SCCC[C@@]1(C[NH3+])N1CC[NH+](CC1)[*:1]
C[C@H](NC(=O)C1CCC1)c1ccc(-c2ccncc2)cc1 O=C(N[*:1])C1CCC1 C[C@H](c1ccc(cc1)-c1ccncc1)[*:1]
C[C@H](NC(=O)C1CCC1)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)C1CCC1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)C1CCC1)c1ccc(-c2ccncc2)cc1 C1CC(C1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-c1ccncc1
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2F)ccc1Cl Cc1ccc(c(F)c1)[*:1] COc1ccccc1[N-]S(=O)(=O)c1cc(ccc1Cl)C(=O)N[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccn2C)[NH+](C)C)cc1 CN(C)S(=O)(=O)[*:1] Cn1cccc1[C@H](CNC(=O)c1ccc(cc1)[*:1])[NH+](C)C
CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccn2C)[NH+](C)C)cc1 Cn1cccc1[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CN(C)c1nccc(N2CCN(Cc3ccon3)CC2)n1 c1cc(no1)[*:1] CN(C)c1nccc(n1)N1CCN(CC1)C[*:1]
CN(C)c1nccc(N2CCN(Cc3ccon3)CC2)n1 c1cc(C[*:1])no1 CN(C)c1nccc(n1)N1CCN(CC1)[*:1]
CN(C)c1nccc(N2CCN(Cc3ccon3)CC2)n1 CN(C)[*:1] c1cc(nc(n1)[*:1])N1CCN(CC1)Cc1ccon1
O=[S@@](CCc1ccccc1)Cc1cc(Cl)ccc1Cl c1ccc(cc1)[*:1] O=[S@@](CC[*:1])Cc1cc(Cl)ccc1Cl
CCCOC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 CCC[*:1] Cc1nc(nn1-c1c(Cl)cccc1Cl)C(=O)O[*:1]
CCCOC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 CCCOC(=O)[*:1] Cc1nc(nn1-c1c(Cl)cccc1Cl)[*:1]
CCC(CC)N(C)C(=O)N[C@@H](C)CC(=O)NC(C)C CC(C)NC(=O)[*:1] CCC(CC)N(C)C(=O)N[C@@H](C)C[*:1]
CCC(CC)N(C)C(=O)N[C@@H](C)CC(=O)NC(C)C CC(C)[*:1] CCC(CC)N(C)C(=O)N[C@@H](C)CC(=O)N[*:1]
CCC(CC)N(C)C(=O)N[C@@H](C)CC(=O)NC(C)C CCC(CC)[*:1] CC(C)NC(=O)C[C@H](C)NC(=O)N(C)[*:1]
CNS(=O)(=O)c1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)NC[C@@]1(CCC[C@H](C)C1)[NH+](C)C)[*:1]
Cc1nc2cc(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccnc3)ccc2o1 c1cncc(c1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1[*:1]
Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)[nH]n1 C1CN(CCO1)[*:1] Cc1cc([nH]n1)C(=O)Nc1cc(Br)ccc1[*:1]
Cc1cc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(Nc1cc(Br)ccc1N1CCOCC1)[*:1]
CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 O=S(=O)(N1CCOCC1)[*:1] CCn1c(nc2cc(ccc21)[*:1])S[C@H](C)c1nc2ccccc2c(=O)[nH]1
CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 O=c1[nH]c(nc2ccccc12)[*:1] CCn1c(nc2cc(ccc21)S(=O)(=O)N1CCOCC1)S[C@H](C)[*:1]
O=S(=O)(NCc1[nH+]ccc2ccccc12)c1cccnc1 c1cncc(c1)[*:1] O=S(=O)(NCc1[nH+]ccc2ccccc12)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 O=C(NC1CCCC1)[*:1] C[C@@H](CO)[C@@H](C)NC(=O)Nc1cnn(c1)C[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 C[C@@H](CO)[*:1] C[C@@H](NC(=O)Nc1cnn(c1)CC(=O)NC1CCCC1)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] C[C@@H](CO)[C@@H](C)NC(=O)Nc1cnn(c1)CC(=O)N[*:1]
O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)NCCCn2cccn2)CC1 c1cnn(c1)CC[*:1] O=C(Nc1ccc(Cl)cn1)C1CCN(CC1)C(=O)NC[*:1]
O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)NCCCn2cccn2)CC1 Clc1ccc(nc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)NCCCn1cccn1
O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)NCCCn2cccn2)CC1 c1cnn(c1)[*:1] O=C(Nc1ccc(Cl)cn1)C1CCN(CC1)C(=O)NCCC[*:1]
O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)NCCCn2cccn2)CC1 c1cnn(c1)C[*:1] O=C(Nc1ccc(Cl)cn1)C1CCN(CC1)C(=O)NCC[*:1]
O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)NCCCn2cccn2)CC1 c1cnn(c1)CCC[*:1] O=C(Nc1ccc(Cl)cn1)C1CCN(CC1)C(=O)N[*:1]
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1cc(F)cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 Cc1cc(F)cc(c1)[*:1] O=C(N1CC=C(CC1)c1c[nH]c2ccccc12)[*:1]
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 c1ccc(nc1)[*:1] CC(C)CN1C(=O)N(C[*:1])C(=O)C12CCN(CC2)Cc1nc2ccccc2s1
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 c1ccc2sc(nc2c1)[*:1] CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(CC2)C[*:1]
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 CC(C)[*:1] O=C1N(Cc2ccccn2)C(=O)C2(CCN(CC2)Cc2nc3ccccc3s2)N1C[*:1]
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 CC(C)C[*:1] O=C1N(Cc2ccccn2)C(=O)C2(CCN(CC2)Cc2nc3ccccc3s2)N1[*:1]
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 c1ccc2sc(C[*:1])nc2c1 CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(CC2)[*:1]
CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 c1ccc(C[*:1])nc1 CC(C)CN1C(=O)N(C(=O)C12CCN(CC2)Cc1nc2ccccc2s1)[*:1]
C[C@@]1(NC(=O)CCCNC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3C2)CCS(=O)(=O)C1 C[C@]1(CCS(=O)(=O)C1)[*:1] O=C(CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)N[*:1]
COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc2c(c1)c(C(C)=O)c(C)n2[*:1]
COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(C)cc1 CC(=O)[*:1] COc1ccc2c(c1)c(c(C)n2-c1ccc(C)cc1)[*:1]
C[C@H](C(=O)NC1CC1)N1CCc2cc(Br)sc2C1 C1CC1[*:1] C[C@H](C(=O)N[*:1])N1CCc2cc(Br)sc2C1
C[C@H](C(=O)NC1CC1)N1CCc2cc(Br)sc2C1 O=C(NC1CC1)[*:1] C[C@H](N1CCc2cc(Br)sc2C1)[*:1]
CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2nc3c(s2)CCCC3)C1 CC(=O)N[*:1] c1ccc(cc1)C[C@H]1C[C@H](C[C@H](O1)c1nc2CCCCc2s1)[*:1]
CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2nc3c(s2)CCCC3)C1 c1ccc(cc1)[*:1] CC(=O)N[C@@H]1C[C@H](C[*:1])O[C@@H](C1)c1nc2CCCCc2s1
CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2nc3c(s2)CCCC3)C1 c1ccc(cc1)C[*:1] CC(=O)N[C@H]1C[C@H](O[C@@H](C1)[*:1])c1nc2CCCCc2s1
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1cccnc1 C=CC[*:1] N#Cc1c(NC(=O)CSc2nnc(-c3cccnc3)n2[*:1])sc2CCCCc21
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1cccnc1 c1cncc(c1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1sc2CCCCc2c1C#N
Cc1cccc(C(=O)N2CCC(OCc3ccccc3C)CC2)c1 Cc1ccccc1[*:1] Cc1cccc(c1)C(=O)N1CCC(CC1)OC[*:1]
Cc1cccc(C(=O)N2CCC(OCc3ccccc3C)CC2)c1 Cc1ccccc1C[*:1] Cc1cccc(c1)C(=O)N1CCC(CC1)O[*:1]
Cc1cccc(C(=O)N2CCC(OCc3ccccc3C)CC2)c1 Cc1cccc(c1)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)[*:1]
COc1ccc(N2C[C@H](C(=O)NCCC(=O)N=c3[nH]c4ccccc4[nH]3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(CCNC(=O)[C@@H]1CC(=O)N(C1)[*:1])N=c1[nH]c2ccccc2[nH]1
Cc1ccc(S(=O)(=O)NCC2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)S(=O)(=O)NC[*:1]
Cc1ccc(S(=O)(=O)NCC2CC2)cc1 C1CC1C[*:1] Cc1ccc(cc1)S(=O)(=O)N[*:1]
O=C(CNc1cccc(C#Cc2ccccc2)c1)NCc1cccs1 c1csc(c1)[*:1] O=C(CNc1cccc(C#Cc2ccccc2)c1)NC[*:1]
O=C(CNc1cccc(C#Cc2ccccc2)c1)NCc1cccs1 c1ccc(cc1)[*:1] O=C(CNc1cccc(C#C[*:1])c1)NCc1cccs1
O=C(CNc1cccc(C#Cc2ccccc2)c1)NCc1cccs1 c1csc(c1)C[*:1] O=C(CNc1cccc(C#Cc2ccccc2)c1)N[*:1]
O=C(CNc1cccc(C#Cc2ccccc2)c1)NCc1cccs1 C(#C[*:1])c1ccccc1 O=C(CNc1cccc(c1)[*:1])NCc1cccs1
C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC(C)(C)C1 CC(C)(C)[*:1] C[C@H](NC(=O)O[*:1])C(=O)N1CCOC(C)(C)C1
Cc1ccc(C(=O)N2CCC[C@H](CCO)C2)c(F)c1 OCC[*:1] Cc1ccc(C(=O)N2CCC[C@H](C2)[*:1])c(F)c1
N#Cc1ccc2nc(N3CCC[C@H](c4nncn4C4CC4)C3)ccc2c1 C1CC1[*:1] N#Cc1ccc2nc(ccc2c1)N1CCC[C@@H](C1)c1nncn1[*:1]
N#Cc1ccc2nc(N3CCC[C@H](c4nncn4C4CC4)C3)ccc2c1 c1nnc(n1C1CC1)[*:1] N#Cc1ccc2nc(ccc2c1)N1CCC[C@H](C1)[*:1]
O=C(Nc1ccc(N2CCCC2=O)cc1)Nc1cccs1 c1csc(c1)[*:1] O=C(Nc1ccc(cc1)N1CCCC1=O)N[*:1]
O=C(Nc1ccc(N2CCCC2=O)cc1)Nc1cccs1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1cccs1
COc1ccc([C@@H]2NC(=O)C3=NN=C(c4ccc(C)cc4)[C@H]32)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)C1=NN=C2C(=O)N[C@H]([C@@H]21)[*:1]
COc1ccc([C@@H]2NC(=O)C3=NN=C(c4ccc(C)cc4)[C@H]32)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1NC(=O)C2=NN=C([C@H]21)[*:1]
CC[C@H](C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3cccc(OC)c3)CC2)C1=O COc1cccc(c1)[*:1] CC[C@H](C)NC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)[*:1])C1=O
CC[C@H](C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3cccc(OC)c3)CC2)C1=O c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)CN1CN(C2(CCN(CC2)C(=O)c2cccc(c2)OC)C1=O)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)C1 COC(=O)C(C)(C)[*:1] C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)C1 Oc1ccc(cc1)C[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)N[C@@H](C)C[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)C1 Oc1ccc(cc1)CC[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)C1 Oc1ccc(cc1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)N[C@@H](C)CC[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)C1 COC(=O)[*:1] C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@@H](C1)C(C)(C)[*:1]
CC(C)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1 CC(C)[*:1] O=C(c1ccccc1)N(Cc1c(noc1N1CCCCC1)-c1ccccc1)[*:1]
CC(C)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1 C1CCN(CC1)[*:1] CC(C)N(Cc1c(noc1[*:1])-c1ccccc1)C(=O)c1ccccc1
CC(C)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(Cc1c(noc1N1CCCCC1)-c1ccccc1)C(=O)[*:1]
CC(C)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(Cc1c(noc1N1CCCCC1)[*:1])C(=O)c1ccccc1
O=C(CCCCO)N[C@@H]1CCSc2ccc(Cl)cc21 OCCCC[*:1] O=C(N[C@@H]1CCSc2ccc(Cl)cc21)[*:1]
O=C(CCCCO)N[C@@H]1CCSc2ccc(Cl)cc21 OCCC[*:1] O=C(C[*:1])N[C@@H]1CCSc2ccc(Cl)cc21
O=C(CCCCO)N[C@@H]1CCSc2ccc(Cl)cc21 OCC[*:1] O=C(CC[*:1])N[C@@H]1CCSc2ccc(Cl)cc21
C[C@H](NS(=O)(=O)C[C@@H](C)CCl)C(=O)N(C)C C[C@@H](CCl)C[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)N(C)C
C[C@H](NS(=O)(=O)C[C@@H](C)CCl)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](NS(=O)(=O)C[C@@H](C)CCl)[*:1]
C[C@H](NS(=O)(=O)C[C@@H](C)CCl)C(=O)N(C)C C[C@@H](CCl)[*:1] C[C@H](NS(=O)(=O)C[*:1])C(=O)N(C)C
Cc1cc(C)n(CCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)n1 C[C@@H](O)[*:1] Cc1cc(C)n(CCC(=O)N[C@@H](C(=O)[O-])[*:1])n1
Cc1cc(C)n(CCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)n1 O=C([O-])[*:1] Cc1cc(C)n(CCC(=O)N[C@@H]([C@@H](C)O)[*:1])n1
COc1ccc(OCC#CCN2CCN(c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] C(#CCN1CCN(CC1)c1ccccc1)CO[*:1]
COc1ccc(OCC#CCN2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)OCC#CCN1CCN(CC1)[*:1]
Cc1n[nH]c(C)c1CCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 Cc1n[nH]c(C)c1C[*:1] C[C@@H](NC(=O)C[*:1])c1ccc2OCCOc2c1
Cc1n[nH]c(C)c1CCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 Cc1n[nH]c(C)c1[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc2OCCOc2c1
COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccc(C)cc2)c1N COc1ccc(Cl)cc1[*:1] Cc1ccc(cc1)C(=O)NNc1ncnc(N[*:1])c1N
COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)c2ccc(C)cc2)c1N Cc1ccc(cc1)[*:1] COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)[*:1])c1N
C/C(=N\Nc1nc(SCC(N)=O)n[nH]1)c1cccnc1 NC(=O)[*:1] C/C(=N\Nc1nc(n[nH]1)SC[*:1])c1cccnc1
C/C(=N\Nc1nc(SCC(N)=O)n[nH]1)c1cccnc1 NC(=O)CS[*:1] C/C(=N\Nc1nc(n[nH]1)[*:1])c1cccnc1
C/C(=N\Nc1nc(SCC(N)=O)n[nH]1)c1cccnc1 c1cncc(c1)[*:1] CC(=NNc1nc(n[nH]1)SCC(N)=O)[*:1]
C/C(=N\Nc1nc(SCC(N)=O)n[nH]1)c1cccnc1 NC(=O)C[*:1] C/C(=N\Nc1nc(n[nH]1)S[*:1])c1cccnc1
CC(C)NC(=O)[C@H](Cl)c1cccc(C2CC2)c1 C1CC1[*:1] CC(C)NC(=O)[C@H](Cl)c1cccc(c1)[*:1]
CC(C)NC(=O)[C@H](Cl)c1cccc(C2CC2)c1 CC(C)[*:1] O=C(N[*:1])[C@H](Cl)c1cccc(c1)C1CC1
CC[C@@H](CCCl)CNS(=O)(=O)c1ccccc1C CC[C@@H](CCCl)[*:1] Cc1ccccc1S(=O)(=O)NC[*:1]
CC[C@@H](CCCl)CNS(=O)(=O)c1ccccc1C ClCC[*:1] CC[C@@H](CNS(=O)(=O)c1ccccc1C)[*:1]
COC(=O)c1cccc(CCNC(=O)Nc2ccc3nn(C(C)C)cc3c2)c1 COC(=O)[*:1] CC(C)n1cc2cc(ccc2n1)NC(=O)NCCc1cccc(c1)[*:1]
COC(=O)c1cccc(CCNC(=O)Nc2ccc3nn(C(C)C)cc3c2)c1 CC(C)[*:1] COC(=O)c1cccc(c1)CCNC(=O)Nc1ccc2nn(cc2c1)[*:1]
SC[C@@H](COCc1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] SC[C@@H](COCc1ccc(Cl)cc1)[*:1]
CCC(=O)N1CSC[C@H]1C(=O)N(C)CCCOC COC[*:1] CCC(=O)N1CSC[C@H]1C(=O)N(C)CC[*:1]
CCC(=O)N1CSC[C@H]1C(=O)N(C)CCCOC COCC[*:1] CCC(=O)N1CSC[C@H]1C(=O)N(C)C[*:1]
CCC(=O)N1CSC[C@H]1C(=O)N(C)CCCOC COCCC[*:1] CCC(=O)N1CSC[C@H]1C(=O)N(C)[*:1]
C[C@@H](Oc1ccccc1NC(=O)CCC(F)(F)F)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(CCC(F)(F)F)Nc1ccccc1O[*:1]
C[C@@H](Oc1ccccc1NC(=O)CCC(F)(F)F)c1ccccc1 FC(F)(F)CC[*:1] C[C@@H](Oc1ccccc1NC(=O)[*:1])c1ccccc1
C[C@@H](Oc1ccccc1NC(=O)CCC(F)(F)F)c1ccccc1 FC(F)(F)[*:1] C[C@@H](Oc1ccccc1NC(=O)CC[*:1])c1ccccc1
C[C@@H](Oc1ccccc1NC(=O)CCC(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1NC(=O)CCC(F)(F)F)[*:1]
C[C@@H](Oc1ccccc1NC(=O)CCC(F)(F)F)c1ccccc1 FC(F)(F)C[*:1] C[C@@H](Oc1ccccc1NC(=O)C[*:1])c1ccccc1
CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)Nc3ccccc3Br)CC1)n2C CN(C)C(=O)[*:1] Cn1c(CN2CCN(CC2)C(=O)Nc2ccccc2Br)nc2cc(ccc21)[*:1]
CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)Nc3ccccc3Br)CC1)n2C Brc1ccccc1[*:1] CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(CC1)C(=O)N[*:1])n2C
O=CN[C@@H](NC(=S)Nc1cccc2ccccc12)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] O=CN[C@@H](NC(=S)Nc1cccc2ccccc12)[*:1]
O=CN[C@@H](NC(=S)Nc1cccc2ccccc12)C(Cl)(Cl)Cl O=CN[*:1] S=C(Nc1cccc2ccccc12)N[C@@H](C(Cl)(Cl)Cl)[*:1]
COc1ccccc1NC(=O)[C@@H]1C=C(c2cccnc2)N=N1 c1cncc(c1)[*:1] COc1ccccc1NC(=O)[C@@H]1C=C(N=N1)[*:1]
NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 NC(=O)N[*:1] c1cc2nc(sc2cc1[*:1])N1CCOCC1
NC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 C1CN(CCO1)[*:1] NC(=O)Nc1ccc2nc(sc2c1)[*:1]
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 O=S(=O)(N1CCCCC1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)COc1ccc(cc1)[*:1]
CCN(CC)c1ccc(C[NH2+]Cc2cccnc2)cn1 CCN(CC)[*:1] c1cncc(c1)C[NH2+]Cc1ccc(nc1)[*:1]
CCN(CC)c1ccc(C[NH2+]Cc2cccnc2)cn1 c1cncc(c1)[*:1] CCN(CC)c1ccc(cn1)C[NH2+]C[*:1]
C[C@@H](O)[C@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 C[C@@H](O)[*:1] C[C@H](C[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
C[C@@H](O)[C@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 C[C@@H](O)[C@H](C)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C[*:1]
C[C@@H](CCl)CS(=O)(=O)NC[C@@H]1CN(C)CCO1 C[C@@H](CCl)[*:1] CN1CCO[C@H](CNS(=O)(=O)C[*:1])C1
C[C@@H](CCl)CS(=O)(=O)NC[C@@H]1CN(C)CCO1 C[C@@H](CCl)C[*:1] CN1CCO[C@H](CNS(=O)(=O)[*:1])C1
CS[C@@H](C)C(=O)NC[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CS[C@@H](C)C(=O)NC[C@H]1CC(=O)N(C1)C[*:1]
CS[C@@H](C)C(=O)NC[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] CS[C@@H](C)C(=O)NC[C@H]1CC(=O)N(CC[*:1])C1
CS[C@@H](C)C(=O)NC[C@H]1CC(=O)N(CCc2ccccc2)C1 CS[C@@H](C)C(=O)N[*:1] O=C1C[C@@H](CN1CCc1ccccc1)C[*:1]
CS[C@@H](C)C(=O)NC[C@H]1CC(=O)N(CCc2ccccc2)C1 CS[C@@H](C)[*:1] O=C1C[C@H](CNC(=O)[*:1])CN1CCc1ccccc1
CC(C)(C)OC(=O)N1CCc2nc(NC(=O)C3=CC(C(=O)N4CCCC4)=NC3)sc2C1 CC(C)(C)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)O[*:1])C1=CC(=NC1)C(=O)N1CCCC1
Cc1nc(N2CCN(c3ccccc3)CC2)nc(NCc2ccco2)c1[N+](=O)[O-] c1coc(c1)CN[*:1] Cc1nc(nc(c1[N+](=O)[O-])[*:1])N1CCN(CC1)c1ccccc1
Cc1nc(N2CCN(c3ccccc3)CC2)nc(NCc2ccco2)c1[N+](=O)[O-] c1coc(c1)C[*:1] Cc1nc(nc(N[*:1])c1[N+](=O)[O-])N1CCN(CC1)c1ccccc1
Cc1nc(N2CCN(c3ccccc3)CC2)nc(NCc2ccco2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nc(nc(NCc2ccco2)c1[*:1])N1CCN(CC1)c1ccccc1
Cc1nc(N2CCN(c3ccccc3)CC2)nc(NCc2ccco2)c1[N+](=O)[O-] c1coc(c1)[*:1] Cc1nc(nc(NC[*:1])c1[N+](=O)[O-])N1CCN(CC1)c1ccccc1
Cc1nc(N2CCN(c3ccccc3)CC2)nc(NCc2ccco2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nc(nc(NCc2ccco2)c1[N+](=O)[O-])N1CCN(CC1)[*:1]
COCc1ccc(-c2ccc(OC3CCN(c4ncnc5nc[nH]c45)CC3)cc2)cc1 c1nc(c2[nH]cnc2n1)[*:1] COCc1ccc(cc1)-c1ccc(cc1)OC1CCN(CC1)[*:1]
COCc1ccc(-c2ccc(OC3CCN(c4ncnc5nc[nH]c45)CC3)cc2)cc1 COCc1ccc(cc1)[*:1] c1nc(c2[nH]cnc2n1)N1CCC(CC1)Oc1ccc(cc1)[*:1]
COCc1ccc(-c2ccc(OC3CCN(c4ncnc5nc[nH]c45)CC3)cc2)cc1 COC[*:1] c1nc(c2[nH]cnc2n1)N1CCC(CC1)Oc1ccc(cc1)-c1ccc(cc1)[*:1]
O=C(c1noc2ncnc(N3CCCC3)c12)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1noc2ncnc(c12)N1CCCC1)N1CC[C@H](C1)[*:1]
O=C(c1noc2ncnc(N3CCCC3)c12)N1CC[C@H](c2ccccc2)C1 C1CCN(C1)[*:1] O=C(c1noc2ncnc(c12)[*:1])N1CC[C@@H](C1)c1ccccc1
NS(=O)(=O)c1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])N[C@H]1CC(=O)N(C1)c1cccc(F)c1
NS(=O)(=O)c1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 Fc1cccc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
COc1ccccc1[C@]1(CC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)CC(=O)N(C2CCCC2)C1=O C1CCC(C1)[*:1] COc1ccccc1[C@]1(CC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)CC(=O)N(C1=O)[*:1]
COc1ccccc1[C@]1(CC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)CC(=O)N(C2CCCC2)C1=O COc1ccccc1[*:1] CC1(C)C[C@H]2C[C@](C)(CN2C(=O)C[C@@]2(CC(=O)N(C2=O)C2CCCC2)[*:1])C1
Cc1sc2ncnc(NC[C@@H](C)Cn3cccn3)c2c1C c1cnn(c1)C[*:1] Cc1sc2ncnc(NC[C@@H](C)[*:1])c2c1C
Cc1sc2ncnc(NC[C@@H](C)Cn3cccn3)c2c1C c1cnn(c1)[*:1] Cc1sc2ncnc(NC[C@@H](C)C[*:1])c2c1C
CCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C CCCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCc1c(F)cccc1Cl)n2C[*:1]
CCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C Fc1cccc(Cl)c1C[*:1] CCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)S[*:1]
CCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C Fc1cccc(Cl)c1[*:1] CCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)SC[*:1]
CCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C CCCCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCc1c(F)cccc1Cl)n2[*:1]
CCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C CCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCc1c(F)cccc1Cl)n2CC[*:1]
Cc1ccccc1N1C(N)=[NH+]C[C@]12CCC[C@@H](C1CC1)C2 Cc1ccccc1[*:1] NC1=[NH+]C[C@]2(CCC[C@H](C2)C2CC2)N1[*:1]
Cc1ccccc1N1C(N)=[NH+]C[C@]12CCC[C@@H](C1CC1)C2 C1CC1[*:1] Cc1ccccc1N1C(N)=[NH+]C[C@]12CCC[C@@H](C2)[*:1]
CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)(C)[NH2+][C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl CC(C)(C)[*:1] O=C(N[C@@H]([NH2+][*:1])C(Cl)(Cl)Cl)c1cccc(c1)[N+](=O)[O-]
CC(C)(C)[NH2+][C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl O=[N+]([O-])[*:1] CC(C)(C)[NH2+][C@H](NC(=O)c1cccc(c1)[*:1])C(Cl)(Cl)Cl
CC(C)(C)[NH2+][C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CC(C)(C)[NH2+][C@H](NC(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
CCOc1ccc(F)c(C(=O)Nc2ccc(CC#N)cc2)c1F CCO[*:1] N#CCc1ccc(cc1)NC(=O)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)Nc2ccc(CC#N)cc2)c1F N#CC[*:1] CCOc1ccc(F)c(C(=O)Nc2ccc(cc2)[*:1])c1F
COc1ccccc1C(=O)NCCC(=O)NCC1CCCCC1 C1CCC(CC1)[*:1] COc1ccccc1C(=O)NCCC(=O)NC[*:1]
COc1ccccc1C(=O)NCCC(=O)NCC1CCCCC1 C1CCC(CC1)C[*:1] COc1ccccc1C(=O)NCCC(=O)N[*:1]
CC[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1nccs1 c1csc(n1)[*:1] CC[C@@H](Nc1cc(C)c(cn1)[N+](=O)[O-])[*:1]
CC[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1nccs1 O=[N+]([O-])[*:1] CC[C@@H](Nc1cc(C)c(cn1)[*:1])c1nccs1
O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(-c2cnco2)cc1 c1ncc(o1)[*:1] O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1cnn(C)c1 Clc1ccc(cc1)S[*:1] C[C@H](NC(=O)NNC(=O)C[*:1])c1cnn(C)c1
C[C@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)[*:1]
C[C@H](NC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1cnn(C)c1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)NNC(=O)CS[*:1])c1cnn(C)c1
COc1ncccc1CNC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 COc1ncccc1[*:1] O=C(NC[*:1])N1CCC[C@@H]1c1nc2ccccc2[nH]1
CCC1CCC([NH+]2CCCN(C(C)C)CC2)CC1 CC(C)[*:1] CCC1CCC(CC1)[NH+]1CCCN(CC1)[*:1]
Cc1noc(CN2CCC[NH+](Cc3nc(C)no3)CC2)n1 Cc1noc(n1)[*:1] Cc1noc(CN2CCC[NH+](CC2)C[*:1])n1
Cc1noc(CN2CCC[NH+](Cc3nc(C)no3)CC2)n1 Cc1noc(n1)[*:1] Cc1noc(C[NH+]2CCCN(CC2)C[*:1])n1
Cc1noc(CN2CCC[NH+](Cc3nc(C)no3)CC2)n1 Cc1noc(C[*:1])n1 Cc1noc(CN2CCC[NH+](CC2)[*:1])n1
Cc1noc(CN2CCC[NH+](Cc3nc(C)no3)CC2)n1 Cc1noc(C[*:1])n1 Cc1noc(C[NH+]2CCCN(CC2)[*:1])n1
O=C(Cc1ccc(F)cc1)N1CCS[C@@H]1c1cccc(F)c1 Fc1ccc(cc1)[*:1] O=C(C[*:1])N1CCS[C@@H]1c1cccc(F)c1
O=C(Cc1ccc(F)cc1)N1CCS[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cc1ccc(F)cc1)N1CCS[C@H]1[*:1]
C[NH2+][C@H](c1ccn(Cc2cnc(C)s2)c1)C(C)C CC(C)[*:1] C[NH2+][C@H](c1ccn(c1)Cc1cnc(C)s1)[*:1]
C[NH2+][C@H](c1ccn(Cc2cnc(C)s2)c1)C(C)C Cc1ncc(s1)[*:1] C[NH2+][C@H](c1ccn(c1)C[*:1])C(C)C
C#CCN(CC(=O)[O-])c1[nH+]nc(C)c2ccccc12 O=C([O-])[*:1] C#CCN(C[*:1])c1[nH+]nc(C)c2ccccc12
C#CCN(CC(=O)[O-])c1[nH+]nc(C)c2ccccc12 C#CC[*:1] Cc1n[nH+]c(c2ccccc12)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])c1[nH+]nc(C)c2ccccc12 O=C([O-])C[*:1] C#CCN(c1[nH+]nc(C)c2ccccc12)[*:1]
Cc1cccnc1[C@@H](NC(=O)Cc1c(F)cccc1F)C(C)C CC(C)[*:1] Cc1cccnc1[C@@H](NC(=O)Cc1c(F)cccc1F)[*:1]
Cc1cccnc1[C@@H](NC(=O)Cc1c(F)cccc1F)C(C)C Cc1cccnc1[*:1] CC(C)[C@H](NC(=O)Cc1c(F)cccc1F)[*:1]
O=C([O-])CCCC1=NS(=O)(=O)c2ccccc2N1 O=C([O-])C[*:1] O=S1(=O)N=C(CC[*:1])Nc2ccccc21
O=C([O-])CCCC1=NS(=O)(=O)c2ccccc2N1 O=C([O-])CCC[*:1] O=S1(=O)N=C(Nc2ccccc21)[*:1]
O=C([O-])CCCC1=NS(=O)(=O)c2ccccc2N1 O=C([O-])[*:1] O=S1(=O)N=C(CCC[*:1])Nc2ccccc21
O=C([O-])CCCC1=NS(=O)(=O)c2ccccc2N1 O=C([O-])CC[*:1] O=S1(=O)N=C(C[*:1])Nc2ccccc21
CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)ccc21 c1ccc(cc1)CC[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)N[C@@H](c1ccccc1)[*:1]
CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)ccc21 c1ccc(cc1)C[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)N[C@@H](C[*:1])c1ccccc1
CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)ccc21 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)N[C@@H](CC[*:1])c1ccccc1
CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)ccc21 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)N[C@@H](CCc1ccccc1)[*:1]
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cnccn3)ccc21 c1cnc(cn1)[*:1] CCCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)[*:1]
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cnccn3)ccc21 CCC[*:1] CC1(C)COc2cc(ccc2N(C1=O)[*:1])NC(=O)c1cnccn1
CN(Cc1nc(C(F)(F)F)cs1)Cc1cc(O)ccc1Br FC(F)(F)[*:1] CN(Cc1nc(cs1)[*:1])Cc1cc(O)ccc1Br
O=C1CN(C(=O)c2cnc(C3CC3)[nH]c2=O)CCN1Cc1cccc(F)c1 C1CC1[*:1] O=C1CN(CCN1Cc1cccc(F)c1)C(=O)c1cnc([nH]c1=O)[*:1]
O=C1CN(C(=O)c2cnc(C3CC3)[nH]c2=O)CCN1Cc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C1CN(CCN1C[*:1])C(=O)c1cnc([nH]c1=O)C1CC1
O=C1CN(C(=O)c2cnc(C3CC3)[nH]c2=O)CCN1Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(c1cnc([nH]c1=O)C1CC1)N1CCN(C(=O)C1)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2CN(CC)C(C)=O)C1 CCN(C[*:1])C(C)=O CCCNC(=O)[C@@H]1CCCN(C1)C(=O)Nc1ccccc1[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2CN(CC)C(C)=O)C1 CCC[*:1] CCN(Cc1ccccc1NC(=O)N1CCC[C@H](C1)C(=O)N[*:1])C(C)=O
CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2CN(CC)C(C)=O)C1 CCN(C(C)=O)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)Nc1ccccc1C[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2CN(CC)C(C)=O)C1 CCCNC(=O)[*:1] CCN(Cc1ccccc1NC(=O)N1CCC[C@H](C1)[*:1])C(C)=O
COc1ccc(O[C@H](C)CNC(=O)c2cccc(-c3nnc(C)o3)c2)cc1 COc1ccc(cc1)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NC[C@@H](C)O[*:1]
COc1ccc(O[C@H](C)CNC(=O)c2cccc(-c3nnc(C)o3)c2)cc1 Cc1nnc(o1)[*:1] COc1ccc(cc1)O[C@H](C)CNC(=O)c1cccc(c1)[*:1]
COc1ccc(O[C@H](C)CNC(=O)c2cccc(-c3nnc(C)o3)c2)cc1 COc1ccc(cc1)O[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NC[C@@H](C)[*:1]
C[C@H]1CCCN(c2ncnc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1CCCN(C1)c1ncnc(Sc2ccc(Cl)cc2)c1[*:1]
C[C@H]1CCCN(c2ncnc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 Clc1ccc(cc1)[*:1] C[C@H]1CCCN(C1)c1ncnc(S[*:1])c1[N+](=O)[O-]
C[C@H]1CCCN(c2ncnc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 Clc1ccc(cc1)S[*:1] C[C@H]1CCCN(C1)c1ncnc(c1[N+](=O)[O-])[*:1]
C[C@H]1CCCN(c2ncnc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C1 C[C@H]1CCCN(C1)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Sc1ccc(Cl)cc1
C[C@@H](NS(=O)(=O)C1CCOCC1)c1ccc(-c2ccc(F)cc2)cc1 C1CC(CCO1)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@@H](NS(=O)(=O)C1CCOCC1)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)C1CCOCC1)c1ccc(cc1)[*:1]
COc1ccccc1[C@@H](O)[C@H](C)C#N C[C@H](C#N)[*:1] COc1ccccc1[C@@H](O)[*:1]
CCC[C@H](NC(=O)N[C@@H](c1ccccn1)C(C)C)c1nnc2ccccn12 c1ccc(nc1)[*:1] CCC[C@H](NC(=O)N[C@@H](C(C)C)[*:1])c1nnc2ccccn12
CCC[C@H](NC(=O)N[C@@H](c1ccccn1)C(C)C)c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] CCC[C@H](NC(=O)N[C@@H](c1ccccn1)C(C)C)[*:1]
CCC[C@H](NC(=O)N[C@@H](c1ccccn1)C(C)C)c1nnc2ccccn12 CC(C)[*:1] CCC[C@H](NC(=O)N[C@@H](c1ccccn1)[*:1])c1nnc2ccccn12
CCC[C@H](NC(=O)N[C@@H](c1ccccn1)C(C)C)c1nnc2ccccn12 CCC[*:1] CC(C)[C@@H](NC(=O)N[C@H](c1nnc2ccccn12)[*:1])c1ccccn1
CC1(C)CC(NC(=O)NCCCCOc2ccc(F)cc2)CC(C)(C)[NH2+]1 Fc1ccc(cc1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)NCCCCO[*:1]
CC1(C)CC(NC(=O)NCCCCOc2ccc(F)cc2)CC(C)(C)[NH2+]1 Fc1ccc(cc1)O[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)NCCCC[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)CCNC(=O)c1cccs1 c1csc(c1)[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)CCNC(=O)[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)CCNC(=O)c1cccs1 O=C(N[*:1])c1cccs1 CCN(C[C@@H]1COc2ccccc2O1)C(=O)CC[*:1]
Cc1cccc(C2=CC[NH+](CC(=O)N3CCCC3)CC2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)C1=CC[NH+](CC1)C[*:1]
Cc1cccc(C2=CC[NH+](CC(=O)N3CCCC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(C[NH+]1CC=C(CC1)[*:1])N1CCCC1
CC(C)(C)C(=O)N1CCC(C(=O)OC[C@@H](C#N)Cc2cccs2)CC1 c1csc(c1)C[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)OC[C@@H](C#N)[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)OC[C@@H](C#N)Cc2cccs2)CC1 CC(C)(C)[*:1] N#C[C@H](COC(=O)C1CCN(CC1)C(=O)[*:1])Cc1cccs1
CC(C)(C)C(=O)N1CCC(C(=O)OC[C@@H](C#N)Cc2cccs2)CC1 c1csc(c1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)OC[C@@H](C#N)C[*:1]
C[C@H]1CC(C(=O)Nc2nc3c(C(F)(F)F)cccc3s2)C[C@H](C)O1 FC(F)(F)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1nc2c(cccc2s1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 COC(=O)C(C)(C)[*:1] O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](C1)[*:1]
Fc1ccc(-c2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1 Fc1ccc(cc1)[*:1] c1ccc(nc1)-c1nc(cc(n1)[*:1])N1CCOCC1
Fc1ccc(-c2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1 C1CN(CCO1)[*:1] Fc1ccc(cc1)-c1cc(nc(n1)-c1ccccn1)[*:1]
Fc1ccc(-c2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1 c1ccc(nc1)[*:1] Fc1ccc(cc1)-c1cc(nc(n1)[*:1])N1CCOCC1
O=C(Nc1cccc(F)c1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 C1CO[C@H](C1)[*:1] O=C(Nc1cccc(F)c1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(Nc1cccc(F)c1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 C1CO[C@H](C1)C[*:1] O=C(Nc1cccc(F)c1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(Nc1cccc(F)c1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 Fc1cccc(c1)[*:1] O=C(N[*:1])N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1
O=C(Nc1cccc(F)c1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(Nc1cccc(F)c1)N(C[C@H]1CCCO1)[*:1]
CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)Cc1nc2ccccc2n1C O=C(N[*:1])C1CCCCC1 CC(C)[C@H](C(=O)NNC(=O)Cc1nc2ccccc2n1C)[*:1]
CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)Cc1nc2ccccc2n1C Cn1c(nc2ccccc21)[*:1] CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)C[*:1]
CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)Cc1nc2ccccc2n1C C1CCC(CC1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NNC(=O)Cc1nc2ccccc2n1C
CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)Cc1nc2ccccc2n1C CC(C)[*:1] Cn1c(CC(=O)NNC(=O)[C@@H](NC(=O)C2CCCCC2)[*:1])nc2ccccc21
CC[C@@H]1CCC[C@@](C[NH3+])([C@H](O)[C@@H]2CCCOC2)C1 C1COC[C@@H](C1)[*:1] CC[C@@H]1CCC[C@](C[NH3+])(C1)[C@H](O)[*:1]
Cn1cccc1-c1cc(C(=O)NCc2ccccc2OC(F)(F)F)[nH]n1 Cn1cccc1[*:1] O=C(NCc1ccccc1OC(F)(F)F)c1cc(n[nH]1)[*:1]
Cn1cccc1-c1cc(C(=O)NCc2ccccc2OC(F)(F)F)[nH]n1 FC(F)(F)[*:1] Cn1cccc1-c1cc([nH]n1)C(=O)NCc1ccccc1O[*:1]
Cn1cccc1-c1cc(C(=O)NCc2ccccc2OC(F)(F)F)[nH]n1 FC(F)(F)O[*:1] Cn1cccc1-c1cc([nH]n1)C(=O)NCc1ccccc1[*:1]
COc1cc(OC)cc(C(=O)NN/C(C)=C\C(=O)Nc2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] COc1cc(cc(c1)C(=O)NN/C(C)=C\C(=O)N[*:1])OC
Cc1ccccc1COC1CCN(C(=O)Cc2cn3ccccc3n2)CC1 Cc1ccccc1[*:1] O=C(Cc1cn2ccccc2n1)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)Cc2cn3ccccc3n2)CC1 c1ccn2cc(nc2c1)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)C[*:1]
Cc1ccccc1COC1CCN(C(=O)Cc2cn3ccccc3n2)CC1 Cc1ccccc1C[*:1] O=C(Cc1cn2ccccc2n1)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)Cc2cn3ccccc3n2)CC1 Cc1ccccc1CO[*:1] O=C(Cc1cn2ccccc2n1)N1CCC(CC1)[*:1]
Cc1ccc(Cl)cc1NC(=O)CCCCl ClCC[*:1] Cc1ccc(Cl)cc1NC(=O)C[*:1]
Cc1ccc(Cl)cc1NC(=O)CCCCl ClCCC[*:1] Cc1ccc(Cl)cc1NC(=O)[*:1]
Cc1coc2cc3c(cc12)[C@@H](C)[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(=O)O3 c1ccc2c(c[nH]c2c1)C[*:1] Cc1coc2cc3OC(=O)[C@@H](CCC(=O)N[C@@H](C(=O)[O-])[*:1])[C@H](C)c3cc12
Cc1coc2cc3c(cc12)[C@@H](C)[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(=O)O3 c1ccc2c(c[nH]c2c1)[*:1] Cc1coc2cc3OC(=O)[C@@H](CCC(=O)N[C@@H](C[*:1])C(=O)[O-])[C@H](C)c3cc12
Cc1coc2cc3c(cc12)[C@@H](C)[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(=O)O3 O=C([O-])[*:1] Cc1coc2cc3OC(=O)[C@@H](CCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)[*:1])[C@H](C)c3cc12
C[C@@H](C(=O)Nc1cccc(F)c1)[S@@](=O)Cc1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)Nc1cccc(F)c1)[S@@](=O)Cc1noc(n1)[*:1]
C[C@@H](C(=O)Nc1cccc(F)c1)[S@@](=O)Cc1noc(Cc2ccccc2)n1 Fc1cccc(c1)[*:1] C[C@@H](C(=O)N[*:1])[S@@](=O)Cc1noc(Cc2ccccc2)n1
C[C@@H](C(=O)Nc1cccc(F)c1)[S@@](=O)Cc1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1cccc(F)c1)[S@@](=O)Cc1noc(C[*:1])n1
O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] O=C1/C(=C/c2cccnc2)Oc2cc(ccc21)OC(=O)[*:1]
O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1cc2ccccc2o1 c1cncc(c1)[*:1] O=C(Oc1ccc2C(=O)C(=C[*:1])Oc2c1)c1cc2ccccc2o1
CSCc1ccc(NC(=O)N(CCO)[C@H]2CCc3ccccc32)cc1 CSC[*:1] O=C(Nc1ccc(cc1)[*:1])N(CCO)[C@H]1CCc2ccccc21
CSCc1ccc(NC(=O)N(CCO)[C@H]2CCc3ccccc32)cc1 OCC[*:1] CSCc1ccc(cc1)NC(=O)N([C@H]1CCc2ccccc21)[*:1]
COCc1ccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)o1 c1cncc(c1)[*:1] COCc1ccc(C[NH+]2CCN(CC2)[C@@H](C)[*:1])o1
COCc1ccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)o1 COC[*:1] C[C@@H](c1cccnc1)N1CC[NH+](CC1)Cc1ccc(o1)[*:1]
O=C(NCc1ccco1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 c1coc(c1)C[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(NCc1ccco1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 O=C(NCc1ccco1)[*:1] O=S(=O)(c1ccc(cc1)N1CCC(CC1)[*:1])N1CCOCC1
O=C(NCc1ccco1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 O=S(=O)(N1CCOCC1)[*:1] O=C(NCc1ccco1)C1CCN(CC1)c1ccc(cc1)[*:1]
O=C(NCc1ccco1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 c1coc(c1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(NCc1nc(-c2cccs2)n[nH]1)NC1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] O=C(NCc1nc(n[nH]1)-c1cccs1)NC1(CCCC1)[*:1]
O=C(NCc1nc(-c2cccs2)n[nH]1)NC1(c2ccccc2)CCCC1 c1csc(c1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])NC1(CCCC1)c1ccccc1
CCn1c(SCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])SCC(=O)N(C)[C@@H]1CCCC[C@@H]1C
CC(C)NC(=O)N1CCN(Cc2nc3cc(C(=O)N(C)C)ccc3n2C)CC1 CN(C)C(=O)[*:1] CC(C)NC(=O)N1CCN(CC1)Cc1nc2cc(ccc2n1C)[*:1]
CC(C)NC(=O)N1CCN(Cc2nc3cc(C(=O)N(C)C)ccc3n2C)CC1 CC(C)[*:1] CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(CC1)C(=O)N[*:1])n2C
Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)nn1C Cc1cc(nn1C)[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[*:1]
CC[C@H]1CCCCN1C(=O)Nc1ccc(C(N)=O)c(F)c1 NC(=O)[*:1] CC[C@H]1CCCCN1C(=O)Nc1ccc(c(F)c1)[*:1]
Cc1cc([C@@H](F)C(=O)[O-])ccc1F O=C([O-])[*:1] Cc1cc(ccc1F)[C@@H](F)[*:1]
O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)Oc1ccccc1)N1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CCN(CC1)C(=O)c1ccco1
O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(CC1)C(=O)c1ccco1
[NH3+]CCCOC1CCN(C(=O)c2cccc(F)c2F)CC1 [NH3+]CCCO[*:1] O=C(c1cccc(F)c1F)N1CCC(CC1)[*:1]
Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc(C(C)C)n1 O=[N+]([O-])[*:1] Cc1cc(nc(n1)C(C)C)NC(=O)c1cc(ccc1Cl)[*:1]
Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])NC(=O)c1cc(ccc1Cl)[N+](=O)[O-]
COc1ccccc1CC(=O)N(C)Cc1ccc(Br)s1 Brc1ccc(s1)[*:1] COc1ccccc1CC(=O)N(C)C[*:1]
COc1ccccc1CC1CCN(C(=O)c2c(C)nn(C)c2C)CC1 COc1ccccc1[*:1] Cc1nn(C)c(C)c1C(=O)N1CCC(CC1)C[*:1]
COc1ccccc1CC1CCN(C(=O)c2c(C)nn(C)c2C)CC1 Cc1nn(C)c(C)c1[*:1] COc1ccccc1CC1CCN(CC1)C(=O)[*:1]
O=C(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F c1ccc(cc1)[*:1] O=C(c1c(F)c(F)c(F)c(F)c1F)[*:1]
CC(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 CC(C)C[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])N(C[*:1])C1CC1
CC(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 O=[N+]([O-])[*:1] CC(C)CCN(C(=O)Nc1ccc(cc1)[*:1])C1CC1
CC(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 CC(C)CC[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])N(C1CC1)[*:1]
CC(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 C1CC1[*:1] CC(C)CCN(C(=O)Nc1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 CC(C)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])N(CC[*:1])C1CC1
Cc1[nH]ncc1C(=O)NCCCOC1CCCC1 C1CCC(C1)O[*:1] Cc1[nH]ncc1C(=O)NCCC[*:1]
Cc1[nH]ncc1C(=O)NCCCOC1CCCC1 Cc1[nH]ncc1[*:1] O=C(NCCCOC1CCCC1)[*:1]
Cc1[nH]ncc1C(=O)NCCCOC1CCCC1 C1CCC(C1)[*:1] Cc1[nH]ncc1C(=O)NCCCO[*:1]
Cc1cc(C[C@@H](C)N[C@@H]2CCCOc3ccc(C(C)C)cc32)n[nH]1 Cc1cc(n[nH]1)[*:1] CC(C)c1ccc2OCCC[C@@H](N[C@H](C)C[*:1])c2c1
Cc1cc(C[C@@H](C)N[C@@H]2CCCOc3ccc(C(C)C)cc32)n[nH]1 CC(C)[*:1] Cc1cc(C[C@@H](C)N[C@@H]2CCCOc3ccc(cc32)[*:1])n[nH]1
Cc1cc(C[C@@H](C)N[C@@H]2CCCOc3ccc(C(C)C)cc32)n[nH]1 Cc1cc(C[*:1])n[nH]1 CC(C)c1ccc2OCCC[C@@H](N[C@H](C)[*:1])c2c1
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Nc1cccc2c1OCCO2 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)[C@H](C)Nc1cccc2OCCOc12)[*:1]
CCN(C(=O)CSc1nc(-c2cccs2)n[nH]1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)CSc1nc(n[nH]1)-c1cccs1)[*:1]
CCN(C(=O)CSc1nc(-c2cccs2)n[nH]1)C1CCCCC1 c1csc(c1)[*:1] CCN(C(=O)CSc1nc(n[nH]1)[*:1])C1CCCCC1
CCOc1cccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 CCO[*:1] c1cc(cc(c1)[*:1])CC[NH2+]C1CC[NH+](CC1)C1CCCCC1
CCOc1cccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 C1CCC(CC1)[*:1] CCOc1cccc(c1)CC[NH2+]C1CC[NH+](CC1)[*:1]
CNC(=O)c1cc(NC(=O)C(C)(C)c2cccc(C#N)c2)ccc1F CNC(=O)[*:1] CC(C)(C(=O)Nc1ccc(F)c(c1)[*:1])c1cccc(C#N)c1
CNC(=O)c1cc(NC(=O)C(C)(C)c2cccc(C#N)c2)ccc1F N#Cc1cccc(c1)[*:1] CNC(=O)c1cc(ccc1F)NC(=O)C(C)(C)[*:1]
Cc1ccc(OCCN(C)C(=O)c2nn(C)c(=O)c3ccccc23)cc1 Cc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)c1nn(C)c(=O)c2ccccc12
Cc1ccc(OCCN(C)C(=O)c2nn(C)c(=O)c3ccccc23)cc1 Cc1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)c1nn(C)c(=O)c2ccccc12
COc1ccc(/C=N/NC(=O)c2nonc2C)c(OC)c1 Cc1nonc1[*:1] COc1ccc(/C=N/NC(=O)[*:1])c(c1)OC
O=C(NCc1cccc(F)c1)c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1 Fc1cccc(c1)[*:1] O=C(NC[*:1])c1cc(no1)[C@@H]1CCCN(Cc2ccccc2)C1
O=C(NCc1cccc(F)c1)c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1 c1ccc(cc1)C[*:1] O=C(NCc1cccc(F)c1)c1cc(no1)[C@@H]1CCCN(C1)[*:1]
O=C(NCc1cccc(F)c1)c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1 Fc1cccc(c1)C[*:1] O=C(N[*:1])c1cc(no1)[C@@H]1CCCN(Cc2ccccc2)C1
O=C(NCc1cccc(F)c1)c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1 c1ccc(cc1)[*:1] O=C(NCc1cccc(F)c1)c1cc(no1)[C@@H]1CCCN(C1)C[*:1]
O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1ccccc1F Fc1ccccc1[*:1] O=C1OC(=NC1=C[*:1])c1ccc(Cl)c(Cl)c1
C[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCCC[NH+]1CCN(CC1)[*:1]
Cc1nc(C#N)c(N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)o1 c1ccc(cc1)[*:1] Cc1nc(C#N)c(N/N=C/c2cn(nc2-c2ccc(cc2)S(=O)(=O)N(C)C)[*:1])o1
Cc1nc(C#N)c(N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)o1 CN(C)S(=O)(=O)[*:1] Cc1nc(C#N)c(N/N=C/c2cn(nc2-c2ccc(cc2)[*:1])-c2ccccc2)o1
O=C(CCC(=O)c1ccccc1)OCC#Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CCC(=O)c1ccccc1)OCC#C[*:1]
O=C(CCC(=O)c1ccccc1)OCC#Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])OCC#Cc1ccccc1
CCN1CC[NH+](Cc2c([O-])ccc3c2O/C(=C\c2ccc(OC)cc2OC)C3=O)CC1 COc1ccc(c(c1)OC)[*:1] CCN1CC[NH+](CC1)Cc1c([O-])ccc2C(=O)C(=C[*:1])Oc21
O=c1[nH]cc(-c2ccc(Cl)cc2)cc1CN(Cc1cccnc1)C[C@@H]1CCCO1 c1cncc(c1)[*:1] O=c1[nH]cc(cc1CN(C[C@@H]1CCCO1)C[*:1])-c1ccc(Cl)cc1
O=c1[nH]cc(-c2ccc(Cl)cc2)cc1CN(Cc1cccnc1)C[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] O=c1[nH]cc(cc1CN(Cc1cccnc1)C[C@@H]1CCCO1)[*:1]
O=c1[nH]cc(-c2ccc(Cl)cc2)cc1CN(Cc1cccnc1)C[C@@H]1CCCO1 c1cncc(c1)C[*:1] O=c1[nH]cc(cc1CN(C[C@@H]1CCCO1)[*:1])-c1ccc(Cl)cc1
CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCSCC1 CS(=O)(=O)[*:1] OC1(CCSCC1)C[NH2+][C@@H]1CCCC[C@H]1[*:1]
O=C([O-])c1ccc(NCn2c(=S)sc3cc([N+](=O)[O-])ccc32)cc1 O=C([O-])[*:1] O=[N+]([O-])c1ccc2c(c1)sc(=S)n2CNc1ccc(cc1)[*:1]
O=C([O-])c1ccc(NCn2c(=S)sc3cc([N+](=O)[O-])ccc32)cc1 O=[N+]([O-])[*:1] O=C([O-])c1ccc(cc1)NCn1c(=S)sc2cc(ccc21)[*:1]
Cc1ccc(C(=O)Nc2ccccc2N2CCc3ccccc32)cc1[N-]S(C)(=O)=O c1ccc2c(c1)CCN2[*:1] Cc1ccc(cc1[N-]S(C)(=O)=O)C(=O)Nc1ccccc1[*:1]
CNC(=O)COc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1c(Cl)cccc1Cl
CNC(=O)COc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 CNC(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1c(Cl)cccc1Cl
CNC(=O)COc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 CNC(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1c(Cl)cccc1Cl
COC(=O)c1ccc(COc2ccc(F)cc2Cl)cc1 COC(=O)[*:1] Fc1ccc(OCc2ccc(cc2)[*:1])c(Cl)c1
Cc1ccc(CNC(=O)Nc2ccccc2N2CCCC2=O)c(N(C)C)c1 O=C1CCCN1[*:1] Cc1ccc(CNC(=O)Nc2ccccc2[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)Nc2ccccc2N2CCCC2=O)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)Nc2ccccc2N2CCCC2=O)c(c1)[*:1]
Cc1noc(CC2CCN(C(=O)c3cccc(CCC(C)(C)O)c3)CC2)n1 Cc1noc(n1)[*:1] CC(C)(O)CCc1cccc(c1)C(=O)N1CCC(CC1)C[*:1]
Cc1noc(CC2CCN(C(=O)c3cccc(CCC(C)(C)O)c3)CC2)n1 Cc1noc(C[*:1])n1 CC(C)(O)CCc1cccc(c1)C(=O)N1CCC(CC1)[*:1]
Cc1noc(CC2CCN(C(=O)c3cccc(CCC(C)(C)O)c3)CC2)n1 CC(C)(O)[*:1] Cc1noc(CC2CCN(CC2)C(=O)c2cccc(c2)CC[*:1])n1
Cc1noc(CC2CCN(C(=O)c3cccc(CCC(C)(C)O)c3)CC2)n1 CC(C)(O)C[*:1] Cc1noc(CC2CCN(CC2)C(=O)c2cccc(c2)C[*:1])n1
Cc1noc(CC2CCN(C(=O)c3cccc(CCC(C)(C)O)c3)CC2)n1 CC(C)(O)CC[*:1] Cc1noc(CC2CCN(CC2)C(=O)c2cccc(c2)[*:1])n1
C[C@@H](Nc1ccc(C(=O)N(C)C)nn1)c1cccc(N)c1 Nc1cccc(c1)[*:1] C[C@@H](Nc1ccc(nn1)C(=O)N(C)C)[*:1]
C[C@@H](Nc1ccc(C(=O)N(C)C)nn1)c1cccc(N)c1 CN(C)C(=O)[*:1] C[C@@H](Nc1ccc(nn1)[*:1])c1cccc(N)c1
COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1CC(=O)NC[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(C)cc1 CC(=O)[*:1] COc1ccc(cc1CC(=O)NCc1ccc(C)cc1)[*:1]
COc1ccc(F)cc1NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 NC(=O)[*:1] COc1ccc(F)cc1NC(=O)N[C@H]1CCC[C@H](C1)[*:1]
Nc1ccc2oc(=O)n(CC(F)(F)F)c2c1 FC(F)(F)C[*:1] Nc1ccc2oc(=O)n(c2c1)[*:1]
Nc1ccc2oc(=O)n(CC(F)(F)F)c2c1 FC(F)(F)[*:1] Nc1ccc2oc(=O)n(C[*:1])c2c1
Cc1ccc([C@H](C)NC(=O)c2cn(C3C[NH2+]C3)nn2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
CN(CC(=O)N1CCC[C@H]1c1ccccc1Cl)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(CC(=O)N1CCC[C@H]1c1ccccc1Cl)C(=O)O[*:1]
CN(CC(=O)N1CCC[C@H]1c1ccccc1Cl)C(=O)OC(C)(C)C Clc1ccccc1[*:1] CN(CC(=O)N1CCC[C@@H]1[*:1])C(=O)OC(C)(C)C
Cc1ccc([C@@H]2C[C@@H]2c2nc(CC(=O)NC3CCCC3)no2)s1 C1CCC(C1)[*:1] Cc1ccc(s1)[C@@H]1C[C@@H]1c1nc(CC(=O)N[*:1])no1
Cc1ccc([C@@H]2C[C@@H]2c2nc(CC(=O)NC3CCCC3)no2)s1 Cc1ccc(s1)[*:1] O=C(Cc1noc(n1)[C@H]1C[C@H]1[*:1])NC1CCCC1
[NH3+][C@@H]1CCCC[C@@H]1Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] [NH3+][C@@H]1CCCC[C@@H]1Nc1nc2ccccc2n1C[*:1]
O=C(Cl)CCCc1ccc(F)cc1F O=C(Cl)C[*:1] Fc1ccc(CC[*:1])c(F)c1
O=C(Cl)CCCc1ccc(F)cc1F O=C(Cl)[*:1] Fc1ccc(CCC[*:1])c(F)c1
CC(=O)c1ccc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)O[C@@H]1CCCC[C@H]1O)c1ccc(cc1)[*:1]
COc1cccc(OCC(=O)N/N=C/c2ccccc2C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)OCC(=O)N/N=C/c1ccccc1[*:1]
COc1cccc(OCC(=O)N/N=C/c2ccccc2C(=O)[O-])c1 COc1cccc(c1)[*:1] O=C(CO[*:1])N/N=C/c1ccccc1C(=O)[O-]
CCc1ccc(Oc2ncnc3nc(SC)sc23)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCc1ccc(Oc2ncnc3nc(SC)sc23)c(c1)[*:1]
O=C(Nc1ccccc1O)c1cc(-n2ccnc2)ccn1 Oc1ccccc1[*:1] O=C(N[*:1])c1cc(ccn1)-n1ccnc1
O=C(Nc1ccccc1O)c1cc(-n2ccnc2)ccn1 c1cn(cn1)[*:1] O=C(Nc1ccccc1O)c1cc(ccn1)[*:1]
C[C@@H]1CC(C(=O)Nc2cncnc2N(C)C)C[C@@H](C)O1 CN(C)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1cncnc1[*:1]
COC(=O)CC[NH+](Cc1cccc(Br)c1)C1CCOCC1 C1CC(CCO1)[*:1] COC(=O)CC[NH+](Cc1cccc(Br)c1)[*:1]
COC(=O)CC[NH+](Cc1cccc(Br)c1)C1CCOCC1 Brc1cccc(c1)[*:1] COC(=O)CC[NH+](C[*:1])C1CCOCC1
COC(=O)CC[NH+](Cc1cccc(Br)c1)C1CCOCC1 COC(=O)C[*:1] Brc1cccc(c1)C[NH+](C[*:1])C1CCOCC1
COC(=O)CC[NH+](Cc1cccc(Br)c1)C1CCOCC1 COC(=O)[*:1] Brc1cccc(c1)C[NH+](CC[*:1])C1CCOCC1
COC(=O)CC[NH+](Cc1cccc(Br)c1)C1CCOCC1 COC(=O)CC[*:1] Brc1cccc(c1)C[NH+](C1CCOCC1)[*:1]
Cc1nc([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)cc(=O)[nH]1 Cc1noc(C)c1[*:1] Cc1nc(cc(=O)[nH]1)[C@@H]1CCCN(C1)C(=O)[*:1]
Fc1ccc(-c2nc(COc3ccccc3)co2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)-c1nc(co1)CO[*:1]
Cc1cc(C[NH+]2CCN(Cc3cccc(F)c3Cl)CC2)no1 Cc1cc(no1)[*:1] Fc1cccc(CN2CC[NH+](CC2)C[*:1])c1Cl
Cc1cc(C[NH+]2CCN(Cc3cccc(F)c3Cl)CC2)no1 Cc1cc(C[*:1])no1 Fc1cccc(CN2CC[NH+](CC2)[*:1])c1Cl
C=CC[NH2+][C@]1(C(=O)[O-])CCCCC1(C)C O=C([O-])[*:1] C=CC[NH2+][C@@]1(CCCCC1(C)C)[*:1]
C=CC[NH2+][C@]1(C(=O)[O-])CCCCC1(C)C C=CC[*:1] CC1(C)CCCC[C@]1([NH2+][*:1])C(=O)[O-]
CCOc1ccccc1OCCN(C)CC#N N#CC[*:1] CCOc1ccccc1OCCN(C)[*:1]
CCOc1ccccc1OCCN(C)CC#N CN(CC#N)[*:1] CCOc1ccccc1OCC[*:1]
CCOc1ccccc1OCCN(C)CC#N CCO[*:1] CN(CC#N)CCOc1ccccc1[*:1]
COCN(c1ccccc1)c1ccccc1 COC[*:1] c1ccc(cc1)N(c1ccccc1)[*:1]
COc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1 COc1cccc(c1)[*:1] Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)[N-]S(=O)(=O)[*:1]
C/C([O-])=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 C/C([O-])=N/S(=O)(=O)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C(=O)OCc2cc[nH+]c(N(C)C)c2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)OCc1cc[nH+]c(c1)N(C)C
Cc1cc(C(=O)OCc2cc[nH+]c(N(C)C)c2)nn1-c1ccccc1 CN(C)[*:1] Cc1cc(nn1-c1ccccc1)C(=O)OCc1cc[nH+]c(c1)[*:1]
O=C(Cc1csc(N2CCCC2=O)n1)NC12CC3CC(CC(C3)C1)C2 O=C1CCCN1[*:1] O=C(Cc1csc(n1)[*:1])NC12CC3CC(CC(C3)C1)C2
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC[C@@H]1CCCO1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=S)NC[C@@H]1CCCO1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1NC(=S)N[*:1])S(=O)(=O)N(C)C
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1NC(=S)NC[*:1])S(=O)(=O)N(C)C
CC[C@@H](NC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccncc1 CC(C)(C)[*:1] CC[C@@H](NC(=O)N1CCC[C@@H]1CNC(=O)O[*:1])c1ccncc1
CC[C@@H](NC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccncc1 CC(C)(C)OC(=O)N[*:1] CC[C@@H](NC(=O)N1CCC[C@@H]1C[*:1])c1ccncc1
CC[C@@H](NC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)[*:1]
C[C@H](CNC(=O)c1ccc(NC=O)cc1)Cc1cccs1 O=CN[*:1] C[C@H](CNC(=O)c1ccc(cc1)[*:1])Cc1cccs1
C[C@H](CNC(=O)c1ccc(NC=O)cc1)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](CNC(=O)c1ccc(cc1)NC=O)[*:1]
C[C@H](CNC(=O)c1ccc(NC=O)cc1)Cc1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)c1ccc(cc1)NC=O)C[*:1]
Nc1nc(SCc2c(F)cccc2Cl)[nH]c(=O)c1NC(=O)c1ccc(Cl)cc1 Fc1cccc(Cl)c1[*:1] Nc1nc([nH]c(=O)c1NC(=O)c1ccc(Cl)cc1)SC[*:1]
Nc1nc(SCc2c(F)cccc2Cl)[nH]c(=O)c1NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nc1nc([nH]c(=O)c1NC(=O)[*:1])SCc1c(F)cccc1Cl
Nc1nc(SCc2c(F)cccc2Cl)[nH]c(=O)c1NC(=O)c1ccc(Cl)cc1 Fc1cccc(Cl)c1C[*:1] Nc1nc([nH]c(=O)c1NC(=O)c1ccc(Cl)cc1)S[*:1]
COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc([N+](=O)[O-])cc3)c([O-])nc12 O=[N+]([O-])[*:1] COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(cc3)[*:1])c([O-])nc12
COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc([N+](=O)[O-])cc3)c([O-])nc12 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc2c(c1)[nH]c1c(=O)n(N=C[*:1])c([O-])nc12
O=C(/C=C/C1CC1)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 C(=C[*:1])C1CC1 O=C(Nc1cccc(c1)-c1cn2CCCCc2[nH+]1)[*:1]
O=C(/C=C/C1CC1)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 C1CC1[*:1] O=C(C=C[*:1])Nc1cccc(c1)-c1cn2CCCCc2[nH+]1
C[C@H]1CCc2c(sc3nc(S[C@H](C)c4nc(N)nc(N(C)C)n4)n(-c4ccccc4)c(=O)c23)C1 CN(C)[*:1] C[C@H]1CCc2c(C1)sc1nc(S[C@H](C)c3nc(N)nc(n3)[*:1])n(-c3ccccc3)c(=O)c21
C[C@H]1CCc2c(sc3nc(S[C@H](C)c4nc(N)nc(N(C)C)n4)n(-c4ccccc4)c(=O)c23)C1 c1ccc(cc1)[*:1] C[C@H]1CCc2c(C1)sc1nc(S[C@H](C)c3nc(N)nc(n3)N(C)C)n(c(=O)c21)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)/C=C/c2ccc(Br)s2)C1 Brc1ccc(s1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)C=C[*:1]
Nc1c(Nc2ncc(C(F)(F)F)cc2Cl)ncnc1N1CCC(C(=O)[O-])CC1 O=C([O-])C1CCN(CC1)[*:1] Nc1c(ncnc1[*:1])Nc1ncc(cc1Cl)C(F)(F)F
Nc1c(Nc2ncc(C(F)(F)F)cc2Cl)ncnc1N1CCC(C(=O)[O-])CC1 FC(F)(F)[*:1] Nc1c(ncnc1N1CCC(CC1)C(=O)[O-])Nc1ncc(cc1Cl)[*:1]
Nc1c(Nc2ncc(C(F)(F)F)cc2Cl)ncnc1N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] Nc1c(ncnc1N1CCC(CC1)[*:1])Nc1ncc(cc1Cl)C(F)(F)F
O=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] O=C(NCCc1c[nH]c2ccccc12)c1ccc(cc1)[*:1]
Cc1cc(Cl)ccc1NC(=O)c1cc(C(N)=O)cn1C NC(=O)[*:1] Cc1cc(Cl)ccc1NC(=O)c1cc(cn1C)[*:1]
COc1ccc(CNC(=O)[C@H](C)N2C(=O)N3CCC4=c5cc(OC)ccc5=[NH+][C@@H]4[C@@]3(C)C2=O)cc1 COc1ccc(cc1)C[*:1] COc1ccc2=[NH+][C@H]3C(CCN4C(=O)N(C(=O)[C@]34C)[C@@H](C)C(=O)N[*:1])=c2c1
COc1ccc(CNC(=O)[C@H](C)N2C(=O)N3CCC4=c5cc(OC)ccc5=[NH+][C@@H]4[C@@]3(C)C2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc2=[NH+][C@H]3C(CCN4C(=O)N(C(=O)[C@]34C)[C@@H](C)C(=O)NC[*:1])=c2c1
Cc1ccc(N2/C(=N/C(=O)Cc3ccc(F)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1C Cc1ccc(cc1C)[*:1] O=C(Cc1ccc(F)cc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1ccc(N2/C(=N/C(=O)Cc3ccc(F)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1ccc(N2/C(=N/C(=O)Cc3ccc(F)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1C Fc1ccc(cc1)C[*:1] Cc1ccc(cc1C)N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
COCCS(=O)(=O)Cc1ccc(C(=O)[O-])cn1 COC[*:1] O=C([O-])c1ccc(CS(=O)(=O)C[*:1])nc1
COCCS(=O)(=O)Cc1ccc(C(=O)[O-])cn1 O=C([O-])[*:1] COCCS(=O)(=O)Cc1ccc(cn1)[*:1]
COCCS(=O)(=O)Cc1ccc(C(=O)[O-])cn1 COCC[*:1] O=C([O-])c1ccc(CS(=O)(=O)[*:1])nc1
CCc1nn(C)cc1CNC(=O)Cc1ccc(C)o1 Cc1ccc(o1)[*:1] CCc1nn(C)cc1CNC(=O)C[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)NNC(=O)c1ccc(C#N)cc1 Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)NNC(=O)c1ccc(C#N)cc1
CCN(Cc1ccc(Cl)s1)C(=O)NNC(=O)c1ccc(C#N)cc1 Clc1ccc(C[*:1])s1 CCN(C(=O)NNC(=O)c1ccc(C#N)cc1)[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)NNC(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCN(Cc1ccc(Cl)s1)C(=O)NNC(=O)[*:1]
COc1cccc(/C=C2\SC(=S)N=C2[O-])c1OCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COc1cccc(/C=C2\SC(=S)N=C2[O-])c1OC[*:1]
C[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)[C@@H]1CO O=S(=O)(C(F)F)[*:1] C[C@@H]1CCCN(C(=O)Nc2cccc(c2)[*:1])[C@@H]1CO
C[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)[C@@H]1CO FC(F)[*:1] C[C@@H]1CCCN(C(=O)Nc2cccc(c2)S(=O)(=O)[*:1])[C@@H]1CO
CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H](Oc2cccc(CO)c2)C1 O=C([O-])[*:1] CC(C)[NH2+][C@@]1(CC[C@@H](C1)Oc1cccc(c1)CO)[*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H](Oc2cccc(CO)c2)C1 CC(C)[*:1] O=C([O-])[C@]1(CC[C@@H](C1)Oc1cccc(c1)CO)[NH2+][*:1]
CC[C@@H](C)c1nc2cc(Cl)ccc2n1C[C@H]1CCCO1 CC[C@@H](C)[*:1] Clc1ccc2c(c1)nc(n2C[C@H]1CCCO1)[*:1]
CC[C@@H](C)c1nc2cc(Cl)ccc2n1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@@H](C)c1nc2cc(Cl)ccc2n1C[*:1]
CC[C@@H](C)c1nc2cc(Cl)ccc2n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC[C@@H](C)c1nc2cc(Cl)ccc2n1[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)[C@@H](C)S[*:1]
C[C@H](C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1)[*:1]
C[C@H](C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1)c1ccsc1 C[C@H](c1ccsc1)[*:1] O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[*:1]
C[C@H](C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1)c1ccsc1 c1coc(c1)[*:1] C[C@H](C(=O)N1CCC[C@@H]1C(=O)NC[*:1])c1ccsc1
C[C@H](C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1)c1ccsc1 c1coc(c1)C[*:1] C[C@H](C(=O)N1CCC[C@@H]1C(=O)N[*:1])c1ccsc1
Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCCC1 Clc1ccc(cc1)[*:1] Cn1c(CC(=O)N[*:1])nnc1SCC(=O)NC1CCCCC1
Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SC[*:1]
Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)N[*:1]
CC1(C)CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1NN O=[N+]([O-])[*:1] CC1(C)CCC[C@H]1NC(=O)c1cc(ccc1NN)[*:1]
C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)([NH+](C)C)C1 [NH3+]C[C@H]1CC[C@H](O1)[*:1] C[C@@H]1CCC[C@](CNC(=O)[*:1])(C1)[NH+](C)C
COc1ccc(C)cc1-n1c(SCC#N)nc2cc(Cl)ccc2c1=O N#CC[*:1] COc1ccc(C)cc1-n1c(nc2cc(Cl)ccc2c1=O)S[*:1]
COc1ccc(C)cc1-n1c(SCC#N)nc2cc(Cl)ccc2c1=O N#CCS[*:1] COc1ccc(C)cc1-n1c(nc2cc(Cl)ccc2c1=O)[*:1]
COc1cccc(NC(=O)CNc2ccccc2N2CCCCC2)c1 C1CCN(CC1)[*:1] COc1cccc(c1)NC(=O)CNc1ccccc1[*:1]
COc1cccc(NC(=O)CNc2ccccc2N2CCCCC2)c1 COc1cccc(c1)[*:1] O=C(CNc1ccccc1N1CCCCC1)N[*:1]
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)o1 CCOC(=O)[*:1] O=C(C[C@H]1C=CCC1)N1CCN(CC1)S(=O)(=O)c1ccc(o1)[*:1]
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(SCC#N)c1 N#CC[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(c1)S[*:1]
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(SCC#N)c1 N#CCS[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(c1)[*:1]
CC[C@H](NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1)c1nc(C)n[nH]1 CC(C)=CC(=O)N[*:1] CC[C@H](NC(=O)c1ccc(cc1)C[*:1])c1nc(C)n[nH]1
CC[C@H](NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1)c1nc(C)n[nH]1 CC(C)=CC(=O)NC[*:1] CC[C@H](NC(=O)c1ccc(cc1)[*:1])c1nc(C)n[nH]1
CC[C@H](NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1)c1nc(C)n[nH]1 CC(C)=C[*:1] CC[C@H](NC(=O)c1ccc(cc1)CNC(=O)[*:1])c1nc(C)n[nH]1
CC[C@H](NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@H](NC(=O)c1ccc(cc1)CNC(=O)C=C(C)C)[*:1]
[NH3+]C[C@@H](CC(=O)N1CCCC1)[NH2+]C1CCCC1 C1CCC(C1)[*:1] [NH3+]C[C@@H](CC(=O)N1CCCC1)[NH2+][*:1]
COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccccc3SC)C2)c(C)c1 COc1ccc(c(C)c1)[*:1] CSc1ccccc1C(=O)N1CCC[C@H](CCC(=O)N[*:1])C1
COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccccc3SC)C2)c(C)c1 CSc1ccccc1[*:1] COc1ccc(NC(=O)CC[C@H]2CCCN(C2)C(=O)[*:1])c(C)c1
COc1ccc([C@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)N2CCOCC2)cc1OC COc1ccc(cc1OC)[*:1] Cc1c([nH]c2CC(C)(C)CC(=O)c21)C(=O)NC[C@H](N1CCOCC1)[*:1]
COc1ccc([C@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)N2CCOCC2)cc1OC C1CN(CCO1)[*:1] COc1ccc(cc1OC)[C@H](CNC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[*:1]
CC[C@@H](C)[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(N)=O CC[C@@H](C)[*:1] NC(=O)[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[*:1]
CSC(C)(C)CNC(=O)c1cccc([N-]S(C)(=O)=O)c1 CSC(C)(C)[*:1] CS(=O)(=O)[N-]c1cccc(c1)C(=O)NC[*:1]
CSC(C)(C)CNC(=O)c1cccc([N-]S(C)(=O)=O)c1 CSC(C)(C)C[*:1] CS(=O)(=O)[N-]c1cccc(c1)C(=O)N[*:1]
CCC(CC)C(=O)c1c[nH]c(C(=O)NCc2cccnc2)c1 c1cncc(c1)[*:1] CCC(CC)C(=O)c1c[nH]c(c1)C(=O)NC[*:1]
CCC(CC)C(=O)c1c[nH]c(C(=O)NCc2cccnc2)c1 CCC(CC)[*:1] O=C(NCc1cccnc1)c1cc(c[nH]1)C(=O)[*:1]
CCC(CC)C(=O)c1c[nH]c(C(=O)NCc2cccnc2)c1 c1cncc(c1)C[*:1] CCC(CC)C(=O)c1c[nH]c(c1)C(=O)N[*:1]
CCC(CC)C(=O)c1c[nH]c(C(=O)NCc2cccnc2)c1 CCC(CC)C(=O)[*:1] O=C(NCc1cccnc1)c1cc(c[nH]1)[*:1]
Cc1csc(CN(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 Cc1csc(C[*:1])n1 CN(Cc1cc(ccc1OC(F)F)[N+](=O)[O-])[*:1]
Cc1csc(CN(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 O=[N+]([O-])[*:1] Cc1csc(CN(C)Cc2cc(ccc2OC(F)F)[*:1])n1
Cc1csc(CN(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 Cc1csc(n1)[*:1] CN(Cc1cc(ccc1OC(F)F)[N+](=O)[O-])C[*:1]
Cc1csc(CN(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 FC(F)O[*:1] Cc1csc(CN(C)Cc2cc(ccc2[*:1])[N+](=O)[O-])n1
Cc1csc(CN(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 FC(F)[*:1] Cc1csc(CN(C)Cc2cc(ccc2O[*:1])[N+](=O)[O-])n1
Cc1ccc(NC(=O)CN2CCN(c3ccc4c(c3)OCCO4)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)c1ccc2OCCOc2c1)N[*:1]
COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(Cl)cc2)N1c1ccc(C(C)=O)cc1 CC(=O)[*:1] COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(Cl)cc2)N1c1ccc(cc1)[*:1]
COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(Cl)cc2)N1c1ccc(C(C)=O)cc1 Clc1ccc(cc1)[*:1] COC(=O)C[C@]1(O)C(=O)C=C(N1c1ccc(cc1)C(C)=O)[*:1]
COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(Cl)cc2)N1c1ccc(C(C)=O)cc1 CC(=O)c1ccc(cc1)[*:1] COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(Cl)cc2)N1[*:1]
COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(Cl)cc2)N1c1ccc(C(C)=O)cc1 COC(=O)C[*:1] CC(=O)c1ccc(cc1)N1C(=CC(=O)[C@]1(O)[*:1])c1ccc(Cl)cc1
COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(Cl)cc2)N1c1ccc(C(C)=O)cc1 COC(=O)[*:1] CC(=O)c1ccc(cc1)N1C(=CC(=O)[C@@]1(O)C[*:1])c1ccc(Cl)cc1
O=C([O-])[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1cc(F)ccc1F O=C([O-])[*:1] O=C(Nc1cc(F)ccc1F)[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1[*:1]
CC(C)[C@@](C)(O)CNC(=O)c1cccc(C[S@@](C)=O)c1 CC(C)[*:1] C[S@@](=O)Cc1cccc(c1)C(=O)NC[C@@](C)(O)[*:1]
CC(C)[C@@](C)(O)CNC(=O)c1cccc(C[S@@](C)=O)c1 C[S@@](=O)[*:1] CC(C)[C@@](C)(O)CNC(=O)c1cccc(c1)C[*:1]
CC(C)[C@@](C)(O)CNC(=O)c1cccc(C[S@@](C)=O)c1 CC(C)[C@@](C)(O)[*:1] C[S@@](=O)Cc1cccc(c1)C(=O)NC[*:1]
CC(C)[C@@](C)(O)CNC(=O)c1cccc(C[S@@](C)=O)c1 C[S@@](=O)C[*:1] CC(C)[C@@](C)(O)CNC(=O)c1cccc(c1)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(NC(C)=O)c2)C12CCCCC2 CCO[*:1] CC(=O)Nc1cccc(c1)CNC(=O)N[C@@H]1C[C@H](C12CCCCC2)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(NC(C)=O)c2)C12CCCCC2 CC(=O)N[*:1] CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(c2)[*:1])C12CCCCC2
CC(C)CCN(c1ccc(N)cc1C(N)=O)C1CCCC1 C1CCC(C1)[*:1] CC(C)CCN(c1ccc(N)cc1C(N)=O)[*:1]
CC(C)CCN(c1ccc(N)cc1C(N)=O)C1CCCC1 CC(C)CC[*:1] NC(=O)c1cc(N)ccc1N(C1CCCC1)[*:1]
CC(C)CCN(c1ccc(N)cc1C(N)=O)C1CCCC1 CC(C)C[*:1] NC(=O)c1cc(N)ccc1N(C[*:1])C1CCCC1
CC(C)CCN(c1ccc(N)cc1C(N)=O)C1CCCC1 NC(=O)[*:1] CC(C)CCN(c1ccc(N)cc1[*:1])C1CCCC1
CC(C)CCN(c1ccc(N)cc1C(N)=O)C1CCCC1 CC(C)[*:1] NC(=O)c1cc(N)ccc1N(CC[*:1])C1CCCC1
CSC[C@@H](C)NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1 c1csc(c1)CC[*:1] CSC[C@@H](C)NC(=O)N1CCC(CC1)C(=O)N[*:1]
CSC[C@@H](C)NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1 CSC[*:1] C[C@@H](NC(=O)N1CCC(CC1)C(=O)NCCc1cccs1)[*:1]
CSC[C@@H](C)NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1 c1csc(c1)C[*:1] CSC[C@@H](C)NC(=O)N1CCC(CC1)C(=O)NC[*:1]
CSC[C@@H](C)NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1 c1csc(c1)[*:1] CSC[C@@H](C)NC(=O)N1CCC(CC1)C(=O)NCC[*:1]
Oc1c(C2=CC(C(F)(F)F)=NCCN2)ccc2ccccc12 FC(F)(F)[*:1] Oc1c(ccc2ccccc12)C1=CC(=NCCN1)[*:1]
CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)CC)c2)sc2ccc([N+](=O)[O-])cc21 CCS(=O)(=O)[*:1] CCn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2ccc(cc21)[N+](=O)[O-]
CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)CC)c2)sc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] CCn1/c(=N/C(=O)c2cccc(c2)S(=O)(=O)CC)sc2ccc(cc21)[*:1]
O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1Cc2ccccc2O1 O=C1CCCN1[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1Cc2ccccc2O1
CCC[C@@H](C)N1C[C@@H](C(=O)NC2(C(N)=O)CCCC2)CC1=O CCC[C@@H](C)[*:1] NC(=O)C1(CCCC1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)NC2(C(N)=O)CCCC2)CC1=O NC(=O)[*:1] CCC[C@@H](C)N1C[C@H](CC1=O)C(=O)NC1(CCCC1)[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)NC2(C(N)=O)CCCC2)CC1=O CCC[*:1] C[C@@H](N1C[C@H](CC1=O)C(=O)NC1(CCCC1)C(N)=O)[*:1]
Cc1cc(S(=O)(=O)NCc2ccnn2C)sc1Br Cn1nccc1[*:1] Cc1cc(sc1Br)S(=O)(=O)NC[*:1]
O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)[*:1] O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccccc1)C[*:1]
O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)C[*:1] O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccccc1)[*:1]
O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)[*:1] O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccco1)C[*:1]
O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)C[*:1] O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccco1)[*:1]
N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1ccc2OCCCOc2c1
C=CC[NH+](CC=C)[C@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 O=C(N1CCSCC1)[*:1] C=CC[NH+](CC=C)[C@H]1CCc2c(C1)c(nn2C)[*:1]
C=CC[NH+](CC=C)[C@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 C=CC[*:1] C=CC[NH+]([C@H]1CCc2c(C1)c(nn2C)C(=O)N1CCSCC1)[*:1]
Cc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)s1 C1CN(CCO1)[*:1] Cc1ccc(CN2CC[C@H](C2)C[*:1])s1
Cc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)s1 Cc1ccc(s1)[*:1] C1CN(CCO1)C[C@@H]1CCN(C1)C[*:1]
O=C(Cc1cccnc1)N1CCCC[C@H]1c1cccc(F)c1 c1cncc(c1)C[*:1] O=C(N1CCCC[C@H]1c1cccc(F)c1)[*:1]
O=C(Cc1cccnc1)N1CCCC[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cc1cccnc1)N1CCCC[C@@H]1[*:1]
O=C(Cc1cccnc1)N1CCCC[C@H]1c1cccc(F)c1 c1cncc(c1)[*:1] O=C(C[*:1])N1CCCC[C@H]1c1cccc(F)c1
C[C@@H](CO)CS[C@@H](C)C(=O)Nc1cc(Cl)ccc1F C[C@@H](CO)CS[*:1] C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[*:1]
C[C@@H](CO)CS[C@@H](C)C(=O)Nc1cc(Cl)ccc1F C[C@@H](CO)[*:1] C[C@H](SC[*:1])C(=O)Nc1cc(Cl)ccc1F
C[C@@H](CO)CS[C@@H](C)C(=O)Nc1cc(Cl)ccc1F C[C@@H](CO)C[*:1] C[C@H](S[*:1])C(=O)Nc1cc(Cl)ccc1F
CCn1c(CN[C@@H](c2ccccc2)c2ccc(OC)cc2)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(CN[C@@H](c2ccc(cc2)OC)[*:1])nc2ccccc21
CCn1c(CN[C@@H](c2ccccc2)c2ccc(OC)cc2)nc2ccccc21 COc1ccc(cc1)[*:1] CCn1c(CN[C@@H](c2ccccc2)[*:1])nc2ccccc21
CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CC(C)(C)[*:1] O=C(NC[C@@H](O)[*:1])C(=O)Nc1ccc2[nH]c(nc2c1)C(F)F
C[C@H]1[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1[C@@H](CC(=O)N1[*:1])[NH2+]Cc1coc(n1)-c1ccccc1
C[C@H]1[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1[C@@H](CC(=O)N1Cc1ccccc1)[NH2+]Cc1coc(n1)[*:1]
C[C@H]1[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1[C@@H](CC(=O)N1C[*:1])[NH2+]Cc1coc(n1)-c1ccccc1
CCCCNC(=O)/C(C#N)=C/c1ccc(-c2nc3ccccc3s2)o1 CCC[*:1] N#C/C(=C\c1ccc(o1)-c1nc2ccccc2s1)C(=O)NC[*:1]
CCCCNC(=O)/C(C#N)=C/c1ccc(-c2nc3ccccc3s2)o1 CCCCNC(=O)[*:1] N#CC(=Cc1ccc(o1)-c1nc2ccccc2s1)[*:1]
CCCCNC(=O)/C(C#N)=C/c1ccc(-c2nc3ccccc3s2)o1 CCCC[*:1] N#C/C(=C\c1ccc(o1)-c1nc2ccccc2s1)C(=O)N[*:1]
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1c(C(C)C)cccc1C(C)C CC(C)[*:1] CCN(Cc1ccc2OCOc2c1)C(=O)Nc1c(cccc1[*:1])C(C)C
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1c(C(C)C)cccc1C(C)C c1cc2OCOc2cc1[*:1] CCN(C[*:1])C(=O)Nc1c(cccc1C(C)C)C(C)C
COc1ccccc1Cn1ccnc1-c1cccc(C(C)=O)c1 CC(=O)[*:1] COc1ccccc1Cn1ccnc1-c1cccc(c1)[*:1]
C[C@H]([NH3+])C[C@H](C)N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] C[C@H]([NH3+])C[C@H](C)N(C)CC[*:1]
COc1ccccc1/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccccc1OC)C=2C#N COc1ccccc1[*:1] COc1ccccc1[C@@H]1C(C#N)=C(N)n2c(sc(=C[*:1])c2=O)=C1C#N
COc1ccccc1/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccccc1OC)C=2C#N COc1ccccc1[*:1] COc1ccccc1/C=c1/sc2=C(C#N)[C@H](C(C#N)=C(N)n2c1=O)[*:1]
O=C(NCCc1ccccn1)Nc1cccc(C(=O)N2CCSCC2)c1 c1ccc(nc1)[*:1] O=C(NCC[*:1])Nc1cccc(c1)C(=O)N1CCSCC1
O=C(NCCc1ccccn1)Nc1cccc(C(=O)N2CCSCC2)c1 c1ccc(C[*:1])nc1 O=C(NC[*:1])Nc1cccc(c1)C(=O)N1CCSCC1
O=C(NCCc1ccccn1)Nc1cccc(C(=O)N2CCSCC2)c1 O=C(N1CCSCC1)[*:1] O=C(NCCc1ccccn1)Nc1cccc(c1)[*:1]
O=C(NCCc1ccccn1)Nc1cccc(C(=O)N2CCSCC2)c1 c1ccc(CC[*:1])nc1 O=C(Nc1cccc(c1)C(=O)N1CCSCC1)N[*:1]
CN(Cc1ccc(F)cc1)C(=O)Cn1c(=S)[nH]c2ccccc2c1=O Fc1ccc(cc1)C[*:1] CN(C(=O)Cn1c(=S)[nH]c2ccccc2c1=O)[*:1]
CN(Cc1ccc(F)cc1)C(=O)Cn1c(=S)[nH]c2ccccc2c1=O Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)Cn1c(=S)[nH]c2ccccc2c1=O
CC(=O)NCc1ccc(C(=O)O[C@@H](C)c2ccccn2)cc1 CC(=O)NC[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])c1ccccn1
CC(=O)NCc1ccc(C(=O)O[C@@H](C)c2ccccn2)cc1 c1ccc(nc1)[*:1] CC(=O)NCc1ccc(cc1)C(=O)O[C@@H](C)[*:1]
CC(=O)NCc1ccc(C(=O)O[C@@H](C)c2ccccn2)cc1 CC(=O)N[*:1] C[C@H](OC(=O)c1ccc(cc1)C[*:1])c1ccccn1
C[C@@H]1CCCCN1c1nc(C(F)(F)F)ccc1C(N)=S NC(=S)[*:1] C[C@@H]1CCCCN1c1nc(ccc1[*:1])C(F)(F)F
C[C@@H]1CCCCN1c1nc(C(F)(F)F)ccc1C(N)=S FC(F)(F)[*:1] C[C@@H]1CCCCN1c1nc(ccc1C(N)=S)[*:1]
COCc1nc2cc(NC(=O)c3cc(F)cc(F)c3)ccc2o1 COC[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])c1cc(F)cc(F)c1
O=C(CN1C(=O)CNC1=O)N1CCC(O)(c2ccc(F)cc2)CC1 O=C1CNC(=O)N1C[*:1] O=C(N1CCC(O)(CC1)c1ccc(F)cc1)[*:1]
O=C(CN1C(=O)CNC1=O)N1CCC(O)(c2ccc(F)cc2)CC1 O=C1CNC(=O)N1[*:1] O=C(C[*:1])N1CCC(O)(CC1)c1ccc(F)cc1
O=C(CN1C(=O)CNC1=O)N1CCC(O)(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CN1C(=O)CNC1=O)N1CCC(O)(CC1)[*:1]
O=C(c1ccccc1)C(F)F FC(F)[*:1] O=C(c1ccccc1)[*:1]
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 Fc1cccc(Cl)c1[*:1] Cc1ccc(cc1S(=O)(=O)NC[C@@H]([NH+]1CCCC1)[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 CS(=O)(=O)[*:1] Cc1ccc(cc1S(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[*:1]
C=CCN1C(=O)[C@H](CC)S/C1=N/c1ccc(C(=O)[O-])cc1 C=CC[*:1] CC[C@@H]1S/C(=N/c2ccc(cc2)C(=O)[O-])N(C1=O)[*:1]
C=CCN1C(=O)[C@H](CC)S/C1=N/c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] C=CCN1C(=O)[C@H](CC)S/C1=N/c1ccc(cc1)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CC[NH2+]C1CC1 C1CC1[*:1] C[C@H]1[C@@H](CCN1C(=O)CC[NH2+][*:1])C(=O)[O-]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CC[NH2+]C1CC1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)CC[NH2+]C1CC1)[*:1]
CCCc1nnc2c(=O)n(CC(=O)Nc3c(C)cccc3C)c3ccccc3n12 CCC[*:1] Cc1cccc(C)c1NC(=O)Cn1c(=O)c2nnc(n2c2ccccc21)[*:1]
CCCc1nnc2c(=O)n(CC(=O)Nc3c(C)cccc3C)c3ccccc3n12 Cc1cccc(C)c1[*:1] CCCc1nnc2c(=O)n(CC(=O)N[*:1])c3ccccc3n12
O=[N+]([O-])c1ccc(OCCOc2cc(F)ccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(F)cc1OCCOc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(OCCOc2cc(F)ccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(cc1)OCCOc1cc(F)ccc1[*:1]
CCCS(=O)(=O)/N=C(\[O-])c1cc(C#N)cs1 CCC[*:1] N#Cc1csc(c1)/C([O-])=N/S(=O)(=O)[*:1]
COc1ccc(NC(=O)c2ccc([S@](=O)C(C)C)cc2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)NC(=O)c1ccc(cc1)[S@](=O)[*:1]
Oc1cccc(-c2cc(CC3(NCc4ccco4)COC3)no2)c1 c1coc(c1)CN[*:1] Oc1cccc(c1)-c1cc(CC2(COC2)[*:1])no1
Oc1cccc(-c2cc(CC3(NCc4ccco4)COC3)no2)c1 Oc1cccc(c1)[*:1] c1coc(c1)CNC1(COC1)Cc1cc(on1)[*:1]
Oc1cccc(-c2cc(CC3(NCc4ccco4)COC3)no2)c1 c1coc(c1)[*:1] Oc1cccc(c1)-c1cc(CC2(COC2)NC[*:1])no1
Oc1cccc(-c2cc(CC3(NCc4ccco4)COC3)no2)c1 c1coc(c1)C[*:1] Oc1cccc(c1)-c1cc(CC2(COC2)N[*:1])no1
COCCn1cc(Nc2cc(C#N)c3cc(Cl)ccc3n2)cn1 COCC[*:1] N#Cc1cc(nc2ccc(Cl)cc12)Nc1cnn(c1)[*:1]
COCCn1cc(Nc2cc(C#N)c3cc(Cl)ccc3n2)cn1 COC[*:1] N#Cc1cc(nc2ccc(Cl)cc12)Nc1cnn(c1)C[*:1]
O=C(NCC1(C2CC2)CC1)c1scnc1C1CC1 C1CC1[*:1] O=C(NCC1(CC1)C1CC1)c1scnc1[*:1]
O=C(NCC1(C2CC2)CC1)c1scnc1C1CC1 C1CC1C1(CC1)[*:1] O=C(NC[*:1])c1scnc1C1CC1
O=C(NCC1(C2CC2)CC1)c1scnc1C1CC1 C1CC1[*:1] O=C(NCC1(CC1)[*:1])c1scnc1C1CC1
O=C(CC[C@@H]1CCCOC1)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] O=C(CC[C@@H]1CCCOC1)Nc1ccn(n1)[*:1]
O=C(CC[C@@H]1CCCOC1)Nc1ccn(-c2ncccc2Cl)n1 C1COC[C@@H](C1)[*:1] O=C(CC[*:1])Nc1ccn(n1)-c1ncccc1Cl
O=C(CC[C@@H]1CCCOC1)Nc1ccn(-c2ncccc2Cl)n1 C1COC[C@@H](C1)C[*:1] O=C(C[*:1])Nc1ccn(n1)-c1ncccc1Cl
Cc1cccc([C@](C)(O)Cc2nccs2)c1 c1csc(n1)[*:1] Cc1cccc(c1)[C@](C)(O)C[*:1]
C[C@@H](c1ccco1)N(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)NCC1CCN(CC1)c1cc[nH+]cc1)C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
C[C@@H](c1ccco1)N(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 C[C@@H](c1ccco1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N(C1CC1)[*:1]
Nc1ccc(O)c(CSc2nnnn2C2CCCC2)c1 C1CCC(C1)[*:1] Nc1ccc(O)c(c1)CSc1nnnn1[*:1]
COc1cccc(NC2CC[NH+](Cc3cc(-c4ccccc4)[nH]n3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC1CC[NH+](CC1)Cc1cc([nH]n1)[*:1]
COc1cccc(NC2CC[NH+](Cc3cc(-c4ccccc4)[nH]n3)CC2)c1 COc1cccc(c1)N[*:1] c1ccc(cc1)-c1cc(C[NH+]2CCC(CC2)[*:1])n[nH]1
COc1cccc(NC2CC[NH+](Cc3cc(-c4ccccc4)[nH]n3)CC2)c1 COc1cccc(c1)[*:1] c1ccc(cc1)-c1cc(C[NH+]2CCC(CC2)N[*:1])n[nH]1
Cc1ccc(Nc2ncnc(Nc3ccccc3F)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccccc1F
Cc1ccc(Nc2ncnc(Nc3ccccc3F)c2[N+](=O)[O-])cc1 Fc1ccccc1N[*:1] Cc1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1ccc(Nc2ncnc(Nc3ccccc3F)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1ccccc1F
Cc1ccc(Nc2ncnc(Nc3ccccc3F)c2[N+](=O)[O-])cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
Cc1ccc(Nc2ncnc(Nc3ccccc3F)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)Nc1ncnc(Nc2ccccc2F)c1[*:1]
Cc1nc(-c2ccsc2)sc1C(=O)N1CCCSCC1 c1cc(cs1)[*:1] Cc1nc(sc1C(=O)N1CCCSCC1)[*:1]
CC(C)COc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 CC(C)C[*:1] N#Cc1cccc(c1)C[NH2+]Cc1ccc(cc1)O[*:1]
CC(C)COc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 CC(C)[*:1] N#Cc1cccc(c1)C[NH2+]Cc1ccc(cc1)OC[*:1]
CC(C)COc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 CC(C)CO[*:1] N#Cc1cccc(c1)C[NH2+]Cc1ccc(cc1)[*:1]
CCn1nc(C(C)C)cc1C(=O)OCC(=O)N1CCCCCC1 CC(C)[*:1] CCn1nc(cc1C(=O)OCC(=O)N1CCCCCC1)[*:1]
CCCC[C@@H](CC)CC(=O)[C@@H]1C[NH+]2CCN1CC2 CCCC[*:1] CC[C@@H](CC(=O)[C@@H]1C[NH+]2CCN1CC2)[*:1]
CCCC[C@@H](CC)CC(=O)[C@@H]1C[NH+]2CCN1CC2 CCC[*:1] CC[C@@H](CC(=O)[C@@H]1C[NH+]2CCN1CC2)C[*:1]
COc1ccc([C@@H]2C[C@H](C(=O)N3CCOCC3)CN(C(C)=O)C2)cc1OC O=C(N1CCOCC1)[*:1] COc1ccc(cc1OC)[C@@H]1C[C@H](CN(C1)C(C)=O)[*:1]
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccco2)c1 c1coc(c1)[*:1] Cc1cc(C)cc(c1)CSCC(=O)NN=C[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2cnccc2n1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2cnccc2n1
O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCCSc2ccccc21 C1CO[C@@H](C1)CO[*:1] O=C(c1ccc(cc1)[*:1])N1CCCSc2ccccc21
O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 c1ccc(cc1)[*:1] O=C(OC[*:1])[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C1)CC(F)(F)F
O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 c1ccc(cc1)C[*:1] O=C(O[*:1])[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C1)CC(F)(F)F
O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccccc1N[C@@H](C)C(=O)Nc1sccc1C#N N#Cc1ccsc1[*:1] COc1ccccc1N[C@@H](C)C(=O)N[*:1]
CCOC(=O)c1ccccc1NC(=O)c1cc2c(=O)oc3ccccc3c2n1CC CCOC(=O)[*:1] CCn1c(cc2c(=O)oc3ccccc3c21)C(=O)Nc1ccccc1[*:1]
NC(=O)[C@]1([NH3+])CCC[C@H]1CCOc1cccc(F)c1F NC(=O)[*:1] [NH3+][C@@]1(CCC[C@H]1CCOc1cccc(F)c1F)[*:1]
Cc1csc(C[S@@](=O)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1csc(C[S@@](=O)[C@@H](C)C(=O)NC[*:1])n1
Cc1csc(C[S@@](=O)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)n1 Cc1csc(n1)[*:1] C[C@@H](C(=O)NCc1ccc(Cl)cc1)[S@](=O)C[*:1]
Cc1csc(C[S@@](=O)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)n1 Cc1csc(C[*:1])n1 C[C@@H](C(=O)NCc1ccc(Cl)cc1)[S@](=O)[*:1]
O=C(NCCOCC1CC1)N1CCO[C@H](c2ccc(F)cc2)C1 C1CC1COC[*:1] O=C(NC[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
O=C(NCCOCC1CC1)N1CCO[C@H](c2ccc(F)cc2)C1 C(C[*:1])OCC1CC1 O=C(N[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
O=C(NCCOCC1CC1)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(NCCOCC1CC1)N1CCO[C@H](C1)[*:1]
O=C(NCCOCC1CC1)N1CCO[C@H](c2ccc(F)cc2)C1 C1CC1[*:1] O=C(NCCOC[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
O=C(NCCOCC1CC1)N1CCO[C@H](c2ccc(F)cc2)C1 C1CC1CO[*:1] O=C(NCC[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
O=C(NCCOCC1CC1)N1CCO[C@H](c2ccc(F)cc2)C1 C1CC1C[*:1] O=C(NCCO[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
CC/C(NCC[NH+](C)C)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] CC/C(NCC[NH+](C)C)=C1/C(=O)NC(=O)N(C1=O)[*:1]
CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nc2sc(C)c(C)c2c1=O C[C@H]1CCCC[C@H]1[*:1] CCn1c(nc2sc(C)c(C)c2c1=O)S[C@H](C)C(=O)N[*:1]
O=C(CCc1ccco1)Nc1ccc(C(=O)NC2CCCCC2)cc1 c1coc(c1)[*:1] O=C(CC[*:1])Nc1ccc(cc1)C(=O)NC1CCCCC1
O=C(CCc1ccco1)Nc1ccc(C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] O=C(CCc1ccco1)Nc1ccc(cc1)C(=O)N[*:1]
O=C(CCc1ccco1)Nc1ccc(C(=O)NC2CCCCC2)cc1 c1coc(c1)C[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)NC1CCCCC1
O=C(CCc1ccco1)Nc1ccc(C(=O)NC2CCCCC2)cc1 c1coc(c1)CC[*:1] O=C(NC1CCCCC1)c1ccc(cc1)NC(=O)[*:1]
CCc1ccc(C[C@@H](O)[C@@H](C)CC)nc1 CC[C@H](C)[*:1] CCc1ccc(C[C@@H](O)[*:1])nc1
COc1ccc(Br)c(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 COc1ccc(Br)c(c1)[*:1] O=C([C@H]1CN(C(=O)[*:1])c2ccccc2O1)N1CCOCC1
COc1ccc(Br)c(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 O=C(N1CCOCC1)[*:1] COc1ccc(Br)c(c1)C(=O)N1C[C@H](Oc2ccccc21)[*:1]
COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]1c1cccnc1 COc1ccc(Cl)cc1[*:1] C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccnc1
COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]1c1cccnc1 c1cncc(c1)[*:1] COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@H]1[*:1]
O=C(NC(NC(=O)c1ccccc1)c1cccc(F)c1)c1ccccc1 Fc1cccc(c1)[*:1] O=C(NC(NC(=O)c1ccccc1)[*:1])c1ccccc1
O=C(NC(NC(=O)c1ccccc1)c1cccc(F)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC(NC(=O)[*:1])c1cccc(F)c1)c1ccccc1
COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-c1n[nH]c(=S)n1CC(=O)N[*:1]
COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1NC(=O)Cn1c(n[nH]c1=S)[*:1]
CCCN1C(=O)N[C@@]2(CCSC2)C1=O CCC[*:1] O=C1N[C@@]2(CCSC2)C(=O)N1[*:1]
Cc1nc(C[C@@H]2CCCN(S(=O)(=O)N3CCC(C(C)(C)C)CC3)C2)no1 CC(C)(C)[*:1] Cc1nc(C[C@@H]2CCCN(C2)S(=O)(=O)N2CCC(CC2)[*:1])no1
Cc1nc(C[C@@H]2CCCN(S(=O)(=O)N3CCC(C(C)(C)C)CC3)C2)no1 Cc1nc(C[*:1])no1 CC(C)(C)C1CCN(CC1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
Cc1nc(C[C@@H]2CCCN(S(=O)(=O)N3CCC(C(C)(C)C)CC3)C2)no1 Cc1nc(no1)[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)N1CCC[C@H](C1)C[*:1]
O=[N+]([O-])c1cc(Cl)ccc1N1CCC(c2nc(-c3ccccn3)no2)CC1 O=[N+]([O-])[*:1] Clc1ccc(c(c1)[*:1])N1CCC(CC1)c1nc(no1)-c1ccccn1
O=[N+]([O-])c1cc(Cl)ccc1N1CCC(c2nc(-c3ccccn3)no2)CC1 c1ccc(nc1)[*:1] O=[N+]([O-])c1cc(Cl)ccc1N1CCC(CC1)c1nc(no1)[*:1]
C#CCNC(=O)COc1ccccc1C#N C#CC[*:1] N#Cc1ccccc1OCC(=O)N[*:1]
CCOC(=O)c1ccc[n+]([C@H](C)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)c1ccc[n+](c1)[C@H](C)C(=O)Nc1ccc(Cl)cc1[*:1]
CCOC(=O)c1ccc[n+]([C@H](C)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 CCOC(=O)[*:1] C[C@H](C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[n+]1cccc(c1)[*:1]
C[C@@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)Nc2ccccc21 c1ccc(cc1)[*:1] C[C@@H](C(=O)[*:1])[C@@]1(O)C(=O)Nc2ccccc21
O=C(CN1CCN(C(=O)c2c[nH]c3cccc(F)c23)CC1)C1CC1 O=C(C1CC1)[*:1] O=C(c1c[nH]c2cccc(F)c12)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)c2c[nH]c3cccc(F)c23)CC1)C1CC1 O=C(C[*:1])C1CC1 O=C(c1c[nH]c2cccc(F)c12)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)c2c[nH]c3cccc(F)c23)CC1)C1CC1 C1CC1[*:1] O=C(c1c[nH]c2cccc(F)c12)N1CCN(CC1)CC(=O)[*:1]
O=C(OCCn1c(=O)oc2ccccc21)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(OCCn1c(=O)oc2ccccc21)c1ccc(cc1)[*:1]
O=C(OCCn1c(=O)oc2ccccc21)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(OCCn1c(=O)oc2ccccc21)c1ccc(cc1)O[*:1]
CNC(=O)[C@H](NC(=O)/C=C/c1cccc(Cl)c1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CNC(=O)[C@H](NC(=O)/C=C/c1cccc(Cl)c1)[*:1]
CNC(=O)[C@H](NC(=O)/C=C/c1cccc(Cl)c1)c1ccc(F)c(F)c1 Clc1cccc(c1)[*:1] CNC(=O)[C@H](NC(=O)C=C[*:1])c1ccc(F)c(F)c1
CNC(=O)[C@H](NC(=O)/C=C/c1cccc(Cl)c1)c1ccc(F)c(F)c1 CNC(=O)[*:1] O=C(/C=C/c1cccc(Cl)c1)N[C@H](c1ccc(F)c(F)c1)[*:1]
Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)c(C#N)cc1C#N Clc1ccc(cc1)[*:1] Cc1nc(SCC(=O)N[*:1])c(C#N)cc1C#N
CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C=O)cc2)n1 CN(C)[*:1] O=Cc1ccc(cc1)-c1cc(cc(n1)[*:1])C(F)(F)F
CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C=O)cc2)n1 FC(F)(F)[*:1] CN(C)c1cc(cc(n1)-c1ccc(C=O)cc1)[*:1]
COc1ccc([C@@H]2OC(=O)N(C)[C@@]2(O)c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@]1(O)[C@@H](OC(=O)N1C)[*:1]
COc1ccc([C@@H]2OC(=O)N(C)[C@@]2(O)c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1OC(=O)N(C)[C@]1(O)[*:1]
O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nc1nc(cs1)-c1ccc(F)cc1F)[*:1]
O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 c1ccc(cc1)N[*:1] O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)c2c(nc([nH]c2=O)[*:1])N1
O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 Clc1ccc(c(Cl)c1)[*:1] O=C1C[C@H](C(=O)N[*:1])c2c(nc(Nc3ccccc3)[nH]c2=O)N1
O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)c2c(nc(N[*:1])[nH]c2=O)N1
Cc1cc(CNc2ccc(S(N)(=O)=O)c(N)c2)on1 NS(=O)(=O)[*:1] Cc1cc(CNc2ccc(c(N)c2)[*:1])on1
Cc1cc(CNc2ccc(S(N)(=O)=O)c(N)c2)on1 Cc1cc(on1)[*:1] Nc1cc(ccc1S(N)(=O)=O)NC[*:1]
CCc1ccc(C[NH+](C)Cc2nc(-c3ccc(F)c(OC)c3)oc2C)cc1 COc1cc(ccc1F)[*:1] CCc1ccc(cc1)C[NH+](C)Cc1nc(oc1C)[*:1]
CCc1ccc(C[NH+](C)Cc2nc(-c3ccc(F)c(OC)c3)oc2C)cc1 CCc1ccc(cc1)[*:1] COc1cc(ccc1F)-c1nc(C[NH+](C)C[*:1])c(C)o1
CCc1ccc(C[NH+](C)Cc2nc(-c3ccc(F)c(OC)c3)oc2C)cc1 CCc1ccc(cc1)C[*:1] COc1cc(ccc1F)-c1nc(C[NH+](C)[*:1])c(C)o1
COC(=O)c1cccc(N[C@H](c2ccccn2)c2ccccc2OC)n1 c1ccc(nc1)[*:1] COC(=O)c1cccc(n1)N[C@H](c1ccccc1OC)[*:1]
COC(=O)c1cccc(N[C@H](c2ccccn2)c2ccccc2OC)n1 COc1ccccc1[*:1] COC(=O)c1cccc(n1)N[C@H](c1ccccn1)[*:1]
COC(=O)c1cccc(N[C@H](c2ccccn2)c2ccccc2OC)n1 COC(=O)[*:1] COc1ccccc1[C@H](Nc1cccc(n1)[*:1])c1ccccn1
CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CO)C2)c1 CC(=O)N[*:1] O=C(CO)N1CCC[C@@H](C1)c1nccnc1-c1cccc(c1)[*:1]
CCN(C(=O)NCCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)C(C)C CC(C)[*:1] CCN(C(=O)NCCC1CCN(CC1)c1cc[nH+]cc1)[C@@H](C)[*:1]
CCN(C(=O)NCCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCN(C(=O)NCCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
C[C@@H]1CC[C@](C#N)(Cc2ccc([N+](=O)[O-])c(F)c2)C1 O=[N+]([O-])[*:1] C[C@@H]1CC[C@](C#N)(Cc2ccc(c(F)c2)[*:1])C1
COCCCNC(=O)c1nn(C)c2c1CN(Cc1nc3ccccc3s1)CC2 COCCCNC(=O)[*:1] Cn1nc(c2CN(CCc21)Cc1nc2ccccc2s1)[*:1]
COCCCNC(=O)c1nn(C)c2c1CN(Cc1nc3ccccc3s1)CC2 COC[*:1] Cn1nc(C(=O)NCC[*:1])c2CN(CCc21)Cc1nc2ccccc2s1
COCCCNC(=O)c1nn(C)c2c1CN(Cc1nc3ccccc3s1)CC2 COCCC[*:1] Cn1nc(C(=O)N[*:1])c2CN(CCc21)Cc1nc2ccccc2s1
COCCCNC(=O)c1nn(C)c2c1CN(Cc1nc3ccccc3s1)CC2 COCC[*:1] Cn1nc(C(=O)NC[*:1])c2CN(CCc21)Cc1nc2ccccc2s1
COCCCNC(=O)c1nn(C)c2c1CN(Cc1nc3ccccc3s1)CC2 c1ccc2sc(nc2c1)[*:1] COCCCNC(=O)c1nn(C)c2CCN(Cc12)C[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2nc3c(c(C)[nH+]2)CCCN3C)C1 Cc1noc(C)c1[*:1] Cc1[nH+]c(nc2c1CCCN2C)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 Fc1ccc(cc1)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc2nc(oc2c1)[*:1]
O=C(NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](CNC(=O)[*:1])CN1c1ccc2OCOc2c1
Cc1c(C(=O)NNc2ccccc2[N+](=O)[O-])oc2ccc(Cl)cc12 O=[N+]([O-])[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)NNc1ccccc1[*:1]
COCCC(=O)NC1CCC([NH+]2CCCCC2)CC1 COC[*:1] O=C(C[*:1])NC1CCC(CC1)[NH+]1CCCCC1
COCCC(=O)NC1CCC([NH+]2CCCCC2)CC1 COCC[*:1] O=C(NC1CCC(CC1)[NH+]1CCCCC1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1nc2ccc(cc2s1)NS(=O)(=O)[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c(C)c1 O=C(N[*:1])c1ccccc1 Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc2nc(sc2c1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc2nc(NC(=O)[*:1])sc2c1
COC(=O)CCCN1C(=O)C(=O)c2cc(C)ccc21 COC(=O)[*:1] Cc1ccc2c(c1)C(=O)C(=O)N2CCC[*:1]
COC(=O)CCCN1C(=O)C(=O)c2cc(C)ccc21 COC(=O)C[*:1] Cc1ccc2c(c1)C(=O)C(=O)N2CC[*:1]
COC(=O)CCCN1C(=O)C(=O)c2cc(C)ccc21 COC(=O)CC[*:1] Cc1ccc2c(c1)C(=O)C(=O)N2C[*:1]
CC(=O)NCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 Cc1cc(C)n(n1)[*:1] CC(=O)NCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CC(=O)NCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 CC(=O)NCC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)NC(=O)[C@@H]1CCCCN1C(=O)[*:1]
CC(=O)NCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 CC(=O)NC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)NC(=O)[C@@H]1CCCCN1C(=O)C[*:1]
CC(=O)NCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 CC(=O)N[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)NC(=O)[C@@H]1CCCCN1C(=O)CC[*:1]
CC[C@H]1CCCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] CC[C@H]1CCCCN1C(=O)[C@H]1CN(CCO1)C[*:1]
CC[C@H]1CCCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] CC[C@H]1CCCCN1C(=O)[C@H]1CN(CCO1)[*:1]
C/C=C(/C)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 CC(C)(C)[*:1] C/C=C(/C)c1nc(no1)C1(CCC1)NC(=O)O[*:1]
C/C=C(/C)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 CC=C(C)[*:1] CC(C)(C)OC(=O)NC1(CCC1)c1noc(n1)[*:1]
Cc1nc(S[C@H]2CC[C@@](CO)([NH2+]C3CC3)C2)nc(C)c1C C1CC1[*:1] Cc1nc(nc(C)c1C)S[C@H]1CC[C@](CO)(C1)[NH2+][*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(OC)cc4)sc3C2)cc1 CCC(=O)N[*:1] COc1ccc(cc1)-c1nc2CCN(Cc2s1)S(=O)(=O)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(OC)cc4)sc3C2)cc1 COc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2nc(sc2C1)[*:1]
O=C([O-])c1ccccc1C1SCCS1 O=C([O-])[*:1] c1ccc(c(c1)C1SCCS1)[*:1]
O=C(NC1CCCCC1)NC1CCN(C(=O)c2ccc[nH]c2=O)CC1 C1CCC(CC1)[*:1] O=C(NC1CCN(CC1)C(=O)c1ccc[nH]c1=O)N[*:1]
O=C(NC1CCCCC1)NC1CCN(C(=O)c2ccc[nH]c2=O)CC1 O=c1[nH]cccc1[*:1] O=C(NC1CCCCC1)NC1CCN(CC1)C(=O)[*:1]
Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(C(=O)[C@H]2CCOC2)CC1 Cc1cc(F)ccc1[*:1] O=C([C@H]1CCOC1)N1CCC(CC1)(O[*:1])C(=O)[O-]
Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(C(=O)[C@H]2CCOC2)CC1 C1C[C@@H](CO1)[*:1] Cc1cc(F)ccc1OC1(CCN(CC1)C(=O)[*:1])C(=O)[O-]
Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(C(=O)[C@H]2CCOC2)CC1 O=C([O-])[*:1] Cc1cc(F)ccc1OC1(CCN(CC1)C(=O)[C@H]1CCOC1)[*:1]
C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)c1ccccc1F Fc1ccccc1[*:1] C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)[*:1]
CC[C@H](CCO)NC(=O)Nc1cccc(COC)c1 CC[C@H](CCO)[*:1] COCc1cccc(c1)NC(=O)N[*:1]
CC[C@H](CCO)NC(=O)Nc1cccc(COC)c1 COC[*:1] CC[C@H](CCO)NC(=O)Nc1cccc(c1)[*:1]
CC[C@H](CCO)NC(=O)Nc1cccc(COC)c1 OCC[*:1] CC[C@H](NC(=O)Nc1cccc(c1)COC)[*:1]
Cc1nncn1CCn1ncc2ccccc2c1=O Cc1nncn1[*:1] O=c1c2ccccc2cnn1CC[*:1]
Cc1cc(OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])OCC(=O)N(C)CC(=O)Nc1ccccc1Cl
Cc1cc(OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)ccc1[N+](=O)[O-] Clc1ccccc1[*:1] Cc1cc(ccc1[N+](=O)[O-])OCC(=O)N(C)CC(=O)N[*:1]
CC(C)(C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccs1 c1ccc(cc1)C[*:1] CC(C)(C(=O)NC[C@@H]1CC(=O)N(C1)[*:1])c1cccs1
CC(C)(C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccs1 CC(C)(c1cccs1)[*:1] O=C1C[C@@H](CNC(=O)[*:1])CN1Cc1ccccc1
CC(C)(C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccs1 c1csc(c1)[*:1] CC(C)(C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[*:1]
CC(C)(C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccs1 c1ccc(cc1)[*:1] CC(C)(C(=O)NC[C@@H]1CC(=O)N(C1)C[*:1])c1cccs1
COc1ccc(CC(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)CC(=O)NCCc1csc2nc(nn12)[*:1]
COc1ccc(CC(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])NCCc1csc2nc(nn12)-c1cccc(F)c1
COc1ccc(CC(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 COc1ccc(cc1)C[*:1] O=C(NCCc1csc2nc(nn12)-c1cccc(F)c1)[*:1]
COc1ccc(OC)c(CCC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CCC(=O)N[C@@H]1C[C@H](C)N(C1)[*:1]
CC[C@@](C)([C@H](N)Cc1ccsc1)[NH+]1CCCC1 c1cc(cs1)[*:1] CC[C@@](C)([C@H](N)C[*:1])[NH+]1CCCC1
Cc1ccnc(Nc2nc(CC(=O)Nc3ccc(-n4cnnn4)cc3)cs2)c1 c1nnnn1[*:1] Cc1ccnc(c1)Nc1nc(cs1)CC(=O)Nc1ccc(cc1)[*:1]
Cc1ccnc(Nc2nc(CC(=O)Nc3ccc(-n4cnnn4)cc3)cs2)c1 Cc1ccnc(c1)N[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc(cc1)-n1cnnn1
Cc1ccnc(Nc2nc(CC(=O)Nc3ccc(-n4cnnn4)cc3)cs2)c1 Cc1ccnc(c1)[*:1] O=C(Cc1csc(n1)N[*:1])Nc1ccc(cc1)-n1cnnn1
CCC[NH2+]C[C@H]1CCO[C@@H]1c1cc(C)ccc1C CCC[*:1] Cc1ccc(C)c(c1)[C@H]1OCC[C@@H]1C[NH2+][*:1]
Cc1ccc(F)c(S(=O)(=O)NCc2cscn2)c1 c1nc(cs1)[*:1] Cc1ccc(F)c(c1)S(=O)(=O)NC[*:1]
Cc1ccc(F)c(S(=O)(=O)NCc2cscn2)c1 c1nc(cs1)C[*:1] Cc1ccc(F)c(c1)S(=O)(=O)N[*:1]
Cc1cc(C)c2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc2c1 O=[N+]([O-])[*:1] Cc1cc(C)c2sc(nc2c1)NC(=O)c1ccccc1[*:1]
CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ClC(Cl)=C[*:1] CC1(C)[C@H](C(=O)N2CC[NH+](CC2)Cc2ccc3OCOc3c2)[C@H]1[*:1]
CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CC[NH+](CC1)C[*:1]
CCc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1 c1coc(c1)C[*:1] CCc1ccc(cc1)/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1[*:1]
CCc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)/N=C1\S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1C[*:1]
CCc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1 O=C(Nc1ccc(F)cc1F)[*:1] CCc1ccc(cc1)/N=C1\S[C@H](C[*:1])C(=O)N1Cc1ccco1
CCc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1 CCc1ccc(cc1)[*:1] O=C(C[C@H]1SC(=N[*:1])N(Cc2ccco2)C1=O)Nc1ccc(F)cc1F
CCc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccco2)cc1 Fc1ccc(c(F)c1)[*:1] CCc1ccc(cc1)/N=C1\S[C@H](CC(=O)N[*:1])C(=O)N1Cc1ccco1
C[C@@H](OC(=O)CSc1nnnn1C)c1ccc(C#N)cc1 Cn1nnnc1[*:1] C[C@@H](OC(=O)CS[*:1])c1ccc(C#N)cc1
C[C@@H](OC(=O)CSc1nnnn1C)c1ccc(C#N)cc1 Cn1nnnc1S[*:1] C[C@@H](OC(=O)C[*:1])c1ccc(C#N)cc1
Cc1cc([C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c(NC(=O)c2ccco2)s1 C1CN(CCO1)[*:1] Cc1cc(c(NC(=O)c2ccco2)s1)[C@H](c1ccc(Cl)cc1Cl)[*:1]
Cc1cc([C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c(NC(=O)c2ccco2)s1 c1coc(c1)[*:1] Cc1cc(c(NC(=O)[*:1])s1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1
Cc1cc([C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c(NC(=O)c2ccco2)s1 Clc1ccc(c(Cl)c1)[*:1] Cc1cc(c(NC(=O)c2ccco2)s1)[C@H](N1CCOCC1)[*:1]
Cc1cc([C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)c(NC(=O)c2ccco2)s1 O=C(N[*:1])c1ccco1 Cc1cc(c(s1)[*:1])[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1
c1cc(CN2CCN(c3cnn4cnnc4c3)CC2)co1 c1cc(co1)C[*:1] c1nn2cnnc2cc1N1CCN(CC1)[*:1]
c1cc(CN2CCN(c3cnn4cnnc4c3)CC2)co1 c1cc(co1)[*:1] c1nn2cnnc2cc1N1CCN(CC1)C[*:1]
CCCN1C(N)=[NH+]C[C@@]12CCCS(=O)(=O)C2 CCC[*:1] NC1=[NH+]C[C@@]2(CCCS(=O)(=O)C2)N1[*:1]
FC(F)(F)c1ccc(C(F)(F)CBr)cc1 FC(F)(CBr)[*:1] FC(F)(F)c1ccc(cc1)[*:1]
FC(F)(F)c1ccc(C(F)(F)CBr)cc1 FC(F)(F)[*:1] FC(F)(CBr)c1ccc(cc1)[*:1]
CC(C)c1nn(-c2ccccc2)cc1CN1CCS[C@H]2COCC[C@@H]21 CC(C)[*:1] c1ccc(cc1)-n1cc(CN2CCS[C@H]3COCC[C@@H]32)c(n1)[*:1]
CC(C)c1nn(-c2ccccc2)cc1CN1CCS[C@H]2COCC[C@@H]21 c1ccc(cc1)[*:1] CC(C)c1nn(cc1CN1CCS[C@H]2COCC[C@@H]21)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 c1cnn(c1)[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])C(=O)Nc1ccc(c(Cl)c1)-n1cccn1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 CC(C)(C)OC(=O)N[*:1] C[C@@H](C(=O)Nc1ccc(c(Cl)c1)-n1cccn1)[*:1]
CCN(Cc1ccncc1)c1cccc(F)c1/C(N)=N/O N/C(=N\O)[*:1] CCN(Cc1ccncc1)c1cccc(F)c1[*:1]
CCN(Cc1ccncc1)c1cccc(F)c1/C(N)=N/O c1cc(ccn1)[*:1] CCN(C[*:1])c1cccc(F)c1/C(N)=N/O
CCN(Cc1ccncc1)c1cccc(F)c1/C(N)=N/O c1cc(ccn1)C[*:1] CCN(c1cccc(F)c1/C(N)=N/O)[*:1]
Cc1c(C(=O)OC(C)C)cnc2nc(SCC#N)nn12 CC(C)[*:1] Cc1c(cnc2nc(nn12)SCC#N)C(=O)O[*:1]
Cc1c(C(=O)OC(C)C)cnc2nc(SCC#N)nn12 CC(C)OC(=O)[*:1] Cc1c(cnc2nc(nn12)SCC#N)[*:1]
Cc1c(C(=O)OC(C)C)cnc2nc(SCC#N)nn12 N#CC[*:1] Cc1c(cnc2nc(nn12)S[*:1])C(=O)OC(C)C
Cc1c(C(=O)OC(C)C)cnc2nc(SCC#N)nn12 N#CCS[*:1] Cc1c(cnc2nc(nn12)[*:1])C(=O)OC(C)C
COCc1cc(CNC2CC[NH+](CC(C)C)CC2)n[nH]1 CC(C)C[*:1] COCc1cc(CNC2CC[NH+](CC2)[*:1])n[nH]1
COCc1cc(CNC2CC[NH+](CC(C)C)CC2)n[nH]1 COC[*:1] CC(C)C[NH+]1CCC(CC1)NCc1cc([nH]n1)[*:1]
COCc1cc(CNC2CC[NH+](CC(C)C)CC2)n[nH]1 CC(C)[*:1] COCc1cc(CNC2CC[NH+](CC2)C[*:1])n[nH]1
CCOC(=O)c1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1 C1CN(CCO1)[*:1] CCOC(=O)c1ccc(cc1)Nc1cc(C)nc(n1)[*:1]
CCOC(=O)c1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1 CCOC(=O)[*:1] Cc1cc(nc(n1)N1CCOCC1)Nc1ccc(cc1)[*:1]
CC(C)N(C)C(=O)[C@@H](C)S(=O)(=O)c1ccccc1 CC(C)[*:1] C[C@H](C(=O)N(C)[*:1])S(=O)(=O)c1ccccc1
CC(C)N(C)C(=O)[C@@H](C)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C)C(=O)[C@@H](C)S(=O)(=O)[*:1]
O=[N+]([O-])c1ccc(NCCCc2nnc3n2CCCCC3)cc1 O=[N+]([O-])[*:1] c1cc(ccc1NCCCc1nnc2CCCCCn21)[*:1]
Cn1nnnc1SCC(=O)N1CCOCC1(C)C Cn1nnnc1[*:1] CC1(C)COCCN1C(=O)CS[*:1]
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc1 C1CN(CCO1)[*:1] CC(C)(C)c1ccc(cc1)OCC(=O)N/N=C/c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc1 CC(C)(C)[*:1] O=C(COc1ccc(cc1)[*:1])N/N=C/c1ccc(cc1)N1CCOCC1
C[n+]1ccc(/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] C[n+]1ccc(/C=C/c2cc(cc(-c3ccccc3)[n+]2[*:1])-c2ccccc2)cc1
C[n+]1ccc(/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] C[n+]1ccc(/C=C/c2cc(cc(-c3ccccc3)[n+]2C[*:1])-c2ccccc2)cc1
C[n+]1ccc(/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] C[n+]1ccc(/C=C/c2cc(cc([n+]2Cc2ccccc2)[*:1])-c2ccccc2)cc1
C[n+]1ccc(/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] C[n+]1ccc(/C=C/c2cc(cc(-c3ccccc3)[n+]2Cc2ccccc2)[*:1])cc1
C[n+]1ccc(/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2Cc2ccccc2)cc1 C[n+]1ccc(cc1)[*:1] C(=C[*:1])c1cc(cc(-c2ccccc2)[n+]1Cc1ccccc1)-c1ccccc1
CCC(CC)(NC(=O)N[C@H](C)C1CC1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)N[C@H](C)C1CC1)[*:1]
CCC(CC)(NC(=O)N[C@H](C)C1CC1)C(=O)[O-] C1CC1[*:1] CCC(CC)(NC(=O)N[C@H](C)[*:1])C(=O)[O-]
CCC(CC)(NC(=O)N[C@H](C)C1CC1)C(=O)[O-] C[C@H](C1CC1)[*:1] CCC(CC)(NC(=O)N[*:1])C(=O)[O-]
CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 c1coc(c1)[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
COc1ccc(NC(=O)N[C@H](C)CSC)cc1C CSC[*:1] COc1ccc(cc1C)NC(=O)N[C@H](C)[*:1]
O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc(c(Cl)c1)[*:1]
O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc(O[*:1])c(Cl)c1
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CC(=O)N(C)C)CC(F)(F)F)o1 FC(F)(F)[*:1] C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CC(=O)N(C)C)C[*:1])o1
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CC(=O)N(C)C)CC(F)(F)F)o1 FC(F)(F)C[*:1] C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CC(=O)N(C)C)[*:1])o1
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CC(=O)N(C)C)CC(F)(F)F)o1 CN(C)C(=O)[*:1] C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CC(F)(F)F)C[*:1])o1
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CC(=O)N(C)C)CC(F)(F)F)o1 CN(C)C(=O)C[*:1] C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CC(F)(F)F)[*:1])o1
CN(C(=O)NC[C@@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CN(C(=O)NC[C@@H]1Cc2ccccc2O1)[*:1]
CC(=O)[C@@]1(C)N(O)C(C)(C)C(c2cccs2)=[N+]1[O-] c1csc(c1)[*:1] CC(=O)[C@@]1(C)N(O)C(C)(C)C(=[N+]1[O-])[*:1]
CC(=O)[C@@]1(C)N(O)C(C)(C)C(c2cccs2)=[N+]1[O-] CC(=O)[*:1] CC1(C)C(c2cccs2)=[N+]([O-])[C@@](C)(N1O)[*:1]
C[C@H](COc1ccc(F)cc1)NC(=O)C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](COc1ccc(F)cc1)NC(=O)C[C@@H](O)[*:1]
C[C@H](COc1ccc(F)cc1)NC(=O)C[C@@H](O)c1ccccc1 Fc1ccc(cc1)[*:1] C[C@H](CO[*:1])NC(=O)C[C@@H](O)c1ccccc1
C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccccn1 C[C@@H](c1ccccn1)[*:1] O=C(N[*:1])c1ccc2C(=O)O[C@@H](Cc2c1)c1ccccc1
C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccccn1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc2C(=O)O[C@H](Cc2c1)[*:1])c1ccccn1
C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)c1ccc2C(=O)O[C@@H](Cc2c1)c1ccccc1)[*:1]
C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(F)cc1F Brc1ccc(cc1)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(F)cc1F
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)s1 C1CCC(C1)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)s1 C1CCC(C1)C[*:1] Cc1ccc(s1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)s1 Cc1ccc(s1)[*:1] O=C(CC1CCCC1)N1CCN(CC1)S(=O)(=O)[*:1]
CCc1cccc(NC(=O)CNS(=O)(=O)c2cc(Cl)ccc2C)c1 CCc1cccc(c1)[*:1] Cc1ccc(Cl)cc1S(=O)(=O)NCC(=O)N[*:1]
CCc1cccc(NC(=O)CNS(=O)(=O)c2cc(Cl)ccc2C)c1 Cc1ccc(Cl)cc1[*:1] CCc1cccc(c1)NC(=O)CNS(=O)(=O)[*:1]
CC(C)CNC(=S)Nc1cccnc1 CC(C)C[*:1] S=C(Nc1cccnc1)N[*:1]
CC(C)CNC(=S)Nc1cccnc1 CC(C)[*:1] S=C(NC[*:1])Nc1cccnc1
COc1ccccc1OS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O COc1ccccc1[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)O[*:1]
Cn1cnc(CNC(=O)NCc2cccc(-c3ccccn3)c2)n1 Cn1cnc(C[*:1])n1 O=C(NCc1cccc(c1)-c1ccccn1)N[*:1]
Cn1cnc(CNC(=O)NCc2cccc(-c3ccccn3)c2)n1 Cn1cnc(n1)[*:1] O=C(NCc1cccc(c1)-c1ccccn1)NC[*:1]
Cn1cnc(CNC(=O)NCc2cccc(-c3ccccn3)c2)n1 c1ccc(nc1)[*:1] Cn1cnc(CNC(=O)NCc2cccc(c2)[*:1])n1
CC(C)CCC[C@@H](C)NC(=O)Nc1nncs1 c1nnc(s1)[*:1] CC(C)CCC[C@@H](C)NC(=O)N[*:1]
CC(C)CCC[C@@H](C)NC(=O)Nc1nncs1 CC(C)CC[*:1] C[C@H](C[*:1])NC(=O)Nc1nncs1
CC(C)CCC[C@@H](C)NC(=O)Nc1nncs1 CC(C)[*:1] C[C@H](CCC[*:1])NC(=O)Nc1nncs1
CC(C)CCC[C@@H](C)NC(=O)Nc1nncs1 CC(C)C[*:1] C[C@H](CC[*:1])NC(=O)Nc1nncs1
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] O=C(Cn1cnc(n1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(SC(F)F)cc1 O=[N+]([O-])[*:1] O=C(Cn1cnc(n1)[*:1])Nc1ccc(cc1)SC(F)F
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] O=C(Cn1cnc(n1)[N+](=O)[O-])Nc1ccc(cc1)S[*:1]
Cc1cc(F)ccc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 c1csc(c1)[*:1] Cc1cc(F)ccc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
Cc1cc(F)ccc1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 Cc1cc(F)ccc1[*:1] O=S(=O)(c1cccs1)N1CCOC12CCN(CC2)S(=O)(=O)[*:1]
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)Nc1ncnc2ccccc12 O=C([O-])[*:1] c1ccc2c(ncnc2c1)N[C@H](Cc1c[nH]c2ccccc12)[*:1]
CC(C)(C)c1ccc2c(c1)[C@@](O)(c1ccccc1)[C@@H]1O[C@]1(C(C)(C)C)C2=O CC(C)(C)[*:1] CC(C)(C)[C@]12O[C@H]1[C@](O)(c1ccccc1)c1cc(ccc1C2=O)[*:1]
CC(C)(C)c1ccc2c(c1)[C@@](O)(c1ccccc1)[C@@H]1O[C@]1(C(C)(C)C)C2=O c1ccc(cc1)[*:1] CC(C)(C)c1ccc2C(=O)[C@]3(O[C@H]3[C@](O)(c2c1)[*:1])C(C)(C)C
CC(C)(C)c1ccc2c(c1)[C@@](O)(c1ccccc1)[C@@H]1O[C@]1(C(C)(C)C)C2=O CC(C)(C)[*:1] CC(C)(C)c1ccc2C(=O)[C@]3(O[C@H]3[C@](O)(c3ccccc3)c2c1)[*:1]
COc1cccc(CN2CC3(CCN(Cc4[nH]cc[nH+]4)CC3)CC2=O)c1 COc1cccc(c1)[*:1] O=C1CC2(CCN(CC2)Cc2[nH]cc[nH+]2)CN1C[*:1]
C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 C#CCNC(=O)[*:1] Cc1ccc(cc1Cl)NC(=O)N1CCN(CC1)[C@H](C)[*:1]
C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 Cc1ccc(cc1Cl)[*:1] C#CCNC(=O)[C@@H](C)N1CCN(CC1)C(=O)N[*:1]
C#CCNC(=O)[C@@H](C)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 C#CC[*:1] Cc1ccc(cc1Cl)NC(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
O=C(c1cc[nH]c(=O)c1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] O=C(c1cc[nH]c(=O)c1)N1CC[C@H](C1)Oc1ccc(cn1)[*:1]
O=C(c1cc[nH]c(=O)c1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 O=c1cc(cc[nH]1)[*:1] O=C(N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c(F)c1 Fc1ccc(cc1)[*:1] COc1ccc(CN2CCC[C@H](C2)c2n[nH]cc2[*:1])c(F)c1
COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c(F)c1 COc1ccc(c(F)c1)[*:1] Fc1ccc(cc1)-c1c[nH]nc1[C@@H]1CCCN(C1)C[*:1]
COc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)/C=C/c2cccc(c2)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])c(c1)[*:1]
Clc1ccc(-c2nnc(C[NH+]3CCC(CN4CCOCC4)CC3)o2)cc1 C1CN(CCO1)C[*:1] Clc1ccc(cc1)-c1nnc(C[NH+]2CCC(CC2)[*:1])o1
Clc1ccc(-c2nnc(C[NH+]3CCC(CN4CCOCC4)CC3)o2)cc1 Clc1ccc(cc1)[*:1] C1CN(CCO1)CC1CC[NH+](CC1)Cc1nnc(o1)[*:1]
Clc1ccc(-c2nnc(C[NH+]3CCC(CN4CCOCC4)CC3)o2)cc1 C1CN(CCO1)[*:1] Clc1ccc(cc1)-c1nnc(C[NH+]2CCC(CC2)C[*:1])o1
CCOc1ccccc1C(=O)NC1C(C)(C)C([NH3+])C1(C)C CCO[*:1] CC1(C)C([NH3+])C(C)(C)C1NC(=O)c1ccccc1[*:1]
O=C([O-])[C@H](CCC(F)(F)F)Cc1ccccc1 O=C([O-])[*:1] FC(F)(F)CC[C@H](Cc1ccccc1)[*:1]
O=C([O-])[C@H](CCC(F)(F)F)Cc1ccccc1 FC(F)(F)C[*:1] O=C([O-])[C@@H](Cc1ccccc1)C[*:1]
O=C([O-])[C@H](CCC(F)(F)F)Cc1ccccc1 FC(F)(F)[*:1] O=C([O-])[C@H](CC[*:1])Cc1ccccc1
Cc1cc(S(=O)(=O)NC[C@@H]2CCOC2)ccc1Br C1C[C@H](CO1)C[*:1] Cc1cc(ccc1Br)S(=O)(=O)N[*:1]
Cc1cc(S(=O)(=O)NC[C@@H]2CCOC2)ccc1Br C1C[C@H](CO1)[*:1] Cc1cc(ccc1Br)S(=O)(=O)NC[*:1]
COc1ccccc1[C@H](NC(=O)CCn1cncn1)c1nccn1C c1ncn(n1)[*:1] COc1ccccc1[C@H](NC(=O)CC[*:1])c1nccn1C
COc1ccccc1[C@H](NC(=O)CCn1cncn1)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@H](NC(=O)CCn1cncn1)[*:1]
COc1ccccc1[C@H](NC(=O)CCn1cncn1)c1nccn1C COc1ccccc1[*:1] Cn1ccnc1[C@@H](NC(=O)CCn1cncn1)[*:1]
COc1ccccc1[C@H](NC(=O)CCn1cncn1)c1nccn1C c1ncn(C[*:1])n1 COc1ccccc1[C@H](NC(=O)C[*:1])c1nccn1C
COc1ccccc1[C@H](NC(=O)CCn1cncn1)c1nccn1C c1ncn(CC[*:1])n1 COc1ccccc1[C@H](NC(=O)[*:1])c1nccn1C
Cc1cccc(C)c1OCC(=O)NC[C@H](C1CC1)[NH+](C)C C1CC1[*:1] Cc1cccc(C)c1OCC(=O)NC[C@H]([NH+](C)C)[*:1]
COC(=O)c1c(O)cccc1CCc1ccc2ccccc2c1 COC(=O)[*:1] Oc1cccc(CCc2ccc3ccccc3c2)c1[*:1]
CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(Cl)c2)[C@@H](C#N)C(=O)N3)CC1 Clc1cccc(c1)[*:1] CC1CCN(CC1)c1nc2NC(=O)[C@H](C#N)[C@@H](c2c(=O)[nH]1)[*:1]
CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccc(Cl)c2)[C@@H](C#N)C(=O)N3)CC1 CC1CCN(CC1)[*:1] N#C[C@H]1C(=O)Nc2nc([nH]c(=O)c2[C@@H]1c1cccc(Cl)c1)[*:1]
Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1cccc(c1)-c1noc(n1)C1CCC1
Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1 C1CC(C1)c1nc(no1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1 C1CC(C1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H]1CC(=O)N(C1)c1cccc(c1)-c1noc(n1)[*:1]
CCOC(=O)C1CCN(C(=O)Cn2cnc(-c3ccc(F)cc3)cc2=O)CC1 CCOC(=O)[*:1] O=C(Cn1cnc(cc1=O)-c1ccc(F)cc1)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(C(=O)Cn2cnc(-c3ccc(F)cc3)cc2=O)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)Cn1cnc(cc1=O)[*:1]
CSc1ccc(Cl)cc1NCc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CSc1ccc(Cl)cc1NCc1ncn(n1)[*:1]
Cc1cncc(NC(=O)C(=O)NCCOc2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] Cc1cncc(c1)NC(=O)C(=O)NCCO[*:1]
Cc1cncc(NC(=O)C(=O)NCCOc2ccc(F)c(F)c2)c1 Cc1cncc(c1)[*:1] O=C(NCCOc1ccc(F)c(F)c1)C(=O)N[*:1]
O=C(NCC[C@@H](O)C1CC1)C(=O)Nc1ccc(F)c(F)c1 O[C@@H](C1CC1)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(F)c(F)c1
O=C(NCC[C@@H](O)C1CC1)C(=O)Nc1ccc(F)c(F)c1 C1CC1[*:1] O=C(NCC[C@@H](O)[*:1])C(=O)Nc1ccc(F)c(F)c1
COc1ccccc1-c1cc(C(=O)NCC#CCOc2ccc(F)cc2F)[nH]n1 Fc1ccc(O[*:1])c(F)c1 COc1ccccc1-c1cc([nH]n1)C(=O)NCC#CC[*:1]
COc1ccccc1-c1cc(C(=O)NCC#CCOc2ccc(F)cc2F)[nH]n1 COc1ccccc1[*:1] O=C(NCC#CCOc1ccc(F)cc1F)c1cc(n[nH]1)[*:1]
COc1ccccc1-c1cc(C(=O)NCC#CCOc2ccc(F)cc2F)[nH]n1 Fc1ccc(c(F)c1)[*:1] COc1ccccc1-c1cc([nH]n1)C(=O)NCC#CCO[*:1]
CC(C)CCOCCN1CCc2cc(S(N)(=O)=O)ccc21 CC(C)CCO[*:1] NS(=O)(=O)c1ccc2c(c1)CCN2CC[*:1]
CC(C)CCOCCN1CCc2cc(S(N)(=O)=O)ccc21 CC(C)CCOC[*:1] NS(=O)(=O)c1ccc2c(c1)CCN2C[*:1]
CC(C)CCOCCN1CCc2cc(S(N)(=O)=O)ccc21 CC(C)[*:1] NS(=O)(=O)c1ccc2c(c1)CCN2CCOCC[*:1]
CC(C)CCOCCN1CCc2cc(S(N)(=O)=O)ccc21 CC(C)CC[*:1] NS(=O)(=O)c1ccc2c(c1)CCN2CCO[*:1]
CC(C)CCOCCN1CCc2cc(S(N)(=O)=O)ccc21 CC(C)C[*:1] NS(=O)(=O)c1ccc2c(c1)CCN2CCOC[*:1]
CC(C)CCOCCN1CCc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CC(C)CCOCCN1CCc2cc(ccc21)[*:1]
O=C(NCCc1nnc2n1CCCCC2)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NCCc1nnc2CCCCCn21)[*:1]
Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc(C(F)(F)F)cc3)C2)n1 Cc1noc(n1)[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)N1CCC[C@H](C1)[*:1]
Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc(C(F)(F)F)cc3)C2)n1 FC(F)(F)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C(=O)NCc1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cn1 FC(F)(F)[*:1] Cc1ccc(cn1)CNC(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1
Cc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cn1 Cc1ccc(cn1)C[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)N[*:1]
Cc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cn1 Cc1ccc(cn1)[*:1] O=C(NC[*:1])N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1
Cc1ccc(CNC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cn1 C1CC1[*:1] Cc1ccc(cn1)CNC(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
Cn1ccnc(NC(=O)c2ccnc(OC3CCCCC3)c2)c1=O C1CCC(CC1)[*:1] Cn1ccnc(NC(=O)c2ccnc(c2)O[*:1])c1=O
Cn1ccnc(NC(=O)c2ccnc(OC3CCCCC3)c2)c1=O C1CCC(CC1)O[*:1] Cn1ccnc(NC(=O)c2ccnc(c2)[*:1])c1=O
Cn1ccnc(NC(=O)c2ccnc(OC3CCCCC3)c2)c1=O Cn1ccnc(c1=O)[*:1] O=C(N[*:1])c1ccnc(c1)OC1CCCCC1
O=[N+]([O-])c1cccc(-c2nc(Br)c3ccccn23)c1 O=[N+]([O-])[*:1] Brc1nc(-c2cccc(c2)[*:1])n2ccccc12
CC(C)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)c1 N#Cc1ccc(cc1)[*:1] CC(C)c1cccc(c1)NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CC(C)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)c1 CC(C)c1cccc(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(C#N)cc1
CC(C)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)c1 CC(C)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2cccc(c2)[*:1])C1=O)c1ccc(C#N)cc1
CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccnc2Cl)C1(C)C CCO[*:1] CC1(C)[C@@H](C[C@H]1[*:1])NC(=O)C(=O)Nc1cccnc1Cl
CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccnc2Cl)C1(C)C Clc1ncccc1[*:1] CCO[C@@H]1C[C@@H](NC(=O)C(=O)N[*:1])C1(C)C
COc1cccc(/C=N/c2ccc3[nH]nc(C(N)=O)c3c2)c1O NC(=O)[*:1] COc1cccc(/C=N/c2ccc3[nH]nc(c3c2)[*:1])c1O
C[C@@H](CC#N)N(C)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 N#CC[*:1] C[C@@H](N(C)C(=O)Nc1ccnc(c1)Oc1ccccc1Cl)[*:1]
C[C@@H](CC#N)N(C)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 Clc1ccccc1[*:1] C[C@@H](CC#N)N(C)C(=O)Nc1ccnc(c1)O[*:1]
C[C@@H](CC#N)N(C)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 Clc1ccccc1O[*:1] C[C@@H](CC#N)N(C)C(=O)Nc1ccnc(c1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)Cc1cn2ccsc2n1 CNC(=O)[*:1] C[C@@H](CN(C)C(=O)Cc1cn2ccsc2n1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)Cc1cn2ccsc2n1 CNC(=O)[C@@H](C)[*:1] CN(C[*:1])C(=O)Cc1cn2ccsc2n1
O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCOCC1 c1ccc(cc1)[*:1] O=S(=O)(c1nc(oc1N1CCOCC1)-c1ccccc1)[*:1]
O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCOCC1 C1CN(CCO1)[*:1] O=S(=O)(c1ccccc1)c1nc(oc1[*:1])-c1ccccc1
O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCOCC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)c1nc(oc1N1CCOCC1)[*:1]
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(Cl)n2Cc1ccccc1 c1ccc(cc1)[*:1] Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(Cl)n2C[*:1]
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(Cl)n2Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(Cl)n2[*:1]
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(Cl)n2Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1c(=O)n(c(=O)c2c1nc(Cl)n2Cc1ccccc1)[*:1]
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(Cl)n2Cc1ccccc1 c1ccc(cc1)[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc(Cl)n2Cc1ccccc1
COCc1ccc(CN(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)o1 COC[*:1] O=S1(=O)CC[C@H](C1)N(Cc1ccc(o1)[*:1])Cc1ccccc1F
COCc1ccc(CN(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)o1 Fc1ccccc1C[*:1] COCc1ccc(CN([C@@H]2CCS(=O)(=O)C2)[*:1])o1
COCc1ccc(CN(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)o1 Fc1ccccc1[*:1] COCc1ccc(CN(C[*:1])[C@@H]2CCS(=O)(=O)C2)o1
COCc1ccc(CN(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)o1 COCc1ccc(o1)[*:1] O=S1(=O)CC[C@H](C1)N(Cc1ccccc1F)C[*:1]
C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO O=C(CO)[*:1] C[C@]12C[C@@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)[*:1]
CCCC(=O)N(CCN1CCOCC1)c1nc2ccccc2s1 C1CN(CCO1)[*:1] CCCC(=O)N(CC[*:1])c1nc2ccccc2s1
CCCC(=O)N(CCN1CCOCC1)c1nc2ccccc2s1 C1CN(CCO1)C[*:1] CCCC(=O)N(C[*:1])c1nc2ccccc2s1
CCCC(=O)N(CCN1CCOCC1)c1nc2ccccc2s1 CCC[*:1] O=C(N(CCN1CCOCC1)c1nc2ccccc2s1)[*:1]
Cc1nc(NCc2ccccc2F)ncc1C(=O)N1CCCCCCC1 Fc1ccccc1C[*:1] Cc1nc(ncc1C(=O)N1CCCCCCC1)N[*:1]
Cc1nc(NCc2ccccc2F)ncc1C(=O)N1CCCCCCC1 Fc1ccccc1[*:1] Cc1nc(ncc1C(=O)N1CCCCCCC1)NC[*:1]
NC(=O)[C@H]1CCN(C(=O)Nc2cccnc2Oc2ccccc2)C1 NC(=O)[*:1] O=C(Nc1cccnc1Oc1ccccc1)N1CC[C@@H](C1)[*:1]
NC(=O)[C@H]1CCN(C(=O)Nc2cccnc2Oc2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CCN(C1)C(=O)Nc1cccnc1O[*:1]
NC(=O)[C@H]1CCN(C(=O)Nc2cccnc2Oc2ccccc2)C1 c1ccc(cc1)O[*:1] NC(=O)[C@H]1CCN(C1)C(=O)Nc1cccnc1[*:1]
CO[C@@H]1CCCN(C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)C1 C1CN(CCO1)[*:1] CO[C@@H]1CCCN(C1)C(=O)NC[C@H](c1cccc(C)c1)[*:1]
CO[C@@H]1CCCN(C(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)C1 Cc1cccc(c1)[*:1] CO[C@@H]1CCCN(C1)C(=O)NC[C@H](N1CCOCC1)[*:1]
O=C(N[C@@H](CO)c1ccco1)[C@@H]1CCOc2ccccc21 c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])[C@@H]1CCOc2ccccc21
O=C(Nc1ccc(-n2cnnn2)cc1)c1ccsc1 c1cc(cs1)[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)[*:1]
O=C(Nc1ccc(-n2cnnn2)cc1)c1ccsc1 c1nnnn1[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccsc1
Cc1sc2nc(SCC(=O)N(CC#N)c3ccccc3)n(C)c(=O)c2c1C N#CC[*:1] Cc1sc2nc(SCC(=O)N(c3ccccc3)[*:1])n(C)c(=O)c2c1C
Cc1sc2nc(SCC(=O)N(CC#N)c3ccccc3)n(C)c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2nc(SCC(=O)N(CC#N)[*:1])n(C)c(=O)c2c1C
C[C@H](C(=O)OCc1cnn(C)c1)c1ccc(Cl)s1 Cn1cc(cn1)[*:1] C[C@H](C(=O)OC[*:1])c1ccc(Cl)s1
C[C@H](C(=O)OCc1cnn(C)c1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](C(=O)OCc1cnn(C)c1)[*:1]
COCc1[nH]n(CCCOc2ccccc2)c(=O)c1Br COC[*:1] O=c1c(Br)c([nH]n1CCCOc1ccccc1)[*:1]
COCc1[nH]n(CCCOc2ccccc2)c(=O)c1Br c1ccc(cc1)[*:1] COCc1[nH]n(CCCO[*:1])c(=O)c1Br
C=C1c2ccccc2C(=O)N1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1cc(C(=O)OCCCC(N)=O)nn1C NC(=O)C[*:1] Cc1cc(nn1C)C(=O)OCC[*:1]
Cc1cc(C(=O)OCCCC(N)=O)nn1C NC(=O)[*:1] Cc1cc(nn1C)C(=O)OCCC[*:1]
Cc1cc(C(=O)OCCCC(N)=O)nn1C NC(=O)CC[*:1] Cc1cc(nn1C)C(=O)OC[*:1]
CC1(C)CC[C@@H](CN2CC[NH+](C3CC3)CC2)[C@@H]1O C1CC1[*:1] CC1(C)CC[C@@H](CN2CC[NH+](CC2)[*:1])[C@@H]1O
Cc1ccccc1[C@@H](C)[NH2+]CCCC(=O)N1Cc2ccccc2C1 Cc1ccccc1[*:1] C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)[*:1]
C#CCOC(=O)Nc1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O C#CCOC(=O)N[*:1] O=c1c(cccn1Cc1ccc2OC(F)(F)Oc2c1)[*:1]
C#CCOC(=O)Nc1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O C#CC[*:1] O=C(Nc1cccn(Cc2ccc3OC(F)(F)Oc3c2)c1=O)O[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(=O)n3ccccc3nc2s1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2c(=O)n3ccccc3nc2s1
COC(=O)Cn1c([C@@H](C)Cl)nc2c(C)nn(C)c21 COC(=O)[*:1] Cc1nn(C)c2c1nc([C@@H](C)Cl)n2C[*:1]
COC(=O)Cn1c([C@@H](C)Cl)nc2c(C)nn(C)c21 C[C@@H](Cl)[*:1] COC(=O)Cn1c(nc2c(C)nn(C)c21)[*:1]
COC(=O)Cn1c([C@@H](C)Cl)nc2c(C)nn(C)c21 COC(=O)C[*:1] Cc1nn(C)c2c1nc([C@@H](C)Cl)n2[*:1]
CCOc1cc(CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)on1 CCO[*:1] Cc1cc(nc(n1)C(C)C)N1CCN(CC1)C(=O)CCc1cc(no1)[*:1]
CCOc1cc(CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)on1 CCOc1cc(C[*:1])on1 Cc1cc(nc(n1)C(C)C)N1CCN(CC1)C(=O)C[*:1]
CCOc1cc(CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)on1 CCOc1cc(on1)[*:1] Cc1cc(nc(n1)C(C)C)N1CCN(CC1)C(=O)CC[*:1]
CCOc1cc(CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)on1 CC(C)[*:1] CCOc1cc(CCC(=O)N2CCN(CC2)c2cc(C)nc(n2)[*:1])on1
CN(Cc1ccncn1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 Fc1ccc(cc1)C[*:1] CN(Cc1ccncn1)c1ccc(cn1)-c1nc(no1)[*:1]
CN(Cc1ccncn1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 Fc1ccc(cc1)[*:1] CN(Cc1ccncn1)c1ccc(cn1)-c1nc(C[*:1])no1
CN(Cc1ccncn1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 c1cc(ncn1)[*:1] CN(C[*:1])c1ccc(cn1)-c1nc(Cc2ccc(F)cc2)no1
CN(Cc1ccncn1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 CN(Cc1ccncn1)[*:1] Fc1ccc(cc1)Cc1noc(n1)-c1ccc(nc1)[*:1]
CN(Cc1ccncn1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 c1cc(C[*:1])ncn1 CN(c1ccc(cn1)-c1nc(Cc2ccc(F)cc2)no1)[*:1]
O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1=O)Nc1cccc(F)c1 O=C(Nc1cccc(F)c1)[*:1] O=C1N[C@@H](CC[*:1])C(=O)N1CCc1c[nH]c2ccc(F)cc12
O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1=O)N[*:1]
O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1=O)Nc1cccc(F)c1 Fc1ccc2[nH]cc(c2c1)[*:1] O=C(CC[C@@H]1NC(=O)N(CC[*:1])C1=O)Nc1cccc(F)c1
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1nncn1-c1ccccc1 Cc1cc(Cl)ccc1[*:1] C[C@H](O[*:1])C(=O)NCc1nncn1-c1ccccc1
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1nncn1[*:1]
COc1ccccc1Cc1noc(/C=C/c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] COc1ccccc1Cc1noc(C=C[*:1])n1
O=C(Cl)c1ccc2sccc2c1 O=C(Cl)[*:1] c1cc2cc(ccc2s1)[*:1]
C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1cc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1cc(no1)[*:1]
COC(=O)CN(CC#N)Cc1cn(-c2ccccc2)nc1C c1ccc(cc1)[*:1] COC(=O)CN(CC#N)Cc1cn(nc1C)[*:1]
COC(=O)CN(CC#N)Cc1cn(-c2ccccc2)nc1C N#CC[*:1] COC(=O)CN(Cc1cn(nc1C)-c1ccccc1)[*:1]
COC(=O)CN(CC#N)Cc1cn(-c2ccccc2)nc1C COC(=O)C[*:1] Cc1nn(cc1CN(CC#N)[*:1])-c1ccccc1
COC(=O)CN(CC#N)Cc1cn(-c2ccccc2)nc1C COC(=O)[*:1] Cc1nn(cc1CN(CC#N)C[*:1])-c1ccccc1
Cn1ncc2c1CCC[C@@H]2NC(=O)CSc1nnnn1C1CC1 C1CC1[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)CSc1nnnn1[*:1]
CC1(C)C(C(=O)Nc2ccc(F)cc2C#CC[NH3+])C1(C)C CC1(C)C(C1(C)C)[*:1] [NH3+]CC#Cc1cc(F)ccc1NC(=O)[*:1]
CCC[NH2+][C@@H](c1cncc(Br)c1)[C@H]1CCOC1 CCC[*:1] Brc1cncc(c1)[C@H]([NH2+][*:1])[C@H]1CCOC1
CCC[NH2+][C@@H](c1cncc(Br)c1)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] CCC[NH2+][C@@H](c1cncc(Br)c1)[*:1]
CC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O CC(=O)[*:1] C[C@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)Nc1ccccc1[*:1]
Cc1c(NC(=O)c2cccc(NC(=O)c3cccc4c3O[C@H](C)[C@@H]4C)c2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)c2cccc(c2)NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)c(=O)n(n1C)[*:1]
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccc(F)cc1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Cn1cnc(n1)-c1cccc(c1)[N+](=O)[O-])N(Cc1ccc(F)cc1)[*:1]
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccc(F)cc1)C1CCCCC1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Cn1cnc(n1)[*:1])N(Cc1ccc(F)cc1)C1CCCCC1
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccc(F)cc1)C1CCCCC1 Fc1ccc(cc1)[*:1] O=C(Cn1cnc(n1)-c1cccc(c1)[N+](=O)[O-])N(C[*:1])C1CCCCC1
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccc(F)cc1)C1CCCCC1 O=[N+]([O-])[*:1] O=C(Cn1cnc(n1)-c1cccc(c1)[*:1])N(Cc1ccc(F)cc1)C1CCCCC1
O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N(Cc1ccc(F)cc1)C1CCCCC1 Fc1ccc(cc1)C[*:1] O=C(Cn1cnc(n1)-c1cccc(c1)[N+](=O)[O-])N(C1CCCCC1)[*:1]
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)C(C)C c1coc(c1)C[*:1] Cc1ccc(cc1C(=O)N[C@H](C)C(C)C)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)NC(=O)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)NCc1ccco1
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)C(C)C c1coc(c1)[*:1] Cc1ccc(cc1C(=O)N[C@H](C)C(C)C)S(=O)(=O)NC[*:1]
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)C(C)C CC(C)[*:1] Cc1ccc(cc1C(=O)N[C@H](C)[*:1])S(=O)(=O)NCc1ccco1
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)NCc1ccco1
CC(C)[C@@H](O)CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 CC(C)[C@@H](O)CC[*:1] C[C@H]1CCC[C@](CNC(=O)N[*:1])(C1)[NH+](C)C
CC(C)[C@@H](O)CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 CC(C)[*:1] C[C@H]1CCC[C@](CNC(=O)NCC[C@H](O)[*:1])(C1)[NH+](C)C
CC(C)[C@@H](O)CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 CC(C)[C@@H](O)C[*:1] C[C@H]1CCC[C@](CNC(=O)NC[*:1])(C1)[NH+](C)C
CC(C)[C@@H](O)CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 CC(C)[C@@H](O)[*:1] C[C@H]1CCC[C@](CNC(=O)NCC[*:1])(C1)[NH+](C)C
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccn2cncc2c1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)NC1CCCCC1)c1ccn2cncc2c1
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccn2cncc2c1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)NC1CCCCC1)[*:1])c1ccn2cncc2c1
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccn2cncc2c1 O=C(NC1CCCCC1)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1ccn2cncc2c1
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccn2cncc2c1 C1CCC(CC1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1ccn2cncc2c1
CCCNC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] CCCNC(=O)c1cccc(c1)NC(=O)C(=O)N(C)C[*:1]
CCCNC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2cnn(C)c2)c1 CCC[*:1] CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2cnn(C)c2)c1 CCCNC(=O)[*:1] CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2cnn(C)c2)c1 Cn1cc(cn1)C[*:1] CCCNC(=O)c1cccc(c1)NC(=O)C(=O)N(C)[*:1]
CCc1cccc(C)c1NC(=O)[C@@H](C)[S@](=O)Cc1ccc(C(C)C)cc1 CC(C)[*:1] CCc1cccc(C)c1NC(=O)[C@@H](C)[S@](=O)Cc1ccc(cc1)[*:1]
O=C(Nc1nnc(C2CC2)s1)N[C@H](c1nccs1)C1CC1 c1csc(n1)[*:1] O=C(Nc1nnc(s1)C1CC1)N[C@H](C1CC1)[*:1]
O=C(Nc1nnc(C2CC2)s1)N[C@H](c1nccs1)C1CC1 C1CC1[*:1] O=C(Nc1nnc(s1)C1CC1)N[C@H](c1nccs1)[*:1]
O=C(Nc1nnc(C2CC2)s1)N[C@H](c1nccs1)C1CC1 C1CC1[*:1] O=C(Nc1nnc(s1)[*:1])N[C@H](c1nccs1)C1CC1
C(=C/c1ccccc1)\CN1CC[NH+](C/C=C/c2ccco2)CC1 c1ccc(cc1)[*:1] C(=C[*:1])CN1CC[NH+](C/C=C/c2ccco2)CC1
C(=C/c1ccccc1)\CN1CC[NH+](C/C=C/c2ccco2)CC1 c1coc(c1)[*:1] C(=C/c1ccccc1)\CN1CC[NH+](CC=C[*:1])CC1
C(=C/c1ccccc1)\CN1CC[NH+](C/C=C/c2ccco2)CC1 C(=C[*:1])c1ccco1 C(=C/c1ccccc1)\CN1CC[NH+](CC1)C[*:1]
Cn1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3F)n2C[C@H]2CCCO2)n1 Fc1cc(Br)ccc1[*:1] Cn1ccc(n1)-c1nnc(SCC(=O)N[*:1])n1C[C@H]1CCCO1
Cn1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3F)n2C[C@H]2CCCO2)n1 Cn1ccc(n1)[*:1] O=C(CSc1nnc(n1C[C@H]1CCCO1)[*:1])Nc1ccc(Br)cc1F
C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccncc1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)Nc1cccc(c1)C(=O)N[*:1])c1ccncc1
C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)Nc1cccc(c1)C(=O)Nc1cccc(C#N)c1)[*:1]
Nc1nnc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)s1 C1CCC(C1)[*:1] Nc1nnc(CNC(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
Nc1nnc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)s1 Nc1nnc(C[*:1])s1 O=C(N[*:1])[C@@H]1CC(=O)N(C1)C1CCCC1
Nc1nnc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)s1 Nc1nnc(s1)[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(C1)C1CCCC1
O=C(CCCn1c(CCl)nc2cccnc21)NC1CC1 O=C(NC1CC1)[*:1] ClCc1nc2cccnc2n1CCC[*:1]
O=C(CCCn1c(CCl)nc2cccnc21)NC1CC1 C1CC1[*:1] O=C(CCCn1c(CCl)nc2cccnc21)N[*:1]
C[NH2+][C@@H](c1cccc(OC(C)C)c1)C1CC1 CC(C)O[*:1] C[NH2+][C@@H](c1cccc(c1)[*:1])C1CC1
C[NH2+][C@@H](c1cccc(OC(C)C)c1)C1CC1 C1CC1[*:1] C[NH2+][C@@H](c1cccc(c1)OC(C)C)[*:1]
C[NH2+][C@@H](c1cccc(OC(C)C)c1)C1CC1 CC(C)[*:1] C[NH2+][C@@H](c1cccc(c1)O[*:1])C1CC1
CNc1nc(CNc2cncc(-n3ccnc3C)n2)cs1 CNc1nc(cs1)[*:1] Cc1nccn1-c1cncc(n1)NC[*:1]
CNc1nc(CNc2cncc(-n3ccnc3C)n2)cs1 Cc1nccn1[*:1] CNc1nc(cs1)CNc1cncc(n1)[*:1]
CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1 CCO[*:1] O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(cc1)[*:1]
COc1cccc(CN(C)C(=O)CN2C[C@H](C)OC[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CN(C)C(=O)CN1C[C@H](C)OC[C@@H]1[*:1]
COc1cccc(CN(C)C(=O)CN2C[C@H](C)OC[C@H]2c2ccccc2)c1 COc1cccc(c1)[*:1] C[C@H]1CN(CC(=O)N(C)C[*:1])[C@@H](CO1)c1ccccc1
COc1cccc(CN(C)C(=O)CN2C[C@H](C)OC[C@H]2c2ccccc2)c1 COc1cccc(c1)C[*:1] C[C@H]1CN(CC(=O)N(C)[*:1])[C@@H](CO1)c1ccccc1
CC1=C2C(=O)N=C([C@@H](C)S[C@@H]3N=C(c4ccccc4)CN3N)N=C2S[C@H]1C c1ccc(cc1)[*:1] CC1=C2C(=O)N=C(N=C2S[C@H]1C)[C@@H](C)S[C@@H]1N=C(CN1N)[*:1]
N=C(NN=Cc1ccncc1)NN=Cc1ccncc1 c1cc(ccn1)[*:1] N=C(NN=Cc1ccncc1)NN=C[*:1]
O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCc1cccs1 O=[N+]([O-])[*:1] Clc1cc(NCc2cccs2)c(cc1Cl)[*:1]
O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCc1cccs1 c1csc(c1)[*:1] O=[N+]([O-])c1cc(Cl)c(Cl)cc1NC[*:1]
O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCc1cccs1 c1csc(c1)C[*:1] O=[N+]([O-])c1cc(Cl)c(Cl)cc1N[*:1]
Cc1ncc(-c2ccc(S(=O)(=O)NC3CCCCCC3)s2)o1 Cc1ncc(o1)[*:1] O=S(=O)(NC1CCCCCC1)c1ccc(s1)[*:1]
Cc1ncc(-c2ccc(S(=O)(=O)NC3CCCCCC3)s2)o1 C1CCCC(CC1)[*:1] Cc1ncc(o1)-c1ccc(s1)S(=O)(=O)N[*:1]
O=C(Cc1cccc2ccccc12)N1CC(c2nc(-c3ncccn3)no2)C1 c1cnc(nc1)[*:1] O=C(Cc1cccc2ccccc12)N1CC(C1)c1nc(no1)[*:1]
CCCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2c1cc(Br)ccc1OC CCC[*:1] COc1ccc(Br)cc1[C@@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)S[*:1]
Cc1cccn2nc(NCc3nncn3C)nc12 Cn1cnnc1[*:1] Cc1cccn2nc(nc12)NC[*:1]
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCc2cc(F)ccc2C1 COc1ccccc1[*:1] C[C@H](NC(=O)[C@@H](C)N1CCc2cc(F)ccc2C1)[*:1]
CC[C@@H](COC)[NH2+]CCN1C(=O)CCC1=O COC[*:1] CC[C@@H]([NH2+]CCN1C(=O)CCC1=O)[*:1]
CN(Cc1nccs1)C(=O)c1cc2c(s1)CCCC2 c1csc(C[*:1])n1 CN(C(=O)c1cc2CCCCc2s1)[*:1]
CN(Cc1nccs1)C(=O)c1cc2c(s1)CCCC2 c1csc(n1)[*:1] CN(C[*:1])C(=O)c1cc2CCCCc2s1
Cc1cc(-c2ccc(S(=O)(=O)NC3CCCC3)s2)[nH]n1 C1CCC(C1)[*:1] Cc1cc([nH]n1)-c1ccc(s1)S(=O)(=O)N[*:1]
Cc1cc(-c2ccc(S(=O)(=O)NC3CCCC3)s2)[nH]n1 Cc1cc([nH]n1)[*:1] O=S(=O)(NC1CCCC1)c1ccc(s1)[*:1]
C[C@@H](c1ccncc1)[C@H](Cl)c1cc(F)c(F)c(F)c1 c1cc(ccn1)[*:1] C[C@@H]([C@H](Cl)c1cc(F)c(F)c(F)c1)[*:1]
COc1cc(NC(=O)[C@@H](C)OC)ccc1S(=O)(=O)N1CCCC1 CO[C@H](C)[*:1] COc1cc(ccc1S(=O)(=O)N1CCCC1)NC(=O)[*:1]
COc1cc(NC(=O)[C@@H](C)OC)ccc1S(=O)(=O)N1CCCC1 CO[C@H](C)C(=O)N[*:1] COc1cc(ccc1S(=O)(=O)N1CCCC1)[*:1]
Cc1cc(Cl)c(S(=O)(=O)Nc2cnn(C)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(Cl)c(cc1[*:1])S(=O)(=O)Nc1cnn(C)c1
Cc1cc(Cl)c(S(=O)(=O)Nc2cnn(C)c2)cc1[N+](=O)[O-] Cn1cc(cn1)[*:1] Cc1cc(Cl)c(cc1[N+](=O)[O-])S(=O)(=O)N[*:1]
O=C1O[C@H](C(=O)OCc2ccc(-n3ccnc3)nc2)Cc2ccccc21 c1cn(cn1)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)OCc1ccc(nc1)[*:1]
Cn1cc([C@]2(C)CN(C(=O)c3cccnc3OCC(F)F)CCO2)cn1 Cn1cc(cn1)[*:1] C[C@@]1(CN(CCO1)C(=O)c1cccnc1OCC(F)F)[*:1]
Cn1cc([C@]2(C)CN(C(=O)c3cccnc3OCC(F)F)CCO2)cn1 FC(F)[*:1] Cn1cc(cn1)[C@]1(C)CN(CCO1)C(=O)c1cccnc1OC[*:1]
Cn1cc([C@]2(C)CN(C(=O)c3cccnc3OCC(F)F)CCO2)cn1 FC(F)CO[*:1] Cn1cc(cn1)[C@]1(C)CN(CCO1)C(=O)c1cccnc1[*:1]
Cn1cc([C@]2(C)CN(C(=O)c3cccnc3OCC(F)F)CCO2)cn1 FC(F)C[*:1] Cn1cc(cn1)[C@]1(C)CN(CCO1)C(=O)c1cccnc1O[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@H](N)c2ccccc2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)[C@H](N)[*:1]
Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(N)=O NC(=O)C[*:1] Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2[*:1]
Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(N)=O NC(=O)[*:1] Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C[*:1]
BrCCc1noc2ccccc12 BrCC[*:1] c1ccc2c(noc2c1)[*:1]
CC(=O)c1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(Cl)nc2ccccc12
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)NC[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1F CC(C)C[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc1F Cc1ccc(cc1F)[*:1] CC(C)CNC(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
CCCC(=O)c1ccn(CCn2cccn2)c1 CCCC(=O)[*:1] c1cnn(c1)CCn1ccc(c1)[*:1]
CCCC(=O)c1ccn(CCn2cccn2)c1 c1cnn(c1)[*:1] CCCC(=O)c1ccn(c1)CC[*:1]
CCCC(=O)c1ccn(CCn2cccn2)c1 CCC[*:1] O=C(c1ccn(c1)CCn1cccn1)[*:1]
C=CCOc1ccc(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)cc1Cl C=CCO[*:1] Cc1nnc(o1)[C@H]1Cc2ccccc2CN1Cc1ccc(c(Cl)c1)[*:1]
C=CCOc1ccc(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)cc1Cl C=CC[*:1] Cc1nnc(o1)[C@H]1Cc2ccccc2CN1Cc1ccc(O[*:1])c(Cl)c1
C=CCOc1ccc(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)cc1Cl Cc1nnc(o1)[*:1] C=CCOc1ccc(cc1Cl)CN1Cc2ccccc2C[C@H]1[*:1]
CCc1nc2ccccc2n1C1CCN(C(=O)CNC(=O)NC)CC1 CNC(=O)NC[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)[*:1]
CCc1nc2ccccc2n1C1CCN(C(=O)CNC(=O)NC)CC1 CNC(=O)N[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)C[*:1]
O=C(CNc1cccc2ccccc12)N/N=C\c1ccccn1 c1ccc(nc1)[*:1] O=C(CNc1cccc2ccccc12)NN=C[*:1]
Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N(C[*:1])S(=O)(=O)c1ccc2NC(=O)CCc2c1
Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 Cc1cccc(c1)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N(Cc1ccccc1)[*:1]
Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)N(S(=O)(=O)c1ccc2NC(=O)CCc2c1)[*:1]
Cc1csc([C@H](C)n2c(N)nc3cc(Br)cnc32)n1 Cc1csc(n1)[*:1] C[C@H](n1c(N)nc2cc(Br)cnc21)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC([C@@H](C)O)CC1 CC[C@@H](C)C[*:1] C[C@@H](O)C1CCN(CC1)C(=O)N[C@H](C)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC([C@@H](C)O)CC1 CC[C@@H](C)[*:1] C[C@H](C[*:1])NC(=O)N1CCC(CC1)[C@@H](C)O
CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC([C@@H](C)O)CC1 C[C@@H](O)[*:1] CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC(CC1)[*:1]
CSc1nc(C(=O)N2CCC(C3=NN=C[C@H]3c3ccccc3C)CC2)cs1 CSc1nc(cs1)[*:1] Cc1ccccc1[C@@H]1C=NN=C1C1CCN(CC1)C(=O)[*:1]
CSc1nc(C(=O)N2CCC(C3=NN=C[C@H]3c3ccccc3C)CC2)cs1 Cc1ccccc1[*:1] CSc1nc(cs1)C(=O)N1CCC(CC1)C1=NN=C[C@@H]1[*:1]
CC[C@H](NC(=O)NCCCn1cc[nH+]c1C)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)NCCCn1cc[nH+]c1C)[*:1]
O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1ccnc(F)c1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1C[*:1])c1ccnc(F)c1
O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1ccnc(F)c1 Fc1cc(ccn1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)[*:1]
O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1ccnc(F)c1 c1ccc(cc1)C[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])c1ccnc(F)c1
O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)NC2CCCC2)c1 O=S(=O)(NC1CCCC1)[*:1] O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccc(c1)[*:1]
O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)NC2CCCC2)c1 Clc1cccc(C[*:1])c1Cl O=C(Nc1ccnn1[*:1])c1cccc(c1)S(=O)(=O)NC1CCCC1
O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccc(c1)S(=O)(=O)N[*:1]
O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)NC2CCCC2)c1 Clc1cccc(c1Cl)[*:1] O=C(Nc1ccnn1C[*:1])c1cccc(c1)S(=O)(=O)NC1CCCC1
Cc1cc(C)c2nc(N(CCCN3CCOCC3)C(=O)c3cc(=O)c4ccccc4o3)sc2c1 C(CN1CCOCC1)C[*:1] Cc1cc(C)c2nc(sc2c1)N(C(=O)c1cc(=O)c2ccccc2o1)[*:1]
Cc1cc(C)c2nc(N(CCCN3CCOCC3)C(=O)c3cc(=O)c4ccccc4o3)sc2c1 C1CN(CCO1)[*:1] Cc1cc(C)c2nc(sc2c1)N(CCC[*:1])C(=O)c1cc(=O)c2ccccc2o1
Cc1cc(C)c2nc(N(CCCN3CCOCC3)C(=O)c3cc(=O)c4ccccc4o3)sc2c1 Cc1cc(C)c2nc(sc2c1)[*:1] O=C(c1cc(=O)c2ccccc2o1)N(CCCN1CCOCC1)[*:1]
Cc1cc(C)c2nc(N(CCCN3CCOCC3)C(=O)c3cc(=O)c4ccccc4o3)sc2c1 O=c1cc(oc2ccccc12)[*:1] Cc1cc(C)c2nc(sc2c1)N(CCCN1CCOCC1)C(=O)[*:1]
Cc1cc(C)c2nc(N(CCCN3CCOCC3)C(=O)c3cc(=O)c4ccccc4o3)sc2c1 C1CN(CCO1)C[*:1] Cc1cc(C)c2nc(sc2c1)N(CC[*:1])C(=O)c1cc(=O)c2ccccc2o1
Cc1cc(C)c2nc(N(CCCN3CCOCC3)C(=O)c3cc(=O)c4ccccc4o3)sc2c1 C1CN(CCO1)CC[*:1] Cc1cc(C)c2nc(sc2c1)N(C[*:1])C(=O)c1cc(=O)c2ccccc2o1
COC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1cccc(Cl)c1C Cc1c(Cl)cccc1[*:1] COC(=O)N1CCc2ccccc2[C@H]1C(=O)N[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)CNC(=O)/C=C/c1cccnc1 C(=C[*:1])c1cccnc1 COc1ccc(C)cc1[C@@H](C)NC(=O)CNC(=O)[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)CNC(=O)/C=C/c1cccnc1 c1cncc(c1)[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)CNC(=O)C=C[*:1]
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 CC(C)(C)[*:1] C[C@@H](Oc1cccc(c1)[*:1])C(=O)N1CCC[C@H](C1)c1[nH]cc[nH+]1
CO[C@H](C)C(=O)Oc1ccccc1-c1nc2ccccc2s1 CO[C@H](C)C(=O)O[*:1] c1ccc(c(c1)-c1nc2ccccc2s1)[*:1]
CC[NH2+]Cc1ccc(O[C@H]2CCO[C@@]3(CCSC3)C2)cc1 CC[NH2+]C[*:1] c1cc(ccc1O[C@H]1CCO[C@@]2(CCSC2)C1)[*:1]
Cc1nnc(CN(C)C(=O)N[C@@H](C)CCc2ccc(F)c(F)c2)n1C Cc1nnc(n1C)[*:1] C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)N(C)C[*:1]
Cc1nnc(CN(C)C(=O)N[C@@H](C)CCc2ccc(F)c(F)c2)n1C Cc1nnc(C[*:1])n1C C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)N(C)[*:1]
Cc1nnc(CN(C)C(=O)N[C@@H](C)CCc2ccc(F)c(F)c2)n1C Fc1ccc(cc1F)[*:1] Cc1nnc(CN(C)C(=O)N[C@@H](C)CC[*:1])n1C
CN(C)C(=O)c1cc(NC(=O)CSCc2ccccn2)ccc1F CN(C)C(=O)[*:1] O=C(CSCc1ccccn1)Nc1ccc(F)c(c1)[*:1]
CN(C)C(=O)c1cc(NC(=O)CSCc2ccccn2)ccc1F c1ccc(nc1)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)CSC[*:1]
CN(C)C(=O)c1cc(NC(=O)CSCc2ccccn2)ccc1F c1ccc(C[*:1])nc1 CN(C)C(=O)c1cc(ccc1F)NC(=O)CS[*:1]
CN(C)C(=O)c1cc(NC(=O)CSCc2ccccn2)ccc1F c1ccc(CS[*:1])nc1 CN(C)C(=O)c1cc(ccc1F)NC(=O)C[*:1]
O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CCC[C@@H]1O O[C@H]1CCC[C@H]1C[*:1] O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[*:1]
O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CCC[C@@H]1O O[C@H]1CCC[C@H]1[*:1] O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[*:1]
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 c1ccc(cc1)CC[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccccc1F)[*:1])c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2F)N1CCc1ccccc1
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 Fc1ccccc1[*:1] O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1[*:1])c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccccc1F)c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 c1ccc(cc1)C[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1F)c1ccc2OCCOc2c1
Cc1ncsc1CN1C[C@H](C)O[C@H](c2ccsc2)C1 c1cc(cs1)[*:1] Cc1ncsc1CN1C[C@H](C)O[C@H](C1)[*:1]
Cc1ncsc1CN1C[C@H](C)O[C@H](c2ccsc2)C1 Cc1ncsc1[*:1] C[C@H]1CN(C[C@H](O1)c1ccsc1)C[*:1]
COc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3n2)c1 COc1cccc(c1)[*:1] C[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1cc(on1)C1CC1
CC(=O)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1C C1CC1[*:1] CC(=O)c1ccc(cc1C)NC(=O)c1cc(on1)[*:1]
CCc1nc(SCC(=O)N2CCOCC2)c(C#N)c2c1CCCC2 O=C(N1CCOCC1)[*:1] CCc1nc(SC[*:1])c(C#N)c2CCCCc12
CCOC(=O)[C@H]1CCCN(C(=O)N[C@](C)(CC)C(=O)[O-])C1 CCOC(=O)[*:1] CC[C@@](C)(NC(=O)N1CCC[C@@H](C1)[*:1])C(=O)[O-]
CCOC(=O)[C@H]1CCCN(C(=O)N[C@](C)(CC)C(=O)[O-])C1 O=C([O-])[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)N[C@](C)(CC)[*:1]
CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(C)c1 CC[C@H](C)NC(=O)[*:1] Cc1cccc(c1)-n1c(nnc1-c1ccoc1C)SC[*:1]
CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(C)c1 CC[C@H](C)[*:1] Cc1cccc(c1)-n1c(nnc1-c1ccoc1C)SCC(=O)N[*:1]
CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(C)c1 CC[C@H](C)NC(=O)C[*:1] Cc1cccc(c1)-n1c(nnc1-c1ccoc1C)S[*:1]
CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(C)c1 Cc1cccc(c1)[*:1] CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1[*:1]
CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(C)c1 CC[C@H](C)NC(=O)CS[*:1] Cc1cccc(c1)-n1c(nnc1[*:1])-c1ccoc1C
CC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(C)c1 Cc1occc1[*:1] CC[C@H](C)NC(=O)CSc1nnc(n1-c1cccc(C)c1)[*:1]
Cc1oc(-c2ccsc2)nc1C[S@](=O)Cc1ccc(C#N)cc1 c1cc(cs1)[*:1] Cc1oc(nc1C[S@](=O)Cc1ccc(C#N)cc1)[*:1]
CCC[NH2+][C@@H]([C@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H](C)OC CCC[*:1] CO[C@H](C)[C@@H]([NH2+][*:1])[C@H]1CCC[C@@H](C1)S(C)(=O)=O
CCC[NH2+][C@@H]([C@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H](C)OC CS(=O)(=O)[*:1] CCC[NH2+][C@@H]([C@H]1CCC[C@H](C1)[*:1])[C@@H](C)OC
CCC[NH2+][C@@H]([C@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H](C)OC CO[C@H](C)[*:1] CCC[NH2+][C@@H]([C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
Cn1cccc1[C@H](CNC(=O)NCc1ccccc1)[NH+](C)C c1ccc(cc1)C[*:1] Cn1cccc1[C@H](CNC(=O)N[*:1])[NH+](C)C
Cn1cccc1[C@H](CNC(=O)NCc1ccccc1)[NH+](C)C Cn1cccc1[*:1] C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1)[*:1]
Cn1cccc1[C@H](CNC(=O)NCc1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] Cn1cccc1[C@H](CNC(=O)NC[*:1])[NH+](C)C
O=C1CCCN1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 O=C1CCCN1[*:1] O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(CC1)[*:1]
O=C1CCCN1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C1CCCN1C1CC[NH+](C/C=C/c2ccccc2[*:1])CC1
NC(=O)C[C@H](NC(=O)c1csc(Br)c1)C(=O)[O-] NC(=O)[*:1] O=C(N[C@@H](C[*:1])C(=O)[O-])c1csc(Br)c1
NC(=O)C[C@H](NC(=O)c1csc(Br)c1)C(=O)[O-] NC(=O)C[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1csc(Br)c1
NC(=O)C[C@H](NC(=O)c1csc(Br)c1)C(=O)[O-] O=C([O-])[*:1] NC(=O)C[C@H](NC(=O)c1csc(Br)c1)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](O)c2ccccc2F)C12CCCC2 CCO[*:1] O=C(NC[C@H](O)c1ccccc1F)N[C@@H]1C[C@H](C12CCCC2)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](O)c2ccccc2F)C12CCCC2 Fc1ccccc1[*:1] CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](O)[*:1])C12CCCC2
CC(=O)Nc1cccc(NC(=O)NCc2ccnc(OC(C)(C)C)c2)c1 CC(C)(C)O[*:1] CC(=O)Nc1cccc(c1)NC(=O)NCc1ccnc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)NCc2ccnc(OC(C)(C)C)c2)c1 CC(=O)N[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)NCc2ccnc(OC(C)(C)C)c2)c1 CC(C)(C)[*:1] CC(=O)Nc1cccc(c1)NC(=O)NCc1ccnc(c1)O[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])N1CCOCC1
CCCn1ccc2ccc(NC(=O)N[C@H]3CCC[C@H]([S@@](=O)CC)C3)cc21 CCC[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)Nc1ccc2ccn(c2c1)[*:1]
CC(=O)N1CC(C(=O)c2cccs2)=C(c2ccccc2)N1 c1ccc(cc1)[*:1] CC(=O)N1CC(C(=O)c2cccs2)=C(N1)[*:1]
CC(=O)N1CC(C(=O)c2cccs2)=C(c2ccccc2)N1 O=C(c1cccs1)[*:1] CC(=O)N1CC(=C(N1)c1ccccc1)[*:1]
CC(=O)N1CC(C(=O)c2cccs2)=C(c2ccccc2)N1 c1csc(c1)[*:1] CC(=O)N1CC(C(=O)[*:1])=C(N1)c1ccccc1
CO[C@@H]1CCCC[C@H]1NC(=O)NC1(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)NC1(CC1)[*:1]
COc1cc(/C=N\Nc2nc(C)cc(C)[nH+]2)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(/C=N\Nc2nc(C)cc(C)[nH+]2)ccc1[*:1]
COc1cc(/C=N\Nc2nc(C)cc(C)[nH+]2)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(/C=N\Nc2nc(C)cc(C)[nH+]2)ccc1O[*:1]
COc1cc(/C=N\Nc2nc(C)cc(C)[nH+]2)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(/C=N\Nc2nc(C)cc(C)[nH+]2)ccc1OC[*:1]
CN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 c1ccc(cc1)[*:1] CN(C(=O)c1ccccn1)[C@H](C[*:1])C1CCN(CC1)C(=O)[C@H]1Cc2ccccc2O1
CN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 CN(C(=O)c1ccccn1)[*:1] O=C([C@H]1Cc2ccccc2O1)N1CCC(CC1)[C@@H](Cc1ccccc1)[*:1]
CN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 c1ccc(nc1)[*:1] CN(C(=O)[*:1])[C@H](Cc1ccccc1)C1CCN(CC1)C(=O)[C@H]1Cc2ccccc2O1
CN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccccn1)[C@H](C1CCN(CC1)C(=O)[C@H]1Cc2ccccc2O1)[*:1]
CCC(=O)Nc1cccc(NC(=O)COc2cccc(C)c2C)c1C CCC(=O)N[*:1] Cc1cccc(OCC(=O)Nc2cccc(c2C)[*:1])c1C
CCC(=O)Nc1cccc(NC(=O)COc2cccc(C)c2C)c1C Cc1cccc(c1C)[*:1] CCC(=O)Nc1cccc(NC(=O)CO[*:1])c1C
N#Cc1ccc(C[NH2+]CCCc2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)C[NH2+]CCC[*:1]
COC(=O)c1c(C)nc(C)c2c(=O)n(-c3nc(C)n[nH]3)ccc12 Cc1n[nH]c(n1)[*:1] COC(=O)c1c(C)nc(C)c2c(=O)n(ccc12)[*:1]
COC(=O)c1c(C)nc(C)c2c(=O)n(-c3nc(C)n[nH]3)ccc12 COC(=O)[*:1] Cc1n[nH]c(n1)-n1ccc2c(c(C)nc(C)c2c1=O)[*:1]
Cc1ccc(CNc2ncnc(N[C@@H](C)c3ccccc3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] C[C@H](Nc1ncnc(NC[*:1])c1[N+](=O)[O-])c1ccccc1
Cc1ccc(CNc2ncnc(N[C@@H](C)c3ccccc3)c2[N+](=O)[O-])cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CNc1ncnc(N[C@@H](C)[*:1])c1[N+](=O)[O-]
Cc1ccc(CNc2ncnc(N[C@@H](C)c3ccccc3)c2[N+](=O)[O-])cc1 C[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1)CNc1ncnc(N[*:1])c1[N+](=O)[O-]
Cc1ccc(CNc2ncnc(N[C@@H](C)c3ccccc3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CNc1ncnc(N[C@@H](C)c2ccccc2)c1[*:1]
Cc1ccc(CNc2ncnc(N[C@@H](C)c3ccccc3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)C[*:1] C[C@H](Nc1ncnc(N[*:1])c1[N+](=O)[O-])c1ccccc1
Cc1ccc(CNc2ncnc(N[C@@H](C)c3ccccc3)c2[N+](=O)[O-])cc1 C[C@H](N[*:1])c1ccccc1 Cc1ccc(cc1)CNc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1ccc(CNc2ncnc(N[C@@H](C)c3ccccc3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)CN[*:1] C[C@H](Nc1ncnc(c1[N+](=O)[O-])[*:1])c1ccccc1
CCc1nn(C)cc1C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 CCc1nn(C)cc1[*:1] CN(C(=O)[*:1])C1CCC(CC1)NC(=O)OC(C)(C)C
CCc1nn(C)cc1C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)N[*:1] CCc1nn(C)cc1C(=O)N(C)C1CCC(CC1)[*:1]
CCc1nn(C)cc1C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CCc1nn(C)cc1C(=O)N(C)C1CCC(CC1)NC(=O)O[*:1]
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Br)cc2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1[*:1])c1ccccc1
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Br)cc2)c(OC)c1 Brc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Br)cc2)c(OC)c1 O=C(c1ccccc1)[*:1] COc1ccc(c(c1)OC)[C@H]1C(=C([O-])C(=O)N1c1ccc(Br)cc1)[*:1]
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Br)cc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1ccc(Br)cc1
CCn1c(=O)c(C(=O)NCc2ccc(OC)cc2)cc2cccnc21 COc1ccc(cc1)[*:1] CCn1c(=O)c(cc2cccnc21)C(=O)NC[*:1]
C=CCCCN(C)C(=O)c1cc(Br)c2c(c1)OCCO2 C=CCCC[*:1] CN(C(=O)c1cc(Br)c2OCCOc2c1)[*:1]
C=CCCCN(C)C(=O)c1cc(Br)c2c(c1)OCCO2 C=CC[*:1] CN(CC[*:1])C(=O)c1cc(Br)c2OCCOc2c1
C=CCCCN(C)C(=O)c1cc(Br)c2c(c1)OCCO2 C=CCC[*:1] CN(C[*:1])C(=O)c1cc(Br)c2OCCOc2c1
C[C@H](O)CNC(=O)C(=O)NCC1(c2ccccc2)CCOCC1 C[C@H](O)[*:1] O=C(NCC1(CCOCC1)c1ccccc1)C(=O)NC[*:1]
C[C@H](O)CNC(=O)C(=O)NCC1(c2ccccc2)CCOCC1 C[C@H](O)C[*:1] O=C(NCC1(CCOCC1)c1ccccc1)C(=O)N[*:1]
C[C@H](O)CNC(=O)C(=O)NCC1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] C[C@H](O)CNC(=O)C(=O)NCC1(CCOCC1)[*:1]
COc1c(F)cc(NC(=O)NC2(c3cccc(Br)c3)CCC2)cc1F Brc1cccc(c1)[*:1] COc1c(F)cc(cc1F)NC(=O)NC1(CCC1)[*:1]
CCn1cc(NC(=O)c2ncccc2C(F)(F)F)ccc1=O FC(F)(F)[*:1] CCn1cc(ccc1=O)NC(=O)c1ncccc1[*:1]
O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)c1ccc(N2CCCC2=O)cc1 C1CCC(C1)O[*:1] O=C(N[C@@H]1CCCC[C@@H]1[*:1])c1ccc(cc1)N1CCCC1=O
O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)c1ccc(cc1)[*:1]
O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)c1ccc(N2CCCC2=O)cc1 C1CCC(C1)[*:1] O=C(N[C@@H]1CCCC[C@H]1O[*:1])c1ccc(cc1)N1CCCC1=O
CCOc1ccccc1NC(=O)COC1=C[C@@H]2[NH+]=c3ccccc3=C2C=C1 CCO[*:1] O=C(COC1C=CC2=c3ccccc3=[NH+][C@H]2C=1)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)COC1=C[C@@H]2[NH+]=c3ccccc3=C2C=C1 CCOc1ccccc1[*:1] O=C(COC1C=CC2=c3ccccc3=[NH+][C@H]2C=1)N[*:1]
CC(C)CC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 CC(C)[*:1] O=C(C[*:1])Nc1ccc(OCc2cccnc2)c(Cl)c1
CC(C)CC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 CC(C)C[*:1] O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[*:1]
CC(C)CC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 CC(C)CC(=O)N[*:1] Clc1cc(ccc1OCc1cccnc1)[*:1]
CC(C)CC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 c1cncc(c1)C[*:1] CC(C)CC(=O)Nc1ccc(O[*:1])c(Cl)c1
CC(C)CC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 c1cncc(c1)[*:1] CC(C)CC(=O)Nc1ccc(OC[*:1])c(Cl)c1
C[C@@H](CCO)SCc1csc(-c2ccsc2)n1 C[C@@H](CCO)[*:1] c1cc(cs1)-c1nc(cs1)CS[*:1]
C[C@@H](CCO)SCc1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] C[C@@H](CCO)SCc1csc(n1)[*:1]
C[C@@H](CCO)SCc1csc(-c2ccsc2)n1 OCC[*:1] C[C@@H](SCc1csc(n1)-c1ccsc1)[*:1]
C#CC[C@H](C)OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O C#CC[*:1] C[C@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[*:1]
C#CC[C@H](C)OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O C#CC[C@H](C)[*:1] O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)O[*:1]
C[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)C1 C[C@H]1CCCN(C1)C(=O)[*:1] CC(C)(C)c1ccc(cc1)[C@@]1(C)NC(=O)N(C[*:1])C1=O
C[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)C1 CC(C)(C)[*:1] C[C@H]1CCCN(C1)C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(cc1)[*:1]
O=C([O-])[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 O=[N+]([O-])[*:1] O=C([O-])[C@@H]([NH2+]Cc1ccc(c(F)c1)[*:1])C1CC1
O=C([O-])[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 C1CC1[*:1] O=C([O-])[C@@H]([NH2+]Cc1ccc(c(F)c1)[N+](=O)[O-])[*:1]
O=C([O-])[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 O=C([O-])[*:1] O=[N+]([O-])c1ccc(cc1F)C[NH2+][C@@H](C1CC1)[*:1]
COc1ccc(C[NH2+]CCCN2CCCC2=O)cc1Br O=C1CCCN1[*:1] COc1ccc(cc1Br)C[NH2+]CCC[*:1]
COc1cc(C(=O)[O-])ccc1-c1ccc(O)c(F)c1 O=C([O-])[*:1] COc1cc(ccc1-c1ccc(O)c(F)c1)[*:1]
Cc1ccccc1CC(=O)Oc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccccc1CC(=O)Oc1cccc(c1)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Oc2ccc(C)cc2C)C1 O=C([O-])[*:1] CC[NH2+][C@]1(CC[C@H](C1)Oc1ccc(C)cc1C)[*:1]
Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1ccnn1C)n2C Cn1nccc1[*:1] Cc1cc(C)c2c(c1)s/c(=N/C(=O)[*:1])n2C
CCOc1ccccc1/C=N/NC(=O)[C@H]1N=NC2=C1CCCC2 CCO[*:1] O=C(N/N=C/c1ccccc1[*:1])[C@H]1N=NC2CCCCC=21
Cn1cc[nH+]c1N1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] Cn1cc[nH+]c1N1CCN(CC1)C(=O)c1cccc(Cl)c1[*:1]
O=C(NCCc1nccs1)c1cc2cc(C(F)(F)F)ccc2s1 FC(F)(F)[*:1] O=C(NCCc1nccs1)c1cc2cc(ccc2s1)[*:1]
O=C(NCCc1nccs1)c1cc2cc(C(F)(F)F)ccc2s1 c1csc(C[*:1])n1 O=C(NC[*:1])c1cc2cc(ccc2s1)C(F)(F)F
O=C(NCCc1nccs1)c1cc2cc(C(F)(F)F)ccc2s1 c1csc(CC[*:1])n1 O=C(N[*:1])c1cc2cc(ccc2s1)C(F)(F)F
O=C(NCCc1nccs1)c1cc2cc(C(F)(F)F)ccc2s1 c1csc(n1)[*:1] O=C(NCC[*:1])c1cc2cc(ccc2s1)C(F)(F)F
Cc1ccc2c([O-])c(C(=O)NCc3cccc(NS(C)(=O)=O)c3)cnc2n1 CS(=O)(=O)N[*:1] Cc1ccc2c([O-])c(cnc2n1)C(=O)NCc1cccc(c1)[*:1]
O=C1OCCN1CC[NH+]1CCC(c2ccc(F)cc2)CC1 O=C1OCCN1C[*:1] Fc1ccc(cc1)C1CC[NH+](CC1)C[*:1]
O=C1OCCN1CC[NH+]1CCC(c2ccc(F)cc2)CC1 O=C1OCCN1[*:1] Fc1ccc(cc1)C1CC[NH+](CC1)CC[*:1]
O=C1OCCN1CC[NH+]1CCC(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C1OCCN1CC[NH+]1CCC(CC1)[*:1]
CN(C)C1=N/C(=N\c2ccc([N+](=O)[O-])cc2)c2ccccc21 O=[N+]([O-])[*:1] CN(C)C1=N/C(=N\c2ccc(cc2)[*:1])c2ccccc21
COc1ccc(NC(=O)CSc2n[nH]c(NN=C3CCCCCC3)n2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1n[nH]c(n1)NN=C1CCCCCC1)N[*:1]
COc1ccc(NC(=O)CSc2n[nH]c(NN=C3CCCCCC3)n2)cc1 C1CCCC(CC1)=NN[*:1] COc1ccc(cc1)NC(=O)CSc1n[nH]c(n1)[*:1]
COc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCC2)c(OC)c1 C1CCC(CC1)[*:1] COc1ccc(c(c1)OC)-c1[nH]c2c(C#N)cnn2c1N[*:1]
COc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCC2)c(OC)c1 C1CCC(CC1)N[*:1] COc1ccc(c(c1)OC)-c1[nH]c2c(C#N)cnn2c1[*:1]
C[NH2+][C@H](COC)C1(c2ccccc2)CCCCC1 c1ccc(cc1)[*:1] C[NH2+][C@H](COC)C1(CCCCC1)[*:1]
C[NH2+][C@H](COC)C1(c2ccccc2)CCCCC1 COC[*:1] C[NH2+][C@H](C1(CCCCC1)c1ccccc1)[*:1]
Clc1ccc(Cn2cc(NCc3cccc4cn[nH]c34)cn2)cc1 Clc1ccc(cc1)C[*:1] c1cc(CNc2cnn(c2)[*:1])c2[nH]ncc2c1
Clc1ccc(Cn2cc(NCc3cccc4cn[nH]c34)cn2)cc1 Clc1ccc(cc1)[*:1] c1cc(CNc2cnn(c2)C[*:1])c2[nH]ncc2c1
Cc1cnc(CNC(=O)N2CCC(OC[C@H]3CCCO3)CC2)s1 C1CO[C@H](C1)[*:1] Cc1cnc(CNC(=O)N2CCC(CC2)OC[*:1])s1
Cc1cnc(CNC(=O)N2CCC(OC[C@H]3CCCO3)CC2)s1 Cc1cnc(C[*:1])s1 O=C(N[*:1])N1CCC(CC1)OC[C@H]1CCCO1
Cc1cnc(CNC(=O)N2CCC(OC[C@H]3CCCO3)CC2)s1 C1CO[C@H](C1)CO[*:1] Cc1cnc(CNC(=O)N2CCC(CC2)[*:1])s1
Cc1cnc(CNC(=O)N2CCC(OC[C@H]3CCCO3)CC2)s1 Cc1cnc(s1)[*:1] O=C(NC[*:1])N1CCC(CC1)OC[C@H]1CCCO1
Cc1cnc(CNC(=O)N2CCC(OC[C@H]3CCCO3)CC2)s1 C1CO[C@H](C1)C[*:1] Cc1cnc(CNC(=O)N2CCC(CC2)O[*:1])s1
CCc1ccccc1OCC(=O)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CCc1ccccc1OCC(=O)N1CCC[C@@H]1[*:1]
CCc1ccccc1OCC(=O)N1CCC[C@H]1Cc1ccccc1 CCc1ccccc1[*:1] O=C(CO[*:1])N1CCC[C@H]1Cc1ccccc1
CCc1ccccc1OCC(=O)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CCc1ccccc1OCC(=O)N1CCC[C@H]1C[*:1]
Cc1cc(O)c(C(C)C)cc1NC(=O)CCc1ccco1 CC(C)[*:1] Cc1cc(O)c(cc1NC(=O)CCc1ccco1)[*:1]
Cc1cc(O)c(C(C)C)cc1NC(=O)CCc1ccco1 c1coc(c1)C[*:1] Cc1cc(O)c(cc1NC(=O)C[*:1])C(C)C
Cc1cc(O)c(C(C)C)cc1NC(=O)CCc1ccco1 c1coc(c1)CC[*:1] Cc1cc(O)c(cc1NC(=O)[*:1])C(C)C
Cc1cc(O)c(C(C)C)cc1NC(=O)CCc1ccco1 c1coc(c1)[*:1] Cc1cc(O)c(cc1NC(=O)CC[*:1])C(C)C
CCc1cc(N2CCC(NC(=O)C3C[C@@H](C)O[C@H](C)C3)CC2)ncn1 CCc1cc(ncn1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NC1CCN(CC1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)N[C@H](C)c1ccc(cc1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](N[C@H](C)[C@H](O)[*:1])c1ccc(cc1)S(C)(=O)=O
CCC(=O)Nc1cccc(NC(=O)/C=C/C2CC2)c1 C(=C[*:1])C1CC1 CCC(=O)Nc1cccc(c1)NC(=O)[*:1]
CCC(=O)Nc1cccc(NC(=O)/C=C/C2CC2)c1 C1CC1[*:1] CCC(=O)Nc1cccc(c1)NC(=O)C=C[*:1]
CCC(=O)Nc1cccc(NC(=O)/C=C/C2CC2)c1 CCC(=O)N[*:1] O=C(/C=C/C1CC1)Nc1cccc(c1)[*:1]
CCCO[C@@H](C)C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 CCC[*:1] C[C@H](O[*:1])C(=O)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F
CCCO[C@@H](C)C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 CCCO[*:1] C[C@@H](C(=O)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)[*:1]
CCCO[C@@H](C)C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CCCO[C@@H](C)C(=O)N1CCC(O)(CC1)c1cccc(c1)[*:1]
CC[NH+](CCO)Cc1nnc(-c2cccs2)o1 c1csc(c1)[*:1] CC[NH+](CCO)Cc1nnc(o1)[*:1]
CC[NH+](CCO)Cc1nnc(-c2cccs2)o1 OCC[*:1] CC[NH+](Cc1nnc(o1)-c1cccs1)[*:1]
OC[C@@H]1O[C@@H](c2ccccc2)O[C@H]1[C@@H]1O[C@@H](c2ccccc2)O[C@@H]1CO c1ccc(cc1)[*:1] OC[C@@H]1O[C@@H](O[C@H]1[C@@H]1O[C@H](O[C@@H]1CO)c1ccccc1)[*:1]
C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]1[*:1]
O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)C[*:1] O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)Cc1ccc(Cl)cc1
Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 c1cncc(c1)[*:1] Cc1nc(sc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1)[*:1]
Cc1cccc(OC[C@@H](O)CNC(=O)Cc2ccc(F)cc2F)c1 Cc1cccc(c1)O[*:1] O=C(Cc1ccc(F)cc1F)NC[C@H](O)C[*:1]
Cc1cccc(OC[C@@H](O)CNC(=O)Cc2ccc(F)cc2F)c1 Cc1cccc(c1)[*:1] O=C(Cc1ccc(F)cc1F)NC[C@H](O)CO[*:1]
Cc1cccc(OC[C@@H](O)CNC(=O)Cc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] Cc1cccc(c1)OC[C@@H](O)CNC(=O)C[*:1]
COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCCCNC(=O)c1ccccc1NC(=O)[*:1]
COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCC[*:1]
COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC[*:1]
COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 COCCC[*:1] Cc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 COCCCNC(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1SCc1cccs1 c1csc(c1)C[*:1] O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1S[*:1]
O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1SCc1cccs1 c1csc(c1)CS[*:1] O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1[*:1]
O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1SCc1cccs1 c1csc(c1)[*:1] O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1SC[*:1]
CSCC[C@H]1N[C@]2(C(=O)Nc3c2ccc(C)c3C)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 CSCC[*:1] Cc1ccc2c(NC(=O)[C@]23N[C@@H]([C@H]2C(=O)N(C(=O)[C@H]23)C2CCCCCC2)[*:1])c1C
CSCC[C@H]1N[C@]2(C(=O)Nc3c2ccc(C)c3C)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 C1CCCC(CC1)[*:1] CSCC[C@H]1N[C@]2(C(=O)Nc3c2ccc(C)c3C)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
CSCC[C@H]1N[C@]2(C(=O)Nc3c2ccc(C)c3C)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 CSC[*:1] Cc1ccc2c(NC(=O)[C@]23N[C@H](C[*:1])[C@H]2C(=O)N(C(=O)[C@H]23)C2CCCCCC2)c1C
CCCCc1noc([C@@H](C)[S@@](=O)Cc2cccnc2Cl)n1 CCC[*:1] C[C@H](c1nc(C[*:1])no1)[S@@](=O)Cc1cccnc1Cl
CCCCc1noc([C@@H](C)[S@@](=O)Cc2cccnc2Cl)n1 CCCC[*:1] C[C@H](c1nc(no1)[*:1])[S@@](=O)Cc1cccnc1Cl
CCCCc1noc([C@@H](C)[S@@](=O)Cc2cccnc2Cl)n1 Clc1ncccc1[*:1] CCCCc1noc(n1)[C@@H](C)[S@@](=O)C[*:1]
CCC(CC)C(=O)N(C)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 CCC(CC)[*:1] CN(C(=O)[*:1])c1nnc(s1)C12CC3CC(CC(C3)C1)C2
COc1ccc(OC)c(/C=N/Nc2nnc(SC(C)C)[nH]2)c1 CC(C)[*:1] COc1ccc(OC)c(/C=N/Nc2nnc([nH]2)S[*:1])c1
COc1ccc(OC)c(/C=N/Nc2nnc(SC(C)C)[nH]2)c1 CC(C)S[*:1] COc1ccc(OC)c(/C=N/Nc2nnc([nH]2)[*:1])c1
C[C@](O)(CNC(=O)NCC1(Sc2ccccc2)CC1)c1ccco1 c1ccc(cc1)S[*:1] C[C@](O)(CNC(=O)NCC1(CC1)[*:1])c1ccco1
C[C@](O)(CNC(=O)NCC1(Sc2ccccc2)CC1)c1ccco1 c1ccc(cc1)[*:1] C[C@](O)(CNC(=O)NCC1(CC1)S[*:1])c1ccco1
C[C@](O)(CNC(=O)NCC1(Sc2ccccc2)CC1)c1ccco1 c1coc(c1)[*:1] C[C@](O)(CNC(=O)NCC1(CC1)Sc1ccccc1)[*:1]
Cc1nn(C)c(C)c1CC(=O)N[C@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1nn(C)c(C)c1CC(=O)N[C@H](C)[*:1]
CCc1ccsc1CNC(=O)N(Cc1ccccc1OC)C1CC1 CCc1ccsc1C[*:1] COc1ccccc1CN(C(=O)N[*:1])C1CC1
CCc1ccsc1CNC(=O)N(Cc1ccccc1OC)C1CC1 CCc1ccsc1[*:1] COc1ccccc1CN(C(=O)NC[*:1])C1CC1
CCc1ccsc1CNC(=O)N(Cc1ccccc1OC)C1CC1 C1CC1[*:1] CCc1ccsc1CNC(=O)N(Cc1ccccc1OC)[*:1]
CCc1ccsc1CNC(=O)N(Cc1ccccc1OC)C1CC1 COc1ccccc1[*:1] CCc1ccsc1CNC(=O)N(C[*:1])C1CC1
C[C@@H](Cc1ccco1)[NH2+][C@H](C)C(=O)N1CCCC1 c1coc(c1)[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)C(=O)N1CCCC1
C[C@@H](Cc1ccco1)[NH2+][C@H](C)C(=O)N1CCCC1 c1coc(c1)C[*:1] C[C@@H]([NH2+][C@H](C)C(=O)N1CCCC1)[*:1]
CCC[NH+](Cc1ccc(Br)cc1N)C(C)C CC(C)[*:1] CCC[NH+](Cc1ccc(Br)cc1N)[*:1]
CCC[NH+](Cc1ccc(Br)cc1N)C(C)C CCC[*:1] CC(C)[NH+](Cc1ccc(Br)cc1N)[*:1]
COC(=O)C1CCN(C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)CC1 CC(C)(c1ccccc1)[*:1] COC(=O)C1CCN(CC1)C(=O)c1sc(nc1C)[*:1]
COC(=O)C1CCN(C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)CC1 c1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)c1sc(nc1C)C(C)(C)[*:1]
COC(=O)C1CCN(C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)CC1 COC(=O)[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)[*:1])C(C)(C)c1ccccc1
CCn1cccc1C(=O)N(C)c1snc(C)c1C(=O)[O-] O=C([O-])[*:1] CCn1cccc1C(=O)N(C)c1snc(C)c1[*:1]
COc1cccc([C@@H](CNC(=O)[C@@H](C)n2cncn2)[NH+]2CCCC2)c1 c1ncn(n1)[*:1] COc1cccc(c1)[C@@H](CNC(=O)[C@@H](C)[*:1])[NH+]1CCCC1
COc1cccc([C@@H](CNC(=O)[C@@H](C)n2cncn2)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] C[C@H](C(=O)NC[C@@H]([NH+]1CCCC1)[*:1])n1cncn1
COc1cccc([C@@H](CNC(=O)[C@@H](C)n2cncn2)[NH+]2CCCC2)c1 C[C@@H](n1cncn1)[*:1] COc1cccc(c1)[C@@H](CNC(=O)[*:1])[NH+]1CCCC1
C[C@H](C(=O)[O-])n1nnnc1-c1csc(I)c1 O=C([O-])[*:1] C[C@H](n1nnnc1-c1csc(I)c1)[*:1]
C[C@H](C(=O)[O-])n1nnnc1-c1csc(I)c1 C[C@H](C(=O)[O-])[*:1] Ic1cc(cs1)-c1nnnn1[*:1]
NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3CCCC3)nc2)c1 NS(=O)(=O)[*:1] O=C(Nc1ccc(nc1)N1CCCC1)c1cc(ccc1F)[*:1]
NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3CCCC3)nc2)c1 C1CCN(C1)[*:1] NS(=O)(=O)c1ccc(F)c(c1)C(=O)Nc1ccc(nc1)[*:1]
Cc1cnn(CCC(=O)N2CCCC[C@H]2c2nc(C)cs2)c1 Cc1cnn(c1)C[*:1] Cc1csc(n1)[C@@H]1CCCCN1C(=O)C[*:1]
Cc1cnn(CCC(=O)N2CCCC[C@H]2c2nc(C)cs2)c1 Cc1csc(n1)[*:1] Cc1cnn(c1)CCC(=O)N1CCCC[C@@H]1[*:1]
Cc1cnn(CCC(=O)N2CCCC[C@H]2c2nc(C)cs2)c1 Cc1cnn(c1)[*:1] Cc1csc(n1)[C@@H]1CCCCN1C(=O)CC[*:1]
CCOc1ncccc1C(=O)N(C)c1ccc(C)cc1C CCO[*:1] Cc1ccc(c(C)c1)N(C)C(=O)c1cccnc1[*:1]
CCO[C@@H]1C[C@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CCO[C@@H]1C[C@H]1C(=O)NCCc1nc(no1)[*:1]
CCO[C@@H]1C[C@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 CCO[*:1] O=C(NCCc1nc(no1)-c1ccc(Cl)cc1)[C@@H]1C[C@H]1[*:1]
COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc(Br)c1OC O=C([O-])C[*:1] COc1cc(/C=C(/c2nc3ccccc3s2)[*:1])cc(Br)c1OC
COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc(Br)c1OC O=C([O-])[*:1] COc1cc(/C=C(\C[*:1])c2nc3ccccc3s2)cc(Br)c1OC
O=C(N1CCOCC1)N1CCCC[C@H](Nc2nccc(C(F)(F)F)n2)C1 FC(F)(F)[*:1] O=C(N1CCOCC1)N1CCCC[C@@H](C1)Nc1nccc(n1)[*:1]
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C2 O=[N+]([O-])[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)NC(=O)c1cc(ccc1Cl)[*:1]
Cc1cc(C[C@H](C)N[C@H](C)c2oc3ccccc3c2C)n[nH]1 Cc1cc(n[nH]1)[*:1] Cc1c(oc2ccccc12)[C@@H](C)N[C@@H](C)C[*:1]
Cc1cc(C[C@H](C)N[C@H](C)c2oc3ccccc3c2C)n[nH]1 Cc1cc(C[*:1])n[nH]1 Cc1c(oc2ccccc12)[C@@H](C)N[C@@H](C)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(Cn3ccnc3C)cc2)cc1C Cc1nccn1C[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(Cn3ccnc3C)cc2)cc1C Cc1nccn1[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C[*:1]
CN(Cc1[nH+]ccn1C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] CN(Cc1[nH+]ccn1C)C(=O)c1cc(ccc1Cl)[*:1]
CC(C)(C)c1csc(C[C@H]2CC[C@H](Br)C2)n1 CC(C)(C)[*:1] Br[C@H]1CC[C@H](Cc2nc(cs2)[*:1])C1
CCN(CCO)C(=O)[C@@H]1CCC[NH2+][C@H]1C OCC[*:1] CCN(C(=O)[C@@H]1CCC[NH2+][C@H]1C)[*:1]
Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1cnccc1-c1cnc(nc1[C@H]1CCCCN1C(=O)[*:1])N(C)C
Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)CCc1ccccc1 Cc1cnccc1[*:1] CN(C)c1ncc(c(n1)[C@H]1CCCCN1C(=O)CCc1ccccc1)[*:1]
Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1cnccc1-c1cnc(nc1[C@H]1CCCCN1C(=O)C[*:1])N(C)C
Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)CCc1ccccc1 c1ccc(cc1)[*:1] Cc1cnccc1-c1cnc(nc1[C@H]1CCCCN1C(=O)CC[*:1])N(C)C
Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)CCc1ccccc1 CN(C)[*:1] Cc1cnccc1-c1cnc(nc1[C@H]1CCCCN1C(=O)CCc1ccccc1)[*:1]
C[C@H]1CN(C(=O)CCCC[NH3+])C[C@@H]1C [NH3+]CCC[*:1] C[C@H]1CN(C[C@@H]1C)C(=O)C[*:1]
C[C@H]1CN(C(=O)CCCC[NH3+])C[C@@H]1C [NH3+]CC[*:1] C[C@H]1CN(C[C@@H]1C)C(=O)CC[*:1]
CC#CC(=O)N1CCC2=NN=C(c3cccc(OC)c3)[C@H]2C1 CC#C[*:1] COc1cccc(c1)C1=NN=C2CCN(C[C@@H]21)C(=O)[*:1]
O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(N2CCCCC2=O)cc1 O=C1CCCCN1[*:1] O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(cc1)[*:1]
Cc1nc(Br)ccc1NC(=O)C(=O)NCc1ccon1 c1cc(C[*:1])no1 Cc1nc(Br)ccc1NC(=O)C(=O)N[*:1]
Cc1nc(Br)ccc1NC(=O)C(=O)NCc1ccon1 c1cc(no1)[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)NC[*:1]
O=C1N[C@H](c2ccccc2F)c2c1oc1ccc(Br)cc1c2=O Fc1ccccc1[*:1] O=C1N[C@H](c2c1oc1ccc(Br)cc1c2=O)[*:1]
CC(C)(C)C(=O)Nn1cnnc1 CC(C)(C)[*:1] O=C(Nn1cnnc1)[*:1]
Cn1nccc1C(=O)N1CCCC[C@@H]1c1cc[nH]n1 c1cc(n[nH]1)[*:1] Cn1nccc1C(=O)N1CCCC[C@H]1[*:1]
Cn1nccc1C(=O)N1CCCC[C@@H]1c1cc[nH]n1 Cn1nccc1[*:1] O=C(N1CCCC[C@@H]1c1cc[nH]n1)[*:1]
CC(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)C(=O)N(C)C[*:1]
COCc1nnc(NC(=O)c2cnc3sccn3c2=O)s1 COC[*:1] O=C(Nc1nnc(s1)[*:1])c1cnc2sccn2c1=O
C[C@H](CCO)CNC(=O)N[C@H](c1nccs1)C1CC1 OCC[*:1] C[C@H](CNC(=O)N[C@H](c1nccs1)C1CC1)[*:1]
C[C@H](CCO)CNC(=O)N[C@H](c1nccs1)C1CC1 c1csc(n1)[*:1] C[C@H](CCO)CNC(=O)N[C@H](C1CC1)[*:1]
C[C@H](CCO)CNC(=O)N[C@H](c1nccs1)C1CC1 C[C@H](CCO)[*:1] O=C(NC[*:1])N[C@H](c1nccs1)C1CC1
C[C@H](CCO)CNC(=O)N[C@H](c1nccs1)C1CC1 C[C@H](CCO)C[*:1] O=C(N[C@H](c1nccs1)C1CC1)N[*:1]
C[C@H](CCO)CNC(=O)N[C@H](c1nccs1)C1CC1 C1CC1[*:1] C[C@H](CCO)CNC(=O)N[C@H](c1nccs1)[*:1]
C[C@]1(C(=O)Nc2ccn(-c3ncccc3Cl)n2)CCCO1 Clc1cccnc1[*:1] C[C@@]1(CCCO1)C(=O)Nc1ccn(n1)[*:1]
C[C@@H]1C[C@H]1C(=O)c1ccc(F)c(Br)c1 C[C@@H]1C[C@@H]1[*:1] O=C(c1ccc(F)c(Br)c1)[*:1]
CC(C)(CSC[C@@H](NC=O)C(=O)[O-])C(=O)[O-] O=CN[*:1] CC(C)(CSC[C@@H](C(=O)[O-])[*:1])C(=O)[O-]
CC(C)(CSC[C@@H](NC=O)C(=O)[O-])C(=O)[O-] O=C([O-])[*:1] CC(C)(CSC[C@@H](NC=O)[*:1])C(=O)[O-]
CC(C)(CSC[C@@H](NC=O)C(=O)[O-])C(=O)[O-] O=C([O-])[*:1] CC(C)(CSC[C@@H](NC=O)C(=O)[O-])[*:1]
CCc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(N2CCN(Cc3ccccc3)CC2)N1 c1ccc(cc1)C[*:1] CCc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(N1)N1CCN(CC1)[*:1]
CCc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(N2CCN(Cc3ccccc3)CC2)N1 CCc1ccccc1[*:1] O=C1C[C@H](NC(=N1)N1CCN(CC1)Cc1ccccc1)C(=O)N[*:1]
CCc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(N2CCN(Cc3ccccc3)CC2)N1 c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(N1)N1CCN(CC1)C[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)c2cc(Br)ccc2C)C1 COC(=O)[*:1] Cc1ccc(Br)cc1C(=O)N1CC[C@](F)(C1)[*:1]
CCn1c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nc2ccccc21 O=[N+]([O-])[*:1] CCn1c(nc2ccccc21)S[C@H]1CCN(C1=O)c1cccc(c1)[*:1]
CCn1c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nc2ccccc21 O=[N+]([O-])c1cccc(c1)[*:1] CCn1c(nc2ccccc21)S[C@H]1CCN(C1=O)[*:1]
CCCN(CC(C)(C)C[NH3+])C(=O)c1ccc(C#N)cn1 CCC[*:1] CC(C)(C[NH3+])CN(C(=O)c1ccc(C#N)cn1)[*:1]
CCCN(CC(C)(C)C[NH3+])C(=O)c1ccc(C#N)cn1 CC(C)(C[NH3+])C[*:1] CCCN(C(=O)c1ccc(C#N)cn1)[*:1]
[NH3+]CC#Cc1cc(F)cc(Cn2ccnc2)c1 c1cn(cn1)[*:1] [NH3+]CC#Cc1cc(F)cc(c1)C[*:1]
O=C(NC1CCCCCC1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(NC1CCCCCC1)[C@@H]1C[C@H](CN1C[*:1])n1cnnn1
O=C(NC1CCCCCC1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(F)c(F)c1 c1nnnn1[*:1] O=C(NC1CCCCCC1)[C@@H]1C[C@@H](CN1Cc1ccc(F)c(F)c1)[*:1]
O=C(NC1CCCCCC1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(F)c(F)c1 C1CCCC(CC1)[*:1] O=C(N[*:1])[C@@H]1C[C@H](CN1Cc1ccc(F)c(F)c1)n1cnnn1
O=C(NC1CCCCCC1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)C[*:1] O=C(NC1CCCCCC1)[C@@H]1C[C@H](CN1[*:1])n1cnnn1
CN[C@@]1(C#N)CCC[C@@H]1CCOCC(C)C CC(C)CO[*:1] CN[C@@]1(C#N)CCC[C@@H]1CC[*:1]
CN[C@@]1(C#N)CCC[C@@H]1CCOCC(C)C CC(C)C[*:1] CN[C@@]1(C#N)CCC[C@@H]1CCO[*:1]
CN[C@@]1(C#N)CCC[C@@H]1CCOCC(C)C CC(C)[*:1] CN[C@@]1(C#N)CCC[C@@H]1CCOC[*:1]
O=C(COC(=O)c1ccc2ccccc2n1)NC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(COC(=O)c1ccc2ccccc2n1)NC(=O)N[*:1]
O=C(COC(=O)c1ccc2ccccc2n1)NC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(COC(=O)c1ccc2ccccc2n1)NC(=O)NC[*:1]
O=C(c1ccnc(-n2cncn2)c1)N1CCC(OCc2ccccc2F)CC1 c1ncn(n1)[*:1] O=C(c1ccnc(c1)[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(c1ccnc(-n2cncn2)c1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(c1ccnc(c1)-n1cncn1)N1CCC(CC1)O[*:1]
O=C(c1ccnc(-n2cncn2)c1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] O=C(c1ccnc(c1)-n1cncn1)N1CCC(CC1)[*:1]
O=C(c1ccnc(-n2cncn2)c1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1ccnc(c1)-n1cncn1)N1CCC(CC1)OC[*:1]
CCc1nncn1CCNC(=O)N1CCNC(=O)[C@@H]1C(C)C CC(C)[*:1] CCc1nncn1CCNC(=O)N1CCNC(=O)[C@H]1[*:1]
CCc1nncn1CCNC(=O)N1CCNC(=O)[C@@H]1C(C)C CCc1nncn1[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)NCC[*:1]
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C CC(=O)O[*:1] C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CC[C@@H]2C(=O)C[*:1]
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C CC(=O)OC[*:1] C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CC[C@@H]2C(=O)[*:1]
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C CC(=O)OCC(=O)[*:1] C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CC[C@@H]2[*:1]
CC[C@@H](C[NH3+])C(=O)N1CCO[C@H](C#N)C1 CC[C@@H](C[NH3+])[*:1] N#C[C@@H]1CN(CCO1)C(=O)[*:1]
Cc1ccccc1CC(C)(C)NC(=O)NCCn1cc[nH+]c1 Cc1ccccc1[*:1] CC(C)(C[*:1])NC(=O)NCCn1cc[nH+]c1
N#Cc1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(COc1ccccc1-c1ccccc1)N[*:1]
N#Cc1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)COc1ccccc1[*:1]
O=C(NC1CC1)c1cccc(NC(=O)c2cc(Br)ccc2F)c1 C1CC1[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1cc(Br)ccc1F
O=C(NC1CC1)c1cccc(NC(=O)c2cc(Br)ccc2F)c1 O=C(NC1CC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(Br)ccc1F
COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(-n4nc(C)cc4C)nn3)n2)cc1 Cc1cc(C)n(n1)[*:1] COc1ccc(cc1)-c1ccc(=O)n(CCNC(=O)c2ccc(nn2)[*:1])n1
COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(-n4nc(C)cc4C)nn3)n2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)C(=O)NCCn1nc(ccc1=O)[*:1]
N#CC(C#N)[C@H](C1=C(O)N=[NH+][C@H]1c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CC(C#N)[C@H](C1=C(O)N=[NH+][C@H]1c1ccccc1)[*:1]
N#CC(C#N)[C@H](C1=C(O)N=[NH+][C@H]1c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] N#CC(C#N)[C@H](C1=C(O)N=[NH+][C@@H]1[*:1])c1ccc(F)cc1
N#CC(C#N)[C@H](C1=C(O)N=[NH+][C@H]1c1ccccc1)c1ccc(F)cc1 N#CC(C#N)[*:1] OC1N=[NH+][C@H](C=1[C@H](c1ccc(F)cc1)[*:1])c1ccccc1
N#CCN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccccc1 C1CN(CCO1)[*:1] N#CCN(CC(=O)Nc1ccc(cc1)C[*:1])c1ccccc1
N#CCN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccccc1 N#CC[*:1] O=C(CN(c1ccccc1)[*:1])Nc1ccc(cc1)CN1CCOCC1
N#CCN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccccc1 C1CN(CCO1)C[*:1] N#CCN(CC(=O)Nc1ccc(cc1)[*:1])c1ccccc1
N#CCN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] N#CCN(CC(=O)Nc1ccc(cc1)CN1CCOCC1)[*:1]
CC[C@@H]1CC(=O)N(CCCC(=O)c2cccs2)C1 c1csc(c1)[*:1] CC[C@@H]1CC(=O)N(CCCC(=O)[*:1])C1
CC[C@H](Nc1nccc(C2CCCC2)n1)c1ccncc1 C1CCC(C1)[*:1] CC[C@H](Nc1nccc(n1)[*:1])c1ccncc1
CC[C@H](Nc1nccc(C2CCCC2)n1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](Nc1nccc(n1)C1CCCC1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](Nc2cc(F)cc(F)c2)C1 CS(=O)(=O)[*:1] Fc1cc(F)cc(c1)N[C@H]1CCC[C@H](C1)[*:1]
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nnc2n1CCC2 CC(C)(C)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1nnc2CCCn21
O=C(NC1CC1)c1ccccc1NC(=O)c1nccn2ccnc12 O=C(NC1CC1)[*:1] O=C(Nc1ccccc1[*:1])c1nccn2ccnc12
O=C(NC1CC1)c1ccccc1NC(=O)c1nccn2ccnc12 C1CC1[*:1] O=C(N[*:1])c1ccccc1NC(=O)c1nccn2ccnc12
COC(=O)c1c(NC(=O)CN2CCc3ccccc3C2)sc(C(N)=O)c1C COC(=O)[*:1] Cc1c(sc(NC(=O)CN2CCc3ccccc3C2)c1[*:1])C(N)=O
COC(=O)c1c(NC(=O)CN2CCc3ccccc3C2)sc(C(N)=O)c1C NC(=O)[*:1] COC(=O)c1c(NC(=O)CN2CCc3ccccc3C2)sc(c1C)[*:1]
CC[C@H](NC(=O)c1ccc(Br)c(F)c1)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)c1ccc(Br)c(F)c1)[*:1]
O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1CCCN1CCOCC1 C1CN(CCO1)[*:1] O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1CCC[*:1]
O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1CCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1CC[*:1]
O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1CCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1C[*:1]
O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1CCCN1CCOCC1 C(CN1CCOCC1)C[*:1] O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1[*:1]
O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1CCCN1CCOCC1 Clc1cccc(c1)[*:1] O=C1c2ccccc2N[C@@H](N1CCCN1CCOCC1)[*:1]
CCN(CCC(=O)OC)c1cncc(C(N)=O)n1 COC(=O)CC[*:1] CCN(c1cncc(n1)C(N)=O)[*:1]
CCN(CCC(=O)OC)c1cncc(C(N)=O)n1 COC(=O)C[*:1] CCN(C[*:1])c1cncc(n1)C(N)=O
CCN(CCC(=O)OC)c1cncc(C(N)=O)n1 NC(=O)[*:1] CCN(CCC(=O)OC)c1cncc(n1)[*:1]
CCN(CCC(=O)OC)c1cncc(C(N)=O)n1 COC(=O)[*:1] CCN(CC[*:1])c1cncc(n1)C(N)=O
CCc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1cc(OC)ccc1OC)CCCC3=O COc1ccc(OC)c(c1)[*:1] CCc1cc2c3C(=O)CCCc3[nH]c2cc1S(=O)(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(OCC(F)(F)F)nc1 FC(F)(F)CO[*:1] CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(nc1)[*:1]
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(OCC(F)(F)F)nc1 FC(F)(F)[*:1] CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(nc1)OC[*:1]
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(OCC(F)(F)F)nc1 CC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)c1ccc(nc1)OCC(F)(F)F
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(OCC(F)(F)F)nc1 FC(F)(F)C[*:1] CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(nc1)O[*:1]
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(OCC(F)(F)F)nc1 CC[C@H](C)NC(=O)[*:1] O=C(c1ccc(nc1)OCC(F)(F)F)N1CSC[C@@H]1[*:1]
Cc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(C(=O)c3ccco3)CC2)c1 Cc1cccc(c1)[*:1] Cc1nc2sc(c(O)n2n1)[C@@H](N1CCN(CC1)C(=O)c1ccco1)[*:1]
Cc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(C(=O)c3ccco3)CC2)c1 c1coc(c1)[*:1] Cc1cccc(c1)[C@@H](c1sc2nc(C)nn2c1O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(Cc2nnc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc1 Cc1ccc(cc1)C[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])Nc1nnc(o1)[*:1]
Cc1ccc(Cc2nnc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])Nc1nnc(C[*:1])o1
Cc1ccc(Cc2nnc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)Cc1nnc(NC(=O)Cc2ccc(cc2)[*:1])o1
O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1F c1coc(c1)[*:1] O=S(=O)(NC[C@@H]([NH+]1CCCC1)[*:1])c1ccccc1F
O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1F Fc1ccccc1[*:1] O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCC1)[*:1]
O=C(NCc1ccc(OCc2cccnc2)cc1)NNc1cccnn1 c1cncc(c1)C[*:1] O=C(NCc1ccc(cc1)O[*:1])NNc1cccnn1
O=C(NCc1ccc(OCc2cccnc2)cc1)NNc1cccnn1 c1cncc(c1)[*:1] O=C(NCc1ccc(cc1)OC[*:1])NNc1cccnn1
O=C(NCc1ccc(OCc2cccnc2)cc1)NNc1cccnn1 c1cncc(c1)CO[*:1] O=C(NCc1ccc(cc1)[*:1])NNc1cccnn1
O=C(NCc1ccc(OCc2cccnc2)cc1)NNc1cccnn1 c1cnnc(c1)[*:1] O=C(NCc1ccc(cc1)OCc1cccnc1)NN[*:1]
COC(=O)N1CCC[C@H](C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)C1 c1ccc(cc1)[*:1] COC(=O)N1CCC[C@@H](C1)C(=O)NC[C@H](C)c1nc(no1)[*:1]
C[C@H](OC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(=O)N1CCNC1=O O=C1NCCN1C(=O)[*:1] C[C@@H](C(=O)O[C@@H](C)[*:1])N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Cn1ncc2c(=O)n(CC(=O)N3CCN(c4cnccn4)CC3)cnc21 c1cnc(cn1)[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)N1CCN(CC1)[*:1]
C/C=C(/C)C(=O)NCCNC(=O)CC1CCCCC1 CC=C(C)[*:1] O=C(CC1CCCCC1)NCCNC(=O)[*:1]
C/C=C(/C)C(=O)NCCNC(=O)CC1CCCCC1 C1CCC(CC1)[*:1] C/C=C(/C)C(=O)NCCNC(=O)C[*:1]
Cc1cc(C)cc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)S(=O)(=O)N1CSC[C@@H]1[*:1]
Cc1cccc2[nH]c(CCC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)nc12 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cccc2[nH]c(CCC(=O)NC(C)(C)[*:1])nc12
Cc1cccc2[nH]c(CCC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)nc12 O=[N+]([O-])[*:1] Cc1cccc2[nH]c(CCC(=O)NC(C)(C)c3ccc(cc3)[*:1])nc12
CC1(C)CC2=C3C(=O)N(c4ccccc4)C(=S)N=C3S[C@H]2CS1 c1ccc(cc1)[*:1] CC1(C)CC2=C3C(=O)N(C(=S)N=C3S[C@H]2CS1)[*:1]
CC(C)C[C@H](C)OCc1cc(F)cc(C#CC[NH3+])c1 CC(C)C[*:1] C[C@H](OCc1cc(F)cc(C#CC[NH3+])c1)[*:1]
CC(C)C[C@H](C)OCc1cc(F)cc(C#CC[NH3+])c1 CC(C)[*:1] C[C@@H](C[*:1])OCc1cc(F)cc(C#CC[NH3+])c1
CC(C)C[C@H](C)OCc1cc(F)cc(C#CC[NH3+])c1 CC(C)C[C@H](C)[*:1] [NH3+]CC#Cc1cc(F)cc(c1)CO[*:1]
CC(C)=CC(=O)NCCCNC(=O)c1cnc2cccnn2c1=O CC(C)=CC(=O)NC[*:1] O=C(NCC[*:1])c1cnc2cccnn2c1=O
CC(C)=CC(=O)NCCCNC(=O)c1cnc2cccnn2c1=O CC(C)=C[*:1] O=C(NCCCNC(=O)[*:1])c1cnc2cccnn2c1=O
CC(C)=CC(=O)NCCCNC(=O)c1cnc2cccnn2c1=O CC(C)=CC(=O)N[*:1] O=C(NCCC[*:1])c1cnc2cccnn2c1=O
CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2SCCc3ccccc32)C1 CC(C)(C)[*:1] O=C([C@H]1SCCc2ccccc21)N1CCC[C@H](CNC(=O)[*:1])C1
CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2SCCc3ccccc32)C1 CC(C)(C)C(=O)N[*:1] O=C([C@H]1SCCc2ccccc21)N1CCC[C@@H](C1)C[*:1]
CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2SCCc3ccccc32)C1 CC(C)(C)C(=O)NC[*:1] O=C([C@H]1SCCc2ccccc21)N1CCC[C@@H](C1)[*:1]
O=C([O-])C[C@H]1CN([C@@H]2CC(=O)NC2=O)CCO1 O=C([O-])C[*:1] O=C1C[C@H](C(=O)N1)N1CCO[C@H](C1)[*:1]
O=C([O-])C[C@H]1CN([C@@H]2CC(=O)NC2=O)CCO1 O=C([O-])[*:1] O=C1C[C@H](C(=O)N1)N1CCO[C@H](C1)C[*:1]
CON(C)C(=O)CN1CC[NH+](Cc2ccco2)CC1 c1coc(c1)C[*:1] CON(C)C(=O)CN1CC[NH+](CC1)[*:1]
CON(C)C(=O)CN1CC[NH+](Cc2ccco2)CC1 c1coc(c1)[*:1] CON(C)C(=O)CN1CC[NH+](CC1)C[*:1]
CON(C)C(=O)CN1CC[NH+](Cc2ccco2)CC1 CON(C)C(=O)[*:1] c1coc(c1)C[NH+]1CCN(CC1)C[*:1]
CC[C@H]1CCC/C(=C(\C)C(=O)[O-])C1 O=C([O-])[*:1] CC[C@H]1CCCC(C1)=C(C)[*:1]
Cc1nn(C)c2c1nc(CCCl)n2[C@H]1CCC[C@H](C)[C@@H]1C ClCC[*:1] Cc1nn(C)c2c1nc(n2[C@H]1CCC[C@H](C)[C@@H]1C)[*:1]
CC(C)Cc1ccc([C@H](CC[C@@H](C)O)C(=O)[O-])cc1 CC(C)C[*:1] C[C@@H](O)CC[C@H](C(=O)[O-])c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@H](CC[C@@H](C)O)C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)Cc1ccc(cc1)[C@H](CC[C@@H](C)O)[*:1]
CC(C)Cc1ccc([C@H](CC[C@@H](C)O)C(=O)[O-])cc1 C[C@@H](O)[*:1] CC(C)Cc1ccc(cc1)[C@H](CC[*:1])C(=O)[O-]
CC(C)Cc1ccc([C@H](CC[C@@H](C)O)C(=O)[O-])cc1 CC(C)[*:1] C[C@@H](O)CC[C@H](C(=O)[O-])c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@H](CC[C@@H](C)O)C(=O)[O-])cc1 C[C@@H](O)C[*:1] CC(C)Cc1ccc(cc1)[C@H](C[*:1])C(=O)[O-]
CC(C)Cc1ccc([C@H](CC[C@@H](C)O)C(=O)[O-])cc1 C[C@@H](O)CC[*:1] CC(C)Cc1ccc(cc1)[C@H](C(=O)[O-])[*:1]
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)[C@H](O)CO OC[C@@H](O)[*:1] C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)[*:1]
O=C(Cn1cnc2onc(-c3cccc(F)c3)c2c1=O)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cn1cnc2onc(-c3cccc(F)c3)c2c1=O)NC[*:1]
O=C(Cn1cnc2onc(-c3cccc(F)c3)c2c1=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(Cn1cnc2onc(-c3cccc(F)c3)c2c1=O)N[*:1]
O=C(Cn1cnc2onc(-c3cccc(F)c3)c2c1=O)NCc1ccccc1Cl Fc1cccc(c1)[*:1] O=C(Cn1cnc2onc(c2c1=O)[*:1])NCc1ccccc1Cl
COc1cc(C#N)ccc1OCc1nc(Cc2ccccc2)no1 c1ccc(cc1)C[*:1] COc1cc(C#N)ccc1OCc1nc(no1)[*:1]
COc1cc(C#N)ccc1OCc1nc(Cc2ccccc2)no1 c1ccc(cc1)[*:1] COc1cc(C#N)ccc1OCc1nc(C[*:1])no1
CC(C)[NH+]1CCCN(C(=O)NCc2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)NC[*:1]
CC(C)[NH+]1CCCN(C(=O)NCc2ccc(Br)s2)CC1 CC(C)[*:1] O=C(NCc1ccc(Br)s1)N1CCC[NH+](CC1)[*:1]
NC(=O)c1cnc(NCc2c(F)cccc2OC(F)F)c(Cl)c1 FC(F)[*:1] NC(=O)c1cnc(NCc2c(F)cccc2O[*:1])c(Cl)c1
NC(=O)c1cnc(NCc2c(F)cccc2OC(F)F)c(Cl)c1 FC(F)O[*:1] NC(=O)c1cnc(NCc2c(F)cccc2[*:1])c(Cl)c1
NC(=O)c1cnc(NCc2c(F)cccc2OC(F)F)c(Cl)c1 NC(=O)[*:1] Fc1cccc(OC(F)F)c1CNc1ncc(cc1Cl)[*:1]
C[C@H]1CN(Cc2nc(N)nc(N(C)C)n2)CCO1 CN(C)[*:1] C[C@H]1CN(CCO1)Cc1nc(N)nc(n1)[*:1]
CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 CC(=O)N[*:1] Cc1sc(c(C(=O)O[C@@H](C)C(=O)Nc2ccc3OCCOc3c2)c1C)[*:1]
Cn1nc(CNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1-c1ccncc1 c1cc2OCOc2cc1[*:1] Cn1nc(cc1-c1ccncc1)CNC(=O)C=C[*:1]
Cn1nc(CNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1-c1ccncc1 c1cc(ccn1)[*:1] Cn1nc(cc1[*:1])CNC(=O)/C=C/c1ccc2OCOc2c1
C[NH+](C)CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccc(S(C)(=O)=O)cc2s1 FC(F)(F)c1cccc(c1)[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2ccc(cc2s1)S(C)(=O)=O
C[NH+](C)CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccc(S(C)(=O)=O)cc2s1 FC(F)(F)[*:1] C[NH+](C)CCN(C(=O)c1cccc(c1)[*:1])c1nc2ccc(cc2s1)S(C)(=O)=O
C[NH+](C)CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccc(S(C)(=O)=O)cc2s1 CS(=O)(=O)[*:1] C[NH+](C)CCN(C(=O)c1cccc(c1)C(F)(F)F)c1nc2ccc(cc2s1)[*:1]
Fc1cccc(CN2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)c1 Fc1cccc(c1)C[*:1] c1ccc(cc1)-c1ncc(CN2CCN(CC2)[*:1])[nH]1
Fc1cccc(CN2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)c1 c1ccc(cc1)[*:1] Fc1cccc(c1)CN1CCN(CC1)Cc1cnc([nH]1)[*:1]
Fc1cccc(CN2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)c1 Fc1cccc(c1)[*:1] c1ccc(cc1)-c1ncc(CN2CCN(CC2)C[*:1])[nH]1
C=CCNC(=O)COc1ccccc1C C=CC[*:1] Cc1ccccc1OCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cn(C)nc1OC COc1nn(C)cc1[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cccc(Cl)c1
CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cn(C)nc1OC Clc1cccc(c1)[*:1] CCn1c(nnc1-c1cn(C)nc1OC)SCC(=O)N[*:1]
C/C=C/c1ccc(OCC(=O)N2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 CC=C[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)COc1ccc(cc1OC)[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1coc(NC(=O)c2cccs2)n1 c1csc(c1)[*:1] O=C(Nc1ccc2OCOc2c1)c1coc(n1)NC(=O)[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1coc(NC(=O)c2cccs2)n1 O=C(N[*:1])c1cccs1 O=C(Nc1ccc2OCOc2c1)c1coc(n1)[*:1]
O=C(C[NH+](CCO)C1CC1)NC(=O)NCc1cccs1 C1CC1[*:1] O=C(C[NH+](CCO)[*:1])NC(=O)NCc1cccs1
O=C(C[NH+](CCO)C1CC1)NC(=O)NCc1cccs1 OCC[*:1] O=C(C[NH+](C1CC1)[*:1])NC(=O)NCc1cccs1
O=C(C[NH+](CCO)C1CC1)NC(=O)NCc1cccs1 c1csc(c1)C[*:1] O=C(C[NH+](CCO)C1CC1)NC(=O)N[*:1]
O=C(C[NH+](CCO)C1CC1)NC(=O)NCc1cccs1 c1csc(c1)[*:1] O=C(C[NH+](CCO)C1CC1)NC(=O)NC[*:1]
CCN[C@@H](Cc1c[nH+]ccc1N)C(C)(C)[NH+](C)C CCN[*:1] C[NH+](C)C(C)(C)[C@H](Cc1c[nH+]ccc1N)[*:1]
CCN[C@@H](Cc1c[nH+]ccc1N)C(C)(C)[NH+](C)C C[NH+](C)C(C)(C)[*:1] CCN[C@@H](Cc1c[nH+]ccc1N)[*:1]
COc1ccccc1[C@H](C)CNC(=O)Nc1nc(C(C)C)nn1C COc1ccccc1[*:1] CC(C)c1nc(NC(=O)NC[C@@H](C)[*:1])n(C)n1
COc1ccccc1[C@H](C)CNC(=O)Nc1nc(C(C)C)nn1C CC(C)[*:1] COc1ccccc1[C@H](C)CNC(=O)Nc1nc(nn1C)[*:1]
O[C@H](C[NH2+]C1COC1)c1cccc(F)c1 C1OCC1[*:1] O[C@H](C[NH2+][*:1])c1cccc(F)c1
CC(=O)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 Clc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1cc([nH]n1)[*:1]
CC(=O)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc([nH]n1)-c1cccc(Cl)c1
CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(S(N)(=O)=O)ccc1F NS(=O)(=O)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)c1cc(ccc1F)[*:1]
O=C(C1CC1)N1CCN([C@H](C(=O)N2CCOCC2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C1CC1)N1CCN(CC1)[C@H](C(=O)N1CCOCC1)[*:1]
O=C(C1CC1)N1CCN([C@H](C(=O)N2CCOCC2)c2ccccc2)CC1 O=C(N1CCOCC1)[*:1] O=C(C1CC1)N1CCN(CC1)[C@H](c1ccccc1)[*:1]
O=C(C1CC1)N1CCN([C@H](C(=O)N2CCOCC2)c2ccccc2)CC1 C1CC1[*:1] O=C([C@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1])N1CCOCC1
CCO[C@H](C)CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(C)=O)C2 c1cncc(c1)[*:1] CCO[C@H](C)CN(C)c1nc(nc2CN(CCc21)C(C)=O)[*:1]
CCO[C@H](C)CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(C)=O)C2 CCO[*:1] CC(=O)N1CCc2c(C1)nc(nc2N(C)C[C@@H](C)[*:1])-c1cccnc1
c1ccc(OCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 c1ccc(cc1)[*:1] c1ccc2[nH]c(cc2c1)-c1nn2c(CO[*:1])nnc2s1
c1ccc(OCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 c1ccc(cc1)OC[*:1] c1ccc2[nH]c(cc2c1)-c1nn2c(nnc2s1)[*:1]
c1ccc(OCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 c1ccc(cc1)O[*:1] c1ccc2[nH]c(cc2c1)-c1nn2c(C[*:1])nnc2s1
O=C(Nc1cccc(NC(=O)N2CC[C@@H](CCO)C2)c1)c1ccoc1 OCC[*:1] O=C(Nc1cccc(c1)NC(=O)N1CC[C@@H](C1)[*:1])c1ccoc1
O=C(Nc1cccc(NC(=O)N2CC[C@@H](CCO)C2)c1)c1ccoc1 c1cc(co1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])N1CC[C@@H](CCO)C1
O=C(Nc1cccc(NC(=O)N2CC[C@@H](CCO)C2)c1)c1ccoc1 O=C(N[*:1])c1ccoc1 O=C(Nc1cccc(c1)[*:1])N1CC[C@@H](CCO)C1
CCn1nc(C)c(NC(=O)N[C@H](C)c2cccc(Cl)c2)c1C Clc1cccc(c1)[*:1] CCn1nc(C)c(NC(=O)N[C@H](C)[*:1])c1C
CCS(=O)(=O)C[C@H](C)N(C)Cc1cccnc1C CCS(=O)(=O)[*:1] Cc1ncccc1CN(C)[C@@H](C)C[*:1]
CCS(=O)(=O)C[C@H](C)N(C)Cc1cccnc1C CCS(=O)(=O)C[*:1] Cc1ncccc1CN(C)[C@@H](C)[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)[O-]
O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1(CC1)[*:1]
Cc1ccc([C@H]2Cc3cc(C(=O)Nc4cccc([N+](=O)[O-])c4)ccc3C(=O)O2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@H]1Cc2cc(ccc2C(=O)O1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc([C@H]2Cc3cc(C(=O)Nc4cccc([N+](=O)[O-])c4)ccc3C(=O)O2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1ccc2C(=O)O[C@H](Cc2c1)[*:1]
Cc1ccc([C@H]2Cc3cc(C(=O)Nc4cccc([N+](=O)[O-])c4)ccc3C(=O)O2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1)[C@H]1Cc2cc(ccc2C(=O)O1)C(=O)N[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc12 CC(C)(C)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)OCC(=O)NC(=O)N[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc12 c1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)OCC(=O)NC(=O)NC(C)(C)C)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)OCc1ccsc1 c1cc(cs1)C[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)O[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)OCc1ccsc1 c1cc(cs1)[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)OC[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)OCc1ccsc1 CCC[*:1] O=C(OCc1ccsc1)[C@H]1CCCN1C(=O)[*:1]
COC(=O)c1cccc(C(=O)Nc2cc(C(C)C)c(O)cc2C)c1 COC(=O)[*:1] Cc1cc(O)c(cc1NC(=O)c1cccc(c1)[*:1])C(C)C
COC(=O)c1cccc(C(=O)Nc2cc(C(C)C)c(O)cc2C)c1 CC(C)[*:1] COC(=O)c1cccc(c1)C(=O)Nc1cc(c(O)cc1C)[*:1]
O=C(/C=C1\Sc2ccccc2NC1=O)NCCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C(/C=C1\Sc2ccccc2NC1=O)NC[*:1]
O=C(/C=C1\Sc2ccccc2NC1=O)NCCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(/C=C1\Sc2ccccc2NC1=O)NCCC[*:1]
O=C(/C=C1\Sc2ccccc2NC1=O)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(/C=C1\Sc2ccccc2NC1=O)NCC[*:1]
Cc1nc(C)c(C(=O)NC[C@@]2(O)CCc3ccccc32)s1 Cc1nc(C)c(s1)[*:1] O=C(NC[C@@]1(O)CCc2ccccc21)[*:1]
O=C(NCCCCN1CCOCC1)N1CCN(c2nccs2)CC1 C1CN(CCO1)C[*:1] O=C(NCCC[*:1])N1CCN(CC1)c1nccs1
O=C(NCCCCN1CCOCC1)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] O=C(NCCCCN1CCOCC1)N1CCN(CC1)[*:1]
O=C(NCCCCN1CCOCC1)N1CCN(c2nccs2)CC1 C1CN(CCO1)CC[*:1] O=C(NCC[*:1])N1CCN(CC1)c1nccs1
O=C(NCCCCN1CCOCC1)N1CCN(c2nccs2)CC1 C1CN(CCO1)[*:1] O=C(NCCCC[*:1])N1CCN(CC1)c1nccs1
O=C1O[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)Cc2ccccc21 Clc1ccc(cc1)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CON(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 CON(C)C(=O)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1c(C)c(C)c(C[NH2+][C@@H](C)CC(N)=O)c(C)c1C NC(=O)[*:1] Cc1c(C)c(C)c(C[NH2+][C@@H](C)C[*:1])c(C)c1C
Cc1c(C)c(C)c(C[NH2+][C@@H](C)CC(N)=O)c(C)c1C NC(=O)C[*:1] Cc1c(C)c(C)c(C[NH2+][C@@H](C)[*:1])c(C)c1C
CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(Cc4cccnc4)C3)cc(=O)[nH]2)CC1 CC(C)[*:1] O=C(N1CCC(CC1)c1nc(cc(=O)[nH]1)[C@@H]1CCCN(Cc2cccnc2)C1)[*:1]
CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(Cc4cccnc4)C3)cc(=O)[nH]2)CC1 c1cncc(c1)[*:1] CC(C)C(=O)N1CCC(CC1)c1nc(cc(=O)[nH]1)[C@@H]1CCCN(C1)C[*:1]
CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(Cc4cccnc4)C3)cc(=O)[nH]2)CC1 c1cncc(c1)C[*:1] CC(C)C(=O)N1CCC(CC1)c1nc(cc(=O)[nH]1)[C@@H]1CCCN(C1)[*:1]
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2OC)c1C COC[*:1] COc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(C[*:1])c1C
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2OC)c1C COc1c(Cl)cccc1[*:1] COCCn1c(C)cc(/C=C(/C#N)C(=O)N[*:1])c1C
COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2OC)c1C COCC[*:1] COc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(c1C)[*:1]
Cc1cn(-c2ccccc2)nc1NC(=O)c1cccc(F)c1Cl c1ccc(cc1)[*:1] Cc1cn(nc1NC(=O)c1cccc(F)c1Cl)[*:1]
O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1coc(-c2cccs2)n1 c1csc(c1)[*:1] O=c1c2cc(ccc2ncn1Cc1coc(n1)[*:1])[N+](=O)[O-]
O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1coc(-c2cccs2)n1 O=[N+]([O-])[*:1] O=c1c2cc(ccc2ncn1Cc1coc(n1)-c1cccs1)[*:1]
C[C@@H](Nc1ncccc1C#N)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H](Nc1ncccc1C#N)c1ccc(cc1)[*:1]
CC(C)c1ocnc1COc1ccc(S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)c1ocnc1COc1ccc(cc1)S(=O)(=O)[*:1]
CC(C)c1ocnc1COc1ccc(S(=O)(=O)c2ccccc2)cc1 CC(C)[*:1] O=S(=O)(c1ccccc1)c1ccc(cc1)OCc1ncoc1[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)NC3CCCCCC3)C(C)C)cc2C[C@H]1C CC(C)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@@H](C(=O)NC1CCCCCC1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)NC3CCCCCC3)C(C)C)cc2C[C@H]1C C1CCCC(CC1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@@H](C(=O)N[*:1])C(C)C
CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)NC3CCCCCC3)C(C)C)cc2C[C@H]1C O=C(NC1CCCCCC1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@@H](C(C)C)[*:1]
COc1ccc([C@@H]([NH2+][C@H]2CCN(C(C)=O)C2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H]([NH2+][C@H]1CCN(C1)C(C)=O)[*:1]
C[C@H]1CN(C(=O)CN2CCCOC2=O)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CN(CC[C@@H]1[*:1])C(=O)CN1CCCOC1=O
C[C@H]1CN(C(=O)CN2CCCOC2=O)CC[C@H]1c1ccccc1 O=C1OCCCN1[*:1] C[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)C[*:1]
COc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1C[C@@H](Nc2ncnn21)[*:1]
CC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1C c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)[C@H]1CCCN1C(=O)C[*:1]
CC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1C c1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1C)NC(=O)[C@H]1CCCN1C(=O)[*:1]
CC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1
CCOc1ccc(/C=N/N=C2/NC(=O)[C@@H](C)S2)cc1 CCO[*:1] C[C@H]1S/C(=N\N=C\c2ccc(cc2)[*:1])NC1=O
Cc1nn(C[NH+](Cc2ccc(F)cc2F)C2CC2)c(=S)n1CC(=O)N(C)C CN(C)C(=O)C[*:1] Cc1nn(C[NH+](Cc2ccc(F)cc2F)C2CC2)c(=S)n1[*:1]
Cc1nn(C[NH+](Cc2ccc(F)cc2F)C2CC2)c(=S)n1CC(=O)N(C)C Fc1ccc(C[*:1])c(F)c1 Cc1nn(C[NH+](C2CC2)[*:1])c(=S)n1CC(=O)N(C)C
Cc1nn(C[NH+](Cc2ccc(F)cc2F)C2CC2)c(=S)n1CC(=O)N(C)C C1CC1[*:1] Cc1nn(C[NH+](Cc2ccc(F)cc2F)[*:1])c(=S)n1CC(=O)N(C)C
Cc1nn(C[NH+](Cc2ccc(F)cc2F)C2CC2)c(=S)n1CC(=O)N(C)C Fc1ccc(c(F)c1)[*:1] Cc1nn(C[NH+](C[*:1])C2CC2)c(=S)n1CC(=O)N(C)C
Cc1nn(C[NH+](Cc2ccc(F)cc2F)C2CC2)c(=S)n1CC(=O)N(C)C CN(C)C(=O)[*:1] Cc1nn(C[NH+](Cc2ccc(F)cc2F)C2CC2)c(=S)n1C[*:1]
Cn1ccnc1[C@@H](NC(=O)N1CCC2(CCCCC2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)N1CCC2(CCCCC2)C1)[*:1]
Cn1ccnc1[C@@H](NC(=O)N1CCC2(CCCCC2)C1)c1ccc(F)cc1 Cn1ccnc1[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])N1CCC2(CCCCC2)C1
CCNC(=O)c1ccc(N[C@@H]2CS[C@H](C)C2)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1N[C@@H]1CS[C@H](C)C1)[*:1]
Cc1c(C(=O)Nc2ccc3[nH]ccc3c2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc2[nH]ccc2c1
COc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 Clc1ccccc1C=C[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)c1oc(nc1C#N)[*:1]
COc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)c1oc(C=C[*:1])nc1C#N
COc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 COc1ccc(cc1)[*:1] N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(CC1)C(=O)[*:1]
CC(=O)N(C(C)=O)c1ccc(C(C)(C)c2ccc(N(C(C)=O)C(C)=O)cc2)cc1 CC(=O)N(C(C)=O)[*:1] CC(=O)N(C(C)=O)c1ccc(cc1)C(C)(C)c1ccc(cc1)[*:1]
O=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 Fc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])C(=O)Nc1cccc(c1)N1CCCCC1=O
O=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 O=C1CCCCN1[*:1] O=C(NCC1(CCOCC1)c1ccc(F)cc1)C(=O)Nc1cccc(c1)[*:1]
Cc1nc(C)c([C@H](C)NC(=O)c2n[nH]c(C3CC3)n2)s1 C1CC1[*:1] Cc1nc(C)c(s1)[C@H](C)NC(=O)c1n[nH]c(n1)[*:1]
CCC(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)NC(=S)NC(=O)C=C[*:1]
CCC(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 CCC(=O)N[*:1] O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 C(=C[*:1])c1ccccc1 CCC(=O)Nc1ccc(cc1)NC(=S)NC(=O)[*:1]
CCC[C@H]1CN(C(=O)CC2CCC2)CCO1 C1CC(C1)[*:1] CCC[C@H]1CN(CCO1)C(=O)C[*:1]
CCC[C@H]1CN(C(=O)CC2CCC2)CCO1 CCC[*:1] O=C(CC1CCC1)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)CC2CCC2)CCO1 C1CC(C1)C[*:1] CCC[C@H]1CN(CCO1)C(=O)[*:1]
CC[NH+](CCCCS)C1CC1 SCC[*:1] CC[NH+](CC[*:1])C1CC1
CC[NH+](CCCCS)C1CC1 C1CC1[*:1] CC[NH+](CCCCS)[*:1]
COC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2ccccc2n1
N#Cc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] N#Cc1ccc(/C=C/c2ccc(cc2)[*:1])cc1
O=S(=O)(NC1CCCCC1)c1ccc(-n2cc(Br)cn2)cc1 C1CCC(CC1)[*:1] O=S(=O)(N[*:1])c1ccc(cc1)-n1cc(Br)cn1
O=S(=O)(NC1CCCCC1)c1ccc(-n2cc(Br)cn2)cc1 Brc1cnn(c1)[*:1] O=S(=O)(NC1CCCCC1)c1ccc(cc1)[*:1]
Cc1cnc2c(c1)nc(CCl)n2[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cnc2c(c1)nc(CCl)n2[C@@H](C)[*:1]
O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(NNC(=O)[*:1])c1ccc2ccccc2c1
COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NS(=O)(=O)c4cccc5cccnc45)CO[C@H]23)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NS(=O)(=O)c1cccc2cccnc12
COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NS(=O)(=O)c4cccc5cccnc45)CO[C@H]23)cc1 c1cnc2c(cccc2c1)[*:1] COc1ccc(cc1)NC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NS(=O)(=O)[*:1]
C[C@@H](NC(=O)CCCNC(=O)c1ccco1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)CCCNC(=O)c1ccco1)[*:1]
C[C@@H](NC(=O)CCCNC(=O)c1ccco1)c1ccc(Cl)s1 c1coc(c1)[*:1] C[C@@H](NC(=O)CCCNC(=O)[*:1])c1ccc(Cl)s1
Cc1ccc(C(=O)NCCNC(=O)c2ccccc2Br)cc1F Brc1ccccc1[*:1] Cc1ccc(cc1F)C(=O)NCCNC(=O)[*:1]
O=C(CSc1nc([O-])c2c(n1)CC[NH+](Cc1ccccc1)C2)NCc1cccs1 c1csc(c1)[*:1] O=C(CSc1nc([O-])c2C[NH+](CCc2n1)Cc1ccccc1)NC[*:1]
O=C(CSc1nc([O-])c2c(n1)CC[NH+](Cc1ccccc1)C2)NCc1cccs1 O=C(NCc1cccs1)[*:1] [O-]c1nc(nc2CC[NH+](Cc3ccccc3)Cc12)SC[*:1]
O=C(CSc1nc([O-])c2c(n1)CC[NH+](Cc1ccccc1)C2)NCc1cccs1 c1ccc(cc1)C[*:1] O=C(CSc1nc([O-])c2C[NH+](CCc2n1)[*:1])NCc1cccs1
O=C(CSc1nc([O-])c2c(n1)CC[NH+](Cc1ccccc1)C2)NCc1cccs1 c1csc(c1)C[*:1] O=C(CSc1nc([O-])c2C[NH+](CCc2n1)Cc1ccccc1)N[*:1]
O=C(CSc1nc([O-])c2c(n1)CC[NH+](Cc1ccccc1)C2)NCc1cccs1 c1ccc(cc1)[*:1] O=C(CSc1nc([O-])c2C[NH+](CCc2n1)C[*:1])NCc1cccs1
Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5cccnc5)nc34)c12 c1cncc(c1)[*:1] Cc1cc(nc2sc3c(ncn4nc(nc34)[*:1])c12)C(F)(F)F
Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5cccnc5)nc34)c12 FC(F)(F)[*:1] Cc1cc(nc2sc3c(ncn4nc(nc34)-c3cccnc3)c12)[*:1]
C1=CC[C@H]([NH2+]Cc2nccn2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C1=CC[C@@H](CC1)[NH2+]Cc1nccn1C[*:1]
Cn1cnn(CC(=O)NC[C@@H](O)c2ccc(Cl)s2)c1=O Clc1ccc(s1)[*:1] Cn1cnn(CC(=O)NC[C@@H](O)[*:1])c1=O
CCc1ccc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)s1 C1CN(CCO1)[*:1] CCc1ccc(s1)C(=O)N1CCc2c(C1)ncnc2[*:1]
CCc1ccc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)s1 CCc1ccc(s1)[*:1] O=C(N1CCc2c(C1)ncnc2N1CCOCC1)[*:1]
COc1ccc(CNC(=O)N(C)Cc2ncnn2C)cc1OC(F)F Cn1ncnc1[*:1] COc1ccc(cc1OC(F)F)CNC(=O)N(C)C[*:1]
COc1ccc(CNC(=O)N(C)Cc2ncnn2C)cc1OC(F)F Cn1ncnc1C[*:1] COc1ccc(cc1OC(F)F)CNC(=O)N(C)[*:1]
COc1ccc(CNC(=O)N(C)Cc2ncnn2C)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CNC(=O)N(C)Cc1ncnn1C
COc1ccc(CNC(=O)N(C)Cc2ncnn2C)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CNC(=O)N(C)Cc1ncnn1C
O=C(Nc1ccc(Br)c2cccnc12)[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Br)c2cccnc12)[C@@H]1C[C@@H]1[*:1]
Cn1c(COC(=O)CCc2ncc(-c3ccccc3F)o2)cc(=O)n(C)c1=O Fc1ccccc1[*:1] Cn1c(cc(=O)n(C)c1=O)COC(=O)CCc1ncc(o1)[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)n1 CS(=O)(=O)C[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)N(C)[C@@H](C)[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)n1 CS(=O)(=O)[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)N(C)[C@@H](C)C[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](CS(C)(=O)=O)N(C)C(=O)Nc1ccccc1[*:1]
COC(=O)Cn1/c(=N\C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc(C)ccc21 COC(=O)C[*:1] Cc1ccc2c(c1)s/c(=N/C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)n2[*:1]
COC(=O)Cn1/c(=N\C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc(C)ccc21 COC(=O)[*:1] Cc1ccc2c(c1)s/c(=N/C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)n2C[*:1]
COC(=O)Cn1/c(=N\C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc2cc(C)ccc21 c1csc(c1)[*:1] COC(=O)Cn1/c(=N\C(=O)[C@@H]2CCCN2S(=O)(=O)[*:1])sc2cc(C)ccc21
CCN[C@]1(C#N)CCCC1(C)C CCN[*:1] CC1(C)CCC[C@]1(C#N)[*:1]
O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[*:1]
O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[C@@H]1CCOC1 FC(F)(F)[*:1] O=C(N[C@H]1CCC[C@H]1c1ccccc1[*:1])[C@@H]1CCOC1
COc1ccccc1-c1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 O=[N+]([O-])[*:1] COc1ccccc1-c1nnc(NC(=O)c2cc(Cl)ccc2[*:1])o1
COc1ccccc1-c1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 COc1ccccc1[*:1] O=C(Nc1nnc(o1)[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
Cc1cc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)nn1C Cc1cc(nn1C)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1NC(=O)[*:1]
C[C@@H]1C[C@H]1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@H]1NC(=O)c1ccccc1NS(=O)(=O)[*:1]
Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1 Cc1cccc(C)c1[*:1] Cc1cc2N(Cc3ccc(cc3)C(=O)N[*:1])C(=O)CCn2n1
Cc1ccncc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 Cc1ccncc1[*:1] O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
Cc1ccncc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 C1CC1[*:1] Cc1ccncc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
O=C([O-])c1ccc2nc(-c3c[nH]nc3-c3ccc(F)cc3F)[nH]c2c1 O=C([O-])[*:1] Fc1ccc(c(F)c1)-c1n[nH]cc1-c1nc2ccc(cc2[nH]1)[*:1]
O=C([O-])c1ccc2nc(-c3c[nH]nc3-c3ccc(F)cc3F)[nH]c2c1 Fc1ccc(c(F)c1)[*:1] O=C([O-])c1ccc2nc([nH]c2c1)-c1c[nH]nc1[*:1]
COc1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)[C@H](C)NC(=O)N1CCO[C@@H](C1)[*:1]
Cc1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N(CCC#N)C1CC1
Cc1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1[N+](=O)[O-] N#CC[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N(C[*:1])C1CC1
Cc1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1[N+](=O)[O-] N#CCC[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N(C1CC1)[*:1]
Cc1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1[N+](=O)[O-] C1CC1[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N(CCC#N)[*:1]
COc1ccccc1N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1 COc1ccccc1[*:1] O[C@@H](COc1cccc2ccccc12)CN1CCN(CC1)[*:1]
NC(=O)NCc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1 NC(=O)N[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cc(Cl)ccc1O
NC(=O)NCc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1 NC(=O)NC[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(Cl)ccc1O
C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@H](C1)C[*:1]
C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H](Cc2ccccc2)C1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])NC(=O)N1CC[C@@H](Cc2ccccc2)C1
C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H](Cc2ccccc2)C1 CS(=O)(=O)C[*:1] C[C@@H](NC(=O)N1CC[C@@H](Cc2ccccc2)C1)[*:1]
C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H](C1)[*:1]
C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H](Cc2ccccc2)C1 C[C@@H](CS(C)(=O)=O)[*:1] O=C(N[*:1])N1CC[C@@H](Cc2ccccc2)C1
CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)cc1 CCO[*:1] CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@H](C)c1ccc(cc1)[*:1]
CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)cc1 CC(C)[*:1] CCOc1ccc(cc1)[C@@H](C)[NH2+]C[C@@H]1CCCO[C@H]1[*:1]
Cc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)o1 Clc1ccc(cc1Cl)[*:1] Cc1ccc(CN(C)C(=O)c2cccc(c2)[N-]S(=O)(=O)[*:1])o1
Cc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)c1cccc(c1)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)[*:1]
Cc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1
CC/[NH+]=C(/NC[C@@H](C)c1ccsc1)N1CCN(c2cccc[nH+]2)CC1 c1cc(cs1)[*:1] CC/[NH+]=C(/NC[C@@H](C)[*:1])N1CCN(CC1)c1cccc[nH+]1
CC/[NH+]=C(/NC[C@@H](C)c1ccsc1)N1CCN(c2cccc[nH+]2)CC1 c1ccc([nH+]c1)[*:1] CC/[NH+]=C(/NC[C@@H](C)c1ccsc1)N1CCN(CC1)[*:1]
CC/[NH+]=C(/NC[C@@H](C)c1ccsc1)N1CCN(c2cccc[nH+]2)CC1 C[C@@H](c1ccsc1)[*:1] CC/[NH+]=C(/NC[*:1])N1CCN(CC1)c1cccc[nH+]1
CC/[NH+]=C(/NC[C@@H](C)c1ccsc1)N1CCN(c2cccc[nH+]2)CC1 C[C@H](C[*:1])c1ccsc1 CC/[NH+]=C(/N[*:1])N1CCN(CC1)c1cccc[nH+]1
CCOC(=O)C[C@H](C)CNC(=O)Nc1cc(F)c(F)c(F)c1 CCOC(=O)[*:1] C[C@H](CNC(=O)Nc1cc(F)c(F)c(F)c1)C[*:1]
CCOC(=O)C[C@H](C)CNC(=O)Nc1cc(F)c(F)c(F)c1 CCOC(=O)C[*:1] C[C@H](CNC(=O)Nc1cc(F)c(F)c(F)c1)[*:1]
CCO[C@H]1C[C@H](NC(=O)CCn2ccccc2=O)C12CCCC2 O=c1ccccn1[*:1] CCO[C@H]1C[C@H](NC(=O)CC[*:1])C12CCCC2
CCO[C@H]1C[C@H](NC(=O)CCn2ccccc2=O)C12CCCC2 CCO[*:1] O=C(CCn1ccccc1=O)N[C@H]1C[C@@H](C12CCCC2)[*:1]
C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(CCC#N)CCC#N)cc2[N+](=O)[O-])C1 N#CC[*:1] C[C@H]1C[C@@H](C)CN(C1)c1ccc(cc1[N+](=O)[O-])C(=O)N(CCC#N)C[*:1]
C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(CCC#N)CCC#N)cc2[N+](=O)[O-])C1 N#CCC[*:1] C[C@H]1C[C@@H](C)CN(C1)c1ccc(cc1[N+](=O)[O-])C(=O)N(CCC#N)[*:1]
C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N(CCC#N)CCC#N)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1C[C@@H](C)CN(C1)c1ccc(cc1[*:1])C(=O)N(CCC#N)CCC#N
C[C@H]1CC(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)C[C@H](C)O1 O=C(N[*:1])C1CCC1 C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1cccc(c1)[*:1]
C[C@H]1CC(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)C[C@H](C)O1 C1CC(C1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1cccc(c1)NC(=O)[*:1]
CCOC[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 CCO[*:1] CN1C(=O)C[C@H](C(=O)N2CC[C@@H](C2)C[*:1])[C@H]1c1cccnc1
CCOC[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 c1cncc(c1)[*:1] CCOC[C@H]1CCN(C1)C(=O)[C@H]1CC(=O)N(C)[C@H]1[*:1]
CCOC[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 CCOC[*:1] CN1C(=O)C[C@H](C(=O)N2CC[C@@H](C2)[*:1])[C@H]1c1cccnc1
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCCNS(C)(=O)=O CS(=O)(=O)N[*:1] C[C@H]1CN(CCN1C(=O)NCC[*:1])Cc1ccccc1
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCCNS(C)(=O)=O c1ccc(cc1)C[*:1] C[C@H]1CN(CCN1C(=O)NCCNS(C)(=O)=O)[*:1]
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCCNS(C)(=O)=O CS(=O)(=O)NC[*:1] C[C@H]1CN(CCN1C(=O)NC[*:1])Cc1ccccc1
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCCNS(C)(=O)=O c1ccc(cc1)[*:1] C[C@H]1CN(CCN1C(=O)NCCNS(C)(=O)=O)C[*:1]
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCCNS(C)(=O)=O CS(=O)(=O)NCC[*:1] C[C@H]1CN(CCN1C(=O)N[*:1])Cc1ccccc1
CN(c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccc(Cl)cc1 c1cc2OCOc2cc1C[*:1] CN(c1ccc(cc1)C(=O)N[*:1])S(=O)(=O)c1ccc(Cl)cc1
CN(c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccc(Cl)cc1 c1cc2OCOc2cc1[*:1] CN(c1ccc(cc1)C(=O)NC[*:1])S(=O)(=O)c1ccc(Cl)cc1
CN(c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(c1ccc(cc1)C(=O)NCc1ccc2OCOc2c1)S(=O)(=O)[*:1]
Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)c(Cl)c1
Cn1c(-c2nc(CC(=O)Nc3ccccc3)no2)cccc1=O c1ccc(cc1)[*:1] Cn1c(cccc1=O)-c1nc(CC(=O)N[*:1])no1
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@@H]3C[C@@H](O)[C@@]2(O)C1 CC(=O)[*:1] CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@@]54[*:1])[C@@H]3C[C@@H](O)[C@@]2(O)C1
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@@H]3C[C@@H](O)[C@@]2(O)C1 CC(=O)O[*:1] CC(=O)[C@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@@H]3CC[C@@]12C)[*:1]
O=C(CC[NH+]1CCN(c2ccccc2O)CC1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccc1O)N[*:1]
O=C(CC[NH+]1CCN(c2ccccc2O)CC1)Nc1ccc(Cl)cc1 Oc1ccccc1[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])Nc1ccc(Cl)cc1
CCCCNC(=O)NNC(=O)c1c[nH]c(=S)n1-c1ccccc1 c1ccc(cc1)[*:1] CCCCNC(=O)NNC(=O)c1c[nH]c(=S)n1[*:1]
CCCCNC(=O)NNC(=O)c1c[nH]c(=S)n1-c1ccccc1 CCC[*:1] O=C(NC[*:1])NNC(=O)c1c[nH]c(=S)n1-c1ccccc1
CCCCNC(=O)NNC(=O)c1c[nH]c(=S)n1-c1ccccc1 CCCC[*:1] O=C(NNC(=O)c1c[nH]c(=S)n1-c1ccccc1)N[*:1]
N#C[C@@]1(NC2CC2)CC[C@@H](Oc2ccc(F)cc2F)C1 C1CC1N[*:1] N#C[C@]1(CC[C@H](C1)Oc1ccc(F)cc1F)[*:1]
N#C[C@@]1(NC2CC2)CC[C@@H](Oc2ccc(F)cc2F)C1 C1CC1[*:1] N#C[C@]1(CC[C@H](C1)Oc1ccc(F)cc1F)N[*:1]
O=C(Cc1cccc(OCc2cccnc2)c1)N1C[C@H]2CCC[C@H]2C1 c1cncc(c1)C[*:1] O=C(Cc1cccc(c1)O[*:1])N1C[C@H]2CCC[C@H]2C1
O=C(Cc1cccc(OCc2cccnc2)c1)N1C[C@H]2CCC[C@H]2C1 c1cncc(c1)[*:1] O=C(Cc1cccc(c1)OC[*:1])N1C[C@H]2CCC[C@H]2C1
O=C(Cc1cccc(OCc2cccnc2)c1)N1C[C@H]2CCC[C@H]2C1 c1cncc(c1)CO[*:1] O=C(Cc1cccc(c1)[*:1])N1C[C@H]2CCC[C@H]2C1
COc1cccc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)n1 c1ccc(cc1)[*:1] COc1cccc(n1)C(=O)N1CCC[C@](C)(C1)[*:1]
CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCNC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCCN(C)C(=O)NCCCCSC CSCC[*:1] CCCN(C)C(=O)NCC[*:1]
CCCN(C)C(=O)NCCCCSC CCC[*:1] CSCCCCNC(=O)N(C)[*:1]
CCCN(C)C(=O)NCCCCSC CSC[*:1] CCCN(C)C(=O)NCCC[*:1]
C[C@@H](CC(=O)Nc1ccccc1SC(F)F)NC(=O)c1ccccc1 FC(F)S[*:1] C[C@@H](CC(=O)Nc1ccccc1[*:1])NC(=O)c1ccccc1
C[C@@H](CC(=O)Nc1ccccc1SC(F)F)NC(=O)c1ccccc1 FC(F)[*:1] C[C@@H](CC(=O)Nc1ccccc1S[*:1])NC(=O)c1ccccc1
C[C@@H](CC(=O)Nc1ccccc1SC(F)F)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)Nc1ccccc1SC(F)F)NC(=O)[*:1]
CCc1cc(=O)oc2c3c(cc(OCC(=O)NCC(=O)[O-])c12)OC(C)(C)CC3 O=C([O-])CNC(=O)C[*:1] CCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(O[*:1])c12
CCc1cc(=O)oc2c3c(cc(OCC(=O)NCC(=O)[O-])c12)OC(C)(C)CC3 O=C([O-])CNC(=O)[*:1] CCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OC[*:1])c12
CCc1cc(=O)oc2c3c(cc(OCC(=O)NCC(=O)[O-])c12)OC(C)(C)CC3 O=C([O-])CNC(=O)CO[*:1] CCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(c12)[*:1]
CCc1cc(=O)oc2c3c(cc(OCC(=O)NCC(=O)[O-])c12)OC(C)(C)CC3 O=C([O-])[*:1] CCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NC[*:1])c12
CCc1cc(=O)oc2c3c(cc(OCC(=O)NCC(=O)[O-])c12)OC(C)(C)CC3 O=C([O-])C[*:1] CCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N[*:1])c12
Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 O=C([O-])[*:1] Cc1sc(nc1-c1ccc(cc1)C(C)C)NC(=O)[C@@H]1CC=CC[C@@H]1[*:1]
Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1sc(nc1-c1ccc(cc1)[*:1])NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]
Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 CC(C)c1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]
C=CC[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1 C=CC[*:1] Nc1cc(=O)[nH]c(n1)S[C@@H](c1ccccc1)[*:1]
C=CC[C@@H](Sc1nc(N)cc(=O)[nH]1)c1ccccc1 c1ccc(cc1)[*:1] C=CC[C@@H](Sc1nc(N)cc(=O)[nH]1)[*:1]
Cc1nn(C)cc1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1nn(C)cc1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1[*:1]
Cc1nn(C)cc1C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F Cc1nn(C)cc1[*:1] O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[*:1]
CCOc1ccc(CN2CCN(C(=O)N[C@@H](C)COC)CC2)cc1 COC[*:1] CCOc1ccc(cc1)CN1CCN(CC1)C(=O)N[C@@H](C)[*:1]
CCOc1ccc(CN2CCN(C(=O)N[C@@H](C)COC)CC2)cc1 CCO[*:1] COC[C@H](C)NC(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 Fc1ccc(c(F)c1F)[*:1] COc1ccccc1NS(=O)(=O)c1ccc(C)c(c1)NS(=O)(=O)[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 COc1ccccc1[*:1] Cc1ccc(cc1NS(=O)(=O)c1ccc(F)c(F)c1F)S(=O)(=O)N[*:1]
C[C@H](NC(=O)c1ccncc1F)c1cccc(-n2cccn2)c1 Fc1cnccc1[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)c1ccncc1F)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)c1ccncc1F)c1cccc(c1)[*:1]
CC(C)CC[C@](C)(O)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] CC(C)CC[C@](C)(O)CNC(=O)c1c[nH]c2ccc(cc12)[*:1]
CC(C)CC[C@](C)(O)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 CC(C)[*:1] C[C@](O)(CC[*:1])CNC(=O)c1c[nH]c2ccc(cc12)[N+](=O)[O-]
CC(C)CC[C@](C)(O)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 CC(C)C[*:1] C[C@@](O)(CNC(=O)c1c[nH]c2ccc(cc12)[N+](=O)[O-])C[*:1]
CC(C)CC[C@](C)(O)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 CC(C)CC[*:1] C[C@](O)(CNC(=O)c1c[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
Cc1ccc(NC(=O)[C@@H](C)O/N=C/C(=O)Nc2ccc(F)cc2)cc1F Fc1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)[C@@H](C)O/N=C/C(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H](C)O/N=C/C(=O)Nc2ccc(F)cc2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](O/N=C/C(=O)Nc1ccc(F)cc1)C(=O)N[*:1]
CC(C)[C@H](CNCc1ncc(-c2ccccc2)s1)c1cccnc1 CC(C)[*:1] c1ccc(cc1)-c1cnc(CNC[C@H](c2cccnc2)[*:1])s1
CC(C)[C@H](CNCc1ncc(-c2ccccc2)s1)c1cccnc1 c1ccc(cc1)[*:1] CC(C)[C@H](CNCc1ncc(s1)[*:1])c1cccnc1
CC(C)[C@H](CNCc1ncc(-c2ccccc2)s1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H](CNCc1ncc(s1)-c1ccccc1)[*:1]
O=C([O-])c1ccc2c(c1)[N-]C1=NS(=O)(=O)N=C1N2 O=C([O-])[*:1] O=S1(=O)N=C2[N-]c3cc(ccc3NC2=N1)[*:1]
NC(=O)[C@H](OC(=O)CCc1ccccc1)c1ccc(F)cc1 NC(=O)[*:1] O=C(CCc1ccccc1)O[C@H](c1ccc(F)cc1)[*:1]
NC(=O)[C@H](OC(=O)CCc1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@H](OC(=O)CCc1ccccc1)[*:1]
NC(=O)[C@H](OC(=O)CCc1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] NC(=O)[C@H](OC(=O)CC[*:1])c1ccc(F)cc1
NC(=O)[C@H](OC(=O)CCc1ccccc1)c1ccc(F)cc1 c1ccc(cc1)C[*:1] NC(=O)[C@H](OC(=O)C[*:1])c1ccc(F)cc1
CCC(=O)N1C[C@H](c2ccccc2)OCC1(C)C c1ccc(cc1)[*:1] CCC(=O)N1C[C@H](OCC1(C)C)[*:1]
O=C(CCN1CCCCO1)N1CCO[C@@H](CC2CCCCC2)C1 C1CCC(CC1)C[*:1] O=C(CCN1CCCCO1)N1CCO[C@@H](C1)[*:1]
O=C(CCN1CCCCO1)N1CCO[C@@H](CC2CCCCC2)C1 C1CCC(CC1)[*:1] O=C(CCN1CCCCO1)N1CCO[C@H](C1)C[*:1]
O=C(CCN1CCCCO1)N1CCO[C@@H](CC2CCCCC2)C1 C1CCN(C[*:1])OC1 O=C(C[*:1])N1CCO[C@@H](CC2CCCCC2)C1
O=C(CCN1CCCCO1)N1CCO[C@@H](CC2CCCCC2)C1 C1CCN(OC1)[*:1] O=C(CC[*:1])N1CCO[C@@H](CC2CCCCC2)C1
CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 c1ccc(cc1)C[*:1] CN(C[*:1])S(=O)(=O)c1ccc2NC(=O)CCc2c1
CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 c1ccc(cc1)[*:1] CN(CC[*:1])S(=O)(=O)c1ccc2NC(=O)CCc2c1
CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 c1ccc(cc1)CC[*:1] CN(S(=O)(=O)c1ccc2NC(=O)CCc2c1)[*:1]
O=C(COc1ccc2ccccc2c1)NCC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(COc1ccc2ccccc2c1)NCC1(CCC1)[*:1]
C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)c1cc(ccc1F)S(N)(=O)=O)[*:1]
C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccccc1Cl NS(=O)(=O)[*:1] C[C@@H](NC(=O)c1cc(ccc1F)[*:1])c1ccccc1Cl
CC(=O)Nc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 CC(=O)N[*:1] O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1cccc(c1)[*:1]
Fc1ccccc1N1CCN(C(=S)NCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] Fc1ccccc1N1CCN(CC1)C(=S)N[*:1]
Fc1ccccc1N1CCN(C(=S)NCCc2ccccc2)CC1 Fc1ccccc1[*:1] S=C(NCCc1ccccc1)N1CCN(CC1)[*:1]
Fc1ccccc1N1CCN(C(=S)NCCc2ccccc2)CC1 c1ccc(cc1)[*:1] Fc1ccccc1N1CCN(CC1)C(=S)NCC[*:1]
Fc1ccccc1N1CCN(C(=S)NCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] Fc1ccccc1N1CCN(CC1)C(=S)NC[*:1]
COc1ccc2ccccc2c1C[NH+]1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc2ccccc2c1C[NH+]1CCN(CC1)C(=O)[*:1]
COc1ccc(F)cc1NC(=O)c1cccc(N2CCNC2=O)c1C O=C1NCCN1[*:1] COc1ccc(F)cc1NC(=O)c1cccc(c1C)[*:1]
CC[NH2+][C@@H](CC[C@@H]1CCCCO1)Cc1ncccc1C C1CC[C@H](OC1)[*:1] CC[NH2+][C@@H](CC[*:1])Cc1ncccc1C
CN(C)Nc1cncc(/C(N)=[NH+]/N(C)C)n1 CN(C)N[*:1] CN(C)/[NH+]=C(\N)c1cncc(n1)[*:1]
C/[NH+]=C(/NCc1ccnn1C)N(C)Cc1ccc(SC)cc1 Cn1nccc1C[*:1] C/[NH+]=C(/N[*:1])N(C)Cc1ccc(cc1)SC
C/[NH+]=C(/NCc1ccnn1C)N(C)Cc1ccc(SC)cc1 Cn1nccc1[*:1] C/[NH+]=C(/NC[*:1])N(C)Cc1ccc(cc1)SC
Cc1ccc(NC(=O)NC(=O)CSc2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(NC(=O)NC(=O)CS[*:1])c(C)c1
COc1ccc(OCC(=O)N/N=C(\C)c2ccccc2)c(I)c1 c1ccc(cc1)[*:1] COc1ccc(OCC(=O)NN=C(C)[*:1])c(I)c1
C=CCn1nc(C(=O)[O-])c2c1CC[C@@H](NCc1nc(C)cc(=O)[nH]1)C2 O=C([O-])[*:1] C=CCn1nc(c2C[C@@H](CCc21)NCc1nc(C)cc(=O)[nH]1)[*:1]
C=CCn1nc(C(=O)[O-])c2c1CC[C@@H](NCc1nc(C)cc(=O)[nH]1)C2 C=CC[*:1] Cc1cc(=O)[nH]c(CN[C@@H]2CCc3c(C2)c(nn3[*:1])C(=O)[O-])n1
C=CCn1nc(C(=O)[O-])c2c1CC[C@@H](NCc1nc(C)cc(=O)[nH]1)C2 Cc1cc(=O)[nH]c(n1)[*:1] C=CCn1nc(C(=O)[O-])c2C[C@@H](CCc21)NC[*:1]
CCCNC(=O)CNC(=O)c1cccs1 CCC[*:1] O=C(CNC(=O)c1cccs1)N[*:1]
CCCNC(=O)CNC(=O)c1cccs1 c1csc(c1)[*:1] CCCNC(=O)CNC(=O)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)c1ccccc1Cn1cncn1 CC[C@H](C)[*:1] C[C@@H](C[*:1])NC(=O)c1ccccc1Cn1cncn1
CC[C@H](C)C[C@H](C)NC(=O)c1ccccc1Cn1cncn1 CC[C@H](C)C[*:1] C[C@H](NC(=O)c1ccccc1Cn1cncn1)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)c1ccccc1Cn1cncn1 c1ncn(C[*:1])n1 CC[C@H](C)C[C@H](C)NC(=O)c1ccccc1[*:1]
CC[C@H](C)C[C@H](C)NC(=O)c1ccccc1Cn1cncn1 c1ncn(n1)[*:1] CC[C@H](C)C[C@H](C)NC(=O)c1ccccc1C[*:1]
CCCc1noc(CNc2cc([N+](=O)[O-])ccc2C)n1 O=[N+]([O-])[*:1] CCCc1noc(CNc2cc(ccc2C)[*:1])n1
CCCc1noc(CNc2cc([N+](=O)[O-])ccc2C)n1 CCC[*:1] Cc1ccc(cc1NCc1nc(no1)[*:1])[N+](=O)[O-]
CC(C)(C)c1cc(N)nc([C@H]2CN3CCC[C@@H]3CO2)n1 CC(C)(C)[*:1] Nc1cc(nc(n1)[C@H]1CN2CCC[C@@H]2CO1)[*:1]
COCCC(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CCN(C(C)=O)C2 COC[*:1] CC(=O)N1CCc2nc(nc(O)c2C1)[C@H]1CCCCN1C(=O)C[*:1]
COCCC(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CCN(C(C)=O)C2 COCC[*:1] CC(=O)N1CCc2nc(nc(O)c2C1)[C@H]1CCCCN1C(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@H](C)C(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)N[C@H](C)[*:1])S(=O)(=O)N1CCCCC1
NC1=[NH+]C[C@H](C2CCCC2)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] NC1=[NH+]C[C@H](C2CCCC2)N1C[*:1]
NC1=[NH+]C[C@H](C2CCCC2)N1C[C@@H]1CCCO1 C1CCC(C1)[*:1] NC1=[NH+]C[C@H](N1C[C@@H]1CCCO1)[*:1]
Cc1ccc([C@@H]2CCCN2c2ncnc3nc(N)ccc23)o1 Cc1ccc(o1)[*:1] Nc1ccc2c(ncnc2n1)N1CCC[C@H]1[*:1]
COc1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2C)c(OC)c1 Cc1ccccc1[*:1] COc1ccc(CN(C[C@@H]2CCCO2)C(=O)N[*:1])c(c1)OC
CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1csc(Cc3ccccc3)n1)C2 c1ccc(cc1)[*:1] CN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)c1csc(C[*:1])n1
CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1csc(Cc3ccccc3)n1)C2 c1ccc(cc1)C[*:1] CN1C(=O)[C@H]2CC[C@@H]1CN(C2)C(=O)c1csc(n1)[*:1]
O=C(O[C@H](c1ccccc1)c1nccs1)[C@H]1CCc2cn[nH]c2C1 c1csc(n1)[*:1] O=C(O[C@H](c1ccccc1)[*:1])[C@H]1CCc2cn[nH]c2C1
O=C(O[C@H](c1ccccc1)c1nccs1)[C@H]1CCc2cn[nH]c2C1 c1ccc(cc1)[*:1] O=C(O[C@H](c1nccs1)[*:1])[C@H]1CCc2cn[nH]c2C1
C[C@@H](NC(=O)CSc1nnc(CO)n1C1CC1)c1ccccc1 C1CC1[*:1] C[C@@H](NC(=O)CSc1nnc(CO)n1[*:1])c1ccccc1
C[C@@H](NC(=O)CSc1nnc(CO)n1C1CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nnc(CO)n1C1CC1)[*:1]
COc1ccccc1Nc1nc(N)nc(COc2ccccc2Cl)n1 COc1ccccc1[*:1] Nc1nc(COc2ccccc2Cl)nc(n1)N[*:1]
COc1ccccc1Nc1nc(N)nc(COc2ccccc2Cl)n1 Clc1ccccc1O[*:1] COc1ccccc1Nc1nc(N)nc(C[*:1])n1
COc1ccccc1Nc1nc(N)nc(COc2ccccc2Cl)n1 Clc1ccccc1[*:1] COc1ccccc1Nc1nc(N)nc(CO[*:1])n1
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cnc2ccccc2c1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](NC(=O)[*:1])C(=O)Nc1cnc2ccccc2c1
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cnc2ccccc2c1 CC[C@@H](C)[*:1] O=C(N[C@@H](C(=O)Nc1cnc2ccccc2c1)[*:1])c1ccccc1
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cnc2ccccc2c1 O=C(N[*:1])c1ccccc1 CC[C@@H](C)[C@@H](C(=O)Nc1cnc2ccccc2c1)[*:1]
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOCc1cnc(Cl)s1 CC(C)(C)[*:1] O=C(O[*:1])N1CCCC[C@@H]1CCOCc1cnc(Cl)s1
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOCc1cnc(Cl)s1 Clc1ncc(C[*:1])s1 CC(C)(C)OC(=O)N1CCCC[C@@H]1CCO[*:1]
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOCc1cnc(Cl)s1 Clc1ncc(s1)[*:1] CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOC[*:1]
CS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 Fc1cccc(c1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
CC(C)(O)c1nc2ccccc2n1CC(=O)N1CCOCC1 CC(C)(O)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCOCC1
CC1=C(c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)C[C@@H](C)N1c1nc[nH]n1 O=C(N[*:1])C1CC1 CC1=C(C[C@@H](C)N1c1nc[nH]n1)c1csc(n1)-c1cccc(c1)[*:1]
CC1=C(c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)C[C@@H](C)N1c1nc[nH]n1 C1CC1[*:1] CC1=C(C[C@@H](C)N1c1nc[nH]n1)c1csc(n1)-c1cccc(c1)NC(=O)[*:1]
O=C(c1ncccc1C(F)(F)F)N(CCc1ccccc1)[C@H]1CCOC1 FC(F)(F)[*:1] O=C(c1ncccc1[*:1])N(CCc1ccccc1)[C@H]1CCOC1
O=C(c1ncccc1C(F)(F)F)N(CCc1ccccc1)[C@H]1CCOC1 c1ccc(cc1)[*:1] O=C(c1ncccc1C(F)(F)F)N(CC[*:1])[C@H]1CCOC1
O=C(c1ncccc1C(F)(F)F)N(CCc1ccccc1)[C@H]1CCOC1 c1ccc(cc1)CC[*:1] O=C(c1ncccc1C(F)(F)F)N([C@H]1CCOC1)[*:1]
O=C(c1ncccc1C(F)(F)F)N(CCc1ccccc1)[C@H]1CCOC1 c1ccc(cc1)C[*:1] O=C(c1ncccc1C(F)(F)F)N(C[*:1])[C@H]1CCOC1
C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(F)cn1 c1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H](CO)C[*:1])c1ccc(F)cn1
OC1(c2cccnc2)CC[NH+](Cc2ccnc(N3CCCC3)n2)CC1 c1cncc(c1)[*:1] OC1(CC[NH+](CC1)Cc1ccnc(n1)N1CCCC1)[*:1]
OC1(c2cccnc2)CC[NH+](Cc2ccnc(N3CCCC3)n2)CC1 C1CCN(C1)[*:1] OC1(CC[NH+](CC1)Cc1ccnc(n1)[*:1])c1cccnc1
CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C1 Fc1cccc(c1)[*:1] CC(C)(C)C(=O)NC[C@H]1CCCN(C1)C(=O)Cc1csc(n1)[*:1]
CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C1 CC(C)(C)C(=O)N[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)N1CCC[C@@H](C1)C[*:1]
CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C1 CC(C)(C)C(=O)NC[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)N1CCC[C@@H](C1)[*:1]
CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C1 CC(C)(C)[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)N1CCC[C@H](CNC(=O)[*:1])C1
CC(=O)c1cccc(NC(=O)CC(C)(C)C)c1 CC(C)(C)C[*:1] CC(=O)c1cccc(c1)NC(=O)[*:1]
CC(=O)c1cccc(NC(=O)CC(C)(C)C)c1 CC(C)(C)[*:1] CC(=O)c1cccc(c1)NC(=O)C[*:1]
CC(=O)c1cccc(NC(=O)CC(C)(C)C)c1 CC(=O)[*:1] CC(C)(C)CC(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1SCC(=O)N(CCC#N)Cc1cccnc1 Cc1ccccc1[*:1] N#CCCN(Cc1cccnc1)C(=O)CS[*:1]
Cc1ccccc1SCC(=O)N(CCC#N)Cc1cccnc1 N#CCC[*:1] Cc1ccccc1SCC(=O)N(Cc1cccnc1)[*:1]
Cc1ccccc1SCC(=O)N(CCC#N)Cc1cccnc1 c1cncc(c1)[*:1] Cc1ccccc1SCC(=O)N(CCC#N)C[*:1]
Cc1ccccc1SCC(=O)N(CCC#N)Cc1cccnc1 c1cncc(c1)C[*:1] Cc1ccccc1SCC(=O)N(CCC#N)[*:1]
Cc1ccccc1SCC(=O)N(CCC#N)Cc1cccnc1 N#CC[*:1] Cc1ccccc1SCC(=O)N(Cc1cccnc1)C[*:1]
C[C@@H]1O[C@H](C)[C@H]([C@H](Cl)[C@@H](C)c2ccccn2)[C@@H]1C c1ccc(nc1)[*:1] C[C@@H]1O[C@H](C)[C@@H]([C@@H]1C)[C@H](Cl)[C@@H](C)[*:1]
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cn2ccccc2[nH+]1 CC(C)(C)OC(=O)N[*:1] C[C@H](C(=O)NCCc1cn2ccccc2[nH+]1)[*:1]
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cn2ccccc2[nH+]1 CC(C)(C)[*:1] C[C@H](NC(=O)O[*:1])C(=O)NCCc1cn2ccccc2[nH+]1
C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(Br)c2c(c1)OCO2 c1cn(cn1)[*:1] C[C@@H](C[*:1])[NH2+]Cc1cc(Br)c2OCOc2c1
C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(Br)c2c(c1)OCO2 c1cn(cn1)C[*:1] C[C@@H]([NH2+]Cc1cc(Br)c2OCOc2c1)[*:1]
CCOc1ccccc1C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 CCO[*:1] O=C(Nc1cc2CCC(=O)N3CCc(c1)c23)c1ccccc1[*:1]
COC(=O)C1CCN(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 COC(=O)[*:1] C[C@@H](NC(=O)N1CCC(CC1)[*:1])c1ccc2CCCCc2c1
O=C(C/C=C/c1ccc(F)cc1)N1CCOc2ccccc2C1 Fc1ccc(cc1)[*:1] O=C(CC=C[*:1])N1CCOc2ccccc2C1
CC[NH2+][C@H](c1ccc(Cl)cn1)c1cc(OC)ccc1OC Clc1ccc(nc1)[*:1] CC[NH2+][C@H](c1cc(ccc1OC)OC)[*:1]
Cc1nn(-c2ccccc2)c(C)c1[C@H](C)NC[C@](C)(O)c1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1[C@H](C)NC[C@](C)(O)c1ccc(F)cc1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1[C@H](C)NC[C@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1[C@H](C)NC[C@](C)(O)[*:1]
CCN(C(=O)CCCOc1cccnc1)C1CCCCC1 c1cncc(c1)[*:1] CCN(C(=O)CCCO[*:1])C1CCCCC1
CCN(C(=O)CCCOc1cccnc1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)CCCOc1cccnc1)[*:1]
CCN(C(=O)CCCOc1cccnc1)C1CCCCC1 c1cncc(c1)O[*:1] CCN(C(=O)CCC[*:1])C1CCCCC1
Cc1nn(CC(=O)NC2CCN(c3nc(C)c(C)c(=O)[nH]3)CC2)c(C)c1C Cc1nn(c(C)c1C)[*:1] Cc1nc([nH]c(=O)c1C)N1CCC(CC1)NC(=O)C[*:1]
Cc1nn(CC(=O)NC2CCN(c3nc(C)c(C)c(=O)[nH]3)CC2)c(C)c1C Cc1nc([nH]c(=O)c1C)[*:1] Cc1nn(CC(=O)NC2CCN(CC2)[*:1])c(C)c1C
Cc1nn(CC(=O)NC2CCN(c3nc(C)c(C)c(=O)[nH]3)CC2)c(C)c1C Cc1nn(C[*:1])c(C)c1C Cc1nc([nH]c(=O)c1C)N1CCC(CC1)NC(=O)[*:1]
O=C(NCC(C1CC1)C1CC1)NC[C@H](O)C1CCCC1 C1CCC(C1)[*:1] O=C(NCC(C1CC1)C1CC1)NC[C@H](O)[*:1]
O=C(NCC(C1CC1)C1CC1)NC[C@H](O)C1CCCC1 C1CC1[*:1] O=C(NCC(C1CC1)[*:1])NC[C@H](O)C1CCCC1
O=C(Cc1ccc(Br)cc1)NCCc1nc2ccccc2[nH]1 Brc1ccc(cc1)[*:1] O=C(C[*:1])NCCc1nc2ccccc2[nH]1
COCc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 COC[*:1] Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(cc1)[*:1]
COCc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 Cc1c(Cl)cccc1[*:1] COCc1ccc(cc1)CNC(=O)C(=O)N[*:1]
C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(C[C@H](O)c2cccc(C(F)(F)F)c2)C1=O FC(F)(F)[*:1] C[C@]1(NC(=O)N(C[C@H](O)c2cccc(c2)[*:1])C1=O)c1ccc(Cl)cc1Cl
C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(C[C@H](O)c2cccc(C(F)(F)F)c2)C1=O Clc1ccc(c(Cl)c1)[*:1] C[C@]1(NC(=O)N(C[C@H](O)c2cccc(c2)C(F)(F)F)C1=O)[*:1]
CCN(C(=O)[C@H](C)N(C)CC[NH+]1CCCC1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)[C@H](C)N(C)CC[NH+]1CCCC1)[*:1]
O=C(NCc1ccc(F)c(Cl)c1)c1n[nH]c(C2CC2)n1 C1CC1[*:1] O=C(NCc1ccc(F)c(Cl)c1)c1n[nH]c(n1)[*:1]
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)Nc1ccccc1F C1CN(CCO1)[*:1] O=C(NC[C@H](c1ccc2OCOc2c1)[*:1])C(=O)Nc1ccccc1F
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(NC[C@H](c1ccc2OCOc2c1)N1CCOCC1)C(=O)N[*:1]
O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)Nc1ccccc1F c1cc2OCOc2cc1[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])C(=O)Nc1ccccc1F
C[C@@H](C(=O)Oc1ccccc1F)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)Oc1ccccc1F)n1nnc(n1)[*:1]
C[C@@H](C(=O)Oc1ccccc1F)n1nnc(-c2ccccc2)n1 Fc1ccccc1[*:1] C[C@@H](C(=O)O[*:1])n1nnc(n1)-c1ccccc1
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1sc(-c2ccccc2)nc1C c1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1sc(nc1C)[*:1]
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1sc(-c2ccccc2)nc1C CCN(CC)S(=O)(=O)[*:1] Cc1nc(sc1C(=O)N1CCc2cc(ccc21)[*:1])-c1ccccc1
O=C(c1cn(Cc2ccccc2)nn1)N1CCC(OC[C@H]2CCCO2)CC1 c1ccc(cc1)C[*:1] O=C(c1cn(nn1)[*:1])N1CCC(CC1)OC[C@H]1CCCO1
O=C(c1cn(Cc2ccccc2)nn1)N1CCC(OC[C@H]2CCCO2)CC1 c1ccc(cc1)[*:1] O=C(c1cn(C[*:1])nn1)N1CCC(CC1)OC[C@H]1CCCO1
O=C(/C=C/c1ccc(Cl)nc1)Oc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] O=C(/C=C/c1ccc(Cl)nc1)Oc1cccc(c1)[*:1]
O=C(/C=C/c1ccc(Cl)nc1)Oc1cccc(-n2cccn2)c1 Clc1ccc(cn1)[*:1] O=C(C=C[*:1])Oc1cccc(c1)-n1cccn1
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C2CC2)cc1 C[C@H](NC(=O)[*:1])C1CC1 COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C2CC2)cc1 C1CC1[*:1] COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)[*:1]
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C2CC2)cc1 COc1ccccc1[*:1] C[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)N(C)[*:1])C1CC1
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(Br)c2cccnc12 c1ccc(cc1)[*:1] O=C(Cn1cnc2c(cnn2[*:1])c1=O)Nc1ccc(Br)c2cccnc12
CCc1ccc(N2C[C@@H](C(=O)NC(CC)CC)CC2=O)cc1 CCC(CC)[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
C[C@@H](C(=O)N[C@H](C)C1CCCCC1)c1cccs1 C1CCC(CC1)[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])c1cccs1
C[C@@H](C(=O)N[C@H](C)C1CCCCC1)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)N[C@H](C)C1CCCCC1)[*:1]
CC(C)CC1=NN(C(=O)CC#N)[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CC(C)CC1C[C@](O)(N(N=1)C(=O)CC#N)[*:1]
CC(C)CC1=NN(C(=O)CC#N)[C@@](O)(C(F)(F)F)C1 N#CC[*:1] CC(C)CC1C[C@@](O)(N(N=1)C(=O)[*:1])C(F)(F)F
CC(C)CC1=NN(C(=O)CC#N)[C@@](O)(C(F)(F)F)C1 CC(C)C[*:1] N#CCC(=O)N1N=C(C[C@]1(O)C(F)(F)F)[*:1]
CC(C)CC1=NN(C(=O)CC#N)[C@@](O)(C(F)(F)F)C1 CC(C)[*:1] N#CCC(=O)N1N=C(C[C@]1(O)C(F)(F)F)C[*:1]
[NH3+][C@@H](CC[C@H]1CCCO1)[C@@H]1C[NH+]2CCN1CC2 C1CO[C@H](C1)[*:1] [NH3+][C@@H](CC[*:1])[C@@H]1C[NH+]2CCN1CC2
Cc1cccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 NC(=O)CC[*:1] Cc1cccc(c1)S(=O)(=O)N[C@@H](C(=O)[O-])[*:1]
Cc1cccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 NC(=O)C[*:1] Cc1cccc(c1)S(=O)(=O)N[C@@H](C[*:1])C(=O)[O-]
Cc1cccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 O=C([O-])[*:1] Cc1cccc(c1)S(=O)(=O)N[C@@H](CCC(N)=O)[*:1]
Cc1cccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 NC(=O)[*:1] Cc1cccc(c1)S(=O)(=O)N[C@@H](CC[*:1])C(=O)[O-]
COc1ccc(NC(=S)N[C@H](NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H](NC(=S)N[*:1])C(Cl)(Cl)Cl)N1CCOCC1
COc1ccc(NC(=S)N[C@H](NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)cc1 ClC(Cl)(Cl)[*:1] COc1ccc(cc1)NC(=S)N[C@H](NC(=O)N1CCOCC1)[*:1]
CN(C)[C@H](CNC(=O)c1c(F)cccc1Cl)c1cccs1 c1csc(c1)[*:1] CN(C)[C@H](CNC(=O)c1c(F)cccc1Cl)[*:1]
CN(C)[C@H](CNC(=O)c1c(F)cccc1Cl)c1cccs1 CN(C)[*:1] O=C(NC[C@H](c1cccs1)[*:1])c1c(F)cccc1Cl
CCCCN(C)S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 CCC[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])S(=O)(=O)N(C)C[*:1]
CCCCN(C)S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 CCCC[*:1] C[C@@H]1CN(CC[C@@H]1[NH3+])S(=O)(=O)N(C)[*:1]
COC(=O)[C@]1([NH3+])CCC[C@@H](Sc2nnc(C)s2)C1 COC(=O)[*:1] Cc1nnc(S[C@@H]2CCC[C@@]([NH3+])(C2)[*:1])s1
COC(=O)[C@]1([NH3+])CCC[C@@H](Sc2nnc(C)s2)C1 Cc1nnc(s1)[*:1] COC(=O)[C@]1([NH3+])CCC[C@H](C1)S[*:1]
O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 C1CC(C1)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)[*:1])[C@@H]1CCCN(C1)C(=O)Nc1ccccc1
O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 Clc1ccc(cc1)[*:1] O=C(N[C@@H](C1CCC1)[*:1])[C@@H]1CCCN(C1)C(=O)Nc1ccccc1
O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)[C@@H]1CCCN(C1)C(=O)N[*:1]
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(C)Cc1ccccc1)C2=O c1ccc(cc1)C[*:1] C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(C)[*:1])C2=O
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(C)Cc1ccccc1)C2=O c1ccc(cc1)[*:1] C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(C)C[*:1])C2=O
Cc1cc(NC(=O)c2sc3ccccc3c2C)ccc1C(N)=O NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1sc2ccccc2c1C
FC(F)(F)c1cccc(NC(=S)NC2CCCC2)c1 C1CCC(C1)[*:1] FC(F)(F)c1cccc(c1)NC(=S)N[*:1]
FC(F)(F)c1cccc(NC(=S)NC2CCCC2)c1 FC(F)(F)[*:1] S=C(Nc1cccc(c1)[*:1])NC1CCCC1
Cn1nc(NC(=O)C(c2ccccc2)c2ccccc2)c2c1NC(=O)C[C@H]2c1ccccc1 c1ccc(cc1)[*:1] Cn1nc(NC(=O)C(c2ccccc2)[*:1])c2c1NC(=O)C[C@H]2c1ccccc1
Cn1nc(NC(=O)C(c2ccccc2)c2ccccc2)c2c1NC(=O)C[C@H]2c1ccccc1 c1ccc(cc1)[*:1] Cn1nc(NC(=O)C(c2ccccc2)c2ccccc2)c2c1NC(=O)C[C@@H]2[*:1]
Cn1c(=O)n(C)c2cc(C(=O)[C@H](Br)CC(=O)[O-])ccc21 O=C([O-])[*:1] Cn1c(=O)n(C)c2cc(ccc21)C(=O)[C@H](Br)C[*:1]
Cn1c(=O)n(C)c2cc(C(=O)[C@H](Br)CC(=O)[O-])ccc21 O=C([O-])C[*:1] Cn1c(=O)n(C)c2cc(ccc21)C(=O)[C@H](Br)[*:1]
COC1=C[C@@H]2C(=N[C@@H](C)[C@H]2c2csc(NC(=O)c3cccc(OC)c3)n2)C=C1 COc1cccc(c1)[*:1] COC1C=CC2=N[C@@H](C)[C@@H](c3csc(n3)NC(=O)[*:1])[C@@H]2C=1
Cc1ccc(S(=O)(=O)NNC(=O)C(C)C)cc1C CC(C)[*:1] Cc1ccc(cc1C)S(=O)(=O)NNC(=O)[*:1]
O=C(c1cnn(Cc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cnn(c1)Cc1ccccc1)N1CCN(CC1)C[*:1]
O=C(c1cnn(Cc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cnn(c1)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(c1cnn(Cc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cnn(c1)C[*:1])N1CCN(CC1)Cc1ccccc1
O=C(c1cnn(Cc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cnn(c1)Cc1ccccc1)N1CCN(CC1)[*:1]
Cc1ccc(/C=C/C(=O)N(C)Cc2sccc2C)o1 Cc1ccc(o1)[*:1] Cc1ccsc1CN(C)C(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)N(C)Cc2sccc2C)o1 Cc1ccsc1[*:1] Cc1ccc(/C=C/C(=O)N(C)C[*:1])o1
C[C@H](C(=O)c1ccc(C(C)(C)C)cc1)c1ccccn1 CC(C)(C)[*:1] C[C@H](C(=O)c1ccc(cc1)[*:1])c1ccccn1
C[C@H](C(=O)c1ccc(C(C)(C)C)cc1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](C(=O)c1ccc(cc1)C(C)(C)C)[*:1]
CC(C)N(C(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)C(C)C CC(C)[*:1] CC(C)N(C(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)[*:1]
O=S(=O)(c1ccc(Cl)s1)N1CCCCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=S(=O)(c1ccc(Cl)s1)N1CCCCC[C@@H]1[*:1]
O=S(=O)(c1ccc(Cl)s1)N1CCCCC[C@H]1c1cccs1 Clc1ccc(s1)[*:1] O=S(=O)(N1CCCCC[C@H]1c1cccs1)[*:1]
C#CCN1CCN(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)CC1 C#CC[*:1] O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CCN(CC1)[*:1]
O=C(CCn1cnnn1)N1CCCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCn1cnnn1)N1CCCN(CC1)[*:1]
O=C(CCn1cnnn1)N1CCCN(c2ccccc2)CC1 c1nnnn1CC[*:1] O=C(N1CCCN(CC1)c1ccccc1)[*:1]
O=C(CCn1cnnn1)N1CCCN(c2ccccc2)CC1 c1nnnn1[*:1] O=C(CC[*:1])N1CCCN(CC1)c1ccccc1
O=C(CCn1cnnn1)N1CCCN(c2ccccc2)CC1 c1nnnn1C[*:1] O=C(C[*:1])N1CCCN(CC1)c1ccccc1
N#Cc1ccc(NCC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CN[*:1])Nc1cccc(c1)CC[NH+]1CCCC1
O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)c1cc(nc2ccccc12)[*:1])N1CCOCC1
O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(c1cc(nc2ccccc12)-c1ccccc1)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=C(c1cc(nc2ccccc12)-c1ccccc1)N1CCN(CC1)[*:1]
CCOCc1ccc(NC(=O)NNc2nc(-c3ccncc3)no2)cc1 CCO[*:1] O=C(NNc1nc(no1)-c1ccncc1)Nc1ccc(cc1)C[*:1]
CCOCc1ccc(NC(=O)NNc2nc(-c3ccncc3)no2)cc1 c1cc(ccn1)[*:1] CCOCc1ccc(cc1)NC(=O)NNc1nc(no1)[*:1]
CCOCc1ccc(NC(=O)NNc2nc(-c3ccncc3)no2)cc1 CCOC[*:1] O=C(NNc1nc(no1)-c1ccncc1)Nc1ccc(cc1)[*:1]
N/C(=N/O)[C@H]1CN(Cc2ccsc2)CCO1 c1cc(cs1)[*:1] N/C(=N/O)[C@H]1CN(CCO1)C[*:1]
N/C(=N/O)[C@H]1CN(Cc2ccsc2)CCO1 N/C(=N/O)[*:1] c1cc(cs1)CN1CCO[C@H](C1)[*:1]
Cc1cnn([C@H](C)[C@H](C)NCc2[nH+]ccn2C)c1 Cc1cnn(c1)[*:1] C[C@H](NCc1[nH+]ccn1C)[C@@H](C)[*:1]
COc1ccc(/C=C/C(=O)Nc2[nH]nc(C3CC3)c2C)cc1OC C1CC1[*:1] COc1ccc(/C=C/C(=O)Nc2[nH]nc(c2C)[*:1])cc1OC
CC[C@H]1CN(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CCS1 Cn1cnn(c1=O)[*:1] CC[C@H]1CN(CCS1)C(=O)Nc1ccc(cc1)[*:1]
CC[NH2+][C@H](C=C(C)C)c1cccc(OC)c1 CC(C)=C[*:1] CC[NH2+][C@H](c1cccc(c1)OC)[*:1]
Cc1nc2sc3c(c2c(=O)n1/N=C/c1cccc(I)c1)CCCC3 Ic1cccc(c1)[*:1] Cc1nc2sc3CCCCc3c2c(=O)n1N=C[*:1]
COc1ccc(NC(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)NC(=O)N1CCC(CC1)C(=O)NC[*:1]
COc1ccc(NC(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc1OC O=C(NCC(F)(F)F)[*:1] COc1ccc(cc1OC)NC(=O)N1CCC(CC1)[*:1]
COc1ccc(NC(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc1OC FC(F)(F)C[*:1] COc1ccc(cc1OC)NC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1nc2c(ccc3nc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)sc32)s1 CN(C)S(=O)(=O)[*:1] Cc1nc2c(ccc3nc(NC(=O)c4ccc(cc4)[*:1])sc32)s1
Cc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4nsnc34)CC2)cc1F Cc1ccc(cc1F)[*:1] O=C(N[*:1])C1CCC(CC1)CNS(=O)(=O)c1cccc2nsnc12
Cc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4nsnc34)CC2)cc1F c1cc(c2nsnc2c1)[*:1] Cc1ccc(cc1F)NC(=O)C1CCC(CC1)CNS(=O)(=O)[*:1]
CC(C)c1nc([C@@H](C)NC(=O)C[C@H]2C=CCC2)cs1 CC(C)[*:1] C[C@@H](NC(=O)C[C@H]1C=CCC1)c1csc(n1)[*:1]
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N(C)C CCO[*:1] CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N(C)C CN(C)C(=O)[*:1] CCOc1ccccc1C(=O)N1CCC[C@H]1[*:1]
CCCOc1ccc(NC(=O)[C@H](C)SC)cc1Cl CCCO[*:1] CS[C@@H](C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCOc1ccc(NC(=O)[C@H](C)SC)cc1Cl CCC[*:1] CS[C@@H](C)C(=O)Nc1ccc(O[*:1])c(Cl)c1
CCCOc1ccc(NC(=O)[C@H](C)SC)cc1Cl CS[C@@H](C)[*:1] CCCOc1ccc(cc1Cl)NC(=O)[*:1]
Cc1nn(C)c(=O)c(C(=O)Nc2cnn(C(C)(C)C)c2)c1C CC(C)(C)[*:1] Cc1nn(C)c(=O)c(C(=O)Nc2cnn(c2)[*:1])c1C
O=C1C[C@H](N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)N1c1cccc(Cl)c1)N1CCN(CC1)[C@@H](c1ccc(Cl)cc1)[*:1]
O=C1C[C@H](N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1C[C@@H](C(=O)N1[*:1])N1CCN(CC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1
O=C1C[C@H](N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1cccc(Cl)c1 Clc1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)N1c1cccc(Cl)c1)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
CCOc1ccccc1/C=N/n1nnnc1N CCO[*:1] Nc1nnnn1/N=C/c1ccccc1[*:1]
CCCCS[C@H](C)/C([O-])=N/S(=O)(=O)c1sc(C)nc1C CCC[*:1] Cc1nc(C)c(s1)S(=O)(=O)/N=C(\[O-])[C@@H](C)SC[*:1]
CCCCS[C@H](C)/C([O-])=N/S(=O)(=O)c1sc(C)nc1C CCCC[*:1] Cc1nc(C)c(s1)S(=O)(=O)/N=C(\[O-])[C@@H](C)S[*:1]
CCCCS[C@H](C)/C([O-])=N/S(=O)(=O)c1sc(C)nc1C CCCCS[*:1] Cc1nc(C)c(s1)S(=O)(=O)/N=C(\[O-])[C@@H](C)[*:1]
COc1cc(OC)cc(C(=O)NC2(c3noc(C)n3)CCCCC2)c1 Cc1nc(no1)[*:1] COc1cc(cc(c1)C(=O)NC1(CCCCC1)[*:1])OC
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccccc2)cc1 O=C(c1cccs1)[*:1] COc1ccc(cc1)[C@@H]1C(=C(O)C(=O)N1CCc1ccccc1)[*:1]
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccccc2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C(O)C(=O)N1CCc1ccccc1
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1C[*:1]
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1[*:1])c1cccs1
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1CC[*:1]
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1[*:1]
COc1cccc(CNC(=O)CCn2ccnc2)c1 c1cn(cn1)[*:1] COc1cccc(c1)CNC(=O)CC[*:1]
COc1cccc(CNC(=O)CCn2ccnc2)c1 c1cn(cn1)C[*:1] COc1cccc(c1)CNC(=O)C[*:1]
O=C(NCCN1C(=O)CCC1=O)NC[C@@H]1CCN(c2ccccc2)C1 O=C1CCC(=O)N1C[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)NC[*:1]
O=C(NCCN1C(=O)CCC1=O)NC[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCN1C(=O)CCC1=O)NC[C@@H]1CCN(C1)[*:1]
O=C(NCCN1C(=O)CCC1=O)NC[C@@H]1CCN(c2ccccc2)C1 O=C1CCC(=O)N1[*:1] O=C(NCC[*:1])NC[C@@H]1CCN(C1)c1ccccc1
C[C@H](OC(=O)[C@@H]1CC=CCC1)c1ccccc1N(C)C CN(C)[*:1] C[C@H](OC(=O)[C@@H]1CC=CCC1)c1ccccc1[*:1]
Cc1cncc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1 CC(C)(C)[*:1] Cc1cncc(c1)NC(=O)[C@@H](CNC(=O)O[*:1])c1ccccc1
Cc1cncc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1 Cc1cncc(c1)[*:1] CC(C)(C)OC(=O)NC[C@H](C(=O)N[*:1])c1ccccc1
Cc1cncc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)[*:1]
Cc1cncc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)c1 CC(C)(C)OC(=O)N[*:1] Cc1cncc(c1)NC(=O)[C@@H](C[*:1])c1ccccc1
CCN(Cc1ccccc1)C(=O)CSc1nc2ncccc2[nH]1 c1ccc(cc1)C[*:1] CCN(C(=O)CSc1nc2ncccc2[nH]1)[*:1]
CCN(Cc1ccccc1)C(=O)CSc1nc2ncccc2[nH]1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CSc1nc2ncccc2[nH]1
COc1cccc(/C=C/Br)c1 BrC=C[*:1] COc1cccc(c1)[*:1]
[NH2+]=C1NC[C@H](c2cccc(Cl)c2Cl)N1c1ccccc1Cl Clc1ccccc1[*:1] [NH2+]=C1NC[C@H](c2cccc(Cl)c2Cl)N1[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)N[C@H](C)CCC(C)C CC(C)CC[C@@H](C)[*:1] COc1cc(C)c(N)cc1S(=O)(=O)N[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)N[C@H](C)CCC(C)C CC(C)[*:1] COc1cc(C)c(N)cc1S(=O)(=O)N[C@H](C)CC[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)N[C@H](C)CCC(C)C CC(C)CC[*:1] COc1cc(C)c(N)cc1S(=O)(=O)N[C@H](C)[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)N[C@H](C)CCC(C)C CC(C)C[*:1] COc1cc(C)c(N)cc1S(=O)(=O)N[C@H](C)C[*:1]
COc1ccccc1Nc1nc(C)c(C(=O)[O-])s1 O=C([O-])[*:1] COc1ccccc1Nc1nc(C)c(s1)[*:1]
O=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(C1CCCC1)N1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
O=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 C1CCC(C1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F)[*:1]
NC(=O)c1ccc(NCC(=O)Nc2ccc(F)cc2Cl)cc1 NC(=O)[*:1] O=C(CNc1ccc(cc1)[*:1])Nc1ccc(F)cc1Cl
N#Cc1ccc(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 N#Cc1ccc(cc1)C[*:1] O=C(c1ccccc1C(F)(F)F)N1CCN(CC1)[*:1]
N#Cc1ccc(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)c1ccccc1[*:1]
N#Cc1ccc(CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(c1ccccc1C(F)(F)F)N1CCN(CC1)C[*:1]
Cc1ccc(NC(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2Cl)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1cc(ccc1Cl)S(=O)(=O)[*:1]
Cc1ccc(NC(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1cc(ccc1Cl)S(=O)(=O)c1ccccc1
O=C(CCc1cccc(F)c1)OCc1ccc(-n2ccnc2)nc1 Fc1cccc(c1)[*:1] O=C(CC[*:1])OCc1ccc(nc1)-n1ccnc1
O=C(CCc1cccc(F)c1)OCc1ccc(-n2ccnc2)nc1 Fc1cccc(c1)C[*:1] O=C(C[*:1])OCc1ccc(nc1)-n1ccnc1
O=C(CCc1cccc(F)c1)OCc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] O=C(CCc1cccc(F)c1)OCc1ccc(nc1)[*:1]
CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 CNC(=O)NC(=O)[*:1] C[C@@H](N1CCN(CC1)C(=O)c1ccc(F)c(F)c1)[*:1]
CNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] CNC(=O)NC(=O)[C@@H](C)N1CCN(CC1)C(=O)[*:1]
CCOc1cc2c(cc1NC(=O)N1CCOC[C@@H]1C1CC1)O[C@H](C)C2 C1CC1[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)N1CCOC[C@H]1[*:1]
CCOc1cc2c(cc1NC(=O)N1CCOC[C@@H]1C1CC1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)NC(=O)N1CCOC[C@@H]1C1CC1)[*:1]
Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2SCC#N)n1 N#CCS[*:1] Cc1cc(C)c(C#N)c(n1)SCC(=O)Nc1ccccc1[*:1]
Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2SCC#N)n1 N#CC[*:1] Cc1cc(C)c(C#N)c(n1)SCC(=O)Nc1ccccc1S[*:1]
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)c1C Cc1cccc(O[*:1])c1C C[C@@H](C(=O)NNC(=O)c1ccc(Br)c(c1)S(N)(=O)=O)[*:1]
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)c1C Cc1cccc(c1C)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1ccc(Br)c(c1)S(N)(=O)=O
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)c1C NS(=O)(=O)[*:1] Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(Br)c(c2)[*:1])c1C
CN(C)C[C@@H]([NH3+])c1occc1Br CN(C)C[*:1] [NH3+][C@@H](c1occc1Br)[*:1]
CN(C)C[C@@H]([NH3+])c1occc1Br CN(C)[*:1] [NH3+][C@H](C[*:1])c1occc1Br
Cc1c(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cnn1C Fc1ccc(cc1)C[*:1] Cc1c(cnn1C)C(=O)Nc1cccn(c1=O)[*:1]
Cc1c(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cnn1C Cc1c(cnn1C)[*:1] O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)[*:1]
Cc1c(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cnn1C Fc1ccc(cc1)[*:1] Cc1c(cnn1C)C(=O)Nc1cccn(C[*:1])c1=O
CC(C)CCC[C@H](C)NC(=O)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] CC(C)CCC[C@H](C)NC(=O)NC1CCN(CC1)C(=O)[*:1]
CC(C)CCC[C@H](C)NC(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC(C)[*:1] C[C@@H](CCC[*:1])NC(=O)NC1CCN(CC1)C(=O)c1ccoc1
CC(C)CCC[C@H](C)NC(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC(C)CCC[C@H](C)[*:1] O=C(NC1CCN(CC1)C(=O)c1ccoc1)N[*:1]
CC(C)CCC[C@H](C)NC(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC(C)CCC[*:1] C[C@H](NC(=O)NC1CCN(CC1)C(=O)c1ccoc1)[*:1]
CC(C)CCC[C@H](C)NC(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC(C)CC[*:1] C[C@@H](C[*:1])NC(=O)NC1CCN(CC1)C(=O)c1ccoc1
CC(C)CCC[C@H](C)NC(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC(C)C[*:1] C[C@@H](CC[*:1])NC(=O)NC1CCN(CC1)C(=O)c1ccoc1
O=C(Nc1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2)C1CC1 C1CC1[*:1] O=C([C@@H]1CCCO1)N1CCc2ccc(cc21)NC(=O)[*:1]
O=C(Nc1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2)C1CC1 O=C(N[*:1])C1CC1 O=C([C@@H]1CCCO1)N1CCc2ccc(cc21)[*:1]
CN(C)c1ccc(CN2CCC[C@@H](c3nnc(C[NH+](C)C)n3C)C2)c[nH+]1 CN(C)[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(Cc2ccc([nH+]c2)[*:1])C1
COc1cccc(CN2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 COc1cccc(c1)[*:1] O=C(C1CCC1)N1CCN(C[*:1])[C@H]2CS(=O)(=O)C[C@H]21
COc1cccc(CN2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 C1CC(C1)[*:1] COc1cccc(c1)CN1CCN(C(=O)[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
COC(=O)CN(C(=O)[C@]1(C)CCCO1)C(C)C CC(C)[*:1] COC(=O)CN(C(=O)[C@]1(C)CCCO1)[*:1]
COC(=O)CN(C(=O)[C@]1(C)CCCO1)C(C)C COC(=O)[*:1] CC(C)N(C[*:1])C(=O)[C@]1(C)CCCO1
COC(=O)CN(C(=O)[C@]1(C)CCCO1)C(C)C COC(=O)C[*:1] CC(C)N(C(=O)[C@]1(C)CCCO1)[*:1]
Cc1cc(C)cc([C@@H](C)Nc2ncc(S(N)(=O)=O)s2)c1 NS(=O)(=O)[*:1] Cc1cc(C)cc(c1)[C@@H](C)Nc1ncc(s1)[*:1]
Cc1c(F)cccc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 Cc1c(F)cccc1[*:1] C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[*:1])c1ccccc1
Cc1c(F)cccc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)[*:1]
O=C(C1CCCCC1)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O c1ccc(cc1)OC[*:1] O=C(C1CCCCC1)N1CCC2(CC1)NC(=O)N(C[*:1])C2=O
O=C(C1CCCCC1)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O c1ccc(cc1)OCC[*:1] O=C(C1CCCCC1)N1CCC2(CC1)NC(=O)N(C2=O)[*:1]
O=C(C1CCCCC1)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O c1ccc(cc1)O[*:1] O=C(C1CCCCC1)N1CCC2(CC1)NC(=O)N(CC[*:1])C2=O
O=C(C1CCCCC1)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O C1CCC(CC1)[*:1] O=C1NC2(CCN(CC2)C(=O)[*:1])C(=O)N1CCOc1ccccc1
O=C(C1CCCCC1)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O c1ccc(cc1)[*:1] O=C(C1CCCCC1)N1CCC2(CC1)NC(=O)N(CCO[*:1])C2=O
COc1cccc([C@H]2CCCN2C(=O)c2cn(Cc3ccc(F)cc3)nn2)c1 Fc1ccc(cc1)C[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)c1cn(nn1)[*:1]
COc1cccc([C@H]2CCCN2C(=O)c2cn(Cc3ccc(F)cc3)nn2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1CCCN1C(=O)c1cn(C[*:1])nn1
COc1cccc([C@H]2CCCN2C(=O)c2cn(Cc3ccc(F)cc3)nn2)c1 COc1cccc(c1)[*:1] O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCC[C@@H]1[*:1]
CC[C@@H](C)[C@@H](C(=O)OCc1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O CC[C@@H](C)[*:1] N#Cc1cccc(c1)COC(=O)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC[C@@H](C)[C@@H](C(=O)OCc1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O N#Cc1cccc(c1)C[*:1] CC[C@@H](C)[C@@H](C(=O)O[*:1])N1C(=O)c2ccccc2C1=O
CC[C@@H](C)[C@@H](C(=O)OCc1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O N#Cc1cccc(c1)[*:1] CC[C@@H](C)[C@@H](C(=O)OC[*:1])N1C(=O)c2ccccc2C1=O
CCSCCC(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CCSCCC(=O)N1CCN(CC1)C(=O)N[*:1]
CCSCCC(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 CCSC[*:1] Cc1cccc(c1)NC(=O)N1CCN(CC1)C(=O)C[*:1]
CCSCCC(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 CCSCC[*:1] Cc1cccc(c1)NC(=O)N1CCN(CC1)C(=O)[*:1]
CCSCCC(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 CCS[*:1] Cc1cccc(c1)NC(=O)N1CCN(CC1)C(=O)CC[*:1]
O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@H]1c2ccccc2C[C@H]1O Fc1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])N[C@H]1c2ccccc2C[C@H]1O
C[C@H](NC(=O)COc1cccnc1Cl)c1ccc2c(c1)CCCC2 Clc1ncccc1[*:1] C[C@H](NC(=O)CO[*:1])c1ccc2CCCCc2c1
C[C@H](NC(=O)COc1cccnc1Cl)c1ccc2c(c1)CCCC2 Clc1ncccc1O[*:1] C[C@H](NC(=O)C[*:1])c1ccc2CCCCc2c1
C=C(C)[C@@](C)(O)c1ccc(Cl)cc1 C=C(C)[*:1] C[C@@](O)(c1ccc(Cl)cc1)[*:1]
Cc1cc(F)ccc1CNc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] Cc1cc(F)ccc1CNc1cnn(c1)[*:1]
CC1(C)Cc2[nH]c(=O)c(C(N)=O)cc2[C@@H](O)C1 NC(=O)[*:1] CC1(C)Cc2[nH]c(=O)c(cc2[C@@H](O)C1)[*:1]
COc1cccc(C[C@@H]([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)C[C@@H]([NH2+][C@H]1CCCc2[nH]c(=O)ccc21)[*:1]
COc1cccc(C[C@@H]([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)C2CC2)c1 COc1cccc(c1)[*:1] O=c1ccc2c(CCC[C@@H]2[NH2+][C@H](C[*:1])C2CC2)[nH]1
COc1cc(OC)cc([C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cc(cc(c1)[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[*:1])OC
COc1cc(OC)cc([C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)c2nccn2C)c1 COc1cc(cc(c1)[*:1])OC Cn1ccnc1[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[*:1]
C/C=C/c1ccc(OCc2coc(-c3ccc(OC)cc3)n2)c(OC)c1 COc1ccc(cc1)[*:1] C/C=C/c1ccc(OCc2coc(n2)[*:1])c(c1)OC
C/C=C/c1ccc(OCc2coc(-c3ccc(OC)cc3)n2)c(OC)c1 CC=C[*:1] COc1ccc(cc1)-c1nc(co1)COc1ccc(cc1OC)[*:1]
NC(=O)C1(NC(=O)C=C(C2CC2)C2CC2)CCCCC1 NC(=O)[*:1] O=C(C=C(C1CC1)C1CC1)NC1(CCCCC1)[*:1]
NC(=O)C1(NC(=O)C=C(C2CC2)C2CC2)CCCCC1 C1CC1[*:1] NC(=O)C1(CCCCC1)NC(=O)C=C(C1CC1)[*:1]
O=C(C1CCC(F)(F)CC1)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=C(C1CCC(F)(F)CC1)N1CCN(CC1)[*:1]
CN(C(=O)[C@@H]1CC2CC[N+]1(C)CC2)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)[C@@H]1CC2CC[N+]1(C)CC2)[*:1]
CCN(C(=O)CSCc1ccc(Cl)s1)C1CC1 C1CC1[*:1] CCN(C(=O)CSCc1ccc(Cl)s1)[*:1]
Cc1nccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)n1 Cc1nccc(n1)[*:1] O=C(Nc1nc2cc(F)c(F)cc2s1)[*:1]
COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3C)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(cs1)[*:1]
COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3C)n2)cc1 Cc1ccc(Cl)cc1[*:1] COc1ccc(cc1)-c1csc(n1)/C(C#N)=C/N[*:1]
Cc1n[nH]c(C(=O)N2CCC[C@H]2Cn2cccn2)c1Br c1cnn(c1)C[*:1] Cc1n[nH]c(C(=O)N2CCC[C@@H]2[*:1])c1Br
Cc1n[nH]c(C(=O)N2CCC[C@H]2Cn2cccn2)c1Br c1cnn(c1)[*:1] Cc1n[nH]c(C(=O)N2CCC[C@H]2C[*:1])c1Br
CN(CCN1CCN(S(C)(=O)=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCN1CCN(CC1)S(C)(=O)=O)[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)cc1F Cc1ccc(cc1F)[*:1] O=C1CCCc2cc(ccc2N1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
O=C(NCCC1=CCCCC1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1 C1CN(CCO1)[*:1] O=C(NCCC1=CCCCC1)c1cccc(c1)-c1ccc(nn1)[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)no2)cc1 CC(C)[*:1] CCOc1ccc(cc1)[C@@H]1CCCN1C(=O)c1cc(no1)[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)no2)cc1 CC(C)c1cc(on1)[*:1] CCOc1ccc(cc1)[C@@H]1CCCN1C(=O)[*:1]
CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)no2)cc1 CCO[*:1] CC(C)c1cc(on1)C(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
O=C(NCCc1nc2ccccc2[nH]1)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(NCCc1nc2ccccc2[nH]1)N[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1ncnc2sc(cc12)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c1 CC(=O)N[*:1] O=C(CSc1ncnc2sc(cc12)-c1ccccc1)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(CSc1ncnc2sc(cc12)-c1ccccc1)N[*:1]
COCC[NH+](C)Cc1cc(Cl)c2c(c1)OCCO2 COC[*:1] C[NH+](Cc1cc(Cl)c2OCCOc2c1)C[*:1]
COCC[NH+](C)Cc1cc(Cl)c2c(c1)OCCO2 COCC[*:1] C[NH+](Cc1cc(Cl)c2OCCOc2c1)[*:1]
C[S@@](=O)CCNC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 C1CC[C@@H](C[*:1])OC1 C[S@@](=O)CCNC(=O)N1CCC(CC1)O[*:1]
C[S@@](=O)CCNC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 C1CC[C@H](OC1)[*:1] C[S@@](=O)CCNC(=O)N1CCC(CC1)OC[*:1]
CN(C(=O)CSc1nnc(-c2ccncc2)o1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)CSc1nnc(o1)-c1ccncc1)[*:1]
CN(C(=O)CSc1nnc(-c2ccncc2)o1)C1CCCCC1 c1cc(ccn1)[*:1] CN(C(=O)CSc1nnc(o1)[*:1])C1CCCCC1
C[C@@H]1CCC[C@@H](OCc2cccc(N[C@H](C(N)=O)c3ccccc3)c2)C1 NC(=O)[*:1] C[C@@H]1CCC[C@H](C1)OCc1cccc(c1)N[C@H](c1ccccc1)[*:1]
C[C@@H]1CCC[C@@H](OCc2cccc(N[C@H](C(N)=O)c3ccccc3)c2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@H](C1)OCc1cccc(c1)N[C@H](C(N)=O)[*:1]
CCOC(=O)c1ccccc1N(C)C(=O)c1cncc(C)c1 CCOC(=O)[*:1] Cc1cncc(c1)C(=O)N(C)c1ccccc1[*:1]
CCOC(=O)c1ccccc1N(C)C(=O)c1cncc(C)c1 Cc1cncc(c1)[*:1] CCOC(=O)c1ccccc1N(C)C(=O)[*:1]
CNC(=O)C[NH+]1CCC(NC(=O)c2cc(Cl)c(Cl)n2C)CC1 CNC(=O)C[*:1] Cn1c(cc(Cl)c1Cl)C(=O)NC1CC[NH+](CC1)[*:1]
CNC(=O)C[NH+]1CCC(NC(=O)c2cc(Cl)c(Cl)n2C)CC1 CNC(=O)[*:1] Cn1c(cc(Cl)c1Cl)C(=O)NC1CC[NH+](CC1)C[*:1]
CC(C)CCOc1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1 CC(C)[*:1] NC(=O)[C@H]1COCCN1C(=O)c1ccc(cc1)OCC[*:1]
CC(C)CCOc1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1 CC(C)CC[*:1] NC(=O)[C@H]1COCCN1C(=O)c1ccc(cc1)O[*:1]
CC(C)CCOc1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1 NC(=O)[*:1] CC(C)CCOc1ccc(cc1)C(=O)N1CCOC[C@H]1[*:1]
CC(C)CCOc1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1 CC(C)C[*:1] NC(=O)[C@H]1COCCN1C(=O)c1ccc(cc1)OC[*:1]
CC(C)CCOc1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1 CC(C)CCO[*:1] NC(=O)[C@H]1COCCN1C(=O)c1ccc(cc1)[*:1]
C#CCN(CCn1c(=O)oc2cccnc21)C1CCCC1 C1CCC(C1)[*:1] C#CCN(CCn1c(=O)oc2cccnc21)[*:1]
C#CCN(CCn1c(=O)oc2cccnc21)C1CCCC1 C#CC[*:1] O=c1oc2cccnc2n1CCN(C1CCCC1)[*:1]
CCO/C(=C(/[C@H](O)C(C)(C)C)n1nnc2ccccc21)c1ccccc1 CCO[*:1] CC(C)(C)[C@@H](O)C(=C(c1ccccc1)[*:1])n1nnc2ccccc21
CCO/C(=C(/[C@H](O)C(C)(C)C)n1nnc2ccccc21)c1ccccc1 CC(C)(C)[*:1] CCO/C(=C(/[C@H](O)[*:1])n1nnc2ccccc21)c1ccccc1
CCO/C(=C(/[C@H](O)C(C)(C)C)n1nnc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CCO/C(=C(/[C@H](O)C(C)(C)C)n1nnc2ccccc21)[*:1]
CCNC(=O)CCSc1nnc(-c2cccc(Br)c2)n1C1CCCCC1 Brc1cccc(c1)[*:1] CCNC(=O)CCSc1nnc(n1C1CCCCC1)[*:1]
CCNC(=O)CCSc1nnc(-c2cccc(Br)c2)n1C1CCCCC1 C1CCC(CC1)[*:1] CCNC(=O)CCSc1nnc(-c2cccc(Br)c2)n1[*:1]
CCNC(=O)CCSc1nnc(-c2cccc(Br)c2)n1C1CCCCC1 CCNC(=O)CCS[*:1] Brc1cccc(c1)-c1nnc(n1C1CCCCC1)[*:1]
CCNC(=O)CCSc1nnc(-c2cccc(Br)c2)n1C1CCCCC1 CCNC(=O)C[*:1] Brc1cccc(c1)-c1nnc(SC[*:1])n1C1CCCCC1
CCNC(=O)CCSc1nnc(-c2cccc(Br)c2)n1C1CCCCC1 CCNC(=O)[*:1] Brc1cccc(c1)-c1nnc(SCC[*:1])n1C1CCCCC1
CCNC(=O)CCSc1nnc(-c2cccc(Br)c2)n1C1CCCCC1 CCNC(=O)CC[*:1] Brc1cccc(c1)-c1nnc(S[*:1])n1C1CCCCC1
COC[C@](C)(NC(=O)[C@@H](C)S(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)[C@@H](C)S(C)(=O)=O)[*:1]
COC[C@](C)(NC(=O)[C@@H](C)S(C)(=O)=O)c1ccccc1 CS(=O)(=O)[*:1] COC[C@](C)(NC(=O)[C@@H](C)[*:1])c1ccccc1
COC[C@](C)(NC(=O)[C@@H](C)S(C)(=O)=O)c1ccccc1 C[C@@H](S(C)(=O)=O)[*:1] COC[C@](C)(NC(=O)[*:1])c1ccccc1
COC[C@](C)(NC(=O)[C@@H](C)S(C)(=O)=O)c1ccccc1 COC[*:1] C[C@H](C(=O)N[C@@](C)(c1ccccc1)[*:1])S(C)(=O)=O
CC(C)N[C@](C)(C#N)CCn1ccnc1C#N CC(C)N[*:1] C[C@](C#N)(CCn1ccnc1C#N)[*:1]
CC(C)N[C@](C)(C#N)CCn1ccnc1C#N CC(C)[*:1] C[C@@](C#N)(CCn1ccnc1C#N)N[*:1]
Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1S(=O)(=O)N[C@H](C)[*:1])N1C(=O)CCS1(=O)=O
Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)N[C@H](C)c1ccccc1 O=C1CCS(=O)(=O)N1[*:1] Cc1cc(ccc1S(=O)(=O)N[C@H](C)c1ccccc1)[*:1]
Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)N[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] Cc1cc(ccc1S(=O)(=O)N[*:1])N1C(=O)CCS1(=O)=O
CCN(CCC#N)/C(=C/C#N)c1ccccc1 N#CC[*:1] CCN(C[*:1])/C(=C/C#N)c1ccccc1
CCN(CCC#N)/C(=C/C#N)c1ccccc1 N#CCC[*:1] CCN(/C(=C/C#N)c1ccccc1)[*:1]
Fc1cccc(NCc2noc(-c3cccs3)n2)c1F c1csc(c1)[*:1] Fc1cccc(NCc2noc(n2)[*:1])c1F
CC[C@@H](O)CN1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 CC[C@@H](O)C[*:1] O=C(c1ccc(nn1)N1CCCC1)N1CCN(CC1)[*:1]
CC[C@@H](O)CN1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 C1CCN(C1)[*:1] CC[C@@H](O)CN1CCN(CC1)C(=O)c1ccc(nn1)[*:1]
COc1cccc([C@@](N)(C(=O)[O-])C(F)(F)F)c1 FC(F)(F)[*:1] COc1cccc(c1)[C@@](N)(C(=O)[O-])[*:1]
COc1cccc([C@@](N)(C(=O)[O-])C(F)(F)F)c1 O=C([O-])[*:1] COc1cccc(c1)[C@@](N)(C(F)(F)F)[*:1]
O=C(NCC1CCN(c2cnccn2)CC1)C1(c2ccc(F)cc2)CC1 c1cnc(cn1)[*:1] O=C(NCC1CCN(CC1)[*:1])C1(CC1)c1ccc(F)cc1
O=C(NCC1CCN(c2cnccn2)CC1)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)c1cnccn1)C1(CC1)[*:1]
COc1ccc(C[C@@H](C)C(=O)NNc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C[C@@H](C)C(=O)NN[*:1]
CC1CC[NH+](CC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)CC1 CC(C)(C)C(=O)N[*:1] CC1CC[NH+](CC1)CC(=O)Nc1cccc(c1)[*:1]
CC1CC[NH+](CC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)CC1 CC(C)(C)[*:1] CC1CC[NH+](CC1)CC(=O)Nc1cccc(c1)NC(=O)[*:1]
CCCc1nnc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)s1 CCC[*:1] Cc1cc(C)c(O)c(c1)-c1cc([nH]n1)C(=O)Nc1nnc(s1)[*:1]
CCCc1nnc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)s1 CCCc1nnc(s1)[*:1] Cc1cc(C)c(O)c(c1)-c1cc([nH]n1)C(=O)N[*:1]
C[C@H](CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H](CC(=O)NC1CCN(CC1)c1ccc(C#N)cn1)NC(=O)[*:1]
C[C@H](CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 C[C@H](CC(=O)NC1CCN(CC1)c1ccc(C#N)cn1)[*:1]
C[C@H](CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)NC(=O)C1CCCC1 N#Cc1ccc(nc1)[*:1] C[C@H](CC(=O)NC1CCN(CC1)[*:1])NC(=O)C1CCCC1
c1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1 C1CCCC(CC1)[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)N[*:1]
c1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1 c1ccc(cc1)[*:1] c1nc(NC2CCCCCC2)c2cnn(c2n1)[*:1]
O=C(Nc1ccc(F)cc1F)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12
O=C(CCc1ccc2c(c1)CCO2)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CCc1ccc2OCCc2c1)NC1CC[NH+](CC1)[*:1]
O=C(CCc1ccc2c(c1)CCO2)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCc1ccc2OCCc2c1)NC1CC[NH+](CC1)C[*:1]
O=C(CCc1ccc2c(c1)CCO2)NC1CC[NH+](Cc2ccccc2)CC1 c1cc2OCCc2cc1[*:1] O=C(CC[*:1])NC1CC[NH+](CC1)Cc1ccccc1
CCCC(=O)Nc1cccc(CNC(=O)CN2CCc3[nH]ncc3C2)c1 CCCC(=O)N[*:1] O=C(CN1CCc2[nH]ncc2C1)NCc1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)CN2CCc3[nH]ncc3C2)c1 CCC[*:1] O=C(CN1CCc2[nH]ncc2C1)NCc1cccc(c1)NC(=O)[*:1]
CCOc1ccccc1[C@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCC1 CCOc1ccccc1[*:1] OC1CS[C@@H](c2c(O)nn(c2N=1)C1CCCCCC1)[*:1]
CCOc1ccccc1[C@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCC1 C1CCCC(CC1)[*:1] CCOc1ccccc1[C@H]1SCC(O)=Nc2c1c(O)nn2[*:1]
CCOc1ccccc1[C@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCC1 CCO[*:1] OC1CS[C@H](c2ccccc2[*:1])c2c(O)nn(c2N=1)C1CCCCCC1
Cc1ccc(OCC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 Cc1ccc(cc1)OC[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccc(F)cc1)[*:1]
Cc1ccc(OCC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])NCC[NH+]1CCN(CC1)c1ccc(F)cc1
Cc1ccc(OCC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)OCC(=O)NCC[NH+]1CCN(CC1)[*:1]
Cc1ccc(OCC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])NCC[NH+]1CCN(CC1)c1ccc(F)cc1
O=[N+]([O-])c1ccc(C2=NOc3cc(Cl)ccc3N2)cc1 O=[N+]([O-])[*:1] Clc1ccc2NC(=NOc2c1)c1ccc(cc1)[*:1]
Cc1ccc(C)c(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c1 Cc1ccc(C)c(c1)[*:1] CC1(C)Cc2cccc(OCC(=O)OCC(=O)N[*:1])c2O1
C[C@@H](CCCO)[NH2+][C@H](C)c1ccccn1 OCCC[*:1] C[C@@H]([NH2+][C@H](C)c1ccccn1)[*:1]
C[C@@H](CCCO)[NH2+][C@H](C)c1ccccn1 OCC[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)c1ccccn1
O=C(Nc1cccc(-c2nc3ccc(Cl)cc3c(=O)[nH]2)c1)C1CCC1 C1CC(C1)[*:1] O=C(Nc1cccc(c1)-c1nc2ccc(Cl)cc2c(=O)[nH]1)[*:1]
O=C(Nc1cccc(-c2nc3ccc(Cl)cc3c(=O)[nH]2)c1)C1CCC1 O=C(N[*:1])C1CCC1 O=c1[nH]c(nc2ccc(Cl)cc12)-c1cccc(c1)[*:1]
CCCn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 Clc1ccc(cc1Cl)[*:1] CCCn1c(=N)n(CC(=O)[*:1])c2ccccc21
CCCn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 CCC[*:1] N=c1n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2n1[*:1]
C[C@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 NC(=O)[*:1] C[C@H]1CCCN(CC1)C(=O)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
C[C@@H]1CCCN(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)C1 CC(C)(C)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)[N-]c1cnc(nc1)[*:1]
CCOC(=O)c1ccc(N2CCN(CCn3cccn3)CC2)nc1 c1cnn(c1)C[*:1] CCOC(=O)c1ccc(nc1)N1CCN(CC1)C[*:1]
CCOC(=O)c1ccc(N2CCN(CCn3cccn3)CC2)nc1 c1cnn(c1)CC[*:1] CCOC(=O)c1ccc(nc1)N1CCN(CC1)[*:1]
CCOC(=O)c1ccc(N2CCN(CCn3cccn3)CC2)nc1 CCOC(=O)[*:1] c1cnn(c1)CCN1CCN(CC1)c1ccc(cn1)[*:1]
CCOC(=O)c1ccc(N2CCN(CCn3cccn3)CC2)nc1 c1cnn(c1)[*:1] CCOC(=O)c1ccc(nc1)N1CCN(CC1)CC[*:1]
CC(C)CN(CC(C)C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)CN(CC(C)C)C(=O)/C=C/c1cccc(c1)[*:1]
CC(C)CN(CC(C)C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 CC(C)C[*:1] CC(C)CN(C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])[*:1]
CC(C)CN(CC(C)C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 CC(C)[*:1] CC(C)CN(C[*:1])C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
C[C@@H](Cc1ccc(O)cc1)NC(=O)C[C@H](O)c1ccccc1 Oc1ccc(cc1)[*:1] C[C@@H](C[*:1])NC(=O)C[C@H](O)c1ccccc1
C[C@@H](Cc1ccc(O)cc1)NC(=O)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)C[C@H](O)[*:1]
O=C(N[C@@H]1CCCc2ccccc21)c1ccc(N2CCC(O)CC2)cc1 OC1CCN(CC1)[*:1] O=C(N[C@@H]1CCCc2ccccc21)c1ccc(cc1)[*:1]
O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2nc(C3CC3)cs2)CC1 c1sc(nc1C1CC1)[*:1] O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)C[*:1]
O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2nc(C3CC3)cs2)CC1 c1sc(C[*:1])nc1C1CC1 O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)[*:1]
O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2nc(C3CC3)cs2)CC1 c1ccc(cc1)[*:1] O=C(C(c1ccccc1)[*:1])N1CCN(CC1)Cc1nc(cs1)C1CC1
O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2nc(C3CC3)cs2)CC1 C1CC1[*:1] O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)Cc1nc(cs1)[*:1]
O=C(NCCc1cccc(OC(F)(F)F)c1)c1cn2cc(Br)cnc2n1 FC(F)(F)[*:1] O=C(NCCc1cccc(c1)O[*:1])c1cn2cc(Br)cnc2n1
O=C(NCCc1cccc(OC(F)(F)F)c1)c1cn2cc(Br)cnc2n1 FC(F)(F)O[*:1] O=C(NCCc1cccc(c1)[*:1])c1cn2cc(Br)cnc2n1
CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2C(=O)[O-])cc1 CC(C)[*:1] C[NH+]1CCCN(CC1)c1ccc(NS(=O)(=O)c2ccc(cc2)C[*:1])c(c1)C(=O)[O-]
CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2C(=O)[O-])cc1 CC(C)Cc1ccc(cc1)[*:1] C[NH+]1CCCN(CC1)c1ccc(NS(=O)(=O)[*:1])c(c1)C(=O)[O-]
CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2C(=O)[O-])cc1 CC(C)C[*:1] C[NH+]1CCCN(CC1)c1ccc(NS(=O)(=O)c2ccc(cc2)[*:1])c(c1)C(=O)[O-]
CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1[*:1])N1CCC[NH+](C)CC1
Cc1sc2ncnc(NCc3ccc([N+](=O)[O-])cc3)c2c1C O=[N+]([O-])[*:1] Cc1sc2ncnc(NCc3ccc(cc3)[*:1])c2c1C
Cc1ccc(N2CC[C@H](N[C@H](C)c3ccnc(Cl)c3)C2=O)cc1 Clc1cc(ccn1)[*:1] Cc1ccc(cc1)N1CC[C@H](N[C@H](C)[*:1])C1=O
Cc1ccc(N2CC[C@H](N[C@H](C)c3ccnc(Cl)c3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](N[C@H]1CCN(C1=O)[*:1])c1ccnc(Cl)c1
O=C1N/C(=N/N=C\c2ccccc2)S/C1=C\c1ccccc1 c1ccc(cc1)[*:1] O=C1N/C(=N/N=C\c2ccccc2)SC1=C[*:1]
O=C1N/C(=N/N=C\c2ccccc2)S/C1=C\c1ccccc1 c1ccc(cc1)[*:1] O=C1N/C(=N/N=C[*:1])S/C1=C\c1ccccc1
Cc1cc(NC(=O)CNc2ccc(COc3ccccc3)cc2)on1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CNc2ccc(cc2)CO[*:1])on1
Cc1cc(NC(=O)CNc2ccc(COc3ccccc3)cc2)on1 c1ccc(cc1)O[*:1] Cc1cc(NC(=O)CNc2ccc(cc2)C[*:1])on1
Cc1cc(NC(=O)CNc2ccc(COc3ccccc3)cc2)on1 Cc1cc(on1)[*:1] O=C(CNc1ccc(cc1)COc1ccccc1)N[*:1]
Cc1cc(NC(=O)CNc2ccc(COc3ccccc3)cc2)on1 c1ccc(cc1)OC[*:1] Cc1cc(NC(=O)CNc2ccc(cc2)[*:1])on1
CCC(=O)Nc1ccc2nn(-c3ccc(CC)cc3)nc2c1 CCC(=O)N[*:1] CCc1ccc(cc1)-n1nc2ccc(cc2n1)[*:1]
C[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(NC(N)=O)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)[C@@H](C)Oc1ccc(cc1)[*:1])c1ccc(cc1)NC(N)=O
C[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@H](NC(=O)[C@@H](C)Oc1ccc(cc1)C(C)(C)C)c1ccc(cc1)[*:1]
C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1F)c1nccs1 c1csc(n1)[*:1] C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1F)[*:1]
CC[C@@H](C)[C@@](C)(O)CNC(=O)N[C@@H](C)CSC CSC[*:1] CC[C@@H](C)[C@@](C)(O)CNC(=O)N[C@@H](C)[*:1]
CC[C@@H](C)[C@@](C)(O)CNC(=O)N[C@@H](C)CSC CC[C@@H](C)[*:1] CSC[C@H](C)NC(=O)NC[C@@](C)(O)[*:1]
CC[C@@H](C)[C@@](C)(O)CNC(=O)N[C@@H](C)CSC CSC[C@H](C)[*:1] CC[C@@H](C)[C@@](C)(O)CNC(=O)N[*:1]
CC(C)[C@H]1C(=O)N[C@@H](C)C(=O)N1c1ccc(Cl)c(Br)c1 CC(C)[*:1] C[C@@H]1NC(=O)[C@@H](N(C1=O)c1ccc(Cl)c(Br)c1)[*:1]
Cc1ccc2c(c1)N(C(=O)c1cc3cnn(C(C)C)c3nc1C)C[C@H](C)O2 CC(C)[*:1] Cc1ccc2O[C@@H](C)CN(C(=O)c3cc4cnn(c4nc3C)[*:1])c2c1
CC(C)n1nccc1-c1nnc(NC(=O)c2cccc(S(C)(=O)=O)c2)o1 CS(=O)(=O)[*:1] CC(C)n1nccc1-c1nnc(NC(=O)c2cccc(c2)[*:1])o1
CC(C)n1nccc1-c1nnc(NC(=O)c2cccc(S(C)(=O)=O)c2)o1 CC(C)n1nccc1[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1nnc(o1)[*:1]
CC(C)n1nccc1-c1nnc(NC(=O)c2cccc(S(C)(=O)=O)c2)o1 CC(C)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1nnc(o1)-c1ccnn1[*:1]
Cc1nccn1-c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)cc1 Cc1nccn1[*:1] O=C(/C=C/c1ccc(c(O)c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)cc1 O=[N+]([O-])[*:1] Cc1nccn1-c1ccc(cc1)C(=O)/C=C/c1ccc(c(O)c1)[*:1]
[NH3+]Cc1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] [NH3+]Cc1cccc(c1)NC(=O)[*:1]
Cc1ccc(-n2c(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)nc3ccccc3c2=O)nc1 Cc1ccc(nc1)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1[*:1])c1nc2ccccc2c(=O)[nH]1
COc1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1SC OCCn1nccc1[*:1] COc1ccc(cc1SC)C[NH+]1CCC(CC1)[*:1]
COc1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1SC OCC[*:1] COc1ccc(cc1SC)C[NH+]1CCC(CC1)c1ccnn1[*:1]
Cc1ccsc1C(=O)NNC(=O)c1cccnc1OCC(F)F FC(F)CO[*:1] Cc1ccsc1C(=O)NNC(=O)c1cccnc1[*:1]
Cc1ccsc1C(=O)NNC(=O)c1cccnc1OCC(F)F Cc1ccsc1[*:1] O=C(NNC(=O)[*:1])c1cccnc1OCC(F)F
Cc1ccsc1C(=O)NNC(=O)c1cccnc1OCC(F)F FC(F)[*:1] Cc1ccsc1C(=O)NNC(=O)c1cccnc1OC[*:1]
Cc1ccsc1C(=O)NNC(=O)c1cccnc1OCC(F)F FC(F)C[*:1] Cc1ccsc1C(=O)NNC(=O)c1cccnc1O[*:1]
CCN(Cc1ccccc1)c1ccc(C#N)c(N)c1 c1ccc(cc1)[*:1] CCN(C[*:1])c1ccc(C#N)c(N)c1
C[NH+](C)[C@@H](CNC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccccc1[N-]S(C)(=O)=O)[*:1]
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Cn1ccnc1 c1cn(cn1)C[*:1] Cc1nc(sc1[C@H](C)NC(=O)[*:1])-c1ccc(Cl)cc1
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Cn1ccnc1 Clc1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)NC(=O)Cn1ccnc1)[*:1]
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)Cn1ccnc1 c1cn(cn1)[*:1] Cc1nc(sc1[C@H](C)NC(=O)C[*:1])-c1ccc(Cl)cc1
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)/C=C/C1CC1 C1CC1[*:1] C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C=C[*:1]
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)/C=C/C1CC1 c1ccc(cc1)[*:1] C[C@@H](CC(C)(C)[*:1])NC(=O)/C=C/C1CC1
C[C@@H](CC(C)(C)c1ccccc1)NC(=O)/C=C/C1CC1 C(=C[*:1])C1CC1 C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[*:1]
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(C)C)cc1 COC(=O)[*:1] CC1NC(=O)N[C@H](C=1[*:1])c1ccc(cc1)C(C)C
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(cc1)[*:1]
COc1ccc([C@@H](O)CNC(=O)C[C@@H](C)n2cccc2)cc1 c1ccn(c1)[*:1] COc1ccc(cc1)[C@@H](O)CNC(=O)C[C@@H](C)[*:1]
O=C1C[C@@H]([NH2+]Cc2ccco2)C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@@H]([NH2+]Cc2ccco2)C(=O)N1[*:1]
O=C1C[C@@H]([NH2+]Cc2ccco2)C(=O)N1c1ccc(F)cc1 c1coc(c1)[*:1] O=C1C[C@@H]([NH2+]C[*:1])C(=O)N1c1ccc(F)cc1
O=C1C[C@@H]([NH2+]Cc2ccco2)C(=O)N1c1ccc(F)cc1 c1coc(c1)C[*:1] O=C1C[C@@H]([NH2+][*:1])C(=O)N1c1ccc(F)cc1
O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1cccc(c1)[*:1]
O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)n(CC[*:1])c(=O)c2ccccc21)Nc1cccc(c1)C(F)(F)F
O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)C[*:1] O=C(Cn1c(=O)n(C[*:1])c(=O)c2ccccc21)Nc1cccc(c1)C(F)(F)F
O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)N[*:1]
O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 c1ccc(cc1)CC[*:1] O=C(Cn1c(=O)n(c(=O)c2ccccc21)[*:1])Nc1cccc(c1)C(F)(F)F
CCOc1ccc(OCC)c(N[C@H]2CC[C@H]([NH3+])C2)c1 CCO[*:1] CCOc1ccc(cc1N[C@H]1CC[C@H]([NH3+])C1)[*:1]
CCOc1ccc(OCC)c(N[C@H]2CC[C@H]([NH3+])C2)c1 CCO[*:1] CCOc1ccc(c(c1)N[C@H]1CC[C@H]([NH3+])C1)[*:1]
COc1cccc2cc(C(=O)Nc3nnc(Cc4ccc5c(c4)OCCO5)o3)oc12 c1cc2OCCOc2cc1[*:1] COc1cccc2cc(oc12)C(=O)Nc1nnc(C[*:1])o1
COC[C@H](NC(=O)/C=C/c1ccc(Br)s1)C(N)=O COC[*:1] NC(=O)[C@@H](NC(=O)/C=C/c1ccc(Br)s1)[*:1]
COC[C@H](NC(=O)/C=C/c1ccc(Br)s1)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)/C=C/c1ccc(Br)s1)[*:1]
COC[C@H](NC(=O)/C=C/c1ccc(Br)s1)C(N)=O Brc1ccc(s1)[*:1] COC[C@H](NC(=O)C=C[*:1])C(N)=O
Cc1cccc(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)n1 Cc1cccc(n1)[*:1] Cc1nn(CC(C)C)c2sc(cc12)C(=O)N[*:1]
Cc1cccc(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)n1 CC(C)C[*:1] Cc1cccc(n1)NC(=O)c1cc2c(C)nn(c2s1)[*:1]
Cc1cccc(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)n1 CC(C)[*:1] Cc1cccc(n1)NC(=O)c1cc2c(C)nn(C[*:1])c2s1
C[C@H](CCc1ccccc1)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O
C[C@H](CCc1ccccc1)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O c1ccc(cc1)CC[*:1] C[C@H](NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)[*:1]
C[C@H](CCc1ccccc1)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O
O=C(NCC1CC1)[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 C1CC1[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)Cn1ncc2cc(ccc21)[N+](=O)[O-]
O=C(NCC1CC1)[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 C1CC1C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)Cn1ncc2cc(ccc21)[N+](=O)[O-]
O=C(NCC1CC1)[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 O=C(NCC1CC1)[*:1] O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@@H](C2)[*:1])c1
O=C(NCC1CC1)[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 O=[N+]([O-])[*:1] O=C(NCC1CC1)[C@H]1CCCN(C1)Cn1ncc2cc(ccc21)[*:1]
CCC1(CNC(=O)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 CCC1(CC1)C[*:1] COc1cc(Cl)c(C)cc1NC(=O)C(=O)N[*:1]
CCC1(CNC(=O)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 CCC1(CC1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)C(=O)NC[*:1]
CO[C@H](C)/C(N)=N/O[C@H](C)C(=O)Nc1cccc(Cl)c1 CO[C@H](C)[*:1] C[C@@H](O/N=C(\N)[*:1])C(=O)Nc1cccc(Cl)c1
Nc1c(NC[C@@H]2CCCO2)ncnc1NNC(=O)Cc1ccccc1 C1CO[C@@H](C1)CN[*:1] Nc1c(ncnc1[*:1])NNC(=O)Cc1ccccc1
Nc1c(NC[C@@H]2CCCO2)ncnc1NNC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Nc1c(ncnc1NNC(=O)[*:1])NC[C@@H]1CCCO1
Nc1c(NC[C@@H]2CCCO2)ncnc1NNC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Nc1c(ncnc1NNC(=O)C[*:1])NC[C@@H]1CCCO1
O=C(N[C@@H](c1nccs1)C1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 c1csc(n1)[*:1] O=C(N[C@@H](C1CC1)[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
O=C(N[C@@H](c1nccs1)C1CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 C1CC1[*:1] O=C(N[C@@H](c1nccs1)[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
CNC(=O)c1ccc(Cl)cc1NCC(=O)NC1(C#N)CCCCCC1 CNC(=O)[*:1] N#CC1(CCCCCC1)NC(=O)CNc1cc(Cl)ccc1[*:1]
CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 c1ccc(cc1)[*:1] CCCc1nnc2S[C@@H](C(=O)Nc3ccc(C)cc3C)[C@@H](Nn12)[*:1]
CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 Cc1ccc(c(C)c1)[*:1] CCCc1nnc2S[C@@H](C(=O)N[*:1])[C@H](Nn12)c1ccccc1
CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 CCC[*:1] Cc1ccc(NC(=O)[C@@H]2Sc3nnc(n3N[C@@H]2c2ccccc2)[*:1])c(C)c1
[NH3+][C@H](Cc1ccc(F)cc1)c1ccc(Br)c2ccccc12 Fc1ccc(cc1)[*:1] [NH3+][C@H](C[*:1])c1ccc(Br)c2ccccc12
C[C@@H]1CN(Cc2c[nH]nc2C(C)(C)C)C[C@H](c2ccc(F)cc2)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(Cc2c[nH]nc2C(C)(C)C)C[C@H](O1)[*:1]
C[C@@H]1CN(Cc2c[nH]nc2C(C)(C)C)C[C@H](c2ccc(F)cc2)O1 CC(C)(C)[*:1] C[C@@H]1CN(Cc2c[nH]nc2[*:1])C[C@@H](O1)c1ccc(F)cc1
CCC[C@H](O)CNC(=O)NCc1cccc([N+]2=CCCC2)c1 CCC[C@H](O)C[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)N[*:1]
CCC[C@H](O)CNC(=O)NCc1cccc([N+]2=CCCC2)c1 CCC[C@H](O)[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)NC[*:1]
CCC[C@H](O)CNC(=O)NCc1cccc([N+]2=CCCC2)c1 CCC[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)NC[C@@H](O)[*:1]
O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(Cn1ccn2nc(cc2c1=O)-c1ccccc1)N[*:1]
O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)Nc1ccc(F)cc1F c1ccc(cc1)[*:1] O=C(Cn1ccn2nc(cc2c1=O)[*:1])Nc1ccc(F)cc1F
CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 c1ccc(nc1)[*:1] CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc(s1)[*:1]
CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 CC(C)[*:1] c1ccc(nc1)-c1ncc(C[NH2+]C[C@H]2CCO[C@@H]2[*:1])s1
CCOc1ccc(NC(=O)CNC(=O)c2nc(SC)ncc2Cl)cc1 CCO[*:1] CSc1ncc(Cl)c(n1)C(=O)NCC(=O)Nc1ccc(cc1)[*:1]
CSc1ccc(/C=C/C(=O)NC[C@@](C)(O)c2ccco2)cc1 c1coc(c1)[*:1] CSc1ccc(/C=C/C(=O)NC[C@@](C)(O)[*:1])cc1
COc1ccc(F)cc1NC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C COc1ccc(F)cc1[*:1] Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[*:1]
COc1ccc(F)cc1NC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C Cc1nnnn1[*:1] COc1ccc(F)cc1NC(=O)C(=Cc1ccc(F)cc1)[*:1]
COc1ccc(F)cc1NC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C Fc1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)C(=C[*:1])n1nnnc1C
O=S(=O)(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccc(F)c1 c1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](c1c[nH]c2ccccc12)[*:1])c1cccc(F)c1
O=S(=O)(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccc(F)c1 c1ccc2c(c[nH]c2c1)[*:1] O=S(=O)(NC[C@@H](c1ccccc1)[*:1])c1cccc(F)c1
O=S(=O)(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=S(=O)(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
C[C@@H]1OCC[C@H]1C(=O)OCc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@H]1C(=O)OCc1cnc(s1)[*:1]
C[C@H](NC(=O)NCc1ccnc(OCC(F)(F)F)c1)[C@H]1CCCO1 FC(F)(F)[*:1] C[C@H](NC(=O)NCc1ccnc(c1)OC[*:1])[C@H]1CCCO1
C[C@H](NC(=O)NCc1ccnc(OCC(F)(F)F)c1)[C@H]1CCCO1 FC(F)(F)C[*:1] C[C@H](NC(=O)NCc1ccnc(c1)O[*:1])[C@H]1CCCO1
C[C@H](NC(=O)NCc1ccnc(OCC(F)(F)F)c1)[C@H]1CCCO1 FC(F)(F)CO[*:1] C[C@H](NC(=O)NCc1ccnc(c1)[*:1])[C@H]1CCCO1
C[C@H](NC(=O)NCc1ccnc(OCC(F)(F)F)c1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)NCc1ccnc(c1)OCC(F)(F)F)[*:1]
CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)CC1 CC(C)(C)[*:1] CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCCC[C@@H]2[*:1])CC1
COc1ccccc1N1CC[C@H](CNC(=O)Nc2cc(C(C)(C)C)on2)C1 COc1ccccc1[*:1] CC(C)(C)c1cc(no1)NC(=O)NC[C@H]1CCN(C1)[*:1]
COc1ccccc1N1CC[C@H](CNC(=O)Nc2cc(C(C)(C)C)on2)C1 CC(C)(C)c1cc(no1)[*:1] COc1ccccc1N1CC[C@H](CNC(=O)N[*:1])C1
COc1ccccc1N1CC[C@H](CNC(=O)Nc2cc(C(C)(C)C)on2)C1 CC(C)(C)[*:1] COc1ccccc1N1CC[C@H](CNC(=O)Nc2cc(on2)[*:1])C1
CC(=O)c1cccc(NC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)c1 c1ccc(cc1)C[*:1] CC(=O)c1cccc(c1)NC(=O)N(Cc1cc[nH]n1)[*:1]
CC(=O)c1cccc(NC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)N(Cc1cc[nH]n1)C[*:1]
CC(=O)c1cccc(NC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N(Cc1ccccc1)Cc1cc[nH]n1
COc1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c(OC)cc1Cl Clc1ccccc1[*:1] COc1cc(NC(=O)c2cc([nH]n2)[*:1])c(cc1Cl)OC
O=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)c1ccc2ccccc2c1 C1CN(CCO1)[*:1] O=C(Cn1nc(-c2ccco2)c2sc(nc2c1=O)[*:1])c1ccc2ccccc2c1
O=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)c1ccc2ccccc2c1 c1coc(c1)[*:1] O=C(Cn1nc(c2sc(nc2c1=O)N1CCOCC1)[*:1])c1ccc2ccccc2c1
O=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] O=C(Cn1nc(-c2ccco2)c2sc(nc2c1=O)N1CCOCC1)[*:1]
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)cc1 CS(=O)(=O)[*:1] O=S(=O)([N-]c1ccc2OC(F)(F)Oc2c1)c1ccc(cc1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC2)C1 CS(=O)(=O)[*:1] C1C[C@H](C[C@@H](C1)[*:1])[NH2+][C@@H]1CCOC1
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC2)C1 C1C[C@H](CO1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[NH2+][*:1]
C#CCN1C(=O)N=C(N)[C@H]1c1ccccc1 C#CC[*:1] NC1=NC(=O)N([C@@H]1c1ccccc1)[*:1]
Cc1c(-c2ccccc2)c(=O)oc2ccc(O)cc12 c1ccc(cc1)[*:1] Cc1c(c(=O)oc2ccc(O)cc12)[*:1]
C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl Clc1cccc(c1)[*:1] C[C@@H](Sc1nncn1[*:1])C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]
C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1Cl)[*:1]
C[C@H]1CN(c2cncc(C(N)=O)n2)CCO1 NC(=O)[*:1] C[C@H]1CN(CCO1)c1cncc(n1)[*:1]
CNC(=O)c1cccc(OCc2ncc(-c3cccc(OC)c3)o2)c1 CNC(=O)[*:1] COc1cccc(c1)-c1cnc(COc2cccc(c2)[*:1])o1
CNC(=O)c1cccc(OCc2ncc(-c3cccc(OC)c3)o2)c1 COc1cccc(c1)[*:1] CNC(=O)c1cccc(c1)OCc1ncc(o1)[*:1]
C#CCOCC1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 C#CC[*:1] Cc1cccc(c1)CS(=O)(=O)N1CCC(CC1)CO[*:1]
C#CCOCC1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] C#CCOCC1CCN(CC1)S(=O)(=O)C[*:1]
C#CCOCC1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 C#CCO[*:1] Cc1cccc(c1)CS(=O)(=O)N1CCC(CC1)C[*:1]
C#CCOCC1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 C#CCOC[*:1] Cc1cccc(c1)CS(=O)(=O)N1CCC(CC1)[*:1]
O=C(NCc1ccc(C(F)(F)F)cc1)c1cncn1-c1ccccc1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cncn1-c1ccccc1
O=C(NCc1ccc(C(F)(F)F)cc1)c1cncn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)c1cncn1[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)c1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] CCc1ccccc1NC(=O)CN(C)C(=O)c1cccc(c1)[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)c1cccc(-n2cccc2)c1 CCc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)c1cccc(c1)-n1cccc1
CC(C)(C)[C@@H]1OCC[C@H]1CNc1cnccc1C#N CC(C)(C)[*:1] N#Cc1ccncc1NC[C@@H]1CCO[C@H]1[*:1]
NC(=O)Cc1ccc(OCC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 NC(=O)[*:1] O=C(COc1ccc(cc1)C[*:1])N1CCC[C@H]1c1cccc(F)c1
NC(=O)Cc1ccc(OCC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 NC(=O)C[*:1] O=C(COc1ccc(cc1)[*:1])N1CCC[C@H]1c1cccc(F)c1
NC(=O)Cc1ccc(OCC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] NC(=O)Cc1ccc(cc1)OCC(=O)N1CCC[C@@H]1[*:1]
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ncnc3sc(C)c(C)c23)cc1 CCN(CC)S(=O)(=O)[*:1] Cc1sc2ncnc(N[C@H](C)c3ccc(cc3)[*:1])c2c1C
CC(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C N#Cc1cccnc1[*:1] CC(=O)N[C@@H](C)C(=O)Nc1ccc(cc1C)O[*:1]
CC(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C CC(=O)N[C@@H](C)[*:1] Cc1cc(ccc1NC(=O)[*:1])Oc1ncccc1C#N
CC(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C CC(=O)N[*:1] Cc1cc(ccc1NC(=O)[C@H](C)[*:1])Oc1ncccc1C#N
C[C@H](Nc1cccc(OCc2ccccn2)c1)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@H](Nc1cccc(c1)OCc1ccccn1)[*:1]
C[C@H](Nc1cccc(OCc2ccccn2)c1)C(=O)NC(N)=O c1ccc(nc1)[*:1] C[C@H](Nc1cccc(c1)OC[*:1])C(=O)NC(N)=O
C[C@H](Nc1cccc(OCc2ccccn2)c1)C(=O)NC(N)=O c1ccc(C[*:1])nc1 C[C@H](Nc1cccc(c1)O[*:1])C(=O)NC(N)=O
O=C(NCCC[NH2+]Cc1cccnc1)C1CCC1 C1CC(C1)[*:1] O=C(NCCC[NH2+]Cc1cccnc1)[*:1]
O=C(NCCC[NH2+]Cc1cccnc1)C1CCC1 c1cncc(c1)[*:1] O=C(NCCC[NH2+]C[*:1])C1CCC1
COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)Cc1cccc2ccccc12 O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)NNC(=O)Cc1cccc2ccccc12)[*:1]
CCOc1cnc(C(=O)N/N=C/c2cccnc2)o1 CCO[*:1] O=C(N/N=C/c1cccnc1)c1ncc(o1)[*:1]
CCOc1cnc(C(=O)N/N=C/c2cccnc2)o1 c1cncc(c1)[*:1] CCOc1cnc(o1)C(=O)NN=C[*:1]
CCOc1ncccc1C(=O)Nc1ccccc1C(=O)NCC(F)(F)F FC(F)(F)[*:1] CCOc1ncccc1C(=O)Nc1ccccc1C(=O)NC[*:1]
CCOc1ncccc1C(=O)Nc1ccccc1C(=O)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] CCOc1ncccc1C(=O)Nc1ccccc1[*:1]
CCOc1ncccc1C(=O)Nc1ccccc1C(=O)NCC(F)(F)F CCO[*:1] O=C(NCC(F)(F)F)c1ccccc1NC(=O)c1cccnc1[*:1]
CCOc1ncccc1C(=O)Nc1ccccc1C(=O)NCC(F)(F)F FC(F)(F)C[*:1] CCOc1ncccc1C(=O)Nc1ccccc1C(=O)N[*:1]
COc1ccc(F)cc1CN1CCO[C@@H](Cn2cc(C)cn2)C1 Cc1cnn(c1)[*:1] COc1ccc(F)cc1CN1CCO[C@H](C1)C[*:1]
COc1ccc(F)cc1CN1CCO[C@@H](Cn2cc(C)cn2)C1 Cc1cnn(c1)C[*:1] COc1ccc(F)cc1CN1CCO[C@@H](C1)[*:1]
CC[C@@H]1OCCC[C@H]1C[NH2+]C(C)(C)C CC(C)(C)[*:1] CC[C@@H]1OCCC[C@H]1C[NH2+][*:1]
Fc1cccnc1N1CC[NH+](CC2CCCC2)CC1 C1CCC(C1)[*:1] Fc1cccnc1N1CC[NH+](CC1)C[*:1]
Fc1cccnc1N1CC[NH+](CC2CCCC2)CC1 C1CCC(C1)C[*:1] Fc1cccnc1N1CC[NH+](CC1)[*:1]
COC(=O)C1=C(C)N=C(C(=O)[C@H](C)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)[C@@H]1C CC(C)[*:1] COC(=O)C1=C(C)N=C(C(=O)[C@H](C)N2CCN(CC2)c2cc(C)[nH+]c(n2)[*:1])[C@@H]1C
COC(=O)C1=C(C)N=C(C(=O)[C@H](C)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)[C@@H]1C COC(=O)[*:1] CC1N=C(C(=O)[C@H](C)N2CCN(CC2)c2cc(C)[nH+]c(n2)C(C)C)[C@H](C)C=1[*:1]
Cc1cccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1C)OCC(=O)NNC(=O)[*:1]
Cc1ccc2c(c1)N(c1ncc([N+](=O)[O-])c(N)n1)CC2 O=[N+]([O-])[*:1] Cc1ccc2CCN(c3ncc(c(N)n3)[*:1])c2c1
CC[C@@H](COC)NC(=O)[C@@H](C)C[NH2+]C COC[*:1] CC[C@@H](NC(=O)[C@@H](C)C[NH2+]C)[*:1]
c1ccc(-n2ncc(CN(C[C@H]3CCCO3)[C@@H]3CCSC3)n2)cc1 C1CO[C@H](C1)C[*:1] c1ccc(cc1)-n1ncc(CN([C@@H]2CCSC2)[*:1])n1
c1ccc(-n2ncc(CN(C[C@H]3CCCO3)[C@@H]3CCSC3)n2)cc1 c1ccc(cc1)[*:1] c1nn(nc1CN(C[C@H]1CCCO1)[C@@H]1CCSC1)[*:1]
c1ccc(-n2ncc(CN(C[C@H]3CCCO3)[C@@H]3CCSC3)n2)cc1 C1CO[C@H](C1)[*:1] c1ccc(cc1)-n1ncc(CN(C[*:1])[C@@H]2CCSC2)n1
CC(=O)N[C@@H](C)C(=O)N(C)Cc1ccccc1N1CCOCC1 CC(=O)N[*:1] C[C@@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)[*:1]
CC(=O)N[C@@H](C)C(=O)N(C)Cc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] CC(=O)N[C@@H](C)C(=O)N(C)Cc1ccccc1[*:1]
O=C(Cc1csc2[n+]1CCN2)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(Cc1csc2NCC[n+]12)N[C@@H]1CC(=O)N(C1)C[*:1]
O=C(Cc1csc2[n+]1CCN2)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 Fc1cccc(c1)C[*:1] O=C(Cc1csc2NCC[n+]12)N[C@@H]1CC(=O)N(C1)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CSc1ncnc2sccc12 c1nc(c2ccsc2n1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CS[*:1]
Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCCC1 c1cc(on1)[*:1] Cc1sc(cc1S(=O)(=O)N1CCCC1)[*:1]
COc1cccc(NC(=O)CC[S@](=O)Cc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)NC(=O)CC[S@](=O)C[*:1]
CC[C@@H](C)n1nccc1NC(=O)CSc1nnnn1C Cn1nnnc1[*:1] CC[C@@H](C)n1nccc1NC(=O)CS[*:1]
CC[C@@H](C)n1nccc1NC(=O)CSc1nnnn1C CC[C@@H](C)[*:1] Cn1nnnc1SCC(=O)Nc1ccnn1[*:1]
Cn1cccc1[C@H](CNC(=O)c1ccc(Br)o1)[NH+]1CCOCC1 Brc1ccc(o1)[*:1] Cn1cccc1[C@H](CNC(=O)[*:1])[NH+]1CCOCC1
Cn1cccc1[C@H](CNC(=O)c1ccc(Br)o1)[NH+]1CCOCC1 Cn1cccc1[*:1] O=C(NC[C@H]([NH+]1CCOCC1)[*:1])c1ccc(Br)o1
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1 C#CC[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)C(=O)Nc1ccc(cc1)O[*:1]
C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1 C#CCO[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)C(=O)Nc1ccc(cc1)[*:1]
Fc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c(F)c1 Fc1ccc(N[*:1])c(F)c1 Fc1ccccc1-c1nnc(o1)[C@@H](c1ccccc1)[*:1]
Fc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c(F)c1 Fc1ccccc1[*:1] Fc1ccc(N[C@H](c2ccccc2)c2nnc(o2)[*:1])c(F)c1
Fc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c(F)c1 Fc1ccc(c(F)c1)[*:1] Fc1ccccc1-c1nnc(o1)[C@H](N[*:1])c1ccccc1
Fc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)c(F)c1 c1ccc(cc1)[*:1] Fc1ccc(N[C@H](c2nnc(o2)-c2ccccc2F)[*:1])c(F)c1
COCCCNC(=O)C(=O)NC[C@@H]1CCCO1 COCCC[*:1] O=C(NC[C@@H]1CCCO1)C(=O)N[*:1]
COCCCNC(=O)C(=O)NC[C@@H]1CCCO1 COCC[*:1] O=C(NC[C@@H]1CCCO1)C(=O)NC[*:1]
COCCCNC(=O)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COCCCNC(=O)C(=O)NC[*:1]
COCCCNC(=O)C(=O)NC[C@@H]1CCCO1 COC[*:1] O=C(NCC[*:1])C(=O)NC[C@@H]1CCCO1
CCn1cc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cn1 C[C@@H](S(C)(=O)=O)[*:1] CCn1cc(cn1)CN(C)[C@H](C)[*:1]
CCn1cc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cn1 CS(=O)(=O)[*:1] CCn1cc(cn1)CN(C)[C@H](C)[C@@H](C)[*:1]
CCC1CCC(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC1 CCC1CCC(CC1)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccccc1)N[*:1]
CCC1CCC(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] CCC1CCC(CC1)NC(=O)Cc1csc(n1)NC(=O)[*:1]
CCC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccccc2Cl)c1=O c1ccc(cc1)[*:1] CCC(=O)Nc1cc(nn(CC(=O)Nc2ccccc2Cl)c1=O)[*:1]
CCC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccccc2Cl)c1=O CCC(=O)N[*:1] O=C(Cn1nc(cc(c1=O)[*:1])-c1ccccc1)Nc1ccccc1Cl
CCC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccccc2Cl)c1=O Clc1ccccc1[*:1] CCC(=O)Nc1cc(nn(CC(=O)N[*:1])c1=O)-c1ccccc1
Cc1cc([C@H]2CCCN2C(=O)NC(C)C)no1 CC(C)[*:1] Cc1cc(no1)[C@H]1CCCN1C(=O)N[*:1]
COc1ccc(CN(C(=O)c2cccnc2)[C@@H]2CCCC[C@@H]2C)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)CN(C(=O)[*:1])[C@@H]1CCCC[C@@H]1C
CC(C)[C@H](C)NC(=O)CN1CC[NH+](Cc2ccon2)CC1 c1cc(C[*:1])no1 CC(C)[C@H](C)NC(=O)CN1CC[NH+](CC1)[*:1]
CC(C)[C@H](C)NC(=O)CN1CC[NH+](Cc2ccon2)CC1 CC(C)[*:1] C[C@H](NC(=O)CN1CC[NH+](CC1)Cc1ccon1)[*:1]
CC(C)[C@H](C)NC(=O)CN1CC[NH+](Cc2ccon2)CC1 CC(C)[C@H](C)[*:1] O=C(CN1CC[NH+](CC1)Cc1ccon1)N[*:1]
CC(C)[C@H](C)NC(=O)CN1CC[NH+](Cc2ccon2)CC1 c1cc(no1)[*:1] CC(C)[C@H](C)NC(=O)CN1CC[NH+](CC1)C[*:1]
CCN1C(=O)N[C@H](c2cccc(F)c2)C2=C1CN(CCC(=O)NCC(C)C)C2=O CC(C)CNC(=O)C[*:1] CCN1C(=O)N[C@@H](C2C(=O)N(CC=21)C[*:1])c1cccc(F)c1
CCN1C(=O)N[C@H](c2cccc(F)c2)C2=C1CN(CCC(=O)NCC(C)C)C2=O CC(C)CNC(=O)[*:1] CCN1C(=O)N[C@@H](C2C(=O)N(CC[*:1])CC=21)c1cccc(F)c1
CCN1C(=O)N[C@H](c2cccc(F)c2)C2=C1CN(CCC(=O)NCC(C)C)C2=O CC(C)[*:1] CCN1C(=O)N[C@@H](C2C(=O)N(CCC(=O)NC[*:1])CC=21)c1cccc(F)c1
CCN1C(=O)N[C@H](c2cccc(F)c2)C2=C1CN(CCC(=O)NCC(C)C)C2=O Fc1cccc(c1)[*:1] CCN1C(=O)N[C@H](C2C(=O)N(CCC(=O)NCC(C)C)CC=21)[*:1]
CCN1C(=O)N[C@H](c2cccc(F)c2)C2=C1CN(CCC(=O)NCC(C)C)C2=O CC(C)CNC(=O)CC[*:1] CCN1C(=O)N[C@@H](C2C(=O)N(CC=21)[*:1])c1cccc(F)c1
CCN1C(=O)N[C@H](c2cccc(F)c2)C2=C1CN(CCC(=O)NCC(C)C)C2=O CC(C)C[*:1] CCN1C(=O)N[C@@H](C2C(=O)N(CCC(=O)N[*:1])CC=21)c1cccc(F)c1
Cc1nn(C)c(NC[C@H](CCO)c2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)c(NC[C@H](CCO)c2ccccc2)c1[*:1]
Cc1nn(C)c(NC[C@H](CCO)c2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nn(C)c(NC[C@H](CCO)[*:1])c1[N+](=O)[O-]
Cc1nn(C)c(NC[C@H](CCO)c2ccccc2)c1[N+](=O)[O-] OCC[*:1] Cc1nn(C)c(NC[C@H](c2ccccc2)[*:1])c1[N+](=O)[O-]
CC[NH2+]Cc1ccccc1S(=O)(=O)NC1C(C)(C)C1(C)C CC1(C)C(C1(C)C)[*:1] CC[NH2+]Cc1ccccc1S(=O)(=O)N[*:1]
COCCN1C(N)=[NH+]C[C@@]1(C)c1cc(F)c(C)cc1F COCC[*:1] Cc1cc(F)c(cc1F)[C@]1(C)C[NH+]=C(N)N1[*:1]
COCCN1C(N)=[NH+]C[C@@]1(C)c1cc(F)c(C)cc1F COC[*:1] Cc1cc(F)c(cc1F)[C@]1(C)C[NH+]=C(N)N1C[*:1]
CCC[NH2+][C@@H](C[NH+](C)C)[C@H]1CCO[C@]2(CCSC2)C1 CCC[*:1] C[NH+](C)C[C@H]([NH2+][*:1])[C@H]1CCO[C@]2(CCSC2)C1
CCOCCN(C)C(=O)c1cc(C2CC2)nc(SC)c1C#N CCO[*:1] CSc1nc(cc(C(=O)N(C)CC[*:1])c1C#N)C1CC1
CCOCCN(C)C(=O)c1cc(C2CC2)nc(SC)c1C#N CCOC[*:1] CSc1nc(cc(C(=O)N(C)C[*:1])c1C#N)C1CC1
CCOCCN(C)C(=O)c1cc(C2CC2)nc(SC)c1C#N CCOCC[*:1] CSc1nc(cc(C(=O)N(C)[*:1])c1C#N)C1CC1
CCOCCN(C)C(=O)c1cc(C2CC2)nc(SC)c1C#N C1CC1[*:1] CCOCCN(C)C(=O)c1cc(nc(SC)c1C#N)[*:1]
CCOc1ccc(OCC(=O)N(C)CC)cc1 CCO[*:1] CCN(C)C(=O)COc1ccc(cc1)[*:1]
C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 Clc1ccccc1S[*:1] C[C@H](C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)[*:1]
C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 CS(=O)(=O)N[*:1] C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](C1)C[*:1]
C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 Clc1ccccc1[*:1] C[C@H](S[*:1])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1
C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 CS(=O)(=O)NC[*:1] C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(OC)cc3)=C2C)CC1 CCOC(=O)[*:1] COc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(OC)cc3)=C2C)CC1 COc1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)C1=NS(=O)(=O)C(=C1C)[*:1]
Cc1ccc(C(=O)CCC(=O)NCc2nc3ccccc3[nH]2)cc1 Cc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])NCc1nc2ccccc2[nH]1
CC[C@H](C)n1ccc(C[C@@]2(O)CSCCC2(C)C)n1 CC[C@H](C)[*:1] CC1(C)CCSC[C@]1(O)Cc1ccn(n1)[*:1]
Cc1ccc(CCC(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)o1 Cc1ccc(C[*:1])o1 CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[*:1]
Cc1ccc(CCC(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)o1 Cc1ccc(o1)[*:1] CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CC[*:1]
Cc1ccc(CCC(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)o1 Cc1ccc(CC[*:1])o1 CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[*:1]
Cc1ccc(CCC(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)o1 CS(=O)(=O)[*:1] Cc1ccc(CCC(=O)N2CCCc3cc(ccc32)[*:1])o1
CC(=O)N(Cc1ccco1)c1nc2c(C)c(Cl)ccc2s1 c1coc(c1)C[*:1] CC(=O)N(c1nc2c(C)c(Cl)ccc2s1)[*:1]
CC(=O)N(Cc1ccco1)c1nc2c(C)c(Cl)ccc2s1 c1coc(c1)[*:1] CC(=O)N(C[*:1])c1nc2c(C)c(Cl)ccc2s1
CC(C)C[C@@H](CCO)CNC(=O)[C@H]1COc2ccccc2O1 CC(C)C[*:1] O=C(NC[C@H](CCO)[*:1])[C@H]1COc2ccccc2O1
CC(C)C[C@@H](CCO)CNC(=O)[C@H]1COc2ccccc2O1 CC(C)[*:1] O=C(NC[C@H](CCO)C[*:1])[C@H]1COc2ccccc2O1
CC(C)C[C@@H](CCO)CNC(=O)[C@H]1COc2ccccc2O1 OCC[*:1] CC(C)C[C@@H](CNC(=O)[C@H]1COc2ccccc2O1)[*:1]
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)N[*:1]
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccccc1[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
Cc1csc(=O)n1CCC(=O)N1CCC(c2nc3ccccc3s2)CC1 Cc1csc(=O)n1[*:1] O=C(CC[*:1])N1CCC(CC1)c1nc2ccccc2s1
Cc1csc(=O)n1CCC(=O)N1CCC(c2nc3ccccc3s2)CC1 Cc1csc(=O)n1C[*:1] O=C(C[*:1])N1CCC(CC1)c1nc2ccccc2s1
CCc1ccsc1C(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])[*:1] CCc1ccsc1C(=O)N(C[*:1])C(C)(C)C
CCc1ccsc1C(=O)N(CC(=O)[O-])C(C)(C)C CC(C)(C)[*:1] CCc1ccsc1C(=O)N(CC(=O)[O-])[*:1]
CCc1ccsc1C(=O)N(CC(=O)[O-])C(C)(C)C O=C([O-])C[*:1] CCc1ccsc1C(=O)N(C(C)(C)C)[*:1]
C[NH+](C)CCC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[NH+](C)CCC1CC[NH+](CC=C[*:1])CC1
CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC=CCC2)c1 CN(C)S(=O)(=O)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CC=CCC1
C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(o1)[*:1]
CC(C)(C)OC(=O)[C@@H]1CSC(=O)N1 CC(C)(C)[*:1] O=C1N[C@@H](CS1)C(=O)O[*:1]
CCOc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1F CCO[*:1] Cc1nc(C)c(CCC(=O)Nc2ccc(c(F)c2)[*:1])c(=O)[nH]1
COc1ccccc1C1=Nn2c(nnc2-c2ccccc2OC)SC1 COc1ccccc1[*:1] COc1ccccc1-c1nnc2SCC(=Nn21)[*:1]
COc1ccccc1C1=Nn2c(nnc2-c2ccccc2OC)SC1 COc1ccccc1[*:1] COc1ccccc1C1CSc2nnc(n2N=1)[*:1]
C[C@@H](NC(=O)CCn1cnc2sccc2c1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCn1cnc2sccc2c1=O)[*:1]
O=C(c1ccccc1O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)CC1 Oc1ccccc1[*:1] O=C([C@H]1C[C@@H]1c1ccccc1F)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccccc1O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1ccccc1O)N1CCN(CC1)C(=O)[C@H]1C[C@H]1[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2Br)C1 Brc1ccccc1[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)CO[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2Br)C1 CCOC(=O)[*:1] O=C(COc1ccccc1Br)N1CCC[C@H](C1)[*:1]
Cc1c(C[NH2+]CCc2cccs2)cnn1C c1csc(c1)[*:1] Cc1c(cnn1C)C[NH2+]CC[*:1]
CC(C)(C)c1cc(NC(=O)C(=O)N2CCC[C@@H](C(F)(F)F)C2)no1 CC(C)(C)[*:1] O=C(Nc1cc(on1)[*:1])C(=O)N1CCC[C@H](C1)C(F)(F)F
CC(C)(C)c1cc(NC(=O)C(=O)N2CCC[C@@H](C(F)(F)F)C2)no1 FC(F)(F)[*:1] CC(C)(C)c1cc(no1)NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccc(Cl)cc1[*:1]
O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nc(-c3ccccc3)n[nH]2)C1=O Clc1ccc(cc1)[*:1] O=C1[C@@H](CCCCN1C(=O)[*:1])Sc1nc(n[nH]1)-c1ccccc1
O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nc(-c3ccccc3)n[nH]2)C1=O c1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nc(n[nH]2)[*:1])C1=O
Cc1ccc(C(=O)N(C)C)cc1NC(=O)CNC(=O)C1CCCC1 C1CCC(C1)[*:1] Cc1ccc(cc1NC(=O)CNC(=O)[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)CNC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 Cc1ccc(cc1NC(=O)C[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)CNC(=O)C1CCCC1 CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)CNC(=O)C1CCCC1)[*:1]
C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(-c2ccccc2)cs1 C=CC[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)N(c1nc(cs1)-c1ccccc1)[*:1]
C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C=CCN(C(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1nc(cs1)[*:1]
C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(-c2ccccc2)cs1 O=S(=O)(N1CCOCC1)[*:1] C=CCN(C(=O)c1cccc(c1)[*:1])c1nc(cs1)-c1ccccc1
COCC[C@H](C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 COC[*:1] C[C@@H](C[*:1])C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
COCC[C@H](C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 COCC[*:1] C[C@H](C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)[*:1]
COCC[C@H](C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] COCC[C@H](C)C(=O)N1CCN(CC1)C(c1ccccc1)[*:1]
CCN(CC)C(=O)C1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 O=[N+]([O-])[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)c1c(C)cc(C)c(c1C)[*:1]
CCN(CC)C(=O)C1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 CCN(CC)C(=O)[*:1] Cc1cc(C)c(c(C)c1C(=O)N1CCC(CC1)[*:1])[N+](=O)[O-]
O=C(CCn1ncc2c1CCCC2)N1CCN(c2nnc(C(F)(F)F)s2)CC1 FC(F)(F)[*:1] O=C(CCn1ncc2CCCCc21)N1CCN(CC1)c1nnc(s1)[*:1]
O=C(CCn1ncc2c1CCCC2)N1CCN(c2nnc(C(F)(F)F)s2)CC1 FC(F)(F)c1nnc(s1)[*:1] O=C(CCn1ncc2CCCCc21)N1CCN(CC1)[*:1]
O=C(CCn1ncc2c1CCCC2)N1CCN(c2nnc(C(F)(F)F)s2)CC1 c1nn(c2CCCCc12)[*:1] O=C(CC[*:1])N1CCN(CC1)c1nnc(s1)C(F)(F)F
O=S(=O)(/C=C/c1ccccc1)[N-]c1ccc(F)cc1Br c1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])[N-]c1ccc(F)cc1Br
Cc1nn(CC(=O)NC(C)C)c(=O)c2cc3occc3n12 CC(C)NC(=O)C[*:1] Cc1nn(c(=O)c2cc3occc3n12)[*:1]
Cc1nn(CC(=O)NC(C)C)c(=O)c2cc3occc3n12 CC(C)[*:1] Cc1nn(CC(=O)N[*:1])c(=O)c2cc3occc3n12
Cc1nn(CC(=O)NC(C)C)c(=O)c2cc3occc3n12 CC(C)NC(=O)[*:1] Cc1nn(C[*:1])c(=O)c2cc3occc3n12
CC[C@@H](NC(=O)NCCn1cccc1)c1cccs1 c1ccn(c1)C[*:1] CC[C@@H](NC(=O)NC[*:1])c1cccs1
CC[C@@H](NC(=O)NCCn1cccc1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)NCCn1cccc1)[*:1]
CC[C@@H](NC(=O)NCCn1cccc1)c1cccs1 c1ccn(c1)[*:1] CC[C@@H](NC(=O)NCC[*:1])c1cccs1
C=CCn1c(CCc2ccccc2)nnc1SCC c1ccc(cc1)[*:1] C=CCn1c(CC[*:1])nnc1SCC
C=CCn1c(CCc2ccccc2)nnc1SCC CCS[*:1] C=CCn1c(CCc2ccccc2)nnc1[*:1]
C=CCn1c(CCc2ccccc2)nnc1SCC C=CC[*:1] CCSc1nnc(CCc2ccccc2)n1[*:1]
CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc(S(C)(=O)=O)cc2)cc1 CC(C)(C)[*:1] CS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])cc1
CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)/C=C/c1ccc(cc1)[*:1]
Cc1ccc2c(c1)=C1S[C@H](C(=O)N(C)c3ccc(C)c(C)c3)C=C1C(=O)[NH+]=2 Cc1ccc(cc1C)[*:1] Cc1ccc2=[NH+]C(=O)C3=C[C@H](SC3=c2c1)C(=O)N(C)[*:1]
Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CC(=O)[O-])C3)CC2)cc1O O=C([O-])[*:1] Cc1ccc(cc1O)C(=O)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CC(=O)[O-])C3)CC2)cc1O O=C([O-])C[*:1] Cc1ccc(cc1O)C(=O)N1CCC2(CCC(=O)N(C2)[*:1])CC1
Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CC(=O)[O-])C3)CC2)cc1O Cc1ccc(cc1O)[*:1] O=C([O-])CN1CC2(CCC1=O)CCN(CC2)C(=O)[*:1]
COc1ccc(Cl)cc1C(=O)Nc1cc(N2C(=O)CCC2=O)ccc1C O=C1CCC(=O)N1[*:1] COc1ccc(Cl)cc1C(=O)Nc1cc(ccc1C)[*:1]
C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)N[*:1]
CCc1noc(CCCC(=O)N2CC=C(c3cccc(C)c3)CC2)n1 CCc1noc(n1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)CCC[*:1]
CCc1noc(CCCC(=O)N2CC=C(c3cccc(C)c3)CC2)n1 Cc1cccc(c1)[*:1] CCc1noc(CCCC(=O)N2CC=C(CC2)[*:1])n1
CCc1noc(CCCC(=O)N2CC=C(c3cccc(C)c3)CC2)n1 CCc1noc(C[*:1])n1 Cc1cccc(c1)C1=CCN(CC1)C(=O)CC[*:1]
CSc1nnc(S[C@@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)C(C)C)s1 CC(C)[*:1] CSc1nnc(S[C@@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)[*:1])s1
CSc1nnc(S[C@@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)C(C)C)s1 CSc1nnc(s1)[*:1] CC(C)[C@@H](S[*:1])C(=O)N1C[C@@H](C)C[C@@H](C)C1
CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 O=[N+]([O-])[*:1] CCn1cc(cn1)NC(=O)c1ccc(cc1Cl)[*:1]
CN(C)c1cccc(OCC(=O)N/N=C/c2ccc(N3CCCC3)cc2)c1 CN(C)[*:1] O=C(COc1cccc(c1)[*:1])N/N=C/c1ccc(cc1)N1CCCC1
CN(C)c1cccc(OCC(=O)N/N=C/c2ccc(N3CCCC3)cc2)c1 C1CCN(C1)[*:1] CN(C)c1cccc(c1)OCC(=O)N/N=C/c1ccc(cc1)[*:1]
CN(C)c1cccc(OCC(=O)N/N=C/c2ccc(N3CCCC3)cc2)c1 CN(C)c1cccc(c1)[*:1] O=C(CO[*:1])N/N=C/c1ccc(cc1)N1CCCC1
CN(CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ncnc2[nH]cnc12 c1nc(c2nc[nH]c2n1)[*:1] CN(CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[*:1]
CN(CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ncnc2[nH]cnc12 Fc1cccc(c1)[*:1] CN(CC(=O)NC[C@H]([NH+](C)C)[*:1])c1ncnc2[nH]cnc12
Cn1cc(C(=O)NC[C@@]2(O)CCCc3ccccc32)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)NC[C@@]2(O)CCCc3ccccc32)c(n1)[*:1]
CN(CC(=O)Nc1ccccc1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 c1ccc(cc1)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1c[nH]c2nccc(Cl)c12
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C)[C@@H]1c1ccccc1F Cc1nn(C)c(C)c1[*:1] CN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccccc1F
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C)[C@@H]1c1ccccc1F Fc1ccccc1[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C)[C@H]1[*:1]
C[C@H]([NH2+][C@H](C)c1ccoc1)c1nncn1C c1cc(co1)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1nncn1C
COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCC[C@H]2C)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)CSc1nnc(Cc2ccccc2)n1[*:1]
COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCC[C@H]2C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-n1c(C[*:1])nnc1SCC(=O)N1CCCC[C@H]1C
COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCC[C@H]2C)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)N1CCCC[C@H]1C
CCN(C(=O)CNc1cc(C(=O)OC)ccc1C)c1ccccc1 COC(=O)[*:1] CCN(C(=O)CNc1cc(ccc1C)[*:1])c1ccccc1
CCN(C(=O)CNc1cc(C(=O)OC)ccc1C)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CNc1cc(ccc1C)C(=O)OC)[*:1]
CCc1nc2cc(-c3noc(-c4ccco4)n3)ccc2o1 c1coc(c1)[*:1] CCc1nc2cc(ccc2o1)-c1noc(n1)[*:1]
O=C(CCN1CCn2c(nnc2C2CC2)C1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CCN1CCn2c(C1)nnc2C1CC1)N[*:1]
O=C(CCN1CCn2c(nnc2C2CC2)C1)NC1CCCC1 C1CC1[*:1] O=C(CCN1CCn2c(C1)nnc2[*:1])NC1CCCC1
COc1ccccc1[C@H](C[NH2+]C1CCCCC1)N(C)C CN(C)[*:1] COc1ccccc1[C@H](C[NH2+]C1CCCCC1)[*:1]
COc1ccccc1[C@H](C[NH2+]C1CCCCC1)N(C)C C1CCC(CC1)[*:1] COc1ccccc1[C@H](C[NH2+][*:1])N(C)C
CC(C)[C@@H]1N=N/C(=N/C(=O)CCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)S1 Clc1ccc(cc1)[*:1] CC(C)[C@@H]1N=N/C(=N/C(=O)CCC(=O)N2CCN(CC2)C[*:1])S1
CC(C)[C@@H]1N=N/C(=N/C(=O)CCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)S1 CC(C)[*:1] O=C(CCC(=O)N1CCN(CC1)Cc1ccc(Cl)cc1)/N=C1/N=N[C@H](S1)[*:1]
CC(C)[C@@H]1N=N/C(=N/C(=O)CCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)S1 Clc1ccc(cc1)C[*:1] CC(C)[C@@H]1N=N/C(=N/C(=O)CCC(=O)N2CCN(CC2)[*:1])S1
C[C@H]1CC(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)C[C@H](C)O1 O=C(N1CCCC1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccc(Cl)cc1[*:1]
CCOc1ccc(Br)cc1NC(=O)N1CCCSCC1 CCO[*:1] O=C(Nc1cc(Br)ccc1[*:1])N1CCCSCC1
Cc1cccc(CC(=O)Nc2[nH]nc(C)c2-c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)CC(=O)Nc1[nH]nc(C)c1[*:1]
Cc1cccc(CC(=O)Nc2[nH]nc(C)c2-c2cccc(Cl)c2)c1 Cc1cccc(c1)[*:1] Cc1n[nH]c(NC(=O)C[*:1])c1-c1cccc(Cl)c1
Cc1cccc(CC(=O)Nc2[nH]nc(C)c2-c2cccc(Cl)c2)c1 Cc1cccc(c1)C[*:1] Cc1n[nH]c(NC(=O)[*:1])c1-c1cccc(Cl)c1
COc1ccc(N2CCC[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)C2)nn1 c1ncn(C[*:1])n1 COc1ccc(nn1)N1CCC[C@@H](C1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(N2CCC[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)C2)nn1 COc1ccc(nn1)[*:1] O=C(Nc1ccc(cc1)Cn1cncn1)[C@H]1CCCN(C1)[*:1]
COc1ccc(N2CCC[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)C2)nn1 c1ncn(n1)[*:1] COc1ccc(nn1)N1CCC[C@@H](C1)C(=O)Nc1ccc(cc1)C[*:1]
Cc1nc2c(c(=O)[nH]1)CN(C(=O)[C@H](c1cccnc1)N1CCOCC1)C2 C1CN(CCO1)[*:1] Cc1nc2CN(Cc2c(=O)[nH]1)C(=O)[C@H](c1cccnc1)[*:1]
Cc1nc2c(c(=O)[nH]1)CN(C(=O)[C@H](c1cccnc1)N1CCOCC1)C2 c1cncc(c1)[*:1] Cc1nc2CN(Cc2c(=O)[nH]1)C(=O)[C@H](N1CCOCC1)[*:1]
COc1ccc(OCCN(C)C(=O)Nc2cccc(F)c2F)cc1 Fc1cccc(c1F)[*:1] COc1ccc(cc1)OCCN(C)C(=O)N[*:1]
COc1ccc(OCCN(C)C(=O)Nc2cccc(F)c2F)cc1 COc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)Nc1cccc(F)c1F
NC1=[NH+]C[C@H]([C@@H]2CCCOC2)N1c1cccc(Br)c1 C1COC[C@@H](C1)[*:1] NC1=[NH+]C[C@H](N1c1cccc(Br)c1)[*:1]
C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N1CCc2ccccc21 Fc1ccccc1[*:1] C[C@@H](Sc1nnc(N[*:1])s1)C(=O)N1CCc2ccccc21
C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N1CCc2ccccc21 Fc1ccccc1N[*:1] C[C@@H](Sc1nnc(s1)[*:1])C(=O)N1CCc2ccccc21
C#CCOc1ccc([C@@H]2NC(=O)[C@@H]3COCCN32)cc1OCC CCO[*:1] C#CCOc1ccc(cc1[*:1])[C@@H]1NC(=O)[C@@H]2COCCN21
C#CCOc1ccc([C@@H]2NC(=O)[C@@H]3COCCN32)cc1OCC C#CC[*:1] CCOc1cc(ccc1O[*:1])[C@@H]1NC(=O)[C@@H]2COCCN21
C#CCOc1ccc([C@@H]2NC(=O)[C@@H]3COCCN32)cc1OCC C#CCO[*:1] CCOc1cc(ccc1[*:1])[C@@H]1NC(=O)[C@@H]2COCCN21
CC(C)C(=O)C[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)C(=O)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)C[*:1]
CC(C)C(=O)C[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](CC(=O)[*:1])C1
CC(C)C(=O)C[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC(C)C(=O)C[C@@H]1CCC[C@H](C1)[*:1]
CC(=O)[C@H](C)S(=O)(=O)Cc1cc(C)cc(C)c1 CC(=O)[*:1] Cc1cc(C)cc(c1)CS(=O)(=O)[C@@H](C)[*:1]
CC(=O)[C@H](C)S(=O)(=O)Cc1cc(C)cc(C)c1 CC(=O)[C@H](C)[*:1] Cc1cc(C)cc(c1)CS(=O)(=O)[*:1]
COc1cc2c[nH]nc2cc1C(=O)[O-] O=C([O-])[*:1] COc1cc2c[nH]nc2cc1[*:1]
COC(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@H]3C2)ccn1 COC(=O)[*:1] O=C(c1ccnc(c1)[*:1])N1C[C@H]2CCC[C@@H]2C1
CS(=O)(=O)c1ccc([C@@H]2NCCc3[nH]c[nH+]c32)cc1 CS(=O)(=O)[*:1] c1[nH]c2CCN[C@@H](c3ccc(cc3)[*:1])c2[nH+]1
Cc1cc(C(=O)NCc2ccc[nH+]c2N2CCC[C@H](O)C2)nn1C Cc1cc(nn1C)[*:1] O=C(NCc1ccc[nH+]c1N1CCC[C@H](O)C1)[*:1]
O=C(c1ccc(C(F)(F)F)cc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F FC(F)(F)[*:1] O=C(c1ccc(cc1)[*:1])c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F
O=C(c1ccc(C(F)(F)F)cc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F c1ccc(cc1)[*:1] O=C(c1ccc(cc1)C(F)(F)F)c1nn(c(=O)cc1C(F)(F)F)[*:1]
O=C(c1ccc(C(F)(F)F)cc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F FC(F)(F)[*:1] O=C(c1ccc(cc1)C(F)(F)F)c1nn(-c2ccccc2)c(=O)cc1[*:1]
COc1ccccc1-c1ncc(-c2cn(C[C@H]3COCCO3)nn2)cn1 COc1ccccc1[*:1] c1nc(ncc1-c1cn(C[C@H]2COCCO2)nn1)[*:1]
CC(C)c1ccc(C(=O)c2ccc(Cl)nc2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)[*:1])c1ccc(Cl)nc1
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)c1cccs1 c1csc(c1)[*:1] C[C@@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)NC[C@@H](C)[*:1]
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)c1cccs1 C[C@@H](c1cccs1)[*:1] C[C@@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)NC[*:1]
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)c1cccs1 O=[N+]([O-])[*:1] C[C@@H](Sc1ccc(cc1)[*:1])C(=O)NC[C@@H](C)c1cccs1
CCn1c(CC2CC[NH2+]CC2)nn(CC(=O)Nc2cnccn2)c1=O c1cnc(cn1)[*:1] CCn1c(CC2CC[NH2+]CC2)nn(CC(=O)N[*:1])c1=O
Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)o1 Cc1ccc(o1)[*:1] O=C(NNC(=O)[*:1])[C@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F
Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)o1 FC(F)(F)[*:1] Cc1ccc(o1)C(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc(cc1)[*:1]
N#Cc1ccsc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 N#Cc1ccsc1[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1cccs1
N#Cc1ccsc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] N#Cc1ccsc1NC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1]
CC(C)[C@H](C(=O)N1CCC(CC(N)=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C(=O)N1CCC(CC1)CC(N)=O)[*:1]
CC(C)[C@H](C(=O)N1CCC(CC(N)=O)CC1)c1ccccc1 CC(C)[*:1] NC(=O)CC1CCN(CC1)C(=O)[C@H](c1ccccc1)[*:1]
CC(C)[C@H](C(=O)N1CCC(CC(N)=O)CC1)c1ccccc1 NC(=O)C[*:1] CC(C)[C@H](C(=O)N1CCC(CC1)[*:1])c1ccccc1
CC(C)[C@H](C(=O)N1CCC(CC(N)=O)CC1)c1ccccc1 NC(=O)[*:1] CC(C)[C@H](C(=O)N1CCC(CC1)C[*:1])c1ccccc1
CCCn1ccc2ccc(NC(=O)NC3CCC(O)CC3)cc21 CCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])NC1CCC(O)CC1
CCCn1ccc2ccc(NC(=O)NC3CCC(O)CC3)cc21 OC1CCC(CC1)[*:1] CCCn1ccc2ccc(cc21)NC(=O)N[*:1]
CCOC(=O)[C@@H](F)[C@]1(O)CCCCC1(C)C CCOC(=O)[*:1] CC1(C)CCCC[C@@]1(O)[C@H](F)[*:1]
COc1ccc(NC(=O)C[C@@H](CN2CCOCC2)C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)NC(=O)C[C@@H](CN1CCOCC1)[*:1]
COc1ccc(NC(=O)C[C@@H](CN2CCOCC2)C(=O)[O-])cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)NC(=O)C[C@@H](C[*:1])C(=O)[O-]
COc1ccc(NC(=O)C[C@@H](CN2CCOCC2)C(=O)[O-])cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)NC(=O)C[C@@H](C(=O)[O-])[*:1]
CC(C)NC(=O)N(C)c1ccc(OCCc2cnn(C)c2)cc1 Cn1cc(cn1)C[*:1] CC(C)NC(=O)N(C)c1ccc(cc1)OC[*:1]
CC(C)NC(=O)N(C)c1ccc(OCCc2cnn(C)c2)cc1 CC(C)[*:1] CN(C(=O)N[*:1])c1ccc(cc1)OCCc1cnn(C)c1
CC(C)NC(=O)N(C)c1ccc(OCCc2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] CC(C)NC(=O)N(C)c1ccc(cc1)OCC[*:1]
C[NH+]1CCN(C(C)(C)C(=O)NCc2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)NCc1cccc(c1)[*:1]
N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](CO)Cc1ccco1 c1coc(c1)[*:1] N#Cc1cc(ccc1NC[C@@H](CO)C[*:1])[N+](=O)[O-]
N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](CO)Cc1ccco1 O=[N+]([O-])[*:1] N#Cc1cc(ccc1NC[C@@H](CO)Cc1ccco1)[*:1]
N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](CO)Cc1ccco1 c1coc(c1)C[*:1] N#Cc1cc(ccc1NC[C@@H](CO)[*:1])[N+](=O)[O-]
COc1cc(C(C)=O)ccc1OCc1nc(-c2ccc(C#N)cn2)no1 CC(=O)[*:1] COc1cc(ccc1OCc1nc(no1)-c1ccc(C#N)cn1)[*:1]
COc1cc(C(C)=O)ccc1OCc1nc(-c2ccc(C#N)cn2)no1 N#Cc1ccc(nc1)[*:1] COc1cc(ccc1OCc1nc(no1)[*:1])C(C)=O
COc1cc(C(=O)N2CCC(C)CC2)ccc1OCc1c(C)noc1C Cc1noc(C)c1C[*:1] COc1cc(ccc1O[*:1])C(=O)N1CCC(C)CC1
COc1cc(C(=O)N2CCC(C)CC2)ccc1OCc1c(C)noc1C Cc1noc(C)c1[*:1] COc1cc(ccc1OC[*:1])C(=O)N1CCC(C)CC1
C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCOCC1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)c1cccc(F)c1)C(=O)N[*:1]
C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCOCC1)C(=O)Nc1cccc(Cl)c1 Fc1cccc(c1)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)[*:1])C(=O)Nc1cccc(Cl)c1
NC(=O)c1csc(CN2CC[C@@H](Oc3ccccc3Cl)C2)c1 NC(=O)[*:1] Clc1ccccc1O[C@@H]1CCN(Cc2cc(cs2)[*:1])C1
NC(=O)c1csc(CN2CC[C@@H](Oc3ccccc3Cl)C2)c1 Clc1ccccc1[*:1] NC(=O)c1csc(c1)CN1CC[C@H](C1)O[*:1]
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(Cl)c(-c3nnc4n3CCCCC4)c1)CS2 C1CCc2nnc(n2CC1)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1ccc(Cl)c(c1)[*:1]
COC[C@H]1CCN(C(=O)[C@H]2C=C[C@@H]([NH3+])C2)C1 COC[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N1CC[C@@H](C1)[*:1]
CCOc1ccc(NC(=O)C[NH+]2CCC(c3nnc(C(C)C)o3)CC2)cc1 CCOc1ccc(cc1)[*:1] CC(C)c1nnc(o1)C1CC[NH+](CC1)CC(=O)N[*:1]
CCOc1ccc(NC(=O)C[NH+]2CCC(c3nnc(C(C)C)o3)CC2)cc1 CC(C)c1nnc(o1)[*:1] CCOc1ccc(cc1)NC(=O)C[NH+]1CCC(CC1)[*:1]
CCOc1ccc(NC(=O)C[NH+]2CCC(c3nnc(C(C)C)o3)CC2)cc1 CCO[*:1] CC(C)c1nnc(o1)C1CC[NH+](CC1)CC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)C[NH+]2CCC(c3nnc(C(C)C)o3)CC2)cc1 CC(C)[*:1] CCOc1ccc(cc1)NC(=O)C[NH+]1CCC(CC1)c1nnc(o1)[*:1]
Cc1noc(C)c1[C@H](C)CC(=O)NCCSc1ccccc1F Fc1ccccc1[*:1] Cc1noc(C)c1[C@H](C)CC(=O)NCCS[*:1]
Cc1noc(C)c1[C@H](C)CC(=O)NCCSc1ccccc1F Cc1noc(C)c1[*:1] C[C@H](CC(=O)NCCSc1ccccc1F)[*:1]
Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC1(CO)COC1 Cc1ccsc1[*:1] OCC1(C[NH2+][C@H](Cc2ccccc2)[*:1])COC1
Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC1(CO)COC1 c1ccc(cc1)C[*:1] Cc1ccsc1[C@@H]([NH2+]CC1(CO)COC1)[*:1]
Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC1(CO)COC1 c1ccc(cc1)[*:1] Cc1ccsc1[C@@H](C[*:1])[NH2+]CC1(CO)COC1
Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC1(CO)COC1 OCC1(COC1)[*:1] Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[*:1]
C[C@@H](CCc1cccn1C)NC(=O)N1CCN(C(=O)c2ccncc2)CC1 Cn1cccc1C[*:1] C[C@@H](C[*:1])NC(=O)N1CCN(CC1)C(=O)c1ccncc1
C[C@@H](CCc1cccn1C)NC(=O)N1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] C[C@@H](CCc1cccn1C)NC(=O)N1CCN(CC1)C(=O)[*:1]
C[C@@H](CCc1cccn1C)NC(=O)N1CCN(C(=O)c2ccncc2)CC1 Cn1cccc1[*:1] C[C@@H](CC[*:1])NC(=O)N1CCN(CC1)C(=O)c1ccncc1
C[C@@H](CCc1cccn1C)NC(=O)N1CCN(C(=O)c2ccncc2)CC1 Cn1cccc1CC[*:1] C[C@@H](NC(=O)N1CCN(CC1)C(=O)c1ccncc1)[*:1]
CCOc1cccc2cc(-c3nnc(NC(=O)Cc4ccc(SC)cc4)o3)oc12 CCO[*:1] CSc1ccc(cc1)CC(=O)Nc1nnc(o1)-c1cc2cccc(c2o1)[*:1]
CCOc1cccc2cc(-c3nnc(NC(=O)Cc4ccc(SC)cc4)o3)oc12 CSc1ccc(cc1)[*:1] CCOc1cccc2cc(oc12)-c1nnc(NC(=O)C[*:1])o1
CCOc1cccc2cc(-c3nnc(NC(=O)Cc4ccc(SC)cc4)o3)oc12 CSc1ccc(cc1)C[*:1] CCOc1cccc2cc(oc12)-c1nnc(NC(=O)[*:1])o1
COc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(OC)cc1Cl Clc1cnn(c1)[*:1] COc1cc(NC(=O)c2ccc(C[*:1])o2)c(cc1Cl)OC
COc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(OC)cc1Cl Clc1cnn(c1)C[*:1] COc1cc(NC(=O)c2ccc(o2)[*:1])c(cc1Cl)OC
O=[N+]([O-])c1ccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCCC3)cc1 O=[N+]([O-])[*:1] O[C@@]1(CN(C2CCCCC[N+]=21)c1ccc(Br)cc1)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCCC3)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O[C@]1(CN(C2CCCCC[N+]=21)c1ccc(Br)cc1)[*:1]
O=[N+]([O-])c1ccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCCC3)cc1 Brc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)[C@@]1(O)CN(C2CCCCC[N+]=21)[*:1]
C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)CN3CCOCC3)CC2)C1 C1CN(CCO1)[*:1] C[C@H]1CC[C@H](C1)[NH+]1CCN(CC1)C(=O)C[*:1]
C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)CN3CCOCC3)CC2)C1 C1CN(CCO1)C[*:1] C[C@H]1CC[C@H](C1)[NH+]1CCN(CC1)C(=O)[*:1]
C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(Cl)cc2[*:1])C1
Cc1cccnc1NC(=O)N[C@@H](C)CN1CCOCC1 C1CN(CCO1)[*:1] Cc1cccnc1NC(=O)N[C@@H](C)C[*:1]
CCCOc1cccc(CNC(=O)C[NH+]2CCCN(C(C)=O)CC2)c1 CCC[*:1] CC(=O)N1CCC[NH+](CC1)CC(=O)NCc1cccc(c1)O[*:1]
CCCOc1cccc(CNC(=O)C[NH+]2CCCN(C(C)=O)CC2)c1 CCCO[*:1] CC(=O)N1CCC[NH+](CC1)CC(=O)NCc1cccc(c1)[*:1]
N#C[C@@]1([C@H](O)c2ccc(OC(F)(F)F)cc2)CCOC1 FC(F)(F)O[*:1] N#C[C@]1(CCOC1)[C@H](O)c1ccc(cc1)[*:1]
N#C[C@@]1([C@H](O)c2ccc(OC(F)(F)F)cc2)CCOC1 FC(F)(F)[*:1] N#C[C@]1(CCOC1)[C@H](O)c1ccc(cc1)O[*:1]
COc1ccc(OC(=O)c2ccc3c(c2)NC(=O)CCN3C)cc1 COc1ccc(cc1)[*:1] CN1CCC(=O)Nc2cc(ccc21)C(=O)O[*:1]
O=C(OCc1csc(-c2ccccc2)n1)c1cccnc1N1CCCC1 C1CCN(C1)[*:1] O=C(OCc1csc(n1)-c1ccccc1)c1cccnc1[*:1]
O=C(OCc1csc(-c2ccccc2)n1)c1cccnc1N1CCCC1 c1ccc(cc1)[*:1] O=C(OCc1csc(n1)[*:1])c1cccnc1N1CCCC1
Cn1nc(C(=O)N2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)ccc1=O c1ccc(cc1)[*:1] Cn1nc(ccc1=O)C(=O)N1CCC(CC1)[C@H]1CCCCN(CC[*:1])C1=O
Cn1nc(C(=O)N2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)ccc1=O Cn1nc(ccc1=O)[*:1] O=C1[C@H](CCCCN1CCc1ccccc1)C1CCN(CC1)C(=O)[*:1]
Cn1nc(C(=O)N2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)ccc1=O c1ccc(cc1)C[*:1] Cn1nc(ccc1=O)C(=O)N1CCC(CC1)[C@H]1CCCCN(C[*:1])C1=O
Cn1nc(C(=O)N2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)ccc1=O c1ccc(cc1)CC[*:1] Cn1nc(ccc1=O)C(=O)N1CCC(CC1)[C@H]1CCCCN(C1=O)[*:1]
O=C(N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1)C1=CC2=CC=N[C@@H]2C=C1 Fc1cccc(c1)C[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])C1C=C[C@H]2N=CC=C2C=1
O=C(N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1)C1=CC2=CC=N[C@@H]2C=C1 Fc1cccc(c1)[*:1] O=C(N[C@H]1CC(=O)N(C1)C[*:1])C1C=C[C@H]2N=CC=C2C=1
Cc1cc(N2CCC(C)CC2)n2nc(-c3cccnc3)nc2n1 c1cncc(c1)[*:1] Cc1cc(N2CCC(C)CC2)n2nc(nc2n1)[*:1]
Cc1cc(N2CCC(C)CC2)n2nc(-c3cccnc3)nc2n1 CC1CCN(CC1)[*:1] Cc1cc(n2nc(nc2n1)-c1cccnc1)[*:1]
Cc1csc(N2CCC([NH2+]CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 Cc1csc(n1)[*:1] O=[N+]([O-])c1ccc(cc1)OCC[NH2+]C1CCN(CC1)[*:1]
Cc1csc(N2CCC([NH2+]CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 O=[N+]([O-])[*:1] Cc1csc(n1)N1CCC(CC1)[NH2+]CCOc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3C[C@H](O)c3ccccc3)ccc2c1 O[C@H](c1ccccc1)[*:1] O=[N+]([O-])c1ccc2nc(ccc2c1)N1CCC[C@H]1C[*:1]
O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3C[C@H](O)c3ccccc3)ccc2c1 O[C@@H](C[*:1])c1ccccc1 O=[N+]([O-])c1ccc2nc(ccc2c1)N1CCC[C@@H]1[*:1]
O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3C[C@H](O)c3ccccc3)ccc2c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc2nc(ccc2c1)N1CCC[C@H]1C[C@H](O)[*:1]
O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3C[C@H](O)c3ccccc3)ccc2c1 O=[N+]([O-])[*:1] O[C@@H](C[C@@H]1CCCN1c1ccc2cc(ccc2n1)[*:1])c1ccccc1
COC(=O)CCC(=O)Nc1cccc(N(C)C(C)=O)c1 CC(=O)N(C)[*:1] COC(=O)CCC(=O)Nc1cccc(c1)[*:1]
COC(=O)CCC(=O)Nc1cccc(N(C)C(C)=O)c1 COC(=O)CC[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)[*:1]
COC(=O)CCC(=O)Nc1cccc(N(C)C(C)=O)c1 COC(=O)C[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)C[*:1]
COC(=O)CCC(=O)Nc1cccc(N(C)C(C)=O)c1 COC(=O)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)CC[*:1]
COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N(Cc1cccnc1)c1ccc(F)cc1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccc(F)cc1
COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)S(=O)(=O)N(c1ccc(F)cc1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[*:1]
COc1ccc([C@@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)c2c[nH]c3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@@H](c1c[nH]c2ccccc12)[*:1]
COc1ccc([C@@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)c2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)CN1C(=O)NC2(CCCC2)C1=O)[*:1]
C[C@H]1CN(C(=O)CCOCc2ccccc2)C(C)(C)CO1 c1ccc(cc1)[*:1] C[C@H]1CN(C(=O)CCOC[*:1])C(C)(C)CO1
C[C@H]1CN(C(=O)CCOCc2ccccc2)C(C)(C)CO1 c1ccc(cc1)C[*:1] C[C@H]1CN(C(=O)CCO[*:1])C(C)(C)CO1
CCC[C@@H]1C[C@@H]1NC(=O)COc1cc(F)ccc1F CCC[*:1] O=C(COc1cc(F)ccc1F)N[C@H]1C[C@H]1[*:1]
C=CCOc1ccc(C[NH2+]C2CCC(O)CC2)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])C[NH2+]C1CCC(O)CC1
C=CCOc1ccc(C[NH2+]C2CCC(O)CC2)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])C[NH2+]C1CCC(O)CC1
Cn1cc(CCC[NH+](C)Cc2cc3n(n2)CCC[NH+](C)C3)cn1 Cn1cc(cn1)[*:1] C[NH+](CCC[*:1])Cc1cc2C[NH+](C)CCCn2n1
Cn1cc(CCC[NH+](C)Cc2cc3n(n2)CCC[NH+](C)C3)cn1 Cn1cc(cn1)C[*:1] C[NH+](CC[*:1])Cc1cc2C[NH+](C)CCCn2n1
Cc1cc(C)cc(CSc2cc([C@@H](C)O)ccn2)c1 C[C@@H](O)[*:1] Cc1cc(C)cc(c1)CSc1cc(ccn1)[*:1]
Cc1ccn(CCC(=O)N2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)n1 Cc1ccn(n1)[*:1] O=C(CC[*:1])N1CCC(=O)N(CC1)Cc1cccc(c1)C(F)(F)F
Cc1ccn(CCC(=O)N2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)n1 FC(F)(F)[*:1] Cc1ccn(CCC(=O)N2CCC(=O)N(CC2)Cc2cccc(c2)[*:1])n1
Cc1ccn(CCC(=O)N2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)n1 Cc1ccn(CC[*:1])n1 O=C1CCN(CCN1Cc1cccc(c1)C(F)(F)F)C(=O)[*:1]
Cc1ccn(CCC(=O)N2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)n1 Cc1ccn(C[*:1])n1 O=C(C[*:1])N1CCC(=O)N(CC1)Cc1cccc(c1)C(F)(F)F
COCCSCC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 COC[*:1] Cc1cc(NC(=O)CSC[*:1])n(n1)-c1ccc(F)cc1
COCCSCC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 COCCSC[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ccc(F)cc1
COCCSCC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 COCC[*:1] Cc1cc(NC(=O)CS[*:1])n(n1)-c1ccc(F)cc1
COCCSCC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 COCCS[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1ccc(F)cc1
COCCSCC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCCSCC(=O)Nc1cc(C)nn1[*:1]
COCCCN(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O COC[*:1] CN(CC[*:1])C(=O)Cn1nc(ccc1=O)-c1ccccc1
COCCCN(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] COCCCN(C)C(=O)Cn1nc(ccc1=O)[*:1]
COCCCN(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O COCC[*:1] CN(C[*:1])C(=O)Cn1nc(ccc1=O)-c1ccccc1
COCCCN(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O COCCC[*:1] CN(C(=O)Cn1nc(ccc1=O)-c1ccccc1)[*:1]
Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)N1CCN(CC1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(c1)NC(=O)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 C[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 c1ccc(nc1)[*:1] C[C@@H](N(C)C(=O)Nc1cccc(c1)NC(=O)c1cccs1)[*:1]
O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccncc1Cl Clc1cnccc1[*:1] O=C(Nc1ccc2cc(ccc2n1)[N+](=O)[O-])[*:1]
O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccncc1Cl O=[N+]([O-])[*:1] O=C(Nc1ccc2cc(ccc2n1)[*:1])c1ccncc1Cl
COc1ccc(-n2cc(CNC(=O)/C=C/c3csc(C)n3)nn2)cc1 COc1ccc(cc1)[*:1] Cc1nc(/C=C/C(=O)NCc2cn(nn2)[*:1])cs1
COc1ccc(-n2cc(CNC(=O)/C=C/c3csc(C)n3)nn2)cc1 Cc1nc(C=C[*:1])cs1 COc1ccc(cc1)-n1cc(CNC(=O)[*:1])nn1
COc1ccc(-n2cc(CNC(=O)/C=C/c3csc(C)n3)nn2)cc1 Cc1nc(cs1)[*:1] COc1ccc(cc1)-n1cc(CNC(=O)C=C[*:1])nn1
CO[C@]1(C)C[C@H]([NH2+]CCCCn2cnnc2)C1(C)C c1nncn1[*:1] CO[C@]1(C)C[C@H]([NH2+]CCCC[*:1])C1(C)C
CO[C@]1(C)C[C@H]([NH2+]CCCCn2cnnc2)C1(C)C c1nncn1C[*:1] CO[C@]1(C)C[C@H]([NH2+]CCC[*:1])C1(C)C
C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1cc(Cl)ccc1N1CCSCC1 C1CN(CCS1)[*:1] C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1cc(Cl)ccc1[*:1]
C[C@H](C(N)=O)N1CC[NH+](CCCOc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] C[C@H](C(N)=O)N1CC[NH+](CCCO[*:1])CC1
C[C@H](C(N)=O)N1CC[NH+](CCCOc2cccc(Cl)c2)CC1 NC(=O)[*:1] C[C@H](N1CC[NH+](CCCOc2cccc(Cl)c2)CC1)[*:1]
C[C@H](C(N)=O)N1CC[NH+](CCCOc2cccc(Cl)c2)CC1 C[C@H](C(N)=O)[*:1] Clc1cccc(c1)OCCC[NH+]1CCN(CC1)[*:1]
O=C([O-])c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O O=C([O-])[*:1] O=c1c(cc(Cl)cn1Cc1ccc(Cl)cc1)[*:1]
COc1ccccc1C1=NO[C@@H](Cn2c(NCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)C1 c1ccc(cc1)C[*:1] COc1ccccc1C1C[C@H](Cn2c(nc3c2c(=O)n(C)c(=O)n3C)N[*:1])ON=1
COc1ccccc1C1=NO[C@@H](Cn2c(NCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)C1 c1ccc(cc1)CN[*:1] COc1ccccc1C1C[C@H](Cn2c(nc3c2c(=O)n(C)c(=O)n3C)[*:1])ON=1
COc1ccccc1C1=NO[C@@H](Cn2c(NCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)C1 c1ccc(cc1)[*:1] COc1ccccc1C1C[C@H](Cn2c(nc3c2c(=O)n(C)c(=O)n3C)NC[*:1])ON=1
COc1ccccc1C1=NO[C@@H](Cn2c(NCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)C1 COc1ccccc1[*:1] Cn1c(=O)c2c(nc(NCc3ccccc3)n2C[C@H]2CC(=NO2)[*:1])n(C)c1=O
Cn1c(CN2CCC[C@H]2c2noc(C3CC3)n2)nnc1C1CC1 C1CC1[*:1] Cn1c(CN2CCC[C@H]2c2noc(n2)C2CC2)nnc1[*:1]
Cn1c(CN2CCC[C@H]2c2noc(C3CC3)n2)nnc1C1CC1 C1CC1[*:1] Cn1c(CN2CCC[C@H]2c2noc(n2)[*:1])nnc1C1CC1
CCc1nc(CC(=O)N(C)[C@@H](C)Cc2ccc(OC)cc2)cs1 CCc1nc(cs1)[*:1] COc1ccc(cc1)C[C@H](C)N(C)C(=O)C[*:1]
CCOC(=O)N1CCN(C(=O)c2cc(NC(C)=O)cc3nc(-c4ccccc4F)n(CC)c23)CC1 Fc1ccccc1[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cc(cc2nc(n(CC)c12)[*:1])NC(C)=O
CCOC(=O)N1CCN(C(=O)c2cc(NC(C)=O)cc3nc(-c4ccccc4F)n(CC)c23)CC1 CC(=O)N[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cc(cc2nc(-c3ccccc3F)n(CC)c12)[*:1]
Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(Cl)c2)cc1C Cc1ccc(cc1C)[*:1] O=C(CCN(Cc1cccc(Cl)c1)S(=O)(=O)[*:1])N1CCNCC1
Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(Cl)c2)cc1C Clc1cccc(c1)C[*:1] Cc1ccc(cc1C)S(=O)(=O)N(CCC(=O)N1CCNCC1)[*:1]
Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(Cl)c2)cc1C Clc1cccc(c1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N(CCC(=O)N1CCNCC1)C[*:1]
Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(Cl)c2)cc1C O=C(CC[*:1])N1CCNCC1 Cc1ccc(cc1C)S(=O)(=O)N(Cc1cccc(Cl)c1)[*:1]
Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(Cl)c2)cc1C O=C(C[*:1])N1CCNCC1 Cc1ccc(cc1C)S(=O)(=O)N(Cc1cccc(Cl)c1)C[*:1]
Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(Cl)c2)cc1C O=C(N1CCNCC1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N(CC[*:1])Cc1cccc(Cl)c1
O=C(Cc1ccc2ccccc2c1)NC[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cc1ccc2ccccc2c1)NC[C@H](O)[*:1]
CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 CC(C)(C)[*:1] CCCCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)O[*:1]
CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 CCC[*:1] CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C[*:1]
CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 CCCC[*:1] CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cn1nc(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)n(C2CC2)c1=O N#Cc1ccc(cc1)[*:1] Cn1nc(C2CCN(CC2)C(=O)[*:1])n(c1=O)C1CC1
Cn1nc(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)n(C2CC2)c1=O C1CC1[*:1] Cn1nc(C2CCN(CC2)C(=O)c2ccc(C#N)cc2)n(c1=O)[*:1]
Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CC(=O)N3CCC[C@H](C)C3)c(=O)c12 Clc1ccc(cc1)[*:1] Cc1c(sc2ncn(CC(=O)N3CCC[C@H](C)C3)c(=O)c12)-c1nc(no1)[*:1]
COCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1 COC[*:1] O=C([O-])[C@@H]1CCC(=O)N(CC[*:1])[C@H]1c1ccc(F)cc1
COCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1[*:1]
COCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1 COCCC[*:1] O=C([O-])[C@@H]1CCC(=O)N([C@H]1c1ccc(F)cc1)[*:1]
COCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1 O=C([O-])[*:1] COCCCN1C(=O)CC[C@@H]([C@@H]1c1ccc(F)cc1)[*:1]
COCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1 COCC[*:1] O=C([O-])[C@@H]1CCC(=O)N(C[*:1])[C@H]1c1ccc(F)cc1
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(S(C)(=O)=O)c1 COC(=O)[*:1] COc1cc(NC(=O)c2cccc(c2)S(C)(=O)=O)c(cc1OC)[*:1]
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] COC(=O)c1cc(OC)c(cc1NC(=O)c1cccc(c1)[*:1])OC
C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](C(N)=O)c2ccccc21 NC(=O)[*:1] C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](c2ccccc21)[*:1]
C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](C(N)=O)c2ccccc21 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CC[C@H](C(N)=O)c2ccccc21
C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](C(N)=O)c2ccccc21 c1ccc(cc1)O[*:1] C[C@H](C(=O)N1CC[C@H](C(N)=O)c2ccccc21)[*:1]
CC(=O)c1sc(-c2ccc(C)n2C)nc1C CC(=O)[*:1] Cc1nc(sc1[*:1])-c1ccc(C)n1C
O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C(Nc1cccc(c1)-c1nnn[n-]1)c1ccc(cc1)[*:1]
O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] O=C(Nc1cccc(c1)-c1nnn[n-]1)c1ccc(cc1)NC(=O)[*:1]
CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Cc2cccc(F)c2F)C1 Fc1cccc(c1F)[*:1] CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C1)C(=O)C[*:1]
CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Cc2cccc(F)c2F)C1 CC(C)(C)[*:1] CN(C(=O)O[*:1])[C@@H]1CCN(C1)C(=O)Cc1cccc(F)c1F
CCOc1ccc(Oc2ccccc2NC(=O)[C@@H](C)NC(C)=O)cc1 CC(=O)N[*:1] CCOc1ccc(cc1)Oc1ccccc1NC(=O)[C@@H](C)[*:1]
CCOc1ccc(Oc2ccccc2NC(=O)[C@@H](C)NC(C)=O)cc1 CCO[*:1] CC(=O)N[C@H](C)C(=O)Nc1ccccc1Oc1ccc(cc1)[*:1]
O=C(CS(=O)(=O)Cc1ccon1)Nc1ccc(Br)cc1 c1cc(no1)[*:1] O=C(CS(=O)(=O)C[*:1])Nc1ccc(Br)cc1
O=C(CS(=O)(=O)Cc1ccon1)Nc1ccc(Br)cc1 c1cc(C[*:1])no1 O=C(CS(=O)(=O)[*:1])Nc1ccc(Br)cc1
O=S(=O)(Nc1ccc(Br)c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(Br)c2ccccc12)[*:1]
Cc1cnc(C(=O)/N=c2\[nH]c3ccccc3n2C(C)(C)C)cn1 Cc1cnc(cn1)[*:1] CC(C)(C)n1/c(=N/C(=O)[*:1])[nH]c2ccccc21
Cc1cnc(C(=O)/N=c2\[nH]c3ccccc3n2C(C)(C)C)cn1 CC(C)(C)[*:1] Cc1cnc(cn1)C(=O)/N=c1\[nH]c2ccccc2n1[*:1]
CCOC(=O)C1(C(=O)O[C@@H](C)c2nc3ccccc3s2)CC1 CCOC(=O)[*:1] C[C@H](OC(=O)C1(CC1)[*:1])c1nc2ccccc2s1
CCn1c(C(C)C)nc2ccc(Cl)cc21 CC(C)[*:1] CCn1c(nc2ccc(Cl)cc21)[*:1]
Nc1nc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] Nc1nc(C[NH+]2CCN(CC2)c2ccc(Cl)cc2)nc(n1)[*:1]
Nc1nc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)nc(N2CCOCC2)n1 Clc1ccc(cc1)[*:1] Nc1nc(C[NH+]2CCN(CC2)[*:1])nc(n1)N1CCOCC1
N#CCNC(=O)CN1C(=O)CCCc2cc(N)ccc21 N#CCNC(=O)[*:1] Nc1ccc2c(c1)CCCC(=O)N2C[*:1]
N#CCNC(=O)CN1C(=O)CCCc2cc(N)ccc21 N#CC[*:1] Nc1ccc2c(c1)CCCC(=O)N2CC(=O)N[*:1]
COc1ccc(F)cc1NC(=O)CSc1ccncc1 c1cc(ccn1)[*:1] COc1ccc(F)cc1NC(=O)CS[*:1]
Cc1ccc(C(=O)N[C@H](C)COc2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](COc1ccc(Cl)cc1)NC(=O)[*:1]
Cc1ccc(C(=O)N[C@H](C)COc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N[C@H](C)CO[*:1]
C=CCN(CC=C)C(=O)CSc1nc([O-])c2c(C)cc(C)nc2n1 C=CC[*:1] C=CCN(C(=O)CSc1nc([O-])c2c(C)cc(C)nc2n1)[*:1]
O=[N+]([O-])c1ccc(N/N=C/c2cccnc2)c(C(F)(F)F)c1 c1cncc(c1)[*:1] O=[N+]([O-])c1ccc(NN=C[*:1])c(c1)C(F)(F)F
O=[N+]([O-])c1ccc(N/N=C/c2cccnc2)c(C(F)(F)F)c1 O=[N+]([O-])[*:1] FC(F)(F)c1cc(ccc1N/N=C/c1cccnc1)[*:1]
O=[N+]([O-])c1ccc(N/N=C/c2cccnc2)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=[N+]([O-])c1ccc(N/N=C/c2cccnc2)c(c1)[*:1]
Nc1cnc(Cl)c(C(=O)[O-])c1 O=C([O-])[*:1] Nc1cnc(Cl)c(c1)[*:1]
O=C(COc1ccccc1F)Nc1cccc(S(=O)(=O)N2CCCC2)c1 Fc1ccccc1[*:1] O=C(CO[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCC1
O=C(COc1ccccc1F)Nc1cccc(S(=O)(=O)N2CCCC2)c1 Fc1ccccc1O[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCC1
O=C(COc1ccccc1F)Nc1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(COc1ccccc1F)Nc1cccc(c1)[*:1]
O=C(NCCc1cn2ccccc2n1)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] O=C(NCCc1cn2ccccc2n1)NCc1ccnc(c1)O[*:1]
O=C(NCCc1cn2ccccc2n1)NCc1ccnc(OC2CCC2)c1 c1ccn2cc(nc2c1)[*:1] O=C(NCC[*:1])NCc1ccnc(c1)OC1CCC1
O=C(NCCc1cn2ccccc2n1)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] O=C(NCCc1cn2ccccc2n1)NCc1ccnc(c1)[*:1]
O=[N+]([O-])c1ccc(Cl)c(-c2cc(Cl)ncn2)c1 O=[N+]([O-])[*:1] Clc1cc(ncn1)-c1cc(ccc1Cl)[*:1]
CCC(C)(C)OCCC(=O)N(C)CCC#N CCC(C)(C)[*:1] CN(CCC#N)C(=O)CCO[*:1]
CCC(C)(C)OCCC(=O)N(C)CCC#N N#CC[*:1] CCC(C)(C)OCCC(=O)N(C)C[*:1]
CCC(C)(C)OCCC(=O)N(C)CCC#N N#CCC[*:1] CCC(C)(C)OCCC(=O)N(C)[*:1]
Cn1nccc1CN1CCc2c(Br)cccc2C1 Cn1nccc1[*:1] Brc1cccc2CN(CCc12)C[*:1]
CCNc1nc(-c2cc(C)ccc2C)c(C)s1 CCN[*:1] Cc1ccc(C)c(c1)-c1nc(sc1C)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)C[NH+](C)Cc3ccc(C)o3)CC2)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C[NH+](C)C[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)C[NH+](C)Cc3ccc(C)o3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C[NH+](C)CC(=O)N2CCN(CC2)C(=O)[*:1])o1
Cc1ccc(-c2cc(C(=O)NCCc3c(F)cccc3Cl)[nH]n2)s1 Cc1ccc(s1)[*:1] O=C(NCCc1c(F)cccc1Cl)c1cc(n[nH]1)[*:1]
Cc1ccc(-c2cc(C(=O)NCCc3c(F)cccc3Cl)[nH]n2)s1 Fc1cccc(Cl)c1[*:1] Cc1ccc(s1)-c1cc([nH]n1)C(=O)NCC[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N(C)C1CCC1 C1CC(C1)[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)N(C)[*:1]
CO[C@H](C)c1ncc(C=O)cn1 CO[C@H](C)[*:1] O=Cc1cnc(nc1)[*:1]
CCCCS(=O)(=O)N[C@@H](CC)C(=O)N1CCOCC1 CCCC[*:1] CC[C@H](NS(=O)(=O)[*:1])C(=O)N1CCOCC1
CCCCS(=O)(=O)N[C@@H](CC)C(=O)N1CCOCC1 CCC[*:1] CC[C@H](NS(=O)(=O)C[*:1])C(=O)N1CCOCC1
Cc1ccc(NC(=O)N(C)C[C@@H]2CCCO2)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)N(C)C[C@@H]1CCCO1
Cc1ccc(NC(=O)N(C)C[C@@H]2CCCO2)cc1C(F)(F)F C1CO[C@@H](C1)[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)N(C)C[*:1]
Cc1ccc(NC(=O)N(C)C[C@@H]2CCCO2)cc1C(F)(F)F C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)N(C)[*:1]
C[NH2+]C[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[NH2+]C[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)n1 Cc1cc(C)n(C[*:1])n1 NC(=O)N1CCC[C@@H](C1)C(=O)N1CCCC[C@H]1[*:1]
Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)n1 Cc1cc(C)n(n1)[*:1] NC(=O)N1CCC[C@@H](C1)C(=O)N1CCCC[C@H]1C[*:1]
COc1ccccc1-c1noc(CCC(=O)Nc2ccccc2F)n1 COc1ccccc1[*:1] O=C(CCc1nc(no1)[*:1])Nc1ccccc1F
COc1ccccc1-c1noc(CCC(=O)Nc2ccccc2F)n1 Fc1ccccc1[*:1] COc1ccccc1-c1noc(CCC(=O)N[*:1])n1
Cc1cccc2c1N[C@H](c1ccc([N+](=O)[O-])o1)NC2=O O=[N+]([O-])[*:1] Cc1cccc2C(=O)N[C@H](Nc12)c1ccc(o1)[*:1]
CC(C)(CCS(C)(=O)=O)CNC(=O)Cc1ccc(F)cc1F CS(=O)(=O)C[*:1] CC(C)(CNC(=O)Cc1ccc(F)cc1F)C[*:1]
CC(C)(CCS(C)(=O)=O)CNC(=O)Cc1ccc(F)cc1F CS(=O)(=O)CC[*:1] CC(C)(CNC(=O)Cc1ccc(F)cc1F)[*:1]
CC(C)(CCS(C)(=O)=O)CNC(=O)Cc1ccc(F)cc1F CS(=O)(=O)[*:1] CC(C)(CC[*:1])CNC(=O)Cc1ccc(F)cc1F
CCCN(CCC)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 CCC[*:1] CCCN(C(=O)[C@@H](C)c1cccc(c1)[N+](=O)[O-])[*:1]
CCCN(CCC)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCCN(CCC)C(=O)[C@@H](C)c1cccc(c1)[*:1]
CNC(=O)Nc1cccc(NC(=O)[C@@H](C)CCOC)c1 COCC[*:1] CNC(=O)Nc1cccc(c1)NC(=O)[C@@H](C)[*:1]
CNC(=O)Nc1cccc(NC(=O)[C@@H](C)CCOC)c1 CNC(=O)N[*:1] COCC[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CNC(=O)Nc1cccc(NC(=O)[C@@H](C)CCOC)c1 COC[*:1] CNC(=O)Nc1cccc(c1)NC(=O)[C@@H](C)C[*:1]
CNC(=O)Nc1cccc(NC(=O)[C@@H](C)CCOC)c1 COCC[C@H](C)[*:1] CNC(=O)Nc1cccc(c1)NC(=O)[*:1]
C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(cc1)O[*:1]
C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(OCc2cccnc2)cc1 c1cncc(c1)CO[*:1] C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(cc1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(cc1)OC[*:1]
CCOC(=O)[C@@H](C)n1nc(CC)n2c(cc3ccsc32)c1=O CCOC(=O)[*:1] CCc1nn(c(=O)c2cc3ccsc3n12)[C@H](C)[*:1]
CCOC(=O)[C@@H](C)n1nc(CC)n2c(cc3ccsc32)c1=O CCOC(=O)[C@@H](C)[*:1] CCc1nn(c(=O)c2cc3ccsc3n12)[*:1]
CC(C)[NH2+]CC1=C[C@@H](c2ccccc2)[NH+]=N1 CC(C)[*:1] C1=C(C[NH2+][*:1])N=[NH+][C@@H]1c1ccccc1
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(OCC(N)=O)c1 NC(=O)[*:1] CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(c1)OC[*:1]
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(OCC(N)=O)c1 NC(=O)CO[*:1] CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(c1)[*:1]
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(OCC(N)=O)c1 NC(=O)C[*:1] CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(c1)O[*:1]
O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCOC[C@H]1[*:1]
O=C(NCc1ccco1)c1nnc(Cc2ccc3c(c2)OCO3)o1 c1coc(c1)[*:1] O=C(NC[*:1])c1nnc(Cc2ccc3OCOc3c2)o1
O=C(NCc1ccco1)c1nnc(Cc2ccc3c(c2)OCO3)o1 c1coc(c1)C[*:1] O=C(N[*:1])c1nnc(Cc2ccc3OCOc3c2)o1
CCOc1ccc(OCC(=O)Nc2onc3c2CSC3)cc1 CCO[*:1] O=C(COc1ccc(cc1)[*:1])Nc1onc2CSCc21
CCN(CCO)C(=O)CCCn1ccc2cc(Cl)ccc21 OCC[*:1] CCN(C(=O)CCCn1ccc2cc(Cl)ccc21)[*:1]
Cc1cc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nn1C Cc1cc(nn1C)[*:1] O=C(Nc1nc(cs1)-c1ccc(F)c(F)c1)[*:1]
CC[C@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)N1CC[C@](O)(C1)C(F)(F)F)[*:1]
CC[C@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1nc(C)cs1 FC(F)(F)[*:1] CC[C@H](NC(=O)N1CC[C@@](O)(C1)[*:1])c1nc(C)cs1
CCn1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N1C[C@H](C)O[C@H](C)C1
Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)C1CCC(C)CC1 NS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N(C)C1CCC(C)CC1)[*:1]
Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)C1CCC(C)CC1 CC1CCC(CC1)[*:1] Cc1ccc(cc1C(=O)N(C)[*:1])S(N)(=O)=O
CS(=O)(=O)N1CCCN(C(=O)NCc2ccc(Cl)nc2)CC1 Clc1ccc(cn1)[*:1] CS(=O)(=O)N1CCCN(CC1)C(=O)NC[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)COc2ccccc21 Clc1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCN1C(=O)COc2ccccc21
CN(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)COc2ccccc21 Clc1ccc(cc1)C[*:1] CN(C(=O)CCN1C(=O)COc2ccccc21)[*:1]
O=C(C[C@H]1C=CCC1)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 c1cncc(c1)[*:1] O=C(C[C@H]1C=CCC1)NCCn1nc(cc1[*:1])-c1ccc(F)cc1
O=C(C[C@H]1C=CCC1)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 Fc1ccc(cc1)[*:1] O=C(C[C@H]1C=CCC1)NCCn1nc(cc1-c1cccnc1)[*:1]
Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1cccc(OCC#N)c1)CCCO2 N#CCO[*:1] Cc1cc(Cl)c2OCCC[C@@H]([NH2+]Cc3cccc(c3)[*:1])c2c1
Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1cccc(OCC#N)c1)CCCO2 N#CC[*:1] Cc1cc(Cl)c2OCCC[C@@H]([NH2+]Cc3cccc(c3)O[*:1])c2c1
Cc1nc(-c2cccs2)sc1C(=O)NCCn1cnc(-c2ccc(F)cc2)cc1=O Fc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NCCn1cnc(cc1=O)[*:1])-c1cccs1
Cc1nc(-c2cccs2)sc1C(=O)NCCn1cnc(-c2ccc(F)cc2)cc1=O c1csc(c1)[*:1] Cc1nc(sc1C(=O)NCCn1cnc(cc1=O)-c1ccc(F)cc1)[*:1]
CC[C@@H](C)n1ncc(C(=O)N[C@H](C)C(=O)N2CCOCC2)c1C1CC1 CC[C@@H](C)[*:1] C[C@@H](NC(=O)c1cnn(c1C1CC1)[*:1])C(=O)N1CCOCC1
CC[C@@H](C)n1ncc(C(=O)N[C@H](C)C(=O)N2CCOCC2)c1C1CC1 O=C(N1CCOCC1)[*:1] CC[C@@H](C)n1ncc(C(=O)N[C@H](C)[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)N[C@H](C)C(=O)N2CCOCC2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N[C@H](C)C(=O)N2CCOCC2)c1[*:1]
Cc1nc(CN(C)C(=O)NCc2ccc(C(=O)[O-])o2)n[nH]1 O=C([O-])[*:1] Cc1nc(CN(C)C(=O)NCc2ccc(o2)[*:1])n[nH]1
Cc1nc(CN(C)C(=O)NCc2ccc(C(=O)[O-])o2)n[nH]1 Cc1nc(C[*:1])n[nH]1 CN(C(=O)NCc1ccc(o1)C(=O)[O-])[*:1]
Cc1nc(CN(C)C(=O)NCc2ccc(C(=O)[O-])o2)n[nH]1 Cc1nc(n[nH]1)[*:1] CN(C[*:1])C(=O)NCc1ccc(o1)C(=O)[O-]
C[C@@H](CCNC(=O)c1cn(C)nc1-c1ccccc1)[S@@](C)=O c1ccc(cc1)[*:1] C[C@@H](CCNC(=O)c1cn(C)nc1[*:1])[S@@](C)=O
Cc1ccccc1OC1CN(C(=O)c2cccc(C)c2O)C1 Cc1ccccc1[*:1] Cc1cccc(C(=O)N2CC(C2)O[*:1])c1O
O=C(CCn1cncn1)N1CCC(OCc2ccccc2)CC1 c1ncn(n1)[*:1] O=C(CC[*:1])N1CCC(CC1)OCc1ccccc1
O=C(CCn1cncn1)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCn1cncn1)N1CCC(CC1)OC[*:1]
O=C(CCn1cncn1)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CCn1cncn1)N1CCC(CC1)O[*:1]
O=C(CCn1cncn1)N1CCC(OCc2ccccc2)CC1 c1ncn(C[*:1])n1 O=C(C[*:1])N1CCC(CC1)OCc1ccccc1
O=C(CCn1cncn1)N1CCC(OCc2ccccc2)CC1 c1ncn(CC[*:1])n1 O=C(N1CCC(CC1)OCc1ccccc1)[*:1]
CNC(=O)[C@@H]1CCCN(C(=O)NCC2(c3ccccc3F)CC2)C1 CNC(=O)[*:1] O=C(NCC1(CC1)c1ccccc1F)N1CCC[C@H](C1)[*:1]
CNC(=O)[C@@H]1CCCN(C(=O)NCC2(c3ccccc3F)CC2)C1 Fc1ccccc1[*:1] CNC(=O)[C@@H]1CCCN(C1)C(=O)NCC1(CC1)[*:1]
COC(=O)c1[nH]c(C)cc1NC(=O)N1CC[C@@H](C)[C@H](O)C1 COC(=O)[*:1] Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](O)C2)c([nH]1)[*:1]
Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)c3snnc3C)n2)s1 Cc1nnsc1[*:1] Cc1nc(C)c(s1)-c1ccc(=O)n(CCNC(=O)[*:1])n1
Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)c3snnc3C)n2)s1 Cc1nc(C)c(s1)[*:1] Cc1nnsc1C(=O)NCCn1nc(ccc1=O)[*:1]
S=C1SCCN1CN1CCc2ccc(Cl)cc2C1 S=C1SCCN1[*:1] Clc1ccc2CCN(Cc2c1)C[*:1]
COc1ccc(-c2cn3nc(SCC(=O)Nc4ccc5c(c4)OCCO5)ccc3n2)cc1 c1cc2OCCOc2cc1[*:1] COc1ccc(cc1)-c1cn2nc(ccc2n1)SCC(=O)N[*:1]
COc1ccc(-c2cn3nc(SCC(=O)Nc4ccc5c(c4)OCCO5)ccc3n2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1ccc2nc(cn2n1)[*:1])Nc1ccc2OCCOc2c1
CC[C@@H](NS(C)(=O)=O)c1ccccc1OCC(=O)N1CCCC1 CS(=O)(=O)N[*:1] CC[C@@H](c1ccccc1OCC(=O)N1CCCC1)[*:1]
CC[C@@H](NS(C)(=O)=O)c1ccccc1OCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC[C@@H](NS(C)(=O)=O)c1ccccc1OC[*:1]
C[C@@H](OCC(F)(F)F)C(=O)Nc1cc(F)cc(Br)c1 FC(F)(F)CO[*:1] C[C@@H](C(=O)Nc1cc(F)cc(Br)c1)[*:1]
C[C@@H](OCC(F)(F)F)C(=O)Nc1cc(F)cc(Br)c1 FC(F)(F)C[*:1] C[C@@H](O[*:1])C(=O)Nc1cc(F)cc(Br)c1
C[C@@H](OCC(F)(F)F)C(=O)Nc1cc(F)cc(Br)c1 FC(F)(F)[*:1] C[C@@H](OC[*:1])C(=O)Nc1cc(F)cc(Br)c1
CCC(C)(C)[C@@H]1CCc2c(sc(=O)n2CCCC(=O)[O-])C1 O=C([O-])C[*:1] CCC(C)(C)[C@@H]1CCc2c(C1)sc(=O)n2CC[*:1]
CCC(C)(C)[C@@H]1CCc2c(sc(=O)n2CCCC(=O)[O-])C1 CCC(C)(C)[*:1] O=C([O-])CCCn1c2CC[C@H](Cc2sc1=O)[*:1]
CCC(C)(C)[C@@H]1CCc2c(sc(=O)n2CCCC(=O)[O-])C1 O=C([O-])[*:1] CCC(C)(C)[C@@H]1CCc2c(C1)sc(=O)n2CCC[*:1]
CCC(C)(C)[C@@H]1CCc2c(sc(=O)n2CCCC(=O)[O-])C1 O=C([O-])CC[*:1] CCC(C)(C)[C@@H]1CCc2c(C1)sc(=O)n2C[*:1]
CCC(C)(C)[C@@H]1CCc2c(sc(=O)n2CCCC(=O)[O-])C1 O=C([O-])CCC[*:1] CCC(C)(C)[C@@H]1CCc2c(C1)sc(=O)n2[*:1]
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1OC(C)C CC(C)[*:1] CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1O[*:1]
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1OC(C)C CCC[*:1] CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1C[C@H]1[*:1]
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1OC(C)C CC(C)O[*:1] CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1[*:1]
O=C(Nc1cccc(Cn2cccnc2=O)c1)NC1(c2ccc(Br)cc2)CCC1 O=c1ncccn1[*:1] O=C(Nc1cccc(c1)C[*:1])NC1(CCC1)c1ccc(Br)cc1
O=C(Nc1cccc(Cn2cccnc2=O)c1)NC1(c2ccc(Br)cc2)CCC1 Brc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)Cn1cccnc1=O)NC1(CCC1)[*:1]
O=C(Nc1cccc(Cn2cccnc2=O)c1)NC1(c2ccc(Br)cc2)CCC1 O=c1ncccn1C[*:1] O=C(Nc1cccc(c1)[*:1])NC1(CCC1)c1ccc(Br)cc1
Cc1ccc(C(N)=O)c(N(C)CC(C)(C)C[NH3+])n1 NC(=O)[*:1] Cc1ccc(c(n1)N(C)CC(C)(C)C[NH3+])[*:1]
Cc1cc(C)n(-c2ccc(NCCNC(=O)Nc3cc(F)cc(F)c3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCCNc1ccc(nn1)[*:1])Nc1cc(F)cc(F)c1
Cc1cc(C)n(-c2ccc(NCCNC(=O)Nc3cc(F)cc(F)c3)nn2)n1 Fc1cc(F)cc(c1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)NCCNC(=O)N[*:1]
Cc1nn(C)c(C)c1C(=O)NCC[NH3+] [NH3+]CC[*:1] Cc1nn(C)c(C)c1C(=O)N[*:1]
C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 FC(F)(F)[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])c1cccc(C#N)c1
N#Cc1ccc(N2CCC([NH2+]Cc3ccc(F)cc3Cl)CC2)nc1 Fc1ccc(c(Cl)c1)[*:1] N#Cc1ccc(nc1)N1CCC(CC1)[NH2+]C[*:1]
N#Cc1ccc(N2CCC([NH2+]Cc3ccc(F)cc3Cl)CC2)nc1 N#Cc1ccc(nc1)[*:1] Fc1ccc(C[NH2+]C2CCN(CC2)[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1 C1CC1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C1CN(C1)S(=O)(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])C1CN(C1)S(=O)(=O)C1CC1
O=C(C[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)NC[C@@H]1COc2ccccc2O1 O=C(Nc1cccc(F)c1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])NC[C@@H]1COc2ccccc2O1
O=C(C[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)NC[C@@H]1COc2ccccc2O1 Fc1cccc(c1)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N[*:1])NC[C@@H]1COc2ccccc2O1
O=C(C[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)NC[C@@H]1COc2ccccc2O1 c1ccc2O[C@@H](COc2c1)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)Nc1cccc(F)c1)NC[*:1]
O=C(COc1ccc(Cl)cc1Cl)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 Fc1cccc(Cl)c1[*:1] O=C(COc1ccc(Cl)cc1Cl)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(COc1ccc(Cl)cc1Cl)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1
O=C(COc1ccc(Cl)cc1Cl)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 Fc1cccc(Cl)c1C[*:1] O=C(COc1ccc(Cl)cc1Cl)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(COc1ccc(Cl)cc1Cl)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 Clc1ccc(O[*:1])c(Cl)c1 O=C(C[*:1])N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1
O=C1NC[C@@H]2CN(Cc3ccc(-c4cccnc4)o3)CCN2C1=O c1cncc(c1)[*:1] O=C1NC[C@@H]2CN(CCN2C1=O)Cc1ccc(o1)[*:1]
C=CCNC(=S)N(C)Cc1cc(=O)[nH]c2ccccc12 C=CC[*:1] CN(Cc1cc(=O)[nH]c2ccccc12)C(=S)N[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)[C@H](C)CC(=O)NCc3ccc4c(c3)OCO4)ccc21 c1cc2OCOc2cc1[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)[C@H](C)CC(=O)NC[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)[C@H](C)CC(=O)NCc3ccc4c(c3)OCO4)ccc21 c1cc2OCOc2cc1C[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)[C@H](C)CC(=O)N[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 CS(=O)(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1ccc(cc1)[*:1]
CN1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3cccs3)C2)CC1 c1csc(c1)[*:1] CN1CCN(CC1)C(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
C[C@@H](C(=O)NCCc1ccc[nH]1)n1cccc1 c1ccn(c1)[*:1] C[C@@H](C(=O)NCCc1ccc[nH]1)[*:1]
C[C@@H](C(=O)NCCc1ccc[nH]1)n1cccc1 c1c[nH]c(c1)[*:1] C[C@@H](C(=O)NCC[*:1])n1cccc1
CCCCc1nc2ncccc2o1 CCCC[*:1] c1cnc2nc(oc2c1)[*:1]
CCCCc1nc2ncccc2o1 CCC[*:1] c1cnc2nc(C[*:1])oc2c1
Cc1nc(CNC(=O)N2CCN(C(=O)C3CCCCC3)CC2)no1 Cc1nc(C[*:1])no1 O=C(N[*:1])N1CCN(CC1)C(=O)C1CCCCC1
Cc1nc(CNC(=O)N2CCN(C(=O)C3CCCCC3)CC2)no1 Cc1nc(no1)[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)C1CCCCC1
Cc1nc(CNC(=O)N2CCN(C(=O)C3CCCCC3)CC2)no1 C1CCC(CC1)[*:1] Cc1nc(CNC(=O)N2CCN(CC2)C(=O)[*:1])no1
Cc1ccc(N2C[C@H](C(=O)N3CCC(Cc4nc(-c5ccccc5)no4)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC(CC1)Cc1nc(no1)-c1ccccc1
Cc1ccc(N2C[C@H](C(=O)N3CCC(Cc4nc(-c5ccccc5)no4)CC3)CC2=O)cc1 c1ccc(cc1)-c1noc(n1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)C[*:1]
Cc1ccc(N2C[C@H](C(=O)N3CCC(Cc4nc(-c5ccccc5)no4)CC3)CC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)Cc1nc(no1)[*:1]
CC[C@H](CCO)CNS(=O)(=O)N(C)C OCC[*:1] CC[C@H](CNS(=O)(=O)N(C)C)[*:1]
Cn1cccc1CN1CCc2c(Br)cccc2C1 Cn1cccc1[*:1] Brc1cccc2CN(CCc12)C[*:1]
C[C@@H](OC(=O)c1ccccc1SC[C@H]1CCCO1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](OC(=O)c1ccccc1SC[C@H]1CCCO1)[*:1]
C[C@@H](OC(=O)c1ccccc1SC[C@H]1CCCO1)c1ccccn1 C1CO[C@H](C1)[*:1] C[C@@H](OC(=O)c1ccccc1SC[*:1])c1ccccn1
C[C@@H](OC(=O)c1ccccc1SC[C@H]1CCCO1)c1ccccn1 C[C@@H](c1ccccn1)[*:1] O=C(O[*:1])c1ccccc1SC[C@H]1CCCO1
C[C@@H](OC(=O)c1ccccc1SC[C@H]1CCCO1)c1ccccn1 C1CO[C@H](C1)CS[*:1] C[C@@H](OC(=O)c1ccccc1[*:1])c1ccccn1
C[C@@H](OC(=O)c1ccccc1SC[C@H]1CCCO1)c1ccccn1 C1CO[C@H](C1)C[*:1] C[C@@H](OC(=O)c1ccccc1S[*:1])c1ccccn1
C[C@@H](OC(=O)c1cccnc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl c1cncc(c1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1cc(Cl)c(Cl)cc1Cl
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H]2C[C@H](C)OC2=O)n1 FC(F)(F)[*:1] Cc1cc(c(C#N)c(n1)S[C@H]1C[C@H](C)OC1=O)[*:1]
CCN1C(=O)[C@H](CC(=O)NC[C@H]2CCCO2)Sc2ncccc21 C1CO[C@H](C1)[*:1] CCN1C(=O)[C@H](CC(=O)NC[*:1])Sc2ncccc21
CCN1C(=O)[C@H](CC(=O)NC[C@H]2CCCO2)Sc2ncccc21 C1CO[C@H](C1)C[*:1] CCN1C(=O)[C@H](CC(=O)N[*:1])Sc2ncccc21
CC[C@@H](C#N)OC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] CC[C@@H](C#N)OC(=O)CCc1ncc(o1)[*:1]
O=S(=O)(NC[C@H](O)C1CCCCC1)c1ccc(F)c(Cl)c1 C1CCC(CC1)[*:1] O=S(=O)(NC[C@H](O)[*:1])c1ccc(F)c(Cl)c1
Cc1nc([C@H](C)Nc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)cs1 Cc1nc(cs1)[*:1] Cc1nc([nH]c(=O)c1C)-c1ccc(nc1)N[C@@H](C)[*:1]
Cc1ccc([N+](=O)[O-])c(N[C@@H](C[NH3+])CC(C)C)c1 CC(C)[*:1] Cc1ccc(c(c1)N[C@@H](C[NH3+])C[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N[C@@H](C[NH3+])CC(C)C)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N[C@@H](C[NH3+])CC(C)C)[*:1]
Cc1ccc([N+](=O)[O-])c(N[C@@H](C[NH3+])CC(C)C)c1 CC(C)C[*:1] Cc1ccc(c(c1)N[C@@H](C[NH3+])[*:1])[N+](=O)[O-]
O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1ccccn1 c1ccc2c(nsc2c1)[*:1] O=C(CCC(=O)N1CCN(CC1)[*:1])Nc1ccccn1
O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(CCC(=O)N1CCN(CC1)c1nsc2ccccc12)N[*:1]
O=C(CCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1ccccn1 O=C(Nc1ccccn1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1nsc2ccccc12
O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1cccnc1)CC(O)=N2 C1CCCC(CC1)[*:1] O=c1[nH]n(c2N=C(O)C[C@@H](c3cccnc3)c21)[*:1]
O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1cccnc1)CC(O)=N2 c1cncc(c1)[*:1] O=c1[nH]n(c2N=C(O)C[C@@H](c21)[*:1])C1CCCCCC1
Cn1cc(C(=O)N/N=C/c2ccccn2)ccc1=O c1ccc(nc1)[*:1] Cn1cc(ccc1=O)C(=O)NN=C[*:1]
COC(=O)CCN1CCN(C(=O)NCCc2c(C)nn(C)c2C)[C@H](C)C1 COC(=O)[*:1] Cc1nn(C)c(C)c1CCNC(=O)N1CCN(CC[*:1])C[C@H]1C
COC(=O)CCN1CCN(C(=O)NCCc2c(C)nn(C)c2C)[C@H](C)C1 Cc1nn(C)c(C)c1[*:1] COC(=O)CCN1CCN(C(=O)NCC[*:1])[C@H](C)C1
COC(=O)CCN1CCN(C(=O)NCCc2c(C)nn(C)c2C)[C@H](C)C1 COC(=O)C[*:1] Cc1nn(C)c(C)c1CCNC(=O)N1CCN(C[C@H]1C)C[*:1]
COC(=O)CCN1CCN(C(=O)NCCc2c(C)nn(C)c2C)[C@H](C)C1 COC(=O)CC[*:1] Cc1nn(C)c(C)c1CCNC(=O)N1CCN(C[C@H]1C)[*:1]
CNC(=O)[C@@H]1CCCN1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 Fc1ccc(cc1)N[*:1] CNC(=O)[C@@H]1CCCN1Cc1nc(N)nc(n1)[*:1]
CNC(=O)[C@@H]1CCCN1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CNC(=O)[C@@H]1CCCN1Cc1nc(N)nc(n1)N[*:1]
CNC(=O)[C@@H]1CCCN1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 CNC(=O)[*:1] Nc1nc(CN2CCC[C@H]2[*:1])nc(n1)Nc1ccc(F)cc1
C=CCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2cccc(Cl)c2)S1 Clc1cccc(c1)[*:1] C=CCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](C[*:1])S1
C=CCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2cccc(Cl)c2)S1 Clc1cccc(c1)C[*:1] C=CCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](S1)[*:1]
C=CCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2cccc(Cl)c2)S1 C=CCO[*:1] O=C1N/C(=N\N=C\c2ccccc2[*:1])S[C@@H]1Cc1cccc(Cl)c1
C=CCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2cccc(Cl)c2)S1 C=CC[*:1] O=C1N/C(=N\N=C\c2ccccc2O[*:1])S[C@@H]1Cc1cccc(Cl)c1
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@H]1[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 NC(=O)[*:1] O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1Cc2ccccc2C[C@H]1[*:1]
CCCN(C(=O)c1cc(C2CC2)on1)[C@H]1CCc2ccccc2C1 C1CC1[*:1] CCCN(C(=O)c1cc(on1)[*:1])[C@H]1CCc2ccccc2C1
CCCN(C(=O)c1cc(C2CC2)on1)[C@H]1CCc2ccccc2C1 CCC[*:1] O=C(c1cc(on1)C1CC1)N([C@H]1CCc2ccccc2C1)[*:1]
CCCN(C(=O)c1cc(C2CC2)on1)[C@H]1CCc2ccccc2C1 c1c(noc1C1CC1)[*:1] CCCN(C(=O)[*:1])[C@H]1CCc2ccccc2C1
COc1ccc(Br)cc1S(=O)(=O)N(C)CC(=O)[O-] O=C([O-])C[*:1] COc1ccc(Br)cc1S(=O)(=O)N(C)[*:1]
COc1ccc(Br)cc1S(=O)(=O)N(C)CC(=O)[O-] O=C([O-])[*:1] COc1ccc(Br)cc1S(=O)(=O)N(C)C[*:1]
COc1cccc(OC[C@H]2CCCN(C(=O)CSC)C2)c1 CSC[*:1] COc1cccc(c1)OC[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@@H]3CCS(=O)(=O)C3)n2)c1 Cc1ccc(cc1C)[*:1] Cc1cc(C)cc(c1)NC(=O)c1cc(n(n1)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@@H]3CCS(=O)(=O)C3)n2)c1 Cc1cc(C)cc(c1)[*:1] Cc1ccc(cc1C)-c1cc(nn1[C@@H]1CCS(=O)(=O)C1)C(=O)N[*:1]
O=C(Nc1ccccc1)C(=Cc1cccc(NC(=O)C(F)(F)F)c1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)C(=Cc1cccc(c1)NC(=O)C(F)(F)F)C(=O)N[*:1]
O=C(Nc1ccccc1)C(=Cc1cccc(NC(=O)C(F)(F)F)c1)C(=O)Nc1ccccc1 FC(F)(F)[*:1] O=C(Nc1ccccc1)C(=Cc1cccc(c1)NC(=O)[*:1])C(=O)Nc1ccccc1
O=C(Nc1ccccc1)C(=Cc1cccc(NC(=O)C(F)(F)F)c1)C(=O)Nc1ccccc1 O=C(N[*:1])C(F)(F)F O=C(Nc1ccccc1)C(=Cc1cccc(c1)[*:1])C(=O)Nc1ccccc1
O=C(Nc1ccccc1)C(=Cc1cccc(NC(=O)C(F)(F)F)c1)C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(Nc1ccccc1)C(=Cc1cccc(c1)NC(=O)C(F)(F)F)[*:1]
C=CCN1CCn2ncc(C(=O)NCc3ccco3)c2C1 c1coc(c1)[*:1] C=CCN1CCn2ncc(C(=O)NC[*:1])c2C1
C=CCN1CCn2ncc(C(=O)NCc3ccco3)c2C1 C=CC[*:1] O=C(NCc1ccco1)c1cnn2CCN(Cc12)[*:1]
C=CCN1CCn2ncc(C(=O)NCc3ccco3)c2C1 c1coc(c1)C[*:1] C=CCN1CCn2ncc(C(=O)N[*:1])c2C1
Cc1cc(C(=O)NCCc2ccc[nH]2)c(N)c([N+](=O)[O-])c1 c1c[nH]c(c1)C[*:1] Cc1cc(C(=O)NC[*:1])c(N)c(c1)[N+](=O)[O-]
Cc1cc(C(=O)NCCc2ccc[nH]2)c(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C(=O)NCCc2ccc[nH]2)c(N)c(c1)[*:1]
Cc1cc(C(=O)NCCc2ccc[nH]2)c(N)c([N+](=O)[O-])c1 c1c[nH]c(c1)CC[*:1] Cc1cc(C(=O)N[*:1])c(N)c(c1)[N+](=O)[O-]
Cc1cc(C(=O)NCCc2ccc[nH]2)c(N)c([N+](=O)[O-])c1 c1c[nH]c(c1)[*:1] Cc1cc(C(=O)NCC[*:1])c(N)c(c1)[N+](=O)[O-]
COCC[S@](=O)[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 COC[*:1] C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)[S@@](=O)C[*:1]
COCC[S@](=O)[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 COCC[*:1] C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)[S@@](=O)[*:1]
C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1nccs1 c1csc(n1)[*:1] C[C@H](C[C@H]1CCCCC[NH2+]1)NC[*:1]
Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@@H](c2ccccc2C(=O)[O-])C1 c1csc(c1)[*:1] Cn1nc(cc1C(=O)N1CC[C@H](C1)c1ccccc1C(=O)[O-])[*:1]
Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@@H](c2ccccc2C(=O)[O-])C1 O=C([O-])[*:1] Cn1nc(cc1C(=O)N1CC[C@H](C1)c1ccccc1[*:1])-c1cccs1
Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@@H](c2ccccc2C(=O)[O-])C1 O=C([O-])c1ccccc1[*:1] Cn1nc(cc1C(=O)N1CC[C@@H](C1)[*:1])-c1cccs1
CCOc1cccc([C@H]2CCCc3nc(N)sc32)c1 CCO[*:1] Nc1nc2CCC[C@H](c3cccc(c3)[*:1])c2s1
O=S(=O)(Oc1ccc(Cl)cc1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(Oc1ccc(Cl)cc1)[*:1]
COCCCCC(=O)Nc1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] COCCCCC(=O)Nc1cc(ccc1F)[*:1]
COCCCCC(=O)Nc1cc(C(F)(F)F)ccc1F COC[*:1] O=C(CCC[*:1])Nc1cc(ccc1F)C(F)(F)F
COCCCCC(=O)Nc1cc(C(F)(F)F)ccc1F COCCCC[*:1] O=C(Nc1cc(ccc1F)C(F)(F)F)[*:1]
COCCCCC(=O)Nc1cc(C(F)(F)F)ccc1F COCC[*:1] O=C(CC[*:1])Nc1cc(ccc1F)C(F)(F)F
COCCCCC(=O)Nc1cc(C(F)(F)F)ccc1F COCCC[*:1] O=C(C[*:1])Nc1cc(ccc1F)C(F)(F)F
Cc1sc2ncn(CCC(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2ncn(CCC(=O)NCC(=O)N3CCN(CC3)C[*:1])c(=O)c2c1C
Cc1sc2ncn(CCC(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2c1C c1ccc(cc1)C[*:1] Cc1sc2ncn(CCC(=O)NCC(=O)N3CCN(CC3)[*:1])c(=O)c2c1C
CCCCNC(=O)C1CCN(C(=O)NC2[C@@H](C)CCC[C@@H]2C)CC1 CCCCNC(=O)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)N1CCC(CC1)[*:1]
CCCCNC(=O)C1CCN(C(=O)NC2[C@@H](C)CCC[C@@H]2C)CC1 CCC[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)N1CCC(CC1)C(=O)NC[*:1]
CCCCNC(=O)C1CCN(C(=O)NC2[C@@H](C)CCC[C@@H]2C)CC1 CCCC[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1nc(C2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)no1 CC(C)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1nc(C2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)no1 Cc1nc(no1)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(OC2CCN(C(=O)c3cccc(F)c3)CC2)cn1 Cc1ccc(cn1)[*:1] O=C(c1cccc(F)c1)N1CCC(CC1)O[*:1]
Cc1ccc(OC2CCN(C(=O)c3cccc(F)c3)CC2)cn1 Fc1cccc(c1)[*:1] Cc1ccc(cn1)OC1CCN(CC1)C(=O)[*:1]
C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1cccc(F)c1)C(C)C Fc1cccc(c1)[*:1] C=CCn1c(C)nnc1S[C@@H](C(=O)N[*:1])C(C)C
C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1cccc(F)c1)C(C)C CC(C)[*:1] C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1cccc(F)c1)[*:1]
C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1cccc(F)c1)C(C)C C=CC[*:1] Cc1nnc(S[C@@H](C(=O)Nc2cccc(F)c2)C(C)C)n1[*:1]
Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NC4CC4)CC3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)C(=O)N1CCC(CC1)C(=O)NC1CC1
Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NC4CC4)CC3)s2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NC4CC4)CC3)s2)cc1 C1CC1[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)C(=O)N1CCC(CC1)C(=O)N[*:1]
O=[N+]([O-])c1ccc(N[C@@H]2CCN(C/C=C/c3ccco3)C2)nc1 C(=C[*:1])c1ccco1 O=[N+]([O-])c1ccc(nc1)N[C@@H]1CCN(C1)C[*:1]
O=[N+]([O-])c1ccc(N[C@@H]2CCN(C/C=C/c3ccco3)C2)nc1 c1coc(c1)[*:1] O=[N+]([O-])c1ccc(nc1)N[C@@H]1CCN(CC=C[*:1])C1
O=[N+]([O-])c1ccc(N[C@@H]2CCN(C/C=C/c3ccco3)C2)nc1 O=[N+]([O-])[*:1] C(=C/c1ccco1)\CN1CC[C@H](C1)Nc1ccc(cn1)[*:1]
COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@H](NC(=O)c1ccccc1)C(C)C)CC2 O=C(N[*:1])c1ccccc1 COc1cc2CCN(C(=O)[C@H](C(C)C)[*:1])[C@@H](C)c2cc1OC
COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@H](NC(=O)c1ccccc1)C(C)C)CC2 CC(C)[*:1] COc1cc2CCN(C(=O)[C@H](NC(=O)c3ccccc3)[*:1])[C@@H](C)c2cc1OC
COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@H](NC(=O)c1ccccc1)C(C)C)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(C(=O)[C@H](NC(=O)[*:1])C(C)C)[C@@H](C)c2cc1OC
COC(=O)c1ccc(-c2noc(C[NH+]3CCN(c4ccc(Cl)c[nH+]4)CC3)n2)cc1 COC(=O)[*:1] Clc1ccc([nH+]c1)N1CC[NH+](CC1)Cc1nc(no1)-c1ccc(cc1)[*:1]
COc1cccc([C@H](CO)NC(=O)CCc2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1cccc(c1)[C@H](CO)NC(=O)CC[*:1]
Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cc(-c3cnn(C)c3)nc3cc(C)ccc23)c1 Cc1ccnc(c1)[*:1] Cc1ccc2c(cc(nc2c1)-c1cnn(C)c1)C(=O)N(C)[C@H](C)C[*:1]
Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cc(-c3cnn(C)c3)nc3cc(C)ccc23)c1 Cn1cc(cn1)[*:1] Cc1ccnc(c1)C[C@@H](C)N(C)C(=O)c1cc(nc2cc(C)ccc12)[*:1]
Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cc(-c3cnn(C)c3)nc3cc(C)ccc23)c1 Cc1ccnc(c1)C[*:1] Cc1ccc2c(cc(nc2c1)-c1cnn(C)c1)C(=O)N(C)[C@H](C)[*:1]
COc1ccc(C[NH+]2CCN(CCS(=O)(=O)c3ccccc3)CC2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)C[NH+]1CCN(CC1)CCS(=O)(=O)[*:1]
COc1ccc(C[NH+]2CCN(CCS(=O)(=O)c3ccccc3)CC2)cc1F O=S(=O)(c1ccccc1)[*:1] COc1ccc(cc1F)C[NH+]1CCN(CC1)CC[*:1]
COc1ccc(C[NH+]2CCN(CCS(=O)(=O)c3ccccc3)CC2)cc1F COc1ccc(cc1F)[*:1] O=S(=O)(CCN1CC[NH+](CC1)C[*:1])c1ccccc1
Cn1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1NC(=O)c1cccs1 c1cc2OCOc2cc1C[*:1] Cn1nc(cc1NC(=O)c1cccs1)C(=O)N1CCN(CC1)[*:1]
Cn1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1NC(=O)c1cccs1 c1csc(c1)[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)N1CCN(CC1)Cc1ccc2OCOc2c1
Cn1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1NC(=O)c1cccs1 c1cc2OCOc2cc1[*:1] Cn1nc(cc1NC(=O)c1cccs1)C(=O)N1CCN(CC1)C[*:1]
Cn1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1NC(=O)c1cccs1 O=C(N[*:1])c1cccs1 Cn1nc(cc1[*:1])C(=O)N1CCN(CC1)Cc1ccc2OCOc2c1
COC(=O)N[C@@H](C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)C(C)C CC(C)[*:1] COC(=O)N[C@@H](C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
COC(=O)N[C@@H](C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)C(C)C COC(=O)N[*:1] CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
Cc1nc(C)c(CNC(=O)N(Cc2ccccc2)CC2CCOCC2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(CNC(=O)N(CC2CCOCC2)C[*:1])s1
Cc1nc(C)c(CNC(=O)N(Cc2ccccc2)CC2CCOCC2)s1 Cc1nc(C)c(s1)[*:1] O=C(NC[*:1])N(Cc1ccccc1)CC1CCOCC1
Cc1nc(C)c(CNC(=O)N(Cc2ccccc2)CC2CCOCC2)s1 Cc1nc(C)c(C[*:1])s1 O=C(N[*:1])N(Cc1ccccc1)CC1CCOCC1
Cc1nc(C)c(CNC(=O)N(Cc2ccccc2)CC2CCOCC2)s1 C1CC(CCO1)C[*:1] Cc1nc(C)c(CNC(=O)N(Cc2ccccc2)[*:1])s1
Cc1nc(C)c(CNC(=O)N(Cc2ccccc2)CC2CCOCC2)s1 c1ccc(cc1)C[*:1] Cc1nc(C)c(CNC(=O)N(CC2CCOCC2)[*:1])s1
Cc1nc(C)c(CNC(=O)N(Cc2ccccc2)CC2CCOCC2)s1 C1CC(CCO1)[*:1] Cc1nc(C)c(CNC(=O)N(Cc2ccccc2)C[*:1])s1
CCSc1cncc(Sc2nnc(C3CC[NH2+]CC3)n2C(C)C)n1 CC(C)[*:1] CCSc1cncc(n1)Sc1nnc(C2CC[NH2+]CC2)n1[*:1]
CCSc1cncc(Sc2nnc(C3CC[NH2+]CC3)n2C(C)C)n1 CCS[*:1] CC(C)n1c(nnc1C1CC[NH2+]CC1)Sc1cncc(n1)[*:1]
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Cc2cccnc2)C1 c1cncc(c1)[*:1] Cc1ccccc1[C@H]1C[C@H](C)N(C1)C(=O)C[*:1]
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Cc2cccnc2)C1 Cc1ccccc1[*:1] C[C@H]1C[C@@H](CN1C(=O)Cc1cccnc1)[*:1]
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Cc2cccnc2)C1 c1cncc(c1)C[*:1] Cc1ccccc1[C@H]1C[C@H](C)N(C1)C(=O)[*:1]
COCCCN(C)C(=O)Nc1cc(C(C)(C)C)on1 COC[*:1] CN(CC[*:1])C(=O)Nc1cc(on1)C(C)(C)C
COCCCN(C)C(=O)Nc1cc(C(C)(C)C)on1 CC(C)(C)[*:1] COCCCN(C)C(=O)Nc1cc(on1)[*:1]
COCCCN(C)C(=O)Nc1cc(C(C)(C)C)on1 COCC[*:1] CN(C[*:1])C(=O)Nc1cc(on1)C(C)(C)C
COCCCN(C)C(=O)Nc1cc(C(C)(C)C)on1 COCCC[*:1] CN(C(=O)Nc1cc(on1)C(C)(C)C)[*:1]
CN(CC(C)(C)O)c1ccccc1C(F)(F)F CC(C)(O)[*:1] CN(C[*:1])c1ccccc1C(F)(F)F
CN(CC(C)(C)O)c1ccccc1C(F)(F)F CC(C)(O)C[*:1] CN(c1ccccc1C(F)(F)F)[*:1]
CN(CC(C)(C)O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] CN(CC(C)(C)O)c1ccccc1[*:1]
C[C@H](CNC(=O)NCCC(=O)N1CCCCC1)C[NH+]1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H](CNC(=O)NCC[*:1])C[NH+]1CCCCC1
CCN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1 FC(F)(F)C[*:1] CCN(S(=O)(=O)c1ccc(Br)cc1)[*:1]
CCN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1 FC(F)(F)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(Br)cc1
C[C@@H](CO)NC(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CO)NC(=O)NCc1ccc(cc1)S[*:1]
CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2F)s1 Fc1ccccc1[*:1] CC[C@@H](c1ccccc1)c1nnc(NC(=O)N[*:1])s1
CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2F)s1 c1ccc(cc1)[*:1] CC[C@@H](c1nnc(NC(=O)Nc2ccccc2F)s1)[*:1]
COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1OC COC(=O)[*:1] COc1ccc(c(OC)c1OC)[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2ccccc2N1C[*:1]
COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1OC COC(=O)C[*:1] COc1ccc(c(OC)c1OC)[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2ccccc2N1[*:1]
COCCSCCC(=O)Nc1cc(N)ccc1C COCCSC[*:1] Cc1ccc(N)cc1NC(=O)C[*:1]
COCCSCCC(=O)Nc1cc(N)ccc1C COCCS[*:1] Cc1ccc(N)cc1NC(=O)CC[*:1]
COCCSCCC(=O)Nc1cc(N)ccc1C COCC[*:1] Cc1ccc(N)cc1NC(=O)CCS[*:1]
COCCSCCC(=O)Nc1cc(N)ccc1C COC[*:1] Cc1ccc(N)cc1NC(=O)CCSC[*:1]
CC(C)(CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCCC1 c1cc(cc[nH+]1)[*:1] CC(C)(CNC(=O)NCC1CCN(CC1)[*:1])[NH+]1CCCCC1
Cc1ccc(-c2cc(-c3nnc(SCc4ccnn4C)n3N)[nH]n2)cc1 Cc1ccc(cc1)[*:1] Cn1nccc1CSc1nnc(-c2cc(n[nH]2)[*:1])n1N
Cc1ccc(-c2cc(-c3nnc(SCc4ccnn4C)n3N)[nH]n2)cc1 Cn1nccc1C[*:1] Cc1ccc(cc1)-c1cc([nH]n1)-c1nnc(S[*:1])n1N
Cc1ccc(-c2cc(-c3nnc(SCc4ccnn4C)n3N)[nH]n2)cc1 Cn1nccc1[*:1] Cc1ccc(cc1)-c1cc([nH]n1)-c1nnc(SC[*:1])n1N
Cc1ccc(-c2cc(-c3nnc(SCc4ccnn4C)n3N)[nH]n2)cc1 Cn1nccc1CS[*:1] Cc1ccc(cc1)-c1cc([nH]n1)-c1nnc(n1N)[*:1]
Cc1ccsc1CNc1nc2cc(N)ccc2o1 Cc1ccsc1[*:1] Nc1ccc2oc(nc2c1)NC[*:1]
C=CCCO[C@H](C)C(=O)N1CCCN(c2nc(CC)ns2)CC1 CCc1nsc(n1)[*:1] C=CCCO[C@H](C)C(=O)N1CCCN(CC1)[*:1]
C=CCCO[C@H](C)C(=O)N1CCCN(c2nc(CC)ns2)CC1 C=CCC[*:1] CCc1nsc(n1)N1CCCN(CC1)C(=O)[C@@H](C)O[*:1]
C=CCCO[C@H](C)C(=O)N1CCCN(c2nc(CC)ns2)CC1 C=CC[*:1] CCc1nsc(n1)N1CCCN(CC1)C(=O)[C@@H](C)OC[*:1]
C=CCCO[C@H](C)C(=O)N1CCCN(c2nc(CC)ns2)CC1 C=CCCO[*:1] CCc1nsc(n1)N1CCCN(CC1)C(=O)[C@@H](C)[*:1]
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2OC)cc1Cl C[C@@H]1CCCN(C1)C(=O)[*:1] COc1cc(OC)c(cc1Cl)NS(=O)(=O)c1cc(ccc1OC)[*:1]
O=CN1CCN([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 O=CN1CCN(CC1)[*:1] O=C(NC1CCCCC1)[C@H](c1cc2OCOc2cc1[N+](=O)[O-])[*:1]
O=CN1CCN([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 O=[N+]([O-])[*:1] O=CN1CCN(CC1)[C@H](C(=O)NC1CCCCC1)c1cc2OCOc2cc1[*:1]
O=CN1CCN([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 O=C(NC1CCCCC1)[*:1] O=CN1CCN(CC1)[C@H](c1cc2OCOc2cc1[N+](=O)[O-])[*:1]
O=CN1CCN([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 C1CCC(CC1)[*:1] O=CN1CCN(CC1)[C@H](C(=O)N[*:1])c1cc2OCOc2cc1[N+](=O)[O-]
COc1cc(OC)cc(-c2nnc(SCC#N)o2)c1 N#CC[*:1] COc1cc(cc(c1)-c1nnc(o1)S[*:1])OC
COc1cc(OC)cc(-c2nnc(SCC#N)o2)c1 N#CCS[*:1] COc1cc(cc(c1)-c1nnc(o1)[*:1])OC
CNC(=O)c1n[nH]c2c1[C@H](c1cccc3nsnc13)CC(=O)N2 CNC(=O)[*:1] O=C1C[C@H](c2c(n[nH]c2N1)[*:1])c1cccc2nsnc12
Cc1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] Cc1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)[*:1]
Cc1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1ccc(Br)s1 NC(=O)[*:1] Cc1n[nH]c(c1[N-]S(=O)(=O)c1ccc(Br)s1)[*:1]
COc1cccc(OC)c1C(=O)N(Cc1ccsc1)C1CC1 c1cc(cs1)[*:1] COc1cccc(OC)c1C(=O)N(C[*:1])C1CC1
COc1cccc(OC)c1C(=O)N(Cc1ccsc1)C1CC1 c1cc(cs1)C[*:1] COc1cccc(OC)c1C(=O)N(C1CC1)[*:1]
COc1cccc(OC)c1C(=O)N(Cc1ccsc1)C1CC1 C1CC1[*:1] COc1cccc(OC)c1C(=O)N(Cc1ccsc1)[*:1]
Cc1ccc2c(c1)C[C@H](Cn1ccnc1/C(N)=N/O)O2 N/C(=N\O)[*:1] Cc1ccc2O[C@H](Cc2c1)Cn1ccnc1[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)C(C)(C)C)C(=O)OC[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1ccccn1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)OCc1ccccn1
COc1ccc(OC)c2c1cc(C(=O)NCC(=O)N1CCN(Cc3ccccc3)CC1)n2C c1ccc(cc1)C[*:1] COc1ccc(OC)c2c1cc(C(=O)NCC(=O)N1CCN(CC1)[*:1])n2C
COc1ccc(OC)c2c1cc(C(=O)NCC(=O)N1CCN(Cc3ccccc3)CC1)n2C c1ccc(cc1)[*:1] COc1ccc(OC)c2c1cc(C(=O)NCC(=O)N1CCN(CC1)C[*:1])n2C
O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccoc1 c1cc(co1)[*:1] O=C(NCC#CCOc1cccc(c1)C(F)(F)F)[*:1]
O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccoc1 FC(F)(F)[*:1] O=C(NCC#CCOc1cccc(c1)[*:1])c1ccoc1
COCC[C@@H](C)C(=O)Nc1cc(Cl)ccc1Sc1nccn1C Cn1ccnc1[*:1] COCC[C@@H](C)C(=O)Nc1cc(Cl)ccc1S[*:1]
COCC[C@@H](C)C(=O)Nc1cc(Cl)ccc1Sc1nccn1C COCC[C@@H](C)[*:1] Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)[*:1]
COCC[C@@H](C)C(=O)Nc1cc(Cl)ccc1Sc1nccn1C Cn1ccnc1S[*:1] COCC[C@@H](C)C(=O)Nc1cc(Cl)ccc1[*:1]
COCC[C@@H](C)C(=O)Nc1cc(Cl)ccc1Sc1nccn1C COCC[*:1] C[C@@H](C(=O)Nc1cc(Cl)ccc1Sc1nccn1C)[*:1]
COCC[C@@H](C)C(=O)Nc1cc(Cl)ccc1Sc1nccn1C COC[*:1] C[C@H](C[*:1])C(=O)Nc1cc(Cl)ccc1Sc1nccn1C
CC(C)N(C(=O)Cc1ccc(F)cc1F)C1CCOCC1 CC(C)[*:1] O=C(Cc1ccc(F)cc1F)N(C1CCOCC1)[*:1]
CC(C)N(C(=O)Cc1ccc(F)cc1F)C1CCOCC1 C1CC(CCO1)[*:1] CC(C)N(C(=O)Cc1ccc(F)cc1F)[*:1]
C[C@@H](O)[C@H](O)C1=N[C@H]2C(=O)N=C([NH-])NC2=[NH+]C1 C[C@@H](O)[*:1] [NH-]C1=NC(=O)[C@@H]2N=C(C[NH+]=C2N1)[C@@H](O)[*:1]
C[C@@H](O)[C@H](O)C1=N[C@H]2C(=O)N=C([NH-])NC2=[NH+]C1 C[C@@H](O)[C@H](O)[*:1] [NH-]C1=NC(=O)[C@@H]2N=C(C[NH+]=C2N1)[*:1]
NC(=O)N1CCC[C@H]1C(=O)N1CCC(Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] NC(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)[*:1]
NC(=O)N1CCC[C@H]1C(=O)N1CCC(Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] NC(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)C[*:1]
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1C O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1c(nnc1-c1ccncc1)S[C@@H](C)C(=O)N[*:1]
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)-n1c(nnc1-c1ccncc1)S[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](Sc1nnc(-c2ccncc2)n1[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1C c1cc(ccn1)[*:1] Cc1ccc(cc1C)-n1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
CCn1nc(C)c(CNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1C FC(F)(F)[*:1] CCn1nc(C)c(CNC(=O)[C@H]2CCCC[C@H]2[*:1])c1C
COc1ccc(OC)c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(OC)c(c1)NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
CN(CC1=Cc2cc(Cl)ccc2OC1)Cc1[nH+]ccn1Cc1ccccc1 c1ccc(cc1)[*:1] CN(CC1=Cc2cc(Cl)ccc2OC1)Cc1[nH+]ccn1C[*:1]
CN(CC1=Cc2cc(Cl)ccc2OC1)Cc1[nH+]ccn1Cc1ccccc1 c1ccc(cc1)C[*:1] CN(CC1=Cc2cc(Cl)ccc2OC1)Cc1[nH+]ccn1[*:1]
CN(CC(=O)NC1CC1)C(=O)C[NH+](C)Cc1cccs1 C1CC1[*:1] CN(CC(=O)N[*:1])C(=O)C[NH+](C)Cc1cccs1
CN(CC(=O)NC1CC1)C(=O)C[NH+](C)Cc1cccs1 O=C(NC1CC1)[*:1] CN(C[*:1])C(=O)C[NH+](C)Cc1cccs1
CN(CC(=O)NC1CC1)C(=O)C[NH+](C)Cc1cccs1 c1csc(c1)C[*:1] CN(CC(=O)NC1CC1)C(=O)C[NH+](C)[*:1]
CN(CC(=O)NC1CC1)C(=O)C[NH+](C)Cc1cccs1 c1csc(c1)[*:1] CN(CC(=O)NC1CC1)C(=O)C[NH+](C)C[*:1]
CCOc1cccc2c(SCC(=O)[O-])cc(C)nc12 O=C([O-])CS[*:1] CCOc1cccc2c(cc(C)nc12)[*:1]
CCOc1cccc2c(SCC(=O)[O-])cc(C)nc12 CCO[*:1] Cc1cc(SCC(=O)[O-])c2cccc(c2n1)[*:1]
CCOc1cccc2c(SCC(=O)[O-])cc(C)nc12 O=C([O-])[*:1] CCOc1cccc2c(cc(C)nc12)SC[*:1]
CCOc1cccc2c(SCC(=O)[O-])cc(C)nc12 O=C([O-])C[*:1] CCOc1cccc2c(cc(C)nc12)S[*:1]
COc1ccccc1[C@@H](C)CNC(=O)C[C@H]1OCCc2ccccc21 COc1ccccc1[*:1] C[C@@H](CNC(=O)C[C@H]1OCCc2ccccc21)[*:1]
CC(C)n1nccc1NC(=O)CSc1ncccc1Cl CC(C)[*:1] O=C(CSc1ncccc1Cl)Nc1ccnn1[*:1]
CCc1cccc(NC(=O)CNC(=O)NCc2ncn(C)n2)c1 Cn1cnc(C[*:1])n1 CCc1cccc(c1)NC(=O)CNC(=O)N[*:1]
CCc1cccc(NC(=O)CNC(=O)NCc2ncn(C)n2)c1 Cn1cnc(n1)[*:1] CCc1cccc(c1)NC(=O)CNC(=O)NC[*:1]
C/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccco1 c1coc(c1)[*:1] CC(=NNC(=O)Cn1nc(C)cc1C)[*:1]
O=C(CC1CCN(C(=O)Nn2cnc3ccccc32)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(Nn1cnc2ccccc21)N1CCC(CC1)C[*:1]
O=C(CC1CCN(C(=O)Nn2cnc3ccccc32)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(Nn1cnc2ccccc21)N1CCC(CC1)[*:1]
CCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3cccs3)CC2)N1C(=O)c1ccccc1C CCC[*:1] Cc1ccccc1C(=O)N1[C@@H](COC12CCN(CC2)C(=O)c1cccs1)C(=O)N[*:1]
CCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3cccs3)CC2)N1C(=O)c1ccccc1C Cc1ccccc1[*:1] CCCNC(=O)[C@@H]1COC2(CCN(CC2)C(=O)c2cccs2)N1C(=O)[*:1]
CCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3cccs3)CC2)N1C(=O)c1ccccc1C c1csc(c1)[*:1] CCCNC(=O)[C@@H]1COC2(CCN(CC2)C(=O)[*:1])N1C(=O)c1ccccc1C
CCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3cccs3)CC2)N1C(=O)c1ccccc1C CCCNC(=O)[*:1] Cc1ccccc1C(=O)N1[C@@H](COC12CCN(CC2)C(=O)c1cccs1)[*:1]
Cc1cc(C)n(-c2nc(C)c(C)c(=O)n2CC(=O)N2CCCCCC2)n1 Cc1cc(C)n(n1)[*:1] Cc1nc(n(CC(=O)N2CCCCCC2)c(=O)c1C)[*:1]
C#C[C@@H](OC(=O)CCc1nc[nH]n1)C1CC1 c1nc(n[nH]1)[*:1] C#C[C@@H](OC(=O)CC[*:1])C1CC1
C#C[C@@H](OC(=O)CCc1nc[nH]n1)C1CC1 C1CC1[*:1] C#C[C@@H](OC(=O)CCc1nc[nH]n1)[*:1]
CCOC(=O)c1c(C)nsc1N[C@H]1CCC(=O)N(C)C1 CCOC(=O)[*:1] Cc1nsc(N[C@H]2CCC(=O)N(C)C2)c1[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)/N=c1\[nH]nc2ccccn12 c1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=C\C(=O)/N=c1\[nH]nc2ccccn12)[*:1]
COC[C@@H](O)CN(C)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C COC[C@@H](O)C[*:1] CC(C)=C[C@H]1[C@H](C(=O)N(C)[*:1])C1(C)C
COC[C@@H](O)CN(C)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C CC(C)=C[*:1] COC[C@@H](O)CN(C)C(=O)[C@H]1[C@H](C1(C)C)[*:1]
COC[C@@H](O)CN(C)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C COC[*:1] CC(C)=C[C@H]1[C@H](C(=O)N(C)C[C@H](O)[*:1])C1(C)C
COC[C@@H](O)CN(C)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C COC[C@@H](O)[*:1] CC(C)=C[C@H]1[C@H](C(=O)N(C)C[*:1])C1(C)C
C=C1C=C([O-])N2C(=NC(NCc3ccccc3)=[NH+][C@@H]2c2ccccc2OC)N1 c1ccc(cc1)C[*:1] C=C1C=C([O-])N2C(=NC(N[*:1])=[NH+][C@@H]2c2ccccc2OC)N1
C=C1C=C([O-])N2C(=NC(NCc3ccccc3)=[NH+][C@@H]2c2ccccc2OC)N1 c1ccc(cc1)[*:1] C=C1C=C([O-])N2C(=NC(NC[*:1])=[NH+][C@@H]2c2ccccc2OC)N1
C=C1C=C([O-])N2C(=NC(NCc3ccccc3)=[NH+][C@@H]2c2ccccc2OC)N1 COc1ccccc1[*:1] C=C1C=C([O-])N2C(=NC(NCc3ccccc3)=[NH+][C@H]2[*:1])N1
CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)C2=C(CCCC2=O)N1 CC(C)OC(=O)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1[*:1])c1ccncc1
CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)C2=C(CCCC2=O)N1 c1cc(ccn1)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)OC(C)C)[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)C2=C(CCCC2=O)N1 CC(C)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)O[*:1])c1ccncc1
CC[C@@H](C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@H](C(=O)NCc1ccc(cc1)[N+](=O)[O-])[*:1]
CC[C@@H](C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 CC[C@@H](C)[*:1] O=C(NCc1ccc(cc1)[N+](=O)[O-])[C@@H](c1ccccc1)[*:1]
CC[C@@H](C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 O=[N+]([O-])[*:1] CC[C@@H](C)[C@@H](C(=O)NCc1ccc(cc1)[*:1])c1ccccc1
CS(=O)(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] CS(=O)(=O)N1CCOC[C@@H]1[*:1]
CC[C@H](C)n1ncc(C(=O)Nc2cnc(Br)cn2)c1C1CC1 Brc1cnc(cn1)[*:1] CC[C@H](C)n1ncc(C(=O)N[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)Nc2cnc(Br)cn2)c1C1CC1 CC[C@H](C)[*:1] O=C(Nc1cnc(Br)cn1)c1cnn(c1C1CC1)[*:1]
CC[C@H](C)n1ncc(C(=O)Nc2cnc(Br)cn2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)Nc2cnc(Br)cn2)c1[*:1]
CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1cnc2ccccc2c1=O c1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCC(CC1)C[*:1])n1cnc2ccccc2c1=O
CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1cnc2ccccc2c1=O c1ccc(cc1)C[*:1] CC[C@@H](C(=O)N1CCC(CC1)[*:1])n1cnc2ccccc2c1=O
COc1ccc(OC)c(-c2csc(NC(=O)Nc3cc(Cl)ccc3OC)n2)c1 COc1ccc(Cl)cc1[*:1] COc1ccc(OC)c(c1)-c1csc(n1)NC(=O)N[*:1]
O=C1OCC[C@H]1S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1 O=C1OCC[C@H]1S[*:1] c1ccc2=C(C[NH+]=c2c1)C1=NN[C@@H](N1C1CC1)[*:1]
O=C1OCC[C@H]1S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1 O=C1OCC[C@@H]1[*:1] c1ccc2=C(C[NH+]=c2c1)C1=NN[C@H](S[*:1])N1C1CC1
O=C1OCC[C@H]1S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1 C1CC1[*:1] O=C1OCC[C@H]1S[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1[*:1]
COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1C c1ccc(cc1)[*:1] COc1ccc(cc1C)NC(=O)Cc1csc(n1)NC(=O)[*:1]
COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1C O=C(N[*:1])c1ccccc1 COc1ccc(cc1C)NC(=O)Cc1csc(n1)[*:1]
COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1C COc1ccc(cc1C)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccccc1)N[*:1]
CCN(CC[NH3+])C(=O)C1(CC(C)C)CCCC1 [NH3+]CC[*:1] CCN(C(=O)C1(CCCC1)CC(C)C)[*:1]
CCN(CC[NH3+])C(=O)C1(CC(C)C)CCCC1 CC(C)C[*:1] CCN(CC[NH3+])C(=O)C1(CCCC1)[*:1]
CCN(CC[NH3+])C(=O)C1(CC(C)C)CCCC1 CC(C)[*:1] CCN(CC[NH3+])C(=O)C1(CCCC1)C[*:1]
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N1C[C@H](C)C[C@@H](C)C1 CC(C)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)NCc1ccccc1CS(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N1C[C@H](C)C[C@@H](C)C1 CC(C)NS(=O)(=O)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)NCc1ccccc1[*:1]
CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N1C[C@H](C)C[C@@H](C)C1 CC(C)NS(=O)(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)NCc1ccccc1C[*:1]
O=C(CSc1nc(CCC2CCCC2)n[nH]1)NC(=O)Nc1ccccc1 C1CCC(C1)[*:1] O=C(CSc1nc(CC[*:1])n[nH]1)NC(=O)Nc1ccccc1
O=C(CSc1nc(CCC2CCCC2)n[nH]1)NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc(CCC2CCCC2)n[nH]1)NC(=O)N[*:1]
O=C(CSc1nc(CCC2CCCC2)n[nH]1)NC(=O)Nc1ccccc1 C1CCC(C1)C[*:1] O=C(CSc1nc(C[*:1])n[nH]1)NC(=O)Nc1ccccc1
O=C(CSc1nc(CCC2CCCC2)n[nH]1)NC(=O)Nc1ccccc1 C1CCC(C1)CC[*:1] O=C(CSc1nc(n[nH]1)[*:1])NC(=O)Nc1ccccc1
C[C@@H](NC(=O)COc1cccc(CO)c1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)COc1cccc(c1)CO)[*:1]
C[C@H](Nc1nccc(N2CCC(O)CC2)n1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](Nc1nccc(n1)N1CCC(O)CC1)c1ccc(cc1)[*:1]
C[C@H](Nc1nccc(N2CCC(O)CC2)n1)c1ccc(-n2cncn2)cc1 OC1CCN(CC1)[*:1] C[C@H](Nc1nccc(n1)[*:1])c1ccc(cc1)-n1cncn1
COC(=O)[C@@H](NC(=O)C1=CCCCO1)c1ccc(F)c(F)c1 COC(=O)[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])C1=CCCCO1
CCOC(=O)C1=C(CN2CCN(c3cccc[nH+]3)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 CCOC(=O)[*:1] O=C1NC(CN2CCN(CC2)c2cccc[nH+]2)=C([C@@H](N1)c1ccc(Cl)cc1)[*:1]
CCOC(=O)C1=C(CN2CCN(c3cccc[nH+]3)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)C1=C(CN2CCN(CC2)c2cccc[nH+]2)NC(=O)N[C@@H]1[*:1]
FO[C@H](NNc1ccccc1)C(F)F FC(F)[*:1] FO[C@H](NNc1ccccc1)[*:1]
Cc1cc(=O)oc2cc(OCc3csc(-c4ccc(C(N)=O)cc4)n3)ccc12 NC(=O)[*:1] Cc1cc(=O)oc2cc(ccc12)OCc1csc(n1)-c1ccc(cc1)[*:1]
Cc1cc(=O)oc2cc(OCc3csc(-c4ccc(C(N)=O)cc4)n3)ccc12 NC(=O)c1ccc(cc1)[*:1] Cc1cc(=O)oc2cc(ccc12)OCc1csc(n1)[*:1]
O=C1NC(=O)N(Cc2ccccc2)C(=O)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C1NC(=O)N(Cc2ccccc2)C(=O)[C@@H]1[*:1]
O=C1NC(=O)N(Cc2ccccc2)C(=O)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C1NC(=O)N(C[*:1])C(=O)[C@H]1c1ccccc1
O=C1NC(=O)N(Cc2ccccc2)C(=O)[C@H]1c1ccccc1 c1ccc(cc1)C[*:1] O=C1NC(=O)N(C(=O)[C@H]1c1ccccc1)[*:1]
C/C(=N\c1ccccn1)c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O c1ccc(nc1)[*:1] CC(=N[*:1])c1c(C)nn(-c2ccc(cc2)[N+](=O)[O-])c1O
C/C(=N\c1ccccn1)c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O O=[N+]([O-])[*:1] C/C(=N\c1ccccn1)c1c(C)nn(-c2ccc(cc2)[*:1])c1O
CCOc1cccc([C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 CS(=O)(=O)[*:1] CCOc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
CCOc1cccc([C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 CCO[*:1] C[C@@H](NC(=O)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)[*:1]
CC(C)c1nn(C)c(N2CCOCC2)c1CN1CC[NH+](C)CC12CCCCC2 C1CN(CCO1)[*:1] CC(C)c1nn(C)c(c1CN1CC[NH+](C)CC12CCCCC2)[*:1]
CC(C)c1nn(C)c(N2CCOCC2)c1CN1CC[NH+](C)CC12CCCCC2 CC(C)[*:1] Cn1nc(c(CN2CC[NH+](C)CC23CCCCC3)c1N1CCOCC1)[*:1]
Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)CC(=O)NCC2CC2)n1 O=C(C[*:1])NCC1CC1 Cc1ccccc1-c1noc(n1)[C@@H](C)S(=O)(=O)[*:1]
Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)CC(=O)NCC2CC2)n1 C1CC1C[*:1] Cc1ccccc1-c1noc(n1)[C@@H](C)S(=O)(=O)CC(=O)N[*:1]
Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)CC(=O)NCC2CC2)n1 Cc1ccccc1[*:1] C[C@H](c1nc(no1)[*:1])S(=O)(=O)CC(=O)NCC1CC1
Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)CC(=O)NCC2CC2)n1 C1CC1[*:1] Cc1ccccc1-c1noc(n1)[C@@H](C)S(=O)(=O)CC(=O)NC[*:1]
Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)CC(=O)NCC2CC2)n1 O=C(NCC1CC1)[*:1] Cc1ccccc1-c1noc(n1)[C@@H](C)S(=O)(=O)C[*:1]
CC[C@H]1C(=O)NC(=O)C[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CC[C@H]1C(=O)NC(=O)C[C@H]1c1ccccc1[*:1]
Cc1cc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(C)c(C)c4)c(=O)n32)no1 Cc1ccc(cc1C)[*:1] Cc1cc(no1)NC(=O)C[C@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
Cc1cc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(C)c(C)c4)c(=O)n32)no1 Cc1cc(no1)NC(=O)[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3C[*:1]
Cc1cc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(C)c(C)c4)c(=O)n32)no1 Cc1cc(no1)NC(=O)C[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3[*:1]
Cc1cc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(C)c(C)c4)c(=O)n32)no1 Cc1cc(no1)[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)N[*:1]
CCN(c1ncc([N+](=O)[O-])cc1Br)[C@@H](C)CC(=O)[O-] O=[N+]([O-])[*:1] CCN(c1ncc(cc1Br)[*:1])[C@@H](C)CC(=O)[O-]
CCN(c1ncc([N+](=O)[O-])cc1Br)[C@@H](C)CC(=O)[O-] O=C([O-])C[*:1] CCN(c1ncc(cc1Br)[N+](=O)[O-])[C@@H](C)[*:1]
CCN(c1ncc([N+](=O)[O-])cc1Br)[C@@H](C)CC(=O)[O-] O=C([O-])[*:1] CCN(c1ncc(cc1Br)[N+](=O)[O-])[C@@H](C)C[*:1]
O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(F)c(F)c1 Fc1cc(ccc1Cl)[*:1] O=C(N[C@H]1CCO[C@@H]1[*:1])c1ccc(F)c(F)c1
O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[*:1]
O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(C[C@@H]2CCCO2)nn1 O=C1CCCN1[*:1] O=C(NCc1ccc(cc1)[*:1])c1cn(C[C@@H]2CCCO2)nn1
NC(=O)c1ccc(C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(Nc1ccccc1NC12CC3CC(CC(C3)C1)C2)[*:1]
NC(=O)c1ccc(C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)cc1 NC(=O)[*:1] O=C(Nc1ccccc1NC12CC3CC(CC(C3)C1)C2)c1ccc(cc1)[*:1]
NC(=O)COc1ccc(C=O)nc1 NC(=O)C[*:1] O=Cc1ccc(cn1)O[*:1]
NC(=O)COc1ccc(C=O)nc1 NC(=O)[*:1] O=Cc1ccc(cn1)OC[*:1]
Cc1cn(CC(=O)N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)c(=O)[nH]c1=O NC(=O)[*:1] Cc1cn(CC(=O)N2CC[C@@H](Cc3cccc(c3)[*:1])C2)c(=O)[nH]c1=O
Cc1cn(CC(=O)N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)c(=O)[nH]c1=O Cc1cn(c(=O)[nH]c1=O)[*:1] NC(=O)c1cccc(c1)C[C@@H]1CCN(C1)C(=O)C[*:1]
Cc1cn(CC(=O)N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)c(=O)[nH]c1=O NC(=O)c1cccc(c1)[*:1] Cc1cn(CC(=O)N2CC[C@H](C2)C[*:1])c(=O)[nH]c1=O
Cc1nc(CNC(=O)N2CCc3c(F)ccc(F)c3C2)sc1C Cc1nc(sc1C)[*:1] O=C(NC[*:1])N1CCc2c(F)ccc(F)c2C1
Cc1nccn1-c1ccccc1CNC(=O)C[C@H]1NC(=O)c2ccccc21 Cc1nccn1[*:1] O=C(C[C@H]1NC(=O)c2ccccc21)NCc1ccccc1[*:1]
Cc1ccc(CNC(=O)N/C=C(\[O-])N2CCc3ccccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(N/C=C(\[O-])N1CCc2ccccc21)N[*:1]
Cc1ccc(CNC(=O)N/C=C(\[O-])N2CCc3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(N/C=C(\[O-])N1CCc2ccccc21)NC[*:1]
COC[C@H](O)CC[NH2+][C@H](C)C(C)(C)C CC(C)(C)[*:1] COC[C@H](O)CC[NH2+][C@H](C)[*:1]
COC[C@H](O)CC[NH2+][C@H](C)C(C)(C)C COC[*:1] C[C@@H]([NH2+]CC[C@@H](O)[*:1])C(C)(C)C
CN(C(=O)c1ccc[nH]c1=O)[C@@H]1CCc2ccccc2C1 O=c1[nH]cccc1[*:1] CN(C(=O)[*:1])[C@@H]1CCc2ccccc2C1
COc1cccc([C@H](CNC(=O)Cc2ccccc2Cl)N2CCOCC2)c1 COc1cccc(c1)[*:1] O=C(Cc1ccccc1Cl)NC[C@H](N1CCOCC1)[*:1]
COc1cccc([C@H](CNC(=O)Cc2ccccc2Cl)N2CCOCC2)c1 Clc1ccccc1[*:1] COc1cccc(c1)[C@H](CNC(=O)C[*:1])N1CCOCC1
COc1cccc([C@H](CNC(=O)Cc2ccccc2Cl)N2CCOCC2)c1 Clc1ccccc1C[*:1] COc1cccc(c1)[C@H](CNC(=O)[*:1])N1CCOCC1
COc1cccc([C@H](CNC(=O)Cc2ccccc2Cl)N2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)[C@H](CNC(=O)Cc1ccccc1Cl)[*:1]
C[C@@H](OCC1CC1)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 C1CC1[*:1] C[C@@H](OC[*:1])C(=O)N1CCO[C@@H](C1)c1cccc(c1)OC(F)F
C[C@@H](OCC1CC1)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 C1CC1C[*:1] C[C@@H](O[*:1])C(=O)N1CCO[C@@H](C1)c1cccc(c1)OC(F)F
C[C@@H](OCC1CC1)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] C[C@@H](OCC1CC1)C(=O)N1CCO[C@@H](C1)c1cccc(c1)[*:1]
C[C@@H](OCC1CC1)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 C1CC1CO[*:1] C[C@@H](C(=O)N1CCO[C@@H](C1)c1cccc(c1)OC(F)F)[*:1]
C[C@@H](OCC1CC1)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 C[C@@H](OCC1CC1)[*:1] O=C(N1CCO[C@@H](C1)c1cccc(c1)OC(F)F)[*:1]
C[C@@H](OCC1CC1)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 FC(F)[*:1] C[C@@H](OCC1CC1)C(=O)N1CCO[C@@H](C1)c1cccc(c1)O[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-n3cccc3)ccc2Cl)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1cc(ccc1Cl)-n1cccc1
NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-n3cccc3)ccc2Cl)cc1 c1ccn(c1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)c1cc(ccc1Cl)[*:1]
O=C(N/N=C\c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(NN=C[*:1])c1ccc(Cl)cc1
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)N1CCOCC1 CCN(CC)C(=O)[*:1] [NH3+][C@@H]1C[C@H](N(C1)S(=O)(=O)N1CCOCC1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2F)[C@@H]([NH3+])C1 Fc1ccccc1[*:1] CC(C)(C)OC(=O)N1CC[C@H]([C@@H]([NH3+])C1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2F)[C@@H]([NH3+])C1 CC(C)(C)[*:1] [NH3+][C@H]1CN(CC[C@@H]1c1ccccc1F)C(=O)O[*:1]
COc1ccc(OC)c([C@@H](Br)[C@H](C)c2ccncc2)c1 c1cc(ccn1)[*:1] COc1ccc(OC)c(c1)[C@@H](Br)[C@H](C)[*:1]
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccco2)c(C)c1 c1coc(c1)[*:1] CCS(=O)(=O)[N-]c1ccc(c(C)c1)S(=O)(=O)NC[*:1]
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccco2)c(C)c1 c1coc(c1)C[*:1] CCS(=O)(=O)[N-]c1ccc(c(C)c1)S(=O)(=O)N[*:1]
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccccc3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)NNC(=O)c2ccccc2)C1=O)[*:1]
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)[*:1])C1=O
COCC(=O)N1CCO[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 COC[*:1] CN(C)C(=O)[C@@]1(Cc2ccc(cc2)-c2cccs2)CN(CCO1)C(=O)[*:1]
COCC(=O)N1CCO[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 c1csc(c1)[*:1] COCC(=O)N1CCO[C@](Cc2ccc(cc2)[*:1])(C1)C(=O)N(C)C
COCC(=O)N1CCO[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 CN(C)C(=O)[*:1] COCC(=O)N1CCO[C@@](Cc2ccc(cc2)-c2cccs2)(C1)[*:1]
CCN(CC)C(=O)/C(=C\c1ccccc1F)NC(=O)c1ccc(C)cc1 Fc1ccccc1[*:1] CCN(CC)C(=O)C(=C[*:1])NC(=O)c1ccc(C)cc1
CCN(CC)C(=O)/C(=C\c1ccccc1F)NC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)/C(=C\c1ccccc1F)NC(=O)[*:1]
CCN(CC)C(=O)/C(=C\c1ccccc1F)NC(=O)c1ccc(C)cc1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)C(=O)N/C(=C/c1ccccc1F)[*:1]
CCn1nc(C)c(Cl)c1C[C@@H](C[NH2+]C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCn1nc(C)c(Cl)c1C[C@@H](C[NH2+]C)[*:1]
CC(C)C(=O)N1CCC[C@H]1C(=O)Oc1ccc(Cl)c(Cl)c1 CC(C)[*:1] O=C(Oc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN1C(=O)[*:1]
C[NH+](C)CCN(Cc1ccco1)C(=O)Cn1nc2ccccn2c1=O c1coc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Cn1nc2ccccn2c1=O
C[NH+](C)CCN(Cc1ccco1)C(=O)Cn1nc2ccccn2c1=O c1coc(c1)C[*:1] C[NH+](C)CCN(C(=O)Cn1nc2ccccn2c1=O)[*:1]
COc1cc(OC)c([C@H]2CC[NH2+][C@H]2C(=O)[O-])cc1OC O=C([O-])[*:1] COc1cc(OC)c(cc1OC)[C@H]1CC[NH2+][C@@H]1[*:1]
C=C(Br)CNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O C=C(Br)[*:1] C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NC[*:1])C2=O
C=C(Br)CNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O C=C(Br)C[*:1] C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N[*:1])C2=O
C=C(Br)CNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O C=C(Br)CNC(=O)[*:1] C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(C[*:1])C2=O
Cc1ccc(C(=O)OC2CCN(C(=O)c3ccccc3F)CC2)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(c1ccccc1F)N1CCC(CC1)OC(=O)[*:1]
Cc1ccc(C(=O)OC2CCN(C(=O)c3ccccc3F)CC2)c(F)c1 Fc1ccccc1[*:1] Cc1ccc(C(=O)OC2CCN(CC2)C(=O)[*:1])c(F)c1
O=c1[nH]nc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)[nH]1 O=c1[nH]nc([nH]1)[*:1] Clc1ccc(cc1Cl)[C@@H]1CN(CCO1)C[*:1]
O=c1[nH]nc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)[nH]1 O=c1[nH]nc(C[*:1])[nH]1 Clc1ccc(cc1Cl)[C@@H]1CN(CCO1)[*:1]
CCN(C(=O)CS(=O)(=O)NC)[C@H](C)c1cccc(OC)c1 CNS(=O)(=O)[*:1] CCN(C(=O)C[*:1])[C@H](C)c1cccc(c1)OC
CCN(C(=O)CS(=O)(=O)NC)[C@H](C)c1cccc(OC)c1 CNS(=O)(=O)C[*:1] CCN(C(=O)[*:1])[C@H](C)c1cccc(c1)OC
Cc1cccc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2C)c1 Cc1c(Cl)cccc1[*:1] Cc1cccc(c1)-n1nnnc1SCC(=O)N[*:1]
Cc1cccc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2C)c1 Cc1cccc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)CSc1nnnn1[*:1]
O=C(Cc1ccccc1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 c1ccc(cc1)[*:1] O=C(C[*:1])N1CC(=O)N2CCc3ccccc3[C@@H]2C1
O=C(Cc1ccccc1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 c1ccc(cc1)C[*:1] O=C1CN(C[C@H]2c3ccccc3CCN12)C(=O)[*:1]
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2 CC[C@H](C)[*:1] CC(=O)N1CCOc2ccc(cc21)S(=O)(=O)N[*:1]
Cc1ccc(C)c(NC(=S)N(Cc2cccnc2)Cc2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=S)N(Cc1cccnc1)C[*:1]
Cc1ccc(C)c(NC(=S)N(Cc2cccnc2)Cc2ccccc2F)c1 c1cncc(c1)[*:1] Cc1ccc(C)c(c1)NC(=S)N(Cc1ccccc1F)C[*:1]
Cc1ccc(C)c(NC(=S)N(Cc2cccnc2)Cc2ccccc2F)c1 Cc1ccc(C)c(c1)[*:1] Fc1ccccc1CN(Cc1cccnc1)C(=S)N[*:1]
Cc1ccc(C)c(NC(=S)N(Cc2cccnc2)Cc2ccccc2F)c1 c1cncc(c1)C[*:1] Cc1ccc(C)c(c1)NC(=S)N(Cc1ccccc1F)[*:1]
Cc1ccc(C)c(NC(=S)N(Cc2cccnc2)Cc2ccccc2F)c1 Fc1ccccc1C[*:1] Cc1ccc(C)c(c1)NC(=S)N(Cc1cccnc1)[*:1]
CC(C)c1ccc(C(=O)CSc2n[nH]c(N)n2)cc1 Nc1nc(n[nH]1)[*:1] CC(C)c1ccc(cc1)C(=O)CS[*:1]
CC(C)c1ccc(C(=O)CSc2n[nH]c(N)n2)cc1 CC(C)[*:1] Nc1nc(n[nH]1)SCC(=O)c1ccc(cc1)[*:1]
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCC(=O)O1 O=C1CC[C@H](O1)[*:1] C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)[*:1]
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCC(=O)O1 Clc1ccc(cc1)[*:1] C[C@@H]([C@H](C)[*:1])N(C)C(=O)[C@@H]1CCC(=O)O1
Cn1cc(-c2nc(-c3cccc(Br)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 C1CN(CCO1)[*:1] Cn1cc(-c2nc(no2)-c2cccc(Br)c2)c(=O)c2cc(F)c(cc21)[*:1]
Cn1cc(-c2nc(-c3cccc(Br)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 Brc1cccc(c1)[*:1] Cn1cc(-c2nc(no2)[*:1])c(=O)c2cc(F)c(cc21)N1CCOCC1
O=C(c1cccs1)N1CCC[C@H](C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 c1csc(c1)[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N(Cc1ccc(cc1)C(F)(F)F)C1CC1
O=C(c1cccs1)N1CCC[C@H](C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 FC(F)(F)[*:1] O=C(c1cccs1)N1CCC[C@@H](C1)C(=O)N(Cc1ccc(cc1)[*:1])C1CC1
O=C(c1cccs1)N1CCC[C@H](C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 FC(F)(F)c1ccc(cc1)[*:1] O=C(c1cccs1)N1CCC[C@@H](C1)C(=O)N(C[*:1])C1CC1
O=C(c1cccs1)N1CCC[C@H](C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 C1CC1[*:1] O=C(c1cccs1)N1CCC[C@@H](C1)C(=O)N(Cc1ccc(cc1)C(F)(F)F)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]CC[S@@](C)=O c1cncc(c1)[*:1] Cc1nn(C)c(O[*:1])c1C[NH2+]CC[S@@](C)=O
Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]CC[S@@](C)=O c1cncc(c1)O[*:1] Cc1nn(C)c(c1C[NH2+]CC[S@@](C)=O)[*:1]
Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1cccnc1 Brc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)c1cccnc1
Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1cccnc1 Brc1ccc(cc1)C[*:1] Cc1nn(c(C)c1NC(=O)c1cccnc1)[*:1]
Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1cccnc1 c1cncc(c1)[*:1] Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)[*:1]
Cc1csc([C@@H](C)NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)n1 Cc1csc(n1)[*:1] CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)[*:1]
Cc1csc([C@@H](C)NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)n1 Clc1cccc(c1)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)[C@H](O[*:1])C(C)C
Cc1csc([C@@H](C)NC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)n1 CC(C)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)[C@H](Oc1cccc(Cl)c1)[*:1]
O=C(NC[C@H]1CCCO1)[C@@H](CC1=c2ccccc2=[NH+]C1)N1C(=O)c2ccccc2N[C@H]1O O=C(NC[C@H]1CCCO1)[*:1] O=C1c2ccccc2N[C@@H](O)N1[C@H](CC1C[NH+]=c2ccccc2=1)[*:1]
O=C(NC[C@H]1CCCO1)[C@@H](CC1=c2ccccc2=[NH+]C1)N1C(=O)c2ccccc2N[C@H]1O C1CO[C@H](C1)C[*:1] O=C(N[*:1])[C@@H](CC1C[NH+]=c2ccccc2=1)N1C(=O)c2ccccc2N[C@H]1O
O=C(NC[C@H]1CCCO1)[C@@H](CC1=c2ccccc2=[NH+]C1)N1C(=O)c2ccccc2N[C@H]1O C1CO[C@H](C1)[*:1] O=C(NC[*:1])[C@@H](CC1C[NH+]=c2ccccc2=1)N1C(=O)c2ccccc2N[C@H]1O
NC(=O)c1oc2ccccc2c1NC(=O)[C@H]1SCCc2sccc21 NC(=O)[*:1] O=C(Nc1c(oc2ccccc12)[*:1])[C@H]1SCCc2sccc21
Cc1ccc(C)c(-n2c(N)c(C(=O)NC3CCCC3)sc2=S)c1 C1CCC(C1)[*:1] Cc1ccc(C)c(c1)-n1c(N)c(sc1=S)C(=O)N[*:1]
CCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)CCC(C)C)CC1 CC(C)CC[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)N[C@H](C)[*:1]
CCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)CCC(C)C)CC1 CC(C)[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)N[C@H](C)CC[*:1]
CCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)CCC(C)C)CC1 CC(C)C[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)N[C@H](C)C[*:1]
CCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)CCC(C)C)CC1 CC(C)CC[C@@H](C)[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)N[*:1]
CCCOC[C@@H]1CCN(C(=O)Cn2c(C)cc(=O)c3ccccc32)C1 CCCO[*:1] Cc1cc(=O)c2ccccc2n1CC(=O)N1CC[C@H](C1)C[*:1]
CCCOC[C@@H]1CCN(C(=O)Cn2c(C)cc(=O)c3ccccc32)C1 CCC[*:1] Cc1cc(=O)c2ccccc2n1CC(=O)N1CC[C@@H](CO[*:1])C1
CCCOC[C@@H]1CCN(C(=O)Cn2c(C)cc(=O)c3ccccc32)C1 CCCOC[*:1] Cc1cc(=O)c2ccccc2n1CC(=O)N1CC[C@H](C1)[*:1]
CNC(=O)c1ccc(C[NH2+][C@@H](c2cccnc2)C(C)C)cc1 CNC(=O)[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1cccnc1
CNC(=O)c1ccc(C[NH2+][C@@H](c2cccnc2)C(C)C)cc1 c1cncc(c1)[*:1] CNC(=O)c1ccc(cc1)C[NH2+][C@@H](C(C)C)[*:1]
CNC(=O)c1ccc(C[NH2+][C@@H](c2cccnc2)C(C)C)cc1 CC(C)[*:1] CNC(=O)c1ccc(cc1)C[NH2+][C@@H](c1cccnc1)[*:1]
Cc1nc2ccccc2n1C[C@H](O)COCc1ccccc1Cl Clc1ccccc1[*:1] Cc1nc2ccccc2n1C[C@H](O)COC[*:1]
CC(C)c1ccc(C[NH+]2CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC2)cc1 CC(C)c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1CC[NH+](CC1)C[*:1])C(=O)N(C)C
CC(C)c1ccc(C[NH+]2CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC2)cc1 C[C@H](C(=O)N(C)C)[*:1] CC(C)c1ccc(cc1)C[NH+]1CCN(CC1)CC(=O)N[*:1]
CC(C)c1ccc(C[NH+]2CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC2)cc1 CC(C)[*:1] C[C@@H](NC(=O)CN1CC[NH+](CC1)Cc1ccc(cc1)[*:1])C(=O)N(C)C
CC(C)c1ccc(C[NH+]2CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC2)cc1 CN(C)C(=O)[*:1] CC(C)c1ccc(cc1)C[NH+]1CCN(CC1)CC(=O)N[C@H](C)[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC2(CCCO2)CC1 Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)N1CCC2(CCCO2)CC1)[*:1]
O=C(Oc1ccc2c(c1)OCO2)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O c1cc(ccn1)C[*:1] O=C(Oc1ccc2OCOc2c1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C(Oc1ccc2c(c1)OCO2)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O c1cc(ccn1)[*:1] O=C(Oc1ccc2OCOc2c1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
O=C(Oc1ccc2c(c1)OCO2)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O c1cc2OCOc2cc1[*:1] O=C(O[*:1])c1ccc2C(=O)N(Cc3ccncc3)C(=O)c2c1
CC(=O)c1cccc(S(=O)(=O)Nc2cccc(-c3ccn[nH]3)c2)c1 CC(=O)[*:1] O=S(=O)(Nc1cccc(c1)-c1ccn[nH]1)c1cccc(c1)[*:1]
CC(=O)c1cccc(S(=O)(=O)Nc2cccc(-c3ccn[nH]3)c2)c1 c1cc([nH]n1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(c1)[*:1]
Fc1cccc2ncnc(N3CCN(Cc4ccon4)CC3)c12 c1cc(C[*:1])no1 Fc1cccc2ncnc(c12)N1CCN(CC1)[*:1]
Fc1cccc2ncnc(N3CCN(Cc4ccon4)CC3)c12 c1cc(no1)[*:1] Fc1cccc2ncnc(c12)N1CCN(CC1)C[*:1]
CC[NH2+][C@H](c1cccc(OC(C)C)c1)c1cc(C)ccn1 Cc1ccnc(c1)[*:1] CC[NH2+][C@H](c1cccc(c1)OC(C)C)[*:1]
CC[NH2+][C@H](c1cccc(OC(C)C)c1)c1cc(C)ccn1 CC(C)O[*:1] CC[NH2+][C@H](c1cccc(c1)[*:1])c1cc(C)ccn1
CC[NH2+][C@H](c1cccc(OC(C)C)c1)c1cc(C)ccn1 CC(C)[*:1] CC[NH2+][C@H](c1cccc(c1)O[*:1])c1cc(C)ccn1
CS(=O)(=O)c1nc(C(=O)NCC(C2CC2)C2CC2)c2ccccn12 C1CC1C(C[*:1])C1CC1 CS(=O)(=O)c1nc(C(=O)N[*:1])c2ccccn12
CS(=O)(=O)c1nc(C(=O)NCC(C2CC2)C2CC2)c2ccccn12 C1CC1[*:1] CS(=O)(=O)c1nc(C(=O)NCC(C2CC2)[*:1])c2ccccn12
CS(=O)(=O)c1nc(C(=O)NCC(C2CC2)C2CC2)c2ccccn12 CS(=O)(=O)[*:1] O=C(NCC(C1CC1)C1CC1)c1nc(n2ccccc12)[*:1]
CS(=O)(=O)c1nc(C(=O)NCC(C2CC2)C2CC2)c2ccccn12 C1CC1C(C1CC1)[*:1] CS(=O)(=O)c1nc(C(=O)NC[*:1])c2ccccn12
O=C(N[C@@H]1CCS(=O)(=O)C1)c1sc2cccc(Cl)c2c1Cl O=S1(=O)CC[C@H](C1)[*:1] O=C(N[*:1])c1sc2cccc(Cl)c2c1Cl
CCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O CCC[C@H](C)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1cccs1
CCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O CCC[*:1] C[C@H](NC(=O)CN1C(=O)N[C@](C)(C1=O)c1cccs1)[*:1]
CCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2cccs2)C1=O c1csc(c1)[*:1] CCC[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1ccc(-c2n[nH]cc2CNc2ccc3c(c2)COC3)o1 Cc1ccc(o1)[*:1] c1cc2COCc2cc1NCc1c[nH]nc1[*:1]
COc1ccc(CC(=O)N[C@H](C)c2cc3ccccc3o2)c(OC)c1OC c1ccc2oc(cc2c1)[*:1] COc1ccc(CC(=O)N[C@H](C)[*:1])c(OC)c1OC
CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)nc([O-])c32)cc1OC Clc1ccc(cc1)[*:1] CCOc1ccc(cc1OC)[C@@H]1CC(=O)Nc2nc(nc([O-])c21)SC[*:1]
CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)nc([O-])c32)cc1OC Clc1ccc(cc1)CS[*:1] CCOc1ccc(cc1OC)[C@@H]1CC(=O)Nc2nc(nc([O-])c21)[*:1]
CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)nc([O-])c32)cc1OC Clc1ccc(cc1)C[*:1] CCOc1ccc(cc1OC)[C@@H]1CC(=O)Nc2nc(nc([O-])c21)S[*:1]
CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)nc([O-])c32)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1CC(=O)Nc2nc(nc([O-])c21)SCc1ccc(Cl)cc1
Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[*:1])NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2
Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1NC(=O)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 Cc1ccc(cc1[*:1])NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2
Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1NC(=O)c1ccc(Cl)cc1 O=C([O-])[*:1] Cc1ccc(cc1NC(=O)c1ccc(Cl)cc1)NC(=O)[C@@H]1[C@@H]([C@@H]2C=C[C@H]1C2)[*:1]
O=C1COc2cc(S(=O)(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)c(Cl)cc2N1 Fc1cccc(c1)[*:1] O=C1COc2cc(c(Cl)cc2N1)S(=O)(=O)N[C@@H]1C[C@@H]1[*:1]
O=C(NNC(=O)[C@H]1CCCO1)c1cc2c(s1)CCCCCC2 C1CO[C@H](C1)[*:1] O=C(NNC(=O)[*:1])c1cc2CCCCCCc2s1
CCN(Cc1ncn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(Cc1ncn(n1)-c1ccccc1)[*:1]
CCN(Cc1ncn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCN(Cc1ncn(n1)[*:1])[C@H]1CCS(=O)(=O)C1
CSCC[C@@H](NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] CSC[*:1] C[C@@]1(Oc2ccccc2NC1=O)C(=O)N[C@H](C[*:1])C(=O)[O-]
CSCC[C@@H](NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] O=C([O-])[*:1] CSCC[C@@H](NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)[*:1]
CSCC[C@@H](NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)C(=O)[O-] CSCC[*:1] C[C@@]1(Oc2ccccc2NC1=O)C(=O)N[C@@H](C(=O)[O-])[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)Nc1n[nH]c([C@@H]2CCCO2)n1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)Nc1n[nH]c(n1)[C@@H]1CCCO1)[*:1]
C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1C)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1C)c1ccc(cc1)[*:1]
Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1ccc(C#N)cc1NC(=O)N[C@H](C)[*:1]
CC[C@@H](C)n1ncc(C(=O)OC[C@@H]2CCCO2)c1C1CC1 C1CO[C@@H](C1)C[*:1] CC[C@@H](C)n1ncc(C(=O)O[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)OC[C@@H]2CCCO2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)OC[C@@H]2CCCO2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)OC[C@@H]2CCCO2)c1C1CC1 CC[C@@H](C)[*:1] O=C(OC[C@@H]1CCCO1)c1cnn(c1C1CC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)OC[C@@H]2CCCO2)c1C1CC1 C1CO[C@@H](C1)[*:1] CC[C@@H](C)n1ncc(C(=O)OC[*:1])c1C1CC1
O=C(NCc1ccc(C(=O)N2CCCC2)cc1)NC1CCCCC1 O=C(N1CCCC1)[*:1] O=C(NCc1ccc(cc1)[*:1])NC1CCCCC1
O=C(NCc1ccc(C(=O)N2CCCC2)cc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NCc1ccc(cc1)C(=O)N1CCCC1)N[*:1]
CC1(C)[C@](C)(C(=O)[O-])CC[C@@]1(C)C(=O)N1CCc2ccccc2C1 O=C([O-])[*:1] CC1(C)[C@@](C)(CC[C@]1(C)[*:1])C(=O)N1CCc2ccccc2C1
C=C[C@@H](C)Oc1cnc2ccccc2c1C(=O)[O-] O=C([O-])[*:1] C=C[C@@H](C)Oc1cnc2ccccc2c1[*:1]
C[C@@]1(CO)CCC[C@@H]1Nc1nccc(OCc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@]1(CO)CCC[C@@H]1Nc1nccc(n1)OC[*:1]
C[C@@]1(CO)CCC[C@@H]1Nc1nccc(OCc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@@]1(CO)CCC[C@@H]1Nc1nccc(n1)O[*:1]
Cc1cc(CS(=O)(=O)c2nncn2-c2ccccc2C)on1 Cc1ccccc1[*:1] Cc1cc(CS(=O)(=O)c2nncn2[*:1])on1
Cc1cc(CS(=O)(=O)c2nncn2-c2ccccc2C)on1 Cc1cc(on1)[*:1] Cc1ccccc1-n1cnnc1S(=O)(=O)C[*:1]
Cc1cc(CS(=O)(=O)c2nncn2-c2ccccc2C)on1 Cc1cc(C[*:1])on1 Cc1ccccc1-n1cnnc1S(=O)(=O)[*:1]
CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2cnn(C)c2)c(C)n1 CCn1cc(c(C)n1)[*:1] Cn1cc(cn1)[C@H]1CCCCCN1S(=O)(=O)[*:1]
CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2cnn(C)c2)c(C)n1 Cn1cc(cn1)[*:1] CCn1cc(c(C)n1)S(=O)(=O)N1CCCCC[C@H]1[*:1]
CCNc1nnc(S(=O)(=O)Cc2ccc(C#N)cc2)s1 CCN[*:1] N#Cc1ccc(cc1)CS(=O)(=O)c1nnc(s1)[*:1]
[NH3+]CCCOC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 O=[N+]([O-])[*:1] [NH3+]CCCOC1CCN(CC1)c1ncc(cn1)[*:1]
[NH3+]CCCOC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 [NH3+]CCCO[*:1] O=[N+]([O-])c1cnc(nc1)N1CCC(CC1)[*:1]
[NH3+]CCCOC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 [NH3+]CC[*:1] O=[N+]([O-])c1cnc(nc1)N1CCC(CC1)OC[*:1]
[NH3+]CCCOC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 [NH3+]CCC[*:1] O=[N+]([O-])c1cnc(nc1)N1CCC(CC1)O[*:1]
O=C(CNC(=O)c1cc(-c2ccccc2)on1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1cc(on1)[*:1])N[C@@H]1CCCc2c1cnn2Cc1ccccc1
O=C(CNC(=O)c1cc(-c2ccccc2)on1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1cc(on1)-c1ccccc1)N[C@@H]1CCCc2c1cnn2C[*:1]
O=C(CNC(=O)c1cc(-c2ccccc2)on1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)c1cc(on1)-c1ccccc1)N[C@@H]1CCCc2c1cnn2[*:1]
O=C(CNC(=O)c1cc(-c2ccccc2)on1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)-c1cc(no1)[*:1] O=C(CNC(=O)[*:1])N[C@@H]1CCCc2c1cnn2Cc1ccccc1
CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 CC(C)[*:1] CSc1ncnc2c1sc1nc(c3CCCc3c12)[*:1]
Cc1ccc2c(c1)N(C(=O)C[C@@H](O)c1ccc(Cl)cc1)C[C@@H](C)O2 Clc1ccc(cc1)[*:1] Cc1ccc2O[C@H](C)CN(C(=O)C[C@@H](O)[*:1])c2c1
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 c1cc(ccn1)[*:1] O=[N+]([O-])c1ccc(cc1)CSc1nnc(n1-c1ccc(F)cc1)[*:1]
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 O=[N+]([O-])[*:1] Fc1ccc(cc1)-n1c(nnc1-c1ccncc1)SCc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Fc1ccc(cc1)-n1c(nnc1-c1ccncc1)SC[*:1]
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)CSc1nnc(-c2ccncc2)n1[*:1]
Cc1ccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nn2)o1 CC(C)(C)S(=O)(=O)[*:1] Cc1ccc(CNc2ccc(nn2)[*:1])o1
Cc1ccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nn2)o1 Cc1ccc(C[*:1])o1 CC(C)(C)S(=O)(=O)c1ccc(nn1)N[*:1]
Cc1ccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nn2)o1 CC(C)(C)[*:1] Cc1ccc(CNc2ccc(nn2)S(=O)(=O)[*:1])o1
Cc1ccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nn2)o1 Cc1ccc(o1)[*:1] CC(C)(C)S(=O)(=O)c1ccc(nn1)NC[*:1]
C[NH+](C)C[C@@H]1C[C@@H](O)CN1c1ccc(C(N)=O)cn1 NC(=O)[*:1] C[NH+](C)C[C@@H]1C[C@@H](O)CN1c1ccc(cn1)[*:1]
COC(=O)/C(=N/Nc1ccc(Cl)cc1)Sc1nnnn1-c1ccccc1 Clc1ccc(cc1)[*:1] COC(=O)/C(=N/N[*:1])Sc1nnnn1-c1ccccc1
COC(=O)/C(=N/Nc1ccc(Cl)cc1)Sc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] COC(=O)/C(=N/Nc1ccc(Cl)cc1)Sc1nnnn1[*:1]
C/C(=C\c1ccccc1)C[NH+]1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] C/C(=C\c1ccccc1)C[NH+]1CCN(CC1)[C@H](C)C(=O)N[*:1]
C/C(=C\c1ccccc1)C[NH+]1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 CC(=Cc1ccccc1)[*:1] C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CC1)C[*:1]
C/C(=C\c1ccccc1)C[NH+]1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 c1ccc(cc1)[*:1] CC(=C[*:1])C[NH+]1CCN(CC1)[C@H](C)C(=O)Nc1cccc(F)c1
CCc1ccc(C[NH2+][C@@H](CC)c2nccs2)cc1 c1csc(n1)[*:1] CCc1ccc(cc1)C[NH2+][C@@H](CC)[*:1]
Cc1nn(C(F)F)c(C)c1CC(=O)NCC(=O)OC1CCCCC1 FC(F)[*:1] Cc1nn(c(C)c1CC(=O)NCC(=O)OC1CCCCC1)[*:1]
Cc1nn(C(F)F)c(C)c1CC(=O)NCC(=O)OC1CCCCC1 C1CCC(CC1)[*:1] Cc1nn(c(C)c1CC(=O)NCC(=O)O[*:1])C(F)F
Cc1ccc(C(=O)NNc2ncnc(N3CCc4ccccc4C3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)NNc1ncnc(c1[*:1])N1CCc2ccccc2C1
Cc1ccc(C(=O)NNc2ncnc(N3CCc4ccccc4C3)c2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])N1CCc2ccccc2C1)[*:1]
Cc1ccc(C(=O)NNc2ncnc(N3CCc4ccccc4C3)c2[N+](=O)[O-])cc1 c1ccc2CN(CCc2c1)[*:1] Cc1ccc(cc1)C(=O)NNc1ncnc(c1[N+](=O)[O-])[*:1]
CCCc1cc(C(=O)NCC2(O)CCOCC2)[nH]n1 CCC[*:1] O=C(NCC1(O)CCOCC1)c1cc(n[nH]1)[*:1]
COc1ccc(C(=O)[C@@H](C)Sc2nc3nc(C)cc(C)n3n2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)n2nc(nc2n1)S[C@H](C)C(=O)[*:1]
O=C(CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
O=C(CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC(=O)[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
O=C(CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 c1coc(c1)[*:1] O=C(CNC(=O)[C@@H]1CC(=O)N(C1)C[*:1])c1ccccc1
O=C(CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1 c1coc(c1)C[*:1] O=C(CNC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1
COc1ccc(CC(=O)N2CCC(c3nc4ccccc4cc3NC(C)=O)CC2)cc1OC CC(=O)N[*:1] COc1ccc(cc1OC)CC(=O)N1CCC(CC1)c1nc2ccccc2cc1[*:1]
COc1ccc(CC(=O)N2CCC(c3nc4ccccc4cc3NC(C)=O)CC2)cc1OC COc1ccc(cc1OC)C[*:1] CC(=O)Nc1cc2ccccc2nc1C1CCN(CC1)C(=O)[*:1]
COc1ccc(CC(=O)N2CCC(c3nc4ccccc4cc3NC(C)=O)CC2)cc1OC COc1ccc(cc1OC)[*:1] CC(=O)Nc1cc2ccccc2nc1C1CCN(CC1)C(=O)C[*:1]
COc1cccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(N)=O)c1 COc1cccc(c1)[*:1] N#C/C(C(N)=O)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1[*:1]
COc1cccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(N)=O)c1 Clc1ccccc1[*:1] COc1cccc(c1)N1C(=O)[C@H](C[*:1])S/C1=C(\C#N)C(N)=O
COc1cccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(N)=O)c1 Clc1ccccc1C[*:1] COc1cccc(c1)N1C(=O)[C@H](S/C1=C(\C#N)C(N)=O)[*:1]
COc1cccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(N)=O)c1 NC(=O)[*:1] COc1cccc(c1)N1C(=O)[C@H](Cc2ccccc2Cl)SC1=C(C#N)[*:1]
[NH3+]C[C@@H](CCCOc1ccccc1)c1cccc(Br)c1 c1ccc(cc1)[*:1] [NH3+]C[C@@H](CCCO[*:1])c1cccc(Br)c1
C[C@H](c1ccco1)N(C)C(=O)CNC(=O)c1cc2ccccc2[nH]1 c1coc(c1)[*:1] C[C@H](N(C)C(=O)CNC(=O)c1cc2ccccc2[nH]1)[*:1]
Cn1ncnc1NC(=O)NC[C@H]1Cc2ccccc21 Cn1ncnc1[*:1] O=C(NC[C@H]1Cc2ccccc21)N[*:1]
CCn1nc(C(C)C)cc1C(=O)NCc1c(F)cccc1Cl CC(C)[*:1] CCn1nc(cc1C(=O)NCc1c(F)cccc1Cl)[*:1]
Cc1ccccc1[C@H](NC(=O)NCc1ncn(C)n1)[C@@H]1CCC[C@H](C)C1 Cn1cnc(n1)[*:1] Cc1ccccc1[C@H](NC(=O)NC[*:1])[C@@H]1CCC[C@H](C)C1
Cc1ccccc1[C@H](NC(=O)NCc1ncn(C)n1)[C@@H]1CCC[C@H](C)C1 Cc1ccccc1[*:1] C[C@H]1CCC[C@H](C1)[C@@H](NC(=O)NCc1ncn(C)n1)[*:1]
Cc1ccccc1[C@H](NC(=O)NCc1ncn(C)n1)[C@@H]1CCC[C@H](C)C1 Cn1cnc(C[*:1])n1 Cc1ccccc1[C@H](NC(=O)N[*:1])[C@@H]1CCC[C@H](C)C1
Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 C1CCC(C1)[*:1] Cc1nc(sc1C(=O)N1CC[C@@H](C1)C[NH+]1CCCCC1)[*:1]
CC(=O)c1ccc(O[C@@H](C)C(=O)NCc2cccc(Cl)c2)cc1 CC(=O)[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)NCc1cccc(Cl)c1
CC(=O)c1ccc(O[C@@H](C)C(=O)NCc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)O[C@@H](C)C(=O)NC[*:1]
O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)OCC(=O)[*:1]
NC(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] NC(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
NC(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] NC(=O)N[*:1] O=C([O-])[C@@H]1CCCCC[C@H]1[*:1]
COc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1OC1CCCC1 C1CCC(C1)[*:1] COc1cc(ccc1O[*:1])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
COc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1OC1CCCC1 C1CCC(C1)O[*:1] COc1cc(ccc1[*:1])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
CCCc1cc(NC(=O)N2CCN(Cc3csc(C)n3)CC2)n(C)n1 Cc1nc(cs1)C[*:1] CCCc1cc(NC(=O)N2CCN(CC2)[*:1])n(C)n1
CCCc1cc(NC(=O)N2CCN(Cc3csc(C)n3)CC2)n(C)n1 CCC[*:1] Cc1nc(cs1)CN1CCN(CC1)C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)N2CCN(Cc3csc(C)n3)CC2)n(C)n1 Cc1nc(cs1)[*:1] CCCc1cc(NC(=O)N2CCN(CC2)C[*:1])n(C)n1
CCN(C(=O)CNc1cc(NC(C)=O)ccc1OC)[C@@H]1CCS(=O)(=O)C1 CC(=O)N[*:1] CCN(C(=O)CNc1cc(ccc1OC)[*:1])[C@@H]1CCS(=O)(=O)C1
C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1CSc2nc(cc(=O)n2C1)C(C)(C)C
C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)[C@H]1CSc2nc(cc(=O)n2C1)C(C)(C)C
C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)[C@H]1CSc2nc(cc(=O)n2C1)C(C)(C)C)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CSc2nc(C(C)(C)C)cc(=O)n2C1 CC(C)(C)[*:1] C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CSc2nc(cc(=O)n2C1)[*:1]
CC[C@H](NC(=O)N1CCC[C@@H](OC)C1)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)N1CCC[C@H](C1)OC)[*:1]
COc1ccc(CS[C@@H](CC(=O)[O-])C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)CS[C@@H](CC(=O)[O-])[*:1]
COc1ccc(CS[C@@H](CC(=O)[O-])C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)CS[C@@H](C[*:1])C(=O)[O-]
COc1ccc(CS[C@@H](CC(=O)[O-])C(=O)[O-])cc1 O=C([O-])C[*:1] COc1ccc(cc1)CS[C@@H](C(=O)[O-])[*:1]
O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(N2CCCCC2)c2ccncc12 O=C(Nc1ccccc1)N[*:1] O=C(CC[*:1])Nc1ccc(c2ccncc12)N1CCCCC1
O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(N2CCCCC2)c2ccncc12 c1ccc(cc1)[*:1] O=C(CCNC(=O)N[*:1])Nc1ccc(c2ccncc12)N1CCCCC1
O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(N2CCCCC2)c2ccncc12 C1CCN(CC1)[*:1] O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(c2ccncc12)[*:1]
C1=C[C@H]2C[C@@H]1C[C@H]2C[NH2+]Cc1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] C1=C[C@H]2C[C@@H]1C[C@H]2C[NH2+]Cc1cccc(c1)[*:1]
CCOCCCNC(=O)C(=O)Nc1ccc(F)c(F)c1F CCOC[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(F)c(F)c1F
CCOCCCNC(=O)C(=O)Nc1ccc(F)c(F)c1F CCOCCC[*:1] O=C(Nc1ccc(F)c(F)c1F)C(=O)N[*:1]
CCOCCCNC(=O)C(=O)Nc1ccc(F)c(F)c1F CCOCC[*:1] O=C(NC[*:1])C(=O)Nc1ccc(F)c(F)c1F
CCOCCCNC(=O)C(=O)Nc1ccc(F)c(F)c1F CCO[*:1] O=C(NCCC[*:1])C(=O)Nc1ccc(F)c(F)c1F
COc1cc(C#N)ccc1OCCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cc(C#N)ccc1OCCO[*:1]
CN(Cc1nccs1)C(=O)C1=NO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN(Cc1nccs1)C(=O)C1C[C@H](ON=1)[*:1]
CN(Cc1nccs1)C(=O)C1=NO[C@@H](c2ccccc2)C1 c1csc(C[*:1])n1 CN(C(=O)C1C[C@@H](ON=1)c1ccccc1)[*:1]
CN(Cc1nccs1)C(=O)C1=NO[C@@H](c2ccccc2)C1 c1csc(n1)[*:1] CN(C[*:1])C(=O)C1C[C@@H](ON=1)c1ccccc1
CCCN[C@H](c1cncnc1)[C@@](C)(CC)[NH+]1CCCC1 CCCN[*:1] CC[C@](C)([C@@H](c1cncnc1)[*:1])[NH+]1CCCC1
CCCN[C@H](c1cncnc1)[C@@](C)(CC)[NH+]1CCCC1 CCC[*:1] CC[C@](C)([C@H](N[*:1])c1cncnc1)[NH+]1CCCC1
CCCN[C@H](c1cncnc1)[C@@](C)(CC)[NH+]1CCCC1 c1ncc(cn1)[*:1] CCCN[C@H]([C@@](C)(CC)[NH+]1CCCC1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)C1 CCOC[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)C1 CC(C)=C[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1ccc(cc1)CNC(=O)[*:1]
CCOC[C@H]1CCCN(C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)C1 CC(C)=CC(=O)NC[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)C1 CC(C)=CC(=O)N[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1ccc(cc1)C[*:1]
CCOC[C@H]1CCCN(C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)C1 CCO[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C[*:1]
C[NH2+][C@@](C)(C(=O)OC)c1ccc(F)cc1 COC(=O)[*:1] C[NH2+][C@@](C)(c1ccc(F)cc1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)[C@H]1CCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 c1cc(n[nH]1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2c1 CCO[*:1] O=C(Nc1nc2ccc(cc2s1)[*:1])c1ccc(Cl)cc1[N+](=O)[O-]
CCOc1ccc2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2c1 O=[N+]([O-])[*:1] CCOc1ccc2nc(NC(=O)c3ccc(Cl)cc3[*:1])sc2c1
CCO[C@H](CCNC(=O)c1ccc2nncn2c1)C(C)C CCO[*:1] CC(C)[C@@H](CCNC(=O)c1ccc2nncn2c1)[*:1]
CCO[C@H](CCNC(=O)c1ccc2nncn2c1)C(C)C CCO[C@H](C(C)C)[*:1] O=C(NCC[*:1])c1ccc2nncn2c1
CCO[C@H](CCNC(=O)c1ccc2nncn2c1)C(C)C CC(C)[*:1] CCO[C@H](CCNC(=O)c1ccc2nncn2c1)[*:1]
Cc1ccccc1S[C@@H](C)C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] Cc1ccccc1S[C@@H](C)C(=O)NC[*:1]
Cc1ccccc1S[C@@H](C)C(=O)NCc1ccccc1Cl Cc1ccccc1[*:1] C[C@H](S[*:1])C(=O)NCc1ccccc1Cl
C[C@@H]1CCN(C(=O)CSCc2ccccn2)[C@H](C)C1 c1ccc(nc1)[*:1] C[C@@H]1CCN(C(=O)CSC[*:1])[C@H](C)C1
N#Cc1ccc(N(C(=O)/C=C/c2cncc(F)c2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)/C=C/c1cncc(F)c1)[*:1]
N#Cc1ccc(N(C(=O)/C=C/c2cncc(F)c2)C2CC2)cc1 Fc1cncc(c1)[*:1] N#Cc1ccc(cc1)N(C(=O)C=C[*:1])C1CC1
CSc1ncc(C(=O)Nc2ccc(NC(C)=O)cc2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] CSc1ncc(C(=O)Nc2ccc(cc2)NC(C)=O)c(n1)[*:1]
CSc1ncc(C(=O)Nc2ccc(NC(C)=O)cc2)c(-c2ccccc2)n1 CC(=O)N[*:1] CSc1ncc(C(=O)Nc2ccc(cc2)[*:1])c(n1)-c1ccccc1
O=C(CSCC(F)(F)F)N[C@@H]1CS(=O)(=O)c2ccccc21 FC(F)(F)C[*:1] O=C(CS[*:1])N[C@@H]1CS(=O)(=O)c2ccccc21
O=C(CSCC(F)(F)F)N[C@@H]1CS(=O)(=O)c2ccccc21 FC(F)(F)[*:1] O=C(CSC[*:1])N[C@@H]1CS(=O)(=O)c2ccccc21
O=C(CSCC(F)(F)F)N[C@@H]1CS(=O)(=O)c2ccccc21 FC(F)(F)CS[*:1] O=C(C[*:1])N[C@@H]1CS(=O)(=O)c2ccccc21
O=C(CSCC(F)(F)F)N[C@@H]1CS(=O)(=O)c2ccccc21 FC(F)(F)CSC[*:1] O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)[*:1]
Cc1cc(NC(=O)c2cc(-c3ccccc3O)no2)nn1CC(=O)N1CCOCC1 Oc1ccccc1[*:1] Cc1cc(nn1CC(=O)N1CCOCC1)NC(=O)c1cc(no1)[*:1]
Cc1cc(NC(=O)c2cc(-c3ccccc3O)no2)nn1CC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1cc(nn1C[*:1])NC(=O)c1cc(no1)-c1ccccc1O
Cc1cc(NC(=O)c2cc(-c3ccccc3O)no2)nn1CC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 Cc1cc(nn1[*:1])NC(=O)c1cc(no1)-c1ccccc1O
CCc1nn(C)cc1C(=O)N[C@H](CCSC)c1nnc2ccccn12 CSC[*:1] CCc1nn(C)cc1C(=O)N[C@H](C[*:1])c1nnc2ccccn12
CCc1nn(C)cc1C(=O)N[C@H](CCSC)c1nnc2ccccn12 CSCC[*:1] CCc1nn(C)cc1C(=O)N[C@H](c1nnc2ccccn12)[*:1]
CCc1nn(C)cc1C(=O)N[C@H](CCSC)c1nnc2ccccn12 CCc1nn(C)cc1[*:1] CSCC[C@@H](NC(=O)[*:1])c1nnc2ccccn12
CC(C)/N=C(\O)COc1coc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1=O CC(C)/N=C(\O)CO[*:1] O=C(c1ccco1)N1CC[NH+](CC1)Cc1cc(=O)c(co1)[*:1]
CC(C)/N=C(\O)COc1coc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1=O c1coc(c1)[*:1] CC(C)/N=C(\O)COc1coc(cc1=O)C[NH+]1CCN(CC1)C(=O)[*:1]
CC(C)/N=C(\O)COc1coc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1=O CC(C)[*:1] O=C(c1ccco1)N1CC[NH+](CC1)Cc1cc(=O)c(co1)OCC(O)=N[*:1]
CC(C)/N=C(\O)COc1coc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1=O CC(C)/N=C(\O)[*:1] O=C(c1ccco1)N1CC[NH+](CC1)Cc1cc(=O)c(co1)OC[*:1]
CC(C)/N=C(\O)COc1coc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1=O CC(C)/N=C(\O)C[*:1] O=C(c1ccco1)N1CC[NH+](CC1)Cc1cc(=O)c(co1)O[*:1]
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)cc1 Cc1ccc(cc1)NC(=O)[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)[*:1]
Cc1nn(C)c(C)c1O[C@H](C)[C@@H](C)O C[C@@H](O)[*:1] Cc1nn(C)c(C)c1O[C@H](C)[*:1]
Cc1ccccc1NC(=O)[C@H](SC[C@@H](C)CO)C(C)C CC(C)[*:1] Cc1ccccc1NC(=O)[C@H](SC[C@@H](C)CO)[*:1]
Cc1ccccc1NC(=O)[C@H](SC[C@@H](C)CO)C(C)C C[C@@H](CO)[*:1] Cc1ccccc1NC(=O)[C@H](SC[*:1])C(C)C
Cc1ccccc1NC(=O)[C@H](SC[C@@H](C)CO)C(C)C C[C@@H](CO)C[*:1] Cc1ccccc1NC(=O)[C@H](S[*:1])C(C)C
CC(=O)Nc1c(C)cccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nc1[O-] Clc1ccc(cc1)[*:1] CC(=O)Nc1c(C)cccc1-c1nnc(nc1[O-])S[C@H](C)C(=O)N[*:1]
CC(=O)Nc1c(C)cccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nc1[O-] O=C(Nc1ccc(Cl)cc1)[*:1] CC(=O)Nc1c(C)cccc1-c1nnc(nc1[O-])S[C@H](C)[*:1]
CC(=O)Nc1c(C)cccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nc1[O-] CC(=O)N[*:1] Cc1cccc(-c2nnc(nc2[O-])S[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1[*:1]
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCCC2)[C@@H]1c1cccnc1)C1CC1 O=C(C1CC1)[*:1] O=C1C([O-])=C([C@@H](c2cccnc2)N1CC[NH+]1CCCCC1)[*:1]
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCCC2)[C@@H]1c1cccnc1)C1CC1 C1CC1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccnc2)N1CC[NH+]1CCCCC1
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCCC2)[C@@H]1c1cccnc1)C1CC1 c1cncc(c1)[*:1] O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCCC2)[C@H]1[*:1])C1CC1
C[C@@H](CCCO)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](CCCO)NC(=O)/C=C/c1cccc(c1)[*:1]
C[C@@H](CCCO)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 OCC[*:1] C[C@@H](C[*:1])NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
C[C@@H](CCCO)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 C[C@@H](CCCO)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])N[*:1]
C[C@@H](CCCO)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 OCCC[*:1] C[C@@H](NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2NC(=O)c3ccccc3N2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)-c1nn(cc1[C@@H]1NC(=O)c2ccccc2N1)[*:1]
Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2NC(=O)c3ccccc3N2)c1 Cc1cccc(c1)[*:1] O=C1N[C@H](Nc2ccccc21)c1cn(Cc2ccccc2)nc1[*:1]
Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2NC(=O)c3ccccc3N2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-c1nn(cc1[C@@H]1NC(=O)c2ccccc2N1)C[*:1]
COc1ccc(OC)c(NC(=S)NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=S)NC(=O)[*:1]
CCS(=O)(=O)[N-]c1ccc([C@@H](C)N[C@H](C)[C@@H]2CN(C)CCO2)cc1 CN1CCO[C@@H](C1)[*:1] CCS(=O)(=O)[N-]c1ccc(cc1)[C@@H](C)N[C@H](C)[*:1]
CCCN(CC(=O)OC)C(=O)/C=C/c1cc(Br)ccc1F COC(=O)C[*:1] CCCN(C(=O)/C=C/c1cc(Br)ccc1F)[*:1]
CCCN(CC(=O)OC)C(=O)/C=C/c1cc(Br)ccc1F COC(=O)[*:1] CCCN(C[*:1])C(=O)/C=C/c1cc(Br)ccc1F
CCCN(CC(=O)OC)C(=O)/C=C/c1cc(Br)ccc1F CCC[*:1] COC(=O)CN(C(=O)/C=C/c1cc(Br)ccc1F)[*:1]
CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12 O=C([O-])[*:1] CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(=C(C)CS[C@H]12)[*:1]
CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12 CCn1ncc(Br)c1[*:1] CC1CS[C@@H]2[C@@H](NC(=O)[*:1])C(=O)N2C=1C(=O)[O-]
CCc1ccc([C@H](CN[C@H](C)c2cnc3cc(C)nn3c2C)[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)NC[C@H]([NH+](C)C)[*:1]
CC(C)[C@H](CO)[NH2+][C@H]1CCC[C@@H](C)CC1 CC(C)[*:1] C[C@@H]1CCC[C@@H](CC1)[NH2+][C@@H](CO)[*:1]
C[NH+]1CCN(CCNC(=O)CCc2cc[nH+]c(N3CCOCC3)c2)CC1 C1CN(CCO1)[*:1] C[NH+]1CCN(CCNC(=O)CCc2cc[nH+]c(c2)[*:1])CC1
Cc1n[nH]c(C(=O)Nc2ccc(-n3cccn3)cc2)n1 c1cnn(c1)[*:1] Cc1n[nH]c(n1)C(=O)Nc1ccc(cc1)[*:1]
Cc1n[nH]c(C(=O)Nc2ccc(-n3cccn3)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(Nc1ccc(cc1)-n1cccn1)[*:1]
CC(C)=CC(=O)N1C[C@@H](C)NC(=O)c2ccc(F)cc21 CC(C)=C[*:1] C[C@@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
CNC(=O)NC(=O)CC[NH+]1CCN(CCOC(C)C)CC1 CC(C)OCC[*:1] CNC(=O)NC(=O)CC[NH+]1CCN(CC1)[*:1]
CNC(=O)NC(=O)CC[NH+]1CCN(CCOC(C)C)CC1 CC(C)[*:1] CNC(=O)NC(=O)CC[NH+]1CCN(CCO[*:1])CC1
CNC(=O)NC(=O)CC[NH+]1CCN(CCOC(C)C)CC1 CC(C)O[*:1] CNC(=O)NC(=O)CC[NH+]1CCN(CC1)CC[*:1]
CNC(=O)NC(=O)CC[NH+]1CCN(CCOC(C)C)CC1 CC(C)OC[*:1] CNC(=O)NC(=O)CC[NH+]1CCN(CC1)C[*:1]
CNC(=O)NC(=O)CC[NH+]1CCN(CCOC(C)C)CC1 CNC(=O)NC(=O)[*:1] CC(C)OCCN1CC[NH+](CC1)CC[*:1]
N#C[C@@H](C(=O)[C@@H]1CSCN1C(=O)C1CCC1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C[C@@H](C(=O)[C@@H]1CSCN1C(=O)C1CCC1)[*:1]
N#C[C@@H](C(=O)[C@@H]1CSCN1C(=O)C1CCC1)c1ccc(F)cn1 C1CC(C1)[*:1] N#C[C@@H](C(=O)[C@@H]1CSCN1C(=O)[*:1])c1ccc(F)cn1
CC(C)(C)N1C[C@@H](NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC1=O FC(F)(F)C[*:1] CC(C)(C)N1C[C@H](CC1=O)NC(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC(C)(C)N1C[C@@H](NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC1=O CC(C)(C)[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])N[C@H](CC(F)(F)F)c1ccc(F)cc1
CC(C)(C)N1C[C@@H](NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC1=O Fc1ccc(cc1)[*:1] CC(C)(C)N1C[C@H](CC1=O)NC(=O)N[C@H](CC(F)(F)F)[*:1]
CC(C)(C)N1C[C@@H](NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC1=O FC(F)(F)[*:1] CC(C)(C)N1C[C@H](CC1=O)NC(=O)N[C@H](C[*:1])c1ccc(F)cc1
COc1c(CN[C@@H](c2ccc(C)cc2)c2cccs2)c(C)nn1C c1csc(c1)[*:1] COc1c(CN[C@@H](c2ccc(C)cc2)[*:1])c(C)nn1C
COc1c(CN[C@@H](c2ccc(C)cc2)c2cccs2)c(C)nn1C Cc1ccc(cc1)[*:1] COc1c(CN[C@@H](c2cccs2)[*:1])c(C)nn1C
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc(-n2ccnc2)cc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])[*:1])c1ccc(cc1)-n1ccnc1
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc(-n2ccnc2)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])C[*:1])c1ccc(cc1)-n1ccnc1
C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc(cc1)[*:1]
O=C([O-])c1ccc(C[NH2+]Cc2cc(F)ccc2F)nc1 O=C([O-])[*:1] Fc1ccc(F)c(c1)C[NH2+]Cc1ccc(cn1)[*:1]
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)Nc1ccc(Cl)cn1 O=C(C[*:1])Nc1ccc(Cl)cn1 O=C(O[*:1])c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)Nc1ccc(Cl)cn1 O=C(Nc1ccc(Cl)cn1)[*:1] O=C(OC[*:1])c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)N[*:1]
COc1ccc(CCNC(=O)c2cccnc2C(=O)[O-])cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)CCNC(=O)c1cccnc1[*:1]
CCOC(=O)c1cnc(N)nc1C(C)(C)C CCOC(=O)[*:1] CC(C)(C)c1nc(N)ncc1[*:1]
CCOC(=O)c1cnc(N)nc1C(C)(C)C CC(C)(C)[*:1] CCOC(=O)c1cnc(N)nc1[*:1]
COc1cccc(CN(C)S(=O)(=O)NCC(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] COc1cccc(c1)CN(C)S(=O)(=O)NC[*:1]
Cc1c(C(=O)c2oc3ccc(Cl)cc3c2C)c([O-])n(C(C)C)c(=O)c1C#N CC(C)[*:1] Cc1c(C(=O)c2oc3ccc(Cl)cc3c2C)c([O-])n(c(=O)c1C#N)[*:1]
C=CCN(C(=O)CCC1=c2ccccc2=[NH+]C1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C=CCN(C(=O)CCC1C[NH+]=c2ccccc2=1)[*:1]
C=CCN(C(=O)CCC1=c2ccccc2=[NH+]C1)[C@@H]1CCS(=O)(=O)C1 C=CC[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccccc1Cn1c(CCNC(=O)C2CC2)nc2ccccc21 O=C(NCC[*:1])C1CC1 COc1ccccc1Cn1c(nc2ccccc21)[*:1]
COc1ccccc1Cn1c(CCNC(=O)C2CC2)nc2ccccc21 COc1ccccc1[*:1] O=C(NCCc1nc2ccccc2n1C[*:1])C1CC1
COc1ccccc1Cn1c(CCNC(=O)C2CC2)nc2ccccc21 O=C(N[*:1])C1CC1 COc1ccccc1Cn1c(CC[*:1])nc2ccccc21
COc1ccccc1Cn1c(CCNC(=O)C2CC2)nc2ccccc21 O=C(NC[*:1])C1CC1 COc1ccccc1Cn1c(C[*:1])nc2ccccc21
COc1ccccc1Cn1c(CCNC(=O)C2CC2)nc2ccccc21 C1CC1[*:1] COc1ccccc1Cn1c(CCNC(=O)[*:1])nc2ccccc21
Cc1n[nH]c(C(=O)NCc2ccc(F)c(F)c2)n1 Cc1n[nH]c(n1)[*:1] O=C(NCc1ccc(F)c(F)c1)[*:1]
CCc1nncn1CCNC(=O)c1cc2c(Br)cccc2[nH]1 CCc1nncn1[*:1] O=C(NCC[*:1])c1cc2c(Br)cccc2[nH]1
CCC[C@](C)(NC(=O)Cc1ccc(F)cc1F)C(=O)OC CCC[*:1] COC(=O)[C@](C)(NC(=O)Cc1ccc(F)cc1F)[*:1]
CCC[C@](C)(NC(=O)Cc1ccc(F)cc1F)C(=O)OC COC(=O)[*:1] CCC[C@](C)(NC(=O)Cc1ccc(F)cc1F)[*:1]
CCCNC(=O)c1nnn2c1c([O-])nc1ccccc12 CCCNC(=O)[*:1] [O-]c1nc2ccccc2n2nnc(c12)[*:1]
CCCNC(=O)c1nnn2c1c([O-])nc1ccccc12 CCC[*:1] O=C(N[*:1])c1nnn2c1c([O-])nc1ccccc12
CCN(CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1C C1CC1[*:1] CCN(CCNC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccccc1C
CCN(CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1C Cc1ccccc1[*:1] CCN(CCNC(=O)[C@H]1CC(=O)N(C1)C1CC1)[*:1]
O=C([O-])CCCc1ccc2c(c1Br)C=CC2 O=C([O-])C[*:1] Brc1c(ccc2CC=Cc21)CC[*:1]
O=C([O-])CCCc1ccc2c(c1Br)C=CC2 O=C([O-])CC[*:1] Brc1c(ccc2CC=Cc21)C[*:1]
O=C([O-])CCCc1ccc2c(c1Br)C=CC2 O=C([O-])[*:1] Brc1c(ccc2CC=Cc21)CCC[*:1]
C=CCN1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2C C=CC[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC=21)[*:1])c1ccccc1
C=CCN1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2C c1ccc(cc1)[*:1] C=CCN1CC2=C(C1=O)[C@H](NC(=O)N2C)[*:1]
O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccccc1O Oc1ccccc1[*:1] O=C1Nc2ccc(F)cc2[C@@]1(O)CC(=O)[*:1]
CC(C)(CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C(N)=O c1ccc(cc1)[*:1] CC(C)(CNC(=O)N[C@H](C[NH+]1CCCC1)[*:1])C(N)=O
CC(C)(CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C(N)=O NC(=O)[*:1] CC(C)(CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[*:1]
CC(C)(CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C(N)=O CC(C)(C[*:1])C(N)=O O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[*:1]
CC(C)(CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C(N)=O CC(C)(C(N)=O)[*:1] O=C(NC[*:1])N[C@H](C[NH+]1CCCC1)c1ccccc1
C[NH+]1CCN(c2ccccc2NC(=O)NCC[NH+](C)C2CCCCC2)CC1 C1CCC(CC1)[*:1] C[NH+]1CCN(CC1)c1ccccc1NC(=O)NCC[NH+](C)[*:1]
CC(=O)Oc1ccc(-c2ccc(C(=O)Nc3cc(C)nn3-c3nc4ccccc4[nH]3)cc2)cc1 CC(=O)Oc1ccc(cc1)[*:1] Cc1cc(NC(=O)c2ccc(cc2)[*:1])n(n1)-c1nc2ccccc2[nH]1
CC(=O)Oc1ccc(-c2ccc(C(=O)Nc3cc(C)nn3-c3nc4ccccc4[nH]3)cc2)cc1 c1ccc2[nH]c(nc2c1)[*:1] CC(=O)Oc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1cc(C)nn1[*:1]
CC(=O)Oc1ccc(-c2ccc(C(=O)Nc3cc(C)nn3-c3nc4ccccc4[nH]3)cc2)cc1 CC(=O)O[*:1] Cc1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2)[*:1])n(n1)-c1nc2ccccc2[nH]1
CCN[C@@H](Cc1ccc(O)cc1)[C@@](C)(CC)[NH+]1CCCC1 CCN[*:1] CC[C@](C)([C@H](Cc1ccc(O)cc1)[*:1])[NH+]1CCCC1
CCN[C@@H](Cc1ccc(O)cc1)[C@@](C)(CC)[NH+]1CCCC1 Oc1ccc(cc1)[*:1] CCN[C@@H](C[*:1])[C@@](C)(CC)[NH+]1CCCC1
CCCCc1c(C[NH2+]CC)n[nH]c1-c1ccccc1 CCC[*:1] CC[NH2+]Cc1n[nH]c(-c2ccccc2)c1C[*:1]
CCCCc1c(C[NH2+]CC)n[nH]c1-c1ccccc1 c1ccc(cc1)[*:1] CCCCc1c(C[NH2+]CC)n[nH]c1[*:1]
CCCCc1c(C[NH2+]CC)n[nH]c1-c1ccccc1 CCCC[*:1] CC[NH2+]Cc1n[nH]c(-c2ccccc2)c1[*:1]
COCCO[C@H](C)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 COCC[*:1] C[C@@H](O[*:1])C(=O)Nc1nc2c3CCCCc3ccc2s1
COCCO[C@H](C)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 COC[*:1] C[C@@H](OC[*:1])C(=O)Nc1nc2c3CCCCc3ccc2s1
COCCO[C@H](C)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 COCCO[C@H](C)[*:1] O=C(Nc1nc2c3CCCCc3ccc2s1)[*:1]
COCCO[C@H](C)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 COCCO[*:1] C[C@H](C(=O)Nc1nc2c3CCCCc3ccc2s1)[*:1]
CC(C)c1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CC(C)c1ccccc1NC(=O)N[C@H](C)c1ccc(cc1)NC(=O)[*:1]
CC(C)c1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 CC(C)[*:1] C[C@@H](NC(=O)Nc1ccccc1[*:1])c1ccc(cc1)NC(=O)C1CC1
CC(C)c1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 CC(C)c1ccccc1[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)NC(=O)C1CC1
CC(C)c1ccccc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CC(C)c1ccccc1NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1ccc(-n2c(/C=C3\C(=O)Nc4ccc(C)cc43)nc3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc2NC(=O)/C(=C\c3nc4ccccc4c(=O)n3[*:1])c2c1
CC(C)(C)N(CC(=O)[O-])C(=O)N(CCO)C1CC1 OCC[*:1] CC(C)(C)N(CC(=O)[O-])C(=O)N(C1CC1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)N(CCO)C1CC1 C1CC1[*:1] CC(C)(C)N(CC(=O)[O-])C(=O)N(CCO)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)N(CCO)C1CC1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)N(CCO)C1CC1
CC(C)(C)N(CC(=O)[O-])C(=O)N(CCO)C1CC1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)N(CCO)C1CC1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)N(CCO)C1CC1 CC(C)(C)[*:1] O=C([O-])CN(C(=O)N(CCO)C1CC1)[*:1]
CC[C@@H](C(=O)NCc1ccc(C#N)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)NCc1ccc(C#N)cc1)[*:1]
Cc1nnc(-c2cccc(C(=O)NCc3ccc(OCC(C)C)cc3)c2)o1 CC(C)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NCc1ccc(cc1)OC[*:1]
Cc1nnc(-c2cccc(C(=O)NCc3ccc(OCC(C)C)cc3)c2)o1 CC(C)CO[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NCc1ccc(cc1)[*:1]
Cc1nnc(-c2cccc(C(=O)NCc3ccc(OCC(C)C)cc3)c2)o1 CC(C)C[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NCc1ccc(cc1)O[*:1]
Cc1nnc(-c2cccc(C(=O)NCc3ccc(OCC(C)C)cc3)c2)o1 Cc1nnc(o1)[*:1] CC(C)COc1ccc(cc1)CNC(=O)c1cccc(c1)[*:1]
COC(=O)c1ccccc1CN1CC[C@H](C[NH+]2CCCC2)C1 COC(=O)[*:1] c1ccc(c(c1)CN1CC[C@@H](C1)C[NH+]1CCCC1)[*:1]
Cc1cnc([C@H](C)NC(=O)NC[C@@H](C)c2ccc(F)cc2F)s1 Cc1cnc(s1)[*:1] C[C@H](CNC(=O)N[C@@H](C)[*:1])c1ccc(F)cc1F
C[C@@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)Nc1ccccc1C#N N#Cc1ccccc1[*:1] C[C@@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)N[*:1]
O=C(N[C@H]1OCCO[C@@H]1NC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1OCCO[C@@H]1NC(=O)[*:1])c1ccccc1
COc1cccc(N2C[C@H](C(=O)NCc3cc(-c4ccc(C)cc4)on3)CC2=O)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CC(=O)N(C2)[*:1])no1
COc1cccc(N2C[C@H](C(=O)NCc3cc(-c4ccc(C)cc4)on3)CC2=O)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)C(=O)NCc1cc(on1)[*:1]
COCc1cc(C(=O)Nc2nc(C(C)=O)cs2)ccc1F CC(=O)[*:1] COCc1cc(ccc1F)C(=O)Nc1nc(cs1)[*:1]
COCc1cc(C(=O)Nc2nc(C(C)=O)cs2)ccc1F COC[*:1] CC(=O)c1csc(n1)NC(=O)c1ccc(F)c(c1)[*:1]
Cc1ccc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 Cc1ccc(cc1)C[*:1] O=C(CCc1ccc(o1)-c1ccccc1F)N[*:1]
Cc1ccc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)CNC(=O)CCc1ccc(o1)[*:1]
Cc1ccc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1ccc(o1)-c1ccccc1F)NC[*:1]
C[C@H]1Oc2ccc(NC(=O)c3cc(C#N)cs3)cc2NC1=O N#Cc1csc(c1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)[*:1]
COc1cccc([C@@H](C)CC(=O)Oc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)[C@@H](C)CC(=O)Oc1cccc(c1)[*:1]
O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)N1CCN(Cc2ccon2)CC1 c1cc(C[*:1])no1 O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)N1CCN(CC1)[*:1]
O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)N1CCN(Cc2ccon2)CC1 c1cc(no1)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)N1CCN(CC1)C[*:1]
C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc(=O)[nH]c2)C1 O=c1ccc(c[nH]1)[*:1] C[C@@H]1CN(C)c2ccccc2N(C1)C(=O)[*:1]
c1cncc([C@@H]2NCc3ccccc3N/C2=[NH+]\C2CCCCC2)c1 c1cncc(c1)[*:1] c1ccc2N/C(=[NH+]\C3CCCCC3)[C@@H](NCc2c1)[*:1]
c1cncc([C@@H]2NCc3ccccc3N/C2=[NH+]\C2CCCCC2)c1 C1CCC(CC1)[*:1] c1cncc(c1)[C@@H]1NCc2ccccc2NC1=[NH+][*:1]
Cc1nc(NC(=O)C[NH+](C)C(C)C)sc1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(NC(=O)C[NH+](C)C(C)C)sc1C[*:1]
Cc1nc(NC(=O)C[NH+](C)C(C)C)sc1Cc1ccc(F)cc1 CC(C)[*:1] Cc1nc(NC(=O)C[NH+](C)[*:1])sc1Cc1ccc(F)cc1
Cc1ncc([C@@H](C)[NH2+]CCCc2cn[nH]c2C)s1 Cc1[nH]ncc1[*:1] Cc1ncc(s1)[C@@H](C)[NH2+]CCC[*:1]
Cc1ncc([C@@H](C)[NH2+]CCCc2cn[nH]c2C)s1 Cc1ncc(s1)[*:1] Cc1[nH]ncc1CCC[NH2+][C@H](C)[*:1]
C=CCC[C@@H](C)OC(=O)Cn1cnc2c(C)cccc2c1=O C=CCC[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)O[C@H](C)[*:1]
C=CCC[C@@H](C)OC(=O)Cn1cnc2c(C)cccc2c1=O C=CC[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)O[C@H](C)C[*:1]
C[NH+](C)CCc1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1 FC(F)(F)[*:1] C[NH+](C)CCc1ccc(cc1)NC(=O)c1ncccc1[*:1]
CCCNC(=O)[C@@H](C)N(C)Cc1cnccn1 CCC[*:1] C[C@H](C(=O)N[*:1])N(C)Cc1cnccn1
COCC[n+]1c(N)c(C(=O)NC(C)C)cc2c(=O)n3cccc(C)c3nc21 CC(C)[*:1] COCC[n+]1c(N)c(cc2c(=O)n3cccc(C)c3nc21)C(=O)N[*:1]
COCC[n+]1c(N)c(C(=O)NC(C)C)cc2c(=O)n3cccc(C)c3nc21 COC[*:1] Cc1cccn2c(=O)c3cc(C(=O)NC(C)C)c(N)[n+](C[*:1])c3nc12
COCC[n+]1c(N)c(C(=O)NC(C)C)cc2c(=O)n3cccc(C)c3nc21 CC(C)NC(=O)[*:1] COCC[n+]1c(N)c(cc2c(=O)n3cccc(C)c3nc21)[*:1]
COCC[n+]1c(N)c(C(=O)NC(C)C)cc2c(=O)n3cccc(C)c3nc21 COCC[*:1] Cc1cccn2c(=O)c3cc(C(=O)NC(C)C)c(N)[n+](c3nc12)[*:1]
CC[NH+]1CCN(CC(=O)NCc2cn(-c3ccc(OC)cc3)nn2)CC1 COc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)CC(=O)NCc1cn(nn1)[*:1]
CCC[C@H](NC(=O)CSc1nc2ccccc2n(C)c1=O)c1cccs1 c1csc(c1)[*:1] CCC[C@H](NC(=O)CSc1nc2ccccc2n(C)c1=O)[*:1]
CCC[C@H](NC(=O)CSc1nc2ccccc2n(C)c1=O)c1cccs1 CCC[*:1] Cn1c(=O)c(nc2ccccc21)SCC(=O)N[C@H](c1cccs1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)[C@@H](C(C)C)N1C[C@H](C)O[C@H](C)C1 CC(C)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)[C@@H](N1C[C@H](C)O[C@H](C)C1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)[C@@H](C(C)C)N1C[C@H](C)O[C@H](C)C1 Cc1noc(C)c1[*:1] CC(C)[C@H](C(=O)N[C@@H](C)[*:1])N1C[C@H](C)O[C@H](C)C1
Cc1noc(C)c1[C@H](C)NC(=O)[C@@H](C(C)C)N1C[C@H](C)O[C@H](C)C1 C[C@H]1CN(C[C@@H](C)O1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)[C@@H](C(C)C)[*:1]
COc1cccc(N2CCN(C(=O)c3cnn4c3N[C@@H](c3ccco3)C[C@H]4C(F)(F)F)CC2)c1 COc1cccc(c1)[*:1] O=C(c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)c1ccco1)N1CCN(CC1)[*:1]
COc1cccc(N2CCN(C(=O)c3cnn4c3N[C@@H](c3ccco3)C[C@H]4C(F)(F)F)CC2)c1 FC(F)(F)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)c1cnn2c1N[C@H](C[C@@H]2[*:1])c1ccco1
COc1cccc(N2CCN(C(=O)c3cnn4c3N[C@@H](c3ccco3)C[C@H]4C(F)(F)F)CC2)c1 c1coc(c1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)c1cnn2c1N[C@@H](C[C@H]2C(F)(F)F)[*:1]
C[C@H](C(=O)N1CCCCC1)S(=O)(=O)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](C(=O)N1CCCCC1)S(=O)(=O)[*:1]
Cc1cc(OCc2ccc(F)c(F)c2)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1cc(nc(n1)[*:1])OCc1ccc(F)c(F)c1
N#Cc1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 N#Cc1ccc(cc1)[*:1] O=C(OC[*:1])[C@@H]1CCCN1C(=O)c1cccs1
N#Cc1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)COC(=O)[C@@H]1CCCN1C(=O)[*:1]
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccn2)C1 CN(C)[*:1] Cc1noc(C=C[*:1])c1S(=O)(=O)N1CCC[C@H](C1)C(=O)NCc1ccccn1
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccn2)C1 O=C(NCc1ccccn1)[*:1] Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C1)[*:1]
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccn2)C1 CN(C)C=C[*:1] Cc1noc(c1S(=O)(=O)N1CCC[C@H](C1)C(=O)NCc1ccccn1)[*:1]
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccn2)C1 c1ccc(C[*:1])nc1 Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccn2)C1 c1ccc(nc1)[*:1] Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
C[C@@H](c1ccccc1)n1ccc(NC(=O)NCC(C)(C)c2ccncc2)n1 CC(C)(c1ccncc1)[*:1] C[C@@H](c1ccccc1)n1ccc(n1)NC(=O)NC[*:1]
C[C@@H](c1ccccc1)n1ccc(NC(=O)NCC(C)(C)c2ccncc2)n1 c1ccc(cc1)[*:1] C[C@@H](n1ccc(n1)NC(=O)NCC(C)(C)c1ccncc1)[*:1]
C[C@@H](c1ccccc1)n1ccc(NC(=O)NCC(C)(C)c2ccncc2)n1 c1cc(ccn1)[*:1] C[C@@H](c1ccccc1)n1ccc(n1)NC(=O)NCC(C)(C)[*:1]
C[C@@H](c1ccccc1)n1ccc(NC(=O)NCC(C)(C)c2ccncc2)n1 C[C@@H](c1ccccc1)[*:1] CC(C)(CNC(=O)Nc1ccn(n1)[*:1])c1ccncc1
CCC(=O)N1CCc2ccc(O[C@H](C)C(=O)N(C)Cc3ccco3)cc2[C@@H]1c1ccccc1 c1coc(c1)[*:1] CCC(=O)N1CCc2ccc(cc2[C@@H]1c1ccccc1)O[C@H](C)C(=O)N(C)C[*:1]
CCC(=O)N1CCc2ccc(O[C@H](C)C(=O)N(C)Cc3ccco3)cc2[C@@H]1c1ccccc1 c1coc(c1)C[*:1] CCC(=O)N1CCc2ccc(cc2[C@@H]1c1ccccc1)O[C@H](C)C(=O)N(C)[*:1]
CCC(=O)N1CCc2ccc(O[C@H](C)C(=O)N(C)Cc3ccco3)cc2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCC(=O)N1CCc2ccc(cc2[C@H]1[*:1])O[C@H](C)C(=O)N(C)Cc1ccco1
CCC(=O)N1CCc2ccc(O[C@H](C)C(=O)N(C)Cc3ccco3)cc2[C@@H]1c1ccccc1 CN(Cc1ccco1)C(=O)[*:1] CCC(=O)N1CCc2ccc(cc2[C@@H]1c1ccccc1)O[C@H](C)[*:1]
COC(C)(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C COC(C)(C)C[*:1] CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
COC(C)(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C CC(C)C[*:1] COC(C)(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
COC(C)(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C CC(C)[*:1] COC(C)(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[*:1]
COC(C)(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C COC(C)(C)[*:1] CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccccc2Cl)C1 Clc1ccccc1[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)N[C@@H](C)[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccccc2Cl)C1 CC[S@](=O)[*:1] C[C@H](NC(=O)N[C@H]1CCC[C@@H](C1)[*:1])c1ccccc1Cl
C[NH+](CCC1CC1)Cc1c[nH]nc1C(C)(C)C CC(C)(C)[*:1] C[NH+](CCC1CC1)Cc1c[nH]nc1[*:1]
C[NH+](CCC1CC1)Cc1c[nH]nc1C(C)(C)C C1CC1C[*:1] C[NH+](Cc1c[nH]nc1C(C)(C)C)C[*:1]
C[NH+](CCC1CC1)Cc1c[nH]nc1C(C)(C)C C1CC1[*:1] C[NH+](CC[*:1])Cc1c[nH]nc1C(C)(C)C
C[NH+](CCC1CC1)Cc1c[nH]nc1C(C)(C)C C1CC1CC[*:1] C[NH+](Cc1c[nH]nc1C(C)(C)C)[*:1]
O=C(c1ccccc1C(F)(F)F)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 Brc1ccc(cc1)[*:1] O=C(c1ccccc1C(F)(F)F)N([C@@H]1C=CS(=O)(=O)C1)[*:1]
O=C(c1ccccc1C(F)(F)F)N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1 FC(F)(F)[*:1] O=C(c1ccccc1[*:1])N(c1ccc(Br)cc1)[C@@H]1C=CS(=O)(=O)C1
CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 CC[C@@H](C)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)C(=O)N[*:1])[NH+]1CCCCCC1
CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 CC[C@@H](C)NC(=O)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])[NH+]1CCCCCC1
Cc1cc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)on1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)N[C@H]2CCCN(C2=O)[*:1])on1
Cc1cc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)on1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)N[C@H]2CCCN(C[*:1])C2=O)on1
Cc1cc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)on1 Cc1cc(on1)[*:1] O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[*:1]
Cc1nn(CC(=O)N2CC[C@H](C(N)=O)c3ccccc32)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)N2CC[C@H](C(N)=O)c3ccccc32)c(C)c1[*:1]
Cc1nn(CC(=O)N2CC[C@H](C(N)=O)c3ccccc32)c(C)c1[N+](=O)[O-] NC(=O)[*:1] Cc1nn(CC(=O)N2CC[C@H](c3ccccc32)[*:1])c(C)c1[N+](=O)[O-]
Cc1ccc(C)c(NC(=O)[C@@H](C)[S@@](=O)Cc2nccn2C(F)F)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1nccn1C(F)F
Cc1ccc(C)c(NC(=O)[C@@H](C)[S@@](=O)Cc2nccn2C(F)F)c1 FC(F)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](C)[S@@](=O)Cc1nccn1[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](C)[S@@](=O)Cc2nccn2C(F)F)c1 FC(F)n1ccnc1[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](C)[S@@](=O)C[*:1]
O[C@@H]1CCCC[C@@H]1CC(F)(F)F FC(F)(F)[*:1] O[C@@H]1CCCC[C@@H]1C[*:1]
C[NH2+][C@H](C)c1ccc(Sc2cccs2)c(F)c1 c1csc(c1)[*:1] C[NH2+][C@H](C)c1ccc(S[*:1])c(F)c1
COc1cc(NC[C@H](c2cccc(C)c2)N2CCOCC2)c([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] COc1cc(NC[C@H](c2cccc(C)c2)N2CCOCC2)c(cc1F)[*:1]
COc1cc(NC[C@H](c2cccc(C)c2)N2CCOCC2)c([N+](=O)[O-])cc1F C1CN(CCO1)[*:1] COc1cc(NC[C@H](c2cccc(C)c2)[*:1])c(cc1F)[N+](=O)[O-]
COc1cc(NC[C@H](c2cccc(C)c2)N2CCOCC2)c([N+](=O)[O-])cc1F Cc1cccc(c1)[*:1] COc1cc(NC[C@H](N2CCOCC2)[*:1])c(cc1F)[N+](=O)[O-]
CCN(CC)C(=O)c1cccc(NCC(=O)Nc2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] CCN(CC)C(=O)c1cccc(c1)NCC(=O)N[*:1]
CCN(CC)C(=O)c1cccc(NCC(=O)Nc2cccc(C)c2C)c1 CCN(CC)C(=O)[*:1] Cc1cccc(NC(=O)CNc2cccc(c2)[*:1])c1C
CCCCC1CCC(NC(=O)N(C)C2CCS(=O)CC2)CC1 CCCC[*:1] CN(C(=O)NC1CCC(CC1)[*:1])C1CCS(=O)CC1
CCCCC1CCC(NC(=O)N(C)C2CCS(=O)CC2)CC1 CCC[*:1] CN(C(=O)NC1CCC(CC1)C[*:1])C1CCS(=O)CC1
CCOC(=O)c1c(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)sc2c1CC[C@@H](CC)C2 CCOC(=O)[*:1] CC[C@@H]1CCc2c(C1)sc(NC(=O)c1nc3nc(C)cc(C(F)F)n3n1)c2[*:1]
CCOC(=O)c1c(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)sc2c1CC[C@@H](CC)C2 FC(F)[*:1] CCOC(=O)c1c(NC(=O)c2nc3nc(C)cc(n3n2)[*:1])sc2C[C@H](CC)CCc21
Cc1cc(Cl)ccc1CCO OCC[*:1] Cc1cc(Cl)ccc1[*:1]
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1I FC(F)(F)[*:1] O=C(NNc1ccc(cc1[N+](=O)[O-])[*:1])c1ccccc1I
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1I O=[N+]([O-])[*:1] O=C(NNc1ccc(cc1[*:1])C(F)(F)F)c1ccccc1I
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1I Ic1ccccc1[*:1] O=C(NNc1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
Clc1ccc(Cl)c(OCCCCN2CCOCC2)c1 C1CN(CCO1)[*:1] Clc1ccc(Cl)c(c1)OCCCC[*:1]
CCOC(=O)C1CCN(C(=O)C[C@@H](c2ccco2)n2cccc2)CC1 CCOC(=O)[*:1] O=C(C[C@@H](c1ccco1)n1cccc1)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(C(=O)C[C@@H](c2ccco2)n2cccc2)CC1 c1ccn(c1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)C[C@@H](c1ccco1)[*:1]
CCOC(=O)C1CCN(C(=O)C[C@@H](c2ccco2)n2cccc2)CC1 c1coc(c1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)C[C@@H](n1cccc1)[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2cccc[nH+]2)CC1 CC[S@@](=O)[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])N1CCN(CC1)c1cccc[nH+]1
COC(=O)c1cccc(CSc2cc(Br)ccc2N)c1 COC(=O)[*:1] Nc1ccc(Br)cc1SCc1cccc(c1)[*:1]
CC1(C)C(NC(=O)[C@H](Cc2ccccc2)C(N)=S)C1(C)C CC1(C)C(C1(C)C)[*:1] NC(=S)[C@@H](Cc1ccccc1)C(=O)N[*:1]
CC1(C)C(NC(=O)[C@H](Cc2ccccc2)C(N)=S)C1(C)C c1ccc(cc1)[*:1] CC1(C)C(NC(=O)[C@H](C[*:1])C(N)=S)C1(C)C
CC1(C)C(NC(=O)[C@H](Cc2ccccc2)C(N)=S)C1(C)C c1ccc(cc1)C[*:1] CC1(C)C(NC(=O)[C@H](C(N)=S)[*:1])C1(C)C
CC1(C)C(NC(=O)[C@H](Cc2ccccc2)C(N)=S)C1(C)C NC(=S)[*:1] CC1(C)C(NC(=O)[C@H](Cc2ccccc2)[*:1])C1(C)C
CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 CN(C)S(=O)(=O)[*:1] C[NH+](C)CCC1CCN(CC1)C(=O)NCc1ccc(cc1)[*:1]
COc1cc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
COc1cc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
COc1cc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1OC(F)F O=[N+]([O-])[*:1] COc1cc(ccc1OC(F)F)C(=O)/C=C/c1cccc(c1)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1)C(C)C NC(=O)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(cs1)-c1c[nH]c(c1)[*:1])C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1nc(cs1)-c1c[nH]c(c1)C(N)=O
Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(cs1)-c1c[nH]c(c1)C(N)=O)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1)C(C)C NC(=O)c1cc(c[nH]1)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(cs1)[*:1])C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1)C(C)C Cc1ccccc1C(=O)N[*:1] CC(C)[C@@H](C(=O)Nc1nc(cs1)-c1c[nH]c(c1)C(N)=O)[*:1]
O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)-c1nccs1)c1ccc(c(c1)[*:1])-n1ccnc1
O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 c1csc(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(c(c1)[N+](=O)[O-])-n1ccnc1
O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 c1cn(cn1)[*:1] O=C(Nc1ccc(cc1)-c1nccs1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1ccc(-n2nnc(C(=O)OCc3ccccc3Cl)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)OCc1ccccc1Cl
Cc1ccc(-n2nnc(C(=O)OCc3ccccc3Cl)c2C)cc1 Clc1ccccc1C[*:1] Cc1ccc(cc1)-n1nnc(C(=O)O[*:1])c1C
Cc1ccc(-n2nnc(C(=O)OCc3ccccc3Cl)c2C)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)-n1nnc(C(=O)OC[*:1])c1C
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nncn1-c1ccccc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)Sc1nncn1-c1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)Sc1nncn1[*:1])S(=O)(=O)N(C)C
C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1nc2ccc(Cl)cc2n1C C1CC[C@H](OC1)[*:1] C[C@@H]([NH2+]C[*:1])c1nc2ccc(Cl)cc2n1C
O=[N+]([O-])c1cnccc1NCc1cccc(F)c1 O=[N+]([O-])[*:1] Fc1cccc(c1)CNc1ccncc1[*:1]
Cc1nnc(-c2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CCCCC3)cc2)o1 Cc1nnc(o1)[*:1] C[NH+](C)C1(CCCCC1)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
COC[C@H](O)CN(C)C(=O)c1cccc(-c2ccoc2)c1 COC[C@H](O)[*:1] CN(C[*:1])C(=O)c1cccc(c1)-c1ccoc1
COC[C@H](O)CN(C)C(=O)c1cccc(-c2ccoc2)c1 COC[C@H](O)C[*:1] CN(C(=O)c1cccc(c1)-c1ccoc1)[*:1]
COC[C@H](O)CN(C)C(=O)c1cccc(-c2ccoc2)c1 COC[*:1] CN(C[C@@H](O)[*:1])C(=O)c1cccc(c1)-c1ccoc1
COC[C@H](O)CN(C)C(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] COC[C@H](O)CN(C)C(=O)c1cccc(c1)[*:1]
C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2)[C@@H](C#N)C(=O)N3)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)c1nc2NC(=O)[C@H](C#N)[C@H](c2c(=O)[nH]1)[*:1]
C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2)[C@@H](C#N)C(=O)N3)C1 C[C@@H]1C[C@@H](C)CN(C1)[*:1] N#C[C@H]1C(=O)Nc2nc([nH]c(=O)c2[C@H]1c1ccccc1)[*:1]
CC1(C)Cc2cccc(OCC#CCNS(=O)(=O)c3cccs3)c2O1 c1csc(c1)[*:1] CC1(C)Cc2cccc(OCC#CCNS(=O)(=O)[*:1])c2O1
CCN1C(=O)c2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] CCN1C(=O)c2cc(nn2C[C@]1(C)[*:1])C(=O)N1CCC(CC1)[NH+]1CCCCC1
CCN1C(=O)c2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CCN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)N[*:1])C(=O)N1CCC(CC1)[NH+]1CCCCC1
CCC[NH2+]CC1CC[NH+](CC(C)(C)C(=O)[O-])CC1 CCC[*:1] CC(C)(C[NH+]1CCC(CC1)C[NH2+][*:1])C(=O)[O-]
CCC[NH2+]CC1CC[NH+](CC(C)(C)C(=O)[O-])CC1 O=C([O-])[*:1] CCC[NH2+]CC1CC[NH+](CC1)CC(C)(C)[*:1]
CCC[NH2+]CC1CC[NH+](CC(C)(C)C(=O)[O-])CC1 CCC[NH2+][*:1] CC(C)(C[NH+]1CCC(CC1)C[*:1])C(=O)[O-]
CCC[NH2+]CC1CC[NH+](CC(C)(C)C(=O)[O-])CC1 CCC[NH2+]C[*:1] CC(C)(C[NH+]1CCC(CC1)[*:1])C(=O)[O-]
CCC[NH2+]CC1CC[NH+](CC(C)(C)C(=O)[O-])CC1 CC(C)(C(=O)[O-])[*:1] CCC[NH2+]CC1CC[NH+](CC1)C[*:1]
CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCS(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C)CC(C)(C)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2nc(CC)no2)C12CCC2 CCc1noc(n1)[*:1] CCO[C@@H]1C[C@@H](NC(=O)N(C)C[*:1])C12CCC2
CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2nc(CC)no2)C12CCC2 CCO[*:1] CCc1noc(CN(C)C(=O)N[C@@H]2C[C@H](C23CCC3)[*:1])n1
Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)CCCN1CCCC1=O)CC3 O=C1CCCN1C[*:1] Cc1cc2c(=O)n3CCN(CCc3nc2s1)C(=O)CC[*:1]
Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)CCCN1CCCC1=O)CC3 O=C1CCCN1[*:1] Cc1cc2c(=O)n3CCN(CCc3nc2s1)C(=O)CCC[*:1]
Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)CCCN1CCCC1=O)CC3 O=C1CCCN1CC[*:1] Cc1cc2c(=O)n3CCN(CCc3nc2s1)C(=O)C[*:1]
Cc1cc2c(=O)n3c(nc2s1)CCN(C(=O)CCCN1CCCC1=O)CC3 O=C1CCCN1CCC[*:1] Cc1cc2c(=O)n3CCN(CCc3nc2s1)C(=O)[*:1]
C[C@@H]1CCc2c(sc3nc(Sc4ccc(C(N)=O)cc4[N+](=O)[O-])n(Cc4ccco4)c(=O)c23)C1 c1coc(c1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(Sc3ccc(cc3[N+](=O)[O-])C(N)=O)n(C[*:1])c(=O)c21
C[C@@H]1CCc2c(sc3nc(Sc4ccc(C(N)=O)cc4[N+](=O)[O-])n(Cc4ccco4)c(=O)c23)C1 O=[N+]([O-])[*:1] C[C@@H]1CCc2c(C1)sc1nc(Sc3ccc(cc3[*:1])C(N)=O)n(Cc3ccco3)c(=O)c21
C[C@@H]1CCc2c(sc3nc(Sc4ccc(C(N)=O)cc4[N+](=O)[O-])n(Cc4ccco4)c(=O)c23)C1 c1coc(c1)C[*:1] C[C@@H]1CCc2c(C1)sc1nc(Sc3ccc(cc3[N+](=O)[O-])C(N)=O)n(c(=O)c21)[*:1]
C[C@@H]1CCc2c(sc3nc(Sc4ccc(C(N)=O)cc4[N+](=O)[O-])n(Cc4ccco4)c(=O)c23)C1 NC(=O)[*:1] C[C@@H]1CCc2c(C1)sc1nc(Sc3ccc(cc3[N+](=O)[O-])[*:1])n(Cc3ccco3)c(=O)c21
CCc1nn(C)cc1CNc1ccc(CNC(=O)OC)cc1 COC(=O)NC[*:1] CCc1nn(C)cc1CNc1ccc(cc1)[*:1]
CCc1nn(C)cc1CNc1ccc(CNC(=O)OC)cc1 COC(=O)N[*:1] CCc1nn(C)cc1CNc1ccc(cc1)C[*:1]
C[C@H](CC#N)NC(=O)c1nc[nH]n1 N#CC[*:1] C[C@H](NC(=O)c1nc[nH]n1)[*:1]
CC(C)(C)OC(=O)N1CCC(c2nc(Cl)ncc2F)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)c1nc(Cl)ncc1F
CCc1[nH]ncc1C(=O)N1CCN(c2nc(C)cc(OC)n2)CC1 CCc1[nH]ncc1[*:1] COc1cc(C)nc(n1)N1CCN(CC1)C(=O)[*:1]
CC(C)CC[C@@H](C)NC(=O)[C@H]1COc2ccccc2O1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)[C@H]1COc2ccccc2O1
CC(C)CC[C@@H](C)NC(=O)[C@H]1COc2ccccc2O1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)[C@H]1COc2ccccc2O1
CC(C)CC[C@@H](C)NC(=O)[C@H]1COc2ccccc2O1 CC(C)CC[*:1] C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)[*:1]
C[C@@H](CCCO)[NH2+][C@H](CC#N)c1ccccc1 OCCC[*:1] C[C@@H]([NH2+][C@H](CC#N)c1ccccc1)[*:1]
C[C@@H](CCCO)[NH2+][C@H](CC#N)c1ccccc1 OCC[*:1] C[C@@H](C[*:1])[NH2+][C@H](CC#N)c1ccccc1
C[C@@H](CCCO)[NH2+][C@H](CC#N)c1ccccc1 N#CC[*:1] C[C@@H](CCCO)[NH2+][C@H](c1ccccc1)[*:1]
CC(C)CC(=O)Nc1ccccc1C(=O)N1CCOCC1 CC(C)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)N1CCOCC1
CC(C)CC(=O)Nc1ccccc1C(=O)N1CCOCC1 CC(C)CC(=O)N[*:1] O=C(c1ccccc1[*:1])N1CCOCC1
CC(C)CC(=O)Nc1ccccc1C(=O)N1CCOCC1 CC(C)C[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCOCC1
C[C@H]1CCC[C@H](Nc2nnnn2-c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](Nc2nnnn2[*:1])[C@@H]1C
O=C(CN1CCN(c2ncccn2)CC1)N1CCc2ccccc21 c1cnc(nc1)[*:1] O=C(CN1CCN(CC1)[*:1])N1CCc2ccccc21
COCCNC(=S)Nc1ccc(F)cc1F COCC[*:1] Fc1ccc(NC(=S)N[*:1])c(F)c1
COCCNC(=S)Nc1ccc(F)cc1F COC[*:1] Fc1ccc(NC(=S)NC[*:1])c(F)c1
O=[N+]([O-])c1cc(F)ccc1Oc1ncc(Cl)cc1F O=[N+]([O-])[*:1] Fc1ccc(Oc2ncc(Cl)cc2F)c(c1)[*:1]
CCCc1cc(C(=O)NC[C@@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)n(C)n1 CCC[*:1] Cc1cnc(C)c(n1)-c1ccc2O[C@H](CNC(=O)c3cc(nn3C)[*:1])Cc2c1
CCCc1cc(C(=O)NC[C@@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)n(C)n1 CCCc1cc(n(C)n1)[*:1] Cc1cnc(C)c(n1)-c1ccc2O[C@H](CNC(=O)[*:1])Cc2c1
CCCc1cc(C(=O)NC[C@@H]2Cc3cc(-c4nc(C)cnc4C)ccc3O2)n(C)n1 Cc1cnc(C)c(n1)[*:1] CCCc1cc(C(=O)NC[C@@H]2Cc3cc(ccc3O2)[*:1])n(C)n1
Cc1ccc(C(=O)NCc2scnc2C)c(F)c1 Cc1ncsc1[*:1] Cc1ccc(C(=O)NC[*:1])c(F)c1
C[C@@]1(CNC(=O)c2cn(CCc3ccccc3)nn2)CCCO1 c1ccc(cc1)[*:1] C[C@]1(CCCO1)CNC(=O)c1cn(CC[*:1])nn1
C[C@@]1(CNC(=O)c2cn(CCc3ccccc3)nn2)CCCO1 c1ccc(cc1)C[*:1] C[C@]1(CCCO1)CNC(=O)c1cn(C[*:1])nn1
Cn1cc([C@H](O)CNC(=O)c2ccnc(OC3CCCCC3)c2)cn1 C1CCC(CC1)[*:1] Cn1cc(cn1)[C@H](O)CNC(=O)c1ccnc(c1)O[*:1]
Cn1cc([C@H](O)CNC(=O)c2ccnc(OC3CCCCC3)c2)cn1 C1CCC(CC1)O[*:1] Cn1cc(cn1)[C@H](O)CNC(=O)c1ccnc(c1)[*:1]
Cn1cc([C@H](O)CNC(=O)c2ccnc(OC3CCCCC3)c2)cn1 Cn1cc(cn1)[*:1] O=C(NC[C@@H](O)[*:1])c1ccnc(c1)OC1CCCCC1
N#C[C@@H](C(=O)C[C@@H]1CCCO1)c1ccccn1 C1CO[C@@H](C1)[*:1] N#C[C@@H](C(=O)C[*:1])c1ccccn1
CCc1nn(C)cc1NC(=O)c1ccccc1OCc1noc(C)n1 Cc1nc(no1)[*:1] CCc1nn(C)cc1NC(=O)c1ccccc1OC[*:1]
CCc1nn(C)cc1NC(=O)c1ccccc1OCc1noc(C)n1 Cc1nc(CO[*:1])no1 CCc1nn(C)cc1NC(=O)c1ccccc1[*:1]
CCc1nn(C)cc1NC(=O)c1ccccc1OCc1noc(C)n1 CCc1nn(C)cc1[*:1] Cc1nc(COc2ccccc2C(=O)N[*:1])no1
CCc1nn(C)cc1NC(=O)c1ccccc1OCc1noc(C)n1 Cc1nc(C[*:1])no1 CCc1nn(C)cc1NC(=O)c1ccccc1O[*:1]
COC(=O)c1ccc(C[NH+]2Cc3ccc(N)cc3C2)nc1 COC(=O)[*:1] Nc1ccc2C[NH+](Cc3ccc(cn3)[*:1])Cc2c1
CCN1C(=O)[C@H]2[C@@H](c3ccc(O)c(OC)c3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O COC(=O)[*:1] CCN1C(=O)[C@H]2[C@H](N[C@@](C)([C@@H]2C1=O)[*:1])c1ccc(O)c(c1)OC
COC[C@@](C)([NH3+])Cc1nccn1C COC[*:1] Cn1ccnc1C[C@@](C)([NH3+])[*:1]
c1coc(-c2nnc3n2C2(CCCC2)Cc2ccccc2-3)c1 c1coc(c1)[*:1] c1ccc2c(c1)CC1(CCCC1)n1c-2nnc1[*:1]
Cn1cc(C(=O)Nc2cccc(N3CCOC3=O)c2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2cccc(c2)N2CCOC2=O)c(n1)[*:1]
Cn1cc(C(=O)Nc2cccc(N3CCOC3=O)c2)c(C(C)(C)C)n1 O=C1OCCN1[*:1] Cn1cc(C(=O)Nc2cccc(c2)[*:1])c(n1)C(C)(C)C
CO[C@]1(C)C[C@@H](NC(=O)c2ccccc2-c2cncnc2)C1(C)C c1ncc(cn1)[*:1] CO[C@]1(C)C[C@@H](NC(=O)c2ccccc2[*:1])C1(C)C
C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(CCC[NH3+])CC1 [NH3+]CCC[*:1] C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(CC1)[*:1]
C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(CCC[NH3+])CC1 [NH3+]CC[*:1] C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(CC1)C[*:1]
CCC(CC)(CC(=O)Nc1cccc(Cl)c1F)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(CC(=O)Nc1cccc(Cl)c1F)[*:1]
[NH3+][C@H]1C=C[C@@H](C(=O)NC2(CC(=O)[O-])CCCCC2)C1 O=C([O-])[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)NC1(CCCCC1)C[*:1]
[NH3+][C@H]1C=C[C@@H](C(=O)NC2(CC(=O)[O-])CCCCC2)C1 O=C([O-])C[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)NC1(CCCCC1)[*:1]
C=CC[NH+]1CCC(NC(=O)N2CC=C(c3ccc(CC)cc3)CC2)CC1 CCc1ccc(cc1)[*:1] C=CC[NH+]1CCC(CC1)NC(=O)N1CC=C(CC1)[*:1]
CC(C)Oc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1 CC(C)O[*:1] O=C([O-])C[C@@H](C(=O)[O-])c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)Oc1ccc(cc1)[C@@H](CC(=O)[O-])[*:1]
CC(C)Oc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1 CC(C)[*:1] O=C([O-])C[C@@H](C(=O)[O-])c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1 O=C([O-])C[*:1] CC(C)Oc1ccc(cc1)[C@@H](C(=O)[O-])[*:1]
CC(C)Oc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)Oc1ccc(cc1)[C@@H](C[*:1])C(=O)[O-]
CC1(C)C(C(=O)NCc2nc[nH]n2)C1(C)C c1nc(n[nH]1)[*:1] CC1(C)C(C(=O)NC[*:1])C1(C)C
C[C@H](Cc1cccs1)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](Cc1cccs1)NC(=O)C(C)(C)O[*:1]
C[C@H](Cc1cccs1)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)C(C)(C)Oc1ccc(Cl)cc1
C[C@H](Cc1cccs1)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 c1csc(c1)C[*:1] C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[*:1]
COCCN1CCN(CC[NH+]2CCCC2)CC1=O COCC[*:1] O=C1CN(CCN1[*:1])CC[NH+]1CCCC1
COCCN1CCN(CC[NH+]2CCCC2)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])CC[NH+]1CCCC1
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2cn(C)nc2C(C)(C)C)c1 CC(C)(C)[*:1] CC(C)OC(=O)c1ccc(Cl)c(c1)NC(=O)c1cn(C)nc1[*:1]
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2cn(C)nc2C(C)(C)C)c1 CC(C)[*:1] Cn1cc(C(=O)Nc2cc(ccc2Cl)C(=O)O[*:1])c(n1)C(C)(C)C
CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2cn(C)nc2C(C)(C)C)c1 CC(C)OC(=O)[*:1] Cn1cc(C(=O)Nc2cc(ccc2Cl)[*:1])c(n1)C(C)(C)C
C[C@H](Cc1ccco1)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] c1coc(c1)C[*:1] C[C@H](NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[*:1]
C[C@H](Cc1ccco1)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] c1coc(c1)[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+]
O=C(Cn1cccc(C(F)(F)F)c1=O)NO[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] O=C(Cn1cccc(c1=O)C(F)(F)F)NO[*:1]
O=C(Cn1cccc(C(F)(F)F)c1=O)NO[C@@H]1CCCCO1 FC(F)(F)[*:1] O=C(Cn1cccc(c1=O)[*:1])NO[C@@H]1CCCCO1
Cc1cc(CNC(=O)[C@H]2Cc3[nH+]c[nH]c3CN2)no1 Cc1cc(no1)[*:1] O=C(NC[*:1])[C@H]1Cc2[nH+]c[nH]c2CN1
CCOC(=O)CCC(=O)N1CCC[C@H]2CCCC[C@H]21 CCOC(=O)C[*:1] O=C(C[*:1])N1CCC[C@H]2CCCC[C@H]21
CCOC(=O)CCC(=O)N1CCC[C@H]2CCCC[C@H]21 CCOC(=O)[*:1] O=C(CC[*:1])N1CCC[C@H]2CCCC[C@H]21
COc1ncnc(NCc2c(C)noc2C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ncnc(NCc2c(C)noc2C)c1[*:1]
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccncc1 Clc1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)N[C@H](C)c1ccncc1
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)[*:1]
NC(=O)NCCCCC(=O)N[C@@H]1CCCc2ccccc21 NC(=O)NCC[*:1] O=C(CC[*:1])N[C@@H]1CCCc2ccccc21
NC(=O)NCCCCC(=O)N[C@@H]1CCCc2ccccc21 NC(=O)N[*:1] O=C(CCCC[*:1])N[C@@H]1CCCc2ccccc21
NC(=O)NCCCCC(=O)N[C@@H]1CCCc2ccccc21 NC(=O)NCCC[*:1] O=C(C[*:1])N[C@@H]1CCCc2ccccc21
NC(=O)NCCCCC(=O)N[C@@H]1CCCc2ccccc21 NC(=O)NC[*:1] O=C(CCC[*:1])N[C@@H]1CCCc2ccccc21
CC[C@H](Nc1cc(C#N)ccc1OC(C)C)C(=O)Nc1cc(C)on1 CC(C)O[*:1] CC[C@H](Nc1cc(C#N)ccc1[*:1])C(=O)Nc1cc(C)on1
CC[C@H](Nc1cc(C#N)ccc1OC(C)C)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@H](Nc1cc(C#N)ccc1OC(C)C)C(=O)N[*:1]
CC[C@H](Nc1cc(C#N)ccc1OC(C)C)C(=O)Nc1cc(C)on1 CC(C)[*:1] CC[C@H](Nc1cc(C#N)ccc1O[*:1])C(=O)Nc1cc(C)on1
COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)c(OC)c1 FC(F)[*:1] COc1ccc(C(=O)Nc2ccc(cc2)O[*:1])c(c1)OC
COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)c(OC)c1 FC(F)O[*:1] COc1ccc(C(=O)Nc2ccc(cc2)[*:1])c(c1)OC
O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nccc(CCC(F)(F)F)n2)C1 FC(F)(F)[*:1] O=c1cccc2[C@H]3C[C@H](CN(C3)c3nccc(CC[*:1])n3)Cn21
O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nccc(CCC(F)(F)F)n2)C1 FC(F)(F)CC[*:1] O=c1cccc2[C@H]3C[C@H](CN(C3)c3nccc(n3)[*:1])Cn21
O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nccc(CCC(F)(F)F)n2)C1 FC(F)(F)C[*:1] O=c1cccc2[C@H]3C[C@H](CN(C3)c3nccc(C[*:1])n3)Cn21
Cc1sc(NC(=O)C(C)(C)C)nc1-c1ccc2c(c1)NC(=O)CO2 CC(C)(C)[*:1] Cc1sc(nc1-c1ccc2OCC(=O)Nc2c1)NC(=O)[*:1]
Cc1sc(NC(=O)C(C)(C)C)nc1-c1ccc2c(c1)NC(=O)CO2 CC(C)(C)C(=O)N[*:1] Cc1sc(nc1-c1ccc2OCC(=O)Nc2c1)[*:1]
Cc1ccc(S(=O)(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cccc1[*:1]
Cc1ccc(S(=O)(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1NS(=O)(=O)[*:1])[N+](=O)[O-]
O=C(Cc1ccc(F)c(F)c1)NCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(Cc1ccc(F)c(F)c1)NCC[*:1]
C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1cccc(Cl)c1)n2C Clc1cccc(c1)CS[*:1] C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(n2C)[*:1]
C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1cccc(Cl)c1)n2C C=CCO[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2c1ccccc1[*:1])SCc1cccc(Cl)c1
C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1cccc(Cl)c1)n2C C=CC[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2c1ccccc1O[*:1])SCc1cccc(Cl)c1
C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1cccc(Cl)c1)n2C Clc1cccc(c1)[*:1] C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SC[*:1])n2C
C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1cccc(Cl)c1)n2C Clc1cccc(c1)C[*:1] C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(S[*:1])n2C
C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1cccc(Cl)c1)n2C C=CCOc1ccccc1[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2[*:1])SCc1cccc(Cl)c1
Cn1ccnc1[C@](O)(CC(=O)N[C@@H]1CCc2ccccc21)C(F)(F)F Cn1ccnc1[*:1] O=C(C[C@@](O)(C(F)(F)F)[*:1])N[C@@H]1CCc2ccccc21
Cn1ccnc1[C@](O)(CC(=O)N[C@@H]1CCc2ccccc21)C(F)(F)F FC(F)(F)[*:1] Cn1ccnc1[C@](O)(CC(=O)N[C@@H]1CCc2ccccc21)[*:1]
CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccs1 c1ccc(cc1)[*:1] CC[C@@H](CS(=O)(=O)[*:1])[NH2+][C@@H](C)c1cccs1
CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccs1 c1csc(c1)[*:1] CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)[*:1]
CCOC(=O)c1c(C)oc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)nc(N)c12 CCOC(=O)[*:1] Cc1oc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)nc(N)c2c1[*:1]
CC(=O)NCCNS(=O)(=O)c1c(C)cc(C)cc1C CC(=O)NCC[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N[*:1]
CC(=O)NCCNS(=O)(=O)c1c(C)cc(C)cc1C CC(=O)NC[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NC[*:1]
CC(=O)NCCNS(=O)(=O)c1c(C)cc(C)cc1C CC(=O)N[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCC[*:1]
COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N(C)OC CON(C)S(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cccc(Cl)c1
COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N(C)OC Clc1cccc(c1)[*:1] COc1ccc(cc1S(=O)(=O)N(C)OC)C(=O)N[*:1]
COc1ccccc1Cn1c(SCc2ccccc2F)nc2nccnc2c1=O Fc1ccccc1C[*:1] COc1ccccc1Cn1c(nc2nccnc2c1=O)S[*:1]
COc1ccccc1Cn1c(SCc2ccccc2F)nc2nccnc2c1=O COc1ccccc1[*:1] O=c1c2nccnc2nc(SCc2ccccc2F)n1C[*:1]
COc1ccccc1Cn1c(SCc2ccccc2F)nc2nccnc2c1=O Fc1ccccc1[*:1] COc1ccccc1Cn1c(nc2nccnc2c1=O)SC[*:1]
COc1ccccc1Cn1c(SCc2ccccc2F)nc2nccnc2c1=O COc1ccccc1C[*:1] O=c1c2nccnc2nc(SCc2ccccc2F)n1[*:1]
COc1ccccc1Cn1c(SCc2ccccc2F)nc2nccnc2c1=O Fc1ccccc1CS[*:1] COc1ccccc1Cn1c(nc2nccnc2c1=O)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(F)cc3)cs2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)[N-]c1nc(cs1)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(F)cc3)cs2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)([N-]c1nc(cs1)-c1ccc(F)cc1)[*:1]
Cc1cccc(CNC(=O)NCc2cccc([N+]3=CCCC3)c2)c1 Cc1cccc(c1)[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)NC[*:1]
Cc1cccc(CNC(=O)NCc2cccc([N+]3=CCCC3)c2)c1 Cc1cccc(c1)C[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)N[*:1]
CCC[NH+]1CCC(C[NH2+]Cc2ccc(C)c(F)c2)CC1 CCC[*:1] Cc1ccc(cc1F)C[NH2+]CC1CC[NH+](CC1)[*:1]
CC(=O)N1CCc2cc(NC(=O)CCCNS(=O)(=O)c3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)CCCNS(=O)(=O)[*:1]
C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 C1CN(CCO1)[*:1] C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@@H]2C[*:1])C1
C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@@H]2CN2CCOCC2)C1 C1CN(CCO1)C[*:1] C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@H]2[*:1])C1
O=S(=O)(NCc1ccccc1)c1ccc(-c2cnc(C3CC3)o2)s1 C1CC1[*:1] O=S(=O)(NCc1ccccc1)c1ccc(s1)-c1cnc(o1)[*:1]
O=S(=O)(NCc1ccccc1)c1ccc(-c2cnc(C3CC3)o2)s1 c1ccc(cc1)[*:1] O=S(=O)(NC[*:1])c1ccc(s1)-c1cnc(o1)C1CC1
O=S(=O)(NCc1ccccc1)c1ccc(-c2cnc(C3CC3)o2)s1 c1ccc(cc1)C[*:1] O=S(=O)(N[*:1])c1ccc(s1)-c1cnc(o1)C1CC1
O=S(=O)(NCc1ccccc1)c1ccc(-c2cnc(C3CC3)o2)s1 c1nc(oc1[*:1])C1CC1 O=S(=O)(NCc1ccccc1)c1ccc(s1)[*:1]
CC(=O)c1ccc(NC(=O)N2CCN(CC3CCCC3)C(=O)C2)cc1C C1CCC(C1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N1CCN(C[*:1])C(=O)C1
CC(=O)c1ccc(NC(=O)N2CCN(CC3CCCC3)C(=O)C2)cc1C C1CCC(C1)C[*:1] CC(=O)c1ccc(cc1C)NC(=O)N1CCN(C(=O)C1)[*:1]
CC(=O)c1ccc(NC(=O)N2CCN(CC3CCCC3)C(=O)C2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CCN(CC2CCCC2)C(=O)C1
COc1cc2c(c(OC)c1)[C@H](C)C[C@H](CC(=O)[O-])C2 O=C([O-])[*:1] COc1cc2C[C@H](C[C@@H](C)c2c(c1)OC)C[*:1]
COc1cc2c(c(OC)c1)[C@H](C)C[C@H](CC(=O)[O-])C2 O=C([O-])C[*:1] COc1cc2C[C@@H](C[C@@H](C)c2c(c1)OC)[*:1]
COc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)c1 COc1cccc(c1)[*:1] Cc1cccc(c1)C(=O)N1CCc2ccc(cc21)CNC(=O)N[*:1]
COc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)c1 Cc1cccc(c1)[*:1] COc1cccc(c1)NC(=O)NCc1ccc2CCN(C(=O)[*:1])c2c1
O=C(Cc1ccc(CNC(=O)c2ccc3sncc3c2)cc1)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(NCc1ccc(cc1)C[*:1])c1ccc2sncc2c1
O=C(Cc1ccc(CNC(=O)c2ccc3sncc3c2)cc1)NC1CCCCC1 c1cc2sncc2cc1[*:1] O=C(Cc1ccc(cc1)CNC(=O)[*:1])NC1CCCCC1
O=C(Cc1ccc(CNC(=O)c2ccc3sncc3c2)cc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1ccc(cc1)CNC(=O)c1ccc2sncc2c1)N[*:1]
O=C(c1cccc(N2CCCC2=O)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)N1CCCC1=O)N1CCN(CC1)Cc1csc(n1)[*:1]
O=C(c1cccc(N2CCCC2=O)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 O=C1CCCN1[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)Cc1csc(n1)-c1ccccc1
CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)c1cc(ncn1)N1CCCC1
CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1 C1CCN(C1)[*:1] CCOc1ccc(cc1)NC(=O)N1CCN(CC1)c1cc(ncn1)[*:1]
CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(CC1)c1cc(ncn1)N1CCCC1
Cc1ccc2c(c1)=[NH+][C@H](SCC(=O)Nc1ncccn1)[NH+]=2 c1cnc(nc1)[*:1] Cc1ccc2=[NH+][C@H]([NH+]=c2c1)SCC(=O)N[*:1]
CCOCc1nc(C)cc(NS(=O)(=O)c2ccc(N)cc2)n1 CCOC[*:1] Cc1cc(nc(n1)[*:1])NS(=O)(=O)c1ccc(N)cc1
CCOCc1nc(C)cc(NS(=O)(=O)c2ccc(N)cc2)n1 Nc1ccc(cc1)[*:1] CCOCc1nc(C)cc(n1)NS(=O)(=O)[*:1]
CCOCc1nc(C)cc(NS(=O)(=O)c2ccc(N)cc2)n1 CCO[*:1] Cc1cc(nc(C[*:1])n1)NS(=O)(=O)c1ccc(N)cc1
CCCn1cncc1[C@H](C[NH3+])N1C[C@@H](C)[C@@H](C)C1 CCC[*:1] C[C@@H]1CN(C[C@@H]1C)[C@@H](C[NH3+])c1cncn1[*:1]
C=CCCC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 C=CC[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccncc1
C=CCCC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C=CCCC(=O)N[C@H](C)c1ccc(cc1)[*:1]
C=CCCC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 C=CCCC(=O)N[*:1] C[C@H](c1ccc(cc1)-c1ccncc1)[*:1]
C=CCCC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 C=CCC[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-c1ccncc1
CC(C)(C)C[NH+](Cc1ccccc1)Cc1cc([O-])n2nccc2n1 CC(C)(C)[*:1] [O-]c1cc(C[NH+](Cc2ccccc2)C[*:1])nc2ccnn12
CC(C)(C)C[NH+](Cc1ccccc1)Cc1cc([O-])n2nccc2n1 CC(C)(C)C[*:1] [O-]c1cc(C[NH+](Cc2ccccc2)[*:1])nc2ccnn12
CC(C)(C)C[NH+](Cc1ccccc1)Cc1cc([O-])n2nccc2n1 c1ccc(cc1)C[*:1] CC(C)(C)C[NH+](Cc1cc([O-])n2nccc2n1)[*:1]
CC(C)(C)C[NH+](Cc1ccccc1)Cc1cc([O-])n2nccc2n1 c1ccc(cc1)[*:1] CC(C)(C)C[NH+](Cc1cc([O-])n2nccc2n1)C[*:1]
COC(=O)C1(NC(=O)c2cc(OC)c3c(c2)OCCO3)CCCCC1 COC(=O)[*:1] COc1cc(cc2OCCOc12)C(=O)NC1(CCCCC1)[*:1]
CO/N=C/c1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1 CON=C[*:1] Cc1ccc(NC(=O)c2ccc(cc2)[*:1])c(Cl)c1
Cc1ccc(NC(=O)CCNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)nc1 Cc1ccc(nc1)[*:1] O=C(CCNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)N[*:1]
Cc1ccc(NC(=O)CCNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)nc1 C1CCC(CC1)[*:1] Cc1ccc(nc1)NC(=O)CCNC(=O)N[C@@H]1C[C@H]1[*:1]
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(cc1)[*:1]
CCn1nc(C(=O)NNC(=O)c2cccc(F)c2)c2ccccc2c1=O Fc1cccc(c1)[*:1] CCn1nc(C(=O)NNC(=O)[*:1])c2ccccc2c1=O
CC[NH+](C)CCNc1cc(CSC)ccn1 CSC[*:1] CC[NH+](C)CCNc1cc(ccn1)[*:1]
O=C(CNC(=O)c1cccc(OC(F)F)c1)NNC(=O)[C@H]1COc2ccccc2O1 FC(F)[*:1] O=C(CNC(=O)c1cccc(c1)O[*:1])NNC(=O)[C@H]1COc2ccccc2O1
O=C(CNC(=O)c1cccc(OC(F)F)c1)NNC(=O)[C@H]1COc2ccccc2O1 FC(F)Oc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])NNC(=O)[C@H]1COc2ccccc2O1
O=C(CNC(=O)c1cccc(OC(F)F)c1)NNC(=O)[C@H]1COc2ccccc2O1 FC(F)O[*:1] O=C(CNC(=O)c1cccc(c1)[*:1])NNC(=O)[C@H]1COc2ccccc2O1
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1nc2nc(C)cc(C)n2n1 Fc1ccc(cc1)C[*:1] CCN(CC(=O)N[*:1])C(=O)c1nc2nc(C)cc(C)n2n1
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1nc2nc(C)cc(C)n2n1 Fc1ccc(cc1)[*:1] CCN(CC(=O)NC[*:1])C(=O)c1nc2nc(C)cc(C)n2n1
CCOC(=O)c1cc(C(C)C)sc1NC(=O)C=C(C)C CC(C)=C[*:1] CCOC(=O)c1cc(sc1NC(=O)[*:1])C(C)C
CCOC(=O)c1cc(C(C)C)sc1NC(=O)C=C(C)C CCOC(=O)[*:1] CC(C)=CC(=O)Nc1sc(cc1[*:1])C(C)C
CCOC(=O)c1cc(C(C)C)sc1NC(=O)C=C(C)C CC(C)[*:1] CCOC(=O)c1cc(sc1NC(=O)C=C(C)C)[*:1]
CN(c1ccccn1)S(=O)(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CN(c1ccccn1)S(=O)(=O)C=C[*:1]
CN(c1ccccn1)S(=O)(=O)/C=C/c1ccccc1 c1ccc(nc1)[*:1] CN(S(=O)(=O)/C=C/c1ccccc1)[*:1]
Cc1nc(CS[C@@H](C)C(=O)N(C)C)no1 CN(C)C(=O)[*:1] Cc1nc(CS[C@@H](C)[*:1])no1
C[C@@H](NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C[C@@H](NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)[*:1]
Cc1ccc2c(c1)c1nnc(SCC(=O)N(C)C3CCCCC3)nc1n2C C1CCC(CC1)[*:1] Cc1ccc2c(c1)c1nnc(nc1n2C)SCC(=O)N(C)[*:1]
CC[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)[*:1]
COc1cccc(CC(=O)Nc2ccc(-n3ccnc3)nc2)c1 c1cn(cn1)[*:1] COc1cccc(c1)CC(=O)Nc1ccc(nc1)[*:1]
N#Cc1c(SCn2cc(Br)cn2)nc(C(F)(F)F)c2c1CCC2 Brc1cnn(c1)[*:1] N#Cc1c(nc(c2CCCc12)C(F)(F)F)SC[*:1]
N#Cc1c(SCn2cc(Br)cn2)nc(C(F)(F)F)c2c1CCC2 Brc1cnn(c1)C[*:1] N#Cc1c(nc(c2CCCc12)C(F)(F)F)S[*:1]
N#Cc1c(SCn2cc(Br)cn2)nc(C(F)(F)F)c2c1CCC2 FC(F)(F)[*:1] N#Cc1c(nc(c2CCCc12)[*:1])SCn1cc(Br)cn1
CCc1nnc2ccc(S(=O)(=O)N(CC)c3ccccc3)cn12 c1ccc(cc1)[*:1] CCc1nnc2ccc(cn12)S(=O)(=O)N(CC)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H](Sc2ccc(C(=O)[O-])cn2)C1 CS(=O)(=O)[*:1] O=C([O-])c1ccc(nc1)S[C@@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H](Sc2ccc(C(=O)[O-])cn2)C1 O=C([O-])[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)Sc1ccc(cn1)[*:1]
CO[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] CO[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)[*:1]
O=C(Cn1ccc(C(F)(F)F)n1)NC[C@H]1CN2CCCC[C@@H]2CO1 FC(F)(F)[*:1] O=C(Cn1ccc(n1)[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
[NH3+][C@@]1(C(=O)[O-])CC[C@H](Oc2ccccc2[N+](=O)[O-])C1 O=C([O-])[*:1] [NH3+][C@]1(CC[C@@H](C1)Oc1ccccc1[N+](=O)[O-])[*:1]
[NH3+][C@@]1(C(=O)[O-])CC[C@H](Oc2ccccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] [NH3+][C@]1(CC[C@@H](C1)Oc1ccccc1[*:1])C(=O)[O-]
Cc1ccc([C@H](CNC(=O)NC[C@H](O)c2ccc(Cl)cc2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1)[*:1]
Cc1ccc([C@H](CNC(=O)NC[C@H](O)c2ccc(Cl)cc2)[NH+](C)C)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)NC[C@H](O)[*:1])[NH+](C)C
C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 NC(=O)N1CCC[C@H]1[*:1] C[C@H](c1ccc(F)cc1F)N1CCN(CC1)C(=O)[*:1]
C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 Fc1ccc(c(F)c1)[*:1] C[C@H](N1CCN(CC1)C(=O)[C@@H]1CCCN1C(N)=O)[*:1]
COC[C@H](O)CC1(C(=O)[O-])CC1 O=C([O-])[*:1] COC[C@H](O)CC1(CC1)[*:1]
COC[C@H](O)CC1(C(=O)[O-])CC1 COC[*:1] O=C([O-])C1(CC1)C[C@@H](O)[*:1]
COc1ccc(CNC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 COc1ccc(cc1)[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NC[*:1]
COc1ccc(CNC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 COc1ccc(cc1)C[*:1] O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)N[*:1]
COc1ccc(CNC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)C[C@@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N Clc1ccccc1[*:1] CCc1ccccc1NC(=O)CSc1nnc(n1N)[*:1]
CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N CCc1ccccc1[*:1] Nn1c(nnc1-c1ccccc1Cl)SCC(=O)N[*:1]
CN(C1CC1)[C@@H](c1ccccc1)[C@H]([NH3+])Cc1ccccc1 CN(C1CC1)[*:1] [NH3+][C@H](Cc1ccccc1)[C@H](c1ccccc1)[*:1]
CN(C1CC1)[C@@H](c1ccccc1)[C@H]([NH3+])Cc1ccccc1 c1ccc(cc1)C[*:1] CN(C1CC1)[C@@H](c1ccccc1)[C@H]([NH3+])[*:1]
CN(C1CC1)[C@@H](c1ccccc1)[C@H]([NH3+])Cc1ccccc1 c1ccc(cc1)[*:1] CN(C1CC1)[C@@H](c1ccccc1)[C@H]([NH3+])C[*:1]
CN(C1CC1)[C@@H](c1ccccc1)[C@H]([NH3+])Cc1ccccc1 c1ccc(cc1)[*:1] CN(C1CC1)[C@@H]([C@H]([NH3+])Cc1ccccc1)[*:1]
CN(C1CC1)[C@@H](c1ccccc1)[C@H]([NH3+])Cc1ccccc1 C1CC1[*:1] CN([C@@H](c1ccccc1)[C@H]([NH3+])Cc1ccccc1)[*:1]
O=C(CN(Cc1ccco1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 c1coc(c1)C[*:1] O=C(CN(c1ccccc1)[*:1])N[C@H]1CCS(=O)(=O)C1
O=C(CN(Cc1ccco1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CN(Cc1ccco1)[*:1])N[C@H]1CCS(=O)(=O)C1
O=C(CN(Cc1ccco1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] O=C(CN(C[*:1])c1ccccc1)N[C@H]1CCS(=O)(=O)C1
N#C/C(C(=O)NC1CCCCC1)=C(\[O-])c1cccc(-c2ccoc2)c1 C1CCC(CC1)[*:1] N#C/C(C(=O)N[*:1])=C(\[O-])c1cccc(c1)-c1ccoc1
N#C/C(C(=O)NC1CCCCC1)=C(\[O-])c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] N#C/C(C(=O)NC1CCCCC1)=C(\[O-])c1cccc(c1)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)Nc1sc(C)c(CC)c1C#N CCC[*:1] CCc1c(C)sc(NC(=O)[C@@H](C)S(=O)(=O)[*:1])c1C#N
CCCS(=O)(=O)[C@H](C)C(=O)Nc1sc(C)c(CC)c1C#N CCCS(=O)(=O)[*:1] CCc1c(C)sc(NC(=O)[C@@H](C)[*:1])c1C#N
O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] O=C(Nc1n[n-]c(n1)C(F)(F)F)c1cccc(c1)[*:1]
O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(-c2ccoc2)c1 FC(F)(F)[*:1] O=C(Nc1n[n-]c(n1)[*:1])c1cccc(c1)-c1ccoc1
Cc1c(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1
Cc1c(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)cnn1C(C)C c1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@@H](C)c1nc(C[*:1])no1
Cc1c(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)cnn1C(C)C c1ccc(cc1)C[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@@H](C)c1nc(no1)[*:1]
C[C@@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccc(Cl)s1 O=[N+]([O-])[*:1] C[C@@H](Nc1cccc(c1[*:1])S(C)(=O)=O)c1ccc(Cl)s1
C[C@@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](Nc1cccc(c1[N+](=O)[O-])S(C)(=O)=O)[*:1]
C[C@@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1ccc(Cl)s1 CS(=O)(=O)[*:1] C[C@@H](Nc1cccc(c1[N+](=O)[O-])[*:1])c1ccc(Cl)s1
Cn1ccc(C(=O)NC2(c3ccccc3)CCC2)cc1=O c1ccc(cc1)[*:1] Cn1ccc(cc1=O)C(=O)NC1(CCC1)[*:1]
COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1cc2nn(nc2cc1NC(=S)NC(=O)c1ccc2OCOc2c1)[*:1]
COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1Cl c1cc2OCOc2cc1[*:1] COc1ccc(cc1Cl)-n1nc2cc(C)c(cc2n1)NC(=S)NC(=O)[*:1]
CCc1ccccc1NC(=O)[C@H](CC)N1C(=O)[C@@H](C)N=C(c2ccccc2)c2ccccc21 CCc1ccccc1NC(=O)[*:1] CC[C@H](N1C(=O)[C@@H](C)N=C(c2ccccc2)c2ccccc21)[*:1]
CCc1ccccc1NC(=O)[C@H](CC)N1C(=O)[C@@H](C)N=C(c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)[C@H](CC)N1C(=O)[C@@H](C)N=C(c2ccccc21)[*:1]
CCc1ccccc1NC(=O)[C@H](CC)N1C(=O)[C@@H](C)N=C(c2ccccc2)c2ccccc21 CCc1ccccc1[*:1] CC[C@@H](C(=O)N[*:1])N1C(=O)[C@@H](C)N=C(c2ccccc2)c2ccccc21
CSc1ccccc1C(=O)N1CC(=O)N(c2ccccc2C)C[C@H]1C Cc1ccccc1[*:1] CSc1ccccc1C(=O)N1CC(=O)N(C[C@H]1C)[*:1]
CSc1ccccc1C(=O)N1CC(=O)N(c2ccccc2C)C[C@H]1C CSc1ccccc1[*:1] Cc1ccccc1N1C[C@@H](C)N(CC1=O)C(=O)[*:1]
CCCC1(CCC)C[NH+]([C@H](C)[C@@H]2CCC[NH2+]C2)C1 CCC[*:1] CCCC1(C[NH+](C1)[C@H](C)[C@@H]1CCC[NH2+]C1)[*:1]
CC(C)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O CC(C)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(Br)cc1
CC(C)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O CC(C)C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(Br)cc1
CCCCS[C@@H](C)C(=O)Nc1cc(Cl)ccc1-n1cncn1 CCCCS[C@@H](C)[*:1] O=C(Nc1cc(Cl)ccc1-n1cncn1)[*:1]
CCCCS[C@@H](C)C(=O)Nc1cc(Cl)ccc1-n1cncn1 c1ncn(n1)[*:1] CCCCS[C@@H](C)C(=O)Nc1cc(Cl)ccc1[*:1]
CCCCS[C@@H](C)C(=O)Nc1cc(Cl)ccc1-n1cncn1 CCC[*:1] C[C@H](SC[*:1])C(=O)Nc1cc(Cl)ccc1-n1cncn1
CCCCS[C@@H](C)C(=O)Nc1cc(Cl)ccc1-n1cncn1 CCCC[*:1] C[C@H](S[*:1])C(=O)Nc1cc(Cl)ccc1-n1cncn1
CCCCS[C@@H](C)C(=O)Nc1cc(Cl)ccc1-n1cncn1 CCCCS[*:1] C[C@@H](C(=O)Nc1cc(Cl)ccc1-n1cncn1)[*:1]
CN(C[C@@H]1Cc2ccccc2CN1C)c1ccncn1 c1cc(ncn1)[*:1] CN1Cc2ccccc2C[C@H]1CN(C)[*:1]
CCC[NH2+][C@@]1(CO)CC[C@@H]([NH+]2CCCC2)C1 CCC[NH2+][*:1] OC[C@]1(CC[C@H](C1)[NH+]1CCCC1)[*:1]
CCC[NH2+][C@@]1(CO)CC[C@@H]([NH+]2CCCC2)C1 CCC[*:1] OC[C@@]1(CC[C@H](C1)[NH+]1CCCC1)[NH2+][*:1]
Cc1ccccc1-c1nnc(SCC(=O)c2cc3ccccc3oc2=O)o1 Cc1ccccc1[*:1] O=C(CSc1nnc(o1)[*:1])c1cc2ccccc2oc1=O
Cc1ccc(O)c(C(=O)N2CCN(Cc3cccnc3)CC2)c1 c1cncc(c1)[*:1] Cc1ccc(O)c(c1)C(=O)N1CCN(CC1)C[*:1]
Cc1ccc(O)c(C(=O)N2CCN(Cc3cccnc3)CC2)c1 c1cncc(c1)C[*:1] Cc1ccc(O)c(c1)C(=O)N1CCN(CC1)[*:1]
C=C(C)[C@]1(C)C[C@@H]1C(=O)Cl O=C(Cl)[*:1] C=C(C)[C@]1(C)C[C@H]1[*:1]
C=C(C)[C@]1(C)C[C@@H]1C(=O)Cl C=C(C)[*:1] C[C@@]1(C[C@@H]1C(=O)Cl)[*:1]
C[C@H]1C[C@@H](NC(=O)NCCc2ncnn2C)C(=O)N1c1ccccc1 Cn1ncnc1[*:1] C[C@H]1C[C@@H](NC(=O)NCC[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@@H](NC(=O)NCCc2ncnn2C)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](NC(=O)NCCc2ncnn2C)C(=O)N1[*:1]
C[C@H]1C[C@@H](NC(=O)NCCc2ncnn2C)C(=O)N1c1ccccc1 Cn1ncnc1C[*:1] C[C@H]1C[C@@H](NC(=O)NC[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@@H](NC(=O)NCCc2ncnn2C)C(=O)N1c1ccccc1 Cn1ncnc1CC[*:1] C[C@H]1C[C@@H](NC(=O)N[*:1])C(=O)N1c1ccccc1
O=C([O-])Cc1ccc(Cl)nc1 O=C([O-])[*:1] Clc1ccc(cn1)C[*:1]
CCn1cc(S(=O)(=O)NNC(=O)c2cc(C3CC3)n[nH]2)cn1 CCn1cc(cn1)[*:1] O=C(NNS(=O)(=O)[*:1])c1cc(n[nH]1)C1CC1
CCn1cc(S(=O)(=O)NNC(=O)c2cc(C3CC3)n[nH]2)cn1 C1CC1[*:1] CCn1cc(cn1)S(=O)(=O)NNC(=O)c1cc(n[nH]1)[*:1]
CC(C)NS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1 CC(C)[*:1] O=C1C[C@@H](CN1)c1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1 O=C1C[C@@H](CN1)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)S[*:1] CC(C)[C@H](NC(=O)[C@H](C)[*:1])c1nc2ccccc2[nH]1
CC(C)[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1nc2ccccc2[nH]1 CC(C)[*:1] C[C@H](Sc1ccccc1)C(=O)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[C@H](C)S[*:1])c1nc2ccccc2[nH]1
C[C@H]1OCC[C@H]1C(=O)NN(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)NN(Cc1ccccc1)[*:1]
C[C@H]1OCC[C@H]1C(=O)NN(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)NN(C[*:1])c1ccccc1
C[C@H]1OCC[C@H]1C(=O)NN(Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1OCC[C@H]1C(=O)NN(c1ccccc1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2cccc(Cl)c2)cc1 CCO[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCS[C@H]1c1cccc(Cl)c1
CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CCS[C@@H]1[*:1]
Cc1cc(C(=O)NCC[C@@H]2CCCO2)cc(C)c1OCc1cccnc1 c1cncc(c1)[*:1] Cc1cc(cc(C)c1OC[*:1])C(=O)NCC[C@@H]1CCCO1
Cc1cc(C(=O)NCC[C@@H]2CCCO2)cc(C)c1OCc1cccnc1 c1cncc(c1)CO[*:1] Cc1cc(cc(C)c1[*:1])C(=O)NCC[C@@H]1CCCO1
Cc1cc(C(=O)NCC[C@@H]2CCCO2)cc(C)c1OCc1cccnc1 c1cncc(c1)C[*:1] Cc1cc(cc(C)c1O[*:1])C(=O)NCC[C@@H]1CCCO1
Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)sc1C Cc1cc(sc1C)[*:1] O=S(=O)(N1CCCC[C@@H]1C1OCCO1)[*:1]
Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)sc1C C1COC(O1)[*:1] Cc1cc(sc1C)S(=O)(=O)N1CCCC[C@H]1[*:1]
C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(F)cc1 N#Cc1ccc(cc1)[*:1] C=CCn1c(nnc1-c1ccc(F)cc1)SCC(=O)[*:1]
C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)c1ccc(C#N)cc1
C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(F)cc1 C=CC[*:1] N#Cc1ccc(cc1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1[*:1]
O=C(c1ccc(F)cc1)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 Fc1ccc(cc1)[*:1] O=C1[C@@H]2CCCCN2C(=O)c2ccccc2N1C(=O)[*:1]
CCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccccn2)C1=O CCC[*:1] C[C@]1(NC(=O)N(Cc2nnnn2[*:1])C1=O)c1ccccn1
CCCn1nnnc1CN1C(=O)N[C@@](C)(c2ccccn2)C1=O c1ccc(nc1)[*:1] CCCn1nnnc1CN1C(=O)N[C@@](C)(C1=O)[*:1]
C/C=C/CCNC(=O)N[C@H]1CCO[C@@H]1c1ccccc1 CC=C[*:1] O=C(NCC[*:1])N[C@H]1CCO[C@@H]1c1ccccc1
C/C=C/CCNC(=O)N[C@H]1CCO[C@@H]1c1ccccc1 C/C=C/C[*:1] O=C(NC[*:1])N[C@H]1CCO[C@@H]1c1ccccc1
C/C=C/CCNC(=O)N[C@H]1CCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C/C=C/CCNC(=O)N[C@H]1CCO[C@H]1[*:1]
C/C=C/CCNC(=O)N[C@H]1CCO[C@@H]1c1ccccc1 C/C=C/CC[*:1] O=C(N[C@H]1CCO[C@@H]1c1ccccc1)N[*:1]
CCc1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)CNC(=O)OC(C)(C)C
CCc1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] CC(C)(C)[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)CNC(=O)O[*:1]
CCc1ccccc1NC(=O)CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 CCc1ccccc1[*:1] O=C(CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)N[*:1]
CCc1ccccc1NC(=O)CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] CCc1ccccc1NC(=O)CNC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CCc1ccccc1NC(=O)CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)CNC(=O)N[C@H](C1CC1)[*:1]
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc2c(s1)-c1ccccc1OC2 FC(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1cc2COc3ccccc3-c2s1
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc2c(s1)-c1ccccc1OC2 FC(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)c1cc2COc3ccccc3-c2s1
CCC1(CC)[C@@H](OC)C[C@H]1[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C c1ccc(nc1)[*:1] CCC1(CC)[C@H](C[C@H]1[NH2+][C@@H]1CCN(C[C@@H]1C)C[*:1])OC
CCC1(CC)[C@@H](OC)C[C@H]1[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C c1ccc(C[*:1])nc1 CCC1(CC)[C@H](C[C@H]1[NH2+][C@@H]1CCN(C[C@@H]1C)[*:1])OC
CCn1cc(/C=C2\Oc3c(ccc(OCC(N)=O)c3C)C2=O)c2cc(OC)ccc21 NC(=O)C[*:1] CCn1cc(/C=C2\Oc3c(ccc(O[*:1])c3C)C2=O)c2cc(ccc21)OC
CCn1cc(/C=C2\Oc3c(ccc(OCC(N)=O)c3C)C2=O)c2cc(OC)ccc21 NC(=O)[*:1] CCn1cc(/C=C2\Oc3c(ccc(OC[*:1])c3C)C2=O)c2cc(ccc21)OC
CCn1cc(/C=C2\Oc3c(ccc(OCC(N)=O)c3C)C2=O)c2cc(OC)ccc21 NC(=O)CO[*:1] CCn1cc(/C=C2\Oc3c(ccc(c3C)[*:1])C2=O)c2cc(ccc21)OC
CC(C)(C)c1csc(COc2c(Cl)cc(Cl)cc2CO)n1 CC(C)(C)[*:1] OCc1cc(Cl)cc(Cl)c1OCc1nc(cs1)[*:1]
[NH3+][C@H]1C=C[C@H](CNc2ccccc2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] [NH3+][C@H]1C=C[C@H](CNc2ccccc2[*:1])C1
[NH3+][C@H]1C=C[C@H](CNc2ccccc2Cc2ccccc2)C1 c1ccc(cc1)[*:1] [NH3+][C@H]1C=C[C@H](CNc2ccccc2C[*:1])C1
NC(=O)COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] NC(=O)COc1cccc(c1)[C@@H]1CC(O)=Nc2c1ncn2[*:1]
NC(=O)COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)c1 NC(=O)C[*:1] OC1C[C@@H](c2cccc(c2)O[*:1])c2ncn(-c3ccc(Cl)cc3)c2N=1
NC(=O)COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)c1 NC(=O)[*:1] OC1C[C@@H](c2cccc(c2)OC[*:1])c2ncn(-c3ccc(Cl)cc3)c2N=1
NC(=O)COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)c1 NC(=O)CO[*:1] OC1C[C@@H](c2cccc(c2)[*:1])c2ncn(-c3ccc(Cl)cc3)c2N=1
O=C([O-])CSc1ccc2ccccc2c1 O=C([O-])[*:1] c1ccc2cc(ccc2c1)SC[*:1]
O=C([O-])CSc1ccc2ccccc2c1 O=C([O-])C[*:1] c1ccc2cc(ccc2c1)S[*:1]
O=C([O-])CSc1ccc2ccccc2c1 O=C([O-])CS[*:1] c1ccc2cc(ccc2c1)[*:1]
Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O Cc1ccccc1[*:1] CN(C(=O)[C@@H]1C[C@H]1[*:1])[C@@H]1CCCC[C@@H]1S(C)(=O)=O
Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[*:1]
CC(=O)N(c1nc(CN(CC2CC2)c2ccccc2)cs1)C1CC1 C1CC1C[*:1] CC(=O)N(c1nc(cs1)CN(c1ccccc1)[*:1])C1CC1
CC(=O)N(c1nc(CN(CC2CC2)c2ccccc2)cs1)C1CC1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)CN(CC1CC1)[*:1])C1CC1
CC(=O)N(c1nc(CN(CC2CC2)c2ccccc2)cs1)C1CC1 C1CC1[*:1] CC(=O)N(c1nc(cs1)CN(CC1CC1)c1ccccc1)[*:1]
CC(=O)N(c1nc(CN(CC2CC2)c2ccccc2)cs1)C1CC1 C1CC1[*:1] CC(=O)N(c1nc(cs1)CN(C[*:1])c1ccccc1)C1CC1
CC(=O)N(c1nc(CN(CC2CC2)c2ccccc2)cs1)C1CC1 CC(=O)N(C1CC1)[*:1] c1ccc(cc1)N(Cc1csc(n1)[*:1])CC1CC1
O=C(c1cc(=O)c2ccccc2o1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1 O=c1cc(oc2ccccc12)[*:1] O=C(N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1)[*:1]
O=C(c1cc(=O)c2ccccc2o1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(c1cc(=O)c2ccccc2o1)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 CSc1ccc(cc1)[*:1] CCCOC(=O)C1=C(C)NC2CCCC(=O)C=2[C@H]1[*:1]
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 CCCOC(=O)[*:1] CSc1ccc(cc1)[C@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 CCC[*:1] CSc1ccc(cc1)[C@@H]1C(C(=O)O[*:1])=C(C)NC2CCCC(=O)C=21
C[C@@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)C[C@H](c2ccccc2)O1 CN(C)C(=O)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccccc1)[C@H](c1ccccc1)[*:1]
C[C@@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccccc1)[C@H](C(=O)N(C)C)[*:1]
C[C@@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)[*:1])[C@H](C(=O)N(C)C)c1ccccc1
Cc1nn(-c2ccc(Cl)cc2)c(C)c1/C=C1/Cc2c(O)cccc2C1=O Clc1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=C1/Cc2c(O)cccc2C1=O)[*:1]
CO[C@H](C)c1nc(C(C)C)c(Br)c(=O)[nH]1 CC(C)[*:1] CO[C@H](C)c1nc(c(Br)c(=O)[nH]1)[*:1]
CO[C@H](C)c1nc(C(C)C)c(Br)c(=O)[nH]1 CO[C@H](C)[*:1] CC(C)c1nc([nH]c(=O)c1Br)[*:1]
CCCCc1nc(-c2cccc(OC(=O)C3C[C@@H](C)O[C@H](C)C3)c2)no1 CCCC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Oc1cccc(c1)-c1noc(n1)[*:1]
CCCCc1nc(-c2cccc(OC(=O)C3C[C@@H](C)O[C@H](C)C3)c2)no1 CCC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Oc1cccc(c1)-c1noc(C[*:1])n1
CCn1nc(C)c(NC(=O)N2CCN(CCOC)C(=O)C2)c1C COCC[*:1] CCn1nc(C)c(NC(=O)N2CCN(C(=O)C2)[*:1])c1C
CCn1nc(C)c(NC(=O)N2CCN(CCOC)C(=O)C2)c1C COC[*:1] CCn1nc(C)c(NC(=O)N2CCN(C[*:1])C(=O)C2)c1C
C[C@@H](CCCO)NC(=O)N[C@H]1CCCOc2ccccc21 C[C@@H](CCCO)[*:1] O=C(N[C@H]1CCCOc2ccccc21)N[*:1]
C[C@@H](CCCO)NC(=O)N[C@H]1CCCOc2ccccc21 OCCC[*:1] C[C@@H](NC(=O)N[C@H]1CCCOc2ccccc21)[*:1]
C[C@@H](CCCO)NC(=O)N[C@H]1CCCOc2ccccc21 OCC[*:1] C[C@@H](C[*:1])NC(=O)N[C@H]1CCCOc2ccccc21
Cc1cc(Cl)ccc1N[C@H](C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1cc(Cl)ccc1N[C@H](C)C(=O)N[*:1]
O=C1N=C([O-])[C@@]2(Cc3ccccc3N3CCN(c4ccc(Cl)cc4)C[C@@H]32)C(=O)N1c1ccccc1 Clc1ccc(cc1)[*:1] O=C1N=C([O-])[C@@]2(Cc3ccccc3N3CCN(C[C@@H]32)[*:1])C(=O)N1c1ccccc1
O=C1N=C([O-])[C@@]2(Cc3ccccc3N3CCN(c4ccc(Cl)cc4)C[C@@H]32)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1N=C([O-])[C@@]2(Cc3ccccc3N3CCN(C[C@@H]32)c2ccc(Cl)cc2)C(=O)N1[*:1]
C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@](=O)Cc1nc(-c2ccsc2)no1 c1cc(cs1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)C(C)(C)C)[S@](=O)Cc1nc(no1)[*:1]
C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@](=O)Cc1nc(-c2ccsc2)no1 CC(C)(C)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])[S@](=O)Cc1nc(no1)-c1ccsc1
COc1ccc(OC)c([C@@H](O)C[NH2+]C2CCCCC2)c1 C1CCC(CC1)[*:1] COc1ccc(OC)c(c1)[C@@H](O)C[NH2+][*:1]
CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12
Cc1cccc(C2=CCN(C(=O)[C@@H](C)Oc3cccc(C=O)c3)CC2)c1 O=Cc1cccc(c1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)[C@@H](C)O[*:1]
Cc1cccc(C2=CCN(C(=O)[C@@H](C)Oc3cccc(C=O)c3)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CC=C(CC1)[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)c1ccc2OCOc2c1
O=C(NCc1ccc2c(c1)OCO2)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 FC(F)(F)[*:1] O=C(NCc1ccc2OCOc2c1)c1cc2N[C@@H](C[C@H](n2n1)[*:1])c1ccc2OCOc2c1
O=C(NCc1ccc2c(c1)OCO2)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 c1cc2OCOc2cc1C[*:1] O=C(N[*:1])c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)c1ccc2OCOc2c1
O=C(NCc1ccc2c(c1)OCO2)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 c1cc2OCOc2cc1[*:1] O=C(NCc1ccc2OCOc2c1)c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
[O-]c1[nH]nc(C(F)(F)F)c1/C=N/c1cc(Cl)cc(Cl)c1 FC(F)(F)[*:1] [O-]c1[nH]nc(c1/C=N/c1cc(Cl)cc(Cl)c1)[*:1]
CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 CCOC(=O)N1CCC(CC1)NC(=O)C[C@@H]1C(=O)NCCN1[*:1]
CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)C[C@@H]1C(=O)NCCN1C[*:1]
COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NOC2CCCC2)C1 C1CCC(C1)[*:1] COc1ccc(Cl)cc1N1CC[C@@H](C1)NC(=O)NO[*:1]
COc1cccc(Nc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c1 CN(S(C)(=O)=O)[*:1] COc1cccc(c1)Nc1nc(cs1)-c1ccc(cc1)[*:1]
COc1cccc(Nc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c1 COc1cccc(c1)[*:1] CN(c1ccc(cc1)-c1csc(n1)N[*:1])S(C)(=O)=O
O=C(Nc1ccc(N2CCC[C@H](C(=O)NC3CCCC3)C2)nc1)C1CC1 C1CCC(C1)[*:1] O=C(Nc1ccc(nc1)N1CCC[C@@H](C1)C(=O)N[*:1])C1CC1
O=C(Nc1ccc(N2CCC[C@H](C(=O)NC3CCCC3)C2)nc1)C1CC1 C1CC1[*:1] O=C(NC1CCCC1)[C@H]1CCCN(C1)c1ccc(cn1)NC(=O)[*:1]
O=C(Nc1ccc(N2CCC[C@H](C(=O)NC3CCCC3)C2)nc1)C1CC1 O=C(NC1CCCC1)[*:1] O=C(Nc1ccc(nc1)N1CCC[C@H](C1)[*:1])C1CC1
O=C(Nc1ccc(N2CCC[C@H](C(=O)NC3CCCC3)C2)nc1)C1CC1 O=C(N[*:1])C1CC1 O=C(NC1CCCC1)[C@H]1CCCN(C1)c1ccc(cn1)[*:1]
O=C([O-])c1ccc(/C=C/c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])cc1 O=[N+]([O-])[*:1] O=C([O-])c1ccc(/C=C/c2ccnc(-c3cccc(c3)[*:1])[n+]2[O-])cc1
O=C([O-])c1ccc(/C=C/c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])cc1 O=C([O-])c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)-c1nccc(C=C[*:1])[n+]1[O-]
O=C([O-])c1ccc(/C=C/c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])cc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C([O-])c1ccc(/C=C/c2ccnc([n+]2[O-])[*:1])cc1
O=C([O-])c1ccc(/C=C/c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])cc1 O=C([O-])[*:1] O=[N+]([O-])c1cccc(c1)-c1nccc(/C=C/c2ccc(cc2)[*:1])[n+]1[O-]
CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1C Cc1ccccc1[*:1] CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1C Clc1ccc(cc1)[*:1] CC[C@@H](NS(=O)(=O)[*:1])C(=O)Nc1ccccc1C
COC(=O)c1cc(C(=O)Nc2ccccc2OCC(C)C)ccn1 CC(C)CO[*:1] COC(=O)c1cc(ccn1)C(=O)Nc1ccccc1[*:1]
COC(=O)c1cc(C(=O)Nc2ccccc2OCC(C)C)ccn1 CC(C)C[*:1] COC(=O)c1cc(ccn1)C(=O)Nc1ccccc1O[*:1]
COC(=O)c1cc(C(=O)Nc2ccccc2OCC(C)C)ccn1 CC(C)[*:1] COC(=O)c1cc(ccn1)C(=O)Nc1ccccc1OC[*:1]
COC(=O)c1cc(C(=O)Nc2ccccc2OCC(C)C)ccn1 COC(=O)[*:1] CC(C)COc1ccccc1NC(=O)c1ccnc(c1)[*:1]
CC(=O)Nc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 CC(=O)N[*:1] c1ccc(cc1)-c1nc(Nc2ccc(cc2)[*:1])c2ccccc2n1
CC(=O)Nc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)Nc1nc(nc2ccccc12)[*:1]
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1cn(cn1)[*:1]
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)cc1 COc1ccc(cc1)[*:1] CC(C)n1cnc(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
O=C(CCCNC(=O)N1CC[C@@H](C(=O)[O-])C1)NC1CC1 O=C([O-])[*:1] O=C(CCCNC(=O)N1CC[C@@H](C1)[*:1])NC1CC1
O=C(CCCNC(=O)N1CC[C@@H](C(=O)[O-])C1)NC1CC1 O=C(NC1CC1)[*:1] O=C([O-])[C@@H]1CCN(C1)C(=O)NCCC[*:1]
O=C(CCCNC(=O)N1CC[C@@H](C(=O)[O-])C1)NC1CC1 C1CC1[*:1] O=C(CCCNC(=O)N1CC[C@H](C1)C(=O)[O-])N[*:1]
Cc1cnc(=O)n(Cc2ccc([N+](=O)[O-])c(N)c2)c1 O=[N+]([O-])[*:1] Cc1cnc(=O)n(c1)Cc1ccc(c(N)c1)[*:1]
CC(C)[C@@H](C)NC(=O)NNC(=O)c1cc(Br)cn1C CC(C)[C@@H](C)[*:1] Cn1cc(Br)cc1C(=O)NNC(=O)N[*:1]
CC(C)[C@@H](C)NC(=O)NNC(=O)c1cc(Br)cn1C CC(C)[*:1] C[C@@H](NC(=O)NNC(=O)c1cc(Br)cn1C)[*:1]
COC(=O)CC1(NC(=O)c2cnn(C(C)C)c2C)CC[NH+](C)CC1 COC(=O)C[*:1] Cc1c(cnn1C(C)C)C(=O)NC1(CC[NH+](C)CC1)[*:1]
COC(=O)CC1(NC(=O)c2cnn(C(C)C)c2C)CC[NH+](C)CC1 COC(=O)[*:1] Cc1c(cnn1C(C)C)C(=O)NC1(CC[NH+](C)CC1)C[*:1]
COC(=O)CC1(NC(=O)c2cnn(C(C)C)c2C)CC[NH+](C)CC1 CC(C)[*:1] COC(=O)CC1(CC[NH+](C)CC1)NC(=O)c1cnn(c1C)[*:1]
COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccncc2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccncc1)SC[*:1]
COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-n1c(nnc1[*:1])SCc1ccccc1C
COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccncc2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1CSc1nnc(-c2ccncc2)n1[*:1]
COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccncc2)cc1 Cc1ccccc1CS[*:1] COc1ccc(cc1)-n1c(nnc1[*:1])-c1ccncc1
COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccncc2)cc1 Cc1ccccc1C[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccncc1)S[*:1]
Cc1cc(C(=O)NCC[C@@H](O)c2ccccc2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NCC[C@@H](O)[*:1])c(C)o1
COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)CCc2cn3ccccc3n2)C1 c1ccn2cc(nc2c1)[*:1] COc1ccccc1C(=O)[C@@H]1CCCN(C1)C(=O)CC[*:1]
COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)CCc2cn3ccccc3n2)C1 COc1ccccc1[*:1] O=C(CCc1cn2ccccc2n1)N1CCC[C@H](C1)C(=O)[*:1]
CCNC(=O)C[C@H]1CSc2nc(C)c(CC)c(=O)n21 CCNC(=O)[*:1] CCc1c(C)nc2SC[C@H](C[*:1])n2c1=O
CCNC(=O)C[C@H]1CSc2nc(C)c(CC)c(=O)n21 CCNC(=O)C[*:1] CCc1c(C)nc2SC[C@@H](n2c1=O)[*:1]
COc1ccc(-c2cc3nn(CC(=O)NC(C)(C)C)c(=O)n3c(C)n2)cc1 CC(C)(C)NC(=O)C[*:1] COc1ccc(cc1)-c1cc2nn(c(=O)n2c(C)n1)[*:1]
COc1ccc(-c2cc3nn(CC(=O)NC(C)(C)C)c(=O)n3c(C)n2)cc1 COc1ccc(cc1)[*:1] Cc1nc(cc2nn(CC(=O)NC(C)(C)C)c(=O)n12)[*:1]
COc1ccc(-c2cc3nn(CC(=O)NC(C)(C)C)c(=O)n3c(C)n2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)-c1cc2nn(CC(=O)N[*:1])c(=O)n2c(C)n1
COc1ccc(-c2cc3nn(CC(=O)NC(C)(C)C)c(=O)n3c(C)n2)cc1 CC(C)(C)NC(=O)[*:1] COc1ccc(cc1)-c1cc2nn(C[*:1])c(=O)n2c(C)n1
CC1CCN(C(=O)CNc2ccccc2OC[C@@H]2CCCCO2)CC1 C1CC[C@@H](CO[*:1])OC1 CC1CCN(CC1)C(=O)CNc1ccccc1[*:1]
CC(=O)N(C)c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
CC(=O)N(C)c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)c1ccc(Cl)c(c1)[*:1]
Cc1noc(CCCNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 Cc1noc(C[*:1])n1 O=C(NCC[*:1])N[C@@H]1CCC[C@H](C1)C(F)(F)F
Cc1noc(CCCNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 FC(F)(F)[*:1] Cc1noc(CCCNC(=O)N[C@@H]2CCC[C@@H](C2)[*:1])n1
Cc1noc(CCCNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 Cc1noc(n1)[*:1] O=C(NCCC[*:1])N[C@@H]1CCC[C@H](C1)C(F)(F)F
CC(C)C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-] CC(C)C[*:1] C[C@H]1OCC[C@@H]1C(=O)NC[C@H](C(=O)[O-])[*:1]
CC(C)C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-] CC(C)[*:1] C[C@H]1OCC[C@@H]1C(=O)NC[C@@H](C[*:1])C(=O)[O-]
CC(C)C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C)[*:1]
CC(C)C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-] C[C@H]1OCC[C@@H]1[*:1] CC(C)C[C@H](CNC(=O)[*:1])C(=O)[O-]
O=C(CNC(=O)Nc1ccc(-n2cccn2)nc1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(CNC(=O)Nc1ccc(nc1)-n1cccn1)N[*:1]
O=C(CNC(=O)Nc1ccc(-n2cccn2)nc1)Nc1cccnc1 c1cnn(c1)[*:1] O=C(CNC(=O)Nc1ccc(nc1)[*:1])Nc1cccnc1
Cc1cnc([C@H](C)NC(=O)N[C@@H](C)COc2ccccc2F)s1 Cc1cnc(s1)[*:1] C[C@@H](COc1ccccc1F)NC(=O)N[C@@H](C)[*:1]
Cc1cnc([C@H](C)NC(=O)N[C@@H](C)COc2ccccc2F)s1 Fc1ccccc1[*:1] Cc1cnc(s1)[C@H](C)NC(=O)N[C@@H](C)CO[*:1]
CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2cccnc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCC(CC1)[NH2+][C@@H](C)c1cccnc1)[*:1]
CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2cccnc2)CC1)c1ccccc1 c1cncc(c1)[*:1] CC[C@@H](C(=O)N1CCC(CC1)[NH2+][C@@H](C)[*:1])c1ccccc1
Cc1cccc(CC[NH2+][C@@H](C)c2ccoc2)c1 c1cc(co1)[*:1] Cc1cccc(c1)CC[NH2+][C@@H](C)[*:1]
Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)[*:1]
CN(C)c1ccc(/C=N/NS(=O)(=O)c2ccc(F)cc2)cc1 CN(C)[*:1] O=S(=O)(N/N=C/c1ccc(cc1)[*:1])c1ccc(F)cc1
CN(C)c1ccc(/C=N/NS(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CN(C)c1ccc(/C=N/NS(=O)(=O)[*:1])cc1
COc1cc(C)ccc1NC(=O)C(=O)N1CCO[C@H](c2ccccc2C)C1 COc1cc(C)ccc1[*:1] Cc1ccccc1[C@@H]1CN(CCO1)C(=O)C(=O)N[*:1]
COc1cc(C)ccc1NC(=O)C(=O)N1CCO[C@H](c2ccccc2C)C1 Cc1ccccc1[*:1] COc1cc(C)ccc1NC(=O)C(=O)N1CCO[C@H](C1)[*:1]
O=C(NCc1ccccc1Cl)Nc1cnn(C[C@@H]2CCCO2)c1 Clc1ccccc1[*:1] O=C(NC[*:1])Nc1cnn(c1)C[C@@H]1CCCO1
O=C(NCc1ccccc1Cl)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] O=C(NCc1ccccc1Cl)Nc1cnn(c1)[*:1]
O=C(NCCCOc1ccc(Cl)cc1Cl)NC[C@@H]1CCS(=O)(=O)C1 Clc1ccc(c(Cl)c1)[*:1] O=C(NCCCO[*:1])NC[C@@H]1CCS(=O)(=O)C1
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)CCCC2CCCC2)C1 C1CCC(C1)C[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)CC[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)CCCC2CCCC2)C1 C1CCC(C1)CC[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)C[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)CCCC2CCCC2)C1 C1CCC(C1)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)CCC[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)CCCC2CCCC2)C1 CS(=O)(=O)[*:1] O=C(CCCC1CCCC1)N[C@H]1CCC[C@@H](C1)[*:1]
COCC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)C(C)C COCC[*:1] CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](C)[*:1]
COCC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)C(C)C COCC[C@H](C)[*:1] CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[*:1]
COCC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)C(C)C COC[*:1] CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](C)C[*:1]
COCC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] COCC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[*:1]
COCC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)C(C)C CC(C)[*:1] COCC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)[*:1]
COC(=O)c1ccc(C(=O)N2CCC(Oc3nc4c(C)cccc4s3)CC2)cc1 COC(=O)[*:1] Cc1cccc2sc(nc12)OC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1cc(NC(=O)C2SCCOC=2C)c(Cl)cc1C(=O)NC[*:1]
COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] COc1cc(NC(=O)C2SCCOC=2C)c(Cl)cc1C(=O)N[*:1]
COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NC[C@@H]1CCCO1 O=C(NC[C@@H]1CCCO1)[*:1] COc1cc(NC(=O)C2SCCOC=2C)c(Cl)cc1[*:1]
O=C(NCc1ccco1)c1ccc(Cn2cc(Cl)cn2)cc1 Clc1cnn(c1)[*:1] O=C(NCc1ccco1)c1ccc(cc1)C[*:1]
O=C(NCc1ccco1)c1ccc(Cn2cc(Cl)cn2)cc1 c1coc(c1)[*:1] O=C(NC[*:1])c1ccc(cc1)Cn1cc(Cl)cn1
O=C(NCc1ccco1)c1ccc(Cn2cc(Cl)cn2)cc1 Clc1cnn(c1)C[*:1] O=C(NCc1ccco1)c1ccc(cc1)[*:1]
O=C(NCc1ccco1)c1ccc(Cn2cc(Cl)cn2)cc1 c1coc(c1)C[*:1] O=C(N[*:1])c1ccc(cc1)Cn1cc(Cl)cn1
CC(=O)c1c(C)nsc1N[C@H](C)c1ccc(C)cc1 CC(=O)[*:1] Cc1ccc(cc1)[C@@H](C)Nc1snc(C)c1[*:1]
C[C@@H](NC(=O)c1ccc(C=O)cc1)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)c1ccc(C=O)cc1)c1ccc(cc1)OC[*:1]
C[C@@H](NC(=O)c1ccc(C=O)cc1)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] C[C@@H](NC(=O)c1ccc(C=O)cc1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1ccc(C=O)cc1)c1ccc(OCC(F)(F)F)cc1 O=Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)OCC(F)(F)F
C[C@@H](NC(=O)c1ccc(C=O)cc1)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] C[C@@H](NC(=O)c1ccc(C=O)cc1)c1ccc(cc1)O[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cccc(OCC(F)(F)F)n2)C1 FC(F)(F)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cccc(n1)OC[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cccc(OCC(F)(F)F)n2)C1 FC(F)(F)C[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cccc(n1)O[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cccc(OCC(F)(F)F)n2)C1 FC(F)(F)CO[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cccc(n1)[*:1]
CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2cc(C)oc2C)C1=O CCN(CC)C(=O)[*:1] Cc1cc(c(C)o1)[C@@]1(C)NC(=O)N(C[*:1])C1=O
CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2cc(C)oc2C)C1=O Cc1cc(c(C)o1)[*:1] CCN(CC)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
N#C[C@]1(NC2CC2)CCC[C@H](Sc2cc(Cl)ccc2Cl)C1 C1CC1[*:1] N#C[C@@]1(CCC[C@@H](C1)Sc1cc(Cl)ccc1Cl)N[*:1]
N#C[C@]1(NC2CC2)CCC[C@H](Sc2cc(Cl)ccc2Cl)C1 C1CC1N[*:1] N#C[C@@]1(CCC[C@@H](C1)Sc1cc(Cl)ccc1Cl)[*:1]
CCc1noc(CC)c1CNC(=O)C1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCc1noc(CC)c1CNC(=O)C1CCC(CC1)[*:1]
CCOc1ccc(/C=C(/C#N)c2nc3ncc(Br)cc3[n-]2)cc1OCC CCO[*:1] CCOc1cc(/C=C(/C#N)c2nc3ncc(Br)cc3[n-]2)ccc1[*:1]
CCOc1ccc(/C=C(/C#N)c2nc3ncc(Br)cc3[n-]2)cc1OCC CCO[*:1] CCOc1ccc(/C=C(/C#N)c2nc3ncc(Br)cc3[n-]2)cc1[*:1]
Cc1nc([C@H]2CCCN2C(=O)Cn2cccn2)nc2c1CCC(=O)N2Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(nc2c1CCC(=O)N2[*:1])[C@H]1CCCN1C(=O)Cn1cccn1
Cc1nc([C@H]2CCCN2C(=O)Cn2cccn2)nc2c1CCC(=O)N2Cc1ccccc1 c1cnn(c1)[*:1] Cc1nc(nc2c1CCC(=O)N2Cc1ccccc1)[C@H]1CCCN1C(=O)C[*:1]
Cc1nc([C@H]2CCCN2C(=O)Cn2cccn2)nc2c1CCC(=O)N2Cc1ccccc1 c1cnn(c1)C[*:1] Cc1nc(nc2c1CCC(=O)N2Cc1ccccc1)[C@H]1CCCN1C(=O)[*:1]
Cc1nc([C@H]2CCCN2C(=O)Cn2cccn2)nc2c1CCC(=O)N2Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(nc2c1CCC(=O)N2C[*:1])[C@H]1CCCN1C(=O)Cn1cccn1
CCOc1ccc(OC)cc1NC(=O)N1C[C@H](C)CC[C@@H]1C CCO[*:1] COc1ccc(c(c1)NC(=O)N1C[C@H](C)CC[C@@H]1C)[*:1]
COc1ccc(OC)c(CN(Cc2nc(C)cs2)C2CC2)c1 C1CC1[*:1] COc1ccc(OC)c(c1)CN(Cc1nc(C)cs1)[*:1]
COc1ccc(OC)c(CN(Cc2nc(C)cs2)C2CC2)c1 Cc1csc(n1)[*:1] COc1ccc(OC)c(c1)CN(C[*:1])C1CC1
COc1ccc(OC)c(CN(Cc2nc(C)cs2)C2CC2)c1 Cc1csc(C[*:1])n1 COc1ccc(OC)c(c1)CN(C1CC1)[*:1]
CCCc1n[nH]c(SCc2cc(=O)oc3cc(Br)ccc23)n1 CCC[*:1] O=c1cc(CSc2nc(n[nH]2)[*:1])c2ccc(Br)cc2o1
C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C(=O)[O-])CCOC1 O=C([O-])[*:1] C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(CCOC1)[*:1]
COc1cccc2cc(C(=O)Nc3cccc(C)c3)oc12 Cc1cccc(c1)[*:1] COc1cccc2cc(oc12)C(=O)N[*:1]
O=C(NCc1cn2ccsc2n1)Nc1cnc(-c2ccccc2)s1 c1cn2cc(nc2s1)[*:1] O=C(NC[*:1])Nc1cnc(s1)-c1ccccc1
O=C(NCc1cn2ccsc2n1)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(NCc1cn2ccsc2n1)Nc1cnc(s1)[*:1]
COCC[NH2+]Cc1cc(F)c(O[C@@H]2CCC[C@@H]2O)c(F)c1 O[C@H]1CCC[C@H]1O[*:1] COCC[NH2+]Cc1cc(F)c(c(F)c1)[*:1]
COCC[NH2+]Cc1cc(F)c(O[C@@H]2CCC[C@@H]2O)c(F)c1 COC[*:1] O[C@H]1CCC[C@H]1Oc1c(F)cc(cc1F)C[NH2+]C[*:1]
COCC[NH2+]Cc1cc(F)c(O[C@@H]2CCC[C@@H]2O)c(F)c1 COCC[*:1] O[C@H]1CCC[C@H]1Oc1c(F)cc(cc1F)C[NH2+][*:1]
COCC[NH2+]Cc1cc(F)c(O[C@@H]2CCC[C@@H]2O)c(F)c1 O[C@H]1CCC[C@H]1[*:1] COCC[NH2+]Cc1cc(F)c(O[*:1])c(F)c1
CCc1nn(C)c2c1[nH]c(=S)n2CCCOC COCC[*:1] CCc1nn(C)c2c1[nH]c(=S)n2C[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2CCCOC COC[*:1] CCc1nn(C)c2c1[nH]c(=S)n2CC[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2CCCOC COCCC[*:1] CCc1nn(C)c2c1[nH]c(=S)n2[*:1]
N#CCCN(CCC(F)(F)F)C(=O)c1ccc(-n2cccc2)cc1 N#CC[*:1] O=C(c1ccc(cc1)-n1cccc1)N(CCC(F)(F)F)C[*:1]
N#CCCN(CCC(F)(F)F)C(=O)c1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] N#CCCN(CCC(F)(F)F)C(=O)c1ccc(cc1)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)c1ccc(-n2cccc2)cc1 FC(F)(F)[*:1] N#CCCN(CC[*:1])C(=O)c1ccc(cc1)-n1cccc1
N#CCCN(CCC(F)(F)F)C(=O)c1ccc(-n2cccc2)cc1 FC(F)(F)C[*:1] N#CCCN(C[*:1])C(=O)c1ccc(cc1)-n1cccc1
N#CCCN(CCC(F)(F)F)C(=O)c1ccc(-n2cccc2)cc1 FC(F)(F)CC[*:1] N#CCCN(C(=O)c1ccc(cc1)-n1cccc1)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)c1ccc(-n2cccc2)cc1 N#CCC[*:1] O=C(c1ccc(cc1)-n1cccc1)N(CCC(F)(F)F)[*:1]
CCS(=O)(=O)Nc1ccc(C(=O)N(C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCS(=O)(=O)Nc1ccc(cc1)C(=O)N(C)[*:1]
CCS(=O)(=O)Nc1ccc(C(=O)N(C)c2ccccc2)cc1 CCS(=O)(=O)N[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1ccccc1
COc1cc(F)c([C@@H](C)NC(=O)Nc2cnccc2C)cc1OC Cc1ccncc1[*:1] COc1cc(F)c(cc1OC)[C@@H](C)NC(=O)N[*:1]
CCC[NH2+][C@@H](CC[C@H]1CCCO1)[C@@H]1C[NH+]2CCN1CC2 CCC[*:1] C1CO[C@H](C1)CC[C@H]([NH2+][*:1])[C@@H]1C[NH+]2CCN1CC2
CCC[NH2+][C@@H](CC[C@H]1CCCO1)[C@@H]1C[NH+]2CCN1CC2 C1CO[C@H](C1)[*:1] CCC[NH2+][C@@H](CC[*:1])[C@@H]1C[NH+]2CCN1CC2
CCC[NH2+][C@@H](CC[C@H]1CCCO1)[C@@H]1C[NH+]2CCN1CC2 C1CO[C@H](C1)C[*:1] CCC[NH2+][C@@H](C[*:1])[C@@H]1C[NH+]2CCN1CC2
O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCCN1C(=O)c1cccs1 c1csc(c1)[*:1] O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCCN1C(=O)[*:1]
O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCCN1C(=O)c1cccs1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NCCC[*:1])[C@@H]1CCCCN1C(=O)c1cccs1
CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nc(C(C)C)nn2C)C1(C)C CCO[*:1] CC(C)c1nc(NC(=O)N(C)[C@@H]2C[C@H](C2(C)C)[*:1])n(C)n1
CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nc(C(C)C)nn2C)C1(C)C CC(C)[*:1] CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2nc(nn2C)[*:1])C1(C)C
Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc(-n3cccc3)nc2)o1 c1ccn(c1)[*:1] Cc1ccc(o1)[C@@H]1CSCCN1C(=O)c1ccc(nc1)[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc(-n3cccc3)nc2)o1 Cc1ccc(o1)[*:1] O=C(c1ccc(nc1)-n1cccc1)N1CCSC[C@H]1[*:1]
CC[C@H](C)C(=O)NCC(=O)NC1(c2ccc(OC)cc2)CCCC1 CC[C@H](C)C(=O)NC[*:1] COc1ccc(cc1)C1(CCCC1)NC(=O)[*:1]
CC[C@H](C)C(=O)NCC(=O)NC1(c2ccc(OC)cc2)CCCC1 CC[C@H](C)[*:1] COc1ccc(cc1)C1(CCCC1)NC(=O)CNC(=O)[*:1]
CC[C@H](C)C(=O)NCC(=O)NC1(c2ccc(OC)cc2)CCCC1 CC[C@H](C)C(=O)N[*:1] COc1ccc(cc1)C1(CCCC1)NC(=O)C[*:1]
CC[C@H](C)C(=O)NCC(=O)NC1(c2ccc(OC)cc2)CCCC1 COc1ccc(cc1)[*:1] CC[C@H](C)C(=O)NCC(=O)NC1(CCCC1)[*:1]
C/[NH+]=C(/NCc1coc(-c2ccc(C)cc2)n1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C Cc1ccc(cc1)[*:1] C/[NH+]=C(/NCc1coc(n1)[*:1])N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1CC(F)(F)F Nc1nnc(S[*:1])s1 Cc1cc(C(=O)C[*:1])c(C)n1CC(F)(F)F
Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1CC(F)(F)F FC(F)(F)[*:1] Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1C[*:1]
Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1CC(F)(F)F FC(F)(F)C[*:1] Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1[*:1]
Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1CC(F)(F)F Nc1nnc(s1)[*:1] Cc1cc(C(=O)CS[*:1])c(C)n1CC(F)(F)F
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O c1cc2CCCc2cc1[*:1] C[C@@]1(NC(=O)N(CN2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)C1=O)[*:1]
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O Fc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CN2CCN(CC2)S(=O)(=O)[*:1])C1=O)c1ccc2CCCc2c1
O=C([O-])[C@H]1CSCN1C(=O)CSc1cccs1 c1csc(c1)[*:1] O=C([O-])[C@H]1CSCN1C(=O)CS[*:1]
O=C([O-])[C@H]1CSCN1C(=O)CSc1cccs1 O=C([O-])[*:1] O=C(CSc1cccs1)N1CSC[C@@H]1[*:1]
CCC(=O)N1CCc2ccc(NC(=O)c3cc(C)ccc3C)cc2C1 Cc1ccc(C)c(c1)[*:1] CCC(=O)N1CCc2ccc(cc2C1)NC(=O)[*:1]
C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)[*:1]
C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc(F)c(Cl)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)[*:1])c1ccc(F)c(Cl)c1
CCCC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 CCC[*:1] O=C(N1CCN(CC1)c1ncnc2c1nnn2-c1cccc(F)c1)[*:1]
CCCC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CCCC(=O)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
CCOC(=O)C1=C(C)N=C(CN(C(=O)c2cccc(F)c2)C2CCCCC2)[C@@H]1C Fc1cccc(c1)[*:1] CCOC(=O)C1=C(C)N=C(CN(C(=O)[*:1])C2CCCCC2)[C@@H]1C
CCOC(=O)C1=C(C)N=C(CN(C(=O)c2cccc(F)c2)C2CCCCC2)[C@@H]1C C1CCC(CC1)[*:1] CCOC(=O)C1=C(C)N=C(CN(C(=O)c2cccc(F)c2)[*:1])[C@@H]1C
CCOC(=O)C1=C(C)N=C(CN(C(=O)c2cccc(F)c2)C2CCCCC2)[C@@H]1C CCOC(=O)[*:1] CC1N=C(CN(C(=O)c2cccc(F)c2)C2CCCCC2)[C@H](C)C=1[*:1]
N#Cc1csc(C[NH2+][C@H]2CCC[C@@H](OCC(F)(F)F)C2)c1 FC(F)(F)C[*:1] N#Cc1csc(c1)C[NH2+][C@H]1CCC[C@H](C1)O[*:1]
N#Cc1csc(C[NH2+][C@H]2CCC[C@@H](OCC(F)(F)F)C2)c1 N#Cc1csc(c1)[*:1] FC(F)(F)CO[C@@H]1CCC[C@@H](C1)[NH2+]C[*:1]
N#Cc1csc(C[NH2+][C@H]2CCC[C@@H](OCC(F)(F)F)C2)c1 FC(F)(F)CO[*:1] N#Cc1csc(c1)C[NH2+][C@H]1CCC[C@@H](C1)[*:1]
N#Cc1csc(C[NH2+][C@H]2CCC[C@@H](OCC(F)(F)F)C2)c1 FC(F)(F)[*:1] N#Cc1csc(c1)C[NH2+][C@H]1CCC[C@H](C1)OC[*:1]
Cc1cc(NC(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)no1 O=[N+]([O-])[*:1] Cc1cc(no1)NC(=O)Cn1cnc(n1)-c1cccc(c1)[*:1]
Cc1cc(NC(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)no1 Cc1cc(no1)[*:1] O=C(Cn1cnc(n1)-c1cccc(c1)[N+](=O)[O-])N[*:1]
Cc1ccc(F)c(NC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 Cc1ccc(F)c(c1)[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
C[C@@H]1CN(CC2CCCC2)C(C)(C)CO1 C1CCC(C1)[*:1] C[C@@H]1CN(C[*:1])C(C)(C)CO1
CC(C)(NC(=O)[C@H]1C[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(NC(=O)[C@H]1C[C@H]1c1ccco1)c1ccc(cc1)[*:1]
CC(C)(NC(=O)[C@H]1C[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 c1coc(c1)[*:1] CC(C)(NC(=O)[C@H]1C[C@@H]1[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1nccn1-c1ccc(CN[C@H](C)c2nccs2)cc1F c1csc(n1)[*:1] Cc1nccn1-c1ccc(cc1F)CN[C@H](C)[*:1]
Cc1nccn1-c1ccc(CN[C@H](C)c2nccs2)cc1F Cc1nccn1[*:1] C[C@@H](NCc1ccc(c(F)c1)[*:1])c1nccs1
Cc1nccn1-c1ccc(CN[C@H](C)c2nccs2)cc1F C[C@H](c1nccs1)[*:1] Cc1nccn1-c1ccc(cc1F)CN[*:1]
COc1ccc(CNC(=O)c2ccc(NC(=O)c3nnc(C)s3)cc2)cc1OC Cc1nnc(s1)C(=O)N[*:1] COc1ccc(cc1OC)CNC(=O)c1ccc(cc1)[*:1]
COc1ccc(CNC(=O)c2ccc(NC(=O)c3nnc(C)s3)cc2)cc1OC Cc1nnc(s1)[*:1] COc1ccc(cc1OC)CNC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(C(=O)[O-])c(N2CCC(C(N)=O)CC2)c1 NC(=O)[*:1] Cc1ccc(C(=O)[O-])c(c1)N1CCC(CC1)[*:1]
Cc1ccc(C(=O)[O-])c(N2CCC(C(N)=O)CC2)c1 O=C([O-])[*:1] Cc1ccc(c(c1)N1CCC(CC1)C(N)=O)[*:1]
CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C[NH3+])CC(C)C)CC1 CC(C)[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)[C@@H](C[NH3+])C[*:1]
CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C[NH3+])CC(C)C)CC1 CC(C)C[*:1] CCS(=O)(=O)N1CCC(CC1)NC(=O)[C@@H](C[NH3+])[*:1]
CCc1cc(N2CCOCC2)nc(C2=CCN(Cc3ccccc3F)CC2)[nH+]1 Fc1ccccc1C[*:1] CCc1cc(nc([nH+]1)C1=CCN(CC1)[*:1])N1CCOCC1
CCc1cc(N2CCOCC2)nc(C2=CCN(Cc3ccccc3F)CC2)[nH+]1 Fc1ccccc1[*:1] CCc1cc(nc([nH+]1)C1=CCN(CC1)C[*:1])N1CCOCC1
CCc1cc(N2CCOCC2)nc(C2=CCN(Cc3ccccc3F)CC2)[nH+]1 C1CN(CCO1)[*:1] CCc1cc(nc([nH+]1)C1=CCN(CC1)Cc1ccccc1F)[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 O=C(Nc1nccs1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CCCCCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O CCCCC[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)c1nn(c(=O)c2ccccc12)[*:1]
CCCCCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O c1coc(c1)[*:1] CCCCCn1nc(C(=O)N2CCN(CC2)C(=O)[*:1])c2ccccc2c1=O
CCCCCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O CCCC[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)c1nn(C[*:1])c(=O)c2ccccc12
CCCCCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O CCC[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)c1nn(CC[*:1])c(=O)c2ccccc12
O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCCC1 c1ccc(nc1)[*:1] O=C(Nc1ccc2nc(c(nc2c1)-c1ccccn1)[*:1])N1CCCC1
O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCCC1 O=C(N[*:1])N1CCCC1 c1ccc(nc1)-c1nc2ccc(cc2nc1-c1ccccn1)[*:1]
O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCCC1 c1ccc(nc1)[*:1] O=C(Nc1ccc2nc(-c3ccccn3)c(nc2c1)[*:1])N1CCCC1
O=C(CC1CC1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 Fc1ccc(cc1)[*:1] O=C(CC1CC1)N1CC[C@]2(CCCN(C[*:1])C2=O)C1
O=C(CC1CC1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 C1CC1C[*:1] O=C1N(CCC[C@]12CCN(C2)C(=O)[*:1])Cc1ccc(F)cc1
O=C(CC1CC1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 C1CC1[*:1] O=C(C[*:1])N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1
O=C(CC1CC1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 Fc1ccc(cc1)C[*:1] O=C(CC1CC1)N1CC[C@]2(CCCN(C2=O)[*:1])C1
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)OCC(=O)NNC(=O)[C@@H](C)O[*:1]
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C Fc1ccc(cc1)O[*:1] Cc1ccc(cc1C)OCC(=O)NNC(=O)[C@@H](C)[*:1]
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CO[*:1]
Cc1cc(C)cc(C[C@@H](C)NC(=O)N(C)CCN2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cc(C)cc(c1)C[C@@H](C)NC(=O)N(C)CC[*:1]
Cc1cc(C)cc(C[C@@H](C)NC(=O)N(C)CCN2CCOCC2)c1 C1CN(CCO1)C[*:1] Cc1cc(C)cc(c1)C[C@@H](C)NC(=O)N(C)C[*:1]
Cc1cc(C)cc(C[C@@H](C)NC(=O)N(C)CCN2CCOCC2)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](C[*:1])NC(=O)N(C)CCN1CCOCC1
Cc1cc(C)cc(C[C@@H](C)NC(=O)N(C)CCN2CCOCC2)c1 C1CN(CCO1)CC[*:1] Cc1cc(C)cc(c1)C[C@@H](C)NC(=O)N(C)[*:1]
COc1ccc(NC(=O)c2cccc(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N[*:1])c1cccc(c1)NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1
O=C(c1ccsc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 c1cc(cs1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1F)[*:1]
O=C(c1ccsc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] O=C(c1ccsc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NC[C@@H]1CCCO1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 O=C(NC[C@@H]1CCCO1)[*:1] Clc1ccc(cc1)-c1cnnn1-c1ccc(cc1)[*:1]
O=C(NC[C@@H]1CCCO1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)c1ccc(cc1)-n1nncc1[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(CO)CC1 CCC[*:1] O=C(N[C@H]1CCC[C@H]1C[*:1])N1CCC(CO)CC1
CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(CO)CC1 CCCC[*:1] O=C(N[C@H]1CCC[C@H]1[*:1])N1CCC(CO)CC1
CCc1ccc([C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c2ncc(C)cn2)cc1 CCc1ccc(cc1)[*:1] Cc1cnc(nc1)S(=O)(=O)[C@H](C)C(=O)N[C@H](C)[*:1]
CCc1ccc([C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)c2ncc(C)cn2)cc1 Cc1cnc(nc1)[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)[*:1]
CCSc1cncc(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 CCS[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)Nc1cncc(n1)[*:1]
C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)[*:1]
C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)c1ccc(Br)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)c1ccccc1[*:1])c1ccc(Br)cc1
CCOc1ccc(Oc2ccc(NC(=O)C(=O)N3CCCC3)cc2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)Oc1ccc(cc1)[*:1])C(=O)N1CCCC1
CC(C)(C)OC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl CC(C)(C)[*:1] O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)O[*:1]
CC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)[*:1]
CCCCCc1nnc(NC(=O)c2occc2Br)s1 Brc1ccoc1[*:1] CCCCCc1nnc(NC(=O)[*:1])s1
CCCCCc1nnc(NC(=O)c2occc2Br)s1 CCCC[*:1] O=C(Nc1nnc(C[*:1])s1)c1occc1Br
CCCCCc1nnc(NC(=O)c2occc2Br)s1 CCC[*:1] O=C(Nc1nnc(CC[*:1])s1)c1occc1Br
CCCCCc1nnc(NC(=O)c2occc2Br)s1 CCCCC[*:1] O=C(Nc1nnc(s1)[*:1])c1occc1Br
CC[C@@H](C)NC(=O)C[NH+]1CCN(c2cc(C)nc3nc(C(F)(F)F)nn23)CC1 CC[C@@H](C)[*:1] Cc1cc(N2CC[NH+](CC2)CC(=O)N[*:1])n2nc(nc2n1)C(F)(F)F
CC[C@@H](C)NC(=O)C[NH+]1CCN(c2cc(C)nc3nc(C(F)(F)F)nn23)CC1 FC(F)(F)[*:1] CC[C@@H](C)NC(=O)C[NH+]1CCN(CC1)c1cc(C)nc2nc(nn12)[*:1]
CCOC(=O)c1nnsc1NC(=O)c1ccc(C)cc1 CCOC(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1snnc1[*:1]
C#Cc1cccc(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1 Clc1cccc(c1)[*:1] C#Cc1cccc(c1)C(=O)N1CCC[C@@H](C1)N1CCN(CC1)[*:1]
C#Cc1cccc(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1 C#Cc1cccc(c1)[*:1] O=C(N1CCC[C@@H](C1)N1CCN(CC1)c1cccc(Cl)c1)[*:1]
CCCNC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 CCC[*:1] O=C(N[*:1])N1CCC2(CC1)Nc1ccccc1-n1cccc12
O=C(c1ccccc1OC(F)F)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 FC(F)O[*:1] O=C(c1ccccc1[*:1])N1CCOC[C@](O)(C1)C[NH+]1CCCC1
O=C(c1ccccc1OC(F)F)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 FC(F)[*:1] O=C(c1ccccc1O[*:1])N1CCOC[C@](O)(C1)C[NH+]1CCCC1
C[C@@H]([NH2+]C(C)(C)CNC(=O)Cc1cccc(F)c1F)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]C(C)(C)CNC(=O)Cc1cccc(F)c1F)[*:1]
C[C@@H]([NH2+]C(C)(C)CNC(=O)Cc1cccc(F)c1F)c1ccccc1 Fc1cccc(c1F)[*:1] C[C@@H]([NH2+]C(C)(C)CNC(=O)C[*:1])c1ccccc1
Cc1cc(C(=O)N2CCC(Nc3cccnn3)CC2)c(C)n1C(C)C c1cnnc(c1)N[*:1] Cc1cc(C(=O)N2CCC(CC2)[*:1])c(C)n1C(C)C
Cc1cc(C(=O)N2CCC(Nc3cccnn3)CC2)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)N2CCC(CC2)Nc2cccnn2)c(C)n1[*:1]
Cc1cc(C(=O)N2CCC(Nc3cccnn3)CC2)c(C)n1C(C)C c1cnnc(c1)[*:1] Cc1cc(C(=O)N2CCC(CC2)N[*:1])c(C)n1C(C)C
Cc1cc(C)cc(N2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2=O)c1 Cc1cc(C)cc(c1)[*:1] CN1C[C@H](NC1=O)C(=O)N1CCN(C(=O)C1)[*:1]
Cc1ccc(OC[C@H](CS)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OC[C@H](CS)[*:1]
Cc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)NC1(C#N)CCCCCC1 N#CC1(CCCCCC1)[*:1] Cc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)N[*:1]
Cc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)NC1(C#N)CCCCCC1 Cc1cccc(C)c1[*:1] C[NH+](CC(=O)NC1(C#N)CCCCCC1)CC(=O)N[*:1]
Cc1c(CCO)c(=O)[nH]n1C(=O)c1ccc(F)cc1 OCC[*:1] Cc1c(c(=O)[nH]n1C(=O)c1ccc(F)cc1)[*:1]
CNC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)cc1Cl c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)N1C[C@H](C)O[C@H](C1)[*:1]
CNC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)cc1Cl CNC(=O)[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ncccn1 c1cnc(nc1)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ncccn1 O=[N+]([O-])[*:1] O=S(=O)([N-]c1ncccn1)c1ccccc1[*:1]
CO[C@]1(C)C[C@H](NC(=O)[C@H](C)Sc2nncn2C)C1(C)C Cn1cnnc1S[*:1] CO[C@]1(C)C[C@H](NC(=O)[C@H](C)[*:1])C1(C)C
CO[C@]1(C)C[C@H](NC(=O)[C@H](C)Sc2nncn2C)C1(C)C Cn1cnnc1[*:1] CO[C@]1(C)C[C@H](NC(=O)[C@H](C)S[*:1])C1(C)C
Cc1cc(Br)ccc1NC(=O)CNc1cccc(C(=O)N2CCSCC2)c1C O=C(N1CCSCC1)[*:1] Cc1cc(Br)ccc1NC(=O)CNc1cccc(c1C)[*:1]
Cc1cc(Br)ccc1NC(=O)CNc1cccc(C(=O)N2CCSCC2)c1C Cc1cc(Br)ccc1[*:1] Cc1c(cccc1C(=O)N1CCSCC1)NCC(=O)N[*:1]
CC1CCN(C2=NC(=O)[C@H](CC(=O)Nc3ccccc3Cl)S2)CC1 Clc1ccccc1[*:1] CC1CCN(CC1)C1=NC(=O)[C@H](CC(=O)N[*:1])S1
CCNC(=O)CN(CC)S(=O)(=O)c1cc2ccccc2o1 CCNC(=O)[*:1] CCN(C[*:1])S(=O)(=O)c1cc2ccccc2o1
CCNC(=O)CN(CC)S(=O)(=O)c1cc2ccccc2o1 CCNC(=O)C[*:1] CCN(S(=O)(=O)c1cc2ccccc2o1)[*:1]
COC(=O)c1ccc(C[NH2+]Cc2cccc(F)c2)[nH]1 COC(=O)[*:1] Fc1cccc(c1)C[NH2+]Cc1ccc([nH]1)[*:1]
Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)NCc1ncoc1C Cc1ccccc1[*:1] Cc1ocnc1CNC(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)NCc1ncoc1C Cc1ocnc1[*:1] Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)NC[*:1]
Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)NCc1ncoc1C Cc1ccccc1O[*:1] Cc1ocnc1CNC(=O)N[C@@H]1CCCC[C@@H]1[*:1]
Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)NCc1ncoc1C Cc1ocnc1C[*:1] Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)N[*:1]
CONC(=O)c1cc(Cl)nc2ccccc12 CONC(=O)[*:1] Clc1cc(c2ccccc2n1)[*:1]
Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H](CN4CCOCC4)C3)c2c1 C1CN(CCO1)[*:1] Cc1cc(C)c2ncc(C#N)c(c2c1)N1CC[C@H](C1)C[*:1]
Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H](CN4CCOCC4)C3)c2c1 C1CN(CCO1)C[*:1] Cc1cc(C)c2ncc(C#N)c(c2c1)N1CC[C@@H](C1)[*:1]
O=C([O-])c1ccc2c(c1)=[NH+][C@H](C(F)(F)F)[NH+]=2 FC(F)(F)[*:1] O=C([O-])c1ccc2=[NH+][C@@H]([NH+]=c2c1)[*:1]
O=C([O-])c1ccc2c(c1)=[NH+][C@H](C(F)(F)F)[NH+]=2 O=C([O-])[*:1] FC(F)(F)[C@@H]1[NH+]=c2ccc(cc2=[NH+]1)[*:1]
CCCc1nn(C)c2c1NCC1(CCC(C)CC1)N2 CCC[*:1] CC1CCC2(CC1)CNc1c(nn(C)c1N2)[*:1]
NC(=O)[C@@H]1COCCN1C(=O)C=C1CCSCC1 NC(=O)[*:1] O=C(C=C1CCSCC1)N1CCOC[C@H]1[*:1]
CN(C)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O CN(C)C(=O)C[*:1] CS(=O)(=O)N(c1cc(Cl)cc(Cl)c1)[*:1]
CN(C)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O CN(C)C(=O)[*:1] CS(=O)(=O)N(C[*:1])c1cc(Cl)cc(Cl)c1
O=C(Nc1cccnc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1cccnc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1[*:1]
O=C(Nc1cccnc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F c1cncc(c1)[*:1] O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)N[*:1]
O=C(CCn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccccc1F FC(F)(F)[*:1] O=C(CCn1nnc(n1)-c1cccc(c1)[*:1])Nc1ccccc1F
O=C(CCn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CCn1nnc(n1)-c1cccc(c1)C(F)(F)F)N[*:1]
COc1ccccc1[C@@H]1N=C2C=NN(c3ccccc3)[C@@H]2N1 c1ccc(cc1)[*:1] COc1ccccc1[C@@H]1N=C2C=NN([C@@H]2N1)[*:1]
CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 CCO[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)NC(=O)C1CC1)c1ccc(cc1)[*:1]
CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 O=C(N[*:1])C1CC1 CCOc1ccc(cc1)[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 C1CC1[*:1] CCOc1ccc(cc1)[C@@H](C)NC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 CCOc1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)NC(=O)C1CC1)[*:1]
COc1ccccc1CC(=O)N(C)Cc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] COc1ccccc1CC(=O)N(C)Cc1nc(cs1)[*:1]
C=CCN1C(C(C)=O)=C(OC(=O)c2ccc(OC)cc2)c2ccccc2S1(=O)=O CC(=O)[*:1] C=CCN1C(=C(OC(=O)c2ccc(cc2)OC)c2ccccc2S1(=O)=O)[*:1]
C=CCN1C(C(C)=O)=C(OC(=O)c2ccc(OC)cc2)c2ccccc2S1(=O)=O COc1ccc(cc1)[*:1] C=CCN1C(C(C)=O)=C(OC(=O)[*:1])c2ccccc2S1(=O)=O
C=CCN1C(C(C)=O)=C(OC(=O)c2ccc(OC)cc2)c2ccccc2S1(=O)=O C=CC[*:1] COc1ccc(cc1)C(=O)OC1=C(C(C)=O)N(S(=O)(=O)c2ccccc21)[*:1]
COCCS(=O)(=O)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 COC[*:1] C[C@H](NC(=O)CS(=O)(=O)C[*:1])c1ccc2ccccc2c1
COCCS(=O)(=O)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 COCCS(=O)(=O)[*:1] C[C@H](NC(=O)C[*:1])c1ccc2ccccc2c1
COCCS(=O)(=O)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 COCC[*:1] C[C@H](NC(=O)CS(=O)(=O)[*:1])c1ccc2ccccc2c1
CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 CCO[*:1] O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1[*:1]
Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3cc(F)ccc3F)ccc2=O)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](Sc1ccc(=O)n(n1)[*:1])C(=O)Nc1cc(F)ccc1F
Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3cc(F)ccc3F)ccc2=O)cc1C Fc1ccc(F)c(c1)[*:1] Cc1ccc(cc1C)-n1nc(ccc1=O)S[C@H](C)C(=O)N[*:1]
CCC[NH+]1CCC(N(C)C(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 CC(C)NS(=O)(=O)[*:1] CCC[NH+]1CCC(CC1)N(C)C(=O)c1ccc(F)c(c1)[*:1]
CCC[NH+]1CCC(N(C)C(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 CCC[*:1] CC(C)NS(=O)(=O)c1cc(ccc1F)C(=O)N(C)C1CC[NH+](CC1)[*:1]
CCC[NH+]1CCC(N(C)C(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 CC(C)[*:1] CCC[NH+]1CCC(CC1)N(C)C(=O)c1ccc(F)c(c1)S(=O)(=O)N[*:1]
O=C(Nc1ccccc1)N(Cc1cccnc1)Cc1ccccc1Cl Clc1ccccc1C[*:1] O=C(Nc1ccccc1)N(Cc1cccnc1)[*:1]
O=C(Nc1ccccc1)N(Cc1cccnc1)Cc1ccccc1Cl c1cncc(c1)[*:1] O=C(Nc1ccccc1)N(Cc1ccccc1Cl)C[*:1]
O=C(Nc1ccccc1)N(Cc1cccnc1)Cc1ccccc1Cl c1ccc(cc1)[*:1] O=C(N[*:1])N(Cc1cccnc1)Cc1ccccc1Cl
O=C(Nc1ccccc1)N(Cc1cccnc1)Cc1ccccc1Cl c1cncc(c1)C[*:1] O=C(Nc1ccccc1)N(Cc1ccccc1Cl)[*:1]
O=C(Nc1ccccc1)N(Cc1cccnc1)Cc1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1ccccc1)N(Cc1cccnc1)C[*:1]
Cc1ncc(N2C(=O)S[C@](C)(CCO)[C@@H]2C)c(N)n1 OCC[*:1] Cc1ncc(c(N)n1)N1C(=O)S[C@](C)([C@@H]1C)[*:1]
CCN(Cc1nn(-c2ccc(F)cc2)c2c1C[NH+](Cc1ccc(F)cc1)CC2)C(C)=O CCN(C(C)=O)[*:1] Fc1ccc(cc1)C[NH+]1CCc2c(C1)c(C[*:1])nn2-c1ccc(F)cc1
CCN(Cc1nn(-c2ccc(F)cc2)c2c1C[NH+](Cc1ccc(F)cc1)CC2)C(C)=O Fc1ccc(cc1)[*:1] CCN(Cc1nn(c2CC[NH+](Cc3ccc(F)cc3)Cc12)[*:1])C(C)=O
CCN(Cc1nn(-c2ccc(F)cc2)c2c1C[NH+](Cc1ccc(F)cc1)CC2)C(C)=O CCN(C[*:1])C(C)=O Fc1ccc(cc1)C[NH+]1CCc2c(C1)c(nn2-c1ccc(F)cc1)[*:1]
CCN(Cc1nn(-c2ccc(F)cc2)c2c1C[NH+](Cc1ccc(F)cc1)CC2)C(C)=O Fc1ccc(cc1)[*:1] CCN(Cc1nn(-c2ccc(F)cc2)c2CC[NH+](Cc12)C[*:1])C(C)=O
CCN(Cc1nn(-c2ccc(F)cc2)c2c1C[NH+](Cc1ccc(F)cc1)CC2)C(C)=O Fc1ccc(cc1)C[*:1] CCN(Cc1nn(-c2ccc(F)cc2)c2CC[NH+](Cc12)[*:1])C(C)=O
Cc1ccc(NC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)N[*:1]
NC(=O)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccc1 Brc1ccc(s1)[*:1] NC(=O)[C@H](NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1])c1ccccc1
NC(=O)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](NC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1ccc(Br)s1)[*:1]
NC(=O)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccc1 NC(=O)[*:1] O=C(N[C@H](c1ccccc1)[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc(Br)s1
Cc1sc2nc(CC[NH3+])nc(NC[C@H](C)Oc3cccnc3)c2c1C [NH3+]CC[*:1] Cc1sc2nc(nc(NC[C@H](C)Oc3cccnc3)c2c1C)[*:1]
Cc1sc2nc(CC[NH3+])nc(NC[C@H](C)Oc3cccnc3)c2c1C c1cncc(c1)[*:1] Cc1sc2nc(CC[NH3+])nc(NC[C@H](C)O[*:1])c2c1C
Cc1sc2nc(CC[NH3+])nc(NC[C@H](C)Oc3cccnc3)c2c1C c1cncc(c1)O[*:1] Cc1sc2nc(CC[NH3+])nc(NC[C@H](C)[*:1])c2c1C
Cc1ccc([C@H](NC(=O)NC[C@H]2CCC[C@@H]2O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@H]1CCC[C@@H]1O)N[C@H](c1ccccc1)[*:1]
Cc1ccc([C@H](NC(=O)NC[C@H]2CCC[C@@H]2O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](NC(=O)NC[C@H]1CCC[C@@H]1O)[*:1]
CCC[NH+]1CCC(n2c(=S)[nH]c3c(C)nn(CC)c32)CC1 CCC[*:1] CCn1nc(C)c2[nH]c(=S)n(c21)C1CC[NH+](CC1)[*:1]
Cc1nc(CS(=O)(=O)CC(=O)N(C2CC2)[C@@H](C)C2CC2)sc1C Cc1nc(sc1C)[*:1] C[C@@H](C1CC1)N(C(=O)CS(=O)(=O)C[*:1])C1CC1
Cc1nc(CS(=O)(=O)CC(=O)N(C2CC2)[C@@H](C)C2CC2)sc1C C1CC1[*:1] Cc1nc(CS(=O)(=O)CC(=O)N(C2CC2)[C@@H](C)[*:1])sc1C
Cc1nc(CS(=O)(=O)CC(=O)N(C2CC2)[C@@H](C)C2CC2)sc1C C1CC1[*:1] Cc1nc(CS(=O)(=O)CC(=O)N([C@@H](C)C2CC2)[*:1])sc1C
Cc1nc(CS(=O)(=O)CC(=O)N(C2CC2)[C@@H](C)C2CC2)sc1C C[C@@H](C1CC1)[*:1] Cc1nc(CS(=O)(=O)CC(=O)N(C2CC2)[*:1])sc1C
Cc1ccc2c(c1)CCN2CC(=O)NCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc2c(c1)CCN2CC(=O)NCc1ccccc1[*:1]
CNS(=O)(=O)Cc1ccc(CNc2ncccn2)cc1 CNS(=O)(=O)[*:1] c1cnc(nc1)NCc1ccc(cc1)C[*:1]
CNS(=O)(=O)Cc1ccc(CNc2ncccn2)cc1 CNS(=O)(=O)C[*:1] c1cnc(nc1)NCc1ccc(cc1)[*:1]
CNS(=O)(=O)Cc1ccc(CNc2ncccn2)cc1 c1cnc(nc1)[*:1] CNS(=O)(=O)Cc1ccc(cc1)CN[*:1]
Cc1c(-c2cccs2)n[nH]c1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 c1csc(c1)[*:1] Cc1c(n[nH]c1C(=O)N[C@@H](C)c1ccc2CCCc2c1)[*:1]
Cc1ccoc1[C@H](C)[NH2+][C@H](C)Cc1cccs1 c1csc(c1)[*:1] Cc1ccoc1[C@H](C)[NH2+][C@H](C)C[*:1]
CSCc1ccnc(N2CCC[C@@H]2c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CSCc1ccnc(c1)N1CCC[C@H]1[*:1]
CSCc1ccnc(N2CCC[C@@H]2c2cccc(F)c2)c1 CSC[*:1] Fc1cccc(c1)[C@H]1CCCN1c1cc(ccn1)[*:1]
COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)ccc1O O=[N+]([O-])[*:1] COc1cc(ccc1O)[C@H]1NC(=S)NC(C)=C1C(=O)N/N=C/c1cccc(c1)[*:1]
COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)ccc1O COc1cc(ccc1O)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N/N=C/c1cccc(c1)[N+](=O)[O-])[*:1]
COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)ccc1O O=[N+]([O-])c1cccc(c1)[*:1] COc1cc(ccc1O)[C@H]1NC(=S)NC(C)=C1C(=O)NN=C[*:1]
[NH3+]CCCCCc1ccco1 [NH3+]CC[*:1] c1coc(c1)CCC[*:1]
CC[C@@H](C)SCC(=O)Nc1ccc(N)cc1Br CC[C@@H](C)S[*:1] Nc1ccc(NC(=O)C[*:1])c(Br)c1
CC[C@@H](C)SCC(=O)Nc1ccc(N)cc1Br CC[C@@H](C)[*:1] Nc1ccc(NC(=O)CS[*:1])c(Br)c1
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)C3=O)sc1C Cc1cc(sc1C)[*:1] CN1C(=O)c2ccc(cc2C1=O)[N-]S(=O)(=O)[*:1]
COC(=O)c1cncc(C(=O)NC[C@@H](C)c2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] COC(=O)c1cncc(c1)C(=O)NC[C@@H](C)[*:1]
COC(=O)c1cncc(C(=O)NC[C@@H](C)c2ccc(F)c(F)c2)c1 COC(=O)[*:1] C[C@H](CNC(=O)c1cncc(c1)[*:1])c1ccc(F)c(F)c1
CCC[C@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)CCO1 O=C1CCCN1[*:1] CCC[C@H]1CN(CCO1)C(=O)c1cc(ccc1Cl)[*:1]
CCC[C@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)CCO1 CCC[*:1] O=C(c1cc(ccc1Cl)N1CCCC1=O)N1CCO[C@H](C1)[*:1]
O=C(CC[NH2+][C@@H]1CCc2c(F)ccc(Br)c21)N1CCCC1 O=C(N1CCCC1)[*:1] Fc1ccc(Br)c2c1CC[C@H]2[NH2+]CC[*:1]
Cc1c(O)ccc(C(=O)Cc2ccccc2)c1O c1ccc(cc1)[*:1] Cc1c(O)ccc(C(=O)C[*:1])c1O
Cc1c(NCc2cccs2)cc(N)cc1S(N)(=O)=O c1csc(c1)C[*:1] Cc1c(cc(N)cc1S(N)(=O)=O)N[*:1]
Cc1c(NCc2cccs2)cc(N)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1c(cc(N)cc1[*:1])NCc1cccs1
Cc1c(NCc2cccs2)cc(N)cc1S(N)(=O)=O c1csc(c1)[*:1] Cc1c(cc(N)cc1S(N)(=O)=O)NC[*:1]
CC1=C2C(=O)N=C(CS[C@H](C)C(=O)Nc3nc(-c4ccc(C)cc4C)cs3)N=C2S[C@H]1C Cc1ccc(c(C)c1)[*:1] CC1=C2C(=O)N=C(CS[C@H](C)C(=O)Nc3nc(cs3)[*:1])N=C2S[C@H]1C
O=C1CN(c2ccccc2)c2ccc(Cl)cc2N1 c1ccc(cc1)[*:1] O=C1CN(c2ccc(Cl)cc2N1)[*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H](Sc2ccc(Cl)cc2)C1 CC(C)[*:1] O=C([O-])[C@]1(CCC[C@H](C1)Sc1ccc(Cl)cc1)[NH2+][*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H](Sc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(C)[NH2+][C@@]1(CCC[C@H](C1)S[*:1])C(=O)[O-]
CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H](Sc2ccc(Cl)cc2)C1 O=C([O-])[*:1] CC(C)[NH2+][C@@]1(CCC[C@H](C1)Sc1ccc(Cl)cc1)[*:1]
N#Cc1nccn1-c1nc2sccn2c1C[NH2+]C1CC1 C1CC1[*:1] N#Cc1nccn1-c1nc2sccn2c1C[NH2+][*:1]
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] C[C@H](Oc1ccc(cc1)[N+](=O)[O-])C(=O)Nc1ccccc1[*:1]
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 O=[N+]([O-])[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)Nc1ccccc1C(=O)N1CCCCCC1
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 O=[N+]([O-])c1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1ccccc1C(=O)N1CCCCCC1)[*:1]
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccccc1C(=O)N1CCCCCC1
COC(=O)CCSc1ncc(N)cc1Br COC(=O)[*:1] Nc1cnc(SCC[*:1])c(Br)c1
COC(=O)CCSc1ncc(N)cc1Br COC(=O)C[*:1] Nc1cnc(SC[*:1])c(Br)c1
CCn1nccc1CN(C)S(=O)(=O)c1cc(OC)ccc1OC CCn1nccc1[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N(C)C[*:1]
NC(=O)c1ccc(NC(=O)Cn2ccc3cc(Cl)ccc32)cc1 NC(=O)[*:1] O=C(Cn1ccc2cc(Cl)ccc21)Nc1ccc(cc1)[*:1]
Cc1cc(C)c2c(OCC(=O)O[C@H](C)Cn3cccn3)nn(C)c2n1 c1cnn(c1)[*:1] Cc1cc(C)c2c(nn(C)c2n1)OCC(=O)O[C@H](C)C[*:1]
Cc1cc(C)c2c(OCC(=O)O[C@H](C)Cn3cccn3)nn(C)c2n1 c1cnn(c1)C[*:1] Cc1cc(C)c2c(nn(C)c2n1)OCC(=O)O[C@H](C)[*:1]
Cc1cc(CN2CCn3c(nnc3-c3ccccc3)C2)ccc1-n1cncn1 c1ccc(cc1)[*:1] Cc1cc(ccc1-n1cncn1)CN1CCn2c(C1)nnc2[*:1]
Cc1cc(CN2CCn3c(nnc3-c3ccccc3)C2)ccc1-n1cncn1 c1ncn(n1)[*:1] Cc1cc(ccc1[*:1])CN1CCn2c(C1)nnc2-c1ccccc1
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccnc1N1CCCC1 C1CCN(C1)[*:1] C[C@@H](Oc1ccc2CCCc2c1)C(=O)Nc1cccnc1[*:1]
COc1cccc(CCNCc2cc3c(C)cc(C)cc3n3c(=O)n(C)nc23)c1 COc1cccc(c1)[*:1] Cc1cc(C)c2cc(CNCC[*:1])c3nn(C)c(=O)n3c2c1
COc1cccc(CCNCc2cc3c(C)cc(C)cc3n3c(=O)n(C)nc23)c1 COc1cccc(c1)C[*:1] Cc1cc(C)c2cc(CNC[*:1])c3nn(C)c(=O)n3c2c1
CCn1cc[nH+]c1CN[C@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C CC(C)[*:1] CCn1cc[nH+]c1CN[C@H]1CCN(C[C@@H]1C)S(=O)(=O)[*:1]
N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)CCN1CCC[C@@H]1[*:1]
CCCNC(=O)CCNC(=O)N1CC[C@H](C)C[C@H]1C CCC[*:1] C[C@H]1CCN(C(=O)NCCC(=O)N[*:1])[C@H](C)C1
CCCNC(=O)CCNC(=O)N1CC[C@H](C)C[C@H]1C CCCNC(=O)[*:1] C[C@H]1CCN(C(=O)NCC[*:1])[C@H](C)C1
CCOC(=O)C1=C(C)N=C(C)[C@@H]1S(=O)(=O)N1CCC(C(=O)Nc2ncccc2C)CC1 CCOC(=O)[*:1] CC1=NC(C)=C([C@H]1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ncccc1C)[*:1]
CCOC(=O)C1=C(C)N=C(C)[C@@H]1S(=O)(=O)N1CCC(C(=O)Nc2ncccc2C)CC1 Cc1cccnc1[*:1] CCOC(=O)C1=C(C)N=C(C)[C@@H]1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCOC(=O)C1=C(C)N=C(C)[C@@H]1S(=O)(=O)N1CCC(C(=O)Nc2ncccc2C)CC1 Cc1cccnc1NC(=O)[*:1] CCOC(=O)C1=C(C)N=C(C)[C@@H]1S(=O)(=O)N1CCC(CC1)[*:1]
CC(C)c1ccc(OCc2cccc(O)c2)cc1 CC(C)[*:1] Oc1cccc(c1)COc1ccc(cc1)[*:1]
COc1cccc(-c2nc(CC(=O)Nc3ccccc3)no2)n1 c1ccc(cc1)[*:1] COc1cccc(n1)-c1nc(CC(=O)N[*:1])no1
Cc1ccc(C2(O)CCN(C(=O)CN3CCOC3=O)CC2)nc1 O=C1OCCN1C[*:1] Cc1ccc(nc1)C1(O)CCN(CC1)C(=O)[*:1]
Cc1ccc(C2(O)CCN(C(=O)CN3CCOC3=O)CC2)nc1 O=C1OCCN1[*:1] Cc1ccc(nc1)C1(O)CCN(CC1)C(=O)C[*:1]
Cc1ccc(C2(O)CCN(C(=O)CN3CCOC3=O)CC2)nc1 Cc1ccc(nc1)[*:1] O=C(CN1CCOC1=O)N1CCC(O)(CC1)[*:1]
CCCCOC1(NC(=O)c2ccccc2)C(C)=CC(=O)C=C1C CCCCO[*:1] CC1=CC(=O)C=C(C)C1(NC(=O)c1ccccc1)[*:1]
CCCCOC1(NC(=O)c2ccccc2)C(C)=CC(=O)C=C1C c1ccc(cc1)[*:1] CCCCOC1(NC(=O)[*:1])C(C)=CC(=O)C=C1C
CCCCOC1(NC(=O)c2ccccc2)C(C)=CC(=O)C=C1C CCC[*:1] CC1=CC(=O)C=C(C)C1(NC(=O)c1ccccc1)OC[*:1]
CCCCOC1(NC(=O)c2ccccc2)C(C)=CC(=O)C=C1C CCCC[*:1] CC1=CC(=O)C=C(C)C1(NC(=O)c1ccccc1)O[*:1]
Cc1ccc(CC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1C Brc1cccc(c1)[*:1] Cc1ccc(cc1C)CC(=O)NCc1nc(no1)[*:1]
Cc1ccc(CC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1C Cc1ccc(cc1C)[*:1] O=C(C[*:1])NCc1nc(no1)-c1cccc(Br)c1
CCSc1ccccc1C(=O)Nc1nnc(-c2ccc(C)cc2C)o1 Cc1ccc(c(C)c1)[*:1] CCSc1ccccc1C(=O)Nc1nnc(o1)[*:1]
CCSc1ccccc1C(=O)Nc1nnc(-c2ccc(C)cc2C)o1 CCS[*:1] Cc1ccc(-c2nnc(NC(=O)c3ccccc3[*:1])o2)c(C)c1
CCN[C@@]1(C#N)CCC[C@@H](N2CC[NH+](C3CC3)CC2)C1 CCN[*:1] N#C[C@]1(CCC[C@H](C1)N1CC[NH+](CC1)C1CC1)[*:1]
CCN[C@@]1(C#N)CCC[C@@H](N2CC[NH+](C3CC3)CC2)C1 C1CC1[*:1] CCN[C@@]1(C#N)CCC[C@H](C1)N1CC[NH+](CC1)[*:1]
COc1cccc(CC(=O)Nc2ccccc2CCc2nc3ccccc3n2C)c1 Cn1c(nc2ccccc21)[*:1] COc1cccc(c1)CC(=O)Nc1ccccc1CC[*:1]
COc1cccc(CC(=O)Nc2ccccc2CCc2nc3ccccc3n2C)c1 COc1cccc(c1)[*:1] Cn1c(CCc2ccccc2NC(=O)C[*:1])nc2ccccc21
COc1cccc(CC(=O)Nc2ccccc2CCc2nc3ccccc3n2C)c1 COc1cccc(c1)C[*:1] Cn1c(CCc2ccccc2NC(=O)[*:1])nc2ccccc21
C[NH+](C)C1(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CCOCC1 CC(C)(C)[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)/C=C/c1ccc(cc1)[*:1]
Nc1c(N2CCCCCC2)ncnc1N1CCCCC1 C1CCN(CC1)[*:1] Nc1c(ncnc1[*:1])N1CCCCCC1
COc1ccc(NC(=O)NC[C@@](C)(O)c2ccsc2)cc1Cl c1cc(cs1)[*:1] COc1ccc(cc1Cl)NC(=O)NC[C@@](C)(O)[*:1]
CC(C)Cn1c([O-])c(C(=O)Nc2nccs2)c(=O)c2ccccc21 O=C(Nc1nccs1)[*:1] CC(C)Cn1c([O-])c(c(=O)c2ccccc21)[*:1]
CC(C)Cn1c([O-])c(C(=O)Nc2nccs2)c(=O)c2ccccc21 CC(C)[*:1] O=C(Nc1nccs1)c1c([O-])n(C[*:1])c2ccccc2c1=O
CC(C)Cn1c([O-])c(C(=O)Nc2nccs2)c(=O)c2ccccc21 CC(C)C[*:1] O=C(Nc1nccs1)c1c([O-])n(c2ccccc2c1=O)[*:1]
CC(C)Cn1c([O-])c(C(=O)Nc2nccs2)c(=O)c2ccccc21 c1csc(n1)[*:1] CC(C)Cn1c([O-])c(C(=O)N[*:1])c(=O)c2ccccc21
CCC[C@@H]1C(=O)NCC(=O)N1Cc1cccc(O)c1 CCC[*:1] O=C1NCC(=O)N(Cc2cccc(O)c2)[C@@H]1[*:1]
Nc1ccc(OCc2nccs2)cc1Cl c1csc(n1)[*:1] Nc1ccc(cc1Cl)OC[*:1]
Cc1nnc(-c2ccc(NC(=O)N(C)[C@@H](C)c3ccccc3F)cc2)o1 Fc1ccccc1[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)N(C)[C@@H](C)[*:1]
Cc1nnc(-c2ccc(NC(=O)N(C)[C@@H](C)c3ccccc3F)cc2)o1 Cc1nnc(o1)[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc(cc1)[*:1]
O=C(CCCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CCC[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1
O=C(CCCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 c1ccc(cc1)CC[*:1] O=C(C[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1
O=C(CCCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(CC[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1
O=C(CCCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 c1ccc(cc1)CCC[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1)[*:1]
O=C(CCCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
COCCn1c(C(=O)N2C[C@@H](C)Oc3ccccc32)cc2ccccc21 COCC[*:1] C[C@@H]1CN(C(=O)c2cc3ccccc3n2[*:1])c2ccccc2O1
COCCn1c(C(=O)N2C[C@@H](C)Oc3ccccc32)cc2ccccc21 COC[*:1] C[C@@H]1CN(C(=O)c2cc3ccccc3n2C[*:1])c2ccccc2O1
Cc1noc(C)c1CCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1 Cc1noc(C)c1C[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nc2ccccc2n(Cc2ccccc2)c1=O
Cc1noc(C)c1CCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1 c1ccc(cc1)C[*:1] Cc1noc(C)c1CCNC(=O)[C@@H]1CCCN(C1)c1nc2ccccc2n(c1=O)[*:1]
Cc1noc(C)c1CCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1 c1ccc(cc1)[*:1] Cc1noc(C)c1CCNC(=O)[C@@H]1CCCN(C1)c1nc2ccccc2n(C[*:1])c1=O
Cc1noc(C)c1CCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1 Cc1noc(C)c1CCNC(=O)[*:1] O=c1c(nc2ccccc2n1Cc1ccccc1)N1CCC[C@H](C1)[*:1]
Cc1noc(C)c1CCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1 Cc1noc(C)c1[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)c1nc2ccccc2n(Cc2ccccc2)c1=O
Cc1noc(C)c1CCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)C1 Cc1noc(C)c1CC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nc2ccccc2n(Cc2ccccc2)c1=O
CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 c1ccc2c(cccc2c1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 CN(C)S(=O)(=O)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CC(=O)N(C1)c1cccc2ccccc12
COc1ccc(C2=N[C@H]([C@@H]3CC(=O)N(C(C)(C)C)C3)N=C2)c(F)c1 CC(C)(C)[*:1] COc1ccc(C2C=N[C@H](N=2)[C@@H]2CC(=O)N(C2)[*:1])c(F)c1
Cc1cccc(CN2C(=O)C[C@@](C)(C(C)C)C2=O)c1 CC(C)[*:1] Cc1cccc(c1)CN1C(=O)C[C@@](C)(C1=O)[*:1]
C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1cnnn1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1cnnn1)[*:1]
C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1cnnn1)[C@H]1CCCO1 c1nnnn1[*:1] C[C@H](NC(=O)[C@@H](Cc1ccccc1)[*:1])[C@H]1CCCO1
C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1cnnn1)[C@H]1CCCO1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C[*:1])n1cnnn1)[C@H]1CCCO1
C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1cnnn1)[C@H]1CCCO1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)[C@@H](n1cnnn1)[*:1])[C@H]1CCCO1
Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)[NH+](C)C)cc1 C[C@@H](N1CCOCC1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)Nc1ccc(cc1)[*:1])[NH+](C)C
Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[C@H](c1ccc(cc1)NC(=O)NC[C@@H]([NH+](C)C)[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)[NH+](C)C)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)Nc1ccc(cc1)[C@@H](C)[*:1])[NH+](C)C
C[C@@H](O)CN(C)C(=O)NC[C@H]1Cc2ccccc2O1 C[C@@H](O)[*:1] CN(C[*:1])C(=O)NC[C@H]1Cc2ccccc2O1
C[C@@H](O)CN(C)C(=O)NC[C@H]1Cc2ccccc2O1 C[C@@H](O)C[*:1] CN(C(=O)NC[C@H]1Cc2ccccc2O1)[*:1]
COc1ccc(CCNC(=O)Nc2ccn(Cc3ccccc3)n2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])Nc1ccn(Cc2ccccc2)n1
COc1ccc(CCNC(=O)Nc2ccn(Cc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CCNC(=O)Nc1ccn(C[*:1])n1
COc1ccc(CCNC(=O)Nc2ccn(Cc3ccccc3)n2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)CCNC(=O)Nc1ccn(n1)[*:1]
CC(C)N(C[C@H]1CCCCO1)S(=O)(=O)c1cccc2nsnc12 C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])S(=O)(=O)c1cccc2nsnc12
CC(C)N(C[C@H]1CCCCO1)S(=O)(=O)c1cccc2nsnc12 CC(C)[*:1] O=S(=O)(c1cccc2nsnc12)N(C[C@H]1CCCCO1)[*:1]
CC(C)N(C[C@H]1CCCCO1)S(=O)(=O)c1cccc2nsnc12 C1CC[C@H](C[*:1])OC1 CC(C)N(S(=O)(=O)c1cccc2nsnc12)[*:1]
CCOc1ccccc1N1C[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)CC1=O c1ccc(cc1)[*:1] CCOc1ccccc1N1C[C@H](CC1=O)C(=O)Nc1cnn(c1)C[*:1]
CCOc1ccccc1N1C[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)CC1=O CCO[*:1] O=C(Nc1cnn(c1)Cc1ccccc1)[C@H]1CC(=O)N(C1)c1ccccc1[*:1]
CCOc1ccccc1N1C[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)CC1=O CCOc1ccccc1[*:1] O=C(Nc1cnn(c1)Cc1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
CCOc1ccccc1N1C[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)CC1=O c1ccc(cc1)C[*:1] CCOc1ccccc1N1C[C@H](CC1=O)C(=O)Nc1cnn(c1)[*:1]
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(C)no1 Cc1noc(C[*:1])n1 COC(=O)C[C@H]1c2cc(OC)c(cc2CCN1[*:1])OC
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(C)no1 Cc1noc(n1)[*:1] COC(=O)C[C@H]1c2cc(OC)c(cc2CCN1C[*:1])OC
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(C)no1 COC(=O)[*:1] COc1cc2CCN(Cc3nc(C)no3)[C@@H](C[*:1])c2cc1OC
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(C)no1 COC(=O)C[*:1] COc1cc2CCN(Cc3nc(C)no3)[C@H](c2cc1OC)[*:1]
COC(=O)CCCN(C)C(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1 COC(=O)C[*:1] Cc1c[nH]c(=O)n1-c1ccc(cc1)C(=O)N(C)CC[*:1]
COC(=O)CCCN(C)C(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1 COC(=O)CCC[*:1] Cc1c[nH]c(=O)n1-c1ccc(cc1)C(=O)N(C)[*:1]
COC(=O)CCCN(C)C(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1 COC(=O)CC[*:1] Cc1c[nH]c(=O)n1-c1ccc(cc1)C(=O)N(C)C[*:1]
COC(=O)CCCN(C)C(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1 COC(=O)[*:1] Cc1c[nH]c(=O)n1-c1ccc(cc1)C(=O)N(C)CCC[*:1]
COC(=O)CCCN(C)C(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1 Cc1c[nH]c(=O)n1[*:1] COC(=O)CCCN(C)C(=O)c1ccc(cc1)[*:1]
CCN(Cc1ccccc1)C(=O)CNC(=O)c1cccc(OC)c1F c1ccc(cc1)C[*:1] CCN(C(=O)CNC(=O)c1cccc(OC)c1F)[*:1]
CCN(Cc1ccccc1)C(=O)CNC(=O)c1cccc(OC)c1F c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CNC(=O)c1cccc(OC)c1F
CC(C)CC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 CC(C)[*:1] O=C(C[*:1])Nc1ccc2nc(oc2c1)-c1ccccc1
CC(C)CC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 CC(C)C[*:1] O=C(Nc1ccc2nc(oc2c1)-c1ccccc1)[*:1]
CC(C)CC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 CC(C)CC(=O)N[*:1] c1ccc(cc1)-c1nc2ccc(cc2o1)[*:1]
CC(C)CC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 c1ccc(cc1)[*:1] CC(C)CC(=O)Nc1ccc2nc(oc2c1)[*:1]
CCC[C@H]1[C@@H](C)CCCN1CC1=C(C(=O)OCC)CNC(=O)N1 CCOC(=O)[*:1] CCC[C@H]1[C@@H](C)CCCN1CC1NC(=O)NCC=1[*:1]
CCC[C@H]1[C@@H](C)CCCN1CC1=C(C(=O)OCC)CNC(=O)N1 CCC[*:1] CCOC(=O)C1CNC(=O)NC=1CN1CCC[C@H](C)[C@@H]1[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 CC[C@@H](C)NC(=O)[*:1] C[C@H]1CCCCN1C(=O)CN1CCN(CC1)[C@H](C)[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 CC[C@@H](C)[*:1] C[C@H]1CCCCN1C(=O)CN1CCN(CC1)[C@H](C)C(=O)N[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1C CCC[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C1
CCCC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C1
Fc1ccccc1N1CC[NH+]([C@@H](c2ccncc2)c2nnnn2C2CCCCC2)CC1 Fc1ccccc1[*:1] c1cc(ccn1)[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCN(CC1)[*:1]
Fc1ccccc1N1CC[NH+]([C@@H](c2ccncc2)c2nnnn2C2CCCCC2)CC1 c1cc(ccn1)[*:1] Fc1ccccc1N1CC[NH+](CC1)[C@@H](c1nnnn1C1CCCCC1)[*:1]
Fc1ccccc1N1CC[NH+]([C@@H](c2ccncc2)c2nnnn2C2CCCCC2)CC1 C1CCC(CC1)[*:1] Fc1ccccc1N1CC[NH+](CC1)[C@@H](c1ccncc1)c1nnnn1[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)c3cc(C(C)(C)C)nn3C)c2)n1 CC(C)(C)[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)c1cc(nn1C)[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)c3cc(C(C)(C)C)nn3C)c2)n1 Cc1n[nH]c(n1)[*:1] Cn1nc(cc1C(=O)NCc1cccc(c1)[*:1])C(C)(C)C
N#Cc1cccc(NC(=O)C(=O)NCCc2ccccc2F)c1 Fc1ccccc1[*:1] N#Cc1cccc(c1)NC(=O)C(=O)NCC[*:1]
CN(C)C(=O)COc1cccc(CNC(=O)N2CCC[C@@H]2C2CCCC2)c1 CN(C)C(=O)[*:1] O=C(NCc1cccc(c1)OC[*:1])N1CCC[C@@H]1C1CCCC1
CN(C)C(=O)COc1cccc(CNC(=O)N2CCC[C@@H]2C2CCCC2)c1 C1CCC(C1)[*:1] CN(C)C(=O)COc1cccc(c1)CNC(=O)N1CCC[C@H]1[*:1]
CN(C)C(=O)COc1cccc(CNC(=O)N2CCC[C@@H]2C2CCCC2)c1 CN(C)C(=O)CO[*:1] O=C(NCc1cccc(c1)[*:1])N1CCC[C@@H]1C1CCCC1
CN(C)C(=O)COc1cccc(CNC(=O)N2CCC[C@@H]2C2CCCC2)c1 CN(C)C(=O)C[*:1] O=C(NCc1cccc(c1)O[*:1])N1CCC[C@@H]1C1CCCC1
COc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCCC[C@@H]1C Fc1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCC[C@@H]1C)C(=O)N[*:1]
Cc1ccc(NC(=O)c2ccc(OCc3nnc(C(=O)Nc4ccc(F)cc4)s3)cc2)cc1F Cc1ccc(cc1F)[*:1] O=C(N[*:1])c1ccc(cc1)OCc1nnc(s1)C(=O)Nc1ccc(F)cc1
Cc1ccc(NC(=O)c2ccc(OCc3nnc(C(=O)Nc4ccc(F)cc4)s3)cc2)cc1F Cc1ccc(cc1F)NC(=O)[*:1] O=C(Nc1ccc(F)cc1)c1nnc(COc2ccc(cc2)[*:1])s1
Cc1ccc(NC(=O)c2ccc(OCc3nnc(C(=O)Nc4ccc(F)cc4)s3)cc2)cc1F Fc1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)c1ccc(cc1)OCc1nnc(s1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2ccc(OCc3nnc(C(=O)Nc4ccc(F)cc4)s3)cc2)cc1F O=C(Nc1ccc(F)cc1)[*:1] Cc1ccc(cc1F)NC(=O)c1ccc(cc1)OCc1nnc(s1)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)c1cc(C)cc(Br)c1O CC(C)C[*:1] CNC(=O)[C@@H](NC(=O)c1cc(C)cc(Br)c1O)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)c1cc(C)cc(Br)c1O CNC(=O)[*:1] Cc1cc(Br)c(O)c(c1)C(=O)N[C@H](CC(C)C)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)c1cc(C)cc(Br)c1O CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NC(=O)c1cc(C)cc(Br)c1O
Cc1[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc([N+](=O)[O-])c2)nc(=O)c1C Cc1[nH]c(nc(=O)c1C)[*:1] O=C(Nc1cc(nn1[*:1])-c1cccs1)c1cccc(c1)[N+](=O)[O-]
Cc1[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc([N+](=O)[O-])c2)nc(=O)c1C O=[N+]([O-])[*:1] Cc1[nH]c(nc(=O)c1C)-n1nc(cc1NC(=O)c1cccc(c1)[*:1])-c1cccs1
Cc1[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc([N+](=O)[O-])c2)nc(=O)c1C O=[N+]([O-])c1cccc(c1)[*:1] Cc1[nH]c(nc(=O)c1C)-n1nc(cc1NC(=O)[*:1])-c1cccs1
Cc1[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc([N+](=O)[O-])c2)nc(=O)c1C c1csc(c1)[*:1] Cc1[nH]c(nc(=O)c1C)-n1nc(cc1NC(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
CC(C)Nc1nnc(SCc2cn3cc(Cl)ccc3n2)s1 CC(C)[*:1] Clc1ccc2nc(cn2c1)CSc1nnc(N[*:1])s1
CC(C)Nc1nnc(SCc2cn3cc(Cl)ccc3n2)s1 CC(C)N[*:1] Clc1ccc2nc(cn2c1)CSc1nnc(s1)[*:1]
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NC[C@@H]1CCC[C@@H]1O O[C@H]1CCC[C@H]1[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NC[*:1]
COc1ccc(NC(=O)COC(=O)c2cc(Br)ccc2O)c(OC)c1 Oc1ccc(Br)cc1[*:1] COc1ccc(NC(=O)COC(=O)[*:1])c(c1)OC
C[C@H](CNC(=O)CCn1cnc2ccccc2c1=O)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)CCn1cnc2ccccc2c1=O)O[*:1]
C[C@H](CNC(=O)CCn1cnc2ccccc2c1=O)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNC(=O)CCn1cnc2ccccc2c1=O)[*:1]
O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1
O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)[C@@H]1CCC(=O)N(C1)C[*:1]
O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)C[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)[C@@H]1CCC(=O)N(C1)[*:1]
Fc1ccccc1CCCBr BrCC[*:1] Fc1ccccc1C[*:1]
C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2OCCN(C[*:1])[C@@H]2C1
C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 c1ccc(cc1)C[*:1] C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2OCCN([C@@H]2C1)[*:1]
Cc1ccc(C)c(N2CCN(c3[nH+]ccn(CC(C)C)c3=O)CC2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)Cn1cc[nH+]c(c1=O)N1CCN(CC1)[*:1]
Cc1ccc(C)c(N2CCN(c3[nH+]ccn(CC(C)C)c3=O)CC2)c1 CC(C)C[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)c1[nH+]ccn(c1=O)[*:1]
Cc1ccc(C)c(N2CCN(c3[nH+]ccn(CC(C)C)c3=O)CC2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)c1[nH+]ccn(C[*:1])c1=O
Cc1cc(-c2nnc(NC(=O)c3ccccc3Cl)o2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccccc1Cl
Cc1cc(-c2nnc(NC(=O)c3ccccc3Cl)o2)n(C)n1 Clc1ccccc1[*:1] Cc1cc(-c2nnc(NC(=O)[*:1])o2)n(C)n1
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[*:1]
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)O[*:1]
CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1cn(nc1-c1cccs1)[*:1]
CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 CCN(CC)C(=O)[*:1] c1ccc(cc1)-n1cc(c(n1)-c1cccs1)[*:1]
CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 c1csc(c1)[*:1] CCN(CC)C(=O)c1cn(nc1[*:1])-c1ccccc1
Cc1n[nH]c(SCCC(=O)NCC2(c3ccc(Cl)cc3)CC2)n1 Cc1n[nH]c(n1)[*:1] O=C(CCS[*:1])NCC1(CC1)c1ccc(Cl)cc1
Cc1n[nH]c(SCCC(=O)NCC2(c3ccc(Cl)cc3)CC2)n1 Clc1ccc(cc1)[*:1] Cc1n[nH]c(n1)SCCC(=O)NCC1(CC1)[*:1]
Cc1n[nH]c(SCCC(=O)NCC2(c3ccc(Cl)cc3)CC2)n1 Cc1n[nH]c(n1)S[*:1] O=C(CC[*:1])NCC1(CC1)c1ccc(Cl)cc1
NN1[C@@H](SCC(=O)NC2CCCCC2)NN[C@H]1[C@H]1C=C(c2ccccc2)N=N1 O=C(NC1CCCCC1)[*:1] NN1[C@H](NN[C@H]1[C@H]1C=C(N=N1)c1ccccc1)SC[*:1]
NN1[C@@H](SCC(=O)NC2CCCCC2)NN[C@H]1[C@H]1C=C(c2ccccc2)N=N1 c1ccc(cc1)[*:1] NN1[C@H](NN[C@H]1[C@H]1C=C(N=N1)[*:1])SCC(=O)NC1CCCCC1
NN1[C@@H](SCC(=O)NC2CCCCC2)NN[C@H]1[C@H]1C=C(c2ccccc2)N=N1 C1CCC(CC1)[*:1] NN1[C@H](NN[C@H]1[C@H]1C=C(N=N1)c1ccccc1)SCC(=O)N[*:1]
Cc1ncccc1NC(=O)N(C)[C@H](c1ccc(F)cc1)C1CC1 Cc1ncccc1[*:1] CN(C(=O)N[*:1])[C@H](c1ccc(F)cc1)C1CC1
Cc1ncccc1NC(=O)N(C)[C@H](c1ccc(F)cc1)C1CC1 C1CC1[*:1] Cc1ncccc1NC(=O)N(C)[C@H](c1ccc(F)cc1)[*:1]
Cc1ncccc1NC(=O)N(C)[C@H](c1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] Cc1ncccc1NC(=O)N(C)[C@H](C1CC1)[*:1]
O=C(CCOCc1ccccc1)NC[C@@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)CO[*:1] O=C(CC[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
O=C(CCOCc1ccccc1)NC[C@@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)[*:1] O=C(CCOC[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
O=C(CCOCc1ccccc1)NC[C@@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)C[*:1] O=C(CCO[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCC[C@@H](c2nnc3ccccn23)C1 Clc1ccc(cc1)[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCC[C@@H](c2nnc3ccccn23)C1 c1ccn2c(nnc2c1)[*:1] O=C(c1cc(nc2ccccc12)-c1ccc(Cl)cc1)N1CCC[C@@H](C1)[*:1]
O=C([O-])[C@H]1CCCCN1C(=O)CCl O=C([O-])[*:1] O=C(CCl)N1CCCC[C@@H]1[*:1]
Cc1ccc(O[C@H](C)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)O[C@H](C)C(=O)N/N=C/c1cccc(c1)[*:1]
Cc1ccc(O[C@H](C)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](O[*:1])C(=O)N/N=C/c1cccc(c1)[N+](=O)[O-]
COc1ncnc(N(C)C)c1NC(=O)c1cnc2ccc(C)cn12 CN(C)[*:1] COc1ncnc(c1NC(=O)c1cnc2ccc(C)cn12)[*:1]
Cc1cccc(C2(C(=O)NCC(=O)Nc3cn[nH]c3)CCCC2)c1 Cc1cccc(c1)[*:1] O=C(CNC(=O)C1(CCCC1)[*:1])Nc1cn[nH]c1
Cc1cccc(C2(C(=O)NCC(=O)Nc3cn[nH]c3)CCCC2)c1 c1n[nH]cc1[*:1] Cc1cccc(c1)C1(CCCC1)C(=O)NCC(=O)N[*:1]
Cc1cccc(C2(C(=O)NCC(=O)Nc3cn[nH]c3)CCCC2)c1 O=C(Nc1cn[nH]c1)[*:1] Cc1cccc(c1)C1(CCCC1)C(=O)NC[*:1]
CC(C)[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 CC(C)[*:1] [NH3+][C@H]1CCC[C@@H](C1)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)NN=Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(C[*:1])sc1C(=O)NN=Cc1ccccc1
Cc1nc(Cc2ccccc2)sc1C(=O)NN=Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)NN=Cc1ccccc1)[*:1]
Cc1nc(Cc2ccccc2)sc1C(=O)NN=Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(Cc2ccccc2)sc1C(=O)NN=C[*:1]
CC1CC[NH+](CCNC(=O)c2cccc(N(C)C)c2)CC1 CN(C)[*:1] CC1CC[NH+](CCNC(=O)c2cccc(c2)[*:1])CC1
CNC(=O)c1cccc(CO/N=C(/N)[C@@H]2CCOC2)c1 CNC(=O)[*:1] N/C(=N/OCc1cccc(c1)[*:1])[C@@H]1CCOC1
O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] O=C(NCCc1ccc(cc1)-n1cccn1)c1ccc(nc1)[*:1]
O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(-n2cccc2)nc1 c1cnn(c1)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1ccc(nc1)-n1cccc1
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)OC[*:1] COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCCCCC1
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(Cl)cc1 O=S(=O)(N1CCCCCC1)[*:1] COc1ccc(cc1NC(=O)COc1ccc(Cl)cc1)[*:1]
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)CO[*:1])S(=O)(=O)N1CCCCCC1
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] COc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N1CCCCCC1
O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@H]1C[C@@H]1[*:1]
C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cccc2ccccc12 O=[N+]([O-])[*:1] C[C@H](NC(=O)c1ccc(c(c1)[*:1])-n1ccnc1)c1cccc2ccccc12
C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cccc2ccccc12 c1cn(cn1)[*:1] C[C@H](NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1])c1cccc2ccccc12
C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CC1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CC1)c1nc(no1)[*:1]
C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CC1)c1nc(C(C)(C)C)no1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@H](C1CC1)[*:1])c1nc(no1)C(C)(C)C
C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CC1)c1nc(C(C)(C)C)no1 C1CC1[*:1] C[C@@H](NC(=O)N[C@H](c1ccccc1)[*:1])c1nc(no1)C(C)(C)C
CC(=O)NCCCC(=O)Oc1ccccc1-c1nc2ccccc2s1 CC(=O)NC[*:1] O=C(CC[*:1])Oc1ccccc1-c1nc2ccccc2s1
CC(=O)NCCCC(=O)Oc1ccccc1-c1nc2ccccc2s1 CC(=O)NCC[*:1] O=C(C[*:1])Oc1ccccc1-c1nc2ccccc2s1
CC(=O)NCCCC(=O)Oc1ccccc1-c1nc2ccccc2s1 CC(=O)NCCC[*:1] O=C(Oc1ccccc1-c1nc2ccccc2s1)[*:1]
CC(=O)NCCCC(=O)Oc1ccccc1-c1nc2ccccc2s1 CC(=O)N[*:1] O=C(CCC[*:1])Oc1ccccc1-c1nc2ccccc2s1
C#C[C@@H](OC(=O)Cc1ccc(F)c(F)c1)C1CC1 C1CC1[*:1] C#C[C@@H](OC(=O)Cc1ccc(F)c(F)c1)[*:1]
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] O=C([O-])CCCN1C(=O)C(O)=C(C(=O)[*:1])[C@@H]1c1ccc2OCOc2c1
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc3c(c2)OCO3)cc1 O=C([O-])[*:1] Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(CCC[*:1])[C@H]1c1ccc2OCOc2c1
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc3c(c2)OCO3)cc1 O=C([O-])CCC[*:1] Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N([C@H]1c1ccc2OCOc2c1)[*:1]
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C([O-])CCCN1C(=O)C(O)=C([C@@H]1c1ccc2OCOc2c1)[*:1]
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(CCCC(=O)[O-])[C@@H]1[*:1]
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc3c(c2)OCO3)cc1 O=C([O-])CC[*:1] Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C[*:1])[C@H]1c1ccc2OCOc2c1
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc3c(c2)OCO3)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(CC[*:1])[C@H]1c1ccc2OCOc2c1
Cc1cc(Cc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c(=O)[nH]n1 Cc1cc(c(=O)[nH]n1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C[*:1]
C[C@H](CCc1ccccc1)NC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O
C[C@H](CCc1ccccc1)NC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O
C[C@H](CCc1ccccc1)NC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O c1ccc(cc1)CC[*:1] C[C@H](NC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)[*:1]
COc1ccc([C@@H](NC(=O)N[C@@H](c2nc(C)cs2)C2CC2)C(C)C)cc1 COc1ccc(cc1)[*:1] Cc1csc(n1)[C@H](NC(=O)N[C@@H](C(C)C)[*:1])C1CC1
COc1ccc([C@@H](NC(=O)N[C@@H](c2nc(C)cs2)C2CC2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[C@@H](c1nc(C)cs1)C1CC1)[*:1]
COc1ccc([C@@H](NC(=O)N[C@@H](c2nc(C)cs2)C2CC2)C(C)C)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[C@@H](c1nc(C)cs1)[*:1])C(C)C
COc1ccc([C@@H](NC(=O)N[C@@H](c2nc(C)cs2)C2CC2)C(C)C)cc1 Cc1csc(n1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[C@@H](C1CC1)[*:1])C(C)C
CCOC(=O)Nc1ccc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 CCOC(=O)N[*:1] C[C@H]1CC[C@H](CN1C(=O)c1ccc(cc1)[*:1])C(N)=O
CCOC(=O)Nc1ccc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 NC(=O)[*:1] CCOC(=O)Nc1ccc(cc1)C(=O)N1C[C@H](CC[C@@H]1C)[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCOc2ccc(COCc3cccc(F)c3)cc2C1 Fc1cccc(c1)C[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCOc2ccc(cc2C1)CO[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCOc2ccc(COCc3cccc(F)c3)cc2C1 Fc1cccc(c1)COC[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCOc2ccc(cc2C1)[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCOc2ccc(COCc3cccc(F)c3)cc2C1 Fc1cccc(c1)CO[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCOc2ccc(cc2C1)C[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCOc2ccc(COCc3cccc(F)c3)cc2C1 Fc1ccc(F)c(c1)[*:1] O=S(=O)(N1CCOc2ccc(cc2C1)COCc1cccc(F)c1)[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCOc2ccc(COCc3cccc(F)c3)cc2C1 Fc1cccc(c1)[*:1] O=S(=O)(c1cc(F)ccc1F)N1CCOc2ccc(cc2C1)COC[*:1]
O=C(CCCC(=O)N1CCC([C@@H]2NOc3ccc(F)cc32)CC1)Nc1nncs1 O=C(C[*:1])Nc1nncs1 O=C(CC[*:1])N1CCC(CC1)[C@@H]1NOc2ccc(F)cc21
O=C(CCCC(=O)N1CCC([C@@H]2NOc3ccc(F)cc32)CC1)Nc1nncs1 O=C(Nc1nncs1)[*:1] O=C(CCC[*:1])N1CCC(CC1)[C@@H]1NOc2ccc(F)cc21
O=C(CCCC(=O)N1CCC([C@@H]2NOc3ccc(F)cc32)CC1)Nc1nncs1 c1nnc(s1)[*:1] O=C(CCCC(=O)N1CCC(CC1)[C@@H]1NOc2ccc(F)cc21)N[*:1]
CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(N)=O)o1 NC(=O)[*:1] CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(o1)[*:1]
CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(N)=O)o1 CC[C@H](C)[*:1] C[C@H]([NH2+]Cc1ccc(o1)C(N)=O)[*:1]
CN(C)C(=O)c1cc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)ccn1 Clc1ccc(cc1)[*:1] CN(C)C(=O)c1cc(ccn1)NC(=O)C[C@@H](O)[*:1]
CN(C)C(=O)c1cc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)ccn1 CN(C)C(=O)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1ccnc(c1)[*:1]
CC1(C)CN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CCS1 c1ccc(cc1)[*:1] CC1(C)CN(CCS1)C(=O)c1nc(oc1C1CC1)[*:1]
CC1(C)CN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CCS1 C1CC1[*:1] CC1(C)CN(CCS1)C(=O)c1nc(oc1[*:1])-c1ccccc1
Cn1nc(-c2cccs2)cc1C(=O)Nc1cccc2[nH]ccc12 c1csc(c1)[*:1] Cn1nc(cc1C(=O)Nc1cccc2[nH]ccc12)[*:1]
CCOC[C@H]1CCN(C(=O)N[C@H]2CCCn3nc(CC)nc32)C1 CCO[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)N[C@H]2CCCn3nc(CC)nc32)C1 CCOC[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)N1CC[C@@H](C1)[*:1]
COc1cc2c(c([N+](=O)[O-])c1)C(=O)N(CCC[NH+](C)C)c1ccccc1O2 O=[N+]([O-])[*:1] COc1cc2Oc3ccccc3N(CCC[NH+](C)C)C(=O)c2c(c1)[*:1]
COc1ccc(OC)c(N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 CC(C)(C)[*:1] COc1ccc(OC)c(c1)N1/C(=N\C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1nc2ccc(NC(=O)NC[C@H]3CCCN(c4ncccn4)C3)cc2o1 c1cnc(nc1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)NC[C@H]1CCCN(C1)[*:1]
CC[C@H](C)C(=O)NCC(=O)N1CCCC1 CC[C@H](C)[*:1] O=C(CNC(=O)[*:1])N1CCCC1
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 CS(=O)(=O)[*:1] CC(C)(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)[*:1]
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 CC(C)(C)[*:1] CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccc(cc3)[*:1])sc2c1
C[C@@](O)(C[NH2+][C@H](c1ccccc1)C1CCCC1)CN1CCOCC1 c1ccc(cc1)[*:1] C[C@@](O)(C[NH2+][C@H](C1CCCC1)[*:1])CN1CCOCC1
C[C@@](O)(C[NH2+][C@H](c1ccccc1)C1CCCC1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@](O)(C[NH2+][C@H](c1ccccc1)C1CCCC1)C[*:1]
C[C@@](O)(C[NH2+][C@H](c1ccccc1)C1CCCC1)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@](O)(C[NH2+][C@H](c1ccccc1)C1CCCC1)[*:1]
C[C@@](O)(C[NH2+][C@H](c1ccccc1)C1CCCC1)CN1CCOCC1 C1CCC(C1)[*:1] C[C@@](O)(C[NH2+][C@H](c1ccccc1)[*:1])CN1CCOCC1
C[C@H]1SCCC[C@H]1[NH2+]CCC(N)=O NC(=O)[*:1] C[C@H]1SCCC[C@H]1[NH2+]CC[*:1]
C[C@H]1SCCC[C@H]1[NH2+]CCC(N)=O NC(=O)C[*:1] C[C@H]1SCCC[C@H]1[NH2+]C[*:1]
Nc1c(S(=O)(=O)c2ccccc2)cnn1S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nc1c(cnn1S(=O)(=O)[*:1])S(=O)(=O)c1ccccc1
Nc1c(S(=O)(=O)c2ccccc2)cnn1S(=O)(=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] Nc1c(cnn1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)[*:1]
CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](C(=O)[O-])C1 CC(C)(C)[*:1] O=C([O-])[C@H]1CN(Cc2ccnn2C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](C1)[*:1]
NS(=O)(=O)c1cc(N2CC[C@H](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] NS(=O)(=O)c1cc(cc(c1)[N+](=O)[O-])N1CC[C@@H](C1)C[*:1]
NS(=O)(=O)c1cc(N2CC[C@H](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NS(=O)(=O)c1cc(cc(c1)[*:1])N1CC[C@H](Cc2ccccc2)C1
NS(=O)(=O)c1cc(N2CC[C@H](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] NS(=O)(=O)c1cc(cc(c1)[N+](=O)[O-])N1CC[C@H](C1)[*:1]
NS(=O)(=O)c1cc(N2CC[C@H](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 NS(=O)(=O)[*:1] O=[N+]([O-])c1cc(cc(c1)[*:1])N1CC[C@H](Cc2ccccc2)C1
Cc1cc2n(n1)C[C@H](C[NH2+]Cc1nncn1C)CN2 Cn1cnnc1[*:1] Cc1cc2NC[C@@H](C[NH2+]C[*:1])Cn2n1
COc1cccc2c1OC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)C)cc1)C2 CC(C)c1ccc(cc1)[*:1] COc1cccc2C[C@@H](COc21)NC(=O)C(=O)N[*:1]
COc1cccc2c1OC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)C)cc1)C2 CC(C)[*:1] COc1cccc2C[C@@H](COc21)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCN(CC1)S(=O)(=O)[*:1]
CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(Cl)cc1)S2(=O)=O Clc1ccc(cc1)C[*:1] CSc1ncc2c(n1)-c1ccccc1N(S2(=O)=O)[*:1]
CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(Cl)cc1)S2(=O)=O Clc1ccc(cc1)[*:1] CSc1ncc2c(n1)-c1ccccc1N(C[*:1])S2(=O)=O
COc1cccc(CCNC(=O)c2cnc(C(C)(C)C)[nH]c2=O)c1 COc1cccc(c1)[*:1] CC(C)(C)c1ncc(C(=O)NCC[*:1])c(=O)[nH]1
COc1cccc(CCNC(=O)c2cnc(C(C)(C)C)[nH]c2=O)c1 CC(C)(C)[*:1] COc1cccc(c1)CCNC(=O)c1cnc([nH]c1=O)[*:1]
C[C@@H]1CN(C(=O)NC[C@@H](CCO)c2ccccc2)C[C@@H](c2ccccc2)O1 OCC[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)NC[C@@H](c1ccccc1)[*:1]
C[C@@H]1CN(C(=O)NC[C@@H](CCO)c2ccccc2)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)NC[C@@H](CCO)[*:1]
C[C@@H]1CN(C(=O)NC[C@@H](CCO)c2ccccc2)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](O1)[*:1])C(=O)NC[C@@H](CCO)c1ccccc1
Cc1c(C2CC2)n[nH]c1NC(=O)[C@H](C)Oc1ccccc1 C1CC1[*:1] Cc1c(n[nH]c1NC(=O)[C@H](C)Oc1ccccc1)[*:1]
Cc1c(C2CC2)n[nH]c1NC(=O)[C@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] Cc1c(n[nH]c1NC(=O)[C@H](C)O[*:1])C1CC1
Cc1c(C2CC2)n[nH]c1NC(=O)[C@H](C)Oc1ccccc1 c1ccc(cc1)O[*:1] Cc1c(n[nH]c1NC(=O)[C@H](C)[*:1])C1CC1
O=C(Cc1c[nH]c2ccccc12)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(Cc1c[nH]c2ccccc12)N1CCC(CC1)C[*:1]
O=C(Cc1c[nH]c2ccccc12)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] O=C(Cc1c[nH]c2ccccc12)N1CCC(CC1)[*:1]
CC(C)COC1CCN(C(=O)COc2ccccc2Cl)CC1 CC(C)CO[*:1] O=C(COc1ccccc1Cl)N1CCC(CC1)[*:1]
CC(C)COC1CCN(C(=O)COc2ccccc2Cl)CC1 CC(C)C[*:1] O=C(COc1ccccc1Cl)N1CCC(CC1)O[*:1]
CC(C)COC1CCN(C(=O)COc2ccccc2Cl)CC1 Clc1ccccc1[*:1] CC(C)COC1CCN(CC1)C(=O)CO[*:1]
CC(C)COC1CCN(C(=O)COc2ccccc2Cl)CC1 CC(C)[*:1] O=C(COc1ccccc1Cl)N1CCC(CC1)OC[*:1]
Cc1cc(S[C@@H](C(=O)NCc2cccnc2)C(C)C)nc(C)n1 CC(C)[*:1] Cc1cc(nc(C)n1)S[C@@H](C(=O)NCc1cccnc1)[*:1]
Cc1cc(S[C@@H](C(=O)NCc2cccnc2)C(C)C)nc(C)n1 c1cncc(c1)C[*:1] Cc1cc(nc(C)n1)S[C@@H](C(=O)N[*:1])C(C)C
Cc1cc(S[C@@H](C(=O)NCc2cccnc2)C(C)C)nc(C)n1 c1cncc(c1)[*:1] Cc1cc(nc(C)n1)S[C@@H](C(=O)NC[*:1])C(C)C
CC[C@H]1CCCN(C(=O)NCc2ccc(S(=O)(=O)NC)s2)C1 CNS(=O)(=O)[*:1] CC[C@H]1CCCN(C1)C(=O)NCc1ccc(s1)[*:1]
CC[C@@H]1CCC[C@@](Cc2ccccn2)(C(=O)[O-])C1 c1ccc(nc1)[*:1] CC[C@@H]1CCC[C@@](C1)(C[*:1])C(=O)[O-]
CC[C@@H]1CCC[C@@](Cc2ccccn2)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H]1CCC[C@@](Cc2ccccn2)(C1)[*:1]
CCCCC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 CCC[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)N1CCc2ccccc21
CCCCC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 CCCC[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCc2ccccc21
CCCCC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 CCCCC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCc2ccccc21
COc1ccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccncc2)C3=O)cc1 c1cc(ccn1)C[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N([C@@H](c3cccc(c3)[N+](=O)[O-])c12)[*:1]
COc1ccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccncc2)C3=O)cc1 COc1ccc(cc1)[*:1] O=C1c2[nH]nc(c2[C@H](c2cccc(c2)[N+](=O)[O-])N1Cc1ccncc1)[*:1]
COc1ccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccncc2)C3=O)cc1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N(Cc3ccncc3)[C@@H](c12)[*:1]
COc1ccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccncc2)C3=O)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N(C[*:1])[C@@H](c3cccc(c3)[N+](=O)[O-])c12
COc1ccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccncc2)C3=O)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N(Cc3ccncc3)[C@@H](c3cccc(c3)[*:1])c12
O=C(NCc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 Clc1cccc(c1)C[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
O=C(NCc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(NCc1cccc(Cl)c1)c1cccc(c1)[*:1]
O=C(NCc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 Clc1cccc(c1)[*:1] O=C(NC[*:1])c1cccc(c1)S(=O)(=O)N1CCCC1
CC(C)[C@H](C)S[C@H](C(=O)NC(C)(C)C)C(C)C CC(C)[C@H](C)[*:1] CC(C)[C@H](S[*:1])C(=O)NC(C)(C)C
CC(C)[C@H](C)S[C@H](C(=O)NC(C)(C)C)C(C)C CC(C)(C)[*:1] CC(C)[C@H](C)S[C@H](C(=O)N[*:1])C(C)C
CC(C)[C@H](C)S[C@H](C(=O)NC(C)(C)C)C(C)C CC(C)[*:1] CC(C)[C@H](C)S[C@H](C(=O)NC(C)(C)C)[*:1]
CC(C)[C@H](C)S[C@H](C(=O)NC(C)(C)C)C(C)C CC(C)[*:1] CC(C)[C@H](S[C@@H](C)[*:1])C(=O)NC(C)(C)C
CCn1nc(CNC(=O)C2CC[NH+](C(C)C)CC2)c2ccccc21 CC(C)[*:1] CCn1nc(CNC(=O)C2CC[NH+](CC2)[*:1])c2ccccc21
Cc1cc(C(F)(F)CC(C)(C)CC(=O)[O-])sc1Br O=C([O-])C[*:1] Cc1cc(sc1Br)C(F)(F)CC(C)(C)[*:1]
Cc1cc(C(F)(F)CC(C)(C)CC(=O)[O-])sc1Br O=C([O-])[*:1] Cc1cc(sc1Br)C(F)(F)CC(C)(C)C[*:1]
N#CC1=C(N)SC2=C(C(=O)c3ccccc32)[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] N#CC1=C(N)SC2=C(C(=O)c3ccccc32)[C@H]1[*:1]
N#CC1=C(N)SC2=C(C(=O)c3ccccc32)[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] N#CC1=C(N)SC2=C(C(=O)c3ccccc32)[C@@H]1C[*:1]
CC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1C c1cc(cs1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N1C[C@H](C)O[C@@H](C1)[*:1]
CC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1C[C@H](C)O[C@H](C1)c1ccsc1
Cc1ccc(C)c(-n2ncc(C[NH3+])c2C(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(C)c(c1)-n1ncc(C[NH3+])c1[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(c1cccc(Cl)c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCCCNC(=O)C1CCC1)N[C@H]1CCc2ccccc21 C1CC(C1)[*:1] O=C(NCCCNC(=O)[*:1])N[C@H]1CCc2ccccc21
O=C(NCCCNC(=O)C1CCC1)N[C@H]1CCc2ccccc21 O=C(N[*:1])C1CCC1 O=C(NCCC[*:1])N[C@H]1CCc2ccccc21
Cc1ccccc1C[S@@](=O)CC(=O)Nc1ccc(F)c(Cl)c1 Cc1ccccc1[*:1] O=C(C[S@](=O)C[*:1])Nc1ccc(F)c(Cl)c1
C[C@@H]1CC([NH2+][C@@](C)(C(=O)[O-])C(F)(F)F)C[C@@H](C)C1 FC(F)(F)[*:1] C[C@@H]1CC(C[C@@H](C)C1)[NH2+][C@@](C)(C(=O)[O-])[*:1]
C[C@@H]1CC([NH2+][C@@](C)(C(=O)[O-])C(F)(F)F)C[C@@H](C)C1 O=C([O-])[*:1] C[C@@H]1CC(C[C@@H](C)C1)[NH2+][C@@](C)(C(F)(F)F)[*:1]
C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1cccc(C2SCCS2)c1 C1CC1n1nnnc1[*:1] C[C@H](S[*:1])C(=O)Nc1cccc(c1)C1SCCS1
C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1cccc(C2SCCS2)c1 C1CC1[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)Nc1cccc(c1)C1SCCS1
C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1cccc(C2SCCS2)c1 C1CSC(S1)[*:1] C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1cccc(c1)[*:1]
N#CCc1ccc(OC[C@H](O)CN2CCc3c(F)ccc(F)c3C2)cc1 N#CC[*:1] O[C@@H](COc1ccc(cc1)[*:1])CN1CCc2c(F)ccc(F)c2C1
CCOc1ccc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)cc1 CCO[*:1] Cc1ccc(cc1)N1C(=O)S/C(=C\c2ccc(cc2)[*:1])C1=O
CCOc1ccc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 CC(C)[*:1] O=C(NC[C@H]1CCO[C@H]1[*:1])N[C@@H](CC(F)(F)F)c1ccc(F)cc1
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CC(F)(F)F)[*:1]
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C[*:1])c1ccc(F)cc1
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccn3)cn2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCc1ccccn1)Nc1ccc(nc1)O[*:1]
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccn3)cn2)cc1 c1ccc(nc1)[*:1] N#Cc1ccc(cc1)Oc1ccc(cn1)NC(=O)NC[*:1]
N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccccn3)cn2)cc1 c1ccc(C[*:1])nc1 N#Cc1ccc(cc1)Oc1ccc(cn1)NC(=O)N[*:1]
CC1(C)CC[C@@H](CNC(=O)NC[C@H](O)c2ccco2)c2ccccc21 c1coc(c1)[*:1] CC1(C)CC[C@@H](CNC(=O)NC[C@H](O)[*:1])c2ccccc21
CC1(C)CC[C@@H](CNC(=O)NC[C@H](O)c2ccco2)c2ccccc21 O[C@@H](C[*:1])c1ccco1 CC1(C)CC[C@@H](CNC(=O)N[*:1])c2ccccc21
CC1(C)CC[C@@H](CNC(=O)NC[C@H](O)c2ccco2)c2ccccc21 O[C@H](c1ccco1)[*:1] CC1(C)CC[C@@H](CNC(=O)NC[*:1])c2ccccc21
CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 c1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cccnc1 c1cncc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)N1C[C@H](C)C[C@@H](C)C1
Cc1cccc(NC(=O)CN(C)C(=O)CCn2c(=O)oc3cc(Cl)ccc32)c1C Cc1cccc(c1C)[*:1] CN(CC(=O)N[*:1])C(=O)CCn1c(=O)oc2cc(Cl)ccc21
O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccnn1Cc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccnn1C[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccnn1Cc1ccccc1Cl Clc1ccccc1C[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccnn1[*:1]
CC[NH2+][C@@H](CSc1ccccc1Br)Cc1cccc(O)c1 Brc1ccccc1[*:1] CC[NH2+][C@@H](CS[*:1])Cc1cccc(O)c1
CC[NH2+][C@@H](CSc1ccccc1Br)Cc1cccc(O)c1 Oc1cccc(c1)[*:1] CC[NH2+][C@@H](CSc1ccccc1Br)C[*:1]
COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cnc2ccsc2c1 COC(=O)[*:1] CN(Cc1cnc2ccsc2c1)[C@@H](c1cc(F)c(F)c(F)c1)[*:1]
O=C(CSc1nnc(-c2ccccc2Cl)o1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(CSc1nnc(o1)-c1ccccc1Cl)NC[*:1]
O=C(CSc1nnc(-c2ccccc2Cl)o1)NC[C@H]1CCCO1 Clc1ccccc1[*:1] O=C(CSc1nnc(o1)[*:1])NC[C@H]1CCCO1
O=C(CSc1nnc(-c2ccccc2Cl)o1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(CSc1nnc(o1)-c1ccccc1Cl)N[*:1]
CCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CC[C@H](SC)C1 CCO[*:1] CS[C@H]1CC[C@H](C1)NC(=O)C(=O)Nc1ccc(C)cc1[*:1]
O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(Oc1ccc2c(=O)c(coc2c1)[*:1])[C@@H]1CCCO1
CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2)sc2cc(C(=O)OC)ccc21 CCOC(=O)[*:1] COC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccccc1)n2C[*:1]
CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2)sc2cc(C(=O)OC)ccc21 COC(=O)[*:1] CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2)sc2cc(ccc21)[*:1]
CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2)sc2cc(C(=O)OC)ccc21 CCOC(=O)C[*:1] COC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccccc1)n2[*:1]
CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2)sc2cc(C(=O)OC)ccc21 c1ccc(cc1)[*:1] CCOC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc(ccc21)C(=O)OC
O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(c1cc2CCCc2[nH]c1=O)N1CCC[C@H]1[*:1]
CC(=O)Nc1cccc(CNc2ccc3cc(C#N)ccc3n2)c1 CC(=O)N[*:1] N#Cc1ccc2nc(ccc2c1)NCc1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(C)c3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(CCC(=O)N2CCN(CC2)S(=O)(=O)[*:1])c(C)c1C
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(C)c3C)CC2)cc1 Cc1nn(c(C)c1C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CC[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(C)c3C)CC2)cc1 Cc1nn(C[*:1])c(C)c1C Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
O=C(c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1)N1CC[C@@H]2CCCC[C@H]2C1 c1cncc(c1)[*:1] O=C(c1ccc(Cl)c(c1)S(=O)(=O)NC[*:1])N1CC[C@@H]2CCCC[C@H]2C1
O=C(c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1)N1CC[C@@H]2CCCC[C@H]2C1 c1cncc(c1)C[*:1] O=C(c1ccc(Cl)c(c1)S(=O)(=O)N[*:1])N1CC[C@@H]2CCCC[C@H]2C1
CC(C)(C)c1ccccc1NC(=O)C(=O)NCCNC(=O)c1ccco1 O=C(N[*:1])c1ccco1 CC(C)(C)c1ccccc1NC(=O)C(=O)NCC[*:1]
CC(C)(C)c1ccccc1NC(=O)C(=O)NCCNC(=O)c1ccco1 c1coc(c1)[*:1] CC(C)(C)c1ccccc1NC(=O)C(=O)NCCNC(=O)[*:1]
CC(C)(C)c1ccccc1NC(=O)C(=O)NCCNC(=O)c1ccco1 CC(C)(C)[*:1] O=C(NCCNC(=O)c1ccco1)C(=O)Nc1ccccc1[*:1]
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)NC(=O)C(=O)N/N=C/c1ccccc1[*:1]
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 COc1ccc(cc1)[*:1] O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)N[*:1]
CCN(C(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21)c1ccccc1 Clc1ccccc1[*:1] CCN(C(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1])c1ccccc1
CCN(C(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21)c1ccccc1 CCN(C(=O)[*:1])c1ccccc1 O=C1C[C@@H](CN1c1ccccc1Cl)c1nc2ccccc2n1C[*:1]
CCN(C(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)c1ccccc1Cl)[*:1]
CCC[C@H]([NH3+])c1nccn1C CCC[*:1] Cn1ccnc1[C@@H]([NH3+])[*:1]
CCN[C@@H](Cc1ccc(Cl)cc1)[C@](C)(CC)[NH+]1CCCC1 CCN[*:1] CC[C@@](C)([C@H](Cc1ccc(Cl)cc1)[*:1])[NH+]1CCCC1
CCN[C@@H](Cc1ccc(Cl)cc1)[C@](C)(CC)[NH+]1CCCC1 Clc1ccc(cc1)[*:1] CCN[C@@H](C[*:1])[C@](C)(CC)[NH+]1CCCC1
CCNc1cc2c(nn1)CCN(C(=O)c1ccc3c(c1)OCO3)C2 CCN[*:1] O=C(c1ccc2OCOc2c1)N1CCc2nnc(cc2C1)[*:1]
CCCCCN(CCO)c1ncnc2ccc(F)cc12 CCCC[*:1] OCCN(C[*:1])c1ncnc2ccc(F)cc12
CCCCCN(CCO)c1ncnc2ccc(F)cc12 CCCCC[*:1] OCCN(c1ncnc2ccc(F)cc12)[*:1]
CCCCCN(CCO)c1ncnc2ccc(F)cc12 OCC[*:1] CCCCCN(c1ncnc2ccc(F)cc12)[*:1]
CCCCCN(CCO)c1ncnc2ccc(F)cc12 CCC[*:1] OCCN(CC[*:1])c1ncnc2ccc(F)cc12
COc1ccc(CN(C)C(=O)CSCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CN(C)C(=O)CSC[*:1]
O=C(Nc1nc(-c2ccncc2)cs1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 c1cc(ccn1)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1
O=C(Nc1nc(-c2ccncc2)cs1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(Nc1nc(cs1)-c1ccncc1)[C@@H]1CCCCN1S(=O)(=O)[*:1]
COc1nc2ccccc2cc1C[NH+](CCS(C)(=O)=O)C1CC1 C1CC1[*:1] COc1nc2ccccc2cc1C[NH+](CCS(C)(=O)=O)[*:1]
COc1nc2ccccc2cc1C[NH+](CCS(C)(=O)=O)C1CC1 CS(=O)(=O)CC[*:1] COc1nc2ccccc2cc1C[NH+](C1CC1)[*:1]
COc1nc2ccccc2cc1C[NH+](CCS(C)(=O)=O)C1CC1 CS(=O)(=O)C[*:1] COc1nc2ccccc2cc1C[NH+](C[*:1])C1CC1
COc1nc2ccccc2cc1C[NH+](CCS(C)(=O)=O)C1CC1 CS(=O)(=O)[*:1] COc1nc2ccccc2cc1C[NH+](CC[*:1])C1CC1
O=C(Nc1ccc(OC(=O)c2ccncc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Oc1ccc(cc1)NC(=O)[*:1])c1ccncc1
O=C(Nc1ccc(OC(=O)c2ccncc2)cc1)c1ccccc1 c1cc(ccn1)[*:1] O=C(Nc1ccc(cc1)OC(=O)[*:1])c1ccccc1
O=C(Cc1ccc(F)c(Br)c1)OCCCc1cccnc1 c1cncc(c1)[*:1] O=C(Cc1ccc(F)c(Br)c1)OCCC[*:1]
O=C(Cc1ccc(F)c(Br)c1)OCCCc1cccnc1 c1cncc(c1)C[*:1] O=C(Cc1ccc(F)c(Br)c1)OCC[*:1]
CCN1C[C@@H](C(=O)CSc2ncn[nH]2)c2ccccc21 c1n[nH]c(n1)[*:1] CCN1C[C@@H](C(=O)CS[*:1])c2ccccc21
CCN1C[C@@H](C(=O)CSc2ncn[nH]2)c2ccccc21 c1n[nH]c(n1)S[*:1] CCN1C[C@@H](C(=O)C[*:1])c2ccccc21
c1ccc2oc(C[NH2+]C[C@@H]3CN(C4CC4)CCO3)cc2c1 C1CC1[*:1] c1ccc2oc(cc2c1)C[NH2+]C[C@@H]1CN(CCO1)[*:1]
COc1cccn(CC(=O)N2CCC[C@H]2c2nccs2)c1=O c1csc(n1)[*:1] COc1cccn(CC(=O)N2CCC[C@@H]2[*:1])c1=O
CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[NH+](C2CCCC2)CC1 CCC[*:1] Cc1ccc(cc1)CN(C(=O)CN1CC[NH+](CC1)C1CCCC1)[*:1]
CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[NH+](C2CCCC2)CC1 Cc1ccc(cc1)C[*:1] CCCN(C(=O)CN1CC[NH+](CC1)C1CCCC1)[*:1]
CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[NH+](C2CCCC2)CC1 Cc1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)CN1CC[NH+](CC1)C1CCCC1
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(SC)c3)nc12 O=[N+]([O-])[*:1] COc1cc(cc2sc(nc12)NC(=O)c1cccc(c1)SC)[*:1]
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(SC)c3)nc12 CSc1cccc(c1)[*:1] COc1cc(cc2sc(nc12)NC(=O)[*:1])[N+](=O)[O-]
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)OCc3ccccc3)(C(C)C)C(=O)N12 CC(C)[*:1] CC(C)[C@@]1(NC(=O)OCc2ccccc2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](C[*:1])N2C1=O
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)OCc3ccccc3)(C(C)C)C(=O)N12 c1ccc(cc1)C[*:1] CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](NC(=O)O[*:1])(C(=O)N12)C(C)C
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)OCc3ccccc3)(C(C)C)C(=O)N12 O=C(N[*:1])OCc1ccccc1 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](C(=O)N12)(C(C)C)[*:1]
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)OCc3ccccc3)(C(C)C)C(=O)N12 CC(C)C[*:1] CC(C)[C@@]1(NC(=O)OCc2ccccc2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@@H](N2C1=O)[*:1]
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)OCc3ccccc3)(C(C)C)C(=O)N12 CC(C)[*:1] CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)OCc3ccccc3)(C(=O)N12)[*:1]
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)OCc3ccccc3)(C(C)C)C(=O)N12 c1ccc(cc1)[*:1] CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](NC(=O)OC[*:1])(C(=O)N12)C(C)C
CC(C)N1C(N)=[NH+]C[C@@]1(C)c1ccc(C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)[C@]1(C)C[NH+]=C(N)N1[*:1]
CC(C)N1C(N)=[NH+]C[C@@]1(C)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)N1C(N)=[NH+]C[C@@]1(C)c1ccc(cc1)[*:1]
Cc1cccc([C@@H]2CCCN2C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N1CCC[C@H]1[*:1]
O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccccc1F Fc1ccccc1[*:1] O=C(N[C@H]1CCSc2ccc(F)cc21)[*:1]
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCC[C@H](C(F)(F)F)C2)C1=O FC(F)(F)[*:1] C[C@@]1(NC(=O)N(CN2CCC[C@H](C2)[*:1])C1=O)c1ccc2CCCc2c1
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCC[C@H](C(F)(F)F)C2)C1=O c1cc2CCCc2cc1[*:1] C[C@@]1(NC(=O)N(CN2CCC[C@@H](C2)C(F)(F)F)C1=O)[*:1]
Cc1c(NC(=O)CCNS(C)(=O)=O)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)CCNS(C)(=O)=O
Cc1c(NC(=O)CCNS(C)(=O)=O)cccc1[N+](=O)[O-] CS(=O)(=O)NC[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)C[*:1]
Cc1c(NC(=O)CCNS(C)(=O)=O)cccc1[N+](=O)[O-] CS(=O)(=O)N[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)CC[*:1]
C[C@@H](O)CNC(=O)c1cccc(OCc2ncc(-c3ccccc3)o2)c1 C[C@@H](O)CNC(=O)[*:1] c1ccc(cc1)-c1cnc(COc2cccc(c2)[*:1])o1
C[C@@H](O)CNC(=O)c1cccc(OCc2ncc(-c3ccccc3)o2)c1 c1ccc(cc1)[*:1] C[C@@H](O)CNC(=O)c1cccc(c1)OCc1ncc(o1)[*:1]
CCCN(CCO)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 OCC[*:1] CCCN(C(=O)N[C@@H](C)c1ccc(cc1)C(F)(F)F)[*:1]
CCCN(CCO)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCCN(CCO)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCCN(CCO)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 CCC[*:1] C[C@H](NC(=O)N(CCO)[*:1])c1ccc(cc1)C(F)(F)F
CN(C)c1ncccc1C(=O)NC[C@H](C1CC1)[NH+](C)C C1CC1[*:1] CN(C)c1ncccc1C(=O)NC[C@H]([NH+](C)C)[*:1]
CN(C)c1ncccc1C(=O)NC[C@H](C1CC1)[NH+](C)C CN(C)[*:1] C[NH+](C)[C@H](CNC(=O)c1cccnc1[*:1])C1CC1
CC(C)[C@H](C#N)OC(=O)CSCc1ccc(Cl)cc1 CC(C)[*:1] N#C[C@H](OC(=O)CSCc1ccc(Cl)cc1)[*:1]
CCCc1nnc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cc2)s1 CCCc1nnc(s1)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCCc1nnc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cc2)s1 CC(C)[*:1] CCCc1nnc(NC(=O)c2ccc(cc2)NC(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
CCCc1nnc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cc2)s1 CCC[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)C(=O)Nc1nnc(s1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1C Cc1ccc(cc1C)[*:1] O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1C O=C([O-])[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)C(=O)[C@H]1CCCC[C@@H]1[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)OC[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)O[*:1]
CCN(C[C@H](C)C(=O)OC)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C COC(=O)[C@@H](C)[*:1] CCN(C[*:1])C(=O)c1c(C)cc(C)c(c1C)[N+](=O)[O-]
CCN(C[C@H](C)C(=O)OC)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C COC(=O)[C@@H](C)C[*:1] CCN(C(=O)c1c(C)cc(C)c(c1C)[N+](=O)[O-])[*:1]
CCN(C[C@H](C)C(=O)OC)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CCN(C[C@H](C)C(=O)OC)C(=O)c1c(C)cc(C)c(c1C)[*:1]
CCN(C[C@H](C)C(=O)OC)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C COC(=O)[*:1] CCN(C[C@H](C)[*:1])C(=O)c1c(C)cc(C)c(c1C)[N+](=O)[O-]
CC(C)(C)C(=O)N1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)[NH2+]C[C@@H](O)C[*:1]
CC(C)(C)C(=O)N1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 CC(C)(C)[*:1] O=C(N1CCC(CC1)[NH2+]C[C@@H](O)Cc1ccccc1)[*:1]
CC(C)(C)C(=O)N1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)(C)C(=O)N1CCC(CC1)[NH2+]C[C@@H](O)[*:1]
Cn1cc(C(=O)NNC(=O)CCSc2ccc(F)cc2)c(C(C)(C)C)n1 Fc1ccc(cc1)[*:1] Cn1cc(C(=O)NNC(=O)CCS[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)NNC(=O)CCSc2ccc(F)cc2)c(C(C)(C)C)n1 Fc1ccc(cc1)S[*:1] Cn1cc(C(=O)NNC(=O)CC[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)NNC(=O)CCSc2ccc(F)cc2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)NNC(=O)CCSc2ccc(F)cc2)c(n1)[*:1]
CC(=O)Oc1c(Cl)c(Cl)c2occc2c1Cl CC(=O)O[*:1] Clc1c(c(Cl)c2ccoc2c1Cl)[*:1]
NC(=O)[C@@H](c1ccccn1)c1ncc(C(F)(F)F)cc1Cl NC(=O)[*:1] FC(F)(F)c1cnc(c(Cl)c1)[C@H](c1ccccn1)[*:1]
NC(=O)[C@@H](c1ccccn1)c1ncc(C(F)(F)F)cc1Cl c1ccc(nc1)[*:1] NC(=O)[C@@H](c1ncc(cc1Cl)C(F)(F)F)[*:1]
NC(=O)[C@@H](c1ccccn1)c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] NC(=O)[C@@H](c1ccccn1)c1ncc(cc1Cl)[*:1]
O=C([O-])CCN1C(=O)[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C1=O O=C([O-])[*:1] O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C(=O)N1CC[*:1]
O=C([O-])CCN1C(=O)[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C1=O O=C([O-])C[*:1] O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C(=O)N1C[*:1]
O=C([O-])CCN1C(=O)[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C1=O O=C([O-])CC[*:1] O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C(=O)N1[*:1]
C[C@H]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)[C@H](C)C1 Brc1cccc(c1)[*:1] C[C@H]1CCN(C(=O)CNC(=O)[*:1])[C@H](C)C1
CCOCC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1 CCOC[*:1] O=C(NNC(=O)[*:1])Nc1ccc(Cl)c(Cl)c1
CCOCC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1 CCO[*:1] O=C(C[*:1])NNC(=O)Nc1ccc(Cl)c(Cl)c1
CCCc1c(N)nc([C@]2(C)CCCO2)[nH]c1=O CCC[*:1] C[C@]1(CCCO1)c1nc(N)c(c(=O)[nH]1)[*:1]
CC(=O)Oc1c2c(c[n+](C)c1C)CO[C@@H](C)OC2 CC(=O)O[*:1] Cc1c(c2CO[C@H](C)OCc2c[n+]1C)[*:1]
Cc1ccc(Oc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1 Cc1ccc(cc1)[*:1] Nc1c(ncnc1O[*:1])Nc1ccc(Cl)cn1
Cc1ccc(Oc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1 Clc1ccc(nc1)[*:1] Cc1ccc(cc1)Oc1ncnc(N[*:1])c1N
Cc1csc(CNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)n1 Cc1csc(n1)[*:1] CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NC[*:1]
Cc1csc(CNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)n1 CC(C)(C)[*:1] Cc1csc(CNC(=O)[C@@H]2CSCN2C(=O)O[*:1])n1
Cc1csc(CNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)n1 Cc1csc(C[*:1])n1 CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[*:1]
CN(C)C(=O)C1CCN(C(=O)c2nc[nH]n2)CC1 CN(C)C(=O)[*:1] O=C(c1nc[nH]n1)N1CCC(CC1)[*:1]
C[C@@H](OC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@@H](OC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)[*:1]
C[C@@H](OC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)NC1CC1 C1CC1[*:1] C[C@@H](OC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)N[*:1]
C[C@@H](OC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)NC1CC1 Clc1ccc(cc1)[*:1] C[C@@H](OC(=O)c1c[nH]nc1[*:1])C(=O)NC1CC1
O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[*:1]
O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccncc1)c1cccs1 c1csc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccncc2)N1c1nc2ccc(Cl)cc2s1
O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccncc1)c1cccs1 c1cc(ccn1)[*:1] O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1[*:1])c1cccs1
O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccncc1)c1cccs1 O=C(c1cccs1)[*:1] O=C1C([O-])=C([C@H](c2ccncc2)N1c1nc2ccc(Cl)cc2s1)[*:1]
O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccncc1)c1cccs1 Clc1ccc2nc(sc2c1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccncc1)[*:1])c1cccs1
Cc1nc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)no1 Cc1nc(no1)[*:1] C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[*:1]
Cc1nc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)no1 c1ccc(cc1)C[*:1] Cc1nc(CNC(=O)N(CC[NH+](C)C)[*:1])no1
Cc1nc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1nc(CNC(=O)N(CC[NH+](C)C)C[*:1])no1
Cc1nc(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)no1 Cc1nc(C[*:1])no1 C[NH+](C)CCN(Cc1ccccc1)C(=O)N[*:1]
O=C(OC[C@@H]1CCCCO1)c1ccccc1-c1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(OC[C@@H]1CCCCO1)c1ccccc1-c1ncc(o1)[*:1]
O=S(=O)(CC1CCC1)N1CCSC[C@H]1c1ccccc1 C1CC(C1)C[*:1] O=S(=O)(N1CCSC[C@H]1c1ccccc1)[*:1]
O=S(=O)(CC1CCC1)N1CCSC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(CC1CCC1)N1CCSC[C@@H]1[*:1]
O=S(=O)(CC1CCC1)N1CCSC[C@H]1c1ccccc1 C1CC(C1)[*:1] O=S(=O)(C[*:1])N1CCSC[C@H]1c1ccccc1
O=C(CCc1ccco1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 c1coc(c1)[*:1] O=C(CC[*:1])N(C[C@@H]1CCCO1)c1nc(cs1)-c1ccc(Cl)cc1Cl
O=C(CCc1ccco1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 c1coc(c1)C[*:1] O=C(C[*:1])N(C[C@@H]1CCCO1)c1nc(cs1)-c1ccc(Cl)cc1Cl
O=C(CCc1ccco1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 Clc1ccc(c(Cl)c1)[*:1] O=C(CCc1ccco1)N(C[C@@H]1CCCO1)c1nc(cs1)[*:1]
O=C(CCc1ccco1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 c1coc(c1)CC[*:1] O=C(N(C[C@@H]1CCCO1)c1nc(cs1)-c1ccc(Cl)cc1Cl)[*:1]
O=C(N[C@H]1CCN(C(=O)c2csc3c2CCCO3)C1)c1cccs1 c1csc(c1)[*:1] O=C(c1csc2OCCCc12)N1CC[C@@H](C1)NC(=O)[*:1]
O=C(N[C@H]1CCN(C(=O)c2csc3c2CCCO3)C1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(c1csc2OCCCc12)N1CC[C@@H](C1)[*:1]
C[C@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 C[C@H](O)[*:1] C[C@@H]([NH2+]CC(C)(C)C[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 C[C@H](O)C[*:1] C[C@@H]([NH2+]CC(C)(C)[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc(cc1)[*:1]
COc1cccc(-c2nc(CSc3nc(C)cc(N)n3)cs2)c1OC Cc1cc(N)nc(n1)[*:1] COc1cccc(-c2nc(cs2)CS[*:1])c1OC
COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O COC[*:1] COc1ccc2c(=O)c3c(=O)n(CC[*:1])c(nc3oc2c1)C1CCCCC1
COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O C1CCC(CC1)[*:1] COCCCn1c(nc2oc3cc(ccc3c(=O)c2c1=O)OC)[*:1]
COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O COCC[*:1] COc1ccc2c(=O)c3c(=O)n(C[*:1])c(nc3oc2c1)C1CCCCC1
COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O COCCC[*:1] COc1ccc2c(=O)c3c(=O)n(c(nc3oc2c1)C1CCCCC1)[*:1]
Cc1ccccc1OC1CCN(C(=O)CCCN2CCCC2=O)CC1 Cc1ccccc1O[*:1] O=C1CCCN1CCCC(=O)N1CCC(CC1)[*:1]
Cc1ccccc1OC1CCN(C(=O)CCCN2CCCC2=O)CC1 O=C1CCCN1C[*:1] Cc1ccccc1OC1CCN(CC1)C(=O)CC[*:1]
Cc1ccccc1OC1CCN(C(=O)CCCN2CCCC2=O)CC1 O=C1CCCN1[*:1] Cc1ccccc1OC1CCN(CC1)C(=O)CCC[*:1]
Cc1ccccc1OC1CCN(C(=O)CCCN2CCCC2=O)CC1 O=C1CCCN1CC[*:1] Cc1ccccc1OC1CCN(CC1)C(=O)C[*:1]
Cc1ccccc1OC1CCN(C(=O)CCCN2CCCC2=O)CC1 Cc1ccccc1[*:1] O=C1CCCN1CCCC(=O)N1CCC(CC1)O[*:1]
COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C[C@]1(O)C(=O)N(C[*:1])c2ccc(Cl)cc21
COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1 COc1ccc(cc1)[*:1] O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@]1(O)CC(=O)[*:1]
COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)C[C@]1(O)C(=O)N(c2ccc(Cl)cc21)[*:1]
COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1 COc1ccc(cc1)C(=O)[*:1] O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@]1(O)C[*:1]
Cc1cc(C)cc(OCc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)c1 Cc1cc(C)cc(c1)O[*:1] O=C(c1ccc(C[*:1])o1)N1CCN(CC1)Cc1ccccc1
Cc1cc(C)cc(OCc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)c1 Cc1cc(C)cc(c1)[*:1] O=C(c1ccc(CO[*:1])o1)N1CCN(CC1)Cc1ccccc1
Cc1cc(C)cc(OCc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)OCc1ccc(o1)C(=O)N1CCN(CC1)C[*:1]
Cc1cc(C)cc(OCc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)c1 Cc1cc(C)cc(c1)OC[*:1] O=C(c1ccc(o1)[*:1])N1CCN(CC1)Cc1ccccc1
Cc1cc(C)cc(OCc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)OCc1ccc(o1)C(=O)N1CCN(CC1)[*:1]
Cc1nn(C)c(Oc2cccc(-n3ccnc3)c2)c1[N+](=O)[O-] c1cn(cn1)[*:1] Cc1nn(C)c(Oc2cccc(c2)[*:1])c1[N+](=O)[O-]
Cc1nn(C)c(Oc2cccc(-n3ccnc3)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)c(Oc2cccc(c2)-n2ccnc2)c1[*:1]
CCC[NH+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 CCC[*:1] Cc1c(C#N)c(NC(=O)C[NH+](C)[*:1])n(c1C)C1CCCC1
CCC[NH+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 C1CCC(C1)[*:1] CCC[NH+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1[*:1]
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@@H]3c1ccccc1F Fc1ccccc1[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@H]3[*:1]
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@@H]3c1ccccc1F c1csc(n1)[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N([C@@H]3c1ccccc1F)[*:1]
CC1(C)C(C(=O)OCCNc2cccnn2)C1(C)C c1cnnc(c1)[*:1] CC1(C)C(C(=O)OCCN[*:1])C1(C)C
CC[C@@H]([NH2+]C)c1nc([C@@H]2C[NH+]3CCN2CC3)no1 CC[C@@H]([NH2+]C)[*:1] C1C[NH+]2CCN1[C@@H](C2)c1noc(n1)[*:1]
O=C(CC[C@@H]1CCCO1)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(CC[C@@H]1CCCO1)NCC(=O)N1CCN(CC1)[*:1]
CCCOC[C@@H](O)c1ccncn1 CCC[*:1] O[C@H](CO[*:1])c1ccncn1
CCCOC[C@@H](O)c1ccncn1 CCCO[*:1] O[C@H](C[*:1])c1ccncn1
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@H]1C(=O)Nc1ccccc1OC COc1ccccc1[*:1] CCOC(=O)C1=C(C)N(C(=O)C[C@H]1C(=O)N[*:1])c1ccc(C)cc1
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@H]1C(=O)Nc1ccccc1OC CCOC(=O)[*:1] COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)=C1[*:1])c1ccc(C)cc1
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@H]1C(=O)Nc1ccccc1OC Cc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N(C(=O)C[C@H]1C(=O)Nc1ccccc1OC)[*:1]
O=C(NC[C@H](O)c1ccco1)c1cc(-c2cccnc2)nc2ccccc12 c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])c1cc(nc2ccccc12)-c1cccnc1
O=C(NC[C@H](O)c1ccco1)c1cc(-c2cccnc2)nc2ccccc12 c1cncc(c1)[*:1] O=C(NC[C@H](O)c1ccco1)c1cc(nc2ccccc12)[*:1]
COc1ccccc1OCC(=O)NCC1(c2cccs2)CCCCC1 COc1ccccc1[*:1] O=C(CO[*:1])NCC1(CCCCC1)c1cccs1
COc1ccccc1OCC(=O)NCC1(c2cccs2)CCCCC1 c1csc(c1)[*:1] COc1ccccc1OCC(=O)NCC1(CCCCC1)[*:1]
C[C@H](c1ccccc1)N1C(=O)[C@@](NC(=O)c2cccs2)(C(F)(F)F)N=C1c1ccccc1 FC(F)(F)[*:1] C[C@H](c1ccccc1)N1C(=O)[C@](N=C1c1ccccc1)(NC(=O)c1cccs1)[*:1]
C[C@H](c1ccccc1)N1C(=O)[C@@](NC(=O)c2cccs2)(C(F)(F)F)N=C1c1ccccc1 c1ccc(cc1)[*:1] C[C@H](c1ccccc1)N1C(=O)[C@@](N=C1[*:1])(NC(=O)c1cccs1)C(F)(F)F
C[C@H](c1ccccc1)N1C(=O)[C@@](NC(=O)c2cccs2)(C(F)(F)F)N=C1c1ccccc1 O=C(N[*:1])c1cccs1 C[C@H](c1ccccc1)N1C(=O)[C@](N=C1c1ccccc1)(C(F)(F)F)[*:1]
C[C@H](c1ccccc1)N1C(=O)[C@@](NC(=O)c2cccs2)(C(F)(F)F)N=C1c1ccccc1 c1csc(c1)[*:1] C[C@H](c1ccccc1)N1C(=O)[C@@](N=C1c1ccccc1)(NC(=O)[*:1])C(F)(F)F
C[C@H](c1ccccc1)N1C(=O)[C@@](NC(=O)c2cccs2)(C(F)(F)F)N=C1c1ccccc1 c1ccc(cc1)[*:1] C[C@H](N1C(=O)[C@@](N=C1c1ccccc1)(NC(=O)c1cccs1)C(F)(F)F)[*:1]
C[C@H](c1ccccc1)N1C(=O)[C@@](NC(=O)c2cccs2)(C(F)(F)F)N=C1c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[C@@]1(N=C(c2ccccc2)N(C1=O)[*:1])C(F)(F)F)c1cccs1
COc1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)cc1Cl C1CC1[*:1] COc1ccc(cc1Cl)S(=O)(=O)N(C[C@@H]1CCOC1)[*:1]
CC[NH+]1CCN(CC(=O)NC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] CC[NH+]1CCN(CC1)CC(=O)NC[*:1]
CC[NH+]1CCN(CC(=O)NC[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] CC[NH+]1CCN(CC1)CC(=O)N[*:1]
CC(C)NC(=O)C[C@H](C[NH3+])N(C)Cc1[nH+]ccn1C CC(C)[*:1] CN(Cc1[nH+]ccn1C)[C@@H](C[NH3+])CC(=O)N[*:1]
CC(C)NC(=O)C[C@H](C[NH3+])N(C)Cc1[nH+]ccn1C CC(C)NC(=O)[*:1] CN(Cc1[nH+]ccn1C)[C@@H](C[NH3+])C[*:1]
C/[NH+]=C(/NC[C@@H](C)c1ccsc1)NC1CCN(c2cccc(C)[nH+]2)CC1 C[C@@H](c1ccsc1)[*:1] C/[NH+]=C(/NC[*:1])NC1CCN(CC1)c1cccc(C)[nH+]1
C/[NH+]=C(/NC[C@@H](C)c1ccsc1)NC1CCN(c2cccc(C)[nH+]2)CC1 c1cc(cs1)[*:1] C/[NH+]=C(/NC[C@@H](C)[*:1])NC1CCN(CC1)c1cccc(C)[nH+]1
C/[NH+]=C(/NC[C@@H](C)c1ccsc1)NC1CCN(c2cccc(C)[nH+]2)CC1 C[C@H](C[*:1])c1ccsc1 C/[NH+]=C(\NC1CCN(CC1)c1cccc(C)[nH+]1)N[*:1]
C/[NH+]=C(/NC[C@@H](C)c1ccsc1)NC1CCN(c2cccc(C)[nH+]2)CC1 Cc1cccc([nH+]1)[*:1] C/[NH+]=C(/NC[C@@H](C)c1ccsc1)NC1CCN(CC1)[*:1]
CC(C)(C)c1cc(NC(=O)C(=O)N2CCCC2)no1 CC(C)(C)[*:1] O=C(Nc1cc(on1)[*:1])C(=O)N1CCCC1
COCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Cl)c1 COC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(Cl)c1)c1ccc2OCCOc2c1
COCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2ccc3OCCOc3c2)[C@H]1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Cl)c1 COCC[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1cccc(Cl)c1)[*:1])c1ccc2OCCOc2c1
COCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Cl)c1 c1cc2OCCOc2cc1[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccc(Cl)c1
O=C(NCCn1cc(-c2ccncc2)c(-c2cccs2)n1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NCCn1cc(-c2ccncc2)c(n1)-c1cccs1)[*:1]
O=C(NCCn1cc(-c2ccncc2)c(-c2cccs2)n1)C1CCCCC1 O=C(N[*:1])C1CCCCC1 c1csc(c1)-c1nn(cc1-c1ccncc1)CC[*:1]
O=C(NCCn1cc(-c2ccncc2)c(-c2cccs2)n1)C1CCCCC1 c1cc(ccn1)[*:1] O=C(NCCn1cc(c(n1)-c1cccs1)[*:1])C1CCCCC1
O=C(NCCn1cc(-c2ccncc2)c(-c2cccs2)n1)C1CCCCC1 c1csc(c1)[*:1] O=C(NCCn1cc(-c2ccncc2)c(n1)[*:1])C1CCCCC1
O=C(Cn1nc(-c2cccs2)ccc1=O)N1CCOCC1 c1csc(c1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N1CCOCC1
C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)[C@@H]1C CS(=O)(=O)[*:1] C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2[*:1])[C@@H]1C
NC(=O)[C@@H]1CCN(C(=O)[C@H]2CCOC2)c2ccccc21 NC(=O)[*:1] O=C([C@H]1CCOC1)N1CC[C@H](c2ccccc21)[*:1]
NC(=O)[C@@H]1CCN(C(=O)[C@H]2CCOC2)c2ccccc21 C1C[C@@H](CO1)[*:1] NC(=O)[C@@H]1CCN(C(=O)[*:1])c2ccccc21
C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](CC)(C1=O)[*:1]
C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O C=C(C)C[*:1] CCN(C(=O)CN1C(=O)N[C@](CC)(C1=O)c1ccc(Cl)cc1)[*:1]
C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O C=C(C)[*:1] CCN(C[*:1])C(=O)CN1C(=O)N[C@](CC)(C1=O)c1ccc(Cl)cc1
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1n[nH]c(=S)n1CCC(=O)N[C@H](C)[C@H](O)[*:1]
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCn1c(n[nH]c1=S)[*:1])[C@H](O)c1ccc(F)cc1
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)cc1 O[C@H](c1ccc(F)cc1)[*:1] Cc1ccc(cc1)-c1n[nH]c(=S)n1CCC(=O)N[C@H](C)[*:1]
O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C(Cc1cc(Cl)c2OCCCOc2c1)N[*:1]
CCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2C)cc1Cl CCO[*:1] Cc1cccc(C)c1NC(=O)c1cc(Cl)c(c(Cl)c1)[*:1]
Cc1ncccc1Oc1c(C[NH2+]C2CC2)c(C)nn1C C1CC1[*:1] Cc1ncccc1Oc1c(C[NH2+][*:1])c(C)nn1C
CC[NH+]1CCN(C(=O)NCc2cccnc2-n2cncn2)CC1 c1ncn(n1)[*:1] CC[NH+]1CCN(CC1)C(=O)NCc1cccnc1[*:1]
C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(Cl)ccc1N1CCOCC1 C1CN(CCO1)[*:1] C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(Cl)ccc1[*:1]
CC[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1c(C)nn(C)c1C Clc1ccc(nc1)[*:1] CC[C@@H]([NH2+]CCO[*:1])c1c(C)nn(C)c1C
CN(C[C@H]1COCCO1)c1cc[nH+]c(C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] CN(C[C@H]1COCCO1)c1cc[nH+]c(c1)C(=O)N[*:1]
CN(C[C@H]1COCCO1)c1cc[nH+]c(C(=O)NCc2ccco2)c1 C1CO[C@H](CO1)C[*:1] CN(c1cc[nH+]c(c1)C(=O)NCc1ccco1)[*:1]
CN(C[C@H]1COCCO1)c1cc[nH+]c(C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] CN(C[C@H]1COCCO1)c1cc[nH+]c(c1)C(=O)NC[*:1]
CN(C[C@H]1COCCO1)c1cc[nH+]c(C(=O)NCc2ccco2)c1 C1CO[C@H](CO1)[*:1] CN(C[*:1])c1cc[nH+]c(c1)C(=O)NCc1ccco1
Cc1cn2c(CN(C)C(=O)[C@H](C)Cc3ccccc3)c(C)nc2s1 c1ccc(cc1)C[*:1] Cc1cn2c(CN(C)C(=O)[C@H](C)[*:1])c(C)nc2s1
Cc1cn2c(CN(C)C(=O)[C@H](C)Cc3ccccc3)c(C)nc2s1 c1ccc(cc1)[*:1] Cc1cn2c(CN(C)C(=O)[C@H](C)C[*:1])c(C)nc2s1
O=C1C[C@@H](Sc2ccc3ccccc3c2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](Sc2ccc3ccccc3c2)C(=O)N1[*:1]
COc1ccc(-c2nc(SCC(=O)[O-])[nH]c2C)cc1 O=C([O-])[*:1] COc1ccc(cc1)-c1nc([nH]c1C)SC[*:1]
COc1ccc(-c2nc(SCC(=O)[O-])[nH]c2C)cc1 O=C([O-])CS[*:1] COc1ccc(cc1)-c1nc([nH]c1C)[*:1]
COc1ccc(-c2nc(SCC(=O)[O-])[nH]c2C)cc1 O=C([O-])C[*:1] COc1ccc(cc1)-c1nc([nH]c1C)S[*:1]
NC(=O)[C@@H]1CCCCN1C(=O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] NC(=O)[C@@H]1CCCCN1C(=O)c1cccc(n1)[*:1]
NC(=O)[C@@H]1CCCCN1C(=O)c1cccc(OCC(F)F)n1 FC(F)[*:1] NC(=O)[C@@H]1CCCCN1C(=O)c1cccc(n1)OC[*:1]
NC(=O)[C@@H]1CCCCN1C(=O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] NC(=O)[C@@H]1CCCCN1C(=O)c1cccc(n1)O[*:1]
NC(=O)[C@@H]1CCCCN1C(=O)c1cccc(OCC(F)F)n1 NC(=O)[*:1] O=C(c1cccc(n1)OCC(F)F)N1CCCC[C@H]1[*:1]
Cc1cc(N2C[C@@H](C(=O)OC[C@@H]3CCCCO3)CC2=O)ccc1Br C1CC[C@@H](C[*:1])OC1 Cc1cc(ccc1Br)N1C[C@H](CC1=O)C(=O)O[*:1]
Cc1cc(N2C[C@@H](C(=O)OC[C@@H]3CCCCO3)CC2=O)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(OC[C@@H]1CCCCO1)[C@H]1CC(=O)N(C1)[*:1]
Cc1cc(N2C[C@@H](C(=O)OC[C@@H]3CCCCO3)CC2=O)ccc1Br C1CC[C@H](OC1)[*:1] Cc1cc(ccc1Br)N1C[C@H](CC1=O)C(=O)OC[*:1]
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 Fc1ccccc1[*:1] C=CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2cc(C)on2)[C@@H]1[*:1]
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 Cc1cc(no1)[*:1] C=CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1F)[*:1]
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 C=CCO[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2)[*:1])[C@@H]1c1ccccc1F
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 C=CCOc1ccc(cc1)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccc1F
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 C=CC[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2)O[*:1])[C@@H]1c1ccccc1F
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c(C)n(C)c3ccccc23)C1=O CCOC(=O)[C@@H](C)[*:1] Cc1c(/C=C2/SC(=O)N(C2=O)[*:1])c2ccccc2n1C
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c(C)n(C)c3ccccc23)C1=O CCOC(=O)[*:1] Cc1c(/C=C2/SC(=O)N(C2=O)[C@H](C)[*:1])c2ccccc2n1C
C[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)C1=CCCCC1 CC(C)(O)C[*:1] C[C@H](NC(=O)c1ccc(cc1)C[*:1])C1=CCCCC1
C[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)C1=CCCCC1 CC(C)(O)[*:1] C[C@H](NC(=O)c1ccc(cc1)CC[*:1])C1=CCCCC1
C[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)C1=CCCCC1 CC(C)(O)CC[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])C1=CCCCC1
CCn1ccnc(Nc2cccc(CC[NH+](C)C3CC3)c2)c1=O C1CC1[*:1] CCn1ccnc(Nc2cccc(c2)CC[NH+](C)[*:1])c1=O
Cc1ccccc1OC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 Cc1ccccc1[*:1] CN1C(=O)C[C@@H](C(=O)O[*:1])[C@@H]1c1cccnc1
Cc1ccccc1OC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 c1cncc(c1)[*:1] Cc1ccccc1OC(=O)[C@@H]1CC(=O)N(C)[C@@H]1[*:1]
CCCN(CC1CC1)C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)CNC(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 C1CC1C[*:1] CCCN(C(=O)NCc1ccc(cc1)C(=O)N1C[C@H](C)O[C@H](C)C1)[*:1]
CCCN(CC1CC1)C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 C1CC1[*:1] CCCN(C[*:1])C(=O)NCc1ccc(cc1)C(=O)N1C[C@H](C)O[C@H](C)C1
Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3C)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1cc(F)ccc1NC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3C)CC2)c(C)o1 Cc1cc(F)ccc1[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)N[*:1])c(C)o1
C[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)c1ccc(F)c(C)c1 CC(C)(C)[*:1] C[NH2+][C@@H](C[C@@H](C)C[*:1])c1ccc(F)c(C)c1
C[NH2+][C@@H](C[C@@H](C)CC(C)(C)C)c1ccc(F)c(C)c1 CC(C)(C)C[*:1] C[NH2+][C@@H](C[C@@H](C)[*:1])c1ccc(F)c(C)c1
C[NH+](C)[C@@H]1CC[C@H](NC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)C1 c1cnn(c1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)Nc1cc(ccc1[*:1])C(F)(F)F
C[NH+](C)[C@@H]1CC[C@H](NC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)C1 FC(F)(F)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)Nc1cc(ccc1-n1cccn1)[*:1]
COC[C@@H]1CCCCN1C(=O)[C@H]1C=C(COc2ccc(F)cc2F)N=N1 Fc1ccc(c(F)c1)[*:1] COC[C@@H]1CCCCN1C(=O)[C@H]1C=C(CO[*:1])N=N1
COC[C@@H]1CCCCN1C(=O)[C@H]1C=C(COc2ccc(F)cc2F)N=N1 COC[*:1] O=C([C@H]1C=C(COc2ccc(F)cc2F)N=N1)N1CCCC[C@H]1[*:1]
COCCCn1ccc(NC(=O)[C@H]2COc3ccc(F)cc3C2)n1 COC[*:1] O=C(Nc1ccn(CC[*:1])n1)[C@H]1COc2ccc(F)cc2C1
COCCCn1ccc(NC(=O)[C@H]2COc3ccc(F)cc3C2)n1 COCC[*:1] O=C(Nc1ccn(C[*:1])n1)[C@H]1COc2ccc(F)cc2C1
COCCCn1ccc(NC(=O)[C@H]2COc3ccc(F)cc3C2)n1 COCCC[*:1] O=C(Nc1ccn(n1)[*:1])[C@H]1COc2ccc(F)cc2C1
Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(O)c(cc1NC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-])C(C)C
Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 CC(C)[*:1] Cc1cc(O)c(cc1NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[*:1]
O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Clc1ccc(cc1)[*:1] O=C(c1c[nH]nc1[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(F)c1
O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1C[*:1]
CNC(=O)CC1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CNC(=O)CC1CCN(CC1)C(=O)CNC(=O)[*:1]
CNC(=O)CC1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 CNC(=O)[*:1] O=C(Cc1ccccc1)NCC(=O)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 CNC(=O)C[*:1] O=C(Cc1ccccc1)NCC(=O)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)CNC(=O)C[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)c1 c1cn(cn1)[*:1] Cc1ccc(c(c1)C(=O)N1CCN(CC1)C(=O)[C@H]1C[C@H]1C)[*:1]
COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)c1 COc1ccc(OC)c(c1)[*:1] O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)N[*:1]
CC(=O)N(C)Cc1nc(-c2cccc(OCc3cccnc3)c2)no1 c1cncc(c1)[*:1] CC(=O)N(C)Cc1nc(no1)-c1cccc(c1)OC[*:1]
CC(=O)N(C)Cc1nc(-c2cccc(OCc3cccnc3)c2)no1 CC(=O)N(C)C[*:1] c1cncc(c1)COc1cccc(c1)-c1noc(n1)[*:1]
CC(=O)N(C)Cc1nc(-c2cccc(OCc3cccnc3)c2)no1 c1cncc(c1)C[*:1] CC(=O)N(C)Cc1nc(no1)-c1cccc(c1)O[*:1]
CC(=O)N(C)Cc1nc(-c2cccc(OCc3cccnc3)c2)no1 CC(=O)N(C)[*:1] c1cncc(c1)COc1cccc(c1)-c1noc(C[*:1])n1
CC(=O)N(C)Cc1nc(-c2cccc(OCc3cccnc3)c2)no1 c1cncc(c1)CO[*:1] CC(=O)N(C)Cc1nc(no1)-c1cccc(c1)[*:1]
N#Cc1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)NCc1cn(nc1-c1ccncc1)[*:1]
N#Cc1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCc1cn(nc1-c1ccncc1)-c1ccccc1)N[*:1]
N#Cc1ccc(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 c1cc(ccn1)[*:1] N#Cc1ccc(cc1)NC(=O)NCc1cn(nc1[*:1])-c1ccccc1
Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1C c1cc(ccn1)[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(n1C)[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1C Cc1ccc(cc1C)[*:1] Cn1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
O=c1c2cn[nH]c2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=c1c2cn[nH]c2nc(SCc2cccc(c2)[N+](=O)[O-])n1-c1cccc(c1)[*:1]
O=c1c2cn[nH]c2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 O=[N+]([O-])[*:1] O=c1c2cn[nH]c2nc(SCc2cccc(c2)[*:1])n1-c1cccc(c1)C(F)(F)F
O=c1c2cn[nH]c2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 O=[N+]([O-])c1cccc(c1)C[*:1] O=c1c2cn[nH]c2nc(S[*:1])n1-c1cccc(c1)C(F)(F)F
O=c1c2cn[nH]c2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=c1c2cn[nH]c2nc(SC[*:1])n1-c1cccc(c1)C(F)(F)F
O=c1c2cn[nH]c2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=c1c2cn[nH]c2nc(SCc2cccc(c2)[N+](=O)[O-])n1[*:1]
Cc1ccc(C[NH+](C)CC(=O)N(C)C2CCC(C)CC2)o1 CC1CCC(CC1)[*:1] Cc1ccc(C[NH+](C)CC(=O)N(C)[*:1])o1
Cc1ccc(C[NH+](C)CC(=O)N(C)C2CCC(C)CC2)o1 Cc1ccc(C[*:1])o1 CC1CCC(CC1)N(C)C(=O)C[NH+](C)[*:1]
Cc1ccc(C[NH+](C)CC(=O)N(C)C2CCC(C)CC2)o1 Cc1ccc(o1)[*:1] CC1CCC(CC1)N(C)C(=O)C[NH+](C)C[*:1]
COC(=O)c1sccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1 COC(=O)[*:1] C[C@H]([NH2+]Cc1ccsc1[*:1])c1ccc(Cl)cc1
COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 O=C(NC1CCCCCC1)[*:1] COc1ccc(cc1S(=O)(=O)NCc1ccc(Cl)cc1)[*:1]
COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)NC[*:1])C(=O)NC1CCCCCC1
COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)NC1CCCCCC1
COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 C1CCCC(CC1)[*:1] COc1ccc(cc1S(=O)(=O)NCc1ccc(Cl)cc1)C(=O)N[*:1]
CCN(CC)c1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)cn1 COc1ccc(cc1)[*:1] CCN(CC)c1ccc(cn1)C(=O)N1C[C@@H](C[C@@H]1C)[*:1]
CCN(CC)c1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)cn1 CCN(CC)[*:1] COc1ccc(cc1)[C@H]1C[C@H](C)N(C1)C(=O)c1ccc(nc1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(C)c2)c1 COC(=O)[*:1] Cc1ccc(cc1C)C(=O)Nc1cc(ccc1C)[*:1]
CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@H](c2ccc(Cl)cc2)NC(=O)N1 Clc1ccc(cc1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OCC(F)(F)C(F)(F)F)[*:1]
CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@H](c2ccc(Cl)cc2)NC(=O)N1 FC(F)(F)C(F)(F)C[*:1] CC1NC(=O)N[C@H](C=1C(=O)O[*:1])c1ccc(Cl)cc1
CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@H](c2ccc(Cl)cc2)NC(=O)N1 FC(F)(F)C(F)(F)[*:1] CC1NC(=O)N[C@H](C=1C(=O)OC[*:1])c1ccc(Cl)cc1
CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@H](c2ccc(Cl)cc2)NC(=O)N1 FC(F)(F)[*:1] CC1NC(=O)N[C@H](C=1C(=O)OCC(F)(F)[*:1])c1ccc(Cl)cc1
Cc1ccc(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)nc1 Cc1ccc(nc1)[*:1] Cn1c([nH+]c2cc(ccc21)NC[*:1])C(C)(C)C
Cc1ccc(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)nc1 CC(C)(C)[*:1] Cc1ccc(CNc2ccc3c(c2)[nH+]c(n3C)[*:1])nc1
C=CCc1cc([C@H]([NH3+])C(=O)[O-])cc(OC)c1OCC C=CC[*:1] CCOc1c(cc(cc1[*:1])[C@H]([NH3+])C(=O)[O-])OC
C=CCc1cc([C@H]([NH3+])C(=O)[O-])cc(OC)c1OCC CCO[*:1] C=CCc1cc(cc(OC)c1[*:1])[C@H]([NH3+])C(=O)[O-]
O=C1CN(c2ccccc2)C(=O)N1[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] O=C1CN(C(=O)N1[*:1])c1ccccc1
O=C1CN(c2ccccc2)C(=O)N1[C@H]1CCOC1 c1ccc(cc1)[*:1] O=C1CN(C(=O)N1[C@H]1CCOC1)[*:1]
Cc1ccc(CSCCNS(=O)(=O)N2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NCCSC[*:1])N1CCCCC1
CC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1 CC(=O)Nc1ccc(Cl)c(c1)[*:1] O=C1c2ccccc2C(=O)N1Cc1ccc(cc1)S(=O)(=O)N[*:1]
CC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1 CC(=O)N[*:1] O=C1c2ccccc2C(=O)N1Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1Cl)[*:1]
CC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1 O=C1c2ccccc2C(=O)N1[*:1] CC(=O)Nc1ccc(Cl)c(c1)NS(=O)(=O)c1ccc(cc1)C[*:1]
Cc1ncsc1C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1ncsc1C(=O)Nc1ccccc1[*:1]
Cc1ncsc1C(=O)Nc1ccccc1C(F)(F)F Cc1ncsc1[*:1] O=C(Nc1ccccc1C(F)(F)F)[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H]2C)ccc1F C[C@H]1C[C@H]1NC(=O)[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1F)[*:1]
CCOc1ccc(CNC(=O)c2cc(=O)oc3cc(OC)ccc23)cc1 CCO[*:1] COc1ccc2c(cc(=O)oc2c1)C(=O)NCc1ccc(cc1)[*:1]
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NCC1(O)CCOCC1 OC1(CCOCC1)C[*:1] Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N[*:1]
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NCC1(O)CCOCC1 OC1(CCOCC1)[*:1] Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NC[*:1]
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NCC1(O)CCOCC1 CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1/C=C/C(=O)NCC1(O)CCOCC1
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NCC1(O)CCOCC1 CC(C)C[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)NCC1(O)CCOCC1)[*:1]
CCCOc1ccc(CNC(=O)Nc2c[nH]nc2-c2ccccn2)cc1 c1ccc(nc1)[*:1] CCCOc1ccc(cc1)CNC(=O)Nc1c[nH]nc1[*:1]
CCCOc1ccc(CNC(=O)Nc2c[nH]nc2-c2ccccn2)cc1 CCC[*:1] O=C(NCc1ccc(cc1)O[*:1])Nc1c[nH]nc1-c1ccccn1
CCCOc1ccc(CNC(=O)Nc2c[nH]nc2-c2ccccn2)cc1 CCCO[*:1] O=C(NCc1ccc(cc1)[*:1])Nc1c[nH]nc1-c1ccccn1
O=C(Nc1ccccc1OC[C@@H]1CCCO1)C1CC[NH2+]CC1 C1CO[C@@H](C1)C[*:1] O=C(Nc1ccccc1O[*:1])C1CC[NH2+]CC1
O=C(Nc1ccccc1OC[C@@H]1CCCO1)C1CC[NH2+]CC1 C1CO[C@@H](C1)CO[*:1] O=C(Nc1ccccc1[*:1])C1CC[NH2+]CC1
O=C(Nc1ccccc1OC[C@@H]1CCCO1)C1CC[NH2+]CC1 C1CO[C@@H](C1)[*:1] O=C(Nc1ccccc1OC[*:1])C1CC[NH2+]CC1
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])[C@@H]1CC(=O)N(Cc2ccccc2)C1
C[C@@H](OC(=O)Cn1nc2ccccn2c1=O)c1nccs1 c1csc(n1)[*:1] C[C@@H](OC(=O)Cn1nc2ccccn2c1=O)[*:1]
CCCC[C@@H](C)NC(=O)c1ccc(C)cc1NN CCC[*:1] Cc1ccc(C(=O)N[C@H](C)C[*:1])c(c1)NN
CCCC[C@@H](C)NC(=O)c1ccc(C)cc1NN CCCC[*:1] Cc1ccc(C(=O)N[C@H](C)[*:1])c(c1)NN
CCCC[C@@H](C)NC(=O)c1ccc(C)cc1NN CCCC[C@@H](C)[*:1] Cc1ccc(C(=O)N[*:1])c(c1)NN
C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccn2)C2CCCC2)C1 c1ccc(nc1)[*:1] C[NH+](C)[C@@H]1CCC[C@@H](C1)[NH2+][C@@H](C1CCCC1)[*:1]
C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccn2)C2CCCC2)C1 C1CCC(C1)[*:1] C[NH+](C)[C@@H]1CCC[C@@H](C1)[NH2+][C@@H](c1ccccn1)[*:1]
CC(C)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F)N[*:1]
CC(C)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 CC(C)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 FC(F)(F)[*:1] CC(C)c1ccc(cc1)NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
CC(C)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 FC(F)(F)c1ccccc1[*:1] CC(C)c1ccc(cc1)NC(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
Nc1nc(NCCCc2nc3c(s2)CCCC3)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Nc1nc(cc(n1)[*:1])NCCCc1nc2CCCCc2s1
C=CCOc1ccc(/C=C/C(=O)N2C[C@H](C)OCC2(C)C)cc1OC C=CCO[*:1] COc1cc(/C=C/C(=O)N2C[C@H](C)OCC2(C)C)ccc1[*:1]
C=CCOc1ccc(/C=C/C(=O)N2C[C@H](C)OCC2(C)C)cc1OC C=CC[*:1] COc1cc(/C=C/C(=O)N2C[C@H](C)OCC2(C)C)ccc1O[*:1]
CCC(=O)OC[C@@]12CO[C@@H](C)[C@@H](C1)C(C)=C[C@@H]2C CCC(=O)OC[*:1] CC1=C[C@H](C)[C@]2(CO[C@@H](C)[C@H]1C2)[*:1]
CCC(=O)OC[C@@]12CO[C@@H](C)[C@@H](C1)C(C)=C[C@@H]2C CCC(=O)O[*:1] CC1=C[C@H](C)[C@@]2(CO[C@@H](C)[C@H]1C2)C[*:1]
COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3Cl)c2C)c1 Clc1ccc(Cl)c(c1)[*:1] COc1cccc(c1)NC(=O)Cn1nnc(C(=O)N[*:1])c1C
COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3Cl)c2C)c1 COc1cccc(c1)[*:1] Cc1c(nnn1CC(=O)N[*:1])C(=O)Nc1cc(Cl)ccc1Cl
Cc1ccnc(NNC(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1 NC(=O)[*:1] Cc1ccnc(c1)NNC(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1ccnc(NNC(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1 Cc1ccnc(c1)[*:1] NC(=O)c1ccc(cc1Cl)NC(=O)NN[*:1]
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)n1ncnc1N2 Clc1ccc(c(Cl)c1)[*:1] O=C1C[C@@H](CC2Nc3ncnn3[C@H](C=21)[*:1])c1ccco1
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)n1ncnc1N2 c1coc(c1)[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@@H](C=21)c1ccc(Cl)cc1Cl)[*:1]
CS[C@H]1CC[C@@H](NC(=O)NCc2cccnc2OCc2ccccc2)C1 c1ccc(cc1)C[*:1] CS[C@H]1CC[C@H](C1)NC(=O)NCc1cccnc1O[*:1]
CS[C@H]1CC[C@@H](NC(=O)NCc2cccnc2OCc2ccccc2)C1 c1ccc(cc1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)NCc1cccnc1OC[*:1]
CS[C@H]1CC[C@@H](NC(=O)NCc2cccnc2OCc2ccccc2)C1 c1ccc(cc1)CO[*:1] CS[C@H]1CC[C@H](C1)NC(=O)NCc1cccnc1[*:1]
CCN(CC(C)(C)O)c1cccc([N+](=O)[O-])c1C CC(C)(O)C[*:1] CCN(c1cccc(c1C)[N+](=O)[O-])[*:1]
CCN(CC(C)(C)O)c1cccc([N+](=O)[O-])c1C CC(C)(O)[*:1] CCN(C[*:1])c1cccc(c1C)[N+](=O)[O-]
CCN(CC(C)(C)O)c1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CCN(CC(C)(C)O)c1cccc(c1C)[*:1]
COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)N1CCC(C)CC1 CC1CCN(CC1)C(=O)[*:1] COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CC[*:1]
COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)N1CCC(C)CC1 Cc1ccc(cc1)[*:1] COc1nc2c(c(C)nn2[*:1])c(C)c1CCC(=O)N1CCC(C)CC1
COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)N1CCC(C)CC1 CC1CCN(CC1)C(=O)C[*:1] COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1C[*:1]
O=C1[NH+]=c2ccc(C(=O)NCc3cccc(Cl)c3)cc2=[NH+]C1=O Clc1cccc(c1)[*:1] O=C1[NH+]=c2ccc(cc2=[NH+]C1=O)C(=O)NC[*:1]
Cn1cc[nH+]c1Cn1cnc2scc(-c3ccccc3Cl)c2c1=O Clc1ccccc1[*:1] Cn1cc[nH+]c1Cn1cnc2scc(c2c1=O)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)/C=C\c4ccc5c(c4)OCO5)CC3)[nH+]c2)no1 c1cc2OCOc2cc1[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)C=C[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)/C=C\c4ccc5c(c4)OCO5)CC3)[nH+]c2)no1 Cc1nc(no1)[*:1] O=C(/C=C\c1ccc2OCOc2c1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CCO[C@H](c3ccccc3F)C2)C1 Fc1ccccc1[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H](C)N1CCO[C@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CCO[C@H](c3ccccc3F)C2)C1 CCOC(=O)[*:1] C[C@@H](C(=O)N1CCC[C@@H](C1)[*:1])N1CCO[C@@H](C1)c1ccccc1F
C[C@@H](Sc1nnc(N)s1)C(=O)N(C)Cc1c(F)cccc1Cl Nc1nnc(S[*:1])s1 C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[*:1]
C[C@@H](Sc1nnc(N)s1)C(=O)N(C)Cc1c(F)cccc1Cl Nc1nnc(s1)[*:1] C[C@@H](S[*:1])C(=O)N(C)Cc1c(F)cccc1Cl
Cc1ccncc1NC(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 CC(C)[*:1] Cc1ccncc1NC(=O)N1CCC[C@H](C1)NC(=O)[*:1]
Cc1ccncc1NC(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 Cc1ccncc1[*:1] CC(C)C(=O)N[C@@H]1CCCN(C1)C(=O)N[*:1]
Cc1ccncc1NC(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 CC(C)C(=O)N[*:1] Cc1ccncc1NC(=O)N1CCC[C@@H](C1)[*:1]
CNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)C1 C1CCC(CC1)[*:1] CNC(=O)[C@@H]1CCCN(C1)C(=O)N[C@H]1C[C@H]1[*:1]
CNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)C1 CNC(=O)[*:1] O=C(N[C@H]1C[C@@H]1C1CCCCC1)N1CCC[C@H](C1)[*:1]
COc1cc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn23)cc(OC)c1OC Clc1ccc(O[*:1])c(Cl)c1 COc1cc(cc(OC)c1OC)-c1nnc2sc(C[*:1])nn12
COc1cc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn23)cc(OC)c1OC Clc1ccc(c(Cl)c1)[*:1] COc1cc(cc(OC)c1OC)-c1nnc2sc(CO[*:1])nn12
COc1cc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn23)cc(OC)c1OC Clc1ccc(OC[*:1])c(Cl)c1 COc1cc(cc(OC)c1OC)-c1nnc2sc(nn12)[*:1]
Cc1ccc(N(CC(=O)N2CCCC[C@H]2C)S(=O)(=O)c2c(C)nn(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCCC[C@H]1C)[*:1]
Cc1ccc(N(CC(=O)N2CCCC[C@H]2C)S(=O)(=O)c2c(C)nn(C)c2C)cc1 Cc1nn(C)c(C)c1[*:1] Cc1ccc(cc1)N(CC(=O)N1CCCC[C@H]1C)S(=O)(=O)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)c1cc2ccccc2[nH]1
C[C@@H](CCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)c1cc2ccccc2[nH]1
CC[C@]1(C)C[C@@H]([C@H](Br)C(C)C)CCO1 CC(C)[*:1] CC[C@]1(C)C[C@H](CCO1)[C@H](Br)[*:1]
CC(C)C[NH+]1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 CC(C)[*:1] O=C(Nc1cccc(c1)SC(F)F)N1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 FC(F)S[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
CC(C)C[NH+]1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 CC(C)C[*:1] O=C(Nc1cccc(c1)SC(F)F)N1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 FC(F)[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)Nc1cccc(c1)S[*:1]
O=S(=O)(NCC#CCOc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=S(=O)(NCC#CCOc1ccc(F)cc1F)c1ccc(cc1)[*:1]
O=S(=O)(NCC#CCOc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1 Fc1ccc(O[*:1])c(F)c1 O=S(=O)(NCC#CC[*:1])c1ccc(cc1)C(F)(F)F
O=S(=O)(NCC#CCOc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1 Fc1ccc(c(F)c1)[*:1] O=S(=O)(NCC#CCO[*:1])c1ccc(cc1)C(F)(F)F
C=CCOC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] C=CCOC(=O)N[C@H](Cc1ccccc1)[*:1]
C=CCOC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] C=CC[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)[O-])O[*:1]
C=CCOC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] C=CCOC(=O)N[C@H](C[*:1])C(=O)[O-]
O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccn1 C1CN(CCO1)[*:1] O=C(N/N=C/c1sc(nc1-c1ccccc1)[*:1])c1ccccn1
O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(N/N=C/c1sc(nc1-c1ccccc1)N1CCOCC1)[*:1]
O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(N/N=C/c1sc(nc1[*:1])N1CCOCC1)c1ccccn1
CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(C(N)=O)o2)C1(C)C NC(=O)[*:1] CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(o2)[*:1])C1(C)C
CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 FC(F)O[*:1] CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(cc1)[*:1]
CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 FC(F)[*:1] CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(cc1)O[*:1]
COC(=O)[C@H](CNC(=O)c1ccc(Cl)cn1)Oc1ccc(F)cc1 Clc1ccc(nc1)[*:1] COC(=O)[C@H](CNC(=O)[*:1])Oc1ccc(F)cc1
COC(=O)[C@H](CNC(=O)c1ccc(Cl)cn1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@H](CNC(=O)c1ccc(Cl)cn1)O[*:1]
COC(=O)[C@H](CNC(=O)c1ccc(Cl)cn1)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] COC(=O)[C@H](CNC(=O)c1ccc(Cl)cn1)[*:1]
COC(=O)[C@H](CNC(=O)c1ccc(Cl)cn1)Oc1ccc(F)cc1 COC(=O)[*:1] O=C(NC[C@H](Oc1ccc(F)cc1)[*:1])c1ccc(Cl)cn1
O=S(=O)(/N=C1/CCCN1)c1cccc(/N=C/c2cc(Cl)ccc2O)c1 Oc1ccc(Cl)cc1[*:1] O=S(=O)(/N=C1/CCCN1)c1cccc(c1)N=C[*:1]
O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)N1CCc2ccccc2C1 c1ccc(cc1)[*:1] O=C(COc1cc(O)c2c(=O)cc(oc2c1)[*:1])N1CCc2ccccc2C1
O=Cc1cn(Cc2ccccc2)nc1-c1cccnc1 c1cncc(c1)[*:1] O=Cc1cn(Cc2ccccc2)nc1[*:1]
O=Cc1cn(Cc2ccccc2)nc1-c1cccnc1 c1ccc(cc1)[*:1] O=Cc1cn(C[*:1])nc1-c1cccnc1
CCCNC(=O)c1cccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)c1 CCC[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)N1CCC[C@H]1Cc1ccccc1
CCCNC(=O)c1cccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)c1 CCCNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@H]1Cc1ccccc1
CCCNC(=O)c1cccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CCCNC(=O)c1cccc(c1)NC(=O)N1CCC[C@@H]1[*:1]
CCCNC(=O)c1cccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)c1 c1ccc(cc1)[*:1] CCCNC(=O)c1cccc(c1)NC(=O)N1CCC[C@H]1C[*:1]
CCN(CC(C)(C)O)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C CC(C)(C)[*:1] CCN(CC(C)(C)O)C(=O)N[C@@H](C(=O)[O-])[*:1]
CCN(CC(C)(C)O)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C CC(C)(O)[*:1] CCN(C[*:1])C(=O)N[C@@H](C(=O)[O-])C(C)(C)C
CCN(CC(C)(C)O)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C CC(C)(O)C[*:1] CCN(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)[*:1]
CCN(CC(C)(C)O)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C O=C([O-])[*:1] CCN(CC(C)(C)O)C(=O)N[C@@H](C(C)(C)C)[*:1]
O=C(NCC(F)(F)F)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 O=C(NCC(F)(F)F)[*:1] O=S(=O)(/C=C/c1ccccc1)N1CCC(CC1)[*:1]
O=C(NCC(F)(F)F)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 FC(F)(F)[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
O=C(NCC(F)(F)F)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 FC(F)(F)C[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
O=C(NCC(F)(F)F)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C(NCC(F)(F)F)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCC(F)(F)F)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCC(F)(F)F)C1CCN(CC1)S(=O)(=O)C=C[*:1]
CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccc(O)cc1 CCOC(=O)[*:1] CCOC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C([C@@H]1c1ccc(O)cc1)[*:1]
CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@@H]1[*:1]
CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccc(O)cc1 CCOC(=O)[*:1] CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C([C@H]1c1ccc(O)cc1)[*:1]
Cc1cccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(Br)cc4)cnc32)c1C Brc1ccc(cc1)[*:1] Cc1cccc(c1C)-n1ncc2c(=O)n(cnc21)CC(=O)N[*:1]
Cc1cccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(Br)cc4)cnc32)c1C Cc1cccc(c1C)[*:1] O=C(Cn1cnc2c(cnn2[*:1])c1=O)Nc1ccc(Br)cc1
CC(=O)Nc1ccc(NCc2ccccc2F)c(C(F)(F)F)c1 Fc1ccccc1[*:1] CC(=O)Nc1ccc(NC[*:1])c(c1)C(F)(F)F
CC(=O)Nc1ccc(NCc2ccccc2F)c(C(F)(F)F)c1 FC(F)(F)[*:1] CC(=O)Nc1ccc(NCc2ccccc2F)c(c1)[*:1]
CC(=O)Nc1ccc(NCc2ccccc2F)c(C(F)(F)F)c1 CC(=O)N[*:1] Fc1ccccc1CNc1ccc(cc1C(F)(F)F)[*:1]
CCN(CC)S(=O)(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 c1ccc2c(c[nH]c2c1)[*:1] CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)CC[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)[*:1]
CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccco1)[*:1]
CCN(C(=O)[C@H]1Cc2[nH+]c[nH]c2CN1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)[C@H]1Cc2[nH+]c[nH]c2CN1)[*:1]
CC1(C)CC(NC(=O)C(=O)Nc2ccc(-c3ccccc3)cc2)CC(C)(C)[NH2+]1 c1ccc(cc1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
COc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OCc1c(C)noc1C Cc1noc(C)c1[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1ccc(cc1)N1CCCC1=O
COc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OCc1c(C)noc1C Cc1noc(C)c1CO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1ccc(cc1)N1CCCC1=O
COc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OCc1c(C)noc1C Cc1noc(C)c1C[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1ccc(cc1)N1CCCC1=O
COc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OCc1c(C)noc1C O=C1CCCN1[*:1] COc1cc(ccc1OCc1c(C)noc1C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1-c1nnc(S[C@H](C(=O)N(C)C)c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1ccccc1-c1nnc(S[C@H](C(=O)N(C)C)[*:1])n1C
Cc1ccccc1-c1nnc(S[C@H](C(=O)N(C)C)c2ccccc2)n1C Cc1ccccc1[*:1] CN(C)C(=O)[C@@H](Sc1nnc(n1C)[*:1])c1ccccc1
Cc1ccccc1-c1nnc(S[C@H](C(=O)N(C)C)c2ccccc2)n1C CN(C)C(=O)[*:1] Cc1ccccc1-c1nnc(S[C@H](c2ccccc2)[*:1])n1C
O=C(NCc1csc2ccccc12)Nc1cccnc1 c1cncc(c1)[*:1] O=C(NCc1csc2ccccc12)N[*:1]
O=C(NNc1cnccn1)c1ccc(OC2CCC2)cc1Cl C1CC(C1)[*:1] O=C(NNc1cnccn1)c1ccc(cc1Cl)O[*:1]
O=C(NNc1cnccn1)c1ccc(OC2CCC2)cc1Cl c1cnc(cn1)[*:1] O=C(NN[*:1])c1ccc(cc1Cl)OC1CCC1
O=C(NNc1cnccn1)c1ccc(OC2CCC2)cc1Cl C1CC(C1)O[*:1] O=C(NNc1cnccn1)c1ccc(cc1Cl)[*:1]
COc1ccc(/C(C)=C/C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)cc1 COc1ccc(cc1)[*:1] CC(=CC(=O)OC[C@H]1CC(=O)N(C1)C1CC1)[*:1]
COc1ccc(/C(C)=C/C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)cc1 C1CC1[*:1] COc1ccc(cc1)/C(C)=C/C(=O)OC[C@H]1CC(=O)N(C1)[*:1]
CNC(=O)NC(=O)C[NH+]1CCCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] CNC(=O)NC(=O)C[NH+]1CCCN(CC1)C[*:1]
CNC(=O)NC(=O)C[NH+]1CCCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] CNC(=O)NC(=O)C[NH+]1CCCN(CC1)[*:1]
COc1ccccc1[C@H](NC(=O)/C=C/c1ccc(C)cc1C)c1noc(C)n1 Cc1nc(no1)[*:1] COc1ccccc1[C@H](NC(=O)/C=C/c1ccc(C)cc1C)[*:1]
COc1ccccc1[C@H](NC(=O)/C=C/c1ccc(C)cc1C)c1noc(C)n1 COc1ccccc1[*:1] Cc1ccc(/C=C/C(=O)N[C@H](c2noc(C)n2)[*:1])c(C)c1
COc1ccccc1[C@H](NC(=O)/C=C/c1ccc(C)cc1C)c1noc(C)n1 Cc1ccc(c(C)c1)[*:1] COc1ccccc1[C@H](NC(=O)C=C[*:1])c1noc(C)n1
Cc1ccccc1OCCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O Cc1ccccc1O[*:1] C[C@]1(NC(=O)N(CCC[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
Cc1ccccc1OCCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] Cc1ccccc1OCCCN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)[*:1]
Cc1ccccc1OCCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccccc1OCCCN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1ccccc1OCCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O Cc1ccccc1[*:1] C[C@]1(NC(=O)N(CCCO[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
Cc1ccccc1OCCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O Cc1ccccc1OC[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
CN1C[C@H](NC(=O)c2cccc(N3CCCNC3=O)c2)CCC1=O O=C1NCCCN1[*:1] CN1C[C@@H](CCC1=O)NC(=O)c1cccc(c1)[*:1]
O=C(NNC(=O)[C@@H]1C=C(c2ccccc2)N=N1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(NNC(=O)[C@@H]1C=C(N=N1)[*:1])c1ccc2OCCOc2c1
C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)[C@@H]1C O=[N+]([O-])[*:1] C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccc(cc3s2)[*:1])[C@@H]1C
COc1cc2c(cc1OC)CN(c1ncnc3scc(-c4ccc(Cl)cc4)c13)CC2 Clc1ccc(cc1)[*:1] COc1cc2CCN(Cc2cc1OC)c1ncnc2scc(c12)[*:1]
CC(C)Cc1nnc2sc([C@H](C)c3ccccc3)nn12 CC(C)C[*:1] C[C@H](c1ccccc1)c1nn2c(nnc2s1)[*:1]
CC(C)Cc1nnc2sc([C@H](C)c3ccccc3)nn12 CC(C)[*:1] C[C@H](c1ccccc1)c1nn2c(C[*:1])nnc2s1
CC(C)Cc1nnc2sc([C@H](C)c3ccccc3)nn12 c1ccc(cc1)[*:1] CC(C)Cc1nnc2sc(nn12)[C@H](C)[*:1]
CCOC(=O)c1ccn(CC)c(=O)c1C(=O)OCC CCOC(=O)[*:1] CCOC(=O)c1ccn(CC)c(=O)c1[*:1]
CCOC(=O)c1ccn(CC)c(=O)c1C(=O)OCC CCOC(=O)[*:1] CCOC(=O)c1c(ccn(CC)c1=O)[*:1]
COc1ccc(/C=C(/CC(=O)Nc2ccc3c(c2)OCO3)c2nc3ccccc3s2)cc1OC c1cc2OCOc2cc1[*:1] COc1ccc(/C=C(/CC(=O)N[*:1])c2nc3ccccc3s2)cc1OC
COc1ccc(/C=C(/CC(=O)Nc2ccc3c(c2)OCO3)c2nc3ccccc3s2)cc1OC COc1ccc(cc1OC)[*:1] O=C(CC(=C[*:1])c1nc2ccccc2s1)Nc1ccc2OCOc2c1
COc1ccc(/C=C(/CC(=O)Nc2ccc3c(c2)OCO3)c2nc3ccccc3s2)cc1OC c1ccc2sc(nc2c1)[*:1] COc1ccc(C=C(CC(=O)Nc2ccc3OCOc3c2)[*:1])cc1OC
O=C(Oc1ccccc1)N1CCC(c2cccs2)CC1 c1csc(c1)[*:1] O=C(Oc1ccccc1)N1CCC(CC1)[*:1]
O=C(Oc1ccccc1)N1CCC(c2cccs2)CC1 c1ccc(cc1)[*:1] O=C(O[*:1])N1CCC(CC1)c1cccs1
CCN1N[C@@H](C)C([C@@H]2C=NC([C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)=N2)=C1C Cc1ccc(cc1)C[*:1] CCN1N[C@@H](C)C(=C1C)[C@@H]1C=NC(=N1)[C@@H]1CC(=O)N(C1)[*:1]
CCN1N[C@@H](C)C([C@@H]2C=NC([C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)=N2)=C1C Cc1ccc(cc1)[*:1] CCN1N[C@@H](C)C(=C1C)[C@@H]1C=NC(=N1)[C@@H]1CC(=O)N(C1)C[*:1]
C[C@@H](CC(=O)[O-])NC(=O)CCCN1C(=O)CN(C)C1=O O=C([O-])[*:1] C[C@@H](C[*:1])NC(=O)CCCN1C(=O)CN(C)C1=O
C[C@@H](CC(=O)[O-])NC(=O)CCCN1C(=O)CN(C)C1=O O=C([O-])C[*:1] C[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)[*:1]
CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])CC(C)C)CCO1 CC(C)C[*:1] CC[C@@H]1CN(CCO1)C(=O)[C@@H](C[NH3+])[*:1]
CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])CC(C)C)CCO1 CC(C)[*:1] CC[C@@H]1CN(CCO1)C(=O)[C@@H](C[NH3+])C[*:1]
O=C(Nc1nc2ccc(F)cn2n1)c1ccccc1Oc1cccnc1 c1cncc(c1)O[*:1] O=C(Nc1nc2ccc(F)cn2n1)c1ccccc1[*:1]
O=C(Nc1nc2ccc(F)cn2n1)c1ccccc1Oc1cccnc1 c1cncc(c1)[*:1] O=C(Nc1nc2ccc(F)cn2n1)c1ccccc1O[*:1]
CN(C)C(=O)CN(C)C(=O)c1cccnc1Nc1ccccc1F Fc1ccccc1[*:1] CN(C)C(=O)CN(C)C(=O)c1cccnc1N[*:1]
CN(C)C(=O)CN(C)C(=O)c1cccnc1Nc1ccccc1F CN(C)C(=O)C[*:1] CN(C(=O)c1cccnc1Nc1ccccc1F)[*:1]
CN(C)C(=O)CN(C)C(=O)c1cccnc1Nc1ccccc1F Fc1ccccc1N[*:1] CN(C)C(=O)CN(C)C(=O)c1cccnc1[*:1]
CN(C)C(=O)CN(C)C(=O)c1cccnc1Nc1ccccc1F CN(C)C(=O)[*:1] CN(C[*:1])C(=O)c1cccnc1Nc1ccccc1F
C[C@@H](CCO)S[C@H]1CCC[C@@H]1C#N OCC[*:1] C[C@@H](S[C@H]1CCC[C@@H]1C#N)[*:1]
COc1ccccc1CN(C(=O)Nc1ccc(SC)cc1)C1CC1 COc1ccccc1[*:1] CSc1ccc(cc1)NC(=O)N(C[*:1])C1CC1
COc1ccccc1CN(C(=O)Nc1ccc(SC)cc1)C1CC1 CSc1ccc(cc1)[*:1] COc1ccccc1CN(C(=O)N[*:1])C1CC1
COc1ccccc1CN(C(=O)Nc1ccc(SC)cc1)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)Nc1ccc(cc1)SC)[*:1]
Nn1c(N/N=C/c2ccccc2)nnc1SCC(=O)Nc1ccccn1 c1ccc(cc1)[*:1] Nn1c(nnc1SCC(=O)Nc1ccccn1)NN=C[*:1]
Nn1c(N/N=C/c2ccccc2)nnc1SCC(=O)Nc1ccccn1 c1ccc(nc1)[*:1] Nn1c(nnc1SCC(=O)N[*:1])N/N=C/c1ccccc1
Cc1ccc(-n2c(=O)[nH]c(=O)c3sc(NC(=O)Nc4ccccc4)nc32)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1ccccc1)Nc1nc2c(s1)c(=O)[nH]c(=O)n2[*:1]
Cc1ccc(-n2c(=O)[nH]c(=O)c3sc(NC(=O)Nc4ccccc4)nc32)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1c(=O)[nH]c(=O)c2sc(nc21)NC(=O)N[*:1]
Cc1noc([C@H](OC(=O)COc2ccc(F)cc2F)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@H](OC(=O)COc1ccc(F)cc1F)[*:1]
Cc1noc([C@H](OC(=O)COc2ccc(F)cc2F)c2ccccc2)n1 Fc1ccc(c(F)c1)[*:1] Cc1noc(n1)[C@H](OC(=O)CO[*:1])c1ccccc1
Cc1noc([C@H](OC(=O)COc2ccc(F)cc2F)c2ccccc2)n1 Cc1noc(n1)[*:1] O=C(COc1ccc(F)cc1F)O[C@H](c1ccccc1)[*:1]
C[C@@H](c1ccco1)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O c1coc(c1)[*:1] C[C@@H](N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[*:1]
C[C@@H](c1ccco1)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O C[C@@H](c1ccco1)[*:1] CN(S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[*:1]
O=C(Nc1cccc(Cl)c1)c1cccc(OC(F)F)c1 FC(F)[*:1] O=C(Nc1cccc(Cl)c1)c1cccc(c1)O[*:1]
O=C(Nc1cccc(Cl)c1)c1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(Nc1cccc(Cl)c1)c1cccc(c1)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)CSc3ccccc3)ccc21 CCC[*:1] O=C(CSc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NC(=O)CSc3ccccc3)ccc21 c1ccc(cc1)SC[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)CSc3ccccc3)ccc21 c1ccc(cc1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)CS[*:1]
CCCN1C(=O)CCc2cc(NC(=O)CSc3ccccc3)ccc21 c1ccc(cc1)S[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)C[*:1]
CCn1c(=O)c(C(=O)Nc2ccc(C)cc2Cl)nc2ccccc21 Cc1ccc(c(Cl)c1)[*:1] CCn1c(=O)c(nc2ccccc21)C(=O)N[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)N[C@@H](c3ccccc3)c3cccs3)CC2)c(F)c1 c1ccc(cc1)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)CC(=O)N[C@@H](c1cccs1)[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)N[C@@H](c3ccccc3)c3cccs3)CC2)c(F)c1 c1csc(c1)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)CC(=O)N[C@@H](c1ccccc1)[*:1]
CC(=O)c1ccc(N2CCN(CC(=O)N[C@@H](c3ccccc3)c3cccs3)CC2)c(F)c1 CC(=O)c1ccc(c(F)c1)[*:1] O=C(CN1CCN(CC1)[*:1])N[C@@H](c1ccccc1)c1cccs1
CC(=O)c1ccc(N2CCN(CC(=O)N[C@@H](c3ccccc3)c3cccs3)CC2)c(F)c1 CC(=O)[*:1] O=C(CN1CCN(CC1)c1ccc(cc1F)[*:1])N[C@@H](c1ccccc1)c1cccs1
O=C1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] O=C1CCCN1Cc1ccc(c(F)c1)[*:1]
O=C1NOC[C@H]1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C1NOC[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1[*:1]
O=C1NOC[C@H]1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] O=C1NOC[C@@H]1[*:1] O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N[*:1]
Cc1cc(C(=O)Nc2ccn(C)n2)sc1/C=C/C(=O)[O-] O=C([O-])[*:1] Cc1cc(sc1C=C[*:1])C(=O)Nc1ccn(C)n1
Cc1cc(C(=O)Nc2ccn(C)n2)sc1/C=C/C(=O)[O-] Cn1ccc(n1)[*:1] Cc1cc(sc1/C=C/C(=O)[O-])C(=O)N[*:1]
CC[C@@H](C)[C@@H](C(=O)[O-])S(=O)(=O)c1ccc(OC)cc1 CC[C@@H](C)[*:1] COc1ccc(cc1)S(=O)(=O)[C@H](C(=O)[O-])[*:1]
CC[C@@H](C)[C@@H](C(=O)[O-])S(=O)(=O)c1ccc(OC)cc1 O=C([O-])[*:1] CC[C@@H](C)[C@@H](S(=O)(=O)c1ccc(cc1)OC)[*:1]
Cc1cc(C)cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C(=O)Nc1nnc(C[*:1])s1
Cc1cc(C)cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)C(=O)Nc1nnc(s1)[*:1]
C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1nc2ccccc2s1 FC(F)(F)[*:1] C[C@H](Sc1nc(nc2ccccc12)[*:1])C(=O)Nc1nc2ccccc2s1
C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] C[C@H](Sc1nc(nc2ccccc12)C(F)(F)F)C(=O)N[*:1]
CC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
CC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)cc1 CC(=O)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1[*:1]
C=CCOc1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 C=CC[*:1] O=C(Nc1ccccc1O[*:1])c1cccc(c1)N1CCCC1=O
C=CCOc1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 C=CCO[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)N1CCCC1=O
C=CCOc1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] C=CCOc1ccccc1NC(=O)c1cccc(c1)[*:1]
O=C(C[C@H](O)c1ccccc1)NC[C@@H](O)c1ccc(Cl)c(F)c1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])NC[C@@H](O)c1ccc(Cl)c(F)c1
C[C@@H]1CCCC[C@@H]1Nc1nnc(S(=O)(=O)CC(=O)NCC2CC2)s1 C1CC1[*:1] C[C@@H]1CCCC[C@@H]1Nc1nnc(s1)S(=O)(=O)CC(=O)NC[*:1]
C[C@@H]1CCCC[C@@H]1Nc1nnc(S(=O)(=O)CC(=O)NCC2CC2)s1 C1CC1C[*:1] C[C@@H]1CCCC[C@@H]1Nc1nnc(s1)S(=O)(=O)CC(=O)N[*:1]
C[C@@H]1CCCC[C@@H]1Nc1nnc(S(=O)(=O)CC(=O)NCC2CC2)s1 O=C(NCC1CC1)[*:1] C[C@@H]1CCCC[C@@H]1Nc1nnc(s1)S(=O)(=O)C[*:1]
C[C@@H]1CCCC[C@@H]1Nc1nnc(S(=O)(=O)CC(=O)NCC2CC2)s1 C[C@@H]1CCCC[C@@H]1N[*:1] O=C(CS(=O)(=O)c1nnc(s1)[*:1])NCC1CC1
C[C@@H]1CCCC[C@@H]1Nc1nnc(S(=O)(=O)CC(=O)NCC2CC2)s1 O=C(C[*:1])NCC1CC1 C[C@@H]1CCCC[C@@H]1Nc1nnc(s1)S(=O)(=O)[*:1]
O=C(Nc1ccc(F)cc1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)[C@@H]1[C@@H](C1(Cl)Cl)[*:1]
O=C(Nc1ccc(F)cc1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl Fc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl
COCCNC(=S)Nc1cccnc1 COCC[*:1] S=C(Nc1cccnc1)N[*:1]
COCCNC(=S)Nc1cccnc1 COC[*:1] S=C(NC[*:1])Nc1cccnc1
CCc1noc(CCC/C([O-])=N/S(=O)(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] CCc1noc(CCC/C([O-])=N/S(=O)(=O)[*:1])n1
CCc1noc(CCC/C([O-])=N/S(=O)(=O)c2ccccc2)n1 CCc1noc(n1)[*:1] O=S(=O)(/N=C(\[O-])CCC[*:1])c1ccccc1
Nc1ncnc2c1ncn2C(=O)N(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Nc1ncnc2c1ncn2C(=O)N(c1ccccc1)[*:1]
CC(C)[C@H](CNC(=O)[C@H]1CCC(=O)N1)N1CCOCC1 CC(C)[*:1] O=C1CC[C@@H](N1)C(=O)NC[C@H](N1CCOCC1)[*:1]
CC(C)[C@H](CNC(=O)[C@H]1CCC(=O)N1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@H](CNC(=O)[C@H]1CCC(=O)N1)[*:1]
CC(C)[C@H](CNC(=O)[C@H]1CCC(=O)N1)N1CCOCC1 O=C1CC[C@@H](N1)[*:1] CC(C)[C@H](CNC(=O)[*:1])N1CCOCC1
Cc1ccnc(NNC(=O)c2sccc2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccnc(c1)NNC(=O)c1sccc1[*:1]
Cc1ccnc(NNC(=O)c2sccc2-c2ccccc2)c1 Cc1ccnc(c1)[*:1] O=C(NN[*:1])c1sccc1-c1ccccc1
CC(C)[C@@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C(=O)[O-] CC(C)[C@@H](C(=O)[O-])[*:1] O=C(NC[*:1])[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
CC(C)[C@@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C(=O)[O-] CC(C)[*:1] O=C(NC[C@@H](C(=O)[O-])[*:1])[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
CC(C)[C@@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[*:1]
COCC[C@H](C)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 COCC[*:1] C[C@H](C(=O)Nc1cccc(c1)C(=O)N1CCOCC1)[*:1]
COCC[C@H](C)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 COC[*:1] C[C@@H](C[*:1])C(=O)Nc1cccc(c1)C(=O)N1CCOCC1
CNC(=O)CN(C)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 CNC(=O)[*:1] CN(C[*:1])C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1
CNC(=O)CN(C)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 CNC(=O)C[*:1] CN(C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1)[*:1]
CNC(=O)CN(C)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)C[*:1] CNC(=O)CN(C)C(=O)c1cc(O[*:1])c2ccccc2n1
CNC(=O)CN(C)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)[*:1] CNC(=O)CN(C)C(=O)c1cc(OC[*:1])c2ccccc2n1
CNC(=O)CN(C)C(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)CO[*:1] CNC(=O)CN(C)C(=O)c1cc(c2ccccc2n1)[*:1]
CC(C)=CC(=O)NCCC(=O)N1CCCC1 CC(C)=C[*:1] O=C(CCNC(=O)[*:1])N1CCCC1
CCCn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 c1cc2OCOc2cc1[*:1] CCCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
CCCn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 CCC[*:1] O=C1C[C@H](CN1c1ccc2OCOc2c1)c1nc2ccccc2n1[*:1]
CN(C)C(=O)c1ccc(OC(=O)c2ccc(-n3cccc3)nc2)cc1 CN(C)C(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccc(nc1)-n1cccc1
CN(C)C(=O)c1ccc(OC(=O)c2ccc(-n3cccc3)nc2)cc1 c1ccn(c1)[*:1] CN(C)C(=O)c1ccc(cc1)OC(=O)c1ccc(nc1)[*:1]
CC[C@@](C)(NC(=O)Nc1ccccc1C#N)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)Nc1ccccc1C#N)[*:1]
CCN(C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C1CC1 Brc1ccc(cc1)[*:1] CCN(C(=O)c1cc(C)n(n1)[*:1])C1CC1
CCN(C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C1CC1 C1CC1[*:1] CCN(C(=O)c1cc(C)n(n1)-c1ccc(Br)cc1)[*:1]
O=C(COc1ccccc1F)NCC1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(COc1ccccc1F)NCC1CCN(CC1)[*:1]
O=C(COc1ccccc1F)NCC1CCN(c2ncccn2)CC1 Fc1ccccc1O[*:1] O=C(C[*:1])NCC1CCN(CC1)c1ncccn1
O=C(COc1ccccc1F)NCC1CCN(c2ncccn2)CC1 Fc1ccccc1[*:1] O=C(CO[*:1])NCC1CCN(CC1)c1ncccn1
CCc1ccc([C@@H](CO)NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)cc1 CCc1ccc(cc1)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N[C@H](CO)[*:1]
O=C(CSCc1nc(Cc2ccccc2)no1)NC1CCOCC1 c1ccc(cc1)C[*:1] O=C(CSCc1nc(no1)[*:1])NC1CCOCC1
O=C(CSCc1nc(Cc2ccccc2)no1)NC1CCOCC1 C1CC(CCO1)[*:1] O=C(CSCc1nc(Cc2ccccc2)no1)N[*:1]
O=C(CSCc1nc(Cc2ccccc2)no1)NC1CCOCC1 c1ccc(cc1)[*:1] O=C(CSCc1nc(C[*:1])no1)NC1CCOCC1
O=C(CCc1ncc(-c2ccccc2F)o1)NNc1cccc(Cl)c1 Fc1ccccc1[*:1] O=C(CCc1ncc(o1)[*:1])NNc1cccc(Cl)c1
O=C(CCc1ncc(-c2ccccc2F)o1)NNc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CCc1ncc(o1)-c1ccccc1F)NN[*:1]
O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccccc1Br Brc1ccccc1[*:1] O=C(Nc1ccc(cc1)Nc1ccc(nn1)-n1cccn1)[*:1]
O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccccc1Br c1cnn(c1)[*:1] O=C(Nc1ccc(cc1)Nc1ccc(nn1)[*:1])c1ccccc1Br
CCc1ccc([C@@H](CNC(=O)Cc2nn(C)c(=O)c3ccccc23)[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] Cn1nc(CC(=O)NC[C@@H]([NH+](C)C)[*:1])c2ccccc2c1=O
COc1cc2c(cc1OC)C[NH+](CC(=O)NC(=O)NC(C)(C)C)CC2 CC(C)(C)[*:1] COc1cc2CC[NH+](CC(=O)NC(=O)N[*:1])Cc2cc1OC
C[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1nccs1 c1csc(C[*:1])n1 C[C@@H]1CCCC[C@H]1NC(=O)N(C)[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1nccs1 c1csc(n1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)N(C)C[*:1]
O=C(CCc1nncn1-c1ccccc1)NCc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(CCc1nncn1-c1ccccc1)NC[*:1]
O=C(CCc1nncn1-c1ccccc1)NCc1cc(F)ccc1F c1ccc(cc1)[*:1] O=C(CCc1nncn1[*:1])NCc1cc(F)ccc1F
O=S(=O)(NNc1ccc(Br)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NNc1ccc(Br)cc1)[*:1]
Cc1ccc(Sc2nccnc2N2CCC(C(=O)N3CCOCC3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C1CCN(CC1)c1nccnc1S[*:1])N1CCOCC1
Cc1ccc(Sc2nccnc2N2CCC(C(=O)N3CCOCC3)CC2)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)Sc1nccnc1N1CCC(CC1)[*:1]
Cc1ccc(Sc2nccnc2N2CCC(C(=O)N3CCOCC3)CC2)cc1 Cc1ccc(cc1)S[*:1] O=C(C1CCN(CC1)c1nccnc1[*:1])N1CCOCC1
COc1cccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)c1 O=C([O-])C[*:1] COc1cccc(/C=C(\c2nc3ccccc3o2)[*:1])c1
COc1cccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)c1 O=C([O-])[*:1] COc1cccc(/C=C(/C[*:1])c2nc3ccccc3o2)c1
Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C[*:1]
Cc1cc(C)n(/N=C\c2cc([N+](=O)[O-])ccc2Cl)c(=O)c1C#N O=[N+]([O-])[*:1] Cc1cc(C)n(/N=C\c2cc(ccc2Cl)[*:1])c(=O)c1C#N
CCS(=O)(=O)CCNC(=O)C1(c2cccc(C)c2)CCCC1 CCS(=O)(=O)[*:1] Cc1cccc(c1)C1(CCCC1)C(=O)NCC[*:1]
CCS(=O)(=O)CCNC(=O)C1(c2cccc(C)c2)CCCC1 CCS(=O)(=O)C[*:1] Cc1cccc(c1)C1(CCCC1)C(=O)NC[*:1]
CCS(=O)(=O)CCNC(=O)C1(c2cccc(C)c2)CCCC1 Cc1cccc(c1)[*:1] CCS(=O)(=O)CCNC(=O)C1(CCCC1)[*:1]
CCS(=O)(=O)CCNC(=O)C1(c2cccc(C)c2)CCCC1 CCS(=O)(=O)CC[*:1] Cc1cccc(c1)C1(CCCC1)C(=O)N[*:1]
N#Cc1ccc(CNC(=O)[C@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)CNC(=O)[C@H](O)[*:1]
O=S1(=O)C[C@@H]2SC(=S)[C@@H](Nc3ccccc3)[C@@H]2C1 c1ccc(cc1)[*:1] O=S1(=O)C[C@@H]2SC(=S)[C@@H](N[*:1])[C@@H]2C1
CC1(C)CN(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2)CCO1 c1ccc2c(c1)ncn2[*:1] CC1(C)CN(CCO1)C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(NC(C)=O)cc2)c1 CC(=O)N[*:1] COc1ccc(OC)c(c1)[C@H]1CCCN1C(=O)COc1ccc(cc1)[*:1]
Cn1nc(-c2ccccc2)c([C@H](O)c2ccccc2)c1Cl c1ccc(cc1)[*:1] Cn1nc(-c2ccccc2)c(c1Cl)[C@H](O)[*:1]
Cn1nc(-c2ccccc2)c([C@H](O)c2ccccc2)c1Cl c1ccc(cc1)[*:1] Cn1nc(c(c1Cl)[C@H](O)c1ccccc1)[*:1]
Cc1cc(C)c(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(C)c1 O=C(N[*:1])c1ccccc1 Cc1cc(C)c(C(=O)N2CCC[C@H](C2)C[*:1])c(C)c1
Cc1cc(C)c(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(NC[C@@H]1CCCN(C1)C(=O)[*:1])c1ccccc1
Cc1cc(C)c(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)N2CCC[C@@H](CNC(=O)[*:1])C2)c(C)c1
COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccc(Br)cc3)cs2)c1 Brc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)Nc1nc(cs1)CC(=O)N[*:1])OC
O=C([O-])c1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)N1[*:1])[NH+]1CCN(CC1)c1ccc(F)cc1
O=C([O-])c1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 O=C([O-])[*:1] O=C1C[C@@H](C(=O)N1c1ccc(cc1)[*:1])[NH+]1CCN(CC1)c1ccc(F)cc1
O=C([O-])c1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 Fc1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)N1C(=O)C[C@@H](C1=O)[NH+]1CCN(CC1)[*:1]
O=C(/C=C/c1cnn(-c2ccccc2)c1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(/C=C/c1cnn(c1)-c1ccccc1)N[*:1]
O=C(/C=C/c1cnn(-c2ccccc2)c1)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(/C=C/c1cnn(c1)[*:1])NC1CCCCC1
O=C(Sc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Sc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccccc2Cl)c1=O C1CCC(C1)[*:1] CC(C)CN(C)C(=O)c1cn(cc(C(=O)NCc2ccccc2Cl)c1=O)[*:1]
CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccccc2Cl)c1=O CC(C)CN(C)C(=O)[*:1] O=C(NCc1ccccc1Cl)c1cn(cc(c1=O)[*:1])C1CCCC1
CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccccc2Cl)c1=O Clc1ccccc1C[*:1] CC(C)CN(C)C(=O)c1cn(cc(C(=O)N[*:1])c1=O)C1CCCC1
CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccccc2Cl)c1=O CC(C)C[*:1] CN(C(=O)c1cn(cc(C(=O)NCc2ccccc2Cl)c1=O)C1CCCC1)[*:1]
CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccccc2Cl)c1=O CC(C)[*:1] CN(C[*:1])C(=O)c1cn(cc(C(=O)NCc2ccccc2Cl)c1=O)C1CCCC1
CC(C)CN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccccc2Cl)c1=O Clc1ccccc1[*:1] CC(C)CN(C)C(=O)c1cn(cc(C(=O)NC[*:1])c1=O)C1CCCC1
CC(C)(C)[C@H](NC(=O)N[C@H](CCO)c1ccccc1)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@H](NC(=O)N[C@H](CCO)c1ccccc1)[*:1]
CC(C)(C)[C@H](NC(=O)N[C@H](CCO)c1ccccc1)c1cccs1 OCC[*:1] CC(C)(C)[C@H](NC(=O)N[C@H](c1ccccc1)[*:1])c1cccs1
CC(C)(C)[C@H](NC(=O)N[C@H](CCO)c1ccccc1)c1cccs1 CC(C)(C)[*:1] O=C(N[C@H](c1cccs1)[*:1])N[C@H](CCO)c1ccccc1
CC(C)(C)[C@H](NC(=O)N[C@H](CCO)c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] CC(C)(C)[C@H](NC(=O)N[C@H](CCO)[*:1])c1cccs1
CC[C@H](C)[C@H]1C[NH2+][C@H](C)CN1C[C@@H]1CSc2ccccc21 CC[C@H](C)[*:1] C[C@@H]1CN(C[C@@H]2CSc3ccccc32)[C@H](C[NH2+]1)[*:1]
Cc1nn(C)c2c1nc(CCl)n2[C@@H](C)CCCC(C)C CC(C)[*:1] Cc1nn(C)c2c1nc(CCl)n2[C@@H](C)CCC[*:1]
Cc1nn(C)c2c1nc(CCl)n2[C@@H](C)CCCC(C)C CC(C)C[*:1] Cc1nn(C)c2c1nc(CCl)n2[C@@H](C)CC[*:1]
Cc1nn(C)c2c1nc(CCl)n2[C@@H](C)CCCC(C)C CC(C)CC[*:1] Cc1nn(C)c2c1nc(CCl)n2[C@@H](C)C[*:1]
Cc1nn(C)c2c1nc(CCl)n2[C@@H](C)CCCC(C)C CC(C)CCC[*:1] Cc1nn(C)c2c1nc(CCl)n2[C@@H](C)[*:1]
Cc1[nH]c2c(c1C(=O)N1CCCC1)CN(C(=O)Cc1ccc(F)cc1)CC2 Fc1ccc(cc1)[*:1] Cc1[nH]c2CCN(Cc2c1C(=O)N1CCCC1)C(=O)C[*:1]
Cc1[nH]c2c(c1C(=O)N1CCCC1)CN(C(=O)Cc1ccc(F)cc1)CC2 O=C(N1CCCC1)[*:1] Cc1[nH]c2CCN(Cc2c1[*:1])C(=O)Cc1ccc(F)cc1
Cc1[nH]c2c(c1C(=O)N1CCCC1)CN(C(=O)Cc1ccc(F)cc1)CC2 Fc1ccc(cc1)C[*:1] Cc1[nH]c2CCN(Cc2c1C(=O)N1CCCC1)C(=O)[*:1]
CSc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CSc1ccc(cc1)[*:1]
C[C@H](NC(=O)c1csc(C#CCCO)c1)c1ccsc1 OCCC#C[*:1] C[C@H](NC(=O)c1csc(c1)[*:1])c1ccsc1
C[C@H](NC(=O)c1csc(C#CCCO)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](NC(=O)c1csc(C#CCCO)c1)[*:1]
C[C@H](NC(=O)c1csc(C#CCCO)c1)c1ccsc1 OCC[*:1] C[C@H](NC(=O)c1csc(C#C[*:1])c1)c1ccsc1
CC[C@@](C)(NC(=O)N(C)CCO)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)N(C)CCO)[*:1]
CC[C@@](C)(NC(=O)N(C)CCO)C(=O)[O-] OCC[*:1] CC[C@@](C)(NC(=O)N(C)[*:1])C(=O)[O-]
CN(C)C(=O)c1ccc(N(C)CC(C)(C)O)nc1 CN(C)C(=O)[*:1] CN(CC(C)(C)O)c1ccc(cn1)[*:1]
CN(C)C(=O)c1ccc(N(C)CC(C)(C)O)nc1 CC(C)(O)C[*:1] CN(C)C(=O)c1ccc(nc1)N(C)[*:1]
CN(C)C(=O)c1ccc(N(C)CC(C)(C)O)nc1 CC(C)(O)[*:1] CN(C)C(=O)c1ccc(nc1)N(C)C[*:1]
C[C@@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 CN(C)c1ccc(cc1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)N1CCN(CC1)C(=O)c1ccco1
C[C@@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 CN(C)[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])C(=O)N1CCN(CC1)C(=O)c1ccco1
C[C@@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] C[C@@H](OC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCN(CC1)C(=O)[*:1]
COC(=O)C1(NC(=O)C=C2CCCCC2)CCSCC1 COC(=O)[*:1] O=C(C=C1CCCCC1)NC1(CCSCC1)[*:1]
O=C([O-])/C=C/c1cc(F)cc(COCc2ccco2)c1 c1coc(c1)C[*:1] O=C([O-])/C=C/c1cc(F)cc(c1)CO[*:1]
O=C([O-])/C=C/c1cc(F)cc(COCc2ccco2)c1 O=C([O-])C=C[*:1] Fc1cc(cc(c1)[*:1])COCc1ccco1
O=C([O-])/C=C/c1cc(F)cc(COCc2ccco2)c1 O=C([O-])[*:1] Fc1cc(C=C[*:1])cc(c1)COCc1ccco1
O=C([O-])/C=C/c1cc(F)cc(COCc2ccco2)c1 c1coc(c1)[*:1] O=C([O-])/C=C/c1cc(F)cc(c1)COC[*:1]
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1 FC(F)[*:1] C[C@@H]1CCCN(CC1)C(=O)C(=O)Nc1ccc(cc1O[*:1])OC(F)F
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1 FC(F)O[*:1] C[C@@H]1CCCN(CC1)C(=O)C(=O)Nc1ccc(cc1[*:1])OC(F)F
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1 FC(F)O[*:1] C[C@@H]1CCCN(CC1)C(=O)C(=O)Nc1ccc(cc1OC(F)F)[*:1]
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1 FC(F)[*:1] C[C@@H]1CCCN(CC1)C(=O)C(=O)Nc1ccc(cc1OC(F)F)O[*:1]
COc1cccc(NC(=O)C[NH+]2CCc3nn(C)c(=O)cc3C2)c1 COc1cccc(c1)[*:1] Cn1nc2CC[NH+](CC(=O)N[*:1])Cc2cc1=O
C[C@@H](OC(=O)Nc1ccccc1)C(=O)OC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](OC(=O)Nc1ccccc1)C(=O)O[*:1]
C[C@@H](OC(=O)Nc1ccccc1)C(=O)OC1CCCCC1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)N[*:1])C(=O)OC1CCCCC1
CN(C)c1nc(N)c([N+](=O)[O-])c(Nc2ccccc2F)n1 Fc1ccccc1[*:1] CN(C)c1nc(N)c(c(n1)N[*:1])[N+](=O)[O-]
CN(C)c1nc(N)c([N+](=O)[O-])c(Nc2ccccc2F)n1 CN(C)[*:1] Nc1nc(nc(Nc2ccccc2F)c1[N+](=O)[O-])[*:1]
CN(C)c1nc(N)c([N+](=O)[O-])c(Nc2ccccc2F)n1 O=[N+]([O-])[*:1] CN(C)c1nc(N)c(c(n1)Nc1ccccc1F)[*:1]
C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H](Oc1ccc(F)cc1Cl)C(=O)[C@H](C#N)[*:1]
O=C1CCc2ccccc2[C@H]1/C=N\c1ccccc1 c1ccc(cc1)[*:1] O=C1CCc2ccccc2[C@H]1C=N[*:1]
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(=O)c2ccccc2o1 FC(F)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)c1cc(=O)c2ccccc2o1
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(=O)c2ccccc2o1 FC(F)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1cc(=O)c2ccccc2o1
CN(C)C(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)CC1 c1ccc2oc(cc2c1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N[C@@H](c1ccccc1)[*:1]
CN(C)C(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)CC1 c1ccc(cc1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N[C@@H](c1cc2ccccc2o1)[*:1]
CCc1nn(C)cc1NC(=O)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)N1CCC[C@H]1CC[*:1]
CCc1nn(C)cc1NC(=O)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] CCc1nn(C)cc1NC(=O)N1CCC[C@H]1C[*:1]
CCc1nn(C)cc1NC(=O)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] CCc1nn(C)cc1NC(=O)N1CCC[C@@H]1[*:1]
CCc1nn(C)cc1NC(=O)N1CCC[C@H]1CCc1ccccc1 CCc1nn(C)cc1[*:1] O=C(N[*:1])N1CCC[C@H]1CCc1ccccc1
CNC(=O)[C@H](C)Sc1nnnn1-c1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(cc1)-n1nnnc1S[C@@H](C)[*:1]
CNC(=O)[C@H](C)Sc1nnnn1-c1ccc(C)cc1 CNC(=O)[C@H](C)[*:1] Cc1ccc(cc1)-n1nnnc1S[*:1]
CC(C)[C@H](Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] CC(C)[C@H](Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1)[*:1]
CC(C)[C@H](Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1)C(=O)NC(N)=O c1coc(c1)[*:1] CC(C)[C@H](Sc1nnc(N2CCC[C@@H](C)C2)n1C[*:1])C(=O)NC(N)=O
CC(C)[C@H](Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1)C(=O)NC(N)=O c1coc(c1)C[*:1] CC(C)[C@H](Sc1nnc(N2CCC[C@@H](C)C2)n1[*:1])C(=O)NC(N)=O
CC(C)[C@H](Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1)C(=O)NC(N)=O C[C@@H]1CCCN(C1)[*:1] CC(C)[C@H](Sc1nnc(n1Cc1ccco1)[*:1])C(=O)NC(N)=O
CC(C)[C@H](Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1)C(=O)NC(N)=O CC(C)[*:1] C[C@@H]1CCCN(C1)c1nnc(S[C@H](C(=O)NC(N)=O)[*:1])n1Cc1ccco1
CCSCCC(=O)NCc1ccccc1CO CCSC[*:1] O=C(C[*:1])NCc1ccccc1CO
CCSCCC(=O)NCc1ccccc1CO CCSCC[*:1] O=C(NCc1ccccc1CO)[*:1]
CCSCCC(=O)NCc1ccccc1CO CCS[*:1] O=C(CC[*:1])NCc1ccccc1CO
O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)N[C@H]1CC=CCC1 FC(F)(F)[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])N[C@H]1CC=CCC1
CCCCC[C@H](/C=C/C=O)OO CCC[*:1] O=C/C=C/[C@@H](CC[*:1])OO
CCCCC[C@H](/C=C/C=O)OO O=CC=C[*:1] CCCCC[C@H](OO)[*:1]
CCCCC[C@H](/C=C/C=O)OO CCCC[*:1] O=C/C=C/[C@@H](C[*:1])OO
COc1ccc2c(CC(=O)Oc3ccccc3C(F)(F)F)coc2c1 FC(F)(F)[*:1] COc1ccc2c(coc2c1)CC(=O)Oc1ccccc1[*:1]
CCOc1ccc2nc(N3CCC[C@@H]3C(=O)N(C)CCc3ccccn3)nc(C)c2c1 CCO[*:1] Cc1nc(nc2ccc(cc12)[*:1])N1CCC[C@@H]1C(=O)N(C)CCc1ccccn1
CCOc1ccc2nc(N3CCC[C@@H]3C(=O)N(C)CCc3ccccn3)nc(C)c2c1 c1ccc(C[*:1])nc1 CCOc1ccc2nc(nc(C)c2c1)N1CCC[C@@H]1C(=O)N(C)C[*:1]
CCOc1ccc2nc(N3CCC[C@@H]3C(=O)N(C)CCc3ccccn3)nc(C)c2c1 c1ccc(nc1)[*:1] CCOc1ccc2nc(nc(C)c2c1)N1CCC[C@@H]1C(=O)N(C)CC[*:1]
CCOc1ccc2nc(N3CCC[C@@H]3C(=O)N(C)CCc3ccccn3)nc(C)c2c1 c1ccc(CC[*:1])nc1 CCOc1ccc2nc(nc(C)c2c1)N1CCC[C@@H]1C(=O)N(C)[*:1]
CCOc1ccccc1NC(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C CCOc1ccccc1[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)N[*:1])N1CCCC1
CCOc1ccccc1NC(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C C1CCN(C1)[*:1] CCOc1ccccc1NC(=O)Nc1cc2c(cc1[*:1])n(C)c(=O)n2C
CCOc1ccccc1NC(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C CCO[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)Nc1ccccc1[*:1])N1CCCC1
C[C@@H](NCCc1nc[nH]n1)c1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] C[C@@H](NCCc1nc[nH]n1)c1cccc(c1)[*:1]
CCS[C@H]1CC[C@H](NC(=O)c2ccc(N3CCC(O)CC3)cc2)C1 OC1CCN(CC1)[*:1] CCS[C@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)[*:1]
CCS[C@H]1CC[C@H](NC(=O)c2ccc(N3CCC(O)CC3)cc2)C1 CCS[*:1] O=C(N[C@H]1CC[C@@H](C1)[*:1])c1ccc(cc1)N1CCC(O)CC1
C[C@@H]1CN(C(=O)Cc2cn3ccsc3n2)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](O1)[*:1])C(=O)Cc1cn2ccsc2n1
C[C@@H]1CN(C(=O)Cc2cn3ccsc3n2)C[C@@H](c2ccccc2)O1 c1cn2cc(nc2s1)[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)C[*:1]
C/[NH+]=C(/NCCc1c[nH]c2ccccc12)NC(C)C CC(C)[*:1] C/[NH+]=C(/NCCc1c[nH]c2ccccc12)N[*:1]
CC(C)[C@H]([NH2+]CC1(O)CCOCC1)c1cccnc1 CC(C)[*:1] OC1(CCOCC1)C[NH2+][C@H](c1cccnc1)[*:1]
CC(C)[C@H]([NH2+]CC1(O)CCOCC1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H]([NH2+]CC1(O)CCOCC1)[*:1]
O=C(Cc1cccnc1)NNC(=O)NCc1cn(-c2ccccc2)nn1 c1cncc(c1)[*:1] O=C(C[*:1])NNC(=O)NCc1cn(nn1)-c1ccccc1
O=C(Cc1cccnc1)NNC(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(Cc1cccnc1)NNC(=O)NCc1cn(nn1)[*:1]
O=C(Cc1cccnc1)NNC(=O)NCc1cn(-c2ccccc2)nn1 c1cncc(c1)C[*:1] O=C(NCc1cn(nn1)-c1ccccc1)NNC(=O)[*:1]
COc1ccc(Cl)cc1NC(=O)N1CCc2c(c(CN(C(C)=O)c3ccccc3)nn2C)C1 CC(=O)N(C[*:1])c1ccccc1 COc1ccc(Cl)cc1NC(=O)N1CCc2c(C1)c(nn2C)[*:1]
COc1ccc(Cl)cc1NC(=O)N1CCc2c(c(CN(C(C)=O)c3ccccc3)nn2C)C1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)N1CCc2c(C1)c(CN(C(C)=O)[*:1])nn2C
COc1ccc(Cl)cc1NC(=O)N1CCc2c(c(CN(C(C)=O)c3ccccc3)nn2C)C1 CC(=O)N(c1ccccc1)[*:1] COc1ccc(Cl)cc1NC(=O)N1CCc2c(C1)c(C[*:1])nn2C
COc1ccc(Cl)cc1NC(=O)N1CCc2c(c(CN(C(C)=O)c3ccccc3)nn2C)C1 COc1ccc(Cl)cc1[*:1] CC(=O)N(Cc1nn(C)c2CCN(Cc12)C(=O)N[*:1])c1ccccc1
COC(=O)[C@@]1(F)CCN(S(=O)(=O)Cc2ccccc2)C1 COC(=O)[*:1] O=S(=O)(Cc1ccccc1)N1CC[C@](F)(C1)[*:1]
COC(=O)[C@@]1(F)CCN(S(=O)(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)[C@@]1(F)CCN(C1)S(=O)(=O)C[*:1]
CN(Cc1cccnc1)C(=O)Nc1ccnn1Cc1ccccn1 c1ccc(C[*:1])nc1 CN(Cc1cccnc1)C(=O)Nc1ccnn1[*:1]
CN(Cc1cccnc1)C(=O)Nc1ccnn1Cc1ccccn1 c1ccc(nc1)[*:1] CN(Cc1cccnc1)C(=O)Nc1ccnn1C[*:1]
CN(Cc1cccnc1)C(=O)Nc1ccnn1Cc1ccccn1 c1cncc(c1)C[*:1] CN(C(=O)Nc1ccnn1Cc1ccccn1)[*:1]
CN(Cc1cccnc1)C(=O)Nc1ccnn1Cc1ccccn1 c1cncc(c1)[*:1] CN(C[*:1])C(=O)Nc1ccnn1Cc1ccccn1
N#Cc1c2n(c(=O)n(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)c1=O)CCC2 O=S(=O)(N1CCCC1)[*:1] N#Cc1c2CCCn2c(=O)n(CC(=O)Nc2cccc(c2)[*:1])c1=O
C[NH+](C)[C@H](CNC(=O)c1cc[n+]([O-])cc1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)c1cc[n+]([O-])cc1)[*:1]
O=C(CCc1ccsc1)NNc1ccccc1 c1cc(cs1)[*:1] O=C(CC[*:1])NNc1ccccc1
O=C(c1ccccc1)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 O=S(=O)(c1ccc(Cl)cc1)[*:1] O=C(c1ccccc1)N1CCN(CC1)c1oc(nc1[*:1])-c1ccco1
O=C(c1ccccc1)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(c1ccccc1)N1CCN(CC1)c1oc(nc1S(=O)(=O)[*:1])-c1ccco1
O=C(c1ccccc1)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccc(Cl)cc1)-c1ccco1)[*:1]
O=C(c1ccccc1)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 c1coc(c1)[*:1] O=C(c1ccccc1)N1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccc(Cl)cc1)[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)C1 Clc1cc(cnc1Cl)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@@H]1CCCN(C(=O)c2ccccc2OCC(=O)Nc2ccccc2F)C1 C[C@@H]1CCCN(C1)C(=O)[*:1] O=C(COc1ccccc1[*:1])Nc1ccccc1F
C[C@@H]1CCCN(C(=O)c2ccccc2OCC(=O)Nc2ccccc2F)C1 Fc1ccccc1[*:1] C[C@@H]1CCCN(C1)C(=O)c1ccccc1OCC(=O)N[*:1]
CO[C@H]1CC[C@@H]2OCCN(CC(=O)Nc3ccc(F)cc3F)[C@@H]2C1 Fc1ccc(c(F)c1)[*:1] CO[C@H]1CC[C@@H]2OCCN(CC(=O)N[*:1])[C@@H]2C1
CC(C)Nc1ccc(N)c(OC(C)(C)C)n1 CC(C)(C)O[*:1] CC(C)Nc1ccc(N)c(n1)[*:1]
CC(C)Nc1ccc(N)c(OC(C)(C)C)n1 CC(C)[*:1] CC(C)(C)Oc1nc(ccc1N)N[*:1]
CC(C)Nc1ccc(N)c(OC(C)(C)C)n1 CC(C)(C)[*:1] CC(C)Nc1ccc(N)c(n1)O[*:1]
CC(C)Nc1ccc(N)c(OC(C)(C)C)n1 CC(C)N[*:1] CC(C)(C)Oc1nc(ccc1N)[*:1]
CC(=O)Nc1ccc(-n2cnc(C(=O)N3CCCCC3)c2)nc1 CC(=O)N[*:1] O=C(c1cn(cn1)-c1ccc(cn1)[*:1])N1CCCCC1
CCOc1cc(NC(=O)/C(C#N)=C\c2ccco2)ccc1C c1coc(c1)[*:1] CCOc1cc(ccc1C)NC(=O)C(C#N)=C[*:1]
CCOc1cc(NC(=O)/C(C#N)=C\c2ccco2)ccc1C CCO[*:1] Cc1ccc(cc1[*:1])NC(=O)/C(C#N)=C\c1ccco1
O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc(Cl)cc1[*:1]
O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] O=C(Nc1ccc2c(c1)CCC(=O)N2C[*:1])c1ccc(Cl)cc1[N+](=O)[O-]
O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])c1cc(Cl)ccc1[*:1] O=C1CCc2cc(ccc2N1Cc1ccc(Cl)cc1)NC(=O)[*:1]
O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-] Clc1ccc(cc1)C[*:1] O=C(Nc1ccc2c(c1)CCC(=O)N2[*:1])c1ccc(Cl)cc1[N+](=O)[O-]
Cc1cccc(CC(=O)Nc2nc3c(cc2C#N)CCC3)c1 Cc1cccc(c1)[*:1] N#Cc1cc2CCCc2nc1NC(=O)C[*:1]
Cc1cccc(CSc2nnc(CNC(=O)c3ccc(F)cc3)o2)c1 Cc1cccc(c1)C[*:1] O=C(NCc1nnc(o1)S[*:1])c1ccc(F)cc1
Cc1cccc(CSc2nnc(CNC(=O)c3ccc(F)cc3)o2)c1 Cc1cccc(c1)[*:1] O=C(NCc1nnc(o1)SC[*:1])c1ccc(F)cc1
Cc1cccc(CSc2nnc(CNC(=O)c3ccc(F)cc3)o2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)CSc1nnc(CNC(=O)[*:1])o1
O=C(NC[C@H]1CCCO1)c1cn2c3c(cc(Br)cc3c1=O)CC2 C1CO[C@H](C1)[*:1] O=C(NC[*:1])c1cn2CCc3cc(Br)cc(c1=O)c32
O=C(NC[C@H]1CCCO1)c1cn2c3c(cc(Br)cc3c1=O)CC2 C1CO[C@H](C1)C[*:1] O=C(N[*:1])c1cn2CCc3cc(Br)cc(c1=O)c32
CS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccccc2F)c1 CS(=O)(=O)[*:1] O=C(NNC(=O)c1cc(ccc1Cl)[*:1])c1ccccc1F
CS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NNC(=O)[*:1]
N#Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])c1cc(on1)-c1ccc2OCOc2c1
C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccsc2S1 C[NH+](C)CCO[*:1] C[C@H]1C[C@@H]([NH2+]Cc2ccnc(c2)[*:1])c2ccsc2S1
O=C(c1c(O)cccc1O)N1CC=C(c2ccccc2C(F)(F)F)CC1 Oc1cccc(O)c1[*:1] O=C(N1CC=C(CC1)c1ccccc1C(F)(F)F)[*:1]
O=C(c1c(O)cccc1O)N1CC=C(c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1c(O)cccc1O)N1CC=C(CC1)c1ccccc1[*:1]
CC[C@@](C)(NC(=O)c1c[nH]c(C)cc1=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@](C)(NC(=O)c1c[nH]c(C)cc1=O)[*:1]
CCn1cnc(S(=O)(=O)NC2(C#N)CCCCCCC2)c1 CCn1cnc(c1)[*:1] N#CC1(CCCCCCC1)NS(=O)(=O)[*:1]
CC[C@@H](C)Oc1ccc([C@@H](C)[NH2+]C)cc1 CC[C@@H](C)[*:1] C[NH2+][C@H](C)c1ccc(cc1)O[*:1]
CC[C@@H](C)Oc1ccc([C@@H](C)[NH2+]C)cc1 CC[C@@H](C)O[*:1] C[NH2+][C@H](C)c1ccc(cc1)[*:1]
CCC[NH2+]C[C@H]1CCCO[C@H]1c1ccc(F)c(Br)c1 CCC[*:1] Fc1ccc(cc1Br)[C@@H]1OCCC[C@@H]1C[NH2+][*:1]
CCCC[C@H](C)n1c([C@H](C)Cl)nc2c(CCC)nn(C)c21 CCCC[C@H](C)[*:1] CCCc1nn(C)c2c1nc([C@H](C)Cl)n2[*:1]
CCCC[C@H](C)n1c([C@H](C)Cl)nc2c(CCC)nn(C)c21 C[C@H](Cl)[*:1] CCCC[C@H](C)n1c(nc2c(CCC)nn(C)c21)[*:1]
CCCC[C@H](C)n1c([C@H](C)Cl)nc2c(CCC)nn(C)c21 CCCC[*:1] CCCc1nn(C)c2c1nc([C@H](C)Cl)n2[C@@H](C)[*:1]
CCCC[C@H](C)n1c([C@H](C)Cl)nc2c(CCC)nn(C)c21 CCC[*:1] CCCc1nn(C)c2c1nc([C@H](C)Cl)n2[C@@H](C)C[*:1]
CCCC[C@H](C)n1c([C@H](C)Cl)nc2c(CCC)nn(C)c21 CCC[*:1] CCCC[C@H](C)n1c(nc2c(nn(C)c21)[*:1])[C@H](C)Cl
c1nc(N2CCC(CN3CCOCC3)CC2)c2sccc2n1 C1CN(CCO1)C[*:1] c1nc(c2sccc2n1)N1CCC(CC1)[*:1]
c1nc(N2CCC(CN3CCOCC3)CC2)c2sccc2n1 C1CN(CCO1)[*:1] c1nc(c2sccc2n1)N1CCC(CC1)C[*:1]
O=Cc1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc12 O=C([O-])[*:1] O=Cc1c(ccc2ccccc12)OCc1ccc(cc1)[*:1]
COCCN(CC(C)C)S(=O)(=O)c1cccc(Br)c1 COC[*:1] CC(C)CN(C[*:1])S(=O)(=O)c1cccc(Br)c1
COCCN(CC(C)C)S(=O)(=O)c1cccc(Br)c1 COCC[*:1] CC(C)CN(S(=O)(=O)c1cccc(Br)c1)[*:1]
COCCN(CC(C)C)S(=O)(=O)c1cccc(Br)c1 CC(C)[*:1] COCCN(C[*:1])S(=O)(=O)c1cccc(Br)c1
COCCN(CC(C)C)S(=O)(=O)c1cccc(Br)c1 CC(C)C[*:1] COCCN(S(=O)(=O)c1cccc(Br)c1)[*:1]
COc1ccc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 COc1ccc(cc1)[*:1] Cn1ncc2c(ncnc21)N1CCN(CC1)C(=O)[*:1]
CCCc1nc(C(=O)Nc2ccc3ccccc3c2)n[nH]1 CCC[*:1] O=C(Nc1ccc2ccccc2c1)c1n[nH]c(n1)[*:1]
COc1ccc([C@H](CNS(=O)(=O)c2cccc(F)c2)C2=c3ccccc3=[NH+]C2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(NC[C@H](C1C[NH+]=c2ccccc2=1)[*:1])c1cccc(F)c1
COc1ccc([C@H](CNS(=O)(=O)c2cccc(F)c2)C2=c3ccccc3=[NH+]C2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)[C@H](CNS(=O)(=O)[*:1])C1C[NH+]=c2ccccc2=1
C=CCn1/c(=N/C(=O)c2sc(C)nc2C)sc2cc(C)c(C)cc21 C=CC[*:1] Cc1nc(C)c(s1)C(=O)/N=c1\sc2cc(C)c(C)cc2n1[*:1]
C=CCn1/c(=N/C(=O)c2sc(C)nc2C)sc2cc(C)c(C)cc21 Cc1nc(C)c(s1)[*:1] C=CCn1/c(=N/C(=O)[*:1])sc2cc(C)c(C)cc21
CSc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)cn1 CSc1ccc(cn1)[*:1] CC(=O)N1CCCc2cc(ccc21)NC(=O)[*:1]
O=C(CCc1ccccc1)Nc1nnc(-c2cc3ccccc3o2)o1 c1ccc(cc1)C[*:1] O=C(C[*:1])Nc1nnc(o1)-c1cc2ccccc2o1
O=C(CCc1ccccc1)Nc1nnc(-c2cc3ccccc3o2)o1 c1ccc(cc1)CC[*:1] O=C(Nc1nnc(o1)-c1cc2ccccc2o1)[*:1]
O=C(CCc1ccccc1)Nc1nnc(-c2cc3ccccc3o2)o1 c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1nnc(o1)-c1cc2ccccc2o1
COCCNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 COCC[*:1] CC1(C)CCc2c(cc(OCC(=O)N[*:1])c3c4CCCc4c(=O)oc23)O1
COCCNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 COCCNC(=O)[*:1] CC1(C)CCc2c(cc(OC[*:1])c3c4CCCc4c(=O)oc23)O1
COCCNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 COC[*:1] CC1(C)CCc2c(cc(OCC(=O)NC[*:1])c3c4CCCc4c(=O)oc23)O1
COCCNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 COCCNC(=O)CO[*:1] CC1(C)CCc2c(cc(c3c4CCCc4c(=O)oc23)[*:1])O1
COCCNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 COCCNC(=O)C[*:1] CC1(C)CCc2c(cc(O[*:1])c3c4CCCc4c(=O)oc23)O1
O=C(NCc1csc(=O)[nH]1)c1cc2cccc(Cl)c2o1 O=c1[nH]c(cs1)[*:1] O=C(NC[*:1])c1cc2cccc(Cl)c2o1
CCC[C@@](C)([NH3+])c1nc([C@H]2CSCCS2)no1 CCC[*:1] C[C@@]([NH3+])(c1nc(no1)[C@H]1CSCCS1)[*:1]
CN(CCC(N)=S)C(=O)CC[NH+]1CCSCC1 NC(=S)CC[*:1] CN(C(=O)CC[NH+]1CCSCC1)[*:1]
CN(CCC(N)=S)C(=O)CC[NH+]1CCSCC1 NC(=S)[*:1] CN(CC[*:1])C(=O)CC[NH+]1CCSCC1
CN(CCC(N)=S)C(=O)CC[NH+]1CCSCC1 NC(=S)C[*:1] CN(C[*:1])C(=O)CC[NH+]1CCSCC1
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2F)C1 Fc1ccccc1[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)CCNS(=O)(=O)[*:1]
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCc1cccs1 c1csc(c1)C[*:1] C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CC[*:1]
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCCc1cccs1 c1csc(c1)[*:1] C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCC[*:1]
N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] N#C/C(=C\c1cccc(c1)NC(=O)c1ccccc1Cl)C(=O)NC[*:1]
N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)NCCc1ccccc1 O=C(N[*:1])c1ccccc1Cl N#C/C(=C\c1cccc(c1)[*:1])C(=O)NCCc1ccccc1
N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)NCCc1ccccc1 Clc1ccccc1[*:1] N#C/C(=C\c1cccc(c1)NC(=O)[*:1])C(=O)NCCc1ccccc1
N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] N#C/C(=C\c1cccc(c1)NC(=O)c1ccccc1Cl)C(=O)N[*:1]
N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1cccc(c1)NC(=O)c1ccccc1Cl)C(=O)NCC[*:1]
CO[C@H](CNC(=O)c1cc(C(C)(C)C)on1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)c1cc(on1)C(C)(C)C)[*:1]
CO[C@H](CNC(=O)c1cc(C(C)(C)C)on1)c1ccc(F)cc1 CC(C)(C)[*:1] CO[C@H](CNC(=O)c1cc(on1)[*:1])c1ccc(F)cc1
Cc1cccc(CNCCc2ncnn2C)c1C Cn1ncnc1[*:1] Cc1cccc(CNCC[*:1])c1C
O=C1NC[C@@H](CSc2ccnc(C(=O)[O-])c2)O1 O=C([O-])[*:1] O=C1NC[C@@H](CSc2ccnc(c2)[*:1])O1
Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2nccs2)c2ccccc21 O=C(Nc1nccs1)[*:1] Cc1ccccc1Cn1cc(c2ccccc21)S(=O)(=O)C[*:1]
Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2nccs2)c2ccccc21 O=C(C[*:1])Nc1nccs1 Cc1ccccc1Cn1cc(c2ccccc21)S(=O)(=O)[*:1]
Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2nccs2)c2ccccc21 Cc1ccccc1C[*:1] O=C(CS(=O)(=O)c1cn(c2ccccc12)[*:1])Nc1nccs1
Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2nccs2)c2ccccc21 Cc1ccccc1[*:1] O=C(CS(=O)(=O)c1cn(C[*:1])c2ccccc12)Nc1nccs1
Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2nccs2)c2ccccc21 c1csc(n1)[*:1] Cc1ccccc1Cn1cc(c2ccccc21)S(=O)(=O)CC(=O)N[*:1]
CC(C)[NH2+]CCCC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)[NH2+]CCCC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1[*:1]
CC(C)[NH2+]CCCC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] CC(C)[NH2+]CCC[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)[*:1]
CC(C)[NH2+]CCCC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] CC(C)[NH2+]C[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)CC[*:1]
CC(C)[NH2+]CCCC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] CC(C)[NH2+][*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)CCC[*:1]
CC(C)[NH2+]CCCC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)CCC[NH2+][*:1]
CC(C)[NH2+]CCCC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] CC(C)[NH2+]CC[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)C[*:1]
Cc1cc(CN(CC(F)F)C2CC2)ccc1F FC(F)[*:1] Cc1cc(ccc1F)CN(C[*:1])C1CC1
Cc1cc(CN(CC(F)F)C2CC2)ccc1F FC(F)C[*:1] Cc1cc(ccc1F)CN(C1CC1)[*:1]
Cc1cc(CN(CC(F)F)C2CC2)ccc1F C1CC1[*:1] Cc1cc(ccc1F)CN(CC(F)F)[*:1]
CN(CCC(=O)OC(C)(C)C)C(=O)Nc1cncc2ccccc12 CC(C)(C)OC(=O)[*:1] CN(CC[*:1])C(=O)Nc1cncc2ccccc12
CN(CCC(=O)OC(C)(C)C)C(=O)Nc1cncc2ccccc12 CC(C)(C)OC(=O)C[*:1] CN(C[*:1])C(=O)Nc1cncc2ccccc12
CN(CCC(=O)OC(C)(C)C)C(=O)Nc1cncc2ccccc12 CC(C)(C)[*:1] CN(CCC(=O)O[*:1])C(=O)Nc1cncc2ccccc12
Cn1nncc1CN1CCO[C@@]2(CCc3ccccc32)C1 Cn1nncc1C[*:1] c1ccc2c(c1)CC[C@]21CN(CCO1)[*:1]
Cn1nncc1CN1CCO[C@@]2(CCc3ccccc32)C1 Cn1nncc1[*:1] c1ccc2c(c1)CC[C@]21CN(CCO1)C[*:1]
c1ccc(-c2cnc(CSc3nnnn3C3CCCCC3)o2)cc1 C1CCC(CC1)[*:1] c1ccc(cc1)-c1cnc(CSc2nnnn2[*:1])o1
c1ccc(-c2cnc(CSc3nnnn3C3CCCCC3)o2)cc1 c1ccc(cc1)[*:1] c1nc(CSc2nnnn2C2CCCCC2)oc1[*:1]
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1 O=[N+]([O-])[*:1] COc1cc(ccc1S(=O)(=O)Nc1ccccc1)[*:1]
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1S(=O)(=O)N[*:1])[N+](=O)[O-]
C[C@@H](C(N)=O)[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 NC(=O)[*:1] C[C@@H]([NH+]1CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F)[*:1]
C[C@@H](C(N)=O)[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] C[C@@H](C(N)=O)[NH+]1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CONC(=O)c1sc(NC(=O)C(C)(C)C)cc1C CONC(=O)[*:1] Cc1cc(NC(=O)C(C)(C)C)sc1[*:1]
CONC(=O)c1sc(NC(=O)C(C)(C)C)cc1C CC(C)(C)[*:1] CONC(=O)c1sc(cc1C)NC(=O)[*:1]
CC[NH2+][C@H](c1cccc(Cl)c1)[C@@H]1CCOC2(CCCC2)C1 Clc1cccc(c1)[*:1] CC[NH2+][C@H]([C@@H]1CCOC2(CCCC2)C1)[*:1]
COc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(C)cc2C)cc1Cl Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@@H](C)S(=O)(=O)[*:1]
Cc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)[C@@H]3C=C[C@H]([C@@H]4C=CN=N4)O3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)[C@@H]1C=C[C@@H](O1)[C@@H]1C=CN=N1
Cc1ccc(-c2ncco2)cc1NC(=O)NCCc1nnc2n1CCC2 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)NCCc1nnc2CCCn21)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)NCCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] Cc1ccc(cc1NC(=O)NCC[*:1])-c1ncco1
O=C(Nc1ccc(F)cc1F)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ClC(Cl)=C(Cl)C[*:1] O=C(Nc1ccc(F)cc1F)[C@@H]1CC=CC[C@H]1C(=O)O[*:1]
O=C(Nc1ccc(F)cc1F)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ClC(Cl)=C(Cl)[*:1] O=C(Nc1ccc(F)cc1F)[C@@H]1CC=CC[C@H]1C(=O)OC[*:1]
O=C(Nc1ccc(F)cc1F)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl
CNC(=O)CC1CCN(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)CC1 CNC(=O)[*:1] C[C@H](NC(=O)N1CCC(CC1)C[*:1])c1ccc(cc1)C(C)(C)C
CNC(=O)CC1CCN(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CNC(=O)CC1CCN(CC1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CNC(=O)CC1CCN(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)CC1 CNC(=O)C[*:1] C[C@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(cc1)C(C)(C)C
Cc1nc(-c2c[nH]c(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cs1 c1ccc(cc1)C[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N1CCN(CC1)[*:1]
Cc1nc(-c2c[nH]c(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cs1 Cc1nc(cs1)[*:1] O=C(c1cc(c[nH]1)[*:1])N1CCN(CC1)Cc1ccccc1
Cc1nc(-c2c[nH]c(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N1CCN(CC1)C[*:1]
C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)c1csc(-c2ccco2)n1 c1coc(c1)[*:1] C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)c1csc(n1)[*:1]
O=[S@](Cc1ncn(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] O=[S@](Cc1ncn(n1)[*:1])c1ccc(Cl)c(Cl)c1
CN(Cc1cccs1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 c1csc(c1)[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(C1)[C@H]1CCS(=O)(=O)C1
CN(Cc1cccs1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@@H](C1)[*:1] CN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CN(Cc1cccs1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 c1csc(c1)C[*:1] CN(C(=O)[C@H]1CC(=O)N(C1)[C@H]1CCS(=O)(=O)C1)[*:1]
COc1cccc(CSC2=NC(=O)[C@@H]3SC(=S)N(c4ccc(Cl)cc4)C3=N2)c1 COc1cccc(c1)[*:1] O=C1N=C(N=C2[C@H]1SC(=S)N2c1ccc(Cl)cc1)SC[*:1]
COc1cccc(CSC2=NC(=O)[C@@H]3SC(=S)N(c4ccc(Cl)cc4)C3=N2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CSC1=NC(=O)[C@@H]2SC(=S)N(C2=N1)[*:1]
COc1cccc(CSC2=NC(=O)[C@@H]3SC(=S)N(c4ccc(Cl)cc4)C3=N2)c1 COc1cccc(c1)C[*:1] O=C1N=C(N=C2[C@H]1SC(=S)N2c1ccc(Cl)cc1)S[*:1]
CN1CCN(S(=O)(=O)c2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)nc2)CC1 c1csc(c1)[*:1] CN1CCN(CC1)S(=O)(=O)c1ccc(nc1)N1CCN(CC1)S(=O)(=O)[*:1]
CN1CCN(S(=O)(=O)c2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)nc2)CC1 CN1CCN(CC1)S(=O)(=O)[*:1] O=S(=O)(c1cccs1)N1CCN(CC1)c1ccc(cn1)[*:1]
COc1cc(C[C@H](C#N)C(=O)Nc2cc(C)ccc2C)ccc1O Cc1ccc(C)c(c1)[*:1] COc1cc(ccc1O)C[C@H](C#N)C(=O)N[*:1]
O=C(Cc1c(F)cccc1F)N(CC(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1c(F)cccc1F)N(CC(F)(F)F)[*:1]
O=C(Cc1c(F)cccc1F)N(CC(F)(F)F)c1ccccc1 FC(F)(F)[*:1] O=C(Cc1c(F)cccc1F)N(C[*:1])c1ccccc1
O=C(Cc1c(F)cccc1F)N(CC(F)(F)F)c1ccccc1 FC(F)(F)C[*:1] O=C(Cc1c(F)cccc1F)N(c1ccccc1)[*:1]
Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1oc2nc[nH]c(=O)c2c1C(=O)N[*:1]
COc1ccc(CN(Cc2cc3cc4c(cc3nc2Cl)OCO4)C(=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)CN(Cc1cc2cc3OCOc3cc2nc1Cl)C(=O)[*:1]
COc1ccc(CN(Cc2cc3cc4c(cc3nc2Cl)OCO4)C(=O)c2ccccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N(Cc1cc2cc3OCOc3cc2nc1Cl)C[*:1]
COc1ccc(CN(Cc2cc3cc4c(cc3nc2Cl)OCO4)C(=O)c2ccccc2C)cc1 COc1ccc(cc1)C[*:1] Cc1ccccc1C(=O)N(Cc1cc2cc3OCOc3cc2nc1Cl)[*:1]
C[NH+](C)Cc1cccc(CNC(=O)NC[C@H](O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)NC[C@H](O)[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1ccccc1[*:1]
C[C@H](CNC(=O)C1(c2ccccc2)CCC1)c1ccsc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)C1(CCC1)[*:1])c1ccsc1
C[C@H](CNC(=O)C1(c2ccccc2)CCC1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)C1(CCC1)c1ccccc1)[*:1]
C[C@H](C#N)[S@](=O)c1cccc(F)c1 C[C@H](C#N)[*:1] O=[S@](c1cccc(F)c1)[*:1]
CN1C(=O)c2cnc3c(c(-c4ccc(Cl)cc4)nn3-c3ccccc3)c2C1=O Clc1ccc(cc1)[*:1] CN1C(=O)c2cnc3c(c(nn3-c3ccccc3)[*:1])c2C1=O
CN1C(=O)c2cnc3c(c(-c4ccc(Cl)cc4)nn3-c3ccccc3)c2C1=O c1ccc(cc1)[*:1] CN1C(=O)c2cnc3c(c(nn3[*:1])-c3ccc(Cl)cc3)c2C1=O
Cc1cnccc1CN(C)c1nc2nonc2nc1N1CCSCC1 Cc1cnccc1[*:1] CN(C[*:1])c1nc2nonc2nc1N1CCSCC1
Cc1cnccc1CN(C)c1nc2nonc2nc1N1CCSCC1 C1CN(CCS1)[*:1] Cc1cnccc1CN(C)c1nc2nonc2nc1[*:1]
Cc1cnccc1CN(C)c1nc2nonc2nc1N1CCSCC1 Cc1cnccc1C[*:1] CN(c1nc2nonc2nc1N1CCSCC1)[*:1]
Cc1ccc(CC[NH2+]C2CCN(c3ccc(C(=O)N4CCC[C@H](O)C4)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc(cc1)N1CCC(CC1)[NH2+]CC[*:1])N1CCC[C@H](O)C1
Cc1ccc(CC[NH2+]C2CCN(c3ccc(C(=O)N4CCC[C@H](O)C4)cc3)CC2)cc1 Cc1ccc(cc1)CC[*:1] O=C(c1ccc(cc1)N1CCC(CC1)[NH2+][*:1])N1CCC[C@H](O)C1
Cc1ccc(CC[NH2+]C2CCN(c3ccc(C(=O)N4CCC[C@H](O)C4)cc3)CC2)cc1 O=C(N1CCC[C@H](O)C1)[*:1] Cc1ccc(cc1)CC[NH2+]C1CCN(CC1)c1ccc(cc1)[*:1]
Cc1ccc(CC[NH2+]C2CCN(c3ccc(C(=O)N4CCC[C@H](O)C4)cc3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(c1ccc(cc1)N1CCC(CC1)[NH2+]C[*:1])N1CCC[C@H](O)C1
Cc1[nH]nc(C(N)=O)c1NC(=O)Cc1ccc2c(c1)CCCC2 NC(=O)[*:1] Cc1[nH]nc(c1NC(=O)Cc1ccc2CCCCc2c1)[*:1]
COC(=O)c1c(NC(=O)C[C@@H]2Oc3ccc(C)cc3NC2=O)c(C)nn1C COC(=O)[*:1] Cc1ccc2O[C@@H](CC(=O)Nc3c(C)nn(C)c3[*:1])C(=O)Nc2c1
O=C(NCc1ccccc1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(cc1)-n1nc(ccc1=O)OCc1ccc(Cl)cc1
O=C(NCc1ccccc1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1 Clc1ccc(cc1)C[*:1] O=C(NCc1ccccc1)c1ccc(cc1)-n1nc(ccc1=O)O[*:1]
O=C(NCc1ccccc1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1 Clc1ccc(cc1)CO[*:1] O=C(NCc1ccccc1)c1ccc(cc1)-n1nc(ccc1=O)[*:1]
O=C(NCc1ccccc1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1 O=C(NCc1ccccc1)[*:1] O=c1ccc(nn1-c1ccc(cc1)[*:1])OCc1ccc(Cl)cc1
O=C(NCc1ccccc1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1ccccc1)c1ccc(cc1)-n1nc(ccc1=O)OC[*:1]
O=C(NCc1ccccc1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(cc1)-n1nc(ccc1=O)OCc1ccc(Cl)cc1
Cc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCCN(CC(C)(C)C)C1=O Cc1ccc(F)cc1[*:1] CC(C)(C)CN1CCC[C@](O)(C[NH2+]C[*:1])C1=O
Cc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCCN(CC(C)(C)C)C1=O CC(C)(C)C[*:1] Cc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCCN(C1=O)[*:1]
Cc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCCN(CC(C)(C)C)C1=O CC(C)(C)[*:1] Cc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCCN(C[*:1])C1=O
C[C@H](CC(=O)NC1CCCC1)NC(=O)C1CCCCC1 C1CCC(C1)[*:1] C[C@H](CC(=O)N[*:1])NC(=O)C1CCCCC1
C[C@H](CC(=O)NC1CCCC1)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](CC(=O)NC1CCCC1)NC(=O)[*:1]
COC(=O)c1cc2c(c(OC)c1)O[C@H](C#N)CN2 COC(=O)[*:1] COc1cc(cc2NC[C@@H](C#N)Oc21)[*:1]
O=C(CC1CCCC1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 C1CCC(C1)C[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1)[*:1]
O=C(CC1CCCC1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 C1CCC(C1)[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1
C[NH2+][C@@H]1CCCc2cc(OCc3cccc(C)n3)ccc21 Cc1cccc(n1)[*:1] C[NH2+][C@@H]1CCCc2cc(ccc21)OC[*:1]
O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccccc1F)N[*:1]
O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)Nc1ccccc1Cl Fc1ccccc1[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])Nc1ccccc1Cl
CC[C@](C)(NC(=O)CCOc1ccc(Cl)c(Cl)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)CCOc1ccc(Cl)c(Cl)c1)[*:1]
COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2nnc(C)s2)C1 Cc1nnc(s1)[*:1] COc1ccc(Cl)cc1C(=O)N1CCC[C@H](C1)[*:1]
CC[C@@H](C(=O)NCCc1ncccc1C)n1cc(C(C)=O)c2ccccc21 CC(=O)[*:1] CC[C@@H](C(=O)NCCc1ncccc1C)n1cc(c2ccccc21)[*:1]
CC[C@@H](C(=O)NCCc1ncccc1C)n1cc(C(C)=O)c2ccccc21 Cc1cccnc1CC[*:1] CC[C@@H](C(=O)N[*:1])n1cc(C(C)=O)c2ccccc21
CC[C@@H](C(=O)NCCc1ncccc1C)n1cc(C(C)=O)c2ccccc21 Cc1cccnc1C[*:1] CC[C@@H](C(=O)NC[*:1])n1cc(C(C)=O)c2ccccc21
CC[C@@H](C(=O)NCCc1ncccc1C)n1cc(C(C)=O)c2ccccc21 Cc1cccnc1[*:1] CC[C@@H](C(=O)NCC[*:1])n1cc(C(C)=O)c2ccccc21
CCc1nc([C@H](C)NC(=O)/C=C/c2cn(C)c3ccccc23)cs1 CCc1nc(cs1)[*:1] C[C@H](NC(=O)/C=C/c1cn(C)c2ccccc12)[*:1]
C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cccc(C#N)c1 FC(F)(F)CC[*:1] C[C@@H](NC(=O)N(CC1CC1)[*:1])c1cccc(C#N)c1
C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cccc(C#N)c1 FC(F)(F)[*:1] C[C@@H](NC(=O)N(CC[*:1])CC1CC1)c1cccc(C#N)c1
C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cccc(C#N)c1 C1CC1C[*:1] C[C@@H](NC(=O)N(CCC(F)(F)F)[*:1])c1cccc(C#N)c1
C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cccc(C#N)c1 FC(F)(F)C[*:1] C[C@@H](NC(=O)N(CC1CC1)C[*:1])c1cccc(C#N)c1
C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)[*:1]
C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cccc(C#N)c1 C1CC1[*:1] C[C@@H](NC(=O)N(CCC(F)(F)F)C[*:1])c1cccc(C#N)c1
O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cc2ccccc2[nH]1 O=C(N[*:1])[C@@H]1CCCO1 O=C(Nc1ccc(cc1)[*:1])c1cc2ccccc2[nH]1
COc1ccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 COc1ccc(cc1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)OC(C)(C)C)[*:1]
COc1ccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 CC(C)(C)OC(=O)[*:1] COc1ccc(cc1)[C@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
COc1ccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)O[*:1])=C(C)NC2CCCC(=O)C=21
COc1ccc(-n2nc3c(c2NC(=O)CC2CCCCC2)CSC3)cc1 COc1ccc(cc1)[*:1] O=C(CC1CCCCC1)Nc1c2CSCc2nn1[*:1]
COc1ccc(-n2nc3c(c2NC(=O)CC2CCCCC2)CSC3)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)-n1nc2CSCc2c1NC(=O)C[*:1]
COc1ccc(-n2nc3c(c2NC(=O)CC2CCCCC2)CSC3)cc1 C1CCC(CC1)C[*:1] COc1ccc(cc1)-n1nc2CSCc2c1NC(=O)[*:1]
O=C(NCC[C@H](O)c1ccccc1)[C@@H]1CSCN1C(=O)C1CCC1 O[C@H](c1ccccc1)[*:1] O=C(NCC[*:1])[C@@H]1CSCN1C(=O)C1CCC1
O=C(NCC[C@H](O)c1ccccc1)[C@@H]1CSCN1C(=O)C1CCC1 c1ccc(cc1)[*:1] O=C(NCC[C@H](O)[*:1])[C@@H]1CSCN1C(=O)C1CCC1
O=C(NCC[C@H](O)c1ccccc1)[C@@H]1CSCN1C(=O)C1CCC1 C1CC(C1)[*:1] O=C(NCC[C@H](O)c1ccccc1)[C@@H]1CSCN1C(=O)[*:1]
CC(=O)Nc1ccc(Cl)c(C(=O)N(C)[C@@H](C)c2ccon2)c1 c1cc(no1)[*:1] CC(=O)Nc1ccc(Cl)c(c1)C(=O)N(C)[C@@H](C)[*:1]
CC(=O)Nc1ccc(Cl)c(C(=O)N(C)[C@@H](C)c2ccon2)c1 CC(=O)N[*:1] C[C@@H](c1ccon1)N(C)C(=O)c1cc(ccc1Cl)[*:1]
COc1cc(C(=O)Nc2cc(-c3ccccc3)on2)cc2c1OCCO2 c1ccc(cc1)[*:1] COc1cc(cc2OCCOc12)C(=O)Nc1cc(on1)[*:1]
C[NH2+][C@@H](CCc1ccccc1)c1cc(C)cc(F)c1 c1ccc(cc1)[*:1] C[NH2+][C@@H](CC[*:1])c1cc(C)cc(F)c1
C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 [O-][n+]1ccccc1S[*:1] C[C@@H](C(=O)Nc1sc2CCCCCc2c1C#N)[*:1]
C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 [O-][n+]1ccccc1[*:1] C[C@@H](S[*:1])C(=O)Nc1sc2CCCCCc2c1C#N
COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)[O-])cc1C O=C([O-])[*:1] COc1ccc(Cl)cc1C(=O)Nc1ccc(cc1C)[*:1]
Cn1cc(Cl)c(C(=O)OCC(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(Cl)c(n1)C(=O)OCC(=O)[*:1]
CC[C@H](C)NC(=O)[C@H](C)Nc1cccc(NC(=O)c2ccccc2)c1 CC[C@H](C)[*:1] C[C@H](Nc1cccc(c1)NC(=O)c1ccccc1)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)Nc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@H](C)Nc1cccc(c1)NC(=O)[*:1]
CC[C@H](C)NC(=O)[C@H](C)Nc1cccc(NC(=O)c2ccccc2)c1 CC[C@H](C)NC(=O)[*:1] C[C@H](Nc1cccc(c1)NC(=O)c1ccccc1)[*:1]
CCOc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1C(F)(F)F FC(F)(F)[*:1] CCOc1ccc(cc1[*:1])N1C[C@@H](CC1=O)C(=O)[O-]
CCOc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1C(F)(F)F CCO[*:1] O=C([O-])[C@@H]1CC(=O)N(C1)c1ccc(c(c1)C(F)(F)F)[*:1]
CCOc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1C(F)(F)F O=C([O-])[*:1] CCOc1ccc(cc1C(F)(F)F)N1C[C@H](CC1=O)[*:1]
FC(F)(F)c1cnc(N2CCO[C@@H](Cn3cncn3)C2)c(Cl)c1 FC(F)(F)[*:1] Clc1cc(cnc1N1CCO[C@H](C1)Cn1cncn1)[*:1]
FC(F)(F)c1cnc(N2CCO[C@@H](Cn3cncn3)C2)c(Cl)c1 c1ncn(n1)[*:1] FC(F)(F)c1cnc(c(Cl)c1)N1CCO[C@H](C1)C[*:1]
FC(F)(F)c1cnc(N2CCO[C@@H](Cn3cncn3)C2)c(Cl)c1 c1ncn(C[*:1])n1 FC(F)(F)c1cnc(c(Cl)c1)N1CCO[C@@H](C1)[*:1]
C[C@H]1Cc2cc(-c3cc(CNC(=O)CCCBr)no3)ccc2O1 BrCCC[*:1] C[C@H]1Cc2cc(ccc2O1)-c1cc(CNC(=O)[*:1])no1
C[C@H]1Cc2cc(-c3cc(CNC(=O)CCCBr)no3)ccc2O1 O=C(CCCBr)N[*:1] C[C@H]1Cc2cc(ccc2O1)-c1cc(C[*:1])no1
C[C@H]1Cc2cc(-c3cc(CNC(=O)CCCBr)no3)ccc2O1 BrCC[*:1] C[C@H]1Cc2cc(ccc2O1)-c1cc(CNC(=O)C[*:1])no1
C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21 O=S(=O)(N1CCCCC1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)CSc2ccc(cc21)[*:1]
C[C@H]1CS(=O)(=O)N(c2cc(C(=O)Nc3ccc4cn[nH]c4c3)ccc2Cl)C1=O c1cc2cn[nH]c2cc1[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1cc(ccc1Cl)C(=O)N[*:1]
Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NCCCn2ccnc2)c1 Cc1cccc(c1)[*:1] O=C(C[C@H]1CSc2nc3c(cnn3[*:1])c(=O)n21)NCCCn1ccnc1
Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NCCCn2ccnc2)c1 c1cn(cn1)CC[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)NC[*:1]
Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NCCCn2ccnc2)c1 c1cn(cn1)[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)NCCC[*:1]
Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NCCCn2ccnc2)c1 c1cn(cn1)C[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)NCC[*:1]
Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NCCCn2ccnc2)c1 c1cn(cn1)CCC[*:1] Cc1cccc(c1)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)N[*:1]
CNC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1 CNC(=O)[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](c1cccc(O)c1)N(C)Cc1cnc2cnccn12 Oc1cccc(c1)[*:1] C[C@H](N(C)Cc1cnc2cnccn12)[*:1]
C[C@@H](CCc1ccco1)NS(=O)(=O)c1ccc(Cl)s1 c1coc(c1)C[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1ccc(Cl)s1
C[C@@H](CCc1ccco1)NS(=O)(=O)c1ccc(Cl)s1 c1coc(c1)[*:1] C[C@@H](CC[*:1])NS(=O)(=O)c1ccc(Cl)s1
C[C@@H](CCc1ccco1)NS(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](CCc1ccco1)NS(=O)(=O)[*:1]
CCOc1ccc2nc(N3CCN(C(=O)c4cc(Cl)ccc4[N+](=O)[O-])CC3)sc2c1 CCO[*:1] O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(N3CCN(C(=O)c4cc(Cl)ccc4[N+](=O)[O-])CC3)sc2c1 O=[N+]([O-])c1ccc(Cl)cc1[*:1] CCOc1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[*:1]
CCOc1ccc2nc(N3CCN(C(=O)c4cc(Cl)ccc4[N+](=O)[O-])CC3)sc2c1 O=[N+]([O-])[*:1] CCOc1ccc2nc(sc2c1)N1CCN(CC1)C(=O)c1cc(Cl)ccc1[*:1]
O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 Clc1ccccc1[*:1] O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC[C@H]([NH+]1CCCC1)[*:1]
CC[C@@H](C)C(=O)N1CCC(C(=O)N(C)C)CC1 CN(C)C(=O)[*:1] CC[C@@H](C)C(=O)N1CCC(CC1)[*:1]
CC[C@@H](C)C(=O)N1CCC(C(=O)N(C)C)CC1 CC[C@@H](C)[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)[*:1]
C[S@](=O)c1ccc(NC(=O)C(=O)NCC2CCC(C)(C)CC2)cc1F CC1(C)CCC(CC1)[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)NC[*:1]
CC(C)(CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNC(=O)[C@H]1CCC[C@@H](C1)C(=O)[O-])[*:1]
CC(C)(CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)S(C)(=O)=O O=C([O-])[*:1] CC(C)(CNC(=O)[C@H]1CCC[C@H](C1)[*:1])S(C)(=O)=O
O=C(OCc1cc(Cl)ccc1OC(F)F)C1CC1 O=C(O[*:1])C1CC1 FC(F)Oc1ccc(Cl)cc1C[*:1]
O=C(OCc1cc(Cl)ccc1OC(F)F)C1CC1 FC(F)O[*:1] O=C(OCc1cc(Cl)ccc1[*:1])C1CC1
O=C(OCc1cc(Cl)ccc1OC(F)F)C1CC1 C1CC1[*:1] O=C(OCc1cc(Cl)ccc1OC(F)F)[*:1]
O=C(OCc1cc(Cl)ccc1OC(F)F)C1CC1 FC(F)[*:1] O=C(OCc1cc(Cl)ccc1O[*:1])C1CC1
Cc1ccc(-c2ncco2)cc1NC(=O)[C@H](C)C1CCOCC1 C1CC(CCO1)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)[C@H](C)C1CCOCC1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)C1CCOCC1)[*:1]
Cc1cc(OCC(N)=O)c2c3c(c(=O)oc2c1)CCCC3 NC(=O)[*:1] Cc1cc(OC[*:1])c2c3CCCCc3c(=O)oc2c1
Cc1cc(OCC(N)=O)c2c3c(c(=O)oc2c1)CCCC3 NC(=O)CO[*:1] Cc1cc(c2c3CCCCc3c(=O)oc2c1)[*:1]
Cc1cc(OCC(N)=O)c2c3c(c(=O)oc2c1)CCCC3 NC(=O)C[*:1] Cc1cc(O[*:1])c2c3CCCCc3c(=O)oc2c1
C[C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] C[C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(CC1)c1cccc(c1)[*:1]
CCCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3ccc(C)cc3)ccc21 Cc1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCCc2cc(ccc21)NC(=O)N[*:1]
CCCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3ccc(C)cc3)ccc21 CCC[*:1] Cc1ccc(cc1)NC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C1CCCC1)CC2 C1CCC(C1)[*:1] COCc1nc2CC[C@@H](Cn2n1)[NH2+][C@H](C)[*:1]
COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C1CCCC1)CC2 COC[*:1] C[C@@H]([NH2+][C@H]1CCc2nc(nn2C1)[*:1])C1CCCC1
O=C(N/N=C/c1ccco1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(N/N=C/c1ccco1)C1CC[NH+](CC1)C[*:1]
O=C(N/N=C/c1ccco1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] O=C(N/N=C/c1ccco1)C1CC[NH+](CC1)[*:1]
O=C(N/N=C/c1ccco1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 c1coc(c1)[*:1] O=C(NN=C[*:1])C1CC[NH+](CC1)Cc1ccc(Cl)cc1
CN(C)C1=c2c(=O)n(C)c(=O)n(C)c2=[NH+][C@H]2C=CC=CN12 CN(C)[*:1] Cn1c(=O)c2=C(N3C=CC=C[C@@H]3[NH+]=c2n(C)c1=O)[*:1]
O=C(NCCc1cccs1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 c1csc(c1)[*:1] O=C(NCC[*:1])c1cn[nH]c1-c1ccc(cc1)[N+](=O)[O-]
O=C(NCCc1cccs1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NCCc1cccs1)c1cn[nH]c1-c1ccc(cc1)[*:1]
O=C(NCCc1cccs1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 c1csc(c1)CC[*:1] O=C(N[*:1])c1cn[nH]c1-c1ccc(cc1)[N+](=O)[O-]
O=C(NCCc1cccs1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 c1csc(c1)C[*:1] O=C(NC[*:1])c1cn[nH]c1-c1ccc(cc1)[N+](=O)[O-]
CCOC(=O)[C@H](F)Oc1ccc(Cl)cc1 CCOC(=O)[*:1] F[C@H](Oc1ccc(Cl)cc1)[*:1]
COc1ccc([C@@H](CNC(=O)C=C2CCSCC2)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(C=C1CCSCC1)NC[C@@H]([NH+]1CCCC1)[*:1]
COc1ccc([C@@H](CNC(=O)C=C2CCSCC2)[NH+]2CCCC2)cc1 C(=C1CCSCC1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+]1CCCC1
CC1(C)CCC[C@]1([NH2+]Cc1cccs1)C(=O)[O-] O=C([O-])[*:1] CC1(C)CCC[C@@]1([NH2+]Cc1cccs1)[*:1]
CC1(C)CCC[C@]1([NH2+]Cc1cccs1)C(=O)[O-] c1csc(c1)[*:1] CC1(C)CCC[C@]1([NH2+]C[*:1])C(=O)[O-]
CCOc1ccccc1C(=O)N(C)[C@@H](C)c1ccccc1F CCO[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)N(C)[C@@H](C)c1ccccc1F Fc1ccccc1[*:1] CCOc1ccccc1C(=O)N(C)[C@@H](C)[*:1]
Cc1cccc(C)c1N[C@@H](C)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] Cc1cccc(C)c1[*:1] C[C@H](N[*:1])C(=O)N/N=C/c1ccccc1[N+](=O)[O-]
Cc1cccc(C)c1N[C@@H](C)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C)c1N[C@@H](C)C(=O)N/N=C/c1ccccc1[*:1]
CCCCNC(=O)c1c2c(nc3ccccc13)CCC2 CCCC[*:1] O=C(N[*:1])c1c2CCCc2nc2ccccc12
CCCCNC(=O)c1c2c(nc3ccccc13)CCC2 CCC[*:1] O=C(NC[*:1])c1c2CCCc2nc2ccccc12
O=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(CC1)C(=O)[*:1]
O=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(C(=O)c2cccs2)CC1 c1ccc2c(cccc2c1)[*:1] O=C(C[*:1])NCC(=O)N1CCN(CC1)C(=O)c1cccs1
CC(C)[NH+]1CCN(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)CC1 CC(C)[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)N1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCN(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)CC1 C[C@@H]1CCCCN1C(=O)[*:1] CC(C)[NH+]1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(N2CCN([C@@H](c3ccncc3)c3nnnn3C(C)(C)C)CC2)c1C CC(C)(C)n1nnnc1[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@@H](c1ccncc1)[*:1]
Cc1cccc(N2CCN([C@@H](c3ccncc3)c3nnnn3C(C)(C)C)CC2)c1C CC(C)(C)[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@@H](c1ccncc1)c1nnnn1[*:1]
Cc1cccc(N2CCN([C@@H](c3ccncc3)c3nnnn3C(C)(C)C)CC2)c1C Cc1cccc(c1C)[*:1] CC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN([C@@H](c3ccncc3)c3nnnn3C(C)(C)C)CC2)c1C c1cc(ccn1)[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@@H](c1nnnn1C(C)(C)C)[*:1]
CCOC(=O)c1cnc(SC)nc1Oc1ccc2c(C)cc(=O)oc2c1 CCOC(=O)[*:1] CSc1ncc(c(n1)Oc1ccc2c(C)cc(=O)oc2c1)[*:1]
Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccccn2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H]([NH2+]CCNS(=O)(=O)[*:1])c1ccccn1
Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccccn2)c(C)s1 c1ccc(nc1)[*:1] Cc1cc(c(C)s1)S(=O)(=O)NCC[NH2+][C@@H](C)[*:1]
Cc1cc(C)c(C#N)c(N2CCCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)[nH+]1 Clc1ccc(c(Cl)c1)[*:1] Cc1cc(C)c(C#N)c([nH+]1)N1CCCN(CC1)S(=O)(=O)[*:1]
CCNC(=O)Cn1c(=O)/c(=C\c2ccccc2C)s/c1=C\C(=O)C(C)(C)C Cc1ccccc1[*:1] CCNC(=O)Cn1c(=O)c(=C[*:1])s/c1=C\C(=O)C(C)(C)C
CCNC(=O)Cn1c(=O)/c(=C\c2ccccc2C)s/c1=C\C(=O)C(C)(C)C CCNC(=O)[*:1] Cc1ccccc1/C=c1/s/c(=C\C(=O)C(C)(C)C)n(C[*:1])c1=O
CCNC(=O)Cn1c(=O)/c(=C\c2ccccc2C)s/c1=C\C(=O)C(C)(C)C CC(C)(C)C(=O)[*:1] CCNC(=O)Cn1c(=O)/c(=C\c2ccccc2C)sc1=C[*:1]
CCNC(=O)Cn1c(=O)/c(=C\c2ccccc2C)s/c1=C\C(=O)C(C)(C)C CCNC(=O)C[*:1] Cc1ccccc1/C=c1/s/c(=C\C(=O)C(C)(C)C)n(c1=O)[*:1]
CCNC(=O)Cn1c(=O)/c(=C\c2ccccc2C)s/c1=C\C(=O)C(C)(C)C CC(C)(C)[*:1] CCNC(=O)Cn1c(=O)/c(=C\c2ccccc2C)s/c1=C\C(=O)[*:1]
CCC(CC)c1cc(CNc2ccc([N+](=O)[O-])c3cnccc23)on1 O=[N+]([O-])[*:1] CCC(CC)c1cc(CNc2ccc(c3cnccc23)[*:1])on1
CCC(CC)c1cc(CNc2ccc([N+](=O)[O-])c3cnccc23)on1 CCC(CC)[*:1] O=[N+]([O-])c1ccc(NCc2cc(no2)[*:1])c2ccncc12
Cc1nnc2ccc(N[C@H]3C[C@@H]3C3CCCCC3)nn12 C1CCC(CC1)[*:1] Cc1nnc2ccc(nn12)N[C@H]1C[C@H]1[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](CSc2ccccn2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](CSc2ccccn2)C1
CC(C)(C)OC(=O)N1CC[C@@H](CSc2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](CS[*:1])C1
Cc1c(C(=O)Nc2ccc(CC(=O)NCc3ccco3)cc2)nc2ccc(Cl)cn12 O=C(NCc1ccco1)[*:1] Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(cc1)C[*:1]
Cc1c(C(=O)Nc2ccc(CC(=O)NCc3ccco3)cc2)nc2ccc(Cl)cn12 c1coc(c1)C[*:1] Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(cc1)CC(=O)N[*:1]
Cc1c(C(=O)Nc2ccc(CC(=O)NCc3ccco3)cc2)nc2ccc(Cl)cn12 c1coc(c1)[*:1] Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(cc1)CC(=O)NC[*:1]
Cc1c(C(=O)Nc2ccc(CC(=O)NCc3ccco3)cc2)nc2ccc(Cl)cn12 O=C(C[*:1])NCc1ccco1 Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C2=NN=C[C@@H]2/C=N/NC(=O)c2ccc3ccccc3c2)cc1 Cc1ccc(cc1)[*:1] O=C(N/N=C/[C@H]1C=NN=C1[*:1])c1ccc2ccccc2c1
CCN[C@]1(C(=O)OC)CC[C@@H](N2CCOC[C@@H]2C)C1 COC(=O)[*:1] CCN[C@@]1(CC[C@H](C1)N1CCOC[C@@H]1C)[*:1]
CCN[C@]1(C(=O)OC)CC[C@@H](N2CCOC[C@@H]2C)C1 CCN[*:1] COC(=O)[C@@]1(CC[C@H](C1)N1CCOC[C@@H]1C)[*:1]
CSCc1cc(F)ccc1CNC(=O)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CSCc1cc(F)ccc1CNC(=O)c1ccc(cc1)[*:1]
CSCc1cc(F)ccc1CNC(=O)c1ccc(-n2cncn2)cc1 CSC[*:1] O=C(NCc1ccc(F)cc1[*:1])c1ccc(cc1)-n1cncn1
COC(=O)C1(N(C)Cc2cn(-c3ccccc3)nc2C)CCCC1 COC(=O)[*:1] Cc1nn(cc1CN(C)C1(CCCC1)[*:1])-c1ccccc1
COC(=O)C1(N(C)Cc2cn(-c3ccccc3)nc2C)CCCC1 c1ccc(cc1)[*:1] COC(=O)C1(CCCC1)N(C)Cc1cn(nc1C)[*:1]
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC[C@@H]1C(=O)[O-] CC(C)[*:1] O=C(N[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)cc1
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC[C@@H]1C(=O)[O-] Fc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])C(=O)N1CCC[C@@H]1C(=O)[O-]
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C1)c1ccc(F)cc1)C(=O)N1CCC[C@H]1[*:1]
COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)c2ccc3c(c2)CCO3)C1=O c1cc2OCCc2cc1[*:1] COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)[*:1])C1=O
COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)c2ccc3c(c2)CCO3)C1=O COc1ccccc1[*:1] C[C@]1(NC(=O)N(CC(=O)c2ccc3OCCc3c2)C1=O)[*:1]
O=C(c1ccc(Br)nc1)N1CCc2sccc2[C@@H]1C1CC1 Brc1ccc(cn1)[*:1] O=C(N1CCc2sccc2[C@@H]1C1CC1)[*:1]
O=C(c1ccc(Br)nc1)N1CCc2sccc2[C@@H]1C1CC1 C1CC1[*:1] O=C(c1ccc(Br)nc1)N1CCc2sccc2[C@H]1[*:1]
COc1cccc2c1N(Cc1nnnn1C1CC1)CCC2 C1CC1[*:1] COc1cccc2CCCN(Cc3nnnn3[*:1])c21
CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 c1ccc2O[C@@H](COc2c1)[*:1] CCN(C[*:1])C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1
CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)N[C@@H]([C@@H]1CCCO1)[*:1]
Cc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1 Cc1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(F)cc1F
CCS(=O)(=O)[N-]c1ccc(Nc2nc(N(C)C)cc(C)[nH+]2)cc1 CN(C)[*:1] CCS(=O)(=O)[N-]c1ccc(cc1)Nc1nc(cc(C)[nH+]1)[*:1]
O=C(Nc1ccc(Cl)cc1F)N[C@H](CCO)c1cccs1 OCC[*:1] O=C(Nc1ccc(Cl)cc1F)N[C@H](c1cccs1)[*:1]
O=C(Nc1ccc(Cl)cc1F)N[C@H](CCO)c1cccs1 c1csc(c1)[*:1] O=C(Nc1ccc(Cl)cc1F)N[C@H](CCO)[*:1]
CCO[C@@H]1C[C@H](N(C)C(=O)c2cn(C)nc2CC)C12CCCC2 CCO[*:1] CCc1nn(C)cc1C(=O)N(C)[C@H]1C[C@H](C12CCCC2)[*:1]
Cc1cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c(OC(F)F)cc1C CC(C)N(C)C(=O)[*:1] Cc1cc(C[NH+]2CCC(CC2)[*:1])c(cc1C)OC(F)F
Cc1cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c(OC(F)F)cc1C CC(C)[*:1] Cc1cc(C[NH+]2CCC(CC2)C(=O)N(C)[*:1])c(cc1C)OC(F)F
Cc1cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c(OC(F)F)cc1C FC(F)O[*:1] Cc1cc(C[NH+]2CCC(CC2)C(=O)N(C)C(C)C)c(cc1C)[*:1]
Cc1cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c(OC(F)F)cc1C FC(F)[*:1] Cc1cc(C[NH+]2CCC(CC2)C(=O)N(C)C(C)C)c(cc1C)O[*:1]
Cc1ccc(OCc2nc(C)c(C(=O)N3CCc4ccccc4C3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(CO[*:1])sc1C(=O)N1CCc2ccccc2C1
Cc1ccc(OCc2nc(C)c(C(=O)N3CCc4ccccc4C3)s2)cc1 Cc1ccc(cc1)O[*:1] Cc1nc(C[*:1])sc1C(=O)N1CCc2ccccc2C1
Cc1ccc(OCc2nc(C)c(C(=O)N3CCc4ccccc4C3)s2)cc1 Cc1ccc(cc1)OC[*:1] Cc1nc(sc1C(=O)N1CCc2ccccc2C1)[*:1]
CC[C@H](C)NC(=O)c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1 CC[C@H](C)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)-c1noc(n1)C(=O)N[*:1]
CC[C@H](C)NC(=O)c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1 CN(C)S(=O)(=O)[*:1] CC[C@H](C)NC(=O)c1nc(no1)-c1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1 CC[C@H](C)NC(=O)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)-c1noc(n1)[*:1]
CC(=O)NCC(=O)NCC(N)=O NC(=O)[*:1] CC(=O)NCC(=O)NC[*:1]
CC(=O)NCC(=O)NCC(N)=O CC(=O)N[*:1] NC(=O)CNC(=O)C[*:1]
CC(=O)NCC(=O)NCC(N)=O NC(=O)C[*:1] CC(=O)NCC(=O)N[*:1]
C[C@H](O)/C=C/[C@H]1OC(=O)C[C@H]1Nc1ccc(C(=O)[O-])cc1 C[C@H](O)[*:1] O=C1C[C@@H](Nc2ccc(cc2)C(=O)[O-])[C@@H](C=C[*:1])O1
C[C@H](O)/C=C/[C@H]1OC(=O)C[C@H]1Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] C[C@H](O)/C=C/[C@H]1OC(=O)C[C@H]1Nc1ccc(cc1)[*:1]
C[C@H](O)/C=C/[C@H]1OC(=O)C[C@H]1Nc1ccc(C(=O)[O-])cc1 C[C@H](O)C=C[*:1] O=C1C[C@@H](Nc2ccc(cc2)C(=O)[O-])[C@H](O1)[*:1]
Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@H](C)[*:1]
Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@H](C)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] Cc1nc(NCCc2ccccc2)sc1C(=O)N[*:1]
Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@H](C)c1ccc(F)cc1 c1ccc(cc1)CC[*:1] Cc1nc(N[*:1])sc1C(=O)N[C@H](C)c1ccc(F)cc1
Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@H](C)c1ccc(F)cc1 c1ccc(cc1)CCN[*:1] Cc1nc(sc1C(=O)N[C@H](C)c1ccc(F)cc1)[*:1]
Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@H](C)c1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1nc(NCC[*:1])sc1C(=O)N[C@H](C)c1ccc(F)cc1
Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@H](C)c1ccc(F)cc1 c1ccc(cc1)C[*:1] Cc1nc(NC[*:1])sc1C(=O)N[C@H](C)c1ccc(F)cc1
COc1ccc(C)cc1NC(=O)CCc1ccccc1F Fc1ccccc1[*:1] COc1ccc(C)cc1NC(=O)CC[*:1]
Cc1cc(C)n(-c2ccc(CNC(=O)C[NH+](C)C(C)C)cn2)n1 Cc1cc(C)n(n1)[*:1] CC(C)[NH+](C)CC(=O)NCc1ccc(nc1)[*:1]
Cc1cc(C)n(-c2ccc(CNC(=O)C[NH+](C)C(C)C)cn2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)CNC(=O)C[NH+](C)[*:1]
CC(C)N(C)C(=O)NCc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CC(C)N(C)C(=O)NCc1ccc(cc1)[*:1]
CC(C)N(C)C(=O)NCc1ccc(C(=O)N(C)C)cc1 CC(C)[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)N(C)[*:1]
C[C@H](NC(=O)c1cc(-c2cccs2)nc2ccccc12)[C@@H](C)N1CCOCC1 c1csc(c1)[*:1] C[C@H](NC(=O)c1cc(nc2ccccc12)[*:1])[C@@H](C)N1CCOCC1
C[C@H](NC(=O)c1cc(-c2cccs2)nc2ccccc12)[C@@H](C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](NC(=O)c1cc(nc2ccccc12)-c1cccs1)[C@@H](C)[*:1]
O=C(NCCNC(=O)[C@H]1C[NH2+]C[C@H](C(=O)N2CCCC2)C1)c1cccnc1 O=C(N[*:1])c1cccnc1 O=C(NCC[*:1])[C@H]1C[NH2+]C[C@@H](C1)C(=O)N1CCCC1
O=C(NCCNC(=O)[C@H]1C[NH2+]C[C@H](C(=O)N2CCCC2)C1)c1cccnc1 O=C(N1CCCC1)[*:1] O=C(NCCNC(=O)[C@H]1C[NH2+]C[C@H](C1)[*:1])c1cccnc1
O=C(NCCNC(=O)[C@H]1C[NH2+]C[C@H](C(=O)N2CCCC2)C1)c1cccnc1 c1cncc(c1)[*:1] O=C(NCCNC(=O)[*:1])[C@H]1C[NH2+]C[C@@H](C1)C(=O)N1CCCC1
Cc1csc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 Cc1csc(n1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nc2ccccc2o1
Cc1cc(C)cc(NC(=O)CC2CCCC2)c1 C1CCC(C1)[*:1] Cc1cc(C)cc(c1)NC(=O)C[*:1]
Cc1occc1C(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1 Cc1occc1[*:1] N#C/C(=C\c1cccc(c1)C(F)(F)F)C(=O)[*:1]
Cc1occc1C(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1occc1C(=O)/C(C#N)=C/c1cccc(c1)[*:1]
O=C(Nc1ccc(O)c(C(=O)[O-])c1)c1ccc(Br)o1 O=C([O-])[*:1] O=C(Nc1ccc(O)c(c1)[*:1])c1ccc(Br)o1
O=C(Nc1ccc(O)c(C(=O)[O-])c1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C([O-])c1cc(ccc1O)NC(=O)[*:1]
CN(c1cncc(C[NH2+]C2CC2)n1)c1ccccc1F C1CC1[*:1] CN(c1cncc(C[NH2+][*:1])n1)c1ccccc1F
COc1ccc(-c2nc(C[NH+]3CCN(Cc4cccc(C)c4)C(=O)C3)c(C)o2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cccc(c1)CN1CC[NH+](CC1=O)Cc1nc(oc1C)[*:1]
COc1ccc(-c2nc(C[NH+]3CCN(Cc4cccc(C)c4)C(=O)C3)c(C)o2)c(OC)c1 Cc1cccc(c1)C[*:1] COc1ccc(-c2nc(C[NH+]3CCN(C(=O)C3)[*:1])c(C)o2)c(c1)OC
COc1ccc(-c2nc(C[NH+]3CCN(Cc4cccc(C)c4)C(=O)C3)c(C)o2)c(OC)c1 Cc1cccc(c1)[*:1] COc1ccc(-c2nc(C[NH+]3CCN(C[*:1])C(=O)C3)c(C)o2)c(c1)OC
CC(C)(C)NC(=O)c1cccc(NC(=O)NCc2cccc3cccnc23)c1 CC(C)(C)NC(=O)[*:1] O=C(NCc1cccc2cccnc12)Nc1cccc(c1)[*:1]
CC(C)(C)NC(=O)c1cccc(NC(=O)NCc2cccc3cccnc23)c1 CC(C)(C)[*:1] O=C(NCc1cccc2cccnc12)Nc1cccc(c1)C(=O)N[*:1]
CCc1cc(N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 C1CN(CCO1)[*:1] CCc1cc(nc(n1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
CCc1cc(N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] CCc1cc(nc(n1)-c1ccc(cc1)[*:1])N1CCOCC1
COC(OC)c1ccnn1-c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(OC)c1ccnn1-c1ccccc1[*:1]
COC(OC)c1ccnn1-c1ccccc1[N+](=O)[O-] COC(OC)[*:1] O=[N+]([O-])c1ccccc1-n1nccc1[*:1]
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccn1)n1nc(C(F)(F)F)nc1N2 c1ccc(nc1)[*:1] O=C1C[C@H](CC2Nc3nc(nn3[C@@H](C=21)[*:1])C(F)(F)F)c1ccccc1
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccn1)n1nc(C(F)(F)F)nc1N2 c1ccc(cc1)[*:1] O=C1C[C@@H](CC2Nc3nc(nn3[C@H](C=21)c1ccccn1)C(F)(F)F)[*:1]
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccn1)n1nc(C(F)(F)F)nc1N2 FC(F)(F)[*:1] O=C1C[C@H](CC2Nc3nc(nn3[C@H](C=21)c1ccccn1)[*:1])c1ccccc1
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N[C@H]2CCc3ccccc32)c1 CO[C@@H](C)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])N[C@H]1CCc2ccccc21
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N[C@H]2CCc3ccccc32)c1 CO[C@@H](C)C(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])N[C@H]1CCc2ccccc21
Cc1ccc(NC(=S)NC(=O)c2ccccc2C)c(O)c1 Cc1ccccc1[*:1] Cc1ccc(NC(=S)NC(=O)[*:1])c(O)c1
O=C(Nc1nnc(-c2ccc(Br)o2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 Brc1ccc(o1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(Nc1nnc(-c2ccc(Br)o2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1nnc(o1)-c1ccc(Br)o1)c1ccc(cc1)[*:1]
CC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 Fc1ccc(cc1)C[*:1] CC[C@H](c1nnnn1[*:1])N1CCN(CC1)c1ccccc1F
CC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 Fc1ccc(cc1)[*:1] CC[C@H](c1nnnn1C[*:1])N1CCN(CC1)c1ccccc1F
CC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] CC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(CC1)[*:1]
COc1c(C)cnc(COc2cccc([N+](=O)[O-])c2)c1C O=[N+]([O-])[*:1] COc1c(C)cnc(COc2cccc(c2)[*:1])c1C
COc1cc(F)cc(CNc2ccc(C(F)(F)F)nn2)c1 FC(F)(F)[*:1] COc1cc(F)cc(c1)CNc1ccc(nn1)[*:1]
COc1ccc(OCCSc2nnc(-c3cccc(F)c3)n2N)cc1 COc1ccc(cc1)[*:1] Nn1c(nnc1-c1cccc(F)c1)SCCO[*:1]
COc1ccc(OCCSc2nnc(-c3cccc(F)c3)n2N)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)OCCSc1nnc(n1N)[*:1]
O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC[C@@H]1c1cccs1 O=S(=O)(N1CCCCCC1)[*:1] O=C(CCc1ccc(cc1)[*:1])N1CCC[C@@H]1c1cccs1
O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(CCc1ccc(cc1)S(=O)(=O)N1CCCCCC1)N1CCC[C@H]1[*:1]
NC(=O)c1csc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1 NC(=O)[*:1] c1ccc2[nH]c(nc2c1)[C@@H]1CCCN(C1)c1nc(cs1)[*:1]
COc1cccc2c(C)cc(N(C)CCc3ccccc3)[nH+]c12 c1ccc(cc1)C[*:1] COc1cccc2c(C)cc([nH+]c12)N(C)C[*:1]
COc1cccc2c(C)cc(N(C)CCc3ccccc3)[nH+]c12 c1ccc(cc1)[*:1] COc1cccc2c(C)cc([nH+]c12)N(C)CC[*:1]
C#CCn1/c(=N\C(=O)Cc2ccc3c(c2)OCO3)sc2cc(OC)ccc21 C#CC[*:1] COc1ccc2c(c1)s/c(=N/C(=O)Cc1ccc3OCOc3c1)n2[*:1]
C#CCn1/c(=N\C(=O)Cc2ccc3c(c2)OCO3)sc2cc(OC)ccc21 c1cc2OCOc2cc1[*:1] C#CCn1/c(=N\C(=O)C[*:1])sc2cc(ccc21)OC
C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1[C@H]1CCS(=O)(=O)C1 Clc1cccc(c1)[*:1] C=CCn1c(nnc1[C@H]1CCS(=O)(=O)C1)SCc1coc(n1)[*:1]
C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nnc1[C@H]1CCS(=O)(=O)C1 C=CC[*:1] O=S1(=O)CC[C@@H](C1)c1nnc(SCc2coc(n2)-c2cccc(Cl)c2)n1[*:1]
CCOC(=O)Cc1csc(NC(=O)c2ccccc2I)n1 CCOC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])c1ccccc1I
CCOC(=O)Cc1csc(NC(=O)c2ccccc2I)n1 Ic1ccccc1[*:1] CCOC(=O)Cc1csc(n1)NC(=O)[*:1]
CCOC(=O)Cc1csc(NC(=O)c2ccccc2I)n1 CCOC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1I
C[C@@H](c1ncc(C(C)(C)C)o1)[S@](=O)Cc1cccc2ccccc12 CC(C)(C)[*:1] C[C@@H](c1ncc(o1)[*:1])[S@](=O)Cc1cccc2ccccc12
Cc1csc(=O)n1CC(=O)N[C@H]1CCCC[C@H]1OCCC(C)C CC(C)CCO[*:1] Cc1csc(=O)n1CC(=O)N[C@H]1CCCC[C@@H]1[*:1]
Cc1csc(=O)n1CC(=O)N[C@H]1CCCC[C@H]1OCCC(C)C CC(C)[*:1] Cc1csc(=O)n1CC(=O)N[C@H]1CCCC[C@H]1OCC[*:1]
Cc1csc(=O)n1CC(=O)N[C@H]1CCCC[C@H]1OCCC(C)C CC(C)CC[*:1] Cc1csc(=O)n1CC(=O)N[C@H]1CCCC[C@H]1O[*:1]
Cc1csc(=O)n1CC(=O)N[C@H]1CCCC[C@H]1OCCC(C)C Cc1csc(=O)n1[*:1] CC(C)CCO[C@@H]1CCCC[C@@H]1NC(=O)C[*:1]
Cc1csc(=O)n1CC(=O)N[C@H]1CCCC[C@H]1OCCC(C)C CC(C)C[*:1] Cc1csc(=O)n1CC(=O)N[C@H]1CCCC[C@H]1OC[*:1]
CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccccc2Cl)c1 CCO[*:1] CN1C(=O)[C@@H](CC(=O)Nc2cccc(c2)[*:1])N(Cc2ccccc2Cl)C1=S
CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccccc2Cl)c1 Clc1ccccc1C[*:1] CCOc1cccc(c1)NC(=O)C[C@@H]1C(=O)N(C)C(=S)N1[*:1]
CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccccc2Cl)c1 CCOc1cccc(c1)[*:1] CN1C(=O)[C@@H](CC(=O)N[*:1])N(Cc2ccccc2Cl)C1=S
CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] CCOc1cccc(c1)NC(=O)C[C@@H]1C(=O)N(C)C(=S)N1C[*:1]
CN(CC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1 c1coc(c1)C[*:1] CN(CC(=O)N[*:1])Cc1nc2ccccc2c(=O)[nH]1
CN(CC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1 c1coc(c1)[*:1] CN(CC(=O)NC[*:1])Cc1nc2ccccc2c(=O)[nH]1
OCc1cc(F)c(OCc2ccc(Cl)s2)c(F)c1 Clc1ccc(s1)[*:1] OCc1cc(F)c(OC[*:1])c(F)c1
CC[C@@H](CO)NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H](CO)NC(=S)NC(=O)c1ccccc1[*:1]
CC[C@@H](CO)NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] CC[C@@H](CO)[*:1] O=C(NC(=S)N[*:1])c1ccccc1[N+](=O)[O-]
CC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1[*:1]
CC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 CC(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(Br)cc2)N1c1ccccc1)[*:1]
CC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 c1ccc(cc1)[*:1] CC(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(Br)cc1)[*:1]
COc1ccc(C(=O)N(C)CC(F)(F)F)c(Br)c1 FC(F)(F)C[*:1] COc1ccc(C(=O)N(C)[*:1])c(Br)c1
COc1ccc(C(=O)N(C)CC(F)(F)F)c(Br)c1 FC(F)(F)[*:1] COc1ccc(C(=O)N(C)C[*:1])c(Br)c1
CCCC[C@H]1OCCC[C@H]1C[NH2+]C1CC1 C1CC1[*:1] CCCC[C@H]1OCCC[C@H]1C[NH2+][*:1]
CCCC[C@H]1OCCC[C@H]1C[NH2+]C1CC1 CCCC[*:1] C1CO[C@@H]([C@@H](C1)C[NH2+]C1CC1)[*:1]
CCCC[C@H]1OCCC[C@H]1C[NH2+]C1CC1 CCC[*:1] C1CO[C@H](C[*:1])[C@@H](C1)C[NH2+]C1CC1
Nc1nc(CC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cs1 Nc1nc(cs1)[*:1] O=C(C[*:1])NC[C@H]1CN2CCC[C@@H]2CO1
CC(=O)/C=C(/C)Nc1ccc(C)cc1 CC(=O)[*:1] CC(=C[*:1])Nc1ccc(C)cc1
Cc1ccccc1[C@@H](C[NH2+]C1CC1)Cc1cccs1 c1csc(c1)C[*:1] Cc1ccccc1[C@@H](C[NH2+]C1CC1)[*:1]
Cc1ccccc1[C@@H](C[NH2+]C1CC1)Cc1cccs1 c1csc(c1)[*:1] Cc1ccccc1[C@@H](C[NH2+]C1CC1)C[*:1]
Cc1ccccc1[C@@H](C[NH2+]C1CC1)Cc1cccs1 C1CC1[*:1] Cc1ccccc1[C@@H](C[NH2+][*:1])Cc1cccs1
C=CCC[C@@H](C)OC(=O)c1scnc1C1CC1 C=CCC[*:1] C[C@@H](OC(=O)c1scnc1C1CC1)[*:1]
C=CCC[C@@H](C)OC(=O)c1scnc1C1CC1 C1CC1[*:1] C=CCC[C@@H](C)OC(=O)c1scnc1[*:1]
C=CCC[C@@H](C)OC(=O)c1scnc1C1CC1 C=CC[*:1] C[C@H](C[*:1])OC(=O)c1scnc1C1CC1
O=S(=O)(c1cccs1)n1ccc(-c2ccc3c(c2)CCO3)n1 c1csc(c1)[*:1] O=S(=O)(n1ccc(n1)-c1ccc2OCCc2c1)[*:1]
Cc1c(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1
NC(=O)c1ccc(N[C@H]2C[C@@H]3CCCc4cccc2c43)nn1 NC(=O)[*:1] c1cc2CCC[C@H]3C[C@H](Nc4ccc(nn4)[*:1])c(c1)c23
O=C(C1CCCC1)N(Cc1ccccc1)C[C@H]1CC(c2cccc(F)c2)=NO1 C1CCC(C1)[*:1] O=C(N(Cc1ccccc1)C[C@H]1CC(=NO1)c1cccc(F)c1)[*:1]
O=C(C1CCCC1)N(Cc1ccccc1)C[C@H]1CC(c2cccc(F)c2)=NO1 c1ccc(cc1)C[*:1] O=C(C1CCCC1)N(C[C@H]1CC(=NO1)c1cccc(F)c1)[*:1]
O=C(C1CCCC1)N(Cc1ccccc1)C[C@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] O=C(C1CCCC1)N(Cc1ccccc1)C[C@H]1CC(=NO1)[*:1]
O=C(C1CCCC1)N(Cc1ccccc1)C[C@H]1CC(c2cccc(F)c2)=NO1 c1ccc(cc1)[*:1] O=C(C1CCCC1)N(C[C@H]1CC(=NO1)c1cccc(F)c1)C[*:1]
CCC[NH2+][C@H](Cc1cc(Br)cs1)[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] CCC[NH2+][C@H](Cc1cc(Br)cs1)[*:1]
CCC[NH2+][C@H](Cc1cc(Br)cs1)[C@]1(C)CCCO1 CCC[*:1] C[C@]1(CCCO1)[C@@H](Cc1cc(Br)cs1)[NH2+][*:1]
CCC[NH2+][C@H](Cc1cc(Br)cs1)[C@]1(C)CCCO1 Brc1csc(c1)[*:1] CCC[NH2+][C@H](C[*:1])[C@]1(C)CCCO1
CC(C)(CNC(=O)c1ccsc1)[NH+]1CCCCC1 c1cc(cs1)[*:1] CC(C)(CNC(=O)[*:1])[NH+]1CCCCC1
Cn1c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc2ccccc21 C1CO[C@@H](C1)[*:1] Cn1c(cc2ccccc21)C(=O)N(CC[NH+](C)C)C[*:1]
Cn1c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc2ccccc21 C1CO[C@@H](C1)C[*:1] Cn1c(cc2ccccc21)C(=O)N(CC[NH+](C)C)[*:1]
CSC[C@@H]1CCCN1C(=O)c1ccc2c(c1O)OC(C)(C)C2 CSC[*:1] CC1(C)Cc2ccc(C(=O)N3CCC[C@H]3[*:1])c(O)c2O1
COC(=O)[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C CC(C)(C)[*:1] COC(=O)[C@@H](NC(=O)[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
COC(=O)[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C COC(=O)[*:1] CC(C)(C)[C@H](NC(=O)[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
CC[C@@H](OC(=O)[C@H]1CCNC(=O)C1)c1cc(C)ccc1OC O=C1C[C@H](CCN1)[*:1] CC[C@@H](OC(=O)[*:1])c1cc(C)ccc1OC
CCO[C@@H]1C[C@@H](OC(=O)/C=C/c2ccc(Cl)nc2)C12CCC2 Clc1ccc(cn1)[*:1] CCO[C@@H]1C[C@@H](OC(=O)C=C[*:1])C12CCC2
CCO[C@@H]1C[C@@H](OC(=O)/C=C/c2ccc(Cl)nc2)C12CCC2 CCO[*:1] O=C(/C=C/c1ccc(Cl)nc1)O[C@@H]1C[C@H](C12CCC2)[*:1]
C[C@@H](Cc1cccs1)NS(=O)(=O)c1ccc(Br)cc1 c1csc(c1)C[*:1] C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[*:1]
C[C@@H](Cc1cccs1)NS(=O)(=O)c1ccc(Br)cc1 c1csc(c1)[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1ccc(Br)cc1
CCCN[C@](C)(CC[NH+]1C[C@@H](C)[C@H](C)C1)C(N)=O NC(=O)[*:1] CCCN[C@](C)(CC[NH+]1C[C@@H](C)[C@H](C)C1)[*:1]
CCCN[C@](C)(CC[NH+]1C[C@@H](C)[C@H](C)C1)C(N)=O CCC[*:1] C[C@@H]1C[NH+](CC[C@@](C)(N[*:1])C(N)=O)C[C@H]1C
CCCN[C@](C)(CC[NH+]1C[C@@H](C)[C@H](C)C1)C(N)=O CCCN[*:1] C[C@@H]1C[NH+](CC[C@@](C)(C(N)=O)[*:1])C[C@H]1C
CCCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)[*:1]
CCCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(F)c(F)c1 CCC[*:1] O=S(=O)(c1ccc(F)c(F)c1)N(C[C@H]1COc2ccccc2O1)[*:1]
O=C(NCc1ccccn1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 c1ccc(C[*:1])nc1 O=C(N[*:1])c1ccc(Cl)c(c1)S(=O)(=O)NC[C@H]1CCCO1
O=C(NCc1ccccn1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 c1ccc(nc1)[*:1] O=C(NC[*:1])c1ccc(Cl)c(c1)S(=O)(=O)NC[C@H]1CCCO1
O=C(C[S@](=O)Cc1nc(-c2cccs2)no1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[S@](=O)Cc1nc(no1)-c1cccs1)NC[*:1]
O=C(C[S@](=O)Cc1nc(-c2cccs2)no1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[S@](=O)Cc1nc(no1)-c1cccs1)N[*:1]
O=C(C[S@](=O)Cc1nc(-c2cccs2)no1)NCc1ccccc1 c1csc(c1)[*:1] O=C(C[S@](=O)Cc1nc(no1)[*:1])NCc1ccccc1
C[C@H]1S/C(=N/N=C\c2ccco2)N(Cc2ccccc2)C1=O c1coc(c1)[*:1] C[C@H]1S/C(=N/N=C[*:1])N(Cc2ccccc2)C1=O
C[C@H]1S/C(=N/N=C\c2ccco2)N(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] C[C@H]1S/C(=N/N=C\c2ccco2)N(C1=O)[*:1]
C[C@H]1S/C(=N/N=C\c2ccco2)N(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@H]1S/C(=N/N=C\c2ccco2)N(C[*:1])C1=O
C=CCc1cc(C)cc(-n2nc3ccccc3n2)c1O C=CC[*:1] Cc1cc(c(O)c(c1)[*:1])-n1nc2ccccc2n1
c1ccc(-n2c(SCCN3CCOCC3)nnc2C2CC2)cc1 c1ccc(cc1)[*:1] C1CN(CCO1)CCSc1nnc(C2CC2)n1[*:1]
c1ccc(-n2c(SCCN3CCOCC3)nnc2C2CC2)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)-n1c(nnc1C1CC1)SCC[*:1]
c1ccc(-n2c(SCCN3CCOCC3)nnc2C2CC2)cc1 C1CN(CCO1)C[*:1] c1ccc(cc1)-n1c(nnc1C1CC1)SC[*:1]
c1ccc(-n2c(SCCN3CCOCC3)nnc2C2CC2)cc1 C1CC1[*:1] c1ccc(cc1)-n1c(nnc1[*:1])SCCN1CCOCC1
CN(C)C(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
O=S1(=O)N=C(N2CC[C@@H](OCCCc3ccccc3)C2)c2ccccc21 c1ccc(cc1)CC[*:1] O=S1(=O)N=C(c2ccccc21)N1CC[C@H](C1)OC[*:1]
O=S1(=O)N=C(N2CC[C@@H](OCCCc3ccccc3)C2)c2ccccc21 c1ccc(cc1)[*:1] O=S1(=O)N=C(c2ccccc21)N1CC[C@H](C1)OCCC[*:1]
O=S1(=O)N=C(N2CC[C@@H](OCCCc3ccccc3)C2)c2ccccc21 c1ccc(cc1)C[*:1] O=S1(=O)N=C(c2ccccc21)N1CC[C@H](C1)OCC[*:1]
C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](c1cccs1)C1CCCC1 O=C(N[*:1])c1cccs1 C[C@@H](C(=O)N[C@H](c1cccs1)C1CCCC1)[*:1]
C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](c1cccs1)C1CCCC1 c1csc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N[C@H](c1cccs1)C1CCCC1
C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](c1cccs1)C1CCCC1 c1csc(c1)[*:1] C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C1CCCC1)[*:1]
C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](c1cccs1)C1CCCC1 C1CCC(C1)[*:1] C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](c1cccs1)[*:1]
C[C@H](C(=O)[O-])[C@@H](C(=O)c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)[O-])[C@@H](C(=O)c1ccccc1)[*:1]
C[C@H](C(=O)[O-])[C@@H](C(=O)c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@H](C(=O)[O-])[C@@H](C(=O)[*:1])c1ccc(F)cc1
Cc1nc(Br)ccc1NC(=O)C(=O)NCCC(=O)N(C)C CN(C)C(=O)CC[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)N[*:1]
Cc1nc(Br)ccc1NC(=O)C(=O)NCCC(=O)N(C)C CN(C)C(=O)[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)NCC[*:1]
Cc1nc(Br)ccc1NC(=O)C(=O)NCCC(=O)N(C)C CN(C)C(=O)C[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)NC[*:1]
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(SC)cc1 CCOC(=O)[*:1] CSc1ccc(cc1)[C@@H]1C(C#N)=C(N)OC(C)=C1[*:1]
Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CSc1nccn1C Cn1ccnc1SC[*:1] Cc1cc(cc(C)c1CCNC(=O)[*:1])C(C)(C)C
Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CSc1nccn1C Cn1ccnc1[*:1] Cc1cc(cc(C)c1CCNC(=O)CS[*:1])C(C)(C)C
Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CSc1nccn1C CC(C)(C)[*:1] Cc1cc(cc(C)c1CCNC(=O)CSc1nccn1C)[*:1]
Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CSc1nccn1C Cn1ccnc1S[*:1] Cc1cc(cc(C)c1CCNC(=O)C[*:1])C(C)(C)C
Cn1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 O=C([O-])[*:1] Cn1ccc(n1)NS(=O)(=O)c1cc(ccc1F)[*:1]
Cn1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 Cn1ccc(n1)[*:1] O=C([O-])c1ccc(F)c(c1)S(=O)(=O)N[*:1]
C[C@@H]1Cc2nc(SCC(=O)Nc3ccc(Br)cc3)n(-c3ccccc3)c(=O)c2S1 c1ccc(cc1)[*:1] C[C@@H]1Cc2nc(SCC(=O)Nc3ccc(Br)cc3)n(c(=O)c2S1)[*:1]
C[C@@H]1Cc2nc(SCC(=O)Nc3ccc(Br)cc3)n(-c3ccccc3)c(=O)c2S1 Brc1ccc(cc1)[*:1] C[C@@H]1Cc2nc(SCC(=O)N[*:1])n(-c3ccccc3)c(=O)c2S1
COCc1ccccc1[C@H](O)[C@@]1(C#N)CCOC1 COC[*:1] N#C[C@@]1(CCOC1)[C@@H](O)c1ccccc1[*:1]
C[C@H](OC(=O)CCN1CCCC1=O)c1ccccc1N(C)C O=C1CCCN1C[*:1] C[C@H](OC(=O)C[*:1])c1ccccc1N(C)C
C[C@H](OC(=O)CCN1CCCC1=O)c1ccccc1N(C)C O=C1CCCN1[*:1] C[C@H](OC(=O)CC[*:1])c1ccccc1N(C)C
C[C@H](OC(=O)CCN1CCCC1=O)c1ccccc1N(C)C CN(C)[*:1] C[C@H](OC(=O)CCN1CCCC1=O)c1ccccc1[*:1]
CSCC[C@@H](NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 CSC[*:1] O=C(Nc1ccccc1)N[C@H](C[*:1])c1nc2ccccc2[nH]1
CSCC[C@@H](NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 CSCC[*:1] O=C(Nc1ccccc1)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
CSCC[C@@H](NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] CSCC[C@@H](NC(=O)N[*:1])c1nc2ccccc2[nH]1
Cc1nn(-c2ncnc3[nH]cnc23)c(C)c1CC[NH3+] [NH3+]CC[*:1] Cc1nn(-c2ncnc3[nH]cnc23)c(C)c1[*:1]
CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1nc(C(=O)[O-])cc(=O)[nH]1 Clc1ccc(cc1)C[*:1] CS(=O)(=O)N(Cc1nc(cc(=O)[nH]1)C(=O)[O-])[*:1]
CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1nc(C(=O)[O-])cc(=O)[nH]1 O=C([O-])[*:1] CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1nc(cc(=O)[nH]1)[*:1]
CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1nc(C(=O)[O-])cc(=O)[nH]1 Clc1ccc(cc1)[*:1] CS(=O)(=O)N(Cc1nc(cc(=O)[nH]1)C(=O)[O-])C[*:1]
O=S(=O)(N[C@H](c1nccs1)C1CC1)c1c[nH]c2nccc(Cl)c12 c1csc(n1)[*:1] O=S(=O)(N[C@H](C1CC1)[*:1])c1c[nH]c2nccc(Cl)c12
O=S(=O)(N[C@H](c1nccs1)C1CC1)c1c[nH]c2nccc(Cl)c12 C1CC1[*:1] O=S(=O)(N[C@H](c1nccs1)[*:1])c1c[nH]c2nccc(Cl)c12
Cn1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)n1 Clc1ccc(s1)[*:1] Cn1ccc(n1)C(=O)Nc1nc(cs1)[*:1]
Cn1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)n1 Cn1ccc(n1)[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)s1)[*:1]
CCc1cn[nH]c1C1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 CCc1cn[nH]c1[*:1] O=C(c1cnc2ccccn2c1=O)N1CCC(CC1)[*:1]
CCS(=O)(=O)[N-]c1ccc(Nc2ccc([N+](=O)[O-])cc2F)cc1 O=[N+]([O-])[*:1] CCS(=O)(=O)[N-]c1ccc(cc1)Nc1ccc(cc1F)[*:1]
C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2cscn2)cc1 c1ccc(cc1)C[*:1] C=CCN(C[*:1])C(=O)c1ccc(cc1)-c1cscn1
C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] C=CCN(CCc1ccccc1)C(=O)c1ccc(cc1)[*:1]
C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2cscn2)cc1 C=CC[*:1] O=C(c1ccc(cc1)-c1cscn1)N(CCc1ccccc1)[*:1]
C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2cscn2)cc1 c1ccc(cc1)CC[*:1] C=CCN(C(=O)c1ccc(cc1)-c1cscn1)[*:1]
C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2cscn2)cc1 c1ccc(cc1)[*:1] C=CCN(CC[*:1])C(=O)c1ccc(cc1)-c1cscn1
CCOc1ccc(S(=O)(=O)[C@H](C[NH3+])c2cccs2)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)S(=O)(=O)[C@H](C[NH3+])[*:1]
CCOc1ccc(S(=O)(=O)[C@H](C[NH3+])c2cccs2)cc1 CCO[*:1] [NH3+]C[C@H](c1cccs1)S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 CCO[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc(F)c(F)c1F
CCC(CC)C(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 CCC(CC)[*:1] O=C(N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12)[*:1]
CCCCN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(COc1ccc(F)cc1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] CCCCN(C(=O)CO[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(COc1ccc(F)cc1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CN(CCOCC1CC1)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 C1CC1COC[*:1] CN(C[*:1])C(=O)[C@@H]1CC(=O)N(C1)c1cc(F)cc(F)c1
CN(CCOCC1CC1)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 Fc1cc(F)cc(c1)[*:1] CN(CCOCC1CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CN(CCOCC1CC1)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 C1CC1[*:1] CN(CCOC[*:1])C(=O)[C@@H]1CC(=O)N(C1)c1cc(F)cc(F)c1
CN(CCOCC1CC1)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 C1CC1CO[*:1] CN(CC[*:1])C(=O)[C@@H]1CC(=O)N(C1)c1cc(F)cc(F)c1
CN(CCOCC1CC1)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 C(C[*:1])OCC1CC1 CN(C(=O)[C@@H]1CC(=O)N(C1)c1cc(F)cc(F)c1)[*:1]
CN(CCOCC1CC1)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 C1CC1C[*:1] CN(CCO[*:1])C(=O)[C@@H]1CC(=O)N(C1)c1cc(F)cc(F)c1
CCN1CCO[C@@H](c2ncc(C(=O)[O-])s2)C1 O=C([O-])[*:1] CCN1CCO[C@H](C1)c1ncc(s1)[*:1]
CC(C)CCCCNC(=O)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(C)CCCCNC(=O)C[*:1]
CC(C)CCCCNC(=O)C[C@H]1CCCO1 CC(C)C[*:1] O=C(C[C@H]1CCCO1)NCCC[*:1]
CC(C)CCCCNC(=O)C[C@H]1CCCO1 CC(C)[*:1] O=C(C[C@H]1CCCO1)NCCCC[*:1]
CC(C)CCCCNC(=O)C[C@H]1CCCO1 CC(C)CC[*:1] O=C(C[C@H]1CCCO1)NCC[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O Cc1cccc(c1)C[*:1] CCC[C@@H]1C[C@@H]1NC(=O)c1cccn(c1=O)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O CCC[*:1] Cc1cccc(c1)Cn1cccc(C(=O)N[C@H]2C[C@H]2[*:1])c1=O
CCC[C@@H]1C[C@@H]1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O Cc1cccc(c1)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)c1cccn(C[*:1])c1=O
COc1ccc(C[NH+](Cc2n[nH]c(=O)[nH]2)C(C)(C)C)c(OC)c1 CC(C)(C)[*:1] COc1ccc(C[NH+](Cc2n[nH]c(=O)[nH]2)[*:1])c(c1)OC
CCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 CCO[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)[*:1])c1ccc(o1)[N+](=O)[O-]
CCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 O=[N+]([O-])c1ccc(o1)[*:1] CCOc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
CCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)-c1csc(n1)NC(=O)c1ccc(o1)[*:1]
O=C(NCc1csc(C2CC2)n1)Nc1ccc(-c2csnn2)cc1 c1snnc1[*:1] O=C(NCc1csc(n1)C1CC1)Nc1ccc(cc1)[*:1]
O=C(NCc1csc(C2CC2)n1)Nc1ccc(-c2csnn2)cc1 C1CC1[*:1] O=C(NCc1csc(n1)[*:1])Nc1ccc(cc1)-c1csnn1
O=C(NCc1csc(C2CC2)n1)Nc1ccc(-c2csnn2)cc1 c1sc(nc1[*:1])C1CC1 O=C(NC[*:1])Nc1ccc(cc1)-c1csnn1
C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccc2cccnc12 Fc1ccc(c(F)c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Nc1cccc2cccnc12
C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccc2cccnc12 Fc1ccc(C[*:1])c(F)c1 C[NH+](C)CCN(C(=O)Nc1cccc2cccnc12)[*:1]
O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cccc(OCC(F)F)n1 C1CC1[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1cccc(n1)OCC(F)F
O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cccc(n1)[*:1]
O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cccc(n1)O[*:1]
O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cccc(OCC(F)F)n1 FC(F)[*:1] O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cccc(n1)OC[*:1]
O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cccc(OCC(F)F)n1 O=C(NC1CC1)[*:1] O=C(c1cccc(n1)OCC(F)F)N1CCC[C@@H]1[*:1]
CCC[C@@H](C)N1C[C@H](C(=O)NCc2cc[nH+]c(N(C)C)c2)CC1=O CN(C)[*:1] CCC[C@@H](C)N1C[C@@H](CC1=O)C(=O)NCc1cc[nH+]c(c1)[*:1]
CCC[C@@H](C)N1C[C@H](C(=O)NCc2cc[nH+]c(N(C)C)c2)CC1=O CCC[C@@H](C)[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCC[C@@H](C)N1C[C@H](C(=O)NCc2cc[nH+]c(N(C)C)c2)CC1=O CCC[*:1] C[C@@H](N1C[C@@H](CC1=O)C(=O)NCc1cc[nH+]c(c1)N(C)C)[*:1]
O=C(NC(=S)Nc1ccccc1I)c1cccc2ccccc12 Ic1ccccc1[*:1] O=C(NC(=S)N[*:1])c1cccc2ccccc12
Cc1ncc(C(=O)NCCNc2cccc(F)c2C#N)s1 Cc1ncc(s1)[*:1] N#Cc1c(F)cccc1NCCNC(=O)[*:1]
CC(=O)Nc1ccc(NC(=S)Nc2ccc(C)cc2)cc1 CC(=O)N[*:1] Cc1ccc(cc1)NC(=S)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=S)Nc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=S)N[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 C1CC1[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2F)n1[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 Fc1ccccc1[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(n1C1CC1)[*:1]
CS(=O)(=O)c1ccccc1NC(=O)N1CCC[C@H]1C1CCCCC1 CS(=O)(=O)[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@H]1C1CCCCC1
CS(=O)(=O)c1ccccc1NC(=O)N1CCC[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] CS(=O)(=O)c1ccccc1NC(=O)N1CCC[C@@H]1[*:1]
Cc1ncccc1NC(=O)N1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] Cc1ncccc1NC(=O)N1CCN(CC1)[*:1]
Cc1ncccc1NC(=O)N1CCN(c2ccc(Cl)cn2)CC1 Cc1ncccc1[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(Cl)cn1
COc1ccc(F)c(NCC(=O)NCC(F)(F)F)c1 FC(F)(F)C[*:1] COc1ccc(F)c(c1)NCC(=O)N[*:1]
COc1ccc(F)c(NCC(=O)NCC(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(F)c(c1)NCC(=O)NC[*:1]
CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 CC(C)[*:1] O=C(Nc1ccc(c(F)c1)-n1cncn1)C(=O)N[C@H]1CCCC[C@H]1[*:1]
c1nc(CC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCCC[NH2+]2)c[nH]1 c1nc(c[nH]1)C[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCCC[C@H]1[NH2+]C[*:1]
c1nc(CC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCCC[NH2+]2)c[nH]1 c1nc(c[nH]1)[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCCC[C@H]1[NH2+]CC[*:1]
CCOC(=O)c1c(/N=C/c2cc(Br)ccc2F)sc2c1CCC2 CCOC(=O)[*:1] Fc1ccc(Br)cc1/C=N/c1sc2CCCc2c1[*:1]
COc1ccc([C@H]([NH2+]Cc2ccc(C)o2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H]([NH2+]Cc1ccc(C)o1)[*:1]
COc1ccc([C@H]([NH2+]Cc2ccc(C)o2)C(C)C)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)[C@H]([NH2+]C[*:1])C(C)C
CCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C O=C(CO)[*:1] CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)[*:1]
CCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C CCC(=O)O[*:1] C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(C(=O)CO)[*:1]
Cc1nc2c(NC[C@H]3CCCN(C(=O)C4CC4)C3)ncnc2o1 C1CC1[*:1] Cc1nc2c(ncnc2o1)NC[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(Cl)c(NC(=O)C[C@@H](O)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] Cc1ccc(Cl)c(c1)NC(=O)C[C@@H](O)[*:1]
CCc1n[nH]c(C(=O)N[C@H]2CCC[C@@H](c3c[nH]c4ccccc34)C2)c1C CCc1n[nH]c(c1C)[*:1] O=C(N[C@H]1CCC[C@H](C1)c1c[nH]c2ccccc12)[*:1]
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2sccc2c1=O Clc1cccc(c1Cl)[*:1] C=CCn1c(nc2sccc2c1=O)S[C@@H](C)C(=O)N[*:1]
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2sccc2c1=O C=CC[*:1] C[C@H](Sc1nc2sccc2c(=O)n1[*:1])C(=O)Nc1cccc(Cl)c1Cl
C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[*:1]
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC[C@H]3CCCO3)ccc2N2CC[NH2+]CC2)cc1Cl O=C(NC[C@H]1CCCO1)[*:1] Cc1ccc(cc1Cl)S(=O)(=O)Nc1cc(ccc1N1CC[NH2+]CC1)[*:1]
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC[C@H]3CCCO3)ccc2N2CC[NH2+]CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(NC[C@H]1CCCO1)c1ccc(c(c1)NS(=O)(=O)[*:1])N1CC[NH2+]CC1
O=C(CNC(=O)c1cc2c(s1)S(=O)(=O)CC2)NCc1ccco1 c1coc(c1)[*:1] O=C(CNC(=O)c1cc2CCS(=O)(=O)c2s1)NC[*:1]
O=C(CNC(=O)c1cc2c(s1)S(=O)(=O)CC2)NCc1ccco1 c1coc(c1)C[*:1] O=C(CNC(=O)c1cc2CCS(=O)(=O)c2s1)N[*:1]
O=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1N1CCCC1 C1CCN(C1)[*:1] O=[N+]([O-])c1cc(F)c(cc1[*:1])N1CCOCC1
O=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1N1CCCC1 O=[N+]([O-])[*:1] Fc1cc(c(cc1N1CCOCC1)N1CCCC1)[*:1]
O=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1N1CCCC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1cc(F)c(cc1N1CCCC1)[*:1]
O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1nc(-c2cccs2)cs1 c1csc(c1)[*:1] O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1nc(cs1)[*:1]
CC(C)c1cc(NC(=O)CN(C)CC(C)(C)C[NH3+])on1 CC(C)[*:1] CN(CC(=O)Nc1cc(no1)[*:1])CC(C)(C)C[NH3+]
c1ccc(-c2nnc(-c3ccccn3)nn2)nc1 c1ccc(nc1)[*:1] c1ccc(nc1)-c1nnc(nn1)[*:1]
CCc1noc(CC)c1CC(=O)Nc1nn(-c2ccccc2)cc1C c1ccc(cc1)[*:1] CCc1noc(CC)c1CC(=O)Nc1nn(cc1C)[*:1]
OC[C@H](CCOCC(F)(F)F)c1ccc(Cl)cc1 FC(F)(F)CO[*:1] OC[C@H](CC[*:1])c1ccc(Cl)cc1
OC[C@H](CCOCC(F)(F)F)c1ccc(Cl)cc1 FC(F)(F)[*:1] OC[C@H](CCOC[*:1])c1ccc(Cl)cc1
OC[C@H](CCOCC(F)(F)F)c1ccc(Cl)cc1 FC(F)(F)C[*:1] OC[C@H](CCO[*:1])c1ccc(Cl)cc1
CCn1nc(C)cc1C(=O)N1CCN(CCS(C)(=O)=O)CC1 CS(=O)(=O)[*:1] CCn1nc(C)cc1C(=O)N1CCN(CC1)CC[*:1]
CCn1nc(C)cc1C(=O)N1CCN(CCS(C)(=O)=O)CC1 CS(=O)(=O)C[*:1] CCn1nc(C)cc1C(=O)N1CCN(CC1)C[*:1]
CCn1nc(C)cc1C(=O)N1CCN(CCS(C)(=O)=O)CC1 CS(=O)(=O)CC[*:1] CCn1nc(C)cc1C(=O)N1CCN(CC1)[*:1]
Cc1cnn(Cc2ccc(NC(=O)c3c(O)cccc3O)cc2)c1 Oc1cccc(O)c1[*:1] Cc1cnn(c1)Cc1ccc(cc1)NC(=O)[*:1]
Cc1cnn(Cc2ccc(NC(=O)c3c(O)cccc3O)cc2)c1 Cc1cnn(c1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1c(O)cccc1O
Cc1cnn(Cc2ccc(NC(=O)c3c(O)cccc3O)cc2)c1 Cc1cnn(c1)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1c(O)cccc1O
Cc1ccc(SCC(=O)NCCCS(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1)SCC(=O)NCCC[*:1]
Cc1ccc(SCC(=O)NCCCS(N)(=O)=O)cc1 NS(=O)(=O)C[*:1] Cc1ccc(cc1)SCC(=O)NCC[*:1]
Cc1ccc(SCC(=O)NCCCS(N)(=O)=O)cc1 NS(=O)(=O)CC[*:1] Cc1ccc(cc1)SCC(=O)NC[*:1]
COC(=O)c1ccc(O[C@H]2CCO[C@]3(CCOC3)C2)cc1 COC(=O)[*:1] c1cc(ccc1O[C@H]1CCO[C@]2(CCOC2)C1)[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)[C@@H]3CCCN3C(=O)C(C)C)C2)cc1 COc1ccc(cc1)[*:1] CC(C)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](C[C@H]1C)[*:1]
COc1ccc([C@H]2C[C@@H](C)N(C(=O)[C@@H]3CCCN3C(=O)C(C)C)C2)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](C)N(C1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@H]12 CC(=O)O[*:1] C[C@]12CC[C@@H]3c4ccc(cc4CC[C@@H]3[C@H]1C[C@@H](Br)C2=O)[*:1]
CCC[C@@H](C)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 CCC[C@@H](C)[*:1] COc1ccc(OC)c(c1)-c1csc(n1)NC(=O)[*:1]
CCC[C@@H](C)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 CCC[*:1] COc1ccc(OC)c(c1)-c1csc(n1)NC(=O)[C@H](C)[*:1]
C[C@H]1OCC[C@H]1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] C[C@H]1OCC[C@H]1C(=O)NC[C@H](NC(=O)O[*:1])c1ccccc1
C[C@H]1OCC[C@H]1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)NC[C@H](NC(=O)OC(C)(C)C)[*:1]
C[C@H]1OCC[C@H]1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 CC(C)(C)OC(=O)N[*:1] C[C@H]1OCC[C@H]1C(=O)NC[C@H](c1ccccc1)[*:1]
CN(C)[C@@H](C(=O)NC1(CN2CCOCC2)CCCC1)c1cccc(F)c1 C1CN(CCO1)[*:1] CN(C)[C@@H](C(=O)NC1(CCCC1)C[*:1])c1cccc(F)c1
CN(C)[C@@H](C(=O)NC1(CN2CCOCC2)CCCC1)c1cccc(F)c1 CN(C)[*:1] O=C(NC1(CCCC1)CN1CCOCC1)[C@@H](c1cccc(F)c1)[*:1]
CN(C)[C@@H](C(=O)NC1(CN2CCOCC2)CCCC1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(C)[C@@H](C(=O)NC1(CCCC1)CN1CCOCC1)[*:1]
CN(C)[C@@H](C(=O)NC1(CN2CCOCC2)CCCC1)c1cccc(F)c1 C1CN(CCO1)C[*:1] CN(C)[C@@H](C(=O)NC1(CCCC1)[*:1])c1cccc(F)c1
CC[C@@H](C(=O)[O-])c1cc(Br)ccc1F O=C([O-])[*:1] CC[C@@H](c1cc(Br)ccc1F)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCCN1C(=O)CN(C)C1=O Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)CCCN1C(=O)CN(C)C1=O)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCCN1C(=O)CN(C)C1=O CN1CC(=O)N(C1=O)[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCC[*:1]
FC(F)(F)c1cccc(CNc2cccc[nH+]2)c1 FC(F)(F)[*:1] c1ccc(NCc2cccc(c2)[*:1])[nH+]c1
CCO[C@@H]1CC[C@]([NH2+]C(C)C)(C(N)=O)C1 CC(C)[*:1] CCO[C@@H]1CC[C@](C1)([NH2+][*:1])C(N)=O
CCO[C@@H]1CC[C@]([NH2+]C(C)C)(C(N)=O)C1 NC(=O)[*:1] CCO[C@@H]1CC[C@@](C1)([NH2+]C(C)C)[*:1]
CCO[C@@H]1CC[C@]([NH2+]C(C)C)(C(N)=O)C1 CCO[*:1] CC(C)[NH2+][C@@]1(CC[C@H](C1)[*:1])C(N)=O
COC(=O)C[C@@H]1Oc2ccccc2N(Cc2coc(C)n2)C1=O Cc1nc(co1)[*:1] COC(=O)C[C@@H]1Oc2ccccc2N(C[*:1])C1=O
COC(=O)C[C@@H]1Oc2ccccc2N(Cc2coc(C)n2)C1=O COC(=O)[*:1] Cc1nc(co1)CN1C(=O)[C@H](C[*:1])Oc2ccccc21
COC(=O)C[C@@H]1Oc2ccccc2N(Cc2coc(C)n2)C1=O COC(=O)C[*:1] Cc1nc(co1)CN1C(=O)[C@@H](Oc2ccccc21)[*:1]
COC(=O)C[C@@H]1Oc2ccccc2N(Cc2coc(C)n2)C1=O Cc1nc(co1)C[*:1] COC(=O)C[C@@H]1Oc2ccccc2N(C1=O)[*:1]
COC(=O)CN(Cc1c(-c2ccccc2)nn(C)c1Cl)C(C)C c1ccc(cc1)[*:1] COC(=O)CN(Cc1c(nn(C)c1Cl)[*:1])C(C)C
COC(=O)CN(Cc1c(-c2ccccc2)nn(C)c1Cl)C(C)C CC(C)[*:1] COC(=O)CN(Cc1c(nn(C)c1Cl)-c1ccccc1)[*:1]
COC(=O)CN(Cc1c(-c2ccccc2)nn(C)c1Cl)C(C)C COC(=O)[*:1] CC(C)N(Cc1c(nn(C)c1Cl)-c1ccccc1)C[*:1]
COC(=O)CN(Cc1c(-c2ccccc2)nn(C)c1Cl)C(C)C COC(=O)C[*:1] CC(C)N(Cc1c(nn(C)c1Cl)-c1ccccc1)[*:1]
CCC[C@H]1C[C@@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 CCC[*:1] Fc1ccc(cc1)CCN1CCC(CC1)[NH2+][C@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCC[C@H]1C[C@@H]1[NH2+]C1CCN(CC1)CC[*:1]
COC(=O)[C@]1(F)CCN(C(=O)Nc2ncc(-c3ccccc3)s2)C1 COC(=O)[*:1] O=C(Nc1ncc(s1)-c1ccccc1)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)Nc2ncc(-c3ccccc3)s2)C1 c1ccc(cc1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)Nc1ncc(s1)[*:1]
Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 Cc1nn(C)c(C)c1[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-c1ccc(F)cc1
Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C1C[C@@H](CC2Nc3nonc3N[C@@H](C=21)[*:1])c1cccs1
COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1 c1csc(c1)[*:1] COc1ccc(c(c1)OC)[C@H]1Nc2nonc2NC2C[C@@H](CC(=O)C=21)[*:1]
CCCCC1CCC(NC(=O)NCc2ncn(C)n2)CC1 CCCC[*:1] Cn1cnc(CNC(=O)NC2CCC(CC2)[*:1])n1
CCCCC1CCC(NC(=O)NCc2ncn(C)n2)CC1 Cn1cnc(C[*:1])n1 CCCCC1CCC(CC1)NC(=O)N[*:1]
CCCCC1CCC(NC(=O)NCc2ncn(C)n2)CC1 Cn1cnc(n1)[*:1] CCCCC1CCC(CC1)NC(=O)NC[*:1]
CCCCC1CCC(NC(=O)NCc2ncn(C)n2)CC1 CCC[*:1] Cn1cnc(CNC(=O)NC2CCC(CC2)C[*:1])n1
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCN(CC(F)(F)F)CC3)cc12 c1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)N1CCCN(CC1)CC(F)(F)F)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCN(CC(F)(F)F)CC3)cc12 FC(F)(F)C[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N1CCCN(CC1)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCN(CC(F)(F)F)CC3)cc12 FC(F)(F)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N1CCCN(CC1)C[*:1]
C[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O N#Cc1ccc(cc1)[*:1] C[C@H](C(=O)N(C)C[*:1])N1C(=O)[C@H]2CCCC[C@H]2C1=O
C[C@H](CO)NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 Fc1ccccc1[*:1] C[C@H](CO)NC(=O)NCc1ccc(O[*:1])c(F)c1
C[C@H](CO)NC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 Fc1ccccc1O[*:1] C[C@H](CO)NC(=O)NCc1ccc(c(F)c1)[*:1]
CC[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1nc(C)cs1 NC(=O)C[*:1] CC[C@H](NC(=O)c1cn(nn1)[*:1])c1nc(C)cs1
CC[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1nc(C)cs1 NC(=O)[*:1] CC[C@H](NC(=O)c1cn(C[*:1])nn1)c1nc(C)cs1
CC[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)c1cn(CC(N)=O)nn1)[*:1]
CCSCCN1C=N[C@H]2C([O-])=NC(Nc3ccc(Cl)cc3)=NC(=O)[C@@H]21 Clc1ccc(cc1)[*:1] CCSCCN1C=N[C@H]2C([O-])=NC(=NC(=O)[C@@H]21)N[*:1]
CCSCCN1C=N[C@H]2C([O-])=NC(Nc3ccc(Cl)cc3)=NC(=O)[C@@H]21 CCSC[*:1] O=C1N=C(N=C([O-])[C@@H]2N=CN(C[*:1])[C@@H]12)Nc1ccc(Cl)cc1
CCSCCN1C=N[C@H]2C([O-])=NC(Nc3ccc(Cl)cc3)=NC(=O)[C@@H]21 CCSCC[*:1] O=C1N=C(N=C([O-])[C@@H]2N=CN([C@@H]12)[*:1])Nc1ccc(Cl)cc1
CCSCCN1C=N[C@H]2C([O-])=NC(Nc3ccc(Cl)cc3)=NC(=O)[C@@H]21 CCS[*:1] O=C1N=C(N=C([O-])[C@@H]2N=CN(CC[*:1])[C@@H]12)Nc1ccc(Cl)cc1
CCOC(=O)N1CCC[C@H](C(=O)O[C@@H](C#N)C2CC2)C1 C1CC1[*:1] CCOC(=O)N1CCC[C@@H](C1)C(=O)O[C@@H](C#N)[*:1]
COC(=O)c1cccc(NCCCc2nc3ccccc3n2C)n1 COC(=O)[*:1] Cn1c(CCCNc2cccc(n2)[*:1])nc2ccccc21
COc1ccc(Cl)c(NC(=O)C(=O)N(C)Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)C[*:1] COc1ccc(Cl)c(c1)NC(=O)C(=O)N(C)[*:1]
COc1ccc(Cl)c(NC(=O)C(=O)N(C)Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1ccc(Cl)c(c1)NC(=O)C(=O)N(C)C[*:1]
Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 Clc1ccc(s1)[*:1] Cc1cccc(c1)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 Cc1cccc(c1)[*:1] O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H]1[*:1]
CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)c3nc4ccccc4n3C)oc12 CCO[*:1] C[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1cc2cccc(c2o1)[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)c1cnc([C@H]2CCCO2)s1 c1cc(ccn1)[*:1] CC[C@H](N(C)C(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] CC[C@H](c1ccncc1)N(C)C(=O)c1cnc(s1)[*:1]
Cc1cccc(CNC(=O)c2[nH]nc(C3CC3)c2Cl)c1 C1CC1[*:1] Cc1cccc(c1)CNC(=O)c1[nH]nc(c1Cl)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CC2CCCCCC2)C1 C1CCCC(CC1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)C[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CC2CCCCCC2)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)C(=O)CC1CCCCCC1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CC2CCCCCC2)C1 COC(=O)C(C)(C)[*:1] O=C(CC1CCCCCC1)N1CCC[C@@H](C1)[*:1]
C[C@@H](CNC(=O)Nc1ccccc1-n1cccn1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)Nc1ccccc1-n1cccn1)[*:1]
C[C@@H](CNC(=O)Nc1ccccc1-n1cccn1)c1ccccc1 c1cnn(c1)[*:1] C[C@@H](CNC(=O)Nc1ccccc1[*:1])c1ccccc1
C[C@@H](CNC(=O)Nc1ccccc1-n1cccn1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NC[*:1])Nc1ccccc1-n1cccn1
CCc1nc2n(n1)CCC[C@H]2NC(=O)CN(C)S(=O)(=O)CC CCS(=O)(=O)N(C)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)C[*:1]
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C(C(=O)N[*:1])=C(C)Nc2nnnn21
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1 COc1ccc(cc1)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)Nc1ccccc1)[*:1]
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nnnn32)cc1 O=C(Nc1ccccc1)[*:1] COc1ccc(cc1)[C@H]1C(=C(C)Nc2nnnn21)[*:1]
O=C(CCNC(=O)c1ccc(F)cc1F)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(CCNC(=O)c1ccc(F)cc1F)N[*:1]
Cc1cccc(OCC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1cccc(OCC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)CO[*:1]
Cc1cccc(OCC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 Cc1cccc(c1)O[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)C[*:1]
c1c[nH]c(C[NH+]2CCC(n3cc(-c4ccsc4)nn3)CC2)n1 c1c[nH]c(C[*:1])n1 c1cc(cs1)-c1cn(nn1)C1CC[NH+](CC1)[*:1]
c1c[nH]c(C[NH+]2CCC(n3cc(-c4ccsc4)nn3)CC2)n1 c1c[nH]c(n1)[*:1] c1cc(cs1)-c1cn(nn1)C1CC[NH+](CC1)C[*:1]
c1c[nH]c(C[NH+]2CCC(n3cc(-c4ccsc4)nn3)CC2)n1 c1cc(cs1)[*:1] c1c[nH]c(C[NH+]2CCC(CC2)n2cc(nn2)[*:1])n1
Cc1ccc2c(c1)CCN2C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] Cc1ccc2c(c1)CCN2C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
COc1ccc([C@H](C)C(=O)NC[C@@H](C)Oc2ccccc2F)cc1 Fc1ccccc1O[*:1] COc1ccc(cc1)[C@H](C)C(=O)NC[C@@H](C)[*:1]
COc1ccc([C@H](C)C(=O)NC[C@@H](C)Oc2ccccc2F)cc1 COc1ccc(cc1)[*:1] C[C@H](C(=O)NC[C@@H](C)Oc1ccccc1F)[*:1]
COc1ccc([C@H](C)C(=O)NC[C@@H](C)Oc2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)[C@H](C)C(=O)NC[C@@H](C)O[*:1]
C[C@H](CNC(=O)NCCC(=O)NC1CCCCC1)N1CCc2ccccc21 C1CCC(CC1)[*:1] C[C@H](CNC(=O)NCCC(=O)N[*:1])N1CCc2ccccc21
C[C@H](CNC(=O)NCCC(=O)NC1CCCCC1)N1CCc2ccccc21 O=C(NC1CCCCC1)[*:1] C[C@H](CNC(=O)NCC[*:1])N1CCc2ccccc21
C[C@H](CNC(=O)NCCC(=O)NC1CCCCC1)N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] C[C@H](CNC(=O)NCCC(=O)NC1CCCCC1)[*:1]
Cc1nnc(C[NH+](C)Cc2nc3c(F)cccc3[nH]2)n1C Cc1nnc(n1C)[*:1] C[NH+](Cc1nc2c(F)cccc2[nH]1)C[*:1]
CCC(=O)N1CCc2ccc(O[C@H](C)C(=O)NCc3ccc(F)cc3)cc2[C@@H]1c1cccc(F)c1 O=C(NCc1ccc(F)cc1)[*:1] CCC(=O)N1CCc2ccc(cc2[C@@H]1c1cccc(F)c1)O[C@H](C)[*:1]
CCC(=O)N1CCc2ccc(O[C@H](C)C(=O)NCc3ccc(F)cc3)cc2[C@@H]1c1cccc(F)c1 Fc1ccc(cc1)[*:1] CCC(=O)N1CCc2ccc(cc2[C@@H]1c1cccc(F)c1)O[C@H](C)C(=O)NC[*:1]
CCC(=O)N1CCc2ccc(O[C@H](C)C(=O)NCc3ccc(F)cc3)cc2[C@@H]1c1cccc(F)c1 Fc1ccc(cc1)C[*:1] CCC(=O)N1CCc2ccc(cc2[C@@H]1c1cccc(F)c1)O[C@H](C)C(=O)N[*:1]
CCC(=O)N1CCc2ccc(O[C@H](C)C(=O)NCc3ccc(F)cc3)cc2[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCC(=O)N1CCc2ccc(cc2[C@H]1[*:1])O[C@H](C)C(=O)NCc1ccc(F)cc1
CNC(=O)[C@@H](C)NC(=O)c1cccc(SCC#N)c1 N#CC[*:1] CNC(=O)[C@@H](C)NC(=O)c1cccc(c1)S[*:1]
CNC(=O)[C@@H](C)NC(=O)c1cccc(SCC#N)c1 CNC(=O)[*:1] C[C@@H](NC(=O)c1cccc(c1)SCC#N)[*:1]
CNC(=O)[C@@H](C)NC(=O)c1cccc(SCC#N)c1 N#CCS[*:1] CNC(=O)[C@@H](C)NC(=O)c1cccc(c1)[*:1]
CNC(=O)[C@@H](C)NC(=O)c1cccc(SCC#N)c1 CNC(=O)[C@@H](C)[*:1] N#CCSc1cccc(c1)C(=O)N[*:1]
CCc1cccc(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CCc1cccc(c1)NC(=O)C[C@@H](C)NC(=O)[*:1]
O=C(Cc1cccnc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1 c1cncc(c1)C[*:1] O=C1CC[C@H]2CN(CC[C@H]2N1CCC1=CCCCC1)C(=O)[*:1]
O=C(Cc1cccnc1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1 c1cncc(c1)[*:1] O=C(C[*:1])N1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1
COc1ccccc1[C@H](C)N[C@@H](C(=O)N1CCOCC1)C(C)C CC(C)[*:1] COc1ccccc1[C@H](C)N[C@@H](C(=O)N1CCOCC1)[*:1]
CN(C)C(=O)[C@@H]1CCCN(C(=O)Nc2cncc3ccccc23)C1 CN(C)C(=O)[*:1] O=C(Nc1cncc2ccccc12)N1CCC[C@H](C1)[*:1]
COC[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2F)C1 COC[*:1] O=C(c1c[nH]nc1-c1ccccc1F)N1CCC[C@@H](C1)[*:1]
COC[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2F)C1 Fc1ccccc1[*:1] COC[C@H]1CCCN(C1)C(=O)c1c[nH]nc1[*:1]
CCOc1ccc(C(C)=O)cc1NC(=O)N1CCCC[C@@H]1c1cccnc1 c1cncc(c1)[*:1] CCOc1ccc(cc1NC(=O)N1CCCC[C@H]1[*:1])C(C)=O
CCOc1ccc(C(C)=O)cc1NC(=O)N1CCCC[C@@H]1c1cccnc1 CC(=O)[*:1] CCOc1ccc(cc1NC(=O)N1CCCC[C@@H]1c1cccnc1)[*:1]
CCOc1ccc(C(C)=O)cc1NC(=O)N1CCCC[C@@H]1c1cccnc1 CCO[*:1] CC(=O)c1ccc(c(c1)NC(=O)N1CCCC[C@@H]1c1cccnc1)[*:1]
Cc1cc(C)c2c(c1)C(=O)C(=O)N2CCOc1ccccc1Cl Clc1ccccc1[*:1] Cc1cc(C)c2c(c1)C(=O)C(=O)N2CCO[*:1]
CCOC(=O)NNC(=O)c1sc(-c2ccccc2)cc1OC c1ccc(cc1)[*:1] CCOC(=O)NNC(=O)c1sc(cc1OC)[*:1]
CCc1cc(CNC(=O)CS(=O)(=O)C2CCCC2)on1 C1CCC(C1)[*:1] CCc1cc(CNC(=O)CS(=O)(=O)[*:1])on1
C=CCCCOC(F)(F)C(=O)[O-] C=CCC[*:1] O=C([O-])C(F)(F)OC[*:1]
C=CCCCOC(F)(F)C(=O)[O-] O=C([O-])[*:1] C=CCCCOC(F)(F)[*:1]
C=CCCCOC(F)(F)C(=O)[O-] C=CC[*:1] O=C([O-])C(F)(F)OCC[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCC(C(=O)NC)CC2)c1C1CC1 CNC(=O)[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC(CC2)[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)N2CCC(C(=O)NC)CC2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC(CC2)C(=O)NC)c1[*:1]
Cc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1Br CC(C)(C)[*:1] Cc1cc(ccc1Br)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C)cc1F COC(=O)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)Nc1ccc(c(F)c1)[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 Fc1ccc(cc1Cl)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(C1)[*:1]
O=C(OC[C@@H]1CCCO1)c1ccc(C(F)(F)F)nc1 C1CO[C@@H](C1)C[*:1] O=C(O[*:1])c1ccc(nc1)C(F)(F)F
O=C(OC[C@@H]1CCCO1)c1ccc(C(F)(F)F)nc1 C1CO[C@@H](C1)[*:1] O=C(OC[*:1])c1ccc(nc1)C(F)(F)F
O=C(OC[C@@H]1CCCO1)c1ccc(C(F)(F)F)nc1 FC(F)(F)[*:1] O=C(OC[C@@H]1CCCO1)c1ccc(nc1)[*:1]
Cc1ccc(C[C@@H](C)NC(=O)c2c(C)nn(CCCl)c2C)c(C)c1 ClCC[*:1] Cc1ccc(C[C@@H](C)NC(=O)c2c(C)nn(c2C)[*:1])c(C)c1
Cc1ccc(C[C@@H](C)NC(=O)c2c(C)nn(CCCl)c2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)C[*:1]
C=CCn1c(COc2ccccc2F)nnc1Sc1nc2ccccc2o1 Fc1ccccc1[*:1] C=CCn1c(CO[*:1])nnc1Sc1nc2ccccc2o1
C=CCn1c(COc2ccccc2F)nnc1Sc1nc2ccccc2o1 Fc1ccccc1OC[*:1] C=CCn1c(nnc1[*:1])Sc1nc2ccccc2o1
C=CCn1c(COc2ccccc2F)nnc1Sc1nc2ccccc2o1 C=CC[*:1] Fc1ccccc1OCc1nnc(Sc2nc3ccccc3o2)n1[*:1]
C=CCn1c(COc2ccccc2F)nnc1Sc1nc2ccccc2o1 Fc1ccccc1O[*:1] C=CCn1c(C[*:1])nnc1Sc1nc2ccccc2o1
C=CCn1c(COc2ccccc2F)nnc1Sc1nc2ccccc2o1 c1ccc2oc(nc2c1)[*:1] C=CCn1c(COc2ccccc2F)nnc1S[*:1]
Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)N1CCCCCC1 Clc1ccc(cc1)[*:1] Cc1nc(NC(=O)N[*:1])sc1C(=O)N1CCCCCC1
COC(=O)COc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1Br COC(=O)[*:1] O=C1NC(=O)/C(=C\c2cc(Br)c(OC[*:1])c(Br)c2)N1
COC(=O)COc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1Br COC(=O)CO[*:1] O=C1NC(=O)/C(=C\c2cc(Br)c(c(Br)c2)[*:1])N1
COC(=O)COc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1Br COC(=O)C[*:1] O=C1NC(=O)/C(=C\c2cc(Br)c(O[*:1])c(Br)c2)N1
COCC[C@@H](C)C(=O)Nc1ccc2c(c1)CCO2 COCC[C@@H](C)[*:1] O=C(Nc1ccc2OCCc2c1)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc2c(c1)CCO2 COC[*:1] C[C@H](C[*:1])C(=O)Nc1ccc2OCCc2c1
COCC[C@@H](C)C(=O)Nc1ccc2c(c1)CCO2 COCC[*:1] C[C@@H](C(=O)Nc1ccc2OCCc2c1)[*:1]
CCc1nc(CC)n(C[C@@H](O)COc2cccc(Br)c2)n1 Brc1cccc(c1)[*:1] CCc1nc(CC)n(C[C@@H](O)CO[*:1])n1
CC(C)CC(=O)N1CC[NH2+][C@H](C)C1 CC(C)C[*:1] C[C@@H]1CN(CC[NH2+]1)C(=O)[*:1]
CC(C)CC(=O)N1CC[NH2+][C@H](C)C1 CC(C)[*:1] C[C@@H]1CN(CC[NH2+]1)C(=O)C[*:1]
Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(I)cc3)N(C)C2=O)cc1C Ic1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)C[C@H]1SC(=N[*:1])N(C)C1=O
Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(I)cc3)N(C)C2=O)cc1C Cc1ccc(cc1C)[*:1] CN1C(=O)[C@@H](CC(=O)N[*:1])S/C1=N/c1ccc(I)cc1
CS(=O)(=O)N1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 O=[N+]([O-])[*:1] CS(=O)(=O)N1CCC(CC1)CNC(=O)c1cc(ccc1Cl)[*:1]
CS[C@H](CNC(=O)NCCNC(C)=O)c1cccc(Cl)c1 CC(=O)NCC[*:1] CS[C@H](CNC(=O)N[*:1])c1cccc(Cl)c1
CS[C@H](CNC(=O)NCCNC(C)=O)c1cccc(Cl)c1 CC(=O)N[*:1] CS[C@H](CNC(=O)NCC[*:1])c1cccc(Cl)c1
CS[C@H](CNC(=O)NCCNC(C)=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CS[C@H](CNC(=O)NCCNC(C)=O)[*:1]
CS[C@H](CNC(=O)NCCNC(C)=O)c1cccc(Cl)c1 CC(=O)NC[*:1] CS[C@H](CNC(=O)NC[*:1])c1cccc(Cl)c1
CCOc1cccc(CNC(=O)c2cccc(C#N)c2)c1 CCO[*:1] N#Cc1cccc(c1)C(=O)NCc1cccc(c1)[*:1]
O=[N+]([O-])c1c[n+]([O-])n(-c2ccc3c(c2)OCCO3)n1 O=[N+]([O-])[*:1] [O-][n+]1cc(nn1-c1ccc2OCCOc2c1)[*:1]
C[C@@H](NC(=O)NCCNC(=O)c1ccccc1F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCCNC(=O)c1ccccc1F)[*:1]
C[C@@H](NC(=O)NCCNC(=O)c1ccccc1F)c1ccc(F)cc1 Fc1ccccc1[*:1] C[C@@H](NC(=O)NCCNC(=O)[*:1])c1ccc(F)cc1
COc1ccc([C@H]2C[C@H]2C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)[C@@H](C)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2[*:1])[C@@H](C)C1
COc1ccc([C@H]2C[C@H]2C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)[C@@H](C)C2)cc1 COc1ccc(cc1)[C@@H]1C[C@@H]1[*:1] COc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1CCN(C(=O)[*:1])[C@@H](C)C1
COc1ccc([C@H]2C[C@H]2C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)[C@@H](C)C2)cc1 COc1ccc(cc1)[C@H]1C[C@@H]1[*:1] COc1ccc(cc1)[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@@H]1C)C(=O)[*:1]
COc1ccc([C@H]2C[C@H]2C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(OC)cc3)[C@@H](C)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C[C@@H]1C(=O)N1CCN(C[C@@H]1C)C(=O)[C@@H]1C[C@@H]1[*:1]
O=C([C@H](O)c1ccccc1)N1CC2(CC2)c2ccccc21 c1ccc(cc1)[*:1] O=C([C@H](O)[*:1])N1CC2(CC2)c2ccccc21
CNC(=O)c1cccc(C[S@@](=O)CC(=O)NCc2cccs2)c1 CNC(=O)[*:1] O=C(C[S@](=O)Cc1cccc(c1)[*:1])NCc1cccs1
CNC(=O)c1cccc(C[S@@](=O)CC(=O)NCc2cccs2)c1 c1csc(c1)[*:1] CNC(=O)c1cccc(c1)C[S@@](=O)CC(=O)NC[*:1]
CNC(=O)c1cccc(C[S@@](=O)CC(=O)NCc2cccs2)c1 c1csc(c1)C[*:1] CNC(=O)c1cccc(c1)C[S@@](=O)CC(=O)N[*:1]
CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccn3)cc2)C1=O c1ccc(nc1)[*:1] CC1(C)CS(=O)(=O)N(C1=O)c1ccc(cc1)C(=O)NC[*:1]
CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccn3)cc2)C1=O c1ccc(C[*:1])nc1 CC1(C)CS(=O)(=O)N(C1=O)c1ccc(cc1)C(=O)N[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)Nc3cn(C)c(=O)cc3C)CC2)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc(=O)n(C)cc1NC(=O)N1CC=C(CC1)[*:1]
CCOC(=O)Cn1nc(SCC)n2c(=O)c3c(nc12)-c1ccccc1C[C@]3(C)CC CCS[*:1] CCOC(=O)Cn1nc(n2c(=O)c3c(nc12)-c1ccccc1C[C@]3(C)CC)[*:1]
CCOC(=O)Cn1nc(SCC)n2c(=O)c3c(nc12)-c1ccccc1C[C@]3(C)CC CCOC(=O)[*:1] CCSc1nn(C[*:1])c2nc3-c4ccccc4C[C@](C)(CC)c3c(=O)n12
CCOC(=O)Cn1nc(SCC)n2c(=O)c3c(nc12)-c1ccccc1C[C@]3(C)CC CCOC(=O)C[*:1] CCSc1nn(c2nc3-c4ccccc4C[C@](C)(CC)c3c(=O)n12)[*:1]
CCc1c(C)nc2n(c1=O)[C@@H](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CS2 FC(F)(F)[*:1] CCc1c(C)nc2SC[C@H](CC(=O)Nc3cc(cc(c3)[*:1])C(F)(F)F)n2c1=O
N#Cc1ccc(OC(=O)C[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] N#Cc1ccc(cc1)OC(=O)C[*:1]
COc1ccc(Cl)c2sc(N3CCN(C(=O)Cc4cccs4)CC3)nc12 c1csc(c1)[*:1] COc1ccc(Cl)c2sc(nc12)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(Cl)c2sc(N3CCN(C(=O)Cc4cccs4)CC3)nc12 c1csc(c1)C[*:1] COc1ccc(Cl)c2sc(nc12)N1CCN(CC1)C(=O)[*:1]
O=C(NCc1ccnc(-n2ccnc2)c1)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] O=C(NCc1ccnc(c1)-n1ccnc1)c1ccc(cc1)C[*:1]
O=C(NCc1ccnc(-n2ccnc2)c1)c1ccc(CN2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1C[*:1] O=C(NCc1ccnc(c1)-n1ccnc1)c1ccc(cc1)[*:1]
O=C(NCc1ccnc(-n2ccnc2)c1)c1ccc(CN2C(=O)CCC2=O)cc1 c1cn(cn1)[*:1] O=C(NCc1ccnc(c1)[*:1])c1ccc(cc1)CN1C(=O)CCC1=O
Cc1cc2cc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)ccc2o1 Fc1ccc(cc1)[*:1] Cc1cc2cc(ccc2o1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CC[C@@H]1CCc2c(sc(=O)n2CN2CCC(C(=O)N(C)C(C)C)CC2)C1 CC(C)[*:1] CC[C@@H]1CCc2c(C1)sc(=O)n2CN1CCC(CC1)C(=O)N(C)[*:1]
CC[C@@H]1CCc2c(sc(=O)n2CN2CCC(C(=O)N(C)C(C)C)CC2)C1 CC(C)N(C)C(=O)[*:1] CC[C@@H]1CCc2c(C1)sc(=O)n2CN1CCC(CC1)[*:1]
NC(=O)C[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)C1CCOCC1 C1CC(CCO1)[*:1] NC(=O)C[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)[*:1]
NC(=O)C[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)C1CCOCC1 NC(=O)[*:1] O=C(N[C@H](C[*:1])C1CCOCC1)c1c(F)c(F)cc(F)c1F
NC(=O)C[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)C1CCOCC1 NC(=O)C[*:1] O=C(N[C@@H](C1CCOCC1)[*:1])c1c(F)c(F)cc(F)c1F
CC(C)c1cc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)n(C)n1 Clc1ccc(cc1)[*:1] CC(C)c1cc(C(=O)NCCNC(=O)[*:1])n(C)n1
CC(C)c1cc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)NCCNC(=O)c1ccc(Cl)cc1)[*:1]
CN(Cc1ccccn1)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 FC(F)(F)O[*:1] CN(Cc1ccccn1)C(=O)c1cc2ccc(cc2[nH]1)[*:1]
CN(Cc1ccccn1)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 c1ccc(C[*:1])nc1 CN(C(=O)c1cc2ccc(cc2[nH]1)OC(F)(F)F)[*:1]
CN(Cc1ccccn1)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 c1ccc(nc1)[*:1] CN(C[*:1])C(=O)c1cc2ccc(cc2[nH]1)OC(F)(F)F
CN(Cc1ccccn1)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 FC(F)(F)[*:1] CN(Cc1ccccn1)C(=O)c1cc2ccc(cc2[nH]1)O[*:1]
O=S(=O)(CS(=O)(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(CS(=O)(=O)[*:1])c1ccccc1
CCOC(=O)C1(C)CCN(C(=O)C[C@H](C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)C[C@H](C)[*:1]
CCOC(=O)C1(C)CCN(C(=O)C[C@H](C)c2ccccc2)CC1 CCOC(=O)[*:1] C[C@@H](CC(=O)N1CCC(C)(CC1)[*:1])c1ccccc1
CCOC(=O)[C@H]1CCCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2)C1 CCOC(=O)[*:1] O=C(Nc1ccc2nc(cc(C(=O)[O-])c2c1)N1CCC[C@@H](C1)[*:1])c1ccc(Cl)cc1
CCOC(=O)[C@H]1CCCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2)C1 Clc1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCN(C1)c1cc(C(=O)[O-])c2cc(ccc2n1)NC(=O)[*:1]
CCOC(=O)[C@H]1CCCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2)C1 O=C([O-])[*:1] CCOC(=O)[C@H]1CCCN(C1)c1cc(c2cc(ccc2n1)NC(=O)c1ccc(Cl)cc1)[*:1]
CCOC(=O)[C@H]1CCCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2)C1 O=C(N[*:1])c1ccc(Cl)cc1 CCOC(=O)[C@H]1CCCN(C1)c1cc(C(=O)[O-])c2cc(ccc2n1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1cccc(OC(C)C)n1 CC(C)[*:1] CC[C@@H](CSC)N(C)C(=O)c1cccc(n1)O[*:1]
CC[C@@H](CSC)N(C)C(=O)c1cccc(OC(C)C)n1 CC(C)O[*:1] CC[C@@H](CSC)N(C)C(=O)c1cccc(n1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1cccc(OC(C)C)n1 CSC[*:1] CC[C@@H](N(C)C(=O)c1cccc(n1)OC(C)C)[*:1]
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccccc1OC(F)F O=C([O-])[*:1] O=C(Nc1ccccc1OC(F)F)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1[*:1]
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccccc1OC(F)F FC(F)O[*:1] O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccccc1[*:1]
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccccc1OC(F)F FC(F)[*:1] O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccccc1O[*:1]
Cc1ccccc1[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1[C@@H](C)NC(=O)CCNS(=O)(=O)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1 Cc1ccccc1[*:1] C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)[*:1]
CCCn1nccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] CCC[*:1] O=C(Nc1ccnn1[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
CCCn1nccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCn1nccc1NC(=O)c1cc(Cl)ccc1[*:1]
C[C@H](CCO)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 C[C@H](CCO)C[*:1] O=C(Nc1ccn(n1)-c1ccc(Cl)cc1Cl)N[*:1]
C[C@H](CCO)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 C[C@H](CCO)[*:1] O=C(NC[*:1])Nc1ccn(n1)-c1ccc(Cl)cc1Cl
C[C@H](CCO)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 OCC[*:1] C[C@H](CNC(=O)Nc1ccn(n1)-c1ccc(Cl)cc1Cl)[*:1]
CCCCOc1ccccc1NC(=O)c1cnc([C@@H]2CCCO2)s1 CCC[*:1] O=C(Nc1ccccc1OC[*:1])c1cnc(s1)[C@@H]1CCCO1
CCCCOc1ccccc1NC(=O)c1cnc([C@@H]2CCCO2)s1 CCCCO[*:1] O=C(Nc1ccccc1[*:1])c1cnc(s1)[C@@H]1CCCO1
CCCCOc1ccccc1NC(=O)c1cnc([C@@H]2CCCO2)s1 CCCC[*:1] O=C(Nc1ccccc1O[*:1])c1cnc(s1)[C@@H]1CCCO1
C[C@@H](SC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@@H](SC1=NC(=O)C2C(=N1)S[C@H]1CCCCC=21)[*:1]
C[C@@H](SC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1)C(=O)NC1CC1 C1CC1[*:1] C[C@@H](SC1=NC(=O)C2C(=N1)S[C@H]1CCCCC=21)C(=O)N[*:1]
C#CCNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 C#CC[*:1] O=C(CSc1ccccc1C(=O)N[*:1])NC1CCCCCCC1
C#CCNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] C#CCNC(=O)c1ccccc1SCC(=O)N[*:1]
C#CCNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 C#CCNC(=O)[*:1] O=C(CSc1ccccc1[*:1])NC1CCCCCCC1
O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cc(F)cc(F)c1)n1nc(C(F)(F)F)nc1N2 c1coc(c1)[*:1] O=C1C[C@@H](CC2Nc3nc(nn3[C@@H](C=21)c1cc(F)cc(F)c1)C(F)(F)F)[*:1]
O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cc(F)cc(F)c1)n1nc(C(F)(F)F)nc1N2 Fc1cc(F)cc(c1)[*:1] O=C1C[C@H](CC2Nc3nc(nn3[C@H](C=21)[*:1])C(F)(F)F)c1ccco1
O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cc(F)cc(F)c1)n1nc(C(F)(F)F)nc1N2 FC(F)(F)[*:1] O=C1C[C@H](CC2Nc3nc(nn3[C@@H](C=21)c1cc(F)cc(F)c1)[*:1])c1ccco1
C[C@@H](OCc1ccccc1)C(=O)NC[C@@H]1Cc2ccccc2O1 c1ccc(cc1)C[*:1] C[C@@H](O[*:1])C(=O)NC[C@@H]1Cc2ccccc2O1
C[C@@H](OCc1ccccc1)C(=O)NC[C@@H]1Cc2ccccc2O1 c1ccc(cc1)[*:1] C[C@@H](OC[*:1])C(=O)NC[C@@H]1Cc2ccccc2O1
O=[N+]([O-])c1cccc(N[C@@H]2CCCc3cccnc32)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])N[C@@H]1CCCc2cccnc21
Cc1cccc(CNC(=O)c2ccc(Cc3c(C)noc3C)o2)c1 Cc1noc(C)c1C[*:1] Cc1cccc(c1)CNC(=O)c1ccc(o1)[*:1]
Cc1cccc(CNC(=O)c2ccc(Cc3c(C)noc3C)o2)c1 Cc1cccc(c1)C[*:1] Cc1noc(C)c1Cc1ccc(o1)C(=O)N[*:1]
Cc1cccc(CNC(=O)c2ccc(Cc3c(C)noc3C)o2)c1 Cc1noc(C)c1[*:1] Cc1cccc(c1)CNC(=O)c1ccc(C[*:1])o1
Cc1cccc(CNC(=O)c2ccc(Cc3c(C)noc3C)o2)c1 Cc1cccc(c1)[*:1] Cc1noc(C)c1Cc1ccc(o1)C(=O)NC[*:1]
CC(=O)Nc1ccc2nc(-c3ccccc3)cn2c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc2nc(cn2c1)[*:1]
CC(=O)Nc1ccc2nc(-c3ccccc3)cn2c1 CC(=O)N[*:1] c1ccc(cc1)-c1cn2cc(ccc2n1)[*:1]
CCc1ccc(-c2ccc(C(=O)N[C@H]3CCCn4nc(CC)nc43)o2)cc1 CCc1ccc(cc1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)c1ccc(o1)[*:1]
CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H](C)[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1
CCN(CC)S(=O)(=O)c1ccc(CNc2ccc(Cl)c(C#N)n2)cc1 CCN(CC)S(=O)(=O)[*:1] N#Cc1nc(ccc1Cl)NCc1ccc(cc1)[*:1]
N#Cc1ccc2ncc(CN(C[C@H](O)c3ccc(F)cc3)C3CC3)n2c1 Fc1ccc(cc1)[*:1] N#Cc1ccc2ncc(CN(C[C@H](O)[*:1])C3CC3)n2c1
N#Cc1ccc2ncc(CN(C[C@H](O)c3ccc(F)cc3)C3CC3)n2c1 C1CC1[*:1] N#Cc1ccc2ncc(CN(C[C@H](O)c3ccc(F)cc3)[*:1])n2c1
CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2c(C)cccc2C)c1 CC(=O)N[*:1] Cc1cccc(C)c1-n1c(nc2ccccc2c1=O)SCC(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2c(C)cccc2C)c1 CC(=O)Nc1cccc(c1)[*:1] Cc1cccc(C)c1-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2c(C)cccc2C)c1 Cc1cccc(C)c1[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CCCN1C(=O)[C@H](CC(=O)N2CCC(C)CC2)Sc2ncccc21 CCC[*:1] CC1CCN(CC1)C(=O)C[C@@H]1Sc2ncccc2N(C1=O)[*:1]
Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)CC(C)C)C2 CC(C)C[*:1] Cc1cn2C[C@@H](CCc2[nH+]1)NS(=O)(=O)[*:1]
Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)CC(C)C)C2 CC(C)[*:1] Cc1cn2C[C@@H](CCc2[nH+]1)NS(=O)(=O)C[*:1]
CCc1cnc(CNC(=O)NCCNC(=O)C2CCCC2)s1 C1CCC(C1)[*:1] CCc1cnc(CNC(=O)NCCNC(=O)[*:1])s1
CCc1cnc(CNC(=O)NCCNC(=O)C2CCCC2)s1 CCc1cnc(s1)[*:1] O=C(NCCNC(=O)C1CCCC1)NC[*:1]
Cc1cccc(Cl)c1NC(=O)c1scnc1C1CC1 C1CC1[*:1] Cc1cccc(Cl)c1NC(=O)c1scnc1[*:1]
COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc2onc(C)c2c1 COCC[*:1] Cc1noc2ncc(cc12)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)[*:1]
COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc2onc(C)c2c1 COC[*:1] Cc1noc2ncc(cc12)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[*:1]
CCC(=O)N(C)c1ccccc1C(=O)Nc1ccc(F)c(C)c1 CCC(=O)N(C)[*:1] Cc1cc(ccc1F)NC(=O)c1ccccc1[*:1]
C[C@@H]1CC[C@@]1(SC1CCCCC1)C(=O)[O-] O=C([O-])[*:1] C[C@@H]1CC[C@]1(SC1CCCCC1)[*:1]
CCc1c(C)sc(NC(=O)Cc2ccccc2)c1C(N)=O NC(=O)[*:1] CCc1c(C)sc(NC(=O)Cc2ccccc2)c1[*:1]
CCc1c(C)sc(NC(=O)Cc2ccccc2)c1C(N)=O c1ccc(cc1)C[*:1] CCc1c(C)sc(NC(=O)[*:1])c1C(N)=O
CCc1c(C)sc(NC(=O)Cc2ccccc2)c1C(N)=O c1ccc(cc1)[*:1] CCc1c(C)sc(NC(=O)C[*:1])c1C(N)=O
CC[C@H](NC(=O)c1cc2ccccc2c(OC)n1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)c1cc2ccccc2c(n1)OC)[*:1]
CCCn1ccc2ccc(NC(=O)[C@@H]3CCCN(CC(F)(F)F)C3)cc21 CCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])[C@@H]1CCCN(C1)CC(F)(F)F
CCCn1ccc2ccc(NC(=O)[C@@H]3CCCN(CC(F)(F)F)C3)cc21 FC(F)(F)C[*:1] CCCn1ccc2ccc(cc21)NC(=O)[C@@H]1CCCN(C1)[*:1]
CCCn1ccc2ccc(NC(=O)[C@@H]3CCCN(CC(F)(F)F)C3)cc21 FC(F)(F)[*:1] CCCn1ccc2ccc(cc21)NC(=O)[C@@H]1CCCN(C1)C[*:1]
CC(C)C[C@H]1CO[C@@H]2[C@H](CCC2(C)C)[NH2+]1 CC(C)C[*:1] CC1(C)CC[C@@H]2[NH2+][C@H](CO[C@H]21)[*:1]
CC(C)C[C@H]1CO[C@@H]2[C@H](CCC2(C)C)[NH2+]1 CC(C)[*:1] CC1(C)CC[C@@H]2[NH2+][C@H](CO[C@H]21)C[*:1]
O=S1(=O)C[C@H](Cl)[C@@H](Sc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] O=S1(=O)C[C@H](Cl)[C@H](C1)Sc1ccc(cn1)[*:1]
CCN(CCC#N)S(=O)(=O)c1ncn(C)c1Cl N#CC[*:1] CCN(C[*:1])S(=O)(=O)c1ncn(C)c1Cl
CCN(CCC#N)S(=O)(=O)c1ncn(C)c1Cl N#CCC[*:1] CCN(S(=O)(=O)c1ncn(C)c1Cl)[*:1]
Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)cccc2c1=O c1ccc(cc1)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)N[C@@H](C)c1ccc2NC(=O)CCc2c1)[*:1]
Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)cccc2c1=O O=C1CCc2cc(ccc2N1)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)N[C@@H](C)[*:1])-c1ccccc1
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1CC(N)=O Clc1ccc(cc1Cl)[*:1] CCN(C[*:1])C(=O)Nc1ccccc1CC(N)=O
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1CC(N)=O NC(=O)[*:1] CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C[*:1]
CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1CC(N)=O NC(=O)C[*:1] CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1[*:1]
COc1cccc(C[C@H]2CN(C(=O)CCn3c(C)cccc3=O)CCO2)c1 COc1cccc(c1)C[*:1] Cc1cccc(=O)n1CCC(=O)N1CCO[C@H](C1)[*:1]
COc1cccc(C[C@H]2CN(C(=O)CCn3c(C)cccc3=O)CCO2)c1 Cc1cccc(=O)n1C[*:1] COc1cccc(c1)C[C@H]1CN(CCO1)C(=O)C[*:1]
COc1cccc(C[C@H]2CN(C(=O)CCn3c(C)cccc3=O)CCO2)c1 COc1cccc(c1)[*:1] Cc1cccc(=O)n1CCC(=O)N1CCO[C@H](C1)C[*:1]
COc1cccc(C[C@H]2CN(C(=O)CCn3c(C)cccc3=O)CCO2)c1 Cc1cccc(=O)n1[*:1] COc1cccc(c1)C[C@H]1CN(CCO1)C(=O)CC[*:1]
CN(CCCO[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)[C@@H]1COC(C)(C)O1)[*:1]
CN(CCCO[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12)c1ccccc1 CN(c1ccccc1)[*:1] CC1(C)OC[C@H](O1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCCC[*:1]
CN(CCCO[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12)c1ccccc1 CC1(C)OC[C@H](O1)[*:1] CN(CCCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1[*:1])c1ccccc1
CN(CCCO[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12)c1ccccc1 CN(C[*:1])c1ccccc1 CC1(C)OC[C@H](O1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCC[*:1]
C[C@H]1CN(c2ccc(O)cc2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1 Oc1ccc(cc1)[*:1] C[C@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C1)[*:1]
CCc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] CCc1ccccc1NC(=O)N1CCO[C@H](C1)[*:1]
CCc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2F)C1 CCc1ccccc1[*:1] O=C(N[*:1])N1CCO[C@@H](C1)c1ccccc1F
CCOC(=O)C[C@H](C)CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 CCOC(=O)C[*:1] C[C@H](CNC(=O)N1CC[C@@H](C1)[NH+]1CCCC1)[*:1]
CCOC(=O)C[C@H](C)CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 CCOC(=O)[*:1] C[C@H](CNC(=O)N1CC[C@@H](C1)[NH+]1CCCC1)C[*:1]
CC(C)[C@H]1CN(Cc2cccc(O)c2)C2(CCCC2)C[NH2+]1 Oc1cccc(c1)[*:1] CC(C)[C@H]1CN(C[*:1])C2(CCCC2)C[NH2+]1
CC(C)[C@H]1CN(Cc2cccc(O)c2)C2(CCCC2)C[NH2+]1 CC(C)[*:1] Oc1cccc(c1)CN1C[C@@H]([NH2+]CC12CCCC2)[*:1]
O=C(c1ccccc1)N1CC[NH+](C[C@@H](O)COc2cccc3ccccc23)CC1 c1ccc(cc1)[*:1] O=C(N1CC[NH+](CC1)C[C@@H](O)COc1cccc2ccccc12)[*:1]
Cc1cc(C[NH+]2CCN(C)C(=O)C2(C)C)oc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(C[NH+]2CCN(C)C(=O)C2(C)C)oc1[*:1]
COc1cc(CN(C)[C@@H]2CCc3ccccc3C2)c([N+](=O)[O-])cc1O O=[N+]([O-])[*:1] COc1cc(CN(C)[C@@H]2CCc3ccccc3C2)c(cc1O)[*:1]
COCc1cc(C(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)no1 COC[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1cc(on1)[*:1]
CSc1cccc(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)c1 Cc1cccc(c1)[*:1] CSc1cccc(c1)NC(=O)C(=O)N1CCN(CC1)[*:1]
CSc1cccc(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)c1 CSc1cccc(c1)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)C(=O)N[*:1]
Cc1ccc(F)c(CC(=O)N2CCO[C@H](COCc3ccccc3)C2)c1F c1ccc(cc1)COC[*:1] Cc1ccc(F)c(CC(=O)N2CCO[C@H](C2)[*:1])c1F
Cc1ccc(F)c(CC(=O)N2CCO[C@H](COCc3ccccc3)C2)c1F c1ccc(cc1)C[*:1] Cc1ccc(F)c(CC(=O)N2CCO[C@H](CO[*:1])C2)c1F
Cc1ccc(F)c(CC(=O)N2CCO[C@H](COCc3ccccc3)C2)c1F c1ccc(cc1)[*:1] Cc1ccc(F)c(CC(=O)N2CCO[C@H](COC[*:1])C2)c1F
Cc1ccc(F)c(CC(=O)N2CCO[C@H](COCc3ccccc3)C2)c1F c1ccc(cc1)CO[*:1] Cc1ccc(F)c(CC(=O)N2CCO[C@@H](C2)C[*:1])c1F
Cc1ccc(F)c(CC(=O)N2CCO[C@H](COCc3ccccc3)C2)c1F Cc1ccc(F)c(c1F)[*:1] O=C(C[*:1])N1CCO[C@H](COCc2ccccc2)C1
CC[C@H](OC1CCCC1)C(=O)N1CCOC[C@@H]1C1CC1 C1CCC(C1)[*:1] CC[C@H](O[*:1])C(=O)N1CCOC[C@@H]1C1CC1
CC[C@H](OC1CCCC1)C(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] CC[C@H](OC1CCCC1)C(=O)N1CCOC[C@H]1[*:1]
CC[C@H](OC1CCCC1)C(=O)N1CCOC[C@@H]1C1CC1 C1CCC(C1)O[*:1] CC[C@H](C(=O)N1CCOC[C@@H]1C1CC1)[*:1]
Cc1nc(-c2cc3c(s2)CCN(C(=O)C[C@@H]2CCCO2)C3)cs1 Cc1nc(cs1)[*:1] O=C(C[C@@H]1CCCO1)N1CCc2sc(cc2C1)[*:1]
Cc1nc(-c2cc3c(s2)CCN(C(=O)C[C@@H]2CCCO2)C3)cs1 C1CO[C@@H](C1)C[*:1] Cc1nc(cs1)-c1cc2CN(CCc2s1)C(=O)[*:1]
Cc1nc(-c2cc3c(s2)CCN(C(=O)C[C@@H]2CCCO2)C3)cs1 C1CO[C@@H](C1)[*:1] Cc1nc(cs1)-c1cc2CN(CCc2s1)C(=O)C[*:1]
C[C@@H]1CC(C(=O)NCCCO[C@@H]2CCOC2)C[C@@H](C)O1 C1C[C@H](CO1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCCCO[*:1]
C[C@@H]1CC(C(=O)NCCCO[C@@H]2CCOC2)C[C@@H](C)O1 C1C[C@H](CO1)O[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCCC[*:1]
CCNC(=O)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 Clc1ccc(cc1)[*:1] CCNC(=O)N1CCN(CC1)Cc1csc(n1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCc1cccs1 CC(C)[*:1] O=C(N[C@H](C(=O)NCCc1cccs1)[*:1])c1ccccc1Cl
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCc1cccs1 c1csc(c1)CC[*:1] CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[*:1]
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCc1cccs1 c1csc(c1)C[*:1] CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[*:1]
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCc1cccs1 c1csc(c1)[*:1] CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[*:1]
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCc1cccs1 Clc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NCCc1cccs1
Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)CC1 Cc1noc(C)c1C[*:1] Cc1ccccc1N1CC[NH+](CC1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)CC1 Cc1noc(C)c1CC[*:1] Cc1ccccc1N1CC[NH+](CC1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)CC1 Cc1noc(C)c1[*:1] Cc1ccccc1N1CC[NH+](CC1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)CC1 Cc1ccccc1[*:1] Cc1noc(C)c1CCC(=O)N1CCC[C@H](C1)[NH+]1CCN(CC1)[*:1]
CC(C)CCCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O CC(C)CC[*:1] CS(=O)(=O)N1CCC[C@H]1C(=O)NCC[*:1]
CC(C)CCCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O CC(C)[*:1] CS(=O)(=O)N1CCC[C@H]1C(=O)NCCCC[*:1]
CC(C)CCCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O CC(C)CCC[*:1] CS(=O)(=O)N1CCC[C@H]1C(=O)NC[*:1]
CC(C)CCCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O CC(C)C[*:1] CS(=O)(=O)N1CCC[C@H]1C(=O)NCCC[*:1]
COc1ccc(-c2n[nH]cc2C(=O)N(C)C[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] COc1ccc(cc1)-c1n[nH]cc1C(=O)N(C)[*:1]
COc1ccc(-c2n[nH]cc2C(=O)N(C)C[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] COc1ccc(cc1)-c1n[nH]cc1C(=O)N(C)C[*:1]
CC(C)(C)c1ccc(C(=O)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)C[*:1]
CC(C)(C)c1ccc(C(=O)Cc2ccccc2)cc1 CC(C)(C)[*:1] O=C(Cc1ccccc1)c1ccc(cc1)[*:1]
C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)C2)c2cc(F)ccc2C(=O)N1 O=C1C[C@@H](CN1)[*:1] C[C@@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2N(C)C)c(OC)c1 CN(C)[*:1] COc1ccc(c(c1)OC)[C@H](C)[NH2+][C@H](C)c1ccccc1[*:1]
COc1cc(C)c(CN2CCN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)cc1OC C1CCN(CC1)[*:1] COc1cc(C)c(cc1OC)CN1CCN(CC1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
COc1cc(C)c(CN2CCN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)cc1OC COc1cc(C)c(cc1OC)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)N1CCN(CC1)C[*:1]
COc1cc(C)c(CN2CCN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)cc1OC O=[N+]([O-])[*:1] COc1cc(C)c(cc1OC)CN1CCN(CC1)C(=O)c1ccc(c(c1)[*:1])N1CCCCC1
NC(=O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] NC(=O)[*:1] O=[N+]([O-])c1cc(ccc1N1CCC[C@H]1[*:1])C(F)(F)F
NC(=O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] NC(=O)[C@@H]1CCCN1c1ccc(cc1[*:1])C(F)(F)F
NC(=O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] NC(=O)[C@@H]1CCCN1c1ccc(cc1[N+](=O)[O-])[*:1]
C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O CS(=O)(=O)NC[*:1] C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@@H]1[*:1]
C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O Fc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N1CCCC[C@H]1CNS(C)(=O)=O
C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O CS(=O)(=O)N[*:1] C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1C[*:1]
C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O Fc1cccc(c1)O[*:1] C[C@@H](C(=O)N1CCCC[C@H]1CNS(C)(=O)=O)[*:1]
Cc1cccc(N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C O=[N+]([O-])c1cccc(c1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)CNC(=O)[*:1]
Cc1cccc(N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C O=[N+]([O-])[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)CNC(=O)c1cccc(c1)[*:1]
Cc1cccc(N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(NCC(=O)N1CCN(CC1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC(C)C(=O)Cn1nnc2ccccc21 CC(C)[*:1] O=C(Cn1nnc2ccccc21)[*:1]
CC(C)C(=O)Cn1nnc2ccccc21 CC(C)C(=O)[*:1] c1ccc2c(c1)nnn2C[*:1]
Cc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cc1ccccc1[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 Cc1ccccc1[*:1] C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1cccs1)[*:1]
COc1cccc(N2CC[C@H](CNC(=O)NCc3ccc(Cl)cc3)C2)c1 COc1cccc(c1)[*:1] O=C(NCc1ccc(Cl)cc1)NC[C@H]1CCN(C1)[*:1]
COc1cccc(N2CC[C@H](CNC(=O)NCc3ccc(Cl)cc3)C2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)N1CC[C@H](CNC(=O)NC[*:1])C1
COc1cccc(N2CC[C@H](CNC(=O)NCc3ccc(Cl)cc3)C2)c1 Clc1ccc(cc1)C[*:1] COc1cccc(c1)N1CC[C@H](CNC(=O)N[*:1])C1
CCCNc1cccc(Cn2nc(C)c(C)c2C)n1 CCC[*:1] Cc1nn(Cc2cccc(n2)N[*:1])c(C)c1C
CCCNc1cccc(Cn2nc(C)c(C)c2C)n1 CCCN[*:1] Cc1nn(Cc2cccc(n2)[*:1])c(C)c1C
CC[C@H](CCO)NC(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 CC[C@H](CCO)[*:1] CS(=O)(=O)Cc1cc(ccc1Cl)NC(=O)N[*:1]
CC[C@H](CCO)NC(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] CC[C@H](CCO)NC(=O)Nc1ccc(Cl)c(c1)C[*:1]
CC[C@H](CCO)NC(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 OCC[*:1] CC[C@H](NC(=O)Nc1ccc(Cl)c(c1)CS(C)(=O)=O)[*:1]
CC[C@H](CCO)NC(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] CC[C@H](CCO)NC(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1ccc([C@@H](CNc2ncccc2C#N)c2c[nH]c3ccccc23)cc1 N#Cc1cccnc1[*:1] COc1ccc(cc1)[C@@H](CN[*:1])c1c[nH]c2ccccc12
COc1ccc([C@@H](CNc2ncccc2C#N)c2c[nH]c3ccccc23)cc1 N#Cc1cccnc1N[*:1] COc1ccc(cc1)[C@@H](C[*:1])c1c[nH]c2ccccc12
COc1ccc([C@@H](CNc2ncccc2C#N)c2c[nH]c3ccccc23)cc1 COc1ccc(cc1)[*:1] N#Cc1cccnc1NC[C@@H](c1c[nH]c2ccccc12)[*:1]
COc1ccc([C@@H](CNc2ncccc2C#N)c2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1)[C@@H](CNc1ncccc1C#N)[*:1]
Cc1nn(CC[C@H]2CCC[C@]2([NH3+])C(N)=O)c(C)c1Cl NC(=O)[*:1] Cc1nn(CC[C@H]2CCC[C@@]2([NH3+])[*:1])c(C)c1Cl
COC(=O)c1cc(-c2csc(NC(=O)c3cccc(OC(F)F)c3)n2)c[nH]1 FC(F)O[*:1] COC(=O)c1cc(c[nH]1)-c1csc(n1)NC(=O)c1cccc(c1)[*:1]
COC(=O)c1cc(-c2csc(NC(=O)c3cccc(OC(F)F)c3)n2)c[nH]1 COC(=O)[*:1] O=C(Nc1nc(cs1)-c1c[nH]c(c1)[*:1])c1cccc(c1)OC(F)F
COC(=O)c1cc(-c2csc(NC(=O)c3cccc(OC(F)F)c3)n2)c[nH]1 FC(F)[*:1] COC(=O)c1cc(c[nH]1)-c1csc(n1)NC(=O)c1cccc(c1)O[*:1]
COC(=O)c1cc(-c2csc(NC(=O)c3cccc(OC(F)F)c3)n2)c[nH]1 COC(=O)c1cc(c[nH]1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cccc(c1)OC(F)F
CC[C@@H](C)C(=O)OCC(=O)NC(C)C CC(C)[*:1] CC[C@@H](C)C(=O)OCC(=O)N[*:1]
CC[C@@H](C)C(=O)OCC(=O)NC(C)C CC[C@@H](C)[*:1] CC(C)NC(=O)COC(=O)[*:1]
CCNc1nc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cs1 CCN[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1csc(n1)[*:1]
O=C(C[C@H]1CCCc2ccccc21)NCCCn1ccccc1=O O=c1ccccn1[*:1] O=C(C[C@H]1CCCc2ccccc21)NCCC[*:1]
O=C(C[C@H]1CCCc2ccccc21)NCCCn1ccccc1=O O=c1ccccn1C[*:1] O=C(C[C@H]1CCCc2ccccc21)NCC[*:1]
O=C1C(c2ccccc2)=Nc2cc([N+](=O)[O-])c(O)cc21 c1ccc(cc1)[*:1] O=C1C(=Nc2cc(c(O)cc21)[N+](=O)[O-])[*:1]
O=C1C(c2ccccc2)=Nc2cc([N+](=O)[O-])c(O)cc21 O=[N+]([O-])[*:1] O=C1C(=Nc2cc(c(O)cc21)[*:1])c1ccccc1
CCCc1cc(C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)sc1C CCC[*:1] COCCN(C(=O)c1cc(c(C)s1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCc1cc(C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)sc1C O=S1(=O)CC[C@H](C1)[*:1] CCCc1cc(sc1C)C(=O)N(CCOC)[*:1]
CCCc1cc(C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)sc1C COC[*:1] CCCc1cc(sc1C)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCCc1cc(C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)sc1C COCC[*:1] CCCc1cc(sc1C)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)([C@@H]([NH3+])c1ccc(Cl)cc1F)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)([C@@H]([NH3+])c1ccc(Cl)cc1F)[*:1]
CC[C@](C)([NH2+]CC(=O)Nc1c(C)n[nH]c1C)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)([NH2+]CC(=O)Nc1c(C)n[nH]c1C)[*:1]
O=C(Nc1cccnc1)C1CCN(C(=O)c2ccc(-c3n[nH]c4ncccc34)[nH]2)CC1 O=C(Nc1cccnc1)[*:1] O=C(c1ccc([nH]1)-c1n[nH]c2ncccc12)N1CCC(CC1)[*:1]
O=C(Nc1cccnc1)C1CCN(C(=O)c2ccc(-c3n[nH]c4ncccc34)[nH]2)CC1 c1cncc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc([nH]1)-c1n[nH]c2ncccc12
O=C(Nc1cccnc1)C1CCN(C(=O)c2ccc(-c3n[nH]c4ncccc34)[nH]2)CC1 c1cnc2[nH]nc(c2c1)[*:1] O=C(Nc1cccnc1)C1CCN(CC1)C(=O)c1ccc([nH]1)[*:1]
COc1cc(/C=C2/SC(=S)N=C2[O-])ccc1OC(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] COc1cc(/C=C2/SC(=S)N=C2[O-])ccc1OC(=O)[*:1]
CCc1nnc(NC(=O)COC(c2ccccc2)c2ccccc2)s1 c1ccc(cc1)[*:1] CCc1nnc(NC(=O)COC(c2ccccc2)[*:1])s1
CCc1nnc(NC(=O)COC(c2ccccc2)c2ccccc2)s1 CCc1nnc(s1)[*:1] O=C(COC(c1ccccc1)c1ccccc1)N[*:1]
COC(=O)[C@]1(F)CCN(C(=O)CCc2ccccc2Br)C1 Brc1ccccc1[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)CC[*:1]
COC(=O)[C@]1(F)CCN(C(=O)CCc2ccccc2Br)C1 COC(=O)[*:1] O=C(CCc1ccccc1Br)N1CC[C@@](F)(C1)[*:1]
C1C[C@@H](Nc2nc(C3CC3)ns2)C[C@]2(CCSC2)O1 C1CC1[*:1] C1C[C@H](C[C@]2(CCSC2)O1)Nc1nc(ns1)[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C(=O)O[*:1]
Cc1c(CCC(=O)N(CC(=O)N(C)C)c2ccccc2)cnn1C Cc1c(cnn1C)[*:1] CN(C)C(=O)CN(C(=O)CC[*:1])c1ccccc1
Cc1c(CCC(=O)N(CC(=O)N(C)C)c2ccccc2)cnn1C CN(C)C(=O)[*:1] Cc1c(cnn1C)CCC(=O)N(C[*:1])c1ccccc1
Cc1c(CCC(=O)N(CC(=O)N(C)C)c2ccccc2)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)CCC(=O)N(CC(=O)N(C)C)[*:1]
Cc1c(CCC(=O)N(CC(=O)N(C)C)c2ccccc2)cnn1C CN(C)C(=O)C[*:1] Cc1c(cnn1C)CCC(=O)N(c1ccccc1)[*:1]
Cc1c(CCC(=O)N(CC(=O)N(C)C)c2ccccc2)cnn1C Cc1c(cnn1C)C[*:1] CN(C)C(=O)CN(C(=O)C[*:1])c1ccccc1
COc1ccc(N2C(=O)CN(CCc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 COc1ccc(cc1)[*:1] O=C1CN(CCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
COc1ccc(N2C(=O)CN(CCc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)N1C(=O)CN(C[*:1])[C@H]2CS(=O)(=O)C[C@H]21
COc1ccc(N2C(=O)CN(CCc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)CN(CC[*:1])[C@H]2CS(=O)(=O)C[C@H]21
COc1ccc(N2C(=O)CN(CCc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)N1C(=O)CN([C@H]2CS(=O)(=O)C[C@H]21)[*:1]
O=C(NNC(=O)c1sc2ccccc2c1Cl)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NNC(=O)c1sc2ccccc2c1Cl)N[*:1]
CN(C(=O)CCNC(=O)c1ccoc1)C1CCCCC1 c1cc(co1)[*:1] CN(C(=O)CCNC(=O)[*:1])C1CCCCC1
CN(C(=O)CCNC(=O)c1ccoc1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)CCNC(=O)c1ccoc1)[*:1]
C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)C(F)(F)F
COC(=O)c1c(NC(=O)c2csc(-c3ccccc3)n2)sc(C)c1C c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)c2csc(n2)[*:1])sc(C)c1C
COC(=O)c1c(NC(=O)c2csc(-c3ccccc3)n2)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)c2csc(n2)-c2ccccc2)c(c1C)[*:1]
O=C(c1ccn(CCc2ccccc2[N+](=O)[O-])c1)C1CC1 O=C(C1CC1)[*:1] O=[N+]([O-])c1ccccc1CCn1ccc(c1)[*:1]
O=C(c1ccn(CCc2ccccc2[N+](=O)[O-])c1)C1CC1 O=[N+]([O-])[*:1] O=C(c1ccn(c1)CCc1ccccc1[*:1])C1CC1
O=C(c1ccn(CCc2ccccc2[N+](=O)[O-])c1)C1CC1 C1CC1[*:1] O=C(c1ccn(c1)CCc1ccccc1[N+](=O)[O-])[*:1]
O=C(NCc1cc(=O)[nH]c2ccccc12)c1ccc(OCC(F)F)nc1 FC(F)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)c1ccc(nc1)OC[*:1]
O=C(NCc1cc(=O)[nH]c2ccccc12)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)c1ccc(nc1)O[*:1]
O=C(NCc1cc(=O)[nH]c2ccccc12)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)c1ccc(nc1)[*:1]
Cc1cccc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 Cc1cccc(c1)[*:1] C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)[*:1]
Cc1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)cc2C=O)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1nn(cc1C=O)Cc1cccc(c1)[*:1]
Cc1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)cc2C=O)cc1 Cc1ccc(cc1)[*:1] O=Cc1cn(Cc2cccc(c2)C(F)(F)F)nc1[*:1]
CCC(=O)[C@H](C)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 c1ccc(cc1)[*:1] CCC(=O)[C@H](C)Sc1nnc(C[NH+]2CCCCC2)n1[*:1]
CCC(=O)[C@H](C)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 CCC(=O)[C@H](C)[*:1] c1ccc(cc1)-n1c(C[NH+]2CCCCC2)nnc1S[*:1]
CCC(=O)[C@H](C)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 CCC(=O)[C@H](C)S[*:1] c1ccc(cc1)-n1c(C[NH+]2CCCCC2)nnc1[*:1]
CCC(=O)[C@H](C)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 CCC(=O)[*:1] C[C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1)[*:1]
Cc1nonc1CC(=O)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 Cc1nonc1[*:1] O=C(CCC1CCN(CC1)C(=O)C[*:1])N1CCN(CC1)c1ccccc1
Cc1nonc1CC(=O)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] Cc1nonc1CC(=O)N1CCC(CCC(=O)N2CCN(CC2)[*:1])CC1
Cc1nonc1CC(=O)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 Cc1nonc1C[*:1] O=C(CCC1CCN(CC1)C(=O)[*:1])N1CCN(CC1)c1ccccc1
Cn1ncc2c(SCc3ncc(-c4ccc(Cl)cc4)o3)ncnc21 Clc1ccc(cc1)[*:1] Cn1ncc2c(ncnc21)SCc1ncc(o1)[*:1]
C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)sc2C1 Clc1ccc(cc1)[*:1] C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)[*:1])sc2C1
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 FC(F)(F)[*:1] CN(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)[N-]c1ccccc1O[*:1]
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 FC(F)(F)O[*:1] CN(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)[N-]c1ccccc1[*:1]
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 CN(C)S(=O)(=O)[*:1] O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1cccc(c1)[*:1]
C[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1occc1Br Brc1ccoc1[*:1] C[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)[*:1]
C[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1occc1Br c1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)[C@H](O)C[*:1])c1occc1Br
Cc1ccc(NC(=O)CC2CCCC2)c(OC[C@@H]2CCCO2)c1 C1CCC(C1)[*:1] Cc1ccc(NC(=O)C[*:1])c(c1)OC[C@@H]1CCCO1
Cc1ccc(NC(=O)CC2CCCC2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(NC(=O)CC2CCCC2)c(c1)OC[*:1]
Cc1ccc(NC(=O)CC2CCCC2)c(OC[C@@H]2CCCO2)c1 C1CCC(C1)C[*:1] Cc1ccc(NC(=O)[*:1])c(c1)OC[C@@H]1CCCO1
Cc1ccc(NC(=O)CC2CCCC2)c(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] Cc1ccc(NC(=O)CC2CCCC2)c(c1)[*:1]
CC[C@H](Nc1cc(C(N)=O)ccn1)c1ccc(F)cc1F NC(=O)[*:1] CC[C@H](Nc1cc(ccn1)[*:1])c1ccc(F)cc1F
C[C@@H](C1CC1)N(C(=O)CN1CCOC[C@@H]1C1CC1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)CN1CCOC[C@@H]1C1CC1)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)CN1CCOC[C@@H]1C1CC1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)CN1CCOC[C@@H]1C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)CN1CCOC[C@@H]1C1CC1)C1CC1 C[C@@H](C1CC1)[*:1] O=C(CN1CCOC[C@@H]1C1CC1)N(C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)CN1CCOC[C@@H]1C1CC1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)CN1CCOC[C@H]1[*:1])C1CC1
O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCc2cc(F)ccc2C1 c1csc(c1)[*:1] O=C([C@@H]1CCCN1S(=O)(=O)[*:1])N1CCc2cc(F)ccc2C1
Cn1nccc1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 Cn1nccc1[*:1] O=C(N1CCOc2c(O)cc(cc2C1)-c1cccc(Cl)c1)[*:1]
Cn1nccc1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 Clc1cccc(c1)[*:1] Cn1nccc1C(=O)N1CCOc2c(O)cc(cc2C1)[*:1]
CC[NH2+][C@@H](Cc1cccc(C)c1)c1cc(F)c(C)cc1F Cc1cccc(c1)[*:1] CC[NH2+][C@@H](C[*:1])c1cc(F)c(C)cc1F
Cc1cccc(C(C)(C)NC(=O)NCC(=O)NCC(C)C)c1 CC(C)C[*:1] Cc1cccc(c1)C(C)(C)NC(=O)NCC(=O)N[*:1]
Cc1cccc(C(C)(C)NC(=O)NCC(=O)NCC(C)C)c1 Cc1cccc(c1)[*:1] CC(C)CNC(=O)CNC(=O)NC(C)(C)[*:1]
Cc1cccc(C(C)(C)NC(=O)NCC(=O)NCC(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(C)(C)NC(=O)NCC(=O)NC[*:1]
Cc1cccc(C(C)(C)NC(=O)NCC(=O)NCC(C)C)c1 CC(C)CNC(=O)[*:1] Cc1cccc(c1)C(C)(C)NC(=O)NC[*:1]
CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2Cl)s1 Clc1ccccc1[*:1] CSc1nc(-c2ccccc2)c(NC(=O)[*:1])s1
CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2Cl)s1 c1ccc(cc1)[*:1] CSc1nc(c(NC(=O)c2ccccc2Cl)s1)[*:1]
O=C(c1nnn(-c2cc(Cl)cc(Cl)c2)c1CSc1ncccn1)N1CCCCC1 c1cnc(nc1)SC[*:1] O=C(c1nnn(-c2cc(Cl)cc(Cl)c2)c1[*:1])N1CCCCC1
O=C(c1nnn(-c2cc(Cl)cc(Cl)c2)c1CSc1ncccn1)N1CCCCC1 c1cnc(nc1)S[*:1] O=C(c1nnn(-c2cc(Cl)cc(Cl)c2)c1C[*:1])N1CCCCC1
O=C(c1nnn(-c2cc(Cl)cc(Cl)c2)c1CSc1ncccn1)N1CCCCC1 O=C(N1CCCCC1)[*:1] Clc1cc(Cl)cc(c1)-n1nnc(c1CSc1ncccn1)[*:1]
O=C(c1nnn(-c2cc(Cl)cc(Cl)c2)c1CSc1ncccn1)N1CCCCC1 c1cnc(nc1)[*:1] O=C(c1nnn(-c2cc(Cl)cc(Cl)c2)c1CS[*:1])N1CCCCC1
O=C(c1nnn(-c2cc(Cl)cc(Cl)c2)c1CSc1ncccn1)N1CCCCC1 Clc1cc(Cl)cc(c1)[*:1] O=C(c1nnn(c1CSc1ncccn1)[*:1])N1CCCCC1
COCc1n[nH]c2c1[C@@H](c1ccco1)C(C#N)=C(N)O2 COC[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@H]1c1ccco1)[*:1]
COCc1n[nH]c2c1[C@@H](c1ccco1)C(C#N)=C(N)O2 c1coc(c1)[*:1] COCc1n[nH]c2OC(N)=C(C#N)[C@H](c12)[*:1]
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccc1OC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccc1O[*:1]
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccc1OC1CCCC1 C1CCC(C1)O[*:1] O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccc1[*:1]
COC(=O)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@H]3C(=O)N[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] COC(=O)c1ccc2c(=O)nc3[C@@H](SC(=S)n3c2c1)C(=O)N[*:1]
COC(=O)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@H]3C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1ccc2c(=O)nc3[C@@H](SC(=S)n3c2c1)C(=O)N[C@@H](C)[*:1]
COC(=O)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@H]3C(=O)N[C@@H](C)c1ccccc1 COC(=O)[*:1] C[C@H](NC(=O)[C@@H]1SC(=S)n2c1nc(=O)c1ccc(cc12)[*:1])c1ccccc1
C[C@@H](C#N)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 C[C@@H](C#N)[*:1] O=S(=O)(c1ccc2CCCc2c1)N1CCN(CC1)[*:1]
CCOc1ccc2[nH]c3nc(SCc4cccnc4)nnc3c2c1 c1cncc(c1)[*:1] CCOc1ccc2[nH]c3nc(nnc3c2c1)SC[*:1]
CCOc1ccc2[nH]c3nc(SCc4cccnc4)nnc3c2c1 c1cncc(c1)C[*:1] CCOc1ccc2[nH]c3nc(nnc3c2c1)S[*:1]
CCOc1ccc2[nH]c3nc(SCc4cccnc4)nnc3c2c1 c1cncc(c1)CS[*:1] CCOc1ccc2[nH]c3nc(nnc3c2c1)[*:1]
CCOc1ccc2[nH]c3nc(SCc4cccnc4)nnc3c2c1 CCO[*:1] c1cncc(c1)CSc1nnc2c(n1)[nH]c1ccc(cc12)[*:1]
O=C(CNCc1cccc2ccccc12)Nc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CNCc1cccc2ccccc12)Nc1ccc(Cl)c(c1)[*:1]
Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1cccc(Cl)c1 CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)N[C@H](C)c1cccc(Cl)c1
Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1cccc(Cl)c1 CC(C)C[*:1] Cc1nn(c(Cl)c1C(=O)N[C@H](C)c1cccc(Cl)c1)[*:1]
Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)CC1(O)CCCC1 CC(C)(C)OC(=O)N[*:1] O=C(CC1(O)CCCC1)N1CCCC[C@H]1C[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)CC1(O)CCCC1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCCCN1C(=O)CC1(O)CCCC1)O[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)CC1(O)CCCC1 OC1(CCCC1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)C[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)CC1(O)CCCC1 OC1(CCCC1)C[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)[*:1]
[NH3+]C1(C(=O)N2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)CC1 c1cc(ccn1)[*:1] [NH3+]C1(CC1)C(=O)N1CCC2(CCC(=O)N(CC[*:1])C2)CC1
[NH3+]C1(C(=O)N2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)CC1 c1cc(ccn1)C[*:1] [NH3+]C1(CC1)C(=O)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
[NH3+]C1(C(=O)N2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)CC1 c1cc(ccn1)CC[*:1] [NH3+]C1(CC1)C(=O)N1CCC2(CCC(=O)N(C2)[*:1])CC1
Cc1cccc(OCCNC(=O)N2CCN(c3cnccn3)CC2)c1 Cc1cccc(c1)O[*:1] O=C(NCC[*:1])N1CCN(CC1)c1cnccn1
Cc1cccc(OCCNC(=O)N2CCN(c3cnccn3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCCO[*:1])N1CCN(CC1)c1cnccn1
Cc1cccc(OCCNC(=O)N2CCN(c3cnccn3)CC2)c1 c1cnc(cn1)[*:1] Cc1cccc(c1)OCCNC(=O)N1CCN(CC1)[*:1]
COc1ccc(-c2noc(CC[NH+]3CCCN(c4ncccn4)CC3)n2)cc1 COc1ccc(cc1)[*:1] c1cnc(nc1)N1CCC[NH+](CCc2nc(no2)[*:1])CC1
COc1ccc(-c2noc(CC[NH+]3CCCN(c4ncccn4)CC3)n2)cc1 c1cnc(nc1)[*:1] COc1ccc(cc1)-c1noc(CC[NH+]2CCCN(CC2)[*:1])n1
CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccn2)c(=O)n3CCc2ccccc2)CO1 c1ccc(cc1)CC[*:1] CC1(C)Cc2c(CO1)sc1c2c(=O)n(-c2ccccn2)c(=O)n1[*:1]
CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccn2)c(=O)n3CCc2ccccc2)CO1 c1ccc(cc1)[*:1] CC1(C)Cc2c(CO1)sc1c2c(=O)n(-c2ccccn2)c(=O)n1CC[*:1]
CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccn2)c(=O)n3CCc2ccccc2)CO1 c1ccc(cc1)C[*:1] CC1(C)Cc2c(CO1)sc1c2c(=O)n(-c2ccccn2)c(=O)n1C[*:1]
CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccn2)c(=O)n3CCc2ccccc2)CO1 c1ccc(nc1)[*:1] CC1(C)Cc2c(CO1)sc1c2c(=O)n(c(=O)n1CCc1ccccc1)[*:1]
CC(C)COCCNC(=O)Nc1cccc(-c2nnco2)c1 CC(C)[*:1] O=C(NCCOC[*:1])Nc1cccc(c1)-c1nnco1
CC(C)COCCNC(=O)Nc1cccc(-c2nnco2)c1 c1nnc(o1)[*:1] CC(C)COCCNC(=O)Nc1cccc(c1)[*:1]
CC(C)COCCNC(=O)Nc1cccc(-c2nnco2)c1 CC(C)COC[*:1] O=C(NC[*:1])Nc1cccc(c1)-c1nnco1
CC(C)COCCNC(=O)Nc1cccc(-c2nnco2)c1 CC(C)C[*:1] O=C(NCCO[*:1])Nc1cccc(c1)-c1nnco1
CC(C)COCCNC(=O)Nc1cccc(-c2nnco2)c1 CC(C)COCC[*:1] O=C(Nc1cccc(c1)-c1nnco1)N[*:1]
CC(C)COCCNC(=O)Nc1cccc(-c2nnco2)c1 CC(C)CO[*:1] O=C(NCC[*:1])Nc1cccc(c1)-c1nnco1
CC[C@H](C)NC(=O)[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1C)C(C)C CC(C)[*:1] CC[C@H](C)NC(=O)[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1C)[*:1]
CC[C@H](C)NC(=O)[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1C)C(C)C CC[C@H](C)[*:1] Cc1sc2nc(S[C@@H](C(=O)N[*:1])C(C)C)n(C)c(=O)c2c1C
CC[C@H](C)NC(=O)[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1C)C(C)C CC[C@H](C)NC(=O)[*:1] Cc1sc2nc(S[C@H](C(C)C)[*:1])n(C)c(=O)c2c1C
CCOC(=O)N1CCC([NH2+]CC(C)(C)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)[NH2+]CC(C)(C)[*:1]
Cc1ccc(CNC(=O)CCc2nc(-c3ccsc3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1nc(no1)-c1ccsc1)NC[*:1]
Cc1ccc(CNC(=O)CCc2nc(-c3ccsc3)no2)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)CNC(=O)CCc1nc(no1)[*:1]
O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCNC2=O)cc1 Clc1ccc(cc1)[*:1] O=C(COc1ccc(cc1)C(=O)[*:1])N1CCNC1=O
O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCNC2=O)cc1 O=C1NCCN1C(=O)[*:1] O=C(c1ccc(Cl)cc1)c1ccc(cc1)OC[*:1]
C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N(C)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N(C)[*:1]
C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N(C)Cc1cccc(F)c1 c1ccc(cc1)[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)N(C)Cc1cccc(F)c1
C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N(C)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N(C)C[*:1]
COCCNc1nc(C2CC[NH+](C)CC2)[nH+]c2c1CN(C(C)=O)CC2 COCCN[*:1] CC(=O)N1CCc2[nH+]c(nc(c2C1)[*:1])C1CC[NH+](C)CC1
COCCNc1nc(C2CC[NH+](C)CC2)[nH+]c2c1CN(C(C)=O)CC2 COCC[*:1] CC(=O)N1CCc2[nH+]c(nc(N[*:1])c2C1)C1CC[NH+](C)CC1
COCCNc1nc(C2CC[NH+](C)CC2)[nH+]c2c1CN(C(C)=O)CC2 COC[*:1] CC(=O)N1CCc2[nH+]c(nc(NC[*:1])c2C1)C1CC[NH+](C)CC1
Cc1nc(NCCNC(=O)Nc2ccc(F)cc2F)cc(N2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1nc(cc(n1)[*:1])NCCNC(=O)Nc1ccc(F)cc1F
Cc1nc(NCCNC(=O)Nc2ccc(F)cc2F)cc(N2CCOCC2)n1 Fc1ccc(c(F)c1)[*:1] Cc1nc(cc(n1)N1CCOCC1)NCCNC(=O)N[*:1]
Cc1nc([C@@H]2CCCN(C(=O)c3cccc4ncccc34)C2)ncc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1nc(ncc1[*:1])[C@@H]1CCCN(C1)C(=O)c1cccc2ncccc12
Cc1nc([C@@H]2CCCN(C(=O)c3cccc4ncccc34)C2)ncc1C(=O)N1CCOCC1 c1cc(c2cccnc2c1)[*:1] Cc1nc(ncc1C(=O)N1CCOCC1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCOc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(OC)cc3s2)cc1 c1cncc(c1)C[*:1] CCOc1ccc(cc1)C(=O)N(c1nc2ccc(cc2s1)OC)[*:1]
CCOc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(OC)cc3s2)cc1 CCO[*:1] COc1ccc2nc(sc2c1)N(Cc1cccnc1)C(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(OC)cc3s2)cc1 c1cncc(c1)[*:1] CCOc1ccc(cc1)C(=O)N(C[*:1])c1nc2ccc(cc2s1)OC
CCOc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(OC)cc3s2)cc1 CCOc1ccc(cc1)[*:1] COc1ccc2nc(sc2c1)N(Cc1cccnc1)C(=O)[*:1]
Cc1nn(CC(=O)NC(C)C)c(=O)c2cc(-c3ccccc3)nn12 CC(C)NC(=O)[*:1] Cc1nn(C[*:1])c(=O)c2cc(nn12)-c1ccccc1
Cc1nn(CC(=O)NC(C)C)c(=O)c2cc(-c3ccccc3)nn12 CC(C)[*:1] Cc1nn(CC(=O)N[*:1])c(=O)c2cc(nn12)-c1ccccc1
Cc1nn(CC(=O)NC(C)C)c(=O)c2cc(-c3ccccc3)nn12 CC(C)NC(=O)C[*:1] Cc1nn(c(=O)c2cc(nn12)-c1ccccc1)[*:1]
Cc1nn(CC(=O)NC(C)C)c(=O)c2cc(-c3ccccc3)nn12 c1ccc(cc1)[*:1] Cc1nn(CC(=O)NC(C)C)c(=O)c2cc(nn12)[*:1]
COc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 c1cc2OCCOc2cc1[*:1] COc1ccc(cc1)NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 COc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
C/C=C\C=C/C(=O)Nc1nc(C)c(SCC(N)=O)s1 CC=C[*:1] Cc1nc(NC(=O)C=C[*:1])sc1SCC(N)=O
C/C=C\C=C/C(=O)Nc1nc(C)c(SCC(N)=O)s1 NC(=O)[*:1] C/C=C\C=C/C(=O)Nc1nc(C)c(SC[*:1])s1
C/C=C\C=C/C(=O)Nc1nc(C)c(SCC(N)=O)s1 C/C=C\C=C[*:1] Cc1nc(NC(=O)[*:1])sc1SCC(N)=O
C/C=C\C=C/C(=O)Nc1nc(C)c(SCC(N)=O)s1 NC(=O)C[*:1] C/C=C\C=C/C(=O)Nc1nc(C)c(S[*:1])s1
C/C=C\C=C/C(=O)Nc1nc(C)c(SCC(N)=O)s1 NC(=O)CS[*:1] C/C=C\C=C/C(=O)Nc1nc(C)c(s1)[*:1]
Cc1ccc(C(=O)[O-])cc1O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] Cc1ccc(cc1O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(C(=O)[O-])cc1O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] Cc1ccc(cc1O[C@@H](C)C(=O)N[*:1])C(=O)[O-]
O=C(NCc1ccc(C#CCO)cc1)N1CCCC1 OCC#C[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCCC1
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 CC(=O)c1ccc(cc1)[*:1] Nn1c(nnc1-c1ccc(Br)cc1)SCC(=O)N[*:1]
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 CC(=O)[*:1] Nn1c(nnc1-c1ccc(Br)cc1)SCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 Brc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)[*:1]
Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)NCc2ccccc2Cl)on1 Clc1ccccc1C[*:1] Cc1cc(on1)-c1c(C)sc(C)c1S(=O)(=O)N[*:1]
Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)NCc2ccccc2Cl)on1 Clc1ccccc1[*:1] Cc1cc(on1)-c1c(C)sc(C)c1S(=O)(=O)NC[*:1]
Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)NCc2ccccc2Cl)on1 Cc1cc(on1)[*:1] Cc1sc(C)c(c1S(=O)(=O)NCc1ccccc1Cl)[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C2CC2)[nH]n1 COC(=O)[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])c1cc([nH]n1)C1CC1
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C2CC2)[nH]n1 C1CC1[*:1] COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([nH]n1)[*:1]
O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=c1c2SCCc2nc(SC[*:1])n1-c1ccccc1
O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)N1CCCCC1 c1ccc(cc1)[*:1] O=C(CSc1nc2CCSc2c(=O)n1[*:1])N1CCCCC1
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2ccccn2)c1 COc1ccc(OC)c(c1)[*:1] N#C/C(=C/c1cn(nc1[*:1])-c1ccccc1)c1ccccn1
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2ccccn2)c1 c1ccc(nc1)[*:1] COc1ccc(OC)c(c1)-c1nn(cc1/C=C(/C#N)[*:1])-c1ccccc1
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2ccccn2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)-c1nn(cc1/C=C(/C#N)c1ccccn1)[*:1]
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2ccccn2)c1 N#CC(=C[*:1])c1ccccn1 COc1ccc(OC)c(c1)-c1nn(cc1[*:1])-c1ccccc1
CCc1nc2n(n1)CCC[C@@H]2N[C@H](C(=O)N(CC)CC)c1ccccc1 c1ccc(cc1)[*:1] CCc1nc2[C@H](CCCn2n1)N[C@H](C(=O)N(CC)CC)[*:1]
CCc1nc2n(n1)CCC[C@@H]2N[C@H](C(=O)N(CC)CC)c1ccccc1 CCN(CC)C(=O)[*:1] CCc1nc2[C@H](CCCn2n1)N[C@H](c1ccccc1)[*:1]
NC(=O)Cc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 NC(=O)[*:1] O=C(Nc1ccccc1C[*:1])N[C@@H]1C[C@H]1c1cccc(Cl)c1
NC(=O)Cc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 NC(=O)C[*:1] O=C(Nc1ccccc1[*:1])N[C@@H]1C[C@H]1c1cccc(Cl)c1
NC(=O)Cc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] NC(=O)Cc1ccccc1NC(=O)N[C@@H]1C[C@@H]1[*:1]
COC(=O)c1ccccc1S(=O)(=O)Cc1ncc(C)o1 Cc1cnc(o1)[*:1] COC(=O)c1ccccc1S(=O)(=O)C[*:1]
COC(=O)c1ccccc1S(=O)(=O)Cc1ncc(C)o1 COC(=O)[*:1] Cc1cnc(CS(=O)(=O)c2ccccc2[*:1])o1
Cc1noc(C)c1CCCNC(=O)NCC[C@@H]1CCC[C@@H](C)C1 Cc1noc(C)c1[*:1] C[C@@H]1CCC[C@@H](CCNC(=O)NCCC[*:1])C1
Cc1ccc(Cn2nnc3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)cnc32)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1nnc2c(=O)n(cnc21)C[*:1]
Cc1ccc(Cn2nnc3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)cnc32)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)Cn1nnc2c(=O)n(cnc21)Cc1ccc(cc1)[*:1]
Cc1ccc(Cn2nnc3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)cnc32)cc1 Cc1ccc(cc1)C[*:1] O=c1c2nnn(c2ncn1Cc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccc(Cn2nnc3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)cnc32)cc1 Cc1ccc(cc1)[*:1] O=c1c2nnn(C[*:1])c2ncn1Cc1ccc(cc1)[N+](=O)[O-]
C#CCN(C(=O)NOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] C#CCN(C(=O)NO[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)NOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] C#CCN(C(=O)NOC[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)NOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)NOCc1ccccc1)[*:1]
C#CCN(C(=O)NOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] O=C(NOCc1ccccc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
CC(C)NC(=O)C(=O)N1CCN([C@H](C)C(=O)N(C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)NC(=O)C(=O)N1CCN(CC1)[C@H](C)C(=O)N(C)[*:1]
CC(C)NC(=O)C(=O)N1CCN([C@H](C)C(=O)N(C)c2ccccc2)CC1 CC(C)[*:1] C[C@H](C(=O)N(C)c1ccccc1)N1CCN(CC1)C(=O)C(=O)N[*:1]
Cc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)N[*:1]
Cc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1Cl C1CO[C@H](C1)[*:1] Cc1ccc(cc1Cl)NC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
Cc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1Cl Fc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)N[C@@H]([C@H]1CCCO1)[*:1]
Cc1ccc(N[C@H](C)C(=O)N(C)CCC#N)cc1Cl N#CC[*:1] Cc1ccc(cc1Cl)N[C@H](C)C(=O)N(C)C[*:1]
Cc1ccc(N[C@H](C)C(=O)N(C)CCC#N)cc1Cl N#CCC[*:1] Cc1ccc(cc1Cl)N[C@H](C)C(=O)N(C)[*:1]
C[C@@H](CN1CCN(C(=O)Nc2ccccc2)C1=S)OC(=O)Nc1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] C[C@@H](CN1CCN(C(=O)N[*:1])C1=S)OC(=O)Nc1ccc(Cl)c(Cl)c1
C[C@@H](CN1CCN(C(=O)Nc2ccccc2)C1=S)OC(=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@@H](CN1CCN(C(=O)Nc2ccccc2)C1=S)OC(=O)N[*:1]
O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)C[C@@H]2CCCCO2)c1 O=[N+]([O-])[*:1] O=S(=O)(C[C@@H]1CCCCO1)Oc1cc(ccc1Cl)[*:1]
O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)C[C@@H]2CCCCO2)c1 C1CC[C@H](OC1)[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)OS(=O)(=O)C[*:1]
CCc1c(C)nc(SCC(=O)NN)[nH]c1=O NNC(=O)[*:1] CCc1c(C)nc([nH]c1=O)SC[*:1]
CCc1c(C)nc(SCC(=O)NN)[nH]c1=O NNC(=O)C[*:1] CCc1c(C)nc([nH]c1=O)S[*:1]
CCn1cc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)cn1 CCn1cc(cn1)[*:1] Fc1ccc(cc1F)[C@@H]1CN(CCO1)C[*:1]
COc1cccc(OCC(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)c1 Clc1ccc2nc(sc2c1)[*:1] COc1cccc(c1)OCC(=O)N(Cc1cccnc1)[*:1]
COc1cccc(OCC(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)c1 c1cncc(c1)[*:1] COc1cccc(c1)OCC(=O)N(C[*:1])c1nc2ccc(Cl)cc2s1
COc1cccc(OCC(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)c1 COc1cccc(c1)[*:1] O=C(CO[*:1])N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1
COc1cccc(OCC(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)c1 COc1cccc(c1)O[*:1] O=C(C[*:1])N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1
COc1cccc(OCC(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)c1 c1cncc(c1)C[*:1] COc1cccc(c1)OCC(=O)N(c1nc2ccc(Cl)cc2s1)[*:1]
COc1cccc(OCC(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)c1 COc1cccc(c1)OC[*:1] O=C(N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1)[*:1]
CCS[C@@H]1CC[C@H](NC(=O)N2CCN(c3nc(C)cs3)CC2)C1 CCS[*:1] Cc1csc(n1)N1CCN(CC1)C(=O)N[C@H]1CC[C@H](C1)[*:1]
CCS[C@@H]1CC[C@H](NC(=O)N2CCN(c3nc(C)cs3)CC2)C1 Cc1csc(n1)[*:1] CCS[C@@H]1CC[C@@H](C1)NC(=O)N1CCN(CC1)[*:1]
COc1ncc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)cn1 Cc1n[nH]c(C)c1[*:1] COc1ncc(cn1)-c1cc(nc(N)c1C#N)[*:1]
COc1ncc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)cn1 COc1ncc(cn1)[*:1] Cc1n[nH]c(C)c1-c1cc(c(C#N)c(N)n1)[*:1]
Cc1nnc(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)n1N C1CCC(CC1)[*:1] Cc1nnc(SCC(=O)N([C@@H]2CCS(=O)(=O)C2)[*:1])n1N
Cc1nnc(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)n1N Cc1nnc(n1N)[*:1] O=C(CS[*:1])N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1
Cc1nnc(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)n1N Cc1nnc(S[*:1])n1N O=C(C[*:1])N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1
Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 c1ccc(cc1)CS[*:1] Cc1nnc(n1/N=C/c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)[*:1]
Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] Cc1nnc(S[*:1])n1/N=C/c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(c(c1)[*:1])N1CCCC1
Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cc1nnc(SC[*:1])n1/N=C/c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
O=C(NCc1nnc2n1CCCCC2)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(NCc1nnc2CCCCCn21)N[C@@H]1CCCC[C@H]1O[*:1]
O=C(NCc1nnc2n1CCCCC2)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(NCc1nnc2CCCCCn21)N[C@@H]1CCCC[C@@H]1[*:1]
CC1(C)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CCO1 c1csc(c1)[*:1] CC1(C)CN(CCO1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[*:1]
CC1(C)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CCO1 O=C(N[*:1])c1cccs1 CC1(C)CN(CCO1)C(=O)[C@@H](Cc1ccccc1)[*:1]
CC1(C)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CCO1 c1ccc(cc1)C[*:1] CC1(C)CN(CCO1)C(=O)[C@@H](NC(=O)c1cccs1)[*:1]
CC1(C)CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CCO1 c1ccc(cc1)[*:1] CC1(C)CN(CCO1)C(=O)[C@@H](C[*:1])NC(=O)c1cccs1
O=C(CNC(=O)NCc1ccc([N+]2=CCCC2)cc1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CNC(=O)NCc1ccc(cc1)[N+]1=CCCC1)N[*:1]
O=C(CNC(=O)NCc1ccc([N+]2=CCCC2)cc1)NCc1ccco1 c1coc(c1)[*:1] O=C(CNC(=O)NCc1ccc(cc1)[N+]1=CCCC1)NC[*:1]
C[C@H](OC(=O)[C@H](C)CCc1ccccc1F)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](OC(=O)[C@H](C)CCc1ccccc1F)[*:1]
C[C@H](OC(=O)[C@H](C)CCc1ccccc1F)[C@@H]1CCCO1 Fc1ccccc1[*:1] C[C@H](OC(=O)[C@H](C)CC[*:1])[C@@H]1CCCO1
CC(C)(C)CC(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)C[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)[*:1]
CC(C)(C)CC(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)C[*:1]
CC(C)(C)CC(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CC(C)(C)CC(=O)NCc1ccnc(c1)O[*:1]
CC(C)(C)CC(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CC(C)(C)CC(=O)NCc1ccnc(c1)[*:1]
C#CCNC(=O)N[C@@H](CC(C)C)c1ccccc1OC CC(C)[*:1] C#CCNC(=O)N[C@@H](C[*:1])c1ccccc1OC
C#CCNC(=O)N[C@@H](CC(C)C)c1ccccc1OC C#CC[*:1] COc1ccccc1[C@H](CC(C)C)NC(=O)N[*:1]
C#CCNC(=O)N[C@@H](CC(C)C)c1ccccc1OC CC(C)C[*:1] C#CCNC(=O)N[C@@H](c1ccccc1OC)[*:1]
Cc1cc(NC(=O)NC[C@H](O)c2ccccc2F)c2ncccc2c1 Fc1ccccc1[*:1] Cc1cc(NC(=O)NC[C@H](O)[*:1])c2ncccc2c1
Cc1[nH]c2nc(NCc3ccc(Cl)cc3)nn2c(=O)c1CCC(=O)N1CCCCC1 Clc1ccc(cc1)C[*:1] Cc1[nH]c2nc(nn2c(=O)c1CCC(=O)N1CCCCC1)N[*:1]
Cc1[nH]c2nc(NCc3ccc(Cl)cc3)nn2c(=O)c1CCC(=O)N1CCCCC1 O=C(CC[*:1])N1CCCCC1 Cc1[nH]c2nc(nn2c(=O)c1[*:1])NCc1ccc(Cl)cc1
Cc1[nH]c2nc(NCc3ccc(Cl)cc3)nn2c(=O)c1CCC(=O)N1CCCCC1 Clc1ccc(cc1)[*:1] Cc1[nH]c2nc(nn2c(=O)c1CCC(=O)N1CCCCC1)NC[*:1]
Cc1[nH]c2nc(NCc3ccc(Cl)cc3)nn2c(=O)c1CCC(=O)N1CCCCC1 Clc1ccc(cc1)CN[*:1] Cc1[nH]c2nc(nn2c(=O)c1CCC(=O)N1CCCCC1)[*:1]
Cc1[nH]c2nc(NCc3ccc(Cl)cc3)nn2c(=O)c1CCC(=O)N1CCCCC1 O=C(C[*:1])N1CCCCC1 Cc1[nH]c2nc(nn2c(=O)c1C[*:1])NCc1ccc(Cl)cc1
Cc1[nH]c2nc(NCc3ccc(Cl)cc3)nn2c(=O)c1CCC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] Cc1[nH]c2nc(nn2c(=O)c1CC[*:1])NCc1ccc(Cl)cc1
Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)Cc2csc(C(C)(C)C)n2)s1 Cc1cnc(s1)[*:1] CC(C)(C)c1nc(cs1)CC(=O)N1CSC[C@@H]1C(=O)N[*:1]
Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)Cc2csc(C(C)(C)C)n2)s1 CC(C)(C)[*:1] Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)Cc2csc(n2)[*:1])s1
COc1ccc(C2=NN(C(=O)CN3C(=O)CSC3=O)[C@H](c3ccc(Cl)cc3)C2)cc1 O=C1CSC(=O)N1[*:1] COc1ccc(cc1)C1C[C@@H](c2ccc(Cl)cc2)N(N=1)C(=O)C[*:1]
COc1ccc(C2=NN(C(=O)CN3C(=O)CSC3=O)[C@H](c3ccc(Cl)cc3)C2)cc1 O=C1CSC(=O)N1C[*:1] COc1ccc(cc1)C1C[C@@H](c2ccc(Cl)cc2)N(N=1)C(=O)[*:1]
COc1ccc(C2=NN(C(=O)CN3C(=O)CSC3=O)[C@H](c3ccc(Cl)cc3)C2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)CN1C(=O)CSC1=O)[*:1]
COc1ccc(C2=NN(C(=O)CN3C(=O)CSC3=O)[C@H](c3ccc(Cl)cc3)C2)cc1 COc1ccc(cc1)[*:1] O=C1CSC(=O)N1CC(=O)N1N=C(C[C@H]1c1ccc(Cl)cc1)[*:1]
Cn1c(=O)n2n(c1=O)[C@@H]1C=C[C@H]2[C@@]2(C3CC3)CCC[C@H]12 C1CC1[*:1] Cn1c(=O)n2[C@H]3C=C[C@H]([C@H]4CCC[C@@]43[*:1])n2c1=O
CNC(=O)c1cccc(NC(=O)N2CCC(n3cccc3)CC2)c1 c1ccn(c1)[*:1] CNC(=O)c1cccc(c1)NC(=O)N1CCC(CC1)[*:1]
CNC(=O)c1cccc(NC(=O)N2CCC(n3cccc3)CC2)c1 CNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC(CC1)n1cccc1
O=C(COc1cccc[n+]1[O-])N(C1CCCCC1)C1CCCCC1 [O-][n+]1ccccc1O[*:1] O=C(C[*:1])N(C1CCCCC1)C1CCCCC1
O=C(COc1cccc[n+]1[O-])N(C1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(COc1cccc[n+]1[O-])N(C1CCCCC1)[*:1]
O=C(COc1cccc[n+]1[O-])N(C1CCCCC1)C1CCCCC1 [O-][n+]1ccccc1[*:1] O=C(CO[*:1])N(C1CCCCC1)C1CCCCC1
O=C(COc1ccc2c(c1)CCC2)NCc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] O=C(COc1ccc2CCCc2c1)NCc1ccc(cc1)[*:1]
C[C@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 Oc1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)C(=O)Nc1ccc(cc1)-n1cncn1
C[C@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 Oc1ccc(cc1)CC[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)-n1cncn1)[*:1]
C[C@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 Oc1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1ccc(cc1)-n1cncn1
O=C(Nc1ccc(Cl)nc1)c1csc(-c2ccccc2F)n1 Fc1ccccc1[*:1] O=C(Nc1ccc(Cl)nc1)c1csc(n1)[*:1]
O=C(Nc1ccc(Cl)nc1)c1csc(-c2ccccc2F)n1 Clc1ccc(cn1)[*:1] O=C(N[*:1])c1csc(n1)-c1ccccc1F
CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C1 O=C([O-])[*:1] CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@H](C2)[*:1])C1
CNC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2Cl)cc1Cl CNC(=O)[*:1] CN(Cc1ccccc1Cl)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CNC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2Cl)cc1Cl Clc1ccccc1[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)N(C)C[*:1]
CNC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2Cl)cc1Cl Clc1ccccc1C[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)N(C)[*:1]
O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(C(F)(F)F)cc1 C1CC1[*:1] O=S(=O)(N[C@@H](c1ccccc1)[*:1])c1ccc(cc1)C(F)(F)F
O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(C(F)(F)F)cc1 c1ccc(cc1)[*:1] O=S(=O)(N[C@@H](C1CC1)[*:1])c1ccc(cc1)C(F)(F)F
O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(cc1)[*:1]
N#Cc1cccc(CNC(=O)Nc2cnn(-c3ncccn3)c2)c1 N#Cc1cccc(c1)[*:1] O=C(NC[*:1])Nc1cnn(c1)-c1ncccn1
N#Cc1cccc(CNC(=O)Nc2cnn(-c3ncccn3)c2)c1 c1cnc(nc1)[*:1] N#Cc1cccc(c1)CNC(=O)Nc1cnn(c1)[*:1]
CCC(=O)Nc1ccc(O)c(C(=O)N(C)Cc2nccs2)c1 c1csc(C[*:1])n1 CCC(=O)Nc1ccc(O)c(c1)C(=O)N(C)[*:1]
CCC(=O)Nc1ccc(O)c(C(=O)N(C)Cc2nccs2)c1 CCC(=O)N[*:1] CN(Cc1nccs1)C(=O)c1cc(ccc1O)[*:1]
CCC(=O)Nc1ccc(O)c(C(=O)N(C)Cc2nccs2)c1 c1csc(n1)[*:1] CCC(=O)Nc1ccc(O)c(c1)C(=O)N(C)C[*:1]
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1nc(-c2ccccc2)oc1C c1ccc(cc1)[*:1] Cc1cc2c(CC(C)(C)C[C@H]2NC(=O)Cc2nc(oc2C)[*:1])o1
CCn1ncc2c(C(=O)Nc3nc(-c4ccc(NC(C)=O)cc4)cs3)cc(-c3cccs3)nc21 CC(=O)N[*:1] CCn1ncc2c(cc(nc21)-c1cccs1)C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CCn1ncc2c(C(=O)Nc3nc(-c4ccc(NC(C)=O)cc4)cs3)cc(-c3cccs3)nc21 c1csc(c1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)Nc1nc(cs1)-c1ccc(cc1)NC(C)=O
CCn1ncc2c(C(=O)Nc3nc(-c4ccc(NC(C)=O)cc4)cs3)cc(-c3cccs3)nc21 CC(=O)Nc1ccc(cc1)[*:1] CCn1ncc2c(cc(nc21)-c1cccs1)C(=O)Nc1nc(cs1)[*:1]
CN(c1ncccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CCCCC1 C1CCC(CC1)[*:1] CN(c1ncccc1C(=O)N1CCC(CC1)c1[nH]cc[nH+]1)[*:1]
CN(c1ncccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CCCCC1 CN(C1CCCCC1)[*:1] O=C(c1cccnc1[*:1])N1CCC(CC1)c1[nH]cc[nH+]1
Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c1 Cc1cccc(c1)[*:1] C[C@H]1Cc2ccc(cc2N1C(=O)c1ccccc1)CNS(=O)(=O)[*:1]
Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)NCc1ccc2C[C@H](C)N(C(=O)[*:1])c2c1
CC(C)[NH2+]Cc1cc(F)ccc1N1CCC[C@@H]1C(N)=O NC(=O)[*:1] CC(C)[NH2+]Cc1cc(F)ccc1N1CCC[C@H]1[*:1]
CC(C)[NH2+]Cc1cc(F)ccc1N1CCC[C@@H]1C(N)=O CC(C)[*:1] NC(=O)[C@H]1CCCN1c1ccc(F)cc1C[NH2+][*:1]
O=C(CN1CCN(c2cccc[nH+]2)CC1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 O=S(=O)(N1CCCCCC1)[*:1] O=C(CN1CCN(CC1)c1cccc[nH+]1)Nc1cccc(c1)[*:1]
O=C(Cn1cnnn1)NNC(=O)NCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cn1cnnn1)NNC(=O)NCc1cccc(c1)[*:1]
O=C(Cn1cnnn1)NNC(=O)NCc1cccc(C(F)(F)F)c1 c1nnnn1C[*:1] O=C(NCc1cccc(c1)C(F)(F)F)NNC(=O)[*:1]
O=C(Cn1cnnn1)NNC(=O)NCc1cccc(C(F)(F)F)c1 c1nnnn1[*:1] O=C(C[*:1])NNC(=O)NCc1cccc(c1)C(F)(F)F
Cc1n[nH]c(C)c1CCOC(=O)C1(c2cccc(F)c2)CCC1 Cc1n[nH]c(C)c1[*:1] O=C(OCC[*:1])C1(CCC1)c1cccc(F)c1
Cc1n[nH]c(C)c1CCOC(=O)C1(c2cccc(F)c2)CCC1 Fc1cccc(c1)[*:1] Cc1n[nH]c(C)c1CCOC(=O)C1(CCC1)[*:1]
O=C(NCc1nc(-c2cccs2)no1)C1CC[NH+](Cc2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(NCc1nc(no1)-c1cccs1)C1CC[NH+](CC1)C[*:1]
O=C(NCc1nc(-c2cccs2)no1)C1CC[NH+](Cc2ccccc2Cl)CC1 Clc1ccccc1C[*:1] O=C(NCc1nc(no1)-c1cccs1)C1CC[NH+](CC1)[*:1]
O=C(NCc1nc(-c2cccs2)no1)C1CC[NH+](Cc2ccccc2Cl)CC1 c1csc(c1)[*:1] O=C(NCc1nc(no1)[*:1])C1CC[NH+](CC1)Cc1ccccc1Cl
CCC(CC)[NH2+][C@@H]1CCCN(c2cccnn2)C1 c1cnnc(c1)[*:1] CCC(CC)[NH2+][C@@H]1CCCN(C1)[*:1]
CCC(CC)[NH2+][C@@H]1CCCN(c2cccnn2)C1 CCC(CC)[*:1] c1cnnc(c1)N1CCC[C@H](C1)[NH2+][*:1]
COCCC[NH+]1CCC(CCc2ccc(C)cc2)CC1 COCC[*:1] Cc1ccc(cc1)CCC1CC[NH+](CC1)C[*:1]
COCCC[NH+]1CCC(CCc2ccc(C)cc2)CC1 COCCC[*:1] Cc1ccc(cc1)CCC1CC[NH+](CC1)[*:1]
COCCC[NH+]1CCC(CCc2ccc(C)cc2)CC1 COC[*:1] Cc1ccc(cc1)CCC1CC[NH+](CC1)CC[*:1]
CC(C)NC(=O)CCc1cc2n(n1)CCC[NH+](CCC(N)=O)C2 CC(C)NC(=O)C[*:1] NC(=O)CC[NH+]1CCCn2nc(cc2C1)C[*:1]
CC(C)NC(=O)CCc1cc2n(n1)CCC[NH+](CCC(N)=O)C2 NC(=O)C[*:1] CC(C)NC(=O)CCc1cc2C[NH+](CCCn2n1)C[*:1]
CC(C)NC(=O)CCc1cc2n(n1)CCC[NH+](CCC(N)=O)C2 NC(=O)CC[*:1] CC(C)NC(=O)CCc1cc2C[NH+](CCCn2n1)[*:1]
CC(C)NC(=O)CCc1cc2n(n1)CCC[NH+](CCC(N)=O)C2 CC(C)NC(=O)[*:1] NC(=O)CC[NH+]1CCCn2nc(cc2C1)CC[*:1]
CC(C)NC(=O)CCc1cc2n(n1)CCC[NH+](CCC(N)=O)C2 NC(=O)[*:1] CC(C)NC(=O)CCc1cc2C[NH+](CCCn2n1)CC[*:1]
CC(C)NC(=O)CCc1cc2n(n1)CCC[NH+](CCC(N)=O)C2 CC(C)[*:1] NC(=O)CC[NH+]1CCCn2nc(cc2C1)CCC(=O)N[*:1]
CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2C#N)cc1 CCO[*:1] N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2C#N)cc1 N#Cc1ccccc1[*:1] CCOc1ccc(cc1)[C@@H]1CCCN1S(=O)(=O)[*:1]
c1cc(NC2CCOCC2)ccc1CCN1CCOCC1 C1CC(CCO1)N[*:1] c1cc(ccc1CCN1CCOCC1)[*:1]
c1cc(NC2CCOCC2)ccc1CCN1CCOCC1 C1CN(CCO1)C[*:1] c1cc(ccc1C[*:1])NC1CCOCC1
c1cc(NC2CCOCC2)ccc1CCN1CCOCC1 C1CC(CCO1)[*:1] c1cc(ccc1CCN1CCOCC1)N[*:1]
c1cc(NC2CCOCC2)ccc1CCN1CCOCC1 C1CN(CCO1)[*:1] c1cc(ccc1CC[*:1])NC1CCOCC1
CC(C)NC(=O)C[C@H](C#N)Nc1ccc(F)cc1 CC(C)[*:1] N#C[C@@H](CC(=O)N[*:1])Nc1ccc(F)cc1
CC(C)NC(=O)C[C@H](C#N)Nc1ccc(F)cc1 CC(C)NC(=O)[*:1] N#C[C@@H](C[*:1])Nc1ccc(F)cc1
COc1ccccc1CC(=O)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccccc1CC(=O)N1CC[NH+](CC1)C[*:1]
COc1ccccc1CC(=O)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] COc1ccccc1CC(=O)N1CC[NH+](CC1)[*:1]
COc1ccccc1CC(=O)N1CC[NH+](CCc2ccccc2)CC1 COc1ccccc1[*:1] O=C(C[*:1])N1CC[NH+](CCc2ccccc2)CC1
COc1ccccc1CC(=O)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1CC(=O)N1CC[NH+](CC1)CC[*:1]
CCOC(=O)[C@@H]1CCCCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C CCOC(=O)[*:1] Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1[*:1]
CSc1ccc(/C=N\N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] CSc1ccc(/C=N\N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)N[*:1])cc1
CSc1ccc(/C=N\N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccccc2)cc1 CSc1ccc(cc1)[*:1] CC1(C)SC(=S)N(N=C[*:1])[C@@H]1N(O)C(=O)Nc1ccccc1
O=C([O-])CCCC(=O)Nc1ccccc1F O=C([O-])[*:1] O=C(CCC[*:1])Nc1ccccc1F
O=C([O-])CCCC(=O)Nc1ccccc1F O=C([O-])CC[*:1] O=C(C[*:1])Nc1ccccc1F
O=C([O-])CCCC(=O)Nc1ccccc1F O=C([O-])C[*:1] O=C(CC[*:1])Nc1ccccc1F
CC(C)(C)[NH2+]CCc1nnc(C2(C)CCCC2)s1 CC1(CCCC1)[*:1] CC(C)(C)[NH2+]CCc1nnc(s1)[*:1]
CC(C)(C)[NH2+]CCc1nnc(C2(C)CCCC2)s1 CC(C)(C)[*:1] CC1(CCCC1)c1nnc(CC[NH2+][*:1])s1
CCc1ccc(CCNC(=O)c2ccnc(C(=O)OC)c2)cc1 COC(=O)[*:1] CCc1ccc(cc1)CCNC(=O)c1ccnc(c1)[*:1]
O=C(NCc1ccc(Cl)nc1)N1CCN(c2ccc(F)cn2)CC1 Fc1ccc(nc1)[*:1] O=C(NCc1ccc(Cl)nc1)N1CCN(CC1)[*:1]
O=C(NCc1ccc(Cl)nc1)N1CCN(c2ccc(F)cn2)CC1 Clc1ccc(cn1)C[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(F)cn1
O=C(NCc1ccc(Cl)nc1)N1CCN(c2ccc(F)cn2)CC1 Clc1ccc(cn1)[*:1] O=C(NC[*:1])N1CCN(CC1)c1ccc(F)cn1
C[C@H](Cc1ccccc1)C(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Cc1ccccc1)C(=O)NCc1nccn1[*:1]
C[C@H](Cc1ccccc1)C(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](C(=O)NCc1nccn1Cc1ccccc1)[*:1]
C[C@H](Cc1ccccc1)C(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](C[*:1])C(=O)NCc1nccn1Cc1ccccc1
C[C@H](Cc1ccccc1)C(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cc1ccccc1)C(=O)NCc1nccn1C[*:1]
COC(=O)C[C@H](NC(=O)c1cc(C)n(C)n1)C1CC1 COC(=O)[*:1] Cc1cc(nn1C)C(=O)N[C@@H](C[*:1])C1CC1
COC(=O)C[C@H](NC(=O)c1cc(C)n(C)n1)C1CC1 COC(=O)C[*:1] Cc1cc(nn1C)C(=O)N[C@H](C1CC1)[*:1]
COC(=O)C[C@H](NC(=O)c1cc(C)n(C)n1)C1CC1 C1CC1[*:1] COC(=O)C[C@H](NC(=O)c1cc(C)n(C)n1)[*:1]
COc1ccccc1C(=O)NCC(=O)N[C@@H](C)c1ncc(C)s1 Cc1cnc(s1)[*:1] COc1ccccc1C(=O)NCC(=O)N[C@@H](C)[*:1]
C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)Nc1ncc2C(=O)C[C@@H](Cc2n1)[*:1]
Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](Cc2nc(ncc21)NC(=O)[*:1])c1ccc(F)cc1
O=C(OCCc1c[nH]nc1C(F)(F)F)c1cncc(Br)c1 FC(F)(F)[*:1] O=C(OCCc1c[nH]nc1[*:1])c1cncc(Br)c1
O=C(OCCc1c[nH]nc1C(F)(F)F)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C(OCCc1c[nH]nc1C(F)(F)F)[*:1]
Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cc(=O)[nH]c2ccccc12
Cc1ccc(C)c(CC2(CC(C)C)C[NH2+]C2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)CC1(C[NH2+]C1)C[*:1]
Cc1ccc(C)c(CC2(CC(C)C)C[NH2+]C2)c1 CC(C)C[*:1] Cc1ccc(C)c(c1)CC1(C[NH2+]C1)[*:1]
c1ccc(CCCOc2ccc(-n3cnnn3)cc2)cc1 c1ccc(cc1)[*:1] c1cc(ccc1OCCC[*:1])-n1cnnn1
c1ccc(CCCOc2ccc(-n3cnnn3)cc2)cc1 c1ccc(cc1)C[*:1] c1cc(ccc1OCC[*:1])-n1cnnn1
c1ccc(CCCOc2ccc(-n3cnnn3)cc2)cc1 c1nnnn1[*:1] c1ccc(cc1)CCCOc1ccc(cc1)[*:1]
CC(C)Cn1nnnc1SCN1C(=O)c2ccccc2C1=O CC(C)C[*:1] O=C1c2ccccc2C(=O)N1CSc1nnnn1[*:1]
CC(C)Cn1nnnc1SCN1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C1c2ccccc2C(=O)N1CSc1nnnn1C[*:1]
COC(=O)C1CCN(S(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)CC1 COC(=O)[*:1] O=C1CCCC(=O)N1c1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
COC(=O)C1CCN(S(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)CC1 O=C1CCCC(=O)N1[*:1] COC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC[NH+]1CCN([C@@H](c2ccc(OC)cc2)c2nnnn2C(C)(C)CC)CC1 CCC(C)(C)[*:1] CC[NH+]1CCN(CC1)[C@@H](c1ccc(cc1)OC)c1nnnn1[*:1]
CC[NH+]1CCN([C@@H](c2ccc(OC)cc2)c2nnnn2C(C)(C)CC)CC1 COc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)[C@@H](c1nnnn1C(C)(C)CC)[*:1]
CCOCC/C([O-])=N/S(=O)(=O)N1CCCC1 CCO[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])N1CCCC1
CCOCC/C([O-])=N/S(=O)(=O)N1CCCC1 CCOC[*:1] O=S(=O)(/N=C(\[O-])C[*:1])N1CCCC1
CCOCC/C([O-])=N/S(=O)(=O)N1CCCC1 CCOCC[*:1] O=S(=O)(/N=C(\[O-])[*:1])N1CCCC1
C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)[C@H](C)C1 O=C1CCCN1[*:1] C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(c2)[*:1])[C@H](C)C1
CC(C)Cc1cc(-c2nn3c(C4CC4)nnc3s2)n(C)n1 CC(C)[*:1] Cn1nc(cc1-c1nn2c(nnc2s1)C1CC1)C[*:1]
CC(C)Cc1cc(-c2nn3c(C4CC4)nnc3s2)n(C)n1 CC(C)C[*:1] Cn1nc(cc1-c1nn2c(nnc2s1)C1CC1)[*:1]
CC(C)Cc1cc(-c2nn3c(C4CC4)nnc3s2)n(C)n1 C1CC1[*:1] CC(C)Cc1cc(-c2nn3c(nnc3s2)[*:1])n(C)n1
O=S(=O)(Cc1cccc(F)c1)N1CCCSC[C@@H]1C[NH+]1CCCC1 Fc1cccc(c1)C[*:1] O=S(=O)(N1CCCSC[C@@H]1C[NH+]1CCCC1)[*:1]
O=S(=O)(Cc1cccc(F)c1)N1CCCSC[C@@H]1C[NH+]1CCCC1 Fc1cccc(c1)[*:1] O=S(=O)(C[*:1])N1CCCSC[C@@H]1C[NH+]1CCCC1
Cc1ncccc1C(=O)Nc1ccccc1C(=O)[O-] O=C([O-])[*:1] Cc1ncccc1C(=O)Nc1ccccc1[*:1]
Cc1ccc(-n2c(SCC(C)(C)O)nc3ccccc3c2=O)cc1C CC(C)(O)CS[*:1] Cc1ccc(cc1C)-n1c(nc2ccccc2c1=O)[*:1]
Cc1ccc(-n2c(SCC(C)(C)O)nc3ccccc3c2=O)cc1C Cc1ccc(cc1C)[*:1] CC(C)(O)CSc1nc2ccccc2c(=O)n1[*:1]
Cc1ccc(-n2c(SCC(C)(C)O)nc3ccccc3c2=O)cc1C CC(C)(O)C[*:1] Cc1ccc(cc1C)-n1c(nc2ccccc2c1=O)S[*:1]
Cc1ccc(-n2c(SCC(C)(C)O)nc3ccccc3c2=O)cc1C CC(C)(O)[*:1] Cc1ccc(cc1C)-n1c(nc2ccccc2c1=O)SC[*:1]
O=C(Nc1ccccc1Cl)Nc1nn(Cc2ccccc2F)cc1Cl Clc1ccccc1[*:1] O=C(Nc1nn(cc1Cl)Cc1ccccc1F)N[*:1]
O=C(Nc1ccccc1Cl)Nc1nn(Cc2ccccc2F)cc1Cl Fc1ccccc1[*:1] O=C(Nc1ccccc1Cl)Nc1nn(cc1Cl)C[*:1]
O=C(Nc1ccccc1Cl)Nc1nn(Cc2ccccc2F)cc1Cl Fc1ccccc1C[*:1] O=C(Nc1ccccc1Cl)Nc1nn(cc1Cl)[*:1]
CCC(CC)c1nnc(NC(=O)C(=O)N[C@H](C)c2cc3ccccc3o2)s1 c1ccc2oc(cc2c1)[*:1] CCC(CC)c1nnc(NC(=O)C(=O)N[C@H](C)[*:1])s1
CCC(CC)c1nnc(NC(=O)C(=O)N[C@H](C)c2cc3ccccc3o2)s1 CCC(CC)[*:1] C[C@@H](NC(=O)C(=O)Nc1nnc(s1)[*:1])c1cc2ccccc2o1
CC(C)n1ncc2cc(/C=C/C(=O)N[C@H]3C[C@H]3C)c(=O)[nH]c21 CC(C)[*:1] C[C@@H]1C[C@@H]1NC(=O)/C=C/c1cc2cnn(c2[nH]c1=O)[*:1]
CC(C)n1ncc2cc(/C=C/C(=O)N[C@H]3C[C@H]3C)c(=O)[nH]c21 C[C@@H]1C[C@@H]1NC(=O)[*:1] CC(C)n1ncc2cc(C=C[*:1])c(=O)[nH]c21
Cc1cc(NCCNC(=O)c2ccccc2Cl)n2nc(C)c(C)c2n1 Clc1ccccc1[*:1] Cc1cc(NCCNC(=O)[*:1])n2nc(C)c(C)c2n1
CCc1ccsc1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 O=C(N1CCOCC1)[*:1] CCc1ccsc1C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCc1ccsc1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 CCc1ccsc1[*:1] O=C(c1ccc(cc1Cl)NC(=O)[*:1])N1CCOCC1
N#CC1=C(N)n2c(sc(=O)c2=Cc2c(F)cccc2Cl)=C(C#N)[C@H]1c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] N#CC1=C(N)n2c(sc(=O)c2=C[*:1])=C(C#N)[C@H]1c1c(F)cccc1Cl
N#CC1=C(N)n2c(sc(=O)c2=Cc2c(F)cccc2Cl)=C(C#N)[C@H]1c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] N#CC1=C(N)n2c(sc(=O)c2=Cc2c(F)cccc2Cl)=C(C#N)[C@@H]1[*:1]
CCOc1cc(C(=O)Nc2ncc(C)s2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCOc1cc(nn1[*:1])C(=O)Nc1ncc(C)s1
CCOc1cc(C(=O)Nc2ncc(C)s2)nn1-c1ccccc1 CCO[*:1] Cc1cnc(NC(=O)c2cc(n(n2)-c2ccccc2)[*:1])s1
CCOc1cc(C(=O)Nc2ncc(C)s2)nn1-c1ccccc1 Cc1cnc(s1)[*:1] CCOc1cc(nn1-c1ccccc1)C(=O)N[*:1]
CSCC(=O)NNC(=O)[C@H]1C[C@@H]1c1sccc1C CSC[*:1] Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNC(=O)[*:1]
CSCC(=O)NNC(=O)[C@H]1C[C@@H]1c1sccc1C Cc1ccsc1[*:1] CSCC(=O)NNC(=O)[C@H]1C[C@H]1[*:1]
CCCCc1nc(-c2cccc(Oc3ccc4nnc(C)n4n3)c2)no1 CCC[*:1] Cc1nnc2ccc(nn12)Oc1cccc(c1)-c1noc(C[*:1])n1
CCCCc1nc(-c2cccc(Oc3ccc4nnc(C)n4n3)c2)no1 CCCC[*:1] Cc1nnc2ccc(nn12)Oc1cccc(c1)-c1noc(n1)[*:1]
COCc1nc2nnc(-c3ccnc(N4c5ccccc5C[C@@H]4C)n3)c(C)n2n1 COC[*:1] Cc1c(nnc2nc(nn12)[*:1])-c1ccnc(n1)N1c2ccccc2C[C@@H]1C
CCCS(=O)(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 CCC[*:1] O=S(=O)(N1CCN(CC1)Cc1nc(cs1)-c1ccc(F)cc1)[*:1]
CCCS(=O)(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 Fc1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCN(CC1)Cc1nc(cs1)[*:1]
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1 CC(C)c1nnc(s1)[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)N[*:1]
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1 CC(C)[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)Nc1nnc(s1)[*:1]
CC(=O)OC1=C(C(C)=O)N(C(C)=O)S(=O)(=O)c2ccccc21 CC(=O)O[*:1] CC(=O)C1=C(c2ccccc2S(=O)(=O)N1C(C)=O)[*:1]
CC(=O)OC1=C(C(C)=O)N(C(C)=O)S(=O)(=O)c2ccccc21 CC(=O)[*:1] CC(=O)OC1=C(N(C(C)=O)S(=O)(=O)c2ccccc21)[*:1]
O=C(C[C@@H](c1ccco1)n1cccc1)Nc1cccc(Cl)c1 c1ccn(c1)[*:1] O=C(C[C@@H](c1ccco1)[*:1])Nc1cccc(Cl)c1
O=C(C[C@@H](c1ccco1)n1cccc1)Nc1cccc(Cl)c1 c1coc(c1)[*:1] O=C(C[C@@H](n1cccc1)[*:1])Nc1cccc(Cl)c1
O=C(C[C@@H](c1ccco1)n1cccc1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(C[C@@H](c1ccco1)n1cccc1)N[*:1]
COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2cccc(Br)c2)cc1Cl Brc1cccc(c1)[*:1] COc1ccc(cc1Cl)N1C(=O)[C@H]2CCCN2[C@@H]1[*:1]
O=C(NO[C@@H]1CCCCO1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NO[C@@H]1CCCCO1)c1ccc(cc1)CS[*:1]
CCOC(=O)C1(C)CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 FC(F)O[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)Nc1ccc(cc1)OC(F)F)[*:1]
CCOC(=O)C1(C)CCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 FC(F)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)Nc1ccc(cc1)O[*:1]
CC(C)c1noc(CCCC(=O)N[C@@H](C)c2ccccn2)n1 c1ccc(nc1)[*:1] CC(C)c1noc(CCCC(=O)N[C@@H](C)[*:1])n1
CC(C)c1noc(CCCC(=O)N[C@@H](C)c2ccccn2)n1 CC(C)[*:1] C[C@H](NC(=O)CCCc1nc(no1)[*:1])c1ccccn1
CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1=O O=S(=O)(N1CCCCC1)[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1=O CC(C)(C)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)[C@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(Cl)cc2)O3)cc1 CCOc1ccc(cc1)C[*:1] O=C1Nc2cc(ccc2O/C1=C/c1ccc(Cl)cc1)C(=O)N[*:1]
CCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(Cl)cc2)O3)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)CNC(=O)c1ccc2OC(=C[*:1])C(=O)Nc2c1
CCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(Cl)cc2)O3)cc1 CCOc1ccc(cc1)[*:1] O=C1Nc2cc(ccc2O/C1=C/c1ccc(Cl)cc1)C(=O)NC[*:1]
CCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(Cl)cc2)O3)cc1 CCO[*:1] O=C1Nc2cc(ccc2O/C1=C/c1ccc(Cl)cc1)C(=O)NCc1ccc(cc1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)c3cccc4ccccc34)CC2=O)cc1C c1ccc2c(cccc2c1)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)NC[C@H](O)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)c3cccc4ccccc34)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NC[C@H](O)c1cccc2ccccc12)[C@H]1CC(=O)N(C1)[*:1]
Cn1cc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cn1 Fc1ccc(cc1)[*:1] Cn1cc(cn1)C(=O)N1CCC(CC1)OC[*:1]
Cn1cc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cn1 Cn1cc(cn1)[*:1] O=C(N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
CCCCN1C[C@H](C(=O)N2CC[NH+](C)CC2)CC1=O CCCC[*:1] C[NH+]1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCCCN1C[C@H](C(=O)N2CC[NH+](C)CC2)CC1=O CCC[*:1] C[NH+]1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
O=C1NC2(CCCC2)C(=O)N1Cc1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C1NC2(CCCC2)C(=O)N1C[*:1]
COc1ccc(CC(=O)NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 CC(=O)[*:1] COc1ccc(cc1)CC(=O)NNC(=O)c1[nH]c(C)c(c1C)[*:1]
COc1ccc(CC(=O)NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 COc1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)C[*:1])c1C
Cc1ccc(-n2nnnc2SCc2nc(-c3cc(Br)cs3)no2)cc1C Brc1csc(c1)[*:1] Cc1ccc(cc1C)-n1nnnc1SCc1nc(no1)[*:1]
Cc1ccc(-n2nnnc2SCc2nc(-c3cc(Br)cs3)no2)cc1C Cc1ccc(cc1C)[*:1] Brc1csc(c1)-c1noc(CSc2nnnn2[*:1])n1
CC/[NH+]=C(/NCc1ccc(Cl)cc1Cl)NCC1([O-])CCC1 [O-]C1(CCC1)[*:1] CC/[NH+]=C(/NCc1ccc(Cl)cc1Cl)NC[*:1]
CC/[NH+]=C(/NCc1ccc(Cl)cc1Cl)NCC1([O-])CCC1 [O-]C1(CCC1)C[*:1] CC/[NH+]=C(/NCc1ccc(Cl)cc1Cl)N[*:1]
Cc1noc(CN2CCN(c3cc[nH+]c(C(C)(C)C)n3)CC2)n1 Cc1noc(C[*:1])n1 CC(C)(C)c1nc(cc[nH+]1)N1CCN(CC1)[*:1]
Cc1noc(CN2CCN(c3cc[nH+]c(C(C)(C)C)n3)CC2)n1 CC(C)(C)[*:1] Cc1noc(CN2CCN(CC2)c2cc[nH+]c(n2)[*:1])n1
Cc1noc(CN2CCN(c3cc[nH+]c(C(C)(C)C)n3)CC2)n1 Cc1noc(n1)[*:1] CC(C)(C)c1nc(cc[nH+]1)N1CCN(CC1)C[*:1]
C[NH+](C)CCNC(=O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C Clc1ccc(cc1)[*:1] C[NH+](C)CCNC(=O)[C@@H]1CS[C@H](N1C(=O)OC(C)(C)C)[*:1]
C[NH+](C)CCNC(=O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[NH+](C)CCNC(=O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)O[*:1]
CCS(=O)(=O)CCCN1C(=O)C(=O)c2cccc(F)c21 CCS(=O)(=O)[*:1] O=C1C(=O)N(CCC[*:1])c2c(F)cccc21
CCS(=O)(=O)CCCN1C(=O)C(=O)c2cccc(F)c21 CCS(=O)(=O)C[*:1] O=C1C(=O)N(CC[*:1])c2c(F)cccc21
Nc1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ncnc(NCc2ccc(F)cc2)c1[*:1]
Cc1ccc(C(=O)N(C)CCC#N)cc1 N#CC[*:1] Cc1ccc(cc1)C(=O)N(C)C[*:1]
Cc1ccc(C(=O)N(C)CCC#N)cc1 N#CCC[*:1] Cc1ccc(cc1)C(=O)N(C)[*:1]
CC[C@@H](NC(=O)/C=C/c1cccc(OC)c1)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)/C=C/c1cccc(c1)OC)[*:1]
CC(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1 CC(=O)[C@H](C)S[*:1] O=c1[nH]c(C[*:1])nc2ccccc12
CC(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1 CC(=O)[*:1] C[C@H](SCc1nc2ccccc2c(=O)[nH]1)[*:1]
CC(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1 CC(=O)[C@H](C)[*:1] O=c1[nH]c(CS[*:1])nc2ccccc12
O=C(/C=C/c1ccccc1)Nc1cccc(OCc2cccnc2)c1 C(=C[*:1])c1ccccc1 O=C(Nc1cccc(c1)OCc1cccnc1)[*:1]
O=C(/C=C/c1ccccc1)Nc1cccc(OCc2cccnc2)c1 c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1cccc(c1)OCc1cccnc1
O=C(/C=C/c1ccccc1)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] O=C(/C=C/c1ccccc1)Nc1cccc(c1)OC[*:1]
O=C(/C=C/c1ccccc1)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] O=C(/C=C/c1ccccc1)Nc1cccc(c1)O[*:1]
O=C(/C=C/c1ccccc1)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)CO[*:1] O=C(/C=C/c1ccccc1)Nc1cccc(c1)[*:1]
C[C@@H](NC(N)=O)C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 C[C@@H](NC(N)=O)[*:1] O=C(N1CCCCC[C@H]1/C=C/c1ccccc1)[*:1]
C[C@@H](NC(N)=O)C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(N)=O)C(=O)N1CCCCC[C@H]1C=C[*:1]
C[C@@H](NC(N)=O)C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 NC(=O)N[*:1] C[C@@H](C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1)[*:1]
C[NH+](Cc1nc2c(N)cccc2o1)CC1CCCC1 C1CCC(C1)C[*:1] C[NH+](Cc1nc2c(N)cccc2o1)[*:1]
C[NH+](Cc1nc2c(N)cccc2o1)CC1CCCC1 C1CCC(C1)[*:1] C[NH+](Cc1nc2c(N)cccc2o1)C[*:1]
CNC(=O)c1ccc(CN(C)C(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 CC(=O)N[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)C[C@@H](c1ccccc1)[*:1]
CNC(=O)c1ccc(CN(C)C(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 CNC(=O)[*:1] CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(cc1)[*:1])c1ccccc1
CNC(=O)c1ccc(CN(C)C(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)CN(C)C(=O)C[C@@H](NC(C)=O)[*:1]
C[C@@H](Sc1ccccn1)C(=O)N(C)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](Sc1ccccn1)C(=O)N(C)C[*:1]
C[C@@H](Sc1ccccn1)C(=O)N(C)Cc1cnn(C)c1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)N(C)Cc1cnn(C)c1
COc1ccc(/C(Cl)=N/O)cc1 O/N=C(\Cl)[*:1] COc1ccc(cc1)[*:1]
COc1ccc(C)cc1-n1c(SCC2=NC(=O)[C@@H]3SC=CC3=N2)nnc1-c1cccs1 c1csc(c1)[*:1] COc1ccc(C)cc1-n1c(nnc1[*:1])SCC1=NC(=O)[C@@H]2SC=CC2=N1
COc1ccc(C)cc1-n1c(SCC2=NC(=O)[C@@H]3SC=CC3=N2)nnc1-c1cccs1 COc1ccc(C)cc1[*:1] O=C1N=C(CSc2nnc(-c3cccs3)n2[*:1])N=C2C=CS[C@@H]12
COc1ccc(S(=O)(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)NNS(=O)(=O)[*:1])OC
C[S@](=O)C[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 c1ccc(cc1)[*:1] C[S@](=O)C[C@H](NC(=O)Nc1ccc2OCCOc2c1)[*:1]
Cc1ccc(CN[C@H](c2ccc(F)cc2)c2[nH+]ccn2C)cc1F Fc1ccc(cc1)[*:1] Cc1ccc(cc1F)CN[C@H](c1[nH+]ccn1C)[*:1]
Cc1ccc(CN[C@H](c2ccc(F)cc2)c2[nH+]ccn2C)cc1F Cc1ccc(cc1F)[*:1] Cn1cc[nH+]c1[C@H](NC[*:1])c1ccc(F)cc1
C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2CN2CCOCC2)[C@H](C)C1 C1CN(CCO1)C[*:1] C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H]2[*:1])[C@H](C)C1
C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2CN2CCOCC2)[C@H](C)C1 C1CN(CCO1)[*:1] C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[*:1])[C@H](C)C1
Cc1ccccc1[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(C)(C)C Cc1ccccc1[*:1] C[NH+](C)C1CCN(CCNC(=O)N[C@@H](C(C)(C)C)[*:1])CC1
Cc1ccccc1[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@@H](NC(=O)NCCN1CCC(CC1)[NH+](C)C)[*:1]
Cc1nc(C[NH2+]CC2(CC(C)C)CCCC2)cs1 CC(C)C[*:1] Cc1nc(cs1)C[NH2+]CC1(CCCC1)[*:1]
Cc1nc(C[NH2+]CC2(CC(C)C)CCCC2)cs1 Cc1nc(cs1)[*:1] CC(C)CC1(CCCC1)C[NH2+]C[*:1]
Cc1nc(C[NH2+]CC2(CC(C)C)CCCC2)cs1 CC(C)[*:1] Cc1nc(cs1)C[NH2+]CC1(CCCC1)C[*:1]
N/C(Cc1ccccc1)=N\OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 c1coc(c1)[*:1] N/C(Cc1ccccc1)=N\OCC(=O)N1N=C(C[C@H]1[*:1])c1ccc(Cl)cc1
N/C(Cc1ccccc1)=N\OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 c1ccc(cc1)C[*:1] N/C(=N\OCC(=O)N1N=C(C[C@@H]1c1ccco1)c1ccc(Cl)cc1)[*:1]
N/C(Cc1ccccc1)=N\OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 c1ccc(cc1)[*:1] N/C(C[*:1])=N\OCC(=O)N1N=C(C[C@@H]1c1ccco1)c1ccc(Cl)cc1
N/C(Cc1ccccc1)=N\OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 Clc1ccc(cc1)[*:1] N/C(Cc1ccccc1)=N\OCC(=O)N1N=C(C[C@@H]1c1ccco1)[*:1]
COc1ccc([C@@H](C)NC(=O)c2cn(-c3ccc(C)cc3)nn2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1cc(nn1)C(=O)N[C@H](C)[*:1]
COc1ccc([C@@H](C)NC(=O)c2cn(-c3ccc(C)cc3)nn2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](C)NC(=O)c1cn(nn1)[*:1]
COCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] COCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1[*:1]
COCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C)o1 COCC[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1C[*:1]
COCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C)o1 COCCC[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1[*:1]
COCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C)o1 Cc1nc(C)c(s1)[*:1] COCCCN1C(=O)C(O)=C(C(=O)[*:1])[C@@H]1c1ccc(C)o1
COCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C)o1 Cc1nc(C)c(s1)C(=O)[*:1] COCCCN1C(=O)C(O)=C([C@@H]1c1ccc(C)o1)[*:1]
COCCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(C)o1 COC[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CC[*:1]
CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1sc2ccccc2c1Cl c1ccc(cc1)[*:1] CC[C@H](O[*:1])C(=O)NNC(=O)c1sc2ccccc2c1Cl
CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1sc2ccccc2c1Cl c1ccc(cc1)O[*:1] CC[C@H](C(=O)NNC(=O)c1sc2ccccc2c1Cl)[*:1]
CCN(CC)C(=O)c1ccc(S(=O)(=O)Oc2ccc(-c3nc(C)cs3)cc2)cc1 CCN(CC)C(=O)[*:1] Cc1csc(n1)-c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)[*:1]
CCN(CC)C(=O)c1ccc(S(=O)(=O)Oc2ccc(-c3nc(C)cs3)cc2)cc1 Cc1csc(n1)[*:1] CCN(CC)C(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)[*:1]
Cc1nc2ccc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc4ccccc4c3)cc2o1 c1ccc(cc1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)[C@@H](C[*:1])NS(=O)(=O)c1ccc2ccccc2c1
Cc1nc2ccc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc4ccccc4c3)cc2o1 c1ccc(cc1)C[*:1] Cc1nc2ccc(cc2o1)NC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[*:1]
Cc1nc2ccc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc4ccccc4c3)cc2o1 Cc1nc2ccc(cc2o1)[*:1] O=C(N[*:1])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1
Cc1nc2ccc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc4ccccc4c3)cc2o1 c1ccc2cc(ccc2c1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)[*:1]
Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1nnc(-c3cccs3)o1)CC2 c1csc(c1)[*:1] Cc1nc2CC[C@H](Cn2n1)[NH2+][C@H](C)c1nnc(o1)[*:1]
C[NH+]1CCC(NC(=O)Nc2nnc(SCc3ccccc3)s2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1nnc(SC[*:1])s1
C[NH+]1CCC(NC(=O)Nc2nnc(SCc3ccccc3)s2)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1nnc(S[*:1])s1
C[NH+]1CCC(NC(=O)Nc2nnc(SCc3ccccc3)s2)CC1 c1ccc(cc1)CS[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1nnc(s1)[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3C[C@@H]3C)c2)c1 Cc1ccc(C)c(c1)[*:1] C[C@H]1C[C@H]1NC(=O)c1cccc(c1)NS(=O)(=O)[*:1]
Cc1nc2ccc(N(C)C(=O)c3cscc3C)cc2s1 Cc1cscc1[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)[*:1]
CN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1cc(Br)ccc1F)C(=O)C[*:1]
CCSc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)ccn1 CS(=O)(=O)[*:1] CCSc1cc(ccn1)C(=O)Nc1cc(ccc1Cl)[*:1]
CCSc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)ccn1 CCS[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)NC(=O)c1ccnc(c1)[*:1]
CCCn1cc(-c2ccc(C[NH3+])cc2C)c(C)n1 CCC[*:1] Cc1cc(ccc1-c1cn(nc1C)[*:1])C[NH3+]
Cc1ccc(C)c2c1N(CCOc1ccc(Cl)cc1)C(=O)C21OCCO1 Clc1ccc(cc1)O[*:1] Cc1ccc(C)c2c1N(CC[*:1])C(=O)C21OCCO1
Cc1ccc(C)c2c1N(CCOc1ccc(Cl)cc1)C(=O)C21OCCO1 Clc1ccc(cc1)[*:1] Cc1ccc(C)c2c1N(CCO[*:1])C(=O)C21OCCO1
C[C@H](CCO)SCCC(=O)NC1CC1 OCC[*:1] C[C@H](SCCC(=O)NC1CC1)[*:1]
C[C@H](CCO)SCCC(=O)NC1CC1 C1CC1[*:1] C[C@H](CCO)SCCC(=O)N[*:1]
CC1=C[C@H](C(=O)N/N=C(\C)c2ccc(Br)s2)N=N1 Brc1ccc(s1)[*:1] CC1=C[C@@H](N=N1)C(=O)NN=C(C)[*:1]
C[C@@H]1C(C(=O)[O-])=NC2=C1C(=O)C[C@H](c1ccccc1)C2 c1ccc(cc1)[*:1] C[C@@H]1C(=NC2C[C@@H](CC(=O)C=21)[*:1])C(=O)[O-]
COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2ccccc2F)cc1 COc1ccc(cc1)[*:1] C[C@]1(Cn2nc(cc2C(=O)N1c1ccccc1F)-c1cccs1)C(=O)NC[*:1]
COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2ccccc2F)cc1 COc1ccc(cc1)C[*:1] C[C@]1(Cn2nc(cc2C(=O)N1c1ccccc1F)-c1cccs1)C(=O)N[*:1]
COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)CNC(=O)[C@]1(C)Cn2nc(cc2C(=O)N1[*:1])-c1cccs1
COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4cccs4)cc3C(=O)N2c2ccccc2F)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CNC(=O)[C@]1(C)Cn2nc(cc2C(=O)N1c1ccccc1F)[*:1]
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccco1 C1CN(CCO1)[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccc(F)cc1)c1ccco1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccco1 Fc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1[*:1])c1ccco1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccco1 c1coc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccco1 C1CN(CCO1)CC[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc(F)cc1)[*:1])c1ccco1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccco1 O=C(c1ccco1)[*:1] O=C1C([O-])=C([C@@H](c2ccc(F)cc2)N1CCN1CCOCC1)[*:1]
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccco1 C1CN(CCO1)C[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(F)cc1)c1ccco1
CC[C@H]1CC[C@](C[NH3+])([C@H](O)C(C)C)C1 CC(C)[*:1] CC[C@H]1CC[C@@](C[NH3+])(C1)[C@H](O)[*:1]
O=C(NC[C@@H]1CCCO1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 Clc1ccc(c(Cl)c1)[*:1] O=C(NC[C@@H]1CCCO1)c1cc(nc2ccccc12)[*:1]
CN(CCc1cccs1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)[C@@H]1CCCN(C1)C(=O)Cc1ccccc1
CN(CCc1cccs1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)[C@@H]1CCCN(C1)C(=O)Cc1ccccc1
CN(CCc1cccs1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CN(CCc1cccs1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CN(CCc1cccs1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 c1csc(c1)CC[*:1] CN(C(=O)[C@@H]1CCCN(C1)C(=O)Cc1ccccc1)[*:1]
CN(CCc1cccs1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] CN(CCc1cccs1)C(=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccccc1C(F)(F)F)c(=O)n2C CCO[*:1] CCc1cnc2c(c1[*:1])c(=O)n(CC(=O)Nc1ccccc1C(F)(F)F)c(=O)n2C
CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccccc1C(F)(F)F)c(=O)n2C FC(F)(F)c1ccccc1[*:1] CCOc1c(cnc2c1c(=O)n(CC(=O)N[*:1])c(=O)n2C)CC
CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccccc1C(F)(F)F)c(=O)n2C FC(F)(F)[*:1] CCOc1c(cnc2c1c(=O)n(CC(=O)Nc1ccccc1[*:1])c(=O)n2C)CC
Cc1ccccc1[C@@H](NCCc1nnc2n1CCC2)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H](NCCc1nnc2CCCn21)[*:1]
Cc1ccccc1[C@@H](NCCc1nnc2n1CCC2)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NCCc1nnc2CCCn21)[*:1]
Fc1cccc(CNc2ncc(-c3cnccn3)c(-c3cccs3)n2)c1 Fc1cccc(c1)C[*:1] c1csc(c1)-c1nc(ncc1-c1cnccn1)N[*:1]
Fc1cccc(CNc2ncc(-c3cnccn3)c(-c3cccs3)n2)c1 c1csc(c1)[*:1] Fc1cccc(c1)CNc1ncc(-c2cnccn2)c(n1)[*:1]
Fc1cccc(CNc2ncc(-c3cnccn3)c(-c3cccs3)n2)c1 Fc1cccc(c1)[*:1] c1csc(c1)-c1nc(ncc1-c1cnccn1)NC[*:1]
Fc1cccc(CNc2ncc(-c3cnccn3)c(-c3cccs3)n2)c1 c1cnc(cn1)[*:1] Fc1cccc(c1)CNc1ncc(c(n1)-c1cccs1)[*:1]
Cc1ccc([C@H](C)NCC(=O)N[C@H](C)C(C)C)cc1F CC(C)[C@@H](C)[*:1] Cc1ccc(cc1F)[C@H](C)NCC(=O)N[*:1]
Cc1ccc([C@H](C)NCC(=O)N[C@H](C)C(C)C)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@H](C)NCC(=O)N[C@H](C)[*:1]
COc1ccc(C(=O)c2sc3nc4c(c(-c5ccncc5)c3c2N)CCCC4)cc1OC COc1ccc(cc1OC)[*:1] Nc1c(sc2nc3CCCCc3c(-c3ccncc3)c12)C(=O)[*:1]
COc1ccc(C(=O)c2sc3nc4c(c(-c5ccncc5)c3c2N)CCCC4)cc1OC c1cc(ccn1)[*:1] COc1ccc(cc1OC)C(=O)c1sc2nc3CCCCc3c(c2c1N)[*:1]
CC(C)NC(=O)C[NH+](C)C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 CC(C)[*:1] C[NH+](CC(=O)N[*:1])C1CCN(CC1)C(=O)c1ccc(cc1)N1CCCS1(=O)=O
CC(C)NC(=O)C[NH+](C)C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 CC(C)NC(=O)[*:1] C[NH+](C[*:1])C1CCN(CC1)C(=O)c1ccc(cc1)N1CCCS1(=O)=O
CC(C)NC(=O)C[NH+](C)C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 CC(C)NC(=O)C[*:1] C[NH+](C1CCN(CC1)C(=O)c1ccc(cc1)N1CCCS1(=O)=O)[*:1]
CC(C)NC(=O)C[NH+](C)C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 O=S1(=O)CCCN1[*:1] CC(C)NC(=O)C[NH+](C)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 C[C@@H](CCc1ccccc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)c1ccccc1
C[C@@H](CCc1ccccc1)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)c1ccccc1
C[C@@H](CCc1ccccc1)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)c1ccccc1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)c1ccccc1
C[C@@H](CCc1ccccc1)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CCCCCC[NH2+][C@H]1CC(C)(C)OC1(C)C CCCC[*:1] CC1(C)C[C@H]([NH2+]CC[*:1])C(C)(C)O1
CCCCCC[NH2+][C@H]1CC(C)(C)OC1(C)C CCC[*:1] CC1(C)C[C@H]([NH2+]CCC[*:1])C(C)(C)O1
CCCCCC[NH2+][C@H]1CC(C)(C)OC1(C)C CCCCC[*:1] CC1(C)C[C@H]([NH2+]C[*:1])C(C)(C)O1
Cc1c(Cl)cccc1S(=O)(=O)N(CC(F)(F)F)C1CCOCC1 FC(F)(F)C[*:1] Cc1c(Cl)cccc1S(=O)(=O)N(C1CCOCC1)[*:1]
Cc1c(Cl)cccc1S(=O)(=O)N(CC(F)(F)F)C1CCOCC1 FC(F)(F)[*:1] Cc1c(Cl)cccc1S(=O)(=O)N(C[*:1])C1CCOCC1
Cc1c(Cl)cccc1S(=O)(=O)N(CC(F)(F)F)C1CCOCC1 C1CC(CCO1)[*:1] Cc1c(Cl)cccc1S(=O)(=O)N(CC(F)(F)F)[*:1]
Cc1ccc([C@H]2CN(CN3CCCCC3=O)CCO2)c(C)c1 O=C1CCCCN1[*:1] Cc1ccc(c(C)c1)[C@H]1CN(CCO1)C[*:1]
CC(C)c1ccc(C(=O)/N=C2/N=N[C@@H](c3ccco3)S2)cc1 c1coc(c1)[*:1] CC(C)c1ccc(cc1)C(=O)/N=C1/N=N[C@@H](S1)[*:1]
CC(C)c1ccc(C(=O)/N=C2/N=N[C@@H](c3ccco3)S2)cc1 CC(C)[*:1] O=C(/N=C1/N=N[C@H](S1)c1ccco1)c1ccc(cc1)[*:1]
CC(C)(C)C(=O)NCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)C(=O)NCC(=O)N1C[C@H](O)C[C@H]1[*:1]
CC(C)(C)C(=O)NCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)CNC(=O)[*:1]
CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O CC(C)(C)[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CC(=O)c1ccc(NC(=O)c2cn(C)nc2C(C)(C)C)cc1 CC(C)(C)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1cn(C)nc1[*:1]
CC(=O)c1ccc(NC(=O)c2cn(C)nc2C(C)(C)C)cc1 CC(=O)[*:1] Cn1cc(C(=O)Nc2ccc(cc2)[*:1])c(n1)C(C)(C)C
CCCC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccoc2)c1 O=C(N[*:1])c1ccoc1 CCCC(=O)Nc1cccc(c1)NC(=O)C[*:1]
CCCC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccoc2)c1 CCCC(=O)N[*:1] O=C(CNC(=O)c1ccoc1)Nc1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccoc2)c1 c1cc(co1)[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)CNC(=O)[*:1]
CCCC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccoc2)c1 CCC[*:1] O=C(CNC(=O)c1ccoc1)Nc1cccc(c1)NC(=O)[*:1]
C[C@H](C(=O)N(C)[C@H](C)c1ccccc1Cl)c1cccs1 c1csc(c1)[*:1] C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H](C)[*:1]
Cc1ccnc(N2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)n1 O=C(N[*:1])c1ccco1 Cc1ccnc(n1)N1CCC2(CC[C@H](C[*:1])O2)CC1
Cc1ccnc(N2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)n1 c1coc(c1)[*:1] Cc1ccnc(n1)N1CCC2(CC[C@H](CNC(=O)[*:1])O2)CC1
Cc1ccnc(N2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)n1 Cc1ccnc(n1)[*:1] O=C(NC[C@H]1CCC2(CCN(CC2)[*:1])O1)c1ccco1
C[NH+]1CCN(Cc2ccc(-c3ncnn3CC3CCCCC3)cc2)CC1 C1CCC(CC1)C[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)-c1ncnn1[*:1]
C[NH+]1CCN(Cc2ccc(-c3ncnn3CC3CCCCC3)cc2)CC1 C1CCC(CC1)[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)-c1ncnn1C[*:1]
Cc1cc(C)cc(NC(=O)NC2CCN(c3nc(C)cc(C)n3)CC2)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc(C)nc(n1)N1CCC(CC1)NC(=O)N[*:1]
Cc1cc(C)cc(NC(=O)NC2CCN(c3nc(C)cc(C)n3)CC2)c1 Cc1cc(C)nc(n1)[*:1] Cc1cc(C)cc(c1)NC(=O)NC1CCN(CC1)[*:1]
Cc1cccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)n1 Cc1cccc(n1)[*:1] O=C(C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)N[*:1]
Cc1cccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)n1 Fc1ccc(cc1)[*:1] Cc1cccc(n1)NC(=O)C[C@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
Cc1cccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)n1 Cc1cccc(n1)NC(=O)[*:1] O=c1c2cnn(-c3ccc(F)cc3)c2nc2SC[C@H](C[*:1])n21
C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 O=c1ccn(c(=O)[nH]1)[*:1] C[NH+](Cc1cccc(c1)C(F)(F)F)C1CCN(CC1)C(=O)C[*:1]
C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 O=c1ccn(C[*:1])c(=O)[nH]1 C[NH+](Cc1cccc(c1)C(F)(F)F)C1CCN(CC1)C(=O)[*:1]
C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 FC(F)(F)c1cccc(c1)[*:1] C[NH+](C[*:1])C1CCN(CC1)C(=O)Cn1ccc(=O)[nH]c1=O
C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 FC(F)(F)[*:1] C[NH+](Cc1cccc(c1)[*:1])C1CCN(CC1)C(=O)Cn1ccc(=O)[nH]c1=O
Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)[C@H](C)Oc1ccccc1 c1ccc(cc1)O[*:1] Cc1cc(ccc1NC(=O)[C@H](C)[*:1])-n1c(C)nc2ccccc2c1=O
Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)[C@H](C)Oc1ccccc1 C[C@H](Oc1ccccc1)[*:1] Cc1cc(ccc1NC(=O)[*:1])-n1c(C)nc2ccccc2c1=O
Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)[C@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)[C@H](C)O[*:1])-n1c(C)nc2ccccc2c1=O
Cn1cccc1C(=O)NN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 Cn1cccc1[*:1] O=C(Nc1ccccc1)[C@H](NNC(=O)[*:1])c1ccccc1
Cn1cccc1C(=O)NN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cn1cccc1C(=O)NN[C@@H](C(=O)N[*:1])c1ccccc1
Cn1cccc1C(=O)NN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cn1cccc1C(=O)NN[C@@H](C(=O)Nc1ccccc1)[*:1]
CN(C)c1nc(N)nc(/C(C#N)=C/c2ccccc2Cl)n1 Clc1ccccc1[*:1] CN(C)c1nc(N)nc(n1)C(C#N)=C[*:1]
CN(C)c1nc(N)nc(/C(C#N)=C/c2ccccc2Cl)n1 CN(C)[*:1] N#C/C(=C\c1ccccc1Cl)c1nc(N)nc(n1)[*:1]
Cc1ccncc1NC(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ccncc1NC(=O)N[C@H]1CCC[C@H]1CNC(=O)O[*:1]
Cc1ccncc1NC(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] Cc1ccncc1NC(=O)N[C@H]1CCC[C@H]1C[*:1]
Cc1ccncc1NC(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C Cc1ccncc1[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N[*:1]
COc1cccc(CC(=O)Nc2nc3cc(OC)c(OC)cc3s2)c1 COc1cccc(c1)[*:1] COc1cc2nc(NC(=O)C[*:1])sc2cc1OC
O=C([C@@H]1CCCO1)N1CC[NH+](C2CCCCCC2)CC1 C1CO[C@@H](C1)[*:1] O=C(N1CC[NH+](CC1)C1CCCCCC1)[*:1]
C[C@]([NH2+]CCCS(C)(=O)=O)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@]([NH2+]CCCS(C)(=O)=O)(C(=O)[O-])[*:1]
C[C@]([NH2+]CCCS(C)(=O)=O)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@]([NH2+]CCCS(C)(=O)=O)(C(F)(F)F)[*:1]
C[C@]([NH2+]CCCS(C)(=O)=O)(C(=O)[O-])C(F)(F)F CS(=O)(=O)[*:1] C[C@]([NH2+]CCC[*:1])(C(=O)[O-])C(F)(F)F
C[C@]([NH2+]CCCS(C)(=O)=O)(C(=O)[O-])C(F)(F)F CS(=O)(=O)C[*:1] C[C@]([NH2+]CC[*:1])(C(=O)[O-])C(F)(F)F
COc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] COc1ccccc1[*:1] O=C(Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])NC[*:1]
COc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1CNC(=O)Cc1ccc(cc1[*:1])[N+](=O)[O-]
COc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1CNC(=O)Cc1ccc(cc1[N+](=O)[O-])[*:1]
CCOc1ccccc1/C=N/NC(=O)COc1ccc(Br)cc1C Cc1cc(Br)ccc1[*:1] CCOc1ccccc1/C=N/NC(=O)CO[*:1]
CCOc1ccccc1/C=N/NC(=O)COc1ccc(Br)cc1C CCO[*:1] Cc1cc(Br)ccc1OCC(=O)N/N=C/c1ccccc1[*:1]
Cc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1C C1CCC(CC1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)N[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(OC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(cc1)O[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(OC(C)(C)C)cc1 CC(C)(C)O[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(cc1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(OC(C)(C)C)cc1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)c1ccc(cc1)OC(C)(C)C)[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1ccc(OCc2nc(C3CC3)cs2)cc1 c1sc(nc1C1CC1)[*:1] O=C(Nc1ccc2OCOc2c1)c1ccc(cc1)OC[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1ccc(OCc2nc(C3CC3)cs2)cc1 c1sc(C[*:1])nc1C1CC1 O=C(Nc1ccc2OCOc2c1)c1ccc(cc1)O[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1ccc(OCc2nc(C3CC3)cs2)cc1 C1CC1[*:1] O=C(Nc1ccc2OCOc2c1)c1ccc(cc1)OCc1nc(cs1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1ccc(OCc2nc(C3CC3)cs2)cc1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])c1ccc(cc1)OCc1nc(cs1)C1CC1
COc1ccc(F)c(NC(=O)c2cc(C)n(Cc3ccccc3)c2C)c1 c1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)c1cc(C)n(C[*:1])c1C
COc1ccc(F)c(NC(=O)c2cc(C)n(Cc3ccccc3)c2C)c1 c1ccc(cc1)C[*:1] COc1ccc(F)c(c1)NC(=O)c1cc(C)n(c1C)[*:1]
NC(=O)NC(=O)CCn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O NC(=O)NC(=O)[*:1] O=c1c2sc(cc2ncn1CC[*:1])-c1ccc(Cl)cc1
NC(=O)NC(=O)CCn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O NC(=O)NC(=O)C[*:1] O=c1c2sc(cc2ncn1C[*:1])-c1ccc(Cl)cc1
NC(=O)NC(=O)CCn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O Clc1ccc(cc1)[*:1] NC(=O)NC(=O)CCn1cnc2cc(sc2c1=O)[*:1]
NC(=O)NC(=O)CCn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O NC(=O)NC(=O)CC[*:1] O=c1c2sc(cc2ncn1[*:1])-c1ccc(Cl)cc1
COC(=O)c1cc(C(=O)Nc2cc(C)ccc2F)n(-c2ccccc2)n1 Cc1ccc(F)c(c1)[*:1] COC(=O)c1cc(C(=O)N[*:1])n(n1)-c1ccccc1
COC(=O)c1cc(C(=O)Nc2cc(C)ccc2F)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] COC(=O)c1cc(C(=O)Nc2cc(C)ccc2F)n(n1)[*:1]
COC(=O)c1cc(C(=O)Nc2cc(C)ccc2F)n(-c2ccccc2)n1 COC(=O)[*:1] Cc1ccc(F)c(c1)NC(=O)c1cc(nn1-c1ccccc1)[*:1]
C[C@H](CC#N)Sc1ccccc1NCC(=O)N1CCCC[C@H]1C N#CC[*:1] C[C@@H]1CCCCN1C(=O)CNc1ccccc1S[C@@H](C)[*:1]
O=C(OCc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 Fc1ccc(cc1)[*:1] O=C(OCc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1CS[C@]2(CCC(=O)N12)[*:1]
CC(C)C[NH+](C)/C=C\C(=O)[O-] CC(C)[*:1] C[NH+](/C=C\C(=O)[O-])C[*:1]
CC(C)C[NH+](C)/C=C\C(=O)[O-] O=C([O-])[*:1] CC(C)C[NH+](C)C=C[*:1]
Cc1noc(C)c1CCCNC(=O)N(C)Cc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] Cc1noc(C)c1CCCNC(=O)N(C)C[*:1]
Cc1noc(C)c1CCCNC(=O)N(C)Cc1c(F)cccc1Cl Cc1noc(C)c1[*:1] CN(Cc1c(F)cccc1Cl)C(=O)NCCC[*:1]
Cc1noc(C)c1CCCNC(=O)N(C)Cc1c(F)cccc1Cl Cc1noc(C)c1C[*:1] CN(Cc1c(F)cccc1Cl)C(=O)NCC[*:1]
O=[N+]([O-])c1cccc(C=C(Cl)Cl)c1 ClC(Cl)=C[*:1] O=[N+]([O-])c1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(C=C(Cl)Cl)c1 O=[N+]([O-])[*:1] ClC(Cl)=Cc1cccc(c1)[*:1]
CCC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1 CCC(=O)N[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)N(C)[C@H](C)[*:1]
CCNC(=O)c1ccc(CNC(=O)Nc2nnc(C(C)(C)C)s2)cc1 CCNC(=O)[*:1] CC(C)(C)c1nnc(NC(=O)NCc2ccc(cc2)[*:1])s1
CCNC(=O)c1ccc(CNC(=O)Nc2nnc(C(C)(C)C)s2)cc1 CC(C)(C)[*:1] CCNC(=O)c1ccc(cc1)CNC(=O)Nc1nnc(s1)[*:1]
Cc1cc2n(n1)[C@@H](c1cccc(O)c1)Nc1ccccc1-2 Oc1cccc(c1)[*:1] Cc1cc2-c3ccccc3N[C@H](n2n1)[*:1]
CC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2C)c1 Cc1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=S)NC(=O)[*:1]
CC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2C)c1 CC(=O)[*:1] Cc1ccccc1C(=O)NC(=S)Nc1cccc(c1)[*:1]
S=c1[nH]c2ccccc2n1CCc1ccccc1 c1ccc(cc1)[*:1] S=c1[nH]c2ccccc2n1CC[*:1]
COC[C@@H]1CN(C(=O)NC[C@@H](C)c2cccc(C)c2)CCO1 COC[*:1] Cc1cccc(c1)[C@H](C)CNC(=O)N1CCO[C@@H](C1)[*:1]
COC[C@@H]1CN(C(=O)NC[C@@H](C)c2cccc(C)c2)CCO1 Cc1cccc(c1)[*:1] COC[C@@H]1CN(CCO1)C(=O)NC[C@@H](C)[*:1]
O=C(NCCCN1CCOCC1)c1csc(C#CCO)c1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])c1csc(C#CCO)c1
O=C(NCCCN1CCOCC1)c1csc(C#CCO)c1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])c1csc(C#CCO)c1
O=C(NCCCN1CCOCC1)c1csc(C#CCO)c1 OCC#C[*:1] O=C(NCCCN1CCOCC1)c1csc(c1)[*:1]
COc1ccc([C@H](C)NC(=O)[C@@H](C)n2cc(C(=O)[O-])cn2)cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@H](C)NC(=O)[C@@H](C)n1cc(cn1)[*:1]
CCO[C@H]1C[C@@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C12CCCC2 CCO[*:1] C[NH+](C)Cc1c(oc2ccccc12)C(=O)N[C@@H]1C[C@@H](C12CCCC2)[*:1]
O=C1[C@H]([C@@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@H](O)N[C@H](S)N1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C1[C@@H]([C@H](O)N[C@H](S)N1[*:1])[C@@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
O=C1[C@H]([C@@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@H](O)N[C@H](S)N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1[C@@H]([C@H](O)N[C@H](S)N1C[*:1])[C@@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
C[C@](O)(CNC(=O)CNC(=O)c1ccc(F)c(F)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)CNC(=O)c1ccc(F)c(F)c1)[*:1]
C[C@](O)(CNC(=O)CNC(=O)c1ccc(F)c(F)c1)c1ccc(F)cc1 Fc1ccc(cc1F)[*:1] C[C@](O)(CNC(=O)CNC(=O)[*:1])c1ccc(F)cc1
C#CCN/C(NCC(C)(C)[NH+]1CCCCC1)=[NH+]/CC C#CC[*:1] CC/[NH+]=C(\NCC(C)(C)[NH+]1CCCCC1)N[*:1]
CNC(=O)c1cccc(-c2cnc(O)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] CNC(=O)c1cccc(c1)-c1cnc(O)c(c1)[*:1]
CNC(=O)c1cccc(-c2cnc(O)c(C(=O)[O-])c2)c1 CNC(=O)[*:1] O=C([O-])c1cc(cnc1O)-c1cccc(c1)[*:1]
C[C@@H](O)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] C[C@@H](O)CC(C)(C)CNc1ccc(cc1Cl)[*:1]
C[C@@H](O)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1Cl C[C@@H](O)[*:1] CC(C)(CNc1ccc(cc1Cl)[N+](=O)[O-])C[*:1]
Cc1ccc(-c2nc(CNC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)co2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)NCc1coc(n1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)CC2=O)cc1C C[C@H](c1ccccc1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)CC2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1C(=O)N[C@H](C)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1
Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)CC2=O)cc1C C[C@@H](NC(=O)[*:1])c1ccccc1 Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
O=C(N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1[*:1]
O=C(N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1[N+](=O)[O-] O=C([O-])[*:1] O=C(N[C@H](Cc1ccccc1)[*:1])c1ccccc1[N+](=O)[O-]
O=C(N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1[N+](=O)[O-] c1ccc(cc1)C[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1ccccc1[N+](=O)[O-]
O=C(N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C(=O)[O-])c1ccccc1[N+](=O)[O-]
CS[C@H](C)C(=O)NCc1csc(Br)c1 CS[C@H](C)[*:1] O=C(NCc1csc(Br)c1)[*:1]
CC(C)CNC(=O)C(=O)Nc1cccnc1Br CC(C)[*:1] O=C(NC[*:1])C(=O)Nc1cccnc1Br
CC(C)CNC(=O)C(=O)Nc1cccnc1Br CC(C)C[*:1] O=C(Nc1cccnc1Br)C(=O)N[*:1]
COc1ccccc1CCNC(=O)Nc1cncc2ccccc12 COc1ccccc1[*:1] O=C(NCC[*:1])Nc1cncc2ccccc12
O=C1N[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]12 c1ccc(cc1)[*:1] O=C1N[C@@H]2CN(C[C@H]12)C(=O)OC[*:1]
Cc1noc([C@H](C)OC(=O)c2cn(Cc3ccccc3)nn2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@H](C)OC(=O)c1cn(C[*:1])nn1
Cc1noc([C@H](C)OC(=O)c2cn(Cc3ccccc3)nn2)n1 Cc1noc(n1)[*:1] C[C@H](OC(=O)c1cn(Cc2ccccc2)nn1)[*:1]
Cc1noc([C@H](C)OC(=O)c2cn(Cc3ccccc3)nn2)n1 c1ccc(cc1)C[*:1] Cc1noc(n1)[C@H](C)OC(=O)c1cn(nn1)[*:1]
C[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)C[C@@H](C)O1 O=C1CCCN1[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1cccc(c1)[*:1]
CCC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 CCC(=O)N[*:1] C[NH+]1CCN(CC1)c1ccc(Cl)cc1[*:1]
O=C(c1ccncc1)N1CCN(C[C@@H](O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1ccncc1)N1CCN(CC1)C[C@@H](O)[*:1]
O=C(c1ccncc1)N1CCN(C[C@@H](O)c2ccccc2F)CC1 c1cc(ccn1)[*:1] O=C(N1CCN(CC1)C[C@@H](O)c1ccccc1F)[*:1]
C[C@H](NC(=O)COc1ccc(C(=O)[O-])cc1)C1CC1 O=C([O-])[*:1] C[C@H](NC(=O)COc1ccc(cc1)[*:1])C1CC1
C[C@H](NC(=O)COc1ccc(C(=O)[O-])cc1)C1CC1 C1CC1[*:1] C[C@H](NC(=O)COc1ccc(cc1)C(=O)[O-])[*:1]
C[C@H](NC(=O)COc1ccc(C(=O)[O-])cc1)C1CC1 C[C@H](C1CC1)[*:1] O=C(COc1ccc(cc1)C(=O)[O-])N[*:1]
C[C@@H](NC(=O)NC[C@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1Cl c1cnc(nc1)[*:1] C[C@@H](NC(=O)NC[C@H]1CCCN(C1)[*:1])c1c(F)cccc1Cl
C[C@@H](NC(=O)NC[C@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] C[C@@H](NC(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCCC2)cc1 O[C@@H](C1CCCC1)[*:1] C#CCOc1ccc(cc1)[C@@H](C)[NH2+]C[*:1]
C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCCC2)cc1 C#CCO[*:1] C[C@@H]([NH2+]C[C@@H](O)C1CCCC1)c1ccc(cc1)[*:1]
C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCCC2)cc1 C#CC[*:1] C[C@@H]([NH2+]C[C@@H](O)C1CCCC1)c1ccc(cc1)O[*:1]
C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCCC2)cc1 C1CCC(C1)[*:1] C#CCOc1ccc(cc1)[C@@H](C)[NH2+]C[C@@H](O)[*:1]
CCn1nc(-c2cccnc2)c2cc(C(=O)[O-])sc21 O=C([O-])[*:1] CCn1nc(-c2cccnc2)c2cc(sc21)[*:1]
CCn1nc(-c2cccnc2)c2cc(C(=O)[O-])sc21 c1cncc(c1)[*:1] CCn1nc(c2cc(sc21)C(=O)[O-])[*:1]
CCOc1cc(C)ccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CCOc1cc(C)ccc1NC(=O)N1CCN(CC1)[*:1]
CCOc1cc(C)ccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 CCO[*:1] Cc1ccc(NC(=O)N2CCN(CC2)c2cccc(Cl)c2)c(c1)[*:1]
C[NH2+][C@@H](Cc1csc(C)n1)[C@H]1CCCc2cccnc21 Cc1nc(cs1)[*:1] C[NH2+][C@@H](C[*:1])[C@H]1CCCc2cccnc21
O=C1NC(=O)/C(=C/c2ccc(OCCOc3ccccc3)cc2)S1 c1ccc(cc1)OC[*:1] O=C1NC(=O)/C(=C/c2ccc(cc2)OC[*:1])S1
O=C1NC(=O)/C(=C/c2ccc(OCCOc3ccccc3)cc2)S1 c1ccc(cc1)[*:1] O=C1NC(=O)/C(=C/c2ccc(cc2)OCCO[*:1])S1
O=C1NC(=O)/C(=C/c2ccc(OCCOc3ccccc3)cc2)S1 O=C1NC(=O)C(=C[*:1])S1 c1ccc(cc1)OCCOc1ccc(cc1)[*:1]
O=C1NC(=O)/C(=C/c2ccc(OCCOc3ccccc3)cc2)S1 c1ccc(cc1)O[*:1] O=C1NC(=O)/C(=C/c2ccc(cc2)OCC[*:1])S1
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCCc2ncnn2C)C1 Fc1cccc(c1)[*:1] C[C@@H]1C[C@H](N(C1)C(=O)NCCc1ncnn1C)[*:1]
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCCc2ncnn2C)C1 Cn1ncnc1[*:1] C[C@@H]1C[C@H](c2cccc(F)c2)N(C1)C(=O)NCC[*:1]
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCCc2ncnn2C)C1 Cn1ncnc1CC[*:1] C[C@@H]1C[C@H](c2cccc(F)c2)N(C1)C(=O)N[*:1]
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCCc2ncnn2C)C1 Cn1ncnc1C[*:1] C[C@@H]1C[C@H](c2cccc(F)c2)N(C1)C(=O)NC[*:1]
CC(C)(C)Oc1cc(CNc2ccc([N+](=O)[O-])cn2)ccn1 O=[N+]([O-])[*:1] CC(C)(C)Oc1cc(ccn1)CNc1ccc(cn1)[*:1]
CC(C)(C)Oc1cc(CNc2ccc([N+](=O)[O-])cn2)ccn1 CC(C)(C)[*:1] O=[N+]([O-])c1ccc(nc1)NCc1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(CNc2ccc([N+](=O)[O-])cn2)ccn1 CC(C)(C)O[*:1] O=[N+]([O-])c1ccc(nc1)NCc1ccnc(c1)[*:1]
CCOC(=O)c1oc2cc(NC(=O)c3ccccc3F)ccc2c1C Fc1ccccc1[*:1] CCOC(=O)c1oc2cc(ccc2c1C)NC(=O)[*:1]
CCOC(=O)c1oc2cc(NC(=O)c3ccccc3F)ccc2c1C CCOC(=O)[*:1] Cc1c(oc2cc(ccc12)NC(=O)c1ccccc1F)[*:1]
CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc2c(c1)CC(=O)N2C FC(F)(F)[*:1] CC[C@H](N[C@H]1CCN(C[*:1])C1=O)c1ccc2c(c1)CC(=O)N2C
CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc2c(c1)CC(=O)N2C FC(F)(F)C[*:1] CC[C@H](N[C@H]1CCN(C1=O)[*:1])c1ccc2c(c1)CC(=O)N2C
O=[N+]([O-])c1cccc(C2SCCS2)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])C1SCCS1
COc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cn3)n2C)c1 Clc1ccc(nc1)[*:1] COc1cccc(c1)-c1nnc(SCC(=O)N[*:1])n1C
COc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cn3)n2C)c1 COc1cccc(c1)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccc(Cl)cn1
CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)CN(C)c1ncnc2[nH]cnc12 CC(C)[*:1] C[C@H]1CC[C@H]([C@@H](C1)NC(=O)CN(C)c1ncnc2[nH]cnc12)[*:1]
N/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21 c1ccc(cc1)[*:1] N/N=C1\C[C@@H](Oc2ccccc21)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1 Cc1ccccc1[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(c1)C(=O)N(C)C)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CC(C)c1nc(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)N1CCN(CC1)Cc1cccc(F)c1)[*:1]
CC(C)c1nc(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)n(C)n1 Fc1cccc(c1)[*:1] CC(C)c1nc(NC(=O)N2CCN(CC2)C[*:1])n(C)n1
CC(C)c1nc(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)n(C)n1 Fc1cccc(c1)C[*:1] CC(C)c1nc(NC(=O)N2CCN(CC2)[*:1])n(C)n1
CS(=O)(=O)NCCNC(=O)[C@H]1C[C@H]1c1ccccc1Cl CS(=O)(=O)NC[*:1] O=C(NC[*:1])[C@H]1C[C@H]1c1ccccc1Cl
CS(=O)(=O)NCCNC(=O)[C@H]1C[C@H]1c1ccccc1Cl CS(=O)(=O)N[*:1] O=C(NCC[*:1])[C@H]1C[C@H]1c1ccccc1Cl
CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCCN(C1)C(=O)O[*:1]
CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)[*:1] CCN(C(=O)[C@@H]([NH3+])[*:1])[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
CCCn1cc[nH+]c1C[C@H]1CC[C@H](Cl)[C@@H]1C CCC[*:1] C[C@H]1[C@@H](Cl)CC[C@@H]1Cc1[nH+]ccn1[*:1]
CCc1nn(C)cc1C[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CCc1nn(C)cc1C[NH2+][C@H]1CC(=O)N(C1)[*:1]
COc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])NC[C@H](c1cccs1)[NH+]1CCCCCC1
COc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CC(=O)NC[C@H]([NH+]1CCCCCC1)[*:1]
c1ccc(-c2csc3ncnc(N4CCCCCC4)c23)cc1 c1ccc(cc1)[*:1] c1nc(c2c(csc2n1)[*:1])N1CCCCCC1
c1ccc(-c2csc3ncnc(N4CCCCCC4)c23)cc1 C1CCCN(CC1)[*:1] c1ccc(cc1)-c1csc2ncnc(c12)[*:1]
COC(=O)c1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1 COC(=O)[*:1] NC(=O)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1 NC(=O)[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2cccs2)CN1C c1csc(c1)[*:1] C[C@H]1C[C@@H](CN1C)[NH2+]CCCNC(=O)[*:1]
C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H](O)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H](O)[*:1]
Cc1cccc(OCCC(=O)Nc2cc(C#N)ccc2OC(F)F)c1C FC(F)O[*:1] Cc1cccc(OCCC(=O)Nc2cc(C#N)ccc2[*:1])c1C
Cc1cccc(OCCC(=O)Nc2cc(C#N)ccc2OC(F)F)c1C Cc1cccc(c1C)[*:1] N#Cc1ccc(OC(F)F)c(c1)NC(=O)CCO[*:1]
Cc1cccc(OCCC(=O)Nc2cc(C#N)ccc2OC(F)F)c1C FC(F)[*:1] Cc1cccc(OCCC(=O)Nc2cc(C#N)ccc2O[*:1])c1C
CCc1nn(C)cc1CNC(=O)NCC1(C)CCC1 CC1(CCC1)[*:1] CCc1nn(C)cc1CNC(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)NCC1(C)CCC1 CC1(CCC1)C[*:1] CCc1nn(C)cc1CNC(=O)N[*:1]
O=C(NC[C@@]1(O)CCSC1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(cc1)[*:1]
CC(C)(C)c1nnc(NC(=O)Cc2cc(F)ccc2F)s1 CC(C)(C)[*:1] O=C(Cc1cc(F)ccc1F)Nc1nnc(s1)[*:1]
Cc1cc(NC(=O)CSCC(=O)N2CCC[C@@H]2c2ccccc2C)no1 Cc1ccccc1[*:1] Cc1cc(no1)NC(=O)CSCC(=O)N1CCC[C@H]1[*:1]
Cc1cc(NC(=O)CSCC(=O)N2CCC[C@@H]2c2ccccc2C)no1 Cc1cc(no1)[*:1] Cc1ccccc1[C@H]1CCCN1C(=O)CSCC(=O)N[*:1]
Cc1ccc(-n2ncc(C(=O)NCc3ccccc3CO)c2C2CC2)cc1Cl OCc1ccccc1[*:1] Cc1ccc(cc1Cl)-n1ncc(C(=O)NC[*:1])c1C1CC1
Cc1ccc(-n2ncc(C(=O)NCc3ccccc3CO)c2C2CC2)cc1Cl C1CC1[*:1] Cc1ccc(cc1Cl)-n1ncc(C(=O)NCc2ccccc2CO)c1[*:1]
Cc1ccc(-n2ncc(C(=O)NCc3ccccc3CO)c2C2CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(NCc1ccccc1CO)c1cnn(c1C1CC1)[*:1]
Cc1ccc(-n2ncc(C(=O)NCc3ccccc3CO)c2C2CC2)cc1Cl OCc1ccccc1C[*:1] Cc1ccc(cc1Cl)-n1ncc(C(=O)N[*:1])c1C1CC1
COCc1ccc(C(=O)N[C@@](C)(COC)c2ccccc2)o1 COC[*:1] COC[C@](C)(NC(=O)c1ccc(o1)[*:1])c1ccccc1
COCc1ccc(C(=O)N[C@@](C)(COC)c2ccccc2)o1 c1ccc(cc1)[*:1] COCc1ccc(o1)C(=O)N[C@@](C)(COC)[*:1]
COCc1ccc(C(=O)N[C@@](C)(COC)c2ccccc2)o1 COC[*:1] COCc1ccc(o1)C(=O)N[C@@](C)(c1ccccc1)[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1=O C1CC1[*:1] COc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)Nc1cccc(c1)C(=O)N[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1=O O=C(NC1CC1)[*:1] COc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1=O COc1ccc(Cl)cc1[*:1] O=C(NC1CC1)c1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)N1CCO[C@@H](C(=O)Cc2ccccc2Br)C1 CC(C)[*:1] O=C(Cc1ccccc1Br)[C@H]1CN(CCO1)[*:1]
CC[C@@H](C)n1ncc(C(=O)NC[C@@H]2CC=CCC2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NC[C@@H]2CC=CCC2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)NC[C@@H]2CC=CCC2)c1C1CC1 CC[C@@H](C)[*:1] O=C(NC[C@@H]1CC=CCC1)c1cnn(c1C1CC1)[*:1]
Cc1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)cn1 O=C(N1CCCC1)[*:1] Cc1ccc(cn1)C(=O)N1CCC(CC1)C[*:1]
Cc1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)cn1 Cc1ccc(cn1)[*:1] O=C(CC1CCN(CC1)C(=O)[*:1])N1CCCC1
COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c(OC)c1 Fc1ccc(cc1)[*:1] COc1ccc(C(=O)N2CCC[C@@H](C2)N2CCN(CC2)[*:1])c(c1)OC
COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(N1CCC[C@@H](C1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1cc(Cl)c[nH]c1=O CC(C)[*:1] O=C1CC[C@@H](CN(C(=O)c2cc(Cl)c[nH]c2=O)[*:1])N1
CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1cc(Cl)c[nH]c1=O O=C1CC[C@H](N1)[*:1] CC(C)N(C[*:1])C(=O)c1cc(Cl)c[nH]c1=O
CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1cc(Cl)c[nH]c1=O O=C1CC[C@@H](C[*:1])N1 CC(C)N(C(=O)c1cc(Cl)c[nH]c1=O)[*:1]
O=C(CSc1cccc(Cl)c1)[C@H]1CCO[C@]2(CCSC2)C1 Clc1cccc(c1)[*:1] O=C(CS[*:1])[C@H]1CCO[C@]2(CCSC2)C1
O=C([O-])CC[NH+]1CCN([C@@H]2CCO[C@@]3(CCOC3)C2)CC1 O=C([O-])[*:1] C1C[C@@]2(CO1)C[C@@H](CCO2)N1CC[NH+](CC1)CC[*:1]
O=C([O-])CC[NH+]1CCN([C@@H]2CCO[C@@]3(CCOC3)C2)CC1 O=C([O-])C[*:1] C1C[C@@]2(CO1)C[C@@H](CCO2)N1CC[NH+](CC1)C[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N(C)C[C@H](C)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N(C)C[C@H](C)[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N(C)C[C@H](C)c2ccccc2)n1 C[C@H](c1ccccc1)[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N(C)C[*:1]
Cc1nc(C)n(-c2ccccc2NC(=O)N(C)C[C@H](C)c2ccccc2)n1 Cc1nc(C)n(n1)[*:1] C[C@@H](CN(C)C(=O)Nc1ccccc1[*:1])c1ccccc1
Cc1nc(C)n(-c2ccccc2NC(=O)N(C)C[C@H](C)c2ccccc2)n1 C[C@@H](C[*:1])c1ccccc1 Cc1nc(C)n(n1)-c1ccccc1NC(=O)N(C)[*:1]
CCN(CC(C)(C)O)C(=O)[C@H]1C[NH2+]C[C@H](C)C1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)[C@H]1C[NH2+]C[C@H](C)C1
CCN(CC(C)(C)O)C(=O)[C@H]1C[NH2+]C[C@H](C)C1 CC(C)(O)C[*:1] CCN(C(=O)[C@H]1C[NH2+]C[C@H](C)C1)[*:1]
CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C)C1 CNC(=O)[*:1] C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C1)[*:1]
CNC(=O)CN(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 CNC(=O)C[*:1] CN(C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[*:1]
CNC(=O)CN(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 CNC(=O)[*:1] CN(C[*:1])C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1
CNC(=O)CN(C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 N#Cc1ccccc1[*:1] CNC(=O)CN(C)C(=O)c1ccc(O[*:1])c(Cl)c1
COC(=O)[C@]1(F)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccco2)C1 COC(=O)[*:1] O=C([C@H]1CCCN1C(=O)c1ccco1)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccco2)C1 c1coc(c1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)[C@H]1CCCN1C(=O)[*:1]
O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(CC1)C[*:1]
O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(CC1)[*:1]
O=C(N/N=C/[C@@H]1C=NN=C1c1ccc(F)cc1)[C@@H]1Sc2cccc(Br)c2[C@H]1Cl Fc1ccc(cc1)[*:1] O=C(N/N=C/[C@@H]1C=NN=C1[*:1])[C@@H]1Sc2cccc(Br)c2[C@H]1Cl
CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](Sc1nc(C)cc(C)c1C#N)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)c1 CC(=O)[*:1] Cc1cc(C)c(C#N)c(n1)S[C@H](C(=O)Nc1cccc(c1)[*:1])c1ccccc1
CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)c1 CC(=O)c1cccc(c1)[*:1] Cc1cc(C)c(C#N)c(n1)S[C@H](C(=O)N[*:1])c1ccccc1
CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(C)cc(C)c2C#N)c2ccccc2)c1 Cc1cc(C)c(C#N)c(n1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](S[*:1])c1ccccc1
CC[NH+](CC)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CC[NH+](CC)C[C@H](C)Nc1cc(C)c(cn1)[*:1]
C[C@@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] C[C@@H](N[C@H](C[C@@H]1CCOC1)[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(cc1)[*:1]
C[C@@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 C1C[C@H](CO1)C[*:1] C[C@@H](N[C@H](c1ccccc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(CCCC1CCCCC1)N1CCN(CCO)CC1 OCC[*:1] O=C(CCCC1CCCCC1)N1CCN(CC1)[*:1]
O=C(CCCC1CCCCC1)N1CCN(CCO)CC1 C1CCC(CC1)[*:1] O=C(CCC[*:1])N1CCN(CCO)CC1
O=C(CCC1CCCC1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 C1CCC(C1)[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1nc(cs1)-c1cccs1
O=C(CCC1CCCC1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 C1CCC(C1)C[*:1] O=C(C[*:1])N1CCN(CC1)Cc1nc(cs1)-c1cccs1
O=C(CCC1CCCC1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 C1CCC(C1)CC[*:1] O=C(N1CCN(CC1)Cc1nc(cs1)-c1cccs1)[*:1]
O=C(CCC1CCCC1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 c1csc(c1)[*:1] O=C(CCC1CCCC1)N1CCN(CC1)Cc1nc(cs1)[*:1]
CC(C)(C)[NH2+]CC(=O)NC[C@H]1CCC[C@H]1O CC(C)(C)[*:1] O=C(C[NH2+][*:1])NC[C@H]1CCC[C@H]1O
C=C(C)C(=O)N(C)c1ccccc1C C=C(C)[*:1] Cc1ccccc1N(C)C(=O)[*:1]
CC(C)n1c([C@@H]2CCCCC[C@H]2[NH3+])nc2cccc(Cl)c21 CC(C)[*:1] [NH3+][C@@H]1CCCCC[C@H]1c1nc2cccc(Cl)c2n1[*:1]
Cc1cc(N)c(C)c(S(=O)(=O)N(C)CC2CCOCC2)c1 C1CC(CCO1)[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)N(C)C[*:1]
Cc1cc(N)c(C)c(S(=O)(=O)N(C)CC2CCOCC2)c1 C1CC(CCO1)C[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)N(C)[*:1]
NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O NC(=O)C[*:1] O=C(O[*:1])c1ccc2C(=O)N(C(=O)c2c1)C1CCCCC1
NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O C1CCC(CC1)[*:1] NC(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O NC(=O)[*:1] O=C(OC[*:1])c1ccc2C(=O)N(C(=O)c2c1)C1CCCCC1
NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O NC(=O)COC(=O)[*:1] O=C1c2ccc(cc2C(=O)N1C1CCCCC1)[*:1]
COCCn1/c(=N/C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cccc(F)c21 COCC[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)/N=c1\sc2cccc(F)c2n1[*:1]
COCCn1/c(=N/C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cccc(F)c21 COC[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)/N=c1\sc2cccc(F)c2n1C[*:1]
Cc1csc([C@H]2CN(Cc3cccc(Br)c3C)CCO2)n1 Cc1csc(n1)[*:1] Cc1c(Br)cccc1CN1CCO[C@H](C1)[*:1]
CC(C)(C)[NH2+]C[C@H]1CCCO[C@@H]1c1c(F)cccc1Cl CC(C)(C)[*:1] Fc1cccc(Cl)c1[C@H]1OCCC[C@@H]1C[NH2+][*:1]
O=C1C[C@@H](C(=O)N2CC[C@@H](Nc3ccccc3)C2)CN1CC1CC1 C1CC1C[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CC[C@H](C1)Nc1ccccc1
O=C1C[C@@H](C(=O)N2CC[C@@H](Nc3ccccc3)C2)CN1CC1CC1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1CC1CC1)C(=O)N1CC[C@H](C1)N[*:1]
O=C1C[C@@H](C(=O)N2CC[C@@H](Nc3ccccc3)C2)CN1CC1CC1 c1ccc(cc1)N[*:1] O=C1C[C@H](CN1CC1CC1)C(=O)N1CC[C@@H](C1)[*:1]
O=C1C[C@@H](C(=O)N2CC[C@@H](Nc3ccccc3)C2)CN1CC1CC1 C1CC1[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CC[C@H](C1)Nc1ccccc1
CC[C@](C)(NC(=O)CCSc1nc(C)n[nH]1)c1nccs1 Cc1n[nH]c(n1)[*:1] CC[C@](C)(NC(=O)CCS[*:1])c1nccs1
CC[C@](C)(NC(=O)CCSc1nc(C)n[nH]1)c1nccs1 c1csc(n1)[*:1] CC[C@](C)(NC(=O)CCSc1nc(C)n[nH]1)[*:1]
CC[C@](C)(NC(=O)CCSc1nc(C)n[nH]1)c1nccs1 Cc1n[nH]c(n1)S[*:1] CC[C@](C)(NC(=O)CC[*:1])c1nccs1
NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccc(F)c2)s1 NC(=O)C[*:1] O=C(Nc1sc(nc1-c1ccccc1)S[*:1])c1cccc(F)c1
NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccc(F)c2)s1 NC(=O)[*:1] O=C(Nc1sc(nc1-c1ccccc1)SC[*:1])c1cccc(F)c1
NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccc(F)c2)s1 NC(=O)CS[*:1] O=C(Nc1sc(nc1-c1ccccc1)[*:1])c1cccc(F)c1
NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccc(F)c2)s1 Fc1cccc(c1)[*:1] NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)[*:1])s1
NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccc(F)c2)s1 c1ccc(cc1)[*:1] NC(=O)CSc1nc(c(NC(=O)c2cccc(F)c2)s1)[*:1]
CNC(=O)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)C[NH2+]C[C@H]1CN(CCO1)C[*:1]
CNC(=O)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)cc1 CNC(=O)[*:1] c1ccc(cc1)CN1CCO[C@@H](C[NH2+]Cc2ccc(cc2)[*:1])C1
CNC(=O)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)cc1 c1ccc(cc1)C[*:1] CNC(=O)c1ccc(cc1)C[NH2+]C[C@H]1CN(CCO1)[*:1]
CCS(=O)(=O)N1CC(=O)N(c2cccc(F)c2)[C@@](C)(C(=O)NCc2ccccc2)C1 c1ccc(cc1)[*:1] CCS(=O)(=O)N1CC(=O)N(c2cccc(F)c2)[C@](C)(C1)C(=O)NC[*:1]
CCS(=O)(=O)N1CC(=O)N(c2cccc(F)c2)[C@@](C)(C(=O)NCc2ccccc2)C1 c1ccc(cc1)C[*:1] CCS(=O)(=O)N1CC(=O)N(c2cccc(F)c2)[C@](C)(C1)C(=O)N[*:1]
CCS(=O)(=O)N1CC(=O)N(c2cccc(F)c2)[C@@](C)(C(=O)NCc2ccccc2)C1 Fc1cccc(c1)[*:1] CCS(=O)(=O)N1CC(=O)N([C@](C)(C1)C(=O)NCc1ccccc1)[*:1]
CCS(=O)(=O)N1CC(=O)N(c2cccc(F)c2)[C@@](C)(C(=O)NCc2ccccc2)C1 O=C(NCc1ccccc1)[*:1] CCS(=O)(=O)N1CC(=O)N(c2cccc(F)c2)[C@@](C)(C1)[*:1]
Cc1ccc(NC(=O)c2ccn(COc3cccc(Cl)c3)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])c1ccn(COc2cccc(Cl)c2)n1
Cc1ccc(NC(=O)c2ccn(COc3cccc(Cl)c3)n2)c(C)c1 Clc1cccc(c1)[*:1] Cc1ccc(NC(=O)c2ccn(CO[*:1])n2)c(C)c1
Cc1ccc(NC(=O)c2ccn(COc3cccc(Cl)c3)n2)c(C)c1 Clc1cccc(c1)O[*:1] Cc1ccc(NC(=O)c2ccn(C[*:1])n2)c(C)c1
O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=c1n(C[*:1])nc2nc(ccn12)Nc1ccccc1
O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)c1ccc(F)cc1 c1ccc(cc1)N[*:1] O=C(Cn1nc2nc(ccn2c1=O)[*:1])c1ccc(F)cc1
O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(Cn1nc2nc(ccn2c1=O)N[*:1])c1ccc(F)cc1
O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1nc2nc(ccn2c1=O)Nc1ccccc1)[*:1]
O=C(N[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1cc2cccn2cn1 c1cc2cc(ncn2c1)[*:1] O=C(NCc1ccco1)[C@H](NC(=O)[*:1])c1ccccc1
O=C(N[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1cc2cccn2cn1 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)NCc1ccco1)[*:1])c1cc2cccn2cn1
O=C(N[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1cc2cccn2cn1 c1coc(c1)C[*:1] O=C(N[C@@H](C(=O)N[*:1])c1ccccc1)c1cc2cccn2cn1
O=C(N[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1cc2cccn2cn1 c1coc(c1)[*:1] O=C(N[C@@H](C(=O)NC[*:1])c1ccccc1)c1cc2cccn2cn1
O=C(N[C@@H](C(=O)NCc1ccco1)c1ccccc1)c1cc2cccn2cn1 O=C(NCc1ccco1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1cc2cccn2cn1
CN(C(=O)COc1ccccc1Cl)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 Clc1ccccc1O[*:1] CN(C(=O)C[*:1])[C@H]1CS(=O)(=O)c2ccc(Cl)cc21
CN(C(=O)COc1ccccc1Cl)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 Clc1ccccc1[*:1] CN(C(=O)CO[*:1])[C@H]1CS(=O)(=O)c2ccc(Cl)cc21
C[C@H](NCc1nc(C2CC2)cs1)c1ccccc1OC(F)F FC(F)[*:1] C[C@H](NCc1nc(cs1)C1CC1)c1ccccc1O[*:1]
C[C@H](NCc1nc(C2CC2)cs1)c1ccccc1OC(F)F FC(F)O[*:1] C[C@H](NCc1nc(cs1)C1CC1)c1ccccc1[*:1]
C[C@H](NCc1nc(C2CC2)cs1)c1ccccc1OC(F)F C1CC1[*:1] C[C@H](NCc1nc(cs1)[*:1])c1ccccc1OC(F)F
CC(C)CN1/C(=C\C2=CC=C[C@H]3N=CC=C23)C(=O)c2ccccc2S1(=O)=O CC(C)C[*:1] O=C1/C(=C/C2=CC=C[C@H]3N=CC=C23)N(S(=O)(=O)c2ccccc21)[*:1]
CC(C)CN1/C(=C\C2=CC=C[C@H]3N=CC=C23)C(=O)c2ccccc2S1(=O)=O CC(C)[*:1] O=C1/C(=C/C2=CC=C[C@H]3N=CC=C23)N(C[*:1])S(=O)(=O)c2ccccc21
Clc1ccc(OCC2=NN3C(=NN[C@H]3[C@@H]3C=C(c4ccccc4)N=N3)S2)cc1 Clc1ccc(cc1)OC[*:1] C1=C(N=N[C@@H]1[C@@H]1NN=C2SC(=NN21)[*:1])c1ccccc1
Clc1ccc(OCC2=NN3C(=NN[C@H]3[C@@H]3C=C(c4ccccc4)N=N3)S2)cc1 Clc1ccc(cc1)O[*:1] C1=C(N=N[C@@H]1[C@@H]1NN=C2SC(C[*:1])=NN21)c1ccccc1
Clc1ccc(OCC2=NN3C(=NN[C@H]3[C@@H]3C=C(c4ccccc4)N=N3)S2)cc1 c1ccc(cc1)[*:1] Clc1ccc(cc1)OCC1=NN2C(=NN[C@H]2[C@@H]2C=C(N=N2)[*:1])S1
Clc1ccc(OCC2=NN3C(=NN[C@H]3[C@@H]3C=C(c4ccccc4)N=N3)S2)cc1 Clc1ccc(cc1)[*:1] C1=C(N=N[C@@H]1[C@@H]1NN=C2SC(CO[*:1])=NN21)c1ccccc1
CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccccn1 c1ccc(nc1)[*:1] CCOC(=O)c1cn[nH]c1S(=O)(=O)NC[*:1]
CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccccn1 c1ccc(C[*:1])nc1 CCOC(=O)c1cn[nH]c1S(=O)(=O)N[*:1]
CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccccn1 CCOC(=O)[*:1] O=S(=O)(NCc1ccccn1)c1[nH]ncc1[*:1]
Cc1cc(-n2cc(C(=O)NC(C)C)nn2)ccc1F CC(C)[*:1] Cc1cc(ccc1F)-n1cc(nn1)C(=O)N[*:1]
Cc1cc(-n2cc(C(=O)NC(C)C)nn2)ccc1F CC(C)NC(=O)[*:1] Cc1cc(ccc1F)-n1cc(nn1)[*:1]
CC[C@H](NC(=O)C1CCCC1)c1ccc(OC)cc1 C1CCC(C1)[*:1] CC[C@H](NC(=O)[*:1])c1ccc(cc1)OC
C[C@H](O)C(=O)NCc1ccc[nH+]c1N1CCN(c2cccc[nH+]2)CC1 C[C@H](O)[*:1] O=C(NCc1ccc[nH+]c1N1CCN(CC1)c1cccc[nH+]1)[*:1]
C[C@H](O)C(=O)NCc1ccc[nH+]c1N1CCN(c2cccc[nH+]2)CC1 C[C@H](O)C(=O)NC[*:1] c1ccc([nH+]c1)N1CCN(CC1)c1[nH+]cccc1[*:1]
C[C@H](O)C(=O)NCc1ccc[nH+]c1N1CCN(c2cccc[nH+]2)CC1 C[C@H](O)C(=O)N[*:1] c1ccc([nH+]c1)N1CCN(CC1)c1[nH+]cccc1C[*:1]
C[C@H](O)C(=O)NCc1ccc[nH+]c1N1CCN(c2cccc[nH+]2)CC1 c1ccc([nH+]c1)[*:1] C[C@H](O)C(=O)NCc1ccc[nH+]c1N1CCN(CC1)[*:1]
O=S(=O)(CC1CCC1)N[C@H]1CCCC[C@H]1C(F)(F)F FC(F)(F)[*:1] O=S(=O)(CC1CCC1)N[C@H]1CCCC[C@@H]1[*:1]
O=S(=O)(CC1CCC1)N[C@H]1CCCC[C@H]1C(F)(F)F C1CC(C1)[*:1] O=S(=O)(C[*:1])N[C@H]1CCCC[C@H]1C(F)(F)F
O=S(=O)(CC1CCC1)N[C@H]1CCCC[C@H]1C(F)(F)F C1CC(C1)C[*:1] O=S(=O)(N[C@H]1CCCC[C@H]1C(F)(F)F)[*:1]
O=C(C[C@H]1C=CCC1)N[C@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@H]1C=CCC1)N[C@H](c1ccccc1)[*:1]
O=C(C[C@H]1C=CCC1)N[C@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1C=CCC1)N[C@H](Cc1ccccc1)[*:1]
O=C(C[C@H]1C=CCC1)N[C@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1C=CCC1)N[C@H](C[*:1])c1ccccc1
COc1ccc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1ccc(=O)n(C[*:1])n1
COc1ccc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1OC Fc1ccc(cc1)C[*:1] COc1ccc(cc1OC)-c1ccc(=O)n(n1)[*:1]
CCN(CC)C(=O)[C@@H](C)NC(=O)/C=C/c1cc(Br)ccc1OC CCN(CC)C(=O)[*:1] COc1ccc(Br)cc1/C=C/C(=O)N[C@H](C)[*:1]
Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc2cc(C#N)c(nc2c1C)SCC(=O)N[*:1]
Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2Cl)C1 Clc1ncccc1[*:1] Cn1cc[nH+]c1C[C@@H]1CCCN(C1)C(=O)C(=O)N[*:1]
Cc1ccc(Cc2nnc(NC(=O)c3ccc4c(c3)OCO4)o2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1nnc(C[*:1])o1)c1ccc2OCOc2c1
Cc1ccc([C@](C)(O)CNC(=O)CN2CCCOC2=O)o1 Cc1ccc(o1)[*:1] C[C@](O)(CNC(=O)CN1CCCOC1=O)[*:1]
Cc1ccc([C@](C)(O)CNC(=O)CN2CCCOC2=O)o1 O=C1OCCCN1[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)C[*:1]
O=C(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCc1cccc(Cl)c1)NC[C@H](O)[*:1]
O=C(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(F)cc1 Clc1cccc(c1)[*:1] O=C(CC[*:1])NC[C@H](O)c1ccc(F)cc1
CCCOc1ccccc1OCC(=O)N(C)c1ccc2ccccc2c1 CCC[*:1] CN(C(=O)COc1ccccc1O[*:1])c1ccc2ccccc2c1
CCCOc1ccccc1OCC(=O)N(C)c1ccc2ccccc2c1 CCCO[*:1] CN(C(=O)COc1ccccc1[*:1])c1ccc2ccccc2c1
CCCCO[C@H](C)[C@H]([NH3+])c1ccccc1 CCCCO[*:1] C[C@H]([C@H]([NH3+])c1ccccc1)[*:1]
CCCCO[C@H](C)[C@H]([NH3+])c1ccccc1 CCCC[*:1] C[C@@H](O[*:1])[C@H]([NH3+])c1ccccc1
CCCCO[C@H](C)[C@H]([NH3+])c1ccccc1 CCC[*:1] C[C@@H](OC[*:1])[C@H]([NH3+])c1ccccc1
CN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C O=C(N1CCCCC1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cnn([C@@H](C)C(=O)[O-])c1 FC(F)(F)[*:1] Cc1cc2N(CC[C@@H](n2n1)[*:1])C(=O)c1cnn(c1)[C@@H](C)C(=O)[O-]
Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cnn([C@@H](C)C(=O)[O-])c1 O=C([O-])[*:1] Cc1cc2N(CC[C@H](n2n1)C(F)(F)F)C(=O)c1cnn(c1)[C@@H](C)[*:1]
CCC(=O)N1CCC([NH2+][C@H](C)C[C@H](C)CC)CC1 CC[C@@H](C)[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@H](C)C[*:1]
CCC(=O)N1CCC([NH2+][C@H](C)C[C@H](C)CC)CC1 CC[C@@H](C)C[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@H](C)[*:1]
CN(Cc1ccc(Br)o1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(Br)o1)C(=O)N[*:1]
CN(Cc1ccc(Br)o1)C(=O)Nc1ccccc1 Brc1ccc(o1)[*:1] CN(C[*:1])C(=O)Nc1ccccc1
Cc1nc2n(n1)[C@H](c1ccc3c(c1)OCCCO3)C1=C(C[C@@H](c3ccco3)CC1=O)N2 c1coc(c1)[*:1] Cc1nc2NC3C[C@@H](CC(=O)C=3[C@@H](c3ccc4OCCCOc4c3)n2n1)[*:1]
COc1ccccc1NC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O COc1ccccc1[*:1] O=C(N[*:1])c1c([O-])c2sccc2n(Cc2ccccc2)c1=O
COc1ccccc1NC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] COc1ccccc1NC(=O)c1c([O-])c2sccc2n(C[*:1])c1=O
COc1ccccc1NC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] COc1ccccc1NC(=O)c1c([O-])c2sccc2n(c1=O)[*:1]
O=C(c1c(F)cc(F)cc1F)C1CC[NH+](Cc2cc(-c3ccccc3)[nH]n2)CC1 Fc1cc(F)c(c(F)c1)[*:1] O=C(C1CC[NH+](CC1)Cc1cc([nH]n1)-c1ccccc1)[*:1]
O=C(c1c(F)cc(F)cc1F)C1CC[NH+](Cc2cc(-c3ccccc3)[nH]n2)CC1 c1ccc(cc1)[*:1] O=C(c1c(F)cc(F)cc1F)C1CC[NH+](CC1)Cc1cc([nH]n1)[*:1]
Cc1ccc(NC(=O)[C@@H](NC(N)=O)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](NC(N)=O)[*:1]
Cc1ccc(NC(=O)[C@@H](NC(N)=O)C(C)C)cc1 NC(=O)N[*:1] Cc1ccc(cc1)NC(=O)[C@@H](C(C)C)[*:1]
CNC(=O)CN(C)C(=O)c1ccc(N)cc1 CNC(=O)C[*:1] CN(C(=O)c1ccc(N)cc1)[*:1]
CNC(=O)CN(C)C(=O)c1ccc(N)cc1 CNC(=O)[*:1] CN(C[*:1])C(=O)c1ccc(N)cc1
CCOC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)sc2c1CCCCC2 Cc1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)[*:1])sc2CCCCCc21
CCOC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)sc2c1CCCCC2 CCOC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1sc2CCCCCc2c1[*:1]
COC(=O)[C@](C)(c1cccc(Br)c1)N(C)C COC(=O)[*:1] CN(C)[C@](C)(c1cccc(Br)c1)[*:1]
COC(=O)[C@](C)(c1cccc(Br)c1)N(C)C CN(C)[*:1] COC(=O)[C@](C)(c1cccc(Br)c1)[*:1]
Cc1ccc(CCNC(=O)Nc2ccc3c(c2)COC3)cc1 Cc1ccc(cc1)[*:1] O=C(NCC[*:1])Nc1ccc2COCc2c1
COC(=O)C1=C(CN2C[C@@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1 COC(=O)[*:1] COc1cccc(c1)[C@@H]1NC(=O)NC(CN2C[C@@H](C)C[C@@H](C)C2)=C1[*:1]
COC(=O)C1=C(CN2C[C@@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] COC(=O)C1=C(CN2C[C@@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1[*:1]
COc1ccc(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)NC[*:1]
COc1ccc(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 C1CCN(C1)[*:1] COc1ccc(cc1)CNC(=O)NCc1ccc([nH+]c1)[*:1]
O=C([O-])c1cn(-c2cc(F)cc(F)c2F)c(=O)[nH]c1=O O=C([O-])[*:1] O=c1[nH]c(=O)n(cc1[*:1])-c1cc(F)cc(F)c1F
Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1C Cc1ccc(cc1C)[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[*:1]
Cc1ccc([C@H](C)[NH2+]CCn2ccnc2C)cc1F Cc1nccn1[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+]CC[*:1]
Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(Cl)cn3)CC2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)c1ccc(Cl)cn1
Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(Cl)cn3)CC2)n(C)n1 Clc1ccc(nc1)[*:1] Cc1cc(NC(=O)C(=O)N2CCN(CC2)[*:1])n(C)n1
Cc1noc(COc2ccc(CC[NH3+])nc2)n1 [NH3+]CC[*:1] Cc1noc(COc2ccc(nc2)[*:1])n1
Cc1cccc(-c2nc3cnccn3c2NCCC(=O)NCc2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1[*:1] Cc1cccc(c1)-c1nc2cnccn2c1NCCC(=O)NC[*:1]
Cc1cccc(-c2nc3cnccn3c2NCCC(=O)NCc2ccc3c(c2)OCO3)c1 Cc1cccc(c1)[*:1] O=C(CCNc1c(nc2cnccn12)[*:1])NCc1ccc2OCOc2c1
Cc1cccc(-c2nc3cnccn3c2NCCC(=O)NCc2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1C[*:1] Cc1cccc(c1)-c1nc2cnccn2c1NCCC(=O)N[*:1]
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 c1ccc(cc1)O[*:1] CC1NC(=O)C[C@@H](C=1C(=O)OCC[*:1])c1cccc(Cl)c1Cl
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 c1ccc(cc1)OCC[*:1] CC1NC(=O)C[C@@H](C=1C(=O)O[*:1])c1cccc(Cl)c1Cl
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 c1ccc(cc1)[*:1] CC1NC(=O)C[C@@H](C=1C(=O)OCCO[*:1])c1cccc(Cl)c1Cl
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 Clc1cccc(c1Cl)[*:1] CC1NC(=O)C[C@H](C=1C(=O)OCCOc1ccccc1)[*:1]
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 c1ccc(cc1)OC[*:1] CC1NC(=O)C[C@@H](C=1C(=O)OC[*:1])c1cccc(Cl)c1Cl
NC(=O)[C@H]1CCN(C(=O)Cc2ccccc2OC(F)F)c2ccccc21 FC(F)[*:1] NC(=O)[C@H]1CCN(C(=O)Cc2ccccc2O[*:1])c2ccccc21
NC(=O)[C@H]1CCN(C(=O)Cc2ccccc2OC(F)F)c2ccccc21 NC(=O)[*:1] O=C(Cc1ccccc1OC(F)F)N1CC[C@@H](c2ccccc21)[*:1]
NC(=O)[C@H]1CCN(C(=O)Cc2ccccc2OC(F)F)c2ccccc21 FC(F)O[*:1] NC(=O)[C@H]1CCN(C(=O)Cc2ccccc2[*:1])c2ccccc21
C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C=O)[C@H]1CC/C(C)=C/CO C/C(=C\CO)C[*:1] C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C=O)[C@H]1C[*:1]
C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C=O)[C@H]1CC/C(C)=C/CO C/C(=C\CO)CC[*:1] C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C=O)[C@@H]1[*:1]
C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C=O)[C@H]1CC/C(C)=C/CO CC(=CCO)[*:1] C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C=O)[C@H]1CC[*:1]
COC(=O)c1cccc(Nc2nc(N)c(C(=O)c3cccc(OC)c3)s2)c1 COC(=O)[*:1] COc1cccc(c1)C(=O)c1sc(nc1N)Nc1cccc(c1)[*:1]
COC(=O)c1cccc(Nc2nc(N)c(C(=O)c3cccc(OC)c3)s2)c1 COc1cccc(c1)[*:1] COC(=O)c1cccc(c1)Nc1nc(N)c(s1)C(=O)[*:1]
Cc1nn(Cc2cncn2C2CC2)c(N)c1Cl C1CC1[*:1] Cc1nn(Cc2cncn2[*:1])c(N)c1Cl
COc1ccc(CC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)CC(=O)N1C[C@H](C[C@H]1C)[*:1]
CN(C)c1ccccc1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2 CN(C)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1C[C@@H]2C=C[C@H]1C2
COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCO[C@@H](C)C2)cc1 COC(=O)[*:1] C[C@H]1CN(CCO1)[C@@H](C)C(=O)NCc1ccc(cc1)[*:1]
COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCO[C@@H](C)C2)cc1 C[C@H]1CN(CCO1)[*:1] COC(=O)c1ccc(cc1)CNC(=O)[C@H](C)[*:1]
C[NH2+][C@]1(C(=O)[O-])CC[C@H](Sc2nnnn2C2CCCC2)C1 O=C([O-])[*:1] C[NH2+][C@@]1(CC[C@@H](C1)Sc1nnnn1C1CCCC1)[*:1]
C[NH2+][C@]1(C(=O)[O-])CC[C@H](Sc2nnnn2C2CCCC2)C1 C1CCC(C1)[*:1] C[NH2+][C@@]1(CC[C@@H](C1)Sc1nnnn1[*:1])C(=O)[O-]
Cc1ccc(C)c(NC(=O)C(=O)NCCc2ccsc2)c1 c1cc(cs1)CC[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)N[*:1]
Cc1ccc(C)c(NC(=O)C(=O)NCCc2ccsc2)c1 c1cc(cs1)C[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)NC[*:1]
Cc1ccc(C)c(NC(=O)C(=O)NCCc2ccsc2)c1 c1cc(cs1)[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)NCC[*:1]
COCc1cc(NC(=O)N[C@H](C)c2cccc(Cl)c2Cl)ncn1 COC[*:1] C[C@@H](NC(=O)Nc1cc(ncn1)[*:1])c1cccc(Cl)c1Cl
C[C@@H](Cn1cncn1)Nc1ccc(-c2nc(-c3ccccc3F)no2)cn1 c1ncn(C[*:1])n1 C[C@@H](Nc1ccc(cn1)-c1nc(no1)-c1ccccc1F)[*:1]
C[C@@H](Cn1cncn1)Nc1ccc(-c2nc(-c3ccccc3F)no2)cn1 c1ncn(n1)[*:1] C[C@@H](C[*:1])Nc1ccc(cn1)-c1nc(no1)-c1ccccc1F
C[C@@H](Cn1cncn1)Nc1ccc(-c2nc(-c3ccccc3F)no2)cn1 Fc1ccccc1[*:1] C[C@@H](Cn1cncn1)Nc1ccc(cn1)-c1nc(no1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccc(C(F)(F)F)nc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(nc1)C(F)(F)F)[C@H](O)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccc(C(F)(F)F)nc2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)c1ccc(nc1)[*:1]
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCCCc2ccccc2)cc1C c1ccc(cc1)CC[*:1] Cc1ccc(cc1C)S(=O)(=O)N1C(=O)CC[C@@H]1C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCCCc2ccccc2)cc1C c1ccc(cc1)CCC[*:1] Cc1ccc(cc1C)S(=O)(=O)N1C(=O)CC[C@@H]1C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCCCc2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1C(=O)CC[C@@H]1C(=O)NCCC[*:1]
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCCCc2ccccc2)cc1C Cc1ccc(cc1C)[*:1] O=C(NCCCc1ccccc1)[C@H]1CCC(=O)N1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCCCc2ccccc2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)S(=O)(=O)N1C(=O)CC[C@@H]1C(=O)NCC[*:1]
C[C@]1(C(=O)N(CC(N)=O)Cc2ccccc2N)CCCO1 NC(=O)[*:1] C[C@@]1(CCCO1)C(=O)N(Cc1ccccc1N)C[*:1]
C[C@]1(C(=O)N(CC(N)=O)Cc2ccccc2N)CCCO1 Nc1ccccc1[*:1] C[C@@]1(CCCO1)C(=O)N(CC(N)=O)C[*:1]
C[C@]1(C(=O)N(CC(N)=O)Cc2ccccc2N)CCCO1 NC(=O)C[*:1] C[C@@]1(CCCO1)C(=O)N(Cc1ccccc1N)[*:1]
O=C(COC(=O)c1cccc(-c2ccoc2)c1)NC1CCCCC1 c1cc(co1)[*:1] O=C(COC(=O)c1cccc(c1)[*:1])NC1CCCCC1
O=C(COC(=O)c1cccc(-c2ccoc2)c1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COC(=O)c1cccc(c1)-c1ccoc1)N[*:1]
CCCn1c2ccccc2c2cnn(CC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c21 CCC[*:1] C[C@@H]1[C@H](CCC[C@H]1C)NC(=O)Cn1ncc2c3ccccc3n(c2c1=O)[*:1]
O=S(=O)(CCOc1ccc(F)cc1)[N-]c1nc2ccc(Cl)cc2s1 Fc1ccc(cc1)[*:1] O=S(=O)(CCO[*:1])[N-]c1nc2ccc(Cl)cc2s1
O=S(=O)(CCOc1ccc(F)cc1)[N-]c1nc2ccc(Cl)cc2s1 Fc1ccc(cc1)O[*:1] O=S(=O)(CC[*:1])[N-]c1nc2ccc(Cl)cc2s1
COc1ccc2oc(C(=O)NC[C@@H](C)N3CCOCC3)c(C)c2c1 C[C@@H](N1CCOCC1)[*:1] COc1ccc2oc(C(=O)NC[*:1])c(C)c2c1
COc1ccc2oc(C(=O)NC[C@@H](C)N3CCOCC3)c(C)c2c1 C1CN(CCO1)[*:1] COc1ccc2oc(C(=O)NC[C@@H](C)[*:1])c(C)c2c1
Cc1cnc2n(c1=O)C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)CS2 c1ccc(cc1)[*:1] Cc1cnc2SC[C@@H](Cn2c1=O)C(=O)NC(c1ccccc1)[*:1]
CCC[NH2+]C[C@H](CC(C)C)c1cccc(F)c1 CC(C)C[*:1] CCC[NH2+]C[C@H](c1cccc(F)c1)[*:1]
CCC[NH2+]C[C@H](CC(C)C)c1cccc(F)c1 CCC[*:1] CC(C)C[C@@H](C[NH2+][*:1])c1cccc(F)c1
CCC[NH2+]C[C@H](CC(C)C)c1cccc(F)c1 CC(C)[*:1] CCC[NH2+]C[C@H](C[*:1])c1cccc(F)c1
COC(=O)CC(=O)Nc1ccccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] COC(=O)CC(=O)Nc1ccccc1[*:1]
COC(=O)CC(=O)Nc1ccccc1C(=O)N1CCCC1 COC(=O)C[*:1] O=C(c1ccccc1NC(=O)[*:1])N1CCCC1
COC(=O)CC(=O)Nc1ccccc1C(=O)N1CCCC1 COC(=O)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)N1CCCC1
CC1(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CCCC1 c1ccc(cc1)[*:1] CC1(CCCC1)C(=O)N[C@@H](C(=O)[O-])[*:1]
CC1(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CCCC1 O=C([O-])[*:1] CC1(CCCC1)C(=O)N[C@@H](c1ccccc1)[*:1]
CC1(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CCCC1 CC1(CCCC1)[*:1] O=C([O-])[C@H](NC(=O)[*:1])c1ccccc1
CS(=O)(=O)c1ccc(F)c(NC(=O)c2ccc(CSc3ccccc3)o2)c1 c1ccc(cc1)S[*:1] CS(=O)(=O)c1ccc(F)c(c1)NC(=O)c1ccc(C[*:1])o1
CS(=O)(=O)c1ccc(F)c(NC(=O)c2ccc(CSc3ccccc3)o2)c1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(F)c(c1)NC(=O)c1ccc(CS[*:1])o1
CS(=O)(=O)c1ccc(F)c(NC(=O)c2ccc(CSc3ccccc3)o2)c1 CS(=O)(=O)[*:1] O=C(Nc1cc(ccc1F)[*:1])c1ccc(CSc2ccccc2)o1
CS(=O)(=O)c1ccc(F)c(NC(=O)c2ccc(CSc3ccccc3)o2)c1 c1ccc(cc1)SC[*:1] CS(=O)(=O)c1ccc(F)c(c1)NC(=O)c1ccc(o1)[*:1]
Cc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(=O)[nH]c(n1)S[C@@H](C(=O)N[*:1])c1ccccc1
Cc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 Cc1cc(=O)[nH]c(n1)[*:1] O=C(Nc1ccc(F)cc1)[C@H](S[*:1])c1ccccc1
Cc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(=O)[nH]c(n1)S[C@@H](C(=O)Nc1ccc(F)cc1)[*:1]
CCC[C@@H](CC(=O)OC)NC(=O)c1cc2ccc(F)cc2nc1C COC(=O)[*:1] CCC[C@@H](C[*:1])NC(=O)c1cc2ccc(F)cc2nc1C
CCC[C@@H](CC(=O)OC)NC(=O)c1cc2ccc(F)cc2nc1C COC(=O)C[*:1] CCC[C@@H](NC(=O)c1cc2ccc(F)cc2nc1C)[*:1]
CCC[C@@H](CC(=O)OC)NC(=O)c1cc2ccc(F)cc2nc1C CCC[*:1] COC(=O)C[C@@H](NC(=O)c1cc2ccc(F)cc2nc1C)[*:1]
O=C(c1ccco1)N(CC1=C[C@@H]2N=CC=C2C=C1)C1CC1 C1CC1[*:1] O=C(c1ccco1)N(CC1C=CC2=CC=N[C@H]2C=1)[*:1]
O=C(c1ccco1)N(CC1=C[C@@H]2N=CC=C2C=C1)C1CC1 c1coc(c1)[*:1] O=C(N(CC1C=CC2=CC=N[C@H]2C=1)C1CC1)[*:1]
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1ccccn1 Fc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)Nc1ccccn1
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Nc1ccccn1 c1ccc(nc1)[*:1] C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)N[*:1]
C[C@H](NC(=O)CNC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)CNC(=O)c1ccc(F)c(F)c1)[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C1CC1 Cc1ccccc1[*:1] O=C1CCCN1Cc1ccccc1C[NH2+][C@@H](C1CC1)[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C1CC1 O=C1CCCN1[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1ccccc1C[*:1])C1CC1
Cc1ccccc1[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C1CC1 C1CC1[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C1CC1 O=C1CCCN1C[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1ccccc1[*:1])C1CC1
Cc1nn(C)c(C)c1[C@H](C(=O)[O-])[NH+]1CCCCCCC1 O=C([O-])[*:1] Cc1nn(C)c(C)c1[C@H]([NH+]1CCCCCCC1)[*:1]
N#C/C(=C/c1cccc(OCc2ccccc2C#N)c1)c1ccc(F)cn1 N#Cc1ccccc1C[*:1] N#C/C(=C/c1cccc(c1)O[*:1])c1ccc(F)cn1
N#C/C(=C/c1cccc(OCc2ccccc2C#N)c1)c1ccc(F)cn1 N#Cc1ccccc1[*:1] N#C/C(=C/c1cccc(c1)OC[*:1])c1ccc(F)cn1
N#C/C(=C/c1cccc(OCc2ccccc2C#N)c1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C/C(=C/c1cccc(c1)OCc1ccccc1C#N)[*:1]
COc1cc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc(OC)c1O CC(C)[*:1] COc1cc(cc(OC)c1O)[C@@H]1SCC(O)=Nc2c1c(=O)[nH]n2[*:1]
Oc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C/C=C/c2ccco2)c1 C(=C[*:1])c1ccco1 Oc1cccc(c1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C[*:1]
Oc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C/C=C/c2ccco2)c1 c1coc(c1)[*:1] Oc1cccc(c1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1CC=C[*:1]
Oc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C/C=C/c2ccco2)c1 C(=C/c1ccco1)\C[*:1] Oc1cccc(c1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1[*:1]
Oc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C/C=C/c2ccco2)c1 Oc1cccc(c1)[*:1] C(=C/c1ccco1)\CN1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
Cc1ccccc1CCC(=O)NCCN1C(=O)CNC1=O Cc1ccccc1[*:1] O=C(CC[*:1])NCCN1C(=O)CNC1=O
Cc1ccccc1CCC(=O)NCCN1C(=O)CNC1=O O=C1CNC(=O)N1[*:1] Cc1ccccc1CCC(=O)NCC[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc([S@@](C)=O)cc1 CC(C)[*:1] Cc1ccc(cc1NC(=O)c1ccc(cc1)[S@@](C)=O)NC(=O)[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc([S@@](C)=O)cc1 CC(C)C(=O)N[*:1] Cc1ccc(cc1NC(=O)c1ccc(cc1)[S@@](C)=O)[*:1]
N#Cc1ccc(N2CCC(C(=O)N3CC[NH+](C4CC4)CC3)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(C1CCN(CC1)[*:1])N1CC[NH+](CC1)C1CC1
N#Cc1ccc(N2CCC(C(=O)N3CC[NH+](C4CC4)CC3)CC2)nc1 C1CC1[*:1] N#Cc1ccc(nc1)N1CCC(CC1)C(=O)N1CC[NH+](CC1)[*:1]
CCOc1cccc2cc(C(=O)Nc3sccc3C(=O)OC)c(=O)oc12 CCO[*:1] COC(=O)c1ccsc1NC(=O)c1cc2cccc(c2oc1=O)[*:1]
CCOc1cccc2cc(C(=O)Nc3sccc3C(=O)OC)c(=O)oc12 COC(=O)[*:1] CCOc1cccc2cc(C(=O)Nc3sccc3[*:1])c(=O)oc12
CCn1nc(C)c(NC(=O)N[C@@H](C)C(C)C)c1C CC(C)[C@H](C)[*:1] CCn1nc(C)c(NC(=O)N[*:1])c1C
CCn1nc(C)c(NC(=O)N[C@@H](C)C(C)C)c1C CC(C)[*:1] CCn1nc(C)c(NC(=O)N[C@@H](C)[*:1])c1C
CCC[C@H]1NC(=O)CN(Cc2sccc2C)C1=O CCC[*:1] Cc1ccsc1CN1CC(=O)N[C@@H](C1=O)[*:1]
CCC[C@H]1NC(=O)CN(Cc2sccc2C)C1=O Cc1ccsc1[*:1] CCC[C@H]1NC(=O)CN(C[*:1])C1=O
CC(C)(C)N(CC(=O)[O-])C(=O)C1C[NH2+]C1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)C1C[NH2+]C1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)C1C[NH2+]C1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)C1C[NH2+]C1
CC(C)(C)N(CC(=O)[O-])C(=O)C1C[NH2+]C1 CC(C)(C)[*:1] O=C([O-])CN(C(=O)C1C[NH2+]C1)[*:1]
O=C(Nc1ccc(N2C(=O)C=CC2=O)cc1Cl)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C1C=CC(=O)N1c1ccc(NC(=O)[*:1])c(Cl)c1
C[C@@H](C1CC1)N(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 C1CC1[*:1] C[C@@H](N(C(=O)Nc1cccc(c1)[N+](=O)[O-])c1ccccc1)[*:1]
C[C@@H](C1CC1)N(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C1CC1)N(C(=O)Nc1cccc(c1)[N+](=O)[O-])[*:1]
C[C@@H](C1CC1)N(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 O=[N+]([O-])[*:1] C[C@@H](C1CC1)N(C(=O)Nc1cccc(c1)[*:1])c1ccccc1
COC(=O)c1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)cc1 COC(=O)[*:1] O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(cc1)[*:1]
COCCN(CC(C)C)C(=O)c1nnn[n-]1 COCC[*:1] CC(C)CN(C(=O)c1nnn[n-]1)[*:1]
COCCN(CC(C)C)C(=O)c1nnn[n-]1 CC(C)C[*:1] COCCN(C(=O)c1nnn[n-]1)[*:1]
COCCN(CC(C)C)C(=O)c1nnn[n-]1 CC(C)[*:1] COCCN(C[*:1])C(=O)c1nnn[n-]1
COCCN(CC(C)C)C(=O)c1nnn[n-]1 COC[*:1] CC(C)CN(C[*:1])C(=O)c1nnn[n-]1
CSCC[C@H](C)N(C)C(=O)c1ccc(OC(C)(C)C)cc1 CC(C)(C)O[*:1] CSCC[C@H](C)N(C)C(=O)c1ccc(cc1)[*:1]
CSCC[C@H](C)N(C)C(=O)c1ccc(OC(C)(C)C)cc1 CSCC[*:1] C[C@H](N(C)C(=O)c1ccc(cc1)OC(C)(C)C)[*:1]
CSCC[C@H](C)N(C)C(=O)c1ccc(OC(C)(C)C)cc1 CC(C)(C)[*:1] CSCC[C@H](C)N(C)C(=O)c1ccc(cc1)O[*:1]
CSCC[C@H](C)N(C)C(=O)c1ccc(OC(C)(C)C)cc1 CSC[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccc(cc1)OC(C)(C)C
Nc1[nH]nc(-c2ccccn2)c1Cc1ccccc1 c1ccc(nc1)[*:1] Nc1[nH]nc(c1Cc1ccccc1)[*:1]
Nc1[nH]nc(-c2ccccn2)c1Cc1ccccc1 c1ccc(cc1)[*:1] Nc1[nH]nc(-c2ccccn2)c1C[*:1]
C[C@@H](Cl)c1n[nH]c(=O)n1C C[C@@H](Cl)[*:1] Cn1c(n[nH]c1=O)[*:1]
[NH3+][C@H]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1 C1CC1[*:1] [NH3+][C@H]1CCC[C@@H](C1)[NH2+]C(C1CC1)[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)CSCc3ccccc3)C2)nn(C)c1=O c1ccc(cc1)C[*:1] CC(C)n1c(nn(C)c1=O)[C@H]1CCCN(C1)C(=O)CS[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)CSCc3ccccc3)C2)nn(C)c1=O CC(C)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)CSCc2ccccc2)n(c1=O)[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)CSCc3ccccc3)C2)nn(C)c1=O c1ccc(cc1)CSC[*:1] CC(C)n1c(nn(C)c1=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)CSCc3ccccc3)C2)nn(C)c1=O c1ccc(cc1)[*:1] CC(C)n1c(nn(C)c1=O)[C@H]1CCCN(C1)C(=O)CSC[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)CSCc3ccccc3)C2)nn(C)c1=O c1ccc(cc1)CS[*:1] CC(C)n1c(nn(C)c1=O)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1cccc(NC(=O)c2sc(=S)n(C3CCCCC3)c2N)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)NC(=O)c1sc(=S)n(c1N)[*:1]
Cc1cccc(NC(=O)c2sc(=S)n(C3CCCCC3)c2N)c1 Cc1cccc(c1)[*:1] Nc1c(sc(=S)n1C1CCCCC1)C(=O)N[*:1]
Cn1ncc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C(N)=O Cn1ncc(c1C(N)=O)[*:1] O=C(CCn1nc(c(Br)c1C1CC1)C(F)(F)F)N[*:1]
Cn1ncc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C(N)=O FC(F)(F)[*:1] Cn1ncc(NC(=O)CCn2nc(c(Br)c2C2CC2)[*:1])c1C(N)=O
Cn1ncc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C(N)=O C1CC1[*:1] Cn1ncc(NC(=O)CCn2nc(c(Br)c2[*:1])C(F)(F)F)c1C(N)=O
Cn1ncc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C(N)=O NC(=O)[*:1] Cn1ncc(NC(=O)CCn2nc(c(Br)c2C2CC2)C(F)(F)F)c1[*:1]
O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 c1cc(n[nH]1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)c1cccc(c1)[*:1]
C[C@H]1[C@H]([NH2+]C[C@@H]2CC[C@H](C(N)=O)O2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1[C@@H](CC(=O)N1[*:1])[NH2+]C[C@@H]1CC[C@@H](O1)C(N)=O
C[C@H]1[C@H]([NH2+]C[C@@H]2CC[C@H](C(N)=O)O2)CC(=O)N1Cc1ccccc1 NC(=O)[*:1] C[C@H]1[C@@H](CC(=O)N1Cc1ccccc1)[NH2+]C[C@@H]1CC[C@H](O1)[*:1]
C[C@H]1[C@H]([NH2+]C[C@@H]2CC[C@H](C(N)=O)O2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1[C@@H](CC(=O)N1C[*:1])[NH2+]C[C@@H]1CC[C@@H](O1)C(N)=O
O=C(CSc1ccccn1)c1cnc(N2CCCCC2)s1 c1ccc(nc1)[*:1] O=C(CS[*:1])c1cnc(s1)N1CCCCC1
O=C(CSc1ccccn1)c1cnc(N2CCCCC2)s1 c1ccc(nc1)S[*:1] O=C(C[*:1])c1cnc(s1)N1CCCCC1
O=C(CSc1ccccn1)c1cnc(N2CCCCC2)s1 C1CCN(CC1)[*:1] O=C(CSc1ccccn1)c1cnc(s1)[*:1]
Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 Clc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1C(=O)NC[C@H](n1cccn1)[*:1]
Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 Cc1nn(C)c(C)c1[*:1] O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)[*:1]
Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 c1cnn(c1)[*:1] Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccc(Cl)cc1)[*:1]
COc1cccc(S(=O)(=O)CCN2CCOC[C@H]2C2CC2)c1 C1CC1[*:1] COc1cccc(c1)S(=O)(=O)CCN1CCOC[C@@H]1[*:1]
CCN(CC)c1ncnc(NCCN2CCOCC2)c1N C1CN(CCO1)C[*:1] CCN(CC)c1ncnc(NC[*:1])c1N
CCN(CC)c1ncnc(NCCN2CCOCC2)c1N CCN(CC)[*:1] Nc1c(ncnc1[*:1])NCCN1CCOCC1
CCN(CC)c1ncnc(NCCN2CCOCC2)c1N C1CN(CCO1)[*:1] CCN(CC)c1ncnc(NCC[*:1])c1N
Cc1cc([O-])c(C2=NCCS[C@@H](c3ccc([O-])c([N+](=O)[O-])c3)C2)c(=O)o1 O=[N+]([O-])[*:1] Cc1cc([O-])c(C2C[C@@H](SCCN=2)c2ccc([O-])c(c2)[*:1])c(=O)o1
CCN(C(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)Nc1ccc(F)c(F)c1)[*:1]
COc1ccc(Cl)cc1[C@@H](C)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] COc1ccc(Cl)cc1[C@@H](C)N[C@@H]1CCN(C[*:1])C1=O
COc1ccc(Cl)cc1[C@@H](C)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] COc1ccc(Cl)cc1[C@@H](C)N[C@@H]1CCN(C1=O)[*:1]
CCOCCN(C)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O CCOC[*:1] CN(C[*:1])C(=O)c1cc2C(=O)CC(C)(C)Cc2[nH]c1=O
CCOCCN(C)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O CCOCC[*:1] CN(C(=O)c1cc2C(=O)CC(C)(C)Cc2[nH]c1=O)[*:1]
CCOCCN(C)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O CCO[*:1] CN(CC[*:1])C(=O)c1cc2C(=O)CC(C)(C)Cc2[nH]c1=O
C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2ccccc2Br)C1=O Brc1ccccc1C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(F)c(F)c1
C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2ccccc2Br)C1=O Brc1ccccc1[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)c(F)c1
C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2ccccc2Br)C1=O Fc1ccc(cc1F)[*:1] C[C@]1(NC(=O)N(Cc2ccccc2Br)C1=O)[*:1]
CCOc1ccc(C(=O)N(C)Cc2nnc3ccccn23)cc1 CCO[*:1] CN(Cc1nnc2ccccn12)C(=O)c1ccc(cc1)[*:1]
CCOc1ccc(Cl)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2)C1=O c1ccc(cc1)[*:1] CCOc1ccc(Cl)cc1/C=C1/NC(=O)N(CC(=O)N[*:1])C1=O
CCOc1ccc(Cl)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2)C1=O O=C(Nc1ccccc1)[*:1] CCOc1ccc(Cl)cc1/C=C1/NC(=O)N(C[*:1])C1=O
CCOc1ccc(Cl)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2)C1=O CCO[*:1] O=C(CN1C(=O)N/C(=C/c2cc(Cl)ccc2[*:1])C1=O)Nc1ccccc1
O=C1CN(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2N1 c1ccc2c(c[nH]c2c1)[*:1] O=C1CN(C(=O)CN2C(=O)N[C@@H](C[*:1])C2=O)c2ccccc2N1
O=C1CN(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2N1 c1ccc2c(c[nH]c2c1)C[*:1] O=C1CN(C(=O)CN2C(=O)N[C@@H](C2=O)[*:1])c2ccccc2N1
C[C@H](NC(=O)C(=O)Nc1ccnn1C(C)(C)C)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccnn1C(C)(C)C)[C@@H](C)[*:1]
C[C@H](NC(=O)C(=O)Nc1ccnn1C(C)(C)C)[C@@H](C)c1ccccc1 CC(C)(C)[*:1] C[C@H](NC(=O)C(=O)Nc1ccnn1[*:1])[C@@H](C)c1ccccc1
C[C@H](NC(=O)C(=O)Nc1ccnn1C(C)(C)C)[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccnn1C(C)(C)C)[*:1]
C[C@H](C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)N[C@@H]1CCN(C1=O)c1c(F)cccc1F)[*:1]
C[C@H](C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccsc1 C[C@H](c1ccsc1)[*:1] O=C1[C@@H](CCN1c1c(F)cccc1F)NC(=O)[*:1]
C[C@H](C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccsc1 Fc1cccc(F)c1[*:1] C[C@H](C(=O)N[C@@H]1CCN(C1=O)[*:1])c1ccsc1
O=C(Nc1nc(-c2ccco2)cs1)c1cccc(N2CCNC2=O)c1 O=C1NCCN1[*:1] O=C(Nc1nc(cs1)-c1ccco1)c1cccc(c1)[*:1]
O=C(Nc1nc(-c2ccco2)cs1)c1cccc(N2CCNC2=O)c1 c1coc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cccc(c1)N1CCNC1=O
COC[C@@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccc(F)c(F)c1 Clc1cc(ccn1)[*:1] COC[C@@H](N[C@@H](C)[*:1])c1ccc(F)c(F)c1
COC[C@@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccc(F)c(F)c1 COC[*:1] C[C@H](N[C@@H](c1ccc(F)c(F)c1)[*:1])c1ccnc(Cl)c1
CC(C)CNc1nc(Cc2ccccc2)nc2c1SCCC2 CC(C)C[*:1] c1ccc(cc1)Cc1nc2CCCSc2c(n1)N[*:1]
CC(C)CNc1nc(Cc2ccccc2)nc2c1SCCC2 c1ccc(cc1)C[*:1] CC(C)CNc1nc(nc2CCCSc21)[*:1]
CC(C)CNc1nc(Cc2ccccc2)nc2c1SCCC2 CC(C)CN[*:1] c1ccc(cc1)Cc1nc2CCCSc2c(n1)[*:1]
CC(C)CNc1nc(Cc2ccccc2)nc2c1SCCC2 CC(C)[*:1] c1ccc(cc1)Cc1nc2CCCSc2c(n1)NC[*:1]
CC(C)CNc1nc(Cc2ccccc2)nc2c1SCCC2 c1ccc(cc1)[*:1] CC(C)CNc1nc(C[*:1])nc2CCCSc21
[NH3+]C[C@@H]1CN(Cc2cccn2-c2ccc(Cl)cn2)CCO1 Clc1ccc(nc1)[*:1] [NH3+]C[C@@H]1CN(CCO1)Cc1cccn1[*:1]
Cc1c(NC(=O)c2cccc(NC(=O)CC3CCCC3)c2)c(=O)n(-c2ccccc2)n1C C1CCC(C1)[*:1] Cc1c(NC(=O)c2cccc(c2)NC(=O)C[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)c2cccc(NC(=O)CC3CCCC3)c2)c(=O)n(-c2ccccc2)n1C O=C(CC1CCCC1)N[*:1] Cc1c(NC(=O)c2cccc(c2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)c2cccc(NC(=O)CC3CCCC3)c2)c(=O)n(-c2ccccc2)n1C C1CCC(C1)C[*:1] Cc1c(NC(=O)c2cccc(c2)NC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)c2cccc(NC(=O)CC3CCCC3)c2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)c2cccc(c2)NC(=O)CC2CCCC2)c(=O)n(n1C)[*:1]
NC(=O)CCCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 NC(=O)CC[*:1] O=C(OC[*:1])[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
NC(=O)CCCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 NC(=O)[*:1] O=C(OCCC[*:1])[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
NC(=O)CCCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 NC(=O)C[*:1] O=C(OCC[*:1])[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
NC(=O)CCCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 NC(=O)CCC[*:1] O=C(O[*:1])[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
COc1ccc(C)cc1[C@H](C)N[C@H](C)C(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(C)cc1[C@H](C)N[C@H](C)C(=O)NC[*:1]
COc1ccc(C)cc1[C@H](C)N[C@H](C)C(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(C)cc1[C@H](C)N[C@H](C)C(=O)N[*:1]
O=C(CN1CSCC1=O)NC1(c2ccc(F)cc2)CCCC1 Fc1ccc(cc1)[*:1] O=C(CN1CSCC1=O)NC1(CCCC1)[*:1]
O=C(CN1CSCC1=O)NC1(c2ccc(F)cc2)CCCC1 O=C1CSCN1C[*:1] O=C(NC1(CCCC1)c1ccc(F)cc1)[*:1]
O=C(CN1CSCC1=O)NC1(c2ccc(F)cc2)CCCC1 O=C1CSCN1[*:1] O=C(C[*:1])NC1(CCCC1)c1ccc(F)cc1
CCOc1ccc(-c2ccc(N3CCC[C@H](C(=O)[O-])C3)nn2)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)-c1ccc(nn1)N1CCC[C@H](C1)[*:1]
CCOc1ccc(-c2ccc(N3CCC[C@H](C(=O)[O-])C3)nn2)cc1 CCO[*:1] O=C([O-])[C@H]1CCCN(C1)c1ccc(nn1)-c1ccc(cc1)[*:1]
Cc1ccc2nc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)[nH]c2c1 O=[N+]([O-])[*:1] Cc1ccc2nc([nH]c2c1)SCc1nc(no1)-c1cccc(c1)[*:1]
CCOC(=O)[C@@H](C)NCc1cc(Cl)cs1 CCOC(=O)[*:1] C[C@@H](NCc1cc(Cl)cs1)[*:1]
O=C(Nc1ccccc1)c1cc2c(s1)CCN(C(=O)c1ccnc3ncccc13)C2 O=C(Nc1ccccc1)[*:1] O=C(c1ccnc2ncccc12)N1CCc2sc(cc2C1)[*:1]
O=C(Nc1ccccc1)c1cc2c(s1)CCN(C(=O)c1ccnc3ncccc13)C2 c1cnc2nccc(c2c1)[*:1] O=C(Nc1ccccc1)c1cc2CN(CCc2s1)C(=O)[*:1]
O=C(Nc1ccccc1)c1cc2c(s1)CCN(C(=O)c1ccnc3ncccc13)C2 c1ccc(cc1)[*:1] O=C(N[*:1])c1cc2CN(CCc2s1)C(=O)c1ccnc2ncccc12
O[C@@H]1CCN(c2ccc(-c3ccccc3)nn2)C1 O[C@@H]1CCN(C1)[*:1] c1ccc(cc1)-c1ccc(nn1)[*:1]
O[C@@H]1CCN(c2ccc(-c3ccccc3)nn2)C1 c1ccc(cc1)[*:1] O[C@@H]1CCN(C1)c1ccc(nn1)[*:1]
CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1 CCNS(=O)(=O)[*:1] COc1ccc(cc1Cl)NC(=O)c1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)[C@H](C)CCc1ccccc1F)c1nnc2n1CCC2 Fc1ccccc1[*:1] CC(C)[C@H](NC(=O)[C@H](C)CC[*:1])c1nnc2CCCn21
CC(C)[C@H](NC(=O)[C@H](C)CCc1ccccc1F)c1nnc2n1CCC2 CC(C)[*:1] C[C@H](CCc1ccccc1F)C(=O)N[C@H](c1nnc2CCCn21)[*:1]
CC(C)[C@H](NC(=O)[C@H](C)CCc1ccccc1F)c1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] CC(C)[C@H](NC(=O)[C@H](C)CCc1ccccc1F)[*:1]
CC(C)[C@H](NC(=O)[C@H](C)CCc1ccccc1F)c1nnc2n1CCC2 Fc1ccccc1C[*:1] CC(C)[C@H](NC(=O)[C@H](C)C[*:1])c1nnc2CCCn21
Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](C[*:1])C(=O)N(C)C
Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C c1ccc(cc1)C[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](C(=O)N(C)C)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C Cc1ccc(Cl)cc1[*:1] CN(C)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)[*:1]
C[NH+](Cc1c[nH]nc1C(C)(C)C)Cc1[nH]nc2c1CCCC2 CC(C)(C)[*:1] C[NH+](Cc1c[nH]nc1[*:1])Cc1[nH]nc2CCCCc21
O=C(OCc1cc(-c2ccc(F)cc2)on1)c1c[nH]c2ccccc12 Fc1ccc(cc1)[*:1] O=C(OCc1cc(on1)[*:1])c1c[nH]c2ccccc12
Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 O=[N+]([O-])[*:1] Cc1ccc(CNS(=O)(=O)c2ccc(cc2F)[*:1])s1
Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 Cc1ccc(C[*:1])s1 O=[N+]([O-])c1ccc(c(F)c1)S(=O)(=O)N[*:1]
Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 Cc1ccc(s1)[*:1] O=[N+]([O-])c1ccc(c(F)c1)S(=O)(=O)NC[*:1]
CC(C)(C)c1ncc(C[NH+]2CCC(Nc3ccccc3)CC2)s1 c1ccc(cc1)N[*:1] CC(C)(C)c1ncc(C[NH+]2CCC(CC2)[*:1])s1
CC(C)(C)c1ncc(C[NH+]2CCC(Nc3ccccc3)CC2)s1 CC(C)(C)[*:1] c1ccc(cc1)NC1CC[NH+](CC1)Cc1cnc(s1)[*:1]
CC(C)(C)c1ncc(C[NH+]2CCC(Nc3ccccc3)CC2)s1 c1ccc(cc1)[*:1] CC(C)(C)c1ncc(C[NH+]2CCC(CC2)N[*:1])s1
O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1cc(=O)c2ccccc2o1 c1csc(c1)[*:1] O=C(NCC[C@@H]1CCCCN1S(=O)(=O)[*:1])c1cc(=O)c2ccccc2o1
Cc1cc(C)c(CNC(=O)C(C)(C)c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1cc(C)c(CNC(=O)C(C)(C)[*:1])c(=O)[nH]1
COc1cccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4cccs4)nn3)C2)c1 COc1cccc(c1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-c1cccs1
COc1cccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4cccs4)nn3)C2)c1 c1csc(c1)[*:1] COc1cccc(c1)CNC(=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
COc1cccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4cccs4)nn3)C2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-c1cccs1
COCCCn1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)n1 COCCC[*:1] c1cncc(c1)-c1nc(Nc2ccn(n2)[*:1])c2ccccc2n1
COCCCn1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)n1 COC[*:1] c1cncc(c1)-c1nc(Nc2ccn(CC[*:1])n2)c2ccccc2n1
COCCCn1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)n1 COCC[*:1] c1cncc(c1)-c1nc(Nc2ccn(C[*:1])n2)c2ccccc2n1
COCCCn1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)n1 c1cncc(c1)[*:1] COCCCn1ccc(n1)Nc1nc(nc2ccccc12)[*:1]
COc1cccc(CN2CCC3=NC(SCc4nc(-c5ccccc5)oc4C)=NC(=O)[C@@H]3C2)c1 COc1cccc(c1)C[*:1] Cc1oc(nc1CSC1=NC(=O)[C@@H]2CN(CCC2=N1)[*:1])-c1ccccc1
COc1cccc(CN2CCC3=NC(SCc4nc(-c5ccccc5)oc4C)=NC(=O)[C@@H]3C2)c1 COc1cccc(c1)[*:1] Cc1oc(nc1CSC1=NC(=O)[C@@H]2CN(CCC2=N1)C[*:1])-c1ccccc1
COc1cccc(CN2CCC3=NC(SCc4nc(-c5ccccc5)oc4C)=NC(=O)[C@@H]3C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CN1CCC2=NC(=NC(=O)[C@@H]2C1)SCc1nc(oc1C)[*:1]
Cc1nn(C)cc1/C([O-])=C/C(=O)C(F)(F)F FC(F)(F)[*:1] Cc1nn(C)cc1/C([O-])=C/C(=O)[*:1]
N#Cc1nc(C2CC2)oc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 O=[N+]([O-])[*:1] N#Cc1nc(oc1N1CCN(CC1)c1ccc(cn1)[*:1])C1CC1
N#Cc1nc(C2CC2)oc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 C1CC1[*:1] N#Cc1nc(oc1N1CCN(CC1)c1ccc(cn1)[N+](=O)[O-])[*:1]
CCNc1ncc(CSc2nccn2C)s1 CCN[*:1] Cn1ccnc1SCc1cnc(s1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cc(C)oc2C)c1 CCCC(=O)N[*:1] Cc1cc(C(=O)NCC(=O)Nc2cccc(c2)[*:1])c(C)o1
CCCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cc(C)oc2C)c1 Cc1cc(c(C)o1)[*:1] CCCC(=O)Nc1cccc(c1)NC(=O)CNC(=O)[*:1]
CCCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cc(C)oc2C)c1 CCC[*:1] Cc1cc(C(=O)NCC(=O)Nc2cccc(c2)NC(=O)[*:1])c(C)o1
CCc1cc(C#N)c(NC(=O)CCc2ccc(Cl)s2)s1 Clc1ccc(s1)[*:1] CCc1cc(C#N)c(NC(=O)CC[*:1])s1
Cc1nc(S(=O)(=O)NCCC(=O)Nc2cnn(-c3ccccc3)c2)cn1C c1ccc(cc1)[*:1] Cc1nc(cn1C)S(=O)(=O)NCCC(=O)Nc1cnn(c1)[*:1]
Cc1nc(S(=O)(=O)NCCC(=O)Nc2cnn(-c3ccccc3)c2)cn1C Cc1nc(cn1C)[*:1] O=C(CCNS(=O)(=O)[*:1])Nc1cnn(c1)-c1ccccc1
Cc1cnc(C(C)(C)NC(=O)NCCCN2C(=O)CCC2=O)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)NCCCN1C(=O)CCC1=O)[*:1]
Cc1cnc(C(C)(C)NC(=O)NCCCN2C(=O)CCC2=O)s1 O=C1CCC(=O)N1[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NCCC[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CCC(CC1)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CCC(CC1)C[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)Cc1ccccc1
CCOc1ccc(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 c1ccc2oc(nc2c1)[*:1] CCOc1ccc(cc1)CC(=O)N1CCC(CC1)[*:1]
CCOc1ccc(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC(CC1)c1nc2ccccc2o1
CCOc1ccc(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCC(CC1)c1nc2ccccc2o1
O=C(NC[C@H](O)c1cccc2ccccc12)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NC[C@H](O)c1cccc2ccccc12)C(=O)N[*:1]
O=C(c1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccccc1)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
O=C(c1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(N1CCN(CC1)[C@@H](c1ccccc1)c1ccc(F)cc1)[*:1]
O=C(c1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1)N1CCN(CC1)[C@@H](c1ccc(F)cc1)[*:1]
CC(=O)c1ccc(NC(=O)N[C@@H](C)C[C@@H](O)c2ccco2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1
CC(=O)c1ccc(NC(=O)N[C@@H](C)C[C@@H](O)c2ccco2)cc1C c1coc(c1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[C@@H](C)C[C@@H](O)[*:1]
CC(=O)c1ccc(NC(=O)N[C@@H](C)C[C@@H](O)c2ccco2)cc1C O[C@@H](c1ccco1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[C@@H](C)C[*:1]
CN(Cc1ccc(O)cc1)C(=O)Cc1ccc(-n2cccc2)cc1 Oc1ccc(cc1)[*:1] CN(C[*:1])C(=O)Cc1ccc(cc1)-n1cccc1
CN(Cc1ccc(O)cc1)C(=O)Cc1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] CN(Cc1ccc(O)cc1)C(=O)Cc1ccc(cc1)[*:1]
CN(Cc1ccc(O)cc1)C(=O)Cc1ccc(-n2cccc2)cc1 Oc1ccc(cc1)C[*:1] CN(C(=O)Cc1ccc(cc1)-n1cccc1)[*:1]
O=C1CCC(CCC(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)=NN1 C1CCC(CC1)[*:1] O=C1CCC(CCC(=O)N2CC[C@]3(CCCN(C3=O)[*:1])C2)=NN1
CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(-n3cccn3)cc2)C1 c1cnn(c1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)Nc1ccc(cc1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(-n3cccn3)cc2)C1 CCNS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)-n1cccn1)N1CC[C@H](C1)[*:1]
CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 CNC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Cl)cc1
Cc1csc(NC(=O)C[NH+]2CCC(c3nnc(C4CC4)o3)CC2)n1 Cc1csc(n1)[*:1] O=C(C[NH+]1CCC(CC1)c1nnc(o1)C1CC1)N[*:1]
Cc1csc(NC(=O)C[NH+]2CCC(c3nnc(C4CC4)o3)CC2)n1 C1CC1[*:1] Cc1csc(n1)NC(=O)C[NH+]1CCC(CC1)c1nnc(o1)[*:1]
Cc1csc(NC(=O)C[NH+]2CCC(c3nnc(C4CC4)o3)CC2)n1 C1CC1c1nnc(o1)[*:1] Cc1csc(n1)NC(=O)C[NH+]1CCC(CC1)[*:1]
Cc1cc(C)c(C(=O)Nc2cccc(S(C)(=O)=O)c2C)c(C)c1 CS(=O)(=O)[*:1] Cc1cc(C)c(C(=O)Nc2cccc(c2C)[*:1])c(C)c1
CC(=O)Nc1ccc(O[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1 CC(=O)N[*:1] Cc1cc(ccc1F)-c1noc(n1)[C@H](C)Oc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(O[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc1 Cc1cc(ccc1F)[*:1] CC(=O)Nc1ccc(cc1)O[C@@H](C)c1nc(no1)[*:1]
NC(=O)c1cc(OC2CCN(C(=O)C3CCC3)CC2)ccn1 NC(=O)[*:1] O=C(C1CCC1)N1CCC(CC1)Oc1ccnc(c1)[*:1]
NC(=O)c1cc(OC2CCN(C(=O)C3CCC3)CC2)ccn1 C1CC(C1)[*:1] NC(=O)c1cc(ccn1)OC1CCN(CC1)C(=O)[*:1]
O=C(CCC(=O)c1ccccc1)NCC#CCOc1ccc2c(c1)OCO2 O=C(C[*:1])c1ccccc1 O=C(C[*:1])NCC#CCOc1ccc2OCOc2c1
O=C(CCC(=O)c1ccccc1)NCC#CCOc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CCC(=O)c1ccccc1)NCC#CCO[*:1]
O=C(CCC(=O)c1ccccc1)NCC#CCOc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])NCC#CCOc1ccc2OCOc2c1
O=C(CCC(=O)c1ccccc1)NCC#CCOc1ccc2c(c1)OCO2 O=C(c1ccccc1)[*:1] O=C(CC[*:1])NCC#CCOc1ccc2OCOc2c1
Cc1cc(C[NH+]2CCN(C(=O)c3oc4ccc(Cl)cc4c3C)CC2)no1 Cc1cc(no1)[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)N1CC[NH+](CC1)C[*:1]
Cc1cc(C[NH+]2CCN(C(=O)c3oc4ccc(Cl)cc4c3C)CC2)no1 Cc1cc(C[*:1])no1 Cc1c(oc2ccc(Cl)cc12)C(=O)N1CC[NH+](CC1)[*:1]
CC(=O)NCC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 CC(C)[*:1] CC(=O)NCC(=O)NC[C@@H](N1CC[NH+](C)CC1)[*:1]
CC(=O)NCC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 CC(=O)N[*:1] CC(C)[C@H](CNC(=O)C[*:1])N1CC[NH+](C)CC1
CC(=O)NCC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 CC(=O)NC[*:1] CC(C)[C@H](CNC(=O)[*:1])N1CC[NH+](C)CC1
CN(CCCc1ccccc1)C(=O)NCc1nnc2n1CCCCC2 c1ccc(cc1)[*:1] CN(CCC[*:1])C(=O)NCc1nnc2CCCCCn21
CN(CCCc1ccccc1)C(=O)NCc1nnc2n1CCCCC2 c1ccc(cc1)C[*:1] CN(CC[*:1])C(=O)NCc1nnc2CCCCCn21
CN(CCCc1ccccc1)C(=O)NCc1nnc2n1CCCCC2 c1ccc(cc1)CC[*:1] CN(C[*:1])C(=O)NCc1nnc2CCCCCn21
CCOc1ccc(Oc2ccc(F)cc2N)cc1 CCO[*:1] Nc1cc(F)ccc1Oc1ccc(cc1)[*:1]
Cc1cccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])N1CCC(CC1)c1nc(cc(=O)[nH]1)-c1nccs1
Cc1cccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c1 c1csc(n1)[*:1] Cc1cccc(c1)CC(=O)N1CCC(CC1)c1nc(cc(=O)[nH]1)[*:1]
Cc1cccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c1 Cc1cccc(c1)C[*:1] O=C(N1CCC(CC1)c1nc(cc(=O)[nH]1)-c1nccs1)[*:1]
Cn1c(=O)c2c(nc(N/N=C/c3ccccc3)n2Cc2ccc(Cl)cc2)n(C)c1=O Clc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(N/N=C/c3ccccc3)n2C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N/N=C/c3ccccc3)n2Cc2ccc(Cl)cc2)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(NN=C[*:1])n2Cc2ccc(Cl)cc2)n(C)c1=O
Cn1c(=O)c2c(nc(N/N=C/c3ccccc3)n2Cc2ccc(Cl)cc2)n(C)c1=O Clc1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(N/N=C/c3ccccc3)n2[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N/N=C/c3ccccc3)n2Cc2ccc(Cl)cc2)n(C)c1=O C(=N/N[*:1])\c1ccccc1 Cn1c(=O)c2c(nc(n2Cc2ccc(Cl)cc2)[*:1])n(C)c1=O
c1ccc2[nH]c(-c3cncc(N4CCCCC4)n3)nc2c1 C1CCN(CC1)[*:1] c1ccc2[nH]c(nc2c1)-c1cncc(n1)[*:1]
Cc1ccnc(-n2nccc2NC(=O)C2C[C@H](C)O[C@@H](C)C2)c1 Cc1ccnc(c1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccnn1[*:1]
COc1ccccc1CN1C(=O)C(O)=C(c2ccccc2)[C@@H]1c1cccc(Br)c1 COc1ccccc1C[*:1] O=C1C(O)=C(c2ccccc2)[C@H](c2cccc(Br)c2)N1[*:1]
COc1ccccc1CN1C(=O)C(O)=C(c2ccccc2)[C@@H]1c1cccc(Br)c1 c1ccc(cc1)[*:1] COc1ccccc1CN1C(=O)C(O)=C([C@@H]1c1cccc(Br)c1)[*:1]
COc1ccccc1CN1C(=O)C(O)=C(c2ccccc2)[C@@H]1c1cccc(Br)c1 COc1ccccc1[*:1] O=C1C(O)=C(c2ccccc2)[C@H](c2cccc(Br)c2)N1C[*:1]
COc1ccccc1CN1C(=O)C(O)=C(c2ccccc2)[C@@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] COc1ccccc1CN1C(=O)C(O)=C(c2ccccc2)[C@H]1[*:1]
O=C(CSc1nnc(-c2ccco2)n1-n1cccc1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CSc1nnc(-c2ccco2)n1-n1cccc1)Nc1cccc(c1)[*:1]
O=C(CSc1nnc(-c2ccco2)n1-n1cccc1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(CSc1nnc(-c2ccco2)n1-n1cccc1)N[*:1]
O=C(CSc1nnc(-c2ccco2)n1-n1cccc1)Nc1cccc(C(F)(F)F)c1 c1coc(c1)[*:1] O=C(CSc1nnc(n1-n1cccc1)[*:1])Nc1cccc(c1)C(F)(F)F
Cc1nc(C[NH+]2CCN(Cc3cc(C)n(-c4nccs4)c3C)CC2)no1 Cc1nc(C[*:1])no1 Cc1cc(CN2CC[NH+](CC2)[*:1])c(C)n1-c1nccs1
Cc1nc(C[NH+]2CCN(Cc3cc(C)n(-c4nccs4)c3C)CC2)no1 c1csc(n1)[*:1] Cc1nc(C[NH+]2CCN(CC2)Cc2cc(C)n(c2C)[*:1])no1
Cc1nc(C[NH+]2CCN(Cc3cc(C)n(-c4nccs4)c3C)CC2)no1 Cc1nc(no1)[*:1] Cc1cc(CN2CC[NH+](CC2)C[*:1])c(C)n1-c1nccs1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(CC1CCC1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(CC1CCC1)[C@H](C)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 C1CC(C1)C[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N([C@H](C)c1ccccc1)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 Cc1n[nH]c(C)c1C[*:1] C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H](C)[*:1]
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 Cc1n[nH]c(C)c1[*:1] C[C@H](C[*:1])C(=O)N(CC1CCC1)[C@H](C)c1ccccc1
Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 C1CC(C1)[*:1] Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C[*:1])[C@H](C)c1ccccc1
O=C(NNC(=O)c1ccncc1)NC1CCCCC1 c1cc(ccn1)[*:1] O=C(NNC(=O)[*:1])NC1CCCCC1
O=C(NNC(=O)c1ccncc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NNC(=O)c1ccncc1)N[*:1]
O=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1nc(C2CC2)no1 C1CC1[*:1] O=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1nc(no1)[*:1]
O=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1nc(C2CC2)no1 Clc1ccc(c(Cl)c1)[*:1] O=C(NCCNC(=O)[*:1])c1nc(no1)C1CC1
O=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] O=C(NCCNC(=O)[*:1])c1ccc(Cl)cc1Cl
O=C1CO[C@@H](c2ccc(OC(F)(F)F)cc2)CN1 FC(F)(F)O[*:1] O=C1CO[C@H](CN1)c1ccc(cc1)[*:1]
O=C1CO[C@@H](c2ccc(OC(F)(F)F)cc2)CN1 FC(F)(F)[*:1] O=C1CO[C@H](CN1)c1ccc(cc1)O[*:1]
Cc1n[nH]c(C)c1CCOC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 Cc1n[nH]c(C)c1[*:1] O=C(OCC[*:1])[C@@H]1C[C@@]12CCCc1ccccc12
Cc1n[nH]c(C)c1CCOC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 Cc1n[nH]c(C)c1C[*:1] O=C(OC[*:1])[C@@H]1C[C@@]12CCCc1ccccc12
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C[C@H](C)O)CC1 C[C@H](O)[*:1] CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(CC1)C[*:1]
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C[C@H](C)O)CC1 N#Cc1ccccc1[*:1] CC(C)[C@@H](O[*:1])C(=O)N1CCN(CC1)C[C@H](C)O
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C[C@H](C)O)CC1 C[C@H](O)C[*:1] CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(CC1)[*:1]
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C[C@H](C)O)CC1 CC(C)[*:1] C[C@H](O)CN1CCN(CC1)C(=O)[C@H](Oc1ccccc1C#N)[*:1]
CNC(=O)COC(=O)c1ccc(F)c(F)c1 CNC(=O)[*:1] O=C(OC[*:1])c1ccc(F)c(F)c1
CNC(=O)COC(=O)c1ccc(F)c(F)c1 CNC(=O)C[*:1] O=C(O[*:1])c1ccc(F)c(F)c1
CN(CCCNC(=O)C1=Cc2ccccc2OC1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(NCCC[*:1])C1=Cc2ccccc2OC1
CN(CCCNC(=O)C1=Cc2ccccc2OC1)S(C)(=O)=O CN(C[*:1])S(C)(=O)=O O=C(NCC[*:1])C1=Cc2ccccc2OC1
COCC(=O)Nc1ccc2c(c1)CN(Cc1cccc(OC)c1OC)C(=O)CO2 COCC(=O)N[*:1] COc1cccc(CN2Cc3cc(ccc3OCC2=O)[*:1])c1OC
COCC(=O)Nc1ccc2c(c1)CN(Cc1cccc(OC)c1OC)C(=O)CO2 COC[*:1] COc1cccc(CN2Cc3cc(ccc3OCC2=O)NC(=O)[*:1])c1OC
NC1=NC(=O)[C@@H](CC(=O)N[C@@H](c2ccc(F)cc2)C2CC2)S1 C1CC1[*:1] NC1=NC(=O)[C@@H](CC(=O)N[C@@H](c2ccc(F)cc2)[*:1])S1
NC1=NC(=O)[C@@H](CC(=O)N[C@@H](c2ccc(F)cc2)C2CC2)S1 Fc1ccc(cc1)[*:1] NC1=NC(=O)[C@@H](CC(=O)N[C@@H](C2CC2)[*:1])S1
C/[NH+]=C(\N)SCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 Cc1ccc(cc1)[*:1] C/[NH+]=C(\N)SCC(=O)N1N=C(C[C@H]1c1ccco1)[*:1]
C/[NH+]=C(\N)SCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 c1coc(c1)[*:1] C/[NH+]=C(\N)SCC(=O)N1N=C(C[C@@H]1[*:1])c1ccc(C)cc1
O=C(NCc1ccsc1)C(=O)Nc1ccc(-c2nccs2)cc1 c1cc(cs1)C[*:1] O=C(Nc1ccc(cc1)-c1nccs1)C(=O)N[*:1]
O=C(NCc1ccsc1)C(=O)Nc1ccc(-c2nccs2)cc1 c1csc(n1)[*:1] O=C(NCc1ccsc1)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCc1ccsc1)C(=O)Nc1ccc(-c2nccs2)cc1 c1cc(cs1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)-c1nccs1
COC(=O)[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccccc1 N#Cc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)CN[*:1])c1ccccc1
COC(=O)[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccccc1 COC(=O)[*:1] N#Cc1ccc(cc1)NCC(=O)N[C@H](c1ccccc1)[*:1]
COC(=O)[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)CNc1ccc(C#N)cc1)[*:1]
CC(C)CCNc1cc(C(=O)N(C)C)ccc1Cl CN(C)C(=O)[*:1] CC(C)CCNc1cc(ccc1Cl)[*:1]
CC(C)CCNc1cc(C(=O)N(C)C)ccc1Cl CC(C)CCN[*:1] CN(C)C(=O)c1ccc(Cl)c(c1)[*:1]
CC(C)CCNc1cc(C(=O)N(C)C)ccc1Cl CC(C)CC[*:1] CN(C)C(=O)c1ccc(Cl)c(c1)N[*:1]
CC(C)CCNc1cc(C(=O)N(C)C)ccc1Cl CC(C)[*:1] CN(C)C(=O)c1ccc(Cl)c(c1)NCC[*:1]
CC(C)CCNc1cc(C(=O)N(C)C)ccc1Cl CC(C)C[*:1] CN(C)C(=O)c1ccc(Cl)c(c1)NC[*:1]
CC(C)CC1(C(=O)N(C)[C@H](C)CC[NH3+])CCCC1 CC(C)[*:1] C[C@H](CC[NH3+])N(C)C(=O)C1(CCCC1)C[*:1]
CC(C)CC1(C(=O)N(C)[C@H](C)CC[NH3+])CCCC1 CC(C)C[*:1] C[C@H](CC[NH3+])N(C)C(=O)C1(CCCC1)[*:1]
CNC(=O)C[C@@H](C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 CNC(=O)[*:1] [NH3+]C[C@H](C[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
CNC(=O)C[C@@H](C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 CNC(=O)C[*:1] [NH3+]C[C@@H](N1CC[C@@H](C1)[NH+]1CCCC1)[*:1]
C[C@H]1[NH2+]C[C@@H](c2ccccc2C2CC2)O[C@@H]1C C1CC1[*:1] C[C@H]1[NH2+]C[C@H](O[C@@H]1C)c1ccccc1[*:1]
CC(=O)Nc1ccc(Nc2nc(-c3cccs3)cs2)cc1 c1csc(c1)[*:1] CC(=O)Nc1ccc(cc1)Nc1nc(cs1)[*:1]
CC(=O)Nc1ccc(Nc2nc(-c3cccs3)cs2)cc1 CC(=O)N[*:1] c1csc(c1)-c1csc(n1)Nc1ccc(cc1)[*:1]
C[C@H]1C[C@@H]1[C@H](O)[C@@H]1CCOC2(CCC2)C1 C[C@H]1C[C@H]1[*:1] O[C@H]([C@@H]1CCOC2(CCC2)C1)[*:1]
Cc1ccc(-c2nc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)co2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C([C@H]1CCCO1)N1CCN(CC1)Cc1coc(n1)[*:1]
CCC(CC)[C@@H](NS(=O)(=O)N(C)C)c1cccs1 c1csc(c1)[*:1] CCC(CC)[C@@H](NS(=O)(=O)N(C)C)[*:1]
CCC(CC)[C@@H](NS(=O)(=O)N(C)C)c1cccs1 CCC(CC)[*:1] CN(C)S(=O)(=O)N[C@@H](c1cccs1)[*:1]
CNC(=O)c1oc2ccccc2c1CSC1CCCCC1 CNC(=O)[*:1] c1ccc2c(CSC3CCCCC3)c(oc2c1)[*:1]
CNC(=O)c1oc2ccccc2c1CSC1CCCCC1 C1CCC(CC1)[*:1] CNC(=O)c1oc2ccccc2c1CS[*:1]
CNC(=O)c1oc2ccccc2c1CSC1CCCCC1 C1CCC(CC1)S[*:1] CNC(=O)c1oc2ccccc2c1C[*:1]
C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)C1CCN(CC1)S(C)(=O)=O)[*:1]
Cc1nc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 Cc1nc(no1)[*:1] O=C(NC[*:1])N[C@H](c1cccc(c1)C(F)(F)F)C1CC1
Cc1nc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 FC(F)(F)[*:1] Cc1nc(CNC(=O)N[C@H](c2cccc(c2)[*:1])C2CC2)no1
Cc1nc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 Cc1nc(C[*:1])no1 O=C(N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)N[*:1]
Cc1nc(CNC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 C1CC1[*:1] Cc1nc(CNC(=O)N[C@H](c2cccc(c2)C(F)(F)F)[*:1])no1
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccnc2C)c1C Cc1ncccc1[*:1] Cc1cc(cc(c1C)S(=O)(=O)[N-][*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccnc2C)c1C O=[N+]([O-])[*:1] Cc1cc(cc(c1C)S(=O)(=O)[N-]c1cccnc1C)[*:1]
CCOc1ccccc1O[C@H]1CCC[C@H]1NC(=O)c1ccc(OC)nc1 COc1ccc(cn1)[*:1] CCOc1ccccc1O[C@H]1CCC[C@H]1NC(=O)[*:1]
CCOc1ccccc1O[C@H]1CCC[C@H]1NC(=O)c1ccc(OC)nc1 CCO[*:1] COc1ccc(cn1)C(=O)N[C@@H]1CCC[C@@H]1Oc1ccccc1[*:1]
c1csc([C@H]2CN(Cc3cnc[nH]3)CCO2)n1 c1ncc([nH]1)[*:1] c1csc(n1)[C@H]1CN(CCO1)C[*:1]
c1csc([C@H]2CN(Cc3cnc[nH]3)CCO2)n1 c1csc(n1)[*:1] c1ncc(CN2CCO[C@H](C2)[*:1])[nH]1
COc1ccc2s/c(=N\C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)n(CCSC)c2c1 CSCC[*:1] COc1ccc2s/c(=N\C(=O)[C@H]3CCCN(C3)S(C)(=O)=O)n(c2c1)[*:1]
COc1ccc2s/c(=N\C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)n(CCSC)c2c1 CSC[*:1] COc1ccc2s/c(=N\C(=O)[C@H]3CCCN(C3)S(C)(=O)=O)n(C[*:1])c2c1
COCCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1cnccn1)C2 COC[*:1] O=C(c1cnccn1)N1CCc2cc(ccc2C1)S(=O)(=O)NC[*:1]
COCCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1cnccn1)C2 COCC[*:1] O=C(c1cnccn1)N1CCc2cc(ccc2C1)S(=O)(=O)N[*:1]
COCCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1cnccn1)C2 c1cnc(cn1)[*:1] COCCNS(=O)(=O)c1ccc2CN(CCc2c1)C(=O)[*:1]
COCCNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1cnccn1)C2 COCCNS(=O)(=O)[*:1] O=C(c1cnccn1)N1CCc2cc(ccc2C1)[*:1]
COc1ccccc1NC(=O)c1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 COc1ccccc1[*:1] O=C(N[*:1])c1ccnc(c1)N1CCC(CC1)C(=O)Nc1ccc2OCCOc2c1
COc1ccccc1NC(=O)c1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 c1cc2OCCOc2cc1[*:1] COc1ccccc1NC(=O)c1ccnc(c1)N1CCC(CC1)C(=O)N[*:1]
COc1ccccc1NC(=O)c1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 COc1ccccc1NC(=O)[*:1] O=C(Nc1ccc2OCCOc2c1)C1CCN(CC1)c1cc(ccn1)[*:1]
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)C(C)(C)C CC(C)(C)[*:1] Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)[*:1]
Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)C(C)(C)C ClCC[*:1] Cc1nn(c(C)c1C(=O)NNC(=O)C(C)(C)C)[*:1]
CC1CCN(C(=O)C2CCN(C(=O)CCc3cccc(Cl)c3)CC2)CC1 Clc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)CC[*:1]
CC1CCN(C(=O)C2CCN(C(=O)CCc3cccc(Cl)c3)CC2)CC1 Clc1cccc(c1)C[*:1] CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C[*:1]
O=C1C[C@@H](c2ccsc2)c2cnn(-c3ccc(Br)cc3)c2N1 c1cc(cs1)[*:1] O=C1C[C@@H](c2cnn(-c3ccc(Br)cc3)c2N1)[*:1]
O=C1C[C@@H](c2ccsc2)c2cnn(-c3ccc(Br)cc3)c2N1 Brc1ccc(cc1)[*:1] O=C1C[C@@H](c2ccsc2)c2cnn(c2N1)[*:1]
Cc1ccc(N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1C O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1C)N(C[C@@H]1C=c2ccccc2=[NH+]C1=O)C(=O)[*:1]
Cc1ccc(N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1C Cc1ccc(cc1C)[*:1] O=C1[NH+]=c2ccccc2=C[C@H]1CN(C(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc(N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)N(C[C@@H]1C=c2ccccc2=[NH+]C1=O)C(=O)c1cccc(c1)[*:1]
COc1ccc(-c2ncc(C(=O)Nc3ccsc3)s2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)-c1ncc(s1)C(=O)N[*:1]
C[C@@H]1CN(c2nnnn2Cc2ccc(-c3ccccc3)cc2)CC[C@]1(C)O c1ccc(cc1)[*:1] C[C@@H]1CN(CC[C@]1(C)O)c1nnnn1Cc1ccc(cc1)[*:1]
CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CC(=O)OCC)n(C)c1=O CCOC(=O)C[*:1] CCCn1c(=O)c2c(nc3N(N=C(C)[C@@H](C)n32)[*:1])n(C)c1=O
CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CC(=O)OCC)n(C)c1=O CCOC(=O)[*:1] CCCn1c(=O)c2c(nc3N(C[*:1])N=C(C)[C@@H](C)n32)n(C)c1=O
CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CC(=O)OCC)n(C)c1=O CCC[*:1] CCOC(=O)CN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
CCc1nc([C@@H](C)NC(=O)N(CCC(F)(F)F)C2CCC2)cs1 FC(F)(F)CC[*:1] CCc1nc(cs1)[C@@H](C)NC(=O)N(C1CCC1)[*:1]
CCc1nc([C@@H](C)NC(=O)N(CCC(F)(F)F)C2CCC2)cs1 CCc1nc(cs1)[*:1] C[C@@H](NC(=O)N(CCC(F)(F)F)C1CCC1)[*:1]
CCc1nc([C@@H](C)NC(=O)N(CCC(F)(F)F)C2CCC2)cs1 C1CC(C1)[*:1] CCc1nc(cs1)[C@@H](C)NC(=O)N(CCC(F)(F)F)[*:1]
CCc1nc([C@@H](C)NC(=O)N(CCC(F)(F)F)C2CCC2)cs1 FC(F)(F)C[*:1] CCc1nc(cs1)[C@@H](C)NC(=O)N(C[*:1])C1CCC1
CCc1nc([C@@H](C)NC(=O)N(CCC(F)(F)F)C2CCC2)cs1 FC(F)(F)[*:1] CCc1nc(cs1)[C@@H](C)NC(=O)N(CC[*:1])C1CCC1
CCN1C(=O)/C(=c2\sc3nc(-c4cccnc4)nn3c2=O)c2cc(Br)ccc21 c1cncc(c1)[*:1] CCN1C(=O)/C(c2cc(Br)ccc21)=c1\sc2nc(nn2c1=O)[*:1]
C#CC[C@@]1(C(=O)[O-])CCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C#CC[C@]1(CCCN1C(=O)O[*:1])C(=O)[O-]
C#CC[C@@]1(C(=O)[O-])CCCN1C(=O)OC(C)(C)C O=C([O-])[*:1] C#CC[C@]1(CCCN1C(=O)OC(C)(C)C)[*:1]
C#CC[C@@]1(C(=O)[O-])CCCN1C(=O)OC(C)(C)C C#CC[*:1] CC(C)(C)OC(=O)N1CCC[C@@]1(C(=O)[O-])[*:1]
O=C(NCc1ccc(F)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
O=C(NCc1ccc(F)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1
O=C(NCc1ccc(F)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1
Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)NC[C@H]3CCCO3)n2n1 C1CO[C@H](C1)C[*:1] Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)N[*:1])n2n1
Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)NC[C@H]3CCCO3)n2n1 C1CO[C@H](C1)[*:1] Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)NC[*:1])n2n1
O=S(=O)(NCC1(c2ccccc2)CCOCC1)c1cc(F)cc(F)c1 c1ccc(cc1)[*:1] O=S(=O)(NCC1(CCOCC1)[*:1])c1cc(F)cc(F)c1
O=S(=O)(NCC1(c2ccccc2)CCOCC1)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] O=S(=O)(NCC1(CCOCC1)c1ccccc1)[*:1]
C[C@@H](OC(=O)C(C)(C)c1cccc(Cl)c1)c1ccccn1 Clc1cccc(c1)[*:1] C[C@@H](OC(=O)C(C)(C)[*:1])c1ccccn1
C[C@@H](OC(=O)C(C)(C)c1cccc(Cl)c1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](OC(=O)C(C)(C)c1cccc(Cl)c1)[*:1]
CCCCN1C[C@@H](C(=O)N(CC)CC)CC1=O CCC[*:1] CCN(CC)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CCCCN1C[C@@H](C(=O)N(CC)CC)CC1=O CCCC[*:1] CCN(CC)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1cc(=O)c(C(=O)NCc2ccccc2OCCC(C)C)c[nH]1 CC(C)CCO[*:1] Cc1cc(=O)c(c[nH]1)C(=O)NCc1ccccc1[*:1]
Cc1cc(=O)c(C(=O)NCc2ccccc2OCCC(C)C)c[nH]1 CC(C)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)NCc1ccccc1OCC[*:1]
Cc1cc(=O)c(C(=O)NCc2ccccc2OCCC(C)C)c[nH]1 CC(C)CC[*:1] Cc1cc(=O)c(c[nH]1)C(=O)NCc1ccccc1O[*:1]
Cc1cc(=O)c(C(=O)NCc2ccccc2OCCC(C)C)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] CC(C)CCOc1ccccc1CNC(=O)[*:1]
Cc1cc(=O)c(C(=O)NCc2ccccc2OCCC(C)C)c[nH]1 CC(C)C[*:1] Cc1cc(=O)c(c[nH]1)C(=O)NCc1ccccc1OC[*:1]
CC(=O)[C@H](NC(=O)CSCc1ccccc1)C(C)C CC(C)[*:1] CC(=O)[C@H](NC(=O)CSCc1ccccc1)[*:1]
CC(=O)[C@H](NC(=O)CSCc1ccccc1)C(C)C CC(=O)[*:1] CC(C)[C@@H](NC(=O)CSCc1ccccc1)[*:1]
CC(=O)[C@H](NC(=O)CSCc1ccccc1)C(C)C c1ccc(cc1)[*:1] CC(=O)[C@H](NC(=O)CSC[*:1])C(C)C
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 CSCC[*:1] C[C@@]1(CCS(=O)(=O)C1)NC(=O)[C@H](NC(=O)c1ccccc1Cl)[*:1]
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 Clc1ccccc1[*:1] CSCC[C@@H](NC(=O)[*:1])C(=O)N[C@@]1(C)CCS(=O)(=O)C1
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 CSC[*:1] C[C@@]1(CCS(=O)(=O)C1)NC(=O)[C@@H](C[*:1])NC(=O)c1ccccc1Cl
COc1ccc(CCN(C)C(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)CCN(C)C(=O)c1nn(c(C)cc1=O)[*:1]
COc1ccc(CCN(C)C(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(=O)c(nn1-c1ccccc1Cl)C(=O)N(C)CC[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)c1ccccc1Cl O=C(N[*:1])c1ccco1 CC(C)[C@H](C(=O)NC[C@@H](O)c1ccccc1Cl)[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)c1ccccc1Cl c1coc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NC[C@@H](O)c1ccccc1Cl
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](O)c1ccccc1Cl CC(C)[*:1] O=C(N[C@H](C(=O)NC[C@@H](O)c1ccccc1Cl)[*:1])c1ccco1
O=c1cc(C2CCC2)ncn1Cc1cc(=O)n2ccsc2[nH+]1 C1CC(C1)[*:1] O=c1cc(ncn1Cc1cc(=O)n2ccsc2[nH+]1)[*:1]
COc1ccccc1[C@H](CNC(=O)N(C)[C@H](C)c1ccccc1)[NH+](C)C C[C@H](c1ccccc1)[*:1] COc1ccccc1[C@H](CNC(=O)N(C)[*:1])[NH+](C)C
COc1ccccc1[C@H](CNC(=O)N(C)[C@H](C)c1ccccc1)[NH+](C)C COc1ccccc1[*:1] C[C@H](c1ccccc1)N(C)C(=O)NC[C@H]([NH+](C)C)[*:1]
COc1ccccc1[C@H](CNC(=O)N(C)[C@H](C)c1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] COc1ccccc1[C@H](CNC(=O)N(C)[C@H](C)[*:1])[NH+](C)C
Fc1cccc(NCc2noc([C@H]3COc4ccccc4O3)n2)c1 Fc1cccc(c1)N[*:1] c1ccc2O[C@H](COc2c1)c1nc(C[*:1])no1
Fc1cccc(NCc2noc([C@H]3COc4ccccc4O3)n2)c1 Fc1cccc(c1)[*:1] c1ccc2O[C@H](COc2c1)c1nc(CN[*:1])no1
CC[NH+](CC)CCN(C(=O)c1ccc(F)cc1O)[C@@H]1CCS(=O)(=O)C1 Oc1cc(F)ccc1[*:1] CC[NH+](CC)CCN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
CC[NH+](CC)CCN(C(=O)c1ccc(F)cc1O)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC[NH+](CC)CCN(C(=O)c1ccc(F)cc1O)[*:1]
CC(C)Cn1c([C@@H](O)[C@@H](O)C(=O)[O-])nc2cc(Cl)ccc21 O=C([O-])[*:1] CC(C)Cn1c(nc2cc(Cl)ccc21)[C@@H](O)[C@@H](O)[*:1]
CC(C)Cn1c([C@@H](O)[C@@H](O)C(=O)[O-])nc2cc(Cl)ccc21 CC(C)[*:1] O=C([O-])[C@H](O)[C@H](O)c1nc2cc(Cl)ccc2n1C[*:1]
CC(C)Cn1c([C@@H](O)[C@@H](O)C(=O)[O-])nc2cc(Cl)ccc21 CC(C)C[*:1] O=C([O-])[C@H](O)[C@H](O)c1nc2cc(Cl)ccc2n1[*:1]
COC[C@H](C)N1CCN(C(=O)c2cnc(-c3ccsc3)s2)CC1 COC[C@H](C)[*:1] O=C(c1cnc(s1)-c1ccsc1)N1CCN(CC1)[*:1]
COC[C@H](C)N1CCN(C(=O)c2cnc(-c3ccsc3)s2)CC1 COC[*:1] C[C@H](N1CCN(CC1)C(=O)c1cnc(s1)-c1ccsc1)[*:1]
COC[C@H](C)N1CCN(C(=O)c2cnc(-c3ccsc3)s2)CC1 c1cc(cs1)[*:1] COC[C@H](C)N1CCN(CC1)C(=O)c1cnc(s1)[*:1]
O=C(CCOC1CCOCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 C1CC(CCO1)O[*:1] O=C(CC[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
O=C(CCOC1CCOCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 C1CC(CCO1)[*:1] O=C(CCO[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
O=C(CCOC1CCOCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(CCOC1CCOCC1)N[C@@H]1CCC[C@H](C1)[*:1]
CN(CC(C)(C)O)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CN(CC(C)(C)O)C(=O)c1cn(nc1[*:1])-c1ccccc1
CN(CC(C)(C)O)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CN(CC(C)(C)O)C(=O)c1cn(nc1-c1ccccc1)[*:1]
CN(CC(C)(C)O)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 CC(C)(O)C[*:1] CN(C(=O)c1cn(nc1-c1ccccc1)-c1ccccc1)[*:1]
CN(CC(C)(C)O)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 CC(C)(O)[*:1] CN(C[*:1])C(=O)c1cn(nc1-c1ccccc1)-c1ccccc1
Cn1nccc1[C@H]1CCCN(Cc2nc(-c3ccccn3)no2)C1 c1ccc(nc1)[*:1] Cn1nccc1[C@H]1CCCN(Cc2nc(no2)[*:1])C1
Cn1nccc1[C@H]1CCCN(Cc2nc(-c3ccccn3)no2)C1 Cn1nccc1[*:1] c1ccc(nc1)-c1noc(CN2CCC[C@@H](C2)[*:1])n1
CC(=O)NCCNc1cc(C)[nH+]c(N2CCCCC2)n1 CC(=O)NC[*:1] Cc1cc(nc([nH+]1)N1CCCCC1)NC[*:1]
CC(=O)NCCNc1cc(C)[nH+]c(N2CCCCC2)n1 C1CCN(CC1)[*:1] CC(=O)NCCNc1cc(C)[nH+]c(n1)[*:1]
CC(=O)NCCNc1cc(C)[nH+]c(N2CCCCC2)n1 CC(=O)N[*:1] Cc1cc(nc([nH+]1)N1CCCCC1)NCC[*:1]
CC(=O)NCCNc1cc(C)[nH+]c(N2CCCCC2)n1 CC(=O)NCC[*:1] Cc1cc(nc([nH+]1)N1CCCCC1)N[*:1]
Cc1n[nH]c2c1[C@H](Cc1ccccc1)C(C#N)=C(N)O2 c1ccc(cc1)[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@@H](C[*:1])c12
C[C@H](NC(=O)CSCC#N)c1ccc(F)cc1F N#CCSC[*:1] C[C@H](NC(=O)[*:1])c1ccc(F)cc1F
C[C@H](NC(=O)CSCC#N)c1ccc(F)cc1F N#CCS[*:1] C[C@H](NC(=O)C[*:1])c1ccc(F)cc1F
C[C@H](NC(=O)CSCC#N)c1ccc(F)cc1F N#CC[*:1] C[C@H](NC(=O)CS[*:1])c1ccc(F)cc1F
C#CCn1/c(=N/C(=O)C2CC2)sc2c(C)cc(C)cc21 C#CC[*:1] Cc1cc(C)c2s/c(=N\C(=O)C3CC3)n(c2c1)[*:1]
C#CCn1/c(=N/C(=O)C2CC2)sc2c(C)cc(C)cc21 C1CC1[*:1] C#CCn1/c(=N/C(=O)[*:1])sc2c(C)cc(C)cc21
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cccs1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)N1CCN(CC1)[C@H]1CCS(=O)(=O)C1)[*:1])c1cccs1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cccs1 c1csc(c1)[*:1] O=C([C@H](Cc1ccccc1)NC(=O)[*:1])N1CCN(CC1)[C@H]1CCS(=O)(=O)C1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cccs1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)N1CCN(CC1)[C@H]1CCS(=O)(=O)C1)c1cccs1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cccs1 O=C(N[*:1])c1cccs1 O=C([C@H](Cc1ccccc1)[*:1])N1CCN(CC1)[C@H]1CCS(=O)(=O)C1
CCn1c(SCC(=O)N2N=CC[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N1N=CC[C@H]1c1ccccc1
CCn1c(SCC(=O)N2N=CC[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CCn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)N1N=CC[C@@H]1[*:1]
COC(=O)c1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1 COC(=O)[*:1] C[C@@H](NC(=O)/C=C/c1ccc(cc1)[*:1])c1ccccc1
COC(=O)c1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(/C=C/C(=O)N[C@H](C)[*:1])cc1
Cc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(NC(=O)CC(C)C)cc3)CC1)c1cccn1-2 CC(C)C[*:1] Cc1ccc2c(c1)NC1(CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1])c1cccn1-2
Cc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(NC(=O)CC(C)C)cc3)CC1)c1cccn1-2 CC(C)[*:1] Cc1ccc2c(c1)NC1(CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1])c1cccn1-2
Cc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(NC(=O)CC(C)C)cc3)CC1)c1cccn1-2 CC(C)CC(=O)N[*:1] Cc1ccc2c(c1)NC1(CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1])c1cccn1-2
COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc(C)cc3)[C@@H]1CC2 Cc1ccc(cc1)[*:1] COc1ccc2CC[C@@H]3C(=NN(C(C)=O)[C@@H]3[*:1])c2c1
CC(C)Oc1ccc(C(=O)NC[C@@H](C)N2CCOCC2)cn1 CC(C)[*:1] C[C@H](CNC(=O)c1ccc(nc1)O[*:1])N1CCOCC1
CC(C)Oc1ccc(C(=O)NC[C@@H](C)N2CCOCC2)cn1 C1CN(CCO1)[*:1] CC(C)Oc1ccc(cn1)C(=O)NC[C@@H](C)[*:1]
CC(C)Oc1ccc(C(=O)NC[C@@H](C)N2CCOCC2)cn1 CC(C)O[*:1] C[C@H](CNC(=O)c1ccc(nc1)[*:1])N1CCOCC1
O=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F Fc1ccc(cc1Cl)[*:1] O=C(N[*:1])c1cc(ccc1F)S(=O)(=O)N1CCc2ccccc21
COc1cc(-n2cc(C(=O)Nc3cnn(C)c3)c3ccccc3c2=O)cc(OC)c1OC Cn1cc(cn1)NC(=O)[*:1] COc1cc(cc(OC)c1OC)-n1cc(c2ccccc2c1=O)[*:1]
COc1cc(-n2cc(C(=O)Nc3cnn(C)c3)c3ccccc3c2=O)cc(OC)c1OC Cn1cc(cn1)[*:1] COc1cc(cc(OC)c1OC)-n1cc(C(=O)N[*:1])c2ccccc2c1=O
C[C@H]1OCC[C@H]1C(=O)Nc1ccsc1C(=O)[O-] O=C([O-])[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1ccsc1[*:1]
COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@H]1C1CCCC1 C1CCC(C1)[*:1] COc1ccc(cc1NC(=O)N1CCC[C@@H]1[*:1])C(=O)N(C)C
COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@H]1C1CCCC1 CN(C)C(=O)[*:1] COc1ccc(cc1NC(=O)N1CCC[C@H]1C1CCCC1)[*:1]
CN(C(=CC=O)N(C)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=CC=O)N(C)[*:1])c1ccccc1
CC(C)[C@@H](O)CCNC(=O)NCc1cccc2ccccc12 CC(C)[*:1] O=C(NCC[C@H](O)[*:1])NCc1cccc2ccccc12
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NNc1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NN[*:1]
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NNc1ccccc1 O=C([O-])[*:1] O=C(NNc1ccccc1)[C@H]1CC=CC[C@@H]1[*:1]
COc1cc2s/c(=N/C(=O)c3ccn(C)n3)n(C)c2cc1OC Cn1ccc(n1)[*:1] COc1cc2s/c(=N/C(=O)[*:1])n(C)c2cc1OC
Cc1ccc(CCC(=O)Nc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 Cc1ccc(cc1)CC[*:1] O=C1c2ccc(cc2C(=O)N1C[C@H]1CCCO1)NC(=O)[*:1]
Cc1ccc(CCC(=O)Nc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 Cc1ccc(cc1)[*:1] O=C(CC[*:1])Nc1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
Cc1ccc(CCC(=O)Nc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 Cc1ccc(cc1)C[*:1] O=C(C[*:1])Nc1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
O=C1C[C@H](C(=O)Nc2ccccc2F)NC(N2CCN(c3ccc(F)cc3)CC2)=N1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](NC(=N1)N1CCN(CC1)[*:1])C(=O)Nc1ccccc1F
O=C1C[C@H](C(=O)Nc2ccccc2F)NC(N2CCN(c3ccc(F)cc3)CC2)=N1 Fc1ccccc1[*:1] O=C1C[C@@H](NC(=N1)N1CCN(CC1)c1ccc(F)cc1)C(=O)N[*:1]
O=C1C[C@H](C(=O)Nc2ccccc2F)NC(N2CCN(c3ccc(F)cc3)CC2)=N1 O=C(Nc1ccccc1F)[*:1] O=C1C[C@H](NC(=N1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
O=S(=O)(c1cccc(F)c1)N1CCc2sccc2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(c1cccc(F)c1)N1CCc2sccc2[C@H]1[*:1]
O=S(=O)(c1cccc(F)c1)N1CCc2sccc2[C@@H]1c1ccccc1 Fc1cccc(c1)[*:1] O=S(=O)(N1CCc2sccc2[C@@H]1c1ccccc1)[*:1]
O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 Clc1cccc(c1)[*:1] O=C(c1cnn(c1C(F)(F)F)[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 FC(F)(F)[*:1] O=C(c1cnn(-c2cccc(Cl)c2)c1[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CCc2ccc(cc21)[*:1]
C#CC[C@H](C)OC(=O)CCOc1ccc(C)cc1C C#CC[*:1] Cc1ccc(OCCC(=O)O[C@@H](C)[*:1])c(C)c1
Cc1cccc(C[S@](=O)[C@@H](C)c2nc(-c3ccccc3)no2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C[S@](=O)[C@@H](C)c1nc(no1)[*:1]
Cc1cccc(C[S@](=O)[C@@H](C)c2nc(-c3ccccc3)no2)c1 Cc1cccc(c1)[*:1] C[C@@H](c1nc(no1)-c1ccccc1)[S@@](=O)C[*:1]
Cc1ccc(=O)n(CC(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)n1 Cc1ccc(=O)n(n1)[*:1] CC1(C)CC[C@@H](CNC(=O)C[*:1])c2ccccc21
Cc1cnc(C(=O)NCCCO[C@H](C)c2ccccc2)cn1 Cc1cnc(cn1)[*:1] C[C@@H](OCCCNC(=O)[*:1])c1ccccc1
Cc1cnc(C(=O)NCCCO[C@H](C)c2ccccc2)cn1 c1ccc(cc1)[*:1] Cc1cnc(cn1)C(=O)NCCCO[C@H](C)[*:1]
Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NC(N)=O)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)NC(N)=O
Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NC(N)=O)n2)cc1 NC(=O)NC(=O)[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)S[C@H](C)[*:1]
COc1cccc(C(N)=O)c1OCC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 NC(=O)[*:1] COc1cccc(c1OCC(=O)N1CCN(CC1)[C@@H](C)c1ccccc1)[*:1]
COc1cccc(C(N)=O)c1OCC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 C[C@@H](c1ccccc1)[*:1] COc1cccc(C(N)=O)c1OCC(=O)N1CCN(CC1)[*:1]
COc1cccc(C(N)=O)c1OCC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1cccc(C(N)=O)c1OCC(=O)N1CCN(CC1)[C@@H](C)[*:1]
NC(=O)Cc1nc2ccccc2n1C[C@@H](O)COc1cccc2ccccc12 NC(=O)C[*:1] O[C@@H](COc1cccc2ccccc12)Cn1c(nc2ccccc21)[*:1]
NC(=O)Cc1nc2ccccc2n1C[C@@H](O)COc1cccc2ccccc12 NC(=O)[*:1] O[C@@H](COc1cccc2ccccc12)Cn1c(C[*:1])nc2ccccc21
CC[NH+](CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC[NH+](CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(cc1)[*:1]
CC[NH+](CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC[NH+](CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1[*:1]
COC[C@@H]1CN(C(=O)C(=O)Nc2c(C)cc(C)cc2C)CCO1 COC[*:1] Cc1cc(C)c(NC(=O)C(=O)N2CCO[C@@H](C2)[*:1])c(C)c1
CCC[C@H]1C[C@@H]1NC(=O)c1sc(-c2nc[nH]n2)nc1C c1nc(n[nH]1)[*:1] CCC[C@H]1C[C@@H]1NC(=O)c1sc(nc1C)[*:1]
CCC[C@H]1C[C@@H]1NC(=O)c1sc(-c2nc[nH]n2)nc1C CCC[C@H]1C[C@H]1[*:1] Cc1nc(sc1C(=O)N[*:1])-c1nc[nH]n1
CCC[C@H]1C[C@@H]1NC(=O)c1sc(-c2nc[nH]n2)nc1C CCC[*:1] Cc1nc(sc1C(=O)N[C@H]1C[C@@H]1[*:1])-c1nc[nH]n1
COC[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(N)=O c1ccc(cc1)[*:1] COC[C@H](NC(=O)c1nc(n(n1)-c1ccccc1)[*:1])C(N)=O
COC[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(N)=O COC[*:1] NC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n(n1)-c1ccccc1)[*:1]
COC[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)c1nc(-c2ccccc2)n(n1)-c1ccccc1)[*:1]
COC[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(N)=O c1ccc(cc1)[*:1] COC[C@H](NC(=O)c1nc(-c2ccccc2)n(n1)[*:1])C(N)=O
CC(=O)C(c1ccccc1)c1ccccc1 CC(=O)[*:1] c1ccc(cc1)C(c1ccccc1)[*:1]
CN(CCOc1ccccc1)Cc1cc(=O)oc2cc3c(cc12)CCC3 c1ccc(cc1)OC[*:1] CN(Cc1cc(=O)oc2cc3CCCc3cc12)C[*:1]
CN(CCOc1ccccc1)Cc1cc(=O)oc2cc3c(cc12)CCC3 c1ccc(cc1)O[*:1] CN(CC[*:1])Cc1cc(=O)oc2cc3CCCc3cc12
CN(CCOc1ccccc1)Cc1cc(=O)oc2cc3c(cc12)CCC3 c1ccc(cc1)[*:1] CN(CCO[*:1])Cc1cc(=O)oc2cc3CCCc3cc12
CC(C)(C)C(=O)C[C@H]1CCO[C@]2(CCSC2)C1 CC(C)(C)[*:1] O=C(C[C@H]1CCO[C@]2(CCSC2)C1)[*:1]
CC(=O)c1ccc(SCC(=O)NCc2ccc(Cl)nc2)c(F)c1 Clc1ccc(cn1)[*:1] CC(=O)c1ccc(SCC(=O)NC[*:1])c(F)c1
CC(=O)c1ccc(SCC(=O)NCc2ccc(Cl)nc2)c(F)c1 CC(=O)[*:1] O=C(CSc1ccc(cc1F)[*:1])NCc1ccc(Cl)nc1
CC/C(N)=N/OCc1ccc(OC(F)F)cc1 FC(F)[*:1] CC/C(N)=N/OCc1ccc(cc1)O[*:1]
CC/C(N)=N/OCc1ccc(OC(F)F)cc1 FC(F)O[*:1] CC/C(N)=N/OCc1ccc(cc1)[*:1]
C[C@@H](NC(=O)NCCO)c1cc2ccccc2o1 OCC[*:1] C[C@@H](NC(=O)N[*:1])c1cc2ccccc2o1
CCn1nc(C(=O)NCCc2ccc(C)o2)c(=O)c2cc(F)ccc21 Cc1ccc(C[*:1])o1 CCn1nc(C(=O)NC[*:1])c(=O)c2cc(F)ccc21
CCn1nc(C(=O)NCCc2ccc(C)o2)c(=O)c2cc(F)ccc21 Cc1ccc(o1)[*:1] CCn1nc(C(=O)NCC[*:1])c(=O)c2cc(F)ccc21
CCn1nc(C(=O)NCCc2ccc(C)o2)c(=O)c2cc(F)ccc21 Cc1ccc(CC[*:1])o1 CCn1nc(C(=O)N[*:1])c(=O)c2cc(F)ccc21
Cc1cc([N+](=O)[O-])ccc1NC(=O)NCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)NCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)[*:1]
CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)[C@H]3CCCO3)cc2)CC1 C1CO[C@H](C1)[*:1] CC[NH+]1CCN(CC1)Cc1ccc(cc1)NC(=O)C(=O)N[C@@H](C)[*:1]
COc1cccc(OC[C@@H]2CCCN(C(=O)c3cnn4cc(C)cnc34)C2)c1 COc1cccc(c1)[*:1] Cc1cnc2c(cnn2c1)C(=O)N1CCC[C@@H](CO[*:1])C1
COc1cccc(OC[C@@H]2CCCN(C(=O)c3cnn4cc(C)cnc34)C2)c1 COc1cccc(c1)O[*:1] Cc1cnc2c(cnn2c1)C(=O)N1CCC[C@H](C1)C[*:1]
CCc1nn2c(=O)cc(CNc3ccccc3Cl)nc2s1 Clc1ccccc1[*:1] CCc1nn2c(=O)cc(CN[*:1])nc2s1
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(C)CCc2ccccn2)C1 c1ccc(C[*:1])nc1 CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N(C)C[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(C)CCc2ccccn2)C1 c1ccc(nc1)[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N(C)CC[*:1]
CC(C)C[C@H]1NC(=O)OC1(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@H]1NC(=O)OC1(c1ccccc1)[*:1]
CC(C)C[C@H]1NC(=O)OC1(c1ccccc1)c1ccccc1 CC(C)C[*:1] O=C1N[C@@H](C(O1)(c1ccccc1)c1ccccc1)[*:1]
CC(C)C[C@H]1NC(=O)OC1(c1ccccc1)c1ccccc1 CC(C)[*:1] O=C1N[C@H](C[*:1])C(O1)(c1ccccc1)c1ccccc1
CC(C)CC[C@@H]1CCC[C@@H]1Nc1ccc2nnnn2n1 CC(C)C[*:1] c1cc2nnnn2nc1N[C@H]1CCC[C@H]1C[*:1]
CC(C)CC[C@@H]1CCC[C@@H]1Nc1ccc2nnnn2n1 CC(C)CC[*:1] c1cc2nnnn2nc1N[C@H]1CCC[C@H]1[*:1]
CC(C)CC[C@@H]1CCC[C@@H]1Nc1ccc2nnnn2n1 CC(C)[*:1] c1cc2nnnn2nc1N[C@H]1CCC[C@H]1CC[*:1]
Cc1cc(=O)[nH]cc1C(=O)NCCC1CCN(c2cc[nH+]cc2)CC1 Cc1cc(=O)[nH]cc1[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2C(N)=O)c(Cl)c1 NC(=O)[*:1] CC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2C(N)=O)c(Cl)c1 CC(=O)N[*:1] NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1Cl)[*:1]
CS(=O)(=O)N1CCc2c(nc([C@H]3CCN(C(=O)CCC4CCCC4)C3)[nH]c2=O)C1 C1CCC(C1)C[*:1] CS(=O)(=O)N1CCc2c(C1)nc([nH]c2=O)[C@H]1CCN(C1)C(=O)C[*:1]
CS(=O)(=O)N1CCc2c(nc([C@H]3CCN(C(=O)CCC4CCCC4)C3)[nH]c2=O)C1 C1CCC(C1)CC[*:1] CS(=O)(=O)N1CCc2c(C1)nc([nH]c2=O)[C@H]1CCN(C1)C(=O)[*:1]
CS(=O)(=O)N1CCc2c(nc([C@H]3CCN(C(=O)CCC4CCCC4)C3)[nH]c2=O)C1 C1CCC(C1)[*:1] CS(=O)(=O)N1CCc2c(C1)nc([nH]c2=O)[C@H]1CCN(C1)C(=O)CC[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)c2)no1 Cc1nc(no1)[*:1] O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C1)S(=O)(=O)c1cc(cs1)[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)c2)no1 Clc1ccc(nc1)[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)c2)no1 O=C(Nc1ccc(Cl)cn1)[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
CC(C)Oc1ccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1 CC(C)[*:1] c1cc(ccc1C[NH2+][C@H]1CCN2CCCC[C@H]12)O[*:1]
CC(C)Oc1ccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1 CC(C)O[*:1] c1cc(ccc1C[NH2+][C@H]1CCN2CCCC[C@H]12)[*:1]
[NH3+]C[C@H]1CCC[C@H]1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] [NH3+]C[C@H]1CCC[C@H]1Oc1cc(Cl)c(Cl)cc1[*:1]
CCCc1cc(NC(=O)C(=O)N(C)Cc2nccs2)n(C)n1 CCC[*:1] CN(Cc1nccs1)C(=O)C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)C(=O)N(C)Cc2nccs2)n(C)n1 c1csc(C[*:1])n1 CCCc1cc(NC(=O)C(=O)N(C)[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N(C)Cc2nccs2)n(C)n1 c1csc(n1)[*:1] CCCc1cc(NC(=O)C(=O)N(C)C[*:1])n(C)n1
C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cn(C)nc1-c1ccccc1 O=C(N[*:1])c1ccco1 C[C@@H](C(=O)Nc1cn(C)nc1-c1ccccc1)[*:1]
C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cn(C)nc1[*:1]
C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cn(C)nc1-c1ccccc1 c1coc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1cn(C)nc1-c1ccccc1
Cc1cnc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cn1 O=[N+]([O-])c1ccc(c(Br)c1)[*:1] Cc1cnc(cn1)C(=O)O[C@H](C(=O)N[*:1])c1ccccc1
Cc1cnc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cn1 O=[N+]([O-])[*:1] Cc1cnc(cn1)C(=O)O[C@H](C(=O)Nc1ccc(cc1Br)[*:1])c1ccccc1
Cc1cnc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cn1 Cc1cnc(cn1)C(=O)O[*:1] O=C(Nc1ccc(cc1Br)[N+](=O)[O-])[C@H](c1ccccc1)[*:1]
Cc1cnc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cn1 Cc1cnc(cn1)[*:1] O=C(Nc1ccc(cc1Br)[N+](=O)[O-])[C@@H](OC(=O)[*:1])c1ccccc1
Cc1cnc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cn1 c1ccc(cc1)[*:1] Cc1cnc(cn1)C(=O)O[C@H](C(=O)Nc1ccc(cc1Br)[N+](=O)[O-])[*:1]
CCOc1cccc([C@H]2C(C#N)=C(N)O[C@@H]3N=NC(C)=C32)c1O CCO[*:1] CC1N=N[C@H]2OC(N)=C(C#N)[C@@H](C=12)c1cccc(c1O)[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(N2CCOC2=O)cc1 CCCC[*:1] O=C(Nc1ccc(cc1)N1CCOC1=O)N[C@H]1CCC[C@@H]1[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(cc1)[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(N2CCOC2=O)cc1 CCC[*:1] O=C(Nc1ccc(cc1)N1CCOC1=O)N[C@H]1CCC[C@@H]1C[*:1]
C=CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 C=CC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1
C=CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C=CCNC(=O)C1CCN(CC1)C(=O)[*:1]
C=CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 C=CCNC(=O)[*:1] O=C(c1ccc(F)cc1)N1CCC(CC1)[*:1]
O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1(CCC1)[*:1]
CC(C)C1(Cc2cccc(F)c2F)C[NH2+]C1 CC(C)[*:1] Fc1cccc(CC2(C[NH2+]C2)[*:1])c1F
O=[N+]([O-])c1ccc([C@@H](O)CNc2cnc3ccccc3n2)cc1 O=[N+]([O-])[*:1] O[C@@H](CNc1cnc2ccccc2n1)c1ccc(cc1)[*:1]
CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc(CC(N)=S)cc1 NC(=S)[*:1] CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)C[*:1]
CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc(CC(N)=S)cc1 NC(=S)C[*:1] CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc(CC(N)=S)cc1 CC(C)[*:1] NC(=S)Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1[*:1]
COc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)n1 COc1cccc(n1)[*:1] CC(=O)Nc1ccc(NC(=O)[*:1])c(c1)C(F)(F)F
COc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)n1 FC(F)(F)[*:1] COc1cccc(n1)C(=O)Nc1ccc(cc1[*:1])NC(C)=O
COc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)n1 CC(=O)N[*:1] COc1cccc(n1)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
CCN(CC)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(CC)c1ccc(cc1[*:1])[C@H]1C(C#N)=C(N)OC2CC(C)(C)CC(=O)C=21
CCN(CC)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] CCN(CC)[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[C@H]1C[C@H](Nc2nc3ccccc3o2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](Nc2nc3ccccc3o2)C(=O)N1[*:1]
CC(=O)n1cc2c3c(cccc31)C(=O)C[C@@H]2C(=O)[O-] O=C([O-])[*:1] CC(=O)n1cc2c3c(cccc31)C(=O)C[C@H]2[*:1]
Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1cnn(CC2CC2)c1 C1CC1[*:1] Cc1c(Br)c(nn1[C@@H](C)C(=O)Nc1cnn(c1)C[*:1])C(F)(F)F
Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1cnn(CC2CC2)c1 C1CC1C[*:1] Cc1c(Br)c(nn1[C@@H](C)C(=O)Nc1cnn(c1)[*:1])C(F)(F)F
Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1cnn(CC2CC2)c1 FC(F)(F)[*:1] Cc1c(Br)c(nn1[C@@H](C)C(=O)Nc1cnn(c1)CC1CC1)[*:1]
Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 c1ccc(cc1)[*:1] Cc1oc(nc1CC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)s1 CN(C)C(=O)[*:1] Cc1nc(C)c(s1)[C@@H](C)N(C)C(=O)Nc1ccc(c(C)c1)[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)s1 Cc1nc(C)c(s1)[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)N(C)[C@H](C)[*:1]
Cc1c([C@@H](C)NC(=O)Cc2cccc(OCC#N)c2)oc2ccccc12 N#CC[*:1] Cc1c(oc2ccccc12)[C@@H](C)NC(=O)Cc1cccc(c1)O[*:1]
Cc1c([C@@H](C)NC(=O)Cc2cccc(OCC#N)c2)oc2ccccc12 N#CCO[*:1] Cc1c(oc2ccccc12)[C@@H](C)NC(=O)Cc1cccc(c1)[*:1]
Cc1ccnc(-n2nc(-c3ccc(F)cc3)c(C#N)c2N)c1 Cc1ccnc(c1)[*:1] N#Cc1c(nn(c1N)[*:1])-c1ccc(F)cc1
Cc1ccnc(-n2nc(-c3ccc(F)cc3)c(C#N)c2N)c1 Fc1ccc(cc1)[*:1] Cc1ccnc(c1)-n1nc(c(C#N)c1N)[*:1]
CC(C)C[C@H](CCO)CNS(N)(=O)=O CC(C)C[*:1] NS(=O)(=O)NC[C@@H](CCO)[*:1]
CC(C)C[C@H](CCO)CNS(N)(=O)=O OCC[*:1] CC(C)C[C@H](CNS(N)(=O)=O)[*:1]
CC(C)C[C@H](CCO)CNS(N)(=O)=O CC(C)[*:1] NS(=O)(=O)NC[C@@H](CCO)C[*:1]
Cc1ccc([C@@H](C)C(=O)N2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCC(CC1)n1c(=O)oc2ccc(Cl)cc21)[*:1]
Cc1ccc([C@@H](C)C(=O)N2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1 Cc1ccc(cc1)[C@@H](C)[*:1] O=C(N1CCC(CC1)n1c(=O)oc2ccc(Cl)cc21)[*:1]
CC(=O)[C@@H](CC(=O)c1c([O-])n(-c2ccccc2)c2ccccc2c1=O)Sc1nnc(N)s1 CC(=O)[*:1] Nc1nnc(S[C@H](CC(=O)c2c([O-])n(-c3ccccc3)c3ccccc3c2=O)[*:1])s1
CC(=O)[C@@H](CC(=O)c1c([O-])n(-c2ccccc2)c2ccccc2c1=O)Sc1nnc(N)s1 Nc1nnc(S[*:1])s1 CC(=O)[C@@H](CC(=O)c1c([O-])n(-c2ccccc2)c2ccccc2c1=O)[*:1]
CC(=O)[C@@H](CC(=O)c1c([O-])n(-c2ccccc2)c2ccccc2c1=O)Sc1nnc(N)s1 c1ccc(cc1)[*:1] CC(=O)[C@@H](CC(=O)c1c([O-])n(c2ccccc2c1=O)[*:1])Sc1nnc(N)s1
CC(=O)[C@@H](CC(=O)c1c([O-])n(-c2ccccc2)c2ccccc2c1=O)Sc1nnc(N)s1 Nc1nnc(s1)[*:1] CC(=O)[C@@H](CC(=O)c1c([O-])n(-c2ccccc2)c2ccccc2c1=O)S[*:1]
Cc1cc(C[S@@](=O)CC(=O)N(C)Cc2cccs2)on1 c1csc(c1)[*:1] Cc1cc(C[S@@](=O)CC(=O)N(C)C[*:1])on1
Cc1cc(C[S@@](=O)CC(=O)N(C)Cc2cccs2)on1 c1csc(c1)C[*:1] Cc1cc(C[S@@](=O)CC(=O)N(C)[*:1])on1
Cc1cc(C[S@@](=O)CC(=O)N(C)Cc2cccs2)on1 Cc1cc(on1)[*:1] CN(Cc1cccs1)C(=O)C[S@](=O)C[*:1]
COCCOCCNc1nc2ccc(N)cc2o1 COC[*:1] Nc1ccc2nc(NCCOC[*:1])oc2c1
COCCOCCNc1nc2ccc(N)cc2o1 COCCOC[*:1] Nc1ccc2nc(NC[*:1])oc2c1
COCCOCCNc1nc2ccc(N)cc2o1 COCCO[*:1] Nc1ccc2nc(NCC[*:1])oc2c1
COCCOCCNc1nc2ccc(N)cc2o1 COCC[*:1] Nc1ccc2nc(NCCO[*:1])oc2c1
Cc1ccc(CC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cn1 Cc1ccc(cn1)[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)NC(=O)C[*:1]
Cc1ccc(CC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cn1 CC(C)O[*:1] Cc1ccc(cn1)CC(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc(CC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cn1 CC(C)[*:1] Cc1ccc(cn1)CC(=O)N[C@H](C)c1ccc(cc1)O[*:1]
C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1nnc2n1CCC2 c1ccc(cc1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)NCc1nnc2CCCn21
C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1nnc2n1CCC2 c1ccc(cc1)C[*:1] C[NH+](C)CCN(C(=O)NCc1nnc2CCCn21)[*:1]
C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[*:1]
Cc1cc(C)c2c(N(C)C)nc(C(=O)NCc3cccnc3)nc2n1 c1cncc(c1)C[*:1] Cc1cc(C)c2c(nc(nc2n1)C(=O)N[*:1])N(C)C
Cc1cc(C)c2c(N(C)C)nc(C(=O)NCc3cccnc3)nc2n1 CN(C)[*:1] Cc1cc(C)c2c(nc(nc2n1)C(=O)NCc1cccnc1)[*:1]
Cc1cc(C)c2c(N(C)C)nc(C(=O)NCc3cccnc3)nc2n1 c1cncc(c1)[*:1] Cc1cc(C)c2c(nc(nc2n1)C(=O)NC[*:1])N(C)C
Nc1cc[nH+]c(N2CCC[C@](Cc3ccc(F)cc3)(C(=O)[O-])C2)n1 O=C([O-])[*:1] Nc1cc[nH+]c(n1)N1CCC[C@](Cc2ccc(F)cc2)(C1)[*:1]
Nc1cc[nH+]c(N2CCC[C@](Cc3ccc(F)cc3)(C(=O)[O-])C2)n1 Fc1ccc(cc1)C[*:1] Nc1cc[nH+]c(n1)N1CCC[C@@](C1)(C(=O)[O-])[*:1]
Nc1cc[nH+]c(N2CCC[C@](Cc3ccc(F)cc3)(C(=O)[O-])C2)n1 Fc1ccc(cc1)[*:1] Nc1cc[nH+]c(n1)N1CCC[C@](C1)(C[*:1])C(=O)[O-]
CCCN(CCO)C(=O)Nc1ccc(OCC)c(C)c1 OCC[*:1] CCCN(C(=O)Nc1ccc(OCC)c(C)c1)[*:1]
CCCN(CCO)C(=O)Nc1ccc(OCC)c(C)c1 CCO[*:1] CCCN(CCO)C(=O)Nc1ccc(c(C)c1)[*:1]
CCCN(CCO)C(=O)Nc1ccc(OCC)c(C)c1 CCC[*:1] CCOc1ccc(cc1C)NC(=O)N(CCO)[*:1]
COc1cc(F)ccc1N1CCN(CCS(N)(=O)=O)CC1 NS(=O)(=O)[*:1] COc1cc(F)ccc1N1CCN(CC1)CC[*:1]
COc1cc(F)ccc1N1CCN(CCS(N)(=O)=O)CC1 NS(=O)(=O)CC[*:1] COc1cc(F)ccc1N1CCN(CC1)[*:1]
COc1cc(F)ccc1N1CCN(CCS(N)(=O)=O)CC1 NS(=O)(=O)C[*:1] COc1cc(F)ccc1N1CCN(CC1)C[*:1]
CCCCNC(=O)[C@H](C)Sc1nc2ncccn2n1 CCCC[*:1] C[C@H](Sc1nc2ncccn2n1)C(=O)N[*:1]
CCCCNC(=O)[C@H](C)Sc1nc2ncccn2n1 CCC[*:1] C[C@H](Sc1nc2ncccn2n1)C(=O)NC[*:1]
Cc1ccc(NC(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c(F)c1 O=C([O-])[*:1] Cc1ccc(NC(=O)N[C@@H]2C=C[C@@H](C2)[*:1])c(F)c1
CC(C)(CNC(=O)[C@@H]1C[C@@H]1c1cccnc1)c1ccc2c(c1)OCCO2 c1cncc(c1)[*:1] CC(C)(CNC(=O)[C@@H]1C[C@H]1[*:1])c1ccc2OCCOc2c1
Cc1ccc(CS(=O)(=O)N(C)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CS(=O)(=O)N(C)C[*:1]
COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1 Cc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)N1C(=O)[C@@H]2[C@@H](N=NN2CC(=O)N[*:1])C1=O
COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(C(=O)[C@H]32)[*:1])c(Cl)c1
FC(F)(F)C1(C(F)(F)F)CCN(Cc2cnn3c2NCCC3)C1 FC(F)(F)[*:1] FC(F)(F)C1(CCN(Cc2cnn3CCCNc23)C1)[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)Cn1c(=O)oc2cc(ccc21)[*:1]
O=C([C@H]1COc2ccc(F)cc2C1)N1CCC(N2CCNC2=O)CC1 O=C1NCCN1[*:1] O=C([C@H]1COc2ccc(F)cc2C1)N1CCC(CC1)[*:1]
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccn1 Cc1ccc(Cl)cc1[*:1] C=CCn1c(nnc1-c1ccccn1)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccn1 C=CC[*:1] Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccn2)n1[*:1]
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccn1 c1ccc(nc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)Nc1cc(Cl)ccc1C
c1ccc([C@@H](NC[C@H]2C[NH+]3CCN2CC3)C2CC2)cc1 C1CC1[*:1] c1ccc(cc1)[C@@H](NC[C@H]1C[NH+]2CCN1CC2)[*:1]
c1ccc([C@@H](NC[C@H]2C[NH+]3CCN2CC3)C2CC2)cc1 c1ccc(cc1)[*:1] C1CC1[C@H](NC[C@H]1C[NH+]2CCN1CC2)[*:1]
Cc1ccccc1OCC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1OCC(=O)N1C[C@@H](O)C[C@@H]1[*:1]
Cc1ccc(CNC(=O)c2cc(-c3cccnc3)n3c2CSC3)o1 c1cncc(c1)[*:1] Cc1ccc(CNC(=O)c2cc(n3CSCc23)[*:1])o1
Cc1ccc(CNC(=O)c2cc(-c3cccnc3)n3c2CSC3)o1 Cc1ccc(C[*:1])o1 O=C(N[*:1])c1cc(-c2cccnc2)n2CSCc12
Cc1ccc(CNC(=O)c2cc(-c3cccnc3)n3c2CSC3)o1 Cc1ccc(o1)[*:1] O=C(NC[*:1])c1cc(-c2cccnc2)n2CSCc12
Cc1csc(CN2C(=O)CNC(=O)[C@@H]2C2CCCCC2)n1 C1CCC(CC1)[*:1] Cc1csc(CN2C(=O)CNC(=O)[C@H]2[*:1])n1
Cc1csc(CN2C(=O)CNC(=O)[C@@H]2C2CCCCC2)n1 Cc1csc(C[*:1])n1 O=C1NCC(=O)N([C@H]1C1CCCCC1)[*:1]
Cc1csc(CN2C(=O)CNC(=O)[C@@H]2C2CCCCC2)n1 Cc1csc(n1)[*:1] O=C1NCC(=O)N(C[*:1])[C@H]1C1CCCCC1
COc1ccc(NC(=O)CN2CCO[C@@H](c3ccccc3F)C2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)NC(=O)CN1CCO[C@@H](C1)[*:1]
COc1ccc(NC(=O)CN2CCO[C@@H](c3ccccc3F)C2)cc1 COc1ccc(cc1)[*:1] O=C(CN1CCO[C@H](C1)c1ccccc1F)N[*:1]
COc1ccc(NC(=O)N2CCC(Cn3c(C)nc4ccccc43)CC2)cc1 COc1ccc(cc1)[*:1] Cc1nc2ccccc2n1CC1CCN(CC1)C(=O)N[*:1]
COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(/C=C/c2cc(OC)c(OC)c(c2)OC)cc1[*:1]
O=C1NC2(CCCC2)C(=O)N1Cc1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] O=C1NC2(CCCC2)C(=O)N1Cc1noc(n1)[*:1]
COc1ccccc1-c1ncc(-c2cn(Cc3cnn(C)c3)nn2)cn1 Cn1cc(cn1)[*:1] COc1ccccc1-c1ncc(cn1)-c1cn(C[*:1])nn1
COc1ccccc1-c1ncc(-c2cn(Cc3cnn(C)c3)nn2)cn1 COc1ccccc1[*:1] Cn1cc(cn1)Cn1cc(nn1)-c1cnc(nc1)[*:1]
COc1ccccc1-c1ncc(-c2cn(Cc3cnn(C)c3)nn2)cn1 Cn1cc(cn1)C[*:1] COc1ccccc1-c1ncc(cn1)-c1cn(nn1)[*:1]
COC(=O)[C@@H](Sc1ncc[nH]1)c1ccccc1Cl c1c[nH]c(n1)S[*:1] COC(=O)[C@@H](c1ccccc1Cl)[*:1]
COC(=O)[C@@H](Sc1ncc[nH]1)c1ccccc1Cl c1c[nH]c(n1)[*:1] COC(=O)[C@@H](S[*:1])c1ccccc1Cl
COC(=O)[C@@H](Sc1ncc[nH]1)c1ccccc1Cl COC(=O)[*:1] Clc1ccccc1[C@H](Sc1ncc[nH]1)[*:1]
CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2Cl)c1 O=C(N[*:1])c1cccs1 CS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1Cl)[*:1]
CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2Cl)c1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1Cl)NC(=O)c1cccs1)c1cccc(c1)[*:1]
CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2Cl)c1 c1csc(c1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1Cl)NC(=O)[*:1]
COC[C@H](C)NC(=O)/C=C/c1ccco1 COC[C@H](C)[*:1] O=C(/C=C/c1ccco1)N[*:1]
COC[C@H](C)NC(=O)/C=C/c1ccco1 COC[*:1] C[C@H](NC(=O)/C=C/c1ccco1)[*:1]
COC[C@H](C)NC(=O)/C=C/c1ccco1 c1coc(c1)[*:1] COC[C@H](C)NC(=O)C=C[*:1]
Cc1ccc([C@H](O)[C@H]2CCOC3(CCCC3)C2)o1 Cc1ccc(o1)[*:1] O[C@H]([C@H]1CCOC2(CCCC2)C1)[*:1]
COC(=O)[C@@H]1CN(C(=O)CSC)CCN1C(=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)[C@@H]1CN(CCN1C(=O)[*:1])C(=O)CSC
COC(=O)[C@@H]1CN(C(=O)CSC)CCN1C(=O)c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)C(=O)N1CCN(C[C@H]1[*:1])C(=O)CSC
COC(=O)[C@@H]1CN(C(=O)CSC)CCN1C(=O)c1ccc(OC)cc1 CSC[*:1] COC(=O)[C@@H]1CN(CCN1C(=O)c1ccc(cc1)OC)C(=O)[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)c1c[nH]c(=O)c(Br)c1 CC(C)[*:1] C[C@@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)O[*:1]
CC(C)OC(=O)[C@@H](C)CNC(=O)c1c[nH]c(=O)c(Br)c1 CC(C)OC(=O)[*:1] C[C@@H](CNC(=O)c1c[nH]c(=O)c(Br)c1)[*:1]
Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1-c1ccc(CO)o1 OCc1ccc(o1)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ccc(Cl)c(Cl)c1
Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1-c1ccc(CO)o1 Clc1ccc(cc1Cl)[*:1] Cc1cc(ccc1-c1ccc(CO)o1)NC(=O)[*:1]
C[C@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1c(F)cccc1F C1CC1[*:1] C[C@H](Sc1nnc(n1C)[*:1])C(=O)Nc1c(F)cccc1F
CCOc1ccccc1NC(=S)NC(C)=O CCO[*:1] CC(=O)NC(=S)Nc1ccccc1[*:1]
Cn1c(=O)c2c(nc(Oc3ccc(C(C)(C)C)cc3)n2C)n(C)c1=O CC(C)(C)[*:1] Cn1c(=O)c2c(nc(Oc3ccc(cc3)[*:1])n2C)n(C)c1=O
CCC[C@@H]1C(=O)NCCN1Cc1cnc(-c2cccs2)s1 c1csc(c1)[*:1] CCC[C@@H]1C(=O)NCCN1Cc1cnc(s1)[*:1]
CCC[C@@H]1C(=O)NCCN1Cc1cnc(-c2cccs2)s1 CCC[*:1] O=C1NCCN(Cc2cnc(s2)-c2cccs2)[C@@H]1[*:1]
Cc1ccc(SCCSc2ccccc2)c(N)c1 c1ccc(cc1)[*:1] Cc1ccc(SCCS[*:1])c(N)c1
CC(C)c1cc(C(=O)N(C[C@H](O)c2ccccc2)C2CCCCC2)n(C)n1 O[C@@H](C[*:1])c1ccccc1 CC(C)c1cc(C(=O)N(C2CCCCC2)[*:1])n(C)n1
CC(C)c1cc(C(=O)N(C[C@H](O)c2ccccc2)C2CCCCC2)n(C)n1 C1CCC(CC1)[*:1] CC(C)c1cc(C(=O)N(C[C@H](O)c2ccccc2)[*:1])n(C)n1
CC(C)c1cc(C(=O)N(C[C@H](O)c2ccccc2)C2CCCCC2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)N(C[C@H](O)c1ccccc1)C1CCCCC1)[*:1]
CC(C)c1cc(C(=O)N(C[C@H](O)c2ccccc2)C2CCCCC2)n(C)n1 c1ccc(cc1)[*:1] CC(C)c1cc(C(=O)N(C[C@H](O)[*:1])C2CCCCC2)n(C)n1
CC(C)c1cc(C(=O)N(C[C@H](O)c2ccccc2)C2CCCCC2)n(C)n1 CC(C)c1cc(n(C)n1)[*:1] O=C(N(C[C@H](O)c1ccccc1)C1CCCCC1)[*:1]
CC(C)c1cc(C(=O)N(C[C@H](O)c2ccccc2)C2CCCCC2)n(C)n1 O[C@H](c1ccccc1)[*:1] CC(C)c1cc(C(=O)N(C[*:1])C2CCCCC2)n(C)n1
Cn1cc(CNc2ncc(C(N)=O)cc2Cl)cn1 NC(=O)[*:1] Cn1cc(cn1)CNc1ncc(cc1Cl)[*:1]
Cn1cc(CNc2ncc(C(N)=O)cc2Cl)cn1 Cn1cc(cn1)[*:1] NC(=O)c1cnc(NC[*:1])c(Cl)c1
CC(C)COc1ccccc1NC(=O)COc1ccccc1 CC(C)CO[*:1] O=C(COc1ccccc1)Nc1ccccc1[*:1]
CC(C)COc1ccccc1NC(=O)COc1ccccc1 c1ccc(cc1)O[*:1] CC(C)COc1ccccc1NC(=O)C[*:1]
CC(C)COc1ccccc1NC(=O)COc1ccccc1 CC(C)[*:1] O=C(COc1ccccc1)Nc1ccccc1OC[*:1]
CC(C)COc1ccccc1NC(=O)COc1ccccc1 c1ccc(cc1)[*:1] CC(C)COc1ccccc1NC(=O)CO[*:1]
CC(C)COc1ccccc1NC(=O)COc1ccccc1 CC(C)C[*:1] O=C(COc1ccccc1)Nc1ccccc1O[*:1]
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccc1O FC(F)(F)[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])c1ccccc1O
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccc1O Oc1ccccc1[*:1] O=C(N/N=C/c1ccc(cc1)C(F)(F)F)[*:1]
CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(c2ccccc2OC)CC1 COc1ccccc1[*:1] CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(CC1)[*:1]
CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(c2ccccc2OC)CC1 Fc1ccccc1[*:1] CCC(C)(C)n1nnnc1[C@@H](N1CCN(CC1)c1ccccc1OC)[*:1]
CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(c2ccccc2OC)CC1 CCC(C)(C)[*:1] COc1ccccc1N1CCN(CC1)[C@H](c1ccccc1F)c1nnnn1[*:1]
CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)cc2)C1 Fc1ccccc1[*:1] CCn1cc[nH+]c1[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
O=C(NCc1cscn1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(NCc1cscn1)N1CCC(CC1)OC[*:1]
O=C(NCc1cscn1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(NCc1cscn1)N1CCC(CC1)O[*:1]
O=C(NCc1cscn1)N1CCC(OCc2ccccc2F)CC1 c1nc(cs1)[*:1] O=C(NC[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(NCc1cscn1)N1CCC(OCc2ccccc2F)CC1 c1nc(cs1)C[*:1] O=C(N[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cnc(Cl)c(Cl)c1 O=C1CCC(=O)N1C[*:1] O=C(Nc1ccc(cc1)[*:1])c1cnc(Cl)c(Cl)c1
O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cnc(Cl)c(Cl)c1 O=C1CCC(=O)N1[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cnc(Cl)c(Cl)c1
O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cnc(Cl)c(Cl)c1 Clc1cc(cnc1Cl)[*:1] O=C1CCC(=O)N1Cc1ccc(cc1)NC(=O)[*:1]
COc1ccc(-c2cc(=O)n(CC(=O)NCc3ccc(Cl)cc3)cn2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(=O)n(cn1)CC(=O)NC[*:1]
COc1ccc(-c2cc(=O)n(CC(=O)NCc3ccc(Cl)cc3)cn2)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1cc(=O)n(cn1)CC(=O)N[*:1]
COc1ccc(-c2cc(=O)n(CC(=O)NCc3ccc(Cl)cc3)cn2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1cnc(cc1=O)[*:1])NCc1ccc(Cl)cc1
Cc1cnc(C[NH2+][C@@H]2CCCc3ccc(C(C)C)cc32)s1 CC(C)[*:1] Cc1cnc(C[NH2+][C@@H]2CCCc3ccc(cc32)[*:1])s1
Cc1cnc(C[NH2+][C@@H]2CCCc3ccc(C(C)C)cc32)s1 Cc1cnc(s1)[*:1] CC(C)c1ccc2CCC[C@@H]([NH2+]C[*:1])c2c1
Cc1cnc(C[NH2+][C@@H]2CCCc3ccc(C(C)C)cc32)s1 Cc1cnc(C[*:1])s1 CC(C)c1ccc2CCC[C@@H]([NH2+][*:1])c2c1
CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3c2CCC3)cc1 C1CCC(CC1)[*:1] CCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1ncnc2CCCc21)[*:1]
CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3c2CCC3)cc1 c1nc2CCCc2c(n1)[*:1] CCN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)N(C)Cc1ccc([S@](C)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1NC(=O)N(C)Cc1ccc(cc1)[S@](C)=O)[*:1]
CCc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)c1 CCc1cccc(c1)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[*:1]
CCc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] CCc1cccc(c1)NC(=O)[C@@H](C)NS(=O)(=O)[*:1]
O=C(NCc1csc(=O)[nH]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(NCc1csc(=O)[nH]1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCc1csc(=O)[nH]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCc1csc(=O)[nH]1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(NCc1csc(=O)[nH]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 O=c1[nH]c(cs1)[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)CC(F)(F)F
O=C(NCc1csc(=O)[nH]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 O=c1[nH]c(cs1)C[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)CC(F)(F)F
COC(=O)CNc1cc(C)ccc1NC(C)=O COC(=O)C[*:1] CC(=O)Nc1ccc(C)cc1N[*:1]
COC(=O)CNc1cc(C)ccc1NC(C)=O COC(=O)[*:1] CC(=O)Nc1ccc(C)cc1NC[*:1]
COC(=O)CNc1cc(C)ccc1NC(C)=O CC(=O)N[*:1] COC(=O)CNc1cc(C)ccc1[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nnc(Cc3ccc(C(C)C)cc3)o2)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(Cc2ccc(cc2)[*:1])o1
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nnc(Cc3ccc(C(C)C)cc3)o2)cc1 CC(C)c1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(o1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nnc(Cc3ccc(C(C)C)cc3)o2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)Cc1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)[*:1])o1
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nnc(Cc3ccc(C(C)C)cc3)o2)cc1 CC(C)c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(C[*:1])o1
C[C@@H](c1ccccc1)n1c(=C(C#N)C#N)s/c(=C\c2ccccn2)c1=O c1ccc(nc1)[*:1] C[C@@H](c1ccccc1)n1c(sc(=C[*:1])c1=O)=C(C#N)C#N
C[C@@H](c1ccccc1)n1c(=C(C#N)C#N)s/c(=C\c2ccccn2)c1=O C[C@@H](c1ccccc1)[*:1] N#CC(C#N)=c1s/c(=C\c2ccccn2)c(=O)n1[*:1]
C[C@@H](c1ccccc1)n1c(=C(C#N)C#N)s/c(=C\c2ccccn2)c1=O c1ccc(cc1)[*:1] C[C@@H](n1c(s/c(=C\c2ccccn2)c1=O)=C(C#N)C#N)[*:1]
Cc1ccccc1C(=O)NCC(=O)N[C@H]1c2ccccc2C[C@H]1O Cc1ccccc1[*:1] O=C(CNC(=O)[*:1])N[C@H]1c2ccccc2C[C@H]1O
CC(C)CCC[C@H](C)NC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 CC(C)CCC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ncnc2[nH]cnc12
CC(C)CCC[C@H](C)NC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 CC(C)C[*:1] C[C@@H](CC[*:1])NC(=O)[C@H]1CCCN(C1)c1ncnc2[nH]cnc12
CC(C)CCC[C@H](C)NC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 CC(C)CCC[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)c1ncnc2[nH]cnc12)[*:1]
CC(C)CCC[C@H](C)NC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 CC(C)CC[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1CCCN(C1)c1ncnc2[nH]cnc12
CC(C)CCC[C@H](C)NC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 CC(C)[*:1] C[C@@H](CCC[*:1])NC(=O)[C@H]1CCCN(C1)c1ncnc2[nH]cnc12
CC(C)C[C@H](C(=O)NCc1cccc(CO)c1)N1CCCCC1=O CC(C)C[*:1] O=C(NCc1cccc(c1)CO)[C@H](N1CCCCC1=O)[*:1]
CC(C)C[C@H](C(=O)NCc1cccc(CO)c1)N1CCCCC1=O CC(C)[*:1] O=C(NCc1cccc(c1)CO)[C@@H](C[*:1])N1CCCCC1=O
CC(C)C[C@H](C(=O)NCc1cccc(CO)c1)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@H](C(=O)NCc1cccc(c1)CO)[*:1]
CC(C)C[C@H](C(=O)NCc1cccc(CO)c1)N1CCCCC1=O OCc1cccc(c1)[*:1] CC(C)C[C@H](C(=O)NC[*:1])N1CCCCC1=O
O=c1c(NCc2ccc3c(c2)OCO3)c(-c2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] O=c1c(NCc2ccc3OCOc3c2)c(c1=O)[*:1]
CO[C@@]1(C)C[C@H](N(C)C(=O)NCc2csc(C(C)C)n2)C1(C)C CC(C)[*:1] CO[C@@]1(C)C[C@H](N(C)C(=O)NCc2csc(n2)[*:1])C1(C)C
CCC[NH2+][C@@]1(CO)CC[C@@H](n2c(C)nc3ccccc32)C1 CCC[*:1] Cc1nc2ccccc2n1[C@@H]1CC[C@@](CO)(C1)[NH2+][*:1]
COc1cc(OC)cc(-n2c(=O)c3sccc3n(Cc3cc(C)ccc3C)c2=O)c1 COc1cc(cc(c1)[*:1])OC Cc1ccc(C)c(c1)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
COc1cc(OC)cc(-n2c(=O)c3sccc3n(Cc3cc(C)ccc3C)c2=O)c1 Cc1ccc(C)c(c1)[*:1] COc1cc(cc(c1)-n1c(=O)c2sccc2n(C[*:1])c1=O)OC
COc1cc(OC)cc(-n2c(=O)c3sccc3n(Cc3cc(C)ccc3C)c2=O)c1 Cc1ccc(C)c(c1)C[*:1] COc1cc(cc(c1)-n1c(=O)c2sccc2n(c1=O)[*:1])OC
O=S(=O)(N[C@@H](Cc1ccccc1)C1CC1)N1CCCCC1 C1CC1[*:1] O=S(=O)(N[C@@H](Cc1ccccc1)[*:1])N1CCCCC1
O=S(=O)(N[C@@H](Cc1ccccc1)C1CC1)N1CCCCC1 c1ccc(cc1)C[*:1] O=S(=O)(N[C@@H](C1CC1)[*:1])N1CCCCC1
O=S(=O)(N[C@@H](Cc1ccccc1)C1CC1)N1CCCCC1 c1ccc(cc1)[*:1] O=S(=O)(N[C@@H](C[*:1])C1CC1)N1CCCCC1
CC(C)CC(=O)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2 CC(C)C[*:1] O=C(Nc1cc(nn1-c1nc2CCCc2c(=O)[nH]1)-c1cccs1)[*:1]
CC(C)CC(=O)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2 CC(C)CC(=O)N[*:1] O=c1[nH]c(nc2CCCc21)-n1nc(cc1[*:1])-c1cccs1
CC(C)CC(=O)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2 CC(C)[*:1] O=C(C[*:1])Nc1cc(nn1-c1nc2CCCc2c(=O)[nH]1)-c1cccs1
CC(C)CC(=O)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2 c1csc(c1)[*:1] CC(C)CC(=O)Nc1cc(nn1-c1nc2CCCc2c(=O)[nH]1)[*:1]
O=C(C1CC1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 C1CC1[*:1] O=C(N1CCC[C@@H](C1)c1nnc(o1)-c1cccs1)[*:1]
O=C(C1CC1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 c1csc(c1)[*:1] O=C(C1CC1)N1CCC[C@@H](C1)c1nnc(o1)[*:1]
CCCCNC(=O)CSc1nncn1-c1cccc(Cl)c1 CCCCNC(=O)[*:1] Clc1cccc(c1)-n1cnnc1SC[*:1]
CCCCNC(=O)CSc1nncn1-c1cccc(Cl)c1 CCC[*:1] O=C(CSc1nncn1-c1cccc(Cl)c1)NC[*:1]
CCCCNC(=O)CSc1nncn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCCCNC(=O)CSc1nncn1[*:1]
CCCCNC(=O)CSc1nncn1-c1cccc(Cl)c1 CCCC[*:1] O=C(CSc1nncn1-c1cccc(Cl)c1)N[*:1]
Cc1ccccc1-n1ccn(CC(=O)N2CCCc3ccccc32)c(=O)c1=O Cc1ccccc1[*:1] O=C(Cn1ccn(c(=O)c1=O)[*:1])N1CCCc2ccccc21
Cc1c(C)c2ccc(NC(=O)c3cccnc3)cc2[nH]c1=O c1cncc(c1)[*:1] Cc1c(C)c2ccc(cc2[nH]c1=O)NC(=O)[*:1]
CC(C)(C)c1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1 CS(=O)(=O)C[*:1] CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)C[*:1]
CC(C)(C)c1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1 CC(C)(C)[*:1] CS(=O)(=O)CCN1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1 CS(=O)(=O)CC[*:1] CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
CC(C)(C)c1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cc1 CS(=O)(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)CC[*:1]
CC(C)[C@@H](S[C@@H](C)[C@@H](C)O)C(=O)N1CCC(C(N)=O)CC1 CC(C)[*:1] C[C@H](S[C@@H](C(=O)N1CCC(CC1)C(N)=O)[*:1])[C@@H](C)O
CC(C)[C@@H](S[C@@H](C)[C@@H](C)O)C(=O)N1CCC(C(N)=O)CC1 C[C@@H](O)[*:1] CC(C)[C@@H](S[C@@H](C)[*:1])C(=O)N1CCC(CC1)C(N)=O
CC(C)[C@@H](S[C@@H](C)[C@@H](C)O)C(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] CC(C)[C@@H](S[C@@H](C)[C@@H](C)O)C(=O)N1CCC(CC1)[*:1]
CC[C@@H](C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] CC[C@@H](C)N[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1ccc(Cl)cc1
CC[C@@H](C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H](C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[*:1]
CC[C@@H](C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] Clc1ccc(cc1)[*:1] CC[C@@H](C)Nc1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
COc1cccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 COc1cccc(c1)C[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(C)(CC1)C(=O)N[*:1]
COc1cccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 Cc1cc(C)c(c(C)c1)[*:1] COc1cccc(c1)CNC(=O)C1(C)CCN(CC1)S(=O)(=O)[*:1]
COc1cccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 COc1cccc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(C)(CC1)C(=O)NC[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)O[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)C[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 COc1ccccc1[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)CO[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)OC[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)C(=O)NCCNC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1ccc(Cl)cc1NC(=O)C(=O)NCC[*:1]
Cc1ccc(Cl)cc1NC(=O)C(=O)NCCNC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccc(Cl)cc1NC(=O)C(=O)NCCNC(=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)C(=O)NCCNC(=O)c1ccco1 Cc1ccc(Cl)cc1[*:1] O=C(NCCNC(=O)c1ccco1)C(=O)N[*:1]
Cc1nc(C(C)C)sc1C(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 CC(C)[*:1] Cc1nc(sc1C(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1)[*:1]
CC[NH2+][C@H]1CCC[C@@H]1CCS(=O)(=O)C(C)(C)C CC(C)(C)[*:1] CC[NH2+][C@H]1CCC[C@@H]1CCS(=O)(=O)[*:1]
O=C1Nc2ccc(S(=O)(=O)NC3CCCC3)cc2C1=O C1CCC(C1)[*:1] O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N[*:1]
Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C(NC[C@H]1CCCO1)c1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1 C1CO[C@H](C1)C[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)N[*:1]
Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1 C1CO[C@H](C1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)NC[*:1]
Cc1cscc1-c1noc(SCC(=O)[O-])n1 O=C([O-])[*:1] Cc1cscc1-c1noc(n1)SC[*:1]
Cc1cscc1-c1noc(SCC(=O)[O-])n1 O=C([O-])CS[*:1] Cc1cscc1-c1noc(n1)[*:1]
Cc1cscc1-c1noc(SCC(=O)[O-])n1 O=C([O-])C[*:1] Cc1cscc1-c1noc(n1)S[*:1]
C#CCOc1ccc(F)cc1NC(=O)CN1CCCOC1=O C#CCO[*:1] O=C(CN1CCCOC1=O)Nc1cc(F)ccc1[*:1]
C#CCOc1ccc(F)cc1NC(=O)CN1CCCOC1=O O=C1OCCCN1[*:1] C#CCOc1ccc(F)cc1NC(=O)C[*:1]
C#CCOc1ccc(F)cc1NC(=O)CN1CCCOC1=O C#CC[*:1] O=C(CN1CCCOC1=O)Nc1cc(F)ccc1O[*:1]
CC[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1cc(F)ccc1F C1CO[C@H](C1)[*:1] CC[C@H](NC(=O)N(C)C[*:1])c1cc(F)ccc1F
CC[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1cc(F)ccc1F C1CO[C@H](C1)C[*:1] CC[C@H](NC(=O)N(C)[*:1])c1cc(F)ccc1F
CCC(CC)[NH2+]CCc1nncn1C1CC1 C1CC1[*:1] CCC(CC)[NH2+]CCc1nncn1[*:1]
CCC(CC)[NH2+]CCc1nncn1C1CC1 CCC(CC)[*:1] c1nnc(CC[NH2+][*:1])n1C1CC1
CSc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1 c1ccc(cc1)C[*:1] CSc1ccc(cc1)-c1nnn(CC(=O)N[*:1])n1
CSc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1 CSc1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])NCc1ccccc1
CSc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)-c1nnn(CC(=O)NC[*:1])n1
C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1cc(C(=O)[O-])ccc1F O=C([O-])[*:1] C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1cc(ccc1F)[*:1]
Cc1cc2n(C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)c(C)cc(=O)n2n1 c1ccc(cc1)[*:1] Cc1cc2n(C[C@@H](O)COc3ccc(cc3)C(C)(C)[*:1])c(C)cc(=O)n2n1
Cc1cc2n(C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)c(C)cc(=O)n2n1 CC(C)(c1ccccc1)[*:1] Cc1cc2n(C[C@@H](O)COc3ccc(cc3)[*:1])c(C)cc(=O)n2n1
O=C([O-])CCNC(=O)CSc1nc2[nH]cnc2c(=O)[nH]1 O=C([O-])C[*:1] O=C(CSc1nc2[nH]cnc2c(=O)[nH]1)NC[*:1]
O=C([O-])CCNC(=O)CSc1nc2[nH]cnc2c(=O)[nH]1 O=C([O-])CC[*:1] O=C(CSc1nc2[nH]cnc2c(=O)[nH]1)N[*:1]
O=C([O-])CCNC(=O)CSc1nc2[nH]cnc2c(=O)[nH]1 O=C([O-])[*:1] O=C(CSc1nc2[nH]cnc2c(=O)[nH]1)NCC[*:1]
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc2ccc(F)cc2s1 c1coc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCCC1)[*:1])c1cc2ccc(F)cc2s1
CCCc1nc(-n2cccc2)sc1C(=O)N[C@@H]1CCCc2ccccc21 CCC[*:1] O=C(N[C@@H]1CCCc2ccccc21)c1sc(nc1[*:1])-n1cccc1
CCCc1nc(-n2cccc2)sc1C(=O)N[C@@H]1CCCc2ccccc21 c1ccn(c1)[*:1] CCCc1nc(sc1C(=O)N[C@@H]1CCCc2ccccc21)[*:1]
CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCCC2 CCOC(=O)[*:1] O=C(Cc1ccccc1)Nc1sc2CCCCCc2c1[*:1]
CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCCC2 c1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)C[*:1])sc2CCCCCc21
CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCCC2 c1ccc(cc1)C[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2CCCCCc21
Cc1c(F)cccc1NC(=O)N[C@H]1CCC[C@H]1C C[C@@H]1CCC[C@@H]1[*:1] Cc1c(F)cccc1NC(=O)N[*:1]
CCOc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)S2)cc1 CCOc1ccc(cc1)[*:1] O=C(C[C@H]1SC(=N[*:1])NC1=O)Nc1ccc(Br)cc1
CCOc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)S2)cc1 Brc1ccc(cc1)[*:1] CCOc1ccc(cc1)/N=C1/NC(=O)[C@@H](CC(=O)N[*:1])S1
CCOc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)S2)cc1 CCO[*:1] O=C(C[C@H]1S/C(=N\c2ccc(cc2)[*:1])NC1=O)Nc1ccc(Br)cc1
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)-c1nc(n[nH]1)C1CC1)[C@H]1CCCN1C(=O)C[*:1]
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 CC(C)(C)C[*:1] O=C(Nc1cccc(c1)-c1nc(n[nH]1)C1CC1)[C@H]1CCCN1C(=O)[*:1]
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 C1CC1[*:1] CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(c1)-c1nc(n[nH]1)[*:1]
CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 C1CC1c1n[nH]c(n1)[*:1] CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccccc2C)CC1 CCc1ccccc1[*:1] Cc1ccccc1C(=O)N1CCN(CC1)CC(=O)N[*:1]
CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccccc2C)CC1 Cc1ccccc1[*:1] CCc1ccccc1NC(=O)CN1CCN(CC1)C(=O)[*:1]
COc1cccc(OC)c1C(=O)Nc1ccc([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] COc1cccc(OC)c1C(=O)Nc1ccc(cc1C)[*:1]
COC(C)(C)C(=O)N1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2C)CC1 FC(F)(F)[*:1] COC(C)(C)C(=O)N1CCC[C@H](CC1)NC(=O)c1ccc(nc1C)[*:1]
COC(C)(C)C(=O)N1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2C)CC1 COC(C)(C)[*:1] Cc1nc(ccc1C(=O)N[C@@H]1CCCN(CC1)C(=O)[*:1])C(F)(F)F
CCCc1noc(Cn2nc(C(C)(C)C)ccc2=O)n1 CCC[*:1] CC(C)(C)c1ccc(=O)n(Cc2nc(no2)[*:1])n1
CCCc1noc(Cn2nc(C(C)(C)C)ccc2=O)n1 CC(C)(C)[*:1] CCCc1noc(Cn2nc(ccc2=O)[*:1])n1
CC(C)CC[C@@H](C)NC(=O)NCC(C)C CC(C)[*:1] CC(C)CNC(=O)N[C@H](C)CC[*:1]
CC(C)CC[C@@H](C)NC(=O)NCC(C)C CC(C)C[*:1] CC(C)CC[C@@H](C)NC(=O)N[*:1]
CC(C)CC[C@@H](C)NC(=O)NCC(C)C CC(C)[*:1] CC(C)CC[C@@H](C)NC(=O)NC[*:1]
CC(C)CC[C@@H](C)NC(=O)NCC(C)C CC(C)C[*:1] CC(C)CNC(=O)N[C@H](C)C[*:1]
CC(C)CC[C@@H](C)NC(=O)NCC(C)C CC(C)CC[*:1] CC(C)CNC(=O)N[C@H](C)[*:1]
CCOc1cc2c(cc1[C@@H](O)C=C(C)C)O[C@@H](C)C2 CCO[*:1] CC(C)=C[C@H](O)c1cc2O[C@@H](C)Cc2cc1[*:1]
CCOc1cc2c(cc1[C@@H](O)C=C(C)C)O[C@@H](C)C2 CC(C)=C[C@H](O)[*:1] CCOc1cc2C[C@H](C)Oc2cc1[*:1]
CCOc1cc2c(cc1[C@@H](O)C=C(C)C)O[C@@H](C)C2 CC(C)=C[*:1] CCOc1cc2C[C@H](C)Oc2cc1[C@@H](O)[*:1]
COc1ccc(/C=C/C(=O)Nc2ccccc2S(C)(=O)=O)cc1OC CS(=O)(=O)[*:1] COc1ccc(/C=C/C(=O)Nc2ccccc2[*:1])cc1OC
C[C@@H](SCc1noc(C(C)(C)C)n1)C(=O)N1CCCCCC1 CC(C)(C)[*:1] C[C@@H](SCc1noc(n1)[*:1])C(=O)N1CCCCCC1
Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl Clc1cc(c(Cl)s1)[*:1] Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)[*:1]
Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl Cn1cnnc1[*:1] O=S(=O)([N-]c1ccccc1S[*:1])c1cc(Cl)sc1Cl
Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl Cn1cnnc1S[*:1] O=S(=O)([N-]c1ccccc1[*:1])c1cc(Cl)sc1Cl
COC(=O)[C@H](NCc1cccc(OC)c1)c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)[C@H](NCc1cccc(c1)OC)[*:1]
COC(=O)[C@H](NCc1cccc(OC)c1)c1ccccc1Cl COC(=O)[*:1] COc1cccc(c1)CN[C@H](c1ccccc1Cl)[*:1]
CC[C@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1)c1ccncc1 Cc1cccc(c1)[*:1] CC[C@H]([NH2+]Cc1cn(nc1[*:1])-c1ccc(C)cc1)c1ccncc1
CC[C@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H]([NH2+]Cc1cn(nc1-c1cccc(C)c1)-c1ccc(C)cc1)[*:1]
CC[C@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1)c1ccncc1 Cc1ccc(cc1)[*:1] CC[C@H]([NH2+]Cc1cn(nc1-c1cccc(C)c1)[*:1])c1ccncc1
Cc1ncc([C@@H](C)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)s1 C1CC(CCO1)O[*:1] Cc1ncc(s1)[C@@H](C)N[C@H](C)[C@H](c1ccccc1)[*:1]
Cc1ncc([C@@H](C)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)s1 C1CC(CCO1)[*:1] Cc1ncc(s1)[C@@H](C)N[C@H](C)[C@H](O[*:1])c1ccccc1
Cc1ncc([C@@H](C)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)s1 Cc1ncc(s1)[*:1] C[C@@H](N[C@H](C)[*:1])[C@H](OC1CCOCC1)c1ccccc1
Cc1ncc([C@@H](C)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ncc(s1)[C@@H](C)N[C@H](C)[C@H](OC1CCOCC1)[*:1]
CC(C)C[C@@H](C[NH+](C)C)n1c(CCl)nc2cnccc21 CC(C)[*:1] C[NH+](C)C[C@H](C[*:1])n1c(CCl)nc2cnccc21
CC(C)C[C@@H](C[NH+](C)C)n1c(CCl)nc2cnccc21 CC(C)C[*:1] C[NH+](C)C[C@@H](n1c(CCl)nc2cnccc21)[*:1]
CCSc1nnc(NC(=O)c2sc3cccc(F)c3c2C)s1 CCS[*:1] Cc1c(sc2cccc(F)c12)C(=O)Nc1nnc(s1)[*:1]
Cc1cnc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cn1 Cc1cnc(cn1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)NC(=O)c1ccncc1
Cc1cnc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cn1 c1cc(ccn1)[*:1] Cc1cnc(cn1)C(=O)N[C@H](C)c1ccc(cc1)NC(=O)[*:1]
Cc1cnc(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cn1 O=C(N[*:1])c1ccncc1 Cc1cnc(cn1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CC(=O)N1CCc2cc(NC(=O)c3ccccc3O)ccc21 Oc1ccccc1[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)[*:1]
N#C[C@@H]1C(=O)N=C2C(=C1c1ccccc1Cl)CCc1ccccc12 Clc1ccccc1[*:1] N#C[C@@H]1C(=O)N=C2C(CCc3ccccc32)=C1[*:1]
O=C(c1ccccc1Cl)N(Cc1ccccc1F)C[C@H]1CCCO1 Fc1ccccc1C[*:1] O=C(c1ccccc1Cl)N(C[C@H]1CCCO1)[*:1]
O=C(c1ccccc1Cl)N(Cc1ccccc1F)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(c1ccccc1Cl)N(Cc1ccccc1F)[*:1]
O=C(c1ccccc1Cl)N(Cc1ccccc1F)C[C@H]1CCCO1 Fc1ccccc1[*:1] O=C(c1ccccc1Cl)N(C[C@H]1CCCO1)C[*:1]
O=C(c1ccccc1Cl)N(Cc1ccccc1F)C[C@H]1CCCO1 Clc1ccccc1[*:1] O=C(N(Cc1ccccc1F)C[C@H]1CCCO1)[*:1]
C[C@@H](CCN1CCOCC1)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 C1CN(CCO1)CC[*:1] C[C@@H]([NH2+][C@H](C)c1cccc(c1)N1CCOC1=O)[*:1]
C[C@@H](CCN1CCOCC1)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 C1CN(CCO1)C[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)c1cccc(c1)N1CCOC1=O
C[C@@H](CCN1CCOCC1)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C[C@@H](CCN1CCOCC1)[NH2+][C@H](C)c1cccc(c1)[*:1]
C[C@@H](CCN1CCOCC1)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 C1CN(CCO1)[*:1] C[C@@H](CC[*:1])[NH2+][C@H](C)c1cccc(c1)N1CCOC1=O
Cc1ccc(NC(=O)c2cnn(CC(C)C)c2C(F)F)c(N(C)C)n1 CC(C)[*:1] Cc1ccc(NC(=O)c2cnn(C[*:1])c2C(F)F)c(n1)N(C)C
Cc1ccc(NC(=O)c2cnn(CC(C)C)c2C(F)F)c(N(C)C)n1 FC(F)[*:1] Cc1ccc(NC(=O)c2cnn(CC(C)C)c2[*:1])c(n1)N(C)C
Cc1ccc(NC(=O)c2cnn(CC(C)C)c2C(F)F)c(N(C)C)n1 CC(C)C[*:1] Cc1ccc(NC(=O)c2cnn(c2C(F)F)[*:1])c(n1)N(C)C
Cc1ccc(NC(=O)c2cnn(CC(C)C)c2C(F)F)c(N(C)C)n1 CN(C)[*:1] Cc1ccc(NC(=O)c2cnn(CC(C)C)c2C(F)F)c(n1)[*:1]
Oc1ccc(Br)c(CNc2cnn(C[C@H]3CCCO3)c2)c1 C1CO[C@H](C1)[*:1] Oc1ccc(Br)c(c1)CNc1cnn(c1)C[*:1]
Oc1ccc(Br)c(CNc2cnn(C[C@H]3CCCO3)c2)c1 C1CO[C@H](C1)C[*:1] Oc1ccc(Br)c(c1)CNc1cnn(c1)[*:1]
CCn1cc[nH+]c(N2CC[C@@H](COCc3ccccc3)C2)c1=O c1ccc(cc1)[*:1] CCn1cc[nH+]c(c1=O)N1CC[C@@H](COC[*:1])C1
CCn1cc[nH+]c(N2CC[C@@H](COCc3ccccc3)C2)c1=O c1ccc(cc1)C[*:1] CCn1cc[nH+]c(c1=O)N1CC[C@@H](CO[*:1])C1
CC(C)[C@@H](CCl)Cc1cccc(O)c1 CC(C)[*:1] Oc1cccc(c1)C[C@H](CCl)[*:1]
CC(C)(C)OC1CC[NH+](CCn2c(=O)oc3cccnc32)CC1 CC(C)(C)O[*:1] O=c1oc2cccnc2n1CC[NH+]1CCC(CC1)[*:1]
CC(C)(C)OC1CC[NH+](CCn2c(=O)oc3cccnc32)CC1 CC(C)(C)[*:1] O=c1oc2cccnc2n1CC[NH+]1CCC(CC1)O[*:1]
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N[C@@H](C)c1cccc(Cl)c1)C2=O Clc1cccc(c1)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N[C@@H](C)[*:1])C2=O
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N[C@@H](C)c1cccc(Cl)c1)C2=O C[C@@H](c1cccc(Cl)c1)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N[*:1])C2=O
CCCS(=O)(=O)N1CCN(C(=O)[C@@H]2C=C(c3ccc(C)c(C)c3)N=N2)CC1 Cc1ccc(cc1C)[*:1] CCCS(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C=C(N=N1)[*:1]
CCCS(=O)(=O)N1CCN(C(=O)[C@@H]2C=C(c3ccc(C)c(C)c3)N=N2)CC1 CCC[*:1] Cc1ccc(cc1C)C1=C[C@H](N=N1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C[NH2+]C[C@@H](Cc1nc(C)cs1)c1ccc(Br)cc1 Cc1csc(n1)[*:1] C[NH2+]C[C@@H](C[*:1])c1ccc(Br)cc1
Cc1cccc([C@@H](C)NC[C@@H](C)c2c(C)noc2C)c1C Cc1noc(C)c1[*:1] Cc1cccc(c1C)[C@@H](C)NC[C@@H](C)[*:1]
Cc1c(OCC2(CS)CCC2)cccc1[N+](=O)[O-] SCC1(CCC1)[*:1] Cc1c(cccc1[N+](=O)[O-])OC[*:1]
Cc1c(OCC2(CS)CCC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])OCC1(CS)CCC1
O=C(NCc1ccncc1)c1cc(COc2c(F)cccc2F)on1 c1cc(ccn1)[*:1] O=C(NC[*:1])c1cc(COc2c(F)cccc2F)on1
O=C(NCc1ccncc1)c1cc(COc2c(F)cccc2F)on1 Fc1cccc(F)c1[*:1] O=C(NCc1ccncc1)c1cc(CO[*:1])on1
O=C(NCc1ccncc1)c1cc(COc2c(F)cccc2F)on1 c1cc(ccn1)C[*:1] O=C(N[*:1])c1cc(COc2c(F)cccc2F)on1
N#C[C@H]1CNCCN1CC(=O)NCc1ccco1 c1coc(c1)[*:1] N#C[C@H]1CNCCN1CC(=O)NC[*:1]
N#C[C@H]1CNCCN1CC(=O)NCc1ccco1 c1coc(c1)C[*:1] N#C[C@H]1CNCCN1CC(=O)N[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)c1cn(nc1-c1cccnc1)[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(NCC[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
NS(=O)(=O)c1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
NS(=O)(=O)c1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 c1cncc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)c1cn(nc1[*:1])-c1ccccc1
Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C)c1[N+](=O)[O-] Clc1ccc(cc1Cl)[*:1] Cc1nn(Cc2ccc(cc2)C(=O)N[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1[*:1]
CC(C)OC(=O)CSc1nnc(C(F)(F)F)n1-c1ccccc1 CC(C)[*:1] O=C(CSc1nnc(n1-c1ccccc1)C(F)(F)F)O[*:1]
CC(C)OC(=O)CSc1nnc(C(F)(F)F)n1-c1ccccc1 CC(C)OC(=O)C[*:1] FC(F)(F)c1nnc(S[*:1])n1-c1ccccc1
CC(C)OC(=O)CSc1nnc(C(F)(F)F)n1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)OC(=O)CSc1nnc(n1[*:1])C(F)(F)F
CC(C)OC(=O)CSc1nnc(C(F)(F)F)n1-c1ccccc1 FC(F)(F)[*:1] CC(C)OC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
CC(C)OC(=O)CSc1nnc(C(F)(F)F)n1-c1ccccc1 CC(C)OC(=O)[*:1] FC(F)(F)c1nnc(SC[*:1])n1-c1ccccc1
CC[C@H](C)[C@H](C#N)S(=O)(=O)c1ccccc1Cl CC[C@H](C)[*:1] N#C[C@H](S(=O)(=O)c1ccccc1Cl)[*:1]
CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ccn(n1)[*:1]
CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ccn(-c2ccc(F)cc2)n1 CC(C)C[*:1] C[C@H](C(=O)N[*:1])[S@](=O)Cc1ccn(n1)-c1ccc(F)cc1
CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ccn(-c2ccc(F)cc2)n1 CC(C)CNC(=O)[*:1] C[C@@H]([S@](=O)Cc1ccn(n1)-c1ccc(F)cc1)[*:1]
CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ccn(-c2ccc(F)cc2)n1 CC(C)[*:1] C[C@H](C(=O)NC[*:1])[S@](=O)Cc1ccn(n1)-c1ccc(F)cc1
COc1ccc([C@@H](C)COC(=O)c2csc(-c3ncccn3)n2)cc1 c1cnc(nc1)[*:1] COc1ccc(cc1)[C@@H](C)COC(=O)c1csc(n1)[*:1]
COc1ccc([C@@H](C)COC(=O)c2csc(-c3ncccn3)n2)cc1 COc1ccc(cc1)[*:1] C[C@@H](COC(=O)c1csc(n1)-c1ncccn1)[*:1]
COCc1c(C(=O)NNC(=O)COc2ccc(C)c(C)c2)sc2cccc(F)c12 Cc1ccc(cc1C)O[*:1] COCc1c(sc2cccc(F)c12)C(=O)NNC(=O)C[*:1]
COCc1c(C(=O)NNC(=O)COc2ccc(C)c(C)c2)sc2cccc(F)c12 Cc1ccc(cc1C)[*:1] COCc1c(sc2cccc(F)c12)C(=O)NNC(=O)CO[*:1]
COCc1c(C(=O)NNC(=O)COc2ccc(C)c(C)c2)sc2cccc(F)c12 COC[*:1] Cc1ccc(cc1C)OCC(=O)NNC(=O)c1sc2cccc(F)c2c1[*:1]
CSC[C@H](C)C(=O)NCC1CCC(C)(C)CC1 CSC[*:1] C[C@H](C(=O)NCC1CCC(C)(C)CC1)[*:1]
CSC[C@H](C)C(=O)NCC1CCC(C)(C)CC1 CSC[C@H](C)[*:1] CC1(C)CCC(CC1)CNC(=O)[*:1]
CCOc1ccccc1CNC(=O)c1ccc(-c2ccncc2)[nH]c1=O CCO[*:1] O=C(NCc1ccccc1[*:1])c1ccc([nH]c1=O)-c1ccncc1
CCOc1ccccc1CNC(=O)c1ccc(-c2ccncc2)[nH]c1=O c1cc(ccn1)[*:1] CCOc1ccccc1CNC(=O)c1ccc([nH]c1=O)[*:1]
C[C@H](CCO)NC(=O)N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 C[C@H](CCO)[*:1] O=C(N[C@H](c1cccnc1)c1cccc(c1)C(F)(F)F)N[*:1]
C[C@H](CCO)NC(=O)N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 c1cncc(c1)[*:1] C[C@H](CCO)NC(=O)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
C[C@H](CCO)NC(=O)N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 OCC[*:1] C[C@H](NC(=O)N[C@H](c1cccnc1)c1cccc(c1)C(F)(F)F)[*:1]
C[C@H](CCO)NC(=O)N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](CCO)NC(=O)N[C@H](c1cccnc1)c1cccc(c1)[*:1]
CCCOc1cccc(C[NH2+][C@H]2CCCCC2(C)C)c1 CCCO[*:1] CC1(C)CCCC[C@@H]1[NH2+]Cc1cccc(c1)[*:1]
CCCOc1cccc(C[NH2+][C@H]2CCCCC2(C)C)c1 CCC[*:1] CC1(C)CCCC[C@@H]1[NH2+]Cc1cccc(c1)O[*:1]
CCOc1ccccc1[C@@]1(O)C[C@H]1C CCO[*:1] C[C@@H]1C[C@]1(O)c1ccccc1[*:1]
O=C(Nc1cc(F)ccc1F)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1 c1cc(c2nonc2c1)[*:1] O=C(Nc1cc(F)ccc1F)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1cc(F)ccc1F)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1 Fc1ccc(F)c(c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cccc2nonc12
Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccsc2)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccnn1C[*:1]
Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccsc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Nc1ccnn1Cc1ccsc1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccsc2)cc1 c1cc(cs1)C[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccnn1[*:1]
Cc1ccc(/C=C/S(=O)(=O)Oc2ccc(C#N)cc2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(cc1)OS(=O)(=O)C=C[*:1]
O=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1ccc(F)cc1Cl Fc1cccc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc(F)cc1Cl
O=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C(CSc1nnc(o1)-c1cccc(F)c1)N[*:1]
CCCNC(=O)c1cccc(NC(=O)N[C@](C)(CO)C2CCCCC2)c1 CCC[*:1] C[C@](CO)(NC(=O)Nc1cccc(c1)C(=O)N[*:1])C1CCCCC1
CCCNC(=O)c1cccc(NC(=O)N[C@](C)(CO)C2CCCCC2)c1 C1CCC(CC1)[*:1] CCCNC(=O)c1cccc(c1)NC(=O)N[C@](C)(CO)[*:1]
CCCNC(=O)c1cccc(NC(=O)N[C@](C)(CO)C2CCCCC2)c1 CCCNC(=O)[*:1] C[C@](CO)(NC(=O)Nc1cccc(c1)[*:1])C1CCCCC1
Cc1nn(C2CCCCC2)c(C)c1C[C@@H](C)C[NH2+]C1CC1 C1CC1[*:1] Cc1nn(c(C)c1C[C@@H](C)C[NH2+][*:1])C1CCCCC1
Cc1nn(C2CCCCC2)c(C)c1C[C@@H](C)C[NH2+]C1CC1 C1CCC(CC1)[*:1] Cc1nn(c(C)c1C[C@@H](C)C[NH2+]C1CC1)[*:1]
O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@H]1COc2ccc(F)cc2C1 c1cn(cn1)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])[C@H]1COc2ccc(F)cc2C1
Cc1ccc(C)c2c1s/c(=N/C(=O)CCCS(=O)(=O)c1ccc(F)cc1)n2C Fc1ccc(cc1)[*:1] Cc1ccc(C)c2c1s/c(=N/C(=O)CCCS(=O)(=O)[*:1])n2C
COc1ccc(Cl)c2sc(N3CCN(c4nc5c(S(C)(=O)=O)cccc5s4)CC3)nc12 CS(=O)(=O)[*:1] COc1ccc(Cl)c2sc(nc12)N1CCN(CC1)c1nc2c(cccc2s1)[*:1]
CC(C)(C)n1cc(NCc2cccc(-c3ccncc3)c2)cn1 CC(C)(C)[*:1] c1cc(cc(c1)-c1ccncc1)CNc1cnn(c1)[*:1]
CC(C)(C)n1cc(NCc2cccc(-c3ccncc3)c2)cn1 c1cc(ccn1)[*:1] CC(C)(C)n1cc(cn1)NCc1cccc(c1)[*:1]
C[C@@H]1CCN(C(=O)CCc2cccs2)C[C@@H]1O c1csc(c1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)CC[*:1]
CC(C)CO[C@H](C)C(=O)N[C@H](c1ccccc1)c1cccs1 CC(C)CO[*:1] C[C@H](C(=O)N[C@H](c1ccccc1)c1cccs1)[*:1]
CC(C)CO[C@H](C)C(=O)N[C@H](c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] CC(C)CO[C@H](C)C(=O)N[C@H](c1cccs1)[*:1]
CC(C)CO[C@H](C)C(=O)N[C@H](c1ccccc1)c1cccs1 CC(C)[*:1] C[C@@H](OC[*:1])C(=O)N[C@H](c1ccccc1)c1cccs1
CC(C)CO[C@H](C)C(=O)N[C@H](c1ccccc1)c1cccs1 c1csc(c1)[*:1] CC(C)CO[C@H](C)C(=O)N[C@H](c1ccccc1)[*:1]
CC(C)CO[C@H](C)C(=O)N[C@H](c1ccccc1)c1cccs1 CC(C)C[*:1] C[C@@H](O[*:1])C(=O)N[C@H](c1ccccc1)c1cccs1
CC(C)CO[C@H](C)C(=O)N[C@H](c1ccccc1)c1cccs1 CC(C)CO[C@H](C)[*:1] O=C(N[C@H](c1ccccc1)c1cccs1)[*:1]
CCc1ncnc(NCc2ccccc2-n2ccnc2)c1F c1cn(cn1)[*:1] CCc1ncnc(NCc2ccccc2[*:1])c1F
O=C(N[C@H]1CCN(CC(F)(F)F)C1)[C@H]1Cc2cc(F)ccc2O1 FC(F)(F)[*:1] O=C(N[C@H]1CCN(C1)C[*:1])[C@H]1Cc2cc(F)ccc2O1
O=C(N[C@H]1CCN(CC(F)(F)F)C1)[C@H]1Cc2cc(F)ccc2O1 FC(F)(F)C[*:1] O=C(N[C@H]1CCN(C1)[*:1])[C@H]1Cc2cc(F)ccc2O1
O=C(O[C@@H](c1ccccc1)c1ccccn1)c1coc(Br)c1 Brc1cc(co1)[*:1] O=C(O[C@@H](c1ccccc1)c1ccccn1)[*:1]
O=C(O[C@@H](c1ccccc1)c1ccccn1)c1coc(Br)c1 c1ccc(nc1)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])c1coc(Br)c1
O=C(O[C@@H](c1ccccc1)c1ccccn1)c1coc(Br)c1 c1ccc(cc1)[*:1] O=C(O[C@@H](c1ccccn1)[*:1])c1coc(Br)c1
O=C(Oc1ccccc1)c1cccc2ncccc12 c1ccc(cc1)[*:1] O=C(O[*:1])c1cccc2ncccc12
C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3ccnn3)cc2)[C@H](C)C1 c1cn(nn1)[*:1] C[C@@H]1CC[C@@H](NC(=O)c2ccc(cc2)[*:1])[C@H](C)C1
Cc1cccc(C(=O)Nc2ccc(SCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)c1 Cc1cccc(c1)[*:1] CC(C)n1cnc2nc(cc(=O)n21)CSc1ccc(cc1)NC(=O)[*:1]
Cc1cccc(C(=O)Nc2ccc(SCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)c1 Cc1cccc(c1)C(=O)N[*:1] CC(C)n1cnc2nc(cc(=O)n21)CSc1ccc(cc1)[*:1]
Cc1cccc(C(=O)Nc2ccc(SCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)SCc1cc(=O)n2c(ncn2[*:1])n1
CC[NH+]1CCN(CCOc2ccc(CC#N)cc2)CC1 N#CC[*:1] CC[NH+]1CCN(CCOc2ccc(cc2)[*:1])CC1
CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(F)cc1C(F)(F)F FC(F)(F)[*:1] CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(F)cc1[*:1]
Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCn2cccc2[C@H]1[*:1]
Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 CC(C)C[*:1] Cc1nn(c(C)c1CCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1)[*:1]
Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 CC(C)[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccc(cc3)[*:1])c2c(=O)n1C[C@H]1CCCO1
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 C1CO[C@H](C1)C[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccc(cc3)C(C)C)c2c(=O)n1[*:1]
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 C1CO[C@H](C1)[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccc(cc3)C(C)C)c2c(=O)n1C[*:1]
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 CC(C)c1ccc(cc1)[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c2c(=O)n1C[C@H]1CCCO1)[*:1]
NS(=O)(=O)c1ccc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NS(=O)(=O)c1ccc(c(c1)[*:1])N1CCN(CC1)Cc1cn2ccccc2[nH+]1
NS(=O)(=O)c1ccc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c([N+](=O)[O-])c1 NS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1N1CCN(CC1)Cc1cn2ccccc2[nH+]1)[*:1]
COC(=O)[C@H]1C[S@](=O)C[C@H](C2(C)CC2)N1 CC1(CC1)[*:1] COC(=O)[C@H]1C[S@](=O)C[C@H](N1)[*:1]
COC(=O)[C@H]1C[S@](=O)C[C@H](C2(C)CC2)N1 COC(=O)[*:1] CC1(CC1)[C@H]1C[S@@](=O)C[C@@H](N1)[*:1]
Cc1ccc(NC(=O)NCCn2c(=O)oc3ccccc32)s1 Cc1ccc(s1)[*:1] O=C(NCCn1c(=O)oc2ccccc21)N[*:1]
CC(=O)Nc1ccccc1OCC(=O)N1CCN(C(=O)c2cccs2)CC1 CC(=O)N[*:1] O=C(COc1ccccc1[*:1])N1CCN(CC1)C(=O)c1cccs1
CC(=O)Nc1ccccc1OCC(=O)N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] CC(=O)Nc1ccccc1OCC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1oc(C(=O)N[C@H]2COc3ccccc32)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] Cc1oc(cc1[*:1])C(=O)N[C@H]1COc2ccccc21
CCCNC(=O)CCC(=O)N(C)C1c2ccccc2-c2ccccc21 CCCNC(=O)[*:1] CN(C(=O)CC[*:1])C1c2ccccc2-c2ccccc21
CCCNC(=O)CCC(=O)N(C)C1c2ccccc2-c2ccccc21 CCCNC(=O)CC[*:1] CN(C(=O)[*:1])C1c2ccccc2-c2ccccc21
CCCNC(=O)CCC(=O)N(C)C1c2ccccc2-c2ccccc21 CCCNC(=O)C[*:1] CN(C(=O)C[*:1])C1c2ccccc2-c2ccccc21
CCCNC(=O)CCC(=O)N(C)C1c2ccccc2-c2ccccc21 CCC[*:1] CN(C(=O)CCC(=O)N[*:1])C1c2ccccc2-c2ccccc21
Cc1sc(CCNC(=O)c2cccnc2Cl)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(CCNC(=O)c2cccnc2Cl)nc1[*:1]
Cc1sc(CCNC(=O)c2cccnc2Cl)nc1-c1ccccc1 Clc1ncccc1[*:1] Cc1sc(CCNC(=O)[*:1])nc1-c1ccccc1
COC[C@H](C)N1C(=O)c2ccc(C(=O)N3CC[C@H](C)C[C@@H]3C)cc2C1=O COC[*:1] C[C@H]1CCN(C(=O)c2ccc3C(=O)N(C(=O)c3c2)[C@@H](C)[*:1])[C@@H](C)C1
COC[C@H](C)N1C(=O)c2ccc(C(=O)N3CC[C@H](C)C[C@@H]3C)cc2C1=O COC[C@H](C)[*:1] C[C@H]1CCN(C(=O)c2ccc3C(=O)N(C(=O)c3c2)[*:1])[C@@H](C)C1
O[C@@H](CN(Cc1c(F)cccc1F)C1CC1)c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](CN(Cc1c(F)cccc1F)C1CC1)[*:1]
O[C@@H](CN(Cc1c(F)cccc1F)C1CC1)c1ccccc1 C1CC1[*:1] O[C@@H](CN(Cc1c(F)cccc1F)[*:1])c1ccccc1
Cc1cc(C)n(Cc2cc(C(=O)N3CCC[NH+](C)CC3)n[nH]2)n1 Cc1cc(C)n(n1)[*:1] C[NH+]1CCCN(CC1)C(=O)c1cc(C[*:1])[nH]n1
Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccnc(c1)O[*:1]
Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccnc(c1)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccnc(OC(C)(C)C)c1 c1cncc(c1)[*:1] Cc1nn(C)c(O[*:1])c1NC(=O)c1ccnc(c1)OC(C)(C)C
Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccnc(OC(C)(C)C)c1 c1cncc(c1)O[*:1] Cc1nn(C)c(c1NC(=O)c1ccnc(c1)OC(C)(C)C)[*:1]
COc1ccccc1-n1ccn(Cc2cc(F)ccc2F)c(=O)c1=O Fc1ccc(F)c(c1)[*:1] COc1ccccc1-n1ccn(C[*:1])c(=O)c1=O
COc1ccccc1-n1ccn(Cc2cc(F)ccc2F)c(=O)c1=O COc1ccccc1[*:1] O=c1c(=O)n(ccn1Cc1cc(F)ccc1F)[*:1]
C[C@@H](NC(N)=O)C(=O)N1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](NC(N)=O)C(=O)N1CCC(CC1)[*:1]
C[C@@H](NC(N)=O)C(=O)N1CCC(c2ccccc2)CC1 C[C@@H](NC(N)=O)[*:1] O=C(N1CCC(CC1)c1ccccc1)[*:1]
C[C@@H](NC(N)=O)C(=O)N1CCC(c2ccccc2)CC1 NC(=O)N[*:1] C[C@@H](C(=O)N1CCC(CC1)c1ccccc1)[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)N1CC[NH+](CCc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)N1CC[NH+](CC1)CC[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)N1CC[NH+](CCc2ccccn2)CC1 c1ccc(CC[*:1])nc1 O=C(Cc1n[nH]c(=O)c2ccccc12)N1CC[NH+](CC1)[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)N1CC[NH+](CCc2ccccn2)CC1 c1ccc(C[*:1])nc1 O=C(Cc1n[nH]c(=O)c2ccccc12)N1CC[NH+](CC1)C[*:1]
CC(C)C[C@@H]1COCCN1C(=O)c1cc(Cl)nc(N2CCCC2)c1 C1CCN(C1)[*:1] CC(C)C[C@@H]1COCCN1C(=O)c1cc(Cl)nc(c1)[*:1]
CC(C)C[C@@H]1COCCN1C(=O)c1cc(Cl)nc(N2CCCC2)c1 CC(C)C[*:1] O=C(c1cc(Cl)nc(c1)N1CCCC1)N1CCOC[C@H]1[*:1]
CC(C)C[C@@H]1COCCN1C(=O)c1cc(Cl)nc(N2CCCC2)c1 CC(C)[*:1] O=C(c1cc(Cl)nc(c1)N1CCCC1)N1CCOC[C@H]1C[*:1]
Cc1ccccc1-c1ncc(CN[C@@H]2CCCN(c3nc4ccccc4s3)C2)cn1 Cc1ccccc1[*:1] c1ccc2sc(nc2c1)N1CCC[C@H](C1)NCc1cnc(nc1)[*:1]
Cc1ccccc1-c1ncc(CN[C@@H]2CCCN(c3nc4ccccc4s3)C2)cn1 c1ccc2sc(nc2c1)[*:1] Cc1ccccc1-c1ncc(cn1)CN[C@@H]1CCCN(C1)[*:1]
Cc1ccc2c(c1)CCCN2C(=O)Cc1csc(COc2ccc(F)cc2)n1 Fc1ccc(cc1)O[*:1] Cc1ccc2c(c1)CCCN2C(=O)Cc1csc(C[*:1])n1
Cc1ccc2c(c1)CCCN2C(=O)Cc1csc(COc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1ccc2c(c1)CCCN2C(=O)Cc1csc(CO[*:1])n1
Cc1ccc2c(c1)CCCN2C(=O)Cc1csc(COc2ccc(F)cc2)n1 Fc1ccc(cc1)OC[*:1] Cc1ccc2c(c1)CCCN2C(=O)Cc1csc(n1)[*:1]
N#Cc1cccnc1N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)CC1 N#Cc1cccnc1[*:1] O=C(NCC1CCN(CC1)[*:1])c1ccc(Cl)cc1Cl
N#Cc1cccnc1N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)CC1 Clc1ccc(c(Cl)c1)[*:1] N#Cc1cccnc1N1CCC(CC1)CNC(=O)[*:1]
CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C)CC2)c(=O)c2cc3c(cc21)OCO3 CC(C)[*:1] CCn1cc(C(=O)N[C@@H](C[*:1])C(=O)N2CCN(C)CC2)c(=O)c2cc3OCOc3cc21
CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C)CC2)c(=O)c2cc3c(cc21)OCO3 CN1CCN(CC1)C(=O)[*:1] CCn1cc(C(=O)N[C@@H](CC(C)C)[*:1])c(=O)c2cc3OCOc3cc21
CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C)CC2)c(=O)c2cc3c(cc21)OCO3 CC(C)C[*:1] CCn1cc(C(=O)N[C@@H](C(=O)N2CCN(C)CC2)[*:1])c(=O)c2cc3OCOc3cc21
CCOC(=O)Nc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 CCOC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2cc(F)ccc2[nH]1
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1F FC(F)(F)[*:1] Cc1ccc(cc1F)S(=O)(=O)[N-]c1ccccc1[*:1]
O=C(CSc1ncn[nH]1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 c1n[nH]c(n1)SC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1)[*:1]
O=C(CSc1ncn[nH]1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 c1n[nH]c(n1)[*:1] O=C(CS[*:1])Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1
O=C(CSc1ncn[nH]1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 c1n[nH]c(n1)S[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1
CC[C@@H](C)[NH+]1CCN(C[C@H](CS)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@H](C)[NH+]1CCN(CC1)C[C@H](CS)[*:1]
O=C1CCCN1CC(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 c1ccc(cc1)[*:1] O=C1CCCN1CC(=O)N1CC[C@H](C1)c1nc(cc(n1)-c1cccnc1)N[*:1]
O=C1CCCN1CC(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 O=C1CCCN1[*:1] O=C(C[*:1])N1CC[C@H](C1)c1nc(cc(n1)-c1cccnc1)Nc1ccccc1
O=C1CCCN1CC(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 c1ccc(cc1)N[*:1] O=C1CCCN1CC(=O)N1CC[C@H](C1)c1nc(cc(n1)[*:1])-c1cccnc1
O=C1CCCN1CC(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 c1cncc(c1)[*:1] O=C1CCCN1CC(=O)N1CC[C@H](C1)c1nc(cc(n1)[*:1])Nc1ccccc1
O=C1CCCN1CC(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 O=C1CCCN1C[*:1] O=C(N1CC[C@H](C1)c1nc(cc(n1)-c1cccnc1)Nc1ccccc1)[*:1]
COc1ccc([N+](=O)[O-])cc1CN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccc(cc1CN1CCN(CC1)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1CN1CCN(c2ccccc2)CC1 O=[N+]([O-])[*:1] COc1ccc(cc1CN1CCN(CC1)c1ccccc1)[*:1]
C=C1CCC[C@@]2(C)CC[C@H]([C@@](C)(O)CO)C[C@H]12 C[C@@](O)(CO)[*:1] C=C1CCC[C@@]2(C)CC[C@H](C[C@H]12)[*:1]
COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@@H](C)[*:1]
COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@@H](C)O[*:1]
COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 COC(=O)[*:1] C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)CN1C[C@@H](C(=O)NCC2(O)CCOCC2)CC1=O CC(C)[*:1] O=C(NCC1(O)CCOCC1)[C@H]1CC(=O)N(C1)C[*:1]
CC(C)CN1C[C@@H](C(=O)NCC2(O)CCOCC2)CC1=O CC(C)C[*:1] O=C(NCC1(O)CCOCC1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)CN1C[C@@H](C(=O)NCC2(O)CCOCC2)CC1=O OC1(CCOCC1)[*:1] CC(C)CN1C[C@H](CC1=O)C(=O)NC[*:1]
C[C@H]1C[C@H](C)CN(C(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)o2)C1 Clc1ccc(cc1)O[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)[C@@H](C)Sc1nnc(C[*:1])o1
C[C@H]1C[C@H](C)CN(C(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)o2)C1 Clc1ccc(cc1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)[C@@H](C)Sc1nnc(CO[*:1])o1
C[C@H]1C[C@H](C)CN(C(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)o2)C1 Clc1ccc(cc1)OC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)[C@@H](C)Sc1nnc(o1)[*:1]
CC(C)(O)CSCCNC(=O)N1CC[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)(O)CSCCNC(=O)N1CC[C@@H](C1)[*:1]
CC(C)(O)CSCCNC(=O)N1CC[C@@H](c2ccccc2)C1 CC(C)(O)[*:1] O=C(NCCSC[*:1])N1CC[C@H](C1)c1ccccc1
CC(C)(O)CSCCNC(=O)N1CC[C@@H](c2ccccc2)C1 CC(C)(O)C[*:1] O=C(NCCS[*:1])N1CC[C@H](C1)c1ccccc1
CC(C)(O)CSCCNC(=O)N1CC[C@@H](c2ccccc2)C1 CC(C)(O)CSC[*:1] O=C(NC[*:1])N1CC[C@H](C1)c1ccccc1
CC(C)(O)CSCCNC(=O)N1CC[C@@H](c2ccccc2)C1 CC(C)(O)CS[*:1] O=C(NCC[*:1])N1CC[C@H](C1)c1ccccc1
CCC[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)C1CC1 C1CC1[*:1] CCC[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)[*:1]
CCC[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)C1CC1 CCC[*:1] OC[C@H]([NH2+][C@H](C1CC1)[*:1])c1ccc(Cl)c(F)c1
CCN1CCN(Cc2c[nH+]cn2C(C)C)[C@H]2CS(=O)(=O)C[C@H]21 CC(C)[*:1] CCN1CCN(Cc2c[nH+]cn2[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CCCCn1c(N)c(N(CC)C(=O)Cc2coc3c(C)c(C)ccc23)c(=O)[nH]c1=O CCCC[*:1] CCN(C(=O)Cc1coc2c(C)c(C)ccc12)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCCCn1c(N)c(N(CC)C(=O)Cc2coc3c(C)c(C)ccc23)c(=O)[nH]c1=O CCC[*:1] CCN(C(=O)Cc1coc2c(C)c(C)ccc12)c1c(N)n(C[*:1])c(=O)[nH]c1=O
Cc1ccc(F)c(NC(=O)C(=O)NCCCc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)NCCC[*:1]
Cc1ccc(F)c(NC(=O)C(=O)NCCCc2c(C)noc2C)c1 Cc1ccc(F)c(c1)[*:1] Cc1noc(C)c1CCCNC(=O)C(=O)N[*:1]
Cc1ccc(F)c(NC(=O)C(=O)NCCCc2c(C)noc2C)c1 Cc1noc(C)c1C[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)NCC[*:1]
CC(C)[C@H]([NH3+])[C@H]1CCc2cccnc21 CC(C)[*:1] [NH3+][C@H]([C@H]1CCc2cccnc21)[*:1]
C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCO2)c1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)C(=O)Nc1ccc2OCCc2c1)[*:1]
CC(C)[n+]1cc(NC(=O)CSc2nc3ccccc3o2)on1 CC(C)[*:1] O=C(CSc1nc2ccccc2o1)Nc1c[n+](no1)[*:1]
OCC1(Cc2ccccc2C(F)(F)F)CCN(Cc2nc3ccccc3s2)CC1 FC(F)(F)[*:1] OCC1(CCN(CC1)Cc1nc2ccccc2s1)Cc1ccccc1[*:1]
OCC1(Cc2ccccc2C(F)(F)F)CCN(Cc2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] OCC1(CCN(CC1)C[*:1])Cc1ccccc1C(F)(F)F
CCCN(CCC)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] O=C([O-])[*:1] CCCN(CCC)c1ccc(cc1[N+](=O)[O-])[*:1]
CCCN(CCC)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCN(CCC)c1ccc(cc1[*:1])C(=O)[O-]
CCCN(CCC)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] CCC[*:1] CCCN(c1ccc(cc1[N+](=O)[O-])C(=O)[O-])[*:1]
C[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1Sc1ncccc1Br Brc1cccnc1[*:1] C[NH2+][C@H]1c2cc(ccc2C[C@@H]1S[*:1])OC
C=CCCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 C=CCC[*:1] O=C(N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
C=CCCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] C=CCCC(=O)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
C=CCCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 C=CCCC(=O)N[*:1] FC(F)(F)c1cccc(c1)[C@H](C1CC1)[*:1]
C=CCCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 C=CC[*:1] O=C(C[*:1])N[C@H](c1cccc(c1)C(F)(F)F)C1CC1
C=CCCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] C=CCCC(=O)N[C@H](c1cccc(c1)[*:1])C1CC1
Cc1[nH]ncc1CCCNC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 Cc1[nH]ncc1[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)NCCC[*:1]
COc1ccc([C@H]2CCCN2C(=O)CNc2cccc(F)c2C)c(OC)c1 Cc1c(F)cccc1N[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)C[*:1]
COc1ccc([C@H]2CCCN2C(=O)CNc2cccc(F)c2C)c(OC)c1 Cc1c(F)cccc1[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)CN[*:1]
C[C@@H]1CN([C@H](C[NH3+])CC(=O)N(C)C)[C@H](C)CO1 CN(C)C(=O)[*:1] C[C@@H]1CN([C@H](C[NH3+])C[*:1])[C@H](C)CO1
O=C(Nc1nccs1)c1ccc2c(c1)-c1ccccc1C2 c1csc(n1)[*:1] O=C(N[*:1])c1ccc2Cc3ccccc3-c2c1
O=C(CCc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 FC(F)(F)c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1
O=C(CCc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 FC(F)(F)[*:1] O=C(CCc1ccc(cc1)[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1
O=C(Nc1cc(Br)c(O)c(Br)c1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1cc(Br)c(O)c(Br)c1)[*:1]
COc1cc(OC)cc(C(=O)Nc2nc3ccccc3n2CCN2CCOCC2)c1 COc1cc(cc(c1)[*:1])OC O=C(Nc1nc2ccccc2n1CCN1CCOCC1)[*:1]
COc1cc(OC)cc(C(=O)Nc2nc3ccccc3n2CCN2CCOCC2)c1 C1CN(CCO1)C[*:1] COc1cc(cc(c1)C(=O)Nc1nc2ccccc2n1C[*:1])OC
COc1cc(OC)cc(C(=O)Nc2nc3ccccc3n2CCN2CCOCC2)c1 C1CN(CCO1)CC[*:1] COc1cc(cc(c1)C(=O)Nc1nc2ccccc2n1[*:1])OC
COc1cc(OC)cc(C(=O)Nc2nc3ccccc3n2CCN2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cc(cc(c1)C(=O)Nc1nc2ccccc2n1CC[*:1])OC
Cc1cccc(OCc2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)c1 Cc1cccc(c1)O[*:1] C[C@H](NC(=O)c1csc(C[*:1])n1)c1ccccc1
Cc1cccc(OCc2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)c1csc(CO[*:1])n1)c1ccccc1
Cc1cccc(OCc2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCc1nc(cs1)C(=O)N[C@@H](C)[*:1]
Cc1cccc(OCc2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)c1 C[C@@H](c1ccccc1)[*:1] Cc1cccc(c1)OCc1nc(cs1)C(=O)N[*:1]
CC[C@H](NC(=O)Nc1ccc(C(C)=O)cc1)c1cccc([N+](=O)[O-])c1 CC(=O)[*:1] CC[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)Nc1ccc(C(C)=O)cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)Nc1ccc(cc1)C(C)=O)c1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2N(C)C)c1 CN(C)C(=O)[*:1] CN(C)c1ccc(Cl)cc1NC(=O)c1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2N(C)C)c1 CN(C)[*:1] CN(C)C(=O)c1cccc(c1)C(=O)Nc1cc(Cl)ccc1[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N1CCCCCC1 COC(=O)[*:1] O=C(CN1C[C@H](O)C[C@H]1[*:1])N1CCCCCC1
C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C[C@H]2C=CCC2)CC1 O=C(N1CCOCC1)[*:1] C[C@H](N1CCN(CC1)C(=O)C[C@H]1C=CCC1)[*:1]
CCCC[C@]1(C)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C1=O CCC[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(C[*:1])C1=O
CCCC[C@]1(C)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C1=O CCCC[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CC(C)N(CCC[NH3+])[C@@H]1CCO[C@]2(CCSC2)C1 CC(C)[*:1] [NH3+]CCCN([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CC(C)N(CCC[NH3+])[C@@H]1CCO[C@]2(CCSC2)C1 [NH3+]CC[*:1] CC(C)N(C[*:1])[C@@H]1CCO[C@]2(CCSC2)C1
CC(C)N(CCC[NH3+])[C@@H]1CCO[C@]2(CCSC2)C1 [NH3+]CCC[*:1] CC(C)N([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
Cc1ccc(NCC(=O)N2CCSc3ccccc32)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NCC(=O)N1CCSc2ccccc21
CNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 CNS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC=CCC1
CCN(CC)C(=O)c1ccc(CN2C(=O)COc3ccc(C)cc32)o1 CCN(CC)C(=O)[*:1] Cc1ccc2OCC(=O)N(Cc3ccc(o3)[*:1])c2c1
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 CC(C)(C)[*:1] NC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2C[C@H](CCc21)[*:1]
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 Clc1ccc(cc1)[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)CO[*:1])c2C(N)=O
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 NC(=O)[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)COc1ccc(Cl)cc1)c2[*:1]
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 Clc1ccc(cc1)O[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)C[*:1])c2C(N)=O
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 Clc1ccc(cc1)OC[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
CC(=O)N1C[C@H](C(=O)Nc2cc(F)ccc2C)Oc2ccccc21 Cc1ccc(F)cc1[*:1] CC(=O)N1C[C@@H](Oc2ccccc21)C(=O)N[*:1]
COc1cc(Cl)c(CN2CCO[C@H](C(N)=O)C2)cc1Cl NC(=O)[*:1] COc1cc(Cl)c(cc1Cl)CN1CCO[C@H](C1)[*:1]
C[C@H](Sc1ncc2ccccn12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H](Sc1ncc2ccccn12)C(=O)Nc1nc(cs1)[*:1]
C[C@H](Sc1ncc2ccccn12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=[N+]([O-])[*:1] C[C@H](Sc1ncc2ccccn12)C(=O)Nc1nc(cs1)-c1cccc(c1)[*:1]
C[C@H](Sc1ncc2ccccn12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 c1ccn2c(ncc2c1)[*:1] C[C@H](S[*:1])C(=O)Nc1nc(cs1)-c1cccc(c1)[N+](=O)[O-]
C=CCn1c(CCO)nc2cc(C)c(C)cc21 C=CC[*:1] Cc1cc2nc(CCO)n(c2cc1C)[*:1]
C=CCn1c(CCO)nc2cc(C)c(C)cc21 OCC[*:1] C=CCn1c(nc2cc(C)c(C)cc21)[*:1]
CCOCCCC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 CCOCC[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)C[*:1]
CCOCCCC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 CCOCCC[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)[*:1]
CCOCCCC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 CCOC[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)CC[*:1]
CCOCCCC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 CCO[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)CCC[*:1]
O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O)C(=O)Nc1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(Cc1nc2ccc(cc2[nH]c1=O)C(=O)[*:1])C(=O)Nc1ccc(Br)cc1
O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Cc1nc2ccc(cc2[nH]c1=O)C(=O)c1ccccc1)C(=O)N[*:1]
O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O)C(=O)Nc1ccc(Br)cc1 O=C(c1ccccc1)[*:1] O=C(Cc1nc2ccc(cc2[nH]c1=O)[*:1])C(=O)Nc1ccc(Br)cc1
O=c1ncn(CCc2c[nH]c3ccccc23)cc1-c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] O=c1ncn(cc1-c1ncc(cc1Cl)[*:1])CCc1c[nH]c2ccccc12
O=c1ncn(CCc2c[nH]c3ccccc23)cc1-c1ncc(C(F)(F)F)cc1Cl c1ccc2c(c[nH]c2c1)[*:1] O=c1ncn(cc1-c1ncc(cc1Cl)C(F)(F)F)CC[*:1]
Cc1ccc(/C=C/S(=O)(=O)NCC#CCOc2ccc(C)nc2)cc1 Cc1ccc(cn1)[*:1] Cc1ccc(/C=C/S(=O)(=O)NCC#CCO[*:1])cc1
Cc1ccc(/C=C/S(=O)(=O)NCC#CCOc2ccc(C)nc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cn1)OCC#CCNS(=O)(=O)C=C[*:1]
Cc1ccc(/C=C/S(=O)(=O)NCC#CCOc2ccc(C)nc2)cc1 Cc1ccc(cn1)O[*:1] Cc1ccc(/C=C/S(=O)(=O)NCC#CC[*:1])cc1
Cc1ccc2nc(CSCC(=O)NCCc3ccccc3F)cn2c1 Fc1ccccc1C[*:1] Cc1ccc2nc(cn2c1)CSCC(=O)NC[*:1]
Cc1ccc2nc(CSCC(=O)NCCc3ccccc3F)cn2c1 Fc1ccccc1[*:1] Cc1ccc2nc(cn2c1)CSCC(=O)NCC[*:1]
O=C(NCC(=O)N1CCCC[C@H]1CCO)c1ccccn1 c1ccc(nc1)[*:1] O=C(CNC(=O)[*:1])N1CCCC[C@H]1CCO
O=C(NCC(=O)N1CCCC[C@H]1CCO)c1ccccn1 OCC[*:1] O=C(NCC(=O)N1CCCC[C@@H]1[*:1])c1ccccn1
CCc1cccc(OCC(=O)N/N=C/c2ccc(C(=O)[O-])cc2)c1 CCc1cccc(c1)[*:1] O=C(CO[*:1])N/N=C/c1ccc(cc1)C(=O)[O-]
CCc1cccc(OCC(=O)N/N=C/c2ccc(C(=O)[O-])cc2)c1 O=C([O-])[*:1] CCc1cccc(c1)OCC(=O)N/N=C/c1ccc(cc1)[*:1]
Cc1cc(C)cc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)c1 Cc1cc(C)cc(c1)[*:1] Cc1ccc2nc(cc(=O)n2c1)CSc1nnc(NC(=O)N[*:1])s1
CC[NH2+][C@]1(C(N)=O)CC[C@H](N2Cc3ccccc3C2)C1 NC(=O)[*:1] CC[NH2+][C@@]1(CC[C@@H](C1)N1Cc2ccccc2C1)[*:1]
C/C(=C/C(=O)N[C@@H](CO)c1ccco1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C/C(=C/C(=O)N[C@@H](CO)c1ccco1)c1cccc(c1)[*:1]
C/C(=C/C(=O)N[C@@H](CO)c1ccco1)c1cccc(C(F)(F)F)c1 c1coc(c1)[*:1] C/C(=C/C(=O)N[C@@H](CO)[*:1])c1cccc(c1)C(F)(F)F
Cc1c(C(=O)N2CCCC[C@H]2C)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 c1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NS(=O)(=O)[*:1])c21)C(=O)N1CCCC[C@H]1C
Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)c3ccccc3)c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1c(=O)n(c(=O)c2oc3ccccc3c21)[*:1])c1ccccc1
Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)c3ccccc3)c2=O)cc1 O=C(C[*:1])c1ccccc1 Cc1ccc(cc1)-n1c(=O)c2oc3ccccc3c2n(c1=O)[*:1]
Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)c3ccccc3)c2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(=O)c2oc3ccccc3c2n(CC(=O)[*:1])c1=O
Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)c3ccccc3)c2=O)cc1 O=C(c1ccccc1)[*:1] Cc1ccc(cc1)-n1c(=O)c2oc3ccccc3c2n(C[*:1])c1=O
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)C)cc12 CN(C)C(=O)[*:1] Cc1nn(-c2ccc(Cl)cc2)c2sc(cc12)[*:1]
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)C)cc12 Clc1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)N(C)C)[*:1]
NC(=O)c1ccc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)nn1 NC(=O)[*:1] Fc1ccc(cc1Cl)[C@H]1CN(CCO1)c1ccc(nn1)[*:1]
CCN1CCN(C(=O)CC2CC[NH+](Cc3nc(C)cs3)CC2)CC1 Cc1csc(n1)[*:1] CCN1CCN(CC1)C(=O)CC1CC[NH+](CC1)C[*:1]
CCN1CCN(C(=O)CC2CC[NH+](Cc3nc(C)cs3)CC2)CC1 Cc1csc(C[*:1])n1 CCN1CCN(CC1)C(=O)CC1CC[NH+](CC1)[*:1]
OCc1ccc2c(c1)C[NH+](Cc1ccccc1)C2 c1ccc(cc1)[*:1] OCc1ccc2C[NH+](Cc2c1)C[*:1]
C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCc2ccc(cc2)[*:1])CC1
C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 O=C(N1CCOCC1)[*:1] C[C@@H](N1CC[NH+](CCc2ccc(cc2)[N+](=O)[O-])CC1)[*:1]
C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CC1)CC[*:1]
CC(C)c1ccc([C@H](NC(=O)NCc2nnc3n2CCC3)C(C)C)cc1 CC(C)[*:1] CC(C)[C@@H](NC(=O)NCc1nnc2CCCn21)c1ccc(cc1)[*:1]
CC(C)c1ccc([C@H](NC(=O)NCc2nnc3n2CCC3)C(C)C)cc1 C1Cc2nnc(n2C1)[*:1] CC(C)c1ccc(cc1)[C@H](NC(=O)NC[*:1])C(C)C
CC(C)c1ccc([C@H](NC(=O)NCc2nnc3n2CCC3)C(C)C)cc1 CC(C)[*:1] CC(C)c1ccc(cc1)[C@H](NC(=O)NCc1nnc2CCCn21)[*:1]
CCC[C@@H](C#N)[C@@H](O)c1cc(F)c(F)c(F)c1 CCC[*:1] N#C[C@@H]([C@@H](O)c1cc(F)c(F)c(F)c1)[*:1]
O=C(NCc1cccc(F)c1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 Fc1cccc(c1)[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)N1CCCCc2ccccc21
O=C(NCc1cccc(F)c1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 Fc1cccc(c1)C[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)N1CCCCc2ccccc21
O=C(c1ncccc1C(F)(F)F)N1CC[NH+](C2CCCCC2)CC1 FC(F)(F)[*:1] O=C(c1ncccc1[*:1])N1CC[NH+](CC1)C1CCCCC1
O=C(c1ncccc1C(F)(F)F)N1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(c1ncccc1C(F)(F)F)N1CC[NH+](CC1)[*:1]
C[C@@H]1c2ccsc2CCN1C(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@@H]1c2ccsc2CCN1C(=O)[*:1]
CCN(CC1CC1)C(=O)[C@@H](c1ccccc1)N1CCSCC1 C1CC1[*:1] CCN(C[*:1])C(=O)[C@@H](c1ccccc1)N1CCSCC1
CCN(CC1CC1)C(=O)[C@@H](c1ccccc1)N1CCSCC1 c1ccc(cc1)[*:1] CCN(CC1CC1)C(=O)[C@@H](N1CCSCC1)[*:1]
CCN(CC1CC1)C(=O)[C@@H](c1ccccc1)N1CCSCC1 C1CC1C[*:1] CCN(C(=O)[C@@H](c1ccccc1)N1CCSCC1)[*:1]
CCN(CC1CC1)C(=O)[C@@H](c1ccccc1)N1CCSCC1 C1CN(CCS1)[*:1] CCN(CC1CC1)C(=O)[C@@H](c1ccccc1)[*:1]
C[C@@]12CC(=O)N[C@H]1N(C(=O)c1ccccc1)[C@@H](c1ccccc1OC(=O)c1ccccc1)C2 c1ccc(cc1)[*:1] C[C@@]12CC(=O)N[C@H]1N(C(=O)[*:1])[C@H](C2)c1ccccc1OC(=O)c1ccccc1
C[C@@]12CC(=O)N[C@H]1N(C(=O)c1ccccc1)[C@@H](c1ccccc1OC(=O)c1ccccc1)C2 c1ccc(cc1)[*:1] C[C@@]12CC(=O)N[C@H]1N(C(=O)c1ccccc1)[C@H](C2)c1ccccc1OC(=O)[*:1]
C[C@@]12CC(=O)N[C@H]1N(C(=O)c1ccccc1)[C@@H](c1ccccc1OC(=O)c1ccccc1)C2 O=C(O[*:1])c1ccccc1 C[C@@]12CC(=O)N[C@H]1N(C(=O)c1ccccc1)[C@H](C2)c1ccccc1[*:1]
Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)[*:1]
Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)c(C)c1 C1CCC(CC1)[*:1] Cc1ccc(c(C)c1)N(C(=O)c1csnn1)[C@@H](C(=O)N[*:1])c1ccncc1
Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)c(C)c1 c1snnc1[*:1] Cc1ccc(c(C)c1)N(C(=O)[*:1])[C@@H](C(=O)NC1CCCCC1)c1ccncc1
Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)c(C)c1 c1cc(ccn1)[*:1] Cc1ccc(c(C)c1)N(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)[*:1]
Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)c(C)c1 O=C(NC1CCCCC1)[*:1] Cc1ccc(c(C)c1)N(C(=O)c1csnn1)[C@@H](c1ccncc1)[*:1]
O=C([O-])c1c(S(=O)(=O)N2CCO[C@@H](CCO)C2)sc2c1CC[NH2+]C2 O=C([O-])[*:1] O=S(=O)(c1sc2C[NH2+]CCc2c1[*:1])N1CCO[C@@H](CCO)C1
O=C([O-])c1c(S(=O)(=O)N2CCO[C@@H](CCO)C2)sc2c1CC[NH2+]C2 OCC[*:1] O=C([O-])c1c(sc2C[NH2+]CCc21)S(=O)(=O)N1CCO[C@@H](C1)[*:1]
COC(=O)c1ccc(COc2ccc(Cl)cc2C(N)=O)o1 NC(=O)[*:1] COC(=O)c1ccc(COc2ccc(Cl)cc2[*:1])o1
COC(=O)c1ccc(COc2ccc(Cl)cc2C(N)=O)o1 COC(=O)[*:1] NC(=O)c1cc(Cl)ccc1OCc1ccc(o1)[*:1]
C=CCOc1ccccc1/C=C/c1cc(C(=O)[O-])ncn1 C=CC[*:1] O=C([O-])c1cc(/C=C/c2ccccc2O[*:1])ncn1
C=CCOc1ccccc1/C=C/c1cc(C(=O)[O-])ncn1 C=CCO[*:1] O=C([O-])c1cc(/C=C/c2ccccc2[*:1])ncn1
C=CCOc1ccccc1/C=C/c1cc(C(=O)[O-])ncn1 O=C([O-])[*:1] C=CCOc1ccccc1/C=C/c1cc(ncn1)[*:1]
CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccc(C)c(Cl)c1 Cc1ccc(cc1Cl)[*:1] CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N[*:1]
CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccc(C)c(Cl)c1 CCC[*:1] Cc1ccc(cc1Cl)NC(=O)C[C@H]1CSc2nc(cc(=O)n21)[*:1]
CC(=O)Nc1ccc(N2C(=O)c3cnc4[nH]nc(-c5ccncc5)c4c3C2=O)cc1 CC(=O)N[*:1] O=C1c2cnc3[nH]nc(-c4ccncc4)c3c2C(=O)N1c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(N2C(=O)c3cnc4[nH]nc(-c5ccncc5)c4c3C2=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C1c2cnc3[nH]nc(-c4ccncc4)c3c2C(=O)N1[*:1]
CC(=O)Nc1ccc(N2C(=O)c3cnc4[nH]nc(-c5ccncc5)c4c3C2=O)cc1 c1cc(ccn1)[*:1] CC(=O)Nc1ccc(cc1)N1C(=O)c2cnc3[nH]nc(c3c2C1=O)[*:1]
CC(C)OCC[NH+]1CCC(NC(=O)CN2CCCCC2=O)CC1 CC(C)O[*:1] O=C(CN1CCCCC1=O)NC1CC[NH+](CC1)CC[*:1]
CC(C)OCC[NH+]1CCC(NC(=O)CN2CCCCC2=O)CC1 CC(C)OC[*:1] O=C(CN1CCCCC1=O)NC1CC[NH+](CC1)C[*:1]
CC(C)OCC[NH+]1CCC(NC(=O)CN2CCCCC2=O)CC1 O=C1CCCCN1[*:1] CC(C)OCC[NH+]1CCC(CC1)NC(=O)C[*:1]
CC(C)OCC[NH+]1CCC(NC(=O)CN2CCCCC2=O)CC1 CC(C)[*:1] O=C(CN1CCCCC1=O)NC1CC[NH+](CCO[*:1])CC1
CC(C)OCC[NH+]1CCC(NC(=O)CN2CCCCC2=O)CC1 CC(C)OCC[*:1] O=C(CN1CCCCC1=O)NC1CC[NH+](CC1)[*:1]
CC(C)CC(=O)N1CCC(Oc2nc3ccccc3s2)CC1 CC(C)C[*:1] O=C(N1CCC(CC1)Oc1nc2ccccc2s1)[*:1]
CC(C)CC(=O)N1CCC(Oc2nc3ccccc3s2)CC1 CC(C)[*:1] O=C(C[*:1])N1CCC(CC1)Oc1nc2ccccc2s1
COc1cccc(NC(=O)C(=O)N2CC[C@H](Cc3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)C(=O)N1CC[C@@H](C1)C[*:1]
COc1cccc(NC(=O)C(=O)N2CC[C@H](Cc3ccccc3)C2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)C(=O)N1CC[C@H](C1)[*:1]
COc1cccc(NC(=O)C(=O)N2CC[C@H](Cc3ccccc3)C2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])C(=O)N1CC[C@H](Cc2ccccc2)C1
CC(C)(CNC(=O)NCCc1nnc2n1CCC2)c1ccc2c(c1)OCO2 C1Cc2nnc(n2C1)[*:1] CC(C)(CNC(=O)NCC[*:1])c1ccc2OCOc2c1
CC(C)(CNC(=O)NCCc1nnc2n1CCC2)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CC(C)(CNC(=O)NCCc1nnc2CCCn21)[*:1]
CC(C)(CNC(=O)NCCc1nnc2n1CCC2)c1ccc2c(c1)OCO2 C1Cc2nnc(C[*:1])n2C1 CC(C)(CNC(=O)NC[*:1])c1ccc2OCOc2c1
[NH3+][C@@H](Cc1ccncc1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@@H](Cc1ccncc1)[*:1]
O=C1CC[C@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)CN1Cc1ccccn1 c1csc(c1)C[*:1] O=C1CC[C@@H](CN1Cc1ccccn1)C(=O)N1CC[NH+](CC1)[*:1]
O=C1CC[C@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)CN1Cc1ccccn1 c1csc(c1)[*:1] O=C1CC[C@@H](CN1Cc1ccccn1)C(=O)N1CC[NH+](CC1)C[*:1]
O=C1CC[C@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)CN1Cc1ccccn1 c1ccc(nc1)[*:1] O=C1CC[C@@H](CN1C[*:1])C(=O)N1CC[NH+](CC1)Cc1cccs1
O=C1CC[C@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)CN1Cc1ccccn1 c1ccc(C[*:1])nc1 O=C([C@H]1CCC(=O)N(C1)[*:1])N1CC[NH+](CC1)Cc1cccs1
C[C@H](O)C[C@@H]1CCCN1C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@H](O)C[C@@H]1CCCN1C(=O)N[*:1]
C[C@H](O)C[C@@H]1CCCN1C(=O)NC1CCCC1 C[C@H](O)[*:1] O=C(NC1CCCC1)N1CCC[C@H]1C[*:1]
C[C@H](O)C[C@@H]1CCCN1C(=O)NC1CCCC1 C[C@H](O)C[*:1] O=C(NC1CCCC1)N1CCC[C@H]1[*:1]
CCC(=O)N1CCC[NH+](Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CCC(=O)N1CCC[NH+](CC1)C[*:1]
COC[C@@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 CC(=O)[*:1] COC[C@@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])c1ccc(F)c(F)c1
COC[C@@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](Nc1ccc(cc1[N+](=O)[O-])C(C)=O)[*:1]
COC[C@@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 COC[*:1] CC(=O)c1ccc(N[C@@H](c2ccc(F)c(F)c2)[*:1])c(c1)[N+](=O)[O-]
COC[C@@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 O=[N+]([O-])[*:1] COC[C@@H](Nc1ccc(cc1[*:1])C(C)=O)c1ccc(F)c(F)c1
C[C@@H](NC(=O)N[C@H](C)c1nc(C2CCCC2)no1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](NC(=O)N[C@H](C)c1nc(no1)C1CCCC1)C(=O)N[*:1]
C[C@@H](NC(=O)N[C@H](C)c1nc(C2CCCC2)no1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](NC(=O)N[C@H](C)[*:1])c1nc(no1)C1CCCC1
C[C@@H](NC(=O)N[C@H](C)c1nc(C2CCCC2)no1)C(=O)NC(C)(C)C C1CCC(C1)[*:1] C[C@@H](NC(=O)N[C@H](C)c1nc(no1)[*:1])C(=O)NC(C)(C)C
Cn1nc(C(=O)NC2CCSCC2)c(=O)c2cc(F)ccc21 C1CC(CCS1)[*:1] Cn1nc(C(=O)N[*:1])c(=O)c2cc(F)ccc21
COc1ccc([C@H](CNC(=O)c2ccc(-n3cccc3)cc2)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1ccc(cc1)-n1cccc1
COc1ccc([C@H](CNC(=O)c2ccc(-n3cccc3)cc2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)c1ccc(cc1)-n1cccc1)[*:1]
COc1ccc([C@H](CNC(=O)c2ccc(-n3cccc3)cc2)N2CCOCC2)cc1 c1ccn(c1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)c1ccc(cc1)[*:1])N1CCOCC1
CC[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 N#Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)N[*:1])c1ccc2OCCOc2c1
COc1ccc(/C=N/NC(=O)c2nonc2C)cc1Br Cc1nonc1[*:1] COc1ccc(/C=N/NC(=O)[*:1])cc1Br
O=C(NCCc1ccc[nH]1)c1ccc(-c2nc3ccccc3s2)s1 c1c[nH]c(c1)CC[*:1] O=C(N[*:1])c1ccc(s1)-c1nc2ccccc2s1
O=C(NCCc1ccc[nH]1)c1ccc(-c2nc3ccccc3s2)s1 c1c[nH]c(c1)[*:1] O=C(NCC[*:1])c1ccc(s1)-c1nc2ccccc2s1
O=C(NCCc1ccc[nH]1)c1ccc(-c2nc3ccccc3s2)s1 c1c[nH]c(c1)C[*:1] O=C(NC[*:1])c1ccc(s1)-c1nc2ccccc2s1
CCc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 CCc1cccc(c1)[*:1] CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
C#CCNC(=O)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc12 C#CC[*:1] O=C(N[*:1])c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc12
C#CCNC(=O)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc12 C#CCNC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1cc(=O)[nH]c2ccccc12
Nc1nc(CSc2nnnn2C[C@@H]2CCCO2)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] Nc1nc(CSc2nnnn2C[C@@H]2CCCO2)nc(n1)[*:1]
Nc1nc(CSc2nnnn2C[C@@H]2CCCO2)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] Nc1nc(CSc2nnnn2C[C@@H]2CCCO2)nc(n1)N[*:1]
CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)CN1Cc1c[nH]c[nH+]1 CCNC(=O)[*:1] CC(C)n1cc(cn1)C(=O)N[C@@H]1C[C@H](N(Cc2c[nH]c[nH+]2)C1)[*:1]
CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)CN1Cc1c[nH]c[nH+]1 CC(C)[*:1] CCNC(=O)[C@@H]1C[C@H](CN1Cc1c[nH]c[nH+]1)NC(=O)c1cnn(c1)[*:1]
CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)CN1Cc1c[nH]c[nH+]1 CC(C)n1cc(cn1)[*:1] CCNC(=O)[C@@H]1C[C@H](CN1Cc1c[nH]c[nH+]1)NC(=O)[*:1]
COCc1cc(NC(=O)C(=O)N2CC=C(c3cccs3)CC2)ncn1 COC[*:1] O=C(Nc1cc(ncn1)[*:1])C(=O)N1CC=C(CC1)c1cccs1
COCc1cc(NC(=O)C(=O)N2CC=C(c3cccs3)CC2)ncn1 c1csc(c1)[*:1] COCc1cc(ncn1)NC(=O)C(=O)N1CC=C(CC1)[*:1]
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCc3n[nH]c(=O)[nH]3)c2c1 O=c1[nH]nc([nH]1)[*:1] Cc1cc(C)c2nc(cc(C(=O)NCCC[*:1])c2c1)C1CC1
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCc3n[nH]c(=O)[nH]3)c2c1 O=c1[nH]nc(CC[*:1])[nH]1 Cc1cc(C)c2nc(cc(C(=O)NC[*:1])c2c1)C1CC1
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCc3n[nH]c(=O)[nH]3)c2c1 O=c1[nH]nc(C[*:1])[nH]1 Cc1cc(C)c2nc(cc(C(=O)NCC[*:1])c2c1)C1CC1
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCc3n[nH]c(=O)[nH]3)c2c1 C1CC1[*:1] Cc1cc(C)c2nc(cc(C(=O)NCCCc3n[nH]c(=O)[nH]3)c2c1)[*:1]
Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCc3n[nH]c(=O)[nH]3)c2c1 O=c1[nH]nc(CCC[*:1])[nH]1 Cc1cc(C)c2nc(cc(C(=O)N[*:1])c2c1)C1CC1
Cn1c(=O)[nH]c(=O)c2c1nc(SCCCc1ccccc1)n2Cc1ccc(Cl)cc1 c1ccc(cc1)CC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SC[*:1])n2Cc1ccc(Cl)cc1
Cn1c(=O)[nH]c(=O)c2c1nc(SCCCc1ccccc1)n2Cc1ccc(Cl)cc1 c1ccc(cc1)CCCS[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2Cc1ccc(Cl)cc1)[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(SCCCc1ccccc1)n2Cc1ccc(Cl)cc1 c1ccc(cc1)CCC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(S[*:1])n2Cc1ccc(Cl)cc1
Cn1c(=O)[nH]c(=O)c2c1nc(SCCCc1ccccc1)n2Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCCCc1ccccc1)n2C[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(SCCCc1ccccc1)n2Cc1ccc(Cl)cc1 c1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCC[*:1])n2Cc1ccc(Cl)cc1
Cn1c(=O)[nH]c(=O)c2c1nc(SCCCc1ccccc1)n2Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCCCc1ccccc1)n2[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(SCCCc1ccccc1)n2Cc1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCCC[*:1])n2Cc1ccc(Cl)cc1
COC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 COC(=O)[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(c1)[*:1]
CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(s1)[*:1]
CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 Clc1ccc(C[*:1])s1 CCN(S(=O)(=O)c1ccc(s1)[N+](=O)[O-])[*:1]
CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 Clc1ccc(s1)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(s1)[N+](=O)[O-]
CC(C)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCN(CCO)CC1
CC(C)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1 OCC[*:1] CC(C)c1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
Cc1cccnc1C[C@@H](C)NC(=O)c1ccn2nnnc2c1 Cc1cccnc1[*:1] C[C@H](C[*:1])NC(=O)c1ccn2nnnc2c1
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 COC(=O)[*:1] NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] COC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1[nH]ncc1CCCNc1cncc(-n2ccnc2C)n1 Cc1[nH]ncc1C[*:1] Cc1nccn1-c1cncc(n1)NCC[*:1]
Cc1[nH]ncc1CCCNc1cncc(-n2ccnc2C)n1 Cc1[nH]ncc1[*:1] Cc1nccn1-c1cncc(n1)NCCC[*:1]
Cc1[nH]ncc1CCCNc1cncc(-n2ccnc2C)n1 Cc1nccn1[*:1] Cc1[nH]ncc1CCCNc1cncc(n1)[*:1]
CC[C@@H](C)N(C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 CC[C@@H](C)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)[*:1]
Cc1occc1C[NH+](C)CCCCCS SCC[*:1] Cc1occc1C[NH+](C)CCC[*:1]
Cc1occc1C[NH+](C)CCCCCS SCCCC[*:1] Cc1occc1C[NH+](C)C[*:1]
Cc1occc1C[NH+](C)CCCCCS SCCC[*:1] Cc1occc1C[NH+](C)CC[*:1]
Cc1ccccc1C(C)(C)C[NH2+]Cc1cc2ccccc2[nH]c1=O Cc1ccccc1[*:1] CC(C)(C[NH2+]Cc1cc2ccccc2[nH]c1=O)[*:1]
C[C@@H](N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cccnc1 Clc1cccc(c1)[*:1] C[C@@H](N[C@@H](c1ccccn1)[*:1])c1cccnc1
C[C@@H](N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cccnc1 c1ccc(nc1)[*:1] C[C@@H](N[C@@H](c1cccc(Cl)c1)[*:1])c1cccnc1
C[C@@H](N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](N[C@@H](c1cccc(Cl)c1)c1ccccn1)[*:1]
Nc1nc(SCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)n[nH]1 Nc1nc(n[nH]1)[*:1] O=C(CS[*:1])N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O
Nc1nc(SCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)n[nH]1 C1CC1C[*:1] Nc1nc(n[nH]1)SCC(=O)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
Nc1nc(SCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)n[nH]1 Nc1nc(n[nH]1)SC[*:1] O=C1[C@H]2CC[C@H](CN(C2)C(=O)[*:1])N1CC1CC1
Nc1nc(SCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)n[nH]1 Nc1nc(n[nH]1)S[*:1] O=C(C[*:1])N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O
Nc1nc(SCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)n[nH]1 C1CC1[*:1] Nc1nc(n[nH]1)SCC(=O)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
CCOC(=O)c1ccc(NCC(=O)NC2(C#N)CCCCC2)cc1 N#CC1(CCCCC1)[*:1] CCOC(=O)c1ccc(cc1)NCC(=O)N[*:1]
CCOC(=O)c1ccc(NCC(=O)NC2(C#N)CCCCC2)cc1 CCOC(=O)[*:1] N#CC1(CCCCC1)NC(=O)CNc1ccc(cc1)[*:1]
N/C(=N/OCc1nnc(-c2ccccc2)o1)C1CCCC1 c1ccc(cc1)[*:1] N/C(=N/OCc1nnc(o1)[*:1])C1CCCC1
N/C(=N/OCc1nnc(-c2ccccc2)o1)C1CCCC1 C1CCC(C1)[*:1] N/C(=N/OCc1nnc(o1)-c1ccccc1)[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCCCCC1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1O)[*:1])C1CCCCCC1
Cc1ccc(C)c(Oc2ccc(S(C)(=O)=O)cc2N)c1 CS(=O)(=O)[*:1] Cc1ccc(C)c(c1)Oc1ccc(cc1N)[*:1]
O=C(Nc1cc(F)c(F)cc1F)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 Fc1cc(F)c(cc1F)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cc(F)ccc1F
O=C(Nc1cc(F)c(F)cc1F)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 Fc1ccc(F)c(c1)[*:1] O=C(Nc1cc(F)c(F)cc1F)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1 Clc1cc(Cl)cc(c1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(o1)[*:1]
COC(=O)c1sccc1NC(=O)COc1ccc(C#N)cc1 COC(=O)[*:1] N#Cc1ccc(cc1)OCC(=O)Nc1ccsc1[*:1]
COC(=O)CC1=CC(=O)N(CC(=O)NCc2ccccc2Cl)c2cc(C)c(C)cc2N1 COC(=O)C[*:1] Cc1cc2NC(=CC(=O)N(CC(=O)NCc3ccccc3Cl)c2cc1C)[*:1]
COC(=O)CC1=CC(=O)N(CC(=O)NCc2ccccc2Cl)c2cc(C)c(C)cc2N1 Clc1ccccc1[*:1] COC(=O)CC1=CC(=O)N(CC(=O)NC[*:1])c2cc(C)c(C)cc2N1
COC(=O)CC1=CC(=O)N(CC(=O)NCc2ccccc2Cl)c2cc(C)c(C)cc2N1 COC(=O)[*:1] Cc1cc2NC(=CC(=O)N(CC(=O)NCc3ccccc3Cl)c2cc1C)C[*:1]
COC(=O)CC1=CC(=O)N(CC(=O)NCc2ccccc2Cl)c2cc(C)c(C)cc2N1 Clc1ccccc1C[*:1] COC(=O)CC1=CC(=O)N(CC(=O)N[*:1])c2cc(C)c(C)cc2N1
CNS(=O)(=O)c1ccc(NCCNC(C)=O)c([N+](=O)[O-])c1 CC(=O)NCCN[*:1] CNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CNS(=O)(=O)c1ccc(NCCNC(C)=O)c([N+](=O)[O-])c1 CNS(=O)(=O)[*:1] CC(=O)NCCNc1ccc(cc1[N+](=O)[O-])[*:1]
CNS(=O)(=O)c1ccc(NCCNC(C)=O)c([N+](=O)[O-])c1 CC(=O)N[*:1] CNS(=O)(=O)c1ccc(NCC[*:1])c(c1)[N+](=O)[O-]
CNS(=O)(=O)c1ccc(NCCNC(C)=O)c([N+](=O)[O-])c1 CC(=O)NCC[*:1] CNS(=O)(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
CNS(=O)(=O)c1ccc(NCCNC(C)=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNS(=O)(=O)c1ccc(NCCNC(C)=O)c(c1)[*:1]
CNS(=O)(=O)c1ccc(NCCNC(C)=O)c([N+](=O)[O-])c1 CC(=O)NC[*:1] CNS(=O)(=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
O=C([O-])c1ccc(F)cc1NC(=O)[C@H]1CCS(=O)(=O)C1 O=C([O-])[*:1] O=C(Nc1cc(F)ccc1[*:1])[C@H]1CCS(=O)(=O)C1
CCN(CC)c1cc(C)nc2c(C#N)ncn12 CCN(CC)[*:1] Cc1cc(n2cnc(C#N)c2n1)[*:1]
Cc1ccc2c(cnn2CCC(=O)N2CCC[NH+](CC3CC3)CC2)c1 C1CC1C[*:1] Cc1ccc2c(cnn2CCC(=O)N2CCC[NH+](CC2)[*:1])c1
Cc1ccc2c(cnn2CCC(=O)N2CCC[NH+](CC3CC3)CC2)c1 C1CC1[*:1] Cc1ccc2c(cnn2CCC(=O)N2CCC[NH+](CC2)C[*:1])c1
COC(=O)CS(=O)(=O)c1ccccc1F COC(=O)[*:1] O=S(=O)(C[*:1])c1ccccc1F
COC(=O)CS(=O)(=O)c1ccccc1F COC(=O)C[*:1] O=S(=O)(c1ccccc1F)[*:1]
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2Cc2ccccc2)ccc1F c1ccc(cc1)C[*:1] N#Cc1cc(ccc1F)NC(=O)C(=O)N1CCC[C@@H]1[*:1]
N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2Cc2ccccc2)ccc1F c1ccc(cc1)[*:1] N#Cc1cc(ccc1F)NC(=O)C(=O)N1CCC[C@H]1C[*:1]
Cc1ccccc1CNC(=O)[C@@H](C)Sc1nc2ncccn2n1 Cc1ccccc1[*:1] C[C@@H](Sc1nc2ncccn2n1)C(=O)NC[*:1]
CC(C)C[C@@H](CCO)CNC(=O)N[C@H]1CCN(C)C1=O CC(C)C[*:1] CN1CC[C@H](NC(=O)NC[C@H](CCO)[*:1])C1=O
CC(C)C[C@@H](CCO)CNC(=O)N[C@H]1CCN(C)C1=O CC(C)[*:1] CN1CC[C@H](NC(=O)NC[C@H](CCO)C[*:1])C1=O
CC(C)C[C@@H](CCO)CNC(=O)N[C@H]1CCN(C)C1=O OCC[*:1] CC(C)C[C@@H](CNC(=O)N[C@H]1CCN(C)C1=O)[*:1]
C[C@@H]1CC(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)C[C@@H](C)O1 O=C(N1CCOCC1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCOc1cc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])NC(=O)N1CCO[C@@H](C1)c1ccccc1F
CCOc1cc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)ccc1OC Fc1ccccc1[*:1] CCOc1cc(ccc1OC)NC(=O)N1CCO[C@H](C1)[*:1]
NC(=O)c1nnc(C(N)=O)s1 NC(=O)[*:1] NC(=O)c1nnc(s1)[*:1]
C#CCOc1ccc(NC(=O)c2cc(S(N)(=O)=O)oc2C)cc1 C#CCO[*:1] Cc1oc(cc1C(=O)Nc1ccc(cc1)[*:1])S(N)(=O)=O
C#CCOc1ccc(NC(=O)c2cc(S(N)(=O)=O)oc2C)cc1 C#CC[*:1] Cc1oc(cc1C(=O)Nc1ccc(cc1)O[*:1])S(N)(=O)=O
C#CCOc1ccc(NC(=O)c2cc(S(N)(=O)=O)oc2C)cc1 NS(=O)(=O)[*:1] C#CCOc1ccc(cc1)NC(=O)c1cc(oc1C)[*:1]
CC(C)(C)C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 C1CC1[*:1] CC(C)(C)C(=O)Nc1cccc(c1)-c1nc(n[nH]1)[*:1]
CC(C)(C)C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)-c1nc(n[nH]1)C1CC1)[*:1]
CC(C)(C)C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 CC(C)(C)C(=O)N[*:1] c1cc(cc(c1)[*:1])-c1nc(n[nH]1)C1CC1
CC(C)C[C@@H](NC(N)=O)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)C[C@@H](NC(N)=O)C(=O)N1CCC(CC1)NC(=O)[*:1]
CC(C)C[C@@H](NC(N)=O)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 CC(C)C[*:1] NC(=O)N[C@@H](C(=O)N1CCC(CC1)NC(=O)c1ccccc1)[*:1]
CC(C)C[C@@H](NC(N)=O)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 NC(=O)N[*:1] CC(C)C[C@@H](C(=O)N1CCC(CC1)NC(=O)c1ccccc1)[*:1]
CC(C)C[C@@H](NC(N)=O)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 CC(C)[*:1] NC(=O)N[C@H](C[*:1])C(=O)N1CCC(CC1)NC(=O)c1ccccc1
CCc1cc2c(C)cc(=O)oc2cc1O[C@H](C)C(=O)[O-] O=C([O-])[*:1] CCc1cc2c(C)cc(=O)oc2cc1O[C@H](C)[*:1]
COC(=O)[C@H](NC(=O)/C=C/c1ccncc1)c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] COC(=O)[C@H](NC(=O)/C=C/c1ccncc1)[*:1]
COC(=O)[C@H](NC(=O)/C=C/c1ccncc1)c1ccc(Cl)c(F)c1 c1cc(ccn1)[*:1] COC(=O)[C@H](NC(=O)C=C[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@H](NC(=O)/C=C/c1ccncc1)c1ccc(Cl)c(F)c1 COC(=O)[*:1] O=C(/C=C/c1ccncc1)N[C@H](c1ccc(Cl)c(F)c1)[*:1]
COC(=O)[C@H](NC(=O)/C=C/c1ccncc1)c1ccc(Cl)c(F)c1 C(=C[*:1])c1ccncc1 COC(=O)[C@H](NC(=O)[*:1])c1ccc(Cl)c(F)c1
Cc1cccc(Oc2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3O)cc2)c1 Cc1cccc(c1)[*:1] O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(cc1)O[*:1]
Cc1cccc(Oc2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3O)cc2)c1 Cc1cccc(c1)O[*:1] O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(cc1)[*:1]
O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1
O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@](=O)[*:1])o1
O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 Clc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1
CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)cc1 CCCO[*:1] O=C(c1cnccn1)N1CCC(CC1)[NH2+]Cc1ccc(cc1)[*:1]
CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)cc1 c1cnc(cn1)[*:1] CCCOc1ccc(cc1)C[NH2+]C1CCN(CC1)C(=O)[*:1]
CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)cc1 CCC[*:1] O=C(c1cnccn1)N1CCC(CC1)[NH2+]Cc1ccc(cc1)O[*:1]
COc1ccc(CCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1OC COc1ccc(cc1OC)[*:1] C[C@@]1(Cn2c(cc3occc32)C(=O)N1CC[*:1])C(=O)NC1CCCCCC1
COc1ccc(CCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1OC COc1ccc(cc1OC)CC[*:1] C[C@@]1(Cn2c(cc3occc32)C(=O)N1[*:1])C(=O)NC1CCCCCC1
COc1ccc(CCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1OC O=C(NC1CCCCCC1)[*:1] COc1ccc(cc1OC)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)[*:1]
COc1ccc(CCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1OC C1CCCC(CC1)[*:1] COc1ccc(cc1OC)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[*:1]
COc1ccc(CCN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1OC COc1ccc(cc1OC)C[*:1] C[C@@]1(Cn2c(cc3occc32)C(=O)N1C[*:1])C(=O)NC1CCCCCC1
O=C(CCc1nnc(-c2ccsc2)o1)N1CC=C(c2ccc(F)cc2)CC1 c1cc(cs1)[*:1] O=C(CCc1nnc(o1)[*:1])N1CC=C(CC1)c1ccc(F)cc1
O=C(CCc1nnc(-c2ccsc2)o1)N1CC=C(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCc1nnc(o1)-c1ccsc1)N1CC=C(CC1)[*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@@H](Oc2cc(F)ccc2F)C1 CC(C)[*:1] O=C([O-])[C@]1(CC[C@H](C1)Oc1cc(F)ccc1F)[NH2+][*:1]
CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@@H](Oc2cc(F)ccc2F)C1 O=C([O-])[*:1] CC(C)[NH2+][C@@]1(CC[C@H](C1)Oc1cc(F)ccc1F)[*:1]
COc1cccc(NC(=O)CN(C)c2ccc3ccccc3c2)c1 COc1cccc(c1)[*:1] CN(CC(=O)N[*:1])c1ccc2ccccc2c1
C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cncc(Br)c2)C1 Brc1cncc(c1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)COC(=O)[*:1]
O=C(NCc1cccs1)c1c(F)cc(Br)cc1F c1csc(c1)C[*:1] O=C(N[*:1])c1c(F)cc(Br)cc1F
O=C(NCc1cccs1)c1c(F)cc(Br)cc1F c1csc(c1)[*:1] O=C(NC[*:1])c1c(F)cc(Br)cc1F
COC(=O)[C@@H](C(C)C)[C@H](O)c1ccc(CC(C)C)cc1 CC(C)[*:1] COC(=O)[C@@H]([C@H](O)c1ccc(cc1)CC(C)C)[*:1]
COC(=O)[C@@H](C(C)C)[C@H](O)c1ccc(CC(C)C)cc1 COC(=O)[*:1] CC(C)Cc1ccc(cc1)[C@@H](O)[C@H](C(C)C)[*:1]
COC(=O)[C@@H](C(C)C)[C@H](O)c1ccc(CC(C)C)cc1 CC(C)C[*:1] COC(=O)[C@@H](C(C)C)[C@H](O)c1ccc(cc1)[*:1]
COC(=O)[C@@H](C(C)C)[C@H](O)c1ccc(CC(C)C)cc1 CC(C)[*:1] COC(=O)[C@@H](C(C)C)[C@H](O)c1ccc(cc1)C[*:1]
CCC(=O)N1CCC[C@@H](C(=O)NC(c2cccc(C)c2)c2cccc(C)c2)C1 Cc1cccc(c1)[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)NC(c1cccc(C)c1)[*:1]
CC(=O)Nc1ccc(NCC(=O)N2CCC[C@@H]2c2cccs2)c(Cl)c1 c1csc(c1)[*:1] CC(=O)Nc1ccc(NCC(=O)N2CCC[C@H]2[*:1])c(Cl)c1
CC(=O)Nc1ccc(NCC(=O)N2CCC[C@@H]2c2cccs2)c(Cl)c1 CC(=O)N[*:1] O=C(CNc1ccc(cc1Cl)[*:1])N1CCC[C@@H]1c1cccs1
CCOc1c(Cl)cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1
NC(=O)CONC(=O)c1ccc(Br)cc1F NC(=O)C[*:1] O=C(NO[*:1])c1ccc(Br)cc1F
NC(=O)CONC(=O)c1ccc(Br)cc1F NC(=O)[*:1] O=C(NOC[*:1])c1ccc(Br)cc1F
O=S(=O)(Cc1ccon1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 c1cc(no1)[*:1] O=S(=O)(C[*:1])NC[C@@H](c1ccc(F)cc1)N1CCOCC1
O=S(=O)(Cc1ccon1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 c1cc(C[*:1])no1 O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[*:1]
O=S(=O)(Cc1ccon1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] O=S(=O)(Cc1ccon1)NC[C@@H](c1ccc(F)cc1)[*:1]
O=S(=O)(Cc1ccon1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 Fc1ccc(cc1)[*:1] O=S(=O)(Cc1ccon1)NC[C@@H](N1CCOCC1)[*:1]
O=C(Nc1cccc(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1nc2CCCCCn2n1)[*:1]
O=C(Nc1cccc(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1cccc(F)c1 Clc1cccc(c1)[*:1] O=C(N[*:1])N(Cc1nc2CCCCCn2n1)c1cccc(F)c1
Cc1ccccc1/C=C/c1n[nH]c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1 Cc1ccccc1C=C[*:1] C[C@H](Sc1nc(n[nH]1)[*:1])C(=O)Nc1cccc(C#N)c1
Cc1ccccc1/C=C/c1n[nH]c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1 Cc1ccccc1[*:1] C[C@H](Sc1nc(C=C[*:1])n[nH]1)C(=O)Nc1cccc(C#N)c1
Cc1ccccc1/C=C/c1n[nH]c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1 N#Cc1cccc(c1)[*:1] Cc1ccccc1/C=C/c1n[nH]c(n1)S[C@@H](C)C(=O)N[*:1]
CC[NH2+][C@@H](C=C(C)C)c1ccccc1OC CC(C)=C[*:1] CC[NH2+][C@@H](c1ccccc1OC)[*:1]
COc1ccccc1OCC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccccc1OCC(=O)N/N=C(\C)c1cccc(c1)[*:1]
COc1ccccc1OCC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1 COc1ccccc1[*:1] C/C(=N\NC(=O)CO[*:1])c1cccc(c1)[N+](=O)[O-]
COc1cc(C=O)cc(Cl)c1O[C@@H](C)[C@H](C)O C[C@H](O)[*:1] COc1cc(C=O)cc(Cl)c1O[C@@H](C)[*:1]
COc1ccc(CNC(=O)[C@H](C)Sc2ncnc3sccc23)cc1 COc1ccc(cc1)[*:1] C[C@H](Sc1ncnc2sccc12)C(=O)NC[*:1]
Cc1cnc([C@@H](C)NC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)s1 Cc1cnc(s1)[*:1] C[C@H]1C[C@@H](NC(=O)N[C@H](C)[*:1])C(=O)N1c1ccccc1
Cc1cnc([C@@H](C)NC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N[C@@H]1C[C@H](C)N(C1=O)[*:1]
Cc1cnc([C@@H](C)NC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)s1 Cc1cnc(s1)[C@@H](C)[*:1] C[C@H]1C[C@@H](NC(=O)N[*:1])C(=O)N1c1ccccc1
CCCc1cc(NC(=O)N(C)[C@@H](C)c2sc(CC)nc2C)n(C)n1 CCc1nc(C)c(s1)[*:1] CCCc1cc(NC(=O)N(C)[C@@H](C)[*:1])n(C)n1
CCCc1cc(NC(=O)N(C)[C@@H](C)c2sc(CC)nc2C)n(C)n1 CCC[*:1] CCc1nc(C)c(s1)[C@H](C)N(C)C(=O)Nc1cc(nn1C)[*:1]
COc1cccc(S(=O)(=O)NC[C@@](C)(O)c2ccc3c(c2)OCO3)c1 COc1cccc(c1)[*:1] C[C@@](O)(CNS(=O)(=O)[*:1])c1ccc2OCOc2c1
CC(C)CC1(CNC(=O)C[C@H]2OC(=O)c3ccccc32)CCCC1 CC(C)[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)NCC1(CCCC1)C[*:1]
CC(C)CC1(CNC(=O)C[C@H]2OC(=O)c3ccccc32)CCCC1 CC(C)C[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)NCC1(CCCC1)[*:1]
O=C(NCCCn1cccn1)Nc1ccc(-c2nc3ccccc3s2)cc1 c1cnn(c1)CCC[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2s1)N[*:1]
O=C(NCCCn1cccn1)Nc1ccc(-c2nc3ccccc3s2)cc1 c1cnn(c1)CC[*:1] O=C(NC[*:1])Nc1ccc(cc1)-c1nc2ccccc2s1
O=C(NCCCn1cccn1)Nc1ccc(-c2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] O=C(NCCCn1cccn1)Nc1ccc(cc1)[*:1]
O=C(NCCCn1cccn1)Nc1ccc(-c2nc3ccccc3s2)cc1 c1cnn(c1)[*:1] O=C(NCCC[*:1])Nc1ccc(cc1)-c1nc2ccccc2s1
O=C(NCCCn1cccn1)Nc1ccc(-c2nc3ccccc3s2)cc1 c1cnn(c1)C[*:1] O=C(NCC[*:1])Nc1ccc(cc1)-c1nc2ccccc2s1
Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)NCc3ccccc3Cl)n12 Clc1ccccc1[*:1] Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)NC[*:1])n12
Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)NCc3ccccc3Cl)n12 Clc1ccccc1C[*:1] Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)N[*:1])n12
Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)C2)n1 Cc1cccc(n1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
O=C(NCC1(c2ccccc2Cl)CCOCC1)c1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(NCC1(CCOCC1)c1ccccc1Cl)[*:1]
O=C(NCC1(c2ccccc2Cl)CCOCC1)c1cccc(F)c1F Clc1ccccc1[*:1] O=C(NCC1(CCOCC1)[*:1])c1cccc(F)c1F
C[NH+](C)CCNC(=O)c1ccc(CSc2ncccn2)o1 c1cnc(nc1)[*:1] C[NH+](C)CCNC(=O)c1ccc(CS[*:1])o1
C[NH+](C)CCNC(=O)c1ccc(CSc2ncccn2)o1 c1cnc(nc1)S[*:1] C[NH+](C)CCNC(=O)c1ccc(C[*:1])o1
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)CC1 C1CC(C1)[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)[*:1]
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)CC1 Cc1ccc(Cl)cc1[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)C1CCC1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(C)c(CSCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSC[*:1])N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(C)c(CSCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 C1CCC(C1)[*:1] Cc1ccc(C)c(c1)CSCC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(=O)c(C(=O)NC2CCC(O)CC2)nn1-c1cccc(C(F)(F)F)c1 OC1CCC(CC1)[*:1] Cc1cc(=O)c(nn1-c1cccc(c1)C(F)(F)F)C(=O)N[*:1]
Cc1cc(=O)c(C(=O)NC2CCC(O)CC2)nn1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(=O)c(nn1-c1cccc(c1)[*:1])C(=O)NC1CCC(O)CC1
CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(C[C@@H]1C=NN=C1c1ccccc1)CC2 CN(C)C(=O)[*:1] C1=NN=C(c2ccccc2)[C@@H]1CN1CCc2c(C1)c(nn2Cc1ccccc1)[*:1]
CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(C[C@@H]1C=NN=C1c1ccccc1)CC2 c1ccc(cc1)C[*:1] CN(C)C(=O)c1nn(c2CCN(Cc12)C[C@@H]1C=NN=C1c1ccccc1)[*:1]
CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(C[C@@H]1C=NN=C1c1ccccc1)CC2 c1ccc(cc1)[*:1] CN(C)C(=O)c1nn(C[*:1])c2CCN(Cc12)C[C@@H]1C=NN=C1c1ccccc1
CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(C[C@@H]1C=NN=C1c1ccccc1)CC2 c1ccc(cc1)[*:1] CN(C)C(=O)c1nn(Cc2ccccc2)c2CCN(Cc12)C[C@@H]1C=NN=C1[*:1]
NS(=O)(=O)c1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(/C=C/C(=O)NC[*:1])cc1
NS(=O)(=O)c1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1 NS(=O)(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NCc1ccc(Cl)cc1
CC[NH2+][C@@H](CC)c1ccccc1OCC(N)=O NC(=O)[*:1] CC[NH2+][C@@H](CC)c1ccccc1OC[*:1]
CC[NH2+][C@@H](CC)c1ccccc1OCC(N)=O NC(=O)CO[*:1] CC[NH2+][C@@H](CC)c1ccccc1[*:1]
CC[NH2+][C@@H](CC)c1ccccc1OCC(N)=O NC(=O)C[*:1] CC[NH2+][C@@H](CC)c1ccccc1O[*:1]
Cc1cc(Cl)c(CC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)c(Cl)n1 Cc1cc(Cl)c(c(Cl)n1)[*:1] O=C(C[*:1])OCc1cc(=O)n2c(n1)sc1ccccc12
CC(=O)NCCCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C CC(=O)NC[*:1] Cc1ccccc1[C@H]1C[C@@H](C)N(C1)C(=O)CCCC[*:1]
CC(=O)NCCCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C CC(=O)NCCC[*:1] Cc1ccccc1[C@H]1C[C@@H](C)N(C1)C(=O)CC[*:1]
CC(=O)NCCCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C CC(=O)NCC[*:1] Cc1ccccc1[C@H]1C[C@@H](C)N(C1)C(=O)CCC[*:1]
CC(=O)NCCCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C CC(=O)NCCCC[*:1] Cc1ccccc1[C@H]1C[C@@H](C)N(C1)C(=O)C[*:1]
CC(=O)NCCCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C Cc1ccccc1[*:1] CC(=O)NCCCCCC(=O)N1C[C@@H](C[C@H]1C)[*:1]
CC(=O)NCCCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C CC(=O)N[*:1] Cc1ccccc1[C@H]1C[C@@H](C)N(C1)C(=O)CCCCC[*:1]
O=C(NCCc1nc(-c2ccccc2)no1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1nc(no1)[*:1])C(c1ccccc1)c1ccccc1
O=C(NCCc1nc(-c2ccccc2)no1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1nc(no1)-c1ccccc1)C(c1ccccc1)[*:1]
O=C1N[C@H](c2ccc(F)c(-c3cccs3)c2)N2CCOC[C@@H]12 c1csc(c1)[*:1] O=C1N[C@H](c2ccc(F)c(c2)[*:1])N2CCOC[C@@H]12
CCCN1CC(=O)N(CC(=O)N2CCC(=O)CC2)CC1=O CCC[*:1] O=C1CCN(CC1)C(=O)CN1CC(=O)N(CC1=O)[*:1]
CCc1ccc([C@@H](C)NC(C)=O)cc1 CC(=O)N[*:1] CCc1ccc(cc1)[C@@H](C)[*:1]
C#CCOc1ccc(CCNC(=O)Nc2cnn(C(C)(C)C)c2)cc1 CC(C)(C)[*:1] C#CCOc1ccc(cc1)CCNC(=O)Nc1cnn(c1)[*:1]
C#CCOc1ccc(CCNC(=O)Nc2cnn(C(C)(C)C)c2)cc1 C#CCO[*:1] CC(C)(C)n1cc(cn1)NC(=O)NCCc1ccc(cc1)[*:1]
C#CCOc1ccc(CCNC(=O)Nc2cnn(C(C)(C)C)c2)cc1 C#CC[*:1] CC(C)(C)n1cc(cn1)NC(=O)NCCc1ccc(cc1)O[*:1]
O=C([O-])c1ccccc1C(=O)N1CCS[C@H]1c1ccccc1 O=C([O-])[*:1] O=C(c1ccccc1[*:1])N1CCS[C@H]1c1ccccc1
O=C([O-])c1ccccc1C(=O)N1CCS[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1ccccc1C(=O)N1CCS[C@@H]1[*:1]
CN(Cc1cnccn1)Cc1nc(-c2ccc3c(c2)OCO3)no1 c1cnc(cn1)[*:1] CN(Cc1nc(no1)-c1ccc2OCOc2c1)C[*:1]
CN(Cc1cnccn1)Cc1nc(-c2ccc3c(c2)OCO3)no1 c1cnc(cn1)C[*:1] CN(Cc1nc(no1)-c1ccc2OCOc2c1)[*:1]
Cc1ccc(C(=O)N[C@H](C)c2ccccn2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@H](C)c1ccccn1
Cc1ccc(C(=O)N[C@H](C)c2ccccn2)cc1S(C)(=O)=O c1ccc(nc1)[*:1] Cc1ccc(cc1S(C)(=O)=O)C(=O)N[C@H](C)[*:1]
C[NH+](CCCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 c1ccc(cc1)C[*:1] C[NH+](CC[*:1])CC(=O)N1CCc2cc(ccc21)[N+](=O)[O-]
C[NH+](CCCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 c1ccc(cc1)CC[*:1] C[NH+](CC(=O)N1CCc2cc(ccc21)[N+](=O)[O-])C[*:1]
C[NH+](CCCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] C[NH+](CCCc1ccccc1)CC(=O)N1CCc2cc(ccc21)[*:1]
C[NH+](CCCc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 c1ccc(cc1)[*:1] C[NH+](CCC[*:1])CC(=O)N1CCc2cc(ccc21)[N+](=O)[O-]
Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 Cc1noc(C)c1C[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(cc1)O[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 Cc1noc(C)c1[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(cc1)OC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 Cc1noc(C)c1CO[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N(C)Cc1ccccc1[*:1]
C[C@@H](NC(=O)N(C)Cc1cnccn1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N(C)Cc1cnccn1)c1noc(C[*:1])n1
C[C@@H](NC(=O)N(C)Cc1cnccn1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)N(C)Cc1cnccn1)c1noc(n1)[*:1]
C[C@@H](NC(=O)N(C)Cc1cnccn1)c1noc(Cc2ccccc2)n1 c1cnc(cn1)C[*:1] C[C@@H](NC(=O)N(C)[*:1])c1noc(Cc2ccccc2)n1
C[C@@H](NC(=O)N(C)Cc1cnccn1)c1noc(Cc2ccccc2)n1 c1cnc(cn1)[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1noc(Cc2ccccc2)n1
Cc1cc2c(cc1O)NC(=O)C[C@@H]2c1ccc(-c2ccccc2C#N)o1 N#Cc1ccccc1[*:1] Cc1cc2c(cc1O)NC(=O)C[C@@H]2c1ccc(o1)[*:1]
CC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)c1ccc(C)c(F)c1 CC(C)(C)NC(=O)[*:1] CC[C@@H](N[C@H](C)[*:1])c1ccc(C)c(F)c1
CC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)c1ccc(C)c(F)c1 CC(C)(C)[*:1] CC[C@@H](N[C@H](C)C(=O)N[*:1])c1ccc(C)c(F)c1
N#C[C@H](NC(=O)CCOc1ccccc1Br)c1ccc(F)cc1F Brc1ccccc1[*:1] N#C[C@H](NC(=O)CCO[*:1])c1ccc(F)cc1F
N#C[C@H](NC(=O)CCOc1ccccc1Br)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] N#C[C@H](NC(=O)CCOc1ccccc1Br)[*:1]
N#C[C@H](NC(=O)CCOc1ccccc1Br)c1ccc(F)cc1F Brc1ccccc1O[*:1] N#C[C@H](NC(=O)CC[*:1])c1ccc(F)cc1F
CC(C)[C@](C)(O)CNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@](C)(O)CNC(=O)[C@H](NC(=O)c1ccccc1)[*:1]
CC(C)[C@](C)(O)CNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 CC(C)[*:1] C[C@](O)(CNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)[*:1]
CC(C)[C@](C)(O)CNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@](C)(O)CNC(=O)[C@H](NC(=O)[*:1])c1ccccc1
C[C@@H](NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] O=C([O-])[*:1] C[C@@H](NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21)[*:1]
Cc1cc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)on1 C1CC1[*:1] Cc1cc(NC(=O)N[C@@H](c2cccc(c2)C(F)(F)F)[*:1])on1
Cc1cc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)on1 FC(F)(F)[*:1] Cc1cc(NC(=O)N[C@@H](c2cccc(c2)[*:1])C2CC2)on1
Cc1cc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)on1 Cc1cc(on1)[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)N[*:1]
Cc1cc(C)c(NC(=O)C(=O)NCCc2ccsc2)c(C)c1 c1cc(cs1)C[*:1] Cc1cc(C)c(NC(=O)C(=O)NC[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C(=O)NCCc2ccsc2)c(C)c1 c1cc(cs1)CC[*:1] Cc1cc(C)c(NC(=O)C(=O)N[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C(=O)NCCc2ccsc2)c(C)c1 c1cc(cs1)[*:1] Cc1cc(C)c(NC(=O)C(=O)NCC[*:1])c(C)c1
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(Cl)nc2sccn12 Cc1c(Cl)cccc1[*:1] N#C/C(=C\c1c(Cl)nc2sccn12)C(=O)N[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@H]1[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@@H]1Cn1cccn1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)N1CCC[C@@H]1Cn1cccn1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@@H]1C[*:1]
O=C(CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(F)cc1)C3)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C[C@@H](Cc2nc3nc(nn3cc21)SC[*:1])c1ccc(F)cc1
O=C(CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(F)cc1)C3)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(CSc1nc2nc3C[C@@H](CC(=O)c3cn2n1)[*:1])c1ccccc1
O=C(CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(F)cc1)C3)c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](Cc2nc3nc(nn3cc21)SCC(=O)[*:1])c1ccc(F)cc1
O=C(CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(F)cc1)C3)c1ccccc1 O=C(CS[*:1])c1ccccc1 O=C1C[C@@H](Cc2nc3nc(nn3cc21)[*:1])c1ccc(F)cc1
O=C(CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(F)cc1)C3)c1ccccc1 O=C(C[*:1])c1ccccc1 O=C1C[C@@H](Cc2nc3nc(nn3cc21)S[*:1])c1ccc(F)cc1
Cc1cc(C)c(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)c(C)c1 CS(=O)(=O)[*:1] Cc1cc(C)c(C(=O)Nc2cccc(C[*:1])c2C)c(C)c1
Cc1cc(C)c(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)c(C)c1 CS(=O)(=O)C[*:1] Cc1cc(C)c(C(=O)Nc2cccc(c2C)[*:1])c(C)c1
O=C(C[NH+]1CCCCC1)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCCCC1)NNc1nc(c2cc(Br)ccc2n1)[*:1]
CCOC(=O)c1cccc(Oc2cc(C)nc(COC)n2)c1 CCOC(=O)[*:1] COCc1nc(C)cc(n1)Oc1cccc(c1)[*:1]
CCOC(=O)c1cccc(Oc2cc(C)nc(COC)n2)c1 COC[*:1] CCOC(=O)c1cccc(c1)Oc1cc(C)nc(n1)[*:1]
COCCN(CC#Cc1ccccc1)C(=O)CC(=O)Nc1ccccc1C COCC[*:1] Cc1ccccc1NC(=O)CC(=O)N(CC#Cc1ccccc1)[*:1]
COCCN(CC#Cc1ccccc1)C(=O)CC(=O)Nc1ccccc1C COC[*:1] Cc1ccccc1NC(=O)CC(=O)N(CC#Cc1ccccc1)C[*:1]
COCCN(CC#Cc1ccccc1)C(=O)CC(=O)Nc1ccccc1C c1ccc(cc1)[*:1] COCCN(CC#C[*:1])C(=O)CC(=O)Nc1ccccc1C
COCCN(CC#Cc1ccccc1)C(=O)CC(=O)Nc1ccccc1C C(#Cc1ccccc1)C[*:1] COCCN(C(=O)CC(=O)Nc1ccccc1C)[*:1]
COCCN(CC#Cc1ccccc1)C(=O)CC(=O)Nc1ccccc1C C(#C[*:1])c1ccccc1 COCCN(C[*:1])C(=O)CC(=O)Nc1ccccc1C
COCCN(CC#Cc1ccccc1)C(=O)CC(=O)Nc1ccccc1C Cc1ccccc1[*:1] COCCN(CC#Cc1ccccc1)C(=O)CC(=O)N[*:1]
Cc1cc(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)on1 Cc1cc(C[*:1])on1 O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1[*:1]
Cc1cc(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)on1 Cc1cc(on1)[*:1] O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[*:1]
C[C@@]([NH3+])(C(=O)[O-])c1ccc(S(=O)(=O)[O-])cc1 O=S(=O)([O-])[*:1] C[C@@]([NH3+])(C(=O)[O-])c1ccc(cc1)[*:1]
C[C@@]([NH3+])(C(=O)[O-])c1ccc(S(=O)(=O)[O-])cc1 O=C([O-])[*:1] C[C@@]([NH3+])(c1ccc(cc1)S(=O)(=O)[O-])[*:1]
CS[C@H](C)C[NH2+]C1CCN(CCN2CCOCC2)CC1 C1CN(CCO1)[*:1] CS[C@H](C)C[NH2+]C1CCN(CC1)CC[*:1]
Cc1ccc(CNS(C)(=O)=O)c(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(CNS(C)(=O)=O)c(c1)O[*:1]
Cc1ccc(CNS(C)(=O)=O)c(OC(C)(C)C)c1 CS(=O)(=O)N[*:1] Cc1ccc(C[*:1])c(c1)OC(C)(C)C
Cc1ccc(CNS(C)(=O)=O)c(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1ccc(CNS(C)(=O)=O)c(c1)[*:1]
Cc1ccc(CNS(C)(=O)=O)c(OC(C)(C)C)c1 CS(=O)(=O)NC[*:1] Cc1ccc(c(c1)OC(C)(C)C)[*:1]
Cc1nc(-c2nnn(-c3ccc(Cl)cc3)c2C)sc1C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)N[*:1])-c1nnn(-c2ccc(Cl)cc2)c1C
Cc1nc(-c2nnn(-c3ccc(Cl)cc3)c2C)sc1C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NC[*:1])-c1nnn(-c2ccc(Cl)cc2)c1C
Cc1nc(-c2nnn(-c3ccc(Cl)cc3)c2C)sc1C(=O)NCc1ccc(F)cc1 Clc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NCc1ccc(F)cc1)-c1nnn(c1C)[*:1]
CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(C)COC1 CC1(COC1)[*:1] CC[C@@H](C)C[C@@H](CC)[NH2+]C[*:1]
CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(C)COC1 CC[C@@H](C)[*:1] CC[C@H](C[*:1])[NH2+]CC1(C)COC1
CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(C)COC1 CC[C@@H](C)C[*:1] CC[C@@H]([NH2+]CC1(C)COC1)[*:1]
CCOCCC(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CCOCCC(=O)N1CCC[C@@H](CO[*:1])C1
CCOCCC(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 CCOCC[*:1] O=C(N1CCC[C@@H](COc2cccc(F)c2)C1)[*:1]
CCOCCC(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 CCOC[*:1] O=C(C[*:1])N1CCC[C@@H](COc2cccc(F)c2)C1
CCOCCC(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 CCO[*:1] O=C(CC[*:1])N1CCC[C@@H](COc2cccc(F)c2)C1
Cc1cnc([C@H](C)NC(=O)NCCc2nc3ccccc3s2)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)NCCc1nc2ccccc2s1)[*:1]
CCOc1ccc([C@H](C)NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1OC c1ccc(cc1)[*:1] CCOc1ccc(cc1OC)[C@H](C)NC(=O)N1C[C@@H](C)O[C@H](C1)[*:1]
CCOc1ccc([C@H](C)NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H](C)NC(=O)N1C[C@@H](C)O[C@@H](C1)c1ccccc1
CC1(C)C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1(C)C O=C([O-])[*:1] CC1(C)C(CNC(=O)N2C[C@H](O)C[C@H]2[*:1])C1(C)C
O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2[N-]1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2[N-]1)N[*:1]
O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2[N-]1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2[N-]1)NC[*:1]
O=C(Nc1cccc2c1C(=O)NC2=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1cccc2C(=O)NC(=O)c12)c1cccc(c1)NS(=O)(=O)[*:1]
O=C(Nc1cccc2c1C(=O)NC2=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 O=S(=O)(N[*:1])c1ccccc1 O=C(Nc1cccc2C(=O)NC(=O)c12)c1cccc(c1)[*:1]
O=C(NC1CC1)c1cccc(CNc2nccc(C(F)(F)F)n2)c1 FC(F)(F)[*:1] O=C(NC1CC1)c1cccc(c1)CNc1nccc(n1)[*:1]
O=C(NC1CC1)c1cccc(CNc2nccc(C(F)(F)F)n2)c1 O=C(NC1CC1)[*:1] FC(F)(F)c1ccnc(n1)NCc1cccc(c1)[*:1]
O=C(NC1CC1)c1cccc(CNc2nccc(C(F)(F)F)n2)c1 C1CC1[*:1] O=C(N[*:1])c1cccc(c1)CNc1nccc(n1)C(F)(F)F
CCCN/C(=[NH+]\C)N(C)Cc1cccc(OC)c1 CCC[*:1] C/[NH+]=C(\N[*:1])N(C)Cc1cccc(c1)OC
Cc1ccccc1Cc1cccc(C2CCN(C(=O)c3cnccn3)CC2)n1 Cc1ccccc1C[*:1] O=C(c1cnccn1)N1CCC(CC1)c1cccc(n1)[*:1]
Cc1ccccc1Cc1cccc(C2CCN(C(=O)c3cnccn3)CC2)n1 c1cnc(cn1)[*:1] Cc1ccccc1Cc1cccc(n1)C1CCN(CC1)C(=O)[*:1]
Cc1ccccc1Cc1cccc(C2CCN(C(=O)c3cnccn3)CC2)n1 Cc1ccccc1[*:1] O=C(c1cnccn1)N1CCC(CC1)c1cccc(C[*:1])n1
Cc1cccc(OCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 Cc1cccc(c1)O[*:1] O=C1C[C@H](CN1Cc1ccccc1)c1nc2ccccc2n1CC[*:1]
Cc1cccc(OCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1cccc(OCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 Cc1cccc(c1)OC[*:1] O=C1C[C@H](CN1Cc1ccccc1)c1nc2ccccc2n1C[*:1]
Cc1cccc(OCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)OCCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(OCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 Cc1cccc(c1)OCC[*:1] O=C1C[C@H](CN1Cc1ccccc1)c1nc2ccccc2n1[*:1]
Cc1cccc(OCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 Cc1cccc(c1)[*:1] O=C1C[C@H](CN1Cc1ccccc1)c1nc2ccccc2n1CCO[*:1]
Cc1cc(F)c(N)cc1S(=O)(=O)NCCNS(C)(=O)=O CS(=O)(=O)N[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)NCC[*:1]
Cc1cc(F)c(N)cc1S(=O)(=O)NCCNS(C)(=O)=O CS(=O)(=O)NC[*:1] Cc1cc(F)c(N)cc1S(=O)(=O)NC[*:1]
CCCNS(=O)(=O)c1ccc(Cl)cc1OC CCC[*:1] COc1cc(Cl)ccc1S(=O)(=O)N[*:1]
Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(OCCCC(=O)Nc2nc(C)c(C)s2)c(C)c1 Cc1nc(sc1C)[*:1] Cc1ccc(OCCCC(=O)N[*:1])c(C)c1
[NH3+][C@@H]1CC[C@@H](NCc2ccc(-c3ccn[nH]3)cc2)C1 c1cc([nH]n1)[*:1] [NH3+][C@@H]1CC[C@H](C1)NCc1ccc(cc1)[*:1]
CCn1c(S[C@H](C)C(=O)NCc2ccccc2C)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)NCc1ccccc1C
CCn1c(S[C@H](C)C(=O)NCc2ccccc2C)nnc1C1CC1 Cc1ccccc1C[*:1] CCn1c(nnc1C1CC1)S[C@H](C)C(=O)N[*:1]
CCn1c(S[C@H](C)C(=O)NCc2ccccc2C)nnc1C1CC1 Cc1ccccc1[*:1] CCn1c(nnc1C1CC1)S[C@H](C)C(=O)NC[*:1]
O=C(NNC(=O)NC1CC1)Nc1ccc(Br)cc1Cl C1CC1[*:1] O=C(NNC(=O)N[*:1])Nc1ccc(Br)cc1Cl
O=C(Cc1ccc[nH]1)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1ccc[nH]1)NCc1[nH+]ccn1C[*:1]
O=C(Cc1ccc[nH]1)NCc1[nH+]ccn1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc[nH]1)NCc1[nH+]ccn1CC[*:1]
O=C(Cc1ccc[nH]1)NCc1[nH+]ccn1CCc1ccccc1 c1c[nH]c(c1)[*:1] O=C(C[*:1])NCc1[nH+]ccn1CCc1ccccc1
O=C(Cc1ccc[nH]1)NCc1[nH+]ccn1CCc1ccccc1 c1c[nH]c(c1)C[*:1] O=C(NCc1[nH+]ccn1CCc1ccccc1)[*:1]
COC(=O)C1=C(C)C(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)Nc1ccccc1C(=O)Nc1ccc2OCOc2c1
COC(=O)C1=C(C)C(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)=N[C@H]1C c1cc2OCOc2cc1[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)Nc1ccccc1C(=O)N[*:1]
C[C@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)NC(=O)NC1CCCC1 c1nnnn1[*:1] C[C@H](OC(=O)c1ccccc1[*:1])C(=O)NC(=O)NC1CCCC1
C[C@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)NC(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)NC(=O)N[*:1]
O=C(/C=C/c1ccccc1Cl)N1CCC(=O)N(CC[NH+]2CCCC2)CC1 Clc1ccccc1[*:1] O=C(C=C[*:1])N1CCC(=O)N(CC1)CC[NH+]1CCCC1
COC(=O)CC(=O)Cc1c[nH]c2ccccc12 COC(=O)[*:1] O=C(Cc1c[nH]c2ccccc12)C[*:1]
COC(=O)CC(=O)Cc1c[nH]c2ccccc12 COC(=O)C[*:1] O=C(Cc1c[nH]c2ccccc12)[*:1]
Cc1ccc(NC(=O)Nc2ccc3c(c2)C[NH+](Cc2ccccc2)C3)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1ccc2C[NH+](Cc3ccccc3)Cc2c1)N[*:1]
Cc1ccc(NC(=O)Nc2ccc3c(c2)C[NH+](Cc2ccccc2)C3)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)Nc1ccc2C[NH+](Cc2c1)C[*:1]
Cc1ccc(NC(=O)Nc2ccc3c(c2)C[NH+](Cc2ccccc2)C3)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)NC(=O)Nc1ccc2C[NH+](Cc2c1)[*:1]
COc1ccc(C)cc1N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O Clc1cccc(c1)[*:1] COc1ccc(C)cc1N(CC(=O)N[*:1])S(C)(=O)=O
Cc1ccc(Cl)c(O[C@H](C)C(=O)NCCc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(Cl)c(c1)O[C@H](C)C(=O)NCC[*:1]
C=CCNC(=O)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] C=CCNC(=O)C(=O)Nc1ccc(cc1)O[*:1]
C=CCNC(=O)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 C=CC[*:1] O=C(Nc1ccc(cc1)Oc1cccc(Cl)c1)C(=O)N[*:1]
COc1ccc([C@@H](Cl)Cc2ccncc2)cc1F c1cc(ccn1)[*:1] COc1ccc(cc1F)[C@@H](Cl)C[*:1]
C[C@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)c1cncc(F)c1 c1ccc(cc1)O[*:1] C[C@H]([NH2+]Cc1ccc(cc1)C[*:1])c1cncc(F)c1
C[C@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)c1cncc(F)c1 c1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)CO[*:1])c1cncc(F)c1
C[C@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)c1cncc(F)c1 c1ccc(cc1)OC[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1cncc(F)c1
C[C@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)c1cncc(F)c1 Fc1cncc(c1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)COc1ccccc1)[*:1]
CC[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)c1c(C)nn(C)c1C CS(=O)(=O)C[*:1] CC[C@@H]([NH2+][C@H](C)[*:1])c1c(C)nn(C)c1C
CC[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)c1c(C)nn(C)c1C CS(=O)(=O)[*:1] CC[C@@H]([NH2+][C@H](C)C[*:1])c1c(C)nn(C)c1C
Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 Cc1ccccc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1
Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 Cc1ccccc1NC(=O)[*:1] O=c1ccc2cc(ccc2[nH]1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)Cn1c(C)c(C)sc1=O COC(=O)[*:1] Cc1sc(=O)n(CC(C)(C)[*:1])c1C
O=C(NCC1([O-])CCC1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCC1([O-])CCC1)N[C@@H](CC(F)(F)F)[*:1]
O=C(NCC1([O-])CCC1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(NCC1([O-])CCC1)N[C@@H](C[*:1])c1ccc(F)cc1
O=C(NCC1([O-])CCC1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] O=C(NCC1([O-])CCC1)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)C[C@@H]1COCCN1CCn1c(=O)oc2cccnc21 CC(C)C[*:1] O=c1oc2cccnc2n1CCN1CCOC[C@H]1[*:1]
CC(C)C[C@@H]1COCCN1CCn1c(=O)oc2cccnc21 CC(C)[*:1] O=c1oc2cccnc2n1CCN1CCOC[C@H]1C[*:1]
Cc1cc(F)ccc1NC(=O)NC(C)(C)c1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] Cc1cc(F)ccc1NC(=O)NC(C)(C)[*:1]
Cc1cc(C)c(N2C(=O)C[C@@H](Nc3ccccc3C)C2=O)c(C)c1 Cc1ccccc1[*:1] Cc1cc(C)c(c(C)c1)N1C(=O)C[C@@H](N[*:1])C1=O
Cc1cc(C)c(N2C(=O)C[C@@H](Nc3ccccc3C)C2=O)c(C)c1 Cc1ccccc1N[*:1] Cc1cc(C)c(c(C)c1)N1C(=O)C[C@@H](C1=O)[*:1]
O[C@H](C[NH+]1CCN(c2ccccc2F)CC1)C(F)(F)F FC(F)(F)[*:1] O[C@H](C[NH+]1CCN(CC1)c1ccccc1F)[*:1]
Cc1cccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1C c1ccc(cc1)C[*:1] Cc1cccc(NC(=O)CSc2nnc(C)n2[*:1])c1C
Cc1cccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1C Cc1cccc(c1C)[*:1] Cc1nnc(SCC(=O)N[*:1])n1Cc1ccccc1
Cc1cccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)CSc2nnc(C)n2C[*:1])c1C
CCN(CCC(=O)OC)C(=O)/C=C/c1ccccc1 COC(=O)C[*:1] CCN(C[*:1])C(=O)/C=C/c1ccccc1
CCN(CCC(=O)OC)C(=O)/C=C/c1ccccc1 COC(=O)[*:1] CCN(CC[*:1])C(=O)/C=C/c1ccccc1
CCN(CCC(=O)OC)C(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CCN(CCC(=O)OC)C(=O)C=C[*:1]
CCN(CCC(=O)OC)C(=O)/C=C/c1ccccc1 COC(=O)CC[*:1] CCN(C(=O)/C=C/c1ccccc1)[*:1]
O=[N+]([O-])c1cc(/C=N\n2cncn2)ccc1N1CCCCC1 C1CCN(CC1)[*:1] O=[N+]([O-])c1cc(/C=N\n2cncn2)ccc1[*:1]
O=[N+]([O-])c1cc(/C=N\n2cncn2)ccc1N1CCCCC1 C(=Nn1cncn1)[*:1] O=[N+]([O-])c1cc(ccc1N1CCCCC1)[*:1]
O=[N+]([O-])c1cc(/C=N\n2cncn2)ccc1N1CCCCC1 O=[N+]([O-])[*:1] C(=N\n1cncn1)\c1ccc(c(c1)[*:1])N1CCCCC1
CCc1c(C(=O)NCCCc2cn[nH]c2C)cnn1-c1ccc(C)cc1 Cc1[nH]ncc1C[*:1] CCc1c(cnn1-c1ccc(C)cc1)C(=O)NCC[*:1]
CCc1c(C(=O)NCCCc2cn[nH]c2C)cnn1-c1ccc(C)cc1 Cc1[nH]ncc1[*:1] CCc1c(cnn1-c1ccc(C)cc1)C(=O)NCCC[*:1]
CCc1c(C(=O)NCCCc2cn[nH]c2C)cnn1-c1ccc(C)cc1 Cc1[nH]ncc1CC[*:1] CCc1c(cnn1-c1ccc(C)cc1)C(=O)NC[*:1]
CCc1c(C(=O)NCCCc2cn[nH]c2C)cnn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)NCCCc1cn[nH]c1C
C/[NH+]=C(\NCc1ccc([N+]2=CCCC2)cc1)NCc1ccnn1C Cn1nccc1[*:1] C/[NH+]=C(\NCc1ccc(cc1)[N+]1=CCCC1)NC[*:1]
C/[NH+]=C(\NCc1ccc([N+]2=CCCC2)cc1)NCc1ccnn1C Cn1nccc1C[*:1] C/[NH+]=C(\NCc1ccc(cc1)[N+]1=CCCC1)N[*:1]
Cc1nsc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1[*:1]
CCn1c(S[C@@H](C(=O)N2C[C@@H](C)C[C@H](C)C2)C(C)C)nnc1C1CC1 CC(C)[*:1] CCn1c(nnc1C1CC1)S[C@@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)[*:1]
CCn1c(S[C@@H](C(=O)N2C[C@@H](C)C[C@H](C)C2)C(C)C)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])S[C@@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)C
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N[C@@H]1C[C@H]1C CC(C)C[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)N[C@@H]1C[C@H]1C)[*:1]
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N[C@@H]1C[C@H]1C CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1/C=C/C(=O)N[C@@H]1C[C@H]1C
COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccncc1F COC(=O)[*:1] O=C(c1ccncc1F)N1[C@H]2CCCC[C@@H]2C[C@@H]1[*:1]
COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccncc1F Fc1cnccc1[*:1] COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[*:1]
CN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] CN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)C[C@@H]2COc3ccccc3NC2=O)cc1 CC(=O)[*:1] O=C(C[C@@H]1COc2ccccc2NC1=O)Nc1ccc(cc1)[*:1]
CCc1ccc(N2C[C@H](C(=O)Nc3c(C)cc(C)nc3Cl)CC2=O)cc1 CCc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])c(Cl)n1
CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[*:1]
Cc1ccc(OC(=O)c2nc(C3CC3)n3ccccc23)c([N+](=O)[O-])c1 C1CC1[*:1] Cc1ccc(OC(=O)c2nc(n3ccccc23)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(OC(=O)c2nc(C3CC3)n3ccccc23)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OC(=O)c2nc(C3CC3)n3ccccc23)c(c1)[*:1]
O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 c1cc(ccn1)-n1nccc1[*:1] O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)C(=O)N[*:1]
O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@H](C[*:1])c1cccc(F)c1
O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@H](Cc1cccc(F)c1)[*:1]
O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@H](c1cccc(F)c1)[*:1]
O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 c1cc(ccn1)[*:1] O=C(Nc1ccnn1[*:1])C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1
CCN(C(=O)c1ccc2c(c1)C(=O)N([C@@H](C)COC)C2=O)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)c1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)COC)[*:1]
CCN(C(=O)c1ccc2c(c1)C(=O)N([C@@H](C)COC)C2=O)C1CCCCC1 COC[*:1] CCN(C(=O)c1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)[*:1])C1CCCCC1
CC(=O)N(Cc1ccc(NC(=O)[C@H](NC(N)=O)C(C)C)cc1)C1CC1 CC(=O)N(C1CC1)[*:1] CC(C)[C@@H](NC(N)=O)C(=O)Nc1ccc(cc1)C[*:1]
CC(=O)N(Cc1ccc(NC(=O)[C@H](NC(N)=O)C(C)C)cc1)C1CC1 NC(=O)N[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)[C@H](C(C)C)[*:1])C1CC1
CC(=O)N(Cc1ccc(NC(=O)[C@H](NC(N)=O)C(C)C)cc1)C1CC1 CC(C)[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)[C@H](NC(N)=O)[*:1])C1CC1
CC(=O)N(Cc1ccc(NC(=O)[C@H](NC(N)=O)C(C)C)cc1)C1CC1 C1CC1[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)[C@H](NC(N)=O)C(C)C)[*:1]
CC(=O)N(Cc1ccc(NC(=O)[C@H](NC(N)=O)C(C)C)cc1)C1CC1 CC(=O)N(C[*:1])C1CC1 CC(C)[C@@H](NC(N)=O)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)N(Cc1ccc(NC(=O)[C@H](NC(N)=O)C(C)C)cc1)C1CC1 CC(C)[C@@H](NC(N)=O)[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)[*:1])C1CC1
Nc1c(NCc2ccc(F)cc2)ncnc1NCc1ccc2c(c1)OCO2 Fc1ccc(cc1)C[*:1] Nc1c(ncnc1N[*:1])NCc1ccc2OCOc2c1
Nc1c(NCc2ccc(F)cc2)ncnc1NCc1ccc2c(c1)OCO2 Fc1ccc(cc1)CN[*:1] Nc1c(ncnc1[*:1])NCc1ccc2OCOc2c1
Nc1c(NCc2ccc(F)cc2)ncnc1NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Nc1c(ncnc1NC[*:1])NCc1ccc(F)cc1
Nc1c(NCc2ccc(F)cc2)ncnc1NCc1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] Nc1c(ncnc1NC[*:1])NCc1ccc2OCOc2c1
CCC[NH2+][C@H](CC)c1nnc(-c2ccncc2Cl)o1 CCC[*:1] CC[C@@H]([NH2+][*:1])c1nnc(o1)-c1ccncc1Cl
C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] C=CCOc1c(cccc1[C@@H]1CC(=O)Nc2c1cnn2[*:1])OC
C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 C=CC[*:1] COc1cccc(c1O[*:1])[C@@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1
C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 C=CCO[*:1] COc1cccc(c1[*:1])[C@@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1
CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(C)cc2)s1 c1ccc(cc1)[*:1] CC[C@@H](c1nnc(NC(=O)c2ccc(C)cc2)s1)[*:1]
CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(C)cc2)s1 Cc1ccc(cc1)[*:1] CC[C@@H](c1ccccc1)c1nnc(NC(=O)[*:1])s1
CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)CC1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)N[*:1]
CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)CC1 O=C(Nc1ccccc1)[*:1] CC(C)(C)C(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)CC1 CC(C)(C)[*:1] O=C(Nc1ccccc1)c1ccc(nn1)N1CCN(CC1)C(=O)[*:1]
Cc1nc2ccccc2c(=O)n1/N=C\c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc2ccccc2c(=O)n1N=C[*:1]
CCOCC(=O)N1CC[C@@H](Nc2ncnc3c2CCC3)C1 CCO[*:1] O=C(C[*:1])N1CC[C@H](C1)Nc1ncnc2CCCc21
CCOCC(=O)N1CC[C@@H](Nc2ncnc3c2CCC3)C1 CCOC[*:1] O=C(N1CC[C@H](C1)Nc1ncnc2CCCc21)[*:1]
CC(C)(C)OC(=O)c1ccnc(Cl)c1 CC(C)(C)[*:1] O=C(O[*:1])c1ccnc(Cl)c1
Cc1cc(S(=O)(=O)N(Cc2ccccn2)c2ccncc2)c(C)s1 c1cc(ccn1)[*:1] Cc1cc(c(C)s1)S(=O)(=O)N(Cc1ccccn1)[*:1]
Cc1cc(S(=O)(=O)N(Cc2ccccn2)c2ccncc2)c(C)s1 c1ccc(nc1)[*:1] Cc1cc(c(C)s1)S(=O)(=O)N(C[*:1])c1ccncc1
Cc1cc(S(=O)(=O)N(Cc2ccccn2)c2ccncc2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=S(=O)(N(Cc1ccccn1)c1ccncc1)[*:1]
Cc1cc(S(=O)(=O)N(Cc2ccccn2)c2ccncc2)c(C)s1 c1ccc(C[*:1])nc1 Cc1cc(c(C)s1)S(=O)(=O)N(c1ccncc1)[*:1]
O=C(CNC(=O)c1ccccc1)NCCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CNC(=O)c1ccccc1)NCC[*:1]
O=C(CNC(=O)c1ccccc1)NCCc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])NCCc1cccc(Cl)c1
CCCc1cc(N2CCC[C@H]2Cn2cncn2)n2ncnc2n1 c1ncn(C[*:1])n1 CCCc1cc(N2CCC[C@@H]2[*:1])n2ncnc2n1
CCCc1cc(N2CCC[C@H]2Cn2cncn2)n2ncnc2n1 c1ncn(n1)[*:1] CCCc1cc(N2CCC[C@H]2C[*:1])n2ncnc2n1
CCCc1cc(N2CCC[C@H]2Cn2cncn2)n2ncnc2n1 CCC[*:1] c1ncn(C[C@@H]2CCCN2c2cc(nc3ncnn23)[*:1])n1
CCOC(OCC)[C@H]([NH3+])c1ccsc1 CCO[*:1] CCOC([C@H]([NH3+])c1ccsc1)[*:1]
Cc1ccc(-c2n[nH]c(SCc3nc(-c4ccsc4)no3)n2)cc1 Cc1ccc(cc1)[*:1] c1cc(cs1)-c1noc(CSc2nc(n[nH]2)[*:1])n1
Cc1ccc(-c2n[nH]c(SCc3nc(-c4ccsc4)no3)n2)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)SCc1nc(no1)[*:1]
COCCO[C@@H](C)C(=O)Nc1cc(F)c(F)cc1F COC[*:1] C[C@H](OC[*:1])C(=O)Nc1cc(F)c(F)cc1F
COCCO[C@@H](C)C(=O)Nc1cc(F)c(F)cc1F COCC[*:1] C[C@H](O[*:1])C(=O)Nc1cc(F)c(F)cc1F
COCCO[C@@H](C)C(=O)Nc1cc(F)c(F)cc1F COCCO[*:1] C[C@@H](C(=O)Nc1cc(F)c(F)cc1F)[*:1]
N#Cc1nc(-c2ccccc2Cl)oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O Clc1ccccc1[*:1] N#Cc1nc(oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)[*:1]
COC(=O)c1ccc(Nc2nc(N3CC[NH+](C)CC3)c3ccccc3n2)cc1 COC(=O)[*:1] C[NH+]1CCN(CC1)c1nc(nc2ccccc12)Nc1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)NC(C)C)c2)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)[N-]c1cncc(c1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)NC(C)C)c2)cc1 CC(C)NC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)[N-]c1cncc(c1)[*:1]
COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)NC(C)C)c2)cc1 COc1ccc(cc1)[*:1] CC(C)NC(=O)c1cncc(c1)[N-]S(=O)(=O)[*:1]
CCc1nn(C)c(NCC2([NH+]3CCSCC3)CCCC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(NCC2(CCCC2)[NH+]2CCSCC2)c1[*:1]
Cc1ccccc1C(=O)N1CCC(C(=O)OCc2cccc(C#N)c2)CC1 Cc1ccccc1[*:1] N#Cc1cccc(c1)COC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccccc1C(=O)N1CCC(C(=O)OCc2cccc(C#N)c2)CC1 N#Cc1cccc(c1)[*:1] Cc1ccccc1C(=O)N1CCC(CC1)C(=O)OC[*:1]
Cc1ccccc1C(=O)N1CCC(C(=O)OCc2cccc(C#N)c2)CC1 N#Cc1cccc(c1)C[*:1] Cc1ccccc1C(=O)N1CCC(CC1)C(=O)O[*:1]
CCN1CC(=O)N(CCCCC(=O)NN)CC1=O NNC(=O)CC[*:1] CCN1CC(=O)N(CC[*:1])CC1=O
CCN1CC(=O)N(CCCCC(=O)NN)CC1=O NNC(=O)[*:1] CCN1CC(=O)N(CCCC[*:1])CC1=O
CCN1CC(=O)N(CCCCC(=O)NN)CC1=O NNC(=O)C[*:1] CCN1CC(=O)N(CCC[*:1])CC1=O
COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@@H](C)C(=O)[O-])CC1)CC2=O O=C([O-])[*:1] COc1ccc2C(=O)C[C@]3(CCC(=O)N(CC3)[C@@H](C)[*:1])Oc2c1
CN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)c(C#N)c([O-])n2)cc1 CN(C)S(=O)(=O)[*:1] N#Cc1c(cc(nc1[O-])-c1ccc(cc1)[*:1])C(F)(F)F
CN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)c(C#N)c([O-])n2)cc1 FC(F)(F)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)-c1cc(c(C#N)c([O-])n1)[*:1]
Cc1ccccc1CN1CCN(CC(=O)NCc2ccco2)C1=O Cc1ccccc1[*:1] O=C(CN1CCN(C[*:1])C1=O)NCc1ccco1
Cc1ccccc1CN1CCN(CC(=O)NCc2ccco2)C1=O Cc1ccccc1C[*:1] O=C(CN1CCN(C1=O)[*:1])NCc1ccco1
Cc1ccccc1CN1CCN(CC(=O)NCc2ccco2)C1=O c1coc(c1)[*:1] Cc1ccccc1CN1CCN(CC(=O)NC[*:1])C1=O
Cc1ccccc1CN1CCN(CC(=O)NCc2ccco2)C1=O c1coc(c1)C[*:1] Cc1ccccc1CN1CCN(CC(=O)N[*:1])C1=O
CN(C)C(=O)c1ccc(NC(=O)C[NH+](C)Cc2cnn(-c3ccccc3)c2)cc1 CN(C)C(=O)[*:1] C[NH+](CC(=O)Nc1ccc(cc1)[*:1])Cc1cnn(c1)-c1ccccc1
CN(C)C(=O)c1ccc(NC(=O)C[NH+](C)Cc2cnn(-c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)C[NH+](C)Cc1cnn(c1)[*:1]
CCc1ccc(-c2nc(C(=O)N3CC[NH+]([C@@H](C(=O)OC)c4ccc(F)cc4)CC3)cs2)cc1 CCc1ccc(cc1)[*:1] COC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC1)C(=O)c1csc(n1)[*:1]
CCc1ccc(-c2nc(C(=O)N3CC[NH+]([C@@H](C(=O)OC)c4ccc(F)cc4)CC3)cs2)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)-c1nc(cs1)C(=O)N1CC[NH+](CC1)[C@@H](C(=O)OC)[*:1]
CCc1ccc(-c2nc(C(=O)N3CC[NH+]([C@@H](C(=O)OC)c4ccc(F)cc4)CC3)cs2)cc1 COC(=O)[*:1] CCc1ccc(cc1)-c1nc(cs1)C(=O)N1CC[NH+](CC1)[C@@H](c1ccc(F)cc1)[*:1]
CCc1cnc([C@@H](C)NC(=O)Nc2ccc(C(=O)OC)c(C)c2)s1 COC(=O)[*:1] CCc1cnc(s1)[C@@H](C)NC(=O)Nc1ccc(c(C)c1)[*:1]
CCc1cnc([C@@H](C)NC(=O)Nc2ccc(C(=O)OC)c(C)c2)s1 CCc1cnc(s1)[*:1] COC(=O)c1ccc(cc1C)NC(=O)N[C@H](C)[*:1]
COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1cnc2ccccc2c1 COc1ccccc1C[*:1] O=C(Nc1cnc2ccccc2c1)C(=O)N1CCC[C@@H]1[*:1]
COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1cnc2ccccc2c1 COc1ccccc1[*:1] O=C(Nc1cnc2ccccc2c1)C(=O)N1CCC[C@@H]1C[*:1]
Cc1ccc(N(CCC#N)C(=O)CN2CC[NH+](C(C)C)CC2)cc1C N#CC[*:1] Cc1ccc(cc1C)N(C[*:1])C(=O)CN1CC[NH+](CC1)C(C)C
Cc1ccc(N(CCC#N)C(=O)CN2CC[NH+](C(C)C)CC2)cc1C Cc1ccc(cc1C)[*:1] CC(C)[NH+]1CCN(CC1)CC(=O)N(CCC#N)[*:1]
Cc1ccc(N(CCC#N)C(=O)CN2CC[NH+](C(C)C)CC2)cc1C N#CCC[*:1] Cc1ccc(cc1C)N(C(=O)CN1CC[NH+](CC1)C(C)C)[*:1]
Cc1ccc(N(CCC#N)C(=O)CN2CC[NH+](C(C)C)CC2)cc1C CC(C)[*:1] Cc1ccc(cc1C)N(CCC#N)C(=O)CN1CC[NH+](CC1)[*:1]
CCC[C@@H]1NC(=O)N(C[C@H]2CSc3ccccc32)C1=O CCC[*:1] O=C1N[C@H](C(=O)N1C[C@H]1CSc2ccccc21)[*:1]
CN(C)C(=O)COc1cccc(NC(=O)[C@@H](O)c2ccccc2)c1 CN(C)C(=O)CO[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H](O)c1ccccc1
CN(C)C(=O)COc1cccc(NC(=O)[C@@H](O)c2ccccc2)c1 O[C@@H](c1ccccc1)[*:1] CN(C)C(=O)COc1cccc(c1)NC(=O)[*:1]
CN(C)C(=O)COc1cccc(NC(=O)[C@@H](O)c2ccccc2)c1 CN(C)C(=O)C[*:1] O=C(Nc1cccc(c1)O[*:1])[C@@H](O)c1ccccc1
CN(C)C(=O)COc1cccc(NC(=O)[C@@H](O)c2ccccc2)c1 CN(C)C(=O)[*:1] O=C(Nc1cccc(c1)OC[*:1])[C@@H](O)c1ccccc1
CN(C)C(=O)COc1cccc(NC(=O)[C@@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)COc1cccc(c1)NC(=O)[C@@H](O)[*:1]
Cc1nc2c(c(N3CCOCC3)n1)CN(C(=O)Nc1cccc(C#N)c1)CC2 C1CN(CCO1)[*:1] Cc1nc2CCN(Cc2c(n1)[*:1])C(=O)Nc1cccc(C#N)c1
Cc1nc2c(c(N3CCOCC3)n1)CN(C(=O)Nc1cccc(C#N)c1)CC2 N#Cc1cccc(c1)[*:1] Cc1nc2CCN(Cc2c(n1)N1CCOCC1)C(=O)N[*:1]
CC(C)n1c([C@@H](C)N[C@H](C)c2cccnc2Cl)nc2ccccc21 Clc1ncccc1[*:1] CC(C)n1c(nc2ccccc21)[C@@H](C)N[C@H](C)[*:1]
CC(C)n1c([C@@H](C)N[C@H](C)c2cccnc2Cl)nc2ccccc21 CC(C)[*:1] C[C@@H](N[C@H](C)c1nc2ccccc2n1[*:1])c1cccnc1Cl
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2Br)n1C O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)CSc1nnc(-c2ccccc2Br)n1C)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2Br)n1C Brc1ccccc1[*:1] COc1cc(ccc1NC(=O)CSc1nnc(n1C)[*:1])[N+](=O)[O-]
Cc1nc([C@H](C)N(C)C(=O)c2c[nH]nc2-c2ccccc2)c(C)s1 c1ccc(cc1)[*:1] Cc1nc(c(C)s1)[C@H](C)N(C)C(=O)c1c[nH]nc1[*:1]
Cc1nc([C@H](C)N(C)C(=O)c2c[nH]nc2-c2ccccc2)c(C)s1 Cc1nc(c(C)s1)[*:1] C[C@H](N(C)C(=O)c1c[nH]nc1-c1ccccc1)[*:1]
O=C1Nc2ccc(-c3ccco3)cc2C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]12 c1coc(c1)[*:1] O=C1Nc2ccc(cc2C(=O)N2CCN(C[C@@H]12)C(=O)c1ccc(cc1)C(F)(F)F)[*:1]
O=C1Nc2ccc(-c3ccco3)cc2C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]12 FC(F)(F)c1ccc(cc1)[*:1] O=C1Nc2ccc(cc2C(=O)N2CCN(C[C@@H]12)C(=O)[*:1])-c1ccco1
O=C1Nc2ccc(-c3ccco3)cc2C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]12 FC(F)(F)[*:1] O=C1Nc2ccc(cc2C(=O)N2CCN(C[C@@H]12)C(=O)c1ccc(cc1)[*:1])-c1ccco1
Cc1cc(OCCCC(=O)NC(C)C)cc(C)c1Cl CC(C)[*:1] Cc1cc(cc(C)c1Cl)OCCCC(=O)N[*:1]
Cc1cc(OCCCC(=O)NC(C)C)cc(C)c1Cl CC(C)NC(=O)[*:1] Cc1cc(cc(C)c1Cl)OCCC[*:1]
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC(C)(C)Cc2ccccc2Cl)C1 CC[C@H](C)[*:1] CC(C)(Cc1ccccc1Cl)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC(C)(C)Cc2ccccc2Cl)C1 Clc1ccccc1[*:1] CC[C@H](C)C(=O)N1CCC[C@@H](C1)C(=O)NC(C)(C)C[*:1]
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NC(C)(C)Cc2ccccc2Cl)C1 Clc1ccccc1C[*:1] CC[C@H](C)C(=O)N1CCC[C@@H](C1)C(=O)NC(C)(C)[*:1]
CCc1nc(C[NH+]2CCN(Cc3nc(-c4ccco4)no3)CC2)no1 CCc1nc(no1)[*:1] c1coc(c1)-c1noc(CN2CC[NH+](CC2)C[*:1])n1
CCc1nc(C[NH+]2CCN(Cc3nc(-c4ccco4)no3)CC2)no1 c1coc(c1)[*:1] CCc1nc(C[NH+]2CCN(CC2)Cc2nc(no2)[*:1])no1
CCc1nc(C[NH+]2CCN(Cc3nc(-c4ccco4)no3)CC2)no1 CCc1nc(C[*:1])no1 c1coc(c1)-c1noc(CN2CC[NH+](CC2)[*:1])n1
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CC=CCC2)cc1 CC[C@@H](C)[*:1] O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ccc(cc1)O[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CC=CCC2)cc1 CC[C@@H](C)O[*:1] O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ccc(cc1)[*:1]
CSc1ncc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)cn1 c1ccc(CO[*:1])nc1 CSc1ncc(cn1)C(=O)N1CCC[C@H](C1)[*:1]
CSc1ncc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)cn1 c1ccc(nc1)[*:1] CSc1ncc(cn1)C(=O)N1CCC[C@@H](C1)OC[*:1]
CSc1ncc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)cn1 CSc1ncc(cn1)[*:1] O=C(N1CCC[C@@H](C1)OCc1ccccn1)[*:1]
CSc1ncc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)cn1 c1ccc(C[*:1])nc1 CSc1ncc(cn1)C(=O)N1CCC[C@@H](C1)O[*:1]
COc1ccc(CNC(=O)C[C@@H]2Sc3ccccc3N=C2O)cc1 COc1ccc(cc1)[*:1] O=C(C[C@@H]1Sc2ccccc2N=C1O)NC[*:1]
C[C@H](NC(=O)c1cc(C(C)(C)C)on1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cc(on1)C(C)(C)C)c1noc(C[*:1])n1
C[C@H](NC(=O)c1cc(C(C)(C)C)on1)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)c1cc(on1)C(C)(C)C)c1noc(n1)[*:1]
C[C@H](NC(=O)c1cc(C(C)(C)C)on1)c1noc(Cc2ccccc2)n1 CC(C)(C)[*:1] C[C@H](NC(=O)c1cc(on1)[*:1])c1noc(Cc2ccccc2)n1
COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1 C1CC1[*:1] COc1ccccc1N1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1 COc1ccccc1[*:1] O=C([C@@H]1CCCN1C(=O)C1CC1)N1CCN(CC1)[*:1]
COC(=O)c1ccccc1-c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] COC(=O)c1ccccc1-c1nc(no1)[*:1]
COC(=O)c1ccccc1-c1nc(-c2ccccc2)no1 COC(=O)[*:1] c1ccc(cc1)-c1noc(n1)-c1ccccc1[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 CC[C@@H](C)NC(=O)C[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)NC[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 CC[C@@H](C)[*:1] O=C(CCNC(=O)N1CCC[C@H](C1)C(=O)Nc1ccccc1)N[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 CC[C@@H](C)NC(=O)[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)NCC[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 O=C(Nc1ccccc1)[*:1] CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@@H](C1)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 CC[C@@H](C)NC(=O)CC[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)N[*:1]
C[C@H]1Cc2ccccc2[C@H]1NC(=O)NOC1CCCC1 C1CCC(C1)[*:1] C[C@H]1Cc2ccccc2[C@H]1NC(=O)NO[*:1]
COC(C)(C)C(=O)[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] COC(C)(C)C(=O)[C@@H]1CCC[C@@H](C1)[*:1]
COC(C)(C)C(=O)[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 COC(C)(C)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)C(=O)[*:1]
c1coc(-c2ccnc3nc(CCC4CCCC4)nn23)c1 C1CCC(C1)[*:1] c1coc(c1)-c1ccnc2nc(CC[*:1])nn12
c1coc(-c2ccnc3nc(CCC4CCCC4)nn23)c1 C1CCC(C1)CC[*:1] c1coc(c1)-c1ccnc2nc(nn12)[*:1]
c1coc(-c2ccnc3nc(CCC4CCCC4)nn23)c1 c1coc(c1)[*:1] c1cc(n2nc(CCC3CCCC3)nc2n1)[*:1]
c1coc(-c2ccnc3nc(CCC4CCCC4)nn23)c1 C1CCC(C1)C[*:1] c1coc(c1)-c1ccnc2nc(C[*:1])nn12
CCOc1cc(C)ccc1S(=O)(=O)N1CCCCC1 CCO[*:1] Cc1ccc(c(c1)[*:1])S(=O)(=O)N1CCCCC1
O=C([O-])[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C[C@]23C=C[C@H]1O3 O=C([O-])[*:1] O=C1[C@H]2[C@H]([C@H]3C=C[C@]2(CN1C1CCCCC1)O3)[*:1]
O=C([O-])[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C[C@]23C=C[C@H]1O3 C1CCC(CC1)[*:1] O=C([O-])[C@@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
CSc1ccccc1C(=O)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] CSc1ccccc1C(=O)N(CCC[NH+]1CCOCC1)[*:1]
CSc1ccccc1C(=O)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1 CSc1ccccc1[*:1] O=C(N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1)[*:1]
CC[C@@H]1C(=O)NC(=O)CN1[C@@H](C)c1ccc(C(=O)OC)o1 COC(=O)[*:1] CC[C@@H]1C(=O)NC(=O)CN1[C@@H](C)c1ccc(o1)[*:1]
O=C(NCCCOC[C@H]1CCCO1)c1ccc(F)cc1Cl C1CO[C@H](C1)C[*:1] O=C(NCCCO[*:1])c1ccc(F)cc1Cl
O=C(NCCCOC[C@H]1CCCO1)c1ccc(F)cc1Cl C1CO[C@H](C1)CO[*:1] O=C(NCCC[*:1])c1ccc(F)cc1Cl
O=C(NCCCOC[C@H]1CCCO1)c1ccc(F)cc1Cl C1CO[C@H](C1)[*:1] O=C(NCCCOC[*:1])c1ccc(F)cc1Cl
CC(C)(CNc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(CNc1ccc(cc1)[N+](=O)[O-])NC(=O)O[*:1]
CC(C)(CNc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C O=[N+]([O-])[*:1] CC(C)(CNc1ccc(cc1)[*:1])NC(=O)OC(C)(C)C
CCSc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)ccn1 CCS[*:1] O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccnc(c1)[*:1]
c1cnc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nc1 c1cnc(nc1)[*:1] c1ccc2[nH]c(nc2c1)[C@H]1CCCN(C1)[*:1]
O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(=O)oc1 O=c1ccc(co1)[*:1] O=C(Nc1cccc(c1)-c1nc2ccccc2[nH]1)[*:1]
CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c1 CC(=O)N[*:1] C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(ccc1Cl)[*:1]
CCCC[C@H](COC)NC(=O)Nc1ccccc1Br COC[*:1] CCCC[C@H](NC(=O)Nc1ccccc1Br)[*:1]
CCCC[C@H](COC)NC(=O)Nc1ccccc1Br CCC[*:1] COC[C@@H](C[*:1])NC(=O)Nc1ccccc1Br
CCCC[C@H](COC)NC(=O)Nc1ccccc1Br CCCC[*:1] COC[C@H](NC(=O)Nc1ccccc1Br)[*:1]
Cc1nc(N2CCC(Cn3cc[nH+]c3)CC2)cc(C(C)C)[nH+]1 CC(C)[*:1] Cc1nc(cc([nH+]1)[*:1])N1CCC(CC1)Cn1cc[nH+]c1
CC#CC[C@](CC)(CCCC)C(=O)[O-] CCC[*:1] CC#CC[C@](CC)(C[*:1])C(=O)[O-]
CC#CC[C@](CC)(CCCC)C(=O)[O-] O=C([O-])[*:1] CC#CC[C@](CC)(CCCC)[*:1]
CC#CC[C@](CC)(CCCC)C(=O)[O-] CC#C[*:1] CCCC[C@@](CC)(C[*:1])C(=O)[O-]
CC#CC[C@](CC)(CCCC)C(=O)[O-] CCCC[*:1] CC#CC[C@](CC)(C(=O)[O-])[*:1]
CC#CC[C@](CC)(CCCC)C(=O)[O-] CC#CC[*:1] CCCC[C@@](CC)(C(=O)[O-])[*:1]
COC(=O)[C@]1(N)CCC[C@@H]1CCSc1cccc(C)c1 COC(=O)[*:1] Cc1cccc(c1)SCC[C@H]1CCC[C@]1(N)[*:1]
CC(=O)c1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 CC(=O)[*:1] C[C@H](C(=O)Nc1ccc2OCOc2c1)[NH+]1CCN(CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] C[C@H](C(=O)Nc1ccc2OCOc2c1)[NH+]1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 c1cc2OCOc2cc1[*:1] CC(=O)c1ccc(cc1)N1CC[NH+](CC1)[C@H](C)C(=O)N[*:1]
CC(=O)c1cc(C(=O)N(C)c2cccc3ncccc23)n(C)c1 CC(=O)[*:1] CN(C(=O)c1cc(cn1C)[*:1])c1cccc2ncccc12
Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] O=C(N[*:1])c1ccco1 Cc1ccc(cc1[N+](=O)[O-])NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] c1coc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccc(cc1)NC(=O)c1ccco1
Cc1ccc(NC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1C O=C1CCCN1[*:1] Cc1ccc(cc1C)NC(=O)[C@H]1CCCN1c1nnc(s1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])[C@H]1CCCN1c1nnc(s1)N1CCCC1=O
CC(=O)c1cccc(OC(=O)/C=C/c2cn(CCC#N)c3ccccc23)c1 CC(=O)c1cccc(c1)[*:1] N#CCCn1cc(/C=C/C(=O)O[*:1])c2ccccc21
CC(=O)c1cccc(OC(=O)/C=C/c2cn(CCC#N)c3ccccc23)c1 N#CCC[*:1] CC(=O)c1cccc(c1)OC(=O)/C=C/c1cn(c2ccccc12)[*:1]
CC(=O)c1cccc(OC(=O)/C=C/c2cn(CCC#N)c3ccccc23)c1 CC(=O)[*:1] N#CCCn1cc(/C=C/C(=O)Oc2cccc(c2)[*:1])c2ccccc21
CC(=O)c1cccc(OC(=O)/C=C/c2cn(CCC#N)c3ccccc23)c1 N#CC[*:1] CC(=O)c1cccc(c1)OC(=O)/C=C/c1cn(C[*:1])c2ccccc12
C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1F)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1F)[*:1]
C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1F)c1cccc(F)c1 Fc1ccc(c(F)c1)[*:1] C[NH+](C)[C@@H](CNC(=O)C[*:1])c1cccc(F)c1
CC(C)N1C(=O)c2ccc(C(=O)NCc3ccc4c(c3)CCC4)cc2S1(=O)=O c1cc2CCCc2cc1[*:1] CC(C)N1C(=O)c2ccc(cc2S1(=O)=O)C(=O)NC[*:1]
CC(C)N1C(=O)c2ccc(C(=O)NCc3ccc4c(c3)CCC4)cc2S1(=O)=O CC(C)[*:1] O=C(NCc1ccc2CCCc2c1)c1ccc2C(=O)N(S(=O)(=O)c2c1)[*:1]
O=C(C#Cc1ccccc1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(C#Cc1ccccc1)NC[C@H](c1ccc(F)cc1)[*:1]
O=C(C#Cc1ccccc1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 C(#C[*:1])c1ccccc1 O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[*:1]
O=C(C#Cc1ccccc1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 Fc1ccc(cc1)[*:1] O=C(C#Cc1ccccc1)NC[C@H](N1CCOCC1)[*:1]
O=C(C#Cc1ccccc1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(C#C[*:1])NC[C@H](c1ccc(F)cc1)N1CCOCC1
C=CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccco2)cc1 c1coc(c1)C[*:1] C=CCOc1ccc(cc1)[C@H]1c2c(oc3ccc(Br)cc3c2=O)C(=O)N1[*:1]
C=CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccco2)cc1 C=CCO[*:1] O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccc(cc2)[*:1])N1Cc1ccco1
C=CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccco2)cc1 C=CCOc1ccc(cc1)[*:1] O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](N1Cc1ccco1)[*:1]
C=CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccco2)cc1 C=CC[*:1] O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccc(cc2)O[*:1])N1Cc1ccco1
C=CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccco2)cc1 c1coc(c1)[*:1] C=CCOc1ccc(cc1)[C@H]1c2c(oc3ccc(Br)cc3c2=O)C(=O)N1C[*:1]
CC(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccc(C)cc21 c1ccc(cc1)C[*:1] CC(=O)N[C@H]1C(=O)N(c2ccc(C)cc21)[*:1]
CC(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccc(C)cc21 CC(=O)N[*:1] Cc1ccc2c(c1)[C@H](C(=O)N2Cc1ccccc1)[*:1]
CC(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccc(C)cc21 c1ccc(cc1)[*:1] CC(=O)N[C@H]1C(=O)N(C[*:1])c2ccc(C)cc21
O=C(COCc1cc(-c2cccs2)on1)N1CCN(c2ccccc2F)CC1 c1csc(c1)[*:1] O=C(COCc1cc(on1)[*:1])N1CCN(CC1)c1ccccc1F
O=C(COCc1cc(-c2cccs2)on1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(COCc1cc(on1)-c1cccs1)N1CCN(CC1)[*:1]
Cc1ccc(CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1 Cc1ccc(cc1)[*:1] Cc1sc2nc(SC[*:1])n(C)c(=O)c2c1C
COc1ccc(-c2ncc([C@@H]3C[C@H]4CN(c5ccccc5)C(=O)[C@]45CCCN35)cn2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1ncc(cn1)[C@@H]1C[C@H]2CN(C(=O)[C@]23CCCN13)[*:1]
COc1ccc(-c2ncc([C@@H]3C[C@H]4CN(c5ccccc5)C(=O)[C@]45CCCN35)cn2)cc1 COc1ccc(cc1)[*:1] O=C1N(C[C@@H]2C[C@@H](c3cnc(nc3)[*:1])N3CCC[C@@]123)c1ccccc1
CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 Clc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)[C@H]1CC[C@@H](C[NH3+])O1
O=C(c1ccco1)N1CCN(C(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)CC1 c1coc(c1)[*:1] O=C(c1cc(ccc1Cl)N1C(=O)CCS1(=O)=O)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccco1)N1CCN(C(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)CC1 O=C1CCS(=O)(=O)N1[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)c1cc(ccc1Cl)[*:1]
CCc1nn(C)c2c1nc(N)n2[C@H](C)Cc1ccsc1 c1cc(cs1)[*:1] CCc1nn(C)c2c1nc(N)n2[C@H](C)C[*:1]
CCc1nn(C)c2c1nc(N)n2[C@H](C)Cc1ccsc1 c1cc(cs1)C[*:1] CCc1nn(C)c2c1nc(N)n2[C@H](C)[*:1]
CCc1ccc(C/C=C/CC[NH2+]C(C)(C)C)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)C/C=C/CC[NH2+][*:1]
O=C(N[C@H]1CCCCNC1=O)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CCCCNC1=O)c1ccc(=O)n(n1)[*:1]
O=C(N[C@H]1CCCCNC1=O)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCCCNC1=O)c1ccc(=O)n(C[*:1])n1
Cc1noc(Cl)c1CC(=O)N(C)C1CCN(c2cccc(F)c2)CC1 Cc1noc(Cl)c1C[*:1] CN(C(=O)[*:1])C1CCN(CC1)c1cccc(F)c1
Cc1noc(Cl)c1CC(=O)N(C)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] Cc1noc(Cl)c1CC(=O)N(C)C1CCN(CC1)[*:1]
Cc1noc(Cl)c1CC(=O)N(C)C1CCN(c2cccc(F)c2)CC1 Cc1noc(Cl)c1[*:1] CN(C(=O)C[*:1])C1CCN(CC1)c1cccc(F)c1
Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)[C@@H](C)O O=[N+]([O-])[*:1] Cc1cc(Br)cc(c1O[C@@H](C)[C@@H](C)O)[*:1]
Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)[C@@H](C)O C[C@@H](O)[*:1] Cc1cc(Br)cc(c1O[C@@H](C)[*:1])[N+](=O)[O-]
CN(CCO)C(=O)c1cccc2c1-c1ccccc1C2=O CN(CCO)C(=O)[*:1] O=C1c2ccccc2-c2c1cccc2[*:1]
CN(CCO)C(=O)c1cccc2c1-c1ccccc1C2=O OCC[*:1] CN(C(=O)c1cccc2C(=O)c3ccccc3-c21)[*:1]
CO[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)[C@H]1C[C@H]1[*:1])c1ccc(F)cc1
CO[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)[*:1]
Cn1ccc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)n1 Cn1ccc(n1)[*:1] O=C(Nc1nnc(o1)[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccccc1
Cn1ccc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)n1 c1ccc(cc1)[*:1] Cn1ccc(n1)-c1nnc(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)[*:1])o1
C[C@H](CC(=O)N(C)C)[NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1 CN(C)C(=O)[*:1] C[C@H](C[*:1])[NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1
C[C@H](CC(=O)N(C)C)[NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N(C)C)[NH2+]C[C@H](C(=O)N1CCOCC1)[*:1]
C[C@H](CC(=O)N(C)C)[NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1 CN(C)C(=O)C[*:1] C[C@H]([NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1)[*:1]
C[C@H](CC(=O)N(C)C)[NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1 O=C(N1CCOCC1)[*:1] C[C@H](CC(=O)N(C)C)[NH2+]C[C@H](c1ccccc1)[*:1]
Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2c[nH]nc2-n2cnnn2)c1C c1nnnn1[*:1] Cc1ccccc1-n1ncc(c1C)[C@@H](C)NC(=O)c1c[nH]nc1[*:1]
Cc1ccccc1-n1ncc([C@@H](C)NC(=O)c2c[nH]nc2-n2cnnn2)c1C Cc1ccccc1[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC(=O)c1c[nH]nc1-n1cnnn1
CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1nc(C)n[nH]1 c1ccc(cc1)S[*:1] CC[C@@H](NC(=O)c1ccc(cc1)C[*:1])c1nc(C)n[nH]1
CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1nc(C)n[nH]1 c1ccc(cc1)SC[*:1] CC[C@@H](NC(=O)c1ccc(cc1)[*:1])c1nc(C)n[nH]1
CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1nc(C)n[nH]1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ccc(cc1)CS[*:1])c1nc(C)n[nH]1
C[C@@H]1CN(CC(=O)N(C)Cc2cnn(C)c2)c2ccccc2NC1=O Cn1cc(cn1)C[*:1] C[C@@H]1CN(CC(=O)N(C)[*:1])c2ccccc2NC1=O
C[C@@H]1CN(CC(=O)N(C)Cc2cnn(C)c2)c2ccccc2NC1=O Cn1cc(cn1)[*:1] C[C@@H]1CN(CC(=O)N(C)C[*:1])c2ccccc2NC1=O
C[C@H](NC(=O)[C@H](C)Sc1nncn1C)C(N)=O C[C@H](C(N)=O)[*:1] C[C@H](Sc1nncn1C)C(=O)N[*:1]
C[C@H](NC(=O)[C@H](C)Sc1nncn1C)C(N)=O NC(=O)[*:1] C[C@H](Sc1nncn1C)C(=O)N[C@@H](C)[*:1]
O=C(CSc1ccc(Cl)nn1)N1CCc2cc([N+](=O)[O-])ccc21 Clc1ccc(nn1)[*:1] O=C(CS[*:1])N1CCc2cc(ccc21)[N+](=O)[O-]
O=C(CSc1ccc(Cl)nn1)N1CCc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] O=C(CSc1ccc(Cl)nn1)N1CCc2cc(ccc21)[*:1]
CC(=O)Nc1ccc(C2=N/C(=C\C3=Cc4cc(Cl)ccc4OC3)C(=O)O2)cc1 CC(=O)N[*:1] O=C1OC(=N/C1=C\C1=Cc2cc(Cl)ccc2OC1)c1ccc(cc1)[*:1]
CN(Cc1ccncc1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 c1cc(ccn1)[*:1] CN(C[*:1])C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
O=C(Nc1ccc(/N=C/c2ccccc2)cc1)c1ccc(F)cc1 C(=N[*:1])c1ccccc1 O=C(Nc1ccc(cc1)[*:1])c1ccc(F)cc1
O=C(Nc1ccc(/N=C/c2ccccc2)cc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)N=C[*:1])c1ccc(F)cc1
O=C(Nc1ccc(/N=C/c2ccccc2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)/N=C/c1ccccc1)[*:1]
O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H]1CCCc2ccc(F)cc21 FC(F)(F)[*:1] O=C(Cn1ccc(n1)[*:1])N[C@@H]1CCCc2ccc(F)cc21
CC(=O)c1cccc(OC(=O)C2C[C@H](C)O[C@@H](C)C2)c1 CC(=O)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Oc1cccc(c1)[*:1]
CC(C)N(C)[C@H](C[NH3+])CC(=O)NC1CC1 CC(C)N(C)[*:1] [NH3+]C[C@H](CC(=O)NC1CC1)[*:1]
CC(C)N(C)[C@H](C[NH3+])CC(=O)NC1CC1 CC(C)[*:1] CN([C@H](C[NH3+])CC(=O)NC1CC1)[*:1]
CC(C)N(C)[C@H](C[NH3+])CC(=O)NC1CC1 C1CC1[*:1] CC(C)N(C)[C@H](C[NH3+])CC(=O)N[*:1]
CCOc1cc2c(cc1/C=C/C(=O)Nc1nnc(CC)s1)O[C@H](C)C2 CCc1nnc(s1)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1/C=C/C(=O)N[*:1]
CCOc1cc2c(cc1/C=C/C(=O)Nc1nnc(CC)s1)O[C@H](C)C2 CCO[*:1] CCc1nnc(NC(=O)/C=C/c2cc3O[C@H](C)Cc3cc2[*:1])s1
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)C1 Clc1ccc(cc1Cl)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCCNC(=O)[*:1]
CC1=C(CC(=O)Nc2ccc(NC(=O)c3ccc(C)o3)cc2)C(=O)N=N1 Cc1ccc(o1)[*:1] CC1N=NC(=O)C=1CC(=O)Nc1ccc(cc1)NC(=O)[*:1]
O=C1c2ccccc2N[C@H](c2cc(Br)ccc2F)N1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C1c2ccccc2N[C@H](c2cc(Br)ccc2F)N1[*:1]
O=C1c2ccccc2N[C@H](c2cc(Br)ccc2F)N1C[C@H]1CCCO1 Fc1ccc(Br)cc1[*:1] O=C1c2ccccc2N[C@H](N1C[C@H]1CCCO1)[*:1]
O=C1c2ccccc2N[C@H](c2cc(Br)ccc2F)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C1c2ccccc2N[C@H](c2cc(Br)ccc2F)N1C[*:1]
Cc1ccc(OCC(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)cc1 Cc1ccc(cc1)O[*:1] Cc1nn(C(=O)C[*:1])c(C)c1Sc1ccccc1[N+](=O)[O-]
Cc1ccc(OCC(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)cc1 Cc1ccc(cc1)OC[*:1] Cc1nn(C(=O)[*:1])c(C)c1Sc1ccccc1[N+](=O)[O-]
Cc1ccc(OCC(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C(=O)CO[*:1])c(C)c1Sc1ccccc1[N+](=O)[O-]
Cc1ccc(OCC(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)cc1 O=[N+]([O-])c1ccccc1[*:1] Cc1ccc(cc1)OCC(=O)n1nc(C)c(S[*:1])c1C
Cc1ccc(OCC(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)OCC(=O)n1nc(C)c(Sc2ccccc2[*:1])c1C
Nc1c(Nc2cccc3ncccc23)ncnc1N1CC[NH+](Cc2ccccc2)CC1 c1cc(c2cccnc2c1)[*:1] Nc1c(ncnc1N1CC[NH+](CC1)Cc1ccccc1)N[*:1]
Nc1c(Nc2cccc3ncccc23)ncnc1N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Nc1c(ncnc1N1CC[NH+](CC1)[*:1])Nc1cccc2ncccc12
Nc1c(Nc2cccc3ncccc23)ncnc1N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Nc1c(ncnc1N1CC[NH+](CC1)C[*:1])Nc1cccc2ncccc12
Nc1c(Nc2ccc(F)cc2F)ncnc1Sc1ccccc1 c1ccc(cc1)[*:1] Nc1c(ncnc1S[*:1])Nc1ccc(F)cc1F
Nc1c(Nc2ccc(F)cc2F)ncnc1Sc1ccccc1 c1ccc(cc1)S[*:1] Nc1c(ncnc1[*:1])Nc1ccc(F)cc1F
CSc1ncccc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 CSc1ncccc1[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCCC1)[*:1]
CSc1ncccc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 C1CCCN(CC1)[*:1] CSc1ncccc1C(=O)NCc1ccc([nH+]c1)[*:1]
CCCn1cc(N)c(=O)n(C[C@@H]2CN(C)CCO2)c1=O CCC[*:1] CN1CCO[C@@H](C1)Cn1c(=O)c(N)cn(c1=O)[*:1]
O=C(COc1ccccc1F)N1CC(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 Fc1ccccc1O[*:1] O=C(C[*:1])N1CC(C1)C(=O)N1CCN(CC1)c1cccc[nH+]1
O=C(COc1ccccc1F)N1CC(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 Fc1ccccc1[*:1] O=C(CO[*:1])N1CC(C1)C(=O)N1CCN(CC1)c1cccc[nH+]1
O=C(COc1ccccc1F)N1CC(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 Fc1ccccc1OC[*:1] O=C(C1CN(C1)C(=O)[*:1])N1CCN(CC1)c1cccc[nH+]1
CCC(C)(C)NC(=O)[C@H](C)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 CC(C)(C)[*:1] CCC(C)(C)NC(=O)[C@H](C)N1CCN(CC1)Cc1csc(n1)[*:1]
CCC(C)(C)NC(=O)[C@H](C)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 CCC(C)(C)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)Cc1csc(n1)C(C)(C)C
CCC(C)(C)NC(=O)[C@H](C)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 CCC(C)(C)NC(=O)[*:1] C[C@H](N1CCN(CC1)Cc1csc(n1)C(C)(C)C)[*:1]
COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(NC(=O)c2ccc(cc2)[*:1])c(cc1OC)C(=O)[O-]
COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])cc1OC O=C([O-])[*:1] COc1cc(NC(=O)c2ccc(cc2)[N+](=O)[O-])c(cc1OC)[*:1]
O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N(Cc1ccccn1)C1CC1 c1ccc(nc1)[*:1] O=C(Nc1ccc2oc(nc2c1)C(F)(F)F)N(C[*:1])C1CC1
O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N(Cc1ccccn1)C1CC1 C1CC1[*:1] O=C(Nc1ccc2oc(nc2c1)C(F)(F)F)N(Cc1ccccn1)[*:1]
O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N(Cc1ccccn1)C1CC1 FC(F)(F)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])N(Cc1ccccn1)C1CC1
O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N(Cc1ccccn1)C1CC1 c1ccc(C[*:1])nc1 O=C(Nc1ccc2oc(nc2c1)C(F)(F)F)N(C1CC1)[*:1]
O=C(Cc1ccc(F)cc1)Nc1cccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)c1 O=C(Cc1ccc(F)cc1)N[*:1] O=C(c1csc2nc(cn12)-c1cccc(c1)[*:1])N1CCOCC1
O=C(Cc1ccc(F)cc1)Nc1cccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)c1 O=C(N1CCOCC1)[*:1] O=C(Cc1ccc(F)cc1)Nc1cccc(c1)-c1cn2c(csc2n1)[*:1]
O=C(Cc1ccc(F)cc1)Nc1cccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)c1 Fc1ccc(cc1)C[*:1] O=C(c1csc2nc(cn12)-c1cccc(c1)NC(=O)[*:1])N1CCOCC1
O=C(Cc1ccc(F)cc1)Nc1cccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)c1 Fc1ccc(cc1)[*:1] O=C(C[*:1])Nc1cccc(c1)-c1cn2c(csc2n1)C(=O)N1CCOCC1
CC(C)(C)CC(C)(C)[NH2+]Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)(C)CC(C)(C)[NH2+]Cc1ncn(n1)[*:1]
CC(C)(C)CC(C)(C)[NH2+]Cc1ncn(-c2ccccc2)n1 CC(C)(C)[*:1] CC(C)(C[*:1])[NH2+]Cc1ncn(n1)-c1ccccc1
CC(C)(C)CC(C)(C)[NH2+]Cc1ncn(-c2ccccc2)n1 CC(C)(C)C[*:1] CC(C)([NH2+]Cc1ncn(n1)-c1ccccc1)[*:1]
C=C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C=C[C@@H]1CCN(C1)C(=O)O[*:1]
O=C(CNc1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(CNc1cccc(c1)C(F)(F)F)N1CCC[C@@H]1[*:1]
O=C(CNc1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2s1 FC(F)(F)[*:1] O=C(CNc1cccc(c1)[*:1])N1CCC[C@H]1c1nc2ccccc2s1
CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(C(=O)CCc1cccc(c1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(C(=O)CCc1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
Cn1nc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccc1=O O=C1CCCN1[*:1] Cn1nc(ccc1=O)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](Cl)C(=O)Nc1nnc(C(F)(F)F)s1 C[C@@H](Cl)[*:1] O=C(Nc1nnc(s1)C(F)(F)F)[*:1]
C[C@@H](Cl)C(=O)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] C[C@@H](Cl)C(=O)Nc1nnc(s1)[*:1]
CSCC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 CSC[*:1] C[NH+]1CCC(CC1)N(Cc1ccco1)C(=O)[*:1]
CSCC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 c1coc(c1)C[*:1] CSCC(=O)N(C1CC[NH+](C)CC1)[*:1]
CSCC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 c1coc(c1)[*:1] CSCC(=O)N(C[*:1])C1CC[NH+](C)CC1
O=C(CC[NH+]1CCC(C(F)(F)F)CC1)Nc1ccc(F)cc1 FC(F)(F)[*:1] O=C(CC[NH+]1CCC(CC1)[*:1])Nc1ccc(F)cc1
O=C(CC[NH+]1CCC(C(F)(F)F)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CC[NH+]1CCC(CC1)C(F)(F)F)N[*:1]
CC[C@@]1(C)CCCN(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@@]1(C)CCCN(C1)C(=O)N[C@H](CS(C)(=O)=O)[*:1]
CC[C@@]1(C)CCCN(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)C1 CS(=O)(=O)[*:1] CC[C@@]1(C)CCCN(C1)C(=O)N[C@H](C[*:1])c1ccccc1
CC[C@@]1(C)CCCN(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)C1 CS(=O)(=O)C[*:1] CC[C@@]1(C)CCCN(C1)C(=O)N[C@H](c1ccccc1)[*:1]
COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@H](C)C3)c(OC)c1 Cc1ccc(nc1)[*:1] COc1ccc(c(c1)OC)[C@H]1C(C(=O)N[*:1])=C(C)NC2C[C@@H](C)CC(=O)C=21
COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@H](C)C3)c(OC)c1 COc1ccc(c(c1)OC)[*:1] CC1NC2C[C@@H](C)CC(=O)C=2[C@H](C=1C(=O)Nc1ccc(C)cn1)[*:1]
COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@H](C)C3)c(OC)c1 Cc1ccc(nc1)NC(=O)[*:1] COc1ccc(c(c1)OC)[C@@H]1C2C(=O)C[C@H](C)CC=2NC(C)=C1[*:1]
CCSCC[C@@H](C)N(C)C(=O)Cn1nc2ccccn2c1=O CCSC[*:1] C[C@H](C[*:1])N(C)C(=O)Cn1nc2ccccn2c1=O
CCSCC[C@@H](C)N(C)C(=O)Cn1nc2ccccn2c1=O CCSCC[*:1] C[C@@H](N(C)C(=O)Cn1nc2ccccn2c1=O)[*:1]
CCSCC[C@@H](C)N(C)C(=O)Cn1nc2ccccn2c1=O CCS[*:1] C[C@H](CC[*:1])N(C)C(=O)Cn1nc2ccccn2c1=O
COc1ccc(NC(=O)[C@@H](Sc2ncn[nH]2)c2ccccc2)cc1 c1n[nH]c(n1)[*:1] COc1ccc(cc1)NC(=O)[C@@H](S[*:1])c1ccccc1
COc1ccc(NC(=O)[C@@H](Sc2ncn[nH]2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H](Sc1ncn[nH]1)[*:1]
COc1ccc(NC(=O)[C@@H](Sc2ncn[nH]2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H](Sc1ncn[nH]1)c1ccccc1
COc1ccc(NC(=O)[C@@H](Sc2ncn[nH]2)c2ccccc2)cc1 c1n[nH]c(n1)S[*:1] COc1ccc(cc1)NC(=O)[C@@H](c1ccccc1)[*:1]
O=C(NCC[C@@H](O)c1ccccc1)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(NCC[C@@H](O)c1ccccc1)C(=O)N[*:1]
O=C(NCC[C@@H](O)c1ccccc1)C(=O)NC1CCCCCC1 c1ccc(cc1)[*:1] O=C(NCC[C@@H](O)[*:1])C(=O)NC1CCCCCC1
Cc1n[nH]c(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)n1 O=C([O-])[*:1] Cc1n[nH]c(n1)C(=O)N[C@H]1CC[C@@H](C1)[*:1]
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnnn2C)c(C)c1 Cn1nnnc1S[*:1] Cc1cc(C)c(NC(=O)[C@H](C)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnnn2C)c(C)c1 Cn1nnnc1[*:1] Cc1cc(C)c(NC(=O)[C@H](C)S[*:1])c(C)c1
C[C@@H](C(=O)NC[C@H](C)c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC[C@H](C)[*:1])[NH+]1CCCC1
Cc1cccc(OC(=O)c2cc3c([nH]c2=O)CCCC3=O)c1 Cc1cccc(c1)[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)O[*:1]
Cc1ccccc1C(=O)Nc1ccc2nc(C3CC3)oc2c1 Cc1ccccc1[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)[*:1]
Cc1ccccc1C(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] Cc1ccccc1C(=O)Nc1ccc2nc(oc2c1)[*:1]
N#Cc1cccc(-n2[nH]c(C3CC3)c(Br)c2=O)c1 C1CC1[*:1] N#Cc1cccc(c1)-n1[nH]c(c(Br)c1=O)[*:1]
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccn(C)n1 Cn1ccc(n1)[*:1] CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[*:1]
CCCc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C(C)C)n(C)n1 CC(C)[*:1] CCCc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C(C)C)n(C)n1 CCC[*:1] CC(C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(nn1C)[*:1]
COCCN1C(N)=[NH+]C[C@@]1(C)c1cccc(C(F)(F)F)c1 COCC[*:1] C[C@]1(C[NH+]=C(N)N1[*:1])c1cccc(c1)C(F)(F)F
COCCN1C(N)=[NH+]C[C@@]1(C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COCCN1C(N)=[NH+]C[C@@]1(C)c1cccc(c1)[*:1]
COCCN1C(N)=[NH+]C[C@@]1(C)c1cccc(C(F)(F)F)c1 COC[*:1] C[C@]1(C[NH+]=C(N)N1C[*:1])c1cccc(c1)C(F)(F)F
N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1 Fc1ccccc1C[*:1] N#Cc1ccc(cc1)NC(=O)CC[NH+]1CCN(CC1)C(=O)[*:1]
N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CC[NH+]1CCN(CC1)C(=O)Cc1ccccc1F)N[*:1]
N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] N#Cc1ccc(cc1)NC(=O)CC[NH+]1CCN(CC1)C(=O)C[*:1]
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COCc1nc2ccccc2s1 NC(=O)[*:1] C[C@@H]1CC[C@H](CN1C(=O)COCc1nc2ccccc2s1)[*:1]
CCCN/C([O-])=C(\C#N)C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1 c1ccc(cc1)[*:1] CCCN/C([O-])=C(\C#N)C(=O)C1C[C@H](C(C)=O)N(N=1)[*:1]
CCCN/C([O-])=C(\C#N)C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1 CCCN[*:1] CC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)/C(C#N)=C(\[O-])[*:1]
CCCN/C([O-])=C(\C#N)C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1 CCC[*:1] CC(=O)[C@H]1CC(=NN1c1ccccc1)C(=O)/C(C#N)=C(\[O-])N[*:1]
CCCN/C([O-])=C(\C#N)C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1 CC(=O)[*:1] CCCN/C([O-])=C(\C#N)C(=O)C1C[C@H](N(N=1)c1ccccc1)[*:1]
C[C@H](c1cc2ccccc2o1)N(C)Cc1nnsc1Cl Clc1snnc1[*:1] C[C@H](c1cc2ccccc2o1)N(C)C[*:1]
CNC(=O)c1ccc(OCC(=O)NOCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CNC(=O)c1ccc(cc1)OCC(=O)NO[*:1]
CNC(=O)c1ccc(OCC(=O)NOCc2ccccc2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)OCC(=O)NOC[*:1]
CNC(=O)c1ccc(OCC(=O)NOCc2ccccc2)cc1 CNC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])NOCc1ccccc1
Cc1ncsc1CNC(=O)[C@@H]1SCCc2sccc21 Cc1ncsc1[*:1] O=C(NC[*:1])[C@@H]1SCCc2sccc21
C[C@H](CCc1ccccc1)NC(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)C1CN(C1)C(=O)c1ccc(o1)[N+](=O)[O-]
C[C@H](CCc1ccccc1)NC(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 O=[N+]([O-])[*:1] C[C@H](CCc1ccccc1)NC(=O)C1CN(C1)C(=O)c1ccc(o1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)C1CN(C1)C(=O)c1ccc(o1)[N+](=O)[O-])[*:1]
C[C@H](CCc1ccccc1)NC(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)C1CN(C1)C(=O)c1ccc(o1)[N+](=O)[O-]
C[C@H](CCc1ccccc1)NC(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 O=[N+]([O-])c1ccc(o1)[*:1] C[C@H](CCc1ccccc1)NC(=O)C1CN(C1)C(=O)[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 O=c1ccccn1C[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc(cc1)[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 O=c1ccccn1[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc(cc1)C[*:1]
O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCC1([NH+]2CCCCC2)CCCCC1 Clc1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])NCC1(CCCCC1)[NH+]1CCCCC1
CCC[C@@H](NC(=O)c1cnn(C(C)C)c1C)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)c1cnn(c1C)C(C)C)[*:1]
CCC[C@@H](NC(=O)c1cnn(C(C)C)c1C)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)c1cnn(c1C)C(C)C)[*:1]
CCC[C@@H](NC(=O)c1cnn(C(C)C)c1C)C(=O)OC CC(C)[*:1] CCC[C@@H](NC(=O)c1cnn(c1C)[*:1])C(=O)OC
O=C(NC1CCCCC1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@H]1C[C@H](O)CN1C(=O)N[*:1]
O=C(NC1CCCCC1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1
Cc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC2CCCC2)C1=O C1CCC(C1)[*:1] Cc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
Cc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC2CCCC2)C1=O Cc1ccccc1[*:1] C[C@]1(NC(=O)N(CC(=O)NC2CCCC2)C1=O)[*:1]
Cc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC2CCCC2)C1=O O=C(NC1CCCC1)[*:1] Cc1ccccc1[C@@]1(C)NC(=O)N(C[*:1])C1=O
CCCNC(=O)NNC(=O)COc1cccc(C)c1 CCC[*:1] Cc1cccc(c1)OCC(=O)NNC(=O)N[*:1]
O=C(Oc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Oc1ccccc1)c1ccc(c(c1)[*:1])N1CCCC1
O=C(Oc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] O=C(Oc1ccccc1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(Oc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(O[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
CCc1cc2c(Nc3ccncc3)ncnc2s1 c1cc(ccn1)[*:1] CCc1cc2c(ncnc2s1)N[*:1]
O=[N+]([O-])c1ccc(-c2cc3n(n2)CCc2nc4ccccc4n2-3)cc1 O=[N+]([O-])[*:1] c1ccc2c(c1)nc1CCn3nc(cc3-n12)-c1ccc(cc1)[*:1]
COC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CC[C@@H](C)C2 COC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)c1ccc3OCOc3c1)c2[*:1]
CC1=C[C@@H]([C@@H]2NN[C@H](S)N2/N=C/c2cccc([N+](=O)[O-])c2)N=N1 O=[N+]([O-])[*:1] CC1=C[C@H](N=N1)[C@@H]1NN[C@H](S)N1/N=C/c1cccc(c1)[*:1]
N#C/C(=C\Nc1ccc2oc(=O)ccc2c1)c1nc(-c2ccc(Br)cc2)cs1 Brc1ccc(cc1)[*:1] N#C/C(=C\Nc1ccc2oc(=O)ccc2c1)c1nc(cs1)[*:1]
CC(=O)N1CCc2cc(C(=O)N(Cc3cccc(Cl)c3)C(C)C)ccc21 Clc1cccc(c1)C[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N(C(C)C)[*:1]
CC(=O)N1CCc2cc(C(=O)N(Cc3cccc(Cl)c3)C(C)C)ccc21 CC(C)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N(Cc1cccc(Cl)c1)[*:1]
CC(=O)N1CCc2cc(C(=O)N(Cc3cccc(Cl)c3)C(C)C)ccc21 Clc1cccc(c1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)N(C[*:1])C(C)C
O=C([O-])CCOc1cc(-c2ccncc2)nc(-c2ccc(C(F)(F)F)cc2)n1 O=C([O-])CCO[*:1] FC(F)(F)c1ccc(cc1)-c1nc(cc(n1)[*:1])-c1ccncc1
O=C([O-])CCOc1cc(-c2ccncc2)nc(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] O=C([O-])CCOc1cc(nc(n1)-c1ccc(cc1)[*:1])-c1ccncc1
O=C([O-])CCOc1cc(-c2ccncc2)nc(-c2ccc(C(F)(F)F)cc2)n1 O=C([O-])[*:1] FC(F)(F)c1ccc(cc1)-c1nc(cc(n1)-c1ccncc1)OCC[*:1]
O=C([O-])CCOc1cc(-c2ccncc2)nc(-c2ccc(C(F)(F)F)cc2)n1 O=C([O-])C[*:1] FC(F)(F)c1ccc(cc1)-c1nc(cc(n1)-c1ccncc1)OC[*:1]
O=C([O-])CCOc1cc(-c2ccncc2)nc(-c2ccc(C(F)(F)F)cc2)n1 O=C([O-])CC[*:1] FC(F)(F)c1ccc(cc1)-c1nc(cc(n1)-c1ccncc1)O[*:1]
O=C([O-])CCOc1cc(-c2ccncc2)nc(-c2ccc(C(F)(F)F)cc2)n1 c1cc(ccn1)[*:1] O=C([O-])CCOc1cc(nc(n1)-c1ccc(cc1)C(F)(F)F)[*:1]
CS[C@H](C)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 CS[C@H](C)[*:1] Cc1cc2c(CC(C)(C)C[C@@H]2NC(=O)[*:1])o1
CC(C)Oc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)O[*:1])[C@H]1CN(c2ccccc2O1)S(=O)(=O)c1ccccc1
CC(C)Oc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 c1ccc(cc1)[*:1] CC(C)Oc1cccc(c1)NC(=O)[C@H]1CN(c2ccccc2O1)S(=O)(=O)[*:1]
CC(C)Oc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 CC(C)Oc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CN(c2ccccc2O1)S(=O)(=O)c1ccccc1
CC(C)Oc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 CC(C)O[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CN(c2ccccc2O1)S(=O)(=O)c1ccccc1
CC[C@@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(C)cc(C)n1 Cc1cc(C)nc(n1)[*:1] CC[C@@H](C)c1ccccc1OCC(=O)[C@H](C#N)[*:1]
CC[C@@H](C)c1ccccc1OCC(=O)[C@H](C#N)c1nc(C)cc(C)n1 CC[C@@H](C)[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)COc1ccccc1[*:1]
O=C1CCC[C@H]1CCn1c(=O)oc2cccnc21 O=C1CCC[C@@H]1[*:1] O=c1oc2cccnc2n1CC[*:1]
CC[C@@H](C)c1ccc(NC(=O)c2ccc(Br)cc2N)cc1 CC[C@@H](C)[*:1] Nc1cc(Br)ccc1C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CCCC1 CC(C)[*:1] O=C([C@H](Sc1nc(n[nH]1)-c1cccs1)[*:1])N1CCCC1
CC(C)[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CCCC1 c1csc(c1)[*:1] CC(C)[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)N1CCCC1
CC(C)[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@@H](Sc1nc(n[nH]1)-c1cccs1)[*:1]
CC[C@H]1CCc2sc(C(=O)N3CC[C@H](C(N)=O)C3)cc2C1 NC(=O)[*:1] CC[C@H]1CCc2sc(cc2C1)C(=O)N1CC[C@H](C1)[*:1]
COC[C@H](O)CNC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 COC[*:1] CC1(C)CC[C@@H](CNC(=O)NC[C@@H](O)[*:1])c2ccccc21
COC[C@H](O)CNC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 COC[C@H](O)C[*:1] CC1(C)CC[C@@H](CNC(=O)N[*:1])c2ccccc21
COC[C@H](O)CNC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 COC[C@H](O)[*:1] CC1(C)CC[C@@H](CNC(=O)NC[*:1])c2ccccc21
Cc1cccc(CCNC(=O)C(=O)Nc2cncc(C)c2)c1 Cc1cccc(c1)[*:1] Cc1cncc(c1)NC(=O)C(=O)NCC[*:1]
Cc1cccc(CCNC(=O)C(=O)Nc2cncc(C)c2)c1 Cc1cncc(c1)[*:1] Cc1cccc(c1)CCNC(=O)C(=O)N[*:1]
COc1ccccc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 O=[N+]([O-])[*:1] COc1ccccc1C(=O)Nc1nc2ccc(cc2s1)[*:1]
CSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C([O-])CCCC2=N1 Cc1ccc(cc1)[*:1] CSC1N=C2CCCC([O-])=C2[C@@H](C=1C#N)[*:1]
COc1ccc([C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1cnc2c(c1)c(C)nn2C)[*:1]
COc1ccc([C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1nn(C)c2ncc(cc12)C(=O)N[C@H](C1CCOCC1)[*:1]
Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)[*:1]
Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)Cc1cccs1 c1csc(c1)[*:1] Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)C[*:1]
O=C(/C=C/C1CC1)NCCOc1cccc2ccccc12 C(=C[*:1])C1CC1 O=C(NCCOc1cccc2ccccc12)[*:1]
O=C(/C=C/C1CC1)NCCOc1cccc2ccccc12 C1CC1[*:1] O=C(C=C[*:1])NCCOc1cccc2ccccc12
CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1 c1cncc(c1)[*:1] CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)[*:1]
Cc1cc(C[NH+]2CCN(CC(=O)N[C@@H](C)c3cccc4ccccc34)CC2)no1 Cc1cc(no1)[*:1] C[C@H](NC(=O)CN1CC[NH+](CC1)C[*:1])c1cccc2ccccc12
C[C@]1(CN[C@@H](C[NH3+])c2ccc(F)c(F)c2)CCCO1 C[C@@]1(CCCO1)[*:1] [NH3+]C[C@H](NC[*:1])c1ccc(F)c(F)c1
C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 O=[N+]([O-])c1ccc(Cl)c(c1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccccc1[N-]S(=O)(=O)[*:1]
C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(ccc1Cl)[*:1]
O[C@@H](CC(F)(F)F)c1ccc(Br)c2ccccc12 FC(F)(F)C[*:1] O[C@@H](c1ccc(Br)c2ccccc12)[*:1]
O[C@@H](CC(F)(F)F)c1ccc(Br)c2ccccc12 FC(F)(F)[*:1] O[C@@H](C[*:1])c1ccc(Br)c2ccccc12
COc1c(C)cnc(CNC(=O)c2cc(C#N)cs2)c1C N#Cc1csc(c1)[*:1] COc1c(C)cnc(CNC(=O)[*:1])c1C
Cc1cc(C(=O)OCCNc2cccnn2)nn1C c1cnnc(c1)[*:1] Cc1cc(nn1C)C(=O)OCCN[*:1]
CC(C)OCC[NH+]1CCC(NC(=O)c2cc(C#N)cs2)CC1 CC(C)[*:1] N#Cc1csc(c1)C(=O)NC1CC[NH+](CCO[*:1])CC1
CC(C)OCC[NH+]1CCC(NC(=O)c2cc(C#N)cs2)CC1 N#Cc1csc(c1)[*:1] CC(C)OCC[NH+]1CCC(CC1)NC(=O)[*:1]
CC(C)OCC[NH+]1CCC(NC(=O)c2cc(C#N)cs2)CC1 CC(C)OC[*:1] N#Cc1csc(c1)C(=O)NC1CC[NH+](CC1)C[*:1]
CC(C)OCC[NH+]1CCC(NC(=O)c2cc(C#N)cs2)CC1 CC(C)O[*:1] N#Cc1csc(c1)C(=O)NC1CC[NH+](CC1)CC[*:1]
CC(C)OCC[NH+]1CCC(NC(=O)c2cc(C#N)cs2)CC1 CC(C)OCC[*:1] N#Cc1csc(c1)C(=O)NC1CC[NH+](CC1)[*:1]
Cc1nc2sc3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)cnc3c2c2c1COC(C)(C)C2 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1nc2sc3c(=O)n(cnc3c2c2CC(C)(C)OCc12)C[*:1]
Cc1nc2sc3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)cnc3c2c2c1COC(C)(C)C2 O=[N+]([O-])c1ccc(cc1)C[*:1] Cc1nc2sc3c(=O)n(cnc3c2c2CC(C)(C)OCc12)[*:1]
Cc1nc2sc3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)cnc3c2c2c1COC(C)(C)C2 O=[N+]([O-])[*:1] Cc1nc2sc3c(=O)n(cnc3c2c2CC(C)(C)OCc12)Cc1ccc(cc1)[*:1]
Cc1ccnc(NC(=O)Cc2cc(-c3cc4ccccc4o3)on2)c1 Cc1ccnc(c1)[*:1] O=C(Cc1cc(on1)-c1cc2ccccc2o1)N[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccncc1F)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@H](NC(=O)c1ccncc1F)[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccncc1F)C(N)=O CC[C@@H](C)[*:1] NC(=O)[C@@H](NC(=O)c1ccncc1F)[*:1]
COc1cccc(N(C)S(=O)(=O)c2cccc(-n3cnnn3)c2)n1 COc1cccc(n1)[*:1] CN(S(=O)(=O)c1cccc(c1)-n1cnnn1)[*:1]
COc1cccc(N(C)S(=O)(=O)c2cccc(-n3cnnn3)c2)n1 c1nnnn1[*:1] COc1cccc(n1)N(C)S(=O)(=O)c1cccc(c1)[*:1]
OCCN1CC[NH+](Cc2ccccc2Cl)CC1 OCC[*:1] Clc1ccccc1C[NH+]1CCN(CC1)[*:1]
COC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(OC)cc1 c1ccc(cc1)[*:1] COC(=O)C1=C(Nc2ncnn2[C@@H]1c1ccc(cc1)OC)[*:1]
COC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)C1=C(Nc2ncnn2[C@H]1[*:1])c1ccccc1
COC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@@H]1C(=C(Nc2ncnn21)c1ccccc1)[*:1]
COC(=O)C(C)(C)CSc1ccc([N+](=O)[O-])cc1 COC(=O)[*:1] CC(C)(CSc1ccc(cc1)[N+](=O)[O-])[*:1]
COC(=O)C(C)(C)CSc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC(=O)C(C)(C)CSc1ccc(cc1)[*:1]
C=CCn1c(=O)/c(=C\c2c(C)cc(C)cc2C)s/c1=C(\C#N)C(=O)C(C)C CC(C)C(=O)[*:1] C=CCn1c(=O)/c(=C\c2c(C)cc(C)cc2C)sc1=C(C#N)[*:1]
C=CCn1c(=O)/c(=C\c2c(C)cc(C)cc2C)s/c1=C(\C#N)C(=O)C(C)C CC(C)[*:1] C=CCn1c(=O)/c(=C\c2c(C)cc(C)cc2C)s/c1=C(\C#N)C(=O)[*:1]
C=CCn1c(=O)/c(=C\c2c(C)cc(C)cc2C)s/c1=C(\C#N)C(=O)C(C)C Cc1cc(C)c(c(C)c1)[*:1] C=CCn1c(=O)c(=C[*:1])s/c1=C(\C#N)C(=O)C(C)C
C=CCn1c(=O)/c(=C\c2c(C)cc(C)cc2C)s/c1=C(\C#N)C(=O)C(C)C C=CC[*:1] Cc1cc(C)c(/C=c2/s/c(=C(\C#N)C(=O)C(C)C)n(c2=O)[*:1])c(C)c1
CCc1nn(C)cc1C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] CCc1nn(C)cc1C[NH2+][C@H](C)c1cccc(c1)[*:1]
CCc1nn(C)cc1C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 CCc1nn(C)cc1[*:1] C[C@@H]([NH2+]C[*:1])c1cccc(c1)S(=O)(=O)N(C)C
NS(=O)(=O)c1ccc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] NS(=O)(=O)c1ccc(cc1)CCNc1ccc(cc1[*:1])C(F)(F)F
NS(=O)(=O)c1ccc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 FC(F)(F)[*:1] NS(=O)(=O)c1ccc(cc1)CCNc1ccc(cc1[N+](=O)[O-])[*:1]
NS(=O)(=O)c1ccc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 NS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1NCCc1ccc(cc1)[*:1])C(F)(F)F
Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 O=[N+]([O-])[*:1] Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)c(c(=O)[nH]1)[*:1]
Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1cc(OC(=O)C(c2ccccc2)[*:1])c(c(=O)[nH]1)[N+](=O)[O-]
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(F)ccc2OC)C1=O COc1ccc(F)cc1[*:1] CC[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(F)ccc2OC)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)c2cc(F)ccc2OC)C1=O)[*:1]
CC(C)C[C@@H](C[NH+](C)C)Nc1nc2ccc(F)cn2n1 CC(C)C[*:1] C[NH+](C)C[C@@H](Nc1nc2ccc(F)cn2n1)[*:1]
CC(C)C[C@@H](C[NH+](C)C)Nc1nc2ccc(F)cn2n1 CC(C)[*:1] C[NH+](C)C[C@H](C[*:1])Nc1nc2ccc(F)cn2n1
CCCCc1noc([C@H]2CCCCC2=O)n1 CCC[*:1] O=C1CCCC[C@@H]1c1nc(C[*:1])no1
CCCCc1noc([C@H]2CCCCC2=O)n1 CCCC[*:1] O=C1CCCC[C@@H]1c1nc(no1)[*:1]
CC1(C)OC(=O)C(/C=N/[C@@H](CCC(N)=O)C(=O)[O-])C(=O)O1 NC(=O)CC[*:1] CC1(C)OC(=O)C(/C=N/[C@@H](C(=O)[O-])[*:1])C(=O)O1
CC1(C)OC(=O)C(/C=N/[C@@H](CCC(N)=O)C(=O)[O-])C(=O)O1 O=C([O-])[*:1] CC1(C)OC(=O)C(/C=N/[C@@H](CCC(N)=O)[*:1])C(=O)O1
CC1(C)OC(=O)C(/C=N/[C@@H](CCC(N)=O)C(=O)[O-])C(=O)O1 NC(=O)C[*:1] CC1(C)OC(=O)C(/C=N/[C@@H](C[*:1])C(=O)[O-])C(=O)O1
CC1(C)OC(=O)C(/C=N/[C@@H](CCC(N)=O)C(=O)[O-])C(=O)O1 NC(=O)[*:1] CC1(C)OC(=O)C(/C=N/[C@@H](CC[*:1])C(=O)[O-])C(=O)O1
CCC(=O)NCCN1CCN(C(=O)c2cn(C)nc2OC)CC1 CCC(=O)NCC[*:1] COc1nn(C)cc1C(=O)N1CCN(CC1)[*:1]
CCC(=O)NCCN1CCN(C(=O)c2cn(C)nc2OC)CC1 CCC(=O)NC[*:1] COc1nn(C)cc1C(=O)N1CCN(CC1)C[*:1]
CCC(=O)NCCN1CCN(C(=O)c2cn(C)nc2OC)CC1 CCC(=O)N[*:1] COc1nn(C)cc1C(=O)N1CCN(CC1)CC[*:1]
Cc1ccnc([C@@H]2CCN(c3cnccn3)C2)n1 c1cnc(cn1)[*:1] Cc1ccnc(n1)[C@@H]1CCN(C1)[*:1]
Cc1cc(C(=O)NC2CCCC2)ccc1NCC(=O)NC(=O)Nc1ccccc1 O=C(NC1CCCC1)[*:1] Cc1cc(ccc1NCC(=O)NC(=O)Nc1ccccc1)[*:1]
Cc1cc(C(=O)NC2CCCC2)ccc1NCC(=O)NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1NCC(=O)NC(=O)N[*:1])C(=O)NC1CCCC1
Cc1cc(C(=O)NC2CCCC2)ccc1NCC(=O)NC(=O)Nc1ccccc1 C1CCC(C1)[*:1] Cc1cc(ccc1NCC(=O)NC(=O)Nc1ccccc1)C(=O)N[*:1]
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1cccc(c1)[N+](=O)[O-])N[C@@H](CN1CCCC1=O)[*:1]
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1=O)c1ccccc1 O=[N+]([O-])[*:1] O=C(NCc1cccc(c1)[*:1])N[C@@H](CN1CCCC1=O)c1ccccc1
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1[*:1] O=C(NCc1cccc(c1)[N+](=O)[O-])N[C@@H](C[*:1])c1ccccc1
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1C[*:1] O=C(NCc1cccc(c1)[N+](=O)[O-])N[C@@H](c1ccccc1)[*:1]
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1=O)c1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NC[*:1])N[C@@H](CN1CCCC1=O)c1ccccc1
Cc1cc([C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@]1(NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O)[*:1]
Cc1cc([C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(C)o1 Clc1cccc(Cl)c1[*:1] Cc1cc(c(C)o1)[C@@]1(C)NC(=O)N(C[*:1])C1=O
O=C1c2ccccc2N[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1C[C@H]1CCCO1 c1ccn2cc(CO[*:1])nc2c1 O=C1c2ccccc2N[C@@H](c2ccc(cc2)[*:1])N1C[C@H]1CCCO1
O=C1c2ccccc2N[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1C[C@H]1CCCO1 c1ccn2cc(nc2c1)[*:1] O=C1c2ccccc2N[C@@H](c2ccc(cc2)OC[*:1])N1C[C@H]1CCCO1
O=C1c2ccccc2N[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1C[C@H]1CCCO1 c1ccn2cc(C[*:1])nc2c1 O=C1c2ccccc2N[C@@H](c2ccc(cc2)O[*:1])N1C[C@H]1CCCO1
CCOC(=O)C1CCN(C(=O)Cn2cnc3nc(N4CC[NH+](CC)CC4)sc3c2=O)CC1 CCOC(=O)[*:1] CC[NH+]1CCN(CC1)c1nc2ncn(CC(=O)N3CCC(CC3)[*:1])c(=O)c2s1
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cn(Cc2ccccc2)nn1 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cn(C[*:1])nn1
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cn(Cc2ccccc2)nn1 c1ccc(cc1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cn(nn1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cn(Cc2ccccc2)nn1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)c1cn(Cc2ccccc2)nn1)[*:1]
O=C(NCC1CCCCC1)c1cccc(NC(=O)c2scc3c2OCO3)c1 C1CCC(CC1)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)c1scc2OCOc21
O=C(NCC1CCCCC1)c1cccc(NC(=O)c2scc3c2OCO3)c1 C1CCC(CC1)C[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1scc2OCOc21
CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(c1)[*:1]
O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1 Clc1ccc(o1)[*:1] O=[N+]([O-])c1ccc(cc1)C[NH2+]C[*:1]
O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1 O=[N+]([O-])[*:1] Clc1ccc(C[NH2+]Cc2ccc(cc2)[*:1])o1
O=C(CC(=O)c1ccccc1)Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] O=C(CC(=O)c1ccccc1)Nc1cccc(c1)[*:1]
O=C(CC(=O)c1ccccc1)Nc1cccc(C(=O)[O-])c1 c1ccc(cc1)[*:1] O=C(CC(=O)[*:1])Nc1cccc(c1)C(=O)[O-]
Fc1ccccc1[C@@H](NCc1ccc[nH+]c1N1CCOCC1)C1CCCC1 C1CN(CCO1)[*:1] Fc1ccccc1[C@@H](NCc1ccc[nH+]c1[*:1])C1CCCC1
Fc1ccccc1[C@@H](NCc1ccc[nH+]c1N1CCOCC1)C1CCCC1 C1CCC(C1)[*:1] Fc1ccccc1[C@@H](NCc1ccc[nH+]c1N1CCOCC1)[*:1]
Fc1ccccc1[C@@H](NCc1ccc[nH+]c1N1CCOCC1)C1CCCC1 Fc1ccccc1[*:1] c1c[nH+]c(c(c1)CN[C@@H](C1CCCC1)[*:1])N1CCOCC1
O=C(NCCSc1ccc(Cl)cc1)NCc1nc(-c2ccccc2)cs1 Clc1ccc(cc1)S[*:1] O=C(NCC[*:1])NCc1nc(cs1)-c1ccccc1
O=C(NCCSc1ccc(Cl)cc1)NCc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(NCCSc1ccc(Cl)cc1)NCc1nc(cs1)[*:1]
O=C(NCCSc1ccc(Cl)cc1)NCc1nc(-c2ccccc2)cs1 Clc1ccc(cc1)[*:1] O=C(NCCS[*:1])NCc1nc(cs1)-c1ccccc1
Cn1nnnc1SCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 c1ccc(cc1)[*:1] Cn1nnnc1SCC(=O)N1CCC[C@@](C)(C1)[*:1]
Cn1nnnc1SCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 Cn1nnnc1[*:1] C[C@]1(CCCN(C1)C(=O)CS[*:1])c1ccccc1
Cn1nnnc1SCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 Cn1nnnc1S[*:1] C[C@]1(CCCN(C1)C(=O)C[*:1])c1ccccc1
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1c(cccc1S(=O)(=O)NC[*:1])[N+](=O)[O-]
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1c(cccc1S(=O)(=O)NCC[*:1])[N+](=O)[O-]
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1CCOCC1 O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])S(=O)(=O)NCCN1CCOCC1
CC(C)n1cnnc1SCc1ccc(Br)s1 CC(C)[*:1] Brc1ccc(CSc2nncn2[*:1])s1
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 Clc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)[C@@H]1COc2ccccc2O1
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 Clc1ccc(cc1)O[*:1] C[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)[*:1]
O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)N1CCN(CC1)[*:1]
O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCN(c2ccc(Cl)cc2)CC1 C1CC1[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
Cc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(C2CCCCC2)CN3)cc1 Cc1ccc(cc1)[*:1] O=c1[nH]c(=O)n(c2NCN(Cc21)C1CCCCC1)[*:1]
Cc1ccc(-n2c3c(c(=O)[nH]c2=O)CN(C2CCCCC2)CN3)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)-n1c2NCN(Cc2c(=O)[nH]c1=O)[*:1]
CCOc1ccc(NC(=O)NCCOc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)[*:1] CCOc1ccc(cc1)NC(=O)NCCO[*:1]
CCOc1ccc(NC(=O)NCCOc2cc(C)cc(C)c2)cc1 CCO[*:1] Cc1cc(C)cc(c1)OCCNC(=O)Nc1ccc(cc1)[*:1]
CS(=O)(=O)N1CCN(C(=O)Nc2cnn(CC(N)=O)c2)CC1 NC(=O)C[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)Nc1cnn(c1)[*:1]
CS(=O)(=O)N1CCN(C(=O)Nc2cnn(CC(N)=O)c2)CC1 NC(=O)[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)Nc1cnn(c1)C[*:1]
COCCN(CCC#N)C(=O)Nc1ccc(C)c(Br)c1 COCC[*:1] Cc1ccc(cc1Br)NC(=O)N(CCC#N)[*:1]
COCCN(CCC#N)C(=O)Nc1ccc(C)c(Br)c1 COC[*:1] Cc1ccc(cc1Br)NC(=O)N(CCC#N)C[*:1]
COCCN(CCC#N)C(=O)Nc1ccc(C)c(Br)c1 N#CCC[*:1] COCCN(C(=O)Nc1ccc(C)c(Br)c1)[*:1]
COCCN(CCC#N)C(=O)Nc1ccc(C)c(Br)c1 N#CC[*:1] COCCN(C[*:1])C(=O)Nc1ccc(C)c(Br)c1
CC(C)N(CCO)C(=O)CN1CCN(c2ccc(Cl)cc2)C1=O CC(C)[*:1] O=C1N(CCN1c1ccc(Cl)cc1)CC(=O)N(CCO)[*:1]
CC(C)N(CCO)C(=O)CN1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CC(C)N(CCO)C(=O)CN1CCN(C1=O)[*:1]
CC(C)N(CCO)C(=O)CN1CCN(c2ccc(Cl)cc2)C1=O OCC[*:1] CC(C)N(C(=O)CN1CCN(C1=O)c1ccc(Cl)cc1)[*:1]
COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)n2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc(CN2C(=O)N[C@@](C)(C2=O)[*:1])n1
COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc(C)cc4)C3=O)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(Cc2nc(no2)[*:1])C1=O
CNc1nc(Nc2cccc([N+](=O)[O-])c2)[nH+]c2ccccc12 O=[N+]([O-])[*:1] CNc1nc(Nc2cccc(c2)[*:1])[nH+]c2ccccc12
CCOC(=O)c1nc(CC)oc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CCOC(=O)c1nc(CC)oc1NC(=O)[C@H]1C[C@H]1[*:1]
CCOC(=O)c1nc(CC)oc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F CCOC(=O)[*:1] CCc1nc(c(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)o1)[*:1]
Cn1nc(C2CC2)cc1C(=O)N1CCN(CCS(C)(=O)=O)CC1 C1CC1[*:1] Cn1nc(cc1C(=O)N1CCN(CC1)CCS(C)(=O)=O)[*:1]
Cn1nc(C2CC2)cc1C(=O)N1CCN(CCS(C)(=O)=O)CC1 CS(=O)(=O)CC[*:1] Cn1nc(cc1C(=O)N1CCN(CC1)[*:1])C1CC1
Cn1nc(C2CC2)cc1C(=O)N1CCN(CCS(C)(=O)=O)CC1 CS(=O)(=O)C[*:1] Cn1nc(cc1C(=O)N1CCN(CC1)C[*:1])C1CC1
Cn1nc(C2CC2)cc1C(=O)N1CCN(CCS(C)(=O)=O)CC1 CS(=O)(=O)[*:1] Cn1nc(cc1C(=O)N1CCN(CC1)CC[*:1])C1CC1
O=C(COc1ccccc1)N1CCN(C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(COc1ccccc1)N1CCN(CC1)[*:1]
O=C(COc1ccccc1)N1CCN(C2CCCCC2)CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)C1CCCCC1
O=C(COc1ccccc1)N1CCN(C2CCCCC2)CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)C1CCCCC1
O=C(NCc1ccccc1)c1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=S)NC(=O)c1ccccc1Cl
O=C(NCc1ccccc1)c1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1cccc(c1)NC(=S)NC(=O)c1ccccc1Cl
O=C(NCc1ccccc1)c1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1 Clc1ccccc1[*:1] O=C(NCc1ccccc1)c1cccc(c1)NC(=S)NC(=O)[*:1]
O=C(Nc1ccccc1)N(Cc1ccco1)Cc1c(Cl)cccc1Cl c1ccc(cc1)[*:1] O=C(N[*:1])N(Cc1ccco1)Cc1c(Cl)cccc1Cl
O=C(Nc1ccccc1)N(Cc1ccco1)Cc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] O=C(Nc1ccccc1)N(Cc1ccco1)C[*:1]
O=C(Nc1ccccc1)N(Cc1ccco1)Cc1c(Cl)cccc1Cl c1coc(c1)[*:1] O=C(Nc1ccccc1)N(Cc1c(Cl)cccc1Cl)C[*:1]
O=C(Nc1ccccc1)N(Cc1ccco1)Cc1c(Cl)cccc1Cl c1coc(c1)C[*:1] O=C(Nc1ccccc1)N(Cc1c(Cl)cccc1Cl)[*:1]
C/C(=N\O)c1ccc([N+](=O)[O-])cc1 CC(=NO)[*:1] O=[N+]([O-])c1ccc(cc1)[*:1]
C/C(=N\O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C/C(=N\O)c1ccc(cc1)[*:1]
Cc1nc(C)c(CC(=O)O[C@@H](C#N)C(C)C)c(=O)[nH]1 CC(C)[*:1] Cc1nc(C)c(CC(=O)O[C@@H](C#N)[*:1])c(=O)[nH]1
C=CCNc1ccccc1C(=O)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1 C=CCN[*:1] O=C(c1ccccc1[*:1])N1CC=C(CC1)n1c(=O)[nH]c2ccccc21
C=CCNc1ccccc1C(=O)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1 C=CC[*:1] O=C(c1ccccc1N[*:1])N1CC=C(CC1)n1c(=O)[nH]c2ccccc21
CC(C)[C@@H](CO)NC(=O)/C=C/c1ccc2c(c1)OCO2 CC(C)[*:1] O=C(/C=C/c1ccc2OCOc2c1)N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)/C=C/c1ccc2c(c1)OCO2 CC(C)[C@@H](CO)[*:1] O=C(/C=C/c1ccc2OCOc2c1)N[*:1]
COc1ccc(-c2ccccc2C(N)=O)c2ccc(C)nc12 NC(=O)[*:1] COc1ccc(-c2ccccc2[*:1])c2ccc(C)nc12
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)NC(=O)C(=O)N[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)[*:1]
CC(C)NC(=O)N1CCn2cccc2[C@H]1C(C)C CC(C)[*:1] CC(C)[C@@H]1c2cccn2CCN1C(=O)N[*:1]
CC(C)NC(=O)N1CCn2cccc2[C@H]1C(C)C CC(C)[*:1] CC(C)NC(=O)N1CCn2cccc2[C@@H]1[*:1]
CCn1cc(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)cn1 C(=C[*:1])c1ccccc1 CCn1cc(cn1)C(=O)N1CCCCC[C@@H]1[*:1]
CCn1cc(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)cn1 CCn1cc(cn1)[*:1] O=C(N1CCCCC[C@H]1/C=C/c1ccccc1)[*:1]
CCn1cc(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)C(=O)N1CCCCC[C@H]1C=C[*:1]
C[C@H](CNC(=O)C(=O)Nc1ccccc1OC(C)(C)C)c1ccsc1 CC(C)(C)[*:1] C[C@H](CNC(=O)C(=O)Nc1ccccc1O[*:1])c1ccsc1
C[C@H](CNC(=O)C(=O)Nc1ccccc1OC(C)(C)C)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)C(=O)Nc1ccccc1OC(C)(C)C)[*:1]
C[C@H](CNC(=O)C(=O)Nc1ccccc1OC(C)(C)C)c1ccsc1 CC(C)(C)O[*:1] C[C@H](CNC(=O)C(=O)Nc1ccccc1[*:1])c1ccsc1
CCN(CC(=O)Nc1cccc(NC(C)=O)c1)c1ccc(C)cc1C CC(=O)N[*:1] CCN(CC(=O)Nc1cccc(c1)[*:1])c1ccc(C)cc1C
CCN(CC(=O)Nc1cccc(NC(C)=O)c1)c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCN(CC(=O)Nc1cccc(c1)NC(C)=O)[*:1]
COC(=O)[C@H](NS(=O)(=O)c1cnn(C(C)C)c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](NS(=O)(=O)c1cnn(c1)C(C)C)[*:1]
COC(=O)[C@H](NS(=O)(=O)c1cnn(C(C)C)c1)c1ccc(C)cc1 CC(C)[*:1] COC(=O)[C@H](NS(=O)(=O)c1cnn(c1)[*:1])c1ccc(C)cc1
COC(=O)[C@H](NS(=O)(=O)c1cnn(C(C)C)c1)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](NS(=O)(=O)c1cnn(c1)C(C)C)[*:1]
COC(=O)[C@H](NS(=O)(=O)c1cnn(C(C)C)c1)c1ccc(C)cc1 CC(C)n1cc(cn1)[*:1] COC(=O)[C@H](NS(=O)(=O)[*:1])c1ccc(C)cc1
C=C(C)c1cccc(C(C)(C)NC(=O)N/N=C/c2ccc(N(C)C)cc2)c1 CN(C)c1ccc(cc1)[*:1] C=C(C)c1cccc(c1)C(C)(C)NC(=O)NN=C[*:1]
C=C(C)c1cccc(C(C)(C)NC(=O)N/N=C/c2ccc(N(C)C)cc2)c1 C=C(C)c1cccc(c1)[*:1] CN(C)c1ccc(/C=N/NC(=O)NC(C)(C)[*:1])cc1
C=C(C)c1cccc(C(C)(C)NC(=O)N/N=C/c2ccc(N(C)C)cc2)c1 CN(C)[*:1] C=C(C)c1cccc(c1)C(C)(C)NC(=O)N/N=C/c1ccc(cc1)[*:1]
C=C(C)c1cccc(C(C)(C)NC(=O)N/N=C/c2ccc(N(C)C)cc2)c1 C=C(C)[*:1] CN(C)c1ccc(/C=N/NC(=O)NC(C)(C)c2cccc(c2)[*:1])cc1
Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(C)C)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)Cn1c(nc2ccccc21)[C@@H](C)NC(=O)[*:1]
Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(C)C)c(C)c1 CC(C)C[*:1] Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2[*:1])c(C)c1
Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2C[*:1])c(C)c1
COc1ccc([C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1OC CC(C)(C)[*:1] COc1ccc(cc1OC)[C@H](C)[NH2+][C@H](C)c1nc(no1)[*:1]
COc1cc(Br)cc(C)c1NCc1ccc(C2CC2)cc1 C1CC1[*:1] COc1cc(Br)cc(C)c1NCc1ccc(cc1)[*:1]
C=C(C)[C@H](NC)[C@@](C)(CC)[NH+]1CCCC1 C=C(C)[*:1] CC[C@](C)([C@@H](NC)[*:1])[NH+]1CCCC1
O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@]12CNC[C@H]1C[NH2+]C2 Fc1cccc(c1)[*:1] O=C(NCC1(CCOCC1)[*:1])[C@]12CNC[C@H]1C[NH2+]C2
Cc1c(I)cccc1[C@H]([NH3+])C(=O)[O-] O=C([O-])[*:1] Cc1c(I)cccc1[C@H]([NH3+])[*:1]
COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1NC(=O)N1CCC[C@H]1[*:1])C(=O)N(C)C
COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC[C@@H]1c1ccccc1 CN(C)C(=O)[*:1] COc1cc(ccc1NC(=O)N1CCC[C@@H]1c1ccccc1)[*:1]
C[NH2+]C[C@H](CCOC)c1ccc(C)cc1 COC[*:1] C[NH2+]C[C@H](C[*:1])c1ccc(C)cc1
C[NH2+]C[C@H](CCOC)c1ccc(C)cc1 COCC[*:1] C[NH2+]C[C@H](c1ccc(C)cc1)[*:1]
CCc1cccc(C)c1NC(=O)C[NH+](CC)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] CCc1cccc(C)c1NC(=O)C[NH+](CC)[*:1]
CCc1cccc(C)c1NC(=O)C[NH+](CC)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] CCc1cccc(C)c1NC(=O)C[NH+](CC)C[*:1]
Cc1ccccc1C(=O)NC1CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 Cc1ccccc1[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1cccc(C(C)C)c1NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C CC(C)[*:1] Cc1cccc(c1NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C)[*:1]
CCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CC(C)OCCCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 CC(C)O[*:1] O=C(NCCC[*:1])N1CCC[NH+](CC1)CC1CCCCC1
CC(C)OCCCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] CC(C)OCCCNC(=O)N1CCC[NH+](CC1)[*:1]
CC(C)OCCCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 CC(C)OC[*:1] O=C(NCC[*:1])N1CCC[NH+](CC1)CC1CCCCC1
CC(C)OCCCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 CC(C)OCC[*:1] O=C(NC[*:1])N1CCC[NH+](CC1)CC1CCCCC1
CC(C)OCCCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 CC(C)OCCC[*:1] O=C(N[*:1])N1CCC[NH+](CC1)CC1CCCCC1
CC(C)OCCCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 CC(C)[*:1] O=C(NCCCO[*:1])N1CCC[NH+](CC1)CC1CCCCC1
CC(C)OCCCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)[*:1] CC(C)OCCCNC(=O)N1CCC[NH+](CC1)C[*:1]
CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 c1ccc(cc1)O[*:1] CC[C@@H](C(=O)NCc1ccc2OCOc2c1)[*:1]
CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] CC[C@@H](O[*:1])C(=O)NCc1ccc2OCOc2c1
CC(=O)Nc1ccc(C)c(NC(=O)N(C2CC2)[C@@H](C)C2CC2)c1 C1CC1[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)N(C1CC1)[C@@H](C)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)N(C2CC2)[C@@H](C)C2CC2)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)N(C1CC1)[C@@H](C)C1CC1)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)N(C2CC2)[C@@H](C)C2CC2)c1 C1CC1[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)N([C@@H](C)C1CC1)[*:1]
O=C([O-])c1nccnc1C(=O)Nc1ccc2c(c1)OCO2 O=C([O-])[*:1] O=C(Nc1ccc2OCOc2c1)c1nccnc1[*:1]
CN(C)C(=O)c1ccc([C@H]2CCCN2C(=O)c2cn[nH]c2-n2cnnn2)s1 CN(C)C(=O)[*:1] O=C(c1cn[nH]c1-n1cnnn1)N1CCC[C@@H]1c1ccc(s1)[*:1]
CN(C)C(=O)c1ccc([C@H]2CCCN2C(=O)c2cn[nH]c2-n2cnnn2)s1 c1nnnn1[*:1] CN(C)C(=O)c1ccc(s1)[C@H]1CCCN1C(=O)c1cn[nH]c1[*:1]
C[C@H]([NH2+]CCC1CCC1)c1occc1Br C1CC(C1)[*:1] C[C@H]([NH2+]CC[*:1])c1occc1Br
C[C@H]([NH2+]CCC1CCC1)c1occc1Br C1CC(C1)C[*:1] C[C@H]([NH2+]C[*:1])c1occc1Br
CCc1ccc([C@@H](C)C(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc1 c1cnc(cn1)[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)NC1CCN(CC1)C(=O)[*:1]
CCc1ccc([C@@H](C)C(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](C(=O)NC1CCN(CC1)C(=O)c1cnccn1)[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCCc3cccs3)C2)c1 c1csc(c1)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)OCC[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCCc3cccs3)C2)c1 Cc1cccc(c1)[*:1] O=C(OCCc1cccs1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCCc3cccs3)C2)c1 c1csc(c1)CC[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)O[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)OCCc3cccs3)C2)c1 c1csc(c1)C[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)OC[*:1]
CC(C)[C@@](C)(O)CNC(=O)c1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)[C@@](C)(O)CNC(=O)c1coc(n1)[*:1]
CC(C)[C@@](C)(O)CNC(=O)c1coc(-c2ccccc2)n1 CC(C)[*:1] C[C@@](O)(CNC(=O)c1coc(n1)-c1ccccc1)[*:1]
O=C(NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)N[*:1]
C[C@H](CNC(=O)Cn1c(=O)oc2ccccc21)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CNC(=O)Cn1c(=O)oc2ccccc21)O[*:1]
C[C@H](CNC(=O)Cn1c(=O)oc2ccccc21)Oc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] C[C@H](CNC(=O)Cn1c(=O)oc2ccccc21)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)cc1 CCO[*:1] Cc1cc(C)c(C(=O)N2CC=C(CC2)c2ccc(cc2)[*:1])c(=O)[nH]1
O=C(C[C@H](O)c1ccccc1)NCCc1ccc2ccccc2c1 O[C@H](c1ccccc1)[*:1] O=C(C[*:1])NCCc1ccc2ccccc2c1
O=C(C[C@H](O)c1ccccc1)NCCc1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])NCCc1ccc2ccccc2c1
O=C(NCc1ccc(C(=O)N2CCCC2)cc1)C1CCCCC1 O=C(N1CCCC1)[*:1] O=C(NCc1ccc(cc1)[*:1])C1CCCCC1
O=C(NCc1ccc(C(=O)N2CCCC2)cc1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(c1ccc(cc1)CNC(=O)[*:1])N1CCCC1
CCc1cc(N2C[C@@H](C)S[C@H](C)C2)nc(-c2ccccn2)n1 c1ccc(nc1)[*:1] CCc1cc(nc(n1)[*:1])N1C[C@@H](C)S[C@H](C)C1
C[C@@H](NC(=O)CCCc1ccccc1)c1ccc(N2CCCC2=O)cc1 c1ccc(cc1)CC[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)N1CCCC1=O
C[C@@H](NC(=O)CCCc1ccccc1)c1ccc(N2CCCC2=O)cc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc(cc1)N1CCCC1=O
C[C@@H](NC(=O)CCCc1ccccc1)c1ccc(N2CCCC2=O)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCC[*:1])c1ccc(cc1)N1CCCC1=O
C[C@@H](NC(=O)CCCc1ccccc1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@@H](NC(=O)CCCc1ccccc1)c1ccc(cc1)[*:1]
O=C(CC1(O)CCCCC1)Nc1cccc(NC(=O)Nc2ccccc2)c1 OC1(CCCCC1)[*:1] O=C(C[*:1])Nc1cccc(c1)NC(=O)Nc1ccccc1
O=C(CC1(O)CCCCC1)Nc1cccc(NC(=O)Nc2ccccc2)c1 OC1(CCCCC1)C[*:1] O=C(Nc1ccccc1)Nc1cccc(c1)NC(=O)[*:1]
O=C(CC1(O)CCCCC1)Nc1cccc(NC(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(CC1(O)CCCCC1)Nc1cccc(c1)NC(=O)N[*:1]
C=CCN1C(=O)CS/C1=N/c1cccc(O)c1 C=CC[*:1] O=C1CS/C(=N/c2cccc(O)c2)N1[*:1]
CCc1cccc(C)c1NC(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 CC[C@H](C)[*:1] CCc1cccc(C)c1NC(=O)N1CCN(CC1)CC(=O)N[*:1]
CCc1cccc(C)c1NC(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 CC[C@H](C)NC(=O)[*:1] CCc1cccc(C)c1NC(=O)N1CCN(CC1)C[*:1]
CCc1cccc(C)c1NC(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 CC[C@H](C)NC(=O)C[*:1] CCc1cccc(C)c1NC(=O)N1CCN(CC1)[*:1]
CC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC CC[C@H](C)[*:1] COc1cc(ccc1S(=O)(=O)N[*:1])[N+](=O)[O-]
CC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] CC[C@H](C)NS(=O)(=O)c1ccc(cc1OC)[*:1]
CCCc1ccc(-c2cc(NC(=O)[C@H]3CCO[C@H]3C)n(CCO)n2)cc1 OCC[*:1] CCCc1ccc(cc1)-c1cc(NC(=O)[C@H]2CCO[C@H]2C)n(n1)[*:1]
CCCc1ccc(-c2cc(NC(=O)[C@H]3CCO[C@H]3C)n(CCO)n2)cc1 CCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(nn1CCO)-c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(CCSc2nnnn2-c2ccc(O)cc2)cc1 O=[N+]([O-])[*:1] Oc1ccc(cc1)-n1nnnc1SCCc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(CCSc2nnnn2-c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)CCSc1nnnn1[*:1]
CC(C)(C)OC(=O)N1CC[C@@H]2CO[C@@H](CC(=O)[O-])[C@@H]2C1 CC(C)(C)[*:1] O=C([O-])C[C@@H]1OC[C@H]2CCN(C[C@H]21)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CC[C@@H]2CO[C@@H](CC(=O)[O-])[C@@H]2C1 O=C([O-])C[*:1] CC(C)(C)OC(=O)N1CC[C@@H]2CO[C@@H]([C@@H]2C1)[*:1]
CC(C)(C)OC(=O)N1CC[C@@H]2CO[C@@H](CC(=O)[O-])[C@@H]2C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CC[C@@H]2CO[C@@H](C[*:1])[C@@H]2C1
O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(-n2cccn2)ccn1 O=[N+]([O-])[*:1] O=C(NCCc1cccc(c1)[*:1])c1cc(ccn1)-n1cccn1
O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(-n2cccn2)ccn1 c1cnn(c1)[*:1] O=C(NCCc1cccc(c1)[N+](=O)[O-])c1cc(ccn1)[*:1]
Cc1cccc(Cn2nc(C)c(NC(=O)c3cccc(C)c3)c2C)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)Cn1nc(C)c(NC(=O)[*:1])c1C
Cc1cccc(Cn2nc(C)c(NC(=O)c3cccc(C)c3)c2C)c1 Cc1cccc(c1)C[*:1] Cc1cccc(c1)C(=O)Nc1c(C)nn(c1C)[*:1]
Cc1cccc(Cn2nc(C)c(NC(=O)c3cccc(C)c3)c2C)c1 Cc1cccc(c1)[*:1] Cc1cccc(c1)C(=O)Nc1c(C)nn(C[*:1])c1C
Cc1cc([C@H]2CCCN2C(=O)CCc2c(C)c3c(=O)[nH]n(C)c3[nH]c2=O)on1 Cc1cc(on1)[*:1] Cc1c(CCC(=O)N2CCC[C@@H]2[*:1])c(=O)[nH]c2c1c(=O)[nH]n2C
CS[C@H](C)C(=O)Nc1ccccc1C[NH+]1CCCC1 CS[C@H](C)[*:1] O=C(Nc1ccccc1C[NH+]1CCCC1)[*:1]
Cc1c(CCC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cnn1C Oc1ccc(cc1)[*:1] Cc1c(cnn1C)CCC(=O)N(C)[C@H](C)C[*:1]
Cc1c(CCC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cnn1C Cc1c(cnn1C)[*:1] C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CC[*:1]
Cc1cc(C(=O)N2CCN(C(=O)NCc3cccc(Cl)c3)CC2)on1 Clc1cccc(c1)[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)C(=O)NC[*:1]
Cc1cc(C(=O)N2CCN(C(=O)NCc3cccc(Cl)c3)CC2)on1 Clc1cccc(c1)C[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)C(=O)N[*:1]
Cc1cc(C(=O)N2CCN(C(=O)NCc3cccc(Cl)c3)CC2)on1 Cc1cc(on1)[*:1] O=C(NCc1cccc(Cl)c1)N1CCN(CC1)C(=O)[*:1]
COc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ccccc1N1CSC2=C(C#N)[C@@H](CC(=O)N2C1)[*:1]
COc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)c(OC)c1 Cc1ccccc1[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(=O)N2CN(CSC2=C1C#N)[*:1]
O=C(CNC(=O)c1ccc(Br)o1)N[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCCCC1 Brc1ccc(o1)[*:1] O=C(CNC(=O)[*:1])N[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCCCC1
c1coc(-c2nc3c(c(N4CCSCC4)n2)CC[NH2+]CC3)c1 C1CN(CCS1)[*:1] c1coc(c1)-c1nc2CC[NH2+]CCc2c(n1)[*:1]
c1coc(-c2nc3c(c(N4CCSCC4)n2)CC[NH2+]CC3)c1 c1coc(c1)[*:1] C1Cc2nc(nc(c2CC[NH2+]1)N1CCSCC1)[*:1]
O=C(Cc1nnn(-c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1nnn(n1)-c1ccccc1)[*:1]
O=C(Cc1nnn(-c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1nnn(n1)[*:1])c1ccccc1
CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 CN(C)S(=O)(=O)[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(cc1)[*:1]
C[C@H]1CC[C@@H](C[NH3+])CN1c1ccc(C(N)=O)nn1 NC(=O)[*:1] C[C@H]1CC[C@@H](C[NH3+])CN1c1ccc(nn1)[*:1]
C=C(C)C[C@H](O)c1ccc2ncccc2c1 C=C(C)[*:1] O[C@@H](C[*:1])c1ccc2ncccc2c1
C=C(C)C[C@H](O)c1ccc2ncccc2c1 C=C(C)C[*:1] O[C@H](c1ccc2ncccc2c1)[*:1]
COCCN(C)C(=O)c1cccc(COc2cccc(F)c2)c1 COCC[*:1] CN(C(=O)c1cccc(c1)COc1cccc(F)c1)[*:1]
COCCN(C)C(=O)c1cccc(COc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COCCN(C)C(=O)c1cccc(c1)CO[*:1]
COCCN(C)C(=O)c1cccc(COc2cccc(F)c2)c1 COC[*:1] CN(C[*:1])C(=O)c1cccc(c1)COc1cccc(F)c1
Cc1ccc(CCN2CCN(C(=O)c3ccncc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccncc1)N1CCN(CC1)CC[*:1]
Cc1ccc(CCN2CCN(C(=O)c3ccncc3)CC2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)CCN1CCN(CC1)C(=O)[*:1]
CCOc1c(F)cccc1C(=O)Nc1cccc(OCc2cccnc2)c1 CCO[*:1] O=C(Nc1cccc(c1)OCc1cccnc1)c1cccc(F)c1[*:1]
CCOc1c(F)cccc1C(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] CCOc1c(F)cccc1C(=O)Nc1cccc(c1)O[*:1]
CCOc1c(F)cccc1C(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)CO[*:1] CCOc1c(F)cccc1C(=O)Nc1cccc(c1)[*:1]
CCOc1c(F)cccc1C(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] CCOc1c(F)cccc1C(=O)Nc1cccc(c1)OC[*:1]
COc1cccc(CNCC(O)(c2ccc(F)cc2)c2ccc(F)cc2)c1 COc1cccc(c1)C[*:1] OC(CN[*:1])(c1ccc(F)cc1)c1ccc(F)cc1
COc1cccc(CNCC(O)(c2ccc(F)cc2)c2ccc(F)cc2)c1 COc1cccc(c1)[*:1] OC(CNC[*:1])(c1ccc(F)cc1)c1ccc(F)cc1
COc1cccc(CNCC(O)(c2ccc(F)cc2)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CNCC(O)(c1ccc(F)cc1)[*:1]
O=c1[nH]c2ccccc2c(=O)n1CCSCCCO OCCC[*:1] O=c1[nH]c2ccccc2c(=O)n1CCS[*:1]
O=c1[nH]c2ccccc2c(=O)n1CCSCCCO OCCCSC[*:1] O=c1[nH]c2ccccc2c(=O)n1C[*:1]
O=c1[nH]c2ccccc2c(=O)n1CCSCCCO OCC[*:1] O=c1[nH]c2ccccc2c(=O)n1CCSC[*:1]
O=c1[nH]c2ccccc2c(=O)n1CCSCCCO OCCCS[*:1] O=c1[nH]c2ccccc2c(=O)n1CC[*:1]
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 C1CN(CCO1)[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccc(cc1)[N+](=O)[O-]
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(cc1)[*:1]
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(cc2)[N+](=O)[O-])N1CCN1CCOCC1
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 C1CN(CCO1)CC[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1[*:1]
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 Cc1ccc(C)c(c1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2ccc(cc2)[N+](=O)[O-])N1CCN1CCOCC1)[*:1]
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 C1CN(CCO1)C[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(cc1)[N+](=O)[O-]
CCC[NH2+][C@H]1CCC[C@@H]1CCSc1ncccc1Cl CCC[*:1] Clc1cccnc1SCC[C@H]1CCC[C@@H]1[NH2+][*:1]
COc1ccc(S(=O)(=O)NCc2nnnn2-c2cccc(F)c2)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)S(=O)(=O)NCc1nnnn1[*:1]
Cc1ccc(-c2c[nH]c(=O)cc2C(=O)[O-])cc1Cl O=C([O-])[*:1] Cc1ccc(cc1Cl)-c1c[nH]c(=O)cc1[*:1]
C[C@@H](Cn1cccn1)OC(=O)[C@H]1CSCN1C(=O)C1CCC1 c1cnn(c1)C[*:1] C[C@@H](OC(=O)[C@H]1CSCN1C(=O)C1CCC1)[*:1]
C[C@@H](Cn1cccn1)OC(=O)[C@H]1CSCN1C(=O)C1CCC1 C1CC(C1)[*:1] C[C@@H](Cn1cccn1)OC(=O)[C@H]1CSCN1C(=O)[*:1]
C[C@@H](Cn1cccn1)OC(=O)[C@H]1CSCN1C(=O)C1CCC1 c1cnn(c1)[*:1] C[C@@H](C[*:1])OC(=O)[C@H]1CSCN1C(=O)C1CCC1
CC[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3C(C)=O)cn2)CC1 CC(=O)[*:1] CC[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)c1ccccc1[*:1]
CC[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3C(C)=O)cn2)CC1 CC(=O)c1ccccc1[*:1] CC[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)[*:1]
Cc1ccsc1CNC(=O)CSCc1nc(C(C)(C)C)no1 Cc1ccsc1C[*:1] CC(C)(C)c1noc(CSCC(=O)N[*:1])n1
Cc1ccsc1CNC(=O)CSCc1nc(C(C)(C)C)no1 Cc1ccsc1[*:1] CC(C)(C)c1noc(CSCC(=O)NC[*:1])n1
Cc1ccsc1CNC(=O)CSCc1nc(C(C)(C)C)no1 CC(C)(C)[*:1] Cc1ccsc1CNC(=O)CSCc1nc(no1)[*:1]
CSc1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] O=C([O-])[*:1] CSc1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1[*:1]
O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CC2)ccc1Br O=[N+]([O-])[*:1] OCC1(CC1)C[NH2+]Cc1ccc(Br)c(c1)[*:1]
O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CC2)ccc1Br OCC1(CC1)C[*:1] O=[N+]([O-])c1cc(ccc1Br)C[NH2+][*:1]
O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CC2)ccc1Br OCC1(CC1)[*:1] O=[N+]([O-])c1cc(ccc1Br)C[NH2+]C[*:1]
C[C@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[C@H](O)[*:1]
CCn1cc(/C([O-])=N/c2nnc(CC(C)C)s2)c(=O)c2cc(F)ccc21 CC(C)C[*:1] CCn1cc(/C([O-])=N/c2nnc(s2)[*:1])c(=O)c2cc(F)ccc21
CCn1cc(/C([O-])=N/c2nnc(CC(C)C)s2)c(=O)c2cc(F)ccc21 CC(C)[*:1] CCn1cc(/C([O-])=N/c2nnc(C[*:1])s2)c(=O)c2cc(F)ccc21
O=C(NC[C@@H](O)c1cccc2ccccc12)c1cccs1 c1csc(c1)[*:1] O=C(NC[C@@H](O)c1cccc2ccccc12)[*:1]
COc1cccc(C2(NC(=O)c3cc(C(C)(C)C)n[nH]3)CCCC2)c1 CC(C)(C)[*:1] COc1cccc(c1)C1(CCCC1)NC(=O)c1cc(n[nH]1)[*:1]
COc1cccc(C2(NC(=O)c3cc(C(C)(C)C)n[nH]3)CCCC2)c1 COc1cccc(c1)[*:1] CC(C)(C)c1cc([nH]n1)C(=O)NC1(CCCC1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O c1ccc(cc1)C[*:1] CC(C)N(C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccsc1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O CC(C)[*:1] C[C@@]1(NC(=O)N(CC(=O)N(Cc2ccccc2)[*:1])C1=O)c1ccsc1
CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O c1cc(cs1)[*:1] CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccsc1
C[C@@H](NC(=O)CNc1ccccc1F)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)CNc1ccccc1F)[*:1]
COc1ccc(C2(CNC(=O)c3ccc(C)c(NC(C)=O)c3)CCOCC2)cc1 CC(=O)N[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)c1ccc(C)c(c1)[*:1]
COc1ccc(C2(CNC(=O)c3ccc(C)c(NC(C)=O)c3)CCOCC2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1C)C(=O)NCC1(CCOCC1)[*:1]
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1ccoc1C Cc1occc1[*:1] Cc1nc([nH]c(=O)c1C(=O)NC[*:1])C(C)(C)C
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1ccoc1C CC(C)(C)[*:1] Cc1nc([nH]c(=O)c1C(=O)NCc1ccoc1C)[*:1]
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1ccoc1C Cc1occc1C[*:1] Cc1nc([nH]c(=O)c1C(=O)N[*:1])C(C)(C)C
COc1cccc(NC(=O)C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1 FC(F)(F)[*:1] COc1cccc(c1)NC(=O)C(=O)NC[C@](O)(c1ccccc1)[*:1]
COc1cccc(NC(=O)C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)C(=O)NC[C@](O)(C(F)(F)F)[*:1]
COc1cccc(NC(=O)C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1 COc1cccc(c1)[*:1] O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)C(=O)N[*:1]
CC[C@@H](C)C[NH2+]CC/N=C(\O)c1ncccc1O CC[C@@H](C)[*:1] O/C(=N\CC[NH2+]C[*:1])c1ncccc1O
CC(=O)[C@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 CC(=O)[*:1] O=C1[C@@H]2[C@H]3c4ccccc4C=CN3[C@H]([C@@H]2C(=O)N1c1cc(Cl)ccc1Cl)[*:1]
CC(=O)[C@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 Clc1ccc(Cl)c(c1)[*:1] CC(=O)[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21)[*:1]
CCn1c(SC[C@@H](O)c2cccc(Cl)c2)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SC[C@@H](O)c1cccc(Cl)c1
CCn1c(SC[C@@H](O)c2cccc(Cl)c2)nnc1-c1ccco1 Clc1cccc(c1)[*:1] CCn1c(nnc1-c1ccco1)SC[C@@H](O)[*:1]
c1ccc(-c2cc(C[NH2+][C@H]3C[C@H]4CC[C@@H]3C4)no2)cc1 c1ccc(cc1)[*:1] c1c(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)noc1[*:1]
COC[C@H]1CCCN(C(=O)c2ccc([O-])nn2)C1 COC[*:1] O=C(c1ccc([O-])nn1)N1CCC[C@@H](C1)[*:1]
CC1=NN(Cc2cccc(C)c2)[C@H](NC(=O)c2ncn[nH]2)C1 Cc1cccc(c1)[*:1] CC1C[C@@H](NC(=O)c2ncn[nH]2)N(C[*:1])N=1
CC1=NN(Cc2cccc(C)c2)[C@H](NC(=O)c2ncn[nH]2)C1 c1n[nH]c(n1)[*:1] CC1C[C@@H](NC(=O)[*:1])N(Cc2cccc(C)c2)N=1
O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCO3)c(Cl)c1 O=[N+]([O-])[*:1] Clc1cc(ccc1NCc1ccc2OCOc2c1)[*:1]
CCc1ccsc1[C@@H]([NH3+])c1c(OC)cc(OC)cc1OC CCc1ccsc1[*:1] COc1cc(OC)c(c(c1)OC)[C@H]([NH3+])[*:1]
Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c(F)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C[NH+]2CCC(CC2)C(=O)NC[*:1])c(F)c1
Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)NCc1ccccc1)N[*:1]
Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c(F)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)C[NH+]2CCC(CC2)C(=O)N[*:1])c(F)c1
COc1cccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cccc(c1)[C@@]1(O)CC(=NN1C(=O)c1ccccc1[*:1])C(F)(F)F
COc1cccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2[N+](=O)[O-])c1 COc1cccc(c1)[*:1] O=C(c1ccccc1[N+](=O)[O-])N1N=C(C[C@@]1(O)[*:1])C(F)(F)F
COc1cccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2[N+](=O)[O-])c1 FC(F)(F)[*:1] COc1cccc(c1)[C@@]1(O)CC(=NN1C(=O)c1ccccc1[N+](=O)[O-])[*:1]
COc1cccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2[N+](=O)[O-])c1 O=[N+]([O-])c1ccccc1[*:1] COc1cccc(c1)[C@@]1(O)CC(=NN1C(=O)[*:1])C(F)(F)F
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCc3ccccc32)cc1 N#CC[*:1] O=C(Nc1ccccc1COc1ccc(cc1)[*:1])N[C@@H]1CCCc2ccccc21
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCc3ccccc32)cc1 N#CCc1ccc(cc1)[*:1] O=C(Nc1ccccc1CO[*:1])N[C@@H]1CCCc2ccccc21
N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCc3ccccc32)cc1 N#CCc1ccc(cc1)O[*:1] O=C(Nc1ccccc1C[*:1])N[C@@H]1CCCc2ccccc21
CCO[C@H](C)c1nc(CN(C)C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cs1 O=[N+]([O-])[*:1] CCO[C@H](C)c1nc(cs1)CN(C)C(=O)[C@H]1C[C@H]1[*:1]
CCO[C@H](C)c1nc(CN(C)C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cs1 CCO[*:1] C[C@H](c1nc(cs1)CN(C)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])[*:1]
CCO[C@H](C)c1nc(CN(C)C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cs1 CCO[C@H](C)[*:1] CN(Cc1csc(n1)[*:1])C(=O)[C@H]1C[C@@H]1[N+](=O)[O-]
CSc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)cn1 CC(C)C[*:1] CSc1ccc(cn1)C(=O)N[C@@H](C(=O)Nc1nccs1)[*:1]
CSc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)cn1 O=C(Nc1nccs1)[*:1] CSc1ccc(cn1)C(=O)N[C@@H](CC(C)C)[*:1]
CSc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)cn1 c1csc(n1)[*:1] CSc1ccc(cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[*:1]
CSc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)cn1 CC(C)[*:1] CSc1ccc(cn1)C(=O)N[C@@H](C[*:1])C(=O)Nc1nccs1
CSc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)cn1 CSc1ccc(cn1)[*:1] CC(C)C[C@H](NC(=O)[*:1])C(=O)Nc1nccs1
Cc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1nc2cc(nn2c(C)c1CC(=O)NC[*:1])-c1ccccc1
Cc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1nc2cc(nn2c(C)c1CC(=O)NCC[*:1])-c1ccccc1
Cc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)NCCN1CCOCC1 c1ccc(cc1)[*:1] Cc1nc2cc(nn2c(C)c1CC(=O)NCCN1CCOCC1)[*:1]
Cc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1nc2cc(nn2c(C)c1CC(=O)N[*:1])-c1ccccc1
CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)c1 CC(C)(O)CC[*:1] O=C(N[C@@H]1CCc2[nH]ncc2C1)c1cccc(c1)[*:1]
CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)c1 CC(C)(O)C[*:1] O=C(N[C@@H]1CCc2[nH]ncc2C1)c1cccc(c1)C[*:1]
CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)c1 CC(C)(O)[*:1] O=C(N[C@@H]1CCc2[nH]ncc2C1)c1cccc(c1)CC[*:1]
O=C1[NH+]=CC=C/C1=C1\C=C([O-])NC([C@@H]2CCN(C(=O)c3ccccn3)C2)=N1 c1ccc(nc1)[*:1] O=C1[NH+]=CC=C/C1=C1\C=C([O-])NC(=N1)[C@@H]1CCN(C1)C(=O)[*:1]
O=C(Nc1ccc(CC(=O)N2CCCCC2)cc1)c1cc2cccnn2n1 O=C(N1CCCCC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cc2cccnn2n1
O=C(Nc1ccc(CC(=O)N2CCCCC2)cc1)c1cc2cccnn2n1 O=C(C[*:1])N1CCCCC1 O=C(Nc1ccc(cc1)[*:1])c1cc2cccnn2n1
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCc2cc(Cl)ccc21 CCC[*:1] O=C([C@H]1CCCN1S(=O)(=O)[*:1])N1CCCc2cc(Cl)ccc21
NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 NC(=O)C[*:1] O=C1[C@@H]2[C@H](C[*:1])N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1CCc1ccccc1
NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 c1ccc(cc1)C[*:1] NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 c1ccc(cc1)CC[*:1] NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 c1ccc(cc1)[*:1] NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CC[*:1])C(=O)[C@H]12
NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 NC(=O)[*:1] O=C1[C@@H]2[C@H](CC[*:1])N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1CCc1ccccc1
NC(=O)CC[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 NC(=O)CC[*:1] O=C1[C@@H]2[C@@H](N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1CCc1ccccc1)[*:1]
CCOC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)C1 CCO[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)C(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)C1 CC(C)N(C)[*:1] CCOC[C@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
CCOC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)C1 CCOC[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)C1 CC(C)[*:1] CCOC[C@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(c(F)c1)N(C)[*:1]
CCN(C(=O)CSc1nc(=O)c2c(C)cc(C)nc2n1C1CC1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CSc1nc(=O)c2c(C)cc(C)nc2n1C1CC1)[*:1]
CCN(C(=O)CSc1nc(=O)c2c(C)cc(C)nc2n1C1CC1)c1ccccc1 C1CC1[*:1] CCN(C(=O)CSc1nc(=O)c2c(C)cc(C)nc2n1[*:1])c1ccccc1
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] N#C/C(=C/c1cn(Cc2ccccc2)nc1[*:1])c1ccccn1
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] N#C/C(=C/c1cn(C[*:1])nc1-c1ccccc1)c1ccccn1
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)[*:1]
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccn1 c1ccc(cc1)C[*:1] N#C/C(=C/c1cn(nc1-c1ccccc1)[*:1])c1ccccn1
Cc1cc(CC(=O)Nc2cc(Br)c[nH]c2=O)no1 Cc1cc(no1)[*:1] O=C(C[*:1])Nc1cc(Br)c[nH]c1=O
CCCOc1ccc(Cn2ccc(C)cc2=O)cc1 CCC[*:1] Cc1ccn(Cc2ccc(cc2)O[*:1])c(=O)c1
CCCOc1ccc(Cn2ccc(C)cc2=O)cc1 CCCO[*:1] Cc1ccn(Cc2ccc(cc2)[*:1])c(=O)c1
Cc1ccc(-c2noc(CN3CCCC4(C3)OCCO4)n2)cc1 Cc1ccc(cc1)[*:1] C1CN(Cc2nc(no2)[*:1])CC2(C1)OCCO2
CCNC(=O)NNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 c1nnnn1[*:1] CCNC(=O)NNC(=O)[C@@H](Cc1ccccc1)[*:1]
CCNC(=O)NNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)C[*:1] CCNC(=O)NNC(=O)[C@@H](n1cnnn1)[*:1]
CCNC(=O)NNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 c1ccc(cc1)[*:1] CCNC(=O)NNC(=O)[C@@H](C[*:1])n1cnnn1
CC[C@@H]1CCCCN1C(=O)NCCC(=O)Nc1cccc(Cl)c1C Cc1c(Cl)cccc1[*:1] CC[C@@H]1CCCCN1C(=O)NCCC(=O)N[*:1]
CC[C@H](C)NC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O CC[C@H](C)NC(=O)[*:1] O=c1c2c(noc2ncn1C[*:1])-c1ccc(Cl)cc1
CC[C@H](C)NC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O CC[C@H](C)[*:1] O=C(Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O)N[*:1]
CC[C@H](C)NC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O Clc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)Cn1cnc2onc(c2c1=O)[*:1]
CC[C@H](C)NC(=O)Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O CC[C@H](C)NC(=O)C[*:1] O=c1c2c(noc2ncn1[*:1])-c1ccc(Cl)cc1
CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cccc(Cl)c2Cl)C1 CCNS(=O)(=O)[*:1] O=C(Nc1cccc(Cl)c1Cl)N1CC[C@@H](C1)[*:1]
COc1ccc(NC(=O)C2CC[NH+](Cc3csc4c3CCCC4)CC2)cc1OC c1sc2CCCCc2c1[*:1] COc1ccc(cc1OC)NC(=O)C1CC[NH+](CC1)C[*:1]
C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 Fc1ccc(c(F)c1)[*:1] C[C@@H](N1CCN(CC1)C(=O)[C@H]1CCC(=O)N1)[*:1]
C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 O=C1CC[C@@H](N1)[*:1] C[C@@H](c1ccc(F)cc1F)N1CCN(CC1)C(=O)[*:1]
CSC[C@H](CCO)NC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C CSC[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[C@@H](CCO)[*:1]
CSC[C@H](CCO)NC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C OCC[*:1] CSC[C@H](NC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C)[*:1]
CSC[C@H](CCO)NC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C CSC[C@H](CCO)[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[*:1]
CC(=O)c1cccc(NC(=O)c2ccc(C3SCCCS3)cc2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)C1SCCCS1
CC(=O)c1cccc(NC(=O)c2ccc(C3SCCCS3)cc2)c1 C1CSC(SC1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
N#Cc1cnn(CCN2CCO[C@H](CNc3cccn[nH+]3)C2)c1 N#Cc1cnn(c1)[*:1] c1cn[nH+]c(c1)NC[C@@H]1CN(CCO1)CC[*:1]
c1ccc(-c2noc(CO[C@@H]3CCC[NH2+]C3)n2)cc1 c1ccc(cc1)[*:1] C1C[NH2+]C[C@@H](C1)OCc1nc(no1)[*:1]
O=C(NCc1cccnc1)c1cccc2c1CCN2C(=O)C1CC1 c1cncc(c1)C[*:1] O=C(N[*:1])c1cccc2c1CCN2C(=O)C1CC1
O=C(NCc1cccnc1)c1cccc2c1CCN2C(=O)C1CC1 C1CC1[*:1] O=C(NCc1cccnc1)c1cccc2c1CCN2C(=O)[*:1]
O=C(NCc1cccnc1)c1cccc2c1CCN2C(=O)C1CC1 c1cncc(c1)[*:1] O=C(NC[*:1])c1cccc2c1CCN2C(=O)C1CC1
Cn1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)n1 Cn1ccc(n1)[*:1] O=C([C@@H]1CCCN(C1)C(=O)[*:1])N1CCCC1
Cn1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)n1 O=C(N1CCCC1)[*:1] Cn1ccc(n1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H](C)C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1nc(sc1[C@H](C)N[C@@H](C)C(=O)OC(C)(C)C)[*:1]
Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H](C)C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1nc(sc1[C@H](C)N[C@@H](C)C(=O)O[*:1])C(C)(C)C
Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H](C)C(=O)OC(C)(C)C CC(C)(C)OC(=O)[*:1] Cc1nc(sc1[C@H](C)N[C@@H](C)[*:1])C(C)(C)C
Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccccc3Cl)nnc1n2C Clc1ccccc1[*:1] Cn1c(=O)[nH]c(=O)c2c1n1c(nnc1n2C)[*:1]
Cc1ccc(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(OCC(=O)[*:1])c1ccc(cc1)S(=O)(=O)C(F)F
Cc1ccc(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1 O=S(=O)(C(F)F)[*:1] Cc1ccc(C)c(c1)C(=O)COC(=O)c1ccc(cc1)[*:1]
Cc1ccc(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1 FC(F)[*:1] Cc1ccc(C)c(c1)C(=O)COC(=O)c1ccc(cc1)S(=O)(=O)[*:1]
CCCNC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2c(C)noc2C)cc1 CCCNC(=O)N[*:1] Cc1noc(C)c1[C@H](C)NC(=O)Cc1ccc(cc1)[*:1]
CCCNC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CCCNC(=O)Nc1ccc(cc1)CC(=O)N[C@@H](C)[*:1]
CCCNC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2c(C)noc2C)cc1 CCC[*:1] Cc1noc(C)c1[C@H](C)NC(=O)Cc1ccc(cc1)NC(=O)N[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(CC1)c1nnnn1[*:1]
COc1ccc([C@H](NC(=O)[C@H](C)O[C@@H]2CCC[C@@H](C)C2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H](C1CCOCC1)[*:1]
COc1ccc([C@H](NC(=O)[C@H](C)O[C@@H]2CCC[C@@H](C)C2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)[C@H](C)O[C@@H]1CCC[C@@H](C)C1)[*:1]
CC[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br CC[C@@H](C)[*:1] CN(S(=O)(=O)c1cc(ccc1Br)C(=O)[O-])[*:1]
CC[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br O=C([O-])[*:1] CC[C@@H](C)N(C)S(=O)(=O)c1cc(ccc1Br)[*:1]
O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2OCC[C@@H]3CCCCN3C(=O)c2c1)c1ccccc1C(=O)[*:1]
O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccccc1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(Nc1ccc2OCC[C@@H]3CCCCN3C(=O)c2c1)c1ccccc1[*:1]
Cc1cccc(NC(=O)CNC(=O)c2cc3sccc3n2C)c1 Cc1cccc(c1)[*:1] Cn1c(cc2sccc21)C(=O)NCC(=O)N[*:1]
c1ccc(Cn2cc(CNc3ccc4cc[nH]c4n3)cn2)cc1 c1ccc(cc1)C[*:1] c1cc2ccc(nc2[nH]1)NCc1cnn(c1)[*:1]
c1ccc(Cn2cc(CNc3ccc4cc[nH]c4n3)cn2)cc1 c1ccc(cc1)[*:1] c1cc2ccc(nc2[nH]1)NCc1cnn(c1)C[*:1]
CC[C@@H](CSC)N(C)C(=O)c1c(C)c2ccccc2oc1=O CSC[*:1] CC[C@@H](N(C)C(=O)c1c(C)c2ccccc2oc1=O)[*:1]
CCC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)cn2)CC1 CCC(C)(C)[*:1] O=C(Nc1ccc(nc1)N1CCN(CC1)C(=O)[*:1])c1ccccc1F
CCC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)cn2)CC1 Fc1ccccc1[*:1] CCC(C)(C)C(=O)N1CCN(CC1)c1ccc(cn1)NC(=O)[*:1]
CCCNC(=O)[C@H]1CCCN(c2cc(C)ccc2[N+](=O)[O-])C1 CCCNC(=O)[*:1] Cc1ccc(c(c1)N1CCC[C@@H](C1)[*:1])[N+](=O)[O-]
CCCNC(=O)[C@H]1CCCN(c2cc(C)ccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CCCNC(=O)[C@H]1CCCN(C1)c1cc(C)ccc1[*:1]
CCCNC(=O)[C@H]1CCCN(c2cc(C)ccc2[N+](=O)[O-])C1 CCC[*:1] Cc1ccc(c(c1)N1CCC[C@@H](C1)C(=O)N[*:1])[N+](=O)[O-]
NC(=O)C(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 c1ccc(nc1)[*:1] NC(=O)C(=O)N1CCc2c(C1)nc([nH]c2=O)[*:1]
CCOC1CCN(C(=O)Cc2c(CC)noc2CC)CC1 CCO[*:1] CCc1noc(CC)c1CC(=O)N1CCC(CC1)[*:1]
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc2[C@H](CCCn2n1)NC(=O)N1CCCC[C@@H]1C[*:1]
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2[C@H](CCCn2n1)NC(=O)N1CCCC[C@@H]1CC[*:1]
Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1nc2[C@H](CCCn2n1)NC(=O)N1CCCC[C@H]1[*:1]
CC[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(C(C)=O)cc1 CC(=O)[*:1] CC[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(C(C)=O)cc1 c1ccc(cc1)[*:1] CC[C@@H](Sc1nnc(n1C)[*:1])C(=O)Nc1ccc(cc1)C(C)=O
CC[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(C(C)=O)cc1 CC(=O)c1ccc(cc1)[*:1] CC[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)N[*:1]
O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@@H]2C=C(c3ccccn3)N=N2)CC1 c1ccc(nc1)[*:1] O=C(Nc1cccc(Br)c1)C1CCN(CC1)C(=O)[C@@H]1C=C(N=N1)[*:1]
O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@@H]2C=C(c3ccccn3)N=N2)CC1 Brc1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@@H]1C=C(N=N1)c1ccccn1
NC(=O)c1ccc(N2CCN(Cc3cccc4c3OCO4)CC2)cc1 NC(=O)[*:1] c1cc(CN2CCN(CC2)c2ccc(cc2)[*:1])c2OCOc2c1
C[NH+](C)[C@H]1CN(C(=O)c2ccc(CCC(C)(C)O)cc2)C[C@@H]1O CC(C)(O)CC[*:1] C[NH+](C)[C@H]1CN(C[C@@H]1O)C(=O)c1ccc(cc1)[*:1]
C[NH+](C)[C@H]1CN(C(=O)c2ccc(CCC(C)(C)O)cc2)C[C@@H]1O CC(C)(O)C[*:1] C[NH+](C)[C@H]1CN(C[C@@H]1O)C(=O)c1ccc(cc1)C[*:1]
C[NH+](C)[C@H]1CN(C(=O)c2ccc(CCC(C)(C)O)cc2)C[C@@H]1O CC(C)(O)[*:1] C[NH+](C)[C@H]1CN(C[C@@H]1O)C(=O)c1ccc(cc1)CC[*:1]
CCc1nc2ccccc2n1C1CCN(C(=O)NCCNC(C)=O)CC1 CC(=O)NC[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)NC[*:1]
CCc1nc2ccccc2n1C1CCN(C(=O)NCCNC(C)=O)CC1 CC(=O)N[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)NCC[*:1]
CCc1nc2ccccc2n1C1CCN(C(=O)NCCNC(C)=O)CC1 CC(=O)NCC[*:1] CCc1nc2ccccc2n1C1CCN(CC1)C(=O)N[*:1]
C[NH+](C)CCN(Cc1cccnc1)C(=O)Cc1ccc2c(c1)CCC2 c1cncc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Cc1ccc2CCCc2c1
C[NH+](C)CCN(Cc1cccnc1)C(=O)Cc1ccc2c(c1)CCC2 c1cncc(c1)C[*:1] C[NH+](C)CCN(C(=O)Cc1ccc2CCCc2c1)[*:1]
COc1ccc(O[C@H](C)C(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)O[C@H](C)C(=O)NC[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc3nccnc3c2)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)COc2ccc3nccnc3c2)c(C)c1[*:1]
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 NS(=O)(=O)[*:1] CCOC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 CCOC(=O)[*:1] NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1cscc1C(=O)OCc1nc(Cc2ccc(F)cc2)no1 Cc1cscc1[*:1] O=C(OCc1nc(Cc2ccc(F)cc2)no1)[*:1]
Cc1cscc1C(=O)OCc1nc(Cc2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] Cc1cscc1C(=O)OCc1nc(C[*:1])no1
C[C@H]([NH3+])c1nc(C(=O)NCC2(C)COC2)cs1 CC1(COC1)[*:1] C[C@H]([NH3+])c1nc(cs1)C(=O)NC[*:1]
Cc1ccc(OCCN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1 Cc1ccc(cc1)O[*:1] C[C@@]1(NC(=O)N(CC[*:1])C1=O)c1ccc(cc1)S(C)(=O)=O
Cc1ccc(OCCN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)OCCN1C(=O)N[C@@](C)(C1=O)c1ccc(cc1)[*:1]
Cc1ccc(OCCN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1 Cc1ccc(cc1)OC[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(cc1)S(C)(=O)=O
Cc1ccc(OCCN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CCO[*:1])C1=O)c1ccc(cc1)S(C)(=O)=O
CC1CCN(C(=O)c2cccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 CC(C)(C)c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1cccc(c1)NC(=S)NC(=O)[*:1]
CC1CCN(C(=O)c2cccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 CC1CCN(CC1)C(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc1cccc(c1)[*:1]
CC1CCN(C(=O)c2cccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 CC(C)(C)[*:1] CC1CCN(CC1)C(=O)c1cccc(c1)NC(=S)NC(=O)c1ccc(cc1)[*:1]
NC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] NC(=O)N1CCN(CC1)c1ccc(Cl)cc1[*:1]
O=C(C[NH+](Cc1ccco1)Cc1cccs1)N1CC=C(c2ccccc2)CC1 c1coc(c1)[*:1] O=C(C[NH+](Cc1cccs1)C[*:1])N1CC=C(CC1)c1ccccc1
O=C(C[NH+](Cc1ccco1)Cc1cccs1)N1CC=C(c2ccccc2)CC1 c1coc(c1)C[*:1] O=C(C[NH+](Cc1cccs1)[*:1])N1CC=C(CC1)c1ccccc1
O=C(C[NH+](Cc1ccco1)Cc1cccs1)N1CC=C(c2ccccc2)CC1 c1csc(c1)C[*:1] O=C(C[NH+](Cc1ccco1)[*:1])N1CC=C(CC1)c1ccccc1
O=C(C[NH+](Cc1ccco1)Cc1cccs1)N1CC=C(c2ccccc2)CC1 c1csc(c1)[*:1] O=C(C[NH+](Cc1ccco1)C[*:1])N1CC=C(CC1)c1ccccc1
O=C(C[NH+](Cc1ccco1)Cc1cccs1)N1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C[NH+](Cc1ccco1)Cc1cccs1)N1CC=C(CC1)[*:1]
CCOC(=O)COCCN1CCN(C(C)=O)CC1 CCOC(=O)C[*:1] CC(=O)N1CCN(CCO[*:1])CC1
CCOC(=O)COCCN1CCN(C(C)=O)CC1 CCOC(=O)[*:1] CC(=O)N1CCN(CCOC[*:1])CC1
Cc1cc2n(C[C@@H](O)COCc3ccccc3Cl)c(=O)c3ccccc3n2n1 Clc1ccccc1CO[*:1] Cc1cc2n(C[C@@H](O)C[*:1])c(=O)c3ccccc3n2n1
Cc1cc2n(C[C@@H](O)COCc3ccccc3Cl)c(=O)c3ccccc3n2n1 Clc1ccccc1C[*:1] Cc1cc2n(C[C@@H](O)CO[*:1])c(=O)c3ccccc3n2n1
Cc1cc2n(C[C@@H](O)COCc3ccccc3Cl)c(=O)c3ccccc3n2n1 Clc1ccccc1[*:1] Cc1cc2n(C[C@@H](O)COC[*:1])c(=O)c3ccccc3n2n1
COC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(C)c1C COC(=O)[*:1] Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[*:1])c1C
COc1ccccc1COC1CC[NH+](CC(=O)Nc2cc(C)no2)CC1 Cc1cc(on1)[*:1] COc1ccccc1COC1CC[NH+](CC1)CC(=O)N[*:1]
COc1ccccc1COC1CC[NH+](CC(=O)Nc2cc(C)no2)CC1 COc1ccccc1[*:1] Cc1cc(NC(=O)C[NH+]2CCC(CC2)OC[*:1])on1
O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCC[C@@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCC[C@H]1[*:1]
CCN(Cc1ccccn1)C(=O)c1cnc(-c2cnn(C)c2)s1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1cnc(s1)-c1cnn(C)c1
CCN(Cc1ccccn1)C(=O)c1cnc(-c2cnn(C)c2)s1 Cn1cc(cn1)[*:1] CCN(Cc1ccccn1)C(=O)c1cnc(s1)[*:1]
CCN(Cc1ccccn1)C(=O)c1cnc(-c2cnn(C)c2)s1 c1ccc(C[*:1])nc1 CCN(C(=O)c1cnc(s1)-c1cnn(C)c1)[*:1]
O=c1c2sccc2nc(SCc2nc(-c3ccc4c(c3)OCO4)no2)n1C1CC1 C1CC1[*:1] O=c1c2sccc2nc(SCc2nc(no2)-c2ccc3OCOc3c2)n1[*:1]
O=c1c2sccc2nc(SCc2nc(-c3ccc4c(c3)OCO4)no2)n1C1CC1 c1cc2OCOc2cc1[*:1] O=c1c2sccc2nc(SCc2nc(no2)[*:1])n1C1CC1
COc1cc(C)c(C(=O)N[C@@H](C#N)c2ccc(F)cc2F)cc1OC Fc1ccc(c(F)c1)[*:1] COc1cc(C)c(cc1OC)C(=O)N[C@@H](C#N)[*:1]
Cc1ccc(C)c([C@H](C)NC(=O)c2sccc2C)c1 Cc1ccsc1[*:1] Cc1ccc(C)c(c1)[C@H](C)NC(=O)[*:1]
COc1ccccc1/N=C1\S[C@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N1C Cc1ccc(c(C)c1)[*:1] COc1ccccc1/N=C1\S[C@@H](CC(=O)N1C)C(=O)N[*:1]
COc1ccccc1/N=C1\S[C@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N1C COc1ccccc1[*:1] Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=N[*:1])S2)c(C)c1
COc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c(F)c1 NS(=O)(=O)[*:1] COc1ccc(C(=O)Nc2cccc(c2)[*:1])c(F)c1
COCC[NH2+]CCc1nnc([C@@H]2CCO[C@@H]2C)s1 C[C@H]1OCC[C@H]1[*:1] COCC[NH2+]CCc1nnc(s1)[*:1]
COCC[NH2+]CCc1nnc([C@@H]2CCO[C@@H]2C)s1 COCC[*:1] C[C@H]1OCC[C@H]1c1nnc(CC[NH2+][*:1])s1
COCC[NH2+]CCc1nnc([C@@H]2CCO[C@@H]2C)s1 COC[*:1] C[C@H]1OCC[C@H]1c1nnc(CC[NH2+]C[*:1])s1
CCOC(=O)[C@@H]([NH3+])Cc1cnn(C)c1C CCOC(=O)[*:1] Cc1c(cnn1C)C[C@H]([NH3+])[*:1]
Cc1ncsc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 Clc1cccc(c1Cl)[*:1] Cc1ncsc1C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ncsc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 Cc1ncsc1[*:1] O=C(c1cccc(Cl)c1Cl)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)C[NH+]1CCN(CC1)[*:1]
COC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 COC(=O)[*:1] Cc1ccc2=[NH+][C@@H](C(NC(=O)C[NH+]3CCN(CC3)c3ccccc3)=c2c1)[*:1]
CC(C)(C)C(=O)NCC(=O)Nc1cc(Cl)ccc1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)C(=O)NCC(=O)Nc1cc(Cl)ccc1[*:1]
CC(C)(C)C(=O)NCC(=O)Nc1cc(Cl)ccc1C(=O)[O-] CC(C)(C)C(=O)N[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1C(=O)[O-]
CC(C)(C)C(=O)NCC(=O)Nc1cc(Cl)ccc1C(=O)[O-] CC(C)(C)[*:1] O=C(CNC(=O)[*:1])Nc1cc(Cl)ccc1C(=O)[O-]
Cc1ccc(-n2ccn3c(SCC(=O)Nc4cccc(F)c4)nnc3c2=O)cc1C O=C(Nc1cccc(F)c1)[*:1] Cc1ccc(cc1C)-n1ccn2c(nnc2c1=O)SC[*:1]
Cc1ccc(-n2ccn3c(SCC(=O)Nc4cccc(F)c4)nnc3c2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(CSc1nnc2c(=O)n(ccn12)[*:1])Nc1cccc(F)c1
Cc1ccc(-n2ccn3c(SCC(=O)Nc4cccc(F)c4)nnc3c2=O)cc1C Fc1cccc(c1)[*:1] Cc1ccc(cc1C)-n1ccn2c(nnc2c1=O)SCC(=O)N[*:1]
Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1 Cc1cccc(c1)[*:1] O=C1C[C@H](C(=O)N[*:1])c2c(nc([nH]c2=O)N2CCOCC2)N1
Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
CN(C)C(=O)CCC(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 CN(C)C(=O)[*:1] O=C(CC[*:1])N1CCC[C@H](CCc2c(F)cccc2F)C1
CN(C)C(=O)CCC(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] CN(C)C(=O)CCC(=O)N1CCC[C@H](CC[*:1])C1
CN(C)C(=O)CCC(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 CN(C)C(=O)C[*:1] O=C(C[*:1])N1CCC[C@H](CCc2c(F)cccc2F)C1
CN(C)C(=O)CCC(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 CN(C)C(=O)CC[*:1] O=C(N1CCC[C@H](CCc2c(F)cccc2F)C1)[*:1]
CCOc1c(Br)cc(Cl)cc1NC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] CCOc1c(Br)cc(Cl)cc1NC(=O)C[*:1]
CCOc1c(Br)cc(Cl)cc1NC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] CCOc1c(Br)cc(Cl)cc1NC(=O)[*:1]
CCOc1c(Br)cc(Cl)cc1NC(=O)Cc1ccc[nH]1 CCO[*:1] O=C(Cc1ccc[nH]1)Nc1cc(Cl)cc(Br)c1[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CCCC(C)(C)C)C1 CC(C)(C)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)CCC[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CCCC(C)(C)C)C1 CC(C)(C)C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)CC[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CCCC(C)(C)C)C1 CC(C)(C)CC[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)C[*:1]
C[C@@]1(CO)CCC[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@]1(CO)CCC[C@@H]1NC(=O)Cc1ccccc1[*:1]
CNC(=O)c1cccc(CCNC(=O)N2C[C@H]3CCCC[C@H]3C2)c1 CNC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])N1C[C@H]2CCCC[C@H]2C1
C/C=C/C(=O)NCCc1csc(-n2cccn2)n1 C/C=C/C(=O)N[*:1] c1cnn(c1)-c1nc(cs1)CC[*:1]
C/C=C/C(=O)NCCc1csc(-n2cccn2)n1 CC=C[*:1] O=C(NCCc1csc(n1)-n1cccn1)[*:1]
C/C=C/C(=O)NCCc1csc(-n2cccn2)n1 c1cnn(c1)[*:1] C/C=C/C(=O)NCCc1csc(n1)[*:1]
O=c1[nH]c2ccccc2n1CCCOc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=c1[nH]c2ccccc2n1CCCOc1ccc(cc1)[*:1]
COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 FC(F)(F)c1cccc(c1)[*:1] COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C(=O)[C@@H]12)[*:1]
COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 FC(F)(F)[*:1] COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C(=O)[C@@H]12)c1cccc(c1)[*:1]
COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 COC(OC)[*:1] O=C1[C@H]2[C@H](C(=O)N1c1cccc(c1)C(F)(F)F)C1c3ccccc3C2(c2ccccc21)[*:1]
CCC(=O)N[C@H]1CCCN(C(=O)C2(c3cccs3)CCCCC2)C1 CCC(=O)N[*:1] O=C(N1CCC[C@@H](C1)[*:1])C1(CCCCC1)c1cccs1
CCC(=O)N[C@H]1CCCN(C(=O)C2(c3cccs3)CCCCC2)C1 c1csc(c1)[*:1] CCC(=O)N[C@H]1CCCN(C1)C(=O)C1(CCCCC1)[*:1]
Cc1ccc(C[NH2+]CCSc2ccccc2)cn1 c1ccc(cc1)[*:1] Cc1ccc(cn1)C[NH2+]CCS[*:1]
CCN(CC(F)(F)F)[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 FC(F)(F)[*:1] CCN(C[*:1])[C@@H]1CCC[C@@]([NH3+])(C1)C(=O)[O-]
CCN(CC(F)(F)F)[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 O=C([O-])[*:1] CCN(CC(F)(F)F)[C@@H]1CCC[C@]([NH3+])(C1)[*:1]
CCN(CC(F)(F)F)[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 FC(F)(F)C[*:1] CCN([C@@H]1CCC[C@@]([NH3+])(C1)C(=O)[O-])[*:1]
C[C@H](Nc1nc(CC(=O)[O-])cs1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1nc(cs1)CC(=O)[O-])[*:1]
C[C@H](Nc1nc(CC(=O)[O-])cs1)c1ccccc1 O=C([O-])C[*:1] C[C@H](Nc1nc(cs1)[*:1])c1ccccc1
C[C@H](Nc1nc(CC(=O)[O-])cs1)c1ccccc1 O=C([O-])[*:1] C[C@H](Nc1nc(cs1)C[*:1])c1ccccc1
CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1ccccc1F Fc1ccccc1[*:1] CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)N[*:1]
N#Cc1cccnc1N1CCN(C(=O)CCSc2ccccc2)CC1 c1ccc(cc1)[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)CCS[*:1]
N#Cc1cccnc1N1CCN(C(=O)CCSc2ccccc2)CC1 c1ccc(cc1)SC[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)C[*:1]
N#Cc1cccnc1N1CCN(C(=O)CCSc2ccccc2)CC1 c1ccc(cc1)S[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)CC[*:1]
N#Cc1cccnc1N1CCN(C(=O)CCSc2ccccc2)CC1 N#Cc1cccnc1[*:1] O=C(CCSc1ccccc1)N1CCN(CC1)[*:1]
CN(C)c1nc(NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)nc(Nc2ccc(F)cc2)n1 O=[N+]([O-])c1cc(ccc1Cl)[*:1] CN(C)c1nc(nc(n1)Nc1ccc(F)cc1)NN=C[*:1]
CN(C)c1nc(NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)nc(Nc2ccc(F)cc2)n1 O=[N+]([O-])[*:1] CN(C)c1nc(nc(n1)Nc1ccc(F)cc1)NN=Cc1ccc(Cl)c(c1)[*:1]
CN(C)c1nc(NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)nc(Nc2ccc(F)cc2)n1 Fc1ccc(cc1)N[*:1] CN(C)c1nc(nc(n1)[*:1])NN=Cc1ccc(Cl)c(c1)[N+](=O)[O-]
CN(C)c1nc(NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)nc(Nc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CN(C)c1nc(nc(n1)N[*:1])NN=Cc1ccc(Cl)c(c1)[N+](=O)[O-]
CN(C)c1nc(NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)nc(Nc2ccc(F)cc2)n1 CN(C)[*:1] O=[N+]([O-])c1cc(C=NNc2nc(nc(n2)[*:1])Nc2ccc(F)cc2)ccc1Cl
C[C@@H](NC(=O)C(=O)NCc1ccsc1)c1ccccc1 c1cc(cs1)[*:1] C[C@@H](NC(=O)C(=O)NC[*:1])c1ccccc1
C[C@@H](NC(=O)C(=O)NCc1ccsc1)c1ccccc1 c1cc(cs1)C[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1ccccc1
C[C@@H](NC(=O)C(=O)NCc1ccsc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(=O)NCc1ccsc1)[*:1]
C#CC(C)(C)OC[C@@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 C#CC(C)(C)[*:1] C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)CO[*:1])C1
C#CC(C)(C)OC[C@@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 C#CC(C)(C)O[*:1] C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)C[*:1])C1
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 C=CC[*:1] C=CCN(C(=O)c1ccc(cc1)NC(=O)N1C[C@H]2CCCC[C@@H]2C1)[*:1]
C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 C=CCN(CC=C)C(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1C[C@H]2CCCC[C@@H]2C1
CC(C)c1ocnc1C[S@@](=O)[C@@H](C)c1ccc(F)c(F)c1 CC(C)[*:1] C[C@@H](c1ccc(F)c(F)c1)[S@](=O)Cc1ncoc1[*:1]
O=C(Cc1csc(-c2cccc(F)c2)n1)NC[C@]1(O)CCSC1 Fc1cccc(c1)[*:1] O=C(Cc1csc(n1)[*:1])NC[C@]1(O)CCSC1
CC(=O)[C@@H](CCOC(F)(F)F)C(C)C CC(C)[*:1] CC(=O)[C@@H](CCOC(F)(F)F)[*:1]
CC(=O)[C@@H](CCOC(F)(F)F)C(C)C CC(=O)[*:1] CC(C)[C@H](CCOC(F)(F)F)[*:1]
CC(=O)[C@@H](CCOC(F)(F)F)C(C)C FC(F)(F)[*:1] CC(=O)[C@@H](CCO[*:1])C(C)C
Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccc(Br)cc1Cl
Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1S(=O)(=O)N1CCCCC1 Clc1cc(Br)ccc1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N[*:1]
COC(=O)c1cc(C)ccc1OCc1noc(C2CC2)n1 COC(=O)[*:1] Cc1ccc(OCc2noc(n2)C2CC2)c(c1)[*:1]
COC(=O)c1cc(C)ccc1OCc1noc(C2CC2)n1 C1CC1[*:1] COC(=O)c1cc(C)ccc1OCc1noc(n1)[*:1]
C=CCCC(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl C=CCC[*:1] C[C@@H](NC(=O)[*:1])[C@H](O)c1c(F)cccc1Cl
C=CCCC(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl C=CC[*:1] C[C@@H](NC(=O)C[*:1])[C@H](O)c1c(F)cccc1Cl
O=C(Cn1c(C2CCCCC2)nc2ccccc21)NCc1ccon1 c1cc(no1)[*:1] O=C(Cn1c(nc2ccccc21)C1CCCCC1)NC[*:1]
O=C(Cn1c(C2CCCCC2)nc2ccccc21)NCc1ccon1 C1CCC(CC1)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])NCc1ccon1
O=C(Cn1c(C2CCCCC2)nc2ccccc21)NCc1ccon1 c1cc(C[*:1])no1 O=C(Cn1c(nc2ccccc21)C1CCCCC1)N[*:1]
CCCN[C@@H](c1cnccn1)[C@](C)(CC)[NH+](C)C c1cnc(cn1)[*:1] CCCN[C@@H]([C@](C)(CC)[NH+](C)C)[*:1]
CCCN[C@@H](c1cnccn1)[C@](C)(CC)[NH+](C)C CCC[*:1] CC[C@@](C)([C@@H](N[*:1])c1cnccn1)[NH+](C)C
CCCN[C@@H](c1cnccn1)[C@](C)(CC)[NH+](C)C CCCN[*:1] CC[C@@](C)([C@H](c1cnccn1)[*:1])[NH+](C)C
C[C@@H](SCc1nc2c(oc3ccccc32)c(=O)[nH]1)c1ccccc1F Fc1ccccc1[*:1] C[C@@H](SCc1nc2c(oc3ccccc32)c(=O)[nH]1)[*:1]
O=C(NC1CCOCC1)C1(c2cccc(C(F)(F)F)c2)CCOCC1 FC(F)(F)[*:1] O=C(NC1CCOCC1)C1(CCOCC1)c1cccc(c1)[*:1]
O=C(NC1CCOCC1)C1(c2cccc(C(F)(F)F)c2)CCOCC1 C1CC(CCO1)[*:1] O=C(N[*:1])C1(CCOCC1)c1cccc(c1)C(F)(F)F
C[C@H]1CC[C@@H](C2(C(=O)[O-])CCCCC2)C[C@@H]1C O=C([O-])[*:1] C[C@H]1CC[C@H](C[C@@H]1C)C1(CCCCC1)[*:1]
CN(C[C@@H]1CCCO1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 C1CO[C@@H](C1)C[*:1] CN(C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1)[*:1]
CN(C[C@@H]1CCCO1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 Clc1ccc(cc1)[*:1] CN(C[C@@H]1CCCO1)C(=O)N[C@H](c1ccsc1)[*:1]
CN(C[C@@H]1CCCO1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 C1CO[C@@H](C1)[*:1] CN(C[*:1])C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1
CN(C[C@@H]1CCCO1)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 c1cc(cs1)[*:1] CN(C[C@@H]1CCCO1)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CC(C)(C)n1cc(NC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)[*:1])N1CCC(CC1)[C@H](O)C(F)(F)F
CC(C)(C)n1cc(NC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cn1 FC(F)(F)[*:1] CC(C)(C)n1cc(cn1)NC(=O)N1CCC(CC1)[C@H](O)[*:1]
Cc1ccc(-c2n[n-]c(NC(=O)c3cnccn3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(n[n-]1)[*:1])c1cnccn1
Cc1ccc(-c2n[n-]c(NC(=O)c3cnccn3)n2)cc1 c1cnc(cn1)[*:1] Cc1ccc(cc1)-c1n[n-]c(n1)NC(=O)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CC[C@H](C[NH3+])O1 C1C[C@H](CO1)[*:1] CCN(C[*:1])C(=O)[C@H]1CC[C@H](C[NH3+])O1
CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CC[C@H](C[NH3+])O1 C1C[C@H](CO1)C[*:1] CCN(C(=O)[C@H]1CC[C@H](C[NH3+])O1)[*:1]
CCC1CCC(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 CCC1CCC(CC1)[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)N[*:1]
C[C@@H]1COCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1COCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)[*:1]
Cc1csc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)n1 Cc1csc(n1)[*:1] O=C(CS[*:1])NCC1(CCCCC1)N1CCOCC1
Cc1csc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)n1 Cc1csc(n1)S[*:1] O=C(C[*:1])NCC1(CCCCC1)N1CCOCC1
Cc1csc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)n1 C1CN(CCO1)[*:1] Cc1csc(n1)SCC(=O)NCC1(CCCCC1)[*:1]
Cc1csc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)n1 Cc1csc(n1)SC[*:1] O=C(NCC1(CCCCC1)N1CCOCC1)[*:1]
O=C1C(=O)N(C[NH+](Cc2ccc(F)cc2)C2CC2)c2ccccc21 Fc1ccc(cc1)[*:1] O=C1C(=O)N(C[NH+](C[*:1])C2CC2)c2ccccc21
O=C1C(=O)N(C[NH+](Cc2ccc(F)cc2)C2CC2)c2ccccc21 Fc1ccc(cc1)C[*:1] O=C1C(=O)N(C[NH+](C2CC2)[*:1])c2ccccc21
Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)CCCO C[C@H](CCCO)[*:1] Cc1sc(nc1C(=O)N[*:1])-c1ccco1
Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)CCCO OCCC[*:1] Cc1sc(nc1C(=O)N[C@H](C)[*:1])-c1ccco1
Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)CCCO OCC[*:1] Cc1sc(nc1C(=O)N[C@H](C)C[*:1])-c1ccco1
Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)CCCO c1coc(c1)[*:1] Cc1sc(nc1C(=O)N[C@H](C)CCCO)[*:1]
COC(=O)c1ccc(Cl)cc1NC(=O)/C=C/c1ccco1 c1coc(c1)[*:1] COC(=O)c1ccc(Cl)cc1NC(=O)C=C[*:1]
COC(=O)c1ccc(Cl)cc1NC(=O)/C=C/c1ccco1 C(=C[*:1])c1ccco1 COC(=O)c1ccc(Cl)cc1NC(=O)[*:1]
COC(=O)c1ccc(Cl)cc1NC(=O)/C=C/c1ccco1 COC(=O)[*:1] O=C(/C=C/c1ccco1)Nc1cc(Cl)ccc1[*:1]
CCC(CC)CN(CC)c1ccc2nnc(C)n2n1 CCC(CC)[*:1] CCN(C[*:1])c1ccc2nnc(C)n2n1
CCC(CC)CN(CC)c1ccc2nnc(C)n2n1 CCC(CC)C[*:1] CCN(c1ccc2nnc(C)n2n1)[*:1]
C=CCNC(=O)Cn1c(C2CCCCC2)nc2ccccc21 C1CCC(CC1)[*:1] C=CCNC(=O)Cn1c(nc2ccccc21)[*:1]
C=CCNC(=O)Cn1c(C2CCCCC2)nc2ccccc21 C=CCNC(=O)[*:1] c1ccc2c(c1)nc(C1CCCCC1)n2C[*:1]
C=CCNC(=O)Cn1c(C2CCCCC2)nc2ccccc21 C=CC[*:1] O=C(Cn1c(nc2ccccc21)C1CCCCC1)N[*:1]
C=CCNC(=O)Cn1c(C2CCCCC2)nc2ccccc21 C=CCNC(=O)C[*:1] c1ccc2c(c1)nc(C1CCCCC1)n2[*:1]
O=C(c1cccc(Oc2ccccc2)c1)N1CCC(Oc2nc3c(F)cc(F)cc3s2)CC1 c1ccc(cc1)O[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)Oc1nc2c(F)cc(F)cc2s1
O=C(c1cccc(Oc2ccccc2)c1)N1CCC(Oc2nc3c(F)cc(F)cc3s2)CC1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)O[*:1])N1CCC(CC1)Oc1nc2c(F)cc(F)cc2s1
Cc1ccc(C)c(N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] Cc1ccc(C)c(c1)N[C@@H](C)C(=O)N(C)C[*:1]
O=C(CCNC(=O)c1ccc(C#CCO)cc1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NCC[*:1])c1ccc(C#CCO)cc1
O=C(CCNC(=O)c1ccc(C#CCO)cc1)NC1CC1 C1CC1[*:1] O=C(CCNC(=O)c1ccc(C#CCO)cc1)N[*:1]
O=C(CCNC(=O)c1ccc(C#CCO)cc1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(NC[*:1])c1ccc(C#CCO)cc1
O=C(CCNC(=O)c1ccc(C#CCO)cc1)NC1CC1 OCC#C[*:1] O=C(CCNC(=O)c1ccc(cc1)[*:1])NC1CC1
C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)N[*:1]
C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccc2ccccc2c1 c1coc(c1)C[*:1] C[C@@H](OC(=O)[C@H]1CC(=O)N(C1)[*:1])C(=O)Nc1ccc2ccccc2c1
C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccc2ccccc2c1 c1coc(c1)[*:1] C[C@@H](OC(=O)[C@H]1CC(=O)N(C1)C[*:1])C(=O)Nc1ccc2ccccc2c1
N#CCC[C@@H]([NH2+][C@H]1CCc2sc(Cl)cc21)c1ccccc1 c1ccc(cc1)[*:1] N#CCC[C@@H]([NH2+][C@H]1CCc2sc(Cl)cc21)[*:1]
N#CCC[C@@H]([NH2+][C@H]1CCc2sc(Cl)cc21)c1ccccc1 N#CCC[*:1] Clc1cc2c(CC[C@@H]2[NH2+][C@@H](c2ccccc2)[*:1])s1
N#CCC[C@@H]([NH2+][C@H]1CCc2sc(Cl)cc21)c1ccccc1 N#CC[*:1] Clc1cc2c(CC[C@@H]2[NH2+][C@H](C[*:1])c2ccccc2)s1
CC[C@H]([NH3+])[C@H](Sc1ccncc1)c1ccc(Br)cc1 c1cc(ccn1)[*:1] CC[C@H]([NH3+])[C@H](S[*:1])c1ccc(Br)cc1
O=C(c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCc2ccccc2C1 Fc1ccc(cc1)[*:1] O=C(c1cccc(c1)S(=O)(=O)N1CCN(CC1)[*:1])N1CCc2ccccc2C1
CC(C)[NH+](CC(N)=O)CC(=O)N(C)Cc1ccccc1F CC(C)[*:1] CN(Cc1ccccc1F)C(=O)C[NH+](CC(N)=O)[*:1]
CC(C)[NH+](CC(N)=O)CC(=O)N(C)Cc1ccccc1F Fc1ccccc1[*:1] CC(C)[NH+](CC(N)=O)CC(=O)N(C)C[*:1]
CC(C)[NH+](CC(N)=O)CC(=O)N(C)Cc1ccccc1F NC(=O)[*:1] CC(C)[NH+](CC(=O)N(C)Cc1ccccc1F)C[*:1]
CC(C)[NH+](CC(N)=O)CC(=O)N(C)Cc1ccccc1F NC(=O)C[*:1] CC(C)[NH+](CC(=O)N(C)Cc1ccccc1F)[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 CC[C@@H](C)[*:1] O=C(COc1ccc(cc1)S(=O)(=O)N[*:1])N1CCOCC1
CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 CC[C@@H](C)NS(=O)(=O)[*:1] O=C(COc1ccc(cc1)[*:1])N1CCOCC1
CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] CC[C@@H](C)NS(=O)(=O)c1ccc(cc1)OC[*:1]
O=C(CCCCO)NC[C@@H]1CCC(=O)N1 OCC[*:1] O=C(CC[*:1])NC[C@@H]1CCC(=O)N1
O=C(CCCCO)NC[C@@H]1CCC(=O)N1 OCCC[*:1] O=C(C[*:1])NC[C@@H]1CCC(=O)N1
O=C(CCCCO)NC[C@@H]1CCC(=O)N1 OCCCC[*:1] O=C1CC[C@@H](CNC(=O)[*:1])N1
COc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)[C@@H](C)[NH+]4CCCC4)C3)cc2)cc1 NC(=O)[*:1] COc1ccc(cc1)-c1ccc(cc1)C[C@]1(CCCN(C1)C(=O)[C@@H](C)[NH+]1CCCC1)[*:1]
COc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)[C@@H](C)[NH+]4CCCC4)C3)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCC[C@](Cc2ccc(cc2)[*:1])(C1)C(N)=O)[NH+]1CCCC1
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cccc2c1OCCO2 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)Nc1cccc2OCCOc12)[*:1]
O=C(C=C1CCSCC1)NCC1([C@H](O)c2ccccc2)CC1 C(=C1CCSCC1)[*:1] O=C(NCC1(CC1)[C@H](O)c1ccccc1)[*:1]
O=C(C=C1CCSCC1)NCC1([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C=C1CCSCC1)NCC1(CC1)[C@H](O)[*:1]
CCOc1ccc(NC(=S)NNC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CCOc1ccc(cc1)NC(=S)NNC(=O)[*:1]
CCOc1ccc(NC(=S)NNC(=O)c2ccco2)cc1 CCO[*:1] O=C(NNC(=S)Nc1ccc(cc1)[*:1])c1ccco1
COC(=O)c1ccccc1NCC(=O)NCc1ccc2c(c1)OCO2 COC(=O)[*:1] O=C(CNc1ccccc1[*:1])NCc1ccc2OCOc2c1
CN(CC(=O)N1CCOCC1)C(=O)/C=C/c1cccc(OC2CCCC2)c1 C1CCC(C1)[*:1] CN(CC(=O)N1CCOCC1)C(=O)/C=C/c1cccc(c1)O[*:1]
CN(CC(=O)N1CCOCC1)C(=O)/C=C/c1cccc(OC2CCCC2)c1 O=C(C[*:1])N1CCOCC1 CN(C(=O)/C=C/c1cccc(c1)OC1CCCC1)[*:1]
CN(CC(=O)N1CCOCC1)C(=O)/C=C/c1cccc(OC2CCCC2)c1 O=C(N1CCOCC1)[*:1] CN(C[*:1])C(=O)/C=C/c1cccc(c1)OC1CCCC1
CN(CC(=O)N1CCOCC1)C(=O)/C=C/c1cccc(OC2CCCC2)c1 C1CCC(C1)O[*:1] CN(CC(=O)N1CCOCC1)C(=O)/C=C/c1cccc(c1)[*:1]
COc1ccc(C)cc1NC(=O)N(CC[NH+](C)C)Cc1cccnc1 c1cncc(c1)[*:1] COc1ccc(C)cc1NC(=O)N(CC[NH+](C)C)C[*:1]
COc1ccc(C)cc1NC(=O)N(CC[NH+](C)C)Cc1cccnc1 c1cncc(c1)C[*:1] COc1ccc(C)cc1NC(=O)N(CC[NH+](C)C)[*:1]
CN[C@@]1(C#N)CCC[C@@H](Sc2nnnn2C2CCCC2)C1 C1CCC(C1)[*:1] CN[C@@]1(C#N)CCC[C@H](C1)Sc1nnnn1[*:1]
COc1ccc(CN(C)CN2CCCCC2=O)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CN(C)CN1CCCCC1=O
COc1ccc(CN(C)CN2CCCCC2=O)cc1OC(F)F O=C1CCCCN1[*:1] COc1ccc(cc1OC(F)F)CN(C)C[*:1]
COc1ccc(CN(C)CN2CCCCC2=O)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CN(C)CN1CCCCC1=O
COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)C=C[*:1]
CC(C)(C)c1ccc(NCc2cscn2)cc1 CC(C)(C)[*:1] c1nc(cs1)CNc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(NCc2cscn2)cc1 c1nc(cs1)[*:1] CC(C)(C)c1ccc(cc1)NC[*:1]
CN(CC(=O)Nc1cccc(-c2nc3ccccc3n2C)c1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(CC(=O)Nc1cccc(c1)-c1nc2ccccc2n1C)S(=O)(=O)[*:1]
CN(CC(=O)Nc1cccc(-c2nc3ccccc3n2C)c1)S(=O)(=O)c1ccc(Cl)cc1 Cn1c(nc2ccccc21)[*:1] CN(CC(=O)Nc1cccc(c1)[*:1])S(=O)(=O)c1ccc(Cl)cc1
C[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1O O=[N+]([O-])[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)CCNc1ccccc1[*:1]
COCCOCC(=O)Nc1cc(C)n2nc(C(F)(F)F)nc2n1 FC(F)(F)[*:1] COCCOCC(=O)Nc1cc(C)n2nc(nc2n1)[*:1]
COCCOCC(=O)Nc1cc(C)n2nc(C(F)(F)F)nc2n1 COCCOC[*:1] Cc1cc(nc2nc(nn12)C(F)(F)F)NC(=O)[*:1]
COCCOCC(=O)Nc1cc(C)n2nc(C(F)(F)F)nc2n1 COCC[*:1] Cc1cc(nc2nc(nn12)C(F)(F)F)NC(=O)CO[*:1]
COCCOCC(=O)Nc1cc(C)n2nc(C(F)(F)F)nc2n1 COCCO[*:1] Cc1cc(nc2nc(nn12)C(F)(F)F)NC(=O)C[*:1]
COCCOCC(=O)Nc1cc(C)n2nc(C(F)(F)F)nc2n1 COC[*:1] Cc1cc(nc2nc(nn12)C(F)(F)F)NC(=O)COC[*:1]
COc1c(NC(=O)C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)c(C)nn1C CC(C)c1cnc(o1)[*:1] COc1c(NC(=O)C(=O)Nc2ccc(cc2)[*:1])c(C)nn1C
COc1c(NC(=O)C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)c(C)nn1C CC(C)[*:1] COc1c(NC(=O)C(=O)Nc2ccc(cc2)-c2ncc(o2)[*:1])c(C)nn1C
COc1c(NC(=O)C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)c(C)nn1C COc1c(c(C)nn1C)[*:1] CC(C)c1cnc(o1)-c1ccc(cc1)NC(=O)C(=O)N[*:1]
COc1ccc(C)cc1CN(C)C(=O)NCCc1ccccc1C Cc1ccccc1[*:1] COc1ccc(C)cc1CN(C)C(=O)NCC[*:1]
COc1ccc(C)cc1CN(C)C(=O)NCCc1ccccc1C Cc1ccccc1C[*:1] COc1ccc(C)cc1CN(C)C(=O)NC[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/C(=O)[O-])c1 O=C([O-])[*:1] CCCC(=O)Nc1ccc(Cl)c(c1)NC(=O)C=C[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] CCCC(=O)Nc1ccc(Cl)c(c1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/C(=O)[O-])c1 CCCC(=O)N[*:1] O=C([O-])/C=C/C(=O)Nc1cc(ccc1Cl)[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/C(=O)[O-])c1 CCC[*:1] O=C([O-])/C=C/C(=O)Nc1cc(ccc1Cl)NC(=O)[*:1]
Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc2c1C Cc1ccc2sc(nc2c1C)[*:1] O=C(NN[*:1])c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1 c1coc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)C1CCOCC1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1 C1CC(CCO1)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(N[C@H]1CCc2ccccc21)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=C(N[C@H]1CCc2ccccc21)N1CCN(CC1)[*:1]
COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] COc1ccc(cc1OCC(=O)N[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cccnc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1OCC(=O)Nc1cccnc1Cl)[*:1]
COC[C@@H](C)Nc1ncnc(OC)c1[N+](=O)[O-] COC[C@@H](C)[*:1] COc1ncnc(N[*:1])c1[N+](=O)[O-]
COC[C@@H](C)Nc1ncnc(OC)c1[N+](=O)[O-] COC[*:1] COc1ncnc(N[C@H](C)[*:1])c1[N+](=O)[O-]
COC[C@@H](C)Nc1ncnc(OC)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COC[C@@H](C)Nc1ncnc(OC)c1[*:1]
CCC[NH2+][C@@H](Cc1ccc(C)c(C)c1)[C@H]1CN(C)CCO1 CCC[*:1] Cc1ccc(cc1C)C[C@H]([NH2+][*:1])[C@H]1CN(C)CCO1
COc1ccc(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1cc(nc(n1)N1CCCCCC1)OCC(=O)N[*:1]
COc1ccc(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)cc1Cl C1CCCN(CC1)[*:1] COc1ccc(cc1Cl)NC(=O)COc1cc(C)nc(n1)[*:1]
COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)c1 COc1ccc(OC)c(c1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@@H]2[*:1])c1nc[nH]n1
C[NH2+]CCCc1n[nH]c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)c1C#N Fc1cccc(c1)[*:1] C[NH2+]CCCc1n[nH]c(NC(=O)[C@H]2C[C@H]2[*:1])c1C#N
CCCc1ccc2c(c1)[C@H]([NH2+]CC)CC2(C)C CCC[*:1] CC[NH2+][C@@H]1CC(C)(C)c2ccc(cc21)[*:1]
Cc1ncccc1NC(=O)C(=O)NCCc1c[nH]c2ccc(F)cc12 Cc1ncccc1[*:1] O=C(NCCc1c[nH]c2ccc(F)cc12)C(=O)N[*:1]
COC(=O)c1ccc(CN(C)Cc2ccc3c(c2)OCCO3)cc1F COC(=O)[*:1] CN(Cc1ccc(c(F)c1)[*:1])Cc1ccc2OCCOc2c1
Cc1ccccc1[C@@H](O)CN[C@H](C)c1nc2ccccc2n1C Cc1ccccc1[*:1] C[C@@H](NC[C@H](O)[*:1])c1nc2ccccc2n1C
C[C@H]1CCC[C@H](C)N1C(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 c1csc(c1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)c1cc2nc(cc(n2n1)C(F)(F)Cl)[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 FC(F)(Cl)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)c1cc2nc(cc(n2n1)[*:1])-c1cccs1
CCC[C@H]1C=CCN1C(=O)c1coc(COc2cccc3cnccc23)n1 CCC[*:1] O=C(c1coc(COc2cccc3cnccc23)n1)N1CC=C[C@@H]1[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)[*:1]
COc1ccc(NC2=NCC(=O)N2Cc2cccs2)cc1 c1csc(c1)C[*:1] COc1ccc(cc1)NC1=NCC(=O)N1[*:1]
COc1ccc(NC2=NCC(=O)N2Cc2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)NC1=NCC(=O)N1C[*:1]
CNc1nc(Cl)nc(C(=O)OC)c1Cl COC(=O)[*:1] CNc1nc(Cl)nc(c1Cl)[*:1]
COc1cccc([C@H](O)CNC(=O)NC[C@@H](C)c2ccsc2)c1 C[C@@H](c1ccsc1)[*:1] COc1cccc(c1)[C@H](O)CNC(=O)NC[*:1]
COc1cccc([C@H](O)CNC(=O)NC[C@@H](C)c2ccsc2)c1 c1cc(cs1)[*:1] COc1cccc(c1)[C@H](O)CNC(=O)NC[C@@H](C)[*:1]
C[C@@H](NC(=O)/C(C#N)=C\c1ccco1)c1ccc(Br)cc1 c1coc(c1)[*:1] C[C@@H](NC(=O)C(C#N)=C[*:1])c1ccc(Br)cc1
C[C@@H](NC(=O)/C(C#N)=C\c1ccco1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)/C(C#N)=C\c1ccco1)[*:1]
CN1C(=O)c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2C1=O Clc1cc(c(Cl)s1)[*:1] CN1C(=O)c2ccc(cc2C1=O)NC(=O)[*:1]
O=S(=O)(NC[C@@H](Sc1ncn[nH]1)c1ccccc1)c1ccccc1 c1n[nH]c(n1)[*:1] O=S(=O)(NC[C@@H](S[*:1])c1ccccc1)c1ccccc1
O=S(=O)(NC[C@@H](Sc1ncn[nH]1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](Sc1ncn[nH]1)c1ccccc1)[*:1]
O=S(=O)(NC[C@@H](Sc1ncn[nH]1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](Sc1ncn[nH]1)[*:1])c1ccccc1
COc1ccc(CCC(=O)Nc2ncccn2)cc1Br c1cnc(nc1)[*:1] COc1ccc(cc1Br)CCC(=O)N[*:1]
CC(C)CNC(=O)[C@H](C)Sc1nc(-c2cccs2)nc2ccccc12 CC(C)CNC(=O)[*:1] C[C@H](Sc1nc(nc2ccccc12)-c1cccs1)[*:1]
CC(C)CNC(=O)[C@H](C)Sc1nc(-c2cccs2)nc2ccccc12 CC(C)C[*:1] C[C@H](Sc1nc(nc2ccccc12)-c1cccs1)C(=O)N[*:1]
CC(C)CNC(=O)[C@H](C)Sc1nc(-c2cccs2)nc2ccccc12 CC(C)[*:1] C[C@H](Sc1nc(nc2ccccc12)-c1cccs1)C(=O)NC[*:1]
CC(C)CNC(=O)[C@H](C)Sc1nc(-c2cccs2)nc2ccccc12 c1csc(c1)[*:1] CC(C)CNC(=O)[C@H](C)Sc1nc(nc2ccccc12)[*:1]
Cc1ccc([C@H](C)N[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@H](C)N[C@@H](C)CC(F)(F)F
Cc1ccc([C@H](C)N[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)N[C@@H](C)C[*:1]
Cc1ccc([C@H](C)N[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)C[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)N[C@@H](C)[*:1]
COc1cccc(C(=O)Oc2ccc(CN3CCOCC3)c3cccnc23)c1 C1CN(CCO1)C[*:1] COc1cccc(c1)C(=O)Oc1ccc(c2cccnc12)[*:1]
COc1cccc(C(=O)Oc2ccc(CN3CCOCC3)c3cccnc23)c1 C1CN(CCO1)[*:1] COc1cccc(c1)C(=O)Oc1ccc(C[*:1])c2cccnc12
COc1cccc(C(=O)Oc2ccc(CN3CCOCC3)c3cccnc23)c1 COc1cccc(c1)[*:1] O=C(Oc1ccc(CN2CCOCC2)c2cccnc12)[*:1]
CS(=O)(=O)N(CC(=O)NC1CC1)c1ccccc1 C1CC1[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccccc1
CS(=O)(=O)N(CC(=O)NC1CC1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)N(CC(=O)NC1CC1)[*:1]
CS(=O)(=O)N(CC(=O)NC1CC1)c1ccccc1 O=C(NC1CC1)[*:1] CS(=O)(=O)N(C[*:1])c1ccccc1
O=C(NCCc1nc(C(F)(F)F)cs1)Nc1ccccc1 FC(F)(F)[*:1] O=C(NCCc1nc(cs1)[*:1])Nc1ccccc1
O=C(NCCc1nc(C(F)(F)F)cs1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1nc(cs1)C(F)(F)F)N[*:1]
CSCCCNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 CSC[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccc2OCOc2c1
CSCCCNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 CSCCC[*:1] C[C@@H](NC(=O)N[*:1])c1ccc2OCOc2c1
CSCCCNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 CSCC[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc2OCOc2c1
O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1CCCO1 FC(F)O[*:1] O=C(N[C@H]1CCCc2cc(ccc21)[*:1])[C@H]1CCCO1
O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1CCCO1 FC(F)[*:1] O=C(N[C@H]1CCCc2cc(ccc21)O[*:1])[C@H]1CCCO1
O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(N[C@H]1CCCc2cc(ccc21)OC(F)F)[*:1]
CN(CC[C@@H]1CCCCO1)C(=O)Nc1ccc(SCc2ccco2)cc1 c1coc(c1)C[*:1] CN(CC[C@@H]1CCCCO1)C(=O)Nc1ccc(cc1)S[*:1]
CN(CC[C@@H]1CCCCO1)C(=O)Nc1ccc(SCc2ccco2)cc1 c1coc(c1)CS[*:1] CN(CC[C@@H]1CCCCO1)C(=O)Nc1ccc(cc1)[*:1]
CN(CC[C@@H]1CCCCO1)C(=O)Nc1ccc(SCc2ccco2)cc1 c1coc(c1)[*:1] CN(CC[C@@H]1CCCCO1)C(=O)Nc1ccc(cc1)SC[*:1]
Cc1ccccc1OCCC(=O)NCc1ccc2c(c1)OCO2 Cc1ccccc1[*:1] O=C(CCO[*:1])NCc1ccc2OCOc2c1
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H](C[*:1])n1cnnn1
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 c1ccc(cc1)C[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H](n1cnnn1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 CCOC(=O)[*:1] O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 c1nnnn1[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H](Cc1ccccc1)[*:1]
CCN(CCC(F)(F)F)C(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 FC(F)(F)CC[*:1] CCN(C(=O)N[C@H]1C[C@H]2CCCc3cccc1c32)[*:1]
CCN(CCC(F)(F)F)C(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 FC(F)(F)C[*:1] CCN(C[*:1])C(=O)N[C@H]1C[C@H]2CCCc3cccc1c32
CCN(CCC(F)(F)F)C(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 FC(F)(F)[*:1] CCN(CC[*:1])C(=O)N[C@H]1C[C@H]2CCCc3cccc1c32
CN(CCOc1ccccc1)C(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)NCc1cn(nn1)-c1ccccc1
CN(CCOc1ccccc1)C(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)OC[*:1] CN(C[*:1])C(=O)NCc1cn(nn1)-c1ccccc1
CN(CCOc1ccccc1)C(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] CN(CCOc1ccccc1)C(=O)NCc1cn(nn1)[*:1]
CN(CCOc1ccccc1)C(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)NCc1cn(nn1)-c1ccccc1
Nc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 NS(=O)(=O)[*:1] Nc1nnc(SCC(=O)Nc2ccc(cc2)[*:1])s1
Nc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 Nc1nnc(S[*:1])s1 NS(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
Nc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 Nc1nnc(s1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CS[*:1]
CCOc1ccccc1C(=O)NCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 CCO[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)CNC(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)NCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 CCOc1ccccc1[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)CNC(=O)[*:1]
N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)c1cccc(Cl)c1 C1CCN(C1)[*:1] N#C/C(=C/c1cc(Br)c(o1)[*:1])c1cccc(Cl)c1
N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] N#C/C(=C/c1cc(Br)c(o1)N1CCCC1)[*:1]
Cc1cc(C)n2cc(C[NH+](C)CCC3CCN(c4cc[nH+]cc4)CC3)nc2n1 c1cc(cc[nH+]1)[*:1] Cc1cc(C)n2cc(C[NH+](C)CCC3CCN(CC3)[*:1])nc2n1
COCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3nc(C)cc(C)n3)n2)C1 Cc1cc(C)nc(n1)[*:1] COCC(=O)N1CC[C@H](C1)c1nc(C)cc(n1)N[*:1]
COCC(=O)N1CC[C@@H](c2nc(C)cc(Nc3nc(C)cc(C)n3)n2)C1 COC[*:1] Cc1cc(C)nc(n1)Nc1cc(C)nc(n1)[C@@H]1CCN(C1)C(=O)[*:1]
O=C(CC(c1ccccc1)c1ccccc1)NCc1nnnn1-c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(CC(c1ccccc1)[*:1])NCc1nnnn1-c1ccc(Cl)cc1
O=C(CC(c1ccccc1)c1ccccc1)NCc1nnnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CC(c1ccccc1)c1ccccc1)NCc1nnnn1[*:1]
Cc1cc(C)n(-c2cc(NCCNC(=O)c3sc(C)nc3C)ncn2)n1 Cc1nc(C)c(s1)[*:1] Cc1cc(C)n(n1)-c1cc(ncn1)NCCNC(=O)[*:1]
Cc1cc(C)n(-c2cc(NCCNC(=O)c3sc(C)nc3C)ncn2)n1 Cc1cc(C)n(n1)[*:1] Cc1nc(C)c(s1)C(=O)NCCNc1cc(ncn1)[*:1]
Cn1cc(CNC(=O)NC[C@](C)(O)c2ccsc2)cn1 Cn1cc(cn1)[*:1] C[C@](O)(CNC(=O)NC[*:1])c1ccsc1
Cn1cc(CNC(=O)NC[C@](C)(O)c2ccsc2)cn1 c1cc(cs1)[*:1] Cn1cc(cn1)CNC(=O)NC[C@](C)(O)[*:1]
Cn1nc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c2nccnc21 Fc1ccc(cc1)[*:1] Cn1nc(c2nccnc21)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cn1nc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c2nccnc21 Fc1ccc(cc1)C[*:1] Cn1nc(c2nccnc21)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(C)cc(NCC(=O)N(C)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NCC(=O)N(C)[*:1]
Cc1cc(C)cc(NCC(=O)N(C)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NCC(=O)N(C)C[*:1]
CCc1nn(C)cc1C(=O)NC[C@H](CC)CCO CC[C@H](CCO)[*:1] CCc1nn(C)cc1C(=O)NC[*:1]
CCc1nn(C)cc1C(=O)NC[C@H](CC)CCO OCC[*:1] CCc1nn(C)cc1C(=O)NC[C@H](CC)[*:1]
CC(=O)N1CCC(CCC(=O)Nc2cccc(-c3ncc(C)o3)c2)CC1 Cc1cnc(o1)[*:1] CC(=O)N1CCC(CCC(=O)Nc2cccc(c2)[*:1])CC1
COc1cccc(CC2=NO[C@@H](C(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)C2)c1 COc1cccc(c1)C[*:1] O=C([C@H]1CC(=NO1)[*:1])N1CCC[C@H](COc2ccc(F)cc2)C1
COc1cccc(CC2=NO[C@@H](C(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)C2)c1 COc1cccc(c1)[*:1] O=C([C@H]1CC(C[*:1])=NO1)N1CCC[C@H](COc2ccc(F)cc2)C1
COc1cccc(CC2=NO[C@@H](C(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)C2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CC1C[C@@H](ON=1)C(=O)N1CCC[C@H](CO[*:1])C1
COc1cccc(CC2=NO[C@@H](C(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)C2)c1 Fc1ccc(cc1)OC[*:1] COc1cccc(c1)CC1C[C@@H](ON=1)C(=O)N1CCC[C@H](C1)[*:1]
COc1cccc(CC2=NO[C@@H](C(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)C2)c1 Fc1ccc(cc1)O[*:1] COc1cccc(c1)CC1C[C@@H](ON=1)C(=O)N1CCC[C@@H](C1)C[*:1]
COc1ccc(-c2cc(-c3ccc(C)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(c2c(=O)n(C)c(=O)n(C)c2n1)[*:1]
COc1ccc(-c2cc(-c3ccc(C)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cc(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
O=C(NC[C@H](O)c1ccco1)c1n[nH]c(=O)c2ccccc12 c1coc(c1)[*:1] O=C(NC[C@H](O)[*:1])c1n[nH]c(=O)c2ccccc12
O=C(NC[C@H](O)c1ccco1)c1n[nH]c(=O)c2ccccc12 O[C@H](c1ccco1)[*:1] O=C(NC[*:1])c1n[nH]c(=O)c2ccccc12
COC(=O)C1=CN(C2CCCC2)C=C(C(=O)OC)C1c1cccc(Cl)c1 COC(=O)[*:1] COC(=O)C1=CN(C=C(C1c1cccc(Cl)c1)[*:1])C1CCCC1
COC(=O)C1=CN(C2CCCC2)C=C(C(=O)OC)C1c1cccc(Cl)c1 C1CCC(C1)[*:1] COC(=O)C1=CN(C=C(C(=O)OC)C1c1cccc(Cl)c1)[*:1]
COC(=O)C1=CN(C2CCCC2)C=C(C(=O)OC)C1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)C1=CN(C=C(C(=O)OC)C1[*:1])C1CCCC1
Cn1ncc2c(N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)nc(-c3ccncc3)nc21 CC(C)(C)[*:1] Cn1ncc2c(nc(nc21)-c1ccncc1)N[C@@H](Cn1cc[nH+]c1)[*:1]
Cn1ncc2c(N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)nc(-c3ccncc3)nc21 c1cc(ccn1)[*:1] Cn1ncc2c(nc(nc21)[*:1])N[C@@H](Cn1cc[nH+]c1)C(C)(C)C
Cc1nc(C)c(CS(=O)(=O)CCCc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(CS(=O)(=O)CCC[*:1])s1
C[NH2+][C@H](C)c1ccc(SCCSc2ccccc2)cc1 c1ccc(cc1)[*:1] C[NH2+][C@H](C)c1ccc(cc1)SCCS[*:1]
CCC1(CNC(=O)Nc2ccccc2C(C)C)CC1 CCC1(CC1)C[*:1] CC(C)c1ccccc1NC(=O)N[*:1]
CCC1(CNC(=O)Nc2ccccc2C(C)C)CC1 CC(C)[*:1] CCC1(CC1)CNC(=O)Nc1ccccc1[*:1]
CCC1(CNC(=O)Nc2ccccc2C(C)C)CC1 CCC1(CC1)[*:1] CC(C)c1ccccc1NC(=O)NC[*:1]
COc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CN(Cc2csc(n2)NC(=O)[*:1])C[C@@H](C)O1
CCOc1ccc2cc(C(=O)N(Cc3ccc([C@H]4C[C@H]4C)o3)C3CC3)[nH]c2c1 CCO[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc3ccc(cc3[nH]2)[*:1])C2CC2)o1
CCOc1ccc2cc(C(=O)N(Cc3ccc([C@H]4C[C@H]4C)o3)C3CC3)[nH]c2c1 C1CC1[*:1] CCOc1ccc2cc([nH]c2c1)C(=O)N(Cc1ccc(o1)[C@H]1C[C@H]1C)[*:1]
CCC[C@H]([NH3+])CC[C@H]1CCOC2(CCCC2)C1 CCC[*:1] [NH3+][C@H](CC[C@H]1CCOC2(CCCC2)C1)[*:1]
C[C@H]1CC(=O)Nc2c1c(NC(=O)C1CCCC1)nn2C C1CCC(C1)[*:1] C[C@H]1CC(=O)Nc2c1c(nn2C)NC(=O)[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1ccc(Cn2ccccc2=O)o1 CC(C)CC[*:1] O=C(N[C@@H]1CCC[C@@H]1[*:1])c1ccc(Cn2ccccc2=O)o1
CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1ccc(Cn2ccccc2=O)o1 CC(C)C[*:1] O=C(N[C@@H]1CCC[C@@H]1C[*:1])c1ccc(Cn2ccccc2=O)o1
CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1C[*:1] CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1ccc(o1)[*:1]
CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1ccc(Cn2ccccc2=O)o1 CC(C)[*:1] O=C(N[C@@H]1CCC[C@@H]1CC[*:1])c1ccc(Cn2ccccc2=O)o1
CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1[*:1] CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1ccc(C[*:1])o1
CCOc1ccc(S(=O)(=O)N[C@@H]2N=CN=N2)cc1 CCO[*:1] O=S(=O)(N[C@@H]1N=CN=N1)c1ccc(cc1)[*:1]
O=C(CNC(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N[C@@H](c1ccccc1)C1CC1
O=C(CNC(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccccc1)N[C@@H](C1CC1)[*:1]
O=C(CNC(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(CNC(=O)c1ccccc1)N[C@@H](c1ccccc1)[*:1]
O=C(N[C@H]1CC[C@@H](C(=O)[O-])C1)c1nnn[n-]1 O=C([O-])[*:1] O=C(N[C@H]1CC[C@@H](C1)[*:1])c1nnn[n-]1
CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(Cc2ccc(cc2)C(=O)N[*:1])C1=O)c1ccc(cc1)OC
CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O COc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(Cc2ccc(cc2)C(=O)Nc2ccccc2)C1=O)[*:1]
CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O O=C(Nc1ccccc1)[*:1] CC[C@@]1(NC(=O)N(Cc2ccc(cc2)[*:1])C1=O)c1ccc(cc1)OC
CCCNC(=O)c1cccc(CNC(=O)Nc2cc(C)nn2C)c1 CCC[*:1] Cc1cc(NC(=O)NCc2cccc(c2)C(=O)N[*:1])n(C)n1
CCCNC(=O)c1cccc(CNC(=O)Nc2cc(C)nn2C)c1 Cc1cc(n(C)n1)[*:1] CCCNC(=O)c1cccc(c1)CNC(=O)N[*:1]
CCCNC(=O)c1cccc(CNC(=O)Nc2cc(C)nn2C)c1 CCCNC(=O)[*:1] Cc1cc(NC(=O)NCc2cccc(c2)[*:1])n(C)n1
CC[C@@H]([NH2+]C)c1ccn(CC(=O)N(CC)C2CC2)c1 C1CC1[*:1] CC[C@@H]([NH2+]C)c1ccn(c1)CC(=O)N(CC)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1ccc(C(F)(F)F)cc1 COC(=O)[*:1] Cc1cc2OC(N)=C([C@@H](c3ccc(cc3)C(F)(F)F)c2c(=O)n1Cc1cccnc1)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1ccc(C(F)(F)F)cc1 c1cncc(c1)C[*:1] COC(=O)C1=C(N)Oc2cc(C)n(c(=O)c2[C@@H]1c1ccc(cc1)C(F)(F)F)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1ccc(cc1)[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@H]1[*:1]
COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1ccc(C(F)(F)F)cc1 c1cncc(c1)[*:1] COC(=O)C1=C(N)Oc2cc(C)n(C[*:1])c(=O)c2[C@@H]1c1ccc(cc1)C(F)(F)F
CC(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc2ccncc2cn1 CC(C)[*:1] O=C(NC[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1cc2ccncc2cn1
CC(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc2ccncc2cn1 CC(C)C[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1cc2ccncc2cn1
CC(C)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc2ccncc2cn1 CC(C)CNC(=O)[*:1] O=C(c1cc2ccncc2cn1)N1Cc2ccccc2C[C@H]1[*:1]
CC(=O)Nc1c(C)cc(N[C@H](C)C(=O)NCCc2ccccc2C)cc1C CC(=O)N[*:1] Cc1ccccc1CCNC(=O)[C@@H](C)Nc1cc(C)c(c(C)c1)[*:1]
CC(=O)Nc1c(C)cc(N[C@H](C)C(=O)NCCc2ccccc2C)cc1C Cc1ccccc1[*:1] CC(=O)Nc1c(C)cc(cc1C)N[C@H](C)C(=O)NCC[*:1]
CC(=O)Nc1c(C)cc(N[C@H](C)C(=O)NCCc2ccccc2C)cc1C Cc1ccccc1CC[*:1] CC(=O)Nc1c(C)cc(cc1C)N[C@H](C)C(=O)N[*:1]
CC(=O)Nc1c(C)cc(N[C@H](C)C(=O)NCCc2ccccc2C)cc1C Cc1ccccc1C[*:1] CC(=O)Nc1c(C)cc(cc1C)N[C@H](C)C(=O)NC[*:1]
COc1ccc(CCC(=O)N(CC#N)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CCC(=O)N(CC#N)[*:1]
COc1ccc(CCC(=O)N(CC#N)c2ccccc2)cc1OC N#CC[*:1] COc1ccc(cc1OC)CCC(=O)N(c1ccccc1)[*:1]
O=C(Nc1ccnn1C1CCCCC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nc1ccnn1C1CCCCC1)[*:1]
O=C(Nc1ccnn1C1CCCCC1)c1cccc(Cl)c1 C1CCC(CC1)[*:1] O=C(Nc1ccnn1[*:1])c1cccc(Cl)c1
CC(=O)Nc1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 CC(=O)N[*:1] O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(cc1)[*:1]
CC(C)[C@H](CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] CS(=O)(=O)[*:1] CC(C)[C@H](CO)Nc1ccc(cc1[N+](=O)[O-])[*:1]
CC(C)[C@H](CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] CC(C)[*:1] CS(=O)(=O)c1ccc(N[C@@H](CO)[*:1])c(c1)[N+](=O)[O-]
CC(C)[C@H](CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] CC(C)[C@H](CO)[*:1] CS(=O)(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
CC(C)[C@H](CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)[C@H](CO)Nc1ccc(cc1[*:1])S(C)(=O)=O
C=CCN(C(=O)Cc1ccc(C)cc1)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)Cc1ccc(C)cc1)[*:1]
C=CCN(C(=O)Cc1ccc(C)cc1)c1ccccc1 C=CC[*:1] Cc1ccc(cc1)CC(=O)N(c1ccccc1)[*:1]
CC1CCN(C(=O)[C@@H](C)Sc2nnnn2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC1CCN(CC1)C(=O)[C@@H](C)Sc1nnnn1[*:1]
CC1CCN(C(=O)[C@@H](C)Sc2nnnn2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)[C@@H](C)Sc1nnnn1C[*:1]
COCC[C@H](C)[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 COCC[*:1] C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
COCC[C@H](C)[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 COC[*:1] C[C@@H](C[*:1])[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1
N#CCOc1cccc(CC(=O)N2CCC2)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])N1CCC1
N#CCOc1cccc(CC(=O)N2CCC2)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])N1CCC1
CS(=O)(=O)Cc1ccc(CNc2ncc(C(N)=O)cc2Cl)cc1 CS(=O)(=O)C[*:1] NC(=O)c1cnc(NCc2ccc(cc2)[*:1])c(Cl)c1
CS(=O)(=O)Cc1ccc(CNc2ncc(C(N)=O)cc2Cl)cc1 NC(=O)[*:1] CS(=O)(=O)Cc1ccc(cc1)CNc1ncc(cc1Cl)[*:1]
CS(=O)(=O)Cc1ccc(CNc2ncc(C(N)=O)cc2Cl)cc1 CS(=O)(=O)[*:1] NC(=O)c1cnc(NCc2ccc(cc2)C[*:1])c(Cl)c1
CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)cc1 OCC[*:1] CC[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1)[*:1]
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccnc3)nnc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)N/N=C/c1cccnc1
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccnc3)nnc2-c2ccccc2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccc1)SCC(=O)NN=C[*:1]
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccnc3)nnc2-c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2)n1[*:1])N/N=C/c1cccnc1
C=CCCS(=O)(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 Cc1nc(cs1)[*:1] C=CCCS(=O)(=O)N1CCc2sc(cc2C1)[*:1]
C=CCCS(=O)(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 C=CC[*:1] Cc1nc(cs1)-c1cc2CN(CCc2s1)S(=O)(=O)C[*:1]
C=CCCS(=O)(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 C=CCC[*:1] Cc1nc(cs1)-c1cc2CN(CCc2s1)S(=O)(=O)[*:1]
Cc1cccn2c(=O)c(C(=O)N(CC3CC3)C3CCCCC3)cnc12 C1CC1[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(C[*:1])C1CCCCC1
Cc1cccn2c(=O)c(C(=O)N(CC3CC3)C3CCCCC3)cnc12 C1CCC(CC1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(CC1CC1)[*:1]
Cc1cccn2c(=O)c(C(=O)N(CC3CC3)C3CCCCC3)cnc12 C1CC1C[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(C1CCCCC1)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n23)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n23)c(C)c1[*:1]
COc1ccc(C[C@H](C)[NH2+]Cc2ncn(C)n2)cc1 Cn1cnc(n1)[*:1] COc1ccc(cc1)C[C@H](C)[NH2+]C[*:1]
Cc1cc2oc(=O)c(CC(=O)N(C)CCO)c(C)c2c2occ(-c3ccccc3)c12 CN(CCO)C(=O)[*:1] Cc1cc2oc(=O)c(C[*:1])c(C)c2c2occ(-c3ccccc3)c12
Cc1cc2oc(=O)c(CC(=O)N(C)CCO)c(C)c2c2occ(-c3ccccc3)c12 CN(CCO)C(=O)C[*:1] Cc1cc2oc(=O)c(c(C)c2c2occ(-c3ccccc3)c12)[*:1]
Cc1cc2oc(=O)c(CC(=O)N(C)CCO)c(C)c2c2occ(-c3ccccc3)c12 c1ccc(cc1)[*:1] Cc1cc2oc(=O)c(CC(=O)N(C)CCO)c(C)c2c2occ(c12)[*:1]
Cc1cc2oc(=O)c(CC(=O)N(C)CCO)c(C)c2c2occ(-c3ccccc3)c12 OCC[*:1] Cc1cc2oc(=O)c(CC(=O)N(C)[*:1])c(C)c2c2occ(-c3ccccc3)c12
CCCCCNC(=O)c1cccc(-c2ccc(N3CCOCC3)nn2)c1 CCCCC[*:1] O=C(N[*:1])c1cccc(c1)-c1ccc(nn1)N1CCOCC1
CCCCCNC(=O)c1cccc(-c2ccc(N3CCOCC3)nn2)c1 CCC[*:1] O=C(NCC[*:1])c1cccc(c1)-c1ccc(nn1)N1CCOCC1
CCCCCNC(=O)c1cccc(-c2ccc(N3CCOCC3)nn2)c1 C1CN(CCO1)[*:1] CCCCCNC(=O)c1cccc(c1)-c1ccc(nn1)[*:1]
CCCCCNC(=O)c1cccc(-c2ccc(N3CCOCC3)nn2)c1 CCCCCNC(=O)[*:1] c1cc(cc(c1)[*:1])-c1ccc(nn1)N1CCOCC1
CCCCCNC(=O)c1cccc(-c2ccc(N3CCOCC3)nn2)c1 CCCC[*:1] O=C(NC[*:1])c1cccc(c1)-c1ccc(nn1)N1CCOCC1
CC(C)(CO)CCCNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 CC(C)(CO)CCC[*:1] O=C(N[*:1])N1CCO[C@@H](C1)c1ccc(Cl)cc1
CC(C)(CO)CCCNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 CC(C)(CO)[*:1] O=C(NCCC[*:1])N1CCO[C@@H](C1)c1ccc(Cl)cc1
CC(C)(CO)CCCNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(C)(CO)CCCNC(=O)N1CCO[C@H](C1)[*:1]
CC(C)(CO)CCCNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 CC(C)(CO)CC[*:1] O=C(NC[*:1])N1CCO[C@@H](C1)c1ccc(Cl)cc1
CC(C)(CO)CCCNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 CC(C)(CO)C[*:1] O=C(NCC[*:1])N1CCO[C@@H](C1)c1ccc(Cl)cc1
COc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 O=C([O-])C[*:1] COc1ccc(cn1)NS(=O)(=O)c1ccc(cc1)C[*:1]
COc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 O=C([O-])[*:1] COc1ccc(cn1)NS(=O)(=O)c1ccc(cc1)CC[*:1]
COc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 O=C([O-])CC[*:1] COc1ccc(cn1)NS(=O)(=O)c1ccc(cc1)[*:1]
C[NH2+][C@H]1COC[C@H]1C(=O)N[C@@H](CO)C(C)C CC(C)[*:1] C[NH2+][C@H]1COC[C@H]1C(=O)N[C@@H](CO)[*:1]
O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1cnccn1 c1csc(c1)[*:1] O=C(N[C@H](c1ccc(F)cc1)[*:1])c1cnccn1
O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1cnccn1 Fc1ccc(cc1)[*:1] O=C(N[C@H](c1cccs1)[*:1])c1cnccn1
O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1cnccn1 c1cnc(cn1)[*:1] O=C(N[C@H](c1ccc(F)cc1)c1cccs1)[*:1]
N#CSc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 N#CS[*:1] O=C(COc1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
N#CSc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] N#CSc1ccc(cc1)NC(=O)CO[*:1]
CC[C@H](C[NH2+]C1CC1)c1ccccc1Br C1CC1[*:1] CC[C@H](C[NH2+][*:1])c1ccccc1Br
Cc1nsc(N[C@H](C)c2cccc(Br)c2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(N[C@H](C)c2cccc(Br)c2)c1[*:1]
O=C1NC(=O)C2(CCN(C(=O)c3cccc(Nc4ncccn4)c3)CC2)N1 c1cnc(nc1)N[*:1] O=C1NC(=O)C2(CCN(CC2)C(=O)c2cccc(c2)[*:1])N1
O=C1NC(=O)C2(CCN(C(=O)c3cccc(Nc4ncccn4)c3)CC2)N1 c1cnc(nc1)[*:1] O=C1NC(=O)C2(CCN(CC2)C(=O)c2cccc(c2)N[*:1])N1
O=C(COc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(COc1ccc(F)cc1)NC[C@H](c1ccsc1)[*:1]
O=C(COc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCOCC1 Fc1ccc(cc1)O[*:1] O=C(C[*:1])NC[C@H](c1ccsc1)N1CCOCC1
O=C(COc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCOCC1 c1cc(cs1)[*:1] O=C(COc1ccc(F)cc1)NC[C@H](N1CCOCC1)[*:1]
O=C(COc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCOCC1 Fc1ccc(cc1)[*:1] O=C(CO[*:1])NC[C@H](c1ccsc1)N1CCOCC1
C#CCNCC(=O)N1CC[NH+]([C@@H](C)C(=O)[O-])CC1 C#CC[*:1] C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C(=O)CN[*:1]
C#CCNCC(=O)N1CC[NH+]([C@@H](C)C(=O)[O-])CC1 C#CCN[*:1] C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C(=O)C[*:1]
C#CCNCC(=O)N1CC[NH+]([C@@H](C)C(=O)[O-])CC1 C#CCNC[*:1] C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C(=O)[*:1]
C#CCNCC(=O)N1CC[NH+]([C@@H](C)C(=O)[O-])CC1 O=C([O-])[*:1] C#CCNCC(=O)N1CC[NH+](CC1)[C@@H](C)[*:1]
CC(C)c1ccc(CN(C)C(=O)[C@H]2CCO[C@H]2C)cc1 CC(C)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1ccc(cc1)[*:1]
O=C(CSc1ccccc1)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1ccccc1)NNC(=O)[*:1]
O=C(CSc1ccccc1)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CS[*:1])NNC(=O)c1ccccc1
O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N1CCC[C@@H]1C[C@@H](O)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N1CCC[C@@H]1C[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(N1CCC[C@@H]1C[C@@H](O)c1ccccc1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 O=[N+]([O-])[*:1] O=C(c1ccc(o1)[*:1])N1CCC[C@@H]1C[C@@H](O)c1ccccc1
CC(C)(C)NC(=O)c1cc2c(s1)-c1ccccc1OC2 CC(C)(C)[*:1] O=C(N[*:1])c1cc2COc3ccccc3-c2s1
COc1cc(CN(C(=O)N[C@H](C)c2cccc(C#N)c2)C2CC2)ccc1O N#Cc1cccc(c1)[*:1] COc1cc(ccc1O)CN(C(=O)N[C@H](C)[*:1])C1CC1
COc1cc(CN(C(=O)N[C@H](C)c2cccc(C#N)c2)C2CC2)ccc1O C1CC1[*:1] COc1cc(ccc1O)CN(C(=O)N[C@H](C)c1cccc(C#N)c1)[*:1]
COc1cc(CN(C(=O)N[C@H](C)c2cccc(C#N)c2)C2CC2)ccc1O COc1cc(ccc1O)[*:1] C[C@@H](NC(=O)N(C[*:1])C1CC1)c1cccc(C#N)c1
C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)cc1[*:1]
Cc1ccc(C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NCCc1csc2nc(nn12)-c1cccc(F)c1
Cc1ccc(C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1[N+](=O)[O-] Cc1ccc(cc1[N+](=O)[O-])[*:1] O=C(NCCc1csc2nc(nn12)-c1cccc(F)c1)[*:1]
Cc1ccc(C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1[N+](=O)[O-] Fc1cccc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NCCc1csc2nc(nn12)[*:1]
Cc1noc(C)c1NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 Clc1ccccc1[*:1] Cc1noc(C)c1NC(=O)N1CCO[C@@H](C1)[*:1]
Cc1noc(C)c1NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 Cc1noc(C)c1[*:1] O=C(N[*:1])N1CCO[C@H](C1)c1ccccc1Cl
O=C(c1ccccc1O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccccc1O)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1[*:1]
O=C(c1ccccc1O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 Oc1ccccc1[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccccc1O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CC1 FC(F)(F)c1ccccc1[*:1] O=C(c1ccccc1O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
CCOc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)nc1 c1ccc(cc1)[*:1] CCOc1ccccc1C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
CCOc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)nc1 CCOc1ccccc1[*:1] O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(CC1)c1ccc(cn1)NC(=O)[*:1]
CCOc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)nc1 CCO[*:1] O=C(Nc1ccc(nc1)N1CCN(CC1)C(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1[*:1]
O=c1oc(-c2ccccc2)nn1CN1CCN(c2ccc(F)cn2)CC1 c1ccc(cc1)[*:1] O=c1oc(nn1CN1CCN(CC1)c1ccc(F)cn1)[*:1]
O=c1oc(-c2ccccc2)nn1CN1CCN(c2ccc(F)cn2)CC1 Fc1ccc(nc1)[*:1] O=c1oc(nn1CN1CCN(CC1)[*:1])-c1ccccc1
Cc1cc(C)n(-c2ccc(C(=O)N3CCn4c(C)nnc4C3)cc2)n1 Cc1cc(C)n(n1)[*:1] Cc1nnc2CN(CCn12)C(=O)c1ccc(cc1)[*:1]
O=C1CCCN1Cc1ccc(CNC(=O)N2CCOC[C@@H]2C2CC2)cc1 O=C1CCCN1[*:1] O=C(NCc1ccc(cc1)C[*:1])N1CCOC[C@@H]1C1CC1
O=C1CCCN1Cc1ccc(CNC(=O)N2CCOC[C@@H]2C2CC2)cc1 C1CC1[*:1] O=C1CCCN1Cc1ccc(cc1)CNC(=O)N1CCOC[C@H]1[*:1]
O=C1CCCN1Cc1ccc(CNC(=O)N2CCOC[C@@H]2C2CC2)cc1 O=C1CCCN1C[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCOC[C@@H]1C1CC1
Cc1cc(N[C@H](C)[C@@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])N[C@H](C)[C@@H](O)c1ccc(F)cc1
Cc1cc(N[C@H](C)[C@@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])N[C@H](C)[C@@H](O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1C(=O)N[C@H](CC1C[NH+]=c2ccccc2=1)[*:1])S(=O)(=O)N1CCCC1
Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-] O=S(=O)(N1CCCC1)[*:1] Cc1ccc(cc1C(=O)N[C@H](CC1C[NH+]=c2ccccc2=1)C(=O)[O-])[*:1]
COc1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1CC(=O)[O-] O=C([O-])[*:1] COc1ccc(cc1C[*:1])C(=O)/C=C/c1c(F)cccc1F
COc1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1CC(=O)[O-] Fc1cccc(F)c1[*:1] COc1ccc(cc1CC(=O)[O-])C(=O)C=C[*:1]
COc1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1CC(=O)[O-] O=C([O-])C[*:1] COc1ccc(cc1[*:1])C(=O)/C=C/c1c(F)cccc1F
CCSc1nc2nc(-c3ccccc3O)cc(-c3ccccc3)n2n1 CCS[*:1] Oc1ccccc1-c1cc(-c2ccccc2)n2nc(nc2n1)[*:1]
CCSc1nc2nc(-c3ccccc3O)cc(-c3ccccc3)n2n1 Oc1ccccc1[*:1] CCSc1nc2nc(cc(-c3ccccc3)n2n1)[*:1]
CCSc1nc2nc(-c3ccccc3O)cc(-c3ccccc3)n2n1 c1ccc(cc1)[*:1] CCSc1nc2nc(cc(n2n1)[*:1])-c1ccccc1O
NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCc3ccc(Cl)cc3C2)C1 NC(=O)[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])N1CCc2ccc(Cl)cc2C1
C=CCOC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] C=CCOC(=O)c1ccnc(c1)O[*:1]
C=CCOC(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] C=CCOC(=O)c1ccnc(c1)[*:1]
C=CCOC(=O)c1ccnc(OC(C)(C)C)c1 C=CC[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)O[*:1]
C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1nc2ccccc2s1 Fc1ccc(cc1)[*:1] C[C@@H]([NH2+]Cc1ccn(n1)[*:1])c1nc2ccccc2s1
C[C@H]1C[C@@H](NC(=O)CCn2cncn2)CN1c1ccccc1 c1ncn(C[*:1])n1 C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)C[*:1]
C[C@H]1C[C@@H](NC(=O)CCn2cncn2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1[*:1])NC(=O)CCn1cncn1
C[C@H]1C[C@@H](NC(=O)CCn2cncn2)CN1c1ccccc1 c1ncn(CC[*:1])n1 C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)[*:1]
C[C@H]1C[C@@H](NC(=O)CCn2cncn2)CN1c1ccccc1 c1ncn(n1)[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)CC[*:1]
COc1ccc2nc(C(=O)N(C)CC(=O)N(C)C)ccc2c1 CN(C)C(=O)C[*:1] COc1ccc2nc(ccc2c1)C(=O)N(C)[*:1]
COc1ccc2nc(C(=O)N(C)CC(=O)N(C)C)ccc2c1 CN(C)C(=O)[*:1] COc1ccc2nc(ccc2c1)C(=O)N(C)C[*:1]
Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C)cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1F)[C@H](C)Nc1ccc(cc1C)[*:1]
CCOC(=O)C1(C)CCN(C(=O)N[C@H](C)C2CCOCC2)CC1 CCOC(=O)[*:1] C[C@@H](NC(=O)N1CCC(C)(CC1)[*:1])C1CCOCC1
CCOC(=O)C1(C)CCN(C(=O)N[C@H](C)C2CCOCC2)CC1 C1CC(CCO1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)N[C@H](C)[*:1]
COCCOc1ccccc1/C=C/c1cc(C(=O)[O-])ncn1 COCC[*:1] O=C([O-])c1cc(/C=C/c2ccccc2O[*:1])ncn1
COCCOc1ccccc1/C=C/c1cc(C(=O)[O-])ncn1 COCCO[*:1] O=C([O-])c1cc(/C=C/c2ccccc2[*:1])ncn1
COCCOc1ccccc1/C=C/c1cc(C(=O)[O-])ncn1 O=C([O-])[*:1] COCCOc1ccccc1/C=C/c1cc(ncn1)[*:1]
COCCOc1ccccc1/C=C/c1cc(C(=O)[O-])ncn1 COC[*:1] O=C([O-])c1cc(/C=C/c2ccccc2OC[*:1])ncn1
C[C@@H](C(=O)Nc1ccccc1[C@@H](C)O)N1CCN(c2ncccn2)CC1 C[C@@H](O)[*:1] C[C@@H](C(=O)Nc1ccccc1[*:1])N1CCN(CC1)c1ncccn1
C[C@@H](C(=O)Nc1ccccc1[C@@H](C)O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] C[C@@H](C(=O)Nc1ccccc1[C@@H](C)O)N1CCN(CC1)[*:1]
Cc1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)c1cccc(c1NC(=O)CO[*:1])C(C)C
Cc1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)OCC(=O)Nc1c(cccc1[*:1])C(C)C
Cc1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 Cc1ccc(cc1)O[*:1] CC(C)c1cccc(c1NC(=O)C[*:1])C(C)C
CC[C@@]1(C)NC(=O)N(CC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)C1=O C1CC(C1)[*:1] CC[C@@]1(C)NC(=O)N(CC(=O)N(C[*:1])[C@H](C)c2ccccc2)C1=O
CC[C@@]1(C)NC(=O)N(CC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)C1=O C1CC(C1)C[*:1] CC[C@@]1(C)NC(=O)N(CC(=O)N([C@H](C)c2ccccc2)[*:1])C1=O
CC[C@@]1(C)NC(=O)N(CC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(C)NC(=O)N(CC(=O)N(CC2CCC2)[C@H](C)[*:1])C1=O
CC[C@@]1(C)NC(=O)N(CC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)C1=O C[C@H](c1ccccc1)[*:1] CC[C@@]1(C)NC(=O)N(CC(=O)N(CC2CCC2)[*:1])C1=O
CC1CCN(C(=O)N[C@H](/C(N)=N/O)c2ccccc2)CC1 N/C(=N\O)[*:1] CC1CCN(CC1)C(=O)N[C@H](c1ccccc1)[*:1]
CC1CCN(C(=O)N[C@H](/C(N)=N/O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)N[C@H](/C(N)=N/O)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCOCC34CCC4)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C([C@H]1CCC(=O)N(C1)[*:1])N1CCOCC12CCC2
Cc1ccc(C)c([C@H]2SCCN2S(=O)(=O)c2cccc3cccnc23)c1 Cc1ccc(C)c(c1)[*:1] O=S(=O)(c1cccc2cccnc12)N1CCS[C@@H]1[*:1]
O=C1CCc2cc(S(=O)(=O)N(Cc3cccnc3)Cc3ccco3)ccc2N1 c1cncc(c1)C[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N(Cc1ccco1)[*:1]
O=C1CCc2cc(S(=O)(=O)N(Cc3cccnc3)Cc3ccco3)ccc2N1 c1coc(c1)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N(Cc1cccnc1)C[*:1]
O=C1CCc2cc(S(=O)(=O)N(Cc3cccnc3)Cc3ccco3)ccc2N1 c1cncc(c1)[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N(Cc1ccco1)C[*:1]
O=C1CCc2cc(S(=O)(=O)N(Cc3cccnc3)Cc3ccco3)ccc2N1 c1coc(c1)C[*:1] O=C1CCc2cc(ccc2N1)S(=O)(=O)N(Cc1cccnc1)[*:1]
O=C(NCCN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCN1CCN(CC1)C(=O)c1ccc2OCOc2c1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1cc2OCOc2cc1[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
Cc1ccc(-n2ncc(NCCNC(=O)c3ccccc3Cl)c(Cl)c2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(NCCNc1cnn(c(=O)c1Cl)[*:1])c1ccccc1Cl
Cc1ccc(-n2ncc(NCCNC(=O)c3ccccc3Cl)c(Cl)c2=O)cc1Cl Clc1ccccc1[*:1] Cc1ccc(cc1Cl)-n1ncc(NCCNC(=O)[*:1])c(Cl)c1=O
C[C@H]1CC[C@@H](NC(=O)NC2CC2)[C@H](C)[NH2+]1 C1CC1[*:1] C[C@H]1CC[C@@H](NC(=O)N[*:1])[C@H](C)[NH2+]1
C=CCCO[C@@H](C)C(=O)N(C)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] C=CCCO[C@@H](C)C(=O)N(C)C1CCN(CC1)[*:1]
C=CCCO[C@@H](C)C(=O)N(C)C1CCN(c2cccc(F)c2)CC1 C=CCC[*:1] C[C@H](O[*:1])C(=O)N(C)C1CCN(CC1)c1cccc(F)c1
C=CCCO[C@@H](C)C(=O)N(C)C1CCN(c2cccc(F)c2)CC1 C=CC[*:1] C[C@H](OC[*:1])C(=O)N(C)C1CCN(CC1)c1cccc(F)c1
C=CCCO[C@@H](C)C(=O)N(C)C1CCN(c2cccc(F)c2)CC1 C=CCCO[*:1] C[C@@H](C(=O)N(C)C1CCN(CC1)c1cccc(F)c1)[*:1]
O=C(Cc1ccccc1)Nc1ccccc1C(=O)NCc1cccnc1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NCc1cccnc1
O=C(Cc1ccccc1)Nc1ccccc1C(=O)NCc1cccnc1 c1cncc(c1)[*:1] O=C(Cc1ccccc1)Nc1ccccc1C(=O)NC[*:1]
O=C(Cc1ccccc1)Nc1ccccc1C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(Cc1ccccc1)Nc1ccccc1C(=O)N[*:1]
O=C(Cc1ccccc1)Nc1ccccc1C(=O)NCc1cccnc1 c1ccc(cc1)C[*:1] O=C(NCc1cccnc1)c1ccccc1NC(=O)[*:1]
C[C@H](c1nnc(-c2cccs2)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 c1csc(c1)[*:1] C[C@H](c1nnc(o1)[*:1])N1CCN(CC1)c1ccc(Cl)cc1[N+](=O)[O-]
C[C@H](c1nnc(-c2cccs2)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[C@H](c1nnc(o1)-c1cccs1)N1CCN(CC1)c1ccc(Cl)cc1[*:1]
COc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC c1ccc2sc(nc2c1)[*:1] COc1cc(C(=O)N(C[C@H]2CCCO2)[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c(cc1OC)[*:1]
C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@@H](C)C1 N#CCCC[*:1] C[C@H]1CCN(C(=O)c2ccc(cc2)S(=O)(=O)[*:1])[C@@H](C)C1
C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@@H](C)C1 N#CCCCS(=O)(=O)[*:1] C[C@H]1CCN(C(=O)c2ccc(cc2)[*:1])[C@@H](C)C1
C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@@H](C)C1 N#CCC[*:1] C[C@H]1CCN(C(=O)c2ccc(cc2)S(=O)(=O)C[*:1])[C@@H](C)C1
C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[C@@H](C)C1 N#CC[*:1] C[C@H]1CCN(C(=O)c2ccc(cc2)S(=O)(=O)CC[*:1])[C@@H](C)C1
CCOC[C@H]1CCN(C(=O)[C@@H]2CCCc3ccccc32)C1 CCO[*:1] O=C([C@@H]1CCCc2ccccc21)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)[C@@H]2CCCc3ccccc32)C1 CCOC[*:1] O=C([C@@H]1CCCc2ccccc21)N1CC[C@@H](C1)[*:1]
O=C(NN=Cc1ccccc1OCc1ccccc1)c1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] O=C(NN=Cc1ccccc1OC[*:1])c1cc(n[nH]1)-c1ccccc1
O=C(NN=Cc1ccccc1OCc1ccccc1)c1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] O=C(NN=Cc1ccccc1OCc1ccccc1)c1cc(n[nH]1)[*:1]
O=C(NN=Cc1ccccc1OCc1ccccc1)c1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)CO[*:1] O=C(NN=Cc1ccccc1[*:1])c1cc(n[nH]1)-c1ccccc1
O=C(NN=Cc1ccccc1OCc1ccccc1)c1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)C[*:1] O=C(NN=Cc1ccccc1O[*:1])c1cc(n[nH]1)-c1ccccc1
Cn1cccc1C(=O)NC(=O)Cn1cnc(C#N)n1 Cn1cccc1[*:1] N#Cc1ncn(CC(=O)NC(=O)[*:1])n1
Cc1ccc([C@H](C)NC(=O)Nc2ccn(C)n2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@H](C)NC(=O)Nc1ccn(C)n1
Cc1ccc([C@H](C)NC(=O)Nc2ccn(C)n2)cc1[N+](=O)[O-] Cn1ccc(n1)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)NC(=O)N[*:1]
CCOC(CNC(=O)c1c([O-])nc2sccn2c1=O)OCC CCO[*:1] CCOC(CNC(=O)c1c([O-])nc2sccn2c1=O)[*:1]
CCOC(CNC(=O)c1c([O-])nc2sccn2c1=O)OCC CCOC(OCC)[*:1] O=C(NC[*:1])c1c([O-])nc2sccn2c1=O
O=C(C[C@@H]1CSCC[NH2+]1)N1CCC(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(C[C@@H]1CSCC[NH2+]1)N1CCC(CC1)[*:1]
Cc1cc(C)cc(OCC(=O)N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)c1 Cc1cc(C)cc(c1)O[*:1] O=C(C[*:1])N1N=C(C[C@]1(O)C(F)(F)F)c1cccnc1
Cc1cc(C)cc(OCC(=O)N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)c1 c1cncc(c1)[*:1] Cc1cc(C)cc(c1)OCC(=O)N1N=C(C[C@]1(O)C(F)(F)F)[*:1]
Cc1cc(C)cc(OCC(=O)N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)c1 Cc1cc(C)cc(c1)[*:1] O=C(CO[*:1])N1N=C(C[C@]1(O)C(F)(F)F)c1cccnc1
Cc1cc(C)cc(OCC(=O)N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(C)cc(c1)OCC(=O)N1N=C(C[C@@]1(O)[*:1])c1cccnc1
COc1cc2c(cc1OC)C(=O)[C@@H](S(=O)(=O)c1ccc(Cl)cc1)C2 Clc1ccc(cc1)[*:1] COc1cc2C[C@@H](C(=O)c2cc1OC)S(=O)(=O)[*:1]
C[C@@H]1CN(C2CCSCC2)[C@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(C2CCSCC2)[C@H](CO1)[*:1]
C[C@@H]1CN(C2CCSCC2)[C@H](c2ccccc2)CO1 C1CC(CCS1)[*:1] C[C@@H]1CN([C@@H](CO1)c1ccccc1)[*:1]
Cc1ccc(NCC(=O)NCC(F)(F)F)cc1Cl FC(F)(F)[*:1] Cc1ccc(cc1Cl)NCC(=O)NC[*:1]
Cc1ccc(NCC(=O)NCC(F)(F)F)cc1Cl FC(F)(F)C[*:1] Cc1ccc(cc1Cl)NCC(=O)N[*:1]
Cc1c(C(=O)N[C@@H](C#N)c2ccccc2F)oc2ccc(Cl)cc12 Fc1ccccc1[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)N[C@@H](C#N)[*:1]
CC(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1 CC(=O)N[*:1] O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@@H]1[*:1]
CC(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H]1C[*:1]
O=c1c2nn(-c3ccccc3)cc2cnn1C[C@H](O)COCc1ccco1 c1coc(c1)[*:1] O=c1c2nn(cc2cnn1C[C@H](O)COC[*:1])-c1ccccc1
O=c1c2nn(-c3ccccc3)cc2cnn1C[C@H](O)COCc1ccco1 c1ccc(cc1)[*:1] O=c1c2nn(cc2cnn1C[C@H](O)COCc1ccco1)[*:1]
O=c1c2nn(-c3ccccc3)cc2cnn1C[C@H](O)COCc1ccco1 c1coc(c1)C[*:1] O=c1c2nn(cc2cnn1C[C@H](O)CO[*:1])-c1ccccc1
O=c1c2nn(-c3ccccc3)cc2cnn1C[C@H](O)COCc1ccco1 c1coc(c1)COC[*:1] O=c1c2nn(cc2cnn1C[C@H](O)[*:1])-c1ccccc1
O=c1c2nn(-c3ccccc3)cc2cnn1C[C@H](O)COCc1ccco1 c1coc(c1)CO[*:1] O=c1c2nn(cc2cnn1C[C@H](O)C[*:1])-c1ccccc1
Cc1cc(NC(=O)CN2C[C@@H](c3ccccc3C)OC[C@H]2C)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1ccccc1[C@@H]1CN(CC(=O)N[*:1])[C@H](C)CO1
Cc1cc(NC(=O)CN2C[C@@H](c3ccccc3C)OC[C@H]2C)n(C)n1 Cc1ccccc1[*:1] Cc1cc(NC(=O)CN2C[C@@H](OC[C@H]2C)[*:1])n(C)n1
C=CCn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2ccccc2c1=O C=CC[*:1] C[C@@H]1CCCN(C1)C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
COc1cccc(CC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c1 COc1cccc(c1)[*:1] CC(C)C(=O)NC[C@@H]1CCCN(C1)C(=O)C[*:1]
COc1cccc(CC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c1 CC(C)C(=O)N[*:1] COc1cccc(c1)CC(=O)N1CCC[C@H](C1)C[*:1]
COc1cccc(CC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c1 CC(C)[*:1] COc1cccc(c1)CC(=O)N1CCC[C@@H](CNC(=O)[*:1])C1
COc1cccc(CC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c1 CC(C)C(=O)NC[*:1] COc1cccc(c1)CC(=O)N1CCC[C@@H](C1)[*:1]
COc1ccc(-n2ccc(C(=O)N(C)C3(C#N)CCC3)n2)cc1 N#CC1(CCC1)[*:1] COc1ccc(cc1)-n1ccc(n1)C(=O)N(C)[*:1]
C[C@H](Oc1ccc(F)cc1F)C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc(F)cc1F)C(=O)N1CCN(CC1)[*:1]
C[C@H](Oc1ccc(F)cc1F)C(=O)N1CCN(c2ccccc2)CC1 Fc1ccc(c(F)c1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)c1ccccc1
O=C=Nc1ccccc1OC(F)F FC(F)[*:1] O=C=Nc1ccccc1O[*:1]
O=C=Nc1ccccc1OC(F)F O=C=N[*:1] FC(F)Oc1ccccc1[*:1]
O=C=Nc1ccccc1OC(F)F FC(F)O[*:1] O=C=Nc1ccccc1[*:1]
COc1cccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c1 COc1cccc(c1)[*:1] O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(OC)c2)C1 CCC[*:1] COc1cccc(c1)C(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(OC)c2)C1 COc1cccc(c1)[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(OC)c2)C1 CCC[C@@H](C)[*:1] COc1cccc(c1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(OC)c2)C1 CCC[C@@H](C)NC(=O)[*:1] COc1cccc(c1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1nc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)nn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(nn1[*:1])C(=O)OCc1cc(Cl)c2OCCCOc2c1
Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N[C@H]1C[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] Cn1nc(cc1NC(=O)C(=O)N[C@H]1C[C@@H]1[*:1])CC(C)(C)C
Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N[C@H]1C[C@H]1C1CCCCC1 CC(C)(C)C[*:1] Cn1nc(cc1NC(=O)C(=O)N[C@H]1C[C@H]1C1CCCCC1)[*:1]
Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N[C@H]1C[C@H]1C1CCCCC1 CC(C)(C)[*:1] Cn1nc(cc1NC(=O)C(=O)N[C@H]1C[C@H]1C1CCCCC1)C[*:1]
COc1ncc(C2(O)CCN(C(=O)c3occ4ccccc34)CC2)c(OC)n1 c1ccc2c(occ2c1)[*:1] COc1ncc(c(n1)OC)C1(O)CCN(CC1)C(=O)[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 CC(C)[*:1] NC(=O)c1c(NC(=O)[C@@H](NC(=O)c2ccco2)[*:1])sc2CCCc21
CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 O=C(N[*:1])c1ccco1 CC(C)[C@H](C(=O)Nc1sc2CCCc2c1C(N)=O)[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 c1coc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1sc2CCCc2c1C(N)=O
CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 NC(=O)[*:1] CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1sc2CCCc2c1[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)Nc2cc(C)cc(C)c2)C1 CC(=O)N[*:1] Cc1cc(C)cc(c1)NC(=O)N1CCC[C@H](C1)[*:1]
O=C(Cc1ccc(Cl)cc1)NC[C@H](O)c1cccc2ccccc12 Clc1ccc(cc1)[*:1] O=C(C[*:1])NC[C@H](O)c1cccc2ccccc12
O=C(Cc1ccc(Cl)cc1)NC[C@H](O)c1cccc2ccccc12 Clc1ccc(cc1)C[*:1] O=C(NC[C@H](O)c1cccc2ccccc12)[*:1]
CCc1onc(C)c1NC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 CCc1onc(C)c1[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)N[*:1]
COc1ccccc1OCc1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)o1 NC(=O)[*:1] COc1ccccc1OCc1ccc(o1)C(=O)N1CCC[C@H](C1)[*:1]
COc1ccccc1OCc1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)o1 COc1ccccc1[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(CO[*:1])o1
CCc1ccc(OC)c([C@@H](N)C(F)(F)F)c1 FC(F)(F)[*:1] CCc1ccc(OC)c(c1)[C@@H](N)[*:1]
CCc1nn(C)c(NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1[*:1]
CCc1nn(C)c(NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CCc1nn(C)c(NC[C@@H]2CCCO[C@H]2[*:1])c1[N+](=O)[O-]
CN(C)C(=O)CCCC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 CN(C)C(=O)C[*:1] CC1(C)CC[C@H](CNC(=O)CC[*:1])c2ccccc21
CN(C)C(=O)CCCC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 CN(C)C(=O)[*:1] CC1(C)CC[C@H](CNC(=O)CCC[*:1])c2ccccc21
CN(C)C(=O)CCCC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 CN(C)C(=O)CC[*:1] CC1(C)CC[C@H](CNC(=O)C[*:1])c2ccccc21
CN(C)C(=O)CCCC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 CN(C)C(=O)CCC[*:1] CC1(C)CC[C@H](CNC(=O)[*:1])c2ccccc21
COC(CNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3)OC COC(OC)[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)NC[*:1])N1CCCC1
COC(CNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3)OC COC(CN[*:1])OC CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)[*:1])N1CCCC1
COC(CNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3)OC C1CCN(C1)[*:1] COC(CNc1ncnc2c1sc1nc(c3COC(C)(C)Cc3c12)[*:1])OC
COC(CNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3)OC COC(C[*:1])OC CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)N[*:1])N1CCCC1
CCCn1c(C)nnc1CSCC1CC1 CCC[*:1] Cc1nnc(CSCC2CC2)n1[*:1]
CCCn1c(C)nnc1CSCC1CC1 C1CC1CS[*:1] CCCn1c(C)nnc1C[*:1]
CCCn1c(C)nnc1CSCC1CC1 C1CC1[*:1] CCCn1c(C)nnc1CSC[*:1]
CCCn1c(C)nnc1CSCC1CC1 C1CC1C[*:1] CCCn1c(C)nnc1CS[*:1]
CN(CC1CCCC1)C(=O)C(=O)Nc1cccnc1Cl C1CCC(C1)C[*:1] CN(C(=O)C(=O)Nc1cccnc1Cl)[*:1]
CN(CC1CCCC1)C(=O)C(=O)Nc1cccnc1Cl C1CCC(C1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1cccnc1Cl
CC(C)[NH2+]Cc1cn[nH]c1C(C)C CC(C)[*:1] CC(C)c1[nH]ncc1C[NH2+][*:1]
CC(C)[NH2+]Cc1cn[nH]c1C(C)C CC(C)[*:1] CC(C)[NH2+]Cc1cn[nH]c1[*:1]
CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1Br)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)NC(=O)COc1ccc(Cl)cc1Br)[*:1]
CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1Br)O[C@@H](C)C2 Clc1ccc(c(Br)c1)[*:1] CCOc1cc2C[C@H](C)Oc2cc1NC(=O)CO[*:1]
C[C@H](NC(=O)NC[C@@H](O)COc1cccc(F)c1)c1cccs1 Fc1cccc(c1)[*:1] C[C@H](NC(=O)NC[C@@H](O)CO[*:1])c1cccs1
C[C@H](NC(=O)NC[C@@H](O)COc1cccc(F)c1)c1cccs1 C[C@H](c1cccs1)[*:1] O=C(NC[C@@H](O)COc1cccc(F)c1)N[*:1]
C[C@H](NC(=O)NC[C@@H](O)COc1cccc(F)c1)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)NC[C@@H](O)COc1cccc(F)c1)[*:1]
O=C1CCC(=O)N1CCN1CC[NH+](Cc2ccoc2)CC1 c1cc(co1)C[*:1] O=C1CCC(=O)N1CCN1CC[NH+](CC1)[*:1]
O=C1CCC(=O)N1CCN1CC[NH+](Cc2ccoc2)CC1 c1cc(co1)[*:1] O=C1CCC(=O)N1CCN1CC[NH+](CC1)C[*:1]
O=C1CCC(=O)N1CCN1CC[NH+](Cc2ccoc2)CC1 O=C1CCC(=O)N1[*:1] c1cc(co1)C[NH+]1CCN(CC1)CC[*:1]
COC(=O)c1ccc(C[NH+](C)CC(=O)Nc2cccc(C)c2C)cc1F COC(=O)[*:1] Cc1cccc(NC(=O)C[NH+](C)Cc2ccc(c(F)c2)[*:1])c1C
COC(=O)c1ccc(C[NH+](C)CC(=O)Nc2cccc(C)c2C)cc1F Cc1cccc(c1C)[*:1] COC(=O)c1ccc(cc1F)C[NH+](C)CC(=O)N[*:1]
CCOC(=O)[C@@]1(NC)CC[C@H](n2nc(C)c(Cl)c2C)C1 CCOC(=O)[*:1] CN[C@]1(CC[C@@H](C1)n1nc(C)c(Cl)c1C)[*:1]
C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](NC(=O)c1cc(Cl)c2OCCCOc2c1)[*:1]
C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)c1cc(Cl)c2OCCCOc2c1)C(=O)N[*:1]
Cc1c(C(=O)NCCCc2n[nH]c(=O)[nH]2)oc2ccc(Br)cc12 O=c1[nH]nc([nH]1)[*:1] Cc1c(oc2ccc(Br)cc12)C(=O)NCCC[*:1]
Cc1c(C(=O)NCCCc2n[nH]c(=O)[nH]2)oc2ccc(Br)cc12 O=c1[nH]nc(C[*:1])[nH]1 Cc1c(oc2ccc(Br)cc12)C(=O)NCC[*:1]
COc1ccc(OC)c(-c2cc(C(=O)NCc3cc(-c4ccco4)n(C)n3)n(C)n2)c1 c1coc(c1)[*:1] COc1ccc(OC)c(c1)-c1cc(C(=O)NCc2cc(n(C)n2)[*:1])n(C)n1
COc1ccc(OC)c(-c2cc(C(=O)NCc3cc(-c4ccco4)n(C)n3)n(C)n2)c1 COc1ccc(OC)c(c1)[*:1] Cn1nc(cc1C(=O)NCc1cc(-c2ccco2)n(C)n1)[*:1]
CC(C)(C)[C@@H]1CC[C@@H](O)[C@H](Cc2cn3ccccc3[nH+]2)C1 CC(C)(C)[*:1] O[C@@H]1CC[C@H](C[C@H]1Cc1cn2ccccc2[nH+]1)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCn1cc(cn1)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 CC(C)[*:1] C[C@@H]1CC[C@@H]([C@@H](C1)[NH2+]CCn1cc(cn1)[N+](=O)[O-])[*:1]
Cc1ccc(CC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cn1 Cc1ccc(cn1)[*:1] O=C(NC1CC1)c1ccc(cc1)CN(C(=O)C[*:1])C1CC1
Cc1ccc(CC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cn1 O=C(NC1CC1)[*:1] Cc1ccc(cn1)CC(=O)N(Cc1ccc(cc1)[*:1])C1CC1
Cc1ccc(CC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cn1 C1CC1[*:1] Cc1ccc(cn1)CC(=O)N(Cc1ccc(cc1)C(=O)N[*:1])C1CC1
Cc1ccc(CC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cn1 Cc1ccc(cn1)C[*:1] O=C(NC1CC1)c1ccc(cc1)CN(C(=O)[*:1])C1CC1
Cc1ccc(CC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cn1 C1CC1[*:1] Cc1ccc(cn1)CC(=O)N(Cc1ccc(cc1)C(=O)NC1CC1)[*:1]
O=C(CCc1ccccc1Br)NC[C@H](c1ccccc1Cl)N1CCOCC1 Clc1ccccc1[*:1] O=C(CCc1ccccc1Br)NC[C@H](N1CCOCC1)[*:1]
O=C(CCc1ccccc1Br)NC[C@H](c1ccccc1Cl)N1CCOCC1 Brc1ccccc1CC[*:1] O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[*:1]
O=C(CCc1ccccc1Br)NC[C@H](c1ccccc1Cl)N1CCOCC1 Brc1ccccc1C[*:1] O=C(C[*:1])NC[C@H](c1ccccc1Cl)N1CCOCC1
O=C(CCc1ccccc1Br)NC[C@H](c1ccccc1Cl)N1CCOCC1 C1CN(CCO1)[*:1] O=C(CCc1ccccc1Br)NC[C@H](c1ccccc1Cl)[*:1]
O=C(CCc1ccccc1Br)NC[C@H](c1ccccc1Cl)N1CCOCC1 Brc1ccccc1[*:1] O=C(CC[*:1])NC[C@H](c1ccccc1Cl)N1CCOCC1
CO/N=C/c1ccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)cc1 CON=C[*:1] O=C(NC1CC1)c1cccc(c1)OC(=O)c1ccc(cc1)[*:1]
CO/N=C/c1ccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)cc1 C1CC1[*:1] CO/N=C/c1ccc(cc1)C(=O)Oc1cccc(c1)C(=O)N[*:1]
CO/N=C/c1ccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)cc1 O=C(NC1CC1)[*:1] CO/N=C/c1ccc(cc1)C(=O)Oc1cccc(c1)[*:1]
CC(C)c1ccc(O[C@@H]2CC[C@H](O)C2)cc1 CC(C)[*:1] O[C@H]1CC[C@H](C1)Oc1ccc(cc1)[*:1]
CC(C)CC(C)(C)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CC(C)CC(C)(C)C(=O)N1CCN(CC1)[C@H](C)[*:1]
CC(C)CC(C)(C)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 CC(C)CC(C)(C)[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)[*:1]
CC(C)CC(C)(C)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 CC(C)C[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)C(C)(C)[*:1]
CC(C)CC(C)(C)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 CC(C)[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)C(C)(C)C[*:1]
CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H]1CCCN1C(=O)c1ccccc1C Fc1ccccc1[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)c1ccccc1C)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H]1CCCN1C(=O)c1ccccc1C O=C(C[*:1])Nc1ccccc1F CCn1c(nnc1[C@H]1CCCN1C(=O)c1ccccc1C)S[*:1]
CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H]1CCCN1C(=O)c1ccccc1C O=C(Nc1ccccc1F)[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)c1ccccc1C)SC[*:1]
CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H]1CCCN1C(=O)c1ccccc1C Cc1ccccc1[*:1] CCn1c(nnc1[C@H]1CCCN1C(=O)[*:1])SCC(=O)Nc1ccccc1F
CO[C@H](C)c1cccc(NCc2noc(C(C)C)n2)c1 CC(C)[*:1] CO[C@H](C)c1cccc(c1)NCc1noc(n1)[*:1]
CO[C@H](C)c1cccc(NCc2noc(C(C)C)n2)c1 CO[C@H](C)[*:1] CC(C)c1nc(CNc2cccc(c2)[*:1])no1
COc1ccc(NC(=O)c2cc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)ccc2Cl)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(N[*:1])c1cc(ccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O
C=CCN(Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 Cc1ccsc1[*:1] C=CCN(C[*:1])[C@H]1CCS(=O)(=O)C1
C=CCN(Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 C=CC[*:1] Cc1ccsc1CN([C@H]1CCS(=O)(=O)C1)[*:1]
CCCCc1ccc(NC(=O)C(=O)Nc2cnn(C(C)C)c2)cc1 CCC[*:1] CC(C)n1cc(cn1)NC(=O)C(=O)Nc1ccc(cc1)C[*:1]
CCCCc1ccc(NC(=O)C(=O)Nc2cnn(C(C)C)c2)cc1 CC(C)[*:1] CCCCc1ccc(cc1)NC(=O)C(=O)Nc1cnn(c1)[*:1]
CCCCc1ccc(NC(=O)C(=O)Nc2cnn(C(C)C)c2)cc1 CC(C)n1cc(cn1)[*:1] CCCCc1ccc(cc1)NC(=O)C(=O)N[*:1]
CCCCc1ccc(NC(=O)C(=O)Nc2cnn(C(C)C)c2)cc1 CCCC[*:1] CC(C)n1cc(cn1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
N#Cc1c[nH]c(C(=O)NCc2cc(Br)c3c(c2)OCO3)c1 N#Cc1c[nH]c(c1)[*:1] O=C(NCc1cc(Br)c2OCOc2c1)[*:1]
Cc1cccc(NC(=O)NC[C@](C)(O)c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(NC(=O)NC[C@](C)(O)[*:1])c1C
Cn1/c(=N/C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)sc2cc(F)ccc21 c1csc(c1)[*:1] Cn1/c(=N/C(=O)[C@@H]2CCCCN2S(=O)(=O)[*:1])sc2cc(F)ccc21
CC[C@@H](C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCC3 CC[C@@H](C)[*:1] O=C(N[*:1])c1ccc2c(=O)n3CCCCc3nc2c1
CC[C@@H](C)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCC3 CC[C@@H](C)NC(=O)[*:1] O=c1c2ccc(cc2nc2CCCCn21)[*:1]
Cc1nonc1OCCNC(=O)C[C@@H]1CCc2ccccc21 Cc1nonc1[*:1] O=C(C[C@@H]1CCc2ccccc21)NCCO[*:1]
Cc1nonc1OCCNC(=O)C[C@@H]1CCc2ccccc21 Cc1nonc1O[*:1] O=C(C[C@@H]1CCc2ccccc21)NCC[*:1]
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(Oc3ncccn3)cc2)C(=O)C1 c1cnc(nc1)[*:1] CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(cc2)O[*:1])C(=O)C1
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(Oc3ncccn3)cc2)C(=O)C1 CC(C)(C)[*:1] O=C(CN1CCN(CC1=O)C(=O)O[*:1])Nc1ccc(cc1)Oc1ncccn1
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(Oc3ncccn3)cc2)C(=O)C1 c1cnc(nc1)O[*:1] CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(cc2)[*:1])C(=O)C1
CC(C)CSCC(=O)Nc1ccc(N)cc1Br CC(C)[*:1] Nc1ccc(NC(=O)CSC[*:1])c(Br)c1
CC(C)CSCC(=O)Nc1ccc(N)cc1Br CC(C)CS[*:1] Nc1ccc(NC(=O)C[*:1])c(Br)c1
CC(C)CSCC(=O)Nc1ccc(N)cc1Br CC(C)C[*:1] Nc1ccc(NC(=O)CS[*:1])c(Br)c1
CCCNC(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 CCC[*:1] CC(=O)Nc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
CCCNC(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 CC(=O)N[*:1] CCCNC(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCCNC(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 CCCNC(=O)[*:1] CC(=O)Nc1ccc(cc1)N1C[C@H](CC1=O)[*:1]
COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1Cn1nc(C)c(Br)c1C Cc1nn(c(C)c1Br)[*:1] COc1ccc(cc1C[*:1])[C@@H]1[NH2+][C@@H](CS1)C(=O)[O-]
COC(=O)C1=C(C)C(C(=O)CN(C)Cc2nc3ccccc3s2)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)CN(C)Cc1nc2ccccc2s1
O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2c(s1)C[S@@](=O)C2 c1ccc(cc1)[*:1] O=C(NCCC(c1ccccc1)[*:1])c1cc2C[S@](=O)Cc2s1
Cc1nc(NC(=O)c2ccc(F)cc2)sc1Cc1ccc([N+](=O)[O-])cc1 Fc1ccc(cc1)[*:1] Cc1nc(NC(=O)[*:1])sc1Cc1ccc(cc1)[N+](=O)[O-]
Cc1nc(NC(=O)c2ccc(F)cc2)sc1Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1nc(NC(=O)c2ccc(F)cc2)sc1Cc1ccc(cc1)[*:1]
COc1cccc(CNC(=O)[C@H](C)OC(=O)c2cccnc2)c1 c1cncc(c1)[*:1] COc1cccc(c1)CNC(=O)[C@H](C)OC(=O)[*:1]
Cc1nn(C)c(C)c1C[C@H](C)n1cncc1-c1ccc2c(c1)CCCN2C Cc1nn(C)c(C)c1C[*:1] C[C@H](n1cncc1-c1ccc2c(c1)CCCN2C)[*:1]
Cc1nn(C)c(C)c1C[C@H](C)n1cncc1-c1ccc2c(c1)CCCN2C Cc1nn(C)c(C)c1[*:1] C[C@@H](C[*:1])n1cncc1-c1ccc2c(c1)CCCN2C
CC1(C)CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)C1 C1CC1[*:1] CC1(C)CCN(C1)C(=O)c1nc(n(n1)-c1ccccc1)[*:1]
CC1(C)CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] CC1(C)CCN(C1)C(=O)c1nc(C2CC2)n(n1)[*:1]
Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCN(CC1)[*:1])-c1onc(C)c1C
Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 Cc1noc(c1C)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1)[*:1]
COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)Cc3ccc(SC)cc3)nc12 CSc1ccc(cc1)[*:1] COc1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)C[*:1]
COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)Cc3ccc(SC)cc3)nc12 CSc1ccc(cc1)C[*:1] COc1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)[*:1]
Cc1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)no1 C1CCC(C1)[*:1] Cc1cc(no1)NC(=O)[C@H](O[*:1])c1ccccc1
Cc1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)no1 C1CCC(C1)O[*:1] Cc1cc(no1)NC(=O)[C@H](c1ccccc1)[*:1]
Cc1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@H](OC1CCCC1)[*:1]
Cc1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])[C@H](OC1CCCC1)c1ccccc1
C=CCN(CC=C)C(=O)CN1CCN(C(C)=O)CC1 C=CC[*:1] C=CCN(C(=O)CN1CCN(CC1)C(C)=O)[*:1]
CC(C)[C@H](SC(=S)N1CCCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 S=C(S[*:1])N1CCCC1 CC(C)[C@H](C(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])[*:1]
CC(C)[C@H](SC(=S)N1CCCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)[C@H](SC(=S)N1CCCC1)C(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)[C@H](SC(=S)N1CCCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CC(C)[*:1] O=C(Nc1ccc(F)c(c1)[N+](=O)[O-])[C@@H](SC(=S)N1CCCC1)[*:1]
Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2cnn(Cc3ccccc3)c2C)on1 Cc1cc(C[*:1])on1 Cc1c(cnn1Cc1ccccc1)C[NH2+][C@@H]1COC[C@H]1[*:1]
Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2cnn(Cc3ccccc3)c2C)on1 c1ccc(cc1)C[*:1] Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2cnn(c2C)[*:1])on1
Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2cnn(Cc3ccccc3)c2C)on1 Cc1cc(on1)[*:1] Cc1c(cnn1Cc1ccccc1)C[NH2+][C@@H]1COC[C@H]1C[*:1]
Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2cnn(Cc3ccccc3)c2C)on1 c1ccc(cc1)[*:1] Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2cnn(C[*:1])c2C)on1
COc1ccc([C@@H]2NN(C)C(C(C)=O)=NN2c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1NN(C)C(=NN1[*:1])C(C)=O
COc1ccc([C@@H]2NN(C)C(C(C)=O)=NN2c2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](NN1C)[*:1]
CCCOc1c(Br)cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC CCCO[*:1] COc1cc(cc(Br)c1[*:1])C(=O)N1C[C@@H](C)O[C@H](C)C1
CCCOc1c(Br)cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC CCC[*:1] COc1cc(cc(Br)c1O[*:1])C(=O)N1C[C@@H](C)O[C@H](C)C1
CNC(=O)c1ccc(OC)c(NCc2ccc(F)cc2F)c1 CNC(=O)[*:1] COc1ccc(cc1NCc1ccc(F)cc1F)[*:1]
Cc1csc([C@H](C)N[C@H]2CCCc3cccnc32)n1 Cc1csc(n1)[*:1] C[C@H](N[C@H]1CCCc2cccnc21)[*:1]
CO[C@H]1CCC[C@H](n2nnc(N)c2C(C)(C)C)C1 CC(C)(C)[*:1] CO[C@H]1CCC[C@@H](C1)n1nnc(N)c1[*:1]
c1ccc2c(NCCN3CCOCC3)nc(-c3ccsc3)nc2c1 c1cc(cs1)[*:1] c1ccc2c(nc(nc2c1)[*:1])NCCN1CCOCC1
c1ccc2c(NCCN3CCOCC3)nc(-c3ccsc3)nc2c1 C1CN(CCO1)C[*:1] c1ccc2c(nc(nc2c1)-c1ccsc1)NC[*:1]
c1ccc2c(NCCN3CCOCC3)nc(-c3ccsc3)nc2c1 C1CN(CCO1)[*:1] c1ccc2c(nc(nc2c1)-c1ccsc1)NCC[*:1]
c1ccc2c(NCCN3CCOCC3)nc(-c3ccsc3)nc2c1 C1CN(CCO1)CC[*:1] c1ccc2c(nc(nc2c1)-c1ccsc1)N[*:1]
COc1nn(C)cc1C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 COc1nn(C)cc1[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
COc1nn(C)cc1C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 C1CO[C@H](C1)[*:1] COc1nn(C)cc1C(=O)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)[C@@H](NC(=O)NC1(c2ccccc2F)CC1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)NC1(CC1)c1ccccc1F)[*:1]
CC(C)[C@@H](NC(=O)NC1(c2ccccc2F)CC1)c1ccccn1 Fc1ccccc1[*:1] CC(C)[C@@H](NC(=O)NC1(CC1)[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)NC1(c2ccccc2F)CC1)c1ccccn1 CC(C)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])NC1(CC1)c1ccccc1F
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[*:1]
CC(C)[C@@H]1CN(C(=O)CCn2cnnc2)CCC(=O)N1Cc1ccc(F)cc1 c1nncn1C[*:1] CC(C)[C@@H]1CN(CCC(=O)N1Cc1ccc(F)cc1)C(=O)C[*:1]
CC(C)[C@@H]1CN(C(=O)CCn2cnnc2)CCC(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H]1CN(CCC(=O)N1C[*:1])C(=O)CCn1cnnc1
CC(C)[C@@H]1CN(C(=O)CCn2cnnc2)CCC(=O)N1Cc1ccc(F)cc1 c1nncn1CC[*:1] CC(C)[C@@H]1CN(CCC(=O)N1Cc1ccc(F)cc1)C(=O)[*:1]
CC(C)[C@@H]1CN(C(=O)CCn2cnnc2)CCC(=O)N1Cc1ccc(F)cc1 CC(C)[*:1] O=C(CCn1cnnc1)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C1)[*:1]
CC(C)[C@@H]1CN(C(=O)CCn2cnnc2)CCC(=O)N1Cc1ccc(F)cc1 c1nncn1[*:1] CC(C)[C@@H]1CN(CCC(=O)N1Cc1ccc(F)cc1)C(=O)CC[*:1]
CC(C)[C@@H]1CN(C(=O)CCn2cnnc2)CCC(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CC(C)[C@@H]1CN(CCC(=O)N1[*:1])C(=O)CCn1cnnc1
O=C(CCC(=O)c1ccc(F)cc1F)Nc1cccnc1N1CCOCC1 Fc1ccc(c(F)c1)[*:1] O=C(CCC(=O)[*:1])Nc1cccnc1N1CCOCC1
O=C(CCC(=O)c1ccc(F)cc1F)Nc1cccnc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(CCC(=O)c1ccc(F)cc1F)Nc1cccnc1[*:1]
Cc1ccc(Nc2[nH+]cnc(NN(c3ccccc3)c3ccccc3)c2N)nc1 Cc1ccc(nc1)N[*:1] Nc1c(nc[nH+]c1[*:1])NN(c1ccccc1)c1ccccc1
Cc1ccc(Nc2[nH+]cnc(NN(c3ccccc3)c3ccccc3)c2N)nc1 c1ccc(cc1)[*:1] Cc1ccc(nc1)Nc1[nH+]cnc(NN(c2ccccc2)[*:1])c1N
Cc1ccc(Nc2[nH+]cnc(NN(c3ccccc3)c3ccccc3)c2N)nc1 Cc1ccc(nc1)[*:1] Nc1c(nc[nH+]c1N[*:1])NN(c1ccccc1)c1ccccc1
O=C(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Nc1cccc2cccnc12)c1ccc(cc1)S(=O)(=O)N[*:1]
CC[C@H](C)n1ncc(C(=O)NCC2(c3ccccc3)CC2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)NCC2(CC2)c2ccccc2)c1[*:1]
CC[C@H](C)n1ncc(C(=O)NCC2(c3ccccc3)CC2)c1C1CC1 c1ccc(cc1)[*:1] CC[C@H](C)n1ncc(C(=O)NCC2(CC2)[*:1])c1C1CC1
CCOc1ccccc1OCCO[C@H]1CCC[C@H]([NH3+])C1 CCO[*:1] [NH3+][C@H]1CCC[C@@H](C1)OCCOc1ccccc1[*:1]
CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CCC2)CCO1 CC(C)[*:1] O=C(C1CCC1)N1CCO[C@](Cc2cccc(c2)-c2ccccc2)(C1)C(=O)N[*:1]
CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CCC2)CCO1 c1ccc(cc1)[*:1] CC(C)NC(=O)[C@@]1(Cc2cccc(c2)[*:1])CN(CCO1)C(=O)C1CCC1
CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CCC2)CCO1 C1CC(C1)[*:1] CC(C)NC(=O)[C@@]1(Cc2cccc(c2)-c2ccccc2)CN(CCO1)C(=O)[*:1]
CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)C2CCC2)CCO1 CC(C)NC(=O)[*:1] O=C(C1CCC1)N1CCO[C@@](Cc2cccc(c2)-c2ccccc2)(C1)[*:1]
Cc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCCO3)C2=O)cc1C C1CO[C@H](C1)[*:1] Cc1ccc(cc1C)N1CC[C@@H](NC(=O)NC[*:1])C1=O
Cc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCCO3)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NC[C@H]1CCCO1)N[C@@H]1CCN(C1=O)[*:1]
Cc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCCO3)C2=O)cc1C C1CO[C@H](C1)C[*:1] Cc1ccc(cc1C)N1CC[C@@H](NC(=O)N[*:1])C1=O
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Cl)cc1Cl COc1ccccc1[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)N[*:1])c1ccc(Cl)cc1Cl
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1[*:1]
c1cncc(-c2nnc(Sc3ncnc4sccc34)o2)c1 c1cncc(c1)[*:1] c1nc(Sc2nnc(o2)[*:1])c2ccsc2n1
CN(C1CC[NH+](CC2=Cc3ccccc3OC2)CC1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] C1=C(COc2ccccc21)C[NH+]1CCC(CC1)[*:1]
O=C(N[C@@H]1CCCNC1=O)c1ccc(CSc2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] O=C(N[C@@H]1CCCNC1=O)c1ccc(cc1)CS[*:1]
Cc1cc([C@H](C)[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 c1cncc(c1)[*:1] Cc1cc(c(C)o1)[C@H](C)[NH2+][C@@H](C)c1sc(nc1C)[*:1]
Cc1cc([C@H](C)[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@@H](C)[*:1])-c1cccnc1
CCn1ccnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1=O NC(=O)[*:1] CCn1ccnc(c1=O)N1CCC(CC1)Oc1ccnc(c1)[*:1]
CC(C)[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)C(N)=O CC(C)[*:1] NC(=O)[C@H](NC(=O)c1ccn(n1)-c1ccc(F)cc1)[*:1]
CC(C)[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)C(N)=O NC(=O)[*:1] CC(C)[C@@H](NC(=O)c1ccn(n1)-c1ccc(F)cc1)[*:1]
CC(C)[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)C(N)=O Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)c1ccn(n1)[*:1])C(N)=O
CC(C)[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)C(N)=O CC(C)[C@@H](C(N)=O)[*:1] O=C(N[*:1])c1ccn(n1)-c1ccc(F)cc1
O=C(NC1CC1)C(=O)N1CCN(CN2C(=O)C[C@@H]2c2ccccc2)CC1 C1CC1[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)CN1C(=O)C[C@@H]1c1ccccc1
O=C(NC1CC1)C(=O)N1CCN(CN2C(=O)C[C@@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NC1CC1)C(=O)N1CCN(CC1)CN1C(=O)C[C@H]1[*:1]
COc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc2N[C@@H](C[C@H](c3ccccc3)n2n1)[*:1])c1ccco1
COc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1 O=C(N[*:1])c1ccco1 COc1ccc(cc1)[C@@H]1C[C@H](c2ccccc2)n2nc(nc2N1)[*:1]
COc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@@H]1C[C@H](c2ccccc2)n2nc(nc2N1)NC(=O)[*:1]
COc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C[C@H](n2nc(nc2N1)NC(=O)c1ccco1)[*:1]
CC1(CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)Cc2ccccc2C1 CC(C)(C)[*:1] CC1(CNC(=O)[C@@H]2CCN(C2)C(=O)O[*:1])Cc2ccccc2C1
COCc1ccc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 COC[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@H]1CC(=O)N(C1)C1CC1
COCc1ccc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 C1CC1[*:1] COCc1ccc(cc1)CNC(=O)N[C@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1 CCOc1ccc(cc1)[*:1] O=C1C[C@H](CNS(=O)(=O)c2cc(F)ccc2F)CN1[*:1]
CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1 CCO[*:1] O=C1C[C@H](CNS(=O)(=O)c2cc(F)ccc2F)CN1c1ccc(cc1)[*:1]
CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1 Fc1ccc(F)c(c1)[*:1] CCOc1ccc(cc1)N1C[C@@H](CNS(=O)(=O)[*:1])CC1=O
O=C1CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CCN1 Clc1cccc(c1)[*:1] O=C1CCN(CCN1)C(=O)N[C@H]1CCN(C1=O)[*:1]
C1CO[C@@H](c2nc(C3CC3)n[nH]2)C1 C1CC1[*:1] C1CO[C@H](C1)c1nc(n[nH]1)[*:1]
C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(-n2cnnn2)c1 Clc1ccc(cc1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1cccc(c1)-n1cnnn1
C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(-n2cnnn2)c1 Clc1ccc(cc1)C[*:1] C[NH+](C)CCN(C(=O)c1cccc(c1)-n1cnnn1)[*:1]
C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(c1)[*:1]
O=C(Nc1cccc(CN2CCOCC2)c1)c1cc2ccccc2c(=O)[nH]1 C1CN(CCO1)[*:1] O=C(Nc1cccc(c1)C[*:1])c1cc2ccccc2c(=O)[nH]1
O=C(Nc1cccc(CN2CCOCC2)c1)c1cc2ccccc2c(=O)[nH]1 C1CN(CCO1)C[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2ccccc2c(=O)[nH]1
CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)c3ccccc3)cc2c1 c1ccc(cc1)[*:1] CCc1ccc2[nH]c(=O)c(cc2c1)CN(C[C@H]1CCCO1)C(=O)[*:1]
CC(C)Oc1cccnc1C(=O)Nc1nc[nH]n1 c1nc(n[nH]1)[*:1] CC(C)Oc1cccnc1C(=O)N[*:1]
CC(C)Oc1cccnc1C(=O)Nc1nc[nH]n1 CC(C)[*:1] O=C(Nc1nc[nH]n1)c1ncccc1O[*:1]
CC(C)Oc1cccnc1C(=O)Nc1nc[nH]n1 CC(C)O[*:1] O=C(Nc1nc[nH]n1)c1ncccc1[*:1]
C[C@H](C(=O)N(C)C)n1c(CCCl)nc2cc(Cl)c(Cl)cc21 CN(C)C(=O)[*:1] C[C@H](n1c(CCCl)nc2cc(Cl)c(Cl)cc21)[*:1]
C[C@H](C(=O)N(C)C)n1c(CCCl)nc2cc(Cl)c(Cl)cc21 ClCC[*:1] C[C@H](C(=O)N(C)C)n1c(nc2cc(Cl)c(Cl)cc21)[*:1]
C[C@H](C(=O)N(C)C)n1c(CCCl)nc2cc(Cl)c(Cl)cc21 C[C@H](C(=O)N(C)C)[*:1] ClCCc1nc2cc(Cl)c(Cl)cc2n1[*:1]
N#Cc1cn(C2CC2)c(=O)n(Cc2ncc(-c3cccs3)o2)c1=O c1csc(c1)[*:1] N#Cc1cn(c(=O)n(Cc2ncc(o2)[*:1])c1=O)C1CC1
N#Cc1cn(C2CC2)c(=O)n(Cc2ncc(-c3cccs3)o2)c1=O C1CC1[*:1] N#Cc1cn(c(=O)n(Cc2ncc(o2)-c2cccs2)c1=O)[*:1]
COc1ccc(CCC(=O)N2CCN(c3ccc(Cl)c(C#N)n3)CC2)cc1 COc1ccc(cc1)C[*:1] N#Cc1nc(ccc1Cl)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(CCC(=O)N2CCN(c3ccc(Cl)c(C#N)n3)CC2)cc1 N#Cc1nc(ccc1Cl)[*:1] COc1ccc(cc1)CCC(=O)N1CCN(CC1)[*:1]
COc1ccc(CCC(=O)N2CCN(c3ccc(Cl)c(C#N)n3)CC2)cc1 COc1ccc(cc1)[*:1] N#Cc1nc(ccc1Cl)N1CCN(CC1)C(=O)CC[*:1]
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c([O-])c2sccc2[nH]c1=O c1ccc(cc1)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1c([O-])c2sccc2[nH]c1=O
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c([O-])c2sccc2[nH]c1=O c1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1c([O-])c2sccc2[nH]c1=O
O=C1CCCC2=C1[C@H](c1ccc(O)cc1)Nc1ccc3ncccc3c12 Oc1ccc(cc1)[*:1] O=C1CCCC2=C1[C@H](Nc1ccc3ncccc3c12)[*:1]
CCc1cnc(CN(C)C(=O)[C@@H]2CC2(Cl)Cl)s1 ClC1(Cl)C[C@H]1[*:1] CCc1cnc(CN(C)C(=O)[*:1])s1
N#Cc1ccc(CCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 N#Cc1ccc(cc1)[*:1] N#C[C@@H](C(=O)CC[*:1])c1nc2ccccc2[nH]1
COC(=O)c1ccc(/C=C/C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1 O=C1CCCN1[*:1] COC(=O)c1ccc(/C=C/C(=O)Nc2cc(ccc2Cl)[*:1])cc1
COC(=O)c1ccc(/C=C/C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cc1 COC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1cc(ccc1Cl)N1CCCC1=O
CCOC(=O)CN(Cc1c(C)nc2sccn12)C1CC1 CCOC(=O)[*:1] Cc1nc2sccn2c1CN(C[*:1])C1CC1
CCOC(=O)CN(Cc1c(C)nc2sccn12)C1CC1 CCOC(=O)C[*:1] Cc1nc2sccn2c1CN(C1CC1)[*:1]
CCOC(=O)CN(Cc1c(C)nc2sccn12)C1CC1 C1CC1[*:1] CCOC(=O)CN(Cc1c(C)nc2sccn12)[*:1]
COc1c(C)cnc(CNC(=O)c2cccc([N+](=O)[O-])c2C)c1C O=[N+]([O-])[*:1] COc1c(C)cnc(CNC(=O)c2cccc(c2C)[*:1])c1C
CCOc1c(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cccc1OC O=C([O-])[*:1] CCOc1c(cccc1OC)CNC(=O)[C@H]1CCCC[C@H]1[*:1]
CCOc1c(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cccc1OC CCO[*:1] COc1cccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1[*:1]
CC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3ccc(C)nc3)CC2)c1 Cc1ccc(cn1)O[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)[*:1]
CC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3ccc(C)nc3)CC2)c1 CC(=O)[*:1] Cc1ccc(cn1)OC1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
CC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3ccc(C)nc3)CC2)c1 Cc1ccc(cn1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)O[*:1]
O=C(CC1CCCC1)Nn1cnc2c(cnn2-c2ccccc2)c1=O C1CCC(C1)[*:1] O=C(C[*:1])Nn1cnc2c(cnn2-c2ccccc2)c1=O
O=C(CC1CCCC1)Nn1cnc2c(cnn2-c2ccccc2)c1=O C1CCC(C1)C[*:1] O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)[*:1]
O=C(CC1CCCC1)Nn1cnc2c(cnn2-c2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(CC1CCCC1)Nn1cnc2c(cnn2[*:1])c1=O
CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 CC[C@@H](C)[*:1] O=C([C@@H]1CC=CCC1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc2ncc(C(=O)Nc3c(F)cccc3N3CCCC3)n2c1 C1CCN(C1)[*:1] Cc1ccc2ncc(C(=O)Nc3c(F)cccc3[*:1])n2c1
Cc1ccc(NC(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@H]1CCC[C@H]2OCC[C@H]12
CC(C)c1noc([C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)n1 CC(C)[*:1] C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)c1nc(no1)[*:1]
CC(C)c1noc([C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)n1 c1ccc(cc1)[*:1] CC(C)c1noc(n1)[C@H](C)Sc1nn(c(=S)s1)[*:1]
C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CCCC[C@@H]1OC[*:1]
C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1 c1ccc(cc1)CO[*:1] C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CCCC[C@H]1[*:1]
C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1 O=C(N1CCOCC1)[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1
C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CCCC[C@@H]1O[*:1]
CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)ccc1O CCO[*:1] Cc1cc(O)c(cc1Cl)-c1[nH]nc2C(=O)N(Cc3cccnc3)[C@@H](c3ccc(O)c(c3)[*:1])c21
CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)ccc1O CCOc1cc(ccc1O)[*:1] Cc1cc(O)c(cc1Cl)-c1[nH]nc2C(=O)N(Cc3cccnc3)[C@H](c21)[*:1]
CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)ccc1O c1cncc(c1)[*:1] CCOc1cc(ccc1O)[C@H]1c2c(n[nH]c2-c2cc(Cl)c(C)cc2O)C(=O)N1C[*:1]
CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)ccc1O c1cncc(c1)C[*:1] CCOc1cc(ccc1O)[C@H]1c2c(n[nH]c2-c2cc(Cl)c(C)cc2O)C(=O)N1[*:1]
CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)ccc1O Cc1cc(O)c(cc1Cl)[*:1] CCOc1cc(ccc1O)[C@H]1c2c(n[nH]c2[*:1])C(=O)N1Cc1cccnc1
Cc1ccccc1-n1nc(C(=O)NCc2ccc(F)cc2)c2c1CCC2 Fc1ccc(cc1)C[*:1] Cc1ccccc1-n1nc(C(=O)N[*:1])c2CCCc21
Cc1ccccc1-n1nc(C(=O)NCc2ccc(F)cc2)c2c1CCC2 Fc1ccc(cc1)[*:1] Cc1ccccc1-n1nc(C(=O)NC[*:1])c2CCCc21
Cc1ccccc1-n1nc(C(=O)NCc2ccc(F)cc2)c2c1CCC2 Cc1ccccc1[*:1] O=C(NCc1ccc(F)cc1)c1nn(c2CCCc12)[*:1]
CCC/C=C/COC(=O)c1ccc(F)cc1 CCC[*:1] O=C(OCC=C[*:1])c1ccc(F)cc1
CCC/C=C/COC(=O)c1ccc(F)cc1 CCCC=C[*:1] O=C(OC[*:1])c1ccc(F)cc1
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc(C)c1C C1CCC(CC1)[*:1] CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)[*:1])sc(C)c1C
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc(C)c1C CNC(=O)[*:1] Cc1sc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C2CCCCC2)c(c1C)[*:1]
CC(C)c1[nH+]ccn1CCC[NH2+][C@H](C)CO CC(C)[*:1] C[C@H](CO)[NH2+]CCCn1cc[nH+]c1[*:1]
CC(C)c1[nH+]ccn1CCC[NH2+][C@H](C)CO C[C@H](CO)[*:1] CC(C)c1[nH+]ccn1CCC[NH2+][*:1]
CCCN(CC(=O)OCC)C(=O)c1oc(C)nc1C CCOC(=O)[*:1] CCCN(C[*:1])C(=O)c1oc(C)nc1C
CCCN(CC(=O)OCC)C(=O)c1oc(C)nc1C CCOC(=O)C[*:1] CCCN(C(=O)c1oc(C)nc1C)[*:1]
CCCN(CC(=O)OCC)C(=O)c1oc(C)nc1C CCC[*:1] CCOC(=O)CN(C(=O)c1oc(C)nc1C)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)s1 c1cnn(c1)[*:1] Cc1ccc(s1)C(=O)N1CCC[C@@H](C1)c1nnc(C[*:1])n1C
Cc1ccc(C(=O)N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)s1 c1cnn(c1)C[*:1] Cc1ccc(s1)C(=O)N1CCC[C@@H](C1)c1nnc(n1C)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)s1 Cc1ccc(s1)[*:1] Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(C1)C(=O)[*:1]
Cc1sc(NC(=O)C[NH+]2CCC(OC3CCOCC3)CC2)c(C)c1C Cc1sc(c(C)c1C)[*:1] O=C(C[NH+]1CCC(CC1)OC1CCOCC1)N[*:1]
Cc1sc(NC(=O)C[NH+]2CCC(OC3CCOCC3)CC2)c(C)c1C C1CC(CCO1)[*:1] Cc1sc(NC(=O)C[NH+]2CCC(CC2)O[*:1])c(C)c1C
Cc1sc(NC(=O)C[NH+]2CCC(OC3CCOCC3)CC2)c(C)c1C C1CC(CCO1)O[*:1] Cc1sc(NC(=O)C[NH+]2CCC(CC2)[*:1])c(C)c1C
COc1cccc(CNC(=O)N(C2CC2)[C@H](C)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)CNC(=O)N(C1CC1)[C@H](C)[*:1]
COc1cccc(CNC(=O)N(C2CC2)[C@H](C)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)CNC(=O)N([C@H](C)C1CC1)[*:1]
CCC(=O)N[C@@H](c1ccc(OC)cc1)C1CCOCC1 C1CC(CCO1)[*:1] CCC(=O)N[C@@H](c1ccc(cc1)OC)[*:1]
CCC(=O)N[C@@H](c1ccc(OC)cc1)C1CCOCC1 CCC(=O)N[*:1] COc1ccc(cc1)[C@@H](C1CCOCC1)[*:1]
CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3CCCC[C@H]32)ccn1 CN(C)C(=O)[*:1] O=C(Nc1ccnc(c1)[*:1])C(=O)N1CC[C@H]2CCCC[C@H]21
COc1cccc([C@@H]2CN(C(=O)c3cnn(C)c3)C[C@H]2C(=O)[O-])c1OC O=C([O-])[*:1] COc1cccc(c1OC)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cnn(C)c1
COc1cccc([C@@H]2CN(C(=O)c3cnn(C)c3)C[C@H]2C(=O)[O-])c1OC Cn1cc(cn1)[*:1] COc1cccc(c1OC)[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)[*:1]
COC(=O)C1=C[C@H]2CN(C(=O)c3c[nH]c(=O)c(Cl)c3)CCN2N1 COC(=O)[*:1] O=C(c1c[nH]c(=O)c(Cl)c1)N1CCN2NC(=C[C@H]2C1)[*:1]
C#CCN(CC(=O)[O-])C(=O)c1cccnc1C O=C([O-])[*:1] C#CCN(C[*:1])C(=O)c1cccnc1C
C#CCN(CC(=O)[O-])C(=O)c1cccnc1C O=C([O-])C[*:1] C#CCN(C(=O)c1cccnc1C)[*:1]
C#CCN(CC(=O)[O-])C(=O)c1cccnc1C C#CC[*:1] Cc1ncccc1C(=O)N(CC(=O)[O-])[*:1]
COc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC1CCCC1 C1CCC(C1)O[*:1] COc1ccc(cc1[*:1])NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C
COc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC1CCCC1 C1CCC(C1)[*:1] COc1ccc(cc1O[*:1])NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C
CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)Cc1ccccc1OC COc1ccccc1[*:1] CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)C[*:1]
CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)Cc1ccccc1OC COc1ccccc1C[*:1] CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)[*:1]
CC(C)C[C@H]1CN(Cc2nccs2)[C@@H](C)CC[NH2+]1 c1csc(C[*:1])n1 CC(C)C[C@H]1CN([C@@H](C)CC[NH2+]1)[*:1]
CC(C)C[C@H]1CN(Cc2nccs2)[C@@H](C)CC[NH2+]1 CC(C)C[*:1] C[C@H]1CC[NH2+][C@H](CN1Cc1nccs1)[*:1]
CC(C)C[C@H]1CN(Cc2nccs2)[C@@H](C)CC[NH2+]1 CC(C)[*:1] C[C@H]1CC[NH2+][C@H](CN1Cc1nccs1)C[*:1]
CC(C)C[C@H]1CN(Cc2nccs2)[C@@H](C)CC[NH2+]1 c1csc(n1)[*:1] CC(C)C[C@H]1CN(C[*:1])[C@@H](C)CC[NH2+]1
C[C@@H]1C(=O)[NH+]=c2ccccc2=C1C(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] C[C@@H]1C(=O)[NH+]=c2ccccc2=C1C(=O)N1CCC(CC1)[*:1]
COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3OC)c2=O)c1 COc1ccccc1[*:1] COc1cccc(c1)-n1c(=O)[nH]cc(C(=O)N[*:1])c1=O
COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3OC)c2=O)c1 COc1cccc(c1)[*:1] COc1ccccc1NC(=O)c1c[nH]c(=O)n(c1=O)[*:1]
COc1cc(F)cc(CNC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1 COc1cc(F)cc(c1)[*:1] O=C(NC[*:1])N[C@H](C[C@@H]1CCOC1)c1ccccc1
COc1cc(F)cc(CNC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cc(F)cc(c1)CNC(=O)N[C@H](C[C@@H]1CCOC1)[*:1]
CCn1cc[nH+]c1-c1cccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)c1 C1CO[C@@H](C1)[*:1] CCn1cc[nH+]c1-c1cccc(c1)NC(=O)c1cnc(s1)[*:1]
CC1(C)OC[C@H](COC(=O)Cc2csc(Cc3ccc(F)cc3)n2)O1 Fc1ccc(cc1)[*:1] CC1(C)OC[C@H](COC(=O)Cc2csc(C[*:1])n2)O1
CC1(C)OC[C@H](COC(=O)Cc2csc(Cc3ccc(F)cc3)n2)O1 Fc1ccc(cc1)C[*:1] CC1(C)OC[C@H](COC(=O)Cc2csc(n2)[*:1])O1
CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 CCCCOc1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1[C@H]1CCS(=O)(=O)C1)[*:1]
CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 CCCC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(cc2)O[*:1])N1[C@H]1CCS(=O)(=O)C1
CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 CCC[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(cc2)OC[*:1])N1[C@H]1CCS(=O)(=O)C1
CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 CCCCO[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(cc2)[*:1])N1[C@H]1CCS(=O)(=O)C1
Cc1cc(C)c(NNC(=O)[C@@H]2C[C@@H]2C)c(C)c1 C[C@H]1C[C@H]1[*:1] Cc1cc(C)c(NNC(=O)[*:1])c(C)c1
CC(C)(C)NC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=S)NC(=O)C=C[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(F)cc1 Fc1ccc(C=C[*:1])cc1 CC(C)(C)NC(=O)c1ccccc1NC(=S)NC(=O)[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(F)cc1 CC(C)(C)[*:1] O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccccc1C(=O)N[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(F)cc1 CC(C)(C)NC(=O)[*:1] O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccccc1[*:1]
CC[C@](C)(O)[C@]1(C[NH3+])CCCc2ccccc21 CC[C@](C)(O)[*:1] [NH3+]C[C@@]1(CCCc2ccccc21)[*:1]
CC(C)(C)[C@@H](C#N)NC(=O)c1ccncc1F CC(C)(C)[*:1] N#C[C@@H](NC(=O)c1ccncc1F)[*:1]
O=C(NCCNC(=O)C1CC1)c1cc2ccccc2oc1=O C1CC1[*:1] O=C(NCCNC(=O)[*:1])c1cc2ccccc2oc1=O
O=C(NCCNC(=O)C1CC1)c1cc2ccccc2oc1=O O=C(NC[*:1])C1CC1 O=C(NC[*:1])c1cc2ccccc2oc1=O
O=C(NCCNC(=O)C1CC1)c1cc2ccccc2oc1=O O=C(N[*:1])C1CC1 O=C(NCC[*:1])c1cc2ccccc2oc1=O
Cc1cc(C)n(C[C@H](C)[NH2+]C2CCN(C(=O)Nc3ccccc3)CC2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C[*:1])[NH2+]C1CCN(CC1)C(=O)Nc1ccccc1
Cc1cc(C)n(C[C@H](C)[NH2+]C2CCN(C(=O)Nc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(C[C@H](C)[NH2+]C2CCN(CC2)C(=O)N[*:1])n1
Cc1cc(C)n(C[C@H](C)[NH2+]C2CCN(C(=O)Nc3ccccc3)CC2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H]([NH2+]C1CCN(CC1)C(=O)Nc1ccccc1)[*:1]
C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3sccc32)C(=O)N1CCC[NH+]1CCCCC1 O=C(NC1CCCCCC1)[*:1] C[C@@]1(Cn2c(cc3sccc32)C(=O)N1CCC[NH+]1CCCCC1)[*:1]
C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3sccc32)C(=O)N1CCC[NH+]1CCCCC1 C1CCCC(CC1)[*:1] C[C@@]1(Cn2c(cc3sccc32)C(=O)N1CCC[NH+]1CCCCC1)C(=O)N[*:1]
CCCC1(C[NH2+][C@H](C)CC2CCOCC2)CCC1 C1CC(CCO1)[*:1] CCCC1(CCC1)C[NH2+][C@H](C)C[*:1]
CCCC1(C[NH2+][C@H](C)CC2CCOCC2)CCC1 CCC[*:1] C[C@H](CC1CCOCC1)[NH2+]CC1(CCC1)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)C(=O)NC(=S)Nc1ccccc1[*:1]
Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)o1 Cc1ccc(o1)[*:1] O=C(NC(=S)Nc1ccccc1C(F)(F)F)[*:1]
COc1ccc(OCCOC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 COc1ccc(cc1)[*:1] O=C1O[C@H](Cc2ccccc21)C(=O)OCCO[*:1]
COc1ncccc1CNC(=O)NC[C@@H](O)c1ccc2ccccc2c1 COc1ncccc1[*:1] O=C(NC[C@@H](O)c1ccc2ccccc2c1)NC[*:1]
CCN(C(=O)CCSc1ccccn1)c1cccnc1 c1ccc(nc1)[*:1] CCN(C(=O)CCS[*:1])c1cccnc1
CCN(C(=O)CCSc1ccccn1)c1cccnc1 c1cncc(c1)[*:1] CCN(C(=O)CCSc1ccccn1)[*:1]
Cc1ccccc1[C@@H]1N[C@@H](C(=O)[O-])CC2=c3ccccc3=[NH+][C@@H]21 O=C([O-])[*:1] Cc1ccccc1[C@@H]1N[C@@H](CC2=c3ccccc3=[NH+][C@@H]21)[*:1]
Cc1ccccc1[C@@H]1N[C@@H](C(=O)[O-])CC2=c3ccccc3=[NH+][C@@H]21 Cc1ccccc1[*:1] O=C([O-])[C@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H](N1)[*:1]
Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 Cc1cc(C)n(C[*:1])n1 O=C(c1ccc(Br)cc1)N1CCN(CC1)C[*:1]
Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 Brc1ccc(cc1)[*:1] Cc1cc(C)n(CCN2CCN(CC2)C(=O)[*:1])n1
Cc1cc(C)n(CCN2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 Cc1cc(C)n(n1)[*:1] O=C(c1ccc(Br)cc1)N1CCN(CC1)CC[*:1]
CC(=O)c1ccnc(N2C[C@@H](C)C[C@H](C)C2)c1 CC(=O)[*:1] C[C@H]1C[C@H](C)CN(C1)c1cc(ccn1)[*:1]
COc1ccc(NC(=O)/C(C#N)=C([O-])\C=C(\C)c2cccc(OC)c2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)/C(C#N)=C(/[O-])C=C(C)[*:1]
COc1ccc(NC(=O)/C(C#N)=C([O-])\C=C(\C)c2cccc(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)/C(C)=C\C([O-])=C(\C#N)C(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 c1ccc(cc1)CO[*:1] Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 c1ccc(cc1)C[*:1] Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)O[*:1]
Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 Cc1c(Cl)cccc1[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc(cc1)OCc1ccccc1
Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(cc1)OC[*:1]
CCOc1nc(-c2ccccc2)c(C[NH2+]C2CC2)s1 c1ccc(cc1)[*:1] CCOc1nc(c(C[NH2+]C2CC2)s1)[*:1]
CCOc1nc(-c2ccccc2)c(C[NH2+]C2CC2)s1 C1CC1[*:1] CCOc1nc(-c2ccccc2)c(C[NH2+][*:1])s1
CCOc1nc(-c2ccccc2)c(C[NH2+]C2CC2)s1 CCO[*:1] c1ccc(cc1)-c1nc(sc1C[NH2+]C1CC1)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ncn(CC(=O)N(C)C)n1 c1cc(cs1)C[*:1] C[C@H](N(C)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ncn(CC(=O)N(C)C)n1 C[C@H](Cc1ccsc1)[*:1] CN(C)C(=O)Cn1cnc(n1)NC(=O)N(C)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ncn(CC(=O)N(C)C)n1 CN(C)C(=O)C[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ncn(n1)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ncn(CC(=O)N(C)C)n1 c1cc(cs1)[*:1] C[C@H](C[*:1])N(C)C(=O)Nc1ncn(CC(=O)N(C)C)n1
C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ncn(CC(=O)N(C)C)n1 CN(C)C(=O)[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ncn(C[*:1])n1
O=C(CCC(=O)c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=C(C[*:1])c1ccccc1 O=C(C[*:1])Nc1nc(cs1)-c1cccc(c1)[N+](=O)[O-]
O=C(CCC(=O)c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(CCC(=O)c1ccccc1)Nc1nc(cs1)[*:1]
O=C(CCC(=O)c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 c1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])Nc1nc(cs1)-c1cccc(c1)[N+](=O)[O-]
O=C(CCC(=O)c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=[N+]([O-])[*:1] O=C(CCC(=O)c1ccccc1)Nc1nc(cs1)-c1cccc(c1)[*:1]
O=C(CCC(=O)c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 O=C(c1ccccc1)[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1cccc(c1)[N+](=O)[O-]
CCN1CCN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] CCN1CCN(CC1)C(=O)N[C@H]1CCN(C1=O)[*:1]
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1cccs1 CC(=O)Oc1cccc(c1)[*:1] COC(=O)C1=C(C)N=c2sc(=C[*:1])c(=O)n2[C@H]1c1cccs1
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1cccs1 c1csc(c1)[*:1] COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(c3)OC(C)=O)c(=O)n2[C@@H]1[*:1]
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1cccs1 CC(=O)O[*:1] COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(c3)[*:1])c(=O)n2[C@H]1c1cccs1
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1cccs1 COC(=O)[*:1] CC(=O)Oc1cccc(/C=c2\sc3=NC(C)=C([C@H](c4cccs4)n3c2=O)[*:1])c1
O=S(=O)([N-]c1ccc(F)cc1F)c1cnn(-c2ccccn2)c1 c1ccc(nc1)[*:1] O=S(=O)([N-]c1ccc(F)cc1F)c1cnn(c1)[*:1]
CSc1nc(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c2ccccn12 C1CC1[*:1] CSc1nc(C(=O)N[C@@H](c2nc(no2)[*:1])C(C)C)c2ccccn12
CSc1nc(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c2ccccn12 CC(C)[*:1] CSc1nc(C(=O)N[C@@H](c2nc(no2)C2CC2)[*:1])c2ccccn12
CSc1nc(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)c2ccccn12 C1CC1c1noc(n1)[*:1] CSc1nc(C(=O)N[C@@H](C(C)C)[*:1])c2ccccn12
Cc1ccc(Cn2c(C(=O)NCCc3cccc(F)c3)cc3occc32)cc1 Fc1cccc(c1)C[*:1] Cc1ccc(cc1)Cn1c(cc2occc21)C(=O)NC[*:1]
Cc1ccc(Cn2c(C(=O)NCCc3cccc(F)c3)cc3occc32)cc1 Cc1ccc(cc1)[*:1] O=C(NCCc1cccc(F)c1)c1cc2occc2n1C[*:1]
Cc1ccc(Cn2c(C(=O)NCCc3cccc(F)c3)cc3occc32)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)Cn1c(cc2occc21)C(=O)NCC[*:1]
Cc1ccc(Cn2c(C(=O)NCCc3cccc(F)c3)cc3occc32)cc1 Cc1ccc(cc1)C[*:1] O=C(NCCc1cccc(F)c1)c1cc2occc2n1[*:1]
Cc1ccc(Cn2c(C(=O)NCCc3cccc(F)c3)cc3occc32)cc1 Fc1cccc(c1)CC[*:1] Cc1ccc(cc1)Cn1c(cc2occc21)C(=O)N[*:1]
C[C@@](O)(CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccsc1 c1cc(cs1)[*:1] C[C@@](O)(CNC(=O)CCC(=O)c1ccc2CCCCc2c1)[*:1]
COC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(F)c(F)c1 COC[*:1] C[C@H]([NH2+][C@H](c1ccc(F)c(F)c1)[*:1])c1cnn(C)c1
COC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(F)c(F)c1 Cn1cc(cn1)[*:1] COC[C@H]([NH2+][C@@H](C)[*:1])c1ccc(F)c(F)c1
COC(=O)c1n[nH]c2ccc(NC(=O)N3CCC[C@@H]4CCC[C@@H]43)cc12 COC(=O)[*:1] O=C(Nc1ccc2[nH]nc(c2c1)[*:1])N1CCC[C@@H]2CCC[C@@H]21
O=C(C[C@@H](O)c1ccccc1)NCC(=O)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])NCC(=O)Nc1ccc(F)cc1
O=C(C[C@@H](O)c1ccccc1)NCC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[C@@H](O)c1ccccc1)NCC(=O)N[*:1]
CCOC(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 CCOC(=O)N[*:1] c1cc(ccc1-c1cn2CCSc2n1)[*:1]
CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 CC(=O)N[*:1] C[C@@H](C(=O)N(C)[C@H](C)c1ccc(Cl)cc1)[*:1]
CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 CC(=O)N[C@@H](C)[*:1] C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[*:1]
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2nc(C)sc2C)cc1 Cc1nc(c(C)s1)[*:1] CNS(=O)(=O)c1ccc(cc1)[C@@H](C)[NH2+]C[*:1]
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2nc(C)sc2C)cc1 CNS(=O)(=O)[*:1] Cc1nc(C[NH2+][C@H](C)c2ccc(cc2)[*:1])c(C)s1
O=C(Nc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl O=S(=O)(N1CCCC1)[*:1] O=C(Nc1ccc2OCCOc2c1)c1cc(ccc1Cl)[*:1]
Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1OC(F)F Cc1ccsc1[*:1] O=C(COC(=O)[*:1])Nc1ccccc1OC(F)F
Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1OC(F)F FC(F)O[*:1] Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1[*:1]
Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1OC(F)F FC(F)[*:1] Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1O[*:1]
CC(C)C(=O)N1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1 CC(C)[*:1] N#Cc1ccccc1-c1ccccc1C(=O)NC1CCN(CC1)C(=O)[*:1]
CC(C)C(=O)N1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1 N#Cc1ccccc1[*:1] CC(C)C(=O)N1CCC(CC1)NC(=O)c1ccccc1[*:1]
Cc1cc(NC(=O)[C@H](C)N(C)CCC#N)no1 N#CC[*:1] Cc1cc(no1)NC(=O)[C@H](C)N(C)C[*:1]
Cc1cc(NC(=O)[C@H](C)N(C)CCC#N)no1 N#CCC[*:1] Cc1cc(no1)NC(=O)[C@H](C)N(C)[*:1]
O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)CC1 c1cnn(c1)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)CC1 c1coc(c1)[*:1] O=C([C@H]1CCCN(C1)c1ccc(nn1)-n1cccn1)N1CCN(CC1)C(=O)[*:1]
Cc1ccccc1OCc1ccc(C(=O)NCC2CCC2)o1 C1CC(C1)C[*:1] Cc1ccccc1OCc1ccc(o1)C(=O)N[*:1]
Cc1ccccc1OCc1ccc(C(=O)NCC2CCC2)o1 C1CC(C1)[*:1] Cc1ccccc1OCc1ccc(o1)C(=O)NC[*:1]
Cc1ccccc1OCc1ccc(C(=O)NCC2CCC2)o1 Cc1ccccc1[*:1] O=C(NCC1CCC1)c1ccc(CO[*:1])o1
CCn1cnnc1C1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 CCn1cnnc1[*:1] O=C(CCn1nnc2ccccc2c1=O)N1CCC(CC1)[*:1]
CCc1nn(C)cc1CNC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C c1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)[C@@H](NC(=O)N[*:1])C(C)C
CCc1nn(C)cc1CNC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C CCc1nn(C)cc1[*:1] CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C CC(C)[*:1] CCc1nn(C)cc1CNC(=O)[C@@H](NC(=O)Nc1ccccc1)[*:1]
CCOCCOc1ccccc1C(=O)N1CCO[C@@H](c2ccccc2F)C1 CCOCC[*:1] O=C(c1ccccc1O[*:1])N1CCO[C@H](C1)c1ccccc1F
CCOCCOc1ccccc1C(=O)N1CCO[C@@H](c2ccccc2F)C1 CCO[*:1] O=C(c1ccccc1OCC[*:1])N1CCO[C@H](C1)c1ccccc1F
CCOCCOc1ccccc1C(=O)N1CCO[C@@H](c2ccccc2F)C1 Fc1ccccc1[*:1] CCOCCOc1ccccc1C(=O)N1CCO[C@@H](C1)[*:1]
CCOCCOc1ccccc1C(=O)N1CCO[C@@H](c2ccccc2F)C1 CCOC[*:1] O=C(c1ccccc1OC[*:1])N1CCO[C@H](C1)c1ccccc1F
CCOCCOc1ccccc1C(=O)N1CCO[C@@H](c2ccccc2F)C1 CCOCCO[*:1] O=C(c1ccccc1[*:1])N1CCO[C@H](C1)c1ccccc1F
C[C@H](C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)n1cccn1 CC(C)(C)[*:1] C[C@H](C(=O)Nc1ccc(F)c(c1)S(=O)(=O)N[*:1])n1cccn1
C[C@H](C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)Nc1ccc(F)c(c1)S(=O)(=O)NC(C)(C)C)[*:1]
C[C@H](C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)n1cccn1 CC(C)(C)NS(=O)(=O)[*:1] C[C@H](C(=O)Nc1ccc(F)c(c1)[*:1])n1cccn1
Cc1noc(C)c1N(C)C(=O)Cc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] Cc1noc(C)c1N(C)C(=O)Cc1ccc(cc1)[*:1]
Cc1noc(C)c1N(C)C(=O)Cc1ccc(-n2cnnn2)cc1 Cc1noc(C)c1[*:1] CN(C(=O)Cc1ccc(cc1)-n1cnnn1)[*:1]
O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 Clc1ccccc1[*:1] O=C(N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-])[*:1]
O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 O=[N+]([O-])[*:1] O=C(c1ccccc1Cl)N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[*:1]
O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 C1CN(CCO1)[*:1] O=C(c1ccccc1Cl)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
CCN(CC)C(=O)CN1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 CCN(CC)C(=O)[*:1] O=C(Nc1nc2CCN(Cc2s1)C[*:1])[C@@H]1CCCO1
CCN(CC)C(=O)CN1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 CCN(CC)C(=O)C[*:1] O=C(Nc1nc2CCN(Cc2s1)[*:1])[C@@H]1CCCO1
CCN(CC)C(=O)CN1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 C1CO[C@@H](C1)[*:1] CCN(CC)C(=O)CN1CCc2nc(NC(=O)[*:1])sc2C1
CCN(CC)C(=O)CN1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 O=C(N[*:1])[C@@H]1CCCO1 CCN(CC)C(=O)CN1CCc2nc(sc2C1)[*:1]
Cn1nc(C(=O)NCCc2cccs2)c2ccccc2c1=O c1csc(c1)CC[*:1] Cn1nc(C(=O)N[*:1])c2ccccc2c1=O
Cn1nc(C(=O)NCCc2cccs2)c2ccccc2c1=O c1csc(c1)[*:1] Cn1nc(C(=O)NCC[*:1])c2ccccc2c1=O
Cn1nc(C(=O)NCCc2cccs2)c2ccccc2c1=O c1csc(c1)C[*:1] Cn1nc(C(=O)NC[*:1])c2ccccc2c1=O
CC[C@H]1CCCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] CC[C@H]1CCCCN1[*:1] CN1CCN(CC1)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC[C@H]1CCCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H]1CCCCN1c1ccc(cc1[*:1])S(=O)(=O)N1CCN(C)CC1
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccn(-c2ccc(F)cc2)n1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])c1ccn(n1)-c1ccc(F)cc1
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1ccn(n1)[*:1]
CC(C)(C)c1ncc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CC2)cn1 CC(C)(C)[*:1] O=C(Nc1cnc(nc1)[*:1])C(=O)N[C@H](c1ccccc1)C1CC1
CC(C)(C)c1ncc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CC2)cn1 C1CC1[*:1] CC(C)(C)c1ncc(cn1)NC(=O)C(=O)N[C@H](c1ccccc1)[*:1]
CC(C)(C)c1ncc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CC2)cn1 c1ccc(cc1)[*:1] CC(C)(C)c1ncc(cn1)NC(=O)C(=O)N[C@H](C1CC1)[*:1]
CCN(Cc1ccccn1)C(=O)c1ccccc1OCc1cscn1 c1nc(cs1)[*:1] CCN(Cc1ccccn1)C(=O)c1ccccc1OC[*:1]
CCN(Cc1ccccn1)C(=O)c1ccccc1OCc1cscn1 c1nc(cs1)C[*:1] CCN(Cc1ccccn1)C(=O)c1ccccc1O[*:1]
CCN(Cc1ccccn1)C(=O)c1ccccc1OCc1cscn1 c1ccc(C[*:1])nc1 CCN(C(=O)c1ccccc1OCc1cscn1)[*:1]
CCN(Cc1ccccn1)C(=O)c1ccccc1OCc1cscn1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1ccccc1OCc1cscn1
CCN(Cc1ccccn1)C(=O)c1ccccc1OCc1cscn1 c1nc(cs1)CO[*:1] CCN(Cc1ccccn1)C(=O)c1ccccc1[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@H](O)C(C)(C)C)c(F)c1 CC(C)(C)[*:1] Cc1ccc(NC(=O)C(=O)NC[C@H](O)[*:1])c(F)c1
C[C@H](Oc1ccccc1Cl)C(=O)N1CCCC[C@H]1C(=O)[O-] Clc1ccccc1[*:1] C[C@H](O[*:1])C(=O)N1CCCC[C@H]1C(=O)[O-]
C[C@H](Oc1ccccc1Cl)C(=O)N1CCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H](Oc1ccccc1Cl)C(=O)N1CCCC[C@@H]1[*:1]
COC(=O)c1cccc(NCC2(CC(C)C)CC2)n1 CC(C)[*:1] COC(=O)c1cccc(n1)NCC1(CC1)C[*:1]
COC(=O)c1cccc(NCC2(CC(C)C)CC2)n1 CC(C)C[*:1] COC(=O)c1cccc(n1)NCC1(CC1)[*:1]
COC(=O)c1cccc(NCC2(CC(C)C)CC2)n1 COC(=O)[*:1] CC(C)CC1(CC1)CNc1cccc(n1)[*:1]
CCOC(=O)c1csc(-c2ccccc2N)n1 CCOC(=O)[*:1] Nc1ccccc1-c1nc(cs1)[*:1]
CCNC(=O)C1CC[NH+](C2CCC(C(=O)OCC)CC2)CC1 CCOC(=O)[*:1] CCNC(=O)C1CC[NH+](CC1)C1CCC(CC1)[*:1]
CCNC(=O)C1CC[NH+](C2CCC(C(=O)OCC)CC2)CC1 CCNC(=O)[*:1] CCOC(=O)C1CCC(CC1)[NH+]1CCC(CC1)[*:1]
CC(C)(C)c1ccc(NC(=O)CCC(=O)[O-])cc1 O=C([O-])CC[*:1] CC(C)(C)c1ccc(cc1)NC(=O)[*:1]
CC(C)(C)c1ccc(NC(=O)CCC(=O)[O-])cc1 O=C([O-])[*:1] CC(C)(C)c1ccc(cc1)NC(=O)CC[*:1]
CC(C)(C)c1ccc(NC(=O)CCC(=O)[O-])cc1 O=C([O-])C[*:1] CC(C)(C)c1ccc(cc1)NC(=O)C[*:1]
CC(C)(C)c1ccc(NC(=O)CCC(=O)[O-])cc1 CC(C)(C)[*:1] O=C([O-])CCC(=O)Nc1ccc(cc1)[*:1]
CCc1nc(C(C)(C)OC)[nH]c(=O)c1Br COC(C)(C)[*:1] CCc1nc([nH]c(=O)c1Br)[*:1]
COc1ncccc1C[NH+](CC(=O)[O-])C1CCCC1 C1CCC(C1)[*:1] COc1ncccc1C[NH+](CC(=O)[O-])[*:1]
COc1ncccc1C[NH+](CC(=O)[O-])C1CCCC1 O=C([O-])[*:1] COc1ncccc1C[NH+](C[*:1])C1CCCC1
CCc1nn(C)cc1CNC(=O)N1CCC[C@H]1c1cc(C)cc(C)c1 CCc1nn(C)cc1[*:1] Cc1cc(C)cc(c1)[C@@H]1CCCN1C(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC[C@H]1c1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] CCc1nn(C)cc1CNC(=O)N1CCC[C@@H]1[*:1]
COC[C@@H](O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 COC[C@@H](O)[*:1] O=S1(=O)N=C(c2ccccc21)N1CCN(CC1)C[*:1]
COC[C@@H](O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 COC[C@@H](O)C[*:1] O=S1(=O)N=C(c2ccccc21)N1CCN(CC1)[*:1]
COC[C@@H](O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 COC[*:1] O=S1(=O)N=C(c2ccccc21)N1CCN(CC1)C[C@H](O)[*:1]
COCCn1ccc2ccc(NC(=O)N[C@H](C)[C@@H]3CCCO3)cc21 C1CO[C@@H](C1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)N[C@H](C)[*:1]
COCCn1ccc2ccc(NC(=O)N[C@H](C)[C@@H]3CCCO3)cc21 COCC[*:1] C[C@@H](NC(=O)Nc1ccc2ccn(c2c1)[*:1])[C@@H]1CCCO1
COCCn1ccc2ccc(NC(=O)N[C@H](C)[C@@H]3CCCO3)cc21 COC[*:1] C[C@@H](NC(=O)Nc1ccc2ccn(C[*:1])c2c1)[C@@H]1CCCO1
Cc1cc(F)cc([C@H]([NH3+])Cc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] Cc1cc(F)cc(c1)[C@H]([NH3+])Cc1cccc(c1)[*:1]
CCc1c(C(=O)N(C)CC2CC[NH+](C)CC2)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1c(nnn1[*:1])C(=O)N(C)CC1CC[NH+](C)CC1
CCOC(=O)C(F)(F)c1ccc(OC)c(F)c1 CCOC(=O)[*:1] COc1ccc(cc1F)C(F)(F)[*:1]
C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1 FC(F)(F)[*:1] C[C@@H]1OCC[C@H]1[NH2+][C@@H](C[*:1])c1ccc(Cl)cc1
C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1 FC(F)(F)C[*:1] C[C@@H]1OCC[C@H]1[NH2+][C@@H](c1ccc(Cl)cc1)[*:1]
CC(=O)N[C@H](CC(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)NC[C@H]1COc2ccccc2O1)[*:1]
CC(=O)N[C@H](CC(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 CC(=O)N[*:1] O=C(C[C@H](c1ccccc1)[*:1])NC[C@H]1COc2ccccc2O1
CCN(CC)C(=O)N1CCC(C(=O)NC[C@H](C)Oc2ccccc2C)CC1 Cc1ccccc1O[*:1] CCN(CC)C(=O)N1CCC(CC1)C(=O)NC[C@H](C)[*:1]
CCN(CC)C(=O)N1CCC(C(=O)NC[C@H](C)Oc2ccccc2C)CC1 Cc1ccccc1[*:1] CCN(CC)C(=O)N1CCC(CC1)C(=O)NC[C@H](C)O[*:1]
COc1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)COc2ccc(cc2)C(F)(F)F)c(c1)[*:1]
COc1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 FC(F)(F)[*:1] COc1ccc(NC(=O)COc2ccc(cc2)[*:1])c(c1)[N+](=O)[O-]
COc1nc(N(C)C)sc1/C=C(/CBr)C(C)C CC(C)[*:1] COc1nc(sc1/C=C(/CBr)[*:1])N(C)C
COc1nc(N(C)C)sc1/C=C(/CBr)C(C)C CN(C)[*:1] COc1nc(sc1/C=C(/CBr)C(C)C)[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C#N)c1ccccc1F Fc1ccccc1[*:1] Cc1ccc(cc1S(=O)(=O)N[C@H](C#N)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C#N)c1ccccc1F O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)N[C@H](C#N)c1ccccc1F)[*:1]
COc1ccc(NC2=C(C(C)=O)[C@H](c3ccccc3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 COc1ccc(cc1)N[*:1] CC(=O)C1=C(C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1)[*:1]
COc1ccc(NC2=C(C(C)=O)[C@H](c3ccccc3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 CC(=O)[*:1] COc1ccc(cc1)NC1C[C@@](C)(O)[C@H]([C@H](C=1C(C)=O)c1ccccc1)[*:1]
COc1ccc(NC2=C(C(C)=O)[C@H](c3ccccc3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 COc1ccc(cc1)[*:1] CC(=O)C1=C(C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1)N[*:1]
COc1ccc(NC2=C(C(C)=O)[C@H](c3ccccc3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC1C[C@@](C)(O)[C@H](C(C)=O)[C@@H](C=1C(C)=O)[*:1]
COc1ccc(NC2=C(C(C)=O)[C@H](c3ccccc3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 CC(=O)[*:1] COc1ccc(cc1)NC1C[C@@](C)(O)[C@H](C(C)=O)[C@H](C=1[*:1])c1ccccc1
O=C(NCc1cc(Cl)ccc1OC(F)F)C1CCOCC1 FC(F)[*:1] O=C(NCc1cc(Cl)ccc1O[*:1])C1CCOCC1
O=C(NCc1cc(Cl)ccc1OC(F)F)C1CCOCC1 FC(F)O[*:1] O=C(NCc1cc(Cl)ccc1[*:1])C1CCOCC1
O=C(NCc1cc(Cl)ccc1OC(F)F)C1CCOCC1 C1CC(CCO1)[*:1] O=C(NCc1cc(Cl)ccc1OC(F)F)[*:1]
Cc1ccoc1CN1CCN[C@H](C(=O)N(C)C)C1 CN(C)C(=O)[*:1] Cc1ccoc1CN1CCN[C@H](C1)[*:1]
Cc1ccoc1CN1CCN[C@H](C(=O)N(C)C)C1 Cc1ccoc1[*:1] CN(C)C(=O)[C@@H]1CN(CCN1)C[*:1]
O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 O=c1[nH]c2ccc(cc2[nH]1)[*:1] O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)N[*:1]
O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 Fc1ccc(cc1)[*:1] O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 Clc1ccc(cc1)[*:1] O=C(COC(=O)C(=C[*:1])c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1
C#CCOC(=O)CCNC(=O)OC(C)(C)C CC(C)(C)[*:1] C#CCOC(=O)CCNC(=O)O[*:1]
C#CCOC(=O)CCNC(=O)OC(C)(C)C C#CC[*:1] CC(C)(C)OC(=O)NCCC(=O)O[*:1]
COc1ccc(C(=O)Sc2nccn2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Sc1nccn1[*:1]
CC(C)c1ncc(-c2ccccn2)c(C2CCC(CNC(=O)Cc3ccccn3)CC2)n1 CC(C)[*:1] O=C(Cc1ccccn1)NCC1CCC(CC1)c1nc(ncc1-c1ccccn1)[*:1]
CC(C)c1ncc(-c2ccccn2)c(C2CCC(CNC(=O)Cc3ccccn3)CC2)n1 c1ccc(nc1)[*:1] CC(C)c1ncc(-c2ccccn2)c(n1)C1CCC(CC1)CNC(=O)C[*:1]
CC(C)c1ncc(-c2ccccn2)c(C2CCC(CNC(=O)Cc3ccccn3)CC2)n1 c1ccc(C[*:1])nc1 CC(C)c1ncc(-c2ccccn2)c(n1)C1CCC(CC1)CNC(=O)[*:1]
CC(C)c1ncc(-c2ccccn2)c(C2CCC(CNC(=O)Cc3ccccn3)CC2)n1 c1ccc(nc1)[*:1] CC(C)c1ncc(c(n1)C1CCC(CC1)CNC(=O)Cc1ccccn1)[*:1]
CC(C)c1ncc(-c2ccccn2)c(C2CCC(CNC(=O)Cc3ccccn3)CC2)n1 O=C(Cc1ccccn1)N[*:1] CC(C)c1ncc(-c2ccccn2)c(n1)C1CCC(CC1)C[*:1]
Cc1ccccc1CN(C)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 O=[N+]([O-])[*:1] Cc1ccccc1CN(C)C(=O)CN1CCN(CC1)c1ccc(c2cnccc12)[*:1]
Cc1ccccc1CN(C)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 Cc1ccccc1C[*:1] CN(C(=O)CN1CCN(CC1)c1ccc(c2cnccc12)[N+](=O)[O-])[*:1]
Cc1ccccc1CN(C)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)CN1CCN(CC1)c1ccc(c2cnccc12)[N+](=O)[O-]
Cc1occc1-c1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)o1 Cc1occc1[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)N(C)C1(C#N)CCCCC1
Cc1occc1-c1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)o1 N#CC1(CCCCC1)[*:1] Cc1occc1-c1nnc(o1)S[C@H](C)C(=O)N(C)[*:1]
CCN(CC)C(=O)[C@@H](C)S(=O)(=O)Cc1cc(-c2cccs2)on1 CCN(CC)C(=O)[*:1] C[C@@H](S(=O)(=O)Cc1cc(on1)-c1cccs1)[*:1]
CCN(CC)C(=O)[C@@H](C)S(=O)(=O)Cc1cc(-c2cccs2)on1 c1csc(c1)[*:1] CCN(CC)C(=O)[C@@H](C)S(=O)(=O)Cc1cc(on1)[*:1]
CC(=O)c1cccc(OCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 O=C(C[*:1])N1CCCC1 CC(=O)c1cccc(c1)OCC(=O)N1CCN(CC1)[*:1]
CC(=O)c1cccc(OCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 O=C(N1CCCC1)[*:1] CC(=O)c1cccc(c1)OCC(=O)N1CCN(CC1)C[*:1]
CC(=O)c1cccc(OCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 CC(=O)[*:1] O=C(COc1cccc(c1)[*:1])N1CCN(CC1)CC(=O)N1CCCC1
CC(=O)c1cccc(OCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 CC(=O)c1cccc(c1)[*:1] O=C(CO[*:1])N1CCN(CC1)CC(=O)N1CCCC1
C[C@H](O)[C@@H](C)SCc1nc2ccsc2c(=O)[nH]1 C[C@H](O)[*:1] C[C@@H](SCc1nc2ccsc2c(=O)[nH]1)[*:1]
C[C@H](NC(=S)NNC(=O)c1ccc(Cl)s1)c1ccccc1 Clc1ccc(s1)[*:1] C[C@H](NC(=S)NNC(=O)[*:1])c1ccccc1
C[C@H](NC(=S)NNC(=O)c1ccc(Cl)s1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=S)NNC(=O)c1ccc(Cl)s1)[*:1]
C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)OC[*:1] C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)O[*:1] C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)C[*:1]
C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)CO[*:1]
C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2c(F)cccc2F)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2c(F)cccc2F)C1=O)[*:1]
CCCC(=O)NCCc1cc2ccc(C)cc2[nH]c1=O CCC[*:1] Cc1ccc2cc(CCNC(=O)[*:1])c(=O)[nH]c2c1
CCCC(=O)NCCc1cc2ccc(C)cc2[nH]c1=O CCCC(=O)N[*:1] Cc1ccc2cc(CC[*:1])c(=O)[nH]c2c1
CC(C)(C)[C@@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1)[*:1]
CC(C)(C)[C@@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)(C)[C@@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)(C)[C@@H](NC(=O)NC[*:1])c1ccccc1
Cc1cccc([C@@H]2C(=O)NC(=O)C[C@H]2C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@@H]1C(=O)NC(=O)C[C@@H]1[*:1]
C[NH+](C)[C@@H]1CCCN(c2ncnc3c2CCN(Cc2ccco2)CC3)C1 c1coc(c1)C[*:1] C[NH+](C)[C@@H]1CCCN(C1)c1ncnc2CCN(CCc21)[*:1]
C[NH+](C)[C@@H]1CCCN(c2ncnc3c2CCN(Cc2ccco2)CC3)C1 c1coc(c1)[*:1] C[NH+](C)[C@@H]1CCCN(C1)c1ncnc2CCN(CCc21)C[*:1]
CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NS(=O)(=O)c3cccs3)c(=O)n1C2 O=S(=O)(N[*:1])c1cccs1 CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(c(=O)n1C2)[*:1]
CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NS(=O)(=O)c3cccs3)c(=O)n1C2 c1csc(c1)[*:1] CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NS(=O)(=O)[*:1])c(=O)n1C2
Cc1ccc(NC(=O)NCCn2ncnn2)cc1 c1nnn(n1)[*:1] Cc1ccc(cc1)NC(=O)NCC[*:1]
Cc1ccc(NC(=O)NCCn2ncnn2)cc1 c1nnn(C[*:1])n1 Cc1ccc(cc1)NC(=O)NC[*:1]
COc1cc(F)cc(CNC(=O)C[C@H](C)NC(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] COc1cc(F)cc(c1)CNC(=O)C[C@H](C)NC(=O)[*:1]
COCCN(CC(=O)N(C)C)C(=O)c1[nH]nc(C2CC2)c1Cl CN(C)C(=O)C[*:1] COCCN(C(=O)c1[nH]nc(c1Cl)C1CC1)[*:1]
COCCN(CC(=O)N(C)C)C(=O)c1[nH]nc(C2CC2)c1Cl COC[*:1] CN(C)C(=O)CN(C[*:1])C(=O)c1[nH]nc(c1Cl)C1CC1
COCCN(CC(=O)N(C)C)C(=O)c1[nH]nc(C2CC2)c1Cl COCC[*:1] CN(C)C(=O)CN(C(=O)c1[nH]nc(c1Cl)C1CC1)[*:1]
COCCN(CC(=O)N(C)C)C(=O)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] COCCN(CC(=O)N(C)C)C(=O)c1[nH]nc(c1Cl)[*:1]
COCCN(CC(=O)N(C)C)C(=O)c1[nH]nc(C2CC2)c1Cl CN(C)C(=O)[*:1] COCCN(C[*:1])C(=O)c1[nH]nc(c1Cl)C1CC1
CCOc1ccc(-n2nnnc2CNC(=O)c2ccccc2)cc1 CCO[*:1] O=C(NCc1nnnn1-c1ccc(cc1)[*:1])c1ccccc1
CCOc1ccc(-n2nnnc2CNC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1nnnc1CNC(=O)[*:1]
Cc1nc(-c2cccc(C(=O)N(CCC(F)(F)F)CC3CC3)c2)n[nH]1 FC(F)(F)C[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)N(CC1CC1)C[*:1]
Cc1nc(-c2cccc(C(=O)N(CCC(F)(F)F)CC3CC3)c2)n[nH]1 FC(F)(F)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)N(CC[*:1])CC1CC1
Cc1nc(-c2cccc(C(=O)N(CCC(F)(F)F)CC3CC3)c2)n[nH]1 FC(F)(F)CC[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)N(CC1CC1)[*:1]
Cc1nc(-c2cccc(C(=O)N(CCC(F)(F)F)CC3CC3)c2)n[nH]1 C1CC1C[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)N(CCC(F)(F)F)[*:1]
Cc1nc(-c2cccc(C(=O)N(CCC(F)(F)F)CC3CC3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(c1cccc(c1)[*:1])N(CCC(F)(F)F)CC1CC1
Cc1nc(-c2cccc(C(=O)N(CCC(F)(F)F)CC3CC3)c2)n[nH]1 C1CC1[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)N(CCC(F)(F)F)C[*:1]
Cc1noc(CCCNC(=O)N[C@@H](c2ccccc2)c2ccco2)n1 c1ccc(cc1)[*:1] Cc1noc(CCCNC(=O)N[C@@H](c2ccco2)[*:1])n1
Cc1noc(CCCNC(=O)N[C@@H](c2ccccc2)c2ccco2)n1 Cc1noc(n1)[*:1] O=C(NCCC[*:1])N[C@@H](c1ccccc1)c1ccco1
Cc1noc(CCCNC(=O)N[C@@H](c2ccccc2)c2ccco2)n1 Cc1noc(CC[*:1])n1 O=C(NC[*:1])N[C@@H](c1ccccc1)c1ccco1
Cc1noc(CCCNC(=O)N[C@@H](c2ccccc2)c2ccco2)n1 Cc1noc(C[*:1])n1 O=C(NCC[*:1])N[C@@H](c1ccccc1)c1ccco1
Cc1noc(CCCNC(=O)N[C@@H](c2ccccc2)c2ccco2)n1 c1coc(c1)[*:1] Cc1noc(CCCNC(=O)N[C@@H](c2ccccc2)[*:1])n1
COc1cccc(N2C[C@H](NC(=O)COc3cccc(N(C)C)c3)CC2=O)c1 COc1cccc(c1)[*:1] CN(C)c1cccc(c1)OCC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
COc1cccc(N2C[C@H](NC(=O)COc3cccc(N(C)C)c3)CC2=O)c1 CN(C)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)NC(=O)COc1cccc(c1)[*:1]
COc1cccc(N2C[C@H](NC(=O)COc3cccc(N(C)C)c3)CC2=O)c1 CN(C)c1cccc(c1)[*:1] COc1cccc(c1)N1C[C@@H](CC1=O)NC(=O)CO[*:1]
COCc1cccc(CNC(=O)C[NH+]2CCCSCC2)c1 COC[*:1] O=C(C[NH+]1CCCSCC1)NCc1cccc(c1)[*:1]
COc1ccc(CC[C@]2(C)NC(=O)N(Cc3cccc(C#N)c3)C2=O)cc1 N#Cc1cccc(c1)C[*:1] COc1ccc(cc1)CC[C@]1(C)NC(=O)N(C1=O)[*:1]
COc1ccc(CC[C@]2(C)NC(=O)N(Cc3cccc(C#N)c3)C2=O)cc1 N#Cc1cccc(c1)[*:1] COc1ccc(cc1)CC[C@]1(C)NC(=O)N(C[*:1])C1=O
COc1ccc(CC[C@]2(C)NC(=O)N(Cc3cccc(C#N)c3)C2=O)cc1 COc1ccc(cc1)[*:1] C[C@@]1(CC[*:1])NC(=O)N(Cc2cccc(C#N)c2)C1=O
COc1ccc(CC[C@]2(C)NC(=O)N(Cc3cccc(C#N)c3)C2=O)cc1 COc1ccc(cc1)C[*:1] C[C@@]1(C[*:1])NC(=O)N(Cc2cccc(C#N)c2)C1=O
O=C(NCC(F)(F)F)c1ccnc(OC2CCCCC2)c1 FC(F)(F)[*:1] O=C(NC[*:1])c1ccnc(c1)OC1CCCCC1
O=C(NCC(F)(F)F)c1ccnc(OC2CCCCC2)c1 FC(F)(F)C[*:1] O=C(N[*:1])c1ccnc(c1)OC1CCCCC1
O=C(NCC(F)(F)F)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] O=C(NCC(F)(F)F)c1ccnc(c1)[*:1]
O=C(NCC(F)(F)F)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] O=C(NCC(F)(F)F)c1ccnc(c1)O[*:1]
CNC(=O)C1(c2ccc(Cl)cc2)CCC1 CNC(=O)[*:1] Clc1ccc(cc1)C1(CCC1)[*:1]
CC(=O)Nc1cc(C(=O)/N=C(\NC[C@H]2CCCO2)Nc2ccc3c(c2)OCCO3)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)/N=C(\NC[C@H]1CCCO1)Nc1ccc2OCCOc2c1
CC(=O)Nc1cc(C(=O)/N=C(\NC[C@H]2CCCO2)Nc2ccc3c(c2)OCCO3)ccc1C c1cc2OCCOc2cc1[*:1] CC(=O)Nc1cc(ccc1C)C(=O)/N=C(\NC[C@H]1CCCO1)N[*:1]
CC(=O)Nc1cc(C(=O)/N=C(\NC[C@H]2CCCO2)Nc2ccc3c(c2)OCCO3)ccc1C CC(=O)Nc1cc(ccc1C)[*:1] O=C(/N=C(\NC[C@H]1CCCO1)Nc1ccc2OCCOc2c1)[*:1]
CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)COC)CC1 COC[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CC1)C(=O)[*:1]
CC1(C)C(=O)[C@]2(C(=O)NNC(=O)c3ccccc3)CC[C@H]1C2 c1ccc(cc1)[*:1] CC1(C)C(=O)[C@@]2(CC[C@H]1C2)C(=O)NNC(=O)[*:1]
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 C1CN(CCO1)[*:1] O=C(NC[C@@H](c1ccc(F)cc1)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(c1)[*:1]
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[*:1]
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1cccc(c1)[N+](=O)[O-]
Cc1ccc([C@H]2C(N)=NC(=O)N2C2CC2)cc1F C1CC1[*:1] Cc1ccc(cc1F)[C@H]1C(N)=NC(=O)N1[*:1]
CC[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1c(C)nn(C)c1C c1cc(co1)[*:1] CC[C@H](NC(=O)[C@H](C)NC(=O)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1c(C)nn(C)c1C O=C(N[*:1])c1ccoc1 CC[C@H](NC(=O)[C@H](C)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)[*:1]
COC(=O)c1ncn(CC(=O)N2CCCC[C@H]2C)n1 COC(=O)[*:1] C[C@@H]1CCCCN1C(=O)Cn1cnc(n1)[*:1]
OCc1cc2ccccc2nc1NCCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] OCc1cc2ccccc2nc1NCC[*:1]
Cc1ccsc1CNC(=O)CN1CCC(=O)Nc2ccccc21 Cc1ccsc1[*:1] O=C(CN1CCC(=O)Nc2ccccc21)NC[*:1]
Cc1ccsc1CNC(=O)CN1CCC(=O)Nc2ccccc21 Cc1ccsc1C[*:1] O=C1CCN(CC(=O)N[*:1])c2ccccc2N1
C[C@H]([NH2+]CC1(O)CCCCC1)c1nc2ccc(Cl)cc2n1C OC1(CCCCC1)[*:1] C[C@H]([NH2+]C[*:1])c1nc2ccc(Cl)cc2n1C
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ncc[nH]1)C1=C(CCCC1=O)O2 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c2OC3CCCC(=O)C=3[C@@H](c3ncc[nH]3)c12
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ncc[nH]1)C1=C(CCCC1=O)O2 c1ccc(cc1)C[*:1] Cc1nn(c2OC3CCCC(=O)C=3[C@@H](c3ncc[nH]3)c12)[*:1]
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ncc[nH]1)C1=C(CCCC1=O)O2 c1c[nH]c(n1)[*:1] Cc1nn(Cc2ccccc2)c2OC3CCCC(=O)C=3[C@@H](c12)[*:1]
COc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1N1CCCC1=O c1ccc(cc1)[*:1] COc1ccc(cc1N1CCCC1=O)NC(=O)c1cn(C[*:1])nn1
COc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1N1CCCC1=O O=C1CCCN1[*:1] COc1ccc(cc1[*:1])NC(=O)c1cn(Cc2ccccc2)nn1
COc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1N1CCCC1=O c1ccc(cc1)C[*:1] COc1ccc(cc1N1CCCC1=O)NC(=O)c1cn(nn1)[*:1]
Cc1nc2ccccc2nc1-c1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C#N O=C(c1ccc(Cl)cc1)[*:1] Cc1nc2ccccc2nc1-c1sc(c(N)c1C#N)[*:1]
Cc1nc2ccccc2nc1-c1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C#N Clc1ccc(cc1)[*:1] Cc1nc2ccccc2nc1-c1sc(C(=O)[*:1])c(N)c1C#N
COC(=O)c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2F)c1 COC(=O)[*:1] O=C(Oc1cccc(c1)[*:1])[C@@H]1C[C@H]1c1ccccc1F
COC(=O)c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccccc2F)c1 Fc1ccccc1[*:1] COC(=O)c1cccc(c1)OC(=O)[C@@H]1C[C@@H]1[*:1]
COc1ccc([C@H](CNC(=O)[C@@H](C)OC)[NH+]2CCCC2)cc1 CO[C@H](C)[*:1] COc1ccc(cc1)[C@H](CNC(=O)[*:1])[NH+]1CCCC1
COc1ccc([C@H](CNC(=O)[C@@H](C)OC)[NH+]2CCCC2)cc1 CO[C@H](C)C(=O)N[*:1] COc1ccc(cc1)[C@H](C[*:1])[NH+]1CCCC1
Cc1ccc(NC(=O)CCNC(=O)CSc2ccc(F)c(F)c2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(CSc1ccc(F)c(F)c1)NCCC(=O)N[*:1]
Cc1ccc(NC(=O)CCNC(=O)CSc2ccc(F)c(F)c2)c(Cl)c1 Fc1ccc(cc1F)[*:1] Cc1ccc(NC(=O)CCNC(=O)CS[*:1])c(Cl)c1
Cc1ccc(-n2nnc(C(=O)N3CC[NH+](CC(C)C)CC3)c2C)cc1 CC(C)C[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N2CC[NH+](CC2)[*:1])c1C
Cc1ccc(-n2nnc(C(=O)N3CC[NH+](CC(C)C)CC3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)N1CC[NH+](CC1)CC(C)C
Cc1ccc(-n2nnc(C(=O)N3CC[NH+](CC(C)C)CC3)c2C)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N2CC[NH+](CC2)C[*:1])c1C
CCC(CC)[C@H]1CC(=O)NC(=O)[C@@H]1C(C)C CCC(CC)[*:1] CC(C)[C@H]1C(=O)NC(=O)C[C@@H]1[*:1]
CCC(CC)[C@H]1CC(=O)NC(=O)[C@@H]1C(C)C CC(C)[*:1] CCC(CC)[C@H]1CC(=O)NC(=O)[C@H]1[*:1]
N#C/C(=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[O-] Clc1ccccc1[*:1] N#C/C(=C\c1ccc(O[*:1])c(c1)[N+](=O)[O-])C(=O)[O-]
N#C/C(=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[O-] O=C([O-])[*:1] N#CC(=Cc1ccc(Oc2ccccc2Cl)c(c1)[N+](=O)[O-])[*:1]
N#C/C(=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[O-] O=[N+]([O-])[*:1] N#C/C(=C\c1ccc(Oc2ccccc2Cl)c(c1)[*:1])C(=O)[O-]
N#C/C(=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[O-] N#CC(=C[*:1])C(=O)[O-] O=[N+]([O-])c1cc(ccc1Oc1ccccc1Cl)[*:1]
N#C/C(=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)[O-] Clc1ccccc1O[*:1] N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])[*:1])C(=O)[O-]
CC(=O)/C=C(/[O-])c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)/C=C(/[O-])c1ccc(C)c(c1)[*:1]
CC(=O)/C=C(/[O-])c1ccc(C)c([N+](=O)[O-])c1 CC(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])C([O-])=C[*:1]
CN(Cc1nnc2n1CCC2)C(=O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CN(Cc1nnc2CCCn21)C(=O)c1ccc(cc1)[*:1]
CN1CCN(S(=O)(=O)c2cc(C(=O)NCc3cccnc3)cc(-c3ccccc3)c2)CC1 O=C(NCc1cccnc1)[*:1] CN1CCN(CC1)S(=O)(=O)c1cc(cc(c1)[*:1])-c1ccccc1
CN1CCN(S(=O)(=O)c2cc(C(=O)NCc3cccnc3)cc(-c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] CN1CCN(CC1)S(=O)(=O)c1cc(cc(c1)[*:1])C(=O)NCc1cccnc1
CN1CCN(S(=O)(=O)c2cc(C(=O)NCc3cccnc3)cc(-c3ccccc3)c2)CC1 c1cncc(c1)C[*:1] CN1CCN(CC1)S(=O)(=O)c1cc(cc(c1)-c1ccccc1)C(=O)N[*:1]
CN1CCN(S(=O)(=O)c2cc(C(=O)NCc3cccnc3)cc(-c3ccccc3)c2)CC1 c1cncc(c1)[*:1] CN1CCN(CC1)S(=O)(=O)c1cc(cc(c1)-c1ccccc1)C(=O)NC[*:1]
CN1CCN(S(=O)(=O)c2cc(C(=O)NCc3cccnc3)cc(-c3ccccc3)c2)CC1 CN1CCN(CC1)S(=O)(=O)[*:1] O=C(NCc1cccnc1)c1cc(cc(c1)[*:1])-c1ccccc1
CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccn(C(C)C)n3)sc2c1 CC(C)[*:1] CCOc1ccc2nc(sc2c1)N(Cc1ccccc1)C(=O)c1ccn(n1)[*:1]
CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccn(C(C)C)n3)sc2c1 CC(C)n1ccc(n1)[*:1] CCOc1ccc2nc(sc2c1)N(Cc1ccccc1)C(=O)[*:1]
CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccn(C(C)C)n3)sc2c1 c1ccc(cc1)[*:1] CCOc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1ccn(n1)C(C)C
CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccn(C(C)C)n3)sc2c1 c1ccc(cc1)C[*:1] CCOc1ccc2nc(sc2c1)N(C(=O)c1ccn(n1)C(C)C)[*:1]
CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccn(C(C)C)n3)sc2c1 CCO[*:1] CC(C)n1ccc(n1)C(=O)N(Cc1ccccc1)c1nc2ccc(cc2s1)[*:1]
Cc1cc(C[C@@H](C)N[C@H]2CC3(CCCCC3)Oc3ccccc32)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@@H](N[C@H]1CC2(CCCCC2)Oc2ccccc21)[*:1]
Cc1cc(C[C@@H](C)N[C@H]2CC3(CCCCC3)Oc3ccccc32)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@H](C[*:1])N[C@H]1CC2(CCCCC2)Oc2ccccc21
O=C(Cn1c(-c2ccccc2)cn2c3ccccc3nc12)NCc1ccco1 O=C(NCc1ccco1)[*:1] c1ccc(cc1)-c1cn2c3ccccc3nc2n1C[*:1]
O=C(Cn1c(-c2ccccc2)cn2c3ccccc3nc12)NCc1ccco1 c1coc(c1)[*:1] O=C(Cn1c(cn2c3ccccc3nc12)-c1ccccc1)NC[*:1]
O=C(Cn1c(-c2ccccc2)cn2c3ccccc3nc12)NCc1ccco1 c1ccc(cc1)[*:1] O=C(Cn1c(cn2c3ccccc3nc12)[*:1])NCc1ccco1
O=C(Cn1c(-c2ccccc2)cn2c3ccccc3nc12)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cn1c(cn2c3ccccc3nc12)-c1ccccc1)N[*:1]
N#C/C(=C\c1ccc(F)cc1)c1nc([O-])c2ccccc2n1 Fc1ccc(cc1)[*:1] N#CC(=C[*:1])c1nc([O-])c2ccccc2n1
O=C(N[C@H]1COc2ccccc2C1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(N[C@H]1COc2ccccc2C1)c1ccccc1[*:1]
O=C1N[C@]2(CC[C@@H]3CN(C(=O)c4cc(-c5ccc(O)cc5)on4)C[C@@H]32)Nc2ccccc21 Oc1ccc(cc1)[*:1] O=C1N[C@]2(CC[C@@H]3CN(C[C@@H]32)C(=O)c2cc(on2)[*:1])Nc2ccccc21
COc1ccc(-c2nnc3n2N[C@H](c2cc4cc(OC)ccc4n4nnnc24)S3)cc1 COc1ccc(cc1)[*:1] COc1ccc2c(c1)cc(c1nnnn12)[C@H]1Nn2c(nnc2[*:1])S1
COC[C@H](NC(=O)NCc1ccccc1OC)c1ccc(F)c(F)c1 COC[*:1] COc1ccccc1CNC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
COC[C@H](NC(=O)NCc1ccccc1OC)c1ccc(F)c(F)c1 COc1ccccc1[*:1] COC[C@H](NC(=O)NC[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)NCc1ccccc1OC)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)NCc1ccccc1OC)[*:1]
CCCNc1nnc(Sc2cc(C)nc(COC)n2)s1 COC[*:1] CCCNc1nnc(Sc2cc(C)nc(n2)[*:1])s1
CCCNc1nnc(Sc2cc(C)nc(COC)n2)s1 CCC[*:1] COCc1nc(C)cc(n1)Sc1nnc(N[*:1])s1
CCCNc1nnc(Sc2cc(C)nc(COC)n2)s1 CCCN[*:1] COCc1nc(C)cc(n1)Sc1nnc(s1)[*:1]
C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 C[C@H](C1CC1)[*:1] CS(=O)(=O)N1CC[C@@H](C[NH2+][*:1])C1
C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 C1CC1[*:1] C[C@H]([NH2+]C[C@@H]1CCN(C1)S(C)(=O)=O)[*:1]
CN(CCS(C)(=O)=O)c1nc2sccn2c1[N+](=O)[O-] CS(=O)(=O)[*:1] CN(CC[*:1])c1nc2sccn2c1[N+](=O)[O-]
CN(CCS(C)(=O)=O)c1nc2sccn2c1[N+](=O)[O-] CS(=O)(=O)CC[*:1] CN(c1nc2sccn2c1[N+](=O)[O-])[*:1]
CN(CCS(C)(=O)=O)c1nc2sccn2c1[N+](=O)[O-] CS(=O)(=O)C[*:1] CN(C[*:1])c1nc2sccn2c1[N+](=O)[O-]
CN(CCS(C)(=O)=O)c1nc2sccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CCS(C)(=O)=O)c1nc2sccn2c1[*:1]
COc1cc2[nH]c(=S)n(C[C@@H]3CCCO3)c(=O)c2cc1OC C1CO[C@@H](C1)[*:1] COc1cc2[nH]c(=S)n(C[*:1])c(=O)c2cc1OC
COc1cc2[nH]c(=S)n(C[C@@H]3CCCO3)c(=O)c2cc1OC C1CO[C@@H](C1)C[*:1] COc1cc2[nH]c(=S)n(c(=O)c2cc1OC)[*:1]
COCc1nc2cc(NC(=O)c3cccnc3N3CCCCC3)ccc2o1 C1CCN(CC1)[*:1] COCc1nc2cc(ccc2o1)NC(=O)c1cccnc1[*:1]
COCc1nc2cc(NC(=O)c3cccnc3N3CCCCC3)ccc2o1 COC[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])c1cccnc1N1CCCCC1
COCCNC(=O)N1CCN(Cc2nc3cc(Cl)ccc3o2)CC1 COCC[*:1] O=C(N[*:1])N1CCN(CC1)Cc1nc2cc(Cl)ccc2o1
COCCNC(=O)N1CCN(Cc2nc3cc(Cl)ccc3o2)CC1 COC[*:1] O=C(NC[*:1])N1CCN(CC1)Cc1nc2cc(Cl)ccc2o1
COc1ccc2c(c1)NC1(CCN(C(=O)c3cccc(F)c3)CC1)c1cccn1-2 Fc1cccc(c1)[*:1] COc1ccc2c(c1)NC1(CCN(CC1)C(=O)[*:1])c1cccn1-2
CC[C@H](CNC(=O)CNC(=O)c1cccs1)c1ccccc1 c1csc(c1)[*:1] CC[C@H](CNC(=O)CNC(=O)[*:1])c1ccccc1
CC[C@H](CNC(=O)CNC(=O)c1cccs1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CNC(=O)CNC(=O)c1cccs1)[*:1]
CCNC(=O)c1cccc(NC(=S)NC(=O)CC2CCCC2)c1 CCNC(=O)[*:1] O=C(CC1CCCC1)NC(=S)Nc1cccc(c1)[*:1]
CCNC(=O)c1cccc(NC(=S)NC(=O)CC2CCCC2)c1 C1CCC(C1)C[*:1] CCNC(=O)c1cccc(c1)NC(=S)NC(=O)[*:1]
CCNC(=O)c1cccc(NC(=S)NC(=O)CC2CCCC2)c1 C1CCC(C1)[*:1] CCNC(=O)c1cccc(c1)NC(=S)NC(=O)C[*:1]
COC(=O)Cc1n[nH]c(/N=C(\[O-])[C@@H](c2ccccc2)C(C)C)n1 COC(=O)C[*:1] CC(C)[C@@H](/C([O-])=N/c1nc(n[nH]1)[*:1])c1ccccc1
COC(=O)Cc1n[nH]c(/N=C(\[O-])[C@@H](c2ccccc2)C(C)C)n1 c1ccc(cc1)[*:1] COC(=O)Cc1n[nH]c(/N=C(\[O-])[C@@H](C(C)C)[*:1])n1
COC(=O)Cc1n[nH]c(/N=C(\[O-])[C@@H](c2ccccc2)C(C)C)n1 CC(C)[*:1] COC(=O)Cc1n[nH]c(/N=C(\[O-])[C@@H](c2ccccc2)[*:1])n1
COC(=O)Cc1n[nH]c(/N=C(\[O-])[C@@H](c2ccccc2)C(C)C)n1 COC(=O)[*:1] CC(C)[C@@H](/C([O-])=N/c1nc(C[*:1])n[nH]1)c1ccccc1
O=C(CN1CCN(S(=O)(=O)C2=CC[C@H](Cl)S2)CC1)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)C1=CC[C@H](Cl)S1)NCC[*:1]
O=C(CN1CCN(S(=O)(=O)C2=CC[C@H](Cl)S2)CC1)NCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)C[*:1] O=C(CN1CCN(CC1)S(=O)(=O)C1=CC[C@H](Cl)S1)NC[*:1]
COCC[C@H](C)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 COCC[*:1] C[C@H](C(=O)N1CCC(CC1)CN1C[C@@H](C)O[C@H](C)C1)[*:1]
COCC[C@H](C)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 COCC[C@H](C)[*:1] C[C@@H]1CN(CC2CCN(CC2)C(=O)[*:1])C[C@@H](C)O1
COCC[C@H](C)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 COC[*:1] C[C@@H](C[*:1])C(=O)N1CCC(CC1)CN1C[C@@H](C)O[C@H](C)C1
Cc1ocnc1CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 Cc1ocnc1[*:1] O=C(NC[*:1])C(=O)Nc1cccnc1-c1ccccc1
Cc1ocnc1CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 Cc1ocnc1C[*:1] O=C(Nc1cccnc1-c1ccccc1)C(=O)N[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ocnc1CNC(=O)C(=O)Nc1cccnc1[*:1]
C[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1ccco1 c1coc(c1)[*:1] C[C@@H](CC1C[NH+]=c2ccccc2=1)NC(=O)[*:1]
CCc1ccc(S(=O)(=O)N2CCC(Oc3nc4c(F)cc(F)cc4s3)CC2)s1 CCc1ccc(s1)[*:1] O=S(=O)(N1CCC(CC1)Oc1nc2c(F)cc(F)cc2s1)[*:1]
C[C@H](C(=O)[O-])N1CCc2ccccc21 O=C([O-])[*:1] C[C@H](N1CCc2ccccc21)[*:1]
CC[C@@H](CCO)CNC(=O)c1c(C)n[nH]c1C OCC[*:1] CC[C@@H](CNC(=O)c1c(C)n[nH]c1C)[*:1]
Cc1cc(CN(C)C(=O)C2(C#N)CCCC2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)C1(C#N)CCCC1
COCc1cn([C@H]2CO[C@@H]3[C@@H](NC(=O)c4ccc(C(F)(F)F)cc4)CO[C@H]23)nn1 FC(F)(F)[*:1] COCc1cn(nn1)[C@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)c1ccc(cc1)[*:1]
COCc1cn([C@H]2CO[C@@H]3[C@@H](NC(=O)c4ccc(C(F)(F)F)cc4)CO[C@H]23)nn1 COC[*:1] O=C(N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)n1cc(nn1)[*:1])c1ccc(cc1)C(F)(F)F
COCc1cn([C@H]2CO[C@@H]3[C@@H](NC(=O)c4ccc(C(F)(F)F)cc4)CO[C@H]23)nn1 COCc1cn(nn1)[*:1] O=C(N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)[*:1])c1ccc(cc1)C(F)(F)F
CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ccccc1Cl Clc1ccccc1[*:1] CC[NH+](CC)[C@@H](C)CNC(=O)N(C)C[*:1]
CCOc1cc(C#N)ccc1OC(=O)c1ccc2cc[nH]c2c1 CCO[*:1] N#Cc1ccc(OC(=O)c2ccc3cc[nH]c3c2)c(c1)[*:1]
COc1ccc([C@@H](O)CNC(=O)c2ccc(C)s2)cc1 Cc1ccc(s1)[*:1] COc1ccc(cc1)[C@@H](O)CNC(=O)[*:1]
C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 CC(C)(C)S(=O)(=O)C[*:1] C[C@H]([NH2+]C[*:1])c1ccc2NC(=O)C(C)(C)c2c1
C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 CC(C)(C)[*:1] C[C@H]([NH2+]CCS(=O)(=O)[*:1])c1ccc2NC(=O)C(C)(C)c2c1
C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 CC(C)(C)S(=O)(=O)[*:1] C[C@H]([NH2+]CC[*:1])c1ccc2NC(=O)C(C)(C)c2c1
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 NC(=O)N[*:1] CC[C@@H](C)[C@@H](C(=O)N1CCC[C@@H](C1)C(=O)[O-])[*:1]
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N1CCC[C@H](C1)[*:1]
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 CC[C@@H](C)[*:1] NC(=O)N[C@@H](C(=O)N1CCC[C@@H](C1)C(=O)[O-])[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C CC(C)[*:1] CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)[C@@H](c1ccccc1Cl)[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C CCS(=O)(=O)C[*:1] CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)N[C@H](C)[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C CCS(=O)(=O)[*:1] CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)N[C@H](C)C[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C CCS(=O)(=O)C[C@@H](C)[*:1] CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)N[*:1]
CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C Clc1ccccc1[*:1] CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)[C@@H](C(C)C)[*:1]
CN(C)C(=O)CN(Cc1cccc(Cl)c1Cl)CC(F)(F)F CN(C)C(=O)[*:1] FC(F)(F)CN(Cc1cccc(Cl)c1Cl)C[*:1]
CN(C)C(=O)CN(Cc1cccc(Cl)c1Cl)CC(F)(F)F CN(C)C(=O)C[*:1] FC(F)(F)CN(Cc1cccc(Cl)c1Cl)[*:1]
CN(C)C(=O)CN(Cc1cccc(Cl)c1Cl)CC(F)(F)F FC(F)(F)[*:1] CN(C)C(=O)CN(Cc1cccc(Cl)c1Cl)C[*:1]
CN(C)C(=O)CN(Cc1cccc(Cl)c1Cl)CC(F)(F)F FC(F)(F)C[*:1] CN(C)C(=O)CN(Cc1cccc(Cl)c1Cl)[*:1]
C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ncccc2C#N)CC1 N#Cc1cccnc1[*:1] C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(CC1)[*:1]
C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ncccc2C#N)CC1 CC(C)(C)[*:1] C[C@@H](C(=O)NC(=O)N[*:1])N1CCN(CC1)c1ncccc1C#N
NC(=O)CN(C1CC[NH2+]CC1)[C@H]1CCOC2(CCCC2)C1 NC(=O)C[*:1] C1CCC2(C1)C[C@H](CCO2)N(C1CC[NH2+]CC1)[*:1]
NC(=O)CN(C1CC[NH2+]CC1)[C@H]1CCOC2(CCCC2)C1 NC(=O)[*:1] C1CCC2(C1)C[C@H](CCO2)N(C[*:1])C1CC[NH2+]CC1
O=[N+]([O-])c1ccc2[nH]nc(-c3cncc(Cl)c3)c2c1 O=[N+]([O-])[*:1] Clc1cncc(c1)-c1n[nH]c2ccc(cc12)[*:1]
C[C@@H](C(=O)N(C)Cc1ccc(O)cc1)S(C)(=O)=O C[C@@H](S(C)(=O)=O)[*:1] CN(Cc1ccc(O)cc1)C(=O)[*:1]
C[C@@H](C(=O)N(C)Cc1ccc(O)cc1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](C(=O)N(C)Cc1ccc(O)cc1)[*:1]
Cc1ccc(C(=O)N(C)C[C@H](O)C2CC2)c(C)c1 O[C@H](C1CC1)[*:1] Cc1ccc(C(=O)N(C)C[*:1])c(C)c1
Cc1ccc(C(=O)N(C)C[C@H](O)C2CC2)c(C)c1 C1CC1[*:1] Cc1ccc(C(=O)N(C)C[C@H](O)[*:1])c(C)c1
O=C(CN1C(=O)/C(=C/c2c(F)cccc2Cl)Oc2ccccc21)NC[C@@H]1CCCO1 Fc1cccc(Cl)c1[*:1] O=C(CN1C(=O)C(=C[*:1])Oc2ccccc21)NC[C@@H]1CCCO1
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2N)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1nnc(S[C@@H](C)C(=O)Nc2cc(ccc2Cl)[*:1])n1N
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2N)cc1 Cc1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1N)[*:1])C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]
O=C(CSc1nncn1-c1ccccc1)Nc1ccc(F)c(F)c1 c1ccc(cc1)[*:1] O=C(CSc1nncn1[*:1])Nc1ccc(F)c(F)c1
O=C(CSc1nncn1-c1ccccc1)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CSc1nncn1-c1ccccc1)N[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H]([NH3+])Cc2c[nH]c3ccccc23)o1 c1ccc2c(c[nH]c2c1)[*:1] Cc1cccc(C)c1NC(=O)CSc1nnc(o1)[C@@H]([NH3+])C[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H]([NH3+])Cc2c[nH]c3ccccc23)o1 c1ccc2c(c[nH]c2c1)C[*:1] Cc1cccc(C)c1NC(=O)CSc1nnc(o1)[C@@H]([NH3+])[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H]([NH3+])Cc2c[nH]c3ccccc23)o1 Cc1cccc(C)c1[*:1] [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nnc(o1)SCC(=O)N[*:1]
C[C@H](O)[C@@H](C)N1CCN(C2C[NH2+]C2)CC1 C[C@H](O)[*:1] C[C@@H](N1CCN(CC1)C1C[NH2+]C1)[*:1]
C[C@H](O)[C@@H](C)N1CCN(C2C[NH2+]C2)CC1 C[C@H](O)[C@@H](C)[*:1] C1[NH2+]CC1N1CCN(CC1)[*:1]
C[C@H](O)[C@@H](C)N1CCN(C2C[NH2+]C2)CC1 C1[NH2+]CC1[*:1] C[C@H](O)[C@@H](C)N1CCN(CC1)[*:1]
Cc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)on1 Cc1cc(on1)[*:1] O=C([C@H]1CCCO1)N1CCC[C@@H](C1)c1[nH]ncc1[*:1]
Cc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)on1 C1CO[C@H](C1)[*:1] Cc1cc(on1)-c1cn[nH]c1[C@H]1CCCN(C1)C(=O)[*:1]
CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N1 c1coc(c1)C[*:1] CC[C@@](C)(C(=O)NC1CCCC1)N(C(=O)[C@@H]1CCC(=O)N1)[*:1]
CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N1 O=C(NC1CCCC1)[*:1] CC[C@@](C)(N(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N1)[*:1]
CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N1 C1CCC(C1)[*:1] CC[C@@](C)(C(=O)N[*:1])N(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N1
CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N1 c1coc(c1)[*:1] CC[C@@](C)(C(=O)NC1CCCC1)N(C[*:1])C(=O)[C@@H]1CCC(=O)N1
CCCn1cc(NC(=O)c2cc(F)cc(Br)c2)cn1 CCC[*:1] O=C(Nc1cnn(c1)[*:1])c1cc(F)cc(Br)c1
COc1ccccc1NC(=O)C1=C(C)C(=O)OC12CC[NH+](C(C)C)CC2 CC(C)[*:1] COc1ccccc1NC(=O)C1=C(C)C(=O)OC12CC[NH+](CC2)[*:1]
COc1ccccc1NC(=O)C1=C(C)C(=O)OC12CC[NH+](C(C)C)CC2 COc1ccccc1[*:1] CC1C(=O)OC2(CC[NH+](CC2)C(C)C)C=1C(=O)N[*:1]
Cc1nnc2n1CCC[C@@H]2[NH2+]Cc1cccc(-c2ccncc2)c1 c1cc(ccn1)[*:1] Cc1nnc2[C@H](CCCn12)[NH2+]Cc1cccc(c1)[*:1]
CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 CC(C)[*:1] C[C@@H](C(=O)NC[*:1])N1CCN(CC1)C(=O)c1ccccc1OC(F)F
CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 FC(F)[*:1] CC(C)CNC(=O)[C@H](C)N1CCN(CC1)C(=O)c1ccccc1O[*:1]
CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 CC(C)C[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1ccccc1OC(F)F
CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 CC(C)CNC(=O)[*:1] C[C@H](N1CCN(CC1)C(=O)c1ccccc1OC(F)F)[*:1]
CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 FC(F)O[*:1] CC(C)CNC(=O)[C@H](C)N1CCN(CC1)C(=O)c1ccccc1[*:1]
CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 CC(C)CNC(=O)[C@H](C)[*:1] O=C(c1ccccc1OC(F)F)N1CCN(CC1)[*:1]
CCCCCC[C@H](O)[C@@]1(C[NH3+])CCOc2ccccc21 CCCCC[*:1] [NH3+]C[C@@]1(CCOc2ccccc21)[C@@H](O)C[*:1]
CCCCCC[C@H](O)[C@@]1(C[NH3+])CCOc2ccccc21 CCCCCC[*:1] [NH3+]C[C@@]1(CCOc2ccccc21)[C@@H](O)[*:1]
CCCCCC[C@H](O)[C@@]1(C[NH3+])CCOc2ccccc21 CCC[*:1] [NH3+]C[C@@]1(CCOc2ccccc21)[C@@H](O)CCC[*:1]
CCCCCC[C@H](O)[C@@]1(C[NH3+])CCOc2ccccc21 CCCC[*:1] [NH3+]C[C@@]1(CCOc2ccccc21)[C@@H](O)CC[*:1]
Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1nnc(C2CC2)s1 c1ccc(cc1)[*:1] Cc1nn(cc1CCCNC(=O)Nc1nnc(s1)C1CC1)[*:1]
Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1nnc(C2CC2)s1 C1CC1[*:1] Cc1nn(cc1CCCNC(=O)Nc1nnc(s1)[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1nnc(C2CC2)s1 C1CC1c1nnc(s1)[*:1] Cc1nn(cc1CCCNC(=O)N[*:1])-c1ccccc1
O=C(NC1CCCCC1)/C(=C/c1ccccc1Cl)NC(=O)c1ccco1 C1CCC(CC1)[*:1] O=C(N[*:1])/C(=C/c1ccccc1Cl)NC(=O)c1ccco1
O=C(NC1CCCCC1)/C(=C/c1ccccc1Cl)NC(=O)c1ccco1 Clc1ccccc1[*:1] O=C(NC1CCCCC1)C(=C[*:1])NC(=O)c1ccco1
O=C(NC1CCCCC1)/C(=C/c1ccccc1Cl)NC(=O)c1ccco1 c1coc(c1)[*:1] O=C(NC1CCCCC1)/C(=C/c1ccccc1Cl)NC(=O)[*:1]
O=C(NC1CCCCC1)/C(=C/c1ccccc1Cl)NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 O=C(NC1CCCCC1)C(=Cc1ccccc1Cl)[*:1]
C[C@@H](O)CCC(=O)Nc1cccc(-c2nncn2C)c1 C[C@@H](O)C[*:1] Cn1cnnc1-c1cccc(c1)NC(=O)C[*:1]
C[C@@H](O)CCC(=O)Nc1cccc(-c2nncn2C)c1 C[C@@H](O)[*:1] Cn1cnnc1-c1cccc(c1)NC(=O)CC[*:1]
C[C@@H](O)CCC(=O)Nc1cccc(-c2nncn2C)c1 Cn1cnnc1[*:1] C[C@@H](O)CCC(=O)Nc1cccc(c1)[*:1]
C[C@@H](O)CCC(=O)Nc1cccc(-c2nncn2C)c1 C[C@@H](O)CC[*:1] Cn1cnnc1-c1cccc(c1)NC(=O)[*:1]
COc1cccc2cc(-c3csc(NC(=O)COc4ccccc4)n3)oc12 c1ccc(cc1)[*:1] COc1cccc2cc(oc12)-c1csc(n1)NC(=O)CO[*:1]
COc1cccc2cc(-c3csc(NC(=O)COc4ccccc4)n3)oc12 c1ccc(cc1)O[*:1] COc1cccc2cc(oc12)-c1csc(n1)NC(=O)C[*:1]
COc1cccc2cc(-c3csc(NC(=O)COc4ccccc4)n3)oc12 c1ccc(cc1)OC[*:1] COc1cccc2cc(oc12)-c1csc(n1)NC(=O)[*:1]
CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c12 c1ccc(cc1)[*:1] CCN(CC)c1ncnc2c(cn(CC(=O)N3CCN(CC3)c3ccc(F)cc3)c12)[*:1]
CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c12 CCN(CC)[*:1] O=C(Cn1cc(-c2ccccc2)c2ncnc(c21)[*:1])N1CCN(CC1)c1ccc(F)cc1
CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c12 Fc1ccc(cc1)[*:1] CCN(CC)c1ncnc2c(cn(CC(=O)N3CCN(CC3)[*:1])c12)-c1ccccc1
Cc1cc(NC(=O)NCc2nccn2Cc2ccccc2)c2ncccc2c1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)NCc2nccn2[*:1])c2ncccc2c1
Cc1cc(NC(=O)NCc2nccn2Cc2ccccc2)c2ncccc2c1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)NCc2nccn2C[*:1])c2ncccc2c1
CC(C)[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(F)c(F)c1 CC(C)[*:1] C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(F)c(F)c1)[*:1]
CC(C)[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(F)c(F)c1 CC(C)[C@@H](C)[*:1] O=C(CS(=O)(=O)Cc1ccc(F)c(F)c1)N[*:1]
Cc1cc(C)c(NC(=O)N[C@@](C)(CO)C2CC2)c(C)c1 C1CC1[*:1] Cc1cc(C)c(NC(=O)N[C@@](C)(CO)[*:1])c(C)c1
CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)n2)o1 c1ccc(cc1)[*:1] CC(=O)NCc1ccc(o1)-c1csc(n1)NC(=O)c1cc(nn1[*:1])-c1ccco1
CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)n2)o1 CC(=O)NCc1ccc(o1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cc(nn1-c1ccccc1)-c1ccco1
CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)n2)o1 c1coc(c1)[*:1] CC(=O)NCc1ccc(o1)-c1csc(n1)NC(=O)c1cc(nn1-c1ccccc1)[*:1]
CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)n2)o1 CC(=O)N[*:1] O=C(Nc1nc(cs1)-c1ccc(C[*:1])o1)c1cc(nn1-c1ccccc1)-c1ccco1
CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)n2)o1 CC(=O)NC[*:1] O=C(Nc1nc(cs1)-c1ccc(o1)[*:1])c1cc(nn1-c1ccccc1)-c1ccco1
C=CCn1c(SCC(=O)NC2CCC(C)CC2)nc2ncccc2c1=O CC1CCC(CC1)[*:1] C=CCn1c(nc2ncccc2c1=O)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)NC2CCC(C)CC2)nc2ncccc2c1=O C=CC[*:1] CC1CCC(CC1)NC(=O)CSc1nc2ncccc2c(=O)n1[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccn1 CC(C)(C)[*:1] N#Cc1nc([n-]c1C#N)NC(=O)c1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccn1 CC(C)(C)O[*:1] N#Cc1nc([n-]c1C#N)NC(=O)c1ccnc(c1)[*:1]
Cc1nc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)c(-c2ccccc2)s1 Fc1cccc(c1)[*:1] Cc1nc(C(=O)N(C[*:1])[C@H]2CCS(=O)(=O)C2)c(s1)-c1ccccc1
Cc1nc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)c(-c2ccccc2)s1 Fc1cccc(c1)C[*:1] Cc1nc(C(=O)N([C@H]2CCS(=O)(=O)C2)[*:1])c(s1)-c1ccccc1
Cc1nc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)c(-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)c(s1)[*:1]
CN(C)C(=O)c1cccc(OCC(=O)N(Cc2ccccc2)C2CC2)c1 CN(C)C(=O)[*:1] O=C(COc1cccc(c1)[*:1])N(Cc1ccccc1)C1CC1
CN(C)C(=O)c1cccc(OCC(=O)N(Cc2ccccc2)C2CC2)c1 c1ccc(cc1)C[*:1] CN(C)C(=O)c1cccc(c1)OCC(=O)N(C1CC1)[*:1]
CN(C)C(=O)c1cccc(OCC(=O)N(Cc2ccccc2)C2CC2)c1 C1CC1[*:1] CN(C)C(=O)c1cccc(c1)OCC(=O)N(Cc1ccccc1)[*:1]
CN(C)C(=O)c1cccc(OCC(=O)N(Cc2ccccc2)C2CC2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1cccc(c1)OCC(=O)N(C[*:1])C1CC1
CC1(C)C[C@@H]1n1c(SCC(=O)[O-])nc2cc(Cl)c(Cl)cc21 O=C([O-])[*:1] CC1(C)C[C@@H]1n1c(nc2cc(Cl)c(Cl)cc21)SC[*:1]
CC1(C)C[C@@H]1n1c(SCC(=O)[O-])nc2cc(Cl)c(Cl)cc21 O=C([O-])C[*:1] CC1(C)C[C@@H]1n1c(nc2cc(Cl)c(Cl)cc21)S[*:1]
CC1(C)C[C@@H]1n1c(SCC(=O)[O-])nc2cc(Cl)c(Cl)cc21 O=C([O-])CS[*:1] CC1(C)C[C@@H]1n1c(nc2cc(Cl)c(Cl)cc21)[*:1]
CC1(C)C[C@@H]1n1c(SCC(=O)[O-])nc2cc(Cl)c(Cl)cc21 CC1(C)C[C@H]1[*:1] O=C([O-])CSc1nc2cc(Cl)c(Cl)cc2n1[*:1]
Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1cc(ccc1[*:1])NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)c1ccco1)NC(=O)c1ccc(c(c1)[*:1])N1CCOCC1
Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 C1CN(CCO1)[*:1] Cc1cc(ccc1NC(=O)c1ccco1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1cc(ccc1NC(=O)[*:1])NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
CCN(Cc1cccc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c1)C(C)=O CCN(C(C)=O)[*:1] O=C(Nc1cccc(c1)C[*:1])[C@H]1CC(=O)N(CC2CC2)C1
CCN(Cc1cccc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c1)C(C)=O C1CC1C[*:1] CCN(Cc1cccc(c1)NC(=O)[C@H]1CC(=O)N(C1)[*:1])C(C)=O
CCN(Cc1cccc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c1)C(C)=O C1CC1[*:1] CCN(Cc1cccc(c1)NC(=O)[C@H]1CC(=O)N(C1)C[*:1])C(C)=O
CCN(Cc1cccc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c1)C(C)=O CCN(C[*:1])C(C)=O O=C(Nc1cccc(c1)[*:1])[C@H]1CC(=O)N(CC2CC2)C1
CC(C)N(C(=O)/C=C/c1ccccc1)C1CCOCC1 c1ccc(cc1)[*:1] CC(C)N(C(=O)C=C[*:1])C1CCOCC1
CC(C)N(C(=O)/C=C/c1ccccc1)C1CCOCC1 CC(C)[*:1] O=C(/C=C/c1ccccc1)N(C1CCOCC1)[*:1]
CC(C)N(C(=O)/C=C/c1ccccc1)C1CCOCC1 C1CC(CCO1)[*:1] CC(C)N(C(=O)/C=C/c1ccccc1)[*:1]
C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cnc2ccsc2c1 O=[N+]([O-])[*:1] C[C@@H](NCCOc1ccc(cc1)[*:1])c1cnc2ccsc2c1
O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NCc1cccc(F)c1 c1cnc2sc(nc2c1)[*:1] O=C(CCC(=O)N1CCN(CC1)[*:1])NCc1cccc(F)c1
O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCC(=O)N1CCN(CC1)c1nc2cccnc2s1)NC[*:1]
O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NCc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(CCC(=O)N1CCN(CC1)c1nc2cccnc2s1)N[*:1]
CCN1C[C@@H](C(=O)NCCCc2ccccc2F)CC1=O Fc1ccccc1[*:1] CCN1C[C@H](CC1=O)C(=O)NCCC[*:1]
CCn1cc(C[NH2+]CC2(N3CCSCC3)CCCCC2)cn1 CCn1cc(cn1)[*:1] C1CCC(CC1)(C[NH2+]C[*:1])N1CCSCC1
CCn1cc(C[NH2+]CC2(N3CCSCC3)CCCCC2)cn1 C1CN(CCS1)[*:1] CCn1cc(cn1)C[NH2+]CC1(CCCCC1)[*:1]
Cc1ncccc1C(=O)N1CCCN(CCC[NH3+])CC1 [NH3+]CC[*:1] Cc1ncccc1C(=O)N1CCCN(CC1)C[*:1]
Cc1ncccc1C(=O)N1CCCN(CCC[NH3+])CC1 [NH3+]CCC[*:1] Cc1ncccc1C(=O)N1CCCN(CC1)[*:1]
O=C(NCC(F)(F)F)C1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 O=C(NCC(F)(F)F)[*:1] O=C(c1cnn(n1)-c1ccccc1)N1CCC(CC1)[*:1]
O=C(NCC(F)(F)F)C1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] O=C(NCC(F)(F)F)C1CCN(CC1)C(=O)c1cnn(n1)[*:1]
O=C(NCC(F)(F)F)C1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 FC(F)(F)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1cnn(n1)-c1ccccc1
O=C(NCC(F)(F)F)C1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 FC(F)(F)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cnn(n1)-c1ccccc1
COc1ccc(CNC(=O)CSc2nnnn2C2CCCC2)cc1F C1CCC(C1)[*:1] COc1ccc(cc1F)CNC(=O)CSc1nnnn1[*:1]
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1)c1cccs1 C1CN(CCO1)C[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccccc1)c1cccs1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2)N1CCCN1CCOCC1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1[*:1])c1cccs1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1)c1cccs1 C1CN(CCO1)[*:1] O=C(C1=C([O-])C(=O)N(CCC[*:1])[C@H]1c1ccccc1)c1cccs1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1)c1cccs1 O=C(c1cccs1)[*:1] O=C1C([O-])=C([C@H](c2ccccc2)N1CCCN1CCOCC1)[*:1]
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1)c1cccs1 C(CN1CCOCC1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccccc1)[*:1])c1cccs1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1)c1cccs1 C1CN(CCO1)CC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1)c1cccs1
Cc1cc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)ccc1C(N)=O NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@@H]1C=C[C@H](CO)C1
CCOc1ccccc1NC(=O)c1c(-c2ccccc2)noc1C CCO[*:1] Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)c1c(-c2ccccc2)noc1C c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)c1c(noc1C)[*:1]
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O O=C(c1ccccc1)[*:1] CC[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O Fc1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)c2ccccc2)C1=O)[*:1]
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc(F)cc1
COC(=O)c1c(NC(=O)C[NH+]2CCC(C)CC2)sc(C(N)=O)c1C COC(=O)[*:1] Cc1c(sc(NC(=O)C[NH+]2CCC(C)CC2)c1[*:1])C(N)=O
COC(=O)c1c(NC(=O)C[NH+]2CCC(C)CC2)sc(C(N)=O)c1C NC(=O)[*:1] COC(=O)c1c(NC(=O)C[NH+]2CCC(C)CC2)sc(c1C)[*:1]
CC[C@H](CSC)N(C)C(=O)C[C@H](C)c1cccc(F)c1 CSC[*:1] CC[C@H](N(C)C(=O)C[C@H](C)c1cccc(F)c1)[*:1]
O=C1[C@@H](NCc2ccc(-n3ccnc3)cc2)CCCN1c1ccccc1F c1cn(cn1)[*:1] O=C1[C@H](CCCN1c1ccccc1F)NCc1ccc(cc1)[*:1]
O=C1[C@@H](NCc2ccc(-n3ccnc3)cc2)CCCN1c1ccccc1F Fc1ccccc1[*:1] O=C1[C@H](CCCN1[*:1])NCc1ccc(cc1)-n1ccnc1
Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 Cc1ccc(o1)[*:1] O=C(COC(=O)C=C[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 FC(F)(F)[*:1] Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)c(c2)[*:1])o1
Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 Cc1ccc(C=C[*:1])o1 O=C(COC(=O)[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
COCCn1c(C)cc(C(=O)CN2CCC[C@H](N3CCCC3=O)C2)c1C COCC[*:1] Cc1cc(C(=O)CN2CCC[C@@H](C2)N2CCCC2=O)c(C)n1[*:1]
COCCn1c(C)cc(C(=O)CN2CCC[C@H](N3CCCC3=O)C2)c1C O=C1CCCN1[*:1] COCCn1c(C)cc(C(=O)CN2CCC[C@H](C2)[*:1])c1C
COCCn1c(C)cc(C(=O)CN2CCC[C@H](N3CCCC3=O)C2)c1C COC[*:1] Cc1cc(C(=O)CN2CCC[C@@H](C2)N2CCCC2=O)c(C)n1C[*:1]
O=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccncc1 FC(F)O[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])c1ccncc1
O=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccncc1 c1cc(ccn1)[*:1] O=C(N/N=C/c1ccc(cc1)OC(F)F)[*:1]
O=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccncc1 FC(F)[*:1] O=C(N/N=C/c1ccc(cc1)O[*:1])c1ccncc1
O=C(NNC(=O)c1cccc(Cl)c1)C1=NN(c2ccccc2)C(=O)CC1 Clc1cccc(c1)[*:1] O=C(NNC(=O)[*:1])C1CCC(=O)N(N=1)c1ccccc1
O=C(NNC(=O)c1cccc(Cl)c1)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] O=C(NNC(=O)c1cccc(Cl)c1)C1CCC(=O)N(N=1)[*:1]
O=C(NC[C@]1(O)CCCc2ccccc21)Nc1ccc(-c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] O=C(NC[C@]1(O)CCCc2ccccc21)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(CNC(=O)COCC[NH3+])cc1 CC(=O)N[*:1] [NH3+]CCOCC(=O)NCc1ccc(cc1)[*:1]
O=C(NCc1cc(=O)[nH]c2ccccc12)N(Cc1ccccc1F)C1CC1 Fc1ccccc1C[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)N(C1CC1)[*:1]
O=C(NCc1cc(=O)[nH]c2ccccc12)N(Cc1ccccc1F)C1CC1 C1CC1[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)N(Cc1ccccc1F)[*:1]
O=C(NCc1cc(=O)[nH]c2ccccc12)N(Cc1ccccc1F)C1CC1 Fc1ccccc1[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)N(C[*:1])C1CC1
CC[C@@H](Cc1ccccc1)N(C)c1ccc([N+](=O)[O-])cn1 c1ccc(cc1)C[*:1] CC[C@@H](N(C)c1ccc(cn1)[N+](=O)[O-])[*:1]
CC[C@@H](Cc1ccccc1)N(C)c1ccc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CC[C@@H](Cc1ccccc1)N(C)c1ccc(cn1)[*:1]
CC[C@@H](Cc1ccccc1)N(C)c1ccc([N+](=O)[O-])cn1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])N(C)c1ccc(cn1)[N+](=O)[O-]
CCCC(=O)NCC(=O)Nc1ncc(CC)s1 CCC[*:1] CCc1cnc(NC(=O)CNC(=O)[*:1])s1
O=C(Cc1cc2ccccc2[nH]c1=O)OCc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cc1cc2ccccc2[nH]c1=O)OC[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)C2)c1 Fc1ccccc1[*:1] Cc1cccc(c1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1c(C)noc1C=C[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)C2)c1 Cc1cccc(c1)NC(=O)[*:1] Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C1)[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)C2)c1 Cc1cccc(c1)[*:1] Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)C2)c1 Fc1ccccc1C=C[*:1] Cc1cccc(c1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1c(C)noc1[*:1]
Cc1cc(C(=O)N2CCOc3ccc(CN4CCOCC4)cc3C2)c2cccc(C)c2n1 C1CN(CCO1)C[*:1] Cc1cc(C(=O)N2CCOc3ccc(cc3C2)[*:1])c2cccc(C)c2n1
Cc1cc(C(=O)N2CCOc3ccc(CN4CCOCC4)cc3C2)c2cccc(C)c2n1 C1CN(CCO1)[*:1] Cc1cc(C(=O)N2CCOc3ccc(cc3C2)C[*:1])c2cccc(C)c2n1
O=C(Nc1ccc2[nH]ccc2c1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 c1cc2cc(ccc2[nH]1)[*:1] O=C(N[*:1])C(=O)N1CCO[C@@H](C1)c1cccc(F)c1
O=C(Nc1ccc2[nH]ccc2c1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(Nc1ccc2[nH]ccc2c1)C(=O)N1CCO[C@H](C1)[*:1]
CCOC(=O)CSc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 Clc1ccc(cc1)[*:1] CCOC(=O)CSc1ccc(cn1)C(=O)N[*:1]
CCOC(=O)CSc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 CCOC(=O)C[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(nc1)S[*:1]
CCOC(=O)CSc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 CCOC(=O)CS[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(nc1)[*:1]
CCOC(=O)CSc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 CCOC(=O)[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(nc1)SC[*:1]
CC(C)(C[NH2+]C[C@@H](O)C1CC1)C(=O)[O-] C1CC1[*:1] CC(C)(C[NH2+]C[C@@H](O)[*:1])C(=O)[O-]
CC(C)(C[NH2+]C[C@@H](O)C1CC1)C(=O)[O-] O=C([O-])[*:1] CC(C)(C[NH2+]C[C@@H](O)C1CC1)[*:1]
Cc1ccc(C[C@H](C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)s1 Cc1ccc(s1)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(N)c(c1)[N+](=O)[O-]
Cc1ccc(C[C@H](C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)s1 Cc1ccc(C[*:1])s1 C[C@H](NC(=O)c1ccc(N)c(c1)[N+](=O)[O-])[*:1]
Cc1ccc(C[C@H](C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] Cc1ccc(C[C@H](C)NC(=O)c2ccc(N)c(c2)[*:1])s1
CCn1c(C2CCN(C(=O)NCCc3ccc(OC)cc3)CC2)n[nH]c1=O COc1ccc(cc1)[*:1] CCn1c(n[nH]c1=O)C1CCN(CC1)C(=O)NCC[*:1]
CCn1c(C2CCN(C(=O)NCCc3ccc(OC)cc3)CC2)n[nH]c1=O CCn1c(n[nH]c1=O)[*:1] COc1ccc(cc1)CCNC(=O)N1CCC(CC1)[*:1]
CCn1c(C2CCN(C(=O)NCCc3ccc(OC)cc3)CC2)n[nH]c1=O COc1ccc(cc1)C[*:1] CCn1c(n[nH]c1=O)C1CCN(CC1)C(=O)NC[*:1]
COc1ccc(Br)cc1COC(=O)c1cccs1 c1csc(c1)[*:1] COc1ccc(Br)cc1COC(=O)[*:1]
Cc1sc2nc(CS[C@H](C)C(=O)Nc3cccc(Cl)c3F)[nH]c(=O)c2c1C Fc1c(Cl)cccc1[*:1] Cc1sc2nc(CS[C@H](C)C(=O)N[*:1])[nH]c(=O)c2c1C
COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccnc(OC2CCC2)c1 COC(=O)[*:1] O=C(c1ccnc(c1)OC1CCC1)N1c2ccccc2C[C@H]1[*:1]
COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccnc(c1)O[*:1]
COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccnc(c1)[*:1]
CCCCn1c(N)c(N(C)Cc2ncc(CC)o2)c(=O)[nH]c1=O CCCC[*:1] CCc1cnc(CN(C)c2c(N)n(c(=O)[nH]c2=O)[*:1])o1
CCCCn1c(N)c(N(C)Cc2ncc(CC)o2)c(=O)[nH]c1=O CCC[*:1] CCc1cnc(CN(C)c2c(N)n(C[*:1])c(=O)[nH]c2=O)o1
CCCCn1c(N)c(N(C)Cc2ncc(CC)o2)c(=O)[nH]c1=O CCc1cnc(o1)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C)C[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(COC)cc1 COC[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(cc1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(COC)cc1 CNC(=O)[*:1] COCc1ccc(cc1)C(=O)N(C)C[C@H](C)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(COC)cc1 CNC(=O)[C@@H](C)[*:1] COCc1ccc(cc1)C(=O)N(C)C[*:1]
Cc1cc2c(cc1C)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)CC(=O)N2 O=[N+]([O-])[*:1] Cc1cc2NC(=O)C[C@H](c3cc(ccc3Cl)[*:1])c2cc1C
CCOc1ccc(CNC(=O)N(C)Cc2ccc(Cl)nc2)cc1OC Clc1ccc(cn1)[*:1] CCOc1ccc(cc1OC)CNC(=O)N(C)C[*:1]
CCOc1ccc(CNC(=O)N(C)Cc2ccc(Cl)nc2)cc1OC Clc1ccc(cn1)C[*:1] CCOc1ccc(cc1OC)CNC(=O)N(C)[*:1]
CCOc1ccc(CNC(=O)N(C)Cc2ccc(Cl)nc2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CNC(=O)N(C)Cc1ccc(Cl)nc1
COCCCOC(=O)/C=C/c1cccc2ccccc12 COCCC[*:1] O=C(/C=C/c1cccc2ccccc12)O[*:1]
COCCCOC(=O)/C=C/c1cccc2ccccc12 COC[*:1] O=C(/C=C/c1cccc2ccccc12)OCC[*:1]
COCCCOC(=O)/C=C/c1cccc2ccccc12 COCC[*:1] O=C(/C=C/c1cccc2ccccc12)OC[*:1]
C=CCN(CC=C)C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 C=CC[*:1] C=CCN(C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1)[*:1]
C[NH2+][C@H](C)c1ccnc(Oc2ccc([N+](=O)[O-])cc2F)c1 O=[N+]([O-])[*:1] C[NH2+][C@H](C)c1ccnc(c1)Oc1ccc(cc1F)[*:1]
CC(=O)N1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc21 O=[N+]([O-])[*:1] CC(=O)N1CCc2ccc(cc21)NC(=O)c1ccc(o1)[*:1]
C[C@H](Br)C[C@H](C)Cc1nc2ccccc2n1C C[C@H](Br)C[*:1] C[C@H](Cc1nc2ccccc2n1C)[*:1]
C[C@H](Br)C[C@H](C)Cc1nc2ccccc2n1C C[C@H](Br)[*:1] C[C@H](Cc1nc2ccccc2n1C)C[*:1]
COc1cc(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)ccc1N1CCCC1=O O=C(N[*:1])c1ccccc1 COc1cc(ccc1N1CCCC1=O)NC(=O)[C@H](C(C)C)[*:1]
COc1cc(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)ccc1N1CCCC1=O O=C1CCCN1[*:1] COc1cc(ccc1[*:1])NC(=O)[C@H](NC(=O)c1ccccc1)C(C)C
COc1cc(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)ccc1N1CCCC1=O c1ccc(cc1)[*:1] COc1cc(ccc1N1CCCC1=O)NC(=O)[C@H](NC(=O)[*:1])C(C)C
COc1cc(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)ccc1N1CCCC1=O CC(C)[*:1] COc1cc(ccc1N1CCCC1=O)NC(=O)[C@H](NC(=O)c1ccccc1)[*:1]
CCOCCCn1c(=O)c2ccccc2n2c(S[C@@H]3CCCCC3=O)nnc12 CCOC[*:1] O=C1CCCC[C@H]1Sc1nnc2n(CC[*:1])c(=O)c3ccccc3n12
CCOCCCn1c(=O)c2ccccc2n2c(S[C@@H]3CCCCC3=O)nnc12 CCO[*:1] O=C1CCCC[C@H]1Sc1nnc2n(CCC[*:1])c(=O)c3ccccc3n12
CCOCCCn1c(=O)c2ccccc2n2c(S[C@@H]3CCCCC3=O)nnc12 CCOCC[*:1] O=C1CCCC[C@H]1Sc1nnc2n(C[*:1])c(=O)c3ccccc3n12
CCOCCCn1c(=O)c2ccccc2n2c(S[C@@H]3CCCCC3=O)nnc12 CCOCCC[*:1] O=C1CCCC[C@H]1Sc1nnc2n(c(=O)c3ccccc3n12)[*:1]
COc1ccc2cc([C@@H](C)C(=O)Nc3ccccc3CO)ccc2c1 OCc1ccccc1[*:1] COc1ccc2cc(ccc2c1)[C@@H](C)C(=O)N[*:1]
CC(=O)c1cccc(S(=O)(=O)NCC2C(C)(C)C2(C)C)c1 CC(=O)[*:1] CC1(C)C(CNS(=O)(=O)c2cccc(c2)[*:1])C1(C)C
CC(=O)c1cccc(S(=O)(=O)NCC2C(C)(C)C2(C)C)c1 CC1(C)C(C1(C)C)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)NC[*:1]
N#Cc1cccc(CN[C@@H](c2ccccc2)c2ccncc2)c1 c1cc(ccn1)[*:1] N#Cc1cccc(c1)CN[C@@H](c1ccccc1)[*:1]
N#Cc1cccc(CN[C@@H](c2ccccc2)c2ccncc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)CN[C@@H](c1ccncc1)[*:1]
CCCn1c(=O)oc2cc(NC(=O)c3ccccc3Br)ccc21 CCC[*:1] O=C(Nc1ccc2c(c1)oc(=O)n2[*:1])c1ccccc1Br
CCCn1c(=O)oc2cc(NC(=O)c3ccccc3Br)ccc21 Brc1ccccc1[*:1] CCCn1c(=O)oc2cc(ccc21)NC(=O)[*:1]
CS[C@@H]1CCC[C@H]1NC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 NC(=O)[*:1] CS[C@@H]1CCC[C@H]1NC(=O)N1CCN(CC1)[C@H](c1ccccc1)[*:1]
CS[C@@H]1CCC[C@H]1NC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CS[C@@H]1CCC[C@H]1NC(=O)N1CCN(CC1)[C@H](C(N)=O)[*:1]
CC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)NC1C(C)(C)C1(C)C O=C([O-])[*:1] CC[C@@H]1SC[C@@H](N1C(=O)NC1C(C)(C)C1(C)C)[*:1]
CCCN(CC(F)F)C(=O)NCCc1ncnn1C CCC[*:1] Cn1ncnc1CCNC(=O)N(CC(F)F)[*:1]
CCCN(CC(F)F)C(=O)NCCc1ncnn1C FC(F)C[*:1] CCCN(C(=O)NCCc1ncnn1C)[*:1]
CCCN(CC(F)F)C(=O)NCCc1ncnn1C FC(F)[*:1] CCCN(C[*:1])C(=O)NCCc1ncnn1C
CCCN(CC(F)F)C(=O)NCCc1ncnn1C Cn1ncnc1[*:1] CCCN(CC(F)F)C(=O)NCC[*:1]
CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(Br)cc2C)cc1 Cc1cc(Br)ccc1[*:1] CCOc1ccc(cc1)[C@H]1Nn2c(C)nnc2S[C@@H]1C(=O)N[*:1]
CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(Br)cc2C)cc1 CCO[*:1] Cc1cc(Br)ccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(Br)cc2C)cc1 CCOc1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1[*:1]
CCOC(=O)N1CCC(NC(=O)NCC2CC2)CC1 C1CC1[*:1] CCOC(=O)N1CCC(CC1)NC(=O)NC[*:1]
CCOC(=O)N1CCC(NC(=O)NCC2CC2)CC1 C1CC1C[*:1] CCOC(=O)N1CCC(CC1)NC(=O)N[*:1]
O=C(C=C1CCSCC1)N[C@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] O=C(C=C1CCSCC1)N[C@H]1CCN(C[*:1])C1=O
O=C(C=C1CCSCC1)N[C@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] O=C(C=C1CCSCC1)N[C@H]1CCN(C1=O)[*:1]
O=C(C=C1CCSCC1)N[C@H]1CCN(CC(F)(F)F)C1=O C(=C1CCSCC1)[*:1] O=C1[C@H](CCN1CC(F)(F)F)NC(=O)[*:1]
COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 COc1ccccc1[*:1] O=C1C[C@H](C(=O)N1c1ccc(Br)cc1)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 Brc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)[C@@H]1CC(=O)N(C1=O)[*:1]
CCOC(=O)c1cc(C)nc(Sc2ccc(C)cc2)c1C#N Cc1ccc(cc1)[*:1] CCOC(=O)c1cc(C)nc(S[*:1])c1C#N
CCOC(=O)c1cc(C)nc(Sc2ccc(C)cc2)c1C#N CCOC(=O)[*:1] Cc1ccc(cc1)Sc1nc(C)cc(c1C#N)[*:1]
Cc1ccc(NC(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)c(F)c1 Cc1ccc(c(F)c1)[*:1] C[C@H](NC(=O)N[*:1])c1noc(Cc2ccccc2)n1
Cc1ccc(NC(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)c(F)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)N[C@@H](C)c2noc(C[*:1])n2)c(F)c1
Cc1ccc(NC(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)c(F)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)N[C@@H](C)c2noc(n2)[*:1])c(F)c1
Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1c(n[nH]c1=S)[*:1])Nc1cccc(c1)C(F)(F)F
Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1n[nH]c(=S)n1CC(=O)Nc1cccc(c1)[*:1]
Cc1nn(CCO)c(C)c1C[NH+]1CCC(Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] Cc1nn(CCO)c(C)c1C[NH+]1CCC(CC1)C[*:1]
Cc1nn(CCO)c(C)c1C[NH+]1CCC(Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] Cc1nn(CCO)c(C)c1C[NH+]1CCC(CC1)[*:1]
Cc1nn(CCO)c(C)c1C[NH+]1CCC(Cc2cccc(F)c2)CC1 OCC[*:1] Cc1nn(c(C)c1C[NH+]1CCC(CC1)Cc1cccc(F)c1)[*:1]
Cc1sc2c(C)ccc(C)c2c1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1sc2c(C)ccc(C)c2c1[*:1]
COc1ccc(/C=C2\S/C(=N\S(=O)(=O)c3ccc([N+](=O)[O-])cc3)N(C)C2=O)cc1OC O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(/C=C2\S/C(=N\S(=O)(=O)[*:1])N(C)C2=O)cc1OC
COc1ccc(/C=C2\S/C(=N\S(=O)(=O)c3ccc([N+](=O)[O-])cc3)N(C)C2=O)cc1OC COc1ccc(cc1OC)[*:1] CN1C(=O)C(=C[*:1])S/C1=N\S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
COc1ccc(/C=C2\S/C(=N\S(=O)(=O)c3ccc([N+](=O)[O-])cc3)N(C)C2=O)cc1OC O=[N+]([O-])[*:1] COc1ccc(/C=C2\S/C(=N\S(=O)(=O)c3ccc(cc3)[*:1])N(C)C2=O)cc1OC
COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CN2CCN(C(=O)c3ccco3)CC2)cc1=O c1coc(c1)[*:1] COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(cc1=O)CN1CCN(CC1)C(=O)[*:1]
COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CN2CCN(C(=O)c3ccco3)CC2)cc1=O Cc1cc(C)cc(c1)NC(=O)[*:1] COc1cn(C[*:1])c(cc1=O)CN1CCN(CC1)C(=O)c1ccco1
COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CN2CCN(C(=O)c3ccco3)CC2)cc1=O Cc1cc(C)cc(c1)[*:1] COc1cn(CC(=O)N[*:1])c(cc1=O)CN1CCN(CC1)C(=O)c1ccco1
Cc1cnc(NC(=O)c2cn3c(C)cccc3n2)s1 Cc1cnc(s1)[*:1] Cc1cccc2nc(cn12)C(=O)N[*:1]
Cc1ccc(CC(=O)N2CC[NH+](C3CCCC3)CC2)cn1 C1CCC(C1)[*:1] Cc1ccc(cn1)CC(=O)N1CC[NH+](CC1)[*:1]
Cc1ccc(CC(=O)N2CC[NH+](C3CCCC3)CC2)cn1 Cc1ccc(cn1)[*:1] O=C(C[*:1])N1CC[NH+](CC1)C1CCCC1
O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@H](CS[*:1])C1
O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)S[*:1] O=C(c1cc(=O)c2ccccc2o1)N1CC[C@H](C1)C[*:1]
O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)SC[*:1] O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@H](C1)[*:1]
Cc1nn(C(C)C)c(C)c1NC(=O)c1nn(C)c2ccc(Cl)cc2c1=O CC(C)[*:1] Cc1nn(c(C)c1NC(=O)c1nn(C)c2ccc(Cl)cc2c1=O)[*:1]
Cc1csc([C@H](Cc2ccsc2)NC(=O)c2ccc(=O)n(C)c2)n1 c1cc(cs1)C[*:1] Cc1csc(n1)[C@H](NC(=O)c1ccc(=O)n(C)c1)[*:1]
Cc1csc([C@H](Cc2ccsc2)NC(=O)c2ccc(=O)n(C)c2)n1 Cn1cc(ccc1=O)[*:1] Cc1csc(n1)[C@H](Cc1ccsc1)NC(=O)[*:1]
Cc1csc([C@H](Cc2ccsc2)NC(=O)c2ccc(=O)n(C)c2)n1 c1cc(cs1)[*:1] Cc1csc(n1)[C@H](C[*:1])NC(=O)c1ccc(=O)n(C)c1
Cc1csc([C@H](Cc2ccsc2)NC(=O)c2ccc(=O)n(C)c2)n1 Cc1csc(n1)[*:1] Cn1cc(ccc1=O)C(=O)N[C@@H](Cc1ccsc1)[*:1]
CC(C)(C)c1ccc(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 CC(C)(C)[*:1] O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NC[C@H]1CC(=O)N(C1)C[*:1]
CC(C)(C)c1ccc(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 c1ccc(cc1)C[*:1] CC(C)(C)c1ccc(cc1)C(=O)NC[C@H]1CC(=O)N(C1)[*:1]
CC(C)C[C@H](CNC(=O)Nc1cccc2cnccc12)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1cccc2cnccc12)C[*:1]
CC(C)C[C@H](CNC(=O)Nc1cccc2cnccc12)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1cccc2cnccc12)[*:1]
CC[C@H]1CS/C(=N\c2ccccc2Oc2ccccc2)N1 c1ccc(cc1)[*:1] CC[C@H]1CS/C(=N\c2ccccc2O[*:1])N1
CC[C@H]1CS/C(=N\c2ccccc2Oc2ccccc2)N1 c1ccc(cc1)O[*:1] CC[C@H]1CS/C(=N\c2ccccc2[*:1])N1
COc1cccc2cc(C(=O)N3CCN(c4c(C)nn(-c5ccccn5)c4C)CC3)c(=O)oc12 c1ccc(nc1)[*:1] COc1cccc2cc(C(=O)N3CCN(CC3)c3c(C)nn(c3C)[*:1])c(=O)oc12
CCC[NH2+][C@@H](c1c(F)cccc1F)[C@@H]1CN(CC)CCO1 CCC[*:1] CCN1CCO[C@@H](C1)[C@@H]([NH2+][*:1])c1c(F)cccc1F
CN(c1nc(C(F)F)nc2ccccc12)C1CCS(=O)CC1 O=S1CCC(CC1)[*:1] CN(c1nc(nc2ccccc12)C(F)F)[*:1]
CN(c1nc(C(F)F)nc2ccccc12)C1CCS(=O)CC1 FC(F)[*:1] CN(c1nc(nc2ccccc12)[*:1])C1CCS(=O)CC1
O=C(Cc1c(F)cccc1Cl)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(Cc1c(F)cccc1Cl)N[C@@H](CO)[*:1]
COC(=O)c1ccccc1NC(=O)Cn1nc(C)c2nn(-c3ccc(Cl)cc3)c(C)c2c1=O COC(=O)c1ccccc1[*:1] Cc1nn(CC(=O)N[*:1])c(=O)c2c(C)n(nc12)-c1ccc(Cl)cc1
COC(=O)c1ccccc1NC(=O)Cn1nc(C)c2nn(-c3ccc(Cl)cc3)c(C)c2c1=O Clc1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)Cn1nc(C)c2nn(c(C)c2c1=O)[*:1]
COC(=O)c1ccccc1NC(=O)Cn1nc(C)c2nn(-c3ccc(Cl)cc3)c(C)c2c1=O COC(=O)[*:1] Cc1nn(CC(=O)Nc2ccccc2[*:1])c(=O)c2c(C)n(nc12)-c1ccc(Cl)cc1
COC[C@H](C)OC(=O)COc1cc(F)ccc1F COC[*:1] C[C@H](OC(=O)COc1cc(F)ccc1F)[*:1]
COC[C@H](C)OC(=O)COc1cc(F)ccc1F COC[C@H](C)[*:1] O=C(COc1cc(F)ccc1F)O[*:1]
COc1cccc([C@H]2C[NH+]=C(N)N2C2CCCCCC2)c1 C1CCCC(CC1)[*:1] COc1cccc(c1)[C@H]1C[NH+]=C(N)N1[*:1]
CSc1ccccc1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C CSc1ccccc1[*:1] C[C@H]1Cc2cccc3c(=O)c(cn1c23)C(=O)N[*:1]
CCc1ccc(Cn2c(CNS(=O)(=O)c3ccccc3Cl)nc3cccnc32)cc1 Clc1ccccc1[*:1] CCc1ccc(cc1)Cn1c(CNS(=O)(=O)[*:1])nc2cccnc21
CCc1ccc(Cn2c(CNS(=O)(=O)c3ccccc3Cl)nc3cccnc32)cc1 CCc1ccc(cc1)[*:1] O=S(=O)(NCc1nc2cccnc2n1C[*:1])c1ccccc1Cl
CCc1ccc(Cn2c(CNS(=O)(=O)c3ccccc3Cl)nc3cccnc32)cc1 CCc1ccc(cc1)C[*:1] O=S(=O)(NCc1nc2cccnc2n1[*:1])c1ccccc1Cl
Cn1c[nH+]c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1Cl C1CO[C@H](C1)[*:1] Cn1c[nH+]c(c1Cl)S(=O)(=O)[N-]C[*:1]
C[C@@H](Sc1nncs1)C(=O)Nc1cccc(C(F)(F)F)c1 c1nnc(s1)[*:1] C[C@@H](S[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
C[C@@H](Sc1nncs1)C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](Sc1nncs1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](Sc1nncs1)C(=O)Nc1cccc(C(F)(F)F)c1 c1nnc(S[*:1])s1 C[C@@H](C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
CCC(CC)c1nnc(NC(=O)c2cc3c(s2)CCCC3)s1 CCC(CC)[*:1] O=C(Nc1nnc(s1)[*:1])c1cc2CCCCc2s1
Cc1cccc(C)c1OC1CN(C(=O)c2ccc3nccn3c2)C1 Cc1cccc(C)c1[*:1] O=C(c1ccc2nccn2c1)N1CC(C1)O[*:1]
C[C@@H](c1cccc(N)c1)N1C(=O)CC2(CCCCC2)C1=O Nc1cccc(c1)[*:1] C[C@@H](N1C(=O)CC2(CCCCC2)C1=O)[*:1]
CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 c1cc2OCCOc2cc1[*:1] CN(C[*:1])C(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21
C[C@H](NC(=O)NC1(c2ccccc2)CCC1)c1nc(C2CCCCC2)no1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NC1(CCC1)[*:1])c1nc(no1)C1CCCCC1
C[C@H](NC(=O)NC1(c2ccccc2)CCC1)c1nc(C2CCCCC2)no1 C1CCC(CC1)[*:1] C[C@H](NC(=O)NC1(CCC1)c1ccccc1)c1nc(no1)[*:1]
COCCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)CN(C(=O)c2ccccc2)C1 Cc1cc(ccc1F)[*:1] COCCNC(=O)[C@H]1C[C@@H](CN(C1)C(=O)c1ccccc1)[*:1]
COCCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)CN(C(=O)c2ccccc2)C1 COC[*:1] Cc1cc(ccc1F)[C@@H]1C[C@@H](CN(C1)C(=O)c1ccccc1)C(=O)NC[*:1]
COCCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)CN(C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] COCCNC(=O)[C@H]1C[C@H](CN(C1)C(=O)[*:1])c1ccc(F)c(C)c1
COCCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)CN(C(=O)c2ccccc2)C1 COCCNC(=O)[*:1] Cc1cc(ccc1F)[C@@H]1C[C@@H](CN(C1)C(=O)c1ccccc1)[*:1]
COCCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)CN(C(=O)c2ccccc2)C1 COCC[*:1] Cc1cc(ccc1F)[C@@H]1C[C@@H](CN(C1)C(=O)c1ccccc1)C(=O)N[*:1]
COCCn1c(C)cc(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)c1C COCC[*:1] Cc1cc(CN2CCN(CC2)C(=O)C(=O)N2CCCC2)c(C)n1[*:1]
COCCn1c(C)cc(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)c1C COC[*:1] Cc1cc(CN2CCN(CC2)C(=O)C(=O)N2CCCC2)c(C)n1C[*:1]
CCc1nn(C)cc1NC(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O C1CC1[*:1] CCc1nn(C)cc1NC(=O)N([C@H](C)CS(C)(=O)=O)[*:1]
CCc1nn(C)cc1NC(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCc1nn(C)cc1NC(=O)N(C1CC1)[C@H](C)[*:1]
CCc1nn(C)cc1NC(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O C[C@H](CS(C)(=O)=O)[*:1] CCc1nn(C)cc1NC(=O)N(C1CC1)[*:1]
CCc1nn(C)cc1NC(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCc1nn(C)cc1NC(=O)N(C1CC1)[C@H](C)C[*:1]
O=C(NOCc1ccccc1)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NOC[*:1])c1ccc(=O)n(Cc2ccccc2)n1
O=C(NOCc1ccccc1)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(NOCc1ccccc1)c1ccc(=O)n(n1)[*:1]
O=C(NOCc1ccccc1)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(NO[*:1])c1ccc(=O)n(Cc2ccccc2)n1
O=C(NOCc1ccccc1)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NOCc1ccccc1)c1ccc(=O)n(C[*:1])n1
C[C@@H](C(=O)N1CCOC[C@@H]1C1CC1)n1c(=O)oc2ccccc21 C1CC1[*:1] C[C@@H](C(=O)N1CCOC[C@H]1[*:1])n1c(=O)oc2ccccc21
COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 COc1ccccc1[*:1] O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 c1ccc2[nH]c(nc2c1)S[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)C[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)CS[*:1]
Cc1ccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)[C@H]([NH3+])C[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)[*:1]
Cc1nc(-c2cccc(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(NCc1cccc(c1)[*:1])[C@@H]1C[C@@H]2C=C[C@H]1C2
Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4)c3)nc2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2oc(nc2c1)-c1cccc(c1)NC(=S)NC(=O)[*:1]
C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)[C@@H](C)n1cccn1 c1cnn(c1)[*:1] C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)[C@@H](C)[*:1]
C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)[C@@H](C)n1cccn1 C[C@@H](n1cccn1)[*:1] C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)[*:1]
O=C(c1ccc([N+](=O)[O-])cc1)N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 C1CN(CCO1)C[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N(CC[*:1])c1nc2c(F)cc(F)cc2s1
O=C(c1ccc([N+](=O)[O-])cc1)N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 C1CN(CCO1)CC[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N(C[*:1])c1nc2c(F)cc(F)cc2s1
O=C(c1ccc([N+](=O)[O-])cc1)N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 O=[N+]([O-])[*:1] O=C(c1ccc(cc1)[*:1])N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1
O=C(c1ccc([N+](=O)[O-])cc1)N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1)[*:1]
O=C(c1ccc([N+](=O)[O-])cc1)N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 C1CN(CCO1)[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N(CCC[*:1])c1nc2c(F)cc(F)cc2s1
O=C(c1ccc([N+](=O)[O-])cc1)N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 C(CN1CCOCC1)C[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N(c1nc2c(F)cc(F)cc2s1)[*:1]
CCC[C@H](C[NH2+]C1CC1)c1ccccc1Cl CCC[*:1] Clc1ccccc1[C@@H](C[NH2+]C1CC1)[*:1]
CCC[C@H](C[NH2+]C1CC1)c1ccccc1Cl C1CC1[*:1] CCC[C@H](C[NH2+][*:1])c1ccccc1Cl
C[C@H](CC[NH2+][C@@H]1CCOC2(CCC2)C1)CCC(=O)[O-] O=C([O-])CC[*:1] C[C@H](CC[NH2+][C@@H]1CCOC2(CCC2)C1)[*:1]
C[C@H](CC[NH2+][C@@H]1CCOC2(CCC2)C1)CCC(=O)[O-] O=C([O-])C[*:1] C[C@H](CC[NH2+][C@@H]1CCOC2(CCC2)C1)C[*:1]
C[C@H](CC[NH2+][C@@H]1CCOC2(CCC2)C1)CCC(=O)[O-] O=C([O-])[*:1] C[C@H](CC[NH2+][C@@H]1CCOC2(CCC2)C1)CC[*:1]
Cc1cnc(N2C(=O)[C@@H](C)S[C@H]2c2cccs2)s1 c1csc(c1)[*:1] Cc1cnc(s1)N1C(=O)[C@@H](C)S[C@@H]1[*:1]
Cc1cnc(N2C(=O)[C@@H](C)S[C@H]2c2cccs2)s1 Cc1cnc(s1)[*:1] C[C@H]1S[C@@H](c2cccs2)N(C1=O)[*:1]
Cc1cc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)ccc1-n1cncn1 c1ncn(n1)[*:1] Cc1cc(ccc1[*:1])C[NH+]1CCC(CC1)CC(=O)N1CCN(C)CC1
Cc1cc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)ccc1-n1cncn1 CN1CCN(CC1)C(=O)[*:1] Cc1cc(ccc1-n1cncn1)C[NH+]1CCC(CC1)C[*:1]
COc1cccc(SCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1 COc1cccc(c1)SC[*:1] O=C(c1oc2ccccc2c1NC(=O)[*:1])N1CCOCC1
COc1cccc(SCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1 O=C(N1CCOCC1)[*:1] COc1cccc(c1)SCC(=O)Nc1c(oc2ccccc12)[*:1]
COc1cccc(SCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1 COc1cccc(c1)[*:1] O=C(CS[*:1])Nc1c(oc2ccccc12)C(=O)N1CCOCC1
COc1cccc(SCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1 COc1cccc(c1)S[*:1] O=C(C[*:1])Nc1c(oc2ccccc12)C(=O)N1CCOCC1
O=C(COc1ccc(I)cc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COc1ccc(I)cc1)N[*:1]
COc1ccc([C@H]2C/C(=C3\C(=O)NC(=O)N(c4ccccc4OC)C3=O)NN2C(C)=O)cc1 COc1ccccc1[*:1] COc1ccc(cc1)[C@H]1C/C(NN1C(C)=O)=C1\C(=O)NC(=O)N(C1=O)[*:1]
COc1ccc([C@H]2C/C(=C3\C(=O)NC(=O)N(c4ccccc4OC)C3=O)NN2C(C)=O)cc1 COc1ccc(cc1)[*:1] COc1ccccc1N1C(=O)NC(=O)/C(C1=O)=C1\C[C@@H](N(N1)C(C)=O)[*:1]
COc1ccc([C@H](NC(=O)NC2CCOCC2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)NC1CCOCC1)[*:1]
COc1ccc([C@H](NC(=O)NC2CCOCC2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)N[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)NC2CCOCC2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC1CCOCC1)N[C@H](C1CCOCC1)[*:1]
Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] C[C@H](Oc1ccc(cc1)C(C)(C)C)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)(C)c1ccc(cc1)[*:1] Cc1ccc(cc1)CN(C(=O)[C@H](C)O[*:1])[C@H]1CCS(=O)(=O)C1
Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)C[*:1] C[C@H](Oc1ccc(cc1)C(C)(C)C)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)CN(C(=O)[C@H](C)Oc1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
NC(=O)NC(=O)OCCCN1CCc2c(Br)cccc2C1 NC(=O)NC(=O)O[*:1] Brc1cccc2CN(CCC[*:1])CCc12
CC(C)[C@H](C#N)OC(=O)CCC(=O)c1ccc2c(c1)CCCC2 CC(C)[*:1] N#C[C@H](OC(=O)CCC(=O)c1ccc2CCCCc2c1)[*:1]
CCC(C)(C)NC(=O)C[NH+]1CCSC(C)(C)C1 CCC(C)(C)[*:1] CC1(C)C[NH+](CCS1)CC(=O)N[*:1]
C=CCN1C(=O)CSc2cnn(CC(=O)Nc3ccccc3OCC)c(=O)c21 CCOc1ccccc1[*:1] C=CCN1C(=O)CSc2cnn(CC(=O)N[*:1])c(=O)c21
C=CCN1C(=O)CSc2cnn(CC(=O)Nc3ccccc3OCC)c(=O)c21 CCO[*:1] C=CCN1C(=O)CSc2cnn(CC(=O)Nc3ccccc3[*:1])c(=O)c21
C=CCN1C(=O)CSc2cnn(CC(=O)Nc3ccccc3OCC)c(=O)c21 C=CC[*:1] CCOc1ccccc1NC(=O)Cn1ncc2SCC(=O)N(c2c1=O)[*:1]
COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1CN1CCOCC1 c1cc2OCOc2cc1[*:1] COc1ccc(/C=C(\C#N)C(=O)NC[*:1])cc1CN1CCOCC1
COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1CN1CCOCC1 C1CN(CCO1)C[*:1] COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3OCOc3c2)cc1[*:1]
COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1CN1CCOCC1 c1cc2OCOc2cc1C[*:1] COc1ccc(/C=C(\C#N)C(=O)N[*:1])cc1CN1CCOCC1
COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1CN1CCOCC1 C1CN(CCO1)[*:1] COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3OCOc3c2)cc1C[*:1]
COc1ccc(N2C[C@H](C(=O)Nn3cnc4c(cnn4-c4ccccc4)c3=O)CC2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nn1cnc2c(cnn2[*:1])c1=O
COc1ccc(N2C[C@H](C(=O)Nn3cnc4c(cnn4-c4ccccc4)c3=O)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)[C@@H]1CC(=O)N(C1)[*:1]
CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 Clc1cccc(c1Cl)[*:1] CN(C[*:1])C(=O)[C@@H]1Cc2ccccc2C(=O)O1
CS(=O)(=O)[C@H]1CSCCN1C(=O)c1cc(F)c(F)c(F)c1 CS(=O)(=O)[*:1] O=C(c1cc(F)c(F)c(F)c1)N1CCSC[C@@H]1[*:1]
Cc1occc1C(=O)/C(C#N)=C/c1csc(Br)c1 Brc1cc(cs1)[*:1] Cc1occc1C(=O)C(C#N)=C[*:1]
Cc1occc1C(=O)/C(C#N)=C/c1csc(Br)c1 Cc1occc1[*:1] N#C/C(=C\c1csc(Br)c1)C(=O)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Oc1cccc(F)c1 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Oc1cccc(F)c1
CCCC(=CC(=O)N1CCCC[C@H]1c1ncon1)CCC c1nc(no1)[*:1] CCCC(=CC(=O)N1CCCC[C@@H]1[*:1])CCC
CCCC(=CC(=O)N1CCCC[C@H]1c1ncon1)CCC CCC[*:1] CCCC(=CC(=O)N1CCCC[C@H]1c1ncon1)[*:1]
Cc1ccc(C)c(SCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1 Clc1cccc(Cl)c1[*:1] Cc1ccc(C)c(c1)SCC(=O)N(C)CC(=O)N[*:1]
Cc1ccc(C)c(SCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1 Cc1ccc(C)c(c1)[*:1] CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CS[*:1]
O=C(NC1CCCC1)[C@@H](c1cccnc1)N(C(=O)c1ccc(Cl)nc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(NC1CCCC1)[C@@H](c1cccnc1)N(C(=O)c1ccc(Cl)nc1)[*:1]
O=C(NC1CCCC1)[C@@H](c1cccnc1)N(C(=O)c1ccc(Cl)nc1)c1ccc2c(c1)OCO2 O=C(NC1CCCC1)[*:1] O=C(c1ccc(Cl)nc1)N(c1ccc2OCOc2c1)[C@H](c1cccnc1)[*:1]
O=C(NC1CCCC1)[C@@H](c1cccnc1)N(C(=O)c1ccc(Cl)nc1)c1ccc2c(c1)OCO2 c1cncc(c1)[*:1] O=C(NC1CCCC1)[C@@H](N(C(=O)c1ccc(Cl)nc1)c1ccc2OCOc2c1)[*:1]
O=C(NC1CCCC1)[C@@H](c1cccnc1)N(C(=O)c1ccc(Cl)nc1)c1ccc2c(c1)OCO2 C1CCC(C1)[*:1] O=C(N[*:1])[C@@H](c1cccnc1)N(C(=O)c1ccc(Cl)nc1)c1ccc2OCOc2c1
O=C(NC1CCCC1)[C@@H](c1cccnc1)N(C(=O)c1ccc(Cl)nc1)c1ccc2c(c1)OCO2 Clc1ccc(cn1)[*:1] O=C(NC1CCCC1)[C@@H](c1cccnc1)N(C(=O)[*:1])c1ccc2OCOc2c1
COc1ccc(-c2noc(N3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc(n1)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)[*:1]
COc1ccc(-c2noc(N3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)n2)cc1 COc1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)c1nc(no1)[*:1])N1CCN(CC1)c1ccccc1
CN(CCCC(=O)[O-])C(=O)c1ccc(Br)o1 O=C([O-])CC[*:1] CN(C[*:1])C(=O)c1ccc(Br)o1
CN(CCCC(=O)[O-])C(=O)c1ccc(Br)o1 O=C([O-])[*:1] CN(CCC[*:1])C(=O)c1ccc(Br)o1
CN(CCCC(=O)[O-])C(=O)c1ccc(Br)o1 O=C([O-])C[*:1] CN(CC[*:1])C(=O)c1ccc(Br)o1
C[C@@H](C(N)=O)N1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 N#Cc1cccc(c1)C[*:1] C[C@@H](C(N)=O)N1CC[NH+](CC1)Cc1cccc(c1)O[*:1]
C[C@@H](C(N)=O)N1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 N#Cc1cccc(c1)[*:1] C[C@@H](C(N)=O)N1CC[NH+](CC1)Cc1cccc(c1)OC[*:1]
C[C@@H](C(N)=O)N1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 NC(=O)[*:1] C[C@@H](N1CC[NH+](CC1)Cc1cccc(c1)OCc1cccc(C#N)c1)[*:1]
Cc1cc(C)cc(CS(=O)(=O)CC(=O)NCc2ccccc2C)c1 Cc1ccccc1[*:1] Cc1cc(C)cc(c1)CS(=O)(=O)CC(=O)NC[*:1]
Cc1cc(C)cc(CS(=O)(=O)CC(=O)NCc2ccccc2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1ccccc1CNC(=O)CS(=O)(=O)C[*:1]
Cc1cc(C)cc(CS(=O)(=O)CC(=O)NCc2ccccc2C)c1 Cc1ccccc1C[*:1] Cc1cc(C)cc(c1)CS(=O)(=O)CC(=O)N[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC=C[*:1])CC1
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 C(=C[*:1])c1ccccc1 C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)C[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 C(=C/c1ccccc1)\C[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)[*:1]
CN(C)C(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
CN(C)C(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 CN(C)C(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@@H]1c1ccc2OCOc2c1
Cc1cc(C)n(-c2ccc(NC(=O)N[C@H](C)[C@@H](C)CO)cc2F)n1 C[C@@H](CO)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)NC(=O)N[C@H](C)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)N[C@H](C)[C@@H](C)CO)cc2F)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccc(c(F)c1)[*:1]
Cc1cc(NC(=O)NCCO)ccc1F OCC[*:1] Cc1cc(ccc1F)NC(=O)N[*:1]
C[C@@H](CC[NH+](C)C)NC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H](CC[NH+](C)C)NC(=O)N1C[C@H](C)O[C@H](C1)[*:1]
COc1ccc(OC)c(NC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 c1cnc(nc1)[*:1] COc1ccc(OC)c(c1)NC(=O)[C@H]1CCCN(C1)[*:1]
O=C(NCc1cccs1)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 c1csc(c1)C[*:1] O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N[*:1]
O=C(NCc1cccs1)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 c1csc(c1)[*:1] O=C(NC[*:1])N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 CC[C@H](C)[*:1] O=C1c2ccccc2N[C@H](c2ccc(Cl)c(c2)[N+](=O)[O-])N1[*:1]
CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)c(c1)[*:1]
COC(=O)c1cccc(N2CCC([C@@H](C)O)CC2)n1 COC(=O)[*:1] C[C@@H](O)C1CCN(CC1)c1cccc(n1)[*:1]
COC(=O)c1cccc(N2CCC([C@@H](C)O)CC2)n1 C[C@@H](O)[*:1] COC(=O)c1cccc(n1)N1CCC(CC1)[*:1]
COc1ccccc1COC1CC[NH+](Cc2cccc(Cl)n2)CC1 Clc1cccc(n1)[*:1] COc1ccccc1COC1CC[NH+](CC1)C[*:1]
COc1ccccc1COC1CC[NH+](Cc2cccc(Cl)n2)CC1 Clc1cccc(C[*:1])n1 COc1ccccc1COC1CC[NH+](CC1)[*:1]
COc1ccccc1COC1CC[NH+](Cc2cccc(Cl)n2)CC1 COc1ccccc1[*:1] Clc1cccc(C[NH+]2CCC(CC2)OC[*:1])n1
COC[C@H](C)NC(=O)C[NH+]1CCC2(CC1)OCCO2 COC[*:1] C[C@H](NC(=O)C[NH+]1CCC2(CC1)OCCO2)[*:1]
COC[C@H](C)NC(=O)C[NH+]1CCC2(CC1)OCCO2 COC[C@H](C)[*:1] O=C(C[NH+]1CCC2(CC1)OCCO2)N[*:1]
CCC[NH2+][C@H](COC)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CCC[NH2+][C@H](COC)c1cc(ccc1F)[*:1]
CCC[NH2+][C@H](COC)c1cc(C(F)(F)F)ccc1F COC[*:1] CCC[NH2+][C@H](c1cc(ccc1F)C(F)(F)F)[*:1]
CCC[NH2+][C@H](COC)c1cc(C(F)(F)F)ccc1F CCC[*:1] COC[C@@H]([NH2+][*:1])c1cc(ccc1F)C(F)(F)F
COC(=O)c1ccc([C@H](C)OCCc2scnc2C)o1 Cc1ncsc1[*:1] COC(=O)c1ccc(o1)[C@H](C)OCC[*:1]
COC(=O)c1ccc([C@H](C)OCCc2scnc2C)o1 COC(=O)[*:1] Cc1ncsc1CCO[C@@H](C)c1ccc(o1)[*:1]
Cc1ncc(C[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)s1 Cc1ncc(s1)[*:1] C1CCN2C[C@H](C[NH2+]C[*:1])OC[C@H]2C1
Cc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] Cc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCCC[C@@H]1[*:1]
Cc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] Cc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCCC[C@H]1O[*:1]
Cc1c(C(=O)NC[C@H](C)Nc2ccccc2)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NC[C@H](C)N[*:1]
Cc1c(C(=O)NC[C@H](C)Nc2ccccc2)cccc1[N+](=O)[O-] c1ccc(cc1)N[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NC[C@H](C)[*:1]
Cc1c(C(=O)NC[C@H](C)Nc2ccccc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NC[C@H](C)Nc1ccccc1
C=CCNC(=O)c1ccc(NC(=O)N(C)Cc2c(C)noc2C)cc1 C=CCNC(=O)[*:1] Cc1noc(C)c1CN(C)C(=O)Nc1ccc(cc1)[*:1]
C=CCNC(=O)c1ccc(NC(=O)N(C)Cc2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)N(C)C[*:1]
C=CCNC(=O)c1ccc(NC(=O)N(C)Cc2c(C)noc2C)cc1 C=CC[*:1] Cc1noc(C)c1CN(C)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C=CCNC(=O)c1ccc(NC(=O)N(C)Cc2c(C)noc2C)cc1 Cc1noc(C)c1C[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)N(C)[*:1]
CS(=O)(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CS(=O)(=O)N1CCC[C@H](CCc2cccc(c2)[*:1])C1
C=C(C)CC(C)(C)[C@@H]1CC[C@H](C)CC1=O C=C(C)C[*:1] C[C@H]1CC[C@H](C(=O)C1)C(C)(C)[*:1]
C=C(C)CC(C)(C)[C@@H]1CC[C@H](C)CC1=O C=C(C)[*:1] C[C@H]1CC[C@H](C(=O)C1)C(C)(C)C[*:1]
COc1ccc([C@H]2C[C@H](C(=O)N3CCCC[C@@H]3C)N(C)S(=O)(=O)N2)cc1 COc1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)[C@H]1C[C@@H](NS(=O)(=O)N1C)[*:1]
O=C([O-])CNc1ccccc1C(=O)N1CCCC1 O=C([O-])[*:1] O=C(c1ccccc1NC[*:1])N1CCCC1
O=C([O-])CNc1ccccc1C(=O)N1CCCC1 O=C([O-])CN[*:1] O=C(c1ccccc1[*:1])N1CCCC1
O=C([O-])CNc1ccccc1C(=O)N1CCCC1 O=C([O-])C[*:1] O=C(c1ccccc1N[*:1])N1CCCC1
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)C(C#N)=C[*:1]
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(F)c2)cc1 CCOC(=O)[*:1] N#C/C(=C\c1cccc(F)c1)C(=O)Nc1ccc(cc1)[*:1]
CC1(C)CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 Clc1ccc(cc1)[*:1] CC1(C)CCN(C1)C(=O)c1csc(n1)[*:1]
C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)C1=O)[*:1]
C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(NC(=O)CSc2ncnc3c2cnn3[*:1])C1=O)c1ccccc1
CN(C)c1cccc(C(=O)N2CCSc3ccccc32)c1 CN(C)[*:1] O=C(c1cccc(c1)[*:1])N1CCSc2ccccc21
COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCSCC2)C12CCCC2 O=C(N1CCSCC1)[*:1] COCCN1C(=O)c2ccccc2[C@@H](C12CCCC2)[*:1]
COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCSCC2)C12CCCC2 COCC[*:1] O=C([C@@H]1c2ccccc2C(=O)N(C12CCCC2)[*:1])N1CCSCC1
COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCSCC2)C12CCCC2 COC[*:1] O=C([C@@H]1c2ccccc2C(=O)N(C[*:1])C12CCCC2)N1CCSCC1
CSCC(=O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] CSC[*:1] O=C(NNC(=O)[*:1])[C@@H]1C[C@H]1[N+](=O)[O-]
CSCC(=O)NNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] CSCC(=O)NNC(=O)[C@@H]1C[C@@H]1[*:1]
C[C@H](Oc1ccccc1Br)C(=O)N/N=C\c1cc(Cl)ccc1[N+](=O)[O-] Brc1ccccc1[*:1] C[C@H](O[*:1])C(=O)N/N=C\c1cc(Cl)ccc1[N+](=O)[O-]
C[C@H](Oc1ccccc1Br)C(=O)N/N=C\c1cc(Cl)ccc1[N+](=O)[O-] Brc1ccccc1O[*:1] C[C@H](C(=O)N/N=C\c1cc(Cl)ccc1[N+](=O)[O-])[*:1]
C[C@H](Oc1ccccc1Br)C(=O)N/N=C\c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](Oc1ccccc1Br)C(=O)N/N=C\c1cc(Cl)ccc1[*:1]
COCCN(Cc1ccccc1)C(=O)N[C@@H]1CCCc2c1cnn2C COCC[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)N(Cc1ccccc1)[*:1]
COCCN(Cc1ccccc1)C(=O)N[C@@H]1CCCc2c1cnn2C COC[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)N(Cc1ccccc1)C[*:1]
COCCN(Cc1ccccc1)C(=O)N[C@@H]1CCCc2c1cnn2C c1ccc(cc1)C[*:1] COCCN(C(=O)N[C@@H]1CCCc2c1cnn2C)[*:1]
COCCN(Cc1ccccc1)C(=O)N[C@@H]1CCCc2c1cnn2C c1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)N[C@@H]1CCCc2c1cnn2C
C[C@H](NC(=O)NCc1ccccc1)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc2ccccc2c1
C[C@H](NC(=O)NCc1ccccc1)c1ccc2ccccc2c1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N[*:1])c1ccc2ccccc2c1
Cn1ncnc1NC(=O)NCCCCC1CCCC1 Cn1ncnc1[*:1] O=C(NCCCCC1CCCC1)N[*:1]
Cn1ncnc1NC(=O)NCCCCC1CCCC1 C1CCC(C1)C[*:1] Cn1ncnc1NC(=O)NCCC[*:1]
Cn1ncnc1NC(=O)NCCCCC1CCCC1 C1CCC(C1)[*:1] Cn1ncnc1NC(=O)NCCCC[*:1]
CC[C@@H](C)CN(CC)c1ncc(Br)cn1 CC[C@@H](C)[*:1] CCN(C[*:1])c1ncc(Br)cn1
CC[C@@H](C)CN(CC)c1ncc(Br)cn1 CC[C@@H](C)C[*:1] CCN(c1ncc(Br)cn1)[*:1]
Cc1c(C(=O)Nc2cccc(COCC3CC3)c2)cnn1-c1ccncc1 C1CC1[*:1] Cc1c(cnn1-c1ccncc1)C(=O)Nc1cccc(c1)COC[*:1]
Cc1c(C(=O)Nc2cccc(COCC3CC3)c2)cnn1-c1ccncc1 C1CC1COC[*:1] Cc1c(cnn1-c1ccncc1)C(=O)Nc1cccc(c1)[*:1]
Cc1c(C(=O)Nc2cccc(COCC3CC3)c2)cnn1-c1ccncc1 C1CC1C[*:1] Cc1c(cnn1-c1ccncc1)C(=O)Nc1cccc(c1)CO[*:1]
Cc1c(C(=O)Nc2cccc(COCC3CC3)c2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cccc(c1)COCC1CC1
Cc1c(C(=O)Nc2cccc(COCC3CC3)c2)cnn1-c1ccncc1 C1CC1CO[*:1] Cc1c(cnn1-c1ccncc1)C(=O)Nc1cccc(c1)C[*:1]
O=S1(=O)C[C@H](S(=O)(=O)[O-])[C@H](S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] O=S1(=O)C[C@@H]([C@@H](C1)S(=O)(=O)[*:1])S(=O)(=O)[O-]
O=S1(=O)C[C@H](S(=O)(=O)[O-])[C@H](S(=O)(=O)c2ccccc2)C1 O=S(=O)([O-])[*:1] O=S1(=O)C[C@H]([C@@H](C1)S(=O)(=O)c1ccccc1)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)c1C c1ccc2c(c[nH]c2c1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(o2)[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)[C@H](C)Sc2nnc(o2)-c2c[nH]c3ccccc23)c(C)c1[*:1]
CCCC1(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 CCCC1(CC1)C[*:1] C[C@H]([NH2+][*:1])c1ccc(cc1)-n1cnnn1
CCCC1(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 CCC[*:1] C[C@H]([NH2+]CC1(CC1)[*:1])c1ccc(cc1)-n1cnnn1
CCCC1(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 CCCC1(CC1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(cc1)-n1cnnn1
CCCC1(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 c1nnnn1[*:1] CCCC1(CC1)C[NH2+][C@@H](C)c1ccc(cc1)[*:1]
C[C@H](C[NH+]1CCCCC1)[N-]S(=O)(=O)c1[nH+]cn(C)c1Cl C1CC[NH+](CC1)[*:1] C[C@H](C[*:1])[N-]S(=O)(=O)c1[nH+]cn(C)c1Cl
O=S(=O)(CCc1ccccc1)Cc1cc(Cl)c2c(c1)OCCO2 c1ccc(cc1)[*:1] O=S(=O)(CC[*:1])Cc1cc(Cl)c2OCCOc2c1
O=S(=O)(CCc1ccccc1)Cc1cc(Cl)c2c(c1)OCCO2 c1ccc(cc1)C[*:1] O=S(=O)(Cc1cc(Cl)c2OCCOc2c1)C[*:1]
O=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=S(=O)(NC[C@H](N1CCOCC1)[*:1])c1ccc2ccccc2c1
O=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc2ccccc2c1 C1CN(CCO1)[*:1] O=S(=O)(NC[C@H](c1ccccc1)[*:1])c1ccc2ccccc2c1
Cc1cc(=O)n(C)cc1NC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1cc(=O)n(C)cc1NC(=O)[C@]1(C)CCN(C1)C(=O)O[*:1]
C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CCCC1 C1CCC(C1)[*:1] C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[*:1]
N#Cc1ccc(N2CCN(c3ncc(Br)cn3)CC2)nc1 Brc1cnc(nc1)[*:1] N#Cc1ccc(nc1)N1CCN(CC1)[*:1]
CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC CNC(=O)[*:1] COc1ccccc1[C@H]1[C@H](CCC(=O)N1c1ccc(C)cc1)[*:1]
CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC COc1ccccc1[*:1] CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1[*:1]
CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC Cc1ccc(cc1)[*:1] CNC(=O)[C@H]1CCC(=O)N([C@H]1c1ccccc1OC)[*:1]
Cc1c([C@H](C)NC(=O)c2cn3cccnc3n2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@H](C)NC(=O)c1cn2cccnc2n1
O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)c(F)c1 c1ccc2CN(CCc2c1)[*:1] O=C(NC[C@H](c1ccsc1)[*:1])C(=O)Nc1ccc(F)c(F)c1
O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)c(F)c1 c1cc(cs1)[*:1] O=C(NC[C@H](N1CCc2ccccc2C1)[*:1])C(=O)Nc1ccc(F)c(F)c1
O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)N[*:1]
C[C@H](CCO)SCc1cccc(NN)n1 OCC[*:1] C[C@H](SCc1cccc(n1)NN)[*:1]
C[C@H](CCO)SCc1cccc(NN)n1 C[C@H](CCO)[*:1] NNc1cccc(CS[*:1])n1
O=C(CC[C@@H]1CCCO1)Nc1cc(Cl)ccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(CC[C@@H]1CCCO1)Nc1cc(Cl)ccc1O[*:1]
O=C(CC[C@@H]1CCCO1)Nc1cc(Cl)ccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(CC[C@@H]1CCCO1)Nc1cc(Cl)ccc1[*:1]
Cc1cccc(-n2ccnc2SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c1 c1coc(c1)[*:1] Cc1cccc(c1)-n1ccnc1SCC(=O)N1N=C(C[C@@H]1c1cccs1)[*:1]
Cc1cccc(-n2ccnc2SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c1 c1csc(c1)[*:1] Cc1cccc(c1)-n1ccnc1SCC(=O)N1N=C(C[C@H]1[*:1])c1ccco1
Cc1cccc(-n2ccnc2SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nccn1[*:1])N1N=C(C[C@@H]1c1cccs1)c1ccco1
O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(C(=O)Nc2ccccc2)CC1 FC(F)(F)[*:1] O=C(Nc1ccccc1OC[*:1])C1CCN(CC1)C(=O)Nc1ccccc1
O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(CC1)C(=O)N[*:1]
O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(C(=O)Nc2ccccc2)CC1 FC(F)(F)CO[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)C(=O)Nc1ccccc1
O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(C(=O)Nc2ccccc2)CC1 FC(F)(F)C[*:1] O=C(Nc1ccccc1O[*:1])C1CCN(CC1)C(=O)Nc1ccccc1
COc1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccc(F)cc23)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN1c1ncnc2ccc(F)cc12
COc1ccc(F)cc1C(=O)N(C)C[C@@H](O)C1CC1 C1CC1[*:1] COc1ccc(F)cc1C(=O)N(C)C[C@@H](O)[*:1]
CC(C)(C)OC(=O)NNC(=O)c1cccnc1 CC(C)(C)[*:1] O=C(NNC(=O)c1cccnc1)O[*:1]
COC(=O)[C@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC(=O)[C@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C)[*:1]
COC(=O)[C@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccc(F)c(F)c1 COC(=O)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N[C@H](c2ccc(F)c(F)c2)[*:1])c1C
COC(=O)[C@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccc(F)c(F)c1 CC(=O)[*:1] COC(=O)[C@H](NC(=O)c1[nH]c(C)c(c1C)[*:1])c1ccc(F)c(F)c1
CC(C)(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 CC(C)(C)C(=O)N[*:1] O=C(C[NH+]1CCC(CC1)[*:1])Nc1ccccc1C(F)(F)F
CC(C)(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)(C)C(=O)NC1CC[NH+](CC1)CC(=O)Nc1ccccc1[*:1]
CC(C)(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 CC(C)(C)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)[*:1])Nc1ccccc1C(F)(F)F
Cc1ccc(-c2nc(C[S@](=O)[C@@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)-c1nc(cs1)C[S@](=O)[C@@H](C)C(=O)N[*:1]
Cc1ccc(-c2nc(C[S@](=O)[C@@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)[S@@](=O)Cc1csc(n1)[*:1]
C[C@H]1CN(C(=O)NCc2ncc(-c3ccccc3)o2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)NCc1ncc(o1)[*:1]
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@]23C(=O)N(C)c2ccccc23)cc1 C=CC[*:1] CN1C(=O)[C@]2(C(C(=O)c3ccc(cc3)O[*:1])=C([O-])C(=O)N2C[C@H]2CCCO2)c2ccccc21
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@]23C(=O)N(C)c2ccccc23)cc1 C=CCOc1ccc(cc1)[*:1] CN1C(=O)[C@]2(C(C(=O)[*:1])=C([O-])C(=O)N2C[C@H]2CCCO2)c2ccccc21
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@]23C(=O)N(C)c2ccccc23)cc1 C1CO[C@H](C1)[*:1] C=CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@]12C(=O)N(C)c1ccccc12
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@]23C(=O)N(C)c2ccccc23)cc1 C=CCO[*:1] CN1C(=O)[C@]2(C(C(=O)c3ccc(cc3)[*:1])=C([O-])C(=O)N2C[C@H]2CCCO2)c2ccccc21
O=C1[NH+]=c2ccccc2=C[C@H]1CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1[NH+]=c2ccccc2=C[C@H]1CN(Cc1ccccc1)S(=O)(=O)[*:1]
O=C1[NH+]=c2ccccc2=C[C@H]1CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C1[NH+]=c2ccccc2=C[C@H]1CN(S(=O)(=O)c1ccc(Cl)cc1)[*:1]
O=C1[NH+]=c2ccccc2=C[C@H]1CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C1[NH+]=c2ccccc2=C[C@H]1CN(C[*:1])S(=O)(=O)c1ccc(Cl)cc1
O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NC[C@@H](O)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccccc1[*:1]
O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NC[C@@H](O)c1ccc(cc1)[*:1])C(=O)Nc1ccccc1C(F)(F)F
COc1ccc(OC)c(C[NH2+]Cc2ccc(-c3ccccc3F)s2)c1 Fc1ccccc1[*:1] COc1ccc(OC)c(c1)C[NH2+]Cc1ccc(s1)[*:1]
CCc1nc(C)c(C(=O)[O-])c(SCc2cnc(Cl)s2)n1 O=C([O-])[*:1] CCc1nc(C)c(c(n1)SCc1cnc(Cl)s1)[*:1]
CCc1nc(C)c(C(=O)[O-])c(SCc2cnc(Cl)s2)n1 Clc1ncc(s1)[*:1] CCc1nc(C)c(C(=O)[O-])c(n1)SC[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2cccc(-n3ccc(C)n3)c2)c1 Cc1cnn(c1)[*:1] Cc1ccn(n1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2cccc(-n3ccc(C)n3)c2)c1 Cc1ccn(n1)[*:1] Cc1cnn(c1)C[C@H]1CCCN1C(=O)c1cccc(c1)[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)c2cccc(-n3ccc(C)n3)c2)c1 Cc1cnn(c1)C[*:1] Cc1ccn(n1)-c1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
Cc1ccc([C@H]2CN([C@@H]3CCOC3=O)CCO2)c(C)c1 O=C1OCC[C@H]1[*:1] Cc1ccc(c(C)c1)[C@H]1CN(CCO1)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O CC(=O)N[*:1] COc1ccc(cc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)[*:1]
CC(C)(C)[NH2+]C[C@H]1CCCN(CCSc2ccccc2)C1 CC(C)(C)[*:1] c1ccc(cc1)SCCN1CCC[C@H](C[NH2+][*:1])C1
CC(C)(C)[NH2+]C[C@H]1CCCN(CCSc2ccccc2)C1 c1ccc(cc1)S[*:1] CC(C)(C)[NH2+]C[C@H]1CCCN(CC[*:1])C1
CC(C)(C)[NH2+]C[C@H]1CCCN(CCSc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)(C)[NH2+]C[C@H]1CCCN(CCS[*:1])C1
CN(c1ccccc1)C1CCN(Cn2ncsc2=S)CC1 c1ccc(cc1)[*:1] CN(C1CCN(CC1)Cn1ncsc1=S)[*:1]
CN(c1ccccc1)C1CCN(Cn2ncsc2=S)CC1 S=c1scnn1[*:1] CN(c1ccccc1)C1CCN(CC1)C[*:1]
CN(c1ccccc1)C1CCN(Cn2ncsc2=S)CC1 S=c1scnn1C[*:1] CN(c1ccccc1)C1CCN(CC1)[*:1]
Cc1cccc(NC(=O)C(=O)NCC2CCC2)c1C(=O)N1CCCC1 C1CC(C1)[*:1] Cc1cccc(NC(=O)C(=O)NC[*:1])c1C(=O)N1CCCC1
Cc1cccc(NC(=O)C(=O)NCC2CCC2)c1C(=O)N1CCCC1 C1CC(C1)C[*:1] Cc1cccc(NC(=O)C(=O)N[*:1])c1C(=O)N1CCCC1
Cc1cccc(NC(=O)C(=O)NCC2CCC2)c1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1cccc(NC(=O)C(=O)NCC2CCC2)c1[*:1]
COc1ccccc1C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccccc1C(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1ccc(Br)cc1C[NH+]1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 COc1ccc(Br)cc1[*:1] COc1ccc(cc1OC)C(=O)N1CC[NH+](CC1)C[*:1]
Cc1[nH+]ccn1CCNC(=O)CCn1c(C(F)(F)F)cc2cccnc21 FC(F)(F)[*:1] Cc1[nH+]ccn1CCNC(=O)CCn1c(cc2cccnc21)[*:1]
Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCOCC2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@H](CNC(=O)CO[*:1])N1CCOCC1
Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCOCC2)o1 c1ccc(cc1)O[*:1] Cc1ccc(o1)[C@H](CNC(=O)C[*:1])N1CCOCC1
Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCOCC2)o1 c1ccc(cc1)OC[*:1] Cc1ccc(o1)[C@H](CNC(=O)[*:1])N1CCOCC1
Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCOCC2)o1 Cc1ccc(o1)[*:1] O=C(COc1ccccc1)NC[C@H](N1CCOCC1)[*:1]
Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@H](CNC(=O)COc1ccccc1)[*:1]
CC(C)CCC(=O)Cc1nc(C(C)(C)C)cs1 CC(C)CC[*:1] CC(C)(C)c1csc(CC(=O)[*:1])n1
CC(C)CCC(=O)Cc1nc(C(C)(C)C)cs1 CC(C)[*:1] CC(C)(C)c1csc(CC(=O)CC[*:1])n1
CC(C)CCC(=O)Cc1nc(C(C)(C)C)cs1 CC(C)C[*:1] CC(C)(C)c1csc(CC(=O)C[*:1])n1
CC(C)CCC(=O)Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CC(C)CCC(=O)Cc1nc(cs1)[*:1]
O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)C1CCCCC1 O=S(=O)(c1cccs1)[*:1] O=C(NC[C@@H](c1ccco1)[*:1])C1CCCCC1
O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)[*:1]
O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)C1CCCCC1 c1csc(c1)[*:1] O=C(NC[C@@H](c1ccco1)S(=O)(=O)[*:1])C1CCCCC1
O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)C1CCCCC1 c1coc(c1)[*:1] O=C(NC[C@@H](S(=O)(=O)c1cccs1)[*:1])C1CCCCC1
C[C@H]1CN(C(=O)COC(=O)COc2ccc(C#N)cc2)C[C@@H](C)O1 N#Cc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)COC(=O)CO[*:1]
O=C1CCCN1c1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 O=C1CCCN1[*:1] O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(cc1)[*:1]
CCCn1/c(=N/C(=O)C2=C3C(=O)N=CN=C3O[C@H]2C)[nH]c2ccccc21 CCC[*:1] C[C@@H]1OC2=NC=NC(=O)C2=C1C(=O)/N=c1\[nH]c2ccccc2n1[*:1]
Cc1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)s1 Cc1ccc(s1)[*:1] O=S(=O)(c1ccc(cc1)-c1noc(n1)[*:1])N1CCOCC1
Cc1nc2scc(C)n2c1/C=N/NC(=O)c1ccccc1O Oc1ccccc1[*:1] Cc1nc2scc(C)n2c1/C=N/NC(=O)[*:1]
O=C(NCCCOCC(F)(F)F)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NCCCOCC(F)(F)F)[*:1]
O=C(NCCCOCC(F)(F)F)C1CCCCC1 FC(F)(F)CO[*:1] O=C(NCCC[*:1])C1CCCCC1
O=C(NCCCOCC(F)(F)F)C1CCCCC1 FC(F)(F)C[*:1] O=C(NCCCO[*:1])C1CCCCC1
O=C(NCCCOCC(F)(F)F)C1CCCCC1 FC(F)(F)[*:1] O=C(NCCCOC[*:1])C1CCCCC1
Cc1cnc2c(S(=O)(=O)N3CCC(C(=O)NCC(C)C)CC3)cccc2c1 CC(C)CNC(=O)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1cnc2c(S(=O)(=O)N3CCC(C(=O)NCC(C)C)CC3)cccc2c1 CC(C)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1cnc2c(S(=O)(=O)N3CCC(C(=O)NCC(C)C)CC3)cccc2c1 CC(C)C[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccccc1COc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccccc1CO[*:1]
O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccccc1COc1ccccc1 c1ccc(cc1)OC[*:1] O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccccc1[*:1]
O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccccc1COc1ccccc1 c1ccc(cc1)O[*:1] O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccccc1C[*:1]
O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccccc1COc1ccccc1 Fc1cc(F)cc(c1)[*:1] O=C(CNC(=O)[*:1])Nc1ccccc1COc1ccccc1
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1c(C)c2ccccc2oc1=O Cc1nn(C)c(C)c1[*:1] Cc1c(C(=O)N[C@H](C)C[*:1])c(=O)oc2ccccc12
CN(C)C(=O)c1cccc(OS(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1cccc(c1)OS(=O)(=O)[*:1]
CN(C)C(=O)c1cccc(OS(=O)(=O)c2ccccc2)c1 CN(C)C(=O)[*:1] O=S(=O)(Oc1cccc(c1)[*:1])c1ccccc1
COc1cccc(C[NH+]2CCC(=O)N(Cc3cc(OC)cc(OC)c3)CC2)c1 COc1cccc(c1)[*:1] COc1cc(cc(c1)OC)CN1CC[NH+](CCC1=O)C[*:1]
COc1cccc(C[NH+]2CCC(=O)N(Cc3cc(OC)cc(OC)c3)CC2)c1 COc1cccc(c1)C[*:1] COc1cc(cc(c1)OC)CN1CC[NH+](CCC1=O)[*:1]
CNc1nc([C@@]2(C)CCCO2)nc(C(C)(C)C)c1Br CC(C)(C)[*:1] CNc1nc(nc(c1Br)[*:1])[C@@]1(C)CCCO1
C[C@@H]1CCc2c(cnc3nc(-c4ccc(Cl)cc4)nn23)C1 Clc1ccc(cc1)[*:1] C[C@@H]1CCc2c(cnc3nc(nn23)[*:1])C1
COc1ccccc1NC(=O)C1(c2ccc(F)cc2F)CCCC1 COc1ccccc1[*:1] O=C(N[*:1])C1(CCCC1)c1ccc(F)cc1F
COc1ccccc1NC(=O)C1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] COc1ccccc1NC(=O)C1(CCCC1)[*:1]
COc1ccc2[nH]cc(C3=CC[NH+](Cc4nc(CC(F)(F)F)no4)CC3)c2c1 FC(F)(F)C[*:1] COc1ccc2[nH]cc(C3=CC[NH+](CC3)Cc3nc(no3)[*:1])c2c1
COc1ccc2[nH]cc(C3=CC[NH+](Cc4nc(CC(F)(F)F)no4)CC3)c2c1 FC(F)(F)[*:1] COc1ccc2[nH]cc(C3=CC[NH+](CC3)Cc3nc(C[*:1])no3)c2c1
CCN(C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C1CC1 Cn1cc(cn1)[*:1] CCN(C(=O)N[C@H]1CCCN(C1)[*:1])C1CC1
CCN(C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C1CC1 C1CC1[*:1] CCN(C(=O)N[C@H]1CCCN(C1)c1cnn(C)c1)[*:1]
CNC(=O)c1cccc(NC[C@H]2CN(CC(C)C)CCO2)n1 CC(C)C[*:1] CNC(=O)c1cccc(n1)NC[C@H]1CN(CCO1)[*:1]
CNC(=O)c1cccc(NC[C@H]2CN(CC(C)C)CCO2)n1 CNC(=O)[*:1] CC(C)CN1CCO[C@@H](CNc2cccc(n2)[*:1])C1
CNC(=O)c1cccc(NC[C@H]2CN(CC(C)C)CCO2)n1 CC(C)[*:1] CNC(=O)c1cccc(n1)NC[C@H]1CN(CCO1)C[*:1]
COc1cc(C(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)ccn1 COc1cc(ccn1)[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1C[C@H]1CCCO1
CCNC(=O)NC(=O)CN1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CCNC(=O)NC(=O)CN1CC=C(CC1)[*:1]
Cc1ncccc1-c1nn(C)c(N)c1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1ncccc1-c1nn(C)c(N)c1[*:1]
Cc1ncccc1-c1nn(C)c(N)c1-c1cccc(Cl)c1 Cc1ncccc1[*:1] Cn1nc(c(-c2cccc(Cl)c2)c1N)[*:1]
COc1cccc(CC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c1 COc1cccc(c1)C[*:1] COc1ccc(cc1Cc1ccccc1)NC(=O)[*:1]
COc1cccc(CC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)Nc1ccc(OC)c(c1)C[*:1]
COc1cccc(CC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)CC(=O)Nc1ccc(OC)c(c1)[*:1]
COc1cccc(CC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c1 COc1cccc(c1)[*:1] COc1ccc(cc1Cc1ccccc1)NC(=O)C[*:1]
CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(Cl)c2)C1 Cc1ccc(cc1Cl)[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C(=O)C(=O)N[*:1]
Cc1csc(CS(=O)(=O)C[C@@H](O)c2ccc(Cl)cc2)n1 Cc1csc(n1)[*:1] O=S(=O)(C[C@@H](O)c1ccc(Cl)cc1)C[*:1]
CCc1noc(C)c1NC(=O)C(=O)NCC1(C)Cc2ccccc2C1 CCc1noc(C)c1[*:1] CC1(CNC(=O)C(=O)N[*:1])Cc2ccccc2C1
O=C(COc1cccc(F)c1)NC1COC1 C1OCC1[*:1] O=C(COc1cccc(F)c1)N[*:1]
C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1cccnc1 c1cncc(c1)[*:1] C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)[*:1]
C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1cccnc1 c1ccc(cc1)[*:1] C/C(C[*:1])=N\NC(=O)CNC(=O)c1cccnc1
C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1cccnc1 c1ccc(cc1)C[*:1] CC(=NNC(=O)CNC(=O)c1cccnc1)[*:1]
C[NH2+][C@@H]1CCCc2cc(OCc3nc(C)cs3)ccc21 Cc1csc(n1)[*:1] C[NH2+][C@@H]1CCCc2cc(ccc21)OC[*:1]
Cc1cccn2c(=O)c(C(=O)N3CCC3)cnc12 O=C(N1CCC1)[*:1] Cc1cccn2c(=O)c(cnc12)[*:1]
Cc1cc(NC(=O)C(=O)NC[C@H](C)c2cccs2)ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])NC(=O)C(=O)NC[C@H](C)c1cccs1
Cc1cc(NC(=O)C(=O)NC[C@H](C)c2cccs2)ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])NC(=O)C(=O)NC[C@H](C)c1cccs1
Cc1cc(NC(=O)C(=O)NC[C@H](C)c2cccs2)ccc1OC(C)C c1csc(c1)[*:1] Cc1cc(ccc1OC(C)C)NC(=O)C(=O)NC[C@H](C)[*:1]
CCC[NH2+]C1CCN([C@H]2CCS(=O)(=O)C2)CC1 CCC[*:1] O=S1(=O)CC[C@@H](C1)N1CCC(CC1)[NH2+][*:1]
C[C@H](NC(=O)Nc1ccccc1CC(N)=O)c1ccc(Cl)cc1Cl NC(=O)C[*:1] C[C@H](NC(=O)Nc1ccccc1[*:1])c1ccc(Cl)cc1Cl
C[C@H](NC(=O)Nc1ccccc1CC(N)=O)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)Nc1ccccc1CC(N)=O)[*:1]
C[C@H](NC(=O)Nc1ccccc1CC(N)=O)c1ccc(Cl)cc1Cl NC(=O)[*:1] C[C@H](NC(=O)Nc1ccccc1C[*:1])c1ccc(Cl)cc1Cl
Cc1cc(C)n(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc23)n1 Cc1cc(C)n(n1)[*:1] c1ccc2c(nnc(Nc3ccc4OCOc4c3)c2c1)[*:1]
Cc1cc(C)n(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc23)n1 c1cc2OCOc2cc1[*:1] Cc1cc(C)n(n1)-c1nnc(N[*:1])c2ccccc12
O=C(CNC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)N[*:1]
O=C(CNC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NC[*:1])Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
O=C(CNC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)NC1CC1 C1CC1[*:1] O=C(CNC(=O)Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)N[*:1]
Cc1ccc(N(C(C)C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)N(C(C)C)S(=O)(=O)c1cc(ccc1C)[*:1]
Cc1ccc(N(C(C)C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C(C)C)[*:1])S(C)(=O)=O
Cc1ccc(N(C(C)C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc1 CC(C)[*:1] Cc1ccc(cc1)N(S(=O)(=O)c1cc(ccc1C)S(C)(=O)=O)[*:1]
Cc1ccccc1CNC(=O)[C@H](C)SCc1nc(C)c(C)s1 Cc1ccccc1[*:1] Cc1nc(CS[C@@H](C)C(=O)NC[*:1])sc1C
Cc1ccccc1CNC(=O)[C@H](C)SCc1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] Cc1ccccc1CNC(=O)[C@H](C)SC[*:1]
Cc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1 Cc1cccc(c1)O[*:1] C[C@@H](C(=O)N/N=C/c1ccc2OCOc2c1)[*:1]
Cc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1 Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N/N=C/c1ccc2OCOc2c1
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc2ccccc21 COC(=O)[*:1] O=C(Cn1ccc2ccccc21)N[C@@H]1CCCC[C@H]1[*:1]
CCN(C(=O)c1cc2ccccc2c(Cl)n1)C(C)C CC(C)[*:1] CCN(C(=O)c1cc2ccccc2c(Cl)n1)[*:1]
COc1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccccc1/C=N\Nc1ccc(cc1)[*:1]
COc1cc(C[NH+]2CCc3ccccc3CC2)cc(Cl)c1OCC(N)=O NC(=O)[*:1] COc1cc(cc(Cl)c1OC[*:1])C[NH+]1CCc2ccccc2CC1
COc1cc(C[NH+]2CCc3ccccc3CC2)cc(Cl)c1OCC(N)=O NC(=O)CO[*:1] COc1cc(cc(Cl)c1[*:1])C[NH+]1CCc2ccccc2CC1
COc1cc(C[NH+]2CCc3ccccc3CC2)cc(Cl)c1OCC(N)=O NC(=O)C[*:1] COc1cc(cc(Cl)c1O[*:1])C[NH+]1CCc2ccccc2CC1
CN(Cc1nc2c(s1)CCCC2)C(=O)C(C)(C)NC(=O)c1cccs1 c1csc(c1)[*:1] CN(Cc1nc2CCCCc2s1)C(=O)C(C)(C)NC(=O)[*:1]
CN(Cc1nc2c(s1)CCCC2)C(=O)C(C)(C)NC(=O)c1cccs1 O=C(N[*:1])c1cccs1 CN(Cc1nc2CCCCc2s1)C(=O)C(C)(C)[*:1]
O=C(Nc1nccs1)c1ccccc1/N=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1nccs1)c1ccccc1/N=C/c1cccc(c1)[*:1]
O=C(Nc1nccs1)c1ccccc1/N=C/c1cccc([N+](=O)[O-])c1 c1csc(n1)[*:1] O=C(N[*:1])c1ccccc1/N=C/c1cccc(c1)[N+](=O)[O-]
O=C(Nc1nccs1)c1ccccc1/N=C/c1cccc([N+](=O)[O-])c1 O=C(Nc1nccs1)[*:1] O=[N+]([O-])c1cccc(/C=N/c2ccccc2[*:1])c1
COCOc1ccc(OC)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 COCO[*:1] COc1ccc(c(c1)C[NH+]1C[C@H]2CCCC[C@@H]2C1)[*:1]
COCOc1ccc(OC)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 COC[*:1] COc1ccc(O[*:1])c(c1)C[NH+]1C[C@H]2CCCC[C@@H]2C1
OC1(C(F)(F)F)CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)[*:1] OC1(CC[NH+](CC1)C[*:1])C(F)(F)F
OC1(C(F)(F)F)CC[NH+](CC2CCCCC2)CC1 FC(F)(F)[*:1] OC1(CC[NH+](CC1)CC1CCCCC1)[*:1]
C1=c2ccccc2=[NH+][C@@H]1[C@H]1Nn2c(CCc3ccccc3)nnc2S1 c1ccc(cc1)[*:1] C1=c2ccccc2=[NH+][C@@H]1[C@H]1Nn2c(CC[*:1])nnc2S1
C1=c2ccccc2=[NH+][C@@H]1[C@H]1Nn2c(CCc3ccccc3)nnc2S1 c1ccc(cc1)CC[*:1] C1=c2ccccc2=[NH+][C@@H]1[C@H]1Nn2c(nnc2[*:1])S1
C1=c2ccccc2=[NH+][C@@H]1[C@H]1Nn2c(CCc3ccccc3)nnc2S1 c1ccc(cc1)C[*:1] C1=c2ccccc2=[NH+][C@@H]1[C@H]1Nn2c(C[*:1])nnc2S1
CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(CC)ccc2CC)C1 CCC(=O)N[*:1] CCc1ccc(CC)c(c1)NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
O=C(NCc1nnc2ccccn12)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCc1nnc2ccccn12)Nc1ccn(C[*:1])n1
O=C(NCc1nnc2ccccn12)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(NCc1nnc2ccccn12)Nc1ccn(n1)[*:1]
CC(=O)NCC(=O)NCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 CC(=O)NCC(=O)NC[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)[*:1]
CC(=O)NCC(=O)NCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 CC(=O)N[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)CNC(=O)C[*:1]
CC(=O)NCC(=O)NCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 N#Cc1ccccc1[*:1] CC(=O)NCC(=O)NCC(=O)NCc1ccc(cc1)[*:1]
CC(=O)NCC(=O)NCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 CC(=O)NC[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)CNC(=O)[*:1]
CC(=O)NCC(=O)NCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 CC(=O)NCC(=O)N[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)C[*:1]
Cc1c(CN2C(=O)N[C@@](C)(c3ccc(F)cc3Cl)C2=O)cccc1[N+](=O)[O-] Fc1ccc(c(Cl)c1)[*:1] Cc1c(cccc1[N+](=O)[O-])CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1c(CN2C(=O)N[C@@](C)(c3ccc(F)cc3Cl)C2=O)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])CN1C(=O)N[C@](C)(C1=O)c1ccc(F)cc1Cl
CCCS(=O)(=O)[N-]c1ccc(C(=O)NCc2csc(=O)[nH]2)cc1 O=c1[nH]c(cs1)[*:1] CCCS(=O)(=O)[N-]c1ccc(cc1)C(=O)NC[*:1]
CCCS(=O)(=O)[N-]c1ccc(C(=O)NCc2csc(=O)[nH]2)cc1 O=c1[nH]c(cs1)C[*:1] CCCS(=O)(=O)[N-]c1ccc(cc1)C(=O)N[*:1]
CCCS(=O)(=O)[N-]c1ccc(C(=O)NCc2csc(=O)[nH]2)cc1 CCC[*:1] O=C(NCc1csc(=O)[nH]1)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
NC(=O)CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 NC(=O)CC[*:1] C1CCC2(CC1)C[C@@H](CCO2)[NH2+]C[*:1]
NC(=O)CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 NC(=O)[*:1] C1CCC2(CC1)C[C@@H](CCO2)[NH2+]CCC[*:1]
NC(=O)CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 NC(=O)C[*:1] C1CCC2(CC1)C[C@@H](CCO2)[NH2+]CC[*:1]
NC(=O)CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 NC(=O)CCC[*:1] C1CCC2(CC1)C[C@@H](CCO2)[NH2+][*:1]
Cc1ccc(NNC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)nn1 Clc1cccc(c1)[*:1] Cc1ccc(nn1)NNC(=O)N[C@@H]1CCN(C1=O)[*:1]
Cc1ccc(NNC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)nn1 Cc1ccc(nn1)[*:1] O=C(NN[*:1])N[C@@H]1CCN(C1=O)c1cccc(Cl)c1
Cc1cc(C)c(C(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c(C)c1 O=C([O-])[*:1] Cc1cc(C)c(C(=O)N[C@@H]2C=C[C@@H](C2)[*:1])c(C)c1
COc1ccc2nc(NC(=O)[C@@H](C)S(=O)(=O)c3ccc(F)cc3)sc2c1 Fc1ccc(cc1)[*:1] COc1ccc2nc(NC(=O)[C@@H](C)S(=O)(=O)[*:1])sc2c1
O=C(NCc1ccc(CO)c(F)c1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1ccc(CO)c(F)c1)N[*:1]
CC(C)Oc1ccccc1C(=O)Nc1cccc(C(N)=O)c1 NC(=O)[*:1] CC(C)Oc1ccccc1C(=O)Nc1cccc(c1)[*:1]
CC(C)Oc1ccccc1C(=O)Nc1cccc(C(N)=O)c1 CC(C)O[*:1] NC(=O)c1cccc(c1)NC(=O)c1ccccc1[*:1]
CC(C)Oc1ccccc1C(=O)Nc1cccc(C(N)=O)c1 CC(C)[*:1] NC(=O)c1cccc(c1)NC(=O)c1ccccc1O[*:1]
Cc1nnsc1C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 Cc1nnsc1[*:1] O=C(Nc1c2CSCc2nn1-c1ccc(F)cc1)[*:1]
Cc1nnsc1C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 Fc1ccc(cc1)[*:1] Cc1nnsc1C(=O)Nc1c2CSCc2nn1[*:1]
CCCCn1nccc1NC(=O)[C@H](C)c1cccs1 CCCC[*:1] C[C@@H](C(=O)Nc1ccnn1[*:1])c1cccs1
CCCCn1nccc1NC(=O)[C@H](C)c1cccs1 CCC[*:1] C[C@@H](C(=O)Nc1ccnn1C[*:1])c1cccs1
CCCCn1nccc1NC(=O)[C@H](C)c1cccs1 c1csc(c1)[*:1] CCCCn1nccc1NC(=O)[C@H](C)[*:1]
C=CCOc1ccccc1C[NH+]1CCC(C(=O)NN)CC1 NNC(=O)[*:1] C=CCOc1ccccc1C[NH+]1CCC(CC1)[*:1]
C=CCOc1ccccc1C[NH+]1CCC(C(=O)NN)CC1 C=CC[*:1] NNC(=O)C1CC[NH+](CC1)Cc1ccccc1O[*:1]
C=CCOc1ccccc1C[NH+]1CCC(C(=O)NN)CC1 C=CCO[*:1] NNC(=O)C1CC[NH+](CC1)Cc1ccccc1[*:1]
O=C(CCn1nnc2cc(-c3noc(-c4cccs4)n3)ccc21)N1CCCC1 c1csc(c1)[*:1] O=C(CCn1nnc2cc(ccc21)-c1noc(n1)[*:1])N1CCCC1
O=C(CCn1nnc2cc(-c3noc(-c4cccs4)n3)ccc21)N1CCCC1 O=C(C[*:1])N1CCCC1 c1csc(c1)-c1nc(no1)-c1ccc2c(c1)nnn2C[*:1]
O=C(CCn1nnc2cc(-c3noc(-c4cccs4)n3)ccc21)N1CCCC1 O=C(CC[*:1])N1CCCC1 c1csc(c1)-c1nc(no1)-c1ccc2c(c1)nnn2[*:1]
O=C(CCn1nnc2cc(-c3noc(-c4cccs4)n3)ccc21)N1CCCC1 O=C(N1CCCC1)[*:1] c1csc(c1)-c1nc(no1)-c1ccc2c(c1)nnn2CC[*:1]
COc1ccccc1Oc1ncnc(N2CC[NH+](C)CC2)c1[N+](=O)[O-] COc1ccccc1[*:1] C[NH+]1CCN(CC1)c1ncnc(O[*:1])c1[N+](=O)[O-]
COc1ccccc1Oc1ncnc(N2CC[NH+](C)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1Oc1ncnc(c1[*:1])N1CC[NH+](C)CC1
COC(=O)c1cc(C[NH2+][C@H](C)C(C)(C)C)c(C)s1 CC(C)(C)[*:1] COC(=O)c1cc(C[NH2+][C@H](C)[*:1])c(C)s1
COC(=O)c1cc(C[NH2+][C@H](C)C(C)(C)C)c(C)s1 COC(=O)[*:1] Cc1sc(cc1C[NH2+][C@H](C)C(C)(C)C)[*:1]
COc1ccc(NC(=O)[C@@H](C)NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)NC(=O)[C@@H](C)NC(=O)[*:1]
C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ncc(Cl)cc1Cl FC(F)(F)[*:1] C[C@H](OC(=O)Cc1cccc(c1)[*:1])C(=O)Nc1ncc(Cl)cc1Cl
C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ncc(Cl)cc1Cl Clc1cnc(c(Cl)c1)[*:1] C[C@H](OC(=O)Cc1cccc(c1)C(F)(F)F)C(=O)N[*:1]
Cc1cc([C@H](C)NC(=O)NCc2cn3cc(Cl)ccc3n2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)NCc1cn2cc(Cl)ccc2n1)[*:1]
Cc1cc(C)n(-c2cncc(Oc3cc(C=O)ccc3[N+](=O)[O-])n2)n1 O=[N+]([O-])[*:1] Cc1cc(C)n(n1)-c1cncc(n1)Oc1cc(C=O)ccc1[*:1]
Cc1cc(C)n(-c2cncc(Oc3cc(C=O)ccc3[N+](=O)[O-])n2)n1 Cc1cc(C)n(n1)[*:1] O=Cc1ccc(c(c1)Oc1cncc(n1)[*:1])[N+](=O)[O-]
COC[C@H](C)NC(=O)c1ccccc1SC[C@H]1CCCO1 C1CO[C@H](C1)CS[*:1] COC[C@H](C)NC(=O)c1ccccc1[*:1]
COC[C@H](C)NC(=O)c1ccccc1SC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COC[C@H](C)NC(=O)c1ccccc1SC[*:1]
COC[C@H](C)NC(=O)c1ccccc1SC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] COC[C@H](C)NC(=O)c1ccccc1S[*:1]
COC[C@H](C)NC(=O)c1ccccc1SC[C@H]1CCCO1 COC[C@H](C)[*:1] O=C(N[*:1])c1ccccc1SC[C@H]1CCCO1
COC[C@H](C)NC(=O)c1ccccc1SC[C@H]1CCCO1 COC[*:1] C[C@H](NC(=O)c1ccccc1SC[C@H]1CCCO1)[*:1]
Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 CN1CCO[C@@H](C1)[*:1] Cc1nn(cc1[C@H](C)[NH2+][C@@H](C)[*:1])C(C)(C)C
Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 CC(C)(C)[*:1] Cc1nn(cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1)[*:1]
Cc1ccn(C[C@@H](C)N2Cc3cc(Br)ccc3OCC2=O)n1 Cc1ccn(C[*:1])n1 C[C@@H](N1Cc2cc(Br)ccc2OCC1=O)[*:1]
Cc1ccn(C[C@@H](C)N2Cc3cc(Br)ccc3OCC2=O)n1 Cc1ccn(n1)[*:1] C[C@H](C[*:1])N1Cc2cc(Br)ccc2OCC1=O
COC(=O)Nc1ccc(CNC(=O)CCn2cncn2)cc1 c1ncn(C[*:1])n1 COC(=O)Nc1ccc(cc1)CNC(=O)C[*:1]
COC(=O)Nc1ccc(CNC(=O)CCn2cncn2)cc1 COC(=O)N[*:1] O=C(CCn1cncn1)NCc1ccc(cc1)[*:1]
COC(=O)Nc1ccc(CNC(=O)CCn2cncn2)cc1 c1ncn(n1)[*:1] COC(=O)Nc1ccc(cc1)CNC(=O)CC[*:1]
COC(=O)Nc1ccc(CNC(=O)CCn2cncn2)cc1 c1ncn(CC[*:1])n1 COC(=O)Nc1ccc(cc1)CNC(=O)[*:1]
Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)C[C@@H](C)C2 c1cc2OCOc2cc1[*:1] Cc1nc(nc2C[C@H](C)CC(=O)c12)N1CCN(CC1)C[*:1]
CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 O=S(=O)(N1CCOCC1)[*:1] CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(cc12)[*:1]
CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 CC(C)[*:1] O=C(NCC[*:1])c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCOCC1
CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 CC(C)CC[*:1] O=C(N[*:1])c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCOCC1
CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 CC(C)C[*:1] O=C(NC[*:1])c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCOCC1
CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 CC(C)CCNC(=O)[*:1] O=c1cc(c2cc(ccc2[nH]1)S(=O)(=O)N1CCOCC1)[*:1]
CCNC(=O)CCC(=O)NC1(c2cccc(F)c2)CCOCC1 CCNC(=O)C[*:1] O=C(C[*:1])NC1(CCOCC1)c1cccc(F)c1
CCNC(=O)CCC(=O)NC1(c2cccc(F)c2)CCOCC1 Fc1cccc(c1)[*:1] CCNC(=O)CCC(=O)NC1(CCOCC1)[*:1]
CCNC(=O)CCC(=O)NC1(c2cccc(F)c2)CCOCC1 CCNC(=O)CC[*:1] O=C(NC1(CCOCC1)c1cccc(F)c1)[*:1]
CCNC(=O)CCC(=O)NC1(c2cccc(F)c2)CCOCC1 CCNC(=O)[*:1] O=C(CC[*:1])NC1(CCOCC1)c1cccc(F)c1
C[C@@H]1OCC[C@@H]1C#CC(=O)[O-] O=C([O-])[*:1] C[C@@H]1OCC[C@@H]1C#C[*:1]
Cn1ccnc1[C@](O)(CC(=O)Nc1ccc(-c2cc[nH]n2)cc1)C(F)(F)F FC(F)(F)[*:1] Cn1ccnc1[C@](O)(CC(=O)Nc1ccc(cc1)-c1cc[nH]n1)[*:1]
Cn1ccnc1[C@](O)(CC(=O)Nc1ccc(-c2cc[nH]n2)cc1)C(F)(F)F c1cc(n[nH]1)[*:1] Cn1ccnc1[C@](O)(CC(=O)Nc1ccc(cc1)[*:1])C(F)(F)F
Cn1ccnc1[C@](O)(CC(=O)Nc1ccc(-c2cc[nH]n2)cc1)C(F)(F)F Cn1ccnc1[*:1] O=C(C[C@@](O)(C(F)(F)F)[*:1])Nc1ccc(cc1)-c1cc[nH]n1
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)[O-])cs1 N#CC(=C[*:1])C(=O)[O-] CC(=O)N(c1ccccc1)c1nc(cs1)[*:1]
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)[O-])cs1 O=C([O-])[*:1] CC(=O)N(c1ccccc1)c1nc(C=C(C#N)[*:1])cs1
CC(=O)N(c1ccccc1)c1nc(/C=C(/C#N)C(=O)[O-])cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(/C=C(/C#N)C(=O)[O-])cs1)[*:1]
Cc1ccc([N+](=O)[O-])cc1C(=O)Cc1cccc(F)c1F O=[N+]([O-])[*:1] Cc1ccc(cc1C(=O)Cc1cccc(F)c1F)[*:1]
Cc1cccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(C)c(=O)[nH]2)c1 Cc1cccc(c1)O[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)C[*:1])-c1cccs1
Cc1cccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(C)c(=O)[nH]2)c1 Cc1cccc(c1)[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)CO[*:1])-c1cccs1
Cc1cccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(C)c(=O)[nH]2)c1 Cc1nc([nH]c(=O)c1C)[*:1] Cc1cccc(c1)OCC(=O)Nc1cc(nn1[*:1])-c1cccs1
Cc1cccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(C)c(=O)[nH]2)c1 c1csc(c1)[*:1] Cc1cccc(c1)OCC(=O)Nc1cc(nn1-c1nc(C)c(C)c(=O)[nH]1)[*:1]
Cc1cccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(C)c(=O)[nH]2)c1 Cc1cccc(c1)OC[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)[*:1])-c1cccs1
CCS[C@@H]1CC[C@@H](NC(=O)Nc2cnn(-c3ncccn3)c2)C1 CCS[*:1] O=C(Nc1cnn(c1)-c1ncccn1)N[C@@H]1CC[C@H](C1)[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)Nc2cnn(-c3ncccn3)c2)C1 c1cnc(nc1)[*:1] CCS[C@@H]1CC[C@H](C1)NC(=O)Nc1cnn(c1)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C#N)cc2)NC(=S)N1 Cc1ccc(c(C)c1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1ccc(C#N)cc1
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C#N)cc2)NC(=S)N1 N#Cc1ccc(cc1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1ccc(C)cc1C)[*:1]
C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2c[nH]nc2C)C1 C=CC[*:1] Cc1n[nH]cc1C(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C1)C(=O)N[*:1]
C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2c[nH]nc2C)C1 C=CCNC(=O)[*:1] Cc1n[nH]cc1C(=O)N1CCC[C@](Cc2ccccc2-c2cccnc2)(C1)[*:1]
C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2c[nH]nc2C)C1 c1cncc(c1)[*:1] C=CCNC(=O)[C@]1(CCCN(C1)C(=O)c1c[nH]nc1C)Cc1ccccc1[*:1]
Cc1ccc(N)c(SC[C@@H](C)CO)c1 C[C@@H](CO)[*:1] Cc1ccc(N)c(c1)SC[*:1]
CC(C)(O)c1ccccc1C(C)(C)O CC(C)(O)[*:1] CC(C)(O)c1ccccc1[*:1]
Nc1nc(SCc2csc(Cc3ccccc3)n2)n[nH]1 Nc1nc(n[nH]1)[*:1] c1ccc(cc1)Cc1nc(cs1)CS[*:1]
Nc1nc(SCc2csc(Cc3ccccc3)n2)n[nH]1 c1ccc(cc1)[*:1] Nc1nc(n[nH]1)SCc1csc(C[*:1])n1
CCOc1cc(C#N)ccc1OCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 CCO[*:1] N#Cc1ccc(OCC(=O)N2C[C@@H](Oc3ccccc32)C(N)=O)c(c1)[*:1]
CCOc1cc(C#N)ccc1OCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 NC(=O)[*:1] CCOc1cc(C#N)ccc1OCC(=O)N1C[C@H](Oc2ccccc21)[*:1]
Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1[*:1]
Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1[C@H]1CCS(=O)(=O)C1 C1CO[C@@H](C1)[*:1] Cc1cc(C(=O)CSc2nnnn2C[*:1])c(C)n1[C@H]1CCS(=O)(=O)C1
Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1[C@H]1CCS(=O)(=O)C1 C1CO[C@@H](C1)C[*:1] Cc1cc(C(=O)CSc2nnnn2[*:1])c(C)n1[C@H]1CCS(=O)(=O)C1
COc1cccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 CC(C)OC(=O)[*:1] COc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
COc1cccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 CC(C)[*:1] COc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)O[*:1]
CC(=O)c1ccc(NC(=O)CSc2ncnc3c2sc2nc4c(cc23)C[NH+](C)CC4)cc1 CC(=O)c1ccc(cc1)[*:1] C[NH+]1CCc2nc3sc4c(ncnc4c3cc2C1)SCC(=O)N[*:1]
CC(=O)c1ccc(NC(=O)CSc2ncnc3c2sc2nc4c(cc23)C[NH+](C)CC4)cc1 CC(=O)[*:1] C[NH+]1CCc2nc3sc4c(ncnc4c3cc2C1)SCC(=O)Nc1ccc(cc1)[*:1]
C[C@H](Oc1ccccc1)C(=O)Nc1cc(Cl)c(Cl)cn1 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1cc(Cl)c(Cl)cn1
CC[NH2+][C@@H](Cc1nccs1)c1ccc(OC)c(OC)c1 c1csc(n1)[*:1] CC[NH2+][C@@H](C[*:1])c1ccc(OC)c(c1)OC
CC[NH2+][C@@H](Cc1nccs1)c1ccc(OC)c(OC)c1 c1csc(C[*:1])n1 CC[NH2+][C@@H](c1ccc(OC)c(c1)OC)[*:1]
CCOC[C@H]([NH3+])Cc1ccc(OC)cc1 CCOC[*:1] COc1ccc(cc1)C[C@@H]([NH3+])[*:1]
CCOC[C@H]([NH3+])Cc1ccc(OC)cc1 CCO[*:1] COc1ccc(cc1)C[C@@H]([NH3+])C[*:1]
CSc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(Cl)cc4)o3)CC2=O)cc1 Clc1ccc(cc1)[*:1] CSc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])o1
CSc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(Cl)cc4)o3)CC2=O)cc1 CSc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[C@@H]1CC(=O)N(C1)[*:1])c1ccc(Cl)cc1
NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(Br)ccc1F NS(=O)(=O)C[*:1] O=C(c1cc(Br)ccc1F)N1CCC[C@H]1[*:1]
NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(Br)ccc1F NS(=O)(=O)[*:1] O=C(c1cc(Br)ccc1F)N1CCC[C@H]1C[*:1]
C[C@H](C[NH3+])CN1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)C[*:1] C[C@H](C[NH3+])CN1CCN(CC1)C(=O)[*:1]
C[C@H](C[NH3+])CN1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)[*:1] C[C@H](C[NH3+])CN1CCN(CC1)C(=O)C[*:1]
C[C@]1(CNc2cc(F)c(Cl)cc2[N+](=O)[O-])CCCO1 O=[N+]([O-])[*:1] C[C@@]1(CCCO1)CNc1cc(F)c(Cl)cc1[*:1]
COC(=O)c1c[n+](-c2ccc([N+](=O)[O-])cc2)cc2c(O)n(-c3ccccc3)nc12 O=[N+]([O-])c1ccc(cc1)[*:1] COC(=O)c1c[n+](cc2c(O)n(nc12)-c1ccccc1)[*:1]
COC(=O)c1c[n+](-c2ccc([N+](=O)[O-])cc2)cc2c(O)n(-c3ccccc3)nc12 O=[N+]([O-])[*:1] COC(=O)c1c[n+](cc2c(O)n(nc12)-c1ccccc1)-c1ccc(cc1)[*:1]
COC(=O)c1c[n+](-c2ccc([N+](=O)[O-])cc2)cc2c(O)n(-c3ccccc3)nc12 COC(=O)[*:1] O=[N+]([O-])c1ccc(cc1)-[n+]1cc(c2nn(-c3ccccc3)c(O)c2c1)[*:1]
COC(=O)c1c[n+](-c2ccc([N+](=O)[O-])cc2)cc2c(O)n(-c3ccccc3)nc12 c1ccc(cc1)[*:1] COC(=O)c1c[n+](cc2c(O)n(nc12)[*:1])-c1ccc(cc1)[N+](=O)[O-]
O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(cc1)[*:1]
O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(cc1)O[*:1]
CCC[C@H]1C(=O)NC(=O)C[C@]1(C)CCC CCC[*:1] CCC[C@@]1(C)CC(=O)NC(=O)[C@@H]1[*:1]
CCC[C@H]1C(=O)NC(=O)C[C@]1(C)CCC CCC[*:1] CCC[C@H]1C(=O)NC(=O)C[C@@]1(C)[*:1]
O=C(N[C@H]1CCOc2ccccc21)c1occc1Br Brc1ccoc1[*:1] O=C(N[C@H]1CCOc2ccccc21)[*:1]
CCC(=O)N1CCC[C@H](C(=O)NNc2ccc(-c3ccccc3)nn2)C1 c1ccc(cc1)[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)NNc1ccc(nn1)[*:1]
O=C(c1cccs1)N1CC[NH+](CC(=O)N2CCNC2=O)CC1 c1csc(c1)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)[*:1])N1CCNC1=O
C[C@H](c1nc2ccccc2s1)N(C)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O c1cc2OCCOc2cc1[*:1] C[C@H](c1nc2ccccc2s1)N(C)CN1C(=O)N[C@](C)(C1=O)[*:1]
C[C@H](c1nc2ccccc2s1)N(C)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O c1ccc2sc(nc2c1)[*:1] C[C@H](N(C)CN1C(=O)N[C@@](C)(C1=O)c1ccc2OCCOc2c1)[*:1]
Cc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)c(C)c1 O=C([O-])[*:1] Cc1ccc(-c2cc(c3cc(C)ccc3n2)[*:1])c(C)c1
CN(CC(F)(F)F)C(=O)CNC(C)(C)c1ccc(Br)cc1 FC(F)(F)C[*:1] CN(C(=O)CNC(C)(C)c1ccc(Br)cc1)[*:1]
CN(CC(F)(F)F)C(=O)CNC(C)(C)c1ccc(Br)cc1 FC(F)(F)[*:1] CN(C[*:1])C(=O)CNC(C)(C)c1ccc(Br)cc1
CN(CC(F)(F)F)C(=O)CNC(C)(C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CN(CC(F)(F)F)C(=O)CNC(C)(C)[*:1]
CCOC(=O)c1sc(NC(=O)c2cccc(C)c2[N+](=O)[O-])nc1C CCOC(=O)[*:1] Cc1cccc(C(=O)Nc2nc(C)c(s2)[*:1])c1[N+](=O)[O-]
CCOC(=O)c1sc(NC(=O)c2cccc(C)c2[N+](=O)[O-])nc1C O=[N+]([O-])[*:1] CCOC(=O)c1sc(nc1C)NC(=O)c1cccc(C)c1[*:1]
CC(C)(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc23)C[C@@H]1O O=[N+]([O-])[*:1] CC(C)(C)[C@@H]1CCN(C[C@@H]1O)c1ccc(c2cnccc12)[*:1]
CC(C)(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc23)C[C@@H]1O CC(C)(C)[*:1] O=[N+]([O-])c1ccc(c2ccncc12)N1CC[C@H]([C@@H](O)C1)[*:1]
CCSC[C@@H](C)N(C)C(=O)[C@@H](C)NC(=O)c1cccs1 c1csc(c1)[*:1] CCSC[C@@H](C)N(C)C(=O)[C@@H](C)NC(=O)[*:1]
CCSC[C@@H](C)N(C)C(=O)[C@@H](C)NC(=O)c1cccs1 CCS[*:1] C[C@@H](NC(=O)c1cccs1)C(=O)N(C)[C@H](C)C[*:1]
CCSC[C@@H](C)N(C)C(=O)[C@@H](C)NC(=O)c1cccs1 CCSC[*:1] C[C@@H](NC(=O)c1cccs1)C(=O)N(C)[C@H](C)[*:1]
CN(CCc1ccccn1)C(=O)c1ccccc1Br c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)c1ccccc1Br
O=C(Cc1ccccc1)NCC(=O)Nc1ccccc1-n1cncn1 c1ccc(cc1)[*:1] O=C(C[*:1])NCC(=O)Nc1ccccc1-n1cncn1
O=C(Cc1ccccc1)NCC(=O)Nc1ccccc1-n1cncn1 c1ncn(n1)[*:1] O=C(Cc1ccccc1)NCC(=O)Nc1ccccc1[*:1]
O=C(Cc1ccccc1)NCC(=O)Nc1ccccc1-n1cncn1 c1ccc(cc1)C[*:1] O=C(CNC(=O)[*:1])Nc1ccccc1-n1cncn1
COc1ccc(-c2nnn(CC(=O)NC(=O)NC3CCCCC3)n2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)-c1nnn(CC(=O)NC(=O)N[*:1])n1
Cc1ccc(-c2cc3c(nc(C)n3[C@@H]3CCS(=O)(=O)C3)c(C(=O)Nc3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cc2c(nc(C)n2[C@@H]2CCS(=O)(=O)C2)c(n1)C(=O)N[*:1]
Cc1ccc(-c2cc3c(nc(C)n3[C@@H]3CCS(=O)(=O)C3)c(C(=O)Nc3ccc(F)cc3)n2)cc1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccc(cc1)-c1cc2c(nc(C)n2[C@@H]2CCS(=O)(=O)C2)c(n1)[*:1]
Cc1ccc(-c2cc3c(nc(C)n3[C@@H]3CCS(=O)(=O)C3)c(C(=O)Nc3ccc(F)cc3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1nc2c(nc(cc2n1[C@@H]1CCS(=O)(=O)C1)[*:1])C(=O)Nc1ccc(F)cc1
C[C@@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)C(=O)Nc1ccc(F)c(c1)[*:1]
C[C@@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 c1csc(c1)[*:1] C[C@@H](Sc1nc2scc(c2c(=O)n1C)[*:1])C(=O)Nc1ccc(F)c(c1)[N+](=O)[O-]
C[C@@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])c1cc(ccc1F)[*:1] C[C@@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)C(=O)N[*:1]
Cc1ccc(-c2nnco2)cc1NC(=O)/C=C/c1ccc(I)o1 Ic1ccc(o1)[*:1] Cc1ccc(cc1NC(=O)C=C[*:1])-c1nnco1
Cc1ccc(-c2nnco2)cc1NC(=O)/C=C/c1ccc(I)o1 c1nnc(o1)[*:1] Cc1ccc(cc1NC(=O)/C=C/c1ccc(I)o1)[*:1]
CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1cccc(Cl)c1 CN(C)[*:1] O=S(=O)(NC[C@H](c1cccc(Cl)c1)[*:1])c1ccc2OCOc2c1
CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN(C)[C@H](CNS(=O)(=O)c1ccc2OCOc2c1)[*:1]
CCOc1cc(F)ccc1NC(=O)c1ccccc1OCC CCO[*:1] CCOc1ccccc1C(=O)Nc1ccc(F)cc1[*:1]
CCOc1cc(F)ccc1NC(=O)c1ccccc1OCC CCO[*:1] CCOc1cc(F)ccc1NC(=O)c1ccccc1[*:1]
CC(C)[NH2+]CC(=O)N(C)Cc1cccc(F)c1 CC(C)[*:1] CN(Cc1cccc(F)c1)C(=O)C[NH2+][*:1]
Cc1cc2ncn(CC3CCN(C(=O)c4c(C)nc5ccccn45)CC3)c2cc1C Cc1nc2ccccn2c1[*:1] Cc1cc2ncn(CC3CCN(CC3)C(=O)[*:1])c2cc1C
CC[C@@](C)([NH2+]CC(=O)N[C@@H](C)C(C)C)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)([NH2+]CC(=O)N[C@@H](C)C(C)C)[*:1]
CC[C@@](C)([NH2+]CC(=O)N[C@@H](C)C(C)C)C(=O)[O-] CC(C)[C@H](C)[*:1] CC[C@@](C)([NH2+]CC(=O)N[*:1])C(=O)[O-]
CC[C@@](C)([NH2+]CC(=O)N[C@@H](C)C(C)C)C(=O)[O-] CC(C)[*:1] CC[C@@](C)([NH2+]CC(=O)N[C@@H](C)[*:1])C(=O)[O-]
C[NH+](C/C([O-])=N/c1nnc(C(C)(C)C)s1)Cc1ccccc1N1CCOCC1 CC(C)(C)c1nnc(s1)[*:1] C[NH+](CC([O-])=N[*:1])Cc1ccccc1N1CCOCC1
C[NH+](C/C([O-])=N/c1nnc(C(C)(C)C)s1)Cc1ccccc1N1CCOCC1 CC(C)(C)[*:1] C[NH+](C/C([O-])=N/c1nnc(s1)[*:1])Cc1ccccc1N1CCOCC1
C[NH+](C/C([O-])=N/c1nnc(C(C)(C)C)s1)Cc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] C[NH+](C/C([O-])=N/c1nnc(s1)C(C)(C)C)Cc1ccccc1[*:1]
Cc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3C)CC2)s1 Cc1ccc(s1)[*:1] Cc1ncccc1C[NH+]1CCC(CC1)NC(=O)[*:1]
Cc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3C)CC2)s1 Cc1ncccc1[*:1] Cc1ccc(s1)C(=O)NC1CC[NH+](CC1)C[*:1]
O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCCc1cccs1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCCc1cccs1)[C@@H]1CCCc2sc(nc21)NC(=O)[*:1]
O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCCc1cccs1)c1ccc(Cl)cc1 c1csc(c1)[*:1] O=C(Nc1nc2c(CCC[C@H]2C(=O)NCC[*:1])s1)c1ccc(Cl)cc1
O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCCc1cccs1)c1ccc(Cl)cc1 c1csc(c1)C[*:1] O=C(Nc1nc2c(CCC[C@H]2C(=O)NC[*:1])s1)c1ccc(Cl)cc1
O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCCc1cccs1)c1ccc(Cl)cc1 c1csc(c1)CC[*:1] O=C(Nc1nc2c(CCC[C@H]2C(=O)N[*:1])s1)c1ccc(Cl)cc1
CCc1ccc(C(=O)NNC(=S)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] CCc1ccc(cc1)C(=O)NNC(=S)N[*:1]
C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](OC=O)[C@@]2(C)COC=O)[C@@]12CC[C@]1(COC(=O)C1)O2 O=CO[*:1] C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](OC=O)[C@@]2(C)C[*:1])[C@@]12CC[C@]1(COC(=O)C1)O2
C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](OC=O)[C@@]2(C)COC=O)[C@@]12CC[C@]1(COC(=O)C1)O2 O=CO[*:1] C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H]([C@@]2(C)COC=O)[*:1])[C@@]12CC[C@]1(COC(=O)C1)O2
C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](OC=O)[C@@]2(C)COC=O)[C@@]12CC[C@]1(COC(=O)C1)O2 O=COC[*:1] C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](OC=O)[C@]2(C)[*:1])[C@@]12CC[C@]1(COC(=O)C1)O2
Cc1nn(C)cc1[C@H](C)NC(=O)NCC(=O)NCc1ccco1 c1coc(c1)C[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)NCC(=O)N[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)NCC(=O)NCc1ccco1 c1coc(c1)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)NCC(=O)NC[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)NCC(=O)NCc1ccco1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)NCC(=O)NCc1ccco1)[*:1]
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(C#N)cn1C CNC(=O)[*:1] Cn1cc(C#N)cc1C(=O)NCC(=O)N1CCC[C@H]1[*:1]
CCOc1ncccc1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] CCOc1ncccc1C[NH2+][C@@H]1CCN(C1)[*:1]
CCOc1ncccc1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 CCO[*:1] FC(F)(F)CN1CC[C@H](C1)[NH2+]Cc1cccnc1[*:1]
CCOc1ncccc1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] CCOc1ncccc1C[NH2+][C@@H]1CCN(C1)C[*:1]
CSc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(Cl)cccc3s2)cc1 CSc1ccc(cc1)[*:1] O=C(N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1)[*:1]
CSc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(Cl)cccc3s2)cc1 C1CN(CCO1)CC[*:1] CSc1ccc(cc1)C(=O)N(C[*:1])c1nc2c(Cl)cccc2s1
CSc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(Cl)cccc3s2)cc1 Clc1cccc2sc(nc12)[*:1] CSc1ccc(cc1)C(=O)N(CCCN1CCOCC1)[*:1]
CSc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(Cl)cccc3s2)cc1 C1CN(CCO1)C[*:1] CSc1ccc(cc1)C(=O)N(CC[*:1])c1nc2c(Cl)cccc2s1
CSc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(Cl)cccc3s2)cc1 C(CN1CCOCC1)C[*:1] CSc1ccc(cc1)C(=O)N(c1nc2c(Cl)cccc2s1)[*:1]
CSc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(Cl)cccc3s2)cc1 C1CN(CCO1)[*:1] CSc1ccc(cc1)C(=O)N(CCC[*:1])c1nc2c(Cl)cccc2s1
CN(C1CC1)S(=O)(=O)c1ccc(C[NH3+])s1 C1CC1[*:1] CN(S(=O)(=O)c1ccc(C[NH3+])s1)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)NCCNC(=O)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](CO)[C@@H](C)NC(=O)NCCNC(=O)[*:1]
C[C@@H](CO)[C@@H](C)NC(=O)NCCNC(=O)c1cccnc1 C[C@@H](CO)[*:1] C[C@@H](NC(=O)NCCNC(=O)c1cccnc1)[*:1]
COc1cccc2cc(C(=O)OCC(N)=O)oc12 NC(=O)C[*:1] COc1cccc2cc(oc12)C(=O)O[*:1]
COc1cccc2cc(C(=O)OCC(N)=O)oc12 NC(=O)[*:1] COc1cccc2cc(oc12)C(=O)OC[*:1]
O=C([O-])[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H](C(=O)[O-])[NH2+]1 O=C([O-])[*:1] O=C([O-])[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]([NH2+]1)[*:1]
O=C([O-])[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H](C(=O)[O-])[NH2+]1 O=C([O-])[*:1] O=C([O-])[C@@H]1[NH2+][C@@H](CC2=c3ccccc3=[NH+][C@H]21)[*:1]
CCOC[C@@H]1CCN(C(=O)NCC(C)(C)C[C@H](C)O)C1 CCO[*:1] C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)NCC(C)(C)C[C@H](C)O)C1 C[C@H](O)C[*:1] CCOC[C@@H]1CCN(C1)C(=O)NCC(C)(C)[*:1]
CCOC[C@@H]1CCN(C(=O)NCC(C)(C)C[C@H](C)O)C1 C[C@H](O)[*:1] CCOC[C@@H]1CCN(C1)C(=O)NCC(C)(C)C[*:1]
CCOC[C@@H]1CCN(C(=O)NCC(C)(C)C[C@H](C)O)C1 CCOC[*:1] C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@H](C1)[*:1]
Cc1ccc(NC(=O)Cn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)NC(=O)Cn1c(C[*:1])nc2ccccc21
Cc1ccc(NC(=O)Cn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1c(CNC(=O)c2ccco2)nc2ccccc21)N[*:1]
Cc1ccc(NC(=O)Cn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 O=C(NC[*:1])c1ccco1 Cc1ccc(cc1)NC(=O)Cn1c(nc2ccccc21)[*:1]
Cc1ccc(NC(=O)Cn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)NC(=O)Cn1c(CNC(=O)[*:1])nc2ccccc21
CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O CC(C)(C)OC(=O)[*:1] CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H]([C@@H]1c1ccc(F)cc1)[*:1]
CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O CC(C)(C)[*:1] CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@H](C(=O)C[C@@]1(C)O)C(=O)O[*:1]
CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O CC(C)(C)OC(=O)[*:1] CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@H](C(=O)C[C@@]1(C)O)[*:1]
CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O Fc1ccc(cc1)[*:1] CC(C)(C)OC(=O)[C@H]1[C@H]([C@H](C(=O)C[C@@]1(C)O)C(=O)OC(C)(C)C)[*:1]
CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O CC(C)(C)[*:1] CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)O[*:1])[C@@H]1c1ccc(F)cc1
NC(=O)c1ccsc1NC(=O)CN1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] NC(=O)c1ccsc1NC(=O)CN1CCN(CC1)[*:1]
NC(=O)c1ccsc1NC(=O)CN1CCN(c2ccccc2F)CC1 NC(=O)c1ccsc1[*:1] O=C(CN1CCN(CC1)c1ccccc1F)N[*:1]
NC(=O)c1ccsc1NC(=O)CN1CCN(c2ccccc2F)CC1 NC(=O)[*:1] O=C(CN1CCN(CC1)c1ccccc1F)Nc1sccc1[*:1]
COC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2C(C)=O)CC1 CC(=O)[*:1] COC[C@@H](C)[NH+]1CCN(CC1)CC(=O)Nc1ccccc1[*:1]
COC[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2C(C)=O)CC1 COC[*:1] CC(=O)c1ccccc1NC(=O)CN1CC[NH+](CC1)[C@H](C)[*:1]
O=C(c1cc(-c2ccco2)[nH]n1)N1CCC(COc2ccccn2)CC1 c1ccc(nc1)OC[*:1] O=C(c1cc([nH]n1)-c1ccco1)N1CCC(CC1)[*:1]
O=C(c1cc(-c2ccco2)[nH]n1)N1CCC(COc2ccccn2)CC1 c1coc(c1)[*:1] O=C(c1cc([nH]n1)[*:1])N1CCC(CC1)COc1ccccn1
O=C(c1cc(-c2ccco2)[nH]n1)N1CCC(COc2ccccn2)CC1 c1ccc(nc1)O[*:1] O=C(c1cc([nH]n1)-c1ccco1)N1CCC(CC1)C[*:1]
O=C(c1cc(-c2ccco2)[nH]n1)N1CCC(COc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(c1cc([nH]n1)-c1ccco1)N1CCC(CC1)CO[*:1]
CCc1ccc([C@@H](CO)NC(=O)CNC(=O)Nc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)CNC(=O)N[*:1]
CCc1ccc([C@@H](CO)NC(=O)CNC(=O)Nc2cccc(C)c2)cc1 CCc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)NCC(=O)N[C@H](CO)[*:1]
CCCC[NH+]1CCC(NC(=O)c2c[nH]c3nccc(Cl)c23)CC1 CCC[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1c[nH]c2nccc(Cl)c12
CCCC[NH+]1CCC(NC(=O)c2c[nH]c3nccc(Cl)c23)CC1 CCCC[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1c[nH]c2nccc(Cl)c12
Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1 Cc1ccc(cc1)[*:1] O=C(NNC(=O)c1cc2ccccc2cc1O)N[*:1]
CC(=O)N[C@H](C(=O)NCc1nc2cc(F)ccc2n1C)C1CCCC1 CC(=O)N[*:1] Cn1c(CNC(=O)[C@H](C2CCCC2)[*:1])nc2cc(F)ccc21
CC(=O)N[C@H](C(=O)NCc1nc2cc(F)ccc2n1C)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@H](C(=O)NCc1nc2cc(F)ccc2n1C)[*:1]
O=C1CCC(CCC(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)=NN1 c1cc2OCOc2cc1[*:1] O=C1CCC(CCC(=O)N2CC[C@@H]([C@H](O)C2)[*:1])=NN1
CN(Cc1nccn1C(F)F)Cn1nc(-c2ccc(F)cc2)oc1=O Fc1ccc(cc1)[*:1] CN(Cc1nccn1C(F)F)Cn1nc(oc1=O)[*:1]
CN(Cc1nccn1C(F)F)Cn1nc(-c2ccc(F)cc2)oc1=O FC(F)n1ccnc1[*:1] CN(Cn1nc(oc1=O)-c1ccc(F)cc1)C[*:1]
CN(Cc1nccn1C(F)F)Cn1nc(-c2ccc(F)cc2)oc1=O FC(F)[*:1] CN(Cc1nccn1[*:1])Cn1nc(oc1=O)-c1ccc(F)cc1
COC(=O)[C@@H](CNC(=O)c1cc(C)oc1C)Cc1ccc(O)cc1 Cc1cc(c(C)o1)[*:1] COC(=O)[C@@H](CNC(=O)[*:1])Cc1ccc(O)cc1
COC(=O)[C@@H](CNC(=O)c1cc(C)oc1C)Cc1ccc(O)cc1 Oc1ccc(cc1)[*:1] COC(=O)[C@@H](CNC(=O)c1cc(C)oc1C)C[*:1]
COC(=O)[C@@H](CNC(=O)c1cc(C)oc1C)Cc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] COC(=O)[C@@H](CNC(=O)c1cc(C)oc1C)[*:1]
COC(=O)[C@@H](CNC(=O)c1cc(C)oc1C)Cc1ccc(O)cc1 COC(=O)[*:1] Cc1cc(C(=O)NC[C@@H](Cc2ccc(O)cc2)[*:1])c(C)o1
Cn1c(=O)c2c(ncn2Cc2nnc(N)s2)n(C)c1=O Nc1nnc(s1)[*:1] Cn1c(=O)c2c(ncn2C[*:1])n(C)c1=O
CC1CCN(C(=O)Cn2nc3c4ccccc4nc(C4CC4)n3c2=O)CC1 CC1CCN(CC1)C(=O)[*:1] O=c1n(C[*:1])nc2c3ccccc3nc(C3CC3)n12
CC1CCN(C(=O)Cn2nc3c4ccccc4nc(C4CC4)n3c2=O)CC1 C1CC1[*:1] CC1CCN(CC1)C(=O)Cn1nc2c3ccccc3nc(n2c1=O)[*:1]
CN1CCC[C@@]2(CCN(C(=O)CCCc3ccc(F)cc3)C2)C1=O Fc1ccc(cc1)[*:1] CN1CCC[C@@]2(CCN(C2)C(=O)CCC[*:1])C1=O
CN1CCC[C@@]2(CCN(C(=O)CCCc3ccc(F)cc3)C2)C1=O Fc1ccc(cc1)C[*:1] CN1CCC[C@@]2(CCN(C2)C(=O)CC[*:1])C1=O
Cc1ccc(CC(=O)N(C)Cc2ccccc2N2CCCC2)cn1 C1CCN(C1)[*:1] Cc1ccc(cn1)CC(=O)N(C)Cc1ccccc1[*:1]
Cc1ccc(CC(=O)N(C)Cc2ccccc2N2CCCC2)cn1 Cc1ccc(cn1)C[*:1] CN(Cc1ccccc1N1CCCC1)C(=O)[*:1]
Cc1ccc(CC(=O)N(C)Cc2ccccc2N2CCCC2)cn1 Cc1ccc(cn1)[*:1] CN(Cc1ccccc1N1CCCC1)C(=O)C[*:1]
CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1[NH3+] CC(C)(C)[*:1] [NH3+][C@@H]1[C@H](CCCN1C(=O)OCc1ccccc1)C(=O)O[*:1]
CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1[NH3+] c1ccc(cc1)[*:1] CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)OC[*:1])[C@@H]1[NH3+]
CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1[NH3+] c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)O[*:1])[C@@H]1[NH3+]
CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1[NH3+] CC(C)(C)OC(=O)[*:1] [NH3+][C@@H]1[C@H](CCCN1C(=O)OCc1ccccc1)[*:1]
C/C(=C/C(=O)Nc1cnc2c(c1)c(C)nn2C)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(=CC(=O)Nc1cnc2c(c1)c(C)nn2C)[*:1]
CC(C)(C)n1cc(C(=O)NNC(=O)c2cccc(Br)c2)cn1 CC(C)(C)[*:1] O=C(NNC(=O)c1cnn(c1)[*:1])c1cccc(Br)c1
CC(C)(C)n1cc(C(=O)NNC(=O)c2cccc(Br)c2)cn1 Brc1cccc(c1)[*:1] CC(C)(C)n1cc(cn1)C(=O)NNC(=O)[*:1]
COc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc4c(c3)CCCC4)c3ccccc32)cc1OC COc1ccc(cc1OC)[*:1] O=C(C[C@]1(O)C(=O)N(C[*:1])c2ccccc21)c1ccc2CCCCc2c1
COc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc4c(c3)CCCC4)c3ccccc32)cc1OC c1cc2CCCCc2cc1[*:1] COc1ccc(cc1OC)CN1C(=O)[C@@](O)(CC(=O)[*:1])c2ccccc21
COc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc4c(c3)CCCC4)c3ccccc32)cc1OC COc1ccc(cc1OC)C[*:1] O=C(C[C@]1(O)C(=O)N(c2ccccc21)[*:1])c1ccc2CCCCc2c1
C=CCN1C(=O)S/C(=C\c2ccc(OC(C)C)cc2)C1=O CC(C)O[*:1] C=CCN1C(=O)S/C(=C\c2ccc(cc2)[*:1])C1=O
C=CCN1C(=O)S/C(=C\c2ccc(OC(C)C)cc2)C1=O CC(C)[*:1] C=CCN1C(=O)S/C(=C\c2ccc(cc2)O[*:1])C1=O
C=CCN1C(=O)S/C(=C\c2ccc(OC(C)C)cc2)C1=O C=CC[*:1] CC(C)Oc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1
COc1ccc(NC(=O)CC[C@@H](C)O)c(C(F)(F)F)c1 C[C@@H](O)C[*:1] COc1ccc(NC(=O)C[*:1])c(c1)C(F)(F)F
COc1ccc(NC(=O)CC[C@@H](C)O)c(C(F)(F)F)c1 C[C@@H](O)[*:1] COc1ccc(NC(=O)CC[*:1])c(c1)C(F)(F)F
COc1ccc(NC(=O)CC[C@@H](C)O)c(C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(NC(=O)CC[C@@H](C)O)c(c1)[*:1]
COc1ccc(NC(=O)CC[C@@H](C)O)c(C(F)(F)F)c1 C[C@@H](O)CC[*:1] COc1ccc(NC(=O)[*:1])c(c1)C(F)(F)F
O=C(CCCn1ccnn1)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CCCn1ccnn1)N1CCCC[C@H]1[*:1]
O=C(CCCn1ccnn1)N1CCCC[C@@H]1CN1CCOCC1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CCCC[C@@H]1CN1CCOCC1
O=C(CCCn1ccnn1)N1CCCC[C@@H]1CN1CCOCC1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCCC[C@@H]1CN1CCOCC1
O=C(CCCn1ccnn1)N1CCCC[C@@H]1CN1CCOCC1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCCC[C@@H]1CN1CCOCC1
O=C(CCCn1ccnn1)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(CCCn1ccnn1)N1CCCC[C@@H]1C[*:1]
COc1cc(OC)cc(N2CC[C@H](Nc3nc(C)ns3)C2)c1 Cc1nsc(n1)[*:1] COc1cc(cc(c1)N1CC[C@@H](C1)N[*:1])OC
COc1cc(OC)cc(N2CC[C@H](Nc3nc(C)ns3)C2)c1 Cc1nsc(n1)N[*:1] COc1cc(cc(c1)N1CC[C@H](C1)[*:1])OC
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCC1(c2cccc(F)c2)CC1 NC(=O)[*:1] O=C(NCC1(CC1)c1cccc(F)c1)N[C@H]1CCC[C@H]1[*:1]
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCC1(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] NC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCC1(CC1)[*:1]
COc1ccc(CCC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])Nc1nc(cs1)C[NH+]1CCCCCC1
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCC(C)C CC(C)C[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCC(C)C CC(C)CC[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCC(C)C CC(C)[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC[*:1]
CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)[O-] CC(C)(C)[*:1] O=C([O-])C[C@H]1CSCCN1C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)[O-] O=C([O-])C[*:1] CC(C)(C)OC(=O)N1CCSC[C@H]1[*:1]
CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCSC[C@@H]1C[*:1]
C/C=C/CS(=O)(=O)Cc1nc(-c2cccc(Cl)c2)no1 CC=C[*:1] O=S(=O)(Cc1nc(no1)-c1cccc(Cl)c1)C[*:1]
C/C=C/CS(=O)(=O)Cc1nc(-c2cccc(Cl)c2)no1 C/C=C/C[*:1] O=S(=O)(Cc1nc(no1)-c1cccc(Cl)c1)[*:1]
C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H](C)[*:1]
C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H](C)C[*:1]
Cc1cccc(C)c1OCCNC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)S[*:1] Cc1cccc(C)c1OCCNC(=O)C[*:1]
Cc1cccc(C)c1OCCNC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)[*:1] Cc1cccc(C)c1OCCNC(=O)CS[*:1]
Cc1cccc(C)c1OCCNC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)SC[*:1] Cc1cccc(C)c1OCCNC(=O)[*:1]
Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 c1ccc(cc1)[*:1] Cc1nc(ccc1C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CCCCOc1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1 CCCCO[*:1] c1cn(cn1)C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CCCCOc1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1 CCC[*:1] c1cn(cn1)C1CC[NH+](CC1)Cc1ccc(cc1)OC[*:1]
CCCCOc1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1 c1cn(cn1)[*:1] CCCCOc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CCCCOc1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1 CCCC[*:1] c1cn(cn1)C1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
CCN(Cc1ccccc1C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 Cc1ccccc1[*:1] CCN(C[*:1])C(=O)N[C@@H](C)c1ccc(cc1)-n1cncn1
CCN(Cc1ccccc1C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 Cc1ccccc1C[*:1] CCN(C(=O)N[C@@H](C)c1ccc(cc1)-n1cncn1)[*:1]
CCN(Cc1ccccc1C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CCN(Cc1ccccc1C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(-c2ccc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)o2)cc1 CCOC(=O)[*:1] NS(=O)(=O)c1ccc2[nH]c(nc2c1)-c1ccc(o1)-c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(-c2ccc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)o2)cc1 NS(=O)(=O)[*:1] CCOC(=O)c1ccc(cc1)-c1ccc(o1)-c1nc2cc(ccc2[nH]1)[*:1]
COCC[NH2+]CC(=O)N[C@@H](C)c1cnn(C)c1C COC[*:1] Cc1c(cnn1C)[C@H](C)NC(=O)C[NH2+]C[*:1]
COCC[NH2+]CC(=O)N[C@@H](C)c1cnn(C)c1C COCC[*:1] Cc1c(cnn1C)[C@H](C)NC(=O)C[NH2+][*:1]
Fc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 Clc1ccc(cc1)[*:1] Fc1ccccc1N1CC[NH+](CC1)[C@H]1CCCN(C1)C[*:1]
Fc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 Clc1ccc(cc1)C[*:1] Fc1ccccc1N1CC[NH+](CC1)[C@H]1CCCN(C1)[*:1]
Fc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 Fc1ccccc1[*:1] Clc1ccc(cc1)CN1CCC[C@@H](C1)[NH+]1CCN(CC1)[*:1]
O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)N[*:1]
O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1nc2ccccc2s1 c1csc(c1)[*:1] O=C(CCN1C(=O)SC(=C[*:1])C1=O)Nc1nc2ccccc2s1
CN1N[C@H](C(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])c2ccccc2C1=O O=C([O-])[*:1] CN1N[C@H](C(=O)N[C@@H](CC2C[NH+]=c3ccccc3=2)[*:1])c2ccccc2C1=O
CC(C)c1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)nn2cnnc12 CC(C)[*:1] O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc(c2nncn2n1)[*:1]
CC(C)c1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)nn2cnnc12 C1CN(CCO1)[*:1] CC(C)c1cc(nn2cnnc12)C(=O)Nc1cccc(Cl)c1[*:1]
CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H](Sc2nnc(C)o2)C1 Cc1nnc(o1)[*:1] CCC[NH2+][C@@]1(CCC[C@@H](C1)S[*:1])C(=O)[O-]
CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H](Sc2nnc(C)o2)C1 CCC[*:1] Cc1nnc(o1)S[C@H]1CCC[C@](C1)([NH2+][*:1])C(=O)[O-]
CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H](Sc2nnc(C)o2)C1 O=C([O-])[*:1] CCC[NH2+][C@@]1(CCC[C@@H](C1)Sc1nnc(C)o1)[*:1]
Cc1nnsc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 Cc1nnsc1[*:1] C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C1)C(=O)[*:1]
COc1cc(-c2noc(Cc3c[nH]c4cc(C)ccc34)n2)ccn1 COc1cc(ccn1)[*:1] Cc1ccc2c(c[nH]c2c1)Cc1nc(no1)[*:1]
O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(-c2nc3ncccc3o2)c(O)c1 c1cnc2nc(oc2c1)[*:1] O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(c(O)c1)[*:1]
O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(-c2nc3ncccc3o2)c(O)c1 C(=C[*:1])c1ccccc1 O=C(NC(=S)Nc1ccc(-c2nc3ncccc3o2)c(O)c1)[*:1]
O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(-c2nc3ncccc3o2)c(O)c1 c1ccc(cc1)[*:1] O=C(C=C[*:1])NC(=S)Nc1ccc(-c2nc3ncccc3o2)c(O)c1
O=C1CN(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] O=C1CN(C(=O)OCc2ccccc2)[C@@H](CO1)[*:1]
O=C1CN(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)CO1 c1ccc(cc1)C[*:1] O=C1CN(C(=O)O[*:1])[C@H](CO1)c1ccccc1
O=C1CN(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] O=C1CN(C(=O)OC[*:1])[C@H](CO1)c1ccccc1
O=C(c1ccon1)N1CCCC2(CCCCCC2)C1 c1cc(no1)[*:1] O=C(N1CCCC2(CCCCCC2)C1)[*:1]
O=C(Nc1cccc(C2SCCS2)c1)N1CCCC[C@H]1CO C1CSC(S1)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCCC[C@H]1CO
CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1OC)[C@@H]1C(=O)CC(C)(C)CC1=N2 CCS[*:1] COc1ccc(c(c1)OC)[C@H]1[C@@H]2C(=O)CC(C)(C)CC2=Nc2nc(nn21)[*:1]
CC/[NH+]=C(/NC[C@H]1CCS(=O)(=O)C1)N[C@@H]1C[C@@H]1C C[C@H]1C[C@H]1[*:1] CC/[NH+]=C(/NC[C@H]1CCS(=O)(=O)C1)N[*:1]
C[C@@H]1CN(C2CCN(C(=O)NCCC3=CCCCC3)CC2)CCO1 C[C@@H]1CN(CCO1)[*:1] O=C(NCCC1=CCCCC1)N1CCC(CC1)[*:1]
Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(nnn1[*:1])C(=O)Nc1ccc(F)cc1
Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc(Cl)c1 Fc1ccc(cc1)[*:1] Cc1c(nnn1-c1cccc(Cl)c1)C(=O)N[*:1]
Cc1cccc(NC(=O)Nc2cc(C)nn2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)Nc1cc(C)nn1[*:1]
Cc1cccc(NC(=O)Nc2cc(C)nn2Cc2ccccc2)c1 Cc1cccc(c1)[*:1] Cc1cc(NC(=O)N[*:1])n(Cc2ccccc2)n1
Cc1cccc(NC(=O)Nc2cc(C)nn2Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)Nc1cc(C)nn1C[*:1]
O=[N+]([O-])c1ccc(F)c(NCc2ncc(-c3cccs3)o2)c1 c1csc(c1)[*:1] O=[N+]([O-])c1ccc(F)c(c1)NCc1ncc(o1)[*:1]
O=[N+]([O-])c1ccc(F)c(NCc2ncc(-c3cccs3)o2)c1 O=[N+]([O-])[*:1] Fc1ccc(cc1NCc1ncc(o1)-c1cccs1)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)N4CCCCC4)C3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc(on1)[*:1])N1CCC[C@@H](C1)C(=O)N1CCCCC1
Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)N4CCCCC4)C3)no2)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)-c1cc(no1)C(=O)N1CCC[C@H](C1)[*:1]
COc1ccc(C2(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CCOCC2)cc1 O=C(N1CCCC1)[*:1] COc1ccc(cc1)C1(CCOCC1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C2(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(cc1)NC(=O)C1(CCOCC1)[*:1])N1CCCC1
CCc1nn(C)cc1CNC(=O)NCc1cc(C)oc1C Cc1cc(c(C)o1)[*:1] CCc1nn(C)cc1CNC(=O)NC[*:1]
O=C(CS[C@H]1N=NC(=O)[C@@H]2C[C@@H](c3cccs3)NN21)Nc1ccc(F)cc1F c1csc(c1)[*:1] O=C(CS[C@H]1N=NC(=O)[C@@H]2C[C@@H](NN21)[*:1])Nc1ccc(F)cc1F
O=C(CS[C@H]1N=NC(=O)[C@@H]2C[C@@H](c3cccs3)NN21)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CS[C@H]1N=NC(=O)[C@@H]2C[C@H](NN21)c1cccs1)N[*:1]
CCCCCC[C@@H](O)[C@@]1(C[NH3+])CCc2ccccc2C1 CCCCC[*:1] [NH3+]C[C@@]1(CCc2ccccc2C1)[C@H](O)C[*:1]
CCCCCC[C@@H](O)[C@@]1(C[NH3+])CCc2ccccc2C1 CCCCCC[*:1] [NH3+]C[C@@]1(CCc2ccccc2C1)[C@H](O)[*:1]
CCCCCC[C@@H](O)[C@@]1(C[NH3+])CCc2ccccc2C1 CCCC[*:1] [NH3+]C[C@@]1(CCc2ccccc2C1)[C@H](O)CC[*:1]
CCCCCC[C@@H](O)[C@@]1(C[NH3+])CCc2ccccc2C1 CCC[*:1] [NH3+]C[C@@]1(CCc2ccccc2C1)[C@H](O)CCC[*:1]
CN1CCN(S(=O)(=O)c2ccc(Cl)cc2F)[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN([C@H](C1)[*:1])S(=O)(=O)c1ccc(Cl)cc1F
CN1CCN(S(=O)(=O)c2ccc(Cl)cc2F)[C@H](c2ccccc2)C1 Fc1cc(Cl)ccc1[*:1] CN1CCN([C@@H](C1)c1ccccc1)S(=O)(=O)[*:1]
Cc1nn(C)c(Cl)c1C[S@](=O)CCCCC#N N#CCCC[*:1] Cc1nn(C)c(Cl)c1C[S@](=O)C[*:1]
Cc1nn(C)c(Cl)c1C[S@](=O)CCCCC#N N#CCC[*:1] Cc1nn(C)c(Cl)c1C[S@](=O)CC[*:1]
Cc1nn(C)c(Cl)c1C[S@](=O)CCCCC#N N#CC[*:1] Cc1nn(C)c(Cl)c1C[S@](=O)CCC[*:1]
CS(=O)(=O)N(Cc1ccc(Br)cc1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)N(Cc1ccc(Br)cc1)[*:1]
COC(OC)c1cc(Cl)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COC(OC)c1cc(Cl)cc(c1O)[*:1]
COC(OC)c1cc(Cl)cc([N+](=O)[O-])c1O COC(OC)[*:1] O=[N+]([O-])c1cc(Cl)cc(c1O)[*:1]
CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccccc2OC(C)C)NC(=O)N1 O=C(OCC(F)(F)F)[*:1] CC1NC(=O)N[C@@H](C=1[*:1])c1ccccc1OC(C)C
CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccccc2OC(C)C)NC(=O)N1 CC(C)O[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OCC(F)(F)F)c1ccccc1[*:1]
CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccccc2OC(C)C)NC(=O)N1 CC(C)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OCC(F)(F)F)c1ccccc1O[*:1]
CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccccc2OC(C)C)NC(=O)N1 FC(F)(F)C[*:1] CC1NC(=O)N[C@@H](C=1C(=O)O[*:1])c1ccccc1OC(C)C
CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccccc2OC(C)C)NC(=O)N1 FC(F)(F)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OC[*:1])c1ccccc1OC(C)C
COCCS(=O)(=O)[C@H](C)C(=O)NCC(C)C CC(C)[*:1] COCCS(=O)(=O)[C@H](C)C(=O)NC[*:1]
COCCS(=O)(=O)[C@H](C)C(=O)NCC(C)C CC(C)C[*:1] COCCS(=O)(=O)[C@H](C)C(=O)N[*:1]
COCCS(=O)(=O)[C@H](C)C(=O)NCC(C)C COC[*:1] CC(C)CNC(=O)[C@@H](C)S(=O)(=O)C[*:1]
COCCS(=O)(=O)[C@H](C)C(=O)NCC(C)C COCC[*:1] CC(C)CNC(=O)[C@@H](C)S(=O)(=O)[*:1]
Cc1nc(COc2ccc(CN3CCOCC34CCC4)cc2)no1 Cc1nc(C[*:1])no1 c1cc(ccc1CN1CCOCC12CCC2)O[*:1]
Cc1nc(COc2ccc(CN3CCOCC34CCC4)cc2)no1 Cc1nc(CO[*:1])no1 c1cc(ccc1CN1CCOCC12CCC2)[*:1]
Cc1nc(COc2ccc(CN3CCOCC34CCC4)cc2)no1 Cc1nc(no1)[*:1] c1cc(ccc1CN1CCOCC12CCC2)OC[*:1]
Brc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cccs1)N2 c1csc(c1)[*:1] Brc1ccc2N[C@H]([C@@H]3CCO[C@@H]3c2c1)[*:1]
Cc1ccc(C)c([C@H](C)NC(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)[C@H](C)NC(=O)C[*:1]
C=CCNC(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C Cc1nnnn1[*:1] C=CCNC(=O)C(=Cc1cccc(c1)OC)[*:1]
C=CCNC(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C C=CC[*:1] COc1cccc(/C=C(\C(=O)N[*:1])n2nnnc2C)c1
C=CCNC(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C C=CCNC(=O)[*:1] COc1cccc(/C=C(/n2nnnc2C)[*:1])c1
OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccncc2)n1Cc1ccccc1 c1ccc(cc1)[*:1] OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccncc2)n1C[*:1]
OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccncc2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccncc2)n1[*:1]
OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccncc2)n1Cc1ccccc1 c1cc(ccn1)[*:1] OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(n1Cc1ccccc1)[*:1]
CC1CCN(C(=O)c2cc(S(=O)(=O)N(C)CC(=O)N3CCc4ccccc43)c[nH]2)CC1 CC1CCN(CC1)C(=O)[*:1] CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1c[nH]c(c1)[*:1]
Cc1ccccc1[C@H]([NH3+])CCN(C)CCc1cccs1 c1csc(c1)[*:1] Cc1ccccc1[C@H]([NH3+])CCN(C)CC[*:1]
Cc1ccccc1[C@H]([NH3+])CCN(C)CCc1cccs1 c1csc(c1)C[*:1] Cc1ccccc1[C@H]([NH3+])CCN(C)C[*:1]
CC(C)CN(C)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 CC(C)C[*:1] CN(C(=O)c1ccn(n1)-c1ccc(Cl)cc1Cl)[*:1]
CC(C)CN(C)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 CC(C)[*:1] CN(C[*:1])C(=O)c1ccn(n1)-c1ccc(Cl)cc1Cl
CC(C)COC1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 CC(C)C[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(CC1)O[*:1]
CC(C)COC1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 CC(C)CO[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(CC1)[*:1]
CC(C)COC1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 CC(C)[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(CC1)OC[*:1]
NNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 O=C([O-])[*:1] NNS(=O)(=O)c1ccc(O)c(c1)[*:1]
NNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 NNS(=O)(=O)[*:1] O=C([O-])c1cc(ccc1O)[*:1]
COc1cc(/C=N/OCC(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1OC(F)F FC(F)[*:1] COc1cc(/C=N/OCC(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1O[*:1]
COc1cc(/C=N/OCC(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1OC(F)F FC(F)O[*:1] COc1cc(/C=N/OCC(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1[*:1]
O=C(c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)N1CCCS1(=O)=O Clc1ccc(cc1)[*:1] O=C(c1nn(c2CCCCCc12)[*:1])N1CCCS1(=O)=O
COC(=O)c1ccccc1S(=O)(=O)Nc1cc2c(cc1Cl)OCCO2 COC(=O)[*:1] O=S(=O)(Nc1cc2OCCOc2cc1Cl)c1ccccc1[*:1]
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@](C)(C(=O)[O-])C1 FC(F)(F)[*:1] CCOC(=O)C1C[C@](C)(C(=O)[O-])N(N=1)c1ccc(cc1[*:1])[N+](=O)[O-]
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@](C)(C(=O)[O-])C1 O=C([O-])[*:1] CCOC(=O)C1C[C@](C)(N(N=1)c1ccc(cc1C(F)(F)F)[N+](=O)[O-])[*:1]
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@](C)(C(=O)[O-])C1 O=[N+]([O-])[*:1] CCOC(=O)C1C[C@](C)(C(=O)[O-])N(N=1)c1ccc(cc1C(F)(F)F)[*:1]
Cc1nc(/C=C/C(=O)Nc2nc(-c3ccccc3)ns2)cs1 Cc1nc(cs1)[*:1] O=C(C=C[*:1])Nc1nc(ns1)-c1ccccc1
Cc1nc(/C=C/C(=O)Nc2nc(-c3ccccc3)ns2)cs1 c1ccc(cc1)[*:1] Cc1nc(/C=C/C(=O)Nc2nc(ns2)[*:1])cs1
CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H]1C(C#N)=C(N)OC2CC(C)(C)CC(=O)C=21
O=C(Nc1cc([N+](=O)[O-])ccc1F)C1(c2ccccc2)CC1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1F)[*:1])C1(CC1)c1ccccc1
O=C(Nc1cc([N+](=O)[O-])ccc1F)C1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1cc(ccc1F)[N+](=O)[O-])C1(CC1)[*:1]
CC(C)(C)Oc1cc(C(=O)NCc2nc(-c3cccs3)no2)ccn1 CC(C)(C)[*:1] O=C(NCc1nc(no1)-c1cccs1)c1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(C(=O)NCc2nc(-c3cccs3)no2)ccn1 CC(C)(C)O[*:1] O=C(NCc1nc(no1)-c1cccs1)c1ccnc(c1)[*:1]
CC(C)(C)Oc1cc(C(=O)NCc2nc(-c3cccs3)no2)ccn1 c1csc(c1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NCc1nc(no1)[*:1]
CCn1c(C)ccc(C(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1=O c1ccc2[nH]c(nc2c1)[*:1] CCn1c(C)ccc(C(=O)N2CCC[C@@H](C2)C[*:1])c1=O
COC(=O)[C@@]1(F)CCN(C(=O)Cc2c(C)nn(C)c2C)C1 COC(=O)[*:1] Cc1nn(C)c(C)c1CC(=O)N1CC[C@](F)(C1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)C[NH2+]C1CCCC1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)C[NH2+]C1CCCC1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)C[NH2+]C1CCCC1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)C[NH2+]C1CCCC1
CC(C)(C)N(CC(=O)[O-])C(=O)C[NH2+]C1CCCC1 CC(C)(C)[*:1] O=C([O-])CN(C(=O)C[NH2+]C1CCCC1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)C[NH2+]C1CCCC1 C1CCC(C1)[*:1] CC(C)(C)N(CC(=O)[O-])C(=O)C[NH2+][*:1]
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCCc2c(C(N)=O)cccc21 NC(=O)[*:1] C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCCc2c1cccc2[*:1]
C[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)c1ccccc1Br Brc1ccccc1[*:1] C[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)[*:1]
C[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)c1ccccc1Br Brc1cccc(c1)[*:1] C[C@H](NC(=O)CNC(=O)[*:1])c1ccccc1Br
CS(=O)(=O)Nc1ccc(NC(=O)Cn2ccccc2=O)cc1 O=c1ccccn1[*:1] CS(=O)(=O)Nc1ccc(cc1)NC(=O)C[*:1]
CS(=O)(=O)Nc1ccc(NC(=O)Cn2ccccc2=O)cc1 CS(=O)(=O)N[*:1] O=C(Cn1ccccc1=O)Nc1ccc(cc1)[*:1]
CCNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)cc1 CCNC(=O)[*:1] Cc1ccc(cc1F)NC(=O)C(=O)NCc1ccc(cc1)[*:1]
CCNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)cc1 Cc1ccc(cc1F)[*:1] CCNC(=O)c1ccc(cc1)CNC(=O)C(=O)N[*:1]
Cc1ccccc1NC(=O)c1ccccc1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] Cc1ccccc1NC(=O)c1ccccc1[*:1]
Cc1ccccc1NC(=O)c1ccccc1C(=O)c1ccccc1 Cc1ccccc1[*:1] O=C(N[*:1])c1ccccc1C(=O)c1ccccc1
Cc1ccccc1NC(=O)c1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)c1ccccc1C(=O)[*:1]
C[C@@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)[*:1]
Cc1ccc2c(NC(=O)c3cccc(OC(C)C)c3)cccc2n1 CC(C)O[*:1] Cc1ccc2c(cccc2n1)NC(=O)c1cccc(c1)[*:1]
Cc1ccc2c(NC(=O)c3cccc(OC(C)C)c3)cccc2n1 CC(C)[*:1] Cc1ccc2c(cccc2n1)NC(=O)c1cccc(c1)O[*:1]
CN(C)S(=O)(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(C)S(=O)(=O)Nc1ccccc1NC(=O)[*:1]
CN(C)S(=O)(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 CN(C)S(=O)(=O)N[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Cl)cc1
Cc1ccc(C(=O)N2CCN(Cc3ccccc3CO)CC2)c(F)c1F OCc1ccccc1[*:1] Cc1ccc(C(=O)N2CCN(CC2)C[*:1])c(F)c1F
CCOc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1 CCO[*:1] CSc1nnc(c(=O)n1/N=C/c1ccc(cc1)[*:1])C(C)(C)C
CCOc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1 CC(C)(C)[*:1] CCOc1ccc(/C=N/n2c(nnc(c2=O)[*:1])SC)cc1
O=C(NCCCn1cnc2ccccc21)N1CCC[C@@H]1c1ccsc1 c1cc(cs1)[*:1] O=C(NCCCn1cnc2ccccc21)N1CCC[C@H]1[*:1]
CCOC(=O)c1cc2ccc3ccccc3c2s1 CCOC(=O)[*:1] c1ccc2c(c1)ccc1cc(sc12)[*:1]
CC1(C)C[C@@H]1[NH2+]CCOCC[NH3+] [NH3+]CCO[*:1] CC1(C)C[C@@H]1[NH2+]CC[*:1]
CC1(C)C[C@@H]1[NH2+]CCOCC[NH3+] [NH3+]CC[*:1] CC1(C)C[C@@H]1[NH2+]CCO[*:1]
C[NH+](C)[C@H](CNC(=O)N[C@@H](c1nccs1)C1CC1)c1cccs1 C1CC1[*:1] C[NH+](C)[C@H](CNC(=O)N[C@@H](c1nccs1)[*:1])c1cccs1
C[NH+](C)[C@H](CNC(=O)N[C@@H](c1nccs1)C1CC1)c1cccs1 c1csc(n1)[*:1] C[NH+](C)[C@H](CNC(=O)N[C@@H](C1CC1)[*:1])c1cccs1
C[NH+](C)[C@H](CNC(=O)N[C@@H](c1nccs1)C1CC1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)N[C@@H](c1nccs1)C1CC1)[*:1]
C[C@H](Cc1ccccc1F)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](Cc1ccccc1F)NC(=O)C(=O)Nc1cccc(c1)[*:1]
C[C@H](Cc1ccccc1F)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 Fc1ccccc1C[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(c1)[N+](=O)[O-])[*:1]
C[C@H](Cc1ccccc1F)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 Fc1ccccc1[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1cccc(c1)[N+](=O)[O-]
COc1ccc(OC)c([C@@H]2OC(c3ccc(Br)cc3)=NN2C(C)=O)c1 Brc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1OC(=NN1C(C)=O)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCC3(c4cccs4)CC3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NCC1(CC1)c1cccs1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCC3(c4cccs4)CC3)CC2=O)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)NCC1(CC1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCC3(c4cccs4)CC3)CC2=O)cc1C c1csc(c1)C1(CC1)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)NC[*:1]
Cc1nn(CCCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)c(C)c1Br FC(F)[*:1] Cc1nn(CCCNS(=O)(=O)c2c(C)nn(c2C)[*:1])c(C)c1Br
Cc1nn(CCCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)c(C)c1Br Cc1nn(c(C)c1Br)[*:1] Cc1nn(c(C)c1S(=O)(=O)NCCC[*:1])C(F)F
CCOc1ccc(-c2nc([O-])c3c(n2)Oc2c(cccc2OC)C3)cc1 CCO[*:1] COc1cccc2Cc3c([O-])nc(nc3Oc21)-c1ccc(cc1)[*:1]
NC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 NC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)[N+](=O)[O-]
NC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccccc1NC(=O)c1cccc(c1)[*:1]
CCOC(=O)C1CCN(C(=O)C2(c3cc(-c4ccc(Cl)cc4)on3)CC2)CC1 CCOC(=O)[*:1] O=C(N1CCC(CC1)[*:1])C1(CC1)c1cc(on1)-c1ccc(Cl)cc1
CCOC(=O)C1CCN(C(=O)C2(c3cc(-c4ccc(Cl)cc4)on3)CC2)CC1 Clc1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)C1(CC1)c1cc(on1)[*:1]
CSc1ccc(-c2nnc(NC(=O)C3CCCC3)o2)cc1 C1CCC(C1)[*:1] CSc1ccc(cc1)-c1nnc(NC(=O)[*:1])o1
COc1ccccc1NC(=O)N[C@@H](C)Cn1cncn1 c1ncn(n1)[*:1] COc1ccccc1NC(=O)N[C@@H](C)C[*:1]
COc1ccccc1NC(=O)N[C@@H](C)Cn1cncn1 c1ncn(C[*:1])n1 COc1ccccc1NC(=O)N[C@@H](C)[*:1]
CCOc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(Br)c1OC(C)=O c1csc(c1)[*:1] CCOc1cc(/C=C2/N=C(OC2=O)[*:1])cc(Br)c1OC(C)=O
CCOc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(Br)c1OC(C)=O CC(=O)O[*:1] CCOc1cc(/C=C2/N=C(OC2=O)c2cccs2)cc(Br)c1[*:1]
CCOc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(Br)c1OC(C)=O CCO[*:1] CC(=O)Oc1c(Br)cc(/C=C2/N=C(OC2=O)c2cccs2)cc1[*:1]
O=C(CO/N=C/c1cccs1)NCc1cccc(Cl)c1 c1csc(c1)[*:1] O=C(CON=C[*:1])NCc1cccc(Cl)c1
CO[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)[*:1]
CO[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)c1ccc(F)cc1 CC(C)(C)[*:1] CO[C@H](CNC(=O)[C@@H]1CSCN1C(=O)[*:1])c1ccc(F)cc1
O=C(Nc1ccccn1)c1ccc([C@H]2CCCN2C(=O)CCn2cccn2)s1 c1cnn(c1)CC[*:1] O=C(Nc1ccccn1)c1ccc(s1)[C@H]1CCCN1C(=O)[*:1]
O=C(Nc1ccccn1)c1ccc([C@H]2CCCN2C(=O)CCn2cccn2)s1 O=C(Nc1ccccn1)[*:1] O=C(CCn1cccn1)N1CCC[C@@H]1c1ccc(s1)[*:1]
O=C(Nc1ccccn1)c1ccc([C@H]2CCCN2C(=O)CCn2cccn2)s1 c1cnn(c1)C[*:1] O=C(Nc1ccccn1)c1ccc(s1)[C@H]1CCCN1C(=O)C[*:1]
O=C(Nc1ccccn1)c1ccc([C@H]2CCCN2C(=O)CCn2cccn2)s1 c1cnn(c1)[*:1] O=C(Nc1ccccn1)c1ccc(s1)[C@H]1CCCN1C(=O)CC[*:1]
O=C(Nc1ccccn1)c1ccc([C@H]2CCCN2C(=O)CCn2cccn2)s1 c1ccc(nc1)[*:1] O=C(N[*:1])c1ccc(s1)[C@H]1CCCN1C(=O)CCn1cccn1
CC[C@H](NC(=O)OC(C)(C)C)c1nc(C)cc(C)n1 CC(C)(C)[*:1] CC[C@H](NC(=O)O[*:1])c1nc(C)cc(C)n1
CC(=O)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 CC(=O)[*:1] O=C(Cc1cccc(c1)C(F)(F)F)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] CC(=O)c1ccc(cc1)NC(=O)Cc1cccc(c1)[*:1]
CCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@@H]([NH+](C)C)C3)cn2)c1 CCc1cccc(c1)O[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)C(=O)Nc1ccc(nc1)[*:1]
CCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@@H]([NH+](C)C)C3)cn2)c1 CCc1cccc(c1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)C(=O)Nc1ccc(nc1)O[*:1]
CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2ccc(F)cc21 Cc1ccccc1[*:1] CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3[*:1])c2ccc(F)cc21
COC(=O)C1CCN(c2ncnc(NCc3ccc(OC)cc3)c2N)CC1 COc1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)c1ncnc(NC[*:1])c1N
COC(=O)C1CCN(c2ncnc(NCc3ccc(OC)cc3)c2N)CC1 COC(=O)[*:1] COc1ccc(cc1)CNc1ncnc(c1N)N1CCC(CC1)[*:1]
COC(=O)C1CCN(c2ncnc(NCc3ccc(OC)cc3)c2N)CC1 COc1ccc(cc1)C[*:1] COC(=O)C1CCN(CC1)c1ncnc(N[*:1])c1N
CN(C(=O)C[NH+]1Cc2ccccc2C1)[C@H]1CCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)C[NH+]1Cc2ccccc2C1)[C@H]1CCC[C@@H]1[*:1]
C[NH+](C)Cc1noc([C@H]2CCC[NH2+]C2)n1 C[NH+](C)C[*:1] C1C[NH2+]C[C@H](C1)c1nc(no1)[*:1]
O=c1[nH]c(CNc2cccc(Cl)c2)nn1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=c1[nH]c(CNc2cccc(Cl)c2)nn1C[*:1]
O=c1[nH]c(CNc2cccc(Cl)c2)nn1Cc1ccc(F)cc1 Clc1cccc(c1)[*:1] O=c1[nH]c(CN[*:1])nn1Cc1ccc(F)cc1
O=S(=O)(Cc1ccccc1)N1CCN(c2cnccn2)CC1 c1ccc(cc1)C[*:1] O=S(=O)(N1CCN(CC1)c1cnccn1)[*:1]
O=S(=O)(Cc1ccccc1)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] O=S(=O)(Cc1ccccc1)N1CCN(CC1)[*:1]
O=S(=O)(Cc1ccccc1)N1CCN(c2cnccn2)CC1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])N1CCN(CC1)c1cnccn1
CCc1cccc2sc(NC(=O)c3ccc(N(C)C)cc3)nc12 CN(C)[*:1] CCc1cccc2sc(nc12)NC(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 CC(C)[*:1] O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)n1nccc1NS(=O)(=O)/C=C/c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@@H](C)n1nccc1NS(=O)(=O)C=C[*:1]
CC[C@@H](C)n1nccc1NS(=O)(=O)/C=C/c1ccc(Br)cc1 CC[C@@H](C)[*:1] O=S(=O)(/C=C/c1ccc(Br)cc1)Nc1ccnn1[*:1]
CCn1c(-c2cc(NC(=O)c3ccncc3)[nH]n2)cc2c(OC)cccc21 O=C(N[*:1])c1ccncc1 CCn1c(cc2c(cccc21)OC)-c1cc([nH]n1)[*:1]
CCn1c(-c2cc(NC(=O)c3ccncc3)[nH]n2)cc2c(OC)cccc21 c1cc(ccn1)[*:1] CCn1c(cc2c(cccc21)OC)-c1cc(NC(=O)[*:1])[nH]n1
O=C(c1ccncc1)N1CCc2[nH+]c(N3CCCC3)nc(Nc3cccc(F)c3)c2C1 C1CCN(C1)[*:1] O=C(c1ccncc1)N1CCc2[nH+]c(nc(Nc3cccc(F)c3)c2C1)[*:1]
O=C(c1ccncc1)N1CCc2[nH+]c(N3CCCC3)nc(Nc3cccc(F)c3)c2C1 Fc1cccc(c1)[*:1] O=C(c1ccncc1)N1CCc2[nH+]c(nc(N[*:1])c2C1)N1CCCC1
O=C(c1ccncc1)N1CCc2[nH+]c(N3CCCC3)nc(Nc3cccc(F)c3)c2C1 c1cc(ccn1)[*:1] O=C(N1CCc2[nH+]c(nc(Nc3cccc(F)c3)c2C1)N1CCCC1)[*:1]
O=C(c1ccncc1)N1CCc2[nH+]c(N3CCCC3)nc(Nc3cccc(F)c3)c2C1 Fc1cccc(c1)N[*:1] O=C(c1ccncc1)N1CCc2[nH+]c(nc(c2C1)[*:1])N1CCCC1
COc1cc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c3c(=O)n(C)cnc23)cc(OC)c1OC Clc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)CNC(=O)c1nn(c2c(=O)n(C)cnc12)[*:1]
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)C(=O)Nc1ccc(C)nc1Cl Cc1ccc(c(Cl)n1)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)C(=O)N[*:1]
Cc1cc(NCCSCC(C)(C)O)ncc1[N+](=O)[O-] CC(C)(O)C[*:1] Cc1cc(ncc1[N+](=O)[O-])NCCS[*:1]
Cc1cc(NCCSCC(C)(C)O)ncc1[N+](=O)[O-] CC(C)(O)[*:1] Cc1cc(ncc1[N+](=O)[O-])NCCSC[*:1]
Cc1cc(NCCSCC(C)(C)O)ncc1[N+](=O)[O-] CC(C)(O)CS[*:1] Cc1cc(ncc1[N+](=O)[O-])NCC[*:1]
Cc1cc(NCCSCC(C)(C)O)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])NCCSCC(C)(C)O
CC(C)c1nccc(CN2CCC[NH+](Cc3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)C[*:1] CC(C)c1nccc(CN2CCC[NH+](CC2)[*:1])n1
CC(C)c1nccc(CN2CCC[NH+](Cc3ccc(F)cc3)CC2)n1 CC(C)[*:1] Fc1ccc(cc1)C[NH+]1CCCN(CC1)Cc1ccnc(n1)[*:1]
CC(C)c1nccc(CN2CCC[NH+](Cc3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] CC(C)c1nccc(CN2CCC[NH+](CC2)C[*:1])n1
CC[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@H](N[C@@H](C)c1ccc2NC(=O)CCc2c1)C(=O)N[*:1]
Cn1ncnc1CCNC(=O)NC[C@@](C)(O)c1cccs1 c1csc(c1)[*:1] Cn1ncnc1CCNC(=O)NC[C@@](C)(O)[*:1]
Cn1ncnc1CCNC(=O)NC[C@@](C)(O)c1cccs1 Cn1ncnc1C[*:1] C[C@@](O)(CNC(=O)NC[*:1])c1cccs1
Cn1ncnc1CCNC(=O)NC[C@@](C)(O)c1cccs1 Cn1ncnc1[*:1] C[C@@](O)(CNC(=O)NCC[*:1])c1cccs1
FC(F)(F)Cc1cccc(NCc2nc3c(s2)CCC3)c1 FC(F)(F)[*:1] c1cc(cc(c1)NCc1nc2CCCc2s1)C[*:1]
FC(F)(F)Cc1cccc(NCc2nc3c(s2)CCC3)c1 FC(F)(F)C[*:1] c1cc(cc(c1)[*:1])NCc1nc2CCCc2s1
COc1ccccc1C(=O)NC(=O)CSc1nnc2ccccn12 COc1ccccc1[*:1] O=C(CSc1nnc2ccccn12)NC(=O)[*:1]
O=C(CCNC(=O)Nc1c(F)cccc1C(F)(F)F)NC1CCCCC1 FC(F)(F)[*:1] O=C(CCNC(=O)Nc1c(F)cccc1[*:1])NC1CCCCC1
O=C(CCNC(=O)Nc1c(F)cccc1C(F)(F)F)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCNC(=O)Nc1c(F)cccc1C(F)(F)F)N[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)c1ccc(nn1)N1CCCC1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1 C1CCN(C1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1 CC(=O)N[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(nn1)N1CCCC1
O=C(Nc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc(F)c(F)c1 O=[N+]([O-])[*:1] O=C(Nc1nc2cc(ccc2s1)[*:1])c1ccc(F)c(F)c1
O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)[*:1])c1ccc(Br)cc1
O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 O=C(c1ccc(Br)cc1)[*:1] O=C(OC[*:1])[C@H]1CCCN1S(=O)(=O)c1ccccc1
O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(OCC(=O)[*:1])[C@H]1CCCN1S(=O)(=O)c1ccccc1
C[C@H]1CCC[C@@H](C[n+]2ccn(C)c2C(=O)c2cccs2)C1 O=C(c1cccs1)[*:1] C[C@H]1CCC[C@H](C1)C[n+]1ccn(C)c1[*:1]
C[C@H]1CCC[C@@H](C[n+]2ccn(C)c2C(=O)c2cccs2)C1 c1csc(c1)[*:1] C[C@H]1CCC[C@H](C1)C[n+]1ccn(C)c1C(=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)n1cccc1 c1ccc(cc1)C[*:1] Cc1ccc(Cl)cc1NC(=O)[C@H](n1cccc1)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)n1cccc1 Cc1ccc(Cl)cc1[*:1] O=C(N[*:1])[C@H](Cc1ccccc1)n1cccc1
Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)n1cccc1 c1ccn(c1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)n1cccc1 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@H](C[*:1])n1cccc1
Cc1cc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)on1 CC(C)[*:1] Cc1cc(on1)C(=O)N1C[C@@H](Nc2ccccc21)[*:1]
Cc1cc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)on1 Cc1cc(on1)[*:1] CC(C)[C@@H]1CN(C(=O)[*:1])c2ccccc2N1
Cc1csc([C@H](C#N)C(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)n1 Cc1csc(n1)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)[C@@H](C#N)[*:1]
Cc1csc([C@H](C#N)C(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)n1 CC(C)[*:1] Cc1csc(n1)[C@H](C#N)C(=O)[C@H](NC(=O)c1ccccc1F)[*:1]
Cc1csc([C@H](C#N)C(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)n1 Fc1ccccc1[*:1] Cc1csc(n1)[C@H](C#N)C(=O)[C@H](NC(=O)[*:1])C(C)C
O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2)NC1CCCCC1 O=C(C[*:1])NC1CCCCC1 O=c1cc2CCc3nc(ncc3-c2nn1[*:1])N1CCCCC1
O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=c1cc2CCc3nc(ncc3-c2nn1C[*:1])N1CCCCC1
O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2)NC1CCCCC1 C1CCN(CC1)[*:1] O=C(Cn1nc2c(cc1=O)CCc1nc(ncc1-2)[*:1])NC1CCCCC1
O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Cn1nc2c(cc1=O)CCc1nc(ncc1-2)N1CCCCC1)N[*:1]
O=C([O-])CCC(=O)N1CCCn2nc(-c3ccccc3)cc21 O=C([O-])[*:1] O=C(CC[*:1])N1CCCn2nc(cc21)-c1ccccc1
O=C([O-])CCC(=O)N1CCCn2nc(-c3ccccc3)cc21 O=C([O-])C[*:1] O=C(C[*:1])N1CCCn2nc(cc21)-c1ccccc1
O=C([O-])CCC(=O)N1CCCn2nc(-c3ccccc3)cc21 O=C([O-])CC[*:1] O=C(N1CCCn2nc(cc21)-c1ccccc1)[*:1]
O=C([O-])CCC(=O)N1CCCn2nc(-c3ccccc3)cc21 c1ccc(cc1)[*:1] O=C([O-])CCC(=O)N1CCCn2nc(cc21)[*:1]
COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(=O)c1ccccc1Cl c1ccc(nc1)[*:1] COc1cc(/C=N/NC(=O)[*:1])ccc1OC(=O)c1ccccc1Cl
COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(=O)c1ccccc1Cl Clc1ccccc1[*:1] COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(=O)[*:1]
c1ccc(N2N=NN[C@@H]2SCc2nc3ccccc3[nH]2)cc1 c1ccc(cc1)[*:1] c1ccc2[nH]c(CS[C@H]3NN=NN3[*:1])nc2c1
O=C(CCOC1CCOCC1)Nc1ccc(Oc2cccc(F)c2)cc1 Fc1cccc(c1)O[*:1] O=C(CCOC1CCOCC1)Nc1ccc(cc1)[*:1]
O=C(CCOC1CCOCC1)Nc1ccc(Oc2cccc(F)c2)cc1 C1CC(CCO1)O[*:1] O=C(CC[*:1])Nc1ccc(cc1)Oc1cccc(F)c1
O=C(CCOC1CCOCC1)Nc1ccc(Oc2cccc(F)c2)cc1 C1CC(CCO1)[*:1] O=C(CCO[*:1])Nc1ccc(cc1)Oc1cccc(F)c1
O=C(CCOC1CCOCC1)Nc1ccc(Oc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] O=C(CCOC1CCOCC1)Nc1ccc(cc1)O[*:1]
O=C(CCOC1CCOCC1)Nc1ccc(Oc2cccc(F)c2)cc1 C1CC(CCO1)OC[*:1] O=C(C[*:1])Nc1ccc(cc1)Oc1cccc(F)c1
CCOC(=O)[C@H]1CCCN1Cc1cccc(Cl)n1 CCOC(=O)[*:1] Clc1cccc(CN2CCC[C@@H]2[*:1])n1
CN(CCc1ccccn1)C(=O)CNc1ncccc1Cl c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)CNc1ncccc1Cl
CN(CCc1ccccn1)C(=O)CNc1ncccc1Cl Clc1cccnc1[*:1] CN(CCc1ccccn1)C(=O)CN[*:1]
CN(CCc1ccccn1)C(=O)CNc1ncccc1Cl c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)CNc1ncccc1Cl
COc1ccc(C(=O)NCCCc2ccccc2)c(OC)c1 c1ccc(cc1)C[*:1] COc1ccc(C(=O)NCC[*:1])c(c1)OC
COc1ccc(C(=O)NCCCc2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(C(=O)NCCC[*:1])c(c1)OC
C=C(C)C(=O)NCc1nc2ccccc2n1CC(=O)N1CCC(C)CC1 C=C(C)C(=O)N[*:1] CC1CCN(CC1)C(=O)Cn1c(C[*:1])nc2ccccc21
C=C(C)C(=O)NCc1nc2ccccc2n1CC(=O)N1CCC(C)CC1 C=C(C)[*:1] CC1CCN(CC1)C(=O)Cn1c(CNC(=O)[*:1])nc2ccccc21
C=C(C)C(=O)NCc1nc2ccccc2n1CC(=O)N1CCC(C)CC1 C=C(C)C(=O)NC[*:1] CC1CCN(CC1)C(=O)Cn1c(nc2ccccc21)[*:1]
CCc1ccc(OCC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 FC(F)O[*:1] CCc1ccc(cc1)OCC(=O)Nc1cc(C#N)ccc1[*:1]
CCc1ccc(OCC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 FC(F)[*:1] CCc1ccc(cc1)OCC(=O)Nc1cc(C#N)ccc1O[*:1]
CCc1ccc(OCC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 CCc1ccc(cc1)[*:1] N#Cc1ccc(OC(F)F)c(c1)NC(=O)CO[*:1]
CC[C@@H](NC(=O)N(C)Cc1ccc(OC)c(O)c1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)N(C)Cc1ccc(OC)c(O)c1)[*:1]
CN(C(=O)c1ccc(-c2ccncc2)[nH]c1=O)C1CCCCCCC1 C1CCCC(CCC1)[*:1] CN(C(=O)c1ccc([nH]c1=O)-c1ccncc1)[*:1]
CN(C(=O)c1ccc(-c2ccncc2)[nH]c1=O)C1CCCCCCC1 c1cc(ccn1)[*:1] CN(C(=O)c1ccc([nH]c1=O)[*:1])C1CCCCCCC1
CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 CCNC(=O)[*:1] O=C(Nc1cccc(c1)C[NH+]1CCCCC1)C(=O)N1CC(C1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)NCCCC(=O)N[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C1 CC(=O)N[*:1] O=C(CCCNC(=O)N1CCC[C@H](C1)C[*:1])Nc1ccc(Cl)cc1
CC(=O)NC[C@@H]1CCCN(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)C1 CC(=O)NC[*:1] O=C(CCCNC(=O)N1CCC[C@H](C1)[*:1])Nc1ccc(Cl)cc1
O=C(C[NH+]1CCCC1)NCc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(C[NH+]1CCCC1)NCc1ccc(cc1)O[*:1]
O=C(C[NH+]1CCCC1)NCc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(C[NH+]1CCCC1)NCc1ccc(cc1)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NC[C@@H](C)N1CCOCC1 CC(C)[*:1] C[C@H]1C[C@@H]1CN(C(=O)NC[C@@H](C)N1CCOCC1)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NC[C@@H](C)N1CCOCC1 C[C@H]1C[C@@H]1C[*:1] CC(C)N(C(=O)NC[C@@H](C)N1CCOCC1)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NC[C@@H](C)N1CCOCC1 C[C@H]1C[C@@H]1[*:1] CC(C)N(C[*:1])C(=O)NC[C@@H](C)N1CCOCC1
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NC[C@@H](C)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NC[C@@H](C)[*:1]
CCC[NH2+][C@H](c1ccc(Br)o1)[C@H]1Cc2ccccc2O1 CCC[*:1] Brc1ccc(o1)[C@@H]([NH2+][*:1])[C@H]1Cc2ccccc2O1
CCC[NH2+][C@H](c1ccc(Br)o1)[C@H]1Cc2ccccc2O1 Brc1ccc(o1)[*:1] CCC[NH2+][C@H]([C@H]1Cc2ccccc2O1)[*:1]
O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] O=C(CCc1ccc2OCOc2c1)N1CCC[C@@H](C1)[*:1]
O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] O=C(CCc1ccc2OCOc2c1)N1CCC[C@H](C1)C[*:1]
O=c1[nH]nc(SCc2ccc(Cl)cc2)n1[C@@H]1C[C@@H]2C=C[C@H]1C2 Clc1ccc(cc1)[*:1] O=c1[nH]nc(SC[*:1])n1[C@@H]1C[C@@H]2C=C[C@H]1C2
CCc1nc([C@@H]2NC(=S)NC(C)=C2C(=O)N(C)c2ccccc2)cs1 c1ccc(cc1)[*:1] CCc1nc(cs1)[C@@H]1NC(=S)NC(C)=C1C(=O)N(C)[*:1]
CCc1nc([C@@H]2NC(=S)NC(C)=C2C(=O)N(C)c2ccccc2)cs1 CCc1nc(cs1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N(C)c1ccccc1)[*:1]
O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 FC(F)(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CCS(=O)(=O)C1
O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])N[C@@H]1CCS(=O)(=O)C1
O=C(Cn1cc(Cl)cn1)N1CCC[C@H]1c1ccco1 Clc1cnn(c1)[*:1] O=C(C[*:1])N1CCC[C@H]1c1ccco1
O=C(Cn1cc(Cl)cn1)N1CCC[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(Cn1cc(Cl)cn1)N1CCC[C@@H]1[*:1]
CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1n[nH]c(=O)n1CCc1ccccc1 c1ccc(cc1)CC[*:1] CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1n[nH]c(=O)n1[*:1]
CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1n[nH]c(=O)n1CCc1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1n[nH]c(=O)n1CC[*:1]
CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1n[nH]c(=O)n1CCc1ccccc1 c1ccc(cc1)C[*:1] CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1n[nH]c(=O)n1C[*:1]
Cc1cc(C)c(NC(=O)CSC2=NC(=O)[C@H](/C=C/c3ccccc3)N=N2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CSC2N=N[C@@H](C=C[*:1])C(=O)N=2)c(C)c1
Cc1cc(C)c(NC(=O)CSC2=NC(=O)[C@H](/C=C/c3ccccc3)N=N2)c(C)c1 C(=C[*:1])c1ccccc1 Cc1cc(C)c(NC(=O)CSC2N=N[C@@H](C(=O)N=2)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CSC2=NC(=O)[C@H](/C=C/c3ccccc3)N=N2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CSC1N=N[C@@H](/C=C/c2ccccc2)C(=O)N=1)N[*:1]
CCOC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nc1N CCOC(=O)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ncc(c(N)n1)[*:1]
CCOC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nc1N Cc1ccc(Cl)cc1[*:1] CCOC(=O)c1cnc(nc1N)S[C@@H](C)C(=O)N[*:1]
CCCNC(=O)Nc1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)c1 CCC[*:1] Cc1ccc(s1)[C@H]1C[C@H]1C(=O)Oc1cccc(c1)NC(=O)N[*:1]
CCCNC(=O)Nc1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)c1 CCCNC(=O)N[*:1] Cc1ccc(s1)[C@H]1C[C@H]1C(=O)Oc1cccc(c1)[*:1]
CCCNC(=O)Nc1cccc(OC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)c1 Cc1ccc(s1)[*:1] CCCNC(=O)Nc1cccc(c1)OC(=O)[C@@H]1C[C@H]1[*:1]
COc1ccc(C2(C(=O)NCC3CCN(C(=O)c4cn(C)nc4OC)CC3)CCOCC2)cc1 COc1ccc(cc1)[*:1] COc1nn(C)cc1C(=O)N1CCC(CC1)CNC(=O)C1(CCOCC1)[*:1]
COc1ccc(C2(C(=O)NCC3CCN(C(=O)c4cn(C)nc4OC)CC3)CCOCC2)cc1 COc1nn(C)cc1[*:1] COc1ccc(cc1)C1(CCOCC1)C(=O)NCC1CCN(CC1)C(=O)[*:1]
CS(=O)(=O)NCCNC(=O)CCc1ccc(Cl)c(Cl)c1 CS(=O)(=O)N[*:1] O=C(CCc1ccc(Cl)c(Cl)c1)NCC[*:1]
CS(=O)(=O)NCCNC(=O)CCc1ccc(Cl)c(Cl)c1 CS(=O)(=O)NC[*:1] O=C(CCc1ccc(Cl)c(Cl)c1)NC[*:1]
O=C(Nc1ccc(CCN2CCOCC2)cc1)C(=O)N[C@H]1CCc2ccccc21 C1CN(CCO1)C[*:1] O=C(Nc1ccc(cc1)C[*:1])C(=O)N[C@H]1CCc2ccccc21
O=C(Nc1ccc(CCN2CCOCC2)cc1)C(=O)N[C@H]1CCc2ccccc21 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1)CC[*:1])C(=O)N[C@H]1CCc2ccccc21
O=C(Nc1ccc(CCN2CCOCC2)cc1)C(=O)N[C@H]1CCc2ccccc21 C1CN(CCO1)CC[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N[C@H]1CCc2ccccc21
CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2cnc(C)s2)C1 Cc1cnc(C[*:1])o1 CC(=O)N([C@@H]1CCN(Cc2cnc(C)s2)C1)[*:1]
CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2cnc(C)s2)C1 Cc1ncc(s1)[*:1] CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(C1)C[*:1]
CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2cnc(C)s2)C1 Cc1cnc(o1)[*:1] CC(=O)N(C[*:1])[C@@H]1CCN(Cc2cnc(C)s2)C1
CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2cnc(C)s2)C1 Cc1ncc(C[*:1])s1 CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(C1)[*:1]
Fc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1 Fc1ccccc1[*:1] Clc1ccc(cc1)-n1ncc2c(ncnc21)N1CCN(CC1)[*:1]
Fc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Fc1ccccc1N1CCN(CC1)c1ncnc2c1cnn2[*:1]
O=C([O-])[C@H]1[NH2+]CC[C@@H]1c1cc(Br)ccc1F O=C([O-])[*:1] Fc1ccc(Br)cc1[C@H]1CC[NH2+][C@@H]1[*:1]
Cc1sc2ncnc(N3CCC(C(=O)NC(C)(C)C#N)CC3)c2c1C CC(C)(C#N)[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)C(=O)N[*:1]
Cc1sc2ncnc(N3CCC(C(=O)NC(C)(C)C#N)CC3)c2c1C CC(C)(C#N)NC(=O)[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)[*:1]
COc1ccc([C@@H](CC(=O)NC[C@@H]2COc3ccccc3O2)NC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)NC[C@@H]1COc2ccccc2O1)[*:1]
COc1ccc([C@@H](CC(=O)NC[C@@H]2COc3ccccc3O2)NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@@H](CC(=O)NC[C@@H]1COc2ccccc2O1)[*:1]
CCc1cc2c(NCC(=O)N[C@@H](c3ccc(C)cc3)c3cccnc3)ncnc2s1 Cc1ccc(cc1)[*:1] CCc1cc2c(ncnc2s1)NCC(=O)N[C@@H](c1cccnc1)[*:1]
CCc1cc2c(NCC(=O)N[C@@H](c3ccc(C)cc3)c3cccnc3)ncnc2s1 c1cncc(c1)[*:1] CCc1cc2c(ncnc2s1)NCC(=O)N[C@@H](c1ccc(C)cc1)[*:1]
CCOCCN(C)Cc1cc(Br)cc2cccnc12 CCO[*:1] CN(CC[*:1])Cc1cc(Br)cc2cccnc12
CCOCCN(C)Cc1cc(Br)cc2cccnc12 CCOCC[*:1] CN(Cc1cc(Br)cc2cccnc12)[*:1]
CCOCCN(C)Cc1cc(Br)cc2cccnc12 CCOC[*:1] CN(Cc1cc(Br)cc2cccnc12)C[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CSC(C)(C)N1C=O CC(C)C[*:1] COC(=O)[C@H](NC(=O)[C@H]1CSC(C)(C)N1C=O)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CSC(C)(C)N1C=O CC(C)[*:1] COC(=O)[C@H](C[*:1])NC(=O)[C@H]1CSC(C)(C)N1C=O
COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CSC(C)(C)N1C=O COC(=O)[*:1] CC(C)C[C@H](NC(=O)[C@H]1CSC(C)(C)N1C=O)[*:1]
O[C@H](c1ccn(C[C@@H]2COc3ccccc32)c1)C1CC1 C1CC1[*:1] O[C@H](c1ccn(c1)C[C@@H]1COc2ccccc21)[*:1]
O[C@H](c1ccn(C[C@@H]2COc3ccccc32)c1)C1CC1 O[C@H](C1CC1)[*:1] c1ccc2c(c1)OC[C@H]2Cn1ccc(c1)[*:1]
CCc1ccc(Nc2nc(C(=O)NCc3ccco3)nc3ccccc23)cc1 CCc1ccc(cc1)N[*:1] O=C(NCc1ccco1)c1nc(c2ccccc2n1)[*:1]
CCc1ccc(Nc2nc(C(=O)NCc3ccco3)nc3ccccc23)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)Nc1nc(nc2ccccc12)C(=O)NC[*:1]
CCc1ccc(Nc2nc(C(=O)NCc3ccco3)nc3ccccc23)cc1 CCc1ccc(cc1)[*:1] O=C(NCc1ccco1)c1nc(N[*:1])c2ccccc2n1
CCc1ccc(Nc2nc(C(=O)NCc3ccco3)nc3ccccc23)cc1 c1coc(c1)C[*:1] CCc1ccc(cc1)Nc1nc(nc2ccccc12)C(=O)N[*:1]
CCc1ccc(Nc2nc(C(=O)NCc3ccco3)nc3ccccc23)cc1 O=C(NCc1ccco1)[*:1] CCc1ccc(cc1)Nc1nc(nc2ccccc12)[*:1]
Cc1nc(CN2CCN(Cc3ccncc3Cl)CC2)cs1 Clc1cnccc1[*:1] Cc1nc(cs1)CN1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(Cc3ccncc3Cl)CC2)cs1 Cc1nc(cs1)[*:1] Clc1cnccc1CN1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(Cc3ccncc3Cl)CC2)cs1 Cc1nc(cs1)C[*:1] Clc1cnccc1CN1CCN(CC1)[*:1]
CC(=O)c1ccc(OCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1 CC(C)(C)NC(=O)[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1cccc(c1)[*:1]
CC(=O)c1ccc(OCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1 CC(C)(C)[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(=O)c1ccc(OCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1 CC(=O)c1ccc(cc1)[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)CO[*:1]
CC(=O)c1ccc(OCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1 CC(=O)[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)COc1ccc(cc1)[*:1]
CCc1nc2ccccc2n1C1CC[NH+](CCCS(C)(=O)=O)CC1 CS(=O)(=O)CC[*:1] CCc1nc2ccccc2n1C1CC[NH+](CC1)C[*:1]
CCc1nc2ccccc2n1C1CC[NH+](CCCS(C)(=O)=O)CC1 CS(=O)(=O)[*:1] CCc1nc2ccccc2n1C1CC[NH+](CCC[*:1])CC1
CCc1nc2ccccc2n1C1CC[NH+](CCCS(C)(=O)=O)CC1 CS(=O)(=O)C[*:1] CCc1nc2ccccc2n1C1CC[NH+](CC1)CC[*:1]
CCc1nc2ccccc2n1C1CC[NH+](CCCS(C)(=O)=O)CC1 CS(=O)(=O)CCC[*:1] CCc1nc2ccccc2n1C1CC[NH+](CC1)[*:1]
O=C(c1c[nH]c2nccc(Cl)c12)N1CCC[C@@H](N2CCCC2=O)C1 O=C1CCCN1[*:1] O=C(c1c[nH]c2nccc(Cl)c12)N1CCC[C@@H](C1)[*:1]
Cc1cccc(C)c1NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)NCc1nn(c2CCCc12)[*:1]
Cc1cccc(C)c1NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 Cc1cccc(C)c1[*:1] O=C(NCc1nn(-c2ccccc2)c2CCCc12)N[*:1]
CC[C@@H](NC(=O)Cc1ccc(C)s1)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)Cc1ccc(C)s1)[*:1]
Cc1nn(C)c2ncc(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)cc12 CC(C)[*:1] Cc1nn(C)c2ncc(cc12)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)[*:1]
Cc1nn(C)c2ncc(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)cc12 CC(C)N(C)S(=O)(=O)[*:1] Cc1nn(C)c2ncc(cc12)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)N(C)Cc1ccc(Cl)s1)c1nc(C2CCCC2)no1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)N(C)C[*:1])c1nc(no1)C1CCCC1
C[C@H](NC(=O)N(C)Cc1ccc(Cl)s1)c1nc(C2CCCC2)no1 Clc1ccc(C[*:1])s1 C[C@H](NC(=O)N(C)[*:1])c1nc(no1)C1CCCC1
C[C@H](NC(=O)N(C)Cc1ccc(Cl)s1)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] C[C@H](NC(=O)N(C)Cc1ccc(Cl)s1)c1nc(no1)[*:1]
Cc1ccc(SCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(CCS[*:1])Nc1nc(cs1)-c1ccccc1
Cc1ccc(SCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 Cc1ccc(cc1)S[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1ccccc1
Cc1ccc(SCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)SCCC(=O)Nc1nc(cs1)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)[C@@H]1Cc2ccccc2C(=O)O1
CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 c1ccc(cc1)C[*:1] CC[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)[*:1]
Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)no1 FC(F)(F)[*:1] Cc1cc(no1)NC(=O)COc1ccc(cc1[*:1])[N+](=O)[O-]
Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)no1 Cc1cc(no1)[*:1] O=C(COc1ccc(cc1C(F)(F)F)[N+](=O)[O-])N[*:1]
Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)no1 O=[N+]([O-])[*:1] Cc1cc(no1)NC(=O)COc1ccc(cc1C(F)(F)F)[*:1]
CSC[C@@H](C)N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C CSC[C@@H](C)[*:1] C[C@H](NC(=O)N(C)[*:1])C(C)(C)C[NH+](C)C
CSC[C@@H](C)N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C CSC[*:1] C[C@H](NC(=O)N(C)[C@H](C)[*:1])C(C)(C)C[NH+](C)C
O=C(N[C@@H](CO)c1ccccc1F)[C@@H]1CCCS1 C1CS[C@@H](C1)[*:1] O=C(N[C@@H](CO)c1ccccc1F)[*:1]
C[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1)Cn1cccn1 c1cnn(c1)[*:1] C[C@@H](CNC(=O)N[C@@H](C)c1ccc(cc1)-c1ccncc1)C[*:1]
C[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1)Cn1cccn1 c1cnn(c1)C[*:1] C[C@H](NC(=O)NC[C@H](C)[*:1])c1ccc(cc1)-c1ccncc1
C[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1)Cn1cccn1 c1cc(ccn1)[*:1] C[C@@H](CNC(=O)N[C@@H](C)c1ccc(cc1)[*:1])Cn1cccn1
O=C(NCCCCC1CCCC1)Nc1cnn(-c2ncccn2)c1 C1CCC(C1)C[*:1] O=C(NCCC[*:1])Nc1cnn(c1)-c1ncccn1
O=C(NCCCCC1CCCC1)Nc1cnn(-c2ncccn2)c1 C1CCC(C1)CCC[*:1] O=C(NC[*:1])Nc1cnn(c1)-c1ncccn1
O=C(NCCCCC1CCCC1)Nc1cnn(-c2ncccn2)c1 C1CCC(C1)[*:1] O=C(NCCCC[*:1])Nc1cnn(c1)-c1ncccn1
O=C(NCCCCC1CCCC1)Nc1cnn(-c2ncccn2)c1 C1CCC(C1)CC[*:1] O=C(NCC[*:1])Nc1cnn(c1)-c1ncccn1
O=C(NCCCCC1CCCC1)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] O=C(NCCCCC1CCCC1)Nc1cnn(c1)[*:1]
COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](C)S[C@H](C)C2)c1 O=[N+]([O-])[*:1] COc1cc(F)c(c(c1)N1C[C@@H](C)S[C@H](C)C1)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)NCCN1CCOCC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NCCN1CCOCC1
C[C@@H](NC(=O)c1ccccc1)C(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)NCC[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)NC[*:1]
CC[C@H](C[NH3+])[C@@](C)(O)CCOC COCC[*:1] CC[C@H](C[NH3+])[C@@](C)(O)[*:1]
CC[C@H](C[NH3+])[C@@](C)(O)CCOC COC[*:1] CC[C@H](C[NH3+])[C@@](C)(O)C[*:1]
CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCOC(=O)C1=C(CC)NC2CCCC(=O)C=2[C@@H]1[*:1]
CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)cc1 CCOC(=O)[*:1] CCC1NC2CCCC(=O)C=2[C@H](C=1[*:1])c1ccc(O)cc1
CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)C1CCCCC1 C1CCC(CC1)[*:1] CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)C1CCCCC1 CC[C@H](C)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)C1CCCCC1
O=C(NC1CCCCCCC1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 O=S(=O)(N1CCCC1)[*:1] O=C(NC1CCCCCCC1)c1cc(c[nH]1)[*:1]
O=C(NC1CCCCCCC1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 C1CCCC(CCC1)[*:1] O=C(N[*:1])c1cc(c[nH]1)S(=O)(=O)N1CCCC1
Cc1[nH+]cn(C[C@@H](C)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)c1C c1ccc(cc1)[*:1] Cc1[nH+]cn(C[C@@H](C)N[C@@H](c2nc3ccccc3n2C)[*:1])c1C
C[C@@H](C1CC1)N(C)C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-] C[C@@H](C1CC1)[*:1] CN(C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-])[*:1]
C[C@@H](C1CC1)N(C)C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-] O=C([O-])[*:1] C[C@@H](C1CC1)N(C)C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1[*:1]
C[C@@H](C1CC1)N(C)C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-] C1CC1[*:1] C[C@@H](N(C)C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-])[*:1]
CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc(C)cs1 Cc1csc(n1)[*:1] CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[*:1]
CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc(C)cs1 CCC[*:1] Cc1csc(n1)NC(=O)[C@@H]1CCCCN1S(=O)(=O)[*:1]
CCc1nn(C)c(NCC(C)(C)C(=O)NC)c1[N+](=O)[O-] CNC(=O)[*:1] CCc1nn(C)c(NCC(C)(C)[*:1])c1[N+](=O)[O-]
CCc1nn(C)c(NCC(C)(C)C(=O)NC)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(NCC(C)(C)C(=O)NC)c1[*:1]
CC[C@](C)(NS(=O)(=O)c1c[nH]c(C(C)C)n1)c1nccs1 c1csc(n1)[*:1] CC[C@](C)(NS(=O)(=O)c1c[nH]c(n1)C(C)C)[*:1]
CC[C@](C)(NS(=O)(=O)c1c[nH]c(C(C)C)n1)c1nccs1 CC(C)[*:1] CC[C@](C)(NS(=O)(=O)c1c[nH]c(n1)[*:1])c1nccs1
CCN(C[C@H]1CCOC1)C(=O)[C@@H](C)c1ccc2ccccc2c1 C1C[C@@H](CO1)C[*:1] CCN(C(=O)[C@@H](C)c1ccc2ccccc2c1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)[C@@H](C)c1ccc2ccccc2c1 C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)[C@@H](C)c1ccc2ccccc2c1
COCC[NH+](C)CN1C(=O)C(=O)c2ccc(OC)cc21 COCC[*:1] COc1ccc2C(=O)C(=O)N(C[NH+](C)[*:1])c2c1
COCC[NH+](C)CN1C(=O)C(=O)c2ccc(OC)cc21 COC[*:1] COc1ccc2C(=O)C(=O)N(C[NH+](C)C[*:1])c2c1
CC(C)N(C(=O)c1ccncc1)c1ccc(C[NH3+])cc1 CC(C)[*:1] [NH3+]Cc1ccc(cc1)N(C(=O)c1ccncc1)[*:1]
CC(C)N(C(=O)c1ccncc1)c1ccc(C[NH3+])cc1 c1cc(ccn1)[*:1] CC(C)N(C(=O)[*:1])c1ccc(cc1)C[NH3+]
O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Br)c([N+](=O)[O-])c1 c1nnnn1[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(Br)c(c1)[N+](=O)[O-]
O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)-n1cnnn1)c1ccc(Br)c(c1)[*:1]
CNS(=O)(=O)c1cccc(CNC(=O)N2CCCC2)c1 CNS(=O)(=O)[*:1] O=C(NCc1cccc(c1)[*:1])N1CCCC1
COC(=O)[C@@H]1CCCCN1C(=O)C1CCN(c2nc(C)c3cc(C)ccc3n2)CC1 COC(=O)[*:1] Cc1ccc2nc(nc(C)c2c1)N1CCC(CC1)C(=O)N1CCCC[C@H]1[*:1]
COC(=O)[C@]1(N)CCC[C@@H]1CCOc1cc(F)cc(F)c1 COC(=O)[*:1] N[C@@]1(CCC[C@@H]1CCOc1cc(F)cc(F)c1)[*:1]
CCN1CCO[C@H](c2nc([C@@H](C)O)cs2)C1 C[C@@H](O)[*:1] CCN1CCO[C@@H](C1)c1nc(cs1)[*:1]
Cc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(N[*:1])c1ccc(cc1)CN1C(=O)CNC1=O
Cc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c(F)c1 O=C1CNC(=O)N1[*:1] Cc1ccc(NC(=O)c2ccc(cc2)C[*:1])c(F)c1
Cc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c(F)c1 O=C1CNC(=O)N1C[*:1] Cc1ccc(NC(=O)c2ccc(cc2)[*:1])c(F)c1
COc1ccccc1-n1nnnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] COc1ccccc1-n1nnnc1SCC(=O)Nc1nc(cs1)[*:1]
COc1ccccc1-n1nnnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 COc1ccccc1[*:1] O=C(CSc1nnnn1[*:1])Nc1nc(cs1)-c1ccccc1
O=C(CSc1ccncc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 c1cc(ccn1)[*:1] O=C(CS[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
O=C(CSc1ccncc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 c1cc(ccn1)S[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1-n1c(C)ccc1C CCOC(=O)[*:1] COc1ccc(cc1)-c1csc(c1[*:1])-n1c(C)ccc1C
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1-n1c(C)ccc1C Cc1ccc(C)n1[*:1] CCOC(=O)c1c(csc1[*:1])-c1ccc(cc1)OC
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1-n1c(C)ccc1C COc1ccc(cc1)[*:1] CCOC(=O)c1c(csc1-n1c(C)ccc1C)[*:1]
Cc1cc(CN(C)C(=O)c2ccc3ccccc3n2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)c1ccc2ccccc2n1
Cc1cc(CN(C)C(=O)c2ccc3ccccc3n2)no1 Cc1cc(C[*:1])no1 CN(C(=O)c1ccc2ccccc2n1)[*:1]
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)NCC2CCC2)c1 CC(C)N(C)C(=O)[*:1] O=C(NCC1CCC1)C(=O)Nc1cc(ccc1Cl)[*:1]
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)NCC2CCC2)c1 CC(C)[*:1] CN(C(=O)c1ccc(Cl)c(c1)NC(=O)C(=O)NCC1CCC1)[*:1]
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)NCC2CCC2)c1 C1CC(C1)[*:1] CC(C)N(C)C(=O)c1ccc(Cl)c(c1)NC(=O)C(=O)NC[*:1]
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)NCC2CCC2)c1 C1CC(C1)C[*:1] CC(C)N(C)C(=O)c1ccc(Cl)c(c1)NC(=O)C(=O)N[*:1]
CCOc1cccc2c1Oc1c(c(=O)n(-c3ccccc3)n1CC(=O)Nc1ccc(C)c(C)c1)C2 Cc1ccc(cc1C)[*:1] CCOc1cccc2Cc3c(Oc21)n(CC(=O)N[*:1])n(-c1ccccc1)c3=O
CCOc1cccc2c1Oc1c(c(=O)n(-c3ccccc3)n1CC(=O)Nc1ccc(C)c(C)c1)C2 CCO[*:1] Cc1ccc(cc1C)NC(=O)Cn1c2Oc3c(cccc3[*:1])Cc2c(=O)n1-c1ccccc1
CCOc1cccc2c1Oc1c(c(=O)n(-c3ccccc3)n1CC(=O)Nc1ccc(C)c(C)c1)C2 c1ccc(cc1)[*:1] CCOc1cccc2Cc3c(Oc21)n(CC(=O)Nc1ccc(C)c(C)c1)n(c3=O)[*:1]
CCOc1cccc2c1Oc1c(c(=O)n(-c3ccccc3)n1CC(=O)Nc1ccc(C)c(C)c1)C2 Cc1ccc(cc1C)NC(=O)[*:1] CCOc1cccc2Cc3c(Oc21)n(C[*:1])n(-c1ccccc1)c3=O
CC[C@H]1COCCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] CC[C@H]1COCCN1C(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(=O)Nc1cccc(-n2cnnc2SCc2ncoc2C(C)C)c1 CC(=O)N[*:1] CC(C)c1ocnc1CSc1nncn1-c1cccc(c1)[*:1]
CC(=O)Nc1cccc(-n2cnnc2SCc2ncoc2C(C)C)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)-n1cnnc1SCc1ncoc1[*:1]
CC(=O)Nc1cccc(-n2cnnc2SCc2ncoc2C(C)C)c1 CC(C)c1ocnc1[*:1] CC(=O)Nc1cccc(c1)-n1cnnc1SC[*:1]
COc1ccc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 O=C1CCCCN1[*:1] COc1ccc(cc1)C(=O)Nc1ccc(C)c(c1)[*:1]
COc1ccc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1N1CCCCC1=O)NC(=O)[*:1]
Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 Fc1cccc(c1)C[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)CN1CCOCC1)[*:1]
Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 Fc1cccc(c1)[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)CN1CCOCC1)C[*:1]
Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 C1CN(CCO1)C[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)[*:1])Cc1cccc(F)c1
Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 C1CN(CCO1)[*:1] Cc1cc(cc(n1)[C@H]1CCCN(C1)C(=O)C[*:1])Cc1cccc(F)c1
COC[C@@H](C)NC(=O)Cc1cc2c(cc1Br)OCCO2 COC[*:1] C[C@@H](NC(=O)Cc1cc2OCCOc2cc1Br)[*:1]
COC[C@@H](C)NC(=O)Cc1cc2c(cc1Br)OCCO2 COC[C@@H](C)[*:1] O=C(Cc1cc2OCCOc2cc1Br)N[*:1]
CN1C(=O)C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)c2cccc(c2)C[NH+](C)C)[C@H]1[*:1]
Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(Nc1cccc(c1)-c1nc2ncccc2o1)[*:1]
O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCN(Cc2cccs2)CC1 O=C(N1CCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCN(CC1)Cc1cccs1
O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCCC1)N1CCN(CC1)C[*:1]
O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C(Nc1cccc(c1)C(=O)N1CCCC1)N1CCN(CC1)[*:1]
CCCN[C@@]1(C#N)CCC[C@@H](OC[C@@H]2CCCO2)C1 CCCN[*:1] N#C[C@]1(CCC[C@H](C1)OC[C@@H]1CCCO1)[*:1]
CCCN[C@@]1(C#N)CCC[C@@H](OC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)C[*:1] CCCN[C@@]1(C#N)CCC[C@H](C1)O[*:1]
CCCN[C@@]1(C#N)CCC[C@@H](OC[C@@H]2CCCO2)C1 CCC[*:1] N#C[C@@]1(CCC[C@H](C1)OC[C@@H]1CCCO1)N[*:1]
CCCN[C@@]1(C#N)CCC[C@@H](OC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] CCCN[C@@]1(C#N)CCC[C@H](C1)OC[*:1]
O=C(NCc1nnnn1-c1cccc(F)c1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(NCc1nnnn1-c1cccc(F)c1)N[*:1]
O=C(NCc1nnnn1-c1cccc(F)c1)Nc1ccccc1F Fc1cccc(c1)[*:1] O=C(NCc1nnnn1[*:1])Nc1ccccc1F
CC(=O)Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1 CC(=O)N[*:1] O=C([O-])c1ccc(cc1C(=O)[O-])Oc1ccccc1[*:1]
CC(=O)Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1 O=C([O-])[*:1] CC(=O)Nc1ccccc1Oc1ccc(C(=O)[O-])c(c1)[*:1]
CC(=O)Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1 O=C([O-])[*:1] CC(=O)Nc1ccccc1Oc1ccc(c(c1)C(=O)[O-])[*:1]
NC(=O)CSc1ccccc1NC(=O)/C=C/c1ccc2ccccc2n1 NC(=O)[*:1] O=C(/C=C/c1ccc2ccccc2n1)Nc1ccccc1SC[*:1]
NC(=O)CSc1ccccc1NC(=O)/C=C/c1ccc2ccccc2n1 NC(=O)CS[*:1] O=C(/C=C/c1ccc2ccccc2n1)Nc1ccccc1[*:1]
NC(=O)CSc1ccccc1NC(=O)/C=C/c1ccc2ccccc2n1 NC(=O)C[*:1] O=C(/C=C/c1ccc2ccccc2n1)Nc1ccccc1S[*:1]
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)C1 c1nnnn1[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CCN(CC)C(=O)CCCn1ccnn1 c1cn(nn1)[*:1] CCN(CC)C(=O)CCC[*:1]
CC(=O)c1sc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)nc1C CC(=O)[*:1] Cc1cc2oc3C(=O)N(c4nc(C)c(s4)[*:1])[C@H](c4cccc(c4)[N+](=O)[O-])c3c(=O)c2cc1C
CC(=O)c1sc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)nc1C O=[N+]([O-])[*:1] CC(=O)c1sc(nc1C)N1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1cccc(c1)[*:1]
CC(=O)c1sc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)nc1C CC(=O)c1sc(nc1C)[*:1] Cc1cc2oc3C(=O)N([C@H](c4cccc(c4)[N+](=O)[O-])c3c(=O)c2cc1C)[*:1]
CC(=O)c1sc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)nc1C O=[N+]([O-])c1cccc(c1)[*:1] CC(=O)c1sc(nc1C)N1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1[*:1]
CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] Clc1ccccc1[*:1] CN(Cc1ccccc1)c1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CN(C[*:1])c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-]
CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccccc2Cl)c1[*:1]
CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] c1ccc(cc1)C[*:1] CN(c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-])[*:1]
CN(Cc1ccccc1)c1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] CN(Cc1ccccc1)[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1ccccc1Cl
COc1cccc(CNC(=O)c2ccc(I)cc2)c1OC Ic1ccc(cc1)[*:1] COc1cccc(CNC(=O)[*:1])c1OC
Cc1cccn2c(=O)c3cc(C(=O)N[C@@H]4CCCO4)c(N)[n+](Cc4cccnc4)c3nc12 c1cncc(c1)C[*:1] Cc1cccn2c(=O)c3cc(C(=O)N[C@@H]4CCCO4)c(N)[n+](c3nc12)[*:1]
Cc1cccn2c(=O)c3cc(C(=O)N[C@@H]4CCCO4)c(N)[n+](Cc4cccnc4)c3nc12 c1cncc(c1)[*:1] Cc1cccn2c(=O)c3cc(C(=O)N[C@@H]4CCCO4)c(N)[n+](C[*:1])c3nc12
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1ccc2ncnn2c1 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)NC1CCCC1)[*:1])c1ccc2ncnn2c1
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1ccc2ncnn2c1 c1nc2ccc(cn2n1)[*:1] O=C(NC1CCCC1)[C@H](NC(=O)[*:1])c1ccccc1
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1ccc2ncnn2c1 C1CCC(C1)[*:1] O=C(N[C@@H](C(=O)N[*:1])c1ccccc1)c1ccc2ncnn2c1
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1ccc2ncnn2c1 O=C(NC1CCCC1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1ccc2ncnn2c1
CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1C O=C([O-])[*:1] CCn1nc(C)c(NS(=O)(=O)c2cc(cc(F)c2C)[*:1])c1C
COc1cc(Cl)c(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC Cc1cc(cc(C)c1Cl)[*:1] COc1cc(Cl)c(/C=N/NC(=O)CO[*:1])cc1OC
CCc1nc(NCC2CC2)nc(OCC(=O)[O-])c1C O=C([O-])CO[*:1] CCc1nc(nc(c1C)[*:1])NCC1CC1
CCc1nc(NCC2CC2)nc(OCC(=O)[O-])c1C C1CC1[*:1] CCc1nc(nc(OCC(=O)[O-])c1C)NC[*:1]
CCc1nc(NCC2CC2)nc(OCC(=O)[O-])c1C C1CC1C[*:1] CCc1nc(nc(OCC(=O)[O-])c1C)N[*:1]
CCc1nc(NCC2CC2)nc(OCC(=O)[O-])c1C C1CC1CN[*:1] CCc1nc(nc(OCC(=O)[O-])c1C)[*:1]
CCc1nc(NCC2CC2)nc(OCC(=O)[O-])c1C O=C([O-])C[*:1] CCc1nc(nc(O[*:1])c1C)NCC1CC1
CCc1nc(NCC2CC2)nc(OCC(=O)[O-])c1C O=C([O-])[*:1] CCc1nc(nc(OC[*:1])c1C)NCC1CC1
Cc1cc(N)nc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1 Cc1cc(N)nc(n1)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CS[*:1]
CCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 O=C([O-])[*:1] CCN1C(=O)CC[C@H]([C@@H]1c1ccc(cc1)OC)[*:1]
CS[C@@H]1CCC[C@H]1NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 Fc1cccc(c1)[*:1] CS[C@@H]1CCC[C@H]1NC(=O)N(C[C@@H]1CCCO1)C[*:1]
CS[C@@H]1CCC[C@H]1NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CS[C@@H]1CCC[C@H]1NC(=O)N(Cc1cccc(F)c1)[*:1]
CS[C@@H]1CCC[C@H]1NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CS[C@@H]1CCC[C@H]1NC(=O)N(Cc1cccc(F)c1)C[*:1]
CS[C@@H]1CCC[C@H]1NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 Fc1cccc(c1)C[*:1] CS[C@@H]1CCC[C@H]1NC(=O)N(C[C@@H]1CCCO1)[*:1]
NC(=O)CCCCNC(=O)c1cc(Cl)cc(Cl)c1 NC(=O)CCC[*:1] O=C(NC[*:1])c1cc(Cl)cc(Cl)c1
NC(=O)CCCCNC(=O)c1cc(Cl)cc(Cl)c1 NC(=O)[*:1] O=C(NCCCC[*:1])c1cc(Cl)cc(Cl)c1
NC(=O)CCCCNC(=O)c1cc(Cl)cc(Cl)c1 NC(=O)CC[*:1] O=C(NCC[*:1])c1cc(Cl)cc(Cl)c1
NC(=O)CCCCNC(=O)c1cc(Cl)cc(Cl)c1 NC(=O)C[*:1] O=C(NCCC[*:1])c1cc(Cl)cc(Cl)c1
CC(C)c1ccccc1NC(=S)Nn1cnnc1 CC(C)[*:1] S=C(Nc1ccccc1[*:1])Nn1cnnc1
CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2cccs2)C1 c1csc(c1)[*:1] CCOC(=O)[C@@]1(CCCN(C1)S(=O)(=O)[*:1])Cc1ccccc1C
CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2cccs2)C1 Cc1ccccc1C[*:1] CCOC(=O)[C@@]1(CCCN(C1)S(=O)(=O)c1cccs1)[*:1]
CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2cccs2)C1 Cc1ccccc1[*:1] CCOC(=O)[C@@]1(CCCN(C1)S(=O)(=O)c1cccs1)C[*:1]
CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2cccs2)C1 CCOC(=O)[*:1] Cc1ccccc1C[C@@]1(CCCN(C1)S(=O)(=O)c1cccs1)[*:1]
CCOc1ccccc1N1CCN(C[C@H](O)c2ccccc2F)CC1 CCO[*:1] O[C@@H](CN1CCN(CC1)c1ccccc1[*:1])c1ccccc1F
CCOc1ccccc1N1CCN(C[C@H](O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CCOc1ccccc1N1CCN(CC1)C[C@H](O)[*:1]
CCC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)C[C@H](C)CC2 CCC(=O)N[*:1] C[C@@H]1CCc2nc(c3c(=O)oc4ccccc4c3c2C1)[*:1]
CCOc1ncccc1C(=O)N(CC)Cc1cnn(C)c1 Cn1cc(cn1)C[*:1] CCOc1ncccc1C(=O)N(CC)[*:1]
CCOc1ncccc1C(=O)N(CC)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] CCOc1ncccc1C(=O)N(CC)C[*:1]
CCOc1ncccc1C(=O)N(CC)Cc1cnn(C)c1 CCO[*:1] CCN(Cc1cnn(C)c1)C(=O)c1cccnc1[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NCC2(CO)CC2)cc1 OCC1(CC1)[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)C(=O)NC[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NCC2(CO)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)NCC2(CO)CC2)n(n1)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NCC2(CO)CC2)cc1 OCC1(CC1)C[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)C(=O)N[*:1]
O=C([O-])[C@@]1(Cc2ccnc3ccccc23)CCC[NH2+]C1 O=C([O-])[*:1] c1ccc2c(ccnc2c1)C[C@]1(CCC[NH2+]C1)[*:1]
C[C@H](O)C[C@H](C)CNC(=O)N[C@@H](C)c1cc2cc(Cl)ccc2o1 C[C@H](O)C[*:1] C[C@H](NC(=O)NC[C@@H](C)[*:1])c1cc2cc(Cl)ccc2o1
C[C@H](O)C[C@H](C)CNC(=O)N[C@@H](C)c1cc2cc(Cl)ccc2o1 C[C@H](O)[*:1] C[C@H](CNC(=O)N[C@@H](C)c1cc2cc(Cl)ccc2o1)C[*:1]
CC(C)c1cc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)on1 C1CCC(CC1)[*:1] CC(C)c1cc(on1)C(=O)N1CCC(CC1)NC(=O)N[*:1]
CC(C)c1cc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)on1 CC(C)c1cc(on1)[*:1] O=C(NC1CCCCC1)NC1CCN(CC1)C(=O)[*:1]
CC(C)c1cc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)on1 CC(C)[*:1] O=C(NC1CCCCC1)NC1CCN(CC1)C(=O)c1cc(no1)[*:1]
COc1ccc([C@H](O)Cc2nccs2)cc1OC c1csc(C[*:1])n1 COc1ccc(cc1OC)[C@H](O)[*:1]
COc1ccc([C@H](O)Cc2nccs2)cc1OC c1csc(n1)[*:1] COc1ccc(cc1OC)[C@H](O)C[*:1]
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1 CCC[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)N[C@@H]1C[C@H]1[*:1]
Cc1nn([C@@H](C)C(=O)[O-])c(=O)c2cc3cc(F)ccc3n12 O=C([O-])[*:1] Cc1nn(c(=O)c2cc3cc(F)ccc3n12)[C@@H](C)[*:1]
C[C@@H](CNC(=O)N1CCNC(=O)C1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](CNC(=O)N1CCNC(=O)C1)O[*:1]
COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc21 COC[*:1] O=C(N1CCCc2ccc(cc21)[N-]S(=O)(=O)c1ccc(cc1)C(F)(F)F)[*:1]
COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc21 FC(F)(F)[*:1] COCC(=O)N1CCCc2ccc(cc21)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
CCc1sc(-c2nnc(CN3CCc4sccc4[C@H]3CC)o2)cc1C CCc1sc(cc1C)[*:1] CC[C@@H]1c2ccsc2CCN1Cc1nnc(o1)[*:1]
CNC(=O)COc1ccccc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 CNC(=O)C[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@H](C1)[NH2+]Cc1ccccc1O[*:1]
CNC(=O)COc1ccccc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 CNC(=O)CO[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@H](C1)[NH2+]Cc1ccccc1[*:1]
CNC(=O)COc1ccccc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 N#Cc1ccc(c(F)c1)[*:1] CNC(=O)COc1ccccc1C[NH2+][C@@H]1CCCN(C1)[*:1]
CNC(=O)COc1ccccc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 CNC(=O)[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@H](C1)[NH2+]Cc1ccccc1OC[*:1]
CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4cc(Br)ccc4[nH]3)C2)cc1 CSc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)c1nc2cc(Br)ccc2[nH]1
CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4cc(Br)ccc4[nH]3)C2)cc1 CSc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nc2cc(Br)ccc2[nH]1
CCCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 CCC[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
CCCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 Cc1ccc(cc1)[*:1] CCCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
CCCOc1c(Cl)cc(C(=O)N2C[C@@H](C)OC[C@@H]2C)cc1OCC CCCO[*:1] CCOc1cc(cc(Cl)c1[*:1])C(=O)N1C[C@@H](C)OC[C@@H]1C
CCCOc1c(Cl)cc(C(=O)N2C[C@@H](C)OC[C@@H]2C)cc1OCC CCC[*:1] CCOc1cc(cc(Cl)c1O[*:1])C(=O)N1C[C@@H](C)OC[C@@H]1C
CCCOc1c(Cl)cc(C(=O)N2C[C@@H](C)OC[C@@H]2C)cc1OCC CCO[*:1] CCCOc1c(Cl)cc(cc1[*:1])C(=O)N1C[C@@H](C)OC[C@@H]1C
COc1ccc([C@@H]2C[C@@H](c3ccc(C)c(C)c3)Nc3ncnn32)c(OC)c1OC Cc1ccc(cc1C)[*:1] COc1ccc(c(OC)c1OC)[C@@H]1C[C@@H](Nc2ncnn21)[*:1]
CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc4nonc4c3)n2C)cc1 c1cc2nonc2cc1[*:1] CC(C)c1ccc(cc1)NC(=O)CSc1nnc(n1C)[*:1]
CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc4nonc4c3)n2C)cc1 CC(C)[*:1] Cn1c(nnc1-c1ccc2nonc2c1)SCC(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc4nonc4c3)n2C)cc1 CC(C)c1ccc(cc1)[*:1] Cn1c(nnc1-c1ccc2nonc2c1)SCC(=O)N[*:1]
C#CCNC(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 C#CC[*:1] Cc1cc(C)cc(c1)C[C@H](C)NC(=O)N[*:1]
Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCN(C1)C(=O)Nc1ccccc1)[*:1]
Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 c1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1])c1ccc(F)cc1
Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 Cn1ccnc1[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1
COc1ccccc1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O c1ccc(cc1)[*:1] COc1ccccc1NC(=O)CN1C(=O)N[C@@H](C[*:1])C1=O
COc1ccccc1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O COc1ccccc1[*:1] O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)N[*:1]
COc1ccccc1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] COc1ccccc1NC(=O)CN1C(=O)N[C@@H](C1=O)[*:1]
CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] CN(CCN1CC[NH2+]CC1)C(=O)C[*:1]
O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1cccs1 O=C(N[*:1])c1cccs1 Clc1ccccc1[C@@H](C[*:1])[NH+]1CCCCCC1
O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1cccs1 c1csc(c1)[*:1] O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)[*:1]
O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1cccs1 Clc1ccccc1[*:1] O=C(NC[C@H]([NH+]1CCCCCC1)[*:1])c1cccs1
COCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1Cl COCC[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc(Cl)cc1Cl)[*:1])c1ccc2OCCOc2c1
COCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2ccc3OCCOc3c2)[C@@H]1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1Cl c1cc2OCCOc2cc1[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(Cl)cc1Cl
COCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1Cl COC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(Cl)cc1Cl)c1ccc2OCCOc2c1
CC[C@@H](C)NC(=O)COc1cccc2c1OC(C)(C)C2 CC[C@@H](C)[*:1] CC1(C)Cc2cccc(OCC(=O)N[*:1])c2O1
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)c1ccccn1 FC(F)(F)O[*:1] O=S(=O)(c1ccc(cc1)[*:1])N(Cc1ccccc1)c1ccccn1
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)C[*:1] O=S(=O)(c1ccc(cc1)OC(F)(F)F)N(c1ccccn1)[*:1]
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)c1ccccn1 FC(F)(F)[*:1] O=S(=O)(c1ccc(cc1)O[*:1])N(Cc1ccccc1)c1ccccn1
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(cc1)OC(F)(F)F)N(C[*:1])c1ccccn1
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=S(=O)(c1ccc(cc1)OC(F)(F)F)N(Cc1ccccc1)[*:1]
COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2Cl)Nc2nnnn21 Clc1ccc(c(Cl)c1)[*:1] COC(=O)C1=C(C(=O)c2ccccc2)[C@H](Nc2nnnn21)[*:1]
COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2Cl)Nc2nnnn21 O=C(c1ccccc1)[*:1] COC(=O)C1=C([C@@H](Nc2nnnn21)c1ccc(Cl)cc1Cl)[*:1]
COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2Cl)Nc2nnnn21 c1ccc(cc1)[*:1] COC(=O)C1=C(C(=O)[*:1])[C@@H](Nc2nnnn21)c1ccc(Cl)cc1Cl
COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2Cl)Nc2nnnn21 COC(=O)[*:1] O=C(C1=C(n2nnnc2N[C@H]1c1ccc(Cl)cc1Cl)[*:1])c1ccccc1
COc1ccc(-c2onc3ccc(C(=O)/C=C/N(C)C)cc23)cc1 COc1ccc(cc1)[*:1] CN(C)/C=C/C(=O)c1ccc2noc(c2c1)[*:1]
COc1ccc(-c2onc3ccc(C(=O)/C=C/N(C)C)cc23)cc1 CN(C)/C=C/C(=O)[*:1] COc1ccc(cc1)-c1onc2ccc(cc12)[*:1]
COc1ccc(-c2onc3ccc(C(=O)/C=C/N(C)C)cc23)cc1 CN(C)[*:1] COc1ccc(cc1)-c1onc2ccc(cc12)C(=O)C=C[*:1]
COc1ccc(-c2onc3ccc(C(=O)/C=C/N(C)C)cc23)cc1 CN(C)C=C[*:1] COc1ccc(cc1)-c1onc2ccc(cc12)C(=O)[*:1]
COc1ccc2c(c1)OC[C@H](Cc1cc(C(=O)NC(C)C)ccn1)C2 CC(C)NC(=O)[*:1] COc1ccc2C[C@H](COc2c1)Cc1cc(ccn1)[*:1]
COc1ccc2c(c1)OC[C@H](Cc1cc(C(=O)NC(C)C)ccn1)C2 CC(C)[*:1] COc1ccc2C[C@H](COc2c1)Cc1cc(ccn1)C(=O)N[*:1]
O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(F)cc1F c1cnc(nc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(F)cc1F
O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(Nc1ccc(cc1)Oc1ncccn1)[*:1]
O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(F)cc1F c1cnc(nc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccc(F)cc1F
Cc1cccc(C(=O)[O-])c1OC[C@@H]1C[C@H]2CC[C@@H]1C2 O=C([O-])[*:1] Cc1cccc(c1OC[C@@H]1C[C@H]2CC[C@@H]1C2)[*:1]
CC[C@H](C)n1cnc2sc(C(C)=O)c(C)c2c1=O CC(=O)[*:1] CC[C@H](C)n1cnc2sc(c(C)c2c1=O)[*:1]
CC[C@H](C)n1cnc2sc(C(C)=O)c(C)c2c1=O CC[C@H](C)[*:1] CC(=O)c1sc2ncn(c(=O)c2c1C)[*:1]
O=C(C[C@H](O)c1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N1CCC(CC1)c1c[nH]c2ccccc12
O=C(C[C@H](O)c1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1 O[C@H](c1ccccc1)[*:1] O=C(C[*:1])N1CCC(CC1)c1c[nH]c2ccccc12
COC(=O)c1ccc([C@@H](C)OC(=O)C=C2CCSCC2)cc1 COC(=O)[*:1] C[C@@H](OC(=O)C=C1CCSCC1)c1ccc(cc1)[*:1]
Cc1csc(N(C)C(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 Cc1csc(n1)[*:1] C[C@H](C(=O)N(C)[*:1])N1C(=O)[C@H]2CCCC[C@@H]2C1=O
O=C1COc2ncc(C(=O)NCCCNC(=O)C3CCC3)cc2N1 O=C(NC[*:1])C1CCC1 O=C1COc2ncc(cc2N1)C(=O)NCC[*:1]
O=C1COc2ncc(C(=O)NCCCNC(=O)C3CCC3)cc2N1 C1CC(C1)[*:1] O=C1COc2ncc(cc2N1)C(=O)NCCCNC(=O)[*:1]
O=C1COc2ncc(C(=O)NCCCNC(=O)C3CCC3)cc2N1 O=C(N[*:1])C1CCC1 O=C1COc2ncc(cc2N1)C(=O)NCCC[*:1]
CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2cnn3C(C)C)cc1 CC(C)[*:1] CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2cnn3C(C)C)cc1 CC(C)O[*:1] CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2cnn3C(C)C)cc1 CC(C)[*:1] CC(C)Oc1ccc(cc1)[C@H]1CC(=O)Nc2c1cnn2[*:1]
CN(CC(=O)NC[C@@H](O)c1ccco1)C(=O)c1cccs1 c1coc(c1)[*:1] CN(CC(=O)NC[C@@H](O)[*:1])C(=O)c1cccs1
CN(CC(=O)NC[C@@H](O)c1ccco1)C(=O)c1cccs1 O[C@@H](c1ccco1)[*:1] CN(CC(=O)NC[*:1])C(=O)c1cccs1
CN(CC(=O)NC[C@@H](O)c1ccco1)C(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)NC[C@@H](O)c1ccco1)C(=O)[*:1]
CCc1c(C(=O)N[C@H]2CC[C@@H](SC)C2)cnn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)N[C@H]1CC[C@H](C1)SC
Cc1cc(CC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)no1 CC(C)[*:1] Cc1cc(CC(=O)N[C@H](C(=O)N2CCOCC2)[*:1])no1
Cc1cc(CC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)no1 Cc1cc(C[*:1])no1 CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCOCC1
Cc1cc(CC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)no1 Cc1cc(no1)[*:1] CC(C)[C@H](NC(=O)C[*:1])C(=O)N1CCOCC1
O=C(NCCc1cccc(Cl)c1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 Clc1cccc(c1)C[*:1] O=C(NC[*:1])[C@H]1CCCCN1S(=O)(=O)c1cccs1
O=C(NCCc1cccc(Cl)c1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 Clc1cccc(c1)[*:1] O=C(NCC[*:1])[C@H]1CCCCN1S(=O)(=O)c1cccs1
O=C(NCCc1cccc(Cl)c1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(NCCc1cccc(Cl)c1)[C@H]1CCCCN1S(=O)(=O)[*:1]
CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 O=[N+]([O-])[*:1] CN(C(=O)c1ccc(N)c(c1)[*:1])c1ccc(F)c(F)c1
NC(=O)COc1cccc(CNC(=O)[C@H]2Cc3cccc(F)c3O2)c1 NC(=O)CO[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1Cc2cccc(F)c2O1
NC(=O)COc1cccc(CNC(=O)[C@H]2Cc3cccc(F)c3O2)c1 NC(=O)C[*:1] O=C(NCc1cccc(c1)O[*:1])[C@H]1Cc2cccc(F)c2O1
NC(=O)COc1cccc(CNC(=O)[C@H]2Cc3cccc(F)c3O2)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)OC[*:1])[C@H]1Cc2cccc(F)c2O1
CN(CCc1ccncc1)C(=O)CCCc1ccc2c(c1)CC(=O)N2 c1cc(ccn1)CC[*:1] CN(C(=O)CCCc1ccc2NC(=O)Cc2c1)[*:1]
CN(CCc1ccncc1)C(=O)CCCc1ccc2c(c1)CC(=O)N2 c1cc(ccn1)C[*:1] CN(C[*:1])C(=O)CCCc1ccc2NC(=O)Cc2c1
CN(CCc1ccncc1)C(=O)CCCc1ccc2c(c1)CC(=O)N2 c1cc(ccn1)[*:1] CN(CC[*:1])C(=O)CCCc1ccc2NC(=O)Cc2c1
CCOC(=O)[C@H]1[C@@H](c2ccc(O)c(OC)c2)NC(=O)N[C@]1(O)C(F)(F)F CCOC(=O)[*:1] COc1cc(ccc1O)[C@H]1NC(=O)N[C@@](O)([C@H]1[*:1])C(F)(F)F
CCOC(=O)[C@H]1[C@@H](c2ccc(O)c(OC)c2)NC(=O)N[C@]1(O)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@H]1[C@H](NC(=O)N[C@@]1(O)[*:1])c1ccc(O)c(c1)OC
CCc1ccc([C@H](C)[NH2+]Cc2cccc(-c3ccccn3)c2)o1 c1ccc(nc1)[*:1] CCc1ccc(o1)[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
CCc1ccc([C@H](C)[NH2+]Cc2cccc(-c3ccccn3)c2)o1 CCc1ccc(o1)[*:1] C[C@H]([NH2+]Cc1cccc(c1)-c1ccccn1)[*:1]
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCCN21 c1cc2OCCOc2cc1[*:1] Cc1ccc2c(NC(=O)[C@]23[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2CCCN23)[*:1])c1C
CC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3csc(Nc4ccccc4F)n3)C2)CC1 Fc1ccccc1N[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
CC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3csc(Nc4ccccc4F)n3)C2)CC1 Fc1ccccc1[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H]1CCCN(C1)C(=O)c1csc(n1)N[*:1]
O=C(CCc1ccc(=O)[nH]n1)N1CCC[NH+](Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] O=C(CCc1ccc(=O)[nH]n1)N1CCC[NH+](CC1)[*:1]
O=C(CCc1ccc(=O)[nH]n1)N1CCC[NH+](Cc2cccc(F)c2)CC1 O=c1ccc(C[*:1])n[nH]1 O=C(C[*:1])N1CCC[NH+](CC1)Cc1cccc(F)c1
O=C(CCc1ccc(=O)[nH]n1)N1CCC[NH+](Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(CCc1ccc(=O)[nH]n1)N1CCC[NH+](CC1)C[*:1]
O=C(CCc1ccc(=O)[nH]n1)N1CCC[NH+](Cc2cccc(F)c2)CC1 O=c1ccc(n[nH]1)[*:1] O=C(CC[*:1])N1CCC[NH+](CC1)Cc1cccc(F)c1
Cc1ccc(-c2csc(=S)n2CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1c(csc1=S)[*:1])NNC(=O)C12CC3CC(CC(C3)C1)C2
Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4cccc(C)c4C)CC3)nn2)n1 Cc1cccc(c1C)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC(CC1)C(=O)N[*:1]
Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4cccc(C)c4C)CC3)nn2)n1 Cc1cc(C)n(n1)[*:1] Cc1cccc(NC(=O)C2CCN(CC2)c2ccc(nn2)[*:1])c1C
C[C@H](OC(=O)c1cn(Cc2cccnc2)nn1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)c1cn(Cc2cccnc2)nn1)[*:1]
C[C@H](OC(=O)c1cn(Cc2cccnc2)nn1)c1nccs1 c1cncc(c1)[*:1] C[C@H](OC(=O)c1cn(C[*:1])nn1)c1nccs1
C[C@H](OC(=O)c1cn(Cc2cccnc2)nn1)c1nccs1 c1cncc(c1)C[*:1] C[C@H](OC(=O)c1cn(nn1)[*:1])c1nccs1
NC(=O)NCCC(=O)NCCCn1cc[nH+]c1 NC(=O)NC[*:1] O=C(C[*:1])NCCCn1cc[nH+]c1
NC(=O)NCCC(=O)NCCCn1cc[nH+]c1 NC(=O)N[*:1] O=C(CC[*:1])NCCCn1cc[nH+]c1
COc1ccc(N(C(=O)c2ccccc2Cl)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)N(C(=O)[*:1])S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
COc1ccc(N(C(=O)c2ccccc2Cl)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)S(=O)(=O)N(C(=O)c1ccccc1Cl)[*:1]
CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2ccc(F)cc2F)O3)cc1 CS(=O)(=O)[*:1] O=C(NC[C@H]1Cc2cc(ccc2O1)-c1ccc(cc1)[*:1])c1ccc(F)cc1F
CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2ccc(F)cc2F)O3)cc1 Fc1ccc(c(F)c1)[*:1] CS(=O)(=O)c1ccc(cc1)-c1ccc2O[C@@H](CNC(=O)[*:1])Cc2c1
CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2ccc(F)cc2F)O3)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=C(NC[C@H]1Cc2cc(ccc2O1)[*:1])c1ccc(F)cc1F
CC(C)[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)NC(C)(C)C CC(C)(C)[*:1] CC(C)[C@H](Sc1nc(n[nH]1)-c1cccs1)C(=O)N[*:1]
CC(C)[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] CC(C)[C@H](Sc1nc(n[nH]1)-c1cccs1)[*:1]
CC(C)[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)NC(C)(C)C CC(C)[*:1] CC(C)(C)NC(=O)[C@@H](Sc1nc(n[nH]1)-c1cccs1)[*:1]
CC(C)[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)NC(C)(C)C c1csc(c1)[*:1] CC(C)[C@H](Sc1nc(n[nH]1)[*:1])C(=O)NC(C)(C)C
Cc1cccc(N[C@@H](C)C(=O)NC(=O)NCCc2cccs2)c1 Cc1cccc(c1)[*:1] C[C@H](N[*:1])C(=O)NC(=O)NCCc1cccs1
Cc1cccc(N[C@@H](C)C(=O)NC(=O)NCCc2cccs2)c1 c1csc(c1)[*:1] Cc1cccc(c1)N[C@@H](C)C(=O)NC(=O)NCC[*:1]
Cc1cccc(N[C@@H](C)C(=O)NC(=O)NCCc2cccs2)c1 c1csc(c1)CC[*:1] Cc1cccc(c1)N[C@@H](C)C(=O)NC(=O)N[*:1]
Cc1cccc(N[C@@H](C)C(=O)NC(=O)NCCc2cccs2)c1 c1csc(c1)C[*:1] Cc1cccc(c1)N[C@@H](C)C(=O)NC(=O)NC[*:1]
COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 NC(=O)[*:1] COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 COc1ccccc1[*:1] NC(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 CCO[*:1] C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 CCOC[*:1] C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](C1)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](CNC(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)n1 CS(=O)(=O)[*:1] Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H]2CCC[C@H](C2)[*:1])n1
Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNC(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O)C[*:1]
Cc1cc(F)ccc1S(=O)(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 Cc1cc(F)ccc1[*:1] O=C(NC1CCN(CC1)S(=O)(=O)[*:1])Oc1ccccc1
Cc1cc(F)ccc1S(=O)(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cc(F)ccc1S(=O)(=O)N1CCC(CC1)NC(=O)O[*:1]
Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)C1CC1 Cc1ccccc1[*:1] Cn1ccc(n1)NC(=O)C(=O)N[C@@H](C1CC1)[*:1]
Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)C1CC1 C1CC1[*:1] Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)[*:1]
Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)C1CC1 Cn1ccc(n1)[*:1] Cc1ccccc1[C@@H](NC(=O)C(=O)N[*:1])C1CC1
NC(=O)NCC(=O)NC1CCCCC1 NC(=O)N[*:1] O=C(C[*:1])NC1CCCCC1
CCC[C@H]1C(=O)NC(=O)C[C@@H]1c1sccc1C CCC[*:1] Cc1ccsc1[C@H]1CC(=O)NC(=O)[C@@H]1[*:1]
COc1ccc(NC(=O)NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)NC(=O)NNC(=O)[C@@H]1CC(=NO1)[*:1]
COc1ccc(NC(=O)NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)cc1 COc1ccc(cc1)[*:1] O=C(NNC(=O)[C@@H]1CC(=NO1)c1cccnc1)N[*:1]
CCC[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)C1CCOCC1 CCC[*:1] CC(C)(C)c1csc(C[C@@H]([NH2+][*:1])C2CCOCC2)n1
CCC[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)C1CCOCC1 C1CC(CCO1)[*:1] CCC[NH2+][C@H](Cc1nc(cs1)C(C)(C)C)[*:1]
CCC[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)C1CCOCC1 CC(C)(C)[*:1] CCC[NH2+][C@H](Cc1nc(cs1)[*:1])C1CCOCC1
CC(C)(C)OC(=O)c1ccc(C(=O)NC[C@@](C)(O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)c1ccc(cc1)C(=O)NC[C@@](C)(O)[*:1]
CC(C)(C)OC(=O)c1ccc(C(=O)NC[C@@](C)(O)c2ccccc2)cc1 CC(C)(C)[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)C(=O)O[*:1])c1ccccc1
CC(C)(C)OC(=O)c1ccc(C(=O)NC[C@@](C)(O)c2ccccc2)cc1 CC(C)(C)OC(=O)[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)[*:1])c1ccccc1
CCOc1ccc(N2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 CCO[*:1] O=C1S/C(=C/c2ccc(o2)-c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)N1C(=O)S/C(=C/c2ccc(o2)-c2ccccc2[*:1])C1=O
CCOc1ccc(N2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 O=[N+]([O-])c1ccccc1[*:1] CCOc1ccc(cc1)N1C(=O)S/C(=C/c2ccc(o2)[*:1])C1=O
CCOc1ccc(N2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 CCOc1ccc(cc1)[*:1] O=C1S/C(=C/c2ccc(o2)-c2ccccc2[N+](=O)[O-])C(=O)N1[*:1]
CN(Cc1cccnc1)[C@@H]1CCC[C@@H]1S(C)(=O)=O c1cncc(c1)[*:1] CN(C[*:1])[C@@H]1CCC[C@@H]1S(C)(=O)=O
CN(Cc1cccnc1)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(Cc1cccnc1)[C@@H]1CCC[C@H]1[*:1]
CC[C@@H]1CC(=O)N(C[C@@H](O)C(C)(C)C)C1 CC(C)(C)[*:1] CC[C@@H]1CC(=O)N(C[C@@H](O)[*:1])C1
Nc1cc(Br)ccc1C(=O)NCCS(N)(=O)=O NS(=O)(=O)[*:1] Nc1cc(Br)ccc1C(=O)NCC[*:1]
Nc1cc(Br)ccc1C(=O)NCCS(N)(=O)=O NS(=O)(=O)C[*:1] Nc1cc(Br)ccc1C(=O)NC[*:1]
CCc1ccc(O)c(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)c1 Cn1cc(cn1)C(=O)N[*:1] CCc1ccc(O)c(c1)C(=O)N1CCC(CC1)C[*:1]
CCc1ccc(O)c(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)c1 Cn1cc(cn1)[*:1] CCc1ccc(O)c(c1)C(=O)N1CCC(CC1)CNC(=O)[*:1]
CCc1ccc(O)c(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)c1 CCc1ccc(O)c(c1)[*:1] Cn1cc(cn1)C(=O)NCC1CCN(CC1)C(=O)[*:1]
CC1CCN(c2nc(C(F)(F)F)ccc2C(N)=S)CC1 FC(F)(F)[*:1] CC1CCN(CC1)c1nc(ccc1C(N)=S)[*:1]
CC1CCN(c2nc(C(F)(F)F)ccc2C(N)=S)CC1 NC(=S)[*:1] CC1CCN(CC1)c1nc(ccc1[*:1])C(F)(F)F
Cc1ccccc1-n1c(C)nnc1S[C@H](C)C(=O)N1CCCC1 Cc1ccccc1[*:1] Cc1nnc(S[C@H](C)C(=O)N2CCCC2)n1[*:1]
Cc1ccccc1-n1c(C)nnc1S[C@H](C)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1ccccc1-n1c(C)nnc1S[C@H](C)[*:1]
Cc1nc[nH]c1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1 Cc1nc[nH]c1[*:1] O=C(N1CCc2onc(-c3cccc(F)c3)c2C1)[*:1]
Cc1nc[nH]c1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1 Fc1cccc(c1)[*:1] Cc1nc[nH]c1C(=O)N1CCc2onc(c2C1)[*:1]
CCCN(CCO)C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 CCC[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccc(F)cc1)N(CCO)[*:1]
CCCN(CCO)C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCN(CCO)C(=O)N[C@H]1CCC[C@H]1[*:1]
CCCN(CCO)C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 OCC[*:1] CCCN(C(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1)[*:1]
CCOCc1ccccc1CNC(=O)N1CCc2ccc(OC)cc2C1 CCO[*:1] COc1ccc2CCN(Cc2c1)C(=O)NCc1ccccc1C[*:1]
CCOCc1ccccc1CNC(=O)N1CCc2ccc(OC)cc2C1 CCOC[*:1] COc1ccc2CCN(Cc2c1)C(=O)NCc1ccccc1[*:1]
CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 CCN(CC)C(=O)[*:1] O=C(Nc1ccccc1[*:1])[C@@H]1C[C@H]2CC[C@@H]1C2
CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1ccc(F)cc1F CC[C@@H](C)[*:1] O=C(N[*:1])[C@@H]1CSCN1C(=O)Cc1ccc(F)cc1F
CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1ccc(F)cc1F CC[C@@H](C)NC(=O)[*:1] O=C(Cc1ccc(F)cc1F)N1CSC[C@H]1[*:1]
CCOc1ccc(NC(=S)NC(C)(C)CC)cc1 CCO[*:1] CCC(C)(C)NC(=S)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=S)NC(C)(C)CC)cc1 CCC(C)(C)[*:1] CCOc1ccc(cc1)NC(=S)N[*:1]
O=C(NCc1ncccc1F)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(NCc1ncccc1F)N1CCOC[C@H]1[*:1]
COc1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1 FC(F)(F)[*:1] COc1cccc(c1)Cn1cc(ccc1=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)CCn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C Cc1ccc(Cl)cc1[*:1] Cc1nn(CCC(=O)N[*:1])c(C)c1S(=O)(=O)N1CCC(C)CC1
Cc1ccc(Cl)cc1NC(=O)CCn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C CC1CCN(CC1)S(=O)(=O)[*:1] Cc1ccc(Cl)cc1NC(=O)CCn1nc(C)c(c1C)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2cccs2)cs1 c1csc(c1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(cs1)[*:1]
COc1ccc(-n2ccc(CNc3ccc4ccccc4n3)n2)cc1 COc1ccc(cc1)[*:1] c1ccc2nc(ccc2c1)NCc1ccn(n1)[*:1]
CC(C)(C)CC(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2CC(F)(F)F CC(C)(C)[*:1] O=C(C[*:1])N1CCC2(CC1)Nc1ccccc1C(=O)N2CC(F)(F)F
CC(C)(C)CC(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2CC(F)(F)F FC(F)(F)[*:1] CC(C)(C)CC(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2C[*:1]
CC(C)(C)CC(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2CC(F)(F)F CC(C)(C)C[*:1] O=C1c2ccccc2NC2(CCN(CC2)C(=O)[*:1])N1CC(F)(F)F
CC(C)(C)CC(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2CC(F)(F)F FC(F)(F)C[*:1] CC(C)(C)CC(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2[*:1]
O=C(CSC(=S)N1CCCC1)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] O=C(CSC(=S)N1CCCC1)N1CCN(CC1)C[*:1]
O=C(CSC(=S)N1CCCC1)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C(CSC(=S)N1CCCC1)N1CCN(CC1)[*:1]
CC(C)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] CC(C)C(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
CC(C)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] CC(C)C(=O)N[C@@H](C)c1ccc(cc1)OC[*:1]
CC(C)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 CC(C)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)OCc1cccnc1
CC(C)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 CC(C)C(=O)N[*:1] C[C@@H](c1ccc(cc1)OCc1cccnc1)[*:1]
c1ccc(Sc2ccncc2)c(C[NH2+]C2CC2)c1 C1CC1[*:1] c1ccc(Sc2ccncc2)c(c1)C[NH2+][*:1]
c1ccc(Sc2ccncc2)c(C[NH2+]C2CC2)c1 c1cc(ccn1)[*:1] c1ccc(S[*:1])c(c1)C[NH2+]C1CC1
COC(=O)[C@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccccc1 COC(=O)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1nc(-c2cccs2)n(n1)-c1cccc(F)c1
COC(=O)[C@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccccc1 Fc1cccc(c1)[*:1] COC(=O)[C@H](NC(=O)c1nc(-c2cccs2)n(n1)[*:1])c1ccccc1
COC(=O)[C@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)c1nc(-c2cccs2)n(n1)-c1cccc(F)c1)[*:1]
COC(=O)[C@H](NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccccc1 c1csc(c1)[*:1] COC(=O)[C@H](NC(=O)c1nc(n(n1)-c1cccc(F)c1)[*:1])c1ccccc1
Cc1ccc2[nH]cc(CCC(=O)Nc3ccnc(N(C)C)n3)c2c1 CN(C)[*:1] Cc1ccc2[nH]cc(CCC(=O)Nc3ccnc(n3)[*:1])c2c1
Cc1cc(C)n(CCc2nc(-c3ccc(C)o3)cs2)n1 Cc1ccc(o1)[*:1] Cc1cc(C)n(CCc2nc(cs2)[*:1])n1
CC(C)[C@@H](O)CCNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 CC(C)[C@@H](O)[*:1] O=C(NCC[*:1])NC[C@@H]1CCN(C1)c1ccc(F)cc1
CC(C)[C@@H](O)CCNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 CC(C)[*:1] O=C(NCC[C@H](O)[*:1])NC[C@@H]1CCN(C1)c1ccc(F)cc1
CC(C)[C@@H](O)CCNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](O)CCNC(=O)NC[C@@H]1CCN(C1)[*:1]
CC(C)[C@@H](O)CCNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 CC(C)[C@@H](O)CC[*:1] O=C(NC[C@@H]1CCN(C1)c1ccc(F)cc1)N[*:1]
CC(C)[C@@H](O)CCNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 CC(C)[C@@H](O)C[*:1] O=C(NC[C@@H]1CCN(C1)c1ccc(F)cc1)NC[*:1]
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc2[nH]ccc12 O=C([O-])[*:1] CC1(C)[C@H](C(=O)Nc2cccc3[nH]ccc23)[C@@H]1[*:1]
COCCC(=O)Nc1ccc2c(c1)CN(Cc1ccc3cc(F)ccc3n1)CC2 COC[*:1] O=C(C[*:1])Nc1ccc2CCN(Cc3ccc4cc(F)ccc4n3)Cc2c1
COCCC(=O)Nc1ccc2c(c1)CN(Cc1ccc3cc(F)ccc3n1)CC2 COCC[*:1] O=C(Nc1ccc2CCN(Cc3ccc4cc(F)ccc4n3)Cc2c1)[*:1]
COCCC(=O)Nc1ccc2c(c1)CN(Cc1ccc3cc(F)ccc3n1)CC2 COCCC(=O)N[*:1] Fc1ccc2nc(ccc2c1)CN1CCc2ccc(cc2C1)[*:1]
Cc1cccnc1CN1CCN(C(=O)CCn2cc(Cl)cn2)CC1 Cc1cccnc1C[*:1] O=C(CCn1cc(Cl)cn1)N1CCN(CC1)[*:1]
Cc1cccnc1CN1CCN(C(=O)CCn2cc(Cl)cn2)CC1 Clc1cnn(c1)CC[*:1] Cc1cccnc1CN1CCN(CC1)C(=O)[*:1]
Cc1cccnc1CN1CCN(C(=O)CCn2cc(Cl)cn2)CC1 Cc1cccnc1[*:1] O=C(CCn1cc(Cl)cn1)N1CCN(CC1)C[*:1]
Cc1cccnc1CN1CCN(C(=O)CCn2cc(Cl)cn2)CC1 Clc1cnn(c1)[*:1] Cc1cccnc1CN1CCN(CC1)C(=O)CC[*:1]
Cc1cccnc1CN1CCN(C(=O)CCn2cc(Cl)cn2)CC1 Clc1cnn(c1)C[*:1] Cc1cccnc1CN1CCN(CC1)C(=O)C[*:1]
Cc1cc(C)n(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c(=O)c1 FC(F)(F)[*:1] Cc1cc(C)n(NC(=O)[C@H](C)n2nc(c(Cl)c2C)[*:1])c(=O)c1
C[C@H](O)c1cc[nH+]c(N2CCC[C@H]2CO)c1 C[C@H](O)[*:1] OC[C@@H]1CCCN1c1cc(cc[nH+]1)[*:1]
[NH3+]CCOCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 [NH3+]CCOC[*:1] O=C([O-])c1ccc(cc1Cl)NC(=O)[*:1]
[NH3+]CCOCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 [NH3+]CCO[*:1] O=C(C[*:1])Nc1ccc(C(=O)[O-])c(Cl)c1
[NH3+]CCOCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 O=C([O-])[*:1] [NH3+]CCOCC(=O)Nc1ccc(c(Cl)c1)[*:1]
[NH3+]CCOCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 [NH3+]CC[*:1] O=C(CO[*:1])Nc1ccc(C(=O)[O-])c(Cl)c1
CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O CC[C@H](C)C[*:1] C[C@H](NC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O CC[C@H](C)[*:1] C[C@@H](C[*:1])NC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O
CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C1=O)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O CC[C@H](C)C[C@H](C)[*:1] CN(C(=O)N[*:1])[C@@H]1CCN(CC(F)(F)F)C1=O
CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] CC[C@H](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C[*:1])C1=O
C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@H]1c1ccc(O)cc1 O=C(c1ccncc1)[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C([C@H]1c1ccc(O)cc1)[*:1]
C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@@H]1[*:1]
C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@H]1c1ccc(O)cc1 c1cc(ccn1)[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(O)cc1
CN(CC[NH+]1CCCC1)CC(=O)Nc1cccnc1 c1cncc(c1)[*:1] CN(CC[NH+]1CCCC1)CC(=O)N[*:1]
COc1ccc2c(=O)cc(C(=O)NCc3ccccn3)oc2c1 c1ccc(C[*:1])nc1 COc1ccc2c(=O)cc(oc2c1)C(=O)N[*:1]
COc1ccc2c(=O)cc(C(=O)NCc3ccccn3)oc2c1 c1ccc(nc1)[*:1] COc1ccc2c(=O)cc(oc2c1)C(=O)NC[*:1]
CCCCNC(=O)[C@H](C)OC(=O)c1cncc(C)c1 CCC[*:1] Cc1cncc(c1)C(=O)O[C@@H](C)C(=O)NC[*:1]
CCCCNC(=O)[C@H](C)OC(=O)c1cncc(C)c1 CCCC[*:1] Cc1cncc(c1)C(=O)O[C@@H](C)C(=O)N[*:1]
CC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(C)oc2C)cc1 Cc1cc(c(C)o1)[*:1] CC(=O)c1ccc(cc1)OCC(=O)NNC(=O)[*:1]
CC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(C)oc2C)cc1 CC(=O)[*:1] Cc1cc(C(=O)NNC(=O)COc2ccc(cc2)[*:1])c(C)o1
N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 Clc1cccc(Cl)c1[*:1] N#Cc1cccc(c1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 N#Cc1cccc(c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl)[*:1]
CCOC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 CCOC(=O)[*:1] Fc1ccc(cc1)[C@H]1C[C@H](n2nc(cc2N1)[*:1])C(F)(F)C(F)(F)F
CCOC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 FC(F)(F)C(F)(F)[*:1] CCOC(=O)c1cc2N[C@H](C[C@@H](n2n1)[*:1])c1ccc(F)cc1
CCOC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 Fc1ccc(cc1)[*:1] CCOC(=O)c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)C(F)(F)F)[*:1]
CCOC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 FC(F)(F)[*:1] CCOC(=O)c1cc2N[C@H](C[C@H](n2n1)C(F)(F)[*:1])c1ccc(F)cc1
CS(=O)(=O)CCSc1ccc2nnc(-c3ccccc3F)n2n1 Fc1ccccc1[*:1] CS(=O)(=O)CCSc1ccc2nnc(n2n1)[*:1]
CS(=O)(=O)CCSc1ccc2nnc(-c3ccccc3F)n2n1 CS(=O)(=O)CCS[*:1] Fc1ccccc1-c1nnc2ccc(nn12)[*:1]
CS(=O)(=O)CCSc1ccc2nnc(-c3ccccc3F)n2n1 CS(=O)(=O)[*:1] Fc1ccccc1-c1nnc2ccc(nn12)SCC[*:1]
CS(=O)(=O)CCSc1ccc2nnc(-c3ccccc3F)n2n1 CS(=O)(=O)C[*:1] Fc1ccccc1-c1nnc2ccc(nn12)SC[*:1]
CS(=O)(=O)CCSc1ccc2nnc(-c3ccccc3F)n2n1 CS(=O)(=O)CC[*:1] Fc1ccccc1-c1nnc2ccc(nn12)S[*:1]
Cc1ccc(-n2ncc3c(=O)nc(SCC(=O)Nc4cccc(Cl)c4)[nH]c32)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nc(=O)c2cnn(c2[nH]1)[*:1])Nc1cccc(Cl)c1
Cc1ccc(-n2ncc3c(=O)nc(SCC(=O)Nc4cccc(Cl)c4)[nH]c32)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)-n1ncc2c(=O)nc([nH]c21)SCC(=O)N[*:1]
COC(=O)[C@@H](C)SCC(=O)Nc1ccc(C(F)(F)F)cc1 COC(=O)[*:1] C[C@@H](SCC(=O)Nc1ccc(cc1)C(F)(F)F)[*:1]
COC(=O)[C@@H](C)SCC(=O)Nc1ccc(C(F)(F)F)cc1 COC(=O)[C@@H](C)S[*:1] O=C(C[*:1])Nc1ccc(cc1)C(F)(F)F
COC(=O)[C@@H](C)SCC(=O)Nc1ccc(C(F)(F)F)cc1 COC(=O)[C@@H](C)[*:1] O=C(CS[*:1])Nc1ccc(cc1)C(F)(F)F
COC(=O)[C@@H](C)SCC(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COC(=O)[C@@H](C)SCC(=O)Nc1ccc(cc1)[*:1]
COc1cc(OC)nc(N2CCN(C(=O)c3ccccc3NC(=O)Nc3ccc(F)cc3F)CC2)n1 Fc1ccc(c(F)c1)[*:1] COc1cc(nc(n1)N1CCN(CC1)C(=O)c1ccccc1NC(=O)N[*:1])OC
COc1cc(OC)nc(N2CCN(C(=O)c3ccccc3NC(=O)Nc3ccc(F)cc3F)CC2)n1 O=C(Nc1ccc(F)cc1F)N[*:1] COc1cc(nc(n1)N1CCN(CC1)C(=O)c1ccccc1[*:1])OC
COc1cc(OC)nc(N2CCN(C(=O)c3ccccc3NC(=O)Nc3ccc(F)cc3F)CC2)n1 COc1cc(nc(n1)[*:1])OC O=C(Nc1ccc(F)cc1F)Nc1ccccc1C(=O)N1CCN(CC1)[*:1]
COc1ccccc1CN1CCN(C(=O)Nc2ccccc2C)CC1 Cc1ccccc1[*:1] COc1ccccc1CN1CCN(CC1)C(=O)N[*:1]
COc1ccccc1CN1CCN(C(=O)Nc2ccccc2C)CC1 COc1ccccc1[*:1] Cc1ccccc1NC(=O)N1CCN(CC1)C[*:1]
CCNc1ncc(CN(CC)Cc2cccc(C)n2)s1 CCN[*:1] CCN(Cc1cccc(C)n1)Cc1cnc(s1)[*:1]
CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)[C@H]1CC(=O)NC(SCC(=O)N[*:1])=C1C#N
CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1 CC(C)c1ccc(cc1)[*:1] N#CC1=C(NC(=O)C[C@@H]1[*:1])SCC(=O)Nc1ccccc1
CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1 CC(C)[*:1] N#CC1=C(NC(=O)C[C@@H]1c1ccc(cc1)[*:1])SCC(=O)Nc1ccccc1
CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1 O=C(Nc1ccccc1)[*:1] CC(C)c1ccc(cc1)[C@H]1CC(=O)NC(SC[*:1])=C1C#N
Cc1ccc(C(F)(F)F)cc1NCCO FC(F)(F)[*:1] Cc1ccc(cc1NCCO)[*:1]
Cc1ccc(C(F)(F)F)cc1NCCO OCCN[*:1] Cc1ccc(cc1[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)cc1NCCO OCC[*:1] Cc1ccc(cc1N[*:1])C(F)(F)F
O=C(CNC(=O)c1ccccn1)NC[C@H]1CCC[C@@H]1O c1ccc(nc1)[*:1] O=C(CNC(=O)[*:1])NC[C@H]1CCC[C@@H]1O
CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccnc2)CC1 c1cncc(c1)[*:1] CC[NH+](CC)CC(=O)N1CCN(CC1)C(=O)C(=O)N[*:1]
CCCCN(C(=O)N[C@H](C)Cc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1cc(C)cc(c1)C[C@@H](C)NC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@H](C)Cc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 Cc1cc(C)cc(c1)[*:1] CCCCN(C(=O)N[C@H](C)C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@H](C)Cc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] Cc1cc(C)cc(c1)C[C@@H](C)NC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)N[C@H](C)Cc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCN(C(=O)N[C@H](C)Cc1cc(C)cc(C)c1)[*:1]
CC[C@@H](C)n1ncc(C(=O)NCc2csc(C(C)(C)C)n2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NCc2csc(n2)C(C)(C)C)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)NCc2csc(C(C)(C)C)n2)c1C1CC1 CC(C)(C)[*:1] CC[C@@H](C)n1ncc(C(=O)NCc2csc(n2)[*:1])c1C1CC1
CC(C)n1cnnc1S(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)n1cnnc1S(=O)(=O)[C@H](C)C(=O)N[C@@H](C)[*:1]
CC(C)n1cnnc1S(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 CC(C)[*:1] C[C@H](NC(=O)[C@@H](C)S(=O)(=O)c1nncn1[*:1])c1ccccc1
CC(C)n1cnnc1S(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CC(C)n1cnnc1S(=O)(=O)[C@H](C)C(=O)N[*:1]
C[NH+](CCNS(C)(=O)=O)C1CCC(c2ccc(O)cc2)CC1 CS(=O)(=O)NCC[*:1] C[NH+](C1CCC(CC1)c1ccc(O)cc1)[*:1]
C[NH+](CCNS(C)(=O)=O)C1CCC(c2ccc(O)cc2)CC1 CS(=O)(=O)N[*:1] C[NH+](CC[*:1])C1CCC(CC1)c1ccc(O)cc1
C[NH+](CCNS(C)(=O)=O)C1CCC(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] C[NH+](CCNS(C)(=O)=O)C1CCC(CC1)[*:1]
C[NH+](CCNS(C)(=O)=O)C1CCC(c2ccc(O)cc2)CC1 CS(=O)(=O)NC[*:1] C[NH+](C[*:1])C1CCC(CC1)c1ccc(O)cc1
O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C(Nc1cccc(c1)-c1nnnn1C1CC1)[*:1]
O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cncc(Br)c1 C1CC1n1nnnc1[*:1] O=C(Nc1cccc(c1)[*:1])c1cncc(Br)c1
O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cncc(Br)c1 C1CC1[*:1] O=C(Nc1cccc(c1)-c1nnnn1[*:1])c1cncc(Br)c1
COc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(Cl)cc1 COc1ccccc1[*:1] Cc1nnc2S[C@H](C(=O)N[*:1])[C@@H](Nn12)c1ccc(Cl)cc1
COc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1[*:1]
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(C(F)(F)F)cc1 NC(=O)[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)N[C@H]1CCC[C@H]1[*:1]
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] NC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(cc1)[*:1]
CCC[C@@H]1C[NH2+]CC[C@H]1c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)[C@@H]1CC[NH2+]C[C@H]1[*:1]
CC(C)CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CC(C)CCOc1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
CC(C)CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] CC(C)CCOc1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1[*:1]
CC(C)CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 CC(C)CCO[*:1] O=C1c2ccccc2N[C@H](c2ccc(cc2)[*:1])N1C[C@H]1CCCO1
CC(C)CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 CC(C)C[*:1] O=C1c2ccccc2N[C@H](c2ccc(cc2)OC[*:1])N1C[C@H]1CCCO1
CC(C)CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 CC(C)CC[*:1] O=C1c2ccccc2N[C@H](c2ccc(cc2)O[*:1])N1C[C@H]1CCCO1
CC(C)CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 CC(C)[*:1] O=C1c2ccccc2N[C@H](c2ccc(cc2)OCC[*:1])N1C[C@H]1CCCO1
CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O CC[C@H](C)[*:1] Cc1cccc2c1NC(=O)[C@]21N[C@H](C(C)C)[C@H]2C(=O)N(C(=O)[C@H]21)[*:1]
CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O CC(C)[*:1] CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@H]2[*:1])C(=O)Nc2c(C)cccc21
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)c(c1)[*:1]
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 c1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1ccc(F)c(c1)S(=O)(=O)N1CCCCC1
Cn1ncc(N2CC[C@@H](CNC(=O)c3c[nH]c(-c4ccccc4)n3)C2)cc1=O Cn1ncc(cc1=O)[*:1] O=C(NC[C@@H]1CCN(C1)[*:1])c1c[nH]c(n1)-c1ccccc1
Cn1ncc(N2CC[C@@H](CNC(=O)c3c[nH]c(-c4ccccc4)n3)C2)cc1=O c1ccc(cc1)[*:1] Cn1ncc(cc1=O)N1CC[C@@H](CNC(=O)c2c[nH]c(n2)[*:1])C1
CCCn1cc(C[NH2+]C[C@H](C)O)c2ccccc21 CCC[*:1] C[C@H](O)C[NH2+]Cc1cn(c2ccccc12)[*:1]
C=C(CN1C[C@@H](CC)CC1=O)C(=O)OCC CCOC(=O)[*:1] C=C(CN1C[C@@H](CC)CC1=O)[*:1]
COC(=O)[C@@H]1Cc2cccc(S(=O)(=O)N3CCCC3)c2C1 COC(=O)[*:1] O=S(=O)(c1cccc2C[C@H](Cc21)[*:1])N1CCCC1
Cc1cscc1C(=O)NC1(/C(N)=N/O)CC[NH+](C)CC1 N/C(=N\O)[*:1] Cc1cscc1C(=O)NC1(CC[NH+](C)CC1)[*:1]
Cc1cscc1C(=O)NC1(/C(N)=N/O)CC[NH+](C)CC1 Cc1cscc1[*:1] C[NH+]1CCC(CC1)(NC(=O)[*:1])/C(N)=N/O
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 C[C@@H](O)[*:1] CC(C)N(C[*:1])C(=O)Nc1ccccc1O[C@H](C)c1ccccc1
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 CC(C)[*:1] C[C@@H](O)CN(C(=O)Nc1ccccc1O[C@H](C)c1ccccc1)[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1O[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 C[C@@H](O)C[*:1] CC(C)N(C(=O)Nc1ccccc1O[C@H](C)c1ccccc1)[*:1]
CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C[C@@H](C)O)C(=O)Nc1ccccc1O[C@H](C)[*:1]
CN1C(=O)CCC[C@H](C(=O)[O-])[C@@H]1c1cccc(C2CC2)c1 O=C([O-])[*:1] CN1C(=O)CCC[C@H]([C@@H]1c1cccc(c1)C1CC1)[*:1]
CN1C(=O)CCC[C@H](C(=O)[O-])[C@@H]1c1cccc(C2CC2)c1 C1CC1[*:1] CN1C(=O)CCC[C@H](C(=O)[O-])[C@@H]1c1cccc(c1)[*:1]
COc1ccccc1N1CCN(C(=O)Cc2cc(C)on2)CC1 Cc1cc(no1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)C[*:1]
COc1ccccc1N1CCN(C(=O)Cc2cc(C)on2)CC1 Cc1cc(C[*:1])no1 COc1ccccc1N1CCN(CC1)C(=O)[*:1]
CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1C C1CO[C@@H](C1)[*:1] CCN(C[*:1])C(=O)Nc1cccc(c1C)[N+](=O)[O-]
CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(c1C)[*:1]
CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1C C1CO[C@@H](C1)C[*:1] CCN(C(=O)Nc1cccc(c1C)[N+](=O)[O-])[*:1]
CCOC(=O)N1CCC(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(OC)cc2)N3)CC1 FC(F)(F)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)c1cc2N[C@H](C[C@H](n2n1)[*:1])c1ccc(cc1)OC
CCOC(=O)N1CCC(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(OC)cc2)N3)CC1 CCOC(=O)N1CCC(CC1)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](n2nc(cc2N1)C(=O)N[*:1])C(F)(F)F
CCOC(=O)N1CCC(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(OC)cc2)N3)CC1 COc1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
Cc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CC(C)(C)C)n1 Cc1cccc(n1)[*:1] CC(C)(C)CC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1[*:1]
Cc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CC(C)(C)C)n1 CC(C)(C)C[*:1] Cc1cccc(n1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
Cc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CC(C)(C)C)n1 CC(C)(C)[*:1] Cc1cccc(n1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)C[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c(C)c1[*:1]
COC(=O)c1cc(Nc2cccnc2C)c(F)cc1N COC(=O)[*:1] Cc1ncccc1Nc1cc(c(N)cc1F)[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 Clc1cccc(c1)O[*:1] C[C@@H](C(=O)N1CCC[C@@H]1c1ccc2OCCCOc2c1)[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N1CCC[C@@H]1c1ccc2OCCCOc2c1
CC1CCN(C(=O)c2[nH]cnc2C(=O)NCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1[nH]cnc1C(=O)NC[*:1]
CC1CCN(C(=O)c2[nH]cnc2C(=O)NCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC1CCN(CC1)C(=O)c1[nH]cnc1C(=O)N[*:1]
[NH3+]CCCCC/C(=N/O)c1ccccn1 [NH3+]CCCC[*:1] O/N=C(/C[*:1])c1ccccn1
[NH3+]CCCCC/C(=N/O)c1ccccn1 [NH3+]CC[*:1] O/N=C(/CCC[*:1])c1ccccn1
[NH3+]CCCCC/C(=N/O)c1ccccn1 [NH3+]CCC[*:1] O/N=C(/CC[*:1])c1ccccn1
CCCNC(=O)c1ccc(N[C@@H](C)c2c(F)cccc2OC)nc1 CCC[*:1] COc1cccc(F)c1[C@H](C)Nc1ccc(cn1)C(=O)N[*:1]
CCCNC(=O)c1ccc(N[C@@H](C)c2c(F)cccc2OC)nc1 CCCNC(=O)[*:1] COc1cccc(F)c1[C@H](C)Nc1ccc(cn1)[*:1]
O=C(NCCCNc1ncccn1)c1cn2cccnc2n1 c1cnc(nc1)N[*:1] O=C(NCCC[*:1])c1cn2cccnc2n1
O=C(NCCCNc1ncccn1)c1cn2cccnc2n1 c1cnc(nc1)[*:1] O=C(NCCCN[*:1])c1cn2cccnc2n1
CNC(=O)c1ccc(NCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)cc1Cl CNC(=O)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CNc1ccc(c(Cl)c1)[*:1]
Cc1cccc(N2N=C(C(=O)NCc3ccccc3)CCC2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N1N=C(CCC1=O)C(=O)NC[*:1]
Cc1cccc(N2N=C(C(=O)NCc3ccccc3)CCC2=O)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)N1N=C(CCC1=O)C(=O)N[*:1]
Cc1cccc(N2N=C(C(=O)NCc3ccccc3)CCC2=O)c1 Cc1cccc(c1)[*:1] O=C(NCc1ccccc1)C1CCC(=O)N(N=1)[*:1]
CCO/C=C(/C#N)C(=O)NCc1cccc(-c2n[nH]c(C)n2)c1 CCOC=C(C#N)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)[*:1]
CCO/C=C(/C#N)C(=O)NCc1cccc(-c2n[nH]c(C)n2)c1 Cc1nc(n[nH]1)[*:1] CCO/C=C(/C#N)C(=O)NCc1cccc(c1)[*:1]
CCO/C=C(/C#N)C(=O)NCc1cccc(-c2n[nH]c(C)n2)c1 CCO[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)C(C#N)=C[*:1]
COC(=O)c1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1 COC(=O)[*:1] O=c1ccc(nn1Cc1ccc(cc1)[*:1])-c1ccccc1
COC(=O)c1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)Cn1nc(ccc1=O)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(o1)[C@@H]1Nc2ccccc2NC2C[C@@H](CC(=O)C=21)[*:1]
Cc1cc(C)cc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)c1 Cc1cc(C)cc(c1)[*:1] CC(C)c1cc(no1)[C@@H]1CCCN1C(=O)N[*:1]
Cc1cc(C)cc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)c1 CC(C)[*:1] Cc1cc(C)cc(c1)NC(=O)N1CCC[C@H]1c1cc(on1)[*:1]
Cc1cc(C)cc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)c1 CC(C)c1cc(no1)[*:1] Cc1cc(C)cc(c1)NC(=O)N1CCC[C@@H]1[*:1]
CN(C(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
CCOc1cn(-c2ccccc2)nc1C(=O)Nc1sccc1C#N CCO[*:1] N#Cc1ccsc1NC(=O)c1nn(cc1[*:1])-c1ccccc1
CCOc1cn(-c2ccccc2)nc1C(=O)Nc1sccc1C#N c1ccc(cc1)[*:1] CCOc1cn(nc1C(=O)Nc1sccc1C#N)[*:1]
CCOc1cn(-c2ccccc2)nc1C(=O)Nc1sccc1C#N N#Cc1ccsc1[*:1] CCOc1cn(nc1C(=O)N[*:1])-c1ccccc1
CCc1cc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cs1 CCc1cc(cs1)[*:1] O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
CCCn1cc[nH+]c1[C@@H](NCC)[C@H](C)OC CCC[*:1] CCN[C@H](c1[nH+]ccn1[*:1])[C@H](C)OC
CCCn1cc[nH+]c1[C@@H](NCC)[C@H](C)OC CO[C@@H](C)[*:1] CCCn1cc[nH+]c1[C@@H](NCC)[*:1]
CCCn1cc[nH+]c1[C@@H](NCC)[C@H](C)OC CCN[*:1] CCCn1cc[nH+]c1[C@@H]([C@H](C)OC)[*:1]
COCCOc1ccccc1CNc1cc(C)ccc1C COCCO[*:1] Cc1ccc(C)c(c1)NCc1ccccc1[*:1]
COCCOc1ccccc1CNc1cc(C)ccc1C COCC[*:1] Cc1ccc(C)c(c1)NCc1ccccc1O[*:1]
COCCOc1ccccc1CNc1cc(C)ccc1C COC[*:1] Cc1ccc(C)c(c1)NCc1ccccc1OC[*:1]
C[C@@H](CNC(=O)C=C1CCCCC1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)C=C1CCCCC1)c1nc(no1)[*:1]
C[C@@H](CNC(=O)C=C1CCCCC1)c1nc(-c2ccccc2)no1 C(=C1CCCCC1)[*:1] C[C@@H](CNC(=O)[*:1])c1nc(no1)-c1ccccc1
CC1=C2C(=O)N=C(CSC3=NN[C@@H](C)N3Cc3ccccc3)N=C2S[C@@H]1C c1ccc(cc1)[*:1] CC1=C2C(=O)N=C(CSC3=NN[C@@H](C)N3C[*:1])N=C2S[C@@H]1C
CC1=C2C(=O)N=C(CSC3=NN[C@@H](C)N3Cc3ccccc3)N=C2S[C@@H]1C c1ccc(cc1)C[*:1] CC1=C2C(=O)N=C(CSC3=NN[C@@H](C)N3[*:1])N=C2S[C@@H]1C
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)c1 O=c1[nH]c2ccc(cc2[nH]1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(cc1)C(=O)N[*:1]
O=C(c1cc(=O)c2ccccc2o1)N1CCC(Cn2ccc3cccnc32)CC1 c1cnc2c(c1)ccn2[*:1] O=C(c1cc(=O)c2ccccc2o1)N1CCC(CC1)C[*:1]
COCc1c(C(=O)NCc2ccccc2Cl)nnn1-c1cccc(C)c1 Clc1ccccc1C[*:1] COCc1c(nnn1-c1cccc(C)c1)C(=O)N[*:1]
COCc1c(C(=O)NCc2ccccc2Cl)nnn1-c1cccc(C)c1 Cc1cccc(c1)[*:1] COCc1c(nnn1[*:1])C(=O)NCc1ccccc1Cl
COCc1c(C(=O)NCc2ccccc2Cl)nnn1-c1cccc(C)c1 Clc1ccccc1[*:1] COCc1c(nnn1-c1cccc(C)c1)C(=O)NC[*:1]
COCc1c(C(=O)NCc2ccccc2Cl)nnn1-c1cccc(C)c1 COC[*:1] Cc1cccc(c1)-n1nnc(C(=O)NCc2ccccc2Cl)c1[*:1]
O=C(C=C1CCSCC1)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)[*:1] O=C(C=C1CCSCC1)Nc1ccc(cc1)OC[*:1]
O=C(C=C1CCSCC1)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)CO[*:1] O=C(C=C1CCSCC1)Nc1ccc(cc1)[*:1]
O=C(C=C1CCSCC1)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)C[*:1] O=C(C=C1CCSCC1)Nc1ccc(cc1)O[*:1]
CC(C)n1ccc(C/C=C/CCCl)n1 CC(C)[*:1] ClCC/C=C/Cc1ccn(n1)[*:1]
CC(C)n1ccc(C/C=C/CCCl)n1 ClCC[*:1] CC(C)n1ccc(CC=C[*:1])n1
CCOC(=O)c1cc(Cn2c(=O)c(OCC)nc3cnccc32)on1 CCOC(=O)[*:1] CCOc1nc2cnccc2n(Cc2cc(no2)[*:1])c1=O
CCOC(=O)c1cc(Cn2c(=O)c(OCC)nc3cnccc32)on1 CCO[*:1] CCOC(=O)c1cc(Cn2c(=O)c(nc3cnccc32)[*:1])on1
O=C(Cc1ccc2ccccc2c1)N[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(Cc1ccc2ccccc2c1)N[C@@H]1CCCN(C1)[*:1]
COc1ccc2c(c1)C=C(C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)CO2 Clc1ccc(cc1)[*:1] COc1ccc2OCC(=Cc2c1)C(=O)N[C@@H](C#N)[*:1]
CC[C@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCc1nc(-c3ccccc3)cs1)C2 c1ccc(cc1)[*:1] CC[C@H](C)C(=O)Nc1nc2C[C@@H](CC(=O)c2s1)C(=O)NCc1nc(cs1)[*:1]
CC[C@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCc1nc(-c3ccccc3)cs1)C2 CC[C@H](C)[*:1] O=C1C[C@H](Cc2nc(NC(=O)[*:1])sc21)C(=O)NCc1nc(cs1)-c1ccccc1
CC[C@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCc1nc(-c3ccccc3)cs1)C2 CC[C@H](C)C(=O)N[*:1] O=C1C[C@H](Cc2nc(sc21)[*:1])C(=O)NCc1nc(cs1)-c1ccccc1
Cn1cnc(CNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)n1 Cn1cnc(n1)[*:1] CC(C)(C)O[C@H](C(=O)NC[*:1])c1ccccc1
Cn1cnc(CNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)n1 CC(C)(C)[*:1] Cn1cnc(CNC(=O)[C@@H](O[*:1])c2ccccc2)n1
Cn1cnc(CNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)n1 CC(C)(C)O[*:1] Cn1cnc(CNC(=O)[C@@H](c2ccccc2)[*:1])n1
Cn1cnc(CNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cnc(CNC(=O)[C@@H](OC(C)(C)C)[*:1])n1
Cn1cnc(CNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)n1 Cn1cnc(C[*:1])n1 CC(C)(C)O[C@H](C(=O)N[*:1])c1ccccc1
Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)C2 C1C[C@H](CO1)[*:1] Cc1cn2C[C@@H](CCc2[nH+]1)NS(=O)(=O)C[*:1]
Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)C2 C1C[C@H](CO1)C[*:1] Cc1cn2C[C@@H](CCc2[nH+]1)NS(=O)(=O)[*:1]
O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc(Br)cc2)n[nH]1 Fc1cccc(Cl)c1[*:1] O=C(NN=C[*:1])c1cc(n[nH]1)-c1ccc(Br)cc1
O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc(Br)cc2)n[nH]1 Brc1ccc(cc1)[*:1] O=C(N/N=C/c1c(F)cccc1Cl)c1cc(n[nH]1)[*:1]
O=C([O-])CC(=O)OC/C=C\c1ccccc1 O=C([O-])[*:1] O=C(C[*:1])OC/C=C\c1ccccc1
O=C([O-])CC(=O)OC/C=C\c1ccccc1 O=C([O-])C[*:1] O=C(OC/C=C\c1ccccc1)[*:1]
NC(=O)[C@H]([NH2+]Cc1ccc2c(c1)CCC2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@H]([NH2+]Cc1ccc2CCCc2c1)[*:1]
NC(=O)[C@H]([NH2+]Cc1ccc2c(c1)CCC2)c1ccc(F)cc1 NC(=O)[*:1] Fc1ccc(cc1)[C@@H]([NH2+]Cc1ccc2CCCc2c1)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)c3cscc3C)ccc21 Cc1cscc1[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)c3cscc3C)ccc21 CCC[*:1] Cc1cscc1C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCc1c(C(=O)NOCC(N)=O)[nH]c(C)c1C(C)=O NC(=O)[*:1] CCCc1c([nH]c(C)c1C(C)=O)C(=O)NOC[*:1]
CCCc1c(C(=O)NOCC(N)=O)[nH]c(C)c1C(C)=O NC(=O)C[*:1] CCCc1c([nH]c(C)c1C(C)=O)C(=O)NO[*:1]
CCCc1c(C(=O)NOCC(N)=O)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCCc1c([nH]c(C)c1[*:1])C(=O)NOCC(N)=O
CCCc1c(C(=O)NOCC(N)=O)[nH]c(C)c1C(C)=O CCC[*:1] CC(=O)c1c(C)[nH]c(C(=O)NOCC(N)=O)c1[*:1]
Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1C Clc1ccc(cc1)[*:1] Cc1cccc(NC(=O)Cn2cnc3c(cnn3[*:1])c2=O)c1C
Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1C Cc1cccc(c1C)[*:1] O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)N[*:1]
CC[C@H](C)[C@H](C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CC[C@H](C)[C@H](C)NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CC[C@H](C)[C@H](C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 CC[C@H](C)[*:1] C[C@H](NC(=O)Cc1ccc(cc1)NC(=O)C1CC1)[*:1]
CC[C@H](C)[C@H](C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CC[C@H](C)[C@H](C)NC(=O)Cc1ccc(cc1)[*:1]
CC1=NC(=O)[C@H]2C(=C1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC1C=C2OC(N)=C(C#N)[C@H]([C@H]2C(=O)N=1)[*:1]
COc1ccc(C[NH+]2CCCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CO)CC1)N1CCC[NH+](CC1)C[*:1]
COc1ccc(C[NH+]2CCCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(C[NH+]1CCC(CO)CC1)N1CCC[NH+](CC1)[*:1]
C[C@@]1(c2ccccc2)CN(Cc2ccccc2)c2ccccc2CN1 c1ccc(cc1)[*:1] C[C@]1(CN(Cc2ccccc2)c2ccccc2CN1)[*:1]
C[C@@]1(c2ccccc2)CN(Cc2ccccc2)c2ccccc2CN1 c1ccc(cc1)C[*:1] C[C@]1(CN(c2ccccc2CN1)[*:1])c1ccccc1
C[C@@]1(c2ccccc2)CN(Cc2ccccc2)c2ccccc2CN1 c1ccc(cc1)[*:1] C[C@]1(CN(C[*:1])c2ccccc2CN1)c1ccccc1
O=C(Cc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc(Cl)cc1Cl)NNC(=O)[*:1]
O=C([O-])[C@]1(CCc2cccnc2)C[C@H]2CC[C@@H]1O2 O=C([O-])[*:1] c1cncc(c1)CC[C@@]1(C[C@H]2CC[C@@H]1O2)[*:1]
O=C([O-])[C@]1(CCc2cccnc2)C[C@H]2CC[C@@H]1O2 c1cncc(c1)[*:1] O=C([O-])[C@]1(CC[*:1])C[C@H]2CC[C@@H]1O2
O=C(NC[C@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccc[nH]c1=O Fc1cccc(c1)C[*:1] O=C(NC[C@H](N1CCCC1=O)[*:1])c1ccc[nH]c1=O
O=C(NC[C@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccc[nH]c1=O Fc1cccc(c1)[*:1] O=C(NC[C@H](C[*:1])N1CCCC1=O)c1ccc[nH]c1=O
O=C(NC[C@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccc[nH]c1=O O=C1CCCN1[*:1] O=C(NC[C@H](Cc1cccc(F)c1)[*:1])c1ccc[nH]c1=O
O=C(NC[C@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccc[nH]c1=O O=c1[nH]cccc1[*:1] O=C1CCCN1[C@H](CNC(=O)[*:1])Cc1cccc(F)c1
CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@]1(O)CCc2ccccc21 CCN(CC)C(=O)[*:1] C[C@@H](C[*:1])[NH2+]C[C@@]1(O)CCc2ccccc21
COC[C@H](Nc1ccc2nnc(C3CC3)n2n1)c1ccc(C)o1 COC[*:1] Cc1ccc(o1)[C@@H](Nc1ccc2nnc(C3CC3)n2n1)[*:1]
COC[C@H](Nc1ccc2nnc(C3CC3)n2n1)c1ccc(C)o1 Cc1ccc(o1)[*:1] COC[C@H](Nc1ccc2nnc(C3CC3)n2n1)[*:1]
COC[C@H](Nc1ccc2nnc(C3CC3)n2n1)c1ccc(C)o1 C1CC1[*:1] COC[C@H](Nc1ccc2nnc(n2n1)[*:1])c1ccc(C)o1
Cc1ccc([C@H](C)NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)s1 Cc1ccc(s1)[*:1] C[C@H](NC(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
Cc1ccc([C@H](C)NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)s1 Cc1ccc(s1)[C@H](C)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N[*:1]
Cc1ccc(/C=C/C(=O)N2CCc3c(sc4ncnc(N)c34)C2)cc1 Cc1ccc(cc1)[*:1] Nc1ncnc2sc3CN(CCc3c12)C(=O)C=C[*:1]
C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(Br)cc1 C=CCOC(=O)[*:1] CC1Nc2[nH]c(=O)[nH]c(=O)c2[C@H](C=1[*:1])c1ccc(Br)cc1
C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(Br)cc1 C=CC[*:1] CC1Nc2[nH]c(=O)[nH]c(=O)c2[C@H](C=1C(=O)O[*:1])c1ccc(Br)cc1
C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1[*:1]
CC(C)Cc1nnc(NC(=O)CCC(=O)N2C[C@@H](C)C[C@H](C)C2)s1 CC(C)C[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CCC(=O)Nc1nnc(s1)[*:1]
CC(C)Cc1nnc(NC(=O)CCC(=O)N2C[C@@H](C)C[C@H](C)C2)s1 CC(C)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CCC(=O)Nc1nnc(C[*:1])s1
COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2[C@H](C)[NH+]2CCCCC2)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)-n1c(nnc1[C@H](C)[NH+]1CCCCC1)SC[*:1]
COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2[C@H](C)[NH+]2CCCCC2)cc1 O=C(C[*:1])N1CCOCC1 COc1ccc(cc1)-n1c(nnc1[C@H](C)[NH+]1CCCCC1)S[*:1]
COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2[C@H](C)[NH+]2CCCCC2)cc1 O=C(CS[*:1])N1CCOCC1 COc1ccc(cc1)-n1c(nnc1[*:1])[C@H](C)[NH+]1CCCCC1
COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2[C@H](C)[NH+]2CCCCC2)cc1 COc1ccc(cc1)[*:1] C[C@@H](c1nnc(SCC(=O)N2CCOCC2)n1[*:1])[NH+]1CCCCC1
CC(C)Sc1nnc2ccc(-c3cccnc3)nn12 CC(C)[*:1] c1cncc(c1)-c1ccc2nnc(S[*:1])n2n1
CC(C)Sc1nnc2ccc(-c3cccnc3)nn12 c1cncc(c1)[*:1] CC(C)Sc1nnc2ccc(nn12)[*:1]
CC(C)Sc1nnc2ccc(-c3cccnc3)nn12 CC(C)S[*:1] c1cncc(c1)-c1ccc2nnc(n2n1)[*:1]
C[C@@H](CCCO)NC(=O)NCc1ccc(Cl)cc1Cl OCC[*:1] C[C@@H](C[*:1])NC(=O)NCc1ccc(Cl)cc1Cl
C[C@@H](CCCO)NC(=O)NCc1ccc(Cl)cc1Cl C[C@@H](CCCO)[*:1] O=C(NCc1ccc(Cl)cc1Cl)N[*:1]
C[C@@H](CCCO)NC(=O)NCc1ccc(Cl)cc1Cl OCCC[*:1] C[C@@H](NC(=O)NCc1ccc(Cl)cc1Cl)[*:1]
O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(NCC1(CCCCC1)[NH+]1CCSCC1)N[C@H]1CC(=O)N(C1)[*:1]
Cc1ccnc(NNC(=O)CCn2cnc3c(C)cccc3c2=O)c1 Cc1ccnc(c1)[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)NN[*:1]
Cn1cc(CNCC2([NH+]3CCCCC3)CCOCC2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(CNCC2(CCOCC2)[NH+]2CCCCC2)c(n1)[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)C[C@H]1C=CCC1 c1ccc(cc1)[*:1] Cc1cnn(c1NC(=O)C[C@H]1C=CCC1)[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)c2cnc(Cl)c(Cl)c2)CC1 Clc1cc(cnc1Cl)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)c2cnc(Cl)c(Cl)c2)CC1 CC(C)(C)[*:1] O=C(NC1CCC(CC1)C(=O)O[*:1])c1cnc(Cl)c(Cl)c1
CC(C)(C)OC(=O)C1CCC(NC(=O)c2cnc(Cl)c(Cl)c2)CC1 CC(C)(C)OC(=O)[*:1] O=C(NC1CCC(CC1)[*:1])c1cnc(Cl)c(Cl)c1
Cc1ccccc1[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)[C@H](C)CO1 Cc1ccccc1[*:1] CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@H](OC[C@H]1C)[*:1]
Cc1ccccc1[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)[C@H](C)CO1 CC(C)[*:1] Cc1ccccc1[C@@H]1CN(C(=O)NCc2[nH+]ccn2C[*:1])[C@H](C)CO1
Cc1ccccc1[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)[C@H](C)CO1 CC(C)C[*:1] Cc1ccccc1[C@@H]1CN(C(=O)NCc2[nH+]ccn2[*:1])[C@H](C)CO1
O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Cl)c2cc3c(cc2N1)OCO3 O=[N+]([O-])[*:1] O=C1C[C@@H](c2cc(ccc2Cl)[*:1])c2cc3OCOc3cc2N1
O=C(C[C@@H]1CCCO1)N1CCC[C@@H](n2cncn2)C1 c1ncn(n1)[*:1] O=C(C[C@@H]1CCCO1)N1CCC[C@@H](C1)[*:1]
O=C(C[C@@H]1CCCO1)N1CCC[C@@H](n2cncn2)C1 C1CO[C@@H](C1)[*:1] O=C(C[*:1])N1CCC[C@H](C1)n1cncn1
O=C(C[C@@H]1CCCO1)N1CCC[C@@H](n2cncn2)C1 C1CO[C@@H](C1)C[*:1] O=C(N1CCC[C@H](C1)n1cncn1)[*:1]
O=C(NCCC(F)(F)F)N1CCOc2ccccc2C1 FC(F)(F)[*:1] O=C(NCC[*:1])N1CCOc2ccccc2C1
O=C(NCCC(F)(F)F)N1CCOc2ccccc2C1 FC(F)(F)C[*:1] O=C(NC[*:1])N1CCOc2ccccc2C1
O=C(NCCC(F)(F)F)N1CCOc2ccccc2C1 FC(F)(F)CC[*:1] O=C(N[*:1])N1CCOc2ccccc2C1
Cn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cn1 Cn1cc(cn1)[*:1] O=C(N1CCC[C@@H]1[C@H]1CCC[C@@H]1O)[*:1]
Cn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cn1 O[C@H]1CCC[C@@H]1[*:1] Cn1cc(cn1)C(=O)N1CCC[C@H]1[*:1]
Cc1oc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1C O=C([O-])[*:1] Cc1oc(C)c(C(=O)Nc2cc(ccc2Cl)[*:1])c1C
Cc1cc(C)n(-c2ccc(NC(=O)CCNC(N)=O)cn2)n1 Cc1cc(C)n(n1)[*:1] NC(=O)NCCC(=O)Nc1ccc(nc1)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)CCNC(N)=O)cn2)n1 NC(=O)N[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)NC(=O)CC[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)CCNC(N)=O)cn2)n1 NC(=O)NCC[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)NC(=O)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)CCNC(N)=O)cn2)n1 NC(=O)NC[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)NC(=O)C[*:1]
O=C([O-])[C@H]1[NH+]=c2ccccc2=C1C[NH2+]CCc1ccccc1 c1ccc(cc1)C[*:1] O=C([O-])[C@H]1[NH+]=c2ccccc2=C1C[NH2+]C[*:1]
O=C([O-])[C@H]1[NH+]=c2ccccc2=C1C[NH2+]CCc1ccccc1 O=C([O-])[*:1] c1ccc(cc1)CC[NH2+]CC1=c2ccccc2=[NH+][C@@H]1[*:1]
O=C([O-])[C@H]1[NH+]=c2ccccc2=C1C[NH2+]CCc1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H]1[NH+]=c2ccccc2=C1C[NH2+]CC[*:1]
C[C@@H]1Cc2cc(C(=O)CSc3nc(N)cc(=O)[nH]3)ccc2N1S(C)(=O)=O Nc1cc(=O)[nH]c(n1)[*:1] C[C@@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)CS[*:1]
CC[S@](=O)CC(=O)Nc1cc(C)cc(C)c1 CC[S@](=O)C[*:1] Cc1cc(C)cc(c1)NC(=O)[*:1]
Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 Cc1ccccc1[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)NC(=O)[*:1]
C=CCn1c(C2CC2)nnc1[S@](=O)Cc1ccc(OC)c(F)c1 C1CC1[*:1] C=CCn1c(nnc1[*:1])[S@](=O)Cc1ccc(OC)c(F)c1
C=CCn1c(C2CC2)nnc1[S@](=O)Cc1ccc(OC)c(F)c1 C=CC[*:1] COc1ccc(cc1F)C[S@@](=O)c1nnc(C2CC2)n1[*:1]
O=C1C[C@@H](c2ccccc2)N(CCOc2ccc(Cl)cc2Cl)CCN1 c1ccc(cc1)[*:1] O=C1C[C@@H](N(CCN1)CCOc1ccc(Cl)cc1Cl)[*:1]
O=C1C[C@@H](c2ccccc2)N(CCOc2ccc(Cl)cc2Cl)CCN1 Clc1ccc(c(Cl)c1)[*:1] O=C1C[C@@H](c2ccccc2)N(CCN1)CCO[*:1]
CS(=O)(=O)c1ccc(-n2nnnc2C[S@@](=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] CS(=O)(=O)c1ccc(cc1)-n1nnnc1C[S@@](=O)[*:1]
CS(=O)(=O)c1ccc(-n2nnnc2C[S@@](=O)C2CCCCC2)cc1 CS(=O)(=O)[*:1] O=[S@](Cc1nnnn1-c1ccc(cc1)[*:1])C1CCCCC1
Cc1nc(=O)[nH]c(C)c1CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] Cc1nc(=O)[nH]c(C)c1CC(=O)N1CC[C@H]([C@@H]1C)[*:1]
O=C(NCc1cccs1)c1ccc(COc2cc(Cl)ccc2Cl)o1 c1csc(c1)C[*:1] O=C(N[*:1])c1ccc(COc2cc(Cl)ccc2Cl)o1
O=C(NCc1cccs1)c1ccc(COc2cc(Cl)ccc2Cl)o1 Clc1ccc(Cl)c(c1)[*:1] O=C(NCc1cccs1)c1ccc(CO[*:1])o1
O=C(NCc1cccs1)c1ccc(COc2cc(Cl)ccc2Cl)o1 c1csc(c1)[*:1] O=C(NC[*:1])c1ccc(COc2cc(Cl)ccc2Cl)o1
CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)C1=O Clc1ccc(s1)[*:1] CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H](C)[*:1])C1=O
CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)C1=O CC(C)[*:1] C[C@H](C(=O)N[C@@H]1CC(=O)N(C1=O)[*:1])c1ccc(Cl)s1
C[C@@H](O)CNC(=O)CN1CCN(c2ccccc2F)C1=O C[C@@H](O)C[*:1] O=C(CN1CCN(C1=O)c1ccccc1F)N[*:1]
C[C@@H](O)CNC(=O)CN1CCN(c2ccccc2F)C1=O C[C@@H](O)CNC(=O)[*:1] O=C1N(CCN1c1ccccc1F)C[*:1]
C[C@@H](O)CNC(=O)CN1CCN(c2ccccc2F)C1=O C[C@@H](O)[*:1] O=C(CN1CCN(C1=O)c1ccccc1F)NC[*:1]
C[C@@H](O)CNC(=O)CN1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] C[C@@H](O)CNC(=O)CN1CCN(C1=O)[*:1]
COc1cccc(NC(=O)CN(C)C(=O)CN2CCc3ccccc32)c1 COc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)CN1CCc2ccccc21
O=C(NCCNC(=O)c1ccccc1F)NC[C@@H]1CCC[C@H]1O Fc1ccccc1[*:1] O=C(NCCNC(=O)[*:1])NC[C@@H]1CCC[C@H]1O
Cc1csc(CCNc2ncnc3sc4c(c23)CC[C@@H](C)C4)n1 Cc1csc(n1)[*:1] C[C@@H]1CCc2c(C1)sc1ncnc(NCC[*:1])c21
Cc1csc(CCNc2ncnc3sc4c(c23)CC[C@@H](C)C4)n1 Cc1csc(C[*:1])n1 C[C@@H]1CCc2c(C1)sc1ncnc(NC[*:1])c21
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3[n+](C)c2N)cc1 Cc1ccc(cc1)[*:1] C[n+]1c(N)c(cc2c(=O)n3ccccc3nc21)S(=O)(=O)[*:1]
Cc1cccc(N2C[C@@H](C(=O)NNC(=S)Nc3ccccc3)CC2=O)c1C Cc1cccc(c1C)[*:1] O=C(NNC(=S)Nc1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
Cc1cccc(N2C[C@@H](C(=O)NNC(=S)Nc3ccccc3)CC2=O)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)NNC(=S)N[*:1]
Cc1ccccc1CNC(=O)CNC(=O)c1ccoc1 c1cc(co1)[*:1] Cc1ccccc1CNC(=O)CNC(=O)[*:1]
CC(=O)[C@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 CC(=O)[*:1] O=C(c1ccccc1)[C@@H]1[C@@H](N2c3ccc(Cl)cc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12)[*:1]
CC(=O)[C@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 O=C(c1ccccc1)[*:1] CC(=O)[C@H]1[C@@H]([C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12)[*:1]
CC(=O)[C@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 c1ccc(cc1)[*:1] CC(=O)[C@H]1[C@@H](C(=O)[*:1])[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12
CC(C)[C@@H](CCO)NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[C@@H](CCO)NC(=O)N[C@@H](C)c1cccc(c1)[*:1]
CC(C)[C@@H](CCO)NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 CC(C)[C@@H](CCO)[*:1] C[C@H](NC(=O)N[*:1])c1cccc(c1)C(F)(F)F
CC(C)[C@@H](CCO)NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 CC(C)[*:1] C[C@H](NC(=O)N[C@H](CCO)[*:1])c1cccc(c1)C(F)(F)F
CC(C)[C@@H](CCO)NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 OCC[*:1] CC(C)[C@@H](NC(=O)N[C@@H](C)c1cccc(c1)C(F)(F)F)[*:1]
CN(C)c1c(Cl)cccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 CN(C)c1c(Cl)cccc1[*:1] O=C(N[*:1])c1cccc(c1)OCc1cn2ccccc2n1
CN(C)c1c(Cl)cccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 c1ccn2cc(C[*:1])nc2c1 CN(C)c1c(Cl)cccc1NC(=O)c1cccc(c1)O[*:1]
CN(C)c1c(Cl)cccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 CN(C)[*:1] O=C(Nc1cccc(Cl)c1[*:1])c1cccc(c1)OCc1cn2ccccc2n1
CN(C)c1c(Cl)cccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 c1ccn2cc(nc2c1)[*:1] CN(C)c1c(Cl)cccc1NC(=O)c1cccc(c1)OC[*:1]
COc1ccc(C(C)=O)cc1CC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] COc1ccc(cc1CC(=O)Nc1ncc(C[*:1])s1)C(C)=O
COc1ccc(C(C)=O)cc1CC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 Clc1cccc(c1)C[*:1] COc1ccc(cc1CC(=O)Nc1ncc(s1)[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 CC(=O)[*:1] COc1ccc(cc1CC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)[*:1]
CN(Cc1ccsc1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 c1cc(cs1)[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1
CN(Cc1ccsc1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 c1cncc(c1)[*:1] CN(Cc1ccsc1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1[*:1]
CN(Cc1ccsc1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 c1cc(cs1)C[*:1] CN1C(=O)C[C@H](C(=O)N(C)[*:1])[C@@H]1c1cccnc1
CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)Cc2ccc(Cl)cc2)C3)cc1 CS(=O)(=O)[*:1] O=C(Cc1ccc(Cl)cc1)NC[C@H]1Cc2cccc(-c3ccc(cc3)[*:1])c2O1
CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)Cc2ccc(Cl)cc2)C3)cc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)-c1cccc2C[C@H](CNC(=O)C[*:1])Oc21
CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)Cc2ccc(Cl)cc2)C3)cc1 Clc1ccc(cc1)C[*:1] CS(=O)(=O)c1ccc(cc1)-c1cccc2C[C@H](CNC(=O)[*:1])Oc21
CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)Cc2ccc(Cl)cc2)C3)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=C(Cc1ccc(Cl)cc1)NC[C@H]1Cc2cccc(c2O1)[*:1]
CCOc1cc(F)ccc1NC(=O)NCc1ccc([S@@](C)=O)cc1 CCO[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)Nc1ccc(F)cc1[*:1]
Cc1ncsc1CNC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 Cc1ncsc1C[*:1] C[C@@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)N[*:1]
Cc1ncsc1CNC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] Cc1ncsc1CNC(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
Cc1ncsc1CNC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 Cc1ncsc1[*:1] C[C@@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)NC[*:1]
CNc1c(C(=O)NCc2ccco2)cccc1C(F)(F)F FC(F)(F)[*:1] CNc1c(cccc1[*:1])C(=O)NCc1ccco1
CNc1c(C(=O)NCc2ccco2)cccc1C(F)(F)F c1coc(c1)[*:1] CNc1c(cccc1C(F)(F)F)C(=O)NC[*:1]
CNc1c(C(=O)NCc2ccco2)cccc1C(F)(F)F c1coc(c1)C[*:1] CNc1c(cccc1C(F)(F)F)C(=O)N[*:1]
CC[C@@H](C#N)OC(=O)c1sc2cccc(F)c2c1COC COC[*:1] CC[C@@H](C#N)OC(=O)c1sc2cccc(F)c2c1[*:1]
O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)-c1ccccc1C2=O O=C([O-])[*:1] O=C(C=C[*:1])Nc1ccc2C(=O)c3ccccc3-c2c1
COc1ccccc1-n1cc(C(=O)N2CCOc3ccc([C@H](O)C4CCCCC4)cc3C2)cn1 C1CCC(CC1)[*:1] COc1ccccc1-n1cc(cn1)C(=O)N1CCOc2ccc(cc2C1)[C@H](O)[*:1]
COc1ccccc1-n1cc(C(=O)N2CCOc3ccc([C@H](O)C4CCCCC4)cc3C2)cn1 COc1ccccc1[*:1] O=C(c1cnn(c1)[*:1])N1CCOc2ccc(cc2C1)[C@H](O)C1CCCCC1
CSC[C@@H](C)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 CSC[C@@H](C)[*:1] CN1C(=O)C[C@H](NC(=O)[*:1])[C@H]1c1ccc(Cl)cc1
CSC[C@@H](C)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 CSC[*:1] C[C@@H](C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)[*:1]
CSC[C@@H](C)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CSC[C@@H](C)C(=O)N[C@H]1CC(=O)N(C)[C@H]1[*:1]
Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)c1ccccc1C#N O=[N+]([O-])[*:1] Cc1nc(cn1CC(=O)N(C)c1ccccc1C#N)[*:1]
CN1CC[C@@H](C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CC1=O Clc1ccc(cc1)[*:1] CN1CC[C@H](CC1=O)C(=O)N1CCC[C@@H]1[*:1]
C[C@@H](/C=N/n1cnc2c([nH]c3ccc(F)cc32)c1=O)Cc1ccc(C(C)(C)C)cc1 CC(C)(C)c1ccc(cc1)[*:1] C[C@@H](/C=N/n1cnc2c([nH]c3ccc(F)cc32)c1=O)C[*:1]
C[C@@H](/C=N/n1cnc2c([nH]c3ccc(F)cc32)c1=O)Cc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@@H](/C=N/n1cnc2c([nH]c3ccc(F)cc32)c1=O)Cc1ccc(cc1)[*:1]
COc1ccc(C(C)=O)cc1COC(=O)c1cccc(C)c1C CC(=O)[*:1] COc1ccc(cc1COC(=O)c1cccc(C)c1C)[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC[NH+](C(C)C)C3CC3)ccc21 CC(C)[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)NCC[NH+](C1CC1)[*:1]
Cc1cc(CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])no1 Cc1cc(CN(C)[*:1])no1 O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1
Cc1cc(CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])no1 O=[N+]([O-])[*:1] Cc1cc(CN(C)c2ccc(cc2[*:1])S(=O)(=O)N2CCOCC2)no1
Cc1cc(CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])no1 Cc1cc(no1)[*:1] CN(C[*:1])c1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCOCC1
Cc1cc(CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])no1 Cc1cc(C[*:1])no1 CN(c1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCOCC1)[*:1]
Cc1cc(CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])no1 O=S(=O)(N1CCOCC1)[*:1] Cc1cc(CN(C)c2ccc(cc2[N+](=O)[O-])[*:1])no1
Cc1cccc(Oc2ccc(NC(=O)N(C)[C@@H](C)CC#N)cc2)c1 Cc1cccc(c1)[*:1] C[C@@H](CC#N)N(C)C(=O)Nc1ccc(cc1)O[*:1]
Cc1cccc(Oc2ccc(NC(=O)N(C)[C@@H](C)CC#N)cc2)c1 N#CC[*:1] Cc1cccc(c1)Oc1ccc(cc1)NC(=O)N(C)[C@@H](C)[*:1]
Cc1cccc(Oc2ccc(NC(=O)N(C)[C@@H](C)CC#N)cc2)c1 Cc1cccc(c1)O[*:1] C[C@@H](CC#N)N(C)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 Cc1cccc(c1)[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[*:1]
COc1ccc2c(c1)=[NH+][C@H](C(=O)N1CCC(CC(=O)NCc3cccnc3)CC1)C=2 O=C(NCc1cccnc1)[*:1] COc1ccc2=C[C@H]([NH+]=c2c1)C(=O)N1CCC(CC1)C[*:1]
COc1ccc2c(c1)=[NH+][C@H](C(=O)N1CCC(CC(=O)NCc3cccnc3)CC1)C=2 c1cncc(c1)C[*:1] COc1ccc2=C[C@H]([NH+]=c2c1)C(=O)N1CCC(CC1)CC(=O)N[*:1]
COc1ccc2c(c1)=[NH+][C@H](C(=O)N1CCC(CC(=O)NCc3cccnc3)CC1)C=2 c1cncc(c1)[*:1] COc1ccc2=C[C@H]([NH+]=c2c1)C(=O)N1CCC(CC1)CC(=O)NC[*:1]
CCOC(=O)C1(N(C)C2CCN(C(=O)CC)CC2)CCCCC1 CCOC(=O)[*:1] CCC(=O)N1CCC(CC1)N(C)C1(CCCCC1)[*:1]
Cc1c(C(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc2CCN(Cc2c1)C(=O)c1cccs1
Cc1c(C(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cnn1-c1ccccc1 c1csc(c1)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)Nc1ccc2CCN(Cc2c1)C(=O)[*:1]
CCn1nc(C)cc1C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C Cc1ccccc1[*:1] CCn1nc(C)cc1C(=O)N1C[C@@H](C[C@H]1C)[*:1]
C[C@H](CCc1ccccc1)CC(=O)N1CC[S@](=O)C(C)(C)C1 c1ccc(cc1)C[*:1] C[C@@H](CC(=O)N1CC[S@](=O)C(C)(C)C1)C[*:1]
C[C@H](CCc1ccccc1)CC(=O)N1CC[S@](=O)C(C)(C)C1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])CC(=O)N1CC[S@](=O)C(C)(C)C1
Cc1oc(-c2ccccc2)nc1CC(=O)N(CCC(F)(F)F)C1CCC1 c1ccc(cc1)[*:1] Cc1oc(nc1CC(=O)N(CCC(F)(F)F)C1CCC1)[*:1]
Cc1oc(-c2ccccc2)nc1CC(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] Cc1oc(nc1CC(=O)N(C1CCC1)[*:1])-c1ccccc1
Cc1oc(-c2ccccc2)nc1CC(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] Cc1oc(nc1CC(=O)N(C[*:1])C1CCC1)-c1ccccc1
Cc1oc(-c2ccccc2)nc1CC(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] Cc1oc(nc1CC(=O)N(CC[*:1])C1CCC1)-c1ccccc1
Cc1oc(-c2ccccc2)nc1CC(=O)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] Cc1oc(nc1CC(=O)N(CCC(F)(F)F)[*:1])-c1ccccc1
CCN(CC(=O)NC)S(=O)(=O)c1ncn(C)c1Cl CNC(=O)[*:1] CCN(C[*:1])S(=O)(=O)c1ncn(C)c1Cl
CCN(CC(=O)NC)S(=O)(=O)c1ncn(C)c1Cl CNC(=O)C[*:1] CCN(S(=O)(=O)c1ncn(C)c1Cl)[*:1]
O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCSc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCS[*:1]
O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCSc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)NCC[*:1]
CCOCCN(C)C(=O)c1cnn(Cc2ccccc2)c1 CCOC[*:1] CN(C[*:1])C(=O)c1cnn(c1)Cc1ccccc1
CCOCCN(C)C(=O)c1cnn(Cc2ccccc2)c1 CCOCC[*:1] CN(C(=O)c1cnn(c1)Cc1ccccc1)[*:1]
CCOCCN(C)C(=O)c1cnn(Cc2ccccc2)c1 CCO[*:1] CN(CC[*:1])C(=O)c1cnn(c1)Cc1ccccc1
CCOCCN(C)C(=O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CCOCCN(C)C(=O)c1cnn(c1)[*:1]
CCOCCN(C)C(=O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] CCOCCN(C)C(=O)c1cnn(c1)C[*:1]
CO[C@@]1(C)C[C@@H](NC(=O)Cc2cc(C)on2)C1(C)C Cc1cc(no1)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)C[*:1])C1(C)C
C=CCn1c(SCC(=O)NC(C)C)nc2sc(-c3ccccc3)cc2c1=O CC(C)[*:1] C=CCn1c(nc2sc(cc2c1=O)-c1ccccc1)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)NC(C)C)nc2sc(-c3ccccc3)cc2c1=O CC(C)NC(=O)[*:1] C=CCn1c(nc2sc(cc2c1=O)-c1ccccc1)SC[*:1]
C=CCn1c(SCC(=O)NC(C)C)nc2sc(-c3ccccc3)cc2c1=O CC(C)NC(=O)CS[*:1] C=CCn1c(nc2sc(cc2c1=O)-c1ccccc1)[*:1]
C=CCn1c(SCC(=O)NC(C)C)nc2sc(-c3ccccc3)cc2c1=O c1ccc(cc1)[*:1] C=CCn1c(nc2sc(cc2c1=O)[*:1])SCC(=O)NC(C)C
C=CCn1c(SCC(=O)NC(C)C)nc2sc(-c3ccccc3)cc2c1=O CC(C)NC(=O)C[*:1] C=CCn1c(nc2sc(cc2c1=O)-c1ccccc1)S[*:1]
C=CCn1c(SCC(=O)NC(C)C)nc2sc(-c3ccccc3)cc2c1=O C=CC[*:1] CC(C)NC(=O)CSc1nc2sc(cc2c(=O)n1[*:1])-c1ccccc1
COc1ccccc1CC1CCN(Cn2nc(N(C)C)sc2=S)CC1 CN(C)[*:1] COc1ccccc1CC1CCN(CC1)Cn1nc(sc1=S)[*:1]
COc1ccccc1CC1CCN(Cn2nc(N(C)C)sc2=S)CC1 COc1ccccc1[*:1] CN(C)c1nn(CN2CCC(CC2)C[*:1])c(=S)s1
CC[NH2+][C@H](CC1CC1)[C@@](C)(CC)N(C)C C1CC1C[*:1] CC[NH2+][C@H]([C@@](C)(CC)N(C)C)[*:1]
CC[NH2+][C@H](CC1CC1)[C@@](C)(CC)N(C)C C1CC1[*:1] CC[NH2+][C@H](C[*:1])[C@@](C)(CC)N(C)C
CC[NH2+][C@H](CC1CC1)[C@@](C)(CC)N(C)C CN(C)[*:1] CC[NH2+][C@H](CC1CC1)[C@@](C)(CC)[*:1]
O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 c1csc(c1)[*:1] O=C(NC[C@@H](N1CCc2ccccc21)[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 c1ccc2c(c1)CCN2[*:1] O=C(NC[C@@H](c1cccs1)[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)c(c1)[*:1]
Cc1cccc(C2(O)CCN(C(=O)c3nn4c(C)cc(C)nc4c3Cl)CC2)c1 Cc1cccc(c1)[*:1] Cc1cc(C)n2nc(C(=O)N3CCC(O)(CC3)[*:1])c(Cl)c2n1
N#Cc1nc(-c2ccccc2)c(-c2ccccc2)nc1Cl c1ccc(cc1)[*:1] N#Cc1nc(-c2ccccc2)c(nc1Cl)[*:1]
N#Cc1nc(-c2ccccc2)c(-c2ccccc2)nc1Cl c1ccc(cc1)[*:1] N#Cc1nc(c(nc1Cl)-c1ccccc1)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[C@@H](O)CC(C)(C)CNC(=O)N1CCN(CC1)c1ccccc1[*:1]
Cc1nc2n(c(=O)c1C)[C@H](CC(=O)Nc1ccccc1)CS2 c1ccc(cc1)[*:1] Cc1nc2SC[C@@H](CC(=O)N[*:1])n2c(=O)c1C
CNC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ccccc2O1 CNC(=O)[*:1] O=C1C[C@@H](CN1c1ccc2OCCOc2c1)C(=O)N1C[C@H](Oc2ccccc21)[*:1]
CNC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ccccc2O1 c1cc2OCCOc2cc1[*:1] CNC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C2)[*:1])c2ccccc2O1
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(C#N)cn2C)cc1C Cc1ccc(cc1C)[*:1] Cn1cc(C#N)cc1C(=O)N1CSC[C@H]1C(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(C#N)cn2C)cc1C Cn1cc(C#N)cc1[*:1] Cc1ccc(cc1C)NC(=O)[C@@H]1CSCN1C(=O)[*:1]
CN(C(=O)CSc1nc2scc(C3CC3)c2c(=O)n1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] CN(C(=O)CSc1nc2scc(c2c(=O)n1C1CCCCC1)[*:1])[C@H]1CCS(=O)(=O)C1
CN(C(=O)CSc1nc2scc(C3CC3)c2c(=O)n1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 C1CCC(CC1)[*:1] CN(C(=O)CSc1nc2scc(c2c(=O)n1[*:1])C1CC1)[C@H]1CCS(=O)(=O)C1
O=C([O-])CC1(NC(=O)Cc2ccc(F)cc2F)CCCC1 O=C([O-])[*:1] O=C(Cc1ccc(F)cc1F)NC1(CCCC1)C[*:1]
O=C([O-])CC1(NC(=O)Cc2ccc(F)cc2F)CCCC1 O=C([O-])C[*:1] O=C(Cc1ccc(F)cc1F)NC1(CCCC1)[*:1]
CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)C(C)C)CCO1 CCNC(=O)[*:1] CC(C)C(=O)N1CCO[C@](Cc2ccc(cc2)-c2ccncc2)(C1)[*:1]
CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)C(C)C)CCO1 c1cc(ccn1)[*:1] CCNC(=O)[C@]1(Cc2ccc(cc2)[*:1])CN(CCO1)C(=O)C(C)C
CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)C(C)C)CCO1 CC(C)[*:1] CCNC(=O)[C@]1(Cc2ccc(cc2)-c2ccncc2)CN(CCO1)C(=O)[*:1]
Cc1ccc(CN(Cc2ccncc2)C(=S)Nc2ccc(Cl)cc2C)cc1 Cc1cc(Cl)ccc1[*:1] Cc1ccc(cc1)CN(Cc1ccncc1)C(=S)N[*:1]
Cc1ccc(CN(Cc2ccncc2)C(=S)Nc2ccc(Cl)cc2C)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)CN(C[*:1])C(=S)Nc1ccc(Cl)cc1C
Cc1ccc(CN(Cc2ccncc2)C(=S)Nc2ccc(Cl)cc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(Cl)ccc1NC(=S)N(Cc1ccncc1)C[*:1]
Cc1ccc(CN(Cc2ccncc2)C(=S)Nc2ccc(Cl)cc2C)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(Cl)ccc1NC(=S)N(Cc1ccncc1)[*:1]
Cc1ccc(CN(Cc2ccncc2)C(=S)Nc2ccc(Cl)cc2C)cc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1)CN(C(=S)Nc1ccc(Cl)cc1C)[*:1]
CNC(=O)c1ccc2c(c1)CCN2C(=O)C(C)C CNC(=O)[*:1] CC(C)C(=O)N1CCc2cc(ccc21)[*:1]
CNC(=O)c1ccc2c(c1)CCN2C(=O)C(C)C CC(C)[*:1] CNC(=O)c1ccc2c(c1)CCN2C(=O)[*:1]
CCn1cc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cn1 CCn1cc(cn1)[*:1] CN(C)c1ncc(-c2ccc(F)cc2)c(n1)[C@H]1CCCN(C1)C[*:1]
CCn1cc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cn1 CCn1cc(cn1)C[*:1] CN(C)c1ncc(-c2ccc(F)cc2)c(n1)[C@H]1CCCN(C1)[*:1]
CCn1cc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cn1 CN(C)[*:1] CCn1cc(cn1)CN1CCC[C@@H](C1)c1nc(ncc1-c1ccc(F)cc1)[*:1]
CCn1cc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cn1 Fc1ccc(cc1)[*:1] CCn1cc(cn1)CN1CCC[C@@H](C1)c1nc(ncc1[*:1])N(C)C
Cc1ccc(C)c(OCc2nnc(SCC(=O)NC3CCCCC3)o2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nnc(CO[*:1])o1)NC1CCCCC1
Cc1ccc(C)c(OCc2nnc(SCC(=O)NC3CCCCC3)o2)c1 C1CCC(CC1)[*:1] Cc1ccc(C)c(c1)OCc1nnc(o1)SCC(=O)N[*:1]
COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc([O-])nn2)cc1OC [O-]c1ccc(nn1)[*:1] COc1ccc(cc1OC)[C@H]1CC(O)=Nc2c1c(C)nn2[*:1]
C[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1cccc(O)c1 Oc1cccc(c1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)C(=O)N[*:1]
C[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1cccc(O)c1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)C(=O)Nc1cccc(O)c1
C[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1cccc(O)c1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1cccc(O)c1
Cc1ccccc1N1C(=O)c2cccc3c(C(=O)[O-])ccc(c23)C1=O O=C([O-])[*:1] Cc1ccccc1N1C(=O)c2cccc3c(ccc(C1=O)c23)[*:1]
Cc1ccccc1N1C(=O)c2cccc3c(C(=O)[O-])ccc(c23)C1=O Cc1ccccc1[*:1] O=C([O-])c1ccc2C(=O)N(C(=O)c3cccc1c32)[*:1]
C[C@@H](NC(=O)N[C@@H]1CCCc2c1cnn2C)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](NC(=O)N[C@@H]1CCCc2c1cnn2C)c1cccc(c1)[*:1]
CC[C@H]1CN(Cc2cnc(C3CCC3)s2)CCS1 C1CC(C1)[*:1] CC[C@H]1CN(CCS1)Cc1cnc(s1)[*:1]
NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCc3ccccc32)cc1 NS(=O)(=O)[*:1] O=S(=O)(N[C@H]1CCc2ccccc21)c1ccc(cc1)[*:1]
CN(CCOCC1CC1)C(=O)NCc1ccccc1Cl C1CC1C[*:1] CN(CCO[*:1])C(=O)NCc1ccccc1Cl
CN(CCOCC1CC1)C(=O)NCc1ccccc1Cl C1CC1[*:1] CN(CCOC[*:1])C(=O)NCc1ccccc1Cl
CN(CCOCC1CC1)C(=O)NCc1ccccc1Cl C1CC1COC[*:1] CN(C[*:1])C(=O)NCc1ccccc1Cl
CN(CCOCC1CC1)C(=O)NCc1ccccc1Cl C1CC1CO[*:1] CN(CC[*:1])C(=O)NCc1ccccc1Cl
C=CCn1c(C)cs/c1=N\c1ccc(C(=O)OCC)cc1 C=CC[*:1] CCOC(=O)c1ccc(cc1)/N=c1\scc(C)n1[*:1]
C=CCn1c(C)cs/c1=N\c1ccc(C(=O)OCC)cc1 CCOC(=O)[*:1] C=CCn1c(C)cs/c1=N\c1ccc(cc1)[*:1]
O=C(CNC(=O)c1ccccc1Cl)N[C@H]1C[C@H]2CCCc3cccc1c32 Clc1ccccc1[*:1] O=C(CNC(=O)[*:1])N[C@H]1C[C@H]2CCCc3cccc1c32
CCc1nn(C)cc1NC(=O)C(=O)NCc1cccc(-c2nc[nH]n2)c1 CCc1nn(C)cc1[*:1] O=C(NCc1cccc(c1)-c1nc[nH]n1)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)C(=O)NCc1cccc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] CCc1nn(C)cc1NC(=O)C(=O)NCc1cccc(c1)[*:1]
Cc1csc([C@@H](C)NC(=O)Nc2c(C)cccc2C)n1 Cc1csc(n1)[*:1] Cc1cccc(C)c1NC(=O)N[C@H](C)[*:1]
C[C@H](SCc1ccccc1)C(=O)Nc1nc2ccc(F)cn2n1 c1ccc(cc1)[*:1] C[C@H](SC[*:1])C(=O)Nc1nc2ccc(F)cn2n1
C[C@H](SCc1ccccc1)C(=O)Nc1nc2ccc(F)cn2n1 c1ccc(cc1)C[*:1] C[C@H](S[*:1])C(=O)Nc1nc2ccc(F)cn2n1
C=C(C)C[C@H]([NH3+])Cc1cc(F)cc(F)c1 C=C(C)[*:1] [NH3+][C@H](Cc1cc(F)cc(F)c1)C[*:1]
C=C(C)C[C@H]([NH3+])Cc1cc(F)cc(F)c1 C=C(C)C[*:1] [NH3+][C@H](Cc1cc(F)cc(F)c1)[*:1]
COC(=O)c1ccccc1NC(=O)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])N1CCC(CC1)N1CCN(Cc2cccc(F)c2)C(=O)C1=O
COC(=O)c1ccccc1NC(=O)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1 COC(=O)c1ccccc1[*:1] O=C(N[*:1])N1CCC(CC1)N1CCN(Cc2cccc(F)c2)C(=O)C1=O
COC(=O)c1ccccc1NC(=O)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1 Fc1cccc(c1)C[*:1] COC(=O)c1ccccc1NC(=O)N1CCC(CC1)N1CCN(C(=O)C1=O)[*:1]
COC(=O)c1ccccc1NC(=O)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1 Fc1cccc(c1)[*:1] COC(=O)c1ccccc1NC(=O)N1CCC(CC1)N1CCN(C[*:1])C(=O)C1=O
O=C(NCc1cscn1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 c1nc(cs1)[*:1] O=C(NC[*:1])C(=O)Nc1cccc(c1)NC(=O)C1CC1
O=C(NCc1cscn1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] O=C(NCc1cscn1)C(=O)Nc1cccc(c1)NC(=O)[*:1]
O=C(NCc1cscn1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 c1nc(cs1)C[*:1] O=C(Nc1cccc(c1)NC(=O)C1CC1)C(=O)N[*:1]
O=C(NCc1cscn1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 O=C(NCc1cscn1)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](CCO)CNc1nnnn1C OCC[*:1] CC[C@H](CNc1nnnn1C)[*:1]
Cc1occc1C(=O)NC1CCN(CC(=O)Nc2nccs2)CC1 c1csc(n1)[*:1] Cc1occc1C(=O)NC1CCN(CC1)CC(=O)N[*:1]
Cc1occc1C(=O)NC1CCN(CC(=O)Nc2nccs2)CC1 Cc1occc1[*:1] O=C(CN1CCC(CC1)NC(=O)[*:1])Nc1nccs1
Cc1occc1C(=O)NC1CCN(CC(=O)Nc2nccs2)CC1 O=C(Nc1nccs1)[*:1] Cc1occc1C(=O)NC1CCN(CC1)C[*:1]
COCc1cccc(N[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 O=S1(=O)CC[C@H](C1)[*:1] COCc1cccc(c1)N[C@@H](C)C(=O)N(C)[*:1]
COCc1cccc(N[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 COC[*:1] C[C@H](Nc1cccc(c1)[*:1])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1
CC[NH2+][C@@H](C)c1ccccc1OCC1CC1 C1CC1CO[*:1] CC[NH2+][C@@H](C)c1ccccc1[*:1]
CC[NH2+][C@@H](C)c1ccccc1OCC1CC1 C1CC1C[*:1] CC[NH2+][C@@H](C)c1ccccc1O[*:1]
CC[NH2+][C@@H](C)c1ccccc1OCC1CC1 C1CC1[*:1] CC[NH2+][C@@H](C)c1ccccc1OC[*:1]
CS(=O)(=O)c1cccc(C(=O)N(CCC(F)(F)F)C2CCCC2)c1 FC(F)(F)CC[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N(C1CCCC1)[*:1]
CS(=O)(=O)c1cccc(C(=O)N(CCC(F)(F)F)C2CCCC2)c1 C1CCC(C1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N(CCC(F)(F)F)[*:1]
CS(=O)(=O)c1cccc(C(=O)N(CCC(F)(F)F)C2CCCC2)c1 FC(F)(F)C[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N(C[*:1])C1CCCC1
CS(=O)(=O)c1cccc(C(=O)N(CCC(F)(F)F)C2CCCC2)c1 FC(F)(F)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N(CC[*:1])C1CCCC1
CS(=O)(=O)c1cccc(C(=O)N(CCC(F)(F)F)C2CCCC2)c1 CS(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N(CCC(F)(F)F)C1CCCC1
Fc1ccc(OCCSc2nnc(N3CCCC3)s2)cc1 C1CCN(C1)[*:1] Fc1ccc(cc1)OCCSc1nnc(s1)[*:1]
Fc1ccc(OCCSc2nnc(N3CCCC3)s2)cc1 Fc1ccc(cc1)[*:1] C1CCN(C1)c1nnc(SCCO[*:1])s1
CCCCn1/c(=N/C(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 c1cc(ccn1)[*:1] CCCCn1/c(=N/C(=O)[*:1])c(C#N)cc2c(=O)n3cccc(C)c3nc21
CCCCn1/c(=N/C(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 CCC[*:1] Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4ccncc4)n(C[*:1])c3nc12
CCCCn1/c(=N/C(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 CCCC[*:1] Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4ccncc4)n(c3nc12)[*:1]
Fc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 Fc1ccccc1[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)N1CCN(CC1)[*:1]
Fc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 c1ccc(cc1)[*:1] Fc1ccccc1N1CCN(CC1)c1ncnc2c1cnn2[*:1]
CC(C)C(=O)NCc1noc(-c2ccco2)n1 CC(C)[*:1] O=C(NCc1noc(n1)-c1ccco1)[*:1]
CC(C)C(=O)NCc1noc(-c2ccco2)n1 c1coc(c1)[*:1] CC(C)C(=O)NCc1noc(n1)[*:1]
CC(C)(O)CNC(=O)C1(C)CCCC1 CC(C)(O)[*:1] CC1(CCCC1)C(=O)NC[*:1]
CCOCCSc1nc2ccsc2c(=O)n1CC CCOCCS[*:1] CCn1c(nc2ccsc2c1=O)[*:1]
CCOCCSc1nc2ccsc2c(=O)n1CC CCO[*:1] CCn1c(nc2ccsc2c1=O)SCC[*:1]
CCOCCSc1nc2ccsc2c(=O)n1CC CCOCC[*:1] CCn1c(nc2ccsc2c1=O)S[*:1]
CCOCCSc1nc2ccsc2c(=O)n1CC CCOC[*:1] CCn1c(nc2ccsc2c1=O)SC[*:1]
CCc1ccc(O[C@H](C)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 CCc1ccc(cc1)O[*:1] C[C@H](C(=O)NNC(=O)Cn1ccc2ccccc21)[*:1]
CCc1ccc(O[C@H](C)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 c1ccc2c(c1)ccn2[*:1] CCc1ccc(cc1)O[C@H](C)C(=O)NNC(=O)C[*:1]
CCc1ccc(O[C@H](C)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1 CCc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)Cn1ccc2ccccc21
COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1F COCC[*:1] O=C(Nc1cc(ccc1O[*:1])C(F)(F)F)c1ccc(F)cc1F
COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1F COCCO[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)c1ccc(F)cc1F
COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1F FC(F)(F)[*:1] COCCOc1ccc(cc1NC(=O)c1ccc(F)cc1F)[*:1]
COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COCCOc1ccc(cc1NC(=O)[*:1])C(F)(F)F
COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1F COC[*:1] O=C(Nc1cc(ccc1OC[*:1])C(F)(F)F)c1ccc(F)cc1F
CCc1ccc(N[C@H]2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])N[C@H]1CC[C@H]([NH3+])C1
C[C@@H](OC(=O)Cc1csc(N2CCNC2=O)n1)c1nccs1 c1csc(n1)[*:1] C[C@@H](OC(=O)Cc1csc(n1)N1CCNC1=O)[*:1]
C[C@@H](OC(=O)Cc1csc(N2CCNC2=O)n1)c1nccs1 O=C1NCCN1[*:1] C[C@@H](OC(=O)Cc1csc(n1)[*:1])c1nccs1
C[C@@H](OC(=O)Cc1csc(N2CCNC2=O)n1)c1nccs1 C[C@@H](c1nccs1)[*:1] O=C(Cc1csc(n1)N1CCNC1=O)O[*:1]
Cc1nn(C2CCCCC2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SCC(O)=N2 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1nn(c2N=C(O)CS[C@H](c12)[*:1])C1CCCCC1
Cc1nn(C2CCCCC2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SCC(O)=N2 O=[N+]([O-])[*:1] Cc1nn(c2N=C(O)CS[C@H](c3ccc(cc3)[*:1])c12)C1CCCCC1
Cc1nn(C2CCCCC2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SCC(O)=N2 C1CCC(CC1)[*:1] Cc1nn(c2N=C(O)CS[C@H](c3ccc(cc3)[N+](=O)[O-])c12)[*:1]
CCC(CC)(NC(=O)c1ccc(N)c(F)c1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)c1ccc(N)c(F)c1)[*:1]
C[C@H](NC(=O)CCc1ccccc1)c1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C c1ccc(cc1)C[*:1] C[C@H](NC(=O)C[*:1])c1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C
C[C@H](NC(=O)CCc1ccccc1)c1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C c1ccc(cc1)[*:1] C[C@H](NC(=O)CC[*:1])c1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C
C[C@H](NC(=O)CCc1ccccc1)c1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C c1ccc(cc1)CC[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C
Cc1cccc(C)c1OCCC[NH2+]C1(C(N)=O)CCCCC1 NC(=O)[*:1] Cc1cccc(C)c1OCCC[NH2+]C1(CCCCC1)[*:1]
COC(C)(C)C[C@H](C)Nc1cccc(F)n1 COC(C)(C)[*:1] C[C@@H](C[*:1])Nc1cccc(F)n1
CC(C)N1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 CC(C)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)N1CCN(CC1)[*:1]
CNc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])[C@@H]1Nc2ccccc2C(=O)N1C
CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c1 CC(=O)[*:1] C[C@H](NS(=O)(=O)c1cccc(c1)[*:1])c1ccccc1C(F)(F)F
CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N[C@@H](C)c1ccccc1[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ncnn1C Cn1ncnc1C[*:1] COc1ccc(cc1C(=O)N(C)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ncnn1C O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)N(C)Cc1ncnn1C)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ncnn1C Cn1ncnc1[*:1] COc1ccc(cc1C(=O)N(C)C[*:1])[N+](=O)[O-]
Cc1cc(C)c2c(N[C@@H](c3[nH+]ccn3C)C3CC3)ncnc2n1 C1CC1[*:1] Cc1cc(C)c2c(ncnc2n1)N[C@@H](c1[nH+]ccn1C)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)N1CCN(CC1)[C@@H](C#N)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 CCC[*:1] N#C[C@@H](c1ccccc1)N1CCN(CC1)C(=O)[C@H]1CCCN1C(=O)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 N#C[C@@H](c1ccccc1)[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)N1CCN(CC1)[*:1]
O=C(Cc1ccccc1O)N1CC[C@H](Nc2ccccc2)C1 Oc1ccccc1[*:1] O=C(C[*:1])N1CC[C@@H](C1)Nc1ccccc1
O=C(Cc1ccccc1O)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1O)N1CC[C@@H](C1)N[*:1]
O=C(Cc1ccccc1O)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=C(Cc1ccccc1O)N1CC[C@H](C1)[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccc(CN2CCOCC2)cc1 Cc1n[nH]c(C)c1[*:1] C[C@@H](C[*:1])C(=O)Nc1ccc(cc1)CN1CCOCC1
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccc(CN2CCOCC2)cc1 Cc1n[nH]c(C)c1C[*:1] C[C@H](C(=O)Nc1ccc(cc1)CN1CCOCC1)[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccc(cc1)C[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1noc(C)c1CS(=O)(=O)C[C@H](O)c1ccccc1F Fc1ccccc1[*:1] Cc1noc(C)c1CS(=O)(=O)C[C@H](O)[*:1]
Cc1noc(C)c1CS(=O)(=O)C[C@H](O)c1ccccc1F Cc1noc(C)c1[*:1] O=S(=O)(C[C@H](O)c1ccccc1F)C[*:1]
CCOc1ncccc1C(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] CCOc1ncccc1C(=O)Nc1ccccc1[*:1]
CCOc1ncccc1C(=O)Nc1ccccc1Oc1ccccc1 CCO[*:1] O=C(Nc1ccccc1Oc1ccccc1)c1cccnc1[*:1]
CCOc1ncccc1C(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] CCOc1ncccc1C(=O)Nc1ccccc1O[*:1]
O=C(Nc1cccnn1)NC1(c2ccc(F)cc2F)CCCC1 c1cnnc(c1)[*:1] O=C(NC1(CCCC1)c1ccc(F)cc1F)N[*:1]
CCC[NH2+][C@@H]1[C@@H](C[NH+](CC)CC)C(C)(C)OC1(C)C CCC[*:1] CC[NH+](CC)C[C@@H]1[C@@H]([NH2+][*:1])C(C)(C)OC1(C)C
C[C@H]1C[C@H]1C(=O)N1CCN([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 C[C@H]1C[C@@H]1[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCN(CC1)C(=O)[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 C[C@@H]1CCCC[C@H]1[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(O)cc2)on1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(on1)-c1ccc(O)cc1
O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(O)cc2)on1 Oc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1cc(on1)[*:1]
CC[C@@H](O)c1ccc(OCC(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] CC[C@@H](O)c1ccc(cc1)OCC(=O)N[*:1]
CC[C@@H](O)c1ccc(OCC(=O)NC2CCCCC2)cc1 CC[C@@H](O)[*:1] O=C(COc1ccc(cc1)[*:1])NC1CCCCC1
COc1ccc(Cl)cc1NC(=O)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] COc1ccc(Cl)cc1NC(=O)C(=O)N[*:1]
CNC(=O)c1cccc(OC(=O)c2ccc3nc(C)c(C)nc3c2)c1 CNC(=O)[*:1] Cc1nc2ccc(cc2nc1C)C(=O)Oc1cccc(c1)[*:1]
CCSc1nnc([O-])[nH]c1=O CCS[*:1] O=c1[nH]c([O-])nnc1[*:1]
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)[*:1]
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(C)c(C)c1 CCOC(=O)[*:1] Cc1ccc(cc1C)C(=O)/N=c1/c(cc2c(=O)n3ccccc3nc2n1C)[*:1]
Cc1ccnn1-c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccnn1-c1ccc(cc1)C(=O)N1CCN(CC1)C[*:1]
Cc1ccnn1-c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 Cc1ccnn1[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
Cc1ccnn1-c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 c1cc2OCOc2cc1C[*:1] Cc1ccnn1-c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
CC(=O)c1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 c1ccc(cc1)OCC[*:1] CC(=O)c1cccc(c1)NC(=O)c1ccc(=O)n(n1)[*:1]
CC(=O)c1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 c1ccc(cc1)OC[*:1] CC(=O)c1cccc(c1)NC(=O)c1ccc(=O)n(C[*:1])n1
CC(=O)c1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 CC(=O)c1cccc(c1)[*:1] O=C(N[*:1])c1ccc(=O)n(CCOc2ccccc2)n1
CC(=O)c1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(=O)n(CCOc2ccccc2)n1
CC(=O)c1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 c1ccc(cc1)O[*:1] CC(=O)c1cccc(c1)NC(=O)c1ccc(=O)n(CC[*:1])n1
CC(=O)c1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1ccc(=O)n(CCO[*:1])n1
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(-n2ccnc2C)c(F)c1 CC[C@@H](C)[*:1] Cc1nccn1-c1ccc(cc1F)CNC(=O)N[C@@H](C)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(-n2ccnc2C)c(F)c1 CC[C@@H](C)NC(=O)[*:1] Cc1nccn1-c1ccc(cc1F)CNC(=O)N[C@@H](C)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(-n2ccnc2C)c(F)c1 Cc1nccn1[*:1] CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(c(F)c1)[*:1]
CNC(=O)c1ccc(CNC[C@@H](O)c2ccco2)cc1 c1coc(c1)[*:1] CNC(=O)c1ccc(cc1)CNC[C@@H](O)[*:1]
CNC(=O)c1ccc(CNC[C@@H](O)c2ccco2)cc1 CNC(=O)[*:1] O[C@H](CNCc1ccc(cc1)[*:1])c1ccco1
Cc1sc(NC(=O)[C@H]2CCC(=O)O2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)[C@H]1CCC(=O)O1
COC(=O)Cn1/c(=N\C(=O)Cc2cccs2)sc2c(OC)ccc(OC)c21 COC(=O)[*:1] COc1ccc(OC)c2c1s/c(=N/C(=O)Cc1cccs1)n2C[*:1]
COC(=O)Cn1/c(=N\C(=O)Cc2cccs2)sc2c(OC)ccc(OC)c21 COC(=O)C[*:1] COc1ccc(OC)c2c1s/c(=N/C(=O)Cc1cccs1)n2[*:1]
COC(=O)Cn1/c(=N\C(=O)Cc2cccs2)sc2c(OC)ccc(OC)c21 c1csc(c1)C[*:1] COC(=O)Cn1/c(=N\C(=O)[*:1])sc2c(ccc(OC)c21)OC
COC(=O)Cn1/c(=N\C(=O)Cc2cccs2)sc2c(OC)ccc(OC)c21 c1csc(c1)[*:1] COC(=O)Cn1/c(=N\C(=O)C[*:1])sc2c(ccc(OC)c21)OC
CC[C@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 CC[C@H](C)[*:1] Cc1ccc(cc1Cl)N(CC(=O)N[*:1])S(=O)(=O)c1ccccc1
CC[C@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)[*:1]
CC[C@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 CC[C@H](C)NC(=O)C[*:1] Cc1ccc(cc1Cl)N(S(=O)(=O)c1ccccc1)[*:1]
CC[C@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 Cc1ccc(cc1Cl)[*:1] CC[C@H](C)NC(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
Cn1cccc1[C@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 Cn1cccc1[*:1] O=C1C[C@H](CN1C1CC1)NC(=O)N1CCCC[C@@H]1[*:1]
Cn1cccc1[C@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] Cn1cccc1[C@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
COc1cc(C[NH2+][C@@H](CO)c2ccco2)cc(Cl)c1OC c1coc(c1)[*:1] COc1cc(cc(Cl)c1OC)C[NH2+][C@@H](CO)[*:1]
O=C([O-])C[C@@H]1CN(C[C@H]2CCOC2)CCO1 O=C([O-])[*:1] C1C[C@@H](CO1)CN1CCO[C@@H](C1)C[*:1]
O=C([O-])C[C@@H]1CN(C[C@H]2CCOC2)CCO1 C1C[C@@H](CO1)[*:1] O=C([O-])C[C@@H]1CN(CCO1)C[*:1]
O=C([O-])C[C@@H]1CN(C[C@H]2CCOC2)CCO1 O=C([O-])C[*:1] C1C[C@@H](CO1)CN1CCO[C@@H](C1)[*:1]
CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 Clc1ccccc1[*:1] CNC(=O)c1cccc(c1)NC(=O)N1CCC(CC1)O[*:1]
CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 Clc1ccccc1O[*:1] CNC(=O)c1cccc(c1)NC(=O)N1CCC(CC1)[*:1]
CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 CNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC(CC1)Oc1ccccc1Cl
Cc1cc([N+](=O)[O-])cnc1Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 O=[N+]([O-])[*:1] Cc1cc(cnc1Nc1ccc(cc1)NC(=O)[C@@H]1CCCO1)[*:1]
Cc1cc([N+](=O)[O-])cnc1Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 O=C(N[*:1])[C@@H]1CCCO1 Cc1cc(cnc1Nc1ccc(cc1)[*:1])[N+](=O)[O-]
CC[C@@]1(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC[NH2+]C1 O=[N+]([O-])[*:1] CC[C@]1(CCC[NH2+]C1)C(=O)Nc1ccc(Br)c(c1)[*:1]
Cc1ncsc1C(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 Cc1ncsc1[*:1] O=C(N(C[C@@H]1CCCO1)c1nc(cs1)-c1ccc(Cl)cc1Cl)[*:1]
Cc1ncsc1C(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 Clc1ccc(c(Cl)c1)[*:1] Cc1ncsc1C(=O)N(C[C@@H]1CCCO1)c1nc(cs1)[*:1]
CC(C)Cn1c(N)c(S(=O)(=O)c2cccs2)c2[nH+]c3ccccc3nc21 O=S(=O)(c1cccs1)[*:1] CC(C)Cn1c(N)c(c2[nH+]c3ccccc3nc21)[*:1]
CC(C)Cn1c(N)c(S(=O)(=O)c2cccs2)c2[nH+]c3ccccc3nc21 CC(C)[*:1] Nc1c(c2[nH+]c3ccccc3nc2n1C[*:1])S(=O)(=O)c1cccs1
CC(C)Cn1c(N)c(S(=O)(=O)c2cccs2)c2[nH+]c3ccccc3nc21 c1csc(c1)[*:1] CC(C)Cn1c(N)c(c2[nH+]c3ccccc3nc21)S(=O)(=O)[*:1]
CC(C)Cn1c(N)c(S(=O)(=O)c2cccs2)c2[nH+]c3ccccc3nc21 CC(C)C[*:1] Nc1c(c2[nH+]c3ccccc3nc2n1[*:1])S(=O)(=O)c1cccs1
C[NH+](C)CCN(CC1CCCCC1)C(=O)Cn1cnc2c(oc3ccccc32)c1=O C1CCC(CC1)C[*:1] C[NH+](C)CCN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)[*:1]
C[NH+](C)CCN(CC1CCCCC1)C(=O)Cn1cnc2c(oc3ccccc32)c1=O C1CCC(CC1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Cn1cnc2c(oc3ccccc32)c1=O
CSc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 CSc1ccccc1[*:1] O=C(Cc1csc(n1)NC(=O)Nc1ccccc1)N[*:1]
CSc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 c1ccc(cc1)[*:1] CSc1ccccc1NC(=O)Cc1csc(n1)NC(=O)N[*:1]
O=C(Cc1ccccc1)NNC(=O)c1cccnc1 c1ccc(cc1)[*:1] O=C(C[*:1])NNC(=O)c1cccnc1
O=C(Cc1ccccc1)NNC(=O)c1cccnc1 c1cncc(c1)[*:1] O=C(Cc1ccccc1)NNC(=O)[*:1]
CC1(C)O[C@@H]2O[C@@H](C(=O)N3CCCC[C@@H]3c3cccnc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 c1cncc(c1)[*:1] CC1(C)O[C@@H]2O[C@@H](C(=O)N3CCCC[C@H]3[*:1])[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1
COc1ccc(C(=O)[C@@H]2CCCN(C(=O)Nc3c(C)cccc3C)C2)cc1OC Cc1cccc(C)c1[*:1] COc1ccc(cc1OC)C(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1ccccc1NC(=O)CN(C)C(=O)c1ccco1 c1coc(c1)[*:1] COc1ccccc1NC(=O)CN(C)C(=O)[*:1]
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCOc1ccc2nnc(-c3ccccc3)n2n1 c1ccc(cc1)[*:1] C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCOc1ccc2nnc(n2n1)[*:1]
COC[C@](C)(CCO)NC(=O)Nc1cnc2[nH]nc(C)c2c1 COC[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@](C)(CCO)[*:1]
COC[C@](C)(CCO)NC(=O)Nc1cnc2[nH]nc(C)c2c1 OCC[*:1] COC[C@](C)(NC(=O)Nc1cnc2[nH]nc(C)c2c1)[*:1]
CC(=O)c1cc(C(=O)N2CCC[C@@]3(CC2)CN(C)C(=O)O3)c(=O)[nH]c1C CC(=O)[*:1] Cc1[nH]c(=O)c(cc1[*:1])C(=O)N1CCC[C@@]2(CC1)CN(C)C(=O)O2
CC(C)c1ccccc1OCC(=O)NCc1ccc(Cl)cc1Cl CC(C)[*:1] O=C(COc1ccccc1[*:1])NCc1ccc(Cl)cc1Cl
COc1ncnc(N(C)C)c1NC(=O)[C@H](C)c1ccsc1 CN(C)[*:1] COc1ncnc(c1NC(=O)[C@H](C)c1ccsc1)[*:1]
COc1ncnc(N(C)C)c1NC(=O)[C@H](C)c1ccsc1 c1cc(cs1)[*:1] COc1ncnc(c1NC(=O)[C@H](C)[*:1])N(C)C
COc1ncnc(N(C)C)c1NC(=O)[C@H](C)c1ccsc1 C[C@H](c1ccsc1)[*:1] COc1ncnc(c1NC(=O)[*:1])N(C)C
CC[C@H]1CCC[C@H](NC(=O)NCCCCSC)C1 CSCC[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)NCC[*:1]
CC[C@H]1CCC[C@H](NC(=O)NCCCCSC)C1 CSCCC[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)NC[*:1]
CC[C@H]1CCC[C@H](NC(=O)NCCCCSC)C1 CSC[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)NCCC[*:1]
CC[C@H]1CCC[C@H](NC(=O)NCCCCSC)C1 CSCCCC[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)N[*:1]
CCC(CC)C(=O)NC[C@@H](C)Oc1ccc(C)cc1 CCC(CC)[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)[*:1]
COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)C1(CCCC1)CNC(=O)c1ccc(cc1)[*:1]
COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)cc1OC O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1OC)C1(CCCC1)CNC(=O)[*:1]
c1ccc2sc(N3CC[NH+](Cc4nc(-c5ccc6c(c5)OCO6)no4)CC3)nc2c1 c1ccc2sc(nc2c1)[*:1] c1cc2OCOc2cc1-c1noc(C[NH+]2CCN(CC2)[*:1])n1
c1ccc2sc(N3CC[NH+](Cc4nc(-c5ccc6c(c5)OCO6)no4)CC3)nc2c1 c1cc2OCOc2cc1[*:1] c1ccc2sc(nc2c1)N1CC[NH+](CC1)Cc1nc(no1)[*:1]
CC(C)CC[C@](C)(O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O CC(C)C[*:1] C[C@@](O)(CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C[*:1]
CC(C)CC[C@](C)(O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O CC(C)CC[*:1] C[C@](O)(CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)[*:1]
CC(C)CC[C@](C)(O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O CC(C)[*:1] C[C@](O)(CC[*:1])CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O
C[C@H](C(=O)N1CCc2ccccc21)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)N1CCc2ccccc21)[*:1]
CN(C)c1[nH+]cccc1CNS(=O)(=O)c1cccc(C(=O)[O-])c1 CN(C)[*:1] O=C([O-])c1cccc(c1)S(=O)(=O)NCc1ccc[nH+]c1[*:1]
CN(C)c1[nH+]cccc1CNS(=O)(=O)c1cccc(C(=O)[O-])c1 O=C([O-])[*:1] CN(C)c1[nH+]cccc1CNS(=O)(=O)c1cccc(c1)[*:1]
Cc1nonc1COc1ccccc1C(=O)[O-] O=C([O-])[*:1] Cc1nonc1COc1ccccc1[*:1]
COc1ccccc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] COc1ccccc1C[NH2+]CCc1ccc(cc1)[*:1]
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)c1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])C(=O)Nc1cccc(F)c1
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(N/N=C/c1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
CCOC[C@H]1CCCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)C1 CCO[*:1] Cc1onc(c1C(=O)N1CCC[C@@H](C1)C[*:1])-c1c(Cl)cccc1Cl
CCOC[C@H]1CCCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)C1 Clc1cccc(Cl)c1[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1c(noc1C)[*:1]
CCOC[C@H]1CCCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)C1 CCOC[*:1] Cc1onc(c1C(=O)N1CCC[C@@H](C1)[*:1])-c1c(Cl)cccc1Cl
CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(F)c1 CC(C)(C)[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1cccc(F)c1
CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(F)c1 CC(C)(C)NC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(F)c1
CCOc1ccc(F)c(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1F CCO[*:1] CC(C)(C)[C@H](NC(=O)c1c(F)ccc(c1F)[*:1])C(N)=O
CCOc1ccc(F)c(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1F NC(=O)[*:1] CCOc1ccc(F)c(C(=O)N[C@H](C(C)(C)C)[*:1])c1F
CCOc1ccc(F)c(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1F CC(C)(C)[*:1] CCOc1ccc(F)c(C(=O)N[C@H](C(N)=O)[*:1])c1F
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2OC)c1 c1cncc(c1)C[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccccc1OC)[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2OC)c1 c1cncc(c1)[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccccc1OC
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2OC)c1 COc1cccc(c1)[*:1] COc1ccccc1[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1cccnc1
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2OC)c1 COc1ccccc1[*:1] COc1cccc(c1)C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1[*:1]
COc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2OC)c1 COc1cccc(c1)C(=O)[*:1] COc1ccccc1[C@@H]1C(=C([O-])C(=O)N1Cc1cccnc1)[*:1]
COc1ccc2c(c1)OC[C@H](CNC(=O)CN1CCOC1=O)C2 O=C1OCCN1[*:1] COc1ccc2C[C@@H](CNC(=O)C[*:1])COc2c1
COc1ccc2c(c1)OC[C@H](CNC(=O)CN1CCOC1=O)C2 O=C1OCCN1C[*:1] COc1ccc2C[C@@H](CNC(=O)[*:1])COc2c1
O=C(NCCCOc1ccccc1)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC2)C1 c1ccc(cc1)[*:1] O=C(NCCCO[*:1])[C@H]1C[NH2+]C[C@H](C1)C(=O)N1CCCC1
O=C(NCCCOc1ccccc1)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC2)C1 O=C(N1CCCC1)[*:1] O=C(NCCCOc1ccccc1)[C@H]1C[NH2+]C[C@@H](C1)[*:1]
O=C(NCCCOc1ccccc1)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC2)C1 c1ccc(cc1)OC[*:1] O=C(NCC[*:1])[C@H]1C[NH2+]C[C@H](C1)C(=O)N1CCCC1
O=C(NCCCOc1ccccc1)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC2)C1 c1ccc(cc1)O[*:1] O=C(NCCC[*:1])[C@H]1C[NH2+]C[C@H](C1)C(=O)N1CCCC1
C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCCC(N)=O NC(=O)[*:1] C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCC[*:1]
C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCCC(N)=O NC(=O)CCC[*:1] C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[*:1]
C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCCC(N)=O NC(=O)CC[*:1] C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[*:1]
C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCCC(N)=O NC(=O)C[*:1] C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCC[*:1]
O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1cccc2cccnc12 c1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1cccc2cccnc12
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCO1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CNC(=O)[C@@H]1CCCO1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCO1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)[C@@H]1CCCO1
Cc1nnc(N2CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)c2nn(-c3ccccc3)c(C)c12 c1ccc(cc1)[*:1] Cc1nnc(c2nn(c(C)c12)[*:1])N1CCC[C@@H](C1)C(=O)N1CCN(CC1)c1ccccc1
Cc1nnc(N2CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)c2nn(-c3ccccc3)c(C)c12 c1ccc(cc1)[*:1] Cc1nnc(c2nn(-c3ccccc3)c(C)c12)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)[*:1]
CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cc(C2CCOCC2)[nH]n1 CC(C)[*:1] Cn1nc(c(C(=O)Nc2cc([nH]n2)C2CCOCC2)c1Cl)[*:1]
CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cc(C2CCOCC2)[nH]n1 C1CC(CCO1)[*:1] CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cc([nH]n1)[*:1]
COCCNCc1ccnc(-c2cncc(Br)c2)n1 COCCN[*:1] Brc1cncc(c1)-c1nccc(C[*:1])n1
COCCNCc1ccnc(-c2cncc(Br)c2)n1 COCC[*:1] Brc1cncc(c1)-c1nccc(CN[*:1])n1
COCCNCc1ccnc(-c2cncc(Br)c2)n1 COC[*:1] Brc1cncc(c1)-c1nccc(CNC[*:1])n1
COCCNCc1ccnc(-c2cncc(Br)c2)n1 COCCNC[*:1] Brc1cncc(c1)-c1nccc(n1)[*:1]
CC(C)C[C@H](CO)NC(=O)[C@H](c1c(F)cccc1F)N(C)C CC(C)[*:1] CN(C)[C@H](C(=O)N[C@@H](CO)C[*:1])c1c(F)cccc1F
CC(C)C[C@H](CO)NC(=O)[C@H](c1c(F)cccc1F)N(C)C CC(C)C[C@H](CO)[*:1] CN(C)[C@H](C(=O)N[*:1])c1c(F)cccc1F
CC(C)C[C@H](CO)NC(=O)[C@H](c1c(F)cccc1F)N(C)C CN(C)[*:1] CC(C)C[C@H](CO)NC(=O)[C@H](c1c(F)cccc1F)[*:1]
CC(C)C[C@H](CO)NC(=O)[C@H](c1c(F)cccc1F)N(C)C CC(C)C[*:1] CN(C)[C@H](C(=O)N[C@@H](CO)[*:1])c1c(F)cccc1F
Cc1ccnc2c1nc(CCCl)n2C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ccnc2c1nc(CCCl)n2C[*:1]
Cc1ccnc2c1nc(CCCl)n2C[C@@H]1CCCO1 ClCC[*:1] Cc1ccnc2c1nc(n2C[C@@H]1CCCO1)[*:1]
Cc1ccnc2c1nc(CCCl)n2C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1ccnc2c1nc(CCCl)n2[*:1]
Cc1cc([C@H](NC(=O)[C@@H]2CCC(=O)O2)c2ccccc2Cl)ccc1F Clc1ccccc1[*:1] Cc1cc(ccc1F)[C@H](NC(=O)[C@@H]1CCC(=O)O1)[*:1]
Cc1cc([C@H](NC(=O)[C@@H]2CCC(=O)O2)c2ccccc2Cl)ccc1F Cc1cc(ccc1F)[*:1] O=C1CC[C@H](O1)C(=O)N[C@H](c1ccccc1Cl)[*:1]
CC(C)C[NH2+]C[C@H]1CCO[C@@H]1c1ccc2ccccc2c1 CC(C)[*:1] c1ccc2cc(ccc2c1)[C@H]1OCC[C@@H]1C[NH2+]C[*:1]
CC(C)C[NH2+]C[C@H]1CCO[C@@H]1c1ccc2ccccc2c1 CC(C)C[*:1] c1ccc2cc(ccc2c1)[C@H]1OCC[C@@H]1C[NH2+][*:1]
CCOC(=O)C1=C(COC(=O)c2oc3c(F)cccc3c2C)NC(=O)N[C@H]1C CCOC(=O)[*:1] Cc1c(oc2c(F)cccc12)C(=O)OCC1NC(=O)N[C@@H](C)C=1[*:1]
O=C(CCCc1ccccc1)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 c1ccc(cc1)C[*:1] O=C(CC[*:1])Nc1c(oc2ccccc12)C(=O)Nc1ccc2OCCOc2c1
O=C(CCCc1ccccc1)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 c1cc2OCCOc2cc1[*:1] O=C(CCCc1ccccc1)Nc1c(oc2ccccc12)C(=O)N[*:1]
O=C(CCCc1ccccc1)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 c1ccc(cc1)CCC[*:1] O=C(Nc1ccc2OCCOc2c1)c1oc2ccccc2c1NC(=O)[*:1]
O=C(CCCc1ccccc1)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 c1ccc(cc1)CC[*:1] O=C(C[*:1])Nc1c(oc2ccccc12)C(=O)Nc1ccc2OCCOc2c1
O=C(CCCc1ccccc1)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 c1ccc(cc1)[*:1] O=C(CCC[*:1])Nc1c(oc2ccccc12)C(=O)Nc1ccc2OCCOc2c1
Cc1ccc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1C Cc1ccc(cc1C)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNC(=S)N[*:1]
CC(=O)N[C@H](CC(=O)N1CCSc2ccc(Cl)cc21)c1cccs1 c1csc(c1)[*:1] CC(=O)N[C@H](CC(=O)N1CCSc2ccc(Cl)cc21)[*:1]
CC(=O)N[C@H](CC(=O)N1CCSc2ccc(Cl)cc21)c1cccs1 CC(=O)N[*:1] O=C(C[C@H](c1cccs1)[*:1])N1CCSc2ccc(Cl)cc21
COc1ccc(C2=C(C=O)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C1Oc2ccccc2[C@H](C=1C=O)[*:1]
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)NC(N)=O Clc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1C)[*:1])C(=O)NC(N)=O
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)[*:1]
C[C@@H]1C[C@H](Nc2cccc(N3CCCC3=O)c2)CS1 O=C1CCCN1[*:1] C[C@@H]1C[C@@H](CS1)Nc1cccc(c1)[*:1]
CCCCOc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 CCC[*:1] NNC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)OC[*:1]
CCCCOc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 CCCC[*:1] NNC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)O[*:1]
CCCCOc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 CCCCO[*:1] NNC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)[*:1]
CCCCOc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 NNC(=O)[*:1] CCCCOc1ccc(cc1)-c1cc(c2ccccc2n1)[*:1]
CC[C@H](Sc1nnnn1Cc1ccco1)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@H](Sc1nnnn1Cc1ccco1)C(=O)N[*:1]
CC[C@H](Sc1nnnn1Cc1ccco1)C(=O)Nc1cc(C)on1 c1coc(c1)C[*:1] CC[C@H](Sc1nnnn1[*:1])C(=O)Nc1cc(C)on1
CC[C@H](Sc1nnnn1Cc1ccco1)C(=O)Nc1cc(C)on1 c1coc(c1)[*:1] CC[C@H](Sc1nnnn1C[*:1])C(=O)Nc1cc(C)on1
O=C(NC[C@@H]1CCCO1)c1cn(-c2ccc(I)cc2)nn1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])c1cn(nn1)-c1ccc(I)cc1
O=C(NC[C@@H]1CCCO1)c1cn(-c2ccc(I)cc2)nn1 Ic1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)c1cn(nn1)[*:1]
O=C(NC[C@@H]1CCCO1)c1cn(-c2ccc(I)cc2)nn1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])c1cn(nn1)-c1ccc(I)cc1
C[C@@H](NC(=O)c1ccccc1)C(=O)N(Cc1ccco1)CC(F)(F)F FC(F)(F)[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)N(Cc1ccco1)C[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)N(Cc1ccco1)CC(F)(F)F c1coc(c1)[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)N(CC(F)(F)F)C[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)N(Cc1ccco1)CC(F)(F)F c1coc(c1)C[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)N(CC(F)(F)F)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)N(Cc1ccco1)CC(F)(F)F c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N(Cc1ccco1)CC(F)(F)F
C[C@@H](NC(=O)c1ccccc1)C(=O)N(Cc1ccco1)CC(F)(F)F FC(F)(F)C[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)N(Cc1ccco1)[*:1]
COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CSc1nccn1C1CC1 C1CC1[*:1] COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CSc1nccn1[*:1]
COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CSc1nccn1C1CC1 COC(=O)[*:1] O=C(CSc1nccn1C1CC1)Nc1c(Cl)cc(Cl)cc1[*:1]
COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CSc1nccn1C1CC1 c1cn(c(n1)[*:1])C1CC1 COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CS[*:1]
O=C(OCn1nnc2ccccc2c1=O)c1ccccc1I Ic1ccccc1[*:1] O=C(OCn1nnc2ccccc2c1=O)[*:1]
CSC[C@H](C)N(C)C(=O)NCc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] CSC[C@H](C)N(C)C(=O)NCc1cccc(c1)[*:1]
CSC[C@H](C)N(C)C(=O)NCc1cccc(-n2cccn2)c1 CSC[*:1] C[C@H](N(C)C(=O)NCc1cccc(c1)-n1cccn1)[*:1]
COCCCn1cnnc1SCC(=O)N1CCC[C@@H]2CCCC[C@H]21 COC[*:1] O=C(CSc1nncn1CC[*:1])N1CCC[C@@H]2CCCC[C@H]21
COCCCn1cnnc1SCC(=O)N1CCC[C@@H]2CCCC[C@H]21 COCCC[*:1] O=C(CSc1nncn1[*:1])N1CCC[C@@H]2CCCC[C@H]21
COCCCn1cnnc1SCC(=O)N1CCC[C@@H]2CCCC[C@H]21 COCC[*:1] O=C(CSc1nncn1C[*:1])N1CCC[C@@H]2CCCC[C@H]21
CCC[C@@H]1OC[C@@H](C)[NH2+][C@H]1CC CCC[*:1] CC[C@@H]1[NH2+][C@H](C)CO[C@H]1[*:1]
COc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1C Cc1cccc(C)c1[*:1] COc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)N[*:1])C(=O)N1C
COc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1C COc1ccc(Cl)cc1[*:1] Cc1cccc(C)c1NC(=O)C[C@H]1SC(=N[*:1])N(C)C1=O
CCn1cc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cn1 CCn1cc(cn1)[*:1] O=C(Nc1ccc(cc1)CNC(=O)[*:1])c1cccnc1
CCn1cc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cn1 c1cncc(c1)[*:1] CCn1cc(cn1)C(=O)NCc1ccc(cc1)NC(=O)[*:1]
CN(CCCS(C)(=O)=O)C(=O)CCc1cccc(Br)c1 CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)CCc1cccc(Br)c1
CN(CCCS(C)(=O)=O)C(=O)CCc1cccc(Br)c1 CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)CCc1cccc(Br)c1
CN(CCCS(C)(=O)=O)C(=O)CCc1cccc(Br)c1 CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)CCc1cccc(Br)c1
Cn1c(-c2ccccn2)nn(CCNC(=O)NCc2ccccc2)c1=O c1ccc(nc1)[*:1] Cn1c(nn(CCNC(=O)NCc2ccccc2)c1=O)[*:1]
Cn1c(-c2ccccn2)nn(CCNC(=O)NCc2ccccc2)c1=O c1ccc(cc1)C[*:1] Cn1c(nn(CCNC(=O)N[*:1])c1=O)-c1ccccn1
Cn1c(-c2ccccn2)nn(CCNC(=O)NCc2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1c(nn(CCNC(=O)NC[*:1])c1=O)-c1ccccn1
CCC[C@@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)CCO1 CCC[*:1] O=C(C[C@@H]1OCCc2ccccc21)N1CCO[C@@H](C1)[*:1]
C[C@H](NC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1)c1ccccc1 C1CCC(C1)[*:1] C[C@H](NC(=S)N(Cc1cc2cc3OCCOc3cc2[nH]c1=O)[*:1])c1ccccc1
C[C@H](NC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=S)N(Cc1cc2cc3OCCOc3cc2[nH]c1=O)C1CCCC1)[*:1]
CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@H]2c1ccsc1 CCOC(=O)[*:1] O=C1C[C@H](C2C(=O)[C@@H]([C@@H](CC=2N1)c1cccs1)[*:1])c1ccsc1
CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@H]2c1ccsc1 c1cc(cs1)[*:1] CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@@H]2[*:1]
CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@H]2c1ccsc1 c1csc(c1)[*:1] CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1[*:1])NC(=O)C[C@H]2c1ccsc1
CCOc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(F)cc4)nnc3c2=O)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1ccn2c(nnc2c1=O)SCC(=O)N[*:1]
CCOc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(F)cc4)nnc3c2=O)cc1 CCOc1ccc(cc1)[*:1] O=C(CSc1nnc2c(=O)n(ccn12)[*:1])Nc1ccc(F)cc1
CCOc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(F)cc4)nnc3c2=O)cc1 CCO[*:1] O=C(CSc1nnc2c(=O)n(ccn12)-c1ccc(cc1)[*:1])Nc1ccc(F)cc1
CCOc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(F)cc4)nnc3c2=O)cc1 O=C(Nc1ccc(F)cc1)[*:1] CCOc1ccc(cc1)-n1ccn2c(nnc2c1=O)SC[*:1]
CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCCN(C(C)=O)CC1 CC(C)[*:1] CC[C@@H](Oc1ccccc1[*:1])C(=O)N1CCCN(CC1)C(C)=O
CCOC(=O)[C@@H]1CCCCN1C(=O)N[C@](C)(CC)C(=O)[O-] O=C([O-])[*:1] CCOC(=O)[C@@H]1CCCCN1C(=O)N[C@](C)(CC)[*:1]
CCOC(=O)[C@@H]1CCCCN1C(=O)N[C@](C)(CC)C(=O)[O-] CCOC(=O)[*:1] CC[C@@](C)(NC(=O)N1CCCC[C@H]1[*:1])C(=O)[O-]
CCOc1ccc(N2C(=O)C3=C(c4ccccc4)NN(c4ccccc4)[C@@H]3C2=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)C2=C(NN(c3ccccc3)[C@@H]2C1=O)[*:1]
CCOc1ccc(N2C(=O)C3=C(c4ccccc4)NN(c4ccccc4)[C@@H]3C2=O)cc1 CCOc1ccc(cc1)[*:1] O=C1C2=C(NN(c3ccccc3)[C@@H]2C(=O)N1[*:1])c1ccccc1
CCOc1ccc(N2C(=O)C3=C(c4ccccc4)NN(c4ccccc4)[C@@H]3C2=O)cc1 CCO[*:1] O=C1C2=C(NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc(cc1)[*:1])c1ccccc1
CCOc1ccc(N2C(=O)C3=C(c4ccccc4)NN(c4ccccc4)[C@@H]3C2=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)C2=C(NN([C@@H]2C1=O)[*:1])c1ccccc1
CCOCC1CCN(c2[nH+]ccn(C)c2=O)CC1 CCO[*:1] Cn1cc[nH+]c(c1=O)N1CCC(CC1)C[*:1]
CCOCC1CCN(c2[nH+]ccn(C)c2=O)CC1 CCOC[*:1] Cn1cc[nH+]c(c1=O)N1CCC(CC1)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] Cc1noc(C)c1[C@@H](C)C(=O)Nc1nc(cs1)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)Nc1nc(-c2cccnc2)cs1 Cc1noc(C)c1[*:1] C[C@@H](C(=O)Nc1nc(cs1)-c1cccnc1)[*:1]
O=S(=O)(c1ccccc1)N1CCC([NH+]2CCCCCC2)CC1 c1ccc(cc1)[*:1] O=S(=O)(N1CCC(CC1)[NH+]1CCCCCC1)[*:1]
CCOCc1ccccc1NC(=O)c1cc2ccccc2c(Cl)n1 CCO[*:1] O=C(Nc1ccccc1C[*:1])c1cc2ccccc2c(Cl)n1
CCOCc1ccccc1NC(=O)c1cc2ccccc2c(Cl)n1 CCOC[*:1] O=C(Nc1ccccc1[*:1])c1cc2ccccc2c(Cl)n1
COc1cc(CC(=O)N2CCC(OCc3ccc(F)cc3)CC2)ccc1C Fc1ccc(cc1)[*:1] COc1cc(ccc1C)CC(=O)N1CCC(CC1)OC[*:1]
COc1cc(CC(=O)N2CCC(OCc3ccc(F)cc3)CC2)ccc1C COc1cc(ccc1C)[*:1] O=C(C[*:1])N1CCC(CC1)OCc1ccc(F)cc1
COc1cc(CC(=O)N2CCC(OCc3ccc(F)cc3)CC2)ccc1C Fc1ccc(cc1)C[*:1] COc1cc(ccc1C)CC(=O)N1CCC(CC1)O[*:1]
COc1cc(CC(=O)N2CCC(OCc3ccc(F)cc3)CC2)ccc1C Fc1ccc(cc1)CO[*:1] COc1cc(ccc1C)CC(=O)N1CCC(CC1)[*:1]
CCOC(=O)C(C)(C)NS(=O)(=O)c1ccc(C)cc1C CCOC(=O)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)NC(C)(C)[*:1]
O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)N1CCCC1 FC(F)(F)[*:1] O=C(CSc1nc(cc(=O)[nH]1)[*:1])N1CCCC1
Cc1cc(NC(=O)C[C@H](C)NC(c2cccs2)c2cccs2)no1 c1csc(c1)[*:1] Cc1cc(no1)NC(=O)C[C@H](C)NC(c1cccs1)[*:1]
Cc1cc(NC(=O)C[C@H](C)NC(c2cccs2)c2cccs2)no1 Cc1cc(no1)[*:1] C[C@@H](CC(=O)N[*:1])NC(c1cccs1)c1cccs1
CC[NH+]1CCN(CC2CCN(C(=O)Nc3ccc(OC)c(Cl)c3)CC2)CC1 COc1ccc(cc1Cl)[*:1] CC[NH+]1CCN(CC1)CC1CCN(CC1)C(=O)N[*:1]
N#Cc1ccccc1OCc1ccc(C(=O)Nc2c(F)cccc2F)o1 N#Cc1ccccc1[*:1] O=C(Nc1c(F)cccc1F)c1ccc(CO[*:1])o1
N#Cc1ccccc1OCc1ccc(C(=O)Nc2c(F)cccc2F)o1 Fc1cccc(F)c1[*:1] N#Cc1ccccc1OCc1ccc(o1)C(=O)N[*:1]
Cc1ccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3/N=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1cnc2c(c1=O)c1nc3ccccc3nc1n2N=C[*:1]
Cc1ccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3/N=C/c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=c1c2c3nc4ccccc4nc3n(/N=C/c3ccccc3)c2ncn1[*:1]
CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cc(C)cc(C)c2)cn3C2CC2)CC1 C1CC1[*:1] CC[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2[*:1])C(=O)Nc1cc(C)cc(C)c1
CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cc(C)cc(C)c2)cn3C2CC2)CC1 Cc1cc(C)cc(c1)[*:1] CC[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)N[*:1]
CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cc(C)cc(C)c2)cn3C2CC2)CC1 Cc1cc(C)cc(c1)NC(=O)[*:1] CC[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)[*:1]
C[C@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(cc1)[*:1]
CCO[C@H](C)c1nc(CSc2nncn2-c2ccccc2)cs1 c1ccc(cc1)[*:1] CCO[C@H](C)c1nc(cs1)CSc1nncn1[*:1]
CCO[C@H](C)c1nc(CSc2nncn2-c2ccccc2)cs1 CCO[*:1] C[C@H](c1nc(cs1)CSc1nncn1-c1ccccc1)[*:1]
C[C@@](O)(CNC(=O)CCc1cccs1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@](O)(CNC(=O)CCc1cccs1)C[*:1]
C[C@@](O)(CNC(=O)CCc1cccs1)CN1CCOCC1 c1csc(c1)C[*:1] C[C@@](O)(CNC(=O)C[*:1])CN1CCOCC1
C[C@@](O)(CNC(=O)CCc1cccs1)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@](O)(CNC(=O)CCc1cccs1)[*:1]
C[C@@](O)(CNC(=O)CCc1cccs1)CN1CCOCC1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)CC[*:1])CN1CCOCC1
C[C@@](O)(CNC(=O)CCc1cccs1)CN1CCOCC1 c1csc(c1)CC[*:1] C[C@@](O)(CNC(=O)[*:1])CN1CCOCC1
CCCS(=O)(=O)N1CCC(NC(=O)N(C)Cc2ccccc2)CC1 CCC[*:1] CN(Cc1ccccc1)C(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
CCCS(=O)(=O)N1CCC(NC(=O)N(C)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCCS(=O)(=O)N1CCC(CC1)NC(=O)N(C)[*:1]
CCCS(=O)(=O)N1CCC(NC(=O)N(C)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCC(CC1)NC(=O)N(C)C[*:1]
Cc1nc(N(C)CC(=O)N(C)C)c2c3c(sc2n1)CCC3 CN(C)C(=O)[*:1] Cc1nc(c2c3CCCc3sc2n1)N(C)C[*:1]
Cc1nc(N(C)CC(=O)N(C)C)c2c3c(sc2n1)CCC3 CN(C)C(=O)C[*:1] Cc1nc(c2c3CCCc3sc2n1)N(C)[*:1]
CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1[*:1]
CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc(F)c1 CCOC(=O)[*:1] CC1=C([C@@H](NC(=O)N1C)c1cccc(F)c1)[*:1]
Cc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)NC(=O)c1ccc(Br)c(c1)[*:1]
Cc1ccc(C)c(C(=O)NCCOc2ccc3ccccc3c2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCCOc1ccc2ccccc2c1)[*:1]
CC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 CC(=O)[*:1] Cc1ccc(cc1C(=O)Oc1ccc(cc1)[*:1])[N+](=O)[O-]
CC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 O=[N+]([O-])[*:1] CC(=O)c1ccc(cc1)OC(=O)c1cc(ccc1C)[*:1]
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@@H](C)[C@H](O)C2)C1 COc1ccccc1[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NC[C@@H]1CCN(C1)[*:1]
COC(=O)c1ccc([C@@H](C)OC(=O)c2cnn(C(C)C)c2C)cc1 CC(C)[*:1] COC(=O)c1ccc(cc1)[C@@H](C)OC(=O)c1cnn(c1C)[*:1]
COC(=O)c1ccc([C@@H](C)OC(=O)c2cnn(C(C)C)c2C)cc1 COC(=O)[*:1] Cc1c(cnn1C(C)C)C(=O)O[C@H](C)c1ccc(cc1)[*:1]
CC[C@@H](C)N[C@](C)(C(=O)OC)c1cc(F)cc(F)c1 COC(=O)[*:1] CC[C@@H](C)N[C@](C)(c1cc(F)cc(F)c1)[*:1]
CC[C@@H](C)N[C@](C)(C(=O)OC)c1cc(F)cc(F)c1 CC[C@@H](C)[*:1] COC(=O)[C@@](C)(N[*:1])c1cc(F)cc(F)c1
CC[C@@H](C)N[C@](C)(C(=O)OC)c1cc(F)cc(F)c1 CC[C@@H](C)N[*:1] COC(=O)[C@@](C)(c1cc(F)cc(F)c1)[*:1]
C[C@@H]1CN(Cc2ccon2)C[C@H](C(N)=O)O1 c1cc(no1)[*:1] C[C@@H]1CN(C[C@@H](O1)C(N)=O)C[*:1]
C[C@@H]1CN(Cc2ccon2)C[C@H](C(N)=O)O1 NC(=O)[*:1] C[C@@H]1CN(Cc2ccon2)C[C@H](O1)[*:1]
Cc1cccc(NC(=O)COc2ccc3c(c2)CCC3)n1 Cc1cccc(n1)[*:1] O=C(COc1ccc2CCCc2c1)N[*:1]
COc1ccc(-c2nnc3sc(NC(=O)c4ccccc4)nn23)cc1OC O=C(N[*:1])c1ccccc1 COc1ccc(cc1OC)-c1nnc2sc(nn12)[*:1]
COc1ccc(-c2nnc3sc(NC(=O)c4ccccc4)nn23)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nnc2sc(nn12)NC(=O)[*:1]
CCc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(OC(F)(F)F)cc2)on1 CCc1cc(C[*:1])on1 O=C(N[*:1])[C@@H]1C[C@@H]1c1ccc(cc1)OC(F)(F)F
CCc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(OC(F)(F)F)cc2)on1 CCc1cc(on1)[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1ccc(cc1)OC(F)(F)F
CCc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(OC(F)(F)F)cc2)on1 FC(F)(F)[*:1] CCc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(cc2)O[*:1])on1
CCc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(OC(F)(F)F)cc2)on1 FC(F)(F)O[*:1] CCc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(cc2)[*:1])on1
O=C(NC[C@H](O)c1ccc2ccccc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC[C@H](O)c1ccc2ccccc2c1)c1ccc(c(c1)[*:1])N1CCCC1
O=C(NC[C@H](O)c1ccc2ccccc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] O=C(NC[C@H](O)c1ccc2ccccc2c1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(NC[C@H](O)c1ccc2ccccc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 c1ccc2cc(ccc2c1)[*:1] O=C(NC[C@H](O)[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
COc1ccc(Cn2nnnc2C)cc1[N+](=O)[O-] Cc1nnnn1[*:1] COc1ccc(cc1[N+](=O)[O-])C[*:1]
COc1ccc(Cn2nnnc2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])Cn1nnnc1C
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC[C@@H]1CN(CCO1)[*:1]
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 CC(C)[*:1] C[C@H]1C[C@H]1CN(C(=O)NC[C@@H]1CN(CCO1)Cc1ccccc1)[*:1]
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NC[C@@H]1CN(CCO1)C[*:1]
Cn1c(=S)n(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc21 c1cc2OCCOc2cc1[*:1] Cn1c(=S)n(CN2CCC(CC2)C(=O)[*:1])c2ccccc21
CCC(CC)[C@@H](C[NH3+])SC(C)C CC(C)S[*:1] CCC(CC)[C@@H](C[NH3+])[*:1]
CCC(CC)[C@@H](C[NH3+])SC(C)C CC(C)[*:1] CCC(CC)[C@@H](C[NH3+])S[*:1]
CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(OC(C)C)cc1 CC(C)[*:1] CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(cc1)O[*:1]
CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(OC(C)C)cc1 CNC(=O)C(C)(C)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)NC[*:1]
CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(OC(C)C)cc1 CC(C)O[*:1] CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(cc1)[*:1]
CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(OC(C)C)cc1 CNC(=O)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)NCC(C)(C)[*:1]
O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccc(cc1)[*:1]
O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccc(N2CCOC2=O)cc1 c1ccc(cc1)[*:1] O=C(N[C@H](C1CCCC1)[*:1])c1ccc(cc1)N1CCOC1=O
O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccc(N2CCOC2=O)cc1 C1CCC(C1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1ccc(cc1)N1CCOC1=O
Cc1ccncc1NC(=O)N1CC[C@H](C)CC[C@H]1C(C)C CC(C)[*:1] Cc1ccncc1NC(=O)N1CC[C@H](C)CC[C@@H]1[*:1]
Cc1ccncc1NC(=O)N1CC[C@H](C)CC[C@H]1C(C)C Cc1ccncc1[*:1] CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)N[*:1]
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CC1 c1ccc2c(c1)ncn2[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(nc1)[*:1]
CCn1c(C)cc(C(=O)COC(=O)C2CCN(C(=O)c3ccco3)CC2)c1C c1coc(c1)[*:1] CCn1c(C)cc(C(=O)COC(=O)C2CCN(CC2)C(=O)[*:1])c1C
CCn1c(C)cc(C(=O)COC(=O)C2CCN(C(=O)c3ccco3)CC2)c1C CCn1c(C)cc(c1C)[*:1] O=C(OCC(=O)[*:1])C1CCN(CC1)C(=O)c1ccco1
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccnc1)N(CC(C)C)C3=O c1cncc(c1)[*:1] Cc1cc2oc3C(=O)N(CC(C)C)[C@H](c3c(=O)c2cc1Cl)[*:1]
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccnc1)N(CC(C)C)C3=O CC(C)[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@H](c4cccnc4)c3c(=O)c2cc1Cl
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccnc1)N(CC(C)C)C3=O CC(C)C[*:1] Cc1cc2oc3C(=O)N([C@H](c4cccnc4)c3c(=O)c2cc1Cl)[*:1]
CC(=O)CCCOC(=O)c1cnc2ccc(C)cn12 CC(=O)C[*:1] Cc1ccc2ncc(C(=O)OCC[*:1])n2c1
CC(=O)CCCOC(=O)c1cnc2ccc(C)cn12 CC(=O)[*:1] Cc1ccc2ncc(C(=O)OCCC[*:1])n2c1
CC(=O)CCCOC(=O)c1cnc2ccc(C)cn12 CC(=O)CC[*:1] Cc1ccc2ncc(C(=O)OC[*:1])n2c1
CC(=O)CCCOC(=O)c1cnc2ccc(C)cn12 CC(=O)CCC[*:1] Cc1ccc2ncc(C(=O)O[*:1])n2c1
CC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CCN1CCS(=O)(=O)CC1 O=C([O-])[*:1] CC[NH2+][C@]1(CCC[C@@H]1CCN1CCS(=O)(=O)CC1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)c(C)c1 CC(=O)N[*:1] Cc1cc(ccc1N1CCCCC1=O)NS(=O)(=O)c1ccc(cc1C)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)c(C)c1 O=C1CCCCN1[*:1] CC(=O)Nc1ccc(c(C)c1)S(=O)(=O)Nc1ccc(c(C)c1)[*:1]
Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 c1cc([nH]n1)[*:1] Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC[C@H](C1)[*:1]
Cc1cccc(N)c1C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] Cc1cccc(N)c1C(=O)N(C)[C@@H](C)[*:1]
Cc1cccc(N)c1C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] Cc1cccc(N)c1C(=O)N(C)[C@@H](C)C[*:1]
CCC(CC)[C@H]([NH3+])C(C)(C)[NH+]1CCCC1 CCC(CC)[*:1] CC(C)([C@@H]([NH3+])[*:1])[NH+]1CCCC1
CS(=O)(=O)c1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CS(=O)(=O)c1nc2ccccc2n1Cc1cccc(c1)[*:1]
CS(=O)(=O)c1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1 CS(=O)(=O)[*:1] O=[N+]([O-])c1cccc(c1)Cn1c(nc2ccccc21)[*:1]
COc1ccc(Cc2nc3c4c(C)c(C)n(-c5nccs5)c4ncn3n2)cc1 COc1ccc(cc1)[*:1] Cc1c(C)n(-c2nccs2)c2ncn3nc(C[*:1])nc3c12
COc1ccc(Cc2nc3c4c(C)c(C)n(-c5nccs5)c4ncn3n2)cc1 c1csc(n1)[*:1] COc1ccc(cc1)Cc1nc2c3c(C)c(C)n(c3ncn2n1)[*:1]
COc1ccc(Cc2nc3c4c(C)c(C)n(-c5nccs5)c4ncn3n2)cc1 COc1ccc(cc1)C[*:1] Cc1c(C)n(-c2nccs2)c2ncn3nc(nc3c12)[*:1]
COc1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OCc1c(C)noc1C Cc1noc(C)c1C[*:1] COc1cc(ccc1O[*:1])CNC1CC(C)(C)[NH2+]C(C)(C)C1
COc1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OCc1c(C)noc1C Cc1noc(C)c1[*:1] COc1cc(ccc1OC[*:1])CNC1CC(C)(C)[NH2+]C(C)(C)C1
COc1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OCc1c(C)noc1C Cc1noc(C)c1CO[*:1] COc1cc(ccc1[*:1])CNC1CC(C)(C)[NH2+]C(C)(C)C1
CNC(=O)CC1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)NC1CC[NH+](CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 CNC(=O)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 c1ccc(cc1)C[*:1] CNC(=O)CC1CCN(CC1)C(=O)NC1CC[NH+](CC1)[*:1]
CNC(=O)CC1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 CNC(=O)C[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)N1CCC(CC1)[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] CC(C)[C@@H](CO)NC(=O)Nc1ccc(cc1)O[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] CC(C)[C@@H](CO)NC(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](CO)NC(=O)Nc1ccc(OC2CCCC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)OC1CCCC1)N[C@H](CO)[*:1]
C[C@@H](CCS)CCN1C(=O)CCC1=O SCC[*:1] C[C@@H](CCN1C(=O)CCC1=O)[*:1]
CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(-c3ccccc3)n1-c1ccccc1)C2=O c1ccc(cc1)[*:1] CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(-c3ccccc3)n1[*:1])C2=O
CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(-c3ccccc3)n1-c1ccccc1)C2=O c1ccc(cc1)[*:1] CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(n1-c1ccccc1)[*:1])C2=O
COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)N5CCC(C)CC5)n4n3)CC2)c1 CC1CCN(CC1)C(=O)[*:1] COc1cccc(c1)N1CCN(CC1)c1ccc2nnc(CC[*:1])n2n1
COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)N5CCC(C)CC5)n4n3)CC2)c1 COc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)CCc1nnc2ccc(nn12)N1CCN(CC1)[*:1]
COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)N5CCC(C)CC5)n4n3)CC2)c1 CC1CCN(CC1)C(=O)C[*:1] COc1cccc(c1)N1CCN(CC1)c1ccc2nnc(C[*:1])n2n1
COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)N5CCC(C)CC5)n4n3)CC2)c1 CC1CCN(CC1)C(=O)CC[*:1] COc1cccc(c1)N1CCN(CC1)c1ccc2nnc(n2n1)[*:1]
O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1ccc(cc1)-c1nnnn1C1CC1)C(=O)N[*:1]
O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)C(=O)NC1CCCC1 C1CC1[*:1] O=C(Nc1ccc(cc1)-c1nnnn1[*:1])C(=O)NC1CCCC1
O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)C(=O)NC1CCCC1 C1CC1n1nnnc1[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)NC1CCCC1
Cc1cnc(N2CCC(NC(=O)c3ccncc3)CC2)c([N+](=O)[O-])c1 c1cc(ccn1)[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N1CCC(CC1)NC(=O)[*:1]
Cc1cnc(N2CCC(NC(=O)c3ccncc3)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(c(c1)[*:1])N1CCC(CC1)NC(=O)c1ccncc1
CCO[C@@H](C)c1noc(CS[C@@H](C)c2ccc3ccccc3c2)n1 CCO[C@@H](C)[*:1] C[C@H](SCc1nc(no1)[*:1])c1ccc2ccccc2c1
CCO[C@@H](C)c1noc(CS[C@@H](C)c2ccc3ccccc3c2)n1 CCO[*:1] C[C@H](SCc1nc(no1)[C@H](C)[*:1])c1ccc2ccccc2c1
COc1ccc(NC(=O)[C@@H]2CN(C)CCO2)cc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1ccc(cc1[*:1])NC(=O)[C@@H]1CN(C)CCO1
COc1ccc(NC(=O)[C@@H]2CN(C)CCO2)cc1OCC(F)(F)F FC(F)(F)C[*:1] COc1ccc(cc1O[*:1])NC(=O)[C@@H]1CN(C)CCO1
COc1ccc(NC(=O)[C@@H]2CN(C)CCO2)cc1OCC(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1OC[*:1])NC(=O)[C@@H]1CN(C)CCO1
Cc1ccc(C(C)C)c(OCC(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
CC(=O)N1CCCC[C@H]1CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 C1CN(CCO1)[*:1] CC(=O)N1CCCC[C@H]1CC(=O)N1C[C@H](C)[C@H](C1)[*:1]
COC[C@@H]([NH2+]C(C)C)c1ccc(F)cn1 CC(C)[*:1] COC[C@@H]([NH2+][*:1])c1ccc(F)cn1
COC[C@@H]([NH2+]C(C)C)c1ccc(F)cn1 COC[*:1] CC(C)[NH2+][C@@H](c1ccc(F)cn1)[*:1]
C[NH2+]Cc1cn(CC[NH+](C)C2CCC(C)(C)CC2)nn1 C[NH2+]C[*:1] C[NH+](CCn1cc(nn1)[*:1])C1CCC(C)(C)CC1
CCc1sc([C@H](C)[NH2+][C@@H](C)c2ccccn2)cc1C c1ccc(nc1)[*:1] CCc1sc(cc1C)[C@H](C)[NH2+][C@@H](C)[*:1]
Cc1nc(S(=O)(=O)N2CCN(CC(C)(C)CCC#N)CC2)cn1C N#CC[*:1] Cc1nc(cn1C)S(=O)(=O)N1CCN(CC1)CC(C)(C)C[*:1]
Cc1nc(S(=O)(=O)N2CCN(CC(C)(C)CCC#N)CC2)cn1C N#CCC[*:1] Cc1nc(cn1C)S(=O)(=O)N1CCN(CC1)CC(C)(C)[*:1]
Cc1nc(S(=O)(=O)N2CCN(CC(C)(C)CCC#N)CC2)cn1C Cc1nc(cn1C)[*:1] CC(C)(CCC#N)CN1CCN(CC1)S(=O)(=O)[*:1]
Cc1nc(S(=O)(=O)N2CCN(CC(C)(C)CCC#N)CC2)cn1C CC(C)(CCC#N)[*:1] Cc1nc(cn1C)S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1nc(S(=O)(=O)N2CCN(CC(C)(C)CCC#N)CC2)cn1C CC(C)(CCC#N)C[*:1] Cc1nc(cn1C)S(=O)(=O)N1CCN(CC1)[*:1]
COC(C)(C)CNC(=O)CCc1cc(Cl)ccc1Br COC(C)(C)[*:1] O=C(CCc1cc(Cl)ccc1Br)NC[*:1]
COC(C)(C)CNC(=O)CCc1cc(Cl)ccc1Br COC(C)(C)C[*:1] O=C(CCc1cc(Cl)ccc1Br)N[*:1]
C[C@@H]1CCN(C(=O)CCNC(=O)c2ccsc2)[C@H](C)C1 c1cc(cs1)[*:1] C[C@@H]1CCN(C(=O)CCNC(=O)[*:1])[C@H](C)C1
COc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](c2ccco2)C3)cc1 COc1ccc(cc1)[*:1] O=C1C[C@H](Cc2c1c(nn2-c1ccccc1)N[*:1])c1ccco1
COc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](c2ccco2)C3)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)Nc1nn(c2C[C@@H](CC(=O)c12)c1ccco1)[*:1]
COc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](c2ccco2)C3)cc1 COc1ccc(cc1)N[*:1] O=C1C[C@H](Cc2c1c(nn2-c1ccccc1)[*:1])c1ccco1
COc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](c2ccco2)C3)cc1 c1coc(c1)[*:1] COc1ccc(cc1)Nc1nn(-c2ccccc2)c2C[C@H](CC(=O)c12)[*:1]
C[C@@H]1CCc2c(sc3nc(CCC(=O)NCc4ccco4)[nH]c(=O)c23)C1 c1coc(c1)C[*:1] C[C@@H]1CCc2c(C1)sc1nc(CCC(=O)N[*:1])[nH]c(=O)c21
C[C@@H]1CCc2c(sc3nc(CCC(=O)NCc4ccco4)[nH]c(=O)c23)C1 c1coc(c1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(CCC(=O)NC[*:1])[nH]c(=O)c21
Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(I)cc1)S(C)(=O)=O Ic1ccc(cc1)[*:1] Cc1cc(Cl)ccc1N(CC(=O)N[*:1])S(C)(=O)=O
Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(I)cc1)S(C)(=O)=O Cc1cc(Cl)ccc1[*:1] CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)[*:1]
O=C(NCc1nc(-c2ncccn2)no1)[C@H](c1cccnc1)N1CCCC1 c1cnc(nc1)[*:1] O=C(NCc1nc(no1)[*:1])[C@H](c1cccnc1)N1CCCC1
O=C(NCc1nc(-c2ncccn2)no1)[C@H](c1cccnc1)N1CCCC1 c1cncc(c1)[*:1] O=C(NCc1nc(no1)-c1ncccn1)[C@H](N1CCCC1)[*:1]
O=C(NCc1nc(-c2ncccn2)no1)[C@H](c1cccnc1)N1CCCC1 C1CCN(C1)[*:1] O=C(NCc1nc(no1)-c1ncccn1)[C@H](c1cccnc1)[*:1]
CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cccc2ccccc12 C1CN(CCO1)[*:1] CCn1c(C[*:1])nnc1SCC(=O)Nc1cccc2ccccc12
CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cccc2ccccc12 C1CN(CCO1)C[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cccc2ccccc12
Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1c[nH]c(c1)C(=O)N1CCCC1
Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)c1 O=C(N1CCCC1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1c[nH]c(c1)[*:1]
O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1)Nc1ccc(cc1)NC(=O)[*:1]
O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)c2ccccc2)cc1 C(=C[*:1])c1ccccc1 O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccccc1
O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)NC(=O)c1ccccc1
CC[C@@](C)(Nc1[nH+]ccn(C2CC2)c1=O)C(=O)[O-] C1CC1[*:1] CC[C@@](C)(Nc1[nH+]ccn(c1=O)[*:1])C(=O)[O-]
CC[C@@](C)(Nc1[nH+]ccn(C2CC2)c1=O)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(Nc1[nH+]ccn(c1=O)C1CC1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C)n(C3CC3)c2C)C1 CCNS(=O)(=O)[*:1] Cc1cc(C(=O)N2CC[C@H](C2)[*:1])c(C)n1C1CC1
CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C)n(C3CC3)c2C)C1 C1CC1[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)c1cc(C)n(c1C)[*:1]
CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@H]1c1ccc(O)c(OC)c1 Clc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1ccc(O)c(c1)OC)[*:1]
CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@H]1c1ccc(O)c(OC)c1 CCOC(=O)[*:1] COc1cc(ccc1O)[C@H]1C(=C(C)Nc2nc(nn21)-c1ccc(Cl)cc1)[*:1]
CCOC(=O)C1=C(C)Nc2nc(-c3ccc(Cl)cc3)nn2[C@H]1c1ccc(O)c(OC)c1 COc1cc(ccc1O)[*:1] CCOC(=O)C1=C(C)Nc2nc(nn2[C@@H]1[*:1])-c1ccc(Cl)cc1
CCCc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(F)c3F)C2=O)cc1 Fc1cccc(c1F)[*:1] CCCc1ccc(cc1)[C@@]1(C)NC(=O)N(C[*:1])C1=O
CCCc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(F)c3F)C2=O)cc1 CCC[*:1] C[C@@]1(NC(=O)N(Cc2cccc(F)c2F)C1=O)c1ccc(cc1)[*:1]
C/C=C/C=C/C(=O)Nc1cccc(Br)c1 C/C=C/C=C[*:1] O=C(Nc1cccc(Br)c1)[*:1]
C/C=C/C=C/C(=O)Nc1cccc(Br)c1 CC=C[*:1] O=C(C=C[*:1])Nc1cccc(Br)c1
Cc1ccc([N+](=O)[O-])c(NC(CO)CO)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)NC(CO)CO)[*:1]
Cc1ccc([N+](=O)[O-])c(NC(CO)CO)c1 OCC(CO)[*:1] Cc1ccc(c(c1)N[*:1])[N+](=O)[O-]
O=C(NCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 c1cc2OCOc2cc1[*:1] O=C(NCCC(=O)N1CCN(CC1)C[*:1])c1ccc(Cl)cc1
O=C(NCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 O=C(CC[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(NCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 c1cc2OCOc2cc1C[*:1] O=C(NCCC(=O)N1CCN(CC1)[*:1])c1ccc(Cl)cc1
O=C(NCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCNC(=O)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
CCOc1ccccc1C[S@@](=O)CC(=O)Nc1sc(C)c(C)c1C CCO[*:1] Cc1sc(NC(=O)C[S@](=O)Cc2ccccc2[*:1])c(C)c1C
CCOc1ccccc1C[S@@](=O)CC(=O)Nc1sc(C)c(C)c1C Cc1sc(c(C)c1C)[*:1] CCOc1ccccc1C[S@@](=O)CC(=O)N[*:1]
O[C@]1(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CCOC1 O[C@@]1(CCOC1)[*:1] Clc1ccc2CCC[C@@H]([NH2+]C[*:1])c2c1
CNC(=O)c1ccccc1NC(=O)COc1cccc(C)c1 CNC(=O)[*:1] Cc1cccc(c1)OCC(=O)Nc1ccccc1[*:1]
CNC(=O)c1ccccc1NC(=O)COc1cccc(C)c1 Cc1cccc(c1)[*:1] CNC(=O)c1ccccc1NC(=O)CO[*:1]
O=C(CCCc1nc2ccccc2c(=O)[nH]1)Oc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(CCCc1nc2ccccc2c(=O)[nH]1)O[*:1]
CC[C@H](C)[C@@H](C)[C@](C)(O)C(=O)[O-] CC[C@H](C)[*:1] C[C@@H]([C@](C)(O)C(=O)[O-])[*:1]
CC[C@H](C)[C@@H](C)[C@](C)(O)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@@H](C)[C@](C)(O)[*:1]
C/C(=N\NC(=O)CNc1cccc(Br)c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=NNC(=O)CNc1cccc(Br)c1)[*:1]
C/C(=N\NC(=O)CNc1cccc(Br)c1)c1ccc(Br)cc1 Brc1cccc(c1)[*:1] C/C(=N\NC(=O)CN[*:1])c1ccc(Br)cc1
COc1ncccc1C(=O)NNC(=O)Cc1ccncc1 c1cc(ccn1)[*:1] COc1ncccc1C(=O)NNC(=O)C[*:1]
COc1ncccc1C(=O)NNC(=O)Cc1ccncc1 c1cc(ccn1)C[*:1] COc1ncccc1C(=O)NNC(=O)[*:1]
CC/[NH+]=C(/NCC1([O-])CCC1)N[C@H]1CCC[C@@H](C)C1 [O-]C1(CCC1)[*:1] CC/[NH+]=C(/NC[*:1])N[C@H]1CCC[C@@H](C)C1
CC/[NH+]=C(/NCC1([O-])CCC1)N[C@H]1CCC[C@@H](C)C1 [O-]C1(CCC1)C[*:1] CC/[NH+]=C(\N[C@H]1CCC[C@@H](C)C1)N[*:1]
Cc1occc1C(=O)Nc1nc(CC(=O)OCC#Cc2ccccc2)cs1 Cc1occc1[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])OCC#Cc1ccccc1
Cc1occc1C(=O)Nc1nc(CC(=O)OCC#Cc2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1occc1C(=O)Nc1nc(cs1)CC(=O)OCC#C[*:1]
Cc1occc1C(=O)Nc1nc(CC(=O)OCC#Cc2ccccc2)cs1 Cc1occc1C(=O)N[*:1] O=C(Cc1csc(n1)[*:1])OCC#Cc1ccccc1
Cc1occc1C(=O)Nc1nc(CC(=O)OCC#Cc2ccccc2)cs1 C(#Cc1ccccc1)C[*:1] Cc1occc1C(=O)Nc1nc(cs1)CC(=O)O[*:1]
Cc1occc1C(=O)Nc1nc(CC(=O)OCC#Cc2ccccc2)cs1 C(#C[*:1])c1ccccc1 Cc1occc1C(=O)Nc1nc(cs1)CC(=O)OC[*:1]
O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C(=O)NN)C1 O=[N+]([O-])[*:1] C[C@@H](Oc1ccccc1[*:1])C(=O)N1CCC[C@H](C1)C(=O)NN
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C(=O)NN)C1 NNC(=O)[*:1] C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CCC[C@@H](C1)[*:1]
COc1cccc(OCC(=O)N2CC[NH+](C(C)C)CC2)c1 CC(C)[*:1] COc1cccc(c1)OCC(=O)N1CC[NH+](CC1)[*:1]
Cc1ccccc1-c1nnc(SC[C@@H](O)c2ccc(OC(F)F)cc2)o1 FC(F)[*:1] Cc1ccccc1-c1nnc(o1)SC[C@@H](O)c1ccc(cc1)O[*:1]
Cc1ccccc1-c1nnc(SC[C@@H](O)c2ccc(OC(F)F)cc2)o1 Cc1ccccc1[*:1] O[C@H](CSc1nnc(o1)[*:1])c1ccc(cc1)OC(F)F
Cc1ccccc1-c1nnc(SC[C@@H](O)c2ccc(OC(F)F)cc2)o1 FC(F)O[*:1] Cc1ccccc1-c1nnc(o1)SC[C@@H](O)c1ccc(cc1)[*:1]
CC(C)[C@H](Sc1nc2ncccn2n1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)[C@H](Sc1nc2ncccn2n1)C(=O)N[*:1]
CC(C)[C@H](Sc1nc2ncccn2n1)C(=O)Nc1cccc(F)c1 CC(C)[*:1] O=C(Nc1cccc(F)c1)[C@@H](Sc1nc2ncccn2n1)[*:1]
[NH3+]CCCN1CC[C@H](c2ccccc2)C1 [NH3+]CCC[*:1] c1ccc(cc1)[C@H]1CCN(C1)[*:1]
[NH3+]CCCN1CC[C@H](c2ccccc2)C1 [NH3+]CC[*:1] c1ccc(cc1)[C@H]1CCN(C1)C[*:1]
O=C(NCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(O)cc1 O=C(N[*:1])c1cccs1 O=C(NCCNC(=O)c1ccc(cc1)[*:1])c1ccc(O)cc1
O=C(NCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(O)cc1 c1csc(c1)[*:1] O=C(NCCNC(=O)c1ccc(cc1)NC(=O)[*:1])c1ccc(O)cc1
O=C(NCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])c1ccc(cc1)NC(=O)c1cccs1
C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(C)c(C)c1 Clc1ccc(cc1)[*:1] C/C(=N\NC(=O)C[*:1])c1ccc(C)c(C)c1
Cc1ccc(NCC(=O)NNC(=O)c2ncccc2C(F)(F)F)c(C)c1 FC(F)(F)[*:1] Cc1ccc(NCC(=O)NNC(=O)c2ncccc2[*:1])c(C)c1
Cc1ccc(NCC(=O)NNC(=O)c2ncccc2C(F)(F)F)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CN[*:1])NNC(=O)c1ncccc1C(F)(F)F
CCN(C)C(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 CC(C)(C)[*:1] CCN(C)C(=O)c1cccc(c1)C(=O)N[C@@H](C#N)c1ccc(cc1)[*:1]
CCN(C)C(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 CCN(C)C(=O)[*:1] CC(C)(C)c1ccc(cc1)[C@H](C#N)NC(=O)c1cccc(c1)[*:1]
CCOCCn1/c(=N/C(=O)Cc2ccc(C)c(C)c2)sc2cc(S(C)(=O)=O)ccc21 CCOCC[*:1] Cc1ccc(cc1C)CC(=O)/N=c1\sc2cc(ccc2n1[*:1])S(C)(=O)=O
CCOCCn1/c(=N/C(=O)Cc2ccc(C)c(C)c2)sc2cc(S(C)(=O)=O)ccc21 Cc1ccc(cc1C)[*:1] CCOCCn1/c(=N/C(=O)C[*:1])sc2cc(ccc21)S(C)(=O)=O
CCOCCn1/c(=N/C(=O)Cc2ccc(C)c(C)c2)sc2cc(S(C)(=O)=O)ccc21 CCOC[*:1] Cc1ccc(cc1C)CC(=O)/N=c1\sc2cc(ccc2n1C[*:1])S(C)(=O)=O
CCOCCn1/c(=N/C(=O)Cc2ccc(C)c(C)c2)sc2cc(S(C)(=O)=O)ccc21 CCO[*:1] Cc1ccc(cc1C)CC(=O)/N=c1\sc2cc(ccc2n1CC[*:1])S(C)(=O)=O
CCOCCn1/c(=N/C(=O)Cc2ccc(C)c(C)c2)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] CCOCCn1/c(=N/C(=O)Cc2ccc(C)c(C)c2)sc2cc(ccc21)[*:1]
CCOCCn1/c(=N/C(=O)Cc2ccc(C)c(C)c2)sc2cc(S(C)(=O)=O)ccc21 Cc1ccc(cc1C)C[*:1] CCOCCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
Cc1cccn2cc(C[S@](=O)[C@H](C)C(=O)N(C)C3CCCCC3)nc12 C1CCC(CC1)[*:1] Cc1cccn2cc(C[S@](=O)[C@H](C)C(=O)N(C)[*:1])nc12
COc1cc(Br)c(C(=O)c2ccoc2C)c(OC)c1 Cc1occc1[*:1] COc1cc(Br)c(C(=O)[*:1])c(c1)OC
C#CCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)Nc1cccc(C#N)c1)[*:1]
C#CCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] N#Cc1cccc(c1)NC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(Cc2nc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cs2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)Cc1nc(cs1)C(=O)Nc1ccc(c(C)n1)[*:1]
Cc1ccc(Cc2nc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cs2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(ccc1[N+](=O)[O-])NC(=O)c1csc(C[*:1])n1
Cc1ccc(Cc2nc(C(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cs2)cc1 Cc1ccc(cc1)C[*:1] Cc1nc(ccc1[N+](=O)[O-])NC(=O)c1csc(n1)[*:1]
NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Nc1ccc2c(c1)COC2 NC(=O)[*:1] O=C(Nc1ccc2COCc2c1)N[C@H]1CCCCC[C@@H]1[*:1]
C[C@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)CCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)C[*:1]
C[C@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)CCc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)CC[*:1]
CC[C@H](CNC(=O)c1csnn1)Oc1cccc(C(F)(F)F)c1 c1snnc1[*:1] CC[C@H](CNC(=O)[*:1])Oc1cccc(c1)C(F)(F)F
CC[C@H](CNC(=O)c1csnn1)Oc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](CNC(=O)c1csnn1)Oc1cccc(c1)[*:1]
CC(C)N(C(=O)Cc1cc(-c2ccccc2)on1)C1CCC1 c1ccc(cc1)[*:1] CC(C)N(C(=O)Cc1cc(on1)[*:1])C1CCC1
CC(C)N(C(=O)Cc1cc(-c2ccccc2)on1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)Cc1cc(on1)-c1ccccc1)[*:1]
CC(C)N(C(=O)Cc1cc(-c2ccccc2)on1)C1CCC1 CC(C)[*:1] O=C(Cc1cc(on1)-c1ccccc1)N(C1CCC1)[*:1]
CN(C)C(=O)c1ccc(NCc2cc(Br)cs2)nn1 CN(C)C(=O)[*:1] Brc1csc(c1)CNc1ccc(nn1)[*:1]
CN(C)C(=O)c1ccc(NCc2cc(Br)cs2)nn1 Brc1csc(c1)[*:1] CN(C)C(=O)c1ccc(nn1)NC[*:1]
CCC[C@H]1C[C@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O CCC[*:1] O=C(Cn1cnc2ccc(Br)cc2c1=O)N[C@@H]1C[C@@H]1[*:1]
O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NC1CCCC1 O=C(N[*:1])c1ccco1 O=C(COC(=O)c1ccccc1[*:1])NC1CCCC1
O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NC1CCCC1 C1CCC(C1)[*:1] O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)N[*:1]
O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NC1CCCC1 c1coc(c1)[*:1] O=C(COC(=O)c1ccccc1NC(=O)[*:1])NC1CCCC1
O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C(Nc1ccccc1C(=O)OC[*:1])c1ccco1
CCCc1cc(NC(=O)c2cc3ccccc3c(Cl)n2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)c1cc2ccccc2c(Cl)n1)[*:1]
Cc1ccc(CNC(=O)C2CC[NH+](C3CCSCC3)CC2)cc1F Cc1ccc(cc1F)[*:1] O=C(NC[*:1])C1CC[NH+](CC1)C1CCSCC1
CCN(CCCl)C(=O)c1csc(I)c1 ClCC[*:1] CCN(C(=O)c1csc(I)c1)[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@H](C)c3cc(C)oc3C)C2)nc1 Cc1cc(c(C)o1)[*:1] Cc1ccc(nc1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@H](C)c3cc(C)oc3C)C2)nc1 Cc1ccc(nc1)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@H](C)c3cc(C)oc3C)C2)nc1 Cc1cc(c(C)o1)[C@@H](C)[*:1] Cc1ccc(nc1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
CCc1ccc(C(=O)[C@@H](C)Cl)cc1 C[C@@H](Cl)[*:1] CCc1ccc(cc1)C(=O)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN2CCNC(=O)[C@H]2C1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)N1CCN2CCNC(=O)[C@H]2C1)[*:1]
Clc1ccc(-n2ncc3c(SCC[NH+]4CCCCC4)ncnc32)cc1 Clc1ccc(cc1)[*:1] c1nc(SCC[NH+]2CCCCC2)c2cnn(c2n1)[*:1]
Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2CCCO2)c1C1CC1 C1CC1[*:1] Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2CCCO2)c1[*:1]
Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2CCCO2)c1C1CC1 C1CO[C@@H](C1)[*:1] Cc1ccccc1-n1ncc(C(=O)NC[*:1])c1C1CC1
Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2CCCO2)c1C1CC1 C1CO[C@@H](C1)C[*:1] Cc1ccccc1-n1ncc(C(=O)N[*:1])c1C1CC1
Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2CCCO2)c1C1CC1 Cc1ccccc1[*:1] O=C(NC[C@@H]1CCCO1)c1cnn(c1C1CC1)[*:1]
O=C(c1ccccc1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 c1ccc(cc1)[*:1] O=C(N1CCN(CC1)Cc1cccc(c1)C(F)(F)F)[*:1]
O=C(c1ccccc1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)[*:1]
O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@H]1CCCC[C@H]1C(=O)[O-] Clc1ccc(cc1Cl)[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1CCCC[C@H]1C(=O)[O-]
O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@H]1CCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[*:1]
Cc1cnc(C(=O)N(C)Cc2cc(C)on2)cn1 Cc1cc(no1)[*:1] Cc1cnc(cn1)C(=O)N(C)C[*:1]
CC(C)n1cnnc1C[NH2+][C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 CC(C)[*:1] CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1[NH2+]Cc1nncn1[*:1]
O=C(Nc1ccccc1N1CCOCC1)c1ncn[n-]1 C1CN(CCO1)[*:1] O=C(Nc1ccccc1[*:1])c1ncn[n-]1
Cc1[nH]c(C(=O)N2CCC(CC(=O)NC3CC3)CC2)c(C)c1C O=C(NC1CC1)[*:1] Cc1[nH]c(C(=O)N2CCC(CC2)C[*:1])c(C)c1C
Cc1[nH]c(C(=O)N2CCC(CC(=O)NC3CC3)CC2)c(C)c1C O=C(C[*:1])NC1CC1 Cc1[nH]c(C(=O)N2CCC(CC2)[*:1])c(C)c1C
Cc1[nH]c(C(=O)N2CCC(CC(=O)NC3CC3)CC2)c(C)c1C C1CC1[*:1] Cc1[nH]c(C(=O)N2CCC(CC2)CC(=O)N[*:1])c(C)c1C
CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)/C=C/c2ccccc2)C1 c1ccc(cc1)[*:1] CO[C@@H]1C[C@@H](C(=O)[O-])N(C1)S(=O)(=O)C=C[*:1]
CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)/C=C/c2ccccc2)C1 O=C([O-])[*:1] CO[C@@H]1C[C@@H](N(C1)S(=O)(=O)/C=C/c1ccccc1)[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)OC2CCCCC2)c1C C1CCC(CC1)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)O[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)OC2CCCCC2)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)OC2CCCCC2)c(C)c1[*:1]
N#C[C@H](Sc1ccccc1)C(F)(F)F FC(F)(F)[*:1] N#C[C@H](Sc1ccccc1)[*:1]
Cc1c(C(=O)Nc2c(F)cccc2N2CCCC2)cnn1C(C)C C1CCN(C1)[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1c(F)cccc1[*:1]
Cc1c(C(=O)Nc2c(F)cccc2N2CCCC2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1c(F)cccc1N1CCCC1
O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[*:1]
O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1cccnc1Cl Clc1ncccc1[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
CCn1nc(C)c(NC(=O)N2CCC[C@@H]2c2cc(C)cc(C)c2)c1C Cc1cc(C)cc(c1)[*:1] CCn1nc(C)c(NC(=O)N2CCC[C@H]2[*:1])c1C
C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1nc(-c2ccc3c(c2)OCO3)ccc1=O FC(F)(F)[*:1] C[C@H](C(=O)Nc1cc(ccc1Cl)[*:1])n1nc(ccc1=O)-c1ccc2OCOc2c1
C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1nc(-c2ccc3c(c2)OCO3)ccc1=O c1cc2OCOc2cc1[*:1] C[C@H](C(=O)Nc1cc(ccc1Cl)C(F)(F)F)n1nc(ccc1=O)[*:1]
CCC(=O)Nc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1 CCC(=O)N[*:1] COc1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1 COc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)-c1nnc(o1)[*:1]
Cc1cc(C(N)=O)c2c(Br)cccc2n1 NC(=O)[*:1] Cc1cc(c2c(Br)cccc2n1)[*:1]
CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1CC1 O=C([O-])[*:1] CN(C(=O)[C@H]1CCCC[C@@H]1[*:1])C1CC1
CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1CC1 C1CC1[*:1] CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[*:1]
CC(=O)N[C@H]1C[C@@H]([C@H]2C=C(C(C)(C)C)N=N2)O[C@@H](C2CCCCC2)C1 CC(C)(C)[*:1] CC(=O)N[C@H]1C[C@H](O[C@H](C1)C1CCCCC1)[C@H]1C=C(N=N1)[*:1]
CC(=O)N[C@H]1C[C@@H]([C@H]2C=C(C(C)(C)C)N=N2)O[C@@H](C2CCCCC2)C1 CC(=O)N[*:1] CC(C)(C)C1=C[C@@H](N=N1)[C@@H]1C[C@@H](C[C@@H](O1)C1CCCCC1)[*:1]
CC(=O)N[C@H]1C[C@@H]([C@H]2C=C(C(C)(C)C)N=N2)O[C@@H](C2CCCCC2)C1 C1CCC(CC1)[*:1] CC(=O)N[C@H]1C[C@H](O[C@@H](C1)[*:1])[C@H]1C=C(N=N1)C(C)(C)C
O=C(NCc1nncn1C1CC1)Nc1ccc(F)c(C(F)(F)F)c1 C1CC1[*:1] O=C(NCc1nncn1[*:1])Nc1ccc(F)c(c1)C(F)(F)F
O=C(NCc1nncn1C1CC1)Nc1ccc(F)c(C(F)(F)F)c1 c1nnc(n1C1CC1)[*:1] O=C(NC[*:1])Nc1ccc(F)c(c1)C(F)(F)F
O=C(NCc1nncn1C1CC1)Nc1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCc1nncn1C1CC1)Nc1ccc(F)c(c1)[*:1]
O=C([O-])c1ccc(OCCn2nnc3ccccc32)cc1 O=C([O-])[*:1] c1ccc2c(c1)nnn2CCOc1ccc(cc1)[*:1]
C[C@H](Br)c1ccccc1F C[C@H](Br)[*:1] Fc1ccccc1[*:1]
CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1 CC(=O)NN=C[*:1] CC(C)NC(=O)COc1ccc(cc1)[*:1]
CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1 CC(C)[*:1] CC(=O)N/N=C/c1ccc(cc1)OCC(=O)N[*:1]
CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] CC(=O)N/N=C/c1ccc(cc1)OC[*:1]
CCCc1cc(NC(=O)NC[C@](C)(O)[C@@H](C)CC)n(C)n1 CCC[*:1] CC[C@H](C)[C@@](C)(O)CNC(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)NC[C@](C)(O)[C@@H](C)CC)n(C)n1 CC[C@H](C)[*:1] CCCc1cc(NC(=O)NC[C@](C)(O)[*:1])n(C)n1
CC(=O)N1CCc2cc(NC(=O)[C@@H]3[C@H]4C=C[C@]5(CN(C6CCCC6)C(=O)[C@H]35)O4)ccc21 C1CCC(C1)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)[*:1])O2
CCOCCCC(=O)N1CC[C@H](C[NH2+]C)C1 CCO[*:1] C[NH2+]C[C@H]1CCN(C1)C(=O)CCC[*:1]
CCOCCCC(=O)N1CC[C@H](C[NH2+]C)C1 CCOCC[*:1] C[NH2+]C[C@H]1CCN(C1)C(=O)C[*:1]
CCOCCCC(=O)N1CC[C@H](C[NH2+]C)C1 CCOC[*:1] C[NH2+]C[C@H]1CCN(C1)C(=O)CC[*:1]
CCNC(=O)C1CCN(c2cc(Nc3ccc(C)cc3)ncn2)CC1 Cc1ccc(cc1)[*:1] CCNC(=O)C1CCN(CC1)c1cc(ncn1)N[*:1]
CCNC(=O)C1CCN(c2cc(Nc3ccc(C)cc3)ncn2)CC1 Cc1ccc(cc1)N[*:1] CCNC(=O)C1CCN(CC1)c1cc(ncn1)[*:1]
CCNC(=O)C1CCN(c2cc(Nc3ccc(C)cc3)ncn2)CC1 CCNC(=O)[*:1] Cc1ccc(cc1)Nc1cc(ncn1)N1CCC(CC1)[*:1]
COc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)NCc5cccc(Cl)c5)CC4)n3n2)cc1 Clc1cccc(c1)C[*:1] COc1ccc(cc1)-c1cc2nc(C)cc(N3CCC(CC3)C(=O)N[*:1])n2n1
COc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)NCc5cccc(Cl)c5)CC4)n3n2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)-c1cc2nc(C)cc(N3CCC(CC3)C(=O)NC[*:1])n2n1
COc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)NCc5cccc(Cl)c5)CC4)n3n2)cc1 O=C(NCc1cccc(Cl)c1)[*:1] COc1ccc(cc1)-c1cc2nc(C)cc(N3CCC(CC3)[*:1])n2n1
COc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)NCc5cccc(Cl)c5)CC4)n3n2)cc1 COc1ccc(cc1)[*:1] Cc1cc(N2CCC(CC2)C(=O)NCc2cccc(Cl)c2)n2nc(cc2n1)[*:1]
CC(=O)N[C@@H]1CCCN(CC(=O)NCC(C)(C)N2CCOCC2)C1 CC(=O)N[*:1] CC(C)(CNC(=O)CN1CCC[C@H](C1)[*:1])N1CCOCC1
CC(=O)N[C@@H]1CCCN(CC(=O)NCC(C)(C)N2CCOCC2)C1 C1CN(CCO1)[*:1] CC(=O)N[C@@H]1CCCN(CC(=O)NCC(C)(C)[*:1])C1
COc1ccc(NC(=O)N[C@H](CO)CC(C)C)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)NC(=O)N[C@H](CO)[*:1]
COc1ccc(NC(=O)N[C@H](CO)CC(C)C)cc1OC CC(C)C[C@@H](CO)[*:1] COc1ccc(cc1OC)NC(=O)N[*:1]
COc1ccc(NC(=O)N[C@H](CO)CC(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)NC(=O)N[C@H](CO)C[*:1]
N#C[C@@H]1C(=N)[C@@](C#N)(c2ccc([N+](=O)[O-])cc2)[C@H](C#N)[C@@H]2CCCC=C12 O=[N+]([O-])[*:1] N#C[C@@H]1C(=N)[C@@](C#N)(c2ccc(cc2)[*:1])[C@H](C#N)[C@@H]2CCCC=C12
N#CCSc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 FC(F)(F)[*:1] N#CCSc1cccc(c1)C(=O)N(C[*:1])c1ccccn1
N#CCSc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 N#CC[*:1] O=C(c1cccc(c1)S[*:1])N(CC(F)(F)F)c1ccccn1
N#CCSc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 N#CCS[*:1] O=C(c1cccc(c1)[*:1])N(CC(F)(F)F)c1ccccn1
N#CCSc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 c1ccc(nc1)[*:1] N#CCSc1cccc(c1)C(=O)N(CC(F)(F)F)[*:1]
N#CCSc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 FC(F)(F)C[*:1] N#CCSc1cccc(c1)C(=O)N(c1ccccn1)[*:1]
Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1 O=S(=O)(N1CCCC1)[*:1] Cc1cc(C)c2nc(NNC(=O)c3ccc(cc3)[*:1])sc2c1
COc1cc(C)ccc1N[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] COc1cc(C)ccc1N[C@H](C)C(=O)N[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccc(C)o2)C1=O Cc1ccc(o1)[*:1] CC[C@]1(NC(=O)N(CC(=O)N(C)C[*:1])C1=O)c1ccccc1
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccc(C)o2)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CC(=O)N(C)Cc2ccc(C)o2)C1=O)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccc(C)o2)C1=O Cc1ccc(C[*:1])o1 CC[C@]1(NC(=O)N(CC(=O)N(C)[*:1])C1=O)c1ccccc1
CNC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)NC(=O)[C@@H](C)O[*:1]
CNC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 CNC(=O)[*:1] C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(N)=O)CC(=O)N3)cc1 NC(=O)[*:1] Cc1ccc(cc1)Nc1nc2NC(=O)C[C@H](c2c(=O)[nH]1)[*:1]
Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(N)=O)CC(=O)N3)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@H]1CC(=O)Nc2nc(N[*:1])[nH]c(=O)c21
CCN(CC)C(=O)CN1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)CC1 c1ccc(cc1)[*:1] CCN(CC)C(=O)CN1CCN(CC1)C(=O)N[C@H](C1CC1)[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)CC1 C1CC1[*:1] CCN(CC)C(=O)CN1CCN(CC1)C(=O)N[C@H](c1ccccc1)[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)CC1 CCN(CC)C(=O)C[*:1] O=C(N[C@H](c1ccccc1)C1CC1)N1CCN(CC1)[*:1]
CCN(CC)C(=O)CN1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)CC1 CCN(CC)C(=O)[*:1] O=C(N[C@H](c1ccccc1)C1CC1)N1CCN(CC1)C[*:1]
Cc1ccc(CSc2nc(C(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)C[*:1] CC(C)c1nc(S[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
Cc1ccc(CSc2nc(C(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)[*:1] CC(C)c1nc(SC[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
Cc1ccc(CSc2nc(C(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 CC(C)[*:1] Cc1ccc(cc1)CSc1nc(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
Cc1ccc(CNC(=S)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)CNC(=S)Nc1ccc2[nH+]c(cc(C)c2c1)[*:1]
Cc1ccc(CNC(=S)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=S)NC[*:1])N1CCOCC1
Cc1ccc(CNC(=S)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=S)N[*:1])N1CCOCC1
Cc1cccc(CN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)C2CC2)c1 O=C1CCC(=O)N1[*:1] Cc1cccc(c1)CN(C(=O)c1cccc(c1)[*:1])C1CC1
Cc1cccc(CN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)C2CC2)c1 Cc1cccc(c1)[*:1] O=C1CCC(=O)N1c1cccc(c1)C(=O)N(C[*:1])C1CC1
Cc1cccc(CN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(C(=O)c1cccc(c1)N1C(=O)CCC1=O)[*:1]
Cc1cccc(CN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)C2CC2)c1 Cc1cccc(c1)C[*:1] O=C1CCC(=O)N1c1cccc(c1)C(=O)N(C1CC1)[*:1]
Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(NS(=O)(=O)c4ccc(Cl)cc4)c23)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nn(c2ncnc(NS(=O)(=O)[*:1])c12)C(C)(C)C
Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(NS(=O)(=O)c4ccc(Cl)cc4)c23)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)n1nc(c2c(ncnc21)NS(=O)(=O)c1ccc(Cl)cc1)[*:1]
Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(NS(=O)(=O)c4ccc(Cl)cc4)c23)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)-c1nn(c2ncnc(NS(=O)(=O)c3ccc(Cl)cc3)c12)[*:1]
CN(CC(=O)NNC(=O)c1cccs1)Cc1cc(Br)cs1 Brc1csc(c1)C[*:1] CN(CC(=O)NNC(=O)c1cccs1)[*:1]
CN(CC(=O)NNC(=O)c1cccs1)Cc1cc(Br)cs1 c1csc(c1)[*:1] CN(CC(=O)NNC(=O)[*:1])Cc1cc(Br)cs1
CN(CC(=O)NNC(=O)c1cccs1)Cc1cc(Br)cs1 Brc1csc(c1)[*:1] CN(CC(=O)NNC(=O)c1cccs1)C[*:1]
COc1cc2cc(C(=O)n3ccnc3)n(C)c2cc1OC O=C(n1ccnc1)[*:1] COc1cc2cc(n(C)c2cc1OC)[*:1]
CC(C)N1C[C@@H](C(=O)N2CCC[C@H]2CN2CCOCC2)CC1=O C1CN(CCO1)[*:1] CC(C)N1C[C@H](CC1=O)C(=O)N1CCC[C@H]1C[*:1]
CC(C)N1C[C@@H](C(=O)N2CCC[C@H]2CN2CCOCC2)CC1=O C1CN(CCO1)C[*:1] CC(C)N1C[C@H](CC1=O)C(=O)N1CCC[C@@H]1[*:1]
CC(C)N1C[C@@H](C(=O)N2CCC[C@H]2CN2CCOCC2)CC1=O CC(C)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC[C@H]1CN1CCOCC1
CCOCOc1c(F)cc(C[C@@H]([NH3+])CC)cc1F CCO[*:1] CC[C@H]([NH3+])Cc1cc(F)c(OC[*:1])c(F)c1
CCOCOc1c(F)cc(C[C@@H]([NH3+])CC)cc1F CCOC[*:1] CC[C@H]([NH3+])Cc1cc(F)c(O[*:1])c(F)c1
CCOCOc1c(F)cc(C[C@@H]([NH3+])CC)cc1F CCOCO[*:1] CC[C@H]([NH3+])Cc1cc(F)c(c(F)c1)[*:1]
C[NH+](CCNC(=O)c1ccc(-c2cscn2)cc1)C1CCCC1 c1nc(cs1)[*:1] C[NH+](CCNC(=O)c1ccc(cc1)[*:1])C1CCCC1
C[NH+](CCNC(=O)c1ccc(-c2cscn2)cc1)C1CCCC1 C1CCC(C1)[*:1] C[NH+](CCNC(=O)c1ccc(cc1)-c1cscn1)[*:1]
CCOc1ccc(CC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1 CCO[*:1] Cc1nc2ccc3nc(NC(=O)Cc4ccc(cc4)[*:1])sc3c2s1
CS(=O)(=O)[C@H]1CCC[C@@H](Oc2ccccc2/C(N)=N/O)C1 CS(=O)(=O)[*:1] N/C(=N\O)c1ccccc1O[C@@H]1CCC[C@@H](C1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](Oc2ccccc2/C(N)=N/O)C1 N/C(=N\O)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)Oc1ccccc1[*:1]
CC(C)c1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)on1 CC(C)c1cc(on1)[*:1] c1cncc(c1)COc1cccc(c1)-c1noc(n1)[*:1]
CC(C)c1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)on1 c1cncc(c1)C[*:1] CC(C)c1cc(on1)-c1nc(no1)-c1cccc(c1)O[*:1]
CC(C)c1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)on1 CC(C)[*:1] c1cncc(c1)COc1cccc(c1)-c1noc(n1)-c1cc(no1)[*:1]
CC(C)c1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)on1 c1cncc(c1)[*:1] CC(C)c1cc(on1)-c1nc(no1)-c1cccc(c1)OC[*:1]
CC(C)c1cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)on1 c1cncc(c1)CO[*:1] CC(C)c1cc(on1)-c1nc(no1)-c1cccc(c1)[*:1]
S=C(NC[C@@H]1CCCO1)c1ccc(Cl)cc1 C1CO[C@@H](C1)[*:1] S=C(NC[*:1])c1ccc(Cl)cc1
NC(=O)[C@H]1CCN(C(=O)CCc2ccc(Cl)s2)c2ccccc21 Clc1ccc(C[*:1])s1 NC(=O)[C@H]1CCN(C(=O)C[*:1])c2ccccc21
NC(=O)[C@H]1CCN(C(=O)CCc2ccc(Cl)s2)c2ccccc21 NC(=O)[*:1] O=C(CCc1ccc(Cl)s1)N1CC[C@@H](c2ccccc21)[*:1]
NC(=O)[C@H]1CCN(C(=O)CCc2ccc(Cl)s2)c2ccccc21 Clc1ccc(s1)[*:1] NC(=O)[C@H]1CCN(C(=O)CC[*:1])c2ccccc21
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)ccc2O1 C[C@H]1Cc2cc(ccc2O1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(F)cc2)N1c1nccs1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)ccc2O1 Fc1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@H]1[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)ccc2O1 c1csc(n1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(F)cc1)[*:1]
CCOC(=O)[C@H](C)n1c(N)nc2c(OC)ncnc21 CCOC(=O)[*:1] COc1ncnc2c1nc(N)n2[C@@H](C)[*:1]
C[C@H](OC(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCCO1 Brc1ccc(cc1)[*:1] C[C@H](OC(=O)c1cnn(c1)[*:1])[C@@H]1CCCO1
CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(C(=O)c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] CC(=O)N1CCC[C@H](C1)c1ccccc1CC1(CCN(CC1)C(=O)[*:1])C(N)=O
CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(C(=O)c3ccccc3)CC2)C1 NC(=O)[*:1] CC(=O)N1CCC[C@H](C1)c1ccccc1CC1(CCN(CC1)C(=O)c1ccccc1)[*:1]
N#CCNC(=O)Cn1ccc(C(=O)[O-])c1 N#CC[*:1] O=C(Cn1ccc(c1)C(=O)[O-])N[*:1]
N#CCNC(=O)Cn1ccc(C(=O)[O-])c1 O=C([O-])[*:1] N#CCNC(=O)Cn1ccc(c1)[*:1]
CC(=O)c1c(C)nsc1NCCCN(C)c1ccccc1 CC(=O)[*:1] Cc1nsc(NCCCN(C)c2ccccc2)c1[*:1]
CC(=O)c1c(C)nsc1NCCCN(C)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1c(C)nsc1NCCCN(C)[*:1]
Cc1cccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1C Fc1ccc(cc1)[*:1] Cc1cccc(NC(=O)CN(S(C)(=O)=O)[*:1])c1C
Cc1cccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1C Cc1cccc(c1C)[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccc(F)cc1
Cc1ccccc1CCNC(=O)c1ccc(C[NH+](C)C)cc1 Cc1ccccc1[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)NCC[*:1]
Cc1ccccc1[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(C)C C1CC[C@@H](C[*:1])OC1 Cc1ccccc1[C@@H](NS(=O)(=O)[*:1])C(C)C
Cc1ccccc1[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NS(=O)(=O)C[C@@H]1CCCCO1)[*:1]
Cc1ccccc1[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)[*:1]
Cc1ccccc1[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(C)C C1CC[C@H](OC1)[*:1] Cc1ccccc1[C@@H](NS(=O)(=O)C[*:1])C(C)C
NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)s1 NS(=O)(=O)[*:1] O=C(NCc1ccc(s1)[*:1])[C@@H]1Cc2cc(Cl)ccc2O1
CC[C@@H](C)CS(=O)(=O)c1ccc(COC)cc1 CC[C@@H](C)[*:1] COCc1ccc(cc1)S(=O)(=O)C[*:1]
CC[C@@H](C)CS(=O)(=O)c1ccc(COC)cc1 CC[C@@H](C)C[*:1] COCc1ccc(cc1)S(=O)(=O)[*:1]
CC[C@@H](C)CS(=O)(=O)c1ccc(COC)cc1 COC[*:1] CC[C@@H](C)CS(=O)(=O)c1ccc(cc1)[*:1]
CC[NH+](CC)C1([C@@H](Cc2ccccc2C)NC)CCCC1 Cc1ccccc1[*:1] CC[NH+](CC)C1(CCCC1)[C@@H](C[*:1])NC
COC(=O)c1cc(Br)ccc1NC(=O)c1ccoc1 COC(=O)[*:1] O=C(Nc1ccc(Br)cc1[*:1])c1ccoc1
COC(=O)c1cc(Br)ccc1NC(=O)c1ccoc1 c1cc(co1)[*:1] COC(=O)c1cc(Br)ccc1NC(=O)[*:1]
O=C(CSc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1)c1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C(CSc1ccc(nn1)-c1ccc(cc1)[*:1])c1ccc(Cl)cc1
O=C(CSc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1ccc(nn1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1cc(C)n(-c2nc(C(C)C)cc(N3CCC(C[NH3+])CC3)n2)n1 Cc1cc(C)n(n1)[*:1] CC(C)c1cc(nc(n1)[*:1])N1CCC(C[NH3+])CC1
Cc1cc(C)n(-c2nc(C(C)C)cc(N3CCC(C[NH3+])CC3)n2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1nc(cc(n1)[*:1])N1CCC(C[NH3+])CC1
Cc1cc(C)n(-c2nc(C(C)C)cc(N3CCC(C[NH3+])CC3)n2)n1 [NH3+]CC1CCN(CC1)[*:1] Cc1cc(C)n(n1)-c1nc(cc(n1)[*:1])C(C)C
Cc1ccc(CNC(=O)C(=O)Nc2ccc(Br)nc2C)cc1 Cc1ccc(cc1)[*:1] Cc1nc(Br)ccc1NC(=O)C(=O)NC[*:1]
COCCNC(=O)c1cc(C)no1 COC[*:1] Cc1cc(on1)C(=O)NC[*:1]
COCCNC(=O)c1cc(C)no1 COCC[*:1] Cc1cc(on1)C(=O)N[*:1]
COc1ccc2c(c1)C=C(C(=O)NCCc1cccc(C(N)=O)c1)CO2 NC(=O)[*:1] COc1ccc2OCC(=Cc2c1)C(=O)NCCc1cccc(c1)[*:1]
Cc1ccccc1OCCCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 Cc1ccccc1[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)CCCO[*:1]
Cc1ccccc1OCCCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 Fc1ccc(cc1)[*:1] Cc1ccccc1OCCCC(=O)Nc1nc(c(C)s1)[*:1]
Cc1ccccc1OCCCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 Cc1ccccc1OC[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)CC[*:1]
Cc1ccccc1OCCCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 Cc1ccccc1O[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)CCC[*:1]
CN(CC1CCC1)[C@H](C[NH3+])c1cccc(C2CC2)c1 C1CC1[*:1] CN(CC1CCC1)[C@H](C[NH3+])c1cccc(c1)[*:1]
CN(CC1CCC1)[C@H](C[NH3+])c1cccc(C2CC2)c1 C1CC(C1)[*:1] CN(C[*:1])[C@H](C[NH3+])c1cccc(c1)C1CC1
CN(CC1CCC1)[C@H](C[NH3+])c1cccc(C2CC2)c1 C1CC(C1)C[*:1] CN([C@H](C[NH3+])c1cccc(c1)C1CC1)[*:1]
Cn1cc(Cl)cc1C(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] Cn1cc(Cl)cc1C(=O)N[C@H]1C=C[C@H](C1)[*:1]
Cc1c(Cl)cccc1-n1ncc(C(=O)NCCC(C)C)c1C1CC[NH2+]CC1 Cc1c(Cl)cccc1[*:1] CC(C)CCNC(=O)c1cnn(c1C1CC[NH2+]CC1)[*:1]
Cc1c(Cl)cccc1-n1ncc(C(=O)NCCC(C)C)c1C1CC[NH2+]CC1 CC(C)CCNC(=O)[*:1] Cc1c(Cl)cccc1-n1ncc(c1C1CC[NH2+]CC1)[*:1]
Cc1c(Cl)cccc1-n1ncc(C(=O)NCCC(C)C)c1C1CC[NH2+]CC1 CC(C)[*:1] Cc1c(Cl)cccc1-n1ncc(C(=O)NCC[*:1])c1C1CC[NH2+]CC1
Cc1c(Cl)cccc1-n1ncc(C(=O)NCCC(C)C)c1C1CC[NH2+]CC1 CC(C)C[*:1] Cc1c(Cl)cccc1-n1ncc(C(=O)NC[*:1])c1C1CC[NH2+]CC1
Cc1c(Cl)cccc1-n1ncc(C(=O)NCCC(C)C)c1C1CC[NH2+]CC1 CC(C)CC[*:1] Cc1c(Cl)cccc1-n1ncc(C(=O)N[*:1])c1C1CC[NH2+]CC1
CO[C@]1(C)C[C@H](N(C)C(=O)CCc2ccco2)C1(C)C c1coc(c1)[*:1] CO[C@]1(C)C[C@H](N(C)C(=O)CC[*:1])C1(C)C
CO[C@]1(C)C[C@H](N(C)C(=O)CCc2ccco2)C1(C)C c1coc(c1)C[*:1] CO[C@]1(C)C[C@H](N(C)C(=O)C[*:1])C1(C)C
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(cc1)[*:1]
C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(F)c1 c1cc2OCCOc2cc1[*:1] C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccc(F)c1
C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)c2ccc3OCCOc3c2)[C@H]1[*:1]
CCCO[C@@H]1CCCN(C(=O)NCc2cc(C)no2)C1 Cc1cc(on1)[*:1] CCCO[C@@H]1CCCN(C1)C(=O)NC[*:1]
CCCO[C@@H]1CCCN(C(=O)NCc2cc(C)no2)C1 CCC[*:1] Cc1cc(CNC(=O)N2CCC[C@H](C2)O[*:1])on1
CCCO[C@@H]1CCCN(C(=O)NCc2cc(C)no2)C1 CCCO[*:1] Cc1cc(CNC(=O)N2CCC[C@H](C2)[*:1])on1
CCN(CC(=O)NC(C)(C)C)C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] CCN(CC(=O)NC(C)(C)C)C(=O)NCC[*:1]
CCN(CC(=O)NC(C)(C)C)C(=O)NCCc1ccccc1 CC(C)(C)NC(=O)[*:1] CCN(C[*:1])C(=O)NCCc1ccccc1
CCN(CC(=O)NC(C)(C)C)C(=O)NCCc1ccccc1 CC(C)(C)[*:1] CCN(CC(=O)N[*:1])C(=O)NCCc1ccccc1
CCN(CC(=O)NC(C)(C)C)C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] CCN(CC(=O)NC(C)(C)C)C(=O)NC[*:1]
NC(=O)CCCCNC(=O)Cc1ccccc1Br NC(=O)C[*:1] O=C(Cc1ccccc1Br)NCCC[*:1]
NC(=O)CCCCNC(=O)Cc1ccccc1Br NC(=O)[*:1] O=C(Cc1ccccc1Br)NCCCC[*:1]
NC(=O)CCCCNC(=O)Cc1ccccc1Br NC(=O)CCC[*:1] O=C(Cc1ccccc1Br)NC[*:1]
NC(=O)CCCCNC(=O)Cc1ccccc1Br NC(=O)CC[*:1] O=C(Cc1ccccc1Br)NCC[*:1]
c1cc2nnc(C3CC3)n2nc1N1CCC[C@H]([NH+]2CCCCCC2)C1 C1CC1[*:1] c1cc2nnc(n2nc1N1CCC[C@@H](C1)[NH+]1CCCCCC1)[*:1]
CCONC(=O)c1sc(C(C)(C)c2ccccc2)nc1C CCONC(=O)[*:1] Cc1nc(sc1[*:1])C(C)(C)c1ccccc1
CCONC(=O)c1sc(C(C)(C)c2ccccc2)nc1C c1ccc(cc1)[*:1] CCONC(=O)c1sc(nc1C)C(C)(C)[*:1]
C[C@H]1CC(C(=O)Oc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Oc1cc(F)ccc1[*:1]
CC1CC(NS(=O)(=O)Cc2cccc(F)c2)C1 CC1CC(C1)[*:1] O=S(=O)(Cc1cccc(F)c1)N[*:1]
Cc1cc(=O)n(C)cc1NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1cc(=O)n(C)cc1NC(=O)C[C@@H](C)c1ccc(cc1)[*:1]
O=S(=O)(c1ccc(F)cc1F)N1CCN(C[C@H](O)C2CC2)CC1 C1CC1[*:1] O=S(=O)(c1ccc(F)cc1F)N1CCN(CC1)C[C@H](O)[*:1]
O=S(=O)(c1ccc(F)cc1F)N1CCN(C[C@H](O)C2CC2)CC1 O[C@@H](C[*:1])C1CC1 O=S(=O)(c1ccc(F)cc1F)N1CCN(CC1)[*:1]
CCc1nnsc1C(=O)N[C@@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCc1nnsc1C(=O)N[C@@H](C)[*:1]
Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 Cc1ccc(C)c(c1)[*:1] Cc1nnc(SCC(=O)N[C@@H](c2ccccc2)c2ccccn2)n1[*:1]
Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 c1ccc(nc1)[*:1] Cc1ccc(C)c(c1)-n1c(C)nnc1SCC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)-n1c(C)nnc1SCC(=O)N[C@@H](c1ccccn1)[*:1]
C[NH2+][C@H](c1ccn(CC(=O)NC(C)(C)C)c1)C(C)C CC(C)[*:1] C[NH2+][C@H](c1ccn(c1)CC(=O)NC(C)(C)C)[*:1]
C[NH2+][C@H](c1ccn(CC(=O)NC(C)(C)C)c1)C(C)C CC(C)(C)[*:1] C[NH2+][C@H](c1ccn(c1)CC(=O)N[*:1])C(C)C
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCc2c(O)cccc21 c1coc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])N[C@@H]1CCc2c(O)cccc21
Cc1cc(F)ccc1CCNS(=O)(=O)c1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1cc(F)ccc1CCNS(=O)(=O)c1ccc(cc1)[*:1]
N#CCSc1cccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 N#CC[*:1] O=C(c1cccc(c1)S[*:1])N1C[C@@H]2CCCC[C@H]2C1
N#CCSc1cccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 N#CCS[*:1] O=C(c1cccc(c1)[*:1])N1C[C@@H]2CCCC[C@H]2C1
CCn1c(=O)c(N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)nc2cccnc21 CC1CCN(CC1)C(=O)[*:1] CCn1c(=O)c(nc2cccnc21)N1CCC[C@H](C1)[*:1]
CN(Cc1ccccc1C(F)(F)F)C(=O)NCCc1cccc(F)c1 Fc1cccc(c1)C[*:1] CN(Cc1ccccc1C(F)(F)F)C(=O)NC[*:1]
CN(Cc1ccccc1C(F)(F)F)C(=O)NCCc1cccc(F)c1 FC(F)(F)[*:1] CN(Cc1ccccc1[*:1])C(=O)NCCc1cccc(F)c1
CN(Cc1ccccc1C(F)(F)F)C(=O)NCCc1cccc(F)c1 Fc1cccc(c1)[*:1] CN(Cc1ccccc1C(F)(F)F)C(=O)NCC[*:1]
CCc1nc(N(C)Cc2nc(-c3ccccc3)no2)no1 c1ccc(cc1)[*:1] CCc1nc(no1)N(C)Cc1nc(no1)[*:1]
CCc1nc(N(C)Cc2nc(-c3ccccc3)no2)no1 CCc1nc(no1)[*:1] CN(Cc1nc(no1)-c1ccccc1)[*:1]
C[C@@H](O)C1CCN(C(=O)[C@H]2COc3ccc(F)cc3C2)CC1 C[C@@H](O)[*:1] O=C([C@H]1COc2ccc(F)cc2C1)N1CCC(CC1)[*:1]
Cc1c(C(=O)NC[C@H]2COc3ccccc3O2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc12 c1ccc2O[C@H](COc2c1)[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)C(=O)NC[*:1]
Cc1c(C(=O)NC[C@H]2COc3ccccc3O2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc12 c1ccc2O[C@H](COc2c1)C[*:1] Cc1c(oc2ccc(cc12)S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)C(=O)N[*:1]
CC(=O)c1cc(F)ccc1OS(=O)(=O)c1c(C)noc1C CC(=O)[*:1] Cc1noc(C)c1S(=O)(=O)Oc1ccc(F)cc1[*:1]
CC(=O)c1cc(F)ccc1OS(=O)(=O)c1c(C)noc1C Cc1noc(C)c1[*:1] CC(=O)c1cc(F)ccc1OS(=O)(=O)[*:1]
CC(C)CN(c1cccc(Cl)c1/C(N)=N/O)C1CCCC1 CC(C)[*:1] N/C(=N\O)c1c(Cl)cccc1N(C[*:1])C1CCCC1
CC(C)CN(c1cccc(Cl)c1/C(N)=N/O)C1CCCC1 CC(C)C[*:1] N/C(=N\O)c1c(Cl)cccc1N(C1CCCC1)[*:1]
CC(C)CN(c1cccc(Cl)c1/C(N)=N/O)C1CCCC1 N/C(=N\O)[*:1] CC(C)CN(c1cccc(Cl)c1[*:1])C1CCCC1
CC(C)CN(c1cccc(Cl)c1/C(N)=N/O)C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(c1cccc(Cl)c1/C(N)=N/O)[*:1]
CC(C)(C)[NH2+]CC(=O)N[C@@H]1CCS(=O)(=O)C1 CC(C)(C)[*:1] O=C(C[NH2+][*:1])N[C@@H]1CCS(=O)(=O)C1
C[NH+](C)C[C@@H]1CCCC[C@H]1NC(=O)c1ccn(COc2ccccc2Cl)n1 Clc1ccccc1O[*:1] C[NH+](C)C[C@@H]1CCCC[C@H]1NC(=O)c1ccn(C[*:1])n1
C[NH+](C)C[C@@H]1CCCC[C@H]1NC(=O)c1ccn(COc2ccccc2Cl)n1 Clc1ccccc1OC[*:1] C[NH+](C)C[C@@H]1CCCC[C@H]1NC(=O)c1ccn(n1)[*:1]
C[NH+](C)C[C@@H]1CCCC[C@H]1NC(=O)c1ccn(COc2ccccc2Cl)n1 Clc1ccccc1[*:1] C[NH+](C)C[C@@H]1CCCC[C@H]1NC(=O)c1ccn(CO[*:1])n1
CCOc1ccc2cc(C(=O)NNC(=O)[C@@H](C)Oc3ccc4ccccc4c3)[nH]c2c1 CCO[*:1] C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cc2ccc(cc2[nH]1)[*:1]
CCOc1ccc2cc(C(=O)NNC(=O)[C@@H](C)Oc3ccc4ccccc4c3)[nH]c2c1 c1ccc2cc(ccc2c1)[*:1] CCOc1ccc2cc([nH]c2c1)C(=O)NNC(=O)[C@@H](C)O[*:1]
Cc1nc(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)sc1C Cc1nc(sc1C)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)C(=O)NC[*:1]
CS(=O)(=O)CC[C@H](O)[C@H]1CSCCS1 CS(=O)(=O)[*:1] O[C@@H](CC[*:1])[C@H]1CSCCS1
CC(C)(C)CCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O CC(C)(C)CC[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[*:1]
CC(C)(C)CCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O CC(C)(C)C[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC[*:1]
CC(C)(C)CCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O CC(C)(C)[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCC[*:1]
Cc1cc(=O)n([C@@H](C)C(=O)Nc2nnc(C3CCCCC3)s2)c2ccccc12 C1CCC(CC1)[*:1] Cc1cc(=O)n(c2ccccc12)[C@@H](C)C(=O)Nc1nnc(s1)[*:1]
CC1=Nn2c(nc(-c3ccccc3)c2-c2ccccc2)NC(=O)[C@@H]1Br c1ccc(cc1)[*:1] CC1=Nn2c(nc(c2-c2ccccc2)[*:1])NC(=O)[C@@H]1Br
CC1=Nn2c(nc(-c3ccccc3)c2-c2ccccc2)NC(=O)[C@@H]1Br c1ccc(cc1)[*:1] CC1=Nn2c(nc(-c3ccccc3)c2[*:1])NC(=O)[C@@H]1Br
COCCN1C[C@H](C(=O)NCc2ccc(Cl)s2)CC1=O COC[*:1] O=C(NCc1ccc(Cl)s1)[C@@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@H](C(=O)NCc2ccc(Cl)s2)CC1=O Clc1ccc(s1)[*:1] COCCN1C[C@@H](CC1=O)C(=O)NC[*:1]
COCCN1C[C@H](C(=O)NCc2ccc(Cl)s2)CC1=O COCC[*:1] O=C(NCc1ccc(Cl)s1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N[*:1]
CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1 CC(C)NC(=O)N[*:1] O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(cc1)[*:1]
CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC(C)NC(=O)Nc1ccc(cc1)C(=O)N[C@@H]1C[C@H]1[*:1]
CC(=O)NC[C@H](c1c(F)cccc1F)N(C)C CN(C)[*:1] CC(=O)NC[C@H](c1c(F)cccc1F)[*:1]
CC(=O)NC[C@H](c1c(F)cccc1F)N(C)C CC(=O)NC[*:1] CN(C)[C@@H](c1c(F)cccc1F)[*:1]
CC(=O)NC[C@H](c1c(F)cccc1F)N(C)C CC(=O)N[*:1] CN(C)[C@H](C[*:1])c1c(F)cccc1F
O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc2cn[nH]c12 c1cc(c2[nH]ncc2c1)[*:1] O=C([C@H](CNC(=O)[*:1])c1ccccc1)N1CCOCC1
O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc2cn[nH]c12 O=C(N1CCOCC1)[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])c1cccc2cn[nH]c12
O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc2cn[nH]c12 c1ccc(cc1)[*:1] O=C(NC[C@@H](C(=O)N1CCOCC1)[*:1])c1cccc2cn[nH]c12
CCOc1ccccc1Nc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CCOc1ccccc1Nc1ncnc(c1[N+](=O)[O-])N1CCN(CC1)[*:1]
CCOc1ccccc1Nc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] CCO[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)c1ccccc1)Nc1ccccc1[*:1]
CCOc1ccccc1Nc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] CCOc1ccccc1N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1ccccc1
CCOc1ccccc1Nc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] CCOc1ccccc1[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)c1ccccc1)N[*:1]
CCOc1ccccc1Nc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccccc1Nc1ncnc(c1[*:1])N1CCN(CC1)c1ccccc1
COc1ccc(-c2nc(C(=O)Nc3cc(C(C)C)on3)c(C)o2)cc1 CC(C)c1cc(no1)[*:1] COc1ccc(cc1)-c1nc(C(=O)N[*:1])c(C)o1
COc1ccc(-c2nc(C(=O)Nc3cc(C(C)C)on3)c(C)o2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nc(C(=O)Nc2cc(on2)[*:1])c(C)o1
COc1ccc(-c2nc(C(=O)Nc3cc(C(C)C)on3)c(C)o2)cc1 COc1ccc(cc1)[*:1] Cc1oc(nc1C(=O)Nc1cc(on1)C(C)C)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2CCN(C(=O)C3CC3)CC2)nc1 C1CC1[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc(nc1)NC1CCN(CC1)C(=O)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2CCN(C(=O)C3CC3)CC2)nc1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1ccc(nc1)NC1CCN(CC1)C(=O)C1CC1)[*:1]
CCc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1 c1ccc(nc1)[*:1] CCc1ccc(cc1)-c1cc(C(=O)NC[*:1])c2ccccc2n1
CCc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1 CCc1ccc(cc1)[*:1] O=C(NCc1ccccn1)c1cc(nc2ccccc12)[*:1]
CCc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1 c1ccc(C[*:1])nc1 CCc1ccc(cc1)-c1cc(C(=O)N[*:1])c2ccccc2n1
CC(=O)Nc1c(C)cc(NC(=O)[C@@H](C)c2ccc(Cl)s2)cc1C Clc1ccc(s1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)[C@@H](C)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)[C@@H](C)c2ccc(Cl)s2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)[C@@H](C)c1ccc(Cl)s1
CCn1nc(C)cc1C(=O)NCc1nc(-c2ccccc2NC(=O)C2CCC2)oc1C CCn1nc(C)cc1[*:1] Cc1oc(nc1CNC(=O)[*:1])-c1ccccc1NC(=O)C1CCC1
CCn1nc(C)cc1C(=O)NCc1nc(-c2ccccc2NC(=O)C2CCC2)oc1C C1CC(C1)[*:1] CCn1nc(C)cc1C(=O)NCc1nc(oc1C)-c1ccccc1NC(=O)[*:1]
CCn1nc(C)cc1C(=O)NCc1nc(-c2ccccc2NC(=O)C2CCC2)oc1C O=C(N[*:1])C1CCC1 CCn1nc(C)cc1C(=O)NCc1nc(oc1C)-c1ccccc1[*:1]
CCN(CC[NH2+]C(C)C)C[C@@H]1CN(C)CCO1 CC(C)[*:1] CCN(CC[NH2+][*:1])C[C@@H]1CN(C)CCO1
O=C(Nc1ccc(Cc2ccncc2)cc1)Nc1ccc(Cc2ccncc2)cc1 c1cc(ccn1)[*:1] O=C(Nc1ccc(cc1)Cc1ccncc1)Nc1ccc(cc1)C[*:1]
O=C(Nc1ccc(Cc2ccncc2)cc1)Nc1ccc(Cc2ccncc2)cc1 c1cc(ccn1)C[*:1] O=C(Nc1ccc(cc1)Cc1ccncc1)Nc1ccc(cc1)[*:1]
C=CCC1(O)CC[N+](C)(C)CC1 C=CC[*:1] C[N+]1(C)CCC(O)(CC1)[*:1]
C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cn2)C[C@@H](C)O1 FC(F)O[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccc(cn1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cn2)C[C@@H](C)O1 FC(F)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccc(cn1)C(=O)Nc1ccc(cc1)O[*:1]
COc1cccc(C(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c1 O=C([O-])[*:1] COc1cccc(c1)C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CC#CCn1c(-c2ccc(OC)c(OC)c2)noc1=O CC#CC[*:1] COc1ccc(cc1OC)-c1noc(=O)n1[*:1]
CC#CCn1c(-c2ccc(OC)c(OC)c2)noc1=O CC#C[*:1] COc1ccc(cc1OC)-c1noc(=O)n1C[*:1]
O=C(CSCc1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] Clc1cccc(c1)[*:1] O=C(CSC[*:1])Nc1ccccc1[N+](=O)[O-]
O=C(CSCc1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CSCc1cccc(Cl)c1)Nc1ccccc1[*:1]
CCCNC(=O)c1cccc(CNC(=O)C(=O)Nc2cc(C)on2)c1 CCC[*:1] Cc1cc(no1)NC(=O)C(=O)NCc1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(CNC(=O)C(=O)Nc2cc(C)on2)c1 Cc1cc(no1)[*:1] CCCNC(=O)c1cccc(c1)CNC(=O)C(=O)N[*:1]
CCCNC(=O)c1cccc(CNC(=O)C(=O)Nc2cc(C)on2)c1 CCCNC(=O)[*:1] Cc1cc(no1)NC(=O)C(=O)NCc1cccc(c1)[*:1]
COC[C@@H](Nc1nc(OC)ncc1Cl)c1ccccc1 COC[*:1] COc1ncc(Cl)c(n1)N[C@@H](c1ccccc1)[*:1]
COC[C@@H](Nc1nc(OC)ncc1Cl)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@H](Nc1nc(ncc1Cl)OC)[*:1]
COc1ccc(C(=O)Oc2cccc(N3CCCC3=O)c2)cc1 O=C1CCCN1[*:1] COc1ccc(cc1)C(=O)Oc1cccc(c1)[*:1]
CC(=O)[C@@H](C)CSc1nnc(-c2ccc(C)cc2)o1 CC(=O)[*:1] Cc1ccc(cc1)-c1nnc(o1)SC[C@H](C)[*:1]
CN(C)c1ccc(C(=O)N2C[C@@H](C[NH+]3CCCCC3)[C@@H](CO)C2)cc1 CN(C)[*:1] O=C(c1ccc(cc1)[*:1])N1C[C@@H](C[NH+]2CCCCC2)[C@@H](CO)C1
CCN(Cc1cccc(C)c1)C(=O)Nc1ccccc1N1CCCC1=O Cc1cccc(c1)C[*:1] CCN(C(=O)Nc1ccccc1N1CCCC1=O)[*:1]
CCN(Cc1cccc(C)c1)C(=O)Nc1ccccc1N1CCCC1=O Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)Nc1ccccc1N1CCCC1=O
CCN(Cc1cccc(C)c1)C(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] CCN(Cc1cccc(C)c1)C(=O)Nc1ccccc1[*:1]
CCCn1c(C)nn(CN2CCO[C@@H](c3ccccc3Cl)C2)c1=S CCC[*:1] Cc1nn(CN2CCO[C@H](C2)c2ccccc2Cl)c(=S)n1[*:1]
CCCn1c(C)nn(CN2CCO[C@@H](c3ccccc3Cl)C2)c1=S Clc1ccccc1[*:1] CCCn1c(C)nn(CN2CCO[C@@H](C2)[*:1])c1=S
COc1ccccc1C(=O)N1CCC[C@H](c2ncccc2S(C)(=O)=O)C1 CS(=O)(=O)[*:1] COc1ccccc1C(=O)N1CCC[C@@H](C1)c1ncccc1[*:1]
COc1ccccc1C(=O)N1CCC[C@H](c2ncccc2S(C)(=O)=O)C1 COc1ccccc1[*:1] CS(=O)(=O)c1cccnc1[C@H]1CCCN(C1)C(=O)[*:1]
CN(CCOc1ccccc1)C(=O)Nc1cccnc1-n1cncn1 c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)Nc1cccnc1-n1cncn1
CN(CCOc1ccccc1)C(=O)Nc1cccnc1-n1cncn1 c1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)Nc1cccnc1-n1cncn1
CN(CCOc1ccccc1)C(=O)Nc1cccnc1-n1cncn1 c1ncn(n1)[*:1] CN(CCOc1ccccc1)C(=O)Nc1cccnc1[*:1]
CN(CCOc1ccccc1)C(=O)Nc1cccnc1-n1cncn1 c1ccc(cc1)OC[*:1] CN(C[*:1])C(=O)Nc1cccnc1-n1cncn1
CC(=O)Nc1cccc(NC(=O)CNC(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(=O)Nc1cccc(c1)NC(=O)CNC(=O)[*:1]
CC(=O)Nc1cccc(NC(=O)CNC(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CNC(=O)C[*:1]
CC(=O)Nc1cccc(NC(=O)CNC(=O)Cc2ccccc2)c1 CC(=O)N[*:1] O=C(Cc1ccccc1)NCC(=O)Nc1cccc(c1)[*:1]
Cc1cnc(C(C)(C)NS(=O)(=O)c2cc(F)cc(F)c2)s1 Cc1cnc(s1)[*:1] CC(C)(NS(=O)(=O)c1cc(F)cc(F)c1)[*:1]
CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)c2occc2-c2ccccc2)C1 c1ccc(cc1)[*:1] CS(=O)(=O)[C@@H]1CC[C@H](C1)OC(=O)c1occc1[*:1]
CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)c2occc2-c2ccccc2)C1 CS(=O)(=O)[*:1] O=C(O[C@@H]1CC[C@H](C1)[*:1])c1occc1-c1ccccc1
Cc1nc2ccc(N(C)C(=O)CCc3c(F)cccc3F)cc2s1 Fc1cccc(F)c1[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)CC[*:1]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=C([O-])CCC[*:1] O=C1C(=O)N([C@@H](/C1=C(/O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C([O-])CCCN1C(=O)C(=O)/C(=C(\O)[*:1])[C@H]1c1ccc(cc1)[N+](=O)[O-]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=C([O-])CC[*:1] O=C1C(=O)N(C[*:1])[C@@H](/C1=C(/O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C([O-])CCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@H]1c1ccc(cc1)[*:1]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=C([O-])C[*:1] O=C1C(=O)N(CC[*:1])[C@@H](/C1=C(/O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=C([O-])[*:1] O=C1C(=O)N(CCC[*:1])[C@@H](/C1=C(/O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C([O-])CCCN1C(=O)C(=O)/C(=C(\O)c2ccccc2)[C@@H]1[*:1]
CCc1ccc(C2=CCN(C(=O)C3CCN(C(=O)C(C)(C)C)CC3)CC2)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)C1CCN(CC1)C(=O)[*:1]
CCc1ccc(C2=CCN(C(=O)C3CCN(C(=O)C(C)(C)C)CC3)CC2)cc1 CCc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)N1CC=C(CC1)[*:1]
Cc1cccc(CCNC(=O)[C@H]2C=C3C(=O)[NH+]=c4ccccc4=C3S2)c1 Cc1cccc(c1)C[*:1] O=C1[NH+]=c2ccccc2=C2S[C@H](C=C12)C(=O)NC[*:1]
Cc1cccc(CCNC(=O)[C@H]2C=C3C(=O)[NH+]=c4ccccc4=C3S2)c1 Cc1cccc(c1)[*:1] O=C1[NH+]=c2ccccc2=C2S[C@H](C=C12)C(=O)NCC[*:1]
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OC(F)F)c2)C1 FC(F)O[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OC(F)F)c2)C1 FC(F)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1cccc(c1)O[*:1]
Cn1c(Cl)cnc1COC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 Cn1c(Cl)cnc1[*:1] O=C(OC[*:1])[C@H]1C[C@H]1c1ccc(F)cc1
Cn1c(Cl)cnc1COC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1c(Cl)cnc1COC(=O)[C@H]1C[C@@H]1[*:1]
CCc1noc(CC)c1CNC(=O)NCC(C)(C)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCc1noc(CC)c1CNC(=O)NCC(C)(C)[*:1]
CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC c1ccc(cc1)[*:1] CCOc1ccc(cc1OC)NC(=O)c1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])NC(=O)c1ccc(cc1)-c1ccccc1
O/N=C/c1c(-c2ccc(Cl)cc2)nc2sccn12 ON=C[*:1] Clc1ccc(cc1)-c1nc2sccn2c1[*:1]
CCC(=O)N1CCC[C@@H](c2ccnc(-c3cccc(F)c3)n2)C1 Fc1cccc(c1)[*:1] CCC(=O)N1CCC[C@H](C1)c1ccnc(n1)[*:1]
Cc1ccc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c(O)c1 C1CO[C@@H](C1)CO[*:1] Cc1ccc(C(=O)N2CCC(CC2)[*:1])c(O)c1
Cc1ccc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c(O)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(C(=O)N2CCC(CC2)OC[*:1])c(O)c1
CCS(=O)(=O)c1c(S(=O)(=O)CC)c2c3ccccc3ccn2c1C(=O)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] CCS(=O)(=O)c1c(c2c3ccccc3ccn2c1[*:1])S(=O)(=O)CC
CCS(=O)(=O)c1c(S(=O)(=O)CC)c2c3ccccc3ccn2c1C(=O)c1ccc(Cl)cc1 CCS(=O)(=O)[*:1] CCS(=O)(=O)c1c(c(C(=O)c2ccc(Cl)cc2)n2ccc3ccccc3c12)[*:1]
CCS(=O)(=O)c1c(S(=O)(=O)CC)c2c3ccccc3ccn2c1C(=O)c1ccc(Cl)cc1 CCS(=O)(=O)[*:1] CCS(=O)(=O)c1c(c2c3ccccc3ccn2c1C(=O)c1ccc(Cl)cc1)[*:1]
CCS(=O)(=O)c1c(S(=O)(=O)CC)c2c3ccccc3ccn2c1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCS(=O)(=O)c1c(c2c3ccccc3ccn2c1C(=O)[*:1])S(=O)(=O)CC
CCOC1=C[C@@H](c2ccc(F)cc2)Oc2ccccc21 CCO[*:1] Fc1ccc(cc1)[C@@H]1C=C(c2ccccc2O1)[*:1]
CC[C@H](C(=O)Nc1cccc([S@@](C)=O)c1)N1CCCC1=O O=C1CCCN1[*:1] CC[C@H](C(=O)Nc1cccc(c1)[S@@](C)=O)[*:1]
CC[C@H](C(=O)Nc1cccc([S@@](C)=O)c1)N1CCCC1=O C[S@@](=O)[*:1] CC[C@H](C(=O)Nc1cccc(c1)[*:1])N1CCCC1=O
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 Cc1cccc(C)c1[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)N[*:1]
CCCNc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(Cl)cc1 CCS(=O)(=O)[*:1] CCCNc1sc(nc1S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CCCNc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(Cl)cc1 CCC[*:1] CCS(=O)(=O)c1nc(c(N[*:1])s1)S(=O)(=O)c1ccc(Cl)cc1
CCCNc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(Cl)cc1 CCCN[*:1] CCS(=O)(=O)c1nc(c(s1)[*:1])S(=O)(=O)c1ccc(Cl)cc1
CCCNc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCNc1sc(nc1S(=O)(=O)[*:1])S(=O)(=O)CC
O=C1N(Cc2nnc(-c3ccccc3)o2)c2ccccc2C12OCCCO2 c1ccc(cc1)[*:1] O=C1N(Cc2nnc(o2)[*:1])c2ccccc2C12OCCCO2
O=C1c2sccc2[C@@H]2[C@H]1N2C(=O)C(F)(F)F FC(F)(F)[*:1] O=C1c2sccc2[C@@H]2[C@H]1N2C(=O)[*:1]
CC(C)c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n(C)n1 CC(C)c1cc(n(C)n1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c[nH+]1)CNC(=O)[*:1]
CC(C)c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n(C)n1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c[nH+]1)CNC(=O)c1cc(nn1C)[*:1]
O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@H]1c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@@H]1[*:1]
NC(=O)NC(=O)[C@H]([NH2+]C1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)NC(=O)[C@H]([NH2+]C1CCCC1)[*:1]
NC(=O)NC(=O)[C@H]([NH2+]C1CCCC1)c1ccccc1 C1CCC(C1)[*:1] NC(=O)NC(=O)[C@H]([NH2+][*:1])c1ccccc1
NC(=O)NC(=O)[C@H]([NH2+]C1CCCC1)c1ccccc1 NC(=O)NC(=O)[*:1] c1ccc(cc1)[C@@H]([NH2+]C1CCCC1)[*:1]
CC(=O)c1ccccc1NC(=O)CNc1cccc2ccccc12 CC(=O)[*:1] O=C(CNc1cccc2ccccc12)Nc1ccccc1[*:1]
CCN(C(=O)Nc1ccc(C(=O)NC)cc1)[C@@H](C)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] CCN(C(=O)Nc1ccc(cc1)C(=O)NC)[C@@H](C)[*:1]
CCN(C(=O)Nc1ccc(C(=O)NC)cc1)[C@@H](C)c1cc2ccccc2o1 CNC(=O)[*:1] CCN(C(=O)Nc1ccc(cc1)[*:1])[C@@H](C)c1cc2ccccc2o1
O=C(Cn1sc2cc([N+](=O)[O-])ccc2c1=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cn1sc2cc(ccc2c1=O)[N+](=O)[O-])Nc1cccc(c1)[*:1]
O=C(Cn1sc2cc([N+](=O)[O-])ccc2c1=O)Nc1cccc(C(F)(F)F)c1 O=[N+]([O-])[*:1] O=C(Cn1sc2cc(ccc2c1=O)[*:1])Nc1cccc(c1)C(F)(F)F
O=C([C@H]1CCS(=O)(=O)C1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(N1CCC(CC1)[C@@H]1C[C@H](C(F)F)n2ncnc2N1)[*:1]
O=C([C@H]1CCS(=O)(=O)C1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 FC(F)[*:1] O=C([C@H]1CCS(=O)(=O)C1)N1CCC(CC1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
O=C(Cc1ccccc1NC(=O)c1cccc2ccoc12)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cc1ccccc1NC(=O)c1cccc2ccoc12)N[*:1]
O=C(Cc1ccccc1NC(=O)c1cccc2ccoc12)NC1CCCC1 c1cc(c2occc2c1)[*:1] O=C(Cc1ccccc1NC(=O)[*:1])NC1CCCC1
O=C(Cc1ccccc1NC(=O)c1cccc2ccoc12)NC1CCCC1 O=C(C[*:1])NC1CCCC1 O=C(Nc1ccccc1[*:1])c1cccc2ccoc12
O=C(Cc1ccccc1NC(=O)c1cccc2ccoc12)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C(Nc1ccccc1C[*:1])c1cccc2ccoc12
C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 O=[N+]([O-])[*:1] C[C@H]1[NH2+]CC[C@@H]1c1nc(no1)-c1ccc(cc1)[*:1]
O=C(C=C1CCSCC1)N[C@H](Cc1ccccc1)C(=O)N1CCCCC1 c1ccc(cc1)C[*:1] O=C(C=C1CCSCC1)N[C@H](C(=O)N1CCCCC1)[*:1]
O=C(C=C1CCSCC1)N[C@H](Cc1ccccc1)C(=O)N1CCCCC1 c1ccc(cc1)[*:1] O=C(C=C1CCSCC1)N[C@H](C[*:1])C(=O)N1CCCCC1
O=C(C=C1CCSCC1)N[C@H](Cc1ccccc1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(C=C1CCSCC1)N[C@H](Cc1ccccc1)[*:1]
O=C(Nc1ccc(Cl)cc1)N(Cc1ccncc1)C[C@H]1CCCO1 Clc1ccc(cc1)[*:1] O=C(N[*:1])N(Cc1ccncc1)C[C@H]1CCCO1
O=C(Nc1ccc(Cl)cc1)N(Cc1ccncc1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(Nc1ccc(Cl)cc1)N(Cc1ccncc1)[*:1]
O=C(Nc1ccc(Cl)cc1)N(Cc1ccncc1)C[C@H]1CCCO1 c1cc(ccn1)[*:1] O=C(Nc1ccc(Cl)cc1)N(C[C@H]1CCCO1)C[*:1]
O=C(Nc1ccc(Cl)cc1)N(Cc1ccncc1)C[C@H]1CCCO1 c1cc(ccn1)C[*:1] O=C(Nc1ccc(Cl)cc1)N(C[C@H]1CCCO1)[*:1]
CC(C)[C@@H](C)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 CC(C)[C@@H](C)[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)CNC(=O)N[*:1]
CC(C)[C@@H](C)NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 CC(C)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)CN1CC[NH+](C)CC1)[*:1]
CCOc1cc([C@H]2C(C(=O)OC)=C(C)Nc3ncnn32)ccc1OC CCO[*:1] COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c(c1)[*:1]
CCOc1cc([C@H]2C(C(=O)OC)=C(C)Nc3ncnn32)ccc1OC COC(=O)[*:1] CCOc1cc(ccc1OC)[C@H]1C(=C(C)Nc2ncnn21)[*:1]
CCS(=O)(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
O=C(C[C@H]1S/C(=N/c2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(C[C@H]1S/C(=N/c2ccccc2)N(C[C@@H]2CCCO2)C1=O)N[*:1]
O=C(C[C@H]1S/C(=N/c2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 O=C(Nc1cccc(Cl)c1)[*:1] O=C1[C@@H](C[*:1])S/C(=N/c2ccccc2)N1C[C@@H]1CCCO1
O=C(C[C@H]1S/C(=N/c2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 C1CO[C@@H](C1)[*:1] O=C(C[C@H]1S/C(=N/c2ccccc2)N(C[*:1])C1=O)Nc1cccc(Cl)c1
O=C(C[C@H]1S/C(=N/c2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 C1CO[C@@H](C1)C[*:1] O=C(C[C@H]1S/C(=N/c2ccccc2)N(C1=O)[*:1])Nc1cccc(Cl)c1
O=C(C[C@H]1S/C(=N/c2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(C[C@H]1SC(=N[*:1])N(C[C@@H]2CCCO2)C1=O)Nc1cccc(Cl)c1
O=C([O-])CCC[C@@H](O)C(=O)[O-] O=C([O-])[*:1] O=C([O-])CCC[C@@H](O)[*:1]
O=C([O-])CCC[C@@H](O)C(=O)[O-] O=C([O-])[*:1] O=C([O-])[C@H](O)CCC[*:1]
Cc1cc(Oc2cncc(Cl)c2)c([C@H](C)O)cc1F C[C@H](O)[*:1] Cc1cc(Oc2cncc(Cl)c2)c(cc1F)[*:1]
C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)CC1(C)OCCO1 CC1(OCCO1)[*:1] C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)C[*:1]
C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)CC1(C)OCCO1 CC1(C[*:1])OCCO1 C[C@@H](CNC1=NS(=O)(=O)c2ccccc21)[*:1]
CCOc1cccc([C@]2([NH3+])CCCC[C@@H]2CC)c1 CCO[*:1] CC[C@H]1CCCC[C@@]1([NH3+])c1cccc(c1)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1c(C)nn(-c2ccccc2)c1C Cc1cccc(C)c1[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC(=O)N[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1c(C)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)c1c(C)nn(c1C)[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2C1=O COC[*:1] O=C(Nc1cc(Cl)ccc1F)c1ccc2C(=O)N(CC[*:1])C(=O)c2c1
COCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2C1=O COCCC[*:1] O=C(Nc1cc(Cl)ccc1F)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2C1=O Fc1ccc(Cl)cc1[*:1] COCCCN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2C1=O COCC[*:1] O=C(Nc1cc(Cl)ccc1F)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CC[C@@H](C(=O)[O-])O1 O=C([O-])[*:1] O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CC[C@@H](O1)[*:1]
CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(OCC(N)=O)cc1 NC(=O)[*:1] CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(cc1)OC[*:1]
CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(OCC(N)=O)cc1 CC[C@H](C)[*:1] NC(=O)COc1ccc(cc1)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(OCC(N)=O)cc1 NC(=O)CO[*:1] CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(cc1)[*:1]
CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(OCC(N)=O)cc1 NC(=O)C[*:1] CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(cc1)O[*:1]
Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCCC2)o1 Cc1ccc(C[*:1])o1 C[C@]1(Cn2c(ccc2-c2ccco2)C(=O)N1[*:1])C(=O)NC1CCCCCC1
Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCCC2)o1 C1CCCC(CC1)[*:1] Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)N[*:1])o1
Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCCC2)o1 Cc1ccc(o1)[*:1] C[C@]1(Cn2c(ccc2-c2ccco2)C(=O)N1C[*:1])C(=O)NC1CCCCCC1
Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCCC2)o1 O=C(NC1CCCCCC1)[*:1] Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)[*:1])o1
Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCCC2)o1 c1coc(c1)[*:1] Cc1ccc(CN2C(=O)c3ccc(n3C[C@@]2(C)C(=O)NC2CCCCCC2)[*:1])o1
C[C@@H]1CCCCN1c1ccc(S(C)(=O)=O)c(N)c1 CS(=O)(=O)[*:1] C[C@@H]1CCCCN1c1ccc(c(N)c1)[*:1]
Cc1ccccc1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 Cc1ccccc1[*:1] O=C(Nc1ccc(F)c(c1)-c1nnc2CCCCCn21)[*:1]
CC[C@@H](NC(=O)[C@@H](C)CCOC)c1ccc(Br)cc1 COC[*:1] CC[C@@H](NC(=O)[C@@H](C)C[*:1])c1ccc(Br)cc1
CC[C@@H](NC(=O)[C@@H](C)CCOC)c1ccc(Br)cc1 COCC[C@H](C)[*:1] CC[C@@H](NC(=O)[*:1])c1ccc(Br)cc1
CC[C@@H](NC(=O)[C@@H](C)CCOC)c1ccc(Br)cc1 COCC[*:1] CC[C@@H](NC(=O)[C@@H](C)[*:1])c1ccc(Br)cc1
Cc1ccc([C@H](CC(=O)N2CCCC2)c2ccccc2)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)[C@H](C[*:1])c1ccccc1
Cc1ccc([C@H](CC(=O)N2CCCC2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@H](c1ccccc1)[*:1])N1CCCC1
Cc1ccc([C@H](CC(=O)N2CCCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](CC(=O)N1CCCC1)[*:1]
C#CCOc1ccc(F)cc1NC(=O)COCC C#CC[*:1] CCOCC(=O)Nc1cc(F)ccc1O[*:1]
C#CCOc1ccc(F)cc1NC(=O)COCC CCOC[*:1] C#CCOc1ccc(F)cc1NC(=O)[*:1]
C#CCOc1ccc(F)cc1NC(=O)COCC CCO[*:1] C#CCOc1ccc(F)cc1NC(=O)C[*:1]
C#CCOc1ccc(F)cc1NC(=O)COCC C#CCO[*:1] CCOCC(=O)Nc1cc(F)ccc1[*:1]
CNC(=O)CC1CCN(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 CNC(=O)C[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 CNC(=O)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)N1CCC(CC1)C[*:1]
CNCc1cc[nH+]c(N(C)CCc2cccs2)c1 CNC[*:1] CN(CCc1cccs1)c1cc(cc[nH+]1)[*:1]
CNCc1cc[nH+]c(N(C)CCc2cccs2)c1 c1csc(c1)[*:1] CNCc1cc[nH+]c(c1)N(C)CC[*:1]
CNCc1cc[nH+]c(N(C)CCc2cccs2)c1 c1csc(c1)C[*:1] CNCc1cc[nH+]c(c1)N(C)C[*:1]
CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(c5cccc(C)c5)[C@H](C)C4)nc(C)n3n2)cc1 Cc1cccc(c1)[*:1] CCc1ccc(cc1)-c1cc2c(=O)n(CC(=O)N3CCN([C@H](C)C3)[*:1])nc(C)n2n1
CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(c5cccc(C)c5)[C@H](C)C4)nc(C)n3n2)cc1 CCc1ccc(cc1)[*:1] Cc1cccc(c1)N1CCN(C[C@H]1C)C(=O)Cn1nc(C)n2nc(cc2c1=O)[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1cccc(O)c1 Oc1cccc(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@H]1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1cccc(O)c1 COCC[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1cccc(O)c1)[*:1])c1ccco1
COCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1cccc(O)c1 c1coc(c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccc(O)c1
COCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1cccc(O)c1 COC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(O)c1)c1ccco1
COCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1cccc(O)c1 O=C(c1ccco1)[*:1] COCCN1C(=O)C([O-])=C([C@@H]1c1cccc(O)c1)[*:1]
[NH3+]C[C@@H](CCOc1ccccc1)c1ccccc1F c1ccc(cc1)[*:1] [NH3+]C[C@@H](CCO[*:1])c1ccccc1F
COc1ccc(OCCN(C)c2ncccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)OCCN(C)c1ncccc1[*:1]
C[C@H](CC(=O)N1CCC[C@H]1CN1CCOCC1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N1CCC[C@H]1CN1CCOCC1)NC(=O)[*:1]
C[C@H](CC(=O)N1CCC[C@H]1CN1CCOCC1)NC(=O)c1ccccc1 C1CN(CCO1)[*:1] C[C@H](CC(=O)N1CCC[C@H]1C[*:1])NC(=O)c1ccccc1
C[C@H](CC(=O)N1CCC[C@H]1CN1CCOCC1)NC(=O)c1ccccc1 C1CN(CCO1)C[*:1] C[C@H](CC(=O)N1CCC[C@@H]1[*:1])NC(=O)c1ccccc1
CCc1nsc(N2CCCN(C(=O)C3CCC3)CC2)n1 C1CC(C1)[*:1] CCc1nsc(n1)N1CCCN(CC1)C(=O)[*:1]
CC1=C2C(=O)N=C(CS[C@H](C)C(=O)NCc3ccc4c(c3)OCCO4)N=C2S[C@@H]1C c1cc2OCCOc2cc1[*:1] CC1=C2C(=O)N=C(CS[C@H](C)C(=O)NC[*:1])N=C2S[C@@H]1C
[NH3+][C@@]1(C(=O)[O-])CC[C@@H](Sc2ccc(Cl)c(Cl)c2)C1 O=C([O-])[*:1] [NH3+][C@]1(CC[C@H](C1)Sc1ccc(Cl)c(Cl)c1)[*:1]
Cc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] O=C1CCCN1[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)COc1cccc(c1)[*:1]
Cc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)COc1cccc(c1)N1CCCC1=O
COc1ccc(CSCC(=O)NN)cc1 NNC(=O)[*:1] COc1ccc(cc1)CSC[*:1]
COc1ccc(CSCC(=O)NN)cc1 NNC(=O)C[*:1] COc1ccc(cc1)CS[*:1]
Cc1nnc(SCC(=O)N(C)[C@H](C)c2ccccc2)n1N Cc1nnc(n1N)[*:1] C[C@H](c1ccccc1)N(C)C(=O)CS[*:1]
Cc1nnc(SCC(=O)N(C)[C@H](C)c2ccccc2)n1N c1ccc(cc1)[*:1] Cc1nnc(SCC(=O)N(C)[C@H](C)[*:1])n1N
Cc1cc(NC(=O)CCCCl)n(-c2nc(C)c(C)c([O-])n2)n1 O=C(CCCCl)N[*:1] Cc1cc(n(n1)-c1nc(C)c(C)c([O-])n1)[*:1]
Cc1cc(NC(=O)CCCCl)n(-c2nc(C)c(C)c([O-])n2)n1 ClCC[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1nc(C)c(C)c([O-])n1
Cc1cc(NC(=O)CCCCl)n(-c2nc(C)c(C)c([O-])n2)n1 ClCCC[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc(C)c(C)c([O-])n1
CCc1ccc([C@H](C)C(=O)N(CC)Cc2ccccn2)cc1 c1ccc(C[*:1])nc1 CCc1ccc(cc1)[C@H](C)C(=O)N(CC)[*:1]
CCc1ccc([C@H](C)C(=O)N(CC)Cc2ccccn2)cc1 c1ccc(nc1)[*:1] CCc1ccc(cc1)[C@H](C)C(=O)N(CC)C[*:1]
COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nccc(=O)[nH]3)cc2)cc1 O=c1ccnc([nH]1)SC[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nccc(=O)[nH]3)cc2)cc1 O=c1ccnc([nH]1)[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)CS[*:1]
COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nccc(=O)[nH]3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nccc(=O)[nH]1)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nccc(=O)[nH]3)cc2)cc1 O=c1ccnc([nH]1)S[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N(C)[*:1]
COc1ccc(Cl)c(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 c1csc(c1)[*:1] COc1ccc(Cl)c(c1)NC(=O)c1cccc(c1)NC(=O)[*:1]
COc1ccc(Cl)c(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 O=C(N[*:1])c1cccs1 COc1ccc(Cl)c(c1)NC(=O)c1cccc(c1)[*:1]
C#CC[C@@H](C)OC(=O)c1cnc(-c2ccoc2)s1 C#CC[*:1] C[C@@H](OC(=O)c1cnc(s1)-c1ccoc1)[*:1]
C#CC[C@@H](C)OC(=O)c1cnc(-c2ccoc2)s1 c1cc(co1)[*:1] C#CC[C@@H](C)OC(=O)c1cnc(s1)[*:1]
Cc1cn2c(/C=C3\N=C(c4cccs4)OC3=O)c(C)nc2s1 c1csc(c1)[*:1] Cc1cn2c(/C=C3\N=C(OC3=O)[*:1])c(C)nc2s1
NC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 NC(=O)[*:1] O=C1CC[C@@H](N1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc([C@H](C)C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4CCCC4)ncc32)cc1 Cc1ccc(cc1)[C@H](C)[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)NC(=O)[*:1])N1CCCC1
Cc1ccc([C@H](C)C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4CCCC4)ncc32)cc1 C1CCN(C1)[*:1] Cc1ccc(cc1)[C@H](C)C(=O)N[C@@H]1CC(C)(C)Cc2nc(ncc21)[*:1]
Cc1ccc([C@H](C)C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4CCCC4)ncc32)cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)N[C@@H]1CC(C)(C)Cc2nc(ncc21)N1CCCC1)[*:1]
CC(C)(C)SCC(=O)N(Cc1ccco1)Cc1cccs1 c1coc(c1)C[*:1] CC(C)(C)SCC(=O)N(Cc1cccs1)[*:1]
CC(C)(C)SCC(=O)N(Cc1ccco1)Cc1cccs1 c1csc(c1)[*:1] CC(C)(C)SCC(=O)N(Cc1ccco1)C[*:1]
CC(C)(C)SCC(=O)N(Cc1ccco1)Cc1cccs1 c1coc(c1)[*:1] CC(C)(C)SCC(=O)N(Cc1cccs1)C[*:1]
CC(C)(C)SCC(=O)N(Cc1ccco1)Cc1cccs1 CC(C)(C)[*:1] O=C(CS[*:1])N(Cc1ccco1)Cc1cccs1
CC(C)(C)SCC(=O)N(Cc1ccco1)Cc1cccs1 CC(C)(C)SC[*:1] O=C(N(Cc1ccco1)Cc1cccs1)[*:1]
CC(C)(C)SCC(=O)N(Cc1ccco1)Cc1cccs1 CC(C)(C)S[*:1] O=C(C[*:1])N(Cc1ccco1)Cc1cccs1
CC(C)(C)SCC(=O)N(Cc1ccco1)Cc1cccs1 c1csc(c1)C[*:1] CC(C)(C)SCC(=O)N(Cc1ccco1)[*:1]
COc1ccc(OC)c([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N([C@@H](C)c4ccccc4)CC(=O)N32)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[C@@H](C)[*:1]
COc1ccc(OC)c([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N([C@@H](C)c4ccccc4)CC(=O)N32)c1 C[C@@H](c1ccccc1)[*:1] COc1ccc(OC)c(c1)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
COc1ccc(OC)c([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N([C@@H](C)c4ccccc4)CC(=O)N32)c1 COc1ccc(OC)c(c1)[*:1] C[C@@H](c1ccccc1)N1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2[*:1])C1=O
CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1cccc2ncccc12 c1ccc(C[*:1])nc1 CN(C(=O)[C@@H]1CC(=O)N(C1)[*:1])c1cccc2ncccc12
CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1cccc2ncccc12 c1ccc(nc1)[*:1] CN(C(=O)[C@@H]1CC(=O)N(C1)C[*:1])c1cccc2ncccc12
COc1cccc([C@@H]2OCCC[C@@H]2C[NH2+]C2CC2)c1OC C1CC1[*:1] COc1cccc(c1OC)[C@@H]1OCCC[C@@H]1C[NH2+][*:1]
CC(=O)Nc1cccc(NC(=O)NCCc2c(F)cccc2F)c1 CC(=O)N[*:1] O=C(NCCc1c(F)cccc1F)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)NCCc2c(F)cccc2F)c1 Fc1cccc(F)c1[*:1] CC(=O)Nc1cccc(c1)NC(=O)NCC[*:1]
O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 O=C([O-])[*:1] O=C([C@H]1CC=CCC1)N1CCC[C@H](C1)[*:1]
CC(C)C(=O)N(C)C1CCC([NH3+])CC1 CC(C)[*:1] CN(C(=O)[*:1])C1CCC([NH3+])CC1
Cn1nc(C2CCN(C(=O)c3ccccn3)CC2)c2nccnc21 c1ccc(nc1)[*:1] Cn1nc(c2nccnc21)C1CCN(CC1)C(=O)[*:1]
CCC(=O)Nc1ccc(C)c(N[C@@H](C)c2ccoc2)c1 c1cc(co1)[*:1] CCC(=O)Nc1ccc(C)c(c1)N[C@@H](C)[*:1]
CCC(=O)Nc1ccc(C)c(N[C@@H](C)c2ccoc2)c1 CCC(=O)N[*:1] Cc1ccc(cc1N[C@@H](C)c1ccoc1)[*:1]
NC1=[NH+]C[C@@H]([C@@H]2CCCOC2)N1c1ccc(F)cc1 C1COC[C@@H](C1)[*:1] NC1=[NH+]C[C@@H](N1c1ccc(F)cc1)[*:1]
CCc1nnc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)s1 CCc1nnc(s1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[*:1]
CCc1nnc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)s1 c1coc(c1)[*:1] CCc1nnc(NC(=O)NC[C@H]([NH+]2CCCCC2)[*:1])s1
CCNC(=O)CNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 CCNC(=O)C[*:1] O=C(Nc1nc(cs1)-c1ccccc1)C(=O)N[*:1]
CCNC(=O)CNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] CCNC(=O)CNC(=O)C(=O)Nc1nc(cs1)[*:1]
CCNC(=O)CNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 CCNC(=O)[*:1] O=C(NC[*:1])C(=O)Nc1nc(cs1)-c1ccccc1
CN(Cc1ccoc1)c1nc(N)nc2c1CCN(C1CC[NH2+]CC1)CC2 c1cc(co1)[*:1] CN(C[*:1])c1nc(N)nc2CCN(CCc21)C1CC[NH2+]CC1
CN(Cc1ccoc1)c1nc(N)nc2c1CCN(C1CC[NH2+]CC1)CC2 c1cc(co1)C[*:1] CN(c1nc(N)nc2CCN(CCc21)C1CC[NH2+]CC1)[*:1]
CN(Cc1ccoc1)c1nc(N)nc2c1CCN(C1CC[NH2+]CC1)CC2 CN(Cc1ccoc1)[*:1] Nc1nc2CCN(CCc2c(n1)[*:1])C1CC[NH2+]CC1
CC(=O)C1=C([O-])C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccco1 CC(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccco2)N1CCc1c[nH]c2ccccc12)[*:1]
CC(=O)C1=C([O-])C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccco1 c1coc(c1)[*:1] CC(=O)C1=C([O-])C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1[*:1]
N#CC(C#N)=CN[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] N#CC(C#N)=CN[C@H]1CCCC[C@H]1[*:1]
N#CC(C#N)=CN[C@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] N#CC(C#N)=CN[C@H]1CCCC[C@@H]1O[*:1]
N#CC(C#N)=CN[C@H]1CCCC[C@@H]1OC1CCCC1 N#CC(C#N)=C[*:1] C1CCC(C1)O[C@H]1CCCC[C@@H]1N[*:1]
CCCN(C(=O)C[NH2+]C(C)(C)C)[C@H]1COC[C@H]1C(=O)[O-] CC(C)(C)[*:1] CCCN(C(=O)C[NH2+][*:1])[C@H]1COC[C@H]1C(=O)[O-]
CCCN(C(=O)C[NH2+]C(C)(C)C)[C@H]1COC[C@H]1C(=O)[O-] CCC[*:1] CC(C)(C)[NH2+]CC(=O)N([C@H]1COC[C@H]1C(=O)[O-])[*:1]
CCCN(C(=O)C[NH2+]C(C)(C)C)[C@H]1COC[C@H]1C(=O)[O-] O=C([O-])[*:1] CCCN(C(=O)C[NH2+]C(C)(C)C)[C@H]1COC[C@@H]1[*:1]
CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 CNC(=O)[*:1] O=c1oc2ccc(cc2n1CN1Cc2ccccc2C[C@H]1[*:1])[N+](=O)[O-]
CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1c(=O)oc2ccc(cc21)[*:1]
CC(C)[C@@H](NC(=O)COc1ccccc1)c1ccc2c(c1)OCCCO2 c1ccc(cc1)OC[*:1] CC(C)[C@@H](NC(=O)[*:1])c1ccc2OCCCOc2c1
CC(C)[C@@H](NC(=O)COc1ccccc1)c1ccc2c(c1)OCCCO2 CC(C)[*:1] O=C(COc1ccccc1)N[C@@H](c1ccc2OCCCOc2c1)[*:1]
CC(C)[C@@H](NC(=O)COc1ccccc1)c1ccc2c(c1)OCCCO2 c1ccc(cc1)O[*:1] CC(C)[C@@H](NC(=O)C[*:1])c1ccc2OCCCOc2c1
CC(C)[C@@H](NC(=O)COc1ccccc1)c1ccc2c(c1)OCCCO2 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CO[*:1])c1ccc2OCCCOc2c1
CCC[C@H](C#N)N1CCN(C(=O)N2CCOCC2)CC1 CCC[*:1] N#C[C@H](N1CCN(CC1)C(=O)N1CCOCC1)[*:1]
CCC[C@H](C#N)N1CCN(C(=O)N2CCOCC2)CC1 CCC[C@H](C#N)[*:1] O=C(N1CCOCC1)N1CCN(CC1)[*:1]
COc1cc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC(C)=O Brc1cccc(c1)[*:1] COc1cc(/C=C(/C#N)c2nc(cs2)[*:1])cc(OC)c1OC(C)=O
COc1cc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC(C)=O CC(=O)O[*:1] COc1cc(/C=C(/C#N)c2nc(cs2)-c2cccc(Br)c2)cc(OC)c1[*:1]
COCCNC(=O)c1cc([C@@H]2CCN(C(=O)Cc3ccccc3)C2)nc2ccccc12 COC[*:1] O=C(NC[*:1])c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)Cc1ccccc1
COCCNC(=O)c1cc([C@@H]2CCN(C(=O)Cc3ccccc3)C2)nc2ccccc12 COCCNC(=O)[*:1] O=C(Cc1ccccc1)N1CC[C@H](C1)c1cc(c2ccccc2n1)[*:1]
COCCNC(=O)c1cc([C@@H]2CCN(C(=O)Cc3ccccc3)C2)nc2ccccc12 COCC[*:1] O=C(N[*:1])c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)Cc1ccccc1
COCCNC(=O)c1cc([C@@H]2CCN(C(=O)Cc3ccccc3)C2)nc2ccccc12 c1ccc(cc1)C[*:1] COCCNC(=O)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)[*:1]
COCCNC(=O)c1cc([C@@H]2CCN(C(=O)Cc3ccccc3)C2)nc2ccccc12 c1ccc(cc1)[*:1] COCCNC(=O)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)C[*:1]
Cc1ccccc1Oc1nc2ccccn2c(=O)c1[N+](=O)[O-] Cc1ccccc1[*:1] O=c1c(c(nc2ccccn12)O[*:1])[N+](=O)[O-]
Cc1ccccc1Oc1nc2ccccn2c(=O)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1Oc1nc2ccccn2c(=O)c1[*:1]
CCOCCNC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 CCO[*:1] C[C@H](c1ccccc1Cl)N1CCN(CC1)C(=O)NCC[*:1]
CCOCCNC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 CCOC[*:1] C[C@H](c1ccccc1Cl)N1CCN(CC1)C(=O)NC[*:1]
CCOCCNC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 CCOCC[*:1] C[C@H](c1ccccc1Cl)N1CCN(CC1)C(=O)N[*:1]
CCOCCNC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CCOCCNC(=O)N1CCN(CC1)[C@H](C)[*:1]
COC(=O)c1c(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)sc(C)c1C COC(=O)[*:1] Cc1sc(c(c1C)[*:1])N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O
COC(=O)c1c(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)sc(C)c1C O=C([O-])[*:1] COC(=O)c1c(sc(C)c1C)N1C(=O)C[C@H](Sc2ccccc2[*:1])C1=O
COC(=O)c1c(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)sc(C)c1C O=C([O-])c1ccccc1[*:1] COC(=O)c1c(sc(C)c1C)N1C(=O)C[C@H](S[*:1])C1=O
NC(=O)[C@H]1COCCN1CCC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H]1COCCN1CCC(=O)N[*:1]
NC(=O)[C@H]1COCCN1CCC(=O)Nc1ccccc1 NC(=O)[*:1] O=C(CCN1CCOC[C@@H]1[*:1])Nc1ccccc1
CC(C)(C)c1ccccc1NC(=O)COc1cccc2c1NC(=O)CO2 CC(C)(C)[*:1] O=C(COc1cccc2OCC(=O)Nc12)Nc1ccccc1[*:1]
CC[NH+](CC)CCNC(=O)Cc1cccs1 c1csc(c1)[*:1] CC[NH+](CC)CCNC(=O)C[*:1]
COCCn1c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)nc2ccccc21 c1ccc2c(c[nH]c2c1)[*:1] COCCn1c(nc2ccccc21)S[C@@H](C)C(=O)[*:1]
COCCn1c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)nc2ccccc21 COCC[*:1] C[C@H](Sc1nc2ccccc2n1[*:1])C(=O)c1c[nH]c2ccccc12
COCCn1c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)nc2ccccc21 COC[*:1] C[C@H](Sc1nc2ccccc2n1C[*:1])C(=O)c1c[nH]c2ccccc12
CCC[NH2+][C@@H]1CCC[C@H](n2ccnc2-c2cccs2)C1 CCC[*:1] c1csc(c1)-c1nccn1[C@H]1CCC[C@H](C1)[NH2+][*:1]
CCC[NH2+][C@@H]1CCC[C@H](n2ccnc2-c2cccs2)C1 c1csc(c1)[*:1] CCC[NH2+][C@@H]1CCC[C@@H](C1)n1ccnc1[*:1]
CN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)c1ccccc1F O=C(N1CCCCC1)[*:1] CN(CCn1cc(nn1)[*:1])S(=O)(=O)c1ccccc1F
CN(CCn1cc(C(=O)N2CCCCC2)nn1)S(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] CN(CCn1cc(nn1)C(=O)N1CCCCC1)S(=O)(=O)[*:1]
C[NH+]1CCN(Cc2ccc(C(=O)Nc3nc(C4CC4)cs3)cc2)CC1 c1sc(nc1C1CC1)[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)C(=O)N[*:1]
C[NH+]1CCN(Cc2ccc(C(=O)Nc3nc(C4CC4)cs3)cc2)CC1 C1CC1[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
CC[C@H](c1ccccc1)[S@](=O)CC(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](c1ccccc1)[S@](=O)CC(=O)N[*:1]
CC[C@H](c1ccccc1)[S@](=O)CC(=O)Nc1ccc(C)cc1 c1ccc(cc1)[*:1] CC[C@H]([S@](=O)CC(=O)Nc1ccc(C)cc1)[*:1]
CCc1onc(C)c1NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 CCc1onc(C)c1[*:1] C[NH+]1CCN(CC1)[C@H](C(=O)N[*:1])c1ccccc1
CCc1onc(C)c1NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 c1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)[C@H](N1CC[NH+](C)CC1)[*:1]
CC[C@@H](CCO)NS(=O)(=O)c1ccc(Br)cn1 OCC[*:1] CC[C@@H](NS(=O)(=O)c1ccc(Br)cn1)[*:1]
CC(C)CNc1nc2sccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)CNc1nc2sccn2c1[*:1]
CC(C)CNc1nc2sccn2c1[N+](=O)[O-] CC(C)CN[*:1] O=[N+]([O-])c1c(nc2sccn12)[*:1]
CC(C)CNc1nc2sccn2c1[N+](=O)[O-] CC(C)C[*:1] O=[N+]([O-])c1c(nc2sccn12)N[*:1]
CC(C)CNc1nc2sccn2c1[N+](=O)[O-] CC(C)[*:1] O=[N+]([O-])c1c(nc2sccn12)NC[*:1]
FC(F)(F)c1ccc(SSc2ccc(C(F)(F)F)cn2)nc1 FC(F)(F)[*:1] FC(F)(F)c1ccc(nc1)SSc1ccc(cn1)[*:1]
CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+][C@@H]1CCc2nc(COC)nn2C1 COC[*:1] CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+][C@@H]1CCc2nc(nn2C1)[*:1]
CC(=O)N(c1nc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cs1)c1ccc(F)cc1F Clc1ccc2c(c[nH]c2c1)[*:1] CC(=O)N(c1nc(/C=C(\C#N)C(=O)[*:1])cs1)c1ccc(F)cc1F
CC(=O)N(c1nc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cs1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(=O)N(c1nc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cs1)[*:1]
C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccnc1 c1coc(c1)C[*:1] C[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1cccnc1
C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccnc1 c1coc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)C[*:1])c1cccnc1
C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)[*:1]
COC(=O)c1sccc1CN1CC[C@H](c2ccccc2OC)C1 COC(=O)[*:1] COc1ccccc1[C@H]1CCN(Cc2ccsc2[*:1])C1
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1 C[C@@H](c1ccc(F)cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1])c1ccc(F)cc1
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(F)cc1)[*:1]
COCC[NH2+]CC(=O)N1CCS(=O)(=O)CC1 COCC[*:1] O=C(C[NH2+][*:1])N1CCS(=O)(=O)CC1
COCC[NH2+]CC(=O)N1CCS(=O)(=O)CC1 COC[*:1] O=C(C[NH2+]C[*:1])N1CCS(=O)(=O)CC1
CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 CC(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CCNS(=O)(=O)c1cccc(c1)[*:1]
O=C(COc1ccc(Oc2ccccc2)cc1)NNC(=O)c1cccnc1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)O[*:1])NNC(=O)c1cccnc1
O=C(COc1ccc(Oc2ccccc2)cc1)NNC(=O)c1cccnc1 c1cncc(c1)[*:1] O=C(COc1ccc(cc1)Oc1ccccc1)NNC(=O)[*:1]
O=C(COc1ccc(Oc2ccccc2)cc1)NNC(=O)c1cccnc1 c1ccc(cc1)O[*:1] O=C(COc1ccc(cc1)[*:1])NNC(=O)c1cccnc1
CC[C@@H](Cc1ccc(C)cc1)NC(=O)C(C)(C)NC(C)=O CC(=O)N[*:1] CC[C@@H](Cc1ccc(C)cc1)NC(=O)C(C)(C)[*:1]
CC[C@@H](Cc1ccc(C)cc1)NC(=O)C(C)(C)NC(C)=O Cc1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)C(C)(C)NC(C)=O
CC[C@@H](Cc1ccc(C)cc1)NC(=O)C(C)(C)NC(C)=O CC(=O)NC(C)(C)[*:1] CC[C@@H](Cc1ccc(C)cc1)NC(=O)[*:1]
O=C1NC(=O)C2(CCN(C(=O)c3cc(Br)c[nH]3)CC2)N1 Brc1c[nH]c(c1)[*:1] O=C1NC(=O)C2(CCN(CC2)C(=O)[*:1])N1
N#C[C@@H](C(=O)CCSc1ccc(F)cc1)c1nnc2n1CCCCC2 Fc1ccc(cc1)[*:1] N#C[C@@H](C(=O)CCS[*:1])c1nnc2CCCCCn21
N#C[C@@H](C(=O)CCSc1ccc(F)cc1)c1nnc2n1CCCCC2 Fc1ccc(cc1)S[*:1] N#C[C@@H](C(=O)CC[*:1])c1nnc2CCCCCn21
CC(C)N(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)N(C(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CC(C)N(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 CC(C)[*:1] N#Cc1cccc(c1)N(C(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CC(C)N(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 Clc1ccc(cc1)[*:1] CC(C)N(C(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1])c1cccc(C#N)c1
c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)c1 c1csc(c1)[*:1] c1csc(c1)[C@H]1Oc2ccccc2[C@@H]2CC(=NN21)[*:1]
c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)c1 c1csc(c1)[*:1] c1csc(c1)C1C[C@H]2c3ccccc3O[C@H](N2N=1)[*:1]
CC(C)CCn1cc(C(=O)NC[C@]2(O)CCSC2)nn1 CC(C)C[*:1] O=C(NC[C@]1(O)CCSC1)c1cn(C[*:1])nn1
CC(C)CCn1cc(C(=O)NC[C@]2(O)CCSC2)nn1 CC(C)CC[*:1] O=C(NC[C@]1(O)CCSC1)c1cn(nn1)[*:1]
CC(C)CCn1cc(C(=O)NC[C@]2(O)CCSC2)nn1 CC(C)[*:1] O=C(NC[C@]1(O)CCSC1)c1cn(CC[*:1])nn1
CNC(=O)c1ccc(CNc2nc(N(C)C)[nH+]c3c2CCCC3)o1 CN(C)[*:1] CNC(=O)c1ccc(CNc2nc([nH+]c3CCCCc23)[*:1])o1
CNC(=O)c1ccc(CNc2nc(N(C)C)[nH+]c3c2CCCC3)o1 CNC(=O)[*:1] CN(C)c1nc(NCc2ccc(o2)[*:1])c2CCCCc2[nH+]1
O=COc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=COc1ccc(cc1)[*:1]
O=COc1ccc([N+](=O)[O-])cc1 O=CO[*:1] O=[N+]([O-])c1ccc(cc1)[*:1]
COc1ccc(-n2c(SCC(=O)Nc3nnc(C)s3)nc3c(c2=O)S[C@H](C)C3)cc1 Cc1nnc(NC(=O)[*:1])s1 COc1ccc(cc1)-n1c(nc2C[C@@H](C)Sc2c1=O)SC[*:1]
COc1ccc(-n2c(SCC(=O)Nc3nnc(C)s3)nc3c(c2=O)S[C@H](C)C3)cc1 Cc1nnc(NC(=O)C[*:1])s1 COc1ccc(cc1)-n1c(nc2C[C@@H](C)Sc2c1=O)S[*:1]
COc1ccc(-n2c(SCC(=O)Nc3nnc(C)s3)nc3c(c2=O)S[C@H](C)C3)cc1 COc1ccc(cc1)[*:1] Cc1nnc(NC(=O)CSc2nc3C[C@@H](C)Sc3c(=O)n2[*:1])s1
COc1ccc(-n2c(SCC(=O)Nc3nnc(C)s3)nc3c(c2=O)S[C@H](C)C3)cc1 Cc1nnc(s1)[*:1] COc1ccc(cc1)-n1c(nc2C[C@@H](C)Sc2c1=O)SCC(=O)N[*:1]
CCc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1 CC(C)NC(=O)[*:1] CCc1ccc(cc1)O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1 CCc1ccc(cc1)[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)[C@@H](C)O[*:1]
CCc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1 CC(C)[*:1] CCc1ccc(cc1)O[C@H](C)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(=O)N[C@H]1CCCN(C(=O)CS[C@H](C)[C@@H](C)O)C1 C[C@@H](O)[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)CS[C@H](C)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)CS[C@H](C)[C@@H](C)O)C1 CC(=O)N[*:1] C[C@@H](O)[C@@H](C)SCC(=O)N1CCC[C@@H](C1)[*:1]
CC(C)=C[C@H]1[C@H](C(=O)[C@H](C#N)c2nc(C)cc(C)n2)C1(C)C CC(C)=C[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)[C@H]1[C@@H](C1(C)C)[*:1]
C[C@@H]1CN(C(=O)c2nnsc2-c2ccc(Cl)cc2)C[C@@H](C)O1 Clc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1nnsc1[*:1]
COCc1c(C(=O)NCc2ccc(Cl)cc2)nnn1-c1ccc(OC)cc1 Clc1ccc(cc1)[*:1] COCc1c(nnn1-c1ccc(cc1)OC)C(=O)NC[*:1]
COCc1c(C(=O)NCc2ccc(Cl)cc2)nnn1-c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)-n1nnc(C(=O)NCc2ccc(Cl)cc2)c1[*:1]
COCc1c(C(=O)NCc2ccc(Cl)cc2)nnn1-c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COCc1c(nnn1[*:1])C(=O)NCc1ccc(Cl)cc1
COCc1c(C(=O)NCc2ccc(Cl)cc2)nnn1-c1ccc(OC)cc1 Clc1ccc(cc1)C[*:1] COCc1c(nnn1-c1ccc(cc1)OC)C(=O)N[*:1]
COc1ccc(OC)c(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2ccc(Cl)cc2)c1 COc1ccc(OC)c(c1)[*:1] O=C(Nc1ccccc1[C@@H]1SCC(=O)N1[*:1])c1ccc(Cl)cc1
COc1ccc(OC)c(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2ccc(Cl)cc2)c1 O=C(N[*:1])c1ccc(Cl)cc1 COc1ccc(OC)c(c1)N1C(=O)CS[C@H]1c1ccccc1[*:1]
COc1ccc(OC)c(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)N1C(=O)CS[C@H]1c1ccccc1NC(=O)[*:1]
CC[NH2+][C@@H]1[C@H](S(=O)(=O)CC(=O)OCC)CCC1(C)C CCOC(=O)C[*:1] CC[NH2+][C@@H]1[C@@H](CCC1(C)C)S(=O)(=O)[*:1]
CC[NH2+][C@@H]1[C@H](S(=O)(=O)CC(=O)OCC)CCC1(C)C CCOC(=O)[*:1] CC[NH2+][C@@H]1[C@@H](CCC1(C)C)S(=O)(=O)C[*:1]
CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2C)CN1C(C)C CNC(=O)[*:1] COc1ccc(C[NH2+][C@H]2C[C@H](N(C2)C(C)C)[*:1])c(C)c1C
CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2C)CN1C(C)C CC(C)[*:1] CNC(=O)[C@@H]1C[C@@H](CN1[*:1])[NH2+]Cc1ccc(OC)c(C)c1C
CO[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(nc1)O[*:1]
CO[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)O[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(nc1)[*:1]
COc1ccc(-n2cc(-c3ccnc(N4c5ccccc5C[C@H]4C)n3)c(C)n2)cc1 COc1ccc(cc1)[*:1] Cc1nn(cc1-c1ccnc(n1)N1c2ccccc2C[C@H]1C)[*:1]
O=C(C/C=C/c1ccc(F)cc1)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(C/C=C/c1ccc(F)cc1)NC[C@@H]1CC(=O)N(C1)C[*:1]
O=C(C/C=C/c1ccc(F)cc1)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 Fc1ccc(cc1)[*:1] O=C(CC=C[*:1])NC[C@@H]1CC(=O)N(Cc2ccccc2)C1
O=C(C/C=C/c1ccc(F)cc1)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(C/C=C/c1ccc(F)cc1)NC[C@@H]1CC(=O)N(C1)[*:1]
O=C(C/C=C/c1ccc(F)cc1)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 Fc1ccc(C=C[*:1])cc1 O=C(C[*:1])NC[C@@H]1CC(=O)N(Cc2ccccc2)C1
COc1ccc(SCC(=O)NCc2nc(C)c(C)s2)cc1 Cc1nc(sc1C)[*:1] COc1ccc(cc1)SCC(=O)NC[*:1]
CCOC(CNC(=O)c1cc2c(s1)-c1ccccc1OC2)OCC CCOC(C[*:1])OCC O=C(N[*:1])c1cc2COc3ccccc3-c2s1
CCOC(CNC(=O)c1cc2c(s1)-c1ccccc1OC2)OCC CCOC(OCC)[*:1] O=C(NC[*:1])c1cc2COc3ccccc3-c2s1
CCOC(CNC(=O)c1cc2c(s1)-c1ccccc1OC2)OCC CCO[*:1] CCOC(CNC(=O)c1cc2COc3ccccc3-c2s1)[*:1]
N#CCCCn1cnc(CC[NH3+])c1 N#CCC[*:1] [NH3+]CCc1cn(cn1)C[*:1]
N#CCCCn1cnc(CC[NH3+])c1 N#CC[*:1] [NH3+]CCc1cn(cn1)CC[*:1]
N#CCCCn1cnc(CC[NH3+])c1 [NH3+]CC[*:1] N#CCCCn1cnc(c1)[*:1]
COc1ccc(OC)c([C@@H](C)NCCc2ccncc2C)c1 Cc1cnccc1[*:1] COc1ccc(OC)c(c1)[C@@H](C)NCC[*:1]
Cc1ccnc(NC(=S)NC(=O)c2ccco2)c1 c1coc(c1)[*:1] Cc1ccnc(c1)NC(=S)NC(=O)[*:1]
COCc1cc(C)nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1C#N COC[*:1] Cc1cc(c(C#N)c(n1)SCC(=O)Nc1sc2C[C@H](CCc2c1C#N)C(C)(C)C)[*:1]
COCc1cc(C)nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1C#N CC(C)(C)[*:1] COCc1cc(C)nc(SCC(=O)Nc2sc3C[C@@H](CCc3c2C#N)[*:1])c1C#N
CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2OC2CCCC2)cc1 C1CCC(C1)[*:1] CNS(=O)(=O)c1ccc(cc1)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O[*:1]
CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2OC2CCCC2)cc1 CNS(=O)(=O)[*:1] C[C@H]([NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1)c1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2OC2CCCC2)cc1 C1CCC(C1)O[*:1] CNS(=O)(=O)c1ccc(cc1)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[*:1]
CC(C)(C)C(=O)NCCNC(=O)COc1ccccc1 CC(C)(C)[*:1] O=C(COc1ccccc1)NCCNC(=O)[*:1]
CC(C)(C)C(=O)NCCNC(=O)COc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)NCCNC(=O)CO[*:1]
CCc1ccc([C@@H](CO)NC(=O)[C@H]2CCOC2)cc1 C1C[C@@H](CO1)[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)[*:1]
COC[C@@H](C)NC(=O)NNC(=O)c1ccc2ccccc2n1 COC[*:1] C[C@@H](NC(=O)NNC(=O)c1ccc2ccccc2n1)[*:1]
COC[C@@H](C)NC(=O)NNC(=O)c1ccc2ccccc2n1 COC[C@@H](C)[*:1] O=C(NNC(=O)c1ccc2ccccc2n1)N[*:1]
CC1([C@H](O)c2ccc(F)c3ccccc23)CCCC1 CC1(CCCC1)[*:1] O[C@H](c1ccc(F)c2ccccc12)[*:1]
COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2OC)N2NN=[NH+]C2=N3)cc1 COc1ccccc1[*:1] COc1ccc(cc1)[C@H]1Oc2ccccc2C2N=C3[NH+]=NNN3[C@H](C=21)[*:1]
COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2OC)N2NN=[NH+]C2=N3)cc1 COc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1C2=C(N=C3[NH+]=NNN31)c1ccccc1O[C@@H]2[*:1]
NC(=O)[C@@H]1CCCCN1c1cncc(C(=O)[O-])n1 NC(=O)[*:1] O=C([O-])c1cncc(n1)N1CCCC[C@H]1[*:1]
NC(=O)[C@@H]1CCCCN1c1cncc(C(=O)[O-])n1 O=C([O-])[*:1] NC(=O)[C@@H]1CCCCN1c1cncc(n1)[*:1]
O=C(CCCc1ccccc1)N1CCC[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCCc1ccccc1)N1CCC[C@H]1[*:1]
O=C(CCCc1ccccc1)N1CCC[C@@H]1c1cccc(F)c1 c1ccc(cc1)[*:1] O=C(CCC[*:1])N1CCC[C@@H]1c1cccc(F)c1
O=C(CCCc1ccccc1)N1CCC[C@@H]1c1cccc(F)c1 c1ccc(cc1)C[*:1] O=C(CC[*:1])N1CCC[C@@H]1c1cccc(F)c1
CCC(C)(C)C(=O)N1CCCCC[C@@H]1C[C@@H](C)O CCC(C)(C)[*:1] C[C@@H](O)C[C@H]1CCCCCN1C(=O)[*:1]
CCC(C)(C)C(=O)N1CCCCC[C@@H]1C[C@@H](C)O C[C@@H](O)C[*:1] CCC(C)(C)C(=O)N1CCCCC[C@H]1[*:1]
CCC(C)(C)C(=O)N1CCCCC[C@@H]1C[C@@H](C)O C[C@@H](O)[*:1] CCC(C)(C)C(=O)N1CCCCC[C@@H]1C[*:1]
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O Fc1cccc(c1)[*:1] COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](C(C#N)=C(N)N2C1=O)[*:1]
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O Cc1cccc(c1)NC(=O)[*:1] COC(=O)C[C@@H]1SC2=C([C@H](C(C#N)=C(N)N2C1=O)c1cccc(F)c1)[*:1]
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O Cc1cccc(c1)[*:1] COC(=O)C[C@@H]1SC2=C(C(=O)N[*:1])[C@H](C(C#N)=C(N)N2C1=O)c1cccc(F)c1
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O COC(=O)[*:1] Cc1cccc(c1)NC(=O)C1=C2S[C@@H](C[*:1])C(=O)N2C(N)=C(C#N)[C@@H]1c1cccc(F)c1
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O COC(=O)C[*:1] Cc1cccc(c1)NC(=O)C1=C2S[C@H](C(=O)N2C(N)=C(C#N)[C@@H]1c1cccc(F)c1)[*:1]
CS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(F)cc(F)cc3s2)cc1 CS(=O)(=O)[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1nc2c(F)cc(F)cc2s1
CN(C)C(=O)Oc1cccc(-c2cn3cc(OC(=O)N(C)C)ccc3[n+]2C)c1 CN(C)C(=O)O[*:1] CN(C)C(=O)Oc1ccc2n(c1)cc(-c1cccc(c1)[*:1])[n+]2C
CN(C)C(=O)Oc1cccc(-c2cn3cc(OC(=O)N(C)C)ccc3[n+]2C)c1 CN(C)C(=O)O[*:1] CN(C)C(=O)Oc1cccc(c1)-c1cn2cc(ccc2[n+]1C)[*:1]
Cc1cc(NC(=O)N[C@H]2CCOc3ccccc32)n(C(C)(C)C)n1 CC(C)(C)[*:1] Cc1cc(NC(=O)N[C@H]2CCOc3ccccc32)n(n1)[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1cn(C)nc1-c1ccccc1 Cc1nn(C)c(Cl)c1[*:1] Cn1cc(NC(=O)C=C[*:1])c(n1)-c1ccccc1
Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1cn(C)nc1[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC=C(C#N)C#N CC(C)(C)[*:1] N#CC(C#N)=CN[C@@H]1CCCC[C@H]1CNC(=O)O[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC=C(C#N)C#N N#CC(C#N)=CN[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[*:1]
CN(CC(N)=O)c1c(C#N)nnc2ccccc12 NC(=O)[*:1] CN(C[*:1])c1c(C#N)nnc2ccccc12
CN(CC(N)=O)c1c(C#N)nnc2ccccc12 NC(=O)C[*:1] CN(c1c(C#N)nnc2ccccc12)[*:1]
CN(CC(N)=O)c1c(C#N)nnc2ccccc12 CN(CC(N)=O)[*:1] N#Cc1nnc2ccccc2c1[*:1]
C=CCCCN(C)C(=O)NCC(C)(C)c1ccc(F)cc1 C=CCC[*:1] CN(C[*:1])C(=O)NCC(C)(C)c1ccc(F)cc1
C=CCCCN(C)C(=O)NCC(C)(C)c1ccc(F)cc1 C=CC[*:1] CN(CC[*:1])C(=O)NCC(C)(C)c1ccc(F)cc1
C=CCCCN(C)C(=O)NCC(C)(C)c1ccc(F)cc1 C=CCCC[*:1] CN(C(=O)NCC(C)(C)c1ccc(F)cc1)[*:1]
C=CCCCN(C)C(=O)NCC(C)(C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=CCCCN(C)C(=O)NCC(C)(C)[*:1]
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)nn1 Brc1ccc(cc1)[*:1] COc1ccc(nn1)[N-]S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)N(Cc1ccccc1)C(=O)Cn1nc(-c2cccs2)oc1=O c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)Cn1nc(oc1=O)-c1cccs1
CC(C)N(Cc1ccccc1)C(=O)Cn1nc(-c2cccs2)oc1=O CC(C)[*:1] O=C(Cn1nc(oc1=O)-c1cccs1)N(Cc1ccccc1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)Cn1nc(-c2cccs2)oc1=O c1csc(c1)[*:1] CC(C)N(Cc1ccccc1)C(=O)Cn1nc(oc1=O)[*:1]
CC(C)N(Cc1ccccc1)C(=O)Cn1nc(-c2cccs2)oc1=O c1ccc(cc1)C[*:1] CC(C)N(C(=O)Cn1nc(oc1=O)-c1cccs1)[*:1]
CC[NH+](CC(=O)Nc1ccc(C(F)(F)F)cc1N)C1CC1 FC(F)(F)[*:1] CC[NH+](CC(=O)Nc1ccc(cc1N)[*:1])C1CC1
CC[NH+](CC(=O)Nc1ccc(C(F)(F)F)cc1N)C1CC1 C1CC1[*:1] CC[NH+](CC(=O)Nc1ccc(cc1N)C(F)(F)F)[*:1]
CC1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)CC1 C[C@@H](c1ccccc1)[*:1] CC1CCN(CC1)C(=O)COc1ccc(cc1)S(=O)(=O)N[*:1]
CC1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)CC1 CC1CCN(CC1)C(=O)[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)OC[*:1])c1ccccc1
CC1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)COc1ccc(cc1)S(=O)(=O)N[C@@H](C)[*:1]
CCN(CC(C)(C)O)C(=O)c1cnc2ncnn2c1C CC(C)(O)[*:1] CCN(C[*:1])C(=O)c1cnc2ncnn2c1C
CCN(CC(C)(C)O)C(=O)c1cnc2ncnn2c1C CC(C)(O)C[*:1] CCN(C(=O)c1cnc2ncnn2c1C)[*:1]
COc1ccccc1[C@H]1c2ccc3ccccc3c2Oc2nc[n+](CCCO)c(N)c21 OCC[*:1] COc1ccccc1[C@H]1c2ccc3ccccc3c2Oc2nc[n+](C[*:1])c(N)c21
COc1ccccc1[C@H]1c2ccc3ccccc3c2Oc2nc[n+](CCCO)c(N)c21 COc1ccccc1[*:1] Nc1c2c(nc[n+]1CCCO)Oc1c(ccc3ccccc13)[C@@H]2[*:1]
COc1ccccc1[C@H]1c2ccc3ccccc3c2Oc2nc[n+](CCCO)c(N)c21 OCCC[*:1] COc1ccccc1[C@H]1c2ccc3ccccc3c2Oc2nc[n+](c(N)c21)[*:1]
CCOc1ccccc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C CCO[*:1] Cc1c(nnn1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)c1nnn(c1C)[*:1]
O=C(CCC(=O)c1ccccc1)NCc1cc(Cl)c2c(c1)OCCO2 O=C(c1ccccc1)[*:1] O=C(CC[*:1])NCc1cc(Cl)c2OCCOc2c1
O=C(CCC(=O)c1ccccc1)NCc1cc(Cl)c2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])NCc1cc(Cl)c2OCCOc2c1
C[C@H](Sc1nnc(C[C@H](C)c2ccccc2)o1)C(=O)NC1CC1 C1CC1[*:1] C[C@H](Sc1nnc(C[C@H](C)c2ccccc2)o1)C(=O)N[*:1]
C[C@H](Sc1nnc(C[C@H](C)c2ccccc2)o1)C(=O)NC1CC1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(C[C@H](C)[*:1])o1)C(=O)NC1CC1
C[C@H](Sc1nnc(C[C@H](C)c2ccccc2)o1)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@@H](Cc1nnc(o1)S[C@@H](C)[*:1])c1ccccc1
Cc1ccccc1NC(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 Cc1ccccc1[*:1] O=C(Nc1cc2CCCN3C(=O)Cc(c1)c23)N[*:1]
Cc1ccc(N)cc1S[C@H](C)CC(=O)NN NNC(=O)[*:1] Cc1ccc(N)cc1S[C@H](C)C[*:1]
Cc1ccc(N)cc1S[C@H](C)CC(=O)NN NNC(=O)C[*:1] Cc1ccc(N)cc1S[C@H](C)[*:1]
CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 CC(C)(C)[*:1] O=C(NCC(=O)N1CCC[C@H](C1)[NH+]1CCCC1)c1ccc(cc1)[*:1]
O=C(CC[C@@H]1CCCOC1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 C1COC[C@@H](C1)CC[*:1] O=C(N1C[C@H](O)C[C@H]1c1cccc(c1)C(F)(F)F)[*:1]
O=C(CC[C@@H]1CCCOC1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 C1COC[C@@H](C1)C[*:1] O=C(C[*:1])N1C[C@H](O)C[C@H]1c1cccc(c1)C(F)(F)F
O=C(CC[C@@H]1CCCOC1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CC[C@@H]1CCCOC1)N1C[C@H](O)C[C@H]1c1cccc(c1)[*:1]
O=C(CC[C@@H]1CCCOC1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 C1COC[C@@H](C1)[*:1] O=C(CC[*:1])N1C[C@H](O)C[C@H]1c1cccc(c1)C(F)(F)F
COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3c(c2)OCCCO3)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc2OCCCOc2c1)N1CCCCC[C@H]1[*:1]
O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccccc1F)C2 Fc1ccccc1CC[*:1] O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccccc1F)C2 Fc1ccccc1C[*:1] O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)C[*:1]
O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccccc1F)C2 Fc1ccccc1[*:1] O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)CC[*:1]
O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccccc1F)C2 c1ccc(nc1)[*:1] O=C(CCc1ccccc1F)N1C[C@H]2CC[C@@H]1CN(C2)C(=O)[*:1]
CCC1(CC)[C@@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)[C@@H](C)[C@@H]1OC CC(=O)N[*:1] CCC1(CC)[C@@H](NS(=O)(=O)c2ccc(cc2)[*:1])[C@@H](C)[C@@H]1OC
CCc1ccc([C@H](C)NC(=O)[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)[*:1]
Cc1c(C2CC2)n[nH]c1NC(=O)Cc1ccccc1[N-]S(C)(=O)=O C1CC1[*:1] Cc1c(n[nH]c1NC(=O)Cc1ccccc1[N-]S(C)(=O)=O)[*:1]
C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccccc1 C[C@@H](C[*:1])c1ccccc1 O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl
C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)C1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl)[*:1]
C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccccc1 Clc1cccc(Cl)c1[*:1] C[C@@H](CNC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1
C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl
CC[C@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)[O-] O=C([O-])[*:1] CC[C@H]([NH2+][C@@H]1CCCC1(C)C)[*:1]
CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)CC[*:1]
CNC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C CSCC[*:1] CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[*:1]
CNC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C CNC(=O)[*:1] CSCC[C@@H](NC(=O)OC(C)(C)C)[*:1]
CNC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CNC(=O)[C@@H](CCSC)NC(=O)O[*:1]
CNC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C CSC[*:1] CNC(=O)[C@@H](C[*:1])NC(=O)OC(C)(C)C
CCOC(=O)N1CCN(c2ncc3c(n2)C[C@H](c2ccc(C)cc2)CC3=O)CC1 Cc1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)c1ncc2C(=O)C[C@@H](Cc2n1)[*:1]
N#Cc1cccc(CS(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 C1CC1[*:1] N#Cc1cccc(c1)CS(=O)(=O)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
N#Cc1cccc(CS(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 FC(F)(F)[*:1] N#Cc1cccc(c1)CS(=O)(=O)N[C@H](c1cccc(c1)[*:1])C1CC1
N#Cc1cccc(CS(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 N#Cc1cccc(c1)[*:1] O=S(=O)(C[*:1])N[C@H](c1cccc(c1)C(F)(F)F)C1CC1
N#Cc1cccc(CS(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 N#Cc1cccc(c1)C[*:1] O=S(=O)(N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
Cc1cccc(C(=O)N2CCCN(C(=O)Cn3cnnn3)CC2)c1 c1nnnn1C[*:1] Cc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)[*:1]
Cc1cccc(C(=O)N2CCCN(C(=O)Cn3cnnn3)CC2)c1 Cc1cccc(c1)[*:1] O=C(Cn1cnnn1)N1CCCN(CC1)C(=O)[*:1]
Cc1cccc(C(=O)N2CCCN(C(=O)Cn3cnnn3)CC2)c1 c1nnnn1[*:1] Cc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)C[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@H](C)Oc1ccc(C#N)cc1
CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1C N#Cc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)[C@H](C)O[*:1]
Cc1ccc(NC2CCC([NH3+])CC2)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC1CCC([NH3+])CC1
COc1ccc(Nc2nnc(SCC(=O)NC3CCCC3)s2)cc1 O=C(NC1CCCC1)[*:1] COc1ccc(cc1)Nc1nnc(SC[*:1])s1
COc1ccc(Nc2nnc(SCC(=O)NC3CCCC3)s2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)Nc1nnc(SCC(=O)N[*:1])s1
COc1ccc(Nc2nnc(SCC(=O)NC3CCCC3)s2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc(N[*:1])s1)NC1CCCC1
Cc1cc(F)c(CCCCCC(=O)[O-])cc1F O=C([O-])[*:1] Cc1cc(F)c(cc1F)CCCCC[*:1]
Cc1cc(F)c(CCCCCC(=O)[O-])cc1F O=C([O-])C[*:1] Cc1cc(F)c(cc1F)CCCC[*:1]
Cc1cc(F)c(CCCCCC(=O)[O-])cc1F O=C([O-])CC[*:1] Cc1cc(F)c(cc1F)CCC[*:1]
Cc1n[nH]c(C)c1CCC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 c1ccc(cc1)C[*:1] Cc1n[nH]c(C)c1CCC(=O)Nc1cc(ncn1)N1CCN(CC1)[*:1]
Cc1n[nH]c(C)c1CCC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 Cc1n[nH]c(C)c1CC[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)Cc1ccccc1)[*:1]
Cc1n[nH]c(C)c1CCC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1CCC(=O)Nc1cc(ncn1)N1CCN(CC1)C[*:1]
Cc1n[nH]c(C)c1CCC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 Cc1n[nH]c(C)c1C[*:1] O=C(C[*:1])Nc1cc(ncn1)N1CCN(CC1)Cc1ccccc1
Cc1n[nH]c(C)c1CCC(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 Cc1n[nH]c(C)c1[*:1] O=C(CC[*:1])Nc1cc(ncn1)N1CCN(CC1)Cc1ccccc1
C[C@@H](Sc1nncn1Cc1ccco1)C(=O)c1c[nH]c2ccccc12 c1coc(c1)C[*:1] C[C@@H](Sc1nncn1[*:1])C(=O)c1c[nH]c2ccccc12
C[C@@H](Sc1nncn1Cc1ccco1)C(=O)c1c[nH]c2ccccc12 c1coc(c1)[*:1] C[C@@H](Sc1nncn1C[*:1])C(=O)c1c[nH]c2ccccc12
NC(=O)c1cnc(NC2CCN(c3ncccn3)CC2)c(Cl)c1 c1cnc(nc1)[*:1] NC(=O)c1cnc(NC2CCN(CC2)[*:1])c(Cl)c1
NC(=O)c1cnc(NC2CCN(c3ncccn3)CC2)c(Cl)c1 NC(=O)[*:1] Clc1cc(cnc1NC1CCN(CC1)c1ncccn1)[*:1]
Cc1nn(C)c(C)c1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] Cc1nn(C)c(C)c1CNC(=O)N[C@H]1CC[C@@H](C1)[*:1]
Cc1ccccc1CN(C)[C@H](C[NH3+])c1cc(Cl)cs1 Clc1csc(c1)[*:1] Cc1ccccc1CN(C)[C@H](C[NH3+])[*:1]
COC(=O)c1cc(NC(=O)CSc2nncn2C)ccc1F Cn1cnnc1S[*:1] COC(=O)c1cc(ccc1F)NC(=O)C[*:1]
COC(=O)c1cc(NC(=O)CSc2nncn2C)ccc1F Cn1cnnc1[*:1] COC(=O)c1cc(ccc1F)NC(=O)CS[*:1]
COC(=O)c1cc(NC(=O)CSc2nncn2C)ccc1F COC(=O)[*:1] Cn1cnnc1SCC(=O)Nc1ccc(F)c(c1)[*:1]
CNC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)N[C@@H](c1ccccc1)[*:1]
CNC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CNC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H](c1ccccc1)c1ccc(F)cc1
CN(Cc1cnc(N(C)C)nc1)Cc1cc(-c2ccncc2)no1 c1cc(ccn1)[*:1] CN(Cc1cnc(nc1)N(C)C)Cc1cc(no1)[*:1]
CN(Cc1cnc(N(C)C)nc1)Cc1cc(-c2ccncc2)no1 CN(C)[*:1] CN(Cc1cnc(nc1)[*:1])Cc1cc(no1)-c1ccncc1
O=C(NC1CCCCCCC1)c1nnc(Cc2ccc(Cl)cc2)o1 Clc1ccc(cc1)C[*:1] O=C(NC1CCCCCCC1)c1nnc(o1)[*:1]
O=C(NC1CCCCCCC1)c1nnc(Cc2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] O=C(NC1CCCCCCC1)c1nnc(C[*:1])o1
O=C(NC1CCCCCCC1)c1nnc(Cc2ccc(Cl)cc2)o1 C1CCCC(CCC1)[*:1] O=C(N[*:1])c1nnc(Cc2ccc(Cl)cc2)o1
COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1OC COc1cccc(c1OC)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1OC CC(=O)N[*:1] COc1cccc(C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)[*:1])c1OC
COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1OC CC(=O)Nc1ccc(cc1)[*:1] COc1cccc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c1OC
COc1ccc(Cl)cc1C(=O)N1CSC[C@@H]1C(=O)N(C)C(C)C CC(C)N(C)C(=O)[*:1] COc1ccc(Cl)cc1C(=O)N1CSC[C@H]1[*:1]
COc1ccc(Cl)cc1C(=O)N1CSC[C@@H]1C(=O)N(C)C(C)C CC(C)[*:1] COc1ccc(Cl)cc1C(=O)N1CSC[C@@H]1C(=O)N(C)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 CC(=O)N(C)[*:1] C[C@H](NC(=O)Nc1cccc(c1)[*:1])c1ccc(C#N)cc1
CC(=O)N(C)c1cccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N[C@@H](C)[*:1]
C=CCn1c(SCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)nc2cc(Cl)ccc2c1=O C=CC[*:1] C[C@H]1CCC[C@H](NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2[*:1])[C@@H]1C
O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1[*:1]
O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1C[*:1]
O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccccc1 Oc1ccc(cc1)[*:1] O=C1SC(=C[*:1])C(=O)N1Cc1ccccc1
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1OC Clc1ccccc1[*:1] COc1cccc(/C=N/NC(=O)C(=O)N[*:1])c1OC
CCc1nc([C@H](C)NC(=O)CCc2c(C)nc(SC)[nH]c2=O)cs1 CCc1nc(cs1)[*:1] CSc1nc(C)c(CCC(=O)N[C@@H](C)[*:1])c(=O)[nH]1
CCC[C@H]1CCC[C@@H]([NH2+]Cc2c(C)nn(C)c2C)CC1 CCC[*:1] Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@@H](CC1)[*:1]
O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cc(Cl)ccc1F Fc1ccc(Cl)cc1[*:1] O=C(Nc1ccc(=O)n(c1)Cc1ccccc1Cl)[*:1]
O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cc(Cl)ccc1F Clc1ccccc1C[*:1] O=C(Nc1ccc(=O)n(c1)[*:1])c1cc(Cl)ccc1F
O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cc(Cl)ccc1F Clc1ccccc1[*:1] O=C(Nc1ccc(=O)n(c1)C[*:1])c1cc(Cl)ccc1F
CC(C)n1ccc2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)ccc21 CC(C)[*:1] CC1(C)C[C@@H](CCO1)NC(=O)c1ccc2c(ccn2[*:1])c1
C[NH+](C)[C@H](CNCc1ccsc1)c1cccs1 c1cc(cs1)[*:1] C[NH+](C)[C@H](CNC[*:1])c1cccs1
C[NH+](C)[C@H](CNCc1ccsc1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNCc1ccsc1)[*:1]
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 O=[N+]([O-])[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
C[C@@H](CNC(=O)NCC(C)(C)[NH+](C)C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)NCC(C)(C)[NH+](C)C)[*:1]
Cc1csc(=O)n1CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 Cc1csc(=O)n1[*:1] C[C@H](NC(=O)C[*:1])c1cccc(c1)C(F)(F)F
Cc1csc(=O)n1CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1csc(=O)n1CC(=O)N[C@@H](C)c1cccc(c1)[*:1]
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)cc1Cl FC(F)(F)[*:1] N#C[C@@H](c1ccccc1)c1ccc(cc1Cl)NC(=O)[C@@H]1CCCN1C(=O)OC[*:1]
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)cc1Cl c1ccc(cc1)[*:1] N#C[C@@H](c1ccc(cc1Cl)NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[*:1]
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)cc1Cl FC(F)(F)C[*:1] N#C[C@@H](c1ccccc1)c1ccc(cc1Cl)NC(=O)[C@@H]1CCCN1C(=O)O[*:1]
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)cc1Cl N#C[C@@H](c1ccccc1)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])[C@@H]1CCCN1C(=O)OCC(F)(F)F
O=C(CSc1ccc(Cl)nn1)Nc1cccc2nsnc12 Clc1ccc(nn1)[*:1] O=C(CS[*:1])Nc1cccc2nsnc12
Clc1cccc(-n2c(SCCc3ccccn3)nnc2N2CCCC2)c1 c1ccc(C[*:1])nc1 Clc1cccc(c1)-n1c(nnc1N1CCCC1)SC[*:1]
Clc1cccc(-n2c(SCCc3ccccn3)nnc2N2CCCC2)c1 C1CCN(C1)[*:1] Clc1cccc(c1)-n1c(nnc1[*:1])SCCc1ccccn1
Clc1cccc(-n2c(SCCc3ccccn3)nnc2N2CCCC2)c1 c1ccc(CC[*:1])nc1 Clc1cccc(c1)-n1c(nnc1N1CCCC1)S[*:1]
Clc1cccc(-n2c(SCCc3ccccn3)nnc2N2CCCC2)c1 c1ccc(nc1)[*:1] Clc1cccc(c1)-n1c(nnc1N1CCCC1)SCC[*:1]
Clc1cccc(-n2c(SCCc3ccccn3)nnc2N2CCCC2)c1 Clc1cccc(c1)[*:1] c1ccc(CCSc2nnc(N3CCCC3)n2[*:1])nc1
CCC[NH+]1CCN(c2ccccc2CN2CCN(CC(F)F)CC2)CC1 FC(F)[*:1] CCC[NH+]1CCN(CC1)c1ccccc1CN1CCN(CC1)C[*:1]
CCC[NH+]1CCN(c2ccccc2CN2CCN(CC(F)F)CC2)CC1 FC(F)C[*:1] CCC[NH+]1CCN(CC1)c1ccccc1CN1CCN(CC1)[*:1]
Cc1ncc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ncc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)n1[*:1]
Cc1cc(OCC(=O)c2cccs2)ccc1Cl c1csc(c1)[*:1] Cc1cc(ccc1Cl)OCC(=O)[*:1]
C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)[*:1]
C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)C1CC1 C[C@@H](C1CC1)[*:1] O=C(Cn1nnc2ccccc2c1=O)N[*:1]
CC(C)(C)n1ncc2c(=O)[nH]c(NCc3cn(-c4ccccc4)nn3)nc21 c1ccc(cc1)[*:1] CC(C)(C)n1ncc2c(=O)[nH]c(nc21)NCc1cn(nn1)[*:1]
CC(C)(C)n1ncc2c(=O)[nH]c(NCc3cn(-c4ccccc4)nn3)nc21 CC(C)(C)[*:1] O=c1[nH]c(nc2c1cnn2[*:1])NCc1cn(nn1)-c1ccccc1
Cc1ccc(NC(=O)c2cccnc2C(=O)Nc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1cccnc1C(=O)N[*:1]
Cc1ccc(NC(=O)c2cccnc2C(=O)Nc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1ncccc1C(=O)N[*:1]
CCCn1c(N)c(Br)c(=O)n(CC(=O)NC)c1=O CNC(=O)C[*:1] CCCn1c(N)c(Br)c(=O)n(c1=O)[*:1]
CCCn1c(N)c(Br)c(=O)n(CC(=O)NC)c1=O CCC[*:1] CNC(=O)Cn1c(=O)c(Br)c(N)n(c1=O)[*:1]
CCCn1c(N)c(Br)c(=O)n(CC(=O)NC)c1=O CNC(=O)[*:1] CCCn1c(N)c(Br)c(=O)n(C[*:1])c1=O
Cc1ccc(/C=C(/C#N)[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(C=C(C#N)[*:1])cc1
COC(=O)c1ccc(OC)cc1OCC(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC(=O)c1ccc(cc1OCC(=O)N[*:1])OC
COC(=O)c1ccc(OC)cc1OCC(=O)Nc1ccc(F)c(F)c1 COC(=O)[*:1] COc1ccc(c(c1)OCC(=O)Nc1ccc(F)c(F)c1)[*:1]
C[NH+](C)[C@H]1COC[C@]1(C)C(=O)[O-] O=C([O-])[*:1] C[NH+](C)[C@H]1COC[C@@]1(C)[*:1]
O=C(COc1ccccc1F)Nc1ccc2c(c1)C(=O)NCC2 Fc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc2CCNC(=O)c2c1
CC(C)(C)c1csc([C@](C)([NH3+])C2(C)CC2)n1 CC1(CC1)[*:1] CC(C)(C)c1csc(n1)[C@](C)([NH3+])[*:1]
CC(C)(C)c1csc([C@](C)([NH3+])C2(C)CC2)n1 CC(C)(C)[*:1] CC1(CC1)[C@@](C)([NH3+])c1nc(cs1)[*:1]
C[C@H]1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)C[C@H](C)S1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)S1)C(=O)c1cc([nH]n1)[*:1]
CCN(C[C@@H](C)C(N)=S)C(=O)c1cccnc1C NC(=S)[*:1] CCN(C[C@@H](C)[*:1])C(=O)c1cccnc1C
CCN(C[C@@H](C)C(N)=S)C(=O)c1cccnc1C C[C@@H](C(N)=S)[*:1] CCN(C[*:1])C(=O)c1cccnc1C
CCN(C[C@@H](C)C(N)=S)C(=O)c1cccnc1C C[C@H](C[*:1])C(N)=S CCN(C(=O)c1cccnc1C)[*:1]
CO[C@H](c1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)c[nH]1 Brc1ccc(cc1)[*:1] CO[C@H](c1nc(c[nH]1)-c1ccc(Br)cc1)[*:1]
CO[C@H](c1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)c[nH]1 Brc1ccc(cc1)[*:1] CO[C@H](c1ccc(Br)cc1)c1nc(c[nH]1)[*:1]
O=C(Cc1ccc(OC2CCCC2)cc1)N1CCN(c2cccc3cnccc23)CC1 C1CCC(C1)O[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCN(CC1)c1cccc2cnccc12
O=C(Cc1ccc(OC2CCCC2)cc1)N1CCN(c2cccc3cnccc23)CC1 c1cc(c2ccncc2c1)[*:1] O=C(Cc1ccc(cc1)OC1CCCC1)N1CCN(CC1)[*:1]
O=C(Cc1ccc(OC2CCCC2)cc1)N1CCN(c2cccc3cnccc23)CC1 C1CCC(C1)[*:1] O=C(Cc1ccc(cc1)O[*:1])N1CCN(CC1)c1cccc2cnccc12
CC(=O)c1sc(NC(=O)Cc2c(C)noc2C)nc1-c1ccccc1 CC(=O)[*:1] Cc1noc(C)c1CC(=O)Nc1nc(-c2ccccc2)c(s1)[*:1]
CC(=O)c1sc(NC(=O)Cc2c(C)noc2C)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1sc(nc1[*:1])NC(=O)Cc1c(C)noc1C
CC(=O)c1sc(NC(=O)Cc2c(C)noc2C)nc1-c1ccccc1 Cc1noc(C)c1[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)C[*:1]
CC(=O)c1sc(NC(=O)Cc2c(C)noc2C)nc1-c1ccccc1 Cc1noc(C)c1C[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)[*:1]
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(OCC(F)F)n1 CC(C)(C)[*:1] O=C(O[*:1])[C@@H]1CCCN1C(=O)c1cccc(n1)OCC(F)F
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(n1)[*:1]
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(OCC(F)F)n1 CC(C)(C)OC(=O)[*:1] O=C(c1cccc(n1)OCC(F)F)N1CCC[C@H]1[*:1]
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(OCC(F)F)n1 FC(F)[*:1] CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(n1)OC[*:1]
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(n1)O[*:1]
N#CC(=N)[C@@H](C#N)/N=C/c1c(O)cc(I)cc1I N#CC(=N)[*:1] N#C[C@@H](/N=C/c1c(O)cc(I)cc1I)[*:1]
Cc1ccccc1C(=O)N[C@@H](C)C(=O)NCc1ccco1 c1coc(c1)[*:1] Cc1ccccc1C(=O)N[C@@H](C)C(=O)NC[*:1]
Cc1ccccc1C(=O)N[C@@H](C)C(=O)NCc1ccco1 c1coc(c1)C[*:1] Cc1ccccc1C(=O)N[C@@H](C)C(=O)N[*:1]
Cc1ccccc1C(=O)N[C@@H](C)C(=O)NCc1ccco1 Cc1ccccc1[*:1] C[C@H](NC(=O)[*:1])C(=O)NCc1ccco1
CCCC1=C2[C@H](c3cc(C)ccc3C)CC(=O)N[C@@H]2N=N1 CCC[*:1] Cc1ccc(C)c(c1)[C@@H]1CC(=O)N[C@@H]2N=NC(=C12)[*:1]
COc1ncnc(N[C@@H](C)[C@H]2CCCO2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ncnc(N[C@@H](C)[C@H]2CCCO2)c1[*:1]
COc1ncnc(N[C@@H](C)[C@H]2CCCO2)c1[N+](=O)[O-] C1CO[C@H](C1)[*:1] COc1ncnc(N[C@@H](C)[*:1])c1[N+](=O)[O-]
O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CN1CCC([NH+]2CCCC2)CC1 c1ccc(cc1)CC[*:1] O=C1N(CCC[C@@]1(O)CN1CCC(CC1)[NH+]1CCCC1)C[*:1]
O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CN1CCC([NH+]2CCCC2)CC1 c1ccc(cc1)C[*:1] O=C1N(CCC[C@@]1(O)CN1CCC(CC1)[NH+]1CCCC1)CC[*:1]
O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CN1CCC([NH+]2CCCC2)CC1 c1ccc(cc1)[*:1] O=C1N(CCC[C@@]1(O)CN1CCC(CC1)[NH+]1CCCC1)CCC[*:1]
O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CN1CCC([NH+]2CCCC2)CC1 c1ccc(cc1)CCC[*:1] O=C1N(CCC[C@@]1(O)CN1CCC(CC1)[NH+]1CCCC1)[*:1]
C[C@H](CNC(=O)c1ccc(-c2cnco2)cc1)Oc1ccc(Cl)cc1 c1ncc(o1)[*:1] C[C@H](CNC(=O)c1ccc(cc1)[*:1])Oc1ccc(Cl)cc1
C[C@H](CNC(=O)c1ccc(-c2cnco2)cc1)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccc(cc1)-c1cnco1)O[*:1]
C[C@H](CNC(=O)c1ccc(-c2cnco2)cc1)Oc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] C[C@H](CNC(=O)c1ccc(cc1)-c1cnco1)[*:1]
CC(C)(C)CN(CCC#N)C(=O)c1cn(Cc2cccs2)nn1 N#CC[*:1] CC(C)(C)CN(C[*:1])C(=O)c1cn(Cc2cccs2)nn1
CC(C)(C)CN(CCC#N)C(=O)c1cn(Cc2cccs2)nn1 N#CCC[*:1] CC(C)(C)CN(C(=O)c1cn(Cc2cccs2)nn1)[*:1]
CC(C)(C)CN(CCC#N)C(=O)c1cn(Cc2cccs2)nn1 CC(C)(C)[*:1] N#CCCN(C[*:1])C(=O)c1cn(Cc2cccs2)nn1
CC(C)(C)CN(CCC#N)C(=O)c1cn(Cc2cccs2)nn1 c1csc(c1)C[*:1] CC(C)(C)CN(CCC#N)C(=O)c1cn(nn1)[*:1]
CC(C)(C)CN(CCC#N)C(=O)c1cn(Cc2cccs2)nn1 c1csc(c1)[*:1] CC(C)(C)CN(CCC#N)C(=O)c1cn(C[*:1])nn1
CC(C)(C)CN(CCC#N)C(=O)c1cn(Cc2cccs2)nn1 CC(C)(C)C[*:1] N#CCCN(C(=O)c1cn(Cc2cccs2)nn1)[*:1]
O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(Nc1ccc(cc1C(F)(F)F)N1CCOCC1)N[*:1]
O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1CCCCCC1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1[*:1])N1CCOCC1)NC1CCCCCC1
O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1CCCCCC1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1C(F)(F)F)[*:1])NC1CCCCCC1
CCOC(=O)Nc1cc(C2=N[C@H](C(=O)OC)CO2)ccn1 COC(=O)[*:1] CCOC(=O)Nc1cc(ccn1)C1=N[C@H](CO1)[*:1]
CCOC(=O)Nc1cc(C2=N[C@H](C(=O)OC)CO2)ccn1 CCOC(=O)N[*:1] COC(=O)[C@@H]1COC(=N1)c1ccnc(c1)[*:1]
COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 c1coc(c1)[*:1] COc1ccc(cc1)N1C(=O)[C@H]2ON(c3ccccc3)[C@H]([C@H]2C1=O)[*:1]
COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)[C@H]2ON([C@H](c3ccco3)[C@H]2C1=O)[*:1]
COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 COc1ccc(cc1)[*:1] O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccco3)[C@H]2C(=O)N1[*:1]
N#Cc1cccnc1N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(CO)ccc23)CC1 N#Cc1cccnc1[*:1] O=C([O-])[C@@H](c1c[nH]c2cc(ccc12)CO)[NH+]1CCN(CC1)[*:1]
CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(OCc3ccccc3C)cc2)C1 Cc1ccccc1[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@H](C)c1ccc(cc1)OC[*:1]
CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(OCc3ccccc3C)cc2)C1 Cc1ccccc1C[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@H](C)c1ccc(cc1)O[*:1]
C[NH+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1Cl Clc1ccccc1[*:1] C[NH+](CC(=O)NC1(C#N)CCCCC1)C[*:1]
CC[C@](C)(Nc1ncnc(OC)c1[N+](=O)[O-])C(=O)[O-] O=[N+]([O-])[*:1] CC[C@](C)(Nc1ncnc(OC)c1[*:1])C(=O)[O-]
CC[C@](C)(Nc1ncnc(OC)c1[N+](=O)[O-])C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(Nc1ncnc(OC)c1[N+](=O)[O-])[*:1]
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1NC(=S)NC(=O)c1ccc(cc1)[*:1])-c1nn2c(C)nnc2s1
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 Cc1nnc2sc(nn12)[*:1] Cc1ccc(cc1NC(=S)NC(=O)c1ccc(cc1)C(C)(C)C)[*:1]
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=S)NC(=O)[*:1])-c1nn2c(C)nnc2s1
C[C@H]1CCC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)c1cccc(c1)[*:1]
CCOC(=O)c1cs/c(=N\C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)[nH]1 Fc1ccc(cc1Cl)[*:1] CCOC(=O)c1cs/c(=N\C(=O)[C@@H]2CC(=O)N(C2)[*:1])[nH]1
CCOC(=O)c1cs/c(=N\C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)[nH]1 CCOC(=O)[*:1] O=C(/N=c1/[nH]c(cs1)[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)c(Cl)c1
CC(C)NC(=O)CCNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 CC(C)NC(=O)[*:1] O=C(NCC[*:1])N[C@H](CO)c1ccc(Cl)c(F)c1
CC(C)NC(=O)CCNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 CC(C)NC(=O)C[*:1] O=C(NC[*:1])N[C@H](CO)c1ccc(Cl)c(F)c1
CC(C)NC(=O)CCNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 CC(C)[*:1] O=C(CCNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1)N[*:1]
CC(C)(C)n1nnn(CN2CCC[C@H]2c2nc3ccccc3s2)c1=S CC(C)(C)[*:1] S=c1n(CN2CCC[C@H]2c2nc3ccccc3s2)nnn1[*:1]
CC(C)n1ncc2cc(C[NH+]3C[C@@H](C)[C@H](C)C3)c(Cl)nc21 CC(C)[*:1] C[C@@H]1C[NH+](Cc2cc3cnn(c3nc2Cl)[*:1])C[C@H]1C
O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cn1cc(ccc1=O)S(=O)(=O)N1CCOCC1)NC[*:1]
O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)NCc1ccccc1Cl O=S(=O)(N1CCOCC1)[*:1] O=C(Cn1cc(ccc1=O)[*:1])NCc1ccccc1Cl
O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(Cn1cc(ccc1=O)S(=O)(=O)N1CCOCC1)N[*:1]
CCOc1ccccc1C1=C[C@H](C(=O)N/N=C(/C)c2ccccc2)N=N1 CCO[*:1] C/C(=N/NC(=O)[C@H]1C=C(N=N1)c1ccccc1[*:1])c1ccccc1
CCOc1ccccc1C1=C[C@H](C(=O)N/N=C(/C)c2ccccc2)N=N1 c1ccc(cc1)[*:1] CCOc1ccccc1C1=C[C@@H](N=N1)C(=O)NN=C(C)[*:1]
CCN1C[C@@H](CN(C)C(=O)N[C@@H](C)c2cc(C)oc2C)Oc2ccccc21 Cc1cc(c(C)o1)[C@H](C)[*:1] CCN1C[C@@H](CN(C)C(=O)N[*:1])Oc2ccccc21
CCN1C[C@@H](CN(C)C(=O)N[C@@H](C)c2cc(C)oc2C)Oc2ccccc21 Cc1cc(c(C)o1)[*:1] CCN1C[C@@H](CN(C)C(=O)N[C@@H](C)[*:1])Oc2ccccc21
CNC(=O)NCC(=O)Nc1ccccc1C(=O)NCc1ccco1 CNC(=O)N[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NCc1ccco1
CNC(=O)NCC(=O)Nc1ccccc1C(=O)NCc1ccco1 c1coc(c1)[*:1] CNC(=O)NCC(=O)Nc1ccccc1C(=O)NC[*:1]
CNC(=O)NCC(=O)Nc1ccccc1C(=O)NCc1ccco1 CNC(=O)NC[*:1] O=C(NCc1ccco1)c1ccccc1NC(=O)[*:1]
CNC(=O)NCC(=O)Nc1ccccc1C(=O)NCc1ccco1 c1coc(c1)C[*:1] CNC(=O)NCC(=O)Nc1ccccc1C(=O)N[*:1]
Cc1nc(C)n(CC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 Cc1nc(C)n(C[*:1])n1 O=C(Nc1ccc(cc1)OCc1ccccc1)[*:1]
Cc1nc(C)n(CC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 c1ccc(cc1)C[*:1] Cc1nc(C)n(CC(=O)Nc2ccc(cc2)O[*:1])n1
Cc1nc(C)n(CC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 c1ccc(cc1)CO[*:1] Cc1nc(C)n(CC(=O)Nc2ccc(cc2)[*:1])n1
Cc1nc(C)n(CC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1nc(C)n(CC(=O)Nc2ccc(cc2)OC[*:1])n1
Cc1nc(C)n(CC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 Cc1nc(C)n(n1)[*:1] O=C(C[*:1])Nc1ccc(cc1)OCc1ccccc1
CC[C@@]1(c2ccc(NC(=O)CCc3c(C)nn(C)c3C)cc2)CCC(=O)NC1=O Cc1nn(C)c(C)c1C[*:1] CC[C@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)C[*:1]
CC[C@@]1(c2ccc(NC(=O)CCc3c(C)nn(C)c3C)cc2)CCC(=O)NC1=O Cc1nn(C)c(C)c1[*:1] CC[C@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)CC[*:1]
COC(=O)[C@H](Cl)c1ccccc1Br COC(=O)[*:1] Cl[C@H](c1ccccc1Br)[*:1]
C[C@H](C1CC1)N(C)C(=O)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](C1CC1)N(C)C(=O)C(=O)N[*:1]
C[C@H](C1CC1)N(C)C(=O)C(=O)Nc1ccccc1 C1CC1[*:1] C[C@H](N(C)C(=O)C(=O)Nc1ccccc1)[*:1]
CS(=O)(=O)NCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 CS(=O)(=O)NC[*:1] O=C(NC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
CS(=O)(=O)NCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 CS(=O)(=O)N[*:1] O=C(NCC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
CS(=O)(=O)NCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 CS(=O)(=O)NCC[*:1] O=C(NC1CCC(CC1)[NH+]1CCCCC1)N[*:1]
Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)c1 c1csc(c1)[*:1] Cc1ccc(Br)c(c1)[N-]S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)c1 O=C(NCc1cccs1)[*:1] Cc1ccc(Br)c(c1)[N-]S(=O)(=O)c1cccc(c1)[*:1]
Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)c1 c1csc(c1)C[*:1] Cc1ccc(Br)c(c1)[N-]S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
COC(=O)[C@H]1CCCC[C@H]1NC(=O)Cn1c(=O)oc2ccccc21 COC(=O)[*:1] O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCCC[C@@H]1[*:1]
COc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)c(OC)c1 Clc1ccc(cc1)[*:1] COc1ccc(NC(=O)COC(=O)[*:1])c(c1)OC
O=C(NCc1ccccn1)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(NCc1ccccn1)c1ccc(o1)[*:1]
O=C(NCc1ccccn1)c1ccc([N+](=O)[O-])o1 c1ccc(nc1)[*:1] O=C(NC[*:1])c1ccc(o1)[N+](=O)[O-]
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CC(=O)N(C2CC2)C1 O=C1C[C@H](CN1C1CC1)[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCC1)N[*:1]
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCC1)N[C@@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n23)cc1 CC(=O)N[*:1] Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccc(cc3)[*:1])n12
CC(=O)Nc1ccc(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n23)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N[*:1])n12
CC(C)COc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CC(C)COc1ccc(cc1)[C@@]1(C)Nc2ccccc2C(=O)N1C[*:1]
CC(C)COc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 CC(C)C[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccc(cc1)O[*:1]
CC(C)COc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 CC(C)[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccc(cc1)OC[*:1]
CC(C)COc1ccc([C@@]2(C)Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 CC(C)CO[*:1] C[C@@]1(Nc2ccccc2C(=O)N1C[C@H]1CCCO1)c1ccc(cc1)[*:1]
COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)C(=O)Nc1cc2CCC(=O)N3CCc(c1)c23)[*:1]
COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])C(=O)Nc1cc2CCC(=O)N3CCc(c1)c23
[NH2+]=C(N/N=C\c1ccccc1F)N/N=C\c1ccccc1F Fc1ccccc1[*:1] [NH2+]=C(N/N=C\c1ccccc1F)NN=C[*:1]
O=C(N[C@H]1CCN(C(=O)c2[nH]nc3c2COCC3)C1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1[nH]nc2CCOCc21)N1CC[C@@H](C1)NC(=O)[*:1]
COC(=O)[C@@H]1[C@@H](NC(=O)COCC(=O)[O-])CCN1C(C)=O O=C([O-])C[*:1] COC(=O)[C@@H]1[C@H](CCN1C(C)=O)NC(=O)CO[*:1]
COC(=O)[C@@H]1[C@@H](NC(=O)COCC(=O)[O-])CCN1C(C)=O O=C([O-])[*:1] COC(=O)[C@@H]1[C@H](CCN1C(C)=O)NC(=O)COC[*:1]
COC(=O)[C@@H]1[C@@H](NC(=O)COCC(=O)[O-])CCN1C(C)=O O=C([O-])CO[*:1] COC(=O)[C@@H]1[C@H](CCN1C(C)=O)NC(=O)C[*:1]
COC(=O)[C@@H]1[C@@H](NC(=O)COCC(=O)[O-])CCN1C(C)=O COC(=O)[*:1] CC(=O)N1CC[C@H](NC(=O)COCC(=O)[O-])[C@H]1[*:1]
COC(=O)[C@@H]1[C@@H](NC(=O)COCC(=O)[O-])CCN1C(C)=O O=C([O-])COC[*:1] COC(=O)[C@@H]1[C@H](CCN1C(C)=O)NC(=O)[*:1]
Cc1nc(C)c(CC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(=O)[nH]1 C1CO[C@@H](C1)[*:1] Cc1nc(C)c(CC(=O)N[C@H](c2ccc(F)cc2)[*:1])c(=O)[nH]1
Cc1nc(C)c(CC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(=O)[nH]1 Fc1ccc(cc1)[*:1] Cc1nc(C)c(CC(=O)N[C@H]([C@@H]2CCCO2)[*:1])c(=O)[nH]1
CC(C)CN(C(=O)NC(=O)CCCC(=O)[O-])C1CCCC1 O=C([O-])C[*:1] CC(C)CN(C(=O)NC(=O)CC[*:1])C1CCCC1
CC(C)CN(C(=O)NC(=O)CCCC(=O)[O-])C1CCCC1 O=C([O-])CCC[*:1] CC(C)CN(C(=O)NC(=O)[*:1])C1CCCC1
CC(C)CN(C(=O)NC(=O)CCCC(=O)[O-])C1CCCC1 CC(C)C[*:1] O=C([O-])CCCC(=O)NC(=O)N(C1CCCC1)[*:1]
CC(C)CN(C(=O)NC(=O)CCCC(=O)[O-])C1CCCC1 O=C([O-])CC[*:1] CC(C)CN(C(=O)NC(=O)C[*:1])C1CCCC1
CC(C)CN(C(=O)NC(=O)CCCC(=O)[O-])C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(C(=O)NC(=O)CCCC(=O)[O-])[*:1]
CC(C)CN(C(=O)NC(=O)CCCC(=O)[O-])C1CCCC1 CC(C)[*:1] O=C([O-])CCCC(=O)NC(=O)N(C[*:1])C1CCCC1
CC(C)CN(C(=O)NC(=O)CCCC(=O)[O-])C1CCCC1 O=C([O-])[*:1] CC(C)CN(C(=O)NC(=O)CCC[*:1])C1CCCC1
O=C1CCc2cc(C3=N[NH+]=C(NCC(F)(F)F)SC3)c(F)cc2N1 FC(F)(F)C[*:1] O=C1CCc2cc(C3CSC(N[*:1])=[NH+]N=3)c(F)cc2N1
O=C1CCc2cc(C3=N[NH+]=C(NCC(F)(F)F)SC3)c(F)cc2N1 FC(F)(F)[*:1] O=C1CCc2cc(C3CSC(NC[*:1])=[NH+]N=3)c(F)cc2N1
C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 c1cn(cn1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc(c(F)c1)[*:1]
S=C1OCCN1CN1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] S=C1OCCN1CN1CCO[C@@H](C1)[*:1]
S=C1OCCN1CN1CCO[C@@H](c2ccccc2)C1 S=C1OCCN1[*:1] c1ccc(cc1)[C@H]1CN(CCO1)C[*:1]
O=[N+]([O-])c1cccnc1N1CCCCC1 O=[N+]([O-])[*:1] c1cnc(c(c1)[*:1])N1CCCCC1
CCOc1cccc(NC(=O)N2CCC[C@H](CO)C2)c1 CCO[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@H](CO)C1
CC(C)C/C=C(\C[NH+]1CC(c2ccccn2)C1)c1ccccc1 CC(C)C[*:1] C(=C(C[NH+]1CC(C1)c1ccccn1)c1ccccc1)[*:1]
CC(C)C/C=C(\C[NH+]1CC(c2ccccn2)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C/C=C(\C[NH+]1CC(C1)c1ccccn1)[*:1]
CC(C)C/C=C(\C[NH+]1CC(c2ccccn2)C1)c1ccccc1 c1ccc(nc1)[*:1] CC(C)C/C=C(\C[NH+]1CC(C1)[*:1])c1ccccc1
CC(C)C/C=C(\C[NH+]1CC(c2ccccn2)C1)c1ccccc1 CC(C)[*:1] C(\C[*:1])=C(\C[NH+]1CC(C1)c1ccccn1)c1ccccc1
CCOCCNC(=O)C(=O)Nc1ccc2oc(C)nc2c1 CCO[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NCC[*:1]
CCOCCNC(=O)C(=O)Nc1ccc2oc(C)nc2c1 CCOCC[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[*:1]
CCOCCNC(=O)C(=O)Nc1ccc2oc(C)nc2c1 CCOC[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NC[*:1]
CC(C)CN(C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O Clc1ccc(cc1)[*:1] CC(C)CN(C(=O)c1ccc(s1)[*:1])c1c(N)n(CC(C)C)c(=O)[nH]c1=O
CC(C)CN(C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)[*:1] CC(C)CN(C(=O)c1ccc(s1)-c1ccc(Cl)cc1)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CC(C)CN(C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)[*:1] CC(C)Cn1c(N)c(c(=O)[nH]c1=O)N(C[*:1])C(=O)c1ccc(s1)-c1ccc(Cl)cc1
CC(C)CN(C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)C[*:1] CC(C)CN(C(=O)c1ccc(s1)-c1ccc(Cl)cc1)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CC(C)CN(C(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O CC(C)C[*:1] CC(C)Cn1c(N)c(c(=O)[nH]c1=O)N(C(=O)c1ccc(s1)-c1ccc(Cl)cc1)[*:1]
C[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C#N)cc1 Clc1ccc(O[*:1])c(Cl)c1 C[C@H](OC(=O)[C@@H](C)[*:1])C(=O)Nc1ccc(C#N)cc1
C[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C#N)cc1 Clc1ccc(c(Cl)c1)[*:1] C[C@H](OC(=O)[C@@H](C)O[*:1])C(=O)Nc1ccc(C#N)cc1
C[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N[*:1]
Cc1ccc(-c2noc(CN3C(=O)C(=O)N(C(C)C)C3=O)n2)cc1F Cc1ccc(cc1F)[*:1] CC(C)N1C(=O)C(=O)N(Cc2nc(no2)[*:1])C1=O
Cc1ccc(-c2noc(CN3C(=O)C(=O)N(C(C)C)C3=O)n2)cc1F CC(C)[*:1] Cc1ccc(cc1F)-c1noc(CN2C(=O)C(=O)N(C2=O)[*:1])n1
CCc1ccccc1NC(=O)N1CCC[C@@H](c2nnc(C[NH+](C)C)n2C)C1 CCc1ccccc1[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C1)C(=O)N[*:1]
O=C(NCc1[nH+]ccc2ccccc12)c1ccc(Cl)o1 Clc1ccc(o1)[*:1] O=C(NCc1[nH+]ccc2ccccc12)[*:1]
CC[C@H](Oc1c(-c2ccc(C)cc2)oc2ccccc2c1=O)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] CC[C@H](Oc1c(oc2ccccc2c1=O)-c1ccc(C)cc1)[*:1]
CC[C@H](Oc1c(-c2ccc(C)cc2)oc2ccccc2c1=O)C(=O)Nc1nccs1 Cc1ccc(cc1)[*:1] CC[C@H](Oc1c(oc2ccccc2c1=O)[*:1])C(=O)Nc1nccs1
CC[C@H](Oc1c(-c2ccc(C)cc2)oc2ccccc2c1=O)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC[C@H](Oc1c(oc2ccccc2c1=O)-c1ccc(C)cc1)C(=O)N[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(C(=O)N(C)C)cc2)n1 CC(C)c1csc(n1)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)[C@@H](C#N)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(C(=O)N(C)C)cc2)n1 CN(C)C(=O)[*:1] CC(C)c1csc(n1)[C@H](C#N)C(=O)c1ccc(cc1)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(C(=O)N(C)C)cc2)n1 CC(C)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)[C@@H](C#N)c1nc(cs1)[*:1]
CN1N/C(=C2/C=Nc3ccccc32)CS/C1=[NH+]\Cc1ccccc1 c1ccc(cc1)C[*:1] CN1N/C(CSC1=[NH+][*:1])=C1/C=Nc2ccccc21
CN1N/C(=C2/C=Nc3ccccc32)CS/C1=[NH+]\Cc1ccccc1 c1ccc(cc1)[*:1] CN1N/C(CS/C1=[NH+]\C[*:1])=C1/C=Nc2ccccc21
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1 CN(C)C(=O)C[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1 CCC(=O)N[*:1] CN(C)C(=O)Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1 CN(C)C(=O)[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C[*:1]
CN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 C1CCC(CC1)[*:1] CN1C(=O)C(=C2CCCC2)c2cc(ccc21)S(=O)(=O)N(C)[*:1]
Cc1cccc(OCC(=O)N2CCN(CC(F)(F)F)CC2)c1 FC(F)(F)C[*:1] Cc1cccc(c1)OCC(=O)N1CCN(CC1)[*:1]
Cc1cccc(OCC(=O)N2CCN(CC(F)(F)F)CC2)c1 FC(F)(F)[*:1] Cc1cccc(c1)OCC(=O)N1CCN(CC1)C[*:1]
Cc1cccc(OCC(=O)N2CCN(CC(F)(F)F)CC2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])N1CCN(CC1)CC(F)(F)F
Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3cccc(F)c3)c12 Fc1cccc(c1)C[*:1] Cc1nn(C)c2nc(cc(C(=O)N[*:1])c12)C(C)C
Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3cccc(F)c3)c12 CC(C)[*:1] Cc1nn(C)c2nc(cc(C(=O)NCc3cccc(F)c3)c12)[*:1]
Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3cccc(F)c3)c12 Fc1cccc(c1)[*:1] Cc1nn(C)c2nc(cc(C(=O)NC[*:1])c12)C(C)C
Cc1ccc(-n2cc(C(=O)NOCC(N)=O)nn2)cc1 NC(=O)[*:1] Cc1ccc(cc1)-n1cc(nn1)C(=O)NOC[*:1]
Cc1ccc(-n2cc(C(=O)NOCC(N)=O)nn2)cc1 NC(=O)C[*:1] Cc1ccc(cc1)-n1cc(nn1)C(=O)NO[*:1]
CC1(C)CC(=O)C(=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C1 FC(F)(F)[*:1] CC1(C)CC(=O)C(=CNc2cc(cc(c2)[*:1])C(F)(F)F)C(=O)C1
Cc1ccc(-n2ccnc2SCCNS(=O)(=O)c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1ccnc1SCCNS(=O)(=O)[*:1]
Cc1ccc(-n2ccnc2SCCNS(=O)(=O)c2ccccc2)cc1C Cc1ccc(cc1C)[*:1] O=S(=O)(NCCSc1nccn1[*:1])c1ccccc1
C[C@@]1(C(=O)NCC(C2CC2)C2CC2)Cc2ccccc2C(=O)O1 C1CC1C(C1CC1)[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)NC[*:1]
C[C@@]1(C(=O)NCC(C2CC2)C2CC2)Cc2ccccc2C(=O)O1 C1CC1[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)NCC(C1CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CCO[C@H](C1)c1ccc(F)cc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCO[C@@H](C1)[*:1]
N#CCCN(Cc1ccccn1)C1CCSCC1 C1CC(CCS1)[*:1] N#CCCN(Cc1ccccn1)[*:1]
N#CCCN(Cc1ccccn1)C1CCSCC1 N#CCC[*:1] c1ccc(CN(C2CCSCC2)[*:1])nc1
N#CCCN(Cc1ccccn1)C1CCSCC1 c1ccc(nc1)[*:1] N#CCCN(C[*:1])C1CCSCC1
N#CCCN(Cc1ccccn1)C1CCSCC1 N#CC[*:1] c1ccc(CN(C[*:1])C2CCSCC2)nc1
CCNc1ncc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cn1 Fc1ccc(cc1)[*:1] CCNc1ncc(cn1)C(=O)N1CCCC[C@H]1[*:1]
CCNc1ncc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cn1 CCN[*:1] O=C(c1cnc(nc1)[*:1])N1CCCC[C@@H]1c1ccc(F)cc1
CCCC[C@@H](/C=C1\CCc2cc(N)ccc21)CC CCC[*:1] CC[C@H](/C=C1\CCc2cc(N)ccc21)C[*:1]
CCCC[C@@H](/C=C1\CCc2cc(N)ccc21)CC CCCC[*:1] CC[C@H](/C=C1\CCc2cc(N)ccc21)[*:1]
Cc1oc(-c2ccco2)nc1C[NH+]1CCN(C[C@H](C)O)CC1 C[C@H](O)C[*:1] Cc1oc(nc1C[NH+]1CCN(CC1)[*:1])-c1ccco1
Cc1oc(-c2ccco2)nc1C[NH+]1CCN(C[C@H](C)O)CC1 C[C@H](O)[*:1] Cc1oc(nc1C[NH+]1CCN(CC1)C[*:1])-c1ccco1
Cc1oc(-c2ccco2)nc1C[NH+]1CCN(C[C@H](C)O)CC1 c1coc(c1)[*:1] Cc1oc(nc1C[NH+]1CCN(CC1)C[C@H](C)O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC(=O)OCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC(=O)OC[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC(=O)OCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)NCC(=O)OCc1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC(=O)O[*:1]
CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CSc1nnc(N)s1 Nc1nnc(S[*:1])s1 CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)C[*:1]
CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CSc1nnc(N)s1 Nc1nnc(s1)[*:1] CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CS[*:1]
CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CSc1nnc(N)s1 Nc1nnc(SC[*:1])s1 CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)[*:1]
CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CSc1nnc(N)s1 c1ccc(cc1)[*:1] CC1(C)C[C@](C)(c2ccccc2N1C(=O)CSc1nnc(N)s1)[*:1]
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 O=C([O-])[*:1] O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@@H]1[*:1]
N/C(=N/c1ccccc1)S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O c1ccc(cc1)[*:1] NC(=N[*:1])S[C@@H]1CC(=O)N(C1=O)c1ccc(F)cc1
N/C(=N/c1ccccc1)S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] N/C(=N/c1ccccc1)S[C@@H]1CC(=O)N(C1=O)[*:1]
COc1ccccc1N1CC[NH+](CCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1 Fc1ccc(cc1Cl)[*:1] COc1ccccc1N1CC[NH+](CCNC(=O)C(=O)N[*:1])CC1
COc1ccccc1N1CC[NH+](CCNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1 COc1ccccc1[*:1] O=C(NCC[NH+]1CCN(CC1)[*:1])C(=O)Nc1ccc(F)c(Cl)c1
COc1cccc(CNC(=O)N2CCC(OCc3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)CO[*:1] COc1cccc(CNC(=O)N2CCC(CC2)[*:1])n1
COc1cccc(CNC(=O)N2CCC(OCc3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] COc1cccc(CNC(=O)N2CCC(CC2)OC[*:1])n1
COc1cccc(CNC(=O)N2CCC(OCc3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)C[*:1] COc1cccc(CNC(=O)N2CCC(CC2)O[*:1])n1
COc1cccc(CNC(=O)N2CCC(OCc3ccc(F)cc3)CC2)n1 COc1cccc(n1)[*:1] O=C(NC[*:1])N1CCC(CC1)OCc1ccc(F)cc1
COc1cccc(CNC(=O)N2CCC(OCc3ccc(F)cc3)CC2)n1 COc1cccc(C[*:1])n1 O=C(N[*:1])N1CCC(CC1)OCc1ccc(F)cc1
CCn1nc(C)c(CCN(C)C(=O)Nc2ccc(C)c(F)c2)c1C Cc1ccc(cc1F)[*:1] CCn1nc(C)c(CCN(C)C(=O)N[*:1])c1C
CC/C(N)=N/OCC(=O)N[C@@H](C)c1ccc(CC)cc1 CC/C(N)=N/O[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)C[*:1]
CCCOc1cccc(OCCC)c1 CCCO[*:1] CCCOc1cccc(c1)[*:1]
CCCOc1cccc(OCCC)c1 CCC[*:1] CCCOc1cccc(c1)O[*:1]
C[C@H]([NH3+])[C@@H](n1ccnc1C#N)C(F)(F)F FC(F)(F)[*:1] C[C@H]([NH3+])[C@@H](n1ccnc1C#N)[*:1]
CC(C)[C@H]1NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O CC(C)[*:1] O=C(CN1C(=O)N[C@@H](C1=O)[*:1])Nc1cccc(c1)C(F)(F)F
CC(C)[C@H]1NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O FC(F)(F)[*:1] CC(C)[C@H]1NC(=O)N(CC(=O)Nc2cccc(c2)[*:1])C1=O
C[C@H]1CCC[C@H]([NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C1)[NH+]1CCN(CC1)C(=O)[*:1]
C[C@@](NC(=O)C[C@@H]1CCC[NH2+]C1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@](NC(=O)C[C@@H]1CCC[NH2+]C1)(C(F)(F)F)[*:1]
C[C@@](NC(=O)C[C@@H]1CCC[NH2+]C1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@](NC(=O)C[C@@H]1CCC[NH2+]C1)(C(=O)[O-])[*:1]
Cc1ccc(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1O Fc1ccc(cc1)C[*:1] Cc1ccc(cc1O)CC(=O)Nc1ncc(s1)[*:1]
Cc1ccc(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1O Fc1ccc(cc1)[*:1] Cc1ccc(cc1O)CC(=O)Nc1ncc(C[*:1])s1
Cc1ccc(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1O Cc1ccc(cc1O)[*:1] O=C(C[*:1])Nc1ncc(Cc2ccc(F)cc2)s1
O[C@](CNCc1ccc(Cl)cc1)(c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O[C@](CNCc1ccc(Cl)cc1)(c1ccccc1)[*:1]
O[C@](CNCc1ccc(Cl)cc1)(c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O[C@](CNCc1ccc(Cl)cc1)(c1ccc(F)cc1)[*:1]
O[C@](CNCc1ccc(Cl)cc1)(c1ccccc1)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O[C@](CNC[*:1])(c1ccccc1)c1ccc(F)cc1
O[C@](CNCc1ccc(Cl)cc1)(c1ccccc1)c1ccc(F)cc1 Clc1ccc(cc1)C[*:1] O[C@](CN[*:1])(c1ccccc1)c1ccc(F)cc1
CC(C)CC[NH+]1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 CC(C)C[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CC[NH+](CC1)C[*:1]
CC(C)CC[NH+]1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 CC(C)CC[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CC[NH+](CC1)[*:1]
CC(C)CC[NH+]1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CC(C)CC[NH+]1CCN(CC1)C(=O)Nc1ccnn1C[*:1]
CC(C)CC[NH+]1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 CC(C)[*:1] O=C(Nc1ccnn1Cc1ccccn1)N1CC[NH+](CC1)CC[*:1]
CC(C)CC[NH+]1CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 CC(C)CC[NH+]1CCN(CC1)C(=O)Nc1ccnn1[*:1]
Cc1nn(CC(=O)NCc2ccccn2)c(=O)c2noc(C)c12 c1ccc(nc1)[*:1] Cc1nn(CC(=O)NC[*:1])c(=O)c2noc(C)c12
Cc1nn(CC(=O)NCc2ccccn2)c(=O)c2noc(C)c12 c1ccc(C[*:1])nc1 Cc1nn(CC(=O)N[*:1])c(=O)c2noc(C)c12
Cn1nc(C(=O)NC(C)(C)c2ccc(Br)cc2)ccc1=O Brc1ccc(cc1)[*:1] Cn1nc(ccc1=O)C(=O)NC(C)(C)[*:1]
CCN(CCc1ccccc1)C(=O)c1cc(S(N)(=O)=O)c(C)o1 c1ccc(cc1)C[*:1] CCN(C[*:1])C(=O)c1cc(c(C)o1)S(N)(=O)=O
CCN(CCc1ccccc1)C(=O)c1cc(S(N)(=O)=O)c(C)o1 c1ccc(cc1)[*:1] CCN(CC[*:1])C(=O)c1cc(c(C)o1)S(N)(=O)=O
CCN(CCc1ccccc1)C(=O)c1cc(S(N)(=O)=O)c(C)o1 NS(=O)(=O)[*:1] CCN(CCc1ccccc1)C(=O)c1cc(c(C)o1)[*:1]
CC(C)(O)CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(O)CC[NH2+][C@@H](Cc1ccccc1)[*:1]
CC(C)(O)CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] CC(C)(O)CC[NH2+][C@@H](c1ccccc1)[*:1]
CC(C)(O)CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 CC(C)(O)C[*:1] c1ccc(cc1)C[C@H]([NH2+]C[*:1])c1ccccc1
CC(C)(O)CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 CC(C)(O)[*:1] c1ccc(cc1)C[C@H]([NH2+]CC[*:1])c1ccccc1
CC(C)(O)CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(O)CC[NH2+][C@@H](C[*:1])c1ccccc1
C[NH2+][C@H]1[C@H](CN(C)Cc2cscn2)CCC1(C)C c1nc(cs1)[*:1] C[NH2+][C@H]1[C@@H](CCC1(C)C)CN(C)C[*:1]
C[NH2+][C@H]1[C@H](CN(C)Cc2cscn2)CCC1(C)C c1nc(cs1)C[*:1] C[NH2+][C@H]1[C@@H](CCC1(C)C)CN(C)[*:1]
O=C(N/C=C/c1ccccc1)OCc1ccccc1Cl c1ccc(cc1)[*:1] O=C(NC=C[*:1])OCc1ccccc1Cl
Cc1c(C#N)c2ccccc2n1CC(=O)N1CC[C@H](O)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1c(C#N)c2ccccc2n1CC(=O)N1CC[C@H](O)C[C@H]1[*:1]
CC[C@@H](C)C[C@@]1(C#N)CCC(C)(C)C1=O CC[C@@H](C)[*:1] CC1(C)CC[C@](C#N)(C[*:1])C1=O
CC[C@@H](C)C[C@@]1(C#N)CCC(C)(C)C1=O CC[C@@H](C)C[*:1] CC1(C)CC[C@](C#N)(C1=O)[*:1]
COCCCCS(=O)(=O)c1nnc(N(C)C)s1 COC[*:1] CN(C)c1nnc(s1)S(=O)(=O)CCC[*:1]
COCCCCS(=O)(=O)c1nnc(N(C)C)s1 COCC[*:1] CN(C)c1nnc(s1)S(=O)(=O)CC[*:1]
COCCCCS(=O)(=O)c1nnc(N(C)C)s1 CN(C)[*:1] COCCCCS(=O)(=O)c1nnc(s1)[*:1]
COCCCCS(=O)(=O)c1nnc(N(C)C)s1 COCCC[*:1] CN(C)c1nnc(s1)S(=O)(=O)C[*:1]
CC(C)COC(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 CC(C)[*:1] O=C(OC[*:1])N1CCN(CC1)CCn1cc(ccc1=O)[N+](=O)[O-]
CC(C)COC(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 CC(C)C[*:1] O=C(O[*:1])N1CCN(CC1)CCn1cc(ccc1=O)[N+](=O)[O-]
CC(C)COC(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 O=[N+]([O-])[*:1] CC(C)COC(=O)N1CCN(CC1)CCn1cc(ccc1=O)[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)Nc1c(C)nn(C)c1C O=[N+]([O-])[*:1] Cc1ccc(c(C)c1OCC(=O)Nc1c(C)nn(C)c1C)[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)Nc1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] Cc1ccc(c(C)c1OCC(=O)N[*:1])[N+](=O)[O-]
CC1=C2C(=N)N(c3ccc(C)cc3)[C@H](SCC(=O)Nc3cccc(Cl)c3)N=C2N=N1 O=C(Nc1cccc(Cl)c1)[*:1] CC1N=NC2=N[C@@H](SC[*:1])N(C(=N)C=12)c1ccc(C)cc1
CC1=C2C(=N)N(c3ccc(C)cc3)[C@H](SCC(=O)Nc3cccc(Cl)c3)N=C2N=N1 Clc1cccc(c1)[*:1] CC1N=NC2=N[C@@H](SCC(=O)N[*:1])N(C(=N)C=12)c1ccc(C)cc1
CC1=C2C(=N)N(c3ccc(C)cc3)[C@H](SCC(=O)Nc3cccc(Cl)c3)N=C2N=N1 Cc1ccc(cc1)[*:1] CC1N=NC2=N[C@@H](SCC(=O)Nc3cccc(Cl)c3)N(C(=N)C=12)[*:1]
COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 COc1ccc(cc1)C[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)N[*:1])[C@H]1c1cccs1
COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1[*:1]
COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 COc1ccc(cc1)[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)NC[*:1])[C@H]1c1cccs1
O=C(CCN1CCCC1=O)O[C@@H](C1CCCCC1)C(F)(F)F FC(F)(F)[*:1] O=C(CCN1CCCC1=O)O[C@@H](C1CCCCC1)[*:1]
O=C(CCN1CCCC1=O)O[C@@H](C1CCCCC1)C(F)(F)F O=C1CCCN1[*:1] O=C(CC[*:1])O[C@@H](C1CCCCC1)C(F)(F)F
O=C(CCN1CCCC1=O)O[C@@H](C1CCCCC1)C(F)(F)F C1CCC(CC1)[*:1] O=C(CCN1CCCC1=O)O[C@@H](C(F)(F)F)[*:1]
O=C(CCN1CCCC1=O)O[C@@H](C1CCCCC1)C(F)(F)F O=C1CCCN1C[*:1] O=C(C[*:1])O[C@@H](C1CCCCC1)C(F)(F)F
O=S(=O)(c1ccc(F)cc1F)N1CCN(c2ccc3nncn3n2)CC1 Fc1ccc(c(F)c1)[*:1] O=S(=O)(N1CCN(CC1)c1ccc2nncn2n1)[*:1]
COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)nc3)s2)cc1OC C1CN(CCO1)[*:1] COc1ccc(cc1OC)-c1nc(C)c(s1)C(=O)Nc1ccc(nc1)[*:1]
COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)nc3)s2)cc1OC COc1ccc(cc1OC)[*:1] Cc1nc(sc1C(=O)Nc1ccc(nc1)N1CCOCC1)[*:1]
O=C1CCSc2ccc(Cl)cc2N1Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1CCSc2ccc(Cl)cc2N1C[*:1]
N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1[*:1]
NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 NC(=O)[*:1] c1ccc(cc1)[C@H]1Nc2ccc(cc2[C@H]2[C@H]3CC[C@H](C3)[C@H]12)[*:1]
NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 c1ccc(cc1)[*:1] NC(=O)c1ccc2N[C@H]([C@@H]3[C@@H](c2c1)[C@H]1CC[C@@H]3C1)[*:1]
CCCc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2cccnc2)n1 CCC[*:1] c1cncc(c1)-c1nc(cc(n1)[*:1])N[C@@H]1CCC[NH2+]C1
CCCc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] CCCc1cc(nc(n1)[*:1])N[C@@H]1CCC[NH2+]C1
CSc1cccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 CSc1cccc(c1)[*:1] O=C(CN1C(=O)c2cccc3cccc1c23)N[*:1]
C/C=C(/C)C(=O)NCC[C@@H]1CCC[C@@H](C)C1 CC=C(C)[*:1] C[C@@H]1CCC[C@@H](CCNC(=O)[*:1])C1
Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 Fc1ccc(cc1Cl)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(cs1)[*:1]
CCOc1ccc(N)c2ccccc12 CCO[*:1] Nc1ccc(c2ccccc12)[*:1]
O=C(NCCN1C(=O)CNC1=O)c1cc2cccc(Cl)c2o1 O=C1CNC(=O)N1[*:1] O=C(NCC[*:1])c1cc2cccc(Cl)c2o1
CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C(=O)NC)cc1 CCO[*:1] CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C(=O)NC)cc1 CNC(=O)[*:1] CCOc1ccc(cc1)C(=O)N1c2ccccc2C[C@@H]1[*:1]
C[C@@](NC(=O)COc1ccccc1C#N)(C(=O)[O-])C1CC1 O=C([O-])[*:1] C[C@@](NC(=O)COc1ccccc1C#N)(C1CC1)[*:1]
C[C@@](NC(=O)COc1ccccc1C#N)(C(=O)[O-])C1CC1 C1CC1[*:1] C[C@@](NC(=O)COc1ccccc1C#N)(C(=O)[O-])[*:1]
Cc1ccccc1CCCNc1ccccc1C(=O)N1CCC[C@H]1CO Cc1ccccc1C[*:1] O=C(c1ccccc1NCC[*:1])N1CCC[C@H]1CO
Cc1ccccc1CCCNc1ccccc1C(=O)N1CCC[C@H]1CO Cc1ccccc1[*:1] O=C(c1ccccc1NCCC[*:1])N1CCC[C@H]1CO
CS(=O)(=O)CCO[C@H]1CCC[C@@H]([NH3+])C1 CS(=O)(=O)[*:1] [NH3+][C@@H]1CCC[C@@H](C1)OCC[*:1]
Nc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 Nc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)[*:1]
CC[C@H]1CC[C@](Cc2cccnc2)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@H]1CC[C@](Cc2cccnc2)(C1)[*:1]
COc1ccccc1-n1c2c(cc(C(=O)Nc3ccccc3F)c1=O)C(=O)CC(C)(C)C2 COc1ccccc1[*:1] CC1(C)CC(=O)c2cc(C(=O)Nc3ccccc3F)c(=O)n(c2C1)[*:1]
COc1ccccc1-n1c2c(cc(C(=O)Nc3ccccc3F)c1=O)C(=O)CC(C)(C)C2 Fc1ccccc1[*:1] COc1ccccc1-n1c2CC(C)(C)CC(=O)c2cc(C(=O)N[*:1])c1=O
COc1ccccc1-n1c2c(cc(C(=O)Nc3ccccc3F)c1=O)C(=O)CC(C)(C)C2 O=C(Nc1ccccc1F)[*:1] COc1ccccc1-n1c2CC(C)(C)CC(=O)c2cc(c1=O)[*:1]
O=C(Cn1c2c(c(=O)n1-c1ccccc1)Cc1cc(Cl)ccc1O2)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(Cn1c2Oc3ccc(Cl)cc3Cc2c(=O)n1-c1ccccc1)N[*:1]
O=C(Cn1c2c(c(=O)n1-c1ccccc1)Cc1cc(Cl)ccc1O2)Nc1cc(F)ccc1F c1ccc(cc1)[*:1] O=C(Cn1c2Oc3ccc(Cl)cc3Cc2c(=O)n1[*:1])Nc1cc(F)ccc1F
O=C(Cn1c2c(c(=O)n1-c1ccccc1)Cc1cc(Cl)ccc1O2)Nc1cc(F)ccc1F O=C(Nc1cc(F)ccc1F)[*:1] O=c1c2Cc3cc(Cl)ccc3Oc2n(C[*:1])n1-c1ccccc1
CCC[C@H]1C[C@H]1NC(=O)c1cccnc1SCc1c(C)noc1C Cc1noc(C)c1C[*:1] CCC[C@H]1C[C@H]1NC(=O)c1cccnc1S[*:1]
CCC[C@H]1C[C@H]1NC(=O)c1cccnc1SCc1c(C)noc1C CCC[*:1] Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@H]1NC(=O)c1cccnc1SCc1c(C)noc1C Cc1noc(C)c1[*:1] CCC[C@H]1C[C@H]1NC(=O)c1cccnc1SC[*:1]
Cc1cc(C)cc(NC(=O)C[C@H]2SC(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)=NC2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(C[C@H]1SC(=NC1=O)N1N=C(C[C@@H]1c1ccccc1)c1cccs1)N[*:1]
Cc1cc(C)cc(NC(=O)C[C@H]2SC(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)=NC2=O)c1 Cc1cc(C)cc(c1)NC(=O)[*:1] O=C1N=C(S[C@@H]1C[*:1])N1N=C(C[C@@H]1c1ccccc1)c1cccs1
Cc1cc(C)cc(NC(=O)C[C@H]2SC(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)=NC2=O)c1 c1csc(c1)[*:1] Cc1cc(C)cc(c1)NC(=O)C[C@H]1SC(=NC1=O)N1N=C(C[C@@H]1c1ccccc1)[*:1]
Cc1cc(C)cc(NC(=O)C[C@H]2SC(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)=NC2=O)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)C[C@H]1SC(=NC1=O)N1N=C(C[C@H]1[*:1])c1cccs1
CC(C)c1ccn(-c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)n1 CC(C)[*:1] N[C@H]1C(=O)Nc2cc(c(Cl)cc21)-n1ccc(n1)[*:1]
O=Cc1ccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)[nH]1 O=Cc1ccc([nH]1)[*:1] O=C1CCCN1CC[C@H]1CN(C(=O)[*:1])c2ccccc21
O=Cc1ccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)[nH]1 O=C1CCCN1[*:1] O=Cc1ccc([nH]1)C(=O)N1C[C@H](CC[*:1])c2ccccc21
O=Cc1ccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)[nH]1 O=C1CCCN1C[*:1] O=Cc1ccc([nH]1)C(=O)N1C[C@H](C[*:1])c2ccccc21
O=Cc1ccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)[nH]1 O=C1CCCN1CC[*:1] O=Cc1ccc([nH]1)C(=O)N1C[C@H](c2ccccc21)[*:1]
CCOC(=O)c1ccc(COc2ccc3c(c2)CCCC3=O)o1 CCOC(=O)[*:1] O=C1CCCc2cc(ccc21)OCc1ccc(o1)[*:1]
C[NH2+][C@H](c1cc(Br)ccc1F)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] C[NH2+][C@H](c1cc(Br)ccc1F)[C@H](C)[*:1]
CO[C@@H](C(=O)N1CCO[C@@H](C(N)=O)C1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)N1CCO[C@H](C1)C(N)=O)[*:1]
CO[C@@H](C(=O)N1CCO[C@@H](C(N)=O)C1)c1ccccc1 NC(=O)[*:1] CO[C@@H](C(=O)N1CCO[C@@H](C1)[*:1])c1ccccc1
Cc1ccc(-c2nnc(SCc3ccon3)n2N)cc1 c1cc(no1)[*:1] Cc1ccc(cc1)-c1nnc(SC[*:1])n1N
Cc1ccc(-c2nnc(SCc3ccon3)n2N)cc1 c1cc(C[*:1])no1 Cc1ccc(cc1)-c1nnc(S[*:1])n1N
COC[C@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)C1 FC(F)(F)[*:1] COC[C@H]1CCCN(C1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1[*:1]
COC[C@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)C1 COC[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)N1CCC[C@@H](C1)[*:1]
Cc1cc(C)cc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 C1CCC(C1)[*:1] Cc1cc(C)cc(c1)N(C(=O)c1csnn1)[C@@H](C(=O)N[*:1])c1cccs1
Cc1cc(C)cc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 O=C(NC1CCCC1)[*:1] Cc1cc(C)cc(c1)N(C(=O)c1csnn1)[C@@H](c1cccs1)[*:1]
Cc1cc(C)cc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1csnn1)[*:1]
Cc1cc(C)cc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 c1csc(c1)[*:1] Cc1cc(C)cc(c1)N(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)[*:1]
Cc1cc(C)cc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 c1snnc1[*:1] Cc1cc(C)cc(c1)N(C(=O)[*:1])[C@@H](C(=O)NC1CCCC1)c1cccs1
Cc1cncc(NC(=O)CNC(=O)c2cc(F)cc(F)c2)c1 Cc1cncc(c1)[*:1] O=C(CNC(=O)c1cc(F)cc(F)c1)N[*:1]
Cl/C=C(/Cl)COC[C@H]1CCC[NH2+]1 Cl/C=C(/Cl)[*:1] C1C[NH2+][C@H](C1)COC[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1ccc(cc1)NC(=O)O[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)C1 CC(C)(C)OC(=O)N[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1ccc(cc1)[*:1]
O[C@@H](c1ccccc1)c1cn(CC2CCN(c3ncccn3)CC2)nn1 O[C@@H](c1ccccc1)[*:1] c1cnc(nc1)N1CCC(CC1)Cn1cc(nn1)[*:1]
O[C@@H](c1ccccc1)c1cn(CC2CCN(c3ncccn3)CC2)nn1 c1cnc(nc1)[*:1] O[C@@H](c1ccccc1)c1cn(CC2CCN(CC2)[*:1])nn1
O[C@@H](c1ccccc1)c1cn(CC2CCN(c3ncccn3)CC2)nn1 c1ccc(cc1)[*:1] O[C@@H](c1cn(CC2CCN(CC2)c2ncccn2)nn1)[*:1]
CC1(C)CN(C(=O)C(=O)Nc2ccccc2CC(F)(F)F)CCO1 FC(F)(F)[*:1] CC1(C)CN(CCO1)C(=O)C(=O)Nc1ccccc1C[*:1]
CC1(C)CN(C(=O)C(=O)Nc2ccccc2CC(F)(F)F)CCO1 FC(F)(F)C[*:1] CC1(C)CN(CCO1)C(=O)C(=O)Nc1ccccc1[*:1]
COC(=O)c1c(C)nsc1NC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 COC(=O)[*:1] Cc1nsc(NC(=O)N2C[C@H](C)O[C@@H](C2)c2ccccc2)c1[*:1]
COC(=O)c1c(C)nsc1NC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)c1c(C)nsc1NC(=O)N1C[C@H](C)O[C@H](C1)[*:1]
Cc1oc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N[C@@H](C)c1cccc(c1)OC(C)C
Cc1oc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cc1S(N)(=O)=O CC(C)[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)N[C@@H](C)c1cccc(c1)O[*:1]
Cc1oc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cc1S(N)(=O)=O CC(C)O[*:1] Cc1oc(cc1S(N)(=O)=O)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C1 CC(C)C[*:1] O=C(/C=C/c1ccnc2ccccc12)N1CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C1 CC(C)CCO[*:1] O=C(/C=C/c1ccnc2ccccc12)N1CC[C@H](C1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C1 CC(C)CC[*:1] O=C(/C=C/c1ccnc2ccccc12)N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C1 CC(C)[*:1] O=C(/C=C/c1ccnc2ccccc12)N1CC[C@H](C1)OCC[*:1]
Cc1ccc(S(=O)(=O)CCCN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1[C@H](C)S(=O)(=O)CCN1CCCS(=O)(=O)[*:1]
COc1ccc(C[NH2+][C@H](C(=O)N2CCCC2)c2ccccc2)cn1 COc1ccc(cn1)[*:1] O=C([C@@H]([NH2+]C[*:1])c1ccccc1)N1CCCC1
COc1ccc(C[NH2+][C@H](C(=O)N2CCCC2)c2ccccc2)cn1 O=C(N1CCCC1)[*:1] COc1ccc(cn1)C[NH2+][C@H](c1ccccc1)[*:1]
COc1ccc(C[NH2+][C@H](C(=O)N2CCCC2)c2ccccc2)cn1 c1ccc(cc1)[*:1] COc1ccc(cn1)C[NH2+][C@H](C(=O)N1CCCC1)[*:1]
O=C(NNC(=S)NC[C@@H]1CCCO1)[C@@H]1C[C@@H]1c1ccco1 C1CO[C@@H](C1)C[*:1] O=C(NNC(=S)N[*:1])[C@@H]1C[C@@H]1c1ccco1
O=C(NNC(=S)NC[C@@H]1CCCO1)[C@@H]1C[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(NNC(=S)NC[C@@H]1CCCO1)[C@@H]1C[C@H]1[*:1]
O=C(NNC(=S)NC[C@@H]1CCCO1)[C@@H]1C[C@@H]1c1ccco1 C1CO[C@@H](C1)[*:1] O=C(NNC(=S)NC[*:1])[C@@H]1C[C@@H]1c1ccco1
COC(=O)[C@]1(C(C)C)O[C@@]12CCCc1ccc(OC)cc12 COC(=O)[*:1] COc1ccc2CCC[C@@]3(O[C@]3(C(C)C)[*:1])c2c1
COC(=O)[C@]1(C(C)C)O[C@@]12CCCc1ccc(OC)cc12 CC(C)[*:1] COC(=O)[C@@]1(O[C@@]12CCCc1ccc(cc12)OC)[*:1]
CCC[NH2+]C/C(=C\c1cc(Br)c(Br)o1)C(C)C CC(C)[*:1] CCC[NH2+]C/C(=C\c1cc(Br)c(Br)o1)[*:1]
CCC[NH2+]C/C(=C\c1cc(Br)c(Br)o1)C(C)C CCC[*:1] CC(C)/C(=C/c1cc(Br)c(Br)o1)C[NH2+][*:1]
O=C(Oc1ccc(N2CCOC2=O)cc1)c1cnn(-c2ccccc2)c1 O=C1OCCN1[*:1] O=C(Oc1ccc(cc1)[*:1])c1cnn(c1)-c1ccccc1
O=C(Oc1ccc(N2CCOC2=O)cc1)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Oc1ccc(cc1)N1CCOC1=O)c1cnn(c1)[*:1]
Cc1cc(C[NH2+]CCCc2cnn(C)c2)ccc1Br Cn1cc(cn1)[*:1] Cc1cc(ccc1Br)C[NH2+]CCC[*:1]
CCOc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1O CCOc1cc(ccc1O)[*:1] Cc1cc2NC3CC(C)(C)CC(=O)C=3[C@H](Nc2cc1C)[*:1]
CCOc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1O CCO[*:1] Cc1cc2NC3CC(C)(C)CC(=O)C=3[C@H](Nc2cc1C)c1ccc(O)c(c1)[*:1]
CC(=O)N1CC[C@H](Cc2cccc(NC3CCCCC3)[nH+]2)C1 C1CCC(CC1)N[*:1] CC(=O)N1CC[C@H](Cc2cccc([nH+]2)[*:1])C1
CC(=O)N1CC[C@H](Cc2cccc(NC3CCCCC3)[nH+]2)C1 C1CCC(CC1)[*:1] CC(=O)N1CC[C@H](Cc2cccc(N[*:1])[nH+]2)C1
CC[C@H]1CCC(=O)[C@H](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CC[C@H]1CCC(=O)[C@H](Cc2cc(Cl)ccc2[*:1])C1
O=C(Cn1c(=O)oc2ccccc21)N1CCOc2ccc([C@@H](O)CCc3ccccc3)cc2C1 O[C@@H](CCc1ccccc1)[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCOc2ccc(cc2C1)[*:1]
O=C(Cn1c(=O)oc2ccccc21)N1CCOc2ccc([C@@H](O)CCc3ccccc3)cc2C1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCOc2ccc(cc2C1)[C@@H](O)CC[*:1]
O=C(Cn1c(=O)oc2ccccc21)N1CCOc2ccc([C@@H](O)CCc3ccccc3)cc2C1 c1ccc(cc1)CC[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCOc2ccc(cc2C1)[C@@H](O)[*:1]
O=C(Cn1c(=O)oc2ccccc21)N1CCOc2ccc([C@@H](O)CCc3ccccc3)cc2C1 O=c1oc2ccccc2n1C[*:1] O=C(N1CCOc2ccc(cc2C1)[C@@H](O)CCc1ccccc1)[*:1]
O=C(Cn1c(=O)oc2ccccc21)N1CCOc2ccc([C@@H](O)CCc3ccccc3)cc2C1 c1ccc(cc1)C[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCOc2ccc(cc2C1)[C@@H](O)C[*:1]
O=C(Cn1c(=O)oc2ccccc21)N1CCOc2ccc([C@@H](O)CCc3ccccc3)cc2C1 O=c1oc2ccccc2n1[*:1] O=C(C[*:1])N1CCOc2ccc(cc2C1)[C@@H](O)CCc1ccccc1
Cc1ccc([C@@H](NCc2ccc(S(C)(=O)=O)c(C)c2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H](NCc1ccc(c(C)c1)S(C)(=O)=O)[*:1]
Cc1ccc([C@@H](NCc2ccc(S(C)(=O)=O)c(C)c2)C2CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ccc1S(C)(=O)=O)CN[C@@H](C1CC1)[*:1]
Cc1ccc([C@@H](NCc2ccc(S(C)(=O)=O)c(C)c2)C2CC2)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)[C@@H](NCc1ccc(c(C)c1)[*:1])C1CC1
C[C@H](CO)NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1 Fc1ccc(cc1)S[*:1] C[C@H](CO)NC(=O)C(=O)Nc1cc(Cl)ccc1[*:1]
C[C@H](CO)NC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CO)NC(=O)C(=O)Nc1cc(Cl)ccc1S[*:1]
CN(CC(=O)N1CCCC1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 O=C(C[*:1])N1CCCC1 CN(C(=O)c1ccc(cc1)OCc1cn2ccccc2n1)[*:1]
CN(CC(=O)N1CCCC1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 c1ccn2cc(nc2c1)[*:1] CN(CC(=O)N1CCCC1)C(=O)c1ccc(cc1)OC[*:1]
CN(CC(=O)N1CCCC1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 O=C(N1CCCC1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)OCc1cn2ccccc2n1
CCOC(=O)c1sc2ncnc(N(C)OCc3ccccc3)c2c1C c1ccc(cc1)[*:1] CCOC(=O)c1sc2ncnc(c2c1C)N(C)OC[*:1]
CCOC(=O)c1sc2ncnc(N(C)OCc3ccccc3)c2c1C CCOC(=O)[*:1] Cc1c(sc2ncnc(c12)N(C)OCc1ccccc1)[*:1]
CCOC(=O)c1sc2ncnc(N(C)OCc3ccccc3)c2c1C c1ccc(cc1)C[*:1] CCOC(=O)c1sc2ncnc(c2c1C)N(C)O[*:1]
Cc1cc(N2CCC[C@@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 C[C@@H]1CCCN(C1)[*:1] Cc1cc(nc(n1)-c1cccc(c1)[N+](=O)[O-])[*:1]
Cc1cc(N2CCC[C@@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] Cc1cc(nc(n1)-c1cccc(c1)[*:1])N1CCC[C@@H](C)C1
CC(C)N(C[C@H](C)O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F FC(F)(F)[*:1] CC(C)N(C[C@H](C)O)C(=O)Nc1cc(Cl)ccc1OC[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] CC(C)N(C[C@H](C)O)C(=O)Nc1cc(Cl)ccc1[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F CC(C)[*:1] C[C@H](O)CN(C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)[*:1]
CC(C)N(C[C@H](C)O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F FC(F)(F)C[*:1] CC(C)N(C[C@H](C)O)C(=O)Nc1cc(Cl)ccc1O[*:1]
CC[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C)[NH+]1CCCC1 O=[N+]([O-])[*:1] CC[C@@H](CNS(=O)(=O)c1cccc(c1C)[*:1])[NH+]1CCCC1
O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](O)C1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1Br)[*:1])N1CCC[C@@H](O)C1
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCc1nnc(-c2ccccc2)o1 CC(C)(C)C(=O)N[*:1] C[C@@H](C(=O)NCCc1nnc(o1)-c1ccccc1)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCc1nnc(-c2ccccc2)o1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NCCc1nnc(o1)-c1ccccc1
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCc1nnc(o1)[*:1]
CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)c2cscn2)CC1=O c1nc(cs1)[*:1] CC(C)CN1C[C@H](CN(CC1=O)C(=O)[*:1])OCc1cccc(F)c1
CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)c2cscn2)CC1=O Fc1cccc(c1)C[*:1] CC(C)CN1C[C@H](CN(CC1=O)C(=O)c1cscn1)O[*:1]
CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)c2cscn2)CC1=O CC(C)C[*:1] O=C(c1cscn1)N1CC(=O)N(C[C@H](C1)OCc1cccc(F)c1)[*:1]
CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)c2cscn2)CC1=O CC(C)[*:1] O=C1CN(C[C@@H](CN1C[*:1])OCc1cccc(F)c1)C(=O)c1cscn1
CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)c2cscn2)CC1=O Fc1cccc(c1)CO[*:1] CC(C)CN1C[C@@H](CN(CC1=O)C(=O)c1cscn1)[*:1]
CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)c2cscn2)CC1=O Fc1cccc(c1)[*:1] CC(C)CN1C[C@H](CN(CC1=O)C(=O)c1cscn1)OC[*:1]
COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N/N=C/c1ccccc1Cl)[*:1]
COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)[C@H]1NC(=S)NC(C)=C1C(=O)NN=C[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1F c1cnn(c1)[*:1] Cc1ccc(cc1F)NC(=O)[C@H]1CCCN(C1)c1cc(ncn1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1F Cc1ccc(cc1F)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1cc(ncn1)-n1cccn1
CC(C)N1C(=O)c2ccccc2Oc2ccc(NC(=O)c3ccc(C#N)cc3)cc21 CC(C)[*:1] N#Cc1ccc(cc1)C(=O)Nc1ccc2Oc3ccccc3C(=O)N(c2c1)[*:1]
CC(C)N1C(=O)c2ccccc2Oc2ccc(NC(=O)c3ccc(C#N)cc3)cc21 N#Cc1ccc(cc1)[*:1] CC(C)N1C(=O)c2ccccc2Oc2ccc(cc21)NC(=O)[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@](C)(O)c2ccco2)n1 Cc1cc(F)ccc1[*:1] C[C@](O)(CNC(=O)c1nn(cc1[O-])[*:1])c1ccco1
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@](C)(O)c2ccco2)n1 c1coc(c1)[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)NC[C@](C)(O)[*:1]
Cc1ccc(NC(=S)Nc2cc(C)n[nH]2)c(C)c1 Cc1cc([nH]n1)[*:1] Cc1ccc(NC(=S)N[*:1])c(C)c1
c1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc(Cn2cccn2)c1 c1cnn(c1)C[*:1] c1cc(cc(c1)[*:1])CN1CCC[C@]2(CC[NH2+]C2)C1
c1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc(Cn2cccn2)c1 c1cnn(c1)[*:1] c1cc(cc(c1)C[*:1])CN1CCC[C@]2(CC[NH2+]C2)C1
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)C1 c1cnc(nc1)[*:1] C[C@H]1C[C@H](c2cccc(F)c2)N(C1)C(=O)NC[C@@H]1CCCN(C1)[*:1]
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)C1 Fc1cccc(c1)[*:1] C[C@H]1C[C@H](N(C1)C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
COc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)NC(=O)c1ccc(cc1)[C@@H]1SCC(=O)N1[*:1]
COc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N[*:1])c1ccc(cc1)[C@@H]1SCC(=O)N1Cc1ccccc1
COc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)c1ccc(cc1)[C@@H]1SCC(=O)N1C[*:1]
O=C(CSc1nc(-c2ccncc2)n[nH]1)N[C@H]1C[C@H]2CC[C@@H]1C2 c1cc(ccn1)[*:1] O=C(CSc1nc(n[nH]1)[*:1])N[C@H]1C[C@H]2CC[C@@H]1C2
C[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)CC(C)C CC(C)[*:1] C[NH2+][C@@H]1c2cc(ccc2C[C@H]1S(=O)(=O)C[*:1])OC
C[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1S(=O)(=O)CC(C)C CC(C)C[*:1] C[NH2+][C@@H]1c2cc(ccc2C[C@H]1S(=O)(=O)[*:1])OC
CCCCC(=O)NCC1CCN(c2ccc(C)nn2)CC1 CCCCC(=O)N[*:1] Cc1ccc(nn1)N1CCC(CC1)C[*:1]
CCCCC(=O)NCC1CCN(c2ccc(C)nn2)CC1 Cc1ccc(nn1)[*:1] CCCCC(=O)NCC1CCN(CC1)[*:1]
CCCCC(=O)NCC1CCN(c2ccc(C)nn2)CC1 CCC[*:1] Cc1ccc(nn1)N1CCC(CC1)CNC(=O)C[*:1]
CCCCC(=O)NCC1CCN(c2ccc(C)nn2)CC1 CCCC[*:1] Cc1ccc(nn1)N1CCC(CC1)CNC(=O)[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 Cc1noc(C)c1[*:1] C[C@H](C[*:1])NC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1
Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 Cc1noc(C)c1C[*:1] C[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
CCOC(=O)C(C)(C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 c1cc(ccn1)[*:1] CCOC(=O)C(C)(C)NC(=O)c1cc(nc2ccccc12)[*:1]
CCOC(=O)C(C)(C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 CCOC(=O)C(C)(C)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccncc1
CCOC(=O)C(C)(C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 CCOC(=O)[*:1] CC(C)(NC(=O)c1cc(nc2ccccc12)-c1ccncc1)[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)NNC(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1ccc(c(c1)C(=O)NNC(=O)NC[*:1])-n1ccnc1
Cc1ccc(-n2ccnc2)c(C(=O)NNC(=O)NC[C@H]2CCCO2)c1 c1cn(cn1)[*:1] Cc1ccc(c(c1)C(=O)NNC(=O)NC[C@H]1CCCO1)[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)NNC(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1ccc(c(c1)C(=O)NNC(=O)N[*:1])-n1ccnc1
C[C@H](Nc1ccc(C#N)cn1)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H](Nc1ccc(C#N)cn1)c1ccc(cc1)[*:1]
COCc1ccc(CNc2cnn(-c3ncc(Cl)cc3Cl)c2)cc1 Clc1cnc(c(Cl)c1)[*:1] COCc1ccc(cc1)CNc1cnn(c1)[*:1]
COCc1ccc(CNc2cnn(-c3ncc(Cl)cc3Cl)c2)cc1 COC[*:1] Clc1cnc(c(Cl)c1)-n1cc(cn1)NCc1ccc(cc1)[*:1]
O=C(Cc1coc(-c2ccccc2)n1)NCC1CC1 C1CC1[*:1] O=C(Cc1coc(n1)-c1ccccc1)NC[*:1]
O=C(Cc1coc(-c2ccccc2)n1)NCC1CC1 c1ccc(cc1)[*:1] O=C(Cc1coc(n1)[*:1])NCC1CC1
O=C(Cc1coc(-c2ccccc2)n1)NCC1CC1 C1CC1C[*:1] O=C(Cc1coc(n1)-c1ccccc1)N[*:1]
CCNC(=O)C1CN(C(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)C1 CCNC(=O)[*:1] C[C@H](c1ccccc1)n1ccc(n1)NC(=O)C(=O)N1CC(C1)[*:1]
CCNC(=O)C1CN(C(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)C1 C[C@H](c1ccccc1)[*:1] CCNC(=O)C1CN(C1)C(=O)C(=O)Nc1ccn(n1)[*:1]
CCNC(=O)C1CN(C(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)C1 c1ccc(cc1)[*:1] CCNC(=O)C1CN(C1)C(=O)C(=O)Nc1ccn(n1)[C@H](C)[*:1]
C[S@@](=O)C[C@@H](NC(=O)CN1CCCCCCC1=O)c1ccccc1 c1ccc(cc1)[*:1] C[S@@](=O)C[C@@H](NC(=O)CN1CCCCCCC1=O)[*:1]
C/[NH+]=C(/NCc1cn2ccsc2n1)NCC(C)(C)c1ccccc1 c1cn2cc(nc2s1)[*:1] C/[NH+]=C(\NCC(C)(C)c1ccccc1)NC[*:1]
C/[NH+]=C(/NCc1cn2ccsc2n1)NCC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCc1cn2ccsc2n1)NCC(C)(C)[*:1]
CCN(CC)c1nc2nc(C)[n-]c3nc4c(c(c1C#N)c23)C[C@@H](c1ccccc1)O4 c1ccc(cc1)[*:1] CCN(CC)c1nc2nc(C)[n-]c3nc4O[C@H](Cc4c(c1C#N)c23)[*:1]
CCN(CC)c1nc2nc(C)[n-]c3nc4c(c(c1C#N)c23)C[C@@H](c1ccccc1)O4 CCN(CC)[*:1] Cc1nc2nc(c(C#N)c3c4C[C@H](Oc4nc([n-]1)c23)c1ccccc1)[*:1]
Cc1cc(F)ccc1NC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C Cc1cc(F)ccc1[*:1] CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[*:1]
Cc1cc(F)ccc1NC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C CC(C)[*:1] Cc1cc(F)ccc1NC(=O)[C@@H](NC(=O)c1c(F)cccc1F)[*:1]
Cc1cc(F)ccc1NC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C Fc1cccc(F)c1[*:1] Cc1cc(F)ccc1NC(=O)[C@@H](NC(=O)[*:1])C(C)C
C[C@@H](Oc1ccccc1C[NH2+]C1CC1)C(=O)N(C)C C1CC1[*:1] C[C@@H](Oc1ccccc1C[NH2+][*:1])C(=O)N(C)C
C[C@@H](Oc1ccccc1C[NH2+]C1CC1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](Oc1ccccc1C[NH2+]C1CC1)[*:1]
C[C@H]1CCCCN1c1ccc(N)c(OCC2CC2)n1 C1CC1CO[*:1] C[C@H]1CCCCN1c1ccc(N)c(n1)[*:1]
C[C@H]1CCCCN1c1ccc(N)c(OCC2CC2)n1 C1CC1[*:1] C[C@H]1CCCCN1c1ccc(N)c(n1)OC[*:1]
C[C@H]1CCCCN1c1ccc(N)c(OCC2CC2)n1 C1CC1C[*:1] C[C@H]1CCCCN1c1ccc(N)c(n1)O[*:1]
CC(=O)c1cccc(OCc2cc(C(=O)N(C)C[C@H]3CCC[C@@H]3O)no2)c1 CC(=O)c1cccc(c1)[*:1] CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cc(CO[*:1])on1
CC(=O)c1cccc(OCc2cc(C(=O)N(C)C[C@H]3CCC[C@@H]3O)no2)c1 CC(=O)[*:1] CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cc(COc2cccc(c2)[*:1])on1
C[C@@H]([C@@H](C)O)N1CCO[C@H](C#N)C1 C[C@@H](O)[*:1] C[C@@H](N1CCO[C@H](C#N)C1)[*:1]
O=C(CCC(F)(F)F)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 FC(F)(F)C[*:1] O=C(C[*:1])NC1CC[NH+](CC1)Cc1ccc(F)c(F)c1
O=C(CCC(F)(F)F)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 FC(F)(F)[*:1] O=C(CC[*:1])NC1CC[NH+](CC1)Cc1ccc(F)c(F)c1
O=C(CCC(F)(F)F)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 FC(F)(F)CC[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(F)c(F)c1)[*:1]
O=C(CCC(F)(F)F)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] O=C(CCC(F)(F)F)NC1CC[NH+](CC1)C[*:1]
CN(C)c1cccc(C(=O)Nn2cnc3ccccc3c2=O)c1 CN(C)[*:1] O=C(Nn1cnc2ccccc2c1=O)c1cccc(c1)[*:1]
O=C(NCC[C@H](O)C1CC1)C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(NCC[C@H](O)C1CC1)C(=O)NC[*:1]
O=C(NCC[C@H](O)C1CC1)C(=O)NCc1ccccc1Cl C1CC1[*:1] O=C(NCC[C@H](O)[*:1])C(=O)NCc1ccccc1Cl
COc1cc(C(=O)NC(=S)N2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1OC Clc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)NC(=S)N1CCN(CC1)[*:1]
O=C(Nc1cccnc1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 c1cncc(c1)[*:1] O=C(N[*:1])c1cc(-c2cccs2)n(n1)[C@@H]1CCS(=O)(=O)C1
O=C(Nc1cccnc1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 c1csc(c1)[*:1] O=C(Nc1cccnc1)c1cc(n(n1)[C@@H]1CCS(=O)(=O)C1)[*:1]
CCc1cc(NC(=O)C(=O)NCc2nccn2Cc2ccccc2)n(C)n1 c1ccc(cc1)C[*:1] CCc1cc(NC(=O)C(=O)NCc2nccn2[*:1])n(C)n1
CCc1cc(NC(=O)C(=O)NCc2nccn2Cc2ccccc2)n(C)n1 c1ccc(cc1)[*:1] CCc1cc(NC(=O)C(=O)NCc2nccn2C[*:1])n(C)n1
CCc1cc(NC(=O)C(=O)NCc2nccn2Cc2ccccc2)n(C)n1 CCc1cc(n(C)n1)[*:1] O=C(NCc1nccn1Cc1ccccc1)C(=O)N[*:1]
CCOc1ccc(-c2nc(C(=O)[O-])cc(=O)[nH]2)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)-c1nc(cc(=O)[nH]1)[*:1]
CCOc1ccc(-c2nc(C(=O)[O-])cc(=O)[nH]2)cc1 CCO[*:1] O=C([O-])c1cc(=O)[nH]c(n1)-c1ccc(cc1)[*:1]
O=C(NCc1ccccc1F)c1ccccc1SCc1cscn1 Fc1ccccc1[*:1] O=C(NC[*:1])c1ccccc1SCc1cscn1
O=C(NCc1ccccc1F)c1ccccc1SCc1cscn1 c1nc(cs1)C[*:1] O=C(NCc1ccccc1F)c1ccccc1S[*:1]
O=C(NCc1ccccc1F)c1ccccc1SCc1cscn1 Fc1ccccc1C[*:1] O=C(N[*:1])c1ccccc1SCc1cscn1
O=C(NCc1ccccc1F)c1ccccc1SCc1cscn1 c1nc(cs1)[*:1] O=C(NCc1ccccc1F)c1ccccc1SC[*:1]
O=C(NCc1ccccc1F)c1ccccc1SCc1cscn1 c1nc(cs1)CS[*:1] O=C(NCc1ccccc1F)c1ccccc1[*:1]
COCCCc1nnc2n1CCN[C@@H]2c1ccccc1 COCCC[*:1] c1ccc(cc1)[C@H]1NCCn2c1nnc2[*:1]
COCCCc1nnc2n1CCN[C@@H]2c1ccccc1 COC[*:1] c1ccc(cc1)[C@H]1NCCn2c(CC[*:1])nnc21
COCCCc1nnc2n1CCN[C@@H]2c1ccccc1 c1ccc(cc1)[*:1] COCCCc1nnc2[C@@H](NCCn12)[*:1]
COCCCc1nnc2n1CCN[C@@H]2c1ccccc1 COCC[*:1] c1ccc(cc1)[C@H]1NCCn2c(C[*:1])nnc21
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)N3CCCC3)cc2)c1 CC(C)O[*:1] O=C(NC(=S)Nc1ccc(cc1)C(=O)N1CCCC1)c1cccc(c1)[*:1]
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)N3CCCC3)cc2)c1 CC(C)[*:1] O=C(NC(=S)Nc1ccc(cc1)C(=O)N1CCCC1)c1cccc(c1)O[*:1]
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)N3CCCC3)cc2)c1 O=C(N1CCCC1)[*:1] CC(C)Oc1cccc(c1)C(=O)NC(=S)Nc1ccc(cc1)[*:1]
C[NH2+][C@H]1[C@H]([S@@](=O)C(C)(C)C)CCCC1(C)C CC(C)(C)[*:1] C[NH2+][C@H]1[C@@H](CCCC1(C)C)[S@@](=O)[*:1]
COc1ccc(C(=O)NCC[NH+]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C(=O)NCC[NH+]1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
COc1ccc(C(=O)NCC[NH+]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)c1nc2ccc(cc2s1)[N+](=O)[O-])[*:1]
Cc1cc([N-]S(=O)(=O)c2cnn(C)c2)ccc1C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1cc(ccc1C(=O)O[*:1])[N-]S(=O)(=O)c1cnn(C)c1
Cc1cc([N-]S(=O)(=O)c2cnn(C)c2)ccc1C(=O)OC(C)(C)C CC(C)(C)OC(=O)[*:1] Cc1cc(ccc1[*:1])[N-]S(=O)(=O)c1cnn(C)c1
Cc1cc([N-]S(=O)(=O)c2cnn(C)c2)ccc1C(=O)OC(C)(C)C Cn1cc(cn1)[*:1] Cc1cc(ccc1C(=O)OC(C)(C)C)[N-]S(=O)(=O)[*:1]
[NH3+]C[C@@H]1CCCN(S(=O)(=O)Cc2ccccn2)C1 c1ccc(nc1)[*:1] [NH3+]C[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
Cc1cc(NC(=O)c2cc3ccccc3o2)c(C(N)=O)cc1F NC(=O)[*:1] Cc1cc(NC(=O)c2cc3ccccc3o2)c(cc1F)[*:1]
CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 CCS(=O)(=O)CC[*:1] O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[*:1]
CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 CCS(=O)(=O)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc2[nH]ccc2c1
CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 CCS(=O)(=O)C[*:1] O=C(NC[*:1])C(=O)Nc1ccc2[nH]ccc2c1
C[C@](O)(CNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1)c1ccco1 C[C@](O)(c1ccco1)[*:1] O=C(NC[*:1])N[C@H]1CCCC[C@@H]1n1cccn1
C[C@](O)(CNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1)c1ccco1 c1cnn(c1)[*:1] C[C@](O)(CNC(=O)N[C@H]1CCCC[C@H]1[*:1])c1ccco1
C[C@](O)(CNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1)c1ccco1 c1coc(c1)[*:1] C[C@](O)(CNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1)[*:1]
COC(=O)c1cncc(N2CC(O)(C(C)C)C2)n1 COC(=O)[*:1] CC(C)C1(O)CN(C1)c1cncc(n1)[*:1]
COC(=O)c1cncc(N2CC(O)(C(C)C)C2)n1 CC(C)[*:1] COC(=O)c1cncc(n1)N1CC(O)(C1)[*:1]
CCOC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1[*:1]
CCOC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 CCOC(=O)[*:1] C[C@H](Sc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)[*:1]
CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(CCOC)c1 COCC[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(c1)[*:1]
CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(CCOC)c1 COC[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(c1)C[*:1]
C#Cc1cc(F)c(NC(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)c(F)c1 c1ccc(cc1)[*:1] C#Cc1cc(F)c(NC(=O)N2C[C@H]3CCCC[C@]32[*:1])c(F)c1
C[C@@H]1CC(=O)N(c2ccccc2)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H]1CC(=O)N(N(C1=O)c1ccccc1)[*:1]
C[C@@H]1CC(=O)N(c2ccccc2)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H]1CC(=O)N(c2ccccc2)N(C1=O)[*:1]
O=C(NCc1nc(-c2cnccn2)n[nH]1)c1cn(-c2ccccc2)nn1 c1cnc(cn1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])c1cn(nn1)-c1ccccc1
O=C(NCc1nc(-c2cnccn2)n[nH]1)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(NCc1nc(n[nH]1)-c1cnccn1)c1cn(nn1)[*:1]
Cc1ccc([C@H]2c3cc(OCC(=O)NCC4CC4)ccc3CCN2C(=O)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc2CCN(C(=O)C3CC3)[C@H](c2c1)[*:1])NCC1CC1
Cc1ccc([C@H]2c3cc(OCC(=O)NCC4CC4)ccc3CCN2C(=O)C2CC2)cc1 O=C(C[*:1])NCC1CC1 Cc1ccc(cc1)[C@H]1c2cc(ccc2CCN1C(=O)C1CC1)O[*:1]
Cc1ccc([C@H]2c3cc(OCC(=O)NCC4CC4)ccc3CCN2C(=O)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H]1c2cc(ccc2CCN1C(=O)C1CC1)OCC(=O)NC[*:1]
Cc1ccc([C@H]2c3cc(OCC(=O)NCC4CC4)ccc3CCN2C(=O)C2CC2)cc1 O=C(CO[*:1])NCC1CC1 Cc1ccc(cc1)[C@H]1c2cc(ccc2CCN1C(=O)C1CC1)[*:1]
Cc1ccc([C@H]2c3cc(OCC(=O)NCC4CC4)ccc3CCN2C(=O)C2CC2)cc1 C1CC1C[*:1] Cc1ccc(cc1)[C@H]1c2cc(ccc2CCN1C(=O)C1CC1)OCC(=O)N[*:1]
Cc1ccc([C@H]2c3cc(OCC(=O)NCC4CC4)ccc3CCN2C(=O)C2CC2)cc1 O=C(NCC1CC1)[*:1] Cc1ccc(cc1)[C@H]1c2cc(ccc2CCN1C(=O)C1CC1)OC[*:1]
Cc1ccc([C@H]2c3cc(OCC(=O)NCC4CC4)ccc3CCN2C(=O)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H]1c2cc(ccc2CCN1C(=O)[*:1])OCC(=O)NCC1CC1
O=C(Nc1ccc2c(c1)COC2)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(Nc1ccc2COCc2c1)N1CC[NH+](CC1)[*:1]
C[C@@H](OC(=O)CSc1nnnn1C)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](OC(=O)CSc1nnnn1C)[*:1]
C[C@@H](OC(=O)CSc1nnnn1C)c1ccccn1 Cn1nnnc1[*:1] C[C@@H](OC(=O)CS[*:1])c1ccccn1
CC[C@@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)N[C@@H](C)c1nc(no1)C(C)(C)C)[*:1]
CC[C@@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)c1c(C)nn(C)c1C CC(C)(C)[*:1] CC[C@@H](NC(=O)N[C@@H](C)c1nc(no1)[*:1])c1c(C)nn(C)c1C
CCn1c(C)cc(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc21 Fc1ccc(c(F)c1)[*:1] CCn1c(C)cc(=O)c2cc(ccc21)C(=O)N[*:1]
Cc1ccc(OCCNC(=O)[C@H]2COc3ccccc3O2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])[C@H]1COc2ccccc2O1
N#Cc1ccc(CCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CC[*:1])NC[C@H](c1ccco1)[NH+]1CCCC1
N#Cc1ccc(CCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 c1coc(c1)[*:1] N#Cc1ccc(cc1)CCC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
COC[C@@H](C)NC(=O)CS(=O)(=O)c1ccc(F)c(Cl)c1 COC[*:1] C[C@@H](NC(=O)CS(=O)(=O)c1ccc(F)c(Cl)c1)[*:1]
COC[C@@H](C)NC(=O)CS(=O)(=O)c1ccc(F)c(Cl)c1 COC[C@@H](C)[*:1] O=C(CS(=O)(=O)c1ccc(F)c(Cl)c1)N[*:1]
CCOC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1-n1cnnn1 c1nnnn1[*:1] CCOC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1[*:1]
CCOC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1-n1cnnn1 CCOC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1cc(Br)ccc1-n1cnnn1
O=C(NCc1nc(-c2cccs2)n[nH]1)NC[C@H]1CC=CCC1 c1csc(c1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])NC[C@H]1CC=CCC1
CC(C)n1ccc(=O)nc1S[C@H]1CCN(c2ccccc2F)C1=O CC(C)[*:1] O=C1[C@H](CCN1c1ccccc1F)Sc1nc(=O)ccn1[*:1]
CC(C)n1ccc(=O)nc1S[C@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] CC(C)n1ccc(=O)nc1S[C@H]1CCN(C1=O)[*:1]
Cc1cc([O-])nc(-n2nc(C)cc2NC(=O)CC(C)C)n1 CC(C)C[*:1] Cc1cc([O-])nc(n1)-n1nc(C)cc1NC(=O)[*:1]
Cc1cc([O-])nc(-n2nc(C)cc2NC(=O)CC(C)C)n1 CC(C)[*:1] Cc1cc([O-])nc(n1)-n1nc(C)cc1NC(=O)C[*:1]
Cc1cc([O-])nc(-n2nc(C)cc2NC(=O)CC(C)C)n1 CC(C)CC(=O)N[*:1] Cc1cc([O-])nc(n1)-n1nc(C)cc1[*:1]
CC[C@@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)C1CC1 C1CC1[*:1] CC[C@@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)[*:1]
COc1ccc(CC(=O)NCCSc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)NCCS[*:1]
C=CCN(C(=O)[C@@H](C)C[NH2+]C)C(C)C CC(C)[*:1] C=CCN(C(=O)[C@@H](C)C[NH2+]C)[*:1]
C=CCN(C(=O)[C@@H](C)C[NH2+]C)C(C)C C=CC[*:1] C[NH2+]C[C@H](C)C(=O)N(C(C)C)[*:1]
Cc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 O=C(NC1CCCCC1)[*:1] Cc1ccc(cc1)CN(C(=O)c1csnn1)[C@@H](c1ccccc1)[*:1]
Cc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)[*:1]
Cc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 c1snnc1[*:1] Cc1ccc(cc1)CN(C(=O)[*:1])[C@@H](C(=O)NC1CCCCC1)c1ccccc1
Cc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C[*:1])C(=O)c1csnn1
Cc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)CN(C(=O)c1csnn1)[C@@H](C(=O)N[*:1])c1ccccc1
Cc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 Cc1ccc(cc1)C[*:1] O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1csnn1)[*:1]
CCCn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cccc(F)c21 CCC[*:1] O=C(/N=c1\sc2cccc(F)c2n1[*:1])c1cccc(c1)N1C(=O)CCC1=O
CCCn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cccc(F)c21 O=C1CCC(=O)N1[*:1] CCCn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2cccc(F)c21
CCCn1c(=O)c2cc(F)ccc2n2c(SCC(=O)Nc3cc(Cl)ccc3OC)nnc12 COc1ccc(Cl)cc1[*:1] CCCn1c(=O)c2cc(F)ccc2n2c(nnc12)SCC(=O)N[*:1]
CCCn1c(=O)c2cc(F)ccc2n2c(SCC(=O)Nc3cc(Cl)ccc3OC)nnc12 CCC[*:1] COc1ccc(Cl)cc1NC(=O)CSc1nnc2n(c(=O)c3cc(F)ccc3n12)[*:1]
Cc1cccc(Cl)c1NC(=O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1cccc(Cl)c1NC(=O)c1ccccc1[*:1]
CC[C@@H](C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 NS(=O)(=O)[*:1] CC[C@@H](C)NS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
O=C1NC(=O)C2(CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)N1 c1ncn(n1)[*:1] O=C1NC(=O)C2(CCN(CC2)C(=O)c2ccc(cc2)[*:1])N1
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])N[C@H]1CCO[C@H]1c1ccc(Cl)cc1
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])N[C@H]1CCO[C@@H]1[*:1]
Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccccc2C(F)(F)F)[nH]c(=O)c1C FC(F)(F)c1ccccc1[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)[*:1])C1CC1
Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccccc2C(F)(F)F)[nH]c(=O)c1C C1CC1[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)c1ccccc1C(F)(F)F)[*:1]
Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccccc2C(F)(F)F)[nH]c(=O)c1C Cc1nc([nH]c(=O)c1C)[*:1] O=C(Nc1cc(nn1[*:1])C1CC1)c1ccccc1C(F)(F)F
Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccccc2C(F)(F)F)[nH]c(=O)c1C FC(F)(F)[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)c1ccccc1[*:1])C1CC1
COCCN(C(=O)c1ccn(-c2ccccc2F)n1)[C@@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] COCCN(C(=O)c1ccn(n1)[*:1])[C@@H]1CCS(=O)(=O)C1
COCCN(C(=O)c1ccn(-c2ccccc2F)n1)[C@@H]1CCS(=O)(=O)C1 COC[*:1] O=C(c1ccn(n1)-c1ccccc1F)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COCCN(C(=O)c1ccn(-c2ccccc2F)n1)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] O=C(c1ccn(n1)-c1ccccc1F)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C[NH+](C)[C@@H](C[NH2+]CC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](C[NH2+]CC(=O)N[C@H]1CCCc2ccccc21)[*:1]
Cc1ccc(SC2(C(=O)NC[C@@H](C)C[C@H](C)O)CCCC2)cc1 C[C@H](O)C[*:1] Cc1ccc(cc1)SC1(CCCC1)C(=O)NC[C@@H](C)[*:1]
Cc1ccc(SC2(C(=O)NC[C@@H](C)C[C@H](C)O)CCCC2)cc1 C[C@H](O)[*:1] Cc1ccc(cc1)SC1(CCCC1)C(=O)NC[C@@H](C)C[*:1]
Cc1ccc(SC2(C(=O)NC[C@@H](C)C[C@H](C)O)CCCC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O)C[C@H](C)CNC(=O)C1(CCCC1)S[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccccc2COc2ccccc2)C1 c1ccc(cc1)O[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1ccccc1C[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccccc2COc2ccccc2)C1 c1ccc(cc1)OC[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1ccccc1[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccccc2COc2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1ccccc1CO[*:1]
N#Cc1ccc(S(=O)(=O)[N-][C@H](C#N)c2ccccc2F)cc1Cl Fc1ccccc1[*:1] N#Cc1ccc(cc1Cl)S(=O)(=O)[N-][C@H](C#N)[*:1]
CCCN1CCC[C@@]2(CCN(c3ccc(C(=O)[O-])c[nH+]3)C2)C1=O O=C([O-])[*:1] CCCN1CCC[C@@]2(CCN(C2)c2ccc(c[nH+]2)[*:1])C1=O
CCCN1CCC[C@@]2(CCN(c3ccc(C(=O)[O-])c[nH+]3)C2)C1=O CCC[*:1] O=C([O-])c1ccc([nH+]c1)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
Cn1cc(C2CCN(C(=O)C[C@@H](O)c3cccc(F)c3)CC2)cn1 Cn1cc(cn1)[*:1] O=C(C[C@@H](O)c1cccc(F)c1)N1CCC(CC1)[*:1]
Cn1cc(C2CCN(C(=O)C[C@@H](O)c3cccc(F)c3)CC2)cn1 Fc1cccc(c1)[*:1] Cn1cc(cn1)C1CCN(CC1)C(=O)C[C@@H](O)[*:1]
O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccc2Cc3ccccc3-c2c1)[*:1]
C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCC2=c3ccccc3=[NH+]C2)CC1=O c1ccc(cc1)[*:1] C[C@H](N1C[C@H](CC1=O)C(=O)NCCC1C[NH+]=c2ccccc2=1)[*:1]
C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCC2=c3ccccc3=[NH+]C2)CC1=O C[C@H](c1ccccc1)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)[C@H]1CC(=O)N(C1)[*:1]
N#CCNC(=O)CCc1ncc(-c2ccccc2)o1 N#CCNC(=O)[*:1] c1ccc(cc1)-c1cnc(CC[*:1])o1
N#CCNC(=O)CCc1ncc(-c2ccccc2)o1 N#CC[*:1] O=C(CCc1ncc(o1)-c1ccccc1)N[*:1]
N#CCNC(=O)CCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] N#CCNC(=O)CCc1ncc(o1)[*:1]
C[C@@H]1Cc2ccccc2N1c1cncc(C(N)=O)n1 NC(=O)[*:1] C[C@@H]1Cc2ccccc2N1c1cncc(n1)[*:1]
CCOC(=O)c1ccc(NC(=O)CC2CCCCC2)cc1 C1CCC(CC1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)C[*:1]
CCOC(=O)c1ccc(NC(=O)CC2CCCCC2)cc1 CCOC(=O)[*:1] O=C(CC1CCCCC1)Nc1ccc(cc1)[*:1]
CCOC(=O)c1ccc(NC(=O)CC2CCCCC2)cc1 C1CCC(CC1)C[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)N1CC[C@@H]2OCCC[C@@H]2C1 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])N1CC[C@@H]2OCCC[C@@H]2C1
Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cc(ccc1S(=O)(=O)N1CCN(CC1)[*:1])N1CCCCS1(=O)=O
Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 O=S1(=O)CCCCN1[*:1] Cc1cc(ccc1S(=O)(=O)N1CCN(CC1)c1ccccc1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc(F)cc2F)cc1 O=[N+]([O-])[*:1] O=S(=O)(NCCc1ccc(F)cc1F)c1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 CC[C@@H](C)[*:1] CC1CCN(CC1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 CC[C@@H](C)NC(=O)[*:1] CC1CCN(CC1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccc(C(=O)NC2CC[NH+](CC(=O)NCc3ccccc3)CC2)o1 Cc1ccc(o1)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)[*:1])NCc1ccccc1
Cc1ccc(C(=O)NC2CC[NH+](CC(=O)NCc3ccccc3)CC2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)NC1CC[NH+](CC1)CC(=O)NC[*:1]
Cc1ccc(C(=O)NC2CC[NH+](CC(=O)NCc3ccccc3)CC2)o1 c1ccc(cc1)C[*:1] Cc1ccc(o1)C(=O)NC1CC[NH+](CC1)CC(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c(O)c1 Fc1ccccc1[*:1] Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[*:1])c(O)c1
CCOC(=O)c1csc(N2N=C(c3ccccc3)C[C@]2(O)C(F)F)n1 FC(F)[*:1] CCOC(=O)c1csc(n1)N1N=C(C[C@@]1(O)[*:1])c1ccccc1
CCOC(=O)c1csc(N2N=C(c3ccccc3)C[C@]2(O)C(F)F)n1 c1ccc(cc1)[*:1] CCOC(=O)c1csc(n1)N1N=C(C[C@]1(O)C(F)F)[*:1]
CCOC(=O)c1csc(N2N=C(c3ccccc3)C[C@]2(O)C(F)F)n1 CCOC(=O)[*:1] O[C@@]1(CC(=NN1c1nc(cs1)[*:1])c1ccccc1)C(F)F
CCC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)N[*:1]
CCC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 CCC(=O)N[*:1] O=C(Nc1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
CC[C@H](C)C(=O)NCc1ccccc1 CC[C@H](C)[*:1] O=C(NCc1ccccc1)[*:1]
CC[C@H](C)NC(=O)C1CCN(c2ccc(Sc3cccc(F)c3)nn2)CC1 Fc1cccc(c1)S[*:1] CC[C@H](C)NC(=O)C1CCN(CC1)c1ccc(nn1)[*:1]
CC[C@H](C)NC(=O)C1CCN(c2ccc(Sc3cccc(F)c3)nn2)CC1 Fc1cccc(c1)[*:1] CC[C@H](C)NC(=O)C1CCN(CC1)c1ccc(nn1)S[*:1]
CC[C@H](C)NC(=O)C1CCN(c2ccc(Sc3cccc(F)c3)nn2)CC1 CC[C@H](C)NC(=O)[*:1] Fc1cccc(c1)Sc1ccc(nn1)N1CCC(CC1)[*:1]
CC[C@H](C)NC(=O)C1CCN(c2ccc(Sc3cccc(F)c3)nn2)CC1 CC[C@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(nn1)Sc1cccc(F)c1
O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc3[nH]ncc23)c1 O=C([O-])[*:1] O=S(=O)([N-]c1cccc2[nH]ncc12)c1cc(cs1)[*:1]
CC(C)[NH+]1CCN(C(=O)Nc2ccc([S@@](C)=O)cc2)CC1 CC(C)[*:1] C[S@@](=O)c1ccc(cc1)NC(=O)N1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCN(C(=O)Nc2ccc([S@@](C)=O)cc2)CC1 C[S@@](=O)[*:1] CC(C)[NH+]1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc2nc(N[C@@H](C)[C@H]3CCCO3)sc2c1 C1CO[C@H](C1)[*:1] CCOc1ccc2nc(N[C@@H](C)[*:1])sc2c1
CCOc1ccc2nc(N[C@@H](C)[C@H]3CCCO3)sc2c1 CCO[*:1] C[C@H](Nc1nc2ccc(cc2s1)[*:1])[C@H]1CCCO1
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C1C(C)(C)C1(C)C NS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)C1C(C)(C)C1(C)C)[*:1]
Cc1ccc(S(N)(=O)=O)cc1NC(=O)C1C(C)(C)C1(C)C CC1(C)C(C1(C)C)[*:1] Cc1ccc(cc1NC(=O)[*:1])S(N)(=O)=O
Cc1oc(C(=O)N(C)[C@H](C)c2ccccc2)cc1S(=O)(=O)N(C)C c1ccc(cc1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)N(C)[C@H](C)[*:1]
Cc1oc(C(=O)N(C)[C@H](C)c2ccccc2)cc1S(=O)(=O)N(C)C C[C@H](c1ccccc1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)N(C)[*:1]
Cc1oc(C(=O)N(C)[C@H](C)c2ccccc2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N(C)[C@H](C)c1ccccc1
N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)NC[*:1]
N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H]2CCCO2)CC1 N#Cc1ccccc1[*:1] O=C(NC[C@@H]1CCCO1)N1CCCN(CC1)[*:1]
C[C@@H](C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)[*:1]
C[C@@H](C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)S(C)(=O)=O C[C@@H](S(C)(=O)=O)[*:1] O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[*:1]
COc1ccc([C@@H](C)[NH2+]Cc2ccnc(OC3CCC3)c2)cc1 C1CC(C1)[*:1] COc1ccc(cc1)[C@@H](C)[NH2+]Cc1ccnc(c1)O[*:1]
COc1ccc([C@@H](C)[NH2+]Cc2ccnc(OC3CCC3)c2)cc1 C1CC(C1)O[*:1] COc1ccc(cc1)[C@@H](C)[NH2+]Cc1ccnc(c1)[*:1]
CCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(CC1)[*:1]
CCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)C[*:1] CCC[C@H](c1nnnn1[*:1])[NH+]1CCN(CC1)c1ccc(F)cc1
CCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] CCC[C@H](c1nnnn1C[*:1])[NH+]1CCN(CC1)c1ccc(F)cc1
CCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 CCC[*:1] Fc1ccc(cc1)N1CC[NH+](CC1)[C@@H](c1nnnn1Cc1ccccc1)[*:1]
O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(Cl)c(c1)C(F)(F)F)[C@@H](Cc1ccccc1)NC(=O)[*:1]
O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 c1ccc(cc1)C[*:1] O=C(N[C@H](C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)[*:1])c1ccco1
O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 FC(F)(F)[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(c1)[*:1])c1ccco1
O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(Nc1ccc(Cl)c(c1)C(F)(F)F)[C@@H](Cc1ccccc1)[*:1]
O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccco1
CCCc1cc(C(=O)NCc2cc(F)ccc2C(F)(F)F)n(C)n1 FC(F)(F)[*:1] CCCc1cc(C(=O)NCc2cc(F)ccc2[*:1])n(C)n1
CCCc1cc(C(=O)NCc2cc(F)ccc2C(F)(F)F)n(C)n1 CCC[*:1] Cn1nc(cc1C(=O)NCc1cc(F)ccc1C(F)(F)F)[*:1]
Cc1c(C)n2c3c(=O)n(CC[NH+]4CCCCC4)c(=O)n(C)c3nc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(C)n2c3c(=O)n(CC[NH+]4CCCCC4)c(=O)n(C)c3nc2n1[*:1]
CC(C)(C)c1noc(CCC(=O)Nc2ccccc2O)n1 Oc1ccccc1[*:1] CC(C)(C)c1noc(CCC(=O)N[*:1])n1
CC(C)(C)c1noc(CCC(=O)Nc2ccccc2O)n1 CC(C)(C)[*:1] O=C(CCc1nc(no1)[*:1])Nc1ccccc1O
Cc1nn(CC(=O)NCCc2nnc(-c3ccccc3)o2)c(C)c1Cl c1ccc(cc1)[*:1] Cc1nn(CC(=O)NCCc2nnc(o2)[*:1])c(C)c1Cl
Cc1nn(CC(=O)NCCc2nnc(-c3ccccc3)o2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] O=C(C[*:1])NCCc1nnc(o1)-c1ccccc1
CCOc1cccc([C@H]2C[NH+]=C(N)N2C(C)C)c1 CCO[*:1] CC(C)N1C(N)=[NH+]C[C@@H]1c1cccc(c1)[*:1]
CCOc1cccc([C@H]2C[NH+]=C(N)N2C(C)C)c1 CC(C)[*:1] CCOc1cccc(c1)[C@H]1C[NH+]=C(N)N1[*:1]
C[C@@H](O)[C@H](C)C[C@H](O)C(C)(C)C C[C@@H](O)[*:1] C[C@H](C[C@H](O)C(C)(C)C)[*:1]
C[C@@H](O)[C@H](C)C[C@H](O)C(C)(C)C CC(C)(C)[*:1] C[C@@H](O)[C@H](C)C[C@H](O)[*:1]
CC(C)(N)C1=NC(=O)C2(CCCCCC2)C(=O)N1 CC(C)(N)[*:1] O=C1N=C(NC(=O)C12CCCCCC2)[*:1]
CCC[C@H](Oc1ccccc1C)C(=O)[O-] CCC[*:1] Cc1ccccc1O[C@H](C(=O)[O-])[*:1]
CCC[C@H](Oc1ccccc1C)C(=O)[O-] O=C([O-])[*:1] CCC[C@H](Oc1ccccc1C)[*:1]
CN(C)C(=O)c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1 CN(C)C(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(Br)c(F)c1
COc1cccc([C@@H](C)CC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)N[C@@H](c1ccncc1)[*:1]
COc1cccc([C@@H](C)CC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 COc1cccc(c1)[*:1] C[C@@H](CC(=O)N[C@@H](c1ccccc1)c1ccncc1)[*:1]
COc1cccc([C@@H](C)CC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)N[C@@H](c1ccccc1)[*:1]
CCC[NH2+][C@@H]1CCN(CCCc2ccccc2)[C@H](C)[C@@H]1C CCC[*:1] C[C@@H]1[C@@H](CCN(CCCc2ccccc2)[C@@H]1C)[NH2+][*:1]
CCC[NH2+][C@@H]1CCN(CCCc2ccccc2)[C@H](C)[C@@H]1C c1ccc(cc1)C[*:1] CCC[NH2+][C@@H]1CCN(CC[*:1])[C@H](C)[C@@H]1C
CCC[NH2+][C@@H]1CCN(CCCc2ccccc2)[C@H](C)[C@@H]1C c1ccc(cc1)[*:1] CCC[NH2+][C@@H]1CCN(CCC[*:1])[C@H](C)[C@@H]1C
CCn1cc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)c(=O)c2ccc(C)nc21 O=C(NC1CCCCC1)[*:1] CCn1cc(C(=O)O[C@H](C)[*:1])c(=O)c2ccc(C)nc21
CCn1cc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)c(=O)c2ccc(C)nc21 C1CCC(CC1)[*:1] CCn1cc(C(=O)O[C@H](C)C(=O)N[*:1])c(=O)c2ccc(C)nc21
CCOc1c(Br)cc(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1OC O=C1CCCN1[*:1] CCOc1c(Br)cc(/C=C2\N=C(OC2=O)c2ccc(cc2)[*:1])cc1OC
CCOc1c(Br)cc(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1OC CCO[*:1] COc1cc(/C=C2\N=C(OC2=O)c2ccc(cc2)N2CCCC2=O)cc(Br)c1[*:1]
CCc1cc[n+]([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 c1ccc(cc1)O[*:1] CCc1cc[n+](cc1)[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCc1cc[n+]([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] CCc1cc[n+](cc1)[C@@H](C)C(=O)Nc1ccc(cc1)O[*:1]
OCC1(C[NH+]2CCN(Cc3ccon3)CC2)COC1 c1cc(C[*:1])no1 OCC1(COC1)C[NH+]1CCN(CC1)[*:1]
OCC1(C[NH+]2CCN(Cc3ccon3)CC2)COC1 c1cc(no1)[*:1] OCC1(COC1)C[NH+]1CCN(CC1)C[*:1]
OCC1(C[NH+]2CCN(Cc3ccon3)CC2)COC1 OCC1(COC1)[*:1] c1cc(CN2CC[NH+](CC2)C[*:1])no1
Cc1ccc(C(=O)N(C)C)cc1OCC(=O)N1CCc2ccccc2C1 CN(C)C(=O)[*:1] Cc1ccc(cc1OCC(=O)N1CCc2ccccc2C1)[*:1]
Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)NC[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O Cc1ccccc1[*:1] O=C(NC[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)N[*:1]
Cc1nc(-c2nc[nH]n2)sc1C(=O)OCc1ncc(Cl)n1C Cn1c(Cl)cnc1[*:1] Cc1nc(sc1C(=O)OC[*:1])-c1nc[nH]n1
Cc1nc(-c2nc[nH]n2)sc1C(=O)OCc1ncc(Cl)n1C c1nc(n[nH]1)[*:1] Cc1nc(sc1C(=O)OCc1ncc(Cl)n1C)[*:1]
O=C1CCCN1CCCN1C[C@@H](C(=O)N2CCC(c3ccncc3)CC2)CCC1=O c1cc(ccn1)[*:1] O=C1CCCN1CCCN1C[C@H](CCC1=O)C(=O)N1CCC(CC1)[*:1]
O=C1CCCN1CCCN1C[C@@H](C(=O)N2CCC(c3ccncc3)CC2)CCC1=O O=C1CCCN1CCC[*:1] O=C([C@H]1CCC(=O)N(C1)[*:1])N1CCC(CC1)c1ccncc1
O=C1CCCN1CCCN1C[C@@H](C(=O)N2CCC(c3ccncc3)CC2)CCC1=O O=C1CCCN1CC[*:1] O=C1CC[C@@H](CN1C[*:1])C(=O)N1CCC(CC1)c1ccncc1
O=C1CCCN1CCCN1C[C@@H](C(=O)N2CCC(c3ccncc3)CC2)CCC1=O O=C1CCCN1C[*:1] O=C1CC[C@@H](CN1CC[*:1])C(=O)N1CCC(CC1)c1ccncc1
O=C1CCCN1CCCN1C[C@@H](C(=O)N2CCC(c3ccncc3)CC2)CCC1=O O=C1CCCN1[*:1] O=C1CC[C@@H](CN1CCC[*:1])C(=O)N1CCC(CC1)c1ccncc1
COC(=O)c1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3cc(C)ccc3n2)c1 COC(=O)[*:1] Cc1ccc2nc(cc(=O)n2c1)COc1cccc(c1)NC(=O)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3cc(C)ccc3n2)c1 COC(=O)c1ccccc1[*:1] Cc1ccc2nc(cc(=O)n2c1)COc1cccc(c1)NC(=O)N[*:1]
CC(C)(C)Oc1cc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])N[C@H]1CCO[C@@H]1c1ccccc1
CC(C)(C)Oc1cc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])N[C@H]1CCO[C@@H]1c1ccccc1
CC(C)(C)Oc1cc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)ccn1 c1ccc(cc1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)N[C@H]1CCO[C@H]1[*:1]
CCC[NH2+][C@H]1[C@@H](Oc2ccccc2OC)CCCC1(C)C CCC[*:1] COc1ccccc1O[C@H]1CCCC(C)(C)[C@H]1[NH2+][*:1]
CCNC(=O)[C@H]1C[NH2+]CCN1c1nc2ccc(C)cn2n1 CCNC(=O)[*:1] Cc1ccc2nc(nn2c1)N1CC[NH2+]C[C@@H]1[*:1]
CCS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)C1 CCS[*:1] O=C(Nc1ccc(F)c(Cl)c1)C(=O)N[C@@H]1CC[C@@H](C1)[*:1]
CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cn(C)nc1OC Clc1ccc(cc1)C[*:1] CCn1c(nnc1-c1cn(C)nc1OC)S[*:1]
CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cn(C)nc1OC COc1nn(C)cc1[*:1] CCn1c(nnc1[*:1])SCc1ccc(Cl)cc1
CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cn(C)nc1OC Clc1ccc(cc1)[*:1] CCn1c(nnc1-c1cn(C)nc1OC)SC[*:1]
Cc1noc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)c1C C1CN(CCO1)C[*:1] Cc1noc(-c2cnc(nc2-c2ccco2)NCC[*:1])c1C
Cc1noc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)c1C c1coc(c1)[*:1] Cc1noc(-c2cnc(nc2[*:1])NCCCN2CCOCC2)c1C
Cc1noc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)c1C Cc1noc(c1C)[*:1] c1coc(c1)-c1nc(ncc1[*:1])NCCCN1CCOCC1
Cc1noc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)c1C C1CN(CCO1)[*:1] Cc1noc(-c2cnc(nc2-c2ccco2)NCCC[*:1])c1C
Cc1noc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)c1C C1CN(CCO1)CC[*:1] Cc1noc(-c2cnc(nc2-c2ccco2)NC[*:1])c1C
Cc1noc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)c1C C(CN1CCOCC1)C[*:1] Cc1noc(-c2cnc(nc2-c2ccco2)N[*:1])c1C
Cc1ccc(OC[C@H](O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 Cc1ccc(cc1)O[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(C[C@@H](O)C[*:1])C2=O
Cc1ccc(OC[C@H](O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(C[C@@H](O)CO[*:1])C2=O
CCn1cnnc1-c1cccc(NC(=O)c2cc(-c3cccs3)n[nH]2)c1 c1csc(c1)[*:1] CCn1cnnc1-c1cccc(c1)NC(=O)c1cc(n[nH]1)[*:1]
CCn1cnnc1-c1cccc(NC(=O)c2cc(-c3cccs3)n[nH]2)c1 CCn1cnnc1[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(n[nH]1)-c1cccs1
CC(=O)c1c[nH]c(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] CC(=O)c1c[nH]c(c1)C(=O)N1CCC(CC1)[*:1]
CC(=O)c1c[nH]c(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1 CC(=O)[*:1] O=C(c1cc(c[nH]1)[*:1])N1CCC(CC1)c1ccc(F)cc1
COCCCNC(=O)C1CC[NH+](Cc2cccc3cn[nH]c23)CC1 COCC[*:1] O=C(NC[*:1])C1CC[NH+](CC1)Cc1cccc2cn[nH]c12
COCCCNC(=O)C1CC[NH+](Cc2cccc3cn[nH]c23)CC1 COCCC[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1cccc2cn[nH]c12
COCCCNC(=O)C1CC[NH+](Cc2cccc3cn[nH]c23)CC1 COCCCNC(=O)[*:1] c1cc(C[NH+]2CCC(CC2)[*:1])c2[nH]ncc2c1
COCCCNC(=O)C1CC[NH+](Cc2cccc3cn[nH]c23)CC1 COC[*:1] O=C(NCC[*:1])C1CC[NH+](CC1)Cc1cccc2cn[nH]c12
CC[C@H](Cc1ccc(C)cc1)NC(=O)CNC(=O)c1cc(C)oc1C Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)CNC(=O)c1cc(C)oc1C
CC[C@H](Cc1ccc(C)cc1)NC(=O)CNC(=O)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] CC[C@H](Cc1ccc(C)cc1)NC(=O)CNC(=O)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)CNC(=O)c1cc(C)oc1C Cc1ccc(cc1)C[*:1] CC[C@H](NC(=O)CNC(=O)c1cc(C)oc1C)[*:1]
CC(C)NC(=O)[C@H](C)Oc1ccc(C(N)=O)cc1 CC(C)[*:1] C[C@H](Oc1ccc(cc1)C(N)=O)C(=O)N[*:1]
CC(C)NC(=O)[C@H](C)Oc1ccc(C(N)=O)cc1 CC(C)NC(=O)[*:1] C[C@H](Oc1ccc(cc1)C(N)=O)[*:1]
CC(C)NC(=O)[C@H](C)Oc1ccc(C(N)=O)cc1 NC(=O)[*:1] CC(C)NC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
CCCN(CCC[NH3+])C(=O)C[C@H]1CCCCO1 [NH3+]CC[*:1] CCCN(C[*:1])C(=O)C[C@H]1CCCCO1
CCCN(CCC[NH3+])C(=O)C[C@H]1CCCCO1 CCC[*:1] [NH3+]CCCN(C(=O)C[C@H]1CCCCO1)[*:1]
CCCN(CCC[NH3+])C(=O)C[C@H]1CCCCO1 [NH3+]CCC[*:1] CCCN(C(=O)C[C@H]1CCCCO1)[*:1]
Cc1ccccc1NC(=O)c1sc(-c2ccsc2)nc1C c1cc(cs1)[*:1] Cc1ccccc1NC(=O)c1sc(nc1C)[*:1]
Cc1ccccc1NC(=O)c1sc(-c2ccsc2)nc1C Cc1ccccc1[*:1] Cc1nc(sc1C(=O)N[*:1])-c1ccsc1
CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)n1 CCc1ccc(cc1)[*:1] CCOC(=O)c1cc(n(n1)-c1ccc(cc1)C(=O)N1CCCC[C@@H]1C)[*:1]
CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)n1 CCOC(=O)[*:1] CCc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)C(=O)N1CCCC[C@@H]1C)[*:1]
COc1cccc(CN2Cc3cc(NC(=O)c4cccc(F)c4)ccc3O[C@H](C)C2=O)c1OC COc1cccc(C[*:1])c1OC C[C@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)c1cccc(F)c1
COc1cccc(CN2Cc3cc(NC(=O)c4cccc(F)c4)ccc3O[C@H](C)C2=O)c1OC O=C(N[*:1])c1cccc(F)c1 COc1cccc(CN2Cc3cc(ccc3O[C@H](C)C2=O)[*:1])c1OC
COc1cccc(CN2Cc3cc(NC(=O)c4cccc(F)c4)ccc3O[C@H](C)C2=O)c1OC Fc1cccc(c1)[*:1] COc1cccc(CN2Cc3cc(ccc3O[C@H](C)C2=O)NC(=O)[*:1])c1OC
COc1cccc(CN2Cc3cc(NC(=O)c4cccc(F)c4)ccc3O[C@H](C)C2=O)c1OC COc1cccc(c1OC)[*:1] C[C@H]1Oc2ccc(cc2CN(C[*:1])C1=O)NC(=O)c1cccc(F)c1
COC[C@H](C)NC(=S)N1CCN(c2ncccn2)CC1 COC[*:1] C[C@H](NC(=S)N1CCN(CC1)c1ncccn1)[*:1]
COC[C@H](C)NC(=S)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] COC[C@H](C)NC(=S)N1CCN(CC1)[*:1]
COC[C@H](C)NC(=S)N1CCN(c2ncccn2)CC1 COC[C@H](C)[*:1] S=C(N[*:1])N1CCN(CC1)c1ncccn1
CN(C)c1cc(CNC(=O)[C@@]2(C)CCCO2)cc[nH+]1 C[C@]1(CCCO1)[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)[*:1]
CN(C)c1cc(CNC(=O)[C@@]2(C)CCCO2)cc[nH+]1 CN(C)[*:1] C[C@@]1(CCCO1)C(=O)NCc1cc[nH+]c(c1)[*:1]
CCC(CC)C(=O)Nc1ccc2c(c1)C(=O)N(C)C1=NCCN12 CCC(CC)[*:1] CN1C(=O)c2cc(ccc2N2CCN=C12)NC(=O)[*:1]
CC(=O)NCCCCCC(=O)N(C)[C@H]1CCc2ccccc2C1 CC(=O)N[*:1] CN(C(=O)CCCCC[*:1])[C@H]1CCc2ccccc2C1
CC(=O)NCCCCCC(=O)N(C)[C@H]1CCc2ccccc2C1 CC(=O)NCC[*:1] CN(C(=O)CCC[*:1])[C@H]1CCc2ccccc2C1
CC(=O)NCCCCCC(=O)N(C)[C@H]1CCc2ccccc2C1 CC(=O)NC[*:1] CN(C(=O)CCCC[*:1])[C@H]1CCc2ccccc2C1
CC(=O)NCCCCCC(=O)N(C)[C@H]1CCc2ccccc2C1 CC(=O)NCCC[*:1] CN(C(=O)CC[*:1])[C@H]1CCc2ccccc2C1
COc1ccc(-n2nnc3c(SCC(=O)N4CCOCC4)ncnc32)cc1 O=C(C[*:1])N1CCOCC1 COc1ccc(cc1)-n1nnc2c(ncnc21)S[*:1]
COc1ccc(-n2nnc3c(SCC(=O)N4CCOCC4)ncnc32)cc1 COc1ccc(cc1)[*:1] O=C(CSc1ncnc2c1nnn2[*:1])N1CCOCC1
COc1ccc(-n2nnc3c(SCC(=O)N4CCOCC4)ncnc32)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)-n1nnc2c(ncnc21)SC[*:1]
Cc1ccc(-c2noc(CCC(=O)N[C@H](C)C3CCCCC3)n2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)CCc1nc(no1)[*:1])C1CCCCC1
Cc1ccc(-c2noc(CCC(=O)N[C@H](C)C3CCCCC3)n2)cc1F C1CCC(CC1)[*:1] Cc1ccc(cc1F)-c1noc(CCC(=O)N[C@H](C)[*:1])n1
O=C(Cc1ccc([N+](=O)[O-])cc1)N=c1[nH]c2ccccc2[nH]1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])N=c1[nH]c2ccccc2[nH]1
CN1CCC(=O)Nc2cc(C(=O)O[C@H](C#N)C3CC3)ccc21 C1CC1[*:1] CN1CCC(=O)Nc2cc(ccc21)C(=O)O[C@H](C#N)[*:1]
Cc1nc(C(C)(C)NC(=O)c2cccc(NC(=O)NC3CC3)c2)sc1C Cc1nc(sc1C)[*:1] CC(C)(NC(=O)c1cccc(c1)NC(=O)NC1CC1)[*:1]
Cc1nc(C(C)(C)NC(=O)c2cccc(NC(=O)NC3CC3)c2)sc1C C1CC1[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)c1cccc(c1)NC(=O)N[*:1]
Cc1nc(C(C)(C)NC(=O)c2cccc(NC(=O)NC3CC3)c2)sc1C O=C(NC1CC1)N[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)c1cccc(c1)[*:1]
Cc1ccc(N2C(=O)N(Cc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C1N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1ccc(N2C(=O)N(Cc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)N1C(=O)N(C[*:1])[C@H]2CS(=O)(=O)C[C@H]21
Cc1ccc(N2C(=O)N(Cc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl c1ccc(cc1)C[*:1] Cc1ccc(cc1Cl)N1C(=O)N([C@H]2CS(=O)(=O)C[C@H]21)[*:1]
O=[S@@](Cc1csc(-c2ccsc2)n1)Cc1ccccc1F Fc1ccccc1[*:1] O=[S@@](Cc1csc(n1)-c1ccsc1)C[*:1]
O=[S@@](Cc1csc(-c2ccsc2)n1)Cc1ccccc1F c1cc(cs1)[*:1] O=[S@@](Cc1csc(n1)[*:1])Cc1ccccc1F
CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=S)N1c1ccc(F)cc1 CCO[*:1] C[C@@]12C[C@@H](NC(=S)N1c1ccc(F)cc1)c1cccc(c1O2)[*:1]
CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=S)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=S)N1[*:1]
CN(C)C(=O)COc1ccccc1C[NH+]1CCC(OC2CCOCC2)CC1 C1CC(CCO1)[*:1] CN(C)C(=O)COc1ccccc1C[NH+]1CCC(CC1)O[*:1]
CN(C)C(=O)COc1ccccc1C[NH+]1CCC(OC2CCOCC2)CC1 C1CC(CCO1)O[*:1] CN(C)C(=O)COc1ccccc1C[NH+]1CCC(CC1)[*:1]
CN(C)C(=O)COc1ccccc1C[NH+]1CCC(OC2CCOCC2)CC1 CN(C)C(=O)CO[*:1] c1ccc(c(c1)C[NH+]1CCC(CC1)OC1CCOCC1)[*:1]
CN(C)C(=O)COc1ccccc1C[NH+]1CCC(OC2CCOCC2)CC1 CN(C)C(=O)[*:1] c1ccc(OC[*:1])c(c1)C[NH+]1CCC(CC1)OC1CCOCC1
CN(C)C(=O)COc1ccccc1C[NH+]1CCC(OC2CCOCC2)CC1 CN(C)C(=O)C[*:1] c1ccc(O[*:1])c(c1)C[NH+]1CCC(CC1)OC1CCOCC1
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)C1 c1cc(ccn1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)S(=O)(=O)[N-][*:1]
CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1csnn1)CC2 c1snnc1[*:1] CCOC(=O)c1[nH]c2CCC(=C[*:1])C(=O)c2c1C
CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1csnn1)CC2 CCOC(=O)[*:1] Cc1c([nH]c2CC/C(=C/c3csnn3)C(=O)c21)[*:1]
CCOc1c(Cl)cccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C CCO[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(Cl)c1[*:1]
COCCO[C@@H](C)C(=O)N1CCCc2cc(C(C)C)ccc21 COCCO[*:1] CC(C)c1ccc2c(c1)CCCN2C(=O)[C@H](C)[*:1]
COCCO[C@@H](C)C(=O)N1CCCc2cc(C(C)C)ccc21 COCCO[C@@H](C)[*:1] CC(C)c1ccc2c(c1)CCCN2C(=O)[*:1]
COCCO[C@@H](C)C(=O)N1CCCc2cc(C(C)C)ccc21 COCC[*:1] CC(C)c1ccc2c(c1)CCCN2C(=O)[C@H](C)O[*:1]
COCCO[C@@H](C)C(=O)N1CCCc2cc(C(C)C)ccc21 COC[*:1] CC(C)c1ccc2c(c1)CCCN2C(=O)[C@H](C)OC[*:1]
COCCO[C@@H](C)C(=O)N1CCCc2cc(C(C)C)ccc21 CC(C)[*:1] COCCO[C@@H](C)C(=O)N1CCCc2cc(ccc21)[*:1]
COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C COc1ccccc1[*:1] Cc1ccc(cc1C(=O)NC[*:1])S(=O)(=O)N1CCCC[C@@H]1C
COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C COc1ccccc1C[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)N1CCCC[C@@H]1C
COc1ccc2c(c1)[C@]1(CCN(C(=O)CC(C)C)C1)C(=O)N2 CC(C)C[*:1] COc1ccc2NC(=O)[C@@]3(CCN(C3)C(=O)[*:1])c2c1
COc1ccc2c(c1)[C@]1(CCN(C(=O)CC(C)C)C1)C(=O)N2 CC(C)[*:1] COc1ccc2NC(=O)[C@@]3(CCN(C3)C(=O)C[*:1])c2c1
COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-n4ccnc4C(C)C)n3)C2)cc1 COc1ccc(cc1)CC[*:1] CC(C)c1nccn1-c1cccc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-n4ccnc4C(C)C)n3)C2)cc1 COc1ccc(cc1)[*:1] CC(C)c1nccn1-c1cccc(n1)[C@H]1CCCN(C1)C(=O)CC[*:1]
COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-n4ccnc4C(C)C)n3)C2)cc1 CC(C)c1nccn1[*:1] COc1ccc(cc1)CCC(=O)N1CCC[C@@H](C1)c1cccc(n1)[*:1]
COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-n4ccnc4C(C)C)n3)C2)cc1 CC(C)[*:1] COc1ccc(cc1)CCC(=O)N1CCC[C@@H](C1)c1cccc(n1)-n1ccnc1[*:1]
COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-n4ccnc4C(C)C)n3)C2)cc1 COc1ccc(cc1)C[*:1] CC(C)c1nccn1-c1cccc(n1)[C@H]1CCCN(C1)C(=O)C[*:1]
CC/[NH+]=C(\NC[C@@H]1CC=CCC1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC/[NH+]=C(\NC[C@@H]1CC=CCC1)NC[*:1]
CC/[NH+]=C(\NC[C@@H]1CC=CCC1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC/[NH+]=C(\NC[C@@H]1CC=CCC1)N[*:1]
O=[N+]([O-])c1cccc(OCCOc2ccccc2I)c1 O=[N+]([O-])[*:1] Ic1ccccc1OCCOc1cccc(c1)[*:1]
CCOCCNC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 CCOCC[*:1] O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)N[*:1]
CCOCCNC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)C[*:1] CCOCCNC(=O)N[C@H]1CCCc2c1cnn2[*:1]
CCOCCNC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 CCOC[*:1] O=C(NC[*:1])N[C@H]1CCCc2c1cnn2Cc1ccccc1
CCOCCNC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 CCO[*:1] O=C(NCC[*:1])N[C@H]1CCCc2c1cnn2Cc1ccccc1
CCOCCNC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)[*:1] CCOCCNC(=O)N[C@H]1CCCc2c1cnn2C[*:1]
O=C(NCc1ccc(=O)[nH]c1)c1ccc(Nc2cc[nH+]cc2)cc1 O=c1ccc(c[nH]1)C[*:1] O=C(N[*:1])c1ccc(cc1)Nc1cc[nH+]cc1
O=C(NCc1ccc(=O)[nH]c1)c1ccc(Nc2cc[nH+]cc2)cc1 O=c1ccc(c[nH]1)[*:1] O=C(NC[*:1])c1ccc(cc1)Nc1cc[nH+]cc1
O=C(N1CC[C@@H](c2ccccc2)C1)C1(c2cccs2)CCCC1 c1csc(c1)[*:1] O=C(N1CC[C@H](C1)c1ccccc1)C1(CCCC1)[*:1]
O=C(N1CC[C@@H](c2ccccc2)C1)C1(c2cccs2)CCCC1 c1ccc(cc1)[*:1] O=C(N1CC[C@@H](C1)[*:1])C1(CCCC1)c1cccs1
NN1CCc2cccc(CCO)c21 OCC[*:1] NN1CCc2cccc(c21)[*:1]
COC[C@H]1CN(C(=O)c2cccc(OC)c2F)CCO1 COC[*:1] COc1cccc(C(=O)N2CCO[C@H](C2)[*:1])c1F
O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCCCOC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCCCO[*:1]
O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCCCOC1CCCCC1 C1CCC(CC1)O[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCCC[*:1]
O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCCCOC1CCCCC1 C1CCC(CC1)OC[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCC[*:1]
COc1ncnc(N)c1CN1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C Brc1ccc(cc1)[*:1] COc1ncnc(N)c1CN1CCO[C@H]([C@@H]1C)[*:1]
COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)CN(S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O)[*:1]
COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)N(CC(=O)N[*:1])S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 Cc1ccc(cc1C)NC(=O)[*:1] COc1ccc(cc1)N(C[*:1])S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
CC[C@@H](C)n1ncc(C(=O)Nc2cccc(F)c2F)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2cccc(F)c2F)c1[*:1]
NC(=O)Nc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1 NC(=O)N[*:1] FC(F)(F)c1cnc(NCc2ccc(cc2)[*:1])c(Cl)c1
NC(=O)Nc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1 FC(F)(F)[*:1] NC(=O)Nc1ccc(cc1)CNc1ncc(cc1Cl)[*:1]
O=C(Cn1cnc2c(sc3ncccc32)c1=O)NCc1cccs1 c1csc(c1)[*:1] O=C(Cn1cnc2c(sc3ncccc32)c1=O)NC[*:1]
O=C(Cn1cnc2c(sc3ncccc32)c1=O)NCc1cccs1 c1csc(c1)C[*:1] O=C(Cn1cnc2c(sc3ncccc32)c1=O)N[*:1]
C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)N(Cc1ccccc1)[*:1]
C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)C1 c1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)N(C[*:1])c1ccccc1
C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)C1 c1ccc(cc1)C[*:1] C[C@@H]1CCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)N(c1ccccc1)[*:1]
C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc3ccccc23)C1=O c1cc2OCOc2cc1[*:1] C[C@]1(NC(=O)N(Cc2cccc3ccccc23)C1=O)[*:1]
O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccc(F)cc2)CC1 Brc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCN(CC1)[*:1]
C[C@H](Nc1ccn(CCS(C)(=O)=O)n1)c1nc(C(C)(C)C)no1 CS(=O)(=O)CC[*:1] C[C@H](Nc1ccn(n1)[*:1])c1nc(no1)C(C)(C)C
C[C@H](Nc1ccn(CCS(C)(=O)=O)n1)c1nc(C(C)(C)C)no1 CS(=O)(=O)[*:1] C[C@H](Nc1ccn(CC[*:1])n1)c1nc(no1)C(C)(C)C
C[C@H](Nc1ccn(CCS(C)(=O)=O)n1)c1nc(C(C)(C)C)no1 CS(=O)(=O)C[*:1] C[C@H](Nc1ccn(C[*:1])n1)c1nc(no1)C(C)(C)C
C[C@H](Nc1ccn(CCS(C)(=O)=O)n1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](Nc1ccn(CCS(C)(=O)=O)n1)c1nc(no1)[*:1]
Cc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] O=C(CC[*:1])Nc1cc(Cl)ccc1OC[C@@H]1CCCO1
Cc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 Cc1ccc(cc1)C[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1OC[C@@H]1CCCO1
Cn1cncc1[C@@H]1CC(=O)NC(=O)[C@@H]1c1cccc(Br)c1 Cn1cncc1[*:1] O=C1C[C@H]([C@H](C(=O)N1)c1cccc(Br)c1)[*:1]
Cn1cncc1[C@@H]1CC(=O)NC(=O)[C@@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] Cn1cncc1[C@@H]1CC(=O)NC(=O)[C@H]1[*:1]
COCCN(CC(C)C)C(=O)NCc1ccc(C#N)cc1 COCC[*:1] CC(C)CN(C(=O)NCc1ccc(C#N)cc1)[*:1]
COCCN(CC(C)C)C(=O)NCc1ccc(C#N)cc1 CC(C)C[*:1] COCCN(C(=O)NCc1ccc(C#N)cc1)[*:1]
COCCN(CC(C)C)C(=O)NCc1ccc(C#N)cc1 CC(C)[*:1] COCCN(C[*:1])C(=O)NCc1ccc(C#N)cc1
COCCN(CC(C)C)C(=O)NCc1ccc(C#N)cc1 COC[*:1] CC(C)CN(C[*:1])C(=O)NCc1ccc(C#N)cc1
CC[C@H](CSC)N(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] CC[C@H](CSC)N(C)C(=O)[C@@H]1CN(CCO1)C[*:1]
CC[C@H](CSC)N(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 CSC[*:1] CC[C@H](N(C)C(=O)[C@@H]1CN(CCO1)Cc1ccccc1)[*:1]
CC[C@H](CSC)N(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] CC[C@H](CSC)N(C)C(=O)[C@@H]1CN(CCO1)[*:1]
CN(C)C(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CC(=O)N(C3CC3)C1)C2 C1CC1[*:1] CN(C)C(=O)c1cc2CN(CCc2s1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CN(C)C(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CC(=O)N(C3CC3)C1)C2 CN(C)C(=O)[*:1] O=C([C@H]1CC(=O)N(C1)C1CC1)N1CCc2sc(cc2C1)[*:1]
C[C@H](CCCl)Sc1nccn(C2CC2)c1=O C[C@H](CCCl)[*:1] O=c1c(nccn1C1CC1)S[*:1]
C[C@H](CCCl)Sc1nccn(C2CC2)c1=O C1CC1[*:1] C[C@H](CCCl)Sc1nccn(c1=O)[*:1]
C[C@H](CCCl)Sc1nccn(C2CC2)c1=O ClCC[*:1] C[C@H](Sc1nccn(c1=O)C1CC1)[*:1]
COc1cc(C)sc1C(=O)NCCNC(C)=O CC(=O)N[*:1] COc1cc(C)sc1C(=O)NCC[*:1]
COc1cc(C)sc1C(=O)NCCNC(C)=O CC(=O)NC[*:1] COc1cc(C)sc1C(=O)NC[*:1]
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] O=C(Nc1ccc(cc1)CN1CCCC1=O)c1ccnc(c1)O[*:1]
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccnc(OC2CCC2)c1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccnc(c1)OC1CCC1
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccnc(OC2CCC2)c1 O=C1CCCN1C[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccnc(c1)OC1CCC1
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] O=C(Nc1ccc(cc1)CN1CCCC1=O)c1ccnc(c1)[*:1]
O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1c1cccc(Cl)c1 Fc1cccc(c1)[*:1] O=C1C[C@H](N[*:1])C(=O)N1c1cccc(Cl)c1
O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1[*:1]
C#CCN1CCC(Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 C#CC[*:1] O=[N+]([O-])c1cc(ccc1Br)NC1CCN(CC1)[*:1]
C#CCN1CCC(Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] C#CCN1CCC(CC1)Nc1ccc(Br)c(c1)[*:1]
CCOc1ccc([C@H]2N(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1N(CCN1S(=O)(=O)[*:1])S(=O)(=O)c1ccccc1
CCOc1ccc([C@H]2N(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 CCO[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN([C@@H]1c1ccc(cc1)[*:1])S(=O)(=O)c1ccccc1
CCOc1ccc([C@H]2N(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H]1N(CCN1S(=O)(=O)[*:1])S(=O)(=O)c1ccc(C)cc1
CCOc1ccc([C@H]2N(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN([C@@H]1[*:1])S(=O)(=O)c1ccccc1
C[C@@H](CCc1cccn1C)NC(=O)c1cnc([C@@H]2CCCO2)s1 Cn1cccc1C[*:1] C[C@@H](C[*:1])NC(=O)c1cnc(s1)[C@@H]1CCCO1
C[C@@H](CCc1cccn1C)NC(=O)c1cnc([C@@H]2CCCO2)s1 Cn1cccc1[*:1] C[C@@H](CC[*:1])NC(=O)c1cnc(s1)[C@@H]1CCCO1
C[C@@H](CCc1cccn1C)NC(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] C[C@@H](CCc1cccn1C)NC(=O)c1cnc(s1)[*:1]
C[C@@H](C(=O)N(C)C1CCCC1)n1c(=O)oc2ccccc21 C1CCC(C1)[*:1] C[C@@H](C(=O)N(C)[*:1])n1c(=O)oc2ccccc21
CC(C)[C@H]([NH2+]CC(=O)N[C@@H](C)c1cc2ccccc2o1)c1cccs1 CC(C)[*:1] C[C@H](NC(=O)C[NH2+][C@H](c1cccs1)[*:1])c1cc2ccccc2o1
CC(C)[C@H]([NH2+]CC(=O)N[C@@H](C)c1cc2ccccc2o1)c1cccs1 c1csc(c1)[*:1] CC(C)[C@H]([NH2+]CC(=O)N[C@@H](C)c1cc2ccccc2o1)[*:1]
COC(=O)c1c(F)ccc(S(=O)(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1F COC(=O)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(F)c(c1F)[*:1]
CCOc1ccccc1NCc1ccccc1N(C)C1CC[NH+](C)CC1 CCO[*:1] CN(c1ccccc1CNc1ccccc1[*:1])C1CC[NH+](C)CC1
Cc1cc(F)cc(N[C@@](C)(C(=O)[O-])c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] Cc1cc(F)cc(c1)N[C@@](C)(C(=O)[O-])[*:1]
Cc1cc(F)cc(N[C@@](C)(C(=O)[O-])c2cccc(F)c2)c1 O=C([O-])[*:1] Cc1cc(F)cc(c1)N[C@@](C)(c1cccc(F)c1)[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2Cl)C[C@H]1C O=C([O-])[*:1] C[C@@H]1CN(C[C@H]1C)S(=O)(=O)c1ccc(Cl)c(c1Cl)[*:1]
Cc1ccc(NC(=O)CSc2nnc(N)n2C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)CSc1nnc(N)n1[*:1]
Cc1ccc(NC(=O)CSc2nnc(N)n2C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)n1c(N)nnc1SCC(=O)N[*:1]
Cc1nc(-c2cccc(C(=O)OC[C@H]3CC(=O)N(C4CC4)C3)c2)cs1 C1CC1[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)OC[C@H]1CC(=O)N(C1)[*:1]
Cc1nc(-c2cccc(C(=O)OC[C@H]3CC(=O)N(C4CC4)C3)c2)cs1 Cc1nc(cs1)[*:1] O=C(OC[C@H]1CC(=O)N(C1)C1CC1)c1cccc(c1)[*:1]
COC(=O)CC1(CS(=O)(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)CC1 COC(=O)C[*:1] C[C@@H]1CC[C@@H](NS(=O)(=O)CC2(CC2)[*:1])[C@H](C)C1
COC(=O)CC1(CS(=O)(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)CC1 COC(=O)[*:1] C[C@@H]1CC[C@@H](NS(=O)(=O)CC2(CC2)C[*:1])[C@H](C)C1
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)c1C O=C(NC1CCCCCC1)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C2)[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)N2CCC[C@H](C2)C(=O)NC2CCCCCC2)c(C)c1[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)c1C C1CCCC(CC1)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C2)C(=O)N[*:1])c1C
CC(C)(C)NC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 CC(C)(C)NC(=O)[*:1] O=C(COc1ccc(Br)cc1Cl)Nc1ccc(cc1)[*:1]
CC(C)(C)NC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 CC(C)(C)[*:1] O=C(COc1ccc(Br)cc1Cl)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)(C)NC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 Clc1cc(Br)ccc1[*:1] CC(C)(C)NC(=O)c1ccc(cc1)NC(=O)CO[*:1]
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cccnc3)n2)cc1C c1cncc(c1)[*:1] Cc1cc(C)c(cc1C)-c1csc(n1)NC(=O)C(C#N)=C[*:1]
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3cccnc3)n2)cc1C Cc1cc(C)c(cc1C)[*:1] N#C/C(=C\c1cccnc1)C(=O)Nc1nc(cs1)[*:1]
CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(C(C)C)nn2C)C1 CC(C)c1cc(n(C)n1)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1ccc(F)cc1
CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(C(C)C)nn2C)C1 CC(C)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)c1cc(nn1C)[*:1])Cc1ccc(F)cc1
CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(C(C)C)nn2C)C1 Fc1ccc(cc1)C[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)c1cc(nn1C)C(C)C)[*:1]
CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(C(C)C)nn2C)C1 CCOC(=O)[*:1] CC(C)c1cc(C(=O)N2CCC[C@](Cc3ccc(F)cc3)(C2)[*:1])n(C)n1
CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(C(C)C)nn2C)C1 Fc1ccc(cc1)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)c1cc(nn1C)C(C)C)C[*:1]
COC[C@@H](C)Cc1nnc(C[NH3+])o1 COC[*:1] C[C@@H](Cc1nnc(C[NH3+])o1)[*:1]
CN(Cc1ccccc1F)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 Fc1ccccc1C[*:1] CN(C(=O)Nc1cccc(c1)OC[C@@H]1CCCO1)[*:1]
CN(Cc1ccccc1F)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] CN(Cc1ccccc1F)C(=O)Nc1cccc(c1)[*:1]
CN(Cc1ccccc1F)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)OC[C@@H]1CCCO1
C[C@@H](c1ccncc1)[C@H]([NH3+])c1ccc2c(c1)CCO2 c1cc(ccn1)[*:1] C[C@@H]([C@H]([NH3+])c1ccc2OCCc2c1)[*:1]
COC1CCN(c2nc(C(C)C)c(C(=O)[O-])s2)CC1 CC(C)[*:1] COC1CCN(CC1)c1nc(c(s1)C(=O)[O-])[*:1]
COC1CCN(c2nc(C(C)C)c(C(=O)[O-])s2)CC1 O=C([O-])[*:1] COC1CCN(CC1)c1nc(c(s1)[*:1])C(C)C
Cc1nc(/C=C/C(=O)NCCCNC(=O)c2cccs2)cs1 Cc1nc(cs1)[*:1] O=C(C=C[*:1])NCCCNC(=O)c1cccs1
Cc1nc(/C=C/C(=O)NCCCNC(=O)c2cccs2)cs1 c1csc(c1)[*:1] Cc1nc(/C=C/C(=O)NCCCNC(=O)[*:1])cs1
CC(=O)c1ccc(N2CCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)CC2)c(F)c1 CC(=O)[*:1] O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCN(CC1)c1ccc(cc1F)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)CC2)c(F)c1 CC(=O)c1ccc(c(F)c1)[*:1] O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCN(CC1)[*:1]
CC(=O)N1CCC(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)c[nH+]3)CC2)CC1 C1CC1c1nc(no1)[*:1] CC(=O)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CC(=O)N1CCC(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)c[nH+]3)CC2)CC1 C1CC1[*:1] CC(=O)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
CC(=O)N1CCC(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)c[nH+]3)CC2)CC1 CC(=O)N1CCC(CC1)[*:1] O=C(N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C1CC1)[*:1]
CCOC(=O)c1cccnc1NCC(=O)NC CNC(=O)[*:1] CCOC(=O)c1cccnc1NC[*:1]
CCOC(=O)c1cccnc1NCC(=O)NC CNC(=O)C[*:1] CCOC(=O)c1cccnc1N[*:1]
CCOC(=O)c1cccnc1NCC(=O)NC CCOC(=O)[*:1] CNC(=O)CNc1ncccc1[*:1]
Clc1ccccc1OCc1nnc(SCc2ccccn2)n1C1CC1 Clc1ccccc1[*:1] c1ccc(CSc2nnc(CO[*:1])n2C2CC2)nc1
Clc1ccccc1OCc1nnc(SCc2ccccn2)n1C1CC1 Clc1ccccc1O[*:1] c1ccc(CSc2nnc(C[*:1])n2C2CC2)nc1
Clc1ccccc1OCc1nnc(SCc2ccccn2)n1C1CC1 c1ccc(CS[*:1])nc1 Clc1ccccc1OCc1nnc(n1C1CC1)[*:1]
Clc1ccccc1OCc1nnc(SCc2ccccn2)n1C1CC1 c1ccc(nc1)[*:1] Clc1ccccc1OCc1nnc(SC[*:1])n1C1CC1
Clc1ccccc1OCc1nnc(SCc2ccccn2)n1C1CC1 C1CC1[*:1] Clc1ccccc1OCc1nnc(SCc2ccccn2)n1[*:1]
Clc1ccccc1OCc1nnc(SCc2ccccn2)n1C1CC1 c1ccc(C[*:1])nc1 Clc1ccccc1OCc1nnc(S[*:1])n1C1CC1
Cc1ccc(C(=O)N2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)s1 Clc1cccc(c1)[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)C1(CC1)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)s1 Cc1ccc(s1)[*:1] O=C(N1CCN(CC1)C(=O)[*:1])C1(CC1)c1cccc(Cl)c1
C[C@H]1CC[C@@H]([NH2+]Cc2cc(C(=O)[O-])cs2)[C@@H]1C O=C([O-])[*:1] C[C@H]1CC[C@@H]([NH2+]Cc2cc(cs2)[*:1])[C@@H]1C
CCOC[C@@H]1CCN(C(=O)CCn2cnc3ccccc3c2=O)C1 CCO[*:1] O=C(CCn1cnc2ccccc2c1=O)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)CCn2cnc3ccccc3c2=O)C1 CCOC[*:1] O=C(CCn1cnc2ccccc2c1=O)N1CC[C@H](C1)[*:1]
C/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)COc1ccccc1[*:1])c1ccc2ccccc2c1
C/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 O=[N+]([O-])c1ccccc1[*:1] C/C(=N\NC(=O)CO[*:1])c1ccc2ccccc2c1
O=C(CCc1c(F)cccc1F)NNC(=O)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(CCc1c(F)cccc1F)NNC(=O)N[*:1]
O=C(CCc1c(F)cccc1F)NNC(=O)NCCc1cccs1 c1csc(c1)[*:1] O=C(CCc1c(F)cccc1F)NNC(=O)NCC[*:1]
O=C(CCc1c(F)cccc1F)NNC(=O)NCCc1cccs1 Fc1cccc(F)c1[*:1] O=C(CC[*:1])NNC(=O)NCCc1cccs1
O=C(CCc1c(F)cccc1F)NNC(=O)NCCc1cccs1 c1csc(c1)C[*:1] O=C(CCc1c(F)cccc1F)NNC(=O)NC[*:1]
CCCC[S@](=O)Cc1nc(-c2ccsc2)no1 CCCC[*:1] O=[S@](Cc1nc(no1)-c1ccsc1)[*:1]
CCCC[S@](=O)Cc1nc(-c2ccsc2)no1 CCC[*:1] O=[S@](Cc1nc(no1)-c1ccsc1)C[*:1]
CCCC[S@](=O)Cc1nc(-c2ccsc2)no1 c1cc(cs1)[*:1] CCCC[S@](=O)Cc1nc(no1)[*:1]
CSc1nnc(CNC(=O)CSc2ccccn2)n1-c1ccccc1C c1ccc(nc1)SC[*:1] CSc1nnc(CNC(=O)[*:1])n1-c1ccccc1C
CSc1nnc(CNC(=O)CSc2ccccn2)n1-c1ccccc1C c1ccc(nc1)S[*:1] CSc1nnc(CNC(=O)C[*:1])n1-c1ccccc1C
CSc1nnc(CNC(=O)CSc2ccccn2)n1-c1ccccc1C Cc1ccccc1[*:1] CSc1nnc(CNC(=O)CSc2ccccn2)n1[*:1]
CSc1nnc(CNC(=O)CSc2ccccn2)n1-c1ccccc1C c1ccc(nc1)[*:1] CSc1nnc(CNC(=O)CS[*:1])n1-c1ccccc1C
C/C(=N\Nc1nnc(SCC(=O)Nc2cccc(C)c2)n1N)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=NNc1nnc(SCC(=O)Nc2cccc(C)c2)n1N)[*:1]
C/C(=N\Nc1nnc(SCC(=O)Nc2cccc(C)c2)n1N)c1ccc(Br)cc1 Cc1cccc(c1)[*:1] C/C(=N\Nc1nnc(SCC(=O)N[*:1])n1N)c1ccc(Br)cc1
Cc1ccc2c(c1)C1(OCCO1)C(=O)N2CCBr BrCC[*:1] Cc1ccc2c(c1)C1(OCCO1)C(=O)N2[*:1]
CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl CC(C)(O)[*:1] O=C(N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)[*:1]
CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OC[*:1]
CCS(=O)(=O)c1ccccc1C(=O)/N=c1/sc2cc(OC)ccc2n1CCOC COC[*:1] CCS(=O)(=O)c1ccccc1C(=O)/N=c1/sc2cc(ccc2n1C[*:1])OC
CCS(=O)(=O)c1ccccc1C(=O)/N=c1/sc2cc(OC)ccc2n1CCOC COCC[*:1] CCS(=O)(=O)c1ccccc1C(=O)/N=c1/sc2cc(ccc2n1[*:1])OC
CCS(=O)(=O)c1ccccc1C(=O)/N=c1/sc2cc(OC)ccc2n1CCOC CCS(=O)(=O)[*:1] COCCn1/c(=N\C(=O)c2ccccc2[*:1])sc2cc(ccc21)OC
Cc1cc(C(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)[*:1]
O=C(NCc1ccccn1)c1cc(-c2cccnc2)nc2ccccc12 c1ccc(C[*:1])nc1 O=C(N[*:1])c1cc(nc2ccccc12)-c1cccnc1
O=C(NCc1ccccn1)c1cc(-c2cccnc2)nc2ccccc12 c1cncc(c1)[*:1] O=C(NCc1ccccn1)c1cc(nc2ccccc12)[*:1]
O=C(NCc1ccccn1)c1cc(-c2cccnc2)nc2ccccc12 c1ccc(nc1)[*:1] O=C(NC[*:1])c1cc(nc2ccccc12)-c1cccnc1
O=C(Nc1nc2c(s1)CN(C(=O)CCC1CCCC1)CC2)c1ccccn1 C1CCC(C1)C[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)C[*:1])c1ccccn1
O=C(Nc1nc2c(s1)CN(C(=O)CCC1CCCC1)CC2)c1ccccn1 O=C(N[*:1])c1ccccn1 O=C(CCC1CCCC1)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)CCC1CCCC1)CC2)c1ccccn1 c1ccc(nc1)[*:1] O=C(CCC1CCCC1)N1CCc2nc(NC(=O)[*:1])sc2C1
O=C(Nc1nc2c(s1)CN(C(=O)CCC1CCCC1)CC2)c1ccccn1 C1CCC(C1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)CC[*:1])c1ccccn1
O=C(Nc1nc2c(s1)CN(C(=O)CCC1CCCC1)CC2)c1ccccn1 C1CCC(C1)CC[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)[*:1])c1ccccn1
CCNC(=O)CCOc1ccc(C[NH3+])nc1 CCNC(=O)[*:1] [NH3+]Cc1ccc(cn1)OCC[*:1]
CCn1nc(C)c(CN(C)C(=O)c2cnn(C)c2C(=O)[O-])c1C O=C([O-])[*:1] CCn1nc(C)c(CN(C)C(=O)c2cnn(C)c2[*:1])c1C
Cc1c(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)sc2nc(Cc3ccccc3)[nH]c(=O)c12 c1ccc(cc1)C[*:1] Cc1c(sc2nc([nH]c(=O)c12)[*:1])C(=O)N1CCC(CC1)C(=O)Nc1ccccc1
Cc1c(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)sc2nc(Cc3ccccc3)[nH]c(=O)c12 c1ccc(cc1)[*:1] Cc1c(sc2nc(Cc3ccccc3)[nH]c(=O)c12)C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1c(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)sc2nc(Cc3ccccc3)[nH]c(=O)c12 c1ccc(cc1)[*:1] Cc1c(sc2nc(C[*:1])[nH]c(=O)c12)C(=O)N1CCC(CC1)C(=O)Nc1ccccc1
Cc1c(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)sc2nc(Cc3ccccc3)[nH]c(=O)c12 O=C(Nc1ccccc1)[*:1] Cc1c(sc2nc(Cc3ccccc3)[nH]c(=O)c12)C(=O)N1CCC(CC1)[*:1]
O=C(NCc1cccnc1OCc1ccccc1)N1CCC[C@@H](O)C1 c1ccc(cc1)[*:1] O=C(NCc1cccnc1OC[*:1])N1CCC[C@@H](O)C1
O=C(NCc1cccnc1OCc1ccccc1)N1CCC[C@@H](O)C1 c1ccc(cc1)C[*:1] O=C(NCc1cccnc1O[*:1])N1CCC[C@@H](O)C1
O=C(NCc1cccnc1OCc1ccccc1)N1CCC[C@@H](O)C1 c1ccc(cc1)CO[*:1] O=C(NCc1cccnc1[*:1])N1CCC[C@@H](O)C1
COc1ncccc1NC(=O)CSCC#N N#CCS[*:1] COc1ncccc1NC(=O)C[*:1]
COc1ncccc1NC(=O)CSCC#N N#CCSC[*:1] COc1ncccc1NC(=O)[*:1]
COc1ncccc1NC(=O)CSCC#N N#CC[*:1] COc1ncccc1NC(=O)CS[*:1]
COc1cccc2c1CC[C@@H]2[NH2+]Cc1cccn1C Cn1cccc1[*:1] COc1cccc2c1CC[C@@H]2[NH2+]C[*:1]
C[C@H](NC(=O)NCCOc1ncccc1Cl)c1ccc(Cl)s1 Clc1cccnc1[*:1] C[C@H](NC(=O)NCCO[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NCCOc1ncccc1Cl)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)NCCOc1ncccc1Cl)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 CC(C)C(=O)N[*:1] O=C(Oc1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 CC(C)[*:1] O=C(Oc1cccc(c1)[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)Oc1cccc(c1)[*:1]
CCCO[C@@H]1CC[C@]([NH2+]C2CC2)(C(N)=O)C1 CCCO[*:1] NC(=O)[C@]1(CC[C@H](C1)[*:1])[NH2+]C1CC1
CCCO[C@@H]1CC[C@]([NH2+]C2CC2)(C(N)=O)C1 CCC[*:1] NC(=O)[C@]1(CC[C@H](C1)O[*:1])[NH2+]C1CC1
CCCO[C@@H]1CC[C@]([NH2+]C2CC2)(C(N)=O)C1 C1CC1[*:1] CCCO[C@@H]1CC[C@](C1)([NH2+][*:1])C(N)=O
CCCO[C@@H]1CC[C@]([NH2+]C2CC2)(C(N)=O)C1 NC(=O)[*:1] CCCO[C@@H]1CC[C@@](C1)([NH2+]C1CC1)[*:1]
CCc1cc(CNC(=O)c2cc3ccccc3oc2=O)on1 CCc1cc(on1)[*:1] O=C(NC[*:1])c1cc2ccccc2oc1=O
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)c1ccco1 CC(C)(C)[*:1] O=C(C[C@@H]1CCCCN1C(=O)O[*:1])c1ccco1
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)c1ccco1 O=C(c1ccco1)[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1C[*:1]
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)c1ccco1 c1coc(c1)[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)[*:1]
N#Cc1cccnc1SCc1ccc(CSc2ncccc2C#N)cc1 N#Cc1cccnc1[*:1] N#Cc1cccnc1SCc1ccc(cc1)CS[*:1]
Cc1ccc(-n2nnnc2SCN2C(=O)c3ccccc3C2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1c2ccccc2C(=O)N1CSc1nnnn1[*:1]
COc1ccc(N2C(=S)N[C@H](c3cccc(F)c3)C(C(=O)N(C)C)=C2C)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)N1C(=S)N[C@@H](C(=C1C)[*:1])c1cccc(F)c1
COc1ccc(N2C(=S)N[C@H](c3cccc(F)c3)C(C(=O)N(C)C)=C2C)cc1 COc1ccc(cc1)[*:1] CC1=C(C(=O)N(C)C)[C@H](NC(=S)N1[*:1])c1cccc(F)c1
COc1ccc(N2C(=S)N[C@H](c3cccc(F)c3)C(C(=O)N(C)C)=C2C)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)N1C(=S)N[C@H](C(C(=O)N(C)C)=C1C)[*:1]
C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@@H](O)C1 Fc1ccc(cc1)[*:1] C[C@H](SCC(=O)N[*:1])C(=O)N1CCC[C@@H](O)C1
O=C(NC1CC1)C(=O)N1CCN(C(=O)CCCCc2ccc(Br)cc2)CC1 Brc1ccc(cc1)C[*:1] O=C(NC1CC1)C(=O)N1CCN(CC1)C(=O)CCC[*:1]
O=C(NC1CC1)C(=O)N1CCN(C(=O)CCCCc2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] O=C(NC1CC1)C(=O)N1CCN(CC1)C(=O)CCCC[*:1]
O=C(NC1CC1)C(=O)N1CCN(C(=O)CCCCc2ccc(Br)cc2)CC1 Brc1ccc(cc1)CC[*:1] O=C(NC1CC1)C(=O)N1CCN(CC1)C(=O)CC[*:1]
O=C(NC1CC1)C(=O)N1CCN(C(=O)CCCCc2ccc(Br)cc2)CC1 C1CC1[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)C(=O)CCCCc1ccc(Br)cc1
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c1ccccc1Br C[C@H](c1ccccc1Br)[*:1] Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[*:1]
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c1ccccc1Br CC(C)C[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1ccccc1Br)[*:1]
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c1ccccc1Br Brc1ccccc1[*:1] Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)[*:1]
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c1ccccc1Br CC(C)[*:1] Cc1ccccc1C(=O)N[C@H](C[*:1])C(=O)N[C@H](C)c1ccccc1Br
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c1ccccc1Br Cc1ccccc1[*:1] CC(C)C[C@@H](NC(=O)[*:1])C(=O)N[C@H](C)c1ccccc1Br
O=C(c1ccccn1)N1CC[C@@H](NS(=O)(=O)CC2CCC2)C1 c1ccc(nc1)[*:1] O=C(N1CC[C@H](C1)NS(=O)(=O)CC1CCC1)[*:1]
O=C(c1ccccn1)N1CC[C@@H](NS(=O)(=O)CC2CCC2)C1 C1CC(C1)[*:1] O=C(c1ccccn1)N1CC[C@H](C1)NS(=O)(=O)C[*:1]
O=C(c1ccccn1)N1CC[C@@H](NS(=O)(=O)CC2CCC2)C1 C1CC(C1)C[*:1] O=C(c1ccccn1)N1CC[C@H](C1)NS(=O)(=O)[*:1]
Cc1nn(C(C)C)cc1S(=O)(=O)Cl O=S(=O)(Cl)[*:1] Cc1nn(cc1[*:1])C(C)C
Cc1nn(C(C)C)cc1S(=O)(=O)Cl CC(C)[*:1] Cc1nn(cc1S(=O)(=O)Cl)[*:1]
Cc1ccc(C(C)C)cc1O[C@@H]1CCC(C)(C)[C@@H]1O CC(C)[*:1] Cc1ccc(cc1O[C@@H]1CCC(C)(C)[C@@H]1O)[*:1]
CC[C@H](NC(=O)CN1CCCCCC1=O)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)CN1CCCCCC1=O)[*:1]
COC(=O)c1cccc(NC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c1 C1CCN(C1)[*:1] COC(=O)c1cccc(c1)NC(=O)N[C@@H](C)c1cccc(c1)[*:1]
COC(=O)c1cccc(NC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)c1 COC(=O)[*:1] C[C@H](NC(=O)Nc1cccc(c1)[*:1])c1cccc(c1)N1CCCC1
CCCCS(=O)(=O)NC[C@@]1(O)CCOc2ccccc21 CCCC[*:1] O=S(=O)(NC[C@@]1(O)CCOc2ccccc21)[*:1]
CCCCS(=O)(=O)NC[C@@]1(O)CCOc2ccccc21 CCC[*:1] O=S(=O)(C[*:1])NC[C@@]1(O)CCOc2ccccc21
C[C@@H](Cl)CN(C)C(=O)CSc1ccccc1 C[C@@H](Cl)[*:1] CN(C[*:1])C(=O)CSc1ccccc1
C[C@@H](Cl)CN(C)C(=O)CSc1ccccc1 C[C@@H](Cl)C[*:1] CN(C(=O)CSc1ccccc1)[*:1]
CC[C@H]1Sc2ccc(S(=O)(=O)N3CCC(C(=O)[O-])CC3)cc2NC1=O O=C([O-])[*:1] CC[C@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)[*:1]
CC[C@H](c1cccs1)n1c(=S)[nH]c2c(C)nn(C)c21 c1csc(c1)[*:1] CC[C@H](n1c(=S)[nH]c2c(C)nn(C)c21)[*:1]
C[C@@H](CC1CC1)[NH2+][C@H](CO)c1cnn(C)c1 C1CC1[*:1] C[C@@H](C[*:1])[NH2+][C@H](CO)c1cnn(C)c1
C[C@@H](CC1CC1)[NH2+][C@H](CO)c1cnn(C)c1 C1CC1C[*:1] C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)[*:1]
COC(=O)[C@@H](CNC(=O)Nc1ccsc1)Oc1ccc(F)cc1 COC(=O)[*:1] O=C(NC[C@@H](Oc1ccc(F)cc1)[*:1])Nc1ccsc1
COC(=O)[C@@H](CNC(=O)Nc1ccsc1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H](CNC(=O)Nc1ccsc1)O[*:1]
COC(=O)[C@@H](CNC(=O)Nc1ccsc1)Oc1ccc(F)cc1 c1cc(cs1)[*:1] COC(=O)[C@@H](CNC(=O)N[*:1])Oc1ccc(F)cc1
Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@H](C(=O)N1CCCC1)C(C)C O=C(N1CCCC1)[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@H](C(C)C)[*:1]
Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@H](C(=O)N1CCCC1)C(C)C Cc1nn(C)c(Cl)c1[*:1] CC(C)[C@H](NC(=O)C=C[*:1])C(=O)N1CCCC1
Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@H](C(=O)N1CCCC1)C(C)C CC(C)[*:1] Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@H](C(=O)N1CCCC1)[*:1]
C=CC[C@]1(CO)CCCN(S(=O)(=O)c2ccccc2F)C1 Fc1ccccc1[*:1] C=CC[C@]1(CO)CCCN(C1)S(=O)(=O)[*:1]
C=CC[C@]1(CO)CCCN(S(=O)(=O)c2ccccc2F)C1 C=CC[*:1] O=S(=O)(c1ccccc1F)N1CCC[C@@](CO)(C1)[*:1]
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)/C=C/c1nc2ccccc2s1 COC(=O)[*:1] O=C(/C=C/c1nc2ccccc2s1)N[C@H]1CCCCC[C@H]1[*:1]
COc1cc(OCC(=O)Nc2ccccc2-c2cccs2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])OCC(=O)Nc1ccccc1-c1cccs1
COc1cc(OCC(=O)Nc2ccccc2-c2cccs2)ccc1[N+](=O)[O-] c1csc(c1)[*:1] COc1cc(ccc1[N+](=O)[O-])OCC(=O)Nc1ccccc1[*:1]
CC[C@@](C)(Nc1c([N+](=O)[O-])c(C(C)C)nn1C)C(=O)[O-] O=[N+]([O-])[*:1] CC[C@@](C)(Nc1c(c(nn1C)C(C)C)[*:1])C(=O)[O-]
CC[C@@](C)(Nc1c([N+](=O)[O-])c(C(C)C)nn1C)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(Nc1c(c(nn1C)C(C)C)[N+](=O)[O-])[*:1]
CC[C@@](C)(Nc1c([N+](=O)[O-])c(C(C)C)nn1C)C(=O)[O-] CC(C)[*:1] CC[C@@](C)(Nc1c(c(nn1C)[*:1])[N+](=O)[O-])C(=O)[O-]
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)N(c1ccccc1Cl)C(=O)N=C2[O-] CCC[*:1] CN1c2ccc(cc2C[C@@]2(C(=O)N(C(=O)N=C2[O-])c2ccccc2Cl)[C@H]1[*:1])[N+](=O)[O-]
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)N(c1ccccc1Cl)C(=O)N=C2[O-] O=[N+]([O-])[*:1] CCC[C@H]1N(C)c2ccc(cc2C[C@@]12C(=O)N(C(=O)N=C2[O-])c1ccccc1Cl)[*:1]
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)N(c1ccccc1Cl)C(=O)N=C2[O-] Clc1ccccc1[*:1] CCC[C@H]1N(C)c2ccc(cc2C[C@@]12C(=O)N(C(=O)N=C2[O-])[*:1])[N+](=O)[O-]
CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccc2ccccc2n1 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)c1ccc2ccccc2n1
CCC(CC)(NC(=O)Cc1c(F)cccc1F)/C(N)=N/O N/C(=N\O)[*:1] CCC(CC)(NC(=O)Cc1c(F)cccc1F)[*:1]
CNC(=O)c1ccccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1 CNC(=O)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccccc1[*:1]
Cc1ccccc1[C@H]1CCCN1C(=O)CCc1cccs1 Cc1ccccc1[*:1] O=C(CCc1cccs1)N1CCC[C@@H]1[*:1]
Cc1ccccc1[C@H]1CCCN1C(=O)CCc1cccs1 c1csc(c1)[*:1] Cc1ccccc1[C@H]1CCCN1C(=O)CC[*:1]
Cc1ccccc1[C@H]1CCCN1C(=O)CCc1cccs1 c1csc(c1)CC[*:1] Cc1ccccc1[C@H]1CCCN1C(=O)[*:1]
Cc1ccccc1[C@H]1CCCN1C(=O)CCc1cccs1 c1csc(c1)C[*:1] Cc1ccccc1[C@H]1CCCN1C(=O)C[*:1]
Cc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccccc4)nn23)nc1 c1ccc(cc1)[*:1] Cc1ccc(nc1)NC(=O)CCc1nnc2ccc(nn12)NC[*:1]
Cc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccccc4)nn23)nc1 c1ccc(cc1)CN[*:1] Cc1ccc(nc1)NC(=O)CCc1nnc2ccc(nn12)[*:1]
Cc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccccc4)nn23)nc1 Cc1ccc(nc1)[*:1] O=C(CCc1nnc2ccc(nn12)NCc1ccccc1)N[*:1]
Cc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccccc4)nn23)nc1 c1ccc(cc1)C[*:1] Cc1ccc(nc1)NC(=O)CCc1nnc2ccc(nn12)N[*:1]
CSCC[C@H](C)NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CSC[*:1] C[C@@H](C[*:1])NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
CSCC[C@H](C)NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CSCC[C@H](C)[*:1] O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
CSCC[C@H](C)NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CSCC[*:1] C[C@H](NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
Cc1cc([C@@H]2CCCN2Cc2nc(-c3ccsc3)no2)on1 c1cc(cs1)[*:1] Cc1cc(on1)[C@@H]1CCCN1Cc1nc(no1)[*:1]
Cc1cc([C@@H]2CCCN2Cc2nc(-c3ccsc3)no2)on1 Cc1cc(on1)[*:1] c1cc(cs1)-c1noc(CN2CCC[C@H]2[*:1])n1
O=C(Nc1ccccc1F)c1cc2c(ccc3ccccc32)o1 Fc1ccccc1[*:1] O=C(N[*:1])c1cc2c(ccc3ccccc32)o1
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1cscn1 c1nc(cs1)[*:1] Cc1cc(F)c(cc1S(=O)(=O)NC[*:1])[N+](=O)[O-]
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1cscn1 O=[N+]([O-])[*:1] Cc1cc(F)c(cc1S(=O)(=O)NCc1cscn1)[*:1]
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1cscn1 c1nc(cs1)C[*:1] Cc1cc(F)c(cc1S(=O)(=O)N[*:1])[N+](=O)[O-]
CC1(C)CC[NH+](CCS(=O)(=O)Oc2ccccc2)C1 c1ccc(cc1)[*:1] CC1(C)CC[NH+](CCS(=O)(=O)O[*:1])C1
O=C(c1cnc2ccccc2n1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cnc2ccccc2n1)N1CCC(CC1)COC[*:1]
O=C(c1cnc2ccccc2n1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cnc2ccccc2n1)N1CCC(CC1)CO[*:1]
O=C(c1cnc2ccccc2n1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)COC[*:1] O=C(c1cnc2ccccc2n1)N1CCC(CC1)[*:1]
O=C(c1cnc2ccccc2n1)N1CCC(COCc2ccccc2)CC1 c1ccc(cc1)CO[*:1] O=C(c1cnc2ccccc2n1)N1CCC(CC1)C[*:1]
CCN(C[C@H]1COc2ccccc2O1)C(=O)CCCc1nc(C)no1 Cc1noc(C[*:1])n1 CCN(C[C@H]1COc2ccccc2O1)C(=O)CC[*:1]
CCN(C[C@H]1COc2ccccc2O1)C(=O)CCCc1nc(C)no1 Cc1noc(CC[*:1])n1 CCN(C[C@H]1COc2ccccc2O1)C(=O)C[*:1]
CCN(C[C@H]1COc2ccccc2O1)C(=O)CCCc1nc(C)no1 Cc1noc(n1)[*:1] CCN(C[C@H]1COc2ccccc2O1)C(=O)CCC[*:1]
Cc1cc(C)cc(CSc2ncccc2/C(N)=N/O)c1 N/C(=N\O)[*:1] Cc1cc(C)cc(c1)CSc1ncccc1[*:1]
CC1(C)CC2=C3C(=O)N=C([N-]/N=C/c4ccco4)N=C3S[C@@H]2CS1 c1coc(c1)[*:1] CC1(C)CC2=C3C(=O)N=C(N=C3S[C@@H]2CS1)[N-]N=C[*:1]
CCCCN(C)C(=O)C1CC[NH+](C2CCC(C)CC2)CC1 CCC[*:1] CC1CCC(CC1)[NH+]1CCC(CC1)C(=O)N(C)C[*:1]
CCCCN(C)C(=O)C1CC[NH+](C2CCC(C)CC2)CC1 CC1CCC(CC1)[*:1] CCCCN(C)C(=O)C1CC[NH+](CC1)[*:1]
CCCCN(C)C(=O)C1CC[NH+](C2CCC(C)CC2)CC1 CCCC[*:1] CC1CCC(CC1)[NH+]1CCC(CC1)C(=O)N(C)[*:1]
CCNC(=O)CNC(=O)c1ccc(-n2cnc3ccccc32)cc1 CCNC(=O)[*:1] O=C(NC[*:1])c1ccc(cc1)-n1cnc2ccccc21
CCNC(=O)CNC(=O)c1ccc(-n2cnc3ccccc32)cc1 CCNC(=O)C[*:1] O=C(N[*:1])c1ccc(cc1)-n1cnc2ccccc21
Cc1cccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)n1 Cc1cccc(n1)[*:1] C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[*:1]
Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC(c3nncn3C)CC2)c1 Cc1cccc(c1)[*:1] Cn1cnnc1C1CCN(CC1)C(=O)[C@H]1C[C@H]1[*:1]
Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC(c3nncn3C)CC2)c1 Cn1cnnc1[*:1] Cc1cccc(c1)[C@@H]1C[C@@H]1C(=O)N1CCC(CC1)[*:1]
Cc1nc(S[C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)oc1C Cc1nc(oc1C)S[*:1] C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[*:1]
Cc1nc(S[C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)oc1C Cc1nc(oc1C)[*:1] C[C@H](S[*:1])C(=O)N(C)C[C@@H]1COc2ccccc2O1
O=C1Nc2c(cccc2C(F)(F)F)/C1=C/C(=O)c1ccc(Br)s1 FC(F)(F)[*:1] O=C1Nc2c(cccc2[*:1])/C1=C/C(=O)c1ccc(Br)s1
O=C1Nc2c(cccc2C(F)(F)F)/C1=C/C(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C1Nc2c(cccc2C(F)(F)F)/C1=C/C(=O)[*:1]
CCc1cc(=O)[nH]c(-c2ccc(NCCNC(=O)C(C)(C)C)nc2)n1 CC(C)(C)C(=O)N[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc(nc1)NCC[*:1]
CCc1cc(=O)[nH]c(-c2ccc(NCCNC(=O)C(C)(C)C)nc2)n1 CC(C)(C)C(=O)NC[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc(nc1)NC[*:1]
CCc1cc(=O)[nH]c(-c2ccc(NCCNC(=O)C(C)(C)C)nc2)n1 CC(C)(C)[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc(nc1)NCCNC(=O)[*:1]
CCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(NC(C)=O)cc2)cc1 CCOc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@H]1CCCN1C(=O)N[*:1]
CCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(NC(C)=O)cc2)cc1 CCO[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(NC(C)=O)cc2)cc1 CC(=O)N[*:1] CCOc1ccc(cc1)NC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(NC(C)=O)cc2)cc1 CC(=O)Nc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)N1CCC[C@@H]1C(=O)N[*:1]
O=C(OC[C@@H]1CCCCO1)c1csc([N+](=O)[O-])c1 C1CC[C@H](OC1)[*:1] O=C(OC[*:1])c1csc(c1)[N+](=O)[O-]
O=C(OC[C@@H]1CCCCO1)c1csc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(OC[C@@H]1CCCCO1)c1csc(c1)[*:1]
Cn1cnn(-c2ccc(NC(=O)N[C@@H]3COc4ccccc43)cc2)c1=O Cn1cnn(c1=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1COc2ccccc21
O=C(c1ccncc1)N1CCN(CCOc2ccc3ccccc3c2)CC1 c1cc(ccn1)[*:1] O=C(N1CCN(CCOc2ccc3ccccc3c2)CC1)[*:1]
CCC[C@H]1CN(C(=O)Cc2ccccc2F)CCO1 CCC[*:1] O=C(Cc1ccccc1F)N1CCO[C@H](C1)[*:1]
CSc1ccc2nc(N3CCN(S(=O)(=O)c4cccs4)CC3)sc2c1 c1csc(c1)[*:1] CSc1ccc2nc(sc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H]1S[C@H](c2ccccc2)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] C[C@@H]1S[C@H](c2ccccc2)N(C[C@H](O)c2ccc(cc2)[*:1])C1=O
C[C@@H]1S[C@H](c2ccccc2)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O c1ccc(cc1)[*:1] C[C@@H]1S[C@H](N(C[C@H](O)c2ccc(cc2)[N+](=O)[O-])C1=O)[*:1]
CSc1ccc(Cl)cc1NC(=O)[C@H](C)OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CSc1ccc(Cl)cc1NC(=O)[C@H](C)OC[*:1]
CSc1ccc(Cl)cc1NC(=O)[C@H](C)OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CSc1ccc(Cl)cc1NC(=O)[C@H](C)O[*:1]
CSc1ccc(Cl)cc1NC(=O)[C@H](C)OC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] CSc1ccc(Cl)cc1NC(=O)[C@H](C)[*:1]
Cn1c(C[C@H](O)Cc2ccccc2F)nc2ccccc21 Fc1ccccc1[*:1] Cn1c(C[C@H](O)C[*:1])nc2ccccc21
COc1cc([N+](=O)[O-])ccc1N[C@H]1c2ncccc2C(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cc(ccc1N[C@H]1c2ncccc2C(=O)N1C[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1N[C@H]1c2ncccc2C(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COc1cc(ccc1N[C@H]1c2ncccc2C(=O)N1[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1N[C@H]1c2ncccc2C(=O)N1Cc1ccc(F)cc1 O=[N+]([O-])[*:1] COc1cc(ccc1N[C@H]1c2ncccc2C(=O)N1Cc1ccc(F)cc1)[*:1]
CC(C)NC(=O)NC(=O)CN1CCN(c2ccccc2F)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)c1ccccc1F)NC(=O)N[*:1]
CC(C)NC(=O)NC(=O)CN1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] CC(C)NC(=O)NC(=O)CN1CCN(CC1)[*:1]
O[C@@H](c1ccccc1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F c1ccc(cc1)[*:1] O[C@@H](C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F)[*:1]
Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N[C@H](Cc5ccccc5)C(=O)[O-])c(C)c4cc23)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(=O)N[C@H](C[*:1])C(=O)[O-])c(C)c3cc12
Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N[C@H](Cc5ccccc5)C(=O)[O-])c(C)c4cc23)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(=O)N[C@H](Cc4ccccc4)[*:1])c(C)c3cc12
Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N[C@H](Cc5ccccc5)C(=O)[O-])c(C)c4cc23)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(=O)N[C@H](C(=O)[O-])[*:1])c(C)c3cc12
Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N[C@H](Cc5ccccc5)C(=O)[O-])c(C)c4cc23)cc1 Cc1ccc(cc1)[*:1] Cc1c(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(=O)oc2cc3occ(c3cc12)[*:1]
Cc1nnc(NC(=O)c2ccc(C)c(N3C(=O)c4ccccc4C3=O)c2)s1 Cc1nnc(NC(=O)[*:1])s1 Cc1ccc(cc1N1C(=O)c2ccccc2C1=O)[*:1]
Cc1nnc(NC(=O)c2ccc(C)c(N3C(=O)c4ccccc4C3=O)c2)s1 Cc1nnc(s1)[*:1] Cc1ccc(cc1N1C(=O)c2ccccc2C1=O)C(=O)N[*:1]
COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(C)=O)c2)C1 CC(=O)N[*:1] COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(C)=O)c2)C1 COc1ccc(C)cc1[*:1] CC(=O)Nc1cccc(c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CC(C)N(Cc1ccccc1)C(=O)C[NH2+]C1(c2nccs2)CCCC1 CC(C)[*:1] O=C(C[NH2+]C1(CCCC1)c1nccs1)N(Cc1ccccc1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)C[NH2+]C1(c2nccs2)CCCC1 c1csc(n1)[*:1] CC(C)N(Cc1ccccc1)C(=O)C[NH2+]C1(CCCC1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)C[NH2+]C1(c2nccs2)CCCC1 c1ccc(cc1)C[*:1] CC(C)N(C(=O)C[NH2+]C1(CCCC1)c1nccs1)[*:1]
CC(C)N(Cc1ccccc1)C(=O)C[NH2+]C1(c2nccs2)CCCC1 c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)C[NH2+]C1(CCCC1)c1nccs1
CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCS1(=O)=O O=[N+]([O-])[*:1] CC1(C)CN(CCS1(=O)=O)Cc1ccc(s1)-c1ccc(cc1)[*:1]
CC(C)C[C@H](C)[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 CC(C)[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)c1cccc(c1)-n1cnnn1
CC(C)C[C@H](C)[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 CC(C)C[*:1] C[C@H]([NH2+][C@H](C)c1cccc(c1)-n1cnnn1)[*:1]
CC(C)C[C@H](C)[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] CC(C)C[C@H](C)[NH2+][C@H](C)c1cccc(c1)[*:1]
Cc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)c(F)c1 Clc1ccc(s1)[*:1] Cc1ccc(C(=O)N[C@H](C)[*:1])c(F)c1
O=C(/C=C/c1cccs1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 Clc1ccc(cc1)C[*:1] O=C(/C=C/c1cccs1)N(C[C@@H]1CCCO1)[*:1]
O=C(/C=C/c1cccs1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 C(=C[*:1])c1cccs1 O=C(N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1)[*:1]
O=C(/C=C/c1cccs1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(/C=C/c1cccs1)N(Cc1ccc(Cl)cc1)[*:1]
O=C(/C=C/c1cccs1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 c1csc(c1)[*:1] O=C(C=C[*:1])N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1
O=C(/C=C/c1cccs1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] O=C(/C=C/c1cccs1)N(C[C@@H]1CCCO1)C[*:1]
CC[C@H](C)n1ncc(C(=O)N(C)Cc2c(C)noc2C)c1C1CC1 Cc1noc(C)c1C[*:1] CC[C@H](C)n1ncc(C(=O)N(C)[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)N(C)Cc2c(C)noc2C)c1C1CC1 Cc1noc(C)c1[*:1] CC[C@H](C)n1ncc(C(=O)N(C)C[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)N(C)Cc2c(C)noc2C)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)N(C)Cc2c(C)noc2C)c1[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] CNC(=O)c1cc(C)ccc1NC(=O)[C@H]1C[C@@H]1[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl CNC(=O)[*:1] Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c(c1)[*:1]
O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 Fc1cccc(c1)[*:1] O=C(c1ccc(Cl)c(Cl)c1)N1CCN(CC1)C(=O)[*:1]
O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 Clc1ccc(cc1Cl)[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1C C1CCC(CC1)[*:1] COc1ccc(cc1C)S(=O)(=O)N(C)CC(=O)N[*:1]
CCCn1ncnc1C[C@@H](O)c1ccccc1C1CC1 C1CC1[*:1] CCCn1ncnc1C[C@@H](O)c1ccccc1[*:1]
CCCn1ncnc1C[C@@H](O)c1ccccc1C1CC1 CCC[*:1] O[C@H](Cc1ncnn1[*:1])c1ccccc1C1CC1
Cc1cc(COC(=O)C2=NN(c3ccccc3)C(=O)CC2)no1 Cc1cc(C[*:1])no1 O=C(O[*:1])C1CCC(=O)N(N=1)c1ccccc1
Cc1cc(COC(=O)C2=NN(c3ccccc3)C(=O)CC2)no1 Cc1cc(no1)[*:1] O=C(OC[*:1])C1CCC(=O)N(N=1)c1ccccc1
Cc1cc(COC(=O)C2=NN(c3ccccc3)C(=O)CC2)no1 c1ccc(cc1)[*:1] Cc1cc(COC(=O)C2CCC(=O)N(N=2)[*:1])no1
CCCCNC(=O)c1ccc(CNC(=O)c2occc2C)cc1 CCCCNC(=O)[*:1] Cc1ccoc1C(=O)NCc1ccc(cc1)[*:1]
CCCCNC(=O)c1ccc(CNC(=O)c2occc2C)cc1 Cc1ccoc1[*:1] CCCCNC(=O)c1ccc(cc1)CNC(=O)[*:1]
CCCCNC(=O)c1ccc(CNC(=O)c2occc2C)cc1 CCCC[*:1] Cc1ccoc1C(=O)NCc1ccc(cc1)C(=O)N[*:1]
CCCCNC(=O)c1ccc(CNC(=O)c2occc2C)cc1 CCC[*:1] Cc1ccoc1C(=O)NCc1ccc(cc1)C(=O)NC[*:1]
O=C(NCCCC1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 C1CCC(C1)CC[*:1] O=C(NC[*:1])c1cc(c[nH]1)S(=O)(=O)N1CCOCC1
O=C(NCCCC1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 C1CCC(C1)C[*:1] O=C(NCC[*:1])c1cc(c[nH]1)S(=O)(=O)N1CCOCC1
O=C(NCCCC1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 C1CCC(C1)CCC[*:1] O=C(N[*:1])c1cc(c[nH]1)S(=O)(=O)N1CCOCC1
O=C(NCCCC1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 C1CCC(C1)[*:1] O=C(NCCC[*:1])c1cc(c[nH]1)S(=O)(=O)N1CCOCC1
CCc1nnc(NC(=O)c2cc(-c3ccco3)cs2)s1 c1coc(c1)[*:1] CCc1nnc(NC(=O)c2cc(cs2)[*:1])s1
O=S(=O)(CCC1CC1)Oc1cccc(Br)c1 C1CC1[*:1] O=S(=O)(CC[*:1])Oc1cccc(Br)c1
O=S(=O)(CCC1CC1)Oc1cccc(Br)c1 C1CC1C[*:1] O=S(=O)(C[*:1])Oc1cccc(Br)c1
O=S(=O)(CCC1CC1)Oc1cccc(Br)c1 C1CC1CC[*:1] O=S(=O)(Oc1cccc(Br)c1)[*:1]
CCOC(=O)NCCC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 c1ccc(cc1)[*:1] CCOC(=O)NCCC(=O)N1C[C@H](O[C@H](C)C1)[*:1]
CCOC(=O)NCCC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 CCOC(=O)N[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)CC[*:1]
CCOC(=O)NCCC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 CCOC(=O)NC[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)C[*:1]
CC1=C[C@H](C(=O)N/N=C/c2ccc(C(=O)[O-])cc2)N=N1 O=C([O-])[*:1] CC1=C[C@@H](N=N1)C(=O)N/N=C/c1ccc(cc1)[*:1]
CC1(C)CC(/N=C/C2C(=O)CC(c3ccccc3)CC2=O)CC(C)(C)[NH2+]1 c1ccc(cc1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)/N=C/C1C(=O)CC(CC1=O)[*:1]
C[C@H](NC(=O)Nc1ccc2c(c1)OC(C)(C)O2)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](NC(=O)Nc1ccc2OC(C)(C)Oc2c1)[*:1]
C[C@H](NC(=O)Nc1ccc2c(c1)OC(C)(C)O2)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)Nc1ccc2OC(C)(C)Oc2c1)C(=O)N[*:1]
O=C(CSc1ccccn1)Nc1ccc(I)cn1 c1ccc(nc1)[*:1] O=C(CS[*:1])Nc1ccc(I)cn1
CN(C(=O)/C=C/c1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 c1cc(ccn1)[*:1] CN(C(=O)/C=C/c1ccccc1)C1CC[NH+](CC1)C[*:1]
CN(C(=O)/C=C/c1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 C(=C[*:1])c1ccccc1 CN(C(=O)[*:1])C1CC[NH+](CC1)Cc1ccncc1
CN(C(=O)/C=C/c1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] CN(C(=O)/C=C/c1ccccc1)C1CC[NH+](CC1)[*:1]
CN(C(=O)/C=C/c1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 c1ccc(cc1)[*:1] CN(C(=O)C=C[*:1])C1CC[NH+](CC1)Cc1ccncc1
CC(=O)c1ccc(S(=O)(=O)N2CCC(Cn3cnc4cc(C)c(C)cc43)CC2)cc1 CC(=O)[*:1] Cc1cc2ncn(CC3CCN(CC3)S(=O)(=O)c3ccc(cc3)[*:1])c2cc1C
CC(=O)c1ccc(S(=O)(=O)N2CCC(Cn3cnc4cc(C)c(C)cc43)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1cc2ncn(CC3CCN(CC3)S(=O)(=O)[*:1])c2cc1C
C[C@@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](CNC(=O)N1CC[C@](O)(C1)C(F)(F)F)[*:1]
C[C@@H](CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(F)c(F)c1 FC(F)(F)[*:1] C[C@@H](CNC(=O)N1CC[C@@](O)(C1)[*:1])c1ccc(F)c(F)c1
CCc1nc(-c2ccncc2)nc(N2CC[C@@H]([NH3+])C2)c1C c1cc(ccn1)[*:1] CCc1nc(nc(c1C)N1CC[C@@H]([NH3+])C1)[*:1]
CC(C)N(C(=O)c1csc(-c2ccco2)n1)C1CCOCC1 c1coc(c1)[*:1] CC(C)N(C(=O)c1csc(n1)[*:1])C1CCOCC1
CC(C)N(C(=O)c1csc(-c2ccco2)n1)C1CCOCC1 C1CC(CCO1)[*:1] CC(C)N(C(=O)c1csc(n1)-c1ccco1)[*:1]
CC(C)N(C(=O)c1csc(-c2ccco2)n1)C1CCOCC1 CC(C)[*:1] O=C(c1csc(n1)-c1ccco1)N(C1CCOCC1)[*:1]
CCc1nn(C)cc1CNC(=O)c1cccc(NC(=O)OC)c1 COC(=O)N[*:1] CCc1nn(C)cc1CNC(=O)c1cccc(c1)[*:1]
COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 COc1ccccc1[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CS(=O)(=O)Nc1ccc(NC(=O)/C=C/c2ccco2)cc1Cl C(=C[*:1])c1ccco1 CS(=O)(=O)Nc1ccc(cc1Cl)NC(=O)[*:1]
CS(=O)(=O)Nc1ccc(NC(=O)/C=C/c2ccco2)cc1Cl CS(=O)(=O)N[*:1] O=C(/C=C/c1ccco1)Nc1ccc(c(Cl)c1)[*:1]
CS(=O)(=O)Nc1ccc(NC(=O)/C=C/c2ccco2)cc1Cl c1coc(c1)[*:1] CS(=O)(=O)Nc1ccc(cc1Cl)NC(=O)C=C[*:1]
CC(=O)N1CCc2c(sc3nc(N)c(C(=O)Nc4ccc(F)cc4)c(C(F)(F)F)c23)C1 O=C(Nc1ccc(F)cc1)[*:1] CC(=O)N1CCc2c(C1)sc1nc(N)c(c(c21)C(F)(F)F)[*:1]
CC(=O)N1CCc2c(sc3nc(N)c(C(=O)Nc4ccc(F)cc4)c(C(F)(F)F)c23)C1 FC(F)(F)[*:1] CC(=O)N1CCc2c(C1)sc1nc(N)c(C(=O)Nc3ccc(F)cc3)c(c21)[*:1]
CC(=O)N1CCc2c(sc3nc(N)c(C(=O)Nc4ccc(F)cc4)c(C(F)(F)F)c23)C1 Fc1ccc(cc1)[*:1] CC(=O)N1CCc2c(C1)sc1nc(N)c(C(=O)N[*:1])c(c21)C(F)(F)F
C[C@H](CCc1cccn1C)NC(=O)c1occc1Br Brc1ccoc1[*:1] C[C@H](CCc1cccn1C)NC(=O)[*:1]
C[C@H](CCc1cccn1C)NC(=O)c1occc1Br Cn1cccc1[*:1] C[C@H](CC[*:1])NC(=O)c1occc1Br
OCCCCC[NH+]1CCN(c2ccccc2)CC1 OCCC[*:1] c1ccc(cc1)N1CC[NH+](CC1)CC[*:1]
OCCCCC[NH+]1CCN(c2ccccc2)CC1 OCC[*:1] c1ccc(cc1)N1CC[NH+](CCC[*:1])CC1
OCCCCC[NH+]1CCN(c2ccccc2)CC1 OCCCC[*:1] c1ccc(cc1)N1CC[NH+](CC1)C[*:1]
OCCCCC[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] OCCCCC[NH+]1CCN(CC1)[*:1]
OCCCCC[NH+]1CCN(c2ccccc2)CC1 OCCCCC[*:1] c1ccc(cc1)N1CC[NH+](CC1)[*:1]
COC(=O)CNC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] COC(=O)CNC(=O)N[C@H]1CCCCC[C@H]1[*:1]
COC(=O)CNC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] COC(=O)[*:1] O=C(NC[*:1])N[C@H]1CCCCC[C@@H]1C(=O)[O-]
COC(=O)CNC(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] COC(=O)C[*:1] O=C(N[C@H]1CCCCC[C@@H]1C(=O)[O-])N[*:1]
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(-c4ccccc4)[nH]c3=O)cc2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(cc2)CNC(=O)c2ccc([nH]c2=O)[*:1])C1
CCC[C@@H](C(=O)OC)[NH+]1CCN(C)CC1 CCC[*:1] COC(=O)[C@@H]([NH+]1CCN(C)CC1)[*:1]
CCC[C@@H](C(=O)OC)[NH+]1CCN(C)CC1 COC(=O)[*:1] CCC[C@@H]([NH+]1CCN(C)CC1)[*:1]
COc1cccc(OC[C@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)c1 Clc1cnn(c1)C[*:1] COc1cccc(c1)OC[C@H]1CCCN(C1)C(=O)[*:1]
COc1cccc(OC[C@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)c1 COc1cccc(c1)[*:1] O=C(Cn1cc(Cl)cn1)N1CCC[C@H](CO[*:1])C1
COc1cccc(OC[C@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)c1 Clc1cnn(c1)[*:1] COc1cccc(c1)OC[C@H]1CCCN(C1)C(=O)C[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)C1 CCOC(=O)[*:1] CC[S@](=O)[C@H]1CCC[C@H](C1)NC(=O)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)C1 CC[S@](=O)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CC(C)(CO)CCCNC(=O)N1CCN(c2ccc(F)cc2)CC1 CC(C)(CO)[*:1] O=C(NCCC[*:1])N1CCN(CC1)c1ccc(F)cc1
CC(C)(CO)CCCNC(=O)N1CCN(c2ccc(F)cc2)CC1 CC(C)(CO)CC[*:1] O=C(NC[*:1])N1CCN(CC1)c1ccc(F)cc1
CC(C)(CO)CCCNC(=O)N1CCN(c2ccc(F)cc2)CC1 CC(C)(CO)CCC[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(F)cc1
CC(C)(CO)CCCNC(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)(CO)CCCNC(=O)N1CCN(CC1)[*:1]
CC(C)(CO)CCCNC(=O)N1CCN(c2ccc(F)cc2)CC1 CC(C)(CO)C[*:1] O=C(NCC[*:1])N1CCN(CC1)c1ccc(F)cc1
COc1ccc2cc(CN3C[C@@H](C)O[C@@H](C(N)=O)C3)ccc2c1 NC(=O)[*:1] COc1ccc2cc(ccc2c1)CN1C[C@@H](C)O[C@@H](C1)[*:1]
Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)c1cnn(c1NC(=O)c1ccccc1F)[*:1]
Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1cccc(c1)NC(=O)c1cnn(-c2ccccc2)c1NC(=O)[*:1]
Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)c1 O=C(N[*:1])c1ccccc1F Cc1cccc(c1)NC(=O)c1cnn(-c2ccccc2)c1[*:1]
Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)c1 Cc1cccc(c1)NC(=O)[*:1] O=C(Nc1c(cnn1-c1ccccc1)[*:1])c1ccccc1F
Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)c1 Cc1cccc(c1)[*:1] O=C(Nc1c(cnn1-c1ccccc1)C(=O)N[*:1])c1ccccc1F
CCOc1ccc(-n2c(-c3ccccc3)cnc2S[C@H]2CCOC2=O)cc1 CCO[*:1] O=C1OCC[C@@H]1Sc1ncc(-c2ccccc2)n1-c1ccc(cc1)[*:1]
CCOc1ccc(-n2c(-c3ccccc3)cnc2S[C@H]2CCOC2=O)cc1 CCOc1ccc(cc1)[*:1] O=C1OCC[C@@H]1Sc1ncc(-c2ccccc2)n1[*:1]
CCOc1ccc(-n2c(-c3ccccc3)cnc2S[C@H]2CCOC2=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1c(cnc1S[C@H]1CCOC1=O)[*:1]
CC(C)(C)c1csc(C[C@]2(O)CCC[C@@H]2S(C)(=O)=O)n1 CC(C)(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@@]1(O)Cc1nc(cs1)[*:1]
CC(C)(C)c1csc(C[C@]2(O)CCC[C@@H]2S(C)(=O)=O)n1 CS(=O)(=O)[*:1] CC(C)(C)c1csc(C[C@]2(O)CCC[C@H]2[*:1])n1
O[C@H](CN1CCOCC1)Cn1cnc2ccccc21 C1CN(CCO1)[*:1] O[C@@H](Cn1cnc2ccccc21)C[*:1]
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccccc1F Fc1ccccc1[*:1] O=C(CNc1ccc2ccccc2c1)NN=C[*:1]
COC(=O)CN(CC#N)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 COC(=O)[*:1] C[NH+]1CCN(CC1)Cc1cccc(c1)C(=O)N(CC#N)C[*:1]
COC(=O)CN(CC#N)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 COC(=O)C[*:1] C[NH+]1CCN(CC1)Cc1cccc(c1)C(=O)N(CC#N)[*:1]
COC(=O)CN(CC#N)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 N#CC[*:1] COC(=O)CN(C(=O)c1cccc(c1)CN1CC[NH+](C)CC1)[*:1]
O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(Cn1nc(ccc1=O)-c1ccc(F)cc1)Nc1ccc(cc1)[*:1]
O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1ccc(cc1)Oc1ccccc1
O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccc(F)cc1)Nc1ccc(cc1)O[*:1]
COc1ccc([C@H]2[C@@H](C(=O)OCc3nccn3C)CCC(=O)N2C)cc1 Cn1ccnc1C[*:1] COc1ccc(cc1)[C@H]1[C@H](CCC(=O)N1C)C(=O)O[*:1]
COc1ccc([C@H]2[C@@H](C(=O)OCc3nccn3C)CCC(=O)N2C)cc1 Cn1ccnc1[*:1] COc1ccc(cc1)[C@H]1[C@H](CCC(=O)N1C)C(=O)OC[*:1]
COc1ccc([C@H]2[C@@H](C(=O)OCc3nccn3C)CCC(=O)N2C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)CC[C@H](C(=O)OCc2nccn2C)[C@@H]1[*:1]
Cc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1cccc(NC(=O)N2CC[C@@H](C2)C[NH+]2CCCC2)c1[*:1]
Nc1ccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] c1ccc(cc1)C[*:1] Nc1ccc(cc1[N+](=O)[O-])C(=O)OCC(=O)N1CCC(CC1)[*:1]
Nc1ccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ccc(cc1[*:1])C(=O)OCC(=O)N1CCC(CC1)Cc1ccccc1
Nc1ccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Nc1ccc(cc1[N+](=O)[O-])C(=O)OCC(=O)N1CCC(CC1)C[*:1]
CC(C)CC(=O)Nc1cccc(CNC(=O)N[C@@H]2C[C@H]2C)c1 CC(C)CC(=O)N[*:1] C[C@@H]1C[C@H]1NC(=O)NCc1cccc(c1)[*:1]
CC(C)CC(=O)Nc1cccc(CNC(=O)N[C@@H]2C[C@H]2C)c1 CC(C)C[*:1] C[C@@H]1C[C@H]1NC(=O)NCc1cccc(c1)NC(=O)[*:1]
CC(C)CC(=O)Nc1cccc(CNC(=O)N[C@@H]2C[C@H]2C)c1 CC(C)[*:1] C[C@@H]1C[C@H]1NC(=O)NCc1cccc(c1)NC(=O)C[*:1]
COc1ccc(CNc2nc[nH+]c3nc(N)ccc23)c(OC2CCCC2)c1 C1CCC(C1)O[*:1] COc1ccc(CNc2nc[nH+]c3nc(N)ccc23)c(c1)[*:1]
COc1ccc(CNc2nc[nH+]c3nc(N)ccc23)c(OC2CCCC2)c1 C1CCC(C1)[*:1] COc1ccc(CNc2nc[nH+]c3nc(N)ccc23)c(c1)O[*:1]
CCc1nnc2n1CC[NH+](CCCc1nnnn1-c1ccccc1)C2 c1ccc(cc1)[*:1] CCc1nnc2C[NH+](CCCc3nnnn3[*:1])CCn12
Cc1ccccc1OCC(=O)N1CCC[C@@H]1C(N)=O NC(=O)[*:1] Cc1ccccc1OCC(=O)N1CCC[C@H]1[*:1]
CCOC(=O)C1CCC(Nc2ccc(C)c(NC(C)=O)c2)CC1 CC(=O)N[*:1] CCOC(=O)C1CCC(CC1)Nc1ccc(C)c(c1)[*:1]
CCOC(=O)C1CCC(Nc2ccc(C)c(NC(C)=O)c2)CC1 CCOC(=O)[*:1] CC(=O)Nc1cc(ccc1C)NC1CCC(CC1)[*:1]
Cn1cc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cn1 Cn1cc(cn1)CC[*:1] O=C(N[*:1])[C@H]1CCCN1S(=O)(=O)c1cccs1
Cn1cc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cn1 Cn1cc(cn1)[*:1] O=C(NCC[*:1])[C@H]1CCCN1S(=O)(=O)c1cccs1
Cn1cc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cn1 c1csc(c1)[*:1] Cn1cc(cn1)CCNC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
Cn1cc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cn1 Cn1cc(cn1)C[*:1] O=C(NC[*:1])[C@H]1CCCN1S(=O)(=O)c1cccs1
CCCc1ccc([C@]2(C)O[C@@]2(CC)C(=O)OCC)cc1 CCOC(=O)[*:1] CCCc1ccc(cc1)[C@]1(C)O[C@]1(CC)[*:1]
CCCc1ccc([C@]2(C)O[C@@]2(CC)C(=O)OCC)cc1 CCC[*:1] CCOC(=O)[C@]1(CC)O[C@@]1(C)c1ccc(cc1)[*:1]
Cc1n[nH]cc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 Cc1n[nH]cc1[*:1] Fc1ccc2OCCC[C@@H]([NH2+]C[*:1])c2c1
CNC(=O)c1cccc(NC(=O)[C@H](C)S[C@@H](C)C(C)C)c1 CNC(=O)[*:1] CC(C)[C@H](C)S[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
CNC(=O)c1cccc(NC(=O)[C@H](C)S[C@@H](C)C(C)C)c1 CC(C)[*:1] CNC(=O)c1cccc(c1)NC(=O)[C@H](C)S[C@@H](C)[*:1]
Fc1ccc(OC[C@H]2CCCO2)c(NCc2noc(-c3ccoc3)n2)c1 C1CO[C@H](C1)CO[*:1] Fc1ccc(c(c1)NCc1noc(n1)-c1ccoc1)[*:1]
Fc1ccc(OC[C@H]2CCCO2)c(NCc2noc(-c3ccoc3)n2)c1 C1CO[C@H](C1)C[*:1] Fc1ccc(O[*:1])c(c1)NCc1noc(n1)-c1ccoc1
Fc1ccc(OC[C@H]2CCCO2)c(NCc2noc(-c3ccoc3)n2)c1 c1cc(co1)[*:1] Fc1ccc(OC[C@H]2CCCO2)c(c1)NCc1noc(n1)[*:1]
Fc1ccc(OC[C@H]2CCCO2)c(NCc2noc(-c3ccoc3)n2)c1 C1CO[C@H](C1)[*:1] Fc1ccc(OC[*:1])c(c1)NCc1noc(n1)-c1ccoc1
CC(=O)c1cc(C)cc([N+](=O)[O-])c1[O-] CC(=O)[*:1] Cc1cc(c([O-])c(c1)[*:1])[N+](=O)[O-]
CC(=O)c1cc(C)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] CC(=O)c1cc(C)cc(c1[O-])[*:1]
Cc1ncc([C@@H](C)NCc2ccc(Cl)cc2Cl)s1 Cc1ncc(s1)[*:1] C[C@@H](NCc1ccc(Cl)cc1Cl)[*:1]
CC(C)(O)CN1CCN(CCO)CC1 CC(C)(O)[*:1] OCCN1CCN(CC1)C[*:1]
CC(C)(O)CN1CCN(CCO)CC1 OCC[*:1] CC(C)(O)CN1CCN(CC1)[*:1]
CC(=O)Nc1cc(NC(=O)C(=O)N2CCc3cc(F)ccc3C2)c(F)cc1F CC(=O)N[*:1] O=C(Nc1cc(c(F)cc1F)[*:1])C(=O)N1CCc2cc(F)ccc2C1
O=C(Nc1cncc2ccccc12)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(Nc1cncc2ccccc12)N(C[*:1])C1CC1
O=C(Nc1cncc2ccccc12)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(Nc1cncc2ccccc12)N(Cc1ccccc1)[*:1]
O=C(Nc1cncc2ccccc12)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C(Nc1cncc2ccccc12)N(C1CC1)[*:1]
O=C(NCc1n[nH]c(=O)[nH]1)c1cccnc1OCC(F)F FC(F)CO[*:1] O=C(NCc1n[nH]c(=O)[nH]1)c1cccnc1[*:1]
O=C(NCc1n[nH]c(=O)[nH]1)c1cccnc1OCC(F)F O=c1[nH]nc(C[*:1])[nH]1 O=C(N[*:1])c1cccnc1OCC(F)F
O=C(NCc1n[nH]c(=O)[nH]1)c1cccnc1OCC(F)F FC(F)[*:1] O=C(NCc1n[nH]c(=O)[nH]1)c1cccnc1OC[*:1]
O=C(NCc1n[nH]c(=O)[nH]1)c1cccnc1OCC(F)F FC(F)C[*:1] O=C(NCc1n[nH]c(=O)[nH]1)c1cccnc1O[*:1]
O=C(NCc1n[nH]c(=O)[nH]1)c1cccnc1OCC(F)F O=c1[nH]nc([nH]1)[*:1] O=C(NC[*:1])c1cccnc1OCC(F)F
C[C@H](C[NH2+]C1CC1)[C@@H](C)n1cccn1 C1CC1[*:1] C[C@H](C[NH2+][*:1])[C@@H](C)n1cccn1
CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1 CC(=O)N[C@@H](C)[*:1] CC(C)(C)c1csc(n1)[C@@H]1CCCCN1C(=O)[*:1]
CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1nc(cs1)[*:1]
CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1 CC(=O)N[*:1] C[C@@H](C(=O)N1CCCC[C@H]1c1nc(cs1)C(C)(C)C)[*:1]
COc1ccccc1-c1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1 C1CN(CCO1)[*:1] COc1ccccc1-c1ccc(cc1)CN1CC[C@@H](C1)C[*:1]
COc1ccccc1-c1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1 C1CN(CCO1)C[*:1] COc1ccccc1-c1ccc(cc1)CN1CC[C@H](C1)[*:1]
COc1ccccc1-c1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1 COc1ccccc1[*:1] c1cc(ccc1CN1CC[C@H](CN2CCOCC2)C1)[*:1]
O[C@]12CCCC[C@@H]1[C@@H](Cc1ccc(OCc3ccccc3)cc1)[NH2+]CC2 c1ccc(cc1)[*:1] O[C@]12CCCC[C@@H]1[C@@H](Cc1ccc(cc1)OC[*:1])[NH2+]CC2
O[C@]12CCCC[C@@H]1[C@@H](Cc1ccc(OCc3ccccc3)cc1)[NH2+]CC2 c1ccc(cc1)C[*:1] O[C@]12CCCC[C@@H]1[C@@H](Cc1ccc(cc1)O[*:1])[NH2+]CC2
O[C@]12CCCC[C@@H]1[C@@H](Cc1ccc(OCc3ccccc3)cc1)[NH2+]CC2 c1ccc(cc1)CO[*:1] O[C@]12CCCC[C@@H]1[C@@H](Cc1ccc(cc1)[*:1])[NH2+]CC2
CCN(CC(C)(C)C[NH3+])C(=O)c1cnoc1C CC(C)(C[NH3+])[*:1] CCN(C[*:1])C(=O)c1cnoc1C
CCc1nc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cs1 C1CN(CCO1)[*:1] CCc1nc(cs1)C[NH2+]CC1(CCCCC1)[*:1]
CCc1nc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cs1 CCc1nc(cs1)[*:1] C1CCC(CC1)(C[NH2+]C[*:1])N1CCOCC1
CC[C@H](C)S(=O)(=O)CCCOc1cccc(N)c1 CC[C@H](C)[*:1] Nc1cccc(c1)OCCCS(=O)(=O)[*:1]
O=C1C(=O)N(C/C=C/CCl)c2c(F)cccc21 ClCC=C[*:1] O=C1C(=O)N(C[*:1])c2c(F)cccc21
O=C1C(=O)N(C/C=C/CCl)c2c(F)cccc21 ClC/C=C/C[*:1] O=C1C(=O)N(c2c(F)cccc21)[*:1]
COc1cccc([C@@H]2CN(Cc3c(Cl)nc4ccccn34)CCO2)c1 COc1cccc(c1)[*:1] Clc1nc2ccccn2c1CN1CCO[C@@H](C1)[*:1]
C#CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[*:1]
C#CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 CC(C)C[*:1] C#CCN(C(=O)N[C@@H](C[NH+](C)C)[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] C#CCN(C(=O)N[C@H](C[NH+](C)C)C[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] CC(C)C[C@@H](C[NH+](C)C)NC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CN(C)C(=O)C[NH+]1CCC(NC(=O)/C=C/SCc2ccco2)CC1 CN(C)C(=O)[*:1] O=C(/C=C/SCc1ccco1)NC1CC[NH+](CC1)C[*:1]
CN(C)C(=O)C[NH+]1CCC(NC(=O)/C=C/SCc2ccco2)CC1 CN(C)C(=O)C[*:1] O=C(/C=C/SCc1ccco1)NC1CC[NH+](CC1)[*:1]
CN(C)C(=O)C[NH+]1CCC(NC(=O)/C=C/SCc2ccco2)CC1 c1coc(c1)CS[*:1] CN(C)C(=O)C[NH+]1CCC(CC1)NC(=O)C=C[*:1]
CN(C)C(=O)C[NH+]1CCC(NC(=O)/C=C/SCc2ccco2)CC1 c1coc(c1)C[*:1] CN(C)C(=O)C[NH+]1CCC(CC1)NC(=O)/C=C/S[*:1]
CN(C)C(=O)C[NH+]1CCC(NC(=O)/C=C/SCc2ccco2)CC1 c1coc(c1)[*:1] CN(C)C(=O)C[NH+]1CCC(CC1)NC(=O)/C=C/SC[*:1]
Cc1csc(SCC(=O)Nc2cccc(Cl)c2N2CCCCC2)n1 Cc1csc(n1)[*:1] O=C(CS[*:1])Nc1cccc(Cl)c1N1CCCCC1
Cc1csc(SCC(=O)Nc2cccc(Cl)c2N2CCCCC2)n1 Cc1csc(n1)SC[*:1] O=C(Nc1cccc(Cl)c1N1CCCCC1)[*:1]
Cc1csc(SCC(=O)Nc2cccc(Cl)c2N2CCCCC2)n1 C1CCN(CC1)[*:1] Cc1csc(n1)SCC(=O)Nc1cccc(Cl)c1[*:1]
Cc1csc(SCC(=O)Nc2cccc(Cl)c2N2CCCCC2)n1 Cc1csc(n1)S[*:1] O=C(C[*:1])Nc1cccc(Cl)c1N1CCCCC1
CC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[C@@H]([NH2+][C@@H]1CC(=O)N(C1)C1CC1)[*:1]
CC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)s1 C1CC1[*:1] CC[C@@H]([NH2+][C@@H]1CC(=O)N(C1)[*:1])c1ccc(Cl)s1
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]1CC[C@H](CN1C(=O)CCCO[*:1])C(N)=O
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCCOc1ccc(F)cc1 NC(=O)[*:1] C[C@H]1CC[C@@H](CN1C(=O)CCCOc1ccc(F)cc1)[*:1]
CC1(C)CN(CCCc2ccccc2)CC[S@]1=O c1ccc(cc1)[*:1] CC1(C)CN(CCC[*:1])CC[S@]1=O
CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCCCN3CCOCC3)c2C1 Fc1ccc(cc1)[*:1] CC1(C)CC(=O)c2cn(c(=O)c(C(=O)NCCCN3CCOCC3)c2C1)[*:1]
CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCCCN3CCOCC3)c2C1 C1CN(CCO1)CC[*:1] CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NC[*:1])c2C1
CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCCCN3CCOCC3)c2C1 C1CN(CCO1)[*:1] CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCCC[*:1])c2C1
CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCCCN3CCOCC3)c2C1 C1CN(CCO1)C[*:1] CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCC[*:1])c2C1
CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)NCCCN3CCOCC3)c2C1 C(CN1CCOCC1)C[*:1] CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)N[*:1])c2C1
CC(C)(C)[C@H]([NH3+])c1noc(-c2c(F)cc(Br)cc2F)n1 CC(C)(C)[*:1] [NH3+][C@H](c1noc(n1)-c1c(F)cc(Br)cc1F)[*:1]
CC(C)(C[NH3+])NC(=O)c1c(F)cc(Br)cc1F CC(C)(C[NH3+])[*:1] O=C(N[*:1])c1c(F)cc(Br)cc1F
Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)c(C)c1 Cc1ccc(C[*:1])c(C)c1 O=C1CCC2(CC[NH+](CC2)[*:1])CN1CCc1c[nH]c[nH+]1
Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1CCC2(CC[NH+](CC2)C[*:1])CN1CCc1c[nH]c[nH+]1
C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCO[C@H](c2ccccc2F)C1 FC(F)[*:1] C[C@@H](C(=O)Nc1ccccc1O[*:1])N1CCO[C@@H](C1)c1ccccc1F
C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCO[C@H](c2ccccc2F)C1 FC(F)O[*:1] C[C@@H](C(=O)Nc1ccccc1[*:1])N1CCO[C@@H](C1)c1ccccc1F
C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCO[C@H](C1)[*:1]
C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1cccc(O)c1 Oc1cccc(c1)[*:1] C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)C[*:1]
O=C(NCCCC[NH+]1CCCC1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCC[NH+]1CCCC1)C(=O)N[*:1]
NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 NC(=O)[*:1] O=S(=O)([N-]c1cc(F)cc(F)c1)c1cccc(c1)[*:1]
Cc1ccccc1Cn1c(C(=O)Nc2cnn(C(C)C)c2)cc2occc21 Cc1ccccc1[*:1] CC(C)n1cc(cn1)NC(=O)c1cc2occc2n1C[*:1]
Cc1ccccc1Cn1c(C(=O)Nc2cnn(C(C)C)c2)cc2occc21 CC(C)[*:1] Cc1ccccc1Cn1c(cc2occc21)C(=O)Nc1cnn(c1)[*:1]
Cc1ccccc1Cn1c(C(=O)Nc2cnn(C(C)C)c2)cc2occc21 Cc1ccccc1C[*:1] CC(C)n1cc(cn1)NC(=O)c1cc2occc2n1[*:1]
Cc1ccccc1Cn1c(C(=O)Nc2cnn(C(C)C)c2)cc2occc21 CC(C)n1cc(cn1)[*:1] Cc1ccccc1Cn1c(cc2occc21)C(=O)N[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)Nc2ccc(OC(F)F)cc2)cc1 FC(F)[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)Nc1ccc(cc1)O[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)Nc2ccc(OC(F)F)cc2)cc1 FC(F)O[*:1] COc1ccc(cc1)[C@H](O)[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
COc1ccc([C@H](O)[C@@H](C)NC(=O)Nc2ccc(OC(F)F)cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)OC(F)F)[C@@H](O)[*:1]
O=C(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(F)c(F)c1
O=C(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)NC1CC1 C1CC1[*:1] O=C(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)N[*:1]
O=C(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Nc1ccc(F)c(F)c1)C(=O)N[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 COCC[*:1] C[C@@H](C(=O)Nc1ccc(c(F)c1)-n1ccnc1)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 c1cn(cn1)[*:1] COCC[C@@H](C)C(=O)Nc1ccc(c(F)c1)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 COC[*:1] C[C@H](C[*:1])C(=O)Nc1ccc(c(F)c1)-n1ccnc1
COCC[C@@H](C)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 COCC[C@@H](C)[*:1] O=C(Nc1ccc(c(F)c1)-n1ccnc1)[*:1]
COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)c1OC COc1cccc(c1OC)[*:1] C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
CCN(Cc1cnn(C)c1)C(=O)CCCc1ccc(C)s1 Cn1cc(cn1)[*:1] CCN(C[*:1])C(=O)CCCc1ccc(C)s1
CCN(Cc1cnn(C)c1)C(=O)CCCc1ccc(C)s1 Cn1cc(cn1)C[*:1] CCN(C(=O)CCCc1ccc(C)s1)[*:1]
CCN(Cc1cnn(C)c1)C(=O)CCCc1ccc(C)s1 Cc1ccc(s1)[*:1] CCN(Cc1cnn(C)c1)C(=O)CCC[*:1]
CCN(Cc1cnn(C)c1)C(=O)CCCc1ccc(C)s1 Cc1ccc(C[*:1])s1 CCN(Cc1cnn(C)c1)C(=O)CC[*:1]
Cc1cc(C)c(NC(=O)NCc2ccnc(OC(C)(C)C)c2)c(Cl)n1 CC(C)(C)[*:1] Cc1cc(C)c(NC(=O)NCc2ccnc(c2)O[*:1])c(Cl)n1
Cc1cc(C)c(NC(=O)NCc2ccnc(OC(C)(C)C)c2)c(Cl)n1 CC(C)(C)O[*:1] Cc1cc(C)c(NC(=O)NCc2ccnc(c2)[*:1])c(Cl)n1
Cc1ccc2nc(N3C(=O)c4oc5ccc(F)cc5c(=O)c4[C@]34C(=O)N(C)c3ccccc34)sc2c1 Cc1ccc2nc(sc2c1)[*:1] CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2[*:1]
CCn1c(=O)n(CC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c2ccccc21 FC(F)(F)[*:1] CCn1c(=O)n(CC(=O)Nc2cc(c[nH]c2=O)[*:1])c2ccccc21
CNC(=O)[C@H](C)CN(C)C(=O)[C@H](OC1CCCC1)c1ccccc1 C1CCC(C1)O[*:1] CNC(=O)[C@H](C)CN(C)C(=O)[C@H](c1ccccc1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)[C@H](OC1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)[C@H](OC1CCCC1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)[C@H](OC1CCCC1)c1ccccc1 C1CCC(C1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)[C@H](O[*:1])c1ccccc1
CNC(=O)[C@H](C)CN(C)C(=O)[C@H](OC1CCCC1)c1ccccc1 CNC(=O)[C@H](C)[*:1] CN(C[*:1])C(=O)[C@H](OC1CCCC1)c1ccccc1
CNC(=O)[C@H](C)CN(C)C(=O)[C@H](OC1CCCC1)c1ccccc1 CNC(=O)[*:1] C[C@H](CN(C)C(=O)[C@H](OC1CCCC1)c1ccccc1)[*:1]
COc1cccc(N2CCN(c3ncc(S(=O)(=O)c4cc(Cl)ccc4OC)c(N)n3)CC2)c1 COc1cccc(c1)[*:1] COc1ccc(Cl)cc1S(=O)(=O)c1cnc(nc1N)N1CCN(CC1)[*:1]
COc1cccc(N2CCN(c3ncc(S(=O)(=O)c4cc(Cl)ccc4OC)c(N)n3)CC2)c1 COc1ccc(Cl)cc1[*:1] COc1cccc(c1)N1CCN(CC1)c1ncc(c(N)n1)S(=O)(=O)[*:1]
CCCC(=O)N1CCC[C@H](C(=O)NNc2c(C)cc(C)cc2C)C1 CCC[*:1] Cc1cc(C)c(NNC(=O)[C@H]2CCCN(C2)C(=O)[*:1])c(C)c1
Cc1csc([C@@H]2CCCN(C(=O)C[C@@H]3CCc4ccccc43)C2)n1 Cc1csc(n1)[*:1] O=C(C[C@@H]1CCc2ccccc21)N1CCC[C@H](C1)[*:1]
COCC(=O)Nc1nc(-c2ccc(OC)c(Cl)c2)cs1 COC[*:1] COc1ccc(cc1Cl)-c1csc(n1)NC(=O)[*:1]
COCC(=O)Nc1nc(-c2ccc(OC)c(Cl)c2)cs1 COCC(=O)N[*:1] COc1ccc(cc1Cl)-c1csc(n1)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)C[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)C[C@H](O)[*:1]
COCCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 COC[*:1] O=C([O-])c1ccc(cc1)CS(=O)(=O)NC[*:1]
COCCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] COCCNS(=O)(=O)Cc1ccc(cc1)[*:1]
COCCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 COCC[*:1] O=C([O-])c1ccc(cc1)CS(=O)(=O)N[*:1]
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(=O)Nc2c(C)ccn(C)c2=O)C1 Cc1ccccc1[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1C[C@@H](C[C@@H]1C)[*:1]
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(=O)Nc2c(C)ccn(C)c2=O)C1 Cc1ccn(C)c(=O)c1[*:1] Cc1ccccc1[C@@H]1C[C@H](C)N(C1)C(=O)C(=O)N[*:1]
CC[C@H](C)[C@H](O)c1nccc2ccccc12 CC[C@H](C)[*:1] O[C@H](c1nccc2ccccc12)[*:1]
O=[N+]([O-])c1ccc(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F O=[N+]([O-])[*:1] Fc1cc(ccc1[*:1])CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1
CCc1nn(-c2cccc(F)c2)c(CC)c1CC(=O)OC Fc1cccc(c1)[*:1] CCc1nn(c(CC)c1CC(=O)OC)[*:1]
CCc1nn(-c2cccc(F)c2)c(CC)c1CC(=O)OC COC(=O)[*:1] CCc1nn(-c2cccc(F)c2)c(CC)c1C[*:1]
CCc1nn(-c2cccc(F)c2)c(CC)c1CC(=O)OC COC(=O)C[*:1] CCc1nn(-c2cccc(F)c2)c(CC)c1[*:1]
Cc1cc(N2CCN(C(=O)C3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)CC2)nc(C(C)C)n1 Cc1cc(nc(n1)C(C)C)[*:1] O=C(C1CCN(CC1)C1=NS(=O)(=O)c2ccccc21)N1CCN(CC1)[*:1]
Cc1cc(N2CCN(C(=O)C3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)CC2)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])N1CCN(CC1)C(=O)C1CCN(CC1)C1=NS(=O)(=O)c2ccccc21
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCC1)C1CCC(=O)N(N=1)[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1=NN(c2ccccc2)C(=O)CC1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])C1CCC(=O)N(N=1)c1ccccc1
CC(=O)Nc1cccc(NC(=O)[C@@H](C)SCc2cccc3ccccc23)c1 CC(=O)N[*:1] C[C@@H](SCc1cccc2ccccc12)C(=O)Nc1cccc(c1)[*:1]
CC(C)(C)c1n[nH]cc1CNC[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(C)c1n[nH]cc1CNC[C@H](O)[*:1]
CC(C)(C)c1n[nH]cc1CNC[C@H](O)c1cccc(F)c1 CC(C)(C)[*:1] O[C@@H](CNCc1c[nH]nc1[*:1])c1cccc(F)c1
CCCCc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCCCc1ccc(cc1)C(=O)N[C@H](C)[*:1]
CCCCc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 CCCC[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1
CCCCc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 CCC[*:1] C[C@@H](NC(=O)c1ccc(cc1)C[*:1])c1ccccc1
CCOc1ccccc1[C@H]1C[NH2+][C@H](C(C)C)CO1 CCO[*:1] CC(C)[C@@H]1CO[C@H](C[NH2+]1)c1ccccc1[*:1]
CCOc1ccccc1[C@H]1C[NH2+][C@H](C(C)C)CO1 CC(C)[*:1] CCOc1ccccc1[C@H]1C[NH2+][C@H](CO1)[*:1]
C[C@@H](O)CNc1ccc(-c2nc(CCc3ccccc3)no2)cn1 C[C@@H](O)CN[*:1] c1ccc(cc1)CCc1noc(n1)-c1ccc(nc1)[*:1]
C[C@@H](O)CNc1ccc(-c2nc(CCc3ccccc3)no2)cn1 c1ccc(cc1)CC[*:1] C[C@@H](O)CNc1ccc(cn1)-c1nc(no1)[*:1]
C[C@@H](O)CNc1ccc(-c2nc(CCc3ccccc3)no2)cn1 c1ccc(cc1)C[*:1] C[C@@H](O)CNc1ccc(cn1)-c1nc(C[*:1])no1
C[C@@H](O)CNc1ccc(-c2nc(CCc3ccccc3)no2)cn1 c1ccc(cc1)[*:1] C[C@@H](O)CNc1ccc(cn1)-c1nc(CC[*:1])no1
C[C@H](CC[NH3+])N(C)C(=O)N[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@H](CC[NH3+])N(C)C(=O)N[*:1]
[NH3+]C[C@@]1(CCSc2ccccc2)CCCc2ccccc21 c1ccc(cc1)S[*:1] [NH3+]C[C@]1(CCCc2ccccc21)CC[*:1]
[NH3+]C[C@@]1(CCSc2ccccc2)CCCc2ccccc21 c1ccc(cc1)[*:1] [NH3+]C[C@]1(CCCc2ccccc21)CCS[*:1]
CN(C[C@H]1CCCN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)C1)C(=O)OC(C)(C)C CN(C(=O)OC(C)(C)C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CCC[C@@H](C1)C[*:1]
CN(C[C@H]1CCCN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)C1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(C[C@H]1CCCN(C1)C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)C(=O)O[*:1]
O=C(/C=C/c1ncc(-c2ccccc2)s1)c1cccc(O)c1 c1ccc(cc1)[*:1] O=C(/C=C/c1ncc(s1)[*:1])c1cccc(O)c1
O=C(/C=C/c1ncc(-c2ccccc2)s1)c1cccc(O)c1 Oc1cccc(c1)[*:1] O=C(/C=C/c1ncc(s1)-c1ccccc1)[*:1]
COc1ccccc1NC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 COc1ccccc1[*:1] Cn1nc(-c2ccc(cc2)OCC(=O)N[*:1])c2ccccc2c1=O
CC1(C)S[C@H](c2ccc(-c3ccccc3)o2)[NH2+][C@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)S[C@@H]([NH2+][C@@H]1[*:1])c1ccc(o1)-c1ccccc1
CC1(C)S[C@H](c2ccc(-c3ccccc3)o2)[NH2+][C@H]1C(=O)[O-] c1ccc(cc1)[*:1] CC1(C)S[C@@H]([NH2+][C@H]1C(=O)[O-])c1ccc(o1)[*:1]
COC(=O)[C@@H](NC(=O)COC1CCCCC1)c1ccc(C)cc1 C1CCC(CC1)[*:1] COC(=O)[C@@H](NC(=O)CO[*:1])c1ccc(C)cc1
COC(=O)[C@@H](NC(=O)COC1CCCCC1)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@H](NC(=O)COC1CCCCC1)[*:1]
COC(=O)[C@@H](NC(=O)COC1CCCCC1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@@H](NC(=O)COC1CCCCC1)[*:1]
COC(=O)[C@@H](NC(=O)COC1CCCCC1)c1ccc(C)cc1 C1CCC(CC1)O[*:1] COC(=O)[C@@H](NC(=O)C[*:1])c1ccc(C)cc1
C[C@H](NC(=O)Cc1cc(-c2ccc3c(c2)C[C@@H](C)O3)on1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cc1cc(on1)-c1ccc2O[C@H](C)Cc2c1)[*:1]
C[C@H](NC(=O)Cc1cc(-c2ccc3c(c2)C[C@@H](C)O3)on1)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H]1Cc2cc(ccc2O1)-c1cc(CC(=O)N[*:1])no1
COC(=O)[C@@H](CC(C)C)NC(=O)c1cn(C2C[NH2+]C2)nn1 CC(C)C[*:1] COC(=O)[C@@H](NC(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1cn(C2C[NH2+]C2)nn1 COC(=O)[*:1] CC(C)C[C@@H](NC(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
COC(=O)[C@@H](CC(C)C)NC(=O)c1cn(C2C[NH2+]C2)nn1 CC(C)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)c1cn(nn1)C1C[NH2+]C1
CCc1ccc(C(=O)N2CCN(C(=O)CCC(C)C)CC2)o1 CC(C)[*:1] CCc1ccc(o1)C(=O)N1CCN(CC1)C(=O)CC[*:1]
CCc1ccc(C(=O)N2CCN(C(=O)CCC(C)C)CC2)o1 CC(C)CC[*:1] CCc1ccc(o1)C(=O)N1CCN(CC1)C(=O)[*:1]
CCc1ccc(C(=O)N2CCN(C(=O)CCC(C)C)CC2)o1 CCc1ccc(o1)[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)[*:1]
CCc1ccc(C(=O)N2CCN(C(=O)CCC(C)C)CC2)o1 CC(C)C[*:1] CCc1ccc(o1)C(=O)N1CCN(CC1)C(=O)C[*:1]
C=C[C@@H](C)CC[C@H](O)C(C)(C)O C=C[C@@H](C)[*:1] CC(C)(O)[C@@H](O)CC[*:1]
C=C[C@@H](C)CC[C@H](O)C(C)(C)O CC(C)(O)[*:1] C=C[C@@H](C)CC[C@H](O)[*:1]
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cc2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC1)C(=O)C[*:1]
Cc1ccc(C(C)C)cc1OC(=O)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cc1ccc(cc1OC(=O)C1CCN(CC1)C(=O)[*:1])C(C)C
Cc1ccc(C(C)C)cc1OC(=O)C1CCN(C(=O)c2cccs2)CC1 CC(C)[*:1] Cc1ccc(cc1OC(=O)C1CCN(CC1)C(=O)c1cccs1)[*:1]
O=C(c1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] FC(F)(F)c1nnc2CN(CCn21)Cc1ccc(cc1)[*:1]
O=C(c1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)cc1)N1CCCCC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)CN1CCn2c(C1)nnc2[*:1])N1CCCCC1
O=C(Cc1ccccc1)OCc1cc(=O)n2ccsc2n1 c1ccc(cc1)C[*:1] O=C(OCc1cc(=O)n2ccsc2n1)[*:1]
O=C(Cc1ccccc1)OCc1cc(=O)n2ccsc2n1 c1ccc(cc1)[*:1] O=C(C[*:1])OCc1cc(=O)n2ccsc2n1
Cc1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)on1 Cc1cc(on1)[*:1] CN(Cc1ccc2OCOc2c1)C(=O)[*:1]
CCCOc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1 CCCO[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
CCCOc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1 c1ccc(nc1)[*:1] CCCOc1ccc(cc1)CNC(=O)[C@@H]1CCCN1C(=O)[*:1]
CCCOc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1 CCC[*:1] O=C(NCc1ccc(cc1)O[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
CCCNC(=O)CNC(=O)N[C@H](CC)c1ccc(C)c(F)c1 CCC[*:1] CC[C@@H](NC(=O)NCC(=O)N[*:1])c1ccc(C)c(F)c1
CCCNC(=O)CNC(=O)N[C@H](CC)c1ccc(C)c(F)c1 CCCNC(=O)C[*:1] CC[C@@H](NC(=O)N[*:1])c1ccc(C)c(F)c1
CCCNC(=O)CNC(=O)N[C@H](CC)c1ccc(C)c(F)c1 CCCNC(=O)[*:1] CC[C@@H](NC(=O)NC[*:1])c1ccc(C)c(F)c1
O=C(Nc1ccc2c(c1)COC2)[C@H](Oc1ccccc1)c1ccccc1 c1ccc(cc1)O[*:1] O=C(Nc1ccc2COCc2c1)[C@H](c1ccccc1)[*:1]
O=C(Nc1ccc2c(c1)COC2)[C@H](Oc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2COCc2c1)[C@H](Oc1ccccc1)[*:1]
O=C(Nc1ccc2c(c1)COC2)[C@H](Oc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2COCc2c1)[C@H](O[*:1])c1ccccc1
COc1ccc(-n2cc(C(=O)N(C)Cc3ccco3)c3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] CN(Cc1ccco1)C(=O)c1cn(c(=O)c2ccccc12)[*:1]
COc1ccc(-n2cc(C(=O)N(C)Cc3ccco3)c3ccccc3c2=O)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)-n1cc(C(=O)N(C)[*:1])c2ccccc2c1=O
COc1ccc(-n2cc(C(=O)N(C)Cc3ccco3)c3ccccc3c2=O)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-n1cc(C(=O)N(C)C[*:1])c2ccccc2c1=O
Cc1sc(NC(=O)C[S@](=O)Cc2ccccc2Cl)c(C)c1C Clc1ccccc1[*:1] Cc1sc(NC(=O)C[S@](=O)C[*:1])c(C)c1C
CSCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1Cl CSC[*:1] C[C@H](Oc1ccc(F)cc1Cl)C(=O)NNC(=O)[*:1]
O=S(=O)(Cc1ccncc1)NC[C@H]1CCCC[NH2+]1 c1cc(ccn1)[*:1] O=S(=O)(C[*:1])NC[C@H]1CCCC[NH2+]1
CCCC(=O)c1ccn(CCN2CCOCC2)c1 C1CN(CCO1)[*:1] CCCC(=O)c1ccn(c1)CC[*:1]
CCCC(=O)c1ccn(CCN2CCOCC2)c1 CCCC(=O)[*:1] c1cn(cc1[*:1])CCN1CCOCC1
CCCC(=O)c1ccn(CCN2CCOCC2)c1 CCC[*:1] O=C(c1ccn(c1)CCN1CCOCC1)[*:1]
Cc1c(C(=O)NCc2ccc(COCc3ccccc3)cc2)nc2cc(Cl)ccn12 c1ccc(cc1)CO[*:1] Cc1c(nc2cc(Cl)ccn12)C(=O)NCc1ccc(cc1)C[*:1]
Cc1c(C(=O)NCc2ccc(COCc3ccccc3)cc2)nc2cc(Cl)ccn12 c1ccc(cc1)C[*:1] Cc1c(nc2cc(Cl)ccn12)C(=O)NCc1ccc(cc1)CO[*:1]
Cc1c(C(=O)NCc2ccc(COCc3ccccc3)cc2)nc2cc(Cl)ccn12 c1ccc(cc1)[*:1] Cc1c(nc2cc(Cl)ccn12)C(=O)NCc1ccc(cc1)COC[*:1]
Cc1c(C(=O)NCc2ccc(COCc3ccccc3)cc2)nc2cc(Cl)ccn12 c1ccc(cc1)COC[*:1] Cc1c(nc2cc(Cl)ccn12)C(=O)NCc1ccc(cc1)[*:1]
CCN(C(=O)CCc1ccsc1)c1ccccc1 c1cc(cs1)C[*:1] CCN(C(=O)C[*:1])c1ccccc1
CCN(C(=O)CCc1ccsc1)c1ccccc1 c1cc(cs1)[*:1] CCN(C(=O)CC[*:1])c1ccccc1
CCN(C(=O)CCc1ccsc1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CCc1ccsc1)[*:1]
CC[C@H](NC(=O)NC[C@H](O)C1CCOCC1)c1cc(F)ccc1F C1CC(CCO1)[*:1] CC[C@H](NC(=O)NC[C@H](O)[*:1])c1cc(F)ccc1F
CC[C@H](NC(=O)NC[C@H](O)C1CCOCC1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@H](NC(=O)NC[C@H](O)C1CCOCC1)[*:1]
CC[C@H](NC(=O)NC[C@H](O)C1CCOCC1)c1cc(F)ccc1F O[C@H](C1CCOCC1)[*:1] CC[C@H](NC(=O)NC[*:1])c1cc(F)ccc1F
C[C@]1(CNC(=O)CCCn2ccnn2)CCCC[C@H]1O c1cn(nn1)[*:1] C[C@@]1(CCCC[C@H]1O)CNC(=O)CCC[*:1]
C[C@]1(CNC(=O)CCCn2ccnn2)CCCC[C@H]1O c1cn(C[*:1])nn1 C[C@@]1(CCCC[C@H]1O)CNC(=O)CC[*:1]
CCCCCN(C)C(=O)[C@@](C)(N)C(F)(F)F CCC[*:1] CN(CC[*:1])C(=O)[C@@](C)(N)C(F)(F)F
CCCCCN(C)C(=O)[C@@](C)(N)C(F)(F)F FC(F)(F)[*:1] CCCCCN(C)C(=O)[C@@](C)(N)[*:1]
CCCCCN(C)C(=O)[C@@](C)(N)C(F)(F)F CCCC[*:1] CN(C[*:1])C(=O)[C@@](C)(N)C(F)(F)F
CCCCCN(C)C(=O)[C@@](C)(N)C(F)(F)F CCCCC[*:1] CN(C(=O)[C@@](C)(N)C(F)(F)F)[*:1]
O=C(N[C@H]1CCc2c(O)cccc21)c1cccc(OCc2cccnc2)c1 c1cncc(c1)CO[*:1] O=C(N[C@H]1CCc2c(O)cccc21)c1cccc(c1)[*:1]
O=C(N[C@H]1CCc2c(O)cccc21)c1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] O=C(N[C@H]1CCc2c(O)cccc21)c1cccc(c1)OC[*:1]
O=C(N[C@H]1CCc2c(O)cccc21)c1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] O=C(N[C@H]1CCc2c(O)cccc21)c1cccc(c1)O[*:1]
CN(Cc1ccc(N(C)C)[nH+]c1)Cc1nnc(-c2ccco2)o1 CN(C)[*:1] CN(Cc1ccc([nH+]c1)[*:1])Cc1nnc(o1)-c1ccco1
CN(Cc1ccc(N(C)C)[nH+]c1)Cc1nnc(-c2ccco2)o1 c1coc(c1)[*:1] CN(Cc1ccc([nH+]c1)N(C)C)Cc1nnc(o1)[*:1]
CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)cc1 CS(=O)(=O)[*:1] [NH3+]C[C@@H]1CC[C@H](O1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cc(nc2ccccc12)[*:1]
Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C(NC(=S)NNC(=O)[*:1])c1cc(nc2ccccc12)-c1ccccc1
C[C@@H](Cc1cccs1)C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] C[C@@H](C[*:1])C(=O)N(C)[C@@H](C)Cc1cccs1
C[C@@H](Cc1cccs1)C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)[C@H](C)[*:1]
C[C@@H](Cc1cccs1)C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] C[C@@H](Cc1cccs1)C(=O)N(C)[C@@H](C)C[*:1]
C[C@@H](Cc1cccs1)C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] C[C@@H](Cc1cccs1)C(=O)N(C)[C@@H](C)[*:1]
CCC(CC)[C@H]([NH2+]C)C1(c2ccccc2)CC1 CCC(CC)[*:1] C[NH2+][C@H](C1(CC1)c1ccccc1)[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
CCCc1cc(NCC)nc(-c2cc(F)cc(Br)c2)n1 CCN[*:1] CCCc1cc(nc(n1)-c1cc(F)cc(Br)c1)[*:1]
CCCc1cc(NCC)nc(-c2cc(F)cc(Br)c2)n1 CCC[*:1] CCNc1cc(nc(n1)-c1cc(F)cc(Br)c1)[*:1]
Cn1c(=O)c2c(SCC(=O)Nc3sccc3C(N)=O)nc(C(C)(C)C)nc2n(C)c1=O NC(=O)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)C(C)(C)C)SCC(=O)Nc1sccc1[*:1]
Cn1c(=O)c2c(SCC(=O)Nc3sccc3C(N)=O)nc(C(C)(C)C)nc2n(C)c1=O CC(C)(C)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)[*:1])SCC(=O)Nc1sccc1C(N)=O
Cn1c(=O)c2c(SCC(=O)Nc3sccc3C(N)=O)nc(C(C)(C)C)nc2n(C)c1=O NC(=O)c1ccsc1[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)C(C)(C)C)SCC(=O)N[*:1]
NC(=O)[C@@H]1C2=C(CCCC2)S[C@H]1NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 Brc1ccccc1[*:1] NC(=O)[C@@H]1C2CCCCC=2S[C@H]1NC(=O)CSc1nc(n[nH]1)[*:1]
NC(=O)[C@@H]1C2=C(CCCC2)S[C@H]1NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 NC(=O)[*:1] O=C(CSc1nc(n[nH]1)-c1ccccc1Br)N[C@@H]1SC2CCCCC=2[C@H]1[*:1]
O=C(/C=C/c1ccco1)N1/C(=N/c2ccccc2)SCc2ccccc21 c1coc(c1)[*:1] O=C(C=C[*:1])N1/C(=N/c2ccccc2)SCc2ccccc21
O=C(/C=C/c1ccco1)N1/C(=N/c2ccccc2)SCc2ccccc21 C(=C[*:1])c1ccco1 O=C(N1/C(=N/c2ccccc2)SCc2ccccc21)[*:1]
O=C(/C=C/c1ccco1)N1/C(=N/c2ccccc2)SCc2ccccc21 c1ccc(cc1)[*:1] O=C(/C=C/c1ccco1)N1C(=N[*:1])SCc2ccccc21
CCC[C@H]1C[C@]1(O)c1cscn1 CCC[*:1] O[C@@]1(C[C@@H]1[*:1])c1cscn1
COC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](C(N)=O)N2C=C(C(C)=O)C=C[C@H]21 Clc1ccc(cc1)[*:1] COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H](C(N)=O)[C@@H]1[*:1])C(C)=O
COC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](C(N)=O)N2C=C(C(C)=O)C=C[C@H]21 COC(=O)[*:1] CC(=O)C1C=C[C@@H]2N(C=1)[C@H](C(N)=O)[C@@H](c1ccc(Cl)cc1)[C@]2(C#N)[*:1]
COC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](C(N)=O)N2C=C(C(C)=O)C=C[C@H]21 CC(=O)[*:1] COC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](C(N)=O)N2C=C(C=C[C@H]21)[*:1]
COC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](C(N)=O)N2C=C(C(C)=O)C=C[C@H]21 NC(=O)[*:1] COC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](N2C=C(C=C[C@H]21)C(C)=O)[*:1]
COc1ccc(F)cc1C(=O)Nc1ccc(C(N)=O)cc1F NC(=O)[*:1] COc1ccc(F)cc1C(=O)Nc1ccc(cc1F)[*:1]
COc1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c2ccccc12 O=C1CCCCN1C[*:1] COc1ccc(C[NH+]2CCC(CC2)[*:1])c2ccccc12
COc1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c2ccccc12 O=C1CCCCN1[*:1] COc1ccc(C[NH+]2CCC(CC2)C[*:1])c2ccccc12
CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1n1cccn1 c1cnn(c1)[*:1] CC[NH2+][C@@H]1c2cc(ccc2CC[C@H]1[*:1])OC
COc1ccc(Cl)cc1NC(=O)c1c(-n2cnnn2)sc2c1CCC2 c1nnnn1[*:1] COc1ccc(Cl)cc1NC(=O)c1c(sc2CCCc21)[*:1]
CCCc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)COc1ccc(cc1)C(F)(F)F)[*:1]
CCCc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)n(C)n1 FC(F)(F)[*:1] CCCc1cc(NC(=O)COc2ccc(cc2)[*:1])n(C)n1
Cn1cccc1C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 Cn1cccc1[*:1] NC(=O)c1ccc(cc1)CN1CCN(CC1)C(=O)[*:1]
Cn1cccc1C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 NC(=O)[*:1] Cn1cccc1C(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)c1[*:1]
COCCNc1oc2c(c1-c1ccc(OC)cc1)c(=O)oc1ccc(C)cc12 COc1ccc(cc1)[*:1] COCCNc1oc2c(c1[*:1])c(=O)oc1ccc(C)cc12
COCCNc1oc2c(c1-c1ccc(OC)cc1)c(=O)oc1ccc(C)cc12 COC[*:1] COc1ccc(cc1)-c1c(NC[*:1])oc2c1c(=O)oc1ccc(C)cc12
COCCNc1oc2c(c1-c1ccc(OC)cc1)c(=O)oc1ccc(C)cc12 COCC[*:1] COc1ccc(cc1)-c1c(N[*:1])oc2c1c(=O)oc1ccc(C)cc12
COCCNc1oc2c(c1-c1ccc(OC)cc1)c(=O)oc1ccc(C)cc12 COCCN[*:1] COc1ccc(cc1)-c1c(oc2c1c(=O)oc1ccc(C)cc12)[*:1]
CN(C(=O)C[NH+]1CCNC(=O)CC1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)C[NH+]1CCNC(=O)CC1)C(c1ccccc1)[*:1]
COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 CC(C)[*:1] COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCN(CC1)[C@H](C#N)[*:1]
COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 CC(C)[C@@H](C#N)[*:1] COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCN(CC1)[*:1]
Cn1cnn(-c2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)c1=O Cn1cnn(c1=O)[*:1] Oc1ccc2ccccc2c1/C=N/c1ccc(cc1)[*:1]
O=C(N[C@@H]1CCCCC[C@H]1C(=O)[O-])[C@@H]1CCC[NH2+]1 O=C([O-])[*:1] O=C(N[C@@H]1CCCCC[C@@H]1[*:1])[C@@H]1CCC[NH2+]1
OCCCn1c(SCc2ccccc2Cl)nnc1-c1cccnc1 OCC[*:1] Clc1ccccc1CSc1nnc(-c2cccnc2)n1C[*:1]
OCCCn1c(SCc2ccccc2Cl)nnc1-c1cccnc1 Clc1ccccc1[*:1] OCCCn1c(nnc1-c1cccnc1)SC[*:1]
OCCCn1c(SCc2ccccc2Cl)nnc1-c1cccnc1 c1cncc(c1)[*:1] OCCCn1c(nnc1[*:1])SCc1ccccc1Cl
OCCCn1c(SCc2ccccc2Cl)nnc1-c1cccnc1 Clc1ccccc1C[*:1] OCCCn1c(nnc1-c1cccnc1)S[*:1]
OCCCn1c(SCc2ccccc2Cl)nnc1-c1cccnc1 OCCC[*:1] Clc1ccccc1CSc1nnc(-c2cccnc2)n1[*:1]
C#CCN(CC(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 C#CC[*:1] C[C@@H](c1ccc(C#N)cc1)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 O=C([O-])[*:1] C#CCN(C[*:1])[C@@H](C)c1ccc(C#N)cc1
C#CCN(CC(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 O=C([O-])C[*:1] C#CCN([C@@H](C)c1ccc(C#N)cc1)[*:1]
COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 COC(=O)[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(cc1)[*:1]
Cc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O Oc1ccc(Cl)cc1[*:1] Cc1ccccc1-n1cc(cc(C#N)c1=O)C(=O)[*:1]
Cc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O Cc1ccccc1[*:1] N#Cc1cc(cn(c1=O)[*:1])C(=O)c1cc(Cl)ccc1O
Cc1nc(CC(C)C)sc1C(=O)N(CCC(N)=O)c1ccccc1 NC(=O)[*:1] Cc1nc(CC(C)C)sc1C(=O)N(CC[*:1])c1ccccc1
Cc1nc(CC(C)C)sc1C(=O)N(CCC(N)=O)c1ccccc1 CC(C)C[*:1] Cc1nc(sc1C(=O)N(CCC(N)=O)c1ccccc1)[*:1]
Cc1nc(CC(C)C)sc1C(=O)N(CCC(N)=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(CC(C)C)sc1C(=O)N(CCC(N)=O)[*:1]
Cc1nc(CC(C)C)sc1C(=O)N(CCC(N)=O)c1ccccc1 NC(=O)CC[*:1] Cc1nc(CC(C)C)sc1C(=O)N(c1ccccc1)[*:1]
Cc1nc(CC(C)C)sc1C(=O)N(CCC(N)=O)c1ccccc1 NC(=O)C[*:1] Cc1nc(CC(C)C)sc1C(=O)N(C[*:1])c1ccccc1
Cc1nc(CC(C)C)sc1C(=O)N(CCC(N)=O)c1ccccc1 CC(C)[*:1] Cc1nc(C[*:1])sc1C(=O)N(CCC(N)=O)c1ccccc1
COc1cccc(NC(=O)C(=O)NCC[C@@H](O)c2cccs2)c1 c1csc(c1)[*:1] COc1cccc(c1)NC(=O)C(=O)NCC[C@@H](O)[*:1]
O=C1N[C@H](CCC(=O)N2CCN(c3ccccc3)CC2)C(=O)Nc2ccccc21 c1ccc(cc1)[*:1] O=C1N[C@H](CCC(=O)N2CCN(CC2)[*:1])C(=O)Nc2ccccc21
C[C@@H]1C[NH+]([C@@H](C)C[C@@H](C)O)C[C@H]1C C[C@@H](O)C[*:1] C[C@@H]1C[NH+](C[C@H]1C)[C@@H](C)[*:1]
C[C@@H]1C[NH+]([C@@H](C)C[C@@H](C)O)C[C@H]1C C[C@@H](O)[*:1] C[C@@H]1C[NH+](C[C@H]1C)[C@@H](C)C[*:1]
COc1cc(CN(C)C(=O)c2ccncc2Cl)c(SC)cc1OC Clc1cnccc1[*:1] COc1cc(CN(C)C(=O)[*:1])c(cc1OC)SC
C#CCOc1ccc(NC(=O)NCc2cc(F)cc(OC)c2)cc1 C#CC[*:1] COc1cc(F)cc(c1)CNC(=O)Nc1ccc(cc1)O[*:1]
C#CCOc1ccc(NC(=O)NCc2cc(F)cc(OC)c2)cc1 C#CCO[*:1] COc1cc(F)cc(c1)CNC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(C)sc2C)c(F)c1 Cc1cc(c(C)s1)[*:1] Cc1ccc(NC(=O)C(=O)N[C@@H](C)[*:1])c(F)c1
COc1ccccc1NC(=S)N/C(=N\c1nc(C)cc(C)n1)N1CCc2ccccc2C1 Cc1cc(C)nc(n1)[*:1] COc1ccccc1NC(=S)NC(=N[*:1])N1CCc2ccccc2C1
COc1ccccc1NC(=S)N/C(=N\c1nc(C)cc(C)n1)N1CCc2ccccc2C1 COc1ccccc1[*:1] Cc1cc(C)nc(/N=C(\NC(=S)N[*:1])N2CCc3ccccc3C2)n1
CCn1cc(Cn2cc(-c3c(C)sc4ccccc34)nn2)cn1 CCn1cc(cn1)[*:1] Cc1sc2ccccc2c1-c1cn(C[*:1])nn1
C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cccc3ccccc23)C1=O c1nnnn1[*:1] C[C@]1(NC(=O)N(Cc2cccc3ccccc23)C1=O)c1cccc(c1)[*:1]
C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cccc3ccccc23)C1=O c1ccc2c(cccc2c1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cccc(c1)-n1cnnn1
C[C@@]1(O)CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(O)CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@H]([C@@H]1C(=O)Nc1ccccc1)[*:1]
C[C@@]1(O)CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] C[C@@]1(O)CC(=O)[C@@H]([C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1)[*:1]
C[C@@]1(O)CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(O)CC(=O)[C@@H](C(=O)N[*:1])[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1
C[C@@]1(O)CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] C[C@@]1(O)CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)[C@H]1[*:1]
C[C@@]1(O)CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(O)CC(=O)[C@@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)N[*:1]
Cc1ccc([C@@H]([C@H](O)c2ccccc2)n2nnc3ccccc32)s1 O[C@H](c1ccccc1)[*:1] Cc1ccc(s1)[C@@H](n1nnc2ccccc21)[*:1]
Cc1ccc([C@@H]([C@H](O)c2ccccc2)n2nnc3ccccc32)s1 Cc1ccc(s1)[*:1] O[C@H](c1ccccc1)[C@@H](n1nnc2ccccc21)[*:1]
Cc1ccc([C@@H]([C@H](O)c2ccccc2)n2nnc3ccccc32)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)[C@@H]([C@H](O)[*:1])n1nnc2ccccc21
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccccc1)CCO O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])/C(=C/c1ccccc1)CCO
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccccc1)CCO OCC[*:1] O=C(N/N=C/c1ccc(cc1)[N+](=O)[O-])/C(=C/c1ccccc1)[*:1]
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccccc1)CCO c1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(cc1)[N+](=O)[O-])C(=C[*:1])CCO
CC(C)Sc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@@H]4C CC(C)[*:1] C[C@H]1CCCc2sc3c(c21)c(=O)n(-c1ccccc1)c1nnc(S[*:1])n31
CC(C)Sc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@@H]4C c1ccc(cc1)[*:1] CC(C)Sc1nnc2n(c(=O)c3c4c(CCC[C@@H]4C)sc3n12)[*:1]
CC(C)Sc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@@H]4C CC(C)S[*:1] C[C@H]1CCCc2sc3c(c21)c(=O)n(-c1ccccc1)c1nnc(n31)[*:1]
Cn1nc(-c2ccncc2)cc1NC(=O)c1cc(C(C)(C)C)nn1C c1cc(ccn1)[*:1] Cn1nc(cc1NC(=O)c1cc(nn1C)C(C)(C)C)[*:1]
Cn1nc(-c2ccncc2)cc1NC(=O)c1cc(C(C)(C)C)nn1C CC(C)(C)[*:1] Cn1nc(cc1NC(=O)c1cc(nn1C)[*:1])-c1ccncc1
Cc1cc2c(c(=O)n1C1CC1)[C@H](c1cccnc1)C(C#N)=C(N)O2 c1cncc(c1)[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c2c(=O)n1C1CC1)[*:1]
Cc1cc2c(c(=O)n1C1CC1)[C@H](c1cccnc1)C(C#N)=C(N)O2 C1CC1[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3cccnc3)c2c(=O)n1[*:1]
CCOc1ccc(C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)cc1 CCO[*:1] N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)cc1 N#CC1(CCCC1)[*:1] CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
O=C(Cc1cccc(F)c1)N1CCCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 Fc1cccc(c1)[*:1] O=C(C[*:1])N1CCCN(CC1)C(=O)c1c[nH]c2nc(ccc12)-c1ccccc1
O=C(Cc1cccc(F)c1)N1CCCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 Fc1cccc(c1)C[*:1] O=C(c1c[nH]c2nc(ccc12)-c1ccccc1)N1CCCN(CC1)C(=O)[*:1]
O=C(Cc1cccc(F)c1)N1CCCN(C(=O)c2c[nH]c3nc(-c4ccccc4)ccc23)CC1 c1ccc(cc1)[*:1] O=C(Cc1cccc(F)c1)N1CCCN(CC1)C(=O)c1c[nH]c2nc(ccc12)[*:1]
COc1ccccc1[C@H]1[C@@H](C(N)=O)C(C)=Nc2nc(-c3cccs3)nn21 c1csc(c1)[*:1] COc1ccccc1[C@H]1[C@@H](C(N)=O)C(C)=Nc2nc(nn21)[*:1]
COc1ccccc1[C@H]1[C@@H](C(N)=O)C(C)=Nc2nc(-c3cccs3)nn21 NC(=O)[*:1] COc1ccccc1[C@H]1[C@@H](C(C)=Nc2nc(nn21)-c1cccs1)[*:1]
COc1ccccc1[C@H]1[C@@H](C(N)=O)C(C)=Nc2nc(-c3cccs3)nn21 COc1ccccc1[*:1] CC1=Nc2nc(nn2[C@H]([C@H]1C(N)=O)[*:1])-c1cccs1
COCC(=O)Nc1ccc([N+](=O)[O-])cc1OC COC[*:1] COc1cc(ccc1NC(=O)[*:1])[N+](=O)[O-]
COCC(=O)Nc1ccc([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COCC(=O)Nc1ccc(cc1OC)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(OCC#N)c1 N#CC[*:1] COc1ccc(cc1NC(=O)Cc1cccc(c1)O[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(OCC#N)c1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)Cc1cccc(c1)OCC#N)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(OCC#N)c1 N#CCO[*:1] COc1ccc(cc1NC(=O)Cc1cccc(c1)[*:1])[N+](=O)[O-]
C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1C[C@H]2CC[C@@H]1C2 O=[N+]([O-])[*:1] C[NH2+]Cc1cc(ccc1OC[C@@H]1C[C@H]2CC[C@@H]1C2)[*:1]
C[C@H]1CS(=O)(=O)N(c2cc(C(=O)NCc3cccnc3)ccc2Cl)C1=O c1cncc(c1)C[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1cc(ccc1Cl)C(=O)N[*:1]
C[C@H]1CS(=O)(=O)N(c2cc(C(=O)NCc3cccnc3)ccc2Cl)C1=O c1cncc(c1)[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1cc(ccc1Cl)C(=O)NC[*:1]
CC(=O)Nc1cccc(/N=C2\NC[C@H](C)S2)c1 CC(=O)N[*:1] C[C@H]1CN/C(=N\c2cccc(c2)[*:1])S1
CC1(C)N=C(SCC(=O)Nc2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)=N1 Clc1ccc(c(Cl)c1)[*:1] CC1(C)N=C(SCC(=O)N[*:1])C(=N1)c1ccc(Cl)cc1
CC1(C)N=C(SCC(=O)Nc2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)=N1 Clc1ccc(cc1)[*:1] CC1(C)N=C(SCC(=O)Nc2ccc(Cl)cc2Cl)C(=N1)[*:1]
CC(C)(C)CC(=O)NCc1cccnc1-c1ccccc1 CC(C)(C)C[*:1] O=C(NCc1cccnc1-c1ccccc1)[*:1]
CC(C)(C)CC(=O)NCc1cccnc1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)CC(=O)NCc1cccnc1[*:1]
CC(C)(C)CC(=O)NCc1cccnc1-c1ccccc1 CC(C)(C)[*:1] O=C(C[*:1])NCc1cccnc1-c1ccccc1
C[C@@H]1CN(C(=O)NCC(C)(C)[NH+](C)C)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)[*:1])C(=O)NCC(C)(C)[NH+](C)C
CCn1cc([C@@H]2C[C@H](C(=O)NCc3ccco3)N(C)S(=O)(=O)N2)c(C)n1 CCn1cc(c(C)n1)[*:1] CN1[C@H](C[C@H](NS1(=O)=O)[*:1])C(=O)NCc1ccco1
CCn1cc([C@@H]2C[C@H](C(=O)NCc3ccco3)N(C)S(=O)(=O)N2)c(C)n1 c1coc(c1)C[*:1] CCn1cc(c(C)n1)[C@@H]1C[C@H](C(=O)N[*:1])N(C)S(=O)(=O)N1
CCn1cc([C@@H]2C[C@H](C(=O)NCc3ccco3)N(C)S(=O)(=O)N2)c(C)n1 c1coc(c1)[*:1] CCn1cc(c(C)n1)[C@@H]1C[C@H](C(=O)NC[*:1])N(C)S(=O)(=O)N1
Cc1ccn(CCC(=O)N2CCN(c3ncccn3)CC2)n1 Cc1ccn(C[*:1])n1 O=C(C[*:1])N1CCN(CC1)c1ncccn1
Cc1ccn(CCC(=O)N2CCN(c3ncccn3)CC2)n1 c1cnc(nc1)[*:1] Cc1ccn(CCC(=O)N2CCN(CC2)[*:1])n1
Cc1ccn(CCC(=O)N2CCN(c3ncccn3)CC2)n1 Cc1ccn(n1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ncccn1
Cn1cccc1/C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O Cn1cccc1[*:1] N#Cc1ccccc1CN1C(=O)SC(=C[*:1])C1=O
COc1ccc(NC(=O)Cc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Cc1c(C)nc2cc(nn2c1C)[*:1]
COc1ccc(NC(=O)Cc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1 COc1ccc(cc1)[*:1] Cc1nc2cc(nn2c(C)c1CC(=O)N[*:1])-c1ccccc1
CC[NH+](CCNCc1nc2ccccc2n1C)C(C)C CC(C)[*:1] CC[NH+](CCNCc1nc2ccccc2n1C)[*:1]
C[C@@H](C(=O)NCc1cccs1)n1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 c1csc(c1)[*:1] C[C@@H](C(=O)NC[*:1])n1ccc2cc(ccc21)S(=O)(=O)N1CCCCCC1
C[C@@H](C(=O)NCc1cccs1)n1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 O=S(=O)(N1CCCCCC1)[*:1] C[C@@H](C(=O)NCc1cccs1)n1ccc2cc(ccc21)[*:1]
C[C@@H](C(=O)NCc1cccs1)n1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 O=C(NCc1cccs1)[*:1] C[C@@H](n1ccc2cc(ccc21)S(=O)(=O)N1CCCCCC1)[*:1]
C[C@@H](C(=O)NCc1cccs1)n1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 c1csc(c1)C[*:1] C[C@@H](C(=O)N[*:1])n1ccc2cc(ccc21)S(=O)(=O)N1CCCCCC1
COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2F)cc1 COc1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)cc1F)N1CCC[C@H]1[*:1]
COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1)[C@@H]1CCCN1S(=O)(=O)[*:1]
CCc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 c1ccc(cc1)[*:1] CCc1cccc(c1)NS(=O)(=O)C=C[*:1]
CCN(CC(F)(F)F)C(=O)c1cnc2ccccn2c1=O FC(F)(F)[*:1] CCN(C[*:1])C(=O)c1cnc2ccccn2c1=O
CCN(CC(F)(F)F)C(=O)c1cnc2ccccn2c1=O FC(F)(F)C[*:1] CCN(C(=O)c1cnc2ccccn2c1=O)[*:1]
C=C(C)C[C@@H]([NH2+]CC)[C@@H]1CN2CCC[C@@H]2CO1 C=C(C)[*:1] CC[NH2+][C@H](C[*:1])[C@@H]1CN2CCC[C@@H]2CO1
C=C(C)C[C@@H]([NH2+]CC)[C@@H]1CN2CCC[C@@H]2CO1 C=C(C)C[*:1] CC[NH2+][C@@H]([C@@H]1CN2CCC[C@@H]2CO1)[*:1]
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 Fc1ccc(cc1)[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 NC(=O)[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)c1ccc(F)cc1)c2[*:1]
CN(C)c1ncccc1C[NH2+]Cc1cccn1-c1nccs1 CN(C)[*:1] c1cnc(c(c1)C[NH2+]Cc1cccn1-c1nccs1)[*:1]
CN(C)c1ncccc1C[NH2+]Cc1cccn1-c1nccs1 c1csc(n1)[*:1] CN(C)c1ncccc1C[NH2+]Cc1cccn1[*:1]
CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\Nc1ccccc1[*:1]
CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\N[*:1]
CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\Nc1ccccc1[N+](=O)[O-] C1CO[C@@H](C1)C[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\Nc1ccccc1[N+](=O)[O-])[*:1]
COc1ccc(N(C)C(=O)C[C@@H](O)c2ccccc2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)N(C)C(=O)C[C@@H](O)[*:1]
CSc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])C(C)(C)S2)cc1 O=C([O-])[*:1] CSc1ccc(cc1)[C@H]1[NH2+][C@@H](C(C)(C)S1)[*:1]
CC1(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCC1 N#Cc1ccccc1O[*:1] CC1(CCCC1)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC1(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCC1 N#Cc1ccccc1[*:1] CC1(CCCC1)CNC(=O)C(=O)Nc1ccc(cc1)O[*:1]
CC1(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCC1 CC1(CCCC1)C[*:1] N#Cc1ccccc1Oc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC1(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCC1 CC1(CCCC1)[*:1] N#Cc1ccccc1Oc1ccc(cc1)NC(=O)C(=O)NC[*:1]
Cc1cccc(=O)n1CCCCNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C Cc1cccc(=O)n1[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCCCC[*:1]
COc1ccc(-c2nc3n(c2C(=O)Nc2cc(OC)ccc2OC)CCS3(=O)=O)cc1 COc1ccc(OC)c(c1)[*:1] COc1ccc(cc1)-c1nc2n(CCS2(=O)=O)c1C(=O)N[*:1]
COc1ccc(-c2nc3n(c2C(=O)Nc2cc(OC)ccc2OC)CCS3(=O)=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)c1c(nc2n1CCS2(=O)=O)[*:1]
COc1ccccc1NC(=O)[C@@H](C)n1nnc2sc3c(c2c1=O)CC[C@H](C)C3 COc1ccccc1[*:1] C[C@H]1CCc2c(C1)sc1nnn(c(=O)c21)[C@H](C)C(=O)N[*:1]
Cc1c[nH+]c(NCc2ccc(C#N)cc2)nc1NCc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1c[nH+]c(nc1NC[*:1])NCc1ccc(C#N)cc1
Cc1c[nH+]c(NCc2ccc(C#N)cc2)nc1NCc1ccc(C#N)cc1 N#Cc1ccc(cc1)C[*:1] Cc1c[nH+]c(nc1N[*:1])NCc1ccc(C#N)cc1
Cc1c[nH+]c(NCc2ccc(C#N)cc2)nc1NCc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1c[nH+]c(nc1NCc1ccc(C#N)cc1)NC[*:1]
Cc1c[nH+]c(NCc2ccc(C#N)cc2)nc1NCc1ccc(C#N)cc1 N#Cc1ccc(cc1)C[*:1] Cc1c[nH+]c(nc1NCc1ccc(C#N)cc1)N[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](n2c(=O)[nH]c3ccccc3c2=O)C1 CS(=O)(=O)[*:1] O=c1[nH]c2ccccc2c(=O)n1[C@H]1CCC[C@@H](C1)[*:1]
COc1ccc(-c2nnc(S[C@H](C)C(N)=O)n2-c2cccc(C(F)(F)F)c2)cc1 COc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1-c1cccc(c1)C(F)(F)F)[*:1])C(N)=O
COc1ccc(-c2nnc(S[C@H](C)C(N)=O)n2-c2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1nnc(S[C@H](C)C(N)=O)n1-c1cccc(c1)[*:1]
COc1ccc(-c2nnc(S[C@H](C)C(N)=O)n2-c2cccc(C(F)(F)F)c2)cc1 NC(=O)[*:1] COc1ccc(cc1)-c1nnc(S[C@H](C)[*:1])n1-c1cccc(c1)C(F)(F)F
Cc1nc(-c2cccc(C(=O)NCCNC(=O)C3CC3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(NCCNC(=O)C1CC1)c1cccc(c1)[*:1]
Cc1nc(-c2cccc(C(=O)NCCNC(=O)C3CC3)c2)n[nH]1 O=C(N[*:1])C1CC1 Cc1nc(n[nH]1)-c1cccc(c1)C(=O)NCC[*:1]
Cc1nc(-c2cccc(C(=O)NCCNC(=O)C3CC3)c2)n[nH]1 C1CC1[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)NCCNC(=O)[*:1]
Cc1nc(-c2cccc(C(=O)NCCNC(=O)C3CC3)c2)n[nH]1 O=C(NC[*:1])C1CC1 Cc1nc(n[nH]1)-c1cccc(c1)C(=O)NC[*:1]
Cc1cc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2F)no1 Cc1cc(no1)[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)NC[*:1]
Cc1cc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2F)no1 O=C([O-])[*:1] Cc1cc(CNS(=O)(=O)c2ccc(cc2F)[*:1])no1
Cc1cc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2F)no1 Cc1cc(C[*:1])no1 O=C([O-])c1ccc(c(F)c1)S(=O)(=O)N[*:1]
COc1cccc(NC(=O)N2CCN(Cc3noc(-c4cc(OC)cc(OC)c4)n3)CC2)c1 COc1cccc(c1)[*:1] COc1cc(cc(c1)-c1nc(CN2CCN(CC2)C(=O)N[*:1])no1)OC
COc1cccc(NC(=O)N2CCN(Cc3noc(-c4cc(OC)cc(OC)c4)n3)CC2)c1 COc1cc(cc(c1)[*:1])OC COc1cccc(c1)NC(=O)N1CCN(CC1)Cc1noc(n1)[*:1]
CC[C@@H]1CN(C(=O)c2ccc(-c3cccc4c3OCC4)nc2)CCN1C(C)C c1cc2CCOc2c(c1)[*:1] CC[C@@H]1CN(CCN1C(C)C)C(=O)c1ccc(nc1)[*:1]
CC[C@@H]1CN(C(=O)c2ccc(-c3cccc4c3OCC4)nc2)CCN1C(C)C CC(C)[*:1] CC[C@@H]1CN(CCN1[*:1])C(=O)c1ccc(nc1)-c1cccc2CCOc21
Cc1nn(CC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c(C)c1[*:1]
Cc1nn(CC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c(C)c1[N+](=O)[O-] Fc1cccc(c1)[*:1] Cc1nn(CC(=O)N[C@H]2C[C@H]2[*:1])c(C)c1[N+](=O)[O-]
Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(C)c3cc12 Oc1ccc2[nH]cc(c2c1)[*:1] Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](C[*:1])C(=O)[O-])c(C)c3cc12
Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(C)c3cc12 O=C([O-])[*:1] Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](Cc4c[nH]c5ccc(O)cc45)[*:1])c(C)c3cc12
Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(C)c3cc12 Oc1ccc2[nH]cc(C[*:1])c2c1 Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](C(=O)[O-])[*:1])c(C)c3cc12
CC(C)c1ccc(C2(C(=O)NC[C@H](C)C[C@H](C)O)CCCC2)cc1 CC(C)[*:1] C[C@H](O)C[C@@H](C)CNC(=O)C1(CCCC1)c1ccc(cc1)[*:1]
CC(C)c1ccc(C2(C(=O)NC[C@H](C)C[C@H](C)O)CCCC2)cc1 C[C@H](O)C[*:1] CC(C)c1ccc(cc1)C1(CCCC1)C(=O)NC[C@H](C)[*:1]
CC(C)c1ccc(C2(C(=O)NC[C@H](C)C[C@H](C)O)CCCC2)cc1 C[C@H](O)[*:1] CC(C)c1ccc(cc1)C1(CCCC1)C(=O)NC[C@H](C)C[*:1]
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(N4CCCC4)nc3)c2)C1 C1CCN(C1)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(nc1)[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(OC(F)F)c1 Oc1cccc(c1)[*:1] C[C@@H](N(C)C(=O)Nc1cccc(c1)OC(F)F)[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(OC(F)F)c1 FC(F)[*:1] C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(c1)O[*:1]
Cc1cccc(CN(C)[C@@H](c2ccccc2)[C@@H](C)[NH3+])n1 c1ccc(cc1)[*:1] Cc1cccc(CN(C)[C@@H]([C@@H](C)[NH3+])[*:1])n1
O=S(=O)(NCc1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCc1nnc2CCN(CCn21)Cc1c(F)cccc1Cl)[*:1]
O=S(=O)(NCc1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2)c1ccccc1 O=S(=O)(N[*:1])c1ccccc1 Fc1cccc(Cl)c1CN1CCc2nnc(C[*:1])n2CC1
O=S(=O)(NCc1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2)c1ccccc1 Fc1cccc(Cl)c1[*:1] O=S(=O)(NCc1nnc2CCN(CCn21)C[*:1])c1ccccc1
O=S(=O)(NCc1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2)c1ccccc1 Fc1cccc(Cl)c1C[*:1] O=S(=O)(NCc1nnc2CCN(CCn21)[*:1])c1ccccc1
CC(=O)Nc1ccc(F)c(C(=O)O[C@H](C)c2ccccc2N(C)C)c1 CC(=O)N[*:1] C[C@@H](OC(=O)c1cc(ccc1F)[*:1])c1ccccc1N(C)C
CC(=O)Nc1ccc(F)c(C(=O)O[C@H](C)c2ccccc2N(C)C)c1 CN(C)[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)O[C@H](C)c1ccccc1[*:1]
CSc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cccc([N+](=O)[O-])c3)nc12 O=[N+]([O-])c1cccc(c1)[*:1] CSc1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)[*:1]
CSc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cccc([N+](=O)[O-])c3)nc12 O=[N+]([O-])[*:1] CSc1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)c1cccc(c1)[*:1]
CCc1noc([C@@H](C[NH3+])CC(C)C)n1 CC(C)C[*:1] CCc1noc(n1)[C@@H](C[NH3+])[*:1]
CCc1noc([C@@H](C[NH3+])CC(C)C)n1 CC(C)[*:1] CCc1noc(n1)[C@@H](C[NH3+])C[*:1]
CC(=O)NCCNC(=O)c1cc(C)n(C)n1 CC(=O)NC[*:1] Cc1cc(nn1C)C(=O)NC[*:1]
CC(=O)NCCNC(=O)c1cc(C)n(C)n1 CC(=O)N[*:1] Cc1cc(nn1C)C(=O)NCC[*:1]
Cc1ccc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)s1 Cc1ccc(s1)[*:1] O=C(Nc1ccc(cc1)OC(=O)[*:1])c1cccs1
Cc1ccc(C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)s1 c1csc(c1)[*:1] Cc1ccc(s1)C(=O)Oc1ccc(cc1)NC(=O)[*:1]
COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(C)(C)N2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)-c1nn(cc1C(=O)NCC(C)(C)[*:1])-c1ccc(F)cc1
COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(C)(C)N2CCOCC2)c1 CC(C)(C[*:1])N1CCOCC1 COc1cccc(c1)-c1nn(cc1C(=O)N[*:1])-c1ccc(F)cc1
COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(C)(C)N2CCOCC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)-c1nn(cc1C(=O)NCC(C)(C)N1CCOCC1)[*:1]
COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(C)(C)N2CCOCC2)c1 COc1cccc(c1)[*:1] CC(C)(CNC(=O)c1cn(nc1[*:1])-c1ccc(F)cc1)N1CCOCC1
COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(C)(C)N2CCOCC2)c1 CC(C)(N1CCOCC1)[*:1] COc1cccc(c1)-c1nn(cc1C(=O)NC[*:1])-c1ccc(F)cc1
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)NC1CCCC1 FC(F)[*:1] O=C(Nc1ccc(cc1OC(F)F)O[*:1])NC1CCCC1
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)NC1CCCC1 FC(F)[*:1] O=C(Nc1ccc(cc1O[*:1])OC(F)F)NC1CCCC1
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)NC1CCCC1 FC(F)O[*:1] O=C(Nc1ccc(cc1[*:1])OC(F)F)NC1CCCC1
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)NC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1ccc(cc1OC(F)F)OC(F)F)N[*:1]
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)NC1CCCC1 FC(F)O[*:1] O=C(Nc1ccc(cc1OC(F)F)[*:1])NC1CCCC1
Cc1ccccc1CN(c1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(C)(=O)=O Cc1ccccc1[*:1] CS(=O)(=O)N(C[*:1])c1ccc(cc1)C(=O)NC[C@H]1CCCO1
Cc1ccccc1CN(c1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(C)(=O)=O Cc1ccccc1C[*:1] CS(=O)(=O)N(c1ccc(cc1)C(=O)NC[C@H]1CCCO1)[*:1]
Cc1ccccc1CN(c1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(C)(=O)=O O=C(NC[C@H]1CCCO1)[*:1] Cc1ccccc1CN(c1ccc(cc1)[*:1])S(C)(=O)=O
Cc1cc(Cl)c(N)cc1S(=O)(=O)N(C)CCc1cccs1 c1csc(c1)CC[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)N(C)[*:1]
Cc1cc(Cl)c(N)cc1S(=O)(=O)N(C)CCc1cccs1 c1csc(c1)C[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)N(C)C[*:1]
Cc1cc(Cl)c(N)cc1S(=O)(=O)N(C)CCc1cccs1 c1csc(c1)[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)N(C)CC[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2ccc3c(c2)OCCCO3)CC1 N#Cc1ccccc1[*:1] O=C(CSc1ccc2OCCCOc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C1Nc2cc(I)c(F)cc2N[C@H]1C1CC1 C1CC1[*:1] O=C1Nc2cc(I)c(F)cc2N[C@@H]1[*:1]
CCC(CC)N(C)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 CCC(CC)[*:1] CN(C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CC(=O)N1CCCc2cc(OC(F)(F)F)ccc21 FC(F)(F)[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CC(=O)N1CCCc2cc(ccc21)O[*:1]
O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CC(=O)N1CCCc2cc(OC(F)(F)F)ccc21 FC(F)(F)O[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CC(=O)N1CCCc2cc(ccc21)[*:1]
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)N3CCN(c4cccc(Cl)c4)CC3)cc12 Clc1cccc(c1)[*:1] Cc1cc(nc2ccc(cc12)NC(=S)N1CCN(CC1)[*:1])N1CC[NH+](C)CC1
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2OCc2cscn2)c1 c1nc(cs1)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccccc1OC[*:1]
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2OCc2cscn2)c1 c1nc(cs1)C[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccccc1O[*:1]
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2OCc2cscn2)c1 c1nc(cs1)CO[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccccc1[*:1]
CC[C@H]1CCCN(C(=O)NCCc2cccnc2)C1 c1cncc(c1)[*:1] CC[C@H]1CCCN(C1)C(=O)NCC[*:1]
Cc1ccc(C(C)C)cc1NC(=O)NCCCl ClCC[*:1] Cc1ccc(cc1NC(=O)N[*:1])C(C)C
Cc1ccc(C(C)C)cc1NC(=O)NCCCl CC(C)[*:1] Cc1ccc(cc1NC(=O)NCCCl)[*:1]
O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1nnc2sc3CCCCc3c2c1=O)[*:1]
CCSc1nc2ccccc2c(=O)n1-c1ccccc1F Fc1ccccc1[*:1] CCSc1nc2ccccc2c(=O)n1[*:1]
CCSc1nc2ccccc2c(=O)n1-c1ccccc1F CCS[*:1] O=c1c2ccccc2nc(n1-c1ccccc1F)[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
O=C1Nc2cc(Sc3ccncn3)c(Cl)cc2[C@H]1O c1cc(ncn1)[*:1] O=C1Nc2cc(S[*:1])c(Cl)cc2[C@H]1O
Cc1ccc(S(=O)(=O)N[C@@]2(c3cccc4c3NCC4)CCCCC2=O)cc1 c1cc2CCNc2c(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@]1(CCCCC1=O)[*:1]
Cc1ccc(S(=O)(=O)N[C@@]2(c3cccc4c3NCC4)CCCCC2=O)cc1 Cc1ccc(cc1)[*:1] O=C1CCCC[C@@]1(NS(=O)(=O)[*:1])c1cccc2CCNc21
CCC[C@@](C)(NC(=O)c1cnc([C@@H]2CCCO2)s1)C(=O)OC COC(=O)[*:1] CCC[C@@](C)(NC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
CCC[C@@](C)(NC(=O)c1cnc([C@@H]2CCCO2)s1)C(=O)OC CCC[*:1] COC(=O)[C@@](C)(NC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
CCC[C@@](C)(NC(=O)c1cnc([C@@H]2CCCO2)s1)C(=O)OC C1CO[C@@H](C1)[*:1] CCC[C@@](C)(NC(=O)c1cnc(s1)[*:1])C(=O)OC
Cc1ccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)Nc1ncnc(c1[*:1])N1CCCCCC1
Cc1ccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])cc1C Cc1ccc(cc1C)[*:1] O=[N+]([O-])c1c(ncnc1N1CCCCCC1)N[*:1]
Cc1ccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])cc1C C1CCCN(CC1)[*:1] Cc1ccc(cc1C)Nc1ncnc(c1[N+](=O)[O-])[*:1]
O=C(N[C@@H](N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ClC(Cl)(Cl)[*:1] O=C(N[C@@H](N[C@@H]1CCS(=O)(=O)C1)[*:1])c1ccc(Br)cc1
O=C(N[C@@H](N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(N[C@@H](N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl)[*:1]
O=C(N[C@@H](N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 O=S1(=O)CC[C@H](C1)[*:1] O=C(N[C@@H](N[*:1])C(Cl)(Cl)Cl)c1ccc(Br)cc1
CCCN1C(=O)c2c(-n3cccc3)c3cc(F)ccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] CCCN1C(=O)c2c(c3cc(F)ccc3n2C[C@]1(C)C(=O)N[*:1])-n1cccc1
CCCN1C(=O)c2c(-n3cccc3)c3cc(F)ccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 O=C(NC1CCCCCC1)[*:1] CCCN1C(=O)c2c(c3cc(F)ccc3n2C[C@@]1(C)[*:1])-n1cccc1
CCCN1C(=O)c2c(-n3cccc3)c3cc(F)ccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 CCC[*:1] C[C@@]1(Cn2c(C(=O)N1[*:1])c(c1cc(F)ccc12)-n1cccc1)C(=O)NC1CCCCCC1
CCCN1C(=O)c2c(-n3cccc3)c3cc(F)ccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 c1ccn(c1)[*:1] CCCN1C(=O)c2c(c3cc(F)ccc3n2C[C@]1(C)C(=O)NC1CCCCCC1)[*:1]
COc1ccccc1[C@H](CNC(=O)Nc1ccccc1C(C)(C)C)[NH+](C)C COc1ccccc1[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C(C)(C)C)[*:1]
COc1ccccc1[C@H](CNC(=O)Nc1ccccc1C(C)(C)C)[NH+](C)C CC(C)(C)[*:1] COc1ccccc1[C@H](CNC(=O)Nc1ccccc1[*:1])[NH+](C)C
O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1cnn(c1)-c1ccccc1)N[*:1]
O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1cnn(c1)[*:1])Nc1ccccc1
CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)c3ccccc3)C(C)C)cc2C[C@H]1C c1ccc(cc1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@H](C(=O)N[C@@H](C)[*:1])C(C)C
CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)c3ccccc3)C(C)C)cc2C[C@H]1C C[C@@H](c1ccccc1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@H](C(=O)N[*:1])C(C)C
CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)c3ccccc3)C(C)C)cc2C[C@H]1C CC(C)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@H](C(=O)N[C@@H](C)c1ccccc1)[*:1]
Cc1cc(C)c(CNC(=O)c2cn(C)nc2-c2cccnc2)c(=O)[nH]1 c1cncc(c1)[*:1] Cc1cc(C)c(CNC(=O)c2cn(C)nc2[*:1])c(=O)[nH]1
CC[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)c1cnn(c1)Cc1ccccc1)[*:1]
CC[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)C(=O)OC c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)c1cnn(c1)[*:1])C(=O)OC
CC[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)C(=O)OC CC[C@@H](C(=O)OC)[*:1] O=C(N[*:1])c1cnn(c1)Cc1ccccc1
CC[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)C(=O)OC c1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1cnn(c1)C[*:1])C(=O)OC
CCc1ccc(N[C@@H](C(N)=O)c2ccccc2)cc1CC NC(=O)[*:1] CCc1ccc(cc1CC)N[C@@H](c1ccccc1)[*:1]
CCc1ccc(N[C@@H](C(N)=O)c2ccccc2)cc1CC c1ccc(cc1)[*:1] CCc1ccc(cc1CC)N[C@@H](C(N)=O)[*:1]
COc1ccccc1C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1[O-] COc1ccccc1[*:1] Cc1nn(-c2ccccc2)c([O-])c1/C=N/NC(=O)[*:1]
COc1ccccc1C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1[O-] c1ccc(cc1)[*:1] COc1ccccc1C(=O)N/N=C/c1c(C)nn(c1[O-])[*:1]
Cc1cc([C@H]2[C@@H](C[NH2+]C3CC3)CCCN2C)ccc1Br C1CC1[*:1] Cc1cc(ccc1Br)[C@H]1[C@H](CCCN1C)C[NH2+][*:1]
O=C(NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1Cl O=[N+]([O-])[*:1] O=C(NCc1cc(cc2COCOc12)[*:1])c1ccccc1Cl
O=C(NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCc1cc(cc2COCOc12)[N+](=O)[O-])[*:1]
NC(=O)[C@@H]1CC(C(=O)NCCc2nnc3n2CCC3)=NN1c1ccccc1 C1Cc2nnc(n2C1)[*:1] NC(=O)[C@@H]1CC(=NN1c1ccccc1)C(=O)NCC[*:1]
NC(=O)[C@@H]1CC(C(=O)NCCc2nnc3n2CCC3)=NN1c1ccccc1 C1Cc2nnc(C[*:1])n2C1 NC(=O)[C@@H]1CC(=NN1c1ccccc1)C(=O)NC[*:1]
NC(=O)[C@@H]1CC(C(=O)NCCc2nnc3n2CCC3)=NN1c1ccccc1 NC(=O)[*:1] O=C(NCCc1nnc2CCCn21)C1C[C@H](N(N=1)c1ccccc1)[*:1]
NC(=O)[C@@H]1CC(C(=O)NCCc2nnc3n2CCC3)=NN1c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CC(=NN1[*:1])C(=O)NCCc1nnc2CCCn21
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)Nc1nc(C)nn1[C@@H]2[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)Nc1nc(C)nn1[C@H]2c1ccc(cc1)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 COc1ccc(cc1)[*:1] Cc1nc2NC3C[C@@H](CC(=O)C=3[C@H](c3ccc(cc3)[N+](=O)[O-])n2n1)[*:1]
CCCCCc1nc2ccccc2[nH]1 CCC[*:1] c1ccc2[nH]c(CC[*:1])nc2c1
CCCCCc1nc2ccccc2[nH]1 CCCC[*:1] c1ccc2[nH]c(C[*:1])nc2c1
Cc1ccc([C@@](C)(O)CNC(=O)[C@H]2CCO[C@@H]2C)o1 C[C@H]1OCC[C@@H]1[*:1] Cc1ccc(o1)[C@@](C)(O)CNC(=O)[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)[C@H]2CCO[C@@H]2C)o1 Cc1ccc(o1)[*:1] C[C@H]1OCC[C@@H]1C(=O)NC[C@@](C)(O)[*:1]
CC[C@@H](C(=O)NCc1sc(C)nc1C)c1cccc(C(F)(F)F)c1 Cc1nc(C)c(C[*:1])s1 CC[C@@H](C(=O)N[*:1])c1cccc(c1)C(F)(F)F
CC[C@@H](C(=O)NCc1sc(C)nc1C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@@H](C(=O)NCc1sc(C)nc1C)c1cccc(c1)[*:1]
CC[C@@H](C(=O)NCc1sc(C)nc1C)c1cccc(C(F)(F)F)c1 Cc1nc(C)c(s1)[*:1] CC[C@@H](C(=O)NC[*:1])c1cccc(c1)C(F)(F)F
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC[*:1]
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ccc(Cl)cc1Cl Clc1ccc(C[*:1])c(Cl)c1 O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N[*:1]
COCCN1[C@@H](C)[C@@H](C)[C@@H](c2nc3ccccc3[nH]2)[C@H]1NC(=O)c1cccc(OC)c1 COC[*:1] COc1cccc(c1)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@H](C)[C@H](C)N1C[*:1]
COCCN1[C@@H](C)[C@@H](C)[C@@H](c2nc3ccccc3[nH]2)[C@H]1NC(=O)c1cccc(OC)c1 COc1cccc(c1)[*:1] COCCN1[C@@H](C)[C@@H](C)[C@@H](c2nc3ccccc3[nH]2)[C@H]1NC(=O)[*:1]
COCCN1[C@@H](C)[C@@H](C)[C@@H](c2nc3ccccc3[nH]2)[C@H]1NC(=O)c1cccc(OC)c1 COCC[*:1] COc1cccc(c1)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@H](C)[C@H](C)N1[*:1]
COCCN1[C@@H](C)[C@@H](C)[C@@H](c2nc3ccccc3[nH]2)[C@H]1NC(=O)c1cccc(OC)c1 c1ccc2[nH]c(nc2c1)[*:1] COCCN1[C@@H](C)[C@@H](C)[C@@H]([C@H]1NC(=O)c1cccc(c1)OC)[*:1]
CCOC(=O)[C@@](N)(Cc1ccccc1)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@@](N)(Cc1ccccc1)[*:1]
CCOC(=O)[C@@](N)(Cc1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] CCOC(=O)[C@@](N)(C[*:1])C(F)(F)F
CCOC(=O)[C@@](N)(Cc1ccccc1)C(F)(F)F CCOC(=O)[*:1] N[C@@](Cc1ccccc1)(C(F)(F)F)[*:1]
O=C1N/C(=N/N=C\c2ccco2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C1N/C(=N/N=C\c2ccco2)S[C@@H]1Cc1cccc(c1)[*:1]
O=C1N/C(=N/N=C\c2ccco2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 c1coc(c1)[*:1] O=C1N/C(=N/N=C[*:1])S[C@@H]1Cc1cccc(c1)[N+](=O)[O-]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)Cn1c(=O)oc2ccccc21 COC(=O)[*:1] O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCCCC[C@@H]1[*:1]
CCOC(OCC)[C@H](O)c1ccc(F)c(C)c1 CCO[*:1] CCOC([C@H](O)c1ccc(F)c(C)c1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)NNC(=O)[C@@H](C)O[*:1]
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 Fc1ccccc1O[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)NNC(=O)[C@@H](C)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F
Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[*:1]
C[NH2+]C[C@H](C)[C@@H](C)N1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] C[NH2+]C[C@H](C)[C@@H](C)N1CCC[C@H](C1)[*:1]
O=C(Nc1ccc(F)cc1OCC1CC1)C(=O)N1CCCC1 C1CC1C[*:1] O=C(Nc1ccc(F)cc1O[*:1])C(=O)N1CCCC1
O=C(Nc1ccc(F)cc1OCC1CC1)C(=O)N1CCCC1 C1CC1CO[*:1] O=C(Nc1ccc(F)cc1[*:1])C(=O)N1CCCC1
O=C(Nc1ccc(F)cc1OCC1CC1)C(=O)N1CCCC1 C1CC1[*:1] O=C(Nc1ccc(F)cc1OC[*:1])C(=O)N1CCCC1
O=C([O-])C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 C1CC1C[*:1] O=C([O-])C[C@@H]1CN(CCO1)C(=O)C[NH2+][*:1]
O=C([O-])C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 C1CC1[*:1] O=C([O-])C[C@@H]1CN(CCO1)C(=O)C[NH2+]C[*:1]
O=C([O-])C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 O=C([O-])[*:1] O=C(C[NH2+]CC1CC1)N1CCO[C@@H](C1)C[*:1]
O=C([O-])C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)CCO1 O=C([O-])C[*:1] O=C(C[NH2+]CC1CC1)N1CCO[C@@H](C1)[*:1]
CCCOc1ccc(CN(C(=O)c2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 CCCO[*:1] O=C(c1ccc(Br)cc1)N(Cc1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCOc1ccc(CN(C(=O)c2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 Brc1ccc(cc1)[*:1] CCCOc1ccc(cc1)CN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCOc1ccc(CN(C(=O)c2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 CCC[*:1] O=C(c1ccc(Br)cc1)N(Cc1ccc(cc1)O[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)(O)CCc1cccc(C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1 OCC[*:1] CC(C)(O)CCc1cccc(c1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CC(C)(O)CCc1cccc(C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1 CC(C)(O)CC[*:1] O=C(c1cccc(c1)[*:1])N(CCO)[C@H]1CCS(=O)(=O)C1
CC(C)(O)CCc1cccc(C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1 CC(C)(O)C[*:1] O=C(c1cccc(c1)C[*:1])N(CCO)[C@H]1CCS(=O)(=O)C1
CC(C)(O)CCc1cccc(C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1 CC(C)(O)[*:1] O=C(c1cccc(c1)CC[*:1])N(CCO)[C@H]1CCS(=O)(=O)C1
Cc1c([C@H](C)NC(=O)CC[NH+]2CCCC2)cnn1-c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cc1c(cnn1[*:1])[C@H](C)NC(=O)CC[NH+]1CCCC1
O=C1NC(=O)/C(=C/c2ccc3ncnc(-c4ccco4)c3c2)S1 c1coc(c1)[*:1] O=C1NC(=O)/C(=C/c2ccc3ncnc(c3c2)[*:1])S1
COCC[NH2+]C/C(C)=C/c1ccccc1[N+](=O)[O-] COCC[*:1] C/C(=C\c1ccccc1[N+](=O)[O-])C[NH2+][*:1]
COCC[NH2+]C/C(C)=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COCC[NH2+]C/C(C)=C/c1ccccc1[*:1]
COCC[NH2+]C/C(C)=C/c1ccccc1[N+](=O)[O-] COC[*:1] C/C(=C\c1ccccc1[N+](=O)[O-])C[NH2+]C[*:1]
O[C@H]1CCCC[C@H]1Sc1nnc(-c2ccc(Cl)s2)o1 Clc1ccc(s1)[*:1] O[C@H]1CCCC[C@H]1Sc1nnc(o1)[*:1]
COC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C COC(=O)[*:1] C[C@H]1CCC[C@H]1[NH2+][C@@H](C)[C@@H](C)[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](C)c3ccccc32)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)N2CC[C@@H](C)c3ccccc32)c(C)c1[*:1]
COCC(=O)NC[C@@H]1Cc2cc(Cl)cc(C3=CC4=CC=N[C@@H]4C=C3)c2O1 COCC(=O)NC[*:1] Clc1cc2C[C@H](Oc2c(c1)C1C=C[C@H]2N=CC=C2C=1)[*:1]
COCC(=O)NC[C@@H]1Cc2cc(Cl)cc(C3=CC4=CC=N[C@@H]4C=C3)c2O1 COCC(=O)N[*:1] Clc1cc2C[C@@H](C[*:1])Oc2c(c1)C1C=C[C@H]2N=CC=C2C=1
COCC(=O)NC[C@@H]1Cc2cc(Cl)cc(C3=CC4=CC=N[C@@H]4C=C3)c2O1 COC[*:1] O=C(NC[C@@H]1Cc2cc(Cl)cc(C3C=C[C@H]4N=CC=C4C=3)c2O1)[*:1]
CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Br)cc1Cl Clc1cc(Br)ccc1[*:1] CCN(Cc1ccc(OC)c(c1)OC)S(=O)(=O)[*:1]
C[C@@H]([NH2+]C[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@@H]([NH2+]C[C@@H](c1ccccc1)c1c([nH]c2ccccc12)-c1ccccc1)[*:1]
C[C@@H]([NH2+]C[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)N1CCOCC1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]C[C@@H](c1c([nH]c2ccccc12)-c1ccccc1)[*:1])C(=O)N1CCOCC1
C[C@@H]([NH2+]C[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)N1CCOCC1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]C[C@@H](c1ccccc1)c1c([nH]c2ccccc12)[*:1])C(=O)N1CCOCC1
Cc1ccccc1-n1ncc(C(=O)Nc2cccc(Cl)c2F)c1C Cc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cccc(Cl)c1F
Cc1ccccc1-n1ncc(C(=O)Nc2cccc(Cl)c2F)c1C Fc1c(Cl)cccc1[*:1] Cc1ccccc1-n1ncc(C(=O)N[*:1])c1C
Cc1ccoc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])C[*:1] Cc1ccoc1C(=O)N1CCO[C@H](C1)[*:1]
Cc1ccoc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])[*:1] Cc1ccoc1C(=O)N1CCO[C@@H](C1)C[*:1]
Cc1ccoc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 Cc1ccoc1[*:1] O=C([O-])C[C@@H]1CN(CCO1)C(=O)[*:1]
C[C@@H](CCCO)NC(=O)c1cnc2n(c1=O)CCS2 OCCC[*:1] C[C@@H](NC(=O)c1cnc2SCCn2c1=O)[*:1]
C[C@@H](CCCO)NC(=O)c1cnc2n(c1=O)CCS2 C[C@@H](CCCO)[*:1] O=C(N[*:1])c1cnc2SCCn2c1=O
C[C@@H](CCCO)NC(=O)c1cnc2n(c1=O)CCS2 OCC[*:1] C[C@@H](C[*:1])NC(=O)c1cnc2SCCn2c1=O
Cc1cc(C(=O)/C=C\c2ccc(COc3c(Cl)cccc3Cl)o2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(/C=C\c1ccc(COc2c(Cl)cccc2Cl)o1)[*:1]
Cc1cc(C(=O)/C=C\c2ccc(COc3c(Cl)cccc3Cl)o2)n(C)n1 Clc1cccc(Cl)c1[*:1] Cc1cc(C(=O)/C=C\c2ccc(CO[*:1])o2)n(C)n1
CCCN(Cc1cc(-c2ccccc2OC)on1)C(=O)CC CCC[*:1] CCC(=O)N(Cc1cc(on1)-c1ccccc1OC)[*:1]
O=C(Nc1cn[nH]c1)C(=O)Nc1ccc2c3c(cccc13)CC2 c1n[nH]cc1[*:1] O=C(Nc1ccc2CCc3cccc1c32)C(=O)N[*:1]
CCN1CCN(C(=O)CN2CCCC2=O)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O Cc1ccccc1[*:1] CCN1CCN(C[C@H](Cc2cccc(c2)[*:1])C1=O)C(=O)CN1CCCC1=O
CCN1CCN(C(=O)CN2CCCC2=O)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O O=C1CCCN1C[*:1] CCN1CCN(C[C@H](Cc2cccc(c2)-c2ccccc2C)C1=O)C(=O)[*:1]
CCN1CCN(C(=O)CN2CCCC2=O)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O O=C1CCCN1[*:1] CCN1CCN(C[C@H](Cc2cccc(c2)-c2ccccc2C)C1=O)C(=O)C[*:1]
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(CC#N)cc3)Oc3ccccc32)cc1 N#CC[*:1] COc1ccc(cc1)S(=O)(=O)N1C[C@H](Oc2ccccc21)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(CC#N)cc3)Oc3ccccc32)cc1 COc1ccc(cc1)[*:1] N#CCc1ccc(cc1)NC(=O)[C@@H]1CN(c2ccccc2O1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(CC#N)cc3)Oc3ccccc32)cc1 N#CCc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N1C[C@H](Oc2ccccc21)C(=O)N[*:1]
CCn1c(SCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)nc2ccccc2c1=O c1ccc(cc1)[*:1] CCn1c(nc2ccccc2c1=O)SCC(=O)Nc1c(C#N)c2CCCCc2n1[*:1]
COc1ccc(CN(C(=O)c2cc(C)on2)C2CC2)cc1 Cc1cc(no1)[*:1] COc1ccc(cc1)CN(C(=O)[*:1])C1CC1
COc1ccc(CN(C(=O)c2cc(C)on2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)c1cc(C)on1)[*:1]
Cc1nc2ccccc2nc1CN(C)Cc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] Cc1nc2ccccc2nc1CN(C)Cc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(C(=O)N(C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)C(=O)N(C)[*:1]
CCC(=O)Nc1ccc(C(=O)N(C)c2ccccc2)cc1 CCC(=O)N[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1ccccc1
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 O=[N+]([O-])[*:1] O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc2OCOc2cc1[*:1]
Cc1csc(CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)n1 Cc1csc(n1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1ccco1
Cc1csc(CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)n1 c1coc(c1)[*:1] Cc1csc(CNC(=O)[C@H]2CCCN(C2)C(=O)[*:1])n1
Cc1csc(CNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)n1 Cc1csc(C[*:1])n1 O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccco1
COC(=O)c1ccc(C(=O)NC[C@](O)(c2cccs2)C(F)(F)F)cc1 COC(=O)[*:1] O=C(NC[C@](O)(c1cccs1)C(F)(F)F)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)NC[C@](O)(c2cccs2)C(F)(F)F)cc1 FC(F)(F)[*:1] COC(=O)c1ccc(cc1)C(=O)NC[C@](O)(c1cccs1)[*:1]
COC(=O)c1ccc(C(=O)NC[C@](O)(c2cccs2)C(F)(F)F)cc1 c1csc(c1)[*:1] COC(=O)c1ccc(cc1)C(=O)NC[C@](O)(C(F)(F)F)[*:1]
CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc(F)cc(F)c1 C1CC1[*:1] CCOC(=O)c1c(csc1NC(=O)c1cc(F)cc(F)c1)[*:1]
CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc(F)cc(F)c1 CCOC(=O)[*:1] O=C(Nc1scc(c1[*:1])C1CC1)c1cc(F)cc(F)c1
CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] CCOC(=O)c1c(csc1NC(=O)[*:1])C1CC1
CC(C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1 CC(C)[*:1] O=S(=O)(c1cccc(c1)-c1nnc(S[*:1])n1Cc1ccccc1)N1CCOCC1
CC(C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1 CC(C)S[*:1] O=S(=O)(c1cccc(c1)-c1nnc(n1Cc1ccccc1)[*:1])N1CCOCC1
CC(C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)Sc1nnc(-c2cccc(c2)S(=O)(=O)N2CCOCC2)n1[*:1]
CC(C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)Sc1nnc(-c2cccc(c2)S(=O)(=O)N2CCOCC2)n1C[*:1]
CC(C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1 O=S(=O)(N1CCOCC1)[*:1] CC(C)Sc1nnc(-c2cccc(c2)[*:1])n1Cc1ccccc1
O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccccc2Cl)cc1 O=[N+]([O-])[*:1] O[C@H](CNc1ccc(cc1)[*:1])c1ccccc1Cl
CC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N(CC[NH+](C)C)C1CCCC1
CC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)cc1C C1CCC(C1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N(CC[NH+](C)C)[*:1]
C[C@H](N[C@@H](C)c1nc2c(s1)CCCC2)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](N[C@@H](C)c1nc2CCCCc2s1)c1ccc(cc1)[*:1]
CCN(C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 CCN(C)C(=O)N[*:1] CN1CCC(CC1)(C[*:1])[NH+]1CCCCC1
CC1(C)CCN(C(=O)c2ccc(COc3ccccc3)cc2)C1 c1ccc(cc1)O[*:1] CC1(C)CCN(C1)C(=O)c1ccc(cc1)C[*:1]
CC1(C)CCN(C(=O)c2ccc(COc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] CC1(C)CCN(C1)C(=O)c1ccc(cc1)CO[*:1]
COCCCOC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F COCCC[*:1] O=C(O[*:1])[C@@H]1C[C@H]1c1cccc(F)c1F
COCCCOC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F COC[*:1] O=C(OCC[*:1])[C@@H]1C[C@H]1c1cccc(F)c1F
COCCCOC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F COCC[*:1] O=C(OC[*:1])[C@@H]1C[C@H]1c1cccc(F)c1F
Cc1ccc(NC(=O)c2sccc2NS(C)(=O)=O)cc1Cl CS(=O)(=O)N[*:1] Cc1ccc(cc1Cl)NC(=O)c1sccc1[*:1]
COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(C(=O)OC)C1 COC[*:1] COC(=O)N1CC[C@@H](C1)[NH2+][C@H](Cc1ccccc1)[*:1]
COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(C(=O)OC)C1 c1ccc(cc1)C[*:1] COC[C@@H]([NH2+][C@H]1CCN(C1)C(=O)OC)[*:1]
COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(C(=O)OC)C1 c1ccc(cc1)[*:1] COC[C@@H](C[*:1])[NH2+][C@H]1CCN(C1)C(=O)OC
O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)C1CCCCC1 c1cnc(nc1)[*:1] O=C(Nc1c(oc2ccccc12)C(=O)N1CCN(CC1)[*:1])C1CCCCC1
O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)C1CCCCC1 O=C(N[*:1])C1CCCCC1 O=C(c1oc2ccccc2c1[*:1])N1CCN(CC1)c1ncccn1
O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)C1CCCCC1 C1CCC(CC1)[*:1] O=C(c1oc2ccccc2c1NC(=O)[*:1])N1CCN(CC1)c1ncccn1
CCOc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(Cl)cn2)ccc1O CCO[*:1] Cc1ccc2oc3C(=O)N(c4ccc(Cl)cn4)[C@@H](c4ccc(O)c(c4)[*:1])c3c(=O)c2c1
CCOc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(Cl)cn2)ccc1O Clc1ccc(nc1)[*:1] CCOc1cc(ccc1O)[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1[*:1]
CCOc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(Cl)cn2)ccc1O CCOc1cc(ccc1O)[*:1] Cc1ccc2oc3C(=O)N(c4ccc(Cl)cn4)[C@H](c3c(=O)c2c1)[*:1]
Cc1cc(C)cc([C@H](O)c2cc(C(F)(F)F)ccc2F)c1 FC(F)(F)[*:1] Cc1cc(C)cc(c1)[C@H](O)c1cc(ccc1F)[*:1]
O=C(c1ncn(-c2ccccc2)n1)N(CCO)Cc1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] O=C(c1ncn(n1)[*:1])N(CCO)Cc1ccc(Cl)c(Cl)c1
O=C(c1ncn(-c2ccccc2)n1)N(CCO)Cc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(c1ncn(n1)-c1ccccc1)N(CCO)C[*:1]
O=C(c1ncn(-c2ccccc2)n1)N(CCO)Cc1ccc(Cl)c(Cl)c1 OCC[*:1] O=C(c1ncn(n1)-c1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)[*:1]
COc1ccc(NC(=O)NCCc2ccc(F)cc2F)cc1N1CCCC1=O Fc1ccc(C[*:1])c(F)c1 COc1ccc(cc1N1CCCC1=O)NC(=O)NC[*:1]
COc1ccc(NC(=O)NCCc2ccc(F)cc2F)cc1N1CCCC1=O O=C1CCCN1[*:1] COc1ccc(cc1[*:1])NC(=O)NCCc1ccc(F)cc1F
COc1ccc(NC(=O)NCCc2ccc(F)cc2F)cc1N1CCCC1=O Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1N1CCCC1=O)NC(=O)NCC[*:1]
CC[C@@H](COC)N1C(=O)[C@H]2CCCCN2C(=O)[C@@H]1C CC[C@@H](COC)[*:1] C[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1[*:1]
CC[C@@H](COC)N1C(=O)[C@H]2CCCCN2C(=O)[C@@H]1C COC[*:1] CC[C@@H](N1C(=O)[C@H]2CCCCN2C(=O)[C@@H]1C)[*:1]
O=C(c1cccc(I)c1)N1CCN(C(=O)c2ccco2)CC1 Ic1cccc(c1)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)[*:1]
O=C(c1cccc(I)c1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(c1cccc(I)c1)N1CCN(CC1)C(=O)[*:1]
CCc1nn2c(NCCO)cc(C)nc2c1-c1ccc(F)cc1 OCC[*:1] CCc1nn2c(cc(C)nc2c1-c1ccc(F)cc1)N[*:1]
CCc1nn2c(NCCO)cc(C)nc2c1-c1ccc(F)cc1 OCCN[*:1] CCc1nn2c(cc(C)nc2c1-c1ccc(F)cc1)[*:1]
CCc1nn2c(NCCO)cc(C)nc2c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1nn2c(cc(C)nc2c1[*:1])NCCO
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)C=C1CCCCC1 C(=C1CCCCC1)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)[*:1]
CC(C)Oc1ccccc1C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 CC(C)[*:1] C[C@H](CNC(=O)c1ccccc1O[*:1])c1nc(no1)-c1ccccc1
CC(C)Oc1ccccc1C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)Oc1ccccc1C(=O)NC[C@@H](C)c1nc(no1)[*:1]
CC(C)Oc1ccccc1C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 CC(C)O[*:1] C[C@H](CNC(=O)c1ccccc1[*:1])c1nc(no1)-c1ccccc1
COc1cc(OC)c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1OC c1ccc2sc(nc2c1)[*:1] COc1cc(OC)c(cc1OC)C(=O)N1CCC[C@H](C1)[*:1]
O=C(OC[C@H]1CO1)c1ccco1 C1O[C@H]1C[*:1] O=C(O[*:1])c1ccco1
O=C(OC[C@H]1CO1)c1ccco1 C1O[C@H]1[*:1] O=C(OC[*:1])c1ccco1
Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c2ccccc2n1 FC(F)(F)[*:1] Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(cc2)[*:1])c2ccccc2n1
O=C(NCC#CCOc1cccc(Br)c1)c1ccc(Br)cc1 Brc1cccc(c1)[*:1] O=C(NCC#CCO[*:1])c1ccc(Br)cc1
O=C(NCC#CCOc1cccc(Br)c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(NCC#CCOc1cccc(Br)c1)[*:1]
CC[C@@H]1CCCN(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1 C1CCC(CC1)[*:1] CC[C@@H]1CCCN(C1)C(=O)NC1CCN(CC1)C(=O)[*:1]
O=C(Cn1cc(-c2nnco2)c2ccccc21)NCc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1cc(-c2nnco2)c2ccccc21)NC[*:1]
O=C(Cn1cc(-c2nnco2)c2ccccc21)NCc1ccccc1F c1nnc(o1)[*:1] O=C(Cn1cc(c2ccccc21)[*:1])NCc1ccccc1F
O=C(Cn1cc(-c2nnco2)c2ccccc21)NCc1ccccc1F Fc1ccccc1C[*:1] O=C(Cn1cc(-c2nnco2)c2ccccc21)N[*:1]
COc1ccc(/C=N/N2CCOCC2)cc1COc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(/C=N/N2CCOCC2)cc1COc1ccc(cc1)[*:1]
COc1ccc(/C=N/N2CCOCC2)cc1COc1ccc(NC(C)=O)cc1 C(=NN1CCOCC1)[*:1] COc1ccc(cc1COc1ccc(cc1)NC(C)=O)[*:1]
CS[C@H]1CCC[C@H]1N(C)C(=O)NCc1cccc(OCC(F)F)n1 FC(F)C[*:1] CS[C@H]1CCC[C@H]1N(C)C(=O)NCc1cccc(n1)O[*:1]
CS[C@H]1CCC[C@H]1N(C)C(=O)NCc1cccc(OCC(F)F)n1 FC(F)[*:1] CS[C@H]1CCC[C@H]1N(C)C(=O)NCc1cccc(n1)OC[*:1]
CS[C@H]1CCC[C@H]1N(C)C(=O)NCc1cccc(OCC(F)F)n1 FC(F)CO[*:1] CS[C@H]1CCC[C@H]1N(C)C(=O)NCc1cccc(n1)[*:1]
CC(C)n1cnnc1C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 CC(C)[*:1] C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1nncn1[*:1]
CC(C)n1cnnc1C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)n1cnnc1C[NH2+][C@H](C)CC(=O)N[*:1]
O=C(C[NH+]1CC(c2nc(-c3ncccn3)no2)C1)NCc1ccccc1Cl c1cnc(nc1)[*:1] O=C(C[NH+]1CC(C1)c1nc(no1)[*:1])NCc1ccccc1Cl
O=C(C[NH+]1CC(c2nc(-c3ncccn3)no2)C1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(C[NH+]1CC(C1)c1nc(no1)-c1ncccn1)N[*:1]
O=C(C[NH+]1CC(c2nc(-c3ncccn3)no2)C1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(C[NH+]1CC(C1)c1nc(no1)-c1ncccn1)NC[*:1]
O=C([O-])[C@H]1CS[C@H](c2nc3ccccc3s2)N1 O=C([O-])[*:1] c1ccc2sc(nc2c1)[C@@H]1N[C@H](CS1)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 O=C1CCS(=O)(=O)N1[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(c1)[*:1]
CC[C@@]1(C(=O)OCc2cnc(C)s2)CCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CC[C@]1(CCCN1C(=O)O[*:1])C(=O)OCc1cnc(C)s1
CC[C@@]1(C(=O)OCc2cnc(C)s2)CCCN1C(=O)OC(C)(C)C Cc1ncc(s1)[*:1] CC[C@]1(CCCN1C(=O)OC(C)(C)C)C(=O)OC[*:1]
CC[C@@]1(C(=O)OCc2cnc(C)s2)CCCN1C(=O)OC(C)(C)C Cc1ncc(C[*:1])s1 CC[C@]1(CCCN1C(=O)OC(C)(C)C)C(=O)O[*:1]
Cc1cccc(NC(=O)CN(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1C N#Cc1ccc(nc1)[*:1] Cc1cccc(NC(=O)CN(C)C(=O)C2CCN(CC2)[*:1])c1C
Cc1cccc(NC(=O)CN(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1C Cc1cccc(c1C)[*:1] CN(CC(=O)N[*:1])C(=O)C1CCN(CC1)c1ccc(C#N)cn1
Cc1ccc(CC(=O)N(C[C@H]2CCCO2)c2nc3c(F)cccc3s2)cc1 Cc1ccc(cc1)C[*:1] O=C(N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1)[*:1]
Cc1ccc(CC(=O)N(C[C@H]2CCCO2)c2nc3c(F)cccc3s2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1
Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCc2ccccc2)CSC3)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)-n1nc2CSCc2c1NC(=O)C(=O)NCC[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCc2ccccc2)CSC3)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NCCc1ccccc1)C(=O)Nc1c2CSCc2nn1[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCc2ccccc2)CSC3)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(c(C)c1)-n1nc2CSCc2c1NC(=O)C(=O)NC[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCc2ccccc2)CSC3)c(C)c1 c1ccc(cc1)CC[*:1] Cc1ccc(c(C)c1)-n1nc2CSCc2c1NC(=O)C(=O)N[*:1]
NC(=O)c1ccc(NCc2ccc(S(=O)(=O)C(F)F)cc2)cc1 FC(F)[*:1] NC(=O)c1ccc(cc1)NCc1ccc(cc1)S(=O)(=O)[*:1]
NC(=O)c1ccc(NCc2ccc(S(=O)(=O)C(F)F)cc2)cc1 O=S(=O)(C(F)F)[*:1] NC(=O)c1ccc(cc1)NCc1ccc(cc1)[*:1]
NC(=O)c1ccc(NCc2ccc(S(=O)(=O)C(F)F)cc2)cc1 NC(=O)[*:1] O=S(=O)(c1ccc(cc1)CNc1ccc(cc1)[*:1])C(F)F
N#Cc1ccc(CN2CCC[NH+](CC(=O)Nc3nccs3)CC2)cc1 O=C(Nc1nccs1)[*:1] N#Cc1ccc(cc1)CN1CCC[NH+](CC1)C[*:1]
N#Cc1ccc(CN2CCC[NH+](CC(=O)Nc3nccs3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(C[NH+]1CCCN(CC1)C[*:1])Nc1nccs1
N#Cc1ccc(CN2CCC[NH+](CC(=O)Nc3nccs3)CC2)cc1 c1csc(n1)[*:1] N#Cc1ccc(cc1)CN1CCC[NH+](CC1)CC(=O)N[*:1]
CCN(CCNC(=O)C(=O)Nc1ccc(F)cc1F)c1ccccc1C Fc1ccc(c(F)c1)[*:1] CCN(CCNC(=O)C(=O)N[*:1])c1ccccc1C
CCN(CCNC(=O)C(=O)Nc1ccc(F)cc1F)c1ccccc1C Cc1ccccc1[*:1] CCN(CCNC(=O)C(=O)Nc1ccc(F)cc1F)[*:1]
COCc1ccccc1C(=O)NCc1ccccc1OC(C)(C)C COC[*:1] CC(C)(C)Oc1ccccc1CNC(=O)c1ccccc1[*:1]
COCc1ccccc1C(=O)NCc1ccccc1OC(C)(C)C CC(C)(C)[*:1] COCc1ccccc1C(=O)NCc1ccccc1O[*:1]
COCc1ccccc1C(=O)NCc1ccccc1OC(C)(C)C CC(C)(C)O[*:1] COCc1ccccc1C(=O)NCc1ccccc1[*:1]
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1c(O)cccc1O C1CCN(CC1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])c1c(O)cccc1O
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1c(O)cccc1O Oc1cccc(O)c1[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCC1)[*:1]
CC[C@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)C(=O)OC c1ccc(cc1)[*:1] CC[C@H](NC(=O)Cc1c(C)nn(c1C)[*:1])C(=O)OC
CC[C@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)[*:1]
CC[C@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)C(=O)OC CC[C@H](C(=O)OC)[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[*:1]
Cc1cc(C)n2c(n1)nc(=S)n2CN1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1cc(C)n2c(n1)nc(=S)n2CN1CCO[C@H](C1)[*:1]
CC[C@@H](Cc1ccccc1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 c1ccc(cc1)C[*:1] CC[C@@H]([NH2+]C1CCN(CC1)[C@@H](C)c1ccncc1)[*:1]
CC[C@@H](Cc1ccccc1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 C[C@@H](c1ccncc1)[*:1] CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(CC1)[*:1]
CC[C@@H](Cc1ccccc1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 c1cc(ccn1)[*:1] CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(CC1)[C@@H](C)[*:1]
CC[C@@H](Cc1ccccc1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])[NH2+]C1CCN(CC1)[C@@H](C)c1ccncc1
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1cccnc1 c1cncc(c1)[*:1] O=[N+]([O-])c1cc(cc(c1O[*:1])[N+](=O)[O-])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1cccnc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(cc(c1Oc1cccnc1)[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1cccnc1 c1cncc(c1)O[*:1] O=[N+]([O-])c1cc(cc(c1[*:1])[N+](=O)[O-])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1cccnc1 FC(F)(F)[*:1] O=[N+]([O-])c1cc(cc(c1Oc1cccnc1)[N+](=O)[O-])[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1 c1ccc(cc1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)N[*:1])c1ccccc1[N+](=O)[O-]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1 O=[N+]([O-])c1ccccc1[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)Nc1ccccc1)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1 O=C(Nc1ccccc1)[*:1] CC1Nc2ncnn2[C@H](C=1[*:1])c1ccccc1[N+](=O)[O-]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1 O=[N+]([O-])[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)Nc1ccccc1)c1ccccc1[*:1]
CCOc1c(Cl)cccc1NC(=O)C(=O)N[C@H]1CCc2ccccc21 CCO[*:1] O=C(Nc1cccc(Cl)c1[*:1])C(=O)N[C@H]1CCc2ccccc21
Cc1cc(C)cc(C2=CC[NH+](Cn3ncn(C)c3=O)CC2)c1 Cn1cnn(c1=O)[*:1] Cc1cc(C)cc(c1)C1=CC[NH+](CC1)C[*:1]
CCN(CC)C(=O)N1CCC(C(=O)Nc2cc(F)cc(F)c2)CC1 Fc1cc(F)cc(c1)[*:1] CCN(CC)C(=O)N1CCC(CC1)C(=O)N[*:1]
C/C(O)=N/c1nc(SCc2ccc3ccccc3c2)n[nH]1 CC(O)=N[*:1] c1ccc2cc(ccc2c1)CSc1n[nH]c(n1)[*:1]
CNC(=O)c1ccc(NC(=O)N(C)[C@H](C)Cc2ccsc2)cc1Cl c1cc(cs1)C[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)N(C)[C@H](C)[*:1]
CNC(=O)c1ccc(NC(=O)N(C)[C@H](C)Cc2ccsc2)cc1Cl c1cc(cs1)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)N(C)[C@H](C)C[*:1]
CNC(=O)c1ccc(NC(=O)N(C)[C@H](C)Cc2ccsc2)cc1Cl CNC(=O)[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1cc(NC(=O)CCC(F)(F)F)c2ncccc2c1 FC(F)(F)CC[*:1] Cc1cc(NC(=O)[*:1])c2ncccc2c1
Cc1cc(NC(=O)CCC(F)(F)F)c2ncccc2c1 FC(F)(F)[*:1] Cc1cc(NC(=O)CC[*:1])c2ncccc2c1
Cc1cc(NC(=O)CCC(F)(F)F)c2ncccc2c1 FC(F)(F)C[*:1] Cc1cc(NC(=O)C[*:1])c2ncccc2c1
C[NH2+][C@H](Cc1nccs1)c1ccc(C)c(F)c1 c1csc(n1)[*:1] C[NH2+][C@H](C[*:1])c1ccc(C)c(F)c1
CCO[C@@H](C)C(=O)Nc1[nH]nc(CC)c1Br CCO[*:1] CCc1n[nH]c(NC(=O)[C@H](C)[*:1])c1Br
CCO[C@@H](C)C(=O)Nc1[nH]nc(CC)c1Br CCO[C@@H](C)[*:1] CCc1n[nH]c(NC(=O)[*:1])c1Br
Cc1nc(C(=O)N2CC[C@H](O)C2)nn1-c1ccccc1Cl Clc1ccccc1[*:1] Cc1nc(nn1[*:1])C(=O)N1CC[C@H](O)C1
Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@@H]3c1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] Cc1ccc2c3c(ccc2n1)NC1CCCC(=O)C=1[C@H]3[*:1]
Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@@H]3c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc2c3c(ccc2n1)NC1CCCC(=O)C=1[C@@H]3c1ccccc1[*:1]
CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CC1 Clc1ccc(cc1)C[*:1] CN1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CC1 Clc1ccc(cc1)[*:1] CN1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)C[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)c1cnccn1 C1CC1[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1cnccn1
O=C(N[C@@H](c1ccccc1)C1CC1)c1cnccn1 c1cnc(cn1)[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)[*:1]
O=C(N[C@@H](c1ccccc1)C1CC1)c1cnccn1 c1ccc(cc1)[*:1] O=C(N[C@@H](C1CC1)[*:1])c1cnccn1
COCCNC(=O)NCCN1CCN(c2ncccn2)CC1 COCC[*:1] O=C(NCCN1CCN(CC1)c1ncccn1)N[*:1]
COCCNC(=O)NCCN1CCN(c2ncccn2)CC1 COC[*:1] O=C(NCCN1CCN(CC1)c1ncccn1)NC[*:1]
COCCNC(=O)NCCN1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] COCCNC(=O)NCCN1CCN(CC1)[*:1]
Cn1nc2n(c1=O)CC[NH+](Cc1noc(-c3ccoc3)n1)C2 c1cc(co1)[*:1] Cn1nc2C[NH+](CCn2c1=O)Cc1noc(n1)[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 Clc1ccc(Cl)c(c1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccc(o1)[*:1]
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)C1 CC(C)(C)[*:1] NC(=O)C[NH2+][C@H]1CC[C@@H](C1)NC(=O)O[*:1]
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)C1 NC(=O)[*:1] CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C1)[NH2+]C[*:1]
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)C1 NC(=O)C[*:1] CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C1)[NH2+][*:1]
Cc1ccc(N)c(SCc2ccc(C(=O)NN)s2)c1 NNC(=O)[*:1] Cc1ccc(N)c(c1)SCc1ccc(s1)[*:1]
CNC(=O)c1cc(NC(=O)c2cn(C)nc2-c2ccccc2)ccc1F c1ccc(cc1)[*:1] CNC(=O)c1cc(ccc1F)NC(=O)c1cn(C)nc1[*:1]
CNC(=O)c1cc(NC(=O)c2cn(C)nc2-c2ccccc2)ccc1F CNC(=O)[*:1] Cn1cc(C(=O)Nc2ccc(F)c(c2)[*:1])c(n1)-c1ccccc1
CCOC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cn2)CC1 CCN(CC)S(=O)(=O)[*:1] CCOC(=O)N1CCN(CC1)c1ccc(cn1)[*:1]
Cc1ccc(-c2nnc3ccccc3c2C(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)-c1nnc2ccccc2c1C(=O)NCC[NH+]1CCN(CC1)[*:1]
Cc1ccc(-c2nnc3ccccc3c2C(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccccc1F)c1c(nnc2ccccc12)[*:1]
O=C(Cc1ccccc1C(=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=C([O-])c1ccccc1[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(Cc1ccccc1C(=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=C([O-])[*:1] O=C(Cc1ccccc1[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(Cc1ccccc1C(=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(Cc1ccccc1C(=O)[O-])Nc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] CC(C)(C)c1ccc(cc1)NC(=O)N1CCC[NH+](CC1)[*:1]
CC(C)(C)c1ccc(NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[NH+](CC1)Cc1ccccc1
CC(C)(C)c1ccc(NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)N1CCC[NH+](CC1)C[*:1]
CC(C)C[C@H]([NH3+])[C@H]1CCc2cccnc21 CC(C)[*:1] [NH3+][C@@H](C[*:1])[C@H]1CCc2cccnc21
CC(C)C[C@H]([NH3+])[C@H]1CCc2cccnc21 CC(C)C[*:1] [NH3+][C@H]([C@H]1CCc2cccnc21)[*:1]
CCCn1cc[nH+]c1C[C@@](C)(N)c1ccccc1Br CCC[*:1] C[C@@](N)(Cc1[nH+]ccn1[*:1])c1ccccc1Br
COC(=O)/C(C#N)=C\c1cc2cc(OC)ccc2[nH]c1=O COC(=O)[*:1] COc1ccc2[nH]c(=O)c(C=C(C#N)[*:1])cc2c1
CN(Cc1ccccc1C(F)(F)F)c1ncnc2c1cnn2C FC(F)(F)[*:1] CN(Cc1ccccc1[*:1])c1ncnc2c1cnn2C
COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCc2ccc(OC)c(OC)c2)cc1 COc1ccc(cc1OC)[*:1] COc1ccc(cc1)-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1CC[*:1]
COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCc2ccc(OC)c(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCn1c(nc2c(c(=O)c3ccccc3n2C)c1=O)[*:1]
COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCc2ccc(OC)c(OC)c2)cc1 COc1ccc(cc1OC)CC[*:1] COc1ccc(cc1)-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1[*:1]
COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCc2ccc(OC)c(OC)c2)cc1 COc1ccc(cc1OC)C[*:1] COc1ccc(cc1)-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1C[*:1]
CC(=O)c1ccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)cccc3s2)cc1 Cc1cccc2sc(nc12)[*:1] CC(=O)c1ccc(cc1)C(=O)N(CCCn1ccnc1)[*:1]
CC(=O)c1ccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)cccc3s2)cc1 c1cn(cn1)C[*:1] CC(=O)c1ccc(cc1)C(=O)N(CC[*:1])c1nc2c(C)cccc2s1
CC(=O)c1ccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)cccc3s2)cc1 c1cn(cn1)CCC[*:1] CC(=O)c1ccc(cc1)C(=O)N(c1nc2c(C)cccc2s1)[*:1]
CC(=O)c1ccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)cccc3s2)cc1 c1cn(cn1)CC[*:1] CC(=O)c1ccc(cc1)C(=O)N(C[*:1])c1nc2c(C)cccc2s1
CC(=O)c1ccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)cccc3s2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1cccc2sc(nc12)N(CCCn1ccnc1)C(=O)[*:1]
CC(=O)c1ccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)cccc3s2)cc1 c1cn(cn1)[*:1] CC(=O)c1ccc(cc1)C(=O)N(CCC[*:1])c1nc2c(C)cccc2s1
CC(=O)c1ccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)cccc3s2)cc1 CC(=O)[*:1] Cc1cccc2sc(nc12)N(CCCn1ccnc1)C(=O)c1ccc(cc1)[*:1]
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C c1ccc(cc1)C[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C c1ccc(cc1)[*:1] CCn1c(C[*:1])nnc1SCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
CON(C)C(=O)CN1CCCc2c1cccc2[N+](=O)[O-] CON(C)C(=O)[*:1] O=[N+]([O-])c1cccc2c1CCCN2C[*:1]
CON(C)C(=O)CN1CCCc2c1cccc2[N+](=O)[O-] O=[N+]([O-])[*:1] CON(C)C(=O)CN1CCCc2c1cccc2[*:1]
CN(Cc1ccco1)C(=O)CN1CCO[C@@H](Cn2cncn2)C1 c1coc(c1)[*:1] CN(C[*:1])C(=O)CN1CCO[C@H](C1)Cn1cncn1
CN(Cc1ccco1)C(=O)CN1CCO[C@@H](Cn2cncn2)C1 c1ncn(n1)[*:1] CN(Cc1ccco1)C(=O)CN1CCO[C@H](C1)C[*:1]
CN(Cc1ccco1)C(=O)CN1CCO[C@@H](Cn2cncn2)C1 c1ncn(C[*:1])n1 CN(Cc1ccco1)C(=O)CN1CCO[C@@H](C1)[*:1]
CN(Cc1ccco1)C(=O)CN1CCO[C@@H](Cn2cncn2)C1 c1coc(c1)C[*:1] CN(C(=O)CN1CCO[C@H](C1)Cn1cncn1)[*:1]
C[C@H](NC(=O)N(C)[C@H](C)c1cccc(O)c1)c1ccc(Cl)cc1 Oc1cccc(c1)[*:1] C[C@H](NC(=O)N(C)[C@H](C)[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)N(C)[C@H](C)c1cccc(O)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)N(C)[C@H](C)c1cccc(O)c1)[*:1]
CC(C)(C[NH2+][C@@H](c1ccccc1)C1CCCC1)S(C)(=O)=O C1CCC(C1)[*:1] CC(C)(C[NH2+][C@@H](c1ccccc1)[*:1])S(C)(=O)=O
CC(C)(C[NH2+][C@@H](c1ccccc1)C1CCCC1)S(C)(=O)=O c1ccc(cc1)[*:1] CC(C)(C[NH2+][C@@H](C1CCCC1)[*:1])S(C)(=O)=O
CC(C)(C[NH2+][C@@H](c1ccccc1)C1CCCC1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(C[NH2+][C@@H](c1ccccc1)C1CCCC1)[*:1]
CC(C)(C[NH2+][C@@H](c1ccccc1)C1CCCC1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] c1ccc(cc1)[C@H]([NH2+]C[*:1])C1CCCC1
Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccccc4)o3)C2=O)c1 Cc1cccc(c1)C[*:1] O=C1N/C(=C/c2ccc(o2)-c2ccccc2)C(=O)N1[*:1]
Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccccc4)o3)C2=O)c1 Cc1cccc(c1)[*:1] O=C1N/C(=C/c2ccc(o2)-c2ccccc2)C(=O)N1C[*:1]
Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccccc4)o3)C2=O)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CN1C(=O)N/C(=C/c2ccc(o2)[*:1])C1=O
CC1=NC(c2ccncc2)=NC(=O)[C@@H]1CC(=O)N[C@H](C)c1ccccc1C c1cc(ccn1)[*:1] CC1=NC(=NC(=O)[C@@H]1CC(=O)N[C@H](C)c1ccccc1C)[*:1]
CC1=NC(c2ccncc2)=NC(=O)[C@@H]1CC(=O)N[C@H](C)c1ccccc1C Cc1ccccc1[*:1] CC1=NC(=NC(=O)[C@@H]1CC(=O)N[C@H](C)[*:1])c1ccncc1
CC1=NC(c2ccncc2)=NC(=O)[C@@H]1CC(=O)N[C@H](C)c1ccccc1C Cc1ccccc1[C@@H](C)[*:1] CC1=NC(=NC(=O)[C@@H]1CC(=O)N[*:1])c1ccncc1
CC1=C(C(=O)Nc2ccc(Oc3ccccc3)cc2)[C@@H](c2ccc(F)cc2)n2nc(C)nc2N1 Fc1ccc(cc1)[*:1] CC1Nc2nc(C)nn2[C@H](C=1C(=O)Nc1ccc(cc1)Oc1ccccc1)[*:1]
CC1=C(C(=O)Nc2ccc(Oc3ccccc3)cc2)[C@@H](c2ccc(F)cc2)n2nc(C)nc2N1 c1ccc(cc1)O[*:1] CC1Nc2nc(C)nn2[C@@H](C=1C(=O)Nc1ccc(cc1)[*:1])c1ccc(F)cc1
CC1=C(C(=O)Nc2ccc(Oc3ccccc3)cc2)[C@@H](c2ccc(F)cc2)n2nc(C)nc2N1 c1ccc(cc1)[*:1] CC1Nc2nc(C)nn2[C@@H](C=1C(=O)Nc1ccc(cc1)O[*:1])c1ccc(F)cc1
O=CN1CCN(C[C@@H](CC(=O)Nc2ccc(C(F)(F)F)nc2)C(=O)[O-])CC1 O=C([O-])[*:1] O=CN1CCN(CC1)C[C@@H](CC(=O)Nc1ccc(nc1)C(F)(F)F)[*:1]
O=CN1CCN(C[C@@H](CC(=O)Nc2ccc(C(F)(F)F)nc2)C(=O)[O-])CC1 FC(F)(F)[*:1] O=CN1CCN(CC1)C[C@@H](CC(=O)Nc1ccc(nc1)[*:1])C(=O)[O-]
O=CN1CCN(C[C@@H](CC(=O)Nc2ccc(C(F)(F)F)nc2)C(=O)[O-])CC1 O=CN1CCN(CC1)[*:1] O=C(C[C@H](C[*:1])C(=O)[O-])Nc1ccc(nc1)C(F)(F)F
O=CN1CCN(C[C@@H](CC(=O)Nc2ccc(C(F)(F)F)nc2)C(=O)[O-])CC1 O=CN1CCN(CC1)C[*:1] O=C(C[C@@H](C(=O)[O-])[*:1])Nc1ccc(nc1)C(F)(F)F
CCc1cccc(C)c1NC(=O)[C@H](C)S(=O)(=O)[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)[C@H](C)S(=O)(=O)[C@@H](C)[*:1]
O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl c1ccc(cc1)C[*:1] O=C(C[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl
O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl c1ccc(cc1)[*:1] O=C(CC[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl
O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl c1ccc(cc1)CC[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl)[*:1]
CCNC(=O)c1cccnc1N1CCN(C(=O)c2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] CCNC(=O)c1cccnc1N1CCN(CC1)C(=O)[*:1]
CCNC(=O)c1cccnc1N1CCN(C(=O)c2ccc(OC)cc2)CC1 CCNC(=O)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)c1ncccc1[*:1]
CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c1 CC(C)C[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c1 CC(=O)N[*:1] CC(C)CN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
CC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2)cc1C c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[C@@H]1C[C@H](C)N(C1)[*:1]
CC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@@H]1C[C@H](C)N(C1)c1ccccc1
CC(C)[NH2+]Cc1c[nH]c(-c2ncc(Cl)cc2Cl)n1 CC(C)[*:1] Clc1cnc(-c2nc(c[nH]2)C[NH2+][*:1])c(Cl)c1
CC[C@H](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)O C[C@H](O)[*:1] CC[C@H](Cc1cc(Cl)ccc1[N+](=O)[O-])[*:1]
CC[C@H](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)O O=[N+]([O-])[*:1] CC[C@H](Cc1cc(Cl)ccc1[*:1])[C@H](C)O
CCCNC(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 C1CCC(CC1)[*:1] CCCNC(=O)CSc1nnc(-c2cccnc2)n1[*:1]
CCCNC(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 CCC[*:1] O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)N[*:1]
CCCNC(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 CCCNC(=O)C[*:1] c1cncc(c1)-c1nnc(S[*:1])n1C1CCCCC1
CCCNC(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 c1cncc(c1)[*:1] CCCNC(=O)CSc1nnc(n1C1CCCCC1)[*:1]
CCCNC(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 CCCNC(=O)[*:1] c1cncc(c1)-c1nnc(SC[*:1])n1C1CCCCC1
CCCNC(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 CCCNC(=O)CS[*:1] c1cncc(c1)-c1nnc(n1C1CCCCC1)[*:1]
CC(C)[C@@H](C(=O)NC[C@H]1C[C@@]12CCc1ccccc12)N1CCCC1=O O=C1CCCN1[*:1] CC(C)[C@@H](C(=O)NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
CC(C)[C@@H](C(=O)NC[C@H]1C[C@@]12CCc1ccccc12)N1CCCC1=O CC(C)[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)[C@@H](N1CCCC1=O)[*:1]
CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1(C)C c1nnnn1[*:1] CC1(C)CN(C(=O)Cc2ccc(cc2)[*:1])C1(C)C
C[C@H](CNC(=O)CCc1cccnc1)c1cccs1 c1cncc(c1)[*:1] C[C@H](CNC(=O)CC[*:1])c1cccs1
C[C@H](CNC(=O)CCc1cccnc1)c1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)CCc1cccnc1)[*:1]
N#Cc1c(-c2ccccc2)cc2nc3ccccc3n2c1N c1ccc(cc1)[*:1] N#Cc1c(cc2nc3ccccc3n2c1N)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)N[C@H]1CCCN(C1)S(C)(=O)=O
CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)N[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CC(=O)N(C1)C[*:1]
O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1cccc(OCc2cccnc2)c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 FC(F)(F)c1cccnc1[*:1] O=C(Nc1cccc(c1)OCc1cccnc1)[C@H]1CCCN(C1)[*:1]
O=C(Nc1cccc(OCc2cccnc2)c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 c1cncc(c1)CO[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN(C1)c1ncccc1C(F)(F)F
O=C(Nc1cccc(OCc2cccnc2)c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)OCc1cccnc1)[C@H]1CCCN(C1)c1ncccc1[*:1]
O=C(Nc1cccc(OCc2cccnc2)c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 c1cncc(c1)[*:1] O=C(Nc1cccc(c1)OC[*:1])[C@H]1CCCN(C1)c1ncccc1C(F)(F)F
O=C(Nc1cccc(OCc2cccnc2)c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 c1cncc(c1)C[*:1] O=C(Nc1cccc(c1)O[*:1])[C@H]1CCCN(C1)c1ncccc1C(F)(F)F
CCC[C@H](/C([O-])=N/S(=O)(=O)c1cccc(OC)c1)c1ccccc1 CCC[*:1] COc1cccc(c1)S(=O)(=O)/N=C(\[O-])[C@H](c1ccccc1)[*:1]
CCC[C@H](/C([O-])=N/S(=O)(=O)c1cccc(OC)c1)c1ccccc1 COc1cccc(c1)[*:1] CCC[C@H](/C([O-])=N/S(=O)(=O)[*:1])c1ccccc1
CCC[C@H](/C([O-])=N/S(=O)(=O)c1cccc(OC)c1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](/C([O-])=N/S(=O)(=O)c1cccc(c1)OC)[*:1]
C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccncc1 Fc1ccccc1[*:1] C[C@@H](NC(=O)c1cccc(c1)S(=O)(=O)N[*:1])c1ccncc1
C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1F)[*:1]
O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1cccs1 O=C(c1cccs1)[*:1] C(=C1NCCc2cc3OCOc3cc21)[*:1]
O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1cccs1 c1csc(c1)[*:1] O=C(/C=C1\NCCc2cc3OCOc3cc21)[*:1]
CN(C[C@@H](O)CN1CCOCC1)C(=O)c1n[nH]c2ccccc12 C1CN(CCO1)[*:1] CN(C[C@@H](O)C[*:1])C(=O)c1n[nH]c2ccccc12
CN(C[C@@H](O)CN1CCOCC1)C(=O)c1n[nH]c2ccccc12 C1CN(CCO1)C[*:1] CN(C[C@@H](O)[*:1])C(=O)c1n[nH]c2ccccc12
C[C@H](c1ccc(OC(F)F)cc1)N(C)Cc1ncnn1C FC(F)O[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)Cc1ncnn1C
C[C@H](c1ccc(OC(F)F)cc1)N(C)Cc1ncnn1C Cn1ncnc1[*:1] C[C@H](c1ccc(cc1)OC(F)F)N(C)C[*:1]
C[C@H](c1ccc(OC(F)F)cc1)N(C)Cc1ncnn1C FC(F)[*:1] C[C@H](c1ccc(cc1)O[*:1])N(C)Cc1ncnn1C
C[C@H](c1ccc(OC(F)F)cc1)N(C)Cc1ncnn1C Cn1ncnc1C[*:1] C[C@H](c1ccc(cc1)OC(F)F)N(C)[*:1]
COc1ccc(-c2cnnc(N3CCC[C@@H](CN4CCOCC4)C3)n2)cc1 COc1ccc(cc1)[*:1] c1nnc(nc1[*:1])N1CCC[C@@H](CN2CCOCC2)C1
COc1ccc(-c2cnnc(N3CCC[C@@H](CN4CCOCC4)C3)n2)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)-c1cnnc(n1)N1CCC[C@@H](C1)[*:1]
COc1ccc(-c2cnnc(N3CCC[C@@H](CN4CCOCC4)C3)n2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)-c1cnnc(n1)N1CCC[C@H](C1)C[*:1]
C[C@H]1C[NH+](C[C@](CO)(NC2CC2)c2ccccc2)C[C@@H]1C c1ccc(cc1)[*:1] C[C@H]1C[NH+](C[C@@H]1C)C[C@](CO)(NC1CC1)[*:1]
C[C@H]1C[NH+](C[C@](CO)(NC2CC2)c2ccccc2)C[C@@H]1C C1CC1N[*:1] C[C@H]1C[NH+](C[C@@H]1C)C[C@](CO)(c1ccccc1)[*:1]
C[C@H]1C[NH+](C[C@](CO)(NC2CC2)c2ccccc2)C[C@@H]1C C1CC1[*:1] C[C@H]1C[NH+](C[C@@H]1C)C[C@](CO)(N[*:1])c1ccccc1
CCNC(=O)c1cccc(NC(=O)NCCC(N)=O)c1 NC(=O)C[*:1] CCNC(=O)c1cccc(c1)NC(=O)NC[*:1]
CCNC(=O)c1cccc(NC(=O)NCCC(N)=O)c1 CCNC(=O)[*:1] NC(=O)CCNC(=O)Nc1cccc(c1)[*:1]
CCNC(=O)c1cccc(NC(=O)NCCC(N)=O)c1 NC(=O)CC[*:1] CCNC(=O)c1cccc(c1)NC(=O)N[*:1]
CCNC(=O)c1cccc(NC(=O)NCCC(N)=O)c1 NC(=O)[*:1] CCNC(=O)c1cccc(c1)NC(=O)NCC[*:1]
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3cn4ccsc4n3)cc2)n1 c1cn2cc(C[*:1])nc2s1 Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3cn4ccsc4n3)cc2)n1 c1cn2cc(nc2s1)[*:1] Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3cn4ccsc4n3)cc2)n1 Cc1cc(C)nc(n1)[*:1] O=C(Cc1cn2ccsc2n1)Nc1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccc2cc3c(N)nn(C(=O)c4ccc([N+](=O)[O-])cc4Cl)c3nc2c1 O=[N+]([O-])[*:1] COc1ccc2cc3c(N)nn(C(=O)c4ccc(cc4Cl)[*:1])c3nc2c1
COc1cccc(CNC(=O)N(C)Cc2cccc(OC)c2OC)c1 COc1cccc(c1)[*:1] COc1cccc(CN(C)C(=O)NC[*:1])c1OC
CCCCNC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 c1ccc(cc1)C[*:1] CCCCNC(=O)[C@H]1CCCN(C1)c1nc2cccnc2n(c1=O)[*:1]
CCCCNC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 c1ccc(cc1)[*:1] CCCCNC(=O)[C@H]1CCCN(C1)c1nc2cccnc2n(C[*:1])c1=O
CCCCNC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 CCC[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nc2cccnc2n(Cc2ccccc2)c1=O
CCCCNC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 CCCCNC(=O)[*:1] O=c1c(nc2cccnc2n1Cc1ccccc1)N1CCC[C@@H](C1)[*:1]
CCCCNC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)C1 CCCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2cccnc2n(Cc2ccccc2)c1=O
COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C)o2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)[*:1]
COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C)o2)C2CCOCC2)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)[C@@H]([NH2+][C@@H](C)[*:1])C1CCOCC1
COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C)o2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(o1)[C@H](C)[NH2+][C@@H](C1CCOCC1)[*:1]
CC(C)Cc1cc(C(=O)OC[C@H]2CCCO2)[nH]n1 CC(C)[*:1] O=C(OC[C@H]1CCCO1)c1cc(C[*:1])n[nH]1
CC(C)Cc1cc(C(=O)OC[C@H]2CCCO2)[nH]n1 C1CO[C@H](C1)C[*:1] CC(C)Cc1cc([nH]n1)C(=O)O[*:1]
CC(C)Cc1cc(C(=O)OC[C@H]2CCCO2)[nH]n1 CC(C)C[*:1] O=C(OC[C@H]1CCCO1)c1cc(n[nH]1)[*:1]
CC(C)Cc1cc(C(=O)OC[C@H]2CCCO2)[nH]n1 C1CO[C@H](C1)[*:1] CC(C)Cc1cc([nH]n1)C(=O)OC[*:1]
Cc1ccccc1-c1noc(CN2CCN(C(=O)[C@H](C)OCC3CC3)CC2)n1 C1CC1C[*:1] Cc1ccccc1-c1noc(CN2CCN(CC2)C(=O)[C@H](C)O[*:1])n1
Cc1ccccc1-c1noc(CN2CCN(C(=O)[C@H](C)OCC3CC3)CC2)n1 C1CC1CO[*:1] Cc1ccccc1-c1noc(CN2CCN(CC2)C(=O)[C@H](C)[*:1])n1
Cc1ccccc1-c1noc(CN2CCN(C(=O)[C@H](C)OCC3CC3)CC2)n1 C1CC1[*:1] Cc1ccccc1-c1noc(CN2CCN(CC2)C(=O)[C@H](C)OC[*:1])n1
Cc1ccccc1-c1noc(CN2CCN(C(=O)[C@H](C)OCC3CC3)CC2)n1 Cc1ccccc1[*:1] C[C@H](OCC1CC1)C(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
C[C@H]([NH2+]CCN1CCN(C(=O)C2CCCC2)CC1)c1nccs1 C1CCC(C1)[*:1] C[C@H]([NH2+]CCN1CCN(CC1)C(=O)[*:1])c1nccs1
C[C@H]([NH2+]CCN1CCN(C(=O)C2CCCC2)CC1)c1nccs1 c1csc(n1)[*:1] C[C@H]([NH2+]CCN1CCN(CC1)C(=O)C1CCCC1)[*:1]
Cc1ccc(OCC(=O)Nn2cnc3sc4c(c3c2=O)CCCC4)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])Nn1cnc2sc3CCCCc3c2c1=O
Cc1ccc(OCC(=O)Nn2cnc3sc4c(c3c2=O)CCCC4)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])Nn1cnc2sc3CCCCc3c2c1=O
CSc1ccc(CCNC(=O)CCn2c(=O)c3cccn3c3cccnc32)cc1 CSc1ccc(cc1)C[*:1] O=C(CCn1c(=O)c2cccn2c2cccnc21)NC[*:1]
CSc1ccc(CCNC(=O)CCn2c(=O)c3cccn3c3cccnc32)cc1 CSc1ccc(cc1)[*:1] O=C(CCn1c(=O)c2cccn2c2cccnc21)NCC[*:1]
COc1ccccc1CN(C)C(=O)C[C@@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1CN(C)C(=O)C[C@@H](O)[*:1]
O=C(CNc1ccc(C(F)(F)F)cc1)N1CCc2ccccc21 FC(F)(F)[*:1] O=C(CNc1ccc(cc1)[*:1])N1CCc2ccccc21
CC(=O)CC(=O)Nc1cc2c(cc1C)cc(-c1ccccc1)n2C CC(=O)[*:1] Cc1cc2cc(-c3ccccc3)n(C)c2cc1NC(=O)C[*:1]
CC(=O)CC(=O)Nc1cc2c(cc1C)cc(-c1ccccc1)n2C CC(=O)CC(=O)N[*:1] Cc1cc2cc(-c3ccccc3)n(C)c2cc1[*:1]
CC(=O)CC(=O)Nc1cc2c(cc1C)cc(-c1ccccc1)n2C c1ccc(cc1)[*:1] CC(=O)CC(=O)Nc1cc2c(cc1C)cc(n2C)[*:1]
CC(=O)CC(=O)Nc1cc2c(cc1C)cc(-c1ccccc1)n2C CC(=O)C[*:1] Cc1cc2cc(-c3ccccc3)n(C)c2cc1NC(=O)[*:1]
NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)/C(=N/c2cccc(C(F)(F)F)c2)S1 FC(F)(F)[*:1] NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)/C(=N/c2cccc(c2)[*:1])S1
NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)/C(=N/c2cccc(C(F)(F)F)c2)S1 NC(=O)[*:1] O=C1C[C@@H](S/C(=N\c2cccc(c2)C(F)(F)F)N1Cc1ccccc1Cl)[*:1]
NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)/C(=N/c2cccc(C(F)(F)F)c2)S1 Clc1ccccc1C[*:1] NC(=O)[C@H]1CC(=O)N(/C(=N/c2cccc(c2)C(F)(F)F)S1)[*:1]
NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)/C(=N/c2cccc(C(F)(F)F)c2)S1 Clc1ccccc1[*:1] NC(=O)[C@H]1CC(=O)N(C[*:1])/C(=N/c2cccc(c2)C(F)(F)F)S1
C=CCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1OCC CCO[*:1] C=CCOc1ccc(/C=C2\N=C(OC2=O)c2cccc(Cl)c2)cc1[*:1]
C=CCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1OCC C=CC[*:1] CCOc1cc(/C=C2\N=C(OC2=O)c2cccc(Cl)c2)ccc1O[*:1]
C=CCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1OCC C=CCO[*:1] CCOc1cc(/C=C2\N=C(OC2=O)c2cccc(Cl)c2)ccc1[*:1]
C=CCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1OCC Clc1cccc(c1)[*:1] C=CCOc1ccc(/C=C2\N=C(OC2=O)[*:1])cc1OCC
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] C[C@H]1C[C@@H](CN1C(=O)c1ccc(nc1)[*:1])c1ccc(F)cc1
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(OCC(F)F)nc1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1C(=O)c1ccc(nc1)OCC(F)F)[*:1]
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(OCC(F)F)nc1 FC(F)[*:1] C[C@H]1C[C@@H](CN1C(=O)c1ccc(nc1)OC[*:1])c1ccc(F)cc1
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] C[C@H]1C[C@@H](CN1C(=O)c1ccc(nc1)O[*:1])c1ccc(F)cc1
CC(C)CN1C(N)=[NH+]C[C@@]1(C)c1ccc(F)c(Br)c1 CC(C)C[*:1] C[C@]1(C[NH+]=C(N)N1[*:1])c1ccc(F)c(Br)c1
CC(C)CN1C(N)=[NH+]C[C@@]1(C)c1ccc(F)c(Br)c1 CC(C)[*:1] C[C@]1(C[NH+]=C(N)N1C[*:1])c1ccc(F)c(Br)c1
c1ccc(CCSc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 c1ccc(cc1)CC[*:1] c1cncc(c1)-c1nc2c3ccccc3nc(S[*:1])n2n1
c1ccc(CCSc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 c1cncc(c1)[*:1] c1ccc(cc1)CCSc1nc2ccccc2c2nc(nn12)[*:1]
c1ccc(CCSc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 c1ccc(cc1)C[*:1] c1cncc(c1)-c1nc2c3ccccc3nc(SC[*:1])n2n1
c1ccc(CCSc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 c1ccc(cc1)[*:1] c1cncc(c1)-c1nc2c3ccccc3nc(SCC[*:1])n2n1
c1ccc(CCSc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 c1ccc(cc1)CCS[*:1] c1cncc(c1)-c1nc2c3ccccc3nc(n2n1)[*:1]
O=C(NCc1ccccn1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(NCc1ccccn1)[*:1]
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](N(C)Cc1nc3ccccc3s1)CC2 c1coc(c1)[*:1] CN(C[*:1])C(=O)c1nn(C)c2CC[C@@H](Cc12)N(C)Cc1nc2ccccc2s1
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](N(C)Cc1nc3ccccc3s1)CC2 CN(Cc1ccco1)C(=O)[*:1] CN(Cc1nc2ccccc2s1)[C@H]1CCc2c(C1)c(nn2C)[*:1]
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](N(C)Cc1nc3ccccc3s1)CC2 c1ccc2sc(C[*:1])nc2c1 CN(Cc1ccco1)C(=O)c1nn(C)c2CC[C@@H](Cc12)N(C)[*:1]
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](N(C)Cc1nc3ccccc3s1)CC2 c1ccc2sc(nc2c1)[*:1] CN(Cc1ccco1)C(=O)c1nn(C)c2CC[C@@H](Cc12)N(C)C[*:1]
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](N(C)Cc1nc3ccccc3s1)CC2 c1coc(c1)C[*:1] CN(Cc1nc2ccccc2s1)[C@H]1CCc2c(C1)c(nn2C)C(=O)N(C)[*:1]
O=c1ccc(Br)cn1CCCOc1ccccc1 c1ccc(cc1)[*:1] O=c1ccc(Br)cn1CCCO[*:1]
CN(CC(N)=O)C(=O)C[C@@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C O=C(N1CCOCC1)[*:1] CN(CC(N)=O)C(=O)C[C@@H]1COc2ccc(cc2N1C)[*:1]
CN(CC(N)=O)C(=O)C[C@@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C NC(=O)C[*:1] CN1c2cc(ccc2OC[C@H]1CC(=O)N(C)[*:1])C(=O)N1CCOCC1
CN(CC(N)=O)C(=O)C[C@@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C CN(CC(N)=O)C(=O)[*:1] CN1c2cc(ccc2OC[C@H]1C[*:1])C(=O)N1CCOCC1
CN(CC(N)=O)C(=O)C[C@@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C CN(CC(N)=O)C(=O)C[*:1] CN1c2cc(ccc2OC[C@H]1[*:1])C(=O)N1CCOCC1
CN(CC(N)=O)C(=O)C[C@@H]1COc2ccc(C(=O)N3CCOCC3)cc2N1C NC(=O)[*:1] CN(C[*:1])C(=O)C[C@@H]1COc2ccc(cc2N1C)C(=O)N1CCOCC1
CC(C)CN(c1c(F)c(F)nc(F)c1F)C1CCCC1 CC(C)C[*:1] Fc1nc(F)c(F)c(c1F)N(C1CCCC1)[*:1]
CC(C)CN(c1c(F)c(F)nc(F)c1F)C1CCCC1 CC(C)[*:1] Fc1nc(F)c(F)c(c1F)N(C[*:1])C1CCCC1
CC(C)CN(c1c(F)c(F)nc(F)c1F)C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(c1c(F)c(F)nc(F)c1F)[*:1]
O=C(OCC(=O)N1CCc2ccccc21)c1cc(Cl)sc1Cl Clc1cc(c(Cl)s1)[*:1] O=C(COC(=O)[*:1])N1CCc2ccccc21
C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC(C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC(C1)[*:1]
C[C@H](NC(=O)CN(C)CC(C)(C)C[NH3+])c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)CN(C)CC(C)(C)C[NH3+])[*:1]
CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O C1CO[C@@H](C1)[*:1] CCN(C[*:1])C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O
CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCN(C1=O)[*:1]
CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O C1CO[C@@H](C1)C[*:1] CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCN(C[*:1])C1=O
CCc1cccc(C(=O)NCCc2ncc(C)s2)c1O Cc1cnc(s1)[*:1] CCc1cccc(C(=O)NCC[*:1])c1O
CC(C)C[C@H]1C[C@@H](C(=O)NCc2ccccc2)[C@]2(N1)C(=O)Nc1ccccc12 CC(C)[*:1] O=C(NCc1ccccc1)[C@@H]1C[C@H](C[*:1])N[C@]12C(=O)Nc1ccccc12
CC(C)C[C@H]1C[C@@H](C(=O)NCc2ccccc2)[C@]2(N1)C(=O)Nc1ccccc12 c1ccc(cc1)C[*:1] CC(C)C[C@H]1C[C@@H](C(=O)N[*:1])[C@]2(N1)C(=O)Nc1ccccc12
CC(C)C[C@H]1C[C@@H](C(=O)NCc2ccccc2)[C@]2(N1)C(=O)Nc1ccccc12 c1ccc(cc1)[*:1] CC(C)C[C@H]1C[C@@H](C(=O)NC[*:1])[C@]2(N1)C(=O)Nc1ccccc12
CC(C)C[C@H]1C[C@@H](C(=O)NCc2ccccc2)[C@]2(N1)C(=O)Nc1ccccc12 CC(C)C[*:1] O=C(NCc1ccccc1)[C@@H]1C[C@@H](N[C@]12C(=O)Nc1ccccc12)[*:1]
Cc1csc([C@@H](C)NC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)n1 CC(C)c1nccn1[*:1] Cc1csc(n1)[C@@H](C)NC(=O)Nc1cccc(c1)C[*:1]
Cc1csc([C@@H](C)NC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)n1 CC(C)c1nccn1C[*:1] Cc1csc(n1)[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
Cc1csc([C@@H](C)NC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)n1 CC(C)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)Nc1cccc(c1)Cn1ccnc1[*:1]
Cc1csc([C@@H](C)NC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)n1 Cc1csc(n1)[*:1] CC(C)c1nccn1Cc1cccc(c1)NC(=O)N[C@H](C)[*:1]
CCS(=O)(=O)c1ccc2oc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)nc2c1 O=C(N1CCCC1)[*:1] CCS(=O)(=O)c1ccc2oc(nc2c1)S[C@@H](c1ccccc1)[*:1]
CCS(=O)(=O)c1ccc2oc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)nc2c1 CCS(=O)(=O)[*:1] O=C([C@H](Sc1nc2cc(ccc2o1)[*:1])c1ccccc1)N1CCCC1
CCS(=O)(=O)c1ccc2oc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)nc2c1 c1ccc(cc1)[*:1] CCS(=O)(=O)c1ccc2oc(nc2c1)S[C@@H](C(=O)N1CCCC1)[*:1]
O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])NCc1cnn(c1)-c1ccccc1
O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccccc1)NCc1cnn(c1)[*:1]
O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1cnn(-c2ccccc2)c1 O=C(N[*:1])c1ccccc1 O=C(Cc1csc(n1)[*:1])NCc1cnn(c1)-c1ccccc1
CCCNC(=O)C1CCN(c2ncccc2NC(=O)c2ccc(C)s2)CC1 CCC[*:1] Cc1ccc(s1)C(=O)Nc1cccnc1N1CCC(CC1)C(=O)N[*:1]
CCCNC(=O)C1CCN(c2ncccc2NC(=O)c2ccc(C)s2)CC1 CCCNC(=O)[*:1] Cc1ccc(s1)C(=O)Nc1cccnc1N1CCC(CC1)[*:1]
CCCNC(=O)C1CCN(c2ncccc2NC(=O)c2ccc(C)s2)CC1 Cc1ccc(s1)C(=O)N[*:1] CCCNC(=O)C1CCN(CC1)c1ncccc1[*:1]
CCCNC(=O)C1CCN(c2ncccc2NC(=O)c2ccc(C)s2)CC1 Cc1ccc(s1)[*:1] CCCNC(=O)C1CCN(CC1)c1ncccc1NC(=O)[*:1]
CCCN(C)C(=O)c1cc(COc2ccc(F)c(F)c2)on1 CCCN(C)C(=O)[*:1] Fc1ccc(cc1F)OCc1cc(no1)[*:1]
CCCN(C)C(=O)c1cc(COc2ccc(F)c(F)c2)on1 CCC[*:1] CN(C(=O)c1cc(COc2ccc(F)c(F)c2)on1)[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCOCC1 C[C@@H]1C[C@@H]1[*:1] O=C([C@H]1CCCN1C(=O)[*:1])N1CCOCC1
CC(=O)N1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 Clc1ccc(cc1)[*:1] CC(=O)N1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(=NN12)[*:1]
O=C(NCCc1ccccn1)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 c1ccc(C[*:1])nc1 O=C(NCc1cccc(c1)NC(=O)[C@H]1CCCO1)NC[*:1]
O=C(NCCc1ccccn1)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 O=C(N[*:1])[C@H]1CCCO1 O=C(NCCc1ccccn1)NCc1cccc(c1)[*:1]
O=C(NCCc1ccccn1)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 c1ccc(nc1)[*:1] O=C(NCC[*:1])NCc1cccc(c1)NC(=O)[C@H]1CCCO1
O=C(NCCc1ccccn1)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 c1ccc(CC[*:1])nc1 O=C(NCc1cccc(c1)NC(=O)[C@H]1CCCO1)N[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 Fc1ccc(cc1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)c1nn(c2CCCc12)[*:1]
Cc1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)c(C)c1 Cc1csc(n1)[*:1] Cc1ccc(C(=O)[C@H](C#N)[*:1])c(C)c1
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)NC)cn2C)cc1OC CCO[*:1] CNS(=O)(=O)c1cc(C(=O)Nc2ccc(c(c2)OC)[*:1])n(C)c1
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)NC)cn2C)cc1OC CNS(=O)(=O)[*:1] CCOc1ccc(cc1OC)NC(=O)c1cc(cn1C)[*:1]
CC(C)CC/C([O-])=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] CC(C)CC/C([O-])=C(/C#N)C(=O)Nc1ccc(cc1)[*:1]
CC(C)CC/C([O-])=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1 CC(C)CC[*:1] N#C/C(C(=O)Nc1ccc(cc1)SC(F)F)=C(\[O-])[*:1]
CC(C)CC/C([O-])=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] CC(C)CC/C([O-])=C(/C#N)C(=O)Nc1ccc(cc1)S[*:1]
CC(C)CC/C([O-])=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1 CC(C)C[*:1] N#C/C(C(=O)Nc1ccc(cc1)SC(F)F)=C(\[O-])C[*:1]
CC(C)CC/C([O-])=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1 CC(C)[*:1] N#C/C(C(=O)Nc1ccc(cc1)SC(F)F)=C(\[O-])CC[*:1]
Cc1ccc2c(c1C)N(CCOc1ccc(Cl)cc1)C(=O)/C2=N\O Clc1ccc(cc1)[*:1] Cc1ccc2/C(=N/O)C(=O)N(CCO[*:1])c2c1C
Cc1ccc2c(c1C)N(CCOc1ccc(Cl)cc1)C(=O)/C2=N\O Clc1ccc(cc1)O[*:1] Cc1ccc2/C(=N/O)C(=O)N(CC[*:1])c2c1C
C=CCn1c(SCC(=O)N2CCC[C@H](C)C2)nc2scc(-c3ccccc3)c2c1=O C=CC[*:1] C[C@H]1CCCN(C1)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1[*:1]
C=CCn1c(SCC(=O)N2CCC[C@H](C)C2)nc2scc(-c3ccccc3)c2c1=O c1ccc(cc1)[*:1] C=CCn1c(nc2scc(c2c1=O)[*:1])SCC(=O)N1CCC[C@H](C)C1
COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O Clc1ccccc1[*:1] COc1ccccc1NC(=O)Cn1cnc2c(cnn2[*:1])c1=O
COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O COc1ccccc1[*:1] O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N[*:1]
Cc1ccc(OC(=O)CCOc2cccc(C(N)=O)c2)c(C)c1 NC(=O)[*:1] Cc1ccc(OC(=O)CCOc2cccc(c2)[*:1])c(C)c1
Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(CS(=O)(=O)c4ccccc4)s3)CC2=O)cc1C O=S(=O)(C[*:1])c1ccccc1 Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(CS(=O)(=O)c4ccccc4)s3)CC2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)Nc1nnc(CS(=O)(=O)[*:1])s1
Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(CS(=O)(=O)c4ccccc4)s3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)s1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(CS(=O)(=O)c4ccccc4)s3)CC2=O)cc1C O=S(=O)(c1ccccc1)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)Nc1nnc(C[*:1])s1
COc1ccc(C(C)=O)c(OC(=O)Cc2ccc(F)c(F)c2)c1 CC(=O)[*:1] COc1ccc(c(c1)OC(=O)Cc1ccc(F)c(F)c1)[*:1]
COC(OC)[C@@H](C)n1c(S)nc2ccccc2c1=O COC(OC)[*:1] C[C@@H](n1c(S)nc2ccccc2c1=O)[*:1]
COCCNC(=O)CNc1nc2ccccn2c1[N+](=O)[O-] COCC[*:1] O=C(CNc1nc2ccccn2c1[N+](=O)[O-])N[*:1]
COCCNC(=O)CNc1nc2ccccn2c1[N+](=O)[O-] COC[*:1] O=C(CNc1nc2ccccn2c1[N+](=O)[O-])NC[*:1]
COCCNC(=O)CNc1nc2ccccn2c1[N+](=O)[O-] COCCNC(=O)[*:1] O=[N+]([O-])c1c(nc2ccccn12)NC[*:1]
COCCNC(=O)CNc1nc2ccccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] COCCNC(=O)CNc1nc2ccccn2c1[*:1]
COc1ccccc1CC(=O)N1CSC[C@H]1C(=O)NCCC(C)C CC(C)[*:1] COc1ccccc1CC(=O)N1CSC[C@H]1C(=O)NCC[*:1]
COc1ccccc1CC(=O)N1CSC[C@H]1C(=O)NCCC(C)C COc1ccccc1[*:1] CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)C[*:1]
COc1ccccc1CC(=O)N1CSC[C@H]1C(=O)NCCC(C)C CC(C)CC[*:1] COc1ccccc1CC(=O)N1CSC[C@H]1C(=O)N[*:1]
COc1ccccc1CC(=O)N1CSC[C@H]1C(=O)NCCC(C)C CC(C)C[*:1] COc1ccccc1CC(=O)N1CSC[C@H]1C(=O)NC[*:1]
COc1ccccc1CC(=O)N1CSC[C@H]1C(=O)NCCC(C)C CC(C)CCNC(=O)[*:1] COc1ccccc1CC(=O)N1CSC[C@@H]1[*:1]
Cc1ncccc1NC(=O)[C@@H](C)OCC(F)(F)F FC(F)(F)CO[*:1] Cc1ncccc1NC(=O)[C@@H](C)[*:1]
Cc1ncccc1NC(=O)[C@@H](C)OCC(F)(F)F FC(F)(F)C[*:1] Cc1ncccc1NC(=O)[C@@H](C)O[*:1]
Cc1ncccc1NC(=O)[C@@H](C)OCC(F)(F)F FC(F)(F)[*:1] Cc1ncccc1NC(=O)[C@@H](C)OC[*:1]
CCCCNC(=O)c1sc(-c2cccs2)nc1C CCCC[*:1] Cc1nc(sc1C(=O)N[*:1])-c1cccs1
CCCCNC(=O)c1sc(-c2cccs2)nc1C CCC[*:1] Cc1nc(sc1C(=O)NC[*:1])-c1cccs1
CCCCNC(=O)c1sc(-c2cccs2)nc1C c1csc(c1)[*:1] CCCCNC(=O)c1sc(nc1C)[*:1]
COc1ccc(C(C)(C)CNC(=O)C2CCCCCC2)cc1OC C1CCCC(CC1)[*:1] COc1ccc(cc1OC)C(C)(C)CNC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1CNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2C)cc1 Cc1ccccc1C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCO[C@@H]1CNC(=O)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2C)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCO[C@@H]1CNC(=O)C(=O)NC[*:1]
CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O CC[C@H](C)NC(=O)[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1[*:1]
[NH3+]C[C@@]1([C@]2(O)CCC[C@@H](C3CC3)C2)CCOC1 C1CC1[*:1] [NH3+]C[C@]1(CCOC1)[C@]1(O)CCC[C@@H](C1)[*:1]
Cc1c(Cl)nnc(N(C)CCS(C)(=O)=O)c1C CS(=O)(=O)[*:1] Cc1c(Cl)nnc(c1C)N(C)CC[*:1]
Cc1c(Cl)nnc(N(C)CCS(C)(=O)=O)c1C CS(=O)(=O)C[*:1] Cc1c(Cl)nnc(c1C)N(C)C[*:1]
Cc1ccccc1-n1nc(N)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccccc1-n1nc(N)cc1[*:1]
CC[C@](C)(NC(=O)N1CCC[C@@H]1C)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)N1CCC[C@@H]1C)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC1(SC)CCOCC1 CSC1(CCOCC1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)NC[*:1]
C[C@@H]1CN(Cc2csc(-c3ccccc3)n2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(Cc2csc(n2)[*:1])C[C@@H](C)O1
CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)cc21 Clc1ccc(cc1)[*:1] CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(cc21)C(=O)NC[*:1]
CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)cc21 Clc1ccc(cc1)C[*:1] CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(cc21)C(=O)N[*:1]
Cc1cc(Br)cnc1N1CCCC[C@@H]1CCCl ClCC[*:1] Cc1cc(Br)cnc1N1CCCC[C@H]1[*:1]
O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 Fc1ccc(cc1Cl)[*:1] O=C(N[*:1])c1ccc(cc1)Oc1nccnc1N1CCOCC1
O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)c1ccc(cc1)Oc1nccnc1[*:1]
N#C[C@H](C(=O)c1ccc(OCC2CC2)cc1)c1nnc2n1CCCCC2 C1CC1CO[*:1] N#C[C@H](C(=O)c1ccc(cc1)[*:1])c1nnc2CCCCCn21
N#C[C@H](C(=O)c1ccc(OCC2CC2)cc1)c1nnc2n1CCCCC2 C1CC1C[*:1] N#C[C@H](C(=O)c1ccc(cc1)O[*:1])c1nnc2CCCCCn21
N#C[C@H](C(=O)c1ccc(OCC2CC2)cc1)c1nnc2n1CCCCC2 C1CC1[*:1] N#C[C@H](C(=O)c1ccc(cc1)OC[*:1])c1nnc2CCCCCn21
CC[C@H](C)Oc1ccc(NC(=O)N[C@H](C)c2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)N[C@H](C)[*:1]
CC[C@H](C)Oc1ccc(NC(=O)N[C@H](C)c2c(C)noc2C)cc1 CC[C@H](C)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(cc1)O[*:1]
CC[C@H](C)Oc1ccc(NC(=O)N[C@H](C)c2c(C)noc2C)cc1 CC[C@H](C)O[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
CCOc1c(Br)cc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC c1nnnn1[*:1] CCOc1c(Br)cc(cc1OC)C(=O)Nc1ccc(cc1)[*:1]
CCOc1c(Br)cc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])C(=O)Nc1ccc(cc1)-n1cnnn1
COC(=O)C(C)(C)CSc1nnc(C[NH3+])n1C1CC1 COC(=O)[*:1] CC(C)(CSc1nnc(C[NH3+])n1C1CC1)[*:1]
COC(=O)C(C)(C)CSc1nnc(C[NH3+])n1C1CC1 C1CC1[*:1] COC(=O)C(C)(C)CSc1nnc(C[NH3+])n1[*:1]
CC(=O)Nc1ccccc1CN1CCOC2(CCCC2)C1 CC(=O)N[*:1] c1ccc(c(c1)CN1CCOC2(CCCC2)C1)[*:1]
CCOc1cc(Nc2ccc(S(=O)(=O)C(F)F)cc2)ccc1OC FC(F)[*:1] CCOc1cc(ccc1OC)Nc1ccc(cc1)S(=O)(=O)[*:1]
CCOc1cc(Nc2ccc(S(=O)(=O)C(F)F)cc2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])Nc1ccc(cc1)S(=O)(=O)C(F)F
CCOc1cc(Nc2ccc(S(=O)(=O)C(F)F)cc2)ccc1OC O=S(=O)(C(F)F)[*:1] CCOc1cc(ccc1OC)Nc1ccc(cc1)[*:1]
CC(=O)c1cccc(NC(=O)Cn2nc3c(N(C)C)nc4ccccc4n3c2=O)c1 CN(C)[*:1] CC(=O)c1cccc(c1)NC(=O)Cn1nc2c(nc3ccccc3n2c1=O)[*:1]
CC(=O)c1cccc(NC(=O)Cn2nc3c(N(C)C)nc4ccccc4n3c2=O)c1 CC(=O)[*:1] CN(C)c1nc2ccccc2n2c(=O)n(CC(=O)Nc3cccc(c3)[*:1])nc12
CC(=O)c1cccc(NC(=O)Cn2nc3c(N(C)C)nc4ccccc4n3c2=O)c1 CC(=O)c1cccc(c1)[*:1] CN(C)c1nc2ccccc2n2c(=O)n(CC(=O)N[*:1])nc12
COc1ccc(C(=O)Nc2cccc(SC)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cccc(c1)SC
COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] COC(=O)c1ccc(cc1)C(=O)NNC(=O)[*:1]
COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 COC(=O)[*:1] O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(cc1)[*:1]
O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)NCCC1=CCCCC1 Fc1ccc(cc1)[*:1] O=C(CSc1nn(c(=S)s1)[*:1])NCCC1=CCCCC1
Cc1cccc(OCCn2c([C@@H](C)NC(=O)c3cccnc3)nc3ccccc32)c1C Cc1cccc(OC[*:1])c1C C[C@@H](NC(=O)c1cccnc1)c1nc2ccccc2n1C[*:1]
Cc1cccc(OCCn2c([C@@H](C)NC(=O)c3cccnc3)nc3ccccc32)c1C c1cncc(c1)[*:1] Cc1cccc(OCCn2c(nc3ccccc32)[C@@H](C)NC(=O)[*:1])c1C
Cc1cccc(OCCn2c([C@@H](C)NC(=O)c3cccnc3)nc3ccccc32)c1C Cc1cccc(c1C)[*:1] C[C@@H](NC(=O)c1cccnc1)c1nc2ccccc2n1CCO[*:1]
Cc1cccc(OCCn2c([C@@H](C)NC(=O)c3cccnc3)nc3ccccc32)c1C O=C(N[*:1])c1cccnc1 Cc1cccc(OCCn2c(nc3ccccc32)[C@@H](C)[*:1])c1C
Cc1cccc(OCCn2c([C@@H](C)NC(=O)c3cccnc3)nc3ccccc32)c1C Cc1cccc(O[*:1])c1C C[C@@H](NC(=O)c1cccnc1)c1nc2ccccc2n1CC[*:1]
Cc1ccccc1-n1cc(C(=O)N(C)[C@@H]2CCC[C@H]2S(C)(=O)=O)cn1 Cc1ccccc1[*:1] CN(C(=O)c1cnn(c1)[*:1])[C@@H]1CCC[C@H]1S(C)(=O)=O
Cc1ccccc1-n1cc(C(=O)N(C)[C@@H]2CCC[C@H]2S(C)(=O)=O)cn1 CS(=O)(=O)[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N(C)[C@@H]1CCC[C@@H]1[*:1]
Cc1cc(NC(=O)NCCCSc2nc3ccccc3o2)no1 Cc1cc(no1)[*:1] O=C(NCCCSc1nc2ccccc2o1)N[*:1]
O=C(Nc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCC[C@H]1C(=O)[O-] Fc1ccc(cc1)[*:1] O=C(Nc1ccccc1C(=O)N1CCN(CC1)[*:1])[C@H]1CCCC[C@H]1C(=O)[O-]
O=C(Nc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1ccccc1C(=O)N1CCN(CC1)c1ccc(F)cc1)[C@H]1CCCC[C@@H]1[*:1]
COCc1ccccc1NC(=O)C(=O)NC[C@H](C)C#N COC[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccccc1[*:1]
Nc1cccc(-c2[nH+]ccn2[C@@H]2CCOC3(CCC3)C2)c1 Nc1cccc(c1)[*:1] c1cn(c([nH+]1)[*:1])[C@@H]1CCOC2(CCC2)C1
COC(=O)CCSc1cccc(NC(=O)N2C[C@H](C)CC[C@H]2C)c1 COC(=O)C[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)Nc1cccc(c1)SC[*:1]
COC(=O)CCSc1cccc(NC(=O)N2C[C@H](C)CC[C@H]2C)c1 COC(=O)[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)Nc1cccc(c1)SCC[*:1]
COC(=O)CCSc1cccc(NC(=O)N2C[C@H](C)CC[C@H]2C)c1 COC(=O)CC[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)Nc1cccc(c1)S[*:1]
COC(=O)CCSc1cccc(NC(=O)N2C[C@H](C)CC[C@H]2C)c1 COC(=O)CCS[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)Nc1cccc(c1)[*:1]
CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 CCO[*:1] O=C1c2ccccc2N[C@H](c2ccc(cc2)[*:1])N1C[C@@H]1CCCO1
CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CCOc1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] CCOc1ccc(cc1)[C@H]1Nc2ccccc2C(=O)N1[*:1]
Cc1c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCN(CC1)C(=O)[C@H]1CCCO1
Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] Cc1ccc(cc1OCC(=O)Nc1ccccc1[*:1])C(C)C
Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1N1CCCC1=O CC(C)[*:1] Cc1ccc(cc1OCC(=O)Nc1ccccc1N1CCCC1=O)[*:1]
COc1ccc2c(CC(=O)[C@@H](C#N)c3ccccn3)coc2c1 c1ccc(nc1)[*:1] COc1ccc2c(coc2c1)CC(=O)[C@@H](C#N)[*:1]
CCCC[C@@H](C)NC(=O)[C@](C)([NH3+])CC CCCC[*:1] CC[C@@](C)([NH3+])C(=O)N[C@H](C)[*:1]
CCCC[C@@H](C)NC(=O)[C@](C)([NH3+])CC CCC[*:1] CC[C@@](C)([NH3+])C(=O)N[C@H](C)C[*:1]
Cc1ccnc(NC(=O)c2ccc3nc4c(nc3c2)[C@H]2CC[C@@H]4C2)c1 Cc1ccnc(c1)[*:1] O=C(N[*:1])c1ccc2nc3c(nc2c1)[C@H]1CC[C@@H]3C1
O=c1c2nnc(-c3ccc(Cl)cc3)n2ccn1-c1ccc(F)cc1 Clc1ccc(cc1)[*:1] O=c1c2nnc(n2ccn1-c1ccc(F)cc1)[*:1]
O=c1c2nnc(-c3ccc(Cl)cc3)n2ccn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=c1c2nnc(-c3ccc(Cl)cc3)n2ccn1[*:1]
Cc1ccccc1[C@H]1CN(Cc2c[nH]nc2-c2ccccc2F)CCO1 Fc1ccccc1[*:1] Cc1ccccc1[C@H]1CN(CCO1)Cc1c[nH]nc1[*:1]
Cc1ccccc1[C@H]1CN(Cc2c[nH]nc2-c2ccccc2F)CCO1 Cc1ccccc1[*:1] Fc1ccccc1-c1n[nH]cc1CN1CCO[C@H](C1)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1-n1cncn1 c1ncn(n1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1[*:1]
CN1C(=O)[C@@](C)(C(=O)N[C@H]2CCS(=O)(=O)C2)Sc2ccccc21 O=S1(=O)CC[C@@H](C1)[*:1] CN1C(=O)[C@](C)(Sc2ccccc21)C(=O)N[*:1]
CCCN1C(=O)C(=O)N(CN2CC[NH+](C3CCCC3)CC2)C1=O C1CCC(C1)[*:1] CCCN1C(=O)C(=O)N(CN2CC[NH+](CC2)[*:1])C1=O
CCCN1C(=O)C(=O)N(CN2CC[NH+](C3CCCC3)CC2)C1=O CCC[*:1] O=C1C(=O)N(C(=O)N1CN1CC[NH+](CC1)C1CCCC1)[*:1]
Cn1cc(CNc2ncnc3c2CCN(C(=O)[C@H]2CCCO2)CC3)cn1 Cn1cc(cn1)C[*:1] O=C([C@H]1CCCO1)N1CCc2ncnc(N[*:1])c2CC1
Cn1cc(CNc2ncnc3c2CCN(C(=O)[C@H]2CCCO2)CC3)cn1 Cn1cc(cn1)CN[*:1] O=C([C@H]1CCCO1)N1CCc2ncnc(c2CC1)[*:1]
Cn1cc(CNc2ncnc3c2CCN(C(=O)[C@H]2CCCO2)CC3)cn1 Cn1cc(cn1)[*:1] O=C([C@H]1CCCO1)N1CCc2ncnc(NC[*:1])c2CC1
CC(=O)N[C@@H](CC(=O)N[C@H](c1ccccc1)C(C)C)c1ccccc1 CC(C)[*:1] CC(=O)N[C@@H](CC(=O)N[C@H](c1ccccc1)[*:1])c1ccccc1
CC(=O)N[C@@H](CC(=O)N[C@H](c1ccccc1)C(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N[C@H](c1ccccc1)C(C)C)[*:1]
CC(=O)N[C@@H](CC(=O)N[C@H](c1ccccc1)C(C)C)c1ccccc1 CC(=O)N[*:1] CC(C)[C@H](NC(=O)C[C@@H](c1ccccc1)[*:1])c1ccccc1
CC(=O)N[C@@H](CC(=O)N[C@H](c1ccccc1)C(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N[C@H](C(C)C)[*:1])c1ccccc1
S=c1sc(SCC2CCOCC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] S=c1sc(nn1[*:1])SCC1CCOCC1
S=c1sc(SCC2CCOCC2)nn1-c1ccccc1 C1CC(CCO1)[*:1] S=c1sc(nn1-c1ccccc1)SC[*:1]
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C=O)cc1 NS(=O)(=O)[*:1] O=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)[*:1]
CCN1C[C@@H](CCN2CCOCC2)[C@H](c2ccccc2)C1=O C1CN(CCO1)[*:1] CCN1C[C@@H](CC[*:1])[C@@H](C1=O)c1ccccc1
CCN1C[C@@H](CCN2CCOCC2)[C@H](c2ccccc2)C1=O c1ccc(cc1)[*:1] CCN1C[C@@H](CCN2CCOCC2)[C@H](C1=O)[*:1]
CCN1C[C@@H](CCN2CCOCC2)[C@H](c2ccccc2)C1=O C1CN(CCO1)C[*:1] CCN1C[C@@H](C[*:1])[C@@H](C1=O)c1ccccc1
CCOc1ncccc1CNC(=O)N1C[C@@H](C)C[C@@H](C)C1 CCO[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)NCc1cccnc1[*:1]
COc1ccc(N(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C(=O)c2ccco2)cc1 COc1ccc(cc1)[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN(C(=O)c1ccco1)[*:1]
COc1ccc(N(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C(=O)c2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)N(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)[*:1]
Cc1ccccc1NC(=O)NC[C@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1 Cc1ccccc1[*:1] O=C(NC[C@H](c1cccnc1)N1CC[NH+](CC1)Cc1ccccc1)N[*:1]
Cc1ccccc1NC(=O)NC[C@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1 c1cncc(c1)[*:1] Cc1ccccc1NC(=O)NC[C@H](N1CC[NH+](CC1)Cc1ccccc1)[*:1]
Cc1ccccc1NC(=O)NC[C@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)NC[C@H](c1cccnc1)N1CC[NH+](CC1)C[*:1]
Cc1ccccc1NC(=O)NC[C@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1ccccc1NC(=O)NC[C@H](c1cccnc1)N1CC[NH+](CC1)[*:1]
COc1ccc(C)cc1[C@@H](C)Nc1nc(C(C)C)ns1 CC(C)[*:1] COc1ccc(C)cc1[C@@H](C)Nc1nc(ns1)[*:1]
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3ncccc3c2)cc1 O=[N+]([O-])[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc2ncccc2c1
Cc1ncsc1-c1nc(-c2ccc(O)cc2)no1 Cc1ncsc1[*:1] Oc1ccc(cc1)-c1noc(n1)[*:1]
O=C(CSc1ccccc1C(=O)NC1CCCCC1)NCC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1ccccc1C(=O)NC1CCCCC1)NC[*:1]
O=C(CSc1ccccc1C(=O)NC1CCCCC1)NCC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(CSc1ccccc1[*:1])NCC1CCCCC1
O=C(CSc1ccccc1C(=O)NC1CCCCC1)NCC1CCCCC1 C1CCC(CC1)C[*:1] O=C(CSc1ccccc1C(=O)NC1CCCCC1)N[*:1]
O=C(CSc1ccccc1C(=O)NC1CCCCC1)NCC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1ccccc1C(=O)N[*:1])NCC1CCCCC1
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccc[nH]2)C1 c1c[nH]c(c1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@H](C#N)C(C)C CC(C)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[C@H](C#N)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@H](C#N)C(C)C CC(C)[C@@H](C#N)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[*:1]
Cc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3c(C)noc3C)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1noc(C)c1CN(C)C(=O)N[C@@H]1CCN(C1=O)[*:1]
Cc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3c(C)noc3C)C2=O)cc1 Cc1noc(C)c1C[*:1] Cc1ccc(cc1)N1CC[C@@H](NC(=O)N(C)[*:1])C1=O
Cc1ccc(N2CC[C@@H](NC(=O)N(C)Cc3c(C)noc3C)C2=O)cc1 Cc1noc(C)c1[*:1] Cc1ccc(cc1)N1CC[C@@H](NC(=O)N(C)C[*:1])C1=O
C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1nc(C(C)(C)C)no1 O=C1CCCCN1[*:1] C[C@@H](Nc1cccc(c1)C[*:1])c1nc(no1)C(C)(C)C
C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](Nc1cccc(c1)CN1CCCCC1=O)c1nc(no1)[*:1]
C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1nc(C(C)(C)C)no1 O=C1CCCCN1C[*:1] C[C@@H](Nc1cccc(c1)[*:1])c1nc(no1)C(C)(C)C
COc1ccc(-n2cnc3c(C)nc(Nc4cccc(C)c4)nc32)cc1 Cc1cccc(c1)N[*:1] COc1ccc(cc1)-n1cnc2c(C)nc(nc21)[*:1]
COc1ccc(-n2cnc3c(C)nc(Nc4cccc(C)c4)nc32)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)-n1cnc2c(C)nc(nc21)N[*:1]
COc1ccc(-n2cnc3c(C)nc(Nc4cccc(C)c4)nc32)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)Nc1nc(C)c2ncn(c2n1)[*:1]
CC(C)C[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C CC(C)C[*:1] C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)[*:1]
CC(C)C[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C CC(C)[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CC(C)(C)OC1(C)C
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(Br)c2)s1 c1ccc(cc1)C[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccc(Br)c1)[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(Br)c2)s1 Cc1nc(C)c(s1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2cccc(Br)c2)N1Cc1ccccc1)[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(Br)c2)s1 Brc1cccc(c1)[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(Br)c2)s1 Cc1nc(C)c(s1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccc(Br)c2)N1Cc1ccccc1
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(Br)c2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccc(Br)c1
COCC[C@H](C)NS(=O)(=O)/C=C/c1ccc(Br)cc1 COCC[C@H](C)[*:1] O=S(=O)(/C=C/c1ccc(Br)cc1)N[*:1]
COCC[C@H](C)NS(=O)(=O)/C=C/c1ccc(Br)cc1 COCC[*:1] C[C@H](NS(=O)(=O)/C=C/c1ccc(Br)cc1)[*:1]
COCC[C@H](C)NS(=O)(=O)/C=C/c1ccc(Br)cc1 COC[*:1] C[C@@H](C[*:1])NS(=O)(=O)/C=C/c1ccc(Br)cc1
O=C([O-])CC1(NC(=O)c2c[nH]c3ccccc23)CCC1 O=C([O-])[*:1] O=C(NC1(CCC1)C[*:1])c1c[nH]c2ccccc12
O=C([O-])CC1(NC(=O)c2c[nH]c3ccccc23)CCC1 O=C([O-])C[*:1] O=C(NC1(CCC1)[*:1])c1c[nH]c2ccccc12
CN(CC[NH+](C)C)C(=O)CCCn1cncn1 c1ncn(n1)[*:1] CN(CC[NH+](C)C)C(=O)CCC[*:1]
CC1(C)C[C@@](Cc2ccccc2)(C(=O)[O-])CCO1 c1ccc(cc1)[*:1] CC1(C)C[C@@](CCO1)(C[*:1])C(=O)[O-]
CC1(C)C[C@@](Cc2ccccc2)(C(=O)[O-])CCO1 O=C([O-])[*:1] CC1(C)C[C@](CCO1)(Cc1ccccc1)[*:1]
O=C(Cc1ccsc1)Nc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(Cc1ccsc1)Nc1nnc(s1)[*:1]
O=C(Cc1ccsc1)Nc1nnc(-c2ccccc2)s1 c1cc(cs1)C[*:1] O=C(Nc1nnc(s1)-c1ccccc1)[*:1]
O=C(Cc1ccsc1)Nc1nnc(-c2ccccc2)s1 c1cc(cs1)[*:1] O=C(C[*:1])Nc1nnc(s1)-c1ccccc1
C[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)C[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@H]1Oc2ccccc2C=C1/C=C/C(=O)N[C@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1Oc2ccccc2C=C1/C=C/C(=O)N[C@H](C(=O)[O-])[*:1]
C[C@H]1Oc2ccccc2C=C1/C=C/C(=O)N[C@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] C[C@H]1Oc2ccccc2C=C1/C=C/C(=O)N[C@H](c1ccccc1)[*:1]
[O-]/C(COc1ccc(Br)cc1)=N\c1nc(C[NH+]2CCOCC2)cs1 Brc1ccc(cc1)[*:1] [O-]/C(CO[*:1])=N\c1nc(cs1)C[NH+]1CCOCC1
[O-]/C(COc1ccc(Br)cc1)=N\c1nc(C[NH+]2CCOCC2)cs1 Brc1ccc(cc1)O[*:1] [O-]/C(C[*:1])=N\c1nc(cs1)C[NH+]1CCOCC1
CC(=O)N1CCC(C(=O)N2CCN(c3ccccc3C#N)C(=O)C2)CC1 N#Cc1ccccc1[*:1] CC(=O)N1CCC(CC1)C(=O)N1CCN(C(=O)C1)[*:1]
CCc1noc(CC)c1CNC(=O)[C@H](C)Oc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CCc1noc(CC)c1CNC(=O)[C@H](C)O[*:1]
C[C@H](c1cccnc1)N(C)CCS(=O)(=O)c1cccc(C#N)c1 c1cncc(c1)[*:1] C[C@H](N(C)CCS(=O)(=O)c1cccc(C#N)c1)[*:1]
COCCNC(=O)C[C@H](NC(C)=O)c1ccccc1 COC[*:1] CC(=O)N[C@@H](CC(=O)NC[*:1])c1ccccc1
COCCNC(=O)C[C@H](NC(C)=O)c1ccccc1 CC(=O)N[*:1] COCCNC(=O)C[C@H](c1ccccc1)[*:1]
COCCNC(=O)C[C@H](NC(C)=O)c1ccccc1 COCC[*:1] CC(=O)N[C@@H](CC(=O)N[*:1])c1ccccc1
COCCNC(=O)C[C@H](NC(C)=O)c1ccccc1 c1ccc(cc1)[*:1] COCCNC(=O)C[C@H](NC(C)=O)[*:1]
O=C(C[C@@H]1SC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O)Nc1ccc(Cl)cc1 FC(F)(F)c1ccccc1[*:1] O=C(C[C@@H]1SC(=O)N(CC(=O)N[*:1])C1=O)Nc1ccc(Cl)cc1
O=C(C[C@@H]1SC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1C(=O)S[C@@H](CC(=O)N[*:1])C1=O)Nc1ccccc1C(F)(F)F
O=C(C[C@@H]1SC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] O=C(CN1C(=O)S[C@@H](C[*:1])C1=O)Nc1ccccc1C(F)(F)F
O=C(C[C@@H]1SC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O)Nc1ccc(Cl)cc1 FC(F)(F)[*:1] O=C(C[C@@H]1SC(=O)N(CC(=O)Nc2ccccc2[*:1])C1=O)Nc1ccc(Cl)cc1
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(N2CCCCC2=O)cc1 O=C1CCCCN1[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)[*:1])S(=O)(=O)N1CCCCCC1
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(N2CCCCC2=O)cc1 O=S(=O)(N1CCCCCC1)[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCCC1=O)[*:1]
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccccc2)C1 C=C(C)[*:1] CC1=CC[C@@H](C/C1=N\NC(=O)COc1ccccc1)[*:1]
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccccc2)C1 c1ccc(cc1)O[*:1] C=C(C)[C@H]1CC=C(C)/C(C1)=N/NC(=O)C[*:1]
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccccc2)C1 c1ccc(cc1)[*:1] C=C(C)[C@H]1CC=C(C)/C(C1)=N/NC(=O)CO[*:1]
COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2cccs2)n1-c1ccc(F)cc1)N[*:1]
COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)CSc1nnc(-c2cccs2)n1[*:1]
COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(F)cc2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)NC(=O)CSc1nnc(n1-c1ccc(F)cc1)[*:1]
CCCc1cc(C(=O)N2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)no1 CCCc1cc(no1)[*:1] CN(C)C(=O)c1nn(Cc2ccccc2)c2CCN(Cc12)C(=O)[*:1]
CCCc1cc(C(=O)N2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)no1 CN(C)C(=O)[*:1] CCCc1cc(no1)C(=O)N1CCc2c(C1)c(nn2Cc1ccccc1)[*:1]
CCCc1cc(C(=O)N2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)no1 c1ccc(cc1)[*:1] CCCc1cc(no1)C(=O)N1CCc2c(C1)c(nn2C[*:1])C(=O)N(C)C
CCCc1cc(C(=O)N2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)no1 c1ccc(cc1)C[*:1] CCCc1cc(no1)C(=O)N1CCc2c(C1)c(nn2[*:1])C(=O)N(C)C
CCCc1cc(C(=O)N2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)no1 CCC[*:1] CN(C)C(=O)c1nn(Cc2ccccc2)c2CCN(Cc12)C(=O)c1cc(on1)[*:1]
Cc1ccc(-n2cc(C=O)c(-c3ccoc3)n2)cc1Cl c1cc(co1)[*:1] Cc1ccc(cc1Cl)-n1cc(C=O)c(n1)[*:1]
OCCN(Cc1ccccn1)Cc1ccccc1Br c1ccc(nc1)[*:1] OCCN(Cc1ccccc1Br)C[*:1]
OCCN(Cc1ccccn1)Cc1ccccc1Br OCC[*:1] Brc1ccccc1CN(Cc1ccccn1)[*:1]
Cc1ccc(NCCCc2nc(C(C)C)no2)c([N+](=O)[O-])c1 CC(C)[*:1] Cc1ccc(NCCCc2nc(no2)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NCCCc2nc(C(C)C)no2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NCCCc2nc(no2)C(C)C)c(c1)[*:1]
CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)C2=NNC(=O)CC2)C3)C1 CC(=O)N1CC[C@H](C1)[*:1] O=C1CCC(=NN1)C(=O)N1CCc2nc(ncc2C1)[*:1]
Cc1oc(-c2ccc(OC(C)C)cc2)nc1CS[C@@H]1N[C@@H]2C(=O)N=CN=C2N1c1ccccc1 c1ccc(cc1)[*:1] Cc1oc(nc1CS[C@@H]1N[C@@H]2C(=O)N=CN=C2N1[*:1])-c1ccc(cc1)OC(C)C
Cc1oc(-c2ccc(OC(C)C)cc2)nc1CS[C@@H]1N[C@@H]2C(=O)N=CN=C2N1c1ccccc1 CC(C)O[*:1] Cc1oc(nc1CS[C@@H]1N[C@@H]2C(=O)N=CN=C2N1c1ccccc1)-c1ccc(cc1)[*:1]
Cc1oc(-c2ccc(OC(C)C)cc2)nc1CS[C@@H]1N[C@@H]2C(=O)N=CN=C2N1c1ccccc1 CC(C)Oc1ccc(cc1)[*:1] Cc1oc(nc1CS[C@@H]1N[C@@H]2C(=O)N=CN=C2N1c1ccccc1)[*:1]
Cc1oc(-c2ccc(OC(C)C)cc2)nc1CS[C@@H]1N[C@@H]2C(=O)N=CN=C2N1c1ccccc1 CC(C)[*:1] Cc1oc(nc1CS[C@@H]1N[C@@H]2C(=O)N=CN=C2N1c1ccccc1)-c1ccc(cc1)O[*:1]
CC(C)[C@@H]1C(=O)NC(=O)C[C@@H]1c1c[nH+]cn1C1CC1 C1CC1[*:1] CC(C)[C@@H]1C(=O)NC(=O)C[C@@H]1c1c[nH+]cn1[*:1]
CC(C)[C@@H]1C(=O)NC(=O)C[C@@H]1c1c[nH+]cn1C1CC1 CC(C)[*:1] O=C1C[C@H](c2c[nH+]cn2C2CC2)[C@@H](C(=O)N1)[*:1]
CCOc1ccc([C@@H](C)N[C@@H]2CCc3[nH]ncc3C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])[C@@H](C)N[C@@H]1CCc2[nH]ncc2C1
CCOc1ccc([C@@H](C)N[C@@H]2CCc3[nH]ncc3C2)cc1[N+](=O)[O-] CCO[*:1] C[C@@H](N[C@@H]1CCc2[nH]ncc2C1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CC(N)=O)c2ccccc21 O=C(c1ccccc1)[*:1] C[C@H]([C@]1(O)C(=O)N(CC(N)=O)c2ccccc21)[*:1]
C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CC(N)=O)c2ccccc21 c1ccc(cc1)[*:1] C[C@H](C(=O)[*:1])[C@]1(O)C(=O)N(CC(N)=O)c2ccccc21
C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CC(N)=O)c2ccccc21 NC(=O)C[*:1] C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(c2ccccc21)[*:1]
C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CC(N)=O)c2ccccc21 NC(=O)[*:1] C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(C[*:1])c2ccccc21
N#Cc1cn(C2CC2)c(=O)n(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1=O C1CC1[*:1] N#Cc1cn(c(=O)n(CC(=O)N2CCN(CC2)C(=O)c2ccco2)c1=O)[*:1]
N#Cc1cn(C2CC2)c(=O)n(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1=O c1coc(c1)[*:1] N#Cc1cn(c(=O)n(CC(=O)N2CCN(CC2)C(=O)[*:1])c1=O)C1CC1
CCC(C)(CC)[NH2+]CC(=O)NC1CCC2(CC1)OCCO2 CCC(C)(CC)[*:1] O=C(C[NH2+][*:1])NC1CCC2(CC1)OCCO2
O=C(CNC(=O)c1ccccc1)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])Nc1ccc2OCC[C@H]3CCCCN3C(=O)c2c1
O=C(CNC(=O)c1ccccc1)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 O=C(N[*:1])c1ccccc1 O=C(C[*:1])Nc1ccc2OCC[C@H]3CCCCN3C(=O)c2c1
O=C(CNC(=O)c1ccccc1)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 O=C(NC[*:1])c1ccccc1 O=C1c2cc(ccc2OCC[C@H]2CCCCN12)NC(=O)[*:1]
Cc1nc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3Cl)nc(-c3ccco3)c2s1 c1coc(c1)[*:1] Cc1nc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3Cl)nc(c2s1)[*:1]
Cc1nc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3Cl)nc(-c3ccco3)c2s1 Clc1ccc(c(Cl)c1)[*:1] Cc1nc2c(=O)n(CC(=O)N[*:1])nc(-c3ccco3)c2s1
CC(C)[NH2+]CCO[C@@H]1CCO[C@]2(CCSC2)C1 CC(C)[*:1] C(CO[C@@H]1CCO[C@]2(CCSC2)C1)[NH2+][*:1]
CC(C)[NH2+]CCO[C@@H]1CCO[C@]2(CCSC2)C1 CC(C)[NH2+]C[*:1] C1C[C@H](C[C@@]2(CCSC2)O1)OC[*:1]
CCOC(=O)c1cnc2nc(C(F)(F)F)nn2c1-c1ccccc1 FC(F)(F)[*:1] CCOC(=O)c1cnc2nc(nn2c1-c1ccccc1)[*:1]
CCOC(=O)c1cnc2nc(C(F)(F)F)nn2c1-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1cnc2nc(nn2c1[*:1])C(F)(F)F
CCOC(=O)c1cnc2nc(C(F)(F)F)nn2c1-c1ccccc1 CCOC(=O)[*:1] FC(F)(F)c1nc2ncc(c(-c3ccccc3)n2n1)[*:1]
CCOc1ccc(N[C@@H](C)c2ccc(C)c(C)c2)cn1 CCO[*:1] Cc1ccc(cc1C)[C@H](C)Nc1ccc(nc1)[*:1]
Cc1cccc(OCCN(C)C(=O)c2sc(C)nc2C)c1 Cc1nc(C)c(s1)[*:1] Cc1cccc(c1)OCCN(C)C(=O)[*:1]
Cc1cccc(OCCN(C)C(=O)c2sc(C)nc2C)c1 Cc1cccc(c1)[*:1] Cc1nc(C)c(s1)C(=O)N(C)CCO[*:1]
O=C(Nc1nc2ccccc2s1)[C@H](c1ccccc1)n1cccc1 c1ccc(cc1)[*:1] O=C(Nc1nc2ccccc2s1)[C@H](n1cccc1)[*:1]
O=C(Nc1nc2ccccc2s1)[C@H](c1ccccc1)n1cccc1 c1ccn(c1)[*:1] O=C(Nc1nc2ccccc2s1)[C@H](c1ccccc1)[*:1]
Cc1cc(=O)c(C(=O)NCC2CCCC2)nn1-c1ccccc1F Fc1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)NCC1CCCC1
Cc1cc(=O)c(C(=O)NCC2CCCC2)nn1-c1ccccc1F C1CCC(C1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)NC[*:1]
Cc1cc(=O)c(C(=O)NCC2CCCC2)nn1-c1ccccc1F C1CCC(C1)C[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)N[*:1]
O=C(Nc1ccccc1O)c1cccc(N2CCCC2=O)c1 Oc1ccccc1[*:1] O=C(N[*:1])c1cccc(c1)N1CCCC1=O
O=C(Nc1ccccc1O)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(Nc1ccccc1O)c1cccc(c1)[*:1]
N#Cc1cccc(NC(=O)CS[C@@H]2N=C3C=C(c4ccccc4)N=C3C(=O)N2Cc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)CS[C@@H]1N=C2C=C(N=C2C(=O)N1C[*:1])c1ccccc1
N#Cc1cccc(NC(=O)CS[C@@H]2N=C3C=C(c4ccccc4)N=C3C(=O)N2Cc2ccccc2)c1 N#Cc1cccc(c1)NC(=O)C[*:1] O=C1C2=NC(=CC2=N[C@@H](S[*:1])N1Cc1ccccc1)c1ccccc1
N#Cc1cccc(NC(=O)CS[C@@H]2N=C3C=C(c4ccccc4)N=C3C(=O)N2Cc2ccccc2)c1 N#Cc1cccc(c1)NC(=O)[*:1] O=C1C2=NC(=CC2=N[C@@H](SC[*:1])N1Cc1ccccc1)c1ccccc1
N#Cc1cccc(NC(=O)CS[C@@H]2N=C3C=C(c4ccccc4)N=C3C(=O)N2Cc2ccccc2)c1 N#Cc1cccc(c1)[*:1] O=C(CS[C@@H]1N=C2C=C(N=C2C(=O)N1Cc1ccccc1)c1ccccc1)N[*:1]
N#Cc1cccc(NC(=O)CS[C@@H]2N=C3C=C(c4ccccc4)N=C3C(=O)N2Cc2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)NC(=O)CS[C@@H]1N=C2C=C(N=C2C(=O)N1Cc1ccccc1)[*:1]
N#Cc1cccc(NC(=O)CS[C@@H]2N=C3C=C(c4ccccc4)N=C3C(=O)N2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] N#Cc1cccc(c1)NC(=O)CS[C@@H]1N=C2C=C(N=C2C(=O)N1[*:1])c1ccccc1
CCOCc1ccc(CNc2c(F)c(F)nc(F)c2F)cc1 CCOC[*:1] Fc1nc(F)c(F)c(NCc2ccc(cc2)[*:1])c1F
CCOCc1ccc(CNc2c(F)c(F)nc(F)c2F)cc1 CCO[*:1] Fc1nc(F)c(F)c(NCc2ccc(cc2)C[*:1])c1F
CCc1cc(=O)[nH]c(-c2cccc(NCC(=O)Nc3ccc(C)c(C)c3)c2)n1 Cc1ccc(cc1C)[*:1] CCc1cc(=O)[nH]c(n1)-c1cccc(c1)NCC(=O)N[*:1]
CCc1cc(=O)[nH]c(-c2cccc(NCC(=O)Nc3ccc(C)c(C)c3)c2)n1 CCc1cc(=O)[nH]c(n1)[*:1] Cc1ccc(cc1C)NC(=O)CNc1cccc(c1)[*:1]
CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(C)s2)c1 CC(=O)N(C)[*:1] Cc1ccc(s1)S(=O)(=O)[N-]c1cccc(c1)[*:1]
CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(C)s2)c1 Cc1ccc(s1)[*:1] CC(=O)N(C)c1cccc(c1)[N-]S(=O)(=O)[*:1]
Cc1nc(C)c(-c2nc(-c3cccc(C(=O)NC(C)C)c3)no2)s1 Cc1nc(C)c(s1)[*:1] CC(C)NC(=O)c1cccc(c1)-c1noc(n1)[*:1]
Cc1nc(C)c(-c2nc(-c3cccc(C(=O)NC(C)C)c3)no2)s1 CC(C)NC(=O)[*:1] Cc1nc(C)c(s1)-c1nc(no1)-c1cccc(c1)[*:1]
Cc1nc(C)c(-c2nc(-c3cccc(C(=O)NC(C)C)c3)no2)s1 CC(C)[*:1] Cc1nc(C)c(s1)-c1nc(no1)-c1cccc(c1)C(=O)N[*:1]
Cc1cc(OCC(=O)Nc2ccccc2C)nc(N2CCCCCC2)n1 Cc1ccccc1[*:1] Cc1cc(nc(n1)N1CCCCCC1)OCC(=O)N[*:1]
Cc1cc(OCC(=O)Nc2ccccc2C)nc(N2CCCCCC2)n1 C1CCCN(CC1)[*:1] Cc1cc(nc(n1)[*:1])OCC(=O)Nc1ccccc1C
O=C(NC1CCCCC1)N[C@H]1CCCC[C@@H]1CO C1CCC(CC1)[*:1] O=C(N[C@H]1CCCC[C@@H]1CO)N[*:1]
CCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1ccc(Cl)cc1 CCO[*:1] O=C1C[C@H](c2ccccc2[*:1])c2cnn(-c3ccc(Cl)cc3)c2N1
CCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2[*:1]
C[C@@H](NC(=O)NC1CCN(c2cccc(F)c2)CC1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](NC(=O)NC1CCN(CC1)c1cccc(F)c1)[*:1]
C[C@@H](NC(=O)NC1CCN(c2cccc(F)c2)CC1)c1cccc(C#N)c1 Fc1cccc(c1)[*:1] C[C@@H](NC(=O)NC1CCN(CC1)[*:1])c1cccc(C#N)c1
C[C@H](Br)C[C@H](C)[C@@H]1CCc2cccnc21 C[C@H](Br)C[*:1] C[C@H]([C@@H]1CCc2cccnc21)[*:1]
C[C@H](Br)C[C@H](C)[C@@H]1CCc2cccnc21 C[C@H](Br)[*:1] C[C@@H](C[*:1])[C@@H]1CCc2cccnc21
COC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1CC(C)C COC(=O)[*:1] CC(C)Cn1c(nc2ccc(Br)cc2c1=O)S[C@@H](C)[*:1]
COC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1CC(C)C COC(=O)[C@H](C)S[*:1] CC(C)Cn1c(nc2ccc(Br)cc2c1=O)[*:1]
COC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1CC(C)C CC(C)C[*:1] COC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1[*:1]
COC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1CC(C)C COC(=O)[C@H](C)[*:1] CC(C)Cn1c(nc2ccc(Br)cc2c1=O)S[*:1]
COC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1CC(C)C CC(C)[*:1] COC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1C[*:1]
CC(C)n1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cn1 CC(C)[*:1] O=C(c1cnn(c1)[*:1])N1CCC[C@H](C1)c1[nH]ncc1-c1ccc(F)cc1
CC(C)n1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cn1 CC(C)n1cc(cn1)[*:1] O=C(N1CCC[C@H](C1)c1[nH]ncc1-c1ccc(F)cc1)[*:1]
CC(C)n1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cn1 Fc1ccc(cc1)[*:1] CC(C)n1cc(cn1)C(=O)N1CCC[C@H](C1)c1[nH]ncc1[*:1]
CC1(C)CCC(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)CC1 CC1(C)CCC(CC1)[*:1] O=C(N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
CC1(C)CCC(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)CC1 Fc1ccc(cc1)[*:1] CC1(C)CCC(CC1)C(=O)N1CCC(CC1)OC[*:1]
CC1(C)CCC(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)CC1 Fc1ccc(cc1)C[*:1] CC1(C)CCC(CC1)C(=O)N1CCC(CC1)O[*:1]
COC(=O)C(C)(C)NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 COC(=O)[*:1] C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC(C)(C)[*:1]
COC(=O)C(C)(C)NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 COC(=O)C(C)(C)[*:1] C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[*:1]
COCCN(Cc1ccco1)C(=O)c1cc2c([nH]c1=O)CCCC2 c1coc(c1)[*:1] COCCN(C[*:1])C(=O)c1cc2CCCCc2[nH]c1=O
COCCN(Cc1ccco1)C(=O)c1cc2c([nH]c1=O)CCCC2 c1coc(c1)C[*:1] COCCN(C(=O)c1cc2CCCCc2[nH]c1=O)[*:1]
COCCN(Cc1ccco1)C(=O)c1cc2c([nH]c1=O)CCCC2 COC[*:1] O=C(c1cc2CCCCc2[nH]c1=O)N(Cc1ccco1)C[*:1]
COCCN(Cc1ccco1)C(=O)c1cc2c([nH]c1=O)CCCC2 COCC[*:1] O=C(c1cc2CCCCc2[nH]c1=O)N(Cc1ccco1)[*:1]
COc1ccccc1N1CCN(C(=O)CN2CCN(c3ccccc3F)CC2)CC1 Fc1ccccc1[*:1] COc1ccccc1N1CCN(CC1)C(=O)CN1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C(=O)CN2CCN(c3ccccc3F)CC2)CC1 COc1ccccc1[*:1] O=C(CN1CCN(CC1)c1ccccc1F)N1CCN(CC1)[*:1]
Cc1ccc2nc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)sc2c1 Fc1ccc(cc1)[*:1] Cc1ccc2nc(sc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(SCC)cc2)sc(C)c1C CCOC(=O)[*:1] CCSc1ccc(cc1)C(=O)Nc1sc(C)c(C)c1[*:1]
CCOC(=O)c1c(NC(=O)c2ccc(SCC)cc2)sc(C)c1C CCS[*:1] CCOC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc(C)c1C
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 O=[N+]([O-])[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)(C)c1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1ncc(s1)S(=O)(=O)[*:1]
CC(C)(C)c1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 CC(C)(C)[*:1] O=C(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1]
CSCC[C@@H](C(=O)/N=c1\[nH]c2ccccc2s1)N1C(=O)c2ccccc2C1=O CSCC[*:1] O=C(/N=c1\[nH]c2ccccc2s1)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CSCC[C@@H](C(=O)/N=c1\[nH]c2ccccc2s1)N1C(=O)c2ccccc2C1=O CSC[*:1] O=C(/N=c1\[nH]c2ccccc2s1)[C@H](C[*:1])N1C(=O)c2ccccc2C1=O
CCc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCc2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] CCc1ccc(cc1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)CC[*:1]
CCc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCc2cnn(C)c2)cc1 Cn1cc(cn1)CC[*:1] CCc1ccc(cc1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
CCc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCc2cnn(C)c2)cc1 Cn1cc(cn1)C[*:1] CCc1ccc(cc1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)C[*:1]
CCc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCc2cnn(C)c2)cc1 CCc1ccc(cc1)[*:1] Cn1cc(cn1)CCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1[*:1]
COc1ccccc1O[C@H](C)C(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1[O-] C[C@H](c1ccccc1)[*:1] COc1ccccc1O[C@H](C)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
COc1ccccc1O[C@H](C)C(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1[O-] COc1ccccc1[*:1] Cc1c(C(=O)[C@@H](C)O[*:1])c([O-])n(c(=O)c1C#N)[C@H](C)c1ccccc1
COc1ccccc1O[C@H](C)C(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1[O-] c1ccc(cc1)[*:1] COc1ccccc1O[C@H](C)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[C@H](C)[*:1]
COc1ccccc1O[C@H](C)C(=O)c1c(C)c(C#N)c(=O)n([C@H](C)c2ccccc2)c1[O-] COc1ccccc1O[*:1] Cc1c(C(=O)[C@@H](C)[*:1])c([O-])n(c(=O)c1C#N)[C@H](C)c1ccccc1
Cn1cc(CCC(=O)NC2CCCCC2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(CCC(=O)NC2CCCCC2)c(n1)[*:1]
Cn1cc(CCC(=O)NC2CCCCC2)c(-c2ccccc2)n1 C1CCC(CC1)[*:1] Cn1cc(CCC(=O)N[*:1])c(n1)-c1ccccc1
Cc1cccc2c1ncn1c(=O)n(CC(=O)Nc3ccc(F)cc3)nc21 Fc1ccc(cc1)[*:1] Cc1cccc2c1ncn1c(=O)n(CC(=O)N[*:1])nc21
CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2)cc1F CC(C)O[*:1] C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(c(F)c1)[*:1]
CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2)cc1F c1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1F)CNC(=O)[C@@H](C)O[*:1]
CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2)cc1F CC(C)[*:1] C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(O[*:1])c(F)c1
CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2)cc1F c1ccc(cc1)O[*:1] CC(C)Oc1ccc(cc1F)CNC(=O)[C@@H](C)[*:1]
O=C(Cc1ccon1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(Cc1ccon1)N[C@H](c1ccc(F)cc1)[*:1]
O=C(Cc1ccon1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(Cc1ccon1)N[C@H]([C@H]1CCCO1)[*:1]
O=C(Cc1ccon1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 c1cc(no1)[*:1] O=C(C[*:1])N[C@H](c1ccc(F)cc1)[C@H]1CCCO1
O=C(Cc1ccon1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 c1cc(C[*:1])no1 O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)[*:1]
Cn1c(-c2ccccc2)nnc1[C@H](C#N)C(=O)[C@@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])[C@H](C#N)C(=O)[C@@H]1CCCc2ccccc21
COc1ccc(C)cc1NC(=O)c1sc2nc(C)nc(N3CCN(c4cccc[nH+]4)CC3)c2c1C COc1ccc(C)cc1[*:1] Cc1nc(c2c(C)c(sc2n1)C(=O)N[*:1])N1CCN(CC1)c1cccc[nH+]1
COc1ccc(OCC(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F
COc1ccc(OCC(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)OCC(=O)N1N=C2CCCC[C@@H]2[C@@]1(O)[*:1]
CC(C)(C)c1cc(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)n[nH]1 Fc1ccc(F)c(c1)[*:1] CC(C)(C)c1cc(n[nH]1)-c1nn2c(nnc2s1)[*:1]
CC(C)(C)c1cc(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)n[nH]1 CC(C)(C)[*:1] Fc1ccc(F)c(c1)-c1nnc2sc(nn12)-c1cc([nH]n1)[*:1]
O=C(Nc1ccc(Cl)cc1)n1nc(-c2ccncc2)oc1=S Clc1ccc(cc1)[*:1] O=C(N[*:1])n1nc(oc1=S)-c1ccncc1
O=C(Nc1ccc(Cl)cc1)n1nc(-c2ccncc2)oc1=S c1cc(ccn1)[*:1] O=C(Nc1ccc(Cl)cc1)n1nc(oc1=S)[*:1]
Cn1cc[nH+]c1CN(CCO)C(=O)c1ccc2ncsc2c1 OCC[*:1] Cn1cc[nH+]c1CN(C(=O)c1ccc2ncsc2c1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C[NH2+][C@@H](C)[C@@H]1CN(C)CCO1)[*:1]
CCCS(=O)(=O)[N-]c1ccc(Nc2nccn(CC)c2=O)cc1 CCC[*:1] CCn1ccnc(Nc2ccc(cc2)[N-]S(=O)(=O)[*:1])c1=O
COc1cc([C@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)ccc1OCC(=O)[O-] O=C([O-])[*:1] COc1cc(ccc1OC[*:1])[C@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
COc1cc([C@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)ccc1OCC(=O)[O-] O=C([O-])CO[*:1] COc1cc(ccc1[*:1])[C@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
COc1cc([C@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)ccc1OCC(=O)[O-] O=C([O-])C[*:1] COc1cc(ccc1O[*:1])[C@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)c1C Cc1cccc(c1C)[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)C(=O)N[*:1]
COc1cccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1CN(C[C@H]1C(=O)N(C)C[*:1])C(=O)c1cccc(Cl)c1
COc1cccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 CN(Cc1ccccc1)C(=O)[*:1] COc1cccc(c1)[C@H]1CN(C[C@@H]1[*:1])C(=O)c1cccc(Cl)c1
COc1cccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)[C@H]1CN(C[C@H]1C(=O)N(C)[*:1])C(=O)c1cccc(Cl)c1
COc1cccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 COc1cccc(c1)[*:1] CN(Cc1ccccc1)C(=O)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cccc(Cl)c1
COc1cccc([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 Clc1cccc(c1)[*:1] COc1cccc(c1)[C@H]1CN(C[C@H]1C(=O)N(C)Cc1ccccc1)C(=O)[*:1]
O=C(Cc1cccc(F)c1F)N(C[C@H]1CCCO1)c1ccncc1 c1cc(ccn1)[*:1] O=C(Cc1cccc(F)c1F)N(C[C@H]1CCCO1)[*:1]
O=C(Cc1cccc(F)c1F)N(C[C@H]1CCCO1)c1ccncc1 Fc1cccc(c1F)[*:1] O=C(C[*:1])N(C[C@H]1CCCO1)c1ccncc1
O=C(Cc1cccc(F)c1F)N(C[C@H]1CCCO1)c1ccncc1 C1CO[C@H](C1)C[*:1] O=C(Cc1cccc(F)c1F)N(c1ccncc1)[*:1]
CCOc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CCOc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 CCO[*:1] C[C@@]1(NC(=O)N(CC(=O)c2ccc(cc2)[*:1])C1=O)c1ccccc1
CCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2COc3ccc(F)cc3C2)C1 CCCNC(=O)[*:1] O=C([C@H]1COc2ccc(F)cc2C1)N1CCC[C@@H](C1)[*:1]
CCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2COc3ccc(F)cc3C2)C1 CCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)[C@H]1COc2ccc(F)cc2C1
CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(SCC)nn2[C@H]1c1ccccc1F CCOc1ccccc1[*:1] CCSc1nc2NC(C)=C(C(=O)N[*:1])[C@H](c3ccccc3F)n2n1
CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(SCC)nn2[C@H]1c1ccccc1F Fc1ccccc1[*:1] CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(nn2[C@@H]1[*:1])SCC
CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(SCC)nn2[C@H]1c1ccccc1F CCS[*:1] CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(nn2[C@H]1c1ccccc1F)[*:1]
CCOc1ccccc1NC(=O)C1=C(C)Nc2nc(SCC)nn2[C@H]1c1ccccc1F CCO[*:1] CCSc1nc2NC(C)=C(C(=O)Nc3ccccc3[*:1])[C@H](c3ccccc3F)n2n1
Cc1ccc(-c2ccc(S(=O)(=O)NC3(C(=O)[O-])CCCCC3)cc2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC1(CCCCC1)[*:1]
Cc1ccc(-c2ccc(S(=O)(=O)NC3(C(=O)[O-])CCCCC3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])C1(CCCCC1)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1nc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)sc1C c1ccc(cc1)[*:1] Cc1nc(NC(=O)CSc2nnc([C@@H](C)NC(=O)[*:1])n2C)sc1C
Cc1nc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)sc1C Cc1nc(sc1C)[*:1] C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N[*:1])n1C
Cc1nc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)sc1C O=C(N[*:1])c1ccccc1 Cc1nc(NC(=O)CSc2nnc([C@@H](C)[*:1])n2C)sc1C
COc1ccc2c(c1)CCC[C@H]2CC(=O)O[C@@H](C)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] COc1ccc2c(c1)CCC[C@H]2CC(=O)O[C@@H](C)[*:1]
CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)CCO3)CC1 CCC[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1ccc2OCCc2c1
O=C(Nc1ccc2ccccc2n1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 c1ccc2nc(ccc2c1)[*:1] O=C(N[*:1])c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCCCC1
O=C(Nc1ccc2ccccc2n1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(Nc1ccc2ccccc2n1)c1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1
O=C(Nc1ccc2ccccc2n1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1ccc2ccccc2n1)c1cc(ccc1N1CCOCC1)[*:1]
Cc1ccc(NC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)NC(=O)N1CCCC[C@H]1[*:1]
C[C@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@H](C(=O)NC[*:1])[S@](=O)Cc1ccc(F)cc1
C[C@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccc(F)cc1 c1ccc(cc1)C[*:1] C[C@H](C(=O)N[*:1])[S@](=O)Cc1ccc(F)cc1
C[C@H](C(=O)NCc1ccccc1)[S@](=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)NCc1ccccc1)[S@](=O)C[*:1]
COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1 Cc1ccc(c(C)c1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)[*:1]
COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1 COc1ccccc1[*:1] Cc1ccc(-c2cc([nH]n2)C(=O)N2CCN(CC2)[*:1])c(C)c1
COCCCNC(=O)C(=O)Nc1ccc2oc(C(C)C)nc2c1 COCCC[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)C(=O)N[*:1]
COCCCNC(=O)C(=O)Nc1ccc2oc(C(C)C)nc2c1 CC(C)[*:1] COCCCNC(=O)C(=O)Nc1ccc2oc(nc2c1)[*:1]
COCCCNC(=O)C(=O)Nc1ccc2oc(C(C)C)nc2c1 COCC[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)C(=O)NC[*:1]
COCCCNC(=O)C(=O)Nc1ccc2oc(C(C)C)nc2c1 COC[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)C(=O)NCC[*:1]
CCC[NH2+][C@@H](Cc1ccccc1OC)[C@@H]1CSCCS1 CCC[*:1] COc1ccccc1C[C@H]([NH2+][*:1])[C@@H]1CSCCS1
Cc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cs1 Cc1cc(cs1)[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)NNC(=O)[*:1]
Cc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cs1 O=C([O-])[*:1] Cc1cc(cs1)C(=O)NNC(=O)[C@H]1[C@@H]([C@@H]2C=C[C@H]1C2)[*:1]
CCOC(=O)/C(C#N)=C1/SCC(=O)N1c1ccc(OC)cc1 CCOC(=O)[*:1] COc1ccc(cc1)N1C(=O)CSC1=C(C#N)[*:1]
O=C(C=C(C1CC1)C1CC1)NCC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C=C(C1CC1)C1CC1)NCC(=O)N[*:1]
O=C(C=C(C1CC1)C1CC1)NCC(=O)Nc1ccc(F)cc1 C1CC1[*:1] O=C(C=C(C1CC1)[*:1])NCC(=O)Nc1ccc(F)cc1
CCn1c(Sc2cc(C)nc(COC)n2)nnc1-c1ccccc1 COC[*:1] CCn1c(nnc1-c1ccccc1)Sc1cc(C)nc(n1)[*:1]
CCn1c(Sc2cc(C)nc(COC)n2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])Sc1cc(C)nc(COC)n1
CC[C@](C)([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC[C@](C)([NH3+])C(=O)Nc1ccc(cc1)[*:1]
c1cncc(-c2n[nH]cc2C[NH+]2CCC(C3CCOCC3)CC2)c1 C1CC(CCO1)[*:1] c1cncc(c1)-c1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
c1cncc(-c2n[nH]cc2C[NH+]2CCC(C3CCOCC3)CC2)c1 c1cncc(c1)[*:1] c1[nH]nc(c1C[NH+]1CCC(CC1)C1CCOCC1)[*:1]
Cc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2C(=O)[O-])C1=O O=C([O-])c1ccccc1[*:1] Cc1ccccc1/C=C1\SC(=O)N(CC(=O)N[*:1])C1=O
Cc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2C(=O)[O-])C1=O O=C([O-])[*:1] Cc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2[*:1])C1=O
Cc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2C(=O)[O-])C1=O Cc1ccccc1[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)Nc1ccccc1C(=O)[O-]
COC(=O)c1ccc([C@H]2SC[C@@H]3C(=O)N(C4CCCCC4)C(=S)N32)cc1 COC(=O)[*:1] O=C1[C@H]2CS[C@H](c3ccc(cc3)[*:1])N2C(=S)N1C1CCCCC1
COC(=O)c1ccc([C@H]2SC[C@@H]3C(=O)N(C4CCCCC4)C(=S)N32)cc1 C1CCC(CC1)[*:1] COC(=O)c1ccc(cc1)[C@H]1SC[C@@H]2C(=O)N(C(=S)N21)[*:1]
O=C(NCCNC(=O)c1ccccc1)N[C@@H](CO)c1ccco1 c1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])N[C@@H](CO)c1ccco1
O=C(NCCNC(=O)c1ccccc1)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(NCCNC(=O)c1ccccc1)N[C@@H](CO)[*:1]
COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4[nH]3)C2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nc2cc(Cl)ccc2[nH]1
COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4[nH]3)C2)c(OC)c1 Clc1ccc2[nH]c(nc2c1)[*:1] COc1ccc(CNC(=O)[C@H]2CCCN(C2)[*:1])c(c1)OC
CCCc1cc(=O)nc(-n2nc(C)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 O=[N+]([O-])[*:1] CCCc1cc(=O)nc([nH]1)-n1nc(C)cc1NC(=O)c1ccc(Cl)c(c1)[*:1]
CCCc1cc(=O)nc(-n2nc(C)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 CCC[*:1] Cc1cc(NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])n(n1)-c1nc(=O)cc([nH]1)[*:1]
Cc1ccc(-n2nc(C)c(CC(=O)N3CCOC[C@H]3CCO)c2C)cc1Cl OCC[*:1] Cc1ccc(cc1Cl)-n1nc(C)c(CC(=O)N2CCOC[C@@H]2[*:1])c1C
Cc1ccc(-n2nc(C)c(CC(=O)N3CCOC[C@H]3CCO)c2C)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1nn(c(C)c1CC(=O)N1CCOC[C@H]1CCO)[*:1]
Cc1ccccc1-c1nc(C(=O)Nc2cccc(C)c2C(N)=O)cs1 Cc1ccccc1[*:1] Cc1cccc(NC(=O)c2csc(n2)[*:1])c1C(N)=O
Cc1ccccc1-c1nc(C(=O)Nc2cccc(C)c2C(N)=O)cs1 NC(=O)[*:1] Cc1ccccc1-c1nc(cs1)C(=O)Nc1cccc(C)c1[*:1]
Cc1noc(CNc2ccccc2Oc2ncc(Cl)cc2Cl)n1 Cc1noc(C[*:1])n1 Clc1cnc(Oc2ccccc2N[*:1])c(Cl)c1
Cc1noc(CNc2ccccc2Oc2ncc(Cl)cc2Cl)n1 Cc1noc(n1)[*:1] Clc1cnc(Oc2ccccc2NC[*:1])c(Cl)c1
O=S(=O)(CCC1CC1)N(CCO)c1ccc(Br)cc1 C1CC1[*:1] O=S(=O)(CC[*:1])N(CCO)c1ccc(Br)cc1
O=S(=O)(CCC1CC1)N(CCO)c1ccc(Br)cc1 OCC[*:1] O=S(=O)(CCC1CC1)N(c1ccc(Br)cc1)[*:1]
O=S(=O)(CCC1CC1)N(CCO)c1ccc(Br)cc1 C1CC1C[*:1] O=S(=O)(C[*:1])N(CCO)c1ccc(Br)cc1
O=S(=O)(CCC1CC1)N(CCO)c1ccc(Br)cc1 C1CC1CC[*:1] O=S(=O)(N(CCO)c1ccc(Br)cc1)[*:1]
c1cnc(Oc2cccc(C[NH2+]CC3CC[NH2+]CC3)c2)nc1 c1cnc(nc1)O[*:1] c1cc(cc(c1)[*:1])C[NH2+]CC1CC[NH2+]CC1
c1cnc(Oc2cccc(C[NH2+]CC3CC[NH2+]CC3)c2)nc1 c1cnc(nc1)[*:1] c1cc(cc(c1)O[*:1])C[NH2+]CC1CC[NH2+]CC1
Cc1cc(C)n(CC(=O)N2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)n1 O=C(NC[C@@H]1CCCO1)[*:1] Cc1cc(C)n(CC(=O)N2CCC(CC2)CC[*:1])n1
Cc1cc(C)n(CC(=O)N2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)n1 Cc1cc(C)n(n1)[*:1] O=C(CCC1CCN(CC1)C(=O)C[*:1])NC[C@@H]1CCCO1
Cc1cc(C)n(CC(=O)N2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)n1 Cc1cc(C)n(C[*:1])n1 O=C(CCC1CCN(CC1)C(=O)[*:1])NC[C@@H]1CCCO1
CC(C)CN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)C(C)C CC(C)C[*:1] CC(C)N(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)[*:1]
CC(C)CN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)C(C)C Clc1ccc(cc1)[*:1] CC(C)CN(C(=O)CS(=O)(=O)[*:1])C(C)C
CC(C)CN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)C(C)C CC(C)[*:1] CC(C)CN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)[*:1]
CC(C)CN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)C(C)C CC(C)[*:1] CC(C)N(C[*:1])C(=O)CS(=O)(=O)c1ccc(Cl)cc1
CC[NH+](CC)[C@](C)(C(=O)[O-])c1cc(F)c(C)cc1F O=C([O-])[*:1] CC[NH+](CC)[C@](C)(c1cc(F)c(C)cc1F)[*:1]
Cc1cnc(CNC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)s1 Cc1cnc(C[*:1])s1 C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)N[*:1]
Cc1cnc(CNC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)s1 C1CC1[*:1] Cc1cnc(CNC(=O)N(Cc2ccccc2)[C@@H](C)[*:1])s1
Cc1cnc(CNC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)s1 c1ccc(cc1)[*:1] Cc1cnc(CNC(=O)N(C[*:1])[C@@H](C)C2CC2)s1
Cc1cnc(CNC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)s1 c1ccc(cc1)C[*:1] Cc1cnc(CNC(=O)N([C@@H](C)C2CC2)[*:1])s1
Cc1cnc(CNC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)s1 C[C@@H](C1CC1)[*:1] Cc1cnc(CNC(=O)N(Cc2ccccc2)[*:1])s1
Cc1cnc(CNC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)s1 Cc1cnc(s1)[*:1] C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC[*:1]
CCC[NH2+][C@H]([C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CSCCO1 CCC[*:1] C1C[C@]2(CO1)C[C@@H](CCO2)[C@@H]([NH2+][*:1])[C@@H]1CSCCO1
CCC[NH2+][C@H]([C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CSCCO1 C1CSC[C@H](O1)[*:1] CCC[NH2+][C@H]([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
C[C@@H](NC(=O)c1ccc(Br)s1)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)c1ccc(Br)s1)[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CNC(=O)C1CCN(CC1)C(=O)c1ccc(Br)cc1)N[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C)c1 Brc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)C2CCN(CC2)C(=O)[*:1])c(C)c1
C[C@@H](NC(=O)N[C@H]1CC=CCC1)[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@H]1CC=CCC1)[C@H](O)[*:1]
CC(C)[C@H](Nc1ncc(Br)cn1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@H](Nc1ncc(Br)cn1)[*:1]
CC(C)[C@H](Nc1ncc(Br)cn1)c1ccccn1 CC(C)[*:1] Brc1cnc(nc1)N[C@H](c1ccccn1)[*:1]
CC(C)N1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1 Clc1ccccc1[*:1] CC(C)N1CCN(CC1)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)N1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1 CC(C)[*:1] Cn1cc(C(=O)N2CCN(CC2)[*:1])c(n1)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl
CC(C)N1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1 CC(C)N1CCN(CC1)C(=O)[*:1] Cn1cc(c(n1)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl)[*:1]
CCCCS[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 CCCCS[*:1] [NH3+][C@@]1(CCC[C@H](C1)[*:1])C(=O)[O-]
CCCCS[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 CCCC[*:1] [NH3+][C@@]1(CCC[C@H](C1)S[*:1])C(=O)[O-]
CCCCS[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 CCC[*:1] [NH3+][C@@]1(CCC[C@H](C1)SC[*:1])C(=O)[O-]
CCCCS[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 O=C([O-])[*:1] CCCCS[C@@H]1CCC[C@]([NH3+])(C1)[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Cc1c(Cl)cccc1[*:1] O=C(CNC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1)N[*:1]
CC(C)(C)CC(=O)N1CCC([NH2+]C[C@](C)(O)CN2CCOCC2)CC1 CC(C)(C)C[*:1] C[C@](O)(C[NH2+]C1CCN(CC1)C(=O)[*:1])CN1CCOCC1
CC(C)(C)CC(=O)N1CCC([NH2+]C[C@](C)(O)CN2CCOCC2)CC1 C1CN(CCO1)[*:1] CC(C)(C)CC(=O)N1CCC(CC1)[NH2+]C[C@](C)(O)C[*:1]
CC(C)(C)CC(=O)N1CCC([NH2+]C[C@](C)(O)CN2CCOCC2)CC1 CC(C)(C)[*:1] C[C@](O)(C[NH2+]C1CCN(CC1)C(=O)C[*:1])CN1CCOCC1
CC(C)(C)CC(=O)N1CCC([NH2+]C[C@](C)(O)CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] CC(C)(C)CC(=O)N1CCC(CC1)[NH2+]C[C@](C)(O)[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3cccs3)C2)[C@@H]1c1cccnc1 c1cncc(c1)[*:1] COC(=O)C1=C(C)NC2C[C@@H](c3cccs3)[C@H](C(=O)OC)C(=O)C=2[C@H]1[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3cccs3)C2)[C@@H]1c1cccnc1 COC(=O)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(C)=C([C@H]2c1cccnc1)[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3cccs3)C2)[C@@H]1c1cccnc1 COC(=O)[*:1] COC(=O)C1=C(C)NC2C[C@@H](c3cccs3)[C@H](C(=O)C=2[C@@H]1c1cccnc1)[*:1]
COC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3cccs3)C2)[C@@H]1c1cccnc1 c1csc(c1)[*:1] COC(=O)C1=C(C)NC2C[C@@H]([C@H](C(=O)OC)C(=O)C=2[C@@H]1c1cccnc1)[*:1]
COc1cccc(C(=O)/N=c2/sc3c(C)ccc(OC)c3n2C)c1 COc1cccc(c1)[*:1] COc1ccc(C)c2s/c(=N/C(=O)[*:1])n(C)c12
Cc1cc(/C=C(/C#N)C(=O)/N=C2\[N-]CCS2)c(C)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1cc(/C=C(/C#N)C(=O)/N=C2\[N-]CCS2)c(C)n1C[*:1]
Cc1cc(/C=C(/C#N)C(=O)/N=C2\[N-]CCS2)c(C)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1cc(/C=C(/C#N)C(=O)/N=C2\[N-]CCS2)c(C)n1[*:1]
CCc1noc(-c2ccc(CCNC(=O)[C@@H]3CN(CC)CCO3)cc2)n1 CCc1noc(n1)[*:1] CCN1CCO[C@@H](C1)C(=O)NCCc1ccc(cc1)[*:1]
O=C(NC[C@H]1C=NN=C1c1ccccc1)C1=CN(C2CCCCCC2)NN1 c1ccc(cc1)[*:1] O=C(NC[C@H]1C=NN=C1[*:1])C1=CN(NN1)C1CCCCCC1
O=C(NC[C@H]1C=NN=C1c1ccccc1)C1=CN(C2CCCCCC2)NN1 C1CCCC(CC1)[*:1] O=C(NC[C@H]1C=NN=C1c1ccccc1)C1=CN(NN1)[*:1]
O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)Nc1ccccc1[N+](=O)[O-] Oc1ccc(Br)cc1[*:1] O=C(CSc1nc(n[nH]1)[*:1])Nc1ccccc1[N+](=O)[O-]
O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CSc1nc(n[nH]1)-c1cc(Br)ccc1O)Nc1ccccc1[*:1]
O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] O=C(CSc1nc(n[nH]1)-c1cc(Br)ccc1O)N[*:1]
C=CC[C@H](Nc1ccccc1)c1cc(OC)ccc1OC C=CC[*:1] COc1ccc(OC)c(c1)[C@@H](Nc1ccccc1)[*:1]
C=CC[C@H](Nc1ccccc1)c1cc(OC)ccc1OC c1ccc(cc1)N[*:1] C=CC[C@H](c1cc(ccc1OC)OC)[*:1]
C=CC[C@H](Nc1ccccc1)c1cc(OC)ccc1OC c1ccc(cc1)[*:1] C=CC[C@H](N[*:1])c1cc(ccc1OC)OC
C=C(OCC)n1nc2ccccc2n1 CCO[*:1] C=C(n1nc2ccccc2n1)[*:1]
CNS(=O)(=O)c1cc(C(=O)NC2[C@@H](C)CCC[C@@H]2C)ccc1F CNS(=O)(=O)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(F)c(c1)[*:1]
Cc1ccccc1C[NH+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 Cc1ccccc1[*:1] C[NH+](Cc1nc(no1)-c1ccc(cc1)[N+](=O)[O-])C[*:1]
Cc1ccccc1C[NH+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 O=[N+]([O-])[*:1] Cc1ccccc1C[NH+](C)Cc1nc(no1)-c1ccc(cc1)[*:1]
Cc1ccccc1C[NH+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 Cc1ccccc1C[*:1] C[NH+](Cc1nc(no1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(CCNC(=O)c1cc2scnc2[nH]1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CCNC(=O)c1cc2scnc2[nH]1)N[*:1]
CN(CC(C)(C)O)S(=O)(=O)c1cc(N)ccc1Br CC(C)(O)[*:1] CN(C[*:1])S(=O)(=O)c1cc(N)ccc1Br
CN(CC(C)(C)O)S(=O)(=O)c1cc(N)ccc1Br CC(C)(O)C[*:1] CN(S(=O)(=O)c1cc(N)ccc1Br)[*:1]
C[C@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)[*:1]
C[C@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)c1ccc(Cl)cc1 NC(=O)[*:1] C[C@H]([NH2+]Cc1cn(CC[*:1])c2ccccc12)c1ccc(Cl)cc1
C[C@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)c1ccc(Cl)cc1 NC(=O)C[*:1] C[C@H]([NH2+]Cc1cn(C[*:1])c2ccccc12)c1ccc(Cl)cc1
C[C@H]([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)c1ccc(Cl)cc1 NC(=O)CC[*:1] C[C@H]([NH2+]Cc1cn(c2ccccc12)[*:1])c1ccc(Cl)cc1
COC(=O)C1(N(C)C(=O)[C@@H](C)n2c(=O)oc3ccccc32)CCCCC1 COC(=O)[*:1] C[C@H](C(=O)N(C)C1(CCCCC1)[*:1])n1c(=O)oc2ccccc21
CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(N)ccc1OC Cc1ccc(cc1)[*:1] CC[C@H](O[*:1])C(=O)Nc1cc(N)ccc1OC
CC(=O)Nc1ccc(F)c(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 CC(=O)N[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1cc(ccc1F)[*:1])C1CC1
CC(=O)Nc1ccc(F)c(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 c1coc(c1)[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)N(C1CC1)[C@@H](C)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 C1CC1[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)N([C@@H](C)c1ccco1)[*:1]
CCc1[nH]c(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c(C)c1C(=O)OC COC(=O)[*:1] CCc1[nH]c(C(=O)NCc2nnc3ccc(cn23)C(F)(F)F)c(C)c1[*:1]
CCc1[nH]c(C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c(C)c1C(=O)OC FC(F)(F)[*:1] CCc1[nH]c(C(=O)NCc2nnc3ccc(cn23)[*:1])c(C)c1C(=O)OC
C[C@H]1CN(Cc2noc(C(C)(C)C)n2)C[C@@H](C)S1 CC(C)(C)[*:1] C[C@H]1CN(Cc2noc(n2)[*:1])C[C@@H](C)S1
Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 O=C(Nc1ccccc1)[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1ccccc1[*:1]
Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 Cc1cc(C)cc(c1)O[*:1] O=C(C[*:1])Nc1ccccc1C(=O)Nc1ccccc1
Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CO[*:1])Nc1ccccc1C(=O)Nc1ccccc1
Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1ccccc1C(=O)N[*:1]
CCOc1ccccc1[C@@H](Cl)[C@H](C)c1ccncc1 CCO[*:1] C[C@H](c1ccncc1)[C@H](Cl)c1ccccc1[*:1]
CCOc1ccccc1[C@@H](Cl)[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] CCOc1ccccc1[C@@H](Cl)[C@H](C)[*:1]
O[C@H](c1ccc(Cl)s1)[C@H]1CCc2ccccc2C1 Clc1ccc(s1)[*:1] O[C@H]([C@H]1CCc2ccccc2C1)[*:1]
CCc1cccc(Oc2cccc(F)c2C(N)=S)c1 NC(=S)[*:1] CCc1cccc(c1)Oc1cccc(F)c1[*:1]
CCN(C(=O)c1cn(Cc2ccccc2)c2ncccc12)c1ccccc1 c1ccc(cc1)C[*:1] CCN(C(=O)c1cn(c2ncccc12)[*:1])c1ccccc1
CCN(C(=O)c1cn(Cc2ccccc2)c2ncccc12)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1cn(C[*:1])c2ncccc12)c1ccccc1
CCN(C(=O)c1cn(Cc2ccccc2)c2ncccc12)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1cn(Cc2ccccc2)c2ncccc12)[*:1]
CCc1nnc2sc(CCn3nc(C)c([N+](=O)[O-])c3C)nn12 O=[N+]([O-])[*:1] CCc1nnc2sc(CCn3nc(C)c(c3C)[*:1])nn12
COCCc1noc(CN2CCC[C@H](c3cc(C)[nH]n3)C2)n1 COC[*:1] Cc1cc(n[nH]1)[C@H]1CCCN(Cc2nc(C[*:1])no2)C1
COCCc1noc(CN2CCC[C@H](c3cc(C)[nH]n3)C2)n1 COCC[*:1] Cc1cc(n[nH]1)[C@H]1CCCN(Cc2nc(no2)[*:1])C1
COCCc1noc(CN2CCC[C@H](c3cc(C)[nH]n3)C2)n1 Cc1cc(n[nH]1)[*:1] COCCc1noc(CN2CCC[C@H](C2)[*:1])n1
CCCN1C(=O)CCc2cc(NCc3ccccc3)ccc21 c1ccc(cc1)C[*:1] CCCN1C(=O)CCc2cc(ccc21)N[*:1]
CCCN1C(=O)CCc2cc(NCc3ccccc3)ccc21 c1ccc(cc1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC[*:1]
CCCN1C(=O)CCc2cc(NCc3ccccc3)ccc21 CCC[*:1] O=C1CCc2cc(ccc2N1[*:1])NCc1ccccc1
CN(C)c1ccc(C(=O)NCCCC(=O)[O-])cn1 O=C([O-])CCC[*:1] CN(C)c1ccc(cn1)C(=O)N[*:1]
CN(C)c1ccc(C(=O)NCCCC(=O)[O-])cn1 O=C([O-])[*:1] CN(C)c1ccc(cn1)C(=O)NCCC[*:1]
CN(C)c1ccc(C(=O)NCCCC(=O)[O-])cn1 O=C([O-])C[*:1] CN(C)c1ccc(cn1)C(=O)NCC[*:1]
CN(C)c1ccc(C(=O)NCCCC(=O)[O-])cn1 O=C([O-])CC[*:1] CN(C)c1ccc(cn1)C(=O)NC[*:1]
CN(C)c1ccc(C(=O)NCCCC(=O)[O-])cn1 CN(C)[*:1] O=C([O-])CCCNC(=O)c1ccc(nc1)[*:1]
COc1ccccc1NC1CCN(c2ncnc3sc(C)cc23)CC1 COc1ccccc1[*:1] Cc1cc2c(ncnc2s1)N1CCC(CC1)N[*:1]
O=C1NCCCc2[nH]c(-c3ccccc3-n3ccnc3)nc21 c1cn(cn1)[*:1] O=C1NCCCc2[nH]c(nc21)-c1ccccc1[*:1]
CCN1CC(=O)Nc2cc(C(=O)Nc3cccc(OC)c3)ccc21 COc1cccc(c1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[*:1]
CC[NH+](CC)[C@H]1CCN(C(=O)NCc2nc(C)c(C)o2)C1 Cc1nc(oc1C)[*:1] CC[NH+](CC)[C@H]1CCN(C1)C(=O)NC[*:1]
CC(C)Cn1cc[nH+]c1CNC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 CC(C)[*:1] C[C@H]1C[C@H]1c1ccc(CNC(=O)NCc2[nH+]ccn2C[*:1])o1
CC(C)Cn1cc[nH+]c1CNC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 CC(C)C[*:1] C[C@H]1C[C@H]1c1ccc(CNC(=O)NCc2[nH+]ccn2[*:1])o1
O=C(CCn1ccnc1)N[C@H]1C=C[C@H](C(=O)[O-])C1 c1cn(cn1)C[*:1] O=C(C[*:1])N[C@H]1C=C[C@@H](C1)C(=O)[O-]
O=C(CCn1ccnc1)N[C@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(CCn1ccnc1)N[C@H]1C=C[C@H](C1)[*:1]
O=C(CCn1ccnc1)N[C@H]1C=C[C@H](C(=O)[O-])C1 c1cn(cn1)[*:1] O=C(CC[*:1])N[C@H]1C=C[C@@H](C1)C(=O)[O-]
O=S(=O)(c1c(F)cccc1F)N1CCN(S(=O)(=O)N2CCCCC2)CC1 Fc1cccc(F)c1[*:1] O=S(=O)(N1CCCCC1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 Cc1ccccc1C[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccccc1CNC(=O)[C@H]1CCCN(C1)C(=O)c1nnc(s1)[*:1]
Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 Cc1ccccc1CNC(=O)[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 Cc1ccccc1[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 Fc1ccc(cc1)[*:1] Cc1ccccc1CNC(=O)[C@H]1CCCN(C1)C(=O)c1nnc(s1)C(=O)N[*:1]
Cc1cc(N)c(S(=O)(=O)N[C@H](C)CC(C)C)cc1C CC(C)C[*:1] Cc1cc(N)c(cc1C)S(=O)(=O)N[C@H](C)[*:1]
Cc1cc(N)c(S(=O)(=O)N[C@H](C)CC(C)C)cc1C CC(C)[*:1] Cc1cc(N)c(cc1C)S(=O)(=O)N[C@H](C)C[*:1]
Cc1cc(N)c(S(=O)(=O)N[C@H](C)CC(C)C)cc1C CC(C)C[C@@H](C)[*:1] Cc1cc(N)c(cc1C)S(=O)(=O)N[*:1]
COc1ccc(C(=O)OCc2cc(C)cc(C)c2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)OCc1cc(C)cc(C)c1
COc1ccc(C(=O)OCc2cc(C)cc(C)c2)cc1S(N)(=O)=O Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1S(N)(=O)=O)C(=O)OC[*:1]
C[C@@]1(CO)CCC[C@@H]1NC(=O)NCc1cc(F)ccc1CS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@@]1(CO)CCC[C@@H]1NC(=O)NCc1cc(F)ccc1[*:1]
C[C@@]1(CO)CCC[C@@H]1NC(=O)NCc1cc(F)ccc1CS(C)(=O)=O CS(=O)(=O)[*:1] C[C@@]1(CO)CCC[C@@H]1NC(=O)NCc1cc(F)ccc1C[*:1]
C[C@H](NC(=O)c1ncoc1-c1ccc2ccccc2c1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](NC(=O)c1ncoc1-c1ccc2ccccc2c1)[*:1]
C[C@H](NC(=O)c1ncoc1-c1ccc2ccccc2c1)c1cccnc1 C[C@H](c1cccnc1)[*:1] O=C(N[*:1])c1ncoc1-c1ccc2ccccc2c1
COC(=O)c1ccc(Oc2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])cc1 C1CCCC(CC1)[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(N[*:1])c1[N+](=O)[O-]
COC(=O)c1ccc(Oc2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])cc1 C1CCCC(CC1)N[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(c1[N+](=O)[O-])[*:1]
COC(=O)c1ccc(Oc2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(NC2CCCCCC2)c1[*:1]
COC(=O)c1ccc(Oc2ncnc(NC3CCCCCC3)c2[N+](=O)[O-])cc1 COC(=O)[*:1] O=[N+]([O-])c1c(ncnc1Oc1ccc(cc1)[*:1])NC1CCCCCC1
Cc1cccc(N(CCC(N)=O)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 NC(=O)[*:1] Cc1cccc(c1)N(CC[*:1])C(=O)[C@@H](C)[NH+]1CCCCCC1
Cc1cccc(N(CCC(N)=O)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 NC(=O)CC[*:1] Cc1cccc(c1)N(C(=O)[C@@H](C)[NH+]1CCCCCC1)[*:1]
Cc1cccc(N(CCC(N)=O)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 Cc1cccc(c1)[*:1] C[C@H](C(=O)N(CCC(N)=O)[*:1])[NH+]1CCCCCC1
Cc1cccc(N(CCC(N)=O)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 NC(=O)C[*:1] Cc1cccc(c1)N(C[*:1])C(=O)[C@@H](C)[NH+]1CCCCCC1
COc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(Br)cccc3s2)cc1 COc1ccc(cc1)[*:1] O=C(CS(=O)(=O)[*:1])Nc1nc2c(Br)cccc2s1
O=C(NCCC(=O)N1CCOCC1)C1CCN(c2ncnc3ccccc23)CC1 O=C(N1CCOCC1)[*:1] O=C(NCC[*:1])C1CCN(CC1)c1ncnc2ccccc12
O=C(NCCC(=O)N1CCOCC1)C1CCN(c2ncnc3ccccc23)CC1 O=C(C[*:1])N1CCOCC1 O=C(NC[*:1])C1CCN(CC1)c1ncnc2ccccc12
CCCn1nc(C(=O)Nc2ccc(C)c(C)c2)ccc1=O CCC[*:1] Cc1ccc(cc1C)NC(=O)c1ccc(=O)n(n1)[*:1]
N#Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2C(N)=O)cc1 NC(=O)[*:1] N#Cc1ccc(cc1)S(=O)(=O)Oc1cc(Cl)ccc1[*:1]
Cc1ccccc1-n1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccncc1 Cc1ccccc1[*:1] NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccncc2)n1[*:1]
Cc1ccccc1-n1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccncc1 c1cc(ccn1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])SCC(=O)Nc1sccc1C(N)=O
Cc1ccccc1-n1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccncc1 NC(=O)[*:1] Cc1ccccc1-n1c(nnc1-c1ccncc1)SCC(=O)Nc1sccc1[*:1]
Cc1ccccc1-n1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccncc1 NC(=O)c1ccsc1[*:1] Cc1ccccc1-n1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
CCC[NH+](CCC)[C@H]1CCC(C)(C)[C@H]1O CCC[*:1] CCC[NH+]([C@H]1CCC(C)(C)[C@H]1O)[*:1]
O=C(NCc1cccs1)NNC(=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NCc1cccs1)NNC(=O)[*:1]
O=C(NCc1cccs1)NNC(=O)[C@H]1CCCO1 c1csc(c1)[*:1] O=C(NC[*:1])NNC(=O)[C@H]1CCCO1
O=C(NCc1cccs1)NNC(=O)[C@H]1CCCO1 c1csc(c1)C[*:1] O=C(NNC(=O)[C@H]1CCCO1)N[*:1]
CCOC(=O)[C@@H](F)[C@H](O)c1ccc2c(c1)OCCO2 CCOC(=O)[*:1] O[C@H](c1ccc2OCCOc2c1)[C@H](F)[*:1]
CCc1nn(C)cc1NC(=O)Cn1c(CSC)nc2ccccc21 CSC[*:1] CCc1nn(C)cc1NC(=O)Cn1c(nc2ccccc21)[*:1]
CCc1nn(C)cc1NC(=O)Cn1c(CSC)nc2ccccc21 CCc1nn(C)cc1[*:1] CSCc1nc2ccccc2n1CC(=O)N[*:1]
CC(C)CC[C@](C)(O)CNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 CC(C)C[*:1] C[C@@H]1CN(C(=O)C(=O)NC[C@@](C)(O)C[*:1])c2ccccc2O1
CC(C)CC[C@](C)(O)CNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 CC(C)[*:1] C[C@@H]1CN(C(=O)C(=O)NC[C@@](C)(O)CC[*:1])c2ccccc2O1
CC(C)CC[C@](C)(O)CNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 CC(C)CC[C@](C)(O)[*:1] C[C@@H]1CN(C(=O)C(=O)NC[*:1])c2ccccc2O1
CC(C)CC[C@](C)(O)CNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 CC(C)CC[*:1] C[C@@H]1CN(C(=O)C(=O)NC[C@](C)(O)[*:1])c2ccccc2O1
CC(C)CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 CC(C)CNC(=O)[*:1] O=C(NCC[*:1])NC12CC3CC(CC(C3)C1)C2
CC(C)CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 CC(C)[*:1] O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NC[*:1]
CC(C)CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 CC(C)C[*:1] O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)N[*:1]
CCc1ncc(CN(C)C(=O)c2c(C)nc(-c3ccco3)nc2SC)s1 CCc1ncc(s1)[*:1] CSc1nc(nc(C)c1C(=O)N(C)C[*:1])-c1ccco1
CCc1ncc(CN(C)C(=O)c2c(C)nc(-c3ccco3)nc2SC)s1 CCc1ncc(C[*:1])s1 CSc1nc(nc(C)c1C(=O)N(C)[*:1])-c1ccco1
CCc1ncc(CN(C)C(=O)c2c(C)nc(-c3ccco3)nc2SC)s1 c1coc(c1)[*:1] CCc1ncc(CN(C)C(=O)c2c(C)nc(nc2SC)[*:1])s1
COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NCc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)NC(=O)[C@@H]1CCCN1C(=O)NC[*:1]
COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NCc2ccccc2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)NC(=O)[C@@H]1CCCN1C(=O)N[*:1]
CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC2)c1 CNS(=O)(=O)[*:1] O=C(c1cc(ccc1Cl)[*:1])N1CCCC1
COc1ccc2c(c1)CCC[C@H]2C/C([O-])=N/S(=O)(=O)c1cccnc1 c1cncc(c1)[*:1] COc1ccc2c(c1)CCC[C@H]2C/C([O-])=N/S(=O)(=O)[*:1]
COc1cc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)cc(OC)c1OC O=C([O-])[*:1] COc1cc(cc(OC)c1OC)-c1cc(c2cc(C)ccc2n1)[*:1]
COCCn1cc(NC(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)cn1 COC[*:1] CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(c1)C[*:1]
COCCn1cc(NC(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)cn1 COCC[*:1] CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(c1)[*:1]
COCCn1cc(NC(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)cn1 CC(C)(C)[*:1] COCCn1cc(cn1)NC(=O)N[C@H]1CCCC[C@@H]1[*:1]
Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)[O-] c1ccc(cc1)[*:1] Cc1ccccc1-c1nn(cc1/C=C(\C#N)C(=O)[O-])[*:1]
Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1-c1nn(cc1C=C(C#N)[*:1])-c1ccccc1
Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)[O-] Cc1ccccc1[*:1] N#C/C(=C\c1cn(nc1[*:1])-c1ccccc1)C(=O)[O-]
CCOc1cc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])NC(=O)[C@@H]1CCCN1C(=O)C1CC1
CCOc1cc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)ccc1OC C1CC1[*:1] CCOc1cc(ccc1OC)NC(=O)[C@@H]1CCCN1C(=O)[*:1]
CN(C)C(=O)COc1cccc(NC(=O)C=C2CCSCC2)c1 CN(C)C(=O)C[*:1] O=C(C=C1CCSCC1)Nc1cccc(c1)O[*:1]
CN(C)C(=O)COc1cccc(NC(=O)C=C2CCSCC2)c1 CN(C)C(=O)[*:1] O=C(C=C1CCSCC1)Nc1cccc(c1)OC[*:1]
CN(C)C(=O)COc1cccc(NC(=O)C=C2CCSCC2)c1 CN(C)C(=O)CO[*:1] O=C(C=C1CCSCC1)Nc1cccc(c1)[*:1]
CCCN[C@@H](c1cc(Cl)ccc1OC)C(C)(C)[NH+](C)C CCC[*:1] COc1ccc(Cl)cc1[C@H](N[*:1])C(C)(C)[NH+](C)C
CCCN[C@@H](c1cc(Cl)ccc1OC)C(C)(C)[NH+](C)C CCCN[*:1] COc1ccc(Cl)cc1[C@@H](C(C)(C)[NH+](C)C)[*:1]
c1ccc(CN(Cc2cccn2-c2ncccn2)C[C@H]2CCCO2)nc1 c1ccc(C[*:1])nc1 c1cnc(nc1)-n1cccc1CN(C[C@H]1CCCO1)[*:1]
c1ccc(CN(Cc2cccn2-c2ncccn2)C[C@H]2CCCO2)nc1 c1cnc(nc1)[*:1] c1ccc(CN(Cc2cccn2[*:1])C[C@H]2CCCO2)nc1
c1ccc(CN(Cc2cccn2-c2ncccn2)C[C@H]2CCCO2)nc1 C1CO[C@H](C1)C[*:1] c1ccc(CN(Cc2cccn2-c2ncccn2)[*:1])nc1
c1ccc(CN(Cc2cccn2-c2ncccn2)C[C@H]2CCCO2)nc1 c1ccc(nc1)[*:1] c1cnc(nc1)-n1cccc1CN(C[C@H]1CCCO1)C[*:1]
Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 Cc1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(=O)NCC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
COc1ccc(C(=O)N(C)C)cc1NC(=O)C1CCOCC1 C1CC(CCO1)[*:1] COc1ccc(cc1NC(=O)[*:1])C(=O)N(C)C
COc1ccc(C(=O)N(C)C)cc1NC(=O)C1CCOCC1 CN(C)C(=O)[*:1] COc1ccc(cc1NC(=O)C1CCOCC1)[*:1]
N#Cc1ccc(OCC(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1 Clc1cccc(c1)[*:1] N#Cc1ccc(cc1)OCC(=O)Nc1nc(cs1)[*:1]
N#Cc1ccc(OCC(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1nc(cs1)-c1cccc(Cl)c1
CCc1ccccc1N1C[C@H](C(=O)NC[C@@H](C)Cn2cccn2)CC1=O CCc1ccccc1[*:1] C[C@H](CNC(=O)[C@@H]1CC(=O)N(C1)[*:1])Cn1cccn1
CCc1ccccc1N1C[C@H](C(=O)NC[C@@H](C)Cn2cccn2)CC1=O c1cnn(c1)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)NC[C@@H](C)C[*:1]
CCc1ccccc1N1C[C@H](C(=O)NC[C@@H](C)Cn2cccn2)CC1=O c1cnn(c1)C[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)NC[C@@H](C)[*:1]
CCc1cc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)n(C)n1 CCc1cc(n(C)n1)[*:1] O=C(NC1CCC(CC1)[NH+]1CCCCC1)N[*:1]
C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC#C)C2=O)cc1OCC C#CCO[*:1] C#CCN1C(=O)S/C(=C/c2cc(Br)c(c(c2)OCC)[*:1])C1=O
C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC#C)C2=O)cc1OCC C#CC[*:1] C#CCOc1c(Br)cc(/C=C2/SC(=O)N(C2=O)[*:1])cc1OCC
C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC#C)C2=O)cc1OCC C#CC[*:1] C#CCN1C(=O)S/C(=C/c2cc(Br)c(O[*:1])c(c2)OCC)C1=O
C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC#C)C2=O)cc1OCC CCO[*:1] C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC#C)C2=O)cc1[*:1]
CCOc1ccccc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 CCO[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)/C=C/c1ccccc1[*:1])c2C#N
CSc1ncccc1C(=O)Nc1nc(-c2ccccc2)c(C)s1 c1ccc(cc1)[*:1] CSc1ncccc1C(=O)Nc1nc(c(C)s1)[*:1]
NC(=O)[C@H]1COCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 NC(=O)[*:1] O=C(c1cnn(c1)Cc1ccccc1Cl)N1CCOC[C@@H]1[*:1]
NC(=O)[C@H]1COCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1C[*:1] NC(=O)[C@H]1COCCN1C(=O)c1cnn(c1)[*:1]
NC(=O)[C@H]1COCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] NC(=O)[C@H]1COCCN1C(=O)c1cnn(c1)C[*:1]
Cc1ccc(C[NH+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)C[*:1]
Cc1ccc(C[NH+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1 Cc1cc(nc(C)[nH+]1)[*:1] Cc1ccc(C[NH+](C)C2CCN(CC2)[*:1])c(C)c1
CCCCO[C@@H](C(C)C)[C@H]([NH3+])c1ccccc1 CCC[*:1] CC(C)[C@H](OC[*:1])[C@H]([NH3+])c1ccccc1
CCCCO[C@@H](C(C)C)[C@H]([NH3+])c1ccccc1 CCCC[*:1] CC(C)[C@H](O[*:1])[C@H]([NH3+])c1ccccc1
CCCCO[C@@H](C(C)C)[C@H]([NH3+])c1ccccc1 CCCCO[*:1] CC(C)[C@@H]([C@H]([NH3+])c1ccccc1)[*:1]
CCCCO[C@@H](C(C)C)[C@H]([NH3+])c1ccccc1 CC(C)[*:1] CCCCO[C@@H]([C@H]([NH3+])c1ccccc1)[*:1]
Cc1ccc(-c2nc(COc3cccc([N+](=O)[O-])c3)n[nH]2)cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)OCc1n[nH]c(n1)[*:1]
Cc1ccc(-c2nc(COc3cccc([N+](=O)[O-])c3)n[nH]2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1nc(COc2cccc(c2)[*:1])n[nH]1
CC(C)=CC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 CC(C)=C[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)=CC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)=CC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COC(=O)CCCN(C)C(=O)c1ccc(Br)s1 COC(=O)[*:1] CN(CCC[*:1])C(=O)c1ccc(Br)s1
COC(=O)CCCN(C)C(=O)c1ccc(Br)s1 COC(=O)C[*:1] CN(CC[*:1])C(=O)c1ccc(Br)s1
C[C@H](Cc1ccsc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] C[C@H](Cc1ccsc1)[*:1] CN(C(=O)c1nn(cc1[O-])-c1ccc(F)cc1)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] c1cc(cs1)[*:1] C[C@H](C[*:1])N(C)C(=O)c1nn(cc1[O-])-c1ccc(F)cc1
C[C@H](Cc1ccsc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] c1cc(cs1)C[*:1] C[C@H](N(C)C(=O)c1nn(cc1[O-])-c1ccc(F)cc1)[*:1]
C[C@H](Cc1ccsc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] Fc1ccc(cc1)[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)c1nn(cc1[O-])[*:1]
O=C(OCc1ccccc1)N1CCC(O)(CNc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(OCc1ccccc1)N1CCC(O)(CC1)CN[*:1]
O=C(OCc1ccccc1)N1CCC(O)(CNc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(O[*:1])N1CCC(O)(CC1)CNc1ccccc1
O=C(OCc1ccccc1)N1CCC(O)(CNc2ccccc2)CC1 c1ccc(cc1)NC[*:1] O=C(OCc1ccccc1)N1CCC(O)(CC1)[*:1]
O=C(OCc1ccccc1)N1CCC(O)(CNc2ccccc2)CC1 c1ccc(cc1)N[*:1] O=C(OCc1ccccc1)N1CCC(O)(CC1)C[*:1]
O=C(OCc1ccccc1)N1CCC(O)(CNc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(OC[*:1])N1CCC(O)(CC1)CNc1ccccc1
[NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2Cl)O1 FC(F)(F)[*:1] [NH3+]C[C@@H]1CC[C@H](O1)C(=O)Nc1ccc(cc1Cl)[*:1]
CO[C@@H]1CCC[C@H](C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)C1 FC(F)[*:1] CO[C@@H]1CCC[C@@H](C1)C(=O)N1CCC(CC1)c1cc(c2c(C)noc2n1)[*:1]
CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1cccc(c1)[*:1]
CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1 Fc1cc(Br)ccc1[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1cccc(c1)[N+](=O)[O-]
CCCC[C@@H](CC)C(=O)N1CCOCC1 CCCC[*:1] CC[C@@H](C(=O)N1CCOCC1)[*:1]
CCCC[C@@H](CC)C(=O)N1CCOCC1 CCC[*:1] CC[C@H](C[*:1])C(=O)N1CCOCC1
CC(C)(C)c1ncc2c(n1)CN(c1ncc(C#N)c(N)n1)C2 CC(C)(C)[*:1] N#Cc1cnc(nc1N)N1Cc2cnc(nc2C1)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)OCc1nnc(-c2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)OCc1nnc(o1)[*:1]
O=C(COc1ccc(Cl)cc1Cl)NCC1(O)CCOCC1 OC1(CCOCC1)[*:1] O=C(COc1ccc(Cl)cc1Cl)NC[*:1]
CCOC(=O)C1([NH2+]C[C@H](O)c2ccc(C)cc2)CCCCC1 CCOC(=O)[*:1] Cc1ccc(cc1)[C@@H](O)C[NH2+]C1(CCCCC1)[*:1]
CCOC(=O)C1([NH2+]C[C@H](O)c2ccc(C)cc2)CCCCC1 Cc1ccc(cc1)[*:1] CCOC(=O)C1(CCCCC1)[NH2+]C[C@H](O)[*:1]
CCC(CC)C(=O)Nc1nc(C)c(-c2nc(-c3ccccc3)no2)s1 CCC(CC)C(=O)N[*:1] Cc1nc(sc1-c1nc(no1)-c1ccccc1)[*:1]
CCC(CC)C(=O)Nc1nc(C)c(-c2nc(-c3ccccc3)no2)s1 c1ccc(cc1)[*:1] CCC(CC)C(=O)Nc1nc(C)c(s1)-c1nc(no1)[*:1]
CCC(CC)C(=O)Nc1nc(C)c(-c2nc(-c3ccccc3)no2)s1 CCC(CC)[*:1] Cc1nc(NC(=O)[*:1])sc1-c1nc(no1)-c1ccccc1
CC[C@@H](C)NC(=O)N[C@H](C)c1cccc(Br)c1 CC[C@@H](C)[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(Br)c1
O=[N+]([O-])c1ccc2ncccc2c1 O=[N+]([O-])[*:1] c1cnc2ccc(cc2c1)[*:1]
CC(C)(C[NH2+]Cc1ccc2c(c1)OCO2)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] c1cc2OCOc2cc1C[NH2+]C[*:1]
CC(C)(C[NH2+]Cc1ccc2c(c1)OCO2)C(=O)[O-] O=C([O-])[*:1] CC(C)(C[NH2+]Cc1ccc2OCOc2c1)[*:1]
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] O=C1CCCN1[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccc(cc1)N1CCCC1=O
COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2OC)[C@@H]1c1c[nH]c2ccccc12 COC[*:1] COc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C[*:1])[C@H]1c1c[nH]c2ccccc12
COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2OC)[C@@H]1c1c[nH]c2ccccc12 COCC[*:1] COc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N([C@H]1c1c[nH]c2ccccc12)[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2OC)[C@@H]1c1c[nH]c2ccccc12 COc1ccccc1[*:1] COCCN1C(=O)c2ccccc2[C@H](C(=O)N[*:1])[C@@H]1c1c[nH]c2ccccc12
COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2OC)[C@@H]1c1c[nH]c2ccccc12 COc1ccccc1NC(=O)[*:1] COCCN1C(=O)c2ccccc2[C@H]([C@@H]1c1c[nH]c2ccccc12)[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2OC)[C@@H]1c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2OC)[C@H]1[*:1]
C/C=C(/C)C(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 CC=C(C)[*:1] C[C@H](c1ccc(Cl)cc1)N(C(=O)[*:1])C1CC1
C/C=C(/C)C(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 C1CC1[*:1] C/C=C(/C)C(=O)N([C@H](C)c1ccc(Cl)cc1)[*:1]
O=C(NC1(C(=O)NCC2CC2)CCCC1)[C@H]1COc2ccc(F)cc2C1 C1CC1[*:1] O=C(NC1(CCCC1)C(=O)NC[*:1])[C@H]1COc2ccc(F)cc2C1
O=C(NC1(C(=O)NCC2CC2)CCCC1)[C@H]1COc2ccc(F)cc2C1 C1CC1C[*:1] O=C(NC1(CCCC1)C(=O)N[*:1])[C@H]1COc2ccc(F)cc2C1
O=C(NC1(C(=O)NCC2CC2)CCCC1)[C@H]1COc2ccc(F)cc2C1 O=C(NCC1CC1)[*:1] O=C(NC1(CCCC1)[*:1])[C@H]1COc2ccc(F)cc2C1
Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccc(F)cc3)CC1)NC2=O Fc1ccc(cc1)C[*:1] Cc1ccc2C(=O)N[C@]3(CCC(=O)N(CC3)[C@@H](C)C(=O)N[*:1])Nc2c1
Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccc(F)cc3)CC1)NC2=O Fc1ccc(cc1)[*:1] Cc1ccc2C(=O)N[C@]3(CCC(=O)N(CC3)[C@@H](C)C(=O)NC[*:1])Nc2c1
Fc1cccc(F)c1-c1ccc(CN2CCC[NH+](C3CCOCC3)CC2)o1 Fc1cccc(F)c1[*:1] c1cc(oc1CN1CCC[NH+](CC1)C1CCOCC1)[*:1]
Cc1cc(=O)n(C)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1cc(=O)n(C)cc1NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(C)cc1F CCC[*:1] Cc1ccc(c(F)c1)[C@H](Cc1[nH]cc[nH+]1)[NH2+][*:1]
Cc1ccc(-c2noc(C[NH+]3CCC(NC(N)=O)CC3)n2)cc1 Cc1ccc(cc1)[*:1] NC(=O)NC1CC[NH+](CC1)Cc1nc(no1)[*:1]
Cc1ccc(-c2noc(C[NH+]3CCC(NC(N)=O)CC3)n2)cc1 NC(=O)N[*:1] Cc1ccc(cc1)-c1noc(C[NH+]2CCC(CC2)[*:1])n1
C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(N2CCNC2=O)CC1 c1ccc(cc1)[*:1] C[C@H](CC[NH+]1CCN(CC1)[*:1])NC(=O)N1CCC(CC1)N1CCNC1=O
C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(N2CCNC2=O)CC1 O=C1NCCN1[*:1] C[C@H](CC[NH+]1CCN(CC1)c1ccccc1)NC(=O)N1CCC(CC1)[*:1]
CC(C)CC1(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)CCCC1 CC(C)[*:1] C1CCC(C1)(C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2)C[*:1]
CC(C)CC1(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)CCCC1 CC(C)C[*:1] C1CCC(C1)(C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2csc(-c3ncccn3)n2)C1 Cc1ccccc1[*:1] C[C@@H]1C[C@@H](CN1C(=O)c1csc(n1)-c1ncccn1)[*:1]
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2csc(-c3ncccn3)n2)C1 c1cnc(nc1)[*:1] Cc1ccccc1[C@H]1C[C@@H](C)N(C1)C(=O)c1csc(n1)[*:1]
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1[C@@H]2C(=O)N(C(=O)[C@H]2ON1[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1[C@@H]2C(=O)N(C(=O)[C@H]2ON1c1ccccc1)[*:1]
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@H]1[C@@H]2C(=O)N(C(=O)[C@H]2ON1c1ccccc1)c1ccc(cc1)[*:1]
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C1[C@H]2ON(c3ccccc3)[C@H]([C@@H]2C(=O)N1c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccsc1CNC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)[*:1] Cc1ccsc1CNC(=O)CS[*:1]
CC(C)(C)OC(=O)N1Cc2ccsc2[C@H](C=O)C1 CC(C)(C)[*:1] O=C[C@@H]1CN(Cc2ccsc21)C(=O)O[*:1]
O=[S@@](Cc1csc(C2CC2)n1)Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=[S@@](Cc1csc(n1)C1CC1)Cc1ncn(n1)[*:1]
O=[S@@](Cc1csc(C2CC2)n1)Cc1ncn(-c2ccccc2)n1 C1CC1[*:1] O=[S@@](Cc1csc(n1)[*:1])Cc1ncn(n1)-c1ccccc1
CC[C@H](C(=O)NCC#CCOc1ccc2c(c1)OCO2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)NCC#CCOc1ccc2OCOc2c1)[*:1]
Cc1ccc(C)c(NC(=O)COC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 Cc1ccc(C)c(c1)[*:1] CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N[*:1])C2=O
CCc1nnc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 CCc1nnc(NC(=O)[*:1])s1 O=C(Nc1ccccc1[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
CCc1nnc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 Clc1ccc(cc1)[*:1] CCc1nnc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
CCc1nnc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 CCc1nnc(s1)[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
C[C@](NC(=O)N1CCC[NH2+]CC1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@](NC(=O)N1CCC[NH2+]CC1)(C(F)(F)F)[*:1]
C[C@](NC(=O)N1CCC[NH2+]CC1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](NC(=O)N1CCC[NH2+]CC1)(C(=O)[O-])[*:1]
CC(=O)Nc1ccc(OC2CCCC2)cc1 CC(=O)N[*:1] c1cc(ccc1OC1CCCC1)[*:1]
CC(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] CC(=O)Nc1ccc(cc1)O[*:1]
O=C(Nc1cccc(C(=O)N2CCCc3ccccc32)c1)c1cc(-c2ccccn2)nc2ncccc12 O=C(N1CCCc2ccccc21)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(nc2ncccc12)-c1ccccn1
O=C(Nc1cccc(C(=O)N2CCCc3ccccc32)c1)c1cc(-c2ccccn2)nc2ncccc12 c1ccc(nc1)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCCc2ccccc21)c1cc(nc2ncccc12)[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)NCC[C@@H](O)C(C)C CC(C)[*:1] Cc1cc(F)ccc1NC(=O)C(=O)NCC[C@@H](O)[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)NCC[C@@H](O)C(C)C CC(C)[C@H](O)C[*:1] Cc1cc(F)ccc1NC(=O)C(=O)NC[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)NCC[C@@H](O)C(C)C CC(C)[C@H](O)CC[*:1] Cc1cc(F)ccc1NC(=O)C(=O)N[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)NCC[C@@H](O)C(C)C CC(C)[C@H](O)[*:1] Cc1cc(F)ccc1NC(=O)C(=O)NCC[*:1]
O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2ccccc21 FC(F)(F)[*:1] O=C(COC(=O)Cc1cccc(c1)[*:1])N[C@@H]1CCCc2ccccc21
Cc1ccc(S(=O)(=O)[N-]c2ccc[nH+]c2N2CCC(C(=O)NC3CC3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NC1CC1)C1CCN(CC1)c1[nH+]cccc1[N-]S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccc[nH+]c2N2CCC(C(=O)NC3CC3)CC2)c(C)c1 C1CC1[*:1] Cc1ccc(c(C)c1)S(=O)(=O)[N-]c1ccc[nH+]c1N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccc[nH+]c2N2CCC(C(=O)NC3CC3)CC2)c(C)c1 O=C(NC1CC1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)[N-]c1ccc[nH+]c1N1CCC(CC1)[*:1]
CC(C)(CS)COc1cc(Cl)cc(Cl)c1 CC(C)(CS)[*:1] Clc1cc(Cl)cc(c1)OC[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O c1ccc(cc1)[*:1] C[C@]1(CC[*:1])NC(=O)N(CC(=O)N2CCN(CC2)c2ncccn2)C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O c1cnc(nc1)[*:1] C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(CC2)[*:1])C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O c1ccc(cc1)CC[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCN(CC2)c2ncccn2)C1=O)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O c1ccc(cc1)C[*:1] C[C@]1(C[*:1])NC(=O)N(CC(=O)N2CCN(CC2)c2ncccn2)C1=O
C[C@H](c1cccc(F)c1)N1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 Fc1cccc(c1)[*:1] C[C@H](N1CCN(CC1)[C@@H]1CCN(C1=O)C1CC1)[*:1]
C[C@H](c1cccc(F)c1)N1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 C1CC1[*:1] C[C@H](c1cccc(F)c1)N1CCN(CC1)[C@@H]1CCN(C1=O)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)c1cc([C@@H](C)CC)no1 CC[C@H](C)[*:1] CCc1nn(C)c(OC)c1CNC(=O)c1cc(no1)[*:1]
CC(=O)N(C)CC(=O)NCc1cccc(OC(C)C)c1 CC(C)[*:1] CC(=O)N(C)CC(=O)NCc1cccc(c1)O[*:1]
CC(=O)N(C)CC(=O)NCc1cccc(OC(C)C)c1 CC(=O)N(C)[*:1] CC(C)Oc1cccc(c1)CNC(=O)C[*:1]
CC(=O)N(C)CC(=O)NCc1cccc(OC(C)C)c1 CC(=O)N(C)C[*:1] CC(C)Oc1cccc(c1)CNC(=O)[*:1]
CC(=O)N(C)CC(=O)NCc1cccc(OC(C)C)c1 CC(C)O[*:1] CC(=O)N(C)CC(=O)NCc1cccc(c1)[*:1]
COCc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)no1 COC[*:1] C[C@@H](NC(=O)c1cc(on1)[*:1])[C@@H]1CCCO1
COCc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)no1 C1CO[C@@H](C1)[*:1] COCc1cc(no1)C(=O)N[C@H](C)[*:1]
C1CO[C@H](C[NH+]2CCC3(CC2)OCCO3)C1 C1CO[C@H](C1)[*:1] C1COC2(CC[NH+](CC2)C[*:1])O1
Cc1cnc(-c2nc(-c3ccncc3)no2)cn1 c1cc(ccn1)[*:1] Cc1cnc(cn1)-c1nc(no1)[*:1]
CCOC(=O)[C@H](C)CSC1COC1 C1OCC1[*:1] CCOC(=O)[C@H](C)CS[*:1]
CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1ccc(C)c(c1)[*:1]
CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 CC(=O)[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Oc1ccc(Br)cc1[*:1]
O=C([O-])c1ccc(CNC(=O)c2ccccc2I)cc1 O=C([O-])[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccccc1I
CCN1CCO[C@H](COc2c(C)cc(C(N)=[NH2+])cc2C)C1 NC(=[NH2+])[*:1] CCN1CCO[C@H](COc2c(C)cc(cc2C)[*:1])C1
COc1ccc(OC)c(-c2cccc(OC3CCN(C(=O)Nc4ccccc4OC)CC3)c2)c1 COc1ccccc1[*:1] COc1ccc(OC)c(c1)-c1cccc(c1)OC1CCN(CC1)C(=O)N[*:1]
COc1ccc(OC)c(-c2cccc(OC3CCN(C(=O)Nc4ccccc4OC)CC3)c2)c1 COc1ccc(OC)c(c1)[*:1] COc1ccccc1NC(=O)N1CCC(CC1)Oc1cccc(c1)[*:1]
COc1cc([C@@H]2CC(=O)C3=C(C2)N=C(C(=O)OC(C)C)[C@H]3C)cc(OC)c1OC CC(C)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC(=O)C2=C(C1)N=C(C(=O)O[*:1])[C@H]2C
CN1C[C@H](c2nc(Cc3ccccc3)no2)CC1=O c1ccc(cc1)[*:1] CN1C[C@@H](CC1=O)c1nc(C[*:1])no1
O=C(NCCNC(=O)c1ccc2ncnn2c1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCCNC(=O)c1ccc2ncnn2c1)N[*:1]
O=C(NCCNC(=O)c1ccc2ncnn2c1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCNC(=O)c1ccc2ncnn2c1)NC[*:1]
Cc1ccccc1C(=O)NCCc1nc(-c2cnccn2)no1 c1cnc(cn1)[*:1] Cc1ccccc1C(=O)NCCc1nc(no1)[*:1]
Cc1ccccc1C(=O)NCCc1nc(-c2cnccn2)no1 Cc1ccccc1[*:1] O=C(NCCc1nc(no1)-c1cnccn1)[*:1]
CSCCCNC(=O)N[C@@H](C)c1cc(C)cc(C)c1 CSCCC[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)N[*:1]
CSCCCNC(=O)N[C@@H](C)c1cc(C)cc(C)c1 CSC[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)NCC[*:1]
CSCCCNC(=O)N[C@@H](C)c1cc(C)cc(C)c1 CSCC[*:1] Cc1cc(C)cc(c1)[C@H](C)NC(=O)NC[*:1]
Cc1cc([N+](=O)[O-])cnc1NCCc1nc(-c2ccc(Cl)cc2)no1 O=[N+]([O-])[*:1] Cc1cc(cnc1NCCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
Cc1cc([N+](=O)[O-])cnc1NCCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1cc(cnc1NCCc1nc(no1)[*:1])[N+](=O)[O-]
Cc1nc(S(=O)(=O)CCCc2cn[nH]c2)n(C2CCCCC2)c1C c1n[nH]cc1CC[*:1] Cc1nc(n(c1C)C1CCCCC1)S(=O)(=O)C[*:1]
Cc1nc(S(=O)(=O)CCCc2cn[nH]c2)n(C2CCCCC2)c1C C1CCC(CC1)[*:1] Cc1nc(n(c1C)[*:1])S(=O)(=O)CCCc1cn[nH]c1
Cc1nc(S(=O)(=O)CCCc2cn[nH]c2)n(C2CCCCC2)c1C c1n[nH]cc1CCC[*:1] Cc1nc(n(c1C)C1CCCCC1)S(=O)(=O)[*:1]
Cc1nc(S(=O)(=O)CCCc2cn[nH]c2)n(C2CCCCC2)c1C c1n[nH]cc1[*:1] Cc1nc(n(c1C)C1CCCCC1)S(=O)(=O)CCC[*:1]
Cc1nc(S(=O)(=O)CCCc2cn[nH]c2)n(C2CCCCC2)c1C c1n[nH]cc1C[*:1] Cc1nc(n(c1C)C1CCCCC1)S(=O)(=O)CC[*:1]
O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1C[C@@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1nc2CCCCCc2s1)[C@@H]1C[C@H]1[*:1]
Cn1cc(-c2noc(-c3ccc4ccc(Cl)cc4n3)n2)cn1 Cn1cc(cn1)[*:1] Clc1ccc2ccc(nc2c1)-c1nc(no1)[*:1]
C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)Cc1cnccn1 c1cnc(cn1)C[*:1] C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)[*:1]
C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)Cc1cnccn1 CC(C)(C)[*:1] C[C@H](C(=O)NC(=O)N[*:1])N(C)Cc1cnccn1
C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)Cc1cnccn1 c1cnc(cn1)[*:1] C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)C[*:1]
COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C1CCCCC1 Cc1ccc(cc1)S(=O)(=O)[*:1] COCCn1c(C)c(C)c(c1NC(=O)C1CCCCC1)[*:1]
COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C1CCCCC1 O=C(N[*:1])C1CCCCC1 COCCn1c(C)c(C)c(c1[*:1])S(=O)(=O)c1ccc(C)cc1
COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C1CCCCC1 COCC[*:1] Cc1ccc(cc1)S(=O)(=O)c1c(C)c(C)n(c1NC(=O)C1CCCCC1)[*:1]
COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C1CCCCC1 Cc1ccc(cc1)[*:1] COCCn1c(C)c(C)c(c1NC(=O)C1CCCCC1)S(=O)(=O)[*:1]
COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] COCCn1c(C)c(C)c(c1NC(=O)[*:1])S(=O)(=O)c1ccc(C)cc1
COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C1CCCCC1 COC[*:1] Cc1ccc(cc1)S(=O)(=O)c1c(C)c(C)n(C[*:1])c1NC(=O)C1CCCCC1
O=C(NC[C@H]1CCCN(c2ncccn2)C1)C1CC1 c1cnc(nc1)[*:1] O=C(NC[C@H]1CCCN(C1)[*:1])C1CC1
O=C(NC[C@H]1CCCN(c2ncccn2)C1)C1CC1 C1CC1[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
O=C(NC[C@H]1CCCN(c2ncccn2)C1)C1CC1 O=C(N[*:1])C1CC1 c1cnc(nc1)N1CCC[C@@H](C1)C[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1nc(N2CCOCC2)c2scc(-c3ccccc3)c2n1 C1CN(CCO1)[*:1] Cc1nc(c2scc(-c3ccccc3)c2n1)[*:1]
Cc1nc(N2CCOCC2)c2scc(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1nc(c2scc(c2n1)[*:1])N1CCOCC1
CCOc1cccc(C2=NN(C(C)=O)[C@@H](Cn3nnc4ccccc43)O2)c1OC(C)=O CCO[*:1] CC(=O)Oc1c(cccc1[*:1])C1=NN(C(C)=O)[C@@H](Cn2nnc3ccccc32)O1
CCOc1cccc(C2=NN(C(C)=O)[C@@H](Cn3nnc4ccccc43)O2)c1OC(C)=O CC(=O)O[*:1] CCOc1cccc(C2=NN(C(C)=O)[C@@H](Cn3nnc4ccccc43)O2)c1[*:1]
CCOc1cccc(C2=NN(C(C)=O)[C@@H](Cn3nnc4ccccc43)O2)c1OC(C)=O c1ccc2c(c1)nnn2C[*:1] CCOc1cccc(C2=NN(C(C)=O)[C@@H](O2)[*:1])c1OC(C)=O
CCOc1cccc(C2=NN(C(C)=O)[C@@H](Cn3nnc4ccccc43)O2)c1OC(C)=O c1ccc2c(c1)nnn2[*:1] CCOc1cccc(C2=NN(C(C)=O)[C@@H](C[*:1])O2)c1OC(C)=O
COc1ccc(OC)c(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc23)c1 CC(=O)Nc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CNC(=O)c1cc(nc2ccccc12)[*:1]
COc1ccc(OC)c(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc23)c1 CC(=O)N[*:1] COc1ccc(OC)c(c1)CNC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)[*:1]
COc1ccc(OC)c(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc23)c1 COc1ccc(OC)c(c1)[*:1] CC(=O)Nc1ccc(cc1)-c1cc(C(=O)NC[*:1])c2ccccc2n1
COc1ccc(OC)c(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc23)c1 COc1ccc(OC)c(c1)C[*:1] CC(=O)Nc1ccc(cc1)-c1cc(C(=O)N[*:1])c2ccccc2n1
CCn1cc(C(=O)C(=O)N(C)c2c(Cl)cccc2Cl)cn1 CCn1cc(cn1)[*:1] CN(C(=O)C(=O)[*:1])c1c(Cl)cccc1Cl
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1C[C@H](C2CC2)[C@@H]([NH3+])C1 FC(F)(F)[*:1] Cn1nc(c(Cl)c1C(=O)N1C[C@H](C2CC2)[C@@H]([NH3+])C1)[*:1]
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1C[C@H](C2CC2)[C@@H]([NH3+])C1 C1CC1[*:1] Cn1nc(c(Cl)c1C(=O)N1C[C@H]([C@@H]([NH3+])C1)[*:1])C(F)(F)F
O=C(C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)NC1CC1 O=C(NC1CC1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(co1)C[S@@](=O)C[*:1]
O=C(C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)NC1CC1 C1CC1[*:1] O=C(C[S@](=O)Cc1coc(n1)-c1ccc(cc1)[N+](=O)[O-])N[*:1]
O=C(C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)NC1CC1 O=C(C[*:1])NC1CC1 O=[N+]([O-])c1ccc(cc1)-c1nc(co1)C[S@@](=O)[*:1]
O=C(C[S@](=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)NC1CC1 O=[N+]([O-])[*:1] O=C(C[S@](=O)Cc1coc(n1)-c1ccc(cc1)[*:1])NC1CC1
NC(=O)Cc1csc(NC(=O)c2cc(Cl)ccc2F)n1 NC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])c1cc(Cl)ccc1F
NC(=O)Cc1csc(NC(=O)c2cc(Cl)ccc2F)n1 NC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])c1cc(Cl)ccc1F
N#C[C@]1(N)CCC[C@H]1CCOCC1CC1 C1CC1CO[*:1] N#C[C@]1(N)CCC[C@H]1CC[*:1]
N#C[C@]1(N)CCC[C@H]1CCOCC1CC1 C1CC1[*:1] N#C[C@]1(N)CCC[C@H]1CCOC[*:1]
N#C[C@]1(N)CCC[C@H]1CCOCC1CC1 C1CC1C[*:1] N#C[C@]1(N)CCC[C@H]1CCO[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCSc1ccccn1 c1ccc(cc1)[*:1] N#C[C@@H]([C@@H]1CCCN1C(=O)CCSc1ccccn1)[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCSc1ccccn1 c1ccc(nc1)SC[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCSc1ccccn1 c1ccc(nc1)S[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCSc1ccccn1 c1ccc(nc1)[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCS[*:1]
O=C(c1cccc(O)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] O=C(c1cccc(O)c1)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
O=C(c1cccc(O)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 Oc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)[*:1]
Nc1ccccc1NC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] Nc1ccccc1[*:1] O=C(N[C@H]1CCCCC[C@H]1C(=O)[O-])N[*:1]
Nc1ccccc1NC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] Nc1ccccc1NC(=O)N[C@H]1CCCCC[C@@H]1[*:1]
Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)Nc3ccccc3)CC2)s1 Cc1ccc(s1)[*:1] O=C(CC[NH+]1CCC(CC1)NC(=O)[*:1])Nc1ccccc1
Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)Nc3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)NC1CC[NH+](CCC(=O)N[*:1])CC1
COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(=C3CCCC3)C(=O)N4C)CC2)c1 COc1cccc(c1)[*:1] CN1C(=O)C(=C2CCCC2)c2cc(ccc21)S(=O)(=O)N1CCN(CC1)[*:1]
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 O=S(=O)(N1CCOCC1)[*:1] COC(=O)c1ccc(cc1)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 COC(=O)[*:1] O=S(=O)([N-]c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(C(=O)COC(=O)c2ccccc2Cl)cc1 CS(=O)(=O)[*:1] O=C(COC(=O)c1ccccc1Cl)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(C(=O)COC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)COC(=O)[*:1]
COc1cc(CN2CCO[C@@](C)(c3cnn(C)c3)C2)cc([N+](=O)[O-])c1O Cn1cc(cn1)[*:1] COc1cc(cc(c1O)[N+](=O)[O-])CN1CCO[C@@](C)(C1)[*:1]
COc1cc(CN2CCO[C@@](C)(c3cnn(C)c3)C2)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(cc(c1O)[*:1])CN1CCO[C@](C)(C1)c1cnn(C)c1
O=C(CC1CCOCC1)c1cc(C(F)(F)F)ccc1F C1CC(CCO1)[*:1] O=C(C[*:1])c1cc(ccc1F)C(F)(F)F
O=C(CC1CCOCC1)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] O=C(CC1CCOCC1)c1cc(ccc1F)[*:1]
COC(=O)c1c[n+](-c2ccc3c(c2)OCO3)cc2c(O)n(-c3cccc(C)c3)nc12 COC(=O)[*:1] Cc1cccc(c1)-n1nc2c(c[n+](cc2c1O)-c1ccc2OCOc2c1)[*:1]
COC(=O)c1c[n+](-c2ccc3c(c2)OCO3)cc2c(O)n(-c3cccc(C)c3)nc12 Cc1cccc(c1)[*:1] COC(=O)c1c[n+](cc2c(O)n(nc12)[*:1])-c1ccc2OCOc2c1
COC(=O)c1c[n+](-c2ccc3c(c2)OCO3)cc2c(O)n(-c3cccc(C)c3)nc12 c1cc2OCOc2cc1[*:1] COC(=O)c1c[n+](cc2c(O)n(nc12)-c1cccc(C)c1)[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)ccc1C CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1cccc(c1)-c1cn2CCCCc2[nH+]1
CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])C(C)(C)C)C(C)C O=C([O-])[*:1] CC(=O)N[C@@H](C(=O)N(C[*:1])C(C)(C)C)C(C)C
CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])C(C)(C)C)C(C)C CC(C)(C)[*:1] CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])[*:1])C(C)C
CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])C(C)(C)C)C(C)C O=C([O-])C[*:1] CC(=O)N[C@@H](C(=O)N(C(C)(C)C)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])C(C)(C)C)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])C(C)(C)C)[*:1]
CC(=O)N[C@@H](C(=O)N(CC(=O)[O-])C(C)(C)C)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)N(CC(=O)[O-])C(C)(C)C)[*:1]
Cc1cccc(Nc2ncc3c(n2)CC(C)(C)CC3=O)c1 Cc1cccc(c1)[*:1] CC1(C)CC(=O)c2cnc(nc2C1)N[*:1]
CCCNC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CCCNC(=O)c1ccc(cc1Cl)NC(=O)c1ccccc1[*:1]
CCCNC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl CCCNC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1ccccc1[N+](=O)[O-]
CCCNC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl CCC[*:1] O=C(N[*:1])c1ccc(cc1Cl)NC(=O)c1ccccc1[N+](=O)[O-]
CC1CCN(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)c1cnc2ccccc2c1S(=O)(=O)c1ccc(cc1)[*:1]
CC1CCN(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 CC(C)c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1cnc2ccccc2c1S(=O)(=O)[*:1]
CC1CCN(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 CC1CCN(CC1)C(=O)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)c1c(cnc2ccccc12)[*:1]
CC(C)N(C(=O)c1cc(NC(=O)c2ccc3ccccc3c2)c(=O)n(C)c1)C(C)C c1ccc2cc(ccc2c1)[*:1] CC(C)N(C(=O)c1cc(NC(=O)[*:1])c(=O)n(C)c1)C(C)C
CC(C)N(C(=O)c1cc(NC(=O)c2ccc3ccccc3c2)c(=O)n(C)c1)C(C)C CC(C)N(C(=O)[*:1])C(C)C Cn1cc(cc(NC(=O)c2ccc3ccccc3c2)c1=O)[*:1]
CC(C)N(C(=O)c1cc(NC(=O)c2ccc3ccccc3c2)c(=O)n(C)c1)C(C)C CC(C)[*:1] CC(C)N(C(=O)c1cc(NC(=O)c2ccc3ccccc3c2)c(=O)n(C)c1)[*:1]
C[C@@H](Cc1nnc(SCc2nc3ccccc3s2)o1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1nnc(o1)SCc1nc2ccccc2s1)[*:1]
C[C@@H](Cc1nnc(SCc2nc3ccccc3s2)o1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] c1ccc2sc(CSc3nnc(C[*:1])o3)nc2c1
Cc1sc(-c2cccc(Cl)c2)nc1C(=O)N1CCN(c2ncccn2)CC1 Clc1cccc(c1)[*:1] Cc1sc(nc1C(=O)N1CCN(CC1)c1ncccn1)[*:1]
Cc1sc(-c2cccc(Cl)c2)nc1C(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] Cc1sc(nc1C(=O)N1CCN(CC1)[*:1])-c1cccc(Cl)c1
Cn1cc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cn1 Cn1cc(cn1)[*:1] O=C(COc1ccc(cc1)NC(=O)[*:1])N1CCOCC1
Cn1cc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cn1 O=C(N1CCOCC1)[*:1] Cn1cc(cn1)C(=O)Nc1ccc(cc1)OC[*:1]
COCCn1cc(NC(=O)N2CCC[C@H]2c2cccc(OC)c2)cn1 COC[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1cnn(c1)C[*:1]
COCCn1cc(NC(=O)N2CCC[C@H]2c2cccc(OC)c2)cn1 COc1cccc(c1)[*:1] COCCn1cc(cn1)NC(=O)N1CCC[C@@H]1[*:1]
COCCn1cc(NC(=O)N2CCC[C@H]2c2cccc(OC)c2)cn1 COCC[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1cnn(c1)[*:1]
CCc1nc([C@@H](C)NC(=O)NCCCc2cnn(C)c2)cs1 Cn1cc(cn1)C[*:1] CCc1nc(cs1)[C@@H](C)NC(=O)NCC[*:1]
CCc1nc([C@@H](C)NC(=O)NCCCc2cnn(C)c2)cs1 Cn1cc(cn1)[*:1] CCc1nc(cs1)[C@@H](C)NC(=O)NCCC[*:1]
CCc1nc([C@@H](C)NC(=O)NCCCc2cnn(C)c2)cs1 CCc1nc(cs1)[*:1] C[C@@H](NC(=O)NCCCc1cnn(C)c1)[*:1]
C=CCN(CC(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)OCC C=CC[*:1] CCOC(=O)[C@H]1CCCN1C(=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)OCC CCOC(=O)[*:1] C=CCN(CC(=O)[O-])C(=O)N1CCC[C@H]1[*:1]
C=CCN(CC(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)OCC O=C([O-])[*:1] C=CCN(C[*:1])C(=O)N1CCC[C@@H]1C(=O)OCC
C=CCN(CC(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)OCC O=C([O-])C[*:1] C=CCN(C(=O)N1CCC[C@@H]1C(=O)OCC)[*:1]
CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(N3CCCCC3)n1-c1ccccc1)C2=O c1ccc(cc1)[*:1] CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(N3CCCCC3)n1[*:1])C2=O
CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(N3CCCCC3)n1-c1ccccc1)C2=O C1CCN(CC1)[*:1] CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(n1-c1ccccc1)[*:1])C2=O
O=C(NCc1csc(=O)[nH]1)c1ccn(-c2ccc(Cl)cc2)n1 O=c1[nH]c(cs1)C[*:1] O=C(N[*:1])c1ccn(n1)-c1ccc(Cl)cc1
O=C(NCc1csc(=O)[nH]1)c1ccn(-c2ccc(Cl)cc2)n1 O=c1[nH]c(cs1)[*:1] O=C(NC[*:1])c1ccn(n1)-c1ccc(Cl)cc1
O=C(NCc1csc(=O)[nH]1)c1ccn(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] O=C(NCc1csc(=O)[nH]1)c1ccn(n1)[*:1]
COc1ccccc1CNC(=O)Cn1nc(C)n2c(cc3sccc32)c1=O COc1ccccc1[*:1] Cc1nn(CC(=O)NC[*:1])c(=O)c2cc3sccc3n12
COc1ccccc1CNC(=O)Cn1nc(C)n2c(cc3sccc32)c1=O COc1ccccc1C[*:1] Cc1nn(CC(=O)N[*:1])c(=O)c2cc3sccc3n12
CCCc1[nH]nc(C(=O)Nc2cnc(-c3ccccc3)s2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CCCc1[nH]nc(C(=O)Nc2cnc(s2)[*:1])c1[N+](=O)[O-]
CCCc1[nH]nc(C(=O)Nc2cnc(-c3ccccc3)s2)c1[N+](=O)[O-] CCC[*:1] O=C(Nc1cnc(s1)-c1ccccc1)c1n[nH]c(c1[N+](=O)[O-])[*:1]
CCCc1[nH]nc(C(=O)Nc2cnc(-c3ccccc3)s2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCc1[nH]nc(C(=O)Nc2cnc(s2)-c2ccccc2)c1[*:1]
COc1ccccc1N1CCN(C(=O)Cn2c(C)cc(=O)n3nc(-c4ccccc4)nc23)CC1 c1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)Cn1c(C)cc(=O)n2nc(nc12)[*:1]
COc1ccccc1N1CCN(C(=O)Cn2c(C)cc(=O)n3nc(-c4ccccc4)nc23)CC1 COc1ccccc1[*:1] Cc1cc(=O)n2nc(nc2n1CC(=O)N1CCN(CC1)[*:1])-c1ccccc1
COC(=O)c1sccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 COC(=O)[*:1] C[C@H]1C[C@H]1C(=O)Nc1ccc(cc1)C(=O)Nc1ccsc1[*:1]
[NH3+]CC(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 c1ccc(cc1)O[*:1] [NH3+]CC(=O)N1CCC[C@H](C1)c1cncc(n1)[*:1]
[NH3+]CC(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 c1ccc(cc1)[*:1] [NH3+]CC(=O)N1CCC[C@H](C1)c1cncc(n1)O[*:1]
O=C([O-])C[C@H]1C(=O)NN=C2c3ccc(F)cc3N=CN21 O=C([O-])[*:1] O=C1NN=C2c3ccc(F)cc3N=CN2[C@H]1C[*:1]
O=C([O-])C[C@H]1C(=O)NN=C2c3ccc(F)cc3N=CN21 O=C([O-])C[*:1] O=C1NN=C2c3ccc(F)cc3N=CN2[C@H]1[*:1]
CCN(C(=O)COc1ccc(C(N)=O)cc1)c1ccccc1 NC(=O)[*:1] CCN(C(=O)COc1ccc(cc1)[*:1])c1ccccc1
CCN(C(=O)COc1ccc(C(N)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)COc1ccc(cc1)C(N)=O)[*:1]
O[C@H](CCCSc1ccccc1)C1CC1 C1CC1[*:1] O[C@H](CCCSc1ccccc1)[*:1]
O[C@H](CCCSc1ccccc1)C1CC1 O[C@H](C1CC1)[*:1] c1ccc(cc1)SCCC[*:1]
O=C(OC1CCN(CC(F)(F)F)CC1)[C@H]1C[C@H]1c1ccccc1 FC(F)(F)[*:1] O=C(OC1CCN(CC1)C[*:1])[C@H]1C[C@H]1c1ccccc1
O=C(OC1CCN(CC(F)(F)F)CC1)[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(OC1CCN(CC1)CC(F)(F)F)[C@H]1C[C@@H]1[*:1]
O=C(OC1CCN(CC(F)(F)F)CC1)[C@H]1C[C@H]1c1ccccc1 FC(F)(F)C[*:1] O=C(OC1CCN(CC1)[*:1])[C@H]1C[C@H]1c1ccccc1
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C(=O)[O-])[C@H](C)O C[C@H](O)[*:1] C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](C(=O)[O-])[*:1]
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C(=O)[O-])[C@H](C)O O=C([O-])[*:1] C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H]([C@H](C)O)[*:1]
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C(=O)[O-])[C@H](C)O CC(C)(C)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])C(=O)N[C@@H](C(=O)[O-])[C@H](C)O
Cc1nc(C)n(-c2ccc(C(=O)NCCSCC(C)(C)O)cc2)n1 Cc1nc(C)n(n1)[*:1] CC(C)(O)CSCCNC(=O)c1ccc(cc1)[*:1]
Cc1nc(C)n(-c2ccc(C(=O)NCCSCC(C)(C)O)cc2)n1 CC(C)(O)[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)NCCSC[*:1]
Cc1nc(C)n(-c2ccc(C(=O)NCCSCC(C)(C)O)cc2)n1 CC(C)(O)C[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)NCCS[*:1]
Cc1nc(C)n(-c2ccc(C(=O)NCCSCC(C)(C)O)cc2)n1 CC(C)(O)CSCC[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)N[*:1]
Cc1nc(C)n(-c2ccc(C(=O)NCCSCC(C)(C)O)cc2)n1 CC(C)(O)CSC[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)NC[*:1]
Cc1nc(C)n(-c2ccc(C(=O)NCCSCC(C)(C)O)cc2)n1 CC(C)(O)CS[*:1] Cc1nc(C)n(n1)-c1ccc(cc1)C(=O)NCC[*:1]
CC[C@@H](CC1(O)CCCC1)C(C)=O CC(=O)[*:1] CC[C@@H](CC1(O)CCCC1)[*:1]
CCn1c(SCc2ccc(OC)c([N+](=O)[O-])c2)nc2ccccc2c1=O O=[N+]([O-])[*:1] CCn1c(nc2ccccc2c1=O)SCc1ccc(OC)c(c1)[*:1]
Cc1n[nH]cc1C(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 Clc1cccc(c1)C[*:1] Cc1n[nH]cc1C(=O)N[C@@H]1CC(=O)N(C1)C[*:1]
Cc1n[nH]cc1C(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 Cc1n[nH]cc1[*:1] O=C1C[C@H](CN1CCc1cccc(Cl)c1)NC(=O)[*:1]
Cc1n[nH]cc1C(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] Cc1n[nH]cc1C(=O)N[C@@H]1CC(=O)N(CC[*:1])C1
C[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1NC[*:1]
C[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1N[*:1]
C[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 c1ccc(cc1)CN[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1[*:1]
COC(=O)c1cncc(NCc2cc(C)c(F)c(C)c2)n1 COC(=O)[*:1] Cc1cc(cc(C)c1F)CNc1cncc(n1)[*:1]
c1ccc(-c2ccnc(N3CCOCC3)n2)nc1 C1CN(CCO1)[*:1] c1ccc(nc1)-c1ccnc(n1)[*:1]
c1ccc(-c2ccnc(N3CCOCC3)n2)nc1 c1ccc(nc1)[*:1] c1cc(nc(n1)N1CCOCC1)[*:1]
CCc1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 C1CCCN(CC1)[*:1] CCc1ccc(cc1)C(=O)NCc1ccc([nH+]c1)[*:1]
CCc1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 CCc1ccc(cc1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCCCC1)[*:1]
N#CCCN1CCN(Cc2ccc(C#N)cc2)CC1 N#CC[*:1] N#Cc1ccc(cc1)CN1CCN(CC1)C[*:1]
N#CCCN1CCN(Cc2ccc(C#N)cc2)CC1 N#CCC[*:1] N#Cc1ccc(cc1)CN1CCN(CC1)[*:1]
CCC(CC)Oc1ccc(OC)cc1/C=C/C(=O)[O-] CCC(CC)[*:1] COc1ccc(O[*:1])c(/C=C/C(=O)[O-])c1
CCC(CC)Oc1ccc(OC)cc1/C=C/C(=O)[O-] CCC(CC)O[*:1] COc1ccc(c(/C=C/C(=O)[O-])c1)[*:1]
CCC(CC)Oc1ccc(OC)cc1/C=C/C(=O)[O-] O=C([O-])[*:1] CCC(CC)Oc1ccc(cc1C=C[*:1])OC
CCC(CC)Oc1ccc(OC)cc1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] CCC(CC)Oc1ccc(cc1[*:1])OC
CN(C)C(=O)C1(CNC(=O)/C=C/SCc2ccco2)CCCC1 c1coc(c1)CS[*:1] CN(C)C(=O)C1(CCCC1)CNC(=O)C=C[*:1]
CN(C)C(=O)C1(CNC(=O)/C=C/SCc2ccco2)CCCC1 CN(C)C(=O)[*:1] O=C(/C=C/SCc1ccco1)NCC1(CCCC1)[*:1]
CN(C)C(=O)C1(CNC(=O)/C=C/SCc2ccco2)CCCC1 c1coc(c1)[*:1] CN(C)C(=O)C1(CCCC1)CNC(=O)/C=C/SC[*:1]
CN(C)C(=O)C1(CNC(=O)/C=C/SCc2ccco2)CCCC1 c1coc(c1)C[*:1] CN(C)C(=O)C1(CCCC1)CNC(=O)/C=C/S[*:1]
CC[NH2+][C@H](C)c1ccc(O[C@H](C)CC(C)C)cc1 CC(C)C[*:1] CC[NH2+][C@H](C)c1ccc(cc1)O[C@H](C)[*:1]
CC[NH2+][C@H](C)c1ccc(O[C@H](C)CC(C)C)cc1 CC(C)C[C@@H](C)[*:1] CC[NH2+][C@H](C)c1ccc(cc1)O[*:1]
CC[NH2+][C@H](C)c1ccc(O[C@H](C)CC(C)C)cc1 CC(C)[*:1] CC[NH2+][C@H](C)c1ccc(cc1)O[C@H](C)C[*:1]
Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)n[nH]2)on1 c1ccc(cc1)[*:1] Cc1cc(on1)[C@H]1CCCN1C(=O)c1cc(n[nH]1)[*:1]
Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)n[nH]2)on1 Cc1cc(on1)[*:1] O=C(c1cc(n[nH]1)-c1ccccc1)N1CCC[C@@H]1[*:1]
CCn1c([C@@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)nc2ccccc21 CC(=O)N[*:1] CCn1c(nc2ccccc21)[C@@H](C)[NH2+][C@@H](C)c1cccc(c1)[*:1]
C[C@H](NC(=O)[C@H](C)N1CCn2c(nn(C)c2=O)C1)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] C[C@@H](C(=O)N[C@@H](C)[*:1])N1CCn2c(C1)nn(C)c2=O
Cc1cc(C)n2nc(SC/C=C/c3ccccc3)nc2n1 c1ccc(cc1)[*:1] Cc1cc(C)n2nc(nc2n1)SCC=C[*:1]
COCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 COC[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
Cn1cc(NC(=O)OCC(F)(F)F)ccc1=O FC(F)(F)C[*:1] Cn1cc(ccc1=O)NC(=O)O[*:1]
Cn1cc(NC(=O)OCC(F)(F)F)ccc1=O FC(F)(F)[*:1] Cn1cc(ccc1=O)NC(=O)OC[*:1]
O=C(CCc1nnc(-c2ccccc2)nc1[O-])NCCc1cccs1 c1csc(c1)CC[*:1] O=C(CCc1nnc(nc1[O-])-c1ccccc1)N[*:1]
O=C(CCc1nnc(-c2ccccc2)nc1[O-])NCCc1cccs1 c1ccc(cc1)[*:1] O=C(CCc1nnc(nc1[O-])[*:1])NCCc1cccs1
O=C(CCc1nnc(-c2ccccc2)nc1[O-])NCCc1cccs1 c1csc(c1)C[*:1] O=C(CCc1nnc(nc1[O-])-c1ccccc1)NC[*:1]
O=C(CCc1nnc(-c2ccccc2)nc1[O-])NCCc1cccs1 c1csc(c1)[*:1] O=C(CCc1nnc(nc1[O-])-c1ccccc1)NCC[*:1]
CCC(C(=O)OC)(C(F)(F)F)C(F)(F)F COC(=O)[*:1] CCC(C(F)(F)F)(C(F)(F)F)[*:1]
CCC(C(=O)OC)(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] CCC(C(=O)OC)(C(F)(F)F)[*:1]
CCN(Cc1cccs1)C(=O)c1ccc(-n2cnc3ccccc32)cc1 c1csc(c1)C[*:1] CCN(C(=O)c1ccc(cc1)-n1cnc2ccccc21)[*:1]
CCN(Cc1cccs1)C(=O)c1ccc(-n2cnc3ccccc32)cc1 c1csc(c1)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)-n1cnc2ccccc21
CCOc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 c1ncn(n1)[*:1] CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)C[*:1]
CCOc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)Cn1cncn1)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 c1ncn(C[*:1])n1 CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
COc1cc(Br)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cc1O c1ccc(cc1)[*:1] COc1cc(Br)c(cc1O)C[NH2+]C[C@@H]1CN(CCO1)C[*:1]
COc1cc(Br)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cc1O c1ccc(cc1)C[*:1] COc1cc(Br)c(cc1O)C[NH2+]C[C@@H]1CN(CCO1)[*:1]
C=CCN1CCN(C(=O)c2cccnc2)[C@@H](C(=O)NCc2ccccc2)C1 C=CC[*:1] O=C(NCc1ccccc1)[C@H]1CN(CCN1C(=O)c1cccnc1)[*:1]
C=CCN1CCN(C(=O)c2cccnc2)[C@@H](C(=O)NCc2ccccc2)C1 c1cncc(c1)[*:1] C=CCN1CCN(C(=O)[*:1])[C@H](C1)C(=O)NCc1ccccc1
C=CCN1CCN(C(=O)c2cccnc2)[C@@H](C(=O)NCc2ccccc2)C1 c1ccc(cc1)C[*:1] C=CCN1CCN(C(=O)c2cccnc2)[C@H](C1)C(=O)N[*:1]
C=CCN1CCN(C(=O)c2cccnc2)[C@@H](C(=O)NCc2ccccc2)C1 c1ccc(cc1)[*:1] C=CCN1CCN(C(=O)c2cccnc2)[C@H](C1)C(=O)NC[*:1]
COC(=O)CSCCC(=O)N[C@@H]1CCCc2ccc(F)cc21 COC(=O)CSC[*:1] O=C(C[*:1])N[C@@H]1CCCc2ccc(F)cc21
COC(=O)CSCCC(=O)N[C@@H]1CCCc2ccc(F)cc21 COC(=O)C[*:1] O=C(CCS[*:1])N[C@@H]1CCCc2ccc(F)cc21
COC(=O)CSCCC(=O)N[C@@H]1CCCc2ccc(F)cc21 COC(=O)CS[*:1] O=C(CC[*:1])N[C@@H]1CCCc2ccc(F)cc21
COC(=O)CSCCC(=O)N[C@@H]1CCCc2ccc(F)cc21 COC(=O)[*:1] O=C(CCSC[*:1])N[C@@H]1CCCc2ccc(F)cc21
O=C(Cc1cccs1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 c1csc(c1)C[*:1] O=C(N(C1CC1)[C@H]1CCS(=O)(=O)C1)[*:1]
O=C(Cc1cccs1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C(Cc1cccs1)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(Cc1cccs1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] O=C(C[*:1])N(C1CC1)[C@H]1CCS(=O)(=O)C1
CCCC(=CC(=O)N1CCS[C@H]2COCC[C@H]21)CCC CCC[*:1] CCCC(=CC(=O)N1CCS[C@H]2COCC[C@H]21)[*:1]
Cc1cnc([C@H](C)NC(=O)C2(c3ccc(F)cc3F)CCCC2)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)C1(CCCC1)c1ccc(F)cc1F)[*:1]
Cc1cnc([C@H](C)NC(=O)C2(c3ccc(F)cc3F)CCCC2)s1 Fc1ccc(c(F)c1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)C1(CCCC1)[*:1]
COc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(cc(-c2nc3ccccc3s2)c1O)NC(=S)NC(=O)[*:1]
COc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1OC c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1OC)C(=O)NC(=S)Nc1cc(C)c(O)c(c1)[*:1]
CN1CCN(C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CC1 CC(C)(C)[*:1] CN1CCN(CC1)C(=O)[C@H]1CSCN1C(=O)C[*:1]
CN1CCN(C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CC1 CC(C)(C)C[*:1] CN1CCN(CC1)C(=O)[C@H]1CSCN1C(=O)[*:1]
CC(C)(C)c1cnc(CSc2cc(N)ccc2Cl)o1 CC(C)(C)[*:1] Nc1ccc(Cl)c(c1)SCc1ncc(o1)[*:1]
COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2COc3ccccc32)c1 COc1cccc(c1)[*:1] C[C@H](CC(=O)N[*:1])[NH2+][C@H]1COc2ccccc21
Cc1cccc(NC(=O)Cn2nc3ccc(SC(C)C)nn3c2=O)c1 Cc1cccc(c1)[*:1] CC(C)Sc1ccc2nn(CC(=O)N[*:1])c(=O)n2n1
Cc1cccc(NC(=O)Cn2nc3ccc(SC(C)C)nn3c2=O)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)Cn1nc2ccc(nn2c1=O)S[*:1]
Cc1cccc(NC(=O)Cn2nc3ccc(SC(C)C)nn3c2=O)c1 CC(C)S[*:1] Cc1cccc(c1)NC(=O)Cn1nc2ccc(nn2c1=O)[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1Cn1cccn1 c1cnn(c1)C[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1Cn1cccn1 c1cnn(c1)[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C[*:1]
Cc1cc(C(=O)N2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)[nH]n1 c1ccc(cc1)[*:1] Cc1cc([nH]n1)C(=O)N1CCO[C@H](CC(c2ccccc2)[*:1])C1
Cc1cc(C(=O)N2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)[nH]n1 Cc1cc([nH]n1)[*:1] O=C(N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1)[*:1]
CCC[C@H](CS)CSc1ccc(F)cc1 CCC[*:1] Fc1ccc(cc1)SC[C@@H](CS)[*:1]
CCn1nc(C(=O)NNC(=O)Cc2ccc3c(c2)CCC3)c2ccccc2c1=O c1cc2CCCc2cc1[*:1] CCn1nc(C(=O)NNC(=O)C[*:1])c2ccccc2c1=O
CCC(CC)c1nnc(NC(=O)COc2ccc(Cl)c(C)c2)s1 CCC(CC)[*:1] Cc1cc(ccc1Cl)OCC(=O)Nc1nnc(s1)[*:1]
Cc1c(/C=C(\C#N)C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc(C#N)n1C Cc1c(cc(C#N)n1C)[*:1] N#CC(=C[*:1])C(=O)Nc1ccc2NC(=O)CCc2c1
COc1ccc(N2C[C@H](NC(=O)N(C)C3CCCCC3)CC2=O)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)N1C[C@@H](CC1=O)NC(=O)N(C)[*:1]
Cc1nc(-c2cccc(NC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)c2)cs1 Cc1nc(cs1)[*:1] O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(c1)[*:1]
CCOc1cccc(/C=C2\[NH+]=C(C)OC2=O)c1O CCO[*:1] CC1=[NH+]/C(=C\c2cccc(c2O)[*:1])C(=O)O1
C[NH+]1CCCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 O=C([O-])[*:1] C[NH+]1CCCN(CC1)S(=O)(=O)Cc1ccc(cc1)[*:1]
CS(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 Fc1ccccc1[*:1] CS(=O)(=O)N1CCC(CC1)[NH2+]Cc1ccc(s1)[*:1]
CCOC(=O)[C@@H]1CCCCN1C(=O)c1csc2nc(-c3ccccc3C)cn12 Cc1ccccc1[*:1] CCOC(=O)[C@@H]1CCCCN1C(=O)c1csc2nc(cn12)[*:1]
CCOC(=O)[C@@H]1CCCCN1C(=O)c1csc2nc(-c3ccccc3C)cn12 CCOC(=O)[*:1] Cc1ccccc1-c1cn2c(csc2n1)C(=O)N1CCCC[C@H]1[*:1]
COC[C@@H](C(=O)OC)[C@@](O)(c1nccn1C)C(F)(F)F COC[*:1] COC(=O)[C@@H]([C@@](O)(c1nccn1C)C(F)(F)F)[*:1]
COC[C@@H](C(=O)OC)[C@@](O)(c1nccn1C)C(F)(F)F FC(F)(F)[*:1] COC[C@@H](C(=O)OC)[C@@](O)(c1nccn1C)[*:1]
COC[C@@H](C(=O)OC)[C@@](O)(c1nccn1C)C(F)(F)F Cn1ccnc1[*:1] COC[C@@H](C(=O)OC)[C@@](O)(C(F)(F)F)[*:1]
COC[C@@H](C(=O)OC)[C@@](O)(c1nccn1C)C(F)(F)F COC(=O)[*:1] COC[C@@H]([C@@](O)(c1nccn1C)C(F)(F)F)[*:1]
CC(C)N1CCO[C@H](c2ncc(N)cn2)C1 CC(C)[*:1] Nc1cnc(nc1)[C@@H]1CN(CCO1)[*:1]
CC[C@@H](C)[C@H](NC(=O)/C=C/c1cc2ccccc2o1)C(N)=O CC[C@@H](C)[*:1] NC(=O)[C@@H](NC(=O)/C=C/c1cc2ccccc2o1)[*:1]
CC[C@@H](C)[C@H](NC(=O)/C=C/c1cc2ccccc2o1)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@H](NC(=O)/C=C/c1cc2ccccc2o1)[*:1]
Cc1ccc([C@@H](C)NC(=O)CN(C)c2ccccc2[N+](=O)[O-])o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[*:1]
Cc1ccc([C@@H](C)NC(=O)CN(C)c2ccccc2[N+](=O)[O-])o1 O=[N+]([O-])[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)CN(C)c1ccccc1[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)[C@H](C)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cnn(c1)C[C@H]1CCCN1C(=O)[C@H](C)[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)[C@H](C)N2CCOCC2)c1 Cc1cnn(c1)C[*:1] C[C@@H](C(=O)N1CCC[C@@H]1[*:1])N1CCOCC1
Cc1cnn(C[C@H]2CCCN2C(=O)[C@H](C)N2CCOCC2)c1 Cc1cnn(c1)[*:1] C[C@@H](C(=O)N1CCC[C@@H]1C[*:1])N1CCOCC1
CC[C@H](CSC)N(C)C(=O)Nc1ccc(F)c(C#N)c1 CSC[*:1] CC[C@H](N(C)C(=O)Nc1ccc(F)c(C#N)c1)[*:1]
Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCCc2ccccc2)c1 Cc1ccccc1[*:1] O=C(NCCc1ccccc1)[C@H]1CCCN1C(=O)c1cccc(c1)NC(=O)[*:1]
Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccccc1C(=O)Nc1cccc(c1)C(=O)N1CCC[C@@H]1C(=O)NC[*:1]
Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCCc2ccccc2)c1 Cc1ccccc1C(=O)N[*:1] O=C(NCCc1ccccc1)[C@H]1CCCN1C(=O)c1cccc(c1)[*:1]
Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCCc2ccccc2)c1 c1ccc(cc1)CC[*:1] Cc1ccccc1C(=O)Nc1cccc(c1)C(=O)N1CCC[C@@H]1C(=O)N[*:1]
Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCCc2ccccc2)c1 O=C(NCCc1ccccc1)[*:1] Cc1ccccc1C(=O)Nc1cccc(c1)C(=O)N1CCC[C@H]1[*:1]
Cc1ccccc1C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)Nc1cccc(c1)C(=O)N1CCC[C@@H]1C(=O)NCC[*:1]
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)n1 Cc1cc(C)nc(n1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccccc1F
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)n1 Fc1ccccc1[*:1] Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(OC)c(OC)c1)CC2 CCOC(=O)N[*:1] COc1ccc(cc1OC)S(=O)(=O)N1CCc2nc(sc2C1)[*:1]
CCOc1ccccc1Nc1nc(-c2ccc(O)cc2)cs1 CCO[*:1] Oc1ccc(cc1)-c1csc(n1)Nc1ccccc1[*:1]
CCOc1ccccc1Nc1nc(-c2ccc(O)cc2)cs1 Oc1ccc(cc1)[*:1] CCOc1ccccc1Nc1nc(cs1)[*:1]
Nc1ccccc1C(=O)N1CCC(c2nnc(-c3ccccc3)o2)CC1 c1ccc(cc1)[*:1] Nc1ccccc1C(=O)N1CCC(CC1)c1nnc(o1)[*:1]
Nc1ccccc1C(=O)N1CCC(c2nnc(-c3ccccc3)o2)CC1 Nc1ccccc1[*:1] O=C(N1CCC(CC1)c1nnc(o1)-c1ccccc1)[*:1]
CC[C@@](C)(NS(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NS(=O)(=O)c1ccc(Cl)s1)[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc(NC(=O)c3ccco3)cc2Cl)cc1 O=C(N[*:1])c1ccco1 CS(=O)(=O)c1ccc(cc1)C(=O)Nc1c(Cl)cc(cc1Cl)[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc(NC(=O)c3ccco3)cc2Cl)cc1 c1coc(c1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1c(Cl)cc(cc1Cl)NC(=O)[*:1]
CS(=O)(=O)c1ccc(C(=O)Nc2c(Cl)cc(NC(=O)c3ccco3)cc2Cl)cc1 CS(=O)(=O)[*:1] O=C(Nc1c(Cl)cc(cc1Cl)NC(=O)c1ccco1)c1ccc(cc1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)Cc1ccc(Cl)cc1
C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CCc1ccccc1)NC(=O)C[*:1]
C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)Cc1ccc(Cl)cc1
CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 CCO[*:1] O=[N+]([O-])c1cccc(c1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[*:1]
O=C(Nc1cnn(-c2ncccn2)c1)N1CCOC[C@@H]1C1CC1 c1cnc(nc1)[*:1] O=C(Nc1cnn(c1)[*:1])N1CCOC[C@@H]1C1CC1
O=C(Nc1cnn(-c2ncccn2)c1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(Nc1cnn(c1)-c1ncccn1)N1CCOC[C@H]1[*:1]
COc1nc(N)c(S(=O)(=O)c2ccc(F)cc2)cc1C#N Fc1ccc(cc1)[*:1] COc1nc(N)c(cc1C#N)S(=O)(=O)[*:1]
COc1ccc(F)cc1NC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)N(C)Cc1c(C)nn(c1C)[*:1]
COc1ccc(F)cc1NC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C COc1ccc(F)cc1[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)N[*:1]
CC(C)c1nc(NC(=O)N[C@H](c2ccc(F)cc2F)C(C)C)n(C)n1 CC(C)[*:1] CC(C)[C@H](NC(=O)Nc1nc(nn1C)[*:1])c1ccc(F)cc1F
CC(C)c1nc(NC(=O)N[C@H](c2ccc(F)cc2F)C(C)C)n(C)n1 CC(C)[*:1] CC(C)c1nc(NC(=O)N[C@H](c2ccc(F)cc2F)[*:1])n(C)n1
CC(C)c1nc(NC(=O)N[C@H](c2ccc(F)cc2F)C(C)C)n(C)n1 Fc1ccc(c(F)c1)[*:1] CC(C)c1nc(NC(=O)N[C@H](C(C)C)[*:1])n(C)n1
COC(=O)[C@H]1CCN(C(=O)c2cccc(-n3cccn3)n2)c2ccccc21 c1cnn(c1)[*:1] COC(=O)[C@H]1CCN(C(=O)c2cccc(n2)[*:1])c2ccccc21
COC(=O)[C@H]1CCN(C(=O)c2cccc(-n3cccn3)n2)c2ccccc21 COC(=O)[*:1] O=C(c1cccc(n1)-n1cccn1)N1CC[C@@H](c2ccccc21)[*:1]
C[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(cc1)C(F)(F)F)[*:1]
C[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1)n1cccn1 FC(F)(F)[*:1] C[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(cc1)[*:1])n1cccn1
C[C@H](Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)NC(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](Nc1ccc(cc1)NC(=O)c1ccc(Cl)cc1)C(=O)NC(=O)N[*:1]
C[C@H](Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)NC(=O)NC(C)(C)C Clc1ccc(cc1)[*:1] C[C@H](Nc1ccc(cc1)NC(=O)[*:1])C(=O)NC(=O)NC(C)(C)C
O=C(c1scnc1C1CC1)N1CCC(c2nc3ccccc3o2)CC1 c1nc(c(s1)[*:1])C1CC1 O=C(N1CCC(CC1)c1nc2ccccc2o1)[*:1]
O=C(c1scnc1C1CC1)N1CCC(c2nc3ccccc3o2)CC1 C1CC1[*:1] O=C(c1scnc1[*:1])N1CCC(CC1)c1nc2ccccc2o1
COc1ccc(OC)c(/C=N/O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 Cc1ccc(Cl)cc1[*:1] COc1ccc(OC)c(/C=N/O[C@H](C)C(=O)N[*:1])c1
C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)c1cccc(Cl)c1 Fc1ccc(cc1)[*:1] C[C@@H](OC(=O)C1CCN(CC1)C(=O)[*:1])C(=O)c1cccc(Cl)c1
C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)c1cccc(Cl)c1 O=C(c1cccc(Cl)c1)[*:1] C[C@@H](OC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)[*:1]
C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](OC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)C(=O)[*:1]
Cc1csc(-n2nnc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c2C)n1 Cc1csc(n1)[*:1] Cc1c(nnn1[*:1])C(=O)N1C[C@@H](C)C[C@@H](C)C1
CCCOc1ccc(Cl)cc1NC(=O)NCc1ncn(C)n1 Cn1cnc(C[*:1])n1 CCCOc1ccc(Cl)cc1NC(=O)N[*:1]
CCCOc1ccc(Cl)cc1NC(=O)NCc1ncn(C)n1 CCCO[*:1] Cn1cnc(CNC(=O)Nc2cc(Cl)ccc2[*:1])n1
CCCOc1ccc(Cl)cc1NC(=O)NCc1ncn(C)n1 CCC[*:1] Cn1cnc(CNC(=O)Nc2cc(Cl)ccc2O[*:1])n1
CCCOc1ccc(Cl)cc1NC(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CCCOc1ccc(Cl)cc1NC(=O)NC[*:1]
Cc1ccc(CCC(=O)N(C)[C@H](C)Cc2ccsc2)cc1 c1cc(cs1)C[*:1] Cc1ccc(cc1)CCC(=O)N(C)[C@H](C)[*:1]
Cc1ccc(CCC(=O)N(C)[C@H](C)Cc2ccsc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](Cc1ccsc1)N(C)C(=O)CC[*:1]
Cc1ccc(CCC(=O)N(C)[C@H](C)Cc2ccsc2)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)CCC(=O)N(C)[C@H](C)C[*:1]
CC(C)=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)=NNC(=O)CN(c1ccccc1)S(=O)(=O)[*:1]
CC(C)=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 CC(C)=NNC(=O)C[*:1] O=S(=O)(c1ccccc1)N(c1ccccc1)[*:1]
CC(C)=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 CC(C)=NNC(=O)[*:1] O=S(=O)(c1ccccc1)N(C[*:1])c1ccccc1
CC(C)=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)=NNC(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
CCN1CCN(C(=O)CCc2nnc3ccc(NCc4cccnc4)nn23)CC1 c1cncc(c1)CN[*:1] CCN1CCN(CC1)C(=O)CCc1nnc2ccc(nn12)[*:1]
CCN1CCN(C(=O)CCc2nnc3ccc(NCc4cccnc4)nn23)CC1 c1cncc(c1)[*:1] CCN1CCN(CC1)C(=O)CCc1nnc2ccc(nn12)NC[*:1]
CCN1CCN(C(=O)CCc2nnc3ccc(NCc4cccnc4)nn23)CC1 c1cncc(c1)C[*:1] CCN1CCN(CC1)C(=O)CCc1nnc2ccc(nn12)N[*:1]
CCOc1ccc(-c2nc(-c3cc(C)nc4ccccc34)no2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])-c1nc(no1)-c1cc(C)nc2ccccc12
CCOc1ccc(-c2nc(-c3cc(C)nc4ccccc34)no2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])-c1nc(no1)-c1cc(C)nc2ccccc12
[NH3+]CCN1CC[NH+](Cc2ccncc2)CC1 [NH3+]CC[*:1] c1cc(ccn1)C[NH+]1CCN(CC1)[*:1]
Cc1ccc(C)c([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)c1 Cc1ccccc1C[*:1] Cc1ccc(C)c(c1)[C@@H]1CC(=O)Nc2c1c(=O)nc(S[*:1])n2C
Cc1ccc(C)c([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccccc1CSc1nc(=O)c2c(NC(=O)C[C@H]2[*:1])n1C
Cc1ccc(C)c([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)c1 Cc1ccccc1[*:1] Cc1ccc(C)c(c1)[C@@H]1CC(=O)Nc2c1c(=O)nc(SC[*:1])n2C
Cc1ccc(C)c([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)c1 Cc1ccccc1CS[*:1] Cc1ccc(C)c(c1)[C@@H]1CC(=O)Nc2c1c(=O)nc(n2C)[*:1]
Cc1cc(C[NH+](CC(=O)[O-])C(C)(C)C)no1 CC(C)(C)[*:1] Cc1cc(C[NH+](CC(=O)[O-])[*:1])no1
Cc1cc(C[NH+](CC(=O)[O-])C(C)(C)C)no1 O=C([O-])[*:1] Cc1cc(C[NH+](C[*:1])C(C)(C)C)no1
CCc1nsc(N2CCN(C(=O)[C@@H](C)Sc3ccccn3)CC2)n1 c1ccc(nc1)[*:1] CCc1nsc(n1)N1CCN(CC1)C(=O)[C@@H](C)S[*:1]
CCc1nsc(N2CCN(C(=O)[C@@H](C)Sc3ccccn3)CC2)n1 CCc1nsc(n1)[*:1] C[C@@H](Sc1ccccn1)C(=O)N1CCN(CC1)[*:1]
CCc1nsc(N2CCN(C(=O)[C@@H](C)Sc3ccccn3)CC2)n1 c1ccc(nc1)S[*:1] CCc1nsc(n1)N1CCN(CC1)C(=O)[C@@H](C)[*:1]
CC/C=C(/C)C(=O)N[C@H](C)c1ccc(C)c(F)c1 CCC=C(C)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)[*:1]
CC[C@@H](C)C(=O)Nc1cccc(Cl)c1-n1cccn1 CC[C@@H](C)[*:1] O=C(Nc1cccc(Cl)c1-n1cccn1)[*:1]
CC[C@@H](C)C(=O)Nc1cccc(Cl)c1-n1cccn1 c1cnn(c1)[*:1] CC[C@@H](C)C(=O)Nc1cccc(Cl)c1[*:1]
CC(=O)Nc1ccccc1CN1C[C@H](c2ccccc2Cl)OC[C@@H]1C CC(=O)N[*:1] C[C@H]1CO[C@H](CN1Cc1ccccc1[*:1])c1ccccc1Cl
CC(=O)Nc1ccccc1CN1C[C@H](c2ccccc2Cl)OC[C@@H]1C Clc1ccccc1[*:1] CC(=O)Nc1ccccc1CN1C[C@H](OC[C@@H]1C)[*:1]
CCC(=O)N1CCCN(C(=O)NCCOc2ccccc2)CC1 c1ccc(cc1)[*:1] CCC(=O)N1CCCN(CC1)C(=O)NCCO[*:1]
CCC(=O)N1CCCN(C(=O)NCCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] CCC(=O)N1CCCN(CC1)C(=O)NCC[*:1]
C[C@H](OC(=O)c1csc(-c2ccccc2Cl)n1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](OC(=O)c1csc(n1)-c1ccccc1Cl)[*:1]
C[C@H](OC(=O)c1csc(-c2ccccc2Cl)n1)c1ccccn1 Clc1ccccc1[*:1] C[C@H](OC(=O)c1csc(n1)[*:1])c1ccccn1
Cc1nn(CSc2nnc(C)n2/N=C/c2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CSc2nnc(C)n2/N=C/c2ccc(Cl)cc2)c(C)c1[*:1]
Cc1nn(CSc2nnc(C)n2/N=C/c2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] Clc1ccc(cc1)[*:1] Cc1nn(CSc2nnc(C)n2N=C[*:1])c(C)c1[N+](=O)[O-]
COC(=O)[C@@]1(F)CCN(Cc2ccc(C(C)(C)C)s2)C1 CC(C)(C)[*:1] COC(=O)[C@@]1(F)CCN(Cc2ccc(s2)[*:1])C1
COC(=O)[C@@]1(F)CCN(Cc2ccc(C(C)(C)C)s2)C1 COC(=O)[*:1] CC(C)(C)c1ccc(CN2CC[C@](F)(C2)[*:1])s1
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1OC(F)F Cc1cccc(C)c1[*:1] O=C(CNC(=O)c1ccccc1OC(F)F)N[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1OC(F)F FC(F)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1O[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1OC(F)F FC(F)O[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1[*:1]
Cc1cccc(C)c1N1C(=O)C[C@H](N2CCN(CCOc3ccc(Cl)cc3)CC2)C1=O Clc1ccc(cc1)OCC[*:1] Cc1cccc(C)c1N1C(=O)C[C@@H](C1=O)N1CCN(CC1)[*:1]
Cc1cccc(C)c1N1C(=O)C[C@H](N2CCN(CCOc3ccc(Cl)cc3)CC2)C1=O Clc1ccc(cc1)[*:1] Cc1cccc(C)c1N1C(=O)C[C@@H](C1=O)N1CCN(CCO[*:1])CC1
Cc1cccc(C)c1N1C(=O)C[C@H](N2CCN(CCOc3ccc(Cl)cc3)CC2)C1=O Clc1ccc(cc1)OC[*:1] Cc1cccc(C)c1N1C(=O)C[C@@H](C1=O)N1CCN(CC1)C[*:1]
Cc1cccc(C)c1N1C(=O)C[C@H](N2CCN(CCOc3ccc(Cl)cc3)CC2)C1=O Clc1ccc(cc1)O[*:1] Cc1cccc(C)c1N1C(=O)C[C@@H](C1=O)N1CCN(CC1)CC[*:1]
Cc1cccc(C)c1N1C(=O)C[C@H](N2CCN(CCOc3ccc(Cl)cc3)CC2)C1=O Cc1cccc(C)c1[*:1] O=C1C[C@@H](C(=O)N1[*:1])N1CCN(CCOc2ccc(Cl)cc2)CC1
COc1ccccc1[C@@H]1CCCN1C(=O)CSc1ccc(F)cc1 COc1ccccc1[*:1] O=C(CSc1ccc(F)cc1)N1CCC[C@H]1[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)CSc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)CS[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)CSc1ccc(F)cc1 Fc1ccc(cc1)S[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)C[*:1]
CC1(C)COc2cc(NS(=O)(=O)c3cccs3)ccc2NC1=O c1csc(c1)[*:1] CC1(C)COc2cc(ccc2NC1=O)NS(=O)(=O)[*:1]
CCCn1c([O-])c(C(=O)Nc2nc(-c3ccccc3)cs2)c(=O)c2ccccc21 c1ccc(cc1)[*:1] CCCn1c([O-])c(C(=O)Nc2nc(cs2)[*:1])c(=O)c2ccccc21
CCCn1c([O-])c(C(=O)Nc2nc(-c3ccccc3)cs2)c(=O)c2ccccc21 CCC[*:1] O=C(Nc1nc(cs1)-c1ccccc1)c1c([O-])n(c2ccccc2c1=O)[*:1]
CC(C)CNC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1 CC(C)[*:1] CN(Cc1ccccc1)c1ccccc1NC(=O)C(=O)NC[*:1]
CC(C)CNC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)CNC(=O)C(=O)Nc1ccccc1N(C)[*:1]
CC(C)CNC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1 CC(C)C[*:1] CN(Cc1ccccc1)c1ccccc1NC(=O)C(=O)N[*:1]
CC(C)CNC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)CNC(=O)C(=O)Nc1ccccc1N(C)C[*:1]
CC(=O)N(C)c1cccc(NC(=O)N(CCO)Cc2ccccc2)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])N(CCO)Cc1ccccc1
CC(=O)N(C)c1cccc(NC(=O)N(CCO)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N(CCO)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N(CCO)Cc2ccccc2)c1 OCC[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N(Cc1ccccc1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)N(CCO)Cc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)N(CCO)C[*:1]
O=C(N[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C([C@H](NC(=O)[*:1])c1ccccc1)N1CCN(CC1)c1cccc[nH+]1
O=C(N[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1)c1c(F)cccc1F c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1])c1c(F)cccc1F
CC(C)(C)n1nccc1NC(=O)C(=O)NCCc1cccc(O)c1 Oc1cccc(c1)C[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)NC[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)NCCc1cccc(O)c1 CC(C)(C)[*:1] O=C(NCCc1cccc(O)c1)C(=O)Nc1ccnn1[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)NCCc1cccc(O)c1 Oc1cccc(c1)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)NCC[*:1]
CC(C)CCC[C@H](C)NC(=O)c1csc(C#CCN)c1 CC(C)CCC[*:1] C[C@H](NC(=O)c1csc(C#CCN)c1)[*:1]
CC(C)CCC[C@H](C)NC(=O)c1csc(C#CCN)c1 CC(C)CC[*:1] C[C@@H](C[*:1])NC(=O)c1csc(C#CCN)c1
CC(C)CCC[C@H](C)NC(=O)c1csc(C#CCN)c1 CC(C)C[*:1] C[C@@H](CC[*:1])NC(=O)c1csc(C#CCN)c1
CC(C)CCC[C@H](C)NC(=O)c1csc(C#CCN)c1 CC(C)[*:1] C[C@@H](CCC[*:1])NC(=O)c1csc(C#CCN)c1
CC(C)CCC[C@H](C)NC(=O)c1csc(C#CCN)c1 NCC#C[*:1] CC(C)CCC[C@H](C)NC(=O)c1csc(c1)[*:1]
Cc1n[nH]c(C)c1/N=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1n[nH]c(C)c1/N=C/c1ccc(cc1)[*:1]
C[C@H](CC1CC1)[NH2+][C@@H]1CCc2n[nH]cc2C1 C1CC1C[*:1] C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[*:1]
C[C@H](CC1CC1)[NH2+][C@@H]1CCc2n[nH]cc2C1 C1CC1[*:1] C[C@H](C[*:1])[NH2+][C@@H]1CCc2n[nH]cc2C1
COc1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc1F O=[N+]([O-])[*:1] COc1ccc(cc1F)CNc1ccc(c2cccnc12)[*:1]
CCN(CC)C(=O)COc1cccc(NC(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1 CCN(CC)C(=O)C[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)Nc1cccc(c1)O[*:1]
CCN(CC)C(=O)COc1cccc(NC(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1 CCN(CC)C(=O)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)Nc1cccc(c1)OC[*:1]
CCN(CC)C(=O)COc1cccc(NC(=O)N(C)[C@@H]2CCC[C@H](C)C2)c1 CCN(CC)C(=O)CO[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)Nc1cccc(c1)[*:1]
C[C@H](NC(=O)[C@@H](C)N1CC[S@@](=O)C(C)(C)C1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)N1CC[S@@](=O)C(C)(C)C1)[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCN(CC(=O)NC(C)C)C(=O)c1ccc(Br)c(c1)[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 CC(C)NC(=O)[*:1] CCN(C[*:1])C(=O)c1ccc(Br)c(c1)[N+](=O)[O-]
CCN(CC(=O)NC(C)C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 CC(C)NC(=O)C[*:1] CCN(C(=O)c1ccc(Br)c(c1)[N+](=O)[O-])[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 CC(C)[*:1] CCN(CC(=O)N[*:1])C(=O)c1ccc(Br)c(c1)[N+](=O)[O-]
O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(COC(=O)c1c2CCCc2nc2ccccc12)Nc1cccc(c1)[*:1]
COc1ccc(NC(=O)Cn2c(C)nc3c(sc4nc(C)cc(C)c43)c2=O)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)N[*:1])c(C)nc12
Cc1ccc(N)c(N2CCC[C@H]2C2CCCC2)c1 C1CCC(C1)[*:1] Cc1ccc(N)c(c1)N1CCC[C@@H]1[*:1]
CCCCc1nnc(SCc2ccc(Cl)c3cccnc23)n1N CCC[*:1] Nn1c(C[*:1])nnc1SCc1ccc(Cl)c2cccnc12
CCCCc1nnc(SCc2ccc(Cl)c3cccnc23)n1N CCCC[*:1] Nn1c(nnc1[*:1])SCc1ccc(Cl)c2cccnc12
C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccccc1F CC(C)(C)NC(=O)[*:1] C=CCN(C(=O)c1csnn1)[C@H](c1ccccc1F)[*:1]
C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccccc1F C=CC[*:1] CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)c1csnn1)[*:1]
C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccccc1F Fc1ccccc1[*:1] C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)[*:1]
C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccccc1F CC(C)(C)[*:1] C=CCN(C(=O)c1csnn1)[C@H](C(=O)N[*:1])c1ccccc1F
C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccccc1F c1snnc1[*:1] C=CCN(C(=O)[*:1])[C@H](C(=O)NC(C)(C)C)c1ccccc1F
CCN(CC)C(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O Fc1ccc(cc1)[*:1] CCN(CC)C(=O)Cn1c(nc(C)cc1=O)[*:1]
CCN(CC)C(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O CCN(CC)C(=O)[*:1] Cc1cc(=O)n(C[*:1])c(n1)-c1ccc(F)cc1
Cc1ccc2c(c1)CCN2C(=O)CCc1ncc(-c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc2c(c1)CCN2C(=O)CCc1ncc(o1)[*:1]
O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(=O)n(n1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1F
O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(=O)n(C[*:1])n1)N1CCN(CC1)S(=O)(=O)c1ccccc1F
O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCN(CC1)S(=O)(=O)[*:1]
CN1C[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)CC1=O Clc1ccccc1[*:1] CN1C[C@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
C[C@@H](CC(=O)NCc1ccc(N2CCCC2)[nH+]c1)Cc1ccc(Cl)cc1 C1CCN(C1)[*:1] C[C@@H](CC(=O)NCc1ccc([nH+]c1)[*:1])Cc1ccc(Cl)cc1
C[C@@H](CC(=O)NCc1ccc(N2CCCC2)[nH+]c1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@@H](CC(=O)NCc1ccc([nH+]c1)N1CCCC1)[*:1]
C[C@@H](CC(=O)NCc1ccc(N2CCCC2)[nH+]c1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)NCc1ccc([nH+]c1)N1CCCC1)C[*:1]
CCOC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 Cc1ccc(cc1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)NC[C@H]([NH+](C)C)[*:1]
CCOC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 CCOC[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)N1CC[C@H](C1)[*:1])[NH+](C)C
CCOC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 CCO[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)N1CC[C@H](C1)C[*:1])[NH+](C)C
CC(=O)NNC(=O)c1ccsc1NC(=O)CCSc1ccccc1 c1ccc(cc1)[*:1] CC(=O)NNC(=O)c1ccsc1NC(=O)CCS[*:1]
CC(=O)NNC(=O)c1ccsc1NC(=O)CCSc1ccccc1 c1ccc(cc1)S[*:1] CC(=O)NNC(=O)c1ccsc1NC(=O)CC[*:1]
CC(=O)NNC(=O)c1ccsc1NC(=O)CCSc1ccccc1 CC(=O)NNC(=O)[*:1] O=C(CCSc1ccccc1)Nc1sccc1[*:1]
CC(=O)NNC(=O)c1ccsc1NC(=O)CCSc1ccccc1 c1ccc(cc1)SC[*:1] CC(=O)NNC(=O)c1ccsc1NC(=O)C[*:1]
CN1C(=O)c2ccc(C(=O)Nc3ccc4oc(C5CC5)nc4c3)cc2C1=O C1CC1[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc2oc(nc2c1)[*:1]
COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 c1cnc2nc(oc2c1)[*:1] COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 COc1ccc(Br)cc1[*:1] O=C(C=C[*:1])Nc1ccc(cc1)-c1nc2ncccc2o1
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C)C[C@H]2C)c(F)c1 CC(C)[*:1] C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(cc2F)O[*:1])[C@H](C)C1
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C)C[C@H]2C)c(F)c1 CC(C)O[*:1] C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(cc2F)[*:1])[C@H](C)C1
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Sc2cccs2)C1 O=C([O-])[*:1] CC(C)[NH2+][C@]1(CC[C@H](C1)Sc1cccs1)[*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Sc2cccs2)C1 c1csc(c1)[*:1] CC(C)[NH2+][C@]1(CC[C@H](C1)S[*:1])C(=O)[O-]
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Sc2cccs2)C1 c1csc(c1)S[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)[*:1])C(=O)[O-]
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Sc2cccs2)C1 CC(C)[*:1] O=C([O-])[C@@]1(CC[C@H](C1)Sc1cccs1)[NH2+][*:1]
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C/C(=O)c1cc2ccccc2o1 c1ccc(cc1)[*:1] CCOC(=O)c1nn(cc1/C=C/C(=O)c1cc2ccccc2o1)[*:1]
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C/C(=O)c1cc2ccccc2o1 CCOC(=O)[*:1] O=C(/C=C/c1cn(nc1[*:1])-c1ccccc1)c1cc2ccccc2o1
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C/C(=O)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] CCOC(=O)c1nn(cc1/C=C/C(=O)[*:1])-c1ccccc1
COc1ccc([C@H]2C[C@H]2C(=O)N(C)Cc2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1CN(C)C(=O)[C@@H]1C[C@@H]1[*:1]
COc1ccc([C@H]2C[C@H]2C(=O)N(C)Cc2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)[C@H]1C[C@H]1C(=O)N(C)C[*:1]
O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)c1ccncc1 Clc1ccc(c(Cl)c1)[*:1] O=C(CNC(=O)[*:1])NCC(=O)NNC(=O)c1ccncc1
O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)c1ccncc1 c1cc(ccn1)[*:1] O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)[*:1]
Cc1ccc(CN(C)C(=O)NC[C@@H](C)c2ccc(F)c(F)c2)s1 Cc1ccc(C[*:1])s1 C[C@H](CNC(=O)N(C)[*:1])c1ccc(F)c(F)c1
Cc1ccc(CN(C)C(=O)NC[C@@H](C)c2ccc(F)c(F)c2)s1 Cc1ccc(s1)[*:1] C[C@H](CNC(=O)N(C)C[*:1])c1ccc(F)c(F)c1
NC(=O)c1cccc(CCNC(=O)N2Cc3ccccc3C2)c1 NC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])N1Cc2ccccc2C1
CSc1cccc([N-]/C(=N\S(=O)(=O)c2ccccc2)NN)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)[N-]/C(=N\S(=O)(=O)[*:1])NN
CCOC(=O)C1(C)CCN(C(=O)c2cnn(C(C)C)c2C2CC2)CC1 CC(C)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)c1cnn(c1C1CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2cnn(C(C)C)c2C2CC2)CC1 C1CC1[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)c1cnn(c1[*:1])C(C)C
CCOC(=O)C1(C)CCN(C(=O)c2cnn(C(C)C)c2C2CC2)CC1 CCOC(=O)[*:1] CC(C)n1ncc(C(=O)N2CCC(C)(CC2)[*:1])c1C1CC1
Cc1nn(CC(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3ccc(F)cc3)c2N)c(C)c1C Cc1nn(c(C)c1C)[*:1] Nc1c(cnn1-c1ccc(F)cc1)C(=O)[C@H]1CCCN1C(=O)C[*:1]
Cc1nn(CC(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3ccc(F)cc3)c2N)c(C)c1C Cc1nn(C[*:1])c(C)c1C Nc1c(cnn1-c1ccc(F)cc1)C(=O)[C@H]1CCCN1C(=O)[*:1]
Cc1nn(CC(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3ccc(F)cc3)c2N)c(C)c1C Fc1ccc(cc1)[*:1] Cc1nn(CC(=O)N2CCC[C@@H]2C(=O)c2cnn(c2N)[*:1])c(C)c1C
C#CCN(CC#C)C[C@@H](O)c1ccccc1Cl C#CC[*:1] C#CCN(C[C@@H](O)c1ccccc1Cl)[*:1]
COc1ccccc1[C@@H](CNC(=O)N1CCC[C@H](CO)C1)[NH+]1CCCC1 COc1ccccc1[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])N1CCC[C@H](CO)C1
CCC1(CC)[C@@H](NC(=O)c2cccnc2C)[C@@H](C)[C@@H]1OC Cc1ncccc1[*:1] CCC1(CC)[C@@H](NC(=O)[*:1])[C@@H](C)[C@@H]1OC
CCCNC(=O)CCc1cccc(N)c1 CCC[*:1] Nc1cccc(c1)CCC(=O)N[*:1]
CCS[C@H]1CC[C@H](Nc2cccc(C(=O)OC)n2)C1 CCS[*:1] COC(=O)c1cccc(n1)N[C@H]1CC[C@@H](C1)[*:1]
CCS[C@H]1CC[C@H](Nc2cccc(C(=O)OC)n2)C1 COC(=O)[*:1] CCS[C@H]1CC[C@@H](C1)Nc1cccc(n1)[*:1]
CC(C)c1nnc(NC(=O)CSc2nnc(-c3ccncc3)o2)s1 CC(C)c1nnc(s1)[*:1] O=C(CSc1nnc(o1)-c1ccncc1)N[*:1]
CC(C)c1nnc(NC(=O)CSc2nnc(-c3ccncc3)o2)s1 CC(C)[*:1] O=C(CSc1nnc(o1)-c1ccncc1)Nc1nnc(s1)[*:1]
CC(C)c1nnc(NC(=O)CSc2nnc(-c3ccncc3)o2)s1 c1cc(ccn1)[*:1] CC(C)c1nnc(NC(=O)CSc2nnc(o2)[*:1])s1
CC[NH2+][C@H](C=C(C)C)c1ccncn1 CC(C)=C[*:1] CC[NH2+][C@H](c1ccncn1)[*:1]
COc1cc(NC(=O)CCSc2ccc(Cl)cc2)cc(OC)c1 Clc1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)CCS[*:1]
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] Fc1cncc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@@H](C)[NH2+][C@@H](C)[*:1]
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@@H](C)[NH2+][C@@H](C)c1cncc(F)c1
C=CCC[C@H](C)OC(=O)c1cnc(C)nc1CC C=CC[*:1] CCc1nc(C)ncc1C(=O)O[C@@H](C)C[*:1]
C=CCC[C@H](C)OC(=O)c1cnc(C)nc1CC C=CCC[C@H](C)[*:1] CCc1nc(C)ncc1C(=O)O[*:1]
C=CCC[C@H](C)OC(=O)c1cnc(C)nc1CC C=CCC[*:1] CCc1nc(C)ncc1C(=O)O[C@@H](C)[*:1]
CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ncoc1C(C)C CC(C)[*:1] CC(C)c1ocnc1C[S@@](=O)[C@H](C)C(=O)NC[*:1]
CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ncoc1C(C)C CC(C)C[*:1] CC(C)c1ocnc1C[S@@](=O)[C@H](C)C(=O)N[*:1]
CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ncoc1C(C)C CC(C)[*:1] CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1ncoc1[*:1]
Cc1cc2c(s1)=Nc1ccccc1[NH2+]C=2N1CCN(C)CC1 CN1CCN(CC1)[*:1] Cc1cc2=C([NH2+]c3ccccc3N=c2s1)[*:1]
O=C([C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C([C@H]1CCCN(C1)S(=O)(=O)c1c[nH]cn1)N1CCN(CC1)[*:1]
O=C([C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)S(=O)(=O)c1c[nH]cn1)N1CCN(CC1)C[*:1]
C[C@H](CNC(=O)N[C@H](c1nccs1)C1CC1)C[NH+]1CCN(C)CC1 C1CC1[*:1] C[C@H](CNC(=O)N[C@H](c1nccs1)[*:1])C[NH+]1CCN(C)CC1
C[C@H](CNC(=O)N[C@H](c1nccs1)C1CC1)C[NH+]1CCN(C)CC1 c1csc(n1)[*:1] C[C@H](CNC(=O)N[C@H](C1CC1)[*:1])C[NH+]1CCN(C)CC1
CCC(CC)NC(=O)c1cn(C)nc1-c1ccccc1 CCC(CC)[*:1] Cn1cc(C(=O)N[*:1])c(n1)-c1ccccc1
CCC(CC)NC(=O)c1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)NC(=O)c1cn(C)nc1[*:1]
Cn1c([O-])c2ccc(C(=O)NC(C3CC3)C3CC3)cc2nc1=S C1CC1C(C1CC1)[*:1] Cn1c([O-])c2ccc(cc2nc1=S)C(=O)N[*:1]
Cn1c([O-])c2ccc(C(=O)NC(C3CC3)C3CC3)cc2nc1=S C1CC1[*:1] Cn1c([O-])c2ccc(cc2nc1=S)C(=O)NC(C1CC1)[*:1]
O=C(NCc1ccnc(-n2ccnc2)c1)C(=O)Nc1ccc2c(c1)COC2 c1cn(cn1)[*:1] O=C(NCc1ccnc(c1)[*:1])C(=O)Nc1ccc2COCc2c1
O=C(NCc1ccnc(-n2ccnc2)c1)C(=O)Nc1ccc2c(c1)COC2 c1cc2COCc2cc1[*:1] O=C(NCc1ccnc(c1)-n1ccnc1)C(=O)N[*:1]
CCNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)Cc2cccc(C)c2)C1 Cc1cccc(c1)[*:1] CCNC(=O)[C@@]1(CCN(C1)C(=O)C[*:1])Cc1ccc(cc1)-c1cccnc1
CCNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)Cc2cccc(C)c2)C1 CCNC(=O)[*:1] Cc1cccc(c1)CC(=O)N1CC[C@@](Cc2ccc(cc2)-c2cccnc2)(C1)[*:1]
CCNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)Cc2cccc(C)c2)C1 c1cncc(c1)[*:1] CCNC(=O)[C@@]1(CCN(C1)C(=O)Cc1cccc(C)c1)Cc1ccc(cc1)[*:1]
CCNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)Cc2cccc(C)c2)C1 Cc1cccc(c1)C[*:1] CCNC(=O)[C@@]1(CCN(C1)C(=O)[*:1])Cc1ccc(cc1)-c1cccnc1
CCOc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCOc1ccc(cc1)C(=O)NNC(=O)N[C@@H](C)[*:1]
CCOc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ccccc2Cl)cc1 CCO[*:1] C[C@H](NC(=O)NNC(=O)c1ccc(cc1)[*:1])c1ccccc1Cl
COc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(Cl)c2)cc1 Cc1ccc(cc1Cl)[*:1] COc1ccc(cc1)NC(=O)CSCC(=O)N[*:1]
COc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(Cl)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)CSCC(=O)N[*:1]
C[C@H](O)CNc1cnccn1 C[C@H](O)[*:1] c1cnc(cn1)NC[*:1]
O=C1CC[C@@H](C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)O1 C1CCC(CC1)[*:1] O=C1CC[C@H](O1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1nc(C)c([C@H](C)N(C)C(=O)CCCOc2cccnc2)s1 Cc1nc(C)c(s1)[*:1] C[C@H](N(C)C(=O)CCCOc1cccnc1)[*:1]
Cc1nc(C)c([C@H](C)N(C)C(=O)CCCOc2cccnc2)s1 c1cncc(c1)[*:1] Cc1nc(C)c(s1)[C@H](C)N(C)C(=O)CCCO[*:1]
Cc1nc(C)c([C@H](C)N(C)C(=O)CCCOc2cccnc2)s1 c1cncc(c1)O[*:1] Cc1nc(C)c(s1)[C@H](C)N(C)C(=O)CCC[*:1]
COc1c(C)cc(S(=O)(=O)NC[C@@H](O)c2cccn2C)cc1C Cn1cccc1[*:1] COc1c(C)cc(cc1C)S(=O)(=O)NC[C@@H](O)[*:1]
C[S@@](=O)c1ccc(C[NH2+]C(C)(c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] C[S@@](=O)c1ccc(cc1)C[NH2+]C(C)(c1ccccc1)[*:1]
CCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCC(=O)N1 CCOCC[*:1] O=C1CC[C@H](N1)C(=O)Nc1cc(Cl)ccc1O[*:1]
CCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCC(=O)N1 CCOC[*:1] O=C1CC[C@H](N1)C(=O)Nc1cc(Cl)ccc1OC[*:1]
CCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCC(=O)N1 CCOCCO[*:1] O=C1CC[C@H](N1)C(=O)Nc1cc(Cl)ccc1[*:1]
CCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCC(=O)N1 CCO[*:1] O=C1CC[C@H](N1)C(=O)Nc1cc(Cl)ccc1OCC[*:1]
C[C@@H](c1cccc(F)c1)N1CCN(c2ccc(C#N)nn2)CC1 Fc1cccc(c1)[*:1] C[C@@H](N1CCN(CC1)c1ccc(C#N)nn1)[*:1]
CS[C@@H](C)c1cccc(NC(=O)c2ccc(-n3ccnn3)cc2)c1 c1cn(nn1)[*:1] CS[C@@H](C)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(O[C@@H]2C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C#N)cc2)c(C)c1 C1CO[C@@H](C1)C[*:1] Cc1ccc(O[C@@H]2C(=O)N([C@H]2c2ccc(C#N)cc2)[*:1])c(C)c1
Cc1ccc(O[C@@H]2C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C#N)cc2)c(C)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(O[C@@H]2C(=O)N(C[*:1])[C@H]2c2ccc(C#N)cc2)c(C)c1
Cc1ccc(O[C@@H]2C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C#N)cc2)c(C)c1 Cc1ccc(O[*:1])c(C)c1 N#Cc1ccc(cc1)[C@H]1[C@@H](C(=O)N1C[C@@H]1CCCO1)[*:1]
Cc1ccc(O[C@@H]2C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C#N)cc2)c(C)c1 N#Cc1ccc(cc1)[*:1] Cc1ccc(O[C@@H]2C(=O)N(C[C@@H]3CCCO3)[C@@H]2[*:1])c(C)c1
Cc1ccc(O[C@@H]2C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C#N)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] N#Cc1ccc(cc1)[C@H]1[C@H](O[*:1])C(=O)N1C[C@@H]1CCCO1
Cc1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1C#N c1ccc(cc1)[*:1] Cc1nc(ccc1C#N)C(=O)NC1CC[NH+](CC1)C[*:1]
Cc1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1C#N c1ccc(cc1)C[*:1] Cc1nc(ccc1C#N)C(=O)NC1CC[NH+](CC1)[*:1]
CC[C@H](NC(=O)C(=O)Nc1cccc2c1OCCO2)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)C(=O)Nc1cccc2OCCOc12)[*:1]
Cc1ccsc1C(=O)N1CCO[C@@H](/C(N)=N/O)C1 Cc1ccsc1[*:1] N/C(=N\O)[C@H]1CN(CCO1)C(=O)[*:1]
Cc1ccsc1C(=O)N1CCO[C@@H](/C(N)=N/O)C1 N/C(=N\O)[*:1] Cc1ccsc1C(=O)N1CCO[C@@H](C1)[*:1]
C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 O=C(N1CCCC1)[*:1] C[C@@H]1CCCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 C[C@@H]1CCCN(CC1)[*:1] O=C(c1cc(ccc1[N+](=O)[O-])[*:1])N1CCCC1
C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 O=[N+]([O-])[*:1] C[C@@H]1CCCN(CC1)c1ccc(c(c1)C(=O)N1CCCC1)[*:1]
CCOCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C CCO[*:1] C[C@H]1Cc2cccc3c(=O)c(cn1c23)C(=O)NCCC[*:1]
CCOCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C CCOCCC[*:1] C[C@H]1Cc2cccc3c(=O)c(cn1c23)C(=O)N[*:1]
CCOCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C CCOCC[*:1] C[C@H]1Cc2cccc3c(=O)c(cn1c23)C(=O)NC[*:1]
CCOCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C CCOC[*:1] C[C@H]1Cc2cccc3c(=O)c(cn1c23)C(=O)NCC[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)NC2CCCCC2)CC1=O C1CCC(CC1)[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)O[C@@H](C)C(=O)N[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)NC2CCCCC2)CC1=O O=C(NC1CCCCC1)[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)O[C@@H](C)[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)NC2CCCCC2)CC1=O COc1ccc(C)cc1[*:1] C[C@H](OC(=O)[C@H]1CC(=O)N(C1)[*:1])C(=O)NC1CCCCC1
Cc1nc(C)c(CNC(=O)NCc2ccnc(OC(C)(C)C)c2)s1 CC(C)(C)[*:1] Cc1nc(C)c(CNC(=O)NCc2ccnc(c2)O[*:1])s1
Cc1nc(C)c(CNC(=O)NCc2ccnc(OC(C)(C)C)c2)s1 CC(C)(C)O[*:1] Cc1nc(C)c(CNC(=O)NCc2ccnc(c2)[*:1])s1
Cc1nc(C)c(CNC(=O)NCc2ccnc(OC(C)(C)C)c2)s1 Cc1nc(C)c(s1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)NC[*:1]
Cc1nc(C)c(CNC(=O)NCc2ccnc(OC(C)(C)C)c2)s1 Cc1nc(C)c(C[*:1])s1 CC(C)(C)Oc1cc(ccn1)CNC(=O)N[*:1]
C[C@H](NC(=O)N1CCC(N2CCO[C@H](C)C2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCC(CC1)N1CCO[C@H](C)C1)[*:1]
C[C@H](NC(=O)N1CCC(N2CCO[C@H](C)C2)CC1)c1ccc(Cl)cc1 C[C@@H]1CN(CCO1)[*:1] C[C@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(Cl)cc1
O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCCCC1 C1CN(CCO1)[*:1] O=C(c1ccc2nc(sc2c1)[*:1])N1CCCCC1
CC(C)CSCCSc1nnc(CO)n1C CC(C)CS[*:1] Cn1c(CO)nnc1SCC[*:1]
CC(C)CSCCSc1nnc(CO)n1C CC(C)C[*:1] Cn1c(CO)nnc1SCCS[*:1]
CC(C)CSCCSc1nnc(CO)n1C CC(C)[*:1] Cn1c(CO)nnc1SCCSC[*:1]
CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1C[C@@H](C)C[C@H](C)C1 Cc1ccc(cc1C)[*:1] CC1C(=NS(=O)(=O)C=1[*:1])N1C[C@@H](C)C[C@H](C)C1
CC(=O)N[C@@H]1CCN(c2nc(C)nc3c2c(C)nn3C)C1 CC(=O)N[*:1] Cc1nc(c2c(C)nn(C)c2n1)N1CC[C@H](C1)[*:1]
C#CCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] C#CCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(ccc21)[*:1]
C#CCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(S(C)(=O)=O)ccc21 C#CC[*:1] CS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(Cl)cc1Cl)n2[*:1]
C#CCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(S(C)(=O)=O)ccc21 Clc1ccc(c(Cl)c1)[*:1] C#CCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21 O=S(=O)(N1CCCCCC1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)COc2ccc(cc21)[*:1]
N#Cc1ccccc1OCc1cccc(C(=O)NCCc2ccc[nH]2)c1 c1c[nH]c(c1)CC[*:1] N#Cc1ccccc1OCc1cccc(c1)C(=O)N[*:1]
N#Cc1ccccc1OCc1cccc(C(=O)NCCc2ccc[nH]2)c1 c1c[nH]c(c1)C[*:1] N#Cc1ccccc1OCc1cccc(c1)C(=O)NC[*:1]
N#Cc1ccccc1OCc1cccc(C(=O)NCCc2ccc[nH]2)c1 N#Cc1ccccc1[*:1] O=C(NCCc1ccc[nH]1)c1cccc(c1)CO[*:1]
N#Cc1ccccc1OCc1cccc(C(=O)NCCc2ccc[nH]2)c1 c1c[nH]c(c1)[*:1] N#Cc1ccccc1OCc1cccc(c1)C(=O)NCC[*:1]
C[C@H]1CC[C@H](C)[C@H]([C@@H](C)O)C1 C[C@@H](O)[*:1] C[C@H]1CC[C@H](C)[C@H](C1)[*:1]
CCc1ccsc1C(=O)N(CC(=O)[O-])c1ccccc1N O=C([O-])[*:1] CCc1ccsc1C(=O)N(C[*:1])c1ccccc1N
CCc1ccsc1C(=O)N(CC(=O)[O-])c1ccccc1N Nc1ccccc1[*:1] CCc1ccsc1C(=O)N(CC(=O)[O-])[*:1]
CCc1ccsc1C(=O)N(CC(=O)[O-])c1ccccc1N O=C([O-])C[*:1] CCc1ccsc1C(=O)N(c1ccccc1N)[*:1]
CCc1ccsc1C(=O)N(CC(=O)[O-])c1ccccc1N CCc1ccsc1[*:1] Nc1ccccc1N(CC(=O)[O-])C(=O)[*:1]
CN(C)c1nc(Cl)c(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)s1 Fc1ccc(cc1)N[*:1] CN(C)c1nc(Cl)c(CN2CCC[C@@H](C2)[*:1])s1
CN(C)c1nc(Cl)c(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)s1 CN(C)[*:1] Fc1ccc(cc1)N[C@@H]1CCCN(Cc2sc(nc2Cl)[*:1])C1
CN(C)c1nc(Cl)c(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)s1 Fc1ccc(cc1)[*:1] CN(C)c1nc(Cl)c(CN2CCC[C@H](C2)N[*:1])s1
CCc1nn(C)cc1C(=O)Nc1cc(CCOC)nn1C COC[*:1] CCc1nn(C)cc1C(=O)Nc1cc(C[*:1])nn1C
CCc1nn(C)cc1C(=O)Nc1cc(CCOC)nn1C COCC[*:1] CCc1nn(C)cc1C(=O)Nc1cc(nn1C)[*:1]
CC(C)NC(=O)Nc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)cc1 CC(C)NC(=O)N[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)Nc1ccc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)cc1 CC(C)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccc(cc1)NC(=O)N[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4cc(C)on4)CC3)c3cnn(C(C)C)c3n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4cc(C)on4)CC3)c3cnn(C(C)C)c3n2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)-c1cc(C(=O)N2CCC(CC2)C(=O)N[*:1])c2cnn(c2n1)C(C)C
Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4cc(C)on4)CC3)c3cnn(C(C)C)c3n2)cc1 Cc1cc(no1)NC(=O)[*:1] Cc1ccc(cc1)-c1cc(C(=O)N2CCC(CC2)[*:1])c2cnn(c2n1)C(C)C
Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4cc(C)on4)CC3)c3cnn(C(C)C)c3n2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1cc(C(=O)N2CCC(CC2)C(=O)Nc2cc(C)on2)c2cnn(c2n1)[*:1]
CCC[C@@H](C#N)NC(=O)[C@@H](Cc1ccccc1)n1nnnc1C CCC[*:1] Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@H](C#N)[*:1]
CCC[C@@H](C#N)NC(=O)[C@@H](Cc1ccccc1)n1nnnc1C c1ccc(cc1)C[*:1] CCC[C@@H](C#N)NC(=O)[C@@H](n1nnnc1C)[*:1]
CCC[C@@H](C#N)NC(=O)[C@@H](Cc1ccccc1)n1nnnc1C Cc1nnnn1[*:1] CCC[C@@H](C#N)NC(=O)[C@@H](Cc1ccccc1)[*:1]
CCC[C@@H](C#N)NC(=O)[C@@H](Cc1ccccc1)n1nnnc1C c1ccc(cc1)[*:1] CCC[C@@H](C#N)NC(=O)[C@@H](C[*:1])n1nnnc1C
CCC[C@@H](C#N)NC(=O)[C@@H](Cc1ccccc1)n1nnnc1C CCC[C@@H](C#N)[*:1] Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[*:1]
COCC[C@]1(O)CCN(C(=O)C2(c3ccccc3)CCCC2)C[C@H]1C COC[*:1] C[C@@H]1CN(CC[C@@]1(O)C[*:1])C(=O)C1(CCCC1)c1ccccc1
COCC[C@]1(O)CCN(C(=O)C2(c3ccccc3)CCCC2)C[C@H]1C COCC[*:1] C[C@@H]1CN(CC[C@]1(O)[*:1])C(=O)C1(CCCC1)c1ccccc1
COCC[C@]1(O)CCN(C(=O)C2(c3ccccc3)CCCC2)C[C@H]1C c1ccc(cc1)[*:1] COCC[C@]1(O)CCN(C[C@H]1C)C(=O)C1(CCCC1)[*:1]
COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4)ccn3n2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1ccn2nc(cc2c1=O)[*:1])NCc1ccccc1
COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4)ccn3n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc2c(=O)n(ccn2n1)CC(=O)NC[*:1]
COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4)ccn3n2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1cc2c(=O)n(ccn2n1)CC(=O)N[*:1]
O=C([O-])c1ccc(/N=C\c2ccccc2O)cc1 O=C([O-])[*:1] Oc1ccccc1/C=N\c1ccc(cc1)[*:1]
[NH3+]CCOc1ccccc1N1CCCC1=O [NH3+]CC[*:1] O=C1CCCN1c1ccccc1O[*:1]
[NH3+]CCOc1ccccc1N1CCCC1=O [NH3+]CCO[*:1] O=C1CCCN1c1ccccc1[*:1]
CC(C)Oc1ccccc1CSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] CC(C)Oc1ccccc1CSc1nnc(n1C1CC1)[*:1]
CC(C)Oc1ccccc1CSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] CC(C)Oc1ccccc1CSc1nnc(C2CC2)n1[*:1]
CC(C)Oc1ccccc1CSc1nnc(C2CC2)n1C1CC1 CC(C)O[*:1] c1ccc(c(c1)CSc1nnc(C2CC2)n1C1CC1)[*:1]
CC(C)Oc1ccccc1CSc1nnc(C2CC2)n1C1CC1 CC(C)[*:1] c1ccc(O[*:1])c(c1)CSc1nnc(C2CC2)n1C1CC1
C=C(C)CN(CC)C(=O)[C@H](C)[n+]1ccc(Cc2ccccc2)cc1 c1ccc(cc1)[*:1] C=C(C)CN(CC)C(=O)[C@H](C)[n+]1ccc(cc1)C[*:1]
C=C(C)CN(CC)C(=O)[C@H](C)[n+]1ccc(Cc2ccccc2)cc1 C=C(C)C[*:1] CCN(C(=O)[C@H](C)[n+]1ccc(cc1)Cc1ccccc1)[*:1]
C=C(C)CN(CC)C(=O)[C@H](C)[n+]1ccc(Cc2ccccc2)cc1 C=C(C)[*:1] CCN(C[*:1])C(=O)[C@H](C)[n+]1ccc(cc1)Cc1ccccc1
C=C(C)CN(CC)C(=O)[C@H](C)[n+]1ccc(Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] C=C(C)CN(CC)C(=O)[C@H](C)[n+]1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 CC(=O)N[*:1] O=C(NCc1csc(n1)-c1ccccc1)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 CC(=O)NC[*:1] O=C(NCc1csc(n1)-c1ccccc1)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CC(=O)NCc1ccc(cc1)C(=O)NCc1csc(n1)[*:1]
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCc1ccccc1Cl CCOC(=O)[*:1] Cc1[nH]c(C)c(c1S(=O)(=O)NCc1ccccc1Cl)[*:1]
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N[*:1]
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NC[*:1]
O=S(=O)(CCc1ccccc1)[N-]c1cc(Br)ccc1N1CCOCC1 c1ccc(cc1)C[*:1] O=S(=O)(C[*:1])[N-]c1cc(Br)ccc1N1CCOCC1
O=S(=O)(CCc1ccccc1)[N-]c1cc(Br)ccc1N1CCOCC1 c1ccc(cc1)CC[*:1] O=S(=O)([N-]c1cc(Br)ccc1N1CCOCC1)[*:1]
O=S(=O)(CCc1ccccc1)[N-]c1cc(Br)ccc1N1CCOCC1 c1ccc(cc1)[*:1] O=S(=O)(CC[*:1])[N-]c1cc(Br)ccc1N1CCOCC1
O=S(=O)(CCc1ccccc1)[N-]c1cc(Br)ccc1N1CCOCC1 C1CN(CCO1)[*:1] O=S(=O)(CCc1ccccc1)[N-]c1cc(Br)ccc1[*:1]
CCN1C(=O)[C@H]2[C@@H](c3ccc(OC)cc3)[NH2+][C@@](CC)(C(=O)OC)[C@@H]2C1=O COC(=O)[*:1] CCN1C(=O)[C@H]2[C@H]([NH2+][C@@](CC)([C@@H]2C1=O)[*:1])c1ccc(cc1)OC
CCN1C(=O)[C@H]2[C@@H](c3ccc(OC)cc3)[NH2+][C@@](CC)(C(=O)OC)[C@@H]2C1=O COc1ccc(cc1)[*:1] CCN1C(=O)[C@H]2[C@@H]([NH2+][C@@](CC)(C(=O)OC)[C@@H]2C1=O)[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)OCc1nc(C2CC2)cs1 C1CC1[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)OCc1nc(cs1)[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)OCc1nc(C2CC2)cs1 Cc1ccccc1[*:1] O=C(OCc1nc(cs1)C1CC1)[C@H]1C[C@H]1[*:1]
C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H](C(=O)[O-])O2)CC(C)(C)O1 O=C([O-])[*:1] C[C@@H]1CN(CC(C)(C)O1)C(=O)NC[C@@H]1CC[C@H](O1)[*:1]
Cc1ccc(C)c(OCc2cc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)no2)c1 Cc1ccc(C)c(c1)OC[*:1] O=C(c1cc(on1)[*:1])N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
Cc1ccc(C)c(OCc2cc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)no2)c1 Cc1ccc(C)c(c1)O[*:1] O=C(c1cc(C[*:1])on1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
Cc1ccc(C)c(OCc2cc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)no2)c1 Cc1ccc(C)c(c1)[*:1] O=C(c1cc(CO[*:1])on1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
O=C(OCc1nccc2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(OCc1nccc2ccccc12)[*:1]
CC(C)Oc1ccc(-c2nn3c(=O)/c(=C\C4=Cc5ccccc5O[C@@H]4C)sc3nc2=O)cc1 CC(C)[*:1] C[C@H]1Oc2ccccc2C=C1/C=c1/sc2nc(=O)c(nn2c1=O)-c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(-c2nn3c(=O)/c(=C\C4=Cc5ccccc5O[C@@H]4C)sc3nc2=O)cc1 CC(C)Oc1ccc(cc1)[*:1] C[C@H]1Oc2ccccc2C=C1/C=c1/sc2nc(=O)c(nn2c1=O)[*:1]
CC(C)Oc1ccc(-c2nn3c(=O)/c(=C\C4=Cc5ccccc5O[C@@H]4C)sc3nc2=O)cc1 CC(C)O[*:1] C[C@H]1Oc2ccccc2C=C1/C=c1/sc2nc(=O)c(nn2c1=O)-c1ccc(cc1)[*:1]
O=C(N/N=C\c1ccco1)[C@H]1CC1(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C\c1ccco1)[C@H]1CC1(c1ccccc1)[*:1]
O=C(N/N=C\c1ccco1)[C@H]1CC1(c1ccccc1)c1ccccc1 c1coc(c1)[*:1] O=C(NN=C[*:1])[C@H]1CC1(c1ccccc1)c1ccccc1
CS[C@H]1CCC[C@@H]1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N[C@@H](CO)[*:1]
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(-c2ccccc2)cc1 O=S(=O)(N1CCOCC1)[*:1] C[C@H](NC(=O)Cc1ccc(s1)[*:1])c1ccc(cc1)-c1ccccc1
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cc1ccc(s1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)[*:1]
COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccc3c4c(cccc24)CC3)c1 COc1ccc(OC)c(c1)[*:1] C[C@H](OC(=O)c1ccc2CCc3cccc1c32)C(=O)N[*:1]
C[C@H](OC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1nc2ccccc2s1 Cn1cc(cn1)[*:1] C[C@H](OC(=O)[C@H]1C[C@H]1[*:1])c1nc2ccccc2s1
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1csc(N2CCCC2=O)n1 O=C1CCCN1[*:1] C[C@@H]1CC[C@H](CN1C(=O)Cc1csc(n1)[*:1])C(N)=O
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1csc(N2CCCC2=O)n1 NC(=O)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)Cc1csc(n1)N1CCCC1=O)[*:1]
Cc1cc(COC(=O)NNC(=O)CCc2ccccc2)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C(CCc1ccccc1)NNC(=O)OC[*:1]
Cc1cc(COC(=O)NNC(=O)CCc2ccccc2)ccc1Cl c1ccc(cc1)[*:1] Cc1cc(ccc1Cl)COC(=O)NNC(=O)CC[*:1]
Cc1cc(COC(=O)NNC(=O)CCc2ccccc2)ccc1Cl c1ccc(cc1)CC[*:1] Cc1cc(ccc1Cl)COC(=O)NNC(=O)[*:1]
Cc1cc(COC(=O)NNC(=O)CCc2ccccc2)ccc1Cl c1ccc(cc1)C[*:1] Cc1cc(ccc1Cl)COC(=O)NNC(=O)C[*:1]
Cc1ccc(=O)n(CC(=O)N2CC(c3ccccn3)C2)n1 c1ccc(nc1)[*:1] Cc1ccc(=O)n(CC(=O)N2CC(C2)[*:1])n1
CC(=O)Nc1ccc(/C=C/C(=O)OC[C@H]2CCCCO2)cc1 C1CC[C@@H](OC1)[*:1] CC(=O)Nc1ccc(/C=C/C(=O)OC[*:1])cc1
CC(=O)Nc1ccc(/C=C/C(=O)OC[C@H]2CCCCO2)cc1 CC(=O)N[*:1] O=C(/C=C/c1ccc(cc1)[*:1])OC[C@H]1CCCCO1
CC(=O)Nc1ccc(/C=C/C(=O)OC[C@H]2CCCCO2)cc1 C1CC[C@H](C[*:1])OC1 CC(=O)Nc1ccc(/C=C/C(=O)O[*:1])cc1
CCn1cc(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cn1 CCn1cc(cn1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)C(=O)[*:1]
CC(=O)NC(C)(C)C(=O)Nc1ccc(F)c(C#N)c1 CC(=O)N[*:1] CC(C)(C(=O)Nc1ccc(F)c(C#N)c1)[*:1]
COc1c(Br)cc(C)cc1C(=O)[O-] O=C([O-])[*:1] COc1c(Br)cc(C)cc1[*:1]
COc1cccc(C(=O)N2CCN(C(=O)c3c(O)cc(F)cc3F)CC2)c1 Oc1cc(F)cc(F)c1[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)c3c(O)cc(F)cc3F)CC2)c1 COc1cccc(c1)[*:1] O=C(c1c(O)cc(F)cc1F)N1CCN(CC1)C(=O)[*:1]
CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cncn1-c1ccc(F)cc1 CN(C)S(=O)(=O)[*:1] O=C(NCc1ccccc1[*:1])c1cncn1-c1ccc(F)cc1
CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cncn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cncn1[*:1]
Cc1ccccc1CN1CCN(C(=O)[C@]2(C)Oc3ccccc3NC2=O)CC1 Cc1ccccc1C[*:1] C[C@]1(Oc2ccccc2NC1=O)C(=O)N1CCN(CC1)[*:1]
Cc1ccccc1CN1CCN(C(=O)[C@]2(C)Oc3ccccc3NC2=O)CC1 Cc1ccccc1[*:1] C[C@]1(Oc2ccccc2NC1=O)C(=O)N1CCN(CC1)C[*:1]
Nc1ccc(Cl)c(SC[C@H]2CC[C@@H](C(=O)[O-])O2)c1 O=C([O-])[*:1] Nc1ccc(Cl)c(c1)SC[C@H]1CC[C@@H](O1)[*:1]
Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)[NH+]2CCCCC2)o1 Cc1ccc(o1)[*:1] Cc1cc2oc(C(=O)NC[C@H]([NH+]3CCCCC3)[*:1])c(C)c2cc1C
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1 CCc1ccccc1[*:1] C[C@H](C(=O)N(C)CC(=O)N[*:1])N1CCN(CC1)c1cccc(Cl)c1
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(CC1)[*:1]
Fc1ccc([C@H](NCc2ccnc(Cl)c2)C2CCC2)cc1 Fc1ccc(cc1)[*:1] Clc1cc(ccn1)CN[C@H](C1CCC1)[*:1]
Fc1ccc([C@H](NCc2ccnc(Cl)c2)C2CCC2)cc1 Clc1cc(ccn1)[*:1] Fc1ccc(cc1)[C@H](NC[*:1])C1CCC1
Fc1ccc([C@H](NCc2ccnc(Cl)c2)C2CCC2)cc1 C1CC(C1)[*:1] Fc1ccc(cc1)[C@H](NCc1ccnc(Cl)c1)[*:1]
O=C([C@H]1CCOC1)N1CCN(Cc2noc(-c3cccs3)n2)CC1 c1csc(c1)[*:1] O=C([C@H]1CCOC1)N1CCN(CC1)Cc1noc(n1)[*:1]
O=C(Nc1cccc(F)c1F)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)CO[*:1] O=C(Nc1cccc(F)c1F)N1CCC(CC1)[*:1]
O=C(Nc1cccc(F)c1F)N1CCC(OC[C@H]2CCCO2)CC1 Fc1cccc(c1F)[*:1] O=C(N[*:1])N1CCC(CC1)OC[C@H]1CCCO1
Cc1cc(NC(=O)[C@@H](C)NCc2ccccc2CN2CCCC2=O)no1 Cc1cc(no1)[*:1] C[C@@H](NCc1ccccc1CN1CCCC1=O)C(=O)N[*:1]
Cc1cc(NC(=O)[C@@H](C)NCc2ccccc2CN2CCCC2=O)no1 O=C1CCCN1[*:1] Cc1cc(no1)NC(=O)[C@@H](C)NCc1ccccc1C[*:1]
Cc1cc(NC(=O)[C@@H](C)NCc2ccccc2CN2CCCC2=O)no1 O=C1CCCN1C[*:1] Cc1cc(no1)NC(=O)[C@@H](C)NCc1ccccc1[*:1]
COc1ccc([C@H](N[C@@H](C)c2nccs2)c2ccccc2OC)cc1 c1csc(n1)[*:1] COc1ccc(cc1)[C@H](N[C@@H](C)[*:1])c1ccccc1OC
COc1ccc([C@H](N[C@@H](C)c2nccs2)c2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)[C@H](N[C@@H](C)c1nccs1)[*:1]
COc1ccc([C@H](N[C@@H](C)c2nccs2)c2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1[C@@H](N[C@@H](C)c1nccs1)[*:1]
CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 CNS(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H](C1)n1cc[nH+]c1
CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 COc1ccc(cc1F)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)NC(=O)c1ccco1
CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2ccccc2c1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(cc1NC(=O)c1ccc2ccccc2c1)[*:1]
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCCCC1
C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(COCc2ccccc2)c1 c1ccc(cc1)C[*:1] C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(c1)CO[*:1]
C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(COCc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(c1)COC[*:1]
C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(COCc2ccccc2)c1 c1ccc(cc1)CO[*:1] C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(c1)C[*:1]
CC(=O)N1CCN(C(=O)CC[NH2+][C@H](C)Cc2ccccc2C)CC1 Cc1ccccc1C[*:1] CC(=O)N1CCN(CC1)C(=O)CC[NH2+][C@H](C)[*:1]
CC(=O)N1CCN(C(=O)CC[NH2+][C@H](C)Cc2ccccc2C)CC1 Cc1ccccc1[*:1] CC(=O)N1CCN(CC1)C(=O)CC[NH2+][C@H](C)C[*:1]
O=C(C[NH2+]C1CCCCC1)N1CCCc2ccccc21 C1CCC(CC1)[*:1] O=C(C[NH2+][*:1])N1CCCc2ccccc21
O=C(NC[C@H]1C[C@@H]1c1ccccc1)C(=O)Nc1ccc2c(c1)COC2 c1ccc(cc1)[*:1] O=C(NC[C@H]1C[C@H]1[*:1])C(=O)Nc1ccc2COCc2c1
Cc1ccc(C)c(-n2ccnc2SCC(=O)NNC(=O)C(C)(C)C)c1 Cc1ccc(C)c(c1)[*:1] CC(C)(C)C(=O)NNC(=O)CSc1nccn1[*:1]
Cc1ccc(C)c(-n2ccnc2SCC(=O)NNC(=O)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(C)c(c1)-n1ccnc1SCC(=O)NNC(=O)[*:1]
Cc1cccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1C C1CCN(CC1)[*:1] Cc1cccc(NC(=O)Nc2cc3c(cc2[*:1])n(C)c(=O)n3C)c1C
Cc1cccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1C Cc1cccc(c1C)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)N[*:1])N1CCCCC1
CC[C@H](NC(=O)c1cnn2cc(Br)cnc12)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)c1cnn2cc(Br)cnc12)[*:1]
C[NH2+][C@H](C)c1cc(F)ccc1OCc1noc(C(C)C)n1 CC(C)[*:1] C[NH2+][C@H](C)c1cc(F)ccc1OCc1noc(n1)[*:1]
CSc1ccc(Cl)cc1NC(=O)NCCc1cccc(F)c1 Fc1cccc(c1)[*:1] CSc1ccc(Cl)cc1NC(=O)NCC[*:1]
COc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)n3nc(N)nc3N2)cc1 Brc1cccc(c1)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](n2nc(N)nc2N1)[*:1]
COc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)n3nc(N)nc3N2)cc1 COc1ccc(cc1)[*:1] Nc1nc2N[C@H](C[C@@H](c3cccc(Br)c3)n2n1)[*:1]
O=C(Nc1nnc(N2CCCCC2)s1)Nc1cc(Cl)ccc1Cl C1CCN(CC1)[*:1] O=C(Nc1nnc(s1)[*:1])Nc1cc(Cl)ccc1Cl
CCC(CC)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 CCC(CC)[*:1] O=C(NCC1(CCOCC1)c1ccc2OCOc2c1)[*:1]
CCC(CC)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 CCC(CC)C(=O)N[*:1] c1cc2OCOc2cc1C1(CCOCC1)C[*:1]
COc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1F O=C([O-])[*:1] COc1ccc(/C=C/c2nc(ccc2C#N)[*:1])cc1F
COc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)c3ccccc3OC)C2)cc1OC COc1ccccc1C(=O)[*:1] COc1ccc(/C=C/C(=O)N2CCC[C@H](C2)[*:1])cc1OC
COc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)c3ccccc3OC)C2)cc1OC COc1ccccc1[*:1] COc1ccc(/C=C/C(=O)N2CCC[C@@H](C2)C(=O)[*:1])cc1OC
COc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)c3ccccc3OC)C2)cc1OC COc1ccc(cc1OC)[*:1] COc1ccccc1C(=O)[C@H]1CCCN(C1)C(=O)C=C[*:1]
CC[NH+](CCn1cccn1)C1CCN(C(C)=O)CC1 c1cnn(c1)[*:1] CC[NH+](CC[*:1])C1CCN(CC1)C(C)=O
CC[NH+](CCn1cccn1)C1CCN(C(C)=O)CC1 c1cnn(c1)C[*:1] CC[NH+](C[*:1])C1CCN(CC1)C(C)=O
O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc[n+]([O-])cc1 [O-][n+]1ccc(cc1)[*:1] O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[*:1]
CNc1nc(C)c(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)s1 Clc1ccc(cc1)[*:1] CNc1nc(C)c(s1)C(=O)N1CCC(CC1)O[*:1]
CNc1nc(C)c(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)s1 Clc1ccc(cc1)O[*:1] CNc1nc(C)c(s1)C(=O)N1CCC(CC1)[*:1]
CNc1nc(C)c(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)s1 CNc1nc(C)c(s1)[*:1] O=C(N1CCC(CC1)Oc1ccc(Cl)cc1)[*:1]
CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@](C)(CC)C(=O)[O-] O=C([O-])[*:1] CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@](C)(CC)[*:1]
CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@](C)(CC)C(=O)[O-] CCC[*:1] CC[C@](C)(NC(=O)[C@H]1COC[C@H]1[NH2+][*:1])C(=O)[O-]
O=c1[nH]c([O-])nc2ncc(S(=O)(=O)N(CC3CC3)CC3CC3)cc12 C1CC1[*:1] O=c1[nH]c([O-])nc2ncc(cc12)S(=O)(=O)N(CC1CC1)C[*:1]
O=c1[nH]c([O-])nc2ncc(S(=O)(=O)N(CC3CC3)CC3CC3)cc12 C1CC1C[*:1] O=c1[nH]c([O-])nc2ncc(cc12)S(=O)(=O)N(CC1CC1)[*:1]
C#CCN1CCN(Cc2cnc(Cl)s2)CC1 C#CC[*:1] Clc1ncc(CN2CCN(CC2)[*:1])s1
CCc1noc(C)c1C(=O)NCC(C1CC1)C1CC1 C1CC1[*:1] CCc1noc(C)c1C(=O)NCC(C1CC1)[*:1]
O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)CS1(=O)=O c1ccc(cc1)C[*:1] O=C1N([C@@H](Cc2ccccc2)CS1(=O)=O)[*:1]
O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)CS1(=O)=O c1ccc(cc1)[*:1] O=C1N(C[*:1])[C@@H](Cc2ccccc2)CS1(=O)=O
O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)CS1(=O)=O c1ccc(cc1)C[*:1] O=C1N(Cc2ccccc2)[C@@H](CS1(=O)=O)[*:1]
O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)CS1(=O)=O c1ccc(cc1)[*:1] O=C1N(Cc2ccccc2)[C@H](CS1(=O)=O)C[*:1]
CC(C)(C)CC(=O)N1CCC(Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 CC(C)(C)[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC1CCN(CC1)C(=O)C[*:1]
CC(C)(C)CC(=O)N1CCC(Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 NC(=O)[*:1] CC(C)(C)CC(=O)N1CCC(CC1)Nc1ccc2[nH]nc(c2c1)[*:1]
CC(C)(C)CC(=O)N1CCC(Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 CC(C)(C)C[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC1CCN(CC1)C(=O)[*:1]
N#Cc1c(-c2cccn2S(=O)(=O)c2ccccc2)cc(-c2cc[nH]c2)nc1N c1ccc(cc1)[*:1] N#Cc1c(cc(nc1N)-c1cc[nH]c1)-c1cccn1S(=O)(=O)[*:1]
N#Cc1c(-c2cccn2S(=O)(=O)c2ccccc2)cc(-c2cc[nH]c2)nc1N c1cc(c[nH]1)[*:1] N#Cc1c(cc(nc1N)[*:1])-c1cccn1S(=O)(=O)c1ccccc1
Cc1csc(NC(=O)c2nn(-c3ccccc3)c3c(=O)n(C)cnc23)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)c1nn(c2c(=O)n(C)cnc12)[*:1]
Cc1csc(NC(=O)c2nn(-c3ccccc3)c3c(=O)n(C)cnc23)n1 Cc1csc(n1)[*:1] Cn1cnc2c(nn(-c3ccccc3)c2c1=O)C(=O)N[*:1]
Cc1n[nH]c(C(=O)N[C@H](C(=O)[O-])C(C)C)n1 O=C([O-])[*:1] Cc1n[nH]c(n1)C(=O)N[C@H](C(C)C)[*:1]
Cc1n[nH]c(C(=O)N[C@H](C(=O)[O-])C(C)C)n1 CC(C)[*:1] Cc1n[nH]c(n1)C(=O)N[C@H](C(=O)[O-])[*:1]
C=CCNC(=O)CN1CCN(C[C@H](O)c2cccs2)CC1 O[C@H](c1cccs1)[*:1] C=CCNC(=O)CN1CCN(CC1)C[*:1]
C=CCNC(=O)CN1CCN(C[C@H](O)c2cccs2)CC1 c1csc(c1)[*:1] C=CCNC(=O)CN1CCN(CC1)C[C@H](O)[*:1]
C=CCNC(=O)CN1CCN(C[C@H](O)c2cccs2)CC1 C=CC[*:1] O=C(CN1CCN(CC1)C[C@H](O)c1cccs1)N[*:1]
C=CCNC(=O)CN1CCN(C[C@H](O)c2cccs2)CC1 C=CCNC(=O)C[*:1] O[C@@H](CN1CCN(CC1)[*:1])c1cccs1
C=CCNC(=O)CN1CCN(C[C@H](O)c2cccs2)CC1 C=CCNC(=O)[*:1] O[C@@H](CN1CCN(CC1)C[*:1])c1cccs1
COCCCn1cnnc1SCc1cc(=O)oc2cc(C)ccc12 COCCC[*:1] Cc1ccc2c(cc(=O)oc2c1)CSc1nncn1[*:1]
COCCCn1cnnc1SCc1cc(=O)oc2cc(C)ccc12 COCC[*:1] Cc1ccc2c(cc(=O)oc2c1)CSc1nncn1C[*:1]
COCCCn1cnnc1SCc1cc(=O)oc2cc(C)ccc12 COC[*:1] Cc1ccc2c(cc(=O)oc2c1)CSc1nncn1CC[*:1]
C#CCOc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cc1 C1CCC(C1)[*:1] C#CCOc1ccc(cc1)C[NH+]1CCC(CC1)O[*:1]
C#CCOc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cc1 C#CC[*:1] c1cc(ccc1C[NH+]1CCC(CC1)OC1CCCC1)O[*:1]
C#CCOc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cc1 C#CCO[*:1] c1cc(ccc1C[NH+]1CCC(CC1)OC1CCCC1)[*:1]
C#CCOc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cc1 C1CCC(C1)O[*:1] C#CCOc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CCCCC/C(C)=C(\C#N)C(=O)OC CCCC[*:1] COC(=O)/C(C#N)=C(\C)C[*:1]
CCCCC/C(C)=C(\C#N)C(=O)OC COC(=O)[*:1] CCCCCC(C)=C(C#N)[*:1]
CCCCC/C(C)=C(\C#N)C(=O)OC CCC[*:1] COC(=O)/C(C#N)=C(\C)CC[*:1]
CCc1cccc2sc(N(Cc3ccccc3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12 c1ccc(cc1)[*:1] CCc1cccc2sc(nc12)N(C[*:1])C(=O)c1cccc(c1)N1C(=O)CCC1=O
CCc1cccc2sc(N(Cc3ccccc3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12 c1ccc(cc1)C[*:1] CCc1cccc2sc(nc12)N(C(=O)c1cccc(c1)N1C(=O)CCC1=O)[*:1]
CCc1cccc2sc(N(Cc3ccccc3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12 CCc1cccc2sc(nc12)[*:1] O=C1CCC(=O)N1c1cccc(c1)C(=O)N(Cc1ccccc1)[*:1]
CCc1cccc2sc(N(Cc3ccccc3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12 O=C1CCC(=O)N1[*:1] CCc1cccc2sc(nc12)N(Cc1ccccc1)C(=O)c1cccc(c1)[*:1]
CCC(=O)Nc1ccc(-c2ccc(C(=O)[O-])cc2)nc1 CCC(=O)N[*:1] O=C([O-])c1ccc(cc1)-c1ccc(cn1)[*:1]
CCC(=O)Nc1ccc(-c2ccc(C(=O)[O-])cc2)nc1 O=C([O-])[*:1] CCC(=O)Nc1ccc(nc1)-c1ccc(cc1)[*:1]
O=C1NCCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1NCCN(C(=O)c2cc(n[nH]2)-c2ccc(O)cc2)[C@H]1[*:1]
O=C1NCCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)[C@@H]1c1ccc(F)cc1 Oc1ccc(cc1)[*:1] O=C1NCCN(C(=O)c2cc(n[nH]2)[*:1])[C@@H]1c1ccc(F)cc1
O=C(OCc1nnc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(OCc1nnc(o1)-c1ccccc1)c1ccc(o1)[*:1]
O=C(OCc1nnc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])o1 c1ccc(cc1)[*:1] O=C(OCc1nnc(o1)[*:1])c1ccc(o1)[N+](=O)[O-]
CCNC(=O)NNC(=O)c1cccc(N[C@H](C)C(C)C)c1C CC(C)[C@@H](C)N[*:1] CCNC(=O)NNC(=O)c1cccc(c1C)[*:1]
CCNC(=O)NNC(=O)c1cccc(N[C@H](C)C(C)C)c1C CC(C)[*:1] CCNC(=O)NNC(=O)c1cccc(N[C@H](C)[*:1])c1C
CCNC(=O)NNC(=O)c1cccc(N[C@H](C)C(C)C)c1C CC(C)[C@@H](C)[*:1] CCNC(=O)NNC(=O)c1cccc(N[*:1])c1C
CC(C)[C@H](CO)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] CC(C)[*:1] O=C([O-])c1cc(ccc1N[C@@H](CO)[*:1])C(F)(F)F
CC(C)[C@H](CO)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] FC(F)(F)[*:1] CC(C)[C@H](CO)Nc1ccc(cc1C(=O)[O-])[*:1]
CC(C)[C@H](CO)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] CC(C)[C@H](CO)[*:1] O=C([O-])c1cc(ccc1N[*:1])C(F)(F)F
CC(C)[C@H](CO)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](CO)Nc1ccc(cc1[*:1])C(F)(F)F
NC(=O)c1cn(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)c2ccccc12 Clc1ccccc1[*:1] NC(=O)c1cn(CC(=O)Nc2nc(cs2)[*:1])c2ccccc12
NC(=O)c1cn(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)c2ccccc12 NC(=O)[*:1] O=C(Cn1cc(c2ccccc21)[*:1])Nc1nc(cs1)-c1ccccc1Cl
CCCn1cc(NC(=O)N2CCC(OCc3ccccc3OC)CC2)cn1 CCC[*:1] COc1ccccc1COC1CCN(CC1)C(=O)Nc1cnn(c1)[*:1]
CCCn1cc(NC(=O)N2CCC(OCc3ccccc3OC)CC2)cn1 COc1ccccc1C[*:1] CCCn1cc(cn1)NC(=O)N1CCC(CC1)O[*:1]
CCCn1cc(NC(=O)N2CCC(OCc3ccccc3OC)CC2)cn1 CCCn1cc(cn1)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)N[*:1]
CCCn1cc(NC(=O)N2CCC(OCc3ccccc3OC)CC2)cn1 COc1ccccc1[*:1] CCCn1cc(cn1)NC(=O)N1CCC(CC1)OC[*:1]
CC(=O)C1=C(C)OC(N)=C(C(N)=O)[C@@H]1c1cccc2ccccc12 NC(=O)[*:1] CC(=O)C1=C(C)OC(N)=C([C@@H]1c1cccc2ccccc12)[*:1]
CC(=O)C1=C(C)OC(N)=C(C(N)=O)[C@@H]1c1cccc2ccccc12 CC(=O)[*:1] CC1OC(N)=C(C(N)=O)[C@@H](C=1[*:1])c1cccc2ccccc12
CC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1nn(c(C)cc1=O)[*:1]
CC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c1 CC(=O)[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NCc2cccnc2)cs1 c1cncc(c1)[*:1] CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NC[*:1])cs1
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NCc2cccnc2)cs1 c1cncc(c1)C[*:1] CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[*:1])cs1
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NCc2cccnc2)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(/C=C/C(=O)NCc2cccnc2)cs1)[*:1]
Brc1ccc(-c2nnc(C[NH+]3CCN(Cc4nc5ccccc5s4)CC3)o2)s1 Brc1ccc(s1)[*:1] c1ccc2sc(CN3CC[NH+](CC3)Cc3nnc(o3)[*:1])nc2c1
Brc1ccc(-c2nnc(C[NH+]3CCN(Cc4nc5ccccc5s4)CC3)o2)s1 c1ccc2sc(nc2c1)[*:1] Brc1ccc(s1)-c1nnc(C[NH+]2CCN(CC2)C[*:1])o1
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)c1C c1ccc(cc1)[*:1] Cc1cc(cc(c1C)S(=O)(=O)N[C@H](C1CC1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)c1C O=[N+]([O-])[*:1] Cc1cc(cc(c1C)S(=O)(=O)N[C@H](c1ccccc1)C1CC1)[*:1]
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)c1C C1CC1[*:1] Cc1cc(cc(c1C)S(=O)(=O)N[C@H](c1ccccc1)[*:1])[N+](=O)[O-]
O=C(c1cscn1)N1C[C@H]2CCCC[C@H]2C1 c1nc(cs1)[*:1] O=C(N1C[C@H]2CCCC[C@H]2C1)[*:1]
CC(C)(C)CCC(=O)NCCOc1cccnc1 c1cncc(c1)[*:1] CC(C)(C)CCC(=O)NCCO[*:1]
CC(C)(C)CCC(=O)NCCOc1cccnc1 CC(C)(C)CC[*:1] O=C(NCCOc1cccnc1)[*:1]
CC(C)(C)CCC(=O)NCCOc1cccnc1 CC(C)(C)C[*:1] O=C(C[*:1])NCCOc1cccnc1
CC(C)(C)CCC(=O)NCCOc1cccnc1 CC(C)(C)[*:1] O=C(CC[*:1])NCCOc1cccnc1
CCC1(CNC(=O)NCc2cccc(C(=O)NC)c2)CC1 CNC(=O)[*:1] CCC1(CC1)CNC(=O)NCc1cccc(c1)[*:1]
CCC1(CNC(=O)NCc2cccc(C(=O)NC)c2)CC1 CCC1(CC1)C[*:1] CNC(=O)c1cccc(c1)CNC(=O)N[*:1]
CCC1(CNC(=O)NCc2cccc(C(=O)NC)c2)CC1 CCC1(CC1)[*:1] CNC(=O)c1cccc(c1)CNC(=O)NC[*:1]
O=C(CSc1nccn(-c2cccc(F)c2)c1=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(CSc1nccn(-c2cccc(F)c2)c1=O)N[*:1]
O=C(CSc1nccn(-c2cccc(F)c2)c1=O)Nc1ccc(F)c(Cl)c1 Fc1cccc(c1)[*:1] O=C(CSc1nccn(c1=O)[*:1])Nc1ccc(F)c(Cl)c1
Cc1ccc([S@](=O)[C@@H](C)c2nc(-c3ccccc3)no2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)[S@](=O)[C@@H](C)c1nc(no1)[*:1]
COCC[NH2+]C/C=C/c1cc(Cl)ccc1Br COC[*:1] Clc1ccc(Br)c(/C=C/C[NH2+]C[*:1])c1
COCC[NH2+]C/C=C/c1cc(Cl)ccc1Br COCC[*:1] Clc1ccc(Br)c(/C=C/C[NH2+][*:1])c1
CC(C)SC[C@@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 CC(C)S[*:1] CS(=O)(=O)N1CCC[C@@H](C[C@H]([NH3+])C[*:1])C1
CC(C)SC[C@@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 CC(C)SC[*:1] CS(=O)(=O)N1CCC[C@@H](C[C@H]([NH3+])[*:1])C1
CC(C)SC[C@@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 CC(C)[*:1] CS(=O)(=O)N1CCC[C@@H](C[C@H]([NH3+])CS[*:1])C1
CC[C@H](C)[C@@H](O)c1c[nH]nc1-c1ccc(F)cc1 CC[C@H](C)[*:1] O[C@@H](c1c[nH]nc1-c1ccc(F)cc1)[*:1]
COc1cc(C(=O)N(CC2=C[C@H]3N=CC=C3C=C2)C2CC2)cc(OC)c1OC C1CC1[*:1] COc1cc(cc(OC)c1OC)C(=O)N(CC1C=CC2=CC=N[C@@H]2C=1)[*:1]
CCOC(=O)c1nc2ccccc2c(=O)n1N/C(S)=N/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)c1nc2ccccc2c(=O)n1NC(S)=N[*:1]
CCOC(=O)c1nc2ccccc2c(=O)n1N/C(S)=N/c1ccc(Cl)cc1 CCOC(=O)[*:1] O=c1c2ccccc2nc(n1N/C(S)=N/c1ccc(Cl)cc1)[*:1]
CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 CC[C@H](C)NC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])[C@H]1CC=CCC1
CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 CC[C@H](C)[*:1] O=C(N[*:1])c1ccc(cc1)CNC(=O)[C@H]1CC=CCC1
CN(C(=O)c1nn(C)c(=O)c2ccccc12)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1nn(C)c(=O)c2ccccc12)C(c1ccccc1)[*:1]
CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2Cl)C1 CS(=O)(=O)N[*:1] O=C(Nc1ccc(F)cc1Cl)N1CCC[C@H](C1)[*:1]
Cc1ccc(NC(=O)N2CCc3ccc(O)cc3C2)s1 Cc1ccc(s1)[*:1] O=C(N[*:1])N1CCc2ccc(O)cc2C1
C[C@H](N[C@H](O)c1ccccc1)C(=O)N/N=C\c1ccco1 c1coc(c1)[*:1] C[C@H](N[C@H](O)c1ccccc1)C(=O)NN=C[*:1]
C[C@H](N[C@H](O)c1ccccc1)C(=O)N/N=C\c1ccco1 c1ccc(cc1)[*:1] C[C@H](N[C@H](O)[*:1])C(=O)N/N=C\c1ccco1
C/C(=C\C(=O)Nc1ccc(Cn2cccn2)cc1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)Nc1ccc(cc1)Cn1cccn1)[*:1]
C/C(=C\C(=O)Nc1ccc(Cn2cccn2)cc1)C(C)(C)C CC(=C[*:1])C(C)(C)C O=C(Nc1ccc(cc1)Cn1cccn1)[*:1]
C/C(=C\C(=O)Nc1ccc(Cn2cccn2)cc1)C(C)(C)C c1cnn(c1)[*:1] C/C(=C\C(=O)Nc1ccc(cc1)C[*:1])C(C)(C)C
C/C(=C\C(=O)Nc1ccc(Cn2cccn2)cc1)C(C)(C)C c1cnn(c1)C[*:1] C/C(=C\C(=O)Nc1ccc(cc1)[*:1])C(C)(C)C
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCCC[C@@H]3C)c12 Fc1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)N3CCCC[C@@H]3C)c12)[*:1]
COc1ccc(/C=N/O)nc1OC ON=C[*:1] COc1ccc(nc1OC)[*:1]
CC(=O)c1csc(NC(=O)c2cccnc2)n1 CC(=O)[*:1] O=C(Nc1nc(cs1)[*:1])c1cccnc1
C[C@@H](NC(=O)c1cc2cccc(Cl)c2o1)C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)c1cc2cccc(Cl)c2o1)[*:1]
C[C@@H](NC(=O)c1cc2cccc(Cl)c2o1)C(N)=O C[C@@H](C(N)=O)[*:1] O=C(N[*:1])c1cc2cccc(Cl)c2o1
CCN(C)C(=O)CN(CCC[NH3+])c1ccccc1F CCN(C)C(=O)[*:1] [NH3+]CCCN(C[*:1])c1ccccc1F
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])SCc1ccc(cc1)[N+](=O)[O-]
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 O=[N+]([O-])[*:1] CCn1c(nnc1-c1cccs1)SCc1ccc(cc1)[*:1]
CC[C@H](CSC)N(C)C(=O)[C@H]1CN(C)CCO1 CSC[*:1] CC[C@H](N(C)C(=O)[C@H]1CN(C)CCO1)[*:1]
CC(=O)c1cccc(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)c1 CC(=O)c1cccc(c1)[*:1] O=C(COc1ccc(cc1)NC(=O)c1ccco1)N[*:1]
CC(=O)c1cccc(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)c1 O=C(N[*:1])c1ccco1 CC(=O)c1cccc(c1)NC(=O)COc1ccc(cc1)[*:1]
CC(=O)c1cccc(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)c1 CC(=O)[*:1] O=C(COc1ccc(cc1)NC(=O)c1ccco1)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)c1 c1coc(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)COc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] Cc1ccc(Cl)cc1NC(=O)N[C@@](C)(C(=O)[O-])[*:1]
CN(CC1CC1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 C1CC1[*:1] CN(C[*:1])C(=O)Nc1ccc(nc1)Oc1ccc(F)cc1
CN(CC1CC1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 C1CC1C[*:1] CN(C(=O)Nc1ccc(nc1)Oc1ccc(F)cc1)[*:1]
CN(CC1CC1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 Fc1ccc(cc1)[*:1] CN(CC1CC1)C(=O)Nc1ccc(nc1)O[*:1]
Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cnn(C)c2C)n1 Cc1c(cnn1C)[*:1] Cc1[nH]c2ccccc2c1-c1csc(n1)NC(=O)[*:1]
CC(=O)Nc1ccc(OC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)OC(=O)[C@@H]1CC(=O)N(CC[*:1])C1
CC(=O)Nc1ccc(OC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 c1ccc(cc1)CC[*:1] CC(=O)Nc1ccc(cc1)OC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1ccc(OC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 CC(=O)N[*:1] O=C(Oc1ccc(cc1)[*:1])[C@@H]1CC(=O)N(CCc2ccccc2)C1
CC(=O)Nc1ccc(OC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)OC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccccc1-c1nn2c(=O)cc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)nc2s1 Cc1ccccc1[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)Cc1cc(=O)n2nc(sc2n1)[*:1]
Cc1ccccc1-c1nn2c(=O)cc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)nc2s1 Fc1ccc(cc1)[*:1] Cc1ccccc1-c1nn2c(=O)cc(CN3CCN(CC3)C(=O)[*:1])nc2s1
Cn1nncc1CN1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 Cn1nncc1[*:1] Clc1ccccc1[C@H](c1ccccc1)N1CCN(CC1)C[*:1]
Cn1nncc1CN1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 Cn1nncc1C[*:1] Clc1ccccc1[C@H](c1ccccc1)N1CCN(CC1)[*:1]
Cn1nncc1CN1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 c1ccc(cc1)[*:1] Cn1nncc1CN1CCN(CC1)[C@@H](c1ccccc1Cl)[*:1]
Cn1nncc1CN1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cn1nncc1CN1CCN(CC1)[C@@H](c1ccccc1)[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)N(CC)Cc2ccccn2)cc1 CC[C@@H](C)O[*:1] CCN(Cc1ccccn1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)N(CC)Cc2ccccn2)cc1 CC[C@@H](C)[*:1] CCN(Cc1ccccn1)C(=O)Nc1ccc(cc1)O[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)N(CC)Cc2ccccn2)cc1 c1ccc(nc1)[*:1] CC[C@@H](C)Oc1ccc(cc1)NC(=O)N(CC)C[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)N(CC)Cc2ccccn2)cc1 c1ccc(C[*:1])nc1 CC[C@@H](C)Oc1ccc(cc1)NC(=O)N(CC)[*:1]
CC1=NN(C(=O)c2ccc(F)cc2)[C@@](O)(c2ccc(Cl)cc2)C1 Fc1ccc(cc1)[*:1] CC1C[C@](O)(c2ccc(Cl)cc2)N(N=1)C(=O)[*:1]
CC1=NN(C(=O)c2ccc(F)cc2)[C@@](O)(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC1C[C@](O)(N(N=1)C(=O)c1ccc(F)cc1)[*:1]
C[C@H]1CCC[C@@H](NC(=O)COc2ccc(-c3nnco3)cc2)[C@@H]1C c1nnc(o1)[*:1] C[C@H]1CCC[C@@H](NC(=O)COc2ccc(cc2)[*:1])[C@@H]1C
COc1ccc(C[NH+](C)Cc2c[nH]nc2C)cc1O Cc1n[nH]cc1[*:1] COc1ccc(cc1O)C[NH+](C)C[*:1]
Cc1nsc(N)c1-c1nc(-c2ccccc2)nn1C c1ccc(cc1)[*:1] Cc1nsc(N)c1-c1nc(nn1C)[*:1]
CCc1onc(C)c1NC(=O)N1CCC[C@H]1c1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CCc1onc(C)c1NC(=O)N1CCC[C@@H]1[*:1]
CCc1onc(C)c1NC(=O)N1CCC[C@H]1c1cc(C)ccc1C CCc1onc(C)c1[*:1] Cc1ccc(C)c(c1)[C@@H]1CCCN1C(=O)N[*:1]
Cc1cc(F)c([C@H]2CO2)cc1F C1O[C@H]1[*:1] Cc1cc(F)c(cc1F)[*:1]
CCCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1Cl CCCO[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(c(Cl)c1)[*:1])c1ccccc1
CCCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] CCCOc1ccc(cc1Cl)NC(=O)C(=O)N[C@@H](C)[*:1]
CCCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1Cl C[C@@H](c1ccccc1)[*:1] CCCOc1ccc(cc1Cl)NC(=O)C(=O)N[*:1]
CCCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1Cl CCC[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(O[*:1])c(Cl)c1)c1ccccc1
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cc(F)c(F)cc1F C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)c1cc(F)c(F)cc1F
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cc(F)c(F)cc1F C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)c1cc(F)c(F)cc1F)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cc(F)c(F)cc1F CC(C)[*:1] O=C(c1cc(F)c(F)cc1F)N(C[C@H]1CCCCO1)[*:1]
C[C@@H](NC(=O)C1CCN(c2ccc(N3CCCC3)nn2)CC1)c1ccccc1 C1CCN(C1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)c1ccc(nn1)[*:1])c1ccccc1
C[C@@H](NC(=O)C1CCN(c2ccc(N3CCCC3)nn2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)c1ccc(nn1)N1CCCC1)[*:1]
C[C@@H](NC(=O)C1CCN(c2ccc(N3CCCC3)nn2)CC1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(nn1)N1CCCC1
Cc1ccc(C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1)C(=O)C(=O)Nc1cc(cc(C)c1C)[*:1]
Cc1ccc(C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(cc(NC(=O)C(=O)[*:1])c1C)S(N)(=O)=O
COc1ccccc1-n1cc(S(=O)(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cn1 COc1ccccc1[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NS(=O)(=O)c1cnn(c1)[*:1]
C/C=C(/C)C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 C1CO[C@H](C1)CN[*:1] C/C=C(/C)C(=O)Nc1ccc(c(F)c1)[*:1]
C/C=C(/C)C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 C1CO[C@H](C1)C[*:1] C/C=C(/C)C(=O)Nc1ccc(N[*:1])c(F)c1
C/C=C(/C)C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 CC=C(C)[*:1] O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)[*:1]
C/C=C(/C)C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 C1CO[C@H](C1)[*:1] C/C=C(/C)C(=O)Nc1ccc(NC[*:1])c(F)c1
C/C=C(/C)C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 C/C=C(/C)C(=O)N[*:1] Fc1cc(ccc1NC[C@H]1CCCO1)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)noc2C)c(Br)c1 CCOC(=O)[*:1] Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(cc1Br)[*:1]
Fc1ccc([C@H](NCc2cnc(-c3cccnc3)s2)[C@@H]2CCCO2)cc1 Fc1ccc(cc1)[*:1] c1cncc(c1)-c1ncc(CN[C@H]([C@@H]2CCCO2)[*:1])s1
Fc1ccc([C@H](NCc2cnc(-c3cccnc3)s2)[C@@H]2CCCO2)cc1 c1cncc(c1)[*:1] Fc1ccc(cc1)[C@H](NCc1cnc(s1)[*:1])[C@@H]1CCCO1
Fc1ccc([C@H](NCc2cnc(-c3cccnc3)s2)[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] Fc1ccc(cc1)[C@H](NCc1cnc(s1)-c1cccnc1)[*:1]
Cc1cccn2c(=O)c(C(=O)NCC3(C4CC4)CCC3)cnc12 C1CC(C1)(C1CC1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NC[*:1]
Cc1cccn2c(=O)c(C(=O)NCC3(C4CC4)CCC3)cnc12 C1CC1[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NCC1(CCC1)[*:1]
CC(C)OC(=O)/C(=C\c1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 CC(C)[*:1] O=C(O[*:1])/C(=C\c1ccccc1)NC(=O)c1cccc(c1)[N+](=O)[O-]
CC(C)OC(=O)/C(=C\c1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)OC(=O)/C(=C\c1ccccc1)NC(=O)c1cccc(c1)[*:1]
CC(C)OC(=O)/C(=C\c1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 CC(C)OC(=O)[*:1] O=C(N/C(=C/c1ccccc1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC(C)OC(=O)/C(=C\c1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CC(C)OC(=O)C(=C[*:1])NC(=O)c1cccc(c1)[N+](=O)[O-]
Cc1nn(-c2ccccn2)c2c1[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 c1ccc(nc1)[*:1] Cc1nn(c2NC3CC(C)(C)CC(=O)C=3[C@@H](c3ccncc3)c12)[*:1]
Cc1nn(-c2ccccn2)c2c1[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 c1cc(ccn1)[*:1] Cc1nn(-c2ccccn2)c2NC3CC(C)(C)CC(=O)C=3[C@@H](c12)[*:1]
CCC(C)(C)C1CCC([NH+]2CCC(N3CCNC3=O)CC2)CC1 CCC(C)(C)[*:1] O=C1NCCN1C1CC[NH+](CC1)C1CCC(CC1)[*:1]
CCC(C)(C)C1CCC([NH+]2CCC(N3CCNC3=O)CC2)CC1 O=C1NCCN1[*:1] CCC(C)(C)C1CCC(CC1)[NH+]1CCC(CC1)[*:1]
CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 C1CN(CCO1)[*:1] CC(C)c1ccc(cc1)-n1nc2ccc(cc2n1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 O=[N+]([O-])[*:1] CC(C)c1ccc(cc1)-n1nc2ccc(cc2n1)NC(=O)c1ccc(c(c1)[*:1])N1CCOCC1
CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(Nc1ccc2nn(nc2c1)[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 CC(C)[*:1] O=C(Nc1ccc2nn(nc2c1)-c1ccc(cc1)[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
CNC(=O)c1cc(C)ccc1NC(=O)c1nc(C2CC2)n2ccccc12 CNC(=O)[*:1] Cc1ccc(NC(=O)c2nc(C3CC3)n3ccccc23)c(c1)[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] CNC(=O)c1cc(C)ccc1NC(=O)c1nc(n2ccccc12)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N(C)[C@H](C)c1cc(F)ccc1F C[C@@H](O)[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCC(C)(C)C[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N(C)[C@H](C)c1cc(F)ccc1F C[C@@H](O)C[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCC(C)(C)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)N(C)[C@H](C)c1cc(F)ccc1F C[C@@H](O)CC(C)(C)[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC[*:1]
CCc1nc(C[NH2+][C@@H]2CCCC[C@@H]2[S@@](=O)CC)cs1 CC[S@](=O)[*:1] CCc1nc(cs1)C[NH2+][C@@H]1CCCC[C@H]1[*:1]
CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 c1ccc(C[*:1])nc1 CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CC1)C[*:1]
CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 O=[N+]([O-])[*:1] CN(C(=O)c1ccc(Cl)cc1[*:1])C1CC[NH+](CCc2ccccn2)CC1
CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 c1ccc(nc1)[*:1] CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CC1)CC[*:1]
CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 c1ccc(CC[*:1])nc1 CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CC1)[*:1]
CCO[C@@H]1C[C@H]([NH2+][C@@H](C)Cn2cnc(C)c2C)C1(C)C CCO[*:1] Cc1ncn(C[C@H](C)[NH2+][C@H]2C[C@H](C2(C)C)[*:1])c1C
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cnc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cnc(c1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cnc([N+](=O)[O-])c1 C[C@H]1CCCC[C@H]1[*:1] O=C(Cn1cnc(c1)[N+](=O)[O-])NC(=O)N[*:1]
CC(C)(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1cccc(F)c1 N#Cc1ccc(nc1)O[*:1] CC(C)(C(=O)NC1CCC(CC1)[*:1])c1cccc(F)c1
CC(C)(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1cccc(F)c1 N#Cc1ccc(nc1)[*:1] CC(C)(C(=O)NC1CCC(CC1)O[*:1])c1cccc(F)c1
CC(C)(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(C(=O)NC1CCC(CC1)Oc1ccc(C#N)cn1)[*:1]
Cc1nc2nc(SCC(=O)NC3CC3)nn2c(C)c1Cc1ccccc1Cl Clc1ccccc1C[*:1] Cc1nc2nc(nn2c(C)c1[*:1])SCC(=O)NC1CC1
Cc1nc2nc(SCC(=O)NC3CC3)nn2c(C)c1Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1nc2nc(nn2c(C)c1C[*:1])SCC(=O)NC1CC1
Cc1nc2nc(SCC(=O)NC3CC3)nn2c(C)c1Cc1ccccc1Cl O=C(C[*:1])NC1CC1 Cc1nc2nc(nn2c(C)c1Cc1ccccc1Cl)S[*:1]
Cc1nc2nc(SCC(=O)NC3CC3)nn2c(C)c1Cc1ccccc1Cl O=C(CS[*:1])NC1CC1 Cc1nc2nc(nn2c(C)c1Cc1ccccc1Cl)[*:1]
Cc1nc2nc(SCC(=O)NC3CC3)nn2c(C)c1Cc1ccccc1Cl O=C(NC1CC1)[*:1] Cc1nc2nc(nn2c(C)c1Cc1ccccc1Cl)SC[*:1]
Cc1nc2nc(SCC(=O)NC3CC3)nn2c(C)c1Cc1ccccc1Cl C1CC1[*:1] Cc1nc2nc(nn2c(C)c1Cc1ccccc1Cl)SCC(=O)N[*:1]
CC[NH2+][C@H](Cc1cccnc1)[C@@H](C)CC CC[C@H](C)[*:1] CC[NH2+][C@H](Cc1cccnc1)[*:1]
CC(C)Cc1[nH]c(=O)c(C#N)c2c1COC(C)(C)C2 CC(C)C[*:1] CC1(C)Cc2c(CO1)c([nH]c(=O)c2C#N)[*:1]
CC(C)Cc1[nH]c(=O)c(C#N)c2c1COC(C)(C)C2 CC(C)[*:1] CC1(C)Cc2c(CO1)c(C[*:1])[nH]c(=O)c2C#N
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3O)CC2)c1C Cc1cc(C)c(C)c(c1C)[*:1] O=C(NNC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1O
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3O)CC2)c1C Oc1ccccc1[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)NNC(=O)[*:1]
CCOC(=O)c1c(NCc2ccccc2Cl)c2ccccc2[nH]c1=O Clc1ccccc1[*:1] CCOC(=O)c1c(NC[*:1])c2ccccc2[nH]c1=O
CCOC(=O)c1c(NCc2ccccc2Cl)c2ccccc2[nH]c1=O Clc1ccccc1C[*:1] CCOC(=O)c1c(N[*:1])c2ccccc2[nH]c1=O
CCOC(=O)c1c(NCc2ccccc2Cl)c2ccccc2[nH]c1=O CCOC(=O)[*:1] O=c1[nH]c2ccccc2c(NCc2ccccc2Cl)c1[*:1]
CCNC(=O)Nc1cccc(NC(=O)CNC(=O)c2cccc(C)c2)c1 CCNC(=O)N[*:1] Cc1cccc(c1)C(=O)NCC(=O)Nc1cccc(c1)[*:1]
CCNC(=O)Nc1cccc(NC(=O)CNC(=O)c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] CCNC(=O)Nc1cccc(c1)NC(=O)CNC(=O)[*:1]
CCNS(=O)(=O)c1ccc(OC)c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 CCNS(=O)(=O)[*:1] COc1ccc(cc1C(=O)N1C[C@@H](C)C[C@@H](C)C1)[*:1]
CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1nnc2ccccn12 CC(C)[*:1] O=C(N[C@H](c1nnc2ccccn12)[*:1])c1cc(nc2ccccc12)-c1ccccc1
CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1nnc2ccccn12 c1ccn2c(nnc2c1)[*:1] CC(C)[C@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1nnc2ccccn12 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1cc(nc2ccccc12)[*:1])c1nnc2ccccn12
O=C(NC[C@@]1(O)CCc2ccccc21)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(NC[C@@]1(O)CCc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
CCN(Cc1ccoc1)C(=O)[C@H](C)CCc1cccc(F)c1 c1cc(co1)[*:1] CCN(C[*:1])C(=O)[C@H](C)CCc1cccc(F)c1
CCN(Cc1ccoc1)C(=O)[C@H](C)CCc1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(Cc1ccoc1)C(=O)[C@H](C)CC[*:1]
CCN(Cc1ccoc1)C(=O)[C@H](C)CCc1cccc(F)c1 c1cc(co1)C[*:1] CCN(C(=O)[C@H](C)CCc1cccc(F)c1)[*:1]
CC(C)Cn1cncc1Cn1ccnc1-c1cnc(-c2ccco2)nc1 CC(C)[*:1] c1coc(c1)-c1ncc(cn1)-c1nccn1Cc1cncn1C[*:1]
CC(C)Cn1cncc1Cn1ccnc1-c1cnc(-c2ccco2)nc1 CC(C)C[*:1] c1coc(c1)-c1ncc(cn1)-c1nccn1Cc1cncn1[*:1]
CC(C)Cn1cncc1Cn1ccnc1-c1cnc(-c2ccco2)nc1 c1coc(c1)[*:1] CC(C)Cn1cncc1Cn1ccnc1-c1cnc(nc1)[*:1]
O=C(CNC(=O)OCC(F)(F)F)Nc1cc(F)cc(F)c1 FC(F)(F)[*:1] O=C(CNC(=O)OC[*:1])Nc1cc(F)cc(F)c1
O=C(CNC(=O)OCC(F)(F)F)Nc1cc(F)cc(F)c1 FC(F)(F)C[*:1] O=C(CNC(=O)O[*:1])Nc1cc(F)cc(F)c1
COCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 COC[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCCC1
COCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 COCC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCCC1
O=C(Cc1ccccc1)N1CCC[C@H](OCc2cccc(F)c2F)C1 c1ccc(cc1)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)OCc1cccc(F)c1F
O=C(Cc1ccccc1)N1CCC[C@H](OCc2cccc(F)c2F)C1 c1ccc(cc1)C[*:1] O=C(N1CCC[C@@H](C1)OCc1cccc(F)c1F)[*:1]
O=C(Cc1ccccc1)N1CCC[C@H](OCc2cccc(F)c2F)C1 Fc1cccc(c1F)[*:1] O=C(Cc1ccccc1)N1CCC[C@@H](C1)OC[*:1]
CC(C)[C@H](C)CC(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1 CC(C)[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)C[C@@H](C)[*:1]
CC(C)[C@H](C)CC(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)[C@H](C)CC(=O)N[C@H]1C[C@H](C)N(C1)[*:1]
CC(C)[C@H](C)CC(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1 CC(C)[C@H](C)[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)C[*:1]
CC(C)[C@H](C)CC(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1 CC(C)[C@H](C)C[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)[*:1]
O=C([O-])[C@@H](CCOC(F)(F)F)Cc1ccccc1Cl O=C([O-])[*:1] FC(F)(F)OCC[C@@H](Cc1ccccc1Cl)[*:1]
O=C([O-])[C@@H](CCOC(F)(F)F)Cc1ccccc1Cl FC(F)(F)O[*:1] O=C([O-])[C@@H](CC[*:1])Cc1ccccc1Cl
O=C([O-])[C@@H](CCOC(F)(F)F)Cc1ccccc1Cl FC(F)(F)OC[*:1] O=C([O-])[C@H](Cc1ccccc1Cl)C[*:1]
O=C([O-])[C@@H](CCOC(F)(F)F)Cc1ccccc1Cl FC(F)(F)[*:1] O=C([O-])[C@@H](CCO[*:1])Cc1ccccc1Cl
CCOC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 CCOC(=O)[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)SCC(=O)NC[*:1]
CCOC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 CCOC(=O)C[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)SCC(=O)N[*:1]
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)[C@@H]2/C=N/CC[NH+]2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C1[C@H](/C=N/CC[NH+]2CCOCC2)C(=NN1c1nc2ccccc2s1)[*:1]
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)[C@@H]2/C=N/CC[NH+]2CCOCC2)cc1 c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1)C1=NN(C(=O)[C@@H]1/C=N/CC[NH+]1CCOCC1)[*:1]
CC(C)[C@@H](CS)CN1C(=O)CC(C)(C)C1=O CC(C)[*:1] CC1(C)CC(=O)N(C[C@H](CS)[*:1])C1=O
CS(=O)(=O)c1ccccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 c1coc(c1)[*:1] CS(=O)(=O)c1ccccc1NC(=O)NC[C@H]([NH+]1CCCCC1)[*:1]
CS(=O)(=O)c1ccccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 CS(=O)(=O)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccc1[*:1]
COc1ccc(-c2nsc3c(N4CCC[C@@H](C)C4)ncnc23)cc1 C[C@@H]1CCCN(C1)[*:1] COc1ccc(cc1)-c1nsc2c(ncnc12)[*:1]
COc1ccc(-c2nsc3c(N4CCC[C@@H](C)C4)ncnc23)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCCN(C1)c1ncnc2c(nsc12)[*:1]
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)[C@@H](NC(=O)c1ccc(C)c(c1)NC(=O)c1ccco1)[*:1]
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](C[*:1])NC(=O)c1ccc(C)c(c1)NC(=O)c1ccco1
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)[C@@H](CN1CCOCC1)NC(=O)c1ccc(C)c(c1)[*:1]
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@@H](CN1CCOCC1)NC(=O)c1ccc(C)c(c1)NC(=O)[*:1]
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)N[C@H](CN1CCOCC1)[*:1]
Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c(F)c1 Cc1cc(no1)[*:1] Cc1ccc(NC(=O)CS[C@H](C)C(=O)N[*:1])c(F)c1
Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c(F)c1 Cc1ccc(c(F)c1)[*:1] Cc1cc(no1)NC(=O)[C@@H](C)SCC(=O)N[*:1]
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 FC(F)(F)[*:1] C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(c1)[*:1])c1ccccc1
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)[*:1]
COCCCN/C=C1/C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O Fc1cccc(c1)C[*:1] COCCCN/C=C1/C(=O)c2sccc2N(S1(=O)=O)[*:1]
COCCCN/C=C1/C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O COC[*:1] O=C1/C(=C/NCC[*:1])S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21
COCCCN/C=C1/C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O COCCCN[*:1] O=C1C(=C[*:1])S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21
COCCCN/C=C1/C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O COCCC[*:1] O=C1/C(=C/N[*:1])S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21
COCCCN/C=C1/C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O Fc1cccc(c1)[*:1] COCCCN/C=C1/C(=O)c2sccc2N(C[*:1])S1(=O)=O
COCCCN/C=C1/C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O COCC[*:1] O=C1/C(=C/NC[*:1])S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21
CCc1nn(C)c(OC)c1CNC(=O)NCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)NCc1ccc(cc1)[*:1]
Cn1cccc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 c1ccc(cc1)[*:1] Cn1cccc1C(=O)O[C@H](C(=O)NC1CC1)[*:1]
Cn1cccc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 Cn1cccc1[*:1] O=C(NC1CC1)[C@@H](OC(=O)[*:1])c1ccccc1
Cn1cccc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 C1CC1[*:1] Cn1cccc1C(=O)O[C@H](C(=O)N[*:1])c1ccccc1
Cn1cccc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 O=C(NC1CC1)[*:1] Cn1cccc1C(=O)O[C@H](c1ccccc1)[*:1]
Cc1ccc(NC(=O)C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H]1CN(CCO1)Cc1cccc(c1)CNC(=O)C(=O)N[*:1]
COc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCC4=CCCCC4)CC(=O)N32)cc1 COc1ccc(cc1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](N2C(=O)CN1CCC1=CCCCC1)[*:1]
O=C(C[C@H]1C(=O)Nc2ccccc21)NCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=C(C[C@H]1C(=O)Nc2ccccc21)NCc1ccc(cc1)[*:1]
CC/[NH+]=C(/NC[C@@H]1CCC[C@H]1O)N(C)Cc1ncnn1C O[C@@H]1CCC[C@H]1[*:1] CC/[NH+]=C(/NC[*:1])N(C)Cc1ncnn1C
CC/[NH+]=C(/NC[C@@H]1CCC[C@H]1O)N(C)Cc1ncnn1C Cn1ncnc1[*:1] CC/[NH+]=C(/NC[C@@H]1CCC[C@H]1O)N(C)C[*:1]
CC/[NH+]=C(/NC[C@@H]1CCC[C@H]1O)N(C)Cc1ncnn1C O[C@@H]1CCC[C@H]1C[*:1] CC/[NH+]=C(/N[*:1])N(C)Cc1ncnn1C
CC/[NH+]=C(/NC[C@@H]1CCC[C@H]1O)N(C)Cc1ncnn1C Cn1ncnc1C[*:1] CC/[NH+]=C(/NC[C@@H]1CCC[C@H]1O)N(C)[*:1]
CC[C@@H](C)c1ccc(NC(=O)c2ccc(C)nc2)cc1 CC[C@@H](C)[*:1] Cc1ccc(cn1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C)c(NC(=O)c2ccc(-c3ccccc3)s2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)c2ccc(s2)[*:1])c(C)c1
COc1cc(C2=NO[C@H](C(=O)N3CCCC3)C2)cc(OC)c1OC O=C(N1CCCC1)[*:1] COc1cc(cc(OC)c1OC)C1C[C@@H](ON=1)[*:1]
Cc1ccccc1Nc1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)s1 Cc1ccccc1N[*:1] O=C(CSc1nnc(s1)[*:1])N[C@H]1CCCc2ccccc21
Cc1ccccc1Nc1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)s1 Cc1ccccc1[*:1] O=C(CSc1nnc(N[*:1])s1)N[C@H]1CCCc2ccccc21
O=C(NC1CC1)N(Cc1ccc(O)cc1)CC1CC1 C1CC1C[*:1] O=C(NC1CC1)N(Cc1ccc(O)cc1)[*:1]
O=C(NC1CC1)N(Cc1ccc(O)cc1)CC1CC1 C1CC1[*:1] O=C(N[*:1])N(Cc1ccc(O)cc1)CC1CC1
O=C(NC1CC1)N(Cc1ccc(O)cc1)CC1CC1 C1CC1[*:1] O=C(NC1CC1)N(Cc1ccc(O)cc1)C[*:1]
O=[S@](Cc1cccc(Cl)c1)Cc1nnnn1C1CC1 C1CC1[*:1] O=[S@](Cc1cccc(Cl)c1)Cc1nnnn1[*:1]
CSc1ccc(Cl)cc1NCC(=O)NCc1ccco1 c1coc(c1)[*:1] CSc1ccc(Cl)cc1NCC(=O)NC[*:1]
CSc1ccc(Cl)cc1NCC(=O)NCc1ccco1 c1coc(c1)C[*:1] CSc1ccc(Cl)cc1NCC(=O)N[*:1]
CCCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1ccncc1 CCC[*:1] Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1[*:1]
CCCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCCn1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1cc(F)ccc1C
CCCn1c(S[C@@H](C)C(=O)Nc2cc(F)ccc2C)nnc1-c1ccncc1 Cc1ccc(F)cc1[*:1] CCCn1c(nnc1-c1ccncc1)S[C@@H](C)C(=O)N[*:1]
O=C(NCCOc1cccc(C(F)(F)F)c1)N[C@H]1CCC[C@@H]1CO FC(F)(F)[*:1] O=C(NCCOc1cccc(c1)[*:1])N[C@H]1CCC[C@@H]1CO
N#CCn1cnc(Cl)c1Cl N#CC[*:1] Clc1ncn(c1Cl)[*:1]
CC(C)COc1cccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c1 CC(C)[*:1] O=C(c1cccc(c1)OC[*:1])N1CCN(CC1)Cc1nc2sc3CCCCc3c2c(=O)[nH]1
CC(C)COc1cccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c1 CC(C)COc1cccc(c1)[*:1] O=C(N1CCN(CC1)Cc1nc2sc3CCCCc3c2c(=O)[nH]1)[*:1]
CC(C)COc1cccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c1 CC(C)CO[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)Cc1nc2sc3CCCCc3c2c(=O)[nH]1
CC(C)COc1cccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c1 CC(C)C[*:1] O=C(c1cccc(c1)O[*:1])N1CCN(CC1)Cc1nc2sc3CCCCc3c2c(=O)[nH]1
Cc1cc(F)cc(/C([O-])=N/S(=O)(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1cc(F)cc(c1)/C([O-])=N/S(=O)(=O)[*:1]
COCc1nc(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)cs1 O=C(N[*:1])c1ccco1 COCc1nc(cs1)C(=O)Oc1ccc(cc1)[*:1]
COCc1nc(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)cs1 c1coc(c1)[*:1] COCc1nc(cs1)C(=O)Oc1ccc(cc1)NC(=O)[*:1]
COCc1nc(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)cs1 COCc1nc(cs1)[*:1] O=C(Nc1ccc(cc1)OC(=O)[*:1])c1ccco1
COCc1nc(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)cs1 COC[*:1] O=C(Oc1ccc(cc1)NC(=O)c1ccco1)c1csc(n1)[*:1]
COC[C@H](C)NC(=O)N[C@H](C)CSC COC[*:1] CSC[C@@H](C)NC(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)N[C@H](C)CSC CSC[*:1] COC[C@H](C)NC(=O)N[C@H](C)[*:1]
C#CCN1CCN(C(=O)NCCc2nc3ccccc3n2CC)CC1 C#CC[*:1] CCn1c(CCNC(=O)N2CCN(CC2)[*:1])nc2ccccc21
O=C(Nc1cnc(-c2ccccc2)s1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)C(F)(F)F
O=C(Nc1cnc(-c2ccccc2)s1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
COc1ccccc1/C(C)=C/C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 COc1ccccc1[*:1] CC(=CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1)[*:1]
COc1ccccc1/C(C)=C/C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 COc1ccccc1C(C)=C[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)Nc1ccc(cc1Cl)NC(=O)[*:1]
COc1ccccc1/C(C)=C/C(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc(C)cc2C)c(Cl)c1 Cc1cc(C)n(n1)[*:1] COc1ccccc1/C(C)=C/C(=O)Nc1ccc(NC(=O)[C@@H](C)[*:1])c(Cl)c1
Cc1nnc([C@H]2CCN(C(=O)NC(C)C)C2)o1 CC(C)[*:1] Cc1nnc(o1)[C@H]1CCN(C1)C(=O)N[*:1]
COCC1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 COC[*:1] [NH3+]Cc1ccc(o1)C(=O)N1CCC(CC1)[*:1]
Cc1ccccc1NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O CC(C)[*:1] Cc1ccccc1NC(=O)[C@@H](N1Cc2ccccc2C1=O)[*:1]
Cc1ccccc1NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O Cc1ccccc1[*:1] CC(C)[C@H](C(=O)N[*:1])N1Cc2ccccc2C1=O
O=[N+]([O-])c1ccc2nnn(C(=S)c3ccc(Br)cc3)c2c1 Brc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc2nnn(C(=S)[*:1])c2c1
O=[N+]([O-])c1ccc2nnn(C(=S)c3ccc(Br)cc3)c2c1 O=[N+]([O-])[*:1] S=C(c1ccc(Br)cc1)n1nnc2ccc(cc21)[*:1]
Cc1ccc(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)s1 Cc1ccc(s1)[*:1] O=C(NC[*:1])C(=O)Nc1cccc(c1)C[NH+]1CCCCC1
Cc1ccc(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)s1 Cc1ccc(C[*:1])s1 O=C(Nc1cccc(c1)C[NH+]1CCCCC1)C(=O)N[*:1]
CC(C)(NC(=O)N1CCCC1)/C(N)=N/O N/C(=N\O)[*:1] CC(C)(NC(=O)N1CCCC1)[*:1]
Cc1ccc(-c2c(C)sc3nc(C[NH+]4CCN([C@@H]5CCS(=O)(=O)C5)CC4)[nH]c(=O)c23)cc1 Cc1ccc(cc1)[*:1] Cc1sc2nc(C[NH+]3CCN(CC3)[C@@H]3CCS(=O)(=O)C3)[nH]c(=O)c2c1[*:1]
CN(Cc1ccccc1Cl)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 Clc1ccccc1[*:1] CN(C[*:1])C(=O)c1ccccc1C(=O)c1ccc(F)cc1
CN(Cc1ccccc1Cl)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1ccccc1Cl)C(=O)c1ccccc1C(=O)[*:1]
CN(Cc1ccccc1Cl)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 Clc1ccccc1C[*:1] CN(C(=O)c1ccccc1C(=O)c1ccc(F)cc1)[*:1]
CN(Cc1ccccc1Cl)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] CN(Cc1ccccc1Cl)C(=O)c1ccccc1[*:1]
COc1ccc(CC(=O)[C@@H](C#N)C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)CC(=O)[C@@H](C#N)C(=O)N[*:1]
COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc23)C1 COC(=O)[*:1] Cc1nnc(c2nn(-c3ccccc3)c(C)c12)N1CCC[C@H](C1)C(=O)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc23)C1 COC(=O)c1ccccc1[*:1] Cc1nnc(c2nn(-c3ccccc3)c(C)c12)N1CCC[C@H](C1)C(=O)N[*:1]
COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc23)C1 c1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C1)c1nnc(C)c2c(C)n(nc12)[*:1]
Cc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N1CCNC(=O)CC1
Cc1ccc(NC(=O)NC(=O)CSc2nnc(C3CCCCC3)n2N)c(C)c1 Cc1ccc(c(C)c1)[*:1] Nn1c(nnc1C1CCCCC1)SCC(=O)NC(=O)N[*:1]
Cc1ccc(NC(=O)NC(=O)CSc2nnc(C3CCCCC3)n2N)c(C)c1 C1CCC(CC1)[*:1] Cc1ccc(NC(=O)NC(=O)CSc2nnc(n2N)[*:1])c(C)c1
Cc1ccc2nc(C)cc(C(=O)NCCc3cscn3)c2c1 c1nc(cs1)C[*:1] Cc1ccc2nc(C)cc(C(=O)NC[*:1])c2c1
Cc1ccc2nc(C)cc(C(=O)NCCc3cscn3)c2c1 c1nc(cs1)CC[*:1] Cc1ccc2nc(C)cc(C(=O)N[*:1])c2c1
Cc1ccc2nc(C)cc(C(=O)NCCc3cscn3)c2c1 c1nc(cs1)[*:1] Cc1ccc2nc(C)cc(C(=O)NCC[*:1])c2c1
Cc1ncsc1C(=O)NCc1ccc2c(c1)OCCO2 Cc1ncsc1[*:1] O=C(NCc1ccc2OCCOc2c1)[*:1]
Clc1ccc(-c2cn3nc([C@H]4CCCO4)sc3n2)c(Cl)c1 C1CO[C@H](C1)[*:1] Clc1ccc(-c2cn3nc(sc3n2)[*:1])c(Cl)c1
[NH3+][C@@H](CNC(=O)c1cccc2ncccc12)C1CC1 C1CC1[*:1] [NH3+][C@@H](CNC(=O)c1cccc2ncccc12)[*:1]
CCC(=O)N1CCN(C(=O)Cc2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] CCC(=O)N1CCN(CC1)C(=O)C[*:1]
CSc1ncc(C(=O)NC2CCCC2)c(Cl)n1 C1CCC(C1)[*:1] CSc1ncc(C(=O)N[*:1])c(Cl)n1
CCN(CC(=O)NC(C)C)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 FC(F)(F)[*:1] CCN(CC(=O)NC(C)C)C(=O)c1ccc(o1)-c1cccc(c1)[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 CC(C)NC(=O)C[*:1] CCN(C(=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F)[*:1]
CCN(CC(=O)NC(C)C)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 CC(C)[*:1] CCN(CC(=O)N[*:1])C(=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F
CCN(CC(=O)NC(C)C)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 CC(C)NC(=O)[*:1] CCN(C[*:1])C(=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F
CN(C)C(=O)[C@H]1CCCN(C(=O)CSc2cc(Cl)ccc2Cl)C1 CN(C)C(=O)[*:1] O=C(CSc1cc(Cl)ccc1Cl)N1CCC[C@@H](C1)[*:1]
COc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC(C)(C)C3)CC2)cc1 COc1ccc(cc1)[*:1] CC1(C)C[C@H](CCO1)C[NH+]1CCN(CC1)C(=O)[*:1]
O=C([O-])COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 Fc1ccc(cc1)[*:1] O=C([O-])COc1ccccc1/C=N/NC(=O)c1cc(nc2ccccc12)[*:1]
O=C([O-])COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 O=C([O-])[*:1] O=C(N/N=C/c1ccccc1OC[*:1])c1cc(nc2ccccc12)-c1ccc(F)cc1
O=C([O-])COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 O=C([O-])C[*:1] O=C(N/N=C/c1ccccc1O[*:1])c1cc(nc2ccccc12)-c1ccc(F)cc1
O=C([O-])COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 O=C([O-])CO[*:1] O=C(N/N=C/c1ccccc1[*:1])c1cc(nc2ccccc12)-c1ccc(F)cc1
O=C(NC1CC1)c1ccc(CN(c2ncnc3[nH]ncc23)C2CC2)cc1 C1CC1[*:1] O=C(NC1CC1)c1ccc(cc1)CN(c1ncnc2[nH]ncc12)[*:1]
O=C(NC1CC1)c1ccc(CN(c2ncnc3[nH]ncc23)C2CC2)cc1 O=C(NC1CC1)[*:1] c1nc(c2cn[nH]c2n1)N(Cc1ccc(cc1)[*:1])C1CC1
O=C(NC1CC1)c1ccc(CN(c2ncnc3[nH]ncc23)C2CC2)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(cc1)CN(c1ncnc2[nH]ncc12)C1CC1
O=C(NCc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 c1cncc(c1)[*:1] O=C(NC[*:1])c1ccc(=O)n(Cc2ccc(F)cc2)n1
O=C(NCc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 c1cncc(c1)C[*:1] O=C(N[*:1])c1ccc(=O)n(Cc2ccc(F)cc2)n1
O=C(NCc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)C[*:1] O=C(NCc1cccnc1)c1ccc(=O)n(n1)[*:1]
O=C(NCc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1ccc(=O)n(C[*:1])n1
Cc1ncsc1CN(C)C[C@@H]1CCCC(C)(C)C1=O Cc1ncsc1[*:1] CN(C[C@@H]1CCCC(C)(C)C1=O)C[*:1]
CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)C[C@H](C)n1ccnc1)C2 CC(=O)N1CCCC[C@@H]1[*:1] C[C@@H](CC(=O)N1CCc2nc(ncc2C1)[*:1])n1ccnc1
CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)C[C@H](C)n1ccnc1)C2 c1cn(cn1)[*:1] CC(=O)N1CCCC[C@H]1c1ncc2CN(CCc2n1)C(=O)C[C@H](C)[*:1]
CC(C)[C@H](O)CCNC(=O)N[C@H](C)c1cccc(Cl)c1Cl CC(C)[*:1] C[C@@H](NC(=O)NCC[C@@H](O)[*:1])c1cccc(Cl)c1Cl
CC(C)[C@H](O)CCNC(=O)N[C@H](C)c1cccc(Cl)c1Cl CC(C)[C@H](O)[*:1] C[C@@H](NC(=O)NCC[*:1])c1cccc(Cl)c1Cl
CC(C)[C@H](O)CCNC(=O)N[C@H](C)c1cccc(Cl)c1Cl CC(C)[C@H](O)C[*:1] C[C@@H](NC(=O)NC[*:1])c1cccc(Cl)c1Cl
CC(C)[C@H](O)CCNC(=O)N[C@H](C)c1cccc(Cl)c1Cl CC(C)[C@H](O)CC[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(Cl)c1Cl
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(Br)c2)N1Cc1ccncc1 c1cc(ccn1)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(Br)c2)N1C[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(Br)c2)N1Cc1ccncc1 c1ccc(cc1)[*:1] O=C1c2[nH]nc(c2[C@H](c2cccc(Br)c2)N1Cc1ccncc1)[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(Br)c2)N1Cc1ccncc1 c1cc(ccn1)C[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(Br)c2)N1[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(Br)c2)N1Cc1ccncc1 Brc1cccc(c1)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](N1Cc1ccncc1)[*:1]
Cn1cc(CCC(=O)NNc2ccc(-c3ccccc3)nn2)cn1 Cn1cc(cn1)CC[*:1] O=C(NNc1ccc(nn1)-c1ccccc1)[*:1]
Cn1cc(CCC(=O)NNc2ccc(-c3ccccc3)nn2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)CCC(=O)NNc1ccc(nn1)[*:1]
Cn1cc(CCC(=O)NNc2ccc(-c3ccccc3)nn2)cn1 Cn1cc(cn1)C[*:1] O=C(C[*:1])NNc1ccc(nn1)-c1ccccc1
Cn1cc(CCC(=O)NNc2ccc(-c3ccccc3)nn2)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])NNc1ccc(nn1)-c1ccccc1
CCc1cccc(C(=O)NCCCC(=O)NC2CC2)c1O O=C(NC1CC1)[*:1] CCc1cccc(C(=O)NCCC[*:1])c1O
CCc1cccc(C(=O)NCCCC(=O)NC2CC2)c1O O=C(C[*:1])NC1CC1 CCc1cccc(C(=O)NCC[*:1])c1O
CCc1cccc(C(=O)NCCCC(=O)NC2CC2)c1O C1CC1[*:1] CCc1cccc(C(=O)NCCCC(=O)N[*:1])c1O
Cn1nccc1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 c1ccc(cc1)[*:1] Cn1nccc1-c1nc2c3cnn(c3ncn2n1)[*:1]
Cn1nccc1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 Cn1nccc1[*:1] c1ccc(cc1)-n1ncc2c1ncn1nc(nc21)[*:1]
CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cccs2)cn1 c1csc(c1)C[*:1] CCn1cc(cn1)[C@@H]1OCC[C@@H]1C[NH2+][*:1]
CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cccs2)cn1 c1csc(c1)[*:1] CCn1cc(cn1)[C@@H]1OCC[C@@H]1C[NH2+]C[*:1]
COC(=O)CCSc1cc(OC)cc(F)c1[N+](=O)[O-] COC(=O)C[*:1] COc1cc(F)c(c(c1)SC[*:1])[N+](=O)[O-]
COC(=O)CCSc1cc(OC)cc(F)c1[N+](=O)[O-] COC(=O)CC[*:1] COc1cc(F)c(c(c1)S[*:1])[N+](=O)[O-]
COC(=O)CCSc1cc(OC)cc(F)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)CCSc1cc(cc(F)c1[*:1])OC
COC(=O)CCSc1cc(OC)cc(F)c1[N+](=O)[O-] COC(=O)[*:1] COc1cc(F)c(c(c1)SCC[*:1])[N+](=O)[O-]
N#Cc1ccc(OCCNC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(cc1)OCCNC(=O)c1c[nH]nc1[*:1]
N#Cc1ccc(OCCNC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])c1c[nH]nc1-c1ccc(F)cc1
COc1ccc(C[C@H](C)CNC(=O)c2ccc(C(N)=O)cn2)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccc(cn1)C(N)=O)C[*:1]
COc1ccc(C[C@H](C)CNC(=O)c2ccc(C(N)=O)cn2)cc1 NC(=O)[*:1] COc1ccc(cc1)C[C@H](C)CNC(=O)c1ccc(cn1)[*:1]
CCCc1cc(C(=O)NC[C@H]2CCOc3ccccc3C2)no1 CCC[*:1] O=C(NC[C@H]1CCOc2ccccc2C1)c1cc(on1)[*:1]
C[C@H](CO)[C@H](C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](CO)[C@H](C)NC(=O)c1ccc(cc1)C(=O)O[*:1]
C[C@H](CO)[C@H](C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 C[C@H](CO)[*:1] C[C@H](NC(=O)c1ccc(cc1)C(=O)OC(C)(C)C)[*:1]
C[C@H](CO)[C@H](C)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)OC(=O)[*:1] C[C@H](CO)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)[C@]2(C)Oc3ccc(Cl)cc3NC2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](NC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O)[*:1]
CC[NH+]1CCc2nc(-c3ccccc3)n(CC(=O)N3CCOc4ccc(C)cc43)c(=O)c2C1 c1ccc(cc1)[*:1] CC[NH+]1CCc2nc(n(CC(=O)N3CCOc4ccc(C)cc43)c(=O)c2C1)[*:1]
CC(C)N1C(=O)CC[C@@H]([NH3+])[C@H]1c1cccc(C2CC2)c1 CC(C)[*:1] [NH3+][C@@H]1CCC(=O)N([C@@H]1c1cccc(c1)C1CC1)[*:1]
CC(C)N1C(=O)CC[C@@H]([NH3+])[C@H]1c1cccc(C2CC2)c1 C1CC1[*:1] CC(C)N1C(=O)CC[C@@H]([NH3+])[C@H]1c1cccc(c1)[*:1]
CCC(C)(C)NC(=O)c1cn(-c2ccc(Cl)cc2)nn1 CCC(C)(C)[*:1] O=C(N[*:1])c1cn(nn1)-c1ccc(Cl)cc1
O=C1CCC(c2nc(-c3cnccn3)no2)=NN1Cc1ccc(F)cc1 c1cnc(cn1)[*:1] O=C1CCC(=NN1Cc1ccc(F)cc1)c1nc(no1)[*:1]
O=C1CCC(c2nc(-c3cnccn3)no2)=NN1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1CCC(=NN1C[*:1])c1nc(no1)-c1cnccn1
O=C1CCC(c2nc(-c3cnccn3)no2)=NN1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C1CCC(=NN1[*:1])c1nc(no1)-c1cnccn1
CC(=O)Nc1ccc(SCC(=O)Nc2cc(C)cc(C)c2)cc1 CC(=O)N[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1ccc(cc1)[*:1]
COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 Cc1nc(cs1)[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)NC(C)=O)[*:1]
COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)[*:1])-c1csc(C)n1
Cc1ncc(CC(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)c(=O)[nH]1 C1CC1[*:1] Cc1ncc(CC(=O)N2CCC(=O)N(C[*:1])[C@H](C2)C(C)C)c(=O)[nH]1
Cc1ncc(CC(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)c(=O)[nH]1 Cc1ncc(c(=O)[nH]1)[*:1] CC(C)[C@H]1CN(CCC(=O)N1CC1CC1)C(=O)C[*:1]
Cc1ncc(CC(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)c(=O)[nH]1 C1CC1C[*:1] Cc1ncc(CC(=O)N2CCC(=O)N([C@H](C2)C(C)C)[*:1])c(=O)[nH]1
Cc1ncc(CC(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)c(=O)[nH]1 CC(C)[*:1] Cc1ncc(CC(=O)N2CCC(=O)N(CC3CC3)[C@@H](C2)[*:1])c(=O)[nH]1
O=C(Nc1ccccc1)c1ccc(-c2nc3ccccc3s2)o1 c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(o1)-c1nc2ccccc2s1
Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc([N-]S(=O)(=O)[*:1])c(c1)C[NH+](C)C
O=C(Cc1cccc(OC(F)F)c1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 FC(F)[*:1] O=C(Cc1cccc(c1)O[*:1])N[C@H]1C[C@@H]1c1cccc(Cl)c1
O=C(Cc1cccc(OC(F)F)c1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 FC(F)O[*:1] O=C(Cc1cccc(c1)[*:1])N[C@H]1C[C@@H]1c1cccc(Cl)c1
O=C(Cc1cccc(OC(F)F)c1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cc1cccc(c1)OC(F)F)N[C@H]1C[C@H]1[*:1]
Cc1cc(C(=O)Nc2ccc(Cl)nc2)nn1-c1ccccc1 Clc1ccc(cn1)[*:1] Cc1cc(nn1-c1ccccc1)C(=O)N[*:1]
Cc1cc(C(=O)Nc2ccc(Cl)nc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)Nc1ccc(Cl)nc1
Cc1ccc(CNc2ncccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CNc1ncccc1[*:1]
C[C@@H](CNC(=O)N1CCCCC[C@@H]1c1ccco1)N1CCOC[C@H]1C C[C@@H]1COCCN1[*:1] C[C@@H](CNC(=O)N1CCCCC[C@@H]1c1ccco1)[*:1]
C[C@@H](CNC(=O)N1CCCCC[C@@H]1c1ccco1)N1CCOC[C@H]1C c1coc(c1)[*:1] C[C@@H](CNC(=O)N1CCCCC[C@H]1[*:1])N1CCOC[C@H]1C
Cc1ccc(NC(=O)CS(=O)(=O)CC(C)C)c(N)c1 CC(C)[*:1] Cc1ccc(NC(=O)CS(=O)(=O)C[*:1])c(N)c1
Cc1ccc(NC(=O)CS(=O)(=O)CC(C)C)c(N)c1 CC(C)C[*:1] Cc1ccc(NC(=O)CS(=O)(=O)[*:1])c(N)c1
O=C([O-])COC1CCN(Cc2nccs2)CC1 O=C([O-])CO[*:1] c1csc(CN2CCC(CC2)[*:1])n1
O=C([O-])COC1CCN(Cc2nccs2)CC1 O=C([O-])C[*:1] c1csc(CN2CCC(CC2)O[*:1])n1
O=C([O-])COC1CCN(Cc2nccs2)CC1 O=C([O-])[*:1] c1csc(CN2CCC(CC2)OC[*:1])n1
O=C([O-])COC1CCN(Cc2nccs2)CC1 c1csc(n1)[*:1] O=C([O-])COC1CCN(CC1)C[*:1]
CSc1ccc([C@H]([C@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] CSc1ccc(cc1)[C@H]([C@H](C(=O)c1cccs1)N1CCOCC1)[*:1]
CSc1ccc([C@H]([C@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1 CSc1ccc(cc1)[*:1] O=C(c1cccs1)[C@@H]([C@H](N1CCOCC1)[*:1])N1CCOCC1
CSc1ccc([C@H]([C@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1 c1csc(c1)[*:1] CSc1ccc(cc1)[C@H]([C@H](C(=O)[*:1])N1CCOCC1)N1CCOCC1
CSc1ccc([C@H]([C@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] CSc1ccc(cc1)[C@H]([C@H](C(=O)c1cccs1)[*:1])N1CCOCC1
CSc1ccc([C@H]([C@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1 O=C(c1cccs1)[*:1] CSc1ccc(cc1)[C@H]([C@H](N1CCOCC1)[*:1])N1CCOCC1
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1C(=O)N[C@@H]1CCN(C1=O)[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)N[C@@H]1CCN(C1=O)c1ccccc1)[*:1]
CS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCCC2)cc1 CS(=O)(=O)[*:1] O=C(NNC(=O)C1CCCC1)c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)[*:1]
CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1coc2ccc(C)cc2c1=O CCOC(=O)[*:1] CC1N=C2CC(C)(C)CC(=O)[C@@H]2[C@H](C=1[*:1])c1coc2ccc(C)cc2c1=O
CCc1nn(C)c(OC)c1CN1CCC[C@@H](c2nc(C)cs2)C1 Cc1csc(n1)[*:1] CCc1nn(C)c(OC)c1CN1CCC[C@@H](C1)[*:1]
CCCc1nc(C)c(C(=O)NCCn2c(C(C)C)n[nH]c2=S)s1 CCC[*:1] Cc1nc(sc1C(=O)NCCn1c(n[nH]c1=S)C(C)C)[*:1]
CCCc1nc(C)c(C(=O)NCCn2c(C(C)C)n[nH]c2=S)s1 CC(C)[*:1] CCCc1nc(C)c(s1)C(=O)NCCn1c(n[nH]c1=S)[*:1]
NC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 NC(=O)N[*:1] O=C(CN1CCOCC1)Nc1ccc(cc1)[*:1]
NC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 C1CN(CCO1)[*:1] NC(=O)Nc1ccc(cc1)NC(=O)C[*:1]
O=C(Cc1c(F)cccc1F)Nc1cc(F)ccc1-n1cccn1 Fc1cccc(F)c1[*:1] O=C(C[*:1])Nc1cc(F)ccc1-n1cccn1
O=C(Cc1c(F)cccc1F)Nc1cc(F)ccc1-n1cccn1 c1cnn(c1)[*:1] O=C(Cc1c(F)cccc1F)Nc1cc(F)ccc1[*:1]
FC(F)(F)CNCc1n[nH]c(-c2ccccc2)n1 FC(F)(F)[*:1] c1ccc(cc1)-c1nc(CNC[*:1])n[nH]1
FC(F)(F)CNCc1n[nH]c(-c2ccccc2)n1 c1ccc(cc1)[*:1] FC(F)(F)CNCc1n[nH]c(n1)[*:1]
FC(F)(F)CNCc1n[nH]c(-c2ccccc2)n1 FC(F)(F)CN[*:1] c1ccc(cc1)-c1nc(C[*:1])n[nH]1
FC(F)(F)CNCc1n[nH]c(-c2ccccc2)n1 FC(F)(F)C[*:1] c1ccc(cc1)-c1nc(CN[*:1])n[nH]1
C[C@@H](C#N)C(=O)N1C[C@H](C)[C@@H](C)C1 C[C@@H](C#N)[*:1] C[C@H]1CN(C[C@@H]1C)C(=O)[*:1]
CC[C@H]1CC[C@@](C[NH3+])([C@H](O)c2ccc(C(C)C)cc2)C1 CC(C)[*:1] CC[C@H]1CC[C@](C[NH3+])(C1)[C@H](O)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3C[C@@H](C)O[C@H](C)C3)C2)nc1 Cc1ccc(nc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CC[C@@H](CC#N)N[C@@H]1CC[NH2+]C1 N#CC[*:1] CC[C@@H](N[C@@H]1CC[NH2+]C1)[*:1]
CC(=O)N[C@H](C)C(=O)O[C@@H]1CCc2ccc(Cl)cc21 CC(=O)N[*:1] C[C@H](C(=O)O[C@@H]1CCc2ccc(Cl)cc21)[*:1]
CC(=O)N[C@H](C)C(=O)O[C@@H]1CCc2ccc(Cl)cc21 CC(=O)N[C@H](C)[*:1] O=C(O[C@@H]1CCc2ccc(Cl)cc21)[*:1]
COc1cc(-c2c(C#N)c(N)nc3c2c(=O)n(C)c(=O)n3C)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])-c1c(C#N)c(N)nc2c1c(=O)n(C)c(=O)n2C
COc1cc(-c2c(C#N)c(N)nc3c2c(=O)n(C)c(=O)n3C)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])-c1c(C#N)c(N)nc2c1c(=O)n(C)c(=O)n2C
COc1cc(-c2c(C#N)c(N)nc3c2c(=O)n(C)c(=O)n3C)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])-c1c(C#N)c(N)nc2c1c(=O)n(C)c(=O)n2C
C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C(=O)NCc1ccco1 FC(F)(F)[*:1] C[C@H](NC(=O)c1cccc(c1F)[*:1])C(=O)NCc1ccco1
C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)c1cccc(c1F)C(F)(F)F)C(=O)NC[*:1]
C[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](NC(=O)c1cccc(c1F)C(F)(F)F)C(=O)N[*:1]
C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)OCO2 N#Cc1ccc(cc1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)NCc1ccc2OCOc2c1
C#Cc1cc(F)c(NC(=O)N(C[C@H]2CCOC2)C2CC2)c(F)c1 C1C[C@@H](CO1)C[*:1] C#Cc1cc(F)c(NC(=O)N(C2CC2)[*:1])c(F)c1
C#Cc1cc(F)c(NC(=O)N(C[C@H]2CCOC2)C2CC2)c(F)c1 C1C[C@@H](CO1)[*:1] C#Cc1cc(F)c(NC(=O)N(C[*:1])C2CC2)c(F)c1
C#Cc1cc(F)c(NC(=O)N(C[C@H]2CCOC2)C2CC2)c(F)c1 C1CC1[*:1] C#Cc1cc(F)c(NC(=O)N(C[C@H]2CCOC2)[*:1])c(F)c1
Cc1ccc(OCCNC(=O)N(C)Cc2cccc(C#N)c2)cc1 N#Cc1cccc(c1)[*:1] Cc1ccc(cc1)OCCNC(=O)N(C)C[*:1]
Cc1ccc(OCCNC(=O)N(C)Cc2cccc(C#N)c2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1cccc(C#N)c1)C(=O)NCCO[*:1]
Cc1ccc(OCCNC(=O)N(C)Cc2cccc(C#N)c2)cc1 Cc1ccc(cc1)O[*:1] CN(Cc1cccc(C#N)c1)C(=O)NCC[*:1]
CCO[C@@H](CCNC(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCC1 CCO[*:1] CC1(C)[C@@H](NC(=O)NCC[C@@H](C2CCCC2)[*:1])[C@@H]2CCO[C@@H]21
CCO[C@@H](CCNC(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCC1 C1CCC(C1)[*:1] CCO[C@@H](CCNC(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[*:1]
O=Cc1ccc(-c2ccc(-c3ccccc3)cc2)o1 c1ccc(cc1)[*:1] O=Cc1ccc(o1)-c1ccc(cc1)[*:1]
CCOC(=O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CCOC(=O)CN[C@@H](c1ccc(F)cc1)[*:1]
CCOC(=O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 CCOC(=O)[*:1] Fc1ccc(cc1)[C@@H](NC[*:1])c1ccccc1
CCOC(=O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)CN[C@@H](c1ccccc1)[*:1]
CCOC(=O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 CCOC(=O)CN[*:1] Fc1ccc(cc1)[C@H](c1ccccc1)[*:1]
CCOC(=O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 CCOC(=O)C[*:1] Fc1ccc(cc1)[C@@H](N[*:1])c1ccccc1
Cc1ccc(C(=O)[C@]2(C)[C@@H]3c4c(ccc5ccccc45)OC(=O)[C@@]32C(=O)c2ccco2)cc1 Cc1ccc(cc1)C(=O)[*:1] C[C@@]1([C@@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)c1ccco1)[*:1]
Cc1ccc(C(=O)[C@]2(C)[C@@H]3c4c(ccc5ccccc45)OC(=O)[C@@]32C(=O)c2ccco2)cc1 Cc1ccc(cc1)[*:1] C[C@@]1(C(=O)[*:1])[C@@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)c1ccco1
Cc1ccc(C(=O)[C@]2(C)[C@@H]3c4c(ccc5ccccc45)OC(=O)[C@@]32C(=O)c2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C(=O)[C@]1(C)[C@@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)[*:1]
Cc1ccc(C(=O)[C@]2(C)[C@@H]3c4c(ccc5ccccc45)OC(=O)[C@@]32C(=O)c2ccco2)cc1 O=C(c1ccco1)[*:1] Cc1ccc(cc1)C(=O)[C@]1(C)[C@@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21[*:1]
CC[NH2+][C@@H](CSC1CCCC1)c1ccc(Cl)c(OC)c1 C1CCC(C1)S[*:1] CC[NH2+][C@@H](C[*:1])c1ccc(Cl)c(c1)OC
CC[NH2+][C@@H](CSC1CCCC1)c1ccc(Cl)c(OC)c1 C1CCC(C1)[*:1] CC[NH2+][C@@H](CS[*:1])c1ccc(Cl)c(c1)OC
CCCCn1c([O-])c(C(=O)c2cccc(OCC)c2)c(C)c(C#N)c1=O CCC[*:1] CCOc1cccc(c1)C(=O)c1c(C)c(C#N)c(=O)n(C[*:1])c1[O-]
CCCCn1c([O-])c(C(=O)c2cccc(OCC)c2)c(C)c(C#N)c1=O CCCC[*:1] CCOc1cccc(c1)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
CCCCn1c([O-])c(C(=O)c2cccc(OCC)c2)c(C)c(C#N)c1=O CCO[*:1] CCCCn1c([O-])c(C(=O)c2cccc(c2)[*:1])c(C)c(C#N)c1=O
Cc1n[nH]c(SCC(=O)NCCc2csc(-c3ccccc3)n2)n1 Cc1n[nH]c(n1)S[*:1] O=C(C[*:1])NCCc1csc(n1)-c1ccccc1
Cc1n[nH]c(SCC(=O)NCCc2csc(-c3ccccc3)n2)n1 Cc1n[nH]c(n1)SC[*:1] O=C(NCCc1csc(n1)-c1ccccc1)[*:1]
Cc1n[nH]c(SCC(=O)NCCc2csc(-c3ccccc3)n2)n1 Cc1n[nH]c(n1)[*:1] O=C(CS[*:1])NCCc1csc(n1)-c1ccccc1
Cc1n[nH]c(SCC(=O)NCCc2csc(-c3ccccc3)n2)n1 c1ccc(cc1)[*:1] Cc1n[nH]c(n1)SCC(=O)NCCc1csc(n1)[*:1]
CCCN(C(=O)Cc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(Cc1ccc2ccccc2c1)N([C@H]1CCS(=O)(=O)C1)[*:1]
C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCC[C@@H](O)C(C)(C)C)cc1c32 CC(C)(C)[C@H](O)[*:1] C[C@H]1C(=O)N2CCCc3cc(cc1c32)NC(=O)C(=O)NCC[*:1]
C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCC[C@@H](O)C(C)(C)C)cc1c32 CC(C)(C)[C@H](O)C[*:1] C[C@H]1C(=O)N2CCCc3cc(cc1c32)NC(=O)C(=O)NC[*:1]
C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCC[C@@H](O)C(C)(C)C)cc1c32 CC(C)(C)[C@H](O)CC[*:1] C[C@H]1C(=O)N2CCCc3cc(cc1c32)NC(=O)C(=O)N[*:1]
C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCC[C@@H](O)C(C)(C)C)cc1c32 CC(C)(C)[*:1] C[C@H]1C(=O)N2CCCc3cc(cc1c32)NC(=O)C(=O)NCC[C@@H](O)[*:1]
O=C(Cc1coc2cc3c(cc12)CCC3)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(Cc1coc2cc3CCCc3cc12)NC(C1CC1)[*:1]
O=C(Cc1coc2cc3c(cc12)CCC3)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] O=C(Cc1coc2cc3CCCc3cc12)N[*:1]
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NN1Cc2ccccc2C1 CC(C)[*:1] O=C(N[C@@H](C(=O)NN1Cc2ccccc2C1)[*:1])c1cccs1
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NN1Cc2ccccc2C1 O=C(N[*:1])c1cccs1 CC(C)[C@@H](C(=O)NN1Cc2ccccc2C1)[*:1]
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NN1Cc2ccccc2C1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NN1Cc2ccccc2C1
Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1nccs1 c1csc(n1)[*:1] Cc1c(Br)c(nn1[C@H](C)C(=O)N[*:1])[N+](=O)[O-]
Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1nccs1 O=[N+]([O-])[*:1] Cc1c(Br)c(nn1[C@H](C)C(=O)Nc1nccs1)[*:1]
CC[C@@H]([NH2+]Cc1cccc(O)c1)c1nccs1 c1csc(n1)[*:1] CC[C@@H]([NH2+]Cc1cccc(O)c1)[*:1]
CCc1cccc2c(C3CC[NH+](CCCOC(=O)NC(N)=O)CC3)c[nH]c12 NC(=O)NC(=O)OC[*:1] CCc1cccc2c(c[nH]c12)C1CC[NH+](CC1)CC[*:1]
CCc1cccc2c(C3CC[NH+](CCCOC(=O)NC(N)=O)CC3)c[nH]c12 NC(=O)NC(=O)O[*:1] CCc1cccc2c(c[nH]c12)C1CC[NH+](CCC[*:1])CC1
CCc1cccc2c(C3CC[NH+](CCCOC(=O)NC(N)=O)CC3)c[nH]c12 NC(=O)NC(=O)OCC[*:1] CCc1cccc2c(c[nH]c12)C1CC[NH+](CC1)C[*:1]
CCCn1ccc2ccc(NC(=O)NCC(=O)NC)cc21 CCC[*:1] CNC(=O)CNC(=O)Nc1ccc2ccn(c2c1)[*:1]
CCCn1ccc2ccc(NC(=O)NCC(=O)NC)cc21 CNC(=O)C[*:1] CCCn1ccc2ccc(cc21)NC(=O)N[*:1]
CCCn1ccc2ccc(NC(=O)NCC(=O)NC)cc21 CNC(=O)[*:1] CCCn1ccc2ccc(cc21)NC(=O)NC[*:1]
C[C@@H]([NH2+]C[C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1N(C)C c1cnc(nc1)[*:1] C[C@@H]([NH2+]C[C@@H]1CCCN(C1)[*:1])c1ccc(F)cc1N(C)C
C[C@@H]([NH2+]C[C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1N(C)C CN(C)[*:1] C[C@@H]([NH2+]C[C@@H]1CCCN(C1)c1ncccn1)c1ccc(F)cc1[*:1]
Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 Cc1ccc2cc(c(=O)[nH]c2c1)[*:1] c1ccc(cc1)CN1CCN(CC1)[C@H](c1nnnn1C[C@@H]1CCCO1)[*:1]
Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 c1ccc(cc1)C[*:1] Cc1ccc2cc(c(=O)[nH]c2c1)[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(CC1)[*:1]
Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1 c1ccc(cc1)[*:1] Cc1ccc2cc(c(=O)[nH]c2c1)[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(CC1)C[*:1]
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccc(F)cc2)[nH]n1 FC(F)(F)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1cc([nH]n1)-c1ccc(F)cc1
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccc(F)cc2)[nH]n1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)c(c1)C(F)(F)F)c1cc([nH]n1)[*:1]
O=C(CCc1ccc(Cl)c(Cl)c1)NCC1(c2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(CCc1ccc(Cl)c(Cl)c1)NCC1(CC1)[*:1]
CCCc1nn(C)c2c1[nH]c(=S)n2[C@H]1CCCC[C@@H]1CC CCC[*:1] CC[C@H]1CCCC[C@@H]1n1c(=S)[nH]c2c(nn(C)c21)[*:1]
N#CC1=C(C(C#N)C#N)N[C@@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] N#CC1=C(N[C@@](O)([C@H]([C@@H]1c1ccccc1)[n+]1ccccc1)[*:1])C(C#N)C#N
N#CC1=C(C(C#N)C#N)N[C@@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] N#CC1=C(N[C@@](O)(c2ccccc2)[C@H]([C@H]1[*:1])[n+]1ccccc1)C(C#N)C#N
N#CC1=C(C(C#N)C#N)N[C@@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@@H]1c1ccccc1 c1cc[n+](cc1)[*:1] N#CC1=C(N[C@@](O)(c2ccccc2)[C@@H]([C@@H]1c1ccccc1)[*:1])C(C#N)C#N
C[NH+](C)[C@H](CNC(=O)NNC(=O)OC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] C[NH+](C)[C@H](CNC(=O)NNC(=O)O[*:1])c1ccccc1
C[NH+](C)[C@H](CNC(=O)NNC(=O)OC(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)NNC(=O)OC(C)(C)C)[*:1]
CC(C)(C)NC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 CC(C)(C)[*:1] O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[*:1]
CC(=O)Nc1sc(C)c(C)c1C(=O)N1CCCC1 CC(=O)N[*:1] Cc1sc(c(C(=O)N2CCCC2)c1C)[*:1]
Clc1ccc(-c2noc(CSCCc3ccncc3)n2)cc1 Clc1ccc(cc1)[*:1] c1cc(ccn1)CCSCc1nc(no1)[*:1]
Clc1ccc(-c2noc(CSCCc3ccncc3)n2)cc1 c1cc(ccn1)C[*:1] Clc1ccc(cc1)-c1noc(CSC[*:1])n1
Clc1ccc(-c2noc(CSCCc3ccncc3)n2)cc1 c1cc(ccn1)[*:1] Clc1ccc(cc1)-c1noc(CSCC[*:1])n1
COc1cccc(CC(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)c1 C1CC1[*:1] COc1cccc(c1)CC(=O)NCC1CCN(CC1)S(=O)(=O)[*:1]
COc1cccc(CC(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])NCC1CCN(CC1)S(=O)(=O)C1CC1
CCC(=O)Nc1cccc(NC(=O)NCC2(c3ccccc3F)CC2)c1 CCC(=O)N[*:1] O=C(NCC1(CC1)c1ccccc1F)Nc1cccc(c1)[*:1]
CCC(=O)Nc1cccc(NC(=O)NCC2(c3ccccc3F)CC2)c1 Fc1ccccc1[*:1] CCC(=O)Nc1cccc(c1)NC(=O)NCC1(CC1)[*:1]
CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 CCNC(=O)[*:1] O=C1C[C@H](CN1c1ccccc1)[*:1]
COc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccc(C)cc3Cl)c2c1 Cc1ccc(c(Cl)c1)[*:1] COc1ccc2c(=O)c(cn(CC(=O)N[*:1])c2c1)C(=O)c1ccncc1
COc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccc(C)cc3Cl)c2c1 O=C(c1ccncc1)[*:1] COc1ccc2c(=O)c(cn(CC(=O)Nc3ccc(C)cc3Cl)c2c1)[*:1]
COc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccc(C)cc3Cl)c2c1 c1cc(ccn1)[*:1] COc1ccc2c(=O)c(cn(CC(=O)Nc3ccc(C)cc3Cl)c2c1)C(=O)[*:1]
COc1ccc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccc(C)cc3Cl)c2c1 Cc1ccc(NC(=O)[*:1])c(Cl)c1 COc1ccc2c(=O)c(cn(C[*:1])c2c1)C(=O)c1ccncc1
CSCC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O CSCC[*:1] O=C1N[C@H](C(=O)N1Cc1ccccc1)[*:1]
CSCC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O CSC[*:1] O=C1N[C@@H](C[*:1])C(=O)N1Cc1ccccc1
CSCC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CSCC[C@@H]1NC(=O)N(C[*:1])C1=O
Cc1ccc(/C=N/NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NN=C[*:1])C1CC[NH+](CC1)Cc1ccc(Br)cc1
Cc1ccc(/C=N/NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 Brc1ccc(cc1)C[*:1] Cc1ccc(/C=N/NC(=O)C2CC[NH+](CC2)[*:1])cc1
Cc1ccc(/C=N/NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(/C=N/NC(=O)C2CC[NH+](CC2)C[*:1])cc1
CSc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CSc1ccc(cc1)NC(=O)CCc1cccc(c1)[*:1]
CCc1cccc(NC(=O)CCC(=O)N[C@H](C)c2ncn[nH]2)c1 c1n[nH]c(n1)[*:1] CCc1cccc(c1)NC(=O)CCC(=O)N[C@H](C)[*:1]
CCc1n[nH]c(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)n1 C1CO[C@H](C1)C[*:1] CCc1n[nH]c(n1)-n1ccc2nc3ccn(c(=O)c3cc2c1=O)[*:1]
CCc1n[nH]c(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)n1 CCc1n[nH]c(n1)[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1C[C@H]1CCCO1)[*:1]
COC[C@@H]1CN(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)CCO1 FC(F)(F)[*:1] COC[C@@H]1CN(CCO1)C(=O)NCC[C@@H](C)c1cccc(c1)[*:1]
COC[C@@H]1CN(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)CCO1 COC[*:1] C[C@H](CCNC(=O)N1CCO[C@@H](C1)[*:1])c1cccc(c1)C(F)(F)F
CCC[C@H](NC(=O)c1cc(OC)c(OC)cc1C)c1ccc2c(c1)OCCO2 CCC[*:1] COc1cc(C)c(cc1OC)C(=O)N[C@H](c1ccc2OCCOc2c1)[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c2)no1 Cc1nc(no1)[*:1] CC(C)c1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)c1cc(cs1)[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c2)no1 CC(C)c1ccc(cc1)[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c2)no1 CC(C)[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccn(-c3ccccc3F)n2)C1 CCNS(=O)(=O)[*:1] O=C(c1ccn(n1)-c1ccccc1F)N1CC[C@@H](C1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccn(-c3ccccc3F)n2)C1 Fc1ccccc1[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)c1ccn(n1)[*:1]
Cc1ccc2c(c1)N(C)C(=O)[C@](C)(C(=O)Nc1cccc(C)n1)O2 Cc1cccc(n1)[*:1] Cc1ccc2O[C@@](C)(C(=O)N[*:1])C(=O)N(C)c2c1
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(O)c4)c3N2)cc1 O=C(Nc1cccc(O)c1)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](n2ncc(c2N1)[*:1])C(F)(F)F
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(O)c4)c3N2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(O)c1)c1cnn2c1N[C@H](C[C@@H]2C(F)(F)F)[*:1]
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(O)c4)c3N2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)[C@H]1C[C@H](n2ncc(C(=O)Nc3cccc(O)c3)c2N1)[*:1]
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(O)c4)c3N2)cc1 Oc1cccc(c1)[*:1] COc1ccc(cc1)[C@H]1C[C@@H](n2ncc(C(=O)N[*:1])c2N1)C(F)(F)F
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1OC(F)F FC(F)O[*:1] Cc1nc(sc1C(=O)Nc1ccccc1[*:1])-c1ccc(F)cc1
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1OC(F)F Fc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)Nc1ccccc1OC(F)F)[*:1]
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1OC(F)F FC(F)[*:1] Cc1nc(sc1C(=O)Nc1ccccc1O[*:1])-c1ccc(F)cc1
Cc1cc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NCc1cccc(c1)NC(=O)c1ccc(F)cc1
Cc1cc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)ccc1[N+](=O)[O-] O=C(N[*:1])c1ccc(F)cc1 Cc1cc(ccc1[N+](=O)[O-])C(=O)NCc1cccc(c1)[*:1]
Cc1cc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)ccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NCc1cccc(c1)NC(=O)[*:1]
Cc1cc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)ccc1[N+](=O)[O-] Cc1cc(ccc1[N+](=O)[O-])[*:1] O=C(Nc1cccc(c1)CNC(=O)[*:1])c1ccc(F)cc1
C[C@H]1C[C@@H](C)CN(c2oc(Cc3ccccc3)nc2C#N)C1 c1ccc(cc1)C[*:1] C[C@H]1C[C@@H](C)CN(C1)c1oc(nc1C#N)[*:1]
C[C@H]1C[C@@H](C)CN(c2oc(Cc3ccccc3)nc2C#N)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)c1oc(C[*:1])nc1C#N
COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccccc3)c2)no1 c1ccc(cc1)[*:1] COc1ccccc1-c1nc(no1)-c1cccc(c1)OCC(=O)N[*:1]
COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccccc3)c2)no1 O=C(C[*:1])Nc1ccccc1 COc1ccccc1-c1nc(no1)-c1cccc(c1)O[*:1]
COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccccc3)c2)no1 COc1ccccc1[*:1] O=C(COc1cccc(c1)-c1noc(n1)[*:1])Nc1ccccc1
COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccccc3)c2)no1 O=C(Nc1ccccc1)[*:1] COc1ccccc1-c1nc(no1)-c1cccc(c1)OC[*:1]
C[C@H]([NH2+][C@H]1CCCc2occc21)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H]([NH2+][C@H]1CCCc2occc21)c1ccc(cc1)[*:1]
COc1cc(/C=C/c2nc(C#N)c(N3CCOCC3)o2)cc(OC)c1OC C1CN(CCO1)[*:1] COc1cc(/C=C/c2nc(C#N)c(o2)[*:1])cc(OC)c1OC
O=C(CSc1ncccn1)N/N=C/c1ccc(Cl)cc1Cl c1cnc(nc1)S[*:1] O=C(C[*:1])N/N=C/c1ccc(Cl)cc1Cl
O=C(CSc1ncccn1)N/N=C/c1ccc(Cl)cc1Cl c1cnc(nc1)[*:1] O=C(CS[*:1])N/N=C/c1ccc(Cl)cc1Cl
COC[C@H](C)OC(=O)C1(c2cccc(F)c2)CCCC1 COC[*:1] C[C@H](OC(=O)C1(CCCC1)c1cccc(F)c1)[*:1]
COC[C@H](C)OC(=O)C1(c2cccc(F)c2)CCCC1 COC[C@H](C)[*:1] O=C(O[*:1])C1(CCCC1)c1cccc(F)c1
Cc1cccc(OCC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCCC2)c1 Cc1ccc(o1)[*:1] Cc1cccc(c1)OCC(=O)NC[C@H]([NH+]1CCCCC1)[*:1]
Cc1cccc(OCC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCCC2)c1 Cc1cccc(c1)O[*:1] Cc1ccc(o1)[C@@H](CNC(=O)C[*:1])[NH+]1CCCCC1
Cc1cccc(OCC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCCC2)c1 Cc1cccc(c1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)CO[*:1])[NH+]1CCCCC1
Cc1cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)on1 Cc1cc(on1)[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)C(F)(F)F
Cc1cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)on1 FC(F)(F)[*:1] Cc1cc(on1)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1cc(ccc1-c1ccc(CO)o1)NC(=S)NC(=O)[*:1]
COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1Cl OCc1ccc(o1)[*:1] COc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccc(c(C)c1)[*:1]
COc1cc(C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc(OC)c1OC Cc1ccc(cc1)C(=O)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1c(oc2ccccc12)[*:1]
COc1cc(C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc(OC)c1OC Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1c(oc2ccccc12)C(=O)[*:1]
Cc1ccc([C@@](O)(CC(=O)N(C)CCc2ccncc2)C(F)(F)F)o1 Cc1ccc(o1)[*:1] CN(CCc1ccncc1)C(=O)C[C@](O)(C(F)(F)F)[*:1]
Cc1ccc([C@@](O)(CC(=O)N(C)CCc2ccncc2)C(F)(F)F)o1 c1cc(ccn1)[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)N(C)CC[*:1])C(F)(F)F
Cc1ccc([C@@](O)(CC(=O)N(C)CCc2ccncc2)C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)N(C)CCc1ccncc1)[*:1]
Cc1ccc([C@@](O)(CC(=O)N(C)CCc2ccncc2)C(F)(F)F)o1 c1cc(ccn1)CC[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)N(C)[*:1])C(F)(F)F
Cc1ccc([C@@](O)(CC(=O)N(C)CCc2ccncc2)C(F)(F)F)o1 c1cc(ccn1)C[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)N(C)C[*:1])C(F)(F)F
CC(C)(C)C(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)NC2CCCC2)CC1 O=C(NC1CCCC1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)[C@@H](C#N)[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)[C@@H](C#N)C(=O)N[*:1]
CC(C)(C)C(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)NC2CCCC2)CC1 CC(C)(C)[*:1] N#C[C@@H](C(=O)NC1CCCC1)C(=O)C1CCN(CC1)C(=O)[*:1]
CN1CCN(C(=O)c2nc(-c3ccccn3)no2)CC1 c1ccc(nc1)[*:1] CN1CCN(CC1)C(=O)c1nc(no1)[*:1]
CS[C@H](CO)[C@@H](C)NC(=O)c1nc(-c2cccc(Cl)c2)[nH]c1C Clc1cccc(c1)[*:1] CS[C@H](CO)[C@@H](C)NC(=O)c1nc([nH]c1C)[*:1]
O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1ccc2OCOc2c1)[*:1]
CCCCOCCN1CC(=O)N2CCC[C@H]2C1=O CCCCO[*:1] O=C1[C@@H]2CCCN2C(=O)CN1CC[*:1]
CCCCOCCN1CC(=O)N2CCC[C@H]2C1=O CCCC[*:1] O=C1[C@@H]2CCCN2C(=O)CN1CCO[*:1]
CCCCOCCN1CC(=O)N2CCC[C@H]2C1=O CCC[*:1] O=C1[C@@H]2CCCN2C(=O)CN1CCOC[*:1]
CCCCOCCN1CC(=O)N2CCC[C@H]2C1=O CCCCOC[*:1] O=C1[C@@H]2CCCN2C(=O)CN1C[*:1]
Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCc2ccccc2C1 O=C(N[*:1])c1ccccc1F Cn1c(C[*:1])nnc1SCC(=O)N1CCc2ccccc2C1
Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCc2ccccc2C1 Fc1ccccc1[*:1] Cn1c(CNC(=O)[*:1])nnc1SCC(=O)N1CCc2ccccc2C1
CN1C(=O)CC[C@@H](C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CN1C(=O)CC[C@@H](C(=O)Nc2cnn(c2)CC[NH+](C)C)[C@@H]1[*:1]
Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] Cc1ccc(c(c1)Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NC[*:1])C(C)C
Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c1 Cc1ccc(c(c1)[*:1])C(C)C N#C/C(=C\c1c(nc2ccccn2c1=O)O[*:1])C(=O)NCc1ccco1
Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c1 O=C(NCc1ccco1)[*:1] Cc1ccc(c(c1)Oc1nc2ccccn2c(=O)c1C=C(C#N)[*:1])C(C)C
Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c1 CC(C)[*:1] Cc1ccc(c(c1)Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NCc1ccco1)[*:1]
Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] Cc1ccc(c(c1)Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)N[*:1])C(C)C
Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c1 Cc1ccc(c(c1)O[*:1])C(C)C N#C/C(=C\c1c(nc2ccccn2c1=O)[*:1])C(=O)NCc1ccco1
COc1ccc(-c2csc(N(C)C(=O)COc3cccc4ccccc34)n2)cc1 COc1ccc(cc1)[*:1] CN(C(=O)COc1cccc2ccccc12)c1nc(cs1)[*:1]
COCCn1cnc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)nc3)cc2c1=O COC[*:1] NS(=O)(=O)c1ccc(cn1)NC(=O)c1ccc2ncn(C[*:1])c(=O)c2c1
COCCn1cnc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)nc3)cc2c1=O COCC[*:1] NS(=O)(=O)c1ccc(cn1)NC(=O)c1ccc2ncn(c(=O)c2c1)[*:1]
COCCn1cnc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)nc3)cc2c1=O NS(=O)(=O)[*:1] COCCn1cnc2ccc(cc2c1=O)C(=O)Nc1ccc(nc1)[*:1]
Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)C(C)(C)[NH3+])C2)CC1 Cc1ccccc1[*:1] CC(C)([NH3+])C(=O)N1CCC[C@@H](C1)N1CCN(CC1)[*:1]
O=C([O-])CN(Cc1nnc(-c2cccs2)o1)CC(F)(F)F FC(F)(F)C[*:1] O=C([O-])CN(Cc1nnc(o1)-c1cccs1)[*:1]
O=C([O-])CN(Cc1nnc(-c2cccs2)o1)CC(F)(F)F O=C([O-])C[*:1] FC(F)(F)CN(Cc1nnc(o1)-c1cccs1)[*:1]
O=C([O-])CN(Cc1nnc(-c2cccs2)o1)CC(F)(F)F O=C([O-])[*:1] FC(F)(F)CN(Cc1nnc(o1)-c1cccs1)C[*:1]
O=C([O-])CN(Cc1nnc(-c2cccs2)o1)CC(F)(F)F c1csc(c1)[*:1] O=C([O-])CN(Cc1nnc(o1)[*:1])CC(F)(F)F
O=C([O-])CN(Cc1nnc(-c2cccs2)o1)CC(F)(F)F FC(F)(F)[*:1] O=C([O-])CN(Cc1nnc(o1)-c1cccs1)C[*:1]
Cc1nn(CN(Cc2cccs2)CC(F)(F)F)c(C)c1[N+](=O)[O-] c1csc(c1)C[*:1] Cc1nn(CN(CC(F)(F)F)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CN(Cc2cccs2)CC(F)(F)F)c(C)c1[N+](=O)[O-] FC(F)(F)C[*:1] Cc1nn(CN(Cc2cccs2)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CN(Cc2cccs2)CC(F)(F)F)c(C)c1[N+](=O)[O-] FC(F)(F)[*:1] Cc1nn(CN(Cc2cccs2)C[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CN(Cc2cccs2)CC(F)(F)F)c(C)c1[N+](=O)[O-] c1csc(c1)[*:1] Cc1nn(CN(CC(F)(F)F)C[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CN(Cc2cccs2)CC(F)(F)F)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CN(Cc2cccs2)CC(F)(F)F)c(C)c1[*:1]
CCOC[C@H]1CCN(C(=O)Nc2c(C)cccc2C(C)C)C1 CCOC[*:1] Cc1cccc(c1NC(=O)N1CC[C@@H](C1)[*:1])C(C)C
CCOC[C@H]1CCN(C(=O)Nc2c(C)cccc2C(C)C)C1 CCO[*:1] Cc1cccc(c1NC(=O)N1CC[C@@H](C1)C[*:1])C(C)C
CCOC[C@H]1CCN(C(=O)Nc2c(C)cccc2C(C)C)C1 CC(C)[*:1] CCOC[C@H]1CCN(C1)C(=O)Nc1c(C)cccc1[*:1]
CCO[C@H]1C[C@H]([NH2+]Cc2c(C)noc2C)[C@]1(C)CC CCO[*:1] CC[C@@]1(C)[C@H](C[C@@H]1[*:1])[NH2+]Cc1c(C)noc1C
COc1cccc(-c2nc(CN3CC[NH+](CC(=O)Nc4cccc(F)c4)CC3)cs2)c1 O=C(Nc1cccc(F)c1)[*:1] COc1cccc(c1)-c1nc(cs1)CN1CC[NH+](CC1)C[*:1]
COc1cccc(-c2nc(CN3CC[NH+](CC(=O)Nc4cccc(F)c4)CC3)cs2)c1 COc1cccc(c1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1csc(n1)[*:1])Nc1cccc(F)c1
COc1cccc(-c2nc(CN3CC[NH+](CC(=O)Nc4cccc(F)c4)CC3)cs2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)-c1nc(cs1)CN1CC[NH+](CC1)CC(=O)N[*:1]
COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O)CCO2 CS(=O)(=O)N[*:1] COc1ccc2OCC[C@@H]([NH2+]C[C@H]3CCC[C@H]3[*:1])c2c1
CCS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)cc1 c1coc(c1)[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)N(C1CC1)[C@H](C)[*:1]
CCS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)cc1 C1CC1[*:1] CCS(=O)(=O)c1ccc(cc1)C(=O)N([C@H](C)c1ccco1)[*:1]
CCS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)cc1 CCS(=O)(=O)[*:1] C[C@H](c1ccco1)N(C(=O)c1ccc(cc1)[*:1])C1CC1
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2occc2-c2ccccc2)C1 CCNS(=O)(=O)[*:1] O=C(c1occc1-c1ccccc1)N1CC[C@@H](C1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2occc2-c2ccccc2)C1 c1ccc(cc1)[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)c1occc1[*:1]
CC(=O)c1cccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)c1 C1CC1[*:1] CC(=O)c1cccc(c1)S(=O)(=O)N(C[C@@H]1CCOC1)[*:1]
CC(=O)c1cccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)c1 CC(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N(C[C@@H]1CCOC1)C1CC1
C[C@@H]1CCN(c2cc(-n3cccn3)nc(N)n2)[C@H](C)C1 c1cnn(c1)[*:1] C[C@@H]1CCN(c2cc(nc(N)n2)[*:1])[C@H](C)C1
COCc1ccccc1C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 COC[*:1] Cc1csc(n1)[C@@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
COCc1ccccc1C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 Cc1csc(n1)[*:1] COCc1ccccc1C(=O)N1CCC[C@@H](C1)[*:1]
CCCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br CCC[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)c1ccc(O[*:1])c(Br)c1
CCCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br NS(=O)(=O)[*:1] CCCOc1ccc(cc1Br)C(=O)NCc1ccc(cc1)[*:1]
CCCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br CCCO[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)c1ccc(c(Br)c1)[*:1]
COC(=O)CCC1CC[NH+](Cc2ccc(OC)cc2)CC1 COC(=O)CC[*:1] COc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
COC(=O)CCC1CC[NH+](Cc2ccc(OC)cc2)CC1 COC(=O)[*:1] COc1ccc(cc1)C[NH+]1CCC(CC1)CC[*:1]
COC(=O)CCC1CC[NH+](Cc2ccc(OC)cc2)CC1 COC(=O)C[*:1] COc1ccc(cc1)C[NH+]1CCC(CC1)C[*:1]
C[C@@H](CO)NC(=O)NCc1cccc(Cn2ccnc2)c1 C[C@@H](CO)[*:1] O=C(NCc1cccc(c1)Cn1ccnc1)N[*:1]
C[C@@H](CO)NC(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)[*:1] C[C@@H](CO)NC(=O)NCc1cccc(c1)C[*:1]
C[C@@H](CO)NC(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)C[*:1] C[C@@H](CO)NC(=O)NCc1cccc(c1)[*:1]
Cc1cscc1C[NH2+]Cc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1cscc1C[NH2+]Cc1ccc(cc1)[*:1]
Cc1cscc1C[NH2+]Cc1ccc(C(C)(C)C)cc1 Cc1cscc1[*:1] CC(C)(C)c1ccc(cc1)C[NH2+]C[*:1]
N#Cc1ccc(NC2(CO)CC2)c([N+](=O)[O-])c1 OCC1(CC1)[*:1] N#Cc1ccc(N[*:1])c(c1)[N+](=O)[O-]
N#Cc1ccc(NC2(CO)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1ccc(NC2(CO)CC2)c(c1)[*:1]
N#CCN(Cc1ccc(Cl)nc1)c1ccccc1 N#CC[*:1] Clc1ccc(cn1)CN(c1ccccc1)[*:1]
N#CCN(Cc1ccc(Cl)nc1)c1ccccc1 c1ccc(cc1)[*:1] N#CCN(Cc1ccc(Cl)nc1)[*:1]
C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)[C@@H]1C FC(F)(F)c1cccc(c1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])[C@@H]1C
C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)[C@@H]1C FC(F)(F)[*:1] C[C@@H]1CCC[C@@H](NC(=O)C2CCN(CC2)S(=O)(=O)c2cccc(c2)[*:1])[C@@H]1C
[NH3+]C1CCN(CC(=O)Nc2cc(Cl)ccc2C(=O)[O-])CC1 [NH3+]C1CCN(CC1)[*:1] O=C(C[*:1])Nc1cc(Cl)ccc1C(=O)[O-]
[NH3+]C1CCN(CC(=O)Nc2cc(Cl)ccc2C(=O)[O-])CC1 O=C([O-])[*:1] [NH3+]C1CCN(CC1)CC(=O)Nc1cc(Cl)ccc1[*:1]
CC[C@@](C)(NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1nccs1 c1csc(n1)[*:1] CC[C@@](C)(NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)N1CCC(C(N)=S)CC1 NC(=S)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCC(CC1)[*:1]
CCc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nccs2)cc1 CCc1ccc(cc1)[*:1] Cc1nc2ccccn2c1C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@H]1[*:1]
CCc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nccs2)cc1 c1csc(n1)[*:1] CCc1ccc(cc1)[C@H]1C(C(=O)c2c(C)nc3ccccn23)=C([O-])C(=O)N1[*:1]
CCc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nccs2)cc1 Cc1nc2ccccn2c1[*:1] CCc1ccc(cc1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nccs1
O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(SC(F)F)cc1 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)[*:1])Nc1ccc(cc1)SC(F)F
O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(SC(F)F)cc1 FC(F)[*:1] O=C(Cn1nnc(n1)-c1ccccc1)Nc1ccc(cc1)S[*:1]
O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(SC(F)F)cc1 FC(F)S[*:1] O=C(Cn1nnc(n1)-c1ccccc1)Nc1ccc(cc1)[*:1]
COC(=O)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)C1=Cc2ccccc2OC1)[*:1]
COC(=O)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)C1=Cc2ccccc2OC1)[*:1]
CNC(=O)c1ccc(OC(C)(C)C)cc1 CNC(=O)[*:1] CC(C)(C)Oc1ccc(cc1)[*:1]
CNC(=O)c1ccc(OC(C)(C)C)cc1 CC(C)(C)O[*:1] CNC(=O)c1ccc(cc1)[*:1]
CNC(=O)c1ccc(OC(C)(C)C)cc1 CC(C)(C)[*:1] CNC(=O)c1ccc(cc1)O[*:1]
C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)C(C)(C)C CC(C)(C)[*:1] C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)[*:1]
C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)C(C)(C)C FC(F)(F)[*:1] C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1[*:1])C(C)(C)C
Cn1cnnc1CCN[C@@H]1CCc2cc(N)ccc21 Cn1cnnc1[*:1] Nc1ccc2c(c1)CC[C@H]2NCC[*:1]
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C=C2CCSCC2)c1C CN(C)S(=O)(=O)[*:1] Cc1cc(cc(NC(=O)C=C2CCSCC2)c1C)[*:1]
C[C@H](Cc1nc2ccccc2s1)Sc1nnc(N2CCCC2)s1 C1CCN(C1)[*:1] C[C@H](Cc1nc2ccccc2s1)Sc1nnc(s1)[*:1]
COc1ccc(/C=C/C(=O)N(C(C)C)C2CCOCC2)cc1F C1CC(CCO1)[*:1] COc1ccc(/C=C/C(=O)N(C(C)C)[*:1])cc1F
COc1ccc(/C=C/C(=O)N(C(C)C)C2CCOCC2)cc1F CC(C)[*:1] COc1ccc(/C=C/C(=O)N(C2CCOCC2)[*:1])cc1F
Cc1ccccc1Cn1cc(NS(=O)(=O)c2ccc(Br)cc2)cn1 Brc1ccc(cc1)[*:1] Cc1ccccc1Cn1cc(cn1)NS(=O)(=O)[*:1]
Cc1ccccc1Cn1cc(NS(=O)(=O)c2ccc(Br)cc2)cn1 Cc1ccccc1[*:1] O=S(=O)(Nc1cnn(c1)C[*:1])c1ccc(Br)cc1
Cc1ccccc1Cn1cc(NS(=O)(=O)c2ccc(Br)cc2)cn1 Cc1ccccc1C[*:1] O=S(=O)(Nc1cnn(c1)[*:1])c1ccc(Br)cc1
COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1I COC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Cl)cc1I
Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] Cc1nn(c(C)c1NC(=O)[C@H]1CCCN(C1)[*:1])C(C)C
Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1CCCN(c2ncccn2)C1 CC(C)[*:1] Cc1nn(c(C)c1NC(=O)[C@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1ccc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1Cl C1CN(CCO1)C[*:1] Cc1ccc(cc1Cl)C(=O)N(C)C[C@@H](O)[*:1]
Cc1ccc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1Cl C1CN(CCO1)[*:1] Cc1ccc(cc1Cl)C(=O)N(C)C[C@@H](O)C[*:1]
CNc1cc[nH+]c(CN(CC2CC2)C(C)C)c1 C1CC1[*:1] CNc1cc[nH+]c(c1)CN(C[*:1])C(C)C
CNc1cc[nH+]c(CN(CC2CC2)C(C)C)c1 C1CC1C[*:1] CNc1cc[nH+]c(c1)CN(C(C)C)[*:1]
CNc1cc[nH+]c(CN(CC2CC2)C(C)C)c1 CC(C)[*:1] CNc1cc[nH+]c(c1)CN(CC1CC1)[*:1]
COC[C@](C)(NC(=O)c1ccc(S(C)(=O)=O)o1)c1ccccc1 COC[*:1] C[C@](NC(=O)c1ccc(o1)S(C)(=O)=O)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)c1ccc(S(C)(=O)=O)o1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)c1ccc(o1)S(C)(=O)=O)[*:1]
COC[C@](C)(NC(=O)c1ccc(S(C)(=O)=O)o1)c1ccccc1 CS(=O)(=O)[*:1] COC[C@](C)(NC(=O)c1ccc(o1)[*:1])c1ccccc1
COc1ccccc1N1CCN(C(=O)NCC(C)(C)C[C@@H](C)O)CC1 COc1ccccc1[*:1] C[C@@H](O)CC(C)(C)CNC(=O)N1CCN(CC1)[*:1]
Cc1cccn2c(C)c(C(=O)C3=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc(O)cc3)nc12 Cc1cccn2c(C)c(nc12)[*:1] C[NH+](C)CCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(O)cc1
Cc1cccn2c(C)c(C(=O)C3=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc(O)cc3)nc12 Oc1ccc(cc1)[*:1] Cc1cccn2c(C)c(nc12)C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]1[*:1]
CC[C@](C)(C(=O)[O-])n1nnnc1-c1ccco1 c1coc(c1)[*:1] CC[C@](C)(C(=O)[O-])n1nnnc1[*:1]
CC[C@](C)(C(=O)[O-])n1nnnc1-c1ccco1 O=C([O-])[*:1] CC[C@](C)(n1nnnc1-c1ccco1)[*:1]
COc1cccc(N2C(=O)CN(C(=O)c3ccc(N4CCCC4=O)cc3)C[C@@H]2C)c1 O=C1CCCN1[*:1] COc1cccc(c1)N1C(=O)CN(C[C@@H]1C)C(=O)c1ccc(cc1)[*:1]
COc1cccc(N2C(=O)CN(C(=O)c3ccc(N4CCCC4=O)cc3)C[C@@H]2C)c1 COc1cccc(c1)[*:1] C[C@H]1CN(CC(=O)N1[*:1])C(=O)c1ccc(cc1)N1CCCC1=O
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1 C1CC1C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1 C1CC1[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)S(=O)(=O)NC[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1 O=S(=O)(NCC1CC1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)[*:1]
CCn1cc(NC(=O)C(=O)NCCc2cccc(O)c2)ccc1=O Oc1cccc(c1)[*:1] CCn1cc(ccc1=O)NC(=O)C(=O)NCC[*:1]
CCn1cc(NC(=O)C(=O)NCCc2cccc(O)c2)ccc1=O Oc1cccc(c1)C[*:1] CCn1cc(ccc1=O)NC(=O)C(=O)NC[*:1]
CC(C)n1nc(C(=O)NC2(C(N)=O)CCCCC2)c2ccccc2c1=O NC(=O)[*:1] CC(C)n1nc(C(=O)NC2(CCCCC2)[*:1])c2ccccc2c1=O
CC(C)n1nc(C(=O)NC2(C(N)=O)CCCCC2)c2ccccc2c1=O CC(C)[*:1] NC(=O)C1(CCCCC1)NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)NCc1cccs1 c1csc(c1)C[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)N[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)NCc1cccs1 c1csc(c1)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)NC[*:1]
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])c1cccc(c1)[*:1] CC(=O)Nc1cc(cc(c1)C(=O)NCC[*:1])NC(C)=O
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)NCCc1cccc(c1)[N+](=O)[O-]
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CC(=O)Nc1cc(cc(c1)C(=O)NCCc1cccc(c1)[*:1])NC(C)=O
Cc1nc(-c2cccc(CNc3cc(C)[nH+]c4ccccc34)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cc1cc(NCc2cccc(c2)[*:1])c2ccccc2[nH+]1
COc1c(C)cc(C(=O)[C@@H]2CCCN(c3ccnc(N)n3)C2)cc1C Nc1nccc(n1)[*:1] COc1c(C)cc(cc1C)C(=O)[C@@H]1CCCN(C1)[*:1]
O=C(CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1ccc(F)c(F)c1F c1csc(c1)[*:1] O=C(CNC(=O)[C@@H]1CCCN1C(=O)[*:1])Nc1ccc(F)c(F)c1F
O=C(CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1ccc(F)c(F)c1F Fc1ccc(c(F)c1F)[*:1] O=C(CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)N[*:1]
O=C(c1ccc(OC(F)F)cc1)N1CCN(C[C@@H]2CCCO2)CC1 FC(F)O[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)C[C@@H]1CCCO1
O=C(c1ccc(OC(F)F)cc1)N1CCN(C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] O=C(c1ccc(cc1)OC(F)F)N1CCN(CC1)[*:1]
O=C(c1ccc(OC(F)F)cc1)N1CCN(C[C@@H]2CCCO2)CC1 FC(F)[*:1] O=C(c1ccc(cc1)O[*:1])N1CCN(CC1)C[C@@H]1CCCO1
O=C(CCn1c(=O)oc2ccccc21)N[C@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCn1c(=O)oc2ccccc21)N[C@H]1CCC[C@@H]1[*:1]
O=C(CCn1c(=O)oc2ccccc21)N[C@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1c(=O)oc2ccccc21)N[C@H]1CCC[C@H]1C[*:1]
CCOC[C@H]1CCCN(C(=O)/C=C/c2cc3ccccc3o2)C1 CCO[*:1] O=C(/C=C/c1cc2ccccc2o1)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)/C=C/c2cc3ccccc3o2)C1 CCOC[*:1] O=C(/C=C/c1cc2ccccc2o1)N1CCC[C@@H](C1)[*:1]
O=C(C1CCC(Cn2cnnn2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1nnnn1[*:1] O=C(C1CCC(CC1)C[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(C1CCC(Cn2cnnn2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] O=C(C1CCC(CC1)Cn1cnnn1)N1CCN(CC1)[*:1]
O=C(C1CCC(Cn2cnnn2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(C1CCC(CC1)Cn1cnnn1)N1CCN(CC1)C[*:1]
O=C(C1CCC(Cn2cnnn2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1nnnn1C[*:1] O=C(C1CCC(CC1)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
CCOc1ccc(Br)cc1[C@@H](O)[C@]1(C)CCCO1 CCO[*:1] C[C@]1(CCCO1)[C@H](O)c1cc(Br)ccc1[*:1]
C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc1 C[C@H]1COCCN1[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc1 C[C@@H](C#N)[*:1] C[C@H]1COCCN1c1ccc(cc1)NC(=O)C(=O)NC[*:1]
C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc1 C[C@@H](C#N)C[*:1] C[C@H]1COCCN1c1ccc(cc1)NC(=O)C(=O)N[*:1]
COc1ccc(NC(=O)c2ccccc2)c2nc3ccccc3nc12 c1ccc(cc1)[*:1] COc1ccc(NC(=O)[*:1])c2nc3ccccc3nc12
CC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] CC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(cc1)OC[*:1]
CC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] CC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(cc1)O[*:1]
CC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 CC[C@@H](C)[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccc(cc1)OCC(F)(F)F
CCOc1ccc2nc(NC(=O)CNC(=O)[C@@H](C)CC)sc2c1 CC[C@H](C)C(=O)N[*:1] CCOc1ccc2nc(NC(=O)C[*:1])sc2c1
CCOc1ccc2nc(NC(=O)CNC(=O)[C@@H](C)CC)sc2c1 CCO[*:1] CC[C@H](C)C(=O)NCC(=O)Nc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(NC(=O)CNC(=O)[C@@H](C)CC)sc2c1 CC[C@H](C)[*:1] CCOc1ccc2nc(NC(=O)CNC(=O)[*:1])sc2c1
Cc1ccc2nc(SCC(=O)N[C@H]3Nc4ccc([N+](=O)[O-])cc4S3)[nH]c2c1 O=[N+]([O-])[*:1] Cc1ccc2nc([nH]c2c1)SCC(=O)N[C@H]1Nc2ccc(cc2S1)[*:1]
COc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)N(C)C)CC2)cc1F CN(C)C(=O)[*:1] COc1ccc(cc1F)[C@@H](C)NC(=O)N1CCC(CC1)[*:1]
CC(=O)N[C@H]1C[C@@H](COCc2ccccc2)O[C@@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] CC(=O)N[C@H]1C[C@@H](COCc2ccccc2)O[C@H](C1)C[*:1]
CC(=O)N[C@H]1C[C@@H](COCc2ccccc2)O[C@@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CC(=O)N[C@H]1C[C@@H](COCc2ccccc2)O[C@@H](C1)[*:1]
CC(=O)N[C@H]1C[C@@H](COCc2ccccc2)O[C@@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] CC(=O)N[C@H]1C[C@@H](COC[*:1])O[C@@H](Cc2ccccc2)C1
CC(=O)N[C@H]1C[C@@H](COCc2ccccc2)O[C@@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CC(=O)N[C@H]1C[C@@H](CO[*:1])O[C@@H](Cc2ccccc2)C1
CC(=O)N[C@H]1C[C@@H](COCc2ccccc2)O[C@@H](Cc2ccccc2)C1 CC(=O)N[*:1] c1ccc(cc1)COC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)O1)[*:1]
CC(=O)N[C@H]1C[C@@H](COCc2ccccc2)O[C@@H](Cc2ccccc2)C1 c1ccc(cc1)CO[*:1] CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@@H](C1)C[*:1]
CCC(CC)(C(=O)C1CCCC1)[NH+](C)C C1CCC(C1)[*:1] CCC(CC)(C(=O)[*:1])[NH+](C)C
O=C(Nc1cccnc1)[C@H]1CCCN(c2ncccn2)C1 c1cncc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ncccn1
O=C(Nc1cccnc1)[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(Nc1cccnc1)[C@H]1CCCN(C1)[*:1]
COCCNC(=O)NCCNC(=O)c1ccc(Cl)cc1 COC[*:1] O=C(NCCNC(=O)c1ccc(Cl)cc1)NC[*:1]
COCCNC(=O)NCCNC(=O)c1ccc(Cl)cc1 COCC[*:1] O=C(NCCNC(=O)c1ccc(Cl)cc1)N[*:1]
CC(C)Cc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])cc1 CC(C)[*:1] C[C@@H]([NH3+])[C@H]1C[C@H]1c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])cc1 CC(C)C[*:1] C[C@@H]([NH3+])[C@H]1C[C@H]1c1ccc(cc1)[*:1]
N#Cc1ccc(/C=C/C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)cc1 O[C@H]1CCCC[C@H]1[*:1] N#Cc1ccc(/C=C/C[NH2+]CCC[*:1])cc1
C[NH+](C)[C@@H]1CC[C@H](NC(=O)CSc2nnnn2C2CCCC2)C1 C1CCC(C1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)CSc1nnnn1[*:1]
CC(C)[C@@H](C)SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] CC(C)[*:1] C[C@@H](SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[*:1]
CC(C)[C@@H](C)SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)[C@@H](C)SCC(=O)Nc1ccc(Cl)cc1[*:1]
CN(Cc1ccc(C(N)=O)cc1)C(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] CN(Cc1ccc(cc1)C(N)=O)C(=O)[*:1]
CN(Cc1ccc(C(N)=O)cc1)C(=O)Cc1ccccc1 NC(=O)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)Cc1ccccc1
CN(Cc1ccc(C(N)=O)cc1)C(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccc(cc1)C(N)=O)C(=O)C[*:1]
COCC(=O)N1CCCc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc21 Cc1ccc(cc1C)[*:1] COCC(=O)N1CCCc2ccc(cc21)NC(=O)N[*:1]
COCC(=O)N1CCCc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc21 COC[*:1] Cc1ccc(cc1C)NC(=O)Nc1ccc2CCCN(C(=O)[*:1])c2c1
CCOC(=O)/C(C#N)=C\c1ccc(N)cc1 CCOC(=O)[*:1] N#CC(=Cc1ccc(N)cc1)[*:1]
O=C(c1ccc2c(c1)sc1nc(-c3ccccc3)cn12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1ccc(cc1)[*:1] O=C(c1ccc2c(c1)sc1nc(cn12)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(c1ccc2c(c1)sc1nc(-c3ccccc3)cn12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(c1ccc2c(c1)sc1nc(cn12)-c1ccccc1)N1CCN(CC1)C[*:1]
O=C(c1ccc2c(c1)sc1nc(-c3ccccc3)cn12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] O=C(c1ccc2c(c1)sc1nc(cn12)-c1ccccc1)N1CCN(CC1)[*:1]
COc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])NC(=O)c1ccc(=O)[nH]c1
COc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1OC(F)F O=c1ccc(c[nH]1)[*:1] COc1ccc(cc1OC(F)F)NC(=O)[*:1]
COc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])NC(=O)c1ccc(=O)[nH]c1
CCOc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)NCc1ccc2c(c1)cc(C)n2C
CCOc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)NCc1ccc2c(c1)cc(C)n2C
CC[C@@H](Cc1ccc(C)cc1)NC(=O)N(C)[C@H](CC)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](Cc1ccc(C)cc1)NC(=O)N(C)[C@H](CC)[*:1]
CC[C@@H](Cc1ccc(C)cc1)NC(=O)N(C)[C@H](CC)c1ccncc1 Cc1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)N(C)[C@H](CC)c1ccncc1
CC[C@@H](Cc1ccc(C)cc1)NC(=O)N(C)[C@H](CC)c1ccncc1 Cc1ccc(cc1)C[*:1] CC[C@@H](NC(=O)N(C)[C@H](CC)c1ccncc1)[*:1]
Cc1ccc2nc(C)cc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)c2c1 Fc1ccc(cc1)[*:1] Cc1ccc2nc(C)cc(C(=O)N3CC[C@H]3[*:1])c2c1
C[C@@H](CCn1cncn1)[NH2+]CCc1cc(Cl)ccc1Br c1ncn(n1)[*:1] C[C@@H](CC[*:1])[NH2+]CCc1cc(Cl)ccc1Br
C[C@@H](CCn1cncn1)[NH2+]CCc1cc(Cl)ccc1Br c1ncn(C[*:1])n1 C[C@@H](C[*:1])[NH2+]CCc1cc(Cl)ccc1Br
O=C(NCCc1csc(C2CCN(C(=O)C3CCCC3)CC2)n1)C1CC1 C1CC1[*:1] O=C(C1CCCC1)N1CCC(CC1)c1nc(cs1)CCNC(=O)[*:1]
O=C(NCCc1csc(C2CCN(C(=O)C3CCCC3)CC2)n1)C1CC1 C1CCC(C1)[*:1] O=C(NCCc1csc(n1)C1CCN(CC1)C(=O)[*:1])C1CC1
O=C(NCCc1csc(C2CCN(C(=O)C3CCCC3)CC2)n1)C1CC1 O=C(NC[*:1])C1CC1 O=C(C1CCCC1)N1CCC(CC1)c1nc(cs1)C[*:1]
O=C(NCCc1csc(C2CCN(C(=O)C3CCCC3)CC2)n1)C1CC1 O=C(NCC[*:1])C1CC1 O=C(C1CCCC1)N1CCC(CC1)c1nc(cs1)[*:1]
O=C(NCCc1csc(C2CCN(C(=O)C3CCCC3)CC2)n1)C1CC1 O=C(N[*:1])C1CC1 O=C(C1CCCC1)N1CCC(CC1)c1nc(cs1)CC[*:1]
Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2CCCn2cc[nH+]c2)o1 Cc1ccc(o1)[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(CCCn2cc[nH+]c2)[C@H]1[*:1]
Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2CCCn2cc[nH+]c2)o1 Cc1nc(C)c(s1)C(=O)[*:1] Cc1ccc(o1)[C@H]1C(=C([O-])C(=O)N1CCCn1cc[nH+]c1)[*:1]
Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2CCCn2cc[nH+]c2)o1 Cc1nc(C)c(s1)[*:1] Cc1ccc(o1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CCCn1cc[nH+]c1
O=S(=O)(c1ccc(Br)cc1Cl)N(CCO)CCO OCC[*:1] O=S(=O)(c1ccc(Br)cc1Cl)N(CCO)[*:1]
CNc1ccc(C(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)cc1 c1cn(cn1)[*:1] CNc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
CNc1ccc(C(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)cc1 CNc1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1ccc(nn1)-n1ccnc1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)COc2cccc(F)c2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)COc2cccc(F)c2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)COc2cccc(F)c2)c1C Fc1cccc(c1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)CO[*:1])c1C
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1cc(Br)ccc1F Fc1ccc(Br)cc1[*:1] Cc1ccc(cc1NC(=O)C=C[*:1])S(=O)(=O)N(C)C
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1cc(Br)ccc1F CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)/C=C/c1cc(Br)ccc1F)[*:1]
CCc1nn(C)cc1CNC(=O)NCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CCc1nn(C)cc1CNC(=O)NC[*:1]
CC(C)[C@@H](C#N)OC(=O)c1cc2c(s1)CCCC2 CC(C)[*:1] N#C[C@@H](OC(=O)c1cc2CCCCc2s1)[*:1]
N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=O)C[C@@H]1c1ccc(F)cc1 O=[N+]([O-])c1ccccc1[*:1] N#CC1=C(NC(=O)C[C@@H]1c1ccc(F)cc1)SCC(=O)N[*:1]
N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=O)C[C@@H]1c1ccc(F)cc1 O=[N+]([O-])[*:1] N#CC1=C(NC(=O)C[C@@H]1c1ccc(F)cc1)SCC(=O)Nc1ccccc1[*:1]
N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=O)C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CC1=C(NC(=O)C[C@H]1[*:1])SCC(=O)Nc1ccccc1[N+](=O)[O-]
C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCO)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCO)[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCO)C1CCCCC1 OCC[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N(C1CCCCC1)[*:1]
O=C(NCc1ccncc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cccs1 c1cc(ccn1)[*:1] O=C(NC[C@@H]1OCCN1S(=O)(=O)c1cccs1)C(=O)NC[*:1]
O=C(NCc1ccncc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cccs1 c1cc(ccn1)C[*:1] O=C(NC[C@@H]1OCCN1S(=O)(=O)c1cccs1)C(=O)N[*:1]
O=C(NCc1ccncc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(NCc1ccncc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)C[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 Clc1cccc(c1)O[*:1] C[C@H](C(=O)N1CCN(CC1)C[C@H]1CCCO1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)C[C@H]1CCCO1
COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C(=O)N[*:1])c2c(C)nn(-c3cccc(Cl)c3C)c2n1
COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 Cc1c(Cl)cccc1[*:1] COc1ccc(cc1)NC(=O)c1cc(C)nc2c1c(C)nn2[*:1]
COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[*:1]
COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1 C1CO[C@@H](C1)[*:1] COC(=O)CCN(C[*:1])C(=O)c1cccc(F)c1
COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1 C1CO[C@@H](C1)C[*:1] COC(=O)CCN(C(=O)c1cccc(F)c1)[*:1]
COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1 COC(=O)[*:1] O=C(c1cccc(F)c1)N(CC[*:1])C[C@@H]1CCCO1
COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1 COC(=O)C[*:1] O=C(c1cccc(F)c1)N(C[C@@H]1CCCO1)C[*:1]
COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(F)c1 COC(=O)CC[*:1] O=C(c1cccc(F)c1)N(C[C@@H]1CCCO1)[*:1]
Cc1nc(CC(=O)N[C@@H](C)c2cccc(C#N)c2)cs1 Cc1nc(cs1)[*:1] C[C@H](NC(=O)C[*:1])c1cccc(C#N)c1
O=C(c1cccnc1)N1CCN(S(=O)(=O)CC2CCC2)CC1 C1CC(C1)C[*:1] O=C(c1cccnc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1cccnc1)N1CCN(S(=O)(=O)CC2CCC2)CC1 C1CC(C1)[*:1] O=C(c1cccnc1)N1CCN(CC1)S(=O)(=O)C[*:1]
O=C(c1cccnc1)N1CCN(S(=O)(=O)CC2CCC2)CC1 c1cncc(c1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)CC1CCC1)[*:1]
CCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 CCc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccco1
CCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 c1coc(c1)[*:1] CCc1ccccc1NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 Fc1cccc(c1)C[*:1] C[C@H](C[*:1])C(=O)N1CCC[C@@H](C1)NS(C)(=O)=O
C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 Fc1cccc(c1)[*:1] C[C@H](CC[*:1])C(=O)N1CCC[C@@H](C1)NS(C)(=O)=O
C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 CS(=O)(=O)N[*:1] C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](C1)[*:1]
CC(C)Cn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1N1CCOCC1 C1CN(CCO1)[*:1] CC(C)Cn1c(nnc1[*:1])SCC(=O)c1ccc2CCCCc2c1
CC(C)Cn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1N1CCOCC1 CC(C)[*:1] O=C(CSc1nnc(N2CCOCC2)n1C[*:1])c1ccc2CCCCc2c1
CC(C)Cn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1N1CCOCC1 CC(C)C[*:1] O=C(CSc1nnc(N2CCOCC2)n1[*:1])c1ccc2CCCCc2c1
CCc1cc(NCCNC(=O)c2ccccc2Cl)n2nccc2n1 Clc1ccccc1[*:1] CCc1cc(NCCNC(=O)[*:1])n2nccc2n1
COc1cccc(SCC(=O)N(Cc2cccc(F)c2)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)SCC(=O)N(Cc1cccc(F)c1)[*:1]
COc1cccc(SCC(=O)N(Cc2cccc(F)c2)C2CC2)c1 Fc1cccc(c1)C[*:1] COc1cccc(c1)SCC(=O)N(C1CC1)[*:1]
COc1cccc(SCC(=O)N(Cc2cccc(F)c2)C2CC2)c1 COc1cccc(c1)[*:1] O=C(CS[*:1])N(Cc1cccc(F)c1)C1CC1
COc1cccc(SCC(=O)N(Cc2cccc(F)c2)C2CC2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)SCC(=O)N(C[*:1])C1CC1
O=C(Nc1n[nH]c2c(Cl)cccc12)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1n[nH]c2c(Cl)cccc12)c1ncccc1[*:1]
CCc1nc(C2(NC(=O)CS(=O)(=O)NC3CCC(C)CC3)CCCC2)no1 CC1CCC(CC1)[*:1] CCc1nc(no1)C1(CCCC1)NC(=O)CS(=O)(=O)N[*:1]
CCc1nc(C2(NC(=O)CS(=O)(=O)NC3CCC(C)CC3)CCCC2)no1 CCc1nc(no1)[*:1] CC1CCC(CC1)NS(=O)(=O)CC(=O)NC1(CCCC1)[*:1]
CCCCN(C(=O)[C@@H](C)N1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] C[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1])N1CCOC(C)(C)C1
CCCCN(C(=O)[C@@H](C)N1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] C[C@H](C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1)N1CCOC(C)(C)C1
CCCCN(C(=O)[C@@H](C)N1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCCN(C(=O)[C@@H](C)N1CCOC(C)(C)C1)[*:1]
CCCCN(C(=O)[C@@H](C)N1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 CC1(C)CN(CCO1)[*:1] CCCCN(C(=O)[C@@H](C)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)NCc1ccco1 c1coc(c1)[*:1] O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)NC[*:1]
O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)NCc1ccco1 c1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1C(=O)N[*:1])NCc1ccco1
O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)NCc1ccco1 c1coc(c1)C[*:1] O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)N[*:1]
O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)NCc1ccco1 O=C(Nc1ccccc1)[*:1] O=C(COc1ccc(Cl)cc1[*:1])NCc1ccco1
O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=C(Nc1ccccc1)c1cc(Cl)ccc1OC[*:1]
Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(F)c1)Cc1ccco1 c1coc(c1)[*:1] Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(F)c1)C[*:1]
Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(F)c1)Cc1ccco1 Fc1cccc(c1)C[*:1] Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccco1)[*:1]
Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(F)c1)Cc1ccco1 c1coc(c1)C[*:1] Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(F)c1)[*:1]
Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(F)c1)Cc1ccco1 Cc1cc(Cl)ccc1[*:1] O=C(CO[*:1])N(Cc1cccc(F)c1)Cc1ccco1
Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(F)c1)Cc1ccco1 Fc1cccc(c1)[*:1] Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccco1)C[*:1]
Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(F)c1)Cc1ccco1 Cc1cc(Cl)ccc1O[*:1] O=C(C[*:1])N(Cc1cccc(F)c1)Cc1ccco1
CCOc1ccccc1NC(=O)Nc1nnc(Cc2ccccc2)o1 c1ccc(cc1)C[*:1] CCOc1ccccc1NC(=O)Nc1nnc(o1)[*:1]
CCOc1ccccc1NC(=O)Nc1nnc(Cc2ccccc2)o1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)Nc1nnc(C[*:1])o1
CCOc1ccccc1NC(=O)Nc1nnc(Cc2ccccc2)o1 CCO[*:1] O=C(Nc1nnc(Cc2ccccc2)o1)Nc1ccccc1[*:1]
CC(C)c1ccccc1OCC(=O)Nc1ccc2ccccc2c1 CC(C)[*:1] O=C(COc1ccccc1[*:1])Nc1ccc2ccccc2c1
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CCOCC[C@H]1C c1ccc(cc1)[*:1] Cc1nc(sc1[C@@H](C)NC(=O)N1CCOCC[C@H]1C)[*:1]
Cc1csc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2Cl)n1 Cc1csc(n1)[*:1] C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)[*:1]
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)/N=C([O-])/C=C/C2CC2)c1 O=[N+]([O-])[*:1] O=S(=O)(/N=C([O-])/C=C/C1CC1)c1cc(ccc1Cl)[*:1]
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)/N=C([O-])/C=C/C2CC2)c1 C(=C[*:1])C1CC1 O=[N+]([O-])c1ccc(Cl)c(c1)S(=O)(=O)/N=C(\[O-])[*:1]
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)/N=C([O-])/C=C/C2CC2)c1 C1CC1[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)S(=O)(=O)/N=C(\[O-])C=C[*:1]
Cc1noc(C2CCN(C(=O)CSc3nnnn3C)CC2)n1 Cn1nnnc1S[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)C[*:1]
Cc1noc(C2CCN(C(=O)CSc3nnnn3C)CC2)n1 Cc1noc(n1)[*:1] Cn1nnnc1SCC(=O)N1CCC(CC1)[*:1]
Cc1noc(C2CCN(C(=O)CSc3nnnn3C)CC2)n1 Cn1nnnc1[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)CS[*:1]
CSC[C@@H](C)C(=O)Nc1cc(C)nn1Cc1ccccc1 CSC[*:1] Cc1cc(NC(=O)[C@H](C)[*:1])n(Cc2ccccc2)n1
CSC[C@@H](C)C(=O)Nc1cc(C)nn1Cc1ccccc1 c1ccc(cc1)[*:1] CSC[C@@H](C)C(=O)Nc1cc(C)nn1C[*:1]
CSC[C@@H](C)C(=O)Nc1cc(C)nn1Cc1ccccc1 c1ccc(cc1)C[*:1] CSC[C@@H](C)C(=O)Nc1cc(C)nn1[*:1]
Cc1[nH+]cn(C[C@@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)c1C c1ccc(cc1)[*:1] Cc1[nH+]cn(C[C@@H](C)[NH2+]Cc2cc(on2)[*:1])c1C
CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(COc2ccccc2)n1 CC(C)(C)[*:1] O=C(O[*:1])N1CCOC[C@@H]1c1noc(COc2ccccc2)n1
CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(COc2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(CO[*:1])n1
CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(COc2ccccc2)n1 c1ccc(cc1)OC[*:1] CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(n1)[*:1]
CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(COc2ccccc2)n1 c1ccc(cc1)O[*:1] CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(C[*:1])n1
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC1CCCCC1 c1coc(c1)[*:1] C[C@H](OC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1)C(=O)NC1CCCCC1
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] C[C@H](OC(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1)[*:1]
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](OC(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1)C(=O)N[*:1]
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC1CCCCC1 c1coc(c1)C[*:1] C[C@H](OC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])C(=O)NC1CCCCC1
CO[C@H](C)C(=O)N1C[C@@H](C)NC(=O)c2ccc(F)cc21 CO[C@H](C)[*:1] C[C@@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
CCc1noc([C@H](C)N[C@@H]2CCCn3nc(CC)nc32)n1 CCc1noc(n1)[*:1] CCc1nc2[C@@H](CCCn2n1)N[C@@H](C)[*:1]
COC(C/[NH+]=c1\cc(O)oc2ccccc12)OC COC(C[*:1])OC Oc1cc(=[NH+][*:1])c2ccccc2o1
COC(C/[NH+]=c1\cc(O)oc2ccccc12)OC COC(OC)[*:1] Oc1c/c(=[NH+]\C[*:1])c2ccccc2o1
CCC[NH2+][C@H]1[C@@H](N(C)CC[NH+]2CCCC2)CCC1(C)C CCC[*:1] CN(CC[NH+]1CCCC1)[C@H]1CCC(C)(C)[C@H]1[NH2+][*:1]
COC(=O)C[C@H]1CN(Cc2cc(Br)c(OC)s2)CCO1 COC(=O)C[*:1] COc1sc(cc1Br)CN1CCO[C@H](C1)[*:1]
COC(=O)C[C@H]1CN(Cc2cc(Br)c(OC)s2)CCO1 COC(=O)[*:1] COc1sc(cc1Br)CN1CCO[C@H](C1)C[*:1]
CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 FC(F)O[*:1] CN(Cc1ccc(cc1)[*:1])S(=O)(=O)c1ccc(F)cc1
CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 FC(F)[*:1] CN(Cc1ccc(cc1)O[*:1])S(=O)(=O)c1ccc(F)cc1
CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1ccc(cc1)OC(F)F)S(=O)(=O)[*:1]
CCn1c(C)cc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1C NC(=O)CNC(=O)[*:1] CCn1c(C)cc(C(=O)NCc2ccc(cc2)[*:1])c1C
CCn1c(C)cc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1C NC(=O)[*:1] CCn1c(C)cc(C(=O)NCc2ccc(cc2)C(=O)NC[*:1])c1C
CCn1c(C)cc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1C NC(=O)C[*:1] CCn1c(C)cc(C(=O)NCc2ccc(cc2)C(=O)N[*:1])c1C
[NH3+]C[C@@H]1CC[C@H](C(=O)N2CCC(c3ccccc3)CC2)O1 c1ccc(cc1)[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)N1CCC(CC1)[*:1]
NC(=O)C1CCN(c2nc(Cl)ncc2Br)CC1 NC(=O)[*:1] Clc1ncc(Br)c(n1)N1CCC(CC1)[*:1]
CC(C)Nc1c(N)cccc1Cl CC(C)N[*:1] Nc1cccc(Cl)c1[*:1]
CC(C)Nc1c(N)cccc1Cl CC(C)[*:1] Nc1cccc(Cl)c1N[*:1]
Cc1cccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc32)n1 Cc1cccc(n1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)S(=O)(=O)N1CCCCCC1)N[*:1]
Cc1cccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc32)n1 Cc1cccc(n1)NC(=O)[*:1] O=C1COc2ccc(cc2N1C[*:1])S(=O)(=O)N1CCCCCC1
Cc1cccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc32)n1 O=S(=O)(N1CCCCCC1)[*:1] Cc1cccc(n1)NC(=O)CN1C(=O)COc2ccc(cc21)[*:1]
COc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(NC(=O)COc4ccccc4)nc3N2)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)[C@H]1C[C@H](c2ccccc2)n2nc(nc2N1)NC(=O)C[*:1]
COc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(NC(=O)COc4ccccc4)nc3N2)cc1 c1ccc(cc1)OC[*:1] COc1ccc(cc1)[C@H]1C[C@H](c2ccccc2)n2nc(nc2N1)NC(=O)[*:1]
COc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(NC(=O)COc4ccccc4)nc3N2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C[C@H](n2nc(nc2N1)NC(=O)COc1ccccc1)[*:1]
COc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(NC(=O)COc4ccccc4)nc3N2)cc1 O=C(COc1ccccc1)N[*:1] COc1ccc(cc1)[C@H]1C[C@H](c2ccccc2)n2nc(nc2N1)[*:1]
COc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(NC(=O)COc4ccccc4)nc3N2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C[C@H](c2ccccc2)n2nc(nc2N1)NC(=O)CO[*:1]
COc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(NC(=O)COc4ccccc4)nc3N2)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccccc1)Nc1nc2N[C@H](C[C@H](c3ccccc3)n2n1)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(-c2ccc(Br)cc2)o1 CCS(=O)(=O)[*:1] O=C(Nc1nnc(o1)-c1ccc(Br)cc1)c1ccccc1[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(-c2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] CCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(o1)[*:1]
CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CSc2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CS[*:1])o1
CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CSc2ccc(F)cc2)o1 CS(=O)(=O)[*:1] O=C(CSc1ccc(F)cc1)Nc1nnc(o1)-c1ccccc1[*:1]
CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CSc2ccc(F)cc2)o1 Fc1ccc(cc1)S[*:1] CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)C[*:1])o1
CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CSc2ccc(F)cc2)o1 Fc1ccc(cc1)SC[*:1] CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)[*:1])o1
COC(=O)c1cccc(C(=O)NCC(C)(C)CC(C)C)n1 CC(C)CC(C)(C)[*:1] COC(=O)c1cccc(n1)C(=O)NC[*:1]
COC(=O)c1cccc(C(=O)NCC(C)(C)CC(C)C)n1 COC(=O)[*:1] CC(C)CC(C)(C)CNC(=O)c1cccc(n1)[*:1]
COC(=O)c1cccc(C(=O)NCC(C)(C)CC(C)C)n1 CC(C)[*:1] COC(=O)c1cccc(n1)C(=O)NCC(C)(C)C[*:1]
COC(=O)c1cccc(C(=O)NCC(C)(C)CC(C)C)n1 CC(C)C[*:1] COC(=O)c1cccc(n1)C(=O)NCC(C)(C)[*:1]
Cc1nonc1C[C@@H](C(=O)[O-])c1ccccc1Br Cc1nonc1[*:1] O=C([O-])[C@H](C[*:1])c1ccccc1Br
Cc1nonc1C[C@@H](C(=O)[O-])c1ccccc1Br O=C([O-])[*:1] Cc1nonc1C[C@@H](c1ccccc1Br)[*:1]
O=C(Cc1csc(N2CCCC2=O)n1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 O=C1CCCN1[*:1] O=C(Cc1csc(n1)[*:1])N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1
O=C(Cc1csc(N2CCCC2=O)n1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)C[*:1] O=C(Cc1csc(n1)N1CCCC1=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
O=C(Cc1csc(N2CCCC2=O)n1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)N1CCCC1=O)N[C@@H](C[*:1])c1nc2ccccc2[nH]1
O=C(Cc1csc(N2CCCC2=O)n1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] O=C(Cc1csc(n1)N1CCCC1=O)N[C@@H](Cc1ccccc1)[*:1]
Cn1c(CNC(=O)CC2CCC(c3ccccc3)CC2)n[nH]c1=S Cn1c(C[*:1])n[nH]c1=S O=C(CC1CCC(CC1)c1ccccc1)N[*:1]
Cn1c(CNC(=O)CC2CCC(c3ccccc3)CC2)n[nH]c1=S c1ccc(cc1)[*:1] Cn1c(CNC(=O)CC2CCC(CC2)[*:1])n[nH]c1=S
Cn1c(CNC(=O)CC2CCC(c3ccccc3)CC2)n[nH]c1=S Cn1c(n[nH]c1=S)[*:1] O=C(CC1CCC(CC1)c1ccccc1)NC[*:1]
Cc1cc([C@H](O)[C@H](C)C(C)C)c(F)cc1F CC(C)[C@@H](C)[*:1] Cc1cc(c(F)cc1F)[C@H](O)[*:1]
Cc1cc([C@H](O)[C@H](C)C(C)C)c(F)cc1F CC(C)[*:1] Cc1cc(c(F)cc1F)[C@H](O)[C@H](C)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O c1ccc(cc1)-c1noc(n1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)Cn1nc2c(cccn2c1=O)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O COc1cc(Cl)c(C)cc1[*:1] O=C(Cn1nc2c(cccn2c1=O)-c1nc(no1)-c1ccccc1)N[*:1]
COc1cc(Cl)c(C)cc1NC(=O)Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O c1ccc(cc1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)Cn1nc2c(cccn2c1=O)-c1nc(no1)[*:1]
O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 O=[N+]([O-])[*:1] S=C(Nc1ccc(cc1)[*:1])Nc1ccc2CCCc2c1
Cc1cccc(C)c1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl CS(=O)(=O)[*:1] Cc1cccc(C)c1NC(=O)c1cc(ccc1Cl)[*:1]
Cc1c(NC(=O)Cn2nc3n(c2=O)CCCCC3)cccc1C(N)=O NC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)Cn1nc2CCCCCn2c1=O
NC(=O)[C@@H]1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)CCO1 NC(=O)[*:1] Clc1ccc(cc1Cl)COc1ccc(cc1)CN1CCO[C@@H](C1)[*:1]
NC(=O)[C@@H]1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)CCO1 Clc1ccc(cc1Cl)[*:1] NC(=O)[C@@H]1CN(CCO1)Cc1ccc(cc1)OC[*:1]
CC(C)CN(C1CCCC1)S(=O)(=O)c1[nH]ncc1C(=O)[O-] C1CCC(C1)[*:1] CC(C)CN(S(=O)(=O)c1[nH]ncc1C(=O)[O-])[*:1]
CC(C)CN(C1CCCC1)S(=O)(=O)c1[nH]ncc1C(=O)[O-] CC(C)[*:1] O=C([O-])c1cn[nH]c1S(=O)(=O)N(C[*:1])C1CCCC1
CC(C)CN(C1CCCC1)S(=O)(=O)c1[nH]ncc1C(=O)[O-] CC(C)C[*:1] O=C([O-])c1cn[nH]c1S(=O)(=O)N(C1CCCC1)[*:1]
CC(C)CN(C1CCCC1)S(=O)(=O)c1[nH]ncc1C(=O)[O-] O=C([O-])[*:1] CC(C)CN(C1CCCC1)S(=O)(=O)c1[nH]ncc1[*:1]
COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] COc1ccc(OC)c(c1)[C@H](C)NC(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)c1 Cc1cccc(C)c1[*:1] COc1cccc(c1)Cn1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)c1 COc1cccc(c1)C[*:1] Cc1cccc(C)c1NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)c1 COc1cccc(c1)[*:1] Cc1cccc(C)c1NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
CC(C)c1csc([C@@H](C#N)C(=O)CCC(=O)c2ccc(F)c(F)c2)n1 CC(C)c1csc(n1)[*:1] N#C[C@@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)[*:1]
CC(C)c1csc([C@@H](C#N)C(=O)CCC(=O)c2ccc(F)c(F)c2)n1 CC(C)[*:1] N#C[C@@H](C(=O)CCC(=O)c1ccc(F)c(F)c1)c1nc(cs1)[*:1]
CC(C)c1csc([C@@H](C#N)C(=O)CCC(=O)c2ccc(F)c(F)c2)n1 Fc1ccc(cc1F)[*:1] CC(C)c1csc(n1)[C@@H](C#N)C(=O)CCC(=O)[*:1]
O=C(Cc1coc(-c2cccs2)n1)N1CCC[C@H]1c1cccnc1 c1csc(c1)[*:1] O=C(Cc1coc(n1)[*:1])N1CCC[C@H]1c1cccnc1
O=C(Cc1coc(-c2cccs2)n1)N1CCC[C@H]1c1cccnc1 c1cncc(c1)[*:1] O=C(Cc1coc(n1)-c1cccs1)N1CCC[C@@H]1[*:1]
Cc1ccc(NC(=O)NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(COc1ccc2c3CCCc3c(=O)oc2c1)NC(=O)N[*:1]
NC(=O)C1CCN(C(=O)Cn2c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc32)CC1 Clc1ccc(cc1Cl)[*:1] NC(=O)C1CCN(CC1)C(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
NC(=O)C1CCN(C(=O)Cn2c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc32)CC1 NC(=O)[*:1] O=C(Cn1c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21)N1CCC(CC1)[*:1]
CC(=O)c1c(C)cc(C)c(CNc2ccccc2NC(=O)C[C@H]2C=CCC2)c1C CC(=O)[*:1] Cc1cc(C)c(c(C)c1CNc1ccccc1NC(=O)C[C@H]1C=CCC1)[*:1]
O=C(NCC1(c2ccccc2)CC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 c1ccc(cc1)C1(CC1)[*:1] O=C(NC[*:1])N1CCN(CC1)Cc1cn2ccccc2[nH+]1
O=C(NCC1(c2ccccc2)CC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 c1ccc(cc1)[*:1] O=C(NCC1(CC1)[*:1])N1CCN(CC1)Cc1cn2ccccc2[nH+]1
Cc1cccc(C(C)C)c1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 CC(C)[*:1] Cc1cccc(c1NC(=O)C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
COC(=O)C1=C(NC(=O)c2ccc(OC)cc2)CCS1 COC(=O)[*:1] COc1ccc(cc1)C(=O)NC1CCSC=1[*:1]
O=C(NCCc1ccco1)[C@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 c1coc(c1)CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2cc(Br)ccc2[nH]1
O=C(NCCc1ccco1)[C@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 c1coc(c1)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)c1nc2cc(Br)ccc2[nH]1
O=C(NCCc1ccco1)[C@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 c1coc(c1)C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nc2cc(Br)ccc2[nH]1
Cc1cc(C(=O)NC2CCCCC2)ccc1NCC(=O)N1C[C@H](C)O[C@@H](C)C1 O=C(NC1CCCCC1)[*:1] Cc1cc(ccc1NCC(=O)N1C[C@H](C)O[C@@H](C)C1)[*:1]
Cc1cc(C(=O)NC2CCCCC2)ccc1NCC(=O)N1C[C@H](C)O[C@@H](C)C1 C1CCC(CC1)[*:1] Cc1cc(ccc1NCC(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)N[*:1]
CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)C[*:1] CCN(C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1)[*:1]
CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
C[C@H]1C[C@H]1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 C[C@H]1C[C@H]1C(=O)N[*:1] Cn1cc[nH+]c1C[C@@H](c1ccccc1)[*:1]
C[C@H]1C[C@H]1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 C[C@H]1C[C@@H]1[*:1] Cn1cc[nH+]c1C[C@H](NC(=O)[*:1])c1ccccc1
C[C@H]1C[C@H]1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1C(=O)N[C@@H](Cc1[nH+]ccn1C)[*:1]
Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)COc1ccc(cc1)[N+](=O)[O-])NC(=O)[*:1]
Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)CO[*:1])NC(=O)c1ccco1
Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)COc1ccc(cc1)[*:1])NC(=O)c1ccco1
Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1NC(=O)COc1ccc(cc1)[N+](=O)[O-])[*:1]
Cn1cc(CN(Cc2ccccc2C#N)C2CCCC2)c(=O)n(C)c1=O C1CCC(C1)[*:1] Cn1cc(CN(Cc2ccccc2C#N)[*:1])c(=O)n(C)c1=O
Cn1cc(CN(Cc2ccccc2C#N)C2CCCC2)c(=O)n(C)c1=O N#Cc1ccccc1[*:1] Cn1cc(CN(C[*:1])C2CCCC2)c(=O)n(C)c1=O
COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2)C(=O)c2ccc(C)cc2)C1 COc1ccccc1[*:1] Cc1ccc(cc1)C(=O)N(Cc1ccc(F)cc1)C[C@@H]1CC(=NO1)[*:1]
COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2)C(=O)c2ccc(C)cc2)C1 Fc1ccc(cc1)C[*:1] COc1ccccc1C1C[C@@H](CN(C(=O)c2ccc(C)cc2)[*:1])ON=1
COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2)C(=O)c2ccc(C)cc2)C1 Fc1ccc(cc1)[*:1] COc1ccccc1C1C[C@@H](CN(C[*:1])C(=O)c2ccc(C)cc2)ON=1
COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2)C(=O)c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] COc1ccccc1C1C[C@@H](CN(Cc2ccc(F)cc2)C(=O)[*:1])ON=1
O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O O=C([O-])[*:1] O=C1c2ccccc2C(=O)N1[C@@H](Cc1ccc(cc1)[N+](=O)[O-])[*:1]
O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O O=[N+]([O-])[*:1] O=C([O-])[C@H](Cc1ccc(cc1)[*:1])N1C(=O)c2ccccc2C1=O
C[NH+](CCCNC(=O)N1CCN(S(C)(=O)=O)CC1)CC(F)(F)F FC(F)(F)[*:1] C[NH+](CCCNC(=O)N1CCN(CC1)S(C)(=O)=O)C[*:1]
CS(=O)(=O)N1CCC[C@@H](C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(F)cc3s2)C1 C1CO[C@@H](C1)C[*:1] CS(=O)(=O)N1CCC[C@H](C1)C(=O)N(c1nc2ccc(F)cc2s1)[*:1]
CS(=O)(=O)N1CCC[C@@H](C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(F)cc3s2)C1 C1CO[C@@H](C1)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C(=O)N(C[*:1])c1nc2ccc(F)cc2s1
COc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2ncnn21 c1ccc(cc1)[*:1] COc1ccccc1[C@@H]1C[C@H](Nc2ncnn21)[*:1]
COC(=O)c1ccc(-c2cc(C#N)ccn2)cc1 COC(=O)[*:1] N#Cc1ccnc(c1)-c1ccc(cc1)[*:1]
N#CCOc1cccc(CC(=O)N[C@@H](C(N)=O)c2ccccc2)c1 NC(=O)[*:1] N#CCOc1cccc(c1)CC(=O)N[C@@H](c1ccccc1)[*:1]
N#CCOc1cccc(CC(=O)N[C@@H](C(N)=O)c2ccccc2)c1 N#CC[*:1] NC(=O)[C@H](NC(=O)Cc1cccc(c1)O[*:1])c1ccccc1
N#CCOc1cccc(CC(=O)N[C@@H](C(N)=O)c2ccccc2)c1 c1ccc(cc1)[*:1] N#CCOc1cccc(c1)CC(=O)N[C@@H](C(N)=O)[*:1]
N#CCOc1cccc(CC(=O)N[C@@H](C(N)=O)c2ccccc2)c1 N#CCO[*:1] NC(=O)[C@H](NC(=O)Cc1cccc(c1)[*:1])c1ccccc1
NC(=O)c1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c2ccccc12 NC(=O)[*:1] O=C(Cn1nc(c2ccccc2c1=O)[*:1])NCc1ccc(F)cc1
NC(=O)c1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c2ccccc12 Fc1ccc(cc1)C[*:1] NC(=O)c1nn(CC(=O)N[*:1])c(=O)c2ccccc12
NC(=O)c1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c2ccccc12 Fc1ccc(cc1)[*:1] NC(=O)c1nn(CC(=O)NC[*:1])c(=O)c2ccccc12
Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)N3CCCCCC3)CC2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N1CCC(CC1)C(=O)N1CCCCCC1)[*:1]
COc1ccc(-n2nc3c(c2NC(=O)/C=C\c2ccc(OC)c(OC)c2)CS(=O)(=O)C3)cc1 COc1ccc(cc1OC)[*:1] COc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)C=C[*:1]
COc1ccc(-n2nc3c(c2NC(=O)/C=C\c2ccc(OC)c(OC)c2)CS(=O)(=O)C3)cc1 COc1ccc(cc1)[*:1] COc1ccc(/C=C\C(=O)Nc2c3CS(=O)(=O)Cc3nn2[*:1])cc1OC
NC(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2F)C2CC2)C1 C1CC1[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N(Cc1ccccc1F)[*:1]
NC(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2F)C2CC2)C1 Fc1ccccc1[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N(C[*:1])C1CC1
CCCS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 CCCS(=O)(=O)N[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)[*:1]
CCCS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 CCC[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
CCCS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 Cc1ccc(cc1C)[*:1] CCCS(=O)(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1ccc(OC(=O)c2cc(F)c(F)cc2Cl)cc1 CC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1cc(F)c(F)cc1Cl
C[C@H](Cc1ccsc1)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 c1cc(cs1)C[*:1] C[C@H]([NH2+]C1CCN(CC1)S(=O)(=O)c1cnn(C)c1)[*:1]
C[C@H](Cc1ccsc1)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 c1cc(cs1)[*:1] C[C@H](C[*:1])[NH2+]C1CCN(CC1)S(=O)(=O)c1cnn(C)c1
C[C@H](Cc1ccsc1)[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] C[C@H](Cc1ccsc1)[NH2+]C1CCN(CC1)S(=O)(=O)[*:1]
CCCCNC(=S)NNC(=O)c1nn(C)c(C)c1Cl CCCC[*:1] Cc1c(Cl)c(nn1C)C(=O)NNC(=S)N[*:1]
CCCCNC(=S)NNC(=O)c1nn(C)c(C)c1Cl CCC[*:1] Cc1c(Cl)c(nn1C)C(=O)NNC(=S)NC[*:1]
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCCN(c2cccc[nH+]2)CC1 Clc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])N1CCCN(CC1)c1cccc[nH+]1
C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccccc2)S1 c1ccc(cc1)[*:1] C[C@H]1CN=C(S1)N(C(=O)N[*:1])c1ccccc1
C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccccc2)S1 c1ccc(cc1)[*:1] C[C@H]1CN=C(S1)N(C(=O)Nc1ccccc1)[*:1]
O=C(c1cc(COc2ccccc2)on1)N1CCCC[C@H]1c1ccc(F)cc1 c1ccc(cc1)OC[*:1] O=C(c1cc(on1)[*:1])N1CCCC[C@H]1c1ccc(F)cc1
O=C(c1cc(COc2ccccc2)on1)N1CCCC[C@H]1c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(c1cc(CO[*:1])on1)N1CCCC[C@H]1c1ccc(F)cc1
O=C(c1cc(COc2ccccc2)on1)N1CCCC[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(c1cc(COc2ccccc2)on1)N1CCCC[C@@H]1[*:1]
O=C(c1cc(COc2ccccc2)on1)N1CCCC[C@H]1c1ccc(F)cc1 c1ccc(cc1)O[*:1] O=C(c1cc(C[*:1])on1)N1CCCC[C@H]1c1ccc(F)cc1
CCn1cc[nH+]c1CN1CCN(Cc2ncc(C(C)(C)C)o2)C[C@@H]1C CC(C)(C)[*:1] CCn1cc[nH+]c1CN1CCN(Cc2ncc(o2)[*:1])C[C@@H]1C
CCc1c(C)sc2ncn3nc([C@@H](C)n4nc(C)c([N+](=O)[O-])c4C)nc3c12 O=[N+]([O-])[*:1] CCc1c(C)sc2ncn3nc(nc3c12)[C@@H](C)n1nc(C)c(c1C)[*:1]
C[C@H](CNC(=O)NCc1cc(C#N)ccc1F)Oc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] C[C@H](CNC(=O)NCc1cc(C#N)ccc1F)[*:1]
C[C@H](CNC(=O)NCc1cc(C#N)ccc1F)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CNC(=O)NCc1cc(C#N)ccc1F)O[*:1]
CCOc1ccccc1O[C@@H]1CC[C@@]([NH2+]C)(C(N)=O)C1 CCO[*:1] C[NH2+][C@]1(CC[C@H](C1)Oc1ccccc1[*:1])C(N)=O
CCOc1ccccc1O[C@@H]1CC[C@@]([NH2+]C)(C(N)=O)C1 NC(=O)[*:1] CCOc1ccccc1O[C@@H]1CC[C@](C1)([NH2+]C)[*:1]
CNc1nc(C(=O)N2CC=C(c3cccc(C)c3)CC2)cs1 CNc1nc(cs1)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)[*:1]
CNc1nc(C(=O)N2CC=C(c3cccc(C)c3)CC2)cs1 Cc1cccc(c1)[*:1] CNc1nc(cs1)C(=O)N1CC=C(CC1)[*:1]
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(Cl)c1N(C)C CN(C)[*:1] C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(Cl)c1[*:1]
Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C[C@@H]3CCCO3)C23CCCC3)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2
Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C[C@@H]3CCCO3)C23CCCC3)nc1 Cc1ccc(nc1)NC(=O)[*:1] O=C1c2ccccc2[C@@H](C2(CCCC2)N1C[C@@H]1CCCO1)[*:1]
C[C@@H]1CN(S(=O)(=O)N(CCO)c2ccc(F)cc2F)C[C@@H](C)O1 OCC[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)N(c1ccc(F)cc1F)[*:1]
C[C@H](CC(F)(F)F)[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O FC(F)(F)C[*:1] C[C@H]([NH2+][C@H]1CCN(C1=O)c1ccc(Cl)cc1)[*:1]
C[C@H](CC(F)(F)F)[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O FC(F)(F)[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCN(C1=O)c1ccc(Cl)cc1
C[C@H](CC(F)(F)F)[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] C[C@H](CC(F)(F)F)[NH2+][C@H]1CCN(C1=O)[*:1]
Cc1nn(C)c(C)c1CC(=O)OCCn1nc2ccccn2c1=O Cc1nn(C)c(C)c1[*:1] O=C(C[*:1])OCCn1nc2ccccn2c1=O
COC(=O)C1CCC(c2nc(-c3ccccc3OC)no2)CC1 COC(=O)[*:1] COc1ccccc1-c1noc(n1)C1CCC(CC1)[*:1]
CC[C@](C)([C@@H](O)CCC[C@@H]1CCCO1)N1CCOCC1 C1CO[C@@H](C1)C[*:1] CC[C@](C)([C@@H](O)CC[*:1])N1CCOCC1
CC[C@](C)([C@@H](O)CCC[C@@H]1CCCO1)N1CCOCC1 C1CO[C@@H](C1)[*:1] CC[C@](C)([C@@H](O)CCC[*:1])N1CCOCC1
CC[C@](C)([C@@H](O)CCC[C@@H]1CCCO1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@](C)([C@@H](O)CCC[C@@H]1CCCO1)[*:1]
NC(=O)c1cccc2c1CCCN2C(=O)c1cccc(-c2ccoc2)c1 NC(=O)[*:1] O=C(c1cccc(c1)-c1ccoc1)N1CCCc2c1cccc2[*:1]
NC(=O)c1cccc2c1CCCN2C(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] NC(=O)c1cccc2c1CCCN2C(=O)c1cccc(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCN(CC(=O)NC2CC2)CC1 C1CC1[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCN(CC1)CC(=O)N[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCN(CC(=O)NC2CC2)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)[C@H](C)N1CCN(CC1)CC(=O)NC1CC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCN(CC(=O)NC2CC2)CC1 O=C(C[*:1])NC1CC1 Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCN(CC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCN(CC(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCN(CC1)C[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccnc(OCc3ccccc3)c2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccnc(c1)OC[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccnc(OCc3ccccc3)c2)C1 c1ccc(cc1)CO[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccnc(c1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccnc(OCc3ccccc3)c2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccnc(c1)O[*:1]
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)c1ncnc2[nH]cnc12 c1ccc2oc(cc2c1)[*:1] C[C@@H](N(C)C(=O)CN(C)c1ncnc2[nH]cnc12)[*:1]
COc1ccc(F)cc1NC(=O)C(=O)NCCCC1CCCCC1 C1CCC(CC1)CC[*:1] COc1ccc(F)cc1NC(=O)C(=O)NC[*:1]
COc1ccc(F)cc1NC(=O)C(=O)NCCCC1CCCCC1 C1CCC(CC1)C[*:1] COc1ccc(F)cc1NC(=O)C(=O)NCC[*:1]
COc1ccc(F)cc1NC(=O)C(=O)NCCCC1CCCCC1 C1CCC(CC1)[*:1] COc1ccc(F)cc1NC(=O)C(=O)NCCC[*:1]
CC(C)Oc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)CCl)cc2)n1 FC(F)(F)c1ccc(cc1)[*:1] CC(C)Oc1nc(n(n1)-c1ccc(cc1)NC(=O)CCl)[*:1]
CC(C)Oc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)CCl)cc2)n1 CC(C)[*:1] O=C(CCl)Nc1ccc(cc1)-n1nc(nc1-c1ccc(cc1)C(F)(F)F)O[*:1]
CC(C)Oc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)CCl)cc2)n1 CC(C)O[*:1] O=C(CCl)Nc1ccc(cc1)-n1nc(nc1-c1ccc(cc1)C(F)(F)F)[*:1]
CC(C)Oc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)CCl)cc2)n1 O=C(CCl)N[*:1] CC(C)Oc1nc(-c2ccc(cc2)C(F)(F)F)n(n1)-c1ccc(cc1)[*:1]
CC(C)Oc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)CCl)cc2)n1 FC(F)(F)[*:1] CC(C)Oc1nc(-c2ccc(cc2)[*:1])n(n1)-c1ccc(cc1)NC(=O)CCl
Cc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3Cl)sc2c1 Clc1ccccc1[*:1] Cc1ccc2nc(sc2c1)-n1nc(C)c2c1NC(=O)C[C@H]2[*:1]
O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H](O)C1 O=[N+]([O-])[*:1] O[C@H]1CCN(C1)c1ccc(Br)cc1[*:1]
Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H]3CCc4ncnn4C3)n2)cc1F Cc1ccc(cc1F)[*:1] C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1nc(no1)[*:1]
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCCO4)n2)cc1 CCc1ccc(cc1)[*:1] N#C/C(=C\Nc1ccc2OCCOc2c1)c1nc(cs1)[*:1]
CCOC(=O)c1sc2ncn(C[C@H](C)CC)c(=O)c2c1C CC[C@@H](C)C[*:1] CCOC(=O)c1sc2ncn(c(=O)c2c1C)[*:1]
CCOC(=O)c1sc2ncn(C[C@H](C)CC)c(=O)c2c1C CCOC(=O)[*:1] CC[C@@H](C)Cn1cnc2sc(c(C)c2c1=O)[*:1]
CCOC(=O)c1sc2ncn(C[C@H](C)CC)c(=O)c2c1C CC[C@@H](C)[*:1] CCOC(=O)c1sc2ncn(C[*:1])c(=O)c2c1C
CCCc1cc(NC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)n(C)n1 CCC[*:1] CC(=O)Nc1cc(cc(c1)C(=O)Nc1cc(nn1C)[*:1])NC(C)=O
CCCc1cc(NC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)n(C)n1 CC(=O)N[*:1] CCCc1cc(NC(=O)c2cc(cc(c2)[*:1])NC(C)=O)n(C)n1
O=C(NCc1ccncc1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccncc1)N(CCc1ccccc1)C[*:1]
O=C(NCc1ccncc1)N(CCc1ccccc1)Cc1ccccc1 c1cc(ccn1)[*:1] O=C(NC[*:1])N(CCc1ccccc1)Cc1ccccc1
O=C(NCc1ccncc1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccncc1)N(CC[*:1])Cc1ccccc1
O=C(NCc1ccncc1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCc1ccncc1)N(CCc1ccccc1)[*:1]
O=C(NCc1ccncc1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)CC[*:1] O=C(NCc1ccncc1)N(Cc1ccccc1)[*:1]
O=C(NCc1ccncc1)N(CCc1ccccc1)Cc1ccccc1 c1cc(ccn1)C[*:1] O=C(N[*:1])N(CCc1ccccc1)Cc1ccccc1
O=C(NCc1ccncc1)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCc1ccncc1)N(Cc1ccccc1)C[*:1]
Cc1nc(C(C)(C)C)nc2sc(C(=O)NNC(=O)c3cccnc3)c(C)c12 c1cncc(c1)[*:1] Cc1nc(nc2sc(C(=O)NNC(=O)[*:1])c(C)c12)C(C)(C)C
Cc1nc(C(C)(C)C)nc2sc(C(=O)NNC(=O)c3cccnc3)c(C)c12 CC(C)(C)[*:1] Cc1nc(nc2sc(C(=O)NNC(=O)c3cccnc3)c(C)c12)[*:1]
CC(C)[C@@H]1Cc2nc(Cl)c(C#N)cc2CO1 CC(C)[*:1] N#Cc1cc2CO[C@@H](Cc2nc1Cl)[*:1]
C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1OCC CCO[*:1] C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1[*:1]
C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1OCC C=CCOC(=O)[*:1] CCOc1ccccc1[C@@H]1C(=C(C)Nc2nnnn21)[*:1]
C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1OCC C=CC[*:1] CCOc1ccccc1[C@@H]1C(C(=O)O[*:1])=C(C)Nc2nnnn21
O=C(COC(=O)c1ccccc1Br)Nc1ccc2[nH]c(=O)[nH]c2c1 Brc1ccccc1[*:1] O=C(COC(=O)[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
CC(=O)N(C)c1nc([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)cs1 CC(=O)N(C)[*:1] CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1csc(n1)[*:1]
c1ccc(Cc2nnc(SCc3noc(C4CC4)n3)o2)cc1 c1ccc(cc1)[*:1] C(Sc1nnc(C[*:1])o1)c1noc(n1)C1CC1
c1ccc(Cc2nnc(SCc3noc(C4CC4)n3)o2)cc1 C1CC1[*:1] c1ccc(cc1)Cc1nnc(o1)SCc1noc(n1)[*:1]
c1ccc(Cc2nnc(SCc3noc(C4CC4)n3)o2)cc1 c1ccc(cc1)C[*:1] C(Sc1nnc(o1)[*:1])c1noc(n1)C1CC1
CCc1ccc(CC)c(NC(=O)[C@H](C)Oc2cccc(C=O)c2)c1 O=Cc1cccc(c1)[*:1] CCc1ccc(CC)c(c1)NC(=O)[C@H](C)O[*:1]
CC(=O)Nc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 CC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCc2sccc2[C@H]1c1cccs1
CC(=O)Nc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N1CCc2sccc2[C@@H]1[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)CCc2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1nnnn1-c1ccc(F)c(c1)NC(=O)CC[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)CCc2ccccc2Cl)c1 Cc1nnnn1[*:1] O=C(CCc1ccccc1Cl)Nc1cc(ccc1F)[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)CCc2ccccc2Cl)c1 Clc1ccccc1C[*:1] Cc1nnnn1-c1ccc(F)c(c1)NC(=O)C[*:1]
Cc1ccc(C(=O)NC(C2CC2)C2CC2)cc1S(=O)(=O)N1CCCCC1 C1CC1C(C1CC1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N[*:1]
Cc1ccc(C(=O)NC(C2CC2)C2CC2)cc1S(=O)(=O)N1CCCCC1 C1CC1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)NC(C1CC1)[*:1]
Cc1cccc(CNC(=O)Cc2cccc(OCC#N)c2)n1 N#CCO[*:1] Cc1cccc(CNC(=O)Cc2cccc(c2)[*:1])n1
Cc1cccc(CNC(=O)Cc2cccc(OCC#N)c2)n1 N#CC[*:1] Cc1cccc(CNC(=O)Cc2cccc(c2)O[*:1])n1
Cc1cccc(CNC(=O)Cc2cccc(OCC#N)c2)n1 Cc1cccc(n1)[*:1] N#CCOc1cccc(c1)CC(=O)NC[*:1]
CCOC(=O)C1CCN(S(=O)(=O)C[C@H](C)CCl)CC1 CCOC(=O)[*:1] C[C@H](CCl)CS(=O)(=O)N1CCC(CC1)[*:1]
C[NH2+]C[C@@H](C)c1c(C)nc(C(C)(C)OC)nc1C COC(C)(C)[*:1] C[NH2+]C[C@@H](C)c1c(C)nc(nc1C)[*:1]
COCCN(CC(=O)N(C)C)Cc1scnc1C CN(C)C(=O)[*:1] COCCN(Cc1scnc1C)C[*:1]
COCCN(CC(=O)N(C)C)Cc1scnc1C COC[*:1] Cc1ncsc1CN(CC(=O)N(C)C)C[*:1]
COCCN(CC(=O)N(C)C)Cc1scnc1C COCC[*:1] Cc1ncsc1CN(CC(=O)N(C)C)[*:1]
COCCN(CC(=O)N(C)C)Cc1scnc1C Cc1ncsc1[*:1] COCCN(CC(=O)N(C)C)C[*:1]
COCCN(CC(=O)N(C)C)Cc1scnc1C CN(C)C(=O)C[*:1] COCCN(Cc1scnc1C)[*:1]
O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@@H]1COc2ccccc2O1 FC(F)(F)[*:1] O=C(Nc1ncc(Cc2cccc(c2)[*:1])s1)[C@@H]1COc2ccccc2O1
CC(C)Cc1noc(CNc2cccc(C(=O)N(C)c3ccccc3)c2)n1 CC(C)C[*:1] CN(C(=O)c1cccc(c1)NCc1nc(no1)[*:1])c1ccccc1
CC(C)Cc1noc(CNc2cccc(C(=O)N(C)c3ccccc3)c2)n1 CC(C)Cc1noc(n1)[*:1] CN(C(=O)c1cccc(c1)NC[*:1])c1ccccc1
CC(C)Cc1noc(CNc2cccc(C(=O)N(C)c3ccccc3)c2)n1 CC(C)[*:1] CN(C(=O)c1cccc(c1)NCc1nc(C[*:1])no1)c1ccccc1
CC(C)Cc1noc(CNc2cccc(C(=O)N(C)c3ccccc3)c2)n1 c1ccc(cc1)[*:1] CC(C)Cc1noc(CNc2cccc(c2)C(=O)N(C)[*:1])n1
CCSc1nnc2cc(C)nc(C)n12 CCS[*:1] Cc1cc2nnc(n2c(C)n1)[*:1]
CCn1ncc(CN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)c1C CC(C)(O)CC[*:1] CCn1ncc(CN(C)C(=O)c2ccc(cc2)[*:1])c1C
CCn1ncc(CN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)c1C CCn1ncc(c1C)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)CCC(C)(C)O
CCn1ncc(CN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)c1C CC(C)(O)C[*:1] CCn1ncc(CN(C)C(=O)c2ccc(cc2)C[*:1])c1C
CCn1ncc(CN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)c1C CC(C)(O)[*:1] CCn1ncc(CN(C)C(=O)c2ccc(cc2)CC[*:1])c1C
CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(C)c3)cc21 Cc1cccc(c1)[*:1] CCS(=O)(=O)N1CCCc2ccc(cc21)NS(=O)(=O)[*:1]
C#Cc1cccc(NC(=O)C(=O)NC2CCN(C(=O)c3ccco3)CC2)c1 c1coc(c1)[*:1] C#Cc1cccc(c1)NC(=O)C(=O)NC1CCN(CC1)C(=O)[*:1]
C#Cc1cccc(NC(=O)C(=O)NC2CCN(C(=O)c3ccco3)CC2)c1 C#Cc1cccc(c1)[*:1] O=C(NC1CCN(CC1)C(=O)c1ccco1)C(=O)N[*:1]
CCCNC(=O)Nc1cccc(OC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 CCC[*:1] O=C(Nc1cccc(c1)OC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N[*:1]
CCCNC(=O)Nc1cccc(OC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 CCCNC(=O)N[*:1] O=C(Oc1cccc(c1)[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
Cc1cc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)c(C)s1 CC(C)[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CC[NH+](CC1)[*:1]
COc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)c1 COc1cccc(c1)[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2
COc1ccc2c(C)c(C(=O)NCC(C)C)oc2c1OC CC(C)CNC(=O)[*:1] COc1ccc2c(C)c(oc2c1OC)[*:1]
COc1ccc2c(C)c(C(=O)NCC(C)C)oc2c1OC CC(C)[*:1] COc1ccc2c(C)c(oc2c1OC)C(=O)NC[*:1]
COc1ccc2c(C)c(C(=O)NCC(C)C)oc2c1OC CC(C)C[*:1] COc1ccc2c(C)c(oc2c1OC)C(=O)N[*:1]
NC(=O)c1ccccc1/C=C/c1ccccc1 NC(=O)[*:1] C(=C/c1ccccc1[*:1])\c1ccccc1
O=C1C(=O)N(C2CCCCC2)C(=O)N1CN(Cc1ccccc1)C1CC1 C1CCC(CC1)[*:1] O=C1C(=O)N(C(=O)N1CN(Cc1ccccc1)C1CC1)[*:1]
O=C1C(=O)N(C2CCCCC2)C(=O)N1CN(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C1C(=O)N(C(=O)N1CN(C[*:1])C1CC1)C1CCCCC1
O=C1C(=O)N(C2CCCCC2)C(=O)N1CN(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C1C(=O)N(C(=O)N1CN(Cc1ccccc1)[*:1])C1CCCCC1
O=C1C(=O)N(C2CCCCC2)C(=O)N1CN(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C1C(=O)N(C(=O)N1CN(C1CC1)[*:1])C1CCCCC1
O=C(Nc1c[nH]nc1-c1ccccn1)c1cc2ccccc2cc1O c1ccc(nc1)[*:1] O=C(Nc1c[nH]nc1[*:1])c1cc2ccccc2cc1O
O=C1CCCCN1c1ccc(S(=O)(=O)NCc2cccnc2)cc1 O=C1CCCCN1[*:1] O=S(=O)(NCc1cccnc1)c1ccc(cc1)[*:1]
O=C1CCCCN1c1ccc(S(=O)(=O)NCc2cccnc2)cc1 c1cncc(c1)[*:1] O=C1CCCCN1c1ccc(cc1)S(=O)(=O)NC[*:1]
O=C1CCCCN1c1ccc(S(=O)(=O)NCc2cccnc2)cc1 c1cncc(c1)C[*:1] O=C1CCCCN1c1ccc(cc1)S(=O)(=O)N[*:1]
CC(=O)c1cccc(Nc2cc(C)nc3nc(-c4ccccc4C)nn23)c1 CC(=O)[*:1] Cc1cc(Nc2cccc(c2)[*:1])n2nc(nc2n1)-c1ccccc1C
CC(=O)c1cccc(Nc2cc(C)nc3nc(-c4ccccc4C)nn23)c1 CC(=O)c1cccc(c1)[*:1] Cc1cc(N[*:1])n2nc(nc2n1)-c1ccccc1C
CC(=O)c1cccc(Nc2cc(C)nc3nc(-c4ccccc4C)nn23)c1 Cc1ccccc1[*:1] CC(=O)c1cccc(c1)Nc1cc(C)nc2nc(nn12)[*:1]
COc1cccc(-c2cc3c(c(OC)c2)OCC[NH+](C(C)C)C3)n1 CC(C)[*:1] COc1cccc(n1)-c1cc2C[NH+](CCOc2c(c1)OC)[*:1]
COc1cccc(-c2cc3c(c(OC)c2)OCC[NH+](C(C)C)C3)n1 COc1cccc(n1)[*:1] COc1cc(cc2C[NH+](CCOc21)C(C)C)[*:1]
Cc1sc2ncn(C[C@@H](O)CN3CCOCC3)c(=O)c2c1C C1CN(CCO1)[*:1] Cc1sc2ncn(C[C@@H](O)C[*:1])c(=O)c2c1C
Cc1sc2ncn(C[C@@H](O)CN3CCOCC3)c(=O)c2c1C C1CN(CCO1)C[*:1] Cc1sc2ncn(C[C@@H](O)[*:1])c(=O)c2c1C
O=C(N[C@H]1CCN(c2ccccc2)C1=O)N(CCC(F)(F)F)CC1CC1 C1CC1C[*:1] O=C1[C@H](CCN1c1ccccc1)NC(=O)N(CCC(F)(F)F)[*:1]
O=C(N[C@H]1CCN(c2ccccc2)C1=O)N(CCC(F)(F)F)CC1CC1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])N(CCC(F)(F)F)CC1CC1
O=C(N[C@H]1CCN(c2ccccc2)C1=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)C[*:1] O=C(N[C@H]1CCN(C1=O)c1ccccc1)N(CC1CC1)C[*:1]
O=C(N[C@H]1CCN(c2ccccc2)C1=O)N(CCC(F)(F)F)CC1CC1 C1CC1[*:1] O=C(N[C@H]1CCN(C1=O)c1ccccc1)N(CCC(F)(F)F)C[*:1]
O=C(N[C@H]1CCN(c2ccccc2)C1=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)CC[*:1] O=C1[C@H](CCN1c1ccccc1)NC(=O)N(CC1CC1)[*:1]
O=C(N[C@H]1CCN(c2ccccc2)C1=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)[*:1] O=C(N[C@H]1CCN(C1=O)c1ccccc1)N(CC[*:1])CC1CC1
N#Cc1c(NC(=O)CSc2nc(N)cc(=O)[nH]2)sc2c1CCCCCC2 Nc1cc(=O)[nH]c(n1)[*:1] N#Cc1c(NC(=O)CS[*:1])sc2CCCCCCc21
O=C(NOCc1cccnc1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 c1cncc(c1)C[*:1] O=C(NO[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
O=C(NOCc1cccnc1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(NOCc1cccnc1)N[C@@H]1CCCC[C@H]1[*:1]
O=C(NOCc1cccnc1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(NOCc1cccnc1)N[C@@H]1CCCC[C@@H]1O[*:1]
O=C(NOCc1cccnc1)N[C@@H]1CCCC[C@@H]1OC1CCCC1 c1cncc(c1)[*:1] O=C(NOC[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
O=C(CCSc1ccc(Cl)cc1)Nc1nc2ccc(F)cc2s1 Clc1ccc(cc1)[*:1] O=C(CCS[*:1])Nc1nc2ccc(F)cc2s1
CCOC(=O)[C@@H]1[C@H](c2cccs2)NC(=O)N[C@@]1(O)C(F)(F)F c1csc(c1)[*:1] CCOC(=O)[C@@H]1[C@H](NC(=O)N[C@@]1(O)C(F)(F)F)[*:1]
CCOC(=O)[C@@H]1[C@H](c2cccs2)NC(=O)N[C@@]1(O)C(F)(F)F CCOC(=O)[*:1] O=C1N[C@@H](c2cccs2)[C@H]([C@@](O)(N1)C(F)(F)F)[*:1]
CCOC(=O)[C@@H]1[C@H](c2cccs2)NC(=O)N[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@@H]1[C@@H](NC(=O)N[C@]1(O)[*:1])c1cccs1
CS(=O)(=O)N1CCN(C[C@H]2CCOC2)CC1 C1C[C@@H](CO1)[*:1] CS(=O)(=O)N1CCN(CC1)C[*:1]
NC(=O)c1cccc(CNC(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 NC(=O)c1cccc(c1)[*:1] O=C(NC[*:1])Nc1cccc(c1)COc1cccc(F)c1
NC(=O)c1cccc(CNC(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 Fc1cccc(c1)[*:1] NC(=O)c1cccc(c1)CNC(=O)Nc1cccc(c1)CO[*:1]
NC(=O)c1cccc(CNC(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 Fc1cccc(c1)O[*:1] NC(=O)c1cccc(c1)CNC(=O)Nc1cccc(c1)C[*:1]
NC(=O)c1cccc(CNC(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])Nc1cccc(c1)COc1cccc(F)c1
NC(=O)c1cccc(CNC(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 Fc1cccc(c1)OC[*:1] NC(=O)c1cccc(c1)CNC(=O)Nc1cccc(c1)[*:1]
COCc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)no1 O=[N+]([O-])[*:1] COCc1cc(no1)C(=O)N1CCc2ccc(cc2C1)[*:1]
COCc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)no1 COC[*:1] O=C(c1cc(on1)[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
N#Cc1csc(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 N#Cc1csc(c1)[*:1] O[C@@H](C[C@H]1COCCN1C[*:1])c1ccccc1
N#Cc1csc(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1csc(c1)CN1CCOC[C@@H]1C[C@H](O)[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2)[C@@H]1CCCO1 O=[N+]([O-])[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)c1cccc(c1)[*:1])[C@@H]1CCCO1
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2)[C@@H]1CCCO1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1])[C@@H]1CCCO1
O=C(c1ccccc1F)N1CCC(c2nc(O)cc(-c3ccncc3)n2)CC1 c1cc(ccn1)[*:1] O=C(c1ccccc1F)N1CCC(CC1)c1nc(O)cc(n1)[*:1]
O=C(c1ccccc1F)N1CCC(c2nc(O)cc(-c3ccncc3)n2)CC1 Fc1ccccc1[*:1] O=C(N1CCC(CC1)c1nc(O)cc(n1)-c1ccncc1)[*:1]
O=C(Cc1ccccc1)NN=C(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1ccccc1)NN=C(Cc1ccccc1)[*:1]
O=C(Cc1ccccc1)NN=C(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(NN=C(Cc1ccccc1)Cc1ccccc1)[*:1]
O=C(Cc1ccccc1)NN=C(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1)NN=C(Cc1ccccc1)C[*:1]
O=C(Cc1ccccc1)NN=C(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(C[*:1])NN=C(Cc1ccccc1)Cc1ccccc1
Cc1cc([O-])c([C@H]2OC(=O)c3ccccc32)c(=O)n1Cc1ccncc1 c1cc(ccn1)C[*:1] Cc1cc([O-])c(c(=O)n1[*:1])[C@H]1OC(=O)c2ccccc21
Cc1cc([O-])c([C@H]2OC(=O)c3ccccc32)c(=O)n1Cc1ccncc1 c1cc(ccn1)[*:1] Cc1cc([O-])c(c(=O)n1C[*:1])[C@H]1OC(=O)c2ccccc21
CCN(Cc1ccoc1)c1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 c1cc(co1)[*:1] CCN(C[*:1])c1cc[nH+]c(c1)CN1CCN(CC1)C(C)=O
CCN(Cc1ccoc1)c1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 c1cc(co1)C[*:1] CCN(c1cc[nH+]c(c1)CN1CCN(CC1)C(C)=O)[*:1]
CC(=O)Nc1cc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)nn1-c1ccccc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1cc(nn1-c1ccccc1)C(=O)N1CCN(CC1)C[*:1]
CC(=O)Nc1cc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)nn1-c1ccccc1 Cc1ccc(cc1)C[*:1] CC(=O)Nc1cc(nn1-c1ccccc1)C(=O)N1CCN(CC1)[*:1]
CC(=O)Nc1cc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)nn1-c1ccccc1 CC(=O)N[*:1] Cc1ccc(cc1)CN1CCN(CC1)C(=O)c1cc(n(n1)-c1ccccc1)[*:1]
CC(=O)Nc1cc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)Nc1cc(nn1[*:1])C(=O)N1CCN(CC1)Cc1ccc(C)cc1
CC(C)=NOc1nc(N2CCCCC2)nc(N2CCCCC2)n1 C1CCN(CC1)[*:1] CC(C)=NOc1nc(nc(n1)[*:1])N1CCCCC1
CC(C)=NOc1nc(N2CCCCC2)nc(N2CCCCC2)n1 CC(C)=NO[*:1] C1CCN(CC1)c1nc(nc(n1)[*:1])N1CCCCC1
O=S(=O)(c1cccc(-c2csc(N/N=C\c3c(F)cccc3Cl)n2)c1)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] Fc1cccc(Cl)c1/C=N\Nc1nc(cs1)-c1cccc(c1)[*:1]
O=S(=O)(c1cccc(-c2csc(N/N=C\c3c(F)cccc3Cl)n2)c1)N1CCCC1 Fc1cccc(Cl)c1[*:1] O=S(=O)(c1cccc(c1)-c1csc(n1)NN=C[*:1])N1CCCC1
C/C(Nc1cccc(C(F)(F)F)c1)=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] C/C(Nc1cccc(c1)C(F)(F)F)=C1\C(=O)NC(=O)N(C1=O)[*:1]
C/C(Nc1cccc(C(F)(F)F)c1)=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O FC(F)(F)[*:1] C/C(Nc1cccc(c1)[*:1])=C1\C(=O)NC(=O)N(C1=O)c1ccc(Cl)cc1
C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccccc1C(=O)N[*:1]
C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1ccccc1 C[C@H](NC(=O)[*:1])c1ccccc1 O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccccc1[*:1]
C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)[*:1]
Cc1nc(=O)[nH]c(C)c1CC(=O)N[C@H](C)CCCO OCCC[*:1] Cc1nc(=O)[nH]c(C)c1CC(=O)N[C@H](C)[*:1]
Cc1nc(=O)[nH]c(C)c1CC(=O)N[C@H](C)CCCO C[C@H](CCCO)[*:1] Cc1nc(=O)[nH]c(C)c1CC(=O)N[*:1]
Cc1nc(=O)[nH]c(C)c1CC(=O)N[C@H](C)CCCO OCC[*:1] Cc1nc(=O)[nH]c(C)c1CC(=O)N[C@H](C)C[*:1]
CNc1ccc(S(=O)(=O)N(C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] CNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N(C)Cc1nnc(o1)[*:1]
CNc1ccc(S(=O)(=O)N(C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])S(=O)(=O)N(C)Cc1nnc(o1)-c1ccc(Cl)cc1
CCc1ccc(-c2nccn2-c2ccc3n[nH]nc3c2)o1 CCc1ccc(o1)[*:1] c1cn(-c2ccc3n[nH]nc3c2)c(n1)[*:1]
Cc1ccc(C(=O)NC2=NO[C@H](C)C2)cc1NC(=O)c1ccccc1F Fc1ccccc1[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)NC1C[C@@H](C)ON=1
CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3cnn(C)c3)CCO2)nc2ccccc12 CC(C)CNC(=O)[*:1] Cn1cc(cn1)C(=O)N1CCO[C@H](C1)c1cc(c2ccccc2n1)[*:1]
CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3cnn(C)c3)CCO2)nc2ccccc12 Cn1cc(cn1)[*:1] CC(C)CNC(=O)c1cc(nc2ccccc12)[C@H]1CN(CCO1)C(=O)[*:1]
CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3cnn(C)c3)CCO2)nc2ccccc12 CC(C)[*:1] Cn1cc(cn1)C(=O)N1CCO[C@H](C1)c1cc(C(=O)NC[*:1])c2ccccc2n1
CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3cnn(C)c3)CCO2)nc2ccccc12 CC(C)C[*:1] Cn1cc(cn1)C(=O)N1CCO[C@H](C1)c1cc(C(=O)N[*:1])c2ccccc2n1
Cc1ccc(F)c(OCCCCCS)c1 SCCC[*:1] Cc1ccc(F)c(c1)OCC[*:1]
Cc1ccc(F)c(OCCCCCS)c1 SCC[*:1] Cc1ccc(F)c(c1)OCCC[*:1]
Cc1ccc(F)c(OCCCCCS)c1 SCCCC[*:1] Cc1ccc(F)c(c1)OC[*:1]
CCOc1ccccc1-n1c(N)c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc21 CCOc1ccccc1[*:1] Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1[*:1]
CCOc1ccccc1-n1c(N)c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc21 CCO[*:1] Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1-c1ccccc1[*:1]
CC[C@@H](C)[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(N)=O CS(=O)(=O)[*:1] CC[C@@H](C)[C@H](Nc1ccc(cc1[*:1])S(C)(=O)=O)C(N)=O
CC[C@@H](C)[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@H](Nc1ccc(cc1S(C)(=O)=O)S(C)(=O)=O)[*:1]
CC[C@@H](C)[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(N)=O CS(=O)(=O)[*:1] CC[C@@H](C)[C@H](Nc1ccc(cc1S(C)(=O)=O)[*:1])C(N)=O
CC[C@@H](C)[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(N)=O CC[C@@H](C)[*:1] CS(=O)(=O)c1ccc(N[C@H](C(N)=O)[*:1])c(c1)S(C)(=O)=O
C=CCC[C@@H](C)OC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 C=CC[*:1] Cc1nc2CC[C@H](Cc2c(n1)C(F)(F)F)C(=O)O[C@H](C)C[*:1]
C=CCC[C@@H](C)OC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 FC(F)(F)[*:1] C=CCC[C@@H](C)OC(=O)[C@@H]1CCc2nc(C)nc(c2C1)[*:1]
C=CCC[C@@H](C)OC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 C=CCC[*:1] Cc1nc2CC[C@H](Cc2c(n1)C(F)(F)F)C(=O)O[C@H](C)[*:1]
C=CCC[C@@H](C)OC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 C=CCC[C@@H](C)[*:1] Cc1nc2CC[C@H](Cc2c(n1)C(F)(F)F)C(=O)O[*:1]
CC(C)(C)c1cc(NC(=O)CN2CCN(C(=O)CO)CC2)on1 CC(C)(C)[*:1] O=C(CN1CCN(CC1)C(=O)CO)Nc1cc(no1)[*:1]
CC(C)(C)n1cc(NC(=O)NCc2ccc(OC3CCCC3)nc2)cn1 CC(C)(C)[*:1] O=C(NCc1ccc(nc1)OC1CCCC1)Nc1cnn(c1)[*:1]
CC(C)(C)n1cc(NC(=O)NCc2ccc(OC3CCCC3)nc2)cn1 C1CCC(C1)O[*:1] CC(C)(C)n1cc(cn1)NC(=O)NCc1ccc(nc1)[*:1]
CC(C)(C)n1cc(NC(=O)NCc2ccc(OC3CCCC3)nc2)cn1 C1CCC(C1)[*:1] CC(C)(C)n1cc(cn1)NC(=O)NCc1ccc(nc1)O[*:1]
CSc1cccc2sc(N3CCN(C(=O)Cc4ccccc4Cl)CC3)nc12 Clc1ccccc1C[*:1] CSc1cccc2sc(nc12)N1CCN(CC1)C(=O)[*:1]
CSc1cccc2sc(N3CCN(C(=O)Cc4ccccc4Cl)CC3)nc12 Clc1ccccc1[*:1] CSc1cccc2sc(nc12)N1CCN(CC1)C(=O)C[*:1]
C[NH2+][C@@]1(C(=O)[O-])CCC[C@H](n2cc(I)cn2)C1 O=C([O-])[*:1] C[NH2+][C@]1(CCC[C@@H](C1)n1cc(I)cn1)[*:1]
CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 CC(C)(C)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1ccc(Br)o1
CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 CC(C)(C)NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Br)o1
CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 Brc1ccc(o1)[*:1] CC(C)(C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 CC(C)CCO[*:1] O=C1C[C@@H](CN1Cc1ccccn1)C(=O)N1CC[C@H](C1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 CC(C)[*:1] O=C1C[C@@H](CN1Cc1ccccn1)C(=O)N1CC[C@H](C1)OCC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 CC(C)CC[*:1] O=C1C[C@@H](CN1Cc1ccccn1)C(=O)N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 c1ccc(C[*:1])nc1 CC(C)CCO[C@@H]1CCN(C1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 c1ccc(nc1)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 CC(C)C[*:1] O=C1C[C@@H](CN1Cc1ccccn1)C(=O)N1CC[C@H](C1)OC[*:1]
CCOCCOc1ccccc1C(=O)Nc1cccc2ccccc12 CCO[*:1] O=C(Nc1cccc2ccccc12)c1ccccc1OCC[*:1]
CCOCCOc1ccccc1C(=O)Nc1cccc2ccccc12 CCOCCO[*:1] O=C(Nc1cccc2ccccc12)c1ccccc1[*:1]
CCOCCOc1ccccc1C(=O)Nc1cccc2ccccc12 CCOCC[*:1] O=C(Nc1cccc2ccccc12)c1ccccc1O[*:1]
CCOCCOc1ccccc1C(=O)Nc1cccc2ccccc12 CCOC[*:1] O=C(Nc1cccc2ccccc12)c1ccccc1OC[*:1]
COc1ccc(C)cc1C(=O)CCC(=O)Nc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] COc1ccc(C)cc1C(=O)CCC(=O)N[*:1]
COc1cccc(CCNC(=O)N2CCOC[C@@H]2C2CC2)c1 C1CC1[*:1] COc1cccc(c1)CCNC(=O)N1CCOC[C@H]1[*:1]
Cn1cnc([N+](=O)[O-])c1N1CCC([C@H](O)c2ccccc2)CC1 O=[N+]([O-])[*:1] Cn1cnc(c1N1CCC(CC1)[C@H](O)c1ccccc1)[*:1]
Cn1cnc([N+](=O)[O-])c1N1CCC([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1cnc(c1N1CCC(CC1)[C@H](O)[*:1])[N+](=O)[O-]
COc1ccccc1CCNC(=O)[C@H]1CCCN(C2=NC(Cl)=NC3=NC=N[C@@H]32)C1 COc1ccccc1C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C1=NC(Cl)=NC2=NC=N[C@@H]21
COc1ccccc1CCNC(=O)[C@H]1CCCN(C2=NC(Cl)=NC3=NC=N[C@@H]32)C1 COc1ccccc1[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)C1=NC(Cl)=NC2=NC=N[C@@H]21
COCCN(C)C(=O)Nc1ccccc1N(C)Cc1ccccc1 COCC[*:1] CN(Cc1ccccc1)c1ccccc1NC(=O)N(C)[*:1]
COCCN(C)C(=O)Nc1ccccc1N(C)Cc1ccccc1 COC[*:1] CN(C[*:1])C(=O)Nc1ccccc1N(C)Cc1ccccc1
COCCN(C)C(=O)Nc1ccccc1N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] COCCN(C)C(=O)Nc1ccccc1N(C)[*:1]
COCCN(C)C(=O)Nc1ccccc1N(C)Cc1ccccc1 c1ccc(cc1)[*:1] COCCN(C)C(=O)Nc1ccccc1N(C)C[*:1]
C(=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1cccnc1 C(=N\N[*:1])\c1cccnc1 c1ccc(cc1)Nc1nc(nc(n1)[*:1])Nc1ccccc1
C(=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1cccnc1 c1cncc(c1)[*:1] C(=NNc1nc(nc(n1)Nc1ccccc1)Nc1ccccc1)[*:1]
C(=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1cccnc1 c1ccc(cc1)[*:1] C(=N\Nc1nc(nc(n1)N[*:1])Nc1ccccc1)\c1cccnc1
C(=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1cccnc1 c1ccc(cc1)N[*:1] C(=N\Nc1nc(nc(n1)[*:1])Nc1ccccc1)\c1cccnc1
COc1ccc(C(=O)Nc2cc3c(cc2C#N)OCO3)cc1S(=O)(=O)NCc1ccco1 O=S(=O)(NCc1ccco1)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cc2OCOc2cc1C#N
COc1ccc(C(=O)Nc2cc3c(cc2C#N)OCO3)cc1S(=O)(=O)NCc1ccco1 c1coc(c1)[*:1] COc1ccc(cc1S(=O)(=O)NC[*:1])C(=O)Nc1cc2OCOc2cc1C#N
COc1ccc(C(=O)Nc2cc3c(cc2C#N)OCO3)cc1S(=O)(=O)NCc1ccco1 c1coc(c1)C[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)Nc1cc2OCOc2cc1C#N
Cc1ccc(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1F Fc1ccccc1[*:1] Cc1ccc(cc1F)C(=O)N[C@@H](c1nccn1C)[*:1]
Cc1ccc(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1F Cn1ccnc1[*:1] Cc1ccc(cc1F)C(=O)N[C@@H](c1ccccc1F)[*:1]
Cc1ccc(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1F Cc1ccc(cc1F)[*:1] Cn1ccnc1[C@@H](NC(=O)[*:1])c1ccccc1F
CC[C@H]([NH3+])Cc1cc(C)nc([C@H]2CSCCO2)n1 C1CSC[C@@H](O1)[*:1] CC[C@H]([NH3+])Cc1cc(C)nc(n1)[*:1]
Cc1csc2c([C@@H]3CCCN(C(=O)Cc4ccc(S(N)(=O)=O)cc4)C3)nc(C)n12 NS(=O)(=O)[*:1] Cc1csc2c(nc(C)n12)[C@@H]1CCCN(C1)C(=O)Cc1ccc(cc1)[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(Br)o4)CC3)[nH+]c2)no1 Brc1ccc(o1)[*:1] CCc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
CCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(Br)o4)CC3)[nH+]c2)no1 CCc1nc(no1)[*:1] O=C(c1ccc(Br)o1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nc2ccccc2c1=O C1CN(CCO1)[*:1] Cn1c(nc2ccccc2c1=O)SCC(=O)Nc1cc(ccc1[*:1])C(F)(F)F
Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nc2ccccc2c1=O FC(F)(F)[*:1] Cn1c(nc2ccccc2c1=O)SCC(=O)Nc1cc(ccc1N1CCOCC1)[*:1]
CCOc1ccc(C2=CCN(C(=O)[C@@H]3CCCS3)CC2)cc1 CCO[*:1] O=C([C@@H]1CCCS1)N1CC=C(CC1)c1ccc(cc1)[*:1]
Clc1cccc(Cl)c1C[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1 C1C[C@H](CO1)[*:1] Clc1cccc(Cl)c1C[NH2+]C[C@H](N1CCOCC1)[*:1]
Clc1cccc(Cl)c1C[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1 C1CN(CCO1)[*:1] Clc1cccc(Cl)c1C[NH2+]C[C@H]([C@@H]1CCOC1)[*:1]
COC(=O)CNC(=O)[C@@](C)(N)C(F)(F)F FC(F)(F)[*:1] COC(=O)CNC(=O)[C@@](C)(N)[*:1]
COC(=O)CNC(=O)[C@@](C)(N)C(F)(F)F COC(=O)C[*:1] C[C@@](N)(C(=O)N[*:1])C(F)(F)F
COC(=O)CNC(=O)[C@@](C)(N)C(F)(F)F COC(=O)[*:1] C[C@@](N)(C(=O)NC[*:1])C(F)(F)F
Cc1noc(C)c1C(=O)N1CCN(C(=O)c2c(C)noc2C)[C@H](C)C1 Cc1noc(C)c1[*:1] Cc1noc(C)c1C(=O)N1CCN(C(=O)[*:1])[C@H](C)C1
Cc1noc(C)c1C(=O)N1CCN(C(=O)c2c(C)noc2C)[C@H](C)C1 Cc1noc(C)c1[*:1] Cc1noc(C)c1C(=O)N1CCN(C[C@H]1C)C(=O)[*:1]
O=C(c1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 Clc1ccc(cc1Cl)[*:1] O=C(N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1)[*:1]
O=C(c1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 c1cc(ccn1)[*:1] O=C(c1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1c1n[nH]cc1[*:1]
CCNc1nc(NC(C)(C)C)nc(N2CCOCC2)n1 CC(C)(C)N[*:1] CCNc1nc(nc(n1)[*:1])N1CCOCC1
CCNc1nc(NC(C)(C)C)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] CCNc1nc(nc(n1)[*:1])NC(C)(C)C
CCNc1nc(NC(C)(C)C)nc(N2CCOCC2)n1 CCN[*:1] CC(C)(C)Nc1nc(nc(n1)[*:1])N1CCOCC1
CCNc1nc(NC(C)(C)C)nc(N2CCOCC2)n1 CC(C)(C)[*:1] CCNc1nc(nc(n1)N1CCOCC1)N[*:1]
CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)o1 CS(=O)(=O)c1ccccc1[*:1] O=C(Nc1nnc(o1)[*:1])c1cccc(c1)N1C(=O)CCC1=O
CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)o1 O=C1CCC(=O)N1[*:1] CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2cccc(c2)[*:1])o1
CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)o1 CS(=O)(=O)[*:1] O=C(Nc1nnc(o1)-c1ccccc1[*:1])c1cccc(c1)N1C(=O)CCC1=O
CC(C)(C)CCC(=O)N(Cc1cccnc1)Cc1ccco1 CC(C)(C)C[*:1] O=C(C[*:1])N(Cc1cccnc1)Cc1ccco1
CC(C)(C)CCC(=O)N(Cc1cccnc1)Cc1ccco1 CC(C)(C)CC[*:1] O=C(N(Cc1cccnc1)Cc1ccco1)[*:1]
CC(C)(C)CCC(=O)N(Cc1cccnc1)Cc1ccco1 CC(C)(C)[*:1] O=C(CC[*:1])N(Cc1cccnc1)Cc1ccco1
CC(C)(C)CCC(=O)N(Cc1cccnc1)Cc1ccco1 c1coc(c1)[*:1] CC(C)(C)CCC(=O)N(Cc1cccnc1)C[*:1]
CC(C)(C)CCC(=O)N(Cc1cccnc1)Cc1ccco1 c1cncc(c1)C[*:1] CC(C)(C)CCC(=O)N(Cc1ccco1)[*:1]
CC(C)(C)CCC(=O)N(Cc1cccnc1)Cc1ccco1 c1cncc(c1)[*:1] CC(C)(C)CCC(=O)N(Cc1ccco1)C[*:1]
CC(C)(C)CCC(=O)N(Cc1cccnc1)Cc1ccco1 c1coc(c1)C[*:1] CC(C)(C)CCC(=O)N(Cc1cccnc1)[*:1]
O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)N1CCCCCC1)N[*:1]
CCOC(=O)CCNC(=O)c1cc(F)ccc1Br CCOC(=O)[*:1] O=C(NCC[*:1])c1cc(F)ccc1Br
CCOC(=O)CCNC(=O)c1cc(F)ccc1Br CCOC(=O)C[*:1] O=C(NC[*:1])c1cc(F)ccc1Br
O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 Clc1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)c1ccc(nn1)N1CCCCC1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 C1CCN(CC1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCN(CC1)c1ccc(nn1)[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCCC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCCC(=O)N[*:1]
O=C(CNC(=O)c1ccco1)Nc1cccc(-c2nc3ccccc3s2)c1 c1ccc2sc(nc2c1)[*:1] O=C(CNC(=O)c1ccco1)Nc1cccc(c1)[*:1]
O=C(CNC(=O)c1ccco1)Nc1cccc(-c2nc3ccccc3s2)c1 O=C(N[*:1])c1ccco1 O=C(C[*:1])Nc1cccc(c1)-c1nc2ccccc2s1
O=C(CNC(=O)c1ccco1)Nc1cccc(-c2nc3ccccc3s2)c1 O=C(NC[*:1])c1ccco1 O=C(Nc1cccc(c1)-c1nc2ccccc2s1)[*:1]
O=C(CNC(=O)c1ccco1)Nc1cccc(-c2nc3ccccc3s2)c1 c1coc(c1)[*:1] O=C(CNC(=O)[*:1])Nc1cccc(c1)-c1nc2ccccc2s1
Cn1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)c(C(C)(C)C)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)Nc2nnc(SC[*:1])s2)c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)c(C(C)(C)C)n1 c1ccc(cc1)C[*:1] Cn1cc(C(=O)Nc2nnc(S[*:1])s2)c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)c(C(C)(C)C)n1 c1ccc(cc1)CS[*:1] Cn1cc(C(=O)Nc2nnc(s2)[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)c(n1)[*:1]
CCC[C@H]1CC[C@H]([NH2+]C)[C@H](SC2COC2)C1 C1OCC1S[*:1] CCC[C@H]1CC[C@H]([NH2+]C)[C@H](C1)[*:1]
CCC[C@H]1CC[C@H]([NH2+]C)[C@H](SC2COC2)C1 CCC[*:1] C[NH2+][C@H]1CC[C@@H](C[C@H]1SC1COC1)[*:1]
CCC[C@H]1CC[C@H]([NH2+]C)[C@H](SC2COC2)C1 C1OCC1[*:1] CCC[C@H]1CC[C@H]([NH2+]C)[C@@H](C1)S[*:1]
O=C([O-])[C@H]1C[NH2+]CCN1c1ccc(Br)cn1 O=C([O-])[*:1] Brc1ccc(nc1)N1CC[NH2+]C[C@@H]1[*:1]
COc1cccc(CN(C)C(=O)NCCc2nnc3n2CCC3)c1 COc1cccc(c1)[*:1] CN(C[*:1])C(=O)NCCc1nnc2CCCn21
COc1cccc(CN(C)C(=O)NCCc2nnc3n2CCC3)c1 C1Cc2nnc(n2C1)[*:1] COc1cccc(c1)CN(C)C(=O)NCC[*:1]
CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)Oc1cccc(F)c1 CN1CCO[C@H](C1)[*:1] CC[C@H](CNC(=O)[*:1])Oc1cccc(F)c1
CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)O[*:1]
O=S(=O)(Oc1c(Cl)cccc1Cl)c1ccc(C(Cl)Cl)o1 ClC(Cl)[*:1] O=S(=O)(Oc1c(Cl)cccc1Cl)c1ccc(o1)[*:1]
O=C1CC[C@H](CNC(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)N1 O=C1CC[C@H](N1)[*:1] O=C(NC[*:1])N[C@@H]1C=C[C@H](C1)C(=O)[O-]
O=C1CC[C@H](CNC(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)N1 O=C([O-])[*:1] O=C1CC[C@H](CNC(=O)N[C@@H]2C=C[C@@H](C2)[*:1])N1
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[S@@](=O)C(C)(C)C2)c1 C=C(C)[*:1] CC1(C)CN(CC[S@]1=O)C(=O)C(=O)Nc1cccc(c1)OC[*:1]
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[S@@](=O)C(C)(C)C2)c1 C=C(C)CO[*:1] CC1(C)CN(CC[S@]1=O)C(=O)C(=O)Nc1cccc(c1)[*:1]
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[S@@](=O)C(C)(C)C2)c1 C=C(C)C[*:1] CC1(C)CN(CC[S@]1=O)C(=O)C(=O)Nc1cccc(c1)O[*:1]
Cc1cccc(CCC(=O)O[C@@H](C)C(N)=O)c1 NC(=O)[*:1] Cc1cccc(c1)CCC(=O)O[C@@H](C)[*:1]
Cc1cccc(CCC(=O)O[C@@H](C)C(N)=O)c1 C[C@@H](C(N)=O)[*:1] Cc1cccc(c1)CCC(=O)O[*:1]
CC(C)Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccco1 Fc1cccc(c1)[*:1] CC(C)Cn1c(nnc1-c1ccco1)SCC(=O)N[*:1]
CC(C)Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccco1 CC(C)C[*:1] O=C(CSc1nnc(-c2ccco2)n1[*:1])Nc1cccc(F)c1
CC(C)Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccco1 c1coc(c1)[*:1] CC(C)Cn1c(nnc1[*:1])SCC(=O)Nc1cccc(F)c1
CC(C)Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccco1 CC(C)[*:1] O=C(CSc1nnc(-c2ccco2)n1C[*:1])Nc1cccc(F)c1
C[C@@H]1CCCN(C(=O)CSc2nnc3c4ccccc4n(CC(=O)[O-])c3n2)C1 O=C([O-])[*:1] C[C@@H]1CCCN(C1)C(=O)CSc1nnc2c3ccccc3n(C[*:1])c2n1
C[C@@H]1CCCN(C(=O)CSc2nnc3c4ccccc4n(CC(=O)[O-])c3n2)C1 O=C([O-])C[*:1] C[C@@H]1CCCN(C1)C(=O)CSc1nnc2c3ccccc3n(c2n1)[*:1]
C[C@@H]1CCCN(C(=O)CSc2nnc3c4ccccc4n(CC(=O)[O-])c3n2)C1 C[C@@H]1CCCN(C1)C(=O)[*:1] O=C([O-])Cn1c2ccccc2c2nnc(nc21)SC[*:1]
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(Cl)c(Cl)c1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1CN(CCO1)[*:1])Nc1ccc(Cl)c(Cl)c1
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(NC[C@@H]1CN(CCO1)Cc1ccccc1)N[*:1]
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CN(CCO1)C[*:1])Nc1ccc(Cl)c(Cl)c1
O=C(NCc1cccnc1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 c1cncc(c1)[*:1] O=C(NC[*:1])N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1
O=C(NCc1cccnc1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 c1cncc(c1)C[*:1] O=C(N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)N[*:1]
NC(=O)[C@H]1CCN(C(=O)Cn2ccc3ccccc32)C1 NC(=O)[*:1] O=C(Cn1ccc2ccccc21)N1CC[C@@H](C1)[*:1]
O=C(NCc1ccncc1)[C@@H]1CCN(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] O=C(NCc1ccncc1)[C@@H]1CCN(C1=O)[*:1]
O=C(NCc1ccncc1)[C@@H]1CCN(c2ccc(F)cc2)C1=O c1cc(ccn1)C[*:1] O=C(N[*:1])[C@@H]1CCN(C1=O)c1ccc(F)cc1
O=C(NCc1ccncc1)[C@@H]1CCN(c2ccc(F)cc2)C1=O c1cc(ccn1)[*:1] O=C(NC[*:1])[C@@H]1CCN(C1=O)c1ccc(F)cc1
Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1C Cc1cccc(c1C)[*:1] CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1csnn1)[*:1]
Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1C CC(C)(C)NC(=O)[*:1] Cc1cccc(c1C)N(C(=O)c1csnn1)[C@H](c1ccccc1)[*:1]
Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1C c1snnc1[*:1] Cc1cccc(c1C)N(C(=O)[*:1])[C@H](C(=O)NC(C)(C)C)c1ccccc1
Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)[*:1]
Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1C CC(C)(C)[*:1] Cc1cccc(c1C)N(C(=O)c1csnn1)[C@H](C(=O)N[*:1])c1ccccc1
COc1cc(CN2CCO[C@@H](c3ccccc3F)C2)cc(Cl)c1OC Fc1ccccc1[*:1] COc1cc(cc(Cl)c1OC)CN1CCO[C@@H](C1)[*:1]
CCCNC(=O)O[C@H]1CC[C@@H]([NH3+])C1 CCC[*:1] [NH3+][C@@H]1CC[C@@H](C1)OC(=O)N[*:1]
COc1ccccc1/C=C1/Sc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2N(C)C1=O COc1ccccc1[*:1] CN1C(=O)C(=C[*:1])Sc2ccc(cc21)C(=O)N[C@@H]1CCCc2ccccc21
C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O c1ccc(cc1)C[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ncc2c3ccccc3n(c2c1=O)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O c1ccc(cc1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ncc2c3ccccc3n(C[*:1])c2c1=O
Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cccc(c1)O[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cccc(c1)OC[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cccc(OCc2ccccc2)c1 Cc1c(Cl)cccc1[*:1] O=C(CNC(=O)c1cccc(c1)OCc1ccccc1)N[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cccc(c1)[*:1]
Cc1cnc(CNCc2c[nH+]cn2C2CC2)cn1 C1CC1[*:1] Cc1cnc(cn1)CNCc1c[nH+]cn1[*:1]
CN(/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 O=[N+]([O-])[*:1] CN(/N=C/c1ccc(o1)[*:1])c1ccccc1
CN(/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1 c1ccc(cc1)[*:1] CN(/N=C/c1ccc(o1)[N+](=O)[O-])[*:1]
Cc1nc(-c2cccc(C(=O)Nc3nccn(C)c3=O)c2)cs1 Cc1nc(cs1)[*:1] Cn1ccnc(NC(=O)c2cccc(c2)[*:1])c1=O
CCN(CC)C(=O)Cn1cc(SCc2ccc(C)cc2)c2ccccc21 Cc1ccc(cc1)C[*:1] CCN(CC)C(=O)Cn1cc(S[*:1])c2ccccc21
CCN(CC)C(=O)Cn1cc(SCc2ccc(C)cc2)c2ccccc21 CCN(CC)C(=O)C[*:1] Cc1ccc(cc1)CSc1cn(c2ccccc12)[*:1]
CCN(CC)C(=O)Cn1cc(SCc2ccc(C)cc2)c2ccccc21 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)Cn1cc(SC[*:1])c2ccccc21
CCN(CC)C(=O)Cn1cc(SCc2ccc(C)cc2)c2ccccc21 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)CSc1cn(C[*:1])c2ccccc12
COCCN1CNC(=NS(=O)(=O)c2ccc(C)cc2)NC1 COCC[*:1] Cc1ccc(cc1)S(=O)(=O)N=C1NCN(CN1)[*:1]
COCCN1CNC(=NS(=O)(=O)c2ccc(C)cc2)NC1 Cc1ccc(cc1)[*:1] COCCN1CNC(=NS(=O)(=O)[*:1])NC1
COCCN1CNC(=NS(=O)(=O)c2ccc(C)cc2)NC1 COC[*:1] Cc1ccc(cc1)S(=O)(=O)N=C1NCN(CN1)C[*:1]
O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=c1c2[nH]c3ccc(Br)cc3c2ncn1N=C[*:1]
N#C[C@@H](C(N)=O)[C@@H](c1ccccc1)c1c(-c2ccccc2)nn(C(N)=S)c1O NC(=O)[*:1] N#C[C@@H]([C@@H](c1ccccc1)c1c(nn(C(N)=S)c1O)-c1ccccc1)[*:1]
N#C[C@@H](C(N)=O)[C@@H](c1ccccc1)c1c(-c2ccccc2)nn(C(N)=S)c1O c1ccc(cc1)[*:1] N#C[C@@H](C(N)=O)[C@@H](c1ccccc1)c1c(nn(C(N)=S)c1O)[*:1]
N#C[C@@H](C(N)=O)[C@@H](c1ccccc1)c1c(-c2ccccc2)nn(C(N)=S)c1O c1ccc(cc1)[*:1] N#C[C@@H](C(N)=O)[C@@H](c1c(nn(C(N)=S)c1O)-c1ccccc1)[*:1]
C[NH+](C)CCOc1ccc(NC(=O)c2nc[nH]n2)cc1 C[NH+](C)CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1nc[nH]n1
C[NH+](C)CCOc1ccc(NC(=O)c2nc[nH]n2)cc1 c1nc(n[nH]1)[*:1] C[NH+](C)CCOc1ccc(cc1)NC(=O)[*:1]
O=[N+]([O-])c1ccc([C@H]2OCN3COC[C@@H]23)cc1 O=[N+]([O-])[*:1] c1cc(ccc1[C@H]1OCN2COC[C@@H]12)[*:1]
C[C@H]1CCCN(C(=O)CNc2ccccc2OC[C@@H]2CCCCO2)C1 C1CC[C@@H](C[*:1])OC1 C[C@H]1CCCN(C1)C(=O)CNc1ccccc1O[*:1]
C[C@H]1CCCN(C(=O)CNc2ccccc2OC[C@@H]2CCCCO2)C1 C1CC[C@@H](CO[*:1])OC1 C[C@H]1CCCN(C1)C(=O)CNc1ccccc1[*:1]
C[C@H]1CCCN(C(=O)CNc2ccccc2OC[C@@H]2CCCCO2)C1 C1CC[C@H](OC1)[*:1] C[C@H]1CCCN(C1)C(=O)CNc1ccccc1OC[*:1]
O=C(NCCCS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(NCCCS(=O)(=O)c1ccccc1)C(=O)N[*:1]
O=C(NCCCS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(F)c1F c1ccc(cc1)[*:1] O=C(NCCCS(=O)(=O)[*:1])C(=O)Nc1cccc(F)c1F
Cc1cc(C)c(S(=O)(=O)N2CCO[C@H](c3ccccc3)C2)cc1C c1ccc(cc1)[*:1] Cc1cc(C)c(cc1C)S(=O)(=O)N1CCO[C@H](C1)[*:1]
COC[C@H](C)NC(=O)CNC(=O)c1ccccc1Cl COC[C@H](C)[*:1] O=C(CNC(=O)c1ccccc1Cl)N[*:1]
COC[C@H](C)NC(=O)CNC(=O)c1ccccc1Cl COC[*:1] C[C@H](NC(=O)CNC(=O)c1ccccc1Cl)[*:1]
CCOc1cc(C=O)cc(I)c1O[C@@H](C)CC CCO[*:1] CC[C@H](C)Oc1c(I)cc(C=O)cc1[*:1]
CCOc1cc(C=O)cc(I)c1O[C@@H](C)CC CC[C@H](C)O[*:1] CCOc1cc(C=O)cc(I)c1[*:1]
CCOc1cc(C=O)cc(I)c1O[C@@H](C)CC CC[C@H](C)[*:1] CCOc1cc(C=O)cc(I)c1O[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(OC)c(OC)c1 COC(=O)[*:1] COc1ccc(cc1OC)S(=O)(=O)N1C[C@H](O)C[C@H]1[*:1]
CCn1nc(CC(C)C)cc1C(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O CC(C)[*:1] CCn1nc(cc1C(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O)C[*:1]
CCn1nc(CC(C)C)cc1C(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O CC(C)C[*:1] CCn1nc(cc1C(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O)[*:1]
Cc1csc(N(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N(C(=O)C1C[C@@H](C(N)=O)N(N=1)c1ccccc1)[*:1]
Cc1csc(N(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c2ccccc2)n1 NC(=O)[*:1] Cc1csc(n1)N(C(=O)C1C[C@@H](N(N=1)c1ccccc1)[*:1])c1ccccc1
Cc1csc(N(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N(C(=O)C1C[C@@H](C(N)=O)N(N=1)[*:1])c1ccccc1
Cc1csc(N(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c2ccccc2)n1 Cc1csc(n1)[*:1] NC(=O)[C@@H]1CC(=NN1c1ccccc1)C(=O)N(c1ccccc1)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH+](C)C CC[S@](=O)[*:1] C[C@@H](C(=O)N[C@H]1CCCC[C@H]1[*:1])[NH+](C)C
C[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1CCCS(C)(=O)=O CS(=O)(=O)[*:1] C[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1CCC[*:1]
C[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1CCCS(C)(=O)=O CS(=O)(=O)CC[*:1] C[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1C[*:1]
C[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1CCCS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1CC[*:1]
CN(C)C(=O)CN(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CN(C)C(=O)CN(C)C(=O)[C@@H]1CCC[C@H](C1)[*:1]
CN(C)C(=O)CN(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 CN(C)C(=O)[*:1] CN(C[*:1])C(=O)[C@@H]1CCC[C@@H](C1)C(F)(F)F
CN(C)C(=O)CN(C)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 CN(C)C(=O)C[*:1] CN(C(=O)[C@@H]1CCC[C@@H](C1)C(F)(F)F)[*:1]
CS(=O)(=O)NCc1ccc(C(=O)N[C@H]2CCc3c(O)cccc32)o1 CS(=O)(=O)N[*:1] O=C(N[C@H]1CCc2c(O)cccc21)c1ccc(C[*:1])o1
CS(=O)(=O)NCc1ccc(C(=O)N[C@H]2CCc3c(O)cccc32)o1 CS(=O)(=O)NC[*:1] O=C(N[C@H]1CCc2c(O)cccc21)c1ccc(o1)[*:1]
CCOc1c(Cl)cc(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)cc1OC c1cc([nH]n1)[*:1] CCOc1c(Cl)cc(cc1OC)C(=O)NCc1ccc(cc1)[*:1]
CCOc1c(Cl)cc(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)NCc1ccc(cc1)-c1ccn[nH]1
C[C@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)Cc1cccs1 c1csc(c1)C[*:1] C[C@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)[*:1]
C[C@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)Cc1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)C[*:1]
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2c(F)cccc2F)cc1OC Fc1cccc(F)c1[*:1] COc1ccc(cc1OC)C[C@@H]1c2cc(OC)c(cc2CCN1C(=O)N[*:1])OC
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2c(F)cccc2F)cc1OC COc1ccc(cc1OC)[*:1] COc1cc2CCN(C(=O)Nc3c(F)cccc3F)[C@H](C[*:1])c2cc1OC
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2c(F)cccc2F)cc1OC COc1ccc(cc1OC)C[*:1] COc1cc2CCN(C(=O)Nc3c(F)cccc3F)[C@@H](c2cc1OC)[*:1]
COc1cccc(OC)c1OCc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] COc1cccc(OC)c1OCc1cccc(c1)[*:1]
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C)[*:1]
CC(C)CC1(C(=O)N2CCC[C@H](C(N)=S)C2)CCCC1 CC(C)C[*:1] NC(=S)[C@H]1CCCN(C1)C(=O)C1(CCCC1)[*:1]
CC(C)CC1(C(=O)N2CCC[C@H](C(N)=S)C2)CCCC1 CC(C)[*:1] NC(=S)[C@H]1CCCN(C1)C(=O)C1(CCCC1)C[*:1]
CC(C)CC1(C(=O)N2CCC[C@H](C(N)=S)C2)CCCC1 NC(=S)[*:1] CC(C)CC1(CCCC1)C(=O)N1CCC[C@H](C1)[*:1]
COc1cc(OC)c2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O Brc1ccc(cc1)[*:1] COc1cc(OC)c2C(=O)C(=C[*:1])Oc2c1
CCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 CCC[*:1] O=C1C[C@H](CN1Cc1ccccc1)c1nc2ccccc2n1[*:1]
CCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)C[*:1] CCCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
CCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 c1ccc(cc1)[*:1] CCCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)C[*:1]
COc1ccc(OC)c(CNC(=O)Cn2nc(-n3c(C)ccc3C)c3c(C)cc(C)nc32)c1 Cc1ccc(C)n1[*:1] COc1ccc(OC)c(c1)CNC(=O)Cn1nc(c2c(C)cc(C)nc21)[*:1]
COc1ccc(OC)c(CNC(=O)Cn2nc(-n3c(C)ccc3C)c3c(C)cc(C)nc32)c1 COc1ccc(OC)c(c1)[*:1] Cc1cc(C)c2c(nn(CC(=O)NC[*:1])c2n1)-n1c(C)ccc1C
COc1ccc(OC)c(CNC(=O)Cn2nc(-n3c(C)ccc3C)c3c(C)cc(C)nc32)c1 COc1ccc(OC)c(c1)C[*:1] Cc1cc(C)c2c(nn(CC(=O)N[*:1])c2n1)-n1c(C)ccc1C
CCN1CCC([NH+](C)Cc2nnc(C3CCC3)o2)CC1 C1CC(C1)[*:1] CCN1CCC(CC1)[NH+](C)Cc1nnc(o1)[*:1]
CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)c1nc(C)cs1 Cc1cc(ccc1F)[*:1] CC[C@@H](NC(=O)c1ccc(cc1)NS(=O)(=O)[*:1])c1nc(C)cs1
CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(F)c(C)c1)[*:1]
CCCCCc1c(C)nn(C(=O)Cn2ccc3ccccc32)c1C CCCCC[*:1] Cc1nn(C(=O)Cn2ccc3ccccc32)c(C)c1[*:1]
CCCCCc1c(C)nn(C(=O)Cn2ccc3ccccc32)c1C CCCC[*:1] Cc1nn(C(=O)Cn2ccc3ccccc32)c(C)c1C[*:1]
CCCCCc1c(C)nn(C(=O)Cn2ccc3ccccc32)c1C CCC[*:1] Cc1nn(C(=O)Cn2ccc3ccccc32)c(C)c1CC[*:1]
CCCN(C/C=C/c1ccccc1)C(=O)C[C@@H]1C(=O)N=C(C)N=C1C CCC[*:1] CC1=NC(=O)[C@@H](CC(=O)N(C/C=C/c2ccccc2)[*:1])C(C)=N1
CCCN(C/C=C/c1ccccc1)C(=O)C[C@@H]1C(=O)N=C(C)N=C1C c1ccc(cc1)[*:1] CCCN(CC=C[*:1])C(=O)C[C@@H]1C(=O)N=C(C)N=C1C
CCCN(C/C=C/c1ccccc1)C(=O)C[C@@H]1C(=O)N=C(C)N=C1C C(=C[*:1])c1ccccc1 CCCN(C[*:1])C(=O)C[C@@H]1C(=O)N=C(C)N=C1C
O=C(NC1CC1)C(=O)N1CCN(Cc2cccc(-c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] O=C(NC1CC1)C(=O)N1CCN(CC1)Cc1cccc(c1)[*:1]
O=C(NC1CC1)C(=O)N1CCN(Cc2cccc(-c3ccccc3)c2)CC1 C1CC1[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)Cc1cccc(c1)-c1ccccc1
O=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccc(Cl)c(c1)[*:1]
O=S(=O)(c1ccc(OCCBr)cc1)N1CCOCC1 BrCC[*:1] O=S(=O)(c1ccc(cc1)O[*:1])N1CCOCC1
O=S(=O)(c1ccc(OCCBr)cc1)N1CCOCC1 BrCCO[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCOCC1
COC(=O)Nc1ccc(OC(=O)c2ccc(C(F)(F)F)nc2C)cc1 COC(=O)N[*:1] Cc1nc(ccc1C(=O)Oc1ccc(cc1)[*:1])C(F)(F)F
COC(=O)Nc1ccc(OC(=O)c2ccc(C(F)(F)F)nc2C)cc1 FC(F)(F)[*:1] COC(=O)Nc1ccc(cc1)OC(=O)c1ccc(nc1C)[*:1]
O=C(NCCC(c1ccccc1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(NCCC(c1ccccc1)[*:1])N[C@H]1CCS(=O)(=O)C1
CCCCN1C(=O)[C@](O)(Cc2ccncc2)c2ccccc21 CCCC[*:1] O=C1N(c2ccccc2[C@@]1(O)Cc1ccncc1)[*:1]
CCCCN1C(=O)[C@](O)(Cc2ccncc2)c2ccccc21 c1cc(ccn1)C[*:1] CCCCN1C(=O)[C@](O)(c2ccccc21)[*:1]
CCCCN1C(=O)[C@](O)(Cc2ccncc2)c2ccccc21 CCC[*:1] O=C1N(C[*:1])c2ccccc2[C@@]1(O)Cc1ccncc1
CCCCN1C(=O)[C@](O)(Cc2ccncc2)c2ccccc21 c1cc(ccn1)[*:1] CCCCN1C(=O)[C@](O)(C[*:1])c2ccccc21
Cc1cccc(C)c1OCCn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 Cc1cccc(C)c1OC[*:1] O=C1C[C@H](CN1c1ccc2OCOc2c1)c1nc2ccccc2n1C[*:1]
Cc1cccc(C)c1OCCn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 Cc1cccc(C)c1[*:1] O=C1C[C@H](CN1c1ccc2OCOc2c1)c1nc2ccccc2n1CCO[*:1]
Cc1cccc(C)c1OCCn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 c1cc2OCOc2cc1[*:1] Cc1cccc(C)c1OCCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cccc(C)c1OCCn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 Cc1cccc(C)c1OCC[*:1] O=C1C[C@H](CN1c1ccc2OCOc2c1)c1nc2ccccc2n1[*:1]
Cc1cccc(C)c1OCCn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 Cc1cccc(C)c1O[*:1] O=C1C[C@H](CN1c1ccc2OCOc2c1)c1nc2ccccc2n1CC[*:1]
C[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)NCc1ccc(F)cc1 FC(F)(F)[*:1] C[C@H](Sc1nnc(n1N)[*:1])C(=O)NCc1ccc(F)cc1
C[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@H](Sc1nnc(n1N)C(F)(F)F)C(=O)N[*:1]
C[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1N)C(F)(F)F)C(=O)NC[*:1]
O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)N1CCc2ccccc21 Clc1ccc(cc1)[*:1] O=C(C=C[*:1])OCC(=O)N1CCc2ccccc21
C[C@@H]1COCCN1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 C[C@@H]1COCCN1C[*:1] O=C(Nc1ccc2OC3(CCCC3)Oc2c1)[*:1]
CC(C)[NH+](CC(=O)Nc1ccc(Cl)cc1)C1CCC1 C1CC(C1)[*:1] CC(C)[NH+](CC(=O)Nc1ccc(Cl)cc1)[*:1]
CC(C)[NH+](CC(=O)Nc1ccc(Cl)cc1)C1CCC1 CC(C)[*:1] O=C(C[NH+](C1CCC1)[*:1])Nc1ccc(Cl)cc1
NC(=O)c1cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)ccc1F NC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])N[C@@H](c1ccc(Cl)cc1)C1CC1
NC(=O)c1cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)ccc1F Clc1ccc(cc1)[*:1] NC(=O)c1cc(ccc1F)NC(=O)N[C@@H](C1CC1)[*:1]
NC(=O)c1cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)ccc1F C1CC1[*:1] NC(=O)c1cc(ccc1F)NC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
COc1ccc(OCCn2c(=O)oc(=O)c3cccc(Cl)c32)cc1 COc1ccc(cc1)[*:1] O=c1oc(=O)n(CCO[*:1])c2c(Cl)cccc12
Cc1ncsc1CC[NH+](C)Cc1ccc(N(C)C)[nH+]c1 Cc1ncsc1[*:1] CN(C)c1ccc(c[nH+]1)C[NH+](C)CC[*:1]
Cc1ncsc1CC[NH+](C)Cc1ccc(N(C)C)[nH+]c1 CN(C)[*:1] Cc1ncsc1CC[NH+](C)Cc1ccc([nH+]c1)[*:1]
C[C@@H](CCO)S[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N OCC[*:1] C[C@@H](S[C@H]1C[C@@H](CC[C@@H]1C#N)c1ccccc1)[*:1]
C[C@@H](CCO)S[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N c1ccc(cc1)[*:1] C[C@@H](CCO)S[C@H]1C[C@H](CC[C@@H]1C#N)[*:1]
C[C@@H](CCO)S[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N C[C@@H](CCO)S[*:1] N#C[C@H]1CC[C@H](C[C@@H]1[*:1])c1ccccc1
C[C@@H](CCO)S[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C#N C[C@@H](CCO)[*:1] N#C[C@H]1CC[C@H](C[C@@H]1S[*:1])c1ccccc1
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2cccc(Cl)c12)C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2cccc(Cl)c12)[*:1]
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2cccc(Cl)c12)C(=O)[O-] CC(C)(C)[*:1] O=C(N[C@@H](Cc1c[nH]c2cccc(Cl)c12)C(=O)[O-])O[*:1]
O=C(CCOc1ccc([N+](=O)[O-])cc1)N1CCCc2cc(Br)cc(F)c21 O=[N+]([O-])[*:1] O=C(CCOc1ccc(cc1)[*:1])N1CCCc2cc(Br)cc(F)c21
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cccnc2)cc1 c1cncc(c1)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cccnc2)cc1 CCN(CC)S(=O)(=O)[*:1] C[C@@H](NC(=O)c1cccnc1)c1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCCNC1=O Clc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N[C@@H]1CCCNC1=O
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCCNC1=O CC(C)[*:1] O=C(N[C@H](C(=O)N[C@@H]1CCCNC1=O)[*:1])c1ccccc1Cl
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CCCNC1=O O=C1NCCC[C@H]1[*:1] CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[*:1]
COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 COCC[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1ccc(Cl)s1
COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 COC[*:1] C[C@H]([NH2+][C@H](C)C[*:1])c1ccc(Cl)s1
O=C(C[NH2+]C1CC1)NC[C@H]1CN2CCC[C@@H]2CO1 C1CC1[*:1] O=C(C[NH2+][*:1])NC[C@H]1CN2CCC[C@@H]2CO1
Cc1ccc(C(=O)[C@H]2N=C(N)O[C@@H]2c2ccccc2)cc1 Cc1ccc(cc1)[*:1] NC1=N[C@H](C(=O)[*:1])[C@H](O1)c1ccccc1
Cc1ccc(C(=O)[C@H]2N=C(N)O[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)[C@H]1N=C(N)O[C@H]1[*:1]
COc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(C)cc1 COc1ccccc1[*:1] Cc1ccc(cc1)[C@@H]1Nn2c(C)nnc2S[C@@H]1C(=O)N[*:1]
COc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)CCc1cccc(c1)[N+](=O)[O-])[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCc1cccc(c1)[*:1]
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)[O-] c1cncc(c1)[*:1] COc1cc(/C=N/NC(=O)[*:1])ccc1OCC(=O)[O-]
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)[O-] O=C([O-])CO[*:1] COc1cc(/C=N/NC(=O)c2cccnc2)ccc1[*:1]
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)[O-] O=C([O-])[*:1] COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC[*:1]
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)[O-] O=C([O-])C[*:1] COc1cc(/C=N/NC(=O)c2cccnc2)ccc1O[*:1]
CCc1cc2c(N/N=C/c3ccccc3)ncnc2s1 c1ccc(cc1)[*:1] CCc1cc2c(ncnc2s1)NN=C[*:1]
Cc1cc(CNC(=O)Cc2csc(Cc3ccccc3)n2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(Cc1csc(Cc2ccccc2)n1)NC[*:1]
Cc1cc(CNC(=O)Cc2csc(Cc3ccccc3)n2)c(C)o1 c1ccc(cc1)C[*:1] Cc1cc(CNC(=O)Cc2csc(n2)[*:1])c(C)o1
Cc1cc(CNC(=O)Cc2csc(Cc3ccccc3)n2)c(C)o1 Cc1cc(C[*:1])c(C)o1 O=C(Cc1csc(Cc2ccccc2)n1)N[*:1]
Cc1cc(CNC(=O)Cc2csc(Cc3ccccc3)n2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(CNC(=O)Cc2csc(C[*:1])n2)c(C)o1
CSc1ccc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cc1 CC(C)(C)[*:1] CSc1ccc(cc1)CN(C)C(=O)c1c(C)nc([nH]c1=O)[*:1]
CSc1ccc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cc1 CSc1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1C(=O)N(C)C[*:1])C(C)(C)C
CN(CC(=O)N[C@@H](CO)c1ccccc1F)c1ncnc2[nH]cnc12 Fc1ccccc1[*:1] CN(CC(=O)N[C@@H](CO)[*:1])c1ncnc2[nH]cnc12
O=C(NC(C1CC1)C1CC1)c1ccc(Oc2ccccc2)cc1 C1CC1C(C1CC1)[*:1] O=C(N[*:1])c1ccc(cc1)Oc1ccccc1
O=C(NC(C1CC1)C1CC1)c1ccc(Oc2ccccc2)cc1 C1CC1[*:1] O=C(NC(C1CC1)[*:1])c1ccc(cc1)Oc1ccccc1
O=C(NC(C1CC1)C1CC1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NC(C1CC1)C1CC1)c1ccc(cc1)O[*:1]
O=C(NC(C1CC1)C1CC1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(NC(C1CC1)C1CC1)c1ccc(cc1)[*:1]
COc1cc(F)cc(CNC(=O)NCCc2ccsc2)c1 c1cc(cs1)C[*:1] COc1cc(F)cc(c1)CNC(=O)NC[*:1]
COc1cc(F)cc(CNC(=O)NCCc2ccsc2)c1 c1cc(cs1)CC[*:1] COc1cc(F)cc(c1)CNC(=O)N[*:1]
COc1cc(F)cc(CNC(=O)NCCc2ccsc2)c1 c1cc(cs1)[*:1] COc1cc(F)cc(c1)CNC(=O)NCC[*:1]
Cc1nc(C)c(CCC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c(=O)[nH]1 FC(F)(F)[*:1] Cc1nc(C)c(CCC(=O)N(C)Cc2ccc(cc2)[*:1])c(=O)[nH]1
O=C(N/N=C/c1ccccc1F)c1cccc2ccccc12 Fc1ccccc1[*:1] O=C(NN=C[*:1])c1cccc2ccccc12
CCCC(=O)Nc1cccc(NC(=O)N(CC)C[C@H](C)C#N)c1 CCC[*:1] CCN(C[C@H](C)C#N)C(=O)Nc1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(NC(=O)N(CC)C[C@H](C)C#N)c1 CCCC(=O)N[*:1] CCN(C[C@H](C)C#N)C(=O)Nc1cccc(c1)[*:1]
O=C1C[C@H](c2ccc(OCc3ccccc3)cc2)c2c(n3ccsc3nc2=O)N1 c1ccc(cc1)CO[*:1] O=C1C[C@H](c2ccc(cc2)[*:1])c2c(N1)n1ccsc1nc2=O
O=C1C[C@H](c2ccc(OCc3ccccc3)cc2)c2c(n3ccsc3nc2=O)N1 c1ccc(cc1)C[*:1] O=C1C[C@H](c2ccc(cc2)O[*:1])c2c(N1)n1ccsc1nc2=O
O=C1C[C@H](c2ccc(OCc3ccccc3)cc2)c2c(n3ccsc3nc2=O)N1 c1ccc(cc1)[*:1] O=C1C[C@H](c2ccc(cc2)OC[*:1])c2c(N1)n1ccsc1nc2=O
CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C CC(C)(C)[*:1] CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C[*:1])nn1C
CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C CC(C)(C)C[*:1] CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(nn1C)[*:1]
CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C CC(C)[*:1] Cn1nc(cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[*:1])CC(C)(C)C
COCCn1c(C)cn2c3c(=O)n(CC[NH+]4CCCCC4)c(=O)n(C)c3nc12 COCC[*:1] Cc1cn2c3c(=O)n(CC[NH+]4CCCCC4)c(=O)n(C)c3nc2n1[*:1]
COCCn1c(C)cn2c3c(=O)n(CC[NH+]4CCCCC4)c(=O)n(C)c3nc12 COC[*:1] Cc1cn2c3c(=O)n(CC[NH+]4CCCCC4)c(=O)n(C)c3nc2n1C[*:1]
Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCN(c4cnccn4)C3)n2)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(nc(n1)[C@@H]1CCN(C1)c1cnccn1)N[*:1]
Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCN(c4cnccn4)C3)n2)n1 Cc1cc(C)nc(n1)N[*:1] Cc1cc(nc(n1)[C@@H]1CCN(C1)c1cnccn1)[*:1]
Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCN(c4cnccn4)C3)n2)n1 c1cnc(cn1)[*:1] Cc1cc(C)nc(n1)Nc1cc(C)nc(n1)[C@@H]1CCN(C1)[*:1]
CNC(=O)c1c(NC(=O)[C@H](C)SC)sc2c1-c1ccccc1C2 CNC(=O)[*:1] CS[C@@H](C)C(=O)Nc1sc2Cc3ccccc3-c2c1[*:1]
CNC(=O)c1c(NC(=O)[C@H](C)SC)sc2c1-c1ccccc1C2 CS[C@@H](C)C(=O)N[*:1] CNC(=O)c1c(sc2Cc3ccccc3-c21)[*:1]
Cc1ccccc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)NC[C@@H]1CN(CCO1)C[*:1]
Cc1ccccc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 Cc1ccccc1[*:1] O=C(NC[C@@H]1CN(CCO1)Cc1ccccc1)[*:1]
Cc1ccccc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] Cc1ccccc1C(=O)NC[C@@H]1CN(CCO1)[*:1]
COC(=O)Nc1cc(NS(=O)(=O)c2ccc(Cl)cc2C)ccc1F Cc1cc(Cl)ccc1[*:1] COC(=O)Nc1cc(ccc1F)NS(=O)(=O)[*:1]
COC(=O)Nc1cc(NS(=O)(=O)c2ccc(Cl)cc2C)ccc1F COC(=O)N[*:1] Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)c(c1)[*:1]
Cc1nsc(NC(=O)c2ccc(N)cc2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NC(=O)c2ccc(N)cc2)c1[*:1]
C[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] C[C@H]1CCN(C(=O)c2cn(C)nc2[*:1])[C@@H]1C
CCN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1 c1cc(ccn1)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(Cl)cc1
CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCn1nc(C)c(Cl)c1C NC(=O)[*:1] CC[NH2+][C@@]1(CCC[C@H]1CCn1nc(C)c(Cl)c1C)[*:1]
COc1ccc(NC(=O)c2nc(-c3c(F)cccc3OC)sc2C)cc1Cl COc1cccc(F)c1[*:1] COc1ccc(cc1Cl)NC(=O)c1nc(sc1C)[*:1]
COc1ccc(NC(=O)c2nc(-c3c(F)cccc3OC)sc2C)cc1Cl COc1ccc(cc1Cl)[*:1] COc1cccc(F)c1-c1nc(C(=O)N[*:1])c(C)s1
CCCN1CC[NH+](C2CCC(C)(C)CC2)CC1 CCC[*:1] CC1(C)CCC(CC1)[NH+]1CCN(CC1)[*:1]
Cn1ccc2c(C(=O)N3CCN(c4ccccc4OCC[NH+](C)C)CC3)cccc21 Cn1ccc2c(cccc21)[*:1] C[NH+](C)CCOc1ccccc1N1CCN(CC1)C(=O)[*:1]
Cc1cnc(CNC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)s1 Cc1cnc(s1)[*:1] CC1(C)[C@H]2CN(C[C@H]21)C(=O)NC[*:1]
CCCCc1c(C)nc2nc(SCC(=O)c3cnn(C)c3)nn2c1C CCC[*:1] Cc1nc2nc(nn2c(C)c1C[*:1])SCC(=O)c1cnn(C)c1
CCCCc1c(C)nc2nc(SCC(=O)c3cnn(C)c3)nn2c1C CCCC[*:1] Cc1nc2nc(nn2c(C)c1[*:1])SCC(=O)c1cnn(C)c1
CCCCc1c(C)nc2nc(SCC(=O)c3cnn(C)c3)nn2c1C Cn1cc(cn1)[*:1] CCCCc1c(C)nc2nc(nn2c1C)SCC(=O)[*:1]
CCCCc1c(C)nc2nc(SCC(=O)c3cnn(C)c3)nn2c1C Cn1cc(cn1)C(=O)[*:1] CCCCc1c(C)nc2nc(nn2c1C)SC[*:1]
O=C(NCc1ccccc1Cn1cccn1)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(C[*:1])s1 O=C(NCc1ccccc1Cn1cccn1)N1CCN(CC1)[*:1]
O=C(NCc1ccccc1Cn1cccn1)N1CCN(Cc2ccc(Cl)s2)CC1 c1cnn(c1)C[*:1] O=C(NCc1ccccc1[*:1])N1CCN(CC1)Cc1ccc(Cl)s1
O=C(NCc1ccccc1Cn1cccn1)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] O=C(NCc1ccccc1Cn1cccn1)N1CCN(CC1)C[*:1]
O=C(NCc1ccccc1Cn1cccn1)N1CCN(Cc2ccc(Cl)s2)CC1 c1cnn(c1)[*:1] O=C(NCc1ccccc1C[*:1])N1CCN(CC1)Cc1ccc(Cl)s1
O=C(Nc1nc2ccccc2s1)N1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1nc2ccccc2s1)N1CCC[C@H](C1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)c1occc1C c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)c1occc1C)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)c1occc1C Cc1ccoc1[*:1] Cc1ccc(cc1NC(=O)[*:1])-c1ncco1
O=C(CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(NCCC[*:1])N1CCC2=c3ccccc3=[NH+][C@@H]2C1
O=C(CCCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(NCC[*:1])N1CCC2=c3ccccc3=[NH+][C@@H]2C1
CC(=O)Nc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1 CC(=O)N[*:1] O=C1CCCCN1C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1 O=C1CCCCN1[*:1] CC(=O)Nc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
Cc1ccc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@H](Nc1ccc(cc1)N1CCCC1=O)c1ccccc1
Cc1ccc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 O=C1CCCN1[*:1] Cc1ccc(cc1)NC(=O)[C@H](Nc1ccc(cc1)[*:1])c1ccccc1
Cc1ccc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H](Nc1ccc(cc1)N1CCCC1=O)[*:1]
Cc1ccc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C1CCCN1c1ccc(cc1)N[C@H](c1ccccc1)[*:1]
CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 CC(C)[*:1] CS(=O)(=O)N1CCC[C@H]1C(=O)N(Cc1ccccc1)c1nc2c(cccc2s1)[*:1]
CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 c1ccc(cc1)C[*:1] CC(C)c1cccc2sc(nc12)N(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[*:1]
CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 c1ccc(cc1)[*:1] CC(C)c1cccc2sc(nc12)N(C[*:1])C(=O)[C@@H]1CCCN1S(C)(=O)=O
CC(C)[C@H](NC(=O)c1ccn2cncc2c1)C(=O)NC1CCCC1 CC(C)[*:1] O=C(N[C@H](C(=O)NC1CCCC1)[*:1])c1ccn2cncc2c1
CC(C)[C@H](NC(=O)c1ccn2cncc2c1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CC(C)[C@H](NC(=O)c1ccn2cncc2c1)C(=O)N[*:1]
CC(C)[C@H](NC(=O)c1ccn2cncc2c1)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] CC(C)[C@H](NC(=O)c1ccn2cncc2c1)[*:1]
COc1cc(/C=C2/S/C(=N/c3ccc(O)cc3)NC2=O)ccc1O Oc1ccc(cc1)[*:1] COc1cc(/C=C2/SC(=N[*:1])NC2=O)ccc1O
Cc1nn(-c2ccc(C(=O)N(CC(N)=O)C(C)C)cc2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] CC(C)N(CC(N)=O)C(=O)c1ccc(cc1)[*:1]
Cc1nn(-c2ccc(C(=O)N(CC(N)=O)C(C)C)cc2)c(C)c1Cl CC(C)[*:1] Cc1nn(-c2ccc(cc2)C(=O)N(CC(N)=O)[*:1])c(C)c1Cl
Cc1nn(-c2ccc(C(=O)N(CC(N)=O)C(C)C)cc2)c(C)c1Cl NC(=O)C[*:1] Cc1nn(-c2ccc(cc2)C(=O)N(C(C)C)[*:1])c(C)c1Cl
Cc1nn(-c2ccc(C(=O)N(CC(N)=O)C(C)C)cc2)c(C)c1Cl NC(=O)[*:1] Cc1nn(-c2ccc(cc2)C(=O)N(C[*:1])C(C)C)c(C)c1Cl
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cncn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCC1)c1cncn1[*:1]
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2Cc2cccnc2)c1 c1cc2OCCOc2cc1[*:1] CCOc1cccc(c1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1cccnc1
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2Cc2cccnc2)c1 c1cncc(c1)[*:1] CCOc1cccc(c1)[C@@H]1C(C(=O)c2ccc3OCCOc3c2)=C([O-])C(=O)N1C[*:1]
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2Cc2cccnc2)c1 CCO[*:1] O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(c1)[*:1])c1ccc2OCCOc2c1
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2Cc2cccnc2)c1 c1cncc(c1)C[*:1] CCOc1cccc(c1)[C@@H]1C(C(=O)c2ccc3OCCOc3c2)=C([O-])C(=O)N1[*:1]
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2Cc2cccnc2)c1 CCOc1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1[*:1])c1ccc2OCCOc2c1
CC(C)(C)[C@@H](NC(=O)Cn1ccnc1)c1cccs1 c1cn(cn1)C[*:1] CC(C)(C)[C@@H](NC(=O)[*:1])c1cccs1
CC(C)(C)[C@@H](NC(=O)Cn1ccnc1)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@@H](NC(=O)Cn1ccnc1)[*:1]
CC(C)(C)[C@@H](NC(=O)Cn1ccnc1)c1cccs1 CC(C)(C)[*:1] O=C(Cn1ccnc1)N[C@@H](c1cccs1)[*:1]
CC(C)(C)[C@@H](NC(=O)Cn1ccnc1)c1cccs1 c1cn(cn1)[*:1] CC(C)(C)[C@@H](NC(=O)C[*:1])c1cccs1
C1=C(CN2Cc3ccccc3C[C@H]2c2ccccc2)COCC1 c1ccc(cc1)[*:1] C1CCOCC=1CN1Cc2ccccc2C[C@@H]1[*:1]
CC[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@H](NC(=O)c1ccc(cc1)NC(C)=O)[*:1]
CC[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1noc(C)n1 CC(=O)N[*:1] CC[C@H](NC(=O)c1ccc(cc1)[*:1])c1noc(C)n1
C[C@@]1(C2CCN(C(=O)/C=C/c3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccncc2)C1=O c1cc(ccn1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)C1CCN(CC1)C(=O)/C=C/c1cc(F)cc(F)c1
C[C@@]1(C2CCN(C(=O)/C=C/c3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccncc2)C1=O Fc1cc(F)cc(C=C[*:1])c1 C[C@]1(NC(=O)N(Cc2ccncc2)C1=O)C1CCN(CC1)C(=O)[*:1]
C[C@@]1(C2CCN(C(=O)/C=C/c3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccncc2)C1=O c1cc(ccn1)C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])C1CCN(CC1)C(=O)/C=C/c1cc(F)cc(F)c1
C[C@@]1(C2CCN(C(=O)/C=C/c3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccncc2)C1=O Fc1cc(F)cc(c1)[*:1] C[C@]1(NC(=O)N(Cc2ccncc2)C1=O)C1CCN(CC1)C(=O)C=C[*:1]
C[C@@H](NC(=O)c1ccccc1NC(=O)OCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1NC(=O)OCc1ccccc1)[*:1]
C[C@@H](NC(=O)c1ccccc1NC(=O)OCc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)c1ccccc1NC(=O)O[*:1])c1ccccc1
C[C@@H](NC(=O)c1ccccc1NC(=O)OCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1NC(=O)OC[*:1])c1ccccc1
C[C@@H](NC(=O)c1ccccc1NC(=O)OCc1ccccc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(Nc1ccccc1C(=O)N[*:1])OCc1ccccc1
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1nn(Cc2ccccc2)c(=O)c2ccccc12 O=[N+]([O-])c1ccccc1[*:1] O=C(NN=C[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1nn(Cc2ccccc2)c(=O)c2ccccc12 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccccc1[*:1])c1nn(Cc2ccccc2)c(=O)c2ccccc12
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1nn(Cc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1nn(C[*:1])c(=O)c2ccccc12
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1nn(Cc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)C[*:1] O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1nn(c(=O)c2ccccc12)[*:1]
C[C@H](NC(=O)N(C)[C@H]1CCC[C@@H](C)C1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)N(C)[C@H]1CCC[C@@H](C)C1)[*:1]
CC1CCC(CN(C)C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1 CC1CCC(CC1)C[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)C(=O)N(C)[*:1]
CC1CCC(CN(C)C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1 CC1CCC(CC1)[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)C(=O)N(C)C[*:1]
CC1CCC(CN(C)C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1 CN(C)C(=O)C[*:1] CC1CCC(CC1)CN(C)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CC1CCC(CN(C)C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1 CN(C)C(=O)[*:1] CC1CCC(CC1)CN(C)C(=O)C(=O)Nc1ccc(cc1)C[*:1]
Cc1ccc(=O)n([C@H](C)[C@@H](C)O)n1 C[C@@H](O)[*:1] Cc1ccc(=O)n(n1)[C@H](C)[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(CC1)[*:1]
O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(CC1)C[*:1]
Cc1cc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NC[*:1])c1ccc(cc1)S(=O)(=O)NC1CC1
Cc1cc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(C)o1 Cc1cc(C[*:1])c(C)o1 O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NC1CC1
Cc1cc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(C)o1 C1CC1[*:1] Cc1cc(CNC(=O)c2ccc(cc2)S(=O)(=O)N[*:1])c(C)o1
Cc1cc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(C)o1 O=S(=O)(NC1CC1)[*:1] Cc1cc(CNC(=O)c2ccc(cc2)[*:1])c(C)o1
COC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 COC(=O)[*:1] O=c1c2cn[nH]c2nc(SC[*:1])n1-c1ccccc1
COC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 COC(=O)CS[*:1] O=c1c2cn[nH]c2nc(n1-c1ccccc1)[*:1]
COC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 c1ccc(cc1)[*:1] COC(=O)CSc1nc2[nH]ncc2c(=O)n1[*:1]
COC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 COC(=O)C[*:1] O=c1c2cn[nH]c2nc(S[*:1])n1-c1ccccc1
COc1ccc(NC(=O)N(C)Cc2ncnn2C)cc1 Cn1ncnc1[*:1] COc1ccc(cc1)NC(=O)N(C)C[*:1]
Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1C Cc1ccc(cc1C)O[*:1] C[C@H](C(=O)NNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2)[*:1]
Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2
Cc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1C O=C([O-])[*:1] Cc1ccc(cc1C)O[C@H](C)C(=O)NNC(=O)[C@@H]1[C@@H]([C@@H]2C=C[C@H]1C2)[*:1]
C[C@@H](OC(=O)C(C)(C)F)c1cccc(C#N)c1 CC(C)(F)[*:1] C[C@@H](OC(=O)[*:1])c1cccc(C#N)c1
CS(=O)(=O)Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 CS(=O)(=O)C[*:1] O=S(=O)(Nc1ccccc1[*:1])c1ccc2CCCCc2c1
CS(=O)(=O)Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 CS(=O)(=O)[*:1] O=S(=O)(Nc1ccccc1C[*:1])c1ccc2CCCCc2c1
CNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1 CNC(=O)[*:1] O=C(COc1ccc(Br)cc1Br)Nc1ccc(cc1)[*:1]
CC(=O)Nc1cccc([C@H](C)NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c1 CC(=O)N[*:1] Cc1ccc(cc1C)-c1cnc(CCC(=O)N[C@@H](C)c2cccc(c2)[*:1])o1
CC(=O)Nc1cccc([C@H](C)NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c1 Cc1ccc(cc1C)[*:1] CC(=O)Nc1cccc(c1)[C@H](C)NC(=O)CCc1ncc(o1)[*:1]
CC(=O)Nc1cccc([C@H](C)NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c1 CC(=O)Nc1cccc(c1)[*:1] Cc1ccc(cc1C)-c1cnc(CCC(=O)N[C@@H](C)[*:1])o1
Cc1n[nH]c(-c2cccc(CNC(=O)[C@H]3C[C@@]34CCCc3ccccc34)c2)n1 Cc1n[nH]c(n1)[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1C[C@@]12CCCc1ccccc12
CC(C)OC(=O)[C@H]1[C@@H]2C(=O)N(C3CCCCC3)C[C@]23C=C[C@H]1O3 CC(C)[*:1] O=C(O[*:1])[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)C1CCCCC1
CC(C)OC(=O)[C@H]1[C@@H]2C(=O)N(C3CCCCC3)C[C@]23C=C[C@H]1O3 C1CCC(CC1)[*:1] CC(C)OC(=O)[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
CC(C)OC(=O)[C@H]1[C@@H]2C(=O)N(C3CCCCC3)C[C@]23C=C[C@H]1O3 CC(C)OC(=O)[*:1] O=C1[C@H]2[C@@H]([C@H]3C=C[C@]2(CN1C1CCCCC1)O3)[*:1]
Cc1nc(C2(NC(=O)c3ccc(OCC(F)F)nc3)CCC2)no1 FC(F)CO[*:1] Cc1nc(no1)C1(CCC1)NC(=O)c1ccc(nc1)[*:1]
Cc1nc(C2(NC(=O)c3ccc(OCC(F)F)nc3)CCC2)no1 FC(F)C[*:1] Cc1nc(no1)C1(CCC1)NC(=O)c1ccc(nc1)O[*:1]
Cc1nc(C2(NC(=O)c3ccc(OCC(F)F)nc3)CCC2)no1 FC(F)[*:1] Cc1nc(no1)C1(CCC1)NC(=O)c1ccc(nc1)OC[*:1]
Cc1nc(C2(NC(=O)c3ccc(OCC(F)F)nc3)CCC2)no1 Cc1nc(no1)[*:1] O=C(NC1(CCC1)[*:1])c1ccc(nc1)OCC(F)F
FC(F)(F)C1=Nc2ccccc2NC2(CCC2)C1 FC(F)(F)[*:1] c1ccc2NC3(CCC3)CC(=Nc2c1)[*:1]
CC(C)[C@H](C#N)OC(=O)CCOC1CCOCC1 CC(C)[*:1] N#C[C@H](OC(=O)CCOC1CCOCC1)[*:1]
CC(C)[C@H](C#N)OC(=O)CCOC1CCOCC1 C1CC(CCO1)[*:1] CC(C)[C@H](C#N)OC(=O)CCO[*:1]
O=C(Cn1nnc(-c2ccccc2Cl)n1)NC[C@H]1COc2ccccc2O1 Clc1ccccc1[*:1] O=C(Cn1nnc(n1)[*:1])NC[C@H]1COc2ccccc2O1
CC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(OCCO)c1)CC2 OCCO[*:1] CC(=O)N1CCc2[nH]cnc2C12CC[NH+](CC2)Cc1cccc(c1)[*:1]
CC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(OCCO)c1)CC2 OCC[*:1] CC(=O)N1CCc2[nH]cnc2C12CC[NH+](CC2)Cc1cccc(c1)O[*:1]
COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3cnc(C)cn3)C2)nn1 Cc1cnc(cn1)[*:1] COCCNC(=O)c1cn(C[C@@H]2CCCN(C2)C(=O)[*:1])nn1
COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3cnc(C)cn3)C2)nn1 COCCNC(=O)[*:1] Cc1cnc(cn1)C(=O)N1CCC[C@H](C1)Cn1cc(nn1)[*:1]
COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3cnc(C)cn3)C2)nn1 COCC[*:1] Cc1cnc(cn1)C(=O)N1CCC[C@H](C1)Cn1cc(nn1)C(=O)N[*:1]
COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3cnc(C)cn3)C2)nn1 COC[*:1] Cc1cnc(cn1)C(=O)N1CCC[C@H](C1)Cn1cc(nn1)C(=O)NC[*:1]
O=C(c1cccc(OCC(F)(F)F)n1)N1CC[NH+](C2CC2)CC1 FC(F)(F)CO[*:1] O=C(c1cccc(n1)[*:1])N1CC[NH+](CC1)C1CC1
O=C(c1cccc(OCC(F)(F)F)n1)N1CC[NH+](C2CC2)CC1 FC(F)(F)C[*:1] O=C(c1cccc(n1)O[*:1])N1CC[NH+](CC1)C1CC1
O=C(c1cccc(OCC(F)(F)F)n1)N1CC[NH+](C2CC2)CC1 FC(F)(F)[*:1] O=C(c1cccc(n1)OC[*:1])N1CC[NH+](CC1)C1CC1
O=C(c1cccc(OCC(F)(F)F)n1)N1CC[NH+](C2CC2)CC1 C1CC1[*:1] O=C(c1cccc(n1)OCC(F)(F)F)N1CC[NH+](CC1)[*:1]
COc1cc(F)ccc1NC(=O)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(F)ccc1NC(=O)C[C@H](O)[*:1]
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C C1CCC(CC1)[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1ccccc1C(=O)N[*:1]
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C COc1ccc(cc1C)[*:1] O=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C O=C(NC1CCCCC1)[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1ccccc1[*:1]
Cc1ccncc1NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C Cc1ccncc1[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)C(=O)N[*:1]
COc1ccccc1CNC(=O)COC(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] COc1ccccc1CNC(=O)COC(=O)[*:1]
O=C(c1cccc2ccccc12)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)[*:1] O=C(c1cccc2ccccc12)N1N=C(C[C@]1(O)[*:1])C(F)F
O=C(c1cccc2ccccc12)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)[*:1] O=C(c1cccc2ccccc12)N1N=C(C[C@@]1(O)C(F)F)[*:1]
COc1ccc(CNC(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1N1CCCCC1=O)NC(=O)N[*:1]
COc1ccc(CNC(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1N1CCCCC1=O)NC(=O)NC[*:1]
COc1ccc(CNC(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 O=C1CCCCN1[*:1] COc1ccc(cc1)CNC(=O)Nc1ccc(C)c(c1)[*:1]
O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1nnc(o1)[C@H]1CC(=O)N(C1)c1ccccc1)c1ccc(cc1)[*:1]
O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[C@H]1CC(=O)N(C1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
CC[NH+]1CCC(CCNC(=O)N2CCN(c3ccccc3OC)CC2)CC1 COc1ccccc1[*:1] CC[NH+]1CCC(CCNC(=O)N2CCN(CC2)[*:1])CC1
O=C(COc1ccccc1)NCC(=O)Nc1ccc2nc(C3CC3)oc2c1 c1ccc(cc1)O[*:1] O=C(C[*:1])NCC(=O)Nc1ccc2nc(oc2c1)C1CC1
O=C(COc1ccccc1)NCC(=O)Nc1ccc2nc(C3CC3)oc2c1 c1ccc(cc1)[*:1] O=C(CO[*:1])NCC(=O)Nc1ccc2nc(oc2c1)C1CC1
O=C(COc1ccccc1)NCC(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] O=C(COc1ccccc1)NCC(=O)Nc1ccc2nc(oc2c1)[*:1]
O=C(COc1ccccc1)NCC(=O)Nc1ccc2nc(C3CC3)oc2c1 c1ccc(cc1)OC[*:1] O=C(CNC(=O)[*:1])Nc1ccc2nc(oc2c1)C1CC1
Cc1nc2c(-c3cccs3)c(C)nn2c(NCC[NH+](C)C)c1C c1csc(c1)[*:1] Cc1nc2c(c(C)nn2c(NCC[NH+](C)C)c1C)[*:1]
Cc1ccc(Cl)c(OS(=O)(=O)CC2CCC2)c1 C1CC(C1)[*:1] Cc1ccc(Cl)c(c1)OS(=O)(=O)C[*:1]
Cc1ccc(Cl)c(OS(=O)(=O)CC2CCC2)c1 C1CC(C1)C[*:1] Cc1ccc(Cl)c(c1)OS(=O)(=O)[*:1]
C[C@@H](CNS(C)(=O)=O)OC(=O)C1(c2ccc(F)cc2F)CCCC1 CS(=O)(=O)NC[*:1] C[C@@H](OC(=O)C1(CCCC1)c1ccc(F)cc1F)[*:1]
C[C@@H](CNS(C)(=O)=O)OC(=O)C1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] C[C@@H](CNS(C)(=O)=O)OC(=O)C1(CCCC1)[*:1]
C[C@@H](CNS(C)(=O)=O)OC(=O)C1(c2ccc(F)cc2F)CCCC1 CS(=O)(=O)N[*:1] C[C@@H](C[*:1])OC(=O)C1(CCCC1)c1ccc(F)cc1F
CC(C)(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)[nH]n1 Fc1ccc(cc1)[*:1] CC(C)(C)c1cc([nH]n1)C(=O)N1CCC[C@@H](C1)C(=O)[*:1]
CC(C)(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)[nH]n1 CC(C)(C)[*:1] O=C(c1ccc(F)cc1)[C@H]1CCCN(C1)C(=O)c1cc(n[nH]1)[*:1]
Cc1ccc(-c2nc(CN3CCc4cncnc4C3)no2)cc1 Cc1ccc(cc1)[*:1] c1ncc2CCN(Cc3noc(n3)[*:1])Cc2n1
c1cncc(CNc2cc(-c3ccnc4[nH]ncc34)c3cc[nH]c3n2)c1 c1cncc(c1)C[*:1] c1cc(-c2cc(nc3[nH]ccc23)N[*:1])c2cn[nH]c2n1
c1cncc(CNc2cc(-c3ccnc4[nH]ncc34)c3cc[nH]c3n2)c1 c1cncc(c1)[*:1] c1cc(-c2cc(nc3[nH]ccc23)NC[*:1])c2cn[nH]c2n1
c1cncc(CNc2cc(-c3ccnc4[nH]ncc34)c3cc[nH]c3n2)c1 c1cncc(c1)CN[*:1] c1cc(-c2cc(nc3[nH]ccc23)[*:1])c2cn[nH]c2n1
COCc1cccc(C(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)c1 COCc1cccc(c1)[*:1] COc1ccc(cc1F)CN1CCN(CC1)C(=O)[*:1]
COCc1cccc(C(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)c1 COC[*:1] COc1ccc(cc1F)CN1CCN(CC1)C(=O)c1cccc(c1)[*:1]
COCc1cccc(C(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)c1 COc1ccc(cc1F)[*:1] COCc1cccc(c1)C(=O)N1CCN(CC1)C[*:1]
O=C(CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(Nc1cccc(c1)[N+](=O)[O-])N1CCC(CC1)[*:1]
O=C(CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 O=[N+]([O-])[*:1] O=C(CC1CCN(CC1)C(=O)Nc1cccc(c1)[*:1])N1CCCC1
O=C(CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])N1CCC(CC1)C[*:1]
CC(C)[C@@H](NC(=O)[C@H](C)n1cncn1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)[C@@H](NC(=O)[C@H](C)n1cncn1)c1ccc(cc1)[*:1]
CC(C)[C@@H](NC(=O)[C@H](C)n1cncn1)c1ccc(C(C)(C)C)cc1 CC(C)[*:1] C[C@@H](C(=O)N[C@@H](c1ccc(cc1)C(C)(C)C)[*:1])n1cncn1
CC(C)[C@@H](NC(=O)[C@H](C)n1cncn1)c1ccc(C(C)(C)C)cc1 c1ncn(n1)[*:1] CC(C)[C@@H](NC(=O)[C@H](C)[*:1])c1ccc(cc1)C(C)(C)C
Cc1cc(C)cc(CCC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)CCC(=O)[*:1]
COC(=O)N1CCC(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 C1CC1[*:1] COC(=O)N1CCC(CC1)NC(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
COC(=O)N1CCC(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 FC(F)(F)[*:1] COC(=O)N1CCC(CC1)NC(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1
COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCc3ccco3)nc2c1 O=C(NCc1ccco1)[*:1] COc1ccc2c(cc(nc2c1)SC[*:1])-c1ccccc1
COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCc3ccco3)nc2c1 c1ccc(cc1)[*:1] COc1ccc2c(cc(nc2c1)SCC(=O)NCc1ccco1)[*:1]
COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCc3ccco3)nc2c1 c1coc(c1)C[*:1] COc1ccc2c(cc(nc2c1)SCC(=O)N[*:1])-c1ccccc1
COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCc3ccco3)nc2c1 c1coc(c1)[*:1] COc1ccc2c(cc(nc2c1)SCC(=O)NC[*:1])-c1ccccc1
C/C=C/C=C/C(=O)Nc1ccc(C)c(-n2cnnn2)c1 CC=C[*:1] Cc1ccc(cc1-n1cnnn1)NC(=O)C=C[*:1]
C/C=C/C=C/C(=O)Nc1ccc(C)c(-n2cnnn2)c1 c1nnnn1[*:1] C/C=C/C=C/C(=O)Nc1ccc(C)c(c1)[*:1]
C/C=C/C=C/C(=O)Nc1ccc(C)c(-n2cnnn2)c1 C/C=C/C=C[*:1] Cc1ccc(cc1-n1cnnn1)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1C Cc1ccc(cc1C)[*:1] CC1(C)COc2cc(ccc2NC1=O)NS(=O)(=O)[*:1]
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(C)cc2)NC(=S)N1 Clc1ccc(cc1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1ccc(C)cc1
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(C)cc2)NC(=S)N1 Cc1ccc(cc1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1ccc(Cl)cc1)[*:1]
COc1cccc(S[C@H]2CC[C@@]([NH3+])(C(=O)[O-])C2)c1 O=C([O-])[*:1] COc1cccc(c1)S[C@H]1CC[C@@]([NH3+])(C1)[*:1]
CC[C@@H](C)N(CC(=O)[O-])C(=O)NCc1cscc1C O=C([O-])C[*:1] CC[C@@H](C)N(C(=O)NCc1cscc1C)[*:1]
CC[C@@H](C)N(CC(=O)[O-])C(=O)NCc1cscc1C O=C([O-])[*:1] CC[C@@H](C)N(C[*:1])C(=O)NCc1cscc1C
CC[C@@H](C)N(CC(=O)[O-])C(=O)NCc1cscc1C CC[C@@H](C)[*:1] Cc1cscc1CNC(=O)N(CC(=O)[O-])[*:1]
CC[C@@H](C)N(CC(=O)[O-])C(=O)NCc1cscc1C Cc1cscc1[*:1] CC[C@@H](C)N(CC(=O)[O-])C(=O)NC[*:1]
CCCc1c(C[NH2+]C2CC2)cnn1-c1cccc(C)c1 C1CC1[*:1] CCCc1c(cnn1-c1cccc(C)c1)C[NH2+][*:1]
CCCc1c(C[NH2+]C2CC2)cnn1-c1cccc(C)c1 CCC[*:1] Cc1cccc(c1)-n1ncc(C[NH2+]C2CC2)c1[*:1]
Cc1nnc(SCC[C@H]2CCC[C@]2([NH2+]C(C)C)C(=O)[O-])o1 O=C([O-])[*:1] Cc1nnc(o1)SCC[C@H]1CCC[C@@]1([NH2+]C(C)C)[*:1]
Cc1nnc(SCC[C@H]2CCC[C@]2([NH2+]C(C)C)C(=O)[O-])o1 Cc1nnc(o1)S[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H]1CC[*:1])C(=O)[O-]
Cc1nnc(SCC[C@H]2CCC[C@]2([NH2+]C(C)C)C(=O)[O-])o1 CC(C)[*:1] Cc1nnc(o1)SCC[C@H]1CCC[C@]1([NH2+][*:1])C(=O)[O-]
Cc1nnc(SCC[C@H]2CCC[C@]2([NH2+]C(C)C)C(=O)[O-])o1 Cc1nnc(o1)[*:1] CC(C)[NH2+][C@@]1(CCC[C@@H]1CCS[*:1])C(=O)[O-]
Cc1nc(-n2cccc2)sc1C(=O)NCC#CCOc1ccccc1C(N)=O NC(=O)c1ccccc1[*:1] Cc1nc(sc1C(=O)NCC#CCO[*:1])-n1cccc1
Cc1nc(-n2cccc2)sc1C(=O)NCC#CCOc1ccccc1C(N)=O c1ccn(c1)[*:1] Cc1nc(sc1C(=O)NCC#CCOc1ccccc1C(N)=O)[*:1]
Cc1nc(-n2cccc2)sc1C(=O)NCC#CCOc1ccccc1C(N)=O NC(=O)[*:1] Cc1nc(sc1C(=O)NCC#CCOc1ccccc1[*:1])-n1cccc1
O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1C1CCCC1 FC(F)(F)[*:1] O=C1CC[C@@H](CC[NH2+]Cc2cccc(c2)[*:1])N1C1CCCC1
O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1C1CCCC1 C1CCC(C1)[*:1] O=C1CC[C@@H](CC[NH2+]Cc2cccc(c2)C(F)(F)F)N1[*:1]
C[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)[C@@H](C)[*:1]
N#C/C=C(\c1ccccc1)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] N#C/C=C(\c1ccccc1)N1CCCN(CC1)C(=O)[*:1]
N#C/C=C(\c1ccccc1)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 c1ccc(cc1)[*:1] N#C/C=C(/N1CCCN(CC1)C(=O)Cc1cccc(F)c1)[*:1]
N#C/C=C(\c1ccccc1)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] N#C/C=C(\c1ccccc1)N1CCCN(CC1)C(=O)C[*:1]
CC1=C[C@@H](c2c(C)sc(C)c2S(=O)(=O)NC2CCCCCC2)N=N1 C1CCCC(CC1)[*:1] CC1=C[C@H](N=N1)c1c(C)sc(C)c1S(=O)(=O)N[*:1]
CNC(=O)C[C@H](C[NH3+])Nc1ccccc1 CNC(=O)[*:1] [NH3+]C[C@@H](C[*:1])Nc1ccccc1
CNC(=O)C[C@H](C[NH3+])Nc1ccccc1 CNC(=O)C[*:1] [NH3+]C[C@H](Nc1ccccc1)[*:1]
CC[C@H]([NH2+][C@@H]1CCCCC1(C)C)/C(N)=N/O N/C(=N\O)[*:1] CC[C@H]([NH2+][C@@H]1CCCCC1(C)C)[*:1]
O=C(c1ccccc1)N1CCN(C(=O)c2nnn[n-]2)CC1 c1ccc(cc1)[*:1] O=C(c1nnn[n-]1)N1CCN(CC1)C(=O)[*:1]
COCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 COCCC[*:1] C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][*:1]
COCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 COC[*:1] C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[*:1]
COCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 COCC[*:1] C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[*:1]
O=C(CCc1ccc2nc[nH]c2c1)NCc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCc1ccc2nc[nH]c2c1)NC[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 CC(C)OC(=O)[*:1] CC1N=C2S[C@@H](C)C(=O)N2[C@H](C=1[*:1])c1ccc(cc1)C(C)C
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 CC(C)[*:1] CC1N=C2S[C@@H](C)C(=O)N2[C@H](C=1C(=O)OC(C)C)c1ccc(cc1)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 CC(C)c1ccc(cc1)[*:1] CC1N=C2S[C@@H](C)C(=O)N2[C@@H](C=1C(=O)OC(C)C)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 CC(C)[*:1] CC1N=C2S[C@@H](C)C(=O)N2[C@H](C=1C(=O)O[*:1])c1ccc(cc1)C(C)C
CN(Cc1ccc(O)cc1)C(=O)N[C@@H](c1nccs1)C1CC1 c1csc(n1)[*:1] CN(Cc1ccc(O)cc1)C(=O)N[C@@H](C1CC1)[*:1]
CN(Cc1ccc(O)cc1)C(=O)N[C@@H](c1nccs1)C1CC1 C1CC1[*:1] CN(Cc1ccc(O)cc1)C(=O)N[C@@H](c1nccs1)[*:1]
CN(Cc1ccc(O)cc1)C(=O)N[C@@H](c1nccs1)C1CC1 Oc1ccc(cc1)[*:1] CN(C[*:1])C(=O)N[C@@H](c1nccs1)C1CC1
Cn1cnc(C[NH2+][C@H]2CCCSc3ccccc32)n1 Cn1cnc(n1)[*:1] c1ccc2c(c1)SCCC[C@@H]2[NH2+]C[*:1]
COCc1nc2cc(NC(=O)c3csc(C)n3)ccc2o1 Cc1nc(cs1)[*:1] COCc1nc2cc(ccc2o1)NC(=O)[*:1]
COCc1nc2cc(NC(=O)c3csc(C)n3)ccc2o1 COC[*:1] Cc1nc(cs1)C(=O)Nc1ccc2oc(nc2c1)[*:1]
CCc1nn(CC(=O)NCc2ccc(Cl)cc2)c(=O)c2cc3c(OC)cccc3n12 Clc1ccc(cc1)[*:1] CCc1nn(CC(=O)NC[*:1])c(=O)c2cc3c(cccc3n12)OC
CCc1nn(CC(=O)NCc2ccc(Cl)cc2)c(=O)c2cc3c(OC)cccc3n12 Clc1ccc(cc1)C[*:1] CCc1nn(CC(=O)N[*:1])c(=O)c2cc3c(cccc3n12)OC
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NC2(CC(N)=O)CCC2)cc1 NC(=O)C[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)C(=O)NC1(CCC1)[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NC2(CC(N)=O)CCC2)cc1 NC(=O)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)C(=O)NC1(CCC1)C[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NC2(CC(N)=O)CCC2)cc1 NC(=O)CC1(CCC1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)C(=O)N[*:1]
CC1(C)CCN(C(=O)CC(C)(C)C(=O)[O-])C1 O=C([O-])[*:1] CC1(C)CCN(C1)C(=O)CC(C)(C)[*:1]
O[C@@H](Cc1nc2cccc(Cl)c2s1)C(F)(F)F FC(F)(F)[*:1] O[C@@H](Cc1nc2cccc(Cl)c2s1)[*:1]
COC(=O)C1=C(N)Oc2cc(N)ccc2[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)C1=C(N)Oc2cc(N)ccc2[C@H]1[*:1]
COC(=O)C1=C(N)Oc2cc(N)ccc2[C@@H]1c1cccc(Cl)c1 COC(=O)[*:1] NC1Oc2cc(N)ccc2[C@@H](C=1[*:1])c1cccc(Cl)c1
C[C@H]1CN(S(=O)(=O)NCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)NCCNc1ccc(cc1)[*:1]
Cc1cc(C)c(CS(=O)(=O)CC(=O)N(C)C2CCC(C)CC2)c(C)c1 CC1CCC(CC1)[*:1] Cc1cc(C)c(CS(=O)(=O)CC(=O)N(C)[*:1])c(C)c1
Cc1ccc(C)c(NC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c1 Fc1cccc(c1)[*:1] Cc1ccc(C)c(c1)NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(C)c(NC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1cccc(F)c1)N[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)N1CCNC(=O)C1(C)C O=C([O-])[*:1] C[C@H]1[C@@H](CCN1C(=O)N1CCNC(=O)C1(C)C)[*:1]
C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1)[*:1]
C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1Cl C[C@@H](c1ccccc1Cl)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1Cl C(=C[*:1])c1ccccc1 C[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1Cl
C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1Cl c1ccc(cc1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)C=C[*:1])c1ccccc1Cl
COCc1nc(C)cc(N(C)CCc2ccccc2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N(C)CCc1ccccc1
COCc1nc(C)cc(N(C)CCc2ccccc2)n1 c1ccc(cc1)[*:1] COCc1nc(C)cc(n1)N(C)CC[*:1]
O=C(NCc1ccc(-c2ccn[nH]2)cc1)N1CCC[C@H]1C1CCCCC1 c1cc([nH]n1)[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCC[C@H]1C1CCCCC1
O=C(NCc1ccc(-c2ccn[nH]2)cc1)N1CCC[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(NCc1ccc(cc1)-c1ccn[nH]1)N1CCC[C@@H]1[*:1]
CCC[NH2+][C@H](c1ccco1)[C@H](C)OC CO[C@@H](C)[*:1] CCC[NH2+][C@H](c1ccco1)[*:1]
CCC[NH2+][C@H](c1ccco1)[C@H](C)OC CCC[*:1] CO[C@@H](C)[C@H]([NH2+][*:1])c1ccco1
Cc1cc(C)n(-c2ccc(CNC(=O)N[C@@H](C)C3CC3)cn2)n1 C[C@@H](C1CC1)[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)CNC(=O)N[*:1]
Cc1cc(C)n(-c2ccc(CNC(=O)N[C@@H](C)C3CC3)cn2)n1 C1CC1[*:1] Cc1cc(C)n(n1)-c1ccc(cn1)CNC(=O)N[C@@H](C)[*:1]
Cc1cc(C)n(-c2ccc(CNC(=O)N[C@@H](C)C3CC3)cn2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](NC(=O)NCc1ccc(nc1)[*:1])C1CC1
N#Cc1cccc(COc2ccc(NC(=O)NC3CCCC3)cc2)c1 N#Cc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)OC[*:1])NC1CCCC1
N#Cc1cccc(COc2ccc(NC(=O)NC3CCCC3)cc2)c1 C1CCC(C1)[*:1] N#Cc1cccc(c1)COc1ccc(cc1)NC(=O)N[*:1]
Cn1c2c(c(C#N)c1NC(=O)CN1CCOCC1)CCCC2 C1CN(CCO1)[*:1] Cn1c2CCCCc2c(C#N)c1NC(=O)C[*:1]
Cn1c2c(c(C#N)c1NC(=O)CN1CCOCC1)CCCC2 C1CN(CCO1)C[*:1] Cn1c2CCCCc2c(C#N)c1NC(=O)[*:1]
CN(CCOc1ccc(F)cc1Cl)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(CCOc1ccc(F)cc1Cl)[C@@H]1CCC[C@H]1[*:1]
Cn1cnn(-c2ccc(NC(=O)C(=O)NCC3CC3)cc2)c1=O C1CC1C[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)C(=O)N[*:1])c1=O
Cn1cnn(-c2ccc(NC(=O)C(=O)NCC3CC3)cc2)c1=O Cn1cnn(c1=O)[*:1] O=C(NCC1CC1)C(=O)Nc1ccc(cc1)[*:1]
Cn1cnn(-c2ccc(NC(=O)C(=O)NCC3CC3)cc2)c1=O C1CC1[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)C(=O)NC[*:1])c1=O
O=c1ccc(-c2ccc(Cl)cc2)nn1C1CCCCC1 C1CCC(CC1)[*:1] O=c1ccc(nn1[*:1])-c1ccc(Cl)cc1
N#C[C@@H](NC(=O)N1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] N#C[C@@H](NC(=O)N1CCCCC1)[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nccn1C Cn1ccnc1[*:1] Cc1c(Cl)cccc1NC(=O)CNC(=O)CS[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)CSc1nccn1C Cn1ccnc1S[*:1] Cc1c(Cl)cccc1NC(=O)CNC(=O)C[*:1]
CC[C@@H]([NH2+][C@H](c1ccccc1)C(C)C)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H]([NH2+][C@H](c1ccccc1)C(C)C)[*:1]
CC[C@@H]([NH2+][C@H](c1ccccc1)C(C)C)c1nc(C)cs1 c1ccc(cc1)[*:1] CC[C@@H]([NH2+][C@H](C(C)C)[*:1])c1nc(C)cs1
CC[C@@H]([NH2+][C@H](c1ccccc1)C(C)C)c1nc(C)cs1 CC(C)[*:1] CC[C@@H]([NH2+][C@H](c1ccccc1)[*:1])c1nc(C)cs1
COCCSc1nc2ccc(C)cc2c(=O)n1C COCCS[*:1] Cc1ccc2nc(n(C)c(=O)c2c1)[*:1]
COCCSc1nc2ccc(C)cc2c(=O)n1C COCC[*:1] Cc1ccc2nc(S[*:1])n(C)c(=O)c2c1
COCCSc1nc2ccc(C)cc2c(=O)n1C COC[*:1] Cc1ccc2nc(SC[*:1])n(C)c(=O)c2c1
CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)NCCc4ccccc4)nc(N)c23)CO1 c1ccc(cc1)CC[*:1] CC[C@@]1(C)Cc2c(CO1)sc1nc(nc(N)c21)SCC(=O)N[*:1]
CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)NCCc4ccccc4)nc(N)c23)CO1 c1ccc(cc1)C[*:1] CC[C@@]1(C)Cc2c(CO1)sc1nc(nc(N)c21)SCC(=O)NC[*:1]
CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)NCCc4ccccc4)nc(N)c23)CO1 c1ccc(cc1)[*:1] CC[C@@]1(C)Cc2c(CO1)sc1nc(nc(N)c21)SCC(=O)NCC[*:1]
CC(C)c1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)nn1C O=[N+]([O-])[*:1] CC(C)c1cc(nn1C)C(=O)NNC(=O)c1cccc(c1)[*:1]
CC(C)c1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)NNC(=O)c1cccc(c1)[N+](=O)[O-]
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(OCC(N)=O)c1 NC(=O)CO[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(c1)[*:1]
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(OCC(N)=O)c1 NC(=O)C[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(c1)O[*:1]
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(OCC(N)=O)c1 NC(=O)[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(c1)OC[*:1]
COc1ccc(CNC(=O)NCc2ccc(C)cc2N(C)C)cn1 COc1ccc(cn1)[*:1] Cc1ccc(CNC(=O)NC[*:1])c(c1)N(C)C
COc1ccc(CNC(=O)NCc2ccc(C)cc2N(C)C)cn1 CN(C)[*:1] COc1ccc(cn1)CNC(=O)NCc1ccc(C)cc1[*:1]
Cc1cc(C[C@@H](C)[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@H](C[*:1])[NH2+]C1CCN(CC1)c1ccc(Cl)cc1
Cc1cc(C[C@@H](C)[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)n[nH]1 Clc1ccc(cc1)[*:1] Cc1cc(C[C@@H](C)[NH2+]C2CCN(CC2)[*:1])n[nH]1
Cc1cc(C[C@@H](C)[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@@H]([NH2+]C1CCN(CC1)c1ccc(Cl)cc1)[*:1]
N#Cc1ccc(NC(=O)C2CCC2)cc1Cl C1CC(C1)[*:1] N#Cc1ccc(cc1Cl)NC(=O)[*:1]
CC[NH2+][C@@H](COC)[C@@H]1CN(CC)CCO1 COC[*:1] CC[NH2+][C@@H]([C@@H]1CN(CC)CCO1)[*:1]
CC[C@@H](C)[C@](C)(O)CCOC COC[*:1] CC[C@@H](C)[C@](C)(O)C[*:1]
Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCC[NH+]3CCCCC3)C2)nn1 Cc1ccccc1[*:1] O=C(NCC[NH+]1CCCCC1)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
Cc1cc(Nc2nc3c(c(OCC(=O)[O-])n2)CCCC3)ccc1Br O=C([O-])CO[*:1] Cc1cc(ccc1Br)Nc1nc2CCCCc2c(n1)[*:1]
Cc1cc(Nc2nc3c(c(OCC(=O)[O-])n2)CCCC3)ccc1Br O=C([O-])C[*:1] Cc1cc(ccc1Br)Nc1nc2CCCCc2c(n1)O[*:1]
Cc1cc(Nc2nc3c(c(OCC(=O)[O-])n2)CCCC3)ccc1Br O=C([O-])[*:1] Cc1cc(ccc1Br)Nc1nc2CCCCc2c(n1)OC[*:1]
Cc1cc(Nc2nc3c(c(OCC(=O)[O-])n2)CCCC3)ccc1Br Cc1cc(ccc1Br)[*:1] O=C([O-])COc1nc(nc2CCCCc21)N[*:1]
COc1cccc(-c2cc(CC3(O)CC[NH+](C/C=C/c4ccccc4)CC3)on2)c1 C(=C/c1ccccc1)\C[*:1] COc1cccc(c1)-c1cc(CC2(O)CC[NH+](CC2)[*:1])on1
COc1cccc(-c2cc(CC3(O)CC[NH+](C/C=C/c4ccccc4)CC3)on2)c1 C(=C[*:1])c1ccccc1 COc1cccc(c1)-c1cc(CC2(O)CC[NH+](CC2)C[*:1])on1
COc1cccc(-c2cc(CC3(O)CC[NH+](C/C=C/c4ccccc4)CC3)on2)c1 COc1cccc(c1)[*:1] OC1(CC[NH+](C/C=C/c2ccccc2)CC1)Cc1cc(no1)[*:1]
COc1cccc(-c2cc(CC3(O)CC[NH+](C/C=C/c4ccccc4)CC3)on2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1cc(CC2(O)CC[NH+](CC=C[*:1])CC2)on1
C[C@H]1CCCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C(N)=S FC(F)(F)[*:1] C[C@H]1CCCC[C@@H]1Nc1nc(ccc1C(N)=S)[*:1]
C[C@H]1CCCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C(N)=S C[C@H]1CCCC[C@H]1[*:1] NC(=S)c1ccc(nc1N[*:1])C(F)(F)F
C[C@H]1CCCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C(N)=S NC(=S)[*:1] C[C@H]1CCCC[C@@H]1Nc1nc(ccc1[*:1])C(F)(F)F
Cc1ccc(OC2CCN(C(=O)c3ccccc3S(C)(=O)=O)CC2)cc1C Cc1ccc(cc1C)O[*:1] CS(=O)(=O)c1ccccc1C(=O)N1CCC(CC1)[*:1]
Cc1ccc(OC2CCN(C(=O)c3ccccc3S(C)(=O)=O)CC2)cc1C Cc1ccc(cc1C)[*:1] CS(=O)(=O)c1ccccc1C(=O)N1CCC(CC1)O[*:1]
Cc1ccc(OC2CCN(C(=O)c3ccccc3S(C)(=O)=O)CC2)cc1C CS(=O)(=O)[*:1] Cc1ccc(cc1C)OC1CCN(CC1)C(=O)c1ccccc1[*:1]
C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3cn(C)nc3C(C)(C)C)cc2)C[C@@H](C)O1 C[C@@H]1CN(C[C@@H](C)O1)C[*:1] Cn1cc(C[NH2+]Cc2ccc(cc2)[*:1])c(n1)C(C)(C)C
C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3cn(C)nc3C(C)(C)C)cc2)C[C@@H](C)O1 CC(C)(C)[*:1] C[C@@H]1CN(Cc2ccc(cc2)C[NH2+]Cc2cn(C)nc2[*:1])C[C@@H](C)O1
Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N1CCCCC1=O O=C1CCCCN1[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ccc(cc1)C(C)(C)C
Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N1CCCCC1=O CC(C)(C)[*:1] Cc1cc(ccc1N1CCCCC1=O)NC(=O)c1ccc(cc1)[*:1]
O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2F)o1 Fc1ccccc1[*:1] O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(o1)[*:1]
CCn1c([O-])c(C(=O)NNC(=O)C(C)C)c(=O)c2ccccc21 CC(C)[*:1] CCn1c([O-])c(C(=O)NNC(=O)[*:1])c(=O)c2ccccc21
O=C([O-])c1ccc(-c2cccc(F)c2)o1 O=C([O-])[*:1] Fc1cccc(c1)-c1ccc(o1)[*:1]
COc1ccc2c(c1)CN(C(=O)N[C@H](C)c1c(C)noc1C)CC2 Cc1noc(C)c1[*:1] COc1ccc2CCN(Cc2c1)C(=O)N[C@H](C)[*:1]
NNc1ccc(Cl)c(CSC2COC2)n1 C1OCC1S[*:1] NNc1ccc(Cl)c(C[*:1])n1
NNc1ccc(Cl)c(CSC2COC2)n1 C1OCC1[*:1] NNc1ccc(Cl)c(CS[*:1])n1
Cc1cs/c(=N\S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)[nH]1 O=C([O-])[*:1] Cc1cs/c(=N\S(=O)(=O)c2ccc(C=C[*:1])cc2)[nH]1
Cc1cs/c(=N\S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)[nH]1 O=C([O-])C=C[*:1] Cc1cs/c(=N\S(=O)(=O)c2ccc(cc2)[*:1])[nH]1
CC(C)CN1Cc2nc(N3CCC[C@@H](C)C3)ncc2C1=O C[C@@H]1CCCN(C1)[*:1] CC(C)CN1Cc2nc(ncc2C1=O)[*:1]
CC(C)CN1Cc2nc(N3CCC[C@@H](C)C3)ncc2C1=O CC(C)[*:1] C[C@@H]1CCCN(C1)c1ncc2C(=O)N(Cc2n1)C[*:1]
CC(C)CN1Cc2nc(N3CCC[C@@H](C)C3)ncc2C1=O CC(C)C[*:1] C[C@@H]1CCCN(C1)c1ncc2C(=O)N(Cc2n1)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc(C)cc2OC)CC1 CCC(CC)[*:1] COc1cc(C)ccc1NC(=O)NC1CCN(CC1)C(=O)[*:1]
Cc1nn(C)cc1CN(C)C(=O)C(C)C CC(C)[*:1] Cc1nn(C)cc1CN(C)C(=O)[*:1]
CCn1c[nH+]cc1Cn1nnc(N)c1C(C)(C)C CC(C)(C)[*:1] CCn1c[nH+]cc1Cn1nnc(N)c1[*:1]
CC(C)n1c(C(C)(C)O)nc2ccccc21 CC(C)[*:1] CC(C)(O)c1nc2ccccc2n1[*:1]
CC(C)n1c(C(C)(C)O)nc2ccccc21 CC(C)(O)[*:1] CC(C)n1c(nc2ccccc21)[*:1]
COC(=O)[C@@]1([NH2+]C(C)C)CCC[C@@H]1CC[NH+]1CCCCC1 CC(C)[*:1] COC(=O)[C@]1(CCC[C@@H]1CC[NH+]1CCCCC1)[NH2+][*:1]
COC(=O)[C@@]1([NH2+]C(C)C)CCC[C@@H]1CC[NH+]1CCCCC1 COC(=O)[*:1] CC(C)[NH2+][C@]1(CCC[C@@H]1CC[NH+]1CCCCC1)[*:1]
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21)Nc1ccccc1 Fc1ccc(O[*:1])c(F)c1 O=C(CN1C(=O)COc2ccc(cc21)C(=O)C[*:1])Nc1ccccc1
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(COc1ccc(F)cc1F)c1ccc2OCC(=O)N(C[*:1])c2c1
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21)Nc1ccccc1 Fc1ccc(OC[*:1])c(F)c1 O=C(CN1C(=O)COc2ccc(cc21)C(=O)[*:1])Nc1ccccc1
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)C(=O)COc1ccc(F)cc1F)N[*:1]
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21)Nc1ccccc1 Fc1ccc(c(F)c1)[*:1] O=C(CN1C(=O)COc2ccc(cc21)C(=O)CO[*:1])Nc1ccccc1
O=C(CN1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3F)cc21)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=C(COc1ccc(F)cc1F)c1ccc2OCC(=O)N(c2c1)[*:1]
COc1ccc(OC)c(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)CSc1ccc(nn1)[*:1]
C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)o1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(F)cc2)[*:1])o1
C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)o1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H](C)O[*:1])[C@@H]2CCS(=O)(=O)C2)o1
C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)o1 C[C@@H](Oc1ccc(F)cc1)[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)[*:1])[C@@H]2CCS(=O)(=O)C2)o1
C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)o1 C[C@H]1C[C@@H]1[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(o1)[*:1])[C@@H]1CCS(=O)(=O)C1
C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)o1 Fc1ccc(cc1)O[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H](C)[*:1])[C@@H]2CCS(=O)(=O)C2)o1
O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cnn(c1-n1cccc1)[*:1])N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 c1ccn(c1)[*:1] O=C(c1cnn(-c2ccc(F)cc2)c1[*:1])N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
COc1ccc(F)cc1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] COc1ccc(F)cc1NC(=O)N1CCc2c(cccc2[*:1])C1
Cc1cccc(-c2nc(CC(=O)N3CCc4cc(F)ccc4C3)cs2)c1 Cc1cccc(c1)[*:1] O=C(Cc1csc(n1)[*:1])N1CCc2cc(F)ccc2C1
CNC(=O)[C@H](C)CN(C)C(=O)c1cnc(-c2ccccc2)nc1 CNC(=O)[*:1] C[C@H](CN(C)C(=O)c1cnc(nc1)-c1ccccc1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cnc(-c2ccccc2)nc1 c1ccc(cc1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)c1cnc(nc1)[*:1]
CCOc1ccccc1-n1c(=S)[nH]c([O-])c([C@@H]2[NH2+]CCc3ccccc32)c1=O CCO[*:1] O=c1c(c([O-])[nH]c(=S)n1-c1ccccc1[*:1])[C@@H]1[NH2+]CCc2ccccc21
CCOc1ccccc1-n1c(=S)[nH]c([O-])c([C@@H]2[NH2+]CCc3ccccc32)c1=O CCOc1ccccc1[*:1] O=c1c(c([O-])[nH]c(=S)n1[*:1])[C@@H]1[NH2+]CCc2ccccc21
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(C(=O)[O-])c(O)c1 O=C([O-])[*:1] CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(c(O)c1)[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(CC2=NC(=O)C3=C(c4cccs4)CSC3=N2)CC1 c1csc(c1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(CC1)CC1=NC(=O)C2C(=N1)SCC=2[*:1]
COc1ccc(-c2nc(COc3cccc(-n4cnnn4)c3)co2)cc1 COc1ccc(cc1)[*:1] c1cc(cc(c1)-n1cnnn1)OCc1coc(n1)[*:1]
COc1ccc(-c2nc(COc3cccc(-n4cnnn4)c3)co2)cc1 c1nnnn1[*:1] COc1ccc(cc1)-c1nc(co1)COc1cccc(c1)[*:1]
CC(C)[C@@H](C(=O)NCc1ccccc1)N1Cc2ccccc2C1=O CC(C)[*:1] O=C(NCc1ccccc1)[C@@H](N1Cc2ccccc2C1=O)[*:1]
CC(C)[C@@H](C(=O)NCc1ccccc1)N1Cc2ccccc2C1=O c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)NC[*:1])N1Cc2ccccc2C1=O
CC(C)[C@@H](C(=O)NCc1ccccc1)N1Cc2ccccc2C1=O c1ccc(cc1)C[*:1] CC(C)[C@@H](C(=O)N[*:1])N1Cc2ccccc2C1=O
COc1ccc(OC)c(Cc2nnc(CCC(=O)N3CCn4cccc4[C@@H]3C)o2)c1 COc1ccc(OC)c(c1)[*:1] C[C@H]1c2cccn2CCN1C(=O)CCc1nnc(C[*:1])o1
CC1=C(Cl)[C@H](C)N(c2ccc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)cc2)N1 O=c1[nH]c2ccccc2n1[*:1] CC1NN(c2ccc(cc2)C(=O)OCCC[*:1])[C@@H](C)C=1Cl
CCOC(=O)Nc1cccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)c1 CCOC(=O)N[*:1] O=S(=O)(Oc1cccc(c1)[*:1])c1ccc2OCCOc2c1
CCOC(=O)c1sc(NC(=O)c2cc(F)c(F)c(F)c2F)nc1C CCOC(=O)[*:1] Cc1nc(NC(=O)c2cc(F)c(F)c(F)c2F)sc1[*:1]
CCc1ccccc1OC1CN(C(=O)c2cn(C)nc2C)C1 Cc1nn(C)cc1[*:1] CCc1ccccc1OC1CN(C1)C(=O)[*:1]
COc1ccc([C@H](NC(=O)c2cc3ccccc3[nH]2)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](C1CC1)[*:1])c1cc2ccccc2[nH]1
COc1ccc([C@H](NC(=O)c2cc3ccccc3[nH]2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NC(=O)c1cc2ccccc2[nH]1)[*:1]
COc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1ccccc1Cl O=C(N[*:1])c1cccnc1 COc1cc(ccc1NC(=O)c1ccccc1Cl)[*:1]
COc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1ccccc1Cl c1cncc(c1)[*:1] COc1cc(ccc1NC(=O)c1ccccc1Cl)NC(=O)[*:1]
COc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)c1cccnc1
CCS(=O)(=O)CCSCc1ccc(Cl)cc1 CCS(=O)(=O)[*:1] Clc1ccc(cc1)CSCC[*:1]
Cn1ccc(Nc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)n1 Cn1ccc(n1)[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)N[*:1]
CN(CCOc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CCOc1ccc(Cl)cc1)C(=O)CNC(=O)[*:1]
CN(CCOc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccccc1 Clc1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)CNC(=O)c1ccccc1
CN(CCOc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccccc1 Clc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)CNC(=O)c1ccccc1
C[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] C[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1cccc(c1)[*:1]
C[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1cccc(-n2ccnc2)c1 c1coc(c1)[*:1] C[C@H](NC(=O)N(C)[C@@H](C)[*:1])c1cccc(c1)-n1ccnc1
C[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1cccc(-n2ccnc2)c1 C[C@@H](c1ccco1)[*:1] C[C@H](NC(=O)N(C)[*:1])c1cccc(c1)-n1ccnc1
CC[NH+]1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)c1oc(nc1S(=O)(=O)[*:1])-c1ccccc1C
CC[NH+]1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(Br)cc2)CC1 Cc1ccccc1[*:1] CC[NH+]1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccc(Br)cc1)[*:1]
CC[NH+]1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(Br)cc2)CC1 O=S(=O)(c1ccc(Br)cc1)[*:1] CC[NH+]1CCN(CC1)c1oc(nc1[*:1])-c1ccccc1C
CC[C@@H](Sc1cc2ccccc2[nH]1)C(N)=O NC(=O)[*:1] CC[C@@H](Sc1cc2ccccc2[nH]1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C)(C)C2)c1 CCN(CC)S(=O)(=O)[*:1] CC1(C)CCN(C1)C(=O)c1cc(ccc1F)[*:1]
O=C(C[C@@H]1C=CCC1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 C1CCC(C1)[*:1] O=C(C[C@@H]1C=CCC1)Nc1cccc(c1)S(=O)(=O)[*:1]
CNC(=O)Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 CNC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(Cl)c1Cl
CNC(=O)Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cccc(Cl)c1Cl
O=C(CCC(=O)N1CCOCC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 O=C(N1CCOCC1)[*:1] O=C(CC[*:1])NC[C@H](c1ccco1)[NH+]1CCCCC1
O=C(CCC(=O)N1CCOCC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 c1coc(c1)[*:1] O=C(CCC(=O)N1CCOCC1)NC[C@H]([NH+]1CCCCC1)[*:1]
O=[N+]([O-])c1cc2ccccc2nc1C1CCCCC1 O=[N+]([O-])[*:1] c1ccc2nc(c(cc2c1)[*:1])C1CCCCC1
O=[N+]([O-])c1cc2ccccc2nc1C1CCCCC1 C1CCC(CC1)[*:1] O=[N+]([O-])c1cc2ccccc2nc1[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N(C)C)C1 CN(C)C(=O)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)C(=O)Nc1ccccc1[*:1]
C[C@H]1CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1O O=C1CCCCN1[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1ccc(cc1)[*:1]
CNC(=S)N(CCC#N)Cc1ccccc1 N#CCC[*:1] CNC(=S)N(Cc1ccccc1)[*:1]
CNC(=S)N(CCC#N)Cc1ccccc1 N#CC[*:1] CNC(=S)N(Cc1ccccc1)C[*:1]
O=C([O-])[C@@H](CO)NS(=O)(=O)c1cc[nH]c1 O=C([O-])[*:1] O=S(=O)(N[C@H](CO)[*:1])c1cc[nH]c1
O=C([O-])[C@@H](CO)NS(=O)(=O)c1cc[nH]c1 c1cc(c[nH]1)[*:1] O=C([O-])[C@@H](CO)NS(=O)(=O)[*:1]
Cc1ccc([C@H]2[C@@H](C(=O)N[C@@H](C)c3nc4ccccc4o3)CCC(=O)N2C)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@H]1[*:1])c1nc2ccccc2o1
Cc1ccc([C@H]2[C@@H](C(=O)N[C@@H](C)c3nc4ccccc4o3)CCC(=O)N2C)cc1 c1ccc2oc(nc2c1)[*:1] Cc1ccc(cc1)[C@H]1[C@H](CCC(=O)N1C)C(=O)N[C@@H](C)[*:1]
C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=NN1C1CCCC1 C1CCC(C1)[*:1] C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=NN1[*:1]
CN(c1ccccc1)c1nc(N)nc2[nH]ncc12 c1ccc(cc1)[*:1] CN(c1nc(N)nc2[nH]ncc12)[*:1]
O=C(CCCc1cc(F)ccc1F)N(CC1CC1)c1cccnc1 c1cncc(c1)[*:1] O=C(CCCc1cc(F)ccc1F)N(CC1CC1)[*:1]
O=C(CCCc1cc(F)ccc1F)N(CC1CC1)c1cccnc1 Fc1ccc(F)c(c1)[*:1] O=C(CCC[*:1])N(CC1CC1)c1cccnc1
O=C(CCCc1cc(F)ccc1F)N(CC1CC1)c1cccnc1 C1CC1C[*:1] O=C(CCCc1cc(F)ccc1F)N(c1cccnc1)[*:1]
O=C(CCCc1cc(F)ccc1F)N(CC1CC1)c1cccnc1 C1CC1[*:1] O=C(CCCc1cc(F)ccc1F)N(C[*:1])c1cccnc1
Cc1ccccc1[C@@H](NS(C)(=O)=O)c1ccccc1 CS(=O)(=O)N[*:1] Cc1ccccc1[C@@H](c1ccccc1)[*:1]
Cc1ccccc1[C@@H](NS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1[C@@H](NS(C)(=O)=O)[*:1]
CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccco1 N#Cc1cccc(c1)[*:1] CCn1c(nnc1-c1ccco1)SCC(=O)N[*:1]
CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1cccc(C#N)c1
O=C(NNc1ccc(-c2ccccc2)nn1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(NNc1ccc(nn1)[*:1])[C@@H]1CCCO1
C=CCn1c(SCCC#N)nc2sc(C)c(C)c2c1=O N#CCCS[*:1] C=CCn1c(nc2sc(C)c(C)c2c1=O)[*:1]
C=CCn1c(SCCC#N)nc2sc(C)c(C)c2c1=O N#CC[*:1] C=CCn1c(nc2sc(C)c(C)c2c1=O)SC[*:1]
C=CCn1c(SCCC#N)nc2sc(C)c(C)c2c1=O C=CC[*:1] Cc1sc2nc(SCCC#N)n(c(=O)c2c1C)[*:1]
C=CCn1c(SCCC#N)nc2sc(C)c(C)c2c1=O N#CCC[*:1] C=CCn1c(nc2sc(C)c(C)c2c1=O)S[*:1]
Cc1nn(CC(C)C)c(Cl)c1CN1CCOC[C@@H]1C1CC1 CC(C)C[*:1] Cc1nn(c(Cl)c1CN1CCOC[C@@H]1C1CC1)[*:1]
Cc1nn(CC(C)C)c(Cl)c1CN1CCOC[C@@H]1C1CC1 C1CC1[*:1] Cc1nn(CC(C)C)c(Cl)c1CN1CCOC[C@H]1[*:1]
Cc1nn(CC(C)C)c(Cl)c1CN1CCOC[C@@H]1C1CC1 CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1CN1CCOC[C@@H]1C1CC1
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)/C=C/c1cccc(C#N)c1 C[S@](=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)/C=C/c1cccc(C#N)c1
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)/C=C/c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)C=C[*:1]
Cc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])no1 O=C([O-])[*:1] Cc1cc(no1)NC(=O)[C@@H]1CC=CC[C@@H]1[*:1]
Cc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])no1 Cc1cc(no1)[*:1] O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N[*:1]
CCOC(=O)c1cnn2c1N[C@@H](c1ccc(OC)cc1)C[C@H]2C(F)(F)F FC(F)(F)[*:1] CCOC(=O)c1cnn2c1N[C@H](C[C@@H]2[*:1])c1ccc(cc1)OC
CCOC(=O)c1cnn2c1N[C@@H](c1ccc(OC)cc1)C[C@H]2C(F)(F)F COc1ccc(cc1)[*:1] CCOC(=O)c1cnn2c1N[C@@H](C[C@H]2C(F)(F)F)[*:1]
CCOC(=O)c1cnn2c1N[C@@H](c1ccc(OC)cc1)C[C@H]2C(F)(F)F CCOC(=O)[*:1] COc1ccc(cc1)[C@H]1C[C@H](n2ncc(c2N1)[*:1])C(F)(F)F
CCSC[C@H](Cc1nc2ccccc2n1C)[NH2+]C CCSC[*:1] C[NH2+][C@@H](Cc1nc2ccccc2n1C)[*:1]
CCSC[C@H](Cc1nc2ccccc2n1C)[NH2+]C CCS[*:1] C[NH2+][C@@H](Cc1nc2ccccc2n1C)C[*:1]
CC[C@@H](CS)COc1ccc(F)cc1F CC[C@@H](CS)[*:1] Fc1ccc(OC[*:1])c(F)c1
COc1cccc(CNC(=O)Cn2c(C)nc3c(c2=O)C[NH+](Cc2ccccc2)CC3)c1 COc1cccc(c1)[*:1] Cc1nc2CC[NH+](Cc3ccccc3)Cc2c(=O)n1CC(=O)NC[*:1]
COc1cccc(CNC(=O)Cn2c(C)nc3c(c2=O)C[NH+](Cc2ccccc2)CC3)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)CNC(=O)Cn1c(C)nc2CC[NH+](Cc2c1=O)[*:1]
COc1cccc(CNC(=O)Cn2c(C)nc3c(c2=O)C[NH+](Cc2ccccc2)CC3)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)Cn1c(C)nc2CC[NH+](Cc2c1=O)C[*:1]
COc1cccc(CNC(=O)Cn2c(C)nc3c(c2=O)C[NH+](Cc2ccccc2)CC3)c1 COc1cccc(c1)C[*:1] Cc1nc2CC[NH+](Cc3ccccc3)Cc2c(=O)n1CC(=O)N[*:1]
NC(=O)c1ccc(=O)n(Cc2ccc(C3CCCCC3)cc2)n1 NC(=O)[*:1] O=c1ccc(nn1Cc1ccc(cc1)C1CCCCC1)[*:1]
NC(=O)c1ccc(=O)n(Cc2ccc(C3CCCCC3)cc2)n1 C1CCC(CC1)[*:1] NC(=O)c1ccc(=O)n(Cc2ccc(cc2)[*:1])n1
Cn1nncc1CN1CCO[C@@H](c2ccsc2)C1 Cn1nncc1[*:1] c1cc(cs1)[C@H]1CN(CCO1)C[*:1]
Cn1nncc1CN1CCO[C@@H](c2ccsc2)C1 c1cc(cs1)[*:1] Cn1nncc1CN1CCO[C@@H](C1)[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CCc1nn(C)cc1[*:1] CC(C)(C)C(=O)NC[C@H]1CCCN(C1)C(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)C(=O)N[*:1] CCc1nn(C)cc1CNC(=O)N1CCC[C@@H](C1)C[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)[*:1] CCc1nn(C)cc1CNC(=O)N1CCC[C@H](CNC(=O)[*:1])C1
CCc1nn(C)cc1CNC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 CC(C)(C)C(=O)NC[*:1] CCc1nn(C)cc1CNC(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc([N+](=O)[O-])c(Oc2cccc(C(=O)N(C)C)c2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)Oc1cccc(c1)C(=O)N(C)C)[*:1]
Cc1ccc([N+](=O)[O-])c(Oc2cccc(C(=O)N(C)C)c2)c1 CN(C)C(=O)[*:1] Cc1ccc(c(c1)Oc1cccc(c1)[*:1])[N+](=O)[O-]
CC(C)[C@@H]1CSCCC[NH2+]1 CC(C)[*:1] C1C[NH2+][C@@H](CSC1)[*:1]
CC(C)[C@H]1CC(=O)N(CN(Cc2cccs2)CC(F)(F)F)C1 c1csc(c1)C[*:1] CC(C)[C@H]1CC(=O)N(C1)CN(CC(F)(F)F)[*:1]
CC(C)[C@H]1CC(=O)N(CN(Cc2cccs2)CC(F)(F)F)C1 CC(C)[*:1] O=C1C[C@@H](CN1CN(Cc1cccs1)CC(F)(F)F)[*:1]
CC(C)[C@H]1CC(=O)N(CN(Cc2cccs2)CC(F)(F)F)C1 FC(F)(F)[*:1] CC(C)[C@H]1CC(=O)N(C1)CN(Cc1cccs1)C[*:1]
CC(C)[C@H]1CC(=O)N(CN(Cc2cccs2)CC(F)(F)F)C1 FC(F)(F)C[*:1] CC(C)[C@H]1CC(=O)N(C1)CN(Cc1cccs1)[*:1]
CC(C)[C@H]1CC(=O)N(CN(Cc2cccs2)CC(F)(F)F)C1 c1csc(c1)[*:1] CC(C)[C@H]1CC(=O)N(C1)CN(CC(F)(F)F)C[*:1]
COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N1CCCCCC1 COC(=O)[*:1] CC1NC(=S)N[C@@H](C=1[*:1])c1ccccc1OCC(=O)N1CCCCCC1
COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OC[*:1]
Cc1ccnc(NNC(=O)c2oc3c(C)cccc3c2C)c1 Cc1ccnc(c1)[*:1] Cc1c(oc2c(C)cccc12)C(=O)NN[*:1]
Cc1nnc([C@H]2Cc3ccccc3CN2CC2=Cc3cc(Cl)ccc3OC2)o1 Cc1nnc(o1)[*:1] Clc1ccc2OCC(=Cc2c1)CN1Cc2ccccc2C[C@@H]1[*:1]
COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(C(C)=O)CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] COc1cccc2c1OC1(CCN(CC1)C(C)=O)N1N=C(C[C@H]21)[*:1]
CN1C(=O)CCc2cc(C(=O)NCC[NH2+]C(C)(C)C)ccc21 CC(C)(C)[*:1] CN1C(=O)CCc2cc(ccc21)C(=O)NCC[NH2+][*:1]
CCCn1nccc1C(=O)Nc1cnn(CCc2ccccc2)c1 c1ccc(cc1)C[*:1] CCCn1nccc1C(=O)Nc1cnn(c1)C[*:1]
CCCn1nccc1C(=O)Nc1cnn(CCc2ccccc2)c1 c1ccc(cc1)CC[*:1] CCCn1nccc1C(=O)Nc1cnn(c1)[*:1]
CCCn1nccc1C(=O)Nc1cnn(CCc2ccccc2)c1 CCCn1nccc1[*:1] O=C(Nc1cnn(c1)CCc1ccccc1)[*:1]
CCCn1nccc1C(=O)Nc1cnn(CCc2ccccc2)c1 c1ccc(cc1)[*:1] CCCn1nccc1C(=O)Nc1cnn(c1)CC[*:1]
CCCn1nccc1C(=O)Nc1cnn(CCc2ccccc2)c1 CCC[*:1] O=C(Nc1cnn(c1)CCc1ccccc1)c1ccnn1[*:1]
CC(C)(C)CCNC(=O)CN1CCN(CC#N)CC1 N#CC[*:1] CC(C)(C)CCNC(=O)CN1CCN(CC1)[*:1]
CC(C)(C)CCNC(=O)CN1CCN(CC#N)CC1 CC(C)(C)[*:1] N#CCN1CCN(CC1)CC(=O)NCC[*:1]
CC(C)(C)CCNC(=O)CN1CCN(CC#N)CC1 CC(C)(C)CC[*:1] N#CCN1CCN(CC1)CC(=O)N[*:1]
CC(C)(C)CCNC(=O)CN1CCN(CC#N)CC1 CC(C)(C)C[*:1] N#CCN1CCN(CC1)CC(=O)NC[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(Br)cc2)n1 CC(C)[*:1] N#C[C@H](C(=O)c1ccc(Br)cc1)c1nc(cs1)[*:1]
COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] COc1cc(cc(c1[O-])[*:1])[C@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)c1ccccc1Cl
COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc([N+](=O)[O-])c1[O-] Clc1ccccc1[*:1] COc1cc(cc(c1[O-])[N+](=O)[O-])[C@H]1CC(=O)NC2C[C@H](CC(=O)C=21)[*:1]
C[C@@H](C(N)=S)N(C)C(=O)[C@H]1CCO[C@@H]1C C[C@@H](C(N)=S)[*:1] C[C@H]1OCC[C@@H]1C(=O)N(C)[*:1]
C[C@@H](C(N)=S)N(C)C(=O)[C@H]1CCO[C@@H]1C NC(=S)[*:1] C[C@@H](N(C)C(=O)[C@H]1CCO[C@@H]1C)[*:1]
C=CCN1C(=O)N=C(N)[C@]12CCOc1ccccc12 C=CC[*:1] NC1=NC(=O)N([C@@]12CCOc1ccccc12)[*:1]
C[C@H]1Nc2ncnn2[C@H](c2ccccc2F)[C@@H]1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]1Nc2ncnn2[C@H](c2ccccc2F)[C@@H]1C(=O)N[*:1]
C[C@H]1Nc2ncnn2[C@H](c2ccccc2F)[C@@H]1C(=O)Nc1ccc(Cl)cc1 Fc1ccccc1[*:1] C[C@H]1Nc2ncnn2[C@H]([C@@H]1C(=O)Nc1ccc(Cl)cc1)[*:1]
O=C(NCc1csc(C2CC2)n1)c1cc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] O=C(NCc1csc(n1)C1CC1)c1cc(n[nH]1)[*:1]
O=C(NCc1csc(C2CC2)n1)c1cc(-c2cccs2)n[nH]1 C1CC1[*:1] O=C(NCc1csc(n1)[*:1])c1cc(n[nH]1)-c1cccs1
CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)C1 CCCC(=O)N[*:1] CC[S@](=O)[C@H]1CCC[C@H](C1)NC(=O)N1CCC[C@H](C1)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)C1 CCC[*:1] CC[S@](=O)[C@H]1CCC[C@H](C1)NC(=O)N1CCC[C@H](C1)NC(=O)[*:1]
COC(=O)C[C@H]1CSCCN1Cc1cn(C)nc1-c1ccncc1 c1cc(ccn1)[*:1] COC(=O)C[C@H]1CSCCN1Cc1cn(C)nc1[*:1]
COC(=O)C[C@H]1CSCCN1Cc1cn(C)nc1-c1ccncc1 COC(=O)[*:1] Cn1cc(CN2CCSC[C@@H]2C[*:1])c(n1)-c1ccncc1
COC(=O)C[C@H]1CSCCN1Cc1cn(C)nc1-c1ccncc1 COC(=O)C[*:1] Cn1cc(CN2CCSC[C@@H]2[*:1])c(n1)-c1ccncc1
COc1cc(Cl)ccc1/C([O-])=N/S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 COc1cc(Cl)ccc1[*:1] N#Cc1ccc(cc1C(F)(F)F)S(=O)(=O)/N=C(\[O-])[*:1]
COc1cc(Cl)ccc1/C([O-])=N/S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 FC(F)(F)[*:1] COc1cc(Cl)ccc1/C([O-])=N/S(=O)(=O)c1ccc(C#N)c(c1)[*:1]
CC[NH+]1CCN(c2ccc(C(=O)N3CCCC[C@@H]3CCO)cc2F)CC1 OCC[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1F)C(=O)N1CCCC[C@H]1[*:1]
COc1ccc(C2(C(=O)N[C@@H](C)Cn3nc4c(cc3=O)CCCCC4)CC2)cc1 COc1ccc(cc1)[*:1] C[C@@H](Cn1nc2CCCCCc2cc1=O)NC(=O)C1(CC1)[*:1]
C=C(Br)COc1ccc(C[NH3+])cc1OC C=C(Br)C[*:1] COc1cc(ccc1O[*:1])C[NH3+]
C=C(Br)COc1ccc(C[NH3+])cc1OC C=C(Br)[*:1] COc1cc(ccc1OC[*:1])C[NH3+]
C=C(Br)COc1ccc(C[NH3+])cc1OC C=C(Br)CO[*:1] COc1cc(ccc1[*:1])C[NH3+]
CSc1cccc(NC(=O)CCOc2ccccc2)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)CCO[*:1]
O=C(c1cnc2ccccc2c1Nc1ccc(F)cc1)N1CCSCC1 Fc1ccc(cc1)[*:1] O=C(c1cnc2ccccc2c1N[*:1])N1CCSCC1
O=C(c1cnc2ccccc2c1Nc1ccc(F)cc1)N1CCSCC1 Fc1ccc(cc1)N[*:1] O=C(c1cnc2ccccc2c1[*:1])N1CCSCC1
O=C(c1cnc2ccccc2c1Nc1ccc(F)cc1)N1CCSCC1 O=C(N1CCSCC1)[*:1] Fc1ccc(cc1)Nc1c(cnc2ccccc12)[*:1]
CC[C@@H](O)CN(Cc1cccc(C(=O)N(C)C)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](O)CN(Cc1cccc(c1)C(=O)N(C)C)[*:1]
CC[C@@H](O)CN(Cc1cccc(C(=O)N(C)C)c1)c1ccccc1 CN(C)C(=O)[*:1] CC[C@@H](O)CN(Cc1cccc(c1)[*:1])c1ccccc1
COC(=O)[C@]1(N)CC[C@@H](SCc2cccc(C)c2)C1 COC(=O)[*:1] Cc1cccc(c1)CS[C@@H]1CC[C@@](N)(C1)[*:1]
Cc1nc2c(C(=O)NC[C@H]3CCCO3)cnn2c(C)c1Cc1c(F)cccc1Cl Fc1cccc(Cl)c1C[*:1] Cc1nc2c(cnn2c(C)c1[*:1])C(=O)NC[C@H]1CCCO1
Cc1nc2c(C(=O)NC[C@H]3CCCO3)cnn2c(C)c1Cc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] Cc1nc2c(cnn2c(C)c1C[*:1])C(=O)NC[C@H]1CCCO1
Cc1nc2c(C(=O)NC[C@H]3CCCO3)cnn2c(C)c1Cc1c(F)cccc1Cl O=C(NC[C@H]1CCCO1)[*:1] Cc1nc2c(cnn2c(C)c1Cc1c(F)cccc1Cl)[*:1]
O=C(c1ccc(N2CCOCC2)cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)N1CCOCC1
COc1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1 CS(=O)(=O)NCC[*:1] COc1ccc(cc1)-c1nc(cs1)-c1ccc(s1)[*:1]
COc1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1 CS(=O)(=O)NC[*:1] COc1ccc(cc1)-c1nc(cs1)-c1ccc(C[*:1])s1
COc1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)NCCc1ccc(s1)-c1csc(n1)[*:1]
COc1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1 CS(=O)(=O)N[*:1] COc1ccc(cc1)-c1nc(cs1)-c1ccc(CC[*:1])s1
COC(=O)[C@@H]1CC(=O)NN(S(C)(=O)=O)C1 COC(=O)[*:1] CS(=O)(=O)N1C[C@@H](CC(=O)N1)[*:1]
COc1ccc(CN2c3ccccc3N[C@H]2[C@@H]2C=CC=NC2=O)cc1 COc1ccc(cc1)[*:1] O=C1N=CC=C[C@H]1[C@@H]1Nc2ccccc2N1C[*:1]
C[C@@H](NC(=O)c1ccccc1)/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 FC(F)(F)[*:1] C[C@@H](NC(=O)c1ccccc1)/C([O-])=N/c1nc(n[nH]1)[*:1]
C[C@@H](NC(=O)c1ccccc1)/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])/C([O-])=N/c1nc(n[nH]1)C(F)(F)F
CSc1cccc2sc(N(Cc3cccnc3)C(=O)Cc3ccc(F)cc3)nc12 Fc1ccc(cc1)C[*:1] CSc1cccc2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
CSc1cccc2sc(N(Cc3cccnc3)C(=O)Cc3ccc(F)cc3)nc12 c1cncc(c1)C[*:1] CSc1cccc2sc(nc12)N(C(=O)Cc1ccc(F)cc1)[*:1]
CSc1cccc2sc(N(Cc3cccnc3)C(=O)Cc3ccc(F)cc3)nc12 c1cncc(c1)[*:1] CSc1cccc2sc(nc12)N(C[*:1])C(=O)Cc1ccc(F)cc1
CSc1cccc2sc(N(Cc3cccnc3)C(=O)Cc3ccc(F)cc3)nc12 Fc1ccc(cc1)[*:1] CSc1cccc2sc(nc12)N(Cc1cccnc1)C(=O)C[*:1]
CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1F CCCNC(=O)[*:1] C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)[*:1]
CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1F CCC[*:1] C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)C(=O)N[*:1]
Cc1csc([C@H](N)c2cncn2C(C)C)n1 CC(C)[*:1] Cc1csc(n1)[C@H](N)c1cncn1[*:1]
CCC[C@@H]1CNc2ccccc2C[NH2+]1 CCC[*:1] c1ccc2NC[C@H]([NH2+]Cc2c1)[*:1]
C[C@H](Sc1ncc[nH]1)C(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] C[C@H](Sc1ncc[nH]1)C(=O)Nc1ccccc1[*:1]
C[C@H](Sc1ncc[nH]1)C(=O)Nc1ccccc1N1CCCC1=O c1c[nH]c(n1)S[*:1] C[C@H](C(=O)Nc1ccccc1N1CCCC1=O)[*:1]
C[C@H](Sc1ncc[nH]1)C(=O)Nc1ccccc1N1CCCC1=O c1c[nH]c(n1)[*:1] C[C@H](S[*:1])C(=O)Nc1ccccc1N1CCCC1=O
CC(C)n1c(CNC(=O)c2csc3c2CC[C@@H](C)C3)n[nH]c1=S CC(C)[*:1] C[C@@H]1CCc2c(csc2C1)C(=O)NCc1n[nH]c(=S)n1[*:1]
Cc1cc(CSc2ncccc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)no1 Cc1cc(CS[*:1])no1 O=C(c1cccnc1[*:1])N1CCC[C@@H](C1)c1nc2ccccc2s1
Cc1cc(CSc2ncccc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)no1 Cc1cc(no1)[*:1] O=C(c1cccnc1SC[*:1])N1CCC[C@@H](C1)c1nc2ccccc2s1
Cc1cc(CSc2ncccc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)no1 c1ccc2sc(nc2c1)[*:1] Cc1cc(CSc2ncccc2C(=O)N2CCC[C@H](C2)[*:1])no1
Cc1cc(CSc2ncccc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)no1 Cc1cc(C[*:1])no1 O=C(c1cccnc1S[*:1])N1CCC[C@@H](C1)c1nc2ccccc2s1
CCC[NH2+][C@@H](c1ccnn1CC)[C@H]1CN2CCC[C@@H]2CO1 CCn1nccc1[*:1] CCC[NH2+][C@@H]([C@H]1CN2CCC[C@@H]2CO1)[*:1]
CCC[NH2+][C@@H](c1ccnn1CC)[C@H]1CN2CCC[C@@H]2CO1 CCC[*:1] CCn1nccc1[C@H]([NH2+][*:1])[C@H]1CN2CCC[C@@H]2CO1
Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(F)cn3)CC2)[nH+]1 Fc1ccc(nc1)[*:1] Cc1cccc([nH+]1)N1CCC(CC1)[NH2+][C@H](C)[*:1]
Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(F)cn3)CC2)[nH+]1 Cc1cccc([nH+]1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)[*:1])c1ccc(F)cn1
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(C)=O)c(C)c2)c1 CC(=O)[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)Nc1ccc(c(C)c1)[*:1]
COc1ccc(OC)c(C(=O)CCC2OCCCO2)c1 C1COC(OC1)[*:1] COc1ccc(OC)c(c1)C(=O)CC[*:1]
O=C(CSc1cccc2cccnc12)N/N=C\c1ccncc1 c1cc(ccn1)[*:1] O=C(CSc1cccc2cccnc12)NN=C[*:1]
Cc1ccc(C2=CC(=O)N(CC(=O)Nc3ccccc3F)c3ccccc3N2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)C1=CC(=O)N(CC(=O)N[*:1])c2ccccc2N1
Cc1ccc(C2=CC(=O)N(CC(=O)Nc3ccccc3F)c3ccccc3N2)cc1 O=C(Nc1ccccc1F)[*:1] Cc1ccc(cc1)C1=CC(=O)N(C[*:1])c2ccccc2N1
Cc1ccc(C2=CC(=O)N(CC(=O)Nc3ccccc3F)c3ccccc3N2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1C(=O)C=C(Nc2ccccc21)[*:1])Nc1ccccc1F
CCOC(=O)c1cccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)c1 CCOC(=O)[*:1] O=C(NC[C@@H](O)c1ccc(F)cc1)Nc1cccc(c1)[*:1]
CCOC(=O)c1cccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CCOC(=O)c1cccc(c1)NC(=O)NC[C@@H](O)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(Cl)c(Cl)c1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(Cl)c(Cl)c1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 Clc1ccc(cc1Cl)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 Cc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1
CCOC(=O)NCCC(=O)Nc1ccccc1N(C)C CN(C)[*:1] CCOC(=O)NCCC(=O)Nc1ccccc1[*:1]
CCOC(=O)NCCC(=O)Nc1ccccc1N(C)C CCOC(=O)N[*:1] CN(C)c1ccccc1NC(=O)CC[*:1]
O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N1CCSCC1 c1ccc(cc1)[*:1] O=C(NCCCC[NH+]1CCN(CC1)[*:1])N1CCSCC1
CC(C)C[NH2+]Cc1ccc(CN2CCOCC2)nc1 C1CN(CCO1)[*:1] CC(C)C[NH2+]Cc1ccc(C[*:1])nc1
CC(C)C[NH2+]Cc1ccc(CN2CCOCC2)nc1 CC(C)C[*:1] c1cc(CN2CCOCC2)ncc1C[NH2+][*:1]
CC(C)C[NH2+]Cc1ccc(CN2CCOCC2)nc1 CC(C)[*:1] c1cc(CN2CCOCC2)ncc1C[NH2+]C[*:1]
O=C(Nc1ccc(OCCc2ccccc2)cc1)C1CCCC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)OCC[*:1])C1CCCC1
O=C(Nc1ccc(OCCc2ccccc2)cc1)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1ccc(cc1)OCCc1ccccc1)[*:1]
O=C(Nc1ccc(OCCc2ccccc2)cc1)C1CCCC1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)OC[*:1])C1CCCC1
CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(n1-c1ccccc1)[*:1]
CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 CCNC(=O)NC(=O)[*:1] C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)[*:1]
CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1[*:1]
O=C([C@@H]1COc2ccccc2O1)N(CC[NH+]1CCOCC1)c1nc2c(F)cc(F)cc2s1 c1ccc2O[C@@H](COc2c1)[*:1] O=C(N(CC[NH+]1CCOCC1)c1nc2c(F)cc(F)cc2s1)[*:1]
CCc1ncc(C[NH+](C)Cc2cnc3cc(C)ccn23)s1 CCc1ncc(s1)[*:1] Cc1ccn2c(cnc2c1)C[NH+](C)C[*:1]
O=C(c1cnoc1-c1ccccc1)N1CCN(c2ccccc2)C(=O)C1 c1ccc(cc1)[*:1] O=C(c1cnoc1-c1ccccc1)N1CCN(C(=O)C1)[*:1]
O=C(c1cnoc1-c1ccccc1)N1CCN(c2ccccc2)C(=O)C1 c1ccc(cc1)[*:1] O=C(c1cnoc1[*:1])N1CCN(C(=O)C1)c1ccccc1
COc1cc(C)c([C@H](C)NC(=O)Nc2ccc(C(C)=O)c(C)c2)cc1OC CC(=O)[*:1] COc1cc(C)c(cc1OC)[C@H](C)NC(=O)Nc1ccc(c(C)c1)[*:1]
CC(C)OC[C@@H](O)c1ccc(F)c(Cl)c1 CC(C)O[*:1] O[C@H](C[*:1])c1ccc(F)c(Cl)c1
CC(C)OC[C@@H](O)c1ccc(F)c(Cl)c1 CC(C)OC[*:1] O[C@@H](c1ccc(F)c(Cl)c1)[*:1]
CC(C)OC[C@@H](O)c1ccc(F)c(Cl)c1 CC(C)[*:1] O[C@H](CO[*:1])c1ccc(F)c(Cl)c1
Cn1c(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)nc2ccccc21 Cn1c(C[*:1])nc2ccccc21 O=C(N[*:1])c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
Cn1c(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)nc2ccccc21 O=S(=O)(N1CCOCC1)[*:1] Cn1c(CNC(=O)c2cc(ccc2N2CCOCC2)[*:1])nc2ccccc21
Cn1c(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)nc2ccccc21 Cn1c(nc2ccccc21)[*:1] O=C(NC[*:1])c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
Cn1c(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)nc2ccccc21 C1CN(CCO1)[*:1] Cn1c(CNC(=O)c2cc(ccc2[*:1])S(=O)(=O)N2CCOCC2)nc2ccccc21
O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1cccc(c1)NC(=S)NC(=O)[*:1])c1ccccc1Cl
O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1F Clc1ccccc1[*:1] O=C(NC(=S)Nc1cccc(c1)NC(=O)[*:1])c1ccccc1F
CCC(=O)N1CCC([NH+](CCc2ccc(Cl)cc2)CC2CC2)CC1 Clc1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)[NH+](CC[*:1])CC1CC1
CCC(=O)N1CCC([NH+](CCc2ccc(Cl)cc2)CC2CC2)CC1 C1CC1C[*:1] CCC(=O)N1CCC(CC1)[NH+](CCc1ccc(Cl)cc1)[*:1]
CCC(=O)N1CCC([NH+](CCc2ccc(Cl)cc2)CC2CC2)CC1 Clc1ccc(cc1)C[*:1] CCC(=O)N1CCC(CC1)[NH+](CC1CC1)C[*:1]
CCC(=O)N1CCC([NH+](CCc2ccc(Cl)cc2)CC2CC2)CC1 C1CC1[*:1] CCC(=O)N1CCC(CC1)[NH+](CCc1ccc(Cl)cc1)C[*:1]
C[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4ncccc4c3)C[C@H]2CCCO)CC1 OCCC[*:1] C[NH+]1CCN(CC1)[C@H]1CCN(C[C@@H]1[*:1])C(=O)c1ccc2ncccc2c1
C[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4ncccc4c3)C[C@H]2CCCO)CC1 OCC[*:1] C[NH+]1CCN(CC1)[C@H]1CCN(C[C@H]1C[*:1])C(=O)c1ccc2ncccc2c1
CCc1ccc(N2CC(=O)C(c3nc4ccc(C)cc4c(=O)[nH]3)=C2N)cc1 CCc1ccc(cc1)[*:1] Cc1ccc2nc([nH]c(=O)c2c1)C1C(=O)CN(C=1N)[*:1]
COCCOC[C@H]1CCN(c2ncnc3sc(C)cc23)C1 COCC[*:1] Cc1cc2c(ncnc2s1)N1CC[C@H](CO[*:1])C1
COCCOC[C@H]1CCN(c2ncnc3sc(C)cc23)C1 COCCOC[*:1] Cc1cc2c(ncnc2s1)N1CC[C@@H](C1)[*:1]
COCCOC[C@H]1CCN(c2ncnc3sc(C)cc23)C1 COC[*:1] Cc1cc2c(ncnc2s1)N1CC[C@H](COC[*:1])C1
COCCOC[C@H]1CCN(c2ncnc3sc(C)cc23)C1 COCCO[*:1] Cc1cc2c(ncnc2s1)N1CC[C@@H](C1)C[*:1]
COc1cc(NC(=O)C[NH+](C)Cc2cn(C)nc2C)cc(OC)c1 Cc1nn(C)cc1[*:1] COc1cc(cc(c1)OC)NC(=O)C[NH+](C)C[*:1]
CC(C)[C@@H]1Nc2ccc(C(=O)NCc3ccccc3Cl)cc2NC1=O Clc1ccccc1[*:1] CC(C)[C@@H]1Nc2ccc(cc2NC1=O)C(=O)NC[*:1]
CC(C)[C@@H]1Nc2ccc(C(=O)NCc3ccccc3Cl)cc2NC1=O Clc1ccccc1C[*:1] CC(C)[C@@H]1Nc2ccc(cc2NC1=O)C(=O)N[*:1]
CC(C)[C@@H]1Nc2ccc(C(=O)NCc3ccccc3Cl)cc2NC1=O CC(C)[*:1] O=C(NCc1ccccc1Cl)c1ccc2N[C@H](C(=O)Nc2c1)[*:1]
C[C@H](NC(=O)NCc1ccc(Cl)nc1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)NCc1ccc(Cl)nc1)c1nc(no1)[*:1]
C[C@H](NC(=O)NCc1ccc(Cl)nc1)c1nc(C(C)(C)C)no1 Clc1ccc(cn1)[*:1] C[C@H](NC(=O)NC[*:1])c1nc(no1)C(C)(C)C
Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@@H](C)OC[C@@H]3C)cc2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@@H](C)OC[C@@H]3C)cc2)n1 Cc1cc(C)n(n1)[*:1] C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(cc1)C[*:1]
Cc1ccc(C2=NO[C@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C3CC3)C2)cc1 C1CC1[*:1] Cc1ccc(cc1)C1C[C@@H](CN(Cc2ccc(cc2)C(F)(F)F)C(=O)[*:1])ON=1
Cc1ccc(C2=NO[C@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C3CC3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(C1CC1)N(Cc1ccc(cc1)C(F)(F)F)C[C@@H]1CC(=NO1)[*:1]
Cc1ccc(C2=NO[C@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C3CC3)C2)cc1 FC(F)(F)c1ccc(cc1)[*:1] Cc1ccc(cc1)C1C[C@@H](CN(C[*:1])C(=O)C2CC2)ON=1
Cc1ccc(C2=NO[C@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C3CC3)C2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C1C[C@@H](CN(Cc2ccc(cc2)[*:1])C(=O)C2CC2)ON=1
N#Cc1ccc(CNCCc2coc(-c3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(cc1)CNCCc1coc(n1)[*:1]
N#Cc1ccc(CNCCc2coc(-c3ccc(F)cc3)n2)cc1 N#Cc1ccc(cc1)[*:1] Fc1ccc(cc1)-c1nc(co1)CCNC[*:1]
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc21 c1ccc(cc1)[*:1] CC(=O)N1C[C@H](C)Sc2ccc(cc21)S(=O)(=O)Nc1c(C)n(C)n(c1=O)[*:1]
Cc1nc(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cs1 Cc1nc(cs1)[*:1] C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC[*:1])C2=O
Cc1nc(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cs1 Cc1nc(cs1)C[*:1] C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[*:1])C2=O
Cc1nc(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cs1 Cc1nc(cs1)CC[*:1] C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N[*:1])C2=O
O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN1C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN1C(=O)OC[*:1]
O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN1C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN1C(=O)O[*:1]
N[C@H](C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1)c1ccccc1 OCC[*:1] N[C@H](C(=O)N1CCC2(CCC(=O)N(C2)C[*:1])CC1)c1ccccc1
N[C@H](C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1)c1ccccc1 N[C@H](c1ccccc1)[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1CCCO
N[C@H](C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1)c1ccccc1 OCCC[*:1] N[C@H](C(=O)N1CCC2(CCC(=O)N(C2)[*:1])CC1)c1ccccc1
N[C@H](C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1)c1ccccc1 c1ccc(cc1)[*:1] N[C@H](C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1)[*:1]
Cc1cnc(NC(=O)CCn2cc(Br)ccc2=O)s1 Cc1cnc(s1)[*:1] O=C(CCn1cc(Br)ccc1=O)N[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cnc(SC)n2-c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)c1cnc(SC)n1[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cnc(SC)n2-c2ccc(F)cc2)C1 CCO[*:1] CSc1ncc(C(=O)N2CCC[C@H](C2)C[*:1])n1-c1ccc(F)cc1
CCOC[C@@H]1CCCN(C(=O)c2cnc(SC)n2-c2ccc(F)cc2)C1 CCOC[*:1] CSc1ncc(C(=O)N2CCC[C@H](C2)[*:1])n1-c1ccc(F)cc1
O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)[*:1]
O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)C[*:1]
O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1 Clc1cccc(c1)[*:1] O=C(N1CCN(CC1)Cc1ccccc1)[*:1]
CC[C@@H]1C[C@@]1(O)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@@H]1C[C@@]1(O)c1cccc(c1)OC[*:1]
COc1ccc(OC)c(/C=c2\sc3nnc(-c4ccccc4C)n3c2=O)c1 Cc1ccccc1[*:1] COc1ccc(OC)c(/C=c2\sc3nnc(n3c2=O)[*:1])c1
COc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)c(OC)c1 CC(=O)N[*:1] COc1ccc(NC(=O)C[C@@H](c2ccc(Cl)cc2)[*:1])c(c1)OC
COc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)c(OC)c1 Clc1ccc(cc1)[*:1] COc1ccc(NC(=O)C[C@@H](NC(C)=O)[*:1])c(c1)OC
CS(=O)(=O)CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 c1ccc(cc1)[*:1] CS(=O)(=O)CCC(=O)N[C@@H](c1ccc2nc[nH]c2c1)[*:1]
CS(=O)(=O)CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 CS(=O)(=O)CC[*:1] O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[*:1]
CS(=O)(=O)CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 CS(=O)(=O)[*:1] O=C(CC[*:1])N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1
CS(=O)(=O)CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 CS(=O)(=O)C[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1
C[C@H](C(=O)NCc1cccc(F)c1)n1sc2ccccc2c1=O Fc1cccc(c1)[*:1] C[C@H](C(=O)NC[*:1])n1sc2ccccc2c1=O
CN(C(=O)C[S@@](=O)Cc1nnnn1-c1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] CN(C(=O)C[S@@](=O)Cc1nnnn1[*:1])C1CCCCC1
CN(C(=O)C[S@@](=O)Cc1nnnn1-c1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)C[S@@](=O)Cc1nnnn1-c1ccccc1)[*:1]
C#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])c(F)cc1F O=C([O-])C[*:1] C#CCN(C(=O)c1cc(c(F)cc1F)[N+](=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])c(F)cc1F O=C([O-])[*:1] C#CCN(C[*:1])C(=O)c1cc(c(F)cc1F)[N+](=O)[O-]
C#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])c(F)cc1F C#CC[*:1] O=C([O-])CN(C(=O)c1cc(c(F)cc1F)[N+](=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])c(F)cc1F O=[N+]([O-])[*:1] C#CCN(CC(=O)[O-])C(=O)c1cc(c(F)cc1F)[*:1]
COCCCNc1nc2c(-c3ccc(C)cc3)nnn2c2ccccc12 Cc1ccc(cc1)[*:1] COCCCNc1nc2c(nnn2c2ccccc12)[*:1]
COCCCNc1nc2c(-c3ccc(C)cc3)nnn2c2ccccc12 COC[*:1] Cc1ccc(cc1)-c1nnn2c1nc(NCC[*:1])c1ccccc12
COCCCNc1nc2c(-c3ccc(C)cc3)nnn2c2ccccc12 COCC[*:1] Cc1ccc(cc1)-c1nnn2c1nc(NC[*:1])c1ccccc12
COCCCNc1nc2c(-c3ccc(C)cc3)nnn2c2ccccc12 COCCC[*:1] Cc1ccc(cc1)-c1nnn2c1nc(N[*:1])c1ccccc12
COCCCNc1nc2c(-c3ccc(C)cc3)nnn2c2ccccc12 COCCCN[*:1] Cc1ccc(cc1)-c1nnn2c1nc(c1ccccc12)[*:1]
CN(CCC#N)C(=O)CN1C(=O)c2ccccc2S1(=O)=O N#CC[*:1] CN(C[*:1])C(=O)CN1C(=O)c2ccccc2S1(=O)=O
CN(CCC#N)C(=O)CN1C(=O)c2ccccc2S1(=O)=O N#CCC[*:1] CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[*:1]
Cc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)s1 FC(F)(F)[*:1] Cc1ccc(s1)C(=O)Nc1ccc(C)c(c1)[*:1]
Cc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)s1 Cc1ccc(s1)[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)[*:1]
CC[C@H](CC#N)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 N#CC[*:1] CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(cc1C)NC(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)c(C)c1 Cc1ccc(cc1C)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1noc(-c2ccc(N3CC[C@@H](NC(=O)c4n[nH]c5ccccc45)C3)nc2)n1 Cc1noc(n1)[*:1] O=C(N[C@@H]1CCN(C1)c1ccc(cn1)[*:1])c1n[nH]c2ccccc12
Cc1noc(-c2ccc(N3CC[C@@H](NC(=O)c4n[nH]c5ccccc45)C3)nc2)n1 c1ccc2c(n[nH]c2c1)[*:1] Cc1noc(n1)-c1ccc(nc1)N1CC[C@H](C1)NC(=O)[*:1]
COc1ccc(Cl)cc1/C=C/C(=O)NC[C@@](C)(O)c1cnn(C)c1 Cn1cc(cn1)[*:1] COc1ccc(Cl)cc1/C=C/C(=O)NC[C@@](C)(O)[*:1]
O=C(Cc1csc(-c2cccc(F)c2)n1)N(Cc1ccccc1F)C1CC1 C1CC1[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)N(Cc1ccccc1F)[*:1]
O=C(Cc1csc(-c2cccc(F)c2)n1)N(Cc1ccccc1F)C1CC1 Fc1ccccc1[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)N(C[*:1])C1CC1
O=C(Cc1csc(-c2cccc(F)c2)n1)N(Cc1ccccc1F)C1CC1 Fc1cccc(c1)[*:1] O=C(Cc1csc(n1)[*:1])N(Cc1ccccc1F)C1CC1
O=C(Cc1csc(-c2cccc(F)c2)n1)N(Cc1ccccc1F)C1CC1 Fc1ccccc1C[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)N(C1CC1)[*:1]
Cc1ccccc1-c1cc2c(N3CCC(O)CC3)nccn2n1 Cc1ccccc1[*:1] OC1CCN(CC1)c1nccn2nc(cc12)[*:1]
Cc1ccccc1-c1cc2c(N3CCC(O)CC3)nccn2n1 OC1CCN(CC1)[*:1] Cc1ccccc1-c1cc2c(nccn2n1)[*:1]
CC[NH2+][C@H](C(CC)CC)C1CCC1 C1CC(C1)[*:1] CC[NH2+][C@H](C(CC)CC)[*:1]
CC(C)(C[NH+](CC(N)=O)C1CCCC1)C(=O)[O-] O=C([O-])[*:1] CC(C)(C[NH+](CC(N)=O)C1CCCC1)[*:1]
CC(C)(C[NH+](CC(N)=O)C1CCCC1)C(=O)[O-] NC(=O)C[*:1] CC(C)(C[NH+](C1CCCC1)[*:1])C(=O)[O-]
CC(C)(C[NH+](CC(N)=O)C1CCCC1)C(=O)[O-] C1CCC(C1)[*:1] CC(C)(C[NH+](CC(N)=O)[*:1])C(=O)[O-]
CC(C)(C[NH+](CC(N)=O)C1CCCC1)C(=O)[O-] NC(=O)[*:1] CC(C)(C[NH+](C[*:1])C1CCCC1)C(=O)[O-]
CC(C)(C)[NH2+]CC/C=C/c1ccccc1C(F)(F)F FC(F)(F)[*:1] CC(C)(C)[NH2+]CC/C=C/c1ccccc1[*:1]
CC(C)(C)[NH2+]CC/C=C/c1ccccc1C(F)(F)F CC(C)(C)[*:1] FC(F)(F)c1ccccc1/C=C/CC[NH2+][*:1]
O=[N+]([O-])c1ccc(N2CCCC[C@H]2CO)cc1OC(F)F O=[N+]([O-])[*:1] OC[C@@H]1CCCCN1c1ccc(c(c1)OC(F)F)[*:1]
O=[N+]([O-])c1ccc(N2CCCC[C@H]2CO)cc1OC(F)F FC(F)O[*:1] O=[N+]([O-])c1ccc(cc1[*:1])N1CCCC[C@H]1CO
O=[N+]([O-])c1ccc(N2CCCC[C@H]2CO)cc1OC(F)F FC(F)[*:1] O=[N+]([O-])c1ccc(cc1O[*:1])N1CCCC[C@H]1CO
C[C@@H](CC/[NH+]=C(/N)N[C@H]1CCOc2ccccc21)c1ccccc1 C[C@@H](c1ccccc1)[*:1] N/C(N[C@H]1CCOc2ccccc21)=[NH+]/CC[*:1]
C[C@@H](CC/[NH+]=C(/N)N[C@H]1CCOc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC/[NH+]=C(/N)N[C@H]1CCOc2ccccc21)[*:1]
O=C(Nc1cnccn1)c1cc(-c2cccc(Br)c2)nc2c(Cl)cccc12 c1cnc(cn1)[*:1] O=C(N[*:1])c1cc(nc2c(Cl)cccc12)-c1cccc(Br)c1
O=C(Nc1cnccn1)c1cc(-c2cccc(Br)c2)nc2c(Cl)cccc12 O=C(Nc1cnccn1)[*:1] Clc1cccc2c(cc(nc12)-c1cccc(Br)c1)[*:1]
O=C(Nc1cnccn1)c1cc(-c2cccc(Br)c2)nc2c(Cl)cccc12 Brc1cccc(c1)[*:1] O=C(Nc1cnccn1)c1cc(nc2c(Cl)cccc12)[*:1]
O=C([O-])c1ccn(Cc2c(Cl)cccc2Cl)c1 O=C([O-])[*:1] Clc1cccc(Cl)c1Cn1ccc(c1)[*:1]
Cc1cccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3ncnn32)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)[C@@H]1C[C@H](Nc2ncnn21)[*:1]
Cc1cccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3ncnn32)c1 Cc1cccc(c1)[*:1] Fc1ccc(cc1)[C@H]1C[C@H](n2ncnc2N1)[*:1]
Cc1nc2c(cc(OCC(=O)Nc3ccccc3C)c3ccsc32)s1 Cc1ccccc1[*:1] Cc1nc2c(cc(OCC(=O)N[*:1])c3ccsc32)s1
CCOc1cc(CNC(=O)N2CCC(C(=O)N(C)C)CC2)ccn1 CCO[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)NCc1ccnc(c1)[*:1]
CCOc1cc(CNC(=O)N2CCC(C(=O)N(C)C)CC2)ccn1 CN(C)C(=O)[*:1] CCOc1cc(ccn1)CNC(=O)N1CCC(CC1)[*:1]
COC[C@@H](C)N1CCN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CC1 COC[C@@H](C)[*:1] C/C(=C/C(=O)N1CCN(CC1)[*:1])c1ccccc1OC(F)F
COC[C@@H](C)N1CCN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CC1 FC(F)[*:1] COC[C@@H](C)N1CCN(CC1)C(=O)/C=C(/C)c1ccccc1O[*:1]
COC[C@@H](C)N1CCN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CC1 FC(F)O[*:1] COC[C@@H](C)N1CCN(CC1)C(=O)/C=C(/C)c1ccccc1[*:1]
COC[C@@H](C)N1CCN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CC1 COC[*:1] C/C(=C/C(=O)N1CCN(CC1)[C@H](C)[*:1])c1ccccc1OC(F)F
O=C(NCCc1cccs1)c1cccn1-c1nnc(N2CCCC2)s1 c1csc(c1)CC[*:1] O=C(N[*:1])c1cccn1-c1nnc(s1)N1CCCC1
O=C(NCCc1cccs1)c1cccn1-c1nnc(N2CCCC2)s1 c1csc(c1)[*:1] O=C(NCC[*:1])c1cccn1-c1nnc(s1)N1CCCC1
O=C(NCCc1cccs1)c1cccn1-c1nnc(N2CCCC2)s1 c1csc(c1)C[*:1] O=C(NC[*:1])c1cccn1-c1nnc(s1)N1CCCC1
O=C(NCCc1cccs1)c1cccn1-c1nnc(N2CCCC2)s1 C1CCN(C1)[*:1] O=C(NCCc1cccs1)c1cccn1-c1nnc(s1)[*:1]
COc1ccc2ccccc2c1[C@H]1CC(c2ccccc2)=Nc2[nH]c(=O)[nH]c(=O)c21 c1ccc(cc1)[*:1] COc1ccc2ccccc2c1[C@H]1CC(=Nc2[nH]c(=O)[nH]c(=O)c21)[*:1]
C[S@@](=O)c1cccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 C[S@@](=O)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1C[C@H]2CCCC[C@@H]2C1
Cc1cn2cc(NC(=O)c3cnc(-c4ccccc4)nc3)ccc2n1 c1ccc(cc1)[*:1] Cc1cn2cc(ccc2n1)NC(=O)c1cnc(nc1)[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 CC(C)C[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 CC(C)CNC(=O)[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(cc1)[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 N#Cc1ccccc1[*:1] CC(C)CNC(=O)c1ccc(cc1)NC(=O)[C@@H](C)O[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 CC(C)[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CC(C)CNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 N#Cc1ccccc1O[*:1] CC(C)CNC(=O)c1ccc(cc1)NC(=O)[C@@H](C)[*:1]
C/C(=C\CC[NH2+]C(C)(C)C)Cc1nc2ccccc2s1 CC(C)(C)[*:1] C/C(=C\CC[NH2+][*:1])Cc1nc2ccccc2s1
COc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1F C1CC1[*:1] COc1ccc(cc1F)CSc1nnc(n1-c1ccccc1)[*:1]
COc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)CSc1nnc(C2CC2)n1[*:1]
COc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)cc1 FC(F)O[*:1] COc1ccc(cc1)C(=O)/C=C/c1ccccc1[*:1]
COc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)cc1 FC(F)[*:1] COc1ccc(cc1)C(=O)/C=C/c1ccccc1O[*:1]
C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 O=S(=O)(C[*:1])C(F)F C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(cc1)[*:1]
C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(cc1)C[*:1]
C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 FC(F)[*:1] C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(cc1)CS(=O)(=O)[*:1]
O=C(OCC(=O)N1CCc2ccccc21)c1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(OCC(=O)N1CCc2ccccc21)c1ncn(n1)[*:1]
COc1cc(F)cc(CNC(=O)N(C)[C@@H](C)Cc2ccsc2)c1 c1cc(cs1)C[*:1] COc1cc(F)cc(c1)CNC(=O)N(C)[C@@H](C)[*:1]
COc1cc(F)cc(CNC(=O)N(C)[C@@H](C)Cc2ccsc2)c1 c1cc(cs1)[*:1] COc1cc(F)cc(c1)CNC(=O)N(C)[C@@H](C)C[*:1]
CS(=O)(=O)NC1CCN(C(=O)c2ccc(F)cc2F)CC1 CS(=O)(=O)N[*:1] O=C(c1ccc(F)cc1F)N1CCC(CC1)[*:1]
O=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1NCCc2ccc(cc21)NC(=O)[*:1]
C[C@@H](C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)[S@](C)=O C[S@](=O)[*:1] C[C@@H](C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)[*:1]
COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(C)c2C)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1cccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2[*:1])c1C
COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(C)c2C)cc1Cl Cc1cccc(c1C)[*:1] COc1ccc(cc1Cl)[C@@H]1Nn2c(C)nnc2S[C@@H]1C(=O)N[*:1]
c1ccc([C@H](CNc2ncnc3[nH]ncc23)N2CCOCC2)cc1 c1ccc(cc1)[*:1] c1nc(NC[C@H](N2CCOCC2)[*:1])c2cn[nH]c2n1
c1ccc([C@H](CNc2ncnc3[nH]ncc23)N2CCOCC2)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)[C@H](CNc1ncnc2[nH]ncc12)[*:1]
CC(C)CCCC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 CC(C)CC[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)C[*:1])-c1ccncc1
CC(C)CCCC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 CN(C)[*:1] CC(C)CCCC(=O)N1CCc2c(C1)nc(nc2[*:1])-c1ccncc1
CC(C)CCCC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 CC(C)[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)CCC[*:1])-c1ccncc1
CC(C)CCCC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 c1cc(ccn1)[*:1] CC(C)CCCC(=O)N1CCc2c(C1)nc(nc2N(C)C)[*:1]
CC(C)CCCC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 CC(C)C[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)CC[*:1])-c1ccncc1
CC(C)CCCC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 CC(C)CCC[*:1] CN(C)c1nc(nc2CN(CCc21)C(=O)[*:1])-c1ccncc1
C=CCNC(=O)N1CCC[C@H](C(=O)Nc2ncccc2C)C1 C=CC[*:1] Cc1cccnc1NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
C=CCNC(=O)N1CCC[C@H](C(=O)Nc2ncccc2C)C1 Cc1cccnc1[*:1] C=CCNC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccco2)CC1 C(=C[*:1])c1ccco1 CC[NH+]1CCN(CC1)c1c(Cl)cccc1NC(=O)[*:1]
CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccco2)CC1 c1coc(c1)[*:1] CC[NH+]1CCN(CC1)c1c(Cl)cccc1NC(=O)C=C[*:1]
Cn1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)n1 c1coc(c1)[*:1] Cn1ccc(n1)NC(=O)N(CC[NH+](C)C)C[*:1]
Cn1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)n1 Cn1ccc(n1)[*:1] C[NH+](C)CCN(Cc1ccco1)C(=O)N[*:1]
Cn1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)n1 c1coc(c1)C[*:1] Cn1ccc(n1)NC(=O)N(CC[NH+](C)C)[*:1]
COc1cccc(-c2noc(Cn3c(=O)n(-c4ccc(F)cc4)c(=O)c4sccc43)n2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)-c1noc(Cn2c(=O)n(c(=O)c3sccc32)[*:1])n1
COc1cccc(-c2noc(Cn3c(=O)n(-c4ccc(F)cc4)c(=O)c4sccc43)n2)c1 COc1cccc(c1)[*:1] O=c1c2sccc2n(Cc2nc(no2)[*:1])c(=O)n1-c1ccc(F)cc1
Cc1ccc(F)cc1S(=O)(=O)N(C1CC1)[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] Cc1ccc(F)cc1S(=O)(=O)N(C1CC1)[*:1]
Cc1ccc(F)cc1S(=O)(=O)N(C1CC1)[C@@H](C)C(C)C C1CC1[*:1] Cc1ccc(F)cc1S(=O)(=O)N([C@@H](C)C(C)C)[*:1]
Cc1ccc(F)cc1S(=O)(=O)N(C1CC1)[C@@H](C)C(C)C CC(C)[*:1] Cc1ccc(F)cc1S(=O)(=O)N(C1CC1)[C@@H](C)[*:1]
O=C(Cc1cccc(Cl)c1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Cc1cccc(Cl)c1)NNC(=O)c1nc(n(n1)-c1ccccc1)[*:1]
O=C(Cc1cccc(Cl)c1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Cc1cccc(Cl)c1)NNC(=O)c1nc(-c2ccccc2)n(n1)[*:1]
O=C(Cc1cccc(Cl)c1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 Clc1cccc(c1)C[*:1] O=C(NNC(=O)[*:1])c1nc(-c2ccccc2)n(n1)-c1ccccc1
O=C(Cc1cccc(Cl)c1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 Clc1cccc(c1)[*:1] O=C(C[*:1])NNC(=O)c1nc(-c2ccccc2)n(n1)-c1ccccc1
C[NH+](CCNC(=O)C(=O)Nc1c(F)cc(F)cc1F)C1CCCC1 C1CCC(C1)[*:1] C[NH+](CCNC(=O)C(=O)Nc1c(F)cc(F)cc1F)[*:1]
O=C(NCc1ccccc1OC1CCCC1)NNC(=O)Nc1ccccc1 C1CCC(C1)[*:1] O=C(NCc1ccccc1O[*:1])NNC(=O)Nc1ccccc1
O=C(NCc1ccccc1OC1CCCC1)NNC(=O)Nc1ccccc1 C1CCC(C1)O[*:1] O=C(NCc1ccccc1[*:1])NNC(=O)Nc1ccccc1
O=C(NCc1ccccc1OC1CCCC1)NNC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1OC1CCCC1)NNC(=O)N[*:1]
CCCOc1ccc2c(c1)OCC(C#N)=C2 CCC[*:1] N#CC1=Cc2ccc(cc2OC1)O[*:1]
CCCOc1ccc2c(c1)OCC(C#N)=C2 CCCO[*:1] N#CC1=Cc2ccc(cc2OC1)[*:1]
O=C(NCc1ccc(F)cc1)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 O=[N+]([O-])[*:1] O=C(NCc1ccc(F)cc1)C1CCN(CC1)c1ccc(cn1)[*:1]
O=C(NCc1ccc(F)cc1)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]
O=C(NCc1ccc(F)cc1)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]
Cc1ccccc1NC(=O)CS[C@H]1N=NC(=O)[C@H]2CC(c3ccco3)=NN12 c1coc(c1)[*:1] Cc1ccccc1NC(=O)CS[C@H]1N=NC(=O)[C@H]2CC(=NN12)[*:1]
Cc1ccccc1NC(=O)CS[C@H]1N=NC(=O)[C@H]2CC(c3ccco3)=NN12 Cc1ccccc1[*:1] O=C(CS[C@H]1N=NC(=O)[C@H]2CC(=NN12)c1ccco1)N[*:1]
O=c1ccc2cc(S(=O)(=O)Nc3ccccc3-c3nnc4n3CCCCC4)ccc2o1 C1CCc2nnc(n2CC1)[*:1] O=c1ccc2cc(ccc2o1)S(=O)(=O)Nc1ccccc1[*:1]
O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nc(-c2ccsc2)no1 c1cc(cs1)[*:1] O=c1ccc(cn1Cc1nc(no1)[*:1])S(=O)(=O)N1CCCC1
O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nc(-c2ccsc2)no1 O=S(=O)(N1CCCC1)[*:1] O=c1ccc(cn1Cc1nc(no1)-c1ccsc1)[*:1]
CCOc1ccc(SCC(=O)N2CCc3nn(C)c(=O)cc3C2)cc1 CCO[*:1] Cn1nc2CCN(Cc2cc1=O)C(=O)CSc1ccc(cc1)[*:1]
CN(c1cccn[nH+]1)C1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 NC(=O)[*:1] CN(c1cccn[nH+]1)C1CC[NH+](CC1)Cc1cc(cs1)[*:1]
C[C@H](NC(=O)NC[C@H]1CCCN(c2ncccn2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
C[C@H](NC(=O)NC[C@H]1CCCN(c2ncccn2)C1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)N[*:1]
C[C@H](NC(=O)NC[C@H]1CCCN(c2ncccn2)C1)c1ccccc1 c1cnc(nc1)[*:1] C[C@H](NC(=O)NC[C@H]1CCCN(C1)[*:1])c1ccccc1
CCC(=O)N1CCC([NH2+]Cc2ccc(C)cc2OCC2CC2)CC1 C1CC1C[*:1] CCC(=O)N1CCC(CC1)[NH2+]Cc1ccc(C)cc1O[*:1]
CCC(=O)N1CCC([NH2+]Cc2ccc(C)cc2OCC2CC2)CC1 C1CC1CO[*:1] CCC(=O)N1CCC(CC1)[NH2+]Cc1ccc(C)cc1[*:1]
CCC(=O)N1CCC([NH2+]Cc2ccc(C)cc2OCC2CC2)CC1 C1CC1[*:1] CCC(=O)N1CCC(CC1)[NH2+]Cc1ccc(C)cc1OC[*:1]
CC(C)c1nc2ccc(N3C(=O)[C@@H](C)NC3=S)cc2s1 CC(C)[*:1] C[C@H]1NC(=S)N(C1=O)c1ccc2nc(sc2c1)[*:1]
O=C(NC[C@H]1CCC[C@@H]1O)c1cn(C2C[NH2+]C2)nn1 O[C@H]1CCC[C@@H]1[*:1] O=C(NC[*:1])c1cn(nn1)C1C[NH2+]C1
Cc1ccc(-c2cc(CNC(=O)c3ccccn3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1cc(on1)[*:1])c1ccccn1
Cc1ccc(-c2cc(CNC(=O)c3ccccn3)no2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)-c1cc(CNC(=O)[*:1])no1
O=C([O-])c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] O=C([O-])c1cccc(c1)OS(=O)(=O)c1cccc(c1)[*:1]
O=C([O-])c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 O=C([O-])[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)Oc1cccc(c1)[*:1]
C[C@@H]([NH2+]CCC(=O)NC1CC1)C(=O)NC(C)(C)C O=C(NC1CC1)[*:1] C[C@@H]([NH2+]CC[*:1])C(=O)NC(C)(C)C
C[C@@H]([NH2+]CCC(=O)NC1CC1)C(=O)NC(C)(C)C C1CC1[*:1] C[C@@H]([NH2+]CCC(=O)N[*:1])C(=O)NC(C)(C)C
C[C@@H]([NH2+]CCC(=O)NC1CC1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H]([NH2+]CCC(=O)NC1CC1)C(=O)N[*:1]
C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC(C1CC1)C1CC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[*:1])C(=O)NC(C1CC1)C1CC1
C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC(C1CC1)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC(C1CC1)[*:1]
C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[*:1]
Nc1cc(-c2ccsc2)ccc1C(=O)[O-] O=C([O-])[*:1] Nc1cc(ccc1[*:1])-c1ccsc1
Nc1cc(-c2ccsc2)ccc1C(=O)[O-] c1cc(cs1)[*:1] Nc1cc(ccc1C(=O)[O-])[*:1]
COc1cc(-c2nnc3n(Cc4ccc(C)cc4)c(=O)c4ccccc4n23)cc(OC)c1OC Cc1ccc(cc1)C[*:1] COc1cc(cc(OC)c1OC)-c1nnc2n(c(=O)c3ccccc3n12)[*:1]
COc1cc(-c2nnc3n(Cc4ccc(C)cc4)c(=O)c4ccccc4n23)cc(OC)c1OC Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-c1nnc2n(C[*:1])c(=O)c3ccccc3n12
CC(C)N(C(=O)c1ccc(-c2cscn2)cc1)C(C)C c1nc(cs1)[*:1] CC(C)N(C(=O)c1ccc(cc1)[*:1])C(C)C
CC(C)N(C(=O)c1ccc(-c2cscn2)cc1)C(C)C CC(C)[*:1] CC(C)N(C(=O)c1ccc(cc1)-c1cscn1)[*:1]
C[C@@H](C(=O)NC[C@H](CCO)c1ccccc1)c1ccsc1 OCC[*:1] C[C@@H](C(=O)NC[C@H](c1ccccc1)[*:1])c1ccsc1
C[C@@H](C(=O)NC[C@H](CCO)c1ccccc1)c1ccsc1 C[C@@H](c1ccsc1)[*:1] O=C(NC[C@H](CCO)c1ccccc1)[*:1]
C[C@@H](C(=O)NC[C@H](CCO)c1ccccc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)NC[C@H](CCO)c1ccccc1)[*:1]
C[C@@H](C(=O)NC[C@H](CCO)c1ccccc1)c1ccsc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC[C@H](CCO)[*:1])c1ccsc1
CC(C)[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)N1CCC[C@@H](C)C1 CC(C)[*:1] C[C@@H]1CCCN(C1)C(=O)[C@@H](OC(=O)c1n[nH]c2ccccc12)[*:1]
CC1(C)CC[NH+](CC[NH2+]CCc2ccsc2)C1 c1cc(cs1)[*:1] CC1(C)CC[NH+](CC[NH2+]CC[*:1])C1
CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 Fc1ccc(c(F)c1)[*:1] CC[C@@H](N1CCN(CC1)Cc1n[nH]c(=O)[nH]1)[*:1]
CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 O=c1[nH]nc(C[*:1])[nH]1 CC[C@@H](c1ccc(F)cc1F)N1CCN(CC1)[*:1]
CC[C@@H](c1ccc(F)cc1F)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 O=c1[nH]nc([nH]1)[*:1] CC[C@@H](c1ccc(F)cc1F)N1CCN(CC1)C[*:1]
Cc1cnn(-c2ccc(C(=O)Nc3cc(C)c(F)cc3C(N)=O)cc2)c1 Cc1cnn(c1)[*:1] Cc1cc(NC(=O)c2ccc(cc2)[*:1])c(cc1F)C(N)=O
Cc1cnn(-c2ccc(C(=O)Nc3cc(C)c(F)cc3C(N)=O)cc2)c1 NC(=O)[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)Nc1cc(C)c(F)cc1[*:1]
CCc1nnc(N2C(=O)c3oc4cc(OC)ccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)s1 CCc1nnc(s1)[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N([C@@H]3c1cccc(c1)[N+](=O)[O-])[*:1]
CCc1nnc(N2C(=O)c3oc4cc(OC)ccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)s1 O=[N+]([O-])c1cccc(c1)[*:1] CCc1nnc(s1)N1C(=O)c2oc3cc(ccc3c(=O)c2[C@@H]1[*:1])OC
CCc1nnc(N2C(=O)c3oc4cc(OC)ccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] CCc1nnc(s1)N1C(=O)c2oc3cc(ccc3c(=O)c2[C@H]1c1cccc(c1)[*:1])OC
CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 FC(F)(F)C[*:1] CN(C(=O)CN1CCN(CC1)C(=O)[C@@H]1CCCO1)[*:1]
CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 FC(F)(F)[*:1] CN(C[*:1])C(=O)CN1CCN(CC1)C(=O)[C@@H]1CCCO1
CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] CN(CC(F)(F)F)C(=O)CN1CCN(CC1)C(=O)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)NC3CC3)CC2)cc1 CC(C)(C)[*:1] O=C(NC1CC1)c1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)NC3CC3)CC2)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C(NC1CC1)c1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)NC3CC3)CC2)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1C(=O)N[*:1]
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)NC3CC3)CC2)cc1 O=C(NC1CC1)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1[*:1]
Cc1cccc(N2N=C(C(=O)N3C[C@H](C)O[C@H](C)C3)CCC2=O)c1 Cc1cccc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)C1CCC(=O)N(N=1)[*:1]
C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)NC(=O)NCc2cccs2)C1 c1csc(c1)C[*:1] C[C@H]1CC(C)(C)C[C@](CO)(C1)[NH2+]CC(=O)NC(=O)N[*:1]
C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)NC(=O)NCc2cccs2)C1 c1csc(c1)[*:1] C[C@H]1CC(C)(C)C[C@](CO)(C1)[NH2+]CC(=O)NC(=O)NC[*:1]
CN(C(=O)CSc1nc2ccccc2o1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CSc1nc2ccccc2o1)C(c1ccccc1)[*:1]
CN(C(=O)CSc1nc2ccccc2o1)C(c1ccccc1)c1ccccc1 c1ccc2oc(nc2c1)[*:1] CN(C(=O)CS[*:1])C(c1ccccc1)c1ccccc1
COc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c(OC)c1 Cn1cc(cn1)[*:1] COc1ccc(C[NH+]2CCC(CC2)CNC(=O)[*:1])c(c1)OC
COc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c(OC)c1 Cn1cc(cn1)C(=O)N[*:1] COc1ccc(C[NH+]2CCC(CC2)C[*:1])c(c1)OC
COC(=O)C1=C(C)N=C(c2ccc(OC)cc2F)[C@@H]1[C@@H]1C(=O)Nc2c(Cl)cccc21 COC(=O)[*:1] COc1ccc(C2=NC(C)=C([C@H]2[C@@H]2C(=O)Nc3c(Cl)cccc32)[*:1])c(F)c1
COC(=O)C1=C(C)N=C(c2ccc(OC)cc2F)[C@@H]1[C@@H]1C(=O)Nc2c(Cl)cccc21 COc1ccc(c(F)c1)[*:1] COC(=O)C1=C(C)N=C([C@@H]1[C@@H]1C(=O)Nc2c(Cl)cccc21)[*:1]
CC(C)c1nc(C(=O)NCCc2cscn2)n[nH]1 c1nc(cs1)[*:1] CC(C)c1nc(n[nH]1)C(=O)NCC[*:1]
CC(C)c1nc(C(=O)NCCc2cscn2)n[nH]1 CC(C)[*:1] O=C(NCCc1cscn1)c1n[nH]c(n1)[*:1]
CC(C)c1nc(C(=O)NCCc2cscn2)n[nH]1 c1nc(cs1)C[*:1] CC(C)c1nc(n[nH]1)C(=O)NC[*:1]
NC(=O)c1ccc(CNC(=O)NCCc2ccc3c(c2)CCO3)o1 NC(=O)c1ccc(o1)[*:1] O=C(NCCc1ccc2OCCc2c1)NC[*:1]
NC(=O)c1ccc(CNC(=O)NCCc2ccc3c(c2)CCO3)o1 NC(=O)[*:1] O=C(NCCc1ccc2OCCc2c1)NCc1ccc(o1)[*:1]
COCCNC(=O)c1cc(Cl)ccc1Cl COCC[*:1] O=C(N[*:1])c1cc(Cl)ccc1Cl
COCCNC(=O)c1cc(Cl)ccc1Cl COC[*:1] O=C(NC[*:1])c1cc(Cl)ccc1Cl
Cn1ccs/c1=N\C(=O)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] Cn1ccs/c1=N\C(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc([C@@H]2CCCN2C(=O)Nc2cccn(C)c2=O)cc1 Cn1cccc(c1=O)[*:1] CC(C)c1ccc(cc1)[C@@H]1CCCN1C(=O)N[*:1]
CC(C)c1ccc([C@@H]2CCCN2C(=O)Nc2cccn(C)c2=O)cc1 CC(C)[*:1] Cn1cccc(NC(=O)N2CCC[C@H]2c2ccc(cc2)[*:1])c1=O
Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CC2CCCC2)c1C C1CCC(C1)C[*:1] Cc1noc(-c2cnc(nc2[C@H]2CCCN2C(=O)[*:1])N(C)C)c1C
Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CC2CCCC2)c1C C1CCC(C1)[*:1] Cc1noc(-c2cnc(nc2[C@H]2CCCN2C(=O)C[*:1])N(C)C)c1C
Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CC2CCCC2)c1C Cc1noc(c1C)[*:1] CN(C)c1ncc(c(n1)[C@H]1CCCN1C(=O)CC1CCCC1)[*:1]
Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CC2CCCC2)c1C CN(C)[*:1] Cc1noc(-c2cnc(nc2[C@H]2CCCN2C(=O)CC2CCCC2)[*:1])c1C
Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[NH+]1CCC(CO)CC1 c1ccc(cc1)[*:1] Cc1oc(nc1C[NH+]1CCC(CO)CC1)-c1cccc(c1)O[*:1]
Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[NH+]1CCC(CO)CC1 c1ccc(cc1)O[*:1] Cc1oc(nc1C[NH+]1CCC(CO)CC1)-c1cccc(c1)[*:1]
CSc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] CSc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CC(=O)N(C[C@H]1OC(c2ccccc2F)=NN1C(C)=O)c1ccc(C)cc1 Fc1ccccc1[*:1] CC(=O)N(C[C@H]1OC(=NN1C(C)=O)[*:1])c1ccc(C)cc1
CC(=O)N(C[C@H]1OC(c2ccccc2F)=NN1C(C)=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N1N=C(O[C@@H]1CN(C(C)=O)[*:1])c1ccccc1F
O=C(NCCc1cccc(F)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(NCCc1cccc(F)c1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCc1cccc(F)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 Fc1cccc(c1)C[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)[C@@H]1CCS(=O)(=O)C1
O=C(NCCc1cccc(F)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 Fc1cccc(c1)[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(C1)[C@@H]1CCS(=O)(=O)C1
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](OCCOC)C1 COCC[*:1] CC[NH2+][C@]1(CC[C@H](C1)O[*:1])C(=O)[O-]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](OCCOC)C1 COCCO[*:1] CC[NH2+][C@]1(CC[C@@H](C1)[*:1])C(=O)[O-]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](OCCOC)C1 O=C([O-])[*:1] CC[NH2+][C@]1(CC[C@H](C1)OCCOC)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](OCCOC)C1 COC[*:1] CC[NH2+][C@]1(CC[C@H](C1)OC[*:1])C(=O)[O-]
CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1nn(CC)cc1Cl CCn1cc(Cl)c(n1)[*:1] CCOC(=O)c1cc(sc1NC(=O)[*:1])[C@@H](C)c1ccccc1
CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1nn(CC)cc1Cl c1ccc(cc1)[*:1] CCOC(=O)c1cc(sc1NC(=O)c1nn(cc1Cl)CC)[C@@H](C)[*:1]
CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1nn(CC)cc1Cl CCOC(=O)[*:1] CCn1cc(Cl)c(n1)C(=O)Nc1sc(cc1[*:1])[C@@H](C)c1ccccc1
CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1nn(CC)cc1Cl C[C@@H](c1ccccc1)[*:1] CCOC(=O)c1cc(sc1NC(=O)c1nn(cc1Cl)CC)[*:1]
CCOC(=O)[C@H]1CCCN1C(=O)c1csc(C#CCO)c1 OCC#C[*:1] CCOC(=O)[C@H]1CCCN1C(=O)c1csc(c1)[*:1]
CCOC(=O)[C@H]1CCCN1C(=O)c1csc(C#CCO)c1 CCOC(=O)[*:1] O=C(c1csc(C#CCO)c1)N1CCC[C@@H]1[*:1]
Cc1[nH+]c2ccccn2c1CN1CCCN(CC(F)F)CC1 FC(F)[*:1] Cc1[nH+]c2ccccn2c1CN1CCCN(CC1)C[*:1]
Cc1[nH+]c2ccccn2c1CN1CCCN(CC(F)F)CC1 FC(F)C[*:1] Cc1[nH+]c2ccccn2c1CN1CCCN(CC1)[*:1]
Cc1ccc(C(=O)NCC(=O)N2CCC3(CC2)OC[C@@H](C)O3)cc1C Cc1ccc(cc1C)[*:1] C[C@@H]1COC2(CCN(CC2)C(=O)CNC(=O)[*:1])O1
O=C(Nc1ccc(F)cc1F)[C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1 Fc1ccc(c(F)c1)[*:1] O=C(N[*:1])[C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1
O=C(Nc1ccc(F)cc1F)[C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1F)[C@H]1CCC(=O)N1S(=O)(=O)[*:1]
CCOCCC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C CCOCC[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)[*:1]
CCOCCC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C CCOC[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)C[*:1]
CCOCCC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C CCO[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)CC[*:1]
CCOCCC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C CC(C)(C)[*:1] CCOCCC(=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)O[*:1]
C#CCN1CCN(S(=O)(=O)CCC2CC2)CC1 C1CC1C[*:1] C#CCN1CCN(CC1)S(=O)(=O)C[*:1]
C#CCN1CCN(S(=O)(=O)CCC2CC2)CC1 C#CC[*:1] O=S(=O)(CCC1CC1)N1CCN(CC1)[*:1]
C#CCN1CCN(S(=O)(=O)CCC2CC2)CC1 C1CC1CC[*:1] C#CCN1CCN(CC1)S(=O)(=O)[*:1]
C#CCN1CCN(S(=O)(=O)CCC2CC2)CC1 C1CC1[*:1] C#CCN1CCN(CC1)S(=O)(=O)CC[*:1]
CCOc1ccccc1C(=O)N(C)[C@@H](C)CC CC[C@H](C)[*:1] CCOc1ccccc1C(=O)N(C)[*:1]
CCOc1ccccc1C(=O)N(C)[C@@H](C)CC CCO[*:1] CC[C@H](C)N(C)C(=O)c1ccccc1[*:1]
CC[C@@H](C)c1ccccc1OCC[NH2+]C(C)C CC[C@@H](C)[*:1] CC(C)[NH2+]CCOc1ccccc1[*:1]
CC[C@@H](C)c1ccccc1OCC[NH2+]C(C)C CC(C)[*:1] CC[C@@H](C)c1ccccc1OCC[NH2+][*:1]
Nc1ccc(NC(=O)C(F)(F)F)c(Cl)c1 FC(F)(F)[*:1] Nc1ccc(NC(=O)[*:1])c(Cl)c1
COCc1ccccc1NC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 Cc1ccc(cc1)[*:1] COCc1ccccc1NC(=O)NC[C@H](N1CCOCC1)[*:1]
COCc1ccccc1NC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 C1CN(CCO1)[*:1] COCc1ccccc1NC(=O)NC[C@H](c1ccc(C)cc1)[*:1]
COCc1ccccc1NC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 COCc1ccccc1[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)N[*:1])N1CCOCC1
COCc1ccccc1NC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 COC[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)Nc1ccccc1[*:1])N1CCOCC1
C=CCC[C@@H](O)C1([NH+]2CCCCC2)CCCC1 C=CCC[*:1] O[C@@H](C1(CCCC1)[NH+]1CCCCC1)[*:1]
C=CCC[C@@H](O)C1([NH+]2CCCCC2)CCCC1 C=CC[*:1] O[C@H](C[*:1])C1(CCCC1)[NH+]1CCCCC1
COc1ccc(OC)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)c1 COc1ccc(OC)c(c1)[*:1] Cc1ccc(cc1C)-n1c(nc2ccsc2c1=O)SCC(=O)N[*:1]
COc1ccc(OC)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] COc1ccc(OC)c(c1)NC(=O)CSc1nc2ccsc2c(=O)n1[*:1]
Cc1cccc(N(CCC(N)=O)Cc2nnc(-c3cc(C)oc3C)o2)c1 Cc1cccc(c1)[*:1] Cc1cc(-c2nnc(CN(CCC(N)=O)[*:1])o2)c(C)o1
Cc1cccc(N(CCC(N)=O)Cc2nnc(-c3cc(C)oc3C)o2)c1 NC(=O)[*:1] Cc1cccc(c1)N(CC[*:1])Cc1nnc(o1)-c1cc(C)oc1C
Cc1cccc(N(CCC(N)=O)Cc2nnc(-c3cc(C)oc3C)o2)c1 NC(=O)C[*:1] Cc1cccc(c1)N(Cc1nnc(o1)-c1cc(C)oc1C)C[*:1]
Cc1cccc(N(CCC(N)=O)Cc2nnc(-c3cc(C)oc3C)o2)c1 NC(=O)CC[*:1] Cc1cccc(c1)N(Cc1nnc(o1)-c1cc(C)oc1C)[*:1]
Cc1cccc(N(CCC(N)=O)Cc2nnc(-c3cc(C)oc3C)o2)c1 Cc1cc(c(C)o1)[*:1] Cc1cccc(c1)N(CCC(N)=O)Cc1nnc(o1)[*:1]
COc1cccc([C@H](Cl)[C@H](C)c2ccccn2)c1OC c1ccc(nc1)[*:1] COc1cccc(c1OC)[C@H](Cl)[C@H](C)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 CCS(=O)(=O)C[*:1] CN(C[*:1])C(=O)c1cccc(c1)-c1noc(n1)C1CC1
CCS(=O)(=O)CCN(C)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 CCS(=O)(=O)[*:1] CN(CC[*:1])C(=O)c1cccc(c1)-c1noc(n1)C1CC1
CCS(=O)(=O)CCN(C)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 CCS(=O)(=O)CC[*:1] CN(C(=O)c1cccc(c1)-c1noc(n1)C1CC1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1[*:1] CCS(=O)(=O)CCN(C)C(=O)c1cccc(c1)-c1noc(n1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 C1CC1c1nc(no1)[*:1] CCS(=O)(=O)CCN(C)C(=O)c1cccc(c1)[*:1]
CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C CCO[*:1] Cc1cc(cc(C)c1[*:1])S(=O)(=O)Nc1ccc2OCC(C)(C)C(=O)N(C)c2c1
O=C(NCCc1ccsc1)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 c1cc(cs1)[*:1] O=C(NCC[*:1])c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1
O=C(NCCc1ccsc1)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 c1cc(cs1)C[*:1] O=C(NC[*:1])c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1
O=C(NCCc1ccsc1)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 Fc1ccc(cc1)[*:1] O=C(NCCc1ccsc1)c1cnn(c1C1CC[NH2+]CC1)[*:1]
O=C(NCCc1ccsc1)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 c1cc(cs1)CC[*:1] O=C(N[*:1])c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1
CC1=C2C(=N)N(c3ccccc3Cl)[C@@H](SCC(=O)NCc3ccco3)N=C2N=N1 c1coc(c1)C[*:1] CC1N=NC2=N[C@H](SCC(=O)N[*:1])N(C(=N)C=12)c1ccccc1Cl
CC1=C2C(=N)N(c3ccccc3Cl)[C@@H](SCC(=O)NCc3ccco3)N=C2N=N1 O=C(NCc1ccco1)[*:1] CC1N=NC2=N[C@H](SC[*:1])N(C(=N)C=12)c1ccccc1Cl
CC1=C2C(=N)N(c3ccccc3Cl)[C@@H](SCC(=O)NCc3ccco3)N=C2N=N1 Clc1ccccc1[*:1] CC1N=NC2=N[C@H](SCC(=O)NCc3ccco3)N(C(=N)C=12)[*:1]
CC1=C2C(=N)N(c3ccccc3Cl)[C@@H](SCC(=O)NCc3ccco3)N=C2N=N1 c1coc(c1)[*:1] CC1N=NC2=N[C@H](SCC(=O)NC[*:1])N(C(=N)C=12)c1ccccc1Cl
C[C@@H](CCN1CCOCC1)NC(=O)Cc1ccc(F)c(F)c1 C1CN(CCO1)[*:1] C[C@@H](CC[*:1])NC(=O)Cc1ccc(F)c(F)c1
C[C@@H](CCN1CCOCC1)NC(=O)Cc1ccc(F)c(F)c1 C1CN(CCO1)C[*:1] C[C@@H](C[*:1])NC(=O)Cc1ccc(F)c(F)c1
CCCCNC(=O)c1ncccc1C(=O)[O-] O=C([O-])[*:1] CCCCNC(=O)c1ncccc1[*:1]
CCCCNC(=O)c1ncccc1C(=O)[O-] CCC[*:1] O=C([O-])c1cccnc1C(=O)NC[*:1]
CCCCNC(=O)c1ncccc1C(=O)[O-] CCCC[*:1] O=C([O-])c1cccnc1C(=O)N[*:1]
COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 O=C(Nc1ccccc1)[*:1] COc1ccc(cc1)[C@@H]1C2C(=O)CCCC=2Nc2c(cnn21)[*:1]
COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C2C(=O)CCCC=2Nc2c(cnn21)C(=O)N[*:1]
COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 COc1ccc(cc1)[*:1] O=C1CCCC2Nc3c(cnn3[C@@H](C=21)[*:1])C(=O)Nc1ccccc1
CCCn1cc[nH+]c1C[C@@H](O)Cc1csc(C)n1 CCC[*:1] Cc1nc(cs1)C[C@H](O)Cc1[nH+]ccn1[*:1]
CCCn1cc[nH+]c1C[C@@H](O)Cc1csc(C)n1 Cc1nc(cs1)[*:1] CCCn1cc[nH+]c1C[C@@H](O)C[*:1]
Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] Cc1c(Cl)cccc1NC(=O)C(=O)NC[*:1]
Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ncn(C)n1 Cn1cnc(C[*:1])n1 Cc1c(Cl)cccc1NC(=O)C(=O)N[*:1]
COC(=O)NCCC(=O)Nc1cc(-c2ccncc2)nn1C c1cc(ccn1)[*:1] COC(=O)NCCC(=O)Nc1cc(nn1C)[*:1]
COC(=O)NCCC(=O)Nc1cc(-c2ccncc2)nn1C COC(=O)N[*:1] Cn1nc(cc1NC(=O)CC[*:1])-c1ccncc1
COC(=O)NCCC(=O)Nc1cc(-c2ccncc2)nn1C COC(=O)NCC[*:1] Cn1nc(cc1NC(=O)[*:1])-c1ccncc1
COC(=O)NCCC(=O)Nc1cc(-c2ccncc2)nn1C COC(=O)NC[*:1] Cn1nc(cc1NC(=O)C[*:1])-c1ccncc1
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCCCC3)[C@H]4C2=O)c1 COc1cccc(c1)C[*:1] O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2)N1CCCCCC1
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCCCC3)[C@H]4C2=O)c1 COc1cccc(c1)[*:1] O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@H]13)O2)N1CCCCCC1
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCCCCC3)[C@H]4C2=O)c1 O=C(N1CCCCCC1)[*:1] COc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@@H]([C@H]3C1=O)[*:1]
CN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] CN(C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1])c1ccc2ccccc2c1
CC(C)Oc1cccnc1C(=O)N[C@@H](C)c1nnc2ccccn12 CC(C)[*:1] C[C@H](NC(=O)c1ncccc1O[*:1])c1nnc2ccccn12
CC(C)Oc1cccnc1C(=O)N[C@@H](C)c1nnc2ccccn12 CC(C)O[*:1] C[C@H](NC(=O)c1ncccc1[*:1])c1nnc2ccccn12
N#Cc1cccc(/C=C2\S/C(=N/C3CCCC3)NC2=O)c1 C1CCC(C1)[*:1] N#Cc1cccc(/C=C2\SC(=N[*:1])NC2=O)c1
CC[NH+]1CCN(CC(=O)N[C@@H](c2cccs2)C(C)C)CC1 c1csc(c1)[*:1] CC[NH+]1CCN(CC1)CC(=O)N[C@@H](C(C)C)[*:1]
CC[NH+]1CCN(CC(=O)N[C@@H](c2cccs2)C(C)C)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)CC(=O)N[C@@H](c1cccs1)[*:1]
CC(C)N1C(=O)S/C(=C\c2ccc(N3CCCCC3)o2)C1=O CC(C)[*:1] O=C1S/C(=C\c2ccc(o2)N2CCCCC2)C(=O)N1[*:1]
CC(C)N1C(=O)S/C(=C\c2ccc(N3CCCCC3)o2)C1=O C1CCN(CC1)[*:1] CC(C)N1C(=O)S/C(=C\c2ccc(o2)[*:1])C1=O
O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cnn[nH]1 c1ccc(cc1)C[*:1] O=C(NCC(=O)N1CCC(CC1)[*:1])c1cnn[nH]1
O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cnn[nH]1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCC(CC1)C[*:1])c1cnn[nH]1
C[C@H]1CN(C(=O)COC[C@H]2CCOC2)c2cc(F)ccc2C(=O)N1 C1C[C@@H](CO1)CO[*:1] C[C@H]1CN(C(=O)C[*:1])c2cc(F)ccc2C(=O)N1
C[C@H]1CN(C(=O)COC[C@H]2CCOC2)c2cc(F)ccc2C(=O)N1 C1C[C@@H](CO1)[*:1] C[C@H]1CN(C(=O)COC[*:1])c2cc(F)ccc2C(=O)N1
C[C@H]1CN(C(=O)COC[C@H]2CCOC2)c2cc(F)ccc2C(=O)N1 C1C[C@@H](CO1)COC[*:1] C[C@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
C[C@H]1CN(C(=O)COC[C@H]2CCOC2)c2cc(F)ccc2C(=O)N1 C1C[C@@H](CO1)C[*:1] C[C@H]1CN(C(=O)CO[*:1])c2cc(F)ccc2C(=O)N1
COCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 COC[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1)[*:1]
COCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 Fc1cccc(c1)[*:1] COCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CCN(CC)C(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CCN(CC)C(=O)Cc1csc(n1)NC(=O)N[*:1]
CCN(CC)C(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 CCN(CC)C(=O)[*:1] O=C(Nc1cccc(Cl)c1)Nc1nc(cs1)C[*:1]
CCN(CC)C(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 CCN(CC)C(=O)C[*:1] O=C(Nc1cccc(Cl)c1)Nc1nc(cs1)[*:1]
CCOC(=O)C[N+]12CCC(CC1)[C@H](C(=O)c1cccs1)C2 CCOC(=O)C[*:1] O=C(c1cccs1)[C@@H]1C[N+]2(CCC1CC2)[*:1]
CCOC(=O)C[N+]12CCC(CC1)[C@H](C(=O)c1cccs1)C2 CCOC(=O)[*:1] O=C(c1cccs1)[C@@H]1C[N+]2(CCC1CC2)C[*:1]
CCOC(=O)C[N+]12CCC(CC1)[C@H](C(=O)c1cccs1)C2 O=C(c1cccs1)[*:1] CCOC(=O)C[N+]12CCC(CC1)[C@H](C2)[*:1]
CCOC(=O)C[N+]12CCC(CC1)[C@H](C(=O)c1cccs1)C2 c1csc(c1)[*:1] CCOC(=O)C[N+]12CCC(CC1)[C@@H](C2)C(=O)[*:1]
O=C(Nc1nccs1)C1CCN(C(=O)COc2ccc(F)cc2)CC1 O=C(Nc1nccs1)[*:1] O=C(COc1ccc(F)cc1)N1CCC(CC1)[*:1]
O=C(Nc1nccs1)C1CCN(C(=O)COc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1nccs1)C1CCN(CC1)C(=O)CO[*:1]
O=C(Nc1nccs1)C1CCN(C(=O)COc2ccc(F)cc2)CC1 Fc1ccc(cc1)O[*:1] O=C(Nc1nccs1)C1CCN(CC1)C(=O)C[*:1]
O=C(Nc1nccs1)C1CCN(C(=O)COc2ccc(F)cc2)CC1 c1csc(n1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)COc1ccc(F)cc1
COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)cc1 COc1ccc(cc1)[*:1] CC(C)CNC(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)cc1 CC(C)C[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)NC[*:1]
COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)cc1 CC(C)CNC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1]
COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)cc1 CC(C)CNC(=O)C[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)C1 CCC[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)C1 Cc1cc(C)cc(c1)[*:1] CCCC(=O)N1CCC[C@H](C1)C(=O)N1CC=C(CC1)[*:1]
CCOc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 CCO[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
Cn1ccc2c(NC(=O)N3CCN(C(=O)C(C)(C)C)CC3)cccc21 CC(C)(C)[*:1] Cn1ccc2c(cccc21)NC(=O)N1CCN(CC1)C(=O)[*:1]
CCCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)n2)c(O)c2ccccc21 CCC[*:1] Cc1cc(C)nc(c1)NC(=O)c1c(O)c2ccccc2n(CC[*:1])c1=O
CCCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)n2)c(O)c2ccccc21 CCCCC[*:1] Cc1cc(C)nc(c1)NC(=O)c1c(O)c2ccccc2n(c1=O)[*:1]
CCCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)n2)c(O)c2ccccc21 Cc1cc(C)nc(c1)[*:1] CCCCCn1c(=O)c(C(=O)N[*:1])c(O)c2ccccc21
CCCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)n2)c(O)c2ccccc21 CCCC[*:1] Cc1cc(C)nc(c1)NC(=O)c1c(O)c2ccccc2n(C[*:1])c1=O
Cc1ccccc1CN1CC[NH+](CC(=O)Nc2cccc3nonc23)CC1 Cc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])Nc1cccc2nonc12
Cc1ccccc1CN1CC[NH+](CC(=O)Nc2cccc3nonc23)CC1 Cc1ccccc1C[*:1] O=C(C[NH+]1CCN(CC1)[*:1])Nc1cccc2nonc12
Cc1ccccc1CN1CC[NH+](CC(=O)Nc2cccc3nonc23)CC1 c1cc(c2nonc2c1)[*:1] Cc1ccccc1CN1CC[NH+](CC1)CC(=O)N[*:1]
COc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(C)c(C)c2)n1 COc1ccccc1[*:1] Cc1ccc(cc1C)NC(=O)CSc1nc(n[nH]1)[*:1]
COc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(C)c(C)c2)n1 Cc1ccc(cc1C)[*:1] COc1ccccc1-c1n[nH]c(n1)SCC(=O)N[*:1]
O=C1NC[C@H](COc2c(F)cc(C(=O)[O-])cc2F)O1 O=C([O-])[*:1] O=C1NC[C@H](COc2c(F)cc(cc2F)[*:1])O1
O=C1NC[C@H](COc2c(F)cc(C(=O)[O-])cc2F)O1 O=C1NC[C@H](O1)[*:1] O=C([O-])c1cc(F)c(OC[*:1])c(F)c1
CNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)[C@H]1C[C@H]2CC[C@@H]1O2
O=C(NC1CC1)c1cccc(OC[C@H]2CCCN(C(=O)c3ccco3)C2)c1 c1coc(c1)[*:1] O=C(NC1CC1)c1cccc(c1)OC[C@H]1CCCN(C1)C(=O)[*:1]
O=C(NC1CC1)c1cccc(OC[C@H]2CCCN(C(=O)c3ccco3)C2)c1 O=C(NC1CC1)[*:1] O=C(c1ccco1)N1CCC[C@H](COc2cccc(c2)[*:1])C1
O=C(NC1CC1)c1cccc(OC[C@H]2CCCN(C(=O)c3ccco3)C2)c1 C1CC1[*:1] O=C(N[*:1])c1cccc(c1)OC[C@H]1CCCN(C1)C(=O)c1ccco1
O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Br)o1 Fc1ccccc1[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1ccc(Br)o1
O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(c1ccccc1F)N1CCC(CC1)CNC(=O)[*:1]
CO[C@H]1CCC[C@@H]1n1c(CCCl)nc2c(C)nn(C)c21 ClCC[*:1] CO[C@H]1CCC[C@@H]1n1c(nc2c(C)nn(C)c21)[*:1]
C[C@H](C(=O)Nc1nc2ccc(F)cn2n1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](C(=O)Nc1nc2ccc(F)cn2n1)[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1 CC(=O)[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)[C@H](C)Oc1cccc(c1)[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1 CC(=O)c1cccc(c1)[*:1] Cc1cc(=O)oc2cc(ccc12)OC(=O)[C@H](C)O[*:1]
Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CC1(O)CC[NH+](Cc2cccs2)CC1 FC(F)(F)[*:1] Cc1ccc2c(c1)c(=O)cc(n2CC1(O)CC[NH+](CC1)Cc1cccs1)[*:1]
Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CC1(O)CC[NH+](Cc2cccs2)CC1 c1csc(c1)C[*:1] Cc1ccc2c(c1)c(=O)cc(n2CC1(O)CC[NH+](CC1)[*:1])C(F)(F)F
Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CC1(O)CC[NH+](Cc2cccs2)CC1 c1csc(c1)[*:1] Cc1ccc2c(c1)c(=O)cc(n2CC1(O)CC[NH+](CC1)C[*:1])C(F)(F)F
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1C#N N#Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[*:1]
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1C#N Clc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Nc1ccccc1C#N
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1C#N CC(C)[*:1] N#Cc1ccccc1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)[*:1]
CC[NH+]1CCc2[nH]cnc2C12CCN(C(=O)c1cnn3ccccc13)CC2 c1ccn2ncc(c2c1)[*:1] CC[NH+]1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
C[C@@H]1OCC[C@H]1C(=O)N(C)CC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H]1OCC[C@H]1C(=O)N(C)CC(=O)N[*:1]
CC[NH+](Cc1cccc(Cl)c1)Cc1csc(CS(C)(=O)=O)n1 Clc1cccc(c1)[*:1] CC[NH+](Cc1csc(CS(C)(=O)=O)n1)C[*:1]
CC[NH+](Cc1cccc(Cl)c1)Cc1csc(CS(C)(=O)=O)n1 CS(=O)(=O)[*:1] CC[NH+](Cc1cccc(Cl)c1)Cc1csc(C[*:1])n1
CC[NH+](Cc1cccc(Cl)c1)Cc1csc(CS(C)(=O)=O)n1 CS(=O)(=O)C[*:1] CC[NH+](Cc1cccc(Cl)c1)Cc1csc(n1)[*:1]
Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)C3CCOCC3)C2)n1 Cc1ccccc1O[*:1] O=C(C1CCOCC1)N1CCC[C@@H](C1)c1cncc(n1)[*:1]
Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)C3CCOCC3)C2)n1 C1CC(CCO1)[*:1] Cc1ccccc1Oc1cncc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)C3CCOCC3)C2)n1 Cc1ccccc1[*:1] O=C(C1CCOCC1)N1CCC[C@@H](C1)c1cncc(n1)O[*:1]
CC(C)C[C@@H](CNC(=O)Nc1ccc(C(N)=O)cc1F)N1CCOCC1 NC(=O)[*:1] CC(C)C[C@@H](CNC(=O)Nc1ccc(cc1F)[*:1])N1CCOCC1
CC(C)C[C@@H](CNC(=O)Nc1ccc(C(N)=O)cc1F)N1CCOCC1 CC(C)[*:1] NC(=O)c1ccc(NC(=O)NC[C@H](C[*:1])N2CCOCC2)c(F)c1
CC(C)C[C@@H](CNC(=O)Nc1ccc(C(N)=O)cc1F)N1CCOCC1 CC(C)C[*:1] NC(=O)c1ccc(NC(=O)NC[C@@H](N2CCOCC2)[*:1])c(F)c1
CC(C)C[C@@H](CNC(=O)Nc1ccc(C(N)=O)cc1F)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@@H](CNC(=O)Nc1ccc(cc1F)C(N)=O)[*:1]
O=C([O-])COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 O=C([O-])CO[*:1] O=S(=O)(NC[C@@H]1CCCO1)c1ccc(cc1)[*:1]
O=C([O-])COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] O=C([O-])COc1ccc(cc1)S(=O)(=O)N[*:1]
O=C([O-])COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 O=C([O-])[*:1] O=S(=O)(NC[C@@H]1CCCO1)c1ccc(cc1)OC[*:1]
O=C([O-])COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 O=C([O-])C[*:1] O=S(=O)(NC[C@@H]1CCCO1)c1ccc(cc1)O[*:1]
O=C([O-])COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] O=C([O-])COc1ccc(cc1)S(=O)(=O)NC[*:1]
Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)c(F)cc2F)cc1Cl C1CCc2nnc(n2CC1)[*:1] Cc1ccc(cc1Cl)S(=O)(=O)[N-]c1cc(c(F)cc1F)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)c(F)cc2F)cc1Cl Cc1ccc(cc1Cl)[*:1] O=S(=O)([N-]c1cc(c(F)cc1F)-c1nnc2CCCCCn21)[*:1]
C[S@@](=O)c1ccc(CNC(=O)c2csc(S(N)(=O)=O)c2)cc1 C[S@@](=O)[*:1] NS(=O)(=O)c1cc(cs1)C(=O)NCc1ccc(cc1)[*:1]
C[S@@](=O)c1ccc(CNC(=O)c2csc(S(N)(=O)=O)c2)cc1 NS(=O)(=O)[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)c1csc(c1)[*:1]
Cc1cc(C)cc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)c1 C1CN(CCO1)[*:1] Cc1cc(C)cc(c1)N1C[C@H](CC1=O)C(=O)NCC[*:1]
Cc1cc(C)cc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)c1 C1CN(CCO1)CC[*:1] Cc1cc(C)cc(c1)N1C[C@H](CC1=O)C(=O)N[*:1]
Cc1cc(C)cc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)c1 C1CN(CCO1)C[*:1] Cc1cc(C)cc(c1)N1C[C@H](CC1=O)C(=O)NC[*:1]
Cc1cc(C)cc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCN1CCOCC1)[C@H]1CC(=O)N(C1)[*:1]
O=C(CNC(=O)c1cccc(F)c1)NN1Cc2ccccc2C1 Fc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])NN1Cc2ccccc2C1
CC[C@H](CSC)N(C)C(=O)c1cnn(Cc2ccccc2Cl)c1 CSC[*:1] CC[C@H](N(C)C(=O)c1cnn(c1)Cc1ccccc1Cl)[*:1]
CC[C@H](CSC)N(C)C(=O)c1cnn(Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] CC[C@H](CSC)N(C)C(=O)c1cnn(c1)C[*:1]
Cn1cnc([N+](=O)[O-])c1Sc1nnnn1C O=[N+]([O-])[*:1] Cn1cnc(c1Sc1nnnn1C)[*:1]
Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] Cn1cnc(c1N1CCN(CC1)C(=O)N[*:1])[N+](=O)[O-]
Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 O=[N+]([O-])[*:1] Cn1cnc(c1N1CCN(CC1)C(=O)Nc1cccc(Cl)c1)[*:1]
COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)S(=O)(=O)N[*:1] COC(=O)c1ccc(c(c1)[*:1])N1CCN(CC1)C(=O)c1ccccc1
COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 COC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1)[*:1]
COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(c(c1)NS(=O)(=O)[*:1])N1CCN(CC1)C(=O)c1ccccc1
COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 c1ccc(cc1)[*:1] COC(=O)c1ccc(c(c1)NS(=O)(=O)c1ccc(C)cc1)N1CCN(CC1)C(=O)[*:1]
COc1cc(/C=C(/C)C[NH2+]C2CC2)ccc1OC(C)C CC(C)O[*:1] COc1cc(/C=C(/C)C[NH2+]C2CC2)ccc1[*:1]
COc1cc(/C=C(/C)C[NH2+]C2CC2)ccc1OC(C)C CC(C)[*:1] COc1cc(/C=C(/C)C[NH2+]C2CC2)ccc1O[*:1]
COc1cc(/C=C(/C)C[NH2+]C2CC2)ccc1OC(C)C C1CC1[*:1] COc1cc(/C=C(/C)C[NH2+][*:1])ccc1OC(C)C
C[C@H](CCCO)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl OCC[*:1] C[C@H](C[*:1])NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl
C[C@H](CCCO)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl C[C@H](CCCO)[*:1] O=C([O-])c1cc(Cl)cc(c1Cl)S(=O)(=O)N[*:1]
C[C@H](CCCO)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl OCCC[*:1] C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl)[*:1]
C[C@H](CCCO)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl O=C([O-])[*:1] C[C@H](CCCO)NS(=O)(=O)c1cc(Cl)cc(c1Cl)[*:1]
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC2CCCCC2)C(=O)C[C@@H](C)S3)CC1 O=C(NC1CCCCC1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2S[C@H](C)CC(=O)N(C[*:1])c2c1
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC2CCCCC2)C(=O)C[C@@H](C)S3)CC1 CC1CCN(CC1)S(=O)(=O)[*:1] C[C@@H]1CC(=O)N(CC(=O)NC2CCCCC2)c2cc(ccc2S1)[*:1]
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC2CCCCC2)C(=O)C[C@@H](C)S3)CC1 C1CCC(CC1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2S[C@H](C)CC(=O)N(CC(=O)N[*:1])c2c1
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC2CCCCC2)C(=O)C[C@@H](C)S3)CC1 O=C(C[*:1])NC1CCCCC1 CC1CCN(CC1)S(=O)(=O)c1ccc2S[C@H](C)CC(=O)N(c2c1)[*:1]
CC[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] CC[C@H]1CCCCN1C(=O)c1cccc(c1)NC(=O)[*:1]
CC[C@H]1CCCCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 CC[C@H]1CCCCN1C(=O)c1cccc(c1)[*:1]
COCC(=O)Nc1ccc(Br)nc1C COC[*:1] Cc1nc(Br)ccc1NC(=O)[*:1]
CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H]2CCCc3occc32)c1 CC(C)(C)OC(=O)N[*:1] O=C(Cc1cccc(c1)[*:1])N[C@@H]1CCCc2occc21
CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H]2CCCc3occc32)c1 CC(C)(C)[*:1] O=C(Cc1cccc(c1)NC(=O)O[*:1])N[C@@H]1CCCc2occc21
Nc1ccc2c(N[C@H]3CCO[C@H]3c3ccc(Cl)cc3)ncnc2n1 Clc1ccc(cc1)[*:1] Nc1ccc2c(ncnc2n1)N[C@H]1CCO[C@@H]1[*:1]
Cc1cc(COc2ccccc2)oc1C(=O)N1CCOC[C@H](O)C1 c1ccc(cc1)[*:1] Cc1cc(CO[*:1])oc1C(=O)N1CCOC[C@H](O)C1
Cc1cc(COc2ccccc2)oc1C(=O)N1CCOC[C@H](O)C1 c1ccc(cc1)OC[*:1] Cc1cc(oc1C(=O)N1CCOC[C@H](O)C1)[*:1]
Cc1cc(COc2ccccc2)oc1C(=O)N1CCOC[C@H](O)C1 c1ccc(cc1)O[*:1] Cc1cc(C[*:1])oc1C(=O)N1CCOC[C@H](O)C1
CCOCCC(=O)N[C@H](C(=O)N1CCOCC1)C(C)C CCO[*:1] CC(C)[C@H](NC(=O)CC[*:1])C(=O)N1CCOCC1
CCOCCC(=O)N[C@H](C(=O)N1CCOCC1)C(C)C CC(C)[*:1] CCOCCC(=O)N[C@H](C(=O)N1CCOCC1)[*:1]
CCOCCC(=O)N[C@H](C(=O)N1CCOCC1)C(C)C CCOC[*:1] CC(C)[C@H](NC(=O)C[*:1])C(=O)N1CCOCC1
CCOCCC(=O)N[C@H](C(=O)N1CCOCC1)C(C)C CCOCC[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCOCC1
Cc1ccoc1[C@@H](C)[NH2+][C@H](CO)c1cnn(C)c1 Cc1ccoc1[*:1] C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)[*:1]
Cc1ccoc1[C@@H](C)[NH2+][C@H](CO)c1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1ccoc1[C@@H](C)[NH2+][C@H](CO)[*:1]
CC(C)[C@H](C(N)=O)n1cnc2sc3c(c2c1=O)CCC3 CC(C)[*:1] NC(=O)[C@H](n1cnc2sc3CCCc3c2c1=O)[*:1]
CC(C)[C@H](C(N)=O)n1cnc2sc3c(c2c1=O)CCC3 NC(=O)[*:1] CC(C)[C@H](n1cnc2sc3CCCc3c2c1=O)[*:1]
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3nnc(C)o3)s2)c1 Cc1nnc(o1)[*:1] Cc1cc(C)cc(c1)[N-]S(=O)(=O)c1ccc(s1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)[C@H](NC(N)=O)C(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 NC(=O)N[*:1] CC(C)[C@H](C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 CC(C)[*:1] NC(=O)N[C@H](C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1)[*:1]
CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1 CC(C)[*:1] O=S(=O)([N-]c1cccnc1Cl)c1ccc(cc1)OCC[*:1]
CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1 CC(C)CC[*:1] O=S(=O)([N-]c1cccnc1Cl)c1ccc(cc1)O[*:1]
CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1 CC(C)CCO[*:1] O=S(=O)([N-]c1cccnc1Cl)c1ccc(cc1)[*:1]
CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1 CC(C)C[*:1] O=S(=O)([N-]c1cccnc1Cl)c1ccc(cc1)OC[*:1]
COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(C)cc4)C3)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)N1CCC[C@H](C1)c1nc(no1)[*:1]
COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(C)cc4)C3)n2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)N[*:1]
CN(CCOCC1CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)[O-] C1CC1COC[*:1] CN(C[*:1])C(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)[O-] C1CC1[*:1] CN(CCOC[*:1])C(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)[O-] C1CC1CO[*:1] CN(CC[*:1])C(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)[O-] O=C([O-])[*:1] CN(CCOCC1CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2[*:1]
CN(CCOCC1CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)[O-] C1CC1C[*:1] CN(CCO[*:1])C(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)[O-] C(C[*:1])OCC1CC1 CN(C(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)[O-])[*:1]
CC(C)(CNC(=O)Cc1ccc2c(c1)CCCC2)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)Cc1ccc2CCCCc2c1)[*:1]
Cc1cc(C(=O)N2CCCC(C)(C)c3ccccc32)on1 Cc1cc(on1)[*:1] CC1(C)CCCN(C(=O)[*:1])c2ccccc21
CN(Cc1ncc[nH]1)C(=O)c1cccc2nccnc12 c1c[nH]c(n1)[*:1] CN(C[*:1])C(=O)c1cccc2nccnc12
CN(Cc1ncc[nH]1)C(=O)c1cccc2nccnc12 c1c[nH]c(C[*:1])n1 CN(C(=O)c1cccc2nccnc12)[*:1]
O=C(Cn1cnc2ccccc21)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Cn1cnc2ccccc21)N1CC[C@H](C1)[*:1]
C[C@@H]1CCCN(C(=O)C2CCN(Cn3nc(Nc4ccccc4F)sc3=S)CC2)C1 Fc1ccccc1N[*:1] C[C@@H]1CCCN(C1)C(=O)C1CCN(CC1)Cn1nc(sc1=S)[*:1]
C[C@@H]1CCCN(C(=O)C2CCN(Cn3nc(Nc4ccccc4F)sc3=S)CC2)C1 C[C@@H]1CCCN(C1)C(=O)[*:1] Fc1ccccc1Nc1nn(CN2CCC(CC2)[*:1])c(=S)s1
C[C@@H]1CCCN(C(=O)C2CCN(Cn3nc(Nc4ccccc4F)sc3=S)CC2)C1 Fc1ccccc1[*:1] C[C@@H]1CCCN(C1)C(=O)C1CCN(CC1)Cn1nc(N[*:1])sc1=S
CCc1noc(CC)c1CC(=O)Oc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCc1noc(CC)c1CC(=O)Oc1ccc(cc1)[*:1]
O=c1[nH]c(CCCCCl)nc2ccc(Cl)cc12 ClCC[*:1] O=c1[nH]c(CC[*:1])nc2ccc(Cl)cc12
O=c1[nH]c(CCCCCl)nc2ccc(Cl)cc12 ClCCC[*:1] O=c1[nH]c(C[*:1])nc2ccc(Cl)cc12
O=c1[nH]c(CCCCCl)nc2ccc(Cl)cc12 ClCCCC[*:1] O=c1[nH]c(nc2ccc(Cl)cc12)[*:1]
COCCN(Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 c1ccc(cc1)C[*:1] COCCN(C(=O)Nc1cnn(c1)-c1ncccn1)[*:1]
COCCN(Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 COC[*:1] O=C(Nc1cnn(c1)-c1ncccn1)N(Cc1ccccc1)C[*:1]
COCCN(Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 c1cnc(nc1)[*:1] COCCN(Cc1ccccc1)C(=O)Nc1cnn(c1)[*:1]
COCCN(Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 COCC[*:1] O=C(Nc1cnn(c1)-c1ncccn1)N(Cc1ccccc1)[*:1]
COCCN(Cc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 c1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)Nc1cnn(c1)-c1ncccn1
CN(C)C(=O)[C@@H]1CC[C@@H](C/[NH+]=C(\N)NC2CCCCC2)O1 C1CCC(CC1)[*:1] CN(C)C(=O)[C@@H]1CC[C@@H](C/[NH+]=C(\N)N[*:1])O1
CN(C)C(=O)[C@@H]1CC[C@@H](C/[NH+]=C(\N)NC2CCCCC2)O1 CN(C)C(=O)[*:1] N/C(NC1CCCCC1)=[NH+]\C[C@@H]1CC[C@H](O1)[*:1]
C[C@H]1CCC(F)(F)[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H]1CCC(F)(F)[C@H]1[*:1]
COc1cccc(CCC(=O)N2CCC[C@H]2c2ccc[nH]2)c1 c1c[nH]c(c1)[*:1] COc1cccc(c1)CCC(=O)N1CCC[C@@H]1[*:1]
C[NH2+][C@]1(C(N)=O)CC[C@H](Sc2cc(C)nn2C)C1 NC(=O)[*:1] C[NH2+][C@@]1(CC[C@@H](C1)Sc1cc(C)nn1C)[*:1]
COc1ccc([N+](=O)[O-])cc1O[C@@H](C)c1nc(-c2ccccc2C)no1 O=[N+]([O-])[*:1] COc1ccc(cc1O[C@@H](C)c1nc(no1)-c1ccccc1C)[*:1]
COc1ccc([N+](=O)[O-])cc1O[C@@H](C)c1nc(-c2ccccc2C)no1 Cc1ccccc1[*:1] COc1ccc(cc1O[C@@H](C)c1nc(no1)[*:1])[N+](=O)[O-]
COC[C@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 COC[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N(C)[C@@H](C)[*:1]
COC[C@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 COC[C@H](C)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N(C)[*:1]
CC(C)c1nc(CNc2ccc(F)cc2Cl)no1 CC(C)[*:1] Fc1ccc(NCc2noc(n2)[*:1])c(Cl)c1
CCN(C(=O)COc1ccccc1F)c1cccnc1 c1cncc(c1)[*:1] CCN(C(=O)COc1ccccc1F)[*:1]
O=C1N(CCOc2ccccc2Cl)c2ccc(Br)cc2C12OCCO2 Clc1ccccc1O[*:1] O=C1N(CC[*:1])c2ccc(Br)cc2C12OCCO2
O=C1N(CCOc2ccccc2Cl)c2ccc(Br)cc2C12OCCO2 Clc1ccccc1[*:1] O=C1N(CCO[*:1])c2ccc(Br)cc2C12OCCO2
Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 Cc1ccc(cc1)C[*:1] CC(C)C[C@H](NC(=O)N[*:1])C(=O)N1CC[C@@H](C)[C@H](O)C1
Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@H](NC(=O)NC[*:1])C(=O)N1CC[C@@H](C)[C@H](O)C1
Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 CC(C)[*:1] Cc1ccc(cc1)CNC(=O)N[C@@H](C[*:1])C(=O)N1CC[C@@H](C)[C@H](O)C1
Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 CC(C)C[*:1] Cc1ccc(cc1)CNC(=O)N[C@@H](C(=O)N1CC[C@@H](C)[C@H](O)C1)[*:1]
Cc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1 c1cc2OCCOc2cc1[*:1] Cc1ccccc1-c1cc(C(=O)N[*:1])c2ccccc2n1
Cc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1 Cc1ccccc1[*:1] O=C(Nc1ccc2OCCOc2c1)c1cc(nc2ccccc12)[*:1]
C[C@H](CCO)Sc1nc2ccccc2cc1C[NH3+] OCC[*:1] C[C@H](Sc1nc2ccccc2cc1C[NH3+])[*:1]
C[C@H](CCO)Sc1nc2ccccc2cc1C[NH3+] C[C@H](CCO)[*:1] [NH3+]Cc1cc2ccccc2nc1S[*:1]
C[C@H](CCO)Sc1nc2ccccc2cc1C[NH3+] C[C@H](CCO)S[*:1] [NH3+]Cc1cc2ccccc2nc1[*:1]
CCn1cc(S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O)cn1 CS(=O)(=O)C[*:1] CCn1cc(cn1)S(=O)(=O)N(C)[C@H](C)[*:1]
CCn1cc(S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O)cn1 CS(=O)(=O)[*:1] CCn1cc(cn1)S(=O)(=O)N(C)[C@H](C)C[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@H](c1nc(C)cs1)C1CC1 C1CC1[*:1] CC[C@@H](CSC)N(C)C(=O)N[C@H](c1nc(C)cs1)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@H](c1nc(C)cs1)C1CC1 Cc1csc(n1)[*:1] CC[C@@H](CSC)N(C)C(=O)N[C@H](C1CC1)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@H](c1nc(C)cs1)C1CC1 CC[C@@H](CSC)[*:1] Cc1csc(n1)[C@@H](NC(=O)N(C)[*:1])C1CC1
CC[C@@H](CSC)N(C)C(=O)N[C@H](c1nc(C)cs1)C1CC1 CSC[*:1] CC[C@@H](N(C)C(=O)N[C@H](c1nc(C)cs1)C1CC1)[*:1]
C[C@H](NC(=O)N1CCC2(CC1)OCCO2)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)N1CCC2(CC1)OCCO2)c1ccc(cc1)O[*:1]
C[C@H](NC(=O)N1CCC2(CC1)OCCO2)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@H](NC(=O)N1CCC2(CC1)OCCO2)c1ccc(cc1)[*:1]
CCC(CC)n1nccc1C(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 COC(=O)[*:1] CCC(CC)n1nccc1C(=O)N1CC[C@@H](c2ccccc21)[*:1]
CCC(CC)n1nccc1C(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 CCC(CC)[*:1] COC(=O)[C@@H]1CCN(C(=O)c2ccnn2[*:1])c2ccccc21
CCN(C(=O)[C@H](C)OC)[C@H](c1ccc(Cl)cc1)c1ccccn1 c1ccc(nc1)[*:1] CCN(C(=O)[C@H](C)OC)[C@H](c1ccc(Cl)cc1)[*:1]
CCN(C(=O)[C@H](C)OC)[C@H](c1ccc(Cl)cc1)c1ccccn1 CO[C@@H](C)[*:1] CCN(C(=O)[*:1])[C@H](c1ccc(Cl)cc1)c1ccccn1
CCN(C(=O)[C@H](C)OC)[C@H](c1ccc(Cl)cc1)c1ccccn1 Clc1ccc(cc1)[*:1] CCN(C(=O)[C@H](C)OC)[C@H](c1ccccn1)[*:1]
CCCc1ccc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cc1 CCC[*:1] O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(cc1)[*:1]
O=C(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)N[C@@H]1CCS(=O)(=O)C1 Fc1ccc(cc1)[*:1] O=C(NCC(=O)N1CCN(CC1)[*:1])N[C@@H]1CCS(=O)(=O)C1
O=C(NCCC1CCCCC1)C(=O)Nc1ccc2ncccc2c1 C1CCC(CC1)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc2ncccc2c1
O=C(NCCC1CCCCC1)C(=O)Nc1ccc2ncccc2c1 C1CCC(CC1)C[*:1] O=C(NC[*:1])C(=O)Nc1ccc2ncccc2c1
O=C(NCCC1CCCCC1)C(=O)Nc1ccc2ncccc2c1 C1CCC(CC1)CC[*:1] O=C(Nc1ccc2ncccc2c1)C(=O)N[*:1]
COc1ccccc1[C@H](Nc1nccnc1C#N)c1ccccn1 COc1ccccc1[*:1] N#Cc1nccnc1N[C@H](c1ccccn1)[*:1]
COc1ccccc1[C@H](Nc1nccnc1C#N)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](Nc1nccnc1C#N)[*:1]
COc1ccccc1[C@H](Nc1nccnc1C#N)c1ccccn1 N#Cc1nccnc1[*:1] COc1ccccc1[C@H](N[*:1])c1ccccn1
O=C(c1coc(C[NH+]2CCN(Cc3ccccc3)CC2)n1)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(c1coc(C[NH+]2CCN(CC2)C[*:1])n1)N1CCCCCC1
O=C(c1coc(C[NH+]2CCN(Cc3ccccc3)CC2)n1)N1CCCCCC1 c1ccc(cc1)C[*:1] O=C(c1coc(C[NH+]2CCN(CC2)[*:1])n1)N1CCCCCC1
O=C(c1coc(C[NH+]2CCN(Cc3ccccc3)CC2)n1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] c1ccc(cc1)CN1CC[NH+](CC1)Cc1nc(co1)[*:1]
CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccnn1C1CCCCC1)C2=O C1CCC(CC1)[*:1] CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccnn1[*:1])C2=O
CN(CC#N)C[C@@H](O)COc1ccc2ccccc2c1 N#CC[*:1] CN(C[C@@H](O)COc1ccc2ccccc2c1)[*:1]
CN(CC#N)C[C@@H](O)COc1ccc2ccccc2c1 CN(CC#N)[*:1] O[C@@H](COc1ccc2ccccc2c1)C[*:1]
CN(CC#N)C[C@@H](O)COc1ccc2ccccc2c1 CN(CC#N)C[*:1] O[C@@H](COc1ccc2ccccc2c1)[*:1]
O=C(c1ccccc1I)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] O=C(c1ccccc1I)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccccc1I)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 Ic1ccccc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1)[*:1]
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(N)=O)cc1 COC(=O)[*:1] CC1NC(=O)N[C@H](C=1[*:1])c1ccc(cc1)OCC(N)=O
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(N)=O)cc1 NC(=O)CO[*:1] COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(cc1)[*:1]
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(N)=O)cc1 NC(=O)C[*:1] COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(cc1)O[*:1]
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(N)=O)cc1 NC(=O)[*:1] COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(cc1)OC[*:1]
O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc3c(c2)COC3)s1 c1cc2COCc2cc1[*:1] O=C(Nc1ccccc1)Nc1ccc(s1)C(=O)N[*:1]
O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc3c(c2)COC3)s1 c1ccc(cc1)[*:1] O=C(Nc1ccc(s1)C(=O)Nc1ccc2COCc2c1)N[*:1]
O=C(C[NH+]1CCc2sccc2C1)Nc1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] O=C(C[NH+]1CCc2sccc2C1)Nc1ccc(c(F)c1)[*:1]
CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 CCO[*:1] Cc1cc(Cl)ccc1NC(=O)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 Cc1cc(Cl)ccc1[*:1] CCOc1ccc(cc1)[C@H](C)NC(=O)C(=O)N[*:1]
O=C(N[C@@H](N1CC[NH+](Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O c1ccc(cc1)[*:1] O=C(N[C@@H](N1CC[NH+](CC1)C[*:1])C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O
O=C(N[C@@H](N1CC[NH+](Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O c1ccc(cc1)C[*:1] O=C(N[C@@H](N1CC[NH+](CC1)[*:1])C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O
O=C(N[C@@H](N1CC[NH+](Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O ClC(Cl)(Cl)[*:1] O=C(N[C@@H](N1CC[NH+](CC1)Cc1ccccc1)[*:1])c1cc2ccccc2oc1=O
CC(C)c1[nH+]n(C)c(N(C)C)c1CNC[C@@H](O)c1ccccc1F CN(C)[*:1] CC(C)c1[nH+]n(C)c(c1CNC[C@@H](O)c1ccccc1F)[*:1]
CC(C)c1[nH+]n(C)c(N(C)C)c1CNC[C@@H](O)c1ccccc1F Fc1ccccc1[*:1] CC(C)c1[nH+]n(C)c(c1CNC[C@@H](O)[*:1])N(C)C
CC(C)c1[nH+]n(C)c(N(C)C)c1CNC[C@@H](O)c1ccccc1F CC(C)[*:1] CN(C)c1c(CNC[C@@H](O)c2ccccc2F)c([nH+]n1C)[*:1]
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC=CCC1 O=[N+]([O-])[*:1] Cc1cc(ccc1S(=O)(=O)N[C@@H]1CC=CCC1)[*:1]
Cc1ccccc1N1CCCN(Cc2nc(-c3ccc(F)cc3)oc2C)CC1 Cc1ccccc1[*:1] Cc1oc(nc1CN1CCCN(CC1)[*:1])-c1ccc(F)cc1
Cc1ccccc1N1CCCN(Cc2nc(-c3ccc(F)cc3)oc2C)CC1 Fc1ccc(cc1)[*:1] Cc1ccccc1N1CCCN(CC1)Cc1nc(oc1C)[*:1]
Cc1ccc(OC[C@@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 C1CCC(CC1)N[*:1] Cc1ccc(cc1)OC[C@@H](O)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
Cc1ccc(OC[C@@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(NC3CCCCC3)n2C[C@H](O)CO[*:1])n(C)c1=O
Cc1ccc(OC[C@@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)O[*:1] Cn1c(=O)c2c(nc(NC3CCCCC3)n2C[C@H](O)C[*:1])n(C)c1=O
Cc1ccc(OC[C@@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)OC[*:1] Cn1c(=O)c2c(nc(NC3CCCCC3)n2C[C@H](O)[*:1])n(C)c1=O
Cc1ccc(OC[C@@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)OC[C@@H](O)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N[*:1]
O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1csc2c1CCCC2 C1CCC(CC1)[*:1] O=C(NCCCN1CC[NH+](CC1)[*:1])c1csc2CCCCc12
O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1csc2c1CCCC2 c1sc2CCCCc2c1[*:1] O=C(NCCCN1CC[NH+](CC1)C1CCCCC1)[*:1]
CCc1nn(Cc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)c(=O)c(C#N)c1CC Cc1ccc(cc1)[*:1] CCc1nn(Cc2nc3sc(C)c(c3c(=O)[nH]2)[*:1])c(=O)c(C#N)c1CC
Cc1cccc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)c1 Cc1cccc(c1)[*:1] C[C@H](c1nc2ccccc2s1)N1CCN(CC1)C(=O)[*:1]
Cc1nn(CC(=O)N(C)CCc2ccccn2)c(=O)c2cc3sccc3n12 c1ccc(CC[*:1])nc1 Cc1nn(CC(=O)N(C)[*:1])c(=O)c2cc3sccc3n12
Cc1nn(CC(=O)N(C)CCc2ccccn2)c(=O)c2cc3sccc3n12 c1ccc(nc1)[*:1] Cc1nn(CC(=O)N(C)CC[*:1])c(=O)c2cc3sccc3n12
Cc1nn(CC(=O)N(C)CCc2ccccn2)c(=O)c2cc3sccc3n12 c1ccc(C[*:1])nc1 Cc1nn(CC(=O)N(C)C[*:1])c(=O)c2cc3sccc3n12
O=C(N[C@@H](CO)c1ccco1)c1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(N[C@@H](CO)c1ccco1)c1ccc(F)c(c1)[*:1]
O=C(N[C@@H](CO)c1ccco1)c1ccc(F)c(C(F)(F)F)c1 c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1ccc(F)c(c1)C(F)(F)F
O=C(COc1ccc2cc(Br)ccc2c1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COc1ccc2cc(Br)ccc2c1)NC[*:1]
O=C(COc1ccc2cc(Br)ccc2c1)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(COc1ccc2cc(Br)ccc2c1)N[*:1]
CCc1noc([C@H]2CCCN(C(=O)c3snnc3C)C2)n1 Cc1nnsc1[*:1] CCc1noc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
CCc1noc([C@H]2CCCN(C(=O)c3snnc3C)C2)n1 CCc1noc(n1)[*:1] Cc1nnsc1C(=O)N1CCC[C@@H](C1)[*:1]
CCOCCn1nnc(-c2cccc(C(F)(F)F)c2)n1 CCO[*:1] FC(F)(F)c1cccc(c1)-c1nnn(CC[*:1])n1
CCOCCn1nnc(-c2cccc(C(F)(F)F)c2)n1 CCOC[*:1] FC(F)(F)c1cccc(c1)-c1nnn(C[*:1])n1
CCOCCn1nnc(-c2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] CCOCCn1nnc(n1)-c1cccc(c1)[*:1]
CCOCCn1nnc(-c2cccc(C(F)(F)F)c2)n1 CCOCC[*:1] FC(F)(F)c1cccc(c1)-c1nnn(n1)[*:1]
Cc1nnc2sc(-c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)nn12 O=[N+]([O-])[*:1] Cc1nnc2sc(nn12)-c1ccc(o1)-c1ccc(cc1Cl)[*:1]
COCCCCC(=O)Nc1cccc(N(C)C(C)=O)c1 COC[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)CCC[*:1]
COCCCCC(=O)Nc1cccc(N(C)C(C)=O)c1 CC(=O)N(C)[*:1] COCCCCC(=O)Nc1cccc(c1)[*:1]
COCCCCC(=O)Nc1cccc(N(C)C(C)=O)c1 COCCC[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)C[*:1]
COCCCCC(=O)Nc1cccc(N(C)C(C)=O)c1 COCCCC[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)[*:1]
COCCCCC(=O)Nc1cccc(N(C)C(C)=O)c1 COCC[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)CC[*:1]
COCc1cc(C(=O)N(c2ccc(C#N)cc2)C2CC2)ccc1F C1CC1[*:1] COCc1cc(ccc1F)C(=O)N(c1ccc(C#N)cc1)[*:1]
COCc1cc(C(=O)N(c2ccc(C#N)cc2)C2CC2)ccc1F COC[*:1] N#Cc1ccc(cc1)N(C(=O)c1ccc(F)c(c1)[*:1])C1CC1
COCc1cc(C(=O)N(c2ccc(C#N)cc2)C2CC2)ccc1F N#Cc1ccc(cc1)[*:1] COCc1cc(ccc1F)C(=O)N(C1CC1)[*:1]
CC(=O)N1CCNC[C@@H]1c1cccc(C(N)=O)c1 NC(=O)[*:1] CC(=O)N1CCNC[C@@H]1c1cccc(c1)[*:1]
C[C@@H]([NH3+])[C@H](N(C)C1CCC(C)(C)CC1)C(F)(F)F FC(F)(F)[*:1] C[C@@H]([NH3+])[C@H](N(C)C1CCC(C)(C)CC1)[*:1]
Cc1ccc(N2CCCN(c3ccc4nnc(C)n4n3)CC2)nn1 Cc1ccc(nn1)[*:1] Cc1nnc2ccc(nn12)N1CCCN(CC1)[*:1]
CC[C@@H]1CC(=O)N(Cc2ccc(C#CCO)cc2F)C1 OCC#C[*:1] CC[C@@H]1CC(=O)N(Cc2ccc(cc2F)[*:1])C1
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N[C@@H]1CCCNC1=O O=C1NCCC[C@H]1[*:1] O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N[*:1]
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N[C@@H]1CCCNC1=O C1CC1[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])N[C@@H]1CCCNC1=O
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N[C@@H]1CCCNC1=O Clc1ccc(cc1)[*:1] O=C(N[C@H](C1CC1)[*:1])N[C@@H]1CCCNC1=O
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)[C@@H]1CCCO1 CC(C)[*:1] C[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])[*:1])[C@@H]1CCCO1
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])C(=O)N[C@H](C)[*:1]
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)[C@@H]1CCCO1 O=[N+]([O-])[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1Cl)[*:1])C(=O)N[C@H](C)[C@@H]1CCCO1
NC(=O)CCNC(=O)NCCc1cccs1 NC(=O)[*:1] O=C(NCCc1cccs1)NCC[*:1]
NC(=O)CCNC(=O)NCCc1cccs1 c1csc(c1)[*:1] NC(=O)CCNC(=O)NCC[*:1]
NC(=O)CCNC(=O)NCCc1cccs1 NC(=O)CC[*:1] O=C(NCCc1cccs1)N[*:1]
NC(=O)CCNC(=O)NCCc1cccs1 NC(=O)C[*:1] O=C(NCCc1cccs1)NC[*:1]
COCCOC1CCN(C(=O)N[C@H]2CCC[C@@H](C3CC3)C2)CC1 COC[*:1] O=C(N[C@H]1CCC[C@H](C1)C1CC1)N1CCC(CC1)OC[*:1]
COCCOC1CCN(C(=O)N[C@H]2CCC[C@@H](C3CC3)C2)CC1 C1CC1[*:1] COCCOC1CCN(CC1)C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
COCCOC1CCN(C(=O)N[C@H]2CCC[C@@H](C3CC3)C2)CC1 COCCO[*:1] O=C(N[C@H]1CCC[C@H](C1)C1CC1)N1CCC(CC1)[*:1]
COCCOC1CCN(C(=O)N[C@H]2CCC[C@@H](C3CC3)C2)CC1 COCC[*:1] O=C(N[C@H]1CCC[C@H](C1)C1CC1)N1CCC(CC1)O[*:1]
COC(=O)[C@H](CCl)NC(=O)OCc1ccccc1 COC(=O)[*:1] O=C(N[C@@H](CCl)[*:1])OCc1ccccc1
COC(=O)[C@H](CCl)NC(=O)OCc1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](CCl)NC(=O)OC[*:1]
CN(C)C(=O)CNC(=O)c1cc2occc2n1C CN(C)C(=O)C[*:1] Cn1c(cc2occc21)C(=O)N[*:1]
CN(C)C(=O)CNC(=O)c1cc2occc2n1C CN(C)C(=O)[*:1] Cn1c(cc2occc21)C(=O)NC[*:1]
Cc1cccc([C@H]2CCCCCN2C(=O)c2cnc([C@@H]3CCCO3)s2)c1 Cc1cccc(c1)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCCCC[C@@H]1[*:1]
Cc1ccn2/c(=N/C(=O)[C@H](C)OCc3ccccc3)[nH]nc2c1 c1ccc(cc1)C[*:1] Cc1ccn2/c(=N/C(=O)[C@H](C)O[*:1])[nH]nc2c1
Cc1ccn2/c(=N/C(=O)[C@H](C)OCc3ccccc3)[nH]nc2c1 c1ccc(cc1)[*:1] Cc1ccn2/c(=N/C(=O)[C@H](C)OC[*:1])[nH]nc2c1
O=C(CNC(=O)c1cccc(Br)n1)Nc1ccc(F)cc1 Brc1cccc(n1)[*:1] O=C(CNC(=O)[*:1])Nc1ccc(F)cc1
O=C(CNC(=O)c1cccc(Br)n1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNC(=O)c1cccc(Br)n1)N[*:1]
O=C(C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1N1CCCC1=O c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)C(c1ccccc1)[*:1])Nc1ccccc1N1CCCC1=O
O=C(C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(C[NH+]1CCN(CC1)C(c1ccccc1)c1ccccc1)Nc1ccccc1[*:1]
O=C(Nc1ccncc1)N[C@H](CCO)C1CCCCC1 c1cc(ccn1)[*:1] O=C(N[C@H](CCO)C1CCCCC1)N[*:1]
O=C(Nc1ccncc1)N[C@H](CCO)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccncc1)N[C@H](CCO)[*:1]
O=C(Nc1ccncc1)N[C@H](CCO)C1CCCCC1 OCC[*:1] O=C(Nc1ccncc1)N[C@H](C1CCCCC1)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1csc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@@H](CC#N)N(C)C(=O)c1csc(n1)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1csc(Cc2ccccc2)n1 N#CC[*:1] C[C@@H](N(C)C(=O)c1csc(Cc2ccccc2)n1)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1csc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](CC#N)N(C)C(=O)c1csc(C[*:1])n1
NC1=[NH+]CC2(CCS(=O)(=O)CC2)N1CC1CC1 C1CC1C[*:1] NC1=[NH+]CC2(CCS(=O)(=O)CC2)N1[*:1]
NC1=[NH+]CC2(CCS(=O)(=O)CC2)N1CC1CC1 C1CC1[*:1] NC1=[NH+]CC2(CCS(=O)(=O)CC2)N1C[*:1]
Cc1ccc(F)c(N2CCC[C@@H](NC(=O)CCOC3CCOCC3)C2)c1 Cc1ccc(F)c(c1)[*:1] O=C(CCOC1CCOCC1)N[C@@H]1CCCN(C1)[*:1]
Cc1ccc(F)c(N2CCC[C@@H](NC(=O)CCOC3CCOCC3)C2)c1 C1CC(CCO1)O[*:1] Cc1ccc(F)c(c1)N1CCC[C@H](C1)NC(=O)CC[*:1]
Cc1ccc(F)c(N2CCC[C@@H](NC(=O)CCOC3CCOCC3)C2)c1 C1CC(CCO1)OC[*:1] Cc1ccc(F)c(c1)N1CCC[C@H](C1)NC(=O)C[*:1]
Cc1ccc(F)c(N2CCC[C@@H](NC(=O)CCOC3CCOCC3)C2)c1 C1CC(CCO1)[*:1] Cc1ccc(F)c(c1)N1CCC[C@H](C1)NC(=O)CCO[*:1]
C[C@@H](NC(=O)CSc1ccc(N)cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1ccc(N)cc1Cl)[*:1]
CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@H](c2ccc(C(=O)[O-])cc2)S1 O=C([O-])c1ccc(cc1)[*:1] CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@H](S1)[*:1]
CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@H](c2ccc(C(=O)[O-])cc2)S1 Fc1ccc(cc1)[*:1] CC1=Nc2c(c(C)nn2[*:1])[C@@H](S1)c1ccc(cc1)C(=O)[O-]
CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@H](c2ccc(C(=O)[O-])cc2)S1 O=C([O-])[*:1] CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@@H](S1)c1ccc(cc1)[*:1]
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN[C@@H](C(N)=O)c1ccc(F)cc1 Cc1cc(Cl)cc(C)c1[*:1] C[C@@H](O[*:1])C(=O)NN[C@@H](C(N)=O)c1ccc(F)cc1
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN[C@@H](C(N)=O)c1ccc(F)cc1 NC(=O)[*:1] Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN[C@@H](c1ccc(F)cc1)[*:1]
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN[C@@H](C(N)=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN[C@@H](C(N)=O)[*:1]
CC(C)c1nc(N2CCCc3ccccc32)sc1C=O CC(C)[*:1] O=Cc1sc(nc1[*:1])N1CCCc2ccccc21
O=C1NC(=S)N/C1=C/c1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] O=C1NC(=S)N/C1=C/c1ccccc1[*:1]
CCN(C(=O)Nc1cccc(NC(=O)C2CC2)c1)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)Nc1cccc(c1)NC(=O)C1CC1)[C@H](C)[*:1]
CCN(C(=O)Nc1cccc(NC(=O)C2CC2)c1)[C@H](C)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] CCN(C(=O)Nc1cccc(c1)NC(=O)C1CC1)[*:1]
CCN(C(=O)Nc1cccc(NC(=O)C2CC2)c1)[C@H](C)c1ccc(F)cc1 C1CC1[*:1] CCN(C(=O)Nc1cccc(c1)NC(=O)[*:1])[C@H](C)c1ccc(F)cc1
CCN(C(=O)Nc1cccc(NC(=O)C2CC2)c1)[C@H](C)c1ccc(F)cc1 O=C(N[*:1])C1CC1 CCN(C(=O)Nc1cccc(c1)[*:1])[C@H](C)c1ccc(F)cc1
CCN(C(=O)CNc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)CNc1c(F)cccc1F)[*:1]
Nc1nc(N(CCO)Cc2cccnc2)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Nc1nc(cc(n1)[*:1])N(CCO)Cc1cccnc1
Nc1nc(N(CCO)Cc2cccnc2)cc(-n2cccn2)n1 OCC[*:1] Nc1nc(cc(n1)-n1cccn1)N(Cc1cccnc1)[*:1]
Nc1nc(N(CCO)Cc2cccnc2)cc(-n2cccn2)n1 c1cncc(c1)[*:1] Nc1nc(cc(n1)-n1cccn1)N(CCO)C[*:1]
Nc1nc(N(CCO)Cc2cccnc2)cc(-n2cccn2)n1 c1cncc(c1)C[*:1] Nc1nc(cc(n1)-n1cccn1)N(CCO)[*:1]
C[C@@H](O)[C@@H](C)Oc1cccc2c1CCC[C@@H]2O C[C@@H](O)[C@@H](C)[*:1] O[C@H]1CCCc2c(cccc21)O[*:1]
C[C@@H](O)[C@@H](C)Oc1cccc2c1CCC[C@@H]2O C[C@@H](O)[*:1] C[C@@H](Oc1cccc2c1CCC[C@@H]2O)[*:1]
C[NH2+][C@H](C)[C@@H](c1nc(-c2cscc2C)no1)C(C)C CC(C)[*:1] C[NH2+][C@H](C)[C@@H](c1nc(no1)-c1cscc1C)[*:1]
C[NH2+][C@H](C)[C@@H](c1nc(-c2cscc2C)no1)C(C)C Cc1cscc1[*:1] C[NH2+][C@H](C)[C@@H](c1nc(no1)[*:1])C(C)C
CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1nc2c(C)cc(C)cc2s1 CCC[*:1] Cc1cc(C)c2nc(NC(=O)[C@H]3CCCCN3C(=O)[*:1])sc2c1
O=C(CSc1nncn1-c1ccccc1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 c1ccc(cc1)[*:1] O=C(CSc1nncn1[*:1])Nc1sc2CCCCc2c1C(=O)c1ccccc1
O=C(CSc1nncn1-c1ccccc1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 O=C(c1ccccc1)[*:1] O=C(CSc1nncn1-c1ccccc1)Nc1sc2CCCCc2c1[*:1]
O=C(CSc1nncn1-c1ccccc1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 c1ccc(cc1)-n1cnnc1[*:1] O=C(CS[*:1])Nc1sc2CCCCc2c1C(=O)c1ccccc1
O=C(CSc1nncn1-c1ccccc1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 c1ccc(cc1)[*:1] O=C(CSc1nncn1-c1ccccc1)Nc1sc2CCCCc2c1C(=O)[*:1]
CN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)NC3CCCCCC3)c2)CC1 C1CCCC(CC1)[*:1] CN(C)S(=O)(=O)N1CCC(CC1)Oc1cccc(c1)C(=O)N[*:1]
COc1ccc(F)c(Nc2ccc(C(=O)[O-])cc2)c1 O=C([O-])[*:1] COc1ccc(F)c(c1)Nc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2ccc(Cl)nc2)cc1 CC(C)(C)[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])NCc1ccc(Cl)nc1
CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NCC(=O)NC[*:1]
CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)C[*:1] CC(C)(C)c1ccc(cc1)C(=O)NCC(=O)N[*:1]
CCC[C@@H]1C[C@H]1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 c1csc(c1)[*:1] CCC[C@@H]1C[C@H]1NC(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 CCC[*:1] O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1C[C@H]1[*:1]
CCC[C@@H]1C[C@H]1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 CCC[C@@H]1C[C@@H]1[*:1] O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[*:1]
CCC[NH2+][C@H](Cc1csc(C)n1)[C@@H]1CSCCS1 Cc1nc(cs1)[*:1] CCC[NH2+][C@H](C[*:1])[C@@H]1CSCCS1
CCC[NH2+][C@H](Cc1csc(C)n1)[C@@H]1CSCCS1 CCC[*:1] Cc1nc(cs1)C[C@@H]([NH2+][*:1])[C@@H]1CSCCS1
CC(=O)N[C@@H](CC(=O)NC[C@@H](O)c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)NC[C@@H](O)c1ccc(F)cc1)[*:1]
CC(=O)N[C@@H](CC(=O)NC[C@@H](O)c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)NC[C@@H](O)[*:1])c1ccccc1
CC(=O)N[C@@H](CC(=O)NC[C@@H](O)c1ccc(F)cc1)c1ccccc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccccc1)[*:1])NC[C@@H](O)c1ccc(F)cc1
Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1S(=O)(=O)N1CCCCC1 C1CC1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1cccc(c1)C(=O)NC1CC1
Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1S(=O)(=O)N1CCCCC1 O=C(NC1CC1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1cccc(c1)[*:1]
O=C1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)[C@H](c2cccnc2)N1 c1cncc(c1)[*:1] O=C1CC[C@H](NC(=O)c2ccc3OCOc3c2)[C@H](N1)[*:1]
O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)c1ccoc1 c1cnn(c1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN1C(=O)c1ccoc1
O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)c1ccoc1 c1cc(co1)[*:1] O=C(Nc1cccc(c1)-n1cccn1)[C@H]1CCCN1C(=O)[*:1]
Cc1cc(NC(=O)CCS(=O)(=O)c2ccccc2)n(-c2nc(C)c(C)c([O-])n2)n1 O=S(=O)(c1ccccc1)[*:1] Cc1cc(NC(=O)CC[*:1])n(n1)-c1nc(C)c(C)c([O-])n1
Cc1cc(NC(=O)CCS(=O)(=O)c2ccccc2)n(-c2nc(C)c(C)c([O-])n2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CCS(=O)(=O)[*:1])n(n1)-c1nc(C)c(C)c([O-])n1
Cc1cc(C(=O)N2CCN(CCNC(=O)c3cccc(Br)c3)CC2)no1 Brc1cccc(c1)[*:1] Cc1cc(no1)C(=O)N1CCN(CCNC(=O)[*:1])CC1
Cc1cc(C(=O)N2CCN(CCNC(=O)c3cccc(Br)c3)CC2)no1 Cc1cc(no1)[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])c1cccc(Br)c1
CSc1cccc(N[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 CSc1cccc(c1)[*:1] C[C@@H](N[*:1])C(=O)Nc1ccc2OCCOc2c1
COc1ncnc(N)c1CN1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] COc1ncnc(N)c1CN1CCN(CC1)C(=O)[*:1]
C[C@H](O/N=C(/N)COc1ccccc1)C(=O)N(C)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](O/N=C(/N)COc1ccccc1)C(=O)N(C)[*:1]
C[C@H](O/N=C(/N)COc1ccccc1)C(=O)N(C)C1CCCCC1 c1ccc(cc1)O[*:1] C[C@H](O/N=C(/N)C[*:1])C(=O)N(C)C1CCCCC1
C[C@H](O/N=C(/N)COc1ccccc1)C(=O)N(C)C1CCCCC1 c1ccc(cc1)OC[*:1] C[C@H](O/N=C(/N)[*:1])C(=O)N(C)C1CCCCC1
C[C@H](O/N=C(/N)COc1ccccc1)C(=O)N(C)C1CCCCC1 c1ccc(cc1)[*:1] C[C@H](O/N=C(/N)CO[*:1])C(=O)N(C)C1CCCCC1
CS(=O)(=O)Nc1ccccc1CNC(=O)NCCC1=CCCCC1 CS(=O)(=O)N[*:1] O=C(NCCC1=CCCCC1)NCc1ccccc1[*:1]
C#CCN1CCN(CC#C)[C@H](C(=O)N(C)C)C1 C#CC[*:1] C#CCN1CCN([C@@H](C1)C(=O)N(C)C)[*:1]
C#CCN1CCN(CC#C)[C@H](C(=O)N(C)C)C1 CN(C)C(=O)[*:1] C#CCN1CCN(CC#C)[C@H](C1)[*:1]
C#CCN1CCN(CC#C)[C@H](C(=O)N(C)C)C1 C#CC[*:1] C#CCN1CCN(C[C@H]1C(=O)N(C)C)[*:1]
CCCc1nnc2sc(NC(=O)C(C)C)nn12 CC(C)[*:1] CCCc1nnc2sc(nn12)NC(=O)[*:1]
CCCc1nnc2sc(NC(=O)C(C)C)nn12 CCC[*:1] CC(C)C(=O)Nc1nn2c(nnc2s1)[*:1]
C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc(F)c(c1)[*:1]
C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] C[C@@H](Sc1nn(c(=S)s1)[*:1])C(=O)Nc1ccc(F)c(c1)[N+](=O)[O-]
Cc1ccccc1OCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 Cc1ccccc1O[*:1] O=C(C[*:1])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
Cc1ccccc1OCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] Cc1ccccc1OCC(=O)N1CCN(CC1)c1ccccc1[*:1]
Cc1ccccc1OCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 Cc1ccccc1[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
Cc1cccc(-c2nnc(COC(=O)C3CCC3)o2)c1 C1CC(C1)[*:1] Cc1cccc(c1)-c1nnc(COC(=O)[*:1])o1
Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2Cl)c1 Clc1cccc(c1Cl)[*:1] Cc1cccc(c1)-n1c(C)nnc1SCC(=O)N[*:1]
Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2Cl)c1 Cc1cccc(c1)[*:1] Cc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1[*:1]
COC(=O)c1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C)cc1 COC(=O)[*:1] CN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(cc1)[*:1]
COc1cc(C(=O)N2[C@@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])C(=O)N1[C@@H](C)CCC[C@H]1C
Cc1ccc(O[S@@](=O)N(C)c2nc3ccccc3nc2Cl)cc1 Cc1ccc(cc1)[*:1] CN(c1nc2ccccc2nc1Cl)[S@](=O)O[*:1]
CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)ccc1O CCO[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nn(-c3ccccc3)c(O)c1[C@H]2c1ccc(O)c(c1)[*:1]
CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)ccc1O c1ccc(cc1)[*:1] CCOc1cc(ccc1O)[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nn(c(O)c21)[*:1]
CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)ccc1O CCOc1cc(ccc1O)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nn(-c3ccccc3)c(O)c1[C@H]2[*:1]
CN(C[C@@H](O)CN1CCOCC1)C(=O)c1c[nH]c2nccc(Cl)c12 C1CN(CCO1)C[*:1] CN(C[C@@H](O)[*:1])C(=O)c1c[nH]c2nccc(Cl)c12
CN(C[C@@H](O)CN1CCOCC1)C(=O)c1c[nH]c2nccc(Cl)c12 C1CN(CCO1)[*:1] CN(C[C@@H](O)C[*:1])C(=O)c1c[nH]c2nccc(Cl)c12
COc1ccccc1N1CC[C@H](CNC(=O)c2ncccc2OC(C)C)C1 CC(C)[*:1] COc1ccccc1N1CC[C@H](CNC(=O)c2ncccc2O[*:1])C1
COc1ccccc1N1CC[C@H](CNC(=O)c2ncccc2OC(C)C)C1 CC(C)O[*:1] COc1ccccc1N1CC[C@H](CNC(=O)c2ncccc2[*:1])C1
COc1ccccc1N1CC[C@H](CNC(=O)c2ncccc2OC(C)C)C1 COc1ccccc1[*:1] CC(C)Oc1cccnc1C(=O)NC[C@H]1CCN(C1)[*:1]
COc1ccc(-n2ncc([C@H]3CC(=O)Nc4n[nH]c(C(=O)[O-])c43)c2C)cc1 O=C([O-])[*:1] COc1ccc(cc1)-n1ncc(c1C)[C@H]1CC(=O)Nc2n[nH]c(c21)[*:1]
COc1ccc(-n2ncc([C@H]3CC(=O)Nc4n[nH]c(C(=O)[O-])c43)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@H]1CC(=O)Nc2n[nH]c(C(=O)[O-])c21
Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)o1 Cc1ccc(o1)[*:1] O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1[*:1])c1ccc(Cl)cc1
Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)o1 Fc1ccc2nc(sc2c1)[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1[*:1]
Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)o1 O=C(c1ccc(Cl)cc1)[*:1] Cc1ccc(o1)[C@H]1C(=C([O-])C(=O)N1c1nc2ccc(F)cc2s1)[*:1]
Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)o1 Clc1ccc(cc1)[*:1] Cc1ccc(o1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nc2ccc(F)cc2s1
CC(=O)c1ccc(OC[C@@H](O)CN2CCn3c(nn(C)c3=O)C2)cc1 CC(=O)[*:1] Cn1nc2CN(CCn2c1=O)C[C@H](O)COc1ccc(cc1)[*:1]
Cn1nc(CNS(=O)(=O)C2CCCCC2)cc1-c1ccncc1 C1CCC(CC1)[*:1] Cn1nc(cc1-c1ccncc1)CNS(=O)(=O)[*:1]
Cn1nc(CNS(=O)(=O)C2CCCCC2)cc1-c1ccncc1 c1cc(ccn1)[*:1] Cn1nc(cc1[*:1])CNS(=O)(=O)C1CCCCC1
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)N[*:1]
Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)n2)o1 Cc1ccc(o1)[*:1] O=S(=O)(c1ccc2ccccc2c1)N1CCC[C@H](C1)c1nc(no1)[*:1]
Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)n2)o1 c1ccc2cc(ccc2c1)[*:1] Cc1ccc(o1)-c1noc(n1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCCCO[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3oc(C)nc3c2)C1(C)C CCC[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@H]1C[C@H](OC[*:1])C1(C)C
CCCCO[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3oc(C)nc3c2)C1(C)C CCCCO[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@H]1C[C@@H](C1(C)C)[*:1]
CCCCO[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3oc(C)nc3c2)C1(C)C CCCC[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@H]1C[C@H](O[*:1])C1(C)C
C[C@H]1CC([NH+]2CCN(CC(=O)N3CCCC3)CC2)C[C@H](C)C1 O=C(N1CCCC1)[*:1] C[C@H]1CC(C[C@H](C)C1)[NH+]1CCN(CC1)C[*:1]
Cc1ccc(NC(=O)NNc2ccc(F)cc2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NNc1ccc(F)cc1
Cc1ccc(NC(=O)NNc2ccc(F)cc2)cc1C(=O)N(C)C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)NN[*:1]
COc1ccc(COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 COc1ccc(cc1)[*:1] O=c1cc(c2ccc(cc2o1)OC[*:1])C(F)(F)F
COc1ccc(COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)COc1ccc2c(cc(=O)oc2c1)[*:1]
Cc1cc([C@H](C)NC(=O)CCCN2C(=O)CNC2=O)c(C)s1 O=C1CNC(=O)N1[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)CCC[*:1]
Cc1cc([C@H](C)NC(=O)CCCN2C(=O)CNC2=O)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)CCCN1C(=O)CNC1=O)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)N2CCC(N(C)C(C)=O)CC2)C12CCC2 CCO[*:1] CC(=O)N(C)C1CCN(CC1)C(=O)N[C@@H]1C[C@H](C12CCC2)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)N2CCC(N(C)C(C)=O)CC2)C12CCC2 CC(=O)N(C)[*:1] CCO[C@@H]1C[C@@H](NC(=O)N2CCC(CC2)[*:1])C12CCC2
CCC[C@@H](C)C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 CCC[C@@H](C)[*:1] N#C[C@H](C(=O)[*:1])c1nnc2CCCCCn21
CCC[C@@H](C)C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 CCC[*:1] C[C@@H](C(=O)[C@@H](C#N)c1nnc2CCCCCn21)[*:1]
O=C(c1cnc(-c2ccccc2)[nH]c1=O)N(CCO)CCO c1ccc(cc1)[*:1] O=C(c1cnc([nH]c1=O)[*:1])N(CCO)CCO
O=C(c1cnc(-c2ccccc2)[nH]c1=O)N(CCO)CCO OCC[*:1] O=C(c1cnc([nH]c1=O)-c1ccccc1)N(CCO)[*:1]
O=C(CCCn1cnnn1)N1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] O=C(CCCn1cnnn1)N1CCN(CC1)[*:1]
O=C(CCCn1cnnn1)N1CCN(c2ccc(Cl)cn2)CC1 c1nnnn1CC[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=C(CCCn1cnnn1)N1CCN(c2ccc(Cl)cn2)CC1 c1nnnn1C[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=C(CCCn1cnnn1)N1CCN(c2ccc(Cl)cn2)CC1 c1nnnn1[*:1] O=C(CCC[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=C(CN[C@H](c1ccccn1)C1CCCC1)Nc1ccc(F)c(F)c1F c1ccc(nc1)[*:1] O=C(CN[C@H](C1CCCC1)[*:1])Nc1ccc(F)c(F)c1F
O=C(CN[C@H](c1ccccn1)C1CCCC1)Nc1ccc(F)c(F)c1F C1CCC(C1)[*:1] O=C(CN[C@H](c1ccccn1)[*:1])Nc1ccc(F)c(F)c1F
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccco2)c1C c1coc(c1)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)C(C#N)=C[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccco2)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)/C(C#N)=C\c2ccco2)c(C)c1[*:1]
CC(C)CNC(=O)C[C@H](C)Cc1ccc(Cl)cc1 CC(C)C[*:1] C[C@@H](CC(=O)N[*:1])Cc1ccc(Cl)cc1
CC(C)CNC(=O)C[C@H](C)Cc1ccc(Cl)cc1 CC(C)[*:1] C[C@@H](CC(=O)NC[*:1])Cc1ccc(Cl)cc1
C[NH2+][C@@H](Cc1nccs1)[C@@]1(C)CCCO1 c1csc(n1)[*:1] C[NH2+][C@@H](C[*:1])[C@@]1(C)CCCO1
O[C@@H](Cc1nccs1)c1cc(Cl)c2c(c1)OCO2 c1csc(n1)[*:1] O[C@@H](C[*:1])c1cc(Cl)c2OCOc2c1
O[C@@H](Cc1nccs1)c1cc(Cl)c2c(c1)OCO2 c1csc(C[*:1])n1 O[C@@H](c1cc(Cl)c2OCOc2c1)[*:1]
CCCCN(C)C(=O)C(=O)N(C)c1ccccc1 CCCC[*:1] CN(C(=O)C(=O)N(C)[*:1])c1ccccc1
CCCCN(C)C(=O)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] CCCCN(C)C(=O)C(=O)N(C)[*:1]
CCCCN(C)C(=O)C(=O)N(C)c1ccccc1 CCC[*:1] CN(C[*:1])C(=O)C(=O)N(C)c1ccccc1
Cc1nnnn1-c1cc(NC(=O)NNC(=O)c2ccccc2)ccc1F Cc1nnnn1[*:1] O=C(NNC(=O)c1ccccc1)Nc1ccc(F)c(c1)[*:1]
Cc1nnnn1-c1cc(NC(=O)NNC(=O)c2ccccc2)ccc1F c1ccc(cc1)[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)NNC(=O)[*:1]
Cn1c(C(=O)Oc2cccc(C(N)=O)c2)c(Cl)c2ccccc21 NC(=O)[*:1] Cn1c(C(=O)Oc2cccc(c2)[*:1])c(Cl)c2ccccc21
Cc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC(=O)[C@H]1CCCN1/C=C/C(=O)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN1/C=C/C(=O)C(F)(F)F
Cc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 O=C(C(F)(F)F)[*:1] Cc1ccc(cc1)NC(=O)[C@H]1CCCN1C=C[*:1]
CCOc1cccc([C@H](C)Nc2ncnc3[nH]cnc23)c1 CCO[*:1] C[C@H](Nc1ncnc2[nH]cnc12)c1cccc(c1)[*:1]
C[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] C[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](CO)[*:1]
C[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](CO)c1ccco1 Clc1ccc(cc1)[*:1] C[C@H](C[*:1])C(=O)N[C@H](CO)c1ccco1
CCO[C@@H](C)c1noc(Cn2c(C3CC3)nc3ccccc32)n1 C1CC1[*:1] CCO[C@@H](C)c1noc(Cn2c(nc3ccccc32)[*:1])n1
CCO[C@@H](C)c1noc(Cn2c(C3CC3)nc3ccccc32)n1 CCO[*:1] C[C@@H](c1noc(Cn2c(nc3ccccc32)C2CC2)n1)[*:1]
C[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccncc1 C[C@@H](c1ccncc1)[*:1] O=C(CCc1cnn(c1)-c1ccccc1)N[*:1]
C[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)CCc1cnn(c1)-c1ccccc1)[*:1]
C[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccncc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCc1cnn(c1)[*:1])c1ccncc1
O=C(N[C@@H]1CCc2c(O)cccc21)NC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCc2c(O)cccc21)NC1(CCC1)[*:1]
CC(C)[C@](C)(O)CNC(=O)[C@@]1(C)CCCc2ccccc21 CC(C)[C@](C)(O)[*:1] C[C@@]1(CCCc2ccccc21)C(=O)NC[*:1]
CC(C)[C@](C)(O)CNC(=O)[C@@]1(C)CCCc2ccccc21 CC(C)[*:1] C[C@@]1(CCCc2ccccc21)C(=O)NC[C@](C)(O)[*:1]
C(=N/Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)\c1cccnc1 c1ccc(cc1)[*:1] C(=N/Nc1nc(nc(n1)N1CCCC1)N[*:1])\c1cccnc1
C(=N/Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)\c1cccnc1 C(=N/N[*:1])\c1cccnc1 c1ccc(cc1)Nc1nc(nc(n1)[*:1])N1CCCC1
C(=N/Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)\c1cccnc1 c1ccc(cc1)N[*:1] C(=N/Nc1nc(nc(n1)[*:1])N1CCCC1)\c1cccnc1
C(=N/Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)\c1cccnc1 C1CCN(C1)[*:1] C(=N/Nc1nc(nc(n1)[*:1])Nc1ccccc1)\c1cccnc1
C(=N/Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)\c1cccnc1 c1cncc(c1)[*:1] C(=NNc1nc(nc(n1)N1CCCC1)Nc1ccccc1)[*:1]
Cn1cc(NC(=O)N2CCCC[C@H]2CCCc2ccccc2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)NC(=O)N1CCCC[C@H]1CC[*:1]
Cn1cc(NC(=O)N2CCCC[C@H]2CCCc2ccccc2)cn1 c1ccc(cc1)CC[*:1] Cn1cc(cn1)NC(=O)N1CCCC[C@H]1C[*:1]
Cn1cc(NC(=O)N2CCCC[C@H]2CCCc2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)NC(=O)N1CCCC[C@H]1CCC[*:1]
Cn1cc(NC(=O)N2CCCC[C@H]2CCCc2ccccc2)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])N1CCCC[C@H]1CCCc1ccccc1
CC(=O)Cc1ccc(Br)c(F)c1 CC(=O)C[*:1] Fc1cc(ccc1Br)[*:1]
CC(=O)Cc1ccc(Br)c(F)c1 CC(=O)[*:1] Fc1cc(ccc1Br)C[*:1]
Cc1ccc(-n2cc(CN3CCN[C@@H](C(=O)N4CCCC4)C3)cn2)cc1C O=C(N1CCCC1)[*:1] Cc1ccc(cc1C)-n1cc(cn1)CN1CCN[C@@H](C1)[*:1]
Cc1ccc(-n2cc(CN3CCN[C@@H](C(=O)N4CCCC4)C3)cn2)cc1C Cc1ccc(cc1C)[*:1] O=C([C@H]1CN(CCN1)Cc1cnn(c1)[*:1])N1CCCC1
COc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@@H]3C(=O)N(CCc4ccccc4)CC(=O)N23)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@@H]2C(=O)N(CC(=O)N12)C[*:1]
COc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@@H]3C(=O)N(CCc4ccccc4)CC(=O)N23)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@@H]2C(=O)N(CC[*:1])CC(=O)N12
COc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@@H]3C(=O)N(CCc4ccccc4)CC(=O)N23)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@@H]2C(=O)N(CC(=O)N12)[*:1]
COc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@@H]3C(=O)N(CCc4ccccc4)CC(=O)N23)cc1 COc1ccc(cc1)[*:1] O=C1[C@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](N2C(=O)CN1CCc1ccccc1)[*:1]
COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 COc1ccccc1Cn1ncc2c1CCC[C@@H]2[*:1]
COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)C1CCCC1 C1CCC(C1)[*:1] COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)[*:1]
COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)C1CCCC1 COc1ccccc1[*:1] O=C(N[C@@H]1CCCc2c1cnn2C[*:1])C1CCCC1
Cc1ccccc1-c1nc2nc(CN3CCOCC3)cc([O-])n2n1 C1CN(CCO1)C[*:1] Cc1ccccc1-c1nc2nc(cc([O-])n2n1)[*:1]
Cc1ccccc1-c1nc2nc(CN3CCOCC3)cc([O-])n2n1 C1CN(CCO1)[*:1] Cc1ccccc1-c1nc2nc(cc([O-])n2n1)C[*:1]
Cc1ccccc1-c1nc2nc(CN3CCOCC3)cc([O-])n2n1 Cc1ccccc1[*:1] [O-]c1cc(CN2CCOCC2)nc2nc(nn12)[*:1]
CC(=O)c1ccc(OCC(=O)Nc2ccccc2N2CCOCC2)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccccc1N1CCOCC1
CC(=O)c1ccc(OCC(=O)Nc2ccccc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1ccccc1[*:1]
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] COc1ccc(cc1NC(=O)[*:1])C(=O)[O-]
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1Cl O=C([O-])[*:1] COc1ccc(cc1NC(=O)c1ccccc1Cl)[*:1]
CC(C)C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)[*:1] N#C[C@@H](c1ccccc1)c1ccc(cc1Cl)NC(=O)[C@@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CC(C)C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)C[*:1] N#C[C@@H](c1ccccc1)c1ccc(cc1Cl)NC(=O)[C@H](N1C(=O)[C@H]2CC=CC[C@H]2C1=O)[*:1]
CC(C)C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O c1ccc(cc1)[*:1] CC(C)C[C@H](C(=O)Nc1ccc(c(Cl)c1)[C@@H](C#N)[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CC(C)C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O N#C[C@@H](c1ccccc1)[*:1] CC(C)C[C@H](C(=O)Nc1ccc(c(Cl)c1)[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
C[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1cccs1 c1csc(c1)[*:1] N#CC1=C2SCN(CN2C(=O)C[C@H]1[*:1])c1ccc(Br)cc1
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1cccs1 Brc1ccc(cc1)[*:1] N#CC1=C2SCN(CN2C(=O)C[C@@H]1c1cccs1)[*:1]
Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])c1cc(=O)c(co1)OCc1ccc(Cl)cc1
Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)s1 Clc1ccc(cc1)[*:1] Cc1nnc(NC(=O)c2cc(=O)c(co2)OC[*:1])s1
Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)s1 Clc1ccc(cc1)C[*:1] Cc1nnc(NC(=O)c2cc(=O)c(co2)O[*:1])s1
O=C([O-])[C@H]1CCCCC[C@@H]1Nc1[nH+]ccc2sccc12 O=C([O-])[*:1] c1cc2sccc2c(N[C@H]2CCCCC[C@@H]2[*:1])[nH+]1
Cc1ccc(C(=O)NCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)NCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] Cc1ccc(cc1Cl)C(=O)NCCNc1ccc(Cl)cc1[*:1]
CCc1ccc(CN(C)C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)N(C)C[*:1]
CCc1ccc(CN(C)C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cc1 CN(C)C(=O)[*:1] CCc1ccc(cc1)CN(C)C(=O)Nc1ccc(C)c(c1)[*:1]
CN(C(=O)CS(=O)(=O)c1ccccc1)[C@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] CN(C(=O)CS(=O)(=O)[*:1])[C@H]1CCCc2ccccc21
COCc1ccc(C(=O)N2C[C@@H](C)[C@](O)(C3CCC3)C2)s1 C1CC(C1)[*:1] COCc1ccc(s1)C(=O)N1C[C@@H](C)[C@](O)(C1)[*:1]
COCc1ccc(C(=O)N2C[C@@H](C)[C@](O)(C3CCC3)C2)s1 COC[*:1] C[C@@H]1CN(C[C@@]1(O)C1CCC1)C(=O)c1ccc(s1)[*:1]
COC(=O)c1c(NC(=O)c2ccncc2C(=O)[O-])sc2c1CCCCCC2 O=C([O-])c1cnccc1[*:1] COC(=O)c1c(NC(=O)[*:1])sc2CCCCCCc21
COC(=O)c1c(NC(=O)c2ccncc2C(=O)[O-])sc2c1CCCCCC2 COC(=O)[*:1] O=C([O-])c1cnccc1C(=O)Nc1sc2CCCCCCc2c1[*:1]
COC(=O)c1c(NC(=O)c2ccncc2C(=O)[O-])sc2c1CCCCCC2 O=C([O-])[*:1] COC(=O)c1c(NC(=O)c2ccncc2[*:1])sc2CCCCCCc21
COCC(=O)N1CCOc2ccc(F)cc21 COC[*:1] O=C(N1CCOc2ccc(F)cc21)[*:1]
O=C(NC[C@H]1CCOC1)c1ccc(S(=O)(=O)N2CCCCC2)o1 C1C[C@@H](CO1)C[*:1] O=C(N[*:1])c1ccc(o1)S(=O)(=O)N1CCCCC1
O=C(NC[C@H]1CCOC1)c1ccc(S(=O)(=O)N2CCCCC2)o1 C1C[C@@H](CO1)[*:1] O=C(NC[*:1])c1ccc(o1)S(=O)(=O)N1CCCCC1
O=C(C[NH+]1CCc2ccccc2C1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(C[NH+]1CCc2ccccc2C1)N[*:1]
COC[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])[C@H]1CCS(=O)(=O)C1
COC[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 O=S1(=O)CC[C@@H](C1)[*:1] COC[C@@H](NC(=O)[*:1])c1ccc(F)c(F)c1
Cc1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cn1 O=C([O-])C[*:1] Cc1ccc(cn1)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cn1 O=C([O-])[*:1] Cc1ccc(cn1)C(=O)N1CCC(CC1)C[*:1]
O=C1CC[C@H](C(=O)N2CCC(Cn3cc[nH+]c3-c3ccccc3)CC2)N1 O=C1CC[C@H](N1)[*:1] O=C(N1CCC(CC1)Cn1cc[nH+]c1-c1ccccc1)[*:1]
O=C1CC[C@H](C(=O)N2CCC(Cn3cc[nH+]c3-c3ccccc3)CC2)N1 c1ccc(cc1)[*:1] O=C1CC[C@@H](N1)C(=O)N1CCC(CC1)Cn1cc[nH+]c1[*:1]
Cc1cnc(CS(=O)(=O)CCCc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1cnc(CS(=O)(=O)CCC[*:1])o1
Cc1cnc(CS(=O)(=O)CCCc2ccccc2)o1 Cc1cnc(o1)[*:1] O=S(=O)(CCCc1ccccc1)C[*:1]
CC(C)Cc1ccc(C/C([O-])=N/S(=O)(=O)c2cccs2)cc1 CC(C)[*:1] O=S(=O)(/N=C(\[O-])Cc1ccc(cc1)C[*:1])c1cccs1
CC(C)Cc1ccc(C/C([O-])=N/S(=O)(=O)c2cccs2)cc1 CC(C)C[*:1] O=S(=O)(/N=C(\[O-])Cc1ccc(cc1)[*:1])c1cccs1
CC(C)Cc1ccc(C/C([O-])=N/S(=O)(=O)c2cccs2)cc1 c1csc(c1)[*:1] CC(C)Cc1ccc(cc1)C/C([O-])=N/S(=O)(=O)[*:1]
Cc1nc2ccccc2[nH]c(=O)/c1=N/[NH2+]c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nc2ccccc2[nH]c(=O)/c1=N/[NH2+][*:1]
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCO[C@H](C(N)=O)C1 NC(=O)[*:1] C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCO[C@H](C1)[*:1]
Cc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2N)c(C)c1 Cc1ccc(c(C)c1)[*:1] Nc1c(nnn1[*:1])-c1nc(no1)-c1ccc(Cl)cc1
Cc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2N)c(C)c1 Clc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)-n1nnc(-c2nc(no2)[*:1])c1N
CS(=O)(=O)c1ccc(NC(=O)OCCO)cc1 OCC[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)O[*:1]
CS(=O)(=O)c1ccc(NC(=O)OCCO)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])OCCO
Cc1ccc(-n2nnnc2SCC(=O)N(C)CC2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)-n1nnnc1SCC(=O)N(C)C[*:1]
Cc1ccc(-n2nnnc2SCC(=O)N(C)CC2CCCCC2)cc1 C1CCC(CC1)C[*:1] Cc1ccc(cc1)-n1nnnc1SCC(=O)N(C)[*:1]
Cc1ccc(-n2nnnc2SCC(=O)N(C)CC2CCCCC2)cc1 Cc1ccc(cc1)[*:1] CN(CC1CCCCC1)C(=O)CSc1nnnn1[*:1]
Cc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cccc2ccccc12 Cc1ccccc1[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1cccc2ccccc12
CC(C)N(C/C(N)=N/O)C(=O)Cc1c(F)cccc1F N/C(=N\O)[*:1] CC(C)N(C[*:1])C(=O)Cc1c(F)cccc1F
CC(C)N(C/C(N)=N/O)C(=O)Cc1c(F)cccc1F CC(C)[*:1] N/C(CN(C(=O)Cc1c(F)cccc1F)[*:1])=N\O
CC(C)N(C/C(N)=N/O)C(=O)Cc1c(F)cccc1F N/C(C[*:1])=N\O CC(C)N(C(=O)Cc1c(F)cccc1F)[*:1]
CC(=O)Nc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(Cl)c1 CC(=O)[*:1] CC(=O)Nc1ccc(NC(=O)c2[nH]c(C)c(c2C)[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(Cl)c1 CC(=O)N[*:1] CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(cc2Cl)[*:1])c1C
CCOC[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)C1 CCO[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)C1 CCOC[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@@H]1C(=O)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)C1 CC(C)[*:1] CCOC[C@H]1CCN(C1)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)[*:1]
COc1cc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)c(Cl)cc1OCC(N)=O NC(=O)C[*:1] COc1cc(c(Cl)cc1O[*:1])[C@@H]1CC(=O)Nc2c1ccc1ccccc21
COc1cc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)c(Cl)cc1OCC(N)=O NC(=O)CO[*:1] COc1cc(c(Cl)cc1[*:1])[C@@H]1CC(=O)Nc2c1ccc1ccccc21
COc1cc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)c(Cl)cc1OCC(N)=O NC(=O)[*:1] COc1cc(c(Cl)cc1OC[*:1])[C@@H]1CC(=O)Nc2c1ccc1ccccc21
O=C1C[C@H]([NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CN1C1CC1 C1CC1[*:1] O=C1C[C@@H](CN1[*:1])[NH2+][C@@H]1CCCc2nc(sc21)-c1ccccc1F
O=C1C[C@H]([NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CN1C1CC1 Fc1ccccc1[*:1] O=C1C[C@@H](CN1C1CC1)[NH2+][C@@H]1CCCc2nc(sc21)[*:1]
Cc1c([C@@H](C)NC(=O)[C@@H](C)c2ccsc2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC(=O)[C@@H](C)c1ccsc1
Cc1c([C@@H](C)NC(=O)[C@@H](C)c2ccsc2)cnn1-c1ccc(F)cc1 c1cc(cs1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NC(=O)[C@@H](C)[*:1]
CCOc1ccccc1Nc1ncnc(OC2CCCCC2)c1N C1CCC(CC1)O[*:1] CCOc1ccccc1Nc1ncnc(c1N)[*:1]
CCOc1ccccc1Nc1ncnc(OC2CCCCC2)c1N CCO[*:1] Nc1c(ncnc1OC1CCCCC1)Nc1ccccc1[*:1]
CCOc1ccccc1Nc1ncnc(OC2CCCCC2)c1N C1CCC(CC1)[*:1] CCOc1ccccc1Nc1ncnc(O[*:1])c1N
CCC[C@@]1(C)NC(=O)N(CC(=O)N(C)CC2CC2)C1=O CCC[*:1] CN(CC1CC1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CCC[C@@]1(C)NC(=O)N(CC(=O)N(C)CC2CC2)C1=O C1CC1C[*:1] CCC[C@@]1(C)NC(=O)N(CC(=O)N(C)[*:1])C1=O
CCC[C@@]1(C)NC(=O)N(CC(=O)N(C)CC2CC2)C1=O C1CC1[*:1] CCC[C@@]1(C)NC(=O)N(CC(=O)N(C)C[*:1])C1=O
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 CCn1nnnc1[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(C)c(C)c1)[*:1]
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] CCn1nnnc1-c1ccc(OC)c(c1)S(=O)(=O)N[*:1]
CONC(=O)c1cc(-c2ccccc2Cl)[nH]n1 CONC(=O)[*:1] Clc1ccccc1-c1cc(n[nH]1)[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1ccc(Cl)cc1Br CSC[*:1] CC[C@H](N(C)C(=O)Nc1ccc(Cl)cc1Br)[*:1]
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@H]1[*:1]
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1ccccc1Cl CCOC(=O)[*:1] Cc1n[nH]c2OC(N)=C([C@@H](c3ccccc3Cl)c12)[*:1]
CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccccc4CC)C3)c(C)s2)no1 CCc1ccccc1NC(=O)[*:1] CCc1nc(no1)-c1cc(c(C)s1)S(=O)(=O)N1CCC[C@H](C1)[*:1]
CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccccc4CC)C3)c(C)s2)no1 CCc1ccccc1[*:1] CCc1nc(no1)-c1cc(c(C)s1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccccc4CC)C3)c(C)s2)no1 CCc1nc(no1)[*:1] CCc1ccccc1NC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1cc(sc1C)[*:1]
Cc1noc(CCCC(=O)NC[C@H](O)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1noc(CCCC(=O)NC[C@H](O)[*:1])n1
Cc1noc(CCCC(=O)NC[C@H](O)c2ccc(F)cc2)n1 Cc1noc(n1)[*:1] O=C(CCC[*:1])NC[C@H](O)c1ccc(F)cc1
Cc1noc(CCCC(=O)NC[C@H](O)c2ccc(F)cc2)n1 Cc1noc(C[*:1])n1 O=C(CC[*:1])NC[C@H](O)c1ccc(F)cc1
CN(C)c1cccc(CNC(=O)CCc2nc(-c3ccco3)no2)c1 c1coc(c1)[*:1] CN(C)c1cccc(c1)CNC(=O)CCc1nc(no1)[*:1]
CN(C)c1cccc(CNC(=O)CCc2nc(-c3ccco3)no2)c1 CN(C)[*:1] O=C(CCc1nc(no1)-c1ccco1)NCc1cccc(c1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2csc(-c3ccco3)n2)C1 COC(=O)C(C)(C)[*:1] O=C(c1csc(n1)-c1ccco1)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2csc(-c3ccco3)n2)C1 c1coc(c1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2csc(-c3ccco3)n2)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)C(=O)c1csc(n1)-c1ccco1)[*:1]
Cc1cccc(CNC(=O)Nc2nc3c(s2)COCC3)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])Nc1nc2CCOCc2s1
COC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)CCC3=O)c2C#N)C1 O=C1CCC(=O)N1C[*:1] COC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
COC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)CCC3=O)c2C#N)C1 O=C1CCC(=O)N1[*:1] COC(=O)N1CCc2c(C1)sc(NC(=O)C[*:1])c2C#N
CC(C)CC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 CC(C)C[*:1] CN(C)C(=O)[C@@]1(CCN(C1)C(=O)[*:1])Cc1ccccc1-c1ccccc1
CC(C)CC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 CN(C)C(=O)[*:1] CC(C)CC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C1)[*:1]
CC(C)CC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 CC(C)[*:1] CN(C)C(=O)[C@@]1(CCN(C1)C(=O)C[*:1])Cc1ccccc1-c1ccccc1
CC(C)CC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 c1ccc(cc1)[*:1] CC(C)CC(=O)N1CC[C@](Cc2ccccc2[*:1])(C1)C(=O)N(C)C
CCCCN(C)c1ncnc(Nc2ccc(Cl)cc2C)c1N CCCC[*:1] Cc1cc(Cl)ccc1Nc1ncnc(c1N)N(C)[*:1]
CCCCN(C)c1ncnc(Nc2ccc(Cl)cc2C)c1N CCCCN(C)[*:1] Cc1cc(Cl)ccc1Nc1ncnc(c1N)[*:1]
CCCCN(C)c1ncnc(Nc2ccc(Cl)cc2C)c1N CCC[*:1] Cc1cc(Cl)ccc1Nc1ncnc(c1N)N(C)C[*:1]
CC(C)([NH3+])CCC(=O)N1CCO[C@H](C#N)C1 CC(C)([NH3+])C[*:1] N#C[C@@H]1CN(CCO1)C(=O)C[*:1]
CC(C)([NH3+])CCC(=O)N1CCO[C@H](C#N)C1 CC(C)([NH3+])[*:1] N#C[C@@H]1CN(CCO1)C(=O)CC[*:1]
CC(C)[C@H]1CSC(NCC2CCOCC2)=[NH+]1 CC(C)[*:1] C1CC(CCO1)CNC1=[NH+][C@H](CS1)[*:1]
C[C@H]1Cc2ccccc2N1CCCOc1cccc(N)c1 Nc1cccc(c1)[*:1] C[C@H]1Cc2ccccc2N1CCCO[*:1]
O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCC[C@@H](O)C1 Clc1ccccc1[*:1] O=C(c1cn(C[*:1])nn1)N1CCC[C@@H](O)C1
CCN(CC(C)(C)O)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1
CCN(CC(C)(C)O)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 CC(C)(O)C[*:1] CCN(C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)[*:1]
O=C(C[S@@](=O)Cc1ccc(Cl)s1)Nc1cc(F)ccc1F Clc1ccc(C[*:1])s1 O=C(C[S@@](=O)[*:1])Nc1cc(F)ccc1F
O=C(C[S@@](=O)Cc1ccc(Cl)s1)Nc1cc(F)ccc1F Clc1ccc(s1)[*:1] O=C(C[S@@](=O)C[*:1])Nc1cc(F)ccc1F
O[C@@H](COc1ccccc1)[C@H]1CCOC2(CCCC2)C1 c1ccc(cc1)[*:1] O[C@@H](CO[*:1])[C@H]1CCOC2(CCCC2)C1
O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N[C@H]1CCOc2ccccc21 C1CO[C@@H](C1)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])N[C@H]1CCOc2ccccc21
C[NH+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
C[NH+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 O=[N+]([O-])[*:1] C[NH+](CCNS(=O)(=O)c1ccccc1[*:1])C1CCCCC1
O=C(Nc1cc(C(F)(F)F)ccc1O)c1ccc2[nH]cnc2c1 FC(F)(F)[*:1] O=C(Nc1cc(ccc1O)[*:1])c1ccc2[nH]cnc2c1
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@]2([O-])c2ccccc2)cc1 O=C(c1ccccc1)[*:1] CCOc1ccc(cc1)N1C(=O)C([O-])=C([C@@]1([O-])c1ccccc1)[*:1]
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@]2([O-])c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@]1([O-])c1ccccc1
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@]2([O-])c2ccccc2)cc1 CCO[*:1] O=C(C1=C([O-])C(=O)N(c2ccc(cc2)[*:1])[C@]1([O-])c1ccccc1)c1ccccc1
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@]2([O-])c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@]1([O-])[*:1]
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@]2([O-])c2ccccc2)cc1 CCOc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N([C@]1([O-])c1ccccc1)[*:1])c1ccccc1
CCCN1C(=O)c2c(C(=O)Nc3cccc(Cl)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CCCN1C(=O)c2c(ncn2C[C@]1(C)C(=O)N[*:1])C(=O)Nc1cccc(Cl)c1
CCCN1C(=O)c2c(C(=O)Nc3cccc(Cl)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 CCC[*:1] C[C@@]1(Cn2cnc(C(=O)Nc3cccc(Cl)c3)c2C(=O)N1[*:1])C(=O)NC1CCCC1
CCCN1C(=O)c2c(C(=O)Nc3cccc(Cl)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 Clc1cccc(c1)[*:1] CCCN1C(=O)c2c(ncn2C[C@]1(C)C(=O)NC1CCCC1)C(=O)N[*:1]
CCCN1C(=O)c2c(C(=O)Nc3cccc(Cl)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] CCCN1C(=O)c2c(ncn2C[C@@]1(C)[*:1])C(=O)Nc1cccc(Cl)c1
CCCN1C(=O)c2c(C(=O)Nc3cccc(Cl)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 O=C(Nc1cccc(Cl)c1)[*:1] CCCN1C(=O)c2c(ncn2C[C@]1(C)C(=O)NC1CCCC1)[*:1]
CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)N[C@@H](C)CC)nc21 CCC[*:1] CC[C@H](C)NC(=O)[C@@H](C)Sc1nnc2c3ccccc3n(c2n1)[*:1]
CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)N[C@@H](C)CC)nc21 CC[C@H](C)[*:1] CCCn1c2ccccc2c2nnc(nc21)S[C@H](C)C(=O)N[*:1]
CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)N[C@@H](C)CC)nc21 CC[C@H](C)NC(=O)[*:1] CCCn1c2ccccc2c2nnc(nc21)S[C@H](C)[*:1]
CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 c1cc2OCOc2cc1[*:1] CC[C@@H](C)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 CC[C@@H](C)[*:1] O=C1C[C@@H](CN1c1ccc2OCOc2c1)c1nc2ccccc2n1C[*:1]
CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21 CC[C@@H](C)C[*:1] O=C1C[C@@H](CN1c1ccc2OCOc2c1)c1nc2ccccc2n1[*:1]
CC[C@H](COC)NC(=O)Cc1cc(C)ccc1C CC[C@H](COC)[*:1] Cc1ccc(C)c(c1)CC(=O)N[*:1]
CC[C@H](COC)NC(=O)Cc1cc(C)ccc1C COC[*:1] CC[C@H](NC(=O)Cc1cc(C)ccc1C)[*:1]
CC(C)[C@H](CO)[NH2+]CCCS(C)(=O)=O CC(C)[*:1] CS(=O)(=O)CCC[NH2+][C@@H](CO)[*:1]
CC(C)[C@H](CO)[NH2+]CCCS(C)(=O)=O CS(=O)(=O)[*:1] CC(C)[C@H](CO)[NH2+]CCC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 CC(C)CC[*:1] CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 CC(C)CCO[*:1] CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 CC(C)C[*:1] CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 CC(C)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 CC(C)[*:1] CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C1)OCC[*:1]
O=C(COC(=O)Cn1nc([O-])c2ccccc2c1=O)Nc1c(Cl)cccc1C(F)(F)F FC(F)(F)[*:1] O=C(COC(=O)Cn1nc([O-])c2ccccc2c1=O)Nc1c(Cl)cccc1[*:1]
O=C(Cc1ccc[nH]1)Nc1ccc(NC(=O)N2CCCCCC2)cc1 c1c[nH]c(c1)[*:1] O=C(C[*:1])Nc1ccc(cc1)NC(=O)N1CCCCCC1
O=C(Cc1ccc[nH]1)Nc1ccc(NC(=O)N2CCCCCC2)cc1 c1c[nH]c(c1)C[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])N1CCCCCC1
CCC[NH2+][C@H]1CCC[C@@H](S[C@@H](C)CCO)C1 C[C@@H](CCO)[*:1] CCC[NH2+][C@H]1CCC[C@H](C1)S[*:1]
CCC[NH2+][C@H]1CCC[C@@H](S[C@@H](C)CCO)C1 CCC[*:1] C[C@@H](CCO)S[C@@H]1CCC[C@@H](C1)[NH2+][*:1]
CCC[NH2+][C@H]1CCC[C@@H](S[C@@H](C)CCO)C1 OCC[*:1] CCC[NH2+][C@H]1CCC[C@H](C1)S[C@@H](C)[*:1]
CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 CC[C@@H](CCO)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(F)c(F)c1
CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 OCC[*:1] CC[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)[*:1]
C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1nccs1 c1csc(n1)[*:1] C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)[*:1]
CC(C)CN(CC(N)=O)C(=O)c1cnc(Oc2ccccc2)cn1 NC(=O)[*:1] CC(C)CN(C[*:1])C(=O)c1cnc(cn1)Oc1ccccc1
CC(C)CN(CC(N)=O)C(=O)c1cnc(Oc2ccccc2)cn1 NC(=O)C[*:1] CC(C)CN(C(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
CC(C)CN(CC(N)=O)C(=O)c1cnc(Oc2ccccc2)cn1 CC(C)[*:1] NC(=O)CN(C[*:1])C(=O)c1cnc(cn1)Oc1ccccc1
CC(C)CN(CC(N)=O)C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] CC(C)CN(CC(N)=O)C(=O)c1cnc(cn1)[*:1]
CC(C)CN(CC(N)=O)C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CC(C)CN(CC(N)=O)C(=O)c1cnc(cn1)O[*:1]
CC(C)CN(CC(N)=O)C(=O)c1cnc(Oc2ccccc2)cn1 CC(C)C[*:1] NC(=O)CN(C(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
Cc1cc(Cl)c(S(=O)(=O)N2CCC[NH+](C)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(Cl)c(cc1[*:1])S(=O)(=O)N1CCC[NH+](C)CC1
N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 N#Cc1ccccc1[*:1] O=C(c1ccccc1[*:1])N1CCN(CC1)Cc1ccc(Cl)s1
N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(C[*:1])s1 N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(CC1)[*:1]
N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(CC1)C[*:1]
CCCN(CC1CC1)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 C1CC1[*:1] CCCN(C[*:1])C(=O)N[C@@H](C)c1cccc(c1)-n1ccnc1
CCCN(CC1CC1)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] CCCN(CC1CC1)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
CCCN(CC1CC1)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 C1CC1C[*:1] CCCN(C(=O)N[C@@H](C)c1cccc(c1)-n1ccnc1)[*:1]
CCCN(CC1CC1)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 CCC[*:1] C[C@H](NC(=O)N(CC1CC1)[*:1])c1cccc(c1)-n1ccnc1
CCCN1C(=O)CCc2cc(NC(=O)NCCc3c(C)noc3C)ccc21 Cc1noc(C)c1C[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)NC[*:1]
CCCN1C(=O)CCc2cc(NC(=O)NCCc3c(C)noc3C)ccc21 Cc1noc(C)c1[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)NCC[*:1]
CCCN1C(=O)CCc2cc(NC(=O)NCCc3c(C)noc3C)ccc21 Cc1noc(C)c1CC[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N[*:1]
CCCN1C(=O)CCc2cc(NC(=O)NCCc3c(C)noc3C)ccc21 CCC[*:1] Cc1noc(C)c1CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CN(C)C(=O)Nc1ccc(/C(N)=N/O)cc1 N/C(=N\O)[*:1] CN(C)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(OC)c(CN(C(=O)N[C@@H](C)c2ccccc2)C2CC2)c1 C1CC1[*:1] COc1ccc(OC)c(c1)CN(C(=O)N[C@@H](C)c1ccccc1)[*:1]
COc1ccc(OC)c(CN(C(=O)N[C@@H](C)c2ccccc2)C2CC2)c1 C[C@@H](c1ccccc1)[*:1] COc1ccc(OC)c(c1)CN(C(=O)N[*:1])C1CC1
COc1ccc(OC)c(CN(C(=O)N[C@@H](C)c2ccccc2)C2CC2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CN(C(=O)N[C@@H](C)[*:1])C1CC1
O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 c1c(sc2CCCCc12)[*:1] O=C(N1CCC[C@@H]1c1nc(n[nH]1)-c1ccccc1)[*:1]
O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] O=C(c1cc2CCCCc2s1)N1CCC[C@@H]1c1nc(n[nH]1)[*:1]
CC[C@H](C)/[NH+]=C(/N)NCC(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@H](C)/[NH+]=C(/N)NCC(C)(C)[*:1]
O=C(CCOc1ccccc1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 c1ccc(cc1)O[*:1] O=C(CC[*:1])N1CCC[C@H](C1)N1CCN(CC1)c1ccc(F)cc1
O=C(CCOc1ccccc1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 c1ccc(cc1)OCC[*:1] O=C(N1CCC[C@H](C1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
O=C(CCOc1ccccc1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)[*:1] O=C(CCOc1ccccc1)N1CCC[C@H](C1)N1CCN(CC1)[*:1]
O=C(CCOc1ccccc1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 c1ccc(cc1)OC[*:1] O=C(C[*:1])N1CCC[C@H](C1)N1CCN(CC1)c1ccc(F)cc1
O=C(CCOc1ccccc1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 c1ccc(cc1)[*:1] O=C(CCO[*:1])N1CCC[C@H](C1)N1CCN(CC1)c1ccc(F)cc1
Cc1ccc(C[NH2+]Cc2nnc3n2CCC[C@@H]3C(F)(F)F)o1 Cc1ccc(C[*:1])o1 FC(F)(F)[C@H]1CCCn2c(C[NH2+][*:1])nnc21
Cc1ccc(C[NH2+]Cc2nnc3n2CCC[C@@H]3C(F)(F)F)o1 Cc1ccc(o1)[*:1] FC(F)(F)[C@H]1CCCn2c(C[NH2+]C[*:1])nnc21
Cc1ccc(C[NH2+]Cc2nnc3n2CCC[C@@H]3C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(C[NH2+]Cc2nnc3[C@@H](CCCn23)[*:1])o1
COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 c1cnc2nc(oc2c1)[*:1] COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(c2)[*:1])cc1
COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 COc1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ccc(Cl)c(c1)-c1nc2ncccc2o1
CC(C)[C@H]([NH2+][C@@H](C)C[C@@H]1CCCC[NH2+]1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H]([NH2+][C@@H](C)C[C@@H]1CCCC[NH2+]1)[*:1]
CC(C)[C@H]([NH2+][C@@H](C)C[C@@H]1CCCC[NH2+]1)C(=O)[O-] CC(C)[*:1] C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+][C@H](C(=O)[O-])[*:1]
O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1csc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCCC1)c1csc(n1)[*:1]
O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1csc(-c2ccc(Cl)cc2)n1 O=C(N1CCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1csc(n1)-c1ccc(Cl)cc1
COCC(=O)N1CCN(C(=O)c2ccc(CSC)cc2)CC1 CSC[*:1] COCC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COCC(=O)N1CCN(C(=O)c2ccc(CSC)cc2)CC1 COC[*:1] CSCc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[*:1]
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(cc1)[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCN(Cc2ccc(O)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)Cc1ccc(O)c(c1)[*:1]
CCN(C)C(=O)c1cccc(OC(=O)c2csc(-c3ccc(C)cc3C)n2)c1 Cc1ccc(c(C)c1)[*:1] CCN(C)C(=O)c1cccc(c1)OC(=O)c1csc(n1)[*:1]
CCN(C)C(=O)c1cccc(OC(=O)c2csc(-c3ccc(C)cc3C)n2)c1 CCN(C)C(=O)[*:1] Cc1ccc(-c2nc(cs2)C(=O)Oc2cccc(c2)[*:1])c(C)c1
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1nc[nH]n1 O=S(=O)(N1CCCC1)[*:1] O=C(CCc1ccc(cc1)[*:1])Nc1nc[nH]n1
CC[C@@H](/C([O-])=N/S(=O)(=O)c1cccc(OC)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](/C([O-])=N/S(=O)(=O)c1cccc(c1)OC)[*:1]
O=C(O[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cccnc1 c1cncc(c1)[*:1] O=C1[C@H](CCCN1c1ccccc1Cl)OC(=O)[*:1]
O=C(O[C@H]1CCCN(c2ccccc2Cl)C1=O)c1cccnc1 Clc1ccccc1[*:1] O=C(O[C@H]1CCCN(C1=O)[*:1])c1cccnc1
Cn1c(=O)n(CCC(=O)NCc2cccc(NS(C)(=O)=O)c2)c2ccccc21 CS(=O)(=O)N[*:1] Cn1c(=O)n(CCC(=O)NCc2cccc(c2)[*:1])c2ccccc21
C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 c1csc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)[C@H]1CCCN(C1)C(=O)C(C)(C)C
C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 c1csc(c1)C[*:1] C[NH+](C)CCN(C(=O)[C@H]1CCCN(C1)C(=O)C(C)(C)C)[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 CC(C)(C)[*:1] C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccccc1[C@H](C)CC(=O)N1CCOC[C@H]1C(N)=O NC(=O)[*:1] COc1ccccc1[C@H](C)CC(=O)N1CCOC[C@@H]1[*:1]
CC(C)[C@@H](NC[C@@H](O)c1ccsc1)c1ccccc1 CC(C)[*:1] O[C@H](CN[C@@H](c1ccccc1)[*:1])c1ccsc1
CC(C)[C@@H](NC[C@@H](O)c1ccsc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC[C@@H](O)c1ccsc1)[*:1]
CC(C)[C@@H](NC[C@@H](O)c1ccsc1)c1ccccc1 c1cc(cs1)[*:1] CC(C)[C@@H](NC[C@@H](O)[*:1])c1ccccc1
CCOC(=O)c1ccc(CNC(=O)Nc2ccnn2C2CCCCC2)o1 C1CCC(CC1)[*:1] CCOC(=O)c1ccc(CNC(=O)Nc2ccnn2[*:1])o1
CCOC(=O)c1ccc(CNC(=O)Nc2ccnn2C2CCCCC2)o1 CCOC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])Nc1ccnn1C1CCCCC1
CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 CC(C)[*:1] CN1C(=O)C[C@H](NC(=O)N(CC[NH+](C)C)[*:1])[C@@H]1c1ccc(Cl)cc1
CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1[*:1]
C[NH+](C)[C@H](CNC(=O)c1n[nH]c2ccccc12)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)c1n[nH]c2ccccc12)[*:1]
Cc1ncccc1NC(=O)c1csc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ncccc1NC(=O)c1csc(c1)[*:1]
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCCC2)N3C(=O)c2ccccc2C)c1 O=C(N1CCCC1)[*:1] COc1cccc(c1)C(=O)N1CCC2(CC1)OC[C@@H](N2C(=O)c1ccccc1C)[*:1]
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCCC2)N3C(=O)c2ccccc2C)c1 Cc1ccccc1[*:1] COc1cccc(c1)C(=O)N1CCC2(CC1)OC[C@@H](C(=O)N1CCCC1)N2C(=O)[*:1]
COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCCC2)N3C(=O)c2ccccc2C)c1 COc1cccc(c1)[*:1] Cc1ccccc1C(=O)N1[C@@H](COC12CCN(CC2)C(=O)[*:1])C(=O)N1CCCC1
Nc1nc(N2CCCC2)[nH+]c2c1CCN(Cc1ccc3ncccc3c1)C2 C1CCN(C1)[*:1] Nc1nc([nH+]c2CN(CCc12)Cc1ccc2ncccc2c1)[*:1]
Cc1nc(S(=O)(=O)N2CCN(Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)cn1C Cc1nc(cn1C)[*:1] C[C@H]1C[C@@H]1c1ccc(CN2CCN(CC2)S(=O)(=O)[*:1])o1
C[C@@H](CNC(=O)C[C@@H](O)c1ccccc1)c1cccs1 c1csc(c1)[*:1] C[C@@H](CNC(=O)C[C@@H](O)c1ccccc1)[*:1]
C[C@@H](CNC(=O)C[C@@H](O)c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)C[C@@H](O)[*:1])c1cccs1
CCc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)C(C#N)=C(N)O2 c1ccc(cc1)[*:1] CCc1[nH]nc2OC(N)=C(C#N)C3(CCN(CC3)C(=O)[*:1])c21
COC(=O)[C@@H]1CCN(C(=O)NCC(=O)[O-])C1 COC(=O)[*:1] O=C([O-])CNC(=O)N1CC[C@H](C1)[*:1]
COC(=O)[C@@H]1CCN(C(=O)NCC(=O)[O-])C1 O=C([O-])[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)NC[*:1]
COC(=O)[C@@H]1CCN(C(=O)NCC(=O)[O-])C1 O=C([O-])C[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)N[*:1]
COC(=O)[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H]1OC(C)(C)O[C@H]1COC[*:1]
COC(=O)[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1 COC(=O)[*:1] CC1(C)O[C@@H](COCc2ccccc2)[C@@H](O1)[*:1]
CS(=O)(=O)c1ccc(N2CC[NH2+]CC2)c(N)c1 CS(=O)(=O)[*:1] Nc1cc(ccc1N1CC[NH2+]CC1)[*:1]
CCn1c([O-])c2ccc(C(=O)NCCc3ccc(Br)s3)cc2nc1=S Brc1ccc(s1)[*:1] CCn1c([O-])c2ccc(cc2nc1=S)C(=O)NCC[*:1]
CCn1c([O-])c2ccc(C(=O)NCCc3ccc(Br)s3)cc2nc1=S Brc1ccc(CC[*:1])s1 CCn1c([O-])c2ccc(cc2nc1=S)C(=O)N[*:1]
CCn1c([O-])c2ccc(C(=O)NCCc3ccc(Br)s3)cc2nc1=S Brc1ccc(C[*:1])s1 CCn1c([O-])c2ccc(cc2nc1=S)C(=O)NC[*:1]
C[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)NC[C@@H]1CCCO1)[*:1]
C[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccsc1 C1CO[C@@H](C1)[*:1] C[C@@H](C(=O)NC[*:1])c1ccsc1
C[C@@H]1CC(=O)N(CC(C)(C)C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1CC(=O)N(C1)CC(C)(C)[*:1]
C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H]1CCc2cc(F)ccc2N1C(=O)[*:1]
Cc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c(C)c1 Cc1ccc(c(C)c1)[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@H]1[*:1])c1cccc(F)c1
Cc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c(C)c1 Fc1cccc(c1)[*:1] Cc1ccc(c(C)c1)[C@H]1C(C#N)=C(N)N(C2CCCC(=O)C=21)[*:1]
CC[C@H](NC(=O)N1CCc2ccc(O)cc2C1)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)N1CCc2ccc(O)cc2C1)[*:1]
C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Nc1ccc(C#N)cc1 Oc1cccc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Nc1ccc(C#N)cc1
C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Nc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)N[*:1]
C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Nc1ccc(C#N)cc1 Oc1cccc(c1)C[*:1] C[NH+](C)CCN(C(=O)Nc1ccc(C#N)cc1)[*:1]
Cc1cc(S(=O)(=O)NC[C@@H](C)O)sc1C C[C@@H](O)C[*:1] Cc1cc(sc1C)S(=O)(=O)N[*:1]
Cc1cc(S(=O)(=O)NC[C@@H](C)O)sc1C C[C@@H](O)[*:1] Cc1cc(sc1C)S(=O)(=O)NC[*:1]
O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(ccc1[*:1])C(F)(F)F
O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 FC(F)(F)[*:1] O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(ccc1N1CCOCC1)[*:1]
CC[C@@H](C)C(=O)Nc1nnc(CS(=O)(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] CC[C@@H](C)C(=O)Nc1nnc(CS(=O)(=O)[*:1])s1
CC[C@@H](C)C(=O)Nc1nnc(CS(=O)(=O)c2ccccc2)s1 CC[C@@H](C)C(=O)N[*:1] O=S(=O)(Cc1nnc(s1)[*:1])c1ccccc1
CC[C@@H](C)C(=O)Nc1nnc(CS(=O)(=O)c2ccccc2)s1 CC[C@@H](C)[*:1] O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)s1)[*:1]
CCCC(=O)N(C)Cc1ccc(Cl)cc1 CCC[*:1] CN(Cc1ccc(Cl)cc1)C(=O)[*:1]
C=CCN(C(=O)c1ccccc1S(C)(=O)=O)c1nc(-c2ccccc2)cs1 C=CC[*:1] CS(=O)(=O)c1ccccc1C(=O)N(c1nc(cs1)-c1ccccc1)[*:1]
C=CCN(C(=O)c1ccccc1S(C)(=O)=O)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C=CCN(C(=O)c1ccccc1S(C)(=O)=O)c1nc(cs1)[*:1]
C=CCN(C(=O)c1ccccc1S(C)(=O)=O)c1nc(-c2ccccc2)cs1 CS(=O)(=O)[*:1] C=CCN(C(=O)c1ccccc1[*:1])c1nc(cs1)-c1ccccc1
Cc1cscc1CNc1c(N)n(C)c(=O)[nH]c1=O Cc1cscc1[*:1] Cn1c(N)c(NC[*:1])c(=O)[nH]c1=O
Cc1cnccc1CCN[C@@H](C)c1oc2ccccc2c1C Cc1cnccc1[*:1] Cc1c(oc2ccccc12)[C@H](C)NCC[*:1]
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccc2c(c1)OCO2 Clc1ccc(c(Br)c1)[*:1] C[C@H](O[*:1])C(=O)NCc1ccc2OCOc2c1
COc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 Cc1cc(C)cc(c1)[*:1] COc1ccc(OCC(=O)N[*:1])c(c1)[N+](=O)[O-]
COc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(c1)[*:1]
COc1cc(OC)c(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1Cl c1cc2OCOc2cc1[*:1] COc1cc(OC)c(cc1Cl)NC(=O)CNC(=O)[*:1]
O=C(NC1CCCCC1)c1ccc(NCC(=O)N2CCCCC2)cc1 C1CCC(CC1)[*:1] O=C(N[*:1])c1ccc(cc1)NCC(=O)N1CCCCC1
O=C(NC1CCCCC1)c1ccc(NCC(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] O=C(NC1CCCCC1)c1ccc(cc1)NC[*:1]
O=C(Cc1ccc2c(c1)CCCC2)NNC(=O)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(Cc1ccc2CCCCc2c1)NNC(=O)[*:1]
COCCn1c(S(C)(=O)=O)nc2ccccc21 COCC[*:1] CS(=O)(=O)c1nc2ccccc2n1[*:1]
COCCn1c(S(C)(=O)=O)nc2ccccc21 COC[*:1] CS(=O)(=O)c1nc2ccccc2n1C[*:1]
COCCn1c(S(C)(=O)=O)nc2ccccc21 CS(=O)(=O)[*:1] COCCn1c(nc2ccccc21)[*:1]
Cc1nn(-c2ccccc2)c(CSc2ncnc3ccccc23)c1C#N c1ccc(cc1)[*:1] Cc1nn(c(CSc2ncnc3ccccc23)c1C#N)[*:1]
C[C@@H](NC(=O)NCCC(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 FC(F)(F)C[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@@H](NC(=O)NCCC(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 FC(F)(F)CC[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@@H](NC(=O)NCCC(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@@H](NC(=O)NCCC(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] C[C@@H](NC(=O)NCCC(F)(F)F)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)NCCC(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H](NC(=O)NCCC(F)(F)F)c1ccc(cc1)NC(=O)N[*:1]
COC(=O)[C@]1(F)CCN(C(=O)CSc2ccc3c(c2)CCC3)C1 COC(=O)[*:1] O=C(CSc1ccc2CCCc2c1)N1CC[C@@](F)(C1)[*:1]
CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] CNC(=S)N1N=C(C[C@@H]1[*:1])c1ccc(cc1)OC
CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1Cl COc1ccc(cc1)[*:1] CNC(=S)N1N=C(C[C@H]1c1ccccc1Cl)[*:1]
Cn1cnn(-c2ccc(NC(=O)NCC(C3CC3)C3CC3)cc2)c1=O Cn1cnn(c1=O)[*:1] O=C(NCC(C1CC1)C1CC1)Nc1ccc(cc1)[*:1]
Cn1cnn(-c2ccc(NC(=O)NCC(C3CC3)C3CC3)cc2)c1=O C1CC1C(C[*:1])C1CC1 Cn1cnn(-c2ccc(cc2)NC(=O)N[*:1])c1=O
Cn1cnn(-c2ccc(NC(=O)NCC(C3CC3)C3CC3)cc2)c1=O C1CC1[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)NCC(C2CC2)[*:1])c1=O
Cn1cnn(-c2ccc(NC(=O)NCC(C3CC3)C3CC3)cc2)c1=O C1CC1C(C1CC1)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)NC[*:1])c1=O
Cn1cnc2c1c(=O)n(CCCSc1nnc(-c3c[nH]c4ccccc34)o1)c(=O)n2C c1ccc2c(c[nH]c2c1)[*:1] Cn1cnc2c1c(=O)n(CCCSc1nnc(o1)[*:1])c(=O)n2C
COc1ccc(-c2nonc2NC(=O)Cc2cccc3ccccc23)c(C)c1 COc1ccc(c(C)c1)[*:1] O=C(Cc1cccc2ccccc12)Nc1nonc1[*:1]
CC(C)[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1COc2ccccc21 CC(C)[*:1] C[C@H]1CN(C[C@@H]2COc3ccccc32)[C@@H](C[NH2+]1)[*:1]
N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1cccnc1 c1cncc(c1)[*:1] N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1[*:1]
O=C([C@H]1CCCCN1C(=O)c1cccs1)N1CCC[C@H](c2nc3ccccc3s2)C1 c1csc(c1)[*:1] O=C([C@H]1CCCCN1C(=O)[*:1])N1CCC[C@@H](C1)c1nc2ccccc2s1
O=C([C@H]1CCCCN1C(=O)c1cccs1)N1CCC[C@H](c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] O=C([C@H]1CCCCN1C(=O)c1cccs1)N1CCC[C@H](C1)[*:1]
CSc1nnnn1-c1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 CSc1nnnn1[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(c1)[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@H](NC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1ccccc1)[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)[O-] CC[C@@H](C)[*:1] O=C(N[C@H](C(=O)[O-])[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccccc1
CC[C@@H](C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)[O-] c1ccc(cc1)[*:1] CC[C@@H](C)[C@H](NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1])C(=O)[O-]
CCOC(=O)C1=C(COC(=O)c2sccc2C)NC(=O)N[C@H]1C CCOC(=O)[*:1] Cc1ccsc1C(=O)OCC1NC(=O)N[C@@H](C)C=1[*:1]
CCOC(=O)C1=C(COC(=O)c2sccc2C)NC(=O)N[C@H]1C Cc1ccsc1[*:1] CCOC(=O)C1=C(COC(=O)[*:1])NC(=O)N[C@H]1C
COc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1F O=C([O-])[*:1] COc1ccc(cc1F)NC(=O)N1CC[C@@H]([C@H]1C)[*:1]
Cc1cc(C(=O)NCc2ccc[nH]2)ccc1-n1cncn1 c1ncn(n1)[*:1] Cc1cc(ccc1[*:1])C(=O)NCc1ccc[nH]1
Cc1cc(C(=O)NCc2ccc[nH]2)ccc1-n1cncn1 c1c[nH]c(c1)[*:1] Cc1cc(ccc1-n1cncn1)C(=O)NC[*:1]
Cc1cc(C(=O)NCc2ccc[nH]2)ccc1-n1cncn1 c1c[nH]c(c1)C[*:1] Cc1cc(ccc1-n1cncn1)C(=O)N[*:1]
COC(=O)CN1C(=O)N/C(=C/c2ccc(C)o2)C1=O COC(=O)[*:1] Cc1ccc(/C=C2/NC(=O)N(C[*:1])C2=O)o1
COC(=O)CN1C(=O)N/C(=C/c2ccc(C)o2)C1=O Cc1ccc(o1)[*:1] COC(=O)CN1C(=O)NC(=C[*:1])C1=O
COC(=O)CN1C(=O)N/C(=C/c2ccc(C)o2)C1=O COC(=O)C[*:1] Cc1ccc(/C=C2/NC(=O)N(C2=O)[*:1])o1
CC(C)CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 CC(C)C[*:1] O=C(Cn1nc(cc1C1CC1)C(F)(F)F)N[*:1]
CC(C)CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 CC(C)[*:1] O=C(Cn1nc(cc1C1CC1)C(F)(F)F)NC[*:1]
CC(C)CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 FC(F)(F)[*:1] CC(C)CNC(=O)Cn1nc(cc1C1CC1)[*:1]
CC(C)CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 C1CC1[*:1] CC(C)CNC(=O)Cn1nc(cc1[*:1])C(F)(F)F
Cc1nc(-c2cccc(C(=O)N(c3ccc(C#N)cc3)C3CC3)c2)no1 Cc1nc(no1)[*:1] N#Cc1ccc(cc1)N(C(=O)c1cccc(c1)[*:1])C1CC1
Cc1nc(-c2cccc(C(=O)N(c3ccc(C#N)cc3)C3CC3)c2)no1 C1CC1[*:1] Cc1nc(no1)-c1cccc(c1)C(=O)N(c1ccc(C#N)cc1)[*:1]
Cc1nc(-c2cccc(C(=O)N(c3ccc(C#N)cc3)C3CC3)c2)no1 N#Cc1ccc(cc1)[*:1] Cc1nc(no1)-c1cccc(c1)C(=O)N(C1CC1)[*:1]
O=C(CN(C[C@H]1CCCO1)C(=O)CCc1cccc(F)c1)N1CCCC1 Fc1cccc(c1)C[*:1] O=C(CN(C[C@H]1CCCO1)C(=O)C[*:1])N1CCCC1
O=C(CN(C[C@H]1CCCO1)C(=O)CCc1cccc(F)c1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(CCc1cccc(F)c1)N(C[C@H]1CCCO1)[*:1]
O=C(CN(C[C@H]1CCCO1)C(=O)CCc1cccc(F)c1)N1CCCC1 Fc1cccc(c1)[*:1] O=C(CN(C[C@H]1CCCO1)C(=O)CC[*:1])N1CCCC1
O=C(CN(C[C@H]1CCCO1)C(=O)CCc1cccc(F)c1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(CCc1cccc(F)c1)N(C[C@H]1CCCO1)C[*:1]
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NNC(=O)c1ccc(Cl)cc1)c1nc3ccccc3nc12 Clc1ccc(cc1)[*:1] CC1(C)[C@@]2(C)CC[C@]1(C(=O)NNC(=O)[*:1])c1nc3ccccc3nc12
CNS(=O)(=O)CC(=O)N[C@H](C)c1cc(C)sc1C CNS(=O)(=O)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)C[*:1]
CNS(=O)(=O)CC(=O)N[C@H](C)c1cc(C)sc1C CNS(=O)(=O)C[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)[*:1]
CCOc1ccc(OCC(=O)N2CCN(c3nc(C)ns3)CC2)cc1 Cc1nsc(n1)[*:1] CCOc1ccc(cc1)OCC(=O)N1CCN(CC1)[*:1]
CCOc1ccc(OCC(=O)N2CCN(c3nc(C)ns3)CC2)cc1 CCO[*:1] Cc1nsc(n1)N1CCN(CC1)C(=O)COc1ccc(cc1)[*:1]
CC[C@@H](C)[C@H]1NC(=O)CN(CC(C)(C)S(C)(=O)=O)C1=O CS(=O)(=O)[*:1] CC[C@@H](C)[C@H]1NC(=O)CN(CC(C)(C)[*:1])C1=O
CC[C@@H](C)[C@H]1NC(=O)CN(CC(C)(C)S(C)(=O)=O)C1=O CC[C@@H](C)[*:1] CC(C)(CN1CC(=O)N[C@@H](C1=O)[*:1])S(C)(=O)=O
CC(=O)NCC(=O)NCC(=O)NCC1(c2cccc(C)c2)CCCC1 Cc1cccc(c1)[*:1] CC(=O)NCC(=O)NCC(=O)NCC1(CCCC1)[*:1]
CC(=O)NCC(=O)NCC(=O)NCC1(c2cccc(C)c2)CCCC1 CC(=O)N[*:1] Cc1cccc(c1)C1(CCCC1)CNC(=O)CNC(=O)C[*:1]
CC(=O)NCC(=O)NCC(=O)NCC1(c2cccc(C)c2)CCCC1 CC(=O)NCC(=O)N[*:1] Cc1cccc(c1)C1(CCCC1)CNC(=O)C[*:1]
CC(=O)NCC(=O)NCC(=O)NCC1(c2cccc(C)c2)CCCC1 CC(=O)NC[*:1] Cc1cccc(c1)C1(CCCC1)CNC(=O)CNC(=O)[*:1]
CC(=O)c1ccc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)NC[C@H]1CCCN(C1)[*:1]
CC(=O)c1ccc(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)cc1 CC(=O)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)Nc1ccc(cc1)[*:1]
N#Cc1cccc(C2=NN=C3CCN(c4ccc(-c5ccccc5)nn4)C[C@H]32)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)C1=NN=C2CCN(C[C@H]21)c1ccc(nn1)[*:1]
N#Cc1cccc(C2=NN=C3CCN(c4ccc(-c5ccccc5)nn4)C[C@H]32)c1 N#Cc1cccc(c1)[*:1] c1ccc(cc1)-c1ccc(nn1)N1CCC2=NN=C([C@@H]2C1)[*:1]
Cc1ccc(N[C@@]2(C)CS(=O)(=O)C[C@@H]2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)N[C@@]1(C)CS(=O)(=O)C[C@H]1[*:1]
Cc1ccc(NC(=O)Cc2cccc(OCc3cccnc3)c2)cc1C c1cncc(c1)C[*:1] Cc1ccc(cc1C)NC(=O)Cc1cccc(c1)O[*:1]
Cc1ccc(NC(=O)Cc2cccc(OCc3cccnc3)c2)cc1C c1cncc(c1)CO[*:1] Cc1ccc(cc1C)NC(=O)Cc1cccc(c1)[*:1]
Cc1ccc(NC(=O)Cc2cccc(OCc3cccnc3)c2)cc1C Cc1ccc(cc1C)[*:1] O=C(Cc1cccc(c1)OCc1cccnc1)N[*:1]
Cc1ccc(NC(=O)Cc2cccc(OCc3cccnc3)c2)cc1C c1cncc(c1)[*:1] Cc1ccc(cc1C)NC(=O)Cc1cccc(c1)OC[*:1]
C#Cc1cccc(NC(=O)C[NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)c1 C#Cc1cccc(c1)[*:1] COc1ccc(cc1)-c1n[nH]cc1C[NH+](C)CC(=O)N[*:1]
C#Cc1cccc(NC(=O)C[NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)c1 COc1ccc(cc1)[*:1] C#Cc1cccc(c1)NC(=O)C[NH+](C)Cc1c[nH]nc1[*:1]
CO/C=C/[C@@]12CC[C@@H](CC1=O)C2(C)C COC=C[*:1] CC1(C)[C@H]2CC[C@]1(C(=O)C2)[*:1]
COCCCOCc1nc2c(N)cccc2o1 COCCC[*:1] Nc1cccc2oc(CO[*:1])nc12
COCCCOCc1nc2c(N)cccc2o1 COCC[*:1] Nc1cccc2oc(COC[*:1])nc12
COCCCOCc1nc2c(N)cccc2o1 COC[*:1] Nc1cccc2oc(COCC[*:1])nc12
Cc1ccc(C[S@](=O)Cc2nc(-c3ccc(C)cc3)no2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C[S@](=O)Cc1nc(no1)[*:1]
Cc1ccc(C[S@](=O)Cc2nc(-c3ccc(C)cc3)no2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(C[S@@](=O)C[*:1])n1
O=c1[nH]c2cc3c(cc2c(=O)n1Cc1nc(-c2cccc(Cl)c2)no1)OCO3 Clc1cccc(c1)[*:1] O=c1[nH]c2cc3OCOc3cc2c(=O)n1Cc1nc(no1)[*:1]
N#CCOc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)cc1 N#CCO[*:1] O=C(/C=C/c1cnc(s1)-c1ccccc1)c1ccc(cc1)[*:1]
N#CCOc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)cc1 N#CC[*:1] O=C(/C=C/c1cnc(s1)-c1ccccc1)c1ccc(cc1)O[*:1]
N#CCOc1ccc(C(=O)/C=C/c2cnc(-c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] N#CCOc1ccc(cc1)C(=O)/C=C/c1cnc(s1)[*:1]
C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCCc2ccccc21 C1CC1[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)N1CCCc2ccccc21
Cc1cccc(CN(C)[C@H](C(N)=O)c2cccc(F)c2)c1C NC(=O)[*:1] Cc1cccc(CN(C)[C@H](c2cccc(F)c2)[*:1])c1C
Cc1cccc(CN(C)[C@H](C(N)=O)c2cccc(F)c2)c1C Fc1cccc(c1)[*:1] Cc1cccc(CN(C)[C@H](C(N)=O)[*:1])c1C
N#Cc1ccc(NC(=O)N2CCC(CS(N)(=O)=O)CC2)cc1 NS(=O)(=O)[*:1] N#Cc1ccc(cc1)NC(=O)N1CCC(CC1)C[*:1]
N#Cc1ccc(NC(=O)N2CCC(CS(N)(=O)=O)CC2)cc1 NS(=O)(=O)C[*:1] N#Cc1ccc(cc1)NC(=O)N1CCC(CC1)[*:1]
COc1ccccc1CN1C[C@H](c2[nH]cc(-c3cccc(C)c3)[nH+]2)CC1=O COc1ccccc1C[*:1] Cc1cccc(c1)-c1c[nH]c([nH+]1)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccccc1CN1C[C@H](c2[nH]cc(-c3cccc(C)c3)[nH+]2)CC1=O COc1ccccc1[*:1] Cc1cccc(c1)-c1c[nH]c([nH+]1)[C@@H]1CC(=O)N(C1)C[*:1]
COc1ccccc1CN1C[C@H](c2[nH]cc(-c3cccc(C)c3)[nH+]2)CC1=O Cc1cccc(c1)[*:1] COc1ccccc1CN1C[C@@H](CC1=O)c1[nH]cc([nH+]1)[*:1]
CC(C)[C@@H](Br)[C@@H]1CC[C@@H](C)[C@@H](C)C1 CC(C)[*:1] C[C@H]1C[C@@H](CC[C@H]1C)[C@H](Br)[*:1]
CC(C)(C)c1nnc(N[C@@H]2CCc3c(O)cccc32)s1 CC(C)(C)[*:1] Oc1cccc2c1CC[C@H]2Nc1nnc(s1)[*:1]
COc1ccc(OC)c(C[NH2+][C@@H](C(=O)[O-])C(C)C)c1 CC(C)[*:1] COc1ccc(OC)c(c1)C[NH2+][C@@H](C(=O)[O-])[*:1]
COc1ccc(OC)c(C[NH2+][C@@H](C(=O)[O-])C(C)C)c1 O=C([O-])[*:1] COc1ccc(OC)c(c1)C[NH2+][C@@H](C(C)C)[*:1]
Cn1ncc2c(NCc3ccccc3)nc(N3CCCC3)nc21 c1ccc(cc1)C[*:1] Cn1ncc2c(nc(nc21)N1CCCC1)N[*:1]
Cn1ncc2c(NCc3ccccc3)nc(N3CCCC3)nc21 c1ccc(cc1)[*:1] Cn1ncc2c(nc(nc21)N1CCCC1)NC[*:1]
Cn1ncc2c(NCc3ccccc3)nc(N3CCCC3)nc21 C1CCN(C1)[*:1] Cn1ncc2c(nc(nc21)[*:1])NCc1ccccc1
C[C@@]1(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)Oc2ccccc2NC1=O FC(F)(F)[*:1] C[C@]1(Oc2ccccc2NC1=O)C(=O)Nc1cc(ccc1Cl)[*:1]
Cc1ccc([C@](C)(O)CN[C@@H](c2cccs2)C2CC2)o1 c1csc(c1)[*:1] Cc1ccc(o1)[C@](C)(O)CN[C@@H](C1CC1)[*:1]
Cc1ccc([C@](C)(O)CN[C@@H](c2cccs2)C2CC2)o1 C1CC1[*:1] Cc1ccc(o1)[C@](C)(O)CN[C@@H](c1cccs1)[*:1]
Cc1ccc([C@](C)(O)CN[C@@H](c2cccs2)C2CC2)o1 Cc1ccc(o1)[*:1] C[C@](O)(CN[C@@H](c1cccs1)C1CC1)[*:1]
COc1ccc(F)cc1NC(=O)C(=O)NCCN1c2ccccc2C[C@@H]1C COc1ccc(F)cc1[*:1] C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N[*:1]
Cc1cc(OC(=O)c2ccc(C)[nH]c2=O)cc(C(C)C)c1 CC(C)[*:1] Cc1cc(cc(c1)[*:1])OC(=O)c1ccc(C)[nH]c1=O
COCCNC(=O)NC(=O)CNc1c(C)cc(C)cc1C COCC[*:1] Cc1cc(C)c(NCC(=O)NC(=O)N[*:1])c(C)c1
COCCNC(=O)NC(=O)CNc1c(C)cc(C)cc1C COC[*:1] Cc1cc(C)c(NCC(=O)NC(=O)NC[*:1])c(C)c1
CCCOc1ccccc1NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 CCC[*:1] O=C(Nc1ccccc1O[*:1])N1CCC(CC1)OC[C@H]1CCCCO1
CCCOc1ccccc1NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 CCCO[*:1] O=C(Nc1ccccc1[*:1])N1CCC(CC1)OC[C@H]1CCCCO1
O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]1CO O=[N+]([O-])[*:1] OC[C@H]1CCCN1c1cccc(F)c1[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccccc1Cn1cncn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccccc1Cn1cncn1)[*:1]
C[NH+](C)[C@H](CNC(=O)c1ccccc1Cn1cncn1)c1ccc(F)cc1 c1ncn(n1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccccc1C[*:1])c1ccc(F)cc1
C[NH+](C)[C@H](CNC(=O)c1ccccc1Cn1cncn1)c1ccc(F)cc1 c1ncn(C[*:1])n1 C[NH+](C)[C@H](CNC(=O)c1ccccc1[*:1])c1ccc(F)cc1
NC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] NC(=O)c1c(NC(=O)c2ccc(cc2)-c2ccccc2)sc2CN(CCc21)[*:1]
NC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)c2ccc(cc2)-c2ccccc2)sc2CN(CCc21)C[*:1]
NC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCN(Cc1ccccc1)C2 NC(=O)[*:1] O=C(Nc1sc2CN(CCc2c1[*:1])Cc1ccccc1)c1ccc(cc1)-c1ccccc1
NC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc2CN(CCc21)Cc1ccccc1
CC[C@H]1C(=O)N(C)CC[C@@H]1C(=O)OC COC(=O)[*:1] CC[C@H]1C(=O)N(C)CC[C@H]1[*:1]
COc1ccc(OC[C@H](C)NC(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)OC[C@H](C)NC(=O)[*:1]
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C)[C@H](O)C1 CCC[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)[C@@H](NC(=O)OC(C)(C)C)[*:1]
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C)[C@H](O)C1 CC(C)(C)[*:1] CCC[C@H](NC(=O)O[*:1])C(=O)N1CC[C@H](C)[C@H](O)C1
C[C@@H](N[C@H]1CCCc2ccc(Br)cc21)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](N[C@H]1CCCc2ccc(Br)cc21)C(=O)N[*:1]
C[C@@H](N[C@H]1CCCc2ccc(Br)cc21)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](N[C@H]1CCCc2ccc(Br)cc21)[*:1]
COC(=O)[C@@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccccc1 COC(=O)[*:1] O=C(COc1ccc2cc(Br)ccc2c1)N[C@@H](c1ccccc1)[*:1]
COC(=O)[C@@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](NC(=O)COc1ccc2cc(Br)ccc2c1)[*:1]
O=C(NCc1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 c1csc(c1)C[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)C(=O)N[*:1]
O=C(NCc1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 c1csc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)OC(F)(F)F
O=C(NCc1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(NCc1cccs1)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCc1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCc1cccs1)C(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(C[NH2+][C@H](C)Cn2ccnc2)c(OC)c1 c1cn(cn1)[*:1] COc1ccc(C[NH2+][C@H](C)C[*:1])c(c1)OC
COc1ccc(C[NH2+][C@H](C)Cn2ccnc2)c(OC)c1 c1cn(cn1)C[*:1] COc1ccc(C[NH2+][C@H](C)[*:1])c(c1)OC
O=C(c1cccnc1)N1CCN(C(=O)c2ccc3ccccc3c2O)CC1 c1cncc(c1)[*:1] O=C(c1ccc2ccccc2c1O)N1CCN(CC1)C(=O)[*:1]
CCCn1c(-c2cccc(C)c2)nnc1S(C)(=O)=O CS(=O)(=O)[*:1] CCCn1c(nnc1[*:1])-c1cccc(C)c1
CCCn1c(-c2cccc(C)c2)nnc1S(C)(=O)=O CCC[*:1] Cc1cccc(c1)-c1nnc(n1[*:1])S(C)(=O)=O
Cc1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)o1 Fc1cccc(c1)[*:1] Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ncc(cn2)[*:1])o1
Cc1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)o1 Cc1ccc(C[*:1])o1 O=C(N[*:1])[C@H]1CCCN(C1)c1ncc(cn1)-c1cccc(F)c1
Cc1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)o1 Cc1ccc(o1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1ncc(cn1)-c1cccc(F)c1
COc1ccc(-c2ccnc3cc(C(=O)Nc4ccccc4C)nn23)cc1OC Cc1ccccc1[*:1] COc1ccc(cc1OC)-c1ccnc2cc(nn12)C(=O)N[*:1]
CCc1nn(C)cc1C(=O)N(CC(N)=O)CC(N)=O NC(=O)C[*:1] CCc1nn(C)cc1C(=O)N(CC(N)=O)[*:1]
CCc1nn(C)cc1C(=O)N(CC(N)=O)CC(N)=O NC(=O)[*:1] CCc1nn(C)cc1C(=O)N(CC(N)=O)C[*:1]
CC(C)n1nccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] CC(C)[*:1] O=C(Nc1ccnn1[*:1])c1nn(cc1[O-])-c1ccccc1
CC(C)n1nccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] c1ccc(cc1)[*:1] CC(C)n1nccc1NC(=O)c1nn(cc1[O-])[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(c2nnc(C(C)C)o2)CC1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)N1CCC(CC1)c1nnc(o1)C(C)C)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(c2nnc(C(C)C)o2)CC1 CC(C)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CC1)c1nnc(o1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(c2nnc(C(C)C)o2)CC1 CC(C)c1nnc(o1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CC1)[*:1]
Cc1ccn2c(CN3CCN([C@H](C)C(F)(F)F)CC3)cnc2c1 FC(F)(F)[*:1] Cc1ccn2c(cnc2c1)CN1CCN(CC1)[C@H](C)[*:1]
O=C(c1n[nH]c2c1CCC2)N1CCC(Oc2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(c1n[nH]c2CCCc12)N1CCC(CC1)O[*:1]
O=C(c1n[nH]c2c1CCC2)N1CCC(Oc2ccccc2Cl)CC1 Clc1ccccc1O[*:1] O=C(c1n[nH]c2CCCc12)N1CCC(CC1)[*:1]
O=C(c1n[nH]c2c1CCC2)N1CCC(Oc2ccccc2Cl)CC1 C1Cc2[nH]nc(c2C1)[*:1] O=C(N1CCC(CC1)Oc1ccccc1Cl)[*:1]
C[C@H]([NH3+])C(=O)N1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1 C1CC1[*:1] C[C@H]([NH3+])C(=O)N1CCC(CC1)N(C(=O)OCc1ccccc1)[*:1]
C[C@H]([NH3+])C(=O)N1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1 c1ccc(cc1)[*:1] C[C@H]([NH3+])C(=O)N1CCC(CC1)N(C(=O)OC[*:1])C1CC1
C[C@H]([NH3+])C(=O)N1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1 c1ccc(cc1)C[*:1] C[C@H]([NH3+])C(=O)N1CCC(CC1)N(C(=O)O[*:1])C1CC1
CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(NC(N)=O)cc1 CC(C)[*:1] NC(=O)Nc1ccc(cc1)C(=O)N1CCCCC[C@H]1C[*:1]
CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(NC(N)=O)cc1 CC(C)C[*:1] NC(=O)Nc1ccc(cc1)C(=O)N1CCCCC[C@H]1[*:1]
CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(cc1)[*:1]
CC[C@@H](NCc1nnc(-c2ccccc2)s1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NCc1nnc(s1)-c1ccccc1)[*:1]
CC[C@@H](NCc1nnc(-c2ccccc2)s1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] CC[C@@H](NCc1nnc(s1)[*:1])c1cccc(Cl)c1
CCn1c(N2CCC[C@H](C(=O)NCc3ccco3)C2)cc(=O)n(C)c1=O c1coc(c1)C[*:1] CCn1c(cc(=O)n(C)c1=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCn1c(N2CCC[C@H](C(=O)NCc3ccco3)C2)cc(=O)n(C)c1=O c1coc(c1)[*:1] CCn1c(cc(=O)n(C)c1=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
N/C(=N/OC(=O)c1ccc(Cl)cc1Cl)[C@@H]1COc2ccccc2O1 Clc1ccc(c(Cl)c1)[*:1] N/C(=N/OC(=O)[*:1])[C@@H]1COc2ccccc2O1
NC(=O)c1ccc(C(F)(F)F)nc1OC[C@@H]1CCC[NH2+]1 NC(=O)[*:1] FC(F)(F)c1ccc(c(n1)OC[C@@H]1CCC[NH2+]1)[*:1]
NC(=O)c1ccc(C(F)(F)F)nc1OC[C@@H]1CCC[NH2+]1 FC(F)(F)[*:1] NC(=O)c1ccc(nc1OC[C@@H]1CCC[NH2+]1)[*:1]
O=C(CSc1nnnn1C[C@@H]1CCCO1)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(CSc1nnnn1C[C@@H]1CCCO1)c1cccc(c1)[*:1]
COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(N4CCC(C)CC4)ncn3)n(C)n2)c1 COc1ccc(OC)c(c1)[*:1] CC1CCN(CC1)c1cc(ncn1)NC(=O)c1cc(nn1C)[*:1]
COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(N4CCC(C)CC4)ncn3)n(C)n2)c1 CC1CCN(CC1)[*:1] COc1ccc(OC)c(c1)-c1cc(C(=O)Nc2cc(ncn2)[*:1])n(C)n1
Cc1cccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c1C(=O)[O-] O=C([O-])[*:1] Cc1cccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c1[*:1]
O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1cccs1 c1ccc(cc1)[*:1] O=C(NCCn1ncc2c(=O)n(cnc21)C[*:1])c1cccs1
O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1cccs1 O=C(N[*:1])c1cccs1 O=c1c2cnn(CC[*:1])c2ncn1Cc1ccccc1
O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1cccs1 O=C(NC[*:1])c1cccs1 O=c1c2cnn(C[*:1])c2ncn1Cc1ccccc1
O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1cccs1 c1ccc(cc1)C[*:1] O=C(NCCn1ncc2c(=O)n(cnc21)[*:1])c1cccs1
O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1cccs1 c1csc(c1)[*:1] O=C(NCCn1ncc2c(=O)n(cnc21)Cc1ccccc1)[*:1]
CN(C1CCN(C(=O)Nc2cccc3cnccc23)CC1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(Nc1cccc2cnccc12)N1CCC(CC1)[*:1]
COc1c(C)cnc(CN(C)C(=O)c2cc(C(C)C)nc3ccccc23)c1C CC(C)[*:1] COc1c(C)cnc(CN(C)C(=O)c2cc(nc3ccccc23)[*:1])c1C
O=C(NC(=S)Nc1cccc(CO)c1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NC(=S)Nc1cccc(c1)CO)c1ccccc1[*:1]
Cc1[nH]ncc1CCCNC(=O)NCc1ccsc1 Cc1[nH]ncc1[*:1] O=C(NCCC[*:1])NCc1ccsc1
Cc1[nH]ncc1CCCNC(=O)NCc1ccsc1 c1cc(cs1)C[*:1] Cc1[nH]ncc1CCCNC(=O)N[*:1]
Cc1[nH]ncc1CCCNC(=O)NCc1ccsc1 c1cc(cs1)[*:1] Cc1[nH]ncc1CCCNC(=O)NC[*:1]
Cc1cccc(C)c1-n1nnnc1C1(N(C)O)CCCCC1 CN(O)[*:1] Cc1cccc(C)c1-n1nnnc1C1(CCCCC1)[*:1]
COC(=O)C[C@](C)(N)c1ccccc1Br COC(=O)C[*:1] C[C@](N)(c1ccccc1Br)[*:1]
COC(=O)C[C@](C)(N)c1ccccc1Br COC(=O)[*:1] C[C@](N)(C[*:1])c1ccccc1Br
O=C(Nc1cccc(Cl)c1-n1cccn1)[C@@H]1COCCO1 c1cnn(c1)[*:1] O=C(Nc1cccc(Cl)c1[*:1])[C@@H]1COCCO1
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1 CC(C)(C)[*:1] C[C@H](N[C@@H]1CCN(C1)C(=O)O[*:1])c1nccs1
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1 c1csc(n1)[*:1] C[C@H](N[C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3nccc(C)n3)C2)c1 Cc1ccnc(n1)[*:1] COc1ccc(OC)c(c1)CNC(=O)[C@H]1CCCN(C1)[*:1]
COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccco1 C[C@@H](c1ccco1)[*:1] COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[*:1]
COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccco1 c1coc(c1)[*:1] COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)[*:1]
O=C(c1ccccc1)c1c([O-])nc(-c2ccccc2)n(-c2ccccc2)c1=O O=C(c1ccccc1)[*:1] O=c1c(c([O-])nc(-c2ccccc2)n1-c1ccccc1)[*:1]
O=C(c1ccccc1)c1c([O-])nc(-c2ccccc2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(c1c([O-])nc(-c2ccccc2)n(-c2ccccc2)c1=O)[*:1]
O=C(c1ccccc1)c1c([O-])nc(-c2ccccc2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(c1ccccc1)c1c([O-])nc(n(-c2ccccc2)c1=O)[*:1]
O=C(c1ccccc1)c1c([O-])nc(-c2ccccc2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(c1ccccc1)c1c([O-])nc(-c2ccccc2)n(c1=O)[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)c1occc1Br Brc1ccoc1[*:1] CN(C)C(=O)Cc1ccccc1NC(=O)[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)c1occc1Br CN(C)C(=O)[*:1] O=C(Nc1ccccc1C[*:1])c1occc1Br
CN(C)C(=O)Cc1ccccc1NC(=O)c1occc1Br CN(C)C(=O)C[*:1] O=C(Nc1ccccc1[*:1])c1occc1Br
COc1ccc(NC(=O)C[C@H](O)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)C[C@H](O)[*:1])c(C)c1
O=C(Nc1ccnn1C1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 C1CCC(C1)[*:1] O=C(Nc1ccnn1[*:1])C1CCN(CC1)C(=O)Nc1ccccc1
O=C(Nc1ccnn1C1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1C1CCCC1)C1CCN(CC1)C(=O)N[*:1]
CCC(=O)c1ccccc1OS(=O)(=O)c1ccccc1F CCC(=O)[*:1] O=S(=O)(Oc1ccccc1[*:1])c1ccccc1F
CCC(=O)c1ccccc1OS(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] CCC(=O)c1ccccc1OS(=O)(=O)[*:1]
CC(C)C[NH+]1CCn2nc(CNC(=O)Cc3csc4[n+]3CCN4)cc2C1 CC(C)[*:1] O=C(Cc1csc2NCC[n+]12)NCc1cc2C[NH+](CCn2n1)C[*:1]
CC(C)C[NH+]1CCn2nc(CNC(=O)Cc3csc4[n+]3CCN4)cc2C1 c1sc2NCC[n+]2c1[*:1] CC(C)C[NH+]1CCn2nc(cc2C1)CNC(=O)C[*:1]
CC(C)C[NH+]1CCn2nc(CNC(=O)Cc3csc4[n+]3CCN4)cc2C1 CC(C)C[*:1] O=C(Cc1csc2NCC[n+]12)NCc1cc2C[NH+](CCn2n1)[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)[C@H]1CC(=O)Nc2ccccc21 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)[C@H]1CC(=O)Nc2ccccc21
C=CCN(C(=O)c1ccc(Br)cc1N)C1CCCC1 C1CCC(C1)[*:1] C=CCN(C(=O)c1ccc(Br)cc1N)[*:1]
C=CCN(C(=O)c1ccc(Br)cc1N)C1CCCC1 C=CC[*:1] Nc1cc(Br)ccc1C(=O)N(C1CCCC1)[*:1]
O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1F)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 Fc1ccccc1[*:1] O=C1[C@@H]2[C@H](C(=O)N1[*:1])[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
Cn1/c(=N/C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)sc2cc3c(cc21)OCO3 O=[N+]([O-])[*:1] Cn1/c(=N/C(=O)/C=C\c2ccc(cc2)[*:1])sc2cc3OCOc3cc21
Cn1/c(=N/C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)sc2cc3c(cc21)OCO3 O=[N+]([O-])c1ccc(cc1)[*:1] Cn1/c(=N/C(=O)C=C[*:1])sc2cc3OCOc3cc21
O=C(NC[C@@]1(O)CCSC1)c1ccc(COc2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(CO[*:1])o1
O=C(NC[C@@]1(O)CCSC1)c1ccc(COc2ccc(F)cc2)o1 Fc1ccc(cc1)O[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(C[*:1])o1
CCCC(=O)N1CCC[C@@H](C(=O)NC(C)(C)c2nc(C)c(C)s2)C1 CCC[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCC(=O)N1CCC[C@@H](C(=O)NC(C)(C)c2nc(C)c(C)s2)C1 Cc1nc(sc1C)[*:1] CCCC(=O)N1CCC[C@H](C1)C(=O)NC(C)(C)[*:1]
CN(C)[C@@H](C(=O)N1CC(c2cccnc2)C1)c1ccccc1F Fc1ccccc1[*:1] CN(C)[C@@H](C(=O)N1CC(C1)c1cccnc1)[*:1]
CN(C)[C@@H](C(=O)N1CC(c2cccnc2)C1)c1ccccc1F CN(C)[*:1] O=C([C@@H](c1ccccc1F)[*:1])N1CC(C1)c1cccnc1
CN(C)[C@@H](C(=O)N1CC(c2cccnc2)C1)c1ccccc1F c1cncc(c1)[*:1] CN(C)[C@@H](C(=O)N1CC(C1)[*:1])c1ccccc1F
COc1ccc(-c2nc3c4cnn(-c5ccc(C)cc5C)c4ncn3n2)c(O)c1 COc1ccc(c(O)c1)[*:1] Cc1ccc(c(C)c1)-n1ncc2c1ncn1nc(nc21)[*:1]
COc1ccc(-c2nc3c4cnn(-c5ccc(C)cc5C)c4ncn3n2)c(O)c1 Cc1ccc(c(C)c1)[*:1] COc1ccc(-c2nc3c4cnn(c4ncn3n2)[*:1])c(O)c1
C[C@@H](c1nnc(SCC(=O)Nc2sccc2C#N)n1-c1ccc(Cl)cc1)[NH+](C)C Clc1ccc(cc1)[*:1] C[C@@H](c1nnc(SCC(=O)Nc2sccc2C#N)n1[*:1])[NH+](C)C
C[C@@H](c1nnc(SCC(=O)Nc2sccc2C#N)n1-c1ccc(Cl)cc1)[NH+](C)C N#Cc1ccsc1[*:1] C[C@@H](c1nnc(SCC(=O)N[*:1])n1-c1ccc(Cl)cc1)[NH+](C)C
Cc1cc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)on1 Cc1cc(on1)[*:1] O=C(Nc1cc(F)ccc1OCC(F)(F)F)[*:1]
Cc1cc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)on1 FC(F)(F)C[*:1] Cc1cc(on1)C(=O)Nc1cc(F)ccc1O[*:1]
Cc1cc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)on1 FC(F)(F)[*:1] Cc1cc(on1)C(=O)Nc1cc(F)ccc1OC[*:1]
Cc1cc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)on1 FC(F)(F)CO[*:1] Cc1cc(on1)C(=O)Nc1cc(F)ccc1[*:1]
COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1C CC(C)O[*:1] COc1cc(C)c(cc1C)S(=O)(=O)N1CCN(CC1)c1cc(nc(C)n1)[*:1]
COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1C CC(C)[*:1] COc1cc(C)c(cc1C)S(=O)(=O)N1CCN(CC1)c1cc(nc(C)n1)O[*:1]
COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1C COc1cc(C)c(cc1C)[*:1] Cc1nc(cc(n1)N1CCN(CC1)S(=O)(=O)[*:1])OC(C)C
O=C(NCC(F)(F)F)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 FC(F)(F)C[*:1] O=C(N[*:1])[C@@H]1CCC(=O)N(CCCc2ccccc2)C1
O=C(NCC(F)(F)F)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 O=C(NCC(F)(F)F)[*:1] O=C1CC[C@H](CN1CCCc1ccccc1)[*:1]
O=C(NCC(F)(F)F)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(NCC(F)(F)F)[C@@H]1CCC(=O)N(CC[*:1])C1
O=C(NCC(F)(F)F)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(NCC(F)(F)F)[C@@H]1CCC(=O)N(C1)C[*:1]
O=C(NCC(F)(F)F)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 FC(F)(F)[*:1] O=C(NC[*:1])[C@@H]1CCC(=O)N(CCCc2ccccc2)C1
O=C(NCC(F)(F)F)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCC(F)(F)F)[C@@H]1CCC(=O)N(CCC[*:1])C1
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(Cc2ncc(o2)-c2ccccc2)C1=O)[*:1]
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(Cc2ncc(o2)[*:1])C1=O)c1ccc(cc1)[N+](=O)[O-]
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O O=[N+]([O-])[*:1] C[C@@]1(NC(=O)N(Cc2ncc(o2)-c2ccccc2)C1=O)c1ccc(cc1)[*:1]
C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(CC(=O)N2CCOCC2)C1=O c1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)[*:1])c2ccccc2N(CC(=O)N2CCOCC2)C1=O
C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(CC(=O)N2CCOCC2)C1=O O=C(N1CCOCC1)[*:1] C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(C[*:1])C1=O
C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(CC(=O)N2CCOCC2)C1=O O=C(C[*:1])N1CCOCC1 C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(C1=O)[*:1]
Cc1cc(N2CCN(C(=O)NCCc3ccccc3F)CC2)nc(C)[nH+]1 Fc1ccccc1C[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)NC[*:1]
Cc1cc(N2CCN(C(=O)NCCc3ccccc3F)CC2)nc(C)[nH+]1 Fc1ccccc1[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)NCC[*:1]
C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)c1cccc(c1)N1CCCC1=O)c1cccc(c1)[*:1]
C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1cccc(S(N)(=O)=O)c1 O=C1CCCN1[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])c1cccc(c1)S(N)(=O)=O
Cc1csc(/C(C#N)=N/OC(=O)c2ccccc2F)n1 Cc1csc(n1)[*:1] N#CC(=NOC(=O)c1ccccc1F)[*:1]
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccn(Cc2ccccc2)n1 O=[N+]([O-])[*:1] O=C(Cc1ccccc1[*:1])Nc1ccn(Cc2ccccc2)n1
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccn(n1)[*:1]
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccn(C[*:1])n1
CCNC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)C(=O)[*:1] CCNC(=O)Nc1cccc(c1)NC(=O)c1ccccc1[*:1]
CCNC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)c1 CCNC(=O)N[*:1] Cc1ccc(cc1C)C(=O)c1ccccc1C(=O)Nc1cccc(c1)[*:1]
CCNC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] CCNC(=O)Nc1cccc(c1)NC(=O)c1ccccc1C(=O)[*:1]
C[C@H]1CC=CC[C@@H]1COC(=O)Cn1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] C[C@H]1CC=CC[C@@H]1COC(=O)Cn1nc(ccc1=O)[*:1]
O=C(Cn1cnc2c(sc3cccc(F)c32)c1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1cnc2c(sc3cccc(F)c32)c1=O)NC[*:1]
O=C(Cn1cnc2c(sc3cccc(F)c32)c1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(Cn1cnc2c(sc3cccc(F)c32)c1=O)N[*:1]
C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccccn2)CC1 O=C(N1CCOCC1)[*:1] C[C@H](N1CCN(CC1)C(=O)c1ccccn1)[*:1]
C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccccn2)CC1 c1ccc(nc1)[*:1] C[C@H](C(=O)N1CCOCC1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)NC(c2cccs2)c2cccs2)nn1 c1csc(c1)[*:1] COc1ccc(nn1)C(=O)NC(c1cccs1)[*:1]
O=C(c1ccc2[nH]cnc2c1)N1CCN(C[C@@H](O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1ccc2[nH]cnc2c1)N1CCN(CC1)C[C@@H](O)[*:1]
O=C(c1ccc2[nH]cnc2c1)N1CCN(C[C@@H](O)c2cccs2)CC1 O[C@H](C[*:1])c1cccs1 O=C(c1ccc2[nH]cnc2c1)N1CCN(CC1)[*:1]
CCNC(=O)c1ccc(C(=O)Cl)cc1 O=C(Cl)[*:1] CCNC(=O)c1ccc(cc1)[*:1]
COC(C)(C)CNC(=O)NC[C@@H]1Cc2ccccc2O1 COC(C)(C)C[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)N[*:1]
COC(C)(C)CNC(=O)NC[C@@H]1Cc2ccccc2O1 COC(C)(C)[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)NC[*:1]
CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3C(C)(C)C)cc1 CC(C)(C)[*:1] CSc1ccc(cc1)[C@H]1C2C(=O)CCCC=2Nc2c1c(C)nn2[*:1]
CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3C(C)(C)C)cc1 CSc1ccc(cc1)[*:1] Cc1nn(c2NC3CCCC(=O)C=3[C@@H](c12)[*:1])C(C)(C)C
C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N[C@H](c4ccccc4)c4ccccn4)c23)C1 c1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(CN3CCOCC3)nc(N[C@H](c3ccccn3)[*:1])c21
C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N[C@H](c4ccccc4)c4ccccn4)c23)C1 c1ccc(nc1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(CN3CCOCC3)nc(N[C@H](c3ccccc3)[*:1])c21
C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N[C@H](c4ccccc4)c4ccccn4)c23)C1 C1CN(CCO1)[*:1] C[C@@H]1CCc2c(C1)sc1nc(C[*:1])nc(N[C@H](c3ccccc3)c3ccccn3)c21
C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N[C@H](c4ccccc4)c4ccccn4)c23)C1 C1CN(CCO1)C[*:1] C[C@@H]1CCc2c(C1)sc1nc(nc(N[C@H](c3ccccc3)c3ccccn3)c21)[*:1]
O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1cnccn1 c1cnc(cn1)[*:1] O=C(c1cccs1)N1CCc2ccc(cc21)NC(=O)[*:1]
O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1cnccn1 c1csc(c1)[*:1] O=C(Nc1ccc2CCN(C(=O)[*:1])c2c1)c1cnccn1
C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1SCCCOC COCCC[*:1] C[NH2+][C@H]1c2cc(ccc2C[C@H]1S[*:1])OC
C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1SCCCOC COC[*:1] C[NH2+][C@H]1c2cc(ccc2C[C@H]1SCC[*:1])OC
C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1SCCCOC COCCCS[*:1] C[NH2+][C@H]1c2cc(ccc2C[C@@H]1[*:1])OC
C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1SCCCOC COCC[*:1] C[NH2+][C@H]1c2cc(ccc2C[C@H]1SC[*:1])OC
C/C(=C/C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)c1ccc(F)cc1F CC(C)(C)[*:1] C/C(=C/C(=O)N[C@@H](C)c1nc(no1)[*:1])c1ccc(F)cc1F
C/C(=C/C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(=CC(=O)N[C@@H](C)c1nc(no1)C(C)(C)C)[*:1]
Cc1ccc(NC(=O)C[NH+](C)CCc2nc3ccccc3c(=O)[nH]2)cc1 Cc1ccc(cc1)[*:1] C[NH+](CCc1nc2ccccc2c(=O)[nH]1)CC(=O)N[*:1]
Cc1cc(NC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c2ncccc2c1 CS(=O)(=O)[*:1] Cc1cc(NC(=O)N[C@H](C[*:1])c2ccccc2)c2ncccc2c1
Cc1cc(NC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c2ncccc2c1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)N[C@H](CS(C)(=O)=O)[*:1])c2ncccc2c1
Cc1cc(NC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c2ncccc2c1 CS(=O)(=O)C[*:1] Cc1cc(NC(=O)N[C@H](c2ccccc2)[*:1])c2ncccc2c1
Cc1n[nH]c2ncc(C(=O)Nc3ccnn3C3CCCCC3)cc12 C1CCC(CC1)[*:1] Cc1n[nH]c2ncc(cc12)C(=O)Nc1ccnn1[*:1]
CO[C@H](C)[C@@H]([NH3+])Cc1cc(F)cc(Br)c1 CO[C@H](C)[*:1] [NH3+][C@@H](Cc1cc(F)cc(Br)c1)[*:1]
COC(=O)[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1C O=[N+]([O-])[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)c1cc(Br)ccc1[*:1]
COC(=O)[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@@H]1[*:1])c1cc(Br)ccc1[N+](=O)[O-]
O=C(NC[C@H]1CCCO1)C1(n2cnnn2)CCCCC1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])C1(CCCCC1)n1cnnn1
O=C(NC[C@H]1CCCO1)C1(n2cnnn2)CCCCC1 C1CO[C@H](C1)C[*:1] O=C(N[*:1])C1(CCCCC1)n1cnnn1
O=C(NC[C@H]1CCCO1)C1(n2cnnn2)CCCCC1 c1nnnn1[*:1] O=C(NC[C@H]1CCCO1)C1(CCCCC1)[*:1]
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(NC[C@H]1CCN(C1)c1ccccc1)[*:1]
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)NC[C@H]1CCN(C1)[*:1]
O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc2c(c1)CCCC2 c1nnnn1[*:1] O=S(=O)(Oc1cccc(c1)[*:1])c1ccc2CCCCc2c1
CC(C)CN1C(=O)NC(=N)[C@]12CSCC(C)(C)C2 CC(C)[*:1] CC1(C)CSC[C@@]2(C1)C(=N)NC(=O)N2C[*:1]
CC(C)CN1C(=O)NC(=N)[C@]12CSCC(C)(C)C2 CC(C)C[*:1] CC1(C)CSC[C@@]2(C1)C(=N)NC(=O)N2[*:1]
CNC(=O)[C@H](C)CN(C)Cc1cnc(-c2ccsc2)s1 CNC(=O)[*:1] C[C@H](CN(C)Cc1cnc(s1)-c1ccsc1)[*:1]
CNC(=O)[C@H](C)CN(C)Cc1cnc(-c2ccsc2)s1 CNC(=O)[C@H](C)[*:1] CN(Cc1cnc(s1)-c1ccsc1)C[*:1]
CNC(=O)[C@H](C)CN(C)Cc1cnc(-c2ccsc2)s1 c1cc(cs1)[*:1] CNC(=O)[C@H](C)CN(C)Cc1cnc(s1)[*:1]
CCOCC1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 c1ncn(n1)[*:1] CCOCC1CCN(CC1)C(=O)C(=O)Nc1ccccc1[*:1]
CCOCC1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 CCO[*:1] O=C(Nc1ccccc1-n1cncn1)C(=O)N1CCC(CC1)C[*:1]
CCOCC1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 CCOC[*:1] O=C(Nc1ccccc1-n1cncn1)C(=O)N1CCC(CC1)[*:1]
O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CSc1nnnn1-c1cccc2ccccc12)N[*:1]
CC(C)c1ocnc1CS(=O)(=O)c1nnc(NC2CC2)s1 CC(C)[*:1] O=S(=O)(Cc1ncoc1[*:1])c1nnc(NC2CC2)s1
CC(C)c1ocnc1CS(=O)(=O)c1nnc(NC2CC2)s1 C1CC1N[*:1] CC(C)c1ocnc1CS(=O)(=O)c1nnc(s1)[*:1]
CC(C)c1ocnc1CS(=O)(=O)c1nnc(NC2CC2)s1 C1CC1[*:1] CC(C)c1ocnc1CS(=O)(=O)c1nnc(N[*:1])s1
O=C(CN[C@H](c1ccccc1)c1cccc(F)c1)NCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(CN[C@H](c1ccccc1)c1cccc(F)c1)NC[*:1]
O=C(CN[C@H](c1ccccc1)c1cccc(F)c1)NCC(=O)N1CCCC1 Fc1cccc(c1)[*:1] O=C(CN[C@H](c1ccccc1)[*:1])NCC(=O)N1CCCC1
O=C(CN[C@H](c1ccccc1)c1cccc(F)c1)NCC(=O)N1CCCC1 c1ccc(cc1)[*:1] O=C(CN[C@H](c1cccc(F)c1)[*:1])NCC(=O)N1CCCC1
O=C(CN[C@H](c1ccccc1)c1cccc(F)c1)NCC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(CN[C@H](c1ccccc1)c1cccc(F)c1)N[*:1]
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2 C1CN(CCO1)C[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1cccs1)c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2 c1csc(c1)[*:1] O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1[*:1])c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2 C1CN(CCO1)[*:1] O=C(C1=C([O-])C(=O)N(CCC[*:1])[C@@H]1c1cccs1)c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2 C1CN(CCO1)CC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccs1)c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccs2)N1CCCN1CCOCC1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2 C(CN1CCOCC1)C[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1cccs1)[*:1])c1ccc2OCCOc2c1
Cc1cc(O)ccc1NC(=O)Cc1cccc(OCc2cccnc2)c1 Cc1cc(O)ccc1[*:1] O=C(Cc1cccc(c1)OCc1cccnc1)N[*:1]
Cc1cc(O)ccc1NC(=O)Cc1cccc(OCc2cccnc2)c1 c1cncc(c1)CO[*:1] Cc1cc(O)ccc1NC(=O)Cc1cccc(c1)[*:1]
Cc1cc(O)ccc1NC(=O)Cc1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] Cc1cc(O)ccc1NC(=O)Cc1cccc(c1)O[*:1]
Cc1cc(O)ccc1NC(=O)Cc1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] Cc1cc(O)ccc1NC(=O)Cc1cccc(c1)OC[*:1]
C[C@H]1Oc2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2NC1=O c1csc(c1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)c1cc(on1)[*:1]
CCOc1ccc2c(c1)C[C@H](C(=O)N1C[C@@H](C)OCC1(C)C)CO2 CCO[*:1] C[C@@H]1CN(C(=O)[C@@H]2COc3ccc(cc3C2)[*:1])C(C)(C)CO1
Cc1cccc(-n2c(SCC(=O)c3ccc4c(c3)OCCCO4)nnc2N2CCOCC2)c1 c1cc2OCCCOc2cc1[*:1] Cc1cccc(c1)-n1c(nnc1N1CCOCC1)SCC(=O)[*:1]
Cc1cccc(-n2c(SCC(=O)c3ccc4c(c3)OCCCO4)nnc2N2CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nnc(N2CCOCC2)n1[*:1])c1ccc2OCCCOc2c1
Cc1cccc(-n2c(SCC(=O)c3ccc4c(c3)OCCCO4)nnc2N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)-n1c(nnc1[*:1])SCC(=O)c1ccc2OCCCOc2c1
C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)OC(=O)c1cccc(N2CCCS2(=O)=O)c1 O=S1(=O)CCCN1[*:1] C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)OC(=O)c1cccc(c1)[*:1]
CC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC/C(=C\C(=O)[O-])C(=O)[O-] O=C([O-])[*:1] CC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(=C[*:1])C(=O)[O-]
CC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC/C(=C\C(=O)[O-])C(=O)[O-] O=C([O-])[*:1] CC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(=CC(=O)[O-])[*:1]
C[C@H](C(=O)[O-])c1ccc(C(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] C[C@H](C(=O)[O-])c1ccc(s1)C(=O)[*:1]
C[C@H](C(=O)[O-])c1ccc(C(=O)c2ccccc2)s1 O=C([O-])[*:1] C[C@H](c1ccc(s1)C(=O)c1ccccc1)[*:1]
O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1-n1cnnn1 c1nnnn1[*:1] O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1[*:1]
COc1ccc2c(c1)OC[C@@H](C(=O)NCCSc1nccn1C)C2 Cn1ccnc1SC[*:1] COc1ccc2C[C@@H](COc2c1)C(=O)NC[*:1]
COc1ccc2c(c1)OC[C@@H](C(=O)NCCSc1nccn1C)C2 Cn1ccnc1[*:1] COc1ccc2C[C@@H](COc2c1)C(=O)NCCS[*:1]
COc1ccc2c(c1)OC[C@@H](C(=O)NCCSc1nccn1C)C2 Cn1ccnc1S[*:1] COc1ccc2C[C@@H](COc2c1)C(=O)NCC[*:1]
C[C@H](NC(=O)Cc1cccc(F)c1F)C1(N2CCOCC2)CCCC1 Fc1cccc(c1F)[*:1] C[C@H](NC(=O)C[*:1])C1(CCCC1)N1CCOCC1
C[C@H](NC(=O)Cc1cccc(F)c1F)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] C[C@H](NC(=O)Cc1cccc(F)c1F)C1(CCCC1)[*:1]
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 C=CC[*:1] O=C(Nc1nc2ccccc2[nH]1)c1cccc(c1)S(=O)(=O)N(c1ccccc1Cl)[*:1]
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 c1ccc2[nH]c(nc2c1)[*:1] C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 Clc1ccccc1[*:1] C=CCN(S(=O)(=O)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1)[*:1]
Cc1cc(-c2cc(F)cc3c2O[C@H](CNC(=O)c2ccco2)C3)ccc1F c1coc(c1)[*:1] Cc1cc(ccc1F)-c1cc(F)cc2C[C@@H](CNC(=O)[*:1])Oc21
Cc1cc(-c2cc(F)cc3c2O[C@H](CNC(=O)c2ccco2)C3)ccc1F Cc1cc(ccc1F)[*:1] O=C(NC[C@@H]1Cc2cc(F)cc(c2O1)[*:1])c1ccco1
Cc1cc(-c2cc(F)cc3c2O[C@H](CNC(=O)c2ccco2)C3)ccc1F O=C(N[*:1])c1ccco1 Cc1cc(ccc1F)-c1cc(F)cc2C[C@@H](C[*:1])Oc21
Cc1cc(-c2cc(F)cc3c2O[C@H](CNC(=O)c2ccco2)C3)ccc1F O=C(NC[*:1])c1ccco1 Cc1cc(ccc1F)-c1cc(F)cc2C[C@@H](Oc21)[*:1]
Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccccc1)CC(O)=N2 c1ccc(cc1)[*:1] Cc1nn(-c2ccc3nnc(C)n3n2)c2N=C(O)C[C@H](c12)[*:1]
C[NH2+]C1CCC(N(C)C(=O)c2sccc2Br)CC1 Brc1ccsc1[*:1] C[NH2+]C1CCC(CC1)N(C)C(=O)[*:1]
c1cc(-c2noc(CCN3CCOCC3)n2)c2cc[nH]c2c1 C1CN(CCO1)C[*:1] c1cc(-c2noc(C[*:1])n2)c2cc[nH]c2c1
c1cc(-c2noc(CCN3CCOCC3)n2)c2cc[nH]c2c1 C1CN(CCO1)[*:1] c1cc(-c2noc(CC[*:1])n2)c2cc[nH]c2c1
CC(C)c1nnnn1CC(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)c1nnnn1CC(=O)Nc1cccc(c1)[*:1]
CC(C)c1nnnn1CC(=O)Nc1cccc([N+](=O)[O-])c1 CC(C)[*:1] O=C(Cn1nnnc1[*:1])Nc1cccc(c1)[N+](=O)[O-]
Cc1cc(C(C)(C)C)ccc1OC(=O)CN(C)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] Cc1cc(ccc1OC(=O)C[*:1])C(C)(C)C
Cc1cc(C(C)(C)C)ccc1OC(=O)CN(C)S(C)(=O)=O CN(C[*:1])S(C)(=O)=O Cc1cc(ccc1OC(=O)[*:1])C(C)(C)C
Cc1cc(C(C)(C)C)ccc1OC(=O)CN(C)S(C)(=O)=O CC(C)(C)[*:1] Cc1cc(ccc1OC(=O)CN(C)S(C)(=O)=O)[*:1]
CCC(CC)N(C)C(=O)[C@@H](C[NH3+])CC(C)C CC(C)C[*:1] CCC(CC)N(C)C(=O)[C@@H](C[NH3+])[*:1]
CCC(CC)N(C)C(=O)[C@@H](C[NH3+])CC(C)C CC(C)[*:1] CCC(CC)N(C)C(=O)[C@@H](C[NH3+])C[*:1]
CCC(CC)N(C)C(=O)[C@@H](C[NH3+])CC(C)C CCC(CC)[*:1] CC(C)C[C@H](C[NH3+])C(=O)N(C)[*:1]
O=C(Cc1ccccn1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(Cc1ccccn1)N1CCN(CC1)[*:1]
O=C(Cc1ccccn1)N1CCN(c2ncccn2)CC1 c1ccc(nc1)[*:1] O=C(C[*:1])N1CCN(CC1)c1ncccn1
O=C(Cc1ccccn1)N1CCN(c2ncccn2)CC1 c1ccc(C[*:1])nc1 O=C(N1CCN(CC1)c1ncccn1)[*:1]
Cc1cn(C)nc1C(=O)N(CCCN1CCOCC1)c1nc2ccccc2s1 Cc1cn(C)nc1[*:1] O=C(N(CCCN1CCOCC1)c1nc2ccccc2s1)[*:1]
Cc1cn(C)nc1C(=O)N(CCCN1CCOCC1)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] Cc1cn(C)nc1C(=O)N(CCCN1CCOCC1)[*:1]
Cc1cn(C)nc1C(=O)N(CCCN1CCOCC1)c1nc2ccccc2s1 C(CN1CCOCC1)C[*:1] Cc1cn(C)nc1C(=O)N(c1nc2ccccc2s1)[*:1]
Cc1cn(C)nc1C(=O)N(CCCN1CCOCC1)c1nc2ccccc2s1 C1CN(CCO1)[*:1] Cc1cn(C)nc1C(=O)N(CCC[*:1])c1nc2ccccc2s1
Cc1cn(C)nc1C(=O)N(CCCN1CCOCC1)c1nc2ccccc2s1 C1CN(CCO1)CC[*:1] Cc1cn(C)nc1C(=O)N(C[*:1])c1nc2ccccc2s1
Cc1cn(C)nc1C(=O)N(CCCN1CCOCC1)c1nc2ccccc2s1 C1CN(CCO1)C[*:1] Cc1cn(C)nc1C(=O)N(CC[*:1])c1nc2ccccc2s1
CCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 CCC[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc(Br)cc1
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(Br)cc1)NC3=O Brc1ccc(cc1)[*:1] Cc1cc2oc3C(=O)N[C@H](c3c(=O)c2cc1Cl)[*:1]
O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccn1 c1ccc(nc1)[*:1] O=C1CS[C@@H](c2cccc(c2)[N+](=O)[O-])N1[*:1]
O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccn1 O=[N+]([O-])[*:1] O=C1CS[C@@H](c2cccc(c2)[*:1])N1c1ccccn1
COc1ccccc1N1C(=O)C[C@@]1(C#N)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccccc1N1C(=O)C[C@@]1(C#N)c1ccc(cc1)O[*:1]
COc1ccccc1N1C(=O)C[C@@]1(C#N)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccccc1N1C(=O)C[C@@]1(C#N)c1ccc(cc1)OC[*:1]
COc1ccccc1N1C(=O)C[C@@]1(C#N)c1ccc(OCc2ccccc2)cc1 COc1ccccc1[*:1] N#C[C@]1(CC(=O)N1[*:1])c1ccc(cc1)OCc1ccccc1
COc1ccccc1N1C(=O)C[C@@]1(C#N)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] COc1ccccc1N1C(=O)C[C@@]1(C#N)c1ccc(cc1)[*:1]
CC(C)c1noc([C@@H](C)SCCOc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)c1noc(n1)[C@@H](C)SCCO[*:1]
CC(C)c1noc([C@@H](C)SCCOc2ccc(F)cc2)n1 CC(C)[*:1] C[C@@H](SCCOc1ccc(F)cc1)c1nc(no1)[*:1]
COc1cc(C(=O)Nc2cccc3cccnc23)ccc1OCCC(C)C CC(C)[*:1] COc1cc(ccc1OCC[*:1])C(=O)Nc1cccc2cccnc12
COc1cc(C(=O)Nc2cccc3cccnc23)ccc1OCCC(C)C CC(C)C[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1cccc2cccnc12
COc1cc(C(=O)Nc2cccc3cccnc23)ccc1OCCC(C)C CC(C)CCO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1cccc2cccnc12
COc1cc(C(=O)Nc2cccc3cccnc23)ccc1OCCC(C)C CC(C)CC[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1cccc2cccnc12
CCN(C(=O)c1[nH]nc(C2CC2)c1Cl)[C@H]1CC([O-])=NC1=O C1CC1[*:1] CCN(C(=O)c1[nH]nc(c1Cl)[*:1])[C@H]1CC([O-])=NC1=O
Nc1nc2cc(Br)ccc2cc1-c1ccccc1 c1ccc(cc1)[*:1] Nc1nc2cc(Br)ccc2cc1[*:1]
CCCc1nc(COc2ccc3c(c2)OCO3)cs1 CCC[*:1] c1cc2OCOc2cc1OCc1csc(n1)[*:1]
CCOC(=O)c1cnc(SCC(=O)NNC(C)=O)nc1N CC(=O)NNC(=O)[*:1] CCOC(=O)c1cnc(nc1N)SC[*:1]
CCOC(=O)c1cnc(SCC(=O)NNC(C)=O)nc1N CCOC(=O)[*:1] CC(=O)NNC(=O)CSc1ncc(c(N)n1)[*:1]
C[C@@H]1CCC[C@@H](OCC(=O)OCc2nnc(-c3ccccc3)n2C)C1 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@H](C1)OCC(=O)OCc1nnc(n1C)[*:1]
O=C(NCC1(O)CCOCC1)c1cc2cccc(F)c2o1 OC1(CCOCC1)[*:1] O=C(NC[*:1])c1cc2cccc(F)c2o1
COc1ccc([C@H]([NH3+])CO)cc1OCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1OC[*:1])[C@H]([NH3+])CO
COc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cn1 FC(F)O[*:1] COc1ccc(cn1)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cn1 FC(F)[*:1] COc1ccc(cn1)NC(=O)c1ccc(cc1)O[*:1]
C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)CC2CCCC2)C[C@H](C)O1 C1CCC(C1)C[*:1] C[C@H]1CN(C[C@H](C)O1)c1ncnc2c1cnn2CCNC(=O)[*:1]
C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)CC2CCCC2)C[C@H](C)O1 O=C(CC1CCCC1)N[*:1] C[C@H]1CN(C[C@H](C)O1)c1ncnc2c1cnn2CC[*:1]
C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)CC2CCCC2)C[C@H](C)O1 C1CCC(C1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ncnc2c1cnn2CCNC(=O)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2c1C[C@H](CC(C)(C)C)CC2 CC(C)(C)C[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2CC[C@@H](Cc12)[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2c1C[C@H](CC(C)(C)C)CC2 c1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=N/NC(=O)c1n[nH]c2CC[C@H](Cc12)CC(C)(C)C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2c1C[C@H](CC(C)(C)C)CC2 CC(C)(C)[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2CC[C@H](Cc12)C[*:1]
Cc1nnc(N[C@@H](C)CCCO)c(C#N)c1C OCC[*:1] Cc1nnc(N[C@@H](C)C[*:1])c(C#N)c1C
Cc1nnc(N[C@@H](C)CCCO)c(C#N)c1C OCCC[*:1] Cc1nnc(N[C@@H](C)[*:1])c(C#N)c1C
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cc(C)oc2C)C1 Cc1cc(c(C)o1)[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N[C@@H](C)[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cc(C)oc2C)C1 CC[S@@](=O)[*:1] Cc1cc(c(C)o1)[C@H](C)NC(=O)N[C@H]1CCC[C@H](C1)[*:1]
CCc1nn2c(=O)cc(COC(C)=O)nc2s1 CC(=O)O[*:1] CCc1nn2c(=O)cc(C[*:1])nc2s1
CCc1nn2c(=O)cc(COC(C)=O)nc2s1 CC(=O)OC[*:1] CCc1nn2c(=O)cc(nc2s1)[*:1]
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H]2ON([C@@H](c3cccs3)[C@H]2C(=O)N1c1ccccc1)[*:1]
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1[*:1]
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccccc1 c1csc(c1)[*:1] O=C1[C@@H]2ON(c3ccccc3)[C@@H]([C@H]2C(=O)N1c1ccccc1)[*:1]
Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3cccs3)[nH]c2c1 c1csc(c1)[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)NC[*:1]
Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3cccs3)[nH]c2c1 c1csc(c1)C[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)N[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)c1csc(-c2cnn(C)c2)n1 Cn1cc(cn1)[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)c1csc(n1)[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)c1csc(-c2cnn(C)c2)n1 Cc1ccccc1[*:1] C[C@@H](CNC(=O)c1csc(n1)-c1cnn(C)c1)O[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)c1csc(-c2cnn(C)c2)n1 Cc1ccccc1O[*:1] C[C@@H](CNC(=O)c1csc(n1)-c1cnn(C)c1)[*:1]
O=C(N[C@H](CO)c1ccccc1F)c1csc2c1CCCC2 Fc1ccccc1[*:1] O=C(N[C@H](CO)[*:1])c1csc2CCCCc12
Cc1ccc(/C=C/C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1Cl NC(=O)[*:1] Cc1ccc(/C=C/C(=O)N2Cc3ccccc3C[C@H]2[*:1])cc1Cl
Cc1ccc(/C=C/C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1Cl Cc1ccc(cc1Cl)[*:1] NC(=O)[C@H]1Cc2ccccc2CN1C(=O)C=C[*:1]
Cc1cccc(C2=CCN(C(=O)NCc3nc(C)c(C)s3)CC2)c1 Cc1nc(C[*:1])sc1C Cc1cccc(c1)C1=CCN(CC1)C(=O)N[*:1]
Cc1cccc(C2=CCN(C(=O)NCc3nc(C)c(C)s3)CC2)c1 Cc1nc(sc1C)[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)NC[*:1]
Cc1cccc(C2=CCN(C(=O)NCc3nc(C)c(C)s3)CC2)c1 Cc1cccc(c1)[*:1] Cc1nc(CNC(=O)N2CC=C(CC2)[*:1])sc1C
O=C(CNc1cc([N+](=O)[O-])ccc1F)Nc1cccc2nsnc12 O=[N+]([O-])[*:1] O=C(CNc1cc(ccc1F)[*:1])Nc1cccc2nsnc12
O=C(CN1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN1CC[NH+](CC1)C[C@@H]1C[C@H]1c1ccccc1)N[*:1]
O=C(CN1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC1)C[C@@H]1C[C@@H]1[*:1])NC1CCCCC1
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCCCC(C)(C)C CC(C)(C)CCC[*:1] Cc1cn(nc1NC(=O)C(=O)N[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCCCC(C)(C)C Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)C(=O)NCCCC(C)(C)C)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCCCC(C)(C)C CC(C)(C)C[*:1] Cc1cn(nc1NC(=O)C(=O)NCC[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCCCC(C)(C)C CC(C)(C)[*:1] Cc1cn(nc1NC(=O)C(=O)NCCC[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCCCC(C)(C)C CC(C)(C)CC[*:1] Cc1cn(nc1NC(=O)C(=O)NC[*:1])-c1ccccc1Cl
CCCN(CC(=O)OCC)C(=O)c1ccc(C)s1 CCOC(=O)C[*:1] CCCN(C(=O)c1ccc(C)s1)[*:1]
CCCN(CC(=O)OCC)C(=O)c1ccc(C)s1 CCC[*:1] CCOC(=O)CN(C(=O)c1ccc(C)s1)[*:1]
CCCN(CC(=O)OCC)C(=O)c1ccc(C)s1 CCOC(=O)[*:1] CCCN(C[*:1])C(=O)c1ccc(C)s1
CCCN(CC(=O)OCC)C(=O)c1ccc(C)s1 Cc1ccc(s1)[*:1] CCCN(CC(=O)OCC)C(=O)[*:1]
CN(C)c1ccc(/C=N/c2nonc2-c2ccccc2)cc1 CN(C)[*:1] C(=N/c1nonc1-c1ccccc1)\c1ccc(cc1)[*:1]
CN(C)c1ccc(/C=N/c2nonc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)c1ccc(/C=N/c2nonc2[*:1])cc1
C=CCn1c(=C(C#N)C#N)s/c(=C\c2cccc(OC)c2OC)c1=O C=CC[*:1] COc1cccc(/C=c2\sc(=C(C#N)C#N)n(c2=O)[*:1])c1OC
COc1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1 O=C([O-])C[*:1] COc1ccc(cc1)S(=O)(=O)N(C)CC[*:1]
COc1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)S(=O)(=O)N(C)CCC[*:1]
COc1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1 O=C([O-])CC[*:1] COc1ccc(cc1)S(=O)(=O)N(C)C[*:1]
COc1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1 O=C([O-])CCC[*:1] COc1ccc(cc1)S(=O)(=O)N(C)[*:1]
C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCC[C@H](C1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)CCn2ccccc2=O)cc1 COc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](O)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)CCn2ccccc2=O)cc1 O=c1ccccn1[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)CC[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)CCn2ccccc2=O)cc1 O=c1ccccn1C[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)C[*:1]
CC[NH2+]C/C(=C\c1cc(C)c(OC(F)F)c(C)c1)CC FC(F)[*:1] CC[NH2+]C/C(=C\c1cc(C)c(O[*:1])c(C)c1)CC
CC[NH2+]C/C(=C\c1cc(C)c(OC(F)F)c(C)c1)CC FC(F)O[*:1] CC[NH2+]C/C(=C\c1cc(C)c(c(C)c1)[*:1])CC
CC(C)=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccc1)C3 c1ccc(cc1)[*:1] CC(C)=C1Oc2c3CN(COc3cc(C)c2C1=O)C[*:1]
CC(C)=C1Oc2c3c(cc(C)c2C1=O)OCN(Cc1ccccc1)C3 c1ccc(cc1)C[*:1] CC(C)=C1Oc2c3CN(COc3cc(C)c2C1=O)[*:1]
COCCO[C@H](C)C(=O)Nc1cc(F)ccc1F COCCO[*:1] C[C@H](C(=O)Nc1cc(F)ccc1F)[*:1]
COCCO[C@H](C)C(=O)Nc1cc(F)ccc1F COC[*:1] C[C@@H](OC[*:1])C(=O)Nc1cc(F)ccc1F
COCCO[C@H](C)C(=O)Nc1cc(F)ccc1F COCC[*:1] C[C@@H](O[*:1])C(=O)Nc1cc(F)ccc1F
CCOC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)c1ccccc1[N+](=O)[O-] CCOC(=O)[*:1] Cc1ccc2=[NH+][C@@H](C(NC(=O)c3ccccc3[N+](=O)[O-])=c2c1)[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] CCOC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)[*:1]
CCOC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)c1ccccc1[*:1]
COc1cccc(N2C(=O)CSC23CCN(C(=O)Nc2ccccc2C)CC3)c1 COc1cccc(c1)[*:1] Cc1ccccc1NC(=O)N1CCC2(CC1)SCC(=O)N2[*:1]
COc1cccc(N2C(=O)CSC23CCN(C(=O)Nc2ccccc2C)CC3)c1 Cc1ccccc1[*:1] COc1cccc(c1)N1C(=O)CSC12CCN(CC2)C(=O)N[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N(Cc1ccc(O)cc1)Cc1ccco1
Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N(Cc1ccc(O)cc1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)N(Cc1ccc(O)cc1)Cc1ccco1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N(Cc1ccc(O)cc1)C[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 Oc1ccc(cc1)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N(Cc1ccco1)C[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 Oc1ccc(cc1)C[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N(Cc1ccco1)[*:1]
O=C(c1cccc(C(F)(F)F)c1)N(Cc1ccco1)c1ccccn1 c1ccc(nc1)[*:1] O=C(c1cccc(c1)C(F)(F)F)N(Cc1ccco1)[*:1]
O=C(c1cccc(C(F)(F)F)c1)N(Cc1ccco1)c1ccccn1 c1coc(c1)C[*:1] O=C(c1cccc(c1)C(F)(F)F)N(c1ccccn1)[*:1]
O=C(c1cccc(C(F)(F)F)c1)N(Cc1ccco1)c1ccccn1 FC(F)(F)[*:1] O=C(c1cccc(c1)[*:1])N(Cc1ccco1)c1ccccn1
O=C(c1cccc(C(F)(F)F)c1)N(Cc1ccco1)c1ccccn1 c1coc(c1)[*:1] O=C(c1cccc(c1)C(F)(F)F)N(C[*:1])c1ccccn1
CS[C@H](C)C[NH2+][C@@H](C)c1c[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] CS[C@H](C)C[NH2+][C@@H](C)c1c[nH]c2ccc(cc12)[*:1]
O=C(NCc1nc(-c2ccccc2)n[nH]1)c1ccc(-c2cc[nH]n2)cc1 c1ccc(cc1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])c1ccc(cc1)-c1cc[nH]n1
O=C(NCc1nc(-c2ccccc2)n[nH]1)c1ccc(-c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] O=C(NCc1nc(n[nH]1)-c1ccccc1)c1ccc(cc1)[*:1]
c1ccc2oc(-c3noc(-c4cc(-n5cccn5)ccn4)n3)cc2c1 c1cnn(c1)[*:1] c1ccc2oc(cc2c1)-c1noc(n1)-c1cc(ccn1)[*:1]
COc1cccc(CNC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 CC(C)(C)C(=O)N[*:1] COc1cccc(c1)CNC(=O)Cc1csc(n1)[*:1]
COc1cccc(CNC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 CC(C)(C)[*:1] COc1cccc(c1)CNC(=O)Cc1csc(n1)NC(=O)[*:1]
COc1cccc(CNC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 COc1cccc(c1)[*:1] CC(C)(C)C(=O)Nc1nc(cs1)CC(=O)NC[*:1]
C[C@H](Cc1ccco1)NC(=O)[C@H]1Cc2ccccc2C(=O)O1 c1coc(c1)C[*:1] C[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)[*:1]
C[C@H](Cc1ccco1)NC(=O)[C@H]1Cc2ccccc2C(=O)O1 c1coc(c1)[*:1] C[C@H](C[*:1])NC(=O)[C@H]1Cc2ccccc2C(=O)O1
Cc1c(N[C@@H]2CCC[C@@H](C)C2)cc(N)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1c(cc(N)cc1[*:1])N[C@@H]1CCC[C@@H](C)C1
Cc1ccc(CSc2nnc(N/N=C/c3cccc(Cl)c3)n2N)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)CSc1nnc(NN=C[*:1])n1N
Cc1ccc(CSc2nnc(N/N=C/c3cccc(Cl)c3)n2N)cc1 Cc1ccc(cc1)C[*:1] Nn1c(nnc1S[*:1])N/N=C/c1cccc(Cl)c1
Cc1ccc(CSc2nnc(N/N=C/c3cccc(Cl)c3)n2N)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1SC[*:1])N/N=C/c1cccc(Cl)c1
O=C([C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 c1cn(cn1)[*:1] O=C([C@@H]1CCCN(C1)c1ccc(nn1)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C([C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 c1cn(cn1)-c1ccc(nn1)[*:1] O=C([C@@H]1CCCN(C1)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C([C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C([C@@H]1CCCN(C1)c1ccc(nn1)-n1ccnc1)N1CCN(CC1)[*:1]
O=C([C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C([C@@H]1CCCN(C1)c1ccc(nn1)-n1ccnc1)N1CCN(CC1)c1cccc(c1)[*:1]
CC[C@@H](C)N1C(=O)[C@](C)(CC)NC(=O)[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] CC[C@@H](C)N1C(=O)[C@](C)(CC)NC(=O)[C@H]1[*:1]
CC[C@@H](C)N1C(=O)[C@](C)(CC)NC(=O)[C@@H]1C1CCCCC1 CC[C@@H](C)[*:1] CC[C@]1(C)NC(=O)[C@H](C2CCCCC2)N(C1=O)[*:1]
C[C@H]([NH2+][C@H](C)[C@@H](C)C(=O)[O-])C1CCCCC1 O=C([O-])[*:1] C[C@H]([NH2+][C@H](C)[C@@H](C)[*:1])C1CCCCC1
COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2cccc(C)c2)C(=S)N1 Cc1cccc(c1)[*:1] COC(=O)c1ccc2O[C@@]3(C)C[C@H](NC(=S)N3[*:1])c2c1
COC(=O)c1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(c2cccc(C)c2)C(=S)N1 COC(=O)[*:1] Cc1cccc(c1)N1C(=S)N[C@H]2C[C@]1(C)Oc1ccc(cc12)[*:1]
CC(C)COc1ccccc1NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 CC(C)[*:1] O=C(Nc1ccccc1OC[*:1])[C@H]1C[C@@H]2C=C[C@H]1C2
CC(C)COc1ccccc1NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 CC(C)C[*:1] O=C(Nc1ccccc1O[*:1])[C@H]1C[C@@H]2C=C[C@H]1C2
CC(C)COc1ccccc1NC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 CC(C)CO[*:1] O=C(Nc1ccccc1[*:1])[C@H]1C[C@@H]2C=C[C@H]1C2
CC(=O)N[C@H]1CN(c2nccc(N3CCC(O)CC3)n2)C[C@@H]1C1CC1 C1CC1[*:1] CC(=O)N[C@H]1CN(C[C@H]1[*:1])c1nccc(n1)N1CCC(O)CC1
CC(=O)N[C@H]1CN(c2nccc(N3CCC(O)CC3)n2)C[C@@H]1C1CC1 OC1CCN(CC1)[*:1] CC(=O)N[C@H]1CN(C[C@@H]1C1CC1)c1nccc(n1)[*:1]
CC(=O)N[C@H]1CN(c2nccc(N3CCC(O)CC3)n2)C[C@@H]1C1CC1 CC(=O)N[*:1] OC1CCN(CC1)c1ccnc(n1)N1C[C@H](C2CC2)[C@H](C1)[*:1]
CCC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)C1C(C)(C)C1(C)C O=C([O-])[*:1] CCC[C@@H]1SC[C@@H](N1C(=O)C1C(C)(C)C1(C)C)[*:1]
CCC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)C1C(C)(C)C1(C)C CCC[*:1] CC1(C)C(C(=O)N2[C@@H](SC[C@H]2C(=O)[O-])[*:1])C1(C)C
O=C1c2ccccc2N[C@H](c2ccsc2)N1c1ccc(Cl)cc1 c1cc(cs1)[*:1] O=C1c2ccccc2N[C@H](N1c1ccc(Cl)cc1)[*:1]
O=C1c2ccccc2N[C@H](c2ccsc2)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@H](c2ccsc2)N1[*:1]
NC(=O)c1ccccc1OCc1ccc(C(F)(F)F)cc1 NC(=O)[*:1] FC(F)(F)c1ccc(cc1)COc1ccccc1[*:1]
NC(=O)c1ccccc1OCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] NC(=O)c1ccccc1OCc1ccc(cc1)[*:1]
Cc1c(NC(=O)c2cccc3cc[nH]c23)cccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1c(cccc1[*:1])NC(=O)c1cccc2cc[nH]c12
O=C(NCCc1cccs1)C(=O)Nc1ccc2c(c1)OCCO2 c1csc(c1)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc2OCCOc2c1
O=C(NCCc1cccs1)C(=O)Nc1ccc2c(c1)OCCO2 c1csc(c1)CC[*:1] O=C(Nc1ccc2OCCOc2c1)C(=O)N[*:1]
O=C(NCCc1cccs1)C(=O)Nc1ccc2c(c1)OCCO2 c1csc(c1)C[*:1] O=C(NC[*:1])C(=O)Nc1ccc2OCCOc2c1
CC(C)OCCCNC(N)=O CC(C)[*:1] NC(=O)NCCCO[*:1]
CCc1nncn1CCNC(=O)NC[C@]1(C)CCCc2ccccc21 CCc1nncn1C[*:1] C[C@]1(CCCc2ccccc21)CNC(=O)NC[*:1]
CCc1nncn1CCNC(=O)NC[C@]1(C)CCCc2ccccc21 CCc1nncn1[*:1] C[C@]1(CCCc2ccccc21)CNC(=O)NCC[*:1]
COCCCn1nnc(N)c1C COCC[*:1] Cc1c(N)nnn1C[*:1]
COCCCn1nnc(N)c1C COC[*:1] Cc1c(N)nnn1CC[*:1]
CC(=O)N1CCN(Cc2cc(NCCC[C@H]3CCCC[C@@H]3O)cc[nH+]2)CC1 CC(=O)N1CCN(CC1)[*:1] O[C@H]1CCCC[C@@H]1CCCNc1cc[nH+]c(c1)C[*:1]
O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCCNC(=O)C1CC1 C1CC1[*:1] O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCCNC(=O)[*:1]
O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCCNC(=O)C1CC1 O=C(NC[*:1])C1CC1 O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[*:1]
O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCCNC(=O)C1CC1 O=C(N[*:1])C1CC1 O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCC[*:1]
Cc1cccc(OCCCC(=O)Nc2ccccc2F)c1 Cc1cccc(c1)[*:1] O=C(CCCO[*:1])Nc1ccccc1F
Cc1cccc(OCCCC(=O)Nc2ccccc2F)c1 Fc1ccccc1[*:1] Cc1cccc(c1)OCCCC(=O)N[*:1]
Cc1ccc(C[C@@H]2CCCN2C(=O)C(=O)Nc2ccn(C)n2)cc1 Cn1ccc(n1)[*:1] Cc1ccc(cc1)C[C@@H]1CCCN1C(=O)C(=O)N[*:1]
Cc1ccc(C[C@@H]2CCCN2C(=O)C(=O)Nc2ccn(C)n2)cc1 Cc1ccc(cc1)[*:1] Cn1ccc(n1)NC(=O)C(=O)N1CCC[C@H]1C[*:1]
Cc1ccc(C[C@@H]2CCCN2C(=O)C(=O)Nc2ccn(C)n2)cc1 Cc1ccc(cc1)C[*:1] Cn1ccc(n1)NC(=O)C(=O)N1CCC[C@H]1[*:1]
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)[*:1])C(=O)c1c[nH]c2ccccc12
O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccccc1)C(=O)[*:1]
CCOC(=O)N1CCC(NC(=O)Cc2ccc(-n3c(=O)[nH]c4ccccc4c3=O)cc2)CC1 CCOC(=O)N1CCC(CC1)[*:1] O=C(Cc1ccc(cc1)-n1c(=O)[nH]c2ccccc2c1=O)N[*:1]
CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3F)cc2NC1=O Fc1cc(Cl)ccc1[*:1] CC[C@@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)CCC(=O)N[*:1]
O=C(NCCc1nc(-c2ccc(F)cc2)c[nH]1)c1nc2ccccc2c(=O)[nH]1 Fc1ccc(cc1)[*:1] O=C(NCCc1nc(c[nH]1)[*:1])c1nc2ccccc2c(=O)[nH]1
CNC(=O)C[NH2+][C@@H](C)c1ccc(O)c(OC)c1 CNC(=O)[*:1] COc1cc(ccc1O)[C@H](C)[NH2+]C[*:1]
CNC(=O)C[NH2+][C@@H](C)c1ccc(O)c(OC)c1 CNC(=O)C[*:1] COc1cc(ccc1O)[C@H](C)[NH2+][*:1]
Cn1ncnc1CNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F Cn1ncnc1[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F
Cn1ncnc1CNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F Cn1ncnc1C[*:1] O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)N[*:1]
Cn1ncnc1CNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cn1ncnc1CNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1[*:1]
COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)ccn3n2)cc1OC Cc1ccc(cc1Cl)[*:1] COc1ccc(cc1OC)-c1cc2c(=O)n(ccn2n1)CC(=O)N[*:1]
COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)ccn3n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1Cl)NC(=O)Cn1ccn2nc(cc2c1=O)[*:1]
CC(C)N1C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])CC1=O CC(C)[*:1] O=C([O-])[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)N1C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])CC1=O O=C([O-])[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N[C@@H](CO)[*:1]
CC(C)N1C[C@H](C(=O)N[C@@H](CO)C(=O)[O-])CC1=O O=C([O-])[C@H](CO)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N[*:1]
COc1ccccc1SCc1nccn1C(F)F FC(F)[*:1] COc1ccccc1SCc1nccn1[*:1]
Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC1(C#N)CC1 N#CC1(CC1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC1(C#N)CC1 FC(F)(F)[*:1] Cc1ccc(cc1S(=O)(=O)NC1(C#N)CC1)[*:1]
COc1cccc([C@H]2C[C@@H]2C(=O)NC[C@H](C)Oc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1C[C@@H]1C(=O)NC[C@H](C)O[*:1]
COc1cccc([C@H]2C[C@@H]2C(=O)NC[C@H](C)Oc2ccc(F)cc2)c1 Fc1ccc(cc1)O[*:1] COc1cccc(c1)[C@H]1C[C@@H]1C(=O)NC[C@H](C)[*:1]
COc1cccc([C@H]2C[C@@H]2C(=O)NC[C@H](C)Oc2ccc(F)cc2)c1 COc1cccc(c1)[*:1] C[C@@H](CNC(=O)[C@H]1C[C@@H]1[*:1])Oc1ccc(F)cc1
CSc1nc([O-])c(C(=O)NC[C@H](C)Oc2ccccc2F)cc1C#N Fc1ccccc1O[*:1] CSc1nc([O-])c(cc1C#N)C(=O)NC[C@H](C)[*:1]
CSc1nc([O-])c(C(=O)NC[C@H](C)Oc2ccccc2F)cc1C#N Fc1ccccc1[*:1] CSc1nc([O-])c(cc1C#N)C(=O)NC[C@H](C)O[*:1]
NC(=O)c1cccnc1N1CCN(Cc2cccc(F)c2Cl)CC1 NC(=O)[*:1] Fc1cccc(CN2CCN(CC2)c2ncccc2[*:1])c1Cl
NC(=O)c1cccnc1N1CCN(Cc2cccc(F)c2Cl)CC1 Fc1cccc(c1Cl)[*:1] NC(=O)c1cccnc1N1CCN(CC1)C[*:1]
O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1F Fc1ccccc1[*:1] O=C(NC(=S)Nc1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1F O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccc(Cl)c(c1)[*:1])c1ccccc1F
Cc1ccccc1NC(=O)Nc1cc(F)c2[nH]c(=O)ccc2c1 Cc1ccccc1[*:1] O=C(Nc1cc(F)c2[nH]c(=O)ccc2c1)N[*:1]
O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1csc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1csc(n1)[*:1]
CN(Cc1ccccn1)C(=O)CCCOc1ccccc1Cl c1ccc(C[*:1])nc1 CN(C(=O)CCCOc1ccccc1Cl)[*:1]
CN(Cc1ccccn1)C(=O)CCCOc1ccccc1Cl c1ccc(nc1)[*:1] CN(C[*:1])C(=O)CCCOc1ccccc1Cl
CN(Cc1ccccn1)C(=O)CCCOc1ccccc1Cl Clc1ccccc1[*:1] CN(Cc1ccccn1)C(=O)CCCO[*:1]
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)c(F)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)c2ccc(nc2C)[*:1])c(F)c1
Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)c(F)c1 Cc1ccc(c(F)c1)[*:1] Cc1nc(ccc1C(=O)N[*:1])-c1ccccc1
N#C[C@H](C(=O)Cc1ccc(F)cc1F)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@H](C(=O)Cc1ccc(F)cc1F)[*:1]
COC(=O)[C@H](C)NC(=O)Nc1cc(OC)ccc1OC COC(=O)[*:1] COc1ccc(OC)c(c1)NC(=O)N[C@@H](C)[*:1]
COC(=O)[C@H](C)NC(=O)Nc1cc(OC)ccc1OC COC(=O)[C@H](C)[*:1] COc1ccc(OC)c(c1)NC(=O)N[*:1]
Cc1ccccc1NC(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 Cc1ccccc1[*:1] O=C(N[*:1])C(=O)N1CCC[C@@H](C1)C(=O)Nc1ccccc1
Cc1ccccc1NC(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 O=C(Nc1ccccc1)[*:1] Cc1ccccc1NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccccc1NC(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCc1ccc(Nc2nc(N)nc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1 CCc1ccc(cc1)N[*:1] Nc1nc(C[NH+]2CCN(CC2)c2ccccc2)nc(n1)[*:1]
CCc1ccc(Nc2nc(N)nc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)Nc1nc(N)nc(C[NH+]2CCN(CC2)[*:1])n1
CCc1ccc(Nc2nc(N)nc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1 CCc1ccc(cc1)[*:1] Nc1nc(C[NH+]2CCN(CC2)c2ccccc2)nc(n1)N[*:1]
CC(C)c1cnc(C[NH+]2CCN(CCN3C(=O)CCC3=O)CC2)o1 CC(C)c1cnc(o1)[*:1] O=C1CCC(=O)N1CCN1CC[NH+](CC1)C[*:1]
CC(C)c1cnc(C[NH+]2CCN(CCN3C(=O)CCC3=O)CC2)o1 CC(C)[*:1] O=C1CCC(=O)N1CCN1CC[NH+](CC1)Cc1ncc(o1)[*:1]
CC(C)c1cnc(C[NH+]2CCN(CCN3C(=O)CCC3=O)CC2)o1 O=C1CCC(=O)N1[*:1] CC(C)c1cnc(C[NH+]2CCN(CC2)CC[*:1])o1
CC(C)c1cnc(C[NH+]2CCN(CCN3C(=O)CCC3=O)CC2)o1 O=C1CCC(=O)N1C[*:1] CC(C)c1cnc(C[NH+]2CCN(CC2)C[*:1])o1
COc1ccc([C@H]2CCCN2C[C@H](C#N)CCC#N)c(OC)c1 N#CCC[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C[C@H](C#N)[*:1]
COc1ccc([C@H]2CCCN2C[C@H](C#N)CCC#N)c(OC)c1 N#CC[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C[C@H](C#N)C[*:1]
O=C(NCc1cccnc1OCC(F)(F)F)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(C[*:1])s1 O=C(NCc1cccnc1OCC(F)(F)F)N1CCN(CC1)[*:1]
O=C(NCc1cccnc1OCC(F)(F)F)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] O=C(NCc1cccnc1OCC(F)(F)F)N1CCN(CC1)C[*:1]
O=C(NCc1cccnc1OCC(F)(F)F)N1CCN(Cc2ccc(Cl)s2)CC1 FC(F)(F)C[*:1] O=C(NCc1cccnc1O[*:1])N1CCN(CC1)Cc1ccc(Cl)s1
O=C(NCc1cccnc1OCC(F)(F)F)N1CCN(Cc2ccc(Cl)s2)CC1 FC(F)(F)[*:1] O=C(NCc1cccnc1OC[*:1])N1CCN(CC1)Cc1ccc(Cl)s1
O=C(NCc1cccnc1OCC(F)(F)F)N1CCN(Cc2ccc(Cl)s2)CC1 FC(F)(F)CO[*:1] O=C(NCc1cccnc1[*:1])N1CCN(CC1)Cc1ccc(Cl)s1
O=C(C[NH2+]C1CCCCC1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(C[NH2+]C1CCCCC1)NC[*:1]
[NH3+]C1(CC(=O)N[C@@H]2CCCc3occc32)CCC1 [NH3+]C1(CCC1)C[*:1] O=C(N[C@@H]1CCCc2occc21)[*:1]
COCc1nc(C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)cs1 COC[*:1] C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1csc(n1)[*:1]
O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)N1CCN(C(=O)c2cccs2)CC1 c1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@H](C[*:1])C1=O)N1CCN(CC1)C(=O)c1cccs1
O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)N1CCN(C(=O)c2cccs2)CC1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)N[C@H](C1=O)[*:1])N1CCN(CC1)C(=O)c1cccs1
O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)N1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)N1CCN(CC1)C(=O)[*:1]
Cc1nc([C@@H](NC(=O)CCN2CCCC2=O)c2ccc(Cl)cc2)no1 O=C1CCCN1C[*:1] Cc1nc(no1)[C@@H](NC(=O)C[*:1])c1ccc(Cl)cc1
Cc1nc([C@@H](NC(=O)CCN2CCCC2=O)c2ccc(Cl)cc2)no1 Cc1nc(no1)[*:1] O=C(CCN1CCCC1=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1nc([C@@H](NC(=O)CCN2CCCC2=O)c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1nc(no1)[C@@H](NC(=O)CCN1CCCC1=O)[*:1]
Cc1nc([C@@H](NC(=O)CCN2CCCC2=O)c2ccc(Cl)cc2)no1 O=C1CCCN1CC[*:1] Cc1nc(no1)[C@@H](NC(=O)[*:1])c1ccc(Cl)cc1
Cc1nc([C@@H](NC(=O)CCN2CCCC2=O)c2ccc(Cl)cc2)no1 O=C1CCCN1[*:1] Cc1nc(no1)[C@@H](NC(=O)CC[*:1])c1ccc(Cl)cc1
CCOc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1 CCO[*:1] CC1(C)Cc2cccc(OCC(=O)Nc3ccc(cc3)[*:1])c2O1
CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)CSc2nc(C)cs2)CC1 Cc1csc(n1)S[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1NC(=O)C[*:1])C(F)(F)F
CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)CSc2nc(C)cs2)CC1 FC(F)(F)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1NC(=O)CSc1nc(C)cs1)[*:1]
CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)CSc2nc(C)cs2)CC1 Cc1csc(n1)[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1NC(=O)CS[*:1])C(F)(F)F
CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)CSc2nc(C)cs2)CC1 Cc1csc(n1)SC[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1NC(=O)[*:1])C(F)(F)F
Cc1ccc([C@@H]2CSCCN2CC(=O)OC(C)C)o1 CC(C)[*:1] Cc1ccc(o1)[C@@H]1CSCCN1CC(=O)O[*:1]
Cc1ccc([C@@H]2CSCCN2CC(=O)OC(C)C)o1 Cc1ccc(o1)[*:1] CC(C)OC(=O)CN1CCSC[C@H]1[*:1]
Cc1ccc([C@@H]2CSCCN2CC(=O)OC(C)C)o1 CC(C)OC(=O)[*:1] Cc1ccc(o1)[C@@H]1CSCCN1C[*:1]
CC[C@](C)(NC(=O)c1cnc([C@@H]2CCCO2)s1)C(=O)OC COC(=O)[*:1] CC[C@](C)(NC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
CC[C@](C)(NC(=O)c1cnc([C@@H]2CCCO2)s1)C(=O)OC C1CO[C@@H](C1)[*:1] CC[C@](C)(NC(=O)c1cnc(s1)[*:1])C(=O)OC
C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1occc1Br FC(F)[*:1] C[C@@H]([NH2+]Cc1cccnc1OC[*:1])c1occc1Br
C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1occc1Br FC(F)CO[*:1] C[C@@H]([NH2+]Cc1cccnc1[*:1])c1occc1Br
C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1occc1Br FC(F)C[*:1] C[C@@H]([NH2+]Cc1cccnc1O[*:1])c1occc1Br
C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1occc1Br Brc1ccoc1[*:1] C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)[*:1]
CNC(=O)Cc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])C1CCN(CC1)C(=O)c1ccoc1
CNC(=O)Cc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 c1cc(co1)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CNC(=O)Cc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 CNC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)C(=O)c1ccoc1
CCc1ncc(C[NH2+][C@@H](CC)CCO)s1 OCC[*:1] CCc1ncc(C[NH2+][C@@H](CC)[*:1])s1
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)c1cccc(Cl)c1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)NC(=O)NC[C@H](C)Nc1ccccc1 CC(C)[*:1] C[C@@H](CNC(=O)N[*:1])Nc1ccccc1
COc1cc(F)cc(CNC(=O)N(C)Cc2ccc(O)cc2)c1 Oc1ccc(cc1)[*:1] COc1cc(F)cc(c1)CNC(=O)N(C)C[*:1]
COC[C@@H](C)CC(=O)N1CC(CC(=O)[O-])C1 O=C([O-])C[*:1] COC[C@@H](C)CC(=O)N1CC(C1)[*:1]
COC[C@@H](C)CC(=O)N1CC(CC(=O)[O-])C1 O=C([O-])[*:1] COC[C@@H](C)CC(=O)N1CC(C1)C[*:1]
COC[C@@H](C)CC(=O)N1CC(CC(=O)[O-])C1 COC[C@@H](C)[*:1] O=C([O-])CC1CN(C1)C(=O)C[*:1]
COC[C@@H](C)CC(=O)N1CC(CC(=O)[O-])C1 COC[*:1] C[C@@H](CC(=O)N1CC(CC(=O)[O-])C1)[*:1]
O=C(CN1C(=O)c2ccccc2C1=O)OCc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)OCc1csc(n1)[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)NCc1ncc[nH]1 c1c[nH]c(n1)[*:1] CC(C)C[C@@H](C[NH3+])C(=O)NC[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)NCc1ncc[nH]1 CC(C)[*:1] [NH3+]C[C@H](C[*:1])C(=O)NCc1ncc[nH]1
CC(C)C[C@@H](C[NH3+])C(=O)NCc1ncc[nH]1 CC(C)C[*:1] [NH3+]C[C@@H](C(=O)NCc1ncc[nH]1)[*:1]
Cn1nc(NC(=O)c2ccccc2Cl)c2c1NC(=O)C[C@@H]2c1ccco1 Clc1ccccc1[*:1] Cn1nc(NC(=O)[*:1])c2c1NC(=O)C[C@@H]2c1ccco1
Cn1nc(NC(=O)c2ccccc2Cl)c2c1NC(=O)C[C@@H]2c1ccco1 c1coc(c1)[*:1] Cn1nc(NC(=O)c2ccccc2Cl)c2c1NC(=O)C[C@H]2[*:1]
COc1ccccc1CC(C)(C)NS(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] COc1ccccc1CC(C)(C)NS(=O)(=O)[*:1]
CC(C)(C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br CC(C)(C)[*:1] NS(=O)(=O)c1ccc(Br)c(c1)C(=O)N[*:1]
CC(C)(C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br NS(=O)(=O)[*:1] CC(C)(C)NC(=O)c1cc(ccc1Br)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 C[C@H]1C[C@@H]1[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(c1)NC(=O)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 C[C@H]1C[C@@H]1C(=O)N[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(c1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 Cc1noc(C)c1[*:1] C[C@H]1C[C@@H]1C(=O)Nc1cccc(c1)C(=O)N[C@@H](C)[*:1]
O=C(C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCC[C@H](O)C1 FC(F)(F)c1cccc(c1)[*:1] O=C(C[C@]1(CC(=O)N(C1=O)C1CC1)[*:1])N1CCC[C@H](O)C1
O=C(C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCC[C@H](O)C1 C1CC1[*:1] O=C(C[C@]1(CC(=O)N(C1=O)[*:1])c1cccc(c1)C(F)(F)F)N1CCC[C@H](O)C1
O=C(C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCC[C@H](O)C1 FC(F)(F)[*:1] O=C(C[C@]1(CC(=O)N(C1=O)C1CC1)c1cccc(c1)[*:1])N1CCC[C@H](O)C1
O=C(C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCC[C@H](O)C1 O=C(N1CCC[C@H](O)C1)[*:1] O=C1C[C@](C[*:1])(C(=O)N1C1CC1)c1cccc(c1)C(F)(F)F
O=C(C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCC[C@H](O)C1 O=C(C[*:1])N1CCC[C@H](O)C1 O=C1C[C@@](C(=O)N1C1CC1)(c1cccc(c1)C(F)(F)F)[*:1]
CC[C@@H](C)Oc1c(Br)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC c1ccc(cc1)[*:1] CC[C@@H](C)Oc1c(Br)cc(/C=C2/NC(=O)N(C2=O)[*:1])cc1OC
CC(=O)c1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1C FC(F)(F)[*:1] CC(=O)c1sc(nc1C)NC(=O)c1ccc(cc1)[*:1]
CC(=O)c1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1C CC(=O)[*:1] Cc1nc(NC(=O)c2ccc(cc2)C(F)(F)F)sc1[*:1]
CCOc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1S(=O)(=O)N1CCCC1 CCO[*:1] CN1N=C(CCC1=O)C(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCCC1)[*:1]
CCOc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] CCOc1ccc(cc1[*:1])NC(=O)C1CCC(=O)N(C)N=1
Cc1ccsc1/C=N/N=c1\[n-]cnc2[nH]cnc12 Cc1ccsc1[*:1] C(=N/N=c1\[n-]cnc2[nH]cnc12)[*:1]
Cc1nc(C)n([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 Cc1nc(C)n(n1)[*:1] O=C(CCn1cc[nH+]c1)N1CCC[C@@H](C1)[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)NC[C@H](O)C(=O)[O-])C1 O=C([O-])[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)NC[C@H](O)[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)NC[C@H](O)C(=O)[O-])C1 O=C([O-])[C@@H](O)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)NC[*:1]
COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)Cc2cc(C)on2)[C@H]3C1=O Cc1cc(no1)[*:1] COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)C[*:1])[C@H]3C1=O
COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)Cc2cc(C)on2)[C@H]3C1=O COC[*:1] Cc1cc(CN(C)C(=O)[C@H]2[C@H]3C=C[C@]4(CN(C[*:1])C(=O)[C@H]24)O3)no1
COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)Cc2cc(C)on2)[C@H]3C1=O COCC[*:1] Cc1cc(CN(C)C(=O)[C@H]2[C@H]3C=C[C@]4(CN(C(=O)[C@H]24)[*:1])O3)no1
COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)Cc2cc(C)on2)[C@H]3C1=O Cc1cc(C[*:1])no1 COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)[*:1])[C@H]3C1=O
CCc1cccc2c(C=O)cn(CC(=O)NCCOC)c12 COC[*:1] CCc1cccc2c(C=O)cn(CC(=O)NC[*:1])c12
CCc1cccc2c(C=O)cn(CC(=O)NCCOC)c12 COCCNC(=O)[*:1] CCc1cccc2c(C=O)cn(C[*:1])c12
CCc1cccc2c(C=O)cn(CC(=O)NCCOC)c12 COCC[*:1] CCc1cccc2c(C=O)cn(CC(=O)N[*:1])c12
Cc1cccc(COc2cccc(NC(=O)N(C)CCC#N)c2)c1 Cc1cccc(c1)[*:1] CN(CCC#N)C(=O)Nc1cccc(c1)OC[*:1]
Cc1cccc(COc2cccc(NC(=O)N(C)CCC#N)c2)c1 N#CC[*:1] Cc1cccc(c1)COc1cccc(c1)NC(=O)N(C)C[*:1]
Cc1cccc(COc2cccc(NC(=O)N(C)CCC#N)c2)c1 N#CCC[*:1] Cc1cccc(c1)COc1cccc(c1)NC(=O)N(C)[*:1]
Cc1cccc(COc2cccc(NC(=O)N(C)CCC#N)c2)c1 Cc1cccc(c1)C[*:1] CN(CCC#N)C(=O)Nc1cccc(c1)O[*:1]
[NH3+][C@H](c1ccc(-c2ccccc2)cc1)[C@H]1CSCCS1 c1ccc(cc1)[*:1] [NH3+][C@H](c1ccc(cc1)[*:1])[C@H]1CSCCS1
CCOC(=O)N1CCC(NC(=O)Nc2cccc(OCC#N)c2)CC1 N#CC[*:1] CCOC(=O)N1CCC(CC1)NC(=O)Nc1cccc(c1)O[*:1]
CCOC(=O)N1CCC(NC(=O)Nc2cccc(OCC#N)c2)CC1 N#CCO[*:1] CCOC(=O)N1CCC(CC1)NC(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cnc(NCCCN2CCOCC2)nc1C CC(=O)[*:1] Cc1nc(ncc1[*:1])NCCCN1CCOCC1
CC(=O)c1cnc(NCCCN2CCOCC2)nc1C C1CN(CCO1)[*:1] CC(=O)c1cnc(nc1C)NCCC[*:1]
CCC[C@H](N[C@@H]1CC[C@H]([NH3+])C1)c1cccs1 CCC[*:1] [NH3+][C@H]1CC[C@H](C1)N[C@H](c1cccs1)[*:1]
CCC[C@H](N[C@@H]1CC[C@H]([NH3+])C1)c1cccs1 c1csc(c1)[*:1] CCC[C@H](N[C@@H]1CC[C@H]([NH3+])C1)[*:1]
CCNC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1 CCNC(=O)[*:1] O=C(NCc1ccccc1F)c1ccc(cc1)NC[*:1]
CCNC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1 CCNC(=O)CN[*:1] O=C(NCc1ccccc1F)c1ccc(cc1)[*:1]
CCNC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1 CCNC(=O)C[*:1] O=C(NCc1ccccc1F)c1ccc(cc1)N[*:1]
CCNC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1 Fc1ccccc1C[*:1] CCNC(=O)CNc1ccc(cc1)C(=O)N[*:1]
CCNC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1 Fc1ccccc1[*:1] CCNC(=O)CNc1ccc(cc1)C(=O)NC[*:1]
O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)N[*:1]
O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)NC[*:1]
CCNC(=O)C[C@@H](C[NH3+])N1CCO[C@H]2CCCC[C@@H]21 CCNC(=O)C[*:1] [NH3+]C[C@@H](N1CCO[C@H]2CCCC[C@@H]21)[*:1]
CCNC(=O)C[C@@H](C[NH3+])N1CCO[C@H]2CCCC[C@@H]21 CCNC(=O)[*:1] [NH3+]C[C@H](C[*:1])N1CCO[C@H]2CCCC[C@@H]21
CCC[NH2+][C@@H]1COC[C@@H]1c1nc2ccc(Cl)cc2s1 CCC[*:1] Clc1ccc2nc(sc2c1)[C@H]1COC[C@H]1[NH2+][*:1]
Cc1ccc(O[C@@H](C)C(=O)NC2CC2)c(C[NH2+]C(C)C)n1 C1CC1[*:1] Cc1ccc(O[C@@H](C)C(=O)N[*:1])c(C[NH2+]C(C)C)n1
Cc1ccc(O[C@@H](C)C(=O)NC2CC2)c(C[NH2+]C(C)C)n1 CC(C)[*:1] Cc1ccc(O[C@@H](C)C(=O)NC2CC2)c(C[NH2+][*:1])n1
Cc1ccc(O[C@@H](C)C(=O)NC2CC2)c(C[NH2+]C(C)C)n1 O=C(NC1CC1)[*:1] Cc1ccc(O[C@@H](C)[*:1])c(C[NH2+]C(C)C)n1
CCCOc1ccc([C@H](O)C[NH3+])cc1 CCC[*:1] [NH3+]C[C@@H](O)c1ccc(cc1)O[*:1]
CCCOc1ccc([C@H](O)C[NH3+])cc1 CCCO[*:1] [NH3+]C[C@@H](O)c1ccc(cc1)[*:1]
Cc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1cnccn1 Fc1ccc(cc1)[*:1] Cc1ccccc1[C@@H](C(=O)N[*:1])N(Cc1ccc(F)cc1)C(=O)c1cnccn1
Cc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1cnccn1 c1cnc(cn1)[*:1] Cc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)[*:1]
Cc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1cnccn1 Fc1ccc(cc1)C[*:1] Cc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(C(=O)c1cnccn1)[*:1]
Cc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1cnccn1 Cc1ccccc1[*:1] O=C(Nc1ccc(F)cc1)[C@@H](N(Cc1ccc(F)cc1)C(=O)c1cnccn1)[*:1]
Cc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1cnccn1 Fc1ccc(cc1)[*:1] Cc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(C[*:1])C(=O)c1cnccn1
Cc1ccccc1[C@@H](C(=O)Nc1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1cnccn1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccccc1[C@@H](N(Cc1ccc(F)cc1)C(=O)c1cnccn1)[*:1]
O=C1CCC[C@@H]1CCN1C(=O)CCc2cc(F)ccc21 O=C1CCC[C@H]1[*:1] O=C1CCc2cc(F)ccc2N1CC[*:1]
O=C([O-])[C@@H]1CSc2ccccc21 O=C([O-])[*:1] c1ccc2c(c1)SC[C@H]2[*:1]
COc1cccc(C[C@H](C(=O)c2ccc(O)cc2)c2ccccc2)c1 Oc1ccc(cc1)[*:1] COc1cccc(c1)C[C@H](C(=O)[*:1])c1ccccc1
COc1cccc(C[C@H](C(=O)c2ccc(O)cc2)c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(c1ccc(O)cc1)[C@@H](C[*:1])c1ccccc1
COc1cccc(C[C@H](C(=O)c2ccc(O)cc2)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C[C@H](C(=O)c1ccc(O)cc1)[*:1]
Cc1nc(CCC[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cs1 FC(F)(F)[*:1] Cc1nc(cs1)CCC[NH+]1CCN(CC1)[C@@H](C)[*:1]
Cc1nc(CCC[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cs1 C[C@@H](C(F)(F)F)[*:1] Cc1nc(cs1)CCC[NH+]1CCN(CC1)[*:1]
Cc1nc(CCC[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cs1 Cc1nc(cs1)[*:1] C[C@H](N1CC[NH+](CCC[*:1])CC1)C(F)(F)F
Cc1nc(CCC[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cs1 Cc1nc(cs1)C[*:1] C[C@H](N1CC[NH+](CC1)CC[*:1])C(F)(F)F
CCCc1nn(C)c2c1nc(CCl)n2CC(=O)NCC CCNC(=O)C[*:1] CCCc1nn(C)c2c1nc(CCl)n2[*:1]
CCCc1nn(C)c2c1nc(CCl)n2CC(=O)NCC CCNC(=O)[*:1] CCCc1nn(C)c2c1nc(CCl)n2C[*:1]
CCCc1nn(C)c2c1nc(CCl)n2CC(=O)NCC CCC[*:1] CCNC(=O)Cn1c(CCl)nc2c(nn(C)c21)[*:1]
C[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1Sc1ccccc1C Cc1ccccc1[*:1] C[NH2+][C@@H]1c2cc(ccc2C[C@@H]1S[*:1])OC
C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(Cn1ccc(n1)[N+](=O)[O-])Nc1ccccc1C(=O)N[*:1]
C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 O=[N+]([O-])c1ccn(n1)[*:1] C[C@@H](NC(=O)c1ccccc1NC(=O)C[*:1])c1ccccc1
C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 O=[N+]([O-])c1ccn(C[*:1])n1 C[C@@H](NC(=O)c1ccccc1NC(=O)[*:1])c1ccccc1
C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1ccc(n1)[*:1])c1ccccc1
C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1ccc(n1)[N+](=O)[O-])[*:1]
C[NH2+][C@@H](Cc1nccs1)c1ccccc1F c1csc(n1)[*:1] C[NH2+][C@@H](C[*:1])c1ccccc1F
CNC(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@H](C)C3 CNC(=O)CS[*:1] CC(C)CCn1c(nc2sc3C[C@@H](C)CCc3c2c1=O)[*:1]
CNC(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@H](C)C3 CC(C)C[*:1] CNC(=O)CSc1nc2sc3C[C@@H](C)CCc3c2c(=O)n1C[*:1]
CNC(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@H](C)C3 CNC(=O)C[*:1] CC(C)CCn1c(nc2sc3C[C@@H](C)CCc3c2c1=O)S[*:1]
CNC(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@H](C)C3 CC(C)[*:1] CNC(=O)CSc1nc2sc3C[C@@H](C)CCc3c2c(=O)n1CC[*:1]
CNC(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@H](C)C3 CC(C)CC[*:1] CNC(=O)CSc1nc2sc3C[C@@H](C)CCc3c2c(=O)n1[*:1]
CNC(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CC[C@H](C)C3 CNC(=O)[*:1] CC(C)CCn1c(nc2sc3C[C@@H](C)CCc3c2c1=O)SC[*:1]
O=C(c1ccccc1)[C@H](c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccccc1)[C@H]([C@@H](C(=O)[O-])c1ccccc1)[*:1]
O=C(c1ccccc1)[C@H](c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccccc1)[C@H](c1ccccc1)[C@@H](C(=O)[O-])[*:1]
O=C(c1ccccc1)[C@H](c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] O=C(c1ccccc1)[C@H](c1ccccc1)[C@@H](c1ccccc1)[*:1]
O=C(c1ccccc1)[C@H](c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 O=C(c1ccccc1)[*:1] O=C([O-])[C@@H](c1ccccc1)[C@@H](c1ccccc1)[*:1]
O=C(c1ccccc1)[C@H](c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@@H](c1ccccc1)[C@H](C(=O)[*:1])c1ccccc1
CC(C)c1ccc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C(C)C)c1 CC(C)[*:1] CC(C)c1ccc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(c1)[*:1]
CC(C)c1ccc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C(C)C)c1 CC(C)[*:1] CC(C)c1cc(ccc1C(=O)Cn1cnc2c(cnn2C)c1=O)[*:1]
C[C@H]1CN(C(=O)c2cc3ccoc3n2[C@H](C)c2ccccc2)CCN1C(=O)C(C)(C)C c1ccc(cc1)[*:1] C[C@H]1CN(CCN1C(=O)C(C)(C)C)C(=O)c1cc2ccoc2n1[C@H](C)[*:1]
C[C@H]1CN(C(=O)c2cc3ccoc3n2[C@H](C)c2ccccc2)CCN1C(=O)C(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(CCN1C(=O)[*:1])C(=O)c1cc2ccoc2n1[C@H](C)c1ccccc1
C[C@H]1CN(C(=O)c2cc3ccoc3n2[C@H](C)c2ccccc2)CCN1C(=O)C(C)(C)C C[C@H](c1ccccc1)[*:1] C[C@H]1CN(CCN1C(=O)C(C)(C)C)C(=O)c1cc2ccoc2n1[*:1]
C[C@@H](Oc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)cn1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(cn1)C(=O)Nc1nc(cs1)CN1CCOCC1)[*:1]
C[C@@H](Oc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)cn1)c1ccccc1 C[C@@H](O[*:1])c1ccccc1 O=C(Nc1nc(cs1)CN1CCOCC1)c1ccc(nc1)[*:1]
C[C@@H](Oc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)cn1)c1ccccc1 C1CN(CCO1)C[*:1] C[C@@H](Oc1ccc(cn1)C(=O)Nc1nc(cs1)[*:1])c1ccccc1
C[C@@H](Oc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)cn1)c1ccccc1 C1CN(CCO1)[*:1] C[C@@H](Oc1ccc(cn1)C(=O)Nc1nc(cs1)C[*:1])c1ccccc1
COc1ccc([C@@H](C)Nc2cncc(-n3ccnc3C)n2)cc1OC Cc1nccn1[*:1] COc1ccc(cc1OC)[C@@H](C)Nc1cncc(n1)[*:1]
COc1cc(C)ccc1NC(=O)[C@H](C)NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] COc1cc(C)ccc1NC(=O)[C@H](C)NC(=O)N[*:1]
Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)s1 Cc1ccc(s1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCO[C@]2(CCSC2)C1
CCC[C@H](C)C[C@@H]([NH2+]CC)c1ncc[nH]1 c1c[nH]c(n1)[*:1] CCC[C@H](C)C[C@@H]([NH2+]CC)[*:1]
CCC[C@H](C)C[C@@H]([NH2+]CC)c1ncc[nH]1 CCC[*:1] CC[NH2+][C@H](C[C@@H](C)[*:1])c1ncc[nH]1
CCC[C@H](C)C[C@@H]([NH2+]CC)c1ncc[nH]1 CCC[C@H](C)[*:1] CC[NH2+][C@H](C[*:1])c1ncc[nH]1
C[C@H](O)CNC(=O)[C@H]1CC[C@H](C[NH3+])O1 C[C@H](O)C[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)N[*:1]
C[C@H](O)CNC(=O)[C@H]1CC[C@H](C[NH3+])O1 C[C@H](O)[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)NC[*:1]
O=C1O[C@@]2(c3ccccc31)[C@@H](c1ccccc1)CC(=O)N2Cc1ccccc1 c1ccc(cc1)[*:1] O=C1O[C@@]2(c3ccccc31)[C@@H](CC(=O)N2Cc1ccccc1)[*:1]
O=C1O[C@@]2(c3ccccc31)[C@@H](c1ccccc1)CC(=O)N2Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1O[C@@]2(c3ccccc31)[C@H](CC(=O)N2[*:1])c1ccccc1
O=C1O[C@@]2(c3ccccc31)[C@@H](c1ccccc1)CC(=O)N2Cc1ccccc1 c1ccc(cc1)[*:1] O=C1O[C@@]2(c3ccccc31)[C@H](CC(=O)N2C[*:1])c1ccccc1
C=C(C)C[NH+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 C=C(C)C[*:1] CC[NH+](Cc1cc(cc2COCOc21)[N+](=O)[O-])[*:1]
C=C(C)C[NH+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 C=C(C)[*:1] CC[NH+](Cc1cc(cc2COCOc21)[N+](=O)[O-])C[*:1]
C=C(C)C[NH+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 O=[N+]([O-])[*:1] C=C(C)C[NH+](CC)Cc1cc(cc2COCOc21)[*:1]
NS(=O)(=O)c1ccc(OCC[NH+]2CCOc3ccccc3C2)cc1 NS(=O)(=O)[*:1] c1ccc2OCC[NH+](CCOc3ccc(cc3)[*:1])Cc2c1
CCc1cccc(C)c1NC(=O)CCC(=O)N(CC)CC CCN(CC)C(=O)[*:1] CCc1cccc(C)c1NC(=O)CC[*:1]
COC(=O)[C@@]1(N)CC[C@@H](Oc2ccc(C)cc2OC)C1 COC(=O)[*:1] COc1cc(C)ccc1O[C@@H]1CC[C@](N)(C1)[*:1]
O=C(c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1)N1CCc2n[nH]cc2C1 C1CCC(CC1)[*:1] O=C(c1ccc2c(c1)n(CC1CC1)c(=O)n2[*:1])N1CCc2n[nH]cc2C1
O=C(c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1)N1CCc2n[nH]cc2C1 C1CC1C[*:1] O=C(c1ccc2c(c1)n(c(=O)n2C1CCCCC1)[*:1])N1CCc2n[nH]cc2C1
O=C(c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1)N1CCc2n[nH]cc2C1 C1CC1[*:1] O=C(c1ccc2c(c1)n(C[*:1])c(=O)n2C1CCCCC1)N1CCc2n[nH]cc2C1
CC[C@@H](C)NC(=O)c1cccc(NC(=O)C[NH+]2CCCCCC2)c1 CC[C@@H](C)NC(=O)[*:1] O=C(C[NH+]1CCCCCC1)Nc1cccc(c1)[*:1]
CC[C@@H](C)NC(=O)c1cccc(NC(=O)C[NH+]2CCCCCC2)c1 CC[C@@H](C)[*:1] O=C(C[NH+]1CCCCCC1)Nc1cccc(c1)C(=O)N[*:1]
O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O)N[*:1]
O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O)NC(C1CC1)[*:1]
COC(=O)c1cc([C@@H]2NC(=O)c3c(Cl)cccc3N2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])[C@@H]1NC(=O)c2c(Cl)cccc2N1
CCC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] CCC[*:1] O=C([O-])[C@H](Oc1ccc(cc1)-c1ccccc1)[*:1]
CCC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] c1ccc(cc1)[*:1] CCC[C@@H](Oc1ccc(cc1)[*:1])C(=O)[O-]
CCC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] O=C([O-])[*:1] CCC[C@@H](Oc1ccc(cc1)-c1ccccc1)[*:1]
N#Cc1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1 Fc1ccccc1[*:1] N#Cc1cccc(c1)C(=O)N1CCN(CC1)C[*:1]
N#Cc1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1 Fc1ccccc1C[*:1] N#Cc1cccc(c1)C(=O)N1CCN(CC1)[*:1]
N#Cc1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1 N#Cc1cccc(c1)[*:1] O=C(N1CCN(CC1)Cc1ccccc1F)[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1 CC(C)n1nnnc1[*:1] O=C(NCc1nc2ccccc2[nH]1)c1cccc(c1)OC[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1 CC(C)[*:1] O=C(NCc1nc2ccccc2[nH]1)c1cccc(c1)OCc1nnnn1[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1 CC(C)n1nnnc1C[*:1] O=C(NCc1nc2ccccc2[nH]1)c1cccc(c1)O[*:1]
CC(C)n1nnnc1COc1cccc(C(=O)NCc2nc3ccccc3[nH]2)c1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)n1nnnc1COc1cccc(c1)C(=O)NC[*:1]
Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)NCc1ccco1 O=C(C[*:1])NCc1ccco1 Cc1nn(-c2ccc(nn2)N2CCOCC2)c(C)c1C[*:1]
Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)NCc1ccco1 c1coc(c1)C[*:1] Cc1nn(-c2ccc(nn2)N2CCOCC2)c(C)c1CCC(=O)N[*:1]
Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)NCc1ccco1 C1CN(CCO1)[*:1] Cc1nn(-c2ccc(nn2)[*:1])c(C)c1CCC(=O)NCc1ccco1
Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)NCc1ccco1 c1coc(c1)[*:1] Cc1nn(-c2ccc(nn2)N2CCOCC2)c(C)c1CCC(=O)NC[*:1]
Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)NCc1ccco1 O=C(NCc1ccco1)[*:1] Cc1nn(-c2ccc(nn2)N2CCOCC2)c(C)c1CC[*:1]
CCc1nn(C)cc1C[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C CCc1nn(C)cc1[*:1] C[C@H]1[C@H](CC(=O)N1Cc1ccccc1)[NH2+]C[*:1]
CCc1nn(C)cc1C[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C c1ccc(cc1)[*:1] CCc1nn(C)cc1C[NH2+][C@H]1CC(=O)N(C[*:1])[C@H]1C
CCc1nn(C)cc1C[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C c1ccc(cc1)C[*:1] CCc1nn(C)cc1C[NH2+][C@H]1CC(=O)N([C@H]1C)[*:1]
Cc1nc(C)c(C(=O)N[C@@H](c2ccccc2)[C@@H]2C[C@@H]2C)o1 Cc1nc(C)c(o1)[*:1] C[C@H]1C[C@H]1[C@@H](NC(=O)[*:1])c1ccccc1
Cc1nc(C)c(C(=O)N[C@@H](c2ccccc2)[C@@H]2C[C@@H]2C)o1 C[C@H]1C[C@H]1[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1nc(C)c(C(=O)N[C@@H](c2ccccc2)[C@@H]2C[C@@H]2C)o1 c1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H]([C@@H]1C[C@@H]1C)[*:1]
Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccnc1 c1cncc(c1)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1cc(Cl)cc(Cl)c1
Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccnc1 Clc1cc(Cl)cc(c1)[*:1] Cn1c(nnc1-c1cccnc1)SCC(=O)N[*:1]
CC(C)CS(=O)(=O)[N-]c1ccc(Cl)cc1F CC(C)C[*:1] O=S(=O)([N-]c1ccc(Cl)cc1F)[*:1]
CC(C)CS(=O)(=O)[N-]c1ccc(Cl)cc1F CC(C)[*:1] O=S(=O)(C[*:1])[N-]c1ccc(Cl)cc1F
CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(c1)[*:1]
CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(-n2cccc2)c1 CC(C)(C)[*:1] N#C[C@@H](NC(=O)c1cccc(c1)-n1cccc1)[*:1]
Cn1cc[nH+]c1N[C@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cn1cc[nH+]c1N[C@H]1CCCCC[C@H]1[*:1]
NC(=O)[C@@H]1COCCN1C(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] NC(=O)[C@@H]1COCCN1C(=O)c1ccc(cc1)[*:1]
NC(=O)[C@@H]1COCCN1C(=O)c1ccc(-n2ccnn2)cc1 NC(=O)[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CCOC[C@H]1[*:1]
Cc1nnc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)s1 Cc1nnc(s1)[*:1] O=c1[nH]c(CN2CCN(CC2)[*:1])nc2ccccc12
C[C@H]1CC[C@H](CCC(=O)O[C@@H](C)c2ccccc2N(C)C)O1 CN(C)[*:1] C[C@H]1CC[C@H](CCC(=O)O[C@@H](C)c2ccccc2[*:1])O1
Cc1cscc1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 Cc1cscc1[*:1] O=C(CCc1ccccc1)N1CC[C@@H](C1)NC(=O)[*:1]
Cc1cscc1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1cscc1C(=O)N[C@H]1CCN(C1)C(=O)CC[*:1]
Cc1cscc1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)C[*:1] Cc1cscc1C(=O)N[C@H]1CCN(C1)C(=O)C[*:1]
Cc1cscc1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] Cc1cscc1C(=O)N[C@H]1CCN(C1)C(=O)[*:1]
CCc1cc2c(=O)[nH]c(-c3cccc(C(=O)NCc4ccco4)c3)nc2s1 c1coc(c1)[*:1] CCc1cc2c(=O)[nH]c(nc2s1)-c1cccc(c1)C(=O)NC[*:1]
CCc1cc2c(=O)[nH]c(-c3cccc(C(=O)NCc4ccco4)c3)nc2s1 c1coc(c1)C[*:1] CCc1cc2c(=O)[nH]c(nc2s1)-c1cccc(c1)C(=O)N[*:1]
CCc1cc2c(=O)[nH]c(-c3cccc(C(=O)NCc4ccco4)c3)nc2s1 O=C(NCc1ccco1)[*:1] CCc1cc2c(=O)[nH]c(nc2s1)-c1cccc(c1)[*:1]
COc1cc(F)c(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)cc1OC C1CO[C@@H](C1)[*:1] COc1cc(F)c(cc1OC)S(=O)(=O)N[C@H](C)[*:1]
CC(C)N(C)C(=O)N[C@H](c1nccs1)C1CC1 CC(C)[*:1] CN(C(=O)N[C@H](c1nccs1)C1CC1)[*:1]
CC(C)N(C)C(=O)N[C@H](c1nccs1)C1CC1 C1CC1[*:1] CC(C)N(C)C(=O)N[C@H](c1nccs1)[*:1]
CC(C)N(C)C(=O)N[C@H](c1nccs1)C1CC1 c1csc(n1)[*:1] CC(C)N(C)C(=O)N[C@H](C1CC1)[*:1]
Cc1nc(CCC(=O)N[C@H](C)C2CCCCC2)oc1-c1ccccc1 C[C@H](C1CCCCC1)[*:1] Cc1nc(CCC(=O)N[*:1])oc1-c1ccccc1
Cc1nc(CCC(=O)N[C@H](C)C2CCCCC2)oc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(CCC(=O)N[C@H](C)C2CCCCC2)oc1[*:1]
Cc1nc(CCC(=O)N[C@H](C)C2CCCCC2)oc1-c1ccccc1 C1CCC(CC1)[*:1] Cc1nc(CCC(=O)N[C@H](C)[*:1])oc1-c1ccccc1
Cc1cnc(CNC(=O)c2cc(-c3ccccc3)on2)cn1 Cc1cnc(cn1)[*:1] O=C(NC[*:1])c1cc(on1)-c1ccccc1
Cc1cnc(CNC(=O)c2cc(-c3ccccc3)on2)cn1 c1ccc(cc1)[*:1] Cc1cnc(cn1)CNC(=O)c1cc(on1)[*:1]
CCO[C@@H](C)c1noc(CNC(=O)N2CCCC[C@@H]2C)n1 CCO[C@@H](C)[*:1] C[C@H]1CCCCN1C(=O)NCc1nc(no1)[*:1]
CCO[C@@H](C)c1noc(CNC(=O)N2CCCC[C@@H]2C)n1 CCO[*:1] C[C@H]1CCCCN1C(=O)NCc1nc(no1)[C@H](C)[*:1]
CCOC(=O)c1c(NC(=O)[C@H](Br)CC)sc2c1CCCCC2 CC[C@@H](Br)C(=O)N[*:1] CCOC(=O)c1c(sc2CCCCCc21)[*:1]
CCOC(=O)c1c(NC(=O)[C@H](Br)CC)sc2c1CCCCC2 CCOC(=O)[*:1] CC[C@@H](Br)C(=O)Nc1sc2CCCCCc2c1[*:1]
CCOC(=O)C[C@@H](C)[C@H]1CCCN(c2ncnc3nc(N)ccc23)C1 CCOC(=O)C[C@@H](C)[*:1] Nc1ccc2c(ncnc2n1)N1CCC[C@@H](C1)[*:1]
CCOC(=O)C[C@@H](C)[C@H]1CCCN(c2ncnc3nc(N)ccc23)C1 CCOC(=O)[*:1] C[C@H](C[*:1])[C@H]1CCCN(C1)c1ncnc2nc(N)ccc12
CCOC(=O)C[C@@H](C)[C@H]1CCCN(c2ncnc3nc(N)ccc23)C1 CCOC(=O)C[*:1] C[C@@H]([C@H]1CCCN(C1)c1ncnc2nc(N)ccc12)[*:1]
CCc1cc(C(=O)OC)c(NC(=O)c2cccc3ccccc23)s1 COC(=O)[*:1] CCc1cc(c(NC(=O)c2cccc3ccccc23)s1)[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)c3sccc3S(=O)(=O)N3CCCCC3)c2)n1 O=S(=O)(N1CCCCC1)[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)c1sccc1[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)c3sccc3S(=O)(=O)N3CCCCC3)c2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1cccc(c1)[*:1])c1sccc1S(=O)(=O)N1CCCCC1
Cc1ccc(F)c(C(=O)N(C)[C@@H](C)CC#N)c1 N#CC[*:1] Cc1ccc(F)c(c1)C(=O)N(C)[C@@H](C)[*:1]
Cc1ccc(F)c(C(=O)N(C)[C@@H](C)CC#N)c1 C[C@@H](CC#N)[*:1] Cc1ccc(F)c(c1)C(=O)N(C)[*:1]
CCCCc1ccc2c(N)c(C#N)sc2n1 CCC[*:1] N#Cc1sc2nc(ccc2c1N)C[*:1]
CCCCc1ccc2c(N)c(C#N)sc2n1 CCCC[*:1] N#Cc1sc2nc(ccc2c1N)[*:1]
Cc1ccc(OCCC(N)=O)c(C[NH2+]C2CC2)n1 NC(=O)C[*:1] Cc1ccc(OC[*:1])c(C[NH2+]C2CC2)n1
Cc1ccc(OCCC(N)=O)c(C[NH2+]C2CC2)n1 NC(=O)CCO[*:1] Cc1ccc(c(C[NH2+]C2CC2)n1)[*:1]
Cc1ccc(OCCC(N)=O)c(C[NH2+]C2CC2)n1 NC(=O)[*:1] Cc1ccc(OCC[*:1])c(C[NH2+]C2CC2)n1
Cc1ccc(OCCC(N)=O)c(C[NH2+]C2CC2)n1 NC(=O)CC[*:1] Cc1ccc(O[*:1])c(C[NH2+]C2CC2)n1
Cc1ccc(OCCC(N)=O)c(C[NH2+]C2CC2)n1 C1CC1[*:1] Cc1ccc(OCCC(N)=O)c(C[NH2+][*:1])n1
Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@H](C)C(=O)NC3CCCCC3)CC1)O2 O=C(NC1CCCCC1)[*:1] Cc1ccc2O[C@@]3(CCC(=O)N(CC3)[C@H](C)[*:1])CC(=O)c2c1
Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@H](C)C(=O)NC3CCCCC3)CC1)O2 C1CCC(CC1)[*:1] Cc1ccc2O[C@@]3(CCC(=O)N(CC3)[C@H](C)C(=O)N[*:1])CC(=O)c2c1
C/C(=C/C(=O)NCc1nnc(C)n1C)c1cccc(C(F)(F)F)c1 Cc1nnc(C[*:1])n1C C/C(=C/C(=O)N[*:1])c1cccc(c1)C(F)(F)F
C/C(=C/C(=O)NCc1nnc(C)n1C)c1cccc(C(F)(F)F)c1 Cc1nnc(n1C)[*:1] C/C(=C/C(=O)NC[*:1])c1cccc(c1)C(F)(F)F
C/C(=C/C(=O)NCc1nnc(C)n1C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C/C(=C/C(=O)NCc1nnc(C)n1C)c1cccc(c1)[*:1]
Cc1cc(C)c2c(/N=C\c3ccc(N(C)C)cc3)n[nH]c2n1 CN(C)[*:1] Cc1cc(C)c2c(/N=C\c3ccc(cc3)[*:1])n[nH]c2n1
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nc(C)c(C)s1)[C@@H]3c1ccc(F)cc1 Cc1nc(sc1C)[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N([C@@H]3c1ccc(F)cc1)[*:1]
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nc(C)c(C)s1)[C@@H]3c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nc(C)c(C)s1)[C@H]3[*:1]
COc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@@H](C)NC(=O)[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3nnc(C4CCC4)s3)CC2=O)cc1 C1CC(C1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3nnc(C4CCC4)s3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)C1CCC1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCOCC(F)(F)F)N[C@@H]1C[C@H]1c1cccc(Cl)c1 FC(F)(F)CO[*:1] O=C(NCC[*:1])N[C@@H]1C[C@H]1c1cccc(Cl)c1
O=C(NCCOCC(F)(F)F)N[C@@H]1C[C@H]1c1cccc(Cl)c1 FC(F)(F)C[*:1] O=C(NCCO[*:1])N[C@@H]1C[C@H]1c1cccc(Cl)c1
O=C(NCCOCC(F)(F)F)N[C@@H]1C[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCCOCC(F)(F)F)N[C@@H]1C[C@@H]1[*:1]
O=C(NCCOCC(F)(F)F)N[C@@H]1C[C@H]1c1cccc(Cl)c1 FC(F)(F)[*:1] O=C(NCCOC[*:1])N[C@@H]1C[C@H]1c1cccc(Cl)c1
O=C(NCCOCC(F)(F)F)N[C@@H]1C[C@H]1c1cccc(Cl)c1 FC(F)(F)COC[*:1] O=C(NC[*:1])N[C@@H]1C[C@H]1c1cccc(Cl)c1
CCn1ccnc(Nc2ccc(N[C@H](C)c3ccccc3)cc2)c1=O C[C@H](c1ccccc1)[*:1] CCn1ccnc(Nc2ccc(cc2)N[*:1])c1=O
CCn1ccnc(Nc2ccc(N[C@H](C)c3ccccc3)cc2)c1=O c1ccc(cc1)[*:1] CCn1ccnc(Nc2ccc(cc2)N[C@H](C)[*:1])c1=O
CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)CC1 c1cn(cn1)[*:1] CC1CC[NH+](CC1)Cc1ccc(cc1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cc2)CC1 O=[N+]([O-])[*:1] CC1CC[NH+](CC1)Cc1ccc(cc1)NC(=O)c1ccc(c(c1)[*:1])-n1ccnc1
O=C(CN1CC[NH+](CC2CCCCC2)CC1)NCC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC1)CC1CCCCC1)NCC(=O)[*:1]
O=C(CN1CC[NH+](CC2CCCCC2)CC1)NCC(=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(CN1CC[NH+](CC1)CC1CCCCC1)NC[*:1]
O=C(CN1CC[NH+](CC2CCCCC2)CC1)NCC(=O)c1ccccc1 C1CCC(CC1)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])NCC(=O)c1ccccc1
O=C(CN1CC[NH+](CC2CCCCC2)CC1)NCC(=O)c1ccccc1 C1CCC(CC1)C[*:1] O=C(CN1CC[NH+](CC1)[*:1])NCC(=O)c1ccccc1
CC(=O)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CC(=O)NCC(=O)O[C@@H](C(=O)[*:1])c1ccc(Cl)cc1
CC(=O)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)NCC(=O)O[C@@H](C(=O)c1ccccc1)[*:1]
CC(=O)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 CC(=O)NC[*:1] O=C(c1ccccc1)[C@H](OC(=O)[*:1])c1ccc(Cl)cc1
CC(=O)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 CC(=O)N[*:1] O=C(C[*:1])O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1
CC(=O)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 O=C(c1ccccc1)[*:1] CC(=O)NCC(=O)O[C@@H](c1ccc(Cl)cc1)[*:1]
CC(=O)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 CC(=O)NCC(=O)O[*:1] O=C(c1ccccc1)[C@@H](c1ccc(Cl)cc1)[*:1]
C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc([N-]S(C)(=O)=O)c1 Clc1ccc(cn1)[*:1] C[C@H]([NH2+]C[*:1])c1cccc(c1)[N-]S(C)(=O)=O
CC(C)Oc1ccc([C@@H](C)Nc2cc(C(F)(F)F)nc3ncnn23)cc1 CC(C)O[*:1] C[C@@H](Nc1cc(nc2ncnn12)C(F)(F)F)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@@H](C)Nc2cc(C(F)(F)F)nc3ncnn23)cc1 CC(C)[*:1] C[C@@H](Nc1cc(nc2ncnn12)C(F)(F)F)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@@H](C)Nc2cc(C(F)(F)F)nc3ncnn23)cc1 FC(F)(F)[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)Nc1cc(nc2ncnn12)[*:1]
O=C(Nc1ccc(Cl)c2ncsc12)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(Cl)c2ncsc12)[*:1]
C[NH2+][C@H]1CCN(CCOc2ccccc2)[C@H](C)[C@H]1C c1ccc(cc1)[*:1] C[NH2+][C@H]1CCN(CCO[*:1])[C@H](C)[C@H]1C
Cc1nc2ccc(N(C)C(=O)Cc3ccc[nH]3)cc2s1 c1c[nH]c(c1)[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)C[*:1]
Cc1nc2ccc(N(C)C(=O)Cc3ccc[nH]3)cc2s1 c1c[nH]c(c1)C[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)[*:1]
NC(=O)C1CCN(C(=O)Cn2nc(-c3cccs3)ccc2=O)CC1 NC(=O)[*:1] O=C(Cn1nc(ccc1=O)-c1cccs1)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)Cn2nc(-c3cccs3)ccc2=O)CC1 c1csc(c1)[*:1] NC(=O)C1CCN(CC1)C(=O)Cn1nc(ccc1=O)[*:1]
COCCc1noc(CN(C)Cc2c(F)cccc2F)n1 COC[*:1] CN(Cc1nc(C[*:1])no1)Cc1c(F)cccc1F
COCCc1noc(CN(C)Cc2c(F)cccc2F)n1 COCC[*:1] CN(Cc1nc(no1)[*:1])Cc1c(F)cccc1F
CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc([N-]S(C)(=O)=O)n1 Clc1ccc(C[*:1])s1 CCN(C(=O)Cc1csc(n1)[N-]S(C)(=O)=O)[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc([N-]S(C)(=O)=O)n1 Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)Cc1csc(n1)[N-]S(C)(=O)=O
[NH3+][C@@]1(C(=O)[O-])CC[C@H](Sc2cccs2)C1 c1csc(c1)[*:1] [NH3+][C@]1(CC[C@@H](C1)S[*:1])C(=O)[O-]
[NH3+][C@@]1(C(=O)[O-])CC[C@H](Sc2cccs2)C1 O=C([O-])[*:1] [NH3+][C@]1(CC[C@@H](C1)Sc1cccs1)[*:1]
CN([C@@H]1CCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1F CS(=O)(=O)[*:1] CN([C@@H]1CCC[C@H]1[*:1])S(=O)(=O)c1ccc(F)cc1F
CSC[C@H](C)C(=O)Nc1ccc(F)c(NC(C)=O)c1 CSC[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)[C@@H](C)[*:1]
CSC[C@H](C)C(=O)Nc1ccc(F)c(NC(C)=O)c1 CSC[C@H](C)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)[*:1]
CSC[C@H](C)C(=O)Nc1ccc(F)c(NC(C)=O)c1 CC(=O)N[*:1] CSC[C@H](C)C(=O)Nc1ccc(F)c(c1)[*:1]
COc1cc(Br)c([C@@H]2CC[NH2+][C@H]2C(=O)[O-])cc1OC O=C([O-])[*:1] COc1cc(Br)c(cc1OC)[C@@H]1CC[NH2+][C@@H]1[*:1]
CCO[C@@H]1C[C@H](NC(=O)CCn2cnc3c(C)cccc3c2=O)C12CCCCC2 CCO[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)N[C@H]1C[C@H](C12CCCCC2)[*:1]
CC(=O)N(C)c1cccc(NC(=O)Cc2ccon2)c1 c1cc(no1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)C[*:1]
CC(=O)N(C)c1cccc(NC(=O)Cc2ccon2)c1 c1cc(C[*:1])no1 CC(=O)N(C)c1cccc(c1)NC(=O)[*:1]
CC(=O)N(C)c1cccc(NC(=O)Cc2ccon2)c1 CC(=O)N(C)[*:1] O=C(Cc1ccon1)Nc1cccc(c1)[*:1]
Cc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)n(n1)-c1ncnc2c1cnn2[*:1]
Cc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 c1ccc2c(c[nH]c2c1)[*:1] Cc1cc(NC(=O)C(=O)[*:1])n(n1)-c1ncnc2c1cnn2-c1ccc(F)cc1
COC(=O)c1ccc(CSc2nnc(N)n2C(C)C)o1 CC(C)[*:1] COC(=O)c1ccc(CSc2nnc(N)n2[*:1])o1
COC(=O)c1ccc(CSc2nnc(N)n2C(C)C)o1 COC(=O)[*:1] CC(C)n1c(N)nnc1SCc1ccc(o1)[*:1]
O=C(Nc1nc2c(s1)COCC2)N[C@@H](CCCO)c1ccccc1 OCC[*:1] O=C(Nc1nc2CCOCc2s1)N[C@@H](C[*:1])c1ccccc1
O=C(Nc1nc2c(s1)COCC2)N[C@@H](CCCO)c1ccccc1 OCCC[*:1] O=C(Nc1nc2CCOCc2s1)N[C@@H](c1ccccc1)[*:1]
O=C(Nc1nc2c(s1)COCC2)N[C@@H](CCCO)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nc2CCOCc2s1)N[C@@H](CCCO)[*:1]
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(CCC[NH+](C)C)c1nc2ccc(Br)cc2s1 Brc1ccc2nc(sc2c1)[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(CCC[NH+](C)C)[*:1]
CCN1CCO[C@H](C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 C1CC1[*:1] CCN1CCO[C@@H](C1)C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CCN1CCO[C@H](C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 CCN1CCO[C@H](C1)[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
CCN1CCO[C@H](C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 FC(F)(F)[*:1] CCN1CCO[C@@H](C1)C(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1
Cc1ccc(C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)C(=O)C(=O)N([C@H]1CCSC1)[*:1]
Cc1ccc(C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)C(=O)C(=O)N(C[*:1])[C@H]1CCSC1
Cc1ccc(C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 Cc1ccc(cc1)[*:1] O=C(C(=O)[*:1])N(C[C@@H]1CCCO1)[C@H]1CCSC1
C[C@H](CC(=O)Nc1nc(-c2ccccc2F)cs1)NC(=O)C1CCCC1 Fc1ccccc1[*:1] C[C@H](CC(=O)Nc1nc(cs1)[*:1])NC(=O)C1CCCC1
C[C@H](CC(=O)Nc1nc(-c2ccccc2F)cs1)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H](CC(=O)Nc1nc(cs1)-c1ccccc1F)NC(=O)[*:1]
C[C@H](CC(=O)Nc1nc(-c2ccccc2F)cs1)NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 C[C@H](CC(=O)Nc1nc(cs1)-c1ccccc1F)[*:1]
C[C@H](Sc1ccccc1Cl)C(=O)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] C[C@H](Sc1ccccc1Cl)C(=O)N[C@H](CO)[*:1]
C[C@H](Sc1ccccc1Cl)C(=O)N[C@H](CO)c1ccco1 Clc1ccccc1[*:1] C[C@H](S[*:1])C(=O)N[C@H](CO)c1ccco1
C[C@H](CCc1cccc(F)c1)C(=O)N1CCCC[C@@H]1CC(N)=O Fc1cccc(c1)[*:1] C[C@H](CC[*:1])C(=O)N1CCCC[C@@H]1CC(N)=O
C[C@H](CCc1cccc(F)c1)C(=O)N1CCCC[C@@H]1CC(N)=O NC(=O)C[*:1] C[C@H](CCc1cccc(F)c1)C(=O)N1CCCC[C@H]1[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)N1CCCC[C@@H]1CC(N)=O NC(=O)[*:1] C[C@H](CCc1cccc(F)c1)C(=O)N1CCCC[C@@H]1C[*:1]
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccccc1 Fc1ccccc1C[*:1] N#C/C(=C/c1ccc(cc1)O[*:1])C(=O)NCc1ccccc1
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccccc1 Fc1ccccc1[*:1] N#C/C(=C/c1ccc(cc1)OC[*:1])C(=O)NCc1ccccc1
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccccc1 Fc1ccccc1CO[*:1] N#C/C(=C/c1ccc(cc1)[*:1])C(=O)NCc1ccccc1
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C/c1ccc(cc1)OCc1ccccc1F)C(=O)NC[*:1]
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] N#C/C(=C/c1ccc(cc1)OCc1ccccc1F)C(=O)N[*:1]
CCN(Cc1ccoc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 c1cc(co1)C[*:1] CCN(C(=O)N[C@H]1C[C@@H]1c1ccccc1)[*:1]
CCN(Cc1ccoc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1ccoc1)C(=O)N[C@H]1C[C@H]1[*:1]
CCN(Cc1ccoc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 c1cc(co1)[*:1] CCN(C[*:1])C(=O)N[C@H]1C[C@@H]1c1ccccc1
C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(C(=O)N(C)C)cc2)C1 CN(C)C(=O)[*:1] C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(cc2)[*:1])C1
C[C@@H]1CN(CCC2([NH3+])CCC2)C[C@@H](C)S1 [NH3+]C1(CCC1)[*:1] C[C@@H]1CN(CC[*:1])C[C@@H](C)S1
COC(=O)[C@]1([NH3+])CCC[C@@H](SC2COC2)C1 C1OCC1[*:1] COC(=O)[C@]1([NH3+])CCC[C@H](C1)S[*:1]
COC(=O)[C@]1([NH3+])CCC[C@@H](SC2COC2)C1 C1OCC1S[*:1] COC(=O)[C@]1([NH3+])CCC[C@@H](C1)[*:1]
COC(=O)[C@]1([NH3+])CCC[C@@H](SC2COC2)C1 COC(=O)[*:1] [NH3+][C@@]1(CCC[C@H](C1)SC1COC1)[*:1]
Cc1noc(CS(=O)(=O)Cc2ccc(F)cc2Cl)n1 Cc1noc(n1)[*:1] O=S(=O)(Cc1ccc(F)cc1Cl)C[*:1]
Cc1cc(N(C)C)cc(C)c1NC(=O)N1CC[C@H](C)[C@@H](O)C1 CN(C)[*:1] Cc1cc(cc(C)c1NC(=O)N1CC[C@H](C)[C@@H](O)C1)[*:1]
CC(C)[C@@H](C)CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C CC(C)[C@@H](C)C[*:1] C[C@@H](NC(=O)[*:1])C(C)(C)C[NH+](C)C
CC(C)[C@@H](C)CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C CC(C)[*:1] C[C@@H](CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[*:1]
CC(C)[C@@H](C)CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C CC(C)[C@@H](C)[*:1] C[C@@H](NC(=O)C[*:1])C(C)(C)C[NH+](C)C
Cc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)O2)c1C NC(=O)[*:1] Cc1cccc(c1C)[C@H](C)[NH2+]C[C@H]1CC[C@H](O1)[*:1]
Cc1ccccc1[C@@H](C)CC(=O)Nc1cn(C)nc1-c1ccccc1 Cc1ccccc1[*:1] C[C@@H](CC(=O)Nc1cn(C)nc1-c1ccccc1)[*:1]
Cc1ccccc1[C@@H](C)CC(=O)Nc1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1[C@@H](C)CC(=O)Nc1cn(C)nc1[*:1]
CC(C)N1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1=O O=[N+]([O-])[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)N1CCc2ccc(cc2C1)[*:1]
CC(C)N1C[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1=O CC(C)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
C[NH+](CCn1cnnc1)Cc1cccc2[nH]ccc12 c1nncn1C[*:1] C[NH+](Cc1cccc2[nH]ccc12)C[*:1]
C[NH+](CCn1cnnc1)Cc1cccc2[nH]ccc12 c1nncn1[*:1] C[NH+](CC[*:1])Cc1cccc2[nH]ccc12
CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2=O)cc1 CCc1ccc(cc1)[*:1] COc1ccc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])c(c1)[N+](=O)[O-]
CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2=O)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1[*:1])OC
CCCn1c(=S)[nH]c2cc(C(=O)N3CC=C(c4ccccc4)CC3)ccc2c1=O c1ccc(cc1)[*:1] CCCn1c(=S)[nH]c2cc(ccc2c1=O)C(=O)N1CC=C(CC1)[*:1]
CCCn1c(=S)[nH]c2cc(C(=O)N3CC=C(c4ccccc4)CC3)ccc2c1=O CCC[*:1] O=C(c1ccc2c(=O)n(c(=S)[nH]c2c1)[*:1])N1CC=C(CC1)c1ccccc1
CCc1noc(CC)c1CC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] CCc1noc(CC)c1CC(=O)N1CCN(CC1)[C@H](C)[*:1]
CCc1noc(CC)c1CC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 C[C@H](C(=O)NC1CC1)[*:1] CCc1noc(CC)c1CC(=O)N1CCN(CC1)[*:1]
CCc1noc(CC)c1CC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 C1CC1[*:1] CCc1noc(CC)c1CC(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
CC[C@H](C)[C@@H](C)NC(=O)c1ccc(C[NH3+])o1 CC[C@H](C)[*:1] C[C@@H](NC(=O)c1ccc(C[NH3+])o1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(N3CCCNC3=O)c2)C1 O=C1NCCCN1[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(N3CCCNC3=O)c2)C1 CCO[*:1] O=C(c1cccc(c1)N1CCCNC1=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)c2cccc(N3CCCNC3=O)c2)C1 CCOC[*:1] O=C(c1cccc(c1)N1CCCNC1=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(/C=C/C(=O)N[C@H](C)C[C@H](O)c2cccs2)o1 Cc1ccc(o1)[*:1] C[C@H](C[C@H](O)c1cccs1)NC(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)N[C@H](C)C[C@H](O)c2cccs2)o1 c1csc(c1)[*:1] Cc1ccc(/C=C/C(=O)N[C@H](C)C[C@H](O)[*:1])o1
Cc1ccc(/C=C/C(=O)N[C@H](C)C[C@H](O)c2cccs2)o1 O[C@H](c1cccs1)[*:1] Cc1ccc(/C=C/C(=O)N[C@H](C)C[*:1])o1
Cc1ccc(NC(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])O2)c(F)c1 O=C([O-])[*:1] Cc1ccc(NC(=O)NC[C@@H]2CC[C@@H](O2)[*:1])c(F)c1
CC(C)CC(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 CC(C)C[*:1] O=C(c1ccc(Cl)cc1)N1CCC(CC1)[C@H](NC(=O)[*:1])C(=O)N1CCCCC1
CC(C)CC(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 CC(C)CC(=O)N[*:1] O=C(c1ccc(Cl)cc1)N1CCC(CC1)[C@@H](C(=O)N1CCCCC1)[*:1]
CC(C)CC(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC(C)CC(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(CC1)C(=O)[*:1]
CC(C)CC(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 CC(C)[*:1] O=C(C[*:1])N[C@H](C(=O)N1CCCCC1)C1CCN(CC1)C(=O)c1ccc(Cl)cc1
CC(C)CC(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 O=C(N1CCCCC1)[*:1] CC(C)CC(=O)N[C@H](C1CCN(CC1)C(=O)c1ccc(Cl)cc1)[*:1]
Cc1ccc(F)cc1NC(=O)[C@@H](C)S(=O)(=O)c1nc(C)c(C)n1CC(C)C CC(C)C[*:1] Cc1ccc(F)cc1NC(=O)[C@@H](C)S(=O)(=O)c1nc(C)c(C)n1[*:1]
Cc1ccc(F)cc1NC(=O)[C@@H](C)S(=O)(=O)c1nc(C)c(C)n1CC(C)C Cc1ccc(F)cc1[*:1] Cc1nc(n(CC(C)C)c1C)S(=O)(=O)[C@H](C)C(=O)N[*:1]
Cc1ccc(F)cc1NC(=O)[C@@H](C)S(=O)(=O)c1nc(C)c(C)n1CC(C)C CC(C)[*:1] Cc1ccc(F)cc1NC(=O)[C@@H](C)S(=O)(=O)c1nc(C)c(C)n1C[*:1]
Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1cc(COc3cccc(F)c3)[nH]n1)C2 Fc1cccc(c1)O[*:1] Cc1nc2CN(Cc2c(=O)[nH]1)C(=O)c1cc(C[*:1])[nH]n1
Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1cc(COc3cccc(F)c3)[nH]n1)C2 Fc1cccc(c1)OC[*:1] Cc1nc2CN(Cc2c(=O)[nH]1)C(=O)c1cc([nH]n1)[*:1]
Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1cc(COc3cccc(F)c3)[nH]n1)C2 Fc1cccc(c1)[*:1] Cc1nc2CN(Cc2c(=O)[nH]1)C(=O)c1cc(CO[*:1])[nH]n1
C[C@H]1CSCCN1[C@@](C)(C[NH3+])C1(C)CC1 CC1(CC1)[*:1] C[C@H]1CSCCN1[C@@](C)(C[NH3+])[*:1]
CC[C@@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)C(=O)N1CCOCC1 Clc1ccccc1O[*:1] CC[C@@H](NC(=O)[C@@H](CC)[*:1])C(=O)N1CCOCC1
CC[C@@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)C(=O)N1CCOCC1 Clc1ccccc1[*:1] CC[C@@H](NC(=O)[C@@H](CC)O[*:1])C(=O)N1CCOCC1
CC[C@@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](CC)[*:1]
Cc1ccnc(Nc2ncnc(Nc3nc(C)c(C)s3)c2N)c1 Cc1ccnc(c1)[*:1] Cc1nc(Nc2ncnc(N[*:1])c2N)sc1C
Cc1ccnc(Nc2ncnc(Nc3nc(C)c(C)s3)c2N)c1 Cc1nc(sc1C)[*:1] Cc1ccnc(c1)Nc1ncnc(N[*:1])c1N
CC(C)CN1CCO[C@H](CNC(=O)C(C)(C)N2CC[NH+](C)CC2)C1 CC(C)C[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)NC[C@@H]1CN(CCO1)[*:1]
CC(C)CN1CCO[C@H](CNC(=O)C(C)(C)N2CC[NH+](C)CC2)C1 CC(C)[*:1] C[NH+]1CCN(CC1)C(C)(C)C(=O)NC[C@@H]1CN(CCO1)C[*:1]
CC(=O)c1cc(C(=O)NC[C@H]2CC[C@H](C(=O)[O-])O2)n(C)c1 O=C([O-])[*:1] CC(=O)c1cc(C(=O)NC[C@H]2CC[C@H](O2)[*:1])n(C)c1
CC(=O)c1cc(C(=O)NC[C@H]2CC[C@H](C(=O)[O-])O2)n(C)c1 CC(=O)[*:1] Cn1cc(cc1C(=O)NC[C@H]1CC[C@@H](O1)C(=O)[O-])[*:1]
CCOc1cccc(N[C@@H]2CCOC3(CCOCC3)C2)c1 CCO[*:1] c1cc(cc(c1)[*:1])N[C@@H]1CCOC2(CCOCC2)C1
CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC CCCC[*:1] COc1ccc(Cl)cc1NC(=O)C(=O)N[*:1]
CCCCNC(=O)C(=O)Nc1cc(Cl)ccc1OC CCC[*:1] COc1ccc(Cl)cc1NC(=O)C(=O)NC[*:1]
Cc1cccc(C(=O)Nc2ccnc(-c3ccccc3)n2)c1F c1ccc(cc1)[*:1] Cc1cccc(C(=O)Nc2ccnc(n2)[*:1])c1F
CCOC(=O)C1(C(=O)Nc2cnc(-c3ccccc3)s2)CC1 CCOC(=O)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)C1(CC1)[*:1]
CCOC(=O)C1(C(=O)Nc2cnc(-c3ccccc3)s2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(CC1)C(=O)Nc1cnc(s1)[*:1]
C[C@H]([NH2+][C@H](C)C[C@@H](O)c1cccs1)c1cccnc1 c1cncc(c1)[*:1] C[C@H]([NH2+][C@H](C)C[C@@H](O)c1cccs1)[*:1]
C[C@H]([NH2+][C@H](C)C[C@@H](O)c1cccs1)c1cccnc1 c1csc(c1)[*:1] C[C@H]([NH2+][C@H](C)C[C@@H](O)[*:1])c1cccnc1
C#CCN(Cc1ccccc1Cl)C1CCCC1 C1CCC(C1)[*:1] C#CCN(Cc1ccccc1Cl)[*:1]
C#CCN(Cc1ccccc1Cl)C1CCCC1 C#CC[*:1] Clc1ccccc1CN(C1CCCC1)[*:1]
CSC(C)(C)CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl CSC(C)(C)[*:1] O=C(NC[*:1])C(=O)Nc1cc(Cl)ccc1Cl
CSC(C)(C)CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl CSC(C)(C)C[*:1] O=C(Nc1cc(Cl)ccc1Cl)C(=O)N[*:1]
O/N=C1\CCN(CCSc2ccccc2)c2ccccc21 c1ccc(cc1)S[*:1] O/N=C1\CCN(CC[*:1])c2ccccc21
O/N=C1\CCN(CCSc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] O/N=C1\CCN(CCS[*:1])c2ccccc21
CC[C@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)CC[C@@H]1c1ccccc1 CC(C)(C)c1noc(n1)[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)CC[*:1]
CC[C@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)CC[C@@H]1c1ccccc1 CC(C)(C)[*:1] CC[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)CCc1nc(no1)[*:1]
CC[C@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@H]1[*:1])C(=O)CCc1nc(no1)C(C)(C)C
COc1ccccc1NC(=O)CN1C(=O)[C@]2(SCC(=O)N2c2ccc(C)cc2)c2ccccc21 COc1ccccc1[*:1] Cc1ccc(cc1)N1C(=O)CS[C@]12C(=O)N(CC(=O)N[*:1])c1ccccc12
COc1ccccc1NC(=O)CN1C(=O)[C@]2(SCC(=O)N2c2ccc(C)cc2)c2ccccc21 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)CN1C(=O)[C@]2(SCC(=O)N2[*:1])c2ccccc21
COc1ccccc1NC(=O)CN1C(=O)[C@]2(SCC(=O)N2c2ccc(C)cc2)c2ccccc21 COc1ccccc1NC(=O)[*:1] Cc1ccc(cc1)N1C(=O)CS[C@]12C(=O)N(C[*:1])c1ccccc12
CCN(C(=O)c1sccc1C)[C@@H]1CCCC[C@H]1C Cc1ccsc1[*:1] CCN(C(=O)[*:1])[C@@H]1CCCC[C@H]1C
CC(C)n1nc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2c1=O c1ccc2sc(nc2c1)[*:1] CC(C)n1nc(C(=O)N2CCC[C@@H]2[*:1])c2ccccc2c1=O
CC(C)n1nc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2c1=O CC(C)[*:1] O=C(c1nn(c(=O)c2ccccc12)[*:1])N1CCC[C@H]1c1nc2ccccc2s1
Cc1ccc(C(=O)OCC(=O)N(C)C)cc1C CN(C)C(=O)[*:1] Cc1ccc(cc1C)C(=O)OC[*:1]
O=C(CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)N1Cc2ccccc2C1 c1ccc(cc1)[*:1] O=C(CCC[NH2+][C@@H]1CCC[C@H]1C[*:1])N1Cc2ccccc2C1
O=C(CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)N1Cc2ccccc2C1 c1ccc(cc1)C[*:1] O=C(CCC[NH2+][C@@H]1CCC[C@@H]1[*:1])N1Cc2ccccc2C1
CC[C@@H](C#N)OC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 CC[C@@H](C#N)[*:1] CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C1)C(=O)O[*:1]
CC[C@@H](C#N)OC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC[C@@H](C#N)OC(=O)[C@@H]1CCC[C@@H](C1)NC(=O)O[*:1]
COc1cc(C(=O)[O-])cc(-c2cccc(N)c2)c1 O=C([O-])[*:1] COc1cc(cc(c1)[*:1])-c1cccc(N)c1
COC(=O)c1ccc2c(=O)n([C@H]3CCCC[C@H]3C)c(=S)[nH]c2c1 COC(=O)[*:1] C[C@@H]1CCCC[C@@H]1n1c(=S)[nH]c2cc(ccc2c1=O)[*:1]
O=C(NCCS(=O)(=O)NC1CCCC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCS(=O)(=O)NC1CCCC1)[*:1]
O=C(NCCS(=O)(=O)NC1CCCC1)c1ccc(F)cc1 C1CCC(C1)[*:1] O=C(NCCS(=O)(=O)N[*:1])c1ccc(F)cc1
c1cc(COc2ccc(C[NH2+]C[C@@H]3CN4CCCC[C@@H]4CO3)cc2)ccn1 c1cc(ccn1)CO[*:1] c1cc(ccc1C[NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
c1cc(COc2ccc(C[NH2+]C[C@@H]3CN4CCCC[C@@H]4CO3)cc2)ccn1 c1cc(ccn1)C[*:1] c1cc(ccc1C[NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)O[*:1]
c1cc(COc2ccc(C[NH2+]C[C@@H]3CN4CCCC[C@@H]4CO3)cc2)ccn1 c1cc(ccn1)[*:1] c1cc(ccc1C[NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)OC[*:1]
O=C([O-])c1cc(=O)[nH]c2c(Br)cccc12 O=C([O-])[*:1] O=c1cc(c2cccc(Br)c2[nH]1)[*:1]
C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)CC(=O)N1CCOCC1 Clc1ccc(cc1)[*:1] C[C@@H](S(=O)(=O)CC(=O)N1CCOCC1)[*:1]
COC(=O)C[C@H](C)COCc1ccccc1 COC(=O)C[*:1] C[C@H](COCc1ccccc1)[*:1]
COC(=O)C[C@H](C)COCc1ccccc1 COC(=O)[*:1] C[C@H](COCc1ccccc1)C[*:1]
CCOC(=O)c1c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)c(C)n(C)c1C Cc1cccc(c1)NC(=O)[*:1] CCOC(=O)c1c(c(C)n(C)c1C)S(=O)(=O)N1CCC(CC1)[*:1]
CCOC(=O)c1c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)c(C)n(C)c1C CCOC(=O)[*:1] Cc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)c1c(c(C)n(C)c1C)[*:1]
CCOC(=O)c1c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)c(C)n(C)c1C Cc1cccc(c1)[*:1] CCOC(=O)c1c(c(C)n(C)c1C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)C[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)[O-] CC(C)[*:1] C[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](C[*:1])C(=O)[O-])[C@@H]1C
CC(C)C[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)[*:1]
CC(C)C[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)[O-] CC(C)C[*:1] C[C@@H]1CCC[C@@H](NC(=O)NC[C@H](C(=O)[O-])[*:1])[C@@H]1C
NS(=O)(=O)c1cccc(CNC(=O)CC2CCC2)c1 NS(=O)(=O)[*:1] O=C(CC1CCC1)NCc1cccc(c1)[*:1]
NS(=O)(=O)c1cccc(CNC(=O)CC2CCC2)c1 C1CC(C1)[*:1] NS(=O)(=O)c1cccc(c1)CNC(=O)C[*:1]
NS(=O)(=O)c1cccc(CNC(=O)CC2CCC2)c1 C1CC(C1)C[*:1] NS(=O)(=O)c1cccc(c1)CNC(=O)[*:1]
CC(=O)Nc1cccc(Nc2nnc(SCC(=O)c3ccc(C)cc3C)s2)c1 CC(=O)N[*:1] Cc1ccc(C(=O)CSc2nnc(Nc3cccc(c3)[*:1])s2)c(C)c1
CC(=O)Nc1cccc(Nc2nnc(SCC(=O)c3ccc(C)cc3C)s2)c1 Cc1ccc(c(C)c1)[*:1] CC(=O)Nc1cccc(c1)Nc1nnc(SCC(=O)[*:1])s1
CC[C@@H](CSC)NC(=O)NC1CCN(C(=O)CC(C)C)CC1 CSC[*:1] CC[C@@H](NC(=O)NC1CCN(CC1)C(=O)CC(C)C)[*:1]
CC[C@@H](CSC)NC(=O)NC1CCN(C(=O)CC(C)C)CC1 CC(C)C[*:1] CC[C@@H](CSC)NC(=O)NC1CCN(CC1)C(=O)[*:1]
CC[C@@H](CSC)NC(=O)NC1CCN(C(=O)CC(C)C)CC1 CC(C)[*:1] CC[C@@H](CSC)NC(=O)NC1CCN(CC1)C(=O)C[*:1]
O=C(NCCSc1ccc(Br)cc1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(NCCSc1ccc(Br)cc1)N[*:1]
O=C(NCCSc1ccc(Br)cc1)Nc1ccccc1F Brc1ccc(cc1)[*:1] O=C(NCCS[*:1])Nc1ccccc1F
CCOC(=O)CC[C@H](C)NC(=O)c1nc2nc(C)cc(C)n2n1 CCOC(=O)CC[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N[C@@H](C)[*:1]
CCOC(=O)CC[C@H](C)NC(=O)c1nc2nc(C)cc(C)n2n1 CCOC(=O)C[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N[C@@H](C)C[*:1]
CCOC(=O)CC[C@H](C)NC(=O)c1nc2nc(C)cc(C)n2n1 CCOC(=O)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N[C@@H](C)CC[*:1]
C[C@H](NC(N)=O)C(=O)N1CC=C(c2ccccc2Cl)CC1 C[C@H](NC(N)=O)[*:1] O=C(N1CC=C(CC1)c1ccccc1Cl)[*:1]
C[C@H](NC(N)=O)C(=O)N1CC=C(c2ccccc2Cl)CC1 NC(=O)N[*:1] C[C@H](C(=O)N1CC=C(CC1)c1ccccc1Cl)[*:1]
C[C@H](NC(N)=O)C(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] C[C@H](NC(N)=O)C(=O)N1CC=C(CC1)[*:1]
Cc1n[nH]c2cc(NC(=O)c3cccc(-n4nc([O-])ccc4=O)c3)ccc12 O=c1ccc([O-])nn1[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)c1cccc(c1)[*:1]
N#Cc1ccc(C[NH+](CC2CC[NH2+]CC2)C2CC2)c(F)c1 C1CC1[*:1] N#Cc1ccc(C[NH+](CC2CC[NH2+]CC2)[*:1])c(F)c1
CCOC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1 O=c1ccccn1C[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)NCc1ccc(cc1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1 O=c1ccccn1[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)NCc1ccc(cc1)C[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1 CCOC(=O)[*:1] O=C(NCc1ccc(cc1)Cn1ccccc1=O)N1CCC[C@H](C1)[*:1]
CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] CC(C)[*:1] C[NH+](C)C[C@H](NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[*:1]
CN(CC(=O)O[C@H]1CCCc2ccccc21)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)O[C@H]1CCCc2ccccc21)C(=O)[*:1]
C[NH+](CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(F)c(F)c1F Clc1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 Cc1ocnc1[*:1] O=C(NC[*:1])C(=O)Nc1cc(F)c(F)c(F)c1
Cc1ocnc1CNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 Cc1ocnc1C[*:1] O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N[*:1]
Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H]3C)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H]3C)cc2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCSc1nc2n(n1)[C@@H](c1cccc3ccccc13)C1=C(CCCC1=O)N2 CCS[*:1] O=C1CCCC2Nc3nc(nn3[C@H](C=21)c1cccc2ccccc12)[*:1]
COC(CNc1cc(-c2cncc(-c3ccc(F)cc3)c2)nc(C)n1)OC Fc1ccc(cc1)[*:1] COC(CNc1cc(nc(C)n1)-c1cncc(c1)[*:1])OC
COC(CNc1cc(-c2cncc(-c3ccc(F)cc3)c2)nc(C)n1)OC COC(OC)[*:1] Cc1nc(cc(n1)-c1cncc(c1)-c1ccc(F)cc1)NC[*:1]
COC(CNc1cc(-c2cncc(-c3ccc(F)cc3)c2)nc(C)n1)OC COC(C[*:1])OC Cc1nc(cc(n1)-c1cncc(c1)-c1ccc(F)cc1)N[*:1]
COC(CNc1cc(-c2cncc(-c3ccc(F)cc3)c2)nc(C)n1)OC COC(CN[*:1])OC Cc1nc(cc(n1)[*:1])-c1cncc(c1)-c1ccc(F)cc1
CC(C)N(C)C(=O)C1CCN(Cc2cnc(C3CCC3)s2)CC1 C1CC(C1)[*:1] CC(C)N(C)C(=O)C1CCN(CC1)Cc1cnc(s1)[*:1]
CC(C)N(C)C(=O)C1CCN(Cc2cnc(C3CCC3)s2)CC1 CC(C)N(C)C(=O)[*:1] c1nc(sc1CN1CCC(CC1)[*:1])C1CCC1
CC(C)N(C)C(=O)C1CCN(Cc2cnc(C3CCC3)s2)CC1 CC(C)[*:1] CN(C(=O)C1CCN(CC1)Cc1cnc(s1)C1CCC1)[*:1]
CN(C)c1cccc2c(S(=O)(=O)N[C@H](CO)C(=O)[O-])cccc12 CN(C)[*:1] O=C([O-])[C@@H](CO)NS(=O)(=O)c1cccc2c(cccc12)[*:1]
CN(C)c1cccc2c(S(=O)(=O)N[C@H](CO)C(=O)[O-])cccc12 O=C([O-])[*:1] CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@H](CO)[*:1]
O=C(COC(=O)c1ccc(Br)o1)Nc1nc2c(F)c(F)c(F)cc2s1 Brc1ccc(o1)[*:1] O=C(COC(=O)[*:1])Nc1nc2c(F)c(F)c(F)cc2s1
COCc1ccc(CNS(=O)(=O)c2cccc(C(N)=O)c2)cc1 NC(=O)[*:1] COCc1ccc(cc1)CNS(=O)(=O)c1cccc(c1)[*:1]
COCc1ccc(CNS(=O)(=O)c2cccc(C(N)=O)c2)cc1 COC[*:1] NC(=O)c1cccc(c1)S(=O)(=O)NCc1ccc(cc1)[*:1]
CCOC(=O)C1CCN(c2ncnc(Oc3ccc4ccccc4c3)c2[N+](=O)[O-])CC1 CCOC(=O)[*:1] O=[N+]([O-])c1c(ncnc1N1CCC(CC1)[*:1])Oc1ccc2ccccc2c1
CCOC(=O)C1CCN(c2ncnc(Oc3ccc4ccccc4c3)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc3ccccc3c2)c1[*:1]
CCOC(=O)C1CCN(c2ncnc(Oc3ccc4ccccc4c3)c2[N+](=O)[O-])CC1 c1ccc2cc(ccc2c1)[*:1] CCOC(=O)C1CCN(CC1)c1ncnc(O[*:1])c1[N+](=O)[O-]
CCOC(=O)N(C)c1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 CCOC(=O)N(C)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1C[C@@H]2C=C[C@H]1C2
CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(F)cc1OC(F)F C[C@@H](C#N)C[*:1] CCN(C(=O)Nc1ccc(F)cc1OC(F)F)[*:1]
CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(F)cc1OC(F)F FC(F)[*:1] CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(F)cc1O[*:1]
CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(F)cc1OC(F)F FC(F)O[*:1] CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(F)cc1[*:1]
CCOC[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 CCOC[*:1] O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 CCO[*:1] O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@@H](C1)C[*:1]
CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 Clc1ccc(cc1)C[*:1] CCc1ccccc1NC(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 CCc1ccccc1[*:1] O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)N[*:1]
CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 Clc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2ccccc21
CC[C@@H](C)n1ccc(C[C@H]([NH3+])c2cncc(Br)c2)n1 CC[C@@H](C)[*:1] [NH3+][C@@H](Cc1ccn(n1)[*:1])c1cncc(Br)c1
Nc1c(C(=O)[C@H]2CCCN2C(=O)c2cccnc2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Nc1c(cnn1[*:1])C(=O)[C@H]1CCCN1C(=O)c1cccnc1
Nc1c(C(=O)[C@H]2CCCN2C(=O)c2cccnc2)cnn1-c1ccccc1 c1cncc(c1)[*:1] Nc1c(cnn1-c1ccccc1)C(=O)[C@H]1CCCN1C(=O)[*:1]
CC[C@@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)[*:1]
CC[C@@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)c1cnn(C)c1 O=S1CCN(CC1)[*:1] CC[C@@H]([NH2+]CC(C)(C)[*:1])c1cnn(C)c1
COCCN1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 COC[*:1] N#CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C[*:1])C2=O)cc1
COCCN1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 c1ccc(cc1)[*:1] COCCN1C(=O)/C(=C/c2ccc(cc2)OCC#N)SC1=N[*:1]
COCCN1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 N#CC[*:1] COCCN1C(=O)/C(=C/c2ccc(cc2)O[*:1])S/C1=N\c1ccccc1
COCCN1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 N#CCO[*:1] COCCN1C(=O)/C(=C/c2ccc(cc2)[*:1])S/C1=N\c1ccccc1
COCCN1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 COCC[*:1] N#CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C2=O)[*:1])cc1
C[C@H](NC(=O)[C@@H](C)N1CCN(CC(N)=O)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)N1CCN(CC1)CC(N)=O)[*:1]
C[C@H](NC(=O)[C@@H](C)N1CCN(CC(N)=O)CC1)c1ccc(F)cc1 NC(=O)C[*:1] C[C@H](NC(=O)[C@@H](C)N1CCN(CC1)[*:1])c1ccc(F)cc1
C[C@H](NC(=O)[C@@H](C)N1CCN(CC(N)=O)CC1)c1ccc(F)cc1 NC(=O)[*:1] C[C@H](NC(=O)[C@@H](C)N1CCN(CC1)C[*:1])c1ccc(F)cc1
OCc1cc(Cl)ccc1OC(F)(F)F FC(F)(F)[*:1] OCc1cc(Cl)ccc1O[*:1]
CC(=O)N(c1nnc(SCc2c(C)noc2C)s1)C1CC1 Cc1noc(C)c1[*:1] CC(=O)N(c1nnc(SC[*:1])s1)C1CC1
CC(=O)N(c1nnc(SCc2c(C)noc2C)s1)C1CC1 C1CC1[*:1] CC(=O)N(c1nnc(SCc2c(C)noc2C)s1)[*:1]
CC(=O)N(c1nnc(SCc2c(C)noc2C)s1)C1CC1 CC(=O)N(C1CC1)[*:1] Cc1noc(C)c1CSc1nnc(s1)[*:1]
COc1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccn1 c1coc(c1)[*:1] COc1cc(ccn1)CNC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
COc1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccn1 c1coc(c1)C[*:1] COc1cc(ccn1)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccn1 COc1cc(ccn1)[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1 CS(=O)(=O)[*:1] O=C(Nc1ccc(Cl)cc1)c1cccc(c1)[*:1]
C[C@H](c1ccccc1F)N(C(=O)NCc1ccc(C#N)cc1F)C1CC1 C1CC1[*:1] C[C@H](c1ccccc1F)N(C(=O)NCc1ccc(C#N)cc1F)[*:1]
C[C@H](c1ccccc1F)N(C(=O)NCc1ccc(C#N)cc1F)C1CC1 Fc1ccccc1[*:1] C[C@H](N(C(=O)NCc1ccc(C#N)cc1F)C1CC1)[*:1]
Cc1ccsc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 Clc1ccc(s1)[*:1] Cc1ccsc1C(=O)Nc1nc(cs1)[*:1]
Cc1ccsc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 Cc1ccsc1[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)s1)[*:1]
Cc1ccc(N2CCC[C@H](NC(=O)c3cnn(C(C)C)c3C)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)N[C@H]1CCCN(C1=O)[*:1]
Cc1ccc(N2CCC[C@H](NC(=O)c3cnn(C(C)C)c3C)C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)N1CCC[C@H](NC(=O)c2cnn(c2C)[*:1])C1=O
C[C@H]1CN(C(=O)/C=C/c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)C[C@H](C)O1 Clc1ccccc1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)/C=C/c1ccc(cc1)S(=O)(=O)[N-][*:1]
Cc1nnc(CN(C)C(=O)NCc2ccc(F)c(Cl)c2)n1C Cc1nnc(n1C)[*:1] CN(C[*:1])C(=O)NCc1ccc(F)c(Cl)c1
CCN(C(=O)Nc1cccc(C)c1C)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)Nc1cccc(C)c1C)[*:1]
CC(=O)N1CCC[C@@H]1c1cncc(CCC(=O)N(C)C)n1 CN(C)C(=O)C[*:1] CC(=O)N1CCC[C@@H]1c1cncc(C[*:1])n1
CC(=O)N1CCC[C@@H]1c1cncc(CCC(=O)N(C)C)n1 CN(C)C(=O)CC[*:1] CC(=O)N1CCC[C@@H]1c1cncc(n1)[*:1]
CC(=O)N1CCC[C@@H]1c1cncc(CCC(=O)N(C)C)n1 CN(C)C(=O)[*:1] CC(=O)N1CCC[C@@H]1c1cncc(CC[*:1])n1
CCOC(=O)[C@H]1CCCN(CN2CCCCC2=O)C1 CCOC(=O)[*:1] O=C1CCCCN1CN1CCC[C@@H](C1)[*:1]
CN(C)/C=C(/Cl)C=[N+](C)C CN(C)[*:1] C[N+](C)=CC(Cl)=C[*:1]
C#CCn1c(CCCNC(=O)c2ccc(Br)cc2)nc2ccccc21 C#CC[*:1] O=C(NCCCc1nc2ccccc2n1[*:1])c1ccc(Br)cc1
C#CCn1c(CCCNC(=O)c2ccc(Br)cc2)nc2ccccc21 Brc1ccc(cc1)[*:1] C#CCn1c(CCCNC(=O)[*:1])nc2ccccc21
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C)C1 Cc1cc(F)ccc1[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)C(=O)N[*:1]
CSc1ccc([N+](=O)[O-])c(C(=O)N2CCOC(C)(C)C2)c1 O=[N+]([O-])[*:1] CSc1ccc(c(c1)C(=O)N1CCOC(C)(C)C1)[*:1]
Cn1cc(COC(=O)c2cc(C#N)cn2C)cn1 Cn1cc(cn1)[*:1] Cn1cc(C#N)cc1C(=O)OC[*:1]
O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-c1nnc2CCCCCn21)N[*:1]
C[C@H](N[C@H](C(N)=O)c1ccccc1)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@H](N[C@H](C(N)=O)c1ccccc1)c1nc2ccccc2n1[*:1]
C[C@H](N[C@H](C(N)=O)c1ccccc1)c1nc2ccccc2n1C(F)F c1ccc(cc1)[*:1] C[C@H](N[C@H](C(N)=O)[*:1])c1nc2ccccc2n1C(F)F
C[C@H](N[C@H](C(N)=O)c1ccccc1)c1nc2ccccc2n1C(F)F NC(=O)[*:1] C[C@H](N[C@H](c1ccccc1)[*:1])c1nc2ccccc2n1C(F)F
CC(C)(C)N(CC(=O)[O-])c1cccc(C#N)n1 CC(C)(C)[*:1] N#Cc1cccc(n1)N(CC(=O)[O-])[*:1]
CC(C)(C)N(CC(=O)[O-])c1cccc(C#N)n1 O=C([O-])C[*:1] CC(C)(C)N(c1cccc(C#N)n1)[*:1]
CC(C)(C)N(CC(=O)[O-])c1cccc(C#N)n1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])c1cccc(C#N)n1
Cc1ccc2c(NC(=O)c3ccc(F)cc3)ccnc2c1C Fc1ccc(cc1)[*:1] Cc1ccc2c(ccnc2c1C)NC(=O)[*:1]
COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)Nc1ccccc1 O=[N+]([O-])[*:1] COc1ccc(cc1O[C@@H](C)C(=O)Nc1ccccc1)[*:1]
COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1O[C@@H](C)C(=O)N[*:1])[N+](=O)[O-]
C=CCOc1ccc(C(=O)N[C@H]2CC[C@@H](SC)C2)cc1 C=CCO[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)[*:1]
C=CCOc1ccc(C(=O)N[C@H]2CC[C@@H](SC)C2)cc1 C=CC[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)O[*:1]
COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C(C)(C)C)on1 CC(C)(C)[*:1] COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1cc(on1)[*:1]
COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C(C)(C)C)on1 COc1ccccc1C[*:1] CC(C)(C)c1cc(no1)NC(=O)C(=O)N1CCC[C@@H]1[*:1]
COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C(C)(C)C)on1 COc1ccccc1[*:1] CC(C)(C)c1cc(no1)NC(=O)C(=O)N1CCC[C@@H]1C[*:1]
COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C(C)(C)C)on1 CC(C)(C)c1cc(no1)[*:1] COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)N[*:1]
CSCC[C@@H](C)N(C)C(=O)c1oc(C)nc1C CSC[*:1] Cc1nc(C)c(o1)C(=O)N(C)[C@H](C)C[*:1]
CSCC[C@@H](C)N(C)C(=O)c1oc(C)nc1C CSCC[*:1] Cc1nc(C)c(o1)C(=O)N(C)[C@H](C)[*:1]
CN(C(=O)N(CC(=O)[O-])C(C)(C)C)C1CCCCCC1 CC(C)(C)[*:1] CN(C(=O)N(CC(=O)[O-])[*:1])C1CCCCCC1
CN(C(=O)N(CC(=O)[O-])C(C)(C)C)C1CCCCCC1 O=C([O-])C[*:1] CN(C(=O)N(C(C)(C)C)[*:1])C1CCCCCC1
CN(C(=O)N(CC(=O)[O-])C(C)(C)C)C1CCCCCC1 O=C([O-])[*:1] CN(C(=O)N(C[*:1])C(C)(C)C)C1CCCCCC1
C#CCn1/c(=N/C(=O)c2ccccc2F)sc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] C#CCn1/c(=N/C(=O)c2ccccc2F)sc2ccc(cc21)[*:1]
C#CCn1/c(=N/C(=O)c2ccccc2F)sc2ccc([N+](=O)[O-])cc21 C#CC[*:1] O=C(/N=c1\sc2ccc(cc2n1[*:1])[N+](=O)[O-])c1ccccc1F
C#CCn1/c(=N/C(=O)c2ccccc2F)sc2ccc([N+](=O)[O-])cc21 Fc1ccccc1[*:1] C#CCn1/c(=N/C(=O)[*:1])sc2ccc(cc21)[N+](=O)[O-]
Cc1n[nH]c2ncc(NC(=O)NCCc3cccc([N+](=O)[O-])c3)cc12 O=[N+]([O-])[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NCCc1cccc(c1)[*:1]
COCCCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 COCC[*:1] N#Cc1ccc(cc1)C[NH+]1CCCN(CC1)C[*:1]
COCCCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 COC[*:1] N#Cc1ccc(cc1)C[NH+]1CCCN(CC1)CC[*:1]
COCCCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 COCCC[*:1] N#Cc1ccc(cc1)C[NH+]1CCCN(CC1)[*:1]
Cc1ccccc1[C@@H]1CCCN1C(=O)NC[C@@H](C)C(=O)OC(C)C CC(C)OC(=O)[*:1] Cc1ccccc1[C@@H]1CCCN1C(=O)NC[C@@H](C)[*:1]
Cc1ccccc1[C@@H]1CCCN1C(=O)NC[C@@H](C)C(=O)OC(C)C CC(C)[*:1] Cc1ccccc1[C@@H]1CCCN1C(=O)NC[C@@H](C)C(=O)O[*:1]
Cc1ccccc1[C@@H]1CCCN1C(=O)NC[C@@H](C)C(=O)OC(C)C CC(C)OC(=O)[C@H](C)[*:1] Cc1ccccc1[C@@H]1CCCN1C(=O)NC[*:1]
Cc1ccccc1[C@@H]1CCCN1C(=O)NC[C@@H](C)C(=O)OC(C)C Cc1ccccc1[*:1] CC(C)OC(=O)[C@H](C)CNC(=O)N1CCC[C@H]1[*:1]
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCCOC2=O)cc1 c1ccc(cc1)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1ccc(cc1)N1CCCOC1=O
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCCOC2=O)cc1 O=C1OCCCN1[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)c1ccc(cc1)[*:1]
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCCOC2=O)cc1 c1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1ccc(cc1)N1CCCOC1=O
CC[C@@H]1C(=O)NCCN1C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1 CC(=O)[*:1] CC[C@@H]1C(=O)NCCN1C(=O)C1C[C@@H](N(N=1)c1ccccc1)[*:1]
CC[C@@H]1C(=O)NCCN1C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1 c1ccc(cc1)[*:1] CC[C@@H]1C(=O)NCCN1C(=O)C1C[C@@H](C(C)=O)N(N=1)[*:1]
NS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@H]2C2CCCCC2)cc1 NS(=O)(=O)[*:1] O=C(CCc1ccc(cc1)[*:1])N1CCC[C@@H]1C1CCCCC1
NS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@H]2C2CCCCC2)cc1 C1CCC(CC1)[*:1] NS(=O)(=O)c1ccc(cc1)CCC(=O)N1CCC[C@H]1[*:1]
O=C(CCNC(=O)c1cncc2cnccc12)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCNC(=O)c1cncc2cnccc12)N[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@@H](C)Sc2ccccn2)s1 c1ccc(nc1)[*:1] Cc1nc(C)c(s1)[C@@H](C)N(C)C(=O)[C@@H](C)S[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@@H](C)Sc2ccccn2)s1 c1ccc(nc1)S[*:1] Cc1nc(C)c(s1)[C@@H](C)N(C)C(=O)[C@@H](C)[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@@H](C)Sc2ccccn2)s1 Cc1nc(C)c(s1)[*:1] C[C@@H](Sc1ccccn1)C(=O)N(C)[C@H](C)[*:1]
Cc1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)s1 Cc1cnc(s1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
Cc1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)s1 Brc1ccc(s1)[*:1] Cc1cnc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])s1
COc1ccc(CC(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)[C@H](C)O3)cc1 COc1ccc(cc1)C[*:1] C[C@@H]1Oc2ccc(cc2CN(CCc2ccc(F)cc2)C1=O)NC(=O)[*:1]
COc1ccc(CC(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)[C@H](C)O3)cc1 COc1ccc(cc1)[*:1] C[C@@H]1Oc2ccc(cc2CN(CCc2ccc(F)cc2)C1=O)NC(=O)C[*:1]
COc1ccc(CC(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)[C@H](C)O3)cc1 Fc1ccc(cc1)CC[*:1] COc1ccc(cc1)CC(=O)Nc1ccc2O[C@@H](C)C(=O)N(Cc2c1)[*:1]
COc1ccc(CC(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)[C@H](C)O3)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc2O[C@@H](C)C(=O)N(CC[*:1])Cc2c1
COc1ccc(CC(=O)Nc2ccc3c(c2)CN(CCc2ccc(F)cc2)C(=O)[C@H](C)O3)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)CC(=O)Nc1ccc2O[C@@H](C)C(=O)N(Cc2c1)C[*:1]
C[NH+](CCNCc1cc(C#N)cs1)C1CCCC1 C1CCC(C1)[*:1] C[NH+](CCNCc1cc(C#N)cs1)[*:1]
Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H](C)CCCC(C)C)C2=O CC(C)C[*:1] Cc1ccc2C(=O)N(CC(=O)N[C@@H](C)CC[*:1])C(=O)c2c1
Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H](C)CCCC(C)C)C2=O CC(C)CC[*:1] Cc1ccc2C(=O)N(CC(=O)N[C@@H](C)C[*:1])C(=O)c2c1
Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H](C)CCCC(C)C)C2=O CC(C)CCC[*:1] Cc1ccc2C(=O)N(CC(=O)N[C@@H](C)[*:1])C(=O)c2c1
Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H](C)CCCC(C)C)C2=O CC(C)CCC[C@H](C)[*:1] Cc1ccc2C(=O)N(CC(=O)N[*:1])C(=O)c2c1
Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H](C)CCCC(C)C)C2=O CC(C)[*:1] Cc1ccc2C(=O)N(CC(=O)N[C@@H](C)CCC[*:1])C(=O)c2c1
CC(=O)C1=C(C)Oc2ncn3nc(-c4cccs4)nc3c2[C@@H]1c1ccco1 c1csc(c1)[*:1] CC(=O)C1=C(C)Oc2ncn3nc(nc3c2[C@@H]1c1ccco1)[*:1]
CC(=O)C1=C(C)Oc2ncn3nc(-c4cccs4)nc3c2[C@@H]1c1ccco1 c1coc(c1)[*:1] CC(=O)C1=C(C)Oc2ncn3nc(nc3c2[C@H]1[*:1])-c1cccs1
CC(=O)C1=C(C)Oc2ncn3nc(-c4cccs4)nc3c2[C@@H]1c1ccco1 CC(=O)[*:1] CC1Oc2ncn3nc(nc3c2[C@@H](C=1[*:1])c1ccco1)-c1cccs1
COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccc(F)cc1 O=C1NC(=O)C(=C[*:1])S1 COc1cc(ccc1OCc1ccc(F)cc1)[*:1]
COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cc(/C=C2\SC(=O)NC2=O)ccc1OC[*:1]
COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COc1cc(/C=C2\SC(=O)NC2=O)ccc1O[*:1]
CCc1ccc([C@@H](CO)NC(=O)c2cnn(-c3ccccc3)c2C)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)[C@@H](CO)NC(=O)c1cnn(c1C)[*:1]
CCc1ccc([C@@H](CO)NC(=O)c2cnn(-c3ccccc3)c2C)cc1 CCc1ccc(cc1)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N[C@H](CO)[*:1]
CCn1cc(C(=O)N(C)C[C@@H]2CCCO2)cn1 C1CO[C@@H](C1)[*:1] CCn1cc(cn1)C(=O)N(C)C[*:1]
Cc1cc2oc(=O)cc(CSCC(=O)N(C)Cc3ccc(F)cc3)c2cc1C Fc1ccc(cc1)[*:1] Cc1cc2oc(=O)cc(CSCC(=O)N(C)C[*:1])c2cc1C
Cc1cc2oc(=O)cc(CSCC(=O)N(C)Cc3ccc(F)cc3)c2cc1C Fc1ccc(cc1)C[*:1] Cc1cc2oc(=O)cc(CSCC(=O)N(C)[*:1])c2cc1C
CCC(=O)Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C CCC(=O)N[*:1] Cc1nn(-c2ccc(cc2)[N+](=O)[O-])c(C)c1[*:1]
CCC(=O)Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C O=[N+]([O-])[*:1] CCC(=O)Nc1c(C)nn(-c2ccc(cc2)[*:1])c1C
CC(C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C CC(C)[*:1] C[C@H](C[NH2+][*:1])C(=O)OC(C)(C)C
CC(C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)[NH2+]C[C@@H](C)C(=O)O[*:1]
CC(=O)c1cccc(N[C@H](C)C(=O)Nc2c(F)cccc2F)c1 CC(=O)[*:1] C[C@@H](Nc1cccc(c1)[*:1])C(=O)Nc1c(F)cccc1F
O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccncc1 C1CO[C@@H](C1)[*:1] O=C(NNC(=S)NC[*:1])c1ccncc1
O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccncc1 C1CO[C@@H](C1)C[*:1] O=C(NNC(=S)N[*:1])c1ccncc1
O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NNC(=S)NC[C@@H]1CCCO1)[*:1]
O=C(/C=C/c1c(F)cccc1F)NNC(=O)Cn1nnc(-c2ccccc2)n1 Fc1cccc(F)c1[*:1] O=C(C=C[*:1])NNC(=O)Cn1nnc(n1)-c1ccccc1
O=C(/C=C/c1c(F)cccc1F)NNC(=O)Cn1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(/C=C/c1c(F)cccc1F)NNC(=O)Cn1nnc(n1)[*:1]
Cc1ccccc1Cn1nc(C)c(NC(=O)c2cccc(C#N)c2)c1C Cc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)c1cccc(C#N)c1
Cc1ccccc1Cn1nc(C)c(NC(=O)c2cccc(C#N)c2)c1C N#Cc1cccc(c1)[*:1] Cc1ccccc1Cn1nc(C)c(NC(=O)[*:1])c1C
Cc1ccccc1Cn1nc(C)c(NC(=O)c2cccc(C#N)c2)c1C Cc1ccccc1C[*:1] Cc1nn(c(C)c1NC(=O)c1cccc(C#N)c1)[*:1]
CC(C)(C)C(=O)NCCC(=O)NCc1cc(Cl)c2c(c1)OCCO2 CC(C)(C)C(=O)N[*:1] O=C(CC[*:1])NCc1cc(Cl)c2OCCOc2c1
CC(C)(C)C(=O)NCCC(=O)NCc1cc(Cl)c2c(c1)OCCO2 CC(C)(C)[*:1] O=C(CCNC(=O)[*:1])NCc1cc(Cl)c2OCCOc2c1
CC(C)(C)C(=O)NCCC(=O)NCc1cc(Cl)c2c(c1)OCCO2 CC(C)(C)C(=O)NC[*:1] O=C(C[*:1])NCc1cc(Cl)c2OCCOc2c1
C[NH2+][C@H](CN(C)CCS(C)(=O)=O)c1ccccc1 CS(=O)(=O)[*:1] C[NH2+][C@H](CN(C)CC[*:1])c1ccccc1
C[NH2+][C@H](CN(C)CCS(C)(=O)=O)c1ccccc1 CS(=O)(=O)C[*:1] C[NH2+][C@H](CN(C)C[*:1])c1ccccc1
C[NH2+][C@H](CN(C)CCS(C)(=O)=O)c1ccccc1 CS(=O)(=O)CC[*:1] C[NH2+][C@H](CN(C)[*:1])c1ccccc1
C[NH2+][C@H](CN(C)CCS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] C[NH2+][C@H](CN(C)CCS(C)(=O)=O)[*:1]
C=C[C@H](CC(=O)Nc1cc(C)nn1-c1ccc(C)nn1)c1ccccc1 Cc1ccc(nn1)[*:1] C=C[C@H](CC(=O)Nc1cc(C)nn1[*:1])c1ccccc1
C=C[C@H](CC(=O)Nc1cc(C)nn1-c1ccc(C)nn1)c1ccccc1 c1ccc(cc1)[*:1] C=C[C@H](CC(=O)Nc1cc(C)nn1-c1ccc(C)nn1)[*:1]
CC(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccccc1C(F)(F)F
CC(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 FC(F)(F)[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1ccccc1[*:1]
C[C@H]1CCC[C@H](CCNC(=O)c2nc(C(C)(C)C)n[nH]2)C1 CC(C)(C)[*:1] C[C@H]1CCC[C@H](CCNC(=O)c2nc(n[nH]2)[*:1])C1
C[C@H]1CCC[C@H](CCNC(=O)c2nc(C(C)(C)C)n[nH]2)C1 C[C@H]1CCC[C@H](C1)[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)NCC[*:1]
CCN[C@]1(C(=O)OC)CC[C@H](Sc2ccccc2Cl)C1 COC(=O)[*:1] CCN[C@@]1(CC[C@@H](C1)Sc1ccccc1Cl)[*:1]
CCN[C@]1(C(=O)OC)CC[C@H](Sc2ccccc2Cl)C1 CCN[*:1] COC(=O)[C@@]1(CC[C@@H](C1)Sc1ccccc1Cl)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 CN(S(C)(=O)=O)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 Clc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)N(C)S(C)(=O)=O
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 Clc1ccccc1O[*:1] C[C@@H](C(=O)Nc1cccc(c1)N(C)S(C)(=O)=O)[*:1]
O=C1NC(=O)[C@]2(CCN(C(=O)[C@H]3CCCS3)C2)N1 C1CS[C@H](C1)[*:1] O=C1NC(=O)[C@]2(CCN(C2)C(=O)[*:1])N1
Cc1noc(C)c1CC(=O)[C@H](C#N)c1nc(C(C)C)cs1 Cc1noc(C)c1[*:1] CC(C)c1csc(n1)[C@@H](C#N)C(=O)C[*:1]
Cc1noc(C)c1CC(=O)[C@H](C#N)c1nc(C(C)C)cs1 CC(C)[*:1] Cc1noc(C)c1CC(=O)[C@H](C#N)c1nc(cs1)[*:1]
CC1CCC(Nc2ccc(C(N)=O)nn2)(C(=O)[O-])CC1 O=C([O-])[*:1] CC1CCC(CC1)(Nc1ccc(nn1)C(N)=O)[*:1]
CC1CCC(Nc2ccc(C(N)=O)nn2)(C(=O)[O-])CC1 NC(=O)[*:1] CC1CCC(CC1)(Nc1ccc(nn1)[*:1])C(=O)[O-]
COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)cc1 COc1ccc(cc1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccc(C)c(Cl)c1)[*:1]
COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(Cl)c2)cc1 Cc1ccc(cc1Cl)[*:1] COc1ccc(cc1)[C@H]1NC(=O)NC(C)=C1C(=O)N[*:1]
CC(C)[C@H]1C(=O)NCCN1C(=O)CCNC(=O)c1n[nH]c2ccccc12 CC(C)[*:1] O=C(NCCC(=O)N1CCNC(=O)[C@@H]1[*:1])c1n[nH]c2ccccc12
Cc1nc(N2CCC(C(=O)NCc3ccccc3Cl)CC2)nc2cc(S(C)(=O)=O)ccc12 Clc1ccccc1C[*:1] Cc1nc(nc2cc(ccc12)S(C)(=O)=O)N1CCC(CC1)C(=O)N[*:1]
Cc1nc(N2CCC(C(=O)NCc3ccccc3Cl)CC2)nc2cc(S(C)(=O)=O)ccc12 Clc1ccccc1[*:1] Cc1nc(nc2cc(ccc12)S(C)(=O)=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1nc(N2CCC(C(=O)NCc3ccccc3Cl)CC2)nc2cc(S(C)(=O)=O)ccc12 CS(=O)(=O)[*:1] Cc1nc(nc2cc(ccc12)[*:1])N1CCC(CC1)C(=O)NCc1ccccc1Cl
Cc1nn([C@@H](C)C2CC2)c(C)c1[C@H](C)C[NH2+]C(C)C C1CC1[*:1] Cc1nn(c(C)c1[C@H](C)C[NH2+]C(C)C)[C@@H](C)[*:1]
Cc1nn([C@@H](C)C2CC2)c(C)c1[C@H](C)C[NH2+]C(C)C C[C@@H](C1CC1)[*:1] Cc1nn(c(C)c1[C@H](C)C[NH2+]C(C)C)[*:1]
Cc1nn([C@@H](C)C2CC2)c(C)c1[C@H](C)C[NH2+]C(C)C CC(C)[*:1] Cc1nn(c(C)c1[C@H](C)C[NH2+][*:1])[C@@H](C)C1CC1
COc1ccccc1NC(=O)[C@H](C)N1C(=O)N[C@]2(CCCc3sccc32)C1=O COc1ccccc1[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)N[C@]2(CCCc3sccc32)C1=O
COc1ccc([C@H]2N[C@@H](C(=O)[O-])CC3=c4ccccc4=[NH+][C@@H]32)cc1Cn1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] COc1ccc(cc1Cn1cc(cn1)[*:1])[C@H]1N[C@H](CC2=c3ccccc3=[NH+][C@@H]21)C(=O)[O-]
COc1ccc([C@H]2N[C@@H](C(=O)[O-])CC3=c4ccccc4=[NH+][C@@H]32)cc1Cn1cc([N+](=O)[O-])cn1 O=C([O-])[*:1] COc1ccc(cc1Cn1cc(cn1)[N+](=O)[O-])[C@H]1N[C@@H](CC2=c3ccccc3=[NH+][C@@H]21)[*:1]
COc1ccc([C@H]2N[C@@H](C(=O)[O-])CC3=c4ccccc4=[NH+][C@@H]32)cc1Cn1cc([N+](=O)[O-])cn1 O=[N+]([O-])c1cnn(c1)[*:1] COc1ccc(cc1C[*:1])[C@H]1N[C@H](CC2=c3ccccc3=[NH+][C@@H]21)C(=O)[O-]
COc1ccc([C@H]2N[C@@H](C(=O)[O-])CC3=c4ccccc4=[NH+][C@@H]32)cc1Cn1cc([N+](=O)[O-])cn1 O=[N+]([O-])c1cnn(c1)C[*:1] COc1ccc(cc1[*:1])[C@H]1N[C@H](CC2=c3ccccc3=[NH+][C@@H]21)C(=O)[O-]
O=C([C@H]1SCCc2sccc21)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C([C@H]1SCCc2sccc21)N1CCO[C@H](C1)[*:1]
CCC[NH2+]Cc1nnnn1Cc1cc(C)c(F)c(C)c1 CCC[*:1] Cc1cc(cc(C)c1F)Cn1nnnc1C[NH2+][*:1]
CC(C)C(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] CC(C)C(=O)N1CCC[C@H]1C(=O)[C@H](C#N)[*:1]
CC(C)C(=O)N1CCC[C@H]1C(=O)[C@H](C#N)c1ccc(F)cn1 CC(C)[*:1] N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)[*:1])c1ccc(F)cn1
O=C(NCCc1c(F)cccc1F)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(NCCc1c(F)cccc1F)Nc1ccc(cc1)CC[*:1]
O=C(NCCc1c(F)cccc1F)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=C(NCCc1c(F)cccc1F)Nc1ccc(cc1)C[*:1]
O=C(NCCc1c(F)cccc1F)Nc1ccc(CCN2CCOCC2)cc1 Fc1cccc(F)c1[*:1] O=C(NCC[*:1])Nc1ccc(cc1)CCN1CCOCC1
O=C(NCCc1c(F)cccc1F)Nc1ccc(CCN2CCOCC2)cc1 Fc1cccc(F)c1C[*:1] O=C(NC[*:1])Nc1ccc(cc1)CCN1CCOCC1
O=C(NCCc1c(F)cccc1F)Nc1ccc(CCN2CCOCC2)cc1 C1CN(CCO1)CC[*:1] O=C(NCCc1c(F)cccc1F)Nc1ccc(cc1)[*:1]
CCOc1ncccc1C(=O)O[C@H](C)C1CCOCC1 C1CC(CCO1)[*:1] CCOc1ncccc1C(=O)O[C@H](C)[*:1]
CCOc1ncccc1C(=O)O[C@H](C)C1CCOCC1 CCO[*:1] C[C@@H](OC(=O)c1cccnc1[*:1])C1CCOCC1
C=CCNC(=O)C[NH+]1CC(c2nc(-c3ncccn3)no2)C1 c1cnc(nc1)[*:1] C=CCNC(=O)C[NH+]1CC(C1)c1nc(no1)[*:1]
C=CCNC(=O)C[NH+]1CC(c2nc(-c3ncccn3)no2)C1 C=CCNC(=O)C[*:1] c1cnc(nc1)-c1noc(n1)C1C[NH+](C1)[*:1]
C=CCNC(=O)C[NH+]1CC(c2nc(-c3ncccn3)no2)C1 C=CCNC(=O)[*:1] c1cnc(nc1)-c1noc(n1)C1C[NH+](C1)C[*:1]
C=CCNC(=O)C[NH+]1CC(c2nc(-c3ncccn3)no2)C1 C=CC[*:1] O=C(C[NH+]1CC(C1)c1nc(no1)-c1ncccn1)N[*:1]
CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)CC1 CCN1CCN(CC1)S(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2c(c1)C(=O)c1ccccc1-2
CC(C)c1nc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)N1CCC[C@]2(CC=CCC2)C1)[*:1]
CCNS(=O)(=O)c1ccc(C(=O)NCc2ccnn2C)cc1 Cn1nccc1C[*:1] CCNS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CCNS(=O)(=O)c1ccc(C(=O)NCc2ccnn2C)cc1 Cn1nccc1[*:1] CCNS(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CCNS(=O)(=O)c1ccc(C(=O)NCc2ccnn2C)cc1 CCNS(=O)(=O)[*:1] Cn1nccc1CNC(=O)c1ccc(cc1)[*:1]
CS(=O)(=O)Nc1cccc(CNC(=O)CCc2ccc3c(c2)OCCO3)c1 CS(=O)(=O)N[*:1] O=C(CCc1ccc2OCCOc2c1)NCc1cccc(c1)[*:1]
C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[N-]S(C)(=O)=O C[C@@H]1CCC[C@@H]1[*:1] CS(=O)(=O)[N-]c1ccccc1C(=O)N[*:1]
COc1ccccc1NC(=O)C1CC[NH+](Cc2ncccc2C)CC1 COc1ccccc1[*:1] Cc1cccnc1C[NH+]1CCC(CC1)C(=O)N[*:1]
COc1ccccc1NC(=O)C1CC[NH+](Cc2ncccc2C)CC1 Cc1cccnc1C[*:1] COc1ccccc1NC(=O)C1CC[NH+](CC1)[*:1]
COc1ccccc1NC(=O)C1CC[NH+](Cc2ncccc2C)CC1 Cc1cccnc1[*:1] COc1ccccc1NC(=O)C1CC[NH+](CC1)C[*:1]
CCOC(=O)c1ccc(N2CCC[C@H](C(C)(C)C(=O)OC)C2)nc1 COC(=O)C(C)(C)[*:1] CCOC(=O)c1ccc(nc1)N1CCC[C@H](C1)[*:1]
CCOC(=O)c1ccc(N2CCC[C@H](C(C)(C)C(=O)OC)C2)nc1 CCOC(=O)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)c1ccc(cn1)[*:1]
CCOC(=O)c1ccc(N2CCC[C@H](C(C)(C)C(=O)OC)C2)nc1 COC(=O)[*:1] CCOC(=O)c1ccc(nc1)N1CCC[C@@H](C1)C(C)(C)[*:1]
O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)N1CCN(CC1)C[*:1]
O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)N1CCN(CC1)[*:1]
O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(Cc2ccc(Cl)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
Cc1cc(C)cc(-n2c(SC(C)C)nc3c(c2=O)SCC3)c1 CC(C)[*:1] Cc1cc(C)cc(c1)-n1c(nc2CCSc2c1=O)S[*:1]
Cc1cc(C)cc(-n2c(SC(C)C)nc3c(c2=O)SCC3)c1 CC(C)S[*:1] Cc1cc(C)cc(c1)-n1c(nc2CCSc2c1=O)[*:1]
Cc1ccccc1S(=O)(=O)/N=C(\[O-])[C@@H](NC(=O)c1ccccc1)C(C)C c1ccc(cc1)[*:1] Cc1ccccc1S(=O)(=O)/N=C(\[O-])[C@@H](NC(=O)[*:1])C(C)C
Cc1ccccc1S(=O)(=O)/N=C(\[O-])[C@@H](NC(=O)c1ccccc1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)c1ccccc1)/C([O-])=N/S(=O)(=O)[*:1]
Cc1ccccc1S(=O)(=O)/N=C(\[O-])[C@@H](NC(=O)c1ccccc1)C(C)C CC(C)[*:1] Cc1ccccc1S(=O)(=O)/N=C(\[O-])[C@@H](NC(=O)c1ccccc1)[*:1]
Cn1c(=O)c(C2=NN[C@H](c3cccs3)C2)c(O)c2ccccc21 c1csc(c1)[*:1] Cn1c(=O)c(C2C[C@@H](NN=2)[*:1])c(O)c2ccccc21
CCCN(CCC)C(=O)c1cc(C)c(C#CCN)s1 NCC#C[*:1] CCCN(CCC)C(=O)c1cc(C)c(s1)[*:1]
CCCN(CCC)C(=O)c1cc(C)c(C#CCN)s1 CCC[*:1] CCCN(C(=O)c1cc(C)c(C#CCN)s1)[*:1]
Cc1nccn1Cc1cccc(CNC(=O)N2CC[C@H](C)C[C@@H]2C)c1 Cc1nccn1C[*:1] C[C@H]1CCN(C(=O)NCc2cccc(c2)[*:1])[C@@H](C)C1
Cc1nccn1Cc1cccc(CNC(=O)N2CC[C@H](C)C[C@@H]2C)c1 Cc1nccn1[*:1] C[C@H]1CCN(C(=O)NCc2cccc(c2)C[*:1])[C@@H](C)C1
O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCc1ccccc1 c1ccc(cc1)C[*:1] O=c1[nH]c2ccc(Cl)cc2c(=O)n1CC[*:1]
O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCc1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCC[*:1]
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)c1ccc(F)cc1 c1cncc(c1)[*:1] O=C(NC[C@@H](N1CCc2ccccc21)[*:1])c1ccc(F)cc1
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)c1ccc(F)cc1 c1ccc2c(c1)CCN2[*:1] O=C(NC[C@@H](c1cccnc1)[*:1])c1ccc(F)cc1
O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)[*:1]
CCC[C@H](NC(=O)c1ccc2c(c1)nc(C)n2C)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[*:1]
CCC[C@H](NC(=O)c1ccc2c(c1)nc(C)n2C)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1ccc2c(c1)nc(C)n2C)[*:1]
Cc1noc2ncc(NC(=O)c3cccc(OCC(F)F)n3)cc12 FC(F)C[*:1] Cc1noc2ncc(cc12)NC(=O)c1cccc(n1)O[*:1]
Cc1noc2ncc(NC(=O)c3cccc(OCC(F)F)n3)cc12 FC(F)CO[*:1] Cc1noc2ncc(cc12)NC(=O)c1cccc(n1)[*:1]
Cc1noc2ncc(NC(=O)c3cccc(OCC(F)F)n3)cc12 FC(F)[*:1] Cc1noc2ncc(cc12)NC(=O)c1cccc(n1)OC[*:1]
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)Cc1ccccc1 c1ccc(cc1)C[*:1] COC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)[*:1]
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)Cc1ccccc1 COC(=O)[*:1] C[C@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)Cc1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)C[*:1]
C[C@@H](CCOc1ccccc1)C(=O)Nc1nc2c(s1)COCC2 c1ccc(cc1)O[*:1] C[C@@H](CC[*:1])C(=O)Nc1nc2CCOCc2s1
C[C@@H](CCOc1ccccc1)C(=O)Nc1nc2c(s1)COCC2 c1ccc(cc1)[*:1] C[C@@H](CCO[*:1])C(=O)Nc1nc2CCOCc2s1
O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1ccc(cc1)O[*:1]
O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1ccc(cc1)[*:1]
O=S(=O)(CCO)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] O=S(=O)(CCO)Cc1csc(n1)-c1ccc(cc1)[*:1]
O=S(=O)(CCO)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 O=S(=O)(CCO)[*:1] FC(F)(F)c1ccc(cc1)-c1nc(cs1)C[*:1]
O=S(=O)(CCO)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 OCC[*:1] O=S(=O)(Cc1csc(n1)-c1ccc(cc1)C(F)(F)F)[*:1]
O=S(=O)(CCO)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 O=S(=O)(CCO)C[*:1] FC(F)(F)c1ccc(cc1)-c1nc(cs1)[*:1]
O=C(COc1ccc(O[C@H]2CCCCNC2=O)cc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COc1ccc(cc1)O[C@H]1CCCCNC1=O)N[*:1]
NC(=O)[C@H]1COCCN1C(=O)Cc1c(Cl)cccc1Cl NC(=O)[*:1] O=C(Cc1c(Cl)cccc1Cl)N1CCOC[C@@H]1[*:1]
COC(=O)c1cccc(Br)c1O COC(=O)[*:1] Oc1c(Br)cccc1[*:1]
C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)NC(=O)NC1CC1 C1CC1[*:1] C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)NC(=O)N[*:1]
C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)NC(=O)NC1CC1 FC(F)(F)[*:1] C[C@H](N[C@H](C)c1ccccc1[*:1])C(=O)NC(=O)NC1CC1
CCc1onc(C)c1NC(=O)N[C@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] CCc1onc(C)c1NC(=O)N[C@H]1CCC[C@H](C1)[*:1]
CCC(CC)(CCO)CNC(=O)Nc1cccc(C)c1Cl OCC[*:1] CCC(CC)(CNC(=O)Nc1cccc(C)c1Cl)[*:1]
CCOC(=O)C1(C)CCN(C(=O)NC[C@H](C)Sc2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)NC[C@H](C)S[*:1]
CCOC(=O)C1(C)CCN(C(=O)NC[C@H](C)Sc2ccccc2)CC1 CCOC(=O)[*:1] C[C@@H](CNC(=O)N1CCC(C)(CC1)[*:1])Sc1ccccc1
CCOC(=O)C1(C)CCN(C(=O)NC[C@H](C)Sc2ccccc2)CC1 c1ccc(cc1)S[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)NC[C@H](C)[*:1]
CCC(=O)N1CCC[C@H](COc2ccc(C(=O)N3CCCCC3)cc2)C1 O=C(N1CCCCC1)[*:1] CCC(=O)N1CCC[C@H](COc2ccc(cc2)[*:1])C1
Cc1noc(CCC(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)n1 Cc1noc(n1)[*:1] CC1(C)CC[C@@H](CNC(=O)CC[*:1])c2ccccc21
Cc1noc(CCC(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)n1 Cc1noc(C[*:1])n1 CC1(C)CC[C@@H](CNC(=O)C[*:1])c2ccccc21
Cc1noc(CCC(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)n1 Cc1noc(CC[*:1])n1 CC1(C)CC[C@@H](CNC(=O)[*:1])c2ccccc21
Cc1ccc(OCC(=O)NS(=O)(=O)c2ccc(C)cc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)NC(=O)CO[*:1]
CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2)cc1 CCOc1ccc(cc1)[*:1] Cc1ncc(-c2ccncc2)c(n1)[C@H]1CCCN1C(=O)CC[*:1]
CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2)cc1 CCO[*:1] Cc1ncc(-c2ccncc2)c(n1)[C@H]1CCCN1C(=O)CCc1ccc(cc1)[*:1]
CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2)cc1 c1cc(ccn1)[*:1] CCOc1ccc(cc1)CCC(=O)N1CCC[C@@H]1c1nc(C)ncc1[*:1]
CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2)cc1 CCOc1ccc(cc1)C[*:1] Cc1ncc(-c2ccncc2)c(n1)[C@H]1CCCN1C(=O)C[*:1]
Cc1cc(NC(=O)N2CCC(OCC(C)C)CC2)c2ncccc2c1 CC(C)[*:1] Cc1cc(NC(=O)N2CCC(CC2)OC[*:1])c2ncccc2c1
Cc1cc(NC(=O)N2CCC(OCC(C)C)CC2)c2ncccc2c1 CC(C)CO[*:1] Cc1cc(NC(=O)N2CCC(CC2)[*:1])c2ncccc2c1
Cc1cc(NC(=O)N2CCC(OCC(C)C)CC2)c2ncccc2c1 CC(C)C[*:1] Cc1cc(NC(=O)N2CCC(CC2)O[*:1])c2ncccc2c1
CCCC(=O)Nc1ccc(CNC(=O)N2CCC(CO)CC2)cc1 CCC[*:1] O=C(NCc1ccc(cc1)NC(=O)[*:1])N1CCC(CO)CC1
CCCC(=O)Nc1ccc(CNC(=O)N2CCC(CO)CC2)cc1 CCCC(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCC(CO)CC1
C=CCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 Cc1cccc(c1)[*:1] C=CCC(=O)N1CCC[C@@H](C1)C(=O)Nc1cccc(c1)[*:1]
C=CCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 C=CC[*:1] Cc1cccc(c1)-c1cccc(c1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H](C)c1nccs1 c1csc(n1)[*:1] C[C@@H](CN1CCN(CC1)c1ccccc1)[NH2+][C@H](C)[*:1]
C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H](C)c1nccs1 c1ccc(cc1)[*:1] C[C@@H](CN1CCN(CC1)[*:1])[NH2+][C@H](C)c1nccs1
[NH3+][C@@H](Cc1cncnc1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@@H](Cc1cncnc1)[*:1]
O=S(=O)(/N=C(\[O-])CC[C@H]1CCCO1)c1ccc(F)cc1F C1CO[C@H](C1)[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])c1ccc(F)cc1F
O=S(=O)(/N=C(\[O-])CC[C@H]1CCCO1)c1ccc(F)cc1F C1CO[C@H](C1)C[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1ccc(F)cc1F
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)N1CCN(CC(F)F)CC1 FC(F)C[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)N1CCN(CC1)[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)N1CCN(CC(F)F)CC1 FC(F)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)N1CCN(CC1)C[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)N1CCN(CC(F)F)CC1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])N1CCN(CC1)CC(F)F
C1C[NH2+][C@H]([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCOC2)C1 C1COC[C@@H](C1)[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCCC[C@@H]1[NH2+][*:1]
CCC[NH2+][C@@H](C)c1cccc(O[C@H](C)CC)c1 CC[C@@H](C)O[*:1] CCC[NH2+][C@@H](C)c1cccc(c1)[*:1]
CCC[NH2+][C@@H](C)c1cccc(O[C@H](C)CC)c1 CCC[*:1] CC[C@@H](C)Oc1cccc(c1)[C@H](C)[NH2+][*:1]
CCC[NH2+][C@@H](C)c1cccc(O[C@H](C)CC)c1 CC[C@@H](C)[*:1] CCC[NH2+][C@@H](C)c1cccc(c1)O[*:1]
COc1ccc(CN2CCO[C@@]3(CCc4ccccc43)C2)s1 COc1ccc(s1)[*:1] c1ccc2c(c1)CC[C@]21CN(CCO1)C[*:1]
C=CCS(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] C=CC[*:1] Cc1ccc([N-]S(=O)(=O)[*:1])c(c1)C(=O)[O-]
C=CCS(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] O=C([O-])[*:1] C=CCS(=O)(=O)[N-]c1ccc(C)cc1[*:1]
CC[C@](C)([NH3+])C(=O)Nc1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] CC[C@](C)([NH3+])C(=O)Nc1cccc(c1)[*:1]
O=C(NCc1ccccc1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 c1ccc(cc1)C[*:1] O=C(N[*:1])N(Cc1ccc(F)cc1)C[C@@H]1CCCO1
O=C(NCc1ccccc1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(NC[*:1])N(Cc1ccc(F)cc1)C[C@@H]1CCCO1
O=C(NCc1ccccc1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 Fc1ccc(cc1)C[*:1] O=C(NCc1ccccc1)N(C[C@@H]1CCCO1)[*:1]
O=C(NCc1ccccc1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(NCc1ccccc1)N(C[C@@H]1CCCO1)C[*:1]
Cc1cccc(OCc2nc(C(=O)NC3CC3)cs2)c1C O=C(NC1CC1)[*:1] Cc1cccc(OCc2nc(cs2)[*:1])c1C
Cc1cccc(OCc2nc(C(=O)NC3CC3)cs2)c1C C1CC1[*:1] Cc1cccc(OCc2nc(cs2)C(=O)N[*:1])c1C
CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2nc3nc(C)cc(C)n3n2)C1 CCOC(=O)[*:1] Cc1cc(C)n2nc(nc2n1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
Cc1nc2n(n1)[C@H](c1ccccc1F)C1=C(C[C@H](C)CC1=O)N2 Fc1ccccc1[*:1] Cc1nc2NC3C[C@H](C)CC(=O)C=3[C@@H](n2n1)[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCC(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NCC(=O)N[*:1]
NC(=O)c1c(F)cc(Br)cc1NCCc1ccccn1 NC(=O)[*:1] Fc1cc(Br)cc(NCCc2ccccn2)c1[*:1]
NC(=O)c1c(F)cc(Br)cc1NCCc1ccccn1 c1ccc(nc1)[*:1] NC(=O)c1c(F)cc(Br)cc1NCC[*:1]
COc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2Cl)cc1C Clc1ccccc1[*:1] COc1ccc(cc1C)NC(=O)C(=O)N(C)C[*:1]
COc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2Cl)cc1C Clc1ccccc1C[*:1] COc1ccc(cc1C)NC(=O)C(=O)N(C)[*:1]
O=C(Cc1ccsc1)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 c1cc(cs1)C[*:1] O=C(NNC(=O)[*:1])c1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(Cc1ccsc1)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 c1cc(cs1)[*:1] O=C(C[*:1])NNC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(Cc1ccsc1)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Cc1ccsc1)NNC(=O)c1ccc(Cl)c(c1)[*:1]
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccccc1/C=C(\C#N)C(=O)N[*:1]
CC(C)C(=O)N1CCCc2ccc(NS(=O)(=O)C(C)C)cc21 CC(C)S(=O)(=O)N[*:1] CC(C)C(=O)N1CCCc2ccc(cc21)[*:1]
CC(C)C(=O)N1CCCc2ccc(NS(=O)(=O)C(C)C)cc21 CC(C)[*:1] CC(C)S(=O)(=O)Nc1ccc2CCCN(C(=O)[*:1])c2c1
CC(C)C(=O)N1CCCc2ccc(NS(=O)(=O)C(C)C)cc21 CC(C)[*:1] CC(C)C(=O)N1CCCc2ccc(cc21)NS(=O)(=O)[*:1]
NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)c2ccccc2O1 NC(=O)[*:1] O=S(=O)(c1cccc(F)c1)N1C[C@H](Oc2ccccc21)[*:1]
NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)c2ccccc2O1 Fc1cccc(c1)[*:1] NC(=O)[C@@H]1CN(c2ccccc2O1)S(=O)(=O)[*:1]
C[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CC[NH+](C)CC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)[*:1])[C@@H](c1cccs1)N1CC[NH+](C)CC1
C[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CC[NH+](C)CC1 c1csc(c1)[*:1] C[C@H](NC(=O)C1CCCCC1)[C@@H](N1CC[NH+](C)CC1)[*:1]
CS(=O)(=O)NC1CCN(C(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)CC1 CS(=O)(=O)N[*:1] O=C(c1cccc(c1)[C@@H]1CCC[NH2+]C1)N1CCC(CC1)[*:1]
CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2ccco2)o1 c1coc(c1)[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(o1)[*:1]
N/C(=N/O)C1(NC(=O)N[C@H]2CCOC2)CCCCCCC1 N/C(=N/O)[*:1] O=C(N[C@H]1CCOC1)NC1(CCCCCCC1)[*:1]
N/C(=N/O)C1(NC(=O)N[C@H]2CCOC2)CCCCCCC1 C1C[C@@H](CO1)[*:1] N/C(=N/O)C1(CCCCCCC1)NC(=O)N[*:1]
CC(C)(C)C[C@H](CO)NC(=O)c1cnc2ccc(F)cc2c1 CC(C)(C)C[*:1] O=C(N[C@@H](CO)[*:1])c1cnc2ccc(F)cc2c1
CC(C)(C)C[C@H](CO)NC(=O)c1cnc2ccc(F)cc2c1 CC(C)(C)[*:1] O=C(N[C@@H](CO)C[*:1])c1cnc2ccc(F)cc2c1
CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1nncn1C1CC1 CC(C)[*:1] C[C@H]1CC[C@H]([C@@H](C1)[NH2+]Cc1nncn1C1CC1)[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1nncn1C1CC1 C1CC1[*:1] CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1nncn1[*:1]
COc1ccc([C@H]2CN(c3ccccc3)C[C@H]2C(C)=O)cc1 CC(=O)[*:1] COc1ccc(cc1)[C@H]1CN(C[C@@H]1[*:1])c1ccccc1
COc1ccc([C@H]2CN(c3ccccc3)C[C@H]2C(C)=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CN(C[C@H]1C(C)=O)[*:1]
COc1cccc(C(=O)N2CCN(c3cc(CSC)ccn3)CC2)c1 COc1cccc(c1)[*:1] CSCc1ccnc(c1)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(c3cc(CSC)ccn3)CC2)c1 CSC[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)c1cc(ccn1)[*:1]
CCC[C@@](O)(C=C(C)C)c1ccccc1 CCC[*:1] CC(C)=C[C@](O)(c1ccccc1)[*:1]
CCC[C@@](O)(C=C(C)C)c1ccccc1 CC(C)=C[*:1] CCC[C@@](O)(c1ccccc1)[*:1]
CCN1CC2(CCC1=O)CC[NH+](Cc1nc(C(F)(F)F)no1)CC2 FC(F)(F)[*:1] CCN1CC2(CCC1=O)CC[NH+](CC2)Cc1nc(no1)[*:1]
C#CCCCC[NH2+][C@H](C)c1cc(Cl)ccc1OC C#CCCC[*:1] COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[*:1]
C#CCCCC[NH2+][C@H](C)c1cc(Cl)ccc1OC C#CC[*:1] COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[*:1]
C#CCCCC[NH2+][C@H](C)c1cc(Cl)ccc1OC C#CCC[*:1] COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[*:1]
COc1ccc(NC(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 COc1ccc(cc1)[*:1] O=C(NCCc1csc(n1)-c1cccc(F)c1)N[*:1]
COc1ccc(NC(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)NCCc1csc(n1)[*:1]
O=c1[nH]c(-c2cccnc2)nc2sc3c(c12)CCCCC3 c1cncc(c1)[*:1] O=c1[nH]c(nc2sc3CCCCCc3c12)[*:1]
CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 c1ccc(cc1)[*:1] CC(=O)N[C@H]1CCCN(C1)S(=O)(=O)c1cnn(c1)[*:1]
CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 CC(=O)N[*:1] O=S(=O)(c1cnn(c1)-c1ccccc1)N1CCC[C@@H](C1)[*:1]
Cc1ccc(-c2nnnn2[C@H]2C/C(=N\NC(N)=S)[C@H]3OC[C@@H]2O3)cc1 Cc1ccc(cc1)[*:1] NC(=S)N/N=C1\C[C@@H]([C@@H]2CO[C@H]1O2)n1nnnc1[*:1]
Cc1cccc(NC(=O)[C@@H](C)S(=O)(=O)[C@@H](C)c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(NC(=O)[C@@H](C)S(=O)(=O)[C@@H](C)[*:1])c1C
Cc1cccc(NC(=O)[C@@H](C)S(=O)(=O)[C@@H](C)c2ccc(F)cc2)c1C Cc1cccc(c1C)[*:1] C[C@@H](c1ccc(F)cc1)S(=O)(=O)[C@H](C)C(=O)N[*:1]
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Oc1cccc(F)c1F Clc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Oc1cccc(F)c1F
Cc1noc(C)c1COc1ccc(C(=O)NC(C)(C)C)cc1 Cc1noc(C)c1[*:1] CC(C)(C)NC(=O)c1ccc(cc1)OC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)[*:1] Cc1noc(C)c1COc1ccc(cc1)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N[*:1]
COc1ccc(F)cc1NC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 CC(C)O[*:1] COc1ccc(F)cc1NC(=O)/C=C/c1ccc(c(c1)OC)[*:1]
COc1ccc(F)cc1NC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 CC(C)[*:1] COc1ccc(F)cc1NC(=O)/C=C/c1ccc(O[*:1])c(c1)OC
CCCCCCOc1ccc(Cl)cc1N CCCCC[*:1] Nc1cc(Cl)ccc1OC[*:1]
CCCCCCOc1ccc(Cl)cc1N CCCC[*:1] Nc1cc(Cl)ccc1OCC[*:1]
CCCCCCOc1ccc(Cl)cc1N CCC[*:1] Nc1cc(Cl)ccc1OCCC[*:1]
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)cc1Cl c1cc(ccn1)[*:1] N#Cc1ccc(cc1Cl)S(=O)(=O)N1CCC[C@H]1[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1CC[C@@H](C)C[C@@H](C)C1 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)N1CC[C@@H](C)C[C@@H](C)C1
CC(=O)N(CCc1ccccc1)CC(=O)N1CC[C@@H](C)C[C@@H](C)C1 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)N1CC[C@@H](C)C[C@@H](C)C1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1CC[C@@H](C)C[C@@H](C)C1 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)N1CC[C@@H](C)C[C@@H](C)C1)C[*:1]
CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NC1CCCC1 CC(C)[*:1] O=C(Nc1cccc(Cl)c1S[*:1])C(=O)NC1CCCC1
CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NC1CCCC1 CC(C)S[*:1] O=C(Nc1cccc(Cl)c1[*:1])C(=O)NC1CCCC1
CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N[*:1]
CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)/N=c1/sccn1C Cn1ccs/c1=N/C(=O)[*:1] CC(C)[C@@H](NS(=O)(=O)c1ccc2OCCOc2c1)[*:1]
CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)/N=c1/sccn1C CC(C)[*:1] Cn1ccs/c1=N/C(=O)[C@H](NS(=O)(=O)c1ccc2OCCOc2c1)[*:1]
Cc1c([N-]S(=O)(=O)c2[nH+]cn(C)c2Cl)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])[N-]S(=O)(=O)c1[nH+]cn(C)c1Cl
O=C(NCc1ccc(Cl)cc1Cl)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 Clc1ccc(C[*:1])c(Cl)c1 O=C(N[*:1])c1ccc(cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1
O=C(NCc1ccc(Cl)cc1Cl)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 Clc1ccc(c(Cl)c1)[*:1] O=C(NC[*:1])c1ccc(cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1
Cc1cc(OCC(=O)NCc2sccc2C)nnc1C Cc1ccsc1[*:1] Cc1cc(nnc1C)OCC(=O)NC[*:1]
Cc1ccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)c(F)c1 FC(F)(F)[*:1] Cc1ccc(NC(=O)N2CC[C@](O)(C2)[*:1])c(F)c1
CCS(=O)(=O)CCC[C@]1(C)CCCCC[NH2+]1 CCS(=O)(=O)[*:1] C[C@]1(CCCCC[NH2+]1)CCC[*:1]
CCC(CC)N(CC(C)C)C(=O)NCc1ncn(C)n1 CC(C)[*:1] CCC(CC)N(C[*:1])C(=O)NCc1ncn(C)n1
CCC(CC)N(CC(C)C)C(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CCC(CC)N(CC(C)C)C(=O)NC[*:1]
CCC(CC)N(CC(C)C)C(=O)NCc1ncn(C)n1 CCC(CC)[*:1] CC(C)CN(C(=O)NCc1ncn(C)n1)[*:1]
CCC(CC)N(CC(C)C)C(=O)NCc1ncn(C)n1 CC(C)C[*:1] CCC(CC)N(C(=O)NCc1ncn(C)n1)[*:1]
N#Cc1c(-c2ccc(Cl)cc2)[n-]c(C(F)(F)F)c1Br FC(F)(F)[*:1] N#Cc1c([n-]c(c1Br)[*:1])-c1ccc(Cl)cc1
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccncc1 c1csc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])Nc1ccncc1
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[*:1]
CC(C)Cc1ccc(C[NH2+]CC[NH+]2CCCCCC2)cc1 CC(C)[*:1] c1cc(ccc1C[NH2+]CC[NH+]1CCCCCC1)C[*:1]
CC(C)Cc1ccc(C[NH2+]CC[NH+]2CCCCCC2)cc1 CC(C)C[*:1] c1cc(ccc1C[NH2+]CC[NH+]1CCCCCC1)[*:1]
Cc1cc(CN2CCN(C(=O)c3ccc([O-])nn3)CC2)on1 Cc1cc(C[*:1])on1 O=C(c1ccc([O-])nn1)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)c3ccc([O-])nn3)CC2)on1 [O-]c1ccc(nn1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)[*:1])on1
Cc1cc(CN2CCN(C(=O)c3ccc([O-])nn3)CC2)on1 Cc1cc(on1)[*:1] O=C(c1ccc([O-])nn1)N1CCN(CC1)C[*:1]
CCN(CC(C)C)C(=O)[C@@](C)([NH3+])CC CC(C)C[*:1] CCN(C(=O)[C@@](C)([NH3+])CC)[*:1]
CCN(CC(C)C)C(=O)[C@@](C)([NH3+])CC CC(C)[*:1] CCN(C[*:1])C(=O)[C@@](C)([NH3+])CC
CCC[C@H](C)CC(=O)[C@](C)(CC)[NH+]1CCCC1 CCC[*:1] CC[C@@](C)(C(=O)C[C@@H](C)[*:1])[NH+]1CCCC1
CCC[C@H](C)CC(=O)[C@](C)(CC)[NH+]1CCCC1 CCC[C@H](C)[*:1] CC[C@@](C)(C(=O)C[*:1])[NH+]1CCCC1
O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N[*:1]
CC(C)CC1(CNC(=O)[C@@H](C)NC(=O)c2ccoc2)CCCC1 CC(C)[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)NCC1(CCCC1)C[*:1]
CC(C)CC1(CNC(=O)[C@@H](C)NC(=O)c2ccoc2)CCCC1 CC(C)C[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)NCC1(CCCC1)[*:1]
CC(C)CC1(CNC(=O)[C@@H](C)NC(=O)c2ccoc2)CCCC1 c1cc(co1)[*:1] CC(C)CC1(CCCC1)CNC(=O)[C@@H](C)NC(=O)[*:1]
COC(=O)C1(N(C)C(=O)c2ccnc(Br)c2)CCCCC1 Brc1cc(ccn1)[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)[*:1]
COC(=O)C1(N(C)C(=O)c2ccnc(Br)c2)CCCCC1 COC(=O)[*:1] CN(C(=O)c1ccnc(Br)c1)C1(CCCCC1)[*:1]
Cc1nc2ccccc2n1CCNC(=O)NC[C@@H](C(C)C)N1CCOCC1 CC(C)[*:1] Cc1nc2ccccc2n1CCNC(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1nc2ccccc2n1CCNC(=O)NC[C@@H](C(C)C)N1CCOCC1 C1CN(CCO1)[*:1] Cc1nc2ccccc2n1CCNC(=O)NC[C@@H](C(C)C)[*:1]
CCC[NH+]1CCCN(C(=O)NCc2c(CC)nn(C)c2OC)CC1 CCC[*:1] CCc1nn(C)c(OC)c1CNC(=O)N1CCC[NH+](CC1)[*:1]
CC(C)(CCS(C)(=O)=O)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 CS(=O)(=O)C[*:1] CC(C)(CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12)C[*:1]
CC(C)(CCS(C)(=O)=O)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 CS(=O)(=O)CC[*:1] CC(C)(CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
CC(C)(CCS(C)(=O)=O)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 CS(=O)(=O)[*:1] CC(C)(CC[*:1])CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12
N#C/C(=C/c1cnc[nH]1)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] N#C/C(=C/c1cnc[nH]1)S(=O)(=O)[*:1]
N#C/C(=C/c1cnc[nH]1)S(=O)(=O)c1cccs1 c1ncc([nH]1)[*:1] N#CC(=C[*:1])S(=O)(=O)c1cccs1
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(C1CC1)C1CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)C(=O)NCC(C1CC1)C1CC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(C1CC1)C1CC1 C1CC1C(C[*:1])C1CC1 Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(C1CC1)C1CC1 C1CC1[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(C1CC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[*:1]
Cc1ccc(N=C2SCC(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)N=C1SCC(=O)N1C[*:1]
Cc1ccc(N=C2SCC(=O)N2CCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N=C1SCC(=O)N1CC[*:1]
Cc1ccc(N=C2SCC(=O)N2CCc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C1CSC(=N[*:1])N1CCc1ccccc1
CN(C(=O)Nc1ccc(F)cc1)[C@H](c1cccc(F)c1)c1ccccn1 Fc1ccc(cc1)[*:1] CN(C(=O)N[*:1])[C@H](c1cccc(F)c1)c1ccccn1
CN(C(=O)Nc1ccc(F)cc1)[C@H](c1cccc(F)c1)c1ccccn1 c1ccc(nc1)[*:1] CN(C(=O)Nc1ccc(F)cc1)[C@H](c1cccc(F)c1)[*:1]
CN(C(=O)Nc1ccc(F)cc1)[C@H](c1cccc(F)c1)c1ccccn1 Fc1cccc(c1)[*:1] CN(C(=O)Nc1ccc(F)cc1)[C@H](c1ccccn1)[*:1]
CCCn1nnnc1CSCc1noc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCCn1nnnc1CSCc1noc(n1)[*:1]
CCCn1nnnc1CSCc1noc(-c2ccccc2)n1 CCC[*:1] c1ccc(cc1)-c1nc(CSCc2nnnn2[*:1])no1
COc1ccc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1O COc1ccc(cc1O)[*:1] NC1=Nc2nc3cc4OCCCOc4cc3n2[C@H](N1)[*:1]
Cc1cc(O)cc(C(C)C)c1 CC(C)[*:1] Cc1cc(O)cc(c1)[*:1]
C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C(=Nc2cccc(S(=O)(=O)N(C)C)c2)S1 N#Cc1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)[*:1])C(=Nc2cccc(c2)S(=O)(=O)N(C)C)S1
C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C(=Nc2cccc(S(=O)(=O)N(C)C)c2)S1 CN(C)S(=O)(=O)[*:1] C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C(=Nc2cccc(c2)[*:1])S1
NC(=S)N1N=C(c2ccccc2Cl)C[C@H]1c1cccs1 c1csc(c1)[*:1] NC(=S)N1N=C(C[C@@H]1[*:1])c1ccccc1Cl
Cc1c(NC(=O)c2ccccc2)cc(Cl)c([O-])c1Cl c1ccc(cc1)[*:1] Cc1c(cc(Cl)c([O-])c1Cl)NC(=O)[*:1]
CN(C)C(=O)C[NH+](C)CC(=O)NC1CCCCCCC1 CN(C)C(=O)C[*:1] C[NH+](CC(=O)NC1CCCCCCC1)[*:1]
CN(C)C(=O)C[NH+](C)CC(=O)NC1CCCCCCC1 CN(C)C(=O)[*:1] C[NH+](CC(=O)NC1CCCCCCC1)C[*:1]
CCC(=O)Nc1cccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)c1 Cn1cccc1[*:1] CCC(=O)Nc1cccc(c1)C(=O)N1CCCCC[C@H]1[*:1]
CCC(=O)Nc1cccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)c1 CCC(=O)N[*:1] Cn1cccc1[C@H]1CCCCCN1C(=O)c1cccc(c1)[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCC(C)(C)CC(C)C)cnc21 CC(C)CC(C)(C)C[*:1] CCCn1c(=O)[nH]c(=O)c2cc(cnc21)C(=O)N[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCC(C)(C)CC(C)C)cnc21 CC(C)C[*:1] CCCn1c(=O)[nH]c(=O)c2cc(cnc21)C(=O)NCC(C)(C)[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCC(C)(C)CC(C)C)cnc21 CC(C)[*:1] CCCn1c(=O)[nH]c(=O)c2cc(cnc21)C(=O)NCC(C)(C)C[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCC(C)(C)CC(C)C)cnc21 CC(C)CC(C)(C)[*:1] CCCn1c(=O)[nH]c(=O)c2cc(cnc21)C(=O)NC[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCC(C)(C)CC(C)C)cnc21 CCC[*:1] CC(C)CC(C)(C)CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2[*:1]
COc1ccc2oc(CNC(=O)[C@H](C)n3cc[nH+]c3C(C)C)nc2c1 CC(C)[*:1] COc1ccc2oc(CNC(=O)[C@H](C)n3cc[nH+]c3[*:1])nc2c1
Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H]1CO NC(=O)[*:1] Cc1ccc(cc1NC(=O)N1CCC[C@H]1CO)[*:1]
O=C(Nc1cccc(-c2noc([O-])n2)c1)C1(c2ccc(F)cc2)CCCC1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1noc([O-])n1)C1(CCCC1)[*:1]
O=C(Nc1cccc(-c2noc([O-])n2)c1)C1(c2ccc(F)cc2)CCCC1 [O-]c1nc(no1)[*:1] O=C(Nc1cccc(c1)[*:1])C1(CCCC1)c1ccc(F)cc1
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(N3CCOC3=O)ccc2C)c1 O=C1OCCN1[*:1] Cc1ccc(c(c1)C(=O)Nc1cc(ccc1C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(N3CCOC3=O)ccc2C)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)C(=O)Nc1cc(ccc1C)N1CCOC1=O)[*:1]
O=[N+]([O-])c1c(Nc2nccs2)ncnc1Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1nccs1
O=[N+]([O-])c1c(Nc2nccs2)ncnc1Nc1cccc(Cl)c1Cl c1csc(n1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1cccc(Cl)c1Cl
O=[N+]([O-])c1c(Nc2nccs2)ncnc1Nc1cccc(Cl)c1Cl c1csc(n1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cccc(Cl)c1Cl
O=[N+]([O-])c1c(Nc2nccs2)ncnc1Nc1cccc(Cl)c1Cl O=[N+]([O-])[*:1] Clc1cccc(Nc2ncnc(Nc3nccs3)c2[*:1])c1Cl
COc1ccc(F)cc1C(=O)NCc1ccc(-c2csc(C)n2)o1 Cc1nc(cs1)[*:1] COc1ccc(F)cc1C(=O)NCc1ccc(o1)[*:1]
C[C@@H](c1nc(-c2ccccc2)no1)S(=O)(=O)CC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@@H](c1nc(no1)-c1ccccc1)S(=O)(=O)C[*:1]
C[C@@H](c1nc(-c2ccccc2)no1)S(=O)(=O)CC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 C[C@@H](c1nc(no1)-c1ccccc1)S(=O)(=O)[*:1]
C[C@@H](c1nc(-c2ccccc2)no1)S(=O)(=O)CC(=O)N1CCCC1 c1ccc(cc1)[*:1] C[C@@H](c1nc(no1)[*:1])S(=O)(=O)CC(=O)N1CCCC1
CC(C)(C)[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@H](Nc1ncc(c(N)n1)[N+](=O)[O-])[*:1]
CC(C)(C)[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 O=[N+]([O-])[*:1] CC(C)(C)[C@H](Nc1ncc(c(N)n1)[*:1])c1ccccc1
CC(C)(C)[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 CC(C)(C)[*:1] Nc1nc(ncc1[N+](=O)[O-])N[C@H](c1ccccc1)[*:1]
CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1OC(C)C CCS[*:1] CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(n2C)[*:1]
CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1OC(C)C CC(C)[*:1] CCSc1nc(=O)c2c(NC(=O)C[C@H]2c2ccccc2O[*:1])n1C
CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1OC(C)C CC(C)O[*:1] CCSc1nc(=O)c2c(NC(=O)C[C@H]2c2ccccc2[*:1])n1C
CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 CNC(=O)[C@@H](C)[*:1] O=C(Nc1ccc(c(Cl)c1)-n1cccn1)C(=O)N[*:1]
CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 c1cnn(c1)[*:1] CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 CNC(=O)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(c(Cl)c1)-n1cccn1)[*:1]
C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@H]([NH2+]CCO[*:1])c1ccc2NC(=O)C(C)(C)c2c1
C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 O=[N+]([O-])[*:1] C[C@H]([NH2+]CCOc1ccc(cc1)[*:1])c1ccc2NC(=O)C(C)(C)c2c1
C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCSc1ccc(Cl)cc1)CS2 Clc1ccc(cc1)[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)NCCS[*:1]
COC(=O)c1ccccc1N(C)C(=O)[C@H]1CSc2ncc(C)c(=O)n2C1 COC(=O)[*:1] Cc1cnc2SC[C@@H](Cn2c1=O)C(=O)N(C)c1ccccc1[*:1]
CCSCc1ccc(C(=O)N(C)CC(C)(C)O)cc1 CCS[*:1] CN(CC(C)(C)O)C(=O)c1ccc(cc1)C[*:1]
CCSCc1ccc(C(=O)N(C)CC(C)(C)O)cc1 CCSC[*:1] CN(CC(C)(C)O)C(=O)c1ccc(cc1)[*:1]
CCSCc1ccc(C(=O)N(C)CC(C)(C)O)cc1 CC(C)(O)[*:1] CCSCc1ccc(cc1)C(=O)N(C)C[*:1]
CCSCc1ccc(C(=O)N(C)CC(C)(C)O)cc1 CC(C)(O)C[*:1] CCSCc1ccc(cc1)C(=O)N(C)[*:1]
CN(C)C(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2-n2cccc2)c1 CN(C)C(=O)[*:1] O=C(Nc1ccc(Cl)cc1-n1cccc1)c1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2-n2cccc2)c1 c1ccn(c1)[*:1] CN(C)C(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1[*:1]
C/[NH+]=C(/NCc1n[nH]c(-c2ccco2)n1)N[C@@H](C)c1ccc(F)c(F)c1 c1coc(c1)[*:1] C/[NH+]=C(/NCc1n[nH]c(n1)[*:1])N[C@@H](C)c1ccc(F)c(F)c1
C/[NH+]=C(/NCc1n[nH]c(-c2ccco2)n1)N[C@@H](C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C/[NH+]=C(/NCc1n[nH]c(n1)-c1ccco1)N[C@@H](C)[*:1]
CCn1nc(C)c(C[NH+](CC)Cc2cc(C)nn2C)c1C Cc1cc(n(C)n1)[*:1] CCn1nc(C)c(C[NH+](CC)C[*:1])c1C
C[C@@H](C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)C1CC1 C1CC1[*:1] C[C@@H](C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)[*:1]
C[C@@H](C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)C1CC1 C[C@@H](C1CC1)[*:1] O=C(N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)[*:1]
COc1ccc(C(=O)N[C@@H](C)C/C(N)=N/O)cc1O N/C(=N\O)[*:1] COc1ccc(cc1O)C(=O)N[C@@H](C)C[*:1]
COc1ccc(C(=O)N[C@@H](C)C/C(N)=N/O)cc1O N/C(C[*:1])=N\O COc1ccc(cc1O)C(=O)N[C@@H](C)[*:1]
CCN1CCN(Cc2cc(F)cc(C(F)(F)F)c2)C(=O)C1=O FC(F)(F)[*:1] CCN1CCN(Cc2cc(F)cc(c2)[*:1])C(=O)C1=O
CC(C)c1ccc(OCc2nnc(S)n2C)cc1 CC(C)[*:1] Cn1c(S)nnc1COc1ccc(cc1)[*:1]
CC1(C)CCN(C(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)C1 O=C1NCCN1[*:1] CC1(C)CCN(C1)C(=O)C(=O)Nc1cc(ccc1Cl)[*:1]
COc1ccc(OC)c([C@@H]2c3c(C)n[nH]c3C(=O)N2CCc2c[nH]c3ccccc23)c1 COc1ccc(OC)c(c1)[*:1] Cc1n[nH]c2C(=O)N(CCc3c[nH]c4ccccc34)[C@@H](c12)[*:1]
COc1ccc(OC)c([C@@H]2c3c(C)n[nH]c3C(=O)N2CCc2c[nH]c3ccccc23)c1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(OC)c(c1)[C@@H]1c2c(C)n[nH]c2C(=O)N1CC[*:1]
COc1ccc(OC)c([C@@H]2c3c(C)n[nH]c3C(=O)N2CCc2c[nH]c3ccccc23)c1 c1ccc2c(c[nH]c2c1)C[*:1] COc1ccc(OC)c(c1)[C@@H]1c2c(C)n[nH]c2C(=O)N1C[*:1]
Cc1cc(C(=O)Nc2ccccc2OCC2CC2)ccc1S(N)(=O)=O C1CC1CO[*:1] Cc1cc(ccc1S(N)(=O)=O)C(=O)Nc1ccccc1[*:1]
Cc1cc(C(=O)Nc2ccccc2OCC2CC2)ccc1S(N)(=O)=O C1CC1C[*:1] Cc1cc(ccc1S(N)(=O)=O)C(=O)Nc1ccccc1O[*:1]
Cc1cc(C(=O)Nc2ccccc2OCC2CC2)ccc1S(N)(=O)=O C1CC1[*:1] Cc1cc(ccc1S(N)(=O)=O)C(=O)Nc1ccccc1OC[*:1]
Cc1cc(C(=O)Nc2ccccc2OCC2CC2)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1cc(ccc1[*:1])C(=O)Nc1ccccc1OCC1CC1
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2ccc(C)cc2s1 CSCC[*:1] Cc1ccc2nc(NC(=O)[C@@H](NC(=O)c3ccccc3Cl)[*:1])sc2c1
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2ccc(C)cc2s1 CSC[*:1] Cc1ccc2nc(NC(=O)[C@H](C[*:1])NC(=O)c3ccccc3Cl)sc2c1
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2ccc(C)cc2s1 Clc1ccccc1[*:1] CSCC[C@H](NC(=O)[*:1])C(=O)Nc1nc2ccc(C)cc2s1
O=C1CN(c2ccccc2NC(=O)Cc2noc3ccccc23)CCN1 O=C1CN(CCN1)[*:1] O=C(Cc1noc2ccccc12)Nc1ccccc1[*:1]
CC(C)(C)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 CC(C)(C)[*:1] C(=N/Nc1nc2ccccc2[nH]1)\c1ccc(cc1)[*:1]
COc1cc(C)cc(C(=O)Nc2ccc(F)cc2OC(F)F)c1O FC(F)[*:1] COc1cc(C)cc(C(=O)Nc2ccc(F)cc2O[*:1])c1O
COc1cc(C)cc(C(=O)Nc2ccc(F)cc2OC(F)F)c1O FC(F)O[*:1] COc1cc(C)cc(C(=O)Nc2ccc(F)cc2[*:1])c1O
CN(C(=O)c1cccc(NC(=O)NC2CCCCC2)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1cccc(c1)NC(=O)NC1CCCCC1)[*:1]
CN(C(=O)c1cccc(NC(=O)NC2CCCCC2)c1)c1ccccc1 C1CCC(CC1)[*:1] CN(C(=O)c1cccc(c1)NC(=O)N[*:1])c1ccccc1
COC(=O)/C=C(\Nc1cccc(Br)c1)C(=O)NCc1ccccc1 Brc1cccc(c1)[*:1] COC(=O)/C=C(\N[*:1])C(=O)NCc1ccccc1
COC(=O)/C=C(\Nc1cccc(Br)c1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] COC(=O)/C=C(\Nc1cccc(Br)c1)C(=O)N[*:1]
COC(=O)/C=C(\Nc1cccc(Br)c1)C(=O)NCc1ccccc1 COC(=O)[*:1] O=C(NCc1ccccc1)C(=C[*:1])Nc1cccc(Br)c1
COC(=O)/C=C(\Nc1cccc(Br)c1)C(=O)NCc1ccccc1 Brc1cccc(c1)N[*:1] COC(=O)C=C(C(=O)NCc1ccccc1)[*:1]
COC(=O)/C=C(\Nc1cccc(Br)c1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] COC(=O)/C=C(\Nc1cccc(Br)c1)C(=O)NC[*:1]
CCc1ccc([C@H](C)NC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1 C1CC[C@H](CO[*:1])OC1 CCc1ccc(cc1)[C@H](C)NC(=O)N1CCC(CC1)[*:1]
CCc1ccc([C@H](C)NC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1 CCc1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCC(CC1)OC[C@H]1CCCCO1)[*:1]
CCc1ccc([C@H](C)NC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1 C1CC[C@H](C[*:1])OC1 CCc1ccc(cc1)[C@H](C)NC(=O)N1CCC(CC1)O[*:1]
CCc1ccc([C@H](C)NC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1 C1CC[C@@H](OC1)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)N1CCC(CC1)OC[*:1]
CC(C)n1ccc(-c2nnc(NC(=O)CCSc3ccc(F)cc3)o2)n1 CC(C)n1ccc(n1)[*:1] O=C(CCSc1ccc(F)cc1)Nc1nnc(o1)[*:1]
CC(C)n1ccc(-c2nnc(NC(=O)CCSc3ccc(F)cc3)o2)n1 CC(C)[*:1] O=C(CCSc1ccc(F)cc1)Nc1nnc(o1)-c1ccn(n1)[*:1]
CC(C)n1ccc(-c2nnc(NC(=O)CCSc3ccc(F)cc3)o2)n1 Fc1ccc(cc1)[*:1] CC(C)n1ccc(n1)-c1nnc(NC(=O)CCS[*:1])o1
CC(C)n1ccc(-c2nnc(NC(=O)CCSc3ccc(F)cc3)o2)n1 Fc1ccc(cc1)S[*:1] CC(C)n1ccc(n1)-c1nnc(NC(=O)CC[*:1])o1
COC(=O)c1ccccc1S(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 COC(=O)[*:1] O=S(=O)(Cc1nc(no1)-c1ccc(Cl)cc1)c1ccccc1[*:1]
COC(=O)c1ccccc1S(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] COC(=O)c1ccccc1S(=O)(=O)Cc1nc(no1)[*:1]
C[C@@H](CNC(=O)CCC(=O)c1ccc(F)c(F)c1)N1CCOC[C@H]1C Fc1ccc(cc1F)[*:1] C[C@@H](CNC(=O)CCC(=O)[*:1])N1CCOC[C@H]1C
CN(C)C(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 CN(C)C(=O)C[*:1] N#Cc1ccc(cc1)CSc1ccccc1C(=O)O[*:1]
CN(C)C(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CN(C)C(=O)COC(=O)c1ccccc1SC[*:1]
CN(C)C(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 CN(C)C(=O)[*:1] N#Cc1ccc(cc1)CSc1ccccc1C(=O)OC[*:1]
CC(C)Cc1nnc(NC(=O)C(=O)NCCc2nnc3n2CCCCC3)s1 CC(C)Cc1nnc(s1)[*:1] O=C(NCCc1nnc2CCCCCn21)C(=O)N[*:1]
CC(C)Cc1nnc(NC(=O)C(=O)NCCc2nnc3n2CCCCC3)s1 CC(C)[*:1] O=C(NCCc1nnc2CCCCCn21)C(=O)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)C(=O)NCCc2nnc3n2CCCCC3)s1 CC(C)C[*:1] O=C(NCCc1nnc2CCCCCn21)C(=O)Nc1nnc(s1)[*:1]
Fc1c(Cl)cccc1CN1CCO[C@H]([C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] Fc1c(Cl)cccc1CN1CCO[C@H](C1)[*:1]
Cc1cccc(Oc2cncc(/C(N)=N/O)n2)c1 N/C(=N\O)[*:1] Cc1cccc(c1)Oc1cncc(n1)[*:1]
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CN3CCOCC3)c2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1c(Br)c(/C=N/NC(=O)CN2CCOCC2)c(C)n1[*:1]
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CN3CCOCC3)c2C)c1 C1CN(CCO1)[*:1] Cc1cc(C)cc(c1)-n1c(C)c(Br)c(/C=N/NC(=O)C[*:1])c1C
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CN3CCOCC3)c2C)c1 C1CN(CCO1)C[*:1] Cc1cc(C)cc(c1)-n1c(C)c(Br)c(/C=N/NC(=O)[*:1])c1C
O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)C1CC1 C1CC1[*:1] O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)[*:1]
O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)C1CC1 O=[N+]([O-])[*:1] c1ccc(c(c1)C[C@@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)C1CC1)[*:1]
Nc1nc2nc(-c3ccc(F)cc3)c(CCN3CCOCC3)cn2n1 C1CN(CCO1)C[*:1] Nc1nc2nc(-c3ccc(F)cc3)c(cn2n1)C[*:1]
Nc1nc2nc(-c3ccc(F)cc3)c(CCN3CCOCC3)cn2n1 C1CN(CCO1)CC[*:1] Nc1nc2nc(-c3ccc(F)cc3)c(cn2n1)[*:1]
Nc1nc2nc(-c3ccc(F)cc3)c(CCN3CCOCC3)cn2n1 C1CN(CCO1)[*:1] Nc1nc2nc(-c3ccc(F)cc3)c(cn2n1)CC[*:1]
Nc1nc2nc(-c3ccc(F)cc3)c(CCN3CCOCC3)cn2n1 Fc1ccc(cc1)[*:1] Nc1nc2nc(c(cn2n1)CCN1CCOCC1)[*:1]
CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)C(=O)N2CCOCC2)CC1 c1csc(c1)[*:1] CC[NH+]1CCN(CC1)[C@@H]([C@H](C)NC(=O)C(=O)N1CCOCC1)[*:1]
CCNc1cc(C2CC2)nc(C[NH+](C)C)n1 C1CC1[*:1] CCNc1cc(nc(C[NH+](C)C)n1)[*:1]
CCNc1cc(C2CC2)nc(C[NH+](C)C)n1 CCN[*:1] C[NH+](C)Cc1nc(cc(n1)[*:1])C1CC1
Cc1ccc(OCC(=O)OCC(=O)NC(C)(C)C)cc1C CC(C)(C)NC(=O)[*:1] Cc1ccc(cc1C)OCC(=O)OC[*:1]
Cc1ccc(OCC(=O)OCC(=O)NC(C)(C)C)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)OCC(=O)OCC(=O)N[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H]1CCCc2ccccc21 Cc1noc(C)c1CS[*:1] O=C(N[C@H]1CCCc2ccccc21)c1cccnc1[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H]1CCCc2ccccc21 Cc1noc(C)c1[*:1] O=C(N[C@H]1CCCc2ccccc21)c1cccnc1SC[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H]1CCCc2ccccc21 Cc1noc(C)c1C[*:1] O=C(N[C@H]1CCCc2ccccc21)c1cccnc1S[*:1]
Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCCn4nc(C)cc4C)C3)noc2n1 Cc1cc(C)n(CC[*:1])n1 Cc1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)C[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCCn4nc(C)cc4C)C3)noc2n1 Cc1cc(C)n(C[*:1])n1 Cc1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)CC[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCCn4nc(C)cc4C)C3)noc2n1 Cc1cc(C)n(CCC[*:1])n1 Cc1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCCn4nc(C)cc4C)C3)noc2n1 FC(F)(F)[*:1] Cc1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)CCCn1nc(C)cc1C)[*:1]
Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCCn4nc(C)cc4C)C3)noc2n1 Cc1cc(C)n(n1)[*:1] Cc1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)CCC[*:1])C(F)(F)F
CCOc1cc2c(cc1OCC)CN(CN1C(=O)c3cccc(N)c3C1=O)CC2 CCO[*:1] CCOc1cc2CN(CCc2cc1[*:1])CN1C(=O)c2cccc(N)c2C1=O
CCOc1cc2c(cc1OCC)CN(CN1C(=O)c3cccc(N)c3C1=O)CC2 CCO[*:1] CCOc1cc2CCN(Cc2cc1[*:1])CN1C(=O)c2cccc(N)c2C1=O
Cc1nc(C)c(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(=O)[nH]1 Cc1ccccc1[*:1] Cc1nc(C)c(CC(=O)NC2CC[NH+](CC2)C[*:1])c(=O)[nH]1
Cc1nc(C)c(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(=O)[nH]1 Cc1ccccc1C[*:1] Cc1nc(C)c(CC(=O)NC2CC[NH+](CC2)[*:1])c(=O)[nH]1
Cc1nc(C)c(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(=O)[nH]1 Cc1nc(C)c(c(=O)[nH]1)[*:1] Cc1ccccc1C[NH+]1CCC(CC1)NC(=O)C[*:1]
O=C(CN1C(=O)S/C(=C\c2ccncc2)C1=O)N1CCOCC1 c1cc(ccn1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)N1CCOCC1
Cc1ccccc1-c1noc(C[NH+]2CCN(Cc3ccc4c(c3)CCO4)CC2)n1 Cc1ccccc1[*:1] c1cc2OCCc2cc1CN1CC[NH+](CC1)Cc1nc(no1)[*:1]
Cc1ccccc1-c1noc(C[NH+]2CCN(Cc3ccc4c(c3)CCO4)CC2)n1 c1cc2OCCc2cc1[*:1] Cc1ccccc1-c1noc(C[NH+]2CCN(CC2)C[*:1])n1
O=c1c2cnc(N3CCCCC3)nc2ccn1CCN1CCOCC1 C1CN(CCO1)C[*:1] O=c1c2cnc(nc2ccn1C[*:1])N1CCCCC1
O=c1c2cnc(N3CCCCC3)nc2ccn1CCN1CCOCC1 C1CN(CCO1)CC[*:1] O=c1c2cnc(nc2ccn1[*:1])N1CCCCC1
O=c1c2cnc(N3CCCCC3)nc2ccn1CCN1CCOCC1 C1CCN(CC1)[*:1] O=c1c2cnc(nc2ccn1CCN1CCOCC1)[*:1]
O=c1c2cnc(N3CCCCC3)nc2ccn1CCN1CCOCC1 C1CN(CCO1)[*:1] O=c1c2cnc(nc2ccn1CC[*:1])N1CCCCC1
Cc1ccc(-c2csc(NC(=O)c3ccc(C(=O)N(C)C)cc3)n2)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(-c2csc(NC(=O)c3ccc(C(=O)N(C)C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
C=CCN(C(=O)CSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 FC(F)(F)C[*:1] C=CCN(C(=O)CS[*:1])[C@H]1CCS(=O)(=O)C1
C=CCN(C(=O)CSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] C=CCN(C(=O)CSC[*:1])[C@H]1CCS(=O)(=O)C1
C=CCN(C(=O)CSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 C=CC[*:1] O=C(CSCC(F)(F)F)N([C@H]1CCS(=O)(=O)C1)[*:1]
C=CCN(C(=O)CSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 FC(F)(F)CS[*:1] C=CCN(C(=O)C[*:1])[C@H]1CCS(=O)(=O)C1
O=C1CCCCN1C1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 O=C1CCCCN1[*:1] Fc1ccc(OCC[NH+]2CCC(CC2)[*:1])c(Cl)c1
O=C1CCCCN1C1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 Fc1ccc(c(Cl)c1)[*:1] O=C1CCCCN1C1CC[NH+](CCO[*:1])CC1
Cc1ccc(Nc2cccc(C(=O)O[C@H](C)[C@@H]3CCOC3)c2)nn1 Cc1ccc(nn1)N[*:1] C[C@@H](OC(=O)c1cccc(c1)[*:1])[C@@H]1CCOC1
Cc1ccc(Nc2cccc(C(=O)O[C@H](C)[C@@H]3CCOC3)c2)nn1 Cc1ccc(nn1)[*:1] C[C@@H](OC(=O)c1cccc(c1)N[*:1])[C@@H]1CCOC1
COc1ccc(C)cc1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 COc1ccc(C)cc1[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[*:1]
COc1ccc(C)cc1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 COc1ccc(C)cc1C[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[*:1]
COC(=O)CN(C)S(=O)(=O)c1c(N)ccc(C)c1C COC(=O)[*:1] Cc1ccc(N)c(c1C)S(=O)(=O)N(C)C[*:1]
COC(=O)CN(C)S(=O)(=O)c1c(N)ccc(C)c1C COC(=O)C[*:1] Cc1ccc(N)c(c1C)S(=O)(=O)N(C)[*:1]
Cn1cccc(NC(=O)NCC[C@@H](O)c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1cccc(NC(=O)NCC[C@@H](O)[*:1])c1=O
COc1ccc(CC2(CO)CCN(c3ccc4ccccc4[nH+]3)CC2)cc1 COc1ccc(cc1)C[*:1] OCC1(CCN(CC1)c1ccc2ccccc2[nH+]1)[*:1]
COc1ccc(CC2(CO)CCN(c3ccc4ccccc4[nH+]3)CC2)cc1 COc1ccc(cc1)[*:1] OCC1(CCN(CC1)c1ccc2ccccc2[nH+]1)C[*:1]
Cc1cc(C)c(NC(=O)N(C)Cc2cccs2)c(C)c1 c1csc(c1)C[*:1] Cc1cc(C)c(NC(=O)N(C)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)N(C)Cc2cccs2)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(NC(=O)N(C)C[*:1])c(C)c1
Cc1ccc(SCC[NH+]2CCC(CS(N)(=O)=O)CC2)cc1C NS(=O)(=O)C[*:1] Cc1ccc(cc1C)SCC[NH+]1CCC(CC1)[*:1]
Cc1ccc(SCC[NH+]2CCC(CS(N)(=O)=O)CC2)cc1C NS(=O)(=O)[*:1] Cc1ccc(cc1C)SCC[NH+]1CCC(CC1)C[*:1]
CC(C)=C[C@@H](O)c1c[nH]nc1-c1ccccc1 CC(C)=C[*:1] O[C@@H](c1c[nH]nc1-c1ccccc1)[*:1]
CCCOc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)cc1 CCCO[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)[*:1])[C@@H]1COc2ccccc2O1
CCCOc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)cc1 CCC[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)O[*:1])[C@@H]1COc2ccccc2O1
Cc1cc(C)n2ncc(C(=O)NNC(=O)c3cncn3-c3ccc(F)cc3)c2n1 Fc1ccc(cc1)[*:1] Cc1cc(C)n2ncc(C(=O)NNC(=O)c3cncn3[*:1])c2n1
C[C@H](Nc1ncnc2c1CCCC2)c1ccco1 c1coc(c1)[*:1] C[C@H](Nc1ncnc2CCCCc21)[*:1]
C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N[C@H](C)[*:1]
C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N[C@H](C)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N[*:1]
C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N[C@H](C)c1ccc(F)cc1 c1cc(ccn1)[*:1] C[C@@H](Sc1nnc(n1C1CC1)[*:1])C(=O)N[C@H](C)c1ccc(F)cc1
C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N[C@H](C)c1ccc(F)cc1 C1CC1[*:1] C[C@@H](Sc1nnc(-c2ccncc2)n1[*:1])C(=O)N[C@H](C)c1ccc(F)cc1
C=CCNC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 C=CC[*:1] O=C(N[*:1])c1cc(c[nH]1)C(=O)c1ccc(Cl)cc1Cl
C=CCNC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 C=CCNC(=O)[*:1] O=C(c1c[nH]c(c1)[*:1])c1ccc(Cl)cc1Cl
N#Cc1ccccc1Cn1nnc2sc(-c3ccccc3)cc2c1=O c1ccc(cc1)[*:1] N#Cc1ccccc1Cn1nnc2sc(cc2c1=O)[*:1]
N#Cc1ccccc1Cn1nnc2sc(-c3ccccc3)cc2c1=O N#Cc1ccccc1[*:1] O=c1c2cc(sc2nnn1C[*:1])-c1ccccc1
CCN(CC)C(=O)CN(CC(=O)[O-])c1ccccc1 O=C([O-])[*:1] CCN(CC)C(=O)CN(C[*:1])c1ccccc1
CCN(CC)C(=O)CN(CC(=O)[O-])c1ccccc1 O=C([O-])C[*:1] CCN(CC)C(=O)CN(c1ccccc1)[*:1]
CCN(CC)C(=O)CN(CC(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)CN(CC(=O)[O-])[*:1]
N#C/C(=C\c1cnn(CCCl)c1)C(=O)c1ccc(F)c(Cl)c1 ClCC[*:1] N#C/C(=C\c1cnn(c1)[*:1])C(=O)c1ccc(F)c(Cl)c1
COc1ccc(-c2n[nH]cc2C[NH+]2CCC(OC3CCOCC3)CC2)cc1 C1CC(CCO1)O[*:1] COc1ccc(cc1)-c1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
COc1ccc(-c2n[nH]cc2C[NH+]2CCC(OC3CCOCC3)CC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)-c1n[nH]cc1C[NH+]1CCC(CC1)O[*:1]
COc1ccc(-c2n[nH]cc2C[NH+]2CCC(OC3CCOCC3)CC2)cc1 COc1ccc(cc1)[*:1] c1[nH]nc(c1C[NH+]1CCC(CC1)OC1CCOCC1)[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)C2(C)C COCCO[*:1] CC1(C)[C@H]2CN(C[C@H]21)S(=O)(=O)c1cc(Cl)ccc1[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)C2(C)C COC[*:1] CC1(C)[C@H]2CN(C[C@H]21)S(=O)(=O)c1cc(Cl)ccc1OC[*:1]
COCCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)C2(C)C COCC[*:1] CC1(C)[C@H]2CN(C[C@H]21)S(=O)(=O)c1cc(Cl)ccc1O[*:1]
CNC(=O)[C@H]1CCCCN1c1ccc(C#N)c([N+](=O)[O-])c1 CNC(=O)[*:1] N#Cc1ccc(cc1[N+](=O)[O-])N1CCCC[C@@H]1[*:1]
CNC(=O)[C@H]1CCCCN1c1ccc(C#N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)[C@H]1CCCCN1c1ccc(C#N)c(c1)[*:1]
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccccc1Br Brc1ccccc1[*:1] COc1ccc2c(C(=O)O[C@@H]2NNC(=O)[*:1])c1OC
CCOc1cc(C)ccc1NC(=O)N[C@H](C)CO CCO[*:1] Cc1ccc(NC(=O)N[C@H](C)CO)c(c1)[*:1]
CCOc1cc(C)ccc1NC(=O)N[C@H](C)CO C[C@H](CO)[*:1] CCOc1cc(C)ccc1NC(=O)N[*:1]
CC(=O)c1ccccc1NC(=O)CSc1nncs1 CC(=O)[*:1] O=C(CSc1nncs1)Nc1ccccc1[*:1]
CC(=O)c1ccccc1NC(=O)CSc1nncs1 c1nnc(S[*:1])s1 CC(=O)c1ccccc1NC(=O)C[*:1]
CC(=O)c1ccccc1NC(=O)CSc1nncs1 c1nnc(s1)[*:1] CC(=O)c1ccccc1NC(=O)CS[*:1]
O=C(c1cnsn1)N1CCC[C@@H]1c1nc2ccccc2s1 c1nsnc1[*:1] O=C(N1CCC[C@@H]1c1nc2ccccc2s1)[*:1]
CC[C@H](C)n1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O c1cc2OCCOc2cc1[*:1] CC[C@H](C)n1c(nc2ccccc2c1=O)SCC(=O)NC(=O)N[*:1]
O=S(=O)(N1CCOCC1)N1CCC([NH2+]C2CCCCCCC2)CC1 C1CCCC(CCC1)[*:1] O=S(=O)(N1CCOCC1)N1CCC(CC1)[NH2+][*:1]
O=C(N[C@@H]1CCCOC1)c1ccncc1C#CCO C1COC[C@@H](C1)[*:1] O=C(N[*:1])c1ccncc1C#CCO
O=C(N[C@@H]1CCCOC1)c1ccncc1C#CCO OCC#C[*:1] O=C(N[C@@H]1CCCOC1)c1ccncc1[*:1]
CO[C@H](CN[C@H](C)c1ccccn1)c1ccc(F)cc1 c1ccc(nc1)[*:1] CO[C@H](CN[C@H](C)[*:1])c1ccc(F)cc1
O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)c1cccnc1)C1(CCOCC1)[*:1]
O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C1(c2ccccc2)CCOCC1 c1cncc(c1)[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)[*:1])C1(CCOCC1)c1ccccc1
COC(=O)NCc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 COC(=O)N[*:1] O=C(Nc1ccc(cc1)C[*:1])N1CCC[C@H]2CCC[C@H]21
COC(=O)NCc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 COC(=O)NC[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[C@H]2CCC[C@H]21
O=C1O[C@](OC2CCCC2)(c2ccccc2)c2ccccc21 C1CCC(C1)O[*:1] O=C1O[C@](c2ccccc2)(c2ccccc21)[*:1]
O=C1O[C@](OC2CCCC2)(c2ccccc2)c2ccccc21 C1CCC(C1)[*:1] O=C1O[C@](O[*:1])(c2ccccc2)c2ccccc21
O=C1O[C@](OC2CCCC2)(c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] O=C1O[C@](OC2CCCC2)(c2ccccc21)[*:1]
CCc1cccc(CC)c1NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] CCc1cccc(CC)c1NC(=O)Nc1ccc(cc1)[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1c(O)cccc1O Oc1cccc(O)c1[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)[*:1]
CC[C@@H](NC(=O)NC(C)(C)c1nccs1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)NC(C)(C)c1nccs1)[*:1]
CC[C@@H](NC(=O)NC(C)(C)c1nccs1)c1ccncc1 c1csc(n1)[*:1] CC[C@@H](NC(=O)NC(C)(C)[*:1])c1ccncc1
CCCN[C@H](c1cnccc1C)C(C)(C)[NH+](C)C CCCN[*:1] Cc1ccncc1[C@H](C(C)(C)[NH+](C)C)[*:1]
CCCN[C@H](c1cnccc1C)C(C)(C)[NH+](C)C CCC[*:1] Cc1ccncc1[C@@H](N[*:1])C(C)(C)[NH+](C)C
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)[*:1]
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1cccc(C)c1 Fc1cccc(F)c1[*:1] CCN(CC(=O)N[*:1])C(=O)CNC(=O)c1cccc(C)c1
CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[*:1]
CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C#N)c1 FC(F)(F)[*:1] CN(C(=O)c1cc(cc(c1)[*:1])C(F)(F)F)c1cccc(C#N)c1
CC(C)C(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)s2)cc1 CC(C)[*:1] O=C(Nc1nnc(s1)[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1)c1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)s2)cc1 Clc1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)s2)cc1 CC(C)C(=O)N[*:1] O=C(Nc1nnc(s1)[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1)c1ccc(cc1)[*:1]
C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCC(c3nc4ccccc4s3)CC2)C1=O Fc1ccc(cc1F)[*:1] C[C@@]1(NC(=O)N(CN2CCC(CC2)c2nc3ccccc3s2)C1=O)[*:1]
C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCC(c3nc4ccccc4s3)CC2)C1=O c1ccc2sc(nc2c1)[*:1] C[C@@]1(NC(=O)N(CN2CCC(CC2)[*:1])C1=O)c1ccc(F)c(F)c1
O=C(N[C@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(N[C@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(CCC(=O)Nc2cccc(Cl)c2C)cc1 CCO[*:1] Cc1c(Cl)cccc1NC(=O)CCc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cnn(C(C)C)c1C CC(C)[*:1] CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cnn(c1C)[*:1]
CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cnn(C(C)C)c1C CC(=O)N[*:1] Cc1c(cnn1C(C)C)C(=O)Nc1cc(Cl)ccc1[*:1]
COc1cc(C(=O)N/N=C2/C=C(C)CC2)ccc1OCCC(C)C CC(C)C[*:1] COc1cc(ccc1OC[*:1])C(=O)N/N=C1/C=C(C)CC1
COc1cc(C(=O)N/N=C2/C=C(C)CC2)ccc1OCCC(C)C CC(C)[*:1] COc1cc(ccc1OCC[*:1])C(=O)N/N=C1/C=C(C)CC1
COc1cc(C(=O)N/N=C2/C=C(C)CC2)ccc1OCCC(C)C CC(C)CC[*:1] COc1cc(ccc1O[*:1])C(=O)N/N=C1/C=C(C)CC1
COc1cc(C(=O)N/N=C2/C=C(C)CC2)ccc1OCCC(C)C CC(C)CCO[*:1] COc1cc(ccc1[*:1])C(=O)N/N=C1/C=C(C)CC1
Cc1cc(C)n(-c2ccccc2NC(=O)NCC(=O)N2CCCC2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCC(=O)N1CCCC1)Nc1ccccc1[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)NCC(=O)N2CCCC2)n1 O=C(N1CCCC1)[*:1] Cc1cc(C)n(n1)-c1ccccc1NC(=O)NC[*:1]
Cc1cc(C)n(-c2ccccc2NC(=O)NCC(=O)N2CCCC2)n1 O=C(C[*:1])N1CCCC1 Cc1cc(C)n(n1)-c1ccccc1NC(=O)N[*:1]
Cc1nn(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(=S)n1C1CC1 C1CCC(CC1)[*:1] Cc1nn(C[NH+]2CCC(CC2)NC(=O)[*:1])c(=S)n1C1CC1
Cc1nn(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(=S)n1C1CC1 C1CC1[*:1] Cc1nn(C[NH+]2CCC(CC2)NC(=O)C2CCCCC2)c(=S)n1[*:1]
C[C@H](Sc1nnnn1C(C)(C)C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](Sc1nnnn1C(C)(C)C)C(=O)N[C@@H](C)[*:1]
C[C@H](Sc1nnnn1C(C)(C)C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 CC(C)(C)[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)N[C@@H](C)c1ccc(Cl)cc1
COC(=O)[C@@H](NC(=O)C1C(C)(C)C1(C)C)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](NC(=O)C1C(C)(C)C1(C)C)[*:1]
COC(=O)[C@@H](NC(=O)C1C(C)(C)C1(C)C)c1ccccc1 CC1(C)C(C1(C)C)[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccccc1
COC(=O)[C@@H](NC(=O)C1C(C)(C)C1(C)C)c1ccccc1 COC(=O)[*:1] CC1(C)C(C(=O)N[C@@H](c2ccccc2)[*:1])C1(C)C
[NH3+][C@@H](Cc1cccc(O)c1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@@H](Cc1cccc(O)c1)[*:1]
Cc1ccc(Cl)cc1NC(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3 Cc1ccc(Cl)cc1[*:1] O=C(C[C@@H]1CSc2nc3CCCCc3c(=O)n21)N[*:1]
C[C@@H](NC(=O)CCc1cccs1)c1cccc(S(N)(=O)=O)c1 c1csc(c1)C[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(c1)S(N)(=O)=O
C[C@@H](NC(=O)CCc1cccs1)c1cccc(S(N)(=O)=O)c1 c1csc(c1)[*:1] C[C@@H](NC(=O)CC[*:1])c1cccc(c1)S(N)(=O)=O
C[C@@H](NC(=O)CCc1cccs1)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)CCc1cccs1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)CCc1cccs1)c1cccc(S(N)(=O)=O)c1 c1csc(c1)CC[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)S(N)(=O)=O
COC[C@H](C)NC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 COC[C@H](C)[*:1] CC(C)c1noc(n1)-c1ccc(cc1)NC(=O)N[*:1]
COC[C@H](C)NC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 CC(C)[*:1] COC[C@H](C)NC(=O)Nc1ccc(cc1)-c1nc(no1)[*:1]
COC[C@H](C)NC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 COC[*:1] CC(C)c1noc(n1)-c1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
Cc1ccc(CN2CCN(CC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](NC(=O)CN2CCN(C[*:1])C2=O)[C@H]1C
Cc1ccc(CN2CCN(CC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 Cc1ccc(cc1)C[*:1] C[C@H]1CCC[C@H](NC(=O)CN2CCN(C2=O)[*:1])[C@H]1C
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1csc(n1)[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1csc(-c2cccs2)n1 NC(=O)[*:1] O=C(c1csc(n1)-c1cccs1)N1Cc2ccccc2C[C@H]1[*:1]
CCCc1cc(NC(=O)Nc2ccnn2C(C)C)n(C)n1 CC(C)[*:1] CCCc1cc(NC(=O)Nc2ccnn2[*:1])n(C)n1
CCCc1cc(NC(=O)Nc2ccnn2C(C)C)n(C)n1 CCC[*:1] CC(C)n1nccc1NC(=O)Nc1cc(nn1C)[*:1]
CCCN(Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)N[C@@H]1CCS(=O)(=O)C1
CCCN(Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)N(Cc1ccccc1)[*:1]
CCCN(Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] CCCN(C(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cccc(NC(=O)CSCc2cc(=O)n3nc(C)sc3n2)c1 Cc1cccc(c1)[*:1] Cc1nn2c(=O)cc(CSCC(=O)N[*:1])nc2s1
CCCc1cc(C(=O)Nn2c([O-])c3ccccc3nc2=S)cs1 CCC[*:1] O=C(Nn1c([O-])c2ccccc2nc1=S)c1csc(c1)[*:1]
COC[C@@H](O)CCCc1ccc2c(c1)CCO2 COC[C@@H](O)[*:1] c1cc2OCCc2cc1CCC[*:1]
COC[C@@H](O)CCCc1ccc2c(c1)CCO2 COC[*:1] O[C@@H](CCCc1ccc2OCCc2c1)[*:1]
Cc1n[nH]c(N)c1C(=O)N(C)C1CC1 C1CC1[*:1] Cc1n[nH]c(N)c1C(=O)N(C)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccccn3)cc2)cc1C Cc1ccc(cc1C)[*:1] CN(c1ccc(cc1)OC(=O)c1ccccn1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccccn3)cc2)cc1C O=C(O[*:1])c1ccccn1 Cc1ccc(cc1C)S(=O)(=O)N(C)c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccccn3)cc2)cc1C c1ccc(nc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N(C)c1ccc(cc1)OC(=O)[*:1]
CCOc1ccc(NC(=S)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 CCO[*:1] O=C([C@H]1CCCO1)N1CCN(CC1)C(=S)Nc1ccc(cc1)[*:1]
C[NH2+][C@@H](c1ccc(Cl)c(OC)c1)c1ccccn1 c1ccc(nc1)[*:1] C[NH2+][C@@H](c1ccc(Cl)c(c1)OC)[*:1]
Cc1cc(-c2cncnc2C2CCN(C(=O)c3cn(C)nc3C)CC2)on1 Cc1cc(on1)[*:1] Cc1nn(C)cc1C(=O)N1CCC(CC1)c1ncncc1[*:1]
Cc1cc(-c2cncnc2C2CCN(C(=O)c3cn(C)nc3C)CC2)on1 Cc1nn(C)cc1[*:1] Cc1cc(on1)-c1cncnc1C1CCN(CC1)C(=O)[*:1]
COc1ccccc1OCC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccccc1OCC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)N[*:1]
COc1ccccc1OCC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 COc1ccccc1[*:1] O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)CO[*:1])Nc1ccc(Cl)cc1
COc1ccccc1OCC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 O=C(C[*:1])Nc1ccc(Cl)cc1 COc1ccccc1OCC(=O)N1c2ccccc2NC(=O)[C@H]1[*:1]
COc1ccccc1OCC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] COc1ccccc1OCC(=O)N1c2ccccc2NC(=O)[C@@H]1C[*:1]
COc1ccccc1OCC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 COc1ccccc1O[*:1] O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)C[*:1])Nc1ccc(Cl)cc1
COc1ccccc1OCC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 COc1ccccc1OC[*:1] O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)[*:1])Nc1ccc(Cl)cc1
CCc1onc(C)c1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)c1cnn(c1)[*:1]
CCC[C@H]1C[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 CCC[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)N[C@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 CCC[C@H]1C[C@H]1[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)N[*:1]
O=S(=O)(/N=C(\[O-])[C@H]1C[C@H]1c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 Fc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1[*:1])c1cccc(c1)C(F)(F)F
O=S(=O)(/N=C(\[O-])[C@H]1C[C@H]1c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@H]1c1ccc(F)cc1)c1cccc(c1)[*:1]
O=C1N[C@H](CCc2ccccc2)C(=O)N1C[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C1N[C@H](CCc2ccccc2)C(=O)N1C[C@H](O)[*:1]
O=C1N[C@H](CCc2ccccc2)C(=O)N1C[C@H](O)c1cccc(F)c1 c1ccc(cc1)C[*:1] O=C1N[C@H](C[*:1])C(=O)N1C[C@H](O)c1cccc(F)c1
O=C1N[C@H](CCc2ccccc2)C(=O)N1C[C@H](O)c1cccc(F)c1 c1ccc(cc1)[*:1] O=C1N[C@H](CC[*:1])C(=O)N1C[C@H](O)c1cccc(F)c1
O=C1N[C@H](CCc2ccccc2)C(=O)N1C[C@H](O)c1cccc(F)c1 c1ccc(cc1)CC[*:1] O=C1N[C@H](C(=O)N1C[C@H](O)c1cccc(F)c1)[*:1]
CCN(C1CC1)[C@]1(C[NH3+])CCSC1 C1CC1[*:1] CCN([C@]1(C[NH3+])CCSC1)[*:1]
CCC[NH+]1CCC(N(C)C(=O)NCCc2c(F)cccc2F)CC1 Fc1cccc(F)c1[*:1] CCC[NH+]1CCC(CC1)N(C)C(=O)NCC[*:1]
CCC[NH+]1CCC(N(C)C(=O)NCCc2c(F)cccc2F)CC1 CCC[*:1] CN(C(=O)NCCc1c(F)cccc1F)C1CC[NH+](CC1)[*:1]
CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCC(C)C)cc2)c2ccccc21 CC(C)[*:1] CCn1c(=O)c(=O)n(Cc2ccc(cc2)C(=O)NCC[*:1])c2ccccc21
CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCC(C)C)cc2)c2ccccc21 CC(C)CC[*:1] CCn1c(=O)c(=O)n(Cc2ccc(cc2)C(=O)N[*:1])c2ccccc21
CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCC(C)C)cc2)c2ccccc21 CC(C)C[*:1] CCn1c(=O)c(=O)n(Cc2ccc(cc2)C(=O)NC[*:1])c2ccccc21
CCn1c(=O)c(=O)n(Cc2ccc(C(=O)NCCC(C)C)cc2)c2ccccc21 CC(C)CCNC(=O)[*:1] CCn1c(=O)c(=O)n(Cc2ccc(cc2)[*:1])c2ccccc21
CCN(C[C@H](C)C#N)C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O c1ccc(cc1)[*:1] CCN(C[C@H](C)C#N)C(=O)Cn1cnc2c(cnn2[*:1])c1=O
Cc1nc(-c2ccccc2)sc1CNC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] Cc1nc(sc1CNC(=O)N1CCOC[C@@H]1[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1CNC(=O)N1CCOC[C@H]1C1CC1 c1ccc(cc1)[*:1] Cc1nc(sc1CNC(=O)N1CCOC[C@H]1C1CC1)[*:1]
CCN(C(C)=O)c1nc(/C=C/C(=O)c2cc(F)cc(F)c2)cs1 CCN(C(C)=O)[*:1] O=C(/C=C/c1csc(n1)[*:1])c1cc(F)cc(F)c1
Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C[C@@H]([NH2+]C[C@@H]1CCN(C1)S(C)(=O)=O)[*:1]
Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@@H](C[*:1])[NH2+]C[C@@H]1CCN(C1)S(C)(=O)=O
CC(C)c1ccc(NC(=O)Cn2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)cc1 Clc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)Cn1cnc2onc(c2c1=O)[*:1]
CC(C)c1ccc(NC(=O)Cn2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)cc1 CC(C)c1ccc(cc1)[*:1] O=C(Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O)N[*:1]
CC(C)c1ccc(NC(=O)Cn2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)cc1 CC(C)[*:1] O=C(Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O)Nc1ccc(cc1)[*:1]
C/C(=N\NC(=O)C[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=NNC(=O)C[NH+]1CCN(CC1)c1ccccc1)[*:1]
C/C(=N\NC(=O)C[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 c1ccc(cc1)[*:1] C/C(=N\NC(=O)C[NH+]1CCN(CC1)[*:1])c1ccc(F)cc1
CN(C)c1nc(N)nc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)n1 c1ccc(cc1)[*:1] CN(C)c1nc(N)nc(CN2C(=O)N[C@H](C[*:1])C2=O)n1
CN(C)c1nc(N)nc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)n1 CN(C)[*:1] Nc1nc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)nc(n1)[*:1]
CN(C)c1nc(N)nc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)n1 c1ccc(cc1)C[*:1] CN(C)c1nc(N)nc(CN2C(=O)N[C@H](C2=O)[*:1])n1
CC1(C(=O)NC[C@@H](O)CO)CCCC1 OC[C@H](O)[*:1] CC1(CCCC1)C(=O)NC[*:1]
C[C@H]1Cc2cc(C(=O)N(C)Cc3ccccc3)ccc2N1S(C)(=O)=O c1ccc(cc1)C[*:1] C[C@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)N(C)[*:1]
C[C@H]1Cc2cc(C(=O)N(C)Cc3ccccc3)ccc2N1S(C)(=O)=O c1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)N(C)C[*:1]
CCn1nnc2cc(C(=O)Nc3cc(-c4ncco4)ccc3C)ccc21 c1coc(n1)[*:1] CCn1nnc2cc(ccc21)C(=O)Nc1cc(ccc1C)[*:1]
Cc1cccc(CNC(=O)C(=O)Nc2ccc(OC(F)F)cc2)c1 Cc1cccc(c1)C[*:1] O=C(Nc1ccc(cc1)OC(F)F)C(=O)N[*:1]
Cc1cccc(CNC(=O)C(=O)Nc2ccc(OC(F)F)cc2)c1 FC(F)O[*:1] Cc1cccc(c1)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(CNC(=O)C(=O)Nc2ccc(OC(F)F)cc2)c1 FC(F)[*:1] Cc1cccc(c1)CNC(=O)C(=O)Nc1ccc(cc1)O[*:1]
Cc1cccc(CNC(=O)C(=O)Nc2ccc(OC(F)F)cc2)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)OC(F)F
CC(C)N(C)C(=O)C1CCN(C(=O)[C@@H](C)Sc2ccccc2)CC1 c1ccc(cc1)S[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)[C@@H](C)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)[C@@H](C)Sc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)[C@@H](C)S[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)[C@@H](C)Sc2ccccc2)CC1 CC(C)N(C)C(=O)[*:1] C[C@@H](Sc1ccccc1)C(=O)N1CCC(CC1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)[C@@H](C)Sc2ccccc2)CC1 CC(C)[*:1] C[C@@H](Sc1ccccc1)C(=O)N1CCC(CC1)C(=O)N(C)[*:1]
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(N[C@H](c1nc2ccccc2[nH]1)[*:1])c1ccc(Cl)cc1Cl
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 Clc1ccc(c(Cl)c1)[*:1] CC(C)[C@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
O=C([O-])CCCNC(=O)Cc1csc(-c2ccsc2)n1 O=C([O-])[*:1] O=C(Cc1csc(n1)-c1ccsc1)NCCC[*:1]
O=C([O-])CCCNC(=O)Cc1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] O=C([O-])CCCNC(=O)Cc1csc(n1)[*:1]
O=C([O-])CCCNC(=O)Cc1csc(-c2ccsc2)n1 O=C([O-])C[*:1] O=C(Cc1csc(n1)-c1ccsc1)NCC[*:1]
O=C([O-])CCCNC(=O)Cc1csc(-c2ccsc2)n1 O=C([O-])CCC[*:1] O=C(Cc1csc(n1)-c1ccsc1)N[*:1]
O=C([O-])CCCNC(=O)Cc1csc(-c2ccsc2)n1 O=C([O-])CC[*:1] O=C(Cc1csc(n1)-c1ccsc1)NC[*:1]
Cc1cccc(Cn2c(CCCNC(=O)C(C)C)nc3ccccc32)c1 Cc1cccc(c1)C[*:1] CC(C)C(=O)NCCCc1nc2ccccc2n1[*:1]
Cc1cccc(Cn2c(CCCNC(=O)C(C)C)nc3ccccc32)c1 CC(C)C(=O)N[*:1] Cc1cccc(c1)Cn1c(CCC[*:1])nc2ccccc21
Cc1cccc(Cn2c(CCCNC(=O)C(C)C)nc3ccccc32)c1 Cc1cccc(c1)[*:1] CC(C)C(=O)NCCCc1nc2ccccc2n1C[*:1]
Cc1cccc(Cn2c(CCCNC(=O)C(C)C)nc3ccccc32)c1 CC(C)C(=O)NCC[*:1] Cc1cccc(c1)Cn1c(C[*:1])nc2ccccc21
Cc1cccc(Cn2c(CCCNC(=O)C(C)C)nc3ccccc32)c1 CC(C)[*:1] Cc1cccc(c1)Cn1c(CCCNC(=O)[*:1])nc2ccccc21
Cc1cccc(Cn2c(CCCNC(=O)C(C)C)nc3ccccc32)c1 CC(C)C(=O)NC[*:1] Cc1cccc(c1)Cn1c(CC[*:1])nc2ccccc21
COc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)n1 c1csc(c1)[*:1] COc1cccc(n1)C(=O)Nc1nc(cs1)[*:1]
C[C@@H](Cn1cncn1)NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 c1ncn(C[*:1])n1 C[C@H]1CN(CCC2CCN(CC2)C(=O)N[C@H](C)[*:1])C[C@H](C)O1
C[C@@H](Cn1cncn1)NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 c1ncn(n1)[*:1] C[C@@H](C[*:1])NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1
C[C@@H](Cn1cncn1)NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 C[C@@H](Cn1cncn1)[*:1] C[C@H]1CN(CCC2CCN(CC2)C(=O)N[*:1])C[C@H](C)O1
C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)[NH+]1CCN(CC1)[*:1]
COCCS(=O)(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 COC[*:1] C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)C[*:1]
COCCS(=O)(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 COCC[*:1] C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)[*:1]
Clc1ccc(-c2nnc(-c3ccncc3)o2)c(Cl)c1 c1cc(ccn1)[*:1] Clc1ccc(-c2nnc(o2)[*:1])c(Cl)c1
COC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1cccc[nH+]1)C(F)(F)F Clc1ccccc1[*:1] COC(=O)[C@](NC(=O)[*:1])(Nc1cccc[nH+]1)C(F)(F)F
COC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1cccc[nH+]1)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1cccc[nH+]1)[*:1]
COC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1cccc[nH+]1)C(F)(F)F COC(=O)[*:1] O=C(N[C@](Nc1cccc[nH+]1)(C(F)(F)F)[*:1])c1ccccc1Cl
CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1nccnc1Cl CC(C)(C)[*:1] O=C(O[*:1])N1CCCC[C@H]1CNCc1nccnc1Cl
CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1nccnc1Cl Clc1nccnc1[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1CNC[*:1]
C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H]([NH2+]Cc1cccc2OCCCOc12)[*:1]
COCCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl COC[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)OC[*:1]
COCCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl COCCOC(=O)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=C(C#N)[*:1]
COCCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl COCC[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)O[*:1]
COCCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl Fc1ccc(cc1)[*:1] COCCOC(=O)/C(C#N)=C/c1c(C)nn(c1Cl)[*:1]
O=C(Nc1sccc1C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccnc1 O=[N+]([O-])[*:1] O=C(Nc1sccc1C(=O)Nc1cccc(c1)[*:1])c1cccnc1
O=C(Nc1sccc1C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1ccsc1NC(=O)[*:1]
Cc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)c4ccccc4)c3)[C@H]2C(N)=O)cc1 Cc1ccc(cc1)C[*:1] NC(=O)[C@@H]1[C@H](OC(=O)N1[*:1])c1cccc(c1)NC(=O)c1ccccc1
Cc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)c4ccccc4)c3)[C@H]2C(N)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)CN1C(=O)O[C@H](c2cccc(c2)NC(=O)c2ccccc2)[C@@H]1[*:1]
Cc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)c4ccccc4)c3)[C@H]2C(N)=O)cc1 O=C(N[*:1])c1ccccc1 Cc1ccc(cc1)CN1C(=O)O[C@H](c2cccc(c2)[*:1])[C@H]1C(N)=O
Cc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)c4ccccc4)c3)[C@H]2C(N)=O)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@@H]1[C@H](OC(=O)N1C[*:1])c1cccc(c1)NC(=O)c1ccccc1
Cc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)c4ccccc4)c3)[C@H]2C(N)=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)O[C@H](c2cccc(c2)NC(=O)[*:1])[C@H]1C(N)=O
Cc1c(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCO2)cccc1C(=O)[O-] O=C(N[*:1])[C@@H]1CCCO1 Cc1c(cccc1C(=O)[O-])NC(=O)c1ccccc1[*:1]
Cc1c(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCO2)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccccc1NC(=O)[C@@H]1CCCO1
NC(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F NC(=O)C[*:1] O=C(O[*:1])c1cnn(-c2ccc(F)cc2)c1C(F)(F)F
NC(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F NC(=O)COC(=O)[*:1] Fc1ccc(cc1)-n1ncc(c1C(F)(F)F)[*:1]
NC(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F FC(F)(F)[*:1] NC(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1[*:1]
NC(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F Fc1ccc(cc1)[*:1] NC(=O)COC(=O)c1cnn(c1C(F)(F)F)[*:1]
NC(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F NC(=O)[*:1] O=C(OC[*:1])c1cnn(-c2ccc(F)cc2)c1C(F)(F)F
CCCOc1ccc(Br)cc1S(=O)(=O)N(CC)CC CCC[*:1] CCN(CC)S(=O)(=O)c1cc(Br)ccc1O[*:1]
CCCOc1ccc(Br)cc1S(=O)(=O)N(CC)CC CCCO[*:1] CCN(CC)S(=O)(=O)c1cc(Br)ccc1[*:1]
Fc1ccccc1CC1CC[NH+](Cc2nccs2)CC1 c1csc(n1)[*:1] Fc1ccccc1CC1CC[NH+](CC1)C[*:1]
Fc1ccccc1CC1CC[NH+](Cc2nccs2)CC1 c1csc(C[*:1])n1 Fc1ccccc1CC1CC[NH+](CC1)[*:1]
Cc1cccc(NC2CC[NH+](Cc3ncn(-c4ccccc4)n3)CC2)c1 Cc1cccc(c1)N[*:1] c1ccc(cc1)-n1cnc(C[NH+]2CCC(CC2)[*:1])n1
Cc1cccc(NC2CC[NH+](Cc3ncn(-c4ccccc4)n3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC1CC[NH+](CC1)Cc1ncn(n1)[*:1]
Cc1cccc(NC2CC[NH+](Cc3ncn(-c4ccccc4)n3)CC2)c1 Cc1cccc(c1)[*:1] c1ccc(cc1)-n1cnc(C[NH+]2CCC(CC2)N[*:1])n1
Cc1noc(C)c1CN(C)C(=O)[C@H]1C[C@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1noc(C)c1CN(C)C(=O)[C@H]1C[C@@H]1[*:1]
N#Cc1ccccc1C(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 N#Cc1ccccc1[*:1] O=C(N1CCC[C@@H](COc2cccc(F)c2)C1)[*:1]
N#Cc1ccccc1C(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] N#Cc1ccccc1C(=O)N1CCC[C@@H](CO[*:1])C1
N#Cc1ccccc1C(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 Fc1cccc(c1)O[*:1] N#Cc1ccccc1C(=O)N1CCC[C@H](C1)C[*:1]
Cc1ccc(Oc2ccc(NC(=O)c3cc(C#N)cn3C)cc2)nn1 Cn1cc(C#N)cc1[*:1] Cc1ccc(nn1)Oc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(Oc2ccc(NC(=O)c3cc(C#N)cn3C)cc2)nn1 Cc1ccc(nn1)[*:1] Cn1cc(C#N)cc1C(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(Oc2ccc(NC(=O)c3cc(C#N)cn3C)cc2)nn1 Cc1ccc(nn1)O[*:1] Cn1cc(C#N)cc1C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(C)c1N(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O Cc1cccc(C)c1[*:1] CC(C)c1ccccc1NC(=O)CN(S(C)(=O)=O)[*:1]
Cc1cccc(C)c1N(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O CC(C)[*:1] Cc1cccc(C)c1N(CC(=O)Nc1ccccc1[*:1])S(C)(=O)=O
O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccccc1-c1ccncc1 C1CN(CCO1)[*:1] O=C(NC[C@@H](O)C[*:1])Nc1ccccc1-c1ccncc1
O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccccc1-c1ccncc1 c1cc(ccn1)[*:1] O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccccc1[*:1]
O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccccc1-c1ccncc1 C1CN(CCO1)C[*:1] O=C(NC[C@@H](O)[*:1])Nc1ccccc1-c1ccncc1
C[C@@H]1Oc2ccccc2N(CC(C)(C)CS)C1=O CC(C)(CS)[*:1] C[C@@H]1Oc2ccccc2N(C[*:1])C1=O
C[C@@H]1Oc2ccccc2N(CC(C)(C)CS)C1=O CC(C)(CS)C[*:1] C[C@@H]1Oc2ccccc2N(C1=O)[*:1]
COc1cc(C)c([N-]S(=O)(=O)C[C@H](C)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1cc(C)c(cc1OC)[N-]S(=O)(=O)C[C@H](C)[*:1]
COc1cc(C)c([N-]S(=O)(=O)C[C@H](C)c2ccccc2)cc1OC C[C@H](c1ccccc1)[*:1] COc1cc(C)c(cc1OC)[N-]S(=O)(=O)C[*:1]
[NH3+]Cc1cc(F)c(OCC[C@@H]2CCCO2)c(F)c1 C1CO[C@@H](C1)[*:1] [NH3+]Cc1cc(F)c(OCC[*:1])c(F)c1
[NH3+]Cc1cc(F)c(OCC[C@@H]2CCCO2)c(F)c1 C1CO[C@@H](C1)C[*:1] [NH3+]Cc1cc(F)c(OC[*:1])c(F)c1
O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cn(nn1)[*:1]
Cc1cnn([C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)N2CCOCC2)c1 Cc1cnn(c1)[*:1] C[C@H]([NH2+][C@H](C)[C@@H](C)[*:1])C(=O)N1CCOCC1
CC[C@H](CSC)N(C)C(=O)N[C@H]1CCOC2(CCCCC2)C1 CSC[*:1] CC[C@H](N(C)C(=O)N[C@H]1CCOC2(CCCCC2)C1)[*:1]
C#CCCN1CCN(c2[nH]c3ccccc3[nH+]2)CC1 C#CC[*:1] c1ccc2[nH+]c([nH]c2c1)N1CCN(CC1)C[*:1]
C#CCCN1CCN(c2[nH]c3ccccc3[nH+]2)CC1 C#CCC[*:1] c1ccc2[nH+]c([nH]c2c1)N1CCN(CC1)[*:1]
O=S(=O)(/N=C(\[O-])CCSc1ccccc1F)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=S(=O)(/N=C(\[O-])CCSc1ccccc1F)[*:1]
O=S(=O)(/N=C(\[O-])CCSc1ccccc1F)c1ccc(Cl)s1 Fc1ccccc1[*:1] O=S(=O)(/N=C(\[O-])CCS[*:1])c1ccc(Cl)s1
CC[NH2+][C@@H](Cc1cnn(C)c1)C1(N(C)C)CCCC1 Cn1cc(cn1)[*:1] CC[NH2+][C@@H](C[*:1])C1(CCCC1)N(C)C
CC[NH2+][C@@H](Cc1cnn(C)c1)C1(N(C)C)CCCC1 CN(C)[*:1] CC[NH2+][C@@H](Cc1cnn(C)c1)C1(CCCC1)[*:1]
COC(=O)c1c(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)CSc2ncnc3sc(cc23)-c2ccccc2)c(c1C)[*:1]
COC(=O)c1c(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)sc(C)c1C c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)CSc2ncnc3sc(cc23)[*:1])sc(C)c1C
COCCC(=O)Nc1ccc2c(c1)CN(Cc1cccc3nonc13)CC2 COC[*:1] O=C(C[*:1])Nc1ccc2CCN(Cc2c1)Cc1cccc2nonc12
COCCC(=O)Nc1ccc2c(c1)CN(Cc1cccc3nonc13)CC2 COCCC(=O)N[*:1] c1cc(CN2CCc3ccc(cc3C2)[*:1])c2nonc2c1
COCCC(=O)Nc1ccc2c(c1)CN(Cc1cccc3nonc13)CC2 COCC[*:1] O=C(Nc1ccc2CCN(Cc2c1)Cc1cccc2nonc12)[*:1]
COCCC(=O)Nc1ccc2c(c1)CN(Cc1cccc3nonc13)CC2 c1cc(c2nonc2c1)[*:1] COCCC(=O)Nc1ccc2CCN(Cc2c1)C[*:1]
COc1ccc(F)cc1-c1csc(NC(=O)c2cc3sccc3n2C(C)C)n1 CC(C)[*:1] COc1ccc(F)cc1-c1csc(n1)NC(=O)c1cc2sccc2n1[*:1]
COc1ccc(F)cc1-c1csc(NC(=O)c2cc3sccc3n2C(C)C)n1 COc1ccc(F)cc1[*:1] CC(C)n1c(cc2sccc21)C(=O)Nc1nc(cs1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(CCOC(C)C)CC2)c(Cl)c1 CC(C)OC[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1ccc(S(=O)(=O)N2CCN(CCOC(C)C)CC2)c(Cl)c1 CC(C)OCC[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(CCOC(C)C)CC2)c(Cl)c1 CC(C)O[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)N1CCN(CC1)CC[*:1]
Cc1ccc(S(=O)(=O)N2CCN(CCOC(C)C)CC2)c(Cl)c1 CC(C)[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)N1CCN(CCO[*:1])CC1
Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(C(C)(C)C)cc1 c1coc(c1)C[*:1] Cn1c(nnc1-c1ccc(cc1)C(C)(C)C)SCC(=O)NC(=O)N[*:1]
Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(C(C)(C)C)cc1 CC(C)(C)c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)NC(=O)NCc1ccco1
Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(C(C)(C)C)cc1 c1coc(c1)[*:1] Cn1c(nnc1-c1ccc(cc1)C(C)(C)C)SCC(=O)NC(=O)NC[*:1]
Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] Cn1c(nnc1-c1ccc(cc1)[*:1])SCC(=O)NC(=O)NCc1ccco1
CC[C@@H](CNC(=O)NC[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 O=S1(=O)CC[C@@H](C1)[*:1] CC[C@@H](CNC(=O)NC[*:1])[NH+]1CCCC1
CCC[C@H]1CN(C(=O)c2ccc(CO)cc2)C[C@@H]1[NH+](C)C CCC[*:1] C[NH+](C)[C@H]1CN(C[C@@H]1[*:1])C(=O)c1ccc(cc1)CO
Cc1cc(NC(=O)N(CCC(F)(F)F)C2CCC2)ccc1F FC(F)(F)[*:1] Cc1cc(ccc1F)NC(=O)N(CC[*:1])C1CCC1
Cc1cc(NC(=O)N(CCC(F)(F)F)C2CCC2)ccc1F FC(F)(F)CC[*:1] Cc1cc(ccc1F)NC(=O)N(C1CCC1)[*:1]
Cc1cc(NC(=O)N(CCC(F)(F)F)C2CCC2)ccc1F C1CC(C1)[*:1] Cc1cc(ccc1F)NC(=O)N(CCC(F)(F)F)[*:1]
Cc1cc(NC(=O)N(CCC(F)(F)F)C2CCC2)ccc1F FC(F)(F)C[*:1] Cc1cc(ccc1F)NC(=O)N(C[*:1])C1CCC1
O=C(CCc1c(F)cccc1F)NCc1cnn(Cc2ccccc2)c1 Fc1cccc(F)c1[*:1] O=C(CC[*:1])NCc1cnn(c1)Cc1ccccc1
O=C(CCc1c(F)cccc1F)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(CCc1c(F)cccc1F)NCc1cnn(c1)[*:1]
O=C(CCc1c(F)cccc1F)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(CCc1c(F)cccc1F)NCc1cnn(c1)C[*:1]
COCCCn1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n1 COCC[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Nc1ccn(C[*:1])n1
COCCCn1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n1 COCCC[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Nc1ccn(n1)[*:1]
COCCCn1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n1 COC[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Nc1ccn(CC[*:1])n1
CC[C@@H](C)Sc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1 CC[C@@H](C)S[*:1] Cc1cc(C)n2nc(nc2n1)SCc1nnc(o1)[*:1]
CC[C@@H](C)Sc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1 CC[C@@H](C)[*:1] Cc1cc(C)n2nc(nc2n1)SCc1nnc(o1)S[*:1]
O=C(Cc1cccs1)Nc1ccc(N2C(=O)CCCC2=O)cc1 c1csc(c1)[*:1] O=C(C[*:1])Nc1ccc(cc1)N1C(=O)CCCC1=O
O=C(Cc1cccs1)Nc1ccc(N2C(=O)CCCC2=O)cc1 c1csc(c1)C[*:1] O=C1CCCC(=O)N1c1ccc(cc1)NC(=O)[*:1]
CCCOC[C@H](O)c1ccccc1Br CCCO[*:1] O[C@@H](C[*:1])c1ccccc1Br
CCCOC[C@H](O)c1ccccc1Br CCC[*:1] O[C@@H](CO[*:1])c1ccccc1Br
COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCC(Cc3ccccc3)CC2)c(C)c1 c1ccc(cc1)C[*:1] COc1ccc(c(C)c1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCC(CC1)[*:1]
COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCC(Cc3ccccc3)CC2)c(C)c1 c1ccc(cc1)[*:1] COc1ccc(c(C)c1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCC(CC1)C[*:1]
COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCC(Cc3ccccc3)CC2)c(C)c1 COc1ccc(c(C)c1)[*:1] O=S1(=O)C[C@@H]([C@H](C1)S(=O)(=O)[*:1])N1CCC(CC1)Cc1ccccc1
Cc1nn(Cn2ccc(C(=O)NC3CC3)n2)c(C)c1Cl O=C(NC1CC1)[*:1] Cc1nn(Cn2ccc(n2)[*:1])c(C)c1Cl
Cc1nn(Cn2ccc(C(=O)NC3CC3)n2)c(C)c1Cl C1CC1[*:1] Cc1nn(Cn2ccc(n2)C(=O)N[*:1])c(C)c1Cl
O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)[*:1]
CCn1c(C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc2ccccc21 CS(=O)(=O)[*:1] CCn1c(cc2ccccc21)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
Cc1cc(C(=O)N(C)Cc2cccc(Cl)c2)c2c(=O)[nH]n(C)c2n1 Clc1cccc(c1)[*:1] Cc1cc(C(=O)N(C)C[*:1])c2c(=O)[nH]n(C)c2n1
Cc1cc(C(=O)N(C)Cc2cccc(Cl)c2)c2c(=O)[nH]n(C)c2n1 Clc1cccc(c1)C[*:1] Cc1cc(C(=O)N(C)[*:1])c2c(=O)[nH]n(C)c2n1
Cc1nsc(N(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(c1[*:1])N(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+]
Cc1nn(Cc2ccccc2)c(C)c1CN1[C@@H](C)COC[C@H]1C c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CN1[C@@H](C)COC[C@H]1C
Cc1nn(Cc2ccccc2)c(C)c1CN1[C@@H](C)COC[C@H]1C c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CN1[C@@H](C)COC[C@H]1C)[*:1]
COc1ncnc(N)c1CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 Fc1cccc(c1)[*:1] COc1ncnc(N)c1CN1CCC[C@@H](C1)c1nc(no1)[*:1]
COc1ncnc(N)c1CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 COc1ncnc(N)c1[*:1] Fc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C[*:1]
O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Br)N1CCOCC1 Brc1ccc(c(Br)c1)[*:1] O=C([C@@H]1CCCN1S(=O)(=O)[*:1])N1CCOCC1
O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Br)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)(c1ccc(Br)cc1Br)N1CCC[C@H]1[*:1]
O=C(CC1CCC1)NC1CCC(C(=O)N2CCSCC2)CC1 C1CC(C1)C[*:1] O=C(C1CCC(CC1)NC(=O)[*:1])N1CCSCC1
O=C(CC1CCC1)NC1CCC(C(=O)N2CCSCC2)CC1 C1CC(C1)[*:1] O=C(C[*:1])NC1CCC(CC1)C(=O)N1CCSCC1
Cc1[nH]c2ccccc2c1C(=O)C[NH+](Cc1ccc(F)cc1)C1CC1 Fc1ccc(cc1)C[*:1] Cc1[nH]c2ccccc2c1C(=O)C[NH+](C1CC1)[*:1]
Cc1[nH]c2ccccc2c1C(=O)C[NH+](Cc1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] Cc1[nH]c2ccccc2c1C(=O)C[NH+](C[*:1])C1CC1
O=C(Nc1ccc(OC(F)(F)F)cc1)c1csc2c1CCCC2 FC(F)(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1csc2CCCCc12
O=C(Nc1ccc(OC(F)(F)F)cc1)c1csc2c1CCCC2 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1csc2CCCCc12
CC(C)CCC(=O)NNC(=O)CSc1nncs1 CC(C)CC[*:1] O=C(CSc1nncs1)NNC(=O)[*:1]
CC(C)CCC(=O)NNC(=O)CSc1nncs1 c1nnc(S[*:1])s1 CC(C)CCC(=O)NNC(=O)C[*:1]
CC(C)CCC(=O)NNC(=O)CSc1nncs1 c1nnc(s1)[*:1] CC(C)CCC(=O)NNC(=O)CS[*:1]
CC(C)CCC(=O)NNC(=O)CSc1nncs1 CC(C)[*:1] O=C(CC[*:1])NNC(=O)CSc1nncs1
CC(C)CCC(=O)NNC(=O)CSc1nncs1 CC(C)C[*:1] O=C(CSc1nncs1)NNC(=O)C[*:1]
Cc1csc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)n1 Cc1csc(n1)[*:1] Cc1nc(cs1)C[NH+]1CCC(CC1)C(=O)N[*:1]
Cc1csc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)n1 Cc1nc(cs1)C[*:1] Cc1csc(n1)NC(=O)C1CC[NH+](CC1)[*:1]
Cc1csc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)n1 Cc1nc(cs1)[*:1] Cc1csc(n1)NC(=O)C1CC[NH+](CC1)C[*:1]
C[C@H](NCc1ncc(-c2ccccc2)s1)C(=O)N1CCCC[C@H]1C c1ccc(cc1)[*:1] C[C@H](NCc1ncc(s1)[*:1])C(=O)N1CCCC[C@H]1C
Cc1cc2nc(SCC(=O)[O-])[nH]c(=O)c2[nH]1 O=C([O-])CS[*:1] Cc1cc2nc([nH]c(=O)c2[nH]1)[*:1]
Cc1cc2nc(SCC(=O)[O-])[nH]c(=O)c2[nH]1 O=C([O-])C[*:1] Cc1cc2nc([nH]c(=O)c2[nH]1)S[*:1]
Cc1cc2nc(SCC(=O)[O-])[nH]c(=O)c2[nH]1 O=C([O-])[*:1] Cc1cc2nc([nH]c(=O)c2[nH]1)SC[*:1]
CCN(CC)C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCN(CC)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1[*:1]
CCn1cc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1=O FC(F)(F)[*:1] CCn1cc(ccc1=O)NC(=O)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
O=C1O[C@@H]([C@@H](O)[C@@H](O)CO)[C@@H](O)[C@@H]1O OC[C@H](O)[*:1] O=C1O[C@H]([C@@H](O)[C@@H]1O)[C@@H](O)[*:1]
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 c1cc2OCOc2cc1[*:1] O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 Clc1cc(Cl)c(c(Cl)c1)[*:1] O=C(NN[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCOc2c1
CN(C)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 CN(C)C(=O)CC[*:1] O=S(=O)(N[*:1])c1ccc(cc1)OC(F)(F)F
CN(C)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CN(C)C(=O)CCNS(=O)(=O)c1ccc(cc1)O[*:1]
CN(C)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 CN(C)C(=O)[*:1] O=S(=O)(NCC[*:1])c1ccc(cc1)OC(F)(F)F
CN(C)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 CN(C)C(=O)C[*:1] O=S(=O)(NC[*:1])c1ccc(cc1)OC(F)(F)F
CN(C)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CN(C)C(=O)CCNS(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccccc1COc1cccc(NC(=O)C(=O)NCc2ncn(C)n2)c1 Cc1ccccc1CO[*:1] Cn1cnc(CNC(=O)C(=O)Nc2cccc(c2)[*:1])n1
Cc1ccccc1COc1cccc(NC(=O)C(=O)NCc2ncn(C)n2)c1 Cc1ccccc1[*:1] Cn1cnc(CNC(=O)C(=O)Nc2cccc(c2)OC[*:1])n1
Cc1ccccc1COc1cccc(NC(=O)C(=O)NCc2ncn(C)n2)c1 Cc1ccccc1C[*:1] Cn1cnc(CNC(=O)C(=O)Nc2cccc(c2)O[*:1])n1
CCOc1ccc(NC(=O)Oc2ccccc2)cn1 CCO[*:1] O=C(Nc1ccc(nc1)[*:1])Oc1ccccc1
CCOc1ccc(NC(=O)Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CCOc1ccc(cn1)NC(=O)O[*:1]
C[C@@H]([NH3+])[C@H]1CCOC2(CCC2)C1 C[C@@H]([NH3+])[*:1] C1CC2(C1)C[C@H](CCO2)[*:1]
O=C(C[C@@H](c1ccc(Cl)cc1)C1C(=O)NC(=S)NC1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1NC(=S)NC(=O)C1[C@@H](CC(=O)[*:1])c1ccc(Cl)cc1
O=C(C[C@@H](c1ccc(Cl)cc1)C1C(=O)NC(=S)NC1=O)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] O=C1NC(=S)NC(=O)C1[C@@H](C[*:1])c1ccc(Cl)cc1
O=C(C[C@@H](c1ccc(Cl)cc1)C1C(=O)NC(=S)NC1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C[C@@H](C1C(=O)NC(=S)NC1=O)[*:1])c1ccc(Cl)cc1
Cc1cc(C)c(NC(=O)CNC(=O)CC(c2ccccc2)c2ccccc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CC(c1ccccc1)c1ccccc1)NCC(=O)N[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)CC(c2ccccc2)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)CC(c2ccccc2)[*:1])c(C)c1
CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2COCCO2)C1(CC)CC CCO[*:1] CCC1(CC)[C@H](C[C@H]1[*:1])N(C)C(=O)[C@@H]1COCCO1
CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2COCCO2)C1(CC)CC C1CO[C@@H](CO1)[*:1] CCO[C@@H]1C[C@H](N(C)C(=O)[*:1])C1(CC)CC
CNC(=O)c1cccc(C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)c1 CNC(=O)[*:1] CO[C@]1(C)C[C@@H](NC(=O)c2cccc(c2)[*:1])C1(C)C
O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 Clc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1n[nH]c2ccccc12
CC(=O)c1ccc(N2CCN(c3nc4nonc4nc3NCc3cccs3)CC2)cc1 c1csc(c1)CN[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)c1nc2nonc2nc1[*:1]
CC(=O)c1ccc(N2CCN(c3nc4nonc4nc3NCc3cccs3)CC2)cc1 c1csc(c1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)c1nc2nonc2nc1NC[*:1]
CC(=O)c1ccc(N2CCN(c3nc4nonc4nc3NCc3cccs3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] c1csc(c1)CNc1nc2nonc2nc1N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(c3nc4nonc4nc3NCc3cccs3)CC2)cc1 c1csc(c1)C[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)c1nc2nonc2nc1N[*:1]
CC(=O)c1ccc(N2CCN(c3nc4nonc4nc3NCc3cccs3)CC2)cc1 CC(=O)[*:1] c1csc(c1)CNc1nc2nonc2nc1N1CCN(CC1)c1ccc(cc1)[*:1]
Cc1nnc(-c2cccc(NC(=O)C(=O)NC[C@@H](O)CC(C)C)c2)o1 CC(C)[*:1] Cc1nnc(o1)-c1cccc(c1)NC(=O)C(=O)NC[C@@H](O)C[*:1]
Cc1nnc(-c2cccc(NC(=O)C(=O)NC[C@@H](O)CC(C)C)c2)o1 Cc1nnc(o1)[*:1] CC(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1nnc(-c2cccc(NC(=O)C(=O)NC[C@@H](O)CC(C)C)c2)o1 CC(C)C[*:1] Cc1nnc(o1)-c1cccc(c1)NC(=O)C(=O)NC[C@@H](O)[*:1]
O=C(CCCc1ccccc1)NCc1ccccn1 c1ccc(cc1)[*:1] O=C(CCC[*:1])NCc1ccccn1
O=C(CCCc1ccccc1)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(CCCc1ccccc1)NC[*:1]
CCOC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2C)C1 CNS(=O)(=O)[*:1] CCOC[C@H]1CCN(C1)C(=O)c1cc(ccc1C)[*:1]
CCOC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2C)C1 CCO[*:1] CNS(=O)(=O)c1ccc(C)c(c1)C(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2C)C1 CCOC[*:1] CNS(=O)(=O)c1ccc(C)c(c1)C(=O)N1CC[C@@H](C1)[*:1]
CCn1c(=O)oc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc21 c1ccc(cc1)[*:1] CCn1c(=O)oc2ccc(cc21)C(=O)N1CCN(CC1)C[*:1]
CCn1c(=O)oc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc21 c1ccc(cc1)C[*:1] CCn1c(=O)oc2ccc(cc21)C(=O)N1CCN(CC1)[*:1]
Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Nn1c(nnc1S[*:1])N/N=C/c1cccc(c1)[N+](=O)[O-]
Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCc1ccc(F)cc1 O=[N+]([O-])c1cccc(c1)[*:1] Nn1c(nnc1SCc1ccc(F)cc1)NN=C[*:1]
Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCc1ccc(F)cc1 O=[N+]([O-])[*:1] Nn1c(nnc1SCc1ccc(F)cc1)N/N=C/c1cccc(c1)[*:1]
Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Nn1c(nnc1SC[*:1])N/N=C/c1cccc(c1)[N+](=O)[O-]
Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCc1ccc(F)cc1 Fc1ccc(cc1)CS[*:1] Nn1c(nnc1[*:1])N/N=C/c1cccc(c1)[N+](=O)[O-]
Cc1ccsc1C(=O)NN1Cc2ccccc2C1 Cc1ccsc1[*:1] O=C(NN1Cc2ccccc2C1)[*:1]
NC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 NC(=O)[*:1] O=C(c1ccc(cc1)-c1cc(F)c(F)c(F)c1)N1CCC[C@H]1[*:1]
COC[C@@](C)(NC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@](C)(NC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
COC[C@@](C)(NC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1 c1cn(nn1)[*:1] COC[C@@](C)(NC(=O)c1ccc(cc1)[*:1])c1ccccc1
COC[C@@](C)(NC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1 COC[*:1] C[C@@](NC(=O)c1ccc(cc1)-n1ccnn1)(c1ccccc1)[*:1]
Cc1cc2occ(CC(=O)Nc3c(F)cccc3F)c2cc1C(C)C Fc1cccc(F)c1[*:1] Cc1cc2occ(CC(=O)N[*:1])c2cc1C(C)C
Cc1cc2occ(CC(=O)Nc3c(F)cccc3F)c2cc1C(C)C CC(C)[*:1] Cc1cc2occ(CC(=O)Nc3c(F)cccc3F)c2cc1[*:1]
CCN(CC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 C1CC1C[*:1] CCN(Cn1ncc2cc(ccc21)[N+](=O)[O-])[*:1]
CCN(CC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CCN(CC1CC1)Cn1ncc2cc(ccc21)[*:1]
CCN(CC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 C1CC1[*:1] CCN(Cn1ncc2cc(ccc21)[N+](=O)[O-])C[*:1]
Cc1ccc2cc(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc2cc(CCNS(=O)(=O)[*:1])c(=O)[nH]c2c1
Cc1ccc2cc(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1 O=[N+]([O-])[*:1] Cc1ccc2cc(CCNS(=O)(=O)c3ccc(cc3)[*:1])c(=O)[nH]c2c1
C[NH+](Cc1c(Cl)nc2sccn12)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] C[NH+](Cc1c(Cl)nc2sccn12)C1CCN(CC1)[*:1]
Cc1cc(CN(C)C(=O)c2cn(C)nc2C(C)(C)C)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)c1cn(C)nc1C(C)(C)C
Cc1cc(CN(C)C(=O)c2cn(C)nc2C(C)(C)C)no1 CC(C)(C)[*:1] Cc1cc(CN(C)C(=O)c2cn(C)nc2[*:1])no1
Cc1cc(CN(C)C(=O)c2cn(C)nc2C(C)(C)C)no1 Cc1cc(C[*:1])no1 CN(C(=O)c1cn(C)nc1C(C)(C)C)[*:1]
C[C@H]1c2ccc(F)cc2CCN1C(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] C[C@H]1c2ccc(F)cc2CCN1C(=O)[C@@H](C)S[*:1]
C[C@H]1c2ccc(F)cc2CCN1C(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)S[*:1] C[C@H]1c2ccc(F)cc2CCN1C(=O)[C@@H](C)[*:1]
O=C(Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)NCc1ccccc1Cl Brc1ccc(cc1)[*:1] O=C(Cn1ncn2nc(cc2c1=O)[*:1])NCc1ccccc1Cl
O=C(Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(Cn1ncn2nc(cc2c1=O)-c1ccc(Br)cc1)N[*:1]
O=C(Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cn1ncn2nc(cc2c1=O)-c1ccc(Br)cc1)NC[*:1]
CC(C)N(C[C@@H]1C[C@H]1C)C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CC(C)N(C[C@@H]1C[C@H]1C)C(=O)c1cnc(cn1)O[*:1]
CC(C)N(C[C@@H]1C[C@H]1C)C(=O)c1cnc(Oc2ccccc2)cn1 CC(C)[*:1] C[C@@H]1C[C@H]1CN(C(=O)c1cnc(cn1)Oc1ccccc1)[*:1]
CC(C)N(C[C@@H]1C[C@H]1C)C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] CC(C)N(C[C@@H]1C[C@H]1C)C(=O)c1cnc(cn1)[*:1]
Cc1ccc2c(COC(=O)c3ccc(-n4cnnn4)cc3)cc(=O)oc2c1 c1nnnn1[*:1] Cc1ccc2c(cc(=O)oc2c1)COC(=O)c1ccc(cc1)[*:1]
CNc1nc([C@@H]2CCCCN2C(C)=O)[nH+]c2c1CN(C(=O)CCOC)CC2 COC[*:1] CNc1nc([nH+]c2CCN(Cc12)C(=O)C[*:1])[C@@H]1CCCCN1C(C)=O
CNc1nc([C@@H]2CCCCN2C(C)=O)[nH+]c2c1CN(C(=O)CCOC)CC2 CC(=O)N1CCCC[C@H]1[*:1] CNc1nc([nH+]c2CCN(Cc12)C(=O)CCOC)[*:1]
CNc1nc([C@@H]2CCCCN2C(C)=O)[nH+]c2c1CN(C(=O)CCOC)CC2 COCC[*:1] CNc1nc([nH+]c2CCN(Cc12)C(=O)[*:1])[C@@H]1CCCCN1C(C)=O
Cc1ncc(-c2ccccn2)c(CCNC(=O)[C@@H]2C[C@H]2C)n1 c1ccc(nc1)[*:1] Cc1ncc(c(CCNC(=O)[C@@H]2C[C@H]2C)n1)[*:1]
CC(C)c1ccccc1NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 CC(C)[*:1] C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1[*:1]
CC(=O)[C@H](C)n1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21 CC(=O)[*:1] C[C@H](n1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21)[*:1]
CC(=O)[C@H](C)n1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CC(=O)[C@H](C)n1c(CNC(=O)C=C[*:1])nc2ccccc21
CC(=O)[C@H](C)n1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21 C(=C[*:1])c1ccccc1 CC(=O)[C@H](C)n1c(CNC(=O)[*:1])nc2ccccc21
Cc1ccn(S(=O)(=O)c2ccc(C)c(N3CCCC3=O)c2C)n1 O=C1CCCN1[*:1] Cc1ccn(n1)S(=O)(=O)c1ccc(C)c(c1C)[*:1]
C[C@H](NC(=O)Cn1c(=O)oc2ccccc21)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@H](NC(=O)Cn1c(=O)oc2ccccc21)c1cccc(c1)[*:1]
CC[C@@H](NC(=O)Cn1nnc(-c2ccccc2Cl)n1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@@H](NC(=O)Cn1nnc(n1)-c1ccccc1Cl)[*:1]
CC[C@@H](NC(=O)Cn1nnc(-c2ccccc2Cl)n1)c1ccc(Br)cc1 Clc1ccccc1[*:1] CC[C@@H](NC(=O)Cn1nnc(n1)[*:1])c1ccc(Br)cc1
C[C@H](CCc1ccccc1)NC(=O)c1ccccc1N(C)C(=O)C1CC1 CN(C(=O)C1CC1)[*:1] C[C@H](CCc1ccccc1)NC(=O)c1ccccc1[*:1]
C[C@H](CCc1ccccc1)NC(=O)c1ccccc1N(C)C(=O)C1CC1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)c1ccccc1N(C)C(=O)C1CC1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)c1ccccc1N(C)C(=O)C1CC1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)c1ccccc1N(C)C(=O)C1CC1
C[C@H](CCc1ccccc1)NC(=O)c1ccccc1N(C)C(=O)C1CC1 C1CC1[*:1] C[C@H](CCc1ccccc1)NC(=O)c1ccccc1N(C)C(=O)[*:1]
C[C@H](CCc1ccccc1)NC(=O)c1ccccc1N(C)C(=O)C1CC1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)c1ccccc1N(C)C(=O)C1CC1
CCc1nc(C2(NC(=O)c3ccnc(OC4CCC4)c3)CCCC2)no1 CCc1nc(no1)[*:1] O=C(NC1(CCCC1)[*:1])c1ccnc(c1)OC1CCC1
CCc1nc(C2(NC(=O)c3ccnc(OC4CCC4)c3)CCCC2)no1 C1CC(C1)[*:1] CCc1nc(no1)C1(CCCC1)NC(=O)c1ccnc(c1)O[*:1]
CCc1nc(C2(NC(=O)c3ccnc(OC4CCC4)c3)CCCC2)no1 C1CC(C1)O[*:1] CCc1nc(no1)C1(CCCC1)NC(=O)c1ccnc(c1)[*:1]
Cc1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1)[*:1]
Cc1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1
CCn1cc(C(=O)N2CCC(Oc3ccccc3)CC2)cn1 c1ccc(cc1)O[*:1] CCn1cc(cn1)C(=O)N1CCC(CC1)[*:1]
CCn1cc(C(=O)N2CCC(Oc3ccccc3)CC2)cn1 CCn1cc(cn1)[*:1] O=C(N1CCC(CC1)Oc1ccccc1)[*:1]
CCn1cc(C(=O)N2CCC(Oc3ccccc3)CC2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)C(=O)N1CCC(CC1)O[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1F Cc1ccc(cc1F)[*:1] O=C(N1CCC[C@H](C1)c1nc2ccccc2[nH]1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCC2(C)C)C1 CC(C)(C)[*:1] CC1(C)CCC[C@H]1[NH2+][C@H]1CCCN(C1)C(=O)O[*:1]
C[C@H](CNC(=O)c1ncccc1C(F)(F)F)[S@](C)=O FC(F)(F)[*:1] C[C@H](CNC(=O)c1ncccc1[*:1])[S@](C)=O
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc2OCCCOc2c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 c1cc2OCCCOc2cc1[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H](C)NS(=O)(=O)[*:1]
CNC(=O)NC(=O)C[NH+](Cc1ccc(OC)cc1OC)C1CC1 CNC(=O)NC(=O)[*:1] COc1ccc(C[NH+](C[*:1])C2CC2)c(c1)OC
CNC(=O)NC(=O)C[NH+](Cc1ccc(OC)cc1OC)C1CC1 C1CC1[*:1] CNC(=O)NC(=O)C[NH+](Cc1ccc(cc1OC)OC)[*:1]
COC[C@H](C)CC(=O)N(C)Cc1ccc(C#CCO)cc1 COC[C@H](C)C[*:1] CN(Cc1ccc(C#CCO)cc1)C(=O)[*:1]
COC[C@H](C)CC(=O)N(C)Cc1ccc(C#CCO)cc1 OCC#C[*:1] COC[C@H](C)CC(=O)N(C)Cc1ccc(cc1)[*:1]
COC[C@H](C)CC(=O)N(C)Cc1ccc(C#CCO)cc1 COC[C@H](C)[*:1] CN(Cc1ccc(C#CCO)cc1)C(=O)C[*:1]
COC[C@H](C)CC(=O)N(C)Cc1ccc(C#CCO)cc1 COC[*:1] C[C@H](CC(=O)N(C)Cc1ccc(C#CCO)cc1)[*:1]
COc1cc2c(cc1OC)[C@H]1CN(S(=O)(=O)c3c(F)cc(F)cc3F)CC(=O)N1CC2 Fc1cc(F)c(c(F)c1)[*:1] COc1cc2CCN3C(=O)CN(C[C@@H]3c2cc1OC)S(=O)(=O)[*:1]
Clc1ccc([C@@H]2c3[nH+]c[nH]c3CCN2Cc2cccnc2)s1 c1cncc(c1)[*:1] Clc1ccc(s1)[C@@H]1c2[nH+]c[nH]c2CCN1C[*:1]
Clc1ccc([C@@H]2c3[nH+]c[nH]c3CCN2Cc2cccnc2)s1 c1cncc(c1)C[*:1] Clc1ccc(s1)[C@@H]1c2[nH+]c[nH]c2CCN1[*:1]
Clc1ccc([C@@H]2c3[nH+]c[nH]c3CCN2Cc2cccnc2)s1 Clc1ccc(s1)[*:1] c1cncc(c1)CN1CCc2[nH]c[nH+]c2[C@H]1[*:1]
C=CCN(C/C=C/c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 C=CC[*:1] COc1ccccc1/C=C/CN([C@@H]1CCS(=O)(=O)C1)[*:1]
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccccc1Cl COC[*:1] C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1Cl)[*:1]
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccccc1Cl COC[C@@H](C)[*:1] N#C/C(=C\c1ccccc1Cl)C(=O)O[*:1]
CC1(C)C[C@@H](NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)CCO1 ClC1(Cl)C[C@@H]1[*:1] CC1(C)C[C@H](CCO1)NC(=O)C(C)(C)Oc1ccc(cc1)[*:1]
CC1(C)C[C@@H](NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)CCO1 CC1(C)C[C@@H](CCO1)[*:1] CC(C)(Oc1ccc(cc1)[C@H]1CC1(Cl)Cl)C(=O)N[*:1]
CNc1cc(C)c(S(=O)(=O)NCCSC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1cc(C)c(cc1[*:1])S(=O)(=O)NCCSC
CNc1cc(C)c(S(=O)(=O)NCCSC)cc1[N+](=O)[O-] CSCC[*:1] CNc1cc(C)c(cc1[N+](=O)[O-])S(=O)(=O)N[*:1]
CNc1cc(C)c(S(=O)(=O)NCCSC)cc1[N+](=O)[O-] CSC[*:1] CNc1cc(C)c(cc1[N+](=O)[O-])S(=O)(=O)NC[*:1]
C[C@@H]([NH2+]Cc1csc(C2CC2)n1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H]([NH2+]Cc1csc(n1)C1CC1)[*:1]
C[C@@H]([NH2+]Cc1csc(C2CC2)n1)c1ccc(Cl)s1 C1CC1[*:1] C[C@@H]([NH2+]Cc1csc(n1)[*:1])c1ccc(Cl)s1
C=CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)cc1 C=CCO[*:1] CN1C(=O)c2ccccc2N[C@H]1c1ccc(cc1)[*:1]
C=CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)cc1 C=CC[*:1] CN1C(=O)c2ccccc2N[C@H]1c1ccc(cc1)O[*:1]
CC(C)[C@H](C)C(=O)N1CCc2c(sc(N)c2C#N)C1 CC(C)[C@H](C)[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)[*:1]
CC(C)[C@H](C)C(=O)N1CCc2c(sc(N)c2C#N)C1 CC(C)[*:1] C[C@H](C(=O)N1CCc2c(C1)sc(N)c2C#N)[*:1]
CC(C)[C@@H](CO)C[C@@H]1CSc2ccccc21 CC(C)[*:1] OC[C@@H](C[C@@H]1CSc2ccccc21)[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](C)O[C@H](C)C1 C#CCO[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)C(=O)Nc1ccc(F)cc1[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](C)O[C@H](C)C1 C#CC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)C(=O)Nc1ccc(F)cc1O[*:1]
CCN1CC(=O)Nc2cc(C(=O)NC[C@@](C)(O)c3ccccc3)ccc21 c1ccc(cc1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)NC[C@@](C)(O)[*:1]
N[C@@H](C[NH+]1CCCCC1)C(=O)[O-] O=C([O-])[*:1] N[C@@H](C[NH+]1CCCCC1)[*:1]
O=[N+]([O-])c1cccc(/C=N/[C@H]2N=NC=[NH+]2)c1[O-] O=[N+]([O-])[*:1] [O-]c1c(/C=N/[C@H]2N=NC=[NH+]2)cccc1[*:1]
CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1Br CCOc1ccccc1[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1ccccc1Br
CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1Br CCO[*:1] CC1NC(=S)N[C@H](C=1C(=O)Nc1ccccc1[*:1])c1ccccc1Br
CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1Br Brc1ccccc1[*:1] CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1[*:1]
CCCCN(CCCC)c1nc(Cl)ncc1F CCC[*:1] CCCCN(C[*:1])c1nc(Cl)ncc1F
CCCCN(CCCC)c1nc(Cl)ncc1F CCCC[*:1] CCCCN(c1nc(Cl)ncc1F)[*:1]
C[C@@]1(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)CC1(Cl)Cl c1cncc(c1)[*:1] C[C@]1(CC1(Cl)Cl)C(=O)N1CCC(CC1)NC(=O)[*:1]
N#Cc1cccc(-c2nc([C@H]3CC(=O)N(Cc4cccs4)C3)no2)c1 c1csc(c1)C[*:1] N#Cc1cccc(c1)-c1nc(no1)[C@H]1CC(=O)N(C1)[*:1]
N#Cc1cccc(-c2nc([C@H]3CC(=O)N(Cc4cccs4)C3)no2)c1 N#Cc1cccc(c1)[*:1] O=C1C[C@@H](CN1Cc1cccs1)c1noc(n1)[*:1]
N#Cc1cccc(-c2nc([C@H]3CC(=O)N(Cc4cccs4)C3)no2)c1 c1csc(c1)[*:1] N#Cc1cccc(c1)-c1nc(no1)[C@H]1CC(=O)N(C1)C[*:1]
CCOC[C@@H](O)C[C@@]1(C(=O)[O-])CC[C@H](C)C1 O=C([O-])[*:1] CCOC[C@@H](O)C[C@]1(CC[C@H](C)C1)[*:1]
CCOC[C@@H](O)C[C@@]1(C(=O)[O-])CC[C@H](C)C1 CCO[*:1] C[C@H]1CC[C@@](C1)(C[C@H](O)C[*:1])C(=O)[O-]
CCOC[C@@H](O)C[C@@]1(C(=O)[O-])CC[C@H](C)C1 CCOC[*:1] C[C@H]1CC[C@@](C1)(C[C@H](O)[*:1])C(=O)[O-]
CCCN1C(=O)CCc2cc(NC(=O)N(C)C3CCC(CO)CC3)ccc21 CCC[*:1] CN(C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1])C1CCC(CO)CC1
CCCN1C(=O)CCc2cc(NC(=O)N(C)C3CCC(CO)CC3)ccc21 OCC1CCC(CC1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N(C)[*:1]
COc1ccccc1NC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 COc1ccccc1[*:1] O=[N+]([O-])c1ccc(nc1)N1CCC(CC1)N[*:1]
COc1ccccc1NC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 O=[N+]([O-])[*:1] COc1ccccc1NC1CCN(CC1)c1ccc(cn1)[*:1]
COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@H]1c1ccccc1F Fc1ccccc1[*:1] COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@@H]1[*:1]
CCCNC(=O)N[C@H](CC)c1cccs1 c1csc(c1)[*:1] CCCNC(=O)N[C@H](CC)[*:1]
CCCNC(=O)N[C@H](CC)c1cccs1 CCC[*:1] CC[C@@H](NC(=O)N[*:1])c1cccs1
CC(=O)NC[C@H]1CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1 CC(=O)NC[*:1] c1ccc(cc1)-c1nc(c2ccccc2n1)N1CCC[C@@H](C1)[*:1]
CC(=O)NC[C@H]1CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1 CC(=O)N[*:1] c1ccc(cc1)-c1nc(c2ccccc2n1)N1CCC[C@@H](C1)C[*:1]
CC(=O)NC[C@H]1CCCN(c2nc(-c3ccccc3)nc3ccccc23)C1 c1ccc(cc1)[*:1] CC(=O)NC[C@H]1CCCN(C1)c1nc(nc2ccccc12)[*:1]
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(C(F)(F)F)n1C FC(F)(F)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(n1C)[*:1]
CC1CCN(C(=S)SCC(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=S)SCC(=O)N[*:1]
Cc1cc(COC(=O)c2ccc(N3CCCCC3=O)cc2)on1 Cc1cc(on1)[*:1] O=C(OC[*:1])c1ccc(cc1)N1CCCCC1=O
Cc1cc(COC(=O)c2ccc(N3CCCCC3=O)cc2)on1 O=C1CCCCN1[*:1] Cc1cc(COC(=O)c2ccc(cc2)[*:1])on1
Cc1cc(COC(=O)c2ccc(N3CCCCC3=O)cc2)on1 Cc1cc(C[*:1])on1 O=C(O[*:1])c1ccc(cc1)N1CCCCC1=O
Cc1cc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)n(C)n1 Cc1nnc(SC[*:1])s1 Cc1cc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CS[C@H]23)[*:1])n(C)n1
Cc1cc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1nnc(SCC2CS[C@@H]3[C@H](NC(=O)[*:1])C(=O)N3C=2C(=O)[O-])s1
Cc1cc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)n(C)n1 Cc1nnc(S[*:1])s1 Cc1cc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CS[C@H]23)C[*:1])n(C)n1
Cc1cc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)n(C)n1 O=C([O-])[*:1] Cc1cc(C(=O)N[C@@H]2C(=O)N3C(=C(CSc4nnc(C)s4)CS[C@H]23)[*:1])n(C)n1
Cc1cc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)n(C)n1 Cc1cc(C(=O)N[*:1])n(C)n1 Cc1nnc(SCC2CS[C@@H]3[C@@H](C(=O)N3C=2C(=O)[O-])[*:1])s1
Cc1cc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)n(C)n1 Cc1nnc(s1)[*:1] Cc1cc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CS[C@H]23)CS[*:1])n(C)n1
CCC[NH2+][C@H](CC(F)(F)F)c1ccc(Cl)cc1F FC(F)(F)[*:1] CCC[NH2+][C@H](C[*:1])c1ccc(Cl)cc1F
CCC[NH2+][C@H](CC(F)(F)F)c1ccc(Cl)cc1F CCC[*:1] Fc1cc(Cl)ccc1[C@@H](CC(F)(F)F)[NH2+][*:1]
CCC[NH2+][C@H](CC(F)(F)F)c1ccc(Cl)cc1F FC(F)(F)C[*:1] CCC[NH2+][C@H](c1ccc(Cl)cc1F)[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC(C)(C)OC1(C)C NC(=O)[*:1] CC(C)[NH2+][C@]1(CC(C)(C)OC1(C)C)[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC(C)(C)OC1(C)C CC(C)[*:1] CC1(C)C[C@@]([NH2+][*:1])(C(N)=O)C(C)(C)O1
[NH3+][C@H]1CCCCC[C@@H]1C(F)(F)F FC(F)(F)[*:1] [NH3+][C@H]1CCCCC[C@H]1[*:1]
Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c1C c1ccc(nc1)[*:1] Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(C2)[*:1])c1C
Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c1C Cc1cccc(c1C)[*:1] C[C@H](CC(=O)N[*:1])[NH2+][C@H]1CCN(C1)c1ccccn1
CCCCN(C(=O)N[C@H]1CCc2c(O)cccc21)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(N[C@H]1CCc2c(O)cccc21)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@H]1CCc2c(O)cccc21)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(N[C@H]1CCc2c(O)cccc21)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)N[C@H]1CCc2c(O)cccc21)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCCN(C(=O)N[C@H]1CCc2c(O)cccc21)[*:1]
O=C(c1cccc(S(=O)(=O)NC2CCCCC2)c1)N1CCCc2ccccc21 C1CCC(CC1)[*:1] O=C(c1cccc(c1)S(=O)(=O)N[*:1])N1CCCc2ccccc21
CCC[C@H]1CN(C(=O)Cn2ccccc2=O)CCO1 CCC[*:1] O=C(Cn1ccccc1=O)N1CCO[C@H](C1)[*:1]
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(cc1)[*:1]
O=C(N[C@@]1(C(=O)[O-])CCCc2ccccc21)C1CCN(C(=O)C2CC2)CC1 O=C([O-])[*:1] O=C(N[C@]1(CCCc2ccccc21)[*:1])C1CCN(CC1)C(=O)C1CC1
O=C(N[C@@]1(C(=O)[O-])CCCc2ccccc21)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(N[C@]1(CCCc2ccccc21)C(=O)[O-])C1CCN(CC1)C(=O)[*:1]
Cc1ccc(C)n1CCN1CCN(C(=O)c2ccc(Cl)cc2)CC1 Cc1ccc(C)n1C[*:1] O=C(c1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
Cc1ccc(C)n1CCN1CCN(C(=O)c2ccc(Cl)cc2)CC1 Cc1ccc(C)n1[*:1] O=C(c1ccc(Cl)cc1)N1CCN(CC1)CC[*:1]
Cc1ccc(C)n1CCN1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1ccc(C)n1CCN1CCN(CC1)C(=O)[*:1]
c1cc(-c2nc3c(c(N4CCCCCC4)n2)CCC3)ccn1 c1cc(ccn1)[*:1] C1CCCN(CC1)c1nc(nc2CCCc21)[*:1]
c1cc(-c2nc3c(c(N4CCCCCC4)n2)CCC3)ccn1 C1CCCN(CC1)[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)[*:1]
O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCC[C@@H]1c1cccs1 c1ccc(cc1)[*:1] O=C(CSc1nn(c(=S)s1)[*:1])N1CCC[C@@H]1c1cccs1
O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCC[C@H]1[*:1]
Cc1c(Cl)cccc1NNC(=O)NCCC(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1c(Cl)cccc1NNC(=O)NCC[*:1]
Cc1c(Cl)cccc1NNC(=O)NCCC(=O)NC(C)C CC(C)NC(=O)C[*:1] Cc1c(Cl)cccc1NNC(=O)NC[*:1]
Cc1c(Cl)cccc1NNC(=O)NCCC(=O)NC(C)C CC(C)[*:1] Cc1c(Cl)cccc1NNC(=O)NCCC(=O)N[*:1]
O=C(C[NH+]1CCC(Cn2cc[nH+]c2)CC1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)Cn1cc[nH+]c1)NC[*:1]
O=C(C[NH+]1CCC(Cn2cc[nH+]c2)CC1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(C[NH+]1CCC(CC1)Cn1cc[nH+]c1)N[*:1]
CCOc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)cc1F O=C1CCCCN1[*:1] CCOc1ccc(cc1F)S(=O)(=O)Nc1cccc(c1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)cc1F CCO[*:1] O=C1CCCCN1c1cccc(c1)NS(=O)(=O)c1ccc(c(F)c1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](Nc2nc3ccccc3nc2N)C1 CC(C)(C)[*:1] Nc1nc2ccccc2nc1N[C@H]1CCN(C1)C(=O)O[*:1]
COC(=O)[C@H](C)NC(=O)N1CCC(O)(c2ccc(C)cn2)CC1 COC(=O)[C@H](C)[*:1] Cc1ccc(nc1)C1(O)CCN(CC1)C(=O)N[*:1]
COC(=O)[C@H](C)NC(=O)N1CCC(O)(c2ccc(C)cn2)CC1 Cc1ccc(nc1)[*:1] COC(=O)[C@H](C)NC(=O)N1CCC(O)(CC1)[*:1]
COC(=O)[C@H](C)NC(=O)N1CCC(O)(c2ccc(C)cn2)CC1 COC(=O)[*:1] Cc1ccc(nc1)C1(O)CCN(CC1)C(=O)N[C@@H](C)[*:1]
O=C(Nc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(cc1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1ccc(C(N)=O)cc1 NC(=O)[*:1] CC[C@@H](CSC)N(C)C(=O)c1ccc(cc1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1ccc(C(N)=O)cc1 CSC[*:1] CC[C@@H](N(C)C(=O)c1ccc(cc1)C(N)=O)[*:1]
CC(C)[C@](O)(C(=O)[O-])[C@@H](C)c1ccc2c(c1)OCCO2 O=C([O-])[*:1] CC(C)[C@](O)([C@@H](C)c1ccc2OCCOc2c1)[*:1]
CC(C)[C@](O)(C(=O)[O-])[C@@H](C)c1ccc2c(c1)OCCO2 CC(C)[*:1] C[C@@H](c1ccc2OCCOc2c1)[C@](O)(C(=O)[O-])[*:1]
C[C@H]1CCCN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)[C@H]1CO FC(F)(F)[*:1] C[C@H]1CCCN(C(=O)Nc2cccn(C[*:1])c2=O)[C@H]1CO
C[C@H]1CCCN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)[C@H]1CO FC(F)(F)C[*:1] C[C@H]1CCCN(C(=O)Nc2cccn(c2=O)[*:1])[C@H]1CO
CCc1cc(N(C)C[C@@H](O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 C1CC1[*:1] CCc1cc(nc(n1)-c1ccc(cc1)[N+](=O)[O-])N(C)C[C@@H](O)[*:1]
CCc1cc(N(C)C[C@@H](O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] CCc1cc(nc(n1)-c1ccc(cc1)[*:1])N(C)C[C@@H](O)C1CC1
O=C(COc1ccc2oc(-c3ccccc3)cc(=O)c2c1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(COc1ccc2oc(cc(=O)c2c1)-c1ccccc1)N[*:1]
O=C(COc1ccc2oc(-c3ccccc3)cc(=O)c2c1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc2oc(cc(=O)c2c1)-c1ccccc1)NC[*:1]
O=C(COc1ccc2oc(-c3ccccc3)cc(=O)c2c1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc2oc(cc(=O)c2c1)[*:1])NCc1ccccc1
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(cc1)C[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cn2cncn2)cc1 Fc1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1ccc(cc1)Cn1cncn1)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cn2cncn2)cc1 Fc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cc1)Cn1cncn1
C[C@H]1CCCCN1C(=O)c1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)N(C)c2ccccc23)cc1 C[C@H]1CCCCN1C(=O)[*:1] CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccc(cc2)[*:1])c2ccccc21
CC(C)Nc1ncccc1C(=O)NCCc1ccccc1[N+](=O)[O-] CC(C)[*:1] O=C(NCCc1ccccc1[N+](=O)[O-])c1cccnc1N[*:1]
CC(C)Nc1ncccc1C(=O)NCCc1ccccc1[N+](=O)[O-] CC(C)N[*:1] O=C(NCCc1ccccc1[N+](=O)[O-])c1cccnc1[*:1]
CC(C)Nc1ncccc1C(=O)NCCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)Nc1ncccc1C(=O)NCCc1ccccc1[*:1]
COc1ccc(C[C@@H](C)CNC(=O)C2(C#N)CCC2)cc1 N#CC1(CCC1)[*:1] COc1ccc(cc1)C[C@@H](C)CNC(=O)[*:1]
c1cncc(-c2n[nH]cc2CN2CCSC3(CCCCC3)C2)c1 c1cncc(c1)[*:1] c1[nH]nc(c1CN1CCSC2(CCCCC2)C1)[*:1]
CCCCCn1c(=O)c2ccccc2n2c(Cn3nnc(-c4ccccc4)n3)nnc12 CCCCC[*:1] O=c1c2ccccc2n2c(Cn3nnc(n3)-c3ccccc3)nnc2n1[*:1]
CCCCCn1c(=O)c2ccccc2n2c(Cn3nnc(-c4ccccc4)n3)nnc12 CCC[*:1] O=c1c2ccccc2n2c(Cn3nnc(n3)-c3ccccc3)nnc2n1CC[*:1]
CCCCCn1c(=O)c2ccccc2n2c(Cn3nnc(-c4ccccc4)n3)nnc12 CCCC[*:1] O=c1c2ccccc2n2c(Cn3nnc(n3)-c3ccccc3)nnc2n1C[*:1]
CCCCCn1c(=O)c2ccccc2n2c(Cn3nnc(-c4ccccc4)n3)nnc12 c1ccc(cc1)[*:1] CCCCCn1c(=O)c2ccccc2n2c(Cn3nnc(n3)[*:1])nnc12
CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1C1CCCCC1 C1CCC(CC1)[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1ccccc1
CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1C1CCCCC1 c1ccc(cc1)[*:1] CCn1c(nnc1C1CCCCC1)S[C@H](C)C(=O)N[*:1]
CN(CCCNC(=O)CN1CC[S@](=O)C(C)(C)C1)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCNC(=O)CN1CC[S@](=O)C(C)(C)C1)[*:1]
CN(CCCNC(=O)CN1CC[S@](=O)C(C)(C)C1)c1ccccc1 CN(c1ccccc1)[*:1] CC1(C)CN(CC[S@@]1=O)CC(=O)NCCC[*:1]
CCC[NH2+][C@@H]1COC[C@H]1c1nc2cccc(C)c2o1 CCC[*:1] Cc1cccc2nc(oc12)[C@@H]1COC[C@H]1[NH2+][*:1]
Nc1ccccc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl Nc1ccccc1[*:1] O=C(COC(=O)[*:1])Nc1cc(ccc1Cl)C(F)(F)F
Nc1ccccc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] Nc1ccccc1C(=O)OCC(=O)Nc1cc(ccc1Cl)[*:1]
C[C@H](CO)[C@H](C)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 C[C@H](CO)[*:1] C[C@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
C[C@H](CO)[C@H](C)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] C[C@H](CO)[C@H](C)NC(=O)N[C@@H](C[*:1])c1ccc(F)cc1
C[C@H](CO)[C@H](C)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CO)[C@H](C)NC(=O)N[C@@H](CC(F)(F)F)[*:1]
C[C@H](CO)[C@H](C)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] C[C@H](CO)[C@H](C)NC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
O=C(CSc1nc(C2CC2)n[nH]1)N1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc(n[nH]1)C1CC1)N1CCN(CC1)C(=O)N[*:1]
O=C(CSc1nc(C2CC2)n[nH]1)N1CCN(C(=O)Nc2ccccc2)CC1 C1CC1[*:1] O=C(CSc1nc(n[nH]1)[*:1])N1CCN(CC1)C(=O)Nc1ccccc1
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(N3CCCC3)c2CO1 c1ccc(cc1)[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)N1CCCC1)OCC(=O)[*:1]
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(N3CCCC3)c2CO1 O=C(C[*:1])c1ccccc1 CC1(C)Cc2c(C#N)c(nc(c2CO1)N1CCCC1)O[*:1]
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(N3CCCC3)c2CO1 C1CCN(C1)[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)[*:1])OCC(=O)c1ccccc1
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(N3CCCC3)c2CO1 O=C(c1ccccc1)[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)N1CCCC1)OC[*:1]
CCCn1cc(CC)cc1C#N CCC[*:1] CCc1cc(C#N)n(c1)[*:1]
Cc1ccc(OCCCC(=O)N(C)CC(C)(C)O)cc1 CC(C)(O)[*:1] Cc1ccc(cc1)OCCCC(=O)N(C)C[*:1]
Cc1ccc(OCCCC(=O)N(C)CC(C)(C)O)cc1 CC(C)(O)C[*:1] Cc1ccc(cc1)OCCCC(=O)N(C)[*:1]
COc1ccc(-c2nnc3sc(NC(=O)c4cccc(C)c4)nn23)cc1OC Cc1cccc(c1)[*:1] COc1ccc(cc1OC)-c1nnc2sc(nn12)NC(=O)[*:1]
Cc1cc(N2C[C@H](C)C[C@@H](C)C2)n2nc(C)c(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1cc(N2C[C@H](C)C[C@@H](C)C2)n2nc(C)c(c2n1)[*:1]
CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 c1ccc(cc1)C[*:1] CC[C@@H](NS(=O)(=O)c1ccc2S[C@@H](C)C(=O)Nc2c1)[*:1]
CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NS(=O)(=O)c1ccc2S[C@@H](C)C(=O)Nc2c1
Cc1ccccc1[C@@H]1C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 Cc1ccccc1[*:1] N#CC1=C(N)N2C(Nc3ccccc32)=C(C#N)[C@@H]1[*:1]
C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)NC[*:1]
C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)[C@@H](C)NC(=O)[*:1])C(=O)NCc1ccco1
C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)N[*:1]
C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)NCc1ccco1 O=C(N[*:1])c1ccco1 C[C@H](NC(=O)[C@@H](C)[*:1])C(=O)NCc1ccco1
CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])CC(F)(F)C1 CC(C)(C)[*:1] [NH3+]C[C@@H]1CN(CC(F)(F)C1)C(=O)O[*:1]
CCOc1cc(Br)c(CC(=O)Nc2c(F)cccc2F)cc1OCC Fc1cccc(F)c1[*:1] CCOc1cc(Br)c(cc1OCC)CC(=O)N[*:1]
CCOc1cc(Br)c(CC(=O)Nc2c(F)cccc2F)cc1OCC CCO[*:1] CCOc1cc(CC(=O)Nc2c(F)cccc2F)c(Br)cc1[*:1]
CCOc1cc(Br)c(CC(=O)Nc2c(F)cccc2F)cc1OCC CCO[*:1] CCOc1cc(Br)c(cc1[*:1])CC(=O)Nc1c(F)cccc1F
OCc1ccc(OC/C=C/c2ccccc2)cn1 c1ccc(cc1)[*:1] OCc1ccc(cn1)OCC=C[*:1]
C[C@H](O)[C@@H](C)S(=O)(=O)CC(=O)Nc1cccc(Cl)c1Cl C[C@H](O)[*:1] C[C@@H](S(=O)(=O)CC(=O)Nc1cccc(Cl)c1Cl)[*:1]
Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)c2n1 c1cc2OCOc2cc1[*:1] Cc1ccc2cccc(N/C=C(\C#N)c3nc(cs3)[*:1])c2n1
c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)C[C@@H]1CCCC[C@H]1[NH2+]C[*:1]
c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)C[NH2+][C@@H]1CCCC[C@H]1C[*:1]
c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2)cc1 c1cncc(c1)C[*:1] c1ccc(cc1)C[C@@H]1CCCC[C@H]1[NH2+][*:1]
c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]Cc2cccnc2)cc1 c1ccc(cc1)C[*:1] c1cncc(c1)C[NH2+][C@@H]1CCCC[C@H]1[*:1]
CN(C)c1c(Cl)cccc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C)c1c(Cl)cccc1NC(=O)c1cc(F)c(F)cc1[*:1]
CN(C)c1c(Cl)cccc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] CN(C)[*:1] O=C(Nc1cccc(Cl)c1[*:1])c1cc(F)c(F)cc1[N+](=O)[O-]
Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H]1[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H]1C(=O)[O-] c1ccc(cc1)[*:1] Cc1onc(c1C(=O)N1CCC[C@@H]1C(=O)[O-])[*:1]
O=C(CCOc1ccccc1)Nc1nc2c(F)cc(F)cc2s1 c1ccc(cc1)O[*:1] O=C(CC[*:1])Nc1nc2c(F)cc(F)cc2s1
O=C(CCOc1ccccc1)Nc1nc2c(F)cc(F)cc2s1 c1ccc(cc1)[*:1] O=C(CCO[*:1])Nc1nc2c(F)cc(F)cc2s1
COc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1OCC(N)=O NC(=O)[*:1] COc1ccc(cc1OC[*:1])[C@@H]1CC(=O)Nc2c1cnn2C1CCCC1
COc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1OCC(N)=O C1CCC(C1)[*:1] COc1ccc(cc1OCC(N)=O)[C@@H]1CC(=O)Nc2c1cnn2[*:1]
COc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1OCC(N)=O NC(=O)CO[*:1] COc1ccc(cc1[*:1])[C@@H]1CC(=O)Nc2c1cnn2C1CCCC1
COc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1OCC(N)=O NC(=O)C[*:1] COc1ccc(cc1O[*:1])[C@@H]1CC(=O)Nc2c1cnn2C1CCCC1
O=C(NCc1ccc2c(c1)OCO2)c1c[nH]cc1-c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(NCc1ccc2OCOc2c1)c1c[nH]cc1[*:1]
CC[C@@H](C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 CC[C@@H](C)[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCOC2(CCOCC2)C1
CC[C@@H](C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 CC[C@@H](C)C[*:1] C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)[*:1]
c1csc([C@H]([NH2+]C2CC2)C2CC2)n1 C1CC1[*:1] c1csc(n1)[C@H]([NH2+]C1CC1)[*:1]
c1csc([C@H]([NH2+]C2CC2)C2CC2)n1 C1CC1[*:1] c1csc(n1)[C@H]([NH2+][*:1])C1CC1
COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)[*:1]
COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2ccc(F)cc2)cc1OC COc1ccc(cc1OC)[*:1] O=C(CN(c1ccc(F)cc1)S(=O)(=O)[*:1])N1CCc2ccccc2C1
O=C(c1ccnn1C1CCCC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(c1ccnn1C1CCCC1)N(C1CC1)[*:1]
O=C(c1ccnn1C1CCCC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] O=C(c1ccnn1[*:1])N(C1CC1)[C@@H]1CCS(=O)(=O)C1
O=C(c1ccnn1C1CCCC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C(c1ccnn1C1CCCC1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Nc1cc(F)c([C@H]([NH3+])C(=O)[O-])cc1F O=C([O-])[*:1] Nc1cc(F)c(cc1F)[C@H]([NH3+])[*:1]
O=C(COc1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] O=C(COc1ccc(Cl)c(Cl)c1)Nc1cc(ccc1F)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Cn2cnc3cc(F)ccc3c2=O)cc1 CC(C)C(=O)N[*:1] O=C(Cn1cnc2cc(F)ccc2c1=O)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Cn2cnc3cc(F)ccc3c2=O)cc1 CC(C)[*:1] O=C(Cn1cnc2cc(F)ccc2c1=O)c1ccc(cc1)NC(=O)[*:1]
CCOCCC[C@]1(O)C[C@@H]1C CCO[*:1] C[C@H]1C[C@@]1(O)CCC[*:1]
CCN[C@H]1[C@@H]([NH+]2Cc3ccccc3C2)CCCC1(C)C CCN[*:1] CC1(C)CCC[C@@H]([C@@H]1[*:1])[NH+]1Cc2ccccc2C1
CC(=O)N1CC[C@@H](C(=O)N2CCOC[C@H]2C2CC2)C1 C1CC1[*:1] CC(=O)N1CC[C@H](C1)C(=O)N1CCOC[C@@H]1[*:1]
Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)sc1C O=C([O-])[*:1] Cc1cc(sc1C)C(=O)N1C[C@@H](C2CC2)[C@H](C1)[*:1]
Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)sc1C C1CC1[*:1] Cc1cc(sc1C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C1)[*:1]
N#Cc1ccc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 O=[N+]([O-])[*:1] N#Cc1ccc(cc1)CNc1ccc(cc1C(F)(F)F)[*:1]
N#Cc1ccc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)CNc1ccc(cc1[*:1])[N+](=O)[O-]
Cc1ccc(OC(=O)CCC(=O)Nc2ccc(C#N)cc2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)CCC(=O)O[*:1]
Cc1noc([C@@H](C)NC(=O)Nc2ccc3c4c(cccc24)CC3)n1 Cc1noc(n1)[*:1] C[C@@H](NC(=O)Nc1ccc2CCc3cccc1c32)[*:1]
O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(Nc1nnc(o1)-c1ccc(Cl)cc1)c1ccc(s1)[*:1]
O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])s1 Clc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(s1)[N+](=O)[O-]
COc1ccccc1COC1CCN(C(=O)N[C@@H]2CC[C@H](SC)C2)CC1 COc1ccccc1[*:1] CS[C@H]1CC[C@H](C1)NC(=O)N1CCC(CC1)OC[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(C)Cc2ccccc2Cl)C1 Clc1ccccc1[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(C)C[*:1])C1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(C)Cc2ccccc2Cl)C1 CC(C)[*:1] CN(Cc1ccccc1Cl)C(=O)C[C@@H]1CCCN(C1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(C)Cc2ccccc2Cl)C1 Clc1ccccc1C[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(C)[*:1])C1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(C)Cc2ccccc2Cl)C1 CC(C)C[*:1] CN(Cc1ccccc1Cl)C(=O)C[C@@H]1CCCN(C1)C(=O)N[*:1]
CCOc1cc(C)ccc1NC(=O)CS(=O)(=O)C1CCCC1 C1CCC(C1)[*:1] CCOc1cc(C)ccc1NC(=O)CS(=O)(=O)[*:1]
CCOc1cc(C)ccc1NC(=O)CS(=O)(=O)C1CCCC1 CCO[*:1] Cc1ccc(NC(=O)CS(=O)(=O)C2CCCC2)c(c1)[*:1]
COC(=O)c1ccsc1N1CC[C@H](Nc2ccc(F)c(F)c2)C1=O Fc1ccc(cc1F)[*:1] COC(=O)c1ccsc1N1CC[C@H](N[*:1])C1=O
COC(=O)c1ccsc1N1CC[C@H](Nc2ccc(F)c(F)c2)C1=O COC(=O)[*:1] O=C1[C@H](CCN1c1sccc1[*:1])Nc1ccc(F)c(F)c1
O=C(c1cnccn1)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 FC(F)(F)[*:1] O=C(c1cnccn1)N1CCc2[nH]nc(-c3ccc(cc3)[*:1])c2C1
O=C(c1cnccn1)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 c1cnc(cn1)[*:1] O=C(N1CCc2[nH]nc(-c3ccc(cc3)C(F)(F)F)c2C1)[*:1]
CCc1cccc(C(=O)NCc2csc(N(C)C)n2)c1O CN(C)[*:1] CCc1cccc(C(=O)NCc2csc(n2)[*:1])c1O
COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](c2cnn(C)c2C)NS(=O)(=O)N1C COc1ccc(Cl)cc1[*:1] Cc1c(cnn1C)[C@@H]1C[C@@H](C(=O)N[*:1])N(C)S(=O)(=O)N1
COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](c2cnn(C)c2C)NS(=O)(=O)N1C Cc1c(cnn1C)[*:1] COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](NS(=O)(=O)N1C)[*:1]
CCOC(=O)[C@]1(C)NN=C(c2ccccc2)S1 CCOC(=O)[*:1] C[C@@]1(NN=C(S1)c1ccccc1)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)NCc1nc2ccccc2[nH]1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)NCc1nc2ccccc2[nH]1)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)NCc1nc2ccccc2[nH]1)C(C)C c1ccc2[nH]c(nc2c1)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)NC[*:1])C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)NCc1nc2ccccc2[nH]1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NCc1nc2ccccc2[nH]1
O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/C=C\c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/C=C[*:1]
CCNC(=S)Nc1ccc(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCNC(=S)Nc1ccc(N)c(c1)[*:1]
COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1F Fc1ccc(cc1)[*:1] COc1ccc(cc1F)C(=O)N1CCN(CC1)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 CCCNC(=O)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 CC(C)(C)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccnn1[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 CCC[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
C[C@H](CC1CCCC1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 C1CCC(C1)C[*:1] C[C@H](C(=O)N[C@]1(C)CCS(=O)(=O)C1)[*:1]
C[C@H](CC1CCCC1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 C1CCC(C1)[*:1] C[C@H](C[*:1])C(=O)N[C@]1(C)CCS(=O)(=O)C1
Cc1cc(Br)cc(C)c1N(C)C CN(C)[*:1] Cc1cc(Br)cc(C)c1[*:1]
Cn1cc(C[C@@H]2CCN(c3cc[nH+]c4ccc(Cl)cc34)C2)cn1 Cn1cc(cn1)[*:1] Clc1ccc2[nH+]ccc(c2c1)N1CC[C@H](C1)C[*:1]
Cn1cc(C[C@@H]2CCN(c3cc[nH+]c4ccc(Cl)cc34)C2)cn1 Cn1cc(cn1)C[*:1] Clc1ccc2[nH+]ccc(c2c1)N1CC[C@H](C1)[*:1]
CC(C)(C)C(=O)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccc(C(C)(C)C)cc4)c3[nH]2)C1 CC(C)(C)[*:1] CC(C)(C)C(=O)N1CCC[C@H](C1)c1nc(=O)c2nnn(Cc3ccc(cc3)[*:1])c2[nH]1
CC(C)(C)C(=O)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccc(C(C)(C)C)cc4)c3[nH]2)C1 CC(C)(C)[*:1] CC(C)(C)c1ccc(cc1)Cn1nnc2c(=O)nc([nH]c21)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)(C)C(=O)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccc(C(C)(C)C)cc4)c3[nH]2)C1 CC(C)(C)c1ccc(cc1)C[*:1] CC(C)(C)C(=O)N1CCC[C@H](C1)c1nc(=O)c2nnn(c2[nH]1)[*:1]
CC(C)(C)C(=O)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccc(C(C)(C)C)cc4)c3[nH]2)C1 CC(C)(C)c1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCC[C@H](C1)c1nc(=O)c2nnn(C[*:1])c2[nH]1
[NH3+][C@@H](CC(=O)[O-])N1CCOCC1 O=C([O-])C[*:1] [NH3+][C@@H](N1CCOCC1)[*:1]
[NH3+][C@@H](CC(=O)[O-])N1CCOCC1 O=C([O-])[*:1] [NH3+][C@@H](C[*:1])N1CCOCC1
Cc1ccc(CN2CC[NH+](Cc3c(C)nn(C)c3Cl)CCC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)c(Cl)c1C[NH+]1CCC(=O)N(CC1)C[*:1]
Cc1ccc(CN2CC[NH+](Cc3c(C)nn(C)c3Cl)CCC2=O)cc1 Cc1nn(C)c(Cl)c1[*:1] Cc1ccc(cc1)CN1CC[NH+](CCC1=O)C[*:1]
Cc1ccc(CN2CC[NH+](Cc3c(C)nn(C)c3Cl)CCC2=O)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(C)c(Cl)c1C[NH+]1CCC(=O)N(CC1)[*:1]
CCC[NH2+][C@H]1CCCc2nc(-c3cscc3C)ncc21 CCC[*:1] Cc1cscc1-c1ncc2c(CCC[C@@H]2[NH2+][*:1])n1
CCC[NH2+][C@H]1CCCc2nc(-c3cscc3C)ncc21 Cc1cscc1[*:1] CCC[NH2+][C@H]1CCCc2nc(ncc21)[*:1]
CNC(=O)CC1CCN(C(=O)[C@H](C)OCC(F)(F)F)CC1 CNC(=O)C[*:1] C[C@H](OCC(F)(F)F)C(=O)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)[C@H](C)OCC(F)(F)F)CC1 FC(F)(F)C[*:1] CNC(=O)CC1CCN(CC1)C(=O)[C@H](C)O[*:1]
CNC(=O)CC1CCN(C(=O)[C@H](C)OCC(F)(F)F)CC1 FC(F)(F)CO[*:1] CNC(=O)CC1CCN(CC1)C(=O)[C@H](C)[*:1]
CNC(=O)CC1CCN(C(=O)[C@H](C)OCC(F)(F)F)CC1 FC(F)(F)[*:1] CNC(=O)CC1CCN(CC1)C(=O)[C@H](C)OC[*:1]
CNC(=O)CC1CCN(C(=O)[C@H](C)OCC(F)(F)F)CC1 CNC(=O)[*:1] C[C@H](OCC(F)(F)F)C(=O)N1CCC(CC1)C[*:1]
C[NH2+][C@H](Cc1cccs1)[C@]1(C)CCCO1 c1csc(c1)[*:1] C[NH2+][C@H](C[*:1])[C@]1(C)CCCO1
CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1ccccc1C)S2 Cc1ccccc1NC(=O)[*:1] CCc1nnc2S[C@H]([C@@H](Nn12)c1ccc(OC)c(Cl)c1)[*:1]
CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1ccccc1C)S2 Cc1ccccc1[*:1] CCc1nnc2S[C@H](C(=O)N[*:1])[C@@H](Nn12)c1ccc(OC)c(Cl)c1
CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1ccccc1C)S2 COc1ccc(cc1Cl)[*:1] CCc1nnc2S[C@H](C(=O)Nc3ccccc3C)[C@H](Nn12)[*:1]
Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4ccc(F)cc4)cnc32)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1ncc2c(=O)n(cnc21)NC(=O)C[*:1]
Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4ccc(F)cc4)cnc32)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)Nn1cnc2c(cnn2[*:1])c1=O
Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4ccc(F)cc4)cnc32)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1ncc2c(=O)n(cnc21)NC(=O)[*:1]
Cc1cc([C@@H]([NH3+])CC2(CC(N)=O)CCCCC2)ccc1F NC(=O)C[*:1] Cc1cc(ccc1F)[C@@H]([NH3+])CC1(CCCCC1)[*:1]
Cc1cc([C@@H]([NH3+])CC2(CC(N)=O)CCCCC2)ccc1F NC(=O)[*:1] Cc1cc(ccc1F)[C@@H]([NH3+])CC1(CCCCC1)C[*:1]
Cc1ccc(/N=C2/S[C@@H](C(=O)Nc3ccccc3Cl)CC(=O)N2C)cc1C Cc1ccc(cc1C)[*:1] CN1C(=O)C[C@@H](SC1=N[*:1])C(=O)Nc1ccccc1Cl
Cc1ccc(/N=C2/S[C@@H](C(=O)Nc3ccccc3Cl)CC(=O)N2C)cc1C Clc1ccccc1[*:1] Cc1ccc(cc1C)/N=C1/S[C@H](CC(=O)N1C)C(=O)N[*:1]
CCOCC(=O)N1CCN(Cc2sccc2Br)CC1 Brc1ccsc1[*:1] CCOCC(=O)N1CCN(CC1)C[*:1]
CCOCC(=O)N1CCN(Cc2sccc2Br)CC1 CCO[*:1] O=C(C[*:1])N1CCN(CC1)Cc1sccc1Br
CCOCC(=O)N1CCN(Cc2sccc2Br)CC1 CCOC[*:1] O=C(N1CCN(CC1)Cc1sccc1Br)[*:1]
CC[C@@H]([NH2+][C@@H](C)[C@@H](C)O)C1CCCCC1 C[C@@H](O)[*:1] CC[C@@H]([NH2+][C@@H](C)[*:1])C1CCCCC1
C[C@H]1CCCCN1C(=O)CSc1nncn1-c1ccccc1F Fc1ccccc1[*:1] C[C@H]1CCCCN1C(=O)CSc1nncn1[*:1]
O=[N+]([O-])c1cccc(F)c1CSc1ncc[nH]1 O=[N+]([O-])[*:1] Fc1cccc(c1CSc1ncc[nH]1)[*:1]
O=[N+]([O-])c1cccc(F)c1CSc1ncc[nH]1 c1c[nH]c(n1)[*:1] O=[N+]([O-])c1cccc(F)c1CS[*:1]
O=C1C[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 Brc1ccc(cc1)[*:1] O=C1C[C@@H](C[*:1])C(=O)N1c1ccc(cc1)[N+](=O)[O-]
O=C1C[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C1C[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(cc1)[*:1]
O=C1C[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 Brc1ccc(cc1)C[*:1] O=C1C[C@@H](C(=O)N1c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)o1 Cc1ccccc1[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)Nc1ccc(cc1)C(N)=O
Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)o1 NC(=O)c1ccc(cc1)[*:1] Cc1ccccc1-c1nnc(o1)S[C@@H](C)C(=O)N[*:1]
Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)o1 NC(=O)[*:1] Cc1ccccc1-c1nnc(o1)S[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCN(CC)/C(N)=[NH+]/Cc1ccc(F)cc1CSC CSC[*:1] CCN(CC)/C(N)=[NH+]/Cc1ccc(F)cc1[*:1]
O=C(Cc1cccc(F)c1F)N(Cc1ccccc1)C[C@@H]1CCCO1 c1ccc(cc1)C[*:1] O=C(Cc1cccc(F)c1F)N(C[C@@H]1CCCO1)[*:1]
O=C(Cc1cccc(F)c1F)N(Cc1ccccc1)C[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(Cc1cccc(F)c1F)N(C[C@@H]1CCCO1)C[*:1]
O=C(Cc1cccc(F)c1F)N(Cc1ccccc1)C[C@@H]1CCCO1 Fc1cccc(c1F)[*:1] O=C(C[*:1])N(Cc1ccccc1)C[C@@H]1CCCO1
CN(CCC#N)c1cc(-c2ccccc2)nc2ncnn12 N#CCC[*:1] CN(c1cc(nc2ncnn12)-c1ccccc1)[*:1]
CN(CCC#N)c1cc(-c2ccccc2)nc2ncnn12 CN(CCC#N)[*:1] c1ccc(cc1)-c1cc(n2ncnc2n1)[*:1]
CN(CCC#N)c1cc(-c2ccccc2)nc2ncnn12 N#CC[*:1] CN(C[*:1])c1cc(nc2ncnn12)-c1ccccc1
CN(CCC#N)c1cc(-c2ccccc2)nc2ncnn12 c1ccc(cc1)[*:1] CN(CCC#N)c1cc(nc2ncnn12)[*:1]
C[C@H]1COC[C@@H](C)N1C(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] C[C@H]1COC[C@@H](C)N1C(=O)/C=C/c1ccc(cc1)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)c4cc(C5CC5)on4)CC3)[nH+]c2)no1 C1CC1[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)c1cc(on1)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)c4cc(C5CC5)on4)CC3)[nH+]c2)no1 Cc1nc(no1)[*:1] O=C(c1cc(on1)C1CC1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)c4cc(C5CC5)on4)CC3)[nH+]c2)no1 c1c(noc1C1CC1)[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCN(CC1)[C@H](C)C(=O)Nc1ccc(F)cc1
Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 Fc1ccc(cc1)[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
COc1cccc(CNC(=O)Cn2ncn3nc4c(c3c2=O)CCCC4)c1 COc1cccc(c1)[*:1] O=C(Cn1ncn2nc3CCCCc3c2c1=O)NC[*:1]
COc1cccc(CNC(=O)Cn2ncn3nc4c(c3c2=O)CCCC4)c1 COc1cccc(c1)C[*:1] O=C(Cn1ncn2nc3CCCCc3c2c1=O)N[*:1]
CC[C@H](CSC)N(C)C(=O)N[C@H]1CCC[C@@H]1SC CSC[*:1] CC[C@H](N(C)C(=O)N[C@H]1CCC[C@@H]1SC)[*:1]
CC[C@H](CSC)N(C)C(=O)N[C@H]1CCC[C@@H]1SC CC[C@H](CSC)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N(C)[*:1]
CNC(=O)c1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 CNC(=O)[*:1] O=C(Oc1cccc(c1)[*:1])[C@H]1C[C@H]1c1ccccc1Cl
CNC(=O)c1cccc(OC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 Clc1ccccc1[*:1] CNC(=O)c1cccc(c1)OC(=O)[C@H]1C[C@@H]1[*:1]
Cc1ccc(-c2nc(Nc3ncccn3)sc2C)cc1 c1cnc(nc1)[*:1] Cc1ccc(cc1)-c1nc(N[*:1])sc1C
Cc1ccccc1NC(=O)Nc1nc(C)c(C(=O)N(C)C)s1 Cc1ccccc1[*:1] Cc1nc(NC(=O)N[*:1])sc1C(=O)N(C)C
Cc1ccccc1NC(=O)Nc1nc(C)c(C(=O)N(C)C)s1 CN(C)C(=O)[*:1] Cc1ccccc1NC(=O)Nc1nc(C)c(s1)[*:1]
O=c1[nH]c2scc(-c3ccccc3Cl)c2c(=O)n1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=c1[nH]c2scc(-c3ccccc3Cl)c2c(=O)n1[*:1]
O=c1[nH]c2scc(-c3ccccc3Cl)c2c(=O)n1-c1ccc(Cl)cc1 Clc1ccccc1[*:1] O=c1[nH]c2scc(c2c(=O)n1-c1ccc(Cl)cc1)[*:1]
CC1(C)CN(C(=O)Nc2ccn(-c3ncccc3Cl)n2)CC[S@]1=O Clc1cccnc1[*:1] CC1(C)CN(CC[S@]1=O)C(=O)Nc1ccn(n1)[*:1]
O=Cc1ccc(O[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 c1coc(c1)[*:1] O=Cc1ccc(cc1)O[C@@H](NC(=O)[*:1])C(Cl)(Cl)Cl
O=Cc1ccc(O[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 ClC(Cl)(Cl)[*:1] O=Cc1ccc(cc1)O[C@@H](NC(=O)c1ccco1)[*:1]
COc1ccc(CNC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)CNC(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1CNC(=O)Nc1cccc(S(N)(=O)=O)c1 Cc1ccccc1[*:1] NS(=O)(=O)c1cccc(c1)NC(=O)NC[*:1]
Cc1ccccc1CNC(=O)Nc1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] Cc1ccccc1CNC(=O)Nc1cccc(c1)[*:1]
Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 c1coc(c1)[*:1] Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccco2)c(s1)[*:1]
Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 Cc1csc(=O)n1[*:1] O=C(C[*:1])Nc1nc(-c2ccco2)c(s1)-c1ccco1
Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 Cc1csc(=O)n1C[*:1] O=C(Nc1nc(-c2ccco2)c(s1)-c1ccco1)[*:1]
Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 c1coc(c1)[*:1] Cc1csc(=O)n1CC(=O)Nc1nc(c(s1)-c1ccco1)[*:1]
CC(C)c1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1 CC(C)[*:1] O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(cc1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)C(=O)Nc2cccnc2)C1 CC(C)[*:1] O=C(Nc1cccnc1)C(=O)N1CC[C@@H](C1)OCC[*:1]
CC(C)CCO[C@H]1CCN(C(=O)C(=O)Nc2cccnc2)C1 CC(C)CC[*:1] O=C(Nc1cccnc1)C(=O)N1CC[C@@H](C1)O[*:1]
CC(C)CCO[C@H]1CCN(C(=O)C(=O)Nc2cccnc2)C1 CC(C)CCO[*:1] O=C(Nc1cccnc1)C(=O)N1CC[C@@H](C1)[*:1]
CC(C)CCO[C@H]1CCN(C(=O)C(=O)Nc2cccnc2)C1 c1cncc(c1)[*:1] CC(C)CCO[C@H]1CCN(C1)C(=O)C(=O)N[*:1]
CC(C)CCO[C@H]1CCN(C(=O)C(=O)Nc2cccnc2)C1 CC(C)C[*:1] O=C(Nc1cccnc1)C(=O)N1CC[C@@H](C1)OC[*:1]
CN1C(=O)C[C@H](C(=O)N2CCN(CCS(C)(=O)=O)CC2)[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CN1C(=O)C[C@H](C(=O)N2CCN(CC2)CCS(C)(=O)=O)[C@H]1[*:1]
CN1C(=O)C[C@H](C(=O)N2CCN(CCS(C)(=O)=O)CC2)[C@@H]1c1cccc(F)c1 CS(=O)(=O)[*:1] CN1C(=O)C[C@H](C(=O)N2CCN(CC2)CC[*:1])[C@@H]1c1cccc(F)c1
CN1C(=O)C[C@H](C(=O)N2CCN(CCS(C)(=O)=O)CC2)[C@@H]1c1cccc(F)c1 CS(=O)(=O)CC[*:1] CN1C(=O)C[C@H](C(=O)N2CCN(CC2)[*:1])[C@@H]1c1cccc(F)c1
CN1C(=O)C[C@H](C(=O)N2CCN(CCS(C)(=O)=O)CC2)[C@@H]1c1cccc(F)c1 CS(=O)(=O)C[*:1] CN1C(=O)C[C@H](C(=O)N2CCN(CC2)C[*:1])[C@@H]1c1cccc(F)c1
C[C@]([NH3+])(CCc1cccs1)c1cc(F)cc(F)c1 c1csc(c1)[*:1] C[C@]([NH3+])(CC[*:1])c1cc(F)cc(F)c1
C[C@]([NH3+])(CCc1cccs1)c1cc(F)cc(F)c1 c1csc(c1)C[*:1] C[C@]([NH3+])(C[*:1])c1cc(F)cc(F)c1
Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])NC(=O)C(=O)N[C@H]1C[C@@H]1C
Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])NC(=O)C(=O)N[C@H]1C[C@@H]1C
Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)sc1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccccc1
Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)sc1C(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)sc1C(=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] Cc1nc(sc1[*:1])[C@@H]1CCCN(C1)C(=O)c1ccccc1
COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCO4)CC2)cc1OC c1cc2OCOc2cc1[*:1] COc1ccc(cc1OC)C(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1[*:1]
COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCO4)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C([C@@H]1C[C@H]1c1ccc2OCOc2c1)N1CCN(CC1)C(=O)[*:1]
CO[C@H](C)C(=O)c1cc(Cl)ccc1Cl CO[C@H](C)[*:1] O=C(c1cc(Cl)ccc1Cl)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc2c(c1)OCCCO2 CC(C)(C)C(=O)N[*:1] C[C@@H](C(=O)Nc1ccc2OCCCOc2c1)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc2c(c1)OCCCO2 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1ccc2OCCCOc2c1
CCc1nn(C)cc1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 CCc1nn(C)cc1[*:1] CC1CC[NH+](CC1)Cc1ccc(cc1)NC(=O)[*:1]
CC(C)c1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)on1 C1CC1[*:1] CC(C)c1cc(on1)C(=O)N(Cc1ccc(cc1)C(=O)N[*:1])C1CC1
CC(C)c1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)on1 CC(C)[*:1] O=C(NC1CC1)c1ccc(cc1)CN(C(=O)c1cc(no1)[*:1])C1CC1
CC(C)c1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)on1 C1CC1[*:1] CC(C)c1cc(on1)C(=O)N(Cc1ccc(cc1)C(=O)NC1CC1)[*:1]
CC(C)c1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)on1 O=C(NC1CC1)[*:1] CC(C)c1cc(on1)C(=O)N(Cc1ccc(cc1)[*:1])C1CC1
CC(C)c1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)on1 CC(C)c1cc(on1)[*:1] O=C(NC1CC1)c1ccc(cc1)CN(C(=O)[*:1])C1CC1
C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(nc3ccccc32)C(=O)N1Cc1ccccc1F O=C(NC1CCCCCCC1)[*:1] C[C@@]1(Cn2c(nc3ccccc32)C(=O)N1Cc1ccccc1F)[*:1]
C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(nc3ccccc32)C(=O)N1Cc1ccccc1F C1CCCC(CCC1)[*:1] C[C@@]1(Cn2c(nc3ccccc32)C(=O)N1Cc1ccccc1F)C(=O)N[*:1]
C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(nc3ccccc32)C(=O)N1Cc1ccccc1F Fc1ccccc1[*:1] C[C@@]1(Cn2c(nc3ccccc32)C(=O)N1C[*:1])C(=O)NC1CCCCCCC1
C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(nc3ccccc32)C(=O)N1Cc1ccccc1F Fc1ccccc1C[*:1] C[C@@]1(Cn2c(nc3ccccc32)C(=O)N1[*:1])C(=O)NC1CCCCCCC1
Cc1ccc([C@H]2CN(c3ccc4nnc(C)n4n3)CCO2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nnc2ccc(nn12)N1CCO[C@H](C1)[*:1]
O=C1CC[C@@H](CC(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)N1 c1ccc(cc1)[*:1] O=C1CC[C@@H](CC(=O)N2CCC(CC2)(O[*:1])C(=O)[O-])N1
O=C1CC[C@@H](CC(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)N1 O=C([O-])[*:1] O=C1CC[C@@H](CC(=O)N2CCC(CC2)(Oc2ccccc2)[*:1])N1
O=C1CC[C@@H](CC(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)N1 c1ccc(cc1)O[*:1] O=C1CC[C@@H](CC(=O)N2CCC(CC2)(C(=O)[O-])[*:1])N1
O=C1C[C@@H](CC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)CO1 Clc1cccc(c1)[*:1] O=C1C[C@H](CO1)CC(=O)N1CC[C@H](C1)O[*:1]
Cc1cc(C)c(NS(=O)(=O)c2ccc(N3CCCCC3=O)cc2)c(C)c1 O=C1CCCCN1[*:1] Cc1cc(C)c(NS(=O)(=O)c2ccc(cc2)[*:1])c(C)c1
Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)N2CCOCC2)cc1F C1CN(CCO1)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)NC[C@@H](C)[*:1]
Cc1ccc(F)cc1NC(=O)NC[C@@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(F)cc1NC(=O)NC[C@@](C)(O)[*:1]
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H](CCO)C(C)C CC(C)[*:1] Cc1cc2c(CC(C)(C)C[C@H]2NC(=O)N[C@@H](CCO)[*:1])o1
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H](CCO)C(C)C OCC[*:1] Cc1cc2c(CC(C)(C)C[C@H]2NC(=O)N[C@@H](C(C)C)[*:1])o1
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H](CCO)C(C)C CC(C)[C@H](CCO)[*:1] Cc1cc2c(CC(C)(C)C[C@H]2NC(=O)N[*:1])o1
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N Brc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CSc1nnc(n1N)[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N Cc1cccc(C)c1[*:1] Nn1c(nnc1-c1ccc(Br)cc1)SCC(=O)N[*:1]
COc1ccc(-n2ccnc2SCc2coc(-c3ccc(C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-n1ccnc1SCc1coc(n1)[*:1]
COc1ccc(-n2ccnc2SCc2coc(-c3ccc(C)cc3)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(co1)CSc1nccn1[*:1]
Cc1ccc(OCCCC(=O)N(C(C)C)C(C)C)c(Br)c1 CC(C)[*:1] Cc1ccc(OCCCC(=O)N(C(C)C)[*:1])c(Br)c1
Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)CS(C)(=O)=O)[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1F CS(=O)(=O)C[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1F CS(=O)(=O)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)Nc1cccc(c1)C[*:1]
Cc1noc(C(C)C)c1C(=O)Nc1nnc(C2CCCCC2)s1 CC(C)[*:1] Cc1noc(c1C(=O)Nc1nnc(s1)C1CCCCC1)[*:1]
Cc1noc(C(C)C)c1C(=O)Nc1nnc(C2CCCCC2)s1 C1CCC(CC1)[*:1] Cc1noc(c1C(=O)Nc1nnc(s1)[*:1])C(C)C
COC[C@@H](C)CC(=O)N1CCCC[C@@H]1CC(=O)[O-] COC[C@@H](C)C[*:1] O=C([O-])C[C@H]1CCCCN1C(=O)[*:1]
COC[C@@H](C)CC(=O)N1CCCC[C@@H]1CC(=O)[O-] O=C([O-])C[*:1] COC[C@@H](C)CC(=O)N1CCCC[C@H]1[*:1]
COC[C@@H](C)CC(=O)N1CCCC[C@@H]1CC(=O)[O-] O=C([O-])[*:1] COC[C@@H](C)CC(=O)N1CCCC[C@@H]1C[*:1]
COC[C@@H](C)CC(=O)N1CCCC[C@@H]1CC(=O)[O-] COC[C@@H](C)[*:1] O=C([O-])C[C@H]1CCCCN1C(=O)C[*:1]
COC[C@@H](C)CC(=O)N1CCCC[C@@H]1CC(=O)[O-] COC[*:1] C[C@@H](CC(=O)N1CCCC[C@@H]1CC(=O)[O-])[*:1]
C=CCNC(=O)c1cc2sc(Br)cc2n1Cc1ccccc1OC C=CCNC(=O)[*:1] COc1ccccc1Cn1c(cc2sc(Br)cc21)[*:1]
C=CCNC(=O)c1cc2sc(Br)cc2n1Cc1ccccc1OC COc1ccccc1[*:1] C=CCNC(=O)c1cc2sc(Br)cc2n1C[*:1]
C=CCNC(=O)c1cc2sc(Br)cc2n1Cc1ccccc1OC C=CC[*:1] COc1ccccc1Cn1c(cc2sc(Br)cc21)C(=O)N[*:1]
Cc1cc(C)cc(NC(=O)CCCc2nnc3n(CC(C)C)c(=O)c4sccc4n23)c1 Cc1cc(C)cc(c1)[*:1] CC(C)Cn1c(=O)c2sccc2n2c(CCCC(=O)N[*:1])nnc12
Cc1cc(C)cc(NC(=O)CCCc2nnc3n(CC(C)C)c(=O)c4sccc4n23)c1 CC(C)[*:1] Cc1cc(C)cc(c1)NC(=O)CCCc1nnc2n(C[*:1])c(=O)c3sccc3n12
Cc1cc(C)cc(NC(=O)CCCc2nnc3n(CC(C)C)c(=O)c4sccc4n23)c1 CC(C)C[*:1] Cc1cc(C)cc(c1)NC(=O)CCCc1nnc2n(c(=O)c3sccc3n12)[*:1]
Cc1c(Cl)cccc1NC(=O)NCCCn1c(-c2ccncc2)nc2cccnc21 Cc1c(Cl)cccc1[*:1] O=C(NCCCn1c(nc2cccnc21)-c1ccncc1)N[*:1]
Cc1c(Cl)cccc1NC(=O)NCCCn1c(-c2ccncc2)nc2cccnc21 c1cc(ccn1)[*:1] Cc1c(Cl)cccc1NC(=O)NCCCn1c(nc2cccnc21)[*:1]
CCOC(=O)CNS(=O)(=O)c1cccc(Cl)c1F CCOC(=O)C[*:1] O=S(=O)(N[*:1])c1cccc(Cl)c1F
CCOC(=O)CNS(=O)(=O)c1cccc(Cl)c1F CCOC(=O)[*:1] O=S(=O)(NC[*:1])c1cccc(Cl)c1F
O=C([C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1)N1CCC[NH2+]CC1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCN(C1)c1nc(nc2CCCc21)[*:1])N1CCC[NH2+]CC1
COCCN1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1=O COCC[*:1] O=C(Nc1ccc2oc(nc2c1)C1CC1)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)Nc1ccc2oc(nc2c1)C1CC1
COCCN1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1=O C1CC1[*:1] COCCN1CCN(CC1=O)C(=O)Nc1ccc2oc(nc2c1)[*:1]
Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H]([NH+]1CCCCC1)[*:1])c1ccc(Br)cc1
Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCCC2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+]1CCCCC1
CCC(=O)N[C@@H]1CCCN(C(=O)NCCCCC2CCCC2)C1 C1CCC(C1)C[*:1] CCC(=O)N[C@@H]1CCCN(C1)C(=O)NCCC[*:1]
CCC(=O)N[C@@H]1CCCN(C(=O)NCCCCC2CCCC2)C1 C1CCC(C1)[*:1] CCC(=O)N[C@@H]1CCCN(C1)C(=O)NCCCC[*:1]
CCC(=O)N[C@@H]1CCCN(C(=O)NCCCCC2CCCC2)C1 C1CCC(C1)CC[*:1] CCC(=O)N[C@@H]1CCCN(C1)C(=O)NCC[*:1]
CCC(=O)N[C@@H]1CCCN(C(=O)NCCCCC2CCCC2)C1 CCC(=O)N[*:1] O=C(NCCCCC1CCCC1)N1CCC[C@H](C1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 CCC(=O)N[*:1] O=S(=O)(Nc1ccc(cc1)C(F)(F)F)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[*:1]
Cc1nc2cc(NC(=O)C(=O)NCC3(C)CCC3)ccc2o1 CC1(CCC1)C[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[*:1]
Cc1nc2cc(NC(=O)C(=O)NCC3(C)CCC3)ccc2o1 CC1(CCC1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)NC[*:1]
[NH3+][C@H](Cc1ccc2nnnn2n1)C1CC1 C1CC1[*:1] [NH3+][C@H](Cc1ccc2nnnn2n1)[*:1]
CC(C)[C@H]1CCCN(C(=O)c2cccc(Br)c2)CC1 CC(C)[*:1] O=C(c1cccc(Br)c1)N1CCC[C@@H](CC1)[*:1]
COc1cccc(Nc2nc(C)c(C(=O)Nc3ccc(C)cc3)s2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)Nc1nc(C)c(s1)C(=O)N[*:1]
COc1cccc(Nc2nc(C)c(C(=O)Nc3ccc(C)cc3)s2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)c1sc(nc1C)N[*:1]
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] Cc1ccc(s1)C(=O)NNC(=O)[*:1]
CN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)c1ccc(cc1)[*:1]
CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cc(OC)ccn1 Cc1ccc(cc1)[*:1] CCN(C[C@@H](O)[*:1])C(=O)c1cc(ccn1)OC
Cc1cc(NC(=O)C(=O)NCC[NH3+])n(C)n1 [NH3+]CC[*:1] Cc1cc(NC(=O)C(=O)N[*:1])n(C)n1
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1cccs1 c1csc(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)CS[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1cccs1 c1csc(c1)S[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1cccs1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)CSc1cccs1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1cccs1 c1csc(c1)SC[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)[*:1]
COC(=O)CCc1ccc(OC[C@@H]2CO2)cc1 COC(=O)C[*:1] c1cc(ccc1C[*:1])OC[C@@H]1CO1
COC(=O)CCc1ccc(OC[C@@H]2CO2)cc1 C1O[C@@H]1[*:1] COC(=O)CCc1ccc(cc1)OC[*:1]
COC(=O)CCc1ccc(OC[C@@H]2CO2)cc1 C1O[C@@H]1CO[*:1] COC(=O)CCc1ccc(cc1)[*:1]
COC(=O)CCc1ccc(OC[C@@H]2CO2)cc1 COC(=O)[*:1] c1cc(ccc1CC[*:1])OC[C@@H]1CO1
COC(=O)CCc1ccc(OC[C@@H]2CO2)cc1 C1O[C@@H]1C[*:1] COC(=O)CCc1ccc(cc1)O[*:1]
Cc1c(-c2[nH+]c(C(C)(C)C)n(N)c2N)cnn1C CC(C)(C)[*:1] Cc1c(cnn1C)-c1[nH+]c(n(N)c1N)[*:1]
CC1=C(C(=O)Nc2ccccc2C)C2(CCCCC2)[C@H](C(N)=O)C(=O)N1 Cc1ccccc1[*:1] CC1NC(=O)[C@@H](C(N)=O)C2(CCCCC2)C=1C(=O)N[*:1]
CC1=C(C(=O)Nc2ccccc2C)C2(CCCCC2)[C@H](C(N)=O)C(=O)N1 NC(=O)[*:1] CC1NC(=O)[C@@H](C2(CCCCC2)C=1C(=O)Nc1ccccc1C)[*:1]
O=C(c1cccc(F)c1F)N1CCC[C@H]1[C@H]1CCC[C@@H]1O O[C@H]1CCC[C@@H]1[*:1] O=C(c1cccc(F)c1F)N1CCC[C@@H]1[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(F)c(F)cc2F)cc1OC COc1ccc(cc1OC)[*:1] O=C(Nc1cc(F)c(F)cc1F)c1cn(nc1[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(F)c(F)cc2F)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nn(cc1C(=O)Nc1cc(F)c(F)cc1F)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(F)c(F)cc2F)cc1OC Fc1cc(F)c(cc1F)[*:1] COc1ccc(cc1OC)-c1nn(cc1C(=O)N[*:1])-c1ccccc1
CCCC[C@H](O)[C@@H]1CCO[C@]2(CCSC2)C1 CCCC[*:1] O[C@H]([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CCCC[C@H](O)[C@@H]1CCO[C@]2(CCSC2)C1 CCC[*:1] O[C@@H](C[*:1])[C@@H]1CCO[C@]2(CCSC2)C1
C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)n2)C1 Fc1ccccc1[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2csc(n2)NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])C1
Cc1cccc(OCc2nnc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)o2)c1 Cc1cccc(c1)O[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(C[*:1])o1
Cc1cccc(OCc2nnc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)o2)c1 Cc1cccc(c1)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(CO[*:1])o1
Cc1cccc(OCc2nnc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)o2)c1 Cc1cccc(c1)OC[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(o1)[*:1]
COC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)/C(=C/c1ccccc1)NC(=O)[*:1]
COC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C(=C[*:1])NC(=O)c1ccccc1
COC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 COC(=O)[*:1] O=C(N/C(=C\c1ccccc1)[*:1])c1ccccc1
COc1ccc(C(=O)N[C@@H](C(=O)Oc2ccc(Cl)cc2C)C(C)C)cc1 COc1ccc(cc1)[*:1] Cc1cc(Cl)ccc1OC(=O)[C@H](NC(=O)[*:1])C(C)C
COc1ccc(C(=O)N[C@@H](C(=O)Oc2ccc(Cl)cc2C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)N[C@@H](C(=O)Oc1ccc(Cl)cc1C)[*:1]
COc1ccc(C(=O)N[C@@H](C(=O)Oc2ccc(Cl)cc2C)C(C)C)cc1 Cc1cc(Cl)ccc1[*:1] COc1ccc(cc1)C(=O)N[C@@H](C(=O)O[*:1])C(C)C
COc1ccc(F)cc1C(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(F)cc1C(=O)NCc1nccn1C[*:1]
COc1ccc(F)cc1C(=O)NCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(F)cc1C(=O)NCc1nccn1[*:1]
O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NCc1cscn1 c1nc(cs1)C[*:1] O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[*:1]
O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NCc1cscn1 c1nc(cs1)[*:1] O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[*:1]
O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(cc1)[*:1]
O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(cc1)O[*:1]
C[C@@H](CCn1cc(N)cn1)C(N)=O NC(=O)[*:1] C[C@@H](CCn1cc(N)cn1)[*:1]
Cc1c(CNc2cnn(-c3ccccc3Br)c2)cnn1C Brc1ccccc1[*:1] Cc1c(cnn1C)CNc1cnn(c1)[*:1]
Cc1c(CNc2cnn(-c3ccccc3Br)c2)cnn1C Cc1c(cnn1C)[*:1] Brc1ccccc1-n1cc(cn1)NC[*:1]
CC(=O)c1ccccc1NCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 CC(=O)[*:1] O=C(CNc1ccccc1[*:1])N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
CC(=O)c1ccccc1NCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] CC(=O)c1ccccc1NCC(=O)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
CC(=O)c1ccccc1NCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 CC(=O)c1ccccc1N[*:1] O=C(C[*:1])N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
CC(=O)c1ccccc1NCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 CC(=O)c1ccccc1[*:1] O=C(CN[*:1])N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
CCN1C[C@@H](C(=O)[O-])CC1=O O=C([O-])[*:1] CCN1C[C@@H](CC1=O)[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1C(C)C CCCC[*:1] CC(C)c1ccccc1NC(=O)[C@H]1CSCN1C(=O)[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1C(C)C CCC[*:1] CC(C)c1ccccc1NC(=O)[C@H]1CSCN1C(=O)C[*:1]
CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1C(C)C CC(C)[*:1] CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1[*:1]
CC[C@H](CO)[NH2+]Cc1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CC[C@H](CO)[NH2+]Cc1ccc(cc1)[*:1]
CC(C)(C[NH2+][C@H]1CCc2ccccc21)C(=O)[O-] O=C([O-])[*:1] CC(C)(C[NH2+][C@H]1CCc2ccccc21)[*:1]
Cc1nn(C)c(C)c1CN(CCO)C(=O)CC12CC3CC(CC(C3)C1)C2 Cc1nn(C)c(C)c1[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)N(CCO)C[*:1]
Cc1nn(C)c(C)c1CN(CCO)C(=O)CC12CC3CC(CC(C3)C1)C2 OCC[*:1] Cc1nn(C)c(C)c1CN(C(=O)CC12CC3CC(CC(C3)C1)C2)[*:1]
CC(C)c1cc(C(=O)NCCc2ccc(-n3cccn3)cc2)n(C)n1 c1cnn(c1)[*:1] CC(C)c1cc(C(=O)NCCc2ccc(cc2)[*:1])n(C)n1
CC(C)c1cc(C(=O)NCCc2ccc(-n3cccn3)cc2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)NCCc1ccc(cc1)-n1cccn1)[*:1]
NC(=O)C[C@@H](C[NH3+])N1CCc2ccccc2CC1 NC(=O)[*:1] [NH3+]C[C@H](C[*:1])N1CCc2ccccc2CC1
NC(=O)C[C@@H](C[NH3+])N1CCc2ccccc2CC1 NC(=O)C[*:1] [NH3+]C[C@@H](N1CCc2ccccc2CC1)[*:1]
Cc1cccc(CS(=O)(=O)NCc2nnc3ccccn23)c1 Cc1cccc(c1)[*:1] O=S(=O)(C[*:1])NCc1nnc2ccccn12
Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](OC(=O)[C@H]1CC(=O)N(C1)C1CCCC1)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCOc1cc2c(cc1/C=C/C(=O)OC[C@H]1CCCCO1)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(/C=C/C(=O)OC[C@H]3CCCCO3)cc2O1)[*:1]
CCOc1cc2c(cc1/C=C/C(=O)OC[C@H]1CCCCO1)O[C@@H](C)C2 C1CC[C@@H](OC1)[*:1] CCOc1cc2C[C@H](C)Oc2cc1/C=C/C(=O)OC[*:1]
CCOc1cc2c(cc1/C=C/C(=O)OC[C@H]1CCCCO1)O[C@@H](C)C2 C1CC[C@H](C[*:1])OC1 CCOc1cc2C[C@H](C)Oc2cc1/C=C/C(=O)O[*:1]
Cc1ccc(CNc2ccc(C(=O)[O-])cc2Br)cc1 O=C([O-])[*:1] Cc1ccc(cc1)CNc1ccc(cc1Br)[*:1]
COC[C@H](C)Nc1ncnc(OC)c1[N+](=O)[O-] COC[*:1] COc1ncnc(N[C@@H](C)[*:1])c1[N+](=O)[O-]
COC[C@H](C)Nc1ncnc(OC)c1[N+](=O)[O-] COC[C@H](C)[*:1] COc1ncnc(N[*:1])c1[N+](=O)[O-]
COC[C@H](C)Nc1ncnc(OC)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COC[C@H](C)Nc1ncnc(OC)c1[*:1]
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(F)ccc(F)c2C1 CC(C)(C)[*:1] CC[C@@H](NC(=O)O[*:1])C(=O)N1CCc2c(F)ccc(F)c2C1
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(F)ccc(F)c2C1 CC(C)(C)OC(=O)N[*:1] CC[C@@H](C(=O)N1CCc2c(F)ccc(F)c2C1)[*:1]
C=CCN(CC=C)C(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O C=CC[*:1] C=CCN(C(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O)[*:1]
CC(C)C[C@H](C(=O)Nc1nccn(C)c1=O)N1CCCCC1=O CC(C)C[*:1] Cn1ccnc(NC(=O)[C@H](N2CCCCC2=O)[*:1])c1=O
CC(C)C[C@H](C(=O)Nc1nccn(C)c1=O)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@H](C(=O)Nc1nccn(C)c1=O)[*:1]
CC(C)C[C@H](C(=O)Nc1nccn(C)c1=O)N1CCCCC1=O CC(C)[*:1] Cn1ccnc(NC(=O)[C@@H](C[*:1])N2CCCCC2=O)c1=O
COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 O=C(N[*:1])c1ccccc1 COC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 COC(=O)[*:1] O=C(Nc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)NC(=O)[*:1]
C[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1C[C@@H]1CCOC1 C1C[C@H](CO1)C[*:1] C[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1[*:1]
C[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1C[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1C[*:1]
C=CCN1C(C)=C(c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)C[C@H]1C c1cc2[nH]nnc2cc1[*:1] C=CCN1C(C)=C(C[C@H]1C)c1csc(n1)NC(=O)[*:1]
C=CCN1C(C)=C(c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)C[C@H]1C C=CC[*:1] CC1=C(C[C@@H](C)N1[*:1])c1csc(n1)NC(=O)c1ccc2[nH]nnc2c1
C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)[*:1]
Cc1nc2cc(NCc3ccncc3)ccc2o1 c1cc(ccn1)[*:1] Cc1nc2cc(ccc2o1)NC[*:1]
CN[C@]1(C#N)CCC[C@H]1CCSCCCO OCC[*:1] CN[C@]1(C#N)CCC[C@H]1CCSC[*:1]
CN[C@]1(C#N)CCC[C@H]1CCSCCCO OCCCS[*:1] CN[C@]1(C#N)CCC[C@H]1CC[*:1]
CN[C@]1(C#N)CCC[C@H]1CCSCCCO OCCC[*:1] CN[C@]1(C#N)CCC[C@H]1CCS[*:1]
CN(Cc1ccccc1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)[C@H]1CCCCN1S(=O)(=O)[*:1]
CN(Cc1ccccc1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1
CN(Cc1ccccc1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)C[*:1] CN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)[*:1]
CC(C)c1ocnc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CC(C)c1ocnc1[*:1] O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
CC(C)c1ocnc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 CC(C)[*:1] O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ncoc1[*:1]
CC(C)c1ocnc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CC(C)c1ocnc1C(=O)N[C@H]1CCO[C@H]1[*:1]
COC(=O)c1ccc(OC)cc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1OCC(=O)N1CCN(CC1)[*:1])OC
COC(=O)c1ccc(OC)cc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 COC(=O)[*:1] COc1ccc(c(c1)OCC(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1]
Cn1cc(COC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cn1 Fc1ccc(cc1)[*:1] Cn1cc(cn1)COC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
Cn1cc(COC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cn1 Cn1cc(cn1)C[*:1] O=C(O[*:1])[C@H]1CCCN(C1)C(=O)Cc1ccc(F)cc1
Cn1cc(COC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cn1 Fc1ccc(cc1)C[*:1] Cn1cc(cn1)COC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cn1cc(COC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cn1 Cn1cc(cn1)[*:1] O=C(OC[*:1])[C@H]1CCCN(C1)C(=O)Cc1ccc(F)cc1
CC(C)[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1)N1CCOCC1 CC(C)[*:1] CC(C)(C)c1cc(no1)NC(=O)C(=O)NC[C@H](N1CCOCC1)[*:1]
CC(C)[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1)N1CCOCC1 CC(C)(C)[*:1] CC(C)[C@H](CNC(=O)C(=O)Nc1cc(on1)[*:1])N1CCOCC1
CC(C)[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@H](CNC(=O)C(=O)Nc1cc(on1)C(C)(C)C)[*:1]
Cn1ccnc1-c1nccn1C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1-c1nccn1C(c1ccccc1)[*:1]
Cn1ccnc1-c1nccn1C(c1ccccc1)c1ccccc1 Cn1ccnc1[*:1] c1ccc(cc1)C(c1ccccc1)n1ccnc1[*:1]
C[C@@H]1CCc2sc(C(=O)NNC(=O)CCCNC(=O)c3ccco3)cc2C1 O=C(NC[*:1])c1ccco1 C[C@@H]1CCc2sc(cc2C1)C(=O)NNC(=O)CC[*:1]
C[C@@H]1CCc2sc(C(=O)NNC(=O)CCCNC(=O)c3ccco3)cc2C1 O=C(N[*:1])c1ccco1 C[C@@H]1CCc2sc(cc2C1)C(=O)NNC(=O)CCC[*:1]
C[C@@H]1CCc2sc(C(=O)NNC(=O)CCCNC(=O)c3ccco3)cc2C1 c1coc(c1)[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)NNC(=O)CCCNC(=O)[*:1]
CC(C)[C@](C)(O)CNC(=O)Nc1cc(Cl)ccc1N(C)C CC(C)[*:1] CN(C)c1ccc(Cl)cc1NC(=O)NC[C@](C)(O)[*:1]
CC(C)[C@](C)(O)CNC(=O)Nc1cc(Cl)ccc1N(C)C CN(C)[*:1] CC(C)[C@](C)(O)CNC(=O)Nc1cc(Cl)ccc1[*:1]
O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cccc(c1)[*:1]
CCc1cc(=O)[nH]c2cc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc12 FC(F)(F)[*:1] CCc1cc(=O)[nH]c2cc(ccc12)NC(=O)c1cc(cc(c1)[*:1])C(F)(F)F
Cc1cc(NC(=O)CCc2ccc(F)c(F)c2)no1 Cc1cc(no1)[*:1] O=C(CCc1ccc(F)c(F)c1)N[*:1]
Cn1c(C2CC2)nc2cc(Nc3ccc([N+](=O)[O-])cn3)ccc21 O=[N+]([O-])[*:1] Cn1c(nc2cc(ccc21)Nc1ccc(cn1)[*:1])C1CC1
Cn1c(C2CC2)nc2cc(Nc3ccc([N+](=O)[O-])cn3)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)Nc1ccc(cn1)[N+](=O)[O-])[*:1]
CC[C@H](C)c1ccccc1OCC(=O)N1CCC2(CC1)CNC(=O)C2 CC[C@H](C)[*:1] O=C1CC2(CCN(CC2)C(=O)COc2ccccc2[*:1])CN1
CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccncc2Cl)CC1 CC[C@H](C)NC(=O)[*:1] O=C(c1ccncc1Cl)N1CCN(CC1)C[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccncc2Cl)CC1 CC[C@H](C)[*:1] O=C(CN1CCN(CC1)C(=O)c1ccncc1Cl)N[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccncc2Cl)CC1 Clc1cnccc1[*:1] CC[C@H](C)NC(=O)CN1CCN(CC1)C(=O)[*:1]
O=C([O-])Cc1ccc(NC(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] O=C([O-])Cc1ccc(cc1)NC(=O)[*:1]
O=C([O-])Cc1ccc(NC(=O)C2CCCC2)cc1 O=C([O-])C[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCCC1
O=C([O-])Cc1ccc(NC(=O)C2CCCC2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)C[*:1])C1CCCC1
CC[C@H](C)[NH2+][C@@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[NH2+][C@@H](CC(=O)c1cc2ccccc2oc1=O)[*:1]
Cc1csc(CN(C)C(=O)c2c(Cl)ccc(Cl)c2Cl)n1 Cc1csc(n1)[*:1] CN(C[*:1])C(=O)c1c(Cl)ccc(Cl)c1Cl
CCn1c([C@H](C)[NH2+][C@@H](C)c2ccsc2)nc2ccccc21 c1cc(cs1)[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+][C@@H](C)[*:1]
COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]1c1cccc(Br)c1 C1CO[C@@H](C1)C[*:1] COC(=O)C1=C(C)NC(C)=C(C(=O)O[*:1])[C@@H]1c1cccc(Br)c1
COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]1c1cccc(Br)c1 O=C(OC[C@@H]1CCCO1)[*:1] COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(Br)c1)[*:1]
COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]1c1cccc(Br)c1 COC(=O)[*:1] CC1NC(C)=C([C@H](C=1C(=O)OC[C@@H]1CCCO1)c1cccc(Br)c1)[*:1]
COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]1c1cccc(Br)c1 C1CO[C@@H](C1)[*:1] COC(=O)C1=C(C)NC(C)=C(C(=O)OC[*:1])[C@@H]1c1cccc(Br)c1
COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]1[*:1]
Cc1ccc(CNC(=O)c2cnc(-c3ccccc3)nc2C)o1 Cc1ccc(C[*:1])o1 Cc1nc(ncc1C(=O)N[*:1])-c1ccccc1
Cc1ccc(CNC(=O)c2cnc(-c3ccccc3)nc2C)o1 c1ccc(cc1)[*:1] Cc1ccc(CNC(=O)c2cnc(nc2C)[*:1])o1
Cc1ccc(CNC(=O)c2cnc(-c3ccccc3)nc2C)o1 Cc1ccc(o1)[*:1] Cc1nc(ncc1C(=O)NC[*:1])-c1ccccc1
C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc2cnccc12)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc2cnccc12)[*:1]
NS(=O)(=O)c1cccc(-c2ccc(C=O)o2)c1 NS(=O)(=O)[*:1] O=Cc1ccc(o1)-c1cccc(c1)[*:1]
Cc1cc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)ccc1-n1cnnn1 Oc1ccc(cc1)[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)N[C@@H](C)CC[*:1]
Cc1cc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)ccc1-n1cnnn1 Oc1ccc(cc1)C[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)N[C@@H](C)C[*:1]
Cc1cc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)ccc1-n1cnnn1 Oc1ccc(cc1)CC[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)N[C@@H](C)[*:1]
Cc1cc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@@H](C)CCc1ccc(O)cc1
COCCn1ccc2ccc(NC(=O)C3(C#N)CCCC3)cc21 COC[*:1] N#CC1(CCCC1)C(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)C3(C#N)CCCC3)cc21 COCC[*:1] N#CC1(CCCC1)C(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)C3(C#N)CCCC3)cc21 N#CC1(CCCC1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)[*:1]
O=C(CCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)NC1CCCC1 c1ccc(cc1)[*:1] O=C(CCNC(=O)[C@H]1CCCN1C(=O)C[*:1])NC1CCCC1
O=C(CCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)N[*:1]
O=C(CCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)NC1CCCC1 c1ccc(cc1)C[*:1] O=C(CCNC(=O)[C@H]1CCCN1C(=O)[*:1])NC1CCCC1
O=C(CCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C(NCC[*:1])[C@H]1CCCN1C(=O)Cc1ccccc1
O=C(CCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)NC1CCCC1 O=C(C[*:1])NC1CCCC1 O=C(NC[*:1])[C@H]1CCCN1C(=O)Cc1ccccc1
c1ccc([C@@H]2OCC[C@H]2CNc2ncccn2)cc1 c1cnc(nc1)[*:1] c1ccc(cc1)[C@@H]1OCC[C@H]1CN[*:1]
c1ccc([C@@H]2OCC[C@H]2CNc2ncccn2)cc1 c1ccc(cc1)[*:1] c1cnc(nc1)NC[C@@H]1CCO[C@H]1[*:1]
CCn1c([C@@H](C)NC(=O)c2ccc(F)cc2)nc2ccccc21 Fc1ccc(cc1)[*:1] CCn1c(nc2ccccc21)[C@@H](C)NC(=O)[*:1]
C[C@H](OCc1ccccc1)C(=O)NNc1cccc(Cl)c1 c1ccc(cc1)C[*:1] C[C@H](O[*:1])C(=O)NNc1cccc(Cl)c1
C[C@H](OCc1ccccc1)C(=O)NNc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](OCc1ccccc1)C(=O)NN[*:1]
C[C@H](OCc1ccccc1)C(=O)NNc1cccc(Cl)c1 c1ccc(cc1)[*:1] C[C@H](OC[*:1])C(=O)NNc1cccc(Cl)c1
CC(C)(C)OC(=O)NC1CC[NH+](C2CCC2)CC1 CC(C)(C)[*:1] O=C(NC1CC[NH+](CC1)C1CCC1)O[*:1]
CC(C)(C)OC(=O)NC1CC[NH+](C2CCC2)CC1 C1CC(C1)[*:1] CC(C)(C)OC(=O)NC1CC[NH+](CC1)[*:1]
NC(=O)[C@@H]1CCN(C(=O)CSc2ccccc2F)c2ccccc21 Fc1ccccc1[*:1] NC(=O)[C@@H]1CCN(C(=O)CS[*:1])c2ccccc21
NC(=O)[C@@H]1CCN(C(=O)CSc2ccccc2F)c2ccccc21 Fc1ccccc1S[*:1] NC(=O)[C@@H]1CCN(C(=O)C[*:1])c2ccccc21
NC(=O)[C@@H]1CCN(C(=O)CSc2ccccc2F)c2ccccc21 NC(=O)[*:1] O=C(CSc1ccccc1F)N1CC[C@H](c2ccccc21)[*:1]
CC[C@@H](O)CN1CCN(c2ncnc3scc(-c4ccc(C)c(C)c4)c23)CC1 Cc1ccc(cc1C)[*:1] CC[C@@H](O)CN1CCN(CC1)c1ncnc2scc(c12)[*:1]
CC[C@@H](O)CN1CCN(c2ncnc3scc(-c4ccc(C)c(C)c4)c23)CC1 CC[C@@H](O)C[*:1] Cc1ccc(cc1C)-c1csc2ncnc(c12)N1CCN(CC1)[*:1]
COc1cc(C)sc1C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] COc1cc(C)sc1C(=O)N[C@H]1C[C@H](C)N(C1)[*:1]
O=C(CC1CCCC1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F O=[N+]([O-])[*:1] O=C(CC1CCCC1)N(Cc1ccccc1[*:1])CC(F)(F)F
O=C(CC1CCCC1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F FC(F)(F)C[*:1] O=C(CC1CCCC1)N(Cc1ccccc1[N+](=O)[O-])[*:1]
O=C(CC1CCCC1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F C1CCC(C1)C[*:1] O=C(N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F)[*:1]
O=C(CC1CCCC1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F FC(F)(F)[*:1] O=C(CC1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C[*:1]
O=C(CC1CCCC1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F C1CCC(C1)[*:1] O=C(C[*:1])N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F
C[C@H]1OCC[C@H]1C(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1 c1csc(c1)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1ccc2nc([nH]c2c1)[*:1]
CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccccc1 C[C@@H](C#N)[*:1] CCN(C[*:1])S(=O)(=O)c1ccccc1
CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccccc1 C[C@@H](C#N)C[*:1] CCN(S(=O)(=O)c1ccccc1)[*:1]
CC(C)CC1=[NH+][C@@H](c2cccc(=O)[nH]2)N(c2ccccn2)N1 O=c1cccc([nH]1)[*:1] CC(C)CC1NN(c2ccccn2)[C@H]([NH+]=1)[*:1]
CC(C)CC1=[NH+][C@@H](c2cccc(=O)[nH]2)N(c2ccccn2)N1 c1ccc(nc1)[*:1] CC(C)CC1NN([C@@H]([NH+]=1)c1cccc(=O)[nH]1)[*:1]
CC(C)CC1=[NH+][C@@H](c2cccc(=O)[nH]2)N(c2ccccn2)N1 CC(C)C[*:1] O=c1cccc([nH]1)[C@@H]1[NH+]=C(NN1c1ccccn1)[*:1]
CC(C)CC1=[NH+][C@@H](c2cccc(=O)[nH]2)N(c2ccccn2)N1 CC(C)[*:1] O=c1cccc([nH]1)[C@@H]1[NH+]=C(C[*:1])NN1c1ccccn1
CC(C)(CNC(=O)N[C@@H](CN1CCOCC1)c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N[C@@H](CN1CCOCC1)c1ccccc1)[*:1]
CC(C)(CNC(=O)N[C@@H](CN1CCOCC1)c1ccccc1)c1ccncc1 C1CN(CCO1)C[*:1] CC(C)(CNC(=O)N[C@@H](c1ccccc1)[*:1])c1ccncc1
CC(C)(CNC(=O)N[C@@H](CN1CCOCC1)c1ccccc1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NC[*:1])N[C@@H](CN1CCOCC1)c1ccccc1
CC(C)(CNC(=O)N[C@@H](CN1CCOCC1)c1ccccc1)c1ccncc1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)N[C@@H](C[*:1])c1ccccc1)c1ccncc1
CC(C)(CNC(=O)N[C@@H](CN1CCOCC1)c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)N[C@@H](CN1CCOCC1)[*:1])c1ccncc1
Cn1cnc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)n1 Cn1cnc(n1)[*:1] c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C[*:1]
CC(C)[C@H]([C@@H](C)O)[C@H]1CCOC1 C[C@@H](O)[*:1] CC(C)[C@H]([C@H]1CCOC1)[*:1]
CC(C)[C@H]([C@@H](C)O)[C@H]1CCOC1 CC(C)[*:1] C[C@@H](O)[C@H]([C@H]1CCOC1)[*:1]
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@@H]1CCCN(c2cnccn2)C1 C1CO[C@H](C1)C[*:1] O=C(Nc1cccc(c1)O[*:1])[C@@H]1CCCN(C1)c1cnccn1
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@@H]1CCCN(c2cnccn2)C1 C1CO[C@H](C1)[*:1] O=C(Nc1cccc(c1)OC[*:1])[C@@H]1CCCN(C1)c1cnccn1
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@@H]1CCCN(c2cnccn2)C1 C1CO[C@H](C1)CO[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CCCN(C1)c1cnccn1
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@@H]1CCCN(c2cnccn2)C1 c1cnc(cn1)[*:1] O=C(Nc1cccc(c1)OC[C@H]1CCCO1)[C@@H]1CCCN(C1)[*:1]
NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] NC1=C(C(=O)CN1c1ccc(cc1)C(=O)OCC(=O)N[*:1])c1nc2ccccc2s1
NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1 O=C(C[*:1])NC1CCCCC1 NC1=C(C(=O)CN1c1ccc(cc1)C(=O)O[*:1])c1nc2ccccc2s1
NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1 c1ccc2sc(nc2c1)[*:1] NC1=C(C(=O)CN1c1ccc(cc1)C(=O)OCC(=O)NC1CCCCC1)[*:1]
NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1 O=C(NC1CCCCC1)[*:1] NC1=C(C(=O)CN1c1ccc(cc1)C(=O)OC[*:1])c1nc2ccccc2s1
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)c2ccc(F)cc2F)o1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(o1)C(=O)NNC(=O)NC[C@H](C)[*:1]
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)c2ccc(F)cc2F)o1 Cc1ccc(o1)[*:1] C[C@@H](CNC(=O)NNC(=O)[*:1])c1ccc(F)cc1F
CC(C)COC(=O)N1CCC(C(=O)NCC(C)(C)c2cccc(Cl)c2)CC1 CC(C)[*:1] CC(C)(CNC(=O)C1CCN(CC1)C(=O)OC[*:1])c1cccc(Cl)c1
CC(C)COC(=O)N1CCC(C(=O)NCC(C)(C)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC(C)COC(=O)N1CCC(CC1)C(=O)NCC(C)(C)[*:1]
CC(C)COC(=O)N1CCC(C(=O)NCC(C)(C)c2cccc(Cl)c2)CC1 CC(C)C[*:1] CC(C)(CNC(=O)C1CCN(CC1)C(=O)O[*:1])c1cccc(Cl)c1
Cc1cc(N2CCCC[C@H]2CC[NH3+])ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CCCC[C@H]1CC[NH3+]
Cc1cc(N2CCCC[C@H]2CC[NH3+])ncc1[N+](=O)[O-] [NH3+]CC[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCCC[C@@H]1[*:1]
CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nc2ccccc21 COC(=O)[*:1] CCn1c(nc2ccccc21)SCC(=O)Nc1cccc(c1)[*:1]
N#Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)sc2c1CCC2 Clc1ccc(cc1)[*:1] N#Cc1c(NC(=O)c2ccc(cc2)NS(=O)(=O)[*:1])sc2CCCc21
N#Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)sc2c1CCC2 N#Cc1c(sc2CCCc21)[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc(Cl)cc1
CC[S@](=O)[C@@H]1CCCC[C@@H]1Nc1cc(Cl)nc(N)n1 CC[S@](=O)[*:1] Nc1nc(Cl)cc(n1)N[C@H]1CCCC[C@H]1[*:1]
CC(=O)N1CCC(C(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])O2)CC1 O=C([O-])[*:1] CC(=O)N1CCC(CC1)C(=O)NC[C@@H]1CC[C@@H](O1)[*:1]
CC1=CC(C)=NC(=O)[C@H]1CNC(=O)c1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CC1=CC(C)=NC(=O)[C@H]1CNC(=O)c1ccc(cc1)NC(=O)[*:1]
CC1=CC(C)=NC(=O)[C@H]1CNC(=O)c1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 CC1=CC(C)=NC(=O)[C@H]1CNC(=O)c1ccc(cc1)[*:1]
CC(C)(C(=O)NC[C@](C)(O)c1ccco1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C(=O)NC[C@](C)(O)c1ccco1)[*:1]
CC(C)(C(=O)NC[C@](C)(O)c1ccco1)c1ccc(Cl)cc1 c1coc(c1)[*:1] CC(C)(C(=O)NC[C@](C)(O)[*:1])c1ccc(Cl)cc1
Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C Cc1cc(F)ccc1[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)N[*:1])c1cccs1
Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C c1csc(c1)[*:1] Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]([NH+](C)C)[*:1]
Cn1c[nH+]c2c1CCN(CC(=O)NCC1(c3ccccc3)CCC1)C2 c1ccc(cc1)[*:1] Cn1c[nH+]c2CN(CCc21)CC(=O)NCC1(CCC1)[*:1]
C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(C(=O)c2ccc(cc2)C[NH+](C)C)[C@@H](C)CN1C(=O)O[*:1]
CN(C[C@@H](O)C1CC1)C(=O)CN(C)C(=O)c1ccc(Br)o1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)CN(C)C(=O)c1ccc(Br)o1
CN(C[C@@H](O)C1CC1)C(=O)CN(C)C(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] CN(C[C@@H](O)C1CC1)C(=O)CN(C)C(=O)[*:1]
CN(C[C@@H](O)C1CC1)C(=O)CN(C)C(=O)c1ccc(Br)o1 O[C@@H](C1CC1)[*:1] CN(C[*:1])C(=O)CN(C)C(=O)c1ccc(Br)o1
CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@@H]1CCCCC1=O CC(C)(C)[*:1] O=C1CCCC[C@H]1[C@@H]1CCCCCN1C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCCCC[C@H]1[C@@H]1CCCCC1=O O=C1CCCC[C@H]1[*:1] CC(C)(C)OC(=O)N1CCCCC[C@@H]1[*:1]
CC(=O)Nc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCC2)cc1 CC(=O)N[*:1] O=C(NCC1(CCC1)c1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C(=O)NCC1(CCC1)[*:1]
O=C(NCC1(O)CCOCC1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 OC1(CCOCC1)[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
O=C(CCc1nc(C2CC2)no1)N1CCC(c2ccc(F)cc2)CC1 C1CC1c1noc(n1)[*:1] O=C(CC[*:1])N1CCC(CC1)c1ccc(F)cc1
O=C(CCc1nc(C2CC2)no1)N1CCC(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCc1nc(no1)C1CC1)N1CCC(CC1)[*:1]
O=C(CCc1nc(C2CC2)no1)N1CCC(c2ccc(F)cc2)CC1 C1CC1[*:1] O=C(CCc1nc(no1)[*:1])N1CCC(CC1)c1ccc(F)cc1
CCOC[C@H]([NH3+])[C@H]1COc2ccccc2C1 CCOC[*:1] [NH3+][C@H]([C@H]1COc2ccccc2C1)[*:1]
CCOC[C@H]([NH3+])[C@H]1COc2ccccc2C1 CCO[*:1] [NH3+][C@@H](C[*:1])[C@H]1COc2ccccc2C1
Cc1ccc(F)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(F)c(c1)NC(=O)[C@@H]1CCCC[C@H]1[*:1]
CCNc1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc(C)[nH+]1 Clc1ccc(cc1)[*:1] CCNc1nc(cc(C)[nH+]1)N1CCN(CC1)C(=O)N[*:1]
CCNc1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc(C)[nH+]1 CCN[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCN(CC1)C(=O)Nc1ccc(Cl)cc1
Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CCSC3)CC2)c1 C1C[C@H](CS1)[*:1] Cc1cccc(c1)N1CC[NH+](CCC(=O)N[*:1])CC1
Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CCSC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])N[C@@H]1CCSC1
CC[C@@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1ccc2c(c1)CCO2 C[S@](=O)[*:1] CC[C@@H]([NH2+]CC[C@@H](C)[*:1])c1ccc2OCCc2c1
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] O=C(Cc1ccccc1)Nc1ccc(cc1)C(=O)NN=C[*:1]
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)N/N=C/c1cccc(Br)c1
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1 c1ccc(cc1)C[*:1] O=C(N/N=C/c1cccc(Br)c1)c1ccc(cc1)NC(=O)[*:1]
CCC[C@@H]1CN(C(=O)Nc2cccc(Br)c2)CCO1 CCC[*:1] O=C(Nc1cccc(Br)c1)N1CCO[C@@H](C1)[*:1]
N#C[C@@H](C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1nnc2n1CCCCC2 O=[N+]([O-])[*:1] N#C[C@@H](C(=O)[C@H]1C[C@H]1[*:1])c1nnc2CCCCCn21
CCc1ccc(C(=O)NCc2cccs2)s1 c1csc(c1)[*:1] CCc1ccc(s1)C(=O)NC[*:1]
COCCn1nc(C)c(NC(=O)N2[C@@H](C)CC[C@@H]2C)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)N1[C@@H](C)CC[C@@H]1C)[*:1]
COCCn1nc(C)c(NC(=O)N2[C@@H](C)CC[C@@H]2C)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)N1[C@@H](C)CC[C@@H]1C
CCN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[*:1]
CCN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(C)cc1C O=[N+]([O-])[*:1] CCN(C(=O)c1cc(F)c(F)cc1[*:1])c1ccc(C)cc1C
COc1cccc(-c2nnn(CC(=O)N3CCCC3)n2)c1 O=C(N1CCCC1)[*:1] COc1cccc(c1)-c1nnn(C[*:1])n1
O=C(C[C@H]1COCCN1Cc1ccsc1)N1CCC(F)(F)CC1 c1cc(cs1)[*:1] O=C(C[C@H]1COCCN1C[*:1])N1CCC(F)(F)CC1
O=C(C[C@H]1COCCN1Cc1ccsc1)N1CCC(F)(F)CC1 c1cc(cs1)C[*:1] O=C(C[C@H]1COCCN1[*:1])N1CCC(F)(F)CC1
Cc1ccccc1C[C@@H](C)NC(=O)COc1ccc(C(N)=O)cc1 Cc1ccccc1[*:1] C[C@H](C[*:1])NC(=O)COc1ccc(cc1)C(N)=O
Cc1ccccc1C[C@@H](C)NC(=O)COc1ccc(C(N)=O)cc1 Cc1ccccc1C[*:1] C[C@@H](NC(=O)COc1ccc(cc1)C(N)=O)[*:1]
Cc1ccccc1C[C@@H](C)NC(=O)COc1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1ccccc1C[C@@H](C)NC(=O)COc1ccc(cc1)[*:1]
Cc1cc(C)cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 c1cc(cs1)C[*:1] Cc1cc(C)cc(c1)NC(=O)N1CC[NH+](CC1)[*:1]
Cc1cc(C)cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 c1cc(cs1)[*:1] Cc1cc(C)cc(c1)NC(=O)N1CC[NH+](CC1)C[*:1]
CCC[C@@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)c1ccccn1 c1ccc(nc1)[*:1] CCC[C@@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)[*:1]
CCC[C@@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)c1ccccn1 CCC[*:1] CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](c1ccccn1)[*:1]
CCC[C@@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)c1ccccn1 CC(C)[*:1] CCC[C@@H]([NH2+]C[C@H]1CCCO[C@H]1[*:1])c1ccccn1
Cc1[nH]c(=O)[nH]c(=O)c1Cc1nnc(SCc2cccnc2)o1 c1cncc(c1)C[*:1] Cc1[nH]c(=O)[nH]c(=O)c1Cc1nnc(o1)S[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1Cc1nnc(SCc2cccnc2)o1 c1cncc(c1)[*:1] Cc1[nH]c(=O)[nH]c(=O)c1Cc1nnc(o1)SC[*:1]
Cc1nc(Cc2nnc(SCc3ncc(C(C)(C)C)o3)o2)cs1 Cc1nc(cs1)[*:1] CC(C)(C)c1cnc(CSc2nnc(C[*:1])o2)o1
Cc1nc(Cc2nnc(SCc3ncc(C(C)(C)C)o3)o2)cs1 CC(C)(C)[*:1] Cc1nc(cs1)Cc1nnc(o1)SCc1ncc(o1)[*:1]
Cc1nc(Cc2nnc(SCc3ncc(C(C)(C)C)o3)o2)cs1 Cc1nc(cs1)C[*:1] CC(C)(C)c1cnc(CSc2nnc(o2)[*:1])o1
CC1=C2C(=O)N=C(SCC(=O)NNC(=O)c3cccs3)N=C2S[C@H]1C c1csc(c1)[*:1] CC1=C2C(=O)N=C(N=C2S[C@H]1C)SCC(=O)NNC(=O)[*:1]
CCc1nc2ccccc2c(C(=O)N[C@@H](C)CC)c1C CC[C@H](C)[*:1] CCc1nc2ccccc2c(C(=O)N[*:1])c1C
CN(C(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1)c1ccccc1 C1CCC(CC1)[*:1] CN(C(=O)c1ccccc1SCC(=O)N(C)[*:1])c1ccccc1
CN(C(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CSc1ccccc1C(=O)N(C)[*:1])C1CCCCC1
CN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 CN(CCO)C(=O)[*:1] O=C1NCCN(Cc2ccc(F)c(F)c2)[C@H]1C[*:1]
CN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CN(CCO)C(=O)C[C@H]1C(=O)NCCN1C[*:1]
CN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 OCC[*:1] CN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)[*:1]
CN(CCO)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 CN(CCO)C(=O)C[*:1] O=C1NCCN(Cc2ccc(F)c(F)c2)[C@H]1[*:1]
CCN(Cc1ccccc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] CCN(C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])[*:1]
CCN(Cc1ccccc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCN(Cc1ccccc1)C(=O)/C=C/c1cccc(c1)[*:1]
CCN(Cc1ccccc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
CC(C)[C@@H]([NH2+]Cc1cnc(Cl)s1)c1ccccc1 Clc1ncc(s1)[*:1] CC(C)[C@@H]([NH2+]C[*:1])c1ccccc1
CC(C)[C@@H]([NH2+]Cc1cnc(Cl)s1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H]([NH2+]Cc1cnc(Cl)s1)[*:1]
CC(C)[C@@H]([NH2+]Cc1cnc(Cl)s1)c1ccccc1 CC(C)[*:1] Clc1ncc(C[NH2+][C@@H](c2ccccc2)[*:1])s1
C[C@H](NC(=O)CCc1cccc(F)c1)c1ccc(-c2cncnc2)cc1 Fc1cccc(c1)C[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1cncnc1
C[C@H](NC(=O)CCc1cccc(F)c1)c1ccc(-c2cncnc2)cc1 Fc1cccc(c1)[*:1] C[C@H](NC(=O)CC[*:1])c1ccc(cc1)-c1cncnc1
C[C@H](NC(=O)CCc1cccc(F)c1)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@H](NC(=O)CCc1cccc(F)c1)c1ccc(cc1)[*:1]
C[C@@H](O)CCNC(=O)c1coc(COc2ccc3ncccc3c2)n1 C[C@@H](O)CCNC(=O)[*:1] c1cnc2ccc(cc2c1)OCc1nc(co1)[*:1]
CC(C)c1noc([C@H]2CCC[NH2+]2)n1 CC(C)[*:1] C1C[NH2+][C@H](C1)c1nc(no1)[*:1]
O=C(NC1CC1)[C@H]1Cc2ccccc2S1 C1CC1[*:1] O=C(N[*:1])[C@H]1Cc2ccccc2S1
CC(C)Sc1nnc(NC(=O)c2ccccc2F)s1 CC(C)S[*:1] O=C(Nc1nnc(s1)[*:1])c1ccccc1F
CC(C)Sc1nnc(NC(=O)c2ccccc2F)s1 CC(C)[*:1] O=C(Nc1nnc(S[*:1])s1)c1ccccc1F
O=C(N[C@@H]1CCc2c(O)cccc21)N1CCC[C@@H](N2CCCC2=O)C1 O=C1CCCN1[*:1] O=C(N[C@@H]1CCc2c(O)cccc21)N1CCC[C@@H](C1)[*:1]
CCCN(CCO)c1ncc(Br)cc1C CCC[*:1] Cc1cc(Br)cnc1N(CCO)[*:1]
CCCN(CCO)c1ncc(Br)cc1C OCC[*:1] CCCN(c1ncc(Br)cc1C)[*:1]
CCOC(=O)c1c(NC(=O)CSc2ncnc3sccc23)sc2c1CCCCC2 CCOC(=O)[*:1] O=C(CSc1ncnc2sccc12)Nc1sc2CCCCCc2c1[*:1]
CCOC(=O)c1c(NC(=O)CSc2ncnc3sccc23)sc2c1CCCCC2 c1nc(c2ccsc2n1)[*:1] CCOC(=O)c1c(NC(=O)CS[*:1])sc2CCCCCc21
Cc1ccnc2c1nc(CCCl)n2CC(=O)NC(C)C CC(C)[*:1] Cc1ccnc2c1nc(CCCl)n2CC(=O)N[*:1]
Cc1ccnc2c1nc(CCCl)n2CC(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1ccnc2c1nc(CCCl)n2C[*:1]
Cc1ccnc2c1nc(CCCl)n2CC(=O)NC(C)C ClCC[*:1] Cc1ccnc2c1nc(n2CC(=O)NC(C)C)[*:1]
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1OC COc1ccc(cc1OC)[*:1] O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@@]1(O)CC(=O)[*:1]
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)C[C@@]1(O)C(=O)N(C[*:1])c2ccc(Cl)cc21
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)C(=O)C[C@@]1(O)C(=O)N(c2ccc(Cl)cc21)[*:1]
COc1ccc(C(=O)CSc2nnc(C)n2-c2ccc(C)cc2)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(C(=O)CSc2nnc(C)n2[*:1])c(c1)OC
O=C(NCCNC(=O)c1cccs1)NC[C@H]1CCCN(c2ncccn2)C1 O=C(N[*:1])c1cccs1 O=C(NCC[*:1])NC[C@H]1CCCN(C1)c1ncccn1
O=C(NCCNC(=O)c1cccs1)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(NCCNC(=O)c1cccs1)NC[C@H]1CCCN(C1)[*:1]
O=C(NCCNC(=O)c1cccs1)NC[C@H]1CCCN(c2ncccn2)C1 O=C(NC[*:1])c1cccs1 O=C(NC[C@H]1CCCN(C1)c1ncccn1)NC[*:1]
O=C(NCCNC(=O)c1cccs1)NC[C@H]1CCCN(c2ncccn2)C1 c1csc(c1)[*:1] O=C(NCCNC(=O)[*:1])NC[C@H]1CCCN(C1)c1ncccn1
Cc1cnc(Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c(c1)[*:1]
Cc1cnc(Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c([N+](=O)[O-])c1 C1CO[C@H](C1)CN[*:1] Cc1cnc(Nc2ccc(c(F)c2)[*:1])c(c1)[N+](=O)[O-]
Cc1cnc(Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c([N+](=O)[O-])c1 C1CO[C@H](C1)[*:1] Cc1cnc(Nc2ccc(NC[*:1])c(F)c2)c(c1)[N+](=O)[O-]
O=C(NCCc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 Clc1cccc(c1)C[*:1] O=C(NC[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
O=C(NCCc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 Clc1cccc(c1)CC[*:1] O=C(N[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
O=C(NCCc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 O=c1[nH]c2ccc(cc2[nH]1)[*:1] O=C(NCCc1cccc(Cl)c1)c1ccc(cc1)NS(=O)(=O)[*:1]
O=C(NCCc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 Clc1cccc(c1)[*:1] O=C(NCC[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
CCc1ccc(C(=O)NC(C)(C)/C(N)=N/O)o1 N/C(=N\O)[*:1] CCc1ccc(o1)C(=O)NC(C)(C)[*:1]
CCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)N(C(C)=O)c1c(C)cc(C)cc1-2 CCCC[*:1] CC(=O)N1c2c(C)cc(C)cc2-c2nnc(nc2O[C@H]1c1cccnc1)S[*:1]
CCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)N(C(C)=O)c1c(C)cc(C)cc1-2 CCC[*:1] CC(=O)N1c2c(C)cc(C)cc2-c2nnc(nc2O[C@H]1c1cccnc1)SC[*:1]
CCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)N(C(C)=O)c1c(C)cc(C)cc1-2 CCCCS[*:1] CC(=O)N1c2c(C)cc(C)cc2-c2nnc(nc2O[C@H]1c1cccnc1)[*:1]
CCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)N(C(C)=O)c1c(C)cc(C)cc1-2 c1cncc(c1)[*:1] CCCCSc1nnc2-c3cc(C)cc(C)c3N(C(C)=O)[C@H](Oc2n1)[*:1]
Cc1ccc(CN(C)C(=O)CSc2nnc(Cc3cccc4ccccc34)n2N)c(C)c1 c1ccc2c(cccc2c1)[*:1] Cc1ccc(CN(C)C(=O)CSc2nnc(C[*:1])n2N)c(C)c1
Cc1ccc(CN(C)C(=O)CSc2nnc(Cc3cccc4ccccc34)n2N)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN(C[*:1])C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N
Cc1ccc(CN(C)C(=O)CSc2nnc(Cc3cccc4ccccc34)n2N)c(C)c1 Cc1ccc(C[*:1])c(C)c1 CN(C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)[*:1]
CCOC(=O)[C@](O)(CC)C1CCSCC1 CCOC(=O)[*:1] CC[C@@](O)(C1CCSCC1)[*:1]
CCN(CCS(C)(=O)=O)CC1=Cc2cc(Cl)ccc2OC1 CS(=O)(=O)[*:1] CCN(CC[*:1])CC1=Cc2cc(Cl)ccc2OC1
CCN(CCS(C)(=O)=O)CC1=Cc2cc(Cl)ccc2OC1 CS(=O)(=O)CC[*:1] CCN(CC1=Cc2cc(Cl)ccc2OC1)[*:1]
CCN(CCS(C)(=O)=O)CC1=Cc2cc(Cl)ccc2OC1 CS(=O)(=O)C[*:1] CCN(CC1=Cc2cc(Cl)ccc2OC1)C[*:1]
O=C(Nc1cccc(-c2nnco2)c1)N(C[C@@H]1CCOC1)C1CC1 c1nnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])N(C[C@@H]1CCOC1)C1CC1
O=C(Nc1cccc(-c2nnco2)c1)N(C[C@@H]1CCOC1)C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)-c1nnco1)N(C[C@@H]1CCOC1)[*:1]
O=C(NCc1ccc(C(=O)[O-])o1)c1cccnc1 c1cncc(c1)[*:1] O=C([O-])c1ccc(CNC(=O)[*:1])o1
O=C(NCc1ccc(C(=O)[O-])o1)c1cccnc1 O=C([O-])[*:1] O=C(NCc1ccc(o1)[*:1])c1cccnc1
CCN(CC)C(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 CCN(CC)C(=O)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccc(Br)cc1
CCN(CC)C(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccc(cc1)OCC(=O)N[*:1]
CCOc1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1OC(F)F FC(F)[*:1] CCOc1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1O[*:1]
CCOc1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1OC(F)F CCO[*:1] FC(F)Oc1c(cccc1[*:1])CN1CCCC[C@@H]1c1ncc[nH]1
CCOc1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1OC(F)F c1c[nH]c(n1)[*:1] CCOc1cccc(CN2CCCC[C@H]2[*:1])c1OC(F)F
CCOc1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1OC(F)F FC(F)O[*:1] CCOc1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1[*:1]
CCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(C)cc1 CCC[*:1] COc1ccccc1[C@@H]1C[C@H](c2ccc(C)cc2)N(C(=O)[*:1])c2ncnn21
CCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(C)cc1 COc1ccccc1[*:1] CCCC(=O)N1c2ncnn2[C@H](C[C@@H]1c1ccc(C)cc1)[*:1]
CCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCC(=O)N1c2ncnn2[C@@H](C[C@H]1[*:1])c1ccccc1OC
CC[C@@H](C)NC(=O)c1cc[nH+]cc1[O-] CC[C@@H](C)[*:1] O=C(N[*:1])c1cc[nH+]cc1[O-]
C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(-c2cccs2)[nH]n1 c1csc(c1)[*:1] C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc([nH]n1)[*:1]
C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(-c2cccs2)[nH]n1 c1coc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1cc([nH]n1)-c1cccs1
C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(-c2cccs2)[nH]n1 c1coc(c1)C[*:1] C[NH+](C)CCN(C(=O)c1cc([nH]n1)-c1cccs1)[*:1]
Cc1ccc(C)c2c(C)c(C(=O)N[C@@H](c3ccccc3)c3ccncc3)oc12 c1cc(ccn1)[*:1] Cc1ccc(C)c2c(C)c(oc12)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(C)c2c(C)c(C(=O)N[C@@H](c3ccccc3)c3ccncc3)oc12 c1ccc(cc1)[*:1] Cc1ccc(C)c2c(C)c(oc12)C(=O)N[C@@H](c1ccncc1)[*:1]
CC(C)COc1cncc(NC[C@H]2CCC(=O)N2)n1 O=C1CC[C@@H](N1)[*:1] CC(C)COc1cncc(n1)NC[*:1]
CC(C)COc1cncc(NC[C@H]2CCC(=O)N2)n1 CC(C)C[*:1] O=C1CC[C@H](CNc2cncc(n2)O[*:1])N1
CC(C)COc1cncc(NC[C@H]2CCC(=O)N2)n1 CC(C)CO[*:1] O=C1CC[C@H](CNc2cncc(n2)[*:1])N1
CC(C)COc1cncc(NC[C@H]2CCC(=O)N2)n1 CC(C)[*:1] O=C1CC[C@H](CNc2cncc(n2)OC[*:1])N1
COCCCN(C(=O)N[C@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 C[C@H]1CCCC[C@@H]1[*:1] COCCCN(C(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)N[C@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 COCC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)N[C@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 COC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)N(CC[*:1])[C@@H]1CCS(=O)(=O)C1
COCCCN(C(=O)N[C@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] COCCCN(C(=O)N[C@H]1CCCC[C@@H]1C)[*:1]
COCCCN(C(=O)N[C@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 COCCC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCOC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F Fc1ccc(cc1)[*:1] CCOC(=O)c1cnn(c1C(F)(F)F)[*:1]
CCOC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F FC(F)(F)[*:1] CCOC(=O)c1cnn(-c2ccc(F)cc2)c1[*:1]
CCOC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F CCOC(=O)[*:1] Fc1ccc(cc1)-n1ncc(c1C(F)(F)F)[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CSc1ncn[nH]1 c1n[nH]c(n1)[*:1] CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CS[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CSc1ncn[nH]1 c1ccc(cc1)[*:1] CC[C@@H]([C@@H]1CCCN1C(=O)CSc1ncn[nH]1)[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CSc1ncn[nH]1 c1n[nH]c(n1)SC[*:1] CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CSc1ncn[nH]1 c1n[nH]c(n1)S[*:1] CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[*:1]
CCCn1c(C[NH+](C)C2CCC(OC)CC2)nc2ccccc21 CCC[*:1] COC1CCC(CC1)[NH+](C)Cc1nc2ccccc2n1[*:1]
O=C([O-])c1ccccc1/N=C1\NS(=O)(=O)c2ccccc21 O=C([O-])[*:1] O=S1(=O)N/C(=N\c2ccccc2[*:1])c2ccccc21
CCC(=O)c1ccn(Cc2ccno2)c1 c1cc(on1)[*:1] CCC(=O)c1ccn(c1)C[*:1]
CCC(=O)c1ccn(Cc2ccno2)c1 CCC(=O)[*:1] c1cc(Cn2ccc(c2)[*:1])on1
O=C(NCCc1cccc(O)c1)NC[C@@H]1CCCN(c2ncccn2)C1 Oc1cccc(c1)[*:1] O=C(NCC[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
O=C(NCCc1cccc(O)c1)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(NCCc1cccc(O)c1)NC[C@@H]1CCCN(C1)[*:1]
O=C(NCCc1cccc(O)c1)NC[C@@H]1CCCN(c2ncccn2)C1 Oc1cccc(c1)C[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)NC[*:1]
CC[C@H](Sc1ccccc1)c1ccoc1 c1cc(co1)[*:1] CC[C@H](Sc1ccccc1)[*:1]
CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2nc(N[*:1])[nH]c(=O)c21
CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 CCOc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])c2c(nc(Nc3ccccc3)[nH]c2=O)N1
CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 CCO[*:1] O=C1C[C@H](C(=O)Nc2ccc(cc2)[*:1])c2c(nc(Nc3ccccc3)[nH]c2=O)N1
CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 c1ccc(cc1)N[*:1] CCOc1ccc(cc1)NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
C[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCc2ccccc21 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)NC[*:1])C(=O)N1CCc2ccccc21
C[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCc2ccccc21 Fc1ccc(cc1)C[*:1] C[C@@H](NC(=O)N[*:1])C(=O)N1CCc2ccccc21
Cc1c(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)oc2c1C(=O)CC(C)(C)C2 FC(F)(F)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
O=C(NCc1cccnc1-n1cccn1)[C@@H]1CCCN(C(=O)c2ccco2)C1 c1cnn(c1)[*:1] O=C(NCc1cccnc1[*:1])[C@@H]1CCCN(C1)C(=O)c1ccco1
O=C(NCc1cccnc1-n1cccn1)[C@@H]1CCCN(C(=O)c2ccco2)C1 c1coc(c1)[*:1] O=C(NCc1cccnc1-n1cccn1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1O[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1[*:1]
Cc1noc(C)c1CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C Cc1noc(C)c1[*:1] C[C@@H]1CCC[C@@H](C)C12NC(=O)N(C[*:1])C2=O
COc1ccc(NC(=O)COC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1nc2sc(C(=O)OCC(=O)N[*:1])c(C)c2c(=O)[nH]1
CC(=O)OCC[C@@H](C)OC(C)=O CC(=O)O[*:1] CC(=O)O[C@H](C)CC[*:1]
CC(=O)OCC[C@@H](C)OC(C)=O CC(=O)O[*:1] CC(=O)OCC[C@@H](C)[*:1]
Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CC[C@H](C)[C@@H](O)C2)c1 Cc1cc(C)cc(c1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)CSc1nccn1[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1ccccc1NC(=O)NC(C)C Cc1noc(C)c1[*:1] CC(C)NC(=O)Nc1ccccc1C(=O)N[C@H](C)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1ccccc1NC(=O)NC(C)C CC(C)NC(=O)N[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)c1ccccc1[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)c1ccccc1NC(=O)NC(C)C CC(C)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)c1ccccc1NC(=O)N[*:1]
CC[C@H](CC1CC1)Nc1ccc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] CC[C@H](CC1CC1)Nc1ccc(c(N)n1)[*:1]
CC[C@H](CC1CC1)Nc1ccc([N+](=O)[O-])c(N)n1 C1CC1[*:1] CC[C@H](C[*:1])Nc1ccc(c(N)n1)[N+](=O)[O-]
CC[C@H](CC1CC1)Nc1ccc([N+](=O)[O-])c(N)n1 C1CC1C[*:1] CC[C@H](Nc1ccc(c(N)n1)[N+](=O)[O-])[*:1]
Cn1c(=O)[nH]c2cc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)ccc21 Clc1cccc(c1Cl)[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)N[C@@H](C#N)[*:1]
CC/[NH+]=C(/NCc1ncnn1C)N[C@H]1CCCN(c2cnn(C)c2)C1 Cn1ncnc1[*:1] CC/[NH+]=C(/NC[*:1])N[C@H]1CCCN(C1)c1cnn(C)c1
CC/[NH+]=C(/NCc1ncnn1C)N[C@H]1CCCN(c2cnn(C)c2)C1 Cn1cc(cn1)[*:1] CC/[NH+]=C(/NCc1ncnn1C)N[C@H]1CCCN(C1)[*:1]
CC/[NH+]=C(/NCc1ncnn1C)N[C@H]1CCCN(c2cnn(C)c2)C1 Cn1ncnc1C[*:1] CC/[NH+]=C(\N[C@H]1CCCN(C1)c1cnn(C)c1)N[*:1]
Cc1ccc(Cl)cc1NC(=O)N1CCN(CCn2c(C(C)C)nc3cccnc32)CC1 Cc1ccc(Cl)cc1[*:1] CC(C)c1nc2cccnc2n1CCN1CCN(CC1)C(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)N1CCN(CCn2c(C(C)C)nc3cccnc32)CC1 CC(C)[*:1] Cc1ccc(Cl)cc1NC(=O)N1CCN(CC1)CCn1c(nc2cccnc21)[*:1]
COc1ccc(-c2cnc(C[S@](=O)[C@@H](C)c3ccccc3)o2)cc1 COc1ccc(cc1)[*:1] C[C@@H](c1ccccc1)[S@@](=O)Cc1ncc(o1)[*:1]
COc1ccc(-c2cnc(C[S@](=O)[C@@H](C)c3ccccc3)o2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1cnc(C[S@](=O)[C@@H](C)[*:1])o1
COc1ccc(-c2cnc(C[S@](=O)[C@@H](C)c3ccccc3)o2)cc1 C[C@@H](c1ccccc1)[*:1] COc1ccc(cc1)-c1cnc(C[S@](=O)[*:1])o1
COc1ccc([C@@H](C)[NH2+]CC2(C(C)C)CC2)cc1NC(C)=O CC(C)C1(CC1)[*:1] COc1ccc(cc1NC(C)=O)[C@@H](C)[NH2+]C[*:1]
COc1ccc([C@@H](C)[NH2+]CC2(C(C)C)CC2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])[C@@H](C)[NH2+]CC1(CC1)C(C)C
COc1ccc([C@@H](C)[NH2+]CC2(C(C)C)CC2)cc1NC(C)=O CC(C)[*:1] COc1ccc(cc1NC(C)=O)[C@@H](C)[NH2+]CC1(CC1)[*:1]
O=C(NCCn1cccc1)N[C@@H](c1ccc(F)cc1)c1cccs1 c1ccn(c1)[*:1] O=C(NCC[*:1])N[C@@H](c1ccc(F)cc1)c1cccs1
O=C(NCCn1cccc1)N[C@@H](c1ccc(F)cc1)c1cccs1 c1ccn(c1)C[*:1] O=C(NC[*:1])N[C@@H](c1ccc(F)cc1)c1cccs1
O=C(NCCn1cccc1)N[C@@H](c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(NCCn1cccc1)N[C@@H](c1cccs1)[*:1]
O=C(NCCn1cccc1)N[C@@H](c1ccc(F)cc1)c1cccs1 c1ccn(c1)CC[*:1] O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)N[*:1]
O=C(NCCn1cccc1)N[C@@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] O=C(NCCn1cccc1)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)(C)[C@@H]1CCCN(c2cc(-n3ccnc3)ncn2)CC1 c1cn(cn1)[*:1] CC(C)(C)[C@@H]1CCCN(CC1)c1cc(ncn1)[*:1]
CC(C)(C)[C@@H]1CCCN(c2cc(-n3ccnc3)ncn2)CC1 CC(C)(C)[*:1] c1cn(cn1)-c1cc(ncn1)N1CCC[C@H](CC1)[*:1]
C[C@@](O)(CC1(C(=O)[O-])CC1)c1ccccc1 O=C([O-])[*:1] C[C@@](O)(CC1(CC1)[*:1])c1ccccc1
Cc1ccc2nc3nc(NCCc4ccccc4)c(C(N)=O)cc3c(=O)n2c1 c1ccc(cc1)[*:1] Cc1ccc2nc3nc(NCC[*:1])c(cc3c(=O)n2c1)C(N)=O
Cc1ccc2nc3nc(NCCc4ccccc4)c(C(N)=O)cc3c(=O)n2c1 c1ccc(cc1)CCN[*:1] Cc1ccc2nc3nc(c(cc3c(=O)n2c1)C(N)=O)[*:1]
Cc1ccc2nc3nc(NCCc4ccccc4)c(C(N)=O)cc3c(=O)n2c1 NC(=O)[*:1] Cc1ccc2nc3nc(NCCc4ccccc4)c(cc3c(=O)n2c1)[*:1]
Cc1ccc2nc3nc(NCCc4ccccc4)c(C(N)=O)cc3c(=O)n2c1 c1ccc(cc1)C[*:1] Cc1ccc2nc3nc(NC[*:1])c(cc3c(=O)n2c1)C(N)=O
Cc1ccc2nc3nc(NCCc4ccccc4)c(C(N)=O)cc3c(=O)n2c1 c1ccc(cc1)CC[*:1] Cc1ccc2nc3nc(N[*:1])c(cc3c(=O)n2c1)C(N)=O
CC[NH2+][C@@H](c1ccccc1)[C@@H](C)Sc1ccncc1 c1ccc(cc1)[*:1] CC[NH2+][C@@H]([C@@H](C)Sc1ccncc1)[*:1]
CC[NH2+][C@@H](c1ccccc1)[C@@H](C)Sc1ccncc1 c1cc(ccn1)[*:1] CC[NH2+][C@@H](c1ccccc1)[C@@H](C)S[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 CC(C)(C)[*:1] N#Cc1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)c1 CC(C)CO[*:1] Cc1cccc(c1)C(=O)NNC(=O)c1ccc(c(Br)c1)[*:1]
Cc1cccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)c1 CC(C)C[*:1] Cc1cccc(c1)C(=O)NNC(=O)c1ccc(O[*:1])c(Br)c1
Cc1cccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)NNC(=O)c1ccc(OC[*:1])c(Br)c1
Cc1cccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)c1 Cc1cccc(c1)[*:1] CC(C)COc1ccc(cc1Br)C(=O)NNC(=O)[*:1]
Cn1c(=O)c2c(ncn2CC(=O)N(CCc2ccccc2)Cc2cccs2)n(C)c1=O c1csc(c1)[*:1] Cn1c(=O)c2c(ncn2CC(=O)N(CCc2ccccc2)C[*:1])n(C)c1=O
Cn1c(=O)c2c(ncn2CC(=O)N(CCc2ccccc2)Cc2cccs2)n(C)c1=O c1ccc(cc1)CC[*:1] Cn1c(=O)c2c(ncn2CC(=O)N(Cc2cccs2)[*:1])n(C)c1=O
Cn1c(=O)c2c(ncn2CC(=O)N(CCc2ccccc2)Cc2cccs2)n(C)c1=O c1ccc(cc1)C[*:1] Cn1c(=O)c2c(ncn2CC(=O)N(Cc2cccs2)C[*:1])n(C)c1=O
Cn1c(=O)c2c(ncn2CC(=O)N(CCc2ccccc2)Cc2cccs2)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(ncn2CC(=O)N(CC[*:1])Cc2cccs2)n(C)c1=O
Cn1c(=O)c2c(ncn2CC(=O)N(CCc2ccccc2)Cc2cccs2)n(C)c1=O c1csc(c1)C[*:1] Cn1c(=O)c2c(ncn2CC(=O)N(CCc2ccccc2)[*:1])n(C)c1=O
CCOc1ccc([C@H]2CCCN2C(=O)NCC(C)(C)C[C@H](C)O)cc1 CCO[*:1] C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)NCC(C)(C)C[C@H](C)O)cc1 C[C@H](O)[*:1] CCOc1ccc(cc1)[C@H]1CCCN1C(=O)NCC(C)(C)C[*:1]
C[C@@H]1CCCCN1C(=O)NCc1csc(C(C)(C)C)n1 CC(C)(C)[*:1] C[C@@H]1CCCCN1C(=O)NCc1csc(n1)[*:1]
CCCCN(C)[C@]1(C[NH3+])CSCCC1(C)C CCC[*:1] CN(C[*:1])[C@]1(C[NH3+])CSCCC1(C)C
CCCCN(C)[C@]1(C[NH3+])CSCCC1(C)C CCCC[*:1] CN([C@]1(C[NH3+])CSCCC1(C)C)[*:1]
COCCNC(=O)C1CCN(C(=O)c2nn(C)c3c2CN(C(=O)C(C)C)CC3)CC1 CC(C)[*:1] COCCNC(=O)C1CCN(CC1)C(=O)c1nn(C)c2CCN(Cc12)C(=O)[*:1]
COCCNC(=O)C1CCN(C(=O)c2nn(C)c3c2CN(C(=O)C(C)C)CC3)CC1 COCCNC(=O)[*:1] CC(C)C(=O)N1CCc2c(C1)c(nn2C)C(=O)N1CCC(CC1)[*:1]
COCCNC(=O)C1CCN(C(=O)c2nn(C)c3c2CN(C(=O)C(C)C)CC3)CC1 COC[*:1] CC(C)C(=O)N1CCc2c(C1)c(nn2C)C(=O)N1CCC(CC1)C(=O)NC[*:1]
COCCNC(=O)C1CCN(C(=O)c2nn(C)c3c2CN(C(=O)C(C)C)CC3)CC1 COCC[*:1] CC(C)C(=O)N1CCc2c(C1)c(nn2C)C(=O)N1CCC(CC1)C(=O)N[*:1]
NC(=O)CSCC(=O)NC1(c2cccc(Cl)c2)CC1 NC(=O)CS[*:1] O=C(C[*:1])NC1(CC1)c1cccc(Cl)c1
NC(=O)CSCC(=O)NC1(c2cccc(Cl)c2)CC1 NC(=O)[*:1] O=C(CSC[*:1])NC1(CC1)c1cccc(Cl)c1
NC(=O)CSCC(=O)NC1(c2cccc(Cl)c2)CC1 NC(=O)C[*:1] O=C(CS[*:1])NC1(CC1)c1cccc(Cl)c1
NC(=O)CSCC(=O)NC1(c2cccc(Cl)c2)CC1 NC(=O)CSC[*:1] O=C(NC1(CC1)c1cccc(Cl)c1)[*:1]
CC(=O)N(C)CC(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 CC(=O)N(C)C[*:1] O=C(Nc1ccnn1Cc1cnn(c1)-c1ccccc1)[*:1]
CC(=O)N(C)CC(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)N(C)CC(=O)Nc1ccnn1Cc1cnn(c1)[*:1]
CC(=O)N(C)CC(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 CC(=O)N(C)[*:1] O=C(C[*:1])Nc1ccnn1Cc1cnn(c1)-c1ccccc1
COC(=O)c1ccc(NC(=O)NC[C@@H](O)c2ccco2)cc1 c1coc(c1)[*:1] COC(=O)c1ccc(cc1)NC(=O)NC[C@@H](O)[*:1]
COC(=O)c1ccc(NC(=O)NC[C@@H](O)c2ccco2)cc1 COC(=O)[*:1] O=C(NC[C@@H](O)c1ccco1)Nc1ccc(cc1)[*:1]
O=C([O-])c1cccn2c(=O)c3ccc(Cl)cc3nc12 O=C([O-])[*:1] O=c1c2ccc(Cl)cc2nc2c(cccn12)[*:1]
C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)C[C@H](C)O1 c1cc2ccc(cc2[nH]1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)C1CCN(CC1)C(=O)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)c1ccc(Br)nc1 CC[C@H](C)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(Br)nc1
CC[C@H](C)C[C@H](C)NC(=O)c1ccc(Br)nc1 CC[C@H](C)C[*:1] C[C@H](NC(=O)c1ccc(Br)nc1)[*:1]
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1cnc2ccccc2c1=O O=[N+]([O-])c1cccc(c1)[*:1] C=CCN(C[*:1])C(=O)Cn1cnc2ccccc2c1=O
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1cnc2ccccc2c1=O C=CC[*:1] O=C(Cn1cnc2ccccc2c1=O)N(Cc1cccc(c1)[N+](=O)[O-])[*:1]
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1cnc2ccccc2c1=O O=[N+]([O-])[*:1] C=CCN(Cc1cccc(c1)[*:1])C(=O)Cn1cnc2ccccc2c1=O
C[C@H]1CCC[C@H](O[C@@H](C)C(=O)N2CCOC[C@@H]2C(N)=O)C1 NC(=O)[*:1] C[C@H]1CCC[C@@H](C1)O[C@@H](C)C(=O)N1CCOC[C@H]1[*:1]
C[C@H]1CCC[C@H](O[C@@H](C)C(=O)N2CCOC[C@@H]2C(N)=O)C1 C[C@H]1CCC[C@H](C1)[*:1] C[C@H](O[*:1])C(=O)N1CCOC[C@@H]1C(N)=O
CC(C)[C@@H](Cl)[C@@H](C)c1cccc(F)c1 CC(C)[*:1] C[C@@H](c1cccc(F)c1)[C@H](Cl)[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(F)c(C(N)=O)c1 COc1ccccc1[*:1] NC(=O)c1cc(ccc1F)NC(=O)N1CCC[C@@H]1[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(F)c(C(N)=O)c1 NC(=O)[*:1] COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(F)c(c1)[*:1]
Cc1ccc2ncc(C(=O)Nc3ccnn3C3CCCCC3)n2c1 C1CCC(CC1)[*:1] Cc1ccc2ncc(C(=O)Nc3ccnn3[*:1])n2c1
Cc1cc(S(=O)(=O)N2CCN(CC(=O)NCC3CC3)CC2)c(C)s1 C1CC1C[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1cc(S(=O)(=O)N2CCN(CC(=O)NCC3CC3)CC2)c(C)s1 O=C(NCC1CC1)[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1cc(S(=O)(=O)N2CCN(CC(=O)NCC3CC3)CC2)c(C)s1 C1CC1[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)CC(=O)NC[*:1]
Cc1cc(S(=O)(=O)N2CCN(CC(=O)NCC3CC3)CC2)c(C)s1 O=C(C[*:1])NCC1CC1 Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1cc(S(=O)(=O)N2CCN(CC(=O)NCC3CC3)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])NCC1CC1
CCOC(=O)[C@H](CNC(=O)Nc1cn[nH]c1)c1ccccc1 c1n[nH]cc1[*:1] CCOC(=O)[C@H](CNC(=O)N[*:1])c1ccccc1
CCOC(=O)[C@H](CNC(=O)Nc1cn[nH]c1)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H](CNC(=O)Nc1cn[nH]c1)[*:1]
CCOC(=O)[C@H](CNC(=O)Nc1cn[nH]c1)c1ccccc1 CCOC(=O)[*:1] O=C(NC[C@H](c1ccccc1)[*:1])Nc1cn[nH]c1
Cc1cc(NC(=O)c2ccc(C=O)cc2)n(-c2cccc(Br)c2)n1 O=Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1cccc(Br)c1
Cc1cc(NC(=O)c2ccc(C=O)cc2)n(-c2cccc(Br)c2)n1 Brc1cccc(c1)[*:1] Cc1cc(NC(=O)c2ccc(C=O)cc2)n(n1)[*:1]
COc1ccc(NC(=O)CNC(=O)c2cccc(Br)c2)c(OC)c1 Brc1cccc(c1)[*:1] COc1ccc(NC(=O)CNC(=O)[*:1])c(c1)OC
COc1ccc(OC)c(NC(=O)N[C@@H](C)c2c(C)noc2C)c1 Cc1noc(C)c1[*:1] COc1ccc(OC)c(c1)NC(=O)N[C@@H](C)[*:1]
COC(=O)c1nc2n(n1)[C@H](c1cccc(Cl)c1)C(C(=O)Nc1ccccc1OC)=C(C)N2 COC(=O)[*:1] COc1ccccc1NC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1cccc(Cl)c1)[*:1]
COC(=O)c1nc2n(n1)[C@H](c1cccc(Cl)c1)C(C(=O)Nc1ccccc1OC)=C(C)N2 Clc1cccc(c1)[*:1] COC(=O)c1nc2NC(C)=C(C(=O)Nc3ccccc3OC)[C@@H](n2n1)[*:1]
COC(=O)c1nc2n(n1)[C@H](c1cccc(Cl)c1)C(C(=O)Nc1ccccc1OC)=C(C)N2 COc1ccccc1[*:1] COC(=O)c1nc2NC(C)=C(C(=O)N[*:1])[C@@H](c3cccc(Cl)c3)n2n1
CC(C)(C)OC(=O)CNC(=O)C1CCN(c2ncccn2)CC1 CC(C)(C)[*:1] O=C(CNC(=O)C1CCN(CC1)c1ncccn1)O[*:1]
CC(C)(C)OC(=O)CNC(=O)C1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CC(C)(C)OC(=O)CNC(=O)C1CCN(CC1)[*:1]
CC(C)(C)OC(=O)CNC(=O)C1CCN(c2ncccn2)CC1 CC(C)(C)OC(=O)[*:1] O=C(NC[*:1])C1CCN(CC1)c1ncccn1
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)c2ccccc2n1 Cc1cc(c(C)s1)[*:1] Cc1cc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c2ccccc2n1
Cc1ccc(SCC(=O)NNC(=O)c2ccncc2Cl)cc1 Clc1cnccc1[*:1] Cc1ccc(cc1)SCC(=O)NNC(=O)[*:1]
Cc1ccc(SCC(=O)NNC(=O)c2ccncc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(CS[*:1])NNC(=O)c1ccncc1Cl
CCN(C[C@@H](C)C#N)C(=O)Nc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] CCN(C[C@@H](C)C#N)C(=O)Nc1cc(on1)[*:1]
Cc1ncn(-c2cc(NCCNC(=O)c3c(F)cccc3F)ncn2)c1C Cc1ncn(c1C)[*:1] O=C(NCCNc1cc(ncn1)[*:1])c1c(F)cccc1F
Cc1ncn(-c2cc(NCCNC(=O)c3c(F)cccc3F)ncn2)c1C Fc1cccc(F)c1[*:1] Cc1ncn(-c2cc(ncn2)NCCNC(=O)[*:1])c1C
COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12 Fc1ccc(cc1)[*:1] COc1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc12 COc1cccc2sc(nc12)[*:1] O=C1C[C@H](CN1c1ccc(F)cc1)C(=O)N(C[C@@H]1CCCO1)[*:1]
Cc1nn(C)c2c(=O)n(C(C)C)c(N3CCN(C(=O)COc4ccccc4Cl)CC3)nc12 CC(C)[*:1] Cc1nn(C)c2c(=O)n(c(nc12)N1CCN(CC1)C(=O)COc1ccccc1Cl)[*:1]
Cc1nn(C)c2c(=O)n(C(C)C)c(N3CCN(C(=O)COc4ccccc4Cl)CC3)nc12 Clc1ccccc1O[*:1] Cc1nn(C)c2c(=O)n(c(nc12)N1CCN(CC1)C(=O)C[*:1])C(C)C
Cc1nn(C)c2c(=O)n(C(C)C)c(N3CCN(C(=O)COc4ccccc4Cl)CC3)nc12 Clc1ccccc1[*:1] Cc1nn(C)c2c(=O)n(c(nc12)N1CCN(CC1)C(=O)CO[*:1])C(C)C
Cc1nn(C)c2c(=O)n(C(C)C)c(N3CCN(C(=O)COc4ccccc4Cl)CC3)nc12 Clc1ccccc1OC[*:1] Cc1nn(C)c2c(=O)n(c(nc12)N1CCN(CC1)C(=O)[*:1])C(C)C
C[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] C[C@H](C(=O)NCC(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] C[C@H](C[*:1])C(=O)NCC(=O)N[C@@H]1CCS(=O)(=O)C1
C[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H](Cc1ccccc1)C(=O)NCC(=O)N[*:1]
N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]2O)cc1 N#Cc1ccccc1[*:1] O=C(NCc1ccc(cc1)[*:1])NC[C@@H]1CCC[C@@H]1O
COC(=O)CCS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 COC(=O)[*:1] CS(=O)(=O)N1CCCc2ccc(cc21)NS(=O)(=O)CC[*:1]
COC(=O)CCS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 COC(=O)CC[*:1] CS(=O)(=O)N1CCCc2ccc(cc21)NS(=O)(=O)[*:1]
COC(=O)CCS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 COC(=O)C[*:1] CS(=O)(=O)N1CCCc2ccc(cc21)NS(=O)(=O)C[*:1]
CCC(=O)Nc1cccc(C(=O)N2CCC([C@H](O)C(C)C)CC2)c1 CC(C)[*:1] CCC(=O)Nc1cccc(c1)C(=O)N1CCC(CC1)[C@H](O)[*:1]
CCC(=O)Nc1cccc(C(=O)N2CCC([C@H](O)C(C)C)CC2)c1 CCC(=O)N[*:1] CC(C)[C@@H](O)C1CCN(CC1)C(=O)c1cccc(c1)[*:1]
Cc1cc(C)c2c(c1)[C@@H](NC(=O)CCCn1cncn1)CCO2 c1ncn(n1)[*:1] Cc1cc(C)c2OCC[C@H](NC(=O)CCC[*:1])c2c1
Cc1cc(C)c2c(c1)[C@@H](NC(=O)CCCn1cncn1)CCO2 c1ncn(C[*:1])n1 Cc1cc(C)c2OCC[C@H](NC(=O)CC[*:1])c2c1
Cc1cc(C)c2c(c1)[C@@H](NC(=O)CCCn1cncn1)CCO2 c1ncn(CC[*:1])n1 Cc1cc(C)c2OCC[C@H](NC(=O)C[*:1])c2c1
Cc1ccc(C(=O)NCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N(C)Cc1cnn(c1)[*:1]
Cc1ccc(C(=O)NCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1C Cc1ccc(cc1C)[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)CNC(=O)[*:1]
Cc1ccc2c(c1)CCN2C(=O)c1ccc(C)c(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] Cc1ccc2c(c1)CCN2C(=O)c1ccc(C)c(c1)[*:1]
O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@](O)(C1)[*:1]
O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@](O)(C(F)(F)F)C1 O=[N+]([O-])[*:1] O[C@]1(CCN(C1)c1ccc(Cl)cc1[*:1])C(F)(F)F
COCc1csc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)n1 C1CC1c1noc(n1)[*:1] COCc1csc(n1)NC(=O)c1ccc(cc1)[*:1]
COCc1csc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)n1 COC[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(cc1)-c1nc(no1)C1CC1
COCc1csc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)n1 COCc1csc(n1)[*:1] O=C(N[*:1])c1ccc(cc1)-c1nc(no1)C1CC1
COCc1csc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)n1 C1CC1[*:1] COCc1csc(n1)NC(=O)c1ccc(cc1)-c1nc(no1)[*:1]
O=c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)c2cc3c(cc2o1)OCO3 c1ccc(cc1)[*:1] O=c1cc(C[NH+]2CCC(CC2)C[*:1])c2cc3OCOc3cc2o1
O=c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)c2cc3c(cc2o1)OCO3 c1ccc(cc1)C[*:1] O=c1cc(C[NH+]2CCC(CC2)[*:1])c2cc3OCOc3cc2o1
C[NH+]1CCN(c2cc(NC(=O)[C@H]3CCCN(c4ccc(-c5ccco5)nn4)C3)ncn2)CC1 c1coc(c1)[*:1] C[NH+]1CCN(CC1)c1cc(ncn1)NC(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
C[NH+]1CCN(c2cc(NC(=O)[C@H]3CCCN(c4ccc(-c5ccco5)nn4)C3)ncn2)CC1 c1coc(c1)-c1ccc(nn1)[*:1] C[NH+]1CCN(CC1)c1cc(ncn1)NC(=O)[C@H]1CCCN(C1)[*:1]
O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C(c1cccc(c1)NS(=O)(=O)c1ccccc1)N1CCc2ccc(cc21)[*:1]
O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCc2ccc([N+](=O)[O-])cc21 c1ccc(cc1)[*:1] O=C(c1cccc(c1)NS(=O)(=O)[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCc2ccc([N+](=O)[O-])cc21 O=S(=O)(N[*:1])c1ccccc1 O=C(c1cccc(c1)[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCCCNC2=O)cc1 O=C1NCCCC[C@@H]1[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCCCNC2=O)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)N[C@H]1CCCCNC1=O)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCCCNC2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C[*:1])C(=O)N[C@H]1CCCCNC1=O
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCCCNC2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@H](NS(=O)(=O)[*:1])C(=O)N[C@H]1CCCCNC1=O
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(CN3CCOCC3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)CN1CCOCC1)c1cn(nc1[*:1])-c1ccccc1
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(CN3CCOCC3)cs2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1nc(cs1)[*:1])-c1ccccc1
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(CN3CCOCC3)cs2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1nc(cs1)C[*:1])-c1ccccc1
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(CN3CCOCC3)cs2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1nc(cs1)CN1CCOCC1)[*:1]
Cc1ccc(Br)c(NC(=O)C(C)(C)F)c1 CC(C)(F)[*:1] Cc1ccc(Br)c(c1)NC(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2F)c1 Fc1ccccc1C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2F)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCc1ccccc1F)C(=O)NC[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC[*:1]
CC(C)CCNC(=O)[C@@H](C)[S@](=O)Cc1nc2ccccc2s1 CC(C)C[*:1] C[C@H](C(=O)NC[*:1])[S@](=O)Cc1nc2ccccc2s1
CC(C)CCNC(=O)[C@@H](C)[S@](=O)Cc1nc2ccccc2s1 CC(C)[*:1] C[C@H](C(=O)NCC[*:1])[S@](=O)Cc1nc2ccccc2s1
CC(C)CCNC(=O)[C@@H](C)[S@](=O)Cc1nc2ccccc2s1 CC(C)CC[*:1] C[C@H](C(=O)N[*:1])[S@](=O)Cc1nc2ccccc2s1
CC(C)n1ccc(CC(=O)N2CCC[C@H](n3cncn3)C2)n1 CC(C)[*:1] O=C(Cc1ccn(n1)[*:1])N1CCC[C@@H](C1)n1cncn1
CC(C)n1ccc(CC(=O)N2CCC[C@H](n3cncn3)C2)n1 c1ncn(n1)[*:1] CC(C)n1ccc(CC(=O)N2CCC[C@H](C2)[*:1])n1
N#CCc1ccc(S(=O)(=O)NC2CCC3(CC2)OCCO3)cc1 N#CC[*:1] O=S(=O)(NC1CCC2(CC1)OCCO2)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1nc2cc(Cl)ccc2n1C c1ccc(cc1)[*:1] C[C@@H]([NH2+]CCC(=O)N[*:1])c1nc2cc(Cl)ccc2n1C
Cc1cc(C)cc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3cccc(Cl)c3)c2=O)c1 Clc1cccc(c1)C[*:1] Cc1cc(C)cc(c1)-n1nc(C(=O)NCc2ccncc2)c(=O)n(c1=O)[*:1]
Cc1cc(C)cc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3cccc(Cl)c3)c2=O)c1 Clc1cccc(c1)[*:1] Cc1cc(C)cc(c1)-n1nc(C(=O)NCc2ccncc2)c(=O)n(C[*:1])c1=O
Cc1cc(C)cc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3cccc(Cl)c3)c2=O)c1 c1cc(ccn1)C[*:1] Cc1cc(C)cc(c1)-n1nc(C(=O)N[*:1])c(=O)n(Cc2cccc(Cl)c2)c1=O
Cc1cc(C)cc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3cccc(Cl)c3)c2=O)c1 c1cc(ccn1)[*:1] Cc1cc(C)cc(c1)-n1nc(C(=O)NC[*:1])c(=O)n(Cc2cccc(Cl)c2)c1=O
Cc1cc(C)cc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3cccc(Cl)c3)c2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCc1ccncc1)c1nn(c(=O)n(Cc2cccc(Cl)c2)c1=O)[*:1]
Cc1cc(C)cc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3cccc(Cl)c3)c2=O)c1 O=C(NCc1ccncc1)[*:1] Cc1cc(C)cc(c1)-n1nc(c(=O)n(Cc2cccc(Cl)c2)c1=O)[*:1]
CCc1ccsc1CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 CCc1ccsc1C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
CCc1ccsc1CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] CCc1ccsc1CNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCc1ccsc1CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 CCc1ccsc1[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)c1cccs1
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2)[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2)[C@@H](C1)[*:1]
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2)[C@@H](C(=O)[O-])C1 CC(C)(C)[*:1] O=C([O-])[C@H]1CN(CC[C@H]1[NH2+]Cc1cccc(Br)c1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2)[C@@H](C(=O)[O-])C1 Brc1cccc(c1)C[*:1] CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][*:1])[C@H](C1)C(=O)[O-]
CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2)[C@@H](C(=O)[O-])C1 Brc1cccc(c1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[*:1])[C@H](C1)C(=O)[O-]
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
O[C@H](C[NH2+]C1CC1)COc1ccc(-c2ncc[nH]2)cc1 c1c[nH]c(n1)[*:1] O[C@H](C[NH2+]C1CC1)COc1ccc(cc1)[*:1]
O[C@H](C[NH2+]C1CC1)COc1ccc(-c2ncc[nH]2)cc1 C1CC1[*:1] O[C@H](C[NH2+][*:1])COc1ccc(cc1)-c1ncc[nH]1
Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)[nH+]1 O=C(N[*:1])c1ccccc1Cl Cc1cc(nc(Nc2ccc(cc2)[*:1])[nH+]1)N1CCOCC1
Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)[nH+]1 Clc1ccccc1[*:1] Cc1cc(nc(Nc2ccc(cc2)NC(=O)[*:1])[nH+]1)N1CCOCC1
Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)[nH+]1 C1CN(CCO1)[*:1] Cc1cc(nc(Nc2ccc(cc2)NC(=O)c2ccccc2Cl)[nH+]1)[*:1]
CCCc1cc(NC(=O)N(CCS(C)(=O)=O)C(C)C)n(C)n1 CS(=O)(=O)C[*:1] CCCc1cc(NC(=O)N(C[*:1])C(C)C)n(C)n1
CCCc1cc(NC(=O)N(CCS(C)(=O)=O)C(C)C)n(C)n1 CS(=O)(=O)CC[*:1] CCCc1cc(NC(=O)N(C(C)C)[*:1])n(C)n1
CCCc1cc(NC(=O)N(CCS(C)(=O)=O)C(C)C)n(C)n1 CS(=O)(=O)[*:1] CCCc1cc(NC(=O)N(CC[*:1])C(C)C)n(C)n1
CCCc1cc(NC(=O)N(CCS(C)(=O)=O)C(C)C)n(C)n1 CC(C)[*:1] CCCc1cc(NC(=O)N(CCS(C)(=O)=O)[*:1])n(C)n1
CCCc1cc(NC(=O)N(CCS(C)(=O)=O)C(C)C)n(C)n1 CCC[*:1] CC(C)N(CCS(C)(=O)=O)C(=O)Nc1cc(nn1C)[*:1]
O=C(CSc1ccncc1)N1CCOC[C@@H](O)C1 c1cc(ccn1)[*:1] O=C(CS[*:1])N1CCOC[C@@H](O)C1
Brc1cccc(OCCSc2nnc([C@H]3COc4ccccc4O3)o2)c1 Brc1cccc(c1)[*:1] c1ccc2O[C@H](COc2c1)c1nnc(o1)SCCO[*:1]
Brc1cccc(OCCSc2nnc([C@H]3COc4ccccc4O3)o2)c1 Brc1cccc(c1)O[*:1] c1ccc2O[C@H](COc2c1)c1nnc(o1)SCC[*:1]
CCOc1cc(C)ccc1CNC(=O)c1cnc2sc(C)cn2c1=O CCO[*:1] Cc1ccc(CNC(=O)c2cnc3sc(C)cn3c2=O)c(c1)[*:1]
Cc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2C)C(=O)[C@@H]1C Cc1c(Cl)cccc1[*:1] Cc1ccccc1C(=O)N1CCN(C(=O)[C@@H]1C)[*:1]
Cc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2C)C(=O)[C@@H]1C Cc1ccccc1[*:1] Cc1c(Cl)cccc1N1CCN(C(=O)[*:1])[C@@H](C)C1=O
CC(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)[C@H](C)C1 CC(C)[*:1] C[C@H]([NH2+][C@H]1CCN(C[C@H]1C)C(=O)[*:1])c1ccc(F)c(Cl)c1
CCOC(=O)c1sc(-n2cccc2)nc1C CCOC(=O)[*:1] Cc1nc(sc1[*:1])-n1cccc1
CCOC(=O)c1sc(-n2cccc2)nc1C c1ccn(c1)[*:1] CCOC(=O)c1sc(nc1C)[*:1]
CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 CCNC(=O)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccc(Cl)s1
CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] CCNC(=O)c1ccc(cc1)NC(=O)N[C@H](C)[*:1]
CC(=O)Oc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C1 CC(=O)O[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1[*:1]
C[C@@H](c1ccco1)N(C(=O)NCCCc1cccc(F)c1)C1CC1 Fc1cccc(c1)[*:1] C[C@@H](c1ccco1)N(C(=O)NCCC[*:1])C1CC1
C[C@@H](c1ccco1)N(C(=O)NCCCc1cccc(F)c1)C1CC1 Fc1cccc(c1)C[*:1] C[C@@H](c1ccco1)N(C(=O)NCC[*:1])C1CC1
C[C@@H](c1ccco1)N(C(=O)NCCCc1cccc(F)c1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)NCCCc1cccc(F)c1)C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)NCCCc1cccc(F)c1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)NCCCc1cccc(F)c1)[*:1]
COC(=O)[C@H]1[C@@H](NC(=O)c2c[nH]c3nccc(Cl)c23)[C@H]2CC[C@@H]1C2 COC(=O)[*:1] O=C(N[C@H]1[C@H]2CC[C@H](C2)[C@H]1[*:1])c1c[nH]c2nccc(Cl)c12
CCN1CCN(C(=O)[C@H](C)Sc2nc(-c3cccnc3)n[nH]2)CC1 c1cncc(c1)[*:1] CCN1CCN(CC1)C(=O)[C@H](C)Sc1nc(n[nH]1)[*:1]
Cc1cccc2[nH]c(C[NH2+][C@H](C)CC(=O)N(C)C)nc12 CN(C)C(=O)[*:1] Cc1cccc2[nH]c(C[NH2+][C@H](C)C[*:1])nc12
Cc1cccc2[nH]c(C[NH2+][C@H](C)CC(=O)N(C)C)nc12 CN(C)C(=O)C[*:1] Cc1cccc2[nH]c(C[NH2+][C@H](C)[*:1])nc12
Cc1ccc(NC(=O)Cc2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 FC(F)(F)c1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)Cc1nc(cs1)CN1CCN(CC1)[*:1]
Cc1ccc(NC(=O)Cc2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 Cc1ccc(cc1)NC(=O)[*:1] FC(F)(F)c1cccc(c1)N1CCN(CC1)Cc1csc(C[*:1])n1
Cc1ccc(NC(=O)Cc2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC(=O)Cc1nc(cs1)CN1CCN(CC1)c1cccc(c1)[*:1]
Cc1ccc(NC(=O)Cc2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 Cc1ccc(cc1)NC(=O)C[*:1] FC(F)(F)c1cccc(c1)N1CCN(CC1)Cc1csc(n1)[*:1]
Cc1ccc(NC(=O)Cc2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1nc(cs1)CN1CCN(CC1)c1cccc(c1)C(F)(F)F)N[*:1]
O=C(COc1ccc(Br)cc1F)NCc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] O=C(COc1ccc(Br)cc1F)NCc1ccc(cc1)[*:1]
O=C(COc1ccc(Br)cc1F)NCc1ccc(C(=O)N2CCCC2)cc1 Fc1cc(Br)ccc1O[*:1] O=C(C[*:1])NCc1ccc(cc1)C(=O)N1CCCC1
O=C(COc1ccc(Br)cc1F)NCc1ccc(C(=O)N2CCCC2)cc1 Fc1cc(Br)ccc1[*:1] O=C(CO[*:1])NCc1ccc(cc1)C(=O)N1CCCC1
O=C(NCCO)c1cc([C@H]2CCN(Cc3cnn(C4CCCCC4)c3)C2)nc2ccccc12 C1CCC(CC1)[*:1] O=C(NCCO)c1cc(nc2ccccc12)[C@H]1CCN(Cc2cnn(c2)[*:1])C1
O=C(NCCO)c1cc([C@H]2CCN(Cc3cnn(C4CCCCC4)c3)C2)nc2ccccc12 O=C(NCCO)[*:1] c1ccc2c(cc(nc2c1)[C@H]1CCN(Cc2cnn(c2)C2CCCCC2)C1)[*:1]
O=C(NCCO)c1cc([C@H]2CCN(Cc3cnn(C4CCCCC4)c3)C2)nc2ccccc12 c1nn(cc1[*:1])C1CCCCC1 O=C(NCCO)c1cc(nc2ccccc12)[C@H]1CCN(C1)C[*:1]
O=C(NCCO)c1cc([C@H]2CCN(Cc3cnn(C4CCCCC4)c3)C2)nc2ccccc12 OCC[*:1] O=C(N[*:1])c1cc(nc2ccccc12)[C@H]1CCN(Cc2cnn(c2)C2CCCCC2)C1
CN(C)c1ccc(C(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 CN(C)[*:1] O=C(NCC1CCN(CC1)C(=O)Nc1ccc(F)cc1)c1ccc(cc1)[*:1]
CN(C)c1ccc(C(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 CN(C)c1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)N1CCC(CC1)CNC(=O)[*:1]
CN(C)c1ccc(C(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] CN(C)c1ccc(cc1)C(=O)NCC1CCN(CC1)C(=O)N[*:1]
CC(C)CNC(=O)CN1CCN(c2ccc(Cl)cc2)C1=O CC(C)CNC(=O)[*:1] O=C1N(CCN1c1ccc(Cl)cc1)C[*:1]
CC(C)CNC(=O)CN1CCN(c2ccc(Cl)cc2)C1=O CC(C)[*:1] O=C(CN1CCN(C1=O)c1ccc(Cl)cc1)NC[*:1]
CC(C)CNC(=O)CN1CCN(c2ccc(Cl)cc2)C1=O CC(C)C[*:1] O=C(CN1CCN(C1=O)c1ccc(Cl)cc1)N[*:1]
CC(C)CNC(=O)CN1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CC(C)CNC(=O)CN1CCN(C1=O)[*:1]
O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(C[C@H]1CSc2nc3CCCCc3c(=O)n21)N1CCN(CC1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)CNC(=O)NCc1ccc(Cl)cc1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)CNC(=O)NCc1ccc(Cl)cc1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)CNC(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1noc(C)c1[C@H](C)NC(=O)CNC(=O)N[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)CNC(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)CNC(=O)NC[*:1]
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1O Cc1ccc(C)c(c1)[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])ccc1O
Cc1cc(C)n(CCCNC(=O)N[C@H]2CCCc3ccc(F)cc32)n1 Cc1cc(C)n(C[*:1])n1 O=C(NCC[*:1])N[C@H]1CCCc2ccc(F)cc21
Cc1cc(C)n(CCCNC(=O)N[C@H]2CCCc3ccc(F)cc32)n1 Cc1cc(C)n(n1)[*:1] O=C(NCCC[*:1])N[C@H]1CCCc2ccc(F)cc21
CCc1ncc(CNCCc2ccc(-n3cccn3)cc2)s1 CCc1ncc(s1)[*:1] c1cnn(c1)-c1ccc(cc1)CCNC[*:1]
CCc1ncc(CNCCc2ccc(-n3cccn3)cc2)s1 c1cnn(c1)[*:1] CCc1ncc(CNCCc2ccc(cc2)[*:1])s1
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2C)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2C)[NH+](C)C)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)[C@H](CNC(=O)C(=O)N[*:1])[NH+](C)C
CCC[NH2+][C@H](C)c1nc2c(F)cccc2[nH]1 CCC[*:1] C[C@@H]([NH2+][*:1])c1nc2c(F)cccc2[nH]1
COc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1O O=C([O-])[*:1] COc1ccc(cc1O)C(=O)N1CC[C@@H]([C@H]1C)[*:1]
C[C@H](C/[NH+]=C(/N)NC(C)(C)C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](C/[NH+]=C(/N)NC(C)(C)C)c1nc(no1)[*:1]
C[C@H](C/[NH+]=C(/N)NC(C)(C)C)c1nc(-c2ccccc2)no1 CC(C)(C)[*:1] C[C@H](C/[NH+]=C(/N)N[*:1])c1nc(no1)-c1ccccc1
CCc1cccc2cc3c(nc12)OC(=O)N(Cc1ccco1)C3 c1coc(c1)[*:1] CCc1cccc2cc3CN(C[*:1])C(=O)Oc3nc12
CCc1cccc2cc3c(nc12)OC(=O)N(Cc1ccco1)C3 c1coc(c1)C[*:1] CCc1cccc2cc3CN(C(=O)Oc3nc12)[*:1]
CC(C)(C)OC(=O)NCCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] CC(C)(C)OC(=O)NCCC(=O)N[C@H]1CCN(C1)[*:1]
CC(C)(C)OC(=O)NCCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 CC(C)(C)OC(=O)N[*:1] O=C(CC[*:1])N[C@H]1CCN(C1)c1c(F)cccc1F
CC(C)(C)OC(=O)NCCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 CC(C)(C)[*:1] O=C(CCNC(=O)O[*:1])N[C@H]1CCN(C1)c1c(F)cccc1F
C=CCC[C@H](C)OC(=O)c1cc(NC(C)=O)ccc1F C=CCC[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)O[C@@H](C)[*:1]
C=CCC[C@H](C)OC(=O)c1cc(NC(C)=O)ccc1F CC(=O)N[*:1] C=CCC[C@H](C)OC(=O)c1cc(ccc1F)[*:1]
C=CCC[C@H](C)OC(=O)c1cc(NC(C)=O)ccc1F C=CC[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)O[C@@H](C)C[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@H](O)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@H](O)c1ccccc1 Fc1ccc(cc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](N1C[C@H](O)c1ccccc1)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@H](O)c1ccccc1 O[C@@H](C[*:1])c1ccccc1 O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1[*:1]
C[C@@](O)(CNC(=O)[C@H]1Cc2ccccc2S1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@](O)(CNC(=O)[C@H]1Cc2ccccc2S1)C[*:1]
C[C@@](O)(CNC(=O)[C@H]1Cc2ccccc2S1)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@](O)(CNC(=O)[C@H]1Cc2ccccc2S1)[*:1]
CCCN(CCO)C[C@@H]1CCC(C)(C)[C@@H]1[NH3+] OCC[*:1] CCCN(C[C@@H]1CCC(C)(C)[C@@H]1[NH3+])[*:1]
CCCN(CCO)C[C@@H]1CCC(C)(C)[C@@H]1[NH3+] CCC[*:1] CC1(C)CC[C@@H](CN(CCO)[*:1])[C@H]1[NH3+]
Cc1ccc(C(=O)NCc2ccccc2F)cc1-n1c(C)nc2cccnc21 Fc1ccccc1[*:1] Cc1ccc(cc1-n1c(C)nc2cccnc21)C(=O)NC[*:1]
Cc1ccc(C(=O)NCc2ccccc2F)cc1-n1c(C)nc2cccnc21 Fc1ccccc1C[*:1] Cc1ccc(cc1-n1c(C)nc2cccnc21)C(=O)N[*:1]
O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1C[*:1]
O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1nccs1 c1ccc(cc1)[*:1] O=C(CN1C(=O)S/C(=C\C=C[*:1])C1=O)Nc1nccs1
O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1nccs1 C(=C[*:1])c1ccccc1 O=C(CN1C(=O)SC(=C[*:1])C1=O)Nc1nccs1
O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1nccs1 c1csc(n1)[*:1] O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)N[*:1]
O=S(=O)(NCc1cn(-c2ccccc2)nn1)c1cccc(F)c1F c1ccc(cc1)[*:1] O=S(=O)(NCc1cn(nn1)[*:1])c1cccc(F)c1F
O=S(=O)(NCc1cn(-c2ccccc2)nn1)c1cccc(F)c1F Fc1cccc(c1F)[*:1] O=S(=O)(NCc1cn(nn1)-c1ccccc1)[*:1]
C[C@H](CCO)S[C@@H](C[NH3+])c1cnn(C)c1 OCC[*:1] C[C@H](S[C@@H](C[NH3+])c1cnn(C)c1)[*:1]
C[C@H](CCO)S[C@@H](C[NH3+])c1cnn(C)c1 C[C@H](CCO)[*:1] Cn1cc(cn1)[C@H](C[NH3+])S[*:1]
Cn1cccc(NC(=O)c2cccnc2N2CCCC2)c1=O C1CCN(C1)[*:1] Cn1cccc(NC(=O)c2cccnc2[*:1])c1=O
C=CCn1c(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)nnc1[C@H]1CCS(=O)(=O)C1 C=CC[*:1] O=C1CN(C(=O)CSc2nnc([C@H]3CCS(=O)(=O)C3)n2[*:1])C2(CCCCC2)C(=O)N1
CCCC[C@H](NC(=O)CC1([NH3+])CCC1)C(=O)[O-] [NH3+]C1(CCC1)[*:1] CCCC[C@H](NC(=O)C[*:1])C(=O)[O-]
CCCC[C@H](NC(=O)CC1([NH3+])CCC1)C(=O)[O-] CCC[*:1] [NH3+]C1(CCC1)CC(=O)N[C@@H](C[*:1])C(=O)[O-]
CCCC[C@H](NC(=O)CC1([NH3+])CCC1)C(=O)[O-] O=C([O-])[*:1] CCCC[C@H](NC(=O)CC1([NH3+])CCC1)[*:1]
CCCC[C@H](NC(=O)CC1([NH3+])CCC1)C(=O)[O-] CCCC[*:1] [NH3+]C1(CCC1)CC(=O)N[C@H](C(=O)[O-])[*:1]
O=C([O-])c1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 O=C([O-])[*:1] O=c1[nH]c(=O)n(cc1Cl)Cc1ccc(cc1)[*:1]
COCC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(C(C)(C)C)n3)CO[C@H]12 COCC(=O)N[*:1] CC(C)(C)c1ccnc(n1)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)[*:1]
COCC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(C(C)(C)C)n3)CO[C@H]12 COC[*:1] CC(C)(C)c1ccnc(n1)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)[*:1]
COCC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(C(C)(C)C)n3)CO[C@H]12 CC(C)(C)[*:1] COCC(=O)N[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Nc1nccc(n1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1cc(N)c(F)cc1F Cc1noc(C)c1[*:1] C[C@H](NC(=O)c1cc(N)c(F)cc1F)[*:1]
Cc1ccc(CNC(=O)Cn2cnc3ncccc3c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1cnc2ncccc2c1=O)NC[*:1]
COc1cccc(SCC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(CS[*:1])N[C@H]1CCO[C@@H]1c1ccccc1
COc1cccc(SCC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)SCC(=O)N[C@H]1CCO[C@H]1[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] CC[C@H](C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 CC[C@H](C)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)C1CC1
CC[C@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CC[C@H](C)NC(=O)c1ccc(cc1)[*:1]
CCc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCOCC2)cc1 CCc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)c1ccccc1)C(=O)N[*:1]
CCc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CCOCC2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)C(=O)NCC1(CCOCC1)[*:1]
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2C[C@H]2c2ccccc2C)cc1C Cc1ccccc1[*:1] Cc1ccc(cc1C)NC(=O)C(=O)NNC(=O)[C@H]1C[C@@H]1[*:1]
Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2C[C@H]2c2ccccc2C)cc1C Cc1ccc(cc1C)[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NNC(=O)C(=O)N[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(C)CC(=O)N[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl O=C(N[*:1])c1ccccc1Cl CC(C)[C@@H](C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl Clc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl CC(C)[*:1] CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H](NC(=O)c1ccccc1Cl)[*:1]
CC(C)(C)C[NH+]1CCC(OCCC[NH3+])CC1 [NH3+]CCCO[*:1] CC(C)(C)C[NH+]1CCC(CC1)[*:1]
CC(C)(C)C[NH+]1CCC(OCCC[NH3+])CC1 [NH3+]CC[*:1] CC(C)(C)C[NH+]1CCC(CC1)OC[*:1]
CC(C)(C)C[NH+]1CCC(OCCC[NH3+])CC1 [NH3+]CCC[*:1] CC(C)(C)C[NH+]1CCC(CC1)O[*:1]
CC(C)(C)C[NH+]1CCC(OCCC[NH3+])CC1 CC(C)(C)C[*:1] [NH3+]CCCOC1CC[NH+](CC1)[*:1]
CC(C)(C)C[NH+]1CCC(OCCC[NH3+])CC1 CC(C)(C)[*:1] [NH3+]CCCOC1CC[NH+](CC1)C[*:1]
C/[NH+]=C(/NCc1noc(C)n1)N1CCc2cc(OC)c(OC)cc2C1 Cc1nc(no1)[*:1] C/[NH+]=C(/NC[*:1])N1CCc2cc(OC)c(cc2C1)OC
C/[NH+]=C(/NCc1noc(C)n1)N1CCc2cc(OC)c(OC)cc2C1 Cc1nc(C[*:1])no1 C/[NH+]=C(/N[*:1])N1CCc2cc(OC)c(cc2C1)OC
CCOC(=O)C[C@@H]1CCCCN1C(=O)c1coc(CN2CCc3ccccc3C2)n1 CCOC(=O)C[*:1] O=C(c1coc(CN2CCc3ccccc3C2)n1)N1CCCC[C@H]1[*:1]
CCOC(=O)C[C@@H]1CCCCN1C(=O)c1coc(CN2CCc3ccccc3C2)n1 c1ccc2CN(CCc2c1)[*:1] CCOC(=O)C[C@@H]1CCCCN1C(=O)c1coc(C[*:1])n1
CCOC(=O)C[C@@H]1CCCCN1C(=O)c1coc(CN2CCc3ccccc3C2)n1 CCOC(=O)[*:1] O=C(c1coc(CN2CCc3ccccc3C2)n1)N1CCCC[C@H]1C[*:1]
CN(CCOc1ccccc1F)C(=O)[C@@](C)(N)C(F)(F)F FC(F)(F)[*:1] CN(CCOc1ccccc1F)C(=O)[C@@](C)(N)[*:1]
CN(CCOc1ccccc1F)C(=O)[C@@](C)(N)C(F)(F)F Fc1ccccc1[*:1] CN(CCO[*:1])C(=O)[C@@](C)(N)C(F)(F)F
CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1OC CCNC(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)N(C)c1ccccc1
CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1OC c1ccc(cc1)[*:1] CCNC(=O)c1cc(ccc1OC)S(=O)(=O)N(C)[*:1]
CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCCC[C@H]3CC)c3ccccc3C(=O)N1CC2 CCO[*:1] CCOc1cc2c(cc1[*:1])CCN1C(=O)c3ccccc3[C@H](C(=O)N3CCCC[C@H]3CC)[C@@H]21
CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCCC[C@H]3CC)c3ccccc3C(=O)N1CC2 CCO[*:1] CCOc1cc2CCN3C(=O)c4ccccc4[C@H](C(=O)N4CCCC[C@H]4CC)[C@H]3c2cc1[*:1]
CCCCNC(=O)NC(=O)CN1CCO[C@@H]2CCCC[C@@H]21 CCCC[*:1] O=C(CN1CCO[C@@H]2CCCC[C@@H]21)NC(=O)N[*:1]
CCCCNC(=O)NC(=O)CN1CCO[C@@H]2CCCC[C@@H]21 CCC[*:1] O=C(CN1CCO[C@@H]2CCCC[C@@H]21)NC(=O)NC[*:1]
Cc1cc(OC(F)F)c(C(=O)NCC2CCN(CC#N)CC2)s1 FC(F)[*:1] Cc1cc(O[*:1])c(s1)C(=O)NCC1CCN(CC#N)CC1
Cc1cc(OC(F)F)c(C(=O)NCC2CCN(CC#N)CC2)s1 N#CC[*:1] Cc1cc(OC(F)F)c(s1)C(=O)NCC1CCN(CC1)[*:1]
Cc1cc(OC(F)F)c(C(=O)NCC2CCN(CC#N)CC2)s1 FC(F)O[*:1] Cc1cc(c(s1)C(=O)NCC1CCN(CC#N)CC1)[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 CC(C)(C)OC(=O)N[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C1)C[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 Cc1ccccc1[*:1] CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)[C@H]1C[C@H]1[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 CC(C)(C)OC(=O)NC[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CNC(=O)O[*:1])C1
CSc1ccc(/C=C/C(=O)OCc2cccc(C(N)=O)c2)cc1 NC(=O)[*:1] CSc1ccc(/C=C/C(=O)OCc2cccc(c2)[*:1])cc1
CC(C)CCN(C(=O)Nc1ccc(F)c(C(N)=O)c1)C1CC1 CC(C)[*:1] NC(=O)c1cc(ccc1F)NC(=O)N(CC[*:1])C1CC1
CC(C)CCN(C(=O)Nc1ccc(F)c(C(N)=O)c1)C1CC1 CC(C)CC[*:1] NC(=O)c1cc(ccc1F)NC(=O)N(C1CC1)[*:1]
CC(C)CCN(C(=O)Nc1ccc(F)c(C(N)=O)c1)C1CC1 C1CC1[*:1] CC(C)CCN(C(=O)Nc1ccc(F)c(c1)C(N)=O)[*:1]
CC(C)CCN(C(=O)Nc1ccc(F)c(C(N)=O)c1)C1CC1 CC(C)C[*:1] NC(=O)c1cc(ccc1F)NC(=O)N(C[*:1])C1CC1
CC(C)CCN(C(=O)Nc1ccc(F)c(C(N)=O)c1)C1CC1 NC(=O)[*:1] CC(C)CCN(C(=O)Nc1ccc(F)c(c1)[*:1])C1CC1
C[NH2+][C@@H](CSC)c1cc(OC)cc(OC)c1 CSC[*:1] C[NH2+][C@@H](c1cc(cc(c1)OC)OC)[*:1]
CC(C)OCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 CC(C)[*:1] Fc1ccc(cc1)-c1csc2ncnc(NCCCO[*:1])c12
CC(C)OCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 CC(C)O[*:1] Fc1ccc(cc1)-c1csc2ncnc(NCCC[*:1])c12
CC(C)OCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 CC(C)OC[*:1] Fc1ccc(cc1)-c1csc2ncnc(NCC[*:1])c12
CC(C)OCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 CC(C)OCCC[*:1] Fc1ccc(cc1)-c1csc2ncnc(N[*:1])c12
CC(C)OCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 CC(C)OCC[*:1] Fc1ccc(cc1)-c1csc2ncnc(NC[*:1])c12
CC(C)OCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 CC(C)OCCCN[*:1] Fc1ccc(cc1)-c1csc2ncnc(c12)[*:1]
CC(C)OCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 Fc1ccc(cc1)[*:1] CC(C)OCCCNc1ncnc2scc(c12)[*:1]
O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(C2CC2)[nH]n1 C1CN(CCO1)C[*:1] O=C(Nc1nc(cs1)[*:1])c1cc([nH]n1)C1CC1
O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(Nc1nc(cs1)CN1CCOCC1)c1cc([nH]n1)[*:1]
O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(C2CC2)[nH]n1 C1CN(CCO1)[*:1] O=C(Nc1nc(cs1)C[*:1])c1cc([nH]n1)C1CC1
C[C@@H](CCO)C[NH2+]C[C@H]1CN(C)CCO1 C[C@@H](CCO)[*:1] CN1CCO[C@@H](C[NH2+]C[*:1])C1
C[C@@H](CCO)C[NH2+]C[C@H]1CN(C)CCO1 OCC[*:1] C[C@@H](C[NH2+]C[C@H]1CN(C)CCO1)[*:1]
O=C(OCCCn1nc2ccccn2c1=O)c1ccccn1 c1ccc(nc1)[*:1] O=C(OCCCn1nc2ccccn2c1=O)[*:1]
CC(C)N(C(=O)[C@H]1CCO[C@@H]1C)c1cccc(C(F)(F)F)c1 CC(C)[*:1] C[C@H]1OCC[C@@H]1C(=O)N(c1cccc(c1)C(F)(F)F)[*:1]
CC(C)N(C(=O)[C@H]1CCO[C@@H]1C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)N(C(=O)[C@H]1CCO[C@@H]1C)c1cccc(c1)[*:1]
CC(C)Cc1ccc([C@@H]2C(N)=NC(=O)N2C(C)C)cc1 CC(C)[*:1] CC(C)Cc1ccc(cc1)[C@@H]1C(N)=NC(=O)N1[*:1]
CC(C)Cc1ccc([C@@H]2C(N)=NC(=O)N2C(C)C)cc1 CC(C)C[*:1] CC(C)N1C(=O)N=C(N)[C@H]1c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H]2C(N)=NC(=O)N2C(C)C)cc1 CC(C)[*:1] CC(C)N1C(=O)N=C(N)[C@H]1c1ccc(cc1)C[*:1]
CNC(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)c(Cl)c1 CNC(=O)[*:1] CN(C[C@@H]1CCC[C@@H]1O)C(=O)Nc1ccc(cc1Cl)[*:1]
C/C(=C/C(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=CC(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O)[*:1]
C/C(=C/C(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(F)cc1 CS(=O)(=O)[*:1] C/C(=C/C(=O)N(C)[C@H]1CCCC[C@@H]1[*:1])c1ccc(F)cc1
O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)N[*:1]
O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl c1ccc(cc1)C[*:1] O=C(C[C@@H]1S/C(=N\C[*:1])NC1=O)Nc1cccc(Cl)c1Cl
O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl c1ccc(cc1)CC[*:1] O=C(C[C@@H]1SC(=N[*:1])NC1=O)Nc1cccc(Cl)c1Cl
O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc(Cl)c1Cl c1ccc(cc1)[*:1] O=C(C[C@@H]1S/C(=N\CC[*:1])NC1=O)Nc1cccc(Cl)c1Cl
CCCN(C)c1ccc(C(=O)O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 CS(=O)(=O)[*:1] CCCN(C)c1ccc(cc1)C(=O)O[C@@H]1CCC[C@H](C1)[*:1]
CCCN(C)c1ccc(C(=O)O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 CCCN(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)OC(=O)c1ccc(cc1)[*:1]
CCCN(C)c1ccc(C(=O)O[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 CCC[*:1] CN(c1ccc(cc1)C(=O)O[C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CCC(=O)Nc1ccc(C)c(NCC(=O)N[C@H](C)c2ccc(F)cc2)c1 CCC(=O)N[*:1] Cc1ccc(cc1NCC(=O)N[C@H](C)c1ccc(F)cc1)[*:1]
CCC(=O)Nc1ccc(C)c(NCC(=O)N[C@H](C)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(C)c(c1)NCC(=O)N[C@H](C)[*:1]
CCc1ccc(N2C(=O)CS[C@@H]2c2ccccc2F)cc1 Fc1ccccc1[*:1] CCc1ccc(cc1)N1C(=O)CS[C@H]1[*:1]
C=CCSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 C=CC[*:1] O=c1c2ccccc2nc(S[*:1])n1C[C@@H]1CCCO1
C=CCSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 C=CCS[*:1] O=c1c2ccccc2nc(n1C[C@@H]1CCCO1)[*:1]
C=CCSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C=CCSc1nc2ccccc2c(=O)n1[*:1]
C=CCSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C=CCSc1nc2ccccc2c(=O)n1C[*:1]
CC(=O)N(c1ccc(F)cc1)c1nc(COc2ccc(F)cc2Cl)cs1 Fc1ccc(c(Cl)c1)[*:1] CC(=O)N(c1ccc(F)cc1)c1nc(cs1)CO[*:1]
CC(=O)N(c1ccc(F)cc1)c1nc(COc2ccc(F)cc2Cl)cs1 Fc1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)COc1ccc(F)cc1Cl)[*:1]
C[C@H]1Oc2ccc(NC(=O)CCNC(=O)Nc3ccccc3)cc2NC1=O c1ccc(cc1)[*:1] C[C@H]1Oc2ccc(cc2NC1=O)NC(=O)CCNC(=O)N[*:1]
CN(C)C(=O)C[C@@H]1c2ccccc2CCN1C1CN(C(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CN(C)C(=O)C[C@@H]1c2ccccc2CCN1C1CN(C1)C(=O)[*:1]
CN(C)C(=O)C[C@@H]1c2ccccc2CCN1C1CN(C(=O)c2ccc(F)cc2)C1 CN(C)C(=O)C[*:1] O=C(c1ccc(F)cc1)N1CC(C1)N1CCc2ccccc2[C@H]1[*:1]
CN(C)C(=O)C[C@@H]1c2ccccc2CCN1C1CN(C(=O)c2ccc(F)cc2)C1 CN(C)C(=O)[*:1] O=C(c1ccc(F)cc1)N1CC(C1)N1CCc2ccccc2[C@H]1C[*:1]
Cc1ccc2ncccc2c1NC(=O)Cc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccc2ncccc2c1NC(=O)Cc1csc(n1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CNC(=O)Cc1ccccc1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)Cc1ccccc1
N#CCCN(Cc1ccccn1)Cc1ccc(-c2c(F)cccc2F)o1 c1ccc(nc1)[*:1] N#CCCN(Cc1ccc(o1)-c1c(F)cccc1F)C[*:1]
N#CCCN(Cc1ccccn1)Cc1ccc(-c2c(F)cccc2F)o1 Fc1cccc(F)c1[*:1] N#CCCN(Cc1ccccn1)Cc1ccc(o1)[*:1]
N#CCCN(Cc1ccccn1)Cc1ccc(-c2c(F)cccc2F)o1 N#CC[*:1] Fc1cccc(F)c1-c1ccc(CN(Cc2ccccn2)C[*:1])o1
N#CCCN(Cc1ccccn1)Cc1ccc(-c2c(F)cccc2F)o1 c1ccc(C[*:1])nc1 N#CCCN(Cc1ccc(o1)-c1c(F)cccc1F)[*:1]
N#CCCN(Cc1ccccn1)Cc1ccc(-c2c(F)cccc2F)o1 N#CCC[*:1] Fc1cccc(F)c1-c1ccc(CN(Cc2ccccn2)[*:1])o1
CCn1c(C)nc2cc(C(=O)NNC(=O)NCCc3cc(C)ccc3OC)ccc21 COc1ccc(C)cc1C[*:1] CCn1c(C)nc2cc(ccc21)C(=O)NNC(=O)NC[*:1]
CCn1c(C)nc2cc(C(=O)NNC(=O)NCCc3cc(C)ccc3OC)ccc21 COc1ccc(C)cc1[*:1] CCn1c(C)nc2cc(ccc21)C(=O)NNC(=O)NCC[*:1]
CCONC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C Cc1cc(c(C)o1)[*:1] CCONC(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
CCONC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C CCONC(=O)[*:1] Cc1cc(-c2cc(c3cnn(c3n2)C(C)C)[*:1])c(C)o1
CCONC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C CC(C)[*:1] CCONC(=O)c1cc(nc2c1cnn2[*:1])-c1cc(C)oc1C
Cc1cc(C)c(C)c(OC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1 Cc1cc(C)c(C)c(c1)[*:1] O=C(O[*:1])[C@H]1CCCN(C1)C(=O)Nc1ccccc1F
Cc1cc(C)c(C)c(OC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1 Fc1ccccc1[*:1] Cc1cc(C)c(C)c(c1)OC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CC(C)(C)[C@H]1C=C(Cc2ccccc2)N=N1 CC(C)(C)[*:1] C1=C(Cc2ccccc2)N=N[C@H]1[*:1]
CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cc2c(cc1Cl)OCO2 c1ccc(cc1)[*:1] CCOC(=O)C1=C(NC(=S)N[C@H]1c1cc2OCOc2cc1Cl)[*:1]
CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cc2c(cc1Cl)OCO2 CCOC(=O)[*:1] S=C1NC(=C([C@@H](N1)c1cc2OCOc2cc1Cl)[*:1])c1ccccc1
CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1cnccn1 CC(C)[*:1] C[C@H](NC(=O)[C@@H]([NH3+])[*:1])c1cnccn1
COC(=O)[C@H]1Cc2[nH]cnc2CN1C(=O)[C@H]1Oc2cc(OC)ccc2[C@@H]1C COC(=O)[*:1] COc1ccc2c(c1)O[C@H](C(=O)N1Cc3nc[nH]c3C[C@@H]1[*:1])[C@H]2C
Cc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)cc2Cl)cc1 Cc1ccc(cc1)[*:1] O=S(=O)([N-]c1ncc(cc1Cl)C(F)(F)F)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)cc2Cl)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)S(=O)(=O)[N-]c1ncc(cc1Cl)[*:1]
COc1cccc(SCc2nc(-c3ccc(F)cc3)no2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)SCc1nc(no1)[*:1]
O=C(CSc1nnc(-c2ccccn2)o1)Nc1ccccc1C(F)(F)F c1ccc(nc1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccccc1C(F)(F)F
O=C(CSc1nnc(-c2ccccn2)o1)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(CSc1nnc(o1)-c1ccccn1)Nc1ccccc1[*:1]
CC[C@@H](Cc1cnn(-c2ccccc2)c1)[C@H](C)O c1ccc(cc1)[*:1] CC[C@@H](Cc1cnn(c1)[*:1])[C@H](C)O
CC[C@@H](Cc1cnn(-c2ccccc2)c1)[C@H](C)O C[C@H](O)[*:1] CC[C@@H](Cc1cnn(c1)-c1ccccc1)[*:1]
CCOc1cc(/C=N/NC(N)=O)cc(I)c1OCC CCO[*:1] CCOc1c(I)cc(/C=N/NC(N)=O)cc1[*:1]
CCOc1cc(/C=N/NC(N)=O)cc(I)c1OCC CCO[*:1] CCOc1cc(/C=N/NC(N)=O)cc(I)c1[*:1]
CCOc1cc(/C=N/NC(N)=O)cc(I)c1OCC NC(=O)NN=C[*:1] CCOc1cc(cc(I)c1OCC)[*:1]
C[C@H](C(=O)N1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1 c1ccc(cc1)[*:1] C[C@H](C(=O)N1CCN(CC1)[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
C[C@H](C(=O)N1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] C[C@H](C(=O)N1CCN(CC1)c1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](C)C[NH+]1CCCC1 Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)NC[C@@H](C)C[NH+]1CCCC1)[*:1]
Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4)C3)nn2)n1 Clc1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4)C3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc32)c1 c1ccc2c(c1)CCN2[*:1] CC(=O)Nc1cccc(c1)NC(=O)C(=O)NC[C@@H](c1cccnc1)[*:1]
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc32)c1 c1cncc(c1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)C(=O)NC[C@@H](N1CCc2ccccc21)[*:1]
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc32)c1 CC(=O)N[*:1] O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)C(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc32)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)C(=O)N[*:1]
Cc1ccc(CNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NCCC(=O)NC[*:1]
Cc1ccc(CNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)CNC(=O)CCNC(=O)c1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 Cc1ccc(cc1)C[*:1] CC(C)(C)c1ccc(cc1)C(=O)NCCC(=O)N[*:1]
O=C(Cc1cccc(F)c1)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(Cc1cccc(F)c1)N[C@@H](C1CC1)[*:1]
O=C(Cc1cccc(F)c1)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(Cc1cccc(F)c1)N[C@@H](c1ccccc1)[*:1]
O=C(Cc1cccc(F)c1)N[C@@H](c1ccccc1)C1CC1 Fc1cccc(c1)[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)C1CC1
COC(=O)c1cc(F)c(C)c(NCCOc2ccccc2F)c1 COC(=O)[*:1] Cc1c(F)cc(cc1NCCOc1ccccc1F)[*:1]
COC(=O)c1cc(F)c(C)c(NCCOc2ccccc2F)c1 Fc1ccccc1[*:1] COC(=O)c1cc(F)c(C)c(c1)NCCO[*:1]
O=C(Nc1ccccc1F)c1cc2cc(Br)cc(Br)c2oc1=O Fc1ccccc1[*:1] O=C(N[*:1])c1cc2cc(Br)cc(Br)c2oc1=O
O=C(Nc1nnc(-c2ccccn2)s1)N1CCO[C@@H]2CCCC[C@H]21 c1ccc(nc1)[*:1] O=C(Nc1nnc(s1)[*:1])N1CCO[C@@H]2CCCC[C@H]21
CCN1C(=O)[C@]2(SC(C)(C)CN2C(=O)c2ccco2)c2cc(F)ccc21 c1coc(c1)[*:1] CCN1C(=O)[C@]2(SC(C)(C)CN2C(=O)[*:1])c2cc(F)ccc21
C[C@@H](c1cccc(F)c1)[C@@](C)(O)C(=O)[O-] O=C([O-])[*:1] C[C@@H](c1cccc(F)c1)[C@@](C)(O)[*:1]
O=C(Cn1cnc2c(sc3nc(-c4cccs4)ccc32)c1=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cn1cnc2c(sc3nc(ccc32)-c2cccs2)c1=O)N[*:1]
O=C(Cn1cnc2c(sc3nc(-c4cccs4)ccc32)c1=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cnc2c(sc3nc(ccc32)-c2cccs2)c1=O)NC[*:1]
O=C(Cn1cnc2c(sc3nc(-c4cccs4)ccc32)c1=O)NCc1ccccc1 c1csc(c1)[*:1] O=C(Cn1cnc2c(sc3nc(ccc32)[*:1])c1=O)NCc1ccccc1
O=C(Cn1cnc2c(sc3nc(-c4cccs4)ccc32)c1=O)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] O=c1c2sc3nc(ccc3c2ncn1C[*:1])-c1cccs1
CCOc1cc(F)ccc1NC(=O)C1CCN(C(=O)C(C)C)CC1 CC(C)[*:1] CCOc1cc(F)ccc1NC(=O)C1CCN(CC1)C(=O)[*:1]
CCOc1cc(F)ccc1NC(=O)C1CCN(C(=O)C(C)C)CC1 CCO[*:1] CC(C)C(=O)N1CCC(CC1)C(=O)Nc1ccc(F)cc1[*:1]
CCN(C[C@H](C)C#N)C(=O)C([NH3+])(CC)CC C[C@H](C#N)C[*:1] CCN(C(=O)C([NH3+])(CC)CC)[*:1]
CCN(C[C@H](C)C#N)C(=O)C([NH3+])(CC)CC C[C@H](C#N)[*:1] CCN(C[*:1])C(=O)C([NH3+])(CC)CC
O=C(NC1CCCCC1)c1ccn(COc2ccc(Cl)cc2Cl)n1 C1CCC(CC1)[*:1] O=C(N[*:1])c1ccn(COc2ccc(Cl)cc2Cl)n1
O=C(NC1CCCCC1)c1ccn(COc2ccc(Cl)cc2Cl)n1 Clc1ccc(c(Cl)c1)[*:1] O=C(NC1CCCCC1)c1ccn(CO[*:1])n1
CCOC(=O)Nc1cccc(NC(=O)C#Cc2ccccc2)c1C C(#C[*:1])c1ccccc1 CCOC(=O)Nc1cccc(NC(=O)[*:1])c1C
CCOC(=O)Nc1cccc(NC(=O)C#Cc2ccccc2)c1C CCOC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)C#Cc1ccccc1
CCOC(=O)Nc1cccc(NC(=O)C#Cc2ccccc2)c1C c1ccc(cc1)[*:1] CCOC(=O)Nc1cccc(NC(=O)C#C[*:1])c1C
C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc21 Cc1cc(F)ccc1[*:1] C=CCN1C(=O)C(C)(C)COc2ccc(cc21)NS(=O)(=O)[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc21 C=CC[*:1] Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2OCC(C)(C)C(=O)N(c2c1)[*:1]
CC(C)NC(=O)CC(=O)N/N=C/c1ccc(Br)cc1 CC(C)[*:1] O=C(CC(=O)N[*:1])N/N=C/c1ccc(Br)cc1
CC(C)NC(=O)CC(=O)N/N=C/c1ccc(Br)cc1 CC(C)NC(=O)[*:1] O=C(C[*:1])N/N=C/c1ccc(Br)cc1
Cc1cc(C)c(C(=O)CSc2nnc(N3CCOCC3)s2)c(C)c1 C1CN(CCO1)[*:1] Cc1cc(C)c(C(=O)CSc2nnc(s2)[*:1])c(C)c1
CNC(=O)[C@@H](C)CN(C)C(=O)c1cnc(SC)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)c1cnc(SC)n1[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1cnc(SC)n1-c1ccc(F)cc1 CNC(=O)[*:1] CSc1ncc(C(=O)N(C)C[C@H](C)[*:1])n1-c1ccc(F)cc1
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(F)cc1)CC2 CC(C)NC(=O)N[*:1] O=C(c1ccc(F)cc1)N1CCc2nc(sc2C1)[*:1]
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(F)cc1)CC2 Fc1ccc(cc1)[*:1] CC(C)NC(=O)Nc1nc2CCN(Cc2s1)C(=O)[*:1]
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(F)cc1)CC2 CC(C)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1ccc(F)cc1)N[*:1]
C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cccnc1 c1cncc(c1)[*:1] C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
COc1cc(C[NH+]2CCN(c3ccccc3)C(=O)C2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C[NH+]1CCN(C(=O)C1)c1ccccc1
COc1cc(C[NH+]2CCN(c3ccccc3)C(=O)C2)ccc1OC(C)C c1ccc(cc1)[*:1] COc1cc(ccc1OC(C)C)C[NH+]1CCN(C(=O)C1)[*:1]
COc1cc(C[NH+]2CCN(c3ccccc3)C(=O)C2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C[NH+]1CCN(C(=O)C1)c1ccccc1
Cc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(C)C)[C@@H]4C2=O)c1 CC(C)C[*:1] Cc1cccc(c1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O[*:1])[C@@H]3C1=O
Cc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(C)C)[C@@H]4C2=O)c1 Cc1cccc(c1)[*:1] CC(C)COC(=O)[C@@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
Cc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(C)C)[C@@H]4C2=O)c1 CC(C)COC(=O)[*:1] Cc1cccc(c1)N1C[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C1=O)[*:1]
Cc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(C)C)[C@@H]4C2=O)c1 CC(C)[*:1] Cc1cccc(c1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OC[*:1])[C@@H]3C1=O
COC(=O)[C@H]1CN(C(=O)c2sccc2N)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1sccc1N
COC(=O)[C@H]1CN(C(=O)c2sccc2N)C[C@H]1C Nc1ccsc1[*:1] COC(=O)[C@H]1CN(C[C@H]1C)C(=O)[*:1]
CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nnc(o1)[*:1]
Cn1c(CSc2nccn2C2CC2)cc(=O)n(C)c1=O C1CC1[*:1] Cn1c(cc(=O)n(C)c1=O)CSc1nccn1[*:1]
Cc1ccc(C)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)c1 O=[N+]([O-])c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
Cc1ccc(C)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[*:1])[C@H](Cc1ccc(cc1)[N+](=O)[O-])N1C(=O)c2ccccc2C1=O
Cc1ccc(C)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](C[*:1])N1C(=O)c2ccccc2C1=O
Cc1ccc(C)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](Cc1ccc(cc1)[*:1])N1C(=O)c2ccccc2C1=O
Cc1ccc(C)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)c1 O=C1c2ccccc2C(=O)N1[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccc(C)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)c1 Cc1ccc(C)c(c1)NC(=O)[*:1] O=C1c2ccccc2C(=O)N1[C@@H](Cc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@H](c2ccco2)C3)cc1 Cc1ccc(cc1)[*:1] N#CC1=C2N=C(N)c3ccccc3N2C2C[C@H](CC(=O)C=2[C@H]1[*:1])c1ccco1
Cc1ccc([C@H]2C(C#N)=C3N=C(N)c4ccccc4N3C3=C2C(=O)C[C@H](c2ccco2)C3)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@H]1C(C#N)=C2N=C(N)c3ccccc3N2C2C[C@@H](CC(=O)C=21)[*:1]
CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F FC(F)[*:1] CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1nc2ccccc2n1[*:1]
CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F CC[C@@H](C)[*:1] C[C@H]([NH2+]C[C@@H](O)[*:1])c1nc2ccccc2n1C(F)F
CCOc1ccc(NC(=O)c2cccc(F)c2OCC)cc1OC CCO[*:1] CCOc1ccc(cc1OC)NC(=O)c1cccc(F)c1[*:1]
CCOc1ccc(NC(=O)c2cccc(F)c2OCC)cc1OC CCO[*:1] CCOc1c(F)cccc1C(=O)Nc1ccc(c(c1)OC)[*:1]
CC[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H]([NH2+][C@@H]1CCCc2cccnc21)[*:1]
Cc1ccc(SCCNC(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 Cc1noc(n1)[*:1] Cc1ccc(cc1)SCCNC(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(SCCNC(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 Cc1ccc(cc1)S[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C(=O)NCC[*:1]
Cc1ccc(SCCNC(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C(=O)NCCS[*:1]
O=C(NC[C@H](CO)Cc1ccccc1F)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(NC[C@H](CO)Cc1ccccc1F)[C@H]1CC=CC[C@H]1[*:1]
O=C(NC[C@H](CO)Cc1ccccc1F)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 Fc1ccccc1[*:1] O=C(NC[C@H](CO)C[*:1])[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1
O=C(NC[C@H](CO)Cc1ccccc1F)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 Fc1ccccc1C[*:1] O=C(NC[C@H](CO)[*:1])[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1
CCOC(=O)N1CCC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 c1ccc(cc1)O[*:1] CCOC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccccc1[*:1]
CCOC(=O)N1CCC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 c1ccc(cc1)[*:1] CCOC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccccc1O[*:1]
C[C@H](CCOc1ccccc1)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 c1ccc(cc1)O[*:1] C[C@H](CC[*:1])C(=O)Nc1cccc(c1)-c1[nH+]ccn1C
C[C@H](CCOc1ccccc1)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 c1ccc(cc1)[*:1] C[C@H](CCO[*:1])C(=O)Nc1cccc(c1)-c1[nH+]ccn1C
C[C@H](CCOc1ccccc1)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 c1ccc(cc1)OC[*:1] C[C@H](C[*:1])C(=O)Nc1cccc(c1)-c1[nH+]ccn1C
O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] O=C(Nc1ccccc1)Nc1cccc(c1)NC(=O)[*:1]
O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc(F)cc2F)c1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NC(=O)c1ccc(F)cc1F)N[*:1]
CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCOC(C)C CC(C)OC[*:1] CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CC[*:1]
CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCOC(C)C CC(C)OCC[*:1] CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2C[*:1]
CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCOC(C)C CC(C)O[*:1] CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCC[*:1]
CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCOC(C)C CC(C)[*:1] CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCO[*:1]
CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCOC(C)C CC(C)OCCC[*:1] CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2[*:1]
CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCOC(C)C CCC[*:1] CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@]12C(=O)N(c1ccccc12)[*:1]
CC(C)C[NH+]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 CC(C)C[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)N1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 N#Cc1ccc(nc1)[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)NC1CCC(CC1)O[*:1]
CC(C)C[NH+]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 CC(C)[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)N1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 N#Cc1ccc(nc1)O[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)NC1CCC(CC1)[*:1]
O=C(NCCc1nc2ccccc2[nH]1)c1cc2ccccc2cc1NC(=O)C1CC1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NCC[*:1])c1cc2ccccc2cc1NC(=O)C1CC1
O=C(NCCc1nc2ccccc2[nH]1)c1cc2ccccc2cc1NC(=O)C1CC1 O=C(N[*:1])C1CC1 O=C(NCCc1nc2ccccc2[nH]1)c1cc2ccccc2cc1[*:1]
O=C(NCCc1nc2ccccc2[nH]1)c1cc2ccccc2cc1NC(=O)C1CC1 C1CC1[*:1] O=C(NCCc1nc2ccccc2[nH]1)c1cc2ccccc2cc1NC(=O)[*:1]
O=C(NCCc1nc2ccccc2[nH]1)c1cc2ccccc2cc1NC(=O)C1CC1 c1ccc2[nH]c(C[*:1])nc2c1 O=C(NC[*:1])c1cc2ccccc2cc1NC(=O)C1CC1
Cn1c(=O)c2c(ncn2CCCC(=O)/N=c2\[nH]c3ccccc3n2C2CCCCC2)n(C)c1=O C1CCC(CC1)[*:1] Cn1c(=O)c2c(ncn2CCCC(=O)/N=c2\[nH]c3ccccc3n2[*:1])n(C)c1=O
C[C@@H](C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)N[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@@H](C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@@H](C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H](C(=O)NCc1ccccc1)c1ccc(cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)NCc2nc(-c3ccncc3)no2)cc1 CC(C)[*:1] O=S(=O)(NCc1nc(no1)-c1ccncc1)c1ccc(cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)NCc2nc(-c3ccncc3)no2)cc1 c1cc(ccn1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)NCc1nc(no1)[*:1]
CCCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)c2)CC1 c1cc2CCCCc2cc1[*:1] CCCNC(=O)C1CCN(CC1)C(=O)c1cccc(c1)NS(=O)(=O)[*:1]
CCCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)c2)CC1 CCCNC(=O)[*:1] O=C(c1cccc(c1)NS(=O)(=O)c1ccc2CCCCc2c1)N1CCC(CC1)[*:1]
CCCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)c2)CC1 CCC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccc(c1)NS(=O)(=O)c1ccc2CCCCc2c1
Cc1nn(Cc2nc(-c3ccsc3)no2)c(=O)c2ccccc12 c1cc(cs1)[*:1] Cc1nn(Cc2nc(no2)[*:1])c(=O)c2ccccc12
O=C(Nc1ccc(OC(F)F)c2ncccc12)C(=O)NC1CC1 FC(F)[*:1] O=C(Nc1ccc(O[*:1])c2ncccc12)C(=O)NC1CC1
O=C(Nc1ccc(OC(F)F)c2ncccc12)C(=O)NC1CC1 FC(F)O[*:1] O=C(Nc1ccc(c2ncccc12)[*:1])C(=O)NC1CC1
O=C(Nc1ccc(OC(F)F)c2ncccc12)C(=O)NC1CC1 C1CC1[*:1] O=C(Nc1ccc(OC(F)F)c2ncccc12)C(=O)N[*:1]
Cc1ccccc1C(=O)ON1C(=O)c2cccc3cccc(c23)C1=O Cc1ccccc1[*:1] O=C1c2cccc3cccc(C(=O)N1OC(=O)[*:1])c23
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(C#N)c1 O=[N+]([O-])[*:1] N#C/C(=C/c1ccc(o1)-c1ccccc1[*:1])c1cccc(C#N)c1
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] N#C/C(=C/c1ccc(o1)-c1ccccc1[N+](=O)[O-])[*:1]
COc1cccc(-c2noc(CSc3nc4ccccc4n3C(F)F)n2)c1 FC(F)[*:1] COc1cccc(c1)-c1noc(CSc2nc3ccccc3n2[*:1])n1
COc1cccc(-c2noc(CSc3nc4ccccc4n3C(F)F)n2)c1 COc1cccc(c1)[*:1] FC(F)n1c(nc2ccccc21)SCc1nc(no1)[*:1]
O=S(=O)(/N=C(\[O-])c1ccc(OCC2CC2)nc1)c1ccsc1 C1CC1C[*:1] O=S(=O)(/N=C(\[O-])c1ccc(nc1)O[*:1])c1ccsc1
O=S(=O)(/N=C(\[O-])c1ccc(OCC2CC2)nc1)c1ccsc1 C1CC1[*:1] O=S(=O)(/N=C(\[O-])c1ccc(nc1)OC[*:1])c1ccsc1
O=S(=O)(/N=C(\[O-])c1ccc(OCC2CC2)nc1)c1ccsc1 c1cc(cs1)[*:1] O=S(=O)(/N=C(\[O-])c1ccc(nc1)OCC1CC1)[*:1]
O=S(=O)(/N=C(\[O-])c1ccc(OCC2CC2)nc1)c1ccsc1 C1CC1CO[*:1] O=S(=O)(/N=C(\[O-])c1ccc(nc1)[*:1])c1ccsc1
Cc1ccc2nc(C)c(C(=O)OCC(=O)Nc3ccnn3Cc3ccccc3Cl)cc2c1 Clc1ccccc1[*:1] Cc1ccc2nc(C)c(cc2c1)C(=O)OCC(=O)Nc1ccnn1C[*:1]
Cc1ccc2nc(C)c(C(=O)OCC(=O)Nc3ccnn3Cc3ccccc3Cl)cc2c1 Clc1ccccc1C[*:1] Cc1ccc2nc(C)c(cc2c1)C(=O)OCC(=O)Nc1ccnn1[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1CN(C)[C@@H](C)CS(C)(=O)=O Fc1ccc(c(F)c1)[*:1] Cc1nn(c(C)c1CN(C)[C@@H](C)CS(C)(=O)=O)[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1CN(C)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1CN(C)[C@@H](C)C[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1CN(C)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1CN(C)[C@@H](C)[*:1]
O=C(CC1(O)CCCCC1)NC[C@H]1CCO[C@H]1c1ccccc1 OC1(CCCCC1)[*:1] O=C(C[*:1])NC[C@H]1CCO[C@H]1c1ccccc1
O=C(CC1(O)CCCCC1)NC[C@H]1CCO[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CC1(O)CCCCC1)NC[C@H]1CCO[C@@H]1[*:1]
COc1ccc(OC)c(N2C[C@@H](C(=O)NCCc3ccc[nH]3)CC2=O)c1 c1c[nH]c(c1)CC[*:1] COc1ccc(OC)c(c1)N1C[C@H](CC1=O)C(=O)N[*:1]
COc1ccc(OC)c(N2C[C@@H](C(=O)NCCc3ccc[nH]3)CC2=O)c1 c1c[nH]c(c1)[*:1] COc1ccc(OC)c(c1)N1C[C@H](CC1=O)C(=O)NCC[*:1]
COc1ccc(OC)c(N2C[C@@H](C(=O)NCCc3ccc[nH]3)CC2=O)c1 c1c[nH]c(c1)C[*:1] COc1ccc(OC)c(c1)N1C[C@H](CC1=O)C(=O)NC[*:1]
CS(=O)(=O)c1ccc(N[C@@H]2c3ccccc3C[C@H]2O)c([N+](=O)[O-])c1 CS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1N[C@@H]1c2ccccc2C[C@H]1O)[*:1]
CS(=O)(=O)c1ccc(N[C@@H]2c3ccccc3C[C@H]2O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc(N[C@@H]2c3ccccc3C[C@H]2O)c(c1)[*:1]
Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 Fc1ccccc1[*:1] Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCC(=O)N(C1)C[*:1]
Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 Fc1ccccc1C[*:1] Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCC(=O)N(C1)[*:1]
Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 Cc1nccn1[*:1] O=C(NCc1ccccc1[*:1])[C@@H]1CCC(=O)N(Cc2ccccc2F)C1
N#Cc1ccsc1NC(=O)c1ccc(COc2ccccc2F)o1 Fc1ccccc1[*:1] N#Cc1ccsc1NC(=O)c1ccc(CO[*:1])o1
N#Cc1ccsc1NC(=O)c1ccc(COc2ccccc2F)o1 N#Cc1ccsc1[*:1] O=C(N[*:1])c1ccc(COc2ccccc2F)o1
N#Cc1ccsc1NC(=O)c1ccc(COc2ccccc2F)o1 Fc1ccccc1O[*:1] N#Cc1ccsc1NC(=O)c1ccc(C[*:1])o1
CCc1nc([C@H]2C[C@@H]2C)nc(CC)c1CC[NH3+] C[C@H]1C[C@@H]1[*:1] CCc1nc(nc(CC)c1CC[NH3+])[*:1]
CCc1nc([C@H]2C[C@@H]2C)nc(CC)c1CC[NH3+] [NH3+]CC[*:1] CCc1nc(nc(CC)c1[*:1])[C@H]1C[C@@H]1C
Cc1nn(CCCNS(=O)(=O)c2ccc3ccccc3c2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] O=S(=O)(NCCC[*:1])c1ccc2ccccc2c1
COc1ccc2c(c1)sc1nc(-c3ccc(F)cc3)c(C)n12 Fc1ccc(cc1)[*:1] COc1ccc2c(c1)sc1nc(c(C)n12)[*:1]
COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc(C)c1 O=[N+]([O-])C=C[*:1] COc1cc(cc(Br)c1OC(=O)c1cccc(C)c1)[*:1]
COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OC(=O)[*:1]
COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc(C)c1 O=[N+]([O-])[*:1] COc1cc(C=C[*:1])cc(Br)c1OC(=O)c1cccc(C)c1
COc1ccc(OC)c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 c1cnn(c1)[*:1] COc1ccc(OC)c(c1)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
COc1ccc(OC)c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 FC(F)(F)[*:1] COc1ccc(OC)c(c1)C(=O)Nc1cc(ccc1-n1cccn1)[*:1]
CC(=O)N(C)c1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1 CC(=O)N(C)[*:1] O=C(CNc1ccc(cc1)[*:1])Nc1ccc(F)c(Cl)c1
CC(=O)N(C)c1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1 Fc1ccc(cc1Cl)[*:1] CC(=O)N(C)c1ccc(cc1)NCC(=O)N[*:1]
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N[*:1]
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccco1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)N[*:1])C(=O)NCc1ccco1
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccco1 CC(C)[*:1] O=C(Nc1ccccc1)N[C@H](C(=O)NCc1ccco1)[*:1]
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccco1 c1coc(c1)[*:1] CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NC[*:1]
CC(C)(C[NH2+]Cc1ccc2ccccc2n1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(C[NH2+]Cc1ccc2ccccc2n1)[*:1]
CC(C)Cn1nccc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccnn1C[*:1])c1cccs1
CC(C)Cn1nccc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C c1csc(c1)[*:1] CC(C)Cn1nccc1NC(=O)NC[C@H]([NH+](C)C)[*:1]
CC(C)Cn1nccc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccnn1[*:1])c1cccs1
COc1ccc(CCNCc2ccc(Cl)c(F)c2)cc1S(N)(=O)=O Fc1cc(ccc1Cl)[*:1] COc1ccc(cc1S(N)(=O)=O)CCNC[*:1]
COc1ccc(CCNCc2ccc(Cl)c(F)c2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])CCNCc1ccc(Cl)c(F)c1
Cc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 Brc1ccccc1[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
Cc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1Br
CCN(C(=O)c1nc(C2CC2)n2ccccc12)[C@H](C)c1cccc(OC)c1 C1CC1[*:1] CCN(C(=O)c1nc(n2ccccc12)[*:1])[C@H](C)c1cccc(c1)OC
CCN(C(=O)c1nc(C2CC2)n2ccccc12)[C@H](C)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(C(=O)c1nc(C2CC2)n2ccccc12)[C@H](C)[*:1]
O=C([O-])[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccccc1 C1CCC(C1)[*:1] O=C([O-])[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)[*:1]
O=C([O-])[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccccc1 O=C([O-])[*:1] O=C(C1CCCC1)N1C[C@H]([C@@H](C1)c1ccccc1)[*:1]
O=C([O-])[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1CN(C[C@@H]1[*:1])C(=O)C1CCCC1
O=C(CCC1=c2ccccc2=[NH+]C1)NN1C(=O)c2ccccc2N[C@@H]1SCc1ccc(Cl)cc1 Clc1ccc(cc1)CS[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)NN1C(=O)c2ccccc2N[C@H]1[*:1]
O=C(CCC1=c2ccccc2=[NH+]C1)NN1C(=O)c2ccccc2N[C@@H]1SCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)NN1C(=O)c2ccccc2N[C@@H]1S[*:1]
O=C(CCC1=c2ccccc2=[NH+]C1)NN1C(=O)c2ccccc2N[C@@H]1SCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)NN1C(=O)c2ccccc2N[C@@H]1SC[*:1]
O=C(NC1CCCCCC1)C1CCN(C(=O)[C@H]2Sc3ccccc3NC2=O)CC1 C1CCCC(CC1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@H]1Sc2ccccc2NC1=O
CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC(O)CC2)cc1 CCN(CC)C(=O)[*:1] O=C(C[NH+]1CCC(O)CC1)Nc1ccc(cc1)[*:1]
CN(CCOc1ccccc1)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 c1ccc(cc1)OCC[*:1] CN(C(=O)Nc1ccc(cc1)-c1nnnn1C1CC1)[*:1]
CN(CCOc1ccccc1)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 C1CC1n1nnnc1[*:1] CN(CCOc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CN(CCOc1ccccc1)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 c1ccc(cc1)OC[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)-c1nnnn1C1CC1
CN(CCOc1ccccc1)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)Nc1ccc(cc1)-c1nnnn1C1CC1
CN(CCOc1ccccc1)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 C1CC1[*:1] CN(CCOc1ccccc1)C(=O)Nc1ccc(cc1)-c1nnnn1[*:1]
CN(CCOc1ccccc1)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 c1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)Nc1ccc(cc1)-c1nnnn1C1CC1
O=C(COc1cccnc1[N+](=O)[O-])Nc1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(COc1cccnc1[N+](=O)[O-])Nc1ccccc1[*:1]
O=C(COc1cccnc1[N+](=O)[O-])Nc1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1cccnc1[N+](=O)[O-])Nc1ccccc1C[*:1]
O=C(COc1cccnc1[N+](=O)[O-])Nc1ccccc1Cc1ccccc1 O=[N+]([O-])[*:1] O=C(COc1cccnc1[*:1])Nc1ccccc1Cc1ccccc1
O=C(COc1cccnc1[N+](=O)[O-])Nc1ccccc1Cc1ccccc1 O=[N+]([O-])c1ncccc1[*:1] O=C(CO[*:1])Nc1ccccc1Cc1ccccc1
Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1 CC(C)[*:1] Cc1cccc(c1NS(=O)(=O)c1ccccc1)[*:1]
Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(c1NS(=O)(=O)[*:1])C(C)C
Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C#N)cc1C O=C([O-])[*:1] Cc1cc(ccc1NS(=O)(=O)c1ccc(C#N)cc1C)[*:1]
Cc1n[nH]cc1C[NH+]1CCC(c2cnn(C)c2)CC1 Cc1n[nH]cc1[*:1] Cn1cc(cn1)C1CC[NH+](CC1)C[*:1]
Cc1n[nH]cc1C[NH+]1CCC(c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] Cc1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
C[C@@H](CCc1cccc(F)c1)C(=O)NCC1([NH+](C)C)CCOCC1 Fc1cccc(c1)C[*:1] C[C@@H](C[*:1])C(=O)NCC1(CCOCC1)[NH+](C)C
C[C@@H](CCc1cccc(F)c1)C(=O)NCC1([NH+](C)C)CCOCC1 Fc1cccc(c1)[*:1] C[C@@H](CC[*:1])C(=O)NCC1(CCOCC1)[NH+](C)C
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3cc[nH]c3C)C2)c1 Cc1[nH]ccc1[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3cc[nH]c3C)C2)c1 CCOC(=O)[*:1] Cc1[nH]ccc1C(=O)N1CCC[C@H](C1)n1cc(cn1)[*:1]
COC[C@@H](C)NC(=O)c1cn2cc(-c3ccc(OC)cc3)n(C)c(=O)c2n1 COC[C@@H](C)NC(=O)[*:1] COc1ccc(cc1)-c1cn2cc(nc2c(=O)n1C)[*:1]
COC[C@@H](C)NC(=O)c1cn2cc(-c3ccc(OC)cc3)n(C)c(=O)c2n1 COc1ccc(cc1)[*:1] COC[C@@H](C)NC(=O)c1cn2cc(n(C)c(=O)c2n1)[*:1]
COC[C@@H](C)NC(=O)c1cn2cc(-c3ccc(OC)cc3)n(C)c(=O)c2n1 COC[C@@H](C)[*:1] COc1ccc(cc1)-c1cn2cc(nc2c(=O)n1C)C(=O)N[*:1]
COC[C@@H](C)NC(=O)c1cn2cc(-c3ccc(OC)cc3)n(C)c(=O)c2n1 COC[*:1] COc1ccc(cc1)-c1cn2cc(nc2c(=O)n1C)C(=O)N[C@H](C)[*:1]
CCN(C(=O)c1csc(Cc2ccc(C)cc2)n1)c1nc(C)cs1 Cc1ccc(cc1)C[*:1] CCN(C(=O)c1csc(n1)[*:1])c1nc(C)cs1
CCN(C(=O)c1csc(Cc2ccc(C)cc2)n1)c1nc(C)cs1 Cc1ccc(cc1)[*:1] CCN(C(=O)c1csc(C[*:1])n1)c1nc(C)cs1
CCN(C(=O)c1csc(Cc2ccc(C)cc2)n1)c1nc(C)cs1 Cc1csc(n1)[*:1] CCN(C(=O)c1csc(Cc2ccc(C)cc2)n1)[*:1]
O=C(CCc1ccsc1)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] O=C(CCc1ccsc1)N[C@H]1CC(=O)N(C1)C[*:1]
O=C(CCc1ccsc1)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 c1cc(cs1)[*:1] O=C(CC[*:1])N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1
O=C(CCc1ccsc1)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 c1cc(cs1)CC[*:1] O=C1C[C@@H](CN1CCc1ccc(F)cc1)NC(=O)[*:1]
O=C(CCc1ccsc1)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(CCc1ccsc1)N[C@H]1CC(=O)N(CC[*:1])C1
O=C(CCc1ccsc1)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 c1cc(cs1)C[*:1] O=C(C[*:1])N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1
COc1cccc(COc2c(F)cc(CC[NH3+])cc2F)c1 [NH3+]CC[*:1] COc1cccc(c1)COc1c(F)cc(cc1F)[*:1]
Cc1ccc2c(NC(=O)[C@@H]3CCCc4sc(NC(=O)c5ccc(Cl)cc5)nc43)cccc2n1 Cc1ccc2c(cccc2n1)[*:1] O=C(Nc1nc2c(CCC[C@H]2C(=O)N[*:1])s1)c1ccc(Cl)cc1
Cc1ccc2c(NC(=O)[C@@H]3CCCc4sc(NC(=O)c5ccc(Cl)cc5)nc43)cccc2n1 Clc1ccc(cc1)[*:1] Cc1ccc2c(cccc2n1)NC(=O)[C@@H]1CCCc2sc(nc21)NC(=O)[*:1]
Cc1ccc2c(NC(=O)[C@@H]3CCCc4sc(NC(=O)c5ccc(Cl)cc5)nc43)cccc2n1 O=C(N[*:1])c1ccc(Cl)cc1 Cc1ccc2c(cccc2n1)NC(=O)[C@@H]1CCCc2sc(nc21)[*:1]
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CC(=O)CO4)[C@H]13 COC(=O)[*:1] C[C@]12C[C@H]3O[C@@]34[C@H]([C@@H]1CC[C@@]21CC(=O)CO1)[C@@H](CC1=CC(=O)CC[C@@]14C)[*:1]
O=C(Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1)NCC(F)(F)F FC(F)(F)[*:1] O=C(Cc1ccc(cc1)NC(=O)Nc1ccc(cc1)C(F)(F)F)NC[*:1]
O=C(Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1)NCC(F)(F)F O=C(C[*:1])NCC(F)(F)F O=C(Nc1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)[*:1]
O=C(Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1)NCC(F)(F)F FC(F)(F)[*:1] O=C(Cc1ccc(cc1)NC(=O)Nc1ccc(cc1)[*:1])NCC(F)(F)F
O=C(Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] O=C(Nc1ccc(cc1)C[*:1])Nc1ccc(cc1)C(F)(F)F
O=C(Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(Cc1ccc(cc1)NC(=O)Nc1ccc(cc1)C(F)(F)F)N[*:1]
Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 C1CN(CCO1)C[*:1] Cc1cnc(nc1[C@@H]1CCCN(C1)C(=O)Cc1ccc2OCOc2c1)SC[*:1]
Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 C1CN(CCO1)CC[*:1] Cc1cnc(nc1[C@@H]1CCCN(C1)C(=O)Cc1ccc2OCOc2c1)S[*:1]
Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 c1cc2OCOc2cc1[*:1] Cc1cnc(nc1[C@@H]1CCCN(C1)C(=O)C[*:1])SCCN1CCOCC1
Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 C1CN(CCO1)[*:1] Cc1cnc(nc1[C@@H]1CCCN(C1)C(=O)Cc1ccc2OCOc2c1)SCC[*:1]
Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 C1CN(CCO1)CCS[*:1] Cc1cnc(nc1[C@@H]1CCCN(C1)C(=O)Cc1ccc2OCOc2c1)[*:1]
Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 c1cc2OCOc2cc1C[*:1] Cc1cnc(nc1[C@@H]1CCCN(C1)C(=O)[*:1])SCCN1CCOCC1
CCCC[C@@H](C)n1c(N)nc2cc(Br)cnc21 CCC[*:1] C[C@H](C[*:1])n1c(N)nc2cc(Br)cnc21
CCCC[C@@H](C)n1c(N)nc2cc(Br)cnc21 CCCC[*:1] C[C@@H](n1c(N)nc2cc(Br)cnc21)[*:1]
O=C([O-])CN(CC(=O)N1CCCCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CN(CC(=O)N1CCCCC1)[*:1]
O=C([O-])CN(CC(=O)N1CCCCC1)c1ccccc1 O=C([O-])[*:1] O=C(CN(C[*:1])c1ccccc1)N1CCCCC1
O=C([O-])CN(CC(=O)N1CCCCC1)c1ccccc1 O=C([O-])C[*:1] O=C(CN(c1ccccc1)[*:1])N1CCCCC1
CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)c2ccccc12 CC(=O)N[*:1] CN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Oc1ccc(c2ccccc12)[*:1]
COc1cc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2Cc2ccco2)ccc1O COc1cc(ccc1O)[*:1] COc1cccc2cc(oc12)C(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1[*:1]
COc1cc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2Cc2ccco2)ccc1O COc1cccc2cc(oc12)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccco1
COc1cc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2Cc2ccco2)ccc1O c1coc(c1)C[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)c2cc3cccc(OC)c3o2)=C([O-])C(=O)N1[*:1]
COc1cc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2Cc2ccco2)ccc1O c1coc(c1)[*:1] COc1cc(ccc1O)[C@H]1C(C(=O)c2cc3cccc(OC)c3o2)=C([O-])C(=O)N1C[*:1]
CCC[C@H]1C[C@H]1NC(=O)c1ccnc(F)c1 CCC[*:1] O=C(N[C@@H]1C[C@@H]1[*:1])c1ccnc(F)c1
COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cccc(Br)c2)CC1 Brc1cccc(c1)[*:1] COc1ccccc1N1CCN(CC1)S(=O)(=O)CCNC(=O)[*:1]
COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cccc(Br)c2)CC1 COc1ccccc1[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)[*:1])c1cccc(Br)c1
CCOC(=O)CC[C@H](C)Cl C[C@H](Cl)[*:1] CCOC(=O)CC[*:1]
C[C@H](CS)CO[C@@H](C)c1ccccc1 C[C@H](CS)[*:1] C[C@H](OC[*:1])c1ccccc1
COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)N(C)[C@@H](C)c1ccc(F)cc1)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1ccc(c(c1)C(=O)N(C)[C@@H](C)[*:1])[N+](=O)[O-]
C[C@@H](NC(=S)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=S)N[C@@H]1C2CN3CCN(C2)CC1(C3)c1ccccc1)[*:1]
C[C@@H](NC(=S)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=S)N[C@@H]1C2CN3CCN(C2)CC1(C3)[*:1])c1ccccc1
C[C@@H](NC(=S)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3)c1ccccc1 C[C@@H](c1ccccc1)[*:1] S=C(N[C@@H]1C2CN3CCN(C2)CC1(C3)c1ccccc1)N[*:1]
CCN(Cc1ccc2c(c1)OCO2)C(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2 c1cc2OCOc2cc1[*:1] CCN(C[*:1])C(=O)c1nc2[N-]S(=O)(=O)c3ccccc3-n2n1
CCN(Cc1ccc2c(c1)OCO2)C(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2 c1cc2OCOc2cc1C[*:1] CCN(C(=O)c1nc2[N-]S(=O)(=O)c3ccccc3-n2n1)[*:1]
CCOc1cccc(Nn2cccc2)n1 CCO[*:1] c1cc(nc(c1)[*:1])Nn1cccc1
Cc1cc2cc(C#N)c(NCCCNC(=O)C3CCC3)nc2cc1C C1CC(C1)[*:1] Cc1cc2cc(C#N)c(nc2cc1C)NCCCNC(=O)[*:1]
Cc1cc2cc(C#N)c(NCCCNC(=O)C3CCC3)nc2cc1C O=C(NC[*:1])C1CCC1 Cc1cc2cc(C#N)c(nc2cc1C)NCC[*:1]
Cc1cc2cc(C#N)c(NCCCNC(=O)C3CCC3)nc2cc1C O=C(N[*:1])C1CCC1 Cc1cc2cc(C#N)c(nc2cc1C)NCCC[*:1]
CC(C)c1cccc(N(C)C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1 Cn1cc(cn1)[*:1] CC(C)c1cccc(c1)N(C)C(=O)[C@@H](C)NS(=O)(=O)[*:1]
CC(C)c1cccc(N(C)C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1 CC(C)[*:1] C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)c1cccc(c1)[*:1]
C[C@H](C[NH2+][C@@H]1CCOc2ccc(Br)cc21)[S@](C)=O C[S@](=O)[*:1] C[C@H](C[NH2+][C@@H]1CCOc2ccc(Br)cc21)[*:1]
Cc1ccc(/C([O-])=N/S(=O)(=O)C[C@@H]2CCCCO2)c(F)c1 C1CC[C@H](OC1)[*:1] Cc1ccc(/C([O-])=N/S(=O)(=O)C[*:1])c(F)c1
Cc1ccc(/C([O-])=N/S(=O)(=O)C[C@@H]2CCCCO2)c(F)c1 C1CC[C@@H](C[*:1])OC1 Cc1ccc(/C([O-])=N/S(=O)(=O)[*:1])c(F)c1
FC(F)(F)c1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 FC(F)(F)[*:1] c1cc(ccc1C[NH2+]CC[C@H]1CCCO1)[*:1]
FC(F)(F)c1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] FC(F)(F)c1ccc(cc1)C[NH2+]CC[*:1]
FC(F)(F)c1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] FC(F)(F)c1ccc(cc1)C[NH2+]C[*:1]
O=C(C[NH+]1CCN(CN2CCOC2=S)CC1)Nc1ccccc1 S=C1OCCN1[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])Nc1ccccc1
O=C(C[NH+]1CCN(CN2CCOC2=S)CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)CN1CCOC1=S)N[*:1]
O=C(C[NH+]1CCN(CN2CCOC2=S)CC1)Nc1ccccc1 S=C1OCCN1C[*:1] O=C(C[NH+]1CCN(CC1)[*:1])Nc1ccccc1
CO[C@@H](C)C(=O)NCCOc1ccc(C)cc1 CO[C@@H](C)[*:1] Cc1ccc(cc1)OCCNC(=O)[*:1]
O=C(Nc1ccncc1)[C@H]1CCCN1C(=O)OCC(F)(F)F c1cc(ccn1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)OCC(F)(F)F
O=C(Nc1ccncc1)[C@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccncc1)[C@H]1CCCN1C(=O)OC[*:1]
O=C(Nc1ccncc1)[C@H]1CCCN1C(=O)OCC(F)(F)F FC(F)(F)C[*:1] O=C(Nc1ccncc1)[C@H]1CCCN1C(=O)O[*:1]
C[C@H](Nc1cc(Br)cc(F)c1C(N)=O)[C@@H](C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](Nc1cc(Br)cc(F)c1C(N)=O)[C@@H](C)[*:1]
C[C@H](Nc1cc(Br)cc(F)c1C(N)=O)[C@@H](C)N1CCOCC1 NC(=O)[*:1] C[C@H](Nc1cc(Br)cc(F)c1[*:1])[C@@H](C)N1CCOCC1
NC(=O)c1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] NC(=O)c1ccc(cc1)C(=O)NCCc1cccc(c1)[*:1]
NC(=O)c1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 NC(=O)[*:1] O=C(NCCc1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
C[C@]1(C(=O)N2CCC(CC(=O)[O-])CC2)CCC[NH2+]C1 O=C([O-])[*:1] C[C@@]1(CCC[NH2+]C1)C(=O)N1CCC(CC1)C[*:1]
C[C@]1(C(=O)N2CCC(CC(=O)[O-])CC2)CCC[NH2+]C1 O=C([O-])C[*:1] C[C@@]1(CCC[NH2+]C1)C(=O)N1CCC(CC1)[*:1]
CCCn1c(CN2C[C@H](C)O[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C CCC[*:1] C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2[*:1])C[C@H](C)O1
Cc1ccc(Sc2ccc(N3CCC(C(=O)N4CCN(c5cccc[nH+]5)CC4)CC3)nn2)cc1 Cc1ccc(cc1)[*:1] O=C(C1CCN(CC1)c1ccc(nn1)S[*:1])N1CCN(CC1)c1cccc[nH+]1
Cc1ccc(Sc2ccc(N3CCC(C(=O)N4CCN(c5cccc[nH+]5)CC4)CC3)nn2)cc1 Cc1ccc(cc1)S[*:1] O=C(C1CCN(CC1)c1ccc(nn1)[*:1])N1CCN(CC1)c1cccc[nH+]1
COC(=O)c1ccc(OS(=O)(=O)c2ccccc2-c2ccccc2)c(OC)c1 COC(=O)[*:1] COc1cc(ccc1OS(=O)(=O)c1ccccc1-c1ccccc1)[*:1]
COC(=O)c1ccc(OS(=O)(=O)c2ccccc2-c2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COC(=O)c1ccc(OS(=O)(=O)c2ccccc2[*:1])c(c1)OC
O=C(C[NH+]1CCCCC1)Nc1ncc(Cc2ccccc2Cl)s1 Clc1ccccc1[*:1] O=C(C[NH+]1CCCCC1)Nc1ncc(C[*:1])s1
Nc1nc2nc(CSc3nnnn3-c3cccc(Cl)c3)cc([O-])n2n1 Clc1cccc(c1)[*:1] Nc1nc2nc(cc([O-])n2n1)CSc1nnnn1[*:1]
CCC[C@@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)CCO1 CCC[*:1] Cc1nc([nH]c(=O)c1C(=O)N1CCO[C@@H](C1)[*:1])C(C)(C)C
CCC[C@@H]1CN(C(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)CCO1 CC(C)(C)[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1c(C)nc([nH]c1=O)[*:1]
O=c1/c(=C/c2cccs2)sc2nc([C@H]3COc4ccccc4O3)nn12 c1csc(c1)[*:1] O=c1c(=C[*:1])sc2nc(nn12)[C@H]1COc2ccccc2O1
CCCN(CCC)[C@H](C[NH3+])c1cc(F)ccc1F CCC[*:1] CCCN([C@H](C[NH3+])c1cc(F)ccc1F)[*:1]
Cc1nc2ccccc2n1CC1CC[NH+](CC(=O)N2CCOCC2)CC1 O=C(N1CCOCC1)[*:1] Cc1nc2ccccc2n1CC1CC[NH+](CC1)C[*:1]
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)NCCC(F)(F)F FC(F)(F)C[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)NC[*:1]
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)NCCC(F)(F)F FC(F)(F)[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)NCC[*:1]
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)NCCC(F)(F)F CC(C)(C)[*:1] C[C@H]1CN(C(=O)O[*:1])[C@H](C)CN1C(=O)NCCC(F)(F)F
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)NCCC(F)(F)F FC(F)(F)CC[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)N[*:1]
CC(C)CN1C[C@@H](C(=O)Nc2nc(-c3cccnc3)cs2)CC1=O c1cncc(c1)[*:1] CC(C)CN1C[C@H](CC1=O)C(=O)Nc1nc(cs1)[*:1]
CC(C)CN1C[C@@H](C(=O)Nc2nc(-c3cccnc3)cs2)CC1=O CC(C)C[*:1] O=C(Nc1nc(cs1)-c1cccnc1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)CN1C[C@@H](C(=O)Nc2nc(-c3cccnc3)cs2)CC1=O CC(C)[*:1] O=C(Nc1nc(cs1)-c1cccnc1)[C@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(S(=O)(=O)N(C)c2c(C)cc(C)c(S(=O)(=O)NCc3cccnc3)c2C)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)c1c(C)cc(C)c(c1C)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)N(C)c2c(C)cc(C)c(S(=O)(=O)NCc3cccnc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1N(C)S(=O)(=O)[*:1])S(=O)(=O)NCc1cccnc1
Cc1ccc(S(=O)(=O)N(C)c2c(C)cc(C)c(S(=O)(=O)NCc3cccnc3)c2C)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)c1c(C)cc(C)c(c1C)S(=O)(=O)NC[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)OC3CCCCC3)cnc21 C1CCC(CC1)[*:1] CCCn1c(=O)[nH]c(=O)c2cc(cnc21)C(=O)O[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)OC3CCCCC3)cnc21 CCC[*:1] O=C(OC1CCCCC1)c1cnc2c(c1)c(=O)[nH]c(=O)n2[*:1]
COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1nnc(C(C)(C)C)s1 CC(C)(C)[*:1] COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1nnc(s1)[*:1]
COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1nnc(C(C)(C)C)s1 COc1ccccc1[*:1] CC(C)(C)c1nnc(NC(=O)N2CCC[C@H]2C[*:1])s1
C[C@@H](CNC(=O)c1cccc(-n2nc([O-])ccc2=O)c1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)c1cccc(c1)-n1nc([O-])ccc1=O)[*:1]
C[C@@H](CNC(=O)c1cccc(-n2nc([O-])ccc2=O)c1)Oc1ccccc1 C[C@@H](Oc1ccccc1)[*:1] O=C(NC[*:1])c1cccc(c1)-n1nc([O-])ccc1=O
C[C@@H](CNC(=O)c1cccc(-n2nc([O-])ccc2=O)c1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1cccc(c1)-n1nc([O-])ccc1=O)O[*:1]
O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)[C@H]12 c1cncc(c1)[*:1] O=C1C[C@H](CC2=Nc3nc4ccccc4n3[C@@H]([C@H]12)[*:1])c1ccco1
O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)[C@H]12 c1coc(c1)[*:1] O=C1C[C@@H](CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)[C@H]12)[*:1]
CCc1cccc(CC)c1NC(=O)N1CCO[C@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CCc1cccc(CC)c1NC(=O)N1CCO[C@H](C1)[*:1]
C[C@@H](CC1CCOCC1)N[C@H](c1ccc(F)cc1)C(F)(F)F Fc1ccc(cc1)[*:1] C[C@@H](CC1CCOCC1)N[C@H](C(F)(F)F)[*:1]
C[C@@H](CC1CCOCC1)N[C@H](c1ccc(F)cc1)C(F)(F)F C1CC(CCO1)[*:1] C[C@@H](C[*:1])N[C@H](c1ccc(F)cc1)C(F)(F)F
C[C@@H](CC1CCOCC1)N[C@H](c1ccc(F)cc1)C(F)(F)F C1CC(CCO1)C[*:1] C[C@@H](N[C@H](c1ccc(F)cc1)C(F)(F)F)[*:1]
C[C@@H](CC1CCOCC1)N[C@H](c1ccc(F)cc1)C(F)(F)F FC(F)(F)[*:1] C[C@@H](CC1CCOCC1)N[C@H](c1ccc(F)cc1)[*:1]
COc1cc(OC)cc(C(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)c1 COc1cc(cc(c1)[*:1])OC O=C(NCc1cc(-c2ccccn2)n(n1)C1CCCC1)[*:1]
COc1cc(OC)cc(C(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)c1 C1CCC(C1)[*:1] COc1cc(cc(c1)C(=O)NCc1cc(-c2ccccn2)n(n1)[*:1])OC
COc1cc(OC)cc(C(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)c1 c1ccc(nc1)[*:1] COc1cc(cc(c1)C(=O)NCc1cc(n(n1)C1CCCC1)[*:1])OC
O=C(NCCc1ccccc1)c1nc(CS(=O)(=O)c2ccccc2)no1 c1ccc(cc1)CC[*:1] O=C(N[*:1])c1nc(CS(=O)(=O)c2ccccc2)no1
O=C(NCCc1ccccc1)c1nc(CS(=O)(=O)c2ccccc2)no1 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1nc(CS(=O)(=O)c2ccccc2)no1
O=C(NCCc1ccccc1)c1nc(CS(=O)(=O)c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(NCCc1ccccc1)c1nc(CS(=O)(=O)[*:1])no1
O=C(NCCc1ccccc1)c1nc(CS(=O)(=O)c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1nc(CS(=O)(=O)c2ccccc2)no1
C[C@@H]1Sc2ccc(S(=O)(=O)[C@@H](C)CC(=O)Nc3ccc(Cl)cc3)cc2NC1=O Clc1ccc(cc1)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)S(=O)(=O)[C@@H](C)CC(=O)N[*:1]
Cc1ccc(C)c(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1 O=C(NCc1ccc(F)cc1)[*:1] Cc1ccc(C)c(c1)CNC(=O)c1cc2C(=O)N(C)[C@](C)(Cn2n1)[*:1]
Cc1ccc(C)c(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1 Cc1ccc(C)c(c1)[*:1] CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1)C(=O)NC[*:1]
Cc1ccc(C)c(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1 Fc1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)CNC(=O)c1cc2C(=O)N(C)[C@@](C)(Cn2n1)C(=O)N[*:1]
Cc1ccc(C)c(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)CNC(=O)c1cc2C(=O)N(C)[C@@](C)(Cn2n1)C(=O)NC[*:1]
Cc1ccc(C)c(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1 Cc1ccc(C)c(c1)C[*:1] CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1)C(=O)N[*:1]
COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2F)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1F)[*:1]
COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2F)[NH+](C)C)cc1 Fc1ccc(Cl)cc1[*:1] COc1ccc(cc1)[C@H](CNC(=O)C(=O)N[*:1])[NH+](C)C
CC(C)CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 CC(C)CC[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)N[*:1]
CC(C)CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 CC(C)C[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)NC[*:1]
CC(C)CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 CC(C)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)NCC[*:1]
CCc1ccc(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)o1 Cc1ccccc1[*:1] CCc1ccc(o1)C(=O)N1C[C@H](C[C@H]1C)[*:1]
CCc1ccc(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)o1 CCc1ccc(o1)[*:1] Cc1ccccc1[C@@H]1C[C@@H](C)N(C1)C(=O)[*:1]
CCCCn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O CCC[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc1N(CCn12)c1ccc(F)cc1
CCCCn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O Fc1ccc(cc1)[*:1] CCCCn1c(=O)c2c(nc3N(CCn32)[*:1])n(C)c1=O
CCCCn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O CCCC[*:1] Cn1c(=O)n(c(=O)c2c1nc1N(CCn12)c1ccc(F)cc1)[*:1]
CN(C)c1cc([C@H]2CCCN(c3ncccn3)C2)cc[nH+]1 c1cnc(nc1)[*:1] CN(C)c1cc(cc[nH+]1)[C@H]1CCCN(C1)[*:1]
CN(C)c1cc([C@H]2CCCN(c3ncccn3)C2)cc[nH+]1 CN(C)[*:1] c1cnc(nc1)N1CCC[C@@H](C1)c1cc[nH+]c(c1)[*:1]
CCN(C(=O)c1cnc2ccc(C)cn2c1=O)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)c1cnc2ccc(C)cn2c1=O)[*:1]
CN(C)C(=O)c1ccc(CNC(=O)c2scnc2C2CC2)cc1 C1CC1[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)c1scnc1[*:1]
CN(C)C(=O)c1ccc(CNC(=O)c2scnc2C2CC2)cc1 CN(C)C(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1scnc1C1CC1
COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C(F)(F)F)cc3)n2)c1 FC(F)(F)[*:1] COc1cccc(c1)-c1cnnc(n1)-n1nc(C)c2c1NC(=O)C[C@H]2c1ccc(cc1)[*:1]
COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C(F)(F)F)cc3)n2)c1 FC(F)(F)c1ccc(cc1)[*:1] COc1cccc(c1)-c1cnnc(n1)-n1nc(C)c2c1NC(=O)C[C@@H]2[*:1]
COc1cccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C(F)(F)F)cc3)n2)c1 COc1cccc(c1)[*:1] Cc1nn(-c2nncc(n2)[*:1])c2NC(=O)C[C@@H](c3ccc(cc3)C(F)(F)F)c12
Cc1ccc(=O)n(CC(=O)N(C)[C@@H](C)Cc2ccsc2)n1 c1cc(cs1)[*:1] Cc1ccc(=O)n(CC(=O)N(C)[C@@H](C)C[*:1])n1
Cc1ccc(=O)n(CC(=O)N(C)[C@@H](C)Cc2ccsc2)n1 c1cc(cs1)C[*:1] Cc1ccc(=O)n(CC(=O)N(C)[C@@H](C)[*:1])n1
Cc1noc(C)c1S(=O)(=O)NCCOc1ccc(-c2ccco2)nn1 c1coc(c1)[*:1] Cc1noc(C)c1S(=O)(=O)NCCOc1ccc(nn1)[*:1]
Cc1noc(C)c1S(=O)(=O)NCCOc1ccc(-c2ccco2)nn1 Cc1noc(C)c1[*:1] O=S(=O)(NCCOc1ccc(nn1)-c1ccco1)[*:1]
CN(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 CN(C)c1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)Cc1ccccc1
CN(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 NC(=O)[*:1] CN(C)c1ccc(cc1)C(=O)Nc1sc2CN(CCc2c1[*:1])Cc1ccccc1
CN(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 c1ccc(cc1)[*:1] CN(C)c1ccc(cc1)C(=O)Nc1sc2CN(CCc2c1C(N)=O)C[*:1]
CN(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 CN(C)[*:1] NC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc2CN(CCc21)Cc1ccccc1
CN(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 c1ccc(cc1)C[*:1] CN(C)c1ccc(cc1)C(=O)Nc1sc2CN(CCc2c1C(N)=O)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)c2cccc3nsnc23)CC1 O=C(c1ccccc1)[*:1] O=C(c1cccc2nsnc12)N1CCC(CC1)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)c2cccc3nsnc23)CC1 c1ccc(cc1)[*:1] O=C(c1cccc2nsnc12)N1CCC(CC1)C(=O)[*:1]
Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)CCOc2ccccc2)[nH]n1 Cc1nn(C)c(C)c1[*:1] CN(CCOc1ccccc1)C(=O)c1cc(n[nH]1)[*:1]
Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)CCOc2ccccc2)[nH]n1 c1ccc(cc1)OC[*:1] Cc1nn(C)c(C)c1-c1cc([nH]n1)C(=O)N(C)C[*:1]
Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)CCOc2ccccc2)[nH]n1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1-c1cc([nH]n1)C(=O)N(C)CCO[*:1]
Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)CCOc2ccccc2)[nH]n1 c1ccc(cc1)O[*:1] Cc1nn(C)c(C)c1-c1cc([nH]n1)C(=O)N(C)CC[*:1]
CC(C)[C@H]1OCC[C@H]1CNC(=O)CSCC(F)(F)F CC(C)[*:1] O=C(CSCC(F)(F)F)NC[C@@H]1CCO[C@@H]1[*:1]
CC(C)[C@H]1OCC[C@H]1CNC(=O)CSCC(F)(F)F FC(F)(F)C[*:1] CC(C)[C@H]1OCC[C@H]1CNC(=O)CS[*:1]
CC(C)[C@H]1OCC[C@H]1CNC(=O)CSCC(F)(F)F FC(F)(F)CS[*:1] CC(C)[C@H]1OCC[C@H]1CNC(=O)C[*:1]
CC(C)[C@H]1OCC[C@H]1CNC(=O)CSCC(F)(F)F FC(F)(F)[*:1] CC(C)[C@H]1OCC[C@H]1CNC(=O)CSC[*:1]
CCSCC[C@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 CCSCC[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N(C)[C@@H](C)[*:1]
CCSCC[C@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 CCSC[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N(C)[C@@H](C)C[*:1]
CCSCC[C@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 CCS[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N(C)[C@@H](C)CC[*:1]
CCSCC[C@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 CCSCC[C@H](C)[*:1] C[C@@H]1Sc2ccc(cc2NC1=O)C(=O)N(C)[*:1]
Cc1cc(C(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)no1 O=C([O-])[*:1] Cc1cc(no1)C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CN(C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] CN(C(=O)COC(=O)Cc1ccccc1[*:1])[C@H]1CCS(=O)(=O)C1
COc1ccccc1CCNC(=O)[C@@H](c1ccccc1)n1cccc1 c1ccc(cc1)[*:1] COc1ccccc1CCNC(=O)[C@@H](n1cccc1)[*:1]
COc1ccccc1CCNC(=O)[C@@H](c1ccccc1)n1cccc1 c1ccn(c1)[*:1] COc1ccccc1CCNC(=O)[C@@H](c1ccccc1)[*:1]
COc1ccccc1CCNC(=O)[C@@H](c1ccccc1)n1cccc1 COc1ccccc1[*:1] O=C(NCC[*:1])[C@@H](c1ccccc1)n1cccc1
CC[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(C)C CC(C)[*:1] CC[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)[*:1]
CC[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(C)C CC[C@@H](C)NC(=O)[*:1] CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)[*:1]
CC[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(C)C CC[C@@H](C)[*:1] CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)N[*:1]
C[NH+]1CCN(S(=O)(=O)c2ccc(NCCc3c[nH]c4ccccc34)nc2)CC1 c1ccc2c(c[nH]c2c1)[*:1] C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(nc1)NCC[*:1]
O=c1nc(Nc2nccc(-c3ccccc3)n2)[nH]c2ccsc12 c1ccc(cc1)[*:1] O=c1nc(Nc2nccc(n2)[*:1])[nH]c2ccsc12
CN(CCc1cccs1)C(=O)CCc1ccc(Cl)s1 Clc1ccc(s1)[*:1] CN(CCc1cccs1)C(=O)CC[*:1]
CN(CCc1cccs1)C(=O)CCc1ccc(Cl)s1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)CCc1ccc(Cl)s1
CN(CCc1cccs1)C(=O)CCc1ccc(Cl)s1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)CCc1ccc(Cl)s1
CNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1Br COc1ccc(cc1)[*:1] CNC(=O)C(=C[*:1])NC(=O)c1ccccc1Br
CNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1Br Brc1ccccc1[*:1] CNC(=O)/C(=C/c1ccc(cc1)OC)NC(=O)[*:1]
CNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1Br CNC(=O)[*:1] COc1ccc(/C=C(\NC(=O)c2ccccc2Br)[*:1])cc1
O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc(Cl)ccc1O)C2 Oc1ccc(Cl)cc1[*:1] O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc(Cl)ccc1O)C2 C1CC(C1)[*:1] O=C(c1cc(Cl)ccc1O)N1C[C@H]2CC[C@@H]1CN(C2)C(=O)[*:1]
C[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccnc2)cs1 Clc1ccccc1[*:1] C[C@@H](NC(=O)[*:1])c1nc(cs1)-c1cccnc1
C[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] C[C@@H](NC(=O)c1ccccc1Cl)c1nc(cs1)[*:1]
Cc1nc(CN2CCN(C(=O)[C@@H]3CCO[C@@H]3C)CC2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(C(=O)[C@@H]3CCO[C@@H]3C)CC2)n[nH]1 Cc1nc(C[*:1])n[nH]1 C[C@H]1OCC[C@H]1C(=O)N1CCN(CC1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 Fc1cccc(c1)C[*:1] CNC(=O)[C@H](C)CN(C)C(=O)Nc1nnc(s1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 CNC(=O)[*:1] C[C@H](CN(C)C(=O)Nc1nnc(Cc2cccc(F)c2)s1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)Nc1nnc(Cc2cccc(F)c2)s1 Fc1cccc(c1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)Nc1nnc(C[*:1])s1
CC(C)[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc2c(c1)CCO2 C1CC1[*:1] CC(C)[C@H]([NH2+]CCNC(=O)[*:1])c1ccc2OCCc2c1
CC(C)[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc2c(c1)CCO2 O=C(NC[*:1])C1CC1 CC(C)[C@H]([NH2+]C[*:1])c1ccc2OCCc2c1
CC(C)[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc2c(c1)CCO2 O=C(N[*:1])C1CC1 CC(C)[C@H]([NH2+]CC[*:1])c1ccc2OCCc2c1
CC(C)[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc2c(c1)CCO2 CC(C)[*:1] O=C(NCC[NH2+][C@H](c1ccc2OCCc2c1)[*:1])C1CC1
C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 CC(C)(C)OC(=O)N[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(C[*:1])o1
C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 CC(C)(C)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(CNC(=O)O[*:1])o1
COCCC[NH+](C)CC1(CS)CC1 COCC[*:1] C[NH+](CC1(CS)CC1)C[*:1]
COCCC[NH+](C)CC1(CS)CC1 COC[*:1] C[NH+](CC[*:1])CC1(CS)CC1
C[C@H]1C[C@@H]1CN(C)[C@@H](C[NH3+])c1cncn1C1CC1 C[C@H]1C[C@@H]1C[*:1] CN([C@@H](C[NH3+])c1cncn1C1CC1)[*:1]
C[C@H]1C[C@@H]1CN(C)[C@@H](C[NH3+])c1cncn1C1CC1 C[C@H]1C[C@H]1[*:1] CN(C[*:1])[C@@H](C[NH3+])c1cncn1C1CC1
C[C@H]1C[C@@H]1CN(C)[C@@H](C[NH3+])c1cncn1C1CC1 C1CC1[*:1] C[C@H]1C[C@@H]1CN(C)[C@@H](C[NH3+])c1cncn1[*:1]
CC(C)CC1=NN=C2CCN(C(=O)c3ccc4c(c3)CCO4)C[C@H]21 CC(C)[*:1] O=C(c1ccc2OCCc2c1)N1CCC2=NN=C(C[*:1])[C@@H]2C1
CC(C)CC1=NN=C2CCN(C(=O)c3ccc4c(c3)CCO4)C[C@H]21 CC(C)C[*:1] O=C(c1ccc2OCCc2c1)N1CCC2=NN=C([C@@H]2C1)[*:1]
Cc1cc(C(=O)NCC(C)(C)C[NH+](C)C)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)NCC(C)(C)C[NH+](C)C)c(C)n1[*:1]
Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OCC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1cc(cc1C(=O)OCC(=O)[*:1])S(=O)(=O)N1CCCC1
Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OCC(=O)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] Cn1cc(cc1C(=O)OC[*:1])S(=O)(=O)N1CCCC1
Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OCC(=O)c1ccc(F)cc1 O=S(=O)(N1CCCC1)[*:1] Cn1cc(cc1C(=O)OCC(=O)c1ccc(F)cc1)[*:1]
CC[C@H](C)NC(=O)CCNc1snc(C)c1C(C)=O CC[C@H](C)[*:1] CC(=O)c1c(C)nsc1NCCC(=O)N[*:1]
CC[C@H](C)NC(=O)CCNc1snc(C)c1C(C)=O CC(=O)[*:1] CC[C@H](C)NC(=O)CCNc1snc(C)c1[*:1]
Cc1ccc(C)c(CSc2nnc(C3CC3)n2Cc2ccco2)c1 Cc1ccc(C)c(c1)[*:1] c1coc(c1)Cn1c(nnc1C1CC1)SC[*:1]
Cc1ccc(C)c(CSc2nnc(C3CC3)n2Cc2ccco2)c1 c1coc(c1)C[*:1] Cc1ccc(C)c(c1)CSc1nnc(C2CC2)n1[*:1]
Cc1ccc(C)c(CSc2nnc(C3CC3)n2Cc2ccco2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)CSc1nnc(n1Cc1ccco1)[*:1]
Cc1ccc(C)c(CSc2nnc(C3CC3)n2Cc2ccco2)c1 c1coc(c1)[*:1] Cc1ccc(C)c(c1)CSc1nnc(C2CC2)n1C[*:1]
CCCc1noc(CS(=O)(=O)Cc2cc(-c3ccccc3)on2)n1 CCCc1noc(n1)[*:1] O=S(=O)(Cc1cc(on1)-c1ccccc1)C[*:1]
CCCc1noc(CS(=O)(=O)Cc2cc(-c3ccccc3)on2)n1 CCC[*:1] O=S(=O)(Cc1cc(on1)-c1ccccc1)Cc1nc(no1)[*:1]
CCCc1noc(CS(=O)(=O)Cc2cc(-c3ccccc3)on2)n1 c1ccc(cc1)[*:1] CCCc1noc(CS(=O)(=O)Cc2cc(on2)[*:1])n1
CCN(C[C@@H]1COc2ccccc2O1)C(=O)CCC(C)C CC(C)[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)CC[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)CCC(C)C CC(C)C[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)CCC(C)C CC(C)CC[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)[*:1]
Cc1nc(CC(=O)NCc2cc(-c3cccc(F)c3)no2)c(C)s1 Cc1nc(c(C)s1)[*:1] O=C(C[*:1])NCc1cc(no1)-c1cccc(F)c1
Cc1nc(CC(=O)NCc2cc(-c3cccc(F)c3)no2)c(C)s1 Fc1cccc(c1)[*:1] Cc1nc(CC(=O)NCc2cc(no2)[*:1])c(C)s1
Cc1nc(CC(=O)NCc2cc(-c3cccc(F)c3)no2)c(C)s1 Cc1nc(C[*:1])c(C)s1 O=C(NCc1cc(no1)-c1cccc(F)c1)[*:1]
CCCCC(=O)Nc1c(-c2ccc3c(c2)OCO3)c(=O)c2ccccc2n1C CCC[*:1] Cn1c(NC(=O)C[*:1])c(-c2ccc3OCOc3c2)c(=O)c2ccccc21
CCCCC(=O)Nc1c(-c2ccc3c(c2)OCO3)c(=O)c2ccccc2n1C CCCC[*:1] Cn1c(NC(=O)[*:1])c(-c2ccc3OCOc3c2)c(=O)c2ccccc21
CCCCC(=O)Nc1c(-c2ccc3c(c2)OCO3)c(=O)c2ccccc2n1C CCCCC(=O)N[*:1] Cn1c(c(-c2ccc3OCOc3c2)c(=O)c2ccccc21)[*:1]
CCCCC(=O)Nc1c(-c2ccc3c(c2)OCO3)c(=O)c2ccccc2n1C c1cc2OCOc2cc1[*:1] CCCCC(=O)Nc1c(c(=O)c2ccccc2n1C)[*:1]
CN(C(=O)c1csc(-c2ccccc2F)n1)C1(C#N)CCC1 N#CC1(CCC1)[*:1] CN(C(=O)c1csc(n1)-c1ccccc1F)[*:1]
CN(C(=O)c1csc(-c2ccccc2F)n1)C1(C#N)CCC1 Fc1ccccc1[*:1] CN(C(=O)c1csc(n1)[*:1])C1(C#N)CCC1
CC(C)[C@H]1CSC(N[C@H]2CC2(C)C)=[NH+]1 CC(C)[*:1] CC1(C)C[C@@H]1NC1=[NH+][C@H](CS1)[*:1]
O=C(Nc1ccccc1Br)c1cc(=O)c2ccccc2o1 Brc1ccccc1[*:1] O=C(N[*:1])c1cc(=O)c2ccccc2o1
COC[C@H](O)CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 COC[C@H](O)[*:1] Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[*:1]
COC[C@H](O)CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 COC[*:1] O[C@H](CC[NH2+][C@H]1CCCOc2cc(Br)ccc21)[*:1]
COC[C@H](O)CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 COC[C@H](O)C[*:1] Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[*:1]
CC[C@H](C(=O)N1CCC(NC(=O)[C@H]2CCO[C@@H]2C)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCC(CC1)NC(=O)[C@H]1CCO[C@@H]1C)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nnc(COc4ccccc4F)s3)cc12 c1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)Nc1nnc(COc2ccccc2F)s1)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nnc(COc4ccccc4F)s3)cc12 Fc1ccccc1O[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)Nc1nnc(C[*:1])s1
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nnc(COc4ccccc4F)s3)cc12 Fc1ccccc1[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)Nc1nnc(CO[*:1])s1
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nnc(COc4ccccc4F)s3)cc12 Fc1ccccc1OC[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)Nc1nnc(s1)[*:1]
COc1ncccc1C(=O)N1CCC2=NN=C(Cc3cccs3)[C@H]2C1 c1csc(c1)[*:1] COc1ncccc1C(=O)N1CCC2=NN=C(C[*:1])[C@H]2C1
COc1ncccc1C(=O)N1CCC2=NN=C(Cc3cccs3)[C@H]2C1 c1csc(c1)C[*:1] COc1ncccc1C(=O)N1CCC2=NN=C([C@H]2C1)[*:1]
COc1ncccc1C(=O)N1CCC2=NN=C(Cc3cccs3)[C@H]2C1 COc1ncccc1[*:1] O=C(N1CCC2=NN=C(Cc3cccs3)[C@H]2C1)[*:1]
CCc1ncc(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)s1 CCc1ncc(C[*:1])s1 O=C(c1ccc(F)cc1Cl)N1CCN(CC1)[*:1]
CCc1ncc(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)s1 CCc1ncc(s1)[*:1] O=C(c1ccc(F)cc1Cl)N1CCN(CC1)C[*:1]
CCc1ncc(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)s1 Fc1ccc(c(Cl)c1)[*:1] CCc1ncc(CN2CCN(CC2)C(=O)[*:1])s1
C[C@H](CS(C)(=O)=O)N(CC(C)(C)S(C)(=O)=O)C1CC1 CS(=O)(=O)C[*:1] C[C@H](N(CC(C)(C)S(C)(=O)=O)C1CC1)[*:1]
C[C@H](CS(C)(=O)=O)N(CC(C)(C)S(C)(=O)=O)C1CC1 CS(=O)(=O)[*:1] C[C@H](C[*:1])N(CC(C)(C)S(C)(=O)=O)C1CC1
C[C@H](CS(C)(=O)=O)N(CC(C)(C)S(C)(=O)=O)C1CC1 C1CC1[*:1] C[C@H](CS(C)(=O)=O)N(CC(C)(C)S(C)(=O)=O)[*:1]
C[C@H](CS(C)(=O)=O)N(CC(C)(C)S(C)(=O)=O)C1CC1 CS(=O)(=O)[*:1] C[C@H](CS(C)(=O)=O)N(CC(C)(C)[*:1])C1CC1
O=C(Cc1ccc(F)cc1)N[C@H]1CCN(c2ccccc2)C1=O Fc1ccc(cc1)[*:1] O=C(C[*:1])N[C@H]1CCN(C1=O)c1ccccc1
O=C(Cc1ccc(F)cc1)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)N[C@H]1CCN(C1=O)[*:1]
Cc1ccsc1CNC(=O)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccsc1CNC(=O)c1ccc(cc1)O[*:1]
Cc1ccsc1CNC(=O)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccsc1CNC(=O)c1ccc(cc1)OC[*:1]
Cc1ccsc1CNC(=O)c1ccc(OCc2ccccc2)cc1 Cc1ccsc1[*:1] O=C(NC[*:1])c1ccc(cc1)OCc1ccccc1
Cc1ccsc1CNC(=O)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] Cc1ccsc1CNC(=O)c1ccc(cc1)[*:1]
Cc1ccsc1CNC(=O)c1ccc(OCc2ccccc2)cc1 Cc1ccsc1C[*:1] O=C(N[*:1])c1ccc(cc1)OCc1ccccc1
C=CCCO[C@@H]1CCC[C@@H]([NH3+])C1 C=CCC[*:1] [NH3+][C@@H]1CCC[C@H](C1)O[*:1]
C=CCCO[C@@H]1CCC[C@@H]([NH3+])C1 C=CC[*:1] [NH3+][C@@H]1CCC[C@H](C1)OC[*:1]
C[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCO1)c1ccc(-n2cncn2)cc1 C1CO[C@@H](C1)CO[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])c1ccc(cc1)-n1cncn1
C[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCO1)c1ccc(-n2cncn2)cc1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)[C@@H](C)OC[*:1])c1ccc(cc1)-n1cncn1
C[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCO1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCO1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCO1)c1ccc(-n2cncn2)cc1 C1CO[C@@H](C1)C[*:1] C[C@H](NC(=O)[C@@H](C)O[*:1])c1ccc(cc1)-n1cncn1
Cc1nnc(N/N=C/c2ccc(Br)o2)nc1N/N=C/c1ccc(Br)o1 Brc1ccc(o1)[*:1] Cc1nnc(nc1NN=C[*:1])N/N=C/c1ccc(Br)o1
Cc1nnc(N/N=C/c2ccc(Br)o2)nc1N/N=C/c1ccc(Br)o1 Brc1ccc(o1)[*:1] Cc1nnc(nc1N/N=C/c1ccc(Br)o1)NN=C[*:1]
C[C@@H]1Cc2ccccc2[C@H]1NCCc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@@H]1Cc2ccccc2[C@H]1NCCc1nnc(o1)[*:1]
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccccc2)N1c1ccccn1
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1[*:1])c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 c1ccc(nc1)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccccc1)[*:1])c1ccc2OCCOc2c1
[NH3+][C@H]1CCCC[C@@H]1NC(=O)Cc1ccsc1 c1cc(cs1)[*:1] [NH3+][C@H]1CCCC[C@@H]1NC(=O)C[*:1]
C=C(C)CN(C)C(=O)CN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1Cl)NC(=O)N2CC C=C(C)CN(C)C(=O)[*:1] CCN1C(=O)N[C@@H](C2C(=O)N(CC=21)C[*:1])c1ccc(Cl)cc1Cl
C=C(C)CN(C)C(=O)CN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1Cl)NC(=O)N2CC C=C(C)C[*:1] CCN1C(=O)N[C@@H](C2C(=O)N(CC(=O)N(C)[*:1])CC=21)c1ccc(Cl)cc1Cl
C=C(C)CN(C)C(=O)CN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1Cl)NC(=O)N2CC C=C(C)[*:1] CCN1C(=O)N[C@@H](C2C(=O)N(CC(=O)N(C)C[*:1])CC=21)c1ccc(Cl)cc1Cl
C=C(C)CN(C)C(=O)CN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1Cl)NC(=O)N2CC C=C(C)CN(C)C(=O)C[*:1] CCN1C(=O)N[C@@H](C2C(=O)N(CC=21)[*:1])c1ccc(Cl)cc1Cl
C=C(C)CN(C)C(=O)CN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1Cl)NC(=O)N2CC Clc1ccc(c(Cl)c1)[*:1] C=C(C)CN(C)C(=O)CN1CC2=C(C1=O)[C@@H](NC(=O)N2CC)[*:1]
COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4cccc(O)c4)nn32)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)[C@H]1C(C(=O)N[*:1])=C(C)Nc2nc(nn21)-c1cccc(O)c1
COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4cccc(O)c4)nn32)cc1 COc1ccc(cc1)[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1cccnc1)[*:1])-c1cccc(O)c1
COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4cccc(O)c4)nn32)cc1 Oc1cccc(c1)[*:1] COc1ccc(cc1)[C@H]1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(nn21)[*:1]
COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4cccc(O)c4)nn32)cc1 O=C(Nc1cccnc1)[*:1] COc1ccc(cc1)[C@H]1C(=C(C)Nc2nc(nn21)-c1cccc(O)c1)[*:1]
O=C(Nc1cccnc1)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] O=C(Nc1cccnc1)c1ccc(cc1)[*:1]
O=C(Nc1cccnc1)c1ccc(-c2cscn2)cc1 c1cncc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)-c1cscn1
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)Nc1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O)[*:1]
CC[C@@H](O)CCc1cc(Cl)ccc1[N+](=O)[O-] CC[C@@H](O)[*:1] O=[N+]([O-])c1ccc(Cl)cc1CC[*:1]
CC[C@@H](O)CCc1cc(Cl)ccc1[N+](=O)[O-] CC[C@@H](O)C[*:1] O=[N+]([O-])c1ccc(Cl)cc1C[*:1]
CC[C@@H](O)CCc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H](O)CCc1cc(Cl)ccc1[*:1]
O=S(=O)(c1cccs1)N1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1 c1csc(c1)[*:1] O=S(=O)(N1CCN(CC1)Cc1c(F)c(F)c(F)c(F)c1F)[*:1]
C[NH+](C)CC1CCN([C@@H](C[NH3+])CC(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] C[NH+](C)CC1CCN(CC1)[C@@H](C[NH3+])CC(=O)N[*:1]
C[NH+](C)CC1CCN([C@@H](C[NH3+])CC(=O)NC(C)(C)C)CC1 CC(C)(C)NC(=O)[*:1] C[NH+](C)CC1CCN(CC1)[C@@H](C[NH3+])C[*:1]
Cc1ccc(CN(C)C(=O)C[NH+](C)Cc2nccn2C(F)F)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)C[NH+](C)Cc1nccn1C(F)F
Cc1ccc(CN(C)C(=O)C[NH+](C)Cc2nccn2C(F)F)o1 FC(F)[*:1] Cc1ccc(CN(C)C(=O)C[NH+](C)Cc2nccn2[*:1])o1
Cc1ccc(CN(C)C(=O)C[NH+](C)Cc2nccn2C(F)F)o1 Cc1ccc(C[*:1])o1 CN(C(=O)C[NH+](C)Cc1nccn1C(F)F)[*:1]
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2)CC1 CC[C@H](C)[*:1] C[C@H](C(=O)Nc1ccccc1[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2)CC1 CC[C@H](C)c1ccccc1[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 Cc1noc(C)c1[*:1] C[C@H](C[*:1])C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1
Cc1noc(C)c1C[C@@H](C)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1C[C@@H](C)C(=O)N1CCC[C@H]1[C@@H](C#N)[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 Cc1noc(C)c1C[*:1] C[C@@H](C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[*:1]
CNC(=O)c1cc(C2CCN(C(=O)C3CCCCC3)CC2)ncn1 CNC(=O)[*:1] O=C(C1CCCCC1)N1CCC(CC1)c1cc(ncn1)[*:1]
CNC(=O)c1cc(C2CCN(C(=O)C3CCCCC3)CC2)ncn1 C1CCC(CC1)[*:1] CNC(=O)c1cc(ncn1)C1CCN(CC1)C(=O)[*:1]
Cc1nccn1-c1cccc([C@@H]2CCC[NH2+]C2)n1 Cc1nccn1[*:1] c1cc(nc(c1)[*:1])[C@@H]1CCC[NH2+]C1
COc1cc(Br)c([C@@H](O)C(F)(F)C(F)F)cc1OC FC(F)C(F)(F)[*:1] COc1cc(Br)c(cc1OC)[C@@H](O)[*:1]
COc1cc(Br)c([C@@H](O)C(F)(F)C(F)F)cc1OC FC(F)[*:1] COc1cc(Br)c(cc1OC)[C@@H](O)C(F)(F)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)o3)C2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)N1CCC[C@@H](C1)c1nnc(o1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)o3)C2)s1 Cc1ccc(s1)[*:1] O=C(N1CCC[C@@H](C1)c1nnc(o1)-c1ccccc1)[*:1]
C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1[C@@H](C)c1ccccc1F Fc1ccccc1[*:1] C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1[C@@H](C)[*:1]
C/C(O)=N/c1nc(Sc2ccc([N+](=O)[O-])cc2)n[n-]1 O=[N+]([O-])[*:1] C/C(O)=N/c1nc(n[n-]1)Sc1ccc(cc1)[*:1]
C/C(O)=N/c1nc(Sc2ccc([N+](=O)[O-])cc2)n[n-]1 CC(O)=N[*:1] O=[N+]([O-])c1ccc(cc1)Sc1n[n-]c(n1)[*:1]
Cc1nc([O-])c2c(n1)C[NH+](Cc1cccn1Cc1ccccc1F)CC2 Fc1ccccc1C[*:1] Cc1nc([O-])c2CC[NH+](Cc2n1)Cc1cccn1[*:1]
Cc1nc([O-])c2c(n1)C[NH+](Cc1cccn1Cc1ccccc1F)CC2 Fc1ccccc1[*:1] Cc1nc([O-])c2CC[NH+](Cc2n1)Cc1cccn1C[*:1]
CC(C)c1nc(COc2ccc(Oc3ccccn3)cc2)no1 c1ccc(nc1)O[*:1] CC(C)c1nc(COc2ccc(cc2)[*:1])no1
CC(C)c1nc(COc2ccc(Oc3ccccn3)cc2)no1 c1ccc(nc1)[*:1] CC(C)c1nc(COc2ccc(cc2)O[*:1])no1
CC(C)c1nc(COc2ccc(Oc3ccccn3)cc2)no1 CC(C)[*:1] c1ccc(nc1)Oc1ccc(cc1)OCc1noc(n1)[*:1]
CC[C@H](C(=O)[O-])N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O O=[N+]([O-])[*:1] CC[C@H](C(=O)[O-])N1C(=O)c2ccc(cc2C1=O)[*:1]
CC[C@H](C(=O)[O-])N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O O=C([O-])[*:1] CC[C@H](N1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-])[*:1]
CCOc1ccccc1CNC(=O)c1ccc2c(c1)N(C)CCS2 CCO[*:1] CN1CCSc2ccc(cc21)C(=O)NCc1ccccc1[*:1]
CCC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(SC)cc1 CCC[*:1] CSc1ccc(cc1)[C@H]1CC[NH2+]C[C@H]1[*:1]
CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 CSC[*:1] CC1NC(=O)N[C@H](C=1C(=O)OC[*:1])c1cccc(c1)[N+](=O)[O-]
CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(c1)[*:1]
CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 CSCC[*:1] CC1NC(=O)N[C@H](C=1C(=O)O[*:1])c1cccc(c1)[N+](=O)[O-]
CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 CSCCOC(=O)[*:1] CC1NC(=O)N[C@H](C=1[*:1])c1cccc(c1)[N+](=O)[O-]
CC(C)CNC(=O)c1cccnc1OCC(C)C CC(C)C[*:1] CC(C)CNC(=O)c1cccnc1O[*:1]
CC(C)CNC(=O)c1cccnc1OCC(C)C CC(C)[*:1] CC(C)CNC(=O)c1cccnc1OC[*:1]
CC(C)CNC(=O)c1cccnc1OCC(C)C CC(C)C[*:1] CC(C)COc1ncccc1C(=O)N[*:1]
CC(C)CNC(=O)c1cccnc1OCC(C)C CC(C)CO[*:1] CC(C)CNC(=O)c1cccnc1[*:1]
CC(C)CNC(=O)c1cccnc1OCC(C)C CC(C)[*:1] CC(C)COc1ncccc1C(=O)NC[*:1]
COCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 COCC[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccc(Cl)cc1
COCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 COC[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)c1ccc(Cl)cc1
COCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COCCNC(=O)c1ccc(cc1)NC(=O)[*:1]
COCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 COCCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
Cc1ncn(C[C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1C Cc1ncn(c1C)[*:1] C[C@@H](C[*:1])[NH2+]C[C@@H]1CCN(C1)c1ccccc1
Cc1ncn(C[C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c1C c1ccc(cc1)[*:1] Cc1ncn(C[C@H](C)[NH2+]C[C@@H]2CCN(C2)[*:1])c1C
Cc1cc(C)c(NC(=O)c2cccc(C(=O)N3CCCC3)n2)c(Cl)n1 O=C(N1CCCC1)[*:1] Cc1cc(C)c(NC(=O)c2cccc(n2)[*:1])c(Cl)n1
COC[C@@H](C)[NH+]1CCN([C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1 COC[*:1] Cc1ccc(cc1)N1CC[C@H](C1=O)N1CC[NH+](CC1)[C@H](C)[*:1]
COC[C@@H](C)[NH+]1CCN([C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1 Cc1ccc(cc1)[*:1] COC[C@@H](C)[NH+]1CCN(CC1)[C@@H]1CCN(C1=O)[*:1]
CCC[C@H](C)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 CCC[C@H](C)[*:1] C1C[C@@H]2CO[C@@H](C[NH2+][*:1])CN2C1
CCC[C@H](C)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 CCC[*:1] C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)[*:1]
COCCN1C(N)=[NH+]C[C@H]1c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)[C@@H]1C[NH+]=C(N)N1C[*:1]
COCCN1C(N)=[NH+]C[C@H]1c1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)[C@@H]1C[NH+]=C(N)N1[*:1]
COC(=O)c1cccc(NC(=O)C2CCC(C[NH3+])CC2)c1 COC(=O)[*:1] [NH3+]CC1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](CNC(=O)N[C@H](C)C(=O)NC(C)(C)C)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@@H](NC(=O)NC[C@@H](C)[*:1])C(=O)NC(C)(C)C
C[C@H](CNC(=O)N[C@H](C)C(=O)NC(C)(C)C)Oc1ccccc1F CC(C)(C)[*:1] C[C@H](CNC(=O)N[C@H](C)C(=O)N[*:1])Oc1ccccc1F
C[C@H](CNC(=O)N[C@H](C)C(=O)NC(C)(C)C)Oc1ccccc1F CC(C)(C)NC(=O)[*:1] C[C@H](CNC(=O)N[C@H](C)[*:1])Oc1ccccc1F
C[C@H](CNC(=O)N[C@H](C)C(=O)NC(C)(C)C)Oc1ccccc1F Fc1ccccc1[*:1] C[C@H](CNC(=O)N[C@H](C)C(=O)NC(C)(C)C)O[*:1]
O=C(Nc1ccccc1Oc1ccccc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 c1cn(cn1)[*:1] O=C(Nc1ccccc1Oc1ccccc1)C1CCN(CC1)c1cc(ncn1)[*:1]
O=C(Nc1ccccc1Oc1ccccc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1O[*:1])C1CCN(CC1)c1cc(ncn1)-n1ccnc1
O=C(Nc1ccccc1Oc1ccccc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 c1ccc(cc1)O[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)c1cc(ncn1)-n1ccnc1
C[C@@H](Cn1cccn1)C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 c1cnn(c1)C[*:1] C[C@@H](C(=O)N1CCC(CC1)c1[nH+]ccn1Cc1ccncc1)[*:1]
C[C@@H](Cn1cccn1)C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 c1cc(ccn1)[*:1] C[C@@H](Cn1cccn1)C(=O)N1CCC(CC1)c1[nH+]ccn1C[*:1]
C[C@@H](Cn1cccn1)C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] C[C@@H](Cn1cccn1)C(=O)N1CCC(CC1)c1[nH+]ccn1[*:1]
C[C@@H](Cn1cccn1)C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 c1cnn(c1)[*:1] C[C@@H](C[*:1])C(=O)N1CCC(CC1)c1[nH+]ccn1Cc1ccncc1
C[C@@H](Cn1cccn1)C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 C[C@@H](Cn1cccn1)[*:1] O=C(N1CCC(CC1)c1[nH+]ccn1Cc1ccncc1)[*:1]
CC[NH2+][C@@H]1CCCC[C@@H]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 CS(=O)(=O)[*:1] CC[NH2+][C@@H]1CCCC[C@H](C1)[C@@H]1CCC[C@H](C1)[*:1]
C[C@H](c1cn(-c2ccccc2)nn1)N(C)Cc1nnc2ccccn12 c1ccc(cc1)[*:1] C[C@H](c1cn(nn1)[*:1])N(C)Cc1nnc2ccccn12
CC[C@@H](c1ncnc(OC)c1[N+](=O)[O-])[C@H](C)Cl O=[N+]([O-])[*:1] CC[C@@H](c1ncnc(OC)c1[*:1])[C@H](C)Cl
CC[C@@H](c1ncnc(OC)c1[N+](=O)[O-])[C@H](C)Cl C[C@H](Cl)[*:1] CC[C@@H](c1ncnc(OC)c1[N+](=O)[O-])[*:1]
CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)noc2C)c1C CCC[*:1] Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(NC(=O)[*:1])c1C
CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)noc2C)c1C Cc1noc(C)c1[*:1] CCCC(=O)Nc1cccc([N-]S(=O)(=O)[*:1])c1C
CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)noc2C)c1C CCCC(=O)N[*:1] Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(c1C)[*:1]
O=C1C(C[NH2+]CCc2ccccc2)=CC2=CC=C[C@@H]3CCN1[C@@H]23 c1ccc(cc1)C[*:1] O=C1C(=CC2=CC=C[C@@H]3CCN1[C@@H]23)C[NH2+]C[*:1]
O=C1C(C[NH2+]CCc2ccccc2)=CC2=CC=C[C@@H]3CCN1[C@@H]23 c1ccc(cc1)[*:1] O=C1C(=CC2=CC=C[C@@H]3CCN1[C@@H]23)C[NH2+]CC[*:1]
Cc1cccc2[nH]cc(CC(=O)N(C)[C@@H](C)Cc3cccs3)c12 c1csc(c1)C[*:1] Cc1cccc2[nH]cc(CC(=O)N(C)[C@@H](C)[*:1])c12
Cc1cccc2[nH]cc(CC(=O)N(C)[C@@H](C)Cc3cccs3)c12 c1csc(c1)[*:1] Cc1cccc2[nH]cc(CC(=O)N(C)[C@@H](C)C[*:1])c12
Cn1ccnc1SCc1csc(Nc2ccccc2)n1 Cn1ccnc1[*:1] c1ccc(cc1)Nc1nc(cs1)CS[*:1]
Cn1ccnc1SCc1csc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] Cn1ccnc1SCc1csc(n1)N[*:1]
CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1cc(Br)cs1 O=[N+]([O-])c1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2c1cc(Br)cs1)[*:1]
CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1cc(Br)cs1 Brc1csc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@@H]2[*:1])c1cccc(c1)[N+](=O)[O-]
CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1cc(Br)cs1 O=[N+]([O-])[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2c1cc(Br)cs1)c1cccc(c1)[*:1]
CC(C)CC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 CC(C)[*:1] O=C(Cc1ccccc1F)N1CCN(CC1)C(=O)C[*:1]
CC(C)CC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 CC(C)C[*:1] O=C(Cc1ccccc1F)N1CCN(CC1)C(=O)[*:1]
CC(C)CC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1[*:1] CC(C)CC(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1csc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)n1 Cc1csc(n1)[*:1] C1CC[NH+](CC1)C[C@@H]1CCN(C1)C[*:1]
Cc1cc(C)cc(CCNC(=O)N(C)[C@H](C)c2ccco2)c1 c1coc(c1)[*:1] Cc1cc(C)cc(c1)CCNC(=O)N(C)[C@H](C)[*:1]
O=C(NCC[C@H](O)c1ccco1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 c1coc(c1)[*:1] O=C(NCC[C@H](O)[*:1])C(=O)Nc1cc2CCCN3C(=O)Cc(c1)c23
C=CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(C#N)c2)cc1 C=CC[*:1] N#C/C(=C/c1ccc(cc1)O[*:1])C(=O)c1cccc(C#N)c1
C=CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(C#N)c2)cc1 C=CCO[*:1] N#C/C(=C/c1ccc(cc1)[*:1])C(=O)c1cccc(C#N)c1
C=CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(C#N)c2)cc1 N#Cc1cccc(c1)[*:1] C=CCOc1ccc(/C=C(/C#N)C(=O)[*:1])cc1
Cc1noc(C)c1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 Cc1noc(C)c1[*:1] CN(Cc1cn(nc1-c1ccccc1)-c1ccccc1)C(=O)CC[*:1]
Cc1noc(C)c1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1CCC(=O)N(C)Cc1cn(nc1-c1ccccc1)[*:1]
Cc1noc(C)c1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 Cc1noc(C)c1CC[*:1] CN(Cc1cn(nc1-c1ccccc1)-c1ccccc1)C(=O)[*:1]
Cc1noc(C)c1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1CCC(=O)N(C)Cc1cn(nc1[*:1])-c1ccccc1
Cc1noc(C)c1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 Cc1noc(C)c1C[*:1] CN(Cc1cn(nc1-c1ccccc1)-c1ccccc1)C(=O)C[*:1]
CC[C@@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1cccs1 Fc1cccc(c1)[*:1] CC[C@@H](N[C@H](c1ccccn1)[*:1])c1cccs1
CC[C@@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1cccs1 c1ccc(nc1)[*:1] CC[C@@H](N[C@H](c1cccc(F)c1)[*:1])c1cccs1
CC[C@@H](N[C@H](c1cccc(F)c1)c1ccccn1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](N[C@H](c1cccc(F)c1)c1ccccn1)[*:1]
C[C@H](NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CCOc1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1F CCO[*:1] Cc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 CC(C)[*:1] O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 CC(C)C(=O)N[*:1] O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(cc1)[*:1]
N#CCN1CCC(OC[C@H]2CCCCO2)CC1 N#CC[*:1] C1CC[C@H](COC2CCN(CC2)[*:1])OC1
Cc1ccccc1C(=O)NCCC(=O)NCC1CCC1 C1CC(C1)[*:1] Cc1ccccc1C(=O)NCCC(=O)NC[*:1]
Cc1ccccc1C(=O)NCCC(=O)NCC1CCC1 C1CC(C1)C[*:1] Cc1ccccc1C(=O)NCCC(=O)N[*:1]
CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2C(F)(F)F)C1 FC(F)(F)[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@H](C)c1ccccc1[*:1]
COc1cccc([C@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] COc1cccc(c1)[C@H]1[C@@H](C(=O)N1[*:1])N1C(=O)c2ccccc2C1=O
COc1cccc([C@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(C)c2)c1 COc1cccc(c1)[*:1] Cc1cccc(c1)N1C(=O)[C@H]([C@@H]1[*:1])N1C(=O)c2ccccc2C1=O
O=C(c1ccncc1)N1CCC[C@H](CCc2ccccc2)C1 c1cc(ccn1)[*:1] O=C(N1CCC[C@H](CCc2ccccc2)C1)[*:1]
O=C(c1ccncc1)N1CCC[C@H](CCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1ccncc1)N1CCC[C@@H](C1)C[*:1]
O=C(c1ccncc1)N1CCC[C@H](CCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccncc1)N1CCC[C@H](CC[*:1])C1
O=C(CNC(=O)c1csc2c1CCCC2)c1cccs1 c1csc(c1)[*:1] O=C(NCC(=O)[*:1])c1csc2CCCCc12
CCc1c(C(=O)Cn2c3c(sc2=O)CCCC3)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)Cn1c2CCCCc2sc1=O
CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H]2CCc3cc(F)ccc32)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N[C@@H]1CCc2cc(F)ccc21
O=C1N=C(S)N(C2CC2)C(=O)C1/C=N/Cc1ccc2c(c1)OCO2 C1CC1[*:1] O=C1N=C(S)N(C(=O)C1/C=N/Cc1ccc2OCOc2c1)[*:1]
CN(C[C@@H](O)CN1CCOCC1)C(=O)c1nccc2ccccc12 C1CN(CCO1)[*:1] CN(C[C@@H](O)C[*:1])C(=O)c1nccc2ccccc12
CN(C[C@@H](O)CN1CCOCC1)C(=O)c1nccc2ccccc12 C1CN(CCO1)C[*:1] CN(C[C@@H](O)[*:1])C(=O)c1nccc2ccccc12
Cc1c([C@H](C)NC(=O)COc2ccc3c(c2)CCC(=O)N3)cnn1C Cc1c(cnn1C)[*:1] C[C@H](NC(=O)COc1ccc2NC(=O)CCc2c1)[*:1]
CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc(NCc3ccc4c(c3)OCO4)c2[N+](=O)[O-])C1 c1cc2OCOc2cc1[*:1] CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc(NC[*:1])c2[N+](=O)[O-])C1
CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc(NCc3ccc4c(c3)OCO4)c2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc(NCc3ccc4OCOc4c3)c2[*:1])C1
CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc(NCc3ccc4c(c3)OCO4)c2[N+](=O)[O-])C1 c1cc2OCOc2cc1C[*:1] CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc(N[*:1])c2[N+](=O)[O-])C1
O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CCSC1 C1C[C@@H](CS1)[*:1] O=C(CCn1cc(cn1)[N+](=O)[O-])O[*:1]
O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CCSC1 O=[N+]([O-])[*:1] O=C(CCn1cc(cn1)[*:1])O[C@H]1CCSC1
CCC[NH+]1CCN(CC(C)(C)CS)CC1 CC(C)(CS)[*:1] CCC[NH+]1CCN(CC1)C[*:1]
CCC[NH+]1CCN(CC(C)(C)CS)CC1 CCC[*:1] CC(C)(CS)CN1CC[NH+](CC1)[*:1]
CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2cccc(OC)c2)c1 COc1cccc(c1)[*:1] CCc1cccc(c1)-n1nc(C)c2c1NC(=O)C[C@H]2C(=O)[*:1]
CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2cccc(OC)c2)c1 CCc1cccc(c1)[*:1] COc1cccc(c1)C(=O)[C@@H]1CC(=O)Nc2c1c(C)nn2[*:1]
CC1(C)CCN(C(=O)NCCOc2cccnc2)C1 c1cncc(c1)[*:1] CC1(C)CCN(C1)C(=O)NCCO[*:1]
C[NH2+][C@@]1(CO)CCC[C@@H]1CCOC(C)(C)C CC(C)(C)O[*:1] C[NH2+][C@@]1(CO)CCC[C@@H]1CC[*:1]
C[NH2+][C@@]1(CO)CCC[C@@H]1CCOC(C)(C)C CC(C)(C)[*:1] C[NH2+][C@@]1(CO)CCC[C@@H]1CCO[*:1]
Cc1ccc(OC[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)cc1 Cn1cc(cn1)CC[*:1] Cc1ccc(cc1)OC[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(OC[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)cc1 Cn1cc(cn1)[*:1] Cc1ccc(cc1)OC[C@H]1CCCN(C1)C(=O)CC[*:1]
Cc1ccc(OC[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)cc1 Cn1cc(cn1)C[*:1] Cc1ccc(cc1)OC[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccc(OC[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)cc1 Cc1ccc(cc1)[*:1] Cn1cc(cn1)CCC(=O)N1CCC[C@H](CO[*:1])C1
Cc1ccc(OC[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)cc1 Cc1ccc(cc1)O[*:1] Cn1cc(cn1)CCC(=O)N1CCC[C@@H](C1)C[*:1]
COc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)c1 COc1cccc(c1)[*:1] Cc1ccccc1-n1c(=S)sc2c(=O)[nH]c(nc21)SCC(=O)N[*:1]
COc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[nH]2)c1 Cc1ccccc1[*:1] COc1cccc(c1)NC(=O)CSc1nc2c(sc(=S)n2[*:1])c(=O)[nH]1
Cc1cc2ccccc2[nH+]c1NCc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] Cc1cc2ccccc2[nH+]c1NCc1ccc(cc1)[*:1]
O=C(c1ccco1)N1CCN([C@H](c2ccc(F)cc2)c2nnnn2CCc2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccco1)N1CCN(CC1)[C@H](c1nnnn1CCc1ccccc1)[*:1]
O=C(c1ccco1)N1CCN([C@H](c2ccc(F)cc2)c2nnnn2CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccco1)N1CCN(CC1)[C@H](c1ccc(F)cc1)c1nnnn1C[*:1]
O=C(c1ccco1)N1CCN([C@H](c2ccc(F)cc2)c2nnnn2CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(c1ccco1)N1CCN(CC1)[C@H](c1ccc(F)cc1)c1nnnn1[*:1]
O=C(c1ccco1)N1CCN([C@H](c2ccc(F)cc2)c2nnnn2CCc2ccccc2)CC1 c1coc(c1)[*:1] O=C(N1CCN(CC1)[C@H](c1ccc(F)cc1)c1nnnn1CCc1ccccc1)[*:1]
O=C(c1ccco1)N1CCN([C@H](c2ccc(F)cc2)c2nnnn2CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccco1)N1CCN(CC1)[C@H](c1ccc(F)cc1)c1nnnn1CC[*:1]
Cc1ccc(C(=O)N2CCN(c3nc4nccc(-c5ccc(Cl)c(Cl)c5)n4n3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(N1CCN(CC1)c1nc2nccc(-c3ccc(Cl)c(Cl)c3)n2n1)[*:1]
Cc1ccc(C(=O)N2CCN(c3nc4nccc(-c5ccc(Cl)c(Cl)c5)n4n3)CC2)cc1C Clc1ccc(cc1Cl)[*:1] Cc1ccc(cc1C)C(=O)N1CCN(CC1)c1nc2nccc(n2n1)[*:1]
O=C(CCCn1c(=O)c2cccn2c2cccnc21)NCc1ccccc1F Fc1ccccc1C[*:1] O=C(CCCn1c(=O)c2cccn2c2cccnc21)N[*:1]
O=C(CCCn1c(=O)c2cccn2c2cccnc21)NCc1ccccc1F Fc1ccccc1[*:1] O=C(CCCn1c(=O)c2cccn2c2cccnc21)NC[*:1]
Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 c1ccc(cc1)[*:1] Cn1c(CN2CC[NH+](CC2)C[*:1])nc2cc(ccc21)NC(=O)c1cccc(c1)[N+](=O)[O-]
Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 O=[N+]([O-])c1cccc(c1)[*:1] Cn1c(CN2CC[NH+](CC2)Cc2ccccc2)nc2cc(ccc21)NC(=O)[*:1]
Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 O=[N+]([O-])[*:1] Cn1c(CN2CC[NH+](CC2)Cc2ccccc2)nc2cc(ccc21)NC(=O)c1cccc(c1)[*:1]
Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 c1ccc(cc1)C[*:1] Cn1c(CN2CC[NH+](CC2)[*:1])nc2cc(ccc21)NC(=O)c1cccc(c1)[N+](=O)[O-]
Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 O=C(N[*:1])c1cccc(c1)[N+](=O)[O-] Cn1c(CN2CC[NH+](CC2)Cc2ccccc2)nc2cc(ccc21)[*:1]
O=C(C1CC[NH+](C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1)N1CCCC1 FC(F)(F)[*:1] O=C(C1CC[NH+](CC1)C1CCN(CC1)Cc1cccc(c1)[*:1])N1CCCC1
O=C(C1CC[NH+](C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1)N1CCCC1 FC(F)(F)c1cccc(c1)[*:1] O=C(C1CC[NH+](CC1)C1CCN(CC1)C[*:1])N1CCCC1
O=C(C1CC[NH+](C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] FC(F)(F)c1cccc(c1)CN1CCC(CC1)[NH+]1CCC(CC1)[*:1]
Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(F)c1 Cc1ccccc1[*:1] N#C/C(=C\c1cccc(F)c1)C(=O)N[*:1]
Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccccc1NC(=O)C(C#N)=C[*:1]
O=C(NC[C@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(NC[C@H](O)Cc1ccccc1)c1ccc(o1)[*:1]
O=C(NC[C@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])o1 c1ccc(cc1)[*:1] O=C(NC[C@H](O)C[*:1])c1ccc(o1)[N+](=O)[O-]
O=C(NC[C@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])o1 c1ccc(cc1)C[*:1] O=C(NC[C@H](O)[*:1])c1ccc(o1)[N+](=O)[O-]
C=C(C)[C@@H]([NH2+]CCC)[C@H]1CN2CCC[C@@H]2CO1 C=C(C)[*:1] CCC[NH2+][C@@H]([C@H]1CN2CCC[C@@H]2CO1)[*:1]
C=C(C)[C@@H]([NH2+]CCC)[C@H]1CN2CCC[C@@H]2CO1 CCC[*:1] C=C(C)[C@@H]([NH2+][*:1])[C@H]1CN2CCC[C@@H]2CO1
COc1ccc2c(c1)OC1(CCN(C(=O)c3c(C)nn4cccnc34)CC1)CC2=O Cc1nn2cccnc2c1[*:1] COc1ccc2C(=O)CC3(CCN(CC3)C(=O)[*:1])Oc2c1
O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1COc2ccc(F)cc2C1 C1CCC(CC1)[*:1] O=C(N[C@@H]1CCN(C1)C(=O)[*:1])[C@H]1COc2ccc(F)cc2C1
COc1ccc(NC(=O)COc2ccc(C)cc2)cc1Br Cc1ccc(cc1)[*:1] COc1ccc(cc1Br)NC(=O)CO[*:1]
N#Cc1ccc2ncc(CN(CCc3ccccc3)[C@@H]3CCOC3)n2c1 c1ccc(cc1)C[*:1] N#Cc1ccc2ncc(CN(C[*:1])[C@@H]3CCOC3)n2c1
N#Cc1ccc2ncc(CN(CCc3ccccc3)[C@@H]3CCOC3)n2c1 c1ccc(cc1)[*:1] N#Cc1ccc2ncc(CN(CC[*:1])[C@@H]3CCOC3)n2c1
N#Cc1ccc2ncc(CN(CCc3ccccc3)[C@@H]3CCOC3)n2c1 c1ccc(cc1)CC[*:1] N#Cc1ccc2ncc(CN([C@@H]3CCOC3)[*:1])n2c1
COc1ccc(-c2cc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCN5C(C)=O)CC3)ncn2)cc1 COc1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N1CCN(CC1)c1cc(ncn1)[*:1]
Cc1cscc1CNS(=O)(=O)c1ccccc1F Cc1cscc1[*:1] O=S(=O)(NC[*:1])c1ccccc1F
CCOC[C@@H]1CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)C1 CCO[*:1] O=C(c1nc(C2CC2)n(n1)-c1ccccc1)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)c1nc(C2CC2)n(n1)[*:1]
CCOC[C@@H]1CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)C1 CCOC[*:1] O=C(c1nc(C2CC2)n(n1)-c1ccccc1)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)C1 C1CC1[*:1] CCOC[C@@H]1CCN(C1)C(=O)c1nc(n(n1)-c1ccccc1)[*:1]
CCNC(=O)c1cccc(NC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c1 CCNC(=O)[*:1] CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(c1)[*:1]
Cc1cccc(-c2nc(C[S@](=O)CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(C)o2)c1 Cc1cccc(c1)[*:1] Cc1oc(nc1C[S@](=O)CC(=O)N1C[C@@H](C)C[C@@H](C)C1)[*:1]
COc1cc(C)ccc1NC(=O)c1csc(NC(=O)Nc2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] COc1cc(C)ccc1NC(=O)c1csc(n1)NC(=O)N[*:1]
COc1cc(C)ccc1NC(=O)c1csc(NC(=O)Nc2ccc(C)cc2)n1 COc1cc(C)ccc1[*:1] Cc1ccc(cc1)NC(=O)Nc1nc(cs1)C(=O)N[*:1]
Cc1ccc(N)cc1SCc1ncnn1C(C)C CC(C)[*:1] Cc1ccc(N)cc1SCc1ncnn1[*:1]
CCCc1c(C(=O)[O-])nnn1-c1ccccc1[N+](=O)[O-] O=C([O-])[*:1] CCCc1c(nnn1-c1ccccc1[N+](=O)[O-])[*:1]
CCCc1c(C(=O)[O-])nnn1-c1ccccc1[N+](=O)[O-] CCC[*:1] O=C([O-])c1nnn(-c2ccccc2[N+](=O)[O-])c1[*:1]
CCCc1c(C(=O)[O-])nnn1-c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCc1c(nnn1-c1ccccc1[*:1])C(=O)[O-]
CNC(=O)c1ccc(NC(=O)N[C@@H](C)C(C)C)c(C)c1 CC(C)[C@H](C)[*:1] CNC(=O)c1ccc(NC(=O)N[*:1])c(C)c1
CNC(=O)c1ccc(NC(=O)N[C@@H](C)C(C)C)c(C)c1 CNC(=O)[*:1] Cc1cc(ccc1NC(=O)N[C@@H](C)C(C)C)[*:1]
CNC(=O)c1ccc(NC(=O)N[C@@H](C)C(C)C)c(C)c1 CC(C)[*:1] CNC(=O)c1ccc(NC(=O)N[C@@H](C)[*:1])c(C)c1
Cc1ccccc1C(=O)NNc1cc(=O)n(C)c(=O)n1C Cc1ccccc1[*:1] Cn1c(cc(=O)n(C)c1=O)NNC(=O)[*:1]
C1CC(COC[C@@H]2CCC[NH2+]C2)C1 C1CC(C1)[*:1] C1C[NH2+]C[C@@H](C1)COC[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)-c1cc(nn1[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1cc(nn1[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCC(CC1)C[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C Cc1ccc(cc1C)[*:1] O=C(c1cc(n(n1)[C@@H]1CCS(=O)(=O)C1)[*:1])N1CCC(CC1)Cc1ccccc1
O=C1c2ccccc2C(=O)N1CCSc1nncn1Cc1ccco1 c1coc(c1)C[*:1] O=C1c2ccccc2C(=O)N1CCSc1nncn1[*:1]
O=C1c2ccccc2C(=O)N1CCSc1nncn1Cc1ccco1 c1coc(c1)[*:1] O=C1c2ccccc2C(=O)N1CCSc1nncn1C[*:1]
Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1Cl O=[N+]([O-])[*:1] Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc(cc2)[*:1])c1Cl
Cc1cc(CNC(=S)NCc2ccco2)nn1C c1coc(c1)C[*:1] Cc1cc(CNC(=S)N[*:1])nn1C
Cc1cc(CNC(=S)NCc2ccco2)nn1C c1coc(c1)[*:1] Cc1cc(CNC(=S)NC[*:1])nn1C
CCSC[C@@H](C)N(C)C(=O)c1nc(-c2ccccc2)oc1C1CC1 CCS[*:1] C[C@H](C[*:1])N(C)C(=O)c1nc(oc1C1CC1)-c1ccccc1
CCSC[C@@H](C)N(C)C(=O)c1nc(-c2ccccc2)oc1C1CC1 C1CC1[*:1] CCSC[C@@H](C)N(C)C(=O)c1nc(oc1[*:1])-c1ccccc1
CCSC[C@@H](C)N(C)C(=O)c1nc(-c2ccccc2)oc1C1CC1 c1ccc(cc1)[*:1] CCSC[C@@H](C)N(C)C(=O)c1nc(oc1C1CC1)[*:1]
CCSC[C@@H](C)N(C)C(=O)c1nc(-c2ccccc2)oc1C1CC1 CCSC[*:1] C[C@@H](N(C)C(=O)c1nc(oc1C1CC1)-c1ccccc1)[*:1]
O=C(CCn1cnc2c(-c3ccccc3)noc2c1=O)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(CCn1cnc2c(noc2c1=O)-c1ccccc1)N[*:1]
O=C(CCn1cnc2c(-c3ccccc3)noc2c1=O)Nc1ccccc1Cl c1ccc(cc1)[*:1] O=C(CCn1cnc2c(noc2c1=O)[*:1])Nc1ccccc1Cl
COc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1C c1csc(c1)C[*:1] COc1ccc(cc1C)S(=O)(=O)N(C)[*:1]
COc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1C c1csc(c1)[*:1] COc1ccc(cc1C)S(=O)(=O)N(C)C[*:1]
CCc1ccc(C(=O)CSC2COC2)cc1 C1OCC1[*:1] CCc1ccc(cc1)C(=O)CS[*:1]
CCc1ccc(C(=O)CSC2COC2)cc1 C1OCC1S[*:1] CCc1ccc(cc1)C(=O)C[*:1]
FC(F)(F)c1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1 FC(F)(F)[*:1] c1ccc(cc1)[C@@H](c1ccc(cc1)[*:1])N1CC[NH2+]CC1
FC(F)(F)c1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1 c1ccc(cc1)[*:1] FC(F)(F)c1ccc(cc1)[C@H](N1CC[NH2+]CC1)[*:1]
O=C1C[C@@H](c2ccco2)Cc2c1cnn2-c1ccccc1F Fc1ccccc1[*:1] O=C1C[C@H](Cc2c1cnn2[*:1])c1ccco1
O=C1C[C@@H](c2ccco2)Cc2c1cnn2-c1ccccc1F c1coc(c1)[*:1] O=C1C[C@@H](Cc2c1cnn2-c1ccccc1F)[*:1]
C#CC[n+]1c(C)sc2ccccc21 C#CC[*:1] Cc1sc2ccccc2[n+]1[*:1]
COc1csc(C(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)c1 COc1csc(c1)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCSc3ncccc32)cc1 O=[N+]([O-])[*:1] O=S(=O)(Cc1ccc(cc1)[*:1])N1CCSc2ncccc21
C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CCC(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CCC(F)(F)F)[*:1]
C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CC[*:1])C1CCCC1
C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)CC[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C1CCCC1)[*:1]
C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)C[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C[*:1])C1CCCC1
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]Cc1cc[nH]c1 Clc1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)[NH2+]Cc1cc[nH]c1)[*:1]
Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]Cc1cc[nH]c1 c1cc(c[nH]1)[*:1] Cc1nc(sc1[C@H](C)[NH2+]C[*:1])-c1ccc(Cl)cc1
COC(=O)c1ccc(COc2ccc(Br)cc2F)nc1 COC(=O)[*:1] Fc1cc(Br)ccc1OCc1ccc(cn1)[*:1]
O=C(Nc1cnn(CC(F)F)c1)c1c[nH]c2nccc(Cl)c12 FC(F)[*:1] O=C(Nc1cnn(c1)C[*:1])c1c[nH]c2nccc(Cl)c12
O=C(Nc1cnn(CC(F)F)c1)c1c[nH]c2nccc(Cl)c12 FC(F)C[*:1] O=C(Nc1cnn(c1)[*:1])c1c[nH]c2nccc(Cl)c12
CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CCN(CC)c1ncc(C[NH2+]C[*:1])s1
CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCCO2)s1 CCN(CC)[*:1] c1nc(sc1C[NH2+]C[C@@H]1CCCO1)[*:1]
COc1ccccc1CN(C(=O)Nc1ccc(Cn2cccn2)cc1)C1CC1 COc1ccccc1C[*:1] O=C(Nc1ccc(cc1)Cn1cccn1)N(C1CC1)[*:1]
COc1ccccc1CN(C(=O)Nc1ccc(Cn2cccn2)cc1)C1CC1 COc1ccccc1[*:1] O=C(Nc1ccc(cc1)Cn1cccn1)N(C[*:1])C1CC1
COc1ccccc1CN(C(=O)Nc1ccc(Cn2cccn2)cc1)C1CC1 c1cnn(c1)[*:1] COc1ccccc1CN(C(=O)Nc1ccc(cc1)C[*:1])C1CC1
COc1ccccc1CN(C(=O)Nc1ccc(Cn2cccn2)cc1)C1CC1 c1cnn(c1)C[*:1] COc1ccccc1CN(C(=O)Nc1ccc(cc1)[*:1])C1CC1
COc1ccccc1CN(C(=O)Nc1ccc(Cn2cccn2)cc1)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)Nc1ccc(cc1)Cn1cccn1)[*:1]
CCc1ccc(C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CCc1ccc(cc1)C(=O)N(CC)CC(=O)N[*:1]
CCc1ccc(C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)C(=O)N(CC)CC(=O)NC[*:1]
CCc1ccc(C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1 CCc1ccc(cc1)[*:1] CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[*:1]
COC(=O)[C@H](C)[C@@H](NC(=O)Cc1ccon1)c1ccccc1 c1cc(C[*:1])no1 COC(=O)[C@H](C)[C@@H](NC(=O)[*:1])c1ccccc1
COC(=O)[C@H](C)[C@@H](NC(=O)Cc1ccon1)c1ccccc1 COC(=O)[*:1] C[C@H]([C@@H](NC(=O)Cc1ccon1)c1ccccc1)[*:1]
COC(=O)[C@H](C)[C@@H](NC(=O)Cc1ccon1)c1ccccc1 COC(=O)[C@H](C)[*:1] O=C(Cc1ccon1)N[C@@H](c1ccccc1)[*:1]
COC(=O)[C@H](C)[C@@H](NC(=O)Cc1ccon1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)[C@@H](NC(=O)Cc1ccon1)[*:1]
COC(=O)[C@H](C)[C@@H](NC(=O)Cc1ccon1)c1ccccc1 c1cc(no1)[*:1] COC(=O)[C@H](C)[C@@H](NC(=O)C[*:1])c1ccccc1
CC(C)=C[C@H]([NH3+])[C@H]1Cc2ccccc21 CC(C)=C[*:1] [NH3+][C@H]([C@H]1Cc2ccccc21)[*:1]
O=C(N[C@H]1CCCC[C@H]1O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] O=C(N[C@H]1CCCC[C@H]1O)c1ccc(cc1)[*:1]
CCCc1cc(-n2ccc(C(=O)[O-])n2)nc(-c2ccc(C(F)(F)F)cc2)n1 CCC[*:1] O=C([O-])c1ccn(n1)-c1cc(nc(n1)-c1ccc(cc1)C(F)(F)F)[*:1]
CCCc1cc(-n2ccc(C(=O)[O-])n2)nc(-c2ccc(C(F)(F)F)cc2)n1 O=C([O-])[*:1] CCCc1cc(nc(n1)-c1ccc(cc1)C(F)(F)F)-n1ccc(n1)[*:1]
CCCc1cc(-n2ccc(C(=O)[O-])n2)nc(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] CCCc1cc(nc(n1)-c1ccc(cc1)[*:1])-n1ccc(n1)C(=O)[O-]
Nc1cccc(C(=O)N2CCC[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] Nc1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
C[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccnc3)cc2)[C@H]1CO c1cncc(c1)CO[*:1] C[C@H]1CCCN(C(=O)Nc2ccc(cc2)[*:1])[C@H]1CO
C[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccnc3)cc2)[C@H]1CO c1cncc(c1)C[*:1] C[C@H]1CCCN(C(=O)Nc2ccc(cc2)O[*:1])[C@H]1CO
C[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccnc3)cc2)[C@H]1CO c1cncc(c1)[*:1] C[C@H]1CCCN(C(=O)Nc2ccc(cc2)OC[*:1])[C@H]1CO
N#Cc1cccc(OCc2cccc(C(=O)NCCn3cc[nH+]c3)c2)c1 N#Cc1cccc(c1)[*:1] O=C(NCCn1cc[nH+]c1)c1cccc(c1)CO[*:1]
COc1ccc(C(=O)N(C)C)cc1NCC(=O)NC1CC1 CN(C)C(=O)[*:1] COc1ccc(cc1NCC(=O)NC1CC1)[*:1]
COc1ccc(C(=O)N(C)C)cc1NCC(=O)NC1CC1 O=C(C[*:1])NC1CC1 COc1ccc(cc1N[*:1])C(=O)N(C)C
COc1ccc(C(=O)N(C)C)cc1NCC(=O)NC1CC1 C1CC1[*:1] COc1ccc(cc1NCC(=O)N[*:1])C(=O)N(C)C
COc1ccc(C(=O)N(C)C)cc1NCC(=O)NC1CC1 O=C(NC1CC1)[*:1] COc1ccc(cc1NC[*:1])C(=O)N(C)C
CC(C)(CNC(=O)CSc1nc2ccccc2s1)C(N)=O NC(=O)[*:1] CC(C)(CNC(=O)CSc1nc2ccccc2s1)[*:1]
CC(C)(CNC(=O)CSc1nc2ccccc2s1)C(N)=O CC(C)(C[*:1])C(N)=O O=C(CSc1nc2ccccc2s1)N[*:1]
CC(C)(CNC(=O)CSc1nc2ccccc2s1)C(N)=O CC(C)(C(N)=O)[*:1] O=C(CSc1nc2ccccc2s1)NC[*:1]
C[NH2+][C@H](Cc1cc(Br)ccc1OC)C(C)(C)OC COC(C)(C)[*:1] C[NH2+][C@H](Cc1cc(Br)ccc1OC)[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(-c2ccc(C)cc2)n(-c2ccccc2)c1=S Cc1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(n(-c2ccccc2)c1=S)[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(-c2ccc(C)cc2)n(-c2ccccc2)c1=S CC(=O)N[*:1] Cc1ccc(cc1)-c1nn(c(=S)n1-c1ccccc1)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(-c2ccc(C)cc2)n(-c2ccccc2)c1=S c1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1nc(-c2ccc(C)cc2)n(c1=S)[*:1]
CCN(C(=O)Cc1ccc(C)nc1)[C@H](C)Cc1ccc(OC)cc1 Cc1ccc(cn1)[*:1] CCN(C(=O)C[*:1])[C@H](C)Cc1ccc(cc1)OC
CCN(C(=O)Cc1ccc(C)nc1)[C@H](C)Cc1ccc(OC)cc1 Cc1ccc(cn1)C[*:1] CCN(C(=O)[*:1])[C@H](C)Cc1ccc(cc1)OC
CCN(C(=O)Cc1ccc(C)nc1)[C@H](C)Cc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(C(=O)Cc1ccc(C)nc1)[C@H](C)C[*:1]
CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F CC(C)[*:1] O=C(C[*:1])/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F
CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F CC(C)C[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F)[*:1]
CCCOc1cncc(N[C@@](C)(C(=O)[O-])C(F)(F)F)n1 O=C([O-])[*:1] CCCOc1cncc(n1)N[C@@](C)(C(F)(F)F)[*:1]
CCCOc1cncc(N[C@@](C)(C(=O)[O-])C(F)(F)F)n1 CCC[*:1] C[C@](Nc1cncc(n1)O[*:1])(C(=O)[O-])C(F)(F)F
CCCOc1cncc(N[C@@](C)(C(=O)[O-])C(F)(F)F)n1 CCCO[*:1] C[C@](Nc1cncc(n1)[*:1])(C(=O)[O-])C(F)(F)F
CCCOc1cncc(N[C@@](C)(C(=O)[O-])C(F)(F)F)n1 FC(F)(F)[*:1] CCCOc1cncc(n1)N[C@@](C)(C(=O)[O-])[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1Oc2ccccc2[C@H]1C CC[S@@](=O)[*:1] C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1[*:1]
Cc1onc(-c2cccnc2)c1C(=O)NCc1cccs1 c1csc(c1)C[*:1] Cc1onc(-c2cccnc2)c1C(=O)N[*:1]
Cc1onc(-c2cccnc2)c1C(=O)NCc1cccs1 c1cncc(c1)[*:1] Cc1onc(c1C(=O)NCc1cccs1)[*:1]
Cc1onc(-c2cccnc2)c1C(=O)NCc1cccs1 c1csc(c1)[*:1] Cc1onc(-c2cccnc2)c1C(=O)NC[*:1]
CCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2nncn2C)cc1 Cn1cnnc1[*:1] CCc1ccc(cc1)NC(=O)[C@@H](C)S(=O)(=O)C[*:1]
CCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2nncn2C)cc1 Cn1cnnc1C[*:1] CCc1ccc(cc1)NC(=O)[C@@H](C)S(=O)(=O)[*:1]
Cc1c(CS(C)(=O)=O)cccc1NC(=O)[C@H]1CCO[C@@H]1C CS(=O)(=O)C[*:1] Cc1c(cccc1[*:1])NC(=O)[C@H]1CCO[C@@H]1C
Cc1c(CS(C)(=O)=O)cccc1NC(=O)[C@H]1CCO[C@@H]1C CS(=O)(=O)[*:1] Cc1c(cccc1NC(=O)[C@H]1CCO[C@@H]1C)C[*:1]
CCn1c2cc(C)sc2c2cnn(CC(=O)NCc3cccc(OC)c3)c(=O)c21 COc1cccc(c1)[*:1] CCn1c2cc(C)sc2c2cnn(CC(=O)NC[*:1])c(=O)c21
CCn1c2cc(C)sc2c2cnn(CC(=O)NCc3cccc(OC)c3)c(=O)c21 COc1cccc(c1)C[*:1] CCn1c2cc(C)sc2c2cnn(CC(=O)N[*:1])c(=O)c21
O=C(NC[C@@]1(O)CCSC1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccccc1[*:1]
CC(=O)NN=C1CCC(C(C)(C)C)CC1 CC(C)(C)[*:1] CC(=O)NN=C1CCC(CC1)[*:1]
COc1cccc(C2=Nc3nnnn3[C@@H](c3cccc(OC)c3OC(F)F)C2)c1 FC(F)O[*:1] COc1cccc(c1)C1C[C@H](c2cccc(OC)c2[*:1])n2nnnc2N=1
COc1cccc(C2=Nc3nnnn3[C@@H](c3cccc(OC)c3OC(F)F)C2)c1 COc1cccc(c1)[*:1] COc1cccc(c1OC(F)F)[C@H]1CC(=Nc2nnnn21)[*:1]
COc1cccc(C2=Nc3nnnn3[C@@H](c3cccc(OC)c3OC(F)F)C2)c1 FC(F)[*:1] COc1cccc(c1)C1C[C@H](c2cccc(OC)c2O[*:1])n2nnnc2N=1
O=C(NCCc1ccc2c(c1)OCO2)N[C@H](CC(F)(F)F)c1ccc(F)cc1 c1cc2OCOc2cc1[*:1] O=C(NCC[*:1])N[C@H](CC(F)(F)F)c1ccc(F)cc1
O=C(NCCc1ccc2c(c1)OCO2)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] O=C(NCCc1ccc2OCOc2c1)N[C@H](c1ccc(F)cc1)[*:1]
O=C(NCCc1ccc2c(c1)OCO2)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(NCCc1ccc2OCOc2c1)N[C@H](C[*:1])c1ccc(F)cc1
O=C(NCCc1ccc2c(c1)OCO2)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCc1ccc2OCOc2c1)N[C@H](CC(F)(F)F)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)COc1cc(C)nc(N2CCCC2)n1 C1CCN(C1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)COc1cc(C)nc(n1)[*:1]
CC[NH+](CCC(=O)Nc1ccc(F)cc1N)C(C)C CC(C)[*:1] CC[NH+](CCC(=O)Nc1ccc(F)cc1N)[*:1]
CC1(C)CCC[C@@H]1NC(=O)NCC1CCC1 C1CC(C1)[*:1] CC1(C)CCC[C@@H]1NC(=O)NC[*:1]
CC1(C)CCC[C@@H]1NC(=O)NCC1CCC1 C1CC(C1)C[*:1] CC1(C)CCC[C@@H]1NC(=O)N[*:1]
CCc1ccc([C@H]2CCCCN2C(=O)C[C@H](O)c2cccc(F)c2)o1 CCc1ccc(o1)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N1CCCC[C@@H]1[*:1]
CCc1ccc([C@H]2CCCCN2C(=O)C[C@H](O)c2cccc(F)c2)o1 Fc1cccc(c1)[*:1] CCc1ccc(o1)[C@H]1CCCCN1C(=O)C[C@H](O)[*:1]
C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccco1 c1coc(c1)[*:1] C[C@H](Cc1cccc(Cl)c1)NC(=O)[*:1]
COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)ccc1OCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1nc(cs1)-c1ccc2CCCc2c1
COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)ccc1OCC(=O)N1CCOCC1 c1cc2CCCc2cc1[*:1] COc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)Nc1nc(cs1)[*:1]
COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)ccc1OCC(=O)N1CCOCC1 O=C(CO[*:1])N1CCOCC1 COc1cc(ccc1[*:1])C(=O)Nc1nc(cs1)-c1ccc2CCCc2c1
COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)ccc1OCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 COc1cc(ccc1O[*:1])C(=O)Nc1nc(cs1)-c1ccc2CCCc2c1
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCC)CC1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)NC1CC[NH+](CCC)CC1
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCC)CC1 CCC[*:1] C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC1)[*:1]
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCC)CC1 O=C([O-])C[*:1] C=CCN(C(=O)NC1CC[NH+](CCC)CC1)[*:1]
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCC)CC1 C=CC[*:1] CCC[NH+]1CCC(CC1)NC(=O)N(CC(=O)[O-])[*:1]
CCn1cc[nH+]c1CN(C)C(=O)c1ccc2c(c1)[nH+]c(N1CCOCC1)n2C C1CN(CCO1)[*:1] CCn1cc[nH+]c1CN(C)C(=O)c1ccc2c(c1)[nH+]c(n2C)[*:1]
CCS(=O)(=O)NCCCNC(=O)c1cccc2cc[nH]c12 CCS(=O)(=O)NC[*:1] O=C(NCC[*:1])c1cccc2cc[nH]c12
CCS(=O)(=O)NCCCNC(=O)c1cccc2cc[nH]c12 CCS(=O)(=O)N[*:1] O=C(NCCC[*:1])c1cccc2cc[nH]c12
O=C1NCCCC[C@H]1Sc1nnnn1C1CC1 C1CC1[*:1] O=C1NCCCC[C@H]1Sc1nnnn1[*:1]
O=C(NCC[NH+]1CCCCCC1)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(NCC[NH+]1CCCCCC1)c1cc([nH]n1)[*:1]
O[C@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O[C@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)[*:1]
O[C@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O[C@H](CN1CC[NH+](CC=C[*:1])CC1)c1ccc(Cl)cc1
O[C@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 C(=C[*:1])c1ccccc1 O[C@H](CN1CC[NH+](CC1)C[*:1])c1ccc(Cl)cc1
CN(Cc1ccccc1N1CCOCC1)C(=O)C1CC=CC1 C1CN(CCO1)[*:1] CN(Cc1ccccc1[*:1])C(=O)C1CC=CC1
CCOC(=O)CSC1=NC(=O)C[C@H](c2ccccc2C)[C@H]1C#N CCOC(=O)[*:1] Cc1ccccc1[C@H]1CC(=O)N=C(SC[*:1])[C@@H]1C#N
CCOC(=O)CSC1=NC(=O)C[C@H](c2ccccc2C)[C@H]1C#N CCOC(=O)C[*:1] Cc1ccccc1[C@H]1CC(=O)N=C(S[*:1])[C@@H]1C#N
CCOC(=O)CSC1=NC(=O)C[C@H](c2ccccc2C)[C@H]1C#N Cc1ccccc1[*:1] CCOC(=O)CSC1=NC(=O)C[C@H]([C@H]1C#N)[*:1]
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1ccco1 c1coc(c1)[*:1] CCc1ccc(cc1S(=O)(=O)N(C)[C@@H](C)[*:1])[N+](=O)[O-]
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1ccco1 O=[N+]([O-])[*:1] CCc1ccc(cc1S(=O)(=O)N(C)[C@@H](C)c1ccco1)[*:1]
CCC(CC)[C@@H](O)[C@]1(C[NH3+])CC[C@H](C)C1 CCC(CC)[*:1] C[C@H]1CC[C@](C[NH3+])(C1)[C@H](O)[*:1]
COc1ccc(Oc2cc(CNC(=O)c3ccc[nH]3)ccn2)cc1 O=C(N[*:1])c1ccc[nH]1 COc1ccc(cc1)Oc1cc(ccn1)C[*:1]
COc1ccc(Oc2cc(CNC(=O)c3ccc[nH]3)ccn2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)O[*:1])c1ccc[nH]1
COc1ccc(Oc2cc(CNC(=O)c3ccc[nH]3)ccn2)cc1 c1c[nH]c(c1)[*:1] COc1ccc(cc1)Oc1cc(ccn1)CNC(=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@H]1OC2=C([C@H]3N=NC=C3CC2)[C@H]1C Cc1ccc(Cl)cc1[*:1] C[C@@H]1C2=C(CCC3=CN=N[C@@H]32)O[C@@H]1C(=O)N[*:1]
COCCOCC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 COCC[*:1] O=S(=O)(c1c(F)cccc1F)N1CCC(CC1)CO[*:1]
COCCOCC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 COC[*:1] O=S(=O)(c1c(F)cccc1F)N1CCC(CC1)COC[*:1]
COCCOCC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 COCCOC[*:1] O=S(=O)(c1c(F)cccc1F)N1CCC(CC1)[*:1]
COCCOCC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 COCCO[*:1] O=S(=O)(c1c(F)cccc1F)N1CCC(CC1)C[*:1]
CCc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2c(C)cc(Cl)cc2C)CC1 Cc1cc(Cl)cc(C)c1[*:1] CCc1nc2ccccc2nc1N1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1c(OC)ccc2ccccc12 COC(=O)[*:1] COc1ccc2ccccc2c1[C@@H]1C(=C(N)Oc2c1c(C)nn2-c1ccccc1)[*:1]
COC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1c(OC)ccc2ccccc12 c1ccc(cc1)[*:1] COC(=O)C1=C(N)Oc2c(c(C)nn2[*:1])[C@@H]1c1c(ccc2ccccc12)OC
C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1CCC(=O)O1 CC(C)(C)[*:1] C[C@H](CC[*:1])NC(=O)[C@@H]1CCC(=O)O1
C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1CCC(=O)O1 CC(C)(C)C[*:1] C[C@H](C[*:1])NC(=O)[C@@H]1CCC(=O)O1
O=C(Nc1cccc(OC(F)F)c1)Nc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)OC(F)F)Nc1cnn(c1)C[*:1]
O=C(Nc1cccc(OC(F)F)c1)Nc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)OC(F)F)Nc1cnn(c1)[*:1]
O=C(Nc1cccc(OC(F)F)c1)Nc1cnn(Cc2ccccc2)c1 FC(F)[*:1] O=C(Nc1cccc(c1)O[*:1])Nc1cnn(c1)Cc1ccccc1
O=C(Nc1cccc(OC(F)F)c1)Nc1cnn(Cc2ccccc2)c1 FC(F)O[*:1] O=C(Nc1cccc(c1)[*:1])Nc1cnn(c1)Cc1ccccc1
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CC(C)(C)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C[*:1]
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CC(C)(C)S(C)(=O)=O CC(C)C[*:1] Cc1nn(c(Cl)c1[C@H]1CCCN1CC(C)(C)S(C)(=O)=O)[*:1]
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CC(C)(C)[*:1]
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CC(C)(C)S(C)(=O)=O CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1[C@H]1CCCN1CC(C)(C)S(C)(=O)=O
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CC(C)(C)S(C)(=O)=O CC(C)(C[*:1])S(C)(=O)=O Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1[*:1]
Cc1cc(OCC(=O)NC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])OCC(=O)NC(c1ccccc1)c1ccccc1
Cc1cc(OCC(=O)NC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])OCC(=O)NC(c1ccccc1)[*:1]
Cc1ccccc1[C@H](NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)C CS(=O)(=O)[*:1] Cc1ccccc1[C@H](NC(=O)N[C@H]1CCC[C@H](C1)[*:1])C(C)C
Cc1ccccc1[C@H](NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
Cc1ccccc1[C@H](NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)C CC(C)[*:1] Cc1ccccc1[C@H](NC(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)[C@@H](C)[NH2+][C@H](C)C(=O)N[*:1]
Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2F)cc1 Cc1ccc(cc1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])C(=O)Nc1ccccc1F
CN(Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@H](O)[*:1]
CN(Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] CN(Cc1c[nH]nc1-c1cc2ccccc2o1)C[*:1]
CC[C@@H](C)C(=O)NC[C@@H](C)Cc1ccc(OC)cc1 CC[C@@H](C)[*:1] COc1ccc(cc1)C[C@H](C)CNC(=O)[*:1]
Cc1ccc([O-])c(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)[nH+]1 c1ccc(cc1)[*:1] Cc1ccc([O-])c(CN2CCN(CC2)Cc2cnn(c2)[*:1])[nH+]1
O=C(NCCCn1cnc2ccccc21)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O c1ccc(cc1)[*:1] O=C(NCCCn1cnc2ccccc21)c1ccc2C(=O)O[C@@H](Cc2c1)[*:1]
O=C(NCCCn1cnc2ccccc21)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O c1ccc2c(c1)ncn2[*:1] O=C(NCCC[*:1])c1ccc2C(=O)O[C@H](Cc2c1)c1ccccc1
O=C(NCCCn1cnc2ccccc21)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O c1ccc2c(c1)ncn2C[*:1] O=C(NCC[*:1])c1ccc2C(=O)O[C@H](Cc2c1)c1ccccc1
Nc1c(C(=O)Nc2nccs2)cc2c(=O)n3ccccc3nc2[n+]1C1CCCCC1 c1csc(n1)[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1C1CCCCC1)C(=O)N[*:1]
Nc1c(C(=O)Nc2nccs2)cc2c(=O)n3ccccc3nc2[n+]1C1CCCCC1 C1CCC(CC1)[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1[*:1])C(=O)Nc1nccs1
Nc1c(C(=O)Nc2nccs2)cc2c(=O)n3ccccc3nc2[n+]1C1CCCCC1 O=C(Nc1nccs1)[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1C1CCCCC1)[*:1]
CCN(Cc1ccccc1C)C(=O)Nc1ccc(CN2CCCC2=O)cc1 Cc1ccccc1C[*:1] CCN(C(=O)Nc1ccc(cc1)CN1CCCC1=O)[*:1]
CCN(Cc1ccccc1C)C(=O)Nc1ccc(CN2CCCC2=O)cc1 Cc1ccccc1[*:1] CCN(C[*:1])C(=O)Nc1ccc(cc1)CN1CCCC1=O
CCN(Cc1ccccc1C)C(=O)Nc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] CCN(Cc1ccccc1C)C(=O)Nc1ccc(cc1)[*:1]
CCN(Cc1ccccc1C)C(=O)Nc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] CCN(Cc1ccccc1C)C(=O)Nc1ccc(cc1)C[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OCC(N)=O)cc1)N(c1nc(C)c(C)s1)C3=O NC(=O)COc1ccc(cc1)[*:1] Cc1ccc2oc3C(=O)N(c4nc(C)c(C)s4)[C@H](c3c(=O)c2c1)[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OCC(N)=O)cc1)N(c1nc(C)c(C)s1)C3=O Cc1nc(sc1C)[*:1] Cc1ccc2oc3C(=O)N([C@H](c4ccc(cc4)OCC(N)=O)c3c(=O)c2c1)[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OCC(N)=O)cc1)N(c1nc(C)c(C)s1)C3=O NC(=O)[*:1] Cc1ccc2oc3C(=O)N(c4nc(C)c(C)s4)[C@H](c4ccc(cc4)OC[*:1])c3c(=O)c2c1
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OCC(N)=O)cc1)N(c1nc(C)c(C)s1)C3=O NC(=O)CO[*:1] Cc1ccc2oc3C(=O)N(c4nc(C)c(C)s4)[C@H](c4ccc(cc4)[*:1])c3c(=O)c2c1
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OCC(N)=O)cc1)N(c1nc(C)c(C)s1)C3=O NC(=O)C[*:1] Cc1ccc2oc3C(=O)N(c4nc(C)c(C)s4)[C@H](c4ccc(cc4)O[*:1])c3c(=O)c2c1
C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](c1ccccc1)C(C)(C)C CC(C)(C)[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](c1ccccc1)[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](c1ccccc1)C(C)(C)C c1ccc(cc1)[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C(C)(C)C)[*:1]
O=C1CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c2ccccc2N1 Fc1ccc(cc1)[*:1] O=C1CN(C(=O)CSc2nnc(n2C[C@@H]2CCCO2)[*:1])c2ccccc2N1
O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 O=C(c1ccccc1)[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC(CC1)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC(CC1)C(=O)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(c1ccccc1)C1CCN(CC1)C(=O)C=C[*:1]
O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1ccccc1)C1CCN(CC1)C(=O)/C=C/c1ccccc1[*:1]
COc1ccc(NC(C)=O)cc1NCc1noc(-c2cccs2)n1 c1csc(c1)[*:1] COc1ccc(cc1NCc1noc(n1)[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NCc1noc(-c2cccs2)n1 CC(=O)N[*:1] COc1ccc(cc1NCc1noc(n1)-c1cccs1)[*:1]
CCOCCCNC(=O)[C@@](C)(N)C(F)(F)F FC(F)(F)[*:1] CCOCCCNC(=O)[C@@](C)(N)[*:1]
CCOCCCNC(=O)[C@@](C)(N)C(F)(F)F CCOC[*:1] C[C@@](N)(C(=O)NCC[*:1])C(F)(F)F
CCOCCCNC(=O)[C@@](C)(N)C(F)(F)F CCOCC[*:1] C[C@@](N)(C(=O)NC[*:1])C(F)(F)F
CCOCCCNC(=O)[C@@](C)(N)C(F)(F)F CCO[*:1] C[C@@](N)(C(=O)NCCC[*:1])C(F)(F)F
C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(Oc3nc4c(F)cccc4s3)CC2)s1 Cc1ccc(s1)[*:1] O=S(=O)(N1CCC(CC1)Oc1nc2c(F)cccc2s1)[*:1]
Cc1nc(-c2cccc(C[NH2+]Cc3cccc(C(N)=O)c3)c2)n[nH]1 NC(=O)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C[NH2+]Cc1cccc(c1)[*:1]
Cc1nc(-c2cccc(C[NH2+]Cc3cccc(C(N)=O)c3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] NC(=O)c1cccc(c1)C[NH2+]Cc1cccc(c1)[*:1]
CC[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccncc1 C1CO[C@H](C1)[*:1] CC[C@@H](NC(=O)c1cnc(s1)[*:1])c1ccncc1
CC[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
CC(=O)Nc1ccc(/C=C/C(=O)NC[C@H]2C[C@]23CCc2ccccc23)cc1 CC(=O)N[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NC[C@H]1C[C@]12CCc1ccccc12
O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CN1C(=O)CCc2cc(ccc21)S(=O)(=O)N1CCCC1)N[*:1]
O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(CN1C(=O)CCc2cc(ccc21)[*:1])NCc1ccc(F)cc1
O=C(CN1C(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1C(=O)CCc2cc(ccc21)S(=O)(=O)N1CCCC1)NC[*:1]
O=C(/C=C/c1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(/C=C/c1c(F)cccc1Cl)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(/C=C/c1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(Cl)c1[*:1] O=C(C=C[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(F)c1
CCn1nc(C(C)C)cc1C(=O)N1CSC[C@H]1C(=O)[O-] O=C([O-])[*:1] CCn1nc(cc1C(=O)N1CSC[C@@H]1[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)N1CSC[C@H]1C(=O)[O-] CC(C)[*:1] CCn1nc(cc1C(=O)N1CSC[C@H]1C(=O)[O-])[*:1]
O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCC2(CCCCC2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccn(n1)[*:1])N1CCC2(CCCCC2)CC1
CC(C)n1ccc(CCNCc2cnc(-c3ccsc3)s2)n1 c1cc(cs1)[*:1] CC(C)n1ccc(CCNCc2cnc(s2)[*:1])n1
CC(C)n1ccc(CCNCc2cnc(-c3ccsc3)s2)n1 CC(C)[*:1] c1cc(cs1)-c1ncc(CNCCc2ccn(n2)[*:1])s1
S=C1[NH+]=N[C@H](c2ccccc2Br)N1/N=C/c1ccncc1 Brc1ccccc1[*:1] S=C1[NH+]=N[C@H](N1/N=C/c1ccncc1)[*:1]
S=C1[NH+]=N[C@H](c2ccccc2Br)N1/N=C/c1ccncc1 c1cc(ccn1)[*:1] S=C1[NH+]=N[C@H](c2ccccc2Br)N1N=C[*:1]
CN(C)C(=O)C1CC[NH+](CC(=O)NCCOc2cccc(Cl)c2)CC1 Clc1cccc(c1)O[*:1] CN(C)C(=O)C1CC[NH+](CC1)CC(=O)NCC[*:1]
CN(C)C(=O)C1CC[NH+](CC(=O)NCCOc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CN(C)C(=O)C1CC[NH+](CC1)CC(=O)NCCO[*:1]
CN(C)C(=O)C1CC[NH+](CC(=O)NCCOc2cccc(Cl)c2)CC1 CN(C)C(=O)[*:1] O=C(C[NH+]1CCC(CC1)[*:1])NCCOc1cccc(Cl)c1
Cc1cccn2nc(NCCc3ccccn3)nc12 c1ccc(nc1)[*:1] Cc1cccn2nc(nc12)NCC[*:1]
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] N#CC1=C(N)Oc2cc(O)ccc2[C@H]1[*:1]
C#CCNc1ccc(CC(=O)N[C@H](CC)CO)cc1 C#CC[*:1] CC[C@H](CO)NC(=O)Cc1ccc(cc1)N[*:1]
C#CCNc1ccc(CC(=O)N[C@H](CC)CO)cc1 CC[C@H](CO)[*:1] C#CCNc1ccc(cc1)CC(=O)N[*:1]
C#CCNc1ccc(CC(=O)N[C@H](CC)CO)cc1 C#CCN[*:1] CC[C@H](CO)NC(=O)Cc1ccc(cc1)[*:1]
CC[C@@H](CS)CN1C(=O)C(=O)N(C)C1=O CC[C@@H](CS)[*:1] CN1C(=O)C(=O)N(C[*:1])C1=O
CC(=O)N1CCC(CCNC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)CC1 CC(C)[*:1] CC(=O)N1CCC(CCNC(=O)[C@H](Oc2cccc(Cl)c2)[*:1])CC1
CC(=O)N1CCC(CCNC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)CC1 Clc1cccc(c1)O[*:1] CC(=O)N1CCC(CCNC(=O)[C@H](C(C)C)[*:1])CC1
CC(=O)N1CCC(CCNC(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)CC1 Clc1cccc(c1)[*:1] CC(=O)N1CCC(CCNC(=O)[C@H](O[*:1])C(C)C)CC1
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](C(C)C)n3nnc(-c4ccccc4)n3)n2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)[C@@H](C(C)C)n1nnc(n1)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](C(C)C)n3nnc(-c4ccccc4)n3)n2)cc1 CC(=O)N[*:1] CC(C)[C@H](C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1])n1nnc(n1)-c1ccccc1
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](C(C)C)n3nnc(-c4ccccc4)n3)n2)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)[C@@H](n1nnc(n1)-c1ccccc1)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](C(C)C)n3nnc(-c4ccccc4)n3)n2)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC(C)[C@H](C(=O)Nc1nc(cs1)[*:1])n1nnc(n1)-c1ccccc1
CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](C(C)C)n3nnc(-c4ccccc4)n3)n2)cc1 c1ccc(cc1)-c1nnn(n1)[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)[C@@H](C(C)C)[*:1]
CCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)[*:1]
CCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C1N[C@@]2(CCCc3sccc32)C(=O)N1CC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(NC(=O)c2nnn(-c3ccc(OC)c(OC)c3)c2N)cc1Cl COc1ccc(cc1Cl)[*:1] COc1ccc(cc1OC)-n1nnc(C(=O)N[*:1])c1N
Cc1cc(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c(C)s1 Cc1cc(C[*:1])c(C)s1 C[C@H](NC(=O)CC[*:1])c1ccc2NC(=O)CCc2c1
Cc1cc(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)CCC[*:1])c1ccc2NC(=O)CCc2c1
O=C(NC[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1)C1CCCCC1 O=C(N[*:1])C1CCCCC1 O=C(c1ccncc1)N1CCC2(CC[C@@H](C[*:1])O2)CC1
O=C(NC[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(c1ccncc1)N1CCC2(CC[C@@H](CNC(=O)[*:1])O2)CC1
O=C(NC[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)O1)C1CCCCC1 c1cc(ccn1)[*:1] O=C(NC[C@@H]1CCC2(CCN(CC2)C(=O)[*:1])O1)C1CCCCC1
CCCN(CC1CC1)C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC CC[S@](=O)[*:1] CCCN(CC1CC1)C(=O)N[C@H]1CCCC[C@H]1[*:1]
CCCN(CC1CC1)C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC C1CC1C[*:1] CCCN(C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC)[*:1]
CCCN(CC1CC1)C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC C1CC1[*:1] CCCN(C[*:1])C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC
CCCN(CC1CC1)C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC CCC[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)N(CC1CC1)[*:1]
CCOC(C[NH3+])(OCC)c1ccc(F)c(Br)c1 CCO[*:1] CCOC(C[NH3+])(c1ccc(F)c(Br)c1)[*:1]
Cc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)cc1 Cc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nc2cccnc2s1
Cc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)c1nc2cccnc2s1
Cc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)cc1 c1cnc2sc(nc2c1)[*:1] Cc1ccc(cc1)CCNC(=O)[C@@H]1CCCN(C1)[*:1]
Cc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)cc1 Cc1ccc(cc1)CC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nc2cccnc2s1
COC(=O)[C@H](Sc1nc(C)cc(N)n1)c1ccccc1 COC(=O)[*:1] Cc1cc(N)nc(n1)S[C@H](c1ccccc1)[*:1]
COC(=O)[C@H](Sc1nc(C)cc(N)n1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](Sc1nc(C)cc(N)n1)[*:1]
C[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(F)cc1F)C1CC1 C1CC1[*:1] C[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(F)cc1F)[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2cccnc2)c1 c1cncc(c1)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2cccnc2)c1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)N1CCC[C@H]1c1cccnc1)[*:1]
CCC[C@@H](c1ccccc1)[C@@H](C)[NH2+]C CCC[*:1] C[NH2+][C@H](C)[C@H](c1ccccc1)[*:1]
O=C(c1ccccc1)N1CCN(C(=O)c2ccccn2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccn1)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccccc1)N1CCN(C(=O)c2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(c1ccccc1)N1CCN(CC1)C(=O)[*:1]
C[NH+](C)[C@H](CNC(=O)C(C)(C)c1cccc(C#N)c1)c1ccc(F)cc1 N#Cc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)C(C)(C)[*:1])c1ccc(F)cc1
C[NH+](C)[C@H](CNC(=O)C(C)(C)c1cccc(C#N)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)C(C)(C)c1cccc(C#N)c1)[*:1]
CCS[C@H]1CCCCN(C(=O)c2ccc3c(c2)NC(=O)CN3CC)C1 CCS[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N1CCCC[C@@H](C1)[*:1]
NC(=S)c1[nH+]ccn1[C@@H]1CCS(=O)(=O)C1 NC(=S)[*:1] O=S1(=O)CC[C@H](C1)n1cc[nH+]c1[*:1]
O=C(CSc1nc2c(c(=O)[nH]1)C[NH+](Cc1ccccc1)CC2)Nc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(CSc1nc2CC[NH+](Cc2c(=O)[nH]1)C[*:1])Nc1cccc(F)c1
O=C(CSc1nc2c(c(=O)[nH]1)C[NH+](Cc1ccccc1)CC2)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CSc1nc2CC[NH+](Cc3ccccc3)Cc2c(=O)[nH]1)N[*:1]
O=C(CSc1nc2c(c(=O)[nH]1)C[NH+](Cc1ccccc1)CC2)Nc1cccc(F)c1 O=C(Nc1cccc(F)c1)[*:1] O=c1[nH]c(nc2CC[NH+](Cc3ccccc3)Cc21)SC[*:1]
O=C(CSc1nc2c(c(=O)[nH]1)C[NH+](Cc1ccccc1)CC2)Nc1cccc(F)c1 c1ccc(cc1)C[*:1] O=C(CSc1nc2CC[NH+](Cc2c(=O)[nH]1)[*:1])Nc1cccc(F)c1
C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1CNC(N)=O NC(=O)NC[*:1] C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@H]1[*:1]
C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1CNC(N)=O c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)N1CCCC[C@@H]1CNC(N)=O
C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1CNC(N)=O NC(=O)N[*:1] C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1C[*:1]
C[C@@H](Sc1ccccn1)C(=O)N1CCCC[C@@H]1CNC(N)=O c1ccc(nc1)S[*:1] C[C@@H](C(=O)N1CCCC[C@@H]1CNC(N)=O)[*:1]
COC(=O)[C@H](C)N1CCN(c2ccccc2Cl)CC1 COC(=O)[C@H](C)[*:1] Clc1ccccc1N1CCN(CC1)[*:1]
COC(=O)[C@H](C)N1CCN(c2ccccc2Cl)CC1 COC(=O)[*:1] C[C@H](N1CCN(CC1)c1ccccc1Cl)[*:1]
COc1ncccc1C(=O)N1Cc2nn(-c3ccc(C)c(C)c3)c(-n3cccc3)c2C1 Cc1ccc(cc1C)[*:1] COc1ncccc1C(=O)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
COc1ncccc1C(=O)N1Cc2nn(-c3ccc(C)c(C)c3)c(-n3cccc3)c2C1 COc1ncccc1[*:1] Cc1ccc(cc1C)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
COc1ncccc1C(=O)N1Cc2nn(-c3ccc(C)c(C)c3)c(-n3cccc3)c2C1 c1ccn(c1)[*:1] COc1ncccc1C(=O)N1Cc2nn(-c3ccc(C)c(C)c3)c(c2C1)[*:1]
CCC[C@H](C#N)NC(=O)C1(CC(C)C)CCC1 CCC[*:1] CC(C)CC1(CCC1)C(=O)N[C@@H](C#N)[*:1]
CCC[C@H](C#N)NC(=O)C1(CC(C)C)CCC1 CC(C)[*:1] CCC[C@H](C#N)NC(=O)C1(CCC1)C[*:1]
CCC[C@H](C#N)NC(=O)C1(CC(C)C)CCC1 CC(C)C[*:1] CCC[C@H](C#N)NC(=O)C1(CCC1)[*:1]
CCC[C@](C)([NH3+])c1nc(-c2ncc(Cl)cc2Cl)no1 CCC[*:1] C[C@]([NH3+])(c1nc(no1)-c1ncc(Cl)cc1Cl)[*:1]
Cc1cc([C@@H](C)NC(=O)c2occc2Br)cc(C)c1F Brc1ccoc1[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)[*:1]
COC(=O)c1c(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c(c1C)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccc2c(c1)CCC2 C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)c1ccc2CCCc2c1
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccc2c(c1)CCC2 CC(C)[*:1] O=C(c1ccc2CCCc2c1)N(C[C@H]1CCCCO1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccc2c(c1)CCC2 C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)c1ccc2CCCc2c1)[*:1]
CCN1CCO[C@@H](Cn2cc(C(=O)[O-])nn2)C1 O=C([O-])[*:1] CCN1CCO[C@H](C1)Cn1cc(nn1)[*:1]
COc1cccc(C[C@H](N[C@H](C)c2cnc3cc(C)nn3c2C)C2CC2)c1 COc1cccc(c1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)N[C@@H](C[*:1])C1CC1
COc1cccc(C[C@H](N[C@H](C)c2cnc3cc(C)nn3c2C)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)C[C@H](N[C@H](C)c1cnc2cc(C)nn2c1C)[*:1]
COc1cccc(C[C@H](N[C@H](C)c2cnc3cc(C)nn3c2C)C2CC2)c1 COc1cccc(c1)C[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)N[C@H](C1CC1)[*:1]
CCC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(F)c2)CC1=O CCC[*:1] C[C@@H](N1C[C@@H](CC1=O)C(=O)Nc1cccc(F)c1)[*:1]
CCC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(F)c2)CC1=O Fc1cccc(c1)[*:1] CCC[C@@H](C)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(F)c2)CC1=O CCC[C@@H](C)[*:1] O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)N(C1)[*:1]
COc1cc(F)cc(C[NH2+]Cc2cccc(-n3cccn3)c2)c1 c1cnn(c1)[*:1] COc1cc(F)cc(c1)C[NH2+]Cc1cccc(c1)[*:1]
COc1ccc(CC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 OCc1ccc(o1)[*:1] COc1ccc(cc1)CC(=O)Nc1cc(ccc1Cl)[*:1]
COc1ccc(CC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])Nc1cc(ccc1Cl)-c1ccc(CO)o1
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)c1 CC(C)N(C)S(=O)(=O)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(c1)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)c1 CC(C)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1]
Cc1cc(F)ccc1NC(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1 Cc1cc(F)ccc1[*:1] C[C@H]1CN(C[C@@H]2CCCN2C(=O)N[*:1])C[C@@H](C)O1
Cc1cccc(OCCSc2nc(C)cc(C)c2C#N)c1 Cc1cccc(c1)[*:1] Cc1cc(C)c(C#N)c(n1)SCCO[*:1]
COc1ccc2c(c1)OC[C@H](C(=O)Nc1nc(-c3cccs3)ns1)C2 c1csc(c1)[*:1] COc1ccc2C[C@H](COc2c1)C(=O)Nc1nc(ns1)[*:1]
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(Cl)c1 O=[N+]([O-])[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)Nc1ccc(F)c(Cl)c1
CSC[C@@](C)(O)CNS(=O)(=O)c1ccc2c(c1)OCCO2 CSC[*:1] C[C@@](O)(CNS(=O)(=O)c1ccc2OCCOc2c1)[*:1]
O=C1CCCC[C@H]1[C@@H]1CCCN1CC(F)(F)F FC(F)(F)C[*:1] O=C1CCCC[C@H]1[C@@H]1CCCN1[*:1]
O=C1CCCC[C@H]1[C@@H]1CCCN1CC(F)(F)F FC(F)(F)[*:1] O=C1CCCC[C@H]1[C@@H]1CCCN1C[*:1]
CC(C)n1nccc1NC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)n1nccc1NC(=O)NC[C@@H](C)c1nc(no1)[*:1]
CC(C)n1nccc1NC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 CC(C)n1nccc1[*:1] C[C@H](CNC(=O)N[*:1])c1nc(no1)-c1ccccc1
CC(C)n1nccc1NC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 CC(C)[*:1] C[C@H](CNC(=O)Nc1ccnn1[*:1])c1nc(no1)-c1ccccc1
CCCc1ccc(S(=O)(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1 O=C1CCCN1[*:1] CCCc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
CCCc1ccc(S(=O)(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1 CCC[*:1] O=C1CCCN1[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 CCO[*:1] O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(cc1)[*:1]
CN[C@@H]1C(=O)Nc2cc(SC[C@H](O)CO)ccc21 OC[C@@H](O)CS[*:1] CN[C@@H]1C(=O)Nc2cc(ccc21)[*:1]
CN[C@@H]1C(=O)Nc2cc(SC[C@H](O)CO)ccc21 OC[C@@H](O)C[*:1] CN[C@@H]1C(=O)Nc2cc(ccc21)S[*:1]
CN[C@@H]1C(=O)Nc2cc(SC[C@H](O)CO)ccc21 OC[C@@H](O)[*:1] CN[C@@H]1C(=O)Nc2cc(ccc21)SC[*:1]
COc1ccc(F)cc1NC(=O)c1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)CO[*:1] COc1ccc(F)cc1NC(=O)c1cccc(c1)[*:1]
CCCNC(=O)[C@@H]1CCCN(c2[nH+]cccc2-c2noc(C3CCC3)n2)C1 C1CC(C1)c1nc(no1)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)c1[nH+]cccc1[*:1]
CCCNC(=O)[C@@H]1CCCN(c2[nH+]cccc2-c2noc(C3CCC3)n2)C1 CCCNC(=O)[*:1] c1c[nH+]c(c(c1)-c1noc(n1)C1CCC1)N1CCC[C@H](C1)[*:1]
CCCNC(=O)[C@@H]1CCCN(c2[nH+]cccc2-c2noc(C3CCC3)n2)C1 C1CC(C1)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)c1[nH+]cccc1-c1noc(n1)[*:1]
CCCNC(=O)[C@@H]1CCCN(c2[nH+]cccc2-c2noc(C3CCC3)n2)C1 CCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1[nH+]cccc1-c1noc(n1)C1CCC1
C[C@H]1CC(C(=O)OC[C@@H]2CC(=O)N(Cc3ccccc3)C2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)OC[C@@H]1CC(=O)N(C1)C[*:1]
C[C@H]1CC(C(=O)OC[C@@H]2CC(=O)N(Cc3ccccc3)C2)C[C@H](C)O1 c1ccc(cc1)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)OC[C@@H]1CC(=O)N(C1)[*:1]
CCC[C@H]1CN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCO1 CCC[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCO1 C1CC1[*:1] CCC[C@H]1CN(CCO1)C(=O)Nc1ccc2nc(oc2c1)[*:1]
O=C1c2cccnc2[C@@H](Nc2cc(Cl)ccc2Cl)N1Cc1cccs1 c1csc(c1)[*:1] O=C1c2cccnc2[C@@H](Nc2cc(Cl)ccc2Cl)N1C[*:1]
O=C1c2cccnc2[C@@H](Nc2cc(Cl)ccc2Cl)N1Cc1cccs1 c1csc(c1)C[*:1] O=C1c2cccnc2[C@@H](Nc2cc(Cl)ccc2Cl)N1[*:1]
O=C1c2cccnc2[C@@H](Nc2cc(Cl)ccc2Cl)N1Cc1cccs1 Clc1ccc(Cl)c(c1)[*:1] O=C1c2cccnc2[C@@H](N[*:1])N1Cc1cccs1
Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc1 c1coc(c1)[*:1] Cc1ccc(/C=C2\Oc3cc(ccc3C2=O)OC(=O)[*:1])cc1
Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Oc1ccc2C(=O)C(=C[*:1])Oc2c1)c1ccco1
Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc1 O=C(O[*:1])c1ccco1 Cc1ccc(/C=C2\Oc3cc(ccc3C2=O)[*:1])cc1
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 N#Cc1cccc(c1)[*:1] C=CCN(C[*:1])C(=O)N[C@@H](C)c1ccc(C)c(F)c1
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 C=CC[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N(Cc1cccc(C#N)c1)[*:1]
C[C@H](CNC(=O)C(C)(C)NC(=O)Nc1ccccc1)CN1CC[NH+](C)CC1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)C(C)(C)NC(=O)N[*:1])CN1CC[NH+](C)CC1
CC[C@@H](C)C[NH2+][C@H](C)c1ccc(-c2cncnc2)cc1 CC[C@@H](C)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(cc1)-c1cncnc1
CC[C@@H](C)C[NH2+][C@H](C)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] CC[C@@H](C)C[NH2+][C@H](C)c1ccc(cc1)[*:1]
CCOc1ccc(-c2csc(NC(=O)c3ccc(OC)c(OC)c3)n2)cc1 CCO[*:1] COc1ccc(cc1OC)C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2csc(NC(=O)c3ccc(OC)c(OC)c3)n2)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)Nc1nc(cs1)[*:1]
O=C(OCCNc1ncccn1)c1ccc(Br)cc1F c1cnc(nc1)[*:1] O=C(OCCN[*:1])c1ccc(Br)cc1F
Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H](O)c1ccco1 c1coc(c1)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H](O)[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H](O)c1ccco1 O[C@H](c1ccco1)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)NC[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1N)C(=O)N[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1N)C(=O)N[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1N)C(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1N)C(=O)N[C@H](C)[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1N)C(=O)N[C@H](C)c1ccccc1 c1coc(c1)[*:1] C[C@H](Sc1nnc(n1N)[*:1])C(=O)N[C@H](C)c1ccccc1
CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1 CCNS(=O)(=O)[*:1] O=C(Nc1ccc(Cl)cc1F)c1ccc(cc1)[*:1]
Nc1scc[n+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1scc[n+]1CC(=O)Nc1ccc(Cl)cc1[*:1]
CCCCC1CCC(CO)(Cc2nc(C)c(C)s2)CC1 CCC[*:1] Cc1nc(CC2(CO)CCC(CC2)C[*:1])sc1C
CCCCC1CCC(CO)(Cc2nc(C)c(C)s2)CC1 CCCC[*:1] Cc1nc(CC2(CO)CCC(CC2)[*:1])sc1C
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C2CC2)C1 CC(C)[*:1] O=C(N[C@H](Cc1ccccc1)C1CC1)[C@H]1CCCN(C1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C2CC2)C1 CC(C)C[*:1] O=C(N[C@H](Cc1ccccc1)C1CC1)[C@H]1CCCN(C1)C(=O)N[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C2CC2)C1 c1ccc(cc1)[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N[C@H](C[*:1])C1CC1
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C2CC2)C1 C1CC1[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N[C@H](Cc1ccccc1)[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C2CC2)C1 c1ccc(cc1)C[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N[C@H](C1CC1)[*:1]
CC(=O)c1ccc(NC(=O)CNC(=O)CC2CCCC2)cc1C C1CCC(C1)C[*:1] CC(=O)c1ccc(cc1C)NC(=O)CNC(=O)[*:1]
CC(=O)c1ccc(NC(=O)CNC(=O)CC2CCCC2)cc1C C1CCC(C1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)CNC(=O)C[*:1]
CC(=O)c1ccc(NC(=O)CNC(=O)CC2CCCC2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)CNC(=O)CC1CCCC1
C[C@H]1CCc2c(sc3nc(CCN4CCN(S(=O)(=O)c5ccccc5F)CC4)nc(N)c23)C1 Fc1ccccc1[*:1] C[C@H]1CCc2c(C1)sc1nc(CCN3CCN(CC3)S(=O)(=O)[*:1])nc(N)c21
O=C(c1nc(C2CC2)n2ccccc12)N1CCS[C@H]2CCCC[C@@H]21 C1CC1[*:1] O=C(c1nc(n2ccccc12)[*:1])N1CCS[C@H]2CCCC[C@@H]21
COc1cccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc(F)c2)S3)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)-c1nc2S[C@H](CC(=O)n2n1)[*:1]
COc1cccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc(F)c2)S3)c1 COc1cccc(c1)[*:1] O=C1C[C@H](Sc2nc(nn21)[*:1])c1cccc(F)c1
Cc1ccc([C@@H](C)NS(=O)(=O)c2cnc(Cl)nc2)cc1F Clc1ncc(cn1)[*:1] Cc1ccc(cc1F)[C@@H](C)NS(=O)(=O)[*:1]
CCn1c(=O)c(N2CCN(C(=O)CCc3ccccc3)CC2)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(=O)c(nc2ccccc21)N1CCN(CC1)C(=O)CC[*:1]
CCn1c(=O)c(N2CCN(C(=O)CCc3ccccc3)CC2)nc2ccccc21 c1ccc(cc1)CC[*:1] CCn1c(=O)c(nc2ccccc21)N1CCN(CC1)C(=O)[*:1]
CCn1c(=O)c(N2CCN(C(=O)CCc3ccccc3)CC2)nc2ccccc21 c1ccc(cc1)C[*:1] CCn1c(=O)c(nc2ccccc21)N1CCN(CC1)C(=O)C[*:1]
Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2 CC(C)[*:1] Cc1nn(-c2ccccc2)c2OC(N)=C(C#N)[C@]3(C(=O)N(c4ccccc43)[*:1])c12
Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2 c1ccc(cc1)[*:1] Cc1nn(c2OC(N)=C(C#N)[C@]3(C(=O)N(c4ccccc43)C(C)C)c12)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)C(N)=O CC(C)[C@H](C(N)=O)[*:1] O=C(N[*:1])[C@@H]1COc2ccc(F)cc2C1
CC(C)[C@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)C(N)=O NC(=O)[*:1] CC(C)[C@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
CC(C)[C@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)C(N)=O CC(C)[*:1] NC(=O)[C@@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
CC(=O)Nc1ccc(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 CC(=O)N[*:1] C[C@H](NC(=O)CSc1ccc(cc1)[*:1])c1ccc(Cl)cc1Cl
CC(=O)Nc1ccc(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] CC(=O)Nc1ccc(cc1)SCC(=O)N[C@@H](C)[*:1]
CCN(Cc1ccccc1Cl)C(=O)NCc1cc[nH+]c(N(C)C)c1 Clc1ccccc1C[*:1] CCN(C(=O)NCc1cc[nH+]c(c1)N(C)C)[*:1]
CCN(Cc1ccccc1Cl)C(=O)NCc1cc[nH+]c(N(C)C)c1 Clc1ccccc1[*:1] CCN(C[*:1])C(=O)NCc1cc[nH+]c(c1)N(C)C
CCN(Cc1ccccc1Cl)C(=O)NCc1cc[nH+]c(N(C)C)c1 CN(C)[*:1] CCN(Cc1ccccc1Cl)C(=O)NCc1cc[nH+]c(c1)[*:1]
CCOc1ccc(N2C(=O)C[C@@H]([NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 CCO[*:1] C[C@H]1[C@H](C)CCC[C@H]1[NH2+][C@@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
CCc1c(C(=O)COc2ccc(C(N)=O)cc2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)COc1ccc(cc1)C(N)=O
CCc1c(C(=O)COc2ccc(C(N)=O)cc2)[nH]c(C)c1C(C)=O NC(=O)[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)COc1ccc(cc1)[*:1]
Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 Cc1ccsc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] Cc1ccsc1C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
COCCOCCNC(=O)N1C[C@H](C)O[C@@H](C)C1 COCCO[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)NCC[*:1]
COCCOCCNC(=O)N1C[C@H](C)O[C@@H](C)C1 COCC[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)NCCO[*:1]
COCCOCCNC(=O)N1C[C@H](C)O[C@@H](C)C1 COCCOC[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)NC[*:1]
COCCOCCNC(=O)N1C[C@H](C)O[C@@H](C)C1 COC[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)NCCOC[*:1]
CCOc1ccc2c(c1)C[NH+](Cc1cc[nH]c1)CC2 c1cc(c[nH]1)[*:1] CCOc1ccc2CC[NH+](Cc2c1)C[*:1]
CCOc1ccc2c(c1)C[NH+](Cc1cc[nH]c1)CC2 c1cc(c[nH]1)C[*:1] CCOc1ccc2CC[NH+](Cc2c1)[*:1]
CCOc1ccc2c(c1)C[NH+](Cc1cc[nH]c1)CC2 CCO[*:1] c1cc(c[nH]1)C[NH+]1CCc2ccc(cc2C1)[*:1]
O=C(c1cccc(-n2cccn2)n1)N1CCCC1 c1cnn(c1)[*:1] O=C(c1cccc(n1)[*:1])N1CCCC1
Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H](C)C(C)(C)C CC(C)(C)[*:1] Cc1cc(ccc1NC(=O)N[C@@H](C)[*:1])Oc1ncccn1
Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H](C)C(C)(C)C c1cnc(nc1)O[*:1] Cc1cc(ccc1NC(=O)N[C@@H](C)C(C)(C)C)[*:1]
Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H](C)C(C)(C)C c1cnc(nc1)[*:1] Cc1cc(ccc1NC(=O)N[C@@H](C)C(C)(C)C)O[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+](C)C Clc1ccc(cc1)[*:1] CN(C[*:1])C(=O)NCc1ccccc1C[NH+](C)C
CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+](C)C Clc1ccc(cc1)C[*:1] CN(C(=O)NCc1ccccc1C[NH+](C)C)[*:1]
CCn1cc(NC(=O)C2CCN(C(=O)c3ccn(-c4ccc(F)cc4)n3)CC2)cn1 Fc1ccc(cc1)[*:1] CCn1cc(cn1)NC(=O)C1CCN(CC1)C(=O)c1ccn(n1)[*:1]
CCn1cc(NC(=O)C2CCN(C(=O)c3ccn(-c4ccc(F)cc4)n3)CC2)cn1 CCn1cc(cn1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccn(n1)-c1ccc(F)cc1
CCn1cc(NC(=O)C2CCN(C(=O)c3ccn(-c4ccc(F)cc4)n3)CC2)cn1 CCn1cc(cn1)NC(=O)[*:1] O=C(c1ccn(n1)-c1ccc(F)cc1)N1CCC(CC1)[*:1]
Cc1nc([C@H]2CN(Cc3c[nH+]cn3C)CCO2)cc(N2CCCC2)n1 C1CCN(C1)[*:1] Cc1nc(cc(n1)[*:1])[C@H]1CN(CCO1)Cc1c[nH+]cn1C
CN(CC(F)(F)F)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 O=C([O-])[*:1] CN(CC(F)(F)F)C(=O)N1CC(C1)n1cc(nn1)[*:1]
CN(CC(F)(F)F)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 FC(F)(F)[*:1] CN(C[*:1])C(=O)N1CC(C1)n1cc(nn1)C(=O)[O-]
CN(CC(F)(F)F)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 FC(F)(F)C[*:1] CN(C(=O)N1CC(C1)n1cc(nn1)C(=O)[O-])[*:1]
C[C@@H](C(=O)N(CCC#N)CCC#N)n1cccn1 N#CC[*:1] C[C@@H](C(=O)N(CCC#N)C[*:1])n1cccn1
C[C@@H](C(=O)N(CCC#N)CCC#N)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N(CCC#N)CCC#N)[*:1]
C[C@@H](C(=O)N(CCC#N)CCC#N)n1cccn1 N#CCC[*:1] C[C@@H](C(=O)N(CCC#N)[*:1])n1cccn1
CCOc1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)cc1 Cc1cc(=O)[nH]c(n1)[*:1] CCOc1ccc(cc1)NC(=O)CCc1c(C)nn(c1C)[*:1]
CCOc1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)cc1 CCOc1ccc(cc1)[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(C)c(CCC(=O)N[*:1])c1C
CCOc1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)cc1 CCO[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(C)c(CCC(=O)Nc2ccc(cc2)[*:1])c1C
CCCCn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCC(C)(C)C1)n2CC CCC[*:1] CCn1c(C[NH+]2CCC(C)(C)C2)nc2c1c(=O)[nH]c(=O)n2C[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCC(C)(C)C1)n2CC CCCC[*:1] CCn1c(C[NH+]2CCC(C)(C)C2)nc2c1c(=O)[nH]c(=O)n2[*:1]
COCCN1CC[NH+]([C@@H]2CCc3c(sc4ncn(Cc5cc6ccccc6s5)c(=O)c34)C2)CC1 COC[*:1] O=c1c2c3CC[C@H](Cc3sc2ncn1Cc1cc2ccccc2s1)[NH+]1CCN(CC1)C[*:1]
COCCN1CC[NH+]([C@@H]2CCc3c(sc4ncn(Cc5cc6ccccc6s5)c(=O)c34)C2)CC1 c1ccc2sc(cc2c1)[*:1] COCCN1CC[NH+](CC1)[C@@H]1CCc2c(C1)sc1ncn(C[*:1])c(=O)c21
COCCN1CC[NH+]([C@@H]2CCc3c(sc4ncn(Cc5cc6ccccc6s5)c(=O)c34)C2)CC1 c1ccc2sc(cc2c1)C[*:1] COCCN1CC[NH+](CC1)[C@@H]1CCc2c(C1)sc1ncn(c(=O)c21)[*:1]
COCCN1CC[NH+]([C@@H]2CCc3c(sc4ncn(Cc5cc6ccccc6s5)c(=O)c34)C2)CC1 COCC[*:1] O=c1c2c3CC[C@H](Cc3sc2ncn1Cc1cc2ccccc2s1)[NH+]1CCN(CC1)[*:1]
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(N)n1 Nc1nc(n[nH]1)S[*:1] C[C@H](CC#N)Sc1ccccc1NC(=O)C[*:1]
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(N)n1 N#CC[*:1] C[C@H](Sc1ccccc1NC(=O)CSc1n[nH]c(N)n1)[*:1]
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1n[nH]c(N)n1 Nc1nc(n[nH]1)[*:1] C[C@H](CC#N)Sc1ccccc1NC(=O)CS[*:1]
CC(C)CCC(=O)c1cncc(Br)c1 CC(C)C[*:1] O=C(C[*:1])c1cncc(Br)c1
CC(C)CCC(=O)c1cncc(Br)c1 CC(C)[*:1] O=C(CC[*:1])c1cncc(Br)c1
CCCNc1ncnc2c1cnn2-c1ccccc1 CCCN[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)[*:1]
CCCNc1ncnc2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] CCCNc1ncnc2c1cnn2[*:1]
CCCNc1ncnc2c1cnn2-c1ccccc1 CCC[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)N[*:1]
N#C[C@@H](CC(=O)N1CCCCC1)NC1CC1 C1CC1N[*:1] N#C[C@@H](CC(=O)N1CCCCC1)[*:1]
N#C[C@@H](CC(=O)N1CCCCC1)NC1CC1 C1CC1[*:1] N#C[C@@H](CC(=O)N1CCCCC1)N[*:1]
Cc1cccc(-c2nc(CNC(=O)c3cccnc3)cs2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)-c1nc(cs1)CNC(=O)[*:1]
Cc1cccc(-c2nc(CNC(=O)c3cccnc3)cs2)c1 Cc1cccc(c1)[*:1] O=C(NCc1csc(n1)[*:1])c1cccnc1
CC(C)Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 CC(C)C[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)[*:1])C(=O)N1CCOCC1
CC(C)Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)[*:1]
CC(C)Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 CC(C)[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)C[*:1])C(=O)N1CCOCC1
C[C@@H](C(=O)NC(C)(C)C)N(C(=O)[C@H]1COc2ccccc2O1)c1cnc2ccccc2c1 CC(C)(C)[*:1] C[C@@H](C(=O)N[*:1])N(C(=O)[C@H]1COc2ccccc2O1)c1cnc2ccccc2c1
C[C@@H](C(=O)NC(C)(C)C)N(C(=O)[C@H]1COc2ccccc2O1)c1cnc2ccccc2c1 c1ccc2ncc(cc2c1)[*:1] C[C@@H](C(=O)NC(C)(C)C)N(C(=O)[C@H]1COc2ccccc2O1)[*:1]
C[C@@H](C(=O)NC(C)(C)C)N(C(=O)[C@H]1COc2ccccc2O1)c1cnc2ccccc2c1 CC(C)(C)NC(=O)[*:1] C[C@@H](N(C(=O)[C@H]1COc2ccccc2O1)c1cnc2ccccc2c1)[*:1]
CC[C@@H](C)CN(C)c1cccc(Cl)c1/C=C/C(=O)[O-] CC[C@@H](C)[*:1] CN(C[*:1])c1cccc(Cl)c1/C=C/C(=O)[O-]
CC[C@@H](C)CN(C)c1cccc(Cl)c1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] CC[C@@H](C)CN(C)c1cccc(Cl)c1[*:1]
CC[C@@H](C)CN(C)c1cccc(Cl)c1/C=C/C(=O)[O-] CC[C@@H](C)C[*:1] CN(c1cccc(Cl)c1/C=C/C(=O)[O-])[*:1]
CC[C@@H](C)CN(C)c1cccc(Cl)c1/C=C/C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)CN(C)c1cccc(Cl)c1C=C[*:1]
CCn1cc(C(=O)NCc2cccc(OCC#N)c2)cn1 N#CC[*:1] CCn1cc(cn1)C(=O)NCc1cccc(c1)O[*:1]
CCn1cc(C(=O)NCc2cccc(OCC#N)c2)cn1 N#CCO[*:1] CCn1cc(cn1)C(=O)NCc1cccc(c1)[*:1]
CCn1cc(C(=O)NCc2cccc(OCC#N)c2)cn1 CCn1cc(cn1)[*:1] N#CCOc1cccc(c1)CNC(=O)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC[C@@H](C)NC(=O)C[*:1] O=C(NC[*:1])NC1CCN(CC1)C(=O)c1ccoc1
CC[C@@H](C)NC(=O)CCNC(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC[C@@H](C)[*:1] O=C(CCNC(=O)NC1CCN(CC1)C(=O)c1ccoc1)N[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] CC[C@@H](C)NC(=O)CCNC(=O)NC1CCN(CC1)C(=O)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC[C@@H](C)NC(=O)[*:1] O=C(NCC[*:1])NC1CCN(CC1)C(=O)c1ccoc1
CCc1cc(=O)n(CC(=O)Nc2ccc(OC)cc2OC)c(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] CCc1cc(=O)n(CC(=O)Nc2ccc(cc2OC)OC)c(n1)[*:1]
CCc1cc(=O)n(CC(=O)Nc2ccc(OC)cc2OC)c(-c2cccc(F)c2)n1 COc1ccc(c(c1)OC)[*:1] CCc1cc(=O)n(CC(=O)N[*:1])c(n1)-c1cccc(F)c1
COC(C)(C)CNC(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] COC(C)(C)CNC(=O)N1CCOC[C@H]1[*:1]
COC(C)(C)CNC(=O)N1CCOC[C@@H]1C1CC1 COC(C)(C)[*:1] O=C(NC[*:1])N1CCOC[C@@H]1C1CC1
COC(C)(C)CNC(=O)N1CCOC[C@@H]1C1CC1 COC(C)(C)C[*:1] O=C(N[*:1])N1CCOC[C@@H]1C1CC1
Cc1ccccc1OCC#CCNC(=O)c1cccc([N+](=O)[O-])c1C Cc1ccccc1[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NCC#CCO[*:1]
Cc1ccccc1OCC#CCNC(=O)c1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1ccccc1OCC#CCNC(=O)c1cccc(c1C)[*:1]
Cc1ccccc1OCC#CCNC(=O)c1cccc([N+](=O)[O-])c1C Cc1ccccc1O[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NCC#CC[*:1]
Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cc2coc3cc4c(cc23)CCC4)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cc1coc2cc3CCCc3cc12)NCCNS(=O)(=O)[*:1]
c1ccc(-c2noc(C3CC[NH+](CCc4c[nH]c5ccccc45)CC3)n2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c[nH]c2c1)CC[NH+]1CCC(CC1)c1nc(no1)[*:1]
c1ccc(-c2noc(C3CC[NH+](CCc4c[nH]c5ccccc45)CC3)n2)cc1 c1ccc2c(c[nH]c2c1)[*:1] c1ccc(cc1)-c1noc(n1)C1CC[NH+](CC1)CC[*:1]
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O O=S(=O)(N1CCCC1)[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1cc(ccc1O)[*:1]
C=CCn1c([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)n[nH]c1=S Clc1ccc(cc1)[*:1] C=CCn1c(n[nH]c1=S)[C@@H]1CCCN1C(=O)[*:1]
C=CCn1c([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)n[nH]c1=S C=CC[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1n[nH]c(=S)n1[*:1]
CSc1nc2nnc(-c3ccnc(N4CCc5ccccc54)n3)c(C)n2n1 c1ccc2c(c1)CCN2[*:1] CSc1nc2nnc(-c3ccnc(n3)[*:1])c(C)n2n1
CN(CC1(O)CCCC1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 OC1(CCCC1)C[*:1] CN(C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O)[*:1]
CN(CC1(O)CCCC1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] CN(CC1(O)CCCC1)C(=O)Nc1ccc(cc1)[*:1]
CN(CC1(O)CCCC1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 OC1(CCCC1)[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O
C[C@H]1CCCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O c1ccc(cc1)C[*:1] C[C@H]1CCCCN1C(=O)[C@H](N1C(=O)[C@H]2CCCC[C@H]2C1=O)[*:1]
C[C@H]1CCCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)[C@H](C[*:1])N1C(=O)[C@H]2CCCC[C@H]2C1=O
C[C@H]1CCCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O C[C@H]1CCCCN1C(=O)[*:1] O=C1[C@H]2CCCC[C@H]2C(=O)N1[C@@H](Cc1ccccc1)[*:1]
Cc1nc([C@H]([NH3+])C2CC2)no1 C1CC1[*:1] Cc1nc(no1)[C@H]([NH3+])[*:1]
COc1ccc(C2(CNC(=O)c3c(C)cc(C)[nH]c3=O)CCOCC2)cc1 Cc1cc(C)c(c(=O)[nH]1)[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)[*:1]
COc1ccc(C2(CNC(=O)c3c(C)cc(C)[nH]c3=O)CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)NCC2(CCOCC2)[*:1])c(=O)[nH]1
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C NC(=O)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)[*:1]
CCCCn1nc(C)c(/C=C/C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c1Cl Cc1noc(C)c1[*:1] CCCCn1nc(C)c(/C=C/C(=O)N2CCCN(CC2)S(=O)(=O)[*:1])c1Cl
CCCCn1nc(C)c(/C=C/C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c1Cl CCCC[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)N1CCCN(CC1)S(=O)(=O)c1c(C)noc1C)[*:1]
CCCCn1nc(C)c(/C=C/C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c1Cl CCC[*:1] Cc1nn(C[*:1])c(Cl)c1/C=C/C(=O)N1CCCN(CC1)S(=O)(=O)c1c(C)noc1C
O=C(Nc1ccc(Br)cn1)c1csc(-c2ccc3c(c2)OCO3)n1 Brc1ccc(nc1)[*:1] O=C(N[*:1])c1csc(n1)-c1ccc2OCOc2c1
O=C(CSC1=NCCS1)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CSC1=NCCS1)Nc1ccc(cc1)[*:1]
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NCc1cccc(C(=O)NC)c1 CNC(=O)[*:1] CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NCc1cccc(c1)[*:1]
COC(=O)COc1ccc(C(C)=O)cc1 COC(=O)C[*:1] CC(=O)c1ccc(cc1)O[*:1]
COC(=O)COc1ccc(C(C)=O)cc1 CC(=O)[*:1] COC(=O)COc1ccc(cc1)[*:1]
COC(=O)COc1ccc(C(C)=O)cc1 COC(=O)[*:1] CC(=O)c1ccc(cc1)OC[*:1]
CC1(C)[C@@H]2C=C(CCOC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1C2 O=[N+]([O-])[*:1] CC1(C)[C@@H]2C=C(CCOC(=O)c3ccc(cc3)[*:1])C[C@H]1C2
CN(C(=O)OC(C)(C)C)c1cc2ncc(Br)cc2o1 CC(C)(C)[*:1] CN(C(=O)O[*:1])c1cc2ncc(Br)cc2o1
Cc1c(NC(=O)[C@@]2(C)CC2(Br)Br)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)[C@@]2(C)CC2(Br)Br)c(=O)n(n1C)[*:1]
CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C CCOC(=O)[*:1] C[C@H](n1cnc2c1c(=O)n(C)c(=O)n2C)[*:1]
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1-c1ccc(/C=C(/C#N)C(=O)N[*:1])o1)[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)o1 O=[N+]([O-])[*:1] Cc1ccc(cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)o1)[*:1]
Cc1ccccc1OCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 Cc1ccccc1[*:1] O=C(NCCO[*:1])N1CCC[C@H](C1)[NH+]1CCCC1
Cc1ccccc1OCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 Cc1ccccc1O[*:1] O=C(NCC[*:1])N1CCC[C@H](C1)[NH+]1CCCC1
CCOc1cccc([C@@H](N)[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 CCO[*:1] C[C@H]1CCC[C@@](C1)([C@H](N)c1cccc(c1)[*:1])[NH+](C)C
Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)o1 Fc1ccccc1[*:1] Cc1cc(C)c(o1)C(=O)N[C@H]1CCCN(C1=O)[*:1]
Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)o1 Cc1cc(C)c(o1)[*:1] O=C1[C@H](CCCN1c1ccccc1F)NC(=O)[*:1]
C[C@H]1CN(Cc2nc(N)nc(N(C)C)n2)C(C)(C)CO1 CN(C)[*:1] C[C@H]1CN(Cc2nc(N)nc(n2)[*:1])C(C)(C)CO1
O=C(CCNC(=O)C1CCCC1)Nc1c[nH]ccc1=O C1CCC(C1)[*:1] O=C(CCNC(=O)[*:1])Nc1c[nH]ccc1=O
COC(=O)c1cccc(CSc2ccc(Cl)nn2)c1 COC(=O)[*:1] Clc1ccc(nn1)SCc1cccc(c1)[*:1]
Cc1cccc(CC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 CC(C)(C)NC(=O)[*:1] Cc1cccc(c1)CC(=O)NCC1CC[NH+](CC1)C[*:1]
Cc1cccc(CC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 CC(C)(C)[*:1] Cc1cccc(c1)CC(=O)NCC1CC[NH+](CC1)CC(=O)N[*:1]
Cc1cccc(CC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 CC(C)(C)NC(=O)C[*:1] Cc1cccc(c1)CC(=O)NCC1CC[NH+](CC1)[*:1]
Cc1cccc(CC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 Cc1cccc(c1)C[*:1] CC(C)(C)NC(=O)C[NH+]1CCC(CC1)CNC(=O)[*:1]
Cc1cccc(CC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 Cc1cccc(c1)[*:1] CC(C)(C)NC(=O)C[NH+]1CCC(CC1)CNC(=O)C[*:1]
CCOc1ccc(C2=CCN(Cc3nncn3C)CC2)cc1 Cn1cnnc1C[*:1] CCOc1ccc(cc1)C1=CCN(CC1)[*:1]
CCOc1ccc(C2=CCN(Cc3nncn3C)CC2)cc1 Cn1cnnc1[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C[*:1]
CCOc1ccc(C2=CCN(Cc3nncn3C)CC2)cc1 CCO[*:1] Cn1cnnc1CN1CC=C(CC1)c1ccc(cc1)[*:1]
COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1[*:1]
COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1 C1CCCN(CC1)[*:1] COC(=O)C1=C(C[*:1])NC(=O)N[C@@H]1c1cccc(c1)OC
COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1 COC(=O)[*:1] COc1cccc(c1)[C@H]1NC(=O)NC(CN2CCCCCC2)=C1[*:1]
COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1 C1CCCN(CC1)C[*:1] COC(=O)C1=C(NC(=O)N[C@@H]1c1cccc(c1)OC)[*:1]
CC(C)C(=O)OC[C@@H]1CCCN(c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1 CC(C)[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)N1CCC[C@@H](COC(=O)[*:1])C1
CC(C)C(=O)OC[C@@H]1CCCN(c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1 CC(C)C(=O)OC[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)N1CCC[C@H](C1)[*:1]
CC(C)C(=O)OC[C@@H]1CCCN(c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1 CC(C)C(=O)O[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)N1CCC[C@H](C1)C[*:1]
Cc1ncc(C(=O)NCc2scnc2-c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1ncc(C(=O)NCc2scnc2[*:1])c(=O)[nH]1
C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc2[nH]c(=O)[nH]c2c1 FC(F)(F)[*:1] C[C@H]([NH2+]CCNc1nccc(n1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
COc1sc(CN2CCCN(c3cccnn3)CC2)cc1Br c1cnnc(c1)[*:1] COc1sc(cc1Br)CN1CCCN(CC1)[*:1]
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 O=C(N[*:1])c1ccccc1 Cc1ccc(cc1NC(=O)c1ccc(cc1)NC(=O)[C@@H]1C[C@H]1C)[*:1]
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)c1ccc(cc1)NC(=O)[C@@H]1C[C@H]1C)NC(=O)[*:1]
O=C(CSc1ccccc1Cl)NCc1ccc2c(c1)OCCO2 Clc1ccccc1[*:1] O=C(CS[*:1])NCc1ccc2OCCOc2c1
COC(=O)c1ccc(Oc2ncnc(NNC(=O)c3ccc(C)cc3)c2N)cc1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)Oc1ncnc(NNC(=O)[*:1])c1N
COC(=O)c1ccc(Oc2ncnc(NNC(=O)c3ccc(C)cc3)c2N)cc1 COC(=O)[*:1] Cc1ccc(cc1)C(=O)NNc1ncnc(Oc2ccc(cc2)[*:1])c1N
Cc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1 Cc1cccc(c1)[*:1] O=C(NN=C[*:1])c1ccccc1-n1cccc1
Cc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1 c1ccn(c1)[*:1] Cc1cccc(/C=N/NC(=O)c2ccccc2[*:1])c1
O=C(NCCc1nc(-c2ccccn2)cs1)c1nccn2ccnc12 c1ccc(nc1)[*:1] O=C(NCCc1nc(cs1)[*:1])c1nccn2ccnc12
COc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)NN=C[*:1]
Cc1ncccc1N1C(=O)[C@H](CC(C)C)NC(=O)[C@H]1C CC(C)C[*:1] Cc1ncccc1N1C(=O)[C@H](NC(=O)[C@H]1C)[*:1]
Cc1ncccc1N1C(=O)[C@H](CC(C)C)NC(=O)[C@H]1C CC(C)[*:1] Cc1ncccc1N1C(=O)[C@H](C[*:1])NC(=O)[C@H]1C
COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N3CCOCC3)c3ccccc3C(=O)N1CC2 O=C(N1CCOCC1)[*:1] COc1cc2CCN3C(=O)c4ccccc4[C@@H]([C@H]3c2cc1OC)[*:1]
O=C(c1ccc(-n2cccc2)nc1)N(CC(F)F)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(c1ccc(nc1)-n1cccc1)N(CC(F)F)[*:1]
O=C(c1ccc(-n2cccc2)nc1)N(CC(F)F)c1cccc(Cl)c1 FC(F)C[*:1] O=C(c1ccc(nc1)-n1cccc1)N(c1cccc(Cl)c1)[*:1]
O=C(c1ccc(-n2cccc2)nc1)N(CC(F)F)c1cccc(Cl)c1 c1ccn(c1)[*:1] O=C(c1ccc(nc1)[*:1])N(CC(F)F)c1cccc(Cl)c1
O=C(c1ccc(-n2cccc2)nc1)N(CC(F)F)c1cccc(Cl)c1 FC(F)[*:1] O=C(c1ccc(nc1)-n1cccc1)N(C[*:1])c1cccc(Cl)c1
O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(Cc1ccc(Cl)cc1)N1CCC[C@H]1[*:1]
Cc1csc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)n1 Cc1csc(C[*:1])n1 C[NH+](C)CCN1C[C@H](CC1=O)C(=O)NC[*:1]
Cc1csc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)n1 Cc1csc(n1)[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)NCC[*:1]
O=C(COc1ccc2c(c1)OCO2)N1CC[C@H](Cc2ccc(CO)cc2)C1 c1cc2OCOc2cc1[*:1] O=C(CO[*:1])N1CC[C@H](Cc2ccc(cc2)CO)C1
O=C(COc1ccc2c(c1)OCO2)N1CC[C@H](Cc2ccc(CO)cc2)C1 OCc1ccc(cc1)C[*:1] O=C(COc1ccc2OCOc2c1)N1CC[C@H](C1)[*:1]
O=C(COc1ccc2c(c1)OCO2)N1CC[C@H](Cc2ccc(CO)cc2)C1 OCc1ccc(cc1)[*:1] O=C(COc1ccc2OCOc2c1)N1CC[C@@H](C1)C[*:1]
CC(=O)N1CCCC[C@H]1CC(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1 C1CN(CCO1)[*:1] CC(=O)N1CCCC[C@H]1CC(=O)N1C[C@H](C)[C@@H](C1)[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)N(CC(=O)[O-])c2ccccc2)C1 O=C([O-])[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N(C[*:1])c1ccccc1
[NH3+][C@@H]1C=C[C@H](C(=O)N(CC(=O)[O-])c2ccccc2)C1 O=C([O-])C[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N(c1ccccc1)[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)N(CC(=O)[O-])c2ccccc2)C1 c1ccc(cc1)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N(CC(=O)[O-])[*:1]
CS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3F)on2)c1 Fc1ccccc1[*:1] CS(=O)(=O)Nc1cccc(c1)NC(=O)c1cc(on1)[*:1]
CS(=O)(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3F)on2)c1 CS(=O)(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(on1)-c1ccccc1F
Cc1ccc(C)c(NC(=O)NCCOc2ccc3c(c2)CCC(=O)N3)c1 Cc1ccc(C)c(c1)[*:1] O=C1CCc2cc(ccc2N1)OCCNC(=O)N[*:1]
COCC[NH+]1CCCN(C(=O)Cn2nc(C)cc2C)CC1 COC[*:1] Cc1cc(C)n(CC(=O)N2CCC[NH+](CC2)C[*:1])n1
COCC[NH+]1CCCN(C(=O)Cn2nc(C)cc2C)CC1 COCC[*:1] Cc1cc(C)n(CC(=O)N2CCC[NH+](CC2)[*:1])n1
COCC[NH+]1CCCN(C(=O)Cn2nc(C)cc2C)CC1 Cc1cc(C)n(n1)[*:1] COCC[NH+]1CCCN(CC1)C(=O)C[*:1]
CC(C)CS(=O)(=O)CC(=O)NCC[NH+]1CCC(C)CC1 CC(C)C[*:1] CC1CC[NH+](CCNC(=O)CS(=O)(=O)[*:1])CC1
CC(C)CS(=O)(=O)CC(=O)NCC[NH+]1CCC(C)CC1 CC(C)[*:1] CC1CC[NH+](CCNC(=O)CS(=O)(=O)C[*:1])CC1
COC(=O)CCCCNC(=O)N1CCC(c2nc(C)no2)CC1 COC(=O)CC[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)NCC[*:1]
COC(=O)CCCCNC(=O)N1CCC(c2nc(C)no2)CC1 COC(=O)CCC[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)NC[*:1]
COC(=O)CCCCNC(=O)N1CCC(c2nc(C)no2)CC1 Cc1noc(n1)[*:1] COC(=O)CCCCNC(=O)N1CCC(CC1)[*:1]
COC(=O)CCCCNC(=O)N1CCC(c2nc(C)no2)CC1 COC(=O)C[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)NCCC[*:1]
COC(=O)CCCCNC(=O)N1CCC(c2nc(C)no2)CC1 COC(=O)[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)NCCCC[*:1]
CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cscn1)CC2 FC(F)(F)[*:1] CCOC(=O)c1nn(CC[*:1])c2CCN(Cc12)C(=O)c1cscn1
CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cscn1)CC2 CCOC(=O)[*:1] O=C(c1cscn1)N1CCc2c(C1)c(nn2CCC(F)(F)F)[*:1]
CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cscn1)CC2 c1nc(cs1)[*:1] CCOC(=O)c1nn(CCC(F)(F)F)c2CCN(Cc12)C(=O)[*:1]
CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cscn1)CC2 FC(F)(F)CC[*:1] CCOC(=O)c1nn(c2CCN(Cc12)C(=O)c1cscn1)[*:1]
CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cscn1)CC2 FC(F)(F)C[*:1] CCOC(=O)c1nn(C[*:1])c2CCN(Cc12)C(=O)c1cscn1
CC[C@H](C)[C@H](C)NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 CC[C@H](C)[*:1] C[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
O=C(NCCC[NH2+]C1CCCCC1)Nc1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] O=C(NCCC[NH2+]C1CCCCC1)Nc1cnn(c1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)C(=O)N[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2c(F)cccc2F)C1 CS(=O)(=O)[*:1] O=C(Nc1c(F)cccc1F)C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[C@H]1CCCC[C@@H]1CO c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)N[C@H]1CCCC[C@@H]1CO
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[C@H]1CCCC[C@@H]1CO c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CNC(=O)N[C@H]1CCCC[C@@H]1CO)[*:1]
Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCN(C=O)CC3)n2)n1 Cc1cc(C)n(n1)[*:1] O=CN1CCN(CC1)C(=O)Cn1nc(ccc1=O)[*:1]
C[C@@H]1C[NH+](Cc2c[nH]nc2C(C)(C)C)C[C@H]1C CC(C)(C)[*:1] C[C@@H]1C[NH+](Cc2c[nH]nc2[*:1])C[C@H]1C
CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H](C)c1nn(CC)c(=O)c2ccccc12 O=c1c2ccccc2cnn1[*:1] CC[C@@H](C[*:1])NC(=O)[C@H](C)c1nn(CC)c(=O)c2ccccc12
CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc([N-]S(=O)(=O)CC)cc2)C1 O=C([O-])[*:1] CCC[C@@]1(CCCN(C1)C(=O)c1ccc(cc1)[N-]S(=O)(=O)CC)[*:1]
CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc([N-]S(=O)(=O)CC)cc2)C1 CCC[*:1] CCS(=O)(=O)[N-]c1ccc(cc1)C(=O)N1CCC[C@](C1)(C(=O)[O-])[*:1]
O=C(NCc1cccs1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 c1csc(c1)[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1Cl
O=C(NCc1cccs1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(NCc1cccs1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCc1cccs1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 c1csc(c1)C[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1Cl
O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)NC1CCCC1 Fc1cccc(c1)[*:1] O=C(CN1C(=O)C(=C[*:1])Oc2ccccc21)NC1CCCC1
O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)NC1CCCC1 C1CCC(C1)[*:1] O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)N[*:1]
O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C1/C(=C\c2cccc(F)c2)Oc2ccccc2N1C[*:1]
O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)NC1CCCC1 O=C(C[*:1])NC1CCCC1 O=C1/C(=C\c2cccc(F)c2)Oc2ccccc2N1[*:1]
CC[C@H](C)N(C)C(=O)NCc1ccccc1Cn1cccn1 c1cnn(c1)[*:1] CC[C@H](C)N(C)C(=O)NCc1ccccc1C[*:1]
CC[C@H](C)N(C)C(=O)NCc1ccccc1Cn1cccn1 c1cnn(c1)C[*:1] CC[C@H](C)N(C)C(=O)NCc1ccccc1[*:1]
Cc1ccc([C@]2(C[NH2+]C(C)(C)C)CC[C@H]2C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)[C@@]1(CC[C@H]1C)C[NH2+][*:1]
Cc1nnc(-c2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)o1 Cc1nnc(o1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1F
CSCc1nc(=O)c(-c2ccc(F)cc2)c([O-])[nH]1 CSC[*:1] O=c1nc([nH]c([O-])c1-c1ccc(F)cc1)[*:1]
Cc1ccccc1CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCO Cc1ccccc1C[*:1] O=C1c2oc3ccccc3c(=O)c2[C@]2(C(=O)N(c3ccccc32)[*:1])N1CCCO
Cc1ccccc1CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCO OCCC[*:1] Cc1ccccc1CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2[*:1]
Cc1ccccc1CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCO Cc1ccccc1[*:1] O=C1c2oc3ccccc3c(=O)c2[C@]2(C(=O)N(C[*:1])c3ccccc32)N1CCCO
Cc1ccccc1CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCO OCC[*:1] Cc1ccccc1CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2C[*:1]
CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(CC1)C(=O)C=C[*:1]
CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(CC1)C(=O)[*:1]
CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1cc(cs1)[*:1] CN(C(=O)[*:1])[C@@H](Cc1ccccc1)C1CCN(CC1)C(=O)/C=C/c1ccccc1
CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 CN(C(=O)c1ccsc1)[*:1] O=C(/C=C/c1ccccc1)N1CCC(CC1)[C@H](Cc1ccccc1)[*:1]
CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccsc1)[C@@H](C1CCN(CC1)C(=O)/C=C/c1ccccc1)[*:1]
CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C(=O)c1ccsc1)[C@@H](C[*:1])C1CCN(CC1)C(=O)/C=C/c1ccccc1
CC[C@](C)(C(=O)c1ccoc1)[NH+]1CCCC1 c1cc(co1)[*:1] CC[C@](C)(C(=O)[*:1])[NH+]1CCCC1
NC(=O)[C@@H]1Cc2ccccc2N1Cc1nnc(-c2ccccc2Br)o1 NC(=O)[*:1] Brc1ccccc1-c1nnc(CN2c3ccccc3C[C@H]2[*:1])o1
NC(=O)[C@@H]1Cc2ccccc2N1Cc1nnc(-c2ccccc2Br)o1 Brc1ccccc1[*:1] NC(=O)[C@@H]1Cc2ccccc2N1Cc1nnc(o1)[*:1]
CC[C@H](CO)N1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 CC(=O)N[*:1] CC[C@H](CO)N1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC[C@H](CO)N1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 CC[C@H](CO)[*:1] CC(=O)Nc1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
CNS(=O)(=O)CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 CNS(=O)(=O)C[*:1] O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[*:1]
CNS(=O)(=O)CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 CNS(=O)(=O)[*:1] O=C(C[*:1])NC[C@@H](c1ccccc1)[NH+]1CCCC1
CNS(=O)(=O)CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] CNS(=O)(=O)CC(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
Cc1ccc(CC(=O)NCc2n[nH]c(=S)n2C(C)C)cn1 Cc1ccc(cn1)[*:1] CC(C)n1c(CNC(=O)C[*:1])n[nH]c1=S
Cc1ccc(CC(=O)NCc2n[nH]c(=S)n2C(C)C)cn1 CC(C)[*:1] Cc1ccc(cn1)CC(=O)NCc1n[nH]c(=S)n1[*:1]
CCCCN(CC[NH3+])C(=O)c1cc(C(F)(F)F)ccc1F CCCC[*:1] [NH3+]CCN(C(=O)c1cc(ccc1F)C(F)(F)F)[*:1]
CCCCN(CC[NH3+])C(=O)c1cc(C(F)(F)F)ccc1F [NH3+]CC[*:1] CCCCN(C(=O)c1cc(ccc1F)C(F)(F)F)[*:1]
CCCCN(CC[NH3+])C(=O)c1cc(C(F)(F)F)ccc1F CCC[*:1] [NH3+]CCN(C[*:1])C(=O)c1cc(ccc1F)C(F)(F)F
CCCCN(CC[NH3+])C(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CCCCN(CC[NH3+])C(=O)c1cc(ccc1F)[*:1]
C/[NH+]=C(/NCCCc1cccc(Br)c1)NC1CC1 C1CC1[*:1] C/[NH+]=C(/NCCCc1cccc(Br)c1)N[*:1]
Cc1ccc(CN2CCN(c3nccnc3C#N)C[C@@H]2C)cc1[N+](=O)[O-] N#Cc1nccnc1[*:1] Cc1ccc(cc1[N+](=O)[O-])CN1CCN(C[C@@H]1C)[*:1]
Cc1ccc(CN2CCN(c3nccnc3C#N)C[C@@H]2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])CN1CCN(C[C@@H]1C)c1nccnc1C#N
O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC(Cn2cc(C3CC3)nn2)CC1 FC(F)(F)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCC(CC1)Cn1cc(nn1)C1CC1
O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC(Cn2cc(C3CC3)nn2)CC1 C1CC1[*:1] O=C(c1cc(n[nH]1)C(F)(F)F)N1CCC(CC1)Cn1cc(nn1)[*:1]
O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC(Cn2cc(C3CC3)nn2)CC1 c1c(nnn1[*:1])C1CC1 O=C(c1cc(n[nH]1)C(F)(F)F)N1CCC(CC1)C[*:1]
CC(C)N[C@]1(C#N)CCC[C@H]1CCO[C@@H]1CCC[C@H](C)C1 CC(C)N[*:1] C[C@H]1CCC[C@H](C1)OCC[C@@H]1CCC[C@]1(C#N)[*:1]
CC(C)N[C@]1(C#N)CCC[C@H]1CCO[C@@H]1CCC[C@H](C)C1 CC(C)[*:1] C[C@H]1CCC[C@H](C1)OCC[C@@H]1CCC[C@@]1(C#N)N[*:1]
CC(C)N[C@]1(C#N)CCC[C@H]1CCO[C@@H]1CCC[C@H](C)C1 C[C@H]1CCC[C@H](C1)[*:1] CC(C)N[C@]1(C#N)CCC[C@H]1CCO[*:1]
CC[C@H]1CN(C(=O)c2ccc(C#N)c(C)n2)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@@H]1[*:1])C(=O)c1ccc(C#N)c(C)n1
Cc1ccccc1CCNC(=O)N[C@@H](CO)c1ccccc1 Cc1ccccc1[*:1] O=C(NCC[*:1])N[C@@H](CO)c1ccccc1
Cc1ccccc1CCNC(=O)N[C@@H](CO)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1CCNC(=O)N[C@@H](CO)[*:1]
CC(C)CCNC(=O)c1cc(Cl)sc1Cl CC(C)[*:1] O=C(NCC[*:1])c1cc(Cl)sc1Cl
CC(C)CCNC(=O)c1cc(Cl)sc1Cl CC(C)C[*:1] O=C(NC[*:1])c1cc(Cl)sc1Cl
CC(C)CCNC(=O)c1cc(Cl)sc1Cl CC(C)CC[*:1] O=C(N[*:1])c1cc(Cl)sc1Cl
CCCOCC(=O)NC1(c2ccc(F)cc2F)CCOCC1 CCC[*:1] O=C(CO[*:1])NC1(CCOCC1)c1ccc(F)cc1F
CCCOCC(=O)NC1(c2ccc(F)cc2F)CCOCC1 CCCOC[*:1] O=C(NC1(CCOCC1)c1ccc(F)cc1F)[*:1]
CCCOCC(=O)NC1(c2ccc(F)cc2F)CCOCC1 CCCO[*:1] O=C(C[*:1])NC1(CCOCC1)c1ccc(F)cc1F
O=C(NC(=S)Nc1ccccn1)c1ccccc1[N+](=O)[O-] c1ccc(nc1)[*:1] O=C(NC(=S)N[*:1])c1ccccc1[N+](=O)[O-]
O=C(NC(=S)Nc1ccccn1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NC(=S)Nc1ccccn1)c1ccccc1[*:1]
C[C@H]1[C@H](C(=O)[O-])[C@H](C)CC(=O)N1C1C(C)(C)C1(C)C O=C([O-])[*:1] C[C@H]1[C@H]([C@H](C)CC(=O)N1C1C(C)(C)C1(C)C)[*:1]
O=S(=O)(NCC1(c2cccs2)CC1)c1ccccc1Br c1csc(c1)[*:1] O=S(=O)(NCC1(CC1)[*:1])c1ccccc1Br
O=C(Cc1ccn[nH]1)Nc1cnc(-c2ccccc2)s1 c1cc([nH]n1)[*:1] O=C(C[*:1])Nc1cnc(s1)-c1ccccc1
O=C(Cc1ccn[nH]1)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(Cc1ccn[nH]1)Nc1cnc(s1)[*:1]
O=C(Cc1ccn[nH]1)Nc1cnc(-c2ccccc2)s1 c1cc(C[*:1])[nH]n1 O=C(Nc1cnc(s1)-c1ccccc1)[*:1]
Cc1nc(CC(=O)N[C@@H](c2ccccc2)c2nnc(N)s2)cs1 Cc1nc(cs1)[*:1] Nc1nnc(s1)[C@@H](NC(=O)C[*:1])c1ccccc1
Cc1nc(CC(=O)N[C@@H](c2ccccc2)c2nnc(N)s2)cs1 Nc1nnc(s1)[*:1] Cc1nc(cs1)CC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1nc(CC(=O)N[C@@H](c2ccccc2)c2nnc(N)s2)cs1 Cc1nc(cs1)C[*:1] Nc1nnc(s1)[C@@H](NC(=O)[*:1])c1ccccc1
Cc1nc(CC(=O)N[C@@H](c2ccccc2)c2nnc(N)s2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)N[C@@H](c1nnc(N)s1)[*:1]
O=C(Nc1ccn(-c2ccccc2)n1)c1cnns1 c1ccc(cc1)[*:1] O=C(Nc1ccn(n1)[*:1])c1cnns1
O=C(Nc1ccn(-c2ccccc2)n1)c1cnns1 c1nnsc1[*:1] O=C(Nc1ccn(n1)-c1ccccc1)[*:1]
CCCOc1cccc([C@@H]2NC(=O)[C@@H]3COCCN32)c1 CCCO[*:1] O=C1N[C@@H](c2cccc(c2)[*:1])N2CCOC[C@@H]12
CCCOc1cccc([C@@H]2NC(=O)[C@@H]3COCCN32)c1 CCC[*:1] O=C1N[C@@H](c2cccc(c2)O[*:1])N2CCOC[C@@H]12
O=C(Cc1noc2ccccc12)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F c1ccc2c(noc2c1)[*:1] O=C(C[*:1])N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F
O=C(Cc1noc2ccccc12)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(Cc1noc2ccccc12)N[C@H]1CCC[C@H]1c1ccccc1[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@@H]1CC(C)(C)C CC(C)(C)C[*:1] CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@H]1[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@@H]1CC(C)(C)C CC(C)(C)[*:1] CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@@H]1C[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@@H]1CC(C)(C)C FC(F)(F)C[*:1] CN(C(=O)CNC(=O)N1CCC[C@@H]1CC(C)(C)C)[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)N1CCC[C@@H]1CC(C)(C)C FC(F)(F)[*:1] CN(C[*:1])C(=O)CNC(=O)N1CCC[C@@H]1CC(C)(C)C
C[C@H]1C[C@@H]([NH2+]CC2CCC2)CC(C)(C)C1 C1CC(C1)[*:1] C[C@H]1C[C@H](CC(C)(C)C1)[NH2+]C[*:1]
C[C@H]1C[C@@H]([NH2+]CC2CCC2)CC(C)(C)C1 C1CC(C1)C[*:1] C[C@H]1C[C@H](CC(C)(C)C1)[NH2+][*:1]
N#CC1(NC(=O)CSc2ccccn2)CCCCCC1 c1ccc(nc1)[*:1] N#CC1(CCCCCC1)NC(=O)CS[*:1]
CS(=O)(=O)CCCNC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 CS(=O)(=O)[*:1] O=C(NCCC[*:1])N[C@H]1C=C[C@H](C1)C(=O)[O-]
CS(=O)(=O)CCCNC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 CS(=O)(=O)CC[*:1] O=C(NC[*:1])N[C@H]1C=C[C@H](C1)C(=O)[O-]
CS(=O)(=O)CCCNC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 CS(=O)(=O)C[*:1] O=C(NCC[*:1])N[C@H]1C=C[C@H](C1)C(=O)[O-]
CS(=O)(=O)CCCNC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CS(=O)(=O)CCCNC(=O)N[C@H]1C=C[C@@H](C1)[*:1]
COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1OCC1CC1 C1CC1[*:1] COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1OC[*:1]
COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1OCC1CC1 COC(=O)[*:1] O=C(Nc1ccccc1OCC1CC1)N[C@@H]1CCC[C@@H]1[*:1]
COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1OCC1CC1 C1CC1CO[*:1] COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1[*:1]
COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1OCC1CC1 C1CC1C[*:1] COC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1O[*:1]
C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccccc2[*:1])C1
C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])C1 O=[N+]([O-])c1ccccc1[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[*:1])C1
COC(=O)[C@@H]1CS(=O)(=O)[C@H]2CCC(C)(C)[C@H]2N1 COC(=O)[*:1] CC1(C)CC[C@H]2[C@@H]1N[C@@H](CS2(=O)=O)[*:1]
COc1ccc2c(c1)O[C@@](O)(C(F)(F)F)CC2=O FC(F)(F)[*:1] COc1ccc2C(=O)C[C@](O)(Oc2c1)[*:1]
COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 COc1ccc(cc1)C[*:1] O=C1CSc2ccc(cc2N1)S(=O)(=O)CCC(=O)N[*:1]
COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 COc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)c1ccc2SCC(=O)Nc2c1)NC[*:1]
CC(C)[NH+](C)CC(=O)Nc1ccnn1Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)[NH+](C)CC(=O)Nc1ccnn1C[*:1]
CC(C)[NH+](C)CC(=O)Nc1ccnn1Cc1ccc(Br)cc1 CC(C)[*:1] C[NH+](CC(=O)Nc1ccnn1Cc1ccc(Br)cc1)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] COc1ccc(cc1NC(=O)C[C@H](C)NC(=O)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)NC(=O)C1CCCCC1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)C[C@H](C)NC(=O)C1CCCCC1)[*:1]
Cc1cccc(C)c1OCCC(=O)N[C@H](C(N)=O)C(C)(C)C CC(C)(C)[*:1] Cc1cccc(C)c1OCCC(=O)N[C@H](C(N)=O)[*:1]
Cc1cccc(C)c1OCCC(=O)N[C@H](C(N)=O)C(C)(C)C NC(=O)[*:1] Cc1cccc(C)c1OCCC(=O)N[C@H](C(C)(C)C)[*:1]
COc1ccc(CC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[*:1]
COc1ccc(CC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 COc1ccc(cc1)C[*:1] O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)[*:1]
COc1ccc(CC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)NC[C@@H](N1CCOCC1)[*:1]
COc1ccc(CC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1
NNc1cc(COCC2CCCC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] NNc1cc(ccc1[*:1])COCC1CCCC1
NNc1cc(COCC2CCCC2)ccc1[N+](=O)[O-] C1CCC(C1)C[*:1] NNc1cc(ccc1[N+](=O)[O-])CO[*:1]
NNc1cc(COCC2CCCC2)ccc1[N+](=O)[O-] C1CCC(C1)[*:1] NNc1cc(ccc1[N+](=O)[O-])COC[*:1]
CC(=O)NCCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] CC(=O)NCCc1ccc(cc1)-c1csc(n1)[*:1]
CC(=O)NCCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1 CC(=O)NC[*:1] Fc1ccc(cc1)-c1nc(cs1)-c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1 CC(=O)N[*:1] Fc1ccc(cc1)-c1nc(cs1)-c1ccc(cc1)CC[*:1]
CC(=O)NCCc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1 CC(=O)NCC[*:1] Fc1ccc(cc1)-c1nc(cs1)-c1ccc(cc1)[*:1]
Cc1sc2nc(SCC(=O)N3CCCCCC3)n(-c3ccccc3)c(=O)c2c1C O=C(N1CCCCCC1)[*:1] Cc1sc2nc(SC[*:1])n(-c3ccccc3)c(=O)c2c1C
Cc1sc2nc(SCC(=O)N3CCCCCC3)n(-c3ccccc3)c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2nc(SCC(=O)N3CCCCCC3)n(c(=O)c2c1C)[*:1]
CO[C@H]1CCCN(c2cc(-c3nc(C)no3)cc[nH+]2)C1 Cc1noc(n1)[*:1] CO[C@H]1CCCN(C1)c1cc(cc[nH+]1)[*:1]
CNC(=O)CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 CNC(=O)CNC(=O)[*:1] O=c1n(CC2CC2)c2cc(ccc2n1C1CCCCC1)[*:1]
CNC(=O)CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 CNC(=O)C[*:1] O=C(N[*:1])c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
CNC(=O)CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 C1CCC(CC1)[*:1] CNC(=O)CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2[*:1]
CNC(=O)CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 C1CC1C[*:1] CNC(=O)CNC(=O)c1ccc2c(c1)n(c(=O)n2C1CCCCC1)[*:1]
CNC(=O)CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 CNC(=O)[*:1] O=C(NC[*:1])c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1
CNC(=O)CNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 C1CC1[*:1] CNC(=O)CNC(=O)c1ccc2c(c1)n(C[*:1])c(=O)n2C1CCCCC1
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)[*:1])C(=O)c1ccc(=O)[nH]c1
C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H](c2ccccc2)O1 O=c1ccc(c[nH]1)[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)[*:1]
Cc1ccc([C@@](O)(CC(=O)N[C@@H]2CCCC[C@@H]2O)C(F)(F)F)o1 Cc1ccc(o1)[*:1] O=C(C[C@](O)(C(F)(F)F)[*:1])N[C@@H]1CCCC[C@@H]1O
Cc1ccc([C@@](O)(CC(=O)N[C@@H]2CCCC[C@@H]2O)C(F)(F)F)o1 O[C@H]1CCCC[C@H]1[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)N[*:1])C(F)(F)F
Cc1ccc([C@@](O)(CC(=O)N[C@@H]2CCCC[C@@H]2O)C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)N[C@@H]1CCCC[C@@H]1O)[*:1]
N#CCc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 N#CC[*:1] O=C(NCc1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
N#CCc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] N#CCc1ccc(cc1)NC(=O)NCc1ccc(cc1)[*:1]
C=CCn1c(=O)oc2ccc(C(=O)Nc3cccnc3)cc21 C=CC[*:1] O=C(Nc1cccnc1)c1ccc2oc(=O)n(c2c1)[*:1]
C=CCn1c(=O)oc2ccc(C(=O)Nc3cccnc3)cc21 c1cncc(c1)[*:1] C=CCn1c(=O)oc2ccc(cc21)C(=O)N[*:1]
O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2ccccc12)[C@@H]1CCCC[NH2+]1 Clc1ccc(cc1)[*:1] O[C@@H](c1cc(nc2ccccc12)[*:1])[C@@H]1CCCC[NH2+]1
COC[C@@H]1CCN(C(=O)N[C@H]2CCCCC[C@@H]2C(=O)[O-])C1 COC[*:1] O=C([O-])[C@H]1CCCCC[C@@H]1NC(=O)N1CC[C@H](C1)[*:1]
COC[C@@H]1CCN(C(=O)N[C@H]2CCCCC[C@@H]2C(=O)[O-])C1 O=C([O-])[*:1] COC[C@@H]1CCN(C1)C(=O)N[C@H]1CCCCC[C@H]1[*:1]
C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC1 C[C@H](C1CC1)[*:1] CC(C)(C(=O)O[*:1])n1cc(cn1)[N+](=O)[O-]
C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC1 O=[N+]([O-])[*:1] C[C@H](OC(=O)C(C)(C)n1cc(cn1)[*:1])C1CC1
C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC1 C1CC1[*:1] C[C@H](OC(=O)C(C)(C)n1cc(cn1)[N+](=O)[O-])[*:1]
CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2COc3ccc(F)cc3C2)CC1 CCS(=O)(=O)N[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N1CCC(CC1)[*:1]
CNC(=O)C[NH+]1CCCN(CCCCC[NH3+])CC1 CNC(=O)[*:1] [NH3+]CCCCCN1CCC[NH+](CC1)C[*:1]
CNC(=O)C[NH+]1CCCN(CCCCC[NH3+])CC1 [NH3+]CC[*:1] CNC(=O)C[NH+]1CCCN(CCC[*:1])CC1
CNC(=O)C[NH+]1CCCN(CCCCC[NH3+])CC1 CNC(=O)C[*:1] [NH3+]CCCCCN1CCC[NH+](CC1)[*:1]
CNC(=O)C[NH+]1CCCN(CCCCC[NH3+])CC1 [NH3+]CCCC[*:1] CNC(=O)C[NH+]1CCCN(CC1)C[*:1]
CNC(=O)C[NH+]1CCCN(CCCCC[NH3+])CC1 [NH3+]CCC[*:1] CNC(=O)C[NH+]1CCCN(CC1)CC[*:1]
CNC(=O)C[NH+]1CCCN(CCCCC[NH3+])CC1 [NH3+]CCCCC[*:1] CNC(=O)C[NH+]1CCCN(CC1)[*:1]
CC(=O)Nc1ccc(/N=C2\C(=O)N(c3ccc(NC(C)=O)cc3)[C@H](c3ccccc3)[C@H]2CC(=O)[O-])cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)/N=C1\C(=O)N(c2ccc(cc2)NC(C)=O)[C@H]([C@H]1CC(=O)[O-])[*:1]
CC(=O)Nc1ccc(/N=C2\C(=O)N(c3ccc(NC(C)=O)cc3)[C@H](c3ccccc3)[C@H]2CC(=O)[O-])cc1 CC(=O)N[*:1] CC(=O)Nc1ccc(cc1)/N=C1\C(=O)N(c2ccc(cc2)[*:1])[C@H](c2ccccc2)[C@H]1CC(=O)[O-]
CC(=O)Nc1ccc(/N=C2\C(=O)N(c3ccc(NC(C)=O)cc3)[C@H](c3ccccc3)[C@H]2CC(=O)[O-])cc1 CC(=O)N[*:1] CC(=O)Nc1ccc(cc1)N1C(=O)/C(=N\c2ccc(cc2)[*:1])[C@H](CC(=O)[O-])[C@H]1c1ccccc1
CC(=O)Nc1ccc(/N=C2\C(=O)N(c3ccc(NC(C)=O)cc3)[C@H](c3ccccc3)[C@H]2CC(=O)[O-])cc1 CC(=O)Nc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)/N=C1\C(=O)N([C@H](c2ccccc2)[C@H]1CC(=O)[O-])[*:1]
CC(=O)Nc1ccc(/N=C2\C(=O)N(c3ccc(NC(C)=O)cc3)[C@H](c3ccccc3)[C@H]2CC(=O)[O-])cc1 CC(=O)Nc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)N1C(=O)C(=N[*:1])[C@H](CC(=O)[O-])[C@H]1c1ccccc1
COC(=O)C1CCN(C(=O)NCCCc2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] COC(=O)C1CCN(CC1)C(=O)NCCC[*:1]
COC(=O)C1CCN(C(=O)NCCCc2c(C)noc2C)CC1 COC(=O)[*:1] Cc1noc(C)c1CCCNC(=O)N1CCC(CC1)[*:1]
Cc1cccc(NC(=O)C(=O)NCCCCc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)C(=O)NCCCC[*:1])c1C
Cc1cccc(NC(=O)C(=O)NCCCCc2ccccc2)c1C Cc1cccc(c1C)[*:1] O=C(NCCCCc1ccccc1)C(=O)N[*:1]
Cc1cccc(NC(=O)C(=O)NCCCCc2ccccc2)c1C c1ccc(cc1)C[*:1] Cc1cccc(NC(=O)C(=O)NCCC[*:1])c1C
Cc1cccc(NC(=O)C(=O)NCCCCc2ccccc2)c1C c1ccc(cc1)CC[*:1] Cc1cccc(NC(=O)C(=O)NCC[*:1])c1C
C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@@H]5CCCCNC5=O)CC[C@@]43C)[C@@H]1CC[C@H]2O O=C1NCCCC[C@H]1[*:1] C[C@]12CC[C@@H]3[C@H](CCC4=C/C(CC[C@@]43C)=N\OCC(=O)N[*:1])[C@@H]1CC[C@H]2O
C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@@H]5CCCCNC5=O)CC[C@@]43C)[C@@H]1CC[C@H]2O O=C1NCCCC[C@H]1NC(=O)[*:1] C[C@]12CC[C@@H]3[C@H](CCC4=C/C(CC[C@@]43C)=N\OC[*:1])[C@@H]1CC[C@H]2O
C[C@@H](CNC(=O)c1csc2c1CCCC2)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1csc2CCCCc12)[*:1]
C[NH+](CCNc1c(Cl)cccc1C#N)C1CC1 C1CC1[*:1] C[NH+](CCNc1c(Cl)cccc1C#N)[*:1]
CCc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1 CCc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)Nc1ccccc1
CCc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1 CCc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1cccc(c1)C(=O)Nc1ccccc1
CCc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1 O=C(Nc1ccccc1)[*:1] CCc1ccc(cc1)OCC(=O)Nc1cccc(c1)[*:1]
CCc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)OCC(=O)Nc1cccc(c1)C(=O)N[*:1]
CSc1nc(N2CC[NH+](CC(N)=O)CC2)c2c3c(sc2n1)CCCC3 NC(=O)C[*:1] CSc1nc(c2c3CCCCc3sc2n1)N1CC[NH+](CC1)[*:1]
CSc1nc(N2CC[NH+](CC(N)=O)CC2)c2c3c(sc2n1)CCCC3 NC(=O)[*:1] CSc1nc(c2c3CCCCc3sc2n1)N1CC[NH+](CC1)C[*:1]
CC(C)(CNC(=O)[C@@]1(C)CCCc2ccccc21)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)[C@@]1(C)CCCc2ccccc21)[*:1]
CCC[NH2+][C@@H](c1cccc(Cl)c1)[C@]1(C)CCCO1 CCC[*:1] C[C@]1(CCCO1)[C@@H]([NH2+][*:1])c1cccc(Cl)c1
CC[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)c1cc2cc(F)ccc2o1)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCN(CC1)c1ccc(F)cc1
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
C[C@H](SCc1ccccc1)C(=O)O[C@@H](C)c1nccs1 c1ccc(cc1)[*:1] C[C@H](SC[*:1])C(=O)O[C@@H](C)c1nccs1
C[C@H](SCc1ccccc1)C(=O)O[C@@H](C)c1nccs1 c1csc(n1)[*:1] C[C@H](SCc1ccccc1)C(=O)O[C@@H](C)[*:1]
Cc1ccc(OCC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cc1C Cc1ccc(cc1C)O[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cn2ccccc2[nH+]1
Cc1ccc(OCC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(CO[*:1])N1CCN(CC1)Cc1cn2ccccc2[nH+]1
O=C1CCC[C@@H]2[C@@H](C(F)(F)F)CCCN12 FC(F)(F)[*:1] O=C1CCC[C@@H]2[C@@H](CCCN12)[*:1]
C[S@@](=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)C(=O)N[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)Cc1ccccc1F C=CC[*:1] C[C@@H](Cc1ccccc1F)NC(=O)N(Cc1cccc(C#N)c1)[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)Cc1ccccc1F Fc1ccccc1C[*:1] C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)Cc1ccccc1F N#Cc1cccc(c1)[*:1] C=CCN(C[*:1])C(=O)N[C@@H](C)Cc1ccccc1F
C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)Cc1ccccc1F Fc1ccccc1[*:1] C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)C[*:1]
O=C([O-])CCCC[NH+]1CC2(CCOCC2)C1 O=C([O-])CC[*:1] C1CC2(CCO1)C[NH+](CC[*:1])C2
O=C([O-])CCCC[NH+]1CC2(CCOCC2)C1 O=C([O-])[*:1] C(CC[*:1])C[NH+]1CC2(CCOCC2)C1
O=C([O-])CCCC[NH+]1CC2(CCOCC2)C1 O=C([O-])C[*:1] C(C[NH+]1CC2(CCOCC2)C1)C[*:1]
COc1ccc(OC)c(/C=C2\Oc3c(cc4c(c3C)OCN(C(C)C)C4)C2=O)c1 CC(C)[*:1] COc1ccc(OC)c(/C=C2\Oc3c(cc4CN(COc4c3C)[*:1])C2=O)c1
O=C(CSc1nnc(COc2ccccc2)o1)N1CCCCC1 c1ccc(cc1)O[*:1] O=C(CSc1nnc(C[*:1])o1)N1CCCCC1
O=C(CSc1nnc(COc2ccccc2)o1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(CSc1nnc(CO[*:1])o1)N1CCCCC1
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cnn(Cc3ccccc3)c2)NC(=S)N1 Clc1ccc(cc1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1cnn(c1)Cc1ccccc1
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cnn(Cc3ccccc3)c2)NC(=S)N1 c1ccc(cc1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)Nc1ccc(Cl)cc1)c1cnn(c1)C[*:1]
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cnn(Cc3ccccc3)c2)NC(=S)N1 c1ccc(cc1)C[*:1] CC1NC(=S)N[C@H](C=1C(=O)Nc1ccc(Cl)cc1)c1cnn(c1)[*:1]
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cnn(Cc3ccccc3)c2)NC(=S)N1 O=C(Nc1ccc(Cl)cc1)[*:1] CC1NC(=S)N[C@H](C=1[*:1])c1cnn(c1)Cc1ccccc1
CC1([C@H](O)c2cnn(-c3ccccc3)c2)CCCC1 c1ccc(cc1)[*:1] CC1(CCCC1)[C@H](O)c1cnn(c1)[*:1]
CC1([C@H](O)c2cnn(-c3ccccc3)c2)CCCC1 CC1(CCCC1)[*:1] O[C@H](c1cnn(c1)-c1ccccc1)[*:1]
Cc1ccc(Cl)c(OC(=O)CN(C)C(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(Cl)c(c1)OC(=O)CN(C)C(=O)[*:1]
O=C(Cc1csc(Nc2ccccn2)n1)Nc1ccc(Cl)cc1 c1ccc(nc1)[*:1] O=C(Cc1csc(n1)N[*:1])Nc1ccc(Cl)cc1
O=C(Cc1csc(Nc2ccccn2)n1)Nc1ccc(Cl)cc1 c1ccc(nc1)N[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc(Cl)cc1
O=C(Cc1csc(Nc2ccccn2)n1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cc1csc(n1)Nc1ccccn1)N[*:1]
CC[C@H]1CCC[C@](C[NH3+])([C@H](O)CCSC)C1 CSC[*:1] CC[C@H]1CCC[C@@](C[NH3+])(C1)[C@H](O)C[*:1]
CC[C@H]1CCC[C@](C[NH3+])([C@H](O)CCSC)C1 CSCC[*:1] CC[C@H]1CCC[C@@](C[NH3+])(C1)[C@H](O)[*:1]
COc1ccc(CCC(=O)Oc2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCC(=O)O[*:1]
CCC[C@H](C(=O)OCC)c1nc2ccc(F)cc2[nH]1 CCC[*:1] CCOC(=O)[C@H](c1nc2ccc(F)cc2[nH]1)[*:1]
CCC[C@H](C(=O)OCC)c1nc2ccc(F)cc2[nH]1 CCOC(=O)[*:1] CCC[C@H](c1nc2ccc(F)cc2[nH]1)[*:1]
C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)c1nc2ccccc2c(=O)[nH]1 c1ccc(cc1)C[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1[*:1])c1nc2ccccc2c(=O)[nH]1
C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)c1nc2ccccc2c(=O)[nH]1 c1ccc(cc1)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1C[*:1])c1nc2ccccc2c(=O)[nH]1
C[C@@H]1CCC2=C(C1)[C@H]([C@@H]1NC(c3ccccc3Cl)=NO1)N=N2 Clc1ccccc1[*:1] C[C@@H]1CCC2N=N[C@H](C=2C1)[C@@H]1NC(=NO1)[*:1]
Cc1nc(CCCN(CCO)c2ccc(Br)cc2)cs1 OCC[*:1] Cc1nc(cs1)CCCN(c1ccc(Br)cc1)[*:1]
Cc1nc(CCCN(CCO)c2ccc(Br)cc2)cs1 Cc1nc(cs1)[*:1] OCCN(CCC[*:1])c1ccc(Br)cc1
CC(C)[C@@](C)(C#N)NC(=O)CN1CCCSc2ccccc21 CC(C)[*:1] C[C@@](C#N)(NC(=O)CN1CCCSc2ccccc21)[*:1]
CCCc1cc(NC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)c1ccc(cc1)S[C@H]1CCOC1=O)[*:1]
CC(C)COc1ncccc1C(=O)N(C)Cc1nc2c(s1)CCCC2 CC(C)CO[*:1] CN(Cc1nc2CCCCc2s1)C(=O)c1cccnc1[*:1]
CC(C)COc1ncccc1C(=O)N(C)Cc1nc2c(s1)CCCC2 CC(C)C[*:1] CN(Cc1nc2CCCCc2s1)C(=O)c1cccnc1O[*:1]
CC(C)COc1ncccc1C(=O)N(C)Cc1nc2c(s1)CCCC2 CC(C)[*:1] CN(Cc1nc2CCCCc2s1)C(=O)c1cccnc1OC[*:1]
CC(C)C[C@@H]1COCCN1C(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O CC(C)C[*:1] CC(C)n1ncc2cc(/C=C/C(=O)N3CCOC[C@H]3[*:1])c(=O)[nH]c21
CC(C)C[C@@H]1COCCN1C(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O CC(C)[*:1] CC(C)n1ncc2cc(/C=C/C(=O)N3CCOC[C@H]3C[*:1])c(=O)[nH]c21
CC(C)C[C@@H]1COCCN1C(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O CC(C)[*:1] CC(C)C[C@@H]1COCCN1C(=O)/C=C/c1cc2cnn(c2[nH]c1=O)[*:1]
Cc1ccc(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)CCNC(=O)[*:1]
COC(=O)[C@@H]1C([O-])=C(C)C(=O)C[C@H]1C COC(=O)[*:1] CC1C(=O)C[C@@H](C)[C@@H](C=1[O-])[*:1]
N#CCOc1cccc(CC(=O)NCCc2ccc(F)cc2F)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])NCCc1ccc(F)cc1F
N#CCOc1cccc(CC(=O)NCCc2ccc(F)cc2F)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])NCCc1ccc(F)cc1F
N#CCOc1cccc(CC(=O)NCCc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] N#CCOc1cccc(c1)CC(=O)NCC[*:1]
Cc1c([C@@H](C)NC(=O)CCc2nc3ccccc3s2)cnn1-c1ccc(F)cc1 c1ccc2sc(nc2c1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NC(=O)CC[*:1]
Cc1c([C@@H](C)NC(=O)CCc2nc3ccccc3s2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC(=O)CCc1nc2ccccc2s1
O=[N+]([O-])c1ccc(N2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 O=[N+]([O-])[*:1] O[C@@H](C[C@@H]1CCCCCN1c1ccc(cc1)[*:1])c1ccco1
O=[N+]([O-])c1ccc(N2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 O[C@@H](C[*:1])c1ccco1 O=[N+]([O-])c1ccc(cc1)N1CCCCC[C@@H]1[*:1]
O=[N+]([O-])c1ccc(N2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 c1coc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)N1CCCCC[C@H]1C[C@H](O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)c(CCNC(=O)COc2ccc(-c3nnco3)cc2)c(C)c1 c1nnc(o1)[*:1] Cc1cc(C)c(CCNC(=O)COc2ccc(cc2)[*:1])c(C)c1
Cc1cc(C)c(CCNC(=O)COc2ccc(-c3nnco3)cc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(COc1ccc(cc1)-c1nnco1)NCC[*:1]
Cc1ccc(Cc2c(C)nc3nc(CC(=O)NC(C)C)nn3c2C)cc1 Cc1ccc(cc1)[*:1] Cc1nc2nc(CC(=O)NC(C)C)nn2c(C)c1C[*:1]
Cc1ccc(Cc2c(C)nc3nc(CC(=O)NC(C)C)nn3c2C)cc1 CC(C)NC(=O)C[*:1] Cc1ccc(cc1)Cc1c(C)nc2nc(nn2c1C)[*:1]
Cc1ccc(Cc2c(C)nc3nc(CC(=O)NC(C)C)nn3c2C)cc1 CC(C)[*:1] Cc1ccc(cc1)Cc1c(C)nc2nc(CC(=O)N[*:1])nn2c1C
Cc1ccc(Cc2c(C)nc3nc(CC(=O)NC(C)C)nn3c2C)cc1 Cc1ccc(cc1)C[*:1] Cc1nc2nc(CC(=O)NC(C)C)nn2c(C)c1[*:1]
Cc1ccc(Cc2c(C)nc3nc(CC(=O)NC(C)C)nn3c2C)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)Cc1c(C)nc2nc(C[*:1])nn2c1C
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)c1cccc(Cl)c1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)C2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)NCC1(CCOCC1)[*:1]
NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=c1c2cc(ccc2[nH]c(=S)n1CC[*:1])N1CCOCC1
NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)cc1 NS(=O)(=O)[*:1] O=c1c2cc(ccc2[nH]c(=S)n1CCc1ccc(cc1)[*:1])N1CCOCC1
NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)cc1 C1CN(CCO1)[*:1] NS(=O)(=O)c1ccc(cc1)CCn1c(=S)[nH]c2ccc(cc2c1=O)[*:1]
C[NH+](Cc1nc(-c2cccs2)no1)Cc1n[nH]c2c1CCCCC2 c1csc(c1)[*:1] C[NH+](Cc1nc(no1)[*:1])Cc1n[nH]c2CCCCCc12
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4O)nc3c2[C@@H]1c1ccco1 c1coc(c1)[*:1] CC(=O)C1=C(C)Oc2ncn3nc(nc3c2[C@H]1[*:1])-c1ccccc1O
CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4O)nc3c2[C@@H]1c1ccco1 CC(=O)[*:1] CC1Oc2ncn3nc(nc3c2[C@@H](C=1[*:1])c1ccco1)-c1ccccc1O
CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4O)nc3c2[C@@H]1c1ccco1 Oc1ccccc1[*:1] CC(=O)C1=C(C)Oc2ncn3nc(nc3c2[C@@H]1c1ccco1)[*:1]
Cc1cc(=O)c(C(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)c(C)[nH]1 c1ccc(cc1)CC[*:1] Cc1cc(=O)c(C(=O)N2CCC(CC2)[C@@H](O)[*:1])c(C)[nH]1
Cc1cc(=O)c(C(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)c(C)[nH]1 c1ccc(cc1)[*:1] Cc1cc(=O)c(C(=O)N2CCC(CC2)[C@@H](O)CC[*:1])c(C)[nH]1
Cc1cc(=O)c(C(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)c(C)[nH]1 c1ccc(cc1)C[*:1] Cc1cc(=O)c(C(=O)N2CCC(CC2)[C@@H](O)C[*:1])c(C)[nH]1
Cc1cc(=O)c(C(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)c(C)[nH]1 Cc1cc(=O)c(c(C)[nH]1)[*:1] O=C(N1CCC(CC1)[C@@H](O)CCc1ccccc1)[*:1]
Cc1noc([C@H]2CCCN2C(=O)COc2cccnc2)n1 c1cncc(c1)O[*:1] Cc1noc(n1)[C@H]1CCCN1C(=O)C[*:1]
Cc1noc([C@H]2CCCN2C(=O)COc2cccnc2)n1 Cc1noc(n1)[*:1] O=C(COc1cccnc1)N1CCC[C@@H]1[*:1]
Cc1noc([C@H]2CCCN2C(=O)COc2cccnc2)n1 c1cncc(c1)[*:1] Cc1noc(n1)[C@H]1CCCN1C(=O)CO[*:1]
CCCCOc1cc2oc(=O)cc(C)c2cc1Cl CCC[*:1] Cc1cc(=O)oc2cc(OC[*:1])c(Cl)cc12
CCCCOc1cc2oc(=O)cc(C)c2cc1Cl CCCC[*:1] Cc1cc(=O)oc2cc(O[*:1])c(Cl)cc12
CCCCOc1cc2oc(=O)cc(C)c2cc1Cl CCCCO[*:1] Cc1cc(=O)oc2cc(c(Cl)cc12)[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 O=C([O-])[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)CC[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 O=C([O-])CC[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 O=C([O-])C[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C[*:1]
COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2S(C)(=O)=O)c1 COc1cccc(c1)[*:1] CN(C)c1ncc(c(n1)[C@H]1CCCN1S(C)(=O)=O)[*:1]
COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2S(C)(=O)=O)c1 CN(C)[*:1] COc1cccc(c1)-c1cnc(nc1[C@H]1CCCN1S(C)(=O)=O)[*:1]
CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N N#CCCS[*:1] CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1[*:1]
CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N N#CCC[*:1] CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1S[*:1]
CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N N#CC[*:1] CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1SC[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)O[*:1]
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccsc1 c1cc(cs1)C[*:1] C[C@@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N(C)[*:1]
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccsc1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])C(=O)N(C)Cc1ccsc1
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccsc1 c1cc(cs1)[*:1] C[C@@H](NC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N(C)C[*:1]
Cn1c(CNC(=O)c2ccccc2)cc(=O)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(cc(=O)n(C)c1=O)CNC(=O)[*:1]
C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)Cn1cccn1 c1cnn(c1)[*:1] C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)C[*:1]
CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@H](n2nc(C)c(C)c2C)C1 CCC[*:1] Cc1nn(c(C)c1C)[C@H]1CCC[C@@](C1)([NH2+][*:1])C(=O)[O-]
CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@H](n2nc(C)c(C)c2C)C1 O=C([O-])[*:1] CCC[NH2+][C@]1(CCC[C@@H](C1)n1nc(C)c(C)c1C)[*:1]
O=C(Nc1nnc(C2CC2)s1)N[C@@H]1C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1nnc(s1)C1CC1)N[C@@H]1C[C@@H]1[*:1]
O=C(Nc1nnc(C2CC2)s1)N[C@@H]1C[C@H]1c1cccc(F)c1 C1CC1[*:1] O=C(Nc1nnc(s1)[*:1])N[C@@H]1C[C@H]1c1cccc(F)c1
CCC(=O)Nc1cccc(NCC2CC[NH2+]CC2)c1 CCC(=O)N[*:1] c1cc(cc(c1)[*:1])NCC1CC[NH2+]CC1
CCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCc1cccc(c1)[*:1]
C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc(Cl)cc1 c1coc(c1)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1C[*:1])C(=O)Nc1ccc(Cl)cc1
C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)N[*:1]
C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc(Cl)cc1 c1coc(c1)C[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)Nc1ccc(Cl)cc1
C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)[*:1]
O=C(Nc1ccc(C(=O)NC(C2CC2)C2CC2)cc1)c1ccccc1 C1CC1C(C1CC1)[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1ccccc1
O=C(Nc1ccc(C(=O)NC(C2CC2)C2CC2)cc1)c1ccccc1 C1CC1[*:1] O=C(Nc1ccc(cc1)C(=O)NC(C1CC1)[*:1])c1ccccc1
O=C(Nc1ccc(C(=O)NC(C2CC2)C2CC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC(C1CC1)C1CC1)c1ccc(cc1)NC(=O)[*:1]
C[C@@H](CCCO)NC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C OCCC[*:1] C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C)[*:1]
C[C@@H](CCCO)NC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C OCC[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C
C[C@@H](CCCO)NC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C C[C@@H](CCCO)[*:1] C[C@@H]1CC[C@@H](NC(=O)N[*:1])[C@H](C)C1
COCCN/C(=[NH+]/N)c1cc(C(F)(F)F)ccc1F COCC[*:1] N/[NH+]=C(/N[*:1])c1cc(ccc1F)C(F)(F)F
COCCN/C(=[NH+]/N)c1cc(C(F)(F)F)ccc1F COC[*:1] N/[NH+]=C(/NC[*:1])c1cc(ccc1F)C(F)(F)F
COCCN/C(=[NH+]/N)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] COCCN/C(=[NH+]/N)c1cc(ccc1F)[*:1]
C[C@@H]1CN(c2cc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)ncn2)C[C@@H](C)O1 Clc1ccc(cc1Cl)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1cc(ncn1)SCC(=O)N[*:1]
CCN(CC)c1ccc(-c2noc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)n2)c[nH+]1 Clc1ccc(cc1)[*:1] CCN(CC)c1ccc(c[nH+]1)-c1noc(C[NH+]2CCN(CC2)[*:1])n1
CCN(CC)c1ccc(-c2noc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)n2)c[nH+]1 CCN(CC)[*:1] Clc1ccc(cc1)N1CC[NH+](CC1)Cc1nc(no1)-c1ccc([nH+]c1)[*:1]
C[C@@]1(CO)CCC[C@@H]1NC(=O)NCCCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(CO)CCC[C@@H]1NC(=O)NCCCS(=O)(=O)[*:1]
CN(Cc1ncnn1C)S(=O)(=O)CCC(C)(C)C CC(C)(C)C[*:1] CN(Cc1ncnn1C)S(=O)(=O)C[*:1]
CN(Cc1ncnn1C)S(=O)(=O)CCC(C)(C)C CC(C)(C)[*:1] CN(Cc1ncnn1C)S(=O)(=O)CC[*:1]
CN(Cc1ncnn1C)S(=O)(=O)CCC(C)(C)C Cn1ncnc1[*:1] CN(C[*:1])S(=O)(=O)CCC(C)(C)C
CN(Cc1ncnn1C)S(=O)(=O)CCC(C)(C)C CC(C)(C)CC[*:1] CN(Cc1ncnn1C)S(=O)(=O)[*:1]
O=C(COc1ccc(Cl)cc1I)N/N=C/c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(COc1ccc(Cl)cc1I)N/N=C/c1cccc(c1)[*:1]
O=C(COc1ccc(Cl)cc1I)N/N=C/c1cccc([N+](=O)[O-])c1 Clc1ccc(c(I)c1)[*:1] O=C(CO[*:1])N/N=C/c1cccc(c1)[N+](=O)[O-]
Cc1ncsc1CN(C)C(=O)CC[C@@H](C)O C[C@@H](O)C[*:1] Cc1ncsc1CN(C)C(=O)C[*:1]
Cc1ncsc1CN(C)C(=O)CC[C@@H](C)O C[C@@H](O)[*:1] Cc1ncsc1CN(C)C(=O)CC[*:1]
Cc1ncsc1CN(C)C(=O)CC[C@@H](C)O C[C@@H](O)CC[*:1] Cc1ncsc1CN(C)C(=O)[*:1]
Cc1ccc(/N=C/C(Cl)(Cl)Cl)cc1 ClC(Cl)(Cl)[*:1] Cc1ccc(cc1)N=C[*:1]
CC(=O)Nc1ccc(NC(=O)CCc2ccsc2)cc1 CC(=O)N[*:1] O=C(CCc1ccsc1)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CCc2ccsc2)cc1 c1cc(cs1)C[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C[*:1]
CC(=O)Nc1ccc(NC(=O)CCc2ccsc2)cc1 c1cc(cs1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CC[*:1]
COC[C@@H](C)n1c(CCCC(=O)N2CCCn3nc(C)cc3C2)nc2cccnc21 COC[*:1] Cc1cc2CN(CCCn2n1)C(=O)CCCc1nc2cccnc2n1[C@H](C)[*:1]
CC[C@H](C)C(=O)CSc1nnc(-c2ccoc2C)o1 CC[C@H](C)[*:1] Cc1occc1-c1nnc(o1)SCC(=O)[*:1]
CC[C@H](C)C(=O)CSc1nnc(-c2ccoc2C)o1 CC[C@H](C)C(=O)[*:1] Cc1occc1-c1nnc(o1)SC[*:1]
CC[C@H](C)C(=O)CSc1nnc(-c2ccoc2C)o1 Cc1occc1[*:1] CC[C@H](C)C(=O)CSc1nnc(o1)[*:1]
CN(Cc1ccccc1F)C(=O)Cn1c(-c2cccnc2)noc1=O c1cncc(c1)[*:1] CN(Cc1ccccc1F)C(=O)Cn1c(noc1=O)[*:1]
CN(Cc1ccccc1F)C(=O)Cn1c(-c2cccnc2)noc1=O Fc1ccccc1C[*:1] CN(C(=O)Cn1c(noc1=O)-c1cccnc1)[*:1]
CN(Cc1ccccc1F)C(=O)Cn1c(-c2cccnc2)noc1=O Fc1ccccc1[*:1] CN(C[*:1])C(=O)Cn1c(noc1=O)-c1cccnc1
Cc1ccc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 OCc1ccc(o1)[*:1] Cc1ccc(cc1)OCC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1cccc(c1)-c1ccc(CO)o1
Cc1ccc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1cccc(c1)-c1ccc(CO)o1
CCn1nc2c(c1C(=O)Nc1ccccc1OC[C@H]1CCCCO1)CCCC2 C1CC[C@H](CO[*:1])OC1 CCn1nc2CCCCc2c1C(=O)Nc1ccccc1[*:1]
O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)C(=O)N[*:1]
CCCNC(=O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1O CCCNC(=O)C[*:1] O=C(C[*:1])Nc1cc(ccc1O)[N+](=O)[O-]
CCCNC(=O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1O O=[N+]([O-])[*:1] CCCNC(=O)CCC(=O)Nc1cc(ccc1O)[*:1]
CCCNC(=O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1O CCCNC(=O)[*:1] O=C(CC[*:1])Nc1cc(ccc1O)[N+](=O)[O-]
CCCNC(=O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1O CCC[*:1] O=C(CCC(=O)N[*:1])Nc1cc(ccc1O)[N+](=O)[O-]
Cc1nn(Cc2ccc([N+](=O)[O-])c(F)c2)c(C)c1[C@H](C)[NH3+] O=[N+]([O-])[*:1] Cc1nn(Cc2ccc(c(F)c2)[*:1])c(C)c1[C@H](C)[NH3+]
CC(C)[C@H](C(=O)[O-])n1cc(Cl)c(=O)[nH]c1=O CC(C)[*:1] O=C([O-])[C@H](n1cc(Cl)c(=O)[nH]c1=O)[*:1]
CC(C)[C@H](C(=O)[O-])n1cc(Cl)c(=O)[nH]c1=O O=C([O-])[*:1] CC(C)[C@H](n1cc(Cl)c(=O)[nH]c1=O)[*:1]
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)cc2)C[C@@H](C)O1 Brc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)[*:1]
Cc1cccc([C@]2(C[NH2+]CC(C)C)CC[C@@H]2C)c1 CC(C)[*:1] Cc1cccc(c1)[C@@]1(CC[C@@H]1C)C[NH2+]C[*:1]
Cc1cccc([C@]2(C[NH2+]CC(C)C)CC[C@@H]2C)c1 CC(C)C[*:1] Cc1cccc(c1)[C@@]1(CC[C@@H]1C)C[NH2+][*:1]
Cc1nc(C2CC[NH+](Cc3ccccn3)CC2)nc2c1CCC(=O)N2Cc1ccccc1F c1ccc(C[*:1])nc1 Cc1nc(nc2c1CCC(=O)N2Cc1ccccc1F)C1CC[NH+](CC1)[*:1]
Cc1nc(C2CC[NH+](Cc3ccccn3)CC2)nc2c1CCC(=O)N2Cc1ccccc1F c1ccc(nc1)[*:1] Cc1nc(nc2c1CCC(=O)N2Cc1ccccc1F)C1CC[NH+](CC1)C[*:1]
Cc1nc(C2CC[NH+](Cc3ccccn3)CC2)nc2c1CCC(=O)N2Cc1ccccc1F Fc1ccccc1C[*:1] Cc1nc(nc2c1CCC(=O)N2[*:1])C1CC[NH+](CC1)Cc1ccccn1
Cc1nc(C2CC[NH+](Cc3ccccn3)CC2)nc2c1CCC(=O)N2Cc1ccccc1F Fc1ccccc1[*:1] Cc1nc(nc2c1CCC(=O)N2C[*:1])C1CC[NH+](CC1)Cc1ccccn1
C[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc2ccccc2c1 FC(F)(F)[*:1] C[C@H](NC(=O)Cn1ccc(n1)[*:1])c1ccc2ccccc2c1
CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCCCC1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]([NH+]1CCCCC1)[*:1]
CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCCCC1 CCOC(=O)[*:1] c1ccc(cc1)[C@@H]([NH+]1CCCCC1)[*:1]
CN1C(=O)[C@H]2C=C(Cl)[C@@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 c1ccc(cc1)[*:1] CN1C(=O)[C@H]2C=C(Cl)[C@@H]1[C@H]1C(=O)N(C(=O)[C@@H]12)[*:1]
CNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CCOc2ccccc21 CNC(=O)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])[C@@H]1CCOc2ccccc21
CCSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 CCS[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc2OCOc2c1
O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 c1csc(c1)[*:1] O=C(CCc1nc(no1)[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1
O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 c1csc(c1)-c1noc(n1)[*:1] O=C(CC[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1
CC1=CC(=O)[C@H](n2nnc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CC1=CC(=O)[C@@H]([C@H](C1)[*:1])n1nnc(n1)[N+](=O)[O-]
CC1=CC(=O)[C@H](n2nnc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 O=[N+]([O-])[*:1] CC1=CC(=O)[C@@H]([C@@H](C1)c1ccccc1)n1nnc(n1)[*:1]
C[C@H](C(=O)/C=C1/N(C)c2ccccc2C1(C)C)[n+]1ccc(Cc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](C(=O)/C=C1/N(C)c2ccccc2C1(C)C)[n+]1ccc(cc1)C[*:1]
C[C@H](C(=O)/C=C1/N(C)c2ccccc2C1(C)C)[n+]1ccc(Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] C[C@H](C(=O)/C=C1/N(C)c2ccccc2C1(C)C)[n+]1ccc(cc1)[*:1]
N=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1nonc1N Nc1nonc1[*:1] N=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1[*:1]
O=C(c1ccccn1)N1CCC(C(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)CC1 c1ccc(nc1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1
C#CCNCc1nc([C@@H]2CCCO2)no1 C1CO[C@@H](C1)[*:1] C#CCNCc1nc(no1)[*:1]
C#CCNCc1nc([C@@H]2CCCO2)no1 C#CCN[*:1] C1CO[C@@H](C1)c1noc(C[*:1])n1
C#CCNCc1nc([C@@H]2CCCO2)no1 C#CCNC[*:1] C1CO[C@@H](C1)c1noc(n1)[*:1]
C#CCNCc1nc([C@@H]2CCCO2)no1 C#CC[*:1] C1CO[C@@H](C1)c1noc(CN[*:1])n1
COc1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 COc1ccc(cc1)[*:1] Nc1ccc(cc1[N+](=O)[O-])C(=O)NC[C@@H]([NH+]1CCCCC1)[*:1]
COc1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+]2CCCCC2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1ccc(N)c(c1)[*:1])[NH+]1CCCCC1
CC[NH+]1CCN([C@H](C)CNC(=O)COc2ccccc2C#N)CC1 N#Cc1ccccc1[*:1] CC[NH+]1CCN(CC1)[C@H](C)CNC(=O)CO[*:1]
CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(C)=O)CC1 Clc1ccccc1[*:1] CC[C@H](C)NC(=O)[C@H](NC(=O)[*:1])C1CCN(CC1)C(C)=O
CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(C)=O)CC1 CC[C@H](C)[*:1] CC(=O)N1CCC(CC1)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(C)=O)CC1 CC(=O)N1CCC(CC1)[*:1] CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)[*:1]
CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(C)=O)CC1 CC[C@H](C)NC(=O)[*:1] CC(=O)N1CCC(CC1)[C@@H](NC(=O)c1ccccc1Cl)[*:1]
CCc1ccc([C@H](C)[NH2+]C[C@@H](C)SC)o1 CS[C@H](C)[*:1] CCc1ccc(o1)[C@H](C)[NH2+]C[*:1]
NC(=O)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)o1 NC(=O)c1ccc(o1)[*:1] O=C(NC[*:1])[C@@H]1CCCCN1C(=O)c1cccs1
NC(=O)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)o1 c1csc(c1)[*:1] NC(=O)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)[*:1])o1
NC(=O)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)o1 NC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])[C@@H]1CCCCN1C(=O)c1cccs1
CC(C)Nc1nc(NCCN2CCOCC2)nc2c1cnn2C CC(C)N[*:1] Cn1ncc2c(nc(nc21)NCCN1CCOCC1)[*:1]
CC(C)Nc1nc(NCCN2CCOCC2)nc2c1cnn2C C1CN(CCO1)C[*:1] CC(C)Nc1nc(nc2c1cnn2C)NC[*:1]
CC(C)Nc1nc(NCCN2CCOCC2)nc2c1cnn2C C1CN(CCO1)[*:1] CC(C)Nc1nc(nc2c1cnn2C)NCC[*:1]
CC(C)Nc1nc(NCCN2CCOCC2)nc2c1cnn2C CC(C)[*:1] Cn1ncc2c(nc(nc21)NCCN1CCOCC1)N[*:1]
O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1cccs1 c1ccc(cc1)[*:1] O=C(Cc1nnc(NC(=O)N[*:1])s1)N/N=C/c1cccs1
O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1cccs1 c1csc(c1)[*:1] O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)NN=C[*:1]
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H]1CC(=O)Nc2cc(ccc2S1)S(=O)(=O)N[*:1]
Fc1ccccc1[C@@H]1CN(Cc2cnn3c2NCCC3)CCO1 Fc1ccccc1[*:1] c1nn2CCCNc2c1CN1CCO[C@@H](C1)[*:1]
Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1ccc3c(c1)COC3)CC2 c1cc2COCc2cc1[*:1] Cc1nc2CC[C@H](Cc2c(n1)C(F)(F)F)C(=O)N[*:1]
Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1ccc3c(c1)COC3)CC2 FC(F)(F)[*:1] Cc1nc2CC[C@H](Cc2c(n1)[*:1])C(=O)Nc1ccc2COCc2c1
COC[C@@H](O)CN(C)c1ccc(C(N)=O)nn1 COC[C@@H](O)[*:1] CN(C[*:1])c1ccc(nn1)C(N)=O
COC[C@@H](O)CN(C)c1ccc(C(N)=O)nn1 NC(=O)[*:1] COC[C@@H](O)CN(C)c1ccc(nn1)[*:1]
COC[C@@H](O)CN(C)c1ccc(C(N)=O)nn1 COC[*:1] CN(C[C@H](O)[*:1])c1ccc(nn1)C(N)=O
CC[C@H]1CN(C(=O)c2nccn3ccnc23)C[C@@H]1N1CCOCC1 C1CN(CCO1)[*:1] CC[C@H]1CN(C[C@H]1[*:1])C(=O)c1nccn2ccnc12
CC(C)S(=O)(=O)Cc1cccc(NC(=O)Cc2cccc(F)c2F)c1 Fc1cccc(c1F)[*:1] CC(C)S(=O)(=O)Cc1cccc(c1)NC(=O)C[*:1]
CC(C)S(=O)(=O)Cc1cccc(NC(=O)Cc2cccc(F)c2F)c1 CC(C)S(=O)(=O)[*:1] O=C(Cc1cccc(F)c1F)Nc1cccc(c1)C[*:1]
CC(C)S(=O)(=O)Cc1cccc(NC(=O)Cc2cccc(F)c2F)c1 CC(C)[*:1] O=C(Cc1cccc(F)c1F)Nc1cccc(c1)CS(=O)(=O)[*:1]
CC(C)S(=O)(=O)Cc1cccc(NC(=O)Cc2cccc(F)c2F)c1 CC(C)S(=O)(=O)C[*:1] O=C(Cc1cccc(F)c1F)Nc1cccc(c1)[*:1]
OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(F)c(F)c2F)SC1 c1ccc(cc1)C[*:1] OC1CS[C@H](c2ccc(F)c(F)c2F)c2cnn(c2N=1)[*:1]
OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(F)c(F)c2F)SC1 c1ccc(cc1)[*:1] OC1CS[C@H](c2ccc(F)c(F)c2F)c2cnn(C[*:1])c2N=1
OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(F)c(F)c2F)SC1 Fc1ccc(c(F)c1F)[*:1] OC1CS[C@H](c2cnn(Cc3ccccc3)c2N=1)[*:1]
Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)c1cc([nH]n1)[*:1]
CCOc1c(F)cccc1C(=O)Oc1cc(OC)ccc1C(C)=O CCO[*:1] COc1ccc(C(C)=O)c(c1)OC(=O)c1cccc(F)c1[*:1]
CCOc1c(F)cccc1C(=O)Oc1cc(OC)ccc1C(C)=O CC(=O)[*:1] CCOc1c(F)cccc1C(=O)Oc1cc(ccc1[*:1])OC
CC1(C)CCN(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)C1 c1cnc(nc1)[*:1] CC1(C)CCN(C1)C(=O)NC[C@@H]1CCCN(C1)[*:1]
CCO[C@H](C)[C@@H]([NH3+])Cc1cc(F)cc(Br)c1 CCO[*:1] C[C@H]([C@@H]([NH3+])Cc1cc(F)cc(Br)c1)[*:1]
CCO[C@H](C)[C@@H]([NH3+])Cc1cc(F)cc(Br)c1 CCO[C@H](C)[*:1] [NH3+][C@@H](Cc1cc(F)cc(Br)c1)[*:1]
CC1=NC(C)=C(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(C)c2)[C@@H]1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC1=NC(C)=C([C@H]1[*:1])S(=O)(=O)NCCC(=O)Nc1ccc(C)c(C)c1
CC1=NC(C)=C(S(=O)(=O)NCCC(=O)Nc2ccc(C)c(C)c2)[C@@H]1C(=O)N1CCCC1 Cc1ccc(cc1C)[*:1] CC1=NC(C)=C([C@@H]1C(=O)N1CCCC1)S(=O)(=O)NCCC(=O)N[*:1]
CCOC(=O)N1CCC([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)[NH2+]Cc1c(C)nn(c1C)[*:1]
CCC(C)(C)Nc1nc(C2CC2)ns1 C1CC1[*:1] CCC(C)(C)Nc1nc(ns1)[*:1]
Nc1[nH+]cccc1CC(=O)CCC(F)(F)F FC(F)(F)[*:1] Nc1[nH+]cccc1CC(=O)CC[*:1]
Nc1[nH+]cccc1CC(=O)CCC(F)(F)F FC(F)(F)C[*:1] Nc1[nH+]cccc1CC(=O)C[*:1]
COCC(=O)N1CCC(Oc2ccc(C#N)cn2)CC1 COC[*:1] N#Cc1ccc(nc1)OC1CCN(CC1)C(=O)[*:1]
C/C(=C\C(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)Cc1ccc(Cl)cc1 O=[N+]([O-])c1cccc(c1)[*:1] C/C(=C\C(=O)N[*:1])NNC(=O)Cc1ccc(Cl)cc1
C/C(=C\C(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)Cc1ccc(Cl)cc1 O=[N+]([O-])[*:1] C/C(=C\C(=O)Nc1cccc(c1)[*:1])NNC(=O)Cc1ccc(Cl)cc1
C/C(=C\C(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C/C(=C\C(=O)Nc1cccc(c1)[N+](=O)[O-])NNC(=O)[*:1]
C/C(=C\C(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C/C(=C\C(=O)Nc1cccc(c1)[N+](=O)[O-])NNC(=O)C[*:1]
COc1ccc2cc(C(N)=O)/c(=[NH+]/c3ccc(C(F)(F)F)cc3)oc2c1 FC(F)(F)[*:1] COc1ccc2cc(C(N)=O)/c(=[NH+]/c3ccc(cc3)[*:1])oc2c1
COc1ccc2cc(C(N)=O)/c(=[NH+]/c3ccc(C(F)(F)F)cc3)oc2c1 NC(=O)[*:1] COc1ccc2cc(/c(=[NH+]/c3ccc(cc3)C(F)(F)F)oc2c1)[*:1]
CC(C)(C)C(=O)CCCCSc1ccccc1 CC(C)(C)[*:1] O=C(CCCCSc1ccccc1)[*:1]
O=C(Cn1c(Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O)NC1CCC1 c1ccc(cc1)C[*:1] O=C(Cn1c(nn(-c2ccc(Cl)cc2)c1=O)[*:1])NC1CCC1
O=C(Cn1c(Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O)NC1CCC1 Clc1ccc(cc1)[*:1] O=C(Cn1c(Cc2ccccc2)nn(c1=O)[*:1])NC1CCC1
O=C(Cn1c(Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O)NC1CCC1 c1ccc(cc1)[*:1] O=C(Cn1c(C[*:1])nn(-c2ccc(Cl)cc2)c1=O)NC1CCC1
O=C(Cn1c(Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O)NC1CCC1 O=C(C[*:1])NC1CCC1 O=c1n(nc(Cc2ccccc2)n1[*:1])-c1ccc(Cl)cc1
O=C(Cn1c(Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O)NC1CCC1 C1CC(C1)[*:1] O=C(Cn1c(Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O)N[*:1]
O=C(Cn1c(Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O)NC1CCC1 O=C(NC1CCC1)[*:1] O=c1n(nc(Cc2ccccc2)n1C[*:1])-c1ccc(Cl)cc1
Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2N(C)C)cc1 Cc1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)c1ccccc1N(C)C)[*:1]
Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2N(C)C)cc1 CN(C)[*:1] Cc1ccc(cc1)[C@H](C)[NH2+][C@H](C)c1ccccc1[*:1]
CC[C@H](CO)NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 CC[C@H](CO)[*:1] O=C(/C=C/c1ccc(Cl)cc1)NC(=S)N[*:1]
[NH3+]C[C@H](c1c[nH]c2ccccc12)C(F)(F)F FC(F)(F)[*:1] [NH3+]C[C@H](c1c[nH]c2ccccc12)[*:1]
C[C@H](CC(=O)NNC(=O)c1cc2c(s1)CCCCCC2)NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 C[C@H](CC(=O)NNC(=O)c1cc2CCCCCCc2s1)[*:1]
C[C@H](CC(=O)NNC(=O)c1cc2c(s1)CCCCCC2)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)NNC(=O)c1cc2CCCCCCc2s1)NC(=O)[*:1]
CC[C@@H](CO)NC(=O)c1c(F)ccc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] CC[C@@H](CO)NC(=O)c1c(F)ccc(c1F)[*:1]
CC[C@@H](CO)NC(=O)c1c(F)ccc([N+](=O)[O-])c1F CC[C@@H](CO)[*:1] O=C(N[*:1])c1c(F)ccc(c1F)[N+](=O)[O-]
C[C@H]1CCC[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2F)[C@@H]1C NS(=O)(=O)[*:1] C[C@H]1CCC[C@@H](NC(=O)c2cc(ccc2F)[*:1])[C@@H]1C
Cc1nnc2ccc(OCCNS(=O)(=O)c3ccc(-c4ccccc4)cc3)nn12 c1ccc(cc1)[*:1] Cc1nnc2ccc(nn12)OCCNS(=O)(=O)c1ccc(cc1)[*:1]
CCc1cccc(C)c1NC(=S)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=S)N1CC[C@H](C1)[*:1]
C[C@@H](CNC(=O)CCSc1ccc2c(c1)OCCO2)c1cccs1 c1csc(c1)[*:1] C[C@@H](CNC(=O)CCSc1ccc2OCCOc2c1)[*:1]
Cc1nn(C)c(C)c1CCC(=O)NCCS(=O)(=O)c1ccc(F)cc1 Cc1nn(C)c(C)c1[*:1] O=C(CC[*:1])NCCS(=O)(=O)c1ccc(F)cc1
Cc1nn(C)c(C)c1CCC(=O)NCCS(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CCC(=O)NCCS(=O)(=O)[*:1]
C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cccc(NC(=O)N(C)C)c1 CN(C)C(=O)N[*:1] C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cccc(c1)[*:1]
C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cccc(NC(=O)N(C)C)c1 C1CO[C@@H](C1)C[*:1] C[C@H]([NH2+]Cc1cccc(c1)NC(=O)N(C)C)[*:1]
C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cccc(NC(=O)N(C)C)c1 C1CO[C@@H](C1)[*:1] C[C@H](C[*:1])[NH2+]Cc1cccc(c1)NC(=O)N(C)C
CSc1ccccc1C(=O)c1ccccc1CN1CCC2(CC1)OCCO2 CSc1ccccc1[*:1] O=C(c1ccccc1CN1CCC2(CC1)OCCO2)[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)c(O)c(Cl)c2)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1cc(Cl)c(O)c(Cl)c1
Cc1ccc2c(c1)N(C(=O)c1cc(C(C)C)[nH]n1)C[C@H](C)O2 CC(C)[*:1] Cc1ccc2O[C@@H](C)CN(C(=O)c3cc([nH]n3)[*:1])c2c1
CCc1noc(-c2ccc(CCNC(=O)NC[C@H]3CC=CCC3)cc2)n1 CCc1noc(n1)[*:1] O=C(NCCc1ccc(cc1)[*:1])NC[C@H]1CC=CCC1
C[S@](=O)c1ccc(CNC(=O)NC[C@@H](O)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)NC[C@@H](O)C[*:1]
C[S@](=O)c1ccc(CNC(=O)NC[C@@H](O)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)NC[C@@H](O)[*:1]
C[S@](=O)c1ccc(CNC(=O)NC[C@@H](O)Cc2ccccc2)cc1 C[S@](=O)[*:1] O=C(NCc1ccc(cc1)[*:1])NC[C@@H](O)Cc1ccccc1
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(C)CCC#N)o1 N#CCC[*:1] COc1ccccc1-c1nnc(o1)S[C@@H](C)C(=O)N(C)[*:1]
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(C)CCC#N)o1 N#CC[*:1] COc1ccccc1-c1nnc(o1)S[C@@H](C)C(=O)N(C)C[*:1]
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(C)CCC#N)o1 CN(CCC#N)C(=O)[*:1] COc1ccccc1-c1nnc(o1)S[C@@H](C)[*:1]
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(C)CCC#N)o1 COc1ccccc1[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)N(C)CCC#N
NC(=O)c1cc(NC(=O)c2nnn[n-]2)ccc1Cl NC(=O)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1nnn[n-]1
COc1cc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1O Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1O)CN1CCN(CC1)S(=O)(=O)[*:1]
O=C([O-])[C@H](F)[C@H](O)C1CCOCC1 O=C([O-])[*:1] O[C@H](C1CCOCC1)[C@@H](F)[*:1]
C=CCOc1ccc(Cl)cc1C[NH2+]C(C)(C)C C=CC[*:1] CC(C)(C)[NH2+]Cc1cc(Cl)ccc1O[*:1]
C=CCOc1ccc(Cl)cc1C[NH2+]C(C)(C)C CC(C)(C)[*:1] C=CCOc1ccc(Cl)cc1C[NH2+][*:1]
C=CCOc1ccc(Cl)cc1C[NH2+]C(C)(C)C C=CCO[*:1] CC(C)(C)[NH2+]Cc1cc(Cl)ccc1[*:1]
CCOc1ccc([C@H](Br)Cc2ncccc2C)cc1 CCO[*:1] Cc1cccnc1C[C@@H](Br)c1ccc(cc1)[*:1]
COc1cc(-c2cccc(OC)c2OC)cc2c1OCCN(Cc1cccc(C)n1)C2 Cc1cccc(C[*:1])n1 COc1cc(cc2CN(CCOc21)[*:1])-c1cccc(OC)c1OC
COc1cc(-c2cccc(OC)c2OC)cc2c1OCCN(Cc1cccc(C)n1)C2 Cc1cccc(n1)[*:1] COc1cc(cc2CN(CCOc21)C[*:1])-c1cccc(OC)c1OC
COc1cc(-c2cccc(OC)c2OC)cc2c1OCCN(Cc1cccc(C)n1)C2 COc1cccc(c1OC)[*:1] COc1cc(cc2CN(CCOc21)Cc1cccc(C)n1)[*:1]
COC(=O)N[C@@H](C(=O)NCc1ccc([S@](C)=O)cc1)C(C)C COC(=O)N[*:1] CC(C)[C@H](C(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
COC(=O)N[C@@H](C(=O)NCc1ccc([S@](C)=O)cc1)C(C)C C[S@](=O)[*:1] COC(=O)N[C@@H](C(=O)NCc1ccc(cc1)[*:1])C(C)C
COC(=O)N[C@@H](C(=O)NCc1ccc([S@](C)=O)cc1)C(C)C CC(C)[*:1] COC(=O)N[C@@H](C(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
Cc1cc(C(=O)O[C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)nn1C CC(C)(C)[*:1] Cc1cc(nn1C)C(=O)O[C@H](C)[C@@H]1CCCCN1C(=O)O[*:1]
Cc1cc(C(=O)O[C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)nn1C Cc1cc(nn1C)[*:1] C[C@@H](OC(=O)[*:1])[C@@H]1CCCCN1C(=O)OC(C)(C)C
O=C(CSc1nc2ccccc2[nH]1)Nc1ccc([N+](=O)[O-])cc1O O=[N+]([O-])[*:1] O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(cc1O)[*:1]
COc1ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C[NH+]1CCN(CC1)C(=O)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CC2=O)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(nc1)[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])Nc1ccc2OCCOc2c1
COC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 COC(=O)C[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1
COC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 COC(=O)CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1C[C@@H]1c1ccc(F)cc1
COC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 COC(=O)[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1
COC(=O)CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COC(=O)CNC(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@H]1[*:1]
Cc1csc2ncn([C@@H](Cc3ccccc3)C(N)=O)c(=O)c12 NC(=O)[*:1] Cc1csc2ncn(c(=O)c12)[C@@H](Cc1ccccc1)[*:1]
Cc1csc2ncn([C@@H](Cc3ccccc3)C(N)=O)c(=O)c12 c1ccc(cc1)[*:1] Cc1csc2ncn(c(=O)c12)[C@@H](C[*:1])C(N)=O
Cc1csc2ncn([C@@H](Cc3ccccc3)C(N)=O)c(=O)c12 c1ccc(cc1)C[*:1] Cc1csc2ncn(c(=O)c12)[C@@H](C(N)=O)[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)NC[C@H](O)c2cc(OC)cc(OC)c2)C1 CC[C@@H]1CCC[C@@H](C1)[*:1] COc1cc(cc(c1)[C@@H](O)CNC(=O)N[*:1])OC
C[C@H](SCc1ccc(C(=O)N2CCCC2)cc1)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@H](SCc1ccc(cc1)C(=O)N1CCCC1)[*:1]
C[C@H](SCc1ccc(C(=O)N2CCCC2)cc1)C(=O)NC1CC1 O=C(N1CCCC1)[*:1] C[C@H](SCc1ccc(cc1)[*:1])C(=O)NC1CC1
C[C@H](SCc1ccc(C(=O)N2CCCC2)cc1)C(=O)NC1CC1 C1CC1[*:1] C[C@H](SCc1ccc(cc1)C(=O)N1CCCC1)C(=O)N[*:1]
Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(C)c5)CC4)ncnc32)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(C)c5)CC4)ncnc32)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)[*:1]
Cc1csc(=O)n1CCC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 Cc1csc(=O)n1C[*:1] O=C(C[*:1])N1CCC[NH+](CC1)Cc1ccc(Cl)cc1
Cc1csc(=O)n1CCC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1csc(=O)n1CCC(=O)N1CCC[NH+](CC1)C[*:1]
Cc1csc(=O)n1CCC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] Cc1csc(=O)n1CCC(=O)N1CCC[NH+](CC1)[*:1]
Cc1csc(=O)n1CCC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 Cc1csc(=O)n1[*:1] O=C(CC[*:1])N1CCC[NH+](CC1)Cc1ccc(Cl)cc1
CCc1cnc(CCNC(=O)c2ccccc2-c2ccccc2C#N)s1 CCc1cnc(C[*:1])s1 N#Cc1ccccc1-c1ccccc1C(=O)NC[*:1]
CCc1cnc(CCNC(=O)c2ccccc2-c2ccccc2C#N)s1 CCc1cnc(s1)[*:1] N#Cc1ccccc1-c1ccccc1C(=O)NCC[*:1]
CCc1cnc(CCNC(=O)c2ccccc2-c2ccccc2C#N)s1 N#Cc1ccccc1[*:1] CCc1cnc(CCNC(=O)c2ccccc2[*:1])s1
O=C(NC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1)c1ccccc1 O=[N+]([O-])[*:1] O=C(NC1CCN(CC1)C(=O)c1cc2cc(ccc2s1)[*:1])c1ccccc1
O=C(NC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(c1cc2cc(ccc2s1)[N+](=O)[O-])N1CCC(CC1)[*:1]
O=C(NC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1cc2cc(ccc2s1)[N+](=O)[O-])N1CCC(CC1)NC(=O)[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 O=C([O-])[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCCc2cc(ccc21)[*:1]
O=C(COc1ccccc1F)Nc1cccc(C(F)(F)F)c1 Fc1ccccc1[*:1] O=C(CO[*:1])Nc1cccc(c1)C(F)(F)F
O=C(COc1ccccc1F)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(COc1ccccc1F)Nc1cccc(c1)[*:1]
Cc1ccc(C(=O)N2CCC(Oc3nc4c(C)ccc(C)c4s3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c2sc(nc12)OC1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccccc1)NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12 c1ccc(cc1)C[*:1] O=C(NCCc1nnc2c(cc(Cl)cn12)C(F)(F)F)[*:1]
O=C(Cc1ccccc1)NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12 FC(F)(F)[*:1] O=C(Cc1ccccc1)NCCc1nnc2c(cc(Cl)cn12)[*:1]
O=C(Cc1ccccc1)NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12 c1ccc(cc1)[*:1] O=C(C[*:1])NCCc1nnc2c(cc(Cl)cn12)C(F)(F)F
CCN(CC)S(=O)(=O)c1ccc(=O)n(CCc2ccccc2)c1 c1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)c1ccc(=O)n(c1)CC[*:1]
CCN(CC)S(=O)(=O)c1ccc(=O)n(CCc2ccccc2)c1 c1ccc(cc1)C[*:1] CCN(CC)S(=O)(=O)c1ccc(=O)n(c1)C[*:1]
[NH3+]Cc1nnc(SC[C@@H]2Cc3ccccc3S2)n1C1CC1 C1CC1[*:1] [NH3+]Cc1nnc(SC[C@@H]2Cc3ccccc3S2)n1[*:1]
CC(C)N(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)c1ccc2ccccc2c1 CS(=O)(=O)O[*:1] CC(C)N(Cc1ccc(cc1)[*:1])C(=O)c1ccc2ccccc2c1
CC(C)N(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)c1ccc2ccccc2c1 CC(C)[*:1] CS(=O)(=O)Oc1ccc(cc1)CN(C(=O)c1ccc2ccccc2c1)[*:1]
COc1ccc(-c2csc(/C(C#N)=C\c3ccccc3Br)n2)cc1OC Brc1ccccc1[*:1] COc1ccc(cc1OC)-c1csc(n1)C(C#N)=C[*:1]
C=CCOC(=O)C1=C(C)NC2=NC(=O)NC(=O)[C@H]2[C@@H]1c1ccc(CC)cc1 C=CC[*:1] CCc1ccc(cc1)[C@@H]1C(C(=O)O[*:1])=C(C)NC2=NC(=O)NC(=O)[C@H]21
C=CCOC(=O)C1=C(C)NC2=NC(=O)NC(=O)[C@H]2[C@@H]1c1ccc(CC)cc1 C=CCOC(=O)[*:1] CCc1ccc(cc1)[C@@H]1C(=C(C)NC2=NC(=O)NC(=O)[C@H]21)[*:1]
C=CCOC(=O)C1=C(C)NC2=NC(=O)NC(=O)[C@H]2[C@@H]1c1ccc(CC)cc1 CCc1ccc(cc1)[*:1] C=CCOC(=O)C1=C(C)NC2=NC(=O)NC(=O)[C@H]2[C@H]1[*:1]
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CC2(O)CCCC2)cc1 OC1(CCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)NCCN(C)C(=O)C[*:1]
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CC2(O)CCCC2)cc1 OC1(CCCC1)C[*:1] Cc1ccc(cc1)S(=O)(=O)NCCN(C)C(=O)[*:1]
Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CC2(O)CCCC2)cc1 Cc1ccc(cc1)[*:1] CN(CCNS(=O)(=O)[*:1])C(=O)CC1(O)CCCC1
Cc1nc(C)n(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n1 c1ccc(C[*:1])nc1 Cc1nc(C)n(CCNC(=O)[C@H]2CC(=O)N(C2)[*:1])n1
Cc1nc(C)n(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n1 Cc1nc(C)n(C[*:1])n1 O=C(NC[*:1])[C@H]1CC(=O)N(Cc2ccccn2)C1
Cc1nc(C)n(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n1 Cc1nc(C)n(n1)[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(Cc2ccccn2)C1
Cc1nc(C)n(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)n1 c1ccc(nc1)[*:1] Cc1nc(C)n(CCNC(=O)[C@H]2CC(=O)N(C2)C[*:1])n1
O=C(CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1c(F)cccc1F)N[*:1]
O=C(CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1c(F)cccc1F)NC[*:1]
O=C(CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)NCc1ccccc1 Fc1cccc(F)c1[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])NCc1ccccc1
Cc1cc(C)c(NC(=O)c2ccc(SC(F)F)cc2)c(Cl)n1 FC(F)[*:1] Cc1cc(C)c(NC(=O)c2ccc(cc2)S[*:1])c(Cl)n1
Cc1cc(C)c(NC(=O)c2ccc(SC(F)F)cc2)c(Cl)n1 FC(F)S[*:1] Cc1cc(C)c(NC(=O)c2ccc(cc2)[*:1])c(Cl)n1
COC(=O)c1ccc(CNC(=O)NC[C@H]2COc3ccccc3O2)cc1 COC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])NC[C@H]1COc2ccccc2O1
COCCN(Cc1cccs1)C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O COC[*:1] Cc1ccc(C)c(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)N(Cc1cccs1)C[*:1]
COCCN(Cc1cccs1)C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O COCC[*:1] Cc1ccc(C)c(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)N(Cc1cccs1)[*:1]
COCCN(Cc1cccs1)C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O c1csc(c1)[*:1] COCCN(C[*:1])C(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cc(C)ccc1C
COCCN(Cc1cccs1)C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O Cc1ccc(C)c(c1)[*:1] COCCN(Cc1cccs1)C(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COCCN(Cc1cccs1)C(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O c1csc(c1)C[*:1] COCCN(C(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cc(C)ccc1C)[*:1]
CCc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)CNc1ncc(n1C)[*:1]
CCC[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)CCO1 CCC[*:1] C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)[C@@H](C)NS(C)(=O)=O)CCO1 CS(=O)(=O)N[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@@H](C)[*:1]
CC(C)(C)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 CC(C)(C)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccc(F)c1
CC(C)(C)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)(C)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)(C)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 CC(C)(C)NC(=O)[*:1] O=C(c1cccc(F)c1)N1CCC(CC1)[*:1]
Cc1ccc[nH+]c1NCC1(CC(C)C)CCCC1 CC(C)[*:1] Cc1ccc[nH+]c1NCC1(CCCC1)C[*:1]
Cc1ccc[nH+]c1NCC1(CC(C)C)CCCC1 CC(C)C[*:1] Cc1ccc[nH+]c1NCC1(CCCC1)[*:1]
CN(CCc1cccs1)c1cccc(Cl)c1C=O c1csc(c1)[*:1] CN(CC[*:1])c1cccc(Cl)c1C=O
CN(CCc1cccs1)c1cccc(Cl)c1C=O c1csc(c1)C[*:1] CN(C[*:1])c1cccc(Cl)c1C=O
CN(C)C(=O)CNC(=O)CNC(=O)c1cc2sccc2n1C CN(C)C(=O)C[*:1] Cn1c(cc2sccc21)C(=O)NCC(=O)N[*:1]
CN(C)C(=O)CNC(=O)CNC(=O)c1cc2sccc2n1C CN(C)C(=O)[*:1] Cn1c(cc2sccc21)C(=O)NCC(=O)NC[*:1]
CCc1onc(C)c1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CC(C)[*:1] CCc1onc(C)c1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1c(Oc2cccc([N+](=O)[O-])c2)nn2c(C(F)(F)F)nnc2c1C FC(F)(F)[*:1] Cc1c(nn2c(nnc2c1C)[*:1])Oc1cccc(c1)[N+](=O)[O-]
Cc1c(Oc2cccc([N+](=O)[O-])c2)nn2c(C(F)(F)F)nnc2c1C O=[N+]([O-])[*:1] Cc1c(nn2c(nnc2c1C)C(F)(F)F)Oc1cccc(c1)[*:1]
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)S[*:1] C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1[*:1]
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)[*:1] C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1S[*:1]
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1SC1CCCC1 N#Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccccc1SC1CCCC1
CCn1ccnc1CN1CCCN(C(=O)c2sccc2C)CC1 CCn1ccnc1[*:1] Cc1ccsc1C(=O)N1CCCN(CC1)C[*:1]
CCn1ccnc1CN1CCCN(C(=O)c2sccc2C)CC1 Cc1ccsc1[*:1] CCn1ccnc1CN1CCCN(CC1)C(=O)[*:1]
NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)o1 NS(=O)(=O)[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)c1ccc(o1)[*:1]
CC(C)c1ccc([C@@H](NC(=O)CS(=O)(=O)C2CCCC2)c2cccs2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(CS(=O)(=O)C1CCCC1)N[C@@H](c1cccs1)[*:1]
CC(C)c1ccc([C@@H](NC(=O)CS(=O)(=O)C2CCCC2)c2cccs2)cc1 C1CCC(C1)[*:1] CC(C)c1ccc(cc1)[C@@H](NC(=O)CS(=O)(=O)[*:1])c1cccs1
CC(C)c1ccc([C@@H](NC(=O)CS(=O)(=O)C2CCCC2)c2cccs2)cc1 c1csc(c1)[*:1] CC(C)c1ccc(cc1)[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)[*:1]
CC(C)c1ccc([C@@H](NC(=O)CS(=O)(=O)C2CCCC2)c2cccs2)cc1 O=S(=O)(C[*:1])C1CCCC1 CC(C)c1ccc(cc1)[C@@H](NC(=O)[*:1])c1cccs1
CC(C)c1ccc([C@@H](NC(=O)CS(=O)(=O)C2CCCC2)c2cccs2)cc1 O=S(=O)(C1CCCC1)[*:1] CC(C)c1ccc(cc1)[C@@H](NC(=O)C[*:1])c1cccs1
CC(C)c1ccc([C@@H](NC(=O)CS(=O)(=O)C2CCCC2)c2cccs2)cc1 CC(C)[*:1] O=C(CS(=O)(=O)C1CCCC1)N[C@H](c1ccc(cc1)[*:1])c1cccs1
CCCN1CCc2nc(NC#N)nc(C)c2C1 CCC[*:1] Cc1nc(nc2CCN(Cc12)[*:1])NC#N
CCCN1CCc2nc(NC#N)nc(C)c2C1 N#CN[*:1] CCCN1CCc2nc(nc(C)c2C1)[*:1]
CCc1cc(C(=O)Nc2ccc(NC(=O)NC)cc2)sc1C CNC(=O)N[*:1] CCc1cc(sc1C)C(=O)Nc1ccc(cc1)[*:1]
COCCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1cnn(C)c1C)CC2 Cc1c(cnn1C)[*:1] COCCN1C(=O)N(C)C(=O)C12CC[NH+](CC2)C[*:1]
COCCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1cnn(C)c1C)CC2 COCC[*:1] Cc1c(cnn1C)C[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2[*:1]
COCCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1cnn(C)c1C)CC2 Cc1c(cnn1C)C[*:1] COCCN1C(=O)N(C)C(=O)C12CC[NH+](CC2)[*:1]
COCCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1cnn(C)c1C)CC2 COC[*:1] Cc1c(cnn1C)C[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2C[*:1]
Cc1cc(N2CCN([C@@H](C)C(=O)Nc3cc(F)ccc3F)CC2)nc(C(C)C)[nH+]1 Fc1ccc(F)c(c1)[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
Cc1cc(N2CCN([C@@H](C)C(=O)Nc3cc(F)ccc3F)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCN(CC1)[C@@H](C)C(=O)Nc1cc(F)ccc1F
Cc1occc1-c1nnc(SCC(=O)NCc2ccc(Cl)cc2)n1N Cc1occc1[*:1] Nn1c(nnc1[*:1])SCC(=O)NCc1ccc(Cl)cc1
Cc1occc1-c1nnc(SCC(=O)NCc2ccc(Cl)cc2)n1N Clc1ccc(cc1)C[*:1] Cc1occc1-c1nnc(SCC(=O)N[*:1])n1N
Cc1occc1-c1nnc(SCC(=O)NCc2ccc(Cl)cc2)n1N Clc1ccc(cc1)[*:1] Cc1occc1-c1nnc(SCC(=O)NC[*:1])n1N
CCn1cc(S(=O)(=O)N2CCC[C@]3(C2)OCCc2cnc(C(C)C)nc23)cn1 CCn1cc(cn1)[*:1] CC(C)c1ncc2CCO[C@@]3(CCCN(C3)S(=O)(=O)[*:1])c2n1
CCn1cc(S(=O)(=O)N2CCC[C@]3(C2)OCCc2cnc(C(C)C)nc23)cn1 CC(C)[*:1] CCn1cc(cn1)S(=O)(=O)N1CCC[C@]2(C1)OCCc1cnc(nc12)[*:1]
Cn1cnn(-c2ccc(NCc3ccc4c(c3)OCCO4)cc2)c1=O Cn1cnn(c1=O)[*:1] c1cc2OCCOc2cc1CNc1ccc(cc1)[*:1]
Cc1cc(NC(=O)C(=O)NCc2ccco2)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])NC(=O)C(=O)NCc1ccco1
Cc1cc(NC(=O)C(=O)NCc2ccco2)ccc1-n1cnnn1 c1coc(c1)[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)C(=O)NC[*:1]
Cc1cc(NC(=O)C(=O)NCc2ccco2)ccc1-n1cnnn1 c1coc(c1)C[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)C(=O)N[*:1]
C[C@@H](NC(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1)c1nccs1 c1csc(n1)[*:1] C[C@@H](NC(=O)c1cc(COc2cccc(c2)C(F)(F)F)on1)[*:1]
C[C@@H](NC(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1)c1nccs1 FC(F)(F)[*:1] C[C@@H](NC(=O)c1cc(COc2cccc(c2)[*:1])on1)c1nccs1
O=C1COc2cc(C(=O)NCCCCC3CCCC3)ccc2N1 C1CCC(C1)CC[*:1] O=C1COc2cc(ccc2N1)C(=O)NCC[*:1]
O=C1COc2cc(C(=O)NCCCCC3CCCC3)ccc2N1 C1CCC(C1)C[*:1] O=C1COc2cc(ccc2N1)C(=O)NCCC[*:1]
O=C1COc2cc(C(=O)NCCCCC3CCCC3)ccc2N1 C1CCC(C1)[*:1] O=C1COc2cc(ccc2N1)C(=O)NCCCC[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1cccs1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NNC(=O)c1cccs1
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(Br)=C/c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)C(Br)=C[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(Br)=C/c1ccccc1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)/C(Br)=C/c1ccccc1)[*:1]
Cc1cc(=O)c(C(=O)N[C@H](Cc2ccccc2)C2CCCC2)c[nH]1 c1ccc(cc1)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)N[C@H](C[*:1])C1CCCC1
Cc1cc(=O)c(C(=O)N[C@H](Cc2ccccc2)C2CCCC2)c[nH]1 c1ccc(cc1)C[*:1] Cc1cc(=O)c(c[nH]1)C(=O)N[C@H](C1CCCC1)[*:1]
Cc1cc(=O)c(C(=O)N[C@H](Cc2ccccc2)C2CCCC2)c[nH]1 C1CCC(C1)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)N[C@H](Cc1ccccc1)[*:1]
Cc1cc(=O)c(C(=O)N[C@H](Cc2ccccc2)C2CCCC2)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] O=C(N[C@H](Cc1ccccc1)C1CCCC1)[*:1]
CC(C)(C)n1cc(NC(=O)c2cc(=O)c3ccccc3o2)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)[*:1])c1cc(=O)c2ccccc2o1
CCCN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 CCC[*:1] O=C(c1ccc(=O)[nH]c1)N1CCN(CC1)[*:1]
C[C@@H](Cc1ccsc1)N[C@@H](CCC#N)c1ccccc1 N#CCC[*:1] C[C@@H](Cc1ccsc1)N[C@@H](c1ccccc1)[*:1]
C[C@@H](Cc1ccsc1)N[C@@H](CCC#N)c1ccccc1 c1cc(cs1)C[*:1] C[C@@H](N[C@@H](CCC#N)c1ccccc1)[*:1]
C[C@@H](Cc1ccsc1)N[C@@H](CCC#N)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1ccsc1)N[C@@H](CCC#N)[*:1]
C[C@@H](Cc1ccsc1)N[C@@H](CCC#N)c1ccccc1 N#CC[*:1] C[C@@H](Cc1ccsc1)N[C@@H](C[*:1])c1ccccc1
C[C@@H](Cc1ccsc1)N[C@@H](CCC#N)c1ccccc1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N[C@@H](CCC#N)c1ccccc1
CCOC(=O)C1(C)CCN(C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 FC(F)(F)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[C@H]1CCCC[C@H]1[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)c(C)c1 Cc1ccc(NC(=O)[*:1])c(C)c1 Cc1nc(no1)-c1ccc(Cl)c(c1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nc(no1)-c1ccc(Cl)c(c1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)C2)c(C)c1 Cc1nc(no1)[*:1] Cc1ccc(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)c2cc(ccc2Cl)[*:1])c(C)c1
Cc1c(CN2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)cc(C#N)n1C c1cnc(nc1)[*:1] Cc1c(cc(C#N)n1C)CN1C[C@H]2CC[C@@H]1CN(C2)[*:1]
CC(C)CC[C@@H](C)NC(=O)NCc1cc(=O)[nH]c2ccccc12 CC(C)CC[*:1] C[C@@H](NC(=O)NCc1cc(=O)[nH]c2ccccc12)[*:1]
CC(C)CC[C@@H](C)NC(=O)NCc1cc(=O)[nH]c2ccccc12 CC(C)CC[C@@H](C)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)N[*:1]
CC(C)CC[C@@H](C)NC(=O)NCc1cc(=O)[nH]c2ccccc12 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)NCc1cc(=O)[nH]c2ccccc12
CC(C)CC[C@@H](C)NC(=O)NCc1cc(=O)[nH]c2ccccc12 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)NCc1cc(=O)[nH]c2ccccc12
Cc1ncc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2C)n1 FC(F)(F)[*:1] Cc1ncc(Cl)c(n1)C(=O)Nc1cc(ccc1C)[*:1]
COc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)c1 COc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12
COc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)c1 COc1cccc(c1)NC(=O)[*:1] CN(C[*:1])C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12
Cc1cc(C(=O)NCC(=O)OCc2ccccc2)nn1C Cc1cc(nn1C)[*:1] O=C(CNC(=O)[*:1])OCc1ccccc1
Cc1cc(C(=O)NCC(=O)OCc2ccccc2)nn1C c1ccc(cc1)[*:1] Cc1cc(nn1C)C(=O)NCC(=O)OC[*:1]
Cc1cc(C(=O)NCC(=O)OCc2ccccc2)nn1C c1ccc(cc1)C[*:1] Cc1cc(nn1C)C(=O)NCC(=O)O[*:1]
CCOc1cc(/C=C2/SC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-] Cc1ccc(cc1C)[*:1] CCOc1cc(/C=C2/SC(=O)N(C2=O)[*:1])ccc1O[C@@H](C)C(=O)[O-]
CCOc1cc(/C=C2/SC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-] O=C([O-])[*:1] CCOc1cc(/C=C2/SC(=O)N(C2=O)c2ccc(C)c(C)c2)ccc1O[C@@H](C)[*:1]
CCOc1cc(/C=C2/SC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-] CCO[*:1] Cc1ccc(cc1C)N1C(=O)S/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])c(c2)[*:1])C1=O
Cc1cc(F)cc(S(=O)(=O)/N=C(\[O-])c2cn(C)nc2C(C)(C)C)c1 Cc1cc(F)cc(c1)[*:1] Cn1cc(/C([O-])=N/S(=O)(=O)[*:1])c(n1)C(C)(C)C
Cc1cc(F)cc(S(=O)(=O)/N=C(\[O-])c2cn(C)nc2C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cc(F)cc(c1)S(=O)(=O)/N=C(\[O-])c1cn(C)nc1[*:1]
C[C@H](CNC(=O)c1ccn(-c2ccc(F)cc2)n1)Oc1ccccc1F Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccn(n1)[*:1])Oc1ccccc1F
C[C@H](CNC(=O)c1ccn(-c2ccc(F)cc2)n1)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@H](CNC(=O)c1ccn(n1)-c1ccc(F)cc1)[*:1]
C[C@H](CNC(=O)c1ccn(-c2ccc(F)cc2)n1)Oc1ccccc1F Fc1ccccc1[*:1] C[C@H](CNC(=O)c1ccn(n1)-c1ccc(F)cc1)O[*:1]
Cc1ccc(-c2cc(C(=O)N3CCN(C4=[NH+]C[C@H](C)S4)CC3)on2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)c1cc(no1)[*:1]
CO[C@H]1CCC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)C1 Cc1nc(cc(=O)[nH]1)[*:1] CO[C@H]1CCC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CO[C@H]1CCC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)C1 c1ccc2c(c[nH]c2c1)C[*:1] CO[C@H]1CCC[C@@H](C1)C(=O)N[C@@H](c1cc(=O)[nH]c(C)n1)[*:1]
CO[C@H]1CCC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)C1 c1ccc2c(c[nH]c2c1)[*:1] CO[C@H]1CCC[C@@H](C1)C(=O)N[C@@H](C[*:1])c1cc(=O)[nH]c(C)n1
CCC(CC)[NH2+][C@@H]1c2ccccc2C[C@H]1Cl CCC(CC)[*:1] Cl[C@@H]1Cc2ccccc2[C@H]1[NH2+][*:1]
Cc1nc2c(-c3ccccc3)c(C)nn2c([O-])c1CCC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c([O-])c1CCC(=O)N[*:1]
Cc1nc2c(-c3ccccc3)c(C)nn2c([O-])c1CCC(=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c([O-])c1CC[*:1]
Cc1nc2c(-c3ccccc3)c(C)nn2c([O-])c1CCC(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cc1nc2c(c(C)nn2c([O-])c1CCC(=O)Nc1ccc(Cl)cc1)[*:1]
CC(C)CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3ccccn3)cc2C1=O c1ccc(nc1)[*:1] CC(C)CCN1C(=O)c2ccc(cc2C1=O)C(=O)[C@@H](C#N)[*:1]
CC(C)CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3ccccn3)cc2C1=O CC(C)[*:1] N#C[C@H](C(=O)c1ccc2C(=O)N(CC[*:1])C(=O)c2c1)c1ccccn1
CC(C)CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3ccccn3)cc2C1=O CC(C)C[*:1] N#C[C@H](C(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1)c1ccccn1
CC(C)CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3ccccn3)cc2C1=O CC(C)CC[*:1] N#C[C@H](C(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])c1ccccn1
C[NH+](CC1CC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S c1cncc(c1)[*:1] C[NH+](CC1CC1)Cn1nc(n(c1=S)C1CC1)[*:1]
C[NH+](CC1CC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S C1CC1[*:1] C[NH+](CC1CC1)Cn1nc(-c2cccnc2)n(c1=S)[*:1]
C[NH+](CC1CC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S C1CC1C[*:1] C[NH+](Cn1nc(-c2cccnc2)n(c1=S)C1CC1)[*:1]
C[NH+](CC1CC1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S C1CC1[*:1] C[NH+](Cn1nc(-c2cccnc2)n(c1=S)C1CC1)C[*:1]
C[C@H](CO)[C@@H](C)NC(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] C[C@H](CO)[C@@H](C)NC(=O)NC1CCN(CC1)c1ccc(cc1)[*:1]
CC[C@@H]1CCC[C@H](NC(=O)N2CCCN(c3ncccc3C#N)CC2)C1 N#Cc1cccnc1[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)N1CCCN(CC1)[*:1]
COC(=O)CSCCNC(=O)N1CC=C(c2ccccc2Cl)CC1 COC(=O)C[*:1] O=C(NCCS[*:1])N1CC=C(CC1)c1ccccc1Cl
COC(=O)CSCCNC(=O)N1CC=C(c2ccccc2Cl)CC1 COC(=O)CSC[*:1] O=C(NC[*:1])N1CC=C(CC1)c1ccccc1Cl
COC(=O)CSCCNC(=O)N1CC=C(c2ccccc2Cl)CC1 COC(=O)CSCC[*:1] O=C(N[*:1])N1CC=C(CC1)c1ccccc1Cl
COC(=O)CSCCNC(=O)N1CC=C(c2ccccc2Cl)CC1 COC(=O)[*:1] O=C(NCCSC[*:1])N1CC=C(CC1)c1ccccc1Cl
COC(=O)CSCCNC(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] COC(=O)CSCCNC(=O)N1CC=C(CC1)[*:1]
COC(=O)CSCCNC(=O)N1CC=C(c2ccccc2Cl)CC1 COC(=O)CS[*:1] O=C(NCC[*:1])N1CC=C(CC1)c1ccccc1Cl
COc1cccc(CN(Cc2cc(=O)n3ccsc3[nH+]2)C[C@H]2CCCO2)c1 COc1cccc(c1)[*:1] O=c1cc(CN(C[C@H]2CCCO2)C[*:1])[nH+]c2sccn12
COc1cccc(CN(Cc2cc(=O)n3ccsc3[nH+]2)C[C@H]2CCCO2)c1 COc1cccc(c1)C[*:1] O=c1cc(CN(C[C@H]2CCCO2)[*:1])[nH+]c2sccn12
COc1cccc(CN(Cc2cc(=O)n3ccsc3[nH+]2)C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] COc1cccc(c1)CN(Cc1cc(=O)n2ccsc2[nH+]1)[*:1]
COc1cccc(CN(Cc2cc(=O)n3ccsc3[nH+]2)C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] COc1cccc(c1)CN(Cc1cc(=O)n2ccsc2[nH+]1)C[*:1]
Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n(-c2ccccc2)n1C FC(F)(F)[*:1] Cc1c(NC(=O)/C(C#N)=C/c2ccc(o2)-c2cccc(c2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n(-c2ccccc2)n1C FC(F)(F)c1cccc(c1)[*:1] Cc1c(NC(=O)/C(C#N)=C/c2ccc(o2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)/C(C#N)=C/c2ccc(o2)-c2cccc(c2)C(F)(F)F)c(=O)n(n1C)[*:1]
O=C(/C=C/c1cnc2ccccc2n1)N[C@@H](c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] O=C(/C=C/c1cnc2ccccc2n1)N[C@@H](c1ccncc1)[*:1]
O=C(/C=C/c1cnc2ccccc2n1)N[C@@H](c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] O=C(/C=C/c1cnc2ccccc2n1)N[C@@H](c1ccccc1)[*:1]
O=C(NCCc1cccc(-c2ccsc2)c1)c1cnn2c1SCC2 c1cc(cs1)[*:1] O=C(NCCc1cccc(c1)[*:1])c1cnn2CCSc12
CC(C)CS(=O)(=O)CC(=O)NCC(C)(C)c1cccc(Br)c1 CC(C)C[*:1] CC(C)(CNC(=O)CS(=O)(=O)[*:1])c1cccc(Br)c1
CC(C)CS(=O)(=O)CC(=O)NCC(C)(C)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CC(C)CS(=O)(=O)CC(=O)NCC(C)(C)[*:1]
CC(C)CS(=O)(=O)CC(=O)NCC(C)(C)c1cccc(Br)c1 CC(C)CS(=O)(=O)[*:1] CC(C)(CNC(=O)C[*:1])c1cccc(Br)c1
CC(C)CS(=O)(=O)CC(=O)NCC(C)(C)c1cccc(Br)c1 CC(C)[*:1] CC(C)(CNC(=O)CS(=O)(=O)C[*:1])c1cccc(Br)c1
Cc1sc(=O)n(CC(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1-c1ccc(F)cc1 NC(=O)[*:1] Cc1sc(=O)n(CC(=O)Nc2ccc(c(Cl)c2)[*:1])c1-c1ccc(F)cc1
Cc1sc(=O)n(CC(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(=O)n(CC(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1[*:1]
C[C@H]1CC[C@@H](NC(=O)NC2CCCC2)[C@H](C)[NH2+]1 C1CCC(C1)[*:1] C[C@H]1CC[C@@H](NC(=O)N[*:1])[C@H](C)[NH2+]1
COc1ccc(CCNc2ncc3c(n2)C[C@@H](c2ccc(OC)cc2)CC3=O)cc1 COc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@H]1CC(=O)c2cnc(nc2C1)NC[*:1]
COc1ccc(CCNc2ncc3c(n2)C[C@@H](c2ccc(OC)cc2)CC3=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CC(=O)c2cnc(nc2C1)NCC[*:1]
COc1ccc(CCNc2ncc3c(n2)C[C@@H](c2ccc(OC)cc2)CC3=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)CCNc1ncc2C(=O)C[C@H](Cc2n1)[*:1]
COc1ccc(CCNc2ncc3c(n2)C[C@@H](c2ccc(OC)cc2)CC3=O)cc1 COc1ccc(cc1)CC[*:1] COc1ccc(cc1)[C@H]1CC(=O)c2cnc(nc2C1)N[*:1]
Cc1ccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c(Br)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(cc2)[*:1])c(Br)c1
COC(=O)c1cc(Sc2ccccc2)ncn1 COC(=O)[*:1] c1ccc(cc1)Sc1cc(ncn1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NCc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NCc1cn(nc1-c1cccnc1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NCc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NCc1cn(C[*:1])nc1-c1cccnc1
C[NH+](C)[C@H]1CC[C@H](NCc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 c1cncc(c1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NCc1cn(Cc2ccccc2)nc1[*:1]
CO[C@@H](C)c1noc([C@@H](Cl)c2ccccc2)n1 CO[C@@H](C)[*:1] Cl[C@@H](c1ccccc1)c1nc(no1)[*:1]
CCOc1cc(C=O)ccc1OCc1cc(C)cc(C)c1 CCO[*:1] Cc1cc(C)cc(c1)COc1ccc(C=O)cc1[*:1]
Cc1nc([C@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1nc(nc2c1CC(=O)N2[*:1])[C@H]1CCCN(C1)C(=O)c1cnccn1
Cc1nc([C@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 c1cnc(cn1)[*:1] Cc1nc(nc2c1CC(=O)N2Cc1ccc(F)cc1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1nc([C@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(nc2c1CC(=O)N2C[*:1])[C@H]1CCCN(C1)C(=O)c1cnccn1
Cc1csc([C@H](C)NC(=O)CCc2ccco2)n1 c1coc(c1)C[*:1] Cc1csc(n1)[C@H](C)NC(=O)C[*:1]
Cc1csc([C@H](C)NC(=O)CCc2ccco2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)CCc1ccco1)[*:1]
Cc1csc([C@H](C)NC(=O)CCc2ccco2)n1 c1coc(c1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)CC[*:1]
COCc1cc(C(=O)Nc2cc(Cl)ccc2NC2CC2)no1 C1CC1N[*:1] COCc1cc(no1)C(=O)Nc1cc(Cl)ccc1[*:1]
COCc1cc(C(=O)Nc2cc(Cl)ccc2NC2CC2)no1 C1CC1[*:1] COCc1cc(no1)C(=O)Nc1cc(Cl)ccc1N[*:1]
COCc1cc(C(=O)Nc2cc(Cl)ccc2NC2CC2)no1 COC[*:1] O=C(Nc1cc(Cl)ccc1NC1CC1)c1cc(on1)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SC1=NCCS1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)[C@H](C)SC1=NCCS1)[*:1]
CC(=O)Nc1ccccc1OCc1csc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccccc1OCc1csc(n1)[*:1]
CC(=O)Nc1ccccc1OCc1csc(-c2ccc(F)cc2)n1 CC(=O)N[*:1] Fc1ccc(cc1)-c1nc(cs1)COc1ccccc1[*:1]
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 O=C([O-])[*:1] O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(cc1)[*:1]
Nc1c(C(=O)NCC2CCCC2)cccc1C(F)(F)F C1CCC(C1)[*:1] Nc1c(cccc1C(F)(F)F)C(=O)NC[*:1]
Nc1c(C(=O)NCC2CCCC2)cccc1C(F)(F)F C1CCC(C1)C[*:1] Nc1c(cccc1C(F)(F)F)C(=O)N[*:1]
Nc1c(C(=O)NCC2CCCC2)cccc1C(F)(F)F FC(F)(F)[*:1] Nc1c(cccc1[*:1])C(=O)NCC1CCCC1
O=C([O-])CCOCc1ccccc1 O=C([O-])C[*:1] c1ccc(cc1)COC[*:1]
O=C([O-])CCOCc1ccccc1 O=C([O-])[*:1] c1ccc(cc1)COCC[*:1]
Cc1cc(C)cc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 Cc1cc(C)cc(c1)O[*:1] CC(C)[C@@H](NC(=O)C[*:1])c1ccc2OCCOc2c1
Cc1cc(C)cc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 CC(C)[*:1] Cc1cc(C)cc(c1)OCC(=O)N[C@@H](c1ccc2OCCOc2c1)[*:1]
Cc1cc(C)cc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 Cc1cc(C)cc(c1)[*:1] CC(C)[C@@H](NC(=O)CO[*:1])c1ccc2OCCOc2c1
Cn1cnc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)c1 Cn1cnc(c1)[*:1] O=S(=O)(Oc1c(Cl)cc(Cl)cc1Cl)[*:1]
Cc1c[nH]c(CN(C)C(=O)c2cc(C(C)C)on2)[nH+]1 CC(C)[*:1] Cc1c[nH]c(CN(C)C(=O)c2cc(on2)[*:1])[nH+]1
C/C(CC(N)=O)=N\NC(=O)Nc1ccccc1 NC(=O)C[*:1] CC(=NNC(=O)Nc1ccccc1)[*:1]
C/C(CC(N)=O)=N\NC(=O)Nc1ccccc1 NC(=O)[*:1] C/C(C[*:1])=N\NC(=O)Nc1ccccc1
COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 COC(=O)[*:1] O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)N1c2ccccc2C[C@H]1[*:1]
COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(c(c1)[*:1])N1CCCC1
CCC[NH2+]Cc1cc(F)c(O[C@@H](C)[C@H](C)O)c(F)c1 C[C@H](O)[C@H](C)O[*:1] CCC[NH2+]Cc1cc(F)c(c(F)c1)[*:1]
CCC[NH2+]Cc1cc(F)c(O[C@@H](C)[C@H](C)O)c(F)c1 CCC[*:1] C[C@H](O)[C@H](C)Oc1c(F)cc(cc1F)C[NH2+][*:1]
CCC[NH2+]Cc1cc(F)c(O[C@@H](C)[C@H](C)O)c(F)c1 C[C@H](O)[C@H](C)[*:1] CCC[NH2+]Cc1cc(F)c(O[*:1])c(F)c1
CCC[NH2+]Cc1cc(F)c(O[C@@H](C)[C@H](C)O)c(F)c1 C[C@H](O)[*:1] CCC[NH2+]Cc1cc(F)c(O[C@@H](C)[*:1])c(F)c1
CCc1cc(Sc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)n2ncnc2n1 COc1ccc(cc1OC)[*:1] CCc1cc(Sc2ccc(cc2)NC(=O)[*:1])n2ncnc2n1
CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N2CCCCCCC2)CC1 CC(=O)N1CCC(CC1)[*:1] O=C(c1cc(Cl)ccc1O[*:1])N1CCCCCCC1
CCCCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 CCCC[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 CCC[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(C[*:1])s1
FC(F)(Cl)c1nnc2sc(-c3cc(-c4cccs4)n[nH]3)nn12 c1csc(c1)[*:1] FC(F)(Cl)c1nnc2sc(nn12)-c1cc(n[nH]1)[*:1]
FC(F)(Cl)c1nnc2sc(-c3cc(-c4cccs4)n[nH]3)nn12 FC(F)(Cl)[*:1] c1csc(c1)-c1cc([nH]n1)-c1nn2c(nnc2s1)[*:1]
Cc1cc(C)nc(NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1 c1cc(ccn1)[*:1] Cc1cc(C)nc(n1)NNC(=O)c1cc(nc2ccccc12)[*:1]
Cc1cc(C)nc(NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1 Cc1cc(C)nc(n1)[*:1] O=C(NN[*:1])c1cc(nc2ccccc12)-c1ccncc1
CN(C)C(=O)CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 Brc1ccc(cc1)[*:1] CN(C)C(=O)CNC(=O)c1cc(n[nH]1)[*:1]
CN(C)C(=O)CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 CN(C)C(=O)C[*:1] O=C(N[*:1])c1cc(n[nH]1)-c1ccc(Br)cc1
CN(C)C(=O)CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 CN(C)C(=O)[*:1] O=C(NC[*:1])c1cc(n[nH]1)-c1ccc(Br)cc1
O=C(NNc1ccc(Br)cc1Cl)[C@H]1C[C@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NNc1ccc(Br)cc1Cl)[C@H]1C[C@@H]1[*:1]
CCc1nn(C)cc1NC(=O)N(CCO)C1CC1 OCC[*:1] CCc1nn(C)cc1NC(=O)N(C1CC1)[*:1]
CCc1nn(C)cc1NC(=O)N(CCO)C1CC1 C1CC1[*:1] CCc1nn(C)cc1NC(=O)N(CCO)[*:1]
Cc1cccc(-c2noc([C@H]3CC(=O)N(Cc4ccccn4)C3)n2)c1 c1ccc(C[*:1])nc1 Cc1cccc(c1)-c1noc(n1)[C@H]1CC(=O)N(C1)[*:1]
Cc1cccc(-c2noc([C@H]3CC(=O)N(Cc4ccccn4)C3)n2)c1 Cc1cccc(c1)[*:1] O=C1C[C@@H](CN1Cc1ccccn1)c1nc(no1)[*:1]
Cc1cccc(-c2noc([C@H]3CC(=O)N(Cc4ccccn4)C3)n2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)-c1noc(n1)[C@H]1CC(=O)N(C1)C[*:1]
O=C([O-])CCC(=O)Nc1cc(Cl)cc(Cl)c1 O=C([O-])CC[*:1] O=C(Nc1cc(Cl)cc(Cl)c1)[*:1]
O=C([O-])CCC(=O)Nc1cc(Cl)cc(Cl)c1 O=C([O-])[*:1] O=C(CC[*:1])Nc1cc(Cl)cc(Cl)c1
O=C([O-])CCC(=O)Nc1cc(Cl)cc(Cl)c1 O=C([O-])C[*:1] O=C(C[*:1])Nc1cc(Cl)cc(Cl)c1
O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1c2ccc(c3c(ccc(C(=O)N1N[*:1])c23)[N+](=O)[O-])[N+](=O)[O-]
O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1Nc1ccc(Cl)cc1 O=[N+]([O-])[*:1] O=C1c2ccc(c3c(ccc(C(=O)N1Nc1ccc(Cl)cc1)c23)[*:1])[N+](=O)[O-]
CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc21 O=[N+]([O-])[*:1] CCS(=O)(=O)N1CCc2cc(ccc21)C(=O)Nc1cccc(c1C)[*:1]
C[C@@H](O)CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 C[C@@H](O)[*:1] N#C[C@@H](c1ccccc1)c1ccc(cc1Cl)NC(=O)C(=O)NC[*:1]
C[C@@H](O)CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] C[C@@H](O)CNC(=O)C(=O)Nc1ccc(c(Cl)c1)[C@@H](C#N)[*:1]
C[C@@H](O)CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 C[C@@H](O)C[*:1] N#C[C@@H](c1ccccc1)c1ccc(cc1Cl)NC(=O)C(=O)N[*:1]
O=C(Nc1ccccc1[C@H]1[NH+]=c2ccccc2=[NH+]C1=O)c1cccs1 O=C(N[*:1])c1cccs1 O=C1[NH+]=c2ccccc2=[NH+][C@@H]1c1ccccc1[*:1]
O=C(Nc1ccccc1[C@H]1[NH+]=c2ccccc2=[NH+]C1=O)c1cccs1 c1csc(c1)[*:1] O=C1[NH+]=c2ccccc2=[NH+][C@@H]1c1ccccc1NC(=O)[*:1]
CCCOC(=O)[C@H](C)Sc1nnc(-c2ccc(C)c(C)c2)o1 CCC[*:1] Cc1ccc(cc1C)-c1nnc(o1)S[C@@H](C)C(=O)O[*:1]
CCCOC(=O)[C@H](C)Sc1nnc(-c2ccc(C)c(C)c2)o1 CCCOC(=O)[*:1] Cc1ccc(cc1C)-c1nnc(o1)S[C@@H](C)[*:1]
N#Cc1cccc(S(=O)(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] N#Cc1cccc(c1)S(=O)(=O)N[C@H](C#N)[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](C)Cn2cccn2)cc1 CC(C)NC(=O)NC[*:1] C[C@H](Cn1cccn1)NC(=O)c1ccc(cc1)[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](C)Cn2cccn2)cc1 c1cnn(c1)[*:1] CC(C)NC(=O)NCc1ccc(cc1)C(=O)N[C@H](C)C[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](C)Cn2cccn2)cc1 CC(C)[*:1] C[C@H](Cn1cccn1)NC(=O)c1ccc(cc1)CNC(=O)N[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](C)Cn2cccn2)cc1 CC(C)NC(=O)N[*:1] C[C@H](Cn1cccn1)NC(=O)c1ccc(cc1)C[*:1]
CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](C)Cn2cccn2)cc1 c1cnn(c1)C[*:1] CC(C)NC(=O)NCc1ccc(cc1)C(=O)N[C@H](C)[*:1]
Cc1cccc2ncnc(NC[C@H](O)c3ccc(F)cc3)c12 Fc1ccc(cc1)[*:1] Cc1cccc2ncnc(NC[C@H](O)[*:1])c12
CC(=O)c1cccc(NCC(=O)N2CCCc3ccccc32)c1 CC(=O)[*:1] O=C(CNc1cccc(c1)[*:1])N1CCCc2ccccc21
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC([C@@H](C)O)CC1 COC(=O)[*:1] C[C@@H](O)C1CCN(CC1)[C@H](c1cccc(C#N)c1)[*:1]
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC([C@@H](C)O)CC1 C[C@@H](O)[*:1] COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(CC1)[*:1]
CCCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1 CCCC[*:1] CNS(=O)(=O)c1cc(cc(C)c1C)C(=O)NC[*:1]
CCCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1 CNS(=O)(=O)[*:1] CCCCCNC(=O)c1cc(C)c(C)c(c1)[*:1]
CCCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1 CCC[*:1] CNS(=O)(=O)c1cc(cc(C)c1C)C(=O)NCC[*:1]
CCCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1 CCCCC[*:1] CNS(=O)(=O)c1cc(cc(C)c1C)C(=O)N[*:1]
CC1=Nc2ncnn2C(=O)[C@@H]1CCC(=O)N[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC1=Nc2ncnn2C(=O)[C@@H]1CCC(=O)N[C@H](C)[*:1]
CC1=Nc2ncnn2C(=O)[C@@H]1CCC(=O)N[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] CC1=Nc2ncnn2C(=O)[C@@H]1CCC(=O)N[*:1]
Cc1ccc([C@@]2(C)C[NH+]=C(N)N2CC(C)C)cc1C CC(C)[*:1] Cc1ccc(cc1C)[C@@]1(C)C[NH+]=C(N)N1C[*:1]
Cc1ccc([C@@]2(C)C[NH+]=C(N)N2CC(C)C)cc1C CC(C)C[*:1] Cc1ccc(cc1C)[C@@]1(C)C[NH+]=C(N)N1[*:1]
Cc1ccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)N4CCCC4)cc32)cc1 Cc1ccc(cc1)NC(=O)[*:1] CC1(C)Oc2ccc(cc2N(C[*:1])C1=O)C(=O)N1CCCC1
Cc1ccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)N4CCCC4)cc32)cc1 Cc1ccc(cc1)[*:1] CC1(C)Oc2ccc(cc2N(CC(=O)N[*:1])C1=O)C(=O)N1CCCC1
Cc1ccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)N4CCCC4)cc32)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)NC(=O)CN1C(=O)C(C)(C)Oc2ccc(cc21)[*:1]
CC(C)N(C)C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 CC(C)[*:1] C[C@H]1CN(Cc2ccc(cc2)CNC(=O)N(C)[*:1])C[C@@H](C)O1
CC(C)N(C)C(=O)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 CC(C)N(C)C(=O)N[*:1] C[C@H]1CN(Cc2ccc(cc2)C[*:1])C[C@@H](C)O1
COc1ccccc1[C@H](NC(=O)[C@@H](C)C1CCOCC1)c1ccccn1 COc1ccccc1[*:1] C[C@H](C(=O)N[C@H](c1ccccn1)[*:1])C1CCOCC1
COc1ccccc1[C@H](NC(=O)[C@@H](C)C1CCOCC1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)[C@@H](C)C1CCOCC1)[*:1]
COc1ccccc1[C@H](NC(=O)[C@@H](C)C1CCOCC1)c1ccccn1 C1CC(CCO1)[*:1] COc1ccccc1[C@H](NC(=O)[C@@H](C)[*:1])c1ccccn1
COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)NC(=O)C(=O)NC[C@@](C)(O)[*:1]
CCN(CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] CCN(CC)C(=O)c1ccc(c(C)c1)[*:1]
Cc1cc(NC(=O)CC(C)(C)C)n(-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)n1 CC(C)(C)[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1ncnc2c1cnn2-c1ccc(C)c(C)c1
Cc1cc(NC(=O)CC(C)(C)C)n(-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)n1 Cc1ccc(cc1C)[*:1] Cc1cc(NC(=O)CC(C)(C)C)n(n1)-c1ncnc2c1cnn2[*:1]
Cc1cc(NC(=O)CC(C)(C)C)n(-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)n1 CC(C)(C)CC(=O)N[*:1] Cc1cc(n(n1)-c1ncnc2c1cnn2-c1ccc(C)c(C)c1)[*:1]
Cc1cc(NC(=O)CC(C)(C)C)n(-c2ncnc3c2cnn3-c2ccc(C)c(C)c2)n1 CC(C)(C)C[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ncnc2c1cnn2-c1ccc(C)c(C)c1
COc1cc(C)cc2oc(=O)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)c12 O[C@@H](C[*:1])c1ccccc1 COc1cc(C)cc2oc(=O)c(CC(=O)N[*:1])c(C)c12
COc1cc(C)cc2oc(=O)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)c12 c1ccc(cc1)[*:1] COc1cc(C)cc2oc(=O)c(CC(=O)NC[C@H](O)[*:1])c(C)c12
COc1cc(C)cc2oc(=O)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)c12 O[C@H](c1ccccc1)[*:1] COc1cc(C)cc2oc(=O)c(CC(=O)NC[*:1])c(C)c12
CC(C)CCCCNC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CC(C)C[*:1] O=C(NCCC[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
CC(C)CCCCNC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CC(C)CCC[*:1] O=C(NC[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
CC(C)CCCCNC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CC(C)CC[*:1] O=C(NCC[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
CC(C)CCCCNC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CC(C)CCCC[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
CC(C)CCCCNC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CC(C)[*:1] O=C(NCCCC[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
Cc1cc(C(=O)NCCCn2nc(C)cc2C)c2c(C)nn(C)c2n1 Cc1cc(C)n(C[*:1])n1 Cc1cc(C(=O)NCC[*:1])c2c(C)nn(C)c2n1
Cc1cc(C(=O)NCCCn2nc(C)cc2C)c2c(C)nn(C)c2n1 Cc1cc(C)n(n1)[*:1] Cc1cc(C(=O)NCCC[*:1])c2c(C)nn(C)c2n1
CCn1c(SCC[NH+]2CCCCC2)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])SCC[NH+]1CCCCC1
Cc1nnc(Nc2ccccn2)c2ccccc12 c1ccc(nc1)[*:1] Cc1nnc(N[*:1])c2ccccc12
COC(=O)c1cc(NC(=O)/C=C/c2ccco2)cc(C(=O)OC)c1 COC(=O)[*:1] COC(=O)c1cc(cc(c1)[*:1])NC(=O)/C=C/c1ccco1
COC(=O)c1cc(NC(=O)/C=C/c2ccco2)cc(C(=O)OC)c1 c1coc(c1)[*:1] COC(=O)c1cc(cc(c1)C(=O)OC)NC(=O)C=C[*:1]
COC(=O)c1cc(NC(=O)/C=C/c2ccco2)cc(C(=O)OC)c1 C(=C[*:1])c1ccco1 COC(=O)c1cc(cc(c1)C(=O)OC)NC(=O)[*:1]
CCOc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCO3)cc1 CCO[*:1] C[C@H](NC(=O)Nc1ccc2OCCc2c1)c1ccc(cc1)[*:1]
C[C@H](N[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1cccc2ccccc12 NC(=O)c1ccc(cc1)[*:1] C[C@H](N[C@H](C)C(=O)N[*:1])c1cccc2ccccc12
C[C@H](N[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1cccc2ccccc12 NC(=O)[*:1] C[C@H](N[C@H](C)C(=O)Nc1ccc(cc1)[*:1])c1cccc2ccccc12
CC(C)c1nn(C)cc1CN(C)[C@@H](C)Cc1ccc(O)cc1 Oc1ccc(cc1)[*:1] CC(C)c1nn(C)cc1CN(C)[C@@H](C)C[*:1]
CC(C)c1nn(C)cc1CN(C)[C@@H](C)Cc1ccc(O)cc1 CC(C)[*:1] C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cn(C)nc1[*:1]
O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@H](OCc2ccccn2)C1 c1ccc(CO[*:1])nc1 O=C(c1cc2CCCCc2[nH]c1=O)N1CCC[C@H](C1)[*:1]
O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@H](OCc2ccccn2)C1 c1ccc(C[*:1])nc1 O=C(c1cc2CCCCc2[nH]c1=O)N1CCC[C@@H](C1)O[*:1]
O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@H](OCc2ccccn2)C1 c1ccc(nc1)[*:1] O=C(c1cc2CCCCc2[nH]c1=O)N1CCC[C@@H](C1)OC[*:1]
Cc1ccc(C(=O)N2CCC(OCCC[NH3+])CC2)c(C)n1 [NH3+]CCCO[*:1] Cc1ccc(C(=O)N2CCC(CC2)[*:1])c(C)n1
CC[C@H](C(=O)N1CCC(Cc2nc(C)no2)CC1)n1cccn1 Cc1noc(C[*:1])n1 CC[C@H](C(=O)N1CCC(CC1)[*:1])n1cccn1
CC[C@H](C(=O)N1CCC(Cc2nc(C)no2)CC1)n1cccn1 c1cnn(c1)[*:1] CC[C@H](C(=O)N1CCC(CC1)Cc1nc(C)no1)[*:1]
CC[C@H](C(=O)N1CCC(Cc2nc(C)no2)CC1)n1cccn1 Cc1noc(n1)[*:1] CC[C@H](C(=O)N1CCC(CC1)C[*:1])n1cccn1
O=C(C[C@H](O)c1ccccc1)NCCc1c(F)cccc1F c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])NCCc1c(F)cccc1F
COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2ccc(C)s2)C1 Cc1ccc(C[*:1])s1 COc1ccc(F)cc1C(=O)[C@H]1CCCN(C1)[*:1]
COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2ccc(C)s2)C1 Cc1ccc(s1)[*:1] COc1ccc(F)cc1C(=O)[C@H]1CCCN(C1)C[*:1]
COC(=O)c1sc2nc(C)nc(NC[C@@H](C)O)c2c1C COC(=O)[*:1] Cc1nc(NC[C@@H](C)O)c2c(C)c(sc2n1)[*:1]
COC(=O)c1sc2nc(C)nc(NC[C@@H](C)O)c2c1C C[C@@H](O)C[*:1] COC(=O)c1sc2nc(C)nc(N[*:1])c2c1C
COC(=O)c1sc2nc(C)nc(NC[C@@H](C)O)c2c1C C[C@@H](O)[*:1] COC(=O)c1sc2nc(C)nc(NC[*:1])c2c1C
COC(=O)c1sc2nc(C)nc(NC[C@@H](C)O)c2c1C C[C@@H](O)CN[*:1] COC(=O)c1sc2nc(C)nc(c2c1C)[*:1]
CCS[C@@H]1CCC[C@@H](NC(=O)c2cn(C)nc2-c2ccccc2)C1 CCS[*:1] Cn1cc(C(=O)N[C@@H]2CCC[C@H](C2)[*:1])c(n1)-c1ccccc1
CCS[C@@H]1CCC[C@@H](NC(=O)c2cn(C)nc2-c2ccccc2)C1 c1ccc(cc1)[*:1] CCS[C@@H]1CCC[C@H](C1)NC(=O)c1cn(C)nc1[*:1]
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(C(C)(C)C)cc1)C1=C(N2)c2ccccc2C1=O CC(C)(C)c1ccc(cc1)[*:1] Cn1c2NC3=C(C(=O)c4ccccc43)[C@H](c2c(=O)n(C)c1=O)[*:1]
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(C(C)(C)C)cc1)C1=C(N2)c2ccccc2C1=O CC(C)(C)[*:1] Cn1c2NC3=C(C(=O)c4ccccc43)[C@H](c3ccc(cc3)[*:1])c2c(=O)n(C)c1=O
COC(=O)[C@]1(N)CCC[C@H]1CCSc1nnnn1C Cn1nnnc1[*:1] COC(=O)[C@]1(N)CCC[C@H]1CCS[*:1]
COC(=O)[C@]1(N)CCC[C@H]1CCSc1nnnn1C COC(=O)[*:1] Cn1nnnc1SCC[C@@H]1CCC[C@]1(N)[*:1]
COC(=O)c1c(NC(C)=O)sc2c1CCCCC2 CC(=O)N[*:1] COC(=O)c1c(sc2CCCCCc21)[*:1]
COC(=O)c1c(NC(C)=O)sc2c1CCCCC2 COC(=O)[*:1] CC(=O)Nc1sc2CCCCCc2c1[*:1]
Cc1cc(NC(=O)c2cc(-c3ccccc3F)on2)ccn1 Cc1cc(ccn1)[*:1] O=C(N[*:1])c1cc(on1)-c1ccccc1F
Cc1cc(NC(=O)c2cc(-c3ccccc3F)on2)ccn1 Fc1ccccc1[*:1] Cc1cc(ccn1)NC(=O)c1cc(on1)[*:1]
O=C(Cn1cnc2c(nnn2-c2cccc(F)c2)c1=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Cn1cnc2c(nnn2-c2cccc(F)c2)c1=O)N[*:1]
O=C(Cn1cnc2c(nnn2-c2cccc(F)c2)c1=O)Nc1ccc2c(c1)OCO2 Fc1cccc(c1)[*:1] O=C(Cn1cnc2c(nnn2[*:1])c1=O)Nc1ccc2OCOc2c1
O=C(NC1(c2nccs2)CCCC1)c1ccc2[nH]c(=S)oc2c1 c1csc(n1)[*:1] O=C(NC1(CCCC1)[*:1])c1ccc2[nH]c(=S)oc2c1
CCNC(=O)c1ccc(CNC(=O)NC[C@H](C)c2ccsc2)cc1 c1cc(cs1)[*:1] CCNC(=O)c1ccc(cc1)CNC(=O)NC[C@H](C)[*:1]
CCNC(=O)c1ccc(CNC(=O)NC[C@H](C)c2ccsc2)cc1 CCNC(=O)[*:1] C[C@@H](CNC(=O)NCc1ccc(cc1)[*:1])c1ccsc1
Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)nc12 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(Cl)c2sc(nc12)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)nc12 O=[N+]([O-])[*:1] Cc1ccc(Cl)c2sc(nc12)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
COC(=O)N(C)CCCC(=O)Nc1ccn(-c2ncccc2Cl)n1 COC(=O)N(C)C[*:1] O=C(CC[*:1])Nc1ccn(n1)-c1ncccc1Cl
COC(=O)N(C)CCCC(=O)Nc1ccn(-c2ncccc2Cl)n1 COC(=O)N(C)CC[*:1] O=C(C[*:1])Nc1ccn(n1)-c1ncccc1Cl
COC(=O)N(C)CCCC(=O)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] COC(=O)N(C)CCCC(=O)Nc1ccn(n1)[*:1]
COC(=O)N(C)CCCC(=O)Nc1ccn(-c2ncccc2Cl)n1 COC(=O)N(C)[*:1] O=C(CCC[*:1])Nc1ccn(n1)-c1ncccc1Cl
CNC(=O)NCC(=O)N(C[C@@H]1CCCCO1)C(C)C CC(C)[*:1] CNC(=O)NCC(=O)N(C[C@@H]1CCCCO1)[*:1]
CNC(=O)NCC(=O)N(C[C@@H]1CCCCO1)C(C)C CNC(=O)NC[*:1] CC(C)N(C[C@@H]1CCCCO1)C(=O)[*:1]
CNC(=O)NCC(=O)N(C[C@@H]1CCCCO1)C(C)C C1CC[C@H](OC1)[*:1] CNC(=O)NCC(=O)N(C[*:1])C(C)C
CNC(=O)NCC(=O)N(C[C@@H]1CCCCO1)C(C)C CNC(=O)N[*:1] CC(C)N(C[C@@H]1CCCCO1)C(=O)C[*:1]
COC[C@H](C)NC(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)CC[*:1] COC[C@H](C)NC(=O)N1CC[C@H](C1)O[*:1]
COC[C@H](C)NC(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)C[*:1] COC[C@H](C)NC(=O)N1CC[C@H](C1)OC[*:1]
COC[C@H](C)NC(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)CCO[*:1] COC[C@H](C)NC(=O)N1CC[C@@H](C1)[*:1]
COC[C@H](C)NC(=O)N1CC[C@@H](OCCC(C)C)C1 COC[C@H](C)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)N[*:1]
COC[C@H](C)NC(=O)N1CC[C@@H](OCCC(C)C)C1 COC[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)[*:1] COC[C@H](C)NC(=O)N1CC[C@H](C1)OCC[*:1]
C[NH+](Cc1cnc(-c2ccsc2)s1)C1(CO)CCSCC1 c1cc(cs1)[*:1] C[NH+](Cc1cnc(s1)[*:1])C1(CO)CCSCC1
COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c(OC)c1OC Clc1ccc(cc1)[*:1] COc1ccc(C(=O)N[C@@H](C)[*:1])c(OC)c1OC
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccccc1I O=S(=O)(N1CCCC1)[*:1] O=C(Nc1cc(ccc1O)[*:1])c1ccccc1I
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccccc1I Ic1ccccc1[*:1] O=C(Nc1cc(ccc1O)S(=O)(=O)N1CCCC1)[*:1]
C[C@@H](NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)C(C)(C)C[NH+](C)C CC(C)(C)[*:1] C[C@@H](NC(=O)N[C@H]1CC(=O)N(C1)[*:1])C(C)(C)C[NH+](C)C
COc1ccc([C@H]2CCN(C(=O)NCc3cc(F)cc(OC)c3)C2)cc1 COc1ccc(cc1)[*:1] COc1cc(F)cc(c1)CNC(=O)N1CC[C@@H](C1)[*:1]
COc1ccc(NC2=C(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 CC(=O)[*:1] COc1ccc(cc1)NC1C[C@](C)(O)[C@H](C(C)=O)[C@H](C=1[*:1])c1cccc(c1)[N+](=O)[O-]
COc1ccc(NC2=C(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(cc1)NC1C[C@](C)(O)[C@H](C(C)=O)[C@@H](C=1C(C)=O)[*:1]
COc1ccc(NC2=C(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 CC(=O)[*:1] COc1ccc(cc1)NC1C[C@](C)(O)[C@H]([C@H](C=1C(C)=O)c1cccc(c1)[N+](=O)[O-])[*:1]
COc1ccc(NC2=C(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 COc1ccc(cc1)[*:1] CC(=O)C1=C(C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1cccc(c1)[N+](=O)[O-])N[*:1]
COc1ccc(NC2=C(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)NC1C[C@](C)(O)[C@H](C(C)=O)[C@H](C=1C(C)=O)c1cccc(c1)[*:1]
COc1ccc(NC2=C(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 COc1ccc(cc1)N[*:1] CC(=O)C1=C(C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
CCOc1ccc(/N=C/c2cccc(OC)c2O)cc1CO CCO[*:1] COc1cccc(/C=N/c2ccc(c(c2)CO)[*:1])c1O
C=CCOC(=O)c1ccccc1SC[C@H]1CCCO1 C=CC[*:1] O=C(O[*:1])c1ccccc1SC[C@H]1CCCO1
C=CCOC(=O)c1ccccc1SC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C=CCOC(=O)c1ccccc1S[*:1]
C=CCOC(=O)c1ccccc1SC[C@H]1CCCO1 C=CCOC(=O)[*:1] c1ccc(c(c1)SC[C@H]1CCCO1)[*:1]
C=CCOC(=O)c1ccccc1SC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C=CCOC(=O)c1ccccc1SC[*:1]
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2)sc2c1CCCC2 NC(=O)[*:1] O=C(COC(=O)c1ccccc1)Nc1sc2CCCCc2c1[*:1]
NC(=O)c1c(NC(=O)COC(=O)c2ccccc2)sc2c1CCCC2 c1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)COC(=O)[*:1])sc2CCCCc21
COc1ccc(NC(=O)[C@H](C)Sc2cccc(F)c2)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)NC(=O)[C@H](C)S[*:1]
O=C(NCCc1cccs1)C(=O)Nc1cc(-n2cccc2)ccc1F c1csc(c1)C[*:1] O=C(NC[*:1])C(=O)Nc1cc(ccc1F)-n1cccc1
O=C(NCCc1cccs1)C(=O)Nc1cc(-n2cccc2)ccc1F c1ccn(c1)[*:1] O=C(NCCc1cccs1)C(=O)Nc1cc(ccc1F)[*:1]
O=C(NCCc1cccs1)C(=O)Nc1cc(-n2cccc2)ccc1F c1csc(c1)CC[*:1] O=C(Nc1cc(ccc1F)-n1cccc1)C(=O)N[*:1]
O=C(NCCc1cccs1)C(=O)Nc1cc(-n2cccc2)ccc1F c1csc(c1)[*:1] O=C(NCC[*:1])C(=O)Nc1cc(ccc1F)-n1cccc1
CC(C)(O)CC[NH2+]CC[NH+]1CCCC1 CC(C)(O)[*:1] C1CC[NH+](C1)CC[NH2+]CC[*:1]
CN1OC[C@@H](S(=O)(=O)N(C)Cc2ccco2)[C@H]1c1cccc(C(F)(F)F)c1 c1coc(c1)C[*:1] CN1OC[C@H]([C@H]1c1cccc(c1)C(F)(F)F)S(=O)(=O)N(C)[*:1]
CN1OC[C@@H](S(=O)(=O)N(C)Cc2ccco2)[C@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CN1OC[C@H]([C@H]1c1cccc(c1)[*:1])S(=O)(=O)N(C)Cc1ccco1
CN1OC[C@@H](S(=O)(=O)N(C)Cc2ccco2)[C@H]1c1cccc(C(F)(F)F)c1 c1coc(c1)[*:1] CN1OC[C@H]([C@H]1c1cccc(c1)C(F)(F)F)S(=O)(=O)N(C)C[*:1]
O=C([C@@H]1CCCS1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCS1)N(Cc1ccc(cc1)[N+](=O)[O-])[*:1]
O=C([C@@H]1CCCS1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 O=[N+]([O-])[*:1] O=C([C@@H]1CCCS1)N(Cc1ccc(cc1)[*:1])c1ccccc1
Cn1c(CCC(=O)N2CCN(c3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 c1ccc(cc1)[*:1] Cn1c(CCC(=O)N2CCN(CC2)[*:1])nc2cc(ccc21)S(=O)(=O)N1CCOCC1
Cn1c(CCC(=O)N2CCN(c3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 O=S(=O)(N1CCOCC1)[*:1] Cn1c(CCC(=O)N2CCN(CC2)c2ccccc2)nc2cc(ccc21)[*:1]
Nc1cc(-c2cc(Br)ccc2Cl)nn1-c1ccccc1 c1ccc(cc1)[*:1] Nc1cc(nn1[*:1])-c1cc(Br)ccc1Cl
Cc1cc(N(C)c2ccccc2)n2c(nc3ccccc32)c1C#N c1ccc(cc1)[*:1] Cc1cc(N(C)[*:1])n2c(nc3ccccc32)c1C#N
Cc1cc(N(C)c2ccccc2)n2c(nc3ccccc32)c1C#N CN(c1ccccc1)[*:1] Cc1cc(n2c(nc3ccccc32)c1C#N)[*:1]
CCc1ccc(N2C[C@H](c3nnc(NC(=O)C[C@@H](C)c4ccccc4)s3)CC2=O)cc1 CCc1ccc(cc1)[*:1] C[C@H](CC(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1
CCc1ccc(N2C[C@H](c3nnc(NC(=O)C[C@@H](C)c4ccccc4)s3)CC2=O)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)C[C@@H](C)[*:1])s1
CCc1ccc(N2C[C@H](c3nnc(NC(=O)C[C@@H](C)c4ccccc4)s3)CC2=O)cc1 C[C@@H](c1ccccc1)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)C[*:1])s1
CCc1ccc(N2C[C@H](c3nnc(NC(=O)C[C@@H](C)c4ccccc4)s3)CC2=O)cc1 C[C@H](C[*:1])c1ccccc1 CCc1ccc(cc1)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])s1
CCC[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccco2)c1C CCC[*:1] Cc1c(cccc1NC(=O)[C@H](C)[*:1])NC(=O)c1ccco1
CCC[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccco2)c1C c1coc(c1)[*:1] CCC[C@@H](C)C(=O)Nc1cccc(NC(=O)[*:1])c1C
CCC[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccco2)c1C CCC[C@@H](C)[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)c1ccco1
NC(=O)[C@H]1COCCN1CCOc1ccc(F)cc1 NC(=O)[*:1] Fc1ccc(cc1)OCCN1CCOC[C@@H]1[*:1]
O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc(c2)C(=O)[O-])C1=O)N[*:1]
O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 O=C(C[*:1])Nc1ccc(Cl)cc1 O=C([O-])c1cccc(c1)-n1cccc1/C=C1\SC(=O)N(C1=O)[*:1]
O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 O=C([O-])c1cccc(c1)[*:1] O=C(CN1C(=O)S/C(=C\c2cccn2[*:1])C1=O)Nc1ccc(Cl)cc1
O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 O=C([O-])[*:1] O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc(c2)[*:1])C1=O)Nc1ccc(Cl)cc1
O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] O=C([O-])c1cccc(c1)-n1cccc1/C=C1\SC(=O)N(C[*:1])C1=O
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCOC[C@@H](CO)C1 Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)N1CCOC[C@@H](CO)C1)[*:1]
CCc1nc(C(=O)NC2CCC2)n[nH]1 C1CC(C1)[*:1] CCc1nc(n[nH]1)C(=O)N[*:1]
Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1CCC(=O)[O-] O=C([O-])CC[*:1] Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1[*:1]
Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1CCC(=O)[O-] O=C([O-])C[*:1] Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1C[*:1]
Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1CCC(=O)[O-] CC(C)(C)OC(=O)N[*:1] Cc1nc2nc(C[*:1])nn2c(C)c1CCC(=O)[O-]
Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1CCC(=O)[O-] O=C([O-])[*:1] Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1CC[*:1]
Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1CCC(=O)[O-] CC(C)(C)[*:1] Cc1nc2nc(CNC(=O)O[*:1])nn2c(C)c1CCC(=O)[O-]
N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(N)=O NC(=O)[*:1] N#CC(=Cc1ccc(o1)-c1ccc(Br)cc1)[*:1]
COCc1cccc(CNC(=O)CN2CCS(=O)(=O)CC2)c1 COC[*:1] O=C(CN1CCS(=O)(=O)CC1)NCc1cccc(c1)[*:1]
C[C@@H](C(=O)c1ccc(F)c(F)c1)[S@](=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](C(=O)c1ccc(F)c(F)c1)[S@](=O)[*:1]
COC[C@@H](C)NC(=O)C[C@H]1Sc2ccccc2NC1=O COC[*:1] C[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)[*:1]
COC[C@@H](C)NC(=O)C[C@H]1Sc2ccccc2NC1=O COC[C@@H](C)[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)N[*:1]
O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(COc1ccc2CCCc2c1)NNC(=O)[*:1]
CNC(=O)c1cccc(CS[C@@H](C)C(=O)Nc2cc(F)ccc2C)c1 Cc1ccc(F)cc1[*:1] CNC(=O)c1cccc(c1)CS[C@@H](C)C(=O)N[*:1]
CNC(=O)c1cccc(CS[C@@H](C)C(=O)Nc2cc(F)ccc2C)c1 CNC(=O)[*:1] Cc1ccc(F)cc1NC(=O)[C@H](C)SCc1cccc(c1)[*:1]
C=C(C)COc1cccc(NC(=O)NCc2cn(-c3ccccc3)nn2)c1 C=C(C)CO[*:1] O=C(NCc1cn(nn1)-c1ccccc1)Nc1cccc(c1)[*:1]
C=C(C)COc1cccc(NC(=O)NCc2cn(-c3ccccc3)nn2)c1 c1ccc(cc1)[*:1] C=C(C)COc1cccc(c1)NC(=O)NCc1cn(nn1)[*:1]
C=C(C)COc1cccc(NC(=O)NCc2cn(-c3ccccc3)nn2)c1 C=C(C)[*:1] O=C(NCc1cn(nn1)-c1ccccc1)Nc1cccc(c1)OC[*:1]
C=C(C)COc1cccc(NC(=O)NCc2cn(-c3ccccc3)nn2)c1 C=C(C)C[*:1] O=C(NCc1cn(nn1)-c1ccccc1)Nc1cccc(c1)O[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)CSCC(N)=O c1csc(c1)C[*:1] C[C@H](N(C)C(=O)CSCC(N)=O)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)CSCC(N)=O c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)CSCC(N)=O
C[C@H](Cc1cccs1)N(C)C(=O)CSCC(N)=O NC(=O)CSC[*:1] C[C@H](Cc1cccs1)N(C)C(=O)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)CSCC(N)=O NC(=O)[*:1] C[C@H](Cc1cccs1)N(C)C(=O)CSC[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)CSCC(N)=O NC(=O)C[*:1] C[C@H](Cc1cccs1)N(C)C(=O)CS[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)CSCC(N)=O NC(=O)CS[*:1] C[C@H](Cc1cccs1)N(C)C(=O)C[*:1]
CCN(CC(C)(C)O)C(=O)c1ccc(C#CCO)cn1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)c1ccc(C#CCO)cn1
CCN(CC(C)(C)O)C(=O)c1ccc(C#CCO)cn1 CC(C)(O)C[*:1] CCN(C(=O)c1ccc(C#CCO)cn1)[*:1]
CCN(CC(C)(C)O)C(=O)c1ccc(C#CCO)cn1 OCC#C[*:1] CCN(CC(C)(C)O)C(=O)c1ccc(cn1)[*:1]
CCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N1CCCC[C@@H]1C
[NH3+]C[C@@H](Nc1ccc(Cl)c(Br)c1)c1cccc(C2CC2)c1 C1CC1[*:1] [NH3+]C[C@@H](Nc1ccc(Cl)c(Br)c1)c1cccc(c1)[*:1]
COc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CNC(=O)c1ccc(cc1)[*:1]
C[C@@H](CO)CSC[C@@](N)(C#N)c1ccccc1 C[C@@H](CO)C[*:1] N#C[C@](N)(CS[*:1])c1ccccc1
C[C@@H](CO)CSC[C@@](N)(C#N)c1ccccc1 C[C@@H](CO)[*:1] N#C[C@](N)(CSC[*:1])c1ccccc1
CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)ccc21 c1cc2OCCOc2cc1[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)NCCC(=O)N[*:1]
Cc1c(NC(=O)[C@@H](C)Sc2nncs2)cccc1[N+](=O)[O-] c1nnc(s1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)[C@@H](C)S[*:1]
Cc1c(NC(=O)[C@@H](C)Sc2nncs2)cccc1[N+](=O)[O-] c1nnc(S[*:1])s1 Cc1c(cccc1[N+](=O)[O-])NC(=O)[C@@H](C)[*:1]
Cc1c(NC(=O)[C@@H](C)Sc2nncs2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)[C@@H](C)Sc1nncs1
CCc1csc(-c2cn(CC(=O)NCc3ccc(F)cc3)cn2)n1 CCc1csc(n1)[*:1] O=C(Cn1cnc(c1)[*:1])NCc1ccc(F)cc1
CCc1csc(-c2cn(CC(=O)NCc3ccc(F)cc3)cn2)n1 Fc1ccc(cc1)[*:1] CCc1csc(n1)-c1cn(cn1)CC(=O)NC[*:1]
CCc1csc(-c2cn(CC(=O)NCc3ccc(F)cc3)cn2)n1 Fc1ccc(cc1)C[*:1] CCc1csc(n1)-c1cn(cn1)CC(=O)N[*:1]
CN(CC(C)(CO)CO)c1[nH+]c2ccccc2n1C CC(CO)(CO)[*:1] CN(C[*:1])c1[nH+]c2ccccc2n1C
CC(C)n1cnnc1SCC(=O)OCC1CCCCC1 C1CCC(CC1)[*:1] CC(C)n1cnnc1SCC(=O)OC[*:1]
CC(C)n1cnnc1SCC(=O)OCC1CCCCC1 CC(C)[*:1] O=C(CSc1nncn1[*:1])OCC1CCCCC1
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)N(C[NH+](C)C)c1ccccc12 CCOC(=O)[*:1] C[NH+](C)CN1C(=O)[C@]2(C3C(=O)CCCC=3OC(N)=C2[*:1])c2ccccc21
C[C@@H](SCc1ccccc1)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 c1ccc(cc1)C[*:1] C[C@@H](S[*:1])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1
C[C@@H](SCc1ccccc1)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 c1ccc(cc1)[*:1] C[C@@H](SC[*:1])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1
N#Cc1ccccc1CN1CCCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] N#Cc1ccccc1CN1CCCN(CC1)[*:1]
N#Cc1ccccc1CN1CCCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] N#Cc1ccccc1CN1CCCN(CC1)C[*:1]
CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] CN(C[C@H](O)c1ccc(F)cc1)C(=O)N[*:1]
CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccncc1 Fc1ccc(cc1)[*:1] CN(C[C@H](O)[*:1])C(=O)Nc1ccncc1
Cc1ccc([C@H]2C[C@H]2C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)s1 Cc1ccc(s1)[*:1] Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2C[C@@H]2[*:1])c1C
Cc1ccc([C@H]2C[C@H]2C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)s1 Cc1cccc(c1C)[*:1] Cc1ccc(s1)[C@H]1C[C@H]1C(=O)N1CSC[C@H]1C(=O)N[*:1]
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H](C)[C@@H](C)CO Clc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1C[NH2+][C@@H](C)[C@@H](C)CO
CN(C)C(=O)c1cccc(NC(=O)c2ccc(Br)cc2O)c1 CN(C)C(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(Br)cc1O
Cc1nn(CC(C)C)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] Cc1nn(CC(C)C)c(Cl)c1C(=O)O[C@H](C)C(=O)N[*:1]
Cc1nn(CC(C)C)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1cccnc1Cl CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1cccnc1Cl
Cc1nn(CC(C)C)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1cccnc1Cl CC(C)C[*:1] Cc1nn(c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1cccnc1Cl)[*:1]
CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1C[C@H]1C C[C@@H]1C[C@@H]1[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)N[*:1]
O=C(CNc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 Clc1ccc(cc1)N[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCC1
O=C(CNc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(CNc1ccc(Cl)cc1)Nc1cccc(c1)[*:1]
O=C(CNc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 Clc1ccc(cc1)[*:1] O=C(CN[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCC1
COc1cc(/C=N/Nc2ncnc3sc(-c4ccccc4)cc23)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(/C=N/Nc2ncnc3sc(cc23)[*:1])cc(OC)c1OC
C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 O=C1CCCN1[*:1] C[C@@H](Nc1ccc(cc1)[*:1])C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] C[C@@H](Nc1ccc(cc1)N1CCCC1=O)C(=O)Nc1cccc(c1)[*:1]
CCOc1cccc([C@@H](C)NC(=O)N2c3ccccc3C[C@@H]2C)c1 CCO[*:1] C[C@H]1Cc2ccccc2N1C(=O)N[C@H](C)c1cccc(c1)[*:1]
C[C@@H](OC(=O)c1ccc(C(=O)N(C)C)cc1)c1nccs1 c1csc(n1)[*:1] C[C@@H](OC(=O)c1ccc(cc1)C(=O)N(C)C)[*:1]
C[C@@H](OC(=O)c1ccc(C(=O)N(C)C)cc1)c1nccs1 CN(C)C(=O)[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])c1nccs1
C[C@H]([NH3+])[C@@H](C)c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] C[C@H]([NH3+])[C@@H](C)c1cccc(c1)O[*:1]
C[C@H]([NH3+])[C@@H](C)c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] C[C@H]([NH3+])[C@@H](C)c1cccc(c1)[*:1]
C[C@H]1CCC[C@@H](NC(=O)COCC(F)(F)F)C1 FC(F)(F)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)COC[*:1]
C[C@H]1CCC[C@@H](NC(=O)COCC(F)(F)F)C1 FC(F)(F)C[*:1] C[C@H]1CCC[C@H](C1)NC(=O)CO[*:1]
CC[NH+](CCN1CCNC1=O)CC1CC[NH2+]CC1 O=C1NCCN1[*:1] CC[NH+](CC[*:1])CC1CC[NH2+]CC1
Cc1nn(C)c(C)c1CC(=O)NCc1cccc(OCC(F)F)n1 FC(F)CO[*:1] Cc1nn(C)c(C)c1CC(=O)NCc1cccc(n1)[*:1]
Cc1nn(C)c(C)c1CC(=O)NCc1cccc(OCC(F)F)n1 FC(F)[*:1] Cc1nn(C)c(C)c1CC(=O)NCc1cccc(n1)OC[*:1]
Cc1nn(C)c(C)c1CC(=O)NCc1cccc(OCC(F)F)n1 Cc1nn(C)c(C)c1[*:1] O=C(C[*:1])NCc1cccc(n1)OCC(F)F
Cc1nn(C)c(C)c1CC(=O)NCc1cccc(OCC(F)F)n1 FC(F)C[*:1] Cc1nn(C)c(C)c1CC(=O)NCc1cccc(n1)O[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)C3CCCCC3)CC2)cc1 C1CCC(CC1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N(C)[*:1]
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)C3CCCCC3)CC2)cc1 CC(C)c1ccc(cc1)[*:1] CN(C(=O)C1CCN(CC1)S(=O)(=O)[*:1])C1CCCCC1
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)C3CCCCC3)CC2)cc1 CC(C)[*:1] CN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1])C1CCCCC1
CCCN(CCC)C(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 CCC[*:1] CCCN(C(=O)CN1CCN(CC1)C(=O)[C@@H]1C[C@H]1C)[*:1]
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)c1 O=C([O-])[*:1] Cc1cccc(c1)O[C@H](C)C(=O)NNC(=O)[C@@H]1[C@@H]([C@H]2CC[C@@H]1C2)[*:1]
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)NNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2)[*:1]
Cc1cccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2
COC(=O)c1cc(Cl)c2cc(C)ccc2n1 COC(=O)[*:1] Cc1ccc2nc(cc(Cl)c2c1)[*:1]
CCc1ccc(NC(=O)C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 CCc1ccc(cc1)[*:1] O=C(N[C@@H]1CCSc2ccc(F)cc21)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@](O)(c2cccs2)C2CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)NC(=O)C(=O)NC[C@@](O)(c1cccs1)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@](O)(c2cccs2)C2CC2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)NC(=O)C(=O)NC[C@@](O)(C1CC1)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@](O)(c2cccs2)C2CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(NC[C@@](O)(c1cccs1)C1CC1)C(=O)N[*:1]
Cc1cc(C[NH2+]CCC(=O)NC2CC2)ccc1Br C1CC1[*:1] Cc1cc(ccc1Br)C[NH2+]CCC(=O)N[*:1]
Cc1cc(C[NH2+]CCC(=O)NC2CC2)ccc1Br O=C(NC1CC1)[*:1] Cc1cc(ccc1Br)C[NH2+]CC[*:1]
Cc1c(C(=O)NNC(=O)NC[C@H]2CCCO2)oc2c(Cl)cccc12 C1CO[C@H](C1)[*:1] Cc1c(oc2c(Cl)cccc12)C(=O)NNC(=O)NC[*:1]
Cc1c(C(=O)NNC(=O)NC[C@H]2CCCO2)oc2c(Cl)cccc12 C1CO[C@H](C1)C[*:1] Cc1c(oc2c(Cl)cccc12)C(=O)NNC(=O)N[*:1]
CC[C@H](C)C[C@H](C)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O CC[C@H](C)C[C@H](C)[*:1] Cn1cc(cn1)N1CC[C@@H](NC(=O)N[*:1])C1=O
CC[C@H](C)C[C@H](C)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O CC[C@H](C)[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H]1CCN(C1=O)c1cnn(C)c1
CC[C@H](C)C[C@H](C)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O Cn1cc(cn1)[*:1] CC[C@H](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C1=O)[*:1]
CC[C@H](C)C[C@H](C)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O CC[C@H](C)C[*:1] C[C@H](NC(=O)N[C@@H]1CCN(C1=O)c1cnn(C)c1)[*:1]
COc1cc(CC[NH2+][C@@H](C)C2(C)CC2)ccc1O CC1(CC1)[*:1] COc1cc(ccc1O)CC[NH2+][C@@H](C)[*:1]
C[C@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])[C@@H](c1cccs1)N1CCN(CC1)c1ccc(F)cc1
C[C@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 O=C(N[*:1])c1ccc(F)cc1 C[C@H]([C@@H](c1cccs1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
C[C@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(CC1)[*:1]
C[C@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 c1csc(c1)[*:1] C[C@H](NC(=O)c1ccc(F)cc1)[C@@H](N1CCN(CC1)c1ccc(F)cc1)[*:1]
COc1ccccc1C1CCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC1 COc1ccccc1[*:1] Cc1nc(cs1)-c1ccc(s1)S(=O)(=O)N1CCC(CC1)[*:1]
COc1ccccc1C1CCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC1 Cc1nc(cs1)[*:1] COc1ccccc1C1CCN(CC1)S(=O)(=O)c1ccc(s1)[*:1]
Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 Fc1cccc(c1)[*:1] Cc1ccc2c(=O)c(cn(CC(=O)Nc3ccc(F)cc3)c2n1)C(=O)N[*:1]
Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 O=C(C[*:1])Nc1ccc(F)cc1 Cc1ccc2c(=O)c(cn(c2n1)[*:1])C(=O)Nc1cccc(F)c1
Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 Fc1ccc(cc1)[*:1] Cc1ccc2c(=O)c(cn(CC(=O)N[*:1])c2n1)C(=O)Nc1cccc(F)c1
Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 O=C(Nc1cccc(F)c1)[*:1] Cc1ccc2c(=O)c(cn(CC(=O)Nc3ccc(F)cc3)c2n1)[*:1]
Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccc2c(=O)c(cn(C[*:1])c2n1)C(=O)Nc1cccc(F)c1
CC[C@H](C)CN(CC)C(=O)c1cccc(NC)n1 CC[C@H](C)C[*:1] CCN(C(=O)c1cccc(n1)NC)[*:1]
CC[C@H](C)CN(CC)C(=O)c1cccc(NC)n1 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)c1cccc(n1)NC
[O-]c1on[n+](-c2ccccc2)c1C[NH2+]Cc1ccco1 c1coc(c1)[*:1] [O-]c1on[n+](-c2ccccc2)c1C[NH2+]C[*:1]
[O-]c1on[n+](-c2ccccc2)c1C[NH2+]Cc1ccco1 c1coc(c1)C[*:1] [O-]c1on[n+](-c2ccccc2)c1C[NH2+][*:1]
[O-]c1on[n+](-c2ccccc2)c1C[NH2+]Cc1ccco1 c1ccc(cc1)[*:1] [O-]c1on[n+](c1C[NH2+]Cc1ccco1)[*:1]
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1 O=C([O-])[*:1] O=C(Nc1ccc(Br)c(Cl)c1)[C@H]1CCCC[C@@H]1[*:1]
O=[N+]([O-])c1cc2c(cc1[C@H]1CCC[NH2+]1)CCCC2 O=[N+]([O-])[*:1] c1c2CCCCc2cc(c1[C@H]1CCC[NH2+]1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccc(cc1)[*:1]
CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)COC(=O)c1ccc(cc1)N1C(=O)CCC1=O
CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 Fc1cccc(Cl)c1C[*:1] CN(C(=O)COC(=O)c1ccc(cc1)N1C(=O)CCC1=O)[*:1]
O=Cc1c(C2CC2)oc2ccc(OCc3ccc(Cl)nc3)cc12 C1CC1[*:1] O=Cc1c(oc2ccc(cc12)OCc1ccc(Cl)nc1)[*:1]
O=Cc1c(C2CC2)oc2ccc(OCc3ccc(Cl)nc3)cc12 Clc1ccc(cn1)[*:1] O=Cc1c(oc2ccc(cc12)OC[*:1])C1CC1
CC[C@@H](C)CN(CC)C(=O)N[C@H]1CCCn2c(C)nnc21 CC[C@@H](C)[*:1] CCN(C[*:1])C(=O)N[C@H]1CCCn2c(C)nnc21
CC[C@@H](C)CN(CC)C(=O)N[C@H]1CCCn2c(C)nnc21 CC[C@@H](C)C[*:1] CCN(C(=O)N[C@H]1CCCn2c(C)nnc21)[*:1]
CC[C@H](C(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCN(CC1)c1ccc(nn1)-c1ccccn1)[*:1]
CC[C@H](C(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1)c1ccccc1 c1ccc(nc1)[*:1] CC[C@H](C(=O)N1CCN(CC1)c1ccc(nn1)[*:1])c1ccccc1
Cc1ccc([C@H](CNC(=O)c2ccc(C3SCCS3)cc2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@H](CNC(=O)c1ccc(cc1)C1SCCS1)[*:1]
Cc1ccc([C@H](CNC(=O)c2ccc(C3SCCS3)cc2)N2CCOCC2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1ccc(cc1)C1SCCS1
Cc1ccc([C@H](CNC(=O)c2ccc(C3SCCS3)cc2)N2CCOCC2)o1 C1CSC(S1)[*:1] Cc1ccc(o1)[C@H](CNC(=O)c1ccc(cc1)[*:1])N1CCOCC1
Cc1cnc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cn1 Cc1cnc(cn1)[*:1] C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1ccc2nc(oc2c1)[*:1]
Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)cc1[N+](=O)[O-] c1cc(ccn1)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)[NH2+][C@H](C)c1cccc(c1)[*:1]
Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@H](C)[NH2+][C@H](C)c1cccc(c1)-c1ccncc1
CN1CC(=O)N(CCCC(=O)N2CC[C@@H]2c2ccccc2)C1=O c1ccc(cc1)[*:1] CN1CC(=O)N(CCCC(=O)N2CC[C@H]2[*:1])C1=O
CC[C@H](CC(=O)N1CCC[C@H]1CN1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CC(=O)N1CCC[C@H]1CN1CCOCC1)[*:1]
CC[C@H](CC(=O)N1CCC[C@H]1CN1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] CC[C@H](CC(=O)N1CCC[C@H]1C[*:1])c1ccccc1
CC[C@H](CC(=O)N1CCC[C@H]1CN1CCOCC1)c1ccccc1 C1CN(CCO1)C[*:1] CC[C@H](CC(=O)N1CCC[C@@H]1[*:1])c1ccccc1
CCCCn1nc(C)c(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1Cl CCCC[*:1] Cc1nn(c(Cl)c1C[NH2+][C@H]1CCC[C@H](C1)S(C)(=O)=O)[*:1]
CCCCn1nc(C)c(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1Cl CS(=O)(=O)[*:1] CCCCn1nc(C)c(C[NH2+][C@H]2CCC[C@@H](C2)[*:1])c1Cl
CCCCn1nc(C)c(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1Cl CCC[*:1] Cc1nn(C[*:1])c(Cl)c1C[NH2+][C@H]1CCC[C@H](C1)S(C)(=O)=O
CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Cl)c[nH]1 Clc1c[nH]c(c1)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)C(=O)[*:1]
Cc1noc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 Cc1noc(n1)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCC[C@H]1[*:1]
C[C@H]1C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] C[C@H]1C(=O)NCCN1C(=O)c1ccc(cc1)[*:1]
N#CCN1CCC(CNC(=O)c2cccc(-n3ccnc3)c2)CC1 c1cn(cn1)[*:1] N#CCN1CCC(CC1)CNC(=O)c1cccc(c1)[*:1]
N#CCN1CCC(CNC(=O)c2cccc(-n3ccnc3)c2)CC1 N#CC[*:1] O=C(NCC1CCN(CC1)[*:1])c1cccc(c1)-n1ccnc1
Cn1nc(C(=O)NCCCn2cccn2)c(=O)c2cc(F)ccc21 c1cnn(c1)[*:1] Cn1nc(C(=O)NCCC[*:1])c(=O)c2cc(F)ccc21
Cn1nc(C(=O)NCCCn2cccn2)c(=O)c2cc(F)ccc21 c1cnn(c1)CCC[*:1] Cn1nc(C(=O)N[*:1])c(=O)c2cc(F)ccc21
Cn1nc(C(=O)NCCCn2cccn2)c(=O)c2cc(F)ccc21 c1cnn(c1)CC[*:1] Cn1nc(C(=O)NC[*:1])c(=O)c2cc(F)ccc21
Cn1nc(C(=O)NCCCn2cccn2)c(=O)c2cc(F)ccc21 c1cnn(c1)C[*:1] Cn1nc(C(=O)NCC[*:1])c(=O)c2cc(F)ccc21
Cc1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3C)CC1)C(=O)CO2 Cc1ccccc1[*:1] Cc1ccc2OCC(=O)N(CC(=O)N3CCN(CC3)[*:1])c2c1
C[C@H]1OCC[C@@H]1c1cnc(CC[NH2+]C2CC2)o1 C1CC1[*:1] C[C@H]1OCC[C@@H]1c1cnc(CC[NH2+][*:1])o1
COc1ccc(C)cc1N1C[C@H](C(=O)N(C)c2ncccc2OC)CC1=O COc1cccnc1[*:1] COc1ccc(C)cc1N1C[C@@H](CC1=O)C(=O)N(C)[*:1]
COc1ccc(C)cc1N1C[C@H](C(=O)N(C)c2ncccc2OC)CC1=O COc1ccc(C)cc1[*:1] COc1cccnc1N(C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)CNC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1cccc(C)c1)C(=O)CNC(=O)C[*:1]
CCN(Cc1cccc(C)c1)C(=O)CNC(=O)Cc1ccccc1 Cc1cccc(c1)C[*:1] CCN(C(=O)CNC(=O)Cc1ccccc1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)CNC(=O)Cc1ccccc1 Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)CNC(=O)Cc1ccccc1
CCN(Cc1cccc(C)c1)C(=O)CNC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] CCN(Cc1cccc(C)c1)C(=O)CNC(=O)[*:1]
CCCNC(=O)OCC1([NH3+])CCCC1 CCC[*:1] [NH3+]C1(CCCC1)COC(=O)N[*:1]
Cc1cc(C)cc(N2/C(=N/C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 CC(C)[*:1] Cc1cc(C)cc(c1)N1/C(=N/C(=O)C[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
Cc1cc(C)cc(N2/C(=N/C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 Cc1cc(C)cc(c1)[*:1] CC(C)CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1cc(C)cc(N2/C(=N/C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 CC(C)C[*:1] Cc1cc(C)cc(c1)N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
O=C(Cn1cc(Br)cn1)NCc1ccccc1F Brc1cnn(c1)[*:1] O=C(C[*:1])NCc1ccccc1F
CC[C@](C)(O)CNC(=O)c1ccc(Br)cc1N CC[C@](C)(O)[*:1] Nc1cc(Br)ccc1C(=O)NC[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc(-c2csnn2)cc1)c1ccc(Cl)s1 c1snnc1[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)C(=O)Nc1ccc(-c2csnn2)cc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)-c1csnn1)[*:1]
CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 Fc1ccc(cc1)[*:1] CC(C)C(=O)N1CCC(CC1)C(=O)Nc1nc(cs1)[*:1]
CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 CC(C)[*:1] O=C(Nc1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)C(=O)[*:1]
CSCCC[NH2+][C@@H](c1cccnc1)C(C)C CSC[*:1] CC(C)[C@@H]([NH2+]CC[*:1])c1cccnc1
CSCCC[NH2+][C@@H](c1cccnc1)C(C)C CSCC[*:1] CC(C)[C@@H]([NH2+]C[*:1])c1cccnc1
CSCCC[NH2+][C@@H](c1cccnc1)C(C)C CSCCC[*:1] CC(C)[C@@H]([NH2+][*:1])c1cccnc1
CSCCC[NH2+][C@@H](c1cccnc1)C(C)C CC(C)[*:1] CSCCC[NH2+][C@@H](c1cccnc1)[*:1]
CSc1ncccc1C(=O)N(CC1CC1)C(C)C C1CC1C[*:1] CSc1ncccc1C(=O)N(C(C)C)[*:1]
CSc1ncccc1C(=O)N(CC1CC1)C(C)C CC(C)[*:1] CSc1ncccc1C(=O)N(CC1CC1)[*:1]
CSc1ncccc1C(=O)N(CC1CC1)C(C)C C1CC1[*:1] CSc1ncccc1C(=O)N(C[*:1])C(C)C
C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)C[C@H](O)c1c(F)cccc1F Fc1ccc(cc1F)[*:1] C[C@H](S(=O)(=O)C[C@H](O)c1c(F)cccc1F)[*:1]
C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)C[C@H](O)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)C[C@H](O)[*:1]
Cc1cccc(C(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c1O Cc1cccc(c1O)[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1C[C@H]1CCCO1
Cn1cnc(CNC(=O)NCCCOc2ccc3ccccc3c2)n1 Cn1cnc(n1)[*:1] O=C(NCCCOc1ccc2ccccc2c1)NC[*:1]
Cn1cnc(CNC(=O)NCCCOc2ccc3ccccc3c2)n1 Cn1cnc(C[*:1])n1 O=C(NCCCOc1ccc2ccccc2c1)N[*:1]
CNC(=O)CC1CCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1 CNC(=O)[*:1] Cn1c(C(=O)N2CCC(CC2)C[*:1])c(Cl)c2ccccc21
CNC(=O)CC1CCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1 CNC(=O)C[*:1] Cn1c(C(=O)N2CCC(CC2)[*:1])c(Cl)c2ccccc21
C=CCN1C(=O)OC2(CCCCC2)[C@@]1(C)O C=CC[*:1] C[C@]1(O)N(C(=O)OC12CCCCC2)[*:1]
Cc1ccc(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cn1 Clc1cccc(c1)[*:1] Cc1ccc(cn1)-c1nc(no1)C(C)(C)NC(=O)[*:1]
Cc1ccc(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)cn1 Cc1ccc(cn1)[*:1] CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(n1)[*:1]
Cc1nn(C)c(C)c1CC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CC(=O)NCc1ccc(o1)[*:1]
Cc1nn(C)c(C)c1CC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 Cc1nn(C)c(C)c1[*:1] O=C(C[*:1])NCc1ccc(o1)-c1ccc(Br)cc1
CC(=O)Nc1ccc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 O=C(N1CCCC1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)OCc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 CC(=O)N[*:1] O=C(OCc1ccc(cc1)C(=O)N1CCCC1)c1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccc2c(c1)nnn2CCNC(=O)NC[C@@H]1CCCO1 CC(C)NC(=O)[*:1] O=C(NCCn1nnc2cc(ccc21)[*:1])NC[C@@H]1CCCO1
CC(C)NC(=O)c1ccc2c(c1)nnn2CCNC(=O)NC[C@@H]1CCCO1 CC(C)[*:1] O=C(NCCn1nnc2cc(ccc21)C(=O)N[*:1])NC[C@@H]1CCCO1
CC(=O)c1ccc(Br)cc1O CC(=O)[*:1] Oc1cc(Br)ccc1[*:1]
CN[C@]1(C#N)CC[C@H](OCCOC)C1 COC[*:1] CN[C@]1(C#N)CC[C@@H](C1)OC[*:1]
CN[C@]1(C#N)CC[C@H](OCCOC)C1 COCC[*:1] CN[C@]1(C#N)CC[C@@H](C1)O[*:1]
N#CCc1noc2cc([N+](=O)[O-])ccc12 N#CC[*:1] O=[N+]([O-])c1ccc2c(noc2c1)[*:1]
N#CCc1noc2cc([N+](=O)[O-])ccc12 O=[N+]([O-])[*:1] N#CCc1noc2cc(ccc12)[*:1]
Cc1cccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2)c1 Cc1cccc(c1)[*:1] O=S(=O)(N1CCS[C@H]1c1ccc(Cl)cc1)[*:1]
Cc1cccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)N1CCS[C@@H]1[*:1]
CN(C)c1ncccc1N(C)C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 CN(C)[*:1] CN(C(=O)[C@H]1CC(=NO1)c1c(F)cccc1F)c1cccnc1[*:1]
CN(C)c1ncccc1N(C)C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 Fc1cccc(F)c1[*:1] CN(C)c1ncccc1N(C)C(=O)[C@H]1CC(=NO1)[*:1]
Cc1ccc(-c2csc3ncn(CC(=O)N4CCOCC4)c(=O)c23)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1cnc2scc(c2c1=O)[*:1])N1CCOCC1
Cc1ccc(-c2csc3ncn(CC(=O)N4CCOCC4)c(=O)c23)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)-c1csc2ncn(C[*:1])c(=O)c12
Cc1nc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc(Nc2ccccn2)[nH+]1 c1ccc(nc1)[*:1] Cc1nc(cc(N[*:1])[nH+]1)N1CCN(CC1)C(=O)c1cccc(F)c1
Cc1nc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc(Nc2ccccn2)[nH+]1 c1ccc(nc1)N[*:1] Cc1nc(cc([nH+]1)[*:1])N1CCN(CC1)C(=O)c1cccc(F)c1
Cc1nc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc(Nc2ccccn2)[nH+]1 Fc1cccc(c1)[*:1] Cc1nc(cc(Nc2ccccn2)[nH+]1)N1CCN(CC1)C(=O)[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)Oc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)O[*:1]
CCn1c(SCCn2cc(C#N)cn2)nnc1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCn1c(nnc1[*:1])SCCn1cc(C#N)cn1
CCn1c(SCCn2cc(C#N)cn2)nnc1-c1cccc(Cl)c1 N#Cc1cnn(c1)[*:1] CCn1c(nnc1-c1cccc(Cl)c1)SCC[*:1]
CCn1c(SCCn2cc(C#N)cn2)nnc1-c1cccc(Cl)c1 N#Cc1cnn(c1)C[*:1] CCn1c(nnc1-c1cccc(Cl)c1)SC[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 Cc1noc(C)c1C[*:1] O=C(Nc1nc(cs1)-c1cc(Cl)ccc1Cl)c1cccnc1S[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 Clc1ccc(Cl)c(c1)[*:1] Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc(cs1)[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 Cc1noc(C)c1[*:1] O=C(Nc1nc(cs1)-c1cc(Cl)ccc1Cl)c1cccnc1SC[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 Cc1noc(C)c1CS[*:1] O=C(Nc1nc(cs1)-c1cc(Cl)ccc1Cl)c1cccnc1[*:1]
Cc1ccc(CN(Cc2ccncc2)Cc2nccs2)s1 c1cc(ccn1)C[*:1] Cc1ccc(CN(Cc2nccs2)[*:1])s1
Cc1ccc(CN(Cc2ccncc2)Cc2nccs2)s1 c1cc(ccn1)[*:1] Cc1ccc(CN(Cc2nccs2)C[*:1])s1
Cc1ccc(CN(Cc2ccncc2)Cc2nccs2)s1 Cc1ccc(C[*:1])s1 c1cc(ccn1)CN(Cc1nccs1)[*:1]
Cc1ccc(CN(Cc2ccncc2)Cc2nccs2)s1 c1csc(C[*:1])n1 Cc1ccc(CN(Cc2ccncc2)[*:1])s1
Cc1ccc(CN(Cc2ccncc2)Cc2nccs2)s1 c1csc(n1)[*:1] Cc1ccc(CN(Cc2ccncc2)C[*:1])s1
Cc1ccc(CN(Cc2ccncc2)Cc2nccs2)s1 Cc1ccc(s1)[*:1] c1cc(ccn1)CN(Cc1nccs1)C[*:1]
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 c1coc(c1)[*:1] O=C(C=C[*:1])C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 C1CN(CCO1)CC[*:1] O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N([C@H]1c1cccs1)[*:1]
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 O=C(/C=C/c1ccco1)[*:1] O=C1C([O-])=C([C@H](c2cccs2)N1CCN1CCOCC1)[*:1]
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1[*:1]
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 C1CN(CCO1)[*:1] O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1cccs1
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 C(=C[*:1])c1ccco1 O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccs2)N1CCN1CCOCC1
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 C1CN(CCO1)C[*:1] O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccs1
Nn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCn1nnc2ccccc2c1=O
O=C(N1CC[C@H](O)C1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2 c1ccc(cc1)C[*:1] O=C(N1CC[C@H](O)C1)[C@]1(C[C@H]2CC[C@@H]1C2)[*:1]
O=C(N1CC[C@H](O)C1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2 c1ccc(cc1)[*:1] O=C(N1CC[C@H](O)C1)[C@]1(C[C@H]2CC[C@@H]1C2)C[*:1]
CCC1=NN(C(=O)c2ccncc2)[C@](O)(c2ccc(Cl)cc2)C1 c1cc(ccn1)[*:1] CCC1C[C@@](O)(c2ccc(Cl)cc2)N(N=1)C(=O)[*:1]
CCC1=NN(C(=O)c2ccncc2)[C@](O)(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCC1C[C@@](O)(N(N=1)C(=O)c1ccncc1)[*:1]
CCN(C)C(=O)CCOc1ccccc1C(N)=O NC(=O)[*:1] CCN(C)C(=O)CCOc1ccccc1[*:1]
CCN(C)C(=O)CCOc1ccccc1C(N)=O CCN(C)C(=O)[*:1] NC(=O)c1ccccc1OCC[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2ccco2)on1 c1coc(c1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(on1)[*:1]
COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1cc(OC)ccc1OC COc1ccc(OC)c(c1)[*:1] COCc1nn2c(N=C(O)C[C@@H]2C(=O)N[*:1])c1-c1ccccc1
COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1cc(OC)ccc1OC COC[*:1] COc1ccc(OC)c(c1)NC(=O)[C@H]1CC(O)=Nc2c(-c3ccccc3)c(nn21)[*:1]
COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1cc(OC)ccc1OC c1ccc(cc1)[*:1] COCc1nn2c(N=C(O)C[C@@H]2C(=O)Nc2cc(ccc2OC)OC)c1[*:1]
COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccn3cnnc23)cc1F COc1ccc(cc1F)C[*:1] O=S(=O)(c1cccn2cnnc12)N(c1ccc(F)cc1)[*:1]
COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccn3cnnc23)cc1F COc1ccc(cc1F)[*:1] O=S(=O)(c1cccn2cnnc12)N(C[*:1])c1ccc(F)cc1
COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccn3cnnc23)cc1F Fc1ccc(cc1)[*:1] COc1ccc(cc1F)CN(S(=O)(=O)c1cccn2cnnc12)[*:1]
CCC(CC)CNC(=O)NC[C@@H]1CCC[C@H]1O CCC(CC)[*:1] O=C(NC[C@@H]1CCC[C@H]1O)NC[*:1]
O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccc(Cl)cc1)NC[C@H]1CCCO1 O=C(NC[C@H]1CCCO1)[*:1] Clc1ccc(cc1)S[C@H]1[NH+]=c2ccccc2=C1C[*:1]
O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccc(Cl)cc1)NC[C@H]1CCCO1 Clc1ccc(cc1)[*:1] O=C(CC1=c2ccccc2=[NH+][C@@H]1S[*:1])NC[C@H]1CCCO1
O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccc(Cl)cc1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccc(Cl)cc1)NC[*:1]
O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccc(Cl)cc1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccc(Cl)cc1)N[*:1]
O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccc(Cl)cc1)NC[C@H]1CCCO1 Clc1ccc(cc1)S[*:1] O=C(CC1=c2ccccc2=[NH+][C@H]1[*:1])NC[C@H]1CCCO1
CCN(Cc1cccc(F)c1)C(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 Fc1cccc(c1)[*:1] CCN(C[*:1])C(=O)CN1CCN(CC1)C(=O)[C@@H]1C[C@@H]1C
CCN(Cc1cccc(F)c1)C(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 Fc1cccc(c1)C[*:1] CCN(C(=O)CN1CCN(CC1)C(=O)[C@@H]1C[C@@H]1C)[*:1]
COC(=O)CCNC(=O)C1(Sc2ccc(C)cc2)CCCC1 Cc1ccc(cc1)[*:1] COC(=O)CCNC(=O)C1(CCCC1)S[*:1]
COC(=O)CCNC(=O)C1(Sc2ccc(C)cc2)CCCC1 COC(=O)CC[*:1] Cc1ccc(cc1)SC1(CCCC1)C(=O)N[*:1]
COC(=O)CCNC(=O)C1(Sc2ccc(C)cc2)CCCC1 COC(=O)C[*:1] Cc1ccc(cc1)SC1(CCCC1)C(=O)NC[*:1]
COC(=O)CCNC(=O)C1(Sc2ccc(C)cc2)CCCC1 COC(=O)[*:1] Cc1ccc(cc1)SC1(CCCC1)C(=O)NCC[*:1]
COc1ccccc1N1C(N)=[NH+]C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1N1C(N)=[NH+]C[C@H]1[*:1]
COc1ccc(S(=O)(=O)N[C@H](C)c2cccc(-n3cncn3)c2)cc1 c1ncn(n1)[*:1] COc1ccc(cc1)S(=O)(=O)N[C@H](C)c1cccc(c1)[*:1]
COc1ccc(S(=O)(=O)N[C@H](C)c2cccc(-n3cncn3)c2)cc1 COc1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1cccc(c1)-n1cncn1
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCC(=O)N1CCC(=N1)c1ccccc1)NC[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(=N1)c1ccccc1)NCC[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(=N1)[*:1])NCCc1ccccc1
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(CCC(=O)N1CCC(=N1)c1ccccc1)N[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)CNC(=O)c2ccoc2C)o1 Cc1ccc(o1)[*:1] Cc1occc1C(=O)NCC(=O)N1CCSC[C@H]1[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)CNC(=O)c2ccoc2C)o1 Cc1occc1[*:1] Cc1ccc(o1)[C@@H]1CSCCN1C(=O)CNC(=O)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3OC(C)C)n2)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)c1cc(Cl)ccc1O[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3OC(C)C)n2)cc1 CC(=O)N[*:1] CC(C)Oc1ccc(Cl)cc1C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3OC(C)C)n2)cc1 CC(C)O[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)NC(=O)c1cc(Cl)ccc1[*:1]
O=C(CCCc1ccccn1)N[C@@H](c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] O=C(CCCc1ccccn1)N[C@@H](c1ccc(F)cc1)[*:1]
O=C(CCCc1ccccn1)N[C@@H](c1ccc(F)cc1)C1CCCC1 c1ccc(nc1)[*:1] O=C(CCC[*:1])N[C@@H](c1ccc(F)cc1)C1CCCC1
O=C(CCCc1ccccn1)N[C@@H](c1ccc(F)cc1)C1CCCC1 Fc1ccc(cc1)[*:1] O=C(CCCc1ccccn1)N[C@@H](C1CCCC1)[*:1]
O=C(CCCc1ccccn1)N[C@@H](c1ccc(F)cc1)C1CCCC1 c1ccc(C[*:1])nc1 O=C(CC[*:1])N[C@@H](c1ccc(F)cc1)C1CCCC1
O=C(CCCc1ccccn1)N[C@@H](c1ccc(F)cc1)C1CCCC1 c1ccc(CC[*:1])nc1 O=C(C[*:1])N[C@@H](c1ccc(F)cc1)C1CCCC1
CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)n(C)c1C O=C(N1CCCC1)[*:1] CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(s2)[*:1])n(C)c1C
CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)n(C)c1C CCc1ccccc1[*:1] Cc1nc(sc1C(=O)N1CCCC1)-c1cc(c(C)n1C)S(=O)(=O)[N-][*:1]
COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3oc(C)nc3c2)C1 COc1ccccc1[*:1] Cc1nc2cc(ccc2o1)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1cccc(CN2C(=O)[C@@]3(SCCN3C(=O)Nc3ccccc3)c3cc(F)ccc32)c1 Cc1cccc(c1)C[*:1] O=C(Nc1ccccc1)N1CCS[C@@]12C(=O)N(c1ccc(F)cc12)[*:1]
Cc1cccc(CN2C(=O)[C@@]3(SCCN3C(=O)Nc3ccccc3)c3cc(F)ccc32)c1 Cc1cccc(c1)[*:1] O=C(Nc1ccccc1)N1CCS[C@@]12C(=O)N(C[*:1])c1ccc(F)cc12
Cc1cccc(CN2C(=O)[C@@]3(SCCN3C(=O)Nc3ccccc3)c3cc(F)ccc32)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CN1C(=O)[C@@]2(SCCN2C(=O)N[*:1])c2cc(F)ccc21
COC[C@@H](C)Oc1cncc(C[NH2+]C(C)C)n1 CC(C)[*:1] COC[C@@H](C)Oc1cncc(C[NH2+][*:1])n1
COC[C@@H](C)Oc1cncc(C[NH2+]C(C)C)n1 COC[*:1] CC(C)[NH2+]Cc1cncc(n1)O[C@H](C)[*:1]
COC[C@@H](C)Oc1cncc(C[NH2+]C(C)C)n1 COC[C@@H](C)[*:1] CC(C)[NH2+]Cc1cncc(n1)O[*:1]
CCc1nnc(Cn2cnc(C3CCC3)cc2=O)o1 C1CC(C1)[*:1] CCc1nnc(Cn2cnc(cc2=O)[*:1])o1
CNc1ccc(C[NH+]2CCc3c(cccc3N3CCOC3=O)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])C[NH+]1CCc2c(cccc2N2CCOC2=O)C1
CNc1ccc(C[NH+]2CCc3c(cccc3N3CCOC3=O)C2)cc1[N+](=O)[O-] O=C1OCCN1[*:1] CNc1ccc(cc1[N+](=O)[O-])C[NH+]1CCc2c(cccc2[*:1])C1
CCN(CC)c1ncc(CN[C@H]2CC[C@H]([NH+](C)C)C2)s1 CCN(CC)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NCc1cnc(s1)[*:1]
COc1ccc(CNC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1O COc1ccc(cc1O)[*:1] O=C(NC[*:1])Nc1ccc2c(c1)oc1ccccc12
CCCc1cc(NS(=O)(=O)c2cccc(Cl)c2)n(C)n1 CCC[*:1] Cn1nc(cc1NS(=O)(=O)c1cccc(Cl)c1)[*:1]
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)c2ccc(c(C)c2)[*:1])c(Br)c1
COc1ncccc1C(=O)N1CCN(Cc2csc(C)n2)CC1 Cc1nc(cs1)C[*:1] COc1ncccc1C(=O)N1CCN(CC1)[*:1]
COc1ncccc1C(=O)N1CCN(Cc2csc(C)n2)CC1 Cc1nc(cs1)[*:1] COc1ncccc1C(=O)N1CCN(CC1)C[*:1]
CC(C)[NH+]1CCC(CNC(=O)C(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] CC(C)[NH+]1CCC(CC1)CNC(=O)C(=O)N[*:1]
CC(C)[NH+]1CCC(CNC(=O)C(=O)NC2CCCCC2)CC1 CC(C)[*:1] O=C(NCC1CC[NH+](CC1)[*:1])C(=O)NC1CCCCC1
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n1N COc1ccccc1[*:1] CC(C)(C)c1ccc(cc1)NC(=O)CSc1nnc(n1N)[*:1]
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n1N CC(C)(C)[*:1] COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(cc2)[*:1])n1N
Cc1nc2ncnn2c(N2CCC[C@H](c3noc(C(C)C)n3)C2)c1C CC(C)[*:1] Cc1nc2ncnn2c(c1C)N1CCC[C@@H](C1)c1noc(n1)[*:1]
Cc1nc2ncnn2c(N2CCC[C@H](c3noc(C(C)C)n3)C2)c1C CC(C)c1nc(no1)[*:1] Cc1nc2ncnn2c(c1C)N1CCC[C@H](C1)[*:1]
CCCCN(C)S(=O)(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CCCC[*:1] CN(S(=O)(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CCCCN(C)S(=O)(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CCC[*:1] CN(C[*:1])S(=O)(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
Cc1ccccc1Nc1c(-c2ccncc2)nc2ccc(Cl)cn12 Cc1ccccc1[*:1] Clc1ccc2nc(-c3ccncc3)c(N[*:1])n2c1
Cc1ccccc1Nc1c(-c2ccncc2)nc2ccc(Cl)cn12 c1cc(ccn1)[*:1] Cc1ccccc1Nc1c(nc2ccc(Cl)cn12)[*:1]
Cc1ccccc1Nc1c(-c2ccncc2)nc2ccc(Cl)cn12 Cc1ccccc1N[*:1] Clc1ccc2nc(-c3ccncc3)c(n2c1)[*:1]
CC[C@@H](CO)N1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 CC[C@@H](CO)[*:1] C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CC2)[*:1])o1
CC[C@@H](CO)N1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 C[C@H]1C[C@@H]1[*:1] CC[C@@H](CO)N1CC[NH+](CC1)Cc1ccc(o1)[*:1]
COc1ccc(-c2cnnn2-c2ccc(C(=O)N3CCN(c4ccccc4OC)CC3)cc2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-c1cnnn1-c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
COc1ccc(-c2cnnn2-c2ccc(C(=O)N3CCN(c4ccccc4OC)CC3)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)-n1nncc1[*:1]
Cc1ccccc1[C@H]1CCN(C(=O)CSCc2ccncc2)C1 Cc1ccccc1[*:1] O=C(CSCc1ccncc1)N1CC[C@@H](C1)[*:1]
Cc1ccccc1[C@H]1CCN(C(=O)CSCc2ccncc2)C1 c1cc(ccn1)C[*:1] Cc1ccccc1[C@H]1CCN(C1)C(=O)CS[*:1]
Cc1ccccc1[C@H]1CCN(C(=O)CSCc2ccncc2)C1 c1cc(ccn1)[*:1] Cc1ccccc1[C@H]1CCN(C1)C(=O)CSC[*:1]
C[NH+]1CCN(c2ccc(NCc3ccn(-c4ccccc4)n3)c[nH+]2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ccc(c[nH+]1)NCc1ccn(n1)[*:1]
CCOC(=O)C1=C(C)N=C(C(=O)[C@@H](C)Sc2nncs2)[C@H]1C c1nnc(s1)[*:1] CCOC(=O)C1=C(C)N=C(C(=O)[C@@H](C)S[*:1])[C@H]1C
CCOC(=O)C1=C(C)N=C(C(=O)[C@@H](C)Sc2nncs2)[C@H]1C CCOC(=O)[*:1] CC1N=C(C(=O)[C@@H](C)Sc2nncs2)[C@@H](C)C=1[*:1]
CCOC(=O)C1=C(C)N=C(C(=O)[C@@H](C)Sc2nncs2)[C@H]1C c1nnc(S[*:1])s1 CCOC(=O)C1=C(C)N=C(C(=O)[C@@H](C)[*:1])[C@H]1C
Cc1cc(C(=O)N2CCN(C(=O)N[C@@H](C)COc3ccc(F)cc3)CC2)on1 Fc1ccc(cc1)[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)C(=O)N[C@@H](C)CO[*:1]
Cc1cc(C(=O)N2CCN(C(=O)N[C@@H](C)COc3ccc(F)cc3)CC2)on1 Fc1ccc(cc1)O[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
Cc1cc(C(=O)N2CCN(C(=O)N[C@@H](C)COc3ccc(F)cc3)CC2)on1 Fc1ccc(cc1)OC[*:1] Cc1cc(on1)C(=O)N1CCN(CC1)C(=O)N[C@@H](C)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)N[C@@H](C)COc3ccc(F)cc3)CC2)on1 Cc1cc(on1)[*:1] C[C@@H](COc1ccc(F)cc1)NC(=O)N1CCN(CC1)C(=O)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)C[S@@](=O)Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C[S@@](=O)Cc1ncn(n1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)C[S@@](=O)Cc1ncn(-c2ccccc2)n1 C[C@H]1CCCC[C@H]1[*:1] O=C(C[S@@](=O)Cc1ncn(n1)-c1ccccc1)N[*:1]
Cn1ccnc1[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 Cn1ccnc1[*:1] O=C(N[C@H](c1ccc(F)cc1)[*:1])c1cccc(Cl)c1
Cn1ccnc1[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 Clc1cccc(c1)[*:1] Cn1ccnc1[C@H](NC(=O)[*:1])c1ccc(F)cc1
Cn1ccnc1[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)c1cccc(Cl)c1)[*:1]
C[C@@H](CNC(=O)N1CCC(OC[C@H]2CCCO2)CC1)C[NH+]1CCCCC1 C1CO[C@H](C1)CO[*:1] C[C@@H](CNC(=O)N1CCC(CC1)[*:1])C[NH+]1CCCCC1
C[C@@H](CNC(=O)N1CCC(OC[C@H]2CCCO2)CC1)C[NH+]1CCCCC1 C1CO[C@H](C1)C[*:1] C[C@@H](CNC(=O)N1CCC(CC1)O[*:1])C[NH+]1CCCCC1
C[C@@H](CNC(=O)N1CCC(OC[C@H]2CCCO2)CC1)C[NH+]1CCCCC1 C1CO[C@H](C1)[*:1] C[C@@H](CNC(=O)N1CCC(CC1)OC[*:1])C[NH+]1CCCCC1
COCC[C@H](C)C(=O)Nc1ccc2c3c(cccc13)CC2 COCC[*:1] C[C@H](C(=O)Nc1ccc2CCc3cccc1c32)[*:1]
COCC[C@H](C)C(=O)Nc1ccc2c3c(cccc13)CC2 COCC[C@H](C)[*:1] O=C(Nc1ccc2CCc3cccc1c32)[*:1]
COCC[C@H](C)C(=O)Nc1ccc2c3c(cccc13)CC2 COC[*:1] C[C@@H](C[*:1])C(=O)Nc1ccc2CCc3cccc1c32
Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4cccc([N+](=O)[O-])c4C)c3c2c1 O=[N+]([O-])[*:1] Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4cccc(c4C)[*:1])c3c2c1
CC[NH2+][C@@H](c1ccc(SC)cc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[NH2+][C@@H](c1ccc(cc1)SC)[*:1]
C[C@H](CCCO)[NH2+]C/C=C/c1ccc(C#N)cc1 OCCC[*:1] C[C@H]([NH2+]C/C=C/c1ccc(C#N)cc1)[*:1]
C[C@H](CCCO)[NH2+]C/C=C/c1ccc(C#N)cc1 OCC[*:1] C[C@H](C[*:1])[NH2+]C/C=C/c1ccc(C#N)cc1
CC(C)(CCCO)CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] CC(C)(CCCO)[*:1] O=c1c(c(nc2ccccn12)NC[*:1])[N+](=O)[O-]
CC(C)(CCCO)CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(CCCO)CNc1nc2ccccn2c(=O)c1[*:1]
CC(C)(CCCO)CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] OCC[*:1] CC(C)(CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])C[*:1]
CC(C)(CCCO)CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] OCCC[*:1] CC(C)(CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])[*:1]
COc1ccc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] COc1ccc(Cl)cc1C(=O)Nc1cc(ccc1C)[*:1]
O=C(CSc1ccc2c(c1)OCCO2)Nc1nc(-c2ccc(F)c(F)c2)cs1 Fc1ccc(cc1F)[*:1] O=C(CSc1ccc2OCCOc2c1)Nc1nc(cs1)[*:1]
O=C(NCC(=O)N1CCN(c2ccccc2F)CC1)c1cccs1 Fc1ccccc1[*:1] O=C(NCC(=O)N1CCN(CC1)[*:1])c1cccs1
O=C(NCC(=O)N1CCN(c2ccccc2F)CC1)c1cccs1 c1csc(c1)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1ccccc1F
O=C(NCC(=O)N1CCN(c2ccccc2F)CC1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(C[*:1])N1CCN(CC1)c1ccccc1F
CCc1nn(C)cc1NC(=O)C(=O)N1CC[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)C(=O)N1CC[C@@H](C1)[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N1CC[C@@H](c2ccccc2)C1 CCc1nn(C)cc1[*:1] O=C(N[*:1])C(=O)N1CC[C@H](C1)c1ccccc1
O=C(C[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)c1nnc(o1)-c1ccc(F)cc1)N[*:1]
O=C(C[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)Nc1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)c1nnc(o1)[*:1])Nc1ccc(Cl)cc1
NC(=O)c1cccc(CS(=O)(=O)c2nc3ccccc3[n-]2)c1 NC(=O)[*:1] O=S(=O)(Cc1cccc(c1)[*:1])c1nc2ccccc2[n-]1
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@@H]1CCc2ccccc2C1 C1CO[C@@H](C1)[*:1] C[C@@H](OC[*:1])C(=O)N(C)[C@@H]1CCc2ccccc2C1
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@@H]1CCc2ccccc2C1 C1CO[C@@H](C1)CO[*:1] C[C@@H](C(=O)N(C)[C@@H]1CCc2ccccc2C1)[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)[C@@H]1CCc2ccccc2C1 C1CO[C@@H](C1)C[*:1] C[C@@H](O[*:1])C(=O)N(C)[C@@H]1CCc2ccccc2C1
CN(Cc1c(F)cccc1Cl)C(=O)Nc1cccc(C[NH+](C)C)c1 Fc1cccc(Cl)c1[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)C[NH+](C)C
CC[C@@H]1CCCC[C@H]1NC(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)[C@](C)(N)[*:1]
C[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)Oc1ccc(F)cc1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@@H](CNC(=O)N[*:1])Oc1ccc(F)cc1
C[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)O[*:1]
Cc1ccc(C(=O)N2CC[C@H](N(C(=O)c3ccc(C)cn3)C3CC3)C2)nc1 C1CC1[*:1] Cc1ccc(nc1)C(=O)N1CC[C@@H](C1)N(C(=O)c1ccc(C)cn1)[*:1]
Cc1ccc(C(=O)N2CC[C@H](N(C(=O)c3ccc(C)cn3)C3CC3)C2)nc1 Cc1ccc(nc1)[*:1] Cc1ccc(nc1)C(=O)N1CC[C@@H](C1)N(C(=O)[*:1])C1CC1
Cc1ccc(C(=O)N2CC[C@H](N(C(=O)c3ccc(C)cn3)C3CC3)C2)nc1 Cc1ccc(nc1)[*:1] Cc1ccc(nc1)C(=O)N(C1CC1)[C@H]1CCN(C1)C(=O)[*:1]
CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 CC[C@@H](C)[*:1] O=C(COC(=O)c1ccc2OCOc2c1)Nc1ccc(cc1)[*:1]
CCOc1ccc(F)c(C(=O)NC[C@@H](O)c2ccccc2Cl)c1F CCO[*:1] O=C(NC[C@@H](O)c1ccccc1Cl)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)NC[C@@H](O)c2ccccc2Cl)c1F Clc1ccccc1[*:1] CCOc1ccc(F)c(C(=O)NC[C@@H](O)[*:1])c1F
CC(C)CC1(CNC(=O)c2cnn(C)c2)CCCC1 CC(C)[*:1] Cn1cc(cn1)C(=O)NCC1(CCCC1)C[*:1]
CC(C)CC1(CNC(=O)c2cnn(C)c2)CCCC1 Cn1cc(cn1)[*:1] CC(C)CC1(CCCC1)CNC(=O)[*:1]
CC(C)CC1(CNC(=O)c2cnn(C)c2)CCCC1 CC(C)C[*:1] Cn1cc(cn1)C(=O)NCC1(CCCC1)[*:1]
Cc1c(Cl)cccc1NCC(F)(F)F FC(F)(F)[*:1] Cc1c(Cl)cccc1NC[*:1]
COc1ccc(/C=C/C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1OC c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(/C=C/C(=O)N2CC(C2)[*:1])cc1OC
C[C@H](C1CC1)N(C)C(=O)c1cn(C2C[NH2+]C2)nn1 C1CC1[*:1] C[C@H](N(C)C(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
C[C@H](C1CC1)N(C)C(=O)c1cn(C2C[NH2+]C2)nn1 C[C@H](C1CC1)[*:1] CN(C(=O)c1cn(nn1)C1C[NH2+]C1)[*:1]
CCOC(=O)[C@H](C)Nc1ccc(C(=O)N(C)C)cn1 CN(C)C(=O)[*:1] CCOC(=O)[C@H](C)Nc1ccc(cn1)[*:1]
CCOC(=O)[C@H](C)Nc1ccc(C(=O)N(C)C)cn1 CCOC(=O)[*:1] C[C@H](Nc1ccc(cn1)C(=O)N(C)C)[*:1]
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)CCC(=O)N3CCCCCC3)cc12 C1CN(CCO1)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)CCC(=O)N1CCCCCC1)[*:1]
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)CCC(=O)N3CCCCCC3)cc12 O=C(N1CCCCCC1)[*:1] Cc1cc([nH+]c2ccc(cc12)NC(=O)CC[*:1])N1CCOCC1
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)CCC(=O)N3CCCCCC3)cc12 O=C(C[*:1])N1CCCCCC1 Cc1cc([nH+]c2ccc(cc12)NC(=O)C[*:1])N1CCOCC1
C[C@@H]1C[C@H]1NC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 Clc1ccccc1[*:1] C[C@@H]1C[C@H]1NC(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1[nH]nc(CCl)c1S(=O)(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] Cc1[nH]nc(CCl)c1S(=O)(=O)N(C)[C@H](C)C[*:1]
Cc1[nH]nc(CCl)c1S(=O)(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] Cc1[nH]nc(CCl)c1S(=O)(=O)N(C)[C@H](C)[*:1]
COCC1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 Cc1ccc(cc1)[*:1] COCC1CCN(CC1)C(=O)N[C@H]1CCCN(C1=O)[*:1]
COCC1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 COC[*:1] Cc1ccc(cc1)N1CCC[C@H](NC(=O)N2CCC(CC2)[*:1])C1=O
COc1ccc(-c2nnc(NC(=O)c3ccc(Br)cc3)o2)c(OC)c1 Brc1ccc(cc1)[*:1] COc1ccc(-c2nnc(NC(=O)[*:1])o2)c(c1)OC
O=C([O-])/C=C\c1ccc(S(=O)(=O)N2CCCCCC2)cc1 O=C([O-])C=C[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCCCCC1
O=C([O-])/C=C\c1ccc(S(=O)(=O)N2CCCCCC2)cc1 O=C([O-])[*:1] O=S(=O)(c1ccc(C=C[*:1])cc1)N1CCCCCC1
c1ccc(Cn2ncc3c2CCC[C@@H]3[NH2+]Cc2cccs2)cc1 c1ccc(cc1)[*:1] c1csc(c1)C[NH2+][C@H]1CCCc2c1cnn2C[*:1]
c1ccc(Cn2ncc3c2CCC[C@@H]3[NH2+]Cc2cccs2)cc1 c1csc(c1)[*:1] c1ccc(cc1)Cn1ncc2c1CCC[C@@H]2[NH2+]C[*:1]
c1ccc(Cn2ncc3c2CCC[C@@H]3[NH2+]Cc2cccs2)cc1 c1ccc(cc1)C[*:1] c1csc(c1)C[NH2+][C@H]1CCCc2c1cnn2[*:1]
c1ccc(Cn2ncc3c2CCC[C@@H]3[NH2+]Cc2cccs2)cc1 c1csc(c1)C[*:1] c1ccc(cc1)Cn1ncc2c1CCC[C@@H]2[NH2+][*:1]
CC(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(Br)c1 CC(C)C[*:1] C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)[*:1]
CC(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(Br)c1 CC(C)[*:1] C[C@H](C[*:1])[NH2+]Cc1ccc(F)c(Br)c1
CC(=O)c1ccc(N2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(c(c1)[*:1])N1CC[C@@H](COCc2ccccc2)C1
CC(=O)c1ccc(N2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])c1 c1ccc(cc1)CO[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CC[C@H](C1)C[*:1]
CC(=O)c1ccc(N2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])c1 CC(=O)[*:1] O=[N+]([O-])c1cc(ccc1N1CC[C@@H](COCc2ccccc2)C1)[*:1]
CC(=O)c1ccc(N2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])c1 c1ccc(cc1)C[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CC[C@@H](CO[*:1])C1
CC(=O)c1ccc(N2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CC[C@@H](COC[*:1])C1
CC(C)C[C@]1(C)C[NH2+][C@H]2CCC(C)(C)[C@@H]2O1 CC(C)C[*:1] CC1(C)CC[C@@H]2[NH2+]C[C@@](C)(O[C@H]21)[*:1]
CC(C)C[C@]1(C)C[NH2+][C@H]2CCC(C)(C)[C@@H]2O1 CC(C)[*:1] CC1(C)CC[C@@H]2[NH2+]C[C@@](C)(C[*:1])O[C@H]21
CCONC(=O)c1cc(C)nc2cc(F)ccc12 CCONC(=O)[*:1] Cc1cc(c2ccc(F)cc2n1)[*:1]
O=C(c1ccc(Cl)c(Cl)c1)N1CCS[C@H]1c1ccc2c(c1)OCO2 Clc1ccc(cc1Cl)[*:1] O=C(N1CCS[C@H]1c1ccc2OCOc2c1)[*:1]
COc1ccc(NC(=O)C(=O)NCC2(O)CCCCC2)cc1 OC1(CCCCC1)[*:1] COc1ccc(cc1)NC(=O)C(=O)NC[*:1]
CCOc1ccccc1OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)C[*:1] CCOc1ccccc1OC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOc1ccccc1OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 c1coc(c1)[*:1] CCOc1ccccc1OC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCOc1ccccc1OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 CCO[*:1] O=C(Oc1ccccc1[*:1])[C@@H]1CC(=O)N(Cc2ccco2)C1
COc1ccc([C@@H](NC(=O)c2cc3c(F)cccc3[nH]2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)[*:1]
COc1ccc([C@@H](NC(=O)c2cc3c(F)cccc3[nH]2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H](C1CCOCC1)[*:1])c1cc2c(F)cccc2[nH]1
COCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] COCC[C@H](C)[NH2+]Cc1ccc(c(F)c1)[*:1]
COCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 COC[*:1] C[C@@H](C[*:1])[NH2+]Cc1ccc(c(F)c1)[N+](=O)[O-]
COCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 COCC[*:1] C[C@H]([NH2+]Cc1ccc(c(F)c1)[N+](=O)[O-])[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)C1 Clc1ccc(c(Cl)c1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1cc(CO[*:1])on1
O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1)c1cc(F)ccc1F c1ccc(cc1)C[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@H](C(=O)N2C1)[*:1])c1cc(F)ccc1F
O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C1N[C@H](Cc2ccccc2)C(=O)N2C[C@H](C[C@@H]12)NC(=O)[*:1]
O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1)c1cc(F)ccc1F c1ccc(cc1)[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@H](C[*:1])C(=O)N2C1)c1cc(F)ccc1F
COc1cccc(C(=O)N2CCc3nc(-c4ccccn4)nc(N4CCCC4)c3C2)c1 COc1cccc(c1)[*:1] O=C(N1CCc2nc(nc(c2C1)N1CCCC1)-c1ccccn1)[*:1]
COc1cccc(C(=O)N2CCc3nc(-c4ccccn4)nc(N4CCCC4)c3C2)c1 C1CCN(C1)[*:1] COc1cccc(c1)C(=O)N1CCc2nc(nc(c2C1)[*:1])-c1ccccn1
COc1cccc(C(=O)N2CCc3nc(-c4ccccn4)nc(N4CCCC4)c3C2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)C(=O)N1CCc2nc(nc(c2C1)N1CCCC1)[*:1]
C[NH+](CCOc1cccc(Cl)c1)CC(=O)N1CCNC1=O Clc1cccc(c1)[*:1] C[NH+](CCO[*:1])CC(=O)N1CCNC1=O
C[NH2+][C@H](CCC(C)C)[C@H]1CN(C)CCO1 CC(C)[*:1] C[NH2+][C@H](CC[*:1])[C@H]1CN(C)CCO1
C[NH2+][C@H](CCC(C)C)[C@H]1CN(C)CCO1 CC(C)C[*:1] C[NH2+][C@H](C[*:1])[C@H]1CN(C)CCO1
C[NH2+][C@H](CCC(C)C)[C@H]1CN(C)CCO1 CC(C)CC[*:1] C[NH2+][C@H]([C@H]1CN(C)CCO1)[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COC(=O)[C@H]1C=CS[C@H]1NC(=O)CSC1[NH+]=c2ccccc2=[NH+]1 COC(=O)[*:1] O=C(CSC1[NH+]=c2ccccc2=[NH+]1)N[C@@H]1SC=C[C@@H]1[*:1]
CC[NH+](CC)CCn1c(-c2cccc(OC)c2)nc2ccccc21 COc1cccc(c1)[*:1] CC[NH+](CC)CCn1c(nc2ccccc21)[*:1]
Cc1c(C(=O)N/N=C\c2ccc(-c3ccc(Br)cc3)o2)sc(N)c1C#N Brc1ccc(cc1)[*:1] Cc1c(sc(N)c1C#N)C(=O)N/N=C\c1ccc(o1)[*:1]
COC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F COC(C)(C)[*:1] O=C(NC[*:1])[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F
COC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)[*:1] COC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1O[*:1]
COC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] COC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1[*:1]
COC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F COC(C)(C)C[*:1] O=C(N[*:1])[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F
COC(C)(C)CNC(=O)C[C@@H](NC(N)=O)c1ccccc1C NC(=O)N[*:1] COC(C)(C)CNC(=O)C[C@@H](c1ccccc1C)[*:1]
COC(C)(C)CNC(=O)C[C@@H](NC(N)=O)c1ccccc1C COC(C)(C)[*:1] Cc1ccccc1[C@@H](CC(=O)NC[*:1])NC(N)=O
COC(C)(C)CNC(=O)C[C@@H](NC(N)=O)c1ccccc1C COC(C)(C)C[*:1] Cc1ccccc1[C@@H](CC(=O)N[*:1])NC(N)=O
COC(C)(C)CNC(=O)C[C@@H](NC(N)=O)c1ccccc1C Cc1ccccc1[*:1] COC(C)(C)CNC(=O)C[C@@H](NC(N)=O)[*:1]
COCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] COCCC(=O)N[*:1] O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[*:1]
COCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] O=C([O-])[*:1] COCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)[*:1]
COCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] COCC[*:1] O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[*:1]
COCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] COC[*:1] O=C(C[*:1])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
CCC(CC)[C@@]1([NH3+])CCCCc2ccccc21 CCC(CC)[*:1] [NH3+][C@]1(CCCCc2ccccc21)[*:1]
Cc1cc(C)cc(NC(=O)CNc2cc3c(cc2Cl)NC(=O)CO3)c1 Cc1cc(C)cc(c1)[*:1] O=C1COc2cc(NCC(=O)N[*:1])c(Cl)cc2N1
Cc1ccccc1CN(Cc1cccnc1)C(=O)CN1C(=O)NC(C)(C)C1=O c1cncc(c1)[*:1] Cc1ccccc1CN(C[*:1])C(=O)CN1C(=O)NC(C)(C)C1=O
Cc1ccccc1CN(Cc1cccnc1)C(=O)CN1C(=O)NC(C)(C)C1=O CC1(C)NC(=O)N(C1=O)[*:1] Cc1ccccc1CN(Cc1cccnc1)C(=O)C[*:1]
Cc1ccccc1CN(Cc1cccnc1)C(=O)CN1C(=O)NC(C)(C)C1=O c1cncc(c1)C[*:1] Cc1ccccc1CN(C(=O)CN1C(=O)NC(C)(C)C1=O)[*:1]
Cc1ccccc1CN(Cc1cccnc1)C(=O)CN1C(=O)NC(C)(C)C1=O Cc1ccccc1C[*:1] CC1(C)NC(=O)N(CC(=O)N(Cc2cccnc2)[*:1])C1=O
Cc1ccccc1CN(Cc1cccnc1)C(=O)CN1C(=O)NC(C)(C)C1=O Cc1ccccc1[*:1] CC1(C)NC(=O)N(CC(=O)N(Cc2cccnc2)C[*:1])C1=O
Cc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 Fc1cc(F)cc(c1)[*:1] Cc1cccc(c1NC(=O)[C@H]1CC(=O)N(C1)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 CC(C)[*:1] Cc1cccc(c1NC(=O)[C@H]1CC(=O)N(C1)c1cc(F)cc(F)c1)[*:1]
COC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)nc1 COC(=O)[*:1] CC(C)c1ccc(cc1)N[C@@H]1CCCN(C1)C(=O)c1ccc(cn1)[*:1]
COC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)nc1 CC(C)[*:1] COC(=O)c1ccc(nc1)C(=O)N1CCC[C@H](C1)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)nc1 CC(C)c1ccc(cc1)[*:1] COC(=O)c1ccc(nc1)C(=O)N1CCC[C@H](C1)N[*:1]
NC(=O)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 NC(=O)[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
NC(=O)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 O=C1CCCN1[*:1] NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(C)cc(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c1 CC(C)[*:1] Cc1cc(C)cc(c1)NC(=O)CN1C(=O)N[C@@H](C[*:1])C1=O
Cc1cc(C)cc(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c1 CC(C)C[*:1] Cc1cc(C)cc(c1)NC(=O)CN1C(=O)N[C@@H](C1=O)[*:1]
COC(=O)C1=C(C)N=C(C(=O)N2CCC(CC(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)CC2)[C@H]1C Cc1cccc(c1)[*:1] COC(=O)C1=C(C)N=C(C(=O)N2CCC(CC2)CC(=O)N2CCN([C@H](C)C2)[*:1])[C@H]1C
COC(=O)C1=C(C)N=C(C(=O)N2CCC(CC(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)CC2)[C@H]1C COC(=O)[*:1] CC1N=C(C(=O)N2CCC(CC2)CC(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)[C@@H](C)C=1[*:1]
CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1C[*:1]
CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 CC(C)[*:1] O=C(C[*:1])/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1
CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 CC(C)C[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1)[*:1]
CC(C)n1c(CNC(=O)Nc2cc(Cl)ccc2F)n[nH]c1=S CC(C)[*:1] O=C(NCc1n[nH]c(=S)n1[*:1])Nc1cc(Cl)ccc1F
C=CCN(CC(=O)[O-])C(=O)c1cc(OC)ccc1Br C=CC[*:1] COc1ccc(Br)c(c1)C(=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])C(=O)c1cc(OC)ccc1Br O=C([O-])C[*:1] C=CCN(C(=O)c1cc(ccc1Br)OC)[*:1]
C=CCN(CC(=O)[O-])C(=O)c1cc(OC)ccc1Br O=C([O-])[*:1] C=CCN(C[*:1])C(=O)c1cc(ccc1Br)OC
CCn1cc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)ccc1=O CCn1cc(ccc1=O)[*:1] O=C(N[*:1])c1sccc1S(=O)(=O)N1CCc2ccccc2C1
Cc1ccc(N2C[C@@H](C(=O)NCc3csc(=O)[nH]3)CCC2=O)cc1C O=c1[nH]c(cs1)C[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCc3csc(=O)[nH]3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NCc1csc(=O)[nH]1)[C@H]1CCC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCc3csc(=O)[nH]3)CCC2=O)cc1C O=c1[nH]c(cs1)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)NC[*:1]
COc1ccc2nc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)sc2c1 N#Cc1ccc(cc1)[*:1] COc1ccc2nc(NC(=O)[C@@H](C)O[*:1])sc2c1
CC[C@H](C)OCC(=O)Nc1cn(C)nc1-c1ccccc1 CC[C@H](C)OC[*:1] Cn1cc(NC(=O)[*:1])c(n1)-c1ccccc1
CC[C@H](C)OCC(=O)Nc1cn(C)nc1-c1ccccc1 CC[C@H](C)[*:1] Cn1cc(NC(=O)CO[*:1])c(n1)-c1ccccc1
CC[C@H](C)OCC(=O)Nc1cn(C)nc1-c1ccccc1 CC[C@H](C)O[*:1] Cn1cc(NC(=O)C[*:1])c(n1)-c1ccccc1
CC[C@H](C)OCC(=O)Nc1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)OCC(=O)Nc1cn(C)nc1[*:1]
CC[C@@H](Nc1cccc(F)c1C(N)=S)C(C)C CC(C)[*:1] CC[C@@H](Nc1cccc(F)c1C(N)=S)[*:1]
CC[C@@H](Nc1cccc(F)c1C(N)=S)C(C)C NC(=S)[*:1] CC[C@@H](Nc1cccc(F)c1[*:1])C(C)C
CCOC(=O)c1nnnn1[C@@H]1CCOC2(CCSCC2)C1 CCOC(=O)[*:1] C1C[C@H](CC2(CCSCC2)O1)n1nnnc1[*:1]
COC[C@H](C)OC(=O)/C=C/c1ccc(Cl)nc1 COC[C@H](C)[*:1] O=C(/C=C/c1ccc(Cl)nc1)O[*:1]
COC[C@H](C)OC(=O)/C=C/c1ccc(Cl)nc1 COC[*:1] C[C@H](OC(=O)/C=C/c1ccc(Cl)nc1)[*:1]
CC(C)CC1(CNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCCC1 CC(C)C[*:1] O=C(NCC1(CCCC1)[*:1])c1ccc2[nH]c(=O)c(=O)[nH]c2c1
CC(C)CC1(CNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCCC1 CC(C)[*:1] O=C(NCC1(CCCC1)C[*:1])c1ccc2[nH]c(=O)c(=O)[nH]c2c1
CCO[C@@H]1C[C@@H]1C(=O)NCc1csc(-c2ccccc2)n1 CCO[*:1] O=C(NCc1csc(n1)-c1ccccc1)[C@H]1C[C@H]1[*:1]
CCO[C@@H]1C[C@@H]1C(=O)NCc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCO[C@@H]1C[C@@H]1C(=O)NCc1csc(n1)[*:1]
O=C1[C@H](c2ccc(F)cc2)N(CCc2ccccc2Cl)C(=O)CN1C1CCCCC1 Clc1ccccc1[*:1] O=C1[C@H](c2ccc(F)cc2)N(CC[*:1])C(=O)CN1C1CCCCC1
O=C1[C@H](c2ccc(F)cc2)N(CCc2ccccc2Cl)C(=O)CN1C1CCCCC1 Clc1ccccc1C[*:1] O=C1[C@H](c2ccc(F)cc2)N(C[*:1])C(=O)CN1C1CCCCC1
O=C1[C@H](c2ccc(F)cc2)N(CCc2ccccc2Cl)C(=O)CN1C1CCCCC1 C1CCC(CC1)[*:1] O=C1CN(C(=O)[C@H](c2ccc(F)cc2)N1CCc1ccccc1Cl)[*:1]
O=C1[C@H](c2ccc(F)cc2)N(CCc2ccccc2Cl)C(=O)CN1C1CCCCC1 Clc1ccccc1CC[*:1] O=C1[C@H](c2ccc(F)cc2)N(C(=O)CN1C1CCCCC1)[*:1]
O=C1[C@H](c2ccc(F)cc2)N(CCc2ccccc2Cl)C(=O)CN1C1CCCCC1 Fc1ccc(cc1)[*:1] O=C1[C@H](N(CCc2ccccc2Cl)C(=O)CN1C1CCCCC1)[*:1]
CC[C@@H](C)N(CC)c1cccc(F)c1C#N CC[C@@H](C)[*:1] CCN(c1cccc(F)c1C#N)[*:1]
CC(=O)O[C@@H]1CS(=O)(=O)C[C@@H]1Cl CC(=O)O[*:1] O=S1(=O)C[C@H](Cl)[C@@H](C1)[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)N(C)Cc1ccccc1 c1coc(c1)[*:1] C[C@H](Sc1nnc(n1C1CCCCC1)[*:1])C(=O)N(C)Cc1ccccc1
C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)N(C)[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)N(C)C[*:1]
C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)N(C)Cc1ccccc1 C1CCC(CC1)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1[*:1])C(=O)N(C)Cc1ccccc1
C/C(CC(=O)Nc1ccc(F)cc1F)=N\NC(=O)c1ccc(O)cc1 Fc1ccc(c(F)c1)[*:1] C/C(CC(=O)N[*:1])=N\NC(=O)c1ccc(O)cc1
C/C(CC(=O)Nc1ccc(F)cc1F)=N\NC(=O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C/C(CC(=O)Nc1ccc(F)cc1F)=N\NC(=O)[*:1]
CC(C)[C@@H]1NC(=O)c2ccccc2N(CC(=O)Nc2nccs2)C1=O CC(C)[*:1] O=C(CN1C(=O)[C@@H](NC(=O)c2ccccc21)[*:1])Nc1nccs1
CC(C)[C@@H]1NC(=O)c2ccccc2N(CC(=O)Nc2nccs2)C1=O O=C(Nc1nccs1)[*:1] CC(C)[C@@H]1NC(=O)c2ccccc2N(C[*:1])C1=O
CC(C)[C@@H]1NC(=O)c2ccccc2N(CC(=O)Nc2nccs2)C1=O c1csc(n1)[*:1] CC(C)[C@@H]1NC(=O)c2ccccc2N(CC(=O)N[*:1])C1=O
C[C@@H]1CCCCN1C(=O)CSc1ccc(-c2ccc(F)cc2)nn1 Fc1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)CSc1ccc(nn1)[*:1]
CCOCC[NH+](C)CC(=O)Nc1nccs1 CCOC[*:1] C[NH+](CC(=O)Nc1nccs1)C[*:1]
CCOCC[NH+](C)CC(=O)Nc1nccs1 c1csc(n1)[*:1] CCOCC[NH+](C)CC(=O)N[*:1]
CCOCC[NH+](C)CC(=O)Nc1nccs1 CCOCC[*:1] C[NH+](CC(=O)Nc1nccs1)[*:1]
CCOCC[NH+](C)CC(=O)Nc1nccs1 CCO[*:1] C[NH+](CC[*:1])CC(=O)Nc1nccs1
CCc1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C(N)=O)cc1 NC(=O)[*:1] CCc1ccc(cc1)-c1c(C)sc(NC(=O)c2ccnn2C)c1[*:1]
CCc1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C(N)=O)cc1 CCc1ccc(cc1)[*:1] Cc1sc(NC(=O)c2ccnn2C)c(C(N)=O)c1[*:1]
CCc1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C(N)=O)cc1 Cn1nccc1[*:1] CCc1ccc(cc1)-c1c(C)sc(NC(=O)[*:1])c1C(N)=O
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](O)[*:1] C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[*:1]
Cc1ccc(NC(=O)N2CCc3cn(C)c4cccc(c34)C2)cc1F Cc1ccc(cc1F)[*:1] Cn1cc2CCN(Cc3cccc1c23)C(=O)N[*:1]
Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 Clc1ccc(c(Cl)c1)[*:1] Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[*:1])C2=O)cc1
Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCCN1C(=O)SC(=C[*:1])C1=O)c1ccc(Cl)cc1Cl
CCS(=O)(=O)NCCNS(=O)(=O)c1ccccc1Cl CCS(=O)(=O)N[*:1] O=S(=O)(NCC[*:1])c1ccccc1Cl
C[C@@H](CC(=O)OCC(N)=O)c1ccc(F)cc1 NC(=O)[*:1] C[C@@H](CC(=O)OC[*:1])c1ccc(F)cc1
C[C@@H](CC(=O)OCC(N)=O)c1ccc(F)cc1 NC(=O)C[*:1] C[C@@H](CC(=O)O[*:1])c1ccc(F)cc1
CCn1c(SCc2ccccc2C#N)nnc1N1CCOCC1 C1CN(CCO1)[*:1] CCn1c(nnc1[*:1])SCc1ccccc1C#N
CC(C)(C)C(=O)ON=C(c1cccs1)c1cccs1 c1csc(c1)[*:1] CC(C)(C)C(=O)ON=C(c1cccs1)[*:1]
CC(C)(C)C(=O)ON=C(c1cccs1)c1cccs1 CC(C)(C)[*:1] O=C(ON=C(c1cccs1)c1cccs1)[*:1]
COC(=O)[C@H]1CCCCN1Cc1c(C)nc2sccn12 COC(=O)[*:1] Cc1nc2sccn2c1CN1CCCC[C@@H]1[*:1]
Cc1cc(N2CCC[C@@H](OC(=O)/C=C/c3nc4ccccc4s3)C2)nc(C)[nH+]1 c1ccc2sc(nc2c1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCC[C@H](C1)OC(=O)C=C[*:1]
Cc1n[nH]c(C)c1NC(=O)[C@@H](C)OCc1ccccc1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1NC(=O)[C@@H](C)OC[*:1]
Cc1nc(SCC(=O)NCC(=O)N2CCCC2)c(C#N)c(C)c1C O=C(C[*:1])N1CCCC1 Cc1nc(SCC(=O)N[*:1])c(C#N)c(C)c1C
Cc1nc(SCC(=O)NCC(=O)N2CCCC2)c(C#N)c(C)c1C O=C(N1CCCC1)[*:1] Cc1nc(SCC(=O)NC[*:1])c(C#N)c(C)c1C
CCCNc1ccc(Cl)cc1C(=O)N[C@H]1CCCC1(C)C CCCN[*:1] CC1(C)CCC[C@@H]1NC(=O)c1cc(Cl)ccc1[*:1]
CCCNc1ccc(Cl)cc1C(=O)N[C@H]1CCCC1(C)C CCC[*:1] CC1(C)CCC[C@@H]1NC(=O)c1cc(Cl)ccc1N[*:1]
CCCN(C)S(=O)(=O)CCCC(=O)[O-] O=C([O-])C[*:1] CCCN(C)S(=O)(=O)CC[*:1]
CCCN(C)S(=O)(=O)CCCC(=O)[O-] O=C([O-])[*:1] CCCN(C)S(=O)(=O)CCC[*:1]
CCCN(C)S(=O)(=O)CCCC(=O)[O-] CCC[*:1] CN(S(=O)(=O)CCCC(=O)[O-])[*:1]
C[C@H]([NH3+])c1nc(-c2nc([C@@H]3CSCCO3)no2)cs1 C1CSC[C@H](O1)[*:1] C[C@H]([NH3+])c1nc(cs1)-c1nc(no1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 CS(=O)(=O)[*:1] O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(cc1)[*:1]
CN(Cc1cccs1)C(=O)Nc1ccccn1 c1csc(c1)[*:1] CN(C[*:1])C(=O)Nc1ccccn1
CSc1ccsc1C(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 CSc1ccsc1[*:1] O=C(NCC(F)(F)F)[C@@H]1CCCN(C1)C(=O)[*:1]
CSc1ccsc1C(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 FC(F)(F)C[*:1] CSc1ccsc1C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CSc1ccsc1C(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 FC(F)(F)[*:1] CSc1ccsc1C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
O=C(COc1cccc(NC(=O)c2ccco2)c1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1cccc(c1)NC(=O)c1ccco1)O[*:1]
O=C(COc1cccc(NC(=O)c2ccco2)c1)Oc1ccccc1 c1coc(c1)[*:1] O=C(COc1cccc(c1)NC(=O)[*:1])Oc1ccccc1
O=C(COc1cccc(NC(=O)c2ccco2)c1)Oc1ccccc1 O=C(N[*:1])c1ccco1 O=C(COc1cccc(c1)[*:1])Oc1ccccc1
CC(C)COc1ncc(CNC(=O)c2[nH]ncc2Br)cc1Cl Brc1cn[nH]c1[*:1] CC(C)COc1ncc(cc1Cl)CNC(=O)[*:1]
CC(C)COc1ncc(CNC(=O)c2[nH]ncc2Br)cc1Cl CC(C)[*:1] O=C(NCc1cnc(OC[*:1])c(Cl)c1)c1[nH]ncc1Br
CC(C)COc1ncc(CNC(=O)c2[nH]ncc2Br)cc1Cl CC(C)C[*:1] O=C(NCc1cnc(O[*:1])c(Cl)c1)c1[nH]ncc1Br
CC(C)COc1ncc(CNC(=O)c2[nH]ncc2Br)cc1Cl CC(C)CO[*:1] O=C(NCc1cnc(c(Cl)c1)[*:1])c1[nH]ncc1Br
CC[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)c1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)[*:1]
COC(=O)c1ccc(NC(=O)Nc2c(C)n[nH]c2C)cc1C Cc1n[nH]c(C)c1[*:1] COC(=O)c1ccc(cc1C)NC(=O)N[*:1]
COC(=O)c1ccc(NC(=O)Nc2c(C)n[nH]c2C)cc1C COC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)Nc1c(C)n[nH]c1C
c1ccc(CCC[NH+]2CCC([NH+]3CCCCCC3)CC2)cc1 c1ccc(cc1)[*:1] C1CCC[NH+](CC1)C1CC[NH+](CCC[*:1])CC1
c1ccc(CCC[NH+]2CCC([NH+]3CCCCCC3)CC2)cc1 c1ccc(cc1)C[*:1] C1CCC[NH+](CC1)C1CC[NH+](CC1)CC[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Fc1cccc(c1)CC[*:1] C[C@H](C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O)[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Fc1cccc(c1)C[*:1] C[C@H](C[*:1])C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O
C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Fc1cccc(c1)[*:1] C[C@H](CC[*:1])C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O
COCc1cccc(NC(=O)NCCc2nc3ccccc3[nH]2)c1 COC[*:1] O=C(NCCc1nc2ccccc2[nH]1)Nc1cccc(c1)[*:1]
Cc1ccc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)s1 Cc1ccc(s1)[*:1] O=C(CS[C@@H]1CCS(=O)(=O)C1)NC[*:1]
CCN(C(=O)Nc1cc(C(=O)NC)ccc1OC)[C@@H](C)c1ccc(F)cc1 CNC(=O)[*:1] CCN(C(=O)Nc1cc(ccc1OC)[*:1])[C@@H](C)c1ccc(F)cc1
CCN(C(=O)Nc1cc(C(=O)NC)ccc1OC)[C@@H](C)c1ccc(F)cc1 C[C@@H](c1ccc(F)cc1)[*:1] CCN(C(=O)Nc1cc(ccc1OC)C(=O)NC)[*:1]
CCN(C(=O)Nc1cc(C(=O)NC)ccc1OC)[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)Nc1cc(ccc1OC)C(=O)NC)[C@@H](C)[*:1]
COc1ccccc1C(C)(C)NC(=O)N[C@@H]1CCCn2c(C)nnc21 COc1ccccc1[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)NC(C)(C)[*:1]
CCN(C(=O)CN1CCC[NH+](CC(=O)N2CCCC2)CC1)c1ccccc1 O=C(N1CCCC1)[*:1] CCN(C(=O)CN1CCC[NH+](CC1)C[*:1])c1ccccc1
CCN(C(=O)CN1CCC[NH+](CC(=O)N2CCCC2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CN1CCC[NH+](CC1)CC(=O)N1CCCC1)[*:1]
CCN(C(=O)CN1CCC[NH+](CC(=O)N2CCCC2)CC1)c1ccccc1 O=C(C[*:1])N1CCCC1 CCN(C(=O)CN1CCC[NH+](CC1)[*:1])c1ccccc1
C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1 c1cc2OCOc2cc1[*:1] C[C@@H](NCC(=O)Nc1ccccc1C(=O)N[*:1])c1cccc(Cl)c1
C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc2OCOc2c1)[*:1]
CCC(CC)c1nnc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)s1 CS(=O)(=O)[*:1] CCC(CC)c1nnc(NC(=O)c2ccc(cc2)C[*:1])s1
CCC(CC)c1nnc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)s1 CCC(CC)[*:1] CS(=O)(=O)Cc1ccc(cc1)C(=O)Nc1nnc(s1)[*:1]
CCC(CC)c1nnc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)s1 CS(=O)(=O)C[*:1] CCC(CC)c1nnc(NC(=O)c2ccc(cc2)[*:1])s1
COC[C@H](O)CNc1cc2ccccc2c(Cl)n1 COC[*:1] O[C@H](CNc1cc2ccccc2c(Cl)n1)[*:1]
COC[C@H](O)CNc1cc2ccccc2c(Cl)n1 COC[C@H](O)C[*:1] Clc1nc(cc2ccccc12)N[*:1]
COC[C@H](O)CNc1cc2ccccc2c(Cl)n1 COC[C@H](O)[*:1] Clc1nc(cc2ccccc12)NC[*:1]
COc1cc(CSc2ncc[nH]2)ccc1SC c1c[nH]c(n1)[*:1] COc1cc(ccc1SC)CS[*:1]
CCNC(=O)c1cc2cn(C3CCCC3)cc2s1 C1CCC(C1)[*:1] CCNC(=O)c1cc2cn(cc2s1)[*:1]
CCNC(=O)c1cc2cn(C3CCCC3)cc2s1 CCNC(=O)[*:1] c1c(sc2cn(cc12)C1CCCC1)[*:1]
C#CCOCC1CCN(C(=O)c2cccc3ccccc23)CC1 C#CCOC[*:1] O=C(c1cccc2ccccc12)N1CCC(CC1)[*:1]
C#CCOCC1CCN(C(=O)c2cccc3ccccc23)CC1 C#CC[*:1] O=C(c1cccc2ccccc12)N1CCC(CC1)CO[*:1]
C#CCOCC1CCN(C(=O)c2cccc3ccccc23)CC1 C#CCO[*:1] O=C(c1cccc2ccccc12)N1CCC(CC1)C[*:1]
CCC[C@H](C)N1C[C@H](C(=O)Nc2ccc(C)cc2)CC1=O Cc1ccc(cc1)[*:1] CCC[C@H](C)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCC[C@H](C)N1C[C@H](C(=O)Nc2ccc(C)cc2)CC1=O CCC[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[C@@H](C)[*:1]
CCC[C@H](C)N1C[C@H](C(=O)Nc2ccc(C)cc2)CC1=O CCC[C@H](C)[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCn1nc(C)c(Nc2nc(Cl)c(C(=O)OC)s2)c1C COC(=O)[*:1] CCn1nc(C)c(Nc2nc(Cl)c(s2)[*:1])c1C
C#CCNC(=O)c1ccccc1NC(=O)c1cc(C(C)C)no1 C#CCNC(=O)[*:1] CC(C)c1cc(on1)C(=O)Nc1ccccc1[*:1]
C#CCNC(=O)c1ccccc1NC(=O)c1cc(C(C)C)no1 CC(C)[*:1] C#CCNC(=O)c1ccccc1NC(=O)c1cc(no1)[*:1]
C#CCNC(=O)c1ccccc1NC(=O)c1cc(C(C)C)no1 C#CC[*:1] CC(C)c1cc(on1)C(=O)Nc1ccccc1C(=O)N[*:1]
O=C(CCc1ccco1)N1CCC(Nc2cccnn2)CC1 c1coc(c1)[*:1] O=C(CC[*:1])N1CCC(CC1)Nc1cccnn1
O=C(CCc1ccco1)N1CCC(Nc2cccnn2)CC1 c1cnnc(c1)[*:1] O=C(CCc1ccco1)N1CCC(CC1)N[*:1]
O=C(CCc1ccco1)N1CCC(Nc2cccnn2)CC1 c1coc(c1)CC[*:1] O=C(N1CCC(CC1)Nc1cccnn1)[*:1]
O=C(CCc1ccco1)N1CCC(Nc2cccnn2)CC1 c1cnnc(c1)N[*:1] O=C(CCc1ccco1)N1CCC(CC1)[*:1]
O=C(CCc1ccco1)N1CCC(Nc2cccnn2)CC1 c1coc(c1)C[*:1] O=C(C[*:1])N1CCC(CC1)Nc1cccnn1
CCOC1CCN(/C(NCC2([NH+](C)C)CCOCC2)=[NH+]\C)CC1 CCO[*:1] C/[NH+]=C(/NCC1(CCOCC1)[NH+](C)C)N1CCC(CC1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N2CCN(CC2)CC(=O)Nc2ccc(F)cc2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1C Fc1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC2)CC(=O)N[*:1])c1C
CC1(CNC(=O)NC[C@H]2CCC[C@H]2O)CCCC1 CC1(CCCC1)[*:1] O=C(NC[C@H]1CCC[C@H]1O)NC[*:1]
CC1(CNC(=O)NC[C@H]2CCC[C@H]2O)CCCC1 O[C@@H]1CCC[C@@H]1[*:1] CC1(CCCC1)CNC(=O)NC[*:1]
N#CCOc1ccc(/C=C/C(=O)NCc2ccc3c(c2)CCC3)cc1 N#CC[*:1] O=C(/C=C/c1ccc(cc1)O[*:1])NCc1ccc2CCCc2c1
N#CCOc1ccc(/C=C/C(=O)NCc2ccc3c(c2)CCC3)cc1 N#CCO[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NCc1ccc2CCCc2c1
CCCNC(=O)C1CCN(C(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)CC1 CCCNC(=O)[*:1] Cc1nn(-c2ccccc2)c(c1C(=O)N1CCC(CC1)[*:1])-n1cccc1
CCCNC(=O)C1CCN(C(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)CC1 c1ccc(cc1)[*:1] CCCNC(=O)C1CCN(CC1)C(=O)c1c(C)nn(c1-n1cccc1)[*:1]
CCCNC(=O)C1CCN(C(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)CC1 CCC[*:1] Cc1nn(-c2ccccc2)c(c1C(=O)N1CCC(CC1)C(=O)N[*:1])-n1cccc1
CCCNC(=O)C1CCN(C(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)CC1 c1ccn(c1)[*:1] CCCNC(=O)C1CCN(CC1)C(=O)c1c(C)nn(-c2ccccc2)c1[*:1]
O=C(CC/C=C/c1ccccc1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(CC/C=C/c1ccccc1)O[*:1]
O=C(CC/C=C/c1ccccc1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(CCC=C[*:1])Oc1ccccc1
O=S(=O)(Cc1nnnn1C1CC1)C[C@H]1CCCO1 C1CC1[*:1] O=S(=O)(Cc1nnnn1[*:1])C[C@H]1CCCO1
O=S(=O)(Cc1nnnn1C1CC1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=S(=O)(Cc1nnnn1C1CC1)C[*:1]
O=S(=O)(Cc1nnnn1C1CC1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=S(=O)(Cc1nnnn1C1CC1)[*:1]
CC/[NH+]=C(/NCC1(O)CCOCC1)N1CC[C@@H](Oc2ccccc2)C1 c1ccc(cc1)O[*:1] CC/[NH+]=C(/NCC1(O)CCOCC1)N1CC[C@@H](C1)[*:1]
CC/[NH+]=C(/NCC1(O)CCOCC1)N1CC[C@@H](Oc2ccccc2)C1 OC1(CCOCC1)[*:1] CC/[NH+]=C(/NC[*:1])N1CC[C@H](C1)Oc1ccccc1
CC/[NH+]=C(/NCC1(O)CCOCC1)N1CC[C@@H](Oc2ccccc2)C1 OC1(CCOCC1)C[*:1] CC/[NH+]=C(/N[*:1])N1CC[C@H](C1)Oc1ccccc1
CC/[NH+]=C(/NCC1(O)CCOCC1)N1CC[C@@H](Oc2ccccc2)C1 c1ccc(cc1)[*:1] CC/[NH+]=C(/NCC1(O)CCOCC1)N1CC[C@H](C1)O[*:1]
COc1ccc2c(c1)[C@]([NH3+])(c1noc(C(F)(F)F)n1)CC2 FC(F)(F)[*:1] COc1ccc2CC[C@@]([NH3+])(c3noc(n3)[*:1])c2c1
CCc1cc2c(=O)n(CC3CCCC3)cnc2s1 C1CCC(C1)C[*:1] CCc1cc2c(=O)n(cnc2s1)[*:1]
CCc1cc2c(=O)n(CC3CCCC3)cnc2s1 C1CCC(C1)[*:1] CCc1cc2c(=O)n(cnc2s1)C[*:1]
Cc1noc([C@H](C)OC(=O)[C@@H]2C[C@@H]2C)n1 C[C@H]1C[C@H]1[*:1] Cc1noc(n1)[C@H](C)OC(=O)[*:1]
CC[C@H](C(=O)Nc1nc(C)cs1)n1c(C)cc(C)nc1=O Cc1csc(n1)[*:1] CC[C@H](C(=O)N[*:1])n1c(C)cc(C)nc1=O
CN(Cc1nnc(C2CC2)n1C)C(=O)[C@H]1SCCc2sccc21 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)[C@H]1SCCc2sccc21
C[NH+](C)[C@@H]1N(C(=O)c2cccc(Br)c2)N=C2c3ccccc3S(=O)(=O)N21 Brc1cccc(c1)[*:1] C[NH+](C)[C@@H]1N(N=C2c3ccccc3S(=O)(=O)N21)C(=O)[*:1]
O=C(CN1C(=O)CCc2cc(Br)ccc21)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CN1C(=O)CCc2cc(Br)ccc21)N[*:1]
Nc1cc(Sc2ccc(F)cc2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Nc1cc(cc(c1)[*:1])Sc1ccc(F)cc1
CCN(CC)C(=O)CCC(=O)N[C@H](C)C(C)(C)C CC(C)(C)[*:1] CCN(CC)C(=O)CCC(=O)N[C@H](C)[*:1]
CCN(CC)C(=O)CCC(=O)N[C@H](C)C(C)(C)C C[C@H](C(C)(C)C)[*:1] CCN(CC)C(=O)CCC(=O)N[*:1]
Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)CC1 c1cnn(c1)[*:1] Cc1ccccc1N1CC[NH+](CC1)[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)CC1 Cc1ccccc1[*:1] O=C(c1cccc(c1)-n1cccn1)N1CCC[C@@H](C1)[NH+]1CCN(CC1)[*:1]
Cc1ccsc1CNC(=O)NNC(=O)c1oc2ccccc2c1C Cc1ccsc1C[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)N[*:1]
Cc1ccsc1CNC(=O)NNC(=O)c1oc2ccccc2c1C Cc1ccsc1[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)NC[*:1]
Cc1cccc(NC(=O)c2c([O-])nnc(-c3ccccc3)c2-c2ccccc2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])c1c([O-])nnc(-c2ccccc2)c1-c1ccccc1
Cc1cccc(NC(=O)c2c([O-])nnc(-c3ccccc3)c2-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cccc(n1)NC(=O)c1c([O-])nnc(c1-c1ccccc1)[*:1]
Cc1cccc(NC(=O)c2c([O-])nnc(-c3ccccc3)c2-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cccc(n1)NC(=O)c1c([O-])nnc(-c2ccccc2)c1[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(-c2ccccc2F)s1 Fc1ccccc1[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(s1)[*:1]
C[C@@H](NC(=O)NC(CO)CO)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] C[C@@H](NC(=O)NC(CO)CO)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)NC(CO)CO)c1ccc(-c2cncnc2)cc1 OCC(CO)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)-c1cncnc1
CCCn1ncnc1C[C@H]([NH2+]C)c1cscc1C Cc1cscc1[*:1] CCCn1ncnc1C[C@H]([NH2+]C)[*:1]
CCCn1ncnc1C[C@H]([NH2+]C)c1cscc1C CCC[*:1] C[NH2+][C@@H](Cc1ncnn1[*:1])c1cscc1C
O=C(Nc1nnc(Cc2cccs2)o1)c1ccc([N+](=O)[O-])s1 c1csc(c1)[*:1] O=C(Nc1nnc(C[*:1])o1)c1ccc(s1)[N+](=O)[O-]
O=C(Nc1nnc(Cc2cccs2)o1)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] O=C(Nc1nnc(Cc2cccs2)o1)c1ccc(s1)[*:1]
O=C(Nc1nnc(Cc2cccs2)o1)c1ccc([N+](=O)[O-])s1 c1csc(c1)C[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(s1)[N+](=O)[O-]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCC1(CCC1)[*:1]
O=C(c1csc(Nc2ccccn2)n1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1csc(n1)Nc1ccccn1)N1CCN(CC1)[*:1]
O=C(c1csc(Nc2ccccn2)n1)N1CCN(c2ccc(F)cc2)CC1 c1ccc(nc1)N[*:1] O=C(c1csc(n1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(c1csc(Nc2ccccn2)n1)N1CCN(c2ccc(F)cc2)CC1 c1ccc(nc1)[*:1] O=C(c1csc(n1)N[*:1])N1CCN(CC1)c1ccc(F)cc1
C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(Cl)o1 Clc1ccc(o1)[*:1] C[C@H]1CCCC[C@H]1OCCNC(=O)[*:1]
CC(C)c1ccc(NC(=O)Cn2cnc3sccc3c2=O)cc1 CC(C)[*:1] O=C(Cn1cnc2sccc2c1=O)Nc1ccc(cc1)[*:1]
CCc1ccc(N2C[C@@H](C(=O)NCCCCl)CC2=O)cc1 O=C(NCCCCl)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)[*:1]
CCc1ccc(N2C[C@@H](C(=O)NCCCCl)CC2=O)cc1 ClCCC[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
CCc1ccc(N2C[C@@H](C(=O)NCCCCl)CC2=O)cc1 ClCC[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NC[*:1]
COc1ccc2c(c1)=C(CCNC1=N[C@H](c3ccccc3)N3C(=O)C[C@H](C)N[C@H]3N1)C[NH+]=2 c1ccc(cc1)[*:1] COc1ccc2=[NH+]CC(CCNC3=N[C@H](N4C(=O)C[C@H](C)N[C@H]4N3)[*:1])=c2c1
Cn1ccnc1[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)Cc1csc(n1)-c1ccc(Cl)cc1)[*:1]
Cn1ccnc1[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)Cc1csc(n1)[*:1])c1ccccc1
Cn1ccnc1[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 Cn1ccnc1[*:1] O=C(Cc1csc(n1)-c1ccc(Cl)cc1)N[C@@H](c1ccccc1)[*:1]
CC[C@H](NC(=O)NCc1ccc(C)cc1OC(C)(C)C)c1nccs1 CC(C)(C)[*:1] CC[C@H](NC(=O)NCc1ccc(C)cc1O[*:1])c1nccs1
CC[C@H](NC(=O)NCc1ccc(C)cc1OC(C)(C)C)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)NCc1ccc(C)cc1OC(C)(C)C)[*:1]
CC[C@H](NC(=O)NCc1ccc(C)cc1OC(C)(C)C)c1nccs1 CC(C)(C)O[*:1] CC[C@H](NC(=O)NCc1ccc(C)cc1[*:1])c1nccs1
CCc1ccc(NC(=O)C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 CCc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C(=O)N[*:1])c1nc2ccccc2[nH]1
CCc1ccc(NC(=O)C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 c1ccc2[nH]c(nc2c1)[*:1] CCc1ccc(cc1)NC(=O)C(=O)N[C@H](C(C)C)[*:1]
CCc1ccc(NC(=O)C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)NC(=O)C(=O)N[C@H](c1nc2ccccc2[nH]1)[*:1]
Cc1cc(C)cc(N(Cc2ccc(F)cc2)C2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 Cc1cc(C)cc(c1)[*:1] O=S1(=O)C[C@H]2[NH+]=C(S[C@H]2C1)N(Cc1ccc(F)cc1)[*:1]
Cc1cc(C)cc(N(Cc2ccc(F)cc2)C2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 Fc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)N(C1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2S1)[*:1]
Cc1cc(C)cc(N(Cc2ccc(F)cc2)C2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)N(C[*:1])C1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2S1
COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc2cc(CN(C(=O)[*:1])c3ccccc3C)c(=O)[nH]c2c1
COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)[*:1]
C[C@@H](CC(N)=O)[NH2+]C[C@](C)(O)c1ccc(F)cc1 NC(=O)[*:1] C[C@@H](C[*:1])[NH2+]C[C@](C)(O)c1ccc(F)cc1
C[C@@H](CC(N)=O)[NH2+]C[C@](C)(O)c1ccc(F)cc1 NC(=O)C[*:1] C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)[*:1]
CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(Oc2ccccn2)CC1 CC(C)(C)[*:1] O=C(C[NH+]1CCC(CC1)Oc1ccccn1)N(Cc1ccccc1)[*:1]
CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(Oc2ccccn2)CC1 c1ccc(nc1)[*:1] CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CC1)O[*:1]
CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(Oc2ccccn2)CC1 c1ccc(cc1)C[*:1] CC(C)(C)N(C(=O)C[NH+]1CCC(CC1)Oc1ccccn1)[*:1]
CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(Oc2ccccn2)CC1 c1ccc(cc1)[*:1] CC(C)(C)N(C[*:1])C(=O)C[NH+]1CCC(CC1)Oc1ccccn1
CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(Oc2ccccn2)CC1 c1ccc(nc1)O[*:1] CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CC1)[*:1]
O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1-n1cccn1 Fc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)[*:1])Nc1ccccc1-n1cccn1
O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1-n1cccn1 c1cnn(c1)[*:1] O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1[*:1]
COCC(=O)N1CCC(c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 COC[*:1] Cn1c(=O)c2c(cc(nc2n(C)c1=O)C1CCN(CC1)C(=O)[*:1])C(F)(F)F
COCC(=O)N1CCC(c2cc(C(F)(F)F)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 FC(F)(F)[*:1] COCC(=O)N1CCC(CC1)c1cc(c2c(=O)n(C)c(=O)n(C)c2n1)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccc(F)nc1
Cc1cccc(-n2cc(CN3CC(c4cc[nH+]cc4)C3)cn2)c1 Cc1cccc(c1)[*:1] c1cc(cc[nH+]1)C1CN(Cc2cnn(c2)[*:1])C1
COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc(OC)c1OC c1coc(c1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2[*:1]
Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)[C@@H](C)c2nccs2)no1 c1csc(n1)[*:1] Cc1nc2ccccc2n1Cc1cc(no1)C(=O)N(C)[C@@H](C)[*:1]
CCC1(CNC(=O)NCCc2sc(C)nc2C)CCC1 CCC1(CCC1)[*:1] Cc1nc(C)c(CCNC(=O)NC[*:1])s1
CC[C@@](C)([C@@H](NC)c1cscc1Br)[NH+]1CCCCC1 Brc1cscc1[*:1] CC[C@@](C)([C@@H](NC)[*:1])[NH+]1CCCCC1
C[C@H](COc1ccccc1)OC(=O)[C@H]1CCOc2ccccc21 c1ccc(cc1)[*:1] C[C@H](CO[*:1])OC(=O)[C@H]1CCOc2ccccc21
C[C@H](COc1ccccc1)OC(=O)[C@H]1CCOc2ccccc21 c1ccc(cc1)O[*:1] C[C@H](C[*:1])OC(=O)[C@H]1CCOc2ccccc21
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cn1ccc(=O)n(C)c1=O O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)Cn1ccc(=O)n(C)c1=O)[*:1]
C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1Br c1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)C[*:1])c1ccccc1Br
O=C(c1ccc2nonc2c1)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(c1ccc2nonc2c1)N1CCCC[C@H]1[*:1]
O=C(c1ccc2nonc2c1)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(c1ccc2nonc2c1)N1CCCC[C@@H]1C[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(-n3ccnc3)nc2)c1 c1cn(cn1)[*:1] COc1ccc(c(c1)C(=O)OCc1ccc(nc1)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(-n3ccnc3)nc2)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)OCc1ccc(nc1)-n1ccnc1)[*:1]
Cc1ncc(N)cc1C(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] Cc1ncc(N)cc1C(=O)N(C)C[*:1]
Cc1ncc(N)cc1C(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] Cc1ncc(N)cc1C(=O)N(C)[*:1]
Cc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[*:1])c1C
Cc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)cc1 Cc1cccc(c1C)[*:1] Cc1ccc(cc1)C(=O)N(CC(=O)N[*:1])C[C@H]1CCCO1
CC(C)(CNC(=O)N[C@@H]1C[C@H]1c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N[C@@H]1C[C@H]1c1ccccc1)[*:1]
CC(C)(CNC(=O)N[C@@H]1C[C@H]1c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)N[C@@H]1C[C@@H]1[*:1])c1ccncc1
C/[NH+]=C(\NCc1cccc(F)c1)NCC1CC[NH+](C)CC1 Fc1cccc(c1)[*:1] C/[NH+]=C(/NCC1CC[NH+](C)CC1)NC[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccs1 c1csc(c1)[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccs1 Fc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)c1cccs1
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] Cc1onc(c1C(=O)Nc1ccc(cc1)[*:1])-c1c(F)cccc1Cl
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(CC#N)cc1 Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)Nc1ccc(cc1)CC#N)[*:1]
O=S(=O)(c1ccccc1F)N1CCN(CCO)CC1 OCC[*:1] O=S(=O)(c1ccccc1F)N1CCN(CC1)[*:1]
Cc1cccc(OCCNC(=O)C[NH+]2CC(n3nc(C)cc3C)C2)c1 Cc1cc(C)n(n1)[*:1] Cc1cccc(c1)OCCNC(=O)C[NH+]1CC(C1)[*:1]
Cc1cccc(OCCNC(=O)C[NH+]2CC(n3nc(C)cc3C)C2)c1 Cc1cccc(c1)O[*:1] Cc1cc(C)n(n1)C1C[NH+](CC(=O)NCC[*:1])C1
Cc1cccc(OCCNC(=O)C[NH+]2CC(n3nc(C)cc3C)C2)c1 Cc1cccc(c1)[*:1] Cc1cc(C)n(n1)C1C[NH+](CC(=O)NCCO[*:1])C1
CC(=O)c1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 CC(C)c1noc(n1)[*:1] CC(=O)c1ccc(cc1)NC(=O)COc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 CC(=O)[*:1] CC(C)c1noc(n1)-c1ccc(cc1)OCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)NC(=O)COc1ccc(cc1)-c1nc(no1)[*:1]
CC(=O)c1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 CC(=O)c1ccc(cc1)[*:1] CC(C)c1noc(n1)-c1ccc(cc1)OCC(=O)N[*:1]
C[NH+](C)[C@H](CNCc1cnn(-c2ccc(F)cc2)c1)c1cccc(F)c1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNCc1cnn(c1)[*:1])c1cccc(F)c1
C[NH+](C)[C@H](CNCc1cnn(-c2ccc(F)cc2)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@H](CNCc1cnn(c1)-c1ccc(F)cc1)[*:1]
COc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1)[*:1]
COc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1
COc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1
Cc1nc(C)c(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)s1 Clc1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)Nc1cnn(c1)C[*:1]
Cc1nc(C)c(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)s1 Cc1nc(C)c(s1)[*:1] O=C(Nc1cnn(c1)Cc1ccc(Cl)cc1)[*:1]
CC1=NC(c2ccccc2)=NC(=O)[C@@H]1CCC(=O)Nc1cnc2c(c1)CNN2C(C)C CC(C)[*:1] CC1=NC(=NC(=O)[C@@H]1CCC(=O)Nc1cnc2c(c1)CNN2[*:1])c1ccccc1
CC1=NC(c2ccccc2)=NC(=O)[C@@H]1CCC(=O)Nc1cnc2c(c1)CNN2C(C)C c1ccc(cc1)[*:1] CC1=NC(=NC(=O)[C@@H]1CCC(=O)Nc1cnc2c(c1)CNN2C(C)C)[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(Br)cc1F
CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1OCC Fc1cc(Br)ccc1[*:1] CCOc1ccc(cc1OCC)S(=O)(=O)N[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])S(=O)(=O)Nc1ccc(Br)cc1F
Cc1n[nH]c(-c2cccc(CNC(=O)[C@H]3CC=CCC3)c2)n1 Cc1n[nH]c(n1)[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1CC=CCC1
CC(=O)NCC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)NCC(=O)c1ccc(cc1)[*:1]
CC(=O)NCC(=O)c1ccc([N+](=O)[O-])cc1 CC(=O)N[*:1] O=C(C[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(=O)NCC(=O)c1ccc([N+](=O)[O-])cc1 CC(=O)NC[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(NC1CCN(C(=O)NCc2ccccc2)CC1)c1cc2ccoc2s1 c1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)NC[*:1])c1cc2ccoc2s1
O=C(NC1CCN(C(=O)NCc2ccccc2)CC1)c1cc2ccoc2s1 c1ccc(cc1)C[*:1] O=C(NC1CCN(CC1)C(=O)N[*:1])c1cc2ccoc2s1
Cc1ccc(NC(=S)NNC(=O)CNC(=O)c2ccc3c(c2)CCC3)c(C)c1 c1cc2CCCc2cc1[*:1] Cc1ccc(NC(=S)NNC(=O)CNC(=O)[*:1])c(C)c1
Cc1ccc(NC(=S)NNC(=O)CNC(=O)c2ccc3c(c2)CCC3)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CNC(=O)c1ccc2CCCc2c1)NNC(=S)N[*:1]
CC(=O)N[C@@H](C(=O)N[C@H]1CCSc2c(F)cccc21)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)N[C@H]1CCSc2c(F)cccc21)[*:1]
CC(=O)N[C@@H](C(=O)N[C@H]1CCSc2c(F)cccc21)C1CCCC1 CC(=O)N[*:1] O=C(N[C@H]1CCSc2c(F)cccc21)[C@@H](C1CCCC1)[*:1]
Cn1c(=O)ccn(CC(=O)OC[C@H]2CCCCO2)c1=O C1CC[C@@H](OC1)[*:1] Cn1c(=O)ccn(CC(=O)OC[*:1])c1=O
COC[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C)C(N)=O COC[*:1] CC(C)c1c(cnn1-c1ccc(Cl)cc1)C(=O)N[C@@H](C(N)=O)[*:1]
COC[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C)[*:1]
COC[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C)C(N)=O CC(C)[*:1] COC[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1[*:1])C(N)=O
COC[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C)C(N)=O Clc1ccc(cc1)[*:1] COC[C@@H](NC(=O)c1cnn(c1C(C)C)[*:1])C(N)=O
CCC[C@@]1(Cc2cccc(C(F)(F)F)c2)CCC[NH2+]1 CCC[*:1] FC(F)(F)c1cccc(c1)C[C@]1(CCC[NH2+]1)[*:1]
CCC[C@@]1(Cc2cccc(C(F)(F)F)c2)CCC[NH2+]1 FC(F)(F)[*:1] CCC[C@]1(CCC[NH2+]1)Cc1cccc(c1)[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CC(C)C)c2cccs2)C1 c1csc(c1)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](CC(C)C)[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CC(C)C)c2cccs2)C1 CC(C)C[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](c1cccs1)[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CC(C)C)c2cccs2)C1 CC(C)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](C[*:1])c1cccs1
O=C(N[C@H]1CCN(c2ccccc2)C1)N1CCc2cc(F)ccc2C1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1)[*:1])N1CCc2cc(F)ccc2C1
NS(=O)(=O)c1ccc(NC2=CC(=O)N(CCc3ccccc3)C2=O)cc1 c1ccc(cc1)C[*:1] NS(=O)(=O)c1ccc(cc1)NC1=CC(=O)N(C[*:1])C1=O
NS(=O)(=O)c1ccc(NC2=CC(=O)N(CCc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC1=CC(=O)N(CC[*:1])C1=O
NS(=O)(=O)c1ccc(NC2=CC(=O)N(CCc3ccccc3)C2=O)cc1 c1ccc(cc1)CC[*:1] NS(=O)(=O)c1ccc(cc1)NC1=CC(=O)N(C1=O)[*:1]
NS(=O)(=O)c1ccc(NC2=CC(=O)N(CCc3ccccc3)C2=O)cc1 NS(=O)(=O)[*:1] O=C1C=C(Nc2ccc(cc2)[*:1])C(=O)N1CCc1ccccc1
Cc1n[nH]cc1CNC(=O)c1cc2c(s1)CC[C@H](C)C2 Cc1n[nH]cc1[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)NC[*:1]
O=C1NC(c2ccc(Br)cc2)=N/C1=C/c1ccccc1 c1ccc(cc1)[*:1] O=C1NC(=NC1=C[*:1])c1ccc(Br)cc1
Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C)CC4)n(Cc4ccccc4)c3nc12 CN1CCN(CC1)C(=O)[*:1] Cc1cccn2c(=O)c3cc(n(Cc4ccccc4)c3nc12)[*:1]
Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C)CC4)n(Cc4ccccc4)c3nc12 c1ccc(cc1)C[*:1] Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C)CC4)n(c3nc12)[*:1]
Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C)CC4)n(Cc4ccccc4)c3nc12 c1ccc(cc1)[*:1] Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C)CC4)n(C[*:1])c3nc12
Cc1ccc(NCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH+]c1 O=[N+]([O-])[*:1] Cc1ccc(NCCCNC(=O)c2cc(Cl)ccc2[*:1])[nH+]c1
CC(C)N(C[C@H]1CCCCO1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O CC(C)[*:1] O=C1[C@H]2CCCC[C@@H]2C(=O)N1CC(=O)N(C[C@H]1CCCCO1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O
O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl Clc1ccc(cc1)[*:1] O=C(CCCS(=O)(=O)[*:1])Nc1cccc(Cl)c1Cl
O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[*:1]
CCOc1ccccc1CNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21 CCO[*:1] CC(C)(C)c1ccc2OCC(=O)N(CC(=O)NCc3ccccc3[*:1])c2c1
CCOc1ccccc1CNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21 CCOc1ccccc1[*:1] CC(C)(C)c1ccc2OCC(=O)N(CC(=O)NC[*:1])c2c1
CCOc1ccccc1CNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21 CC(C)(C)[*:1] CCOc1ccccc1CNC(=O)CN1C(=O)COc2ccc(cc21)[*:1]
COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(CC1)[*:1]
COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1 COC(=O)[*:1] O=C(CN1CCN(CC1)c1ccc(Cl)cc1)Nc1c([nH]c2cccc(Cl)c12)[*:1]
CCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1 CCC(=O)N[*:1] COc1ccc(cc1OC)Cc1nnc(s1)[*:1]
CCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1nnc(-c2ccncc2)s1 c1cc(ccn1)[*:1] CCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1nnc(s1)[*:1]
Cc1cc(C)n(-c2ccc(NCC(=O)NC3(C#N)CCCCC3)cc2F)n1 N#CC1(CCCCC1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)NCC(=O)N[*:1]
Cc1cc(C)n(-c2ccc(NCC(=O)NC3(C#N)CCCCC3)cc2F)n1 Cc1cc(C)n(n1)[*:1] N#CC1(CCCCC1)NC(=O)CNc1ccc(c(F)c1)[*:1]
O=C1N=C(SCc2cccc(F)c2)N=C2[C@@H]1SC(=S)N2c1ccc(Cl)cc1 Fc1cccc(c1)C[*:1] O=C1N=C(N=C2[C@@H]1SC(=S)N2c1ccc(Cl)cc1)S[*:1]
O=C1N=C(SCc2cccc(F)c2)N=C2[C@@H]1SC(=S)N2c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1N=C(N=C2[C@@H]1SC(=S)N2[*:1])SCc1cccc(F)c1
O=C1N=C(SCc2cccc(F)c2)N=C2[C@@H]1SC(=S)N2c1ccc(Cl)cc1 Fc1cccc(c1)[*:1] O=C1N=C(N=C2[C@@H]1SC(=S)N2c1ccc(Cl)cc1)SC[*:1]
CC(C)Oc1ccc(NC(=O)[C@@H]2CN(C)CCO2)c(F)c1 CC(C)O[*:1] CN1CCO[C@@H](C1)C(=O)Nc1ccc(cc1F)[*:1]
CC(C)Oc1ccc(NC(=O)[C@@H]2CN(C)CCO2)c(F)c1 CC(C)[*:1] CN1CCO[C@@H](C1)C(=O)Nc1ccc(cc1F)O[*:1]
CCC[C@H]1C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 CCC[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H]1C[C@@H]1[*:1]
CCC[C@H]1C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 Cc1ccc(cc1C)[*:1] CCC[C@H]1C[C@@H]1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(Br)cnc1NCc1cccc(OCC(F)F)n1 FC(F)C[*:1] Cc1cc(Br)cnc1NCc1cccc(n1)O[*:1]
Cc1cc(Br)cnc1NCc1cccc(OCC(F)F)n1 FC(F)CO[*:1] Cc1cc(Br)cnc1NCc1cccc(n1)[*:1]
Cc1cc(Br)cnc1NCc1cccc(OCC(F)F)n1 FC(F)[*:1] Cc1cc(Br)cnc1NCc1cccc(n1)OC[*:1]
COc1cc2c(cc1NC(=O)C[C@H](O)c1ccccc1)oc1ccccc12 O[C@H](c1ccccc1)[*:1] COc1cc2c(cc1NC(=O)C[*:1])oc1ccccc12
COc1cc2c(cc1NC(=O)C[C@H](O)c1ccccc1)oc1ccccc12 O[C@@H](C[*:1])c1ccccc1 COc1cc2c(cc1NC(=O)[*:1])oc1ccccc12
COc1cc2c(cc1NC(=O)C[C@H](O)c1ccccc1)oc1ccccc12 c1ccc(cc1)[*:1] COc1cc2c(cc1NC(=O)C[C@H](O)[*:1])oc1ccccc12
CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1cc2cccn2cn1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccccc1NC(=O)c1cc2cccn2cn1)[*:1]
CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1cc2cccn2cn1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccccc1NC(=O)c1cc2cccn2cn1
C#CCN1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 C#CC[*:1] O=[N+]([O-])c1c(F)cccc1N1CCN(CC1)[*:1]
C#CCN1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C#CCN1CCN(CC1)c1cccc(F)c1[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)/C=C/c2cccs2)C[C@H](C)O1 c1csc(c1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(C)(C)CNC(=O)C=C[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)/C=C/c2cccs2)C[C@H](C)O1 C(=C[*:1])c1cccs1 C[C@H]1CN(C[C@H](C)O1)C(C)(C)CNC(=O)[*:1]
COc1cc(/C=C2/N=C(/C=C\c3ccccc3)OC2=O)cc(OC)c1OC C(=C[*:1])c1ccccc1 COc1cc(/C=C2/N=C(OC2=O)[*:1])cc(OC)c1OC
COc1cc(/C=C2/N=C(/C=C\c3ccccc3)OC2=O)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(/C=C2/N=C(/C=C[*:1])OC2=O)cc(OC)c1OC
CC(C)CN(C(=O)CN1CCn2cccc2[C@@H]1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CC(C)CN(C(=O)CN1CCn2cccc2[C@@H]1C)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CC(C)CN(C(=O)CN1CCn2cccc2[C@@H]1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O CC(C)C[*:1] C[C@H]1c2cccn2CCN1CC(=O)N(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)[*:1]
CC(C)CN(C(=O)CN1CCn2cccc2[C@@H]1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O CC(C)[*:1] C[C@H]1c2cccn2CCN1CC(=O)N(C[*:1])c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
CC(C)CN(C(=O)CN1CCn2cccc2[C@@H]1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CC(C)CN(C(=O)CN1CCn2cccc2[C@@H]1C)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CC(C)C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C CC(C)[*:1] C[NH+](C)C[C@H]1CCCN1C(=O)[C@H](C[NH3+])C[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C CC(C)C[*:1] C[NH+](C)C[C@H]1CCCN1C(=O)[C@H](C[NH3+])[*:1]
Cc1ccc([C@H]([NH2+]CCNC(=O)c2ccccc2)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC[NH2+][C@H](C1CC1)[*:1])c1ccccc1
Cc1ccc([C@H]([NH2+]CCNC(=O)c2ccccc2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H]([NH2+]CCNC(=O)c1ccccc1)[*:1]
Cc1ccc([C@H]([NH2+]CCNC(=O)c2ccccc2)C2CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]([NH2+]CCNC(=O)[*:1])C1CC1
COc1ccc(C(=O)Nc2nc(CC(=O)N3CCOCC3)cs2)cc1OC O=C(C[*:1])N1CCOCC1 COc1ccc(cc1OC)C(=O)Nc1nc(cs1)[*:1]
COc1ccc(C(=O)Nc2nc(CC(=O)N3CCOCC3)cs2)cc1OC O=C(N1CCOCC1)[*:1] COc1ccc(cc1OC)C(=O)Nc1nc(cs1)C[*:1]
COCCN(CC(C)C)C(=O)c1ccncc1Cl COC[*:1] CC(C)CN(C[*:1])C(=O)c1ccncc1Cl
COCCN(CC(C)C)C(=O)c1ccncc1Cl CC(C)[*:1] COCCN(C[*:1])C(=O)c1ccncc1Cl
COCCN(CC(C)C)C(=O)c1ccncc1Cl CC(C)C[*:1] COCCN(C(=O)c1ccncc1Cl)[*:1]
COCCN(CC(C)C)C(=O)c1ccncc1Cl COCC[*:1] CC(C)CN(C(=O)c1ccncc1Cl)[*:1]
COC(=O)c1sc(NC(=O)C#Cc2ccccc2)nc1C1CC1 C1CC1[*:1] COC(=O)c1sc(nc1[*:1])NC(=O)C#Cc1ccccc1
COC(=O)c1sc(NC(=O)C#Cc2ccccc2)nc1C1CC1 c1ccc(cc1)[*:1] COC(=O)c1sc(nc1C1CC1)NC(=O)C#C[*:1]
COC(=O)c1sc(NC(=O)C#Cc2ccccc2)nc1C1CC1 COC(=O)[*:1] O=C(C#Cc1ccccc1)Nc1nc(c(s1)[*:1])C1CC1
CC(=O)NCCNS(=O)(=O)c1cccc2cc(C)cnc12 CC(=O)NCC[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N[*:1]
CC(=O)NCCNS(=O)(=O)c1cccc2cc(C)cnc12 CC(=O)N[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)NCC[*:1]
CC(=O)NCCNS(=O)(=O)c1cccc2cc(C)cnc12 CC(=O)NC[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)NC[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2nc(CC(N)=O)cs2)ccn1 CC(C)(C)O[*:1] NC(=O)Cc1csc(n1)NC(=O)c1ccnc(c1)[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2nc(CC(N)=O)cs2)ccn1 CC(C)(C)[*:1] NC(=O)Cc1csc(n1)NC(=O)c1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2nc(CC(N)=O)cs2)ccn1 NC(=O)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)Nc1nc(cs1)C[*:1]
CC(C)(C)Oc1cc(C(=O)Nc2nc(CC(N)=O)cs2)ccn1 NC(=O)C[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)Nc1nc(cs1)[*:1]
CCCOC[C@@H](Cc1nccs1)[NH2+]C CCCO[*:1] C[NH2+][C@H](Cc1nccs1)C[*:1]
CCCOC[C@@H](Cc1nccs1)[NH2+]C CCC[*:1] C[NH2+][C@@H](CO[*:1])Cc1nccs1
O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1)NC1CCCCCC1 Clc1ccc(c(Cl)c1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])NC1CCCCCC1
O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1ccc(Cl)cc1Cl)N[*:1]
Cc1cccc(-n2ncc(C[NH2+]C3CC3)c2C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)-n1ncc(C[NH2+]C2CC2)c1[*:1]
Cc1cccc(-n2ncc(C[NH2+]C3CC3)c2C(C)C)c1 C1CC1[*:1] Cc1cccc(c1)-n1ncc(C[NH2+][*:1])c1C(C)C
CCOc1ccc(Cn2cnc3ccccc3c2=O)nc1 CCO[*:1] O=c1c2ccccc2ncn1Cc1ccc(cn1)[*:1]
CC(C)NC(=O)CN(C)C(=O)c1cccc(F)c1 CC(C)[*:1] CN(CC(=O)N[*:1])C(=O)c1cccc(F)c1
CC(C)NC(=O)CN(C)C(=O)c1cccc(F)c1 CC(C)NC(=O)[*:1] CN(C[*:1])C(=O)c1cccc(F)c1
CC[C@@H]1C=CC[C@@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@@H]21 O=C([O-])[*:1] CC[C@@H]1C=CC[C@@H]2C(=O)N(CCC[*:1])C(=O)[C@@H]21
CC[C@@H]1C=CC[C@@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@@H]21 O=C([O-])CC[*:1] CC[C@@H]1C=CC[C@@H]2C(=O)N(C[*:1])C(=O)[C@@H]21
CC[C@@H]1C=CC[C@@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@@H]21 O=C([O-])C[*:1] CC[C@@H]1C=CC[C@@H]2C(=O)N(CC[*:1])C(=O)[C@@H]21
CC[C@@H]1C=CC[C@@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@@H]21 O=C([O-])CCC[*:1] CC[C@@H]1C=CC[C@@H]2C(=O)N(C(=O)[C@@H]21)[*:1]
Cc1nc(Nc2nccs2)cc([C@H]2CCCN2C(=O)c2cccnc2)n1 c1csc(n1)N[*:1] Cc1nc(cc(n1)[*:1])[C@H]1CCCN1C(=O)c1cccnc1
Cc1nc(Nc2nccs2)cc([C@H]2CCCN2C(=O)c2cccnc2)n1 c1csc(n1)[*:1] Cc1nc(cc(n1)[C@H]1CCCN1C(=O)c1cccnc1)N[*:1]
Cc1nc(Nc2nccs2)cc([C@H]2CCCN2C(=O)c2cccnc2)n1 c1cncc(c1)[*:1] Cc1nc(cc(n1)[C@H]1CCCN1C(=O)[*:1])Nc1nccs1
NNC(=O)c1cccc(OCCSc2cccc(N)c2)c1 Nc1cccc(c1)[*:1] NNC(=O)c1cccc(c1)OCCS[*:1]
NNC(=O)c1cccc(OCCSc2cccc(N)c2)c1 NNC(=O)[*:1] Nc1cccc(c1)SCCOc1cccc(c1)[*:1]
CCC1(CNC(=O)C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)CC1 CCC1(CC1)[*:1] Cc1c(nn(-c2ccccc2)c1NC(=O)C(=O)NC[*:1])C1CC1
CCC1(CNC(=O)C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC1(CC1)CNC(=O)C(=O)Nc1c(C)c(nn1[*:1])C1CC1
CCC1(CNC(=O)C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)CC1 CCC1(CC1)C[*:1] Cc1c(nn(-c2ccccc2)c1NC(=O)C(=O)N[*:1])C1CC1
CCC1(CNC(=O)C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)CC1 C1CC1[*:1] CCC1(CC1)CNC(=O)C(=O)Nc1c(C)c(nn1-c1ccccc1)[*:1]
CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](C)C2)[C@]12C(=O)Nc1ccccc12 CCOC(=O)[*:1] C[C@H]1CC(=O)C2=C(C1)OC(N)=C([C@@]21C(=O)Nc2ccccc21)[*:1]
CN1CCN(C(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)CC1 FC(F)(F)C[*:1] CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)O[*:1]
CN1CCN(C(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)CC1 FC(F)(F)[*:1] CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)OC[*:1]
COc1cccc(C(=O)NCc2ncn(C)n2)c1O Cn1cnc(n1)[*:1] COc1cccc(C(=O)NC[*:1])c1O
COc1ccccc1COC1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 N#Cc1ccc(F)c(c1)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)NC[*:1]
COc1ccccc1COC1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 COc1ccccc1[*:1] N#Cc1ccc(F)c(c1)CNC(=O)N1CCC(CC1)OC[*:1]
COc1ccccc1COC1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 COc1ccccc1C[*:1] N#Cc1ccc(F)c(c1)CNC(=O)N1CCC(CC1)O[*:1]
Cc1c(C(=O)NCc2ccccn2)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(nnn1[*:1])C(=O)NCc1ccccn1
Cc1c(C(=O)NCc2ccccn2)nnn1-c1cccc(Cl)c1 c1ccc(C[*:1])nc1 Cc1c(nnn1-c1cccc(Cl)c1)C(=O)N[*:1]
Cc1c(C(=O)NCc2ccccn2)nnn1-c1cccc(Cl)c1 c1ccc(nc1)[*:1] Cc1c(nnn1-c1cccc(Cl)c1)C(=O)NC[*:1]
CC(C)(C)n1cnnc1SCCOc1cccc(F)c1 CC(C)(C)[*:1] Fc1cccc(c1)OCCSc1nncn1[*:1]
C[C@H]1CC(C(=O)Oc2cccc(-n3cccn3)c2)C[C@H](C)O1 c1cnn(c1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Oc1cccc(c1)[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] CO[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1cccc(c1)[*:1]
CN(C)c1nc(CNC(=O)NCc2ccc(Cn3ccnc3)cc2)cs1 c1cn(cn1)[*:1] CN(C)c1nc(cs1)CNC(=O)NCc1ccc(cc1)C[*:1]
CN(C)c1nc(CNC(=O)NCc2ccc(Cn3ccnc3)cc2)cs1 CN(C)c1nc(cs1)[*:1] O=C(NCc1ccc(cc1)Cn1ccnc1)NC[*:1]
CN(C)c1nc(CNC(=O)NCc2ccc(Cn3ccnc3)cc2)cs1 CN(C)[*:1] O=C(NCc1ccc(cc1)Cn1ccnc1)NCc1csc(n1)[*:1]
CN(C)c1nc(CNC(=O)NCc2ccc(Cn3ccnc3)cc2)cs1 c1cn(cn1)C[*:1] CN(C)c1nc(cs1)CNC(=O)NCc1ccc(cc1)[*:1]
O=C(Nc1ccc(F)c(F)c1F)N1CCCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(F)c(F)c1F)N1CCCC[C@@H]1[*:1]
O=C(Nc1ccc(F)c(F)c1F)N1CCCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(F)c1F)N1CCCC[C@H]1C[*:1]
O=C(NCCCn1cccc1)c1ccc(CN2CCc3ccccc3C2)cc1 c1ccn(c1)CC[*:1] O=C(NC[*:1])c1ccc(cc1)CN1CCc2ccccc2C1
O=C(NCCCn1cccc1)c1ccc(CN2CCc3ccccc3C2)cc1 c1ccn(c1)[*:1] O=C(NCCC[*:1])c1ccc(cc1)CN1CCc2ccccc2C1
O=C(NCCCn1cccc1)c1ccc(CN2CCc3ccccc3C2)cc1 c1ccn(c1)C[*:1] O=C(NCC[*:1])c1ccc(cc1)CN1CCc2ccccc2C1
O=C(NCCCn1cccc1)c1ccc(CN2CCc3ccccc3C2)cc1 c1ccn(c1)CCC[*:1] O=C(N[*:1])c1ccc(cc1)CN1CCc2ccccc2C1
CCc1noc(CC)c1CNC(=O)N[C@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CCc1noc(CC)c1CNC(=O)N[C@H]1CCN(C1)[*:1]
CC(C)CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 CC(C)[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)C[*:1]
CC(C)CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 CC(C)C[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)[*:1]
O=C(Nc1ccccc1N1C(=O)CCC1=O)C1CCC1 C1CC(C1)[*:1] O=C1CCC(=O)N1c1ccccc1NC(=O)[*:1]
CCc1nc(CS(=O)(=O)CC(F)(F)F)cs1 FC(F)(F)C[*:1] CCc1nc(cs1)CS(=O)(=O)[*:1]
CCc1nc(CS(=O)(=O)CC(F)(F)F)cs1 FC(F)(F)[*:1] CCc1nc(cs1)CS(=O)(=O)C[*:1]
C=CCN(CC=C)C[C@@H]1CCCC(C)(C)[C@H]1[NH2+]C C=CC[*:1] C=CCN(C[C@@H]1CCCC(C)(C)[C@H]1[NH2+]C)[*:1]
Cc1nc(SCC(=O)NC2CCCCC2)n(-c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1nc(SCC(=O)NC2CCCCC2)n(c1C)[*:1]
Cc1nc(SCC(=O)NC2CCCCC2)n(-c2ccccc2)c1C C1CCC(CC1)[*:1] Cc1nc(SCC(=O)N[*:1])n(-c2ccccc2)c1C
O=C(Cc1cccc(Cl)c1)NCC[S@@](=O)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cccc(Cl)c1)NCC[S@@](=O)C[*:1]
O=C(Cc1cccc(Cl)c1)NCC[S@@](=O)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1cccc(Cl)c1)NCC[S@@](=O)[*:1]
O=C(Cc1cccc(Cl)c1)NCC[S@@](=O)Cc1ccccc1 Clc1cccc(c1)[*:1] O=C(C[*:1])NCC[S@@](=O)Cc1ccccc1
Cc1ccn2/c(=N/C(=O)[C@@H]3CSCN3C(=O)C3CCCC3)[nH]nc2c1 C1CCC(C1)[*:1] Cc1ccn2/c(=N/C(=O)[C@@H]3CSCN3C(=O)[*:1])[nH]nc2c1
CC(C)COc1cccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 CC(C)C[*:1] O=C(Nc1ccc(O)c(c1)C(=O)[O-])c1cccc(c1)O[*:1]
CC(C)COc1cccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] CC(C)COc1cccc(c1)C(=O)Nc1ccc(O)c(c1)[*:1]
CC(C)COc1cccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 CC(C)CO[*:1] O=C(Nc1ccc(O)c(c1)C(=O)[O-])c1cccc(c1)[*:1]
CC(C)COc1cccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 CC(C)[*:1] O=C(Nc1ccc(O)c(c1)C(=O)[O-])c1cccc(c1)OC[*:1]
CCC[C@H]1CCN(C(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)C1 c1ccc(cc1)C[*:1] CCC[C@H]1CCN(C1)C(=O)c1coc(CN2CC[NH+](CC2)[*:1])n1
CCC[C@H]1CCN(C(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)C1 c1ccc(cc1)[*:1] CCC[C@H]1CCN(C1)C(=O)c1coc(CN2CC[NH+](CC2)C[*:1])n1
CCC[C@H]1CCN(C(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)C1 CCC[*:1] O=C(c1coc(CN2CC[NH+](CC2)Cc2ccccc2)n1)N1CC[C@@H](C1)[*:1]
COc1cccc(C[S@@](=O)Cc2ccon2)c1 c1cc(no1)[*:1] COc1cccc(c1)C[S@@](=O)C[*:1]
Cn1cnc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CCOCC2)c1 Cn1cnc(c1)[*:1] O=S(=O)(NC1(CCOCC1)c1ccc(Cl)cc1)[*:1]
Cn1cnc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CCOCC2)c1 Clc1ccc(cc1)[*:1] Cn1cnc(c1)S(=O)(=O)NC1(CCOCC1)[*:1]
CCn1c(C(=O)NC2CCCCCC2)cc2cc(S(=O)(=O)N(C)C)ccc21 C1CCCC(CC1)[*:1] CCn1c(cc2cc(ccc21)S(=O)(=O)N(C)C)C(=O)N[*:1]
CCn1c(C(=O)NC2CCCCCC2)cc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] CCn1c(cc2cc(ccc21)[*:1])C(=O)NC1CCCCCC1
O=C(NC[C@@H]1COc2ccccc2C1)c1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1COc2ccccc2C1)c1cnn(n1)[*:1]
Cc1nc(N)nc(C(Cl)(Cl)Cl)n1 ClC(Cl)(Cl)[*:1] Cc1nc(N)nc(n1)[*:1]
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cncc2ccccc12 O=[N+]([O-])[*:1] O=C(Cn1ccc(n1)[*:1])Nc1cncc2ccccc12
CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)C1 Cc1csc(n1)[*:1] CC[NH+](CC)[C@H]1CCN(C1)C(=O)N[C@@H](C1CC1)[*:1]
CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)C1 C1CC1[*:1] CC[NH+](CC)[C@H]1CCN(C1)C(=O)N[C@@H](c1nc(C)cs1)[*:1]
O=[N+]([O-])c1ccc(/C=[NH+]/[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(cc1)[C@H](O)[C@H](CO)/[NH+]=C/c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(/C=[NH+]/[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(/C=[NH+]/[C@@H](CO)[C@@H](O)c2ccc(cc2)[*:1])cc1
COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(Cl)cccc3s2)cc1 COc1ccc(cc1)[*:1] O=C(CCCS(=O)(=O)[*:1])Nc1nc2c(Cl)cccc2s1
COC(=O)C1=C(N)OC2=C(CC(=O)C(C)(C)C2)[C@@]12C(=O)Nc1ccccc12 COC(=O)[*:1] CC1(C)CC2OC(N)=C([C@]3(C(=O)Nc4ccccc43)C=2CC1=O)[*:1]
CCC(=O)c1ccc(NC(C)=O)s1 CC(=O)N[*:1] CCC(=O)c1ccc(s1)[*:1]
CCC(=O)c1ccc(NC(C)=O)s1 CCC(=O)[*:1] CC(=O)Nc1ccc(s1)[*:1]
CSCC(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccccc1 CSC[*:1] O=C(NNC(=O)[*:1])N[C@@H]1C[C@H]1c1ccccc1
CSCC(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CSCC(=O)NNC(=O)N[C@@H]1C[C@@H]1[*:1]
CC[C@@H](C)c1cc(C(=O)NCc2ccc[nH]2)on1 c1c[nH]c(c1)[*:1] CC[C@@H](C)c1cc(on1)C(=O)NC[*:1]
CC[C@@H](C)c1cc(C(=O)NCc2ccc[nH]2)on1 CC[C@@H](C)[*:1] O=C(NCc1ccc[nH]1)c1cc(no1)[*:1]
CC[C@@H](C)c1cc(C(=O)NCc2ccc[nH]2)on1 c1c[nH]c(c1)C[*:1] CC[C@@H](C)c1cc(on1)C(=O)N[*:1]
O=C(NCCc1c[nH]c2ccccc12)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(NC[*:1])c1ccc(cc1)NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1
O=C(NCCc1c[nH]c2ccccc12)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])c1ccc(cc1)NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1
CC(C)COC(=O)/C=C/c1nc2ccccc2s1 CC(C)[*:1] O=C(/C=C/c1nc2ccccc2s1)OC[*:1]
CC(C)COC(=O)/C=C/c1nc2ccccc2s1 CC(C)C[*:1] O=C(/C=C/c1nc2ccccc2s1)O[*:1]
Nc1c(NCCCN2CCOCC2)ncnc1Nc1cc(F)ccc1F C1CN(CCO1)CC[*:1] Nc1c(ncnc1Nc1cc(F)ccc1F)NC[*:1]
Nc1c(NCCCN2CCOCC2)ncnc1Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] Nc1c(ncnc1N[*:1])NCCCN1CCOCC1
Nc1c(NCCCN2CCOCC2)ncnc1Nc1cc(F)ccc1F C1CN(CCO1)[*:1] Nc1c(ncnc1Nc1cc(F)ccc1F)NCCC[*:1]
Nc1c(NCCCN2CCOCC2)ncnc1Nc1cc(F)ccc1F C1CN(CCO1)C[*:1] Nc1c(ncnc1Nc1cc(F)ccc1F)NCC[*:1]
Cc1cc(C(=O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)o2)c(C)s1 O=S1(=O)CC[C@H](C1)[*:1] Cc1cc(C(=O)CSc2nnc(o2)[*:1])c(C)s1
Cc1cc(C(=O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)o2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CSc1nnc(o1)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2nnc3ccccn23)cn1 Cc1ccc(cn1)[*:1] C[C@H](NC(=O)[*:1])c1nnc2ccccn12
C[C@@H]1CN(C(=O)CCc2ccc(Cl)s2)C[C@H]1N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]1CN(C[C@@H]1[*:1])C(=O)CCc1ccc(Cl)s1
C[C@@H]1CN(C(=O)CCc2ccc(Cl)s2)C[C@H]1N1CCOCC1 Clc1ccc(s1)[*:1] C[C@@H]1CN(C[C@H]1N1CCOCC1)C(=O)CC[*:1]
C[C@@H]1CN(C(=O)CCc2ccc(Cl)s2)C[C@H]1N1CCOCC1 Clc1ccc(C[*:1])s1 C[C@@H]1CN(C[C@H]1N1CCOCC1)C(=O)C[*:1]
CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(OC)c(F)c1 C1CC1[*:1] CC[C@@H]1CN(CC[C@H]1[NH2+]Cc1ccc(OC)c(F)c1)C(=O)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cncc(C)c1 CCS[*:1] Cc1cncc(c1)NC(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCOc1ccc(C(=O)c2ccccc2C)c(Br)c1 CCO[*:1] Cc1ccccc1C(=O)c1ccc(cc1Br)[*:1]
CC1=C(CCC(=O)[O-])N=N[C@H]1C O=C([O-])[*:1] CC1=C(CC[*:1])N=N[C@H]1C
CC1=C(CCC(=O)[O-])N=N[C@H]1C O=C([O-])C[*:1] CC1=C(C[*:1])N=N[C@H]1C
COc1ccc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c(O)c1 C1CN(CCO1)[*:1] COc1ccc(C(=O)N2CCC[C@@H]2C[*:1])c(O)c1
COc1ccc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c(O)c1 C1CN(CCO1)C[*:1] COc1ccc(C(=O)N2CCC[C@H]2[*:1])c(O)c1
CNC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 Clc1ccc(c(Cl)c1)[*:1] CNC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
CNC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 CNC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])c1ccc(Cl)cc1Cl
Cc1cc(F)cc(C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 Cc1cc(F)cc(c1)[*:1] O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1cc(F)cc(C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] Cc1cc(F)cc(c1)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[*:1]
C[C@H]1CCCCN1c1cc([C@@H](C)O)cc[nH+]1 C[C@@H](O)[*:1] C[C@H]1CCCCN1c1cc(cc[nH+]1)[*:1]
CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]2C=CC3(CC3)[C@@H]12 O=[N+]([O-])[*:1] CC(=O)C1=NN(c2ccc(cc2)[*:1])[C@@H]2C=CC3(CC3)[C@@H]12
CCN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)c1ccc(Br)cn1 Brc1ccc(nc1)[*:1] CCN(C(=O)C1CCC(=O)N(Cc2ccccc2)N=1)[*:1]
CCN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)c1ccc(Br)cn1 c1ccc(cc1)[*:1] CCN(C(=O)C1CCC(=O)N(C[*:1])N=1)c1ccc(Br)cn1
CCN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)c1ccc(Br)cn1 c1ccc(cc1)C[*:1] CCN(C(=O)C1CCC(=O)N(N=1)[*:1])c1ccc(Br)cn1
COc1cccc(CCc2nnc(NC(=O)Cc3c(C)noc3C)s2)c1 Cc1noc(C)c1[*:1] COc1cccc(c1)CCc1nnc(NC(=O)C[*:1])s1
COc1cccc(CCc2nnc(NC(=O)Cc3c(C)noc3C)s2)c1 Cc1noc(C)c1C[*:1] COc1cccc(c1)CCc1nnc(NC(=O)[*:1])s1
COc1cccc(CCc2nnc(NC(=O)Cc3c(C)noc3C)s2)c1 COc1cccc(c1)[*:1] Cc1noc(C)c1CC(=O)Nc1nnc(CC[*:1])s1
COc1cccc([C@@H]2N=[NH+]C(=S)N2/N=C/c2cccs2)c1 c1csc(c1)[*:1] COc1cccc(c1)[C@@H]1N=[NH+]C(=S)N1N=C[*:1]
COc1ccc(OCc2noc(CN3C[C@@H](C)OC[C@H]3C)n2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CN(Cc2nc(CO[*:1])no2)[C@H](C)CO1
CSCC[C@H](C)N(C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 CSCC[*:1] C[C@H](N(C)C(=O)N[C@H]1CCN(C1)CC(F)(F)F)[*:1]
CSCC[C@H](C)N(C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] CSCC[C@H](C)N(C)C(=O)N[C@H]1CCN(C1)[*:1]
CSCC[C@H](C)N(C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 CSC[*:1] C[C@@H](C[*:1])N(C)C(=O)N[C@H]1CCN(C1)CC(F)(F)F
CSCC[C@H](C)N(C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 CSCC[C@H](C)[*:1] CN(C(=O)N[C@H]1CCN(C1)CC(F)(F)F)[*:1]
CSCC[C@H](C)N(C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] CSCC[C@H](C)N(C)C(=O)N[C@H]1CCN(C1)C[*:1]
C[C@H](CCn1cccn1)[NH2+]Cc1ccc2nonc2c1 c1cnn(c1)C[*:1] C[C@H](C[*:1])[NH2+]Cc1ccc2nonc2c1
C[C@H](CCn1cccn1)[NH2+]Cc1ccc2nonc2c1 c1cnn(c1)[*:1] C[C@H](CC[*:1])[NH2+]Cc1ccc2nonc2c1
Nc1ccc2oc(NCc3ccsc3)nc2c1 c1cc(cs1)[*:1] Nc1ccc2oc(nc2c1)NC[*:1]
C[C@@H](NC(=O)c1cccs1)C(=O)NCCc1cc(F)cc(F)c1 c1csc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NCCc1cc(F)cc(F)c1
c1ccc([C@H]2C[C@H]2C[NH2+]Cc2cccnc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)[C@H]1C[C@H]1C[NH2+]Cc1cccnc1[*:1]
c1ccc([C@H]2C[C@H]2C[NH2+]Cc2cccnc2N2CCOCC2)cc1 c1ccc(cc1)[*:1] c1cnc(c(c1)C[NH2+]C[C@@H]1C[C@@H]1[*:1])N1CCOCC1
CO[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](C(=O)N1CCN(CC1)C(=O)[C@@H]1CCCO1)[*:1]
CO[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1 C1CO[C@@H](C1)[*:1] CO[C@H](C(=O)N1CCN(CC1)C(=O)[*:1])c1ccccc1
Cc1nn(C)c(Cl)c1COC(=O)c1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] Cc1nn(C)c(Cl)c1COC(=O)c1cccc(c1)[*:1]
O=C(c1ccco1)N1CCC([NH2+]Cc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1ccco1)N1CCC(CC1)[NH2+]C[*:1]
O=C(c1ccco1)N1CCC([NH2+]Cc2ccccc2F)CC1 c1coc(c1)[*:1] O=C(N1CCC(CC1)[NH2+]Cc1ccccc1F)[*:1]
CCOc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 O=C(NC1CCCCC1)[*:1] CCOc1ccc(cc1)NC(=O)[C@H]1[C@H]2C=C[C@@]3(O2)[C@@H](N(C(=O)[C@H]13)C1CC1)[*:1]
CCOc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 CCO[*:1] O=C(NC1CCCCC1)[C@H]1N(C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(cc3)[*:1])[C@H]3C=C[C@@]12O3)C1CC1
CCOc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 CCOc1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@H]1N(C(=O)[C@@H]2[C@@H](C(=O)N[*:1])[C@H]3C=C[C@@]12O3)C1CC1
CCOc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 C1CC1[*:1] CCOc1ccc(cc1)NC(=O)[C@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C(=O)[C@H]13)[*:1]
CCOc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@@H](C(=O)NC3CCCCC3)N(C3CC3)C(=O)[C@H]24)cc1 C1CCC(CC1)[*:1] CCOc1ccc(cc1)NC(=O)[C@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)N[*:1])N(C(=O)[C@H]13)C1CC1
NC(=O)CN[C@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 NC(=O)C[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@@H]1N[*:1]
NC(=O)CN[C@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 NC(=O)CN[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@@H]1[*:1]
NC(=O)CN[C@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 NC(=O)[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@@H]1NC[*:1]
CCCN(Cc1ccccc1N)c1ccc2nnnn2n1 CCC[*:1] Nc1ccccc1CN(c1ccc2nnnn2n1)[*:1]
CCCN(Cc1ccccc1N)c1ccc2nnnn2n1 Nc1ccccc1[*:1] CCCN(C[*:1])c1ccc2nnnn2n1
CCCSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCOC COC[*:1] CCCSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C[*:1]
CCCSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCOC Clc1ccccc1[*:1] CCCSc1nc2scc(c2c(=O)n1CCOC)[*:1]
CCCSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCOC COCC[*:1] CCCSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1[*:1]
CCCSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCOC CCC[*:1] COCCn1c(nc2scc(-c3ccccc3Cl)c2c1=O)S[*:1]
CCCSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCOC CCCS[*:1] COCCn1c(nc2scc(-c3ccccc3Cl)c2c1=O)[*:1]
CCc1cccc(C)c1NC(=O)N[C@@H](CC(=O)OC)C1CC1 C1CC1[*:1] CCc1cccc(C)c1NC(=O)N[C@@H](CC(=O)OC)[*:1]
CCc1cccc(C)c1NC(=O)N[C@@H](CC(=O)OC)C1CC1 COC(=O)[*:1] CCc1cccc(C)c1NC(=O)N[C@@H](C[*:1])C1CC1
CCc1cccc(C)c1NC(=O)N[C@@H](CC(=O)OC)C1CC1 COC(=O)C[*:1] CCc1cccc(C)c1NC(=O)N[C@@H](C1CC1)[*:1]
c1ccc(SCc2noc(-c3ccco3)n2)nc1 c1coc(c1)[*:1] c1ccc(nc1)SCc1noc(n1)[*:1]
c1ccc(SCc2noc(-c3ccco3)n2)nc1 c1ccc(nc1)[*:1] c1coc(c1)-c1nc(CS[*:1])no1
O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 Fc1cccc(c1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(C[*:1])n1
O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 Fc1cccc(c1)C[*:1] O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(n1)[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 Fc1ccc(cc1)[*:1] O=S(=O)(N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1)[*:1]
CCC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CCO1 CCC[*:1] O=C([C@H]1C[C@@H]1c1cccc(F)c1F)N1CCO[C@@H](C1)[*:1]
CC[C@@H]1CCCN(C(=O)NCc2ccc(NC(=O)OC)cc2)C1 COC(=O)N[*:1] CC[C@@H]1CCCN(C1)C(=O)NCc1ccc(cc1)[*:1]
COC(=O)c1ccsc1NC(=O)Cc1ccon1 c1cc(C[*:1])no1 COC(=O)c1ccsc1NC(=O)[*:1]
COC(=O)c1ccsc1NC(=O)Cc1ccon1 c1cc(no1)[*:1] COC(=O)c1ccsc1NC(=O)C[*:1]
COC(=O)c1ccsc1NC(=O)Cc1ccon1 COC(=O)[*:1] O=C(Cc1ccon1)Nc1sccc1[*:1]
N#Cc1c(-c2cccn2-c2ncccn2)cc(-c2ccc(O)cc2)nc1N Oc1ccc(cc1)[*:1] N#Cc1c(cc(nc1N)[*:1])-c1cccn1-c1ncccn1
N#Cc1c(-c2cccn2-c2ncccn2)cc(-c2ccc(O)cc2)nc1N c1cnc(nc1)[*:1] N#Cc1c(cc(nc1N)-c1ccc(O)cc1)-c1cccn1[*:1]
C[C@H]1C[C@@H]([NH2+]CC(=O)NCc2ccco2)CC(C)(C)C1 c1coc(c1)C[*:1] C[C@H]1C[C@H](CC(C)(C)C1)[NH2+]CC(=O)N[*:1]
C[C@H]1C[C@@H]([NH2+]CC(=O)NCc2ccco2)CC(C)(C)C1 c1coc(c1)[*:1] C[C@H]1C[C@H](CC(C)(C)C1)[NH2+]CC(=O)NC[*:1]
C[C@@H](C(=O)N(C)Cc1ccnc2ccccc12)n1cccc1 c1ccn(c1)[*:1] C[C@@H](C(=O)N(C)Cc1ccnc2ccccc12)[*:1]
COC(=O)[C@H]1[C@@H]2C=C[C@H]1C=CC2 COC(=O)[*:1] C1=C[C@@H]2C=C[C@H](C1)[C@@H]2[*:1]
CCCCCC[C@@H]1CCC[C@H]1N1CCn2c(nn(C)c2=O)C1 CCC[*:1] Cn1nc2CN(CCn2c1=O)[C@@H]1CCC[C@H]1CCC[*:1]
CCCCCC[C@@H]1CCC[C@H]1N1CCn2c(nn(C)c2=O)C1 CCCCC[*:1] Cn1nc2CN(CCn2c1=O)[C@@H]1CCC[C@H]1C[*:1]
CCCCCC[C@@H]1CCC[C@H]1N1CCn2c(nn(C)c2=O)C1 CCCC[*:1] Cn1nc2CN(CCn2c1=O)[C@@H]1CCC[C@H]1CC[*:1]
CCCCCC[C@@H]1CCC[C@H]1N1CCn2c(nn(C)c2=O)C1 CCCCCC[*:1] Cn1nc2CN(CCn2c1=O)[C@@H]1CCC[C@H]1[*:1]
Cc1cnc(CCNC(=O)C(=O)Nc2ccc(OC(C)C)cc2)s1 CC(C)[*:1] Cc1cnc(CCNC(=O)C(=O)Nc2ccc(cc2)O[*:1])s1
Cc1cnc(CCNC(=O)C(=O)Nc2ccc(OC(C)C)cc2)s1 Cc1cnc(s1)[*:1] CC(C)Oc1ccc(cc1)NC(=O)C(=O)NCC[*:1]
Cc1cnc(CCNC(=O)C(=O)Nc2ccc(OC(C)C)cc2)s1 Cc1cnc(C[*:1])s1 CC(C)Oc1ccc(cc1)NC(=O)C(=O)NC[*:1]
Cc1cnc(CCNC(=O)C(=O)Nc2ccc(OC(C)C)cc2)s1 CC(C)O[*:1] Cc1cnc(CCNC(=O)C(=O)Nc2ccc(cc2)[*:1])s1
Cc1cnc(CCNC(=O)C(=O)Nc2ccc(OC(C)C)cc2)s1 Cc1cnc(CC[*:1])s1 CC(C)Oc1ccc(cc1)NC(=O)C(=O)N[*:1]
COc1ccc(C#N)cc1CO/N=C(/N)CN1CCCC[C@H]1C C[C@@H]1CCCCN1[*:1] COc1ccc(C#N)cc1CO/N=C(/N)C[*:1]
C[C@H](CCC1CCCCC1)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 C1CCC(CC1)[*:1] C[C@H](CC[*:1])[NH2+]C1CCN(CC1)S(=O)(=O)C1CCOCC1
C[C@H](CCC1CCCCC1)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 C1CCC(CC1)C[*:1] C[C@H](C[*:1])[NH2+]C1CCN(CC1)S(=O)(=O)C1CCOCC1
C[C@H](CCC1CCCCC1)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 C1CC(CCO1)[*:1] C[C@H](CCC1CCCCC1)[NH2+]C1CCN(CC1)S(=O)(=O)[*:1]
C[C@H](CCC1CCCCC1)[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 C1CCC(CC1)CC[*:1] C[C@H]([NH2+]C1CCN(CC1)S(=O)(=O)C1CCOCC1)[*:1]
Cc1c(Cl)cnc(NC(=O)CS[C@@H](C)[C@H](C)O)c1Cl C[C@H](O)[*:1] Cc1c(Cl)cnc(NC(=O)CS[C@@H](C)[*:1])c1Cl
CC[C@@H](C)N(CC)C(=O)c1n[nH]c(C(C)C)n1 CC[C@@H](C)[*:1] CCN(C(=O)c1n[nH]c(n1)C(C)C)[*:1]
CC[C@@H](C)N(CC)C(=O)c1n[nH]c(C(C)C)n1 CC(C)[*:1] CC[C@@H](C)N(CC)C(=O)c1n[nH]c(n1)[*:1]
Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Nc1ccc2c(c1)OCCO2 Clc1cc(Cl)cc(c1)N[*:1] Nc1c(ncnc1[*:1])Nc1ccc2OCCOc2c1
Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Nc1ccc2c(c1)OCCO2 Clc1cc(Cl)cc(c1)[*:1] Nc1c(ncnc1N[*:1])Nc1ccc2OCCOc2c1
COc1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)cc(OC)c1OC c1csc(c1)C[*:1] COc1cc(/C=C2\Oc3c4CN(COc4cc(C)c3C2=O)[*:1])cc(OC)c1OC
COc1cc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2cccs2)C4)cc(OC)c1OC c1csc(c1)[*:1] COc1cc(/C=C2\Oc3c4CN(COc4cc(C)c3C2=O)C[*:1])cc(OC)c1OC
CC(C)c1nn(C)cc1CN(C)C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] CC(C)c1nn(C)cc1CN(C)C(=O)c1cnc(cn1)[*:1]
CC(C)c1nn(C)cc1CN(C)C(=O)c1cnc(Oc2ccccc2)cn1 CC(C)c1nn(C)cc1[*:1] CN(C[*:1])C(=O)c1cnc(cn1)Oc1ccccc1
CC(C)c1nn(C)cc1CN(C)C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CC(C)c1nn(C)cc1CN(C)C(=O)c1cnc(cn1)O[*:1]
CC(C)c1nn(C)cc1CN(C)C(=O)c1cnc(Oc2ccccc2)cn1 CC(C)[*:1] CN(Cc1cn(C)nc1[*:1])C(=O)c1cnc(cn1)Oc1ccccc1
C[S@@](=O)c1ccc(NC(=O)N2CCC[C@H]2CN2CCOCC2)cc1F C1CN(CCO1)[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)N1CCC[C@H]1C[*:1]
C[S@@](=O)c1ccc(NC(=O)N2CCC[C@H]2CN2CCOCC2)cc1F C1CN(CCO1)C[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)N1CCC[C@@H]1[*:1]
CCc1ccc(N)cc1S(=O)(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] CCc1ccc(N)cc1S(=O)(=O)N(C)[*:1]
CC[C@@H](C)NC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2 CC[C@@H](C)[*:1] Cc1ccc2OCc3cnn(CC(=O)N[*:1])c3-c2c1
CC[C@@H](C)NC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2 CC[C@@H](C)NC(=O)[*:1] Cc1ccc2OCc3cnn(C[*:1])c3-c2c1
N#Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] N#Cc1ccccc1OCC(=O)N[C@H](c1cccc(F)c1)[*:1]
N#Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 N#Cc1ccccc1O[*:1] O=C(C[*:1])N[C@H](c1ccccc1)c1cccc(F)c1
N#Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 N#Cc1ccccc1[*:1] O=C(CO[*:1])N[C@H](c1ccccc1)c1cccc(F)c1
N#Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] N#Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)[*:1]
C[C@H]1C[NH+]=C(N2CCN(CCOC(=O)Cc3ccccc3)CC2)S1 c1ccc(cc1)C[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CCOC(=O)[*:1])CC1
C[C@H]1C[NH+]=C(N2CCN(CCOC(=O)Cc3ccccc3)CC2)S1 c1ccc(cc1)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CCOC(=O)C[*:1])CC1
Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1 COc1cccc(c1)[*:1] O=C(N1N=C(C[C@H]1c1ccco1)c1ccco1)[*:1]
COc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1 c1coc(c1)[*:1] COc1cccc(c1)C(=O)N1N=C(C[C@@H]1[*:1])c1ccco1
COc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1 c1coc(c1)[*:1] COc1cccc(c1)C(=O)N1N=C(C[C@H]1c1ccco1)[*:1]
N#Cc1nc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1Cl O=[N+]([O-])[*:1] N#Cc1nc(ccc1Cl)N1CC[C@H](C1)Nc1ccc(cn1)[*:1]
CC(C)C[C@H](C)OC(=O)Nc1cccc(C[NH3+])c1 CC(C)C[C@H](C)[*:1] [NH3+]Cc1cccc(c1)NC(=O)O[*:1]
CC(C)C[C@H](C)OC(=O)Nc1cccc(C[NH3+])c1 CC(C)[*:1] C[C@@H](C[*:1])OC(=O)Nc1cccc(c1)C[NH3+]
CC(C)C[C@H](C)OC(=O)Nc1cccc(C[NH3+])c1 CC(C)C[*:1] C[C@H](OC(=O)Nc1cccc(c1)C[NH3+])[*:1]
CCOc1ccccc1CNc1ccn(-c2ncccc2Cl)n1 CCO[*:1] Clc1cccnc1-n1ccc(n1)NCc1ccccc1[*:1]
CCOc1ccccc1CNc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] CCOc1ccccc1CNc1ccn(n1)[*:1]
CCOc1cccc(C(=O)NC(=S)NNC(=O)c2cccs2)c1 CCO[*:1] O=C(NC(=S)NNC(=O)c1cccs1)c1cccc(c1)[*:1]
CCOc1cccc(C(=O)NC(=S)NNC(=O)c2cccs2)c1 c1csc(c1)[*:1] CCOc1cccc(c1)C(=O)NC(=S)NNC(=O)[*:1]
NC(=O)C[C@H](NC(=O)c1ccc(-c2cnco2)cc1)C1CCCCC1 c1ncc(o1)[*:1] NC(=O)C[C@H](NC(=O)c1ccc(cc1)[*:1])C1CCCCC1
NC(=O)C[C@H](NC(=O)c1ccc(-c2cnco2)cc1)C1CCCCC1 NC(=O)[*:1] O=C(N[C@@H](C[*:1])C1CCCCC1)c1ccc(cc1)-c1cnco1
NC(=O)C[C@H](NC(=O)c1ccc(-c2cnco2)cc1)C1CCCCC1 NC(=O)C[*:1] O=C(N[C@H](C1CCCCC1)[*:1])c1ccc(cc1)-c1cnco1
NC(=O)C[C@H](NC(=O)c1ccc(-c2cnco2)cc1)C1CCCCC1 C1CCC(CC1)[*:1] NC(=O)C[C@H](NC(=O)c1ccc(cc1)-c1cnco1)[*:1]
O=C(C=C1CCC1)Nc1ccc2c(c1)COC2 C(=C1CCC1)[*:1] O=C(Nc1ccc2COCc2c1)[*:1]
COC[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C1CC1 C1CC1[*:1] COC[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)[*:1]
COC[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C1CC1 COC[*:1] Brc1cccc2c1OCC[C@@H]2[NH2+][C@H](C1CC1)[*:1]
CC[C@@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1cccc(Cl)c1)S(C)(=O)=O Clc1cccc(c1)[*:1] CC[C@@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(S(C)(=O)=O)[*:1]
CCC[NH2+][C@@H](CC)c1nnc([C@]2(C)CCCO2)o1 C[C@@]1(CCCO1)[*:1] CCC[NH2+][C@@H](CC)c1nnc(o1)[*:1]
CCC[NH2+][C@@H](CC)c1nnc([C@]2(C)CCCO2)o1 CCC[*:1] CC[C@H]([NH2+][*:1])c1nnc(o1)[C@]1(C)CCCO1
NC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1 c1cncc(c1)[*:1] NC(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)c1ccc(nn1)[*:1]
NC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)c1ccc(nn1)-c1cccnc1
NC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc(nn1)-c1cccnc1
CCCCNC(=O)Cn1ccc([C@H](C)[NH2+]C)c1 CCCC[*:1] C[NH2+][C@@H](C)c1ccn(c1)CC(=O)N[*:1]
CCCCNC(=O)Cn1ccc([C@H](C)[NH2+]C)c1 CCC[*:1] C[NH2+][C@@H](C)c1ccn(c1)CC(=O)NC[*:1]
COc1cccc(/C=N/NC(=O)COc2cccc3ccccc23)c1 COc1cccc(c1)[*:1] O=C(COc1cccc2ccccc12)NN=C[*:1]
C[C@H](C[NH+]1CCCCC1)NC(=O)CSc1nnnn1C1CCCC1 C1CCC(C1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)CSc1nnnn1[*:1]
COc1cc(C=O)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1cc(C=O)ccc1OC[*:1]
Cc1nc(N)nc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1nc(N)nc(-c2ccc(cc2)[N+](=O)[O-])c1[*:1]
Cc1nc(N)nc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)N(C)C O=[N+]([O-])[*:1] Cc1nc(N)nc(-c2ccc(cc2)[*:1])c1C(=O)N(C)C
COc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1ccc(Cl)c(Cl)c1 O=[N+]([O-])[*:1] COc1c(Cl)cc(c(OC)c1C(=O)NC(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
COc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] COc1c(Cl)cc(c(OC)c1C(=O)NC(=O)N[*:1])[N+](=O)[O-]
c1ccc([C@H]2OCC[C@@H]2CNc2nc(-c3ccncc3)nc3c2CCC3)cc1 c1cc(ccn1)[*:1] c1ccc(cc1)[C@H]1OCC[C@@H]1CNc1nc(nc2CCCc21)[*:1]
c1ccc([C@H]2OCC[C@@H]2CNc2nc(-c3ccncc3)nc3c2CCC3)cc1 c1ccc(cc1)[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)NC[C@H]1CCO[C@@H]1[*:1]
CCCCn1ncc(C[NH3+])c1C(F)F CCC[*:1] [NH3+]Cc1cnn(C[*:1])c1C(F)F
CCCCn1ncc(C[NH3+])c1C(F)F CCCC[*:1] [NH3+]Cc1cnn(c1C(F)F)[*:1]
CCCCn1ncc(C[NH3+])c1C(F)F FC(F)[*:1] CCCCn1ncc(C[NH3+])c1[*:1]
O=C(NCc1ncc[nH]1)Nc1ccc(Br)c(Cl)c1 c1c[nH]c(C[*:1])n1 O=C(Nc1ccc(Br)c(Cl)c1)N[*:1]
O=C(NCc1ncc[nH]1)Nc1ccc(Br)c(Cl)c1 c1c[nH]c(n1)[*:1] O=C(NC[*:1])Nc1ccc(Br)c(Cl)c1
COc1ccc(CNC(=O)Nc2cnn(C(C)(C)C)c2)cc1F CC(C)(C)[*:1] COc1ccc(cc1F)CNC(=O)Nc1cnn(c1)[*:1]
COC(=O)c1ccc(C(=O)Nc2sccc2C(=O)NNC(C)=O)cc1 COC(=O)[*:1] CC(=O)NNC(=O)c1ccsc1NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)Nc2sccc2C(=O)NNC(C)=O)cc1 CC(=O)NNC(=O)[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1sccc1[*:1]
Cc1cnn(C)c1C(=O)/N=c1/sc2c(C)ccc(C)c2n1C Cc1cnn(C)c1[*:1] Cc1ccc(C)c2c1s/c(=N/C(=O)[*:1])n2C
COc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3n2)cc1OC COc1ccc(cc1OC)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)c1cc(nc2ccccc12)[*:1]
CCc1cc(OS(=O)(=O)c2cccs2)ccc1Cl c1csc(c1)[*:1] CCc1cc(ccc1Cl)OS(=O)(=O)[*:1]
COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCC[NH+](C)C)[C@H]3c1ccccc1F Fc1ccccc1[*:1] COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCC[NH+](C)C)[C@@H]3[*:1]
O=C(CCCOc1ccc(F)cc1)Nc1cc2c(cc1Br)OCCO2 Fc1ccc(cc1)[*:1] O=C(CCCO[*:1])Nc1cc2OCCOc2cc1Br
O=C(CCCOc1ccc(F)cc1)Nc1cc2c(cc1Br)OCCO2 Fc1ccc(cc1)O[*:1] O=C(CCC[*:1])Nc1cc2OCCOc2cc1Br
CC(C)c1nc(C(=O)N(C)CC(=O)NC(C)(C)C)n[nH]1 CC(C)[*:1] CN(CC(=O)NC(C)(C)C)C(=O)c1n[nH]c(n1)[*:1]
CC(C)c1nc(C(=O)N(C)CC(=O)NC(C)(C)C)n[nH]1 CC(C)(C)[*:1] CC(C)c1nc(n[nH]1)C(=O)N(C)CC(=O)N[*:1]
O=C(CN1C(=O)C2=C(CCC2)Nc2ccccc21)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1C(=O)C2CCCC=2Nc2ccccc21)N[*:1]
CC[C@H](C)OCc1ccc(C(=O)NN)cn1 CC[C@H](C)O[*:1] NNC(=O)c1ccc(C[*:1])nc1
CC[C@H](C)OCc1ccc(C(=O)NN)cn1 CC[C@H](C)[*:1] NNC(=O)c1ccc(CO[*:1])nc1
CC[C@H](C)OCc1ccc(C(=O)NN)cn1 NNC(=O)[*:1] CC[C@H](C)OCc1ccc(cn1)[*:1]
Fc1cccc(CNc2cc(-n3cccn3)ncn2)c1 c1cnn(c1)[*:1] Fc1cccc(c1)CNc1cc(ncn1)[*:1]
CC[C@H](C)C[C@@H](C[NH2+]C(C)C)c1cccc(F)c1 CC[C@H](C)[*:1] CC(C)[NH2+]C[C@H](C[*:1])c1cccc(F)c1
CC[C@H](C)C[C@@H](C[NH2+]C(C)C)c1cccc(F)c1 CC[C@H](C)C[*:1] CC(C)[NH2+]C[C@@H](c1cccc(F)c1)[*:1]
CC[C@H](C)C[C@@H](C[NH2+]C(C)C)c1cccc(F)c1 CC(C)[*:1] CC[C@H](C)C[C@@H](C[NH2+][*:1])c1cccc(F)c1
C[S@](=O)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] C[S@](=O)c1ccc(cc1)NC(=O)N[C@H](CO)C[*:1]
C[S@](=O)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] C[S@](=O)c1ccc(cc1)NC(=O)N[C@H](CO)[*:1]
C[S@](=O)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1 C[S@](=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H](CO)Cc1ccccc1
CC1=C2[C@H](N=N1)NC(=O)C[C@H]2c1ccc(OCc2cccc(Cl)c2)cc1 Clc1cccc(c1)C[*:1] CC1N=N[C@@H]2NC(=O)C[C@H](C=12)c1ccc(cc1)O[*:1]
CC1=C2[C@H](N=N1)NC(=O)C[C@H]2c1ccc(OCc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC1N=N[C@@H]2NC(=O)C[C@H](C=12)c1ccc(cc1)OC[*:1]
CC(C)[C@@H](CO)[NH2+]Cc1c(Cl)cccc1Cl CC(C)[*:1] OC[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)[*:1]
Cc1nc2cc(-c3ccco3)nn2c(N2C[C@@H](C)O[C@H](C)C2)c1C c1coc(c1)[*:1] Cc1nc2cc(nn2c(c1C)N1C[C@@H](C)O[C@H](C)C1)[*:1]
O=C(CCSc1ncnc2nc[nH]c12)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CCSc1ncnc2nc[nH]c12)N[*:1]
CC[NH2+][C@H](CS[C@H](C)CC)[C@@H]1CCOC2(CCCCC2)C1 CC[C@@H](C)[*:1] CC[NH2+][C@H](CS[*:1])[C@@H]1CCOC2(CCCCC2)C1
CC[NH2+][C@H](CS[C@H](C)CC)[C@@H]1CCOC2(CCCCC2)C1 CC[C@@H](C)SC[*:1] CC[NH2+][C@H]([C@@H]1CCOC2(CCCCC2)C1)[*:1]
CC[NH2+][C@H](CS[C@H](C)CC)[C@@H]1CCOC2(CCCCC2)C1 CC[C@@H](C)S[*:1] CC[NH2+][C@H](C[*:1])[C@@H]1CCOC2(CCCCC2)C1
C[C@H](Nn1cccc1)c1ccccc1C(F)(F)F c1ccn(c1)N[*:1] C[C@H](c1ccccc1C(F)(F)F)[*:1]
C[C@H](Nn1cccc1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@H](Nn1cccc1)c1ccccc1[*:1]
CC(C)CN(C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1)C1CC1 CC(C)[*:1] O=C(CN1CCO[C@H](C1)c1ccc(F)cc1)N(C[*:1])C1CC1
CC(C)CN(C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1)C1CC1 Fc1ccc(cc1)[*:1] CC(C)CN(C(=O)CN1CCO[C@@H](C1)[*:1])C1CC1
CC(C)CN(C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)CN1CCO[C@H](C1)c1ccc(F)cc1)[*:1]
CC(C)CN(C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1)C1CC1 CC(C)C[*:1] O=C(CN1CCO[C@H](C1)c1ccc(F)cc1)N(C1CC1)[*:1]
COc1cccc(OC)c1C(=O)N1CCN(c2nccn2-c2ccccc2F)CC1 COc1cccc(OC)c1[*:1] O=C(N1CCN(CC1)c1nccn1-c1ccccc1F)[*:1]
COc1cccc(OC)c1C(=O)N1CCN(c2nccn2-c2ccccc2F)CC1 Fc1ccccc1[*:1] COc1cccc(OC)c1C(=O)N1CCN(CC1)c1nccn1[*:1]
COc1ccc([C@@H](CNC(=O)c2ccccc2Br)[NH+]2CCCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H]([NH+]1CCCCCC1)[*:1])c1ccccc1Br
COc1ccc([C@@H](CNC(=O)c2ccccc2Br)[NH+]2CCCCCC2)cc1 Brc1ccccc1[*:1] COc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+]1CCCCCC1
Cn1c(SCCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] Cn1c(nnc1-c1ccc(Cl)cc1)SCCC(=O)N[*:1]
Cn1c(SCCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCCC(=O)Nc1ccc(F)cc1
CC[NH2+][C@@H](C(CC)CC)C(C)(C)[NH+](C)C CCC(CC)[*:1] CC[NH2+][C@@H](C(C)(C)[NH+](C)C)[*:1]
O=C(CNCC(F)(F)F)NNC(=O)c1ccccc1Cl FC(F)(F)[*:1] O=C(CNC[*:1])NNC(=O)c1ccccc1Cl
O=C(CNCC(F)(F)F)NNC(=O)c1ccccc1Cl FC(F)(F)CN[*:1] O=C(C[*:1])NNC(=O)c1ccccc1Cl
O=C(CNCC(F)(F)F)NNC(=O)c1ccccc1Cl FC(F)(F)C[*:1] O=C(CN[*:1])NNC(=O)c1ccccc1Cl
CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 Cc1cc(C)c(c(C)c1)[*:1] CCc1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 CCc1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CN(C)c1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 c1ccc(cc1)C[*:1] CN(C)c1oc(nc1S(=O)(=O)c1ccc(F)cc1)[*:1]
CN(C)c1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 CN(C)[*:1] O=S(=O)(c1ccc(F)cc1)c1nc(Cc2ccccc2)oc1[*:1]
CN(C)c1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C)c1oc(Cc2ccccc2)nc1S(=O)(=O)[*:1]
CN(C)c1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] CN(C)c1oc(C[*:1])nc1S(=O)(=O)c1ccc(F)cc1
Cc1c(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CC[C@@H]2OCCC[C@@H]2C1
C[C@@H](Cc1cccs1)N(C)[C@]1(C[NH3+])CCO[C@H](C)C1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)[C@]1(C[NH3+])CCO[C@H](C)C1
C[C@@H](Cc1cccs1)N(C)[C@]1(C[NH3+])CCO[C@H](C)C1 c1csc(c1)C[*:1] C[C@@H](N(C)[C@]1(C[NH3+])CCO[C@H](C)C1)[*:1]
COc1cccc(C[C@@H]2CCCN2C(=O)Cn2cc(C3CC3)nn2)c1 c1c(nnn1[*:1])C1CC1 COc1cccc(c1)C[C@@H]1CCCN1C(=O)C[*:1]
COc1cccc(C[C@@H]2CCCN2C(=O)Cn2cc(C3CC3)nn2)c1 COc1cccc(c1)[*:1] O=C(Cn1cc(nn1)C1CC1)N1CCC[C@H]1C[*:1]
COc1cccc(C[C@@H]2CCCN2C(=O)Cn2cc(C3CC3)nn2)c1 C1CC1[*:1] COc1cccc(c1)C[C@@H]1CCCN1C(=O)Cn1cc(nn1)[*:1]
O=C(CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1)Nc1nccs1 Fc1ccc(cc1F)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1nccs1
O=C(CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1)Nc1nccs1 c1csc(n1)[*:1] O=C(CN1CCN(CC1)C(=O)c1ccc(F)c(F)c1)N[*:1]
O=C(CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1)Nc1nccs1 O=C(Nc1nccs1)[*:1] O=C(c1ccc(F)c(F)c1)N1CCN(CC1)C[*:1]
Clc1ccc2oc(SCc3noc(-c4ccsc4)n3)nc2c1 c1cc(cs1)[*:1] Clc1ccc2oc(nc2c1)SCc1noc(n1)[*:1]
C[NH2+][C@H]1CCC[C@H]1CCN(C)CC[NH+](C)C C[NH+](C)CC[*:1] C[NH2+][C@H]1CCC[C@H]1CCN(C)[*:1]
Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)/C=C/c1cccnc1 C(=C[*:1])c1cccnc1 Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)[*:1]
Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)/C=C/c1cccnc1 c1cncc(c1)[*:1] Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)C=C[*:1]
Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)/C=C/c1cccnc1 Cc1ccccc1[*:1] CC1(C)Cc2c(cnn2[*:1])[C@@H](C1)NC(=O)/C=C/c1cccnc1
Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1 c1ccc(cc1)C[*:1] Cc1ccc(s1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1 Cc1ccc(s1)[*:1] O=S(=O)(N1CCN(CC1)Cc1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCN(CC1)C[*:1]
O=C(Nc1ccn(Cc2ccccc2F)n1)[C@H]1C[C@H]1c1ccccc1 Fc1ccccc1[*:1] O=C(Nc1ccn(C[*:1])n1)[C@H]1C[C@H]1c1ccccc1
O=C(Nc1ccn(Cc2ccccc2F)n1)[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccn(Cc2ccccc2F)n1)[C@H]1C[C@@H]1[*:1]
O=C(Nc1ccn(Cc2ccccc2F)n1)[C@H]1C[C@H]1c1ccccc1 Fc1ccccc1C[*:1] O=C(Nc1ccn(n1)[*:1])[C@H]1C[C@H]1c1ccccc1
CC(C)CC(=O)NNC(=O)c1ccco1 CC(C)[*:1] O=C(C[*:1])NNC(=O)c1ccco1
CC(C)CC(=O)NNC(=O)c1ccco1 c1coc(c1)[*:1] CC(C)CC(=O)NNC(=O)[*:1]
CC(C)CC(=O)NNC(=O)c1ccco1 CC(C)C[*:1] O=C(NNC(=O)[*:1])c1ccco1
CCC(C)(C)c1ccc(OCC[C@@H]2CCC[C@H]2O)cc1 CCC(C)(C)[*:1] O[C@@H]1CCC[C@H]1CCOc1ccc(cc1)[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)Cc1c[nH]c2c(C)cccc12 c1ccc(cc1)[*:1] Cc1cnn(c1NC(=O)Cc1c[nH]c2c(C)cccc12)[*:1]
CCc1cnc(CCNC(=O)NC2(C)Cc3ccccc3C2)s1 CCc1cnc(s1)[*:1] CC1(Cc2ccccc2C1)NC(=O)NCC[*:1]
CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCCCC1 CS(=O)(=O)[*:1] O=C(C1CCCCC1)N1CCCc2cc(ccc21)[*:1]
CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1CCCCC1 C1CCC(CC1)[*:1] CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[*:1]
COC(=O)c1ccc([C@H]2SC[C@H]3C(=O)N(c4ccc(F)cc4)C(=S)N32)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1SC[C@H]2C(=O)N(C(=S)N21)[*:1]
COC(=O)c1ccc([C@H]2SC[C@H]3C(=O)N(c4ccc(F)cc4)C(=S)N32)cc1 COC(=O)[*:1] O=C1[C@@H]2CS[C@H](c3ccc(cc3)[*:1])N2C(=S)N1c1ccc(F)cc1
O=S(=O)(c1ccc(I)cc1)N1CCN(C/C=C/c2ccccc2)CC1 Ic1ccc(cc1)[*:1] O=S(=O)(N1CCN(C/C=C/c2ccccc2)CC1)[*:1]
O=S(=O)(c1ccc(I)cc1)N1CCN(C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(I)cc1)N1CCN(CC=C[*:1])CC1
O=S(=O)(c1ccc(I)cc1)N1CCN(C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=S(=O)(c1ccc(I)cc1)N1CCN(CC1)C[*:1]
COC(=O)c1ccc(NCc2cccc(Br)c2)c([N+](=O)[O-])c1 COC(=O)[*:1] O=[N+]([O-])c1cc(ccc1NCc1cccc(Br)c1)[*:1]
COC(=O)c1ccc(NCc2cccc(Br)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)c1ccc(NCc2cccc(Br)c2)c(c1)[*:1]
COC(=O)c1ccc(NCc2cccc(Br)c2)c([N+](=O)[O-])c1 Brc1cccc(c1)[*:1] COC(=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
COCc1cc(C(=O)Nc2cccc([S@](C)=O)c2)no1 COC[*:1] C[S@](=O)c1cccc(c1)NC(=O)c1cc(on1)[*:1]
Cc1ccnc2nc(C(=O)N(Cc3ccccc3)CC3CCC3)nn12 c1ccc(cc1)[*:1] Cc1ccnc2nc(nn12)C(=O)N(CC1CCC1)C[*:1]
Cc1ccnc2nc(C(=O)N(Cc3ccccc3)CC3CCC3)nn12 c1ccc(cc1)C[*:1] Cc1ccnc2nc(nn12)C(=O)N(CC1CCC1)[*:1]
Cc1ccnc2nc(C(=O)N(Cc3ccccc3)CC3CCC3)nn12 C1CC(C1)[*:1] Cc1ccnc2nc(nn12)C(=O)N(Cc1ccccc1)C[*:1]
Cc1ccnc2nc(C(=O)N(Cc3ccccc3)CC3CCC3)nn12 C1CC(C1)C[*:1] Cc1ccnc2nc(nn12)C(=O)N(Cc1ccccc1)[*:1]
C[C@@H](NCc1ccon1)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H](NCc1ccon1)C(=O)O[*:1]
C[C@@H](NCc1ccon1)C(=O)OC(C)(C)C c1cc(no1)[*:1] C[C@@H](NC[*:1])C(=O)OC(C)(C)C
CCN1CC2(CCN(C(=O)c3cc(=O)n(-c4ccccc4)[nH]3)CC2)CC1=O c1ccc(cc1)[*:1] CCN1CC2(CCN(CC2)C(=O)c2cc(=O)n([nH]2)[*:1])CC1=O
O=C(Nc1cccs1)N1CCC[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 c1csc(c1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
O=C(Nc1cccs1)N1CCC[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] O=C(Nc1cccs1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)C(c1ccccc1)[*:1]
C[C@H](c1ccccc1Cl)N(C)c1cccc(F)c1C(N)=S Clc1ccccc1[*:1] C[C@H](N(C)c1cccc(F)c1C(N)=S)[*:1]
C[C@H](c1ccccc1Cl)N(C)c1cccc(F)c1C(N)=S NC(=S)[*:1] C[C@H](c1ccccc1Cl)N(C)c1cccc(F)c1[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(C#CC[NH3+])c1 C[C@H]1C[C@H]1[*:1] [NH3+]CC#Cc1cc(ccc1Cl)NC(=O)[*:1]
Cc1n[nH]c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 Cc1n[nH]c(C)c1[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1cccs1
Cc1n[nH]c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cc1n[nH]c(C)c1CC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1n[nH]c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 Cc1n[nH]c(C)c1C[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccs1)[*:1]
C[C@H]1OCC[C@H]1C(=O)N(Cc1ccccc1F)c1ccc(F)cc1 Fc1ccccc1C[*:1] C[C@H]1OCC[C@H]1C(=O)N(c1ccc(F)cc1)[*:1]
C[C@H]1OCC[C@H]1C(=O)N(Cc1ccccc1F)c1ccc(F)cc1 Fc1ccccc1[*:1] C[C@H]1OCC[C@H]1C(=O)N(C[*:1])c1ccc(F)cc1
C[C@H]1OCC[C@H]1C(=O)N(Cc1ccccc1F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)N(Cc1ccccc1F)[*:1]
COCc1cc(NC(=O)C(=O)N2CCC(C)(c3ccccc3)CC2)ncn1 c1ccc(cc1)[*:1] COCc1cc(ncn1)NC(=O)C(=O)N1CCC(C)(CC1)[*:1]
COCc1cc(NC(=O)C(=O)N2CCC(C)(c3ccccc3)CC2)ncn1 COCc1cc(ncn1)[*:1] CC1(CCN(CC1)C(=O)C(=O)N[*:1])c1ccccc1
COCc1cc(NC(=O)C(=O)N2CCC(C)(c3ccccc3)CC2)ncn1 COC[*:1] CC1(CCN(CC1)C(=O)C(=O)Nc1cc(ncn1)[*:1])c1ccccc1
CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1nc2c(s1)CCC2 CC[C@@H](C)O[*:1] Cc1ccc(C[NH2+]Cc2nc3CCCc3s2)c(c1)[*:1]
CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1nc2c(s1)CCC2 CC[C@@H](C)[*:1] Cc1ccc(C[NH2+]Cc2nc3CCCc3s2)c(c1)O[*:1]
Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4cccs4)[C@H]3C2=O)c1 Cc1cccc(c1)[*:1] Cc1ccccc1N1O[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]1c1cccs1)[*:1]
Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4cccs4)[C@H]3C2=O)c1 c1csc(c1)[*:1] Cc1cccc(c1)N1C(=O)[C@H]2ON(c3ccccc3C)[C@@H]([C@H]2C1=O)[*:1]
Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4cccs4)[C@H]3C2=O)c1 Cc1ccccc1[*:1] Cc1cccc(c1)N1C(=O)[C@H]2ON([C@@H](c3cccs3)[C@H]2C1=O)[*:1]
Cc1ccncc1NC(=O)C(=O)NCCCn1nc2ccccn2c1=O Cc1ccncc1[*:1] O=C(NCCCn1nc2ccccn2c1=O)C(=O)N[*:1]
C[C@@H](Cn1ccnc1)NC(=O)/C=C/c1ccc(F)cc1 c1cn(cn1)C[*:1] C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)[*:1]
C[C@@H](Cn1ccnc1)NC(=O)/C=C/c1ccc(F)cc1 c1cn(cn1)[*:1] C[C@@H](C[*:1])NC(=O)/C=C/c1ccc(F)cc1
COc1ccc(OC(=O)c2coc3ccccc23)c(C(C)=O)c1 CC(=O)[*:1] COc1ccc(OC(=O)c2coc3ccccc23)c(c1)[*:1]
O=C(NCc1ccccn1)N[C@@H]1CCC[C@H]2OCC[C@H]12 c1ccc(nc1)[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@H]2OCC[C@H]12
Cc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4Cl)CC3=O)Nc3ccccc3N2C(=O)CCO)cc1 OCC[*:1] Cc1ccc(cc1)[C@H]1C2C(=O)C[C@@H](CC=2Nc2ccccc2N1C(=O)[*:1])c1ccccc1Cl
Cc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4Cl)CC3=O)Nc3ccccc3N2C(=O)CCO)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](CC2Nc3ccccc3N(C(=O)CCO)[C@H](C=21)[*:1])c1ccccc1Cl
Cc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4Cl)CC3=O)Nc3ccccc3N2C(=O)CCO)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)[C@H]1C2C(=O)C[C@H](CC=2Nc2ccccc2N1C(=O)CCO)[*:1]
O=S(=O)(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCOCC1 Fc1ccc(cc1)[*:1] O=S(=O)(NC1CC[NH+](CC1)C[*:1])N1CCOCC1
O=S(=O)(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCOCC1 Fc1ccc(cc1)C[*:1] O=S(=O)(NC1CC[NH+](CC1)[*:1])N1CCOCC1
CC(C)[NH+]1CCC(NCc2cnc3cnc(Br)cn23)CC1 CC(C)[*:1] Brc1cn2c(cnc2cn1)CNC1CC[NH+](CC1)[*:1]
CC(C)c1nnc(CCC(=O)NC[C@H]2CCCN(c3ncccn3)C2)o1 c1cnc(nc1)[*:1] CC(C)c1nnc(CCC(=O)NC[C@H]2CCCN(C2)[*:1])o1
CC(C)c1nnc(CCC(=O)NC[C@H]2CCCN(c3ncccn3)C2)o1 CC(C)[*:1] O=C(CCc1nnc(o1)[*:1])NC[C@H]1CCCN(C1)c1ncccn1
CC(C)c1nnc(CCC(=O)NC[C@H]2CCCN(c3ncccn3)C2)o1 CC(C)c1nnc(o1)[*:1] O=C(CC[*:1])NC[C@H]1CCCN(C1)c1ncccn1
O=C(Nc1ccc2c(c1)COC2)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] O=C(Nc1ccc2COCc2c1)c1ccc(cc1)[*:1]
C=CCN(CC(=O)[O-])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 O=C([O-])C[*:1] C=CCN(C(=O)N1CC[C@H](C1)[NH+]1CCCCC1)[*:1]
C=CCN(CC(=O)[O-])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)N1CC[C@H](C1)[NH+]1CCCCC1
C=CCN(CC(=O)[O-])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 C=CC[*:1] O=C([O-])CN(C(=O)N1CC[C@H](C1)[NH+]1CCCCC1)[*:1]
CCOC(=O)c1ccccc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O CCOC(=O)[*:1] O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccccc1[*:1]
Brc1ccccc1C[NH+]1CCC(NCc2ccon2)CC1 c1cc(no1)[*:1] Brc1ccccc1C[NH+]1CCC(CC1)NC[*:1]
Brc1ccccc1C[NH+]1CCC(NCc2ccon2)CC1 c1cc(C[*:1])no1 Brc1ccccc1C[NH+]1CCC(CC1)N[*:1]
Brc1ccccc1C[NH+]1CCC(NCc2ccon2)CC1 Brc1ccccc1[*:1] c1cc(CNC2CC[NH+](CC2)C[*:1])no1
Brc1ccccc1C[NH+]1CCC(NCc2ccon2)CC1 c1cc(CN[*:1])no1 Brc1ccccc1C[NH+]1CCC(CC1)[*:1]
COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2cccn2)CN1C1Cc2ccccc2C1 COC(=O)[*:1] O=C(N[C@@H]1C[C@H](N(C1)C1Cc2ccccc2C1)[*:1])c1ccccc1-n1cccn1
COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2cccn2)CN1C1Cc2ccccc2C1 c1ccc2CC(Cc2c1)[*:1] COC(=O)[C@@H]1C[C@H](CN1[*:1])NC(=O)c1ccccc1-n1cccn1
COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2cccn2)CN1C1Cc2ccccc2C1 c1cnn(c1)[*:1] COC(=O)[C@@H]1C[C@H](CN1C1Cc2ccccc2C1)NC(=O)c1ccccc1[*:1]
CCC[NH2+]C[C@H](C)Oc1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)O[C@@H](C)C[NH2+][*:1]
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(CCN1C(=O)O[*:1])C(=O)OC(C)(C)C
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(CCN1C(=O)OC(C)(C)C)C(=O)O[*:1]
CCOC[C@@H]1CCN(C(=O)COC)C1 CCO[*:1] COCC(=O)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)COC)C1 CCOC[*:1] COCC(=O)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)COC)C1 COC[*:1] CCOC[C@@H]1CCN(C1)C(=O)[*:1]
Cc1ccc(NC(=O)CC[C@@H]2N=C(O)N([C@@H](C)c3ccccc3)C2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] C[C@@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)N[*:1])N=C1O
Cc1ccc(NC(=O)CC[C@@H]2N=C(O)N([C@@H](C)c3ccccc3)C2=O)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)CC[C@@H]1N=C(O)N(C1=O)[C@@H](C)[*:1]
Cc1ccc(NC(=O)CC[C@@H]2N=C(O)N([C@@H](C)c3ccccc3)C2=O)cc1Cl C[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1Cl)NC(=O)CC[C@@H]1N=C(O)N(C1=O)[*:1]
CC(C)(C)NC(=O)C[NH+]1CCC(CN2CCCCC2=O)CC1 CC(C)(C)NC(=O)[*:1] O=C1CCCCN1CC1CC[NH+](CC1)C[*:1]
CC(C)(C)NC(=O)C[NH+]1CCC(CN2CCCCC2=O)CC1 CC(C)(C)[*:1] O=C(C[NH+]1CCC(CC1)CN1CCCCC1=O)N[*:1]
CC(C)(C)NC(=O)C[NH+]1CCC(CN2CCCCC2=O)CC1 O=C1CCCCN1[*:1] CC(C)(C)NC(=O)C[NH+]1CCC(CC1)C[*:1]
COc1ccc(C)cc1NC(=O)CCn1cncn1 c1ncn(n1)[*:1] COc1ccc(C)cc1NC(=O)CC[*:1]
COc1ccc(C)cc1NC(=O)CCn1cncn1 c1ncn(C[*:1])n1 COc1ccc(C)cc1NC(=O)C[*:1]
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)CCc1ccccc1 Clc1ccc(cc1)[*:1] C/C(CC(=O)N[*:1])=N\NC(=O)CCc1ccccc1
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)CCc1ccccc1 c1ccc(cc1)CC[*:1] C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)[*:1]
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)CCc1ccccc1 c1ccc(cc1)C[*:1] C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)C[*:1]
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)CC[*:1]
O=C(NCCNC(=O)c1ccccc1)N[C@H]1CC(=O)N(C2CC2)C1 c1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])N[C@H]1CC(=O)N(C1)C1CC1
O=C(NCCNC(=O)c1ccccc1)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(NCCNC(=O)c1ccccc1)N[C@H]1CC(=O)N(C1)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] CC[C@@H](C)NC(=O)CCNC(=O)NC[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccccc1Cl CC[C@@H](C)NC(=O)[*:1] O=C(NCC[*:1])NCc1ccccc1Cl
CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccccc1Cl CC[C@@H](C)[*:1] O=C(CCNC(=O)NCc1ccccc1Cl)N[*:1]
COC(=O)[C@@H](NCC(=O)N(C)C)C(C)(C)C COC(=O)[*:1] CN(C)C(=O)CN[C@@H](C(C)(C)C)[*:1]
COC(=O)[C@@H](NCC(=O)N(C)C)C(C)(C)C CN(C)C(=O)[*:1] COC(=O)[C@@H](NC[*:1])C(C)(C)C
COC(=O)[C@@H](NCC(=O)N(C)C)C(C)(C)C CC(C)(C)[*:1] COC(=O)[C@@H](NCC(=O)N(C)C)[*:1]
O=C(N[C@H](c1ccc(F)cc1)c1cccs1)C1=CCCCO1 c1csc(c1)[*:1] O=C(N[C@H](c1ccc(F)cc1)[*:1])C1=CCCCO1
O=C(N[C@H](c1ccc(F)cc1)c1cccs1)C1=CCCCO1 Fc1ccc(cc1)[*:1] O=C(N[C@H](c1cccs1)[*:1])C1=CCCCO1
CC(C)S[C@@H](C)C(=O)NCc1ccccc1Cl CC(C)S[*:1] C[C@@H](C(=O)NCc1ccccc1Cl)[*:1]
CC(C)S[C@@H](C)C(=O)NCc1ccccc1Cl CC(C)[*:1] C[C@H](S[*:1])C(=O)NCc1ccccc1Cl
CC(=O)Nc1nc(C(=O)NCc2nccn2Cc2ccccc2)cs1 CC(=O)N[*:1] O=C(NCc1nccn1Cc1ccccc1)c1csc(n1)[*:1]
CC(=O)Nc1nc(C(=O)NCc2nccn2Cc2ccccc2)cs1 c1ccc(cc1)[*:1] CC(=O)Nc1nc(cs1)C(=O)NCc1nccn1C[*:1]
CC(=O)Nc1nc(C(=O)NCc2nccn2Cc2ccccc2)cs1 c1ccc(cc1)C[*:1] CC(=O)Nc1nc(cs1)C(=O)NCc1nccn1[*:1]
Cc1nc2cc(NC(=O)NC[C@@H]3CCCN(c4ncccn4)C3)ccc2o1 c1cnc(nc1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)NC[C@@H]1CCCN(C1)[*:1]
CCC[NH2+]C[C@@H]1OCCN(C)[C@H]1c1cncn1C1CC1 C1CC1[*:1] CCC[NH2+]C[C@@H]1OCCN(C)[C@H]1c1cncn1[*:1]
CCC[NH2+]C[C@@H]1OCCN(C)[C@H]1c1cncn1C1CC1 CCC[*:1] CN1CCO[C@@H](C[NH2+][*:1])[C@@H]1c1cncn1C1CC1
O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)N[*:1]
SC[C@H](COCCc1cccs1)c1ccccc1 c1csc(c1)[*:1] SC[C@H](COCC[*:1])c1ccccc1
SC[C@H](COCCc1cccs1)c1ccccc1 c1ccc(cc1)[*:1] SC[C@H](COCCc1cccs1)[*:1]
SC[C@H](COCCc1cccs1)c1ccccc1 c1csc(c1)C[*:1] SC[C@H](COC[*:1])c1ccccc1
CC[NH+](CC)CCCn1c([C@@H](C)O)nc2ccc(Cl)cc21 C[C@@H](O)[*:1] CC[NH+](CC)CCCn1c(nc2ccc(Cl)cc21)[*:1]
O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N1CCN(CC1)[*:1]
COCCN(C)C(=O)c1cc2c(s1)-c1ccccc1CC2 COC[*:1] CN(C[*:1])C(=O)c1cc2CCc3ccccc3-c2s1
COCCN(C)C(=O)c1cc2c(s1)-c1ccccc1CC2 COCC[*:1] CN(C(=O)c1cc2CCc3ccccc3-c2s1)[*:1]
CCCC[C@H](Cc1ccc(C)cn1)[NH2+]C CCCC[*:1] C[NH2+][C@@H](Cc1ccc(C)cn1)[*:1]
CCCC[C@H](Cc1ccc(C)cn1)[NH2+]C CCC[*:1] C[NH2+][C@@H](Cc1ccc(C)cn1)C[*:1]
CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 O=C(C[*:1])N1CCOCC1 CCC(CC)C(=O)Nc1ccc2nc(S[*:1])sc2c1
CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 CCC(CC)[*:1] O=C(CSc1nc2ccc(cc2s1)NC(=O)[*:1])N1CCOCC1
CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 CCC(CC)C(=O)N[*:1] O=C(CSc1nc2ccc(cc2s1)[*:1])N1CCOCC1
CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 O=C(N1CCOCC1)[*:1] CCC(CC)C(=O)Nc1ccc2nc(SC[*:1])sc2c1
C[NH+]1CCN(c2nc(-c3ccc(Cl)s3)cs2)CC1 Clc1ccc(s1)[*:1] C[NH+]1CCN(CC1)c1nc(cs1)[*:1]
C[NH2+][C@H]1CCN(c2ccccc2Oc2ccccc2)C1 c1ccc(cc1)[*:1] C[NH2+][C@H]1CCN(C1)c1ccccc1O[*:1]
Cc1cc(C)n(C[C@@H](C)n2ccnc2-c2ccnc(C(C)C)n2)n1 CC(C)[*:1] Cc1cc(C)n(C[C@@H](C)n2ccnc2-c2ccnc(n2)[*:1])n1
Cc1cc(C)n(C[C@@H](C)n2ccnc2-c2ccnc(C(C)C)n2)n1 Cc1cc(C)n(n1)[*:1] CC(C)c1nccc(n1)-c1nccn1[C@H](C)C[*:1]
Cc1cc(C)n(C[C@@H](C)n2ccnc2-c2ccnc(C(C)C)n2)n1 Cc1cc(C)n(C[*:1])n1 CC(C)c1nccc(n1)-c1nccn1[C@H](C)[*:1]
Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CCCC[C@H]2C)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C C[C@@H]1CCCCN1C(=O)[*:1] Cc1c(NC(=O)[C@@H](C)SC[*:1])c(=O)n(-c2ccccc2)n1C
CCNC(=O)NNC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] CCNC(=O)NNC(=O)c1cccc(c1)[*:1]
NC(=O)C1(NC(=O)c2cccc(OCc3cscn3)c2)CCCCC1 c1nc(cs1)[*:1] NC(=O)C1(CCCCC1)NC(=O)c1cccc(c1)OC[*:1]
NC(=O)C1(NC(=O)c2cccc(OCc3cscn3)c2)CCCCC1 c1nc(cs1)CO[*:1] NC(=O)C1(CCCCC1)NC(=O)c1cccc(c1)[*:1]
NC(=O)C1(NC(=O)c2cccc(OCc3cscn3)c2)CCCCC1 NC(=O)[*:1] O=C(NC1(CCCCC1)[*:1])c1cccc(c1)OCc1cscn1
NC(=O)C1(NC(=O)c2cccc(OCc3cscn3)c2)CCCCC1 c1nc(cs1)C[*:1] NC(=O)C1(CCCCC1)NC(=O)c1cccc(c1)O[*:1]
COc1cccc(N2C(=O)c3cnc4c(c(-c5cccnc5)nn4C)c3C2=O)c1 COc1cccc(c1)[*:1] Cn1nc(-c2cccnc2)c2c3C(=O)N(C(=O)c3cnc21)[*:1]
COc1cccc(N2C(=O)c3cnc4c(c(-c5cccnc5)nn4C)c3C2=O)c1 c1cncc(c1)[*:1] COc1cccc(c1)N1C(=O)c2cnc3c(c(nn3C)[*:1])c2C1=O
CC[C@@H](C)c1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1 CC[C@@H](C)[*:1] O=C(COc1ccc2OCOc2c1)Nc1ccc(cc1)[*:1]
CC[C@H](Sc1ccccc1)C(=O)NCCN1C(=O)CSC1=O c1ccc(cc1)S[*:1] CC[C@H](C(=O)NCCN1C(=O)CSC1=O)[*:1]
CC[C@H](Sc1ccccc1)C(=O)NCCN1C(=O)CSC1=O c1ccc(cc1)[*:1] CC[C@H](S[*:1])C(=O)NCCN1C(=O)CSC1=O
CC[C@H](Sc1ccccc1)C(=O)NCCN1C(=O)CSC1=O O=C1CSC(=O)N1[*:1] CC[C@H](Sc1ccccc1)C(=O)NCC[*:1]
Cc1cc2c(NCCCNC(=O)c3ccc(O)cc3)ncnc2s1 Oc1ccc(cc1)[*:1] Cc1cc2c(ncnc2s1)NCCCNC(=O)[*:1]
C[C@@H](C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)n1nnc(n1)[*:1]
CC[C@H]([NH2+]CCC(=O)N1CCN(C(C)=O)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[C@H]([NH2+]CCC(=O)N1CCN(CC1)C(C)=O)[*:1]
CC(C)CC(=O)Nc1nn(C)c2c1[C@H](c1ccccc1)CC(=O)N2 CC(C)C[*:1] Cn1nc(NC(=O)[*:1])c2c1NC(=O)C[C@H]2c1ccccc1
CC(C)CC(=O)Nc1nn(C)c2c1[C@H](c1ccccc1)CC(=O)N2 CC(C)[*:1] Cn1nc(NC(=O)C[*:1])c2c1NC(=O)C[C@H]2c1ccccc1
CC(C)CC(=O)Nc1nn(C)c2c1[C@H](c1ccccc1)CC(=O)N2 CC(C)CC(=O)N[*:1] Cn1nc(c2c1NC(=O)C[C@H]2c1ccccc1)[*:1]
CC(C)CC(=O)Nc1nn(C)c2c1[C@H](c1ccccc1)CC(=O)N2 c1ccc(cc1)[*:1] CC(C)CC(=O)Nc1nn(C)c2NC(=O)C[C@@H](c12)[*:1]
COc1ccc(C[C@@H](C)C(=O)N(CC(F)(F)F)C2CCCC2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C[C@@H](C)C(=O)N(C[*:1])C1CCCC1
COc1ccc(C[C@@H](C)C(=O)N(CC(F)(F)F)C2CCCC2)cc1 COc1ccc(cc1)[*:1] C[C@H](C[*:1])C(=O)N(CC(F)(F)F)C1CCCC1
COc1ccc(C[C@@H](C)C(=O)N(CC(F)(F)F)C2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)C[C@@H](C)C(=O)N(CC(F)(F)F)[*:1]
COc1ccc(C[C@@H](C)C(=O)N(CC(F)(F)F)C2CCCC2)cc1 FC(F)(F)C[*:1] COc1ccc(cc1)C[C@@H](C)C(=O)N(C1CCCC1)[*:1]
C=CCOc1ccc(N)c([N+](=O)[O-])c1 C=CC[*:1] Nc1ccc(cc1[N+](=O)[O-])O[*:1]
C=CCOc1ccc(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C=CCOc1ccc(N)c(c1)[*:1]
C=CCOc1ccc(N)c([N+](=O)[O-])c1 C=CCO[*:1] Nc1ccc(cc1[N+](=O)[O-])[*:1]
C/C(=C/CCCl)c1cccc(Cl)c1Cl ClCC[*:1] CC(=C[*:1])c1cccc(Cl)c1Cl
O=C1C[C@@H](NNc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 O=[N+]([O-])[*:1] O=C1C[C@@H](NNc2ccc(cc2)[*:1])C(=O)N1c1ccc(Cl)c(c1)C(F)(F)F
O=C1C[C@@H](NNc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1C[C@@H](NNc2ccc(cc2)[N+](=O)[O-])C(=O)N1c1ccc(Cl)c(c1)[*:1]
O=C1C[C@@H](NNc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1C[C@@H](NN[*:1])C(=O)N1c1ccc(Cl)c(c1)C(F)(F)F
Cc1nsc(N(C)C(=O)[C@@H](C)NC(N)=O)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(c1[*:1])N(C)C(=O)[C@@H](C)NC(N)=O
Cc1nsc(N(C)C(=O)[C@@H](C)NC(N)=O)c1C(=O)[O-] NC(=O)N[*:1] Cc1nsc(c1C(=O)[O-])N(C)C(=O)[C@@H](C)[*:1]
Cc1nsc(N(C)C(=O)[C@@H](C)NC(N)=O)c1C(=O)[O-] C[C@@H](NC(N)=O)[*:1] Cc1nsc(c1C(=O)[O-])N(C)C(=O)[*:1]
CC[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(OCC(N)=O)cc1 NC(=O)C[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(cc1)O[*:1]
CC[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(OCC(N)=O)cc1 NC(=O)[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(cc1)OC[*:1]
CC[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(OCC(N)=O)cc1 NC(=O)CO[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(cc1)[*:1]
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C1CCC1 C1CC(C1)[*:1] CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)NC[C@@H]3CC=CCC3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NC[C@@H]1CC=CCC1)N1CCN(CC1)C(=O)[*:1]
Cc1nc(C2CCN(C(=O)NCCc3ccccc3C)CC2)no1 Cc1nc(no1)[*:1] Cc1ccccc1CCNC(=O)N1CCC(CC1)[*:1]
Cc1nc(C2CCN(C(=O)NCCc3ccccc3C)CC2)no1 Cc1ccccc1[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)NCC[*:1]
Cc1nc(C2CCN(C(=O)NCCc3ccccc3C)CC2)no1 Cc1ccccc1C[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)NC[*:1]
NC(=O)c1ccc(NC(=O)CSC2=NC(=O)CC(c3ccccc3)=N2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)CSC1=NC(=O)CC(=N1)[*:1]
NC(=O)c1ccc(NC(=O)CSC2=NC(=O)CC(c3ccccc3)=N2)cc1 NC(=O)[*:1] O=C1CC(=NC(=N1)SCC(=O)Nc1ccc(cc1)[*:1])c1ccccc1
NC(=O)c1ccc(NC(=O)CSC2=NC(=O)CC(c3ccccc3)=N2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C1CC(=NC(=N1)SCC(=O)N[*:1])c1ccccc1
COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1CO O=[N+]([O-])[*:1] COc1ccc(cc1CO)NS(=O)(=O)c1cc(cc(C)c1C)[*:1]
CN(C)C(=O)c1ccc(CN(C)[C@@H]2CCCN(c3ccccc3)C2)[nH]1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(CN(C)[C@@H]2CCCN(C2)[*:1])[nH]1
CN(C)C(=O)c1ccc(CN(C)[C@@H]2CCCN(c3ccccc3)C2)[nH]1 CN(C)C(=O)[*:1] CN(Cc1ccc([nH]1)[*:1])[C@@H]1CCCN(C1)c1ccccc1
C=CCNC(=O)c1cc2sccc2n1C1CCCC1 C1CCC(C1)[*:1] C=CCNC(=O)c1cc2sccc2n1[*:1]
C=CCNC(=O)c1cc2sccc2n1C1CCCC1 C=CC[*:1] O=C(N[*:1])c1cc2sccc2n1C1CCCC1
C=CCNC(=O)c1cc2sccc2n1C1CCCC1 C=CCNC(=O)[*:1] c1cc2c(cc(n2C2CCCC2)[*:1])s1
CC(C)c1cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)on1 Fc1ccc(cc1)[*:1] CC(C)c1cc(on1)C(=O)N(C)CCCc1cc(n[nH]1)[*:1]
CC(C)c1cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)on1 CC(C)c1cc(on1)[*:1] CN(CCCc1cc(n[nH]1)-c1ccc(F)cc1)C(=O)[*:1]
CC(C)c1cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)on1 CC(C)[*:1] CN(CCCc1cc(n[nH]1)-c1ccc(F)cc1)C(=O)c1cc(no1)[*:1]
COc1cc(-c2nnc(NC(=O)c3ccccc3)o2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-c1nnc(NC(=O)[*:1])o1
Cc1cc(C)cc([C@@H](N)c2cccc(C(F)(F)F)c2F)c1 FC(F)(F)[*:1] Cc1cc(C)cc(c1)[C@@H](N)c1cccc(c1F)[*:1]
CN(C)C(=O)c1ccc(C[NH+]2CCC(OCC3CCCC3)CC2)[nH]1 CN(C)C(=O)[*:1] c1cc([nH]c1C[NH+]1CCC(CC1)OCC1CCCC1)[*:1]
CN(C)C(=O)c1ccc(C[NH+]2CCC(OCC3CCCC3)CC2)[nH]1 C1CCC(C1)CO[*:1] CN(C)C(=O)c1ccc(C[NH+]2CCC(CC2)[*:1])[nH]1
CN(C)C(=O)c1ccc(C[NH+]2CCC(OCC3CCCC3)CC2)[nH]1 C1CCC(C1)C[*:1] CN(C)C(=O)c1ccc(C[NH+]2CCC(CC2)O[*:1])[nH]1
CN(C)C(=O)c1ccc(C[NH+]2CCC(OCC3CCCC3)CC2)[nH]1 C1CCC(C1)[*:1] CN(C)C(=O)c1ccc(C[NH+]2CCC(CC2)OC[*:1])[nH]1
c1ccc(C[NH+]2CCC(NCc3cc[nH+]c(N4CCCCC4)c3)CC2)cc1 c1ccc(cc1)C[*:1] c1cc(cc([nH+]1)N1CCCCC1)CNC1CC[NH+](CC1)[*:1]
c1ccc(C[NH+]2CCC(NCc3cc[nH+]c(N4CCCCC4)c3)CC2)cc1 c1ccc(cc1)[*:1] c1cc(cc([nH+]1)N1CCCCC1)CNC1CC[NH+](CC1)C[*:1]
c1ccc(C[NH+]2CCC(NCc3cc[nH+]c(N4CCCCC4)c3)CC2)cc1 C1CCN(CC1)[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)NCc1cc[nH+]c(c1)[*:1]
CN(CCc1ccccn1)C(=O)NC[C@@H]1CC=CCC1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)NC[C@@H]1CC=CCC1
Cc1ccc(C(N)=O)c(O[C@H](C)C(=O)NCc2ccccc2C)c1 Cc1ccccc1C[*:1] Cc1ccc(C(N)=O)c(c1)O[C@H](C)C(=O)N[*:1]
Cc1ccc(C(N)=O)c(O[C@H](C)C(=O)NCc2ccccc2C)c1 NC(=O)[*:1] Cc1ccc(c(c1)O[C@H](C)C(=O)NCc1ccccc1C)[*:1]
Cc1ccc(C(N)=O)c(O[C@H](C)C(=O)NCc2ccccc2C)c1 Cc1ccccc1[*:1] Cc1ccc(C(N)=O)c(c1)O[C@H](C)C(=O)NC[*:1]
CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 O=[N+]([O-])[*:1] CN1C[C@@H](c2cccc(c2)[*:1])[C@H](C(=O)c2ccc3OCOc3c2)[C@]12C(=O)Nc1ccccc12
CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 O=[N+]([O-])c1cccc(c1)[*:1] CN1C[C@@H]([C@H](C(=O)c2ccc3OCOc3c2)[C@]12C(=O)Nc1ccccc12)[*:1]
CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 c1cc2OCOc2cc1[*:1] CN1C[C@@H](c2cccc(c2)[N+](=O)[O-])[C@H](C(=O)[*:1])[C@]12C(=O)Nc1ccccc12
CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 O=C(c1ccc2OCOc2c1)[*:1] CN1C[C@@H](c2cccc(c2)[N+](=O)[O-])[C@H]([C@]12C(=O)Nc1ccccc12)[*:1]
CC[C@@H](CO)NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 c1ccc(cc1)[*:1] CC[C@@H](CO)NC(=O)NCc1cn(nc1-c1ccncc1)[*:1]
CC[C@@H](CO)NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](CO)NC(=O)NCc1cn(nc1[*:1])-c1ccccc1
CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 CC(C)[*:1] C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1ccnn1[*:1]
CCN1C(=O)Cc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc21 c1ccc(cc1)[*:1] CCN1C(=O)Cc2cc(ccc21)NC(=O)C(c1ccccc1)[*:1]
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 c1csc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(cc2)[N+](=O)[O-])N1CCN1CCOCC1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 C1CN(CCO1)CC[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)[N+](=O)[O-])[*:1])c1cccs1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 O=C(c1cccs1)[*:1] O=C1C([O-])=C([C@H](c2ccc(cc2)[N+](=O)[O-])N1CCN1CCOCC1)[*:1]
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 O=[N+]([O-])[*:1] O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(cc1)[*:1])c1cccs1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1[*:1])c1cccs1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 C1CN(CCO1)[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccc(cc1)[N+](=O)[O-])c1cccs1
O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 C1CN(CCO1)C[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(cc1)[N+](=O)[O-])c1cccs1
C[C@H]1CC(C)(C)C[C@@](O)([C@@H](C)C#N)C1 C[C@@H](C#N)[*:1] C[C@H]1CC(C)(C)C[C@@](O)(C1)[*:1]
C[C@@H](OC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1 NC(=O)NC[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])c1ccccc1
C[C@@H](OC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1 NC(=O)N[*:1] C[C@@H](OC(=O)c1ccc(cc1)C[*:1])c1ccccc1
C[C@@H](OC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1ccc(cc1)CNC(N)=O)[*:1]
CC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccsc2)cc1 c1cc(cs1)[*:1] CC(=O)c1ccc(cc1)NC(=O)C(=O)NC[C@@](C)(O)[*:1]
CC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccsc2)cc1 CC(=O)[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccsc1
CC(C)Oc1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 CC(C)O[*:1] O=C(NCc1ccccc1[*:1])NC[C@@H]1CN2CCC[C@@H]2CO1
CC(C)Oc1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 CC(C)[*:1] O=C(NCc1ccccc1O[*:1])NC[C@@H]1CN2CCC[C@@H]2CO1
NC(=O)c1ccc(CCc2ccccc2)nc1Cl c1ccc(cc1)[*:1] NC(=O)c1ccc(CC[*:1])nc1Cl
NC(=O)c1ccc(CCc2ccccc2)nc1Cl NC(=O)[*:1] Clc1nc(ccc1[*:1])CCc1ccccc1
COCC(=O)N1CCC[C@@H](c2nc3c(c(C)[nH+]2)CCCN3Cc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] COCC(=O)N1CCC[C@H](C1)c1nc2c(CCCN2C[*:1])c(C)[nH+]1
COCC(=O)N1CCC[C@@H](c2nc3c(c(C)[nH+]2)CCCN3Cc2ccc(F)cc2)C1 COC[*:1] Cc1[nH+]c(nc2c1CCCN2Cc1ccc(F)cc1)[C@@H]1CCCN(C1)C(=O)[*:1]
COCC(=O)N1CCC[C@@H](c2nc3c(c(C)[nH+]2)CCCN3Cc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] COCC(=O)N1CCC[C@H](C1)c1nc2c(CCCN2[*:1])c(C)[nH+]1
C=CCC(CC=C)C(=O)N1CC=C(c2ccccc2Cl)CC1 C=CC[*:1] C=CCC(C(=O)N1CC=C(CC1)c1ccccc1Cl)[*:1]
C=CCC(CC=C)C(=O)N1CC=C(c2ccccc2Cl)CC1 C=CCC(CC=C)[*:1] O=C(N1CC=C(CC1)c1ccccc1Cl)[*:1]
C=CCC(CC=C)C(=O)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] C=CCC(CC=C)C(=O)N1CC=C(CC1)[*:1]
N#Cc1ccc(NC(=O)Oc2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)O[*:1]
CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccccc2O)c(F)c1 Oc1ccccc1[*:1] CC(=O)Nc1cc(F)c(c(F)c1)S(=O)(=O)N[*:1]
CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccccc2O)c(F)c1 CC(=O)N[*:1] O=S(=O)(Nc1ccccc1O)c1c(F)cc(cc1F)[*:1]
Cc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)noc2C)c(Cl)c1 Cc1noc(C)c1[*:1] Cc1ccc(NC(=O)N2CCC[C@H]2[*:1])c(Cl)c1
CC(C)CN(CC(C)C)C(=O)Cn1c(=O)cnc2ccccc21 CC(C)[*:1] CC(C)CN(C[*:1])C(=O)Cn1c(=O)cnc2ccccc21
CC(C)CN(CC(C)C)C(=O)Cn1c(=O)cnc2ccccc21 CC(C)C[*:1] CC(C)CN(C(=O)Cn1c(=O)cnc2ccccc21)[*:1]
O=C(CSCc1ccccc1)N1CC(c2nc(-c3cnccn3)no2)C1 c1ccc(cc1)C[*:1] O=C(CS[*:1])N1CC(C1)c1nc(no1)-c1cnccn1
O=C(CSCc1ccccc1)N1CC(c2nc(-c3cnccn3)no2)C1 c1ccc(cc1)CS[*:1] O=C(C[*:1])N1CC(C1)c1nc(no1)-c1cnccn1
O=C(CSCc1ccccc1)N1CC(c2nc(-c3cnccn3)no2)C1 c1ccc(cc1)[*:1] O=C(CSC[*:1])N1CC(C1)c1nc(no1)-c1cnccn1
O=C(CSCc1ccccc1)N1CC(c2nc(-c3cnccn3)no2)C1 c1cnc(cn1)[*:1] O=C(CSCc1ccccc1)N1CC(C1)c1nc(no1)[*:1]
Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1 c1ccc(cc1)COC[*:1] Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](C(=O)N2C1)[*:1]
Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1 c1ccc(cc1)C[*:1] Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](CO[*:1])C(=O)N2C1
Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1 c1ccc(cc1)CO[*:1] Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](C[*:1])C(=O)N2C1
Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1 c1ccc(cc1)[*:1] Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](COC[*:1])C(=O)N2C1
Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1 Cc1ccc(F)cc1[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1)N[*:1]
COC(=O)c1nscc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC COC(=O)[*:1] COc1ccc(cc1S(=O)(=O)[N-]c1csnc1[*:1])[N+](=O)[O-]
COC(=O)c1nscc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC O=[N+]([O-])[*:1] COC(=O)c1nscc1[N-]S(=O)(=O)c1cc(ccc1OC)[*:1]
Cn1c(C2CC2)nc2cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)[*:1]
Cc1cccc(CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)n1 CC(C)(C)[*:1] Cc1cccc(CNC(=O)C(=O)Nc2ccnn2[*:1])n1
Cc1cccc(CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)n1 Cc1cccc(n1)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)NC[*:1]
Cc1ccccc1CCNC(=O)C[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccccc1CCNC(=O)C[C@H](O)[*:1]
Cc1ccccc1CCNC(=O)C[C@H](O)c1ccc(Cl)cc1 Cc1ccccc1[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)NCC[*:1]
CCCn1c(=O)oc2cc(NC(=O)Nc3ccccc3)ccc21 CCC[*:1] O=C(Nc1ccccc1)Nc1ccc2c(c1)oc(=O)n2[*:1]
CCCn1c(=O)oc2cc(NC(=O)Nc3ccccc3)ccc21 c1ccc(cc1)[*:1] CCCn1c(=O)oc2cc(ccc21)NC(=O)N[*:1]
CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 CCC[*:1] c1cc2OCOc2cc1C[NH2+]C1CC[NH+](CC1)[*:1]
CCC[C@H](C)[NH2+][C@H](CO)c1ccc(CC)cc1 CCC[*:1] CCc1ccc(cc1)[C@@H](CO)[NH2+][C@@H](C)[*:1]
COCCN1[C@H](C)C[NH+](Cc2ccc([S@](C)=O)cc2)C[C@H]1C C[S@](=O)[*:1] COCCN1[C@H](C)C[NH+](Cc2ccc(cc2)[*:1])C[C@H]1C
COCCN1[C@H](C)C[NH+](Cc2ccc([S@](C)=O)cc2)C[C@H]1C COCC[*:1] C[C@@H]1C[NH+](Cc2ccc(cc2)[S@](C)=O)C[C@@H](C)N1[*:1]
COCCN1[C@H](C)C[NH+](Cc2ccc([S@](C)=O)cc2)C[C@H]1C COC[*:1] C[C@@H]1C[NH+](Cc2ccc(cc2)[S@](C)=O)C[C@@H](C)N1C[*:1]
CC[C@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 Fc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1cc2N[C@@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
CC[C@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 CC[C@H](C)[*:1] O=C(N[*:1])c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)c1ccc(F)cc1
CC[C@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 FC(F)(F)[*:1] CC[C@H](C)NC(=O)c1cc2N[C@H](C[C@H](n2n1)[*:1])c1ccc(F)cc1
CC[C@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 CC[C@H](C)NC(=O)[*:1] Fc1ccc(cc1)[C@H]1C[C@@H](n2nc(cc2N1)[*:1])C(F)(F)F
CC(=O)Nc1cccc(N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 c1ccc(cc1)O[*:1] CC(=O)Nc1cccc(c1)N[C@@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
CC(=O)Nc1cccc(N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 CC(=O)Nc1cccc(c1)[*:1] O=C1C[C@@H](N[*:1])C(=O)N1c1ccc(cc1)Oc1ccccc1
CC(=O)Nc1cccc(N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 CC(=O)N[*:1] O=C1C[C@@H](Nc2cccc(c2)[*:1])C(=O)N1c1ccc(cc1)Oc1ccccc1
CC(=O)Nc1cccc(N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)N[C@@H]1CC(=O)N(C1=O)c1ccc(cc1)O[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)Sc1nncs1 CCC[C@H](C)[*:1] C[C@@H](Sc1nncs1)C(=O)N[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)Sc1nncs1 CCC[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nncs1)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)Sc1nncs1 c1nnc(s1)[*:1] CCC[C@H](C)NC(=O)[C@@H](C)S[*:1]
COc1cc(F)cc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cc(F)cc(c1)CNC(=O)N[C@H](C[NH+]1CCCC1)[*:1]
COc1cc(F)cc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 COc1cc(F)cc(c1)[*:1] O=C(NC[*:1])N[C@H](C[NH+]1CCCC1)c1ccccc1
C=CCN(C(=O)COc1ccccc1C#N)c1nc(-c2ccccc2)cs1 N#Cc1ccccc1[*:1] C=CCN(C(=O)CO[*:1])c1nc(cs1)-c1ccccc1
C=CCN(C(=O)COc1ccccc1C#N)c1nc(-c2ccccc2)cs1 C=CC[*:1] N#Cc1ccccc1OCC(=O)N(c1nc(cs1)-c1ccccc1)[*:1]
C=CCN(C(=O)COc1ccccc1C#N)c1nc(-c2ccccc2)cs1 N#Cc1ccccc1O[*:1] C=CCN(C(=O)C[*:1])c1nc(cs1)-c1ccccc1
C=CCN(C(=O)COc1ccccc1C#N)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C=CCN(C(=O)COc1ccccc1C#N)c1nc(cs1)[*:1]
CN(CC1CC1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 c1cncc(c1)[*:1] CN(CC1CC1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1[*:1]
CN(CC1CC1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 C1CC1C[*:1] CN1C(=O)C[C@H](C(=O)N(C)[*:1])[C@@H]1c1cccnc1
CN(CC1CC1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 C1CC1[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1
COc1ccccc1-c1nc(C[NH2+][C@H](C)C(C)(C)C)cs1 CC(C)(C)[*:1] COc1ccccc1-c1nc(cs1)C[NH2+][C@H](C)[*:1]
O=C(c1ccccc1OC(F)F)N1CCC[C@@H](C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)C1 FC(F)O[*:1] O=C(c1ccccc1[*:1])N1CCC[C@H](C1)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21
O=C(c1ccccc1OC(F)F)N1CCC[C@@H](C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)C1 C1CC1[*:1] O=C(c1ccccc1OC(F)F)N1CCC[C@H](C1)C(=O)N([C@@H]1CCc2ccccc21)[*:1]
O=C(c1ccccc1OC(F)F)N1CCC[C@@H](C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)C1 FC(F)Oc1ccccc1[*:1] O=C([C@@H]1CCCN(C1)C(=O)[*:1])N(C1CC1)[C@@H]1CCc2ccccc21
O=C(c1ccccc1OC(F)F)N1CCC[C@@H](C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)C1 FC(F)[*:1] O=C(c1ccccc1O[*:1])N1CCC[C@H](C1)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21
CCCc1nc(CS(=O)(=O)Cc2ncc(-c3cccs3)o2)cs1 c1csc(c1)[*:1] CCCc1nc(cs1)CS(=O)(=O)Cc1ncc(o1)[*:1]
CCCc1nc(CS(=O)(=O)Cc2ncc(-c3cccs3)o2)cs1 CCC[*:1] O=S(=O)(Cc1csc(n1)[*:1])Cc1ncc(o1)-c1cccs1
Cn1ncc2c(NCc3ccccc3C[NH+]3CCN(c4ccccc4)CC3)ncnc21 Cn1ncc2c(ncnc21)[*:1] c1ccc(cc1)N1CC[NH+](CC1)Cc1ccccc1CN[*:1]
Cn1ncc2c(NCc3ccccc3C[NH+]3CCN(c4ccccc4)CC3)ncnc21 c1ccc(cc1)[*:1] Cn1ncc2c(ncnc21)NCc1ccccc1C[NH+]1CCN(CC1)[*:1]
O=C(CCN1C(=O)COc2ccccc21)OC1CCCCC1 C1CCC(CC1)[*:1] O=C(CCN1C(=O)COc2ccccc21)O[*:1]
O=C(CSc1ccccc1)[C@H]1CCCc2cccnc21 c1ccc(cc1)[*:1] O=C(CS[*:1])[C@H]1CCCc2cccnc21
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCCN(C(N)=O)C1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1C(=O)[C@@H]1CCCN(C1)C(N)=O)[*:1]
Cc1cc(Br)ccc1NC(=O)CCn1ncc(=O)c2ccccc21 Cc1cc(Br)ccc1[*:1] O=C(CCn1ncc(=O)c2ccccc21)N[*:1]
C[C@@H](NC(=O)CSCC(F)(F)F)[C@H]1CN(C)CCO1 FC(F)(F)[*:1] C[C@@H](NC(=O)CSC[*:1])[C@H]1CN(C)CCO1
C[C@@H](NC(=O)CSCC(F)(F)F)[C@H]1CN(C)CCO1 FC(F)(F)C[*:1] C[C@@H](NC(=O)CS[*:1])[C@H]1CN(C)CCO1
C[C@@H](NC(=O)CSCC(F)(F)F)[C@H]1CN(C)CCO1 FC(F)(F)CS[*:1] C[C@@H](NC(=O)C[*:1])[C@H]1CN(C)CCO1
CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 C1CN(CCO1)[*:1] CN(C[C@H](O)C[*:1])C(=O)N[C@H]1CCC[C@@H](C1)[NH+](C)C
CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 C1CN(CCO1)C[*:1] CN(C[C@H](O)[*:1])C(=O)N[C@H]1CCC[C@@H](C1)[NH+](C)C
CC(C)[C@@H](C)N(C(=O)NCc1csc(N(C)C)n1)C1CC1 CC(C)[*:1] C[C@@H](N(C(=O)NCc1csc(n1)N(C)C)C1CC1)[*:1]
CC(C)[C@@H](C)N(C(=O)NCc1csc(N(C)C)n1)C1CC1 C1CC1[*:1] CC(C)[C@@H](C)N(C(=O)NCc1csc(n1)N(C)C)[*:1]
CC(C)[C@@H](C)N(C(=O)NCc1csc(N(C)C)n1)C1CC1 CC(C)[C@@H](C)[*:1] CN(C)c1nc(cs1)CNC(=O)N(C1CC1)[*:1]
CC(C)[C@@H](C)N(C(=O)NCc1csc(N(C)C)n1)C1CC1 CN(C)[*:1] CC(C)[C@@H](C)N(C(=O)NCc1csc(n1)[*:1])C1CC1
O=C(/C=C(/NNC(=O)c1cccc(Br)c1)c1ccccc1)c1ccccc1 Brc1cccc(c1)[*:1] O=C(/C=C(/NNC(=O)[*:1])c1ccccc1)c1ccccc1
O=C(/C=C(/NNC(=O)c1cccc(Br)c1)c1ccccc1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(NNC(=C[*:1])c1ccccc1)c1cccc(Br)c1
O=C(/C=C(/NNC(=O)c1cccc(Br)c1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C(/NNC(=O)c1cccc(Br)c1)[*:1])c1ccccc1
O=C(/C=C(/NNC(=O)c1cccc(Br)c1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NN/C(=C/C(=O)[*:1])c1ccccc1)c1cccc(Br)c1
C[C@H](NC(=O)Cc1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(F)cc1
Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)o1 Cc1ccc(C[*:1])o1 O=C1Nc2cc(ccc2O/C1=C\c1cccc(Cl)c1)C(=O)N[*:1]
Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)o1 Clc1cccc(c1)[*:1] Cc1ccc(CNC(=O)c2ccc3OC(=C[*:1])C(=O)Nc3c2)o1
Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)o1 Cc1ccc(o1)[*:1] O=C1Nc2cc(ccc2O/C1=C\c1cccc(Cl)c1)C(=O)NC[*:1]
C[C@H](CNC(=O)c1cc[nH]n1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1cc[nH]n1)N1CCN(CC1)[*:1]
C[C@H](CNC(=O)c1cc[nH]n1)N1CCN(c2ccccc2)CC1 c1cc(n[nH]1)[*:1] C[C@H](CNC(=O)[*:1])N1CCN(CC1)c1ccccc1
Cc1nc2ccc(C(=O)NC[C@@H](C)N(C)c3ccccc3)cc2nc1C CN(c1ccccc1)[*:1] Cc1nc2ccc(cc2nc1C)C(=O)NC[C@@H](C)[*:1]
Cc1nc2ccc(C(=O)NC[C@@H](C)N(C)c3ccccc3)cc2nc1C c1ccc(cc1)[*:1] Cc1nc2ccc(cc2nc1C)C(=O)NC[C@@H](C)N(C)[*:1]
Cc1ccc2nc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)sc2c1 Cc1noc(C)c1[*:1] Cc1ccc2nc(NC(=O)Cc3ccc(cc3)OC[*:1])sc2c1
Cc1ccc2nc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)sc2c1 Cc1noc(C)c1C[*:1] Cc1ccc2nc(NC(=O)Cc3ccc(cc3)O[*:1])sc2c1
Cc1ccc2nc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)sc2c1 Cc1noc(C)c1CO[*:1] Cc1ccc2nc(NC(=O)Cc3ccc(cc3)[*:1])sc2c1
C[C@@H]1CN(c2nc3ccccc3s2)CCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H]1CN(CCN1C(=O)O[*:1])c1nc2ccccc2s1
O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 c1cc2OCCCOc2cc1[*:1] O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)N1CCC[C@H]1[*:1]
Cc1nc(-c2c[nH]c(C(=O)N(C)[C@H](C)Cc3cccs3)c2)cs1 Cc1nc(cs1)[*:1] C[C@H](Cc1cccs1)N(C)C(=O)c1cc(c[nH]1)[*:1]
Cc1nc(-c2c[nH]c(C(=O)N(C)[C@H](C)Cc3cccs3)c2)cs1 c1csc(c1)[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N(C)[C@H](C)C[*:1]
Cc1nc(-c2c[nH]c(C(=O)N(C)[C@H](C)Cc3cccs3)c2)cs1 c1csc(c1)C[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N(C)[C@H](C)[*:1]
O=C(N(CCO)Cc1ccccc1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1 c1ccc(cc1)[*:1] O=C(N(CCO)C[*:1])C1(CC1)c1cc(on1)-c1ccc(Cl)cc1
O=C(N(CCO)Cc1ccccc1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1 c1ccc(cc1)C[*:1] O=C(N(CCO)[*:1])C1(CC1)c1cc(on1)-c1ccc(Cl)cc1
O=C(N(CCO)Cc1ccccc1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1 Clc1ccc(cc1)[*:1] O=C(N(CCO)Cc1ccccc1)C1(CC1)c1cc(on1)[*:1]
O=C(N(CCO)Cc1ccccc1)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1 OCC[*:1] O=C(N(Cc1ccccc1)[*:1])C1(CC1)c1cc(on1)-c1ccc(Cl)cc1
CC[C@@H](CSC)N(C)S(=O)(=O)c1cccc2cc(C)cnc12 CSC[*:1] CC[C@@H](N(C)S(=O)(=O)c1cccc2cc(C)cnc12)[*:1]
COc1cccc(CCNC(=O)c2cc3c(Cl)cccc3n2C)c1 COc1cccc(c1)[*:1] Cn1c(cc2c(Cl)cccc21)C(=O)NCC[*:1]
CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)c2ccc(C)s2)C1(C)C Cc1ccc(s1)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)NNC(=O)[*:1])C1(C)C
CS[C@H](C)c1cccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 c1ccc2oc(nc2c1)[*:1] CS[C@H](C)c1cccc(c1)NC(=O)N1CCC(CC1)[*:1]
O=C(CN1CCN(c2ccc(F)cc2)CC1)NC1CCCC1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)[*:1])NC1CCCC1
O=C(CN1CCN(c2ccc(F)cc2)CC1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CN1CCN(CC1)c1ccc(F)cc1)N[*:1]
Cc1ccc(-c2cc(C(=O)N/N=C\c3ccoc3)c3ccccc3n2)s1 Cc1ccc(s1)[*:1] O=C(N/N=C\c1ccoc1)c1cc(nc2ccccc12)[*:1]
Cc1ccc(-c2cc(C(=O)N/N=C\c3ccoc3)c3ccccc3n2)s1 c1cc(co1)[*:1] Cc1ccc(s1)-c1cc(C(=O)NN=C[*:1])c2ccccc2n1
CC1(C)CCCN(C(=O)NC2CC2)CC1 C1CC1[*:1] CC1(C)CCCN(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)cc1F c1cncc(c1)[*:1] Cc1ccc(cc1F)NC(=O)CSc1ccc(nn1)-c1sc(nc1C)[*:1]
Cc1ccc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)cc1F Cc1ccc(cc1F)[*:1] Cc1nc(sc1-c1ccc(nn1)SCC(=O)N[*:1])-c1cccnc1
CCOC(=O)c1n[nH]cc1[C@@H]1CC(=O)Nc2c1cnn2Cc1cccnc1 c1cncc(c1)[*:1] CCOC(=O)c1n[nH]cc1[C@@H]1CC(=O)Nc2c1cnn2C[*:1]
CCOC(=O)c1n[nH]cc1[C@@H]1CC(=O)Nc2c1cnn2Cc1cccnc1 c1cncc(c1)C[*:1] CCOC(=O)c1n[nH]cc1[C@@H]1CC(=O)Nc2c1cnn2[*:1]
CCOC(=O)c1n[nH]cc1[C@@H]1CC(=O)Nc2c1cnn2Cc1cccnc1 CCOC(=O)[*:1] O=C1C[C@@H](c2c[nH]nc2[*:1])c2cnn(Cc3cccnc3)c2N1
CC(=O)c1ccc(OC(=O)c2ccc(N3CCCC3=O)cc2)cc1 CC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccc(cc1)N1CCCC1=O
CC(=O)c1ccc(OC(=O)c2ccc(N3CCCC3=O)cc2)cc1 O=C1CCCN1[*:1] CC(=O)c1ccc(cc1)OC(=O)c1ccc(cc1)[*:1]
CN(C)C(=O)Cc1nc(CN2C(=O)N[C@](C)(c3c(F)cccc3F)C2=O)cs1 Fc1cccc(F)c1[*:1] CN(C)C(=O)Cc1nc(cs1)CN1C(=O)N[C@](C)(C1=O)[*:1]
CN(C)C(=O)Cc1nc(CN2C(=O)N[C@](C)(c3c(F)cccc3F)C2=O)cs1 CN(C)C(=O)C[*:1] C[C@@]1(NC(=O)N(Cc2csc(n2)[*:1])C1=O)c1c(F)cccc1F
CN(C)C(=O)Cc1nc(CN2C(=O)N[C@](C)(c3c(F)cccc3F)C2=O)cs1 CN(C)C(=O)[*:1] C[C@@]1(NC(=O)N(Cc2csc(C[*:1])n2)C1=O)c1c(F)cccc1F
C[C@@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)c1ccc(F)cc1F FC(F)(F)CN[*:1] C[C@@H](Sc1nnc(s1)[*:1])C(=O)c1ccc(F)cc1F
C[C@@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)c1ccc(F)cc1F FC(F)(F)C[*:1] C[C@@H](Sc1nnc(N[*:1])s1)C(=O)c1ccc(F)cc1F
C[C@@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)c1ccc(F)cc1F FC(F)(F)[*:1] C[C@@H](Sc1nnc(NC[*:1])s1)C(=O)c1ccc(F)cc1F
C[C@@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](Sc1nnc(NCC(F)(F)F)s1)C(=O)[*:1]
COC(=O)c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1 COC(=O)[*:1] O=S(=O)([N-]c1nnc(s1)-c1ccccc1)c1cccc(c1)[*:1]
COC(=O)c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1 c1ccc(cc1)[*:1] COC(=O)c1cccc(c1)S(=O)(=O)[N-]c1nnc(s1)[*:1]
CCC(CC)[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccs1 CCC(CC)[*:1] O=C(N[C@@H](c1cccs1)[*:1])C1CCN(CC1)C(=O)C1CC1
CCC(CC)[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccs1 C1CC1[*:1] CCC(CC)[C@@H](NC(=O)C1CCN(CC1)C(=O)[*:1])c1cccs1
CCC(CC)[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccs1 c1csc(c1)[*:1] CCC(CC)[C@@H](NC(=O)C1CCN(CC1)C(=O)C1CC1)[*:1]
CN1C[C@]2(CCCN(C(=O)c3ccc(Cn4cccn4)o3)CC2)OC1=O c1cnn(c1)[*:1] CN1C[C@]2(CCCN(CC2)C(=O)c2ccc(C[*:1])o2)OC1=O
CN1C[C@]2(CCCN(C(=O)c3ccc(Cn4cccn4)o3)CC2)OC1=O c1cnn(c1)C[*:1] CN1C[C@]2(CCCN(CC2)C(=O)c2ccc(o2)[*:1])OC1=O
NC(=O)c1cc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)ccc1O NC(=O)[*:1] Oc1ccc(cc1[*:1])-c1csc(n1)-c1cccc(c1)C(F)(F)F
NC(=O)c1cc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)ccc1O FC(F)(F)[*:1] NC(=O)c1cc(ccc1O)-c1csc(n1)-c1cccc(c1)[*:1]
CC(C)[C@@H](C)N(C(=O)NC[C@H]1CCS(=O)(=O)C1)C1CC1 CC(C)[*:1] C[C@@H](N(C(=O)NC[C@H]1CCS(=O)(=O)C1)C1CC1)[*:1]
CC(C)[C@@H](C)N(C(=O)NC[C@H]1CCS(=O)(=O)C1)C1CC1 CC(C)[C@@H](C)[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)N(C1CC1)[*:1]
CC(C)[C@@H](C)N(C(=O)NC[C@H]1CCS(=O)(=O)C1)C1CC1 C1CC1[*:1] CC(C)[C@@H](C)N(C(=O)NC[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc2cccc(S(=O)(=O)NC[C@](C)(O)c3ccc(-c4ccccc4)cc3)c2n1 c1ccc(cc1)[*:1] Cc1ccc2cccc(c2n1)S(=O)(=O)NC[C@](C)(O)c1ccc(cc1)[*:1]
C[C@H](O)C[C@@H](C)CNC(=O)N[C@@H]1CCC(=O)N(C)C1 C[C@H](O)C[*:1] C[C@@H](CNC(=O)N[C@@H]1CCC(=O)N(C)C1)[*:1]
C[C@H](O)C[C@@H](C)CNC(=O)N[C@@H]1CCC(=O)N(C)C1 C[C@H](O)C[C@@H](C)[*:1] CN1C[C@@H](CCC1=O)NC(=O)NC[*:1]
C[C@H](O)C[C@@H](C)CNC(=O)N[C@@H]1CCC(=O)N(C)C1 C[C@H](O)[*:1] C[C@@H](CNC(=O)N[C@@H]1CCC(=O)N(C)C1)C[*:1]
COc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O COc1ccccc1[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2OCCCOc2c1
Cc1cc(C)cc(C[NH2+][C@@H](C)CCCCl)c1 ClCCC[*:1] Cc1cc(C)cc(c1)C[NH2+][C@@H](C)[*:1]
Cc1cc(C)cc(C[NH2+][C@@H](C)CCCCl)c1 ClCC[*:1] Cc1cc(C)cc(c1)C[NH2+][C@@H](C)C[*:1]
COC(=O)/C=C/Cn1nnc2ccccc21 COC(=O)[*:1] C(=C[*:1])Cn1nnc2ccccc21
CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc2c(c1)OCO2 O=C(C[*:1])NC1CC1 CS(=O)(=O)N(c1ccc2OCOc2c1)[*:1]
CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc2c(c1)OCO2 O=C(NC1CC1)[*:1] CS(=O)(=O)N(C[*:1])c1ccc2OCOc2c1
CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc2c(c1)OCO2 C1CC1[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccc2OCOc2c1
N#CC(C(=O)CSc1nc(-c2cccs2)n[nH]1)=C1Nc2ccccc2N1 c1csc(c1)[*:1] N#CC(C(=O)CSc1nc(n[nH]1)[*:1])=C1Nc2ccccc2N1
COC(=O)c1ccc(NC(=O)[C@@](C)(N)C(F)(F)F)cc1 COC(=O)[*:1] C[C@@](N)(C(=O)Nc1ccc(cc1)[*:1])C(F)(F)F
COC(=O)c1ccc(NC(=O)[C@@](C)(N)C(F)(F)F)cc1 FC(F)(F)[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@@](C)(N)[*:1]
CN(Cc1ccccc1)c1ccccc1NC(=O)N[C@@](C)(CO)C1CC1 C1CC1[*:1] CN(Cc1ccccc1)c1ccccc1NC(=O)N[C@@](C)(CO)[*:1]
CN(Cc1ccccc1)c1ccccc1NC(=O)N[C@@](C)(CO)C1CC1 c1ccc(cc1)[*:1] CN(C[*:1])c1ccccc1NC(=O)N[C@@](C)(CO)C1CC1
CN(Cc1ccccc1)c1ccccc1NC(=O)N[C@@](C)(CO)C1CC1 c1ccc(cc1)C[*:1] CN(c1ccccc1NC(=O)N[C@@](C)(CO)C1CC1)[*:1]
C[C@@H](Sc1nc([O-])c2cnn(-c3ccccc3)c2n1)C(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@@H](Sc1nc([O-])c2cnn(c2n1)[*:1])C(=O)Nc1ccc(Cl)cc1
C[C@@H](Sc1nc([O-])c2cnn(-c3ccccc3)c2n1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](Sc1nc([O-])c2cnn(-c3ccccc3)c2n1)C(=O)N[*:1]
COc1ccccc1CNC(=O)C[S@@](=O)Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COc1ccccc1CNC(=O)C[S@@](=O)C[*:1]
COc1ccccc1CNC(=O)C[S@@](=O)Cc1ccc(F)c(F)c1 COc1ccccc1[*:1] O=C(C[S@@](=O)Cc1ccc(F)c(F)c1)NC[*:1]
Cc1nc(-c2ccccc2)sc1CS(=O)(=O)c1cccc(F)c1 c1ccc(cc1)[*:1] Cc1nc(sc1CS(=O)(=O)c1cccc(F)c1)[*:1]
Cc1nc(-c2ccccc2)sc1CS(=O)(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nc(sc1CS(=O)(=O)[*:1])-c1ccccc1
CC(C)[C@@H](SC(=O)c1ccccc1)n1nnc2ccccc21 CC(C)[*:1] O=C(S[C@@H](n1nnc2ccccc21)[*:1])c1ccccc1
CC(C)[C@@H](SC(=O)c1ccccc1)n1nnc2ccccc21 c1ccc(cc1)[*:1] CC(C)[C@@H](SC(=O)[*:1])n1nnc2ccccc21
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1C[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1[*:1]
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](N1C[C@H]1CCCO1)[*:1]
Cc1ccc(C)c(NC(=O)Cn2cccc3c(=O)n(Cc4cccs4)c(=O)nc2-3)c1 c1csc(c1)[*:1] Cc1ccc(C)c(c1)NC(=O)Cn1cccc2-c1nc(=O)n(C[*:1])c2=O
Cc1ccc(C)c(NC(=O)Cn2cccc3c(=O)n(Cc4cccs4)c(=O)nc2-3)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cn1cccc2-c1nc(=O)n(Cc1cccs1)c2=O)N[*:1]
Cc1ccc(C)c(NC(=O)Cn2cccc3c(=O)n(Cc4cccs4)c(=O)nc2-3)c1 c1csc(c1)C[*:1] Cc1ccc(C)c(c1)NC(=O)Cn1cccc2-c1nc(=O)n(c2=O)[*:1]
C=C(C)CN(CC)C(=O)NC[C@H](C)c1ccc(F)c(F)c1 C=C(C)[*:1] CCN(C[*:1])C(=O)NC[C@H](C)c1ccc(F)c(F)c1
C=C(C)CN(CC)C(=O)NC[C@H](C)c1ccc(F)c(F)c1 C=C(C)C[*:1] CCN(C(=O)NC[C@H](C)c1ccc(F)c(F)c1)[*:1]
CCOc1cc2c(cc1CN1C(=O)[C@H]3C[C@H]3C1=O)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)CN1C(=O)[C@H]2C[C@H]2C1=O)[*:1]
C[C@@H]1CCC[C@@H](CSCCCCS(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@@H]1CCC[C@@H](CSCCCC[*:1])C1
C[C@@H]1CCC[C@@H](CSCCCCS(C)(=O)=O)C1 CS(=O)(=O)C[*:1] C[C@@H]1CCC[C@@H](CSCCC[*:1])C1
COCC[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N COC[*:1] C[C@@H](C[*:1])C(=O)Nc1sc(cc1C#N)-c1ccccc1
COCC[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N c1ccc(cc1)[*:1] COCC[C@H](C)C(=O)Nc1sc(cc1C#N)[*:1]
COCC[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N COCC[C@H](C)[*:1] N#Cc1cc(sc1NC(=O)[*:1])-c1ccccc1
COCC[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1C#N COCC[*:1] C[C@H](C(=O)Nc1sc(cc1C#N)-c1ccccc1)[*:1]
CC(=O)NCCNC(=O)CSc1cccc(N)c1 CC(=O)NCC[*:1] Nc1cccc(c1)SCC(=O)N[*:1]
CC(=O)NCCNC(=O)CSc1cccc(N)c1 CC(=O)N[*:1] Nc1cccc(c1)SCC(=O)NCC[*:1]
CC(=O)NCCNC(=O)CSc1cccc(N)c1 CC(=O)NC[*:1] Nc1cccc(c1)SCC(=O)NC[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)c1cccc(N2CCCS2(=O)=O)c1 O=S1(=O)CCCN1[*:1] C[C@@H](c1ccncc1)N(C)C(=O)c1cccc(c1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)c1cccc(N2CCCS2(=O)=O)c1 C[C@@H](c1ccncc1)[*:1] CN(C(=O)c1cccc(c1)N1CCCS1(=O)=O)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)c1cccc(N2CCCS2(=O)=O)c1 c1cc(ccn1)[*:1] C[C@@H](N(C)C(=O)c1cccc(c1)N1CCCS1(=O)=O)[*:1]
C=CCn1c(SCc2csc(CC)n2)nc2ccc(Cl)cc2c1=O CCc1nc(cs1)C[*:1] C=CCn1c(nc2ccc(Cl)cc2c1=O)S[*:1]
C=CCn1c(SCc2csc(CC)n2)nc2ccc(Cl)cc2c1=O CCc1nc(cs1)[*:1] C=CCn1c(nc2ccc(Cl)cc2c1=O)SC[*:1]
C=CCn1c(SCc2csc(CC)n2)nc2ccc(Cl)cc2c1=O C=CC[*:1] CCc1nc(cs1)CSc1nc2ccc(Cl)cc2c(=O)n1[*:1]
O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccc(Cl)cc1)Cc1ccco1 Clc1ccc(cc1)C[*:1] O=C(C1OCCS(=O)(=O)C=1c1ccccc1)N(Cc1ccco1)[*:1]
O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccc(Cl)cc1)Cc1ccco1 c1ccc(cc1)[*:1] O=C(C1OCCS(=O)(=O)C=1[*:1])N(Cc1ccc(Cl)cc1)Cc1ccco1
O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccc(Cl)cc1)Cc1ccco1 c1coc(c1)C[*:1] O=C(C1OCCS(=O)(=O)C=1c1ccccc1)N(Cc1ccc(Cl)cc1)[*:1]
O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccc(Cl)cc1)Cc1ccco1 Clc1ccc(cc1)[*:1] O=C(C1OCCS(=O)(=O)C=1c1ccccc1)N(Cc1ccco1)C[*:1]
O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccc(Cl)cc1)Cc1ccco1 c1coc(c1)[*:1] O=C(C1OCCS(=O)(=O)C=1c1ccccc1)N(Cc1ccc(Cl)cc1)C[*:1]
Cc1ccc(-c2noc(COc3ccc(C=O)cc3[N+](=O)[O-])n2)cc1F Cc1ccc(cc1F)[*:1] O=Cc1ccc(OCc2nc(no2)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(-c2noc(COc3ccc(C=O)cc3[N+](=O)[O-])n2)cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1F)-c1noc(COc2ccc(C=O)cc2[*:1])n1
CCc1nn(C)cc1C(=O)NC[C@H](C)CN1CCOCC1 C1CN(CCO1)C[*:1] CCc1nn(C)cc1C(=O)NC[C@H](C)[*:1]
CCc1nn(C)cc1C(=O)NC[C@H](C)CN1CCOCC1 C1CN(CCO1)[*:1] CCc1nn(C)cc1C(=O)NC[C@H](C)C[*:1]
CN(Cc1ccccc1Br)C(=O)Nc1ccn(Cc2ccccc2)n1 Brc1ccccc1C[*:1] CN(C(=O)Nc1ccn(Cc2ccccc2)n1)[*:1]
CN(Cc1ccccc1Br)C(=O)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CN(Cc1ccccc1Br)C(=O)Nc1ccn(n1)[*:1]
CN(Cc1ccccc1Br)C(=O)Nc1ccn(Cc2ccccc2)n1 Brc1ccccc1[*:1] CN(C[*:1])C(=O)Nc1ccn(Cc2ccccc2)n1
CN(Cc1ccccc1Br)C(=O)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CN(Cc1ccccc1Br)C(=O)Nc1ccn(C[*:1])n1
C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1C(=O)c2ccccc2C1=O c1cc2OCOc2cc1C[*:1] C[C@@H](C(=O)N1CCN(CC1)[*:1])N1C(=O)c2ccccc2C1=O
C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1C(=O)c2ccccc2C1=O c1cc2OCOc2cc1[*:1] C[C@@H](C(=O)N1CCN(CC1)C[*:1])N1C(=O)c2ccccc2C1=O
CC(C)c1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)c2cnn(C(C)C)c2n1 CC(C)(C)[*:1] CC(C)c1cc(C(=O)Nc2cnc(nc2)[*:1])c2cnn(c2n1)C(C)C
CC(C)c1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)c1cc(C(=O)Nc2cnc(nc2)C(C)(C)C)c2cnn(c2n1)[*:1]
CC(C)c1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)Nc1cnc(nc1)C(C)(C)C
Cc1cc(/C([O-])=C(\C#N)C(=O)c2nccn2C)c(C)cc1Br Cn1ccnc1[*:1] Cc1cc(/C([O-])=C(\C#N)C(=O)[*:1])c(C)cc1Br
CC(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](CO)C(C)C)cc1C CC(C)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N(Cc1ccccc1)[C@@H](CO)[*:1]
CC(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](CO)C(C)C)cc1C c1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1C)NC(=O)N([C@@H](CO)C(C)C)[*:1]
CC(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](CO)C(C)C)cc1C c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N(C[*:1])[C@@H](CO)C(C)C
CC(=O)c1ccc(NC(=O)N(Cc2ccccc2)[C@@H](CO)C(C)C)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N(Cc1ccccc1)[C@@H](CO)C(C)C
O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 c1csc(c1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(CC1)C(=O)[C@H]1C[C@H]1[*:1]
O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc(N2CCCCS2(=O)=O)cc1 O=S1(=O)CCCCN1[*:1] O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc(cc1)[*:1]
Fc1ccc(NCc2ccoc2)c(OCC(F)(F)F)c1 c1cc(co1)[*:1] Fc1ccc(NC[*:1])c(c1)OCC(F)(F)F
Fc1ccc(NCc2ccoc2)c(OCC(F)(F)F)c1 c1cc(co1)C[*:1] Fc1ccc(N[*:1])c(c1)OCC(F)(F)F
Fc1ccc(NCc2ccoc2)c(OCC(F)(F)F)c1 FC(F)(F)[*:1] Fc1ccc(NCc2ccoc2)c(c1)OC[*:1]
Fc1ccc(NCc2ccoc2)c(OCC(F)(F)F)c1 FC(F)(F)C[*:1] Fc1ccc(NCc2ccoc2)c(c1)O[*:1]
Fc1ccc(NCc2ccoc2)c(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] Fc1ccc(NCc2ccoc2)c(c1)[*:1]
O=C(NCc1ccnc(-n2cccn2)c1)Nc1cccnc1-n1cccn1 c1cnn(c1)[*:1] O=C(NCc1ccnc(c1)[*:1])Nc1cccnc1-n1cccn1
O=C(NCc1ccnc(-n2cccn2)c1)Nc1cccnc1-n1cccn1 c1cnn(c1)[*:1] O=C(NCc1ccnc(c1)-n1cccn1)Nc1cccnc1[*:1]
O=[N+]([O-])c1ccc(Cc2n[nH]c(-c3cnccn3)n2)cc1 O=[N+]([O-])[*:1] c1cnc(cn1)-c1nc(Cc2ccc(cc2)[*:1])n[nH]1
O=[N+]([O-])c1ccc(Cc2n[nH]c(-c3cnccn3)n2)cc1 c1cnc(cn1)[*:1] O=[N+]([O-])c1ccc(cc1)Cc1n[nH]c(n1)[*:1]
Cc1cc(NC(=O)CCOC2CCOCC2)ncc1Br C1CC(CCO1)[*:1] Cc1cc(ncc1Br)NC(=O)CCO[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H](NC(C)=O)C1 CC(=O)N[*:1] CCc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)[*:1]
O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C1NC(C(=O)N1CC(=O)[*:1])(c1ccccc1)c1ccccc1
O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(Cl)s1 O=C(c1ccc(Cl)s1)[*:1] O=C1NC(C(=O)N1C[*:1])(c1ccccc1)c1ccccc1
O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(Cl)s1 c1ccc(cc1)[*:1] O=C(CN1C(=O)NC(C1=O)(c1ccccc1)[*:1])c1ccc(Cl)s1
O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(Cl)s1 O=C(C[*:1])c1ccc(Cl)s1 O=C1NC(C(=O)N1[*:1])(c1ccccc1)c1ccccc1
O=C(C1=C([O-])C(=O)N(CCO)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 OCC[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(Cl)cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(C1=C([O-])C(=O)N(CCO)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(Cl)cc2)N1CCO
O=C(C1=C([O-])C(=O)N(CCO)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(C1=C([O-])C(=O)N(CCO)[C@H]1c1ccc(Cl)cc1)c1ccc(cc1)[*:1]
O=C(C1=C([O-])C(=O)N(CCO)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 Clc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CCO)[C@@H]1[*:1])c1ccc(cc1)[N+](=O)[O-]
C=CCNC(=S)N/C(=N/O)c1ccncc1 C=CC[*:1] O/N=C(/NC(=S)N[*:1])c1ccncc1
C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cccc(OCC)c1 CCOc1cccc(c1)[*:1] C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1[*:1]
C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cccc(OCC)c1 C=CC[*:1] CCOc1cccc(c1)[C@@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1[*:1]
C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cccc(OCC)c1 CCO[*:1] C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cccc(c1)[*:1]
CCN1CCc2nc(NC(=O)c3ccc(Br)s3)sc2C1 Brc1ccc(s1)[*:1] CCN1CCc2nc(NC(=O)[*:1])sc2C1
CC(C)c1cc(NC(=O)CCc2nc(-c3ccncc3)no2)no1 c1cc(ccn1)[*:1] CC(C)c1cc(no1)NC(=O)CCc1nc(no1)[*:1]
CC(C)c1cc(NC(=O)CCc2nc(-c3ccncc3)no2)no1 CC(C)c1cc(no1)[*:1] O=C(CCc1nc(no1)-c1ccncc1)N[*:1]
CC(C)c1cc(NC(=O)CCc2nc(-c3ccncc3)no2)no1 CC(C)[*:1] O=C(CCc1nc(no1)-c1ccncc1)Nc1cc(on1)[*:1]
Cc1cc(F)ccc1CCNC(=O)NCC/N=C(\O)c1ncccc1O Cc1cc(F)ccc1[*:1] O=C(NCC/N=C(\O)c1ncccc1O)NCC[*:1]
Cc1cc(F)ccc1CCNC(=O)NCC/N=C(\O)c1ncccc1O Oc1cccnc1[*:1] Cc1cc(F)ccc1CCNC(=O)NCC/N=C(\O)[*:1]
Cc1[nH+]c([C@H]2CCCCN2C(=O)Cc2ccccn2)nc2c1CCCN2Cc1ccccc1 c1ccc(C[*:1])nc1 Cc1[nH+]c(nc2c1CCCN2Cc1ccccc1)[C@H]1CCCCN1C(=O)[*:1]
Cc1[nH+]c([C@H]2CCCCN2C(=O)Cc2ccccn2)nc2c1CCCN2Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH+]c(nc2c1CCCN2[*:1])[C@H]1CCCCN1C(=O)Cc1ccccn1
Cc1[nH+]c([C@H]2CCCCN2C(=O)Cc2ccccn2)nc2c1CCCN2Cc1ccccc1 c1ccc(nc1)[*:1] Cc1[nH+]c(nc2c1CCCN2Cc1ccccc1)[C@H]1CCCCN1C(=O)C[*:1]
Cc1[nH+]c([C@H]2CCCCN2C(=O)Cc2ccccn2)nc2c1CCCN2Cc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH+]c(nc2c1CCCN2C[*:1])[C@H]1CCCCN1C(=O)Cc1ccccn1
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)N1CCC[C@H]2CCCC[C@H]21 c1ccc(cc1)[*:1] O=C1NC(C(=O)N1CC(=O)N1CCC[C@H]2CCCC[C@H]21)(c1ccccc1)[*:1]
O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)NC[C@H](O)c1ccco1 c1ccc(cc1)C[*:1] O=C(NC[C@H]1CN(CCO1)[*:1])NC[C@H](O)c1ccco1
O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)NC[C@H](O)c1ccco1 O[C@H](c1ccco1)[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)NC[*:1]
O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)NC[C@H](O)c1ccco1 c1coc(c1)[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)NC[C@H](O)[*:1]
O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)NC[C@H](O)c1ccco1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CN(CCO1)C[*:1])NC[C@H](O)c1ccco1
C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccn1)c1ccccc1N(C)C c1ccc(nc1)[*:1] C[C@H](OC(=O)[C@@H]1CCCN1C(=O)[*:1])c1ccccc1N(C)C
C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccn1)c1ccccc1N(C)C CN(C)c1ccccc1[*:1] C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccn1)[*:1]
C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccn1)c1ccccc1N(C)C CN(C)[*:1] C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccn1)c1ccccc1[*:1]
CC(C)OCCCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 CC(C)O[*:1] O=c1ccc2cc(ccc2[nH]1)S(=O)(=O)NCCC[*:1]
CC(C)OCCCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 CC(C)OCCC[*:1] O=c1ccc2cc(ccc2[nH]1)S(=O)(=O)N[*:1]
CC(C)OCCCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 CC(C)OCC[*:1] O=c1ccc2cc(ccc2[nH]1)S(=O)(=O)NC[*:1]
CC(C)OCCCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 CC(C)OC[*:1] O=c1ccc2cc(ccc2[nH]1)S(=O)(=O)NCC[*:1]
CC(C)OCCCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 CC(C)[*:1] O=c1ccc2cc(ccc2[nH]1)S(=O)(=O)NCCCO[*:1]
COC(=O)C[C@@H](C)NC(=O)c1cnc2sc(C)cn2c1=O COC(=O)C[C@@H](C)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[*:1]
COC(=O)C[C@@H](C)NC(=O)c1cnc2sc(C)cn2c1=O COC(=O)C[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@H](C)[*:1]
COC(=O)C[C@@H](C)NC(=O)c1cnc2sc(C)cn2c1=O COC(=O)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@H](C)C[*:1]
Cc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cnc(-c3ccccc3)s2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@H]1CCCN1C(=O)C(=O)Nc1cnc(s1)[*:1]
Cc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cnc(-c3ccccc3)s2)o1 Cc1ccc(o1)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)C(=O)N1CCC[C@@H]1[*:1]
COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 COC(=O)CC[*:1] C[C@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)[*:1])[C@@H]3CC1)C2
COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 COC(=O)[*:1] C[C@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)CC[*:1])[C@@H]3CC1)C2
COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 COC(=O)CCC(=O)O[*:1] C[C@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C[*:1])[C@@H]3CC1)C2
COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 COC(=O)C[*:1] C[C@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)C[*:1])[C@@H]3CC1)C2
NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 NS(=O)(=O)[*:1] O=C1CCCc2cc(Br)c(cc2N1)[*:1]
COC(=O)[C@]1(C(C)C)O[C@@]12CCc1ccccc1C2 CC(C)[*:1] COC(=O)[C@@]1(O[C@@]12CCc1ccccc1C2)[*:1]
COC(=O)[C@]1(C(C)C)O[C@@]12CCc1ccccc1C2 COC(=O)[*:1] CC(C)[C@@]1(O[C@@]12CCc1ccccc1C2)[*:1]
Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)Nc1nc2c(C)cccc2s1 c1cc(ccn1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)Nc1nc2c(C)cccc2s1)[*:1]
C/C(=N/NC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1ccco1 Clc1ccc(cc1)[*:1] C/C(=N/NC(=O)c1sc(cc1N)[*:1])c1ccco1
C/C(=N/NC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1ccco1 c1coc(c1)[*:1] CC(=NNC(=O)c1sc(cc1N)-c1ccc(Cl)cc1)[*:1]
CC(=O)N[C@@H](C(=O)NNC(=O)Cc1ccccc1F)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)NNC(=O)Cc1ccccc1F)[*:1]
CC(=O)N[C@@H](C(=O)NNC(=O)Cc1ccccc1F)C1CCCC1 Fc1ccccc1[*:1] CC(=O)N[C@@H](C(=O)NNC(=O)C[*:1])C1CCCC1
CC(=O)N[C@@H](C(=O)NNC(=O)Cc1ccccc1F)C1CCCC1 CC(=O)N[*:1] O=C(Cc1ccccc1F)NNC(=O)[C@@H](C1CCCC1)[*:1]
CC(=O)N[C@@H](C(=O)NNC(=O)Cc1ccccc1F)C1CCCC1 Fc1ccccc1C[*:1] CC(=O)N[C@@H](C(=O)NNC(=O)[*:1])C1CCCC1
CC(=O)N1CCN(C(=O)CCNC(=O)COc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)CCNC(=O)CO[*:1]
CC(=O)N1CCN(C(=O)CCNC(=O)COc2ccc(C)cc2)CC1 Cc1ccc(cc1)O[*:1] CC(=O)N1CCN(CC1)C(=O)CCNC(=O)C[*:1]
CCCn1c(=O)n(CCC(=O)NC2CC(C)C2)c2ccccc21 CCC[*:1] CC1CC(C1)NC(=O)CCn1c(=O)n(c2ccccc21)[*:1]
CCCn1c(=O)n(CCC(=O)NC2CC(C)C2)c2ccccc21 CC1CC(C1)[*:1] CCCn1c(=O)n(CCC(=O)N[*:1])c2ccccc21
COC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCN(C1)c1ncnc2c1nc1CCCCCn12
COC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cc1 COC(=O)c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ncnc2c1nc1CCCCCn12
CC(C)CC[NH2+][C@@H]1CCCc2cccnc21 CC(C)[*:1] c1cnc2c(c1)CCC[C@H]2[NH2+]CC[*:1]
CC(C)CC[NH2+][C@@H]1CCCc2cccnc21 CC(C)CC[*:1] c1cnc2c(c1)CCC[C@H]2[NH2+][*:1]
CC(C)CC[NH2+][C@@H]1CCCc2cccnc21 CC(C)C[*:1] c1cnc2c(c1)CCC[C@H]2[NH2+]C[*:1]
C[C@@H](O)CCNC(=O)N[C@H](Cc1ccccc1)c1ccccc1F C[C@@H](O)C[*:1] O=C(NC[*:1])N[C@H](Cc1ccccc1)c1ccccc1F
C[C@@H](O)CCNC(=O)N[C@H](Cc1ccccc1)c1ccccc1F Fc1ccccc1[*:1] C[C@@H](O)CCNC(=O)N[C@H](Cc1ccccc1)[*:1]
C[C@@H](O)CCNC(=O)N[C@H](Cc1ccccc1)c1ccccc1F c1ccc(cc1)C[*:1] C[C@@H](O)CCNC(=O)N[C@H](c1ccccc1F)[*:1]
C[C@@H](O)CCNC(=O)N[C@H](Cc1ccccc1)c1ccccc1F c1ccc(cc1)[*:1] C[C@@H](O)CCNC(=O)N[C@H](C[*:1])c1ccccc1F
C[C@@H](O)CCNC(=O)N[C@H](Cc1ccccc1)c1ccccc1F C[C@@H](O)CC[*:1] O=C(N[C@H](Cc1ccccc1)c1ccccc1F)N[*:1]
C[C@@H](O)CCNC(=O)N[C@H](Cc1ccccc1)c1ccccc1F C[C@@H](O)[*:1] O=C(NCC[*:1])N[C@H](Cc1ccccc1)c1ccccc1F
CCC(C)(C)NC(=O)CN(C)C(=O)c1ccc(Br)s1 CCC(C)(C)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(Br)s1
CCC(C)(C)NC(=O)CN(C)C(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] CCC(C)(C)NC(=O)CN(C)C(=O)[*:1]
Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 c1cc2OCOc2cc1[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3ccc(cc3)[N+](=O)[O-])Oc21)C[*:1]
Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 O=[N+]([O-])[*:1] Cc1c2OCN(Cc3ccc4OCOc4c3)Cc2cc2C(=O)/C(=C/c3ccc(cc3)[*:1])Oc21
Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1c2OCN(Cc3ccc4OCOc4c3)Cc2cc2C(=O)C(=C[*:1])Oc21
Cc1c2c(cc3c1O/C(=C\c1ccc([N+](=O)[O-])cc1)C3=O)CN(Cc1ccc3c(c1)OCO3)CO2 c1cc2OCOc2cc1C[*:1] Cc1c2OCN(Cc2cc2C(=O)/C(=C/c3ccc(cc3)[N+](=O)[O-])Oc21)[*:1]
C[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CCN(CC1)[*:1]
C[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1 FC(F)(F)C[*:1] C[C@@H]([NH2+]CC(=O)N1CCN(CC1)Cc1ccccc1)[*:1]
C[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CCN(CC1)C[*:1]
C[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1 FC(F)(F)[*:1] C[C@@H](C[*:1])[NH2+]CC(=O)N1CCN(CC1)Cc1ccccc1
Cc1cc(NC(=O)N[C@@H](C)c2ccccc2Br)no1 Cc1cc(no1)[*:1] C[C@H](NC(=O)N[*:1])c1ccccc1Br
CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN2C(=O)c2cccc(F)c2)cc1 CC(C)[*:1] O=C(N[*:1])c1ccc(cc1)OC[C@@H]1CCCN1C(=O)c1cccc(F)c1
CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN2C(=O)c2cccc(F)c2)cc1 CC(C)NC(=O)[*:1] O=C(c1cccc(F)c1)N1CCC[C@H]1COc1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN2C(=O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CC(C)NC(=O)c1ccc(cc1)OC[C@@H]1CCCN1C(=O)[*:1]
CC1(C)C(N2CC[NH2+][C@@H](C3CCCCC3)C2)C1(C)C C1CCC(CC1)[*:1] CC1(C)C(N2CC[NH2+][C@@H](C2)[*:1])C1(C)C
C[C@@H](C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1)N1C(=O)c2ccccc2C1=O c1coc(c1)[*:1] C[C@@H](C(=O)OCC(=O)N1CCN(CC1)C(=O)[*:1])N1C(=O)c2ccccc2C1=O
COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(C2CCCC2)C4)cc1OC C1CCC(C1)[*:1] COc1ccc(cc1OC)-c1c(C)oc2c3CN(COc3ccc2c1=O)[*:1]
COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(C2CCCC2)C4)cc1OC COc1ccc(cc1OC)[*:1] Cc1oc2c3CN(COc3ccc2c(=O)c1[*:1])C1CCCC1
CCCCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 CCC[*:1] Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)SC[*:1]
CCCCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 CCCC[*:1] Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)S[*:1]
CCCCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 Cc1c(Cl)cccc1[*:1] CCCCSc1nc2NC(=O)C[C@@H](C(=O)N[*:1])c2c(=O)[nH]1
CCCCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 CCCCS[*:1] Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
CCc1ccc(C)[n+](CC(=O)Nc2ccc(C(C)C)cc2)c1 CC(C)[*:1] CCc1ccc(C)[n+](c1)CC(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1O[C@H](C)C(=O)Oc1cccc(C(=O)[O-])c1 Cc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)Oc1cccc(c1)C(=O)[O-]
Cc1ccccc1O[C@H](C)C(=O)Oc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccccc1O[C@H](C)C(=O)Oc1cccc(c1)[*:1]
C=CCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(C)c(C)cc21 C=CC[*:1] Cc1cc2s/c(=N\C(=O)c3ccc(cc3)S(C)(=O)=O)n(c2cc1C)[*:1]
C=CCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(C)c(C)cc21 CS(=O)(=O)[*:1] C=CCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cc(C)c(C)cc21
CC(=O)c1ccc(NCc2ccc(Br)s2)cc1 CC(=O)[*:1] Brc1ccc(CNc2ccc(cc2)[*:1])s1
COc1cccc(CN2C(=O)C(=O)N(CC(=O)N(C)C3CC3)C2=O)c1 C1CC1[*:1] COc1cccc(c1)CN1C(=O)C(=O)N(CC(=O)N(C)[*:1])C1=O
COc1cccc(CN2C(=O)C(=O)N(CC(=O)N(C)C3CC3)C2=O)c1 CN(C(=O)[*:1])C1CC1 COc1cccc(c1)CN1C(=O)C(=O)N(C[*:1])C1=O
COc1cccc(CN2C(=O)C(=O)N(CC(=O)N(C)C3CC3)C2=O)c1 COc1cccc(c1)[*:1] CN(C(=O)CN1C(=O)C(=O)N(C[*:1])C1=O)C1CC1
COc1cccc(CN2C(=O)C(=O)N(CC(=O)N(C)C3CC3)C2=O)c1 CN(C(=O)C[*:1])C1CC1 COc1cccc(c1)CN1C(=O)C(=O)N(C1=O)[*:1]
CO/N=C/c1ccc(C(=O)N[C@@H](C)c2nc(C)cs2)cc1 CON=C[*:1] Cc1csc(n1)[C@H](C)NC(=O)c1ccc(cc1)[*:1]
CO/N=C/c1ccc(C(=O)N[C@@H](C)c2nc(C)cs2)cc1 Cc1csc(n1)[*:1] CO/N=C/c1ccc(cc1)C(=O)N[C@@H](C)[*:1]
O=C1[C@@H]2CS[C@@H](c3ccc(F)cc3)N2C(=O)N1c1ccccc1 Fc1ccc(cc1)[*:1] O=C1[C@@H]2CS[C@@H](N2C(=O)N1c1ccccc1)[*:1]
O=C1[C@@H]2CS[C@@H](c3ccc(F)cc3)N2C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H]2CS[C@@H](c3ccc(F)cc3)N2C(=O)N1[*:1]
N#Cc1ccc(CN2CCCN(C(=O)CCC(F)(F)F)CC2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)CN1CCCN(CC1)C(=O)CC[*:1]
N#Cc1ccc(CN2CCCN(C(=O)CCC(F)(F)F)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CCC(F)(F)F)N1CCCN(CC1)C[*:1]
N#Cc1ccc(CN2CCCN(C(=O)CCC(F)(F)F)CC2)cc1 FC(F)(F)C[*:1] N#Cc1ccc(cc1)CN1CCCN(CC1)C(=O)C[*:1]
N#Cc1ccc(CN2CCCN(C(=O)CCC(F)(F)F)CC2)cc1 FC(F)(F)CC[*:1] N#Cc1ccc(cc1)CN1CCCN(CC1)C(=O)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)CCCSc2ccccc2)C1 c1ccc(cc1)S[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)CCC[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)CCCSc2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)CCCS[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 CC(C)O[*:1] Cc1ocnc1CNC(=O)C(=O)Nc1ccc(c(C#N)c1)[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 Cc1ocnc1[*:1] CC(C)Oc1ccc(cc1C#N)NC(=O)C(=O)NC[*:1]
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 CC(C)[*:1] Cc1ocnc1CNC(=O)C(=O)Nc1ccc(O[*:1])c(C#N)c1
Cc1ocnc1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 Cc1ocnc1C[*:1] CC(C)Oc1ccc(cc1C#N)NC(=O)C(=O)N[*:1]
COc1ccc(C(=O)Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)c1cccc(c1)NC(=O)[*:1]
COc1cc(C[NH+]2CCC(c3noc(C)n3)CC2)cc(Cl)c1OC Cc1nc(no1)[*:1] COc1cc(cc(Cl)c1OC)C[NH+]1CCC(CC1)[*:1]
C[C@H](NC(=O)NCCCc1nc2ccccc2[nH]1)c1ccncc1 C[C@H](c1ccncc1)[*:1] O=C(NCCCc1nc2ccccc2[nH]1)N[*:1]
C[C@H](NC(=O)NCCCc1nc2ccccc2[nH]1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)NCCCc1nc2ccccc2[nH]1)[*:1]
C[C@@H](Oc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 CS(=O)(=O)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1
C[C@@H](Oc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 Fc1ccc(cc1F)[*:1] C[C@@H](Oc1ccc(cc1)S(C)(=O)=O)C(=O)Nc1nc(cs1)[*:1]
CCC(=O)NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CCC(=O)NCC(=O)N1N=C(C[C@@H]1[*:1])c1cccs1
CCC(=O)NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2 CCC(=O)N[*:1] O=C(C[*:1])N1N=C(C[C@H]1c1ccc2OCOc2c1)c1cccs1
CCC(=O)NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2 c1csc(c1)[*:1] CCC(=O)NCC(=O)N1N=C(C[C@H]1c1ccc2OCOc2c1)[*:1]
CCC(=O)NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2 CCC(=O)NC[*:1] O=C(N1N=C(C[C@H]1c1ccc2OCOc2c1)c1cccs1)[*:1]
Cc1ncccc1NC(=O)CCCNC(=O)OC(C)(C)C Cc1ncccc1[*:1] CC(C)(C)OC(=O)NCCCC(=O)N[*:1]
Cc1ncccc1NC(=O)CCCNC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ncccc1NC(=O)CCCNC(=O)O[*:1]
O=c1occ(C[NH+]2CCc3ccccc3C2)c([O-])c1CN1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=c1occ(C[NH+]2CCc3ccccc3C2)c([O-])c1CN1CCN(CC1)[*:1]
Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 Nc1nc(cs1)[*:1] c1ccc2c(c1)Cc1cc(ccc1-2)[*:1]
CNC(=O)NCC(=O)N1CCCC[C@H]1CCOC(C)C CC(C)[*:1] CNC(=O)NCC(=O)N1CCCC[C@H]1CCO[*:1]
CNC(=O)NCC(=O)N1CCCC[C@H]1CCOC(C)C CC(C)O[*:1] CNC(=O)NCC(=O)N1CCCC[C@H]1CC[*:1]
CNC(=O)NCC(=O)N1CCCC[C@H]1CCOC(C)C CNC(=O)N[*:1] CC(C)OCC[C@@H]1CCCCN1C(=O)C[*:1]
CNC(=O)NCC(=O)N1CCCC[C@H]1CCOC(C)C CC(C)OCC[*:1] CNC(=O)NCC(=O)N1CCCC[C@@H]1[*:1]
CNC(=O)NCC(=O)N1CCCC[C@H]1CCOC(C)C CNC(=O)NC[*:1] CC(C)OCC[C@@H]1CCCCN1C(=O)[*:1]
CNC(=O)NCC(=O)N1CCCC[C@H]1CCOC(C)C CC(C)OC[*:1] CNC(=O)NCC(=O)N1CCCC[C@H]1C[*:1]
Cc1cc(N2CCOCC2)nc2c(C)cccc12 C1CN(CCO1)[*:1] Cc1cc(nc2c(C)cccc12)[*:1]
O=C(NCc1csc(-c2ccco2)n1)NC[C@H]1CCCN(c2ncccn2)C1 c1coc(c1)[*:1] O=C(NCc1csc(n1)[*:1])NC[C@H]1CCCN(C1)c1ncccn1
O=C(NCc1csc(-c2ccco2)n1)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(NCc1csc(n1)-c1ccco1)NC[C@H]1CCCN(C1)[*:1]
COCCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O COCC[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CCC(=O)N[*:1]
COCCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O COC[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CCC(=O)NC[*:1]
COCCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O COCCNC(=O)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CC[*:1]
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)nc1 CC[C@@H](C)[*:1] COc1ccc(cn1)NC(=O)C(=O)N[*:1]
COC(=O)CN1C(=O)c2ccccc2O[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)CN1C(=O)c2ccccc2O[C@H]1[*:1]
COC(=O)CN1C(=O)c2ccccc2O[C@@H]1c1ccc(OC)cc1 COC(=O)C[*:1] COc1ccc(cc1)[C@H]1Oc2ccccc2C(=O)N1[*:1]
COC(=O)CN1C(=O)c2ccccc2O[C@@H]1c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@H]1Oc2ccccc2C(=O)N1C[*:1]
C[C@@H](O)CCC(=O)N(C[C@H]1CCOC1)C1CC1 C1CC1[*:1] C[C@@H](O)CCC(=O)N(C[C@H]1CCOC1)[*:1]
C[C@@H](O)CCC(=O)N(C[C@H]1CCOC1)C1CC1 C[C@@H](O)C[*:1] O=C(C[*:1])N(C[C@H]1CCOC1)C1CC1
C[C@@H](O)CCC(=O)N(C[C@H]1CCOC1)C1CC1 C[C@@H](O)[*:1] O=C(CC[*:1])N(C[C@H]1CCOC1)C1CC1
C[C@@H](O)CCC(=O)N(C[C@H]1CCOC1)C1CC1 C[C@@H](O)CC[*:1] O=C(N(C[C@H]1CCOC1)C1CC1)[*:1]
C[C@@H](O)CCC(=O)N(C[C@H]1CCOC1)C1CC1 C1C[C@@H](CO1)[*:1] C[C@@H](O)CCC(=O)N(C[*:1])C1CC1
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)c(OC)c1 COC(=O)[*:1] COc1cc(ccc1C)C(=O)Nc1cc(OC)c(cc1[*:1])OC
Cc1cc(S(=O)(=O)NCc2ccnn2C)sc1C Cn1nccc1[*:1] Cc1cc(sc1C)S(=O)(=O)NC[*:1]
Cc1ncn(C[C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C Cc1ncn(c1C)[*:1] C[C@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H](C)C[*:1])C1
C=CCN(CC=C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 C=CC[*:1] C=CCN(S(=O)(=O)c1cc2OCCOc2cc1[N+](=O)[O-])[*:1]
C=CCN(CC=C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 O=[N+]([O-])[*:1] C=CCN(CC=C)S(=O)(=O)c1cc2OCCOc2cc1[*:1]
NC(=O)CCNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 NC(=O)[*:1] O=C(NCC[*:1])NCc1ccc([nH+]c1)N1CCc2ccccc2C1
NC(=O)CCNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 NC(=O)C[*:1] O=C(NCc1ccc([nH+]c1)N1CCc2ccccc2C1)NC[*:1]
NC(=O)CCNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 NC(=O)CC[*:1] O=C(NCc1ccc([nH+]c1)N1CCc2ccccc2C1)N[*:1]
CCCc1nc2c(o1)CC(C)(C)CC2=O CCC[*:1] CC1(C)CC(=O)c2nc(oc2C1)[*:1]
CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] CC(C)NS(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] CC(C)NS(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1 CC(C)NS(=O)(=O)[*:1] O=C(NCc1ccco1)c1cccc(c1)[*:1]
CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1 CC(C)[*:1] O=C(NCc1ccco1)c1cccc(c1)S(=O)(=O)N[*:1]
NC(=O)c1ccc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)N[*:1])Nc1ccc(F)cc1
NC(=O)c1ccc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)C1CC[NH+](CC1)CC(=O)N[*:1]
NC(=O)c1ccc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)cc1 NC(=O)[*:1] O=C(C[NH+]1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1])Nc1ccc(F)cc1
Cc1ccc2c(c1)CCN2Cc1csc(CNC(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccc2c(c1)CCN2Cc1csc(CNC(=O)[*:1])n1
CCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 CCC[*:1] C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[*:1]
CCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 CCCC[NH2+][*:1] C[C@@H](C[C@H]1CCCCC[NH2+]1)[*:1]
CCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 CCCC[*:1] C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][*:1]
CC[C@@](C)(CNC(=O)c1cc2c(s1)CCC2)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)(CNC(=O)c1cc2CCCc2s1)[*:1]
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(-n2cccn2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-n1cccn1
CN(C(=O)CCS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CCS(=O)(=O)c1ccc(C#N)cc1Cl)[*:1]
Cc1ccc(C(=O)C2CCCC2)cc1C C1CCC(C1)[*:1] Cc1ccc(cc1C)C(=O)[*:1]
CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2cccs2)C1 c1csc(c1)[*:1] CCS(=O)(=O)[N-]c1ccccc1C1C[C@H](N(N=1)S(C)(=O)=O)[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)N[C@H]2CCC[C@@H](OCC(F)(F)F)C2)C1 FC(F)(F)C[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N[C@H]1CCC[C@H](C1)O[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)N[C@H]2CCC[C@@H](OCC(F)(F)F)C2)C1 FC(F)(F)CO[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
[NH3+][C@@H]1C=C[C@H](C(=O)N[C@H]2CCC[C@@H](OCC(F)(F)F)C2)C1 FC(F)(F)[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)N[C@H]1CCC[C@H](C1)OC[*:1]
CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)o1 CS(=O)(=O)[*:1] O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(C[*:1])o1
CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] CS(=O)(=O)Cc1ccc(o1)C(=O)N[C@@H]1C[C@H]1[*:1]
CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)o1 CS(=O)(=O)C[*:1] O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccc(o1)[*:1]
COCc1cccc(C(=O)NCC2(c3ccc(F)cc3F)CC2)c1 COC[*:1] O=C(NCC1(CC1)c1ccc(F)cc1F)c1cccc(c1)[*:1]
COCc1cccc(C(=O)NCC2(c3ccc(F)cc3F)CC2)c1 Fc1ccc(c(F)c1)[*:1] COCc1cccc(c1)C(=O)NCC1(CC1)[*:1]
C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCCC3)c2)[C@@H]1C O=C(N1CCCC1)[*:1] C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(c2)[*:1])[C@@H]1C
Cc1ccc2nc(NCCNC(=O)c3cnccn3)c(C#N)cc2c1 c1cnc(cn1)[*:1] Cc1ccc2nc(NCCNC(=O)[*:1])c(C#N)cc2c1
C[S@@](=O)c1cccc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)c1 C1CN(CCO1)C[*:1] C[S@@](=O)c1cccc(c1)NC(=O)N1CCC[C@H]1[*:1]
C[S@@](=O)c1cccc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)c1 C1CN(CCO1)[*:1] C[S@@](=O)c1cccc(c1)NC(=O)N1CCC[C@@H]1C[*:1]
C[S@@](=O)c1cccc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)c1 C[S@@](=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@@H]1CN1CCOCC1
Cc1cc(F)cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1cc(F)cc(c1)C(=O)N[C@@H]1C[C@H]1[*:1]
C[C@@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)N[C@H]1CCCC[C@H]1C Fc1cccc(Cl)c1[*:1] C[C@@H](OC(=O)C[*:1])C(=O)N[C@H]1CCCC[C@H]1C
C[C@@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)N[C@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@@H]1[*:1] C[C@@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)N[*:1]
COc1ccccc1CN(C)C(=O)CSc1ccc(Cl)nn1 Clc1ccc(nn1)[*:1] COc1ccccc1CN(C)C(=O)CS[*:1]
O=C(CCc1cccnc1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1cccnc1)NC(c1ccccc1)[*:1]
O=C(CCc1cccnc1)NC(c1ccccc1)c1ccccc1 c1cncc(c1)[*:1] O=C(CC[*:1])NC(c1ccccc1)c1ccccc1
O=C(CCc1cccnc1)NC(c1ccccc1)c1ccccc1 c1cncc(c1)CC[*:1] O=C(NC(c1ccccc1)c1ccccc1)[*:1]
O=C(CCc1cccnc1)NC(c1ccccc1)c1ccccc1 c1cncc(c1)C[*:1] O=C(C[*:1])NC(c1ccccc1)c1ccccc1
CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] CC[NH+](CC)[C@@H](C)CNC(=O)NC[*:1]
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(N2CCCC2=O)n1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H](N(C)C(=O)Cc1csc(n1)N1CCCC1=O)[*:1]
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(N2CCCC2=O)n1 O=C1CCCN1[*:1] C[C@H](c1cccc(c1)[N+](=O)[O-])N(C)C(=O)Cc1csc(n1)[*:1]
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(N2CCCC2=O)n1 O=[N+]([O-])[*:1] C[C@H](c1cccc(c1)[*:1])N(C)C(=O)Cc1csc(n1)N1CCCC1=O
CCNC(=O)c1c(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)sc2c1CCCC2 Clc1cccc(c1)[*:1] CCNC(=O)c1c(NC(=O)c2nn(ccc2=O)[*:1])sc2CCCCc21
CCNC(=O)c1c(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)sc2c1CCCC2 CCNC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])c1nn(ccc1=O)-c1cccc(Cl)c1
CC(C)[C@H](CO)NC(=O)c1ccc(NC(=O)C2CC2)s1 CC(C)[C@H](CO)[*:1] O=C(N[*:1])c1ccc(NC(=O)C2CC2)s1
CC(C)[C@H](CO)NC(=O)c1ccc(NC(=O)C2CC2)s1 C1CC1[*:1] CC(C)[C@H](CO)NC(=O)c1ccc(NC(=O)[*:1])s1
CC(C)[C@H](CO)NC(=O)c1ccc(NC(=O)C2CC2)s1 O=C(N[*:1])C1CC1 CC(C)[C@H](CO)NC(=O)c1ccc(s1)[*:1]
CC(C)[C@H](CO)NC(=O)c1ccc(NC(=O)C2CC2)s1 CC(C)[*:1] O=C(N[C@@H](CO)[*:1])c1ccc(NC(=O)C2CC2)s1
CCCCN(C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 CCC[*:1] CC[C@H](NC(=O)N(C)C[*:1])c1cccc(c1)[N+](=O)[O-]
CCCCN(C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCCCN(C)C(=O)N[C@@H](CC)c1cccc(c1)[*:1]
CCCCN(C)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 CCCC[*:1] CC[C@H](NC(=O)N(C)[*:1])c1cccc(c1)[N+](=O)[O-]
CCOc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] CCOc1ccccc1C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] CCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CCOc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 CCO[*:1] O=C(NCc1ccco1)c1ccc(cc1)NC(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 CCOc1ccccc1[*:1] O=C(NCc1ccco1)c1ccc(cc1)NC(=O)[*:1]
CCOc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] CCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCNS(=O)(=O)c1ccn(C)c1 Cn1ccc(c1)[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCNS(=O)(=O)[*:1]
C=CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NC1CCCCC1 C=CC[*:1] C[C@H]([C@@H](C)[NH2+]CC(=O)NC1CCCCC1)[*:1]
C=CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C=CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N[*:1]
CCCS[C@@H]1CC[C@@](NC2CC2)(C(=O)OC)C1 CCC[*:1] COC(=O)[C@@]1(CC[C@H](C1)S[*:1])NC1CC1
CCCS[C@@H]1CC[C@@](NC2CC2)(C(=O)OC)C1 C1CC1N[*:1] CCCS[C@@H]1CC[C@](C1)(C(=O)OC)[*:1]
CCCS[C@@H]1CC[C@@](NC2CC2)(C(=O)OC)C1 CCCS[*:1] COC(=O)[C@@]1(CC[C@H](C1)[*:1])NC1CC1
CCCS[C@@H]1CC[C@@](NC2CC2)(C(=O)OC)C1 C1CC1[*:1] CCCS[C@@H]1CC[C@@](C1)(N[*:1])C(=O)OC
CCCS[C@@H]1CC[C@@](NC2CC2)(C(=O)OC)C1 COC(=O)[*:1] CCCS[C@@H]1CC[C@](C1)(NC1CC1)[*:1]
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccnc1 CSCC[*:1] O=C(N[C@@H](C(=O)Nc1cccnc1)[*:1])c1ccc(Cl)cc1Cl
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccnc1 c1cncc(c1)[*:1] CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[*:1]
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccnc1 Clc1ccc(c(Cl)c1)[*:1] CSCC[C@@H](NC(=O)[*:1])C(=O)Nc1cccnc1
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccnc1 CSC[*:1] O=C(N[C@H](C[*:1])C(=O)Nc1cccnc1)c1ccc(Cl)cc1Cl
COc1ccc(-n2cnn(CN(C)[C@@H](C)c3nc4ccccc4s3)c2=S)cc1 c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1)-n1cnn(CN(C)[C@@H](C)[*:1])c1=S
COc1ccc(-n2cnn(CN(C)[C@@H](C)c3nc4ccccc4s3)c2=S)cc1 COc1ccc(cc1)[*:1] C[C@@H](c1nc2ccccc2s1)N(C)Cn1ncn(c1=S)[*:1]
Cc1cc(CCNC(=O)CNC(=O)c2ccccc2)on1 Cc1cc(C[*:1])on1 O=C(CNC(=O)c1ccccc1)NC[*:1]
Cc1cc(CCNC(=O)CNC(=O)c2ccccc2)on1 c1ccc(cc1)[*:1] Cc1cc(CCNC(=O)CNC(=O)[*:1])on1
Cc1cc(CCNC(=O)CNC(=O)c2ccccc2)on1 Cc1cc(on1)[*:1] O=C(CNC(=O)c1ccccc1)NCC[*:1]
CCN(C(=O)c1cccc(OCC(F)F)n1)[C@H]1CCCC[C@@H]1C FC(F)C[*:1] CCN(C(=O)c1cccc(n1)O[*:1])[C@H]1CCCC[C@@H]1C
CCN(C(=O)c1cccc(OCC(F)F)n1)[C@H]1CCCC[C@@H]1C FC(F)CO[*:1] CCN(C(=O)c1cccc(n1)[*:1])[C@H]1CCCC[C@@H]1C
CCN(C(=O)c1cccc(OCC(F)F)n1)[C@H]1CCCC[C@@H]1C FC(F)[*:1] CCN(C(=O)c1cccc(n1)OC[*:1])[C@H]1CCCC[C@@H]1C
O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1cccc(c1)[*:1]
CN(C(=O)c1ccc(F)cc1O)[C@@H]1CCCN(c2ccccc2)C1 Oc1cc(F)ccc1[*:1] CN(C(=O)[*:1])[C@@H]1CCCN(C1)c1ccccc1
CN(C(=O)c1ccc(F)cc1O)[C@@H]1CCCN(c2ccccc2)C1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(F)cc1O)[C@@H]1CCCN(C1)[*:1]
CCOc1ccc(Cl)c(C(=O)Nc2nc(CC)c(C)s2)n1 CCO[*:1] CCc1nc(NC(=O)c2nc(ccc2Cl)[*:1])sc1C
CC[C@H]1CCCC[C@@H]1OC(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)[*:1] CC[C@H]1CCCC[C@@H]1OC(=O)c1cn(C[*:1])nn1
CC[C@H]1CCCC[C@@H]1OC(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)C[*:1] CC[C@H]1CCCC[C@@H]1OC(=O)c1cn(nn1)[*:1]
Cc1cc(C)nc(NC(=O)[C@H](C)Oc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)NC(=O)[C@H](C)O[*:1]
Cn1cc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)ccc1=O Cn1cc(ccc1=O)[*:1] O=C(NC[C@@H](c1ccccc1)N1CCOCC1)[*:1]
Cn1cc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)ccc1=O c1ccc(cc1)[*:1] Cn1cc(ccc1=O)C(=O)NC[C@@H](N1CCOCC1)[*:1]
Cn1cc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)ccc1=O C1CN(CCO1)[*:1] Cn1cc(ccc1=O)C(=O)NC[C@@H](c1ccccc1)[*:1]
CCc1onc(C)c1NC(=O)N[C@H](c1ncc(C)s1)C1CC1 Cc1cnc(s1)[*:1] CCc1onc(C)c1NC(=O)N[C@H](C1CC1)[*:1]
CCc1onc(C)c1NC(=O)N[C@H](c1ncc(C)s1)C1CC1 C1CC1[*:1] CCc1onc(C)c1NC(=O)N[C@H](c1ncc(C)s1)[*:1]
CCOC(=O)CN(C(=O)[C@@H]1CCO[C@@H]1C)C1CCCC1 CCOC(=O)C[*:1] C[C@H]1OCC[C@H]1C(=O)N(C1CCCC1)[*:1]
CCOC(=O)CN(C(=O)[C@@H]1CCO[C@@H]1C)C1CCCC1 C1CCC(C1)[*:1] CCOC(=O)CN(C(=O)[C@@H]1CCO[C@@H]1C)[*:1]
CCOC(=O)CN(C(=O)[C@@H]1CCO[C@@H]1C)C1CCCC1 CCOC(=O)[*:1] C[C@H]1OCC[C@H]1C(=O)N(C[*:1])C1CCCC1
COc1ccccc1N(C)C(=O)c1cn(-c2ccc(Cl)cc2)nc1C Clc1ccc(cc1)[*:1] COc1ccccc1N(C)C(=O)c1cn(nc1C)[*:1]
COc1ccccc1N(C)C(=O)c1cn(-c2ccc(Cl)cc2)nc1C COc1ccccc1[*:1] Cc1nn(cc1C(=O)N(C)[*:1])-c1ccc(Cl)cc1
[NH3+]C[C@@H]1CC[C@@H](C[NH2+]C[C@@H]2CCOC2)O1 C1C[C@H](CO1)[*:1] [NH3+]C[C@@H]1CC[C@@H](C[NH2+]C[*:1])O1
O=C(NCC1(CN2CCOCC2)CCCCC1)N1C[C@@H]2CC=CC[C@H]2C1 C1CN(CCO1)[*:1] O=C(NCC1(CCCCC1)C[*:1])N1C[C@@H]2CC=CC[C@H]2C1
O=C(NCC1(CN2CCOCC2)CCCCC1)N1C[C@@H]2CC=CC[C@H]2C1 C1CN(CCO1)C[*:1] O=C(NCC1(CCCCC1)[*:1])N1C[C@@H]2CC=CC[C@H]2C1
CCN(C(=O)CSCc1ccccn1)[C@H](C)c1ccc(F)cc1 c1ccc(C[*:1])nc1 CCN(C(=O)CS[*:1])[C@H](C)c1ccc(F)cc1
CCN(C(=O)CSCc1ccccn1)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)CSCc1ccccn1)[C@H](C)[*:1]
CCN(C(=O)CSCc1ccccn1)[C@H](C)c1ccc(F)cc1 c1ccc(nc1)[*:1] CCN(C(=O)CSC[*:1])[C@H](C)c1ccc(F)cc1
CCN(Cc1cccc(NC2CCC(c3ccc(O)cc3)CC2)c1)C(C)=O CCN(C[*:1])C(C)=O Oc1ccc(cc1)C1CCC(CC1)Nc1cccc(c1)[*:1]
CCN(Cc1cccc(NC2CCC(c3ccc(O)cc3)CC2)c1)C(C)=O CCN(C(C)=O)[*:1] Oc1ccc(cc1)C1CCC(CC1)Nc1cccc(c1)C[*:1]
CCN(Cc1cccc(NC2CCC(c3ccc(O)cc3)CC2)c1)C(C)=O Oc1ccc(cc1)[*:1] CCN(Cc1cccc(c1)NC1CCC(CC1)[*:1])C(C)=O
C[C@@H]1CCC[C@]([C@H]([NH3+])Cc2ccsc2)(N(C)C)C1 c1cc(cs1)[*:1] C[C@@H]1CCC[C@](C1)([C@H]([NH3+])C[*:1])N(C)C
C[C@@H]1CCC[C@]([C@H]([NH3+])Cc2ccsc2)(N(C)C)C1 CN(C)[*:1] C[C@@H]1CCC[C@@](C1)([C@H]([NH3+])Cc1ccsc1)[*:1]
C[C@@H]1CCC[C@]([C@H]([NH3+])Cc2ccsc2)(N(C)C)C1 c1cc(cs1)C[*:1] C[C@@H]1CCC[C@](C1)([C@H]([NH3+])[*:1])N(C)C
COc1ccccc1[C@@H](CNC(=O)Cn1cccn1)[NH+]1CCCC1 COc1ccccc1[*:1] O=C(Cn1cccn1)NC[C@@H]([NH+]1CCCC1)[*:1]
COc1ccccc1[C@@H](CNC(=O)Cn1cccn1)[NH+]1CCCC1 c1cnn(c1)[*:1] COc1ccccc1[C@@H](CNC(=O)C[*:1])[NH+]1CCCC1
COc1ccccc1[C@@H](CNC(=O)Cn1cccn1)[NH+]1CCCC1 c1cnn(c1)C[*:1] COc1ccccc1[C@@H](CNC(=O)[*:1])[NH+]1CCCC1
O=C([O-])CCSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccncc1 O=C([O-])CC[*:1] O=c1c2cc(Cl)ccc2nc(S[*:1])n1Cc1ccncc1
O=C([O-])CCSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccncc1 c1cc(ccn1)C[*:1] O=C([O-])CCSc1nc2ccc(Cl)cc2c(=O)n1[*:1]
O=C([O-])CCSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccncc1 O=C([O-])C[*:1] O=c1c2cc(Cl)ccc2nc(SC[*:1])n1Cc1ccncc1
O=C([O-])CCSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccncc1 O=C([O-])[*:1] O=c1c2cc(Cl)ccc2nc(SCC[*:1])n1Cc1ccncc1
O=C([O-])CCSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccncc1 c1cc(ccn1)[*:1] O=C([O-])CCSc1nc2ccc(Cl)cc2c(=O)n1C[*:1]
O=C([O-])CCSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccncc1 O=C([O-])CCS[*:1] O=c1c2cc(Cl)ccc2nc(n1Cc1ccncc1)[*:1]
Nc1c(Cl)cc(Cl)cc1C(F)(F)F FC(F)(F)[*:1] Nc1c(Cl)cc(Cl)cc1[*:1]
O=C(c1ccc(Br)o1)N1CCC2(CCc3ccccc3O2)CC1 Brc1ccc(o1)[*:1] O=C(N1CCC2(CCc3ccccc3O2)CC1)[*:1]
COc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C)o1 c1cc2OCCOc2cc1[*:1] COc1ccccc1-c1nc(CN2CCN(CC2)S(=O)(=O)[*:1])c(C)o1
COc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C)o1 COc1ccccc1[*:1] Cc1oc(nc1CN1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
C=CCNC(=O)[C@H](C)Nc1ccc(C)cc1C C=CC[*:1] Cc1ccc(N[C@@H](C)C(=O)N[*:1])c(C)c1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1 Cc1ccc(o1)C(=O)[*:1] COCCCN1C(=O)C([O-])=C([C@@H]1c1ccccc1)[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1 Cc1ccc(o1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccc1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1 COCC[*:1] Cc1ccc(o1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1 COCCC[*:1] Cc1ccc(o1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1)[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1 COC[*:1] Cc1ccc(o1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccccc1
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@H]1[*:1]
Cn1cnc(S(=O)(=O)Oc2cccc(C(N)=O)c2)c1 Cn1cnc(c1)[*:1] NC(=O)c1cccc(c1)OS(=O)(=O)[*:1]
Cn1cnc(S(=O)(=O)Oc2cccc(C(N)=O)c2)c1 NC(=O)[*:1] Cn1cnc(c1)S(=O)(=O)Oc1cccc(c1)[*:1]
COC(=O)Nc1cccc(NC(=O)CCn2cncn2)c1 c1ncn(n1)[*:1] COC(=O)Nc1cccc(c1)NC(=O)CC[*:1]
COC(=O)Nc1cccc(NC(=O)CCn2cncn2)c1 c1ncn(CC[*:1])n1 COC(=O)Nc1cccc(c1)NC(=O)[*:1]
COC(=O)Nc1cccc(NC(=O)CCn2cncn2)c1 c1ncn(C[*:1])n1 COC(=O)Nc1cccc(c1)NC(=O)C[*:1]
COC(=O)Nc1cccc(NC(=O)CCn2cncn2)c1 COC(=O)N[*:1] O=C(CCn1cncn1)Nc1cccc(c1)[*:1]
O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)N[C@@H]1CCS(=O)(=O)C1 Brc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])N[C@@H]1CCS(=O)(=O)C1
Oc1ccc(N2CCN(c3cncc(OCc4ccccc4)n3)CC2)cc1 Oc1ccc(cc1)[*:1] c1ccc(cc1)COc1cncc(n1)N1CCN(CC1)[*:1]
Oc1ccc(N2CCN(c3cncc(OCc4ccccc4)n3)CC2)cc1 c1ccc(cc1)[*:1] Oc1ccc(cc1)N1CCN(CC1)c1cncc(n1)OC[*:1]
Oc1ccc(N2CCN(c3cncc(OCc4ccccc4)n3)CC2)cc1 c1ccc(cc1)C[*:1] Oc1ccc(cc1)N1CCN(CC1)c1cncc(n1)O[*:1]
Oc1ccc(N2CCN(c3cncc(OCc4ccccc4)n3)CC2)cc1 c1ccc(cc1)CO[*:1] Oc1ccc(cc1)N1CCN(CC1)c1cncc(n1)[*:1]
O=C(NC[C@H]1CCN(c2ccccc2)C1)Nc1nnc(C2CC2)s1 C1CC1c1nnc(s1)[*:1] O=C(NC[C@H]1CCN(C1)c1ccccc1)N[*:1]
O=C(NC[C@H]1CCN(c2ccccc2)C1)Nc1nnc(C2CC2)s1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCN(C1)[*:1])Nc1nnc(s1)C1CC1
O=C(NC[C@H]1CCN(c2ccccc2)C1)Nc1nnc(C2CC2)s1 C1CC1[*:1] O=C(NC[C@H]1CCN(C1)c1ccccc1)Nc1nnc(s1)[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N1CCC(Nc2ccccc2F)CC1 COc1ccc(F)cc1[*:1] O=C(N[*:1])C(=O)N1CCC(CC1)Nc1ccccc1F
COc1ccc(F)cc1NC(=O)C(=O)N1CCC(Nc2ccccc2F)CC1 Fc1ccccc1[*:1] COc1ccc(F)cc1NC(=O)C(=O)N1CCC(CC1)N[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N1CCC(Nc2ccccc2F)CC1 Fc1ccccc1N[*:1] COc1ccc(F)cc1NC(=O)C(=O)N1CCC(CC1)[*:1]
C[NH2+]Cc1ccc(O[C@H](C)[C@@H](C)O)c(OC)c1 C[C@@H](O)[C@@H](C)[*:1] C[NH2+]Cc1ccc(O[*:1])c(c1)OC
C[NH2+]Cc1ccc(O[C@H](C)[C@@H](C)O)c(OC)c1 C[C@@H](O)[*:1] C[NH2+]Cc1ccc(O[C@H](C)[*:1])c(c1)OC
CCC(CC)C(=O)NCCc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCC(CC)C(=O)NCCc1coc(n1)[*:1]
CCC(CC)C(=O)NCCc1coc(-c2ccccc2)n1 CCC(CC)[*:1] O=C(NCCc1coc(n1)-c1ccccc1)[*:1]
CCC(CC)[C@H](C#N)S(=O)(=O)c1ccc(F)cc1F CCC(CC)[*:1] N#C[C@H](S(=O)(=O)c1ccc(F)cc1F)[*:1]
COCCOc1cc(C)ccc1NC(=O)N1CC[C@H](C)[C@@H](O)C1 COCCO[*:1] Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)c(c1)[*:1]
COCCOc1cc(C)ccc1NC(=O)N1CC[C@H](C)[C@@H](O)C1 COCC[*:1] Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)c(c1)O[*:1]
COCCOc1cc(C)ccc1NC(=O)N1CC[C@H](C)[C@@H](O)C1 COC[*:1] Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)c(c1)OC[*:1]
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOC(=O)c1cc(sc1NC(=O)c1ccccc1[*:1])-c1ccccc1
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] CCOC(=O)c1cc(sc1NC(=O)c1ccccc1[N+](=O)[O-])[*:1]
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] CCOC(=O)c1cc(sc1NC(=O)[*:1])-c1ccccc1
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1[N+](=O)[O-] CCOC(=O)[*:1] O=C(Nc1sc(cc1[*:1])-c1ccccc1)c1ccccc1[N+](=O)[O-]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2cccc(N(C)C)c2)s1 Cc1ccc(s1)[*:1] CN(C)c1cccc(c1)CNC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2cccc(N(C)C)c2)s1 CN(C)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2cccc(N(C)C)c2)s1 CN(C)c1cccc(c1)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2[C@H]2CC=CCC2)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1[C@H]1CC=CCC1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2[C@H]2CC=CCC2)cc1 Cc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H]([C@H]2CC=CCC2)N1C[C@@H]1CCCO1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2[C@H]2CC=CCC2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@H]([C@H]2CC=CCC2)N1C[C@@H]1CCCO1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2[C@H]2CC=CCC2)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1[C@H]1CC=CCC1
Cc1c(C#N)c(NC(=O)COC(=O)c2cnn(C)c2)n(Cc2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] Cc1c(C#N)c(NC(=O)COC(=O)c2cnn(C)c2)n(C[*:1])c1C
Cc1c(C#N)c(NC(=O)COC(=O)c2cnn(C)c2)n(Cc2ccc(F)cc2)c1C Cn1cc(cn1)C(=O)OC[*:1] Cc1c(C#N)c(NC(=O)[*:1])n(Cc2ccc(F)cc2)c1C
Cc1c(C#N)c(NC(=O)COC(=O)c2cnn(C)c2)n(Cc2ccc(F)cc2)c1C Fc1ccc(cc1)C[*:1] Cc1c(C#N)c(NC(=O)COC(=O)c2cnn(C)c2)n(c1C)[*:1]
Cc1c(C#N)c(NC(=O)COC(=O)c2cnn(C)c2)n(Cc2ccc(F)cc2)c1C Cn1cc(cn1)[*:1] Cc1c(C#N)c(NC(=O)COC(=O)[*:1])n(Cc2ccc(F)cc2)c1C
Cc1c(C#N)c(NC(=O)COC(=O)c2cnn(C)c2)n(Cc2ccc(F)cc2)c1C Cn1cc(cn1)C(=O)O[*:1] Cc1c(C#N)c(NC(=O)C[*:1])n(Cc2ccc(F)cc2)c1C
CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CC(=O)N(C(C)C)C4)C3)cc2n1 FC(F)(F)[*:1] CCc1cc(n2nc(cc2n1)[C@H]1CCN(C1)C(=O)[C@@H]1CC(=O)N(C1)C(C)C)[*:1]
CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CC(=O)N(C(C)C)C4)C3)cc2n1 CC(C)[*:1] CCc1cc(n2nc(cc2n1)[C@H]1CCN(C1)C(=O)[C@@H]1CC(=O)N(C1)[*:1])C(F)(F)F
CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CC(=O)N(C(C)C)C4)C3)cc2n1 CC(C)N1C[C@@H](CC1=O)[*:1] CCc1cc(n2nc(cc2n1)[C@H]1CCN(C1)C(=O)[*:1])C(F)(F)F
C=CCn1c(SCc2nnc3n(C)c(=O)c4ccccc4n23)nnc1[C@H]1CCS(=O)(=O)C1 C=CC[*:1] Cn1c(=O)c2ccccc2n2c(CSc3nnc([C@H]4CCS(=O)(=O)C4)n3[*:1])nnc12
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccccc1[*:1]
CC(=O)NCCCN(C)c1cc[nH+]c2ccsc12 CC(=O)NC[*:1] CN(CC[*:1])c1cc[nH+]c2ccsc12
CC(=O)NCCCN(C)c1cc[nH+]c2ccsc12 CC(=O)NCC[*:1] CN(C[*:1])c1cc[nH+]c2ccsc12
CC(=O)NCCCN(C)c1cc[nH+]c2ccsc12 CC(=O)N[*:1] CN(CCC[*:1])c1cc[nH+]c2ccsc12
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](C)CC2)c[nH+]1 CCN(CC)[*:1] C[C@H]1CCCN(CC1)C(=O)NCc1ccc([nH+]c1)[*:1]
Cc1cc(F)c(-c2csc(-c3ccccc3N)n2)cc1F Nc1ccccc1[*:1] Cc1cc(F)c(cc1F)-c1csc(n1)[*:1]
CCOC(=O)c1nc2ccccc2nc1Nc1ccccc1OCC CCO[*:1] CCOC(=O)c1nc2ccccc2nc1Nc1ccccc1[*:1]
CCOC(=O)c1nc2ccccc2nc1Nc1ccccc1OCC CCOC(=O)[*:1] CCOc1ccccc1Nc1nc2ccccc2nc1[*:1]
O=C(NCc1ccc(Br)cc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(NCc1ccc(Br)cc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
O=C(NCc1ccc(Br)cc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] Brc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]
C[C@@H](NC(=O)c1cccc(C(=O)OC(C)(C)C)c1)[C@@H]1CCCO1 CC(C)(C)[*:1] C[C@@H](NC(=O)c1cccc(c1)C(=O)O[*:1])[C@@H]1CCCO1
C[C@@H](NC(=O)c1cccc(C(=O)OC(C)(C)C)c1)[C@@H]1CCCO1 CC(C)(C)OC(=O)[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])[C@@H]1CCCO1
C[C@@H](NC(=O)c1cccc(C(=O)OC(C)(C)C)c1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)c1cccc(c1)C(=O)OC(C)(C)C)[*:1]
Cn1cnn(-c2ccc(NC(=O)NCC[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)c1=O Cn1cnn(c1=O)[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(cc1)[*:1]
CC[C@H]1CCCCN1C(=O)c1cccc(N2CCNC2=O)c1 O=C1NCCN1[*:1] CC[C@H]1CCCCN1C(=O)c1cccc(c1)[*:1]
COCc1cc(C(=O)N[C@H](c2ccccc2)C(C)C)no1 CC(C)[*:1] COCc1cc(no1)C(=O)N[C@H](c1ccccc1)[*:1]
COCc1cc(C(=O)N[C@H](c2ccccc2)C(C)C)no1 c1ccc(cc1)[*:1] COCc1cc(no1)C(=O)N[C@H](C(C)C)[*:1]
COCc1cc(C(=O)N[C@H](c2ccccc2)C(C)C)no1 COC[*:1] CC(C)[C@H](NC(=O)c1cc(on1)[*:1])c1ccccc1
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)N[*:1]
CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C CC[C@@H](C)NC(=O)C[*:1] CC(C)Cn1c(nc2ccccc2c1=O)S[*:1]
CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C CC(C)C[*:1] CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C CC(C)[*:1] CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1C[*:1]
CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C CC[C@@H](C)NC(=O)[*:1] CC(C)Cn1c(nc2ccccc2c1=O)SC[*:1]
CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C CC[C@@H](C)[*:1] CC(C)Cn1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
CNc1ncc2c(n1)CN(CC1(N3CCOCC3)CCCCC1)C2=O C1CN(CCO1)[*:1] CNc1ncc2C(=O)N(Cc2n1)CC1(CCCCC1)[*:1]
Cc1cscc1C[NH2+]Cc1cc2c(cc1Br)OCO2 Cc1cscc1[*:1] Brc1cc2OCOc2cc1C[NH2+]C[*:1]
CC(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)C[NH2+]Cc1ccc2OCCOc2c1)[*:1]
CC(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 CC(C)C(=O)N[*:1] c1cc(ccc1C[NH2+]Cc1ccc2OCCOc2c1)[*:1]
CCOC(=O)[C@H](C)N(C)Cc1c(C)nn(C)c1OC CCOC(=O)[*:1] COc1c(CN(C)[C@@H](C)[*:1])c(C)nn1C
Cc1ccc(CNC(=O)c2[nH]c3ccccc3c2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1[nH]c2ccccc2c1Cl
Oc1ccc(Br)c(CN2CC[NH+](Cc3ccon3)CC2)c1 c1cc(no1)[*:1] Oc1ccc(Br)c(c1)CN1CC[NH+](CC1)C[*:1]
Oc1ccc(Br)c(CN2CC[NH+](Cc3ccon3)CC2)c1 c1cc(C[*:1])no1 Oc1ccc(Br)c(c1)CN1CC[NH+](CC1)[*:1]
C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C[NH+](C)Cc1ccccc1CNC(=O)[*:1]
CC(C)c1ccc(NC(=O)Cn2ccnc2-c2cnccn2)cc1 c1cnc(cn1)[*:1] CC(C)c1ccc(cc1)NC(=O)Cn1ccnc1[*:1]
CC(C)c1ccc(NC(=O)Cn2ccnc2-c2cnccn2)cc1 CC(C)[*:1] O=C(Cn1ccnc1-c1cnccn1)Nc1ccc(cc1)[*:1]
O=C([O-])c1ccc(Cl)cc1-c1ccc(O)c(F)c1 O=C([O-])[*:1] Oc1ccc(cc1F)-c1cc(Cl)ccc1[*:1]
Cc1ccc2nc(C)c(C)c(C(=O)N(C)C3CCSCC3)c2c1 C1CC(CCS1)[*:1] Cc1ccc2nc(C)c(C)c(C(=O)N(C)[*:1])c2c1
Cc1ncc(-c2ccncc2)c(C2CCC(CNC(=O)COc3ccccc3F)CC2)n1 c1cc(ccn1)[*:1] Cc1ncc(c(n1)C1CCC(CC1)CNC(=O)COc1ccccc1F)[*:1]
Cc1ncc(-c2ccncc2)c(C2CCC(CNC(=O)COc3ccccc3F)CC2)n1 Fc1ccccc1[*:1] Cc1ncc(-c2ccncc2)c(n1)C1CCC(CC1)CNC(=O)CO[*:1]
Cc1ncc(-c2ccncc2)c(C2CCC(CNC(=O)COc3ccccc3F)CC2)n1 Fc1ccccc1O[*:1] Cc1ncc(-c2ccncc2)c(n1)C1CCC(CC1)CNC(=O)C[*:1]
Cc1ncc(-c2ccncc2)c(C2CCC(CNC(=O)COc3ccccc3F)CC2)n1 Fc1ccccc1OC[*:1] Cc1ncc(-c2ccncc2)c(n1)C1CCC(CC1)CNC(=O)[*:1]
O=C(CCOc1ccc(Cl)cc1Br)NC1CC1 C1CC1[*:1] O=C(CCOc1ccc(Cl)cc1Br)N[*:1]
C[C@@H](N)c1[nH+]ccn1C1CC1 C1CC1[*:1] C[C@@H](N)c1[nH+]ccn1[*:1]
C[C@@H](N)c1[nH+]ccn1C1CC1 C[C@@H](N)[*:1] c1cn(c([nH+]1)[*:1])C1CC1
C[C@@H](CNC(=O)Nc1ccccc1C(=O)N1CCCCC1)C[NH+]1CCCC1 O=C(N1CCCCC1)[*:1] C[C@@H](CNC(=O)Nc1ccccc1[*:1])C[NH+]1CCCC1
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1cccc(O)c1 Clc1ccccc1C[*:1] CCOC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1cccc(O)c1)S[*:1]
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1cccc(O)c1 Clc1ccccc1[*:1] CCOC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1cccc(O)c1)SC[*:1]
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1cccc(O)c1 CCOC(=O)[*:1] CC1Nc2nc(nn2[C@@H](C=1[*:1])c1cccc(O)c1)SCc1ccccc1Cl
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1cccc(O)c1 Oc1cccc(c1)[*:1] CCOC(=O)C1=C(C)Nc2nc(nn2[C@H]1[*:1])SCc1ccccc1Cl
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1cccc(O)c1 Clc1ccccc1CS[*:1] CCOC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1cccc(O)c1)[*:1]
C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccon2)CC1 Clc1cccc(c1)[*:1] C[C@@H](N1CC[NH+](CC1)Cc1ccon1)[*:1]
C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccon2)CC1 c1cc(no1)[*:1] C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CC1)C[*:1]
C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccon2)CC1 c1cc(C[*:1])no1 C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CC1)[*:1]
CC(C)C[C@H]1COCCN1C(=O)c1ccc(-n2ccnn2)cc1 CC(C)C[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CCOC[C@@H]1[*:1]
CC(C)C[C@H]1COCCN1C(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CC(C)C[C@H]1COCCN1C(=O)c1ccc(cc1)[*:1]
CC(C)C[C@H]1COCCN1C(=O)c1ccc(-n2ccnn2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CCOC[C@@H]1C[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccn3)[nH]n2)o1 Cc1ccc(o1)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCC[C@H]1c1ccccn1
Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccn3)[nH]n2)o1 c1ccc(nc1)[*:1] Cc1ccc(o1)-c1cc([nH]n1)C(=O)N1CCC[C@@H]1[*:1]
CC[NH+]1CCN(c2cc(CNC(=O)Nc3cccc(C)c3)cc[nH+]2)CC1 Cc1cccc(c1)[*:1] CC[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)N[*:1]
Cc1nonc1OCCNC(=O)c1cn(Cc2ccccc2Cl)nn1 Cc1nonc1OC[*:1] O=C(NC[*:1])c1cn(Cc2ccccc2Cl)nn1
Cc1nonc1OCCNC(=O)c1cn(Cc2ccccc2Cl)nn1 Clc1ccccc1[*:1] Cc1nonc1OCCNC(=O)c1cn(C[*:1])nn1
Cc1nonc1OCCNC(=O)c1cn(Cc2ccccc2Cl)nn1 Clc1ccccc1C[*:1] Cc1nonc1OCCNC(=O)c1cn(nn1)[*:1]
Cc1nonc1OCCNC(=O)c1cn(Cc2ccccc2Cl)nn1 Cc1nonc1[*:1] O=C(NCCO[*:1])c1cn(Cc2ccccc2Cl)nn1
Cc1nonc1OCCNC(=O)c1cn(Cc2ccccc2Cl)nn1 Cc1nonc1O[*:1] O=C(NCC[*:1])c1cn(Cc2ccccc2Cl)nn1
Cc1ccc(F)cc1NC(=O)[C@H](C)S(=O)(=O)CC(F)(F)F FC(F)(F)[*:1] Cc1ccc(F)cc1NC(=O)[C@H](C)S(=O)(=O)C[*:1]
Cc1ccc(F)cc1NC(=O)[C@H](C)S(=O)(=O)CC(F)(F)F FC(F)(F)C[*:1] Cc1ccc(F)cc1NC(=O)[C@H](C)S(=O)(=O)[*:1]
COC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)[nH]1 CC(C)(C)[*:1] COC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[*:1])[nH]1
COC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)[nH]1 COC(=O)[*:1] CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([nH]1)[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)C1 CCO[*:1] CO[C@]1(C)C[C@@H](NC(=O)N2CCC[C@@H](C2)C[*:1])C1(C)C
CCOC[C@H]1CCCN(C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)C1 CCOC[*:1] CO[C@]1(C)C[C@@H](NC(=O)N2CCC[C@@H](C2)[*:1])C1(C)C
O=C(NC[C@@H](NC(=O)Nc1cccnc1)C1CC1)Nc1cccnc1 C1CC1[*:1] O=C(NC[C@@H](NC(=O)Nc1cccnc1)[*:1])Nc1cccnc1
O=C(NC[C@@H](NC(=O)Nc1cccnc1)C1CC1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(Nc1cccnc1)N[C@H](CNC(=O)N[*:1])C1CC1
O=C(NC[C@@H](NC(=O)Nc1cccnc1)C1CC1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(NC[C@@H](NC(=O)N[*:1])C1CC1)Nc1cccnc1
COc1cc(Cl)ccc1C(=O)NC1(c2nc(C)no2)CCCCC1 Cc1noc(n1)[*:1] COc1cc(Cl)ccc1C(=O)NC1(CCCCC1)[*:1]
CSc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 CSc1ccc(cc1)[*:1] O=C(N[*:1])C(=O)N1CC[C@@H](C1)[NH+]1CCCCC1
CC(C)NC(=O)C1CCN(C(=O)c2c[nH]c3nccc(Cl)c23)CC1 CC(C)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1c[nH]c2nccc(Cl)c12
CC(C)NC(=O)C1CCN(C(=O)c2c[nH]c3nccc(Cl)c23)CC1 CC(C)NC(=O)[*:1] O=C(c1c[nH]c2nccc(Cl)c12)N1CCC(CC1)[*:1]
NNc1ncc(COc2ccc([N+](=O)[O-])cc2Cl)s1 O=[N+]([O-])[*:1] NNc1ncc(COc2ccc(cc2Cl)[*:1])s1
O=C([O-])CN(c1ccccc1)[C@@H]1CCO[C@]2(CCSC2)C1 O=C([O-])[*:1] c1ccc(cc1)N(C[*:1])[C@@H]1CCO[C@]2(CCSC2)C1
O=C([O-])CN(c1ccccc1)[C@@H]1CCO[C@]2(CCSC2)C1 c1ccc(cc1)[*:1] O=C([O-])CN([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
O=C([O-])CN(c1ccccc1)[C@@H]1CCO[C@]2(CCSC2)C1 O=C([O-])C[*:1] c1ccc(cc1)N([C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
O=C(Nc1cccc(-n2cnnn2)c1)c1cc(Cl)c2c(c1)OCCO2 c1nnnn1[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(Cl)c2OCCOc2c1
COc1c([C@H](O)CC2CCCC2)c(C)nn1C C1CCC(C1)[*:1] COc1c(c(C)nn1C)[C@H](O)C[*:1]
C=CCCCN(C)C(=O)Nc1ccc([N-]S(C)(=O)=O)cc1 C=CCCC[*:1] CN(C(=O)Nc1ccc(cc1)[N-]S(C)(=O)=O)[*:1]
C=CCCCN(C)C(=O)Nc1ccc([N-]S(C)(=O)=O)cc1 C=CC[*:1] CN(CC[*:1])C(=O)Nc1ccc(cc1)[N-]S(C)(=O)=O
C=CCCCN(C)C(=O)Nc1ccc([N-]S(C)(=O)=O)cc1 C=CCC[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)[N-]S(C)(=O)=O
Cc1nc(C2CCCC2)sc1C(=O)N[C@@H]1CC=CCC1 C1CCC(C1)[*:1] Cc1nc(sc1C(=O)N[C@@H]1CC=CCC1)[*:1]
COc1ccc(NC(=O)c2ccccc2)c2ccccc12 c1ccc(cc1)[*:1] COc1ccc(NC(=O)[*:1])c2ccccc12
CC(C)NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 CC(C)NC(=O)N[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1F
CC(C)NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)NS(=O)(=O)c1ccc(Cl)cc1F)N[*:1]
CC(C)NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 Fc1cc(Cl)ccc1[*:1] CC(C)NC(=O)Nc1ccc(cc1)NS(=O)(=O)[*:1]
CCc1ccc(C(C)(C)NC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)[C@@H](C)O[*:1]
CCc1ccc(C(C)(C)NC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)[C@@H](C)OC[*:1]
CCc1ccc(C(C)(C)NC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)CO[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)[C@@H](C)[*:1]
N#C[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] N#C[C@H](c1ccccc1)N(Cc1ccccc1)[*:1]
N#C[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] N#C[C@H](N(Cc1ccccc1)Cc1ccccc1)[*:1]
N#C[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] N#C[C@H](c1ccccc1)N(Cc1ccccc1)C[*:1]
CC(C)[NH+]1CCC(N(C)C(=O)CCc2nc(-c3cccnc3)no2)CC1 CC(C)[*:1] CN(C(=O)CCc1nc(no1)-c1cccnc1)C1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCC(N(C)C(=O)CCc2nc(-c3cccnc3)no2)CC1 c1cncc(c1)[*:1] CC(C)[NH+]1CCC(CC1)N(C)C(=O)CCc1nc(no1)[*:1]
COc1ccccc1-c1noc(COC(=O)c2cccnc2Cl)n1 Clc1ncccc1[*:1] COc1ccccc1-c1noc(COC(=O)[*:1])n1
COc1ccccc1-c1noc(COC(=O)c2cccnc2Cl)n1 COc1ccccc1[*:1] O=C(OCc1nc(no1)[*:1])c1cccnc1Cl
CC1(C)CN(C(=O)Nc2nnc(Cc3ccccc3F)s2)CCS1 Fc1ccccc1[*:1] CC1(C)CN(CCS1)C(=O)Nc1nnc(C[*:1])s1
CC1(C)CN(C(=O)Nc2nnc(Cc3ccccc3F)s2)CCS1 Fc1ccccc1C[*:1] CC1(C)CN(CCS1)C(=O)Nc1nnc(s1)[*:1]
COc1ccc(Cl)cc1C(N)=O NC(=O)[*:1] COc1ccc(Cl)cc1[*:1]
CCc1ccccc1NC(=O)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)cc2)CC1 CCc1ccccc1[*:1] C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CC[NH+](CC1)CC(=O)N[*:1]
CCc1ccccc1NC(=O)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)cc2)CC1 N#Cc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)C[NH+]1CCN(CC1)[C@@H](C)C(=O)N[*:1]
C#CCN1C(=O)N=C(N)[C@H]1c1ccc(F)cc1 C#CC[*:1] NC1=NC(=O)N([C@@H]1c1ccc(F)cc1)[*:1]
CC[C@H](CC[NH3+])CCc1nc2ccc(C)cc2s1 [NH3+]CC[*:1] CC[C@H](CCc1nc2ccc(C)cc2s1)[*:1]
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc(c1)[*:1]
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 O=C([O-])[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)[N-]c1ccccc1[*:1]
COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)c(=O)oc12 Clc1ccc(cc1)[*:1] COc1cccc2cc(C(=O)N[*:1])c(=O)oc12
Cc1cccc([C@H](C)C(=O)N[C@H](CO)c2cc(F)c(F)c(F)c2)c1 Cc1cccc(c1)[*:1] C[C@H](C(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1)[*:1]
CCCc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(OC)cc2)s1 CCCc1nnc(s1)[*:1] COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
CCCc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(OC)cc2)s1 CCC[*:1] COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nnc(s1)[*:1]
CCCc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(OC)cc2)s1 COc1ccc(cc1)[*:1] CCCc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)[*:1])s1
COc1ccc(Br)cc1S(=O)(=O)N(C)CC(=O)Nc1c(C)cccc1C Cc1cccc(C)c1[*:1] COc1ccc(Br)cc1S(=O)(=O)N(C)CC(=O)N[*:1]
Cc1ccc(C(CO)(CO)Cc2c(Cl)cccc2Cl)cc1 Cc1ccc(cc1)[*:1] OCC(CO)(Cc1c(Cl)cccc1Cl)[*:1]
CCOc1ccc(OC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1 c1cc(co1)[*:1] CCOc1ccc(cc1)OC(=O)[C@@H](C)NC(=O)[*:1]
CCOc1ccc(OC(=O)[C@@H](C)NC(=O)c2ccoc2)cc1 CCO[*:1] C[C@@H](NC(=O)c1ccoc1)C(=O)Oc1ccc(cc1)[*:1]
Cc1cccc(NC(=O)CCNC(=O)c2ccc3c(c2)OCO3)n1 Cc1cccc(n1)[*:1] O=C(CCNC(=O)c1ccc2OCOc2c1)N[*:1]
NC(=O)CNC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 NC(=O)[*:1] O=C(NC[*:1])[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1
NC(=O)CNC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)CNC(=O)[C@H](Sc1cc(Cl)ccc1Cl)[*:1]
NC(=O)CNC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 NC(=O)CNC(=O)[*:1] Clc1ccc(Cl)c(c1)S[C@H](c1ccccc1)[*:1]
NC(=O)CNC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 NC(=O)C[*:1] O=C(N[*:1])[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1
C[C@H](O)C1CCN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC1 CC(C)(C)[*:1] C[C@H](O)C1CCN(CC1)C(=O)C(=O)Nc1cnc(nc1)[*:1]
C[C@H](O)C1CCN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC1 C[C@H](O)[*:1] CC(C)(C)c1ncc(cn1)NC(=O)C(=O)N1CCC(CC1)[*:1]
COC(=O)[C@H](C)N(Cc1nnc(-c2ccc(F)cc2)o1)C1CC1 COC(=O)[*:1] C[C@H](N(Cc1nnc(o1)-c1ccc(F)cc1)C1CC1)[*:1]
COC(=O)[C@H](C)N(Cc1nnc(-c2ccc(F)cc2)o1)C1CC1 C1CC1[*:1] COC(=O)[C@H](C)N(Cc1nnc(o1)-c1ccc(F)cc1)[*:1]
COC(=O)[C@H](C)N(Cc1nnc(-c2ccc(F)cc2)o1)C1CC1 Fc1ccc(cc1)[*:1] COC(=O)[C@H](C)N(Cc1nnc(o1)[*:1])C1CC1
CC(C)c1ocnc1C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 CC(C)[*:1] C[C@@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)c1ncoc1[*:1]
CC(C)c1ocnc1C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CC(C)c1ocnc1C(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
CCOC(=O)CCN(C)[C@@H](C)c1cc(F)ccc1F CCOC(=O)C[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C[*:1]
CCOC(=O)CCN(C)[C@@H](C)c1cc(F)ccc1F CCOC(=O)[*:1] C[C@@H](c1cc(F)ccc1F)N(C)CC[*:1]
CNC(=O)Cc1ccc(NC2CCC(C(=O)OC(C)(C)C)CC2)cc1 CC(C)(C)[*:1] CNC(=O)Cc1ccc(cc1)NC1CCC(CC1)C(=O)O[*:1]
CNC(=O)Cc1ccc(NC2CCC(C(=O)OC(C)(C)C)CC2)cc1 CNC(=O)C[*:1] CC(C)(C)OC(=O)C1CCC(CC1)Nc1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC2CCC(C(=O)OC(C)(C)C)CC2)cc1 CC(C)(C)OC(=O)[*:1] CNC(=O)Cc1ccc(cc1)NC1CCC(CC1)[*:1]
CNC(=O)Cc1ccc(NC2CCC(C(=O)OC(C)(C)C)CC2)cc1 CNC(=O)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)Nc1ccc(cc1)C[*:1]
CCN(Cc1ccccn1)S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 CC(=O)N[*:1] CCN(Cc1ccccn1)S(=O)(=O)c1ccc(F)c(c1)[*:1]
CCN(Cc1ccccn1)S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 c1ccc(C[*:1])nc1 CCN(S(=O)(=O)c1ccc(F)c(c1)NC(C)=O)[*:1]
CCN(Cc1ccccn1)S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 c1ccc(nc1)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(F)c(c1)NC(C)=O
CN(C)N1C(N)=C(C#N)[C@H](c2c(F)cccc2Cl)C2=C1CCCC2=O Fc1cccc(Cl)c1[*:1] CN(C)N1C(N)=C(C#N)[C@H](C2C(=O)CCCC=21)[*:1]
Cc1nc(Br)ccc1NC(=O)c1cccc(NC(C)C)c1 CC(C)N[*:1] Cc1nc(Br)ccc1NC(=O)c1cccc(c1)[*:1]
Cc1nc(Br)ccc1NC(=O)c1cccc(NC(C)C)c1 CC(C)[*:1] Cc1nc(Br)ccc1NC(=O)c1cccc(c1)N[*:1]
C[C@@H]1CN([C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 O=[N+]([O-])[*:1] C[C@@H]1CN(CCO1)[C@@H](CNC(=O)c1ccc(c(c1)[*:1])-n1ccnc1)c1c(F)cccc1Cl
C[C@@H]1CN([C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 c1cn(cn1)[*:1] C[C@@H]1CN(CCO1)[C@@H](CNC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1])c1c(F)cccc1Cl
C[C@@H]1CN([C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2c(F)cccc2Cl)CCO1 Fc1cccc(Cl)c1[*:1] C[C@@H]1CN(CCO1)[C@@H](CNC(=O)c1ccc(c(c1)[N+](=O)[O-])-n1ccnc1)[*:1]
C[C@@H](CCc1ccccc1F)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O Fc1ccccc1C[*:1] C[C@@H](C[*:1])C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O
C[C@@H](CCc1ccccc1F)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] C[C@@H](CCc1ccccc1F)C(=O)N[C@@H]1CCN(C1=O)[*:1]
C[C@@H](CCc1ccccc1F)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O Fc1ccccc1[*:1] C[C@@H](CC[*:1])C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O
C[C@@H](CCc1ccccc1F)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] C[C@@H](CCc1ccccc1F)C(=O)N[C@@H]1CCN(C[*:1])C1=O
CS(=O)(=O)Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1N1CC[NH2+]CC1 CS(=O)(=O)N[*:1] O=C(c1ccc(c(c1)[*:1])N1CC[NH2+]CC1)N1CCN(CC1)c1ccccc1
CS(=O)(=O)Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1N1CC[NH2+]CC1 c1ccc(cc1)[*:1] CS(=O)(=O)Nc1cc(ccc1N1CC[NH2+]CC1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc2c(c1)[C@H]([NH3+])CC21CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1ccc2c(c1)[C@H]([NH3+])CC21CCN(CC1)C(=O)O[*:1]
C=CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2[n+](CCCOC)c1N COCCC[*:1] C=CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2[n+](c1N)[*:1]
C=CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2[n+](CCCOC)c1N C=CC[*:1] COCCC[n+]1c(N)c(cc2c(=O)n3cc(C)ccc3nc21)C(=O)N[*:1]
C=CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2[n+](CCCOC)c1N COCC[*:1] C=CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2[n+](C[*:1])c1N
C=CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2[n+](CCCOC)c1N COC[*:1] C=CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2[n+](CC[*:1])c1N
C=CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2[n+](CCCOC)c1N C=CCNC(=O)[*:1] COCCC[n+]1c(N)c(cc2c(=O)n3cc(C)ccc3nc21)[*:1]
O=C(Nc1ccc2c(c1)COC2)NC1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(Nc1ccc2COCc2c1)NC1CCN(CC1)[*:1]
Cc1cccc(NC(=O)C(=O)NCc2ccc(COC(C)C)cc2)c1 Cc1cccc(c1)[*:1] CC(C)OCc1ccc(cc1)CNC(=O)C(=O)N[*:1]
Cc1cccc(NC(=O)C(=O)NCc2ccc(COC(C)C)cc2)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)C(=O)NCc1ccc(cc1)CO[*:1]
Cc1cccc(NC(=O)C(=O)NCc2ccc(COC(C)C)cc2)c1 CC(C)OC[*:1] Cc1cccc(c1)NC(=O)C(=O)NCc1ccc(cc1)[*:1]
Cc1cccc(NC(=O)C(=O)NCc2ccc(COC(C)C)cc2)c1 CC(C)O[*:1] Cc1cccc(c1)NC(=O)C(=O)NCc1ccc(cc1)C[*:1]
Cc1ccc(SCCC(=O)N(C[C@H]2CCCO2)c2nc3ccc(F)cc3s2)cc1 Cc1ccc(cc1)[*:1] O=C(CCS[*:1])N(C[C@H]1CCCO1)c1nc2ccc(F)cc2s1
Cc1ccc(SCCC(=O)N(C[C@H]2CCCO2)c2nc3ccc(F)cc3s2)cc1 Cc1ccc(cc1)S[*:1] O=C(CC[*:1])N(C[C@H]1CCCO1)c1nc2ccc(F)cc2s1
Cc1ccc(SCCC(=O)N(C[C@H]2CCCO2)c2nc3ccc(F)cc3s2)cc1 Cc1ccc(cc1)SC[*:1] O=C(C[*:1])N(C[C@H]1CCCO1)c1nc2ccc(F)cc2s1
COCCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 COCCO[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
COCCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 COCC[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)O[*:1]
COCCOc1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 COC[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC[*:1]
O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn12)Nc1ccc(F)cc1F Clc1ccccc1CN[*:1] O=C(CCc1nnc2ccc(nn12)[*:1])Nc1ccc(F)cc1F
O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn12)Nc1ccc(F)cc1F Clc1ccccc1[*:1] O=C(CCc1nnc2ccc(nn12)NC[*:1])Nc1ccc(F)cc1F
O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn12)Nc1ccc(F)cc1F Clc1ccccc1C[*:1] O=C(CCc1nnc2ccc(nn12)N[*:1])Nc1ccc(F)cc1F
O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn12)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CCc1nnc2ccc(nn12)NCc1ccccc1Cl)N[*:1]
CCC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCC[C@H](NC(N)=O)C(=O)NC[*:1]
CCC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCO1 CCC[*:1] NC(=O)N[C@H](C(=O)NC[C@@H]1CCCO1)[*:1]
CCC[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCO1 NC(=O)N[*:1] CCC[C@H](C(=O)NC[C@@H]1CCCO1)[*:1]
CN(C)C(=O)CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 CN(C)C(=O)C[*:1] O=C(NC[*:1])[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
CN(C)C(=O)CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 CN(C)C(=O)[*:1] O=C(NCC[*:1])[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(Cl)cc1[*:1]
COC(=O)c1ccc(C[S@](=O)c2cc(C)ccc2C)nc1 COC(=O)[*:1] Cc1ccc(C)c(c1)[S@@](=O)Cc1ccc(cn1)[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])s1)N1CCc2ccccc2C1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(s1)[*:1])N1CCc2ccccc2C1
Nc1cnc2c(ccc3nn(-c4ccccc4)nc32)n1 c1ccc(cc1)[*:1] Nc1cnc2c(ccc3nn(nc32)[*:1])n1
Cc1cccc(NC(=O)OC(C)C)n1 CC(C)[*:1] Cc1cccc(n1)NC(=O)O[*:1]
O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/C=C/c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/C=C[*:1]
O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 O=C(CNC(=O)[C@H]1COc2ccccc2O1)NN=C[*:1]
Cc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O Cc1ccccc1[*:1] O=C(N[*:1])c1nn(ccc1=O)-c1ccc(Cl)cc1
Cc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O Clc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)c1nn(ccc1=O)[*:1]
COc1ccc(-c2nc(CN(c3cccc(C#N)c3)S(C)(=O)=O)co2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)N(Cc1coc(n1)[*:1])c1cccc(C#N)c1
COc1ccc(-c2nc(CN(c3cccc(C#N)c3)S(C)(=O)=O)co2)cc1 N#Cc1cccc(c1)[*:1] COc1ccc(cc1)-c1nc(co1)CN(S(C)(=O)=O)[*:1]
COc1cccc(N2CCN(C(=O)c3c(F)ccc(C)c3Cl)CC2=O)c1 COc1cccc(c1)[*:1] Cc1ccc(F)c(C(=O)N2CCN(C(=O)C2)[*:1])c1Cl
O=c1c(Cc2ccc(Cl)cc2)c([O-])ccn1Cc1ccccc1 c1ccc(cc1)[*:1] O=c1c(Cc2ccc(Cl)cc2)c([O-])ccn1C[*:1]
O=c1c(Cc2ccc(Cl)cc2)c([O-])ccn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=c1c(Cc2ccc(Cl)cc2)c([O-])ccn1[*:1]
O=c1c(Cc2ccc(Cl)cc2)c([O-])ccn1Cc1ccccc1 Clc1ccc(cc1)[*:1] O=c1c(C[*:1])c([O-])ccn1Cc1ccccc1
COc1cccc(/C=C(\NC(C)=O)c2nc3cc(Cl)ccc3[nH]2)c1 COc1cccc(c1)[*:1] CC(=O)NC(=C[*:1])c1nc2cc(Cl)ccc2[nH]1
COc1cccc(/C=C(\NC(C)=O)c2nc3cc(Cl)ccc3[nH]2)c1 CC(=O)N[*:1] COc1cccc(C=C(c2nc3cc(Cl)ccc3[nH]2)[*:1])c1
Cc1ccc(/C=C/CC(=O)NCCNC(=O)c2ccccc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(CC=C[*:1])NCCNC(=O)c1ccccc1Cl
Cc1ccc(/C=C/CC(=O)NCCNC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] Cc1ccc(/C=C/CC(=O)NCCNC(=O)[*:1])cc1
CC(=O)c1cc2ncc(C(=O)NC3CCCCCC3)cc2[nH]1 CC(=O)[*:1] O=C(NC1CCCCCC1)c1cnc2cc([nH]c2c1)[*:1]
CC(=O)c1cc2ncc(C(=O)NC3CCCCCC3)cc2[nH]1 C1CCCC(CC1)[*:1] CC(=O)c1cc2ncc(cc2[nH]1)C(=O)N[*:1]
COc1ccc(CCN2C[C@H](Nc3cnc4ccccc4n3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C1C[C@H](CN1CC[*:1])Nc1cnc2ccccc2n1
COc1ccc(CCN2C[C@H](Nc3cnc4ccccc4n3)CC2=O)cc1 COc1ccc(cc1)C[*:1] O=C1C[C@H](CN1C[*:1])Nc1cnc2ccccc2n1
COc1ccc(OC[C@@H]2CCCN(C(=O)c3ccnc(OC)c3)C2)cc1 COc1cc(ccn1)[*:1] COc1ccc(cc1)OC[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(OC[C@@H]2CCCN(C(=O)c3ccnc(OC)c3)C2)cc1 COc1ccc(cc1)[*:1] COc1cc(ccn1)C(=O)N1CCC[C@@H](CO[*:1])C1
COc1ccc(CN2CCN(C(=O)Cn3ccccc3=O)CC2)c(OC)c1OC O=c1ccccn1C[*:1] COc1ccc(CN2CCN(CC2)C(=O)[*:1])c(OC)c1OC
COc1ccc(CN2CCN(C(=O)Cn3ccccc3=O)CC2)c(OC)c1OC O=c1ccccn1[*:1] COc1ccc(CN2CCN(CC2)C(=O)C[*:1])c(OC)c1OC
CCCc1cc(NC(=O)N(C)Cc2ccc(F)cc2Cl)n(C)n1 CCC[*:1] CN(Cc1ccc(F)cc1Cl)C(=O)Nc1cc(nn1C)[*:1]
CCCCc1ccc(NC(=O)c2cnc3cc(C)ccn3c2=O)cc1 CCC[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)Nc1ccc(cc1)C[*:1]
CCCCc1ccc(NC(=O)c2cnc3cc(C)ccn3c2=O)cc1 CCCC[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(=O)n(C)cc1NC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1cc(=O)n(C)cc1NC(=O)N1CCC[C@H]1c1ccc(cc1)[*:1]
CCn1c(SCC(=O)NC2CC2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCC(=O)NC1CC1
CCn1c(SCC(=O)NC2CC2)nnc1-c1ccccc1 O=C(C[*:1])NC1CC1 CCn1c(nnc1-c1ccccc1)S[*:1]
CCn1c(SCC(=O)NC2CC2)nnc1-c1ccccc1 O=C(NC1CC1)[*:1] CCn1c(nnc1-c1ccccc1)SC[*:1]
CCn1c(SCC(=O)NC2CC2)nnc1-c1ccccc1 C1CC1[*:1] CCn1c(nnc1-c1ccccc1)SCC(=O)N[*:1]
CCC[NH2+][C@H](Cc1ncnn1CC)[C@@H]1CSCCO1 CCC[*:1] CCn1ncnc1C[C@@H]([NH2+][*:1])[C@@H]1CSCCO1
O=S1(=O)N=C(NCC2(c3ccccc3)CC2)c2ccccc21 c1ccc(cc1)[*:1] O=S1(=O)N=C(NCC2(CC2)[*:1])c2ccccc21
COc1cccc(-c2noc(N3CCN(C(=O)[C@H]4C[C@H]4C)CC3)n2)c1 COc1cccc(c1)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)c1nc(no1)[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)c1ccccc1SCC(N)=O NC(=O)CS[*:1] C[C@H]1C[C@H](C)CCN1C(=O)c1ccccc1[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)c1ccccc1SCC(N)=O NC(=O)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)c1ccccc1SC[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)c1ccccc1SCC(N)=O NC(=O)C[*:1] C[C@H]1C[C@H](C)CCN1C(=O)c1ccccc1S[*:1]
C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F O=C([O-])[*:1] C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1F)[*:1]
C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F C[C@H]1CCCC[C@@H]1[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)N[*:1]
O=C(NCCOc1ccccc1C(F)(F)F)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(NCCOc1ccccc1C(F)(F)F)N1CCOC[C@H]1[*:1]
O=C(NCCOc1ccccc1C(F)(F)F)N1CCOC[C@@H]1C1CC1 FC(F)(F)[*:1] O=C(NCCOc1ccccc1[*:1])N1CCOC[C@@H]1C1CC1
COc1ccc(NC(=O)NCC(C)(C)c2ccncc2)c(Cl)c1 c1cc(ccn1)[*:1] COc1ccc(NC(=O)NCC(C)(C)[*:1])c(Cl)c1
COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccccc1Cl COc1ccccc1[*:1] O=C(CSc1nc2ncccc2c(=O)n1Cc1ccccc1Cl)N[*:1]
COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccccc1Cl Clc1ccccc1C[*:1] COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1[*:1]
COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccccc1Cl Clc1ccccc1[*:1] COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1C[*:1]
O=C(C[NH+]1CCN(C(=O)C2CCN(c3ccc(Cl)nn3)CC2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(Cl)nn1)N[*:1]
O=C(C[NH+]1CCN(C(=O)C2CCN(c3ccc(Cl)nn3)CC2)CC1)Nc1ccc(F)cc1 Clc1ccc(nn1)[*:1] O=C(C[NH+]1CCN(CC1)C(=O)C1CCN(CC1)[*:1])Nc1ccc(F)cc1
O=C(C[NH+]1CCN(C(=O)C2CCN(c3ccc(Cl)nn3)CC2)CC1)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=C(C1CCN(CC1)c1ccc(Cl)nn1)N1CC[NH+](CC1)C[*:1]
Cc1ccc(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1C Cc1ccc(cc1C)[*:1] Cn1c(nc2cc(ccc21)S(N)(=O)=O)SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1C NS(=O)(=O)[*:1] Cc1ccc(cc1C)NC(=O)CSc1nc2cc(ccc2n1C)[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NCc1ccco1)[C@H]2c1cccs1 O=C(NCc1ccco1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C[*:1])[C@H]2c1cccs1
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NCc1ccco1)[C@H]2c1cccs1 O=C(C[*:1])NCc1ccco1 CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@H]2c1cccs1)[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NCc1ccco1)[C@H]2c1cccs1 c1coc(c1)C[*:1] CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N[*:1])[C@H]2c1cccs1
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NCc1ccco1)[C@H]2c1cccs1 c1csc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NCc1ccco1)[C@@H]2[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NCc1ccco1)[C@H]2c1cccs1 c1coc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC[*:1])[C@H]2c1cccs1
O=C(C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(C[C@H]1C(=O)N(c2nc3ccccc3n21)C1CC1)N[*:1]
O=C(C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 C1CC1[*:1] O=C(C[C@H]1C(=O)N(c2nc3ccccc3n21)[*:1])Nc1cccc(Cl)c1
CCCNC(=O)[C@H](C)NC(=O)c1ccncc1C#CCO CCCNC(=O)[*:1] C[C@H](NC(=O)c1ccncc1C#CCO)[*:1]
CCCNC(=O)[C@H](C)NC(=O)c1ccncc1C#CCO CCC[*:1] C[C@H](NC(=O)c1ccncc1C#CCO)C(=O)N[*:1]
CCCNC(=O)[C@H](C)NC(=O)c1ccncc1C#CCO OCC#C[*:1] CCCNC(=O)[C@H](C)NC(=O)c1ccncc1[*:1]
CSc1ncc(CN2CCO[C@@H](Cc3ccccc3Cl)C2)cn1 Clc1ccccc1[*:1] CSc1ncc(cn1)CN1CCO[C@H](C1)C[*:1]
COc1cccc2c1CC[C@@H]2NCCc1coc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] COc1cccc2c1CC[C@@H]2NCCc1coc(n1)[*:1]
Cn1c(/C(C#N)=C\c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 O=[N+]([O-])[*:1] Cn1c(nnc1-c1ccccc1)/C(C#N)=C\c1cccc(c1)[*:1]
Cn1c(/C(C#N)=C\c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])/C(C#N)=C\c1cccc(c1)[N+](=O)[O-]
COC(=O)[C@H](NC(=O)[C@@H](C)c1ccsc1)c1ccc(F)cc1F c1cc(cs1)[*:1] COC(=O)[C@H](NC(=O)[C@@H](C)[*:1])c1ccc(F)cc1F
COC(=O)[C@H](NC(=O)[C@@H](C)c1ccsc1)c1ccc(F)cc1F C[C@@H](c1ccsc1)[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(F)cc1F
COC(=O)[C@H](NC(=O)[C@@H](C)c1ccsc1)c1ccc(F)cc1F COC(=O)[*:1] C[C@H](C(=O)N[C@H](c1ccc(F)cc1F)[*:1])c1ccsc1
Cc1n[nH]c(C2CC2)c1C(=O)N1C[C@@H](C[NH+]2CCCC2)C[C@@H](CO)C1 C1CC1[*:1] Cc1n[nH]c(c1C(=O)N1C[C@H](C[C@@H](CO)C1)C[NH+]1CCCC1)[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccc4cn[nH]c4c3)nc3ccccc3c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])Nc1ccc2cn[nH]c2c1
Cc1ccc(-n2c(SCC(=O)Nc3ccc4cn[nH]c4c3)nc3ccccc3c2=O)cc1 c1cc2cn[nH]c2cc1[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
CN(C)[C@@H](C[NH2+][C@@H]1CCCC1(C)C)c1ccccc1 c1ccc(cc1)[*:1] CN(C)[C@@H](C[NH2+][C@@H]1CCCC1(C)C)[*:1]
CN(C)[C@@H](C[NH2+][C@@H]1CCCC1(C)C)c1ccccc1 CN(C)[*:1] CC1(C)CCC[C@H]1[NH2+]C[C@@H](c1ccccc1)[*:1]
Cc1cccc(N2C[C@@H](C(=O)N3CCC(OCC(C)C)CC3)CC2=O)c1C CC(C)C[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)O[*:1]
Cc1cccc(N2C[C@@H](C(=O)N3CCC(OCC(C)C)CC3)CC2=O)c1C Cc1cccc(c1C)[*:1] CC(C)COC1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1cccc(N2C[C@@H](C(=O)N3CCC(OCC(C)C)CC3)CC2=O)c1C CC(C)CO[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
Cc1cccc(N2C[C@@H](C(=O)N3CCC(OCC(C)C)CC3)CC2=O)c1C CC(C)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)OC[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N(C)CCC(C)C)c1 CC(C)[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N(C)CC[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N(C)CCC(C)C)c1 CNC(=O)[*:1] COc1ccc(cc1NC(=O)N(C)CCC(C)C)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N(C)CCC(C)C)c1 CC(C)CC[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N(C)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N(C)CCC(C)C)c1 CC(C)C[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N(C)C[*:1]
CN(CCc1cccs1)C(=O)Nc1ccc(Oc2cccnc2)nc1 c1csc(c1)[*:1] CN(CC[*:1])C(=O)Nc1ccc(nc1)Oc1cccnc1
CN(CCc1cccs1)C(=O)Nc1ccc(Oc2cccnc2)nc1 c1csc(c1)C[*:1] CN(C[*:1])C(=O)Nc1ccc(nc1)Oc1cccnc1
CN(CCc1cccs1)C(=O)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)[*:1] CN(CCc1cccs1)C(=O)Nc1ccc(nc1)O[*:1]
CN(CCc1cccs1)C(=O)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)O[*:1] CN(CCc1cccs1)C(=O)Nc1ccc(nc1)[*:1]
CN(CCc1cccs1)C(=O)Nc1ccc(Oc2cccnc2)nc1 c1csc(c1)CC[*:1] CN(C(=O)Nc1ccc(nc1)Oc1cccnc1)[*:1]
CCN(CC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCN(CC(=O)NC(C)(C)C)Cc1ccc(cc1)[*:1]
CCN(CC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 CC(C)(C)[*:1] CCN(CC(=O)N[*:1])Cc1ccc(cc1)[N+](=O)[O-]
CCN(CC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 CC(C)(C)NC(=O)[*:1] CCN(Cc1ccc(cc1)[N+](=O)[O-])C[*:1]
COc1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1 c1csc(c1)[*:1] COc1ccc2oc(nc2c1)-c1ccc(cc1)NC(=O)[*:1]
COc1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1 O=C(N[*:1])c1cccs1 COc1ccc2oc(nc2c1)-c1ccc(cc1)[*:1]
Cc1cc(NC(=O)CN2CCO[C@H](c3ccccc3Cl)C2)no1 Cc1cc(no1)[*:1] O=C(CN1CCO[C@@H](C1)c1ccccc1Cl)N[*:1]
Cc1cc(NC(=O)CN2CCO[C@H](c3ccccc3Cl)C2)no1 Clc1ccccc1[*:1] Cc1cc(no1)NC(=O)CN1CCO[C@H](C1)[*:1]
C[C@H]1C[C@@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)CS1 C1CC1C[*:1] C[C@H]1C[C@](C[NH3+])(CS1)N1CC[NH+](CC1)[*:1]
C[C@H]1C[C@@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)CS1 C1CC1[*:1] C[C@H]1C[C@](C[NH3+])(CS1)N1CC[NH+](CC1)C[*:1]
OC[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] OC[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1
OC[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] OC[C@H]([NH2+]Cc1ccc(cc1)-c1ccccc1)[*:1]
Cc1c(Cl)cccc1S(=O)(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] Cc1c(Cl)cccc1S(=O)(=O)N1CCC(CC1)[*:1]
Cc1ccc(/C=C/CC(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc([N-]S(C)(=O)=O)c(c1)NC(=O)CC=C[*:1]
Cc1csc(=O)n1CCC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 Cc1csc(=O)n1[*:1] C[C@@H](NC(=O)CC[*:1])c1cccc(c1)N1CCCC1
Cc1csc(=O)n1CCC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] Cc1csc(=O)n1CCC(=O)N[C@H](C)c1cccc(c1)[*:1]
Cc1csc(=O)n1CCC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 Cc1csc(=O)n1C[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(c1)N1CCCC1
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 CCOC(=O)[*:1] C[C@@H](CO)NS(=O)(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 C[C@@H](CO)[*:1] CCOC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 c1ccc(cc1)[*:1] O=C(CN(C[*:1])S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1
O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 Clc1ccc(Cl)c(c1)[*:1] O=C(CN(Cc1ccccc1)S(=O)(=O)[*:1])N1CCCC1
O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 c1ccc(cc1)C[*:1] O=C(CN(S(=O)(=O)c1cc(Cl)ccc1Cl)[*:1])N1CCCC1
O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1ccccc1)C[*:1]
O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 O=C(C[*:1])N1CCCC1 O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1ccccc1)[*:1]
COc1cc(OC)cc(C(=O)N(C)Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)N(C)C[*:1])OC
COc1cc(OC)cc(C(=O)N(C)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cc(cc(c1)C(=O)N(C)[*:1])OC
C[NH+](Cc1cccc(-c2ccccn2)c1)CC1(O)CCCC1 c1ccc(nc1)[*:1] C[NH+](Cc1cccc(c1)[*:1])CC1(O)CCCC1
C[NH+](Cc1cccc(-c2ccccn2)c1)CC1(O)CCCC1 OC1(CCCC1)[*:1] C[NH+](Cc1cccc(c1)-c1ccccn1)C[*:1]
CCN1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O Cc1ccc(cc1)[*:1] CCN1C(=O)[C@H]2[C@@H](N[C@@](C)(C(=O)OC)[C@@H]2C1=O)[*:1]
CCN1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)N[C@@](C)(C(=O)OC)[C@@H]2C1=O COC(=O)[*:1] CCN1C(=O)[C@H]2[C@H](N[C@@](C)([C@@H]2C1=O)[*:1])c1ccc(C)cc1
CN(C(=O)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21)c1ccccc1 O=C(NC[*:1])c1cccnc1 CN(C(=O)Cn1c(C[*:1])nc2ccccc21)c1ccccc1
CN(C(=O)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21)c1ccccc1 c1cncc(c1)[*:1] CN(C(=O)Cn1c(CCNC(=O)[*:1])nc2ccccc21)c1ccccc1
CN(C(=O)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21)c1ccccc1 CN(C(=O)[*:1])c1ccccc1 O=C(NCCc1nc2ccccc2n1C[*:1])c1cccnc1
CN(C(=O)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21)c1ccccc1 O=C(N[*:1])c1cccnc1 CN(C(=O)Cn1c(CC[*:1])nc2ccccc21)c1ccccc1
CN(C(=O)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21)[*:1]
CON(C)C(=O)CNC(=O)c1cc(C)cc(C)c1 CON(C)C(=O)[*:1] Cc1cc(C)cc(c1)C(=O)NC[*:1]
Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnn1-c1ccc([O-])nn1 FC(F)(F)[*:1] Cc1c(cnn1-c1ccc([O-])nn1)C(=O)Nc1cccc(c1)[*:1]
O=C(c1cc(-c2ccccc2)on1)N1CCC2(CC1)OCCCO2 c1ccc(cc1)[*:1] O=C(c1cc(on1)[*:1])N1CCC2(CC1)OCCCO2
COc1cccc2c1N(C(=O)CCc1ccc(C)o1)CCC2 Cc1ccc(o1)[*:1] COc1cccc2CCCN(C(=O)CC[*:1])c21
COc1cccc2c1N(C(=O)CCc1ccc(C)o1)CCC2 Cc1ccc(C[*:1])o1 COc1cccc2CCCN(C(=O)C[*:1])c21
CN(Cc1ccccc1Br)C(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] CN(Cc1ccccc1Br)C(=O)Nc1ccccc1[*:1]
CN(Cc1ccccc1Br)C(=O)Nc1ccccc1N1CCCC1=O Brc1ccccc1C[*:1] CN(C(=O)Nc1ccccc1N1CCCC1=O)[*:1]
CN(Cc1ccccc1Br)C(=O)Nc1ccccc1N1CCCC1=O Brc1ccccc1[*:1] CN(C[*:1])C(=O)Nc1ccccc1N1CCCC1=O
O=Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 c1ccc(cc1)[*:1] O=Cc1ccc(cc1)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
O=Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] O=Cc1ccc(cc1)C(=O)N[C@H](c1ccccc1)[*:1]
O=Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 O=Cc1ccc(cc1)[*:1] O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)[*:1]
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC[C@@H]1CCCN(C1)[*:1]
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])N(C)C(=O)NC[C@@H]1CCCN(C1)c1ncccn1
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 Cc1ccc(cc1)C[*:1] CC[C@H](N(C)C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
COC(=O)CN(Cc1nnc(-c2cc(C)oc2C)o1)C1CCOCC1 C1CC(CCO1)[*:1] COC(=O)CN(Cc1nnc(o1)-c1cc(C)oc1C)[*:1]
COC(=O)CN(Cc1nnc(-c2cc(C)oc2C)o1)C1CCOCC1 COC(=O)C[*:1] Cc1cc(-c2nnc(CN(C3CCOCC3)[*:1])o2)c(C)o1
COC(=O)CN(Cc1nnc(-c2cc(C)oc2C)o1)C1CCOCC1 Cc1cc(c(C)o1)[*:1] COC(=O)CN(Cc1nnc(o1)[*:1])C1CCOCC1
COC(=O)CN(Cc1nnc(-c2cc(C)oc2C)o1)C1CCOCC1 COC(=O)[*:1] Cc1cc(-c2nnc(CN(C[*:1])C3CCOCC3)o2)c(C)o1
COc1cc2c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c(=O)n(C)c2cc1OC c1coc(c1)[*:1] COc1cc2c(=O)n(Cc3ccc(cc3)C(=O)NC[*:1])c(=O)n(C)c2cc1OC
COc1cc2c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c(=O)n(C)c2cc1OC O=C(NCc1ccco1)[*:1] COc1cc2c(=O)n(Cc3ccc(cc3)[*:1])c(=O)n(C)c2cc1OC
COc1cc2c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c(=O)n(C)c2cc1OC c1coc(c1)C[*:1] COc1cc2c(=O)n(Cc3ccc(cc3)C(=O)N[*:1])c(=O)n(C)c2cc1OC
COc1ccc([C@@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1OC COc1ccc(cc1OC)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(=O)C[C@H]2[*:1])c1ccccc1Cl
COc1ccc([C@@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)N(C2CC(C)(C)CC(=O)C=21)[*:1]
Cc1cc(C(=O)Nc2ccc(F)cc2)sc1C#CCCO OCCC#C[*:1] Cc1cc(sc1[*:1])C(=O)Nc1ccc(F)cc1
Cc1cc(C(=O)Nc2ccc(F)cc2)sc1C#CCCO Fc1ccc(cc1)[*:1] Cc1cc(sc1C#CCCO)C(=O)N[*:1]
Cc1cc(C(=O)Nc2ccc(F)cc2)sc1C#CCCO OCC[*:1] Cc1cc(sc1C#C[*:1])C(=O)Nc1ccc(F)cc1
CC[NH+]1CCN(C(=O)c2cccn2-c2nnc(N3CCCCC3)s2)CC1 C1CCN(CC1)[*:1] CC[NH+]1CCN(CC1)C(=O)c1cccn1-c1nnc(s1)[*:1]
Cc1ccc(C(=O)Nc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)c(Br)c2)s1 Cc1ccc(s1)[*:1] CS(=O)(=O)N(c1ccc(cc1Br)NC(=O)[*:1])S(C)(=O)=O
CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)Cc1nc2ccccc2o1 CC(C)[*:1] CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCNC(=O)c1ccc2c(c1)CCCN2C(=O)[*:1]
CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 CCNC(=O)[*:1] O=C(c1cccc(Cl)c1)N1CCCc2cc(ccc21)[*:1]
COC(=O)c1nn(C)c(C)c1NC(=O)Cc1ccc(-n2cnnn2)cc1 COC(=O)[*:1] Cc1c(NC(=O)Cc2ccc(cc2)-n2cnnn2)c(nn1C)[*:1]
COC(=O)c1nn(C)c(C)c1NC(=O)Cc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] COC(=O)c1nn(C)c(C)c1NC(=O)Cc1ccc(cc1)[*:1]
O=C(Cc1ccc(F)cc1F)NNc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(Cc1ccc(F)cc1F)NNc1ccccc1[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(C[C@@H]2CCCO2)c2ccncc2)C1 C1CO[C@@H](C1)[*:1] CC[C@@H](C)C(=O)N1CCC[C@H](C1)C(=O)N(C[*:1])c1ccncc1
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(C[C@@H]2CCCO2)c2ccncc2)C1 C1CO[C@@H](C1)C[*:1] CC[C@@H](C)C(=O)N1CCC[C@H](C1)C(=O)N(c1ccncc1)[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(C[C@@H]2CCCO2)c2ccncc2)C1 c1cc(ccn1)[*:1] CC[C@@H](C)C(=O)N1CCC[C@H](C1)C(=O)N(C[C@@H]1CCCO1)[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(C[C@@H]2CCCO2)c2ccncc2)C1 CC[C@@H](C)[*:1] O=C([C@@H]1CCCN(C1)C(=O)[*:1])N(C[C@@H]1CCCO1)c1ccncc1
CCOC(=O)c1cc(Cl)c(N)c2c1OCCO2 CCOC(=O)[*:1] Nc1c(Cl)cc(c2OCCOc12)[*:1]
Cc1ccccc1OCc1nc2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2n1 O=[N+]([O-])[*:1] Cc1ccccc1OCc1nc2s/c(=C\c3ccc(o3)-c3ccc(cc3)[*:1])c(=O)n2n1
Cc1ccccc1OCc1nc2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2n1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccccc1OCc1nc2s/c(=C\c3ccc(o3)[*:1])c(=O)n2n1
Cc1ccccc1OCc1nc2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2n1 Cc1ccccc1O[*:1] O=c1/c(=C/c2ccc(o2)-c2ccc(cc2)[N+](=O)[O-])sc2nc(C[*:1])nn12
Cc1ccccc1OCc1nc2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2n1 Cc1ccccc1OC[*:1] O=c1/c(=C/c2ccc(o2)-c2ccc(cc2)[N+](=O)[O-])sc2nc(nn12)[*:1]
Cc1ccccc1OCc1nc2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2n1 Cc1ccccc1[*:1] O=c1/c(=C/c2ccc(o2)-c2ccc(cc2)[N+](=O)[O-])sc2nc(CO[*:1])nn12
NC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@H](c1ccccc1)c1ccco1 c1coc(c1)[*:1] NC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@H](c1ccccc1)[*:1]
NC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@H](c1ccccc1)c1ccco1 NC(=O)[*:1] O=C(N[C@H](c1ccccc1)c1ccco1)N[C@@H]1CCC[C@@H]1[*:1]
NC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@H](c1ccco1)[*:1]
CC(C)(C)NC(=O)CSc1ccccn1 CC(C)(C)[*:1] O=C(CSc1ccccn1)N[*:1]
COc1c(C)cnc(CNC(=O)[C@H](CC(C)C)N2CCCCC2=O)c1C CC(C)C[*:1] COc1c(C)cnc(CNC(=O)[C@H](N2CCCCC2=O)[*:1])c1C
COc1c(C)cnc(CNC(=O)[C@H](CC(C)C)N2CCCCC2=O)c1C CC(C)[*:1] COc1c(C)cnc(CNC(=O)[C@H](C[*:1])N2CCCCC2=O)c1C
COc1c(C)cnc(CNC(=O)[C@H](CC(C)C)N2CCCCC2=O)c1C O=C1CCCCN1[*:1] COc1c(C)cnc(CNC(=O)[C@H](CC(C)C)[*:1])c1C
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cncc(Br)c1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(o1)-c1ccc(cc1)[*:1])c1cncc(Br)c1
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C(N/N=C/c1ccc(o1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ccc(NC(=O)C[C@H]2SC[C@H](C(=O)[O-])NC2=O)cc1 O=C([O-])[*:1] COc1ccc(cc1)NC(=O)C[C@H]1SC[C@H](NC1=O)[*:1]
Cc1cc(C(=O)COC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)n1C Cc1cc(c(C)n1C)[*:1] O=C(C[C@H]1Sc2ccc(cc2NC1=O)C(F)(F)F)OCC(=O)[*:1]
Cc1cc(C(=O)COC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)n1C FC(F)(F)[*:1] Cc1cc(C(=O)COC(=O)C[C@H]2Sc3ccc(cc3NC2=O)[*:1])c(C)n1C
Cc1cc(C(=O)COC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)n1C Cc1cc(C(=O)[*:1])c(C)n1C O=C(C[C@H]1Sc2ccc(cc2NC1=O)C(F)(F)F)OC[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)c2)no1 CCc1nc(no1)[*:1] CC1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1cc(cs1)[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)c2)no1 CC1CCN(CC1)C(=O)[*:1] CCc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC(CC1)[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H](C)NC(=O)C1CCC1 C1CC(C1)[*:1] COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H](C)NC(=O)[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H](C)NC(=O)C1CCC1 COC(=O)[*:1] C[C@@H](NC(=O)C1CCC1)C(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H](C)NC(=O)C1CCC1 O=C(N[*:1])C1CCC1 COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H](C)[*:1]
C/C(=C/C(=O)NCCNC(=O)c1ccc(O)cc1)c1ccccc1Cl Clc1ccccc1[*:1] CC(=CC(=O)NCCNC(=O)c1ccc(O)cc1)[*:1]
C/C(=C/C(=O)NCCNC(=O)c1ccc(O)cc1)c1ccccc1Cl Oc1ccc(cc1)[*:1] C/C(=C/C(=O)NCCNC(=O)[*:1])c1ccccc1Cl
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCC(c3ccccc3)CC2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H](C1)C(=O)N1CCC(CC1)c1ccccc1
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCC(c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)C(=O)N1CCC(CC1)[*:1]
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Br)c1 CSCC[*:1] O=C(N[C@@H](C(=O)Nc1cccc(Br)c1)[*:1])c1ccccc1Cl
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Br)c1 CSC[*:1] O=C(N[C@H](C[*:1])C(=O)Nc1cccc(Br)c1)c1ccccc1Cl
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[*:1]
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Br)c1 Clc1ccccc1[*:1] CSCC[C@@H](NC(=O)[*:1])C(=O)Nc1cccc(Br)c1
COc1ccc(C(N)=O)cc1NC(=O)C(C)(C)c1cccc(C#N)c1 NC(=O)[*:1] COc1ccc(cc1NC(=O)C(C)(C)c1cccc(C#N)c1)[*:1]
COc1ccc(C(N)=O)cc1NC(=O)C(C)(C)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] COc1ccc(cc1NC(=O)C(C)(C)[*:1])C(N)=O
NC(=O)c1ccc(NC(=O)c2cc(F)ccc2O)cc1Cl NC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1cc(F)ccc1O
CCN(C1CCCC1)[C@@H](C[NH3+])c1ccccc1C1CC1 C1CC1[*:1] CCN(C1CCCC1)[C@@H](C[NH3+])c1ccccc1[*:1]
CCN(C1CCCC1)[C@@H](C[NH3+])c1ccccc1C1CC1 C1CCC(C1)[*:1] CCN([C@@H](C[NH3+])c1ccccc1C1CC1)[*:1]
CC(C)c1nc([C@@H](C)NC(=O)CCNC(=O)c2cccs2)cs1 CC(C)[*:1] C[C@@H](NC(=O)CCNC(=O)c1cccs1)c1csc(n1)[*:1]
CC(C)c1nc([C@@H](C)NC(=O)CCNC(=O)c2cccs2)cs1 c1csc(c1)[*:1] CC(C)c1nc(cs1)[C@@H](C)NC(=O)CCNC(=O)[*:1]
O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c(c1)[*:1]
O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ccc(Cl)c(c1)C(=O)NC1CC1
O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c(c1)C(=O)N[*:1]
O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 C(=C[*:1])c1ccccc1 O=C(NC1CC1)c1cc(ccc1Cl)NC(=O)[*:1]
CCOC(=O)C1CCN(C(=O)N[C@@H](CC)c2ccncc2)CC1 CCOC(=O)[*:1] CC[C@H](NC(=O)N1CCC(CC1)[*:1])c1ccncc1
CCOC(=O)C1CCN(C(=O)N[C@@H](CC)c2ccncc2)CC1 c1cc(ccn1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](CC)[*:1]
O=S(=O)(NCC[NH+]1CCC(c2cccs2)CC1)c1ccccc1Br Brc1ccccc1[*:1] O=S(=O)(NCC[NH+]1CCC(CC1)c1cccs1)[*:1]
O=S(=O)(NCC[NH+]1CCC(c2cccs2)CC1)c1ccccc1Br c1csc(c1)[*:1] O=S(=O)(NCC[NH+]1CCC(CC1)[*:1])c1ccccc1Br
COC(=O)[C@]1(F)CCN(C(=O)c2ccc(OCCC(C)C)cc2)C1 CC(C)CCO[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1ccc(cc1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2ccc(OCCC(C)C)cc2)C1 COC(=O)[*:1] CC(C)CCOc1ccc(cc1)C(=O)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2ccc(OCCC(C)C)cc2)C1 CC(C)C[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1ccc(cc1)OC[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2ccc(OCCC(C)C)cc2)C1 CC(C)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1ccc(cc1)OCC[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2ccc(OCCC(C)C)cc2)C1 CC(C)CC[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1ccc(cc1)O[*:1]
COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1nc(C2CC2)n[nH]1 C1CC1c1n[nH]c(n1)[*:1] COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[*:1]
COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1nc(C2CC2)n[nH]1 C1CC1[*:1] COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1nc(n[nH]1)[*:1]
COc1ccc(-c2nc(COC(=O)c3ccc(F)nc3)no2)cc1 Fc1ccc(cn1)[*:1] COc1ccc(cc1)-c1nc(COC(=O)[*:1])no1
COc1ccc(-c2nc(COC(=O)c3ccc(F)nc3)no2)cc1 COc1ccc(cc1)[*:1] O=C(OCc1noc(n1)[*:1])c1ccc(F)nc1
OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2cc(Cl)ccc2F)C1 Fc1ccc(Cl)cc1[*:1] OC1C[C@H](c2ncn(-c3cccnc3)c2N=1)[*:1]
OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2cc(Cl)ccc2F)C1 c1cncc(c1)[*:1] OC1C[C@H](c2cc(Cl)ccc2F)c2ncn(c2N=1)[*:1]
O=C(Nc1ccc2[nH]ccc2c1)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc2[nH]ccc2c1)C(=O)N1CCC[C@H]1[*:1]
CCc1cc(C(=O)NC2(C(=O)OC)CCSCC2)sc1C COC(=O)[*:1] CCc1cc(sc1C)C(=O)NC1(CCSCC1)[*:1]
COc1ccc2nc(NC(=O)CC[C@@H](C)O)sc2c1 C[C@@H](O)[*:1] COc1ccc2nc(NC(=O)CC[*:1])sc2c1
COc1ccc2nc(NC(=O)CC[C@@H](C)O)sc2c1 C[C@@H](O)CC[*:1] COc1ccc2nc(NC(=O)[*:1])sc2c1
COc1ccc2nc(NC(=O)CC[C@@H](C)O)sc2c1 C[C@@H](O)C[*:1] COc1ccc2nc(NC(=O)C[*:1])sc2c1
CN1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)CC1=O O=C(N1CC[C@@H](O)C1)[*:1] CN1CCN(CC1=O)S(=O)(=O)c1ccc(cc1)[*:1]
NC(=O)c1ccc2c(c1)Cc1ccccc1-2 NC(=O)[*:1] c1ccc2c(c1)Cc1cc(ccc1-2)[*:1]
CC(=O)Nc1cccc(OCC#CCNC(=O)Cn2cccn2)c1 CC(=O)N[*:1] O=C(Cn1cccn1)NCC#CCOc1cccc(c1)[*:1]
CC(=O)Nc1cccc(OCC#CCNC(=O)Cn2cccn2)c1 c1cnn(c1)[*:1] CC(=O)Nc1cccc(c1)OCC#CCNC(=O)C[*:1]
CC(=O)Nc1cccc(OCC#CCNC(=O)Cn2cccn2)c1 c1cnn(c1)C[*:1] CC(=O)Nc1cccc(c1)OCC#CCNC(=O)[*:1]
O=S(=O)(Cc1ccccc1Cl)/N=C(\[O-])c1cc(F)ccc1F Clc1ccccc1[*:1] O=S(=O)(C[*:1])/N=C(\[O-])c1cc(F)ccc1F
CC(C)CC[C@H](C)NC(=O)CN1C[C@@H](C)C[C@H]([NH3+])C1 CC(C)[*:1] C[C@H]1C[C@H]([NH3+])CN(CC(=O)N[C@@H](C)CC[*:1])C1
CC(C)CC[C@H](C)NC(=O)CN1C[C@@H](C)C[C@H]([NH3+])C1 CC(C)C[*:1] C[C@H]1C[C@H]([NH3+])CN(CC(=O)N[C@@H](C)C[*:1])C1
CC(C)CC[C@H](C)NC(=O)CN1C[C@@H](C)C[C@H]([NH3+])C1 CC(C)CC[*:1] C[C@H]1C[C@H]([NH3+])CN(CC(=O)N[C@@H](C)[*:1])C1
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CCC1CCCCC1 C1CCC(CC1)CC[*:1] C[NH+](C)Cc1ccc(cc1NC(=O)[*:1])C(N)=O
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CCC1CCCCC1 NC(=O)[*:1] C[NH+](C)Cc1ccc(cc1NC(=O)CCC1CCCCC1)[*:1]
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CCC1CCCCC1 C1CCC(CC1)[*:1] C[NH+](C)Cc1ccc(cc1NC(=O)CC[*:1])C(N)=O
C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CCC1CCCCC1 C1CCC(CC1)C[*:1] C[NH+](C)Cc1ccc(cc1NC(=O)C[*:1])C(N)=O
COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C Cc1c(Cl)cccc1[*:1] COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)N[*:1])C(=O)N1C
COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C COc1ccc(Cl)cc1[*:1] Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(=N[*:1])N(C)C1=O
Cc1cccc(NC(=O)c2cn(C)c3c(F)cccc3c2=O)c1C Cc1cccc(c1C)[*:1] Cn1cc(C(=O)N[*:1])c(=O)c2cccc(F)c21
O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccc(I)c(F)c1 c1csc(c1)[*:1] O=C(Nc1ccccc1NC(=O)[*:1])c1ccc(I)c(F)c1
O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccc(I)c(F)c1 O=C(N[*:1])c1cccs1 O=C(Nc1ccccc1[*:1])c1ccc(I)c(F)c1
O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccc(I)c(F)c1 Fc1cc(ccc1I)[*:1] O=C(Nc1ccccc1NC(=O)[*:1])c1cccs1
COC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(C)c3)CC(=O)N2C)cc1 Cc1cccc(c1)[*:1] COC(=O)c1ccc(cc1)/N=C1\S[C@H](CC(=O)N1C)C(=O)N[*:1]
COC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(C)c3)CC(=O)N2C)cc1 COC(=O)[*:1] Cc1cccc(c1)NC(=O)[C@H]1CC(=O)N(C)/C(=N/c2ccc(cc2)[*:1])S1
N#Cc1ccc(N2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1ccc(c(c1)[*:1])N1CCC[C@@H]1c1cccnc1
N#Cc1ccc(N2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 c1cncc(c1)[*:1] N#Cc1ccc(c(c1)[N+](=O)[O-])N1CCC[C@H]1[*:1]
COc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(cc(n1)[*:1])NC[C@@H]1CCC[NH2+]C1
COc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 COc1ccc(cc1)[*:1] c1ccc(cc1)-c1cc(nc(n1)[*:1])NC[C@@H]1CCC[NH2+]C1
Cc1nc(N2CCN([C@H](C)CO)CC2)nc(C)c1CC(C)C C[C@H](CO)[*:1] Cc1nc(nc(C)c1CC(C)C)N1CCN(CC1)[*:1]
Cc1nc(N2CCN([C@H](C)CO)CC2)nc(C)c1CC(C)C CC(C)C[*:1] Cc1nc(nc(C)c1[*:1])N1CCN(CC1)[C@H](C)CO
Cc1nc(N2CCN([C@H](C)CO)CC2)nc(C)c1CC(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[*:1])N1CCN(CC1)[C@H](C)CO
Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C CC(C)[*:1] Cc1nn(c(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C)[*:1]
Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C O=C([O-])[*:1] Cc1nn(c(C)c1S(=O)(=O)[N-]c1cccc(c1C)[*:1])C(C)C
Cc1cccc(C)c1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccccc1 Cc1cccc(C)c1[*:1] O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N[*:1]
Cc1cccc(C)c1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)C[C@H]1CCCCN1S(=O)(=O)[*:1]
CC[NH2+]C[C@@H](Cc1ncnn1C(C)C)c1ccc(C)cc1 CC(C)[*:1] CC[NH2+]C[C@@H](Cc1ncnn1[*:1])c1ccc(C)cc1
CC[NH2+]C[C@@H](Cc1ncnn1C(C)C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[NH2+]C[C@@H](Cc1ncnn1C(C)C)[*:1]
CCN(C(=O)c1ccc(-n2ccnn2)cc1)[C@H]1CCCC[C@@H]1C c1cn(nn1)[*:1] CCN(C(=O)c1ccc(cc1)[*:1])[C@H]1CCCC[C@@H]1C
NC(=O)CCOc1ccccc1NC(=O)c1[nH]nc(C2CC2)c1Cl NC(=O)C[*:1] O=C(Nc1ccccc1OC[*:1])c1[nH]nc(c1Cl)C1CC1
NC(=O)CCOc1ccccc1NC(=O)c1[nH]nc(C2CC2)c1Cl NC(=O)CC[*:1] O=C(Nc1ccccc1O[*:1])c1[nH]nc(c1Cl)C1CC1
NC(=O)CCOc1ccccc1NC(=O)c1[nH]nc(C2CC2)c1Cl NC(=O)[*:1] O=C(Nc1ccccc1OCC[*:1])c1[nH]nc(c1Cl)C1CC1
NC(=O)CCOc1ccccc1NC(=O)c1[nH]nc(C2CC2)c1Cl NC(=O)CCO[*:1] O=C(Nc1ccccc1[*:1])c1[nH]nc(c1Cl)C1CC1
NC(=O)CCOc1ccccc1NC(=O)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] NC(=O)CCOc1ccccc1NC(=O)c1[nH]nc(c1Cl)[*:1]
CC(C)c1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccn2)s1 c1ccc(nc1)[*:1] CC(C)c1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2cccs2)[C@H]1[*:1]
CC(C)c1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccn2)s1 O=C(c1cccs1)[*:1] CC(C)c1nnc(s1)N1C(=O)C([O-])=C([C@@H]1c1ccccn1)[*:1]
CC(C)c1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccn2)s1 CC(C)[*:1] O=C(C1=C([O-])C(=O)N(c2nnc(s2)[*:1])[C@H]1c1ccccn1)c1cccs1
CC(C)c1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccn2)s1 CC(C)c1nnc(s1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccccn1)[*:1])c1cccs1
CC(C)c1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccn2)s1 c1csc(c1)[*:1] CC(C)c1nnc(s1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccn1
CC(=O)c1ccc(SCC(=O)Nc2ccc(CC(=O)N(C)C)cc2)c(F)c1 CC(=O)[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)CSc1ccc(cc1F)[*:1]
CC(=O)c1ccc(SCC(=O)Nc2ccc(CC(=O)N(C)C)cc2)c(F)c1 CN(C)C(=O)C[*:1] CC(=O)c1ccc(SCC(=O)Nc2ccc(cc2)[*:1])c(F)c1
CC(=O)c1ccc(SCC(=O)Nc2ccc(CC(=O)N(C)C)cc2)c(F)c1 CN(C)C(=O)[*:1] CC(=O)c1ccc(SCC(=O)Nc2ccc(cc2)C[*:1])c(F)c1
C[C@H](OC(=O)Cc1ccc(NC(=O)C2CC2)cc1)[C@H]1CCOC1 O=C(N[*:1])C1CC1 C[C@H](OC(=O)Cc1ccc(cc1)[*:1])[C@H]1CCOC1
C[C@H](OC(=O)Cc1ccc(NC(=O)C2CC2)cc1)[C@H]1CCOC1 C1CC1[*:1] C[C@H](OC(=O)Cc1ccc(cc1)NC(=O)[*:1])[C@H]1CCOC1
O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(=O)c2ccccc2o1 FC(F)(F)C[*:1] O=C(NCc1ccc(cc1)CO[*:1])c1cc(=O)c2ccccc2o1
O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(=O)c2ccccc2o1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)COC[*:1])c1cc(=O)c2ccccc2o1
O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(=O)c2ccccc2o1 FC(F)(F)COC[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc(=O)c2ccccc2o1
O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(=O)c2ccccc2o1 FC(F)(F)CO[*:1] O=C(NCc1ccc(cc1)C[*:1])c1cc(=O)c2ccccc2o1
Cc1nc(N[C@@H](C)c2cccnc2)c2c3c(sc2n1)CCC3 c1cncc(c1)[*:1] Cc1nc(N[C@@H](C)[*:1])c2c3CCCc3sc2n1
COC(CNC(=O)c1c(F)cc(Br)cc1F)OC COC(OC)[*:1] O=C(NC[*:1])c1c(F)cc(Br)cc1F
COC(CNC(=O)c1c(F)cc(Br)cc1F)OC COC(C[*:1])OC O=C(N[*:1])c1c(F)cc(Br)cc1F
CC(=O)NC1CCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)CC1 Fc1ccccc1[*:1] CC(=O)NC1CCN(CC1)C(=O)N[C@H](C1CCCC1)[*:1]
CC(=O)NC1CCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)CC1 C1CCC(C1)[*:1] CC(=O)NC1CCN(CC1)C(=O)N[C@H](c1ccccc1F)[*:1]
CC(=O)NC1CCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)CC1 CC(=O)N[*:1] O=C(N[C@H](c1ccccc1F)C1CCCC1)N1CCC(CC1)[*:1]
O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc12)[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1 c1ccc(cc1)C[*:1] O=C([O-])[C@H](c1c[nH]c2cc(ccc12)O[*:1])[NH+]1CCN(CC1)[C@H]1CCS(=O)(=O)C1
O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc12)[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1 c1ccc(cc1)CO[*:1] O=C([O-])[C@H](c1c[nH]c2cc(ccc12)[*:1])[NH+]1CCN(CC1)[C@H]1CCS(=O)(=O)C1
O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc12)[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1 c1ccc(cc1)[*:1] O=C([O-])[C@H](c1c[nH]c2cc(ccc12)OC[*:1])[NH+]1CCN(CC1)[C@H]1CCS(=O)(=O)C1
CCc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)on1 CCc1cc(on1)[*:1] C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[*:1]
CCc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)on1 Cn1cc(cn1)[*:1] CCc1cc(CNC(=O)[C@H](C)NS(=O)(=O)[*:1])on1
Cc1cnc(N(Cc2cccnc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 c1cncc(c1)[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N(C[C@H]1CCCO1)C[*:1]
Cc1cnc(N(Cc2cccnc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(c(c1)[*:1])N(Cc1cccnc1)C[C@H]1CCCO1
Cc1cnc(N(Cc2cccnc2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 c1cncc(c1)C[*:1] Cc1cnc(c(c1)[N+](=O)[O-])N(C[C@H]1CCCO1)[*:1]
Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(N)c(c1)[*:1]
Cc1nc(CNc2cc(Cl)ccc2-n2cccn2)sc1C c1cnn(c1)[*:1] Cc1nc(CNc2cc(Cl)ccc2[*:1])sc1C
Cc1nc(CNc2cc(Cl)ccc2-n2cccn2)sc1C Cc1nc(sc1C)[*:1] Clc1ccc(c(c1)NC[*:1])-n1cccn1
O=S(=O)(Cc1ccccc1Cl)NCC[NH+]1CCN(c2ccccc2F)CC1 Clc1ccccc1[*:1] O=S(=O)(C[*:1])NCC[NH+]1CCN(CC1)c1ccccc1F
O=S(=O)(Cc1ccccc1Cl)NCC[NH+]1CCN(c2ccccc2F)CC1 Clc1ccccc1C[*:1] O=S(=O)(NCC[NH+]1CCN(CC1)c1ccccc1F)[*:1]
O=S(=O)(Cc1ccccc1Cl)NCC[NH+]1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=S(=O)(Cc1ccccc1Cl)NCC[NH+]1CCN(CC1)[*:1]
Cc1n[nH]c(C)c1NC(=O)CCc1ccc(-c2ccccc2F)o1 Fc1ccccc1[*:1] Cc1n[nH]c(C)c1NC(=O)CCc1ccc(o1)[*:1]
Cc1n[nH]c(C)c1NC(=O)CCc1ccc(-c2ccccc2F)o1 Cc1n[nH]c(C)c1[*:1] O=C(CCc1ccc(o1)-c1ccccc1F)N[*:1]
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCNC1=O O=C([O-])[*:1] O=C1NCCN1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CCOC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1 CCOC(=O)[*:1] Cc1occc1-c1nnc(SC[*:1])n1-c1ccc(F)cc1
CCOC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1 CCOC(=O)CS[*:1] Cc1occc1-c1nnc(n1-c1ccc(F)cc1)[*:1]
CCOC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)CSc1nnc(-c2ccoc2C)n1[*:1]
CCOC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1 Cc1occc1[*:1] CCOC(=O)CSc1nnc(n1-c1ccc(F)cc1)[*:1]
CCOC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1 CCOC(=O)C[*:1] Cc1occc1-c1nnc(S[*:1])n1-c1ccc(F)cc1
COC(=O)CCCc1csc(NC(=O)c2cccn2C)n1 Cn1cccc1[*:1] COC(=O)CCCc1csc(n1)NC(=O)[*:1]
COC(=O)CCCc1csc(NC(=O)c2cccn2C)n1 COC(=O)C[*:1] Cn1cccc1C(=O)Nc1nc(cs1)CC[*:1]
COC(=O)CCCc1csc(NC(=O)c2cccn2C)n1 COC(=O)CC[*:1] Cn1cccc1C(=O)Nc1nc(cs1)C[*:1]
COC(=O)CCCc1csc(NC(=O)c2cccn2C)n1 COC(=O)[*:1] Cn1cccc1C(=O)Nc1nc(cs1)CCC[*:1]
COC(=O)CCCc1csc(NC(=O)c2cccn2C)n1 COC(=O)CCC[*:1] Cn1cccc1C(=O)Nc1nc(cs1)[*:1]
C[C@H](C(=O)NC1CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O C1CC1[*:1] C[C@H](C(=O)N[*:1])N(c1ccc2OCCOc2c1)S(C)(=O)=O
C[C@H](C(=O)NC1CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O O=C(NC1CC1)[*:1] C[C@H](N(c1ccc2OCCOc2c1)S(C)(=O)=O)[*:1]
Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccco4)ccc3o2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc2oc(cc(=O)c2c1)[*:1])c1ccco1
Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccco4)ccc3o2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-c1cc(=O)c2cc(ccc2o1)NC(=O)[*:1]
Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccco4)ccc3o2)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)-c1cc(=O)c2cc(ccc2o1)[*:1]
CC[C@H](C(=O)NCc1cc(-c2ccccc2)on1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)NCc1cc(on1)[*:1])c1ccccc1
CC[C@H](C(=O)NCc1cc(-c2ccccc2)on1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)NCc1cc(on1)-c1ccccc1)[*:1]
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O C[C@@H]1C[C@H]1C(=O)N[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)[*:1]
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O C[C@@H]1C[C@@H]1[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)NC(=O)[*:1]
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(C[*:1])C1=O
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(C1=O)[*:1]
CC(C)CS(=O)(=O)CCC(=O)NCc1nnc2n1CCC2 CC(C)CS(=O)(=O)[*:1] O=C(CC[*:1])NCc1nnc2CCCn21
CC(C)CS(=O)(=O)CCC(=O)NCc1nnc2n1CCC2 CC(C)[*:1] O=C(CCS(=O)(=O)C[*:1])NCc1nnc2CCCn21
CC(C)CS(=O)(=O)CCC(=O)NCc1nnc2n1CCC2 CC(C)C[*:1] O=C(CCS(=O)(=O)[*:1])NCc1nnc2CCCn21
O=C(OC[C@@H]1CC1(Cl)Cl)[C@H]1COc2ccccc2C1 ClC1(Cl)C[C@H]1[*:1] O=C(OC[*:1])[C@H]1COc2ccccc2C1
O=C(OC[C@@H]1CC1(Cl)Cl)[C@H]1COc2ccccc2C1 ClC1(Cl)C[C@H]1C[*:1] O=C(O[*:1])[C@H]1COc2ccccc2C1
CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(Cl)n1 CC[C@@H](C)[*:1] CN(C(=O)c1cc2ccccc2c(Cl)n1)[*:1]
Cc1[nH+]ccn1CCNC(=O)C1CCN(C(=O)NC2CC2)CC1 C1CC1[*:1] Cc1[nH+]ccn1CCNC(=O)C1CCN(CC1)C(=O)N[*:1]
CCCC[C@@H](CC)[C@H]([NH3+])c1ccc2c(c1)C[C@H](C)O2 CCCC[*:1] CC[C@@H]([C@H]([NH3+])c1ccc2O[C@@H](C)Cc2c1)[*:1]
CCCC[C@@H](CC)[C@H]([NH3+])c1ccc2c(c1)C[C@H](C)O2 CCC[*:1] CC[C@H](C[*:1])[C@H]([NH3+])c1ccc2O[C@@H](C)Cc2c1
CC(=O)N1CC(C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 CC(=O)N1CC(C1)[*:1] O=C(Nc1ccccc1C[NH+]1CCCC1)[*:1]
CCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 C1CCC(C1)[*:1] CCC(=O)N1CCC(CC1)Oc1ccc(cc1Cl)C(=O)N[*:1]
CCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 O=C(NC1CCCC1)[*:1] CCC(=O)N1CCC(CC1)Oc1ccc(cc1Cl)[*:1]
Cc1c(NC(=O)C[NH+]2CCC(OCC(C)C)CC2)cccc1[N+](=O)[O-] CC(C)CO[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)C[NH+]1CCC(CC1)[*:1]
Cc1c(NC(=O)C[NH+]2CCC(OCC(C)C)CC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)C[NH+]1CCC(CC1)OCC(C)C
Cc1c(NC(=O)C[NH+]2CCC(OCC(C)C)CC2)cccc1[N+](=O)[O-] CC(C)C[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)C[NH+]1CCC(CC1)O[*:1]
Cc1c(NC(=O)C[NH+]2CCC(OCC(C)C)CC2)cccc1[N+](=O)[O-] CC(C)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)C[NH+]1CCC(CC1)OC[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)[N-]c1ccc(Cl)c(c1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 CCC(=O)N[*:1] O=[N+]([O-])c1cc(ccc1Cl)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
COc1cccc(-c2c(C)nn3c2NC(=O)[C@@H]3CC(=O)Nc2ccc(C)c(Cl)c2)c1 Cc1ccc(cc1Cl)[*:1] COc1cccc(c1)-c1c(C)nn2c1NC(=O)[C@@H]2CC(=O)N[*:1]
COc1cccc(-c2c(C)nn3c2NC(=O)[C@@H]3CC(=O)Nc2ccc(C)c(Cl)c2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)C[C@H]1C(=O)Nc2c(c(C)nn21)[*:1]
CCOCc1cccc(NC(=O)C(=O)N(C)CCC#N)c1 CCO[*:1] CN(CCC#N)C(=O)C(=O)Nc1cccc(c1)C[*:1]
CCOCc1cccc(NC(=O)C(=O)N(C)CCC#N)c1 N#CCC[*:1] CCOCc1cccc(c1)NC(=O)C(=O)N(C)[*:1]
CCOCc1cccc(NC(=O)C(=O)N(C)CCC#N)c1 N#CC[*:1] CCOCc1cccc(c1)NC(=O)C(=O)N(C)C[*:1]
CCOCc1cccc(NC(=O)C(=O)N(C)CCC#N)c1 CCOC[*:1] CN(CCC#N)C(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1noc(C)c1S(=O)(=O)Nc1cnn(CCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)Nc1cnn(c1)CC[*:1]
Cc1noc(C)c1S(=O)(=O)Nc1cnn(CCc2ccccc2)c1 Cc1noc(C)c1[*:1] O=S(=O)(Nc1cnn(c1)CCc1ccccc1)[*:1]
Cc1noc(C)c1S(=O)(=O)Nc1cnn(CCc2ccccc2)c1 c1ccc(cc1)CC[*:1] Cc1noc(C)c1S(=O)(=O)Nc1cnn(c1)[*:1]
Cc1noc(C)c1S(=O)(=O)Nc1cnn(CCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1noc(C)c1S(=O)(=O)Nc1cnn(c1)C[*:1]
CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CCOc1cccc(c1)[C@@H]1Nc2ccccc2C(=O)N1C[*:1]
CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] CCOc1cccc(c1)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1 CCO[*:1] O=C1c2ccccc2N[C@@H](c2cccc(c2)[*:1])N1C[C@H]1CCCO1
Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(F)cn2)c1 Cc1cccc(c1)[*:1] C[C@H]([NH2+]C[C@@H](O)CO[*:1])c1ccc(F)cn1
Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(F)cn2)c1 Fc1ccc(nc1)[*:1] Cc1cccc(c1)OC[C@H](O)C[NH2+][C@@H](C)[*:1]
CCC(CC)C(=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 c1ccc(cc1)[*:1] CCC(CC)C(=O)N1CCN(CC1)Cc1nc(cs1)[*:1]
CCC(CC)C(=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 CCC(CC)[*:1] O=C(N1CCN(CC1)Cc1nc(cs1)-c1ccccc1)[*:1]
CC(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccccc1Sc1ccccc1
CC(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1ccccc1S[*:1]
CC(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 c1ccc(cc1)S[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1ccccc1[*:1]
CC(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccccc1Sc1ccccc1
O[C@@H](CN1CCOCC1)C[NH+]1CCCCCCC1 C1CN(CCO1)[*:1] O[C@H](C[NH+]1CCCCCCC1)C[*:1]
C#CCOc1ccccc1/C=C(\C#N)c1nc2ccccc2s1 C#CC[*:1] N#C/C(=C\c1ccccc1O[*:1])c1nc2ccccc2s1
C#CCOc1ccccc1/C=C(\C#N)c1nc2ccccc2s1 C#CCO[*:1] N#C/C(=C\c1ccccc1[*:1])c1nc2ccccc2s1
Cn1cccc1[C@@H](O)CNC(=O)Cc1ccc(Cl)cc1 Cn1cccc1[*:1] O=C(Cc1ccc(Cl)cc1)NC[C@H](O)[*:1]
C[C@H](CCO)CNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] C[C@H](CCO)CNC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
C[C@H](CCO)CNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 OCC[*:1] C[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C1)C(F)(F)F)[*:1]
C[C@H](CCO)CNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 C[C@H](CCO)[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
C[C@H](CCO)CNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 C[C@H](CCO)C[*:1] O=C(N[C@@H]1CCC[C@@H](C1)C(F)(F)F)N[*:1]
CC(=O)Nc1cc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)ccc1F CC(=O)N[*:1] O=C(COC(=O)c1ccc(F)c(c1)[*:1])N[C@H]1CCCc2ccccc21
CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC1(C)CO[C@@H](CN1Cc1ncn(n1)-c1ccccc1)[*:1]
CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC1(C)CO[C@H](CN1Cc1ncn(n1)[*:1])c1ccccc1
CCn1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C CCn1ncc(c1C)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)[*:1]
CCn1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C O=S(=O)(N1CCCC1)[*:1] CCn1ncc(C(=O)Nc2ccc(cc2)[*:1])c1C
CCCCNC(=O)[C@H]1CCCN([C@@H]2NC3=NC=NC(=O)[C@@H]3S2)C1 CCCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)[C@@H]1NC2=NC=NC(=O)[C@@H]2S1
CCCCNC(=O)[C@H]1CCCN([C@@H]2NC3=NC=NC(=O)[C@@H]3S2)C1 CCC[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)[C@@H]1NC2=NC=NC(=O)[C@@H]2S1
CCCCNC(=O)[C@H]1CCCN([C@@H]2NC3=NC=NC(=O)[C@@H]3S2)C1 CCCCNC(=O)[*:1] O=C1N=CN=C2N[C@H](S[C@@H]12)N1CCC[C@@H](C1)[*:1]
CCCC[C@@H](C)NC(=O)CC[C@H](C)O C[C@H](O)[*:1] CCCC[C@@H](C)NC(=O)CC[*:1]
CCCC[C@@H](C)NC(=O)CC[C@H](C)O CCCC[*:1] C[C@H](O)CCC(=O)N[C@H](C)[*:1]
CCCC[C@@H](C)NC(=O)CC[C@H](C)O C[C@H](O)C[*:1] CCCC[C@@H](C)NC(=O)C[*:1]
CCCC[C@@H](C)NC(=O)CC[C@H](C)O CCC[*:1] C[C@H](O)CCC(=O)N[C@H](C)C[*:1]
C[C@H](c1ccccc1)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C O=S(=O)(N1CCCCC1)[*:1] C[C@H](c1ccccc1)N(C)C(=O)CCc1nc2cc(ccc2n1C)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)CCc1nc2cc(ccc2n1C)S(=O)(=O)N1CCCCC1)[*:1]
CCOc1cccc(CNC=C(C#N)C#N)c1 CCO[*:1] N#CC(C#N)=CNCc1cccc(c1)[*:1]
O=C(CCc1ccccc1)NN1C(=O)[C@H]2CCCC[C@@H]2C1=O c1ccc(cc1)[*:1] O=C(CC[*:1])NN1C(=O)[C@H]2CCCC[C@@H]2C1=O
O=C(CCc1ccccc1)NN1C(=O)[C@H]2CCCC[C@@H]2C1=O c1ccc(cc1)C[*:1] O=C(C[*:1])NN1C(=O)[C@H]2CCCC[C@@H]2C1=O
COc1cc(C(N)=O)ccc1Oc1ncnc(OC)c1N NC(=O)[*:1] COc1cc(ccc1Oc1ncnc(OC)c1N)[*:1]
CCn1nc(C(=O)NC)c2c1CC[C@@H]([NH2+]CC1([NH+]3CCCCC3)CCCCC1)C2 CNC(=O)[*:1] CCn1nc(c2C[C@@H](CCc21)[NH2+]CC1(CCCCC1)[NH+]1CCCCC1)[*:1]
CC(C)[C@H](C(=O)NCc1cc[nH+]c(N(C)C)c1)c1ccccc1 CC(C)[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)[C@H](c1ccccc1)[*:1]
CC(C)[C@H](C(=O)NCc1cc[nH+]c(N(C)C)c1)c1ccccc1 CN(C)[*:1] CC(C)[C@H](C(=O)NCc1cc[nH+]c(c1)[*:1])c1ccccc1
CC(C)[C@H](C(=O)NCc1cc[nH+]c(N(C)C)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C(=O)NCc1cc[nH+]c(c1)N(C)C)[*:1]
COc1ccc(-c2nnc3n2C(=O)C[C@@H](c2ccccc2)S3)cc1 COc1ccc(cc1)[*:1] O=C1C[C@H](Sc2nnc(n21)[*:1])c1ccccc1
COc1ccc(-c2nnc3n2C(=O)C[C@@H](c2ccccc2)S3)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nnc2S[C@H](CC(=O)n21)[*:1]
C/C(=N/N=C(\C)c1ccco1)c1ccco1 c1coc(c1)[*:1] C/C(=N/N=C(C)[*:1])c1ccco1
C[C@H](NC(=O)c1ccc(N)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)c1ccc(N)cc1)[*:1]
CN1C(=O)/C(=C2/C(=O)N(CC(=O)[O-])c3ccccc32)S/C1=N\c1cccc(C(=O)[O-])c1 O=C([O-])[*:1] CN1C(=O)/C(S/C1=N\c1cccc(c1)C(=O)[O-])=C1/C(=O)N(C[*:1])c2ccccc21
CN1C(=O)/C(=C2/C(=O)N(CC(=O)[O-])c3ccccc32)S/C1=N\c1cccc(C(=O)[O-])c1 O=C([O-])C[*:1] CN1C(=O)/C(S/C1=N\c1cccc(c1)C(=O)[O-])=C1/C(=O)N(c2ccccc21)[*:1]
CN1C(=O)/C(=C2/C(=O)N(CC(=O)[O-])c3ccccc32)S/C1=N\c1cccc(C(=O)[O-])c1 O=C([O-])c1cccc(c1)[*:1] CN1C(=O)/C(SC1=N[*:1])=C1/C(=O)N(CC(=O)[O-])c2ccccc21
CN1C(=O)/C(=C2/C(=O)N(CC(=O)[O-])c3ccccc32)S/C1=N\c1cccc(C(=O)[O-])c1 O=C([O-])[*:1] CN1C(=O)/C(S/C1=N\c1cccc(c1)[*:1])=C1/C(=O)N(CC(=O)[O-])c2ccccc21
CC1(C)CN(C(=O)c2ccc(SC(F)F)cc2)CC[S@]1=O FC(F)[*:1] CC1(C)CN(CC[S@]1=O)C(=O)c1ccc(cc1)S[*:1]
CC1(C)CN(C(=O)c2ccc(SC(F)F)cc2)CC[S@]1=O FC(F)S[*:1] CC1(C)CN(CC[S@]1=O)C(=O)c1ccc(cc1)[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)N(C)C[C@H](C)c1ccccc1 CC(C)[*:1] Cc1cc(ccc1NC(=O)C(=O)N(C)C[C@H](C)c1ccccc1)C(=O)N[*:1]
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)N(C)C[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)C(=O)N(C)C[C@H](C)[*:1])C(=O)NC(C)C
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)N(C)C[C@H](C)c1ccccc1 CC(C)NC(=O)[*:1] Cc1cc(ccc1NC(=O)C(=O)N(C)C[C@H](C)c1ccccc1)[*:1]
COCC/N=C(\N)SCc1cc(=O)n2ccsc2n1 COC[*:1] N/C(=N\C[*:1])SCc1cc(=O)n2ccsc2n1
COCC/N=C(\N)SCc1cc(=O)n2ccsc2n1 COCC[*:1] NC(=N[*:1])SCc1cc(=O)n2ccsc2n1
CO[C@@H](Cn1cc(-c2nc(C)n3ccccc23)nn1)c1cccs1 c1csc(c1)[*:1] CO[C@@H](Cn1cc(nn1)-c1nc(C)n2ccccc12)[*:1]
CC1=C(C(=O)Nc2cc(C(=O)NCc3ccccc3Cl)ccc2C)SCCO1 Clc1ccccc1C[*:1] CC1OCCSC=1C(=O)Nc1cc(ccc1C)C(=O)N[*:1]
CC1=C(C(=O)Nc2cc(C(=O)NCc3ccccc3Cl)ccc2C)SCCO1 Clc1ccccc1[*:1] CC1OCCSC=1C(=O)Nc1cc(ccc1C)C(=O)NC[*:1]
O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCC1 O=[N+]([O-])[*:1] O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1[*:1])N1CCCC1
O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCC1 O=C(N1CCCC1)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1[*:1]
C#CC[C@@H](C)OC(=O)Cc1cccc(C)c1 C#CC[*:1] Cc1cccc(c1)CC(=O)O[C@H](C)[*:1]
CC[NH+]1CCN(CC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)CC1 C1CCC(C1)[*:1] CC[NH+]1CCN(CC1)CC(=O)Nc1ccc(cc1C)C(=O)N[*:1]
CC[NH+]1CCN(CC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)CC1 O=C(NC1CCCC1)[*:1] CC[NH+]1CCN(CC1)CC(=O)Nc1ccc(cc1C)[*:1]
COc1ccc(CNC(=O)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 COc1ccc(cc1)C[*:1] Cc1nn(c(C)c1CC(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(CNC(=O)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)NC[*:1])[C@@H]1CCS(=O)(=O)C1
COC[C@@H](C)N(C)[C@]1(C[NH3+])CCCc2ccc(OC)cc21 COC[C@@H](C)N(C)[*:1] COc1ccc2CCC[C@@](C[NH3+])(c2c1)[*:1]
COC[C@@H](C)N(C)[C@]1(C[NH3+])CCCc2ccc(OC)cc21 COC[*:1] COc1ccc2CCC[C@](C[NH3+])(c2c1)N(C)[C@H](C)[*:1]
COC[C@@H](C)N(C)[C@]1(C[NH3+])CCCc2ccc(OC)cc21 COC[C@@H](C)[*:1] COc1ccc2CCC[C@](C[NH3+])(c2c1)N(C)[*:1]
Cc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)n(C)n1 O=C([O-])C[*:1] Cc1cc(C(=O)N2CCO[C@H](C2)[*:1])n(C)n1
Cc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)n(C)n1 O=C([O-])[*:1] Cc1cc(C(=O)N2CCO[C@@H](C2)C[*:1])n(C)n1
CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCC[NH2+]1 CC(C)(C)[*:1] O=C(NC(=O)[C@@H]1CCCC[NH2+]1)O[*:1]
CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 CS(=O)(=O)N[*:1] O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)C1CCCC1)c1nnc2n1CCC2 C1CCC(C1)[*:1] C[C@@H](NC(=O)[*:1])c1nnc2CCCn21
CNC(=O)c1ccccc1NC(=O)c1ccccc1Br CNC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccccc1Br
Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1CCCN1C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)N1CCC[C@H]1[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)CCn1cnc2ccccc2c1=O COC(=O)[*:1] O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CCCCC[C@@H]1[*:1]
Cc1noc(C)c1C(=O)OCCNc1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] Cc1noc(C)c1C(=O)OCCNc1ccc(cn1)[*:1]
Cc1noc(C)c1C(=O)OCCNc1ccc(C(F)(F)F)cn1 Cc1noc(C)c1[*:1] O=C(OCCNc1ccc(cn1)C(F)(F)F)[*:1]
CS[C@H](C)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CS[C@H](C)c1cccc(c1)NC(=O)[C@H](C)NS(=O)(=O)[*:1]
CS[C@H](C)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c1 CS[C@H](C)[*:1] C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(c1)[*:1]
O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(/C=C/c1ccc(cc1)S(=O)(=O)N1CCCCCC1)N[*:1]
O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCc1cccs1 c1csc(c1)[*:1] O=C(/C=C/c1ccc(cc1)S(=O)(=O)N1CCCCCC1)NCC[*:1]
O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCc1cccs1 c1csc(c1)C[*:1] O=C(/C=C/c1ccc(cc1)S(=O)(=O)N1CCCCCC1)NC[*:1]
Cc1c(C(=O)Oc2ccc(C#N)cc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Oc1ccc(C#N)cc1
C[C@H]1CN(C(=S)Nc2ccc3c(c2)OCCO3)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])C(=S)Nc1ccc2OCCOc2c1
COc1ccc2c(ccc[n+]2Cc2ccc(C(C)C)cc2)c1 CC(C)[*:1] COc1ccc2c(ccc[n+]2Cc2ccc(cc2)[*:1])c1
O=C(Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)NC(=O)[*:1]
O=C(Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(NCc1ccccc1)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
O=C(Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c1)c1ccccc1 O=C(NCc1ccccc1)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCC[C@@H](C1)[*:1])c1ccccc1
O=C(Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1])c1ccccc1
O=C(Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1])c1ccccc1
C[NH+](CCC1CCCCC1)Cc1nnc(-c2ccc(C#N)cc2)o1 C1CCC(CC1)[*:1] C[NH+](CC[*:1])Cc1nnc(o1)-c1ccc(C#N)cc1
C[NH+](CCC1CCCCC1)Cc1nnc(-c2ccc(C#N)cc2)o1 C1CCC(CC1)C[*:1] C[NH+](Cc1nnc(o1)-c1ccc(C#N)cc1)C[*:1]
C[NH+](CCC1CCCCC1)Cc1nnc(-c2ccc(C#N)cc2)o1 C1CCC(CC1)CC[*:1] C[NH+](Cc1nnc(o1)-c1ccc(C#N)cc1)[*:1]
C[NH+](CCC1CCCCC1)Cc1nnc(-c2ccc(C#N)cc2)o1 N#Cc1ccc(cc1)[*:1] C[NH+](CCC1CCCCC1)Cc1nnc(o1)[*:1]
Cc1cc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c(C)n1CC1CC1 c1cncc(c1)[*:1] Cc1cc(C(=O)N2CC[C@@H](C2)O[*:1])c(C)n1CC1CC1
Cc1cc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c(C)n1CC1CC1 C1CC1[*:1] Cc1cc(C(=O)N2CC[C@@H](C2)Oc2cccnc2)c(C)n1C[*:1]
Cc1cc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c(C)n1CC1CC1 c1cncc(c1)O[*:1] Cc1cc(C(=O)N2CC[C@H](C2)[*:1])c(C)n1CC1CC1
Cc1cc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c(C)n1CC1CC1 C1CC1C[*:1] Cc1cc(C(=O)N2CC[C@@H](C2)Oc2cccnc2)c(C)n1[*:1]
CCN1C[C@H](C(=O)N2CCN(c3ncnc(C)c3C)CC2)CCC1=O Cc1ncnc(c1C)[*:1] CCN1C[C@@H](CCC1=O)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)s1 C1CN(CCO1)C[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)s1 Cc1ccc(s1)[*:1] O=C(CN1CCOCC1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)s1 C1CN(CCO1)[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1ccccc1[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)CCO1 CC(C)(C)n1nccc1[*:1] Cc1ccccc1[C@@H]1CN(CCO1)C(=O)C(=O)N[*:1]
Cc1ccccc1[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)CCO1 CC(C)(C)[*:1] Cc1ccccc1[C@@H]1CN(CCO1)C(=O)C(=O)Nc1ccnn1[*:1]
Cc1ccccc1[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)CCO1 Cc1ccccc1[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N1CCO[C@@H](C1)[*:1]
Cc1cc(C(=O)N(C)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] Clc1cccc(c1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N(C)C[*:1]
Cc1cc(C(=O)N(C)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)N(C)Cc1cccc(Cl)c1
O=C([O-])COc1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 O=C([O-])C[*:1] O=C1S/C(=C\c2ccc(cc2)O[*:1])C(=O)N1Cc1cc2OCOc2cc1Cl
O=C([O-])COc1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 O=C([O-])[*:1] O=C1S/C(=C\c2ccc(cc2)OC[*:1])C(=O)N1Cc1cc2OCOc2cc1Cl
O=C([O-])COc1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 Clc1cc2OCOc2cc1[*:1] O=C([O-])COc1ccc(/C=C2\SC(=O)N(C[*:1])C2=O)cc1
O=C([O-])COc1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 O=C([O-])CO[*:1] O=C1S/C(=C\c2ccc(cc2)[*:1])C(=O)N1Cc1cc2OCOc2cc1Cl
CC(=O)Nc1ccc(CC(=O)NNc2cccc(C)c2)cc1 CC(=O)N[*:1] Cc1cccc(c1)NNC(=O)Cc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(CC(=O)NNc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)NN[*:1]
N[C@H](c1cccc(Oc2ccc(Cl)cc2)c1)C(F)(F)F FC(F)(F)[*:1] N[C@H](c1cccc(c1)Oc1ccc(Cl)cc1)[*:1]
N[C@H](c1cccc(Oc2ccc(Cl)cc2)c1)C(F)(F)F N[C@H](C(F)(F)F)[*:1] Clc1ccc(cc1)Oc1cccc(c1)[*:1]
COC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C)c1C COC[*:1] Cc1cccc(NC(=O)C(=O)NC[C@](C)(O)[*:1])c1C
Nc1nc(Cl)cc(Sc2nnnn2C2CCCCC2)n1 C1CCC(CC1)[*:1] Nc1nc(Cl)cc(n1)Sc1nnnn1[*:1]
CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ncc(C)s2)C1 Cc1cnc(s1)[*:1] CC[C@@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)CCNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H]1Cc2ccccc2N1C(=O)CCNC(=O)[*:1]
Cc1cc(C(=O)CCC(=O)N2CCN(c3cnccn3)CC2)c(C)s1 c1cnc(cn1)[*:1] Cc1cc(C(=O)CCC(=O)N2CCN(CC2)[*:1])c(C)s1
Cc1cc(C(=O)CCC(=O)N2CCN(c3cnccn3)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=C(CCC(=O)[*:1])N1CCN(CC1)c1cnccn1
CC[C@@H]1CCCCN1c1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H]1CCCCN1c1ncnc(Sc2cccc3cccnc23)c1[*:1]
CCC(CC)C(=O)Nc1ccccc1[C@H](C)CC CC[C@@H](C)[*:1] CCC(CC)C(=O)Nc1ccccc1[*:1]
CCC(CC)C(=O)Nc1ccccc1[C@H](C)CC CCC(CC)[*:1] CC[C@@H](C)c1ccccc1NC(=O)[*:1]
C[C@@H]1CN(C(=O)NCCSCC(C)(C)O)C[C@@H](C)O1 CC(C)(O)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)NCCSC[*:1]
C[C@@H]1CN(C(=O)NCCSCC(C)(C)O)C[C@@H](C)O1 CC(C)(O)CS[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)NCC[*:1]
C[C@@H]1CN(C(=O)NCCSCC(C)(C)O)C[C@@H](C)O1 CC(C)(O)C[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)NCCS[*:1]
CCNC(=O)C1CCN(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)CC1 Fc1ccc(cc1)C[*:1] CCNC(=O)C1CCN(CC1)C(=O)N[C@@H](C(C)C)[*:1]
CCNC(=O)C1CCN(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)CC1 Fc1ccc(cc1)[*:1] CCNC(=O)C1CCN(CC1)C(=O)N[C@@H](C[*:1])C(C)C
CCNC(=O)C1CCN(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)CC1 CC(C)[*:1] CCNC(=O)C1CCN(CC1)C(=O)N[C@@H](Cc1ccc(F)cc1)[*:1]
CCNC(=O)C1CCN(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)CC1 CCNC(=O)[*:1] CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC(CC1)[*:1]
CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1 CC[C@H](C)NC(=O)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1csc([C@@H]2CCCCN2[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)n1 c1ccc(cc1)N[*:1] Cc1csc(n1)[C@@H]1CCCCN1[C@@H](C)c1nc(N)nc(n1)[*:1]
Cc1csc([C@@H]2CCCCN2[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@@H]1CCCCN1[C@@H](C)c1nc(N)nc(n1)N[*:1]
Cc1csc([C@@H]2CCCCN2[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)n1 Cc1csc(n1)[*:1] C[C@@H](c1nc(N)nc(n1)Nc1ccccc1)N1CCCC[C@H]1[*:1]
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)CS(=O)(=O)C2CCCC2)C[C@H](C)O1 C1CCC(C1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(C)(C)CNC(=O)CS(=O)(=O)[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)CS(=O)(=O)C2CCCC2)C[C@H](C)O1 O=S(=O)(C1CCCC1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(C)(C)CNC(=O)C[*:1]
COc1ccccc1C(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)CC[*:1] COc1ccccc1C(=O)N(Cc1ccccc1)[*:1]
COc1ccccc1C(=O)N(CCc1ccccc1)Cc1ccccc1 COc1ccccc1[*:1] O=C(N(CCc1ccccc1)Cc1ccccc1)[*:1]
COc1ccccc1C(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccccc1C(=O)N(CCc1ccccc1)[*:1]
COc1ccccc1C(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1C(=O)N(CCc1ccccc1)C[*:1]
COc1ccccc1C(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1C(=O)N(CC[*:1])Cc1ccccc1
COc1ccccc1C(=O)N(CCc1ccccc1)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccccc1C(=O)N(Cc1ccccc1)C[*:1]
C[C@@H](Cc1cccs1)N(C)CCC1([NH3+])CCC1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)CCC1([NH3+])CCC1
COc1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC(C)(C)OC3 COc1ccccc1[*:1] CC1(C)Cc2c(CO1)sc1nnn(CC(=O)N[*:1])c(=O)c21
O=C(NCC1CCN(c2nc3ccccc3o2)CC1)c1ccc2ccccc2c1 c1ccc2oc(nc2c1)[*:1] O=C(NCC1CCN(CC1)[*:1])c1ccc2ccccc2c1
CCS(=O)(=O)c1cccc(C(=O)/N=c2/sc3cc(Cl)cc(C)c3n2C)c1 CCS(=O)(=O)[*:1] Cc1cc(Cl)cc2s/c(=N/C(=O)c3cccc(c3)[*:1])n(C)c12
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C)CC2)cc1 C=CC[*:1] C[C@H]1CCCN(CC1)C(=O)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C)CC2)cc1 C=CCNC(=O)[*:1] C[C@H]1CCCN(CC1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
O=C1NCCCC[C@@H]1N(Cc1ccc(OCc2ccccn2)cc1)C(=O)c1cccc(F)c1 c1ccc(C[*:1])nc1 O=C1NCCCC[C@@H]1N(Cc1ccc(cc1)O[*:1])C(=O)c1cccc(F)c1
O=C1NCCCC[C@@H]1N(Cc1ccc(OCc2ccccn2)cc1)C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C1NCCCC[C@@H]1N(Cc1ccc(cc1)OCc1ccccn1)C(=O)[*:1]
O=C1NCCCC[C@@H]1N(Cc1ccc(OCc2ccccn2)cc1)C(=O)c1cccc(F)c1 c1ccc(nc1)[*:1] O=C1NCCCC[C@@H]1N(Cc1ccc(cc1)OC[*:1])C(=O)c1cccc(F)c1
O=C1NCCCC[C@@H]1N(Cc1ccc(OCc2ccccn2)cc1)C(=O)c1cccc(F)c1 c1ccc(CO[*:1])nc1 O=C1NCCCC[C@@H]1N(Cc1ccc(cc1)[*:1])C(=O)c1cccc(F)c1
O=C(COCc1ccccc1)NNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 c1ccc(cc1)C[*:1] O=C(CO[*:1])NNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1
O=C(COCc1ccccc1)NNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(COCc1ccccc1)NNC(=O)[C@H]1C[C@@H]1[*:1]
O=C(COCc1ccccc1)NNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(COC[*:1])NNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1
O=C(COCc1ccccc1)NNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 c1ccc(cc1)CO[*:1] O=C(C[*:1])NNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1
COc1ccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CNc1nc2c(nnn2c2ccccc12)S(=O)(=O)[*:1]
COc1ccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1OC O=S(=O)(c1ccccc1)[*:1] COc1ccc(cc1OC)CNc1nc2c(nnn2c2ccccc12)[*:1]
COc1ccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1OC COc1ccc(cc1OC)[*:1] O=S(=O)(c1ccccc1)c1nnn2c1nc(NC[*:1])c1ccccc12
COc1ccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1OC COc1ccc(cc1OC)C[*:1] O=S(=O)(c1ccccc1)c1nnn2c1nc(N[*:1])c1ccccc12
Cc1ccc(-c2ncco2)cc1NC(=O)c1cccc(Br)c1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)c1cccc(Br)c1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])-c1ncco1
C[C@H]1C[C@H](C)CCN1C(=O)CSCc1ccccn1 c1ccc(nc1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)CSC[*:1]
O=C(NCc1ccnc(-n2ccnc2)c1)N1C[C@@H]2CC=CC[C@H]2C1 c1cn(cn1)[*:1] O=C(NCc1ccnc(c1)[*:1])N1C[C@@H]2CC=CC[C@H]2C1
Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1cccc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1cccc(c1)[*:1]
COCCn1c(SCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O Fc1ccc(cc1)[*:1] COCCn1c(nc2scc(c2c1=O)[*:1])SCC#N
COCCn1c(SCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O COC[*:1] N#CCSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1C[*:1]
COCCn1c(SCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O N#CCS[*:1] COCCn1c(nc2scc(-c3ccc(F)cc3)c2c1=O)[*:1]
COCCn1c(SCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O N#CC[*:1] COCCn1c(nc2scc(-c3ccc(F)cc3)c2c1=O)S[*:1]
COCCn1c(SCC#N)nc2scc(-c3ccc(F)cc3)c2c1=O COCC[*:1] N#CCSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1[*:1]
CCC[NH2+][C@H](c1cnn(CC)c1)C(C)(C)OC CCC[*:1] CCn1cc(cn1)[C@@H]([NH2+][*:1])C(C)(C)OC
CCC[NH2+][C@H](c1cnn(CC)c1)C(C)(C)OC COC(C)(C)[*:1] CCC[NH2+][C@H](c1cnn(c1)CC)[*:1]
CCCCCC[C@H](O)C1(C[NH3+])CCC(C)(C)CC1 CCC[*:1] CC1(C)CCC(C[NH3+])(CC1)[C@@H](O)CCC[*:1]
CCCCCC[C@H](O)C1(C[NH3+])CCC(C)(C)CC1 CCCCCC[*:1] CC1(C)CCC(C[NH3+])(CC1)[C@@H](O)[*:1]
CCCCCC[C@H](O)C1(C[NH3+])CCC(C)(C)CC1 CCCC[*:1] CC1(C)CCC(C[NH3+])(CC1)[C@@H](O)CC[*:1]
CCCCCC[C@H](O)C1(C[NH3+])CCC(C)(C)CC1 CCCCC[*:1] CC1(C)CCC(C[NH3+])(CC1)[C@@H](O)C[*:1]
CC(C)Cn1c([C@@H]2CCO[C@@H]2C)nc2cc(C[NH3+])ccc21 CC(C)[*:1] C[C@H]1OCC[C@H]1c1nc2cc(ccc2n1C[*:1])C[NH3+]
CC(C)Cn1c([C@@H]2CCO[C@@H]2C)nc2cc(C[NH3+])ccc21 CC(C)C[*:1] C[C@H]1OCC[C@H]1c1nc2cc(ccc2n1[*:1])C[NH3+]
O=S(=O)(C[C@H](Br)C(F)(F)F)c1cccc(F)c1 FC(F)(F)[*:1] O=S(=O)(C[C@H](Br)[*:1])c1cccc(F)c1
C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 C[C@H](c1ccc(Cl)c(Cl)c1)[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)[*:1]
C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 c1coc(c1)[*:1] C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1])c1ccc(Cl)c(Cl)c1
O=C(NCCCNC(=O)c1nc2ccccc2s1)c1ccccn1 c1ccc(nc1)[*:1] O=C(NCCCNC(=O)[*:1])c1nc2ccccc2s1
Cc1cc([C@@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)on1 Cc1cc(on1)[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCC[C@H]1[*:1]
Cc1cc([C@@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)on1 FC(F)(F)[*:1] Cc1cc(on1)[C@@H]1CCCN1C(=O)c1cccc(c1)[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)CCSC)C1 CSCC[C@H](C)[*:1] CCOC[C@H]1CCCN(C1)C(=O)N[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)CCSC)C1 CSCC[*:1] CCOC[C@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)CCSC)C1 CCO[*:1] CSCC[C@H](C)NC(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)CCSC)C1 CCOC[*:1] CSCC[C@H](C)NC(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)N[C@@H](C)CCSC)C1 CSC[*:1] CCOC[C@H]1CCCN(C1)C(=O)N[C@@H](C)C[*:1]
O=C1CCc2ccccc2N1Cc1noc([C@@H]2CCCO2)n1 C1CO[C@@H](C1)[*:1] O=C1CCc2ccccc2N1Cc1noc(n1)[*:1]
C[C@H]1CCOCCN1C(=O)NCCSC(C)(C)C CC(C)(C)S[*:1] C[C@H]1CCOCCN1C(=O)NCC[*:1]
C[C@H]1CCOCCN1C(=O)NCCSC(C)(C)C CC(C)(C)[*:1] C[C@H]1CCOCCN1C(=O)NCCS[*:1]
C[C@H]1CCOCCN1C(=O)NCCSC(C)(C)C CC(C)(C)SC[*:1] C[C@H]1CCOCCN1C(=O)NC[*:1]
Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)c(C)c1 Fc1cccc(c1)C[*:1] Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(c3ccccc32)[*:1])c(C)c1
Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C1N(Cc2cccc(F)c2)c2ccccc2[C@@]1(O)CC(=O)[*:1]
Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)c(C)c1 Fc1cccc(c1)[*:1] Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(C[*:1])c3ccccc32)c(C)c1
O=C(NCc1cc(=O)[nH]c2ccccc12)c1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)c1cc(F)ccc1[*:1]
Cc1ccc(-c2nnc(SCc3ccccc3Br)n2N)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCc1ccccc1Br
Cc1ccc(-c2nnc(SCc3ccccc3Br)n2N)cc1 Brc1ccccc1[*:1] Cc1ccc(cc1)-c1nnc(SC[*:1])n1N
CCOC(=O)C1(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)CCCCC1 CCOC(=O)[*:1] O=C(NC1(CCCCC1)[*:1])c1ccc([nH]c1=O)-c1ccccc1
CCOC(=O)C1(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)CCCCC1 c1ccc(cc1)[*:1] CCOC(=O)C1(CCCCC1)NC(=O)c1ccc([nH]c1=O)[*:1]
COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1cccc(F)c1 c1ccc(cc1)[*:1] COC(=O)C1=C(C)N(C(=O)C[C@H]1C(=O)Nc1cccc(F)c1)[*:1]
COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] COC(=O)C1=C(C)N(C(=O)C[C@H]1C(=O)N[*:1])c1ccccc1
COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1cccc(F)c1 COC(=O)[*:1] CC1=C([C@@H](CC(=O)N1c1ccccc1)C(=O)Nc1cccc(F)c1)[*:1]
COC(=O)[C@]1(N)CCC[C@@H]1CCOc1cccc(CO)c1 COC(=O)[*:1] N[C@@]1(CCC[C@@H]1CCOc1cccc(c1)CO)[*:1]
COc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-c1csc(n1)-c1cccn1CC(=O)N[*:1]
COc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)Cn1cccc1-c1nc(cs1)[*:1]
CCOC(=O)c1ccc(CNC(=O)c2ncoc2CC)o1 CCc1ocnc1[*:1] CCOC(=O)c1ccc(CNC(=O)[*:1])o1
CCOC(=O)c1ccc(CNC(=O)c2ncoc2CC)o1 CCOC(=O)[*:1] CCc1ocnc1C(=O)NCc1ccc(o1)[*:1]
Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccccc3O)[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)Nc2ccccc2O)[C@@H]1[*:1]
Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccccc3O)[C@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1O)[C@H]1CC(=O)N([C@@H]1c1cccs1)[*:1]
Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccccc3O)[C@H]2c2cccs2)cc1 Oc1ccccc1[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)N[*:1])[C@H]1c1cccs1
CCS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(Cl)cc3s2)c1 Clc1ccc2nc(sc2c1)[*:1] CCS(=O)(=O)c1cccc(c1)C(=O)N(C[C@@H]1CCCO1)[*:1]
CCS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(Cl)cc3s2)c1 CCS(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N(C[C@@H]1CCCO1)c1nc2ccc(Cl)cc2s1
C[C@@H]1CCCN(C(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)C1 O=C([O-])[*:1] C[C@@H]1CCCN(C1)C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCC1CC1 C1CC1[*:1] O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NC[*:1]
O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCC1CC1 C1CC1C[*:1] O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[*:1]
NC(=O)Nc1ccc(-c2nc(-c3cc4ccccc4o3)no2)cc1 NC(=O)N[*:1] c1ccc2oc(cc2c1)-c1noc(n1)-c1ccc(cc1)[*:1]
COCc1nc2cc(-c3ccc(Cl)cc3Cl)sc2c(=O)[nH]1 COC[*:1] O=c1[nH]c(nc2cc(sc12)-c1ccc(Cl)cc1Cl)[*:1]
Cc1ccccc1-c1ccc(N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)nn1 O=c1oc2ccccc2n1[*:1] Cc1ccccc1-c1ccc(nn1)N1CCN(CC1)C(=O)C[*:1]
Cc1ccccc1-c1ccc(N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)nn1 Cc1ccccc1[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](C[*:1])c1ccccc1
Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 CS(=O)(=O)C[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](c1ccccc1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](CS(C)(=O)=O)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)[*:1]
Cc1cccc(C(=O)NCC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)CNC(=O)[*:1])N1CC[NH+](C)CC1
Fc1cccc(OC(F)F)c1CN[C@H]1CCOc2c(F)cccc21 FC(F)O[*:1] Fc1cccc(c1CN[C@H]1CCOc2c(F)cccc21)[*:1]
Fc1cccc(OC(F)F)c1CN[C@H]1CCOc2c(F)cccc21 FC(F)[*:1] Fc1cccc(O[*:1])c1CN[C@H]1CCOc2c(F)cccc21
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccc(Cl)c2)nc1C CC(=O)[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(c2nc(C)c(s2)[*:1])[C@@H]1c1cccc(Cl)c1
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccc(Cl)c2)nc1C CC(=O)c1sc(nc1C)[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccc(Cl)c1)[*:1]
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccc(Cl)c2)nc1C Clc1cccc(c1)[*:1] CC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2sc(C)nc2C)[C@@H]1[*:1]
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccc(Cl)c2)nc1C Cc1nc(C)c(s1)[*:1] CC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccc(Cl)c1
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccc(Cl)c2)nc1C Cc1nc(C)c(s1)C(=O)[*:1] CC(=O)c1sc(nc1C)N1C(=O)C([O-])=C([C@H]1c1cccc(Cl)c1)[*:1]
CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 CC(C)C[*:1] CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N([C@H]1c1cccs1)[*:1]
CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 CC(C)[*:1] CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(C[*:1])[C@H]1c1cccs1
CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 c1csc(c1)[*:1] CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1[*:1]
CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 CCN(CC)C(=O)[*:1] CC(C)CN1C(=O)c2ccccc2[C@H]([C@@H]1c1cccs1)[*:1]
CC(C)OCCC(=O)N[C@H]1CCCC[C@@H]1C CC(C)O[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CC[*:1]
CC(C)OCCC(=O)N[C@H]1CCCC[C@@H]1C CC(C)OC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C[*:1]
CC(C)OCCC(=O)N[C@H]1CCCC[C@@H]1C CC(C)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)CCO[*:1]
Cc1cc(C)c(NC(=O)C[NH+](CC(F)(F)F)C(C)C)c(C)c1 FC(F)(F)[*:1] Cc1cc(C)c(NC(=O)C[NH+](C[*:1])C(C)C)c(C)c1
Cc1cc(C)c(NC(=O)C[NH+](CC(F)(F)F)C(C)C)c(C)c1 CC(C)[*:1] Cc1cc(C)c(NC(=O)C[NH+](CC(F)(F)F)[*:1])c(C)c1
O=C([C@H]1Cc2ccccc2O1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 O=S1(=O)CC[C@H](C1)[*:1] O=C([C@H]1Cc2ccccc2O1)N1CCN(CC1)[*:1]
CCn1cc([C@H]2C[C@H](C(=O)NCc3ccco3)N(C)S(=O)(=O)N2)c(C)n1 CCn1cc(c(C)n1)[*:1] CN1[C@H](C[C@@H](NS1(=O)=O)[*:1])C(=O)NCc1ccco1
CCn1cc([C@H]2C[C@H](C(=O)NCc3ccco3)N(C)S(=O)(=O)N2)c(C)n1 c1coc(c1)[*:1] CCn1cc(c(C)n1)[C@H]1C[C@H](C(=O)NC[*:1])N(C)S(=O)(=O)N1
CCn1cc([C@H]2C[C@H](C(=O)NCc3ccco3)N(C)S(=O)(=O)N2)c(C)n1 c1coc(c1)C[*:1] CCn1cc(c(C)n1)[C@H]1C[C@H](C(=O)N[*:1])N(C)S(=O)(=O)N1
O=C(Nc1ccc(-c2ccc3nnc(-c4ccccn4)n3n2)cc1)c1ccc2ccccc2n1 c1ccc(nc1)[*:1] O=C(Nc1ccc(cc1)-c1ccc2nnc(n2n1)[*:1])c1ccc2ccccc2n1
O=C(Nc1ccc(-c2ccc3nnc(-c4ccccn4)n3n2)cc1)c1ccc2ccccc2n1 c1ccc2nc(ccc2c1)[*:1] O=C(Nc1ccc(cc1)-c1ccc2nnc(-c3ccccn3)n2n1)[*:1]
O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(Cc2cccs2)C1 c1csc(c1)C[*:1] O[C@@H]1C[C@@H](c2nc(no2)-c2ccc(F)cc2)N(C1)[*:1]
O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(Cc2cccs2)C1 Fc1ccc(cc1)[*:1] O[C@@H]1C[C@@H](c2nc(no2)[*:1])N(Cc2cccs2)C1
O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(Cc2cccs2)C1 c1csc(c1)[*:1] O[C@@H]1C[C@@H](c2nc(no2)-c2ccc(F)cc2)N(C1)C[*:1]
CCCCN(CC)C(=O)CN1CCOC[C@@H]1C#N CCCC[*:1] CCN(C(=O)CN1CCOC[C@@H]1C#N)[*:1]
CCCCN(CC)C(=O)CN1CCOC[C@@H]1C#N CCC[*:1] CCN(C[*:1])C(=O)CN1CCOC[C@@H]1C#N
CCN(C[C@@H]1CCCO1)C(=O)c1nc[nH]n1 C1CO[C@@H](C1)[*:1] CCN(C[*:1])C(=O)c1nc[nH]n1
C[C@@H](Sc1ccccc1F)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 Fc1ccccc1S[*:1] C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)[*:1]
C[C@@H](Sc1ccccc1F)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 Fc1ccccc1[*:1] C[C@@H](S[*:1])C(=O)[C@H](C#N)c1nc2ccccc2[nH]1
O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C[C@H]2CCCO2)C1=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(N[C@@]1(N=C(N(C[C@H]2CCCO2)C1=O)[*:1])C(F)(F)F)c1ccc(Cl)cc1
O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C[C@H]2CCCO2)C1=O)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 O=C1N(C[C@H]2CCCO2)C(=N[C@]1(C(F)(F)F)[*:1])c1ccccc1
O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C[C@H]2CCCO2)C1=O)c1ccc(Cl)cc1 FC(F)(F)[*:1] O=C(N[C@@]1(N=C(c2ccccc2)N(C[C@H]2CCCO2)C1=O)[*:1])c1ccc(Cl)cc1
O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C[C@H]2CCCO2)C1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1N(C[C@H]2CCCO2)C(=N[C@]1(NC(=O)[*:1])C(F)(F)F)c1ccccc1
Cc1ccc(CC(=O)N2CCC(c3nnc4n3CC[NH+](C)CC4)CC2)cc1C Cc1ccc(cc1C)[*:1] C[NH+]1CCc2nnc(C3CCN(CC3)C(=O)C[*:1])n2CC1
Cc1ccc(CC(=O)N2CCC(c3nnc4n3CC[NH+](C)CC4)CC2)cc1C Cc1ccc(cc1C)C[*:1] C[NH+]1CCc2nnc(C3CCN(CC3)C(=O)[*:1])n2CC1
O=C([C@@H]1COc2ccccc2C1)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C([C@@H]1COc2ccccc2C1)N1CCCC[C@H]1[*:1]
O=C([C@@H]1COc2ccccc2C1)N1CCCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C([C@@H]1COc2ccccc2C1)N1CCCC[C@@H]1C[*:1]
COCCN1CCC[C@@](O)(C[NH2+]Cc2ccncc2)C1=O c1cc(ccn1)C[*:1] COCCN1CCC[C@@](O)(C[NH2+][*:1])C1=O
COCCN1CCC[C@@](O)(C[NH2+]Cc2ccncc2)C1=O c1cc(ccn1)[*:1] COCCN1CCC[C@@](O)(C[NH2+]C[*:1])C1=O
COCCN1CCC[C@@](O)(C[NH2+]Cc2ccncc2)C1=O COCC[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]Cc1ccncc1)[*:1]
COCCN1CCC[C@@](O)(C[NH2+]Cc2ccncc2)C1=O COC[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]Cc1ccncc1)C[*:1]
CC[C@@H]1CCCCN1C(=O)COc1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CC[C@@H]1CCCCN1C(=O)COc1cc(ccc1C)[*:1]
CCOc1ccc2c(c1)CN(C(=O)C(=O)Nc1cnc3c(c1)c(C)nn3C)CC2 CCO[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)C(=O)N1CCc2ccc(cc2C1)[*:1]
Cc1ccc(CN2CN=C(Nc3nc(C)c4cc(C)cc(C)c4n3)NC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c2nc(nc(C)c2c1)NC1=NCN(CN1)C[*:1]
Cc1ccc(CN2CN=C(Nc3nc(C)c4cc(C)cc(C)c4n3)NC2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(C)c2nc(nc(C)c2c1)NC1=NCN(CN1)[*:1]
Cc1nnnn1-c1cc(NC(=O)N2[C@@H](C)C[C@@H]3CCCC[C@@H]32)ccc1F Cc1nnnn1[*:1] C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(F)c(c1)[*:1]
CCC[C@H]1C[C@H]1NC(=O)N[C@@H](CC)C(=O)N1CCOCC1 CCC[*:1] CC[C@H](NC(=O)N[C@@H]1C[C@@H]1[*:1])C(=O)N1CCOCC1
COC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@H](C)Sc1ncnc2c1cnn2[*:1]
COC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 COC(=O)[C@H](C)S[*:1] Fc1ccc(cc1)-n1ncc2c(ncnc21)[*:1]
COC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 COC(=O)[*:1] C[C@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)[*:1]
COC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 COC(=O)[C@H](C)[*:1] Fc1ccc(cc1)-n1ncc2c(ncnc21)S[*:1]
CC1([C@H]([NH3+])c2ccc3[nH]c(=O)oc3c2)CCCC1 CC1(CCCC1)[*:1] [NH3+][C@H](c1ccc2[nH]c(=O)oc2c1)[*:1]
O=C(NCCO)NCc1ccccc1F OCC[*:1] O=C(NCc1ccccc1F)N[*:1]
CC(C)n1cc(C#N)c(NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)n1 c1cnc(nc1)[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)NC[C@@H]1CCCN(C1)[*:1]
CC(C)n1cc(C#N)c(NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)n1 CC(C)[*:1] N#Cc1cn(nc1NC(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
C[C@@H](NC(=O)c1ccnc(N(C)C)c1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)c1ccnc(c1)N(C)C)[*:1]
C[C@@H](NC(=O)c1ccnc(N(C)C)c1)c1ccccn1 CN(C)[*:1] C[C@@H](NC(=O)c1ccnc(c1)[*:1])c1ccccn1
CN1CCC(=O)Nc2cc(C(=O)O[C@H](C(C)(C)C)C(F)(F)F)ccc21 CC(C)(C)[*:1] CN1CCC(=O)Nc2cc(ccc21)C(=O)O[C@H](C(F)(F)F)[*:1]
CN1CCC(=O)Nc2cc(C(=O)O[C@H](C(C)(C)C)C(F)(F)F)ccc21 FC(F)(F)[*:1] CN1CCC(=O)Nc2cc(ccc21)C(=O)O[C@H](C(C)(C)C)[*:1]
Cc1ccc2nc(C)cc(C(=O)N(C)CC3CC3)c2c1 C1CC1[*:1] Cc1ccc2nc(C)cc(C(=O)N(C)C[*:1])c2c1
Cc1ccc2nc(C)cc(C(=O)N(C)CC3CC3)c2c1 C1CC1C[*:1] Cc1ccc2nc(C)cc(C(=O)N(C)[*:1])c2c1
Cn1cc(C(=O)C[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2Cl)cn1 Clc1ccccc1C[*:1] Cn1cc(cn1)C(=O)C[C@@H]1CCCN1S(=O)(=O)[*:1]
Cn1cc(C(=O)C[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2Cl)cn1 Clc1ccccc1[*:1] Cn1cc(cn1)C(=O)C[C@@H]1CCCN1S(=O)(=O)C[*:1]
Cn1cc(C(=O)C[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2Cl)cn1 Cn1cc(cn1)C(=O)[*:1] O=S(=O)(Cc1ccccc1Cl)N1CCC[C@H]1C[*:1]
Cn1cc(C(=O)C[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2Cl)cn1 Cn1cc(cn1)[*:1] O=C(C[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1Cl)[*:1]
Cc1nc(C(C)(C)[NH2+]CCC(=O)N2CCOCC2)sc1C Cc1nc(sc1C)[*:1] CC(C)([NH2+]CCC(=O)N1CCOCC1)[*:1]
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NN1C(=O)NC2(CCCCC2)C1=O Clc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NN1C(=O)NC2(CCCCC2)C1=O)[*:1]
Cc1csc(Sc2ccc(NC(=O)NCCc3ccccn3)cc2)n1 c1ccc(CC[*:1])nc1 Cc1csc(n1)Sc1ccc(cc1)NC(=O)N[*:1]
Cc1csc(Sc2ccc(NC(=O)NCCc3ccccn3)cc2)n1 c1ccc(nc1)[*:1] Cc1csc(n1)Sc1ccc(cc1)NC(=O)NCC[*:1]
Cc1csc(Sc2ccc(NC(=O)NCCc3ccccn3)cc2)n1 c1ccc(C[*:1])nc1 Cc1csc(n1)Sc1ccc(cc1)NC(=O)NC[*:1]
Cc1csc(Sc2ccc(NC(=O)NCCc3ccccn3)cc2)n1 Cc1csc(n1)[*:1] O=C(NCCc1ccccn1)Nc1ccc(cc1)S[*:1]
Cc1csc(Sc2ccc(NC(=O)NCCc3ccccn3)cc2)n1 Cc1csc(n1)S[*:1] O=C(NCCc1ccccn1)Nc1ccc(cc1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](N[C@H](C)[C@H](O)[*:1])c1ccc(cc1)-n1ccnc1
COc1ccc([C@@H](O)[C@@H](C)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 c1cn(cn1)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)N[C@H](C)c1ccc(cc1)[*:1]
C[C@H]([NH3+])c1c(F)cccc1N(C)CCc1cccs1 c1csc(c1)[*:1] C[C@H]([NH3+])c1c(F)cccc1N(C)CC[*:1]
C[C@H]([NH3+])c1c(F)cccc1N(C)CCc1cccs1 c1csc(c1)C[*:1] C[C@H]([NH3+])c1c(F)cccc1N(C)C[*:1]
Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CN3CCCC[C@@H]3CO2)s1 Cc1ncc(s1)[*:1] C[C@@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
CCCC[S@](=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 CCC[*:1] O=[S@](Cc1ccc(cc1)S(=O)(=O)C(F)F)C[*:1]
CCCC[S@](=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] CCCC[S@](=O)Cc1ccc(cc1)[*:1]
CCCC[S@](=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] CCCC[S@](=O)Cc1ccc(cc1)S(=O)(=O)[*:1]
CCCC[S@](=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 CCCC[*:1] O=[S@](Cc1ccc(cc1)S(=O)(=O)C(F)F)[*:1]
CC(C)N1C(=O)N=C2N=C(N3CCCCC3)S[C@H]2C1=O CC(C)[*:1] O=C1N=C2N=C(S[C@H]2C(=O)N1[*:1])N1CCCCC1
CNC(=O)Nc1cccc(NC(=O)CNC(=O)CC2CCCCC2)c1 C1CCC(CC1)C[*:1] CNC(=O)Nc1cccc(c1)NC(=O)CNC(=O)[*:1]
CNC(=O)Nc1cccc(NC(=O)CNC(=O)CC2CCCCC2)c1 CNC(=O)N[*:1] O=C(CC1CCCCC1)NCC(=O)Nc1cccc(c1)[*:1]
CNC(=O)Nc1cccc(NC(=O)CNC(=O)CC2CCCCC2)c1 C1CCC(CC1)[*:1] CNC(=O)Nc1cccc(c1)NC(=O)CNC(=O)C[*:1]
CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(N)=O)n1 NC(=O)[*:1] CCOC(=O)c1ccc(C#N)c(n1)S[C@H](C)[*:1]
CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(N)=O)n1 C[C@H](C(N)=O)[*:1] CCOC(=O)c1ccc(C#N)c(n1)S[*:1]
CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(N)=O)n1 CCOC(=O)[*:1] C[C@@H](Sc1nc(ccc1C#N)[*:1])C(N)=O
CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(N)=O)n1 C[C@@H](S[*:1])C(N)=O CCOC(=O)c1ccc(C#N)c(n1)[*:1]
O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1ccccc1F Clc1ccc(Cl)c(c1)[*:1] O=C(NNc1ncnc(N[*:1])c1[N+](=O)[O-])c1ccccc1F
O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1ccccc1F Fc1ccccc1[*:1] O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])[*:1]
O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1ccccc1F O=[N+]([O-])[*:1] O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[*:1])c1ccccc1F
O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])c1ccccc1F Clc1ccc(Cl)c(c1)N[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1ccccc1F
CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)COC3)cc1OCC CCO[*:1] CCOc1cc(/C=C/C(=O)Nc2ccc3COCc3c2)ccc1[*:1]
CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)COC3)cc1OCC CCO[*:1] CCOc1ccc(/C=C/C(=O)Nc2ccc3COCc3c2)cc1[*:1]
O=C(CSc1nccn1Cc1ccccn1)NCc1ccco1 c1ccc(C[*:1])nc1 O=C(CSc1nccn1[*:1])NCc1ccco1
O=C(CSc1nccn1Cc1ccccn1)NCc1ccco1 c1ccc(nc1)[*:1] O=C(CSc1nccn1C[*:1])NCc1ccco1
O=C(CSc1nccn1Cc1ccccn1)NCc1ccco1 c1coc(c1)[*:1] O=C(CSc1nccn1Cc1ccccn1)NC[*:1]
O=C(CSc1nccn1Cc1ccccn1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CSc1nccn1Cc1ccccn1)N[*:1]
Cc1cccc(Nc2ccccc2C(=O)N(C)CC(=O)N(C)C)c1C CN(C)C(=O)[*:1] Cc1cccc(Nc2ccccc2C(=O)N(C)C[*:1])c1C
Cc1cccc(Nc2ccccc2C(=O)N(C)CC(=O)N(C)C)c1C Cc1cccc(c1C)[*:1] CN(C)C(=O)CN(C)C(=O)c1ccccc1N[*:1]
Cc1cccc(Nc2ccccc2C(=O)N(C)CC(=O)N(C)C)c1C CN(C)C(=O)C[*:1] Cc1cccc(Nc2ccccc2C(=O)N(C)[*:1])c1C
C[C@H](C(N)=O)N1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 NC(=O)[*:1] C[C@H](N1CC[NH+](CC1)Cc1ccc(cc1)-n1ccc(n1)C(F)(F)F)[*:1]
C[C@H](C(N)=O)N1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 FC(F)(F)c1ccn(n1)[*:1] C[C@H](C(N)=O)N1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
C[C@H](C(N)=O)N1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 FC(F)(F)[*:1] C[C@H](C(N)=O)N1CC[NH+](CC1)Cc1ccc(cc1)-n1ccc(n1)[*:1]
C[C@H](C(N)=O)N1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 C[C@H](C(N)=O)[*:1] FC(F)(F)c1ccn(n1)-c1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
CC1(C)CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CCO1 c1ccc(cc1)[*:1] CC1(C)CN(CCO1)C(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(Cc1csc(Nc2ccc(F)cc2)n1)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(Cc1csc(n1)Nc1ccc(F)cc1)NC[*:1]
O=C(Cc1csc(Nc2ccc(F)cc2)n1)NCc1ccccn1 Fc1ccc(cc1)[*:1] O=C(Cc1csc(n1)N[*:1])NCc1ccccn1
O=C(Cc1csc(Nc2ccc(F)cc2)n1)NCc1ccccn1 Fc1ccc(cc1)N[*:1] O=C(Cc1csc(n1)[*:1])NCc1ccccn1
O=C(Cc1csc(Nc2ccc(F)cc2)n1)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(Cc1csc(n1)Nc1ccc(F)cc1)N[*:1]
CCOC[C@@H]1CCN(C(=O)CCc2ccccc2F)C1 CCOC[*:1] O=C(CCc1ccccc1F)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)CCc2ccccc2F)C1 CCO[*:1] O=C(CCc1ccccc1F)N1CC[C@H](C1)C[*:1]
C[C@@H]1CCN(C(=O)CC[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1O CC(C)(C)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)CC[C@@H]1CCCN1C(=O)O[*:1]
CN(CC(F)(F)F)C(=O)CNc1c(F)cc(F)cc1F FC(F)(F)[*:1] CN(C[*:1])C(=O)CNc1c(F)cc(F)cc1F
CN(CC(F)(F)F)C(=O)CNc1c(F)cc(F)cc1F FC(F)(F)C[*:1] CN(C(=O)CNc1c(F)cc(F)cc1F)[*:1]
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@H]1c1cccc(F)c1 c1ccc(cc1)[*:1] CN1C(=O)CC[C@H](C(=O)N2CCN(CC2)[*:1])[C@H]1c1cccc(F)c1
CN1C(=O)CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CN1C(=O)CC[C@H](C(=O)N2CCN(CC2)c2ccccc2)[C@@H]1[*:1]
C=CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1c(C)cc(C)cc1C
C=CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1c(C)cc(C)cc1C
O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)c(C(F)(F)F)c1 ClC(Cl)(Cl)O[*:1] O=[N+]([O-])c1ccc(c(c1)C(F)(F)F)[*:1]
O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)c(C(F)(F)F)c1 O=[N+]([O-])[*:1] FC(F)(F)c1cc(ccc1OC(Cl)(Cl)Cl)[*:1]
O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)c(c1)[*:1]
O=[N+]([O-])c1ccc(OC(Cl)(Cl)Cl)c(C(F)(F)F)c1 ClC(Cl)(Cl)[*:1] O=[N+]([O-])c1ccc(O[*:1])c(c1)C(F)(F)F
O=C1C[C@@H](C(=O)N2CCCc3ccccc32)CN1CCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCCc2ccccc21
O=C1C[C@@H](C(=O)N2CCCc3ccccc32)CN1CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@H](CN1CC[*:1])C(=O)N1CCCc2ccccc21
O=C1C[C@@H](C(=O)N2CCCc3ccccc32)CN1CCc1ccc(F)cc1 Fc1ccc(cc1)CC[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCCc2ccccc21
CSc1ccc(Cl)c(C(=O)NNC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CSc1ccc(Cl)c(c1)C(=O)NNC(=O)[*:1]
O=C1c2ccccc2C(=O)N1CSc1nnc(Cc2ccccc2)n1-c1ccccc1 c1ccc(cc1)C[*:1] O=C1c2ccccc2C(=O)N1CSc1nnc(n1-c1ccccc1)[*:1]
O=C1c2ccccc2C(=O)N1CSc1nnc(Cc2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1CSc1nnc(C[*:1])n1-c1ccccc1
O=C1c2ccccc2C(=O)N1CSc1nnc(Cc2ccccc2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1CSc1nnc(Cc2ccccc2)n1[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 Fc1ccc(cc1)[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)CCCc1nc(no1)[*:1]
CNC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)ccc1F CC(C)[*:1] CNC(=O)c1cc(ccc1F)NC(=O)C(=O)N[C@H]1CCC[C@@H]1CC[*:1]
CNC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)ccc1F CC(C)CC[*:1] CNC(=O)c1cc(ccc1F)NC(=O)C(=O)N[C@H]1CCC[C@H]1[*:1]
CNC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)ccc1F CNC(=O)[*:1] CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(c1)[*:1]
CNC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)ccc1F CC(C)C[*:1] CNC(=O)c1cc(ccc1F)NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)Cc1ccccc1F CC(=O)N[*:1] O=C(Cc1ccccc1F)NNC(=O)C(=Cc1ccccc1)[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)Cc1ccccc1F Fc1ccccc1C[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)Cc1ccccc1F c1ccc(cc1)[*:1] CC(=O)NC(=C[*:1])C(=O)NNC(=O)Cc1ccccc1F
CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)Cc1ccccc1F Fc1ccccc1[*:1] CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=O)C[*:1]
COc1ccc([C@@H](NC(=O)/C=C/c2ccc(F)c(OC)c2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)/C=C/c1ccc(F)c(c1)OC)[*:1]
COc1ccc([C@@H](NC(=O)/C=C/c2ccc(F)c(OC)c2)C2CCOCC2)cc1 COc1cc(ccc1F)[*:1] COc1ccc(cc1)[C@@H](NC(=O)C=C[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)/C=C/c2ccc(F)c(OC)c2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] COc1cc(/C=C/C(=O)N[C@@H](C2CCOCC2)[*:1])ccc1F
C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)c2)C1=O O=C([O-])[*:1] C[C@H]1CS(=O)(=O)N(C1=O)c1cccc(c1)C(=O)Nc1ccc(O)c(c1)[*:1]
CC(C)OC(=O)CS[C@@H](C)c1nnc(-c2cccs2)o1 c1csc(c1)[*:1] CC(C)OC(=O)CS[C@@H](C)c1nnc(o1)[*:1]
CC(C)OC(=O)CS[C@@H](C)c1nnc(-c2cccs2)o1 CC(C)[*:1] C[C@H](SCC(=O)O[*:1])c1nnc(o1)-c1cccs1
CC(C)OC(=O)CS[C@@H](C)c1nnc(-c2cccs2)o1 CC(C)OC(=O)[*:1] C[C@H](SC[*:1])c1nnc(o1)-c1cccs1
CCCN[C@@]1(C(=O)OC)CC[C@@H]([NH+]2CCCC2)C1 CCCN[*:1] COC(=O)[C@]1(CC[C@H](C1)[NH+]1CCCC1)[*:1]
CCCN[C@@]1(C(=O)OC)CC[C@@H]([NH+]2CCCC2)C1 CCC[*:1] COC(=O)[C@@]1(CC[C@H](C1)[NH+]1CCCC1)N[*:1]
CCCN[C@@]1(C(=O)OC)CC[C@@H]([NH+]2CCCC2)C1 COC(=O)[*:1] CCCN[C@]1(CC[C@H](C1)[NH+]1CCCC1)[*:1]
Cc1cc(NC(=O)Cn2c(C)cc3ccccc32)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1cc2ccccc2n1CC(=O)N[*:1]
C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCNC(=O)C1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[*:1])C(=O)N1CCNC(=O)C1
CC[C@@H]1CCCCN1c1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] CN(c1ccccc1)[*:1] CC[C@@H]1CCCCN1c1ncnc(c1[N+](=O)[O-])[*:1]
CC[C@@H]1CCCCN1c1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H]1CCCCN1c1ncnc(c1[*:1])N(C)c1ccccc1
CC[C@@H]1CCCCN1c1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] CC[C@@H]1CCCCN1c1ncnc(c1[N+](=O)[O-])N(C)[*:1]
CC[C@@H]1CCCCN1c1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] CC[C@@H]1CCCCN1[*:1] CN(c1ccccc1)c1ncnc(c1[N+](=O)[O-])[*:1]
O=C([O-])[C@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H](c2ccccc2F)N1 O=C([O-])[*:1] Fc1ccccc1[C@@H]1N[C@H](CC2=c3ccccc3=[NH+][C@H]21)[*:1]
O=C([O-])[C@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H](c2ccccc2F)N1 Fc1ccccc1[*:1] O=C([O-])[C@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H](N1)[*:1]
Cc1noc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)n1 Cc1noc(n1)[*:1] O=C(c1c(F)cccc1F)N1CCC[C@H]1[*:1]
N#Cc1ccc(-c2noc(-c3ccsc3)n2)nc1 c1cc(cs1)[*:1] N#Cc1ccc(nc1)-c1noc(n1)[*:1]
O=C(c1ccc(-n2cccc2)nc1)N1CCO[C@@H]2CCCC[C@@H]21 c1ccn(c1)[*:1] O=C(c1ccc(nc1)[*:1])N1CCO[C@@H]2CCCC[C@@H]21
Cn1c(N)c(C(=O)COC(=O)/C=C/c2cccc(Br)c2)c(=O)n(C)c1=O Brc1cccc(c1)[*:1] Cn1c(N)c(C(=O)COC(=O)C=C[*:1])c(=O)n(C)c1=O
CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H]1CCC[C@@H]1O CC(C)(C)[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)[*:1])C(=O)NC[C@H]1CCC[C@@H]1O
CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H]1CCC[C@@H]1O CC(C)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N[C@@H](C(=O)NC[C@H]1CCC[C@@H]1O)[*:1]
C[C@H]1CCCCN1C(=O)Cn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 Fc1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
C[C@H]1CCCCN1C(=O)Cn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 C[C@H]1CCCCN1C(=O)C[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1[*:1]
O=C(Nc1ccc(F)cc1OCC(F)F)c1cccnc1N1CCCC1 FC(F)[*:1] O=C(Nc1ccc(F)cc1OC[*:1])c1cccnc1N1CCCC1
O=C(Nc1ccc(F)cc1OCC(F)F)c1cccnc1N1CCCC1 C1CCN(C1)[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)c1cccnc1[*:1]
O=C(Nc1ccc(F)cc1OCC(F)F)c1cccnc1N1CCCC1 FC(F)C[*:1] O=C(Nc1ccc(F)cc1O[*:1])c1cccnc1N1CCCC1
O=C(Nc1ccc(F)cc1OCC(F)F)c1cccnc1N1CCCC1 FC(F)CO[*:1] O=C(Nc1ccc(F)cc1[*:1])c1cccnc1N1CCCC1
CC(C)N(C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)C(C)C O=C(N1CCCCC1)[*:1] CC(C)N(C(=O)C(=O)c1cn(C[*:1])c2ccccc12)C(C)C
CC(C)N(C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)C(C)C CC(C)[*:1] CC(C)N(C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)[*:1]
CC(C)N(C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)C(C)C O=C(C[*:1])N1CCCCC1 CC(C)N(C(=O)C(=O)c1cn(c2ccccc12)[*:1])C(C)C
Cc1noc(CCNC(=O)Nc2ccc(F)cc2OCC2CC2)n1 Cc1noc(C[*:1])n1 O=C(NC[*:1])Nc1ccc(F)cc1OCC1CC1
Cc1noc(CCNC(=O)Nc2ccc(F)cc2OCC2CC2)n1 C1CC1C[*:1] Cc1noc(CCNC(=O)Nc2ccc(F)cc2O[*:1])n1
Cc1noc(CCNC(=O)Nc2ccc(F)cc2OCC2CC2)n1 Cc1noc(CC[*:1])n1 O=C(Nc1ccc(F)cc1OCC1CC1)N[*:1]
Cc1noc(CCNC(=O)Nc2ccc(F)cc2OCC2CC2)n1 C1CC1CO[*:1] Cc1noc(CCNC(=O)Nc2ccc(F)cc2[*:1])n1
Cc1noc(CCNC(=O)Nc2ccc(F)cc2OCC2CC2)n1 Cc1noc(n1)[*:1] O=C(NCC[*:1])Nc1ccc(F)cc1OCC1CC1
Cc1noc(CCNC(=O)Nc2ccc(F)cc2OCC2CC2)n1 C1CC1[*:1] Cc1noc(CCNC(=O)Nc2ccc(F)cc2OC[*:1])n1
O=S(=O)(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(c1ccc(Cl)cc1F)N1CCC(CC1)NS(=O)(=O)[*:1]
O=S(=O)(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1)c1cccs1 Fc1cc(Cl)ccc1[*:1] O=S(=O)(NC1CCN(CC1)S(=O)(=O)[*:1])c1cccs1
CC(=O)c1ccc(Oc2cccc(C(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 O=C(Nc1ccccc1)[*:1] CC(=O)c1ccc(Oc2cccc(c2)[*:1])c(c1)[N+](=O)[O-]
CC(=O)c1ccc(Oc2cccc(C(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CC(=O)c1ccc(Oc2cccc(c2)C(=O)N[*:1])c(c1)[N+](=O)[O-]
CC(=O)c1ccc(Oc2cccc(C(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(Oc2cccc(c2)C(=O)Nc2ccccc2)c(c1)[*:1]
CC(=O)c1ccc(Oc2cccc(C(=O)Nc3ccccc3)c2)c([N+](=O)[O-])c1 CC(=O)[*:1] O=C(Nc1ccccc1)c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1cc(C(C)(C)C)ccc1OS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C CS(=O)(=O)[*:1] Cc1cc(ccc1OS(=O)(=O)c1cc(ccc1C)[*:1])C(C)(C)C
Cc1cc(C(C)(C)C)ccc1OS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C CC(C)(C)[*:1] Cc1cc(ccc1OS(=O)(=O)c1cc(ccc1C)S(C)(=O)=O)[*:1]
COCCCN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 COCCC[*:1] CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[*:1]
COCCCN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COCCCN(C)C(=O)[C@H]1C[C@H]1[*:1]
COCCCN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 COC[*:1] CN(CC[*:1])C(=O)[C@H]1C[C@@H]1c1ccccc1
COCCCN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 COCC[*:1] CN(C[*:1])C(=O)[C@H]1C[C@@H]1c1ccccc1
Cc1cc(C)n(Cc2cccc(CNC(=O)c3ccc4c(c3)c(C)cn4C)c2)n1 Cc1cc(C)n(C[*:1])n1 Cc1cn(C)c2ccc(cc12)C(=O)NCc1cccc(c1)[*:1]
Cc1cc(C)n(Cc2cccc(CNC(=O)c3ccc4c(c3)c(C)cn4C)c2)n1 Cc1cc(C)n(n1)[*:1] Cc1cn(C)c2ccc(cc12)C(=O)NCc1cccc(c1)C[*:1]
COC(=O)[C@H](NC(=O)c1cc2ccc(OC)cc2[nH]1)c1ccc(C)cc1 COC(=O)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N[C@H](c1ccc(C)cc1)[*:1]
COC(=O)[C@H](NC(=O)c1cc2ccc(OC)cc2[nH]1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)c1cc2ccc(cc2[nH]1)OC)[*:1]
Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1F Fc1ccccc1[*:1] Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2[*:1]
Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1F Cc1ccccc1[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@H](C=21)c1ccccc1F)[*:1]
Cc1cc(C)c(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(N[*:1])c1ccc(cc1)N1C(=O)c2ccccc2C1=O
C[C@H](C(=O)Nc1ccc(NC(=O)CCc2ccncc2)cc1)n1cncn1 c1cc(ccn1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)NC(=O)CC[*:1])n1cncn1
C[C@H](C(=O)Nc1ccc(NC(=O)CCc2ccncc2)cc1)n1cncn1 c1cc(ccn1)C[*:1] C[C@H](C(=O)Nc1ccc(cc1)NC(=O)C[*:1])n1cncn1
C[C@H](C(=O)Nc1ccc(NC(=O)CCc2ccncc2)cc1)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)NC(=O)CCc1ccncc1)[*:1]
C[C@H](C(=O)Nc1ccc(NC(=O)CCc2ccncc2)cc1)n1cncn1 c1cc(ccn1)CC[*:1] C[C@H](C(=O)Nc1ccc(cc1)NC(=O)[*:1])n1cncn1
Cc1nc(C(=O)N2CCCN(c3nccs3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(N1CCCN(CC1)c1nccs1)[*:1]
Cc1nc(C(=O)N2CCCN(c3nccs3)CC2)cs1 c1csc(n1)[*:1] Cc1nc(cs1)C(=O)N1CCCN(CC1)[*:1]
Cc1c(C(=O)Nc2ncc([N+](=O)[O-])s2)oc2c1C1(CCC2)SCCS1 O=[N+]([O-])[*:1] Cc1c(oc2CCCC3(SCCS3)c21)C(=O)Nc1ncc(s1)[*:1]
Cc1c(C(=O)Nc2ncc([N+](=O)[O-])s2)oc2c1C1(CCC2)SCCS1 O=[N+]([O-])c1cnc(s1)[*:1] Cc1c(oc2CCCC3(SCCS3)c21)C(=O)N[*:1]
CCCCOc1ccc(C(=O)Nc2cccc(-c3c[nH+]c4n3CCC4)c2)cc1 CCCCO[*:1] O=C(Nc1cccc(c1)-c1c[nH+]c2CCCn12)c1ccc(cc1)[*:1]
CCCCOc1ccc(C(=O)Nc2cccc(-c3c[nH+]c4n3CCC4)c2)cc1 CCCC[*:1] O=C(Nc1cccc(c1)-c1c[nH+]c2CCCn12)c1ccc(cc1)O[*:1]
CCCCOc1ccc(C(=O)Nc2cccc(-c3c[nH+]c4n3CCC4)c2)cc1 CCC[*:1] O=C(Nc1cccc(c1)-c1c[nH+]c2CCCn12)c1ccc(cc1)OC[*:1]
Cc1cccc(C(=O)N/N=C/C2=NN=C[C@H]2c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N/N=C/C1=NN=C[C@@H]1[*:1]
Cc1cccc(C(=O)N/N=C/C2=NN=C[C@H]2c2ccc(F)cc2)c1 Cc1cccc(c1)[*:1] O=C(N/N=C/C1=NN=C[C@H]1c1ccc(F)cc1)[*:1]
O=C(c1cnc2ncnn2c1[O-])N1CCN(Cc2ccccc2CO)CC1 OCc1ccccc1[*:1] O=C(c1cnc2ncnn2c1[O-])N1CCN(CC1)C[*:1]
O=C(c1cnc2ncnn2c1[O-])N1CCN(Cc2ccccc2CO)CC1 OCc1ccccc1C[*:1] O=C(c1cnc2ncnn2c1[O-])N1CCN(CC1)[*:1]
Cc1ccccc1CCNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 Cc1ccccc1[*:1] O=C(NCC1CC1)[C@@H]1CCCN(C1)C(=O)NCC[*:1]
Cc1ccccc1CCNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 C1CC1C[*:1] Cc1ccccc1CCNC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccccc1CCNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 Cc1ccccc1C[*:1] O=C(NCC1CC1)[C@@H]1CCCN(C1)C(=O)NC[*:1]
Cc1ccccc1CCNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 C1CC1[*:1] Cc1ccccc1CCNC(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1ccccc1CCNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 O=C(NCC1CC1)[*:1] Cc1ccccc1CCNC(=O)N1CCC[C@@H](C1)[*:1]
CC(C)c1nc(CNC(=O)c2ccc(N[C@@H](C)C3CC3)nc2)no1 CC(C)[*:1] C[C@H](Nc1ccc(cn1)C(=O)NCc1noc(n1)[*:1])C1CC1
CC(C)c1nc(CNC(=O)c2ccc(N[C@@H](C)C3CC3)nc2)no1 C[C@H](N[*:1])C1CC1 CC(C)c1nc(CNC(=O)c2ccc(nc2)[*:1])no1
CC(C)c1nc(CNC(=O)c2ccc(N[C@@H](C)C3CC3)nc2)no1 C1CC1[*:1] CC(C)c1nc(CNC(=O)c2ccc(nc2)N[C@@H](C)[*:1])no1
CC(C)c1nc(CNC(=O)c2ccc(N[C@@H](C)C3CC3)nc2)no1 CC(C)c1nc(no1)[*:1] C[C@H](Nc1ccc(cn1)C(=O)NC[*:1])C1CC1
CC(C)(C)OC(=O)N1CCC[C@H](CCOc2ccc(Br)cn2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](CCOc2ccc(Br)cn2)C1
CC(C)(C)OC(=O)N1CCC[C@H](CCOc2ccc(Br)cn2)C1 Brc1ccc(nc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](CCO[*:1])C1
COc1ccc(S(=O)(=O)Nc2ccccc2-c2cnn(C(C)C)c2)cc1 CC(C)n1cc(cn1)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccccc1[*:1]
COc1ccc(S(=O)(=O)Nc2ccccc2-c2cnn(C(C)C)c2)cc1 COc1ccc(cc1)[*:1] CC(C)n1cc(cn1)-c1ccccc1NS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)Nc2ccccc2-c2cnn(C(C)C)c2)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1cnn(c1)[*:1]
CC(C)c1cc(C(=O)N(C)CCOc2ccc(F)cc2)nn1C Fc1ccc(cc1)[*:1] CC(C)c1cc(nn1C)C(=O)N(C)CCO[*:1]
CC(C)c1cc(C(=O)N(C)CCOc2ccc(F)cc2)nn1C CC(C)[*:1] CN(CCOc1ccc(F)cc1)C(=O)c1cc(n(C)n1)[*:1]
COC(=O)C1CCN(c2ncnc(NNC(=O)c3ccccc3Cl)c2N)CC1 Clc1ccccc1[*:1] COC(=O)C1CCN(CC1)c1ncnc(NNC(=O)[*:1])c1N
COC(=O)C1CCN(c2ncnc(NNC(=O)c3ccccc3Cl)c2N)CC1 COC(=O)[*:1] Nc1c(ncnc1N1CCC(CC1)[*:1])NNC(=O)c1ccccc1Cl
CC[C@@H](C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O CC[C@@H](C)C(=O)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(C#N)cc1
CC[C@@H](C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O CC[C@@H](C)C(=O)C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(C#N)cc1
CC[C@@H](C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O CC[C@@H](C)[*:1] C[C@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc(C#N)cc1
CCCCCc1nnc(NC(=O)C(=O)N[C@@H]2CCc3ccccc32)s1 CCCC[*:1] O=C(Nc1nnc(C[*:1])s1)C(=O)N[C@@H]1CCc2ccccc21
CCCCCc1nnc(NC(=O)C(=O)N[C@@H]2CCc3ccccc32)s1 CCC[*:1] O=C(Nc1nnc(CC[*:1])s1)C(=O)N[C@@H]1CCc2ccccc21
CCCCCc1nnc(NC(=O)C(=O)N[C@@H]2CCc3ccccc32)s1 CCCCC[*:1] O=C(Nc1nnc(s1)[*:1])C(=O)N[C@@H]1CCc2ccccc21
Cc1ccn2c(=O)c(C(=O)NCC(=O)OC3CCCCC3)cnc2c1 C1CCC(CC1)[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)NCC(=O)O[*:1]
C[C@@H]([NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C)[*:1]
COCCCN1[C@H](NC(=O)c2ccccc2)[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](C)[C@H]1C O=C(N[*:1])c1ccccc1 COCCCN1[C@H]([C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](C)[C@H]1C)[*:1]
COCCCN1[C@H](NC(=O)c2ccccc2)[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](C)[C@H]1C c1ccc(cc1)[*:1] COCCCN1[C@H](NC(=O)[*:1])[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](C)[C@H]1C
COCCCN1[C@H](NC(=O)c2ccccc2)[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](C)[C@H]1C COC[*:1] C[C@@H]1[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](NC(=O)c2ccccc2)N(CC[*:1])[C@@H]1C
COCCCN1[C@H](NC(=O)c2ccccc2)[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](C)[C@H]1C COCC[*:1] C[C@@H]1[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](NC(=O)c2ccccc2)N(C[*:1])[C@@H]1C
COCCCN1[C@H](NC(=O)c2ccccc2)[C@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](C)[C@H]1C COCCC[*:1] C[C@@H]1[C@@H](C2[NH+]=c3ccccc3=[NH+]2)[C@@H](NC(=O)c2ccccc2)N([C@@H]1C)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(=O)c2ccccc2o1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)c1cc(=O)c2ccccc2o1)[*:1]
CCC1(CC)CN(C[C@]2(C)CCCO2)CCC[NH2+]1 C[C@@]1(CCCO1)[*:1] CCC1(CC)CN(CCC[NH2+]1)C[*:1]
C[C@@H](CC#N)[NH2+]C[C@]1(C)CCCO1 N#CC[*:1] C[C@@H]([NH2+]C[C@]1(C)CCCO1)[*:1]
COCC[NH2+]CC(=O)Nc1ccc(Cl)cc1C COC[*:1] Cc1cc(Cl)ccc1NC(=O)C[NH2+]C[*:1]
COCC[NH2+]CC(=O)Nc1ccc(Cl)cc1C COCC[*:1] Cc1cc(Cl)ccc1NC(=O)C[NH2+][*:1]
CN1CCO[C@@H](CNC(=O)c2ccc(C#CCCO)s2)C1 OCC[*:1] CN1CCO[C@@H](CNC(=O)c2ccc(C#C[*:1])s2)C1
CN1CCO[C@@H](CNC(=O)c2ccc(C#CCCO)s2)C1 CN1CCO[C@@H](C1)[*:1] O=C(NC[*:1])c1ccc(C#CCCO)s1
CN1CCO[C@@H](CNC(=O)c2ccc(C#CCCO)s2)C1 OCCC#C[*:1] CN1CCO[C@@H](CNC(=O)c2ccc(s2)[*:1])C1
Cc1cc(C)c(C(=O)Nc2nnc(-c3ccncc3)s2)c(C)c1 c1cc(ccn1)[*:1] Cc1cc(C)c(C(=O)Nc2nnc(s2)[*:1])c(C)c1
CC(C)[NH2+]Cc1ncoc1-c1cc2c(s1)CCCCC2 CC(C)[*:1] c1nc(C[NH2+][*:1])c(o1)-c1cc2CCCCCc2s1
COc1ccc(Cc2nc3ccc(C(=O)NCCN4CCOCC4)cc3o2)cc1 COc1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)c1ccc2nc(C[*:1])oc2c1
COc1ccc(Cc2nc3ccc(C(=O)NCCN4CCOCC4)cc3o2)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)Cc1nc2ccc(cc2o1)C(=O)NC[*:1]
COc1ccc(Cc2nc3ccc(C(=O)NCCN4CCOCC4)cc3o2)cc1 C1CN(CCO1)CC[*:1] COc1ccc(cc1)Cc1nc2ccc(cc2o1)C(=O)N[*:1]
COc1ccc(Cc2nc3ccc(C(=O)NCCN4CCOCC4)cc3o2)cc1 COc1ccc(cc1)C[*:1] O=C(NCCN1CCOCC1)c1ccc2nc(oc2c1)[*:1]
COc1ccc(Cc2nc3ccc(C(=O)NCCN4CCOCC4)cc3o2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)Cc1nc2ccc(cc2o1)C(=O)NCC[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 Cc1noc(C)c1[*:1] O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1cnc2ccccc2c1)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 c1ccc2ncc(cc2c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(nn1)-c1ccc(F)cc1
O=C(Nc1cnc2ccccc2c1)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1cnc2ccccc2c1)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
C[C@@H](C(=O)N(C)c1ccccc1-c1ccccc1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)N(C)c1ccccc1-c1ccccc1)[*:1]
C[C@@H](C(=O)N(C)c1ccccc1-c1ccccc1)n1cncn1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N(C)c1ccccc1[*:1])n1cncn1
O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3O2)s1 O=[N+]([O-])[*:1] c1ccc2O[C@H](Nc2c1)c1ccc(s1)[*:1]
C[C@H](Cc1nc2ccccc2s1)Sc1nncn1C1CC1 C1CC1[*:1] C[C@H](Cc1nc2ccccc2s1)Sc1nncn1[*:1]
COc1cc([C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NC(C)C)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CN(C[C@H]1C(=O)NC(C)C)C(=O)[*:1]
COc1cc([C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NC(C)C)cc(OC)c1OC CC(C)NC(=O)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1ccccc1
COc1cc([C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C(=O)NC(C)C)cc(OC)c1OC CC(C)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CN(C[C@H]1C(=O)N[*:1])C(=O)c1ccccc1
C=CCNC(=S)Nc1ccc(Nc2ccccc2)cc1 c1ccc(cc1)[*:1] C=CCNC(=S)Nc1ccc(cc1)N[*:1]
C=CCNC(=S)Nc1ccc(Nc2ccccc2)cc1 C=CC[*:1] S=C(Nc1ccc(cc1)Nc1ccccc1)N[*:1]
O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCC1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)NCC1(CC1)[*:1]
O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCC1(c2ccc(F)cc2)CC1 FC(F)(F)[*:1] O=C(Cn1c(nc2ccccc21)[*:1])NCC1(CC1)c1ccc(F)cc1
CC(C)(CN1CCN(C(=O)c2ccc(F)cc2F)CC1)S(C)(=O)=O Fc1ccc(c(F)c1)[*:1] CC(C)(CN1CCN(CC1)C(=O)[*:1])S(C)(=O)=O
CC(C)(CN1CCN(C(=O)c2ccc(F)cc2F)CC1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] O=C(c1ccc(F)cc1F)N1CCN(CC1)C[*:1]
CC(C)(CN1CCN(C(=O)c2ccc(F)cc2F)CC1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CN1CCN(CC1)C(=O)c1ccc(F)cc1F)[*:1]
CC(C)(CN1CCN(C(=O)c2ccc(F)cc2F)CC1)S(C)(=O)=O CC(C)(C[*:1])S(C)(=O)=O O=C(c1ccc(F)cc1F)N1CCN(CC1)[*:1]
CC(C)Nc1ccc(F)cc1NC(=O)c1occc1Br CC(C)[*:1] O=C(Nc1cc(F)ccc1N[*:1])c1occc1Br
CC(C)Nc1ccc(F)cc1NC(=O)c1occc1Br Brc1ccoc1[*:1] CC(C)Nc1ccc(F)cc1NC(=O)[*:1]
CC(C)Nc1ccc(F)cc1NC(=O)c1occc1Br CC(C)N[*:1] O=C(Nc1cc(F)ccc1[*:1])c1occc1Br
Cc1ccc(CN2C(=O)[C@@]3(SCCN3C(=O)c3cccc(F)c3)c3cc(F)ccc32)cc1 Cc1ccc(cc1)[*:1] O=C(c1cccc(F)c1)N1CCS[C@@]12C(=O)N(C[*:1])c1ccc(F)cc12
Cc1ccc(CN2C(=O)[C@@]3(SCCN3C(=O)c3cccc(F)c3)c3cc(F)ccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(c1cccc(F)c1)N1CCS[C@@]12C(=O)N(c1ccc(F)cc12)[*:1]
Cc1ccc(CN2C(=O)[C@@]3(SCCN3C(=O)c3cccc(F)c3)c3cc(F)ccc32)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)CN1C(=O)[C@@]2(SCCN2C(=O)[*:1])c2cc(F)ccc21
C#CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 C#CC[*:1] C[C@@H](NS(=O)(=O)c1cccs1)C(=O)O[*:1]
C#CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 c1csc(c1)[*:1] C#CCOC(=O)[C@@H](C)NS(=O)(=O)[*:1]
COc1ccc(F)cc1NCc1ccc(N2CCCC2)[nH+]c1 C1CCN(C1)[*:1] COc1ccc(F)cc1NCc1ccc([nH+]c1)[*:1]
CC(C)[NH2+]C[C@@H](C)Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CC(C)[NH2+]C[C@@H](C)Cc1nc(cs1)[*:1]
CC(C)[NH2+]C[C@@H](C)Cc1nc(C(C)(C)C)cs1 CC(C)[*:1] C[C@H](C[NH2+][*:1])Cc1nc(cs1)C(C)(C)C
N#C[C@@]1(NC2CC2)CC[C@@H](SCCCO)C1 OCC[*:1] N#C[C@]1(CC[C@H](C1)SC[*:1])NC1CC1
N#C[C@@]1(NC2CC2)CC[C@@H](SCCCO)C1 OCCC[*:1] N#C[C@]1(CC[C@H](C1)S[*:1])NC1CC1
N#C[C@@]1(NC2CC2)CC[C@@H](SCCCO)C1 OCCCS[*:1] N#C[C@]1(CC[C@@H](C1)[*:1])NC1CC1
N#C[C@@]1(NC2CC2)CC[C@@H](SCCCO)C1 C1CC1N[*:1] N#C[C@]1(CC[C@H](C1)SCCCO)[*:1]
N#C[C@@]1(NC2CC2)CC[C@@H](SCCCO)C1 C1CC1[*:1] N#C[C@]1(CC[C@H](C1)SCCCO)N[*:1]
CCc1ccc(C2=CCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)cc1 CCc1ccc(cc1)[*:1] CN1C[C@@H](CCC1=O)NC(=O)N1CC=C(CC1)[*:1]
CC(C)CCN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 CC(C)CC[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)N1CCN(CC1)[*:1]
CC(C)CCN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 CC(C)(C)[*:1] CC(C)CCN1CCN(CC1)C(=O)C(=O)Nc1nn(cc1C#N)[*:1]
CC(C)CCN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 CC(C)C[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)N1CCN(CC1)C[*:1]
CC(C)CCN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 CC(C)[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)N1CCN(CC1)CC[*:1]
CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCOCC1 CCC(C)(C)[*:1] C[C@@H]([NH2+][*:1])C(=O)N1CCOCC1
CCOCc1ccccc1NC(=O)c1ccc(Cl)cc1OC CCOC[*:1] COc1cc(Cl)ccc1C(=O)Nc1ccccc1[*:1]
CCOCc1ccccc1NC(=O)c1ccc(Cl)cc1OC CCO[*:1] COc1cc(Cl)ccc1C(=O)Nc1ccccc1C[*:1]
COc1cccc([C@@H]2CN(C(=O)NC(C)(C)C)C[C@@H]2C(=O)NCC2CC2)c1OC O=C(NCC1CC1)[*:1] COc1cccc(c1OC)[C@@H]1CN(C[C@H]1[*:1])C(=O)NC(C)(C)C
COc1cccc([C@@H]2CN(C(=O)NC(C)(C)C)C[C@@H]2C(=O)NCC2CC2)c1OC CC(C)(C)[*:1] COc1cccc(c1OC)[C@@H]1CN(C[C@@H]1C(=O)NCC1CC1)C(=O)N[*:1]
COc1cccc([C@@H]2CN(C(=O)NC(C)(C)C)C[C@@H]2C(=O)NCC2CC2)c1OC C1CC1[*:1] COc1cccc(c1OC)[C@@H]1CN(C[C@@H]1C(=O)NC[*:1])C(=O)NC(C)(C)C
COc1cccc([C@@H]2CN(C(=O)NC(C)(C)C)C[C@@H]2C(=O)NCC2CC2)c1OC C1CC1C[*:1] COc1cccc(c1OC)[C@@H]1CN(C[C@@H]1C(=O)N[*:1])C(=O)NC(C)(C)C
Nc1ncc(C(=O)[O-])c(-c2ccccc2)n1 O=C([O-])[*:1] Nc1ncc(c(n1)-c1ccccc1)[*:1]
O=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)c1ccccc1)c1ccc(cc1)[*:1]
O=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)c1ccc(-n2cccc2)cc1 c1ccc(cc1)[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)[*:1])c1ccc(cc1)-n1cccc1
Cc1c(CCC(=O)NCC(=O)[O-])c(=O)oc2cc(O)ccc12 O=C([O-])[*:1] Cc1c(CCC(=O)NC[*:1])c(=O)oc2cc(O)ccc12
Cc1c(CCC(=O)NCC(=O)[O-])c(=O)oc2cc(O)ccc12 O=C([O-])C[*:1] Cc1c(CCC(=O)N[*:1])c(=O)oc2cc(O)ccc12
Cc1c(CCC(=O)NCC(=O)[O-])c(=O)oc2cc(O)ccc12 O=C([O-])CNC(=O)[*:1] Cc1c(CC[*:1])c(=O)oc2cc(O)ccc12
O=C(NCc1cc(-c2ccccc2)no1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCc1cc(no1)[*:1])N1CCN(CC1)c1ccccc1
O=C(NCc1cc(-c2ccccc2)no1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NCc1cc(no1)-c1ccccc1)N1CCN(CC1)[*:1]
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1nc2ccc(F)cc2s1 c1coc(c1)[*:1] O=C(CSc1nnc(C2CC2)n1C[*:1])Nc1nc2ccc(F)cc2s1
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1nc2ccc(F)cc2s1 C1CC1[*:1] O=C(CSc1nnc(n1Cc1ccco1)[*:1])Nc1nc2ccc(F)cc2s1
O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1nc2ccc(F)cc2s1 c1coc(c1)C[*:1] O=C(CSc1nnc(C2CC2)n1[*:1])Nc1nc2ccc(F)cc2s1
CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)[*:1]
CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)C1CCOCC1 Brc1ccccc1[*:1] CN(C(=O)N[C@@H]1C[C@@H]1[*:1])C1CCOCC1
C[C@H]([NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl)c1ccncc1 c1cc(ccn1)[*:1] C[C@H]([NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl)[*:1]
C[C@@H]1CN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCO1 O=[N+]([O-])[*:1] C[C@@H]1CN(CCO1)CN1C(=O)c2ccc(cc2C1=O)[*:1]
COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccncc2F)c1 COc1cccc(c1)[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1ccncc1F
COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccncc2F)c1 Fc1cnccc1[*:1] COc1cccc(c1)NC(=O)c1ccccc1NC(=O)[*:1]
C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@]2(C)CO)[C@H]1C/C=C1\C(=O)OC[C@H]1O O=C1OC[C@@H](O)C1=C[*:1] C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@]2(C)CO)[C@H]1C[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)NCc1c(C)nn(CC)c1C CCS[*:1] CCn1nc(C)c(CNC(=O)N[C@H]2CCCC[C@@H]2[*:1])c1C
CCOc1ccccc1[C@H]1CC[NH2+]C[C@@H]1CC CCO[*:1] CC[C@H]1C[NH2+]CC[C@@H]1c1ccccc1[*:1]
O=C(CCS(=O)(=O)C1CCCC1)/N=c1\sccn1Cc1ccccc1 C1CCC(C1)[*:1] O=C(CCS(=O)(=O)[*:1])/N=c1\sccn1Cc1ccccc1
O=C(CCS(=O)(=O)C1CCCC1)/N=c1\sccn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCS(=O)(=O)C1CCCC1)/N=c1\sccn1[*:1]
O=C(CCS(=O)(=O)C1CCCC1)/N=c1\sccn1Cc1ccccc1 O=S(=O)(C1CCCC1)[*:1] O=C(CC[*:1])/N=c1\sccn1Cc1ccccc1
O=C(CCS(=O)(=O)C1CCCC1)/N=c1\sccn1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CCS(=O)(=O)C1CCCC1)/N=c1\sccn1C[*:1]
COc1ccc(O)c(/C=[NH+]/C[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 Fc1ccc(cc1)[*:1] COc1ccc(O)c(/C=[NH+]/C[C@@H](N2CCOCC2)[*:1])c1
COc1ccc(O)c(/C=[NH+]/C[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 C1CN(CCO1)[*:1] COc1ccc(O)c(/C=[NH+]/C[C@@H](c2ccc(F)cc2)[*:1])c1
C/C(=C\C(=O)[O-])CSc1ccc(N)c(C)c1 O=C([O-])[*:1] CC(=C[*:1])CSc1ccc(N)c(C)c1
CCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C CCOC(=O)[*:1] Cc1c(c(nn1-c1ccccc1)-c1ccccc1)[*:1]
CCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] CCOC(=O)c1c(nn(-c2ccccc2)c1C)[*:1]
CCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] CCOC(=O)c1c(nn(c1C)[*:1])-c1ccccc1
C[C@H](C(N)=O)N1CCc2onc(-c3cccc(F)c3)c2C1 NC(=O)[*:1] C[C@H](N1CCc2onc(-c3cccc(F)c3)c2C1)[*:1]
C[C@H](C(N)=O)N1CCc2onc(-c3cccc(F)c3)c2C1 Fc1cccc(c1)[*:1] C[C@H](C(N)=O)N1CCc2onc(c2C1)[*:1]
C[C@H](C(N)=O)N1CCc2onc(-c3cccc(F)c3)c2C1 C[C@H](C(N)=O)[*:1] Fc1cccc(c1)-c1noc2CCN(Cc12)[*:1]
Cc1ccc(SCc2cc(=O)nc(/N=C(\N)Nc3cccc(Cl)c3)[nH]2)cc1 Cc1ccc(cc1)[*:1] N/C(=N\c1nc(=O)cc(CS[*:1])[nH]1)Nc1cccc(Cl)c1
Cc1ccc(SCc2cc(=O)nc(/N=C(\N)Nc3cccc(Cl)c3)[nH]2)cc1 Cc1ccc(cc1)SC[*:1] N/C(=N\c1nc(=O)cc([nH]1)[*:1])Nc1cccc(Cl)c1
Cc1ccc(SCc2cc(=O)nc(/N=C(\N)Nc3cccc(Cl)c3)[nH]2)cc1 Cc1ccc(cc1)S[*:1] N/C(=N\c1nc(=O)cc(C[*:1])[nH]1)Nc1cccc(Cl)c1
Cc1ccc(SCc2cc(=O)nc(/N=C(\N)Nc3cccc(Cl)c3)[nH]2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)SCc1cc(=O)nc(/N=C(\N)N[*:1])[nH]1
CCC[C@@H](C[NH2+]C(C)C)[C@H](C)CC CC(C)[*:1] CCC[C@@H](C[NH2+][*:1])[C@H](C)CC
CCC[C@@H](C[NH2+]C(C)C)[C@H](C)CC CCC[*:1] CC[C@@H](C)[C@H](C[NH2+]C(C)C)[*:1]
CCC[C@@H](C[NH2+]C(C)C)[C@H](C)CC CC[C@@H](C)[*:1] CCC[C@@H](C[NH2+]C(C)C)[*:1]
Cc1ccc(N(C(=O)c2cccc(C)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)N(C(=O)[*:1])[C@@H]1C=CS(=O)(=O)C1
Cc1ccc(N(C(=O)c2cccc(C)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N([C@@H]1C=CS(=O)(=O)C1)[*:1]
CCc1nc(CSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)cs1 CCc1nc(cs1)CS[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])N1CCOCC1
CCc1nc(CSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)cs1 CCc1nc(cs1)[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCOCC1)SC[*:1]
CCc1nc(CSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)cs1 CCc1nc(cs1)C[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCOCC1)S[*:1]
CCc1nc(CSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)cs1 Cc1ccc(cc1)[*:1] CCc1nc(cs1)CSc1nnc(N2CCOCC2)n1[*:1]
CCc1nc(CSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)cs1 C1CN(CCO1)[*:1] CCc1nc(cs1)CSc1nnc(n1-c1ccc(C)cc1)[*:1]
CN(C(=O)CSc1ccccc1)c1cccc2ncccc12 c1ccc(cc1)[*:1] CN(C(=O)CS[*:1])c1cccc2ncccc12
CN(C(=O)CSc1ccccc1)c1cccc2ncccc12 c1ccc(cc1)S[*:1] CN(C(=O)C[*:1])c1cccc2ncccc12
N#Cc1cccc(C(=O)NCC#CCN2CCc3ccccc3C2)c1 N#Cc1cccc(c1)[*:1] O=C(NCC#CCN1CCc2ccccc2C1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)c2cc(C)cc(Br)c2O)C1 CC(=O)NC[*:1] Cc1cc(Br)c(O)c(c1)C(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)c2cc(C)cc(Br)c2O)C1 CC(=O)N[*:1] Cc1cc(Br)c(O)c(c1)C(=O)N1CCC[C@@H](C1)C[*:1]
CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1)C(=O)c1ccccc1Cl Clc1ccccc1[*:1] CN(CC(=O)N1N=C(C[C@H]1c1ccc(Cl)cc1)c1cccs1)C(=O)[*:1]
CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1)C(=O)c1ccccc1Cl c1csc(c1)[*:1] CN(CC(=O)N1N=C(C[C@H]1c1ccc(Cl)cc1)[*:1])C(=O)c1ccccc1Cl
CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1)C(=O)c1ccccc1Cl Clc1ccc(cc1)[*:1] CN(CC(=O)N1N=C(C[C@@H]1[*:1])c1cccs1)C(=O)c1ccccc1Cl
c1cc(N2CCC[NH+](C3CCCCC3)CC2)cc[nH+]1 c1cc(cc[nH+]1)[*:1] C1CCC(CC1)[NH+]1CCCN(CC1)[*:1]
c1cc(N2CCC[NH+](C3CCCCC3)CC2)cc[nH+]1 C1CCC(CC1)[*:1] c1cc(cc[nH+]1)N1CCC[NH+](CC1)[*:1]
O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 c1ccc2c(c1)CCC[C@H]2[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C1=NS(=O)(=O)c2ccccc21
CC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](CO)Nc1ccc(c(c1)[*:1])[N+](=O)[O-]
CC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 CC[C@H](CO)[*:1] O=[N+]([O-])c1ccc(cc1C(F)(F)F)N[*:1]
CC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 O=[N+]([O-])[*:1] CC[C@H](CO)Nc1ccc(c(c1)C(F)(F)F)[*:1]
CC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 CC[C@H](CO)N[*:1] O=[N+]([O-])c1ccc(cc1C(F)(F)F)[*:1]
O=C(NCCc1cccs1)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 c1csc(c1)CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
O=C(NCCc1cccs1)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 c1csc(c1)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
O=C(NCCc1cccs1)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 O=C(NCCc1cccs1)[*:1] O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCC[C@@H](C1)[*:1]
O=C(NCCc1cccs1)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 c1ccn(c1)[*:1] O=C(NCCc1cccs1)[C@H]1CCCN(C1)C(=O)c1cnn(-c2ccc(F)cc2)c1[*:1]
O=C(NCCc1cccs1)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 c1csc(c1)C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
O=C(NCCc1cccs1)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1 Fc1ccc(cc1)[*:1] O=C(NCCc1cccs1)[C@H]1CCCN(C1)C(=O)c1cnn(c1-n1cccc1)[*:1]
O=C(COc1cccc2ccccc12)N/N=C/CCc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1cccc2ccccc12)N/N=C/CC[*:1]
O=C(COc1cccc2ccccc12)N/N=C/CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(COc1cccc2ccccc12)NN=C[*:1]
O=C(COc1cccc2ccccc12)N/N=C/CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(COc1cccc2ccccc12)N/N=C/C[*:1]
C[NH2+][C@H](c1cccc(C)c1C)[C@H](C)OC CO[C@@H](C)[*:1] C[NH2+][C@H](c1cccc(C)c1C)[*:1]
CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CCC[C@@H]1CO CC(C)(C)[*:1] O=C(Nc1ccccc1C(=O)N1CCC[C@@H]1CO)O[*:1]
CCN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)[C@H](C)C(C)C CC(C)[*:1] CCN(C(=O)c1ccc(cc1)C(=O)Nc1ccccc1)[C@H](C)[*:1]
CCN(C(=O)c1ccc(C(=O)Nc2ccccc2)cc1)[C@H](C)C(C)C c1ccc(cc1)[*:1] CCN(C(=O)c1ccc(cc1)C(=O)N[*:1])[C@H](C)C(C)C
CCNC(=O)c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 CCNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@@H]1CCCC[C@@H]1CO
O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N[C@H]1CCCc2ccccc21 C1CO[C@@H](C1)[*:1] O=C(CSc1nnc(NC[*:1])s1)N[C@H]1CCCc2ccccc21
O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N[C@H]1CCCc2ccccc21 C1CO[C@@H](C1)C[*:1] O=C(CSc1nnc(N[*:1])s1)N[C@H]1CCCc2ccccc21
O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N[C@H]1CCCc2ccccc21 C1CO[C@@H](C1)CN[*:1] O=C(CSc1nnc(s1)[*:1])N[C@H]1CCCc2ccccc21
N#CCSCCCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 N#CCSCC[*:1] O=C(N1CCN(CC1)C[*:1])C12CC3CC(CC(C3)C1)C2
N#CCSCCCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 N#CCSC[*:1] O=C(N1CCN(CC1)CC[*:1])C12CC3CC(CC(C3)C1)C2
N#CCSCCCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 N#CC[*:1] O=C(N1CCN(CCCS[*:1])CC1)C12CC3CC(CC(C3)C1)C2
N#CCSCCCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 N#CCSCCC[*:1] O=C(N1CCN(CC1)[*:1])C12CC3CC(CC(C3)C1)C2
N#CCSCCCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 N#CCS[*:1] O=C(N1CCN(CCC[*:1])CC1)C12CC3CC(CC(C3)C1)C2
COc1cccc(C(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4cccc(C)c4C)c3n2)c1 Cc1cccc(c1C)[*:1] COc1cccc(c1)C(=O)Nc1cc(C)nn1-c1nc([O-])c2cnn(c2n1)[*:1]
COc1cccc(C(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4cccc(C)c4C)c3n2)c1 COc1cccc(c1)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc([O-])c2cnn(-c3cccc(C)c3C)c2n1
COc1cccc(C(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4cccc(C)c4C)c3n2)c1 COc1cccc(c1)C(=O)N[*:1] Cc1cc(n(n1)-c1nc([O-])c2cnn(-c3cccc(C)c3C)c2n1)[*:1]
C[C@@H]1N[C@@]2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 Fc1ccc(cc1)[*:1] C[C@@H]1N[C@@]2(C(=O)N(C[*:1])c3ccccc32)[C@H]2C(=O)N(C(=O)[C@H]12)c1cccc(Cl)c1
C[C@@H]1N[C@@]2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 Clc1cccc(c1)[*:1] C[C@@H]1N[C@@]2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)[C@H]2C(=O)N(C(=O)[C@H]12)[*:1]
C[C@@H]1N[C@@]2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 Fc1ccc(cc1)C[*:1] C[C@@H]1N[C@@]2(C(=O)N(c3ccccc32)[*:1])[C@H]2C(=O)N(C(=O)[C@H]12)c1cccc(Cl)c1
Cc1nn(Cc2ccccc2)c(C)c1Nc1c(C#N)nnc2ccccc12 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1Nc1c(C#N)nnc2ccccc12
Cc1nn(Cc2ccccc2)c(C)c1Nc1c(C#N)nnc2ccccc12 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1Nc1c(C#N)nnc2ccccc12)[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@H]2CCN(c3ccccc3)C2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)N[C@H]1CCN(C1)[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@H]2CCN(c3ccccc3)C2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)N[C@H]1CCN(C1)c1ccccc1)[*:1]
Cc1cc(C)n2nc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCCC4)c3)nc2n1 O=S(=O)(N1CCCCCC1)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Nc1ccc(C)c(c1)[*:1]
Cc1cc2ccccc2[nH+]c1N(C)Cc1ccccn1 c1ccc(nc1)[*:1] Cc1cc2ccccc2[nH+]c1N(C)C[*:1]
COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)cc1Br Cc1cccc(c1)[*:1] COc1ccc(cc1Br)S(=O)(=O)NCc1nc(no1)[*:1]
O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(C[C@H]1Nc2ccccc2OC1=O)N[*:1]
Cc1ccccc1COC1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)[*:1]
Cc1ccccc1COC1CCN(C(=O)C2CCCCC2)CC1 Cc1ccccc1[*:1] O=C(C1CCCCC1)N1CCC(CC1)OC[*:1]
Cc1nc(COc2ccc(NC(=O)c3cnn(C)c3)cc2)sc1C Cc1nc(C[*:1])sc1C Cn1cc(cn1)C(=O)Nc1ccc(cc1)O[*:1]
Cc1nc(COc2ccc(NC(=O)c3cnn(C)c3)cc2)sc1C Cn1cc(cn1)[*:1] Cc1nc(COc2ccc(cc2)NC(=O)[*:1])sc1C
Cc1nc(COc2ccc(NC(=O)c3cnn(C)c3)cc2)sc1C Cc1nc(sc1C)[*:1] Cn1cc(cn1)C(=O)Nc1ccc(cc1)OC[*:1]
O=C(Cc1ccccc1F)NNC(=O)NCCc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cc1ccccc1F)NNC(=O)NCC[*:1]
O=C(Cc1ccccc1F)NNC(=O)NCCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(Cc1ccccc1F)NNC(=O)NC[*:1]
O=C(Cc1ccccc1F)NNC(=O)NCCc1ccccc1Cl Fc1ccccc1C[*:1] O=C(NCCc1ccccc1Cl)NNC(=O)[*:1]
O=C(Cc1ccccc1F)NNC(=O)NCCc1ccccc1Cl Fc1ccccc1[*:1] O=C(C[*:1])NNC(=O)NCCc1ccccc1Cl
O=C(NC1CCCCCCC1)c1nc(N2CCCC2)ncc1Cl C1CCN(C1)[*:1] O=C(NC1CCCCCCC1)c1nc(ncc1Cl)[*:1]
CCc1cc(OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)ncn1 CC(C)(C)[*:1] CCc1cc(ncn1)OC[C@H]1CCN(C1)C(=O)O[*:1]
CC(C)CC(=O)N1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1 CC(C)C[*:1] O=C(Cc1c[nH]c2ccccc12)NC1CCN(CC1)C(=O)[*:1]
CC(C)CC(=O)N1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1 CC(C)[*:1] O=C(Cc1c[nH]c2ccccc12)NC1CCN(CC1)C(=O)C[*:1]
CN(C(=O)COC(=O)c1ccc2c(c1)CCC2)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)COC(=O)c1ccc2CCCc2c1)[*:1]
O=C(c1cccnc1)N1CCN(Cc2ccccc2Br)CC1 c1cncc(c1)[*:1] O=C(N1CCN(CC1)Cc1ccccc1Br)[*:1]
O=C(c1cccnc1)N1CCN(Cc2ccccc2Br)CC1 Brc1ccccc1[*:1] O=C(c1cccnc1)N1CCN(CC1)C[*:1]
C[C@]([NH3+])(Cc1ccccc1Br)C(=O)[O-] O=C([O-])[*:1] C[C@]([NH3+])(Cc1ccccc1Br)[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]CCc1ccco1 c1coc(c1)[*:1] C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]CC[*:1]
Cc1ncsc1C(=O)NCCOc1cccc(C(C)(C)C)c1 Cc1ncsc1[*:1] CC(C)(C)c1cccc(c1)OCCNC(=O)[*:1]
Cc1ncsc1C(=O)NCCOc1cccc(C(C)(C)C)c1 CC(C)(C)[*:1] Cc1ncsc1C(=O)NCCOc1cccc(c1)[*:1]
CCN(CCCNC(=O)N1CCN(C)c2ccccc2C1)S(C)(=O)=O CCN(C[*:1])S(C)(=O)=O CN1CCN(Cc2ccccc21)C(=O)NCC[*:1]
CCN(CCCNC(=O)N1CCN(C)c2ccccc2C1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] CN1CCN(Cc2ccccc21)C(=O)NCCC[*:1]
COc1ccc(C[C@H](C(=O)[O-])[C@@H](C)C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)C[C@H](C(=O)[O-])[C@@H](C)[*:1]
COc1ccc(C[C@H](C(=O)[O-])[C@@H](C)C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)C[C@H]([C@@H](C)C(=O)[O-])[*:1]
C[C@H](c1cccs1)N(C)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C c1csc(c1)[*:1] C[C@H](N(C)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)[*:1]
C[C@H](c1cccs1)N(C)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C C[C@H](c1cccs1)[*:1] CN(C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)[*:1]
Cc1ccc(C(=O)N2CCC(NC(=O)[C@H]3C[C@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1
Cc1ccc(C(=O)N2CCC(NC(=O)[C@H]3C[C@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[*:1]
COc1cc(C(=O)NC(C2CC2)C2CC2)ccc1OC1CCCC1 C1CCC(C1)O[*:1] COc1cc(ccc1[*:1])C(=O)NC(C1CC1)C1CC1
COc1cc(C(=O)NC(C2CC2)C2CC2)ccc1OC1CCCC1 C1CC1[*:1] COc1cc(ccc1OC1CCCC1)C(=O)NC(C1CC1)[*:1]
COc1cc(C(=O)NC(C2CC2)C2CC2)ccc1OC1CCCC1 C1CCC(C1)[*:1] COc1cc(ccc1O[*:1])C(=O)NC(C1CC1)C1CC1
COc1cc(C(=O)NC(C2CC2)C2CC2)ccc1OC1CCCC1 C1CC1C(C1CC1)[*:1] COc1cc(ccc1OC1CCCC1)C(=O)N[*:1]
C[C@H](CNC(=O)[C@H](C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](C(=O)NC[*:1])S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
C[C@H](CNC(=O)[C@H](C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC[C@@H](C)[*:1])S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
C[C@H](CNC(=O)[C@H](C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 Clc1ccc(cc1Cl)[*:1] C[C@H](CNC(=O)[C@H](C)S(=O)(=O)C[*:1])c1ccccc1
C#CC[NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C#CC[NH2+][C@@H]1CC[C@@H](C1)NC(=O)O[*:1]
O=C(CSc1ccccc1O)N[C@H]1CCc2ccccc21 Oc1ccccc1[*:1] O=C(CS[*:1])N[C@H]1CCc2ccccc21
C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@@H](Cc1cccc(Cl)c1)NC(=O)[*:1]
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc2nn(nc2cc1NC(=O)c1ccc(C)c(c1)[*:1])-c1ccc(Cl)cc1
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] Cc1cc2nn(nc2cc1NC(=O)c1ccc(C)c(c1)[N+](=O)[O-])[*:1]
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 Cc1ccc(cc1[N+](=O)[O-])[*:1] Cc1cc2nn(nc2cc1NC(=O)[*:1])-c1ccc(Cl)cc1
CNc1cc[nH+]c(NCC2CCN(c3cnn(C)c(=O)c3)CC2)n1 Cn1ncc(cc1=O)[*:1] CNc1cc[nH+]c(n1)NCC1CCN(CC1)[*:1]
C/[NH+]=C(/NCCS(=O)(=O)N1CCSCC1)NC(C)C CC(C)[*:1] C/[NH+]=C(/NCCS(=O)(=O)N1CCSCC1)N[*:1]
Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)[C@H](C#N)c1nc2ccccc2[nH]1
COc1ccc2c(c1)=C1CCN[C@H](c3c([O-])n(-c4cccc5ccccc45)c(=O)[nH]c3=O)[C@@H]1[NH+]=2 c1ccc2c(cccc2c1)[*:1] COc1ccc2=[NH+][C@@H]3C(CCN[C@@H]3c3c([O-])n(c(=O)[nH]c3=O)[*:1])=c2c1
COCCN(C)C(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc12 COCC[*:1] C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N(C)[*:1]
COCCN(C)C(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc12 COC[*:1] C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N(C)C[*:1]
CC[C@H](CO)Nc1cccc(F)c1C#N CC[C@H](CO)[*:1] N#Cc1c(F)cccc1N[*:1]
Cc1ccc(OCC(=O)N(C)Cc2ccsc2)c2c1[C@@H](C)CC2=O c1cc(cs1)[*:1] Cc1ccc(OCC(=O)N(C)C[*:1])c2C(=O)C[C@H](C)c12
Cc1ccc(OCC(=O)N(C)Cc2ccsc2)c2c1[C@@H](C)CC2=O c1cc(cs1)C[*:1] Cc1ccc(OCC(=O)N(C)[*:1])c2C(=O)C[C@H](C)c12
O=C(NNC(=O)c1cnc2ccccc2n1)c1cccnc1 c1cncc(c1)[*:1] O=C(NNC(=O)[*:1])c1cnc2ccccc2n1
CCN(Cc1cccc(C)c1)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1 CCN(CC)C(=O)[*:1] CCN(Cc1cccc(C)c1)C(=O)Nc1ccc(cc1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1 Cc1cccc(c1)C[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)N(CC)[*:1]
CCN(Cc1cccc(C)c1)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1 Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)Nc1ccc(cc1)C(=O)N(CC)CC
CCCCc1nc(CN2CC[NH2+][C@H](C(=O)[O-])C2)c(Cl)[nH]1 CCC[*:1] O=C([O-])[C@@H]1CN(CC[NH2+]1)Cc1nc(C[*:1])[nH]c1Cl
CCCCc1nc(CN2CC[NH2+][C@H](C(=O)[O-])C2)c(Cl)[nH]1 O=C([O-])[*:1] CCCCc1nc(CN2CC[NH2+][C@H](C2)[*:1])c(Cl)[nH]1
CCCCc1nc(CN2CC[NH2+][C@H](C(=O)[O-])C2)c(Cl)[nH]1 CCCC[*:1] O=C([O-])[C@@H]1CN(CC[NH2+]1)Cc1nc([nH]c1Cl)[*:1]
O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] O=C(Nc1cnn(c1)Cc1ccccc1)[C@@H]1CC(=NO1)[*:1]
O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CC(c2cccc(F)c2)=NO1 c1ccc(cc1)C[*:1] O=C(Nc1cnn(c1)[*:1])[C@@H]1CC(=NO1)c1cccc(F)c1
O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CC(c2cccc(F)c2)=NO1 c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)C[*:1])[C@@H]1CC(=NO1)c1cccc(F)c1
CCCc1ccc([C@@H](O)[C@H]2CSCCS2)cc1 CCC[*:1] O[C@H](c1ccc(cc1)[*:1])[C@H]1CSCCS1
N/C(=N\O)c1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1 N/C(=N\O)[*:1] FC(F)(F)c1cccnc1N1CCN(CC1)c1ccc(cn1)[*:1]
N/C(=N\O)c1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1 FC(F)(F)[*:1] N/C(=N\O)c1ccc(nc1)N1CCN(CC1)c1ncccc1[*:1]
COC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccoc1 COC(=O)C[*:1] Clc1ccc(cc1)CN(Cc1ccoc1)[*:1]
COC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccoc1 COC(=O)[*:1] Clc1ccc(cc1)CN(Cc1ccoc1)C[*:1]
COC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccoc1 c1cc(co1)[*:1] COC(=O)CN(Cc1ccc(Cl)cc1)C[*:1]
COC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccoc1 c1cc(co1)C[*:1] COC(=O)CN(Cc1ccc(Cl)cc1)[*:1]
Cc1ccsc1/C=N\c1c(C)n(C)n(-c2ccccc2)c1=O Cc1ccsc1[*:1] Cc1c(N=C[*:1])c(=O)n(-c2ccccc2)n1C
Cc1ccsc1/C=N\c1c(C)n(C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cc1ccsc1/C=N\c1c(C)n(C)n(c1=O)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NCCc2ccccc2F)c1 Fc1ccccc1C[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)NC[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NCCc2ccccc2F)c1 CC(=O)N(C)C[*:1] O=C(NCCc1ccccc1F)Nc1cccc(c1)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NCCc2ccccc2F)c1 CC(=O)N(C)[*:1] O=C(NCCc1ccccc1F)Nc1cccc(c1)C[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NCCc2ccccc2F)c1 Fc1ccccc1[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)NCC[*:1]
CCOc1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1OCC(=O)N1CCCCC1 CCO[*:1] O=C(COc1ccc(cc1[*:1])C(=O)N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1)N1CCCCC1
CCOc1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1OCC(=O)N1CCCCC1 O=C(C[*:1])N1CCCCC1 CCOc1cc(ccc1O[*:1])C(=O)N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
CCOc1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1OCC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CCOc1cc(ccc1OC[*:1])C(=O)N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
CCOc1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1OCC(=O)N1CCCCC1 O=C(CO[*:1])N1CCCCC1 CCOc1cc(ccc1[*:1])C(=O)N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
CCOc1ccc(CNc2ccc3c(c2)CCN3C(C)=O)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CNc1ccc2c(c1)CCN2C(C)=O
CCCn1cc(NC(=O)c2nnn[n-]2)ccc1=O CCC[*:1] O=C(Nc1ccc(=O)n(c1)[*:1])c1nnn[n-]1
Oc1ccc(CCNc2nccc(C(F)(F)F)n2)cc1 FC(F)(F)[*:1] Oc1ccc(cc1)CCNc1nccc(n1)[*:1]
CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2SCCc3sccc32)C1 CCOC(=O)N[*:1] O=C([C@H]1SCCc2sccc21)N1CCC[C@H](C1)[*:1]
CC[NH2+][C@@H](Cc1ncccc1C)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] CC[NH2+][C@@H](Cc1ncccc1C)[*:1]
O=C(NCCc1c[nH]c2ccccc12)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccccc12)C(=C[*:1])NC(=O)c1ccccc1
O=C(NCCc1c[nH]c2ccccc12)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccccc12)/C(=C/c1ccc(F)cc1)NC(=O)[*:1]
O=C(NCCc1c[nH]c2ccccc12)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1
O=C(NCCc1c[nH]c2ccccc12)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(NCCc1c[nH]c2ccccc12)C(=Cc1ccc(F)cc1)[*:1]
O=C(NCCc1c[nH]c2ccccc12)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(NC[*:1])/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1
C[NH2+][C@H](C)c1cccn1CCn1cccn1 c1cnn(c1)[*:1] C[NH2+][C@H](C)c1cccn1CC[*:1]
CCN(C(=O)Nc1ccc(F)c(C(N)=O)c1)[C@H](C)Cc1ccc(OC)cc1 NC(=O)[*:1] CCN(C(=O)Nc1ccc(F)c(c1)[*:1])[C@H](C)Cc1ccc(cc1)OC
CCN(C(=O)Nc1ccc(F)c(C(N)=O)c1)[C@H](C)Cc1ccc(OC)cc1 COc1ccc(cc1)C[*:1] CCN(C(=O)Nc1ccc(F)c(c1)C(N)=O)[C@H](C)[*:1]
CCN(C(=O)Nc1ccc(F)c(C(N)=O)c1)[C@H](C)Cc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(C(=O)Nc1ccc(F)c(c1)C(N)=O)[C@H](C)C[*:1]
Cc1c(C(=O)N[C@H](C)c2cc3ccccc3o2)[nH]c2c1C(=O)CC(C)(C)C2 c1ccc2oc(cc2c1)[*:1] Cc1c([nH]c2CC(C)(C)CC(=O)c21)C(=O)N[C@H](C)[*:1]
O=C(COC(=O)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(COC(=O)c1ccc(cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1)N[*:1]
O=C(COC(=O)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1)Nc1cc(F)ccc1F O=C(Nc1cc(F)ccc1F)[*:1] O=C(OC[*:1])c1ccc(cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1
C[C@H](C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)NCc1ccc(cc1)Sc1ccc(F)cc1)[*:1]
C[C@H](C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1)n1cncn1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)NCc1ccc(cc1)S[*:1])n1cncn1
C[C@H](C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1)n1cncn1 Fc1ccc(cc1)S[*:1] C[C@H](C(=O)NCc1ccc(cc1)[*:1])n1cncn1
CNC(=O)c1ccc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)o1 CNC(=O)[*:1] C[C@@H](c1cccc(c1)-c1ccc(o1)[*:1])[NH+]1CCCC1
COc1ccc(OC)c(/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)c1 COc1ccc(OC)c(c1)[*:1] Cc1ccc(nc1)NC(=O)c1cc2ccccc2oc1=[NH+][*:1]
COc1ccc(OC)c(/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)c1 Cc1ccc(nc1)[*:1] COc1ccc(OC)c(c1)/[NH+]=c1\oc2ccccc2cc1C(=O)N[*:1]
COc1ccc(OC)c(/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)c1 Cc1ccc(nc1)NC(=O)[*:1] COc1ccc(OC)c(c1)/[NH+]=c1\oc2ccccc2cc1[*:1]
Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNc2nc(C)cc(C)n2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1cc(C)nc(n1)NNC(=O)CCNS(=O)(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNc2nc(C)cc(C)n2)c(C)c1 Cc1cc(C)nc(n1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCCC(=O)NN[*:1]
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2)c1 CCCC(=O)N[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1ccc(Br)cc1
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2)c1 CCC[*:1] O=C(Nc1cc(ccc1Cl)NC(=O)[*:1])c1ccc(Br)cc1
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] CCCC(=O)Nc1ccc(Cl)c(c1)NC(=O)[*:1]
CCC[C@H]1CN(C(=O)c2cc3cccc(Cl)c3o2)CCO1 CCC[*:1] O=C(c1cc2cccc(Cl)c2o1)N1CCO[C@H](C1)[*:1]
Cn1ccnc1COC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 Cn1ccnc1[*:1] C[C@@]1(CCCN1C(=O)c1ccccc1)C(=O)OC[*:1]
Cn1ccnc1COC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 Cn1ccnc1C[*:1] C[C@@]1(CCCN1C(=O)c1ccccc1)C(=O)O[*:1]
Cn1ccnc1COC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1COC(=O)[C@@]1(C)CCCN1C(=O)[*:1]
CC(C)(C)C[C@H](NC(=O)NCc1ccncc1)c1ccc(F)cc1 CC(C)(C)[*:1] O=C(NCc1ccncc1)N[C@@H](C[*:1])c1ccc(F)cc1
CC(C)(C)C[C@H](NC(=O)NCc1ccncc1)c1ccc(F)cc1 CC(C)(C)C[*:1] O=C(NCc1ccncc1)N[C@H](c1ccc(F)cc1)[*:1]
CC(C)(C)C[C@H](NC(=O)NCc1ccncc1)c1ccc(F)cc1 c1cc(ccn1)[*:1] CC(C)(C)C[C@H](NC(=O)NC[*:1])c1ccc(F)cc1
CC(C)(C)C[C@H](NC(=O)NCc1ccncc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)C[C@H](NC(=O)NCc1ccncc1)[*:1]
CC(C)(C)C[C@H](NC(=O)NCc1ccncc1)c1ccc(F)cc1 c1cc(ccn1)C[*:1] CC(C)(C)C[C@H](NC(=O)N[*:1])c1ccc(F)cc1
O=C(c1ccco1)N(Cc1cccs1)c1ccccn1 c1csc(c1)[*:1] O=C(c1ccco1)N(C[*:1])c1ccccn1
O=C(c1ccco1)N(Cc1cccs1)c1ccccn1 c1coc(c1)[*:1] O=C(N(Cc1cccs1)c1ccccn1)[*:1]
O=C(c1ccco1)N(Cc1cccs1)c1ccccn1 c1csc(c1)C[*:1] O=C(c1ccco1)N(c1ccccn1)[*:1]
O=C(c1ccco1)N(Cc1cccs1)c1ccccn1 c1ccc(nc1)[*:1] O=C(c1ccco1)N(Cc1cccs1)[*:1]
C/C(NCCC1=CCCCC1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] C/C(NCCC1=CCCCC1)=C1/C(=O)NC(=O)N(C1=O)[*:1]
CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2S1 CCOC(=O)[*:1] c1ccc2S[C@@H](Cc2c1)CN1CC[NH2+]C[C@H]1[*:1]
NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2c1CCCCC2 NC(=O)[*:1] O=C(Nc1sc2CCCCCc2c1[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCCC1
NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2c1CCCCC2 O=S(=O)(N1CCCCCC1)[*:1] NC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc2CCCCCc21
CC1(C)C[C@]2(CCO1)OC(=O)C[C@@H]2C(=O)Nc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] CC1(C)C[C@]2(CCO1)OC(=O)C[C@@H]2C(=O)N[*:1]
N#CCSc1cccc(C(=O)NCC(=O)NCc2ccco2)c1 N#CCS[*:1] O=C(CNC(=O)c1cccc(c1)[*:1])NCc1ccco1
N#CCSc1cccc(C(=O)NCC(=O)NCc2ccco2)c1 N#CC[*:1] O=C(CNC(=O)c1cccc(c1)S[*:1])NCc1ccco1
N#CCSc1cccc(C(=O)NCC(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] N#CCSc1cccc(c1)C(=O)NCC(=O)N[*:1]
N#CCSc1cccc(C(=O)NCC(=O)NCc2ccco2)c1 c1coc(c1)[*:1] N#CCSc1cccc(c1)C(=O)NCC(=O)NC[*:1]
Cc1occc1C(=O)Nc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 Cc1occc1[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCC(CC1)[NH+]1CCCC1
Cc1occc1C(=O)Nc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 Cc1occc1C(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)[NH+]1CCCC1
CCOC(=O)CNC(=O)Nc1ccccc1[C@@H]1C=c2ccccc2=[NH+]1 CCOC(=O)C[*:1] O=C(Nc1ccccc1[C@@H]1C=c2ccccc2=[NH+]1)N[*:1]
CCOC(=O)CNC(=O)Nc1ccccc1[C@@H]1C=c2ccccc2=[NH+]1 CCOC(=O)[*:1] O=C(NC[*:1])Nc1ccccc1[C@@H]1C=c2ccccc2=[NH+]1
C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCS(=O)(=O)C3)c2C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)[C@@H]1CCS(=O)(=O)C1)c2C(=O)[*:1]
C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCS(=O)(=O)C3)c2C(=O)c2ccccc2)C1 O=C(c1ccccc1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)[C@@H]1CCS(=O)(=O)C1)c2[*:1]
C=C(C)[C@H]1Cc2c(ccc3c2OC[C@H](c2ccc(O)cc2O)C3)O1 C=C(C)[*:1] Oc1ccc(c(O)c1)[C@H]1COc2c(ccc3O[C@H](Cc32)[*:1])C1
C=C(C)[C@H]1Cc2c(ccc3c2OC[C@H](c2ccc(O)cc2O)C3)O1 Oc1ccc(c(O)c1)[*:1] C=C(C)[C@H]1Cc2c(ccc3C[C@@H](COc32)[*:1])O1
O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1C[*:1]
O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1[*:1]
O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccc2c(c1)OCO2 Clc1cccc(c1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](N1Cc1ccc2OCOc2c1)[*:1]
Cc1cc([C@@H](C)NC(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)s1 CN(C)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)NNC(=O)c1cccc(c1)[*:1]
Cc1cc([C@@H](C)NC(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H](NC(=O)NNC(=O)c1cccc(c1)N(C)C)[*:1]
CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N(C)[C@@H](C)c2ccncn2)CC1 CC(=O)N1CCC(CC1)[*:1] C[C@@H](c1ccncn1)N(C)C(=O)c1cc(Cl)ccc1O[*:1]
CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N(C)[C@@H](C)c2ccncn2)CC1 c1cc(ncn1)[*:1] CC(=O)N1CCC(CC1)Oc1ccc(Cl)cc1C(=O)N(C)[C@@H](C)[*:1]
CCOCCOc1ccc(N)c(N)c1 CCOC[*:1] Nc1ccc(cc1N)OC[*:1]
CCOCCOc1ccc(N)c(N)c1 CCO[*:1] Nc1ccc(cc1N)OCC[*:1]
N#C/C(=C\c1cc(F)cc(F)c1)C(N)=O NC(=O)[*:1] N#CC(=Cc1cc(F)cc(F)c1)[*:1]
CCCC[C@@H](C(=O)[O-])[C@](O)(CC)c1ccc(Cl)cc1 CCCC[*:1] CC[C@](O)(c1ccc(Cl)cc1)[C@H](C(=O)[O-])[*:1]
CCCC[C@@H](C(=O)[O-])[C@](O)(CC)c1ccc(Cl)cc1 O=C([O-])[*:1] CCCC[C@@H]([C@](O)(CC)c1ccc(Cl)cc1)[*:1]
CCCC[C@@H](C(=O)[O-])[C@](O)(CC)c1ccc(Cl)cc1 CCC[*:1] CC[C@](O)(c1ccc(Cl)cc1)[C@@H](C[*:1])C(=O)[O-]
CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 CCN(CC)S(=O)(=O)[*:1] O=C(Cc1c(F)cccc1Cl)Nc1ccc(cc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 Fc1cccc(Cl)c1[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
COC(=O)C1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 C1CCC(CC1)[*:1] COC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)C1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 COC(=O)[*:1] O=S(=O)(c1ccc(cc1)C1CCCCC1)N1CCC(CC1)[*:1]
CS[C@@H](C)C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F CS[C@@H](C)[*:1] O=C(N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)[*:1]
COc1ccc(F)cc1NC(=O)NC[C@H](O)C1CCOCC1 C1CC(CCO1)[*:1] COc1ccc(F)cc1NC(=O)NC[C@H](O)[*:1]
C=C(C)COc1ccc2nc(C)n(-c3cccc(OC)c3)c(=O)c2c1 C=C(C)C[*:1] COc1cccc(c1)-n1c(C)nc2ccc(cc2c1=O)O[*:1]
C=C(C)COc1ccc2nc(C)n(-c3cccc(OC)c3)c(=O)c2c1 COc1cccc(c1)[*:1] C=C(C)COc1ccc2nc(C)n(c(=O)c2c1)[*:1]
C=C(C)COc1ccc2nc(C)n(-c3cccc(OC)c3)c(=O)c2c1 C=C(C)[*:1] COc1cccc(c1)-n1c(C)nc2ccc(cc2c1=O)OC[*:1]
C=C(C)COc1ccc2nc(C)n(-c3cccc(OC)c3)c(=O)c2c1 C=C(C)CO[*:1] COc1cccc(c1)-n1c(C)nc2ccc(cc2c1=O)[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C)[C@@H]1CO CC(C)[*:1] CC(C)c1cccc(c1NC(=O)N1CCC[C@H](C)[C@@H]1CO)[*:1]
CSCCOC(=O)c1ccc([N+](=O)[O-])cc1 CSCC[*:1] O=C(O[*:1])c1ccc(cc1)[N+](=O)[O-]
CSCCOC(=O)c1ccc([N+](=O)[O-])cc1 CSC[*:1] O=C(OC[*:1])c1ccc(cc1)[N+](=O)[O-]
CSCCOC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CSCCOC(=O)c1ccc(cc1)[*:1]
NS(=O)(=O)c1cc(-c2nc(Cc3ccc(Cl)cc3)no2)cs1 NS(=O)(=O)[*:1] Clc1ccc(cc1)Cc1noc(n1)-c1csc(c1)[*:1]
NS(=O)(=O)c1cc(-c2nc(Cc3ccc(Cl)cc3)no2)cs1 Clc1ccc(cc1)[*:1] NS(=O)(=O)c1cc(cs1)-c1nc(C[*:1])no1
O[C@@H](CNC(c1ccccc1)c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] O[C@@H](CNC(c1ccccc1)[*:1])c1cccc(F)c1
O[C@@H](CNC(c1ccccc1)c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O[C@@H](CNC(c1ccccc1)c1ccccc1)[*:1]
C[C@@H](NC(=O)COc1ccc(F)cc1)c1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)O[*:1] C[C@@H](NC(=O)C[*:1])c1nc(no1)-c1ccc(F)cc1
C[C@@H](NC(=O)COc1ccc(F)cc1)c1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CO[*:1])c1nc(no1)-c1ccc(F)cc1
C[C@@H](NC(=O)COc1ccc(F)cc1)c1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)COc1ccc(F)cc1)c1nc(no1)[*:1]
CCOc1cc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)nc(SC)n1 CCO[*:1] CSc1nc(cc(n1)[*:1])N1CCC[C@@H](C1)N(C)C(=O)OC(C)(C)C
CCOc1cc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)nc(SC)n1 CC(C)(C)[*:1] CCOc1cc(nc(n1)SC)N1CCC[C@@H](C1)N(C)C(=O)O[*:1]
COc1cc(C(=O)NC2(C(=O)[O-])CCCCC2)cc2c1OCCO2 O=C([O-])[*:1] COc1cc(cc2OCCOc12)C(=O)NC1(CCCCC1)[*:1]
COc1ccc(N)c(C(=O)NCCCC(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] COc1ccc(N)c(c1)C(=O)NCCC[*:1]
COc1ccc(N)c(C(=O)NCCCC(=O)NC2CC2)c1 O=C(C[*:1])NC1CC1 COc1ccc(N)c(c1)C(=O)NCC[*:1]
COc1ccc(N)c(C(=O)NCCCC(=O)NC2CC2)c1 C1CC1[*:1] COc1ccc(N)c(c1)C(=O)NCCCC(=O)N[*:1]
COc1ccc(-n2ccc(C(=O)N3CCC[C@H]3c3ccccc3OC)n2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-n1ccc(n1)C(=O)N1CCC[C@@H]1[*:1]
COc1ccc(-n2ccc(C(=O)N3CCC[C@H]3c3ccccc3OC)n2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)c1ccn(n1)[*:1]
CC(C)S(=O)(=O)CC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] CC(C)S(=O)(=O)CC(=O)N[C@H](C[*:1])c1ccc(F)cc1
CC(C)S(=O)(=O)CC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)S(=O)(=O)CC(=O)N[C@H](CC(F)(F)F)[*:1]
CC(C)S(=O)(=O)CC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] CC(C)S(=O)(=O)CC(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC(C)S(=O)(=O)CC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 CC(C)[*:1] O=C(CS(=O)(=O)[*:1])N[C@H](CC(F)(F)F)c1ccc(F)cc1
CC(C)S(=O)(=O)CC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 CC(C)S(=O)(=O)[*:1] O=C(C[*:1])N[C@H](CC(F)(F)F)c1ccc(F)cc1
CC(C)S(=O)(=O)CC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 CC(C)S(=O)(=O)C[*:1] O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
CCC[NH2+][C@@H](CCc1ccsc1)[C@H]1CSCCS1 CCC[*:1] c1cc(cs1)CC[C@H]([NH2+][*:1])[C@H]1CSCCS1
CCC[NH2+][C@@H](CCc1ccsc1)[C@H]1CSCCS1 c1cc(cs1)C[*:1] CCC[NH2+][C@@H](C[*:1])[C@H]1CSCCS1
CCC[NH2+][C@@H](CCc1ccsc1)[C@H]1CSCCS1 c1cc(cs1)[*:1] CCC[NH2+][C@@H](CC[*:1])[C@H]1CSCCS1
CC(C)n1cc(/C([O-])=N/c2nc3ccc(Cl)cc3s2)c(=O)c2cc(Cl)ccc21 CC(C)[*:1] O=c1c(cn(c2ccc(Cl)cc12)[*:1])/C([O-])=N/c1nc2ccc(Cl)cc2s1
Cc1nc(N(C)C)ncc1C(=O)NCCn1nc(C(F)(F)F)cc1C CN(C)[*:1] Cc1nc(ncc1C(=O)NCCn1nc(cc1C)C(F)(F)F)[*:1]
Cc1nc(N(C)C)ncc1C(=O)NCCn1nc(C(F)(F)F)cc1C FC(F)(F)[*:1] Cc1nc(ncc1C(=O)NCCn1nc(cc1C)[*:1])N(C)C
C[C@H]1CC(=O)N(CC(C)(C)S(C)(=O)=O)[C@H](C)[C@@H]1C(=O)[O-] CS(=O)(=O)[*:1] C[C@H]1CC(=O)N(CC(C)(C)[*:1])[C@H](C)[C@@H]1C(=O)[O-]
C[C@H]1CC(=O)N(CC(C)(C)S(C)(=O)=O)[C@H](C)[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H]1CC(=O)N(CC(C)(C)S(C)(=O)=O)[C@H](C)[C@H]1[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)/N=C3/NCCS3)C2)cc1 COc1ccc(cc1)[*:1] O=C(/N=C1/NCCS1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1C c1ccc(cc1)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)c1cnn(c1C)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1C CCC[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N[C@H]1C[C@H]1[*:1]
Cc1cc(NC(=O)CCc2nc(-c3ccncc3)no2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(CCc1nc(no1)-c1ccncc1)N[*:1]
Cc1cc(NC(=O)CCc2nc(-c3ccncc3)no2)ccc1Br c1cc(ccn1)[*:1] Cc1cc(ccc1Br)NC(=O)CCc1nc(no1)[*:1]
C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CSCC(C)(C)C1 CS(=O)(=O)C[*:1] C[C@H]([NH2+][C@H]1CSCC(C)(C)C1)[*:1]
C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CSCC(C)(C)C1 CS(=O)(=O)[*:1] C[C@H](C[*:1])[NH2+][C@H]1CSCC(C)(C)C1
O=C(Cn1nc2ccccc2n1)N1CCC2(CC1)Nc1ccccc1NC2=O c1ccc2nn(nc2c1)[*:1] O=C(C[*:1])N1CCC2(CC1)Nc1ccccc1NC2=O
COc1ccc(OC)c(-c2ccc(SCC(=O)NC(C)C)nn2)c1 CC(C)[*:1] COc1ccc(OC)c(c1)-c1ccc(nn1)SCC(=O)N[*:1]
COc1ccc(OC)c(-c2ccc(SCC(=O)NC(C)C)nn2)c1 CC(C)NC(=O)[*:1] COc1ccc(OC)c(c1)-c1ccc(nn1)SC[*:1]
COc1ccc(OC)c(-c2ccc(SCC(=O)NC(C)C)nn2)c1 CC(C)NC(=O)C[*:1] COc1ccc(OC)c(c1)-c1ccc(nn1)S[*:1]
COc1ccc(OC)c(-c2ccc(SCC(=O)NC(C)C)nn2)c1 CC(C)NC(=O)CS[*:1] COc1ccc(OC)c(c1)-c1ccc(nn1)[*:1]
O=C(CCc1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)C[*:1] O=C(CCc1ccccc1)N([C@@H]1CCSC1)[*:1]
O=C(CCc1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 c1ccc(cc1)C[*:1] O=C(C[*:1])N(C[C@H]1CCCO1)[C@@H]1CCSC1
O=C(CCc1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 c1ccc(cc1)[*:1] O=C(CC[*:1])N(C[C@H]1CCCO1)[C@@H]1CCSC1
O=C(CCc1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)[*:1] O=C(CCc1ccccc1)N(C[*:1])[C@@H]1CCSC1
C[C@@H]1CN(C(=O)CSCC(F)(F)F)c2cc(F)ccc2C(=O)N1 FC(F)(F)C[*:1] C[C@@H]1CN(C(=O)CS[*:1])c2cc(F)ccc2C(=O)N1
C[C@@H]1CN(C(=O)CSCC(F)(F)F)c2cc(F)ccc2C(=O)N1 FC(F)(F)CSC[*:1] C[C@@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
C[C@@H]1CN(C(=O)CSCC(F)(F)F)c2cc(F)ccc2C(=O)N1 FC(F)(F)[*:1] C[C@@H]1CN(C(=O)CSC[*:1])c2cc(F)ccc2C(=O)N1
C[C@@H]1CN(C(=O)CSCC(F)(F)F)c2cc(F)ccc2C(=O)N1 FC(F)(F)CS[*:1] C[C@@H]1CN(C(=O)C[*:1])c2cc(F)ccc2C(=O)N1
Cc1nonc1CC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1 Cc1nonc1C[*:1] O=C(Nc1ccc(cc1)-c1ccn[nH]1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1nonc1CC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1 c1cc([nH]n1)[*:1] Cc1nonc1CC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(cc1)[*:1]
Cc1nonc1CC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1 Cc1nonc1[*:1] O=C(Nc1ccc(cc1)-c1ccn[nH]1)[C@H]1CCCN(C1)C(=O)C[*:1]
CC(C)(C)NC(=O)NCC1(c2cccs2)CCCC1 c1csc(c1)[*:1] CC(C)(C)NC(=O)NCC1(CCCC1)[*:1]
CC(C)(C)NC(=O)NCC1(c2cccs2)CCCC1 CC(C)(C)[*:1] O=C(NCC1(CCCC1)c1cccs1)N[*:1]
C[C@@H](CCC1CCCC1)NC(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 C1CCC(C1)[*:1] C[C@@H](CC[*:1])NC(=O)N1CCC(CC1)NC(=O)c1cnn(C)c1
C[C@@H](CCC1CCCC1)NC(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 C1CCC(C1)CC[*:1] C[C@@H](NC(=O)N1CCC(CC1)NC(=O)c1cnn(C)c1)[*:1]
C[C@@H](CCC1CCCC1)NC(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 Cn1cc(cn1)C(=O)N[*:1] C[C@@H](CCC1CCCC1)NC(=O)N1CCC(CC1)[*:1]
C[C@@H](CCC1CCCC1)NC(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] C[C@@H](CCC1CCCC1)NC(=O)N1CCC(CC1)NC(=O)[*:1]
C[C@@H](CCC1CCCC1)NC(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 C1CCC(C1)C[*:1] C[C@@H](C[*:1])NC(=O)N1CCC(CC1)NC(=O)c1cnn(C)c1
CSc1ccc(Cl)c(C(=O)OCC(=O)/C(C#N)=C(\C)N)c1 CC(N)=C(C#N)[*:1] CSc1ccc(Cl)c(c1)C(=O)OCC(=O)[*:1]
COC(=O)c1cccc2c1[S@](=O)OC2(c1ccccc1)c1ccccc1 COC(=O)[*:1] O=[S@@]1OC(c2ccccc2)(c2ccccc2)c2cccc(c21)[*:1]
COC(=O)c1cccc2c1[S@](=O)OC2(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1cccc2c1[S@](=O)OC2(c1ccccc1)[*:1]
Cc1nnc2sc(SCC(=O)NCCc3ccccc3)nn2c1=O c1ccc(cc1)CC[*:1] Cc1nnc2sc(nn2c1=O)SCC(=O)N[*:1]
Cc1nnc2sc(SCC(=O)NCCc3ccccc3)nn2c1=O c1ccc(cc1)[*:1] Cc1nnc2sc(nn2c1=O)SCC(=O)NCC[*:1]
Cc1nnc2sc(SCC(=O)NCCc3ccccc3)nn2c1=O c1ccc(cc1)C[*:1] Cc1nnc2sc(nn2c1=O)SCC(=O)NC[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Nc2ccccc2)c1 c1ccc(cc1)[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(c1)N[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Nc2ccccc2)c1 c1ccc(cc1)N[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Nc2ccccc2)c1 CCC[*:1] O=C(Nc1cccc(c1)Nc1ccccc1)[C@H]1CCCN1C(=O)[*:1]
O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)c1 O=[N+]([O-])c1cccc(c1)[*:1] c1ccc2nc3c(nc(n3-c3ccc4OCCOc4c3)[*:1])nc2c1
O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)c1 c1cc2OCCOc2cc1[*:1] O=[N+]([O-])c1cccc(c1)-c1nc2nc3ccccc3nc2n1[*:1]
O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)c1 O=[N+]([O-])[*:1] c1cc(cc(c1)[*:1])-c1nc2nc3ccccc3nc2n1-c1ccc2OCCOc2c1
Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n1 O=[N+]([O-])[*:1] Cc1cccc(n1)NC(=O)c1cc(c[nH]c1=O)[*:1]
O=S(=O)(NCCC1CCCC1)c1ccc2oc3ccccc3c2c1 C1CCC(C1)[*:1] O=S(=O)(NCC[*:1])c1ccc2oc3ccccc3c2c1
O=S(=O)(NCCC1CCCC1)c1ccc2oc3ccccc3c2c1 C1CCC(C1)CC[*:1] O=S(=O)(N[*:1])c1ccc2oc3ccccc3c2c1
O=S(=O)(NCCC1CCCC1)c1ccc2oc3ccccc3c2c1 C1CCC(C1)C[*:1] O=S(=O)(NC[*:1])c1ccc2oc3ccccc3c2c1
Cc1nnc2ccc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nn12 Clc1ccc(cc1)OC[*:1] Cc1nnc2ccc(nn12)-c1cccc(c1)NC(=O)[*:1]
Cc1nnc2ccc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nn12 Clc1ccc(cc1)O[*:1] Cc1nnc2ccc(nn12)-c1cccc(c1)NC(=O)C[*:1]
Cc1nnc2ccc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nn12 Clc1ccc(cc1)[*:1] Cc1nnc2ccc(nn12)-c1cccc(c1)NC(=O)CO[*:1]
COc1ccc(S(=O)(=O)/N=C(\[O-])[C@H]2C[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)/N=C(\[O-])[C@H]1C[C@H]1[*:1]
Cc1ccc(NC(=O)NCc2cccs2)cc1O[C@H]1CCOC1 c1csc(c1)C[*:1] Cc1ccc(cc1O[C@H]1CCOC1)NC(=O)N[*:1]
Cc1ccc(NC(=O)NCc2cccs2)cc1O[C@H]1CCOC1 c1csc(c1)[*:1] Cc1ccc(cc1O[C@H]1CCOC1)NC(=O)NC[*:1]
Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccco2)c1 Cc1cc(C)cc(c1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1c1ccco1)OC(=O)CO[*:1]
Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccco2)c1 Cc1cc(C)cc(c1)OC[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1c1ccco1)OC(=O)[*:1]
Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccco2)c1 Cc1cc(C)cc(c1)O[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1c1ccco1)OC(=O)C[*:1]
Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccco2)c1 c1coc(c1)[*:1] Cc1cc(C)cc(c1)OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2[*:1]
CC(C)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1 Cn1ccnc1[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N[C@@H](c1ccccc1F)[*:1]
CC(C)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1 CC(C)[*:1] Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1ccccc1F
CC(C)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1 CC(C)c1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NS(=O)(=O)[*:1])c1ccccc1F
CC(C)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1 Fc1ccccc1[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N[C@@H](c1nccn1C)[*:1]
COc1ccccc1CN1CCc2c(nc([C@@H]3CCN(C(=O)c4cccnc4)C3)[nH]c2=O)C1 COc1ccccc1[*:1] O=C(c1cccnc1)N1CC[C@H](C1)c1nc2CN(CCc2c(=O)[nH]1)C[*:1]
COc1ccccc1CN1CCc2c(nc([C@@H]3CCN(C(=O)c4cccnc4)C3)[nH]c2=O)C1 COc1ccccc1C[*:1] O=C(c1cccnc1)N1CC[C@H](C1)c1nc2CN(CCc2c(=O)[nH]1)[*:1]
COc1ccccc1CN1CCc2c(nc([C@@H]3CCN(C(=O)c4cccnc4)C3)[nH]c2=O)C1 c1cncc(c1)[*:1] COc1ccccc1CN1CCc2c(C1)nc([nH]c2=O)[C@@H]1CCN(C1)C(=O)[*:1]
Nc1nc(NCC2(c3ccccc3)CC2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(ncc1[*:1])NCC1(CC1)c1ccccc1
Nc1nc(NCC2(c3ccccc3)CC2)ncc1[N+](=O)[O-] c1ccc(cc1)[*:1] Nc1nc(ncc1[N+](=O)[O-])NCC1(CC1)[*:1]
NC(=O)[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H]([NH2+]Cc1cccc2OCCCOc12)[*:1]
NC(=O)[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1 NC(=O)[*:1] c1ccc(cc1)[C@H]([NH2+]Cc1cccc2OCCCOc12)[*:1]
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C CC(C)(C)C(=O)N[*:1] Cc1ccc(cc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)[*:1]
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)NC(=O)[*:1]
Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)Cc1c(C)nn(c1C)[*:1])NC(=O)C(C)(C)C
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)CN1 c1ccc(cc1)[*:1] COC(=O)[C@@H]1C[C@@H](CN1)OC(=O)[*:1]
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)CN1 COC(=O)[*:1] O=C(O[C@@H]1CN[C@@H](C1)[*:1])c1ccccc1
COC(=O)C[C@H]1CSCCN1Cc1cnc2ccsc2c1 COC(=O)C[*:1] c1cc2ncc(cc2s1)CN1CCSC[C@@H]1[*:1]
COC(=O)C[C@H]1CSCCN1Cc1cnc2ccsc2c1 COC(=O)[*:1] c1cc2ncc(cc2s1)CN1CCSC[C@@H]1C[*:1]
C[C@H](NC(=O)[C@@H](C)S(=O)(=O)Cc1noc(C2CC2)n1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)S(=O)(=O)Cc1noc(n1)C1CC1)[*:1]
C[C@H](NC(=O)[C@@H](C)S(=O)(=O)Cc1noc(C2CC2)n1)c1ccc(Cl)cc1 C1CC1c1nc(no1)[*:1] C[C@H](NC(=O)[C@@H](C)S(=O)(=O)C[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)[C@@H](C)S(=O)(=O)Cc1noc(C2CC2)n1)c1ccc(Cl)cc1 C1CC1[*:1] C[C@H](NC(=O)[C@@H](C)S(=O)(=O)Cc1noc(n1)[*:1])c1ccc(Cl)cc1
C/C(=N\NC(=O)c1ccccc1Cl)c1ccc(C)o1 Cc1ccc(o1)[*:1] CC(=NNC(=O)c1ccccc1Cl)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C#N)c1 CC(=O)N[*:1] N#Cc1cccc(c1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CN(C[C@H](O)C1CC1)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] C1CC1[*:1] CN(C[C@H](O)[*:1])c1cc(Cl)c(cc1[N+](=O)[O-])C(F)(F)F
CN(C[C@H](O)C1CC1)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C[C@H](O)C1CC1)c1cc(Cl)c(cc1[*:1])C(F)(F)F
CN(C[C@H](O)C1CC1)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] CN(C[C@H](O)C1CC1)c1cc(Cl)c(cc1[N+](=O)[O-])[*:1]
CC[C@H](CO)NC(=O)Nc1ccc(C)s1 CC[C@H](CO)[*:1] Cc1ccc(NC(=O)N[*:1])s1
CCCNC(=O)CN1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 CCCNC(=O)C[*:1] c1cncc(c1)-c1nc(c2ccccc2n1)N1CCN(CC1)[*:1]
CCCNC(=O)CN1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 c1cncc(c1)[*:1] CCCNC(=O)CN1CCN(CC1)c1nc(nc2ccccc12)[*:1]
CCCNC(=O)CN1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 CCC[*:1] O=C(CN1CCN(CC1)c1nc(nc2ccccc12)-c1cccnc1)N[*:1]
CCCNC(=O)CN1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 CCCNC(=O)[*:1] c1cncc(c1)-c1nc(c2ccccc2n1)N1CCN(CC1)C[*:1]
CCS(=O)(=O)N(CC1CC[NH2+]CC1)C(C)C CC(C)[*:1] CCS(=O)(=O)N(CC1CC[NH2+]CC1)[*:1]
CC(=O)N[C@H](C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(=O)N[C@H](C)C(=O)Nc1cc(cc(c1)[*:1])C(F)(F)F
CC(=O)N[C@H](C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 CC(=O)N[*:1] C[C@H](C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[*:1]
CC(=O)N[C@H](C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 CC(=O)N[C@H](C)[*:1] O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[*:1]
CC1(C)NC(=O)N(CCCC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)C1=O CC1(C)NC(=O)N(C1=O)[*:1] O=C(CCC[*:1])N1CCN(CC1)Cc1nc2ccccc2s1
CC1(C)NC(=O)N(CCCC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)C1=O c1ccc2sc(C[*:1])nc2c1 CC1(C)NC(=O)N(CCCC(=O)N2CCN(CC2)[*:1])C1=O
CC1(C)NC(=O)N(CCCC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)C1=O CC1(C)NC(=O)N(C[*:1])C1=O O=C(CC[*:1])N1CCN(CC1)Cc1nc2ccccc2s1
CC1(C)NC(=O)N(CCCC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)C1=O c1ccc2sc(nc2c1)[*:1] CC1(C)NC(=O)N(CCCC(=O)N2CCN(CC2)C[*:1])C1=O
Cc1ccccc1OCCn1c(S(=O)(=O)[O-])nc2c(N)ncnc21 Cc1ccccc1O[*:1] Nc1ncnc2c1nc(n2CC[*:1])S(=O)(=O)[O-]
Cc1ccccc1OCCn1c(S(=O)(=O)[O-])nc2c(N)ncnc21 Cc1ccccc1[*:1] Nc1ncnc2c1nc(n2CCO[*:1])S(=O)(=O)[O-]
Cc1ccccc1OCCn1c(S(=O)(=O)[O-])nc2c(N)ncnc21 O=S(=O)([O-])[*:1] Cc1ccccc1OCCn1c(nc2c(N)ncnc21)[*:1]
CC(C)(C)[C@@H](O)CCNC(=O)c1cccc(C#N)c1 CC(C)(C)[C@@H](O)[*:1] N#Cc1cccc(c1)C(=O)NCC[*:1]
CC(C)(C)[C@@H](O)CCNC(=O)c1cccc(C#N)c1 CC(C)(C)[*:1] N#Cc1cccc(c1)C(=O)NCC[C@H](O)[*:1]
C=CCCC(=O)N1CCCSc2ccc(Cl)cc21 C=CCC[*:1] O=C(N1CCCSc2ccc(Cl)cc21)[*:1]
C=CCCC(=O)N1CCCSc2ccc(Cl)cc21 C=CC[*:1] O=C(C[*:1])N1CCCSc2ccc(Cl)cc21
CCN[C@]1(C(=O)OC)CC[C@@H](n2nc(C)c(Br)c2C)C1 CCN[*:1] COC(=O)[C@@]1(CC[C@H](C1)n1nc(C)c(Br)c1C)[*:1]
CCN[C@]1(C(=O)OC)CC[C@@H](n2nc(C)c(Br)c2C)C1 COC(=O)[*:1] CCN[C@@]1(CC[C@H](C1)n1nc(C)c(Br)c1C)[*:1]
C[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1CC1CCOCC1 C1CC(CCO1)[*:1] C[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C[*:1]
Cc1ccccc1C(=O)NCC(=O)Nc1nc2c(s1)COCC2 Cc1ccccc1[*:1] O=C(CNC(=O)[*:1])Nc1nc2CCOCc2s1
CSc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2cc[nH]n2)cc1 CC(C)C[*:1] CSc1ccc(cc1)C(=O)N[C@@H](C(=O)Nc1cc[nH]n1)[*:1]
CSc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2cc[nH]n2)cc1 CSc1ccc(cc1)[*:1] CC(C)C[C@H](NC(=O)[*:1])C(=O)Nc1cc[nH]n1
CSc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2cc[nH]n2)cc1 CC(C)[*:1] CSc1ccc(cc1)C(=O)N[C@@H](C[*:1])C(=O)Nc1cc[nH]n1
CSc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2cc[nH]n2)cc1 O=C(Nc1cc[nH]n1)[*:1] CSc1ccc(cc1)C(=O)N[C@@H](CC(C)C)[*:1]
C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)Cn1cc(C)c(=O)[nH]c1=O C=CC[*:1] C=CC[C@H]1CC(C)=C[C@@H](N1C(=O)Cn1cc(C)c(=O)[nH]c1=O)[*:1]
C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)Cn1cc(C)c(=O)[nH]c1=O C=CC[*:1] C=CC[C@H]1C=C(C)C[C@H](N1C(=O)Cn1cc(C)c(=O)[nH]c1=O)[*:1]
COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c(OC)c2c1OCO2 O=C([O-])[*:1] COc1cc(c(OC)c2OCOc12)[C@@H]1CC(=O)Nc2c(cn(-c3ccc(F)cc3)c21)[*:1]
COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c(OC)c2c1OCO2 Fc1ccc(cc1)[*:1] COc1cc(c(OC)c2OCOc12)[C@@H]1CC(=O)Nc2c(cn(c21)[*:1])C(=O)[O-]
C[C@@H](C(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1)n1cncn1 c1cc(cs1)-c1nc(cs1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)C[*:1])n1cncn1
C[C@@H](C(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1)n1cncn1 c1ncn(n1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)Cc1csc(n1)-c1ccsc1)[*:1]
C[C@@H](C(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1)n1cncn1 c1cc(cs1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)Cc1csc(n1)[*:1])n1cncn1
CCOC(=O)/C=C1\NCCCN1Cc1ccccc1Cl CCOC(=O)[*:1] Clc1ccccc1CN1CCCNC1=C[*:1]
CCC/C([O-])=C1\C(=O)[C@H](C(=O)OC)C(C)(C)C\C1=N/c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCC/C([O-])=C1\C(=O)[C@H](C(=O)OC)C(C)(C)CC1=N[*:1]
CCC/C([O-])=C1\C(=O)[C@H](C(=O)OC)C(C)(C)C\C1=N/c1ccc(OC)cc1 CCC[*:1] COC(=O)[C@H]1C(=O)C(/C(CC1(C)C)=N/c1ccc(cc1)OC)=C(/[O-])[*:1]
CCC/C([O-])=C1\C(=O)[C@H](C(=O)OC)C(C)(C)C\C1=N/c1ccc(OC)cc1 COC(=O)[*:1] CCC/C([O-])=C1\C(=O)[C@H](C(C)(C)C\C1=N/c1ccc(cc1)OC)[*:1]
COc1c(C)cc(Br)cc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1c(C)cc(Br)cc1C(=O)Nc1ccc(O)c(c1)[*:1]
C[C@H]1C[C@H]1NC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 Clc1ccc(cc1)[*:1] C[C@H]1C[C@H]1NC(=O)NC[C@@H](n1cccn1)[*:1]
C[C@H]1C[C@H]1NC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 c1cnn(c1)[*:1] C[C@H]1C[C@H]1NC(=O)NC[C@@H](c1ccc(Cl)cc1)[*:1]
C[C@H]1C[C@H]1NC(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 C[C@H]1C[C@@H]1[*:1] O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)N[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 C1CC1[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 CC(C)[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)c1cc(nc2c1cnn2[*:1])C1CC1
CCN(CC)C(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 CCN(CC)C(=O)[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)Nc1cccc(c1)[*:1]
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] O=C(Cn1cc(ccc1=O)[N+](=O)[O-])Nc1cc(ccc1Cl)[*:1]
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(C(F)(F)F)ccc1Cl O=[N+]([O-])[*:1] O=C(Cn1cc(ccc1=O)[*:1])Nc1cc(ccc1Cl)C(F)(F)F
C[C@@H]1CC(=O)NCCN1c1nn2cc(C(C)(C)C)nc2s1 CC(C)(C)[*:1] C[C@@H]1CC(=O)NCCN1c1nn2cc(nc2s1)[*:1]
Cc1ccc2c(c1)c1ncnc(N3CCCC3)c1n2C C1CCN(C1)[*:1] Cc1ccc2c(c1)c1ncnc(c1n2C)[*:1]
CC(C)[NH2+]C[C@H]1CCO[C@@H]1c1cccc(Br)c1 CC(C)[*:1] Brc1cccc(c1)[C@H]1OCC[C@@H]1C[NH2+][*:1]
COc1ccccc1-c1ccc(N(C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)nn1 COc1ccccc1[*:1] CN(C[C@@H]1CC(=O)N(C1)C(C)(C)C)c1ccc(nn1)[*:1]
COc1ccccc1-c1ccc(N(C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)nn1 CC(C)(C)[*:1] COc1ccccc1-c1ccc(nn1)N(C)C[C@@H]1CC(=O)N(C1)[*:1]
C=C(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccc(F)cc1 C=C(C)C(=O)N[*:1] Fc1ccc(cc1)Cn1c(CCC[*:1])nc2ccccc21
C=C(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccc(F)cc1 C=C(C)C(=O)NC[*:1] Fc1ccc(cc1)Cn1c(CC[*:1])nc2ccccc21
C=C(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccc(F)cc1 C=C(C)C(=O)NCC[*:1] Fc1ccc(cc1)Cn1c(C[*:1])nc2ccccc21
C=C(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C=C(C)C(=O)NCCCc1nc2ccccc2n1[*:1]
C=C(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C=C(C)C(=O)NCCCc1nc2ccccc2n1C[*:1]
C=C(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccc(F)cc1 C=C(C)[*:1] O=C(NCCCc1nc2ccccc2n1Cc1ccc(F)cc1)[*:1]
C[n+]1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 C[n+]1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2[*:1]
O=C(NCc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCC4=c5ccccc5=[NH+]C4)C(=O)[C@@H]13)O2 O=C(NCc1ccccc1)[*:1] O=C1[C@H]2[C@@H]([C@@H]3C=C[C@@]2(CN1CCC1C[NH+]=c2ccccc2=1)O3)[*:1]
O=C(NCc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCC4=c5ccccc5=[NH+]C4)C(=O)[C@@H]13)O2 c1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1[C@@H]2C=C[C@@]3(CN(CCC4C[NH+]=c5ccccc5=4)C(=O)[C@@H]13)O2
O=C(NCc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCC4=c5ccccc5=[NH+]C4)C(=O)[C@@H]13)O2 c1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1[C@@H]2C=C[C@@]3(CN(CCC4C[NH+]=c5ccccc5=4)C(=O)[C@@H]13)O2
CCOC(=O)C1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
CCOC(=O)C1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)CC1 CCOC(=O)[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCC(CC1)[*:1]
CN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] CN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(cc1)[*:1]
CN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 Fc1ccc(cc1F)C[*:1] CN(C(=O)NCc1ccc(cc1)C(=O)N1CCCCC1)[*:1]
CN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 Fc1ccc(cc1F)[*:1] CN(C[*:1])C(=O)NCc1ccc(cc1)C(=O)N1CCCCC1
C[C@H](CSc1ccc([N+](=O)[O-])cc1)/C(N)=N/O O=[N+]([O-])[*:1] C[C@H](CSc1ccc(cc1)[*:1])/C(N)=N/O
C[C@H](CSc1ccc([N+](=O)[O-])cc1)/C(N)=N/O N/C(=N\O)[*:1] C[C@H](CSc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1cccc(NC(=O)c2ccc(NC(N)=O)cc2)c1 NC(=O)N[*:1] Cc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(=O)Nc1ccon1 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)NCC(=O)Nc1ccon1
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(=O)Nc1ccon1 c1cc(no1)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC(=O)N[*:1]
CSc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(C)s3)c(N3CCCC3)nc2c1 Cc1ccc(s1)[*:1] CSc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)[*:1])c(nc2c1)N1CCCC1
CSc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(C)s3)c(N3CCCC3)nc2c1 C1CCN(C1)[*:1] CSc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(C)s3)c(nc2c1)[*:1]
CC(C)CC[C@@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 CC(C)C[*:1] [NH3+][C@H](C[*:1])[C@@H]1CCOC2(CCOCC2)C1
CC(C)CC[C@@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 CC(C)[*:1] [NH3+][C@H](CC[*:1])[C@@H]1CCOC2(CCOCC2)C1
CC(C)CC[C@@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 CC(C)CC[*:1] [NH3+][C@@H]([C@@H]1CCOC2(CCOCC2)C1)[*:1]
C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)NC1CCSCC1 C1CC(CCS1)[*:1] C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)N[*:1]
C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)NC1CCSCC1 O=C(NC1CCSCC1)[*:1] C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC[*:1]
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2cccc(Cl)c2Cl)nn1 Clc1cccc(c1Cl)[*:1] COc1ccc(nn1)-n1nc(C)c2c1N=C(O)C[C@@H]2[*:1]
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2cccc(Cl)c2Cl)nn1 COc1ccc(nn1)[*:1] Cc1nn(c2N=C(O)C[C@@H](c3cccc(Cl)c3Cl)c12)[*:1]
C=CCn1c(CC)nnc1SCc1ccccn1 c1ccc(nc1)[*:1] C=CCn1c(CC)nnc1SC[*:1]
C=CCn1c(CC)nnc1SCc1ccccn1 C=CC[*:1] CCc1nnc(SCc2ccccn2)n1[*:1]
COCCN(C(C)=O)c1nc(Cn2nc(C(C)(C)C)ccc2=O)cs1 CC(C)(C)[*:1] COCCN(C(C)=O)c1nc(cs1)Cn1nc(ccc1=O)[*:1]
COCCN(C(C)=O)c1nc(Cn2nc(C(C)(C)C)ccc2=O)cs1 COCCN(C(C)=O)[*:1] CC(C)(C)c1ccc(=O)n(Cc2csc(n2)[*:1])n1
COCCN(C(C)=O)c1nc(Cn2nc(C(C)(C)C)ccc2=O)cs1 COCC[*:1] CC(=O)N(c1nc(cs1)Cn1nc(ccc1=O)C(C)(C)C)[*:1]
COCCN(C(C)=O)c1nc(Cn2nc(C(C)(C)C)ccc2=O)cs1 COC[*:1] CC(=O)N(C[*:1])c1nc(cs1)Cn1nc(ccc1=O)C(C)(C)C
Cc1ccc(CNC(=O)Cn2ccc3ncccc3c2=O)o1 Cc1ccc(C[*:1])o1 O=C(Cn1ccc2ncccc2c1=O)N[*:1]
Cc1ccc(CNC(=O)Cn2ccc3ncccc3c2=O)o1 Cc1ccc(o1)[*:1] O=C(Cn1ccc2ncccc2c1=O)NC[*:1]
COCCCOC(=O)c1ccc(-n2cc(C)cn2)cc1 COCCC[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)O[*:1]
COCCCOC(=O)c1ccc(-n2cc(C)cn2)cc1 COCC[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)OC[*:1]
COCCCOC(=O)c1ccc(-n2cc(C)cn2)cc1 COC[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)OCC[*:1]
COCCCOC(=O)c1ccc(-n2cc(C)cn2)cc1 Cc1cnn(c1)[*:1] COCCCOC(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H]2CCOC(C)(C)C2)C3)s1 CC(=O)[*:1] CC1(C)C[C@@H](CCO1)C(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(s3)[*:1])c2O1
CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H]2CCOC(C)(C)C2)C3)s1 CC(=O)c1ccc(s1)[*:1] CC1(C)C[C@@H](CCO1)C(=O)NC[C@@H]1Cc2cc(F)cc(c2O1)[*:1]
CCOC(=O)CNC1(c2nc(C)cs2)CCCC1 CCOC(=O)C[*:1] Cc1csc(n1)C1(CCCC1)N[*:1]
CCOC(=O)CNC1(c2nc(C)cs2)CCCC1 CCOC(=O)[*:1] Cc1csc(n1)C1(CCCC1)NC[*:1]
CCOC(=O)CNC1(c2nc(C)cs2)CCCC1 Cc1csc(n1)[*:1] CCOC(=O)CNC1(CCCC1)[*:1]
COC[C@@H](C)[NH2+]Cc1ccc2c(c1)OCCO2 COC[*:1] C[C@@H]([NH2+]Cc1ccc2OCCOc2c1)[*:1]
CC(C)c1ccccc1NC(=O)c1c([O-])c2sccc2[nH]c1=O CC(C)[*:1] O=C(Nc1ccccc1[*:1])c1c([O-])c2sccc2[nH]c1=O
Cc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc2c(c1)N(C)C(=O)CO2 Brc1ccccc1[*:1] Cc1sc(nc1-c1ccc2OCC(=O)N(C)c2c1)NC(=O)[*:1]
CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccsc2)NC(=O)N1 Clc1ccccc1[*:1] CC1NC(=O)N[C@@H](C=1C(=O)N[*:1])c1ccsc1
CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccsc2)NC(=O)N1 c1cc(cs1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)Nc1ccccc1Cl)[*:1]
Cc1csc([C@@H](C)NS(=O)(=O)c2ccc(Cl)s2)n1 Clc1ccc(s1)[*:1] Cc1csc(n1)[C@@H](C)NS(=O)(=O)[*:1]
Cc1csc([C@@H](C)NS(=O)(=O)c2ccc(Cl)s2)n1 Cc1csc(n1)[*:1] C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)[*:1]
C[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](OC(=O)CCc1cccc(c1)[N+](=O)[O-])[*:1]
C[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccnc1 O=[N+]([O-])[*:1] C[C@H](OC(=O)CCc1cccc(c1)[*:1])c1cccnc1
O=C([O-])c1ccc(Cn2nnc3ccccc32)nc1 O=C([O-])[*:1] c1ccc2c(c1)nnn2Cc1ccc(cn1)[*:1]
CC(C)[C@H](NC(=O)NCCn1cccc1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@H](NC(=O)NCCn1cccc1)c1nc(no1)[*:1]
CC(C)[C@H](NC(=O)NCCn1cccc1)c1nc(C2CC2)no1 c1ccn(c1)C[*:1] CC(C)[C@H](NC(=O)NC[*:1])c1nc(no1)C1CC1
CC(C)[C@H](NC(=O)NCCn1cccc1)c1nc(C2CC2)no1 c1ccn(c1)[*:1] CC(C)[C@H](NC(=O)NCC[*:1])c1nc(no1)C1CC1
CC(C)[C@H](NC(=O)NCCn1cccc1)c1nc(C2CC2)no1 CC(C)[*:1] O=C(NCCn1cccc1)N[C@H](c1nc(no1)C1CC1)[*:1]
CC(C)[C@H](NC(=O)NCCn1cccc1)c1nc(C2CC2)no1 c1ccn(c1)CC[*:1] CC(C)[C@H](NC(=O)N[*:1])c1nc(no1)C1CC1
O=C(NC1(C(=O)[O-])CCCCC1)c1c[nH]c(=O)c(Cl)c1 O=C([O-])[*:1] O=C(NC1(CCCCC1)[*:1])c1c[nH]c(=O)c(Cl)c1
O/N=C/c1cc(I)cc(I)c1O ON=C[*:1] Oc1c(I)cc(I)cc1[*:1]
CN(Cc1cccc2c1OCCO2)Cc1nnc(C2CC2)n1C C1CC1[*:1] CN(Cc1cccc2OCCOc12)Cc1nnc(n1C)[*:1]
Cc1nnc(/N=C2/S/C(=C/c3cccc(O[C@@H](C)C(=O)[O-])c3)C(=O)N2C)s1 O=C([O-])[*:1] Cc1nnc(/N=C2/S/C(=C/c3cccc(c3)O[C@@H](C)[*:1])C(=O)N2C)s1
Cc1nnc(/N=C2/S/C(=C/c3cccc(O[C@@H](C)C(=O)[O-])c3)C(=O)N2C)s1 Cc1nnc(s1)[*:1] C[C@H](Oc1cccc(/C=C2/SC(=N[*:1])N(C)C2=O)c1)C(=O)[O-]
Cc1cccc(C(=O)NC2CCC(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NC1CCC(CC1)[*:1]
Cc1cccc(C(=O)NC2CCC(c3ccccc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NC1CCC(CC1)c1ccccc1)[*:1]
Cc1csc(CN2CCC[C@@H](COc3ccccc3)C2)n1 Cc1csc(n1)[*:1] c1ccc(cc1)OC[C@@H]1CCCN(C1)C[*:1]
Cc1csc(CN2CCC[C@@H](COc3ccccc3)C2)n1 c1ccc(cc1)O[*:1] Cc1csc(CN2CCC[C@H](C2)C[*:1])n1
Cc1csc(CN2CCC[C@@H](COc3ccccc3)C2)n1 c1ccc(cc1)[*:1] Cc1csc(CN2CCC[C@@H](CO[*:1])C2)n1
Cc1csc(CN2CCC[C@@H](COc3ccccc3)C2)n1 Cc1csc(C[*:1])n1 c1ccc(cc1)OC[C@@H]1CCCN(C1)[*:1]
O=C(N/N=C/c1sc(=O)n(Cc2ccccc2)c1Cl)c1ccccc1 c1ccc(cc1)C[*:1] O=C(N/N=C/c1sc(=O)n(c1Cl)[*:1])c1ccccc1
O=C(N/N=C/c1sc(=O)n(Cc2ccccc2)c1Cl)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1sc(=O)n(C[*:1])c1Cl)c1ccccc1
O=C(N/N=C/c1sc(=O)n(Cc2ccccc2)c1Cl)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1sc(=O)n(Cc2ccccc2)c1Cl)[*:1]
Cc1ccc(CNc2ncnc(NCCC3=CCCCC3)c2N)cc1 Cc1ccc(cc1)[*:1] Nc1c(ncnc1NC[*:1])NCCC1=CCCCC1
Cc1ccc(CNc2ncnc(NCCC3=CCCCC3)c2N)cc1 Cc1ccc(cc1)C[*:1] Nc1c(ncnc1N[*:1])NCCC1=CCCCC1
Cc1ccccc1OC1CN(c2ncccc2C(=O)N2C[C@@H]3CC[C@H]2C3)C1 Cc1ccccc1O[*:1] O=C(c1cccnc1N1CC(C1)[*:1])N1C[C@@H]2CC[C@H]1C2
Cc1ccccc1OC1CN(c2ncccc2C(=O)N2C[C@@H]3CC[C@H]2C3)C1 Cc1ccccc1[*:1] O=C(c1cccnc1N1CC(C1)O[*:1])N1C[C@@H]2CC[C@H]1C2
C[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@]1(O)CCSC1 Clc1ccccc1[*:1] C[C@H](NC(=O)[*:1])C(=O)NC[C@@]1(O)CCSC1
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 CC(C)CNC(=O)[*:1] Cc1cc(ccc1NC(=O)c1cccc(c1)C[NH+]1CCCC1)[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 CC(C)C[*:1] Cc1cc(ccc1NC(=O)c1cccc(c1)C[NH+]1CCCC1)C(=O)N[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 CC(C)[*:1] Cc1cc(ccc1NC(=O)c1cccc(c1)C[NH+]1CCCC1)C(=O)NC[*:1]
CCC[NH2+][C@]1(C(N)=O)CCC[C@H](OCC2CCOCC2)C1 CCC[*:1] NC(=O)[C@]1(CCC[C@@H](C1)OCC1CCOCC1)[NH2+][*:1]
CCC[NH2+][C@]1(C(N)=O)CCC[C@H](OCC2CCOCC2)C1 C1CC(CCO1)[*:1] CCC[NH2+][C@@]1(CCC[C@@H](C1)OC[*:1])C(N)=O
CCC[NH2+][C@]1(C(N)=O)CCC[C@H](OCC2CCOCC2)C1 NC(=O)[*:1] CCC[NH2+][C@@]1(CCC[C@@H](C1)OCC1CCOCC1)[*:1]
CCC[NH2+][C@]1(C(N)=O)CCC[C@H](OCC2CCOCC2)C1 C1CC(CCO1)C[*:1] CCC[NH2+][C@@]1(CCC[C@@H](C1)O[*:1])C(N)=O
CC1=C(c2ccccc2)S(=O)(=O)N=C1NCc1ccccc1Cl c1ccc(cc1)[*:1] CC1C(=NS(=O)(=O)C=1[*:1])NCc1ccccc1Cl
CC1=C(c2ccccc2)S(=O)(=O)N=C1NCc1ccccc1Cl Clc1ccccc1[*:1] CC1C(=NS(=O)(=O)C=1c1ccccc1)NC[*:1]
O=S(=O)(CCC1CC1)N1CCSc2ccncc21 C1CC1C[*:1] O=S(=O)(C[*:1])N1CCSc2ccncc21
O=S(=O)(CCC1CC1)N1CCSc2ccncc21 C1CC1CC[*:1] O=S(=O)(N1CCSc2ccncc21)[*:1]
O=S(=O)(CCC1CC1)N1CCSc2ccncc21 C1CC1[*:1] O=S(=O)(CC[*:1])N1CCSc2ccncc21
Cc1nc(C)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 Cc1nc(C)c(s1)[*:1] O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[*:1]
Cc1nc(C)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 c1csc(c1)[*:1] Cc1nc(C)c(s1)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@H]1[*:1]
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1ccc([N+](=O)[O-])o1 CCOC(=O)[*:1] Cc1n[nH]c2OC(N)=C([C@@H](c3ccc(o3)[N+](=O)[O-])c12)[*:1]
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1ccc(o1)[*:1]
Cn1nnnc1N1CCC[C@@H]2CN(CCC#N)C[C@@H]21 N#CCC[*:1] Cn1nnnc1N1CCC[C@@H]2CN(C[C@@H]21)[*:1]
Cn1nnnc1N1CCC[C@@H]2CN(CCC#N)C[C@@H]21 Cn1nnnc1[*:1] N#CCCN1C[C@H]2CCCN([C@H]2C1)[*:1]
Cn1nnnc1N1CCC[C@@H]2CN(CCC#N)C[C@@H]21 N#CC[*:1] Cn1nnnc1N1CCC[C@@H]2CN(C[C@@H]21)C[*:1]
CCC[C@H](C#N)NC(=O)Cc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] CCC[C@H](C#N)NC(=O)Cc1ccc(cc1)[*:1]
CCC[C@H](C#N)NC(=O)Cc1ccc(-n2cnnn2)cc1 CCC[*:1] N#C[C@H](NC(=O)Cc1ccc(cc1)-n1cnnn1)[*:1]
C[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)nc1 c1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)c1ccc(Br)nc1
C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] C[C@H](Nc1ncccc1[*:1])c1ccccc1
C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ncccc1[N+](=O)[O-])[*:1]
CCNC(=O)CNc1ccc(C(=O)OC)cc1 CCNC(=O)[*:1] COC(=O)c1ccc(cc1)NC[*:1]
CCNC(=O)CNc1ccc(C(=O)OC)cc1 COC(=O)[*:1] CCNC(=O)CNc1ccc(cc1)[*:1]
CN(C)C(=O)CCc1cccc([C@@H]2CCCN(c3ncccn3)C2)n1 CN(C)C(=O)C[*:1] c1cnc(nc1)N1CCC[C@H](C1)c1cccc(C[*:1])n1
CN(C)C(=O)CCc1cccc([C@@H]2CCCN(c3ncccn3)C2)n1 CN(C)C(=O)[*:1] c1cnc(nc1)N1CCC[C@H](C1)c1cccc(CC[*:1])n1
CN(C)C(=O)CCc1cccc([C@@H]2CCCN(c3ncccn3)C2)n1 c1cnc(nc1)[*:1] CN(C)C(=O)CCc1cccc(n1)[C@@H]1CCCN(C1)[*:1]
CN(C)C(=O)CCc1cccc([C@@H]2CCCN(c3ncccn3)C2)n1 CN(C)C(=O)CC[*:1] c1cnc(nc1)N1CCC[C@H](C1)c1cccc(n1)[*:1]
Cc1cc(C)cc(-n2ncc(SC(C)C)c2N)c1 CC(C)[*:1] Cc1cc(C)cc(c1)-n1ncc(S[*:1])c1N
Cc1cc(C)cc(-n2ncc(SC(C)C)c2N)c1 CC(C)S[*:1] Cc1cc(C)cc(c1)-n1ncc(c1N)[*:1]
O=C(CN1CCN(CCOc2ccc(F)cc2Cl)CC1)N1CCCCCC1 Fc1ccc(O[*:1])c(Cl)c1 O=C(CN1CCN(CC1)CC[*:1])N1CCCCCC1
O=C(CN1CCN(CCOc2ccc(F)cc2Cl)CC1)N1CCCCCC1 Fc1ccc(c(Cl)c1)[*:1] O=C(CN1CCN(CCO[*:1])CC1)N1CCCCCC1
O=C(CN1CCN(CCOc2ccc(F)cc2Cl)CC1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] Fc1ccc(OCCN2CCN(CC2)C[*:1])c(Cl)c1
O=C(Nc1c(F)cccc1F)c1cc2c(s1)-c1ccccc1OC2 Fc1cccc(F)c1[*:1] O=C(N[*:1])c1cc2COc3ccccc3-c2s1
O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1 C1CN(CCO1)[*:1] O=C(NC[C@@H](c1cccs1)[*:1])C1(CCCC1)c1ccc(Cl)cc1
O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1 c1csc(c1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])C1(CCCC1)c1ccc(Cl)cc1
O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1(CCCC1)[*:1]
[O-]C1=NC(=S)S/C1=C\c1ccc(CSC(F)F)o1 FC(F)[*:1] [O-]C1=NC(=S)S/C1=C\c1ccc(CS[*:1])o1
[O-]C1=NC(=S)S/C1=C\c1ccc(CSC(F)F)o1 FC(F)S[*:1] [O-]C1=NC(=S)S/C1=C\c1ccc(C[*:1])o1
[O-]C1=NC(=S)S/C1=C\c1ccc(CSC(F)F)o1 FC(F)SC[*:1] [O-]C1=NC(=S)S/C1=C\c1ccc(o1)[*:1]
O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@H](c1ccccc1)c1ccccn1 C1CN(CCO1)C[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@H](c1ccccc1)c1ccccn1
O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)CN1CCOCC1)N[C@H](c1ccccn1)[*:1]
O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(NCc1ccc(cc1)CN1CCOCC1)N[C@H](c1ccccc1)[*:1]
O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@H](c1ccccc1)c1ccccn1 C1CN(CCO1)[*:1] O=C(NCc1ccc(cc1)C[*:1])N[C@H](c1ccccc1)c1ccccn1
O=C1/C(=N/Nc2ccccc2)CCN1C1CCCCC1 C1CCC(CC1)[*:1] O=C1/C(CCN1[*:1])=N/Nc1ccccc1
O=C1/C(=N/Nc2ccccc2)CCN1C1CCCCC1 c1ccc(cc1)[*:1] O=C1/C(CCN1C1CCCCC1)=N/N[*:1]
C[C@H](C(N)=O)N1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 C[C@H](C(N)=O)[*:1] C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCN(CC1)[*:1]
C[C@H](C(N)=O)N1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 NC(=O)[*:1] C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCN(CC1)[C@@H](C)[*:1]
COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(F)c1 COc1ccc(c(F)c1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1cccc(c1)NC(=O)[*:1]
COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(F)c1 FC(F)(F)c1cccc(c1)[*:1] COc1ccc(C(=O)Nc2cccc(c2)C(=O)N[*:1])c(F)c1
COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(F)c1 FC(F)(F)[*:1] COc1ccc(C(=O)Nc2cccc(c2)C(=O)Nc2cccc(c2)[*:1])c(F)c1
CCOC(=O)C(C)(C)[C@@]1(O)CCCC1(C)C CCOC(=O)[*:1] CC1(C)CCC[C@]1(O)C(C)(C)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CN(C)C(=O)O[*:1]
C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C CN(C(=O)OC(C)(C)C)[*:1] C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C[*:1]
O=C(Nc1cc(N2CCCC2)ncn1)c1cc(-c2ccc(F)cc2)n[nH]1 C1CCN(C1)[*:1] O=C(Nc1cc(ncn1)[*:1])c1cc(n[nH]1)-c1ccc(F)cc1
O=C(Nc1cc(N2CCCC2)ncn1)c1cc(-c2ccc(F)cc2)n[nH]1 Fc1ccc(cc1)[*:1] O=C(Nc1cc(ncn1)N1CCCC1)c1cc(n[nH]1)[*:1]
CCN(CC)C(=O)c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c(C#N)c1C CCN(CC)C(=O)[*:1] Cc1c(sc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c1C#N)[*:1]
CCN(CC)C(=O)c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c(C#N)c1C c1ccc(cc1)[*:1] CCN(CC)C(=O)c1sc(NC(=O)[C@H]2C[C@@H]2[*:1])c(C#N)c1C
Cc1ccc(NC(=O)N(CCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)NC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccc(NC(=O)N(CCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(NC(=O)N(CCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])N(CCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(NC(=O)N(CCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)NC(=O)N(CC[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccc2cc[nH]c2c1 Clc1cccc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2cc[nH]c2c1
CCOc1cccc([C@H](C)N[C@H](C)C(=O)N2CCNC2=O)c1 CCO[*:1] C[C@H](N[C@H](C)C(=O)N1CCNC1=O)c1cccc(c1)[*:1]
CCCN(CCC)S(=O)(=O)c1ccc(C)cc1N CCC[*:1] CCCN(S(=O)(=O)c1ccc(C)cc1N)[*:1]
C[NH2+][C@H]1CCN(c2cccc(C(C)C)c2)C1 CC(C)[*:1] C[NH2+][C@H]1CCN(C1)c1cccc(c1)[*:1]
CC[C@@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)c1cccc(c1)[*:1]
Cc1cccc(C)c1CNC[C@](C)(O)c1ccco1 c1coc(c1)[*:1] Cc1cccc(C)c1CNC[C@](C)(O)[*:1]
CC(=O)N[C@H](CC(=O)N1CCOC[C@H]1CC(C)C)c1c(F)cccc1F CC(=O)N[*:1] CC(C)C[C@@H]1COCCN1C(=O)C[C@H](c1c(F)cccc1F)[*:1]
CC(=O)N[C@H](CC(=O)N1CCOC[C@H]1CC(C)C)c1c(F)cccc1F CC(C)C[*:1] CC(=O)N[C@H](CC(=O)N1CCOC[C@@H]1[*:1])c1c(F)cccc1F
CC(=O)N[C@H](CC(=O)N1CCOC[C@H]1CC(C)C)c1c(F)cccc1F Fc1cccc(F)c1[*:1] CC(=O)N[C@H](CC(=O)N1CCOC[C@H]1CC(C)C)[*:1]
CC(=O)N[C@H](CC(=O)N1CCOC[C@H]1CC(C)C)c1c(F)cccc1F CC(C)[*:1] CC(=O)N[C@H](CC(=O)N1CCOC[C@H]1C[*:1])c1c(F)cccc1F
COc1cc(CO)cc(Br)c1OCc1cccnc1 c1cncc(c1)[*:1] COc1cc(cc(Br)c1OC[*:1])CO
C/C(=C/C(=O)N[C@H](C(N)=O)C(C)(C)C)c1ccccc1F Fc1ccccc1[*:1] CC(=CC(=O)N[C@H](C(N)=O)C(C)(C)C)[*:1]
C/C(=C/C(=O)N[C@H](C(N)=O)C(C)(C)C)c1ccccc1F NC(=O)[*:1] C/C(=C/C(=O)N[C@H](C(C)(C)C)[*:1])c1ccccc1F
C/C(=C/C(=O)N[C@H](C(N)=O)C(C)(C)C)c1ccccc1F CC(C)(C)[*:1] C/C(=C/C(=O)N[C@H](C(N)=O)[*:1])c1ccccc1F
CCc1nsc(N2CCN(C(=O)[C@H](C)CCOc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] CCc1nsc(n1)N1CCN(CC1)C(=O)[C@H](C)CCO[*:1]
CCc1nsc(N2CCN(C(=O)[C@H](C)CCOc3ccccc3)CC2)n1 CCc1nsc(n1)[*:1] C[C@H](CCOc1ccccc1)C(=O)N1CCN(CC1)[*:1]
CCc1nsc(N2CCN(C(=O)[C@H](C)CCOc3ccccc3)CC2)n1 c1ccc(cc1)OC[*:1] CCc1nsc(n1)N1CCN(CC1)C(=O)[C@H](C)C[*:1]
CCc1nsc(N2CCN(C(=O)[C@H](C)CCOc3ccccc3)CC2)n1 c1ccc(cc1)O[*:1] CCc1nsc(n1)N1CCN(CC1)C(=O)[C@H](C)CC[*:1]
CC[NH+](CC)[C@](C)(CC)[C@@H](O)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CC[NH+](CC)[C@](C)(CC)[C@@H](O)[*:1]
CCN(CC(C)(C)O)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)c1cc(cc(c1)C(F)(F)F)N1CCCC1=O
CCN(CC(C)(C)O)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 O=C1CCCN1[*:1] CCN(CC(C)(C)O)C(=O)c1cc(cc(c1)[*:1])C(F)(F)F
CCN(CC(C)(C)O)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 CC(C)(O)C[*:1] CCN(C(=O)c1cc(cc(c1)C(F)(F)F)N1CCCC1=O)[*:1]
CCN(CC(C)(C)O)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 FC(F)(F)[*:1] CCN(CC(C)(C)O)C(=O)c1cc(cc(c1)[*:1])N1CCCC1=O
COc1cc([C@H]2NC(=O)c3ccccc3O2)ccc1OC(=O)C(C)C CC(C)C(=O)O[*:1] COc1cc(ccc1[*:1])[C@H]1NC(=O)c2ccccc2O1
COc1cc([C@H]2NC(=O)c3ccccc3O2)ccc1OC(=O)C(C)C CC(C)[*:1] COc1cc(ccc1OC(=O)[*:1])[C@H]1NC(=O)c2ccccc2O1
CN(Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c1)C(=O)OC(C)(C)C Fc1ccccc1[*:1] CN(Cc1cccc(c1)NC(=O)[C@@H]1C[C@@H]1[*:1])C(=O)OC(C)(C)C
CN(Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(Cc1cccc(c1)NC(=O)[C@@H]1C[C@H]1c1ccccc1F)C(=O)O[*:1]
CN(Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c1)C(=O)OC(C)(C)C CN(C(=O)OC(C)(C)C)[*:1] O=C(Nc1cccc(c1)C[*:1])[C@@H]1C[C@H]1c1ccccc1F
C=CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C=CCNC(=O)C(=O)NCC[NH+]1CCN(CC1)[*:1]
C=CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 C=CC[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccc(F)cc1)C(=O)N[*:1]
Cc1cnn(C[C@H]2CCCN2[C@H](C(N)=O)c2ccccc2)c1 Cc1cnn(c1)[*:1] NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1C[*:1]
Cc1cnn(C[C@H]2CCCN2[C@H](C(N)=O)c2ccccc2)c1 NC(=O)[*:1] Cc1cnn(c1)C[C@H]1CCCN1[C@H](c1ccccc1)[*:1]
Cc1cnn(C[C@H]2CCCN2[C@H](C(N)=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cnn(c1)C[C@H]1CCCN1[C@H](C(N)=O)[*:1]
Cc1cnn(C[C@H]2CCCN2[C@H](C(N)=O)c2ccccc2)c1 Cc1cnn(c1)C[*:1] NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1[*:1]
COCc1cc(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)no1 c1ccc(cc1)[*:1] COCc1cc(no1)C(=O)N[C@H]1C[C@H](C)N(C1)[*:1]
COCc1cc(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)no1 COC[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)c1cc(on1)[*:1]
CCC1(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)CCC1 c1cnc(nc1)[*:1] CCC1(CCC1)C(=O)NC[C@@H]1CCCN(C1)[*:1]
CCC1(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)CCC1 CCC1(CCC1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1ccc(S(=O)(=O)NCC[NH+](C)C2CCCCC2)cc1 Cc1ccc(cc1)[*:1] C[NH+](CCNS(=O)(=O)[*:1])C1CCCCC1
Cc1ccc(S(=O)(=O)NCC[NH+](C)C2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)S(=O)(=O)NCC[NH+](C)[*:1]
C[C@H](CNC(=O)N[C@H]1CCc2ccccc21)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)N[C@H]1CCc2ccccc21)N1CCN(CC1)[*:1]
C[C@H](CNC(=O)N[C@H]1CCc2ccccc21)N1CCN(c2ccccc2)CC1 c1ccc2c(c1)CC[C@@H]2[*:1] C[C@H](CNC(=O)N[*:1])N1CCN(CC1)c1ccccc1
CS(=O)(=O)Cc1noc(CN(CC2CC2)c2ccccc2)n1 C1CC1[*:1] CS(=O)(=O)Cc1noc(CN(C[*:1])c2ccccc2)n1
CS(=O)(=O)Cc1noc(CN(CC2CC2)c2ccccc2)n1 CS(=O)(=O)C[*:1] c1ccc(cc1)N(Cc1nc(no1)[*:1])CC1CC1
CS(=O)(=O)Cc1noc(CN(CC2CC2)c2ccccc2)n1 CS(=O)(=O)[*:1] c1ccc(cc1)N(Cc1nc(C[*:1])no1)CC1CC1
CS(=O)(=O)Cc1noc(CN(CC2CC2)c2ccccc2)n1 C1CC1C[*:1] CS(=O)(=O)Cc1noc(CN(c2ccccc2)[*:1])n1
CS(=O)(=O)Cc1noc(CN(CC2CC2)c2ccccc2)n1 c1ccc(cc1)[*:1] CS(=O)(=O)Cc1noc(CN(CC2CC2)[*:1])n1
NC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 NC(=O)C[*:1] c1ccc2nc3c(nc2c1)c1ccccc1n3[*:1]
NC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 NC(=O)[*:1] c1ccc2nc3c(nc2c1)c1ccccc1n3C[*:1]
COc1ccc(C(=O)CSC2=NS(=O)(=O)c3ccccc3N2)cc1 COc1ccc(cc1)[*:1] O=C(CSC1=NS(=O)(=O)c2ccccc2N1)[*:1]
NC(=O)CCNC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 NC(=O)CC[*:1] O=C(NCc1cccc(c1)NC(=O)c1ccc(F)cc1)N[*:1]
NC(=O)CCNC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] NC(=O)CCNC(=O)NCc1cccc(c1)NC(=O)[*:1]
NC(=O)CCNC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 NC(=O)[*:1] O=C(NCC[*:1])NCc1cccc(c1)NC(=O)c1ccc(F)cc1
NC(=O)CCNC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 NC(=O)C[*:1] O=C(NCc1cccc(c1)NC(=O)c1ccc(F)cc1)NC[*:1]
Cc1ccc([C@H]2C[NH2+]CC[C@]23CCC[C@@H]3S(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)[C@H]1CCC[C@]12CC[NH2+]C[C@@H]2[*:1]
Cc1ccc([C@H]2C[NH2+]CC[C@]23CCC[C@@H]3S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)[C@H]1C[NH2+]CC[C@]12CCC[C@H]2[*:1]
CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCC(=O)N1N=C2c3cc(ccc3CC[C@@H]2[C@@H]1[*:1])OC
C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCO[C@H]1[*:1])c1ccco1
C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)[*:1]
Cc1ccccc1Cn1c(C(=O)N2CCN(C)CC2)cc2occc21 Cc1ccccc1[*:1] CN1CCN(CC1)C(=O)c1cc2occc2n1C[*:1]
Cc1ccccc1Cn1c(C(=O)N2CCN(C)CC2)cc2occc21 Cc1ccccc1C[*:1] CN1CCN(CC1)C(=O)c1cc2occc2n1[*:1]
CCOCC(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C CC(C)[*:1] CCOCC(=O)N[C@@H](C(=O)N1CCOCC1)[*:1]
CCOCC(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C CCOC[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCOCC1
CCOCC(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C CCO[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)N1CCOCC1
CCCn1ncc(C(=O)NC2(Cc3ccccc3C)CC2)c1C Cc1ccccc1[*:1] CCCn1ncc(C(=O)NC2(CC2)C[*:1])c1C
CCCn1ncc(C(=O)NC2(Cc3ccccc3C)CC2)c1C CCC[*:1] Cc1ccccc1CC1(CC1)NC(=O)c1cnn(c1C)[*:1]
Cc1c(CNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)cnn1C Cc1c(cnn1C)C[*:1] O=C(N[*:1])c1cn(CC[C@H]2CCCC[NH2+]2)nn1
Cc1c(CNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)cnn1C Cc1c(cnn1C)[*:1] O=C(NC[*:1])c1cn(CC[C@H]2CCCC[NH2+]2)nn1
COc1cccc(N2C(C)=CC(=C(C#N)c3nc4ccccc4s3)C=C2C)c1 COc1cccc(c1)[*:1] CC1=CC(C=C(C)N1[*:1])=C(C#N)c1nc2ccccc2s1
COc1cccc(N2C(C)=CC(=C(C#N)c3nc4ccccc4s3)C=C2C)c1 c1ccc2sc(nc2c1)[*:1] COc1cccc(c1)N1C(C)=CC(C=C1C)=C(C#N)[*:1]
COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)ccc1N1CCCC1=O O=C1CCCN1[*:1] COc1cc(ccc1[*:1])NS(=O)(=O)c1cc(cc(C)c1C)C(=O)[O-]
COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)ccc1N1CCCC1=O O=C([O-])[*:1] COc1cc(ccc1N1CCCC1=O)NS(=O)(=O)c1cc(cc(C)c1C)[*:1]
CC(C)CN1C[C@@H](C(=O)Nc2ccc(-n3cncn3)nc2)CC1=O c1ncn(n1)[*:1] CC(C)CN1C[C@H](CC1=O)C(=O)Nc1ccc(nc1)[*:1]
CC(C)CN1C[C@@H](C(=O)Nc2ccc(-n3cncn3)nc2)CC1=O CC(C)C[*:1] O=C(Nc1ccc(nc1)-n1cncn1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)CN1C[C@@H](C(=O)Nc2ccc(-n3cncn3)nc2)CC1=O CC(C)[*:1] O=C(Nc1ccc(nc1)-n1cncn1)[C@H]1CC(=O)N(C1)C[*:1]
CCOc1c(F)cccc1C(=O)NCCC(=O)N1CCCCCC1 CCO[*:1] O=C(NCCC(=O)N1CCCCCC1)c1cccc(F)c1[*:1]
CCOc1cccc2cc([C@@H](C)NC(=O)[C@@H](C)NC(N)=O)oc12 C[C@@H](NC(N)=O)[*:1] CCOc1cccc2cc(oc12)[C@@H](C)NC(=O)[*:1]
CCOc1cccc2cc([C@@H](C)NC(=O)[C@@H](C)NC(N)=O)oc12 NC(=O)N[*:1] CCOc1cccc2cc(oc12)[C@@H](C)NC(=O)[C@@H](C)[*:1]
CCOc1cccc2cc([C@@H](C)NC(=O)[C@@H](C)NC(N)=O)oc12 CCO[*:1] C[C@@H](NC(N)=O)C(=O)N[C@H](C)c1cc2cccc(c2o1)[*:1]
CCc1onc(C)c1NC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 CCc1onc(C)c1[*:1] CC[NH+]1CCN(CC1)c1ccc(cc1F)C(=O)N[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)CNc2cccc(C)c2C)c1 CCN(CC)C(=O)[*:1] Cc1cccc(NCC(=O)Nc2cccc(c2)[*:1])c1C
CCN(CC)C(=O)c1cccc(NC(=O)CNc2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)CN[*:1]
CCc1ccc([C@H]2CN3C(=O)CN(CCO)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 CCc1ccc(cc1)[*:1] C[C@@]12C(=O)N(CCO)CC(=O)N1C[C@@H](c1c2[nH]c2ccccc12)[*:1]
CCc1ccc([C@H]2CN3C(=O)CN(CCO)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 OCC[*:1] CCc1ccc(cc1)[C@H]1CN2C(=O)CN(C(=O)[C@@]2(C)c2[nH]c3ccccc3c21)[*:1]
C[C@@H]1CN(C(=O)c2ccccc2)O[C@@H](c2ccc3c(c2)OCO3)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(O[C@H](O1)c1ccc2OCOc2c1)C(=O)[*:1]
C=Cc1ccc(Cn2nc3n(C)c(=O)c4ccc(C(=O)N[C@@H](C)CC)cc4n3c2=O)cc1 C=Cc1ccc(cc1)C[*:1] CC[C@H](C)NC(=O)c1ccc2c(=O)n(C)c3nn(c(=O)n3c2c1)[*:1]
C=Cc1ccc(Cn2nc3n(C)c(=O)c4ccc(C(=O)N[C@@H](C)CC)cc4n3c2=O)cc1 CC[C@H](C)NC(=O)[*:1] C=Cc1ccc(cc1)Cn1nc2n(C)c(=O)c3ccc(cc3n2c1=O)[*:1]
C=Cc1ccc(Cn2nc3n(C)c(=O)c4ccc(C(=O)N[C@@H](C)CC)cc4n3c2=O)cc1 C=Cc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1ccc2c(=O)n(C)c3nn(C[*:1])c(=O)n3c2c1
[NH3+][C@H]1CCCCC[C@H]1C(=O)NCCC(=O)[O-] O=C([O-])C[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)NC[*:1]
[NH3+][C@H]1CCCCC[C@H]1C(=O)NCCC(=O)[O-] O=C([O-])CC[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)N[*:1]
[NH3+][C@H]1CCCCC[C@H]1C(=O)NCCC(=O)[O-] O=C([O-])[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)NCC[*:1]
OCCOc1ccc(C[NH2+]Cc2ccccc2)cc1 OCCO[*:1] c1ccc(cc1)C[NH2+]Cc1ccc(cc1)[*:1]
OCCOc1ccc(C[NH2+]Cc2ccccc2)cc1 c1ccc(cc1)[*:1] OCCOc1ccc(cc1)C[NH2+]C[*:1]
OCCOc1ccc(C[NH2+]Cc2ccccc2)cc1 OCC[*:1] c1ccc(cc1)C[NH2+]Cc1ccc(cc1)O[*:1]
COc1cc(C)nc(NC(=O)Nc2s/c(=N/S(=O)(=O)c3ccccc3)[nH]c2C)n1 COc1cc(C)nc(n1)[*:1] Cc1[nH]/c(=N\S(=O)(=O)c2ccccc2)sc1NC(=O)N[*:1]
COc1cc(C)nc(NC(=O)Nc2s/c(=N/S(=O)(=O)c3ccccc3)[nH]c2C)n1 c1ccc(cc1)[*:1] COc1cc(C)nc(n1)NC(=O)Nc1s/c(=N/S(=O)(=O)[*:1])[nH]c1C
CC1(C)C[C@@H]([NH2+]CC/N=C(\O)c2ncccc2O)c2ccccc2O1 Oc1cccnc1[*:1] CC1(C)C[C@@H]([NH2+]CC/N=C(\O)[*:1])c2ccccc2O1
O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1ccc(Br)cc1 Fc1ccccc1[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1ccc(Br)cc1
O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1F)N[*:1]
C[NH+](C)[C@H]1CCC[C@](C#N)(NC2CC2)C1 C1CC1[*:1] C[NH+](C)[C@H]1CCC[C@@](C#N)(C1)N[*:1]
C[NH+](C)[C@H]1CCC[C@](C#N)(NC2CC2)C1 C1CC1N[*:1] C[NH+](C)[C@H]1CCC[C@](C#N)(C1)[*:1]
CS(=O)(=O)N1CCCN(C(=O)CCCc2cccs2)CC1 c1csc(c1)[*:1] CS(=O)(=O)N1CCCN(CC1)C(=O)CCC[*:1]
CS(=O)(=O)N1CCCN(C(=O)CCCc2cccs2)CC1 c1csc(c1)C[*:1] CS(=O)(=O)N1CCCN(CC1)C(=O)CC[*:1]
CS(=O)(=O)N1CCCN(C(=O)CCCc2cccs2)CC1 c1csc(c1)CC[*:1] CS(=O)(=O)N1CCCN(CC1)C(=O)C[*:1]
C[C@H](C(=O)N1CCN(C)CC1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 CN1CCN(CC1)C(=O)[*:1] C[C@H](N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)[*:1]
Cc1nsnc1Cn1nnc(C(=O)NC2CCSCC2)c1C Cc1nsnc1C[*:1] Cc1c(nnn1[*:1])C(=O)NC1CCSCC1
Cc1nsnc1Cn1nnc(C(=O)NC2CCSCC2)c1C C1CC(CCS1)[*:1] Cc1nsnc1Cn1nnc(C(=O)N[*:1])c1C
Cc1nsnc1Cn1nnc(C(=O)NC2CCSCC2)c1C Cc1nsnc1[*:1] Cc1c(nnn1C[*:1])C(=O)NC1CCSCC1
CCO[C@@H]1CCCN(C(=O)Nc2ccc(Br)nc2C)C1 CCO[*:1] Cc1nc(Br)ccc1NC(=O)N1CCC[C@H](C1)[*:1]
CC(=O)c1c(C)nc(C)nc1SCCOc1ccc(F)cc1 CC(=O)[*:1] Cc1nc(C)c(c(n1)SCCOc1ccc(F)cc1)[*:1]
CC(=O)c1c(C)nc(C)nc1SCCOc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=O)c1c(C)nc(C)nc1SCCO[*:1]
CCNC(=O)c1ccc(NC[C@H](O)c2cccc(F)c2)nc1 CCNC(=O)[*:1] O[C@@H](CNc1ccc(cn1)[*:1])c1cccc(F)c1
CCNC(=O)c1ccc(NC[C@H](O)c2cccc(F)c2)nc1 Fc1cccc(c1)[*:1] CCNC(=O)c1ccc(nc1)NC[C@H](O)[*:1]
CNC(=O)c1ncccc1[C@H](O)c1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(cc1)[C@@H](O)c1cccnc1[*:1]
COc1ccc(N2C[C@@H](C(=O)N3CCc4ccccc4C3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCc2ccccc2C1
CS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(C)=O)c(C)c1 CC(=O)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(c(C)c1)[*:1]
COc1ccc(F)c(NC(=O)C(=O)NCCN(C)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)NCCN(C)[*:1]
COc1ccc(F)c(NC(=O)C(=O)NCCN(C)c2ccccc2)c1 CN(c1ccccc1)[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)NCC[*:1]
CCc1c(C(=O)Nc2cc(Cl)ccc2Cl)cnn1-c1ccc(F)cc1 Clc1ccc(Cl)c(c1)[*:1] CCc1c(cnn1-c1ccc(F)cc1)C(=O)N[*:1]
CCc1c(C(=O)Nc2cc(Cl)ccc2Cl)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)Nc1cc(Cl)ccc1Cl
CCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)[*:1]
CCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 Cc1cccc(c1C)[*:1] CCN(CC(=O)N[*:1])S(=O)(=O)c1ccc(Cl)cc1
N#Cc1ccc(OC(F)F)c(NCC(=O)N2CCC[C@@H](C(N)=O)C2)c1 FC(F)[*:1] N#Cc1ccc(O[*:1])c(c1)NCC(=O)N1CCC[C@H](C1)C(N)=O
N#Cc1ccc(OC(F)F)c(NCC(=O)N2CCC[C@@H](C(N)=O)C2)c1 NC(=O)[*:1] N#Cc1ccc(OC(F)F)c(c1)NCC(=O)N1CCC[C@@H](C1)[*:1]
N#Cc1ccc(OC(F)F)c(NCC(=O)N2CCC[C@@H](C(N)=O)C2)c1 FC(F)O[*:1] N#Cc1ccc(c(c1)NCC(=O)N1CCC[C@H](C1)C(N)=O)[*:1]
Cc1nn(C)c(C)c1CCN[C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 C1CC1[*:1] Cc1nn(C)c(C)c1CCN[C@@H](c1ccc(Cl)c(Cl)c1)[*:1]
CN1CC[NH+]([C@H]2CCN(c3cccc(C(F)(F)F)n3)C[C@H]2CCCO)CC1 OCC[*:1] CN1CC[NH+](CC1)[C@H]1CCN(C[C@H]1C[*:1])c1cccc(n1)C(F)(F)F
CN1CC[NH+]([C@H]2CCN(c3cccc(C(F)(F)F)n3)C[C@H]2CCCO)CC1 FC(F)(F)[*:1] CN1CC[NH+](CC1)[C@H]1CCN(C[C@H]1CCCO)c1cccc(n1)[*:1]
CN1CC[NH+]([C@H]2CCN(c3cccc(C(F)(F)F)n3)C[C@H]2CCCO)CC1 OCCC[*:1] CN1CC[NH+](CC1)[C@H]1CCN(C[C@@H]1[*:1])c1cccc(n1)C(F)(F)F
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1Cl C1Cc2[nH]nc(c2C1)[*:1] COc1ccc(cc1Cl)NC(=O)CC[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(CC[C@@H]1CCCN(C1)C(=O)c1n[nH]c2CCCc12)N[*:1]
CCC(CC)n1nccc1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 CCC(CC)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1ccnn1[*:1]
O=C(NCc1ccco1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(NCc1ccco1)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCc1ccco1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 c1coc(c1)C[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1cccc(F)c1)N[*:1]
O=C(NCc1ccco1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 c1coc(c1)[*:1] O=C(NC[*:1])N[C@@H]1CC(=O)N(C1)c1cccc(F)c1
Cc1ccccc1Nc1nc([C@@]2(C)C[C@]3(CC(C)(C)OC3=O)C(=O)O2)cs1 Cc1ccccc1N[*:1] CC1(C)C[C@]2(C[C@@](C)(OC2=O)c2csc(n2)[*:1])C(=O)O1
Cc1ccccc1Nc1nc([C@@]2(C)C[C@]3(CC(C)(C)OC3=O)C(=O)O2)cs1 Cc1ccccc1[*:1] CC1(C)C[C@]2(C[C@@](C)(OC2=O)c2csc(n2)N[*:1])C(=O)O1
O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1csc(-c2nc[nH]n2)n1 FC(F)(F)[*:1] O=C(NC[C@@H](O)c1cccc(c1)[*:1])c1csc(n1)-c1nc[nH]n1
[NH3+]CCC[C@H]1CCCN1C(=O)N[C@H]1CCOC1 [NH3+]CC[*:1] O=C(N[C@H]1CCOC1)N1CCC[C@@H]1C[*:1]
[NH3+]CCC[C@H]1CCCN1C(=O)N[C@H]1CCOC1 [NH3+]CCC[*:1] O=C(N[C@H]1CCOC1)N1CCC[C@@H]1[*:1]
[NH3+]CCC[C@H]1CCCN1C(=O)N[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] [NH3+]CCC[C@H]1CCCN1C(=O)N[*:1]
O=C(NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@H]1C[C@H]2C=C[C@@H]1C2 c1cc(cs1)[*:1] O=C(NC[C@@H]1Cc2cc(cc(Cl)c2O1)[*:1])[C@H]1C[C@H]2C=C[C@@H]1C2
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)[nH]n2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(F)c1)c1cc(n[nH]1)S(=O)(=O)[N-][*:1]
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)[nH]n2)cc1 CCO[*:1] O=C(Nc1ccc(F)c(F)c1)c1cc(n[nH]1)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)[nH]n2)cc1 Fc1ccc(cc1F)[*:1] CCOc1ccc(cc1)[N-]S(=O)(=O)c1cc([nH]n1)C(=O)N[*:1]
CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1csc2c1CCCC2 c1coc(c1)[*:1] CCCN(Cc1nnc(o1)[*:1])C(=O)c1csc2CCCCc12
CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1csc2c1CCCC2 CCC[*:1] O=C(c1csc2CCCCc12)N(Cc1nnc(o1)-c1ccco1)[*:1]
Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)N(C(=O)[C@H](C)N[C@H](C)[*:1])C(C)C
Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@@H](C)N[C@@H](C)C(=O)N(C(C)C)[*:1]
O=[N+]([O-])[C@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)c1ccc(Cl)s1 O=[N+]([O-])[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1[*:1])c1ccc(Cl)s1
O=[N+]([O-])[C@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=[N+]([O-])[C@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)[*:1]
CC[NH+](CC)[C@H](CN[C@@H]1CCCS[C@@H]1C)c1ccccc1 C[C@H]1SCCC[C@H]1[*:1] CC[NH+](CC)[C@H](CN[*:1])c1ccccc1
CC[NH+](CC)[C@H](CN[C@@H]1CCCS[C@@H]1C)c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@H](CN[C@@H]1CCCS[C@@H]1C)[*:1]
COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(OC)cc3)CC2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(OC)cc3)CC2)cc1 COc1ccc(cc1)C[*:1] COc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)[*:1]
COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(OC)cc3)CC2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
O=C(Nc1ccccc1Br)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1Br)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(Nc1ccccc1Br)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 Brc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)Cc1ccccc1
O=C(Nc1ccccc1Br)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1Br)[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
C[C@H](O)CCN(C)C(=O)Cc1ccc[nH]1 C[C@H](O)C[*:1] CN(C[*:1])C(=O)Cc1ccc[nH]1
C[C@H](O)CCN(C)C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] C[C@H](O)CCN(C)C(=O)C[*:1]
C[C@H](O)CCN(C)C(=O)Cc1ccc[nH]1 C[C@H](O)CC[*:1] CN(C(=O)Cc1ccc[nH]1)[*:1]
C[C@H](O)CCN(C)C(=O)Cc1ccc[nH]1 C[C@H](O)[*:1] CN(CC[*:1])C(=O)Cc1ccc[nH]1
CC(C)(C)C(=O)Nc1nc(CC(=O)NCC(F)(F)F)cs1 FC(F)(F)[*:1] CC(C)(C)C(=O)Nc1nc(cs1)CC(=O)NC[*:1]
CC(C)(C)C(=O)Nc1nc(CC(=O)NCC(F)(F)F)cs1 CC(C)(C)C(=O)N[*:1] O=C(Cc1csc(n1)[*:1])NCC(F)(F)F
CC(C)(C)C(=O)Nc1nc(CC(=O)NCC(F)(F)F)cs1 FC(F)(F)C[*:1] CC(C)(C)C(=O)Nc1nc(cs1)CC(=O)N[*:1]
CC(C)(C)C(=O)Nc1nc(CC(=O)NCC(F)(F)F)cs1 CC(C)(C)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])NCC(F)(F)F
C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCOC2(CCC2)C1 c1cc(cs1)[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CCOC2(CCC2)C1
C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCOC2(CCC2)C1 c1cc(cs1)C[*:1] C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)[*:1]
COc1ccc(C[NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1F O=[N+]([O-])[*:1] COc1ccc(cc1F)C[NH+](C)Cc1nc2cc(ccc2o1)[*:1]
Cc1nc2cc(NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)ccc2o1 c1n[nH]cc1[*:1] Cc1nc2cc(ccc2o1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@](O)(C(=O)N/N=C/c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(C(=O)NN=C[*:1])c1ccccc1
C[C@](O)(C(=O)N/N=C/c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(C(=O)N/N=C/c1ccccc1)[*:1]
CCOC(=O)[C@@H]1CC2=C(CCCCC2)C(C#N)=C1[NH3+] CCOC(=O)[*:1] N#CC1C2CCCCCC=2C[C@H](C=1[NH3+])[*:1]
N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CN(C2CC2)CCO1 N#CCC[*:1] N#C[C@@H](C[NH2+]C[C@@H]1CN(CCO1)C1CC1)[*:1]
N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CN(C2CC2)CCO1 N#CC[*:1] N#C[C@@H](C[NH2+]C[C@@H]1CN(CCO1)C1CC1)C[*:1]
N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CN(C2CC2)CCO1 C1CC1[*:1] N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CN(CCO1)[*:1]
C[C@H](NC(=O)c1ccn(CC(=O)[O-])n1)c1ccccc1 O=C([O-])C[*:1] C[C@H](NC(=O)c1ccn(n1)[*:1])c1ccccc1
C[C@H](NC(=O)c1ccn(CC(=O)[O-])n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccn(CC(=O)[O-])n1)[*:1]
C[C@H](NC(=O)c1ccn(CC(=O)[O-])n1)c1ccccc1 O=C([O-])[*:1] C[C@H](NC(=O)c1ccn(C[*:1])n1)c1ccccc1
CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(COC)cc2)[C@H](CC)C1 COC[*:1] CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(cc2)[*:1])[C@H](CC)C1
CC(C)(C)OC(=O)NNC(=O)c1ccccc1Br CC(C)(C)[*:1] O=C(NNC(=O)c1ccccc1Br)O[*:1]
CC(C)(C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)NS(C)(=O)=O CS(=O)(=O)N[*:1] CC(C)(C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)[*:1]
O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(Cl)s1 O=C1CCCC[C@H]1[*:1] O=C(c1ccc(Cl)s1)N1CCCC[C@@H]1[*:1]
O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C1CCCC[C@@H]1[C@H]1CCCCN1C(=O)[*:1]
Cc1cccc(-n2nc(C(=O)N3CCCCCC3)nc2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-n1nc(nc1[*:1])C(=O)N1CCCCCC1
Cc1cccc(-n2nc(C(=O)N3CCCCCC3)nc2-c2ccccc2)c1 O=C(N1CCCCCC1)[*:1] Cc1cccc(c1)-n1nc(nc1-c1ccccc1)[*:1]
Cc1cccc(-n2nc(C(=O)N3CCCCCC3)nc2-c2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(c1nc(-c2ccccc2)n(n1)[*:1])N1CCCCCC1
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H]1CCO[C@@H]1C c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN(C)C(=O)[C@@H]1CCO[C@@H]1C)[*:1]
CCOc1ccc(NC(=O)N[C@H](CO)CC(C)C)cc1Cl CC(C)[*:1] CCOc1ccc(cc1Cl)NC(=O)N[C@H](CO)C[*:1]
CCOc1ccc(NC(=O)N[C@H](CO)CC(C)C)cc1Cl CC(C)C[*:1] CCOc1ccc(cc1Cl)NC(=O)N[C@H](CO)[*:1]
CCOc1ccc(NC(=O)N[C@H](CO)CC(C)C)cc1Cl CCO[*:1] CC(C)C[C@@H](CO)NC(=O)Nc1ccc(c(Cl)c1)[*:1]
CCOc1ccc(NC(=O)N[C@H](CO)CC(C)C)cc1Cl CC(C)C[C@@H](CO)[*:1] CCOc1ccc(cc1Cl)NC(=O)N[*:1]
CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C[C@@H]2C=CCC2)C1 CN(C)C(=O)[*:1] O=C(C[C@@H]1C=CCC1)N1CCC[C@](Cc2cccc(c2)-c2cccnc2)(C1)[*:1]
CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C[C@@H]2C=CCC2)C1 c1cncc(c1)[*:1] CN(C)C(=O)[C@]1(CCCN(C1)C(=O)C[C@@H]1C=CCC1)Cc1cccc(c1)[*:1]
C[C@H](Cc1ccccn1)N(C)Cc1cc2ccccc2o1 c1ccc(C[*:1])nc1 C[C@H](N(C)Cc1cc2ccccc2o1)[*:1]
C[C@H](Cc1ccccn1)N(C)Cc1cc2ccccc2o1 c1ccc(nc1)[*:1] C[C@H](C[*:1])N(C)Cc1cc2ccccc2o1
CCOC(=O)c1cnn(-c2ncnc3c2oc2ccccc23)c1N CCOC(=O)[*:1] Nc1c(cnn1-c1ncnc2c1oc1ccccc12)[*:1]
CC[C@@H](NC(=O)NCCC(=O)N1CCCC1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@@H](NC(=O)NCCC(=O)N1CCCC1)[*:1]
CC[C@@H](NC(=O)NCCC(=O)N1CCCC1)c1cc(F)ccc1F O=C(C[*:1])N1CCCC1 CC[C@@H](NC(=O)NC[*:1])c1cc(F)ccc1F
CC[C@@H](NC(=O)NCCC(=O)N1CCCC1)c1cc(F)ccc1F O=C(N1CCCC1)[*:1] CC[C@@H](NC(=O)NCC[*:1])c1cc(F)ccc1F
COc1ncnc(N)c1CN1CCCC[C@H]1c1cn[nH]c1 c1n[nH]cc1[*:1] COc1ncnc(N)c1CN1CCCC[C@@H]1[*:1]
COCCN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 COCC[*:1] CN(C(=O)[C@H]1CCCN(C1)C(=O)c1ccc2[nH]ccc2c1)[*:1]
COCCN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 COCCN(C)C(=O)[*:1] O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H](C1)[*:1]
COCCN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 COC[*:1] CN(C[*:1])C(=O)[C@H]1CCCN(C1)C(=O)c1ccc2[nH]ccc2c1
Cc1ccc(-c2nnn3c2nc([O-])c2ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc23)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nnn2c1nc([O-])c1ccc(cc12)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(-c2nnn3c2nc([O-])c2ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc23)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc2c([O-])nc3c(nnn3c2c1)[*:1])N1CCN(CC1)c1ccc(F)cc1
Cc1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc2[nH]c(=O)[nH]c2cc1NC(=O)[*:1]
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)c3ccc4c(c3)CC(=O)N4)n2n1 O=C1Cc2cc(ccc2N1)[*:1] Cc1cc(C)c2c(nc(SCC(=O)[*:1])n2n1)-c1ccccc1
Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)c3ccc4c(c3)CC(=O)N4)n2n1 c1ccc(cc1)[*:1] Cc1cc(C)c2c(nc(SCC(=O)c3ccc4NC(=O)Cc4c3)n2n1)[*:1]
O=C(Cn1nc(-c2ccco2)c2sc(N3CCCCC3)nc2c1=O)c1ccccc1 c1coc(c1)[*:1] O=C(Cn1nc(c2sc(nc2c1=O)N1CCCCC1)[*:1])c1ccccc1
O=C(Cn1nc(-c2ccco2)c2sc(N3CCCCC3)nc2c1=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=c1c2nc(sc2c(nn1C[*:1])-c1ccco1)N1CCCCC1
O=C(Cn1nc(-c2ccco2)c2sc(N3CCCCC3)nc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nc(-c2ccco2)c2sc(nc2c1=O)N1CCCCC1)[*:1]
O=C(Cn1nc(-c2ccco2)c2sc(N3CCCCC3)nc2c1=O)c1ccccc1 C1CCN(CC1)[*:1] O=C(Cn1nc(-c2ccco2)c2sc(nc2c1=O)[*:1])c1ccccc1
O=C(Cn1nc(-c2ccco2)c2sc(N3CCCCC3)nc2c1=O)c1ccccc1 O=C(C[*:1])c1ccccc1 O=c1c2nc(sc2c(nn1[*:1])-c1ccco1)N1CCCCC1
C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)c1cncc(F)c1 Fc1cncc(c1)[*:1] C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(c1nc(C)c(C)s1)C3=O Oc1cccc(c1)[*:1] Cc1ccc2oc3C(=O)N(c4nc(C)c(C)s4)[C@H](c3c(=O)c2c1)[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(c1nc(C)c(C)s1)C3=O Cc1nc(sc1C)[*:1] Cc1ccc2oc3C(=O)N([C@H](c4cccc(O)c4)c3c(=O)c2c1)[*:1]
Cc1nc(-c2ccccc2)sc1-c1ccc(=O)n(CCNC(=O)/C=C/c2ccccc2)n1 C(=C[*:1])c1ccccc1 Cc1nc(sc1-c1ccc(=O)n(CCNC(=O)[*:1])n1)-c1ccccc1
Cc1nc(-c2ccccc2)sc1-c1ccc(=O)n(CCNC(=O)/C=C/c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc(sc1-c1ccc(=O)n(CCNC(=O)C=C[*:1])n1)-c1ccccc1
Cc1nc(-c2ccccc2)sc1-c1ccc(=O)n(CCNC(=O)/C=C/c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nc(sc1-c1ccc(=O)n(CCNC(=O)/C=C/c2ccccc2)n1)[*:1]
O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccccc1C(=O)[O-] O=C([O-])c1ccccc1[*:1] O=C1CCCC2=C1[C@@H](CC(=O)N2[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccccc1C(=O)[O-] O=C([O-])[*:1] O=C1CCCC2=C1[C@@H](CC(=O)N2c1ccccc1[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccccc1C(=O)[O-] O=[N+]([O-])[*:1] O=C1CCCC2=C1[C@@H](CC(=O)N2c1ccccc1C(=O)[O-])c1ccc(cc1)[*:1]
O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccccc1C(=O)[O-] O=[N+]([O-])c1ccc(cc1)[*:1] O=C1CCCC2=C1[C@H](CC(=O)N2c1ccccc1C(=O)[O-])[*:1]
CC(=O)N1CCCN(C(=O)c2cc([C@@H]3CCCN(C(=O)c4cccc(C)c4)C3)no2)CC1 Cc1cccc(c1)[*:1] CC(=O)N1CCCN(CC1)C(=O)c1cc(no1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)n1-c1nccs1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)CSc2nnc(n2C)[*:1])c(C)n1-c1nccs1
Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)n1-c1nccs1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CSc2nnc(C[*:1])n2C)c(C)n1-c1nccs1
Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)n1-c1nccs1 c1csc(n1)[*:1] Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)n1[*:1]
O=C(NC1CCN(C(=O)NC2CCCCCCC2)CC1)c1ccccc1F C1CCCC(CCC1)[*:1] O=C(NC1CCN(CC1)C(=O)N[*:1])c1ccccc1F
O=C(NC1CCN(C(=O)NC2CCCCCCC2)CC1)c1ccccc1F Fc1ccccc1[*:1] O=C(NC1CCCCCCC1)N1CCC(CC1)NC(=O)[*:1]
c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCOCC4)c23)c1 c1csc(c1)[*:1] c1sc2nc(CN3CCOCC3)nc(c2c1[*:1])N1CCOCC1
c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCOCC4)c23)c1 C1CN(CCO1)[*:1] c1csc(c1)-c1csc2nc(CN3CCOCC3)nc(c12)[*:1]
c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCOCC4)c23)c1 C1CN(CCO1)[*:1] c1csc(c1)-c1csc2nc(C[*:1])nc(c12)N1CCOCC1
c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCOCC4)c23)c1 C1CN(CCO1)C[*:1] c1csc(c1)-c1csc2nc(nc(c12)N1CCOCC1)[*:1]
COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cc5cccc(OC)c5o4)ccc32)cc1 COc1ccc(cc1)[*:1] COc1cccc2cc(oc12)C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cc5cccc(OC)c5o4)ccc32)cc1 COc1cccc2cc(oc12)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCCc2cc(ccc21)NC(=O)[*:1]
CCc1ccc(CCC(=O)N2CC[C@H](C(=O)OC)c3ccccc32)cc1 CCc1ccc(cc1)[*:1] COC(=O)[C@H]1CCN(C(=O)CC[*:1])c2ccccc21
CCc1ccc(CCC(=O)N2CC[C@H](C(=O)OC)c3ccccc32)cc1 COC(=O)[*:1] CCc1ccc(cc1)CCC(=O)N1CC[C@H](c2ccccc21)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)OCc2nc3ccccc3o2)cc1 c1ccc2oc(nc2c1)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)OC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)OCc2nc3ccccc3o2)cc1 Cc1noc(C)c1[*:1] O=C(OCc1nc2ccccc2o1)c1ccc(cc1)OC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)OCc2nc3ccccc3o2)cc1 Cc1noc(C)c1CO[*:1] O=C(OCc1nc2ccccc2o1)c1ccc(cc1)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)OCc2nc3ccccc3o2)cc1 Cc1noc(C)c1C[*:1] O=C(OCc1nc2ccccc2o1)c1ccc(cc1)O[*:1]
Cc1cc(CN2CCN(C(=O)NCCc3ccccn3)CC2)on1 Cc1cc(C[*:1])on1 O=C(NCCc1ccccn1)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)NCCc3ccccn3)CC2)on1 c1ccc(CC[*:1])nc1 Cc1cc(CN2CCN(CC2)C(=O)N[*:1])on1
Cc1cc(CN2CCN(C(=O)NCCc3ccccn3)CC2)on1 c1ccc(C[*:1])nc1 Cc1cc(CN2CCN(CC2)C(=O)NC[*:1])on1
Cc1cc(CN2CCN(C(=O)NCCc3ccccn3)CC2)on1 Cc1cc(on1)[*:1] O=C(NCCc1ccccn1)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)NCCc3ccccn3)CC2)on1 c1ccc(nc1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)NCC[*:1])on1
Cc1nn(C)c(C)c1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCC1 Cc1nn(C)c(C)c1[*:1] O=c1[nH]n(c2N=C(O)C[C@H](c21)[*:1])C1CCCCC1
Cc1nn(C)c(C)c1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCC1 C1CCC(CC1)[*:1] Cc1nn(C)c(C)c1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2[*:1]
OCCc1cn([C@@H]2CCOC3(CCSCC3)C2)nn1 OCC[*:1] c1c(nnn1[C@@H]1CCOC2(CCSCC2)C1)[*:1]
Cc1[nH]ncc1C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C Fc1ccc(cc1)[*:1] Cc1[nH]ncc1C(=O)N[C@H](C(C)(C)C)[*:1]
Cc1[nH]ncc1C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C Cc1[nH]ncc1[*:1] CC(C)(C)[C@H](NC(=O)[*:1])c1ccc(F)cc1
Cc1[nH]ncc1C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C CC(C)(C)[*:1] Cc1[nH]ncc1C(=O)N[C@H](c1ccc(F)cc1)[*:1]
Cc1ccsc1C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2 Cc1ccsc1[*:1] O=C(NNS(=O)(=O)c1ccc2CCCCc2c1)[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C CCc1nn(C)cc1[*:1] CN(C[C@@H]1CCCN1C(=O)NC[*:1])C(=O)OC(C)(C)C
CCc1nn(C)cc1CNC(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C CN(C(=O)OC(C)(C)C)[*:1] CCc1nn(C)cc1CNC(=O)N1CCC[C@H]1C[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C CCc1nn(C)cc1C[*:1] CN(C[C@@H]1CCCN1C(=O)N[*:1])C(=O)OC(C)(C)C
CCc1nn(C)cc1CNC(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C CC(C)(C)[*:1] CCc1nn(C)cc1CNC(=O)N1CCC[C@H]1CN(C)C(=O)O[*:1]
C[C@H](Sc1nc2ccccc2n1C(F)F)C(=O)N1CCc2sccc2C1 FC(F)[*:1] C[C@H](Sc1nc2ccccc2n1[*:1])C(=O)N1CCc2sccc2C1
CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)nc2ccc(Cl)cc2c1=O c1cc2OCCOc2cc1[*:1] CC(C)Cn1c(nc2ccc(Cl)cc2c1=O)SCC(=O)N[C@H](C)[*:1]
CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)nc2ccc(Cl)cc2c1=O CC(C)[*:1] C[C@@H](NC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1C[*:1])c1ccc2OCCOc2c1
CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)nc2ccc(Cl)cc2c1=O CC(C)C[*:1] C[C@@H](NC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1[*:1])c1ccc2OCCOc2c1
Fc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cc1 Fc1ccc(cc1)O[*:1] Fc1ccc2ncnc(c2c1)N1CCC(CC1)[*:1]
Fc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cc1 Fc1ccc(cc1)[*:1] Fc1ccc2ncnc(c2c1)N1CCC(CC1)O[*:1]
CSc1ccc(NC(=O)[C@H](C)Sc2nnnn2C)cc1 Cn1nnnc1[*:1] CSc1ccc(cc1)NC(=O)[C@H](C)S[*:1]
CCNC(=O)c1cc(NC(=O)C(C)C)cc2nc(C)ccc12 CC(C)[*:1] CCNC(=O)c1cc(cc2nc(C)ccc12)NC(=O)[*:1]
CCNC(=O)c1cc(NC(=O)C(C)C)cc2nc(C)ccc12 CC(C)C(=O)N[*:1] CCNC(=O)c1cc(cc2nc(C)ccc12)[*:1]
CCNC(=O)c1cc(NC(=O)C(C)C)cc2nc(C)ccc12 CCNC(=O)[*:1] Cc1ccc2c(cc(cc2n1)NC(=O)C(C)C)[*:1]
Cc1nc(NC(=O)[C@@H](C)OCC(F)(F)F)sc1-c1ccccn1 FC(F)(F)[*:1] Cc1nc(NC(=O)[C@@H](C)OC[*:1])sc1-c1ccccn1
Cc1nc(NC(=O)[C@@H](C)OCC(F)(F)F)sc1-c1ccccn1 c1ccc(nc1)[*:1] Cc1nc(NC(=O)[C@@H](C)OCC(F)(F)F)sc1[*:1]
Cc1nc(NC(=O)[C@@H](C)OCC(F)(F)F)sc1-c1ccccn1 FC(F)(F)CO[*:1] Cc1nc(NC(=O)[C@@H](C)[*:1])sc1-c1ccccn1
Cc1nc(NC(=O)[C@@H](C)OCC(F)(F)F)sc1-c1ccccn1 FC(F)(F)C[*:1] Cc1nc(NC(=O)[C@@H](C)O[*:1])sc1-c1ccccn1
Cc1ccc(-c2n[nH]cc2CN(C)[C@H](C(N)=O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN(C)[C@H](C(N)=O)[*:1]
Cc1ccc(-c2n[nH]cc2CN(C)[C@H](C(N)=O)c2cccc(F)c2)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN(C)[C@H](c1cccc(F)c1)[*:1]
Cc1ccc(-c2n[nH]cc2CN(C)[C@H](C(N)=O)c2cccc(F)c2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1c[nH]nc1[*:1])[C@H](C(N)=O)c1cccc(F)c1
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C=C[C@H](CO)C1 c1ccc(cc1)[*:1] C[NH+](C)C[C@@H](C[*:1])NC(=O)N[C@@H]1C=C[C@H](CO)C1
C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C=C[C@H](CO)C1 c1ccc(cc1)C[*:1] C[NH+](C)C[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)[*:1]
C/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])cs1 c1ccc(cc1)[*:1] C/C(=N/NC(=O)C(c1ccccc1)[*:1])c1cc(cs1)[N+](=O)[O-]
C/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])cs1 O=[N+]([O-])[*:1] C/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)c1cc(cs1)[*:1]
CCOc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1S(=O)(=O)N(C)C CCO[*:1] Cc1nc2ccc(cc2nc1C)C(=O)Nc1ccc(c(c1)S(=O)(=O)N(C)C)[*:1]
CCOc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] CCOc1ccc(cc1[*:1])NC(=O)c1ccc2nc(C)c(C)nc2c1
CN(C)C(=O)c1ccc(C[NH+](Cc2cc(F)ccc2F)C2CCCC2)[nH]1 CN(C)C(=O)[*:1] Fc1ccc(F)c(c1)C[NH+](Cc1ccc([nH]1)[*:1])C1CCCC1
CN(C)C(=O)c1ccc(C[NH+](Cc2cc(F)ccc2F)C2CCCC2)[nH]1 C1CCC(C1)[*:1] CN(C)C(=O)c1ccc(C[NH+](Cc2cc(F)ccc2F)[*:1])[nH]1
CN(C)C(=O)c1ccc(C[NH+](Cc2cc(F)ccc2F)C2CCCC2)[nH]1 Fc1ccc(F)c(c1)[*:1] CN(C)C(=O)c1ccc(C[NH+](C[*:1])C2CCCC2)[nH]1
CS(=O)(=O)N1CCC(C(=O)NCCCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)NCCC[*:1]
C=CCN(C(=O)C[C@H](C)c1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 CCc1ccc(cc1)[*:1] C=CCN(C(=O)C[C@H](C)[*:1])[C@H]1CCS(=O)(=O)C1
C=CCN(C(=O)C[C@H](C)c1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C=CCN(C(=O)C[C@H](C)c1ccc(cc1)CC)[*:1]
C=CCN(C(=O)C[C@H](C)c1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 C=CC[*:1] CCc1ccc(cc1)[C@@H](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CC[C@H](NC(=O)C(=O)c1ccc(OC)cc1)c1c(C)nn(C)c1C COc1ccc(cc1)[*:1] CC[C@H](NC(=O)C(=O)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)C(=O)c1ccc(OC)cc1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)C(=O)c1ccc(cc1)OC)[*:1]
Cc1cc(C)nc(-n2cc(C(=O)[C@H](C#N)c3ccccn3)c(C(C)C)n2)n1 Cc1cc(C)nc(n1)[*:1] CC(C)c1nn(cc1C(=O)[C@H](C#N)c1ccccn1)[*:1]
Cc1cc(C)nc(-n2cc(C(=O)[C@H](C#N)c3ccccn3)c(C(C)C)n2)n1 c1ccc(nc1)[*:1] Cc1cc(C)nc(n1)-n1cc(C(=O)[C@H](C#N)[*:1])c(n1)C(C)C
Cc1cc(C)nc(-n2cc(C(=O)[C@H](C#N)c3ccccn3)c(C(C)C)n2)n1 CC(C)[*:1] Cc1cc(C)nc(n1)-n1cc(C(=O)[C@H](C#N)c2ccccn2)c(n1)[*:1]
Cc1ccn([C@@H](C)CC(=O)Nc2cccc(Cl)c2)n1 Cc1ccn(n1)[*:1] C[C@@H](CC(=O)Nc1cccc(Cl)c1)[*:1]
O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCC2(CC1)OCCO2 Fc1ccc(cc1)[*:1] O=C(c1nn(cc1[O-])[*:1])N1CCC2(CC1)OCCO2
C[C@@H](NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](NC[C@@H](O)c1c(Cl)cccc1Cl)[*:1]
CCCN(CC1CC1)C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 C1CC1[*:1] CCCN(C[*:1])C(=O)Nc1ccc2CCN(C(=O)NCC)c2c1
CCCN(CC1CC1)C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 C1CC1C[*:1] CCCN(C(=O)Nc1ccc2CCN(C(=O)NCC)c2c1)[*:1]
CCCN(CC1CC1)C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 CCC[*:1] CCNC(=O)N1CCc2ccc(cc21)NC(=O)N(CC1CC1)[*:1]
C[C@H](Cn1cncn1)NC(=O)NCc1csc(N(C)C)n1 CN(C)[*:1] C[C@H](Cn1cncn1)NC(=O)NCc1csc(n1)[*:1]
C[C@H](Cn1cncn1)NC(=O)NCc1csc(N(C)C)n1 c1ncn(C[*:1])n1 C[C@H](NC(=O)NCc1csc(n1)N(C)C)[*:1]
C[C@H](Cn1cncn1)NC(=O)NCc1csc(N(C)C)n1 c1ncn(n1)[*:1] C[C@H](C[*:1])NC(=O)NCc1csc(n1)N(C)C
N/C(CCN(Cc1cccnc1)C(=O)N1CCCC1)=N/O N/C(=N/O)[*:1] O=C(N1CCCC1)N(CC[*:1])Cc1cccnc1
N/C(CCN(Cc1cccnc1)C(=O)N1CCCC1)=N/O c1cncc(c1)[*:1] N/C(CCN(C[*:1])C(=O)N1CCCC1)=N/O
N/C(CCN(Cc1cccnc1)C(=O)N1CCCC1)=N/O c1cncc(c1)C[*:1] N/C(CCN(C(=O)N1CCCC1)[*:1])=N/O
N/C(CCN(Cc1cccnc1)C(=O)N1CCCC1)=N/O N/C(C[*:1])=N/O O=C(N1CCCC1)N(Cc1cccnc1)C[*:1]
N/C(CCN(Cc1cccnc1)C(=O)N1CCCC1)=N/O N/C(CC[*:1])=N/O O=C(N1CCCC1)N(Cc1cccnc1)[*:1]
O=C(c1cc2ccccc2o1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1cc2ccccc2o1)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
O=C(c1cc2ccccc2o1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 c1ccc2oc(cc2c1)[*:1] O=C(N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1)[*:1]
C[C@@H]1CCOCCN1C(=O)NCc1cccnc1OCC(F)(F)F FC(F)(F)CO[*:1] C[C@@H]1CCOCCN1C(=O)NCc1cccnc1[*:1]
C[C@@H]1CCOCCN1C(=O)NCc1cccnc1OCC(F)(F)F FC(F)(F)[*:1] C[C@@H]1CCOCCN1C(=O)NCc1cccnc1OC[*:1]
C[C@@H]1CCOCCN1C(=O)NCc1cccnc1OCC(F)(F)F FC(F)(F)C[*:1] C[C@@H]1CCOCCN1C(=O)NCc1cccnc1O[*:1]
C[C@@H](CNC(=O)NCc1cccc(CN2CCCC2=O)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)NCc1cccc(c1)CN1CCCC1=O)[*:1]
C[C@@H](CNC(=O)NCc1cccc(CN2CCCC2=O)c1)c1ccsc1 O=C1CCCN1[*:1] C[C@@H](CNC(=O)NCc1cccc(c1)C[*:1])c1ccsc1
C[C@@H](CNC(=O)NCc1cccc(CN2CCCC2=O)c1)c1ccsc1 O=C1CCCN1C[*:1] C[C@@H](CNC(=O)NCc1cccc(c1)[*:1])c1ccsc1
CCN(CC)c1ccc(C(=O)NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 CC(=O)[*:1] CCN(CC)c1ccc(cc1)C(=O)NNC(=O)c1[nH]c(C)c(c1C)[*:1]
CCN(CC)c1ccc(C(=O)NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 CCN(CC)[*:1] CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(cc2)[*:1])c1C
COC(=O)c1ccc(CN[C@@H](c2cccs2)C(C)(C)C)cc1F c1csc(c1)[*:1] COC(=O)c1ccc(cc1F)CN[C@@H](C(C)(C)C)[*:1]
COC(=O)c1ccc(CN[C@@H](c2cccs2)C(C)(C)C)cc1F CC(C)(C)[*:1] COC(=O)c1ccc(cc1F)CN[C@@H](c1cccs1)[*:1]
COC(=O)c1ccc(CN[C@@H](c2cccs2)C(C)(C)C)cc1F COC(=O)[*:1] CC(C)(C)[C@@H](NCc1ccc(c(F)c1)[*:1])c1cccs1
Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc4ccccc34)nn2)s1 Cc1nc(C)c(s1)[*:1] O=C(CSc1ccc(nn1)[*:1])Nc1cccc2ccccc12
CCc1ccc(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)o1 CCc1ccc(o1)[*:1] NC(=O)c1cc(n[nH]1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCc1ccc(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)o1 NC(=O)[*:1] CCc1ccc(o1)C(=O)N1CCC[C@H](C1)c1cc([nH]n1)[*:1]
Cc1cc(CN2CCOCC2)oc1C(=O)N1CCC(c2ccncc2)CC1 C1CN(CCO1)[*:1] Cc1cc(C[*:1])oc1C(=O)N1CCC(CC1)c1ccncc1
Cc1cc(CN2CCOCC2)oc1C(=O)N1CCC(c2ccncc2)CC1 C1CN(CCO1)C[*:1] Cc1cc(oc1C(=O)N1CCC(CC1)c1ccncc1)[*:1]
Cc1cc(CN2CCOCC2)oc1C(=O)N1CCC(c2ccncc2)CC1 c1cc(ccn1)[*:1] Cc1cc(CN2CCOCC2)oc1C(=O)N1CCC(CC1)[*:1]
Cc1ccc(C(=O)Nc2nnc(Cc3ccc(S(=O)(=O)C(C)C)cc3)o2)cc1 CC(C)S(=O)(=O)[*:1] Cc1ccc(cc1)C(=O)Nc1nnc(Cc2ccc(cc2)[*:1])o1
Cc1ccc(C(=O)Nc2nnc(Cc3ccc(S(=O)(=O)C(C)C)cc3)o2)cc1 Cc1ccc(cc1)[*:1] CC(C)S(=O)(=O)c1ccc(cc1)Cc1nnc(NC(=O)[*:1])o1
Cc1ccc(C(=O)Nc2nnc(Cc3ccc(S(=O)(=O)C(C)C)cc3)o2)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)Nc1nnc(Cc2ccc(cc2)S(=O)(=O)[*:1])o1
Cc1nc(CN(CCO)Cc2cc(Br)ccc2F)cs1 OCC[*:1] Cc1nc(cs1)CN(Cc1cc(Br)ccc1F)[*:1]
Cc1nc(CN(CCO)Cc2cc(Br)ccc2F)cs1 Cc1nc(cs1)[*:1] OCCN(Cc1cc(Br)ccc1F)C[*:1]
CC(C)C(=O)C[C@@H](C1=C([O-])c2ccccc2C1=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C(=O)C[C@@H](C1C(=O)c2ccccc2C=1[O-])[*:1]
CC(C)C(=O)C[C@@H](C1=C([O-])c2ccccc2C1=O)c1ccccc1 CC(C)C(=O)C[*:1] O=C1C(=C([O-])c2ccccc21)[C@@H](c1ccccc1)[*:1]
CC(C)C(=O)C[C@@H](C1=C([O-])c2ccccc2C1=O)c1ccccc1 CC(C)[*:1] O=C1C(=C([O-])c2ccccc21)[C@H](CC(=O)[*:1])c1ccccc1
CC(C)C(=O)C[C@@H](C1=C([O-])c2ccccc2C1=O)c1ccccc1 CC(C)C(=O)[*:1] O=C1C(=C([O-])c2ccccc21)[C@H](C[*:1])c1ccccc1
COCc1ccc(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2)cc1 COC[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@@H](CO)c1ccc(Cl)cc1
COCc1ccc(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COCc1ccc(cc1)CNC(=O)N[C@@H](CO)[*:1]
[NH3+][C@@H]1CCC[C@@H](Oc2nnnn2-c2ccccc2)C1 c1ccc(cc1)[*:1] [NH3+][C@@H]1CCC[C@H](C1)Oc1nnnn1[*:1]
C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](C1)N[*:1]
C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[*:1])C(=O)N1CC[C@@H](C1)Nc1ccccc1
C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@H](C1)[*:1]
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)N1CCC(CC1)[*:1]
Cc1ccc(NC(=O)N2CCC(c3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])N1CCC(CC1)c1ccccc1
CCCN(Cc1ccccc1)C(=O)c1ccc2c([O-])n(C)c(=S)nc2c1 c1ccc(cc1)C[*:1] CCCN(C(=O)c1ccc2c([O-])n(C)c(=S)nc2c1)[*:1]
CCCN(Cc1ccccc1)C(=O)c1ccc2c([O-])n(C)c(=S)nc2c1 c1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)c1ccc2c([O-])n(C)c(=S)nc2c1
CCCN(Cc1ccccc1)C(=O)c1ccc2c([O-])n(C)c(=S)nc2c1 CCC[*:1] Cn1c([O-])c2ccc(cc2nc1=S)C(=O)N(Cc1ccccc1)[*:1]
COc1cccc2cc(C(=O)NC[C@@](C)(O)CCSC)oc12 CSC[*:1] COc1cccc2cc(oc12)C(=O)NC[C@@](C)(O)C[*:1]
COc1cccc2cc(C(=O)NC[C@@](C)(O)CCSC)oc12 CSCC[*:1] COc1cccc2cc(oc12)C(=O)NC[C@@](C)(O)[*:1]
C[C@@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1CCOC1 C[C@@H](O)[*:1] O=C([C@@H]1CCOC1)N1CCC[C@H]1C[*:1]
C[C@@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1CCOC1 C[C@@H](O)C[*:1] O=C([C@@H]1CCOC1)N1CCC[C@H]1[*:1]
C[C@@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@@H](O)C[C@@H]1CCCN1C(=O)[*:1]
CC[C@@H](C)NC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 CC[C@@H](C)[*:1] O=C(N[*:1])N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F
CC[C@@H](C)NC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] CC[C@@H](C)NC(=O)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
CC(C)(C#CC#CC(C)(C)OCCC#N)OCCC#N N#CCC[*:1] CC(C)(C#CC#CC(C)(C)O[*:1])OCCC#N
CC(C)(C#CC#CC(C)(C)OCCC#N)OCCC#N N#CCCO[*:1] CC(C)(C#CC#CC(C)(C)[*:1])OCCC#N
CC(C)(C#CC#CC(C)(C)OCCC#N)OCCC#N N#CC[*:1] CC(C)(C#CC#CC(C)(C)OC[*:1])OCCC#N
CC(C)c1cc(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)on1 CC(C)[*:1] O=C(NCc1cc(no1)[*:1])C(=O)Nc1ccc(F)c(Cl)c1
COc1cc(Cl)c(C)cc1NC(=O)CS(=O)(=O)c1ccccc1F Fc1ccccc1[*:1] COc1cc(Cl)c(C)cc1NC(=O)CS(=O)(=O)[*:1]
Nc1ncc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] Nc1ncc(cc1F)[*:1]
CC(C)(C)N(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)c1cccs1 CC(C)(C)[*:1] O=C1[NH+]=c2ccccc2=C[C@@H]1CN(C(=O)c1cccs1)[*:1]
CC(C)(C)N(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)c1cccs1 c1csc(c1)[*:1] CC(C)(C)N(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)[*:1]
CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 Fc1ccc(cc1F)[*:1] CN(Cc1ccccc1)C(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(F)c(F)c1
CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(F)c(F)c1)[*:1]
C[C@]12CC[C@H](C[C@@H]1C(=O)NCc1ccco1)[C@]1(C2)NC(=O)c2ccccc2N1 O=C(NCc1ccco1)[*:1] C[C@]12CC[C@H](C[C@H]1[*:1])[C@]1(C2)NC(=O)c2ccccc2N1
C[C@]12CC[C@H](C[C@@H]1C(=O)NCc1ccco1)[C@]1(C2)NC(=O)c2ccccc2N1 c1coc(c1)C[*:1] C[C@]12CC[C@H](C[C@@H]1C(=O)N[*:1])[C@]1(C2)NC(=O)c2ccccc2N1
C[C@]12CC[C@H](C[C@@H]1C(=O)NCc1ccco1)[C@]1(C2)NC(=O)c2ccccc2N1 c1coc(c1)[*:1] C[C@]12CC[C@H](C[C@@H]1C(=O)NC[*:1])[C@]1(C2)NC(=O)c2ccccc2N1
Cc1nc(-c2cccs2)sc1C(=O)N1CCC(C)(C)C1 c1csc(c1)[*:1] Cc1nc(sc1C(=O)N1CCC(C)(C)C1)[*:1]
Cc1sc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)N1CCN(CC1)C(=O)N[*:1]
Cc1sc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1sc(cc1[*:1])C(=O)N1CCN(CC1)C(=O)Nc1ccc(F)cc1
Cc1sc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] Cc1sc(cc1[N+](=O)[O-])[*:1] O=C(Nc1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)N[C@@H](c3ncc(C)s3)C3CC3)CC2)cc1 CCO[*:1] Cc1cnc(s1)[C@H](NC(=O)N1CC=C(CC1)c1ccc(cc1)[*:1])C1CC1
CCOc1ccc(C2=CCN(C(=O)N[C@@H](c3ncc(C)s3)C3CC3)CC2)cc1 C1CC1[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)N[C@@H](c1ncc(C)s1)[*:1]
CCOc1ccc(C2=CCN(C(=O)N[C@@H](c3ncc(C)s3)C3CC3)CC2)cc1 Cc1cnc(s1)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)N[C@@H](C1CC1)[*:1]
CCOc1ccc(C2=CCN(C(=O)N[C@@H](c3ncc(C)s3)C3CC3)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1cnc(s1)[C@H](NC(=O)N1CC=C(CC1)[*:1])C1CC1
CCOC(=O)C1=C(Cn2ccnc2)NC(=O)N[C@H]1c1cccs1 CCOC(=O)[*:1] O=C1NC(Cn2ccnc2)=C([C@@H](N1)c1cccs1)[*:1]
CCOC(=O)C1=C(Cn2ccnc2)NC(=O)N[C@H]1c1cccs1 c1cn(cn1)[*:1] CCOC(=O)C1=C(C[*:1])NC(=O)N[C@H]1c1cccs1
CCOC(=O)C1=C(Cn2ccnc2)NC(=O)N[C@H]1c1cccs1 c1cn(cn1)C[*:1] CCOC(=O)C1=C(NC(=O)N[C@H]1c1cccs1)[*:1]
CCOC(=O)C1=C(Cn2ccnc2)NC(=O)N[C@H]1c1cccs1 c1csc(c1)[*:1] CCOC(=O)C1=C(Cn2ccnc2)NC(=O)N[C@@H]1[*:1]
NC(=O)CCOc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 NC(=O)[*:1] O=C(Nc1ccccc1OCC[*:1])c1ccc(Cl)c(Cl)c1
NC(=O)CCOc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 NC(=O)CCO[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Cl)c(Cl)c1
NC(=O)CCOc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 NC(=O)C[*:1] O=C(Nc1ccccc1OC[*:1])c1ccc(Cl)c(Cl)c1
NC(=O)CCOc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 NC(=O)CC[*:1] O=C(Nc1ccccc1O[*:1])c1ccc(Cl)c(Cl)c1
CC1=NN(CCNc2cccc(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 Clc1cccc(c1)NC[*:1] CC1Cn2c(nc3c2c(=O)n(C)c(=O)n3C)N(C[*:1])N=1
CC1=NN(CCNc2cccc(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 Clc1cccc(c1)[*:1] CC1Cn2c(nc3c2c(=O)n(C)c(=O)n3C)N(CCN[*:1])N=1
CC1=NN(CCNc2cccc(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 Clc1cccc(c1)N[*:1] CC1Cn2c(nc3c2c(=O)n(C)c(=O)n3C)N(CC[*:1])N=1
O=C(Cc1ccccc1)OCCN1CCN(C(=O)c2cccc(O)c2)CC1 Oc1cccc(c1)[*:1] O=C(Cc1ccccc1)OCCN1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccccc1)OCCN1CCN(C(=O)c2cccc(O)c2)CC1 c1ccc(cc1)[*:1] O=C(C[*:1])OCCN1CCN(CC1)C(=O)c1cccc(O)c1
O=C(Cc1ccccc1)OCCN1CCN(C(=O)c2cccc(O)c2)CC1 c1ccc(cc1)C[*:1] O=C(c1cccc(O)c1)N1CCN(CCOC(=O)[*:1])CC1
CC1=C2[C@H](c3ccccc3Br)CC(=O)N[C@@H]2N(c2ccc([O-])nn2)N1 Brc1ccccc1[*:1] CC1NN(c2ccc([O-])nn2)[C@H]2NC(=O)C[C@@H](C=12)[*:1]
CCOc1nnc(CN2CCCC[C@@H]2Cn2cc(C)cn2)s1 Cc1cnn(c1)C[*:1] CCOc1nnc(CN2CCCC[C@H]2[*:1])s1
CCOc1nnc(CN2CCCC[C@@H]2Cn2cc(C)cn2)s1 CCO[*:1] Cc1cnn(c1)C[C@H]1CCCCN1Cc1nnc(s1)[*:1]
CCOc1nnc(CN2CCCC[C@@H]2Cn2cc(C)cn2)s1 Cc1cnn(c1)[*:1] CCOc1nnc(CN2CCCC[C@@H]2C[*:1])s1
Cc1cccc(OCC[NH+](C)CCn2c(=O)oc3cccnc32)c1 Cc1cccc(c1)O[*:1] C[NH+](CCn1c(=O)oc2cccnc21)CC[*:1]
Cc1cccc(OCC[NH+](C)CCn2c(=O)oc3cccnc32)c1 Cc1cccc(c1)[*:1] C[NH+](CCO[*:1])CCn1c(=O)oc2cccnc21
CC(C)(C)OC(=O)N1CCC[C@@H]1C[S@](=O)c1cnccn1 c1cnc(cn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H]1C[S@](=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]1C[S@](=O)c1cnccn1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H]1C[S@](=O)c1cnccn1
Cc1ccc(C(=O)NCCc2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)C(=O)NCC[*:1]
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)O[*:1])C(=O)N1C[C@H]2CCCC[C@@H]2C1
CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 CC(C)O[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1C[C@H]2CCCC[C@@H]2C1
CN(Cc1nccn1C(F)F)Cn1nnc2ccccc2c1=O FC(F)[*:1] CN(Cc1nccn1[*:1])Cn1nnc2ccccc2c1=O
Cc1ccc(C(=O)N2[C@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 CC(C)C[*:1] Cc1ccc(cc1)C(=O)N1[C@@H](COC12CCN(CC2)C(=O)c1ccccc1C)C(=O)N[*:1]
Cc1ccc(C(=O)N2[C@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)C(=O)N1[C@@H](COC12CCN(CC2)C(=O)[*:1])C(=O)NCC(C)C
Cc1ccc(C(=O)N2[C@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 CC(C)CNC(=O)[*:1] Cc1ccc(cc1)C(=O)N1[C@H](COC12CCN(CC2)C(=O)c1ccccc1C)[*:1]
Cc1ccc(C(=O)N2[C@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N1[C@@H](COC12CCN(CC2)C(=O)c1ccccc1C)C(=O)NC[*:1]
Cc1ccc(C(=O)N2[C@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCC(C)C)N2C(=O)[*:1]
CCOc1cccc(CNC(=O)N2CCN(C(=O)CCC(C)C)CC2)c1 CC(C)C[*:1] CCOc1cccc(c1)CNC(=O)N1CCN(CC1)C(=O)C[*:1]
CCOc1cccc(CNC(=O)N2CCN(C(=O)CCC(C)C)CC2)c1 CC(C)[*:1] CCOc1cccc(c1)CNC(=O)N1CCN(CC1)C(=O)CC[*:1]
CCOc1cccc(CNC(=O)N2CCN(C(=O)CCC(C)C)CC2)c1 CC(C)CC[*:1] CCOc1cccc(c1)CNC(=O)N1CCN(CC1)C(=O)[*:1]
CCOc1cccc(CNC(=O)N2CCN(C(=O)CCC(C)C)CC2)c1 CCO[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)NCc1cccc(c1)[*:1]
N/C(=N/O)[C@@H]1CN(S(=O)(=O)C(F)F)CCO1 N/C(=N/O)[*:1] O=S(=O)(C(F)F)N1CCO[C@@H](C1)[*:1]
N/C(=N/O)[C@@H]1CN(S(=O)(=O)C(F)F)CCO1 FC(F)[*:1] N/C(=N/O)[C@@H]1CN(CCO1)S(=O)(=O)[*:1]
COc1ccc(/C=N/O)c2ccccc12 ON=C[*:1] COc1ccc(c2ccccc12)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2csc(-c3cnn(C)c3)n2)C1 COC(=O)[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2csc(-c3cnn(C)c3)n2)C1 Cn1cc(cn1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1csc(n1)[*:1]
CC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C)CC[C@H](C)C3 CC(=O)[C@H](C)[*:1] C[C@H]1CCc2c(C1)sc1nc(S[*:1])n(C)c(=O)c21
CC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C)CC[C@H](C)C3 CC(=O)[*:1] C[C@H]1CCc2c(C1)sc1nc(S[C@@H](C)[*:1])n(C)c(=O)c21
CC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C)CC[C@H](C)C3 CC(=O)[C@H](C)S[*:1] C[C@H]1CCc2c(C1)sc1nc(n(C)c(=O)c21)[*:1]
CCn1c(-c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)nc2ccccc21 Fc1ccc(c(F)c1)[*:1] CCn1c(nc2ccccc21)-c1csc(n1)N(C(C)=O)[*:1]
CCOc1ccccc1CN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] CCOc1ccccc1CN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)N[*:1]
CCOc1ccccc1CN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)NC1CCCCCC1 O=C(NC1CCCCCC1)[*:1] CCOc1ccccc1CN1C(=O)c2cc3oc(C)cc3n2C[C@@]1(C)[*:1]
CCOc1ccccc1CN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)NC1CCCCCC1 CCOc1ccccc1C[*:1] Cc1cc2c(cc3C(=O)N([C@](C)(Cn32)C(=O)NC2CCCCCC2)[*:1])o1
CCOc1ccccc1CN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)NC1CCCCCC1 CCOc1ccccc1[*:1] Cc1cc2c(cc3C(=O)N(C[*:1])[C@](C)(Cn32)C(=O)NC2CCCCCC2)o1
CCOc1ccccc1CN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)NC1CCCCCC1 CCO[*:1] Cc1cc2c(cc3C(=O)N(Cc4ccccc4[*:1])[C@](C)(Cn32)C(=O)NC2CCCCCC2)o1
COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)cc1OC Cc1nccn1[*:1] COc1ccc(cc1OC)C[NH2+]Cc1ccc(c(F)c1)[*:1]
CCOc1cc(NC(=O)N(C)C[C@@H]2CCOC2)ccc1C CCO[*:1] Cc1ccc(cc1[*:1])NC(=O)N(C)C[C@@H]1CCOC1
CC1CC(NC(=O)CSCc2cccc(Cl)c2)C1 CC1CC(C1)[*:1] O=C(CSCc1cccc(Cl)c1)N[*:1]
Cc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] Clc1cccc(c1)[*:1] Cc1ccc(/C=C/C(=O)[*:1])cc1[N+](=O)[O-]
Cc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1[*:1]
CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 CC[C@@H](C)[*:1] O=S(=O)(Nc1cc2OCCCOc2cc1Cl)c1ccc(cc1)[*:1]
O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCO[C@@H](C1)[*:1]
CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)o1 Cn1cc(cn1)[*:1] CC(=O)NCc1ccc(o1)C(=O)N1CCC[C@@H]1[*:1]
CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)o1 CC(=O)N[*:1] Cn1cc(cn1)[C@@H]1CCCN1C(=O)c1ccc(C[*:1])o1
CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)o1 CC(=O)NC[*:1] Cn1cc(cn1)[C@@H]1CCCN1C(=O)c1ccc(o1)[*:1]
COC[C@@H](N)c1ccncn1 COC[*:1] N[C@@H](c1ccncn1)[*:1]
CCS[C@@H]1CC[C@H](NC(=O)N(C)CC[NH+]2CCCC2)C1 CCS[*:1] CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[C@H](C1)[*:1]
O=C(CCOCc1ccccc1)Nc1ccc(Cl)cc1Cl c1ccc(cc1)C[*:1] O=C(CCO[*:1])Nc1ccc(Cl)cc1Cl
O=C(CCOCc1ccccc1)Nc1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(CCOC[*:1])Nc1ccc(Cl)cc1Cl
CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(Cl)cc3c2=O)cc1 O=C(C[*:1])Nc1ccc(F)cc1 CCc1ccc(cc1)C(=O)c1cn(c2ccc(Cl)cc2c1=O)[*:1]
CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(Cl)cc3c2=O)cc1 CCc1ccc(cc1)C(=O)[*:1] O=C(Cn1cc(c(=O)c2cc(Cl)ccc21)[*:1])Nc1ccc(F)cc1
CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(Cl)cc3c2=O)cc1 CCc1ccc(cc1)[*:1] O=C(Cn1cc(C(=O)[*:1])c(=O)c2cc(Cl)ccc21)Nc1ccc(F)cc1
CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(Cl)cc3c2=O)cc1 O=C(Nc1ccc(F)cc1)[*:1] CCc1ccc(cc1)C(=O)c1cn(C[*:1])c2ccc(Cl)cc2c1=O
CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(Cl)cc3c2=O)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)C(=O)c1cn(CC(=O)N[*:1])c2ccc(Cl)cc2c1=O
Cc1ccc([C@@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)[*:1]
Cc1ccc([C@@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@@H](c1ccccc1)[*:1]
COc1ccc(/C=C(/CBr)C(C)C)c(Cl)c1OC CC(C)[*:1] COc1ccc(/C=C(/CBr)[*:1])c(Cl)c1OC
O=C(Nc1cccs1)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 C1CCC(CC1)C[*:1] O=C(Nc1cccs1)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1cccs1)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 C1CCC(CC1)[*:1] O=C(Nc1cccs1)N[C@@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1cccs1)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 c1csc(c1)[*:1] O=C(N[C@@H]1CC(=O)N(CC2CCCCC2)C1)N[*:1]
CC[C@@H](C)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O CC[C@@H](C)[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)[*:1]
CC[C@@H](C)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O CC(=O)N[*:1] CC[C@@H](C)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
C[C@H](CCc1ccccc1F)C(=O)N1CCN(CC(N)=O)CC1 Fc1ccccc1[*:1] C[C@H](CC[*:1])C(=O)N1CCN(CC1)CC(N)=O
C[C@H](CCc1ccccc1F)C(=O)N1CCN(CC(N)=O)CC1 NC(=O)C[*:1] C[C@H](CCc1ccccc1F)C(=O)N1CCN(CC1)[*:1]
C[C@H](CCc1ccccc1F)C(=O)N1CCN(CC(N)=O)CC1 NC(=O)[*:1] C[C@H](CCc1ccccc1F)C(=O)N1CCN(CC1)C[*:1]
Cc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2cc4nc(C)cc(C)n4n2)O3)nc1 Cc1ccc(nc1)[*:1] Cc1cc(C)n2nc(cc2n1)C(=O)NC[C@H]1Cc2cc(ccc2O1)[*:1]
CCN(CC)C(=O)C1=C2c3ccccc3CC[C@H]2SC1=N CCN(CC)C(=O)[*:1] N=C1S[C@@H]2CCc3ccccc3C2=C1[*:1]
Cc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1cccnc1 c1cncc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)C[*:1]
Cc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1cccnc1 Cc1c(Cl)cccc1[*:1] C[NH+](C)CCN(Cc1cccnc1)C(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1cccnc1 c1cncc(c1)C[*:1] Cc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)[*:1]
CCc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN32)cc1 c1cncc(c1)[*:1] CCc1ccc(cc1)[C@H]1Oc2ccccc2[C@H]2CC(=NN21)[*:1]
CCc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN32)cc1 CCc1ccc(cc1)[*:1] c1cncc(c1)C1C[C@@H]2c3ccccc3O[C@@H](N2N=1)[*:1]
CN(CC1CC[NH2+]CC1)C[C@H](C#N)c1ccccc1 c1ccc(cc1)[*:1] CN(CC1CC[NH2+]CC1)C[C@H](C#N)[*:1]
COc1ccc(C)cc1Nc1c([N+](=O)[O-])nn(-c2ccccc2C)[n+]1[O-] Cc1ccccc1[*:1] COc1ccc(C)cc1Nc1c(nn([n+]1[O-])[*:1])[N+](=O)[O-]
COc1ccc(C)cc1Nc1c([N+](=O)[O-])nn(-c2ccccc2C)[n+]1[O-] O=[N+]([O-])[*:1] COc1ccc(C)cc1Nc1c(nn(-c2ccccc2C)[n+]1[O-])[*:1]
Cc1ccc(-c2nc(C[NH2+]C3CCN(c4cccc(C)[nH+]4)CC3)co2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc([nH+]1)N1CCC(CC1)[NH2+]Cc1coc(n1)[*:1]
CCCc1noc(CNc2cc(C(=O)NC3CC3)ccc2C)n1 O=C(NC1CC1)[*:1] CCCc1noc(CNc2cc(ccc2C)[*:1])n1
CCCc1noc(CNc2cc(C(=O)NC3CC3)ccc2C)n1 CCC[*:1] Cc1ccc(cc1NCc1nc(no1)[*:1])C(=O)NC1CC1
CCCc1noc(CNc2cc(C(=O)NC3CC3)ccc2C)n1 C1CC1[*:1] CCCc1noc(CNc2cc(ccc2C)C(=O)N[*:1])n1
O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1c2ccccc2c2nc3SCCn3c(=O)c21)N[*:1]
Cc1nc2nc(SCc3nc(-c4ccsc4)no3)nn2c(C)c1CC(=O)[O-] O=C([O-])C[*:1] Cc1nc2nc(nn2c(C)c1[*:1])SCc1nc(no1)-c1ccsc1
Cc1nc2nc(SCc3nc(-c4ccsc4)no3)nn2c(C)c1CC(=O)[O-] O=C([O-])[*:1] Cc1nc2nc(nn2c(C)c1C[*:1])SCc1nc(no1)-c1ccsc1
Cc1nc2nc(SCc3nc(-c4ccsc4)no3)nn2c(C)c1CC(=O)[O-] c1cc(cs1)[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)[O-])SCc1nc(no1)[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1Cc2ccccc2O1 N#CC[*:1] C[C@@H](Sc1ccccc1NC(=O)NC[C@H]1Cc2ccccc2O1)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](C)C(C)C)c1 CNC(=O)[*:1] CC(C)[C@H](C)NC(=O)Nc1cc(ccc1Cl)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](C)C(C)C)c1 CC(C)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)N[C@@H](C)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](C)C(C)C)c1 CC(C)[C@H](C)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)N[*:1]
Cc1cccc(C)c1NC(=O)[C@@H](C)O/N=C/C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)[C@@H](C)O/N=C/C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)[C@@H](C)O/N=C/C(=O)Nc1ccc(F)cc1 Cc1cccc(C)c1[*:1] C[C@@H](O/N=C/C(=O)Nc1ccc(F)cc1)C(=O)N[*:1]
CC[C@@H](C)N(C)C(=O)NCCOc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)N(C)C(=O)NCCO[*:1]
CC[C@@H](C)N(C)C(=O)NCCOc1ccccc1 CC[C@@H](C)[*:1] CN(C(=O)NCCOc1ccccc1)[*:1]
C[NH+](C)[C@H]1CCN(C(=O)C(=O)c2ccccc2)C[C@H]1CCC(=O)[O-] O=C([O-])[*:1] C[NH+](C)[C@H]1CCN(C[C@H]1CC[*:1])C(=O)C(=O)c1ccccc1
C[NH+](C)[C@H]1CCN(C(=O)C(=O)c2ccccc2)C[C@H]1CCC(=O)[O-] O=C([O-])C[*:1] C[NH+](C)[C@H]1CCN(C[C@H]1C[*:1])C(=O)C(=O)c1ccccc1
C[NH+](C)[C@H]1CCN(C(=O)C(=O)c2ccccc2)C[C@H]1CCC(=O)[O-] c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CCN(C[C@H]1CCC(=O)[O-])C(=O)C(=O)[*:1]
C[NH+](C)[C@H]1CCN(C(=O)C(=O)c2ccccc2)C[C@H]1CCC(=O)[O-] O=C([O-])CC[*:1] C[NH+](C)[C@H]1CCN(C[C@@H]1[*:1])C(=O)C(=O)c1ccccc1
COc1ccccc1N1CC2=C(C1=O)[C@@H](c1cccc([N+](=O)[O-])c1)NC(=O)N2C O=[N+]([O-])[*:1] COc1ccccc1N1CC2=C(C1=O)[C@H](NC(=O)N2C)c1cccc(c1)[*:1]
COc1ccccc1N1CC2=C(C1=O)[C@@H](c1cccc([N+](=O)[O-])c1)NC(=O)N2C O=[N+]([O-])c1cccc(c1)[*:1] COc1ccccc1N1CC2=C(C1=O)[C@@H](NC(=O)N2C)[*:1]
COc1ccccc1N1CC2=C(C1=O)[C@@H](c1cccc([N+](=O)[O-])c1)NC(=O)N2C COc1ccccc1[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC=21)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(C1CC=CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] O=C(C1CC=CC1)N1CCc2ccc(cc2C1)[*:1]
CC(C)CCCOCC[C@@H]1CCC[C@@H]1O CC(C)CC[*:1] O[C@H]1CCC[C@H]1CCOC[*:1]
CC(C)CCCOCC[C@@H]1CCC[C@@H]1O CC(C)[*:1] O[C@H]1CCC[C@H]1CCOCCC[*:1]
CC(C)CCCOCC[C@@H]1CCC[C@@H]1O CC(C)C[*:1] O[C@H]1CCC[C@H]1CCOCC[*:1]
CCC(CC)NC(=O)c1ccc(NC(C)=O)cc1 CCC(CC)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCC(CC)NC(=O)c1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCC(CC)NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H](O)c2ccccc2)cc1 O[C@H](C[*:1])c1ccccc1 COC(=O)c1ccc(cc1)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
COC(=O)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1C[C@@H](O)[*:1]
COC(=O)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H](O)c2ccccc2)cc1 COC(=O)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(cc2)[*:1])N1C[C@@H](O)c1ccccc1
COC(=O)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H](O)c2ccccc2)cc1 COC(=O)c1ccc(cc1)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](N1C[C@@H](O)c1ccccc1)[*:1]
COC(=O)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H](O)c2ccccc2)cc1 O[C@@H](c1ccccc1)[*:1] COC(=O)c1ccc(cc1)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1C[*:1]
CNC(=O)c1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1 CNC(=O)[*:1] O=C(NC(=S)Nc1cccc(c1)[*:1])c1cccc(Cl)c1
CNC(=O)c1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CNC(=O)c1cccc(c1)NC(=S)NC(=O)[*:1]
CCOC(=O)c1ccc(N2C(=O)[C@@H](C)S(=O)(=O)[C@H]2c2ccccc2)cc1 CCOC(=O)[*:1] C[C@@H]1C(=O)N(c2ccc(cc2)[*:1])[C@H](c2ccccc2)S1(=O)=O
CCOC(=O)c1ccc(N2C(=O)[C@@H](C)S(=O)(=O)[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)N1C(=O)[C@@H](C)S(=O)(=O)[C@@H]1[*:1]
CCCc1c(C(=O)NC2CCN(C(=O)OCC)CC2)cnn1-c1ccccc1 CCC[*:1] CCOC(=O)N1CCC(CC1)NC(=O)c1cnn(-c2ccccc2)c1[*:1]
CCCc1c(C(=O)NC2CCN(C(=O)OCC)CC2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] CCCc1c(cnn1[*:1])C(=O)NC1CCN(CC1)C(=O)OCC
CCCOc1ccc(OC(=O)Cn2c(=O)[nH]c3ccccc32)cc1 CCCO[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)Oc1ccc(cc1)[*:1]
CCCOc1ccc(OC(=O)Cn2c(=O)[nH]c3ccccc32)cc1 CCC[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)Oc1ccc(cc1)O[*:1]
Cc1sc(CNC(=O)NC[C@@H]2COCCO2)nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1sc(CNC(=O)NC[C@@H]2COCCO2)nc1[*:1]
C[C@H]1CN(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CSc1nnc(C2CC2)n1[*:1]
C[C@H]1CN(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)C[C@@H](C)O1 C1CC1[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)Cc1csc(Cc2ccccn2)n1)c1cccs1 c1ccc(C[*:1])nc1 CC(C)[C@@H](NC(=O)Cc1csc(n1)[*:1])c1cccs1
CC(C)[C@@H](NC(=O)Cc1csc(Cc2ccccn2)n1)c1cccs1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)Cc1csc(C[*:1])n1)c1cccs1
CC(C)[C@@H](NC(=O)Cc1csc(Cc2ccccn2)n1)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)Cc1csc(Cc2ccccn2)n1)[*:1]
CC(C)[C@@H](NC(=O)Cc1csc(Cc2ccccn2)n1)c1cccs1 CC(C)[*:1] O=C(Cc1csc(Cc2ccccn2)n1)N[C@@H](c1cccs1)[*:1]
O=C1CN(C(=O)CCOc2ccccc2-c2ccccc2)CCN1 c1ccc(cc1)[*:1] O=C1CN(CCN1)C(=O)CCOc1ccccc1[*:1]
c1csc(C[NH2+]C2CC2)n1 C1CC1[*:1] c1csc(C[NH2+][*:1])n1
C#CCOc1ccc(CN2CC[S@](=O)C(C)(C)C2)cc1 C#CC[*:1] CC1(C)CN(CC[S@@]1=O)Cc1ccc(cc1)O[*:1]
C#CCOc1ccc(CN2CC[S@](=O)C(C)(C)C2)cc1 C#CCO[*:1] CC1(C)CN(CC[S@@]1=O)Cc1ccc(cc1)[*:1]
Cc1cccc2sc(NC(=O)CS(=O)(=O)CCCc3ccccc3)nc12 c1ccc(cc1)C[*:1] Cc1cccc2sc(nc12)NC(=O)CS(=O)(=O)CC[*:1]
Cc1cccc2sc(NC(=O)CS(=O)(=O)CCCc3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1cccc2sc(nc12)NC(=O)CS(=O)(=O)CCC[*:1]
Cc1cccc2sc(NC(=O)CS(=O)(=O)CCCc3ccccc3)nc12 c1ccc(cc1)CC[*:1] Cc1cccc2sc(nc12)NC(=O)CS(=O)(=O)C[*:1]
COc1ccc(CC[C@H](C)NC(=O)Nc2cccnc2-n2cccn2)cc1 COc1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)Nc1cccnc1-n1cccn1
COc1ccc(CC[C@H](C)NC(=O)Nc2cccnc2-n2cccn2)cc1 c1cnn(c1)[*:1] COc1ccc(cc1)CC[C@H](C)NC(=O)Nc1cccnc1[*:1]
COc1ccc(CC[C@H](C)NC(=O)Nc2cccnc2-n2cccn2)cc1 COc1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)Nc1cccnc1-n1cccn1
Cc1cc(C)n(CC2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)n1 Cc1cc(C)n(C[*:1])n1 Clc1cccc(c1)-c1n[nH]cc1C[NH+]1CCC(CC1)[*:1]
Cc1cc(C)n(CC2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)n1 Clc1cccc(c1)[*:1] Cc1cc(C)n(CC2CC[NH+](CC2)Cc2c[nH]nc2[*:1])n1
Cc1cc(C)n(CC2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)n1 Cc1cc(C)n(n1)[*:1] Clc1cccc(c1)-c1n[nH]cc1C[NH+]1CCC(CC1)C[*:1]
O=C(Cc1cccs1)NN/C=C1\C=CC(=O)C(O)=C1 c1csc(c1)C[*:1] O=C1C=C/C(C=C1O)=C\NNC(=O)[*:1]
O=C(Cc1cccs1)NN/C=C1\C=CC(=O)C(O)=C1 c1csc(c1)[*:1] O=C(C[*:1])NN/C=C1\C=CC(=O)C(O)=C1
COc1cccc([C@@H](C(=O)[O-])N2CCOCC2)c1OC O=C([O-])[*:1] COc1cccc(c1OC)[C@@H](N1CCOCC1)[*:1]
COc1cccc([C@@H](C(=O)[O-])N2CCOCC2)c1OC C1CN(CCO1)[*:1] COc1cccc(c1OC)[C@@H](C(=O)[O-])[*:1]
O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)Nc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)nc(c2cc(Cl)ccc21)[*:1])Nc1cccc(F)c1
O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)N[*:1]
CCOCc1cccc(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)c1 CCO[*:1] C[C@@H](C(=O)Nc1cccc(c1)C[*:1])n1nnc(n1)-c1ccccc1
CCOCc1cccc(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)c1 CCOC[*:1] C[C@@H](C(=O)Nc1cccc(c1)[*:1])n1nnc(n1)-c1ccccc1
CCOCc1cccc(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] CCOCc1cccc(c1)NC(=O)[C@H](C)n1nnc(n1)[*:1]
C[C@@H](CC(=O)N(C)C)[NH2+][C@H](C)CCC1CCCC1 CN(C)C(=O)[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)CCC1CCCC1
C[C@@H](CC(=O)N(C)C)[NH2+][C@H](C)CCC1CCCC1 C1CCC(C1)C[*:1] C[C@@H](CC(=O)N(C)C)[NH2+][C@H](C)C[*:1]
C[C@@H](CC(=O)N(C)C)[NH2+][C@H](C)CCC1CCCC1 C1CCC(C1)[*:1] C[C@@H](CC(=O)N(C)C)[NH2+][C@H](C)CC[*:1]
C[C@@H](CC(=O)N(C)C)[NH2+][C@H](C)CCC1CCCC1 CN(C)C(=O)C[*:1] C[C@@H]([NH2+][C@H](C)CCC1CCCC1)[*:1]
CC[C@@H](c1ccccc1)S(=O)(=O)Cc1ccc(Cl)cc1 c1ccc(cc1)[*:1] CC[C@@H](S(=O)(=O)Cc1ccc(Cl)cc1)[*:1]
Cc1ccc(NC(=O)NCCC(C)C)cc1S(C)(=O)=O CC(C)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)NCC[*:1]
Cc1ccc(NC(=O)NCCC(C)C)cc1S(C)(=O)=O CC(C)CC[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)N[*:1]
Cc1ccc(NC(=O)NCCC(C)C)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NCCC(C)C
Cc1ccc(NC(=O)NCCC(C)C)cc1S(C)(=O)=O CC(C)C[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)NC[*:1]
Cc1ccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)o1 c1ccn(c1)[*:1] Cc1ccc(o1)C(=O)NNC(=O)c1ccccc1[*:1]
Cc1ccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)o1 Cc1ccc(o1)[*:1] O=C(NNC(=O)[*:1])c1ccccc1-n1cccc1
CC[C@H](C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1)n1cccn1 c1cnn(c1)[*:1] CC[C@H](C(=O)N1CCN(CC1)S(=O)(=O)N1CCCC1)[*:1]
N#CCNC(=O)Sc1cccc2cccnc12 N#CC[*:1] O=C(N[*:1])Sc1cccc2cccnc12
Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@@H](C#N)C(C)(C)C)c1 Cc1ccc(C)c(c1)[*:1] Cc1nnc(SCC(=O)N[C@@H](C#N)C(C)(C)C)n1[*:1]
Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@@H](C#N)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(C)c(c1)-n1c(C)nnc1SCC(=O)N[C@@H](C#N)[*:1]
Cc1cccc(C2=CCN(C(=O)/C=C3/CC(=O)N(C)N3)CC2)c1 Cc1cccc(c1)[*:1] CN1N/C(=C\C(=O)N2CC=C(CC2)[*:1])CC1=O
O=C(NCc1ccc(Cl)cc1)c1csc(Nc2ccc(F)c(F)c2)n1 Clc1ccc(cc1)C[*:1] O=C(N[*:1])c1csc(n1)Nc1ccc(F)c(F)c1
O=C(NCc1ccc(Cl)cc1)c1csc(Nc2ccc(F)c(F)c2)n1 Fc1ccc(cc1F)[*:1] O=C(NCc1ccc(Cl)cc1)c1csc(n1)N[*:1]
O=C(NCc1ccc(Cl)cc1)c1csc(Nc2ccc(F)c(F)c2)n1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1csc(n1)Nc1ccc(F)c(F)c1
COc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c2ccccc2)cc1 c1cc2CCCc2cc1[*:1] COc1ccc(cc1)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1])c1ccccc1
COc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[C@@H](c2ccccc2)[*:1])C1=O)c1ccc2CCCc2c1
COc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc2CCCc2c1)[*:1]
Cc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C)no2)c1 Cc1cc(on1)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@H]1[*:1]
Cc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C)no2)c1 Cc1cccc(c1)[*:1] Cc1cc(on1)[C@H]1CCCN1C(=O)N[*:1]
CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1nc(no1)[*:1]
CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1nc(C2CC2)no1 Brc1ccccc1[*:1] CC(C)[C@H]([NH2+][C@@H](C)[*:1])c1nc(no1)C1CC1
CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1nc(C2CC2)no1 CC(C)[*:1] C[C@H]([NH2+][C@H](c1nc(no1)C1CC1)[*:1])c1ccccc1Br
Cc1cccc([C@H](C)Sc2nnc(N(C)C)s2)c1 CN(C)[*:1] Cc1cccc(c1)[C@H](C)Sc1nnc(s1)[*:1]
O=[N+]([O-])c1ccc(N/N=C\c2cccc(O)c2)cc1 O=[N+]([O-])[*:1] Oc1cccc(/C=N\Nc2ccc(cc2)[*:1])c1
CN(C)c1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 FC(F)(F)[*:1] CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
CN(C)c1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 CN(C)c1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)[*:1]
CN(C)c1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 CN(C)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
COCCn1cc(NC(=O)NC2(c3ccc(F)cc3F)CCCC2)cn1 COC[*:1] O=C(Nc1cnn(c1)C[*:1])NC1(CCCC1)c1ccc(F)cc1F
COCCn1cc(NC(=O)NC2(c3ccc(F)cc3F)CCCC2)cn1 COCC[*:1] O=C(Nc1cnn(c1)[*:1])NC1(CCCC1)c1ccc(F)cc1F
COCCn1cc(NC(=O)NC2(c3ccc(F)cc3F)CCCC2)cn1 Fc1ccc(c(F)c1)[*:1] COCCn1cc(cn1)NC(=O)NC1(CCCC1)[*:1]
Cc1ccc(CSCC(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)cc1 Cc1ccc(cc1)[*:1] O=C(CSC[*:1])N[C@H]1C=C[C@H](C1)C(=O)[O-]
Cc1ccc(CSCC(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)CSCC(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CCc1nc(CCN/C(NC(C)C)=[NH+]\C)cs1 CC(C)[*:1] CCc1nc(cs1)CCN/C(N[*:1])=[NH+]\C
CN[C@@H](Cc1ccc[nH+]c1N)C1([NH+](C)C)CCCCCC1 Nc1[nH+]cccc1[*:1] CN[C@@H](C[*:1])C1(CCCCCC1)[NH+](C)C
CC(=O)c1cccc(-n2c3c(c(SCc4ccccc4F)nc2=O)CCC3)c1 Fc1ccccc1C[*:1] CC(=O)c1cccc(c1)-n1c2CCCc2c(nc1=O)S[*:1]
CC(=O)c1cccc(-n2c3c(c(SCc4ccccc4F)nc2=O)CCC3)c1 Fc1ccccc1CS[*:1] CC(=O)c1cccc(c1)-n1c2CCCc2c(nc1=O)[*:1]
CC(=O)c1cccc(-n2c3c(c(SCc4ccccc4F)nc2=O)CCC3)c1 CC(=O)[*:1] O=c1nc(SCc2ccccc2F)c2CCCc2n1-c1cccc(c1)[*:1]
CC(=O)c1cccc(-n2c3c(c(SCc4ccccc4F)nc2=O)CCC3)c1 Fc1ccccc1[*:1] CC(=O)c1cccc(c1)-n1c2CCCc2c(nc1=O)SC[*:1]
CC(=O)c1cccc(-n2c3c(c(SCc4ccccc4F)nc2=O)CCC3)c1 CC(=O)c1cccc(c1)[*:1] O=c1nc(SCc2ccccc2F)c2CCCc2n1[*:1]
CC(C)Cc1nnc(NC(=O)Nc2cnn(C)c2)s1 CC(C)C[*:1] Cn1cc(cn1)NC(=O)Nc1nnc(s1)[*:1]
CC(C)Cc1nnc(NC(=O)Nc2cnn(C)c2)s1 CC(C)[*:1] Cn1cc(cn1)NC(=O)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)Nc2cnn(C)c2)s1 Cn1cc(cn1)[*:1] CC(C)Cc1nnc(NC(=O)N[*:1])s1
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(/N=C\c3cccc([N+](=O)[O-])c3)C(=N)S2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CCOc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(N=C[*:1])C(=N)S1
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(/N=C\c3cccc([N+](=O)[O-])c3)C(=N)S2)cc1 CCO[*:1] N=C1S[C@@H](CC(=O)N1/N=C\c1cccc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(/N=C\c3cccc([N+](=O)[O-])c3)C(=N)S2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(/N=C\c2cccc(c2)[*:1])C(=N)S1
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(/N=C\c3cccc([N+](=O)[O-])c3)C(=N)S2)cc1 CCOc1ccc(cc1)[*:1] N=C1S[C@@H](CC(=O)N1/N=C\c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
CCCS(=O)(=O)NCCN1CCN(C(=O)c2ccsc2)CC1 CCCS(=O)(=O)N[*:1] O=C(c1ccsc1)N1CCN(CC1)CC[*:1]
CCCS(=O)(=O)NCCN1CCN(C(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] CCCS(=O)(=O)NCCN1CCN(CC1)C(=O)[*:1]
CCCS(=O)(=O)NCCN1CCN(C(=O)c2ccsc2)CC1 CCC[*:1] O=C(c1ccsc1)N1CCN(CCNS(=O)(=O)[*:1])CC1
CS(=O)(=O)c1ccc(-n2nnc(C(=O)[O-])c2-c2ccc(Cl)cc2)cc1 CS(=O)(=O)[*:1] O=C([O-])c1nnn(-c2ccc(cc2)[*:1])c1-c1ccc(Cl)cc1
CS(=O)(=O)c1ccc(-n2nnc(C(=O)[O-])c2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)-n1nnc(C(=O)[O-])c1[*:1]
CS(=O)(=O)c1ccc(-n2nnc(C(=O)[O-])c2-c2ccc(Cl)cc2)cc1 O=C([O-])[*:1] CS(=O)(=O)c1ccc(cc1)-n1nnc(c1-c1ccc(Cl)cc1)[*:1]
CO[C@@H]1CC[C@H]2OCCN(Cc3sc(N(C)C)nc3C)[C@H]2C1 CN(C)[*:1] CO[C@@H]1CC[C@H]2OCCN(Cc3sc(nc3C)[*:1])[C@H]2C1
Cc1nc(C)c(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)s1 Cc1nc(C)c(s1)[*:1] O=C(C[*:1])N[C@H]1CCCc2c1cnn2-c1ccccc1F
Cc1nc(C)c(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)s1 Cc1nc(C)c(C[*:1])s1 O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)[*:1]
Cc1nc(C)c(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)s1 Fc1ccccc1[*:1] Cc1nc(C)c(CC(=O)N[C@H]2CCCc3c2cnn3[*:1])s1
C[C@H]1CCN(C(=O)Nc2ccccc2-c2ccncc2)[C@@H](C)C1 c1cc(ccn1)[*:1] C[C@H]1CCN(C(=O)Nc2ccccc2[*:1])[C@@H](C)C1
COc1ccc(CC(=O)N2NC(=O)SC=C2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N1NC(=O)SC=C1[*:1]
COc1ccc(CC(=O)N2NC(=O)SC=C2c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C1NN(C(=O)C[*:1])C(=CS1)c1ccccc1
C[C@@H](CCNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] C[C@@H](C(=O)NCC[*:1])n1nnc(n1)-c1ccccc1
C[C@@H](CCNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CCNC(=O)[C@H](C)n1nnc(n1)[*:1])c1ccccc1
C[C@@H](CCNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NCC[C@H](C)[*:1])n1nnc(n1)-c1ccccc1
CC(C)(C)c1n[nH]c(C(=O)NCCSc2ccccc2)n1 CC(C)(C)[*:1] O=C(NCCSc1ccccc1)c1nc(n[nH]1)[*:1]
CC(C)(C)c1n[nH]c(C(=O)NCCSc2ccccc2)n1 c1ccc(cc1)S[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)NCC[*:1]
CC(C)(C)c1n[nH]c(C(=O)NCCSc2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)NCCS[*:1]
C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O c1ccc2c(cccc2c1)[*:1] C[C@]1(NC(=O)N(Cc2ccc(cc2)C(=O)Nc2ccccc2)C1=O)[*:1]
C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O O=C(Nc1ccccc1)[*:1] C[C@]1(NC(=O)N(Cc2ccc(cc2)[*:1])C1=O)c1cccc2ccccc12
C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(Cc2ccc(cc2)C(=O)N[*:1])C1=O)c1cccc2ccccc12
C[C@H](/C([O-])=N/S(=O)(=O)c1cnn(C)c1)c1cccc(F)c1 Cn1cc(cn1)[*:1] C[C@H](/C([O-])=N/S(=O)(=O)[*:1])c1cccc(F)c1
C[C@H](/C([O-])=N/S(=O)(=O)c1cnn(C)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](/C([O-])=N/S(=O)(=O)c1cnn(C)c1)[*:1]
O=C1C[C@H](C(=O)Nc2ccccc2Cl)[C@H]2C(=O)N=C(SCCc3ccccc3)N=C2N1 O=C(Nc1ccccc1Cl)[*:1] O=C1C[C@H]([C@H]2C(=O)N=C(N=C2N1)SCCc1ccccc1)[*:1]
O=C1C[C@H](C(=O)Nc2ccccc2Cl)[C@H]2C(=O)N=C(SCCc3ccccc3)N=C2N1 c1ccc(cc1)C[*:1] O=C1C[C@H](C(=O)Nc2ccccc2Cl)[C@H]2C(=O)N=C(N=C2N1)SC[*:1]
O=C1C[C@H](C(=O)Nc2ccccc2Cl)[C@H]2C(=O)N=C(SCCc3ccccc3)N=C2N1 c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)Nc2ccccc2Cl)[C@H]2C(=O)N=C(N=C2N1)SCC[*:1]
O=C1C[C@H](C(=O)Nc2ccccc2Cl)[C@H]2C(=O)N=C(SCCc3ccccc3)N=C2N1 Clc1ccccc1[*:1] O=C1C[C@H](C(=O)N[*:1])[C@H]2C(=O)N=C(N=C2N1)SCCc1ccccc1
O=C1C[C@H](C(=O)Nc2ccccc2Cl)[C@H]2C(=O)N=C(SCCc3ccccc3)N=C2N1 c1ccc(cc1)CC[*:1] O=C1C[C@H](C(=O)Nc2ccccc2Cl)[C@H]2C(=O)N=C(N=C2N1)S[*:1]
Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc4c(c3)OCCO4)n2)c1 Cc1cccc(c1)[*:1] CN(c1ccc2OCCOc2c1)S(=O)(=O)c1ccsc1-c1nc(no1)[*:1]
Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc4c(c3)OCCO4)n2)c1 c1cc2OCCOc2cc1[*:1] Cc1cccc(c1)-c1noc(n1)-c1sccc1S(=O)(=O)N(C)[*:1]
C[C@@H](CN(C)C(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CN(C[*:1])C(=O)NNC(=O)c1ccc(C#N)cc1
C[C@@H](CN(C)C(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1 N#Cc1ccc(cc1)[*:1] C[C@@H](CN(C)C(=O)NNC(=O)[*:1])c1ccccc1
C[C@@H](CN(C)C(=O)NNC(=O)c1ccc(C#N)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CN(C)C(=O)NNC(=O)c1ccc(C#N)cc1)[*:1]
COC(=O)[C@H](Cn1cc(Cl)c(=O)[nH]c1=O)c1ccccc1 COC(=O)[*:1] O=c1[nH]c(=O)n(cc1Cl)C[C@H](c1ccccc1)[*:1]
COC(=O)[C@H](Cn1cc(Cl)c(=O)[nH]c1=O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](Cn1cc(Cl)c(=O)[nH]c1=O)[*:1]
C[C@](O)([C@@H]1CCCC[NH2+]1)C(F)(F)F FC(F)(F)[*:1] C[C@](O)([C@@H]1CCCC[NH2+]1)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)[C@@H](C)n1c(=O)oc2ccccc21 C[C@@H](O)[*:1] C[C@@H](CNC(=O)[C@@H](C)n1c(=O)oc2ccccc21)C[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)[C@@H](C)n1c(=O)oc2ccccc21 C[C@@H](O)C[*:1] C[C@H](C(=O)NC[C@H](C)[*:1])n1c(=O)oc2ccccc21
Cn1ncc2c1CCC[C@H]2[NH2+]CC(C)(C)N1CCS(=O)CC1 O=S1CCN(CC1)[*:1] Cn1ncc2c1CCC[C@H]2[NH2+]CC(C)(C)[*:1]
Cc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccccc2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccc1)SC[*:1]
Cc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccccc2)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccccc1)S[*:1]
Cc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)[O-]
Cc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])CSc1nnc(-c2ccccc2)n1[*:1]
Cc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccccc2)cc1 O=C([O-])CS[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])-c1ccccc1
CC(C)(C)C(=O)NCCC(=O)NCC1(c2ccc3c(c2)OCO3)CC1 CC(C)(C)C(=O)N[*:1] O=C(CC[*:1])NCC1(CC1)c1ccc2OCOc2c1
CC(C)(C)C(=O)NCCC(=O)NCC1(c2ccc3c(c2)OCO3)CC1 CC(C)(C)C(=O)NC[*:1] O=C(C[*:1])NCC1(CC1)c1ccc2OCOc2c1
CC(C)(C)C(=O)NCCC(=O)NCC1(c2ccc3c(c2)OCO3)CC1 CC(C)(C)[*:1] O=C(CCNC(=O)[*:1])NCC1(CC1)c1ccc2OCOc2c1
COc1ccc(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc2oc(=O)n(Cc3ccccc3)c2c1
COc1ccc(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)NC(=O)c1ccc2oc(=O)n(c2c1)[*:1]
COc1ccc(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)c1ccc2oc(=O)n(C[*:1])c2c1
C[C@@H](OC[C@H](O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(Cl)cc1 C1CC1[*:1] C[C@@H](OC[C@H](O)CN1C(=O)N[C@](C)(C1=O)[*:1])c1ccc(Cl)cc1
C[C@@H](OC[C@H](O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](OC[C@H](O)CN1C(=O)N[C@@](C)(C1=O)C1CC1)[*:1]
CSC[C@H](C)NC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CSC[C@H](C)NC(=O)N1CCN(CC1)[C@H](C)[*:1]
CSC[C@H](C)NC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 CSC[C@H](C)[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)N[*:1]
CSC[C@H](C)NC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 CSC[*:1] C[C@H](NC(=O)N1CCN(CC1)[C@H](C)C(=O)N1CCCC1)[*:1]
COc1ccc(C[C@H](C)CNC(=O)[C@@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C[C@H](C)CNC(=O)[C@@H](O)[*:1]
Cc1ccc(-c2n[nH]c(SCc3noc(Cc4ccccc4)n3)n2)cc1 Cc1ccc(cc1)[*:1] c1ccc(cc1)Cc1nc(CSc2nc(n[nH]2)[*:1])no1
Cc1ccc(-c2n[nH]c(SCc3noc(Cc4ccccc4)n3)n2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)SCc1noc(n1)[*:1]
Cc1ccc(-c2n[nH]c(SCc3noc(Cc4ccccc4)n3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)SCc1noc(C[*:1])n1
CCSc1ccccc1C(=O)N1c2ccccc2C[C@H]1C(N)=O NC(=O)[*:1] CCSc1ccccc1C(=O)N1c2ccccc2C[C@@H]1[*:1]
CCSc1ccccc1C(=O)N1c2ccccc2C[C@H]1C(N)=O CCS[*:1] NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1[*:1]
COc1cccc(-c2noc(-c3cccnc3)n2)c1 c1cncc(c1)[*:1] COc1cccc(c1)-c1noc(n1)[*:1]
CN(CCc1ccccn1)C(=O)C(=O)Nc1ccccc1-c1ccccc1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)C(=O)Nc1ccccc1-c1ccccc1
CN(CCc1ccccn1)C(=O)C(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] CN(CCc1ccccn1)C(=O)C(=O)Nc1ccccc1[*:1]
CN(CCc1ccccn1)C(=O)C(=O)Nc1ccccc1-c1ccccc1 c1ccc(CC[*:1])nc1 CN(C(=O)C(=O)Nc1ccccc1-c1ccccc1)[*:1]
CN(CCc1ccccn1)C(=O)C(=O)Nc1ccccc1-c1ccccc1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)C(=O)Nc1ccccc1-c1ccccc1
CC(C)(C)N(Cc1[nH]nc([O-])[nH+]1)Cc1ccccc1Br CC(C)(C)[*:1] [O-]c1n[nH]c(CN(Cc2ccccc2Br)[*:1])[nH+]1
C[C@H](NC(=O)N(C)[C@H](C)c1ccccn1)c1cccc(-n2ccnc2)c1 C[C@H](c1ccccn1)[*:1] C[C@H](NC(=O)N(C)[*:1])c1cccc(c1)-n1ccnc1
C[C@H](NC(=O)N(C)[C@H](C)c1ccccn1)c1cccc(-n2ccnc2)c1 c1ccc(nc1)[*:1] C[C@H](NC(=O)N(C)[C@H](C)[*:1])c1cccc(c1)-n1ccnc1
C[C@H](NC(=O)N(C)[C@H](C)c1ccccn1)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] C[C@H](NC(=O)N(C)[C@H](C)c1ccccn1)c1cccc(c1)[*:1]
CC[C@@H](COC)NC(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] CC[C@@H](COC)NC(=O)N1CCOC[C@H]1[*:1]
CC[C@@H](COC)NC(=O)N1CCOC[C@@H]1C1CC1 COC[*:1] CC[C@@H](NC(=O)N1CCOC[C@@H]1C1CC1)[*:1]
CC[C@@H](COC)NC(=O)N1CCOC[C@@H]1C1CC1 CC[C@@H](COC)[*:1] O=C(N[*:1])N1CCOC[C@@H]1C1CC1
C[C@H]1C[C@@H]1C(=O)N1CCN(Cc2cc(-c3ccccc3)[nH]n2)CC1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)Cc1cc([nH]n1)[*:1]
Cc1cccc2[nH+]c(CNC(=O)C[C@H](C)NC(=O)C3CCCC3)cn12 O=C(N[*:1])C1CCCC1 Cc1cccc2[nH+]c(cn12)CNC(=O)C[C@H](C)[*:1]
Cc1cccc2[nH+]c(CNC(=O)C[C@H](C)NC(=O)C3CCCC3)cn12 C1CCC(C1)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)C[C@H](C)NC(=O)[*:1]
CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CC1CCCCC1 C1CCC(CC1)[*:1] CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C[*:1]
CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CC1CCCCC1 C1CCC(CC1)C[*:1] CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[*:1]
CC(C)Oc1cccc(CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 CC(C)O[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)NCc1cccc(c1)[*:1]
CC(C)Oc1cccc(CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 CC(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)NC(=O)NCc1cccc(c1)O[*:1]
CC(C)Oc1cccc(CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] CC(C)Oc1cccc(c1)CNC(=O)N[C@H]1CCC[C@H](C1)[*:1]
CCN(CC)C(=O)C1CC[NH+](Cc2ccc(F)c(OC)c2)CC1 CCN(CC)C(=O)[*:1] COc1cc(ccc1F)C[NH+]1CCC(CC1)[*:1]
CCNc1c(NS(=O)(=O)c2ccc3c(c2)CCC3)c(=O)oc2ccccc12 CCN[*:1] O=c1oc2ccccc2c(c1NS(=O)(=O)c1ccc2CCCc2c1)[*:1]
CCNc1c(NS(=O)(=O)c2ccc3c(c2)CCC3)c(=O)oc2ccccc12 c1cc2CCCc2cc1[*:1] CCNc1c(NS(=O)(=O)[*:1])c(=O)oc2ccccc12
CSc1ncc(C(=O)N2CCC(COc3ccccn3)CC2)cn1 c1ccc(nc1)OC[*:1] CSc1ncc(cn1)C(=O)N1CCC(CC1)[*:1]
CSc1ncc(C(=O)N2CCC(COc3ccccn3)CC2)cn1 c1ccc(nc1)O[*:1] CSc1ncc(cn1)C(=O)N1CCC(CC1)C[*:1]
CSc1ncc(C(=O)N2CCC(COc3ccccn3)CC2)cn1 CSc1ncc(cn1)[*:1] O=C(N1CCC(CC1)COc1ccccn1)[*:1]
CSc1ncc(C(=O)N2CCC(COc3ccccn3)CC2)cn1 c1ccc(nc1)[*:1] CSc1ncc(cn1)C(=O)N1CCC(CC1)CO[*:1]
C[NH+](C)C1(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)CCOCC1 FC(F)(F)C[*:1] C[NH+](C)C1(CCOCC1)C[NH2+][C@H]1CCN(C1)[*:1]
C[NH+](C)C1(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)CCOCC1 FC(F)(F)[*:1] C[NH+](C)C1(CCOCC1)C[NH2+][C@H]1CCN(C1)C[*:1]
Cc1nnc(CNC(=O)Nc2ccc(Br)cc2C(C)C)n1C CC(C)[*:1] Cc1nnc(CNC(=O)Nc2ccc(Br)cc2[*:1])n1C
Cc1nnc(CNC(=O)Nc2ccc(Br)cc2C(C)C)n1C Cc1nnc(n1C)[*:1] CC(C)c1cc(Br)ccc1NC(=O)NC[*:1]
Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] Cc1cccc(c1NC(=O)[C@@H]1CC(=O)N(C1)C[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 CC(C)[*:1] Cc1cccc(c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 Cc1cccc(c1NC(=O)[C@@H]1CC(=O)N(C1)[*:1])C(C)C
C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC(=O)N(C1)[*:1]
O=C([C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccccc1)N1CCOCC1 c1cncc(c1)[*:1] O=C([C@H](Sc1nnc(n1Cc1ccccc1)[*:1])c1ccccc1)N1CCOCC1
O=C([C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccccc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1ccc(cc1)Cn1c(nnc1-c1cccnc1)S[C@H](c1ccccc1)[*:1]
O=C([C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@H](Sc1nnc(-c2cccnc2)n1C[*:1])c1ccccc1)N1CCOCC1
O=C([C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccccc1)N1CCOCC1 c1ccc(cc1)C[*:1] O=C([C@H](Sc1nnc(-c2cccnc2)n1[*:1])c1ccccc1)N1CCOCC1
O=C([C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)[*:1])N1CCOCC1
CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncnc(-n3cccn3)c2N)C1 c1cnn(c1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)Nc1ncnc(c1N)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncnc(-n3cccn3)c2N)C1 CC(C)(C)[*:1] Nc1c(ncnc1-n1cccn1)N[C@H]1CCCN(C1)C(=O)O[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccccc1CC(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccccc1C[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccccc1CC(=O)N(C)C CN(C)C(=O)C[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccccc1[*:1]
COCC[NH+]1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 COCC[*:1] Clc1cccc(c1)-c1cncc(n1)C1CC[NH+](CC1)[*:1]
COCC[NH+]1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 COC[*:1] Clc1cccc(c1)-c1cncc(n1)C1CC[NH+](CC1)C[*:1]
COCC[NH+]1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 Clc1cccc(c1)[*:1] COCC[NH+]1CCC(CC1)c1cncc(n1)[*:1]
COC(C)(C)CNC(=O)NCCc1csc(C(C)C)n1 CC(C)[*:1] COC(C)(C)CNC(=O)NCCc1csc(n1)[*:1]
COC(C)(C)CNC(=O)NCCc1csc(C(C)C)n1 COC(C)(C)[*:1] CC(C)c1nc(cs1)CCNC(=O)NC[*:1]
COC(C)(C)CNC(=O)NCCc1csc(C(C)C)n1 COC(C)(C)C[*:1] CC(C)c1nc(cs1)CCNC(=O)N[*:1]
CCN(Cc1cn2c(C)cccc2[nH+]1)C[C@H](O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(Cc1cn2c(C)cccc2[nH+]1)C[C@H](O)[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 C[C@H](O)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)NCC(C)(C)C[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 C[C@H](O)C[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)NCC(C)(C)[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)Cn2c(C)nc3ccccc32)c1 Cc1cnn(c1)[*:1] Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1C[*:1]
Cc1cnn(C[C@H]2CCCN2C(=O)Cn2c(C)nc3ccccc32)c1 Cc1cnn(c1)C[*:1] Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1[*:1]
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccnc(C)n1)CC2 Cc1nccc(n1)[*:1] COc1cc2CCN(C(=O)[*:1])[C@H](c3cccs3)c2cc1OC
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccnc(C)n1)CC2 c1csc(c1)[*:1] COc1cc2CCN(C(=O)c3ccnc(C)n3)[C@H](c2cc1OC)[*:1]
Cc1csc(CN(C)C(=O)N[C@H](c2nccs2)C2CC2)n1 c1csc(n1)[*:1] Cc1csc(CN(C)C(=O)N[C@H](C2CC2)[*:1])n1
Cc1csc(CN(C)C(=O)N[C@H](c2nccs2)C2CC2)n1 C1CC1[*:1] Cc1csc(CN(C)C(=O)N[C@H](c2nccs2)[*:1])n1
Cc1csc(CN(C)C(=O)N[C@H](c2nccs2)C2CC2)n1 Cc1csc(C[*:1])n1 CN(C(=O)N[C@H](c1nccs1)C1CC1)[*:1]
Cc1csc(CN(C)C(=O)N[C@H](c2nccs2)C2CC2)n1 Cc1csc(n1)[*:1] CN(C[*:1])C(=O)N[C@H](c1nccs1)C1CC1
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccccc12 CCOC(=O)[*:1] N#CC1=C(N)OC(CCl)=C([C@]12C(=O)Nc1ccccc12)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCCCC(C)C)C1 CC(C)CC[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)NC[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCCCC(C)C)C1 CC(C)C[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)NCC[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCCCC(C)C)C1 CC(C)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)NCCC[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCCCC(C)C)C1 CC(C)CCC[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)N[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCCCC(C)C)C1 COC(=O)C(C)(C)[*:1] CC(C)CCCNC(=O)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCCCC(C)C)C1 COC(=O)[*:1] CC(C)CCCNC(=O)N1CCC[C@@H](C1)C(C)(C)[*:1]
O=Cc1cccc(-c2cc(F)ccc2C(=O)[O-])c1 O=C([O-])[*:1] O=Cc1cccc(c1)-c1cc(F)ccc1[*:1]
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C(F)(F)F)C3)c2)c1 Cc1cccc(c1)[*:1] O=C(c1cccc(c1)S(=O)(=O)N[*:1])N1CCC[C@@H](C1)C(F)(F)F
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C(F)(F)F)C3)c2)c1 FC(F)(F)[*:1] Cc1cccc(c1)NS(=O)(=O)c1cccc(c1)C(=O)N1CCC[C@H](C1)[*:1]
Nc1nc(CC(=O)NC2(CC(=O)[O-])CCC2)cs1 O=C([O-])C[*:1] Nc1nc(cs1)CC(=O)NC1(CCC1)[*:1]
Nc1nc(CC(=O)NC2(CC(=O)[O-])CCC2)cs1 O=C([O-])[*:1] Nc1nc(cs1)CC(=O)NC1(CCC1)C[*:1]
Nc1nc(CC(=O)NC2(CC(=O)[O-])CCC2)cs1 Nc1nc(cs1)[*:1] O=C([O-])CC1(CCC1)NC(=O)C[*:1]
C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)N(C)CCC#N)C1 N#CCC[*:1] C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)N(C)[*:1])C1
C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)N(C)CCC#N)C1 N#CC[*:1] C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)N(C)C[*:1])C1
CC1(C)COC(c2cc(C(C)(C)C)cs2)=N1 CC(C)(C)[*:1] CC1(C)COC(=N1)c1cc(cs1)[*:1]
CCNc1nccc(-c2ccc(SC(F)F)cc2)n1 FC(F)[*:1] CCNc1nccc(n1)-c1ccc(cc1)S[*:1]
CCNc1nccc(-c2ccc(SC(F)F)cc2)n1 CCN[*:1] FC(F)Sc1ccc(cc1)-c1ccnc(n1)[*:1]
CCNc1nccc(-c2ccc(SC(F)F)cc2)n1 FC(F)S[*:1] CCNc1nccc(n1)-c1ccc(cc1)[*:1]
CCN(C)S(=O)(=O)N(Cc1ccc(OC)cc1)C1CC1 C1CC1[*:1] CCN(C)S(=O)(=O)N(Cc1ccc(cc1)OC)[*:1]
C=C(Cl)COC(=O)c1cccc(Nc2ncccn2)c1 C=C(Cl)C[*:1] O=C(O[*:1])c1cccc(c1)Nc1ncccn1
C=C(Cl)COC(=O)c1cccc(Nc2ncccn2)c1 c1cnc(nc1)[*:1] C=C(Cl)COC(=O)c1cccc(c1)N[*:1]
C=C(Cl)COC(=O)c1cccc(Nc2ncccn2)c1 C=C(Cl)[*:1] O=C(OC[*:1])c1cccc(c1)Nc1ncccn1
COc1ccc(Cl)cc1Nc1c(C(=O)N2CCSCC2)cnc2ccccc12 O=C(N1CCSCC1)[*:1] COc1ccc(Cl)cc1Nc1c(cnc2ccccc12)[*:1]
COc1ccc(Cl)cc1Nc1c(C(=O)N2CCSCC2)cnc2ccccc12 COc1ccc(Cl)cc1[*:1] O=C(c1cnc2ccccc2c1N[*:1])N1CCSCC1
Cc1csc(-c2ccc(C(=O)Nc3nonc3C)cc2)n1 Cc1nonc1[*:1] Cc1csc(n1)-c1ccc(cc1)C(=O)N[*:1]
Cc1csc(-c2ccc(C(=O)Nc3nonc3C)cc2)n1 Cc1csc(n1)[*:1] Cc1nonc1NC(=O)c1ccc(cc1)[*:1]
CCC1=C(C(=O)OC)[C@@H](c2cccnc2)C(C#N)=C(N)O1 COC(=O)[*:1] CCC1OC(N)=C(C#N)[C@@H](C=1[*:1])c1cccnc1
CCC1=C(C(=O)OC)[C@@H](c2cccnc2)C(C#N)=C(N)O1 c1cncc(c1)[*:1] CCC1OC(N)=C(C#N)[C@H](C=1C(=O)OC)[*:1]
Cc1n[nH]c2cc(NC(=O)CCc3nc(-c4ccsc4)no3)ccc12 c1cc(cs1)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)CCc1nc(no1)[*:1]
O=C([C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C([C@@H]1CCCN(C1)c1ccc(nn1)-c1ccco1)N1CCN(CC1)[*:1]
O=C([C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C([C@@H]1CCCN(C1)c1ccc(nn1)-c1ccco1)N1CCN(CC1)c1cccc(c1)[*:1]
O=C([C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 c1coc(c1)-c1ccc(nn1)[*:1] O=C([C@@H]1CCCN(C1)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C([C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 c1coc(c1)[*:1] O=C([C@@H]1CCCN(C1)c1ccc(nn1)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
CN(C)C(=O)c1cc(N(CC(=O)[O-])CC(F)(F)F)ccn1 FC(F)(F)[*:1] CN(C)C(=O)c1cc(ccn1)N(CC(=O)[O-])C[*:1]
CN(C)C(=O)c1cc(N(CC(=O)[O-])CC(F)(F)F)ccn1 FC(F)(F)C[*:1] CN(C)C(=O)c1cc(ccn1)N(CC(=O)[O-])[*:1]
CN(C)C(=O)c1cc(N(CC(=O)[O-])CC(F)(F)F)ccn1 CN(C)C(=O)[*:1] O=C([O-])CN(CC(F)(F)F)c1ccnc(c1)[*:1]
CN(C)C(=O)c1cc(N(CC(=O)[O-])CC(F)(F)F)ccn1 O=C([O-])[*:1] CN(C)C(=O)c1cc(ccn1)N(CC(F)(F)F)C[*:1]
CN(C)C(=O)c1cc(N(CC(=O)[O-])CC(F)(F)F)ccn1 O=C([O-])C[*:1] CN(C)C(=O)c1cc(ccn1)N(CC(F)(F)F)[*:1]
O=C(NCCc1nc2ccccc2c(=O)[nH]1)C1(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(NCCc1nc2ccccc2c(=O)[nH]1)C1(CC1)[*:1]
Cc1nn(C)c2[nH]nc(NC(=O)Cc3cc(-c4ccccc4)on3)c12 c1ccc(cc1)[*:1] Cc1nn(C)c2[nH]nc(NC(=O)Cc3cc(on3)[*:1])c12
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccccc1Cl Clc1ccccc1[*:1] COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)[*:1]
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccccc1Cl O=C(O[*:1])c1ccccc1Cl COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1[*:1]
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccccc1Cl Oc1ccc(cc1)[*:1] COc1cc(/C=N/NC(=O)[*:1])ccc1OC(=O)c1ccccc1Cl
CC[C@H](O)C[C@@H](Cc1ccccc1OC)C(=O)[O-] O=C([O-])[*:1] CC[C@H](O)C[C@@H](Cc1ccccc1OC)[*:1]
CC[C@H](O)C[C@@H](Cc1ccccc1OC)C(=O)[O-] CC[C@H](O)[*:1] COc1ccccc1C[C@H](C[*:1])C(=O)[O-]
CC[C@H](O)C[C@@H](Cc1ccccc1OC)C(=O)[O-] CC[C@H](O)C[*:1] COc1ccccc1C[C@@H](C(=O)[O-])[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1 C1CCC(C1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)[C@@H]1CCCN1C(=O)[*:1]
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]CCCO OCC[*:1] Cc1nn(-c2cccc(c2)C(F)(F)F)c(Cl)c1C[NH2+]C[*:1]
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]CCCO FC(F)(F)[*:1] Cc1nn(-c2cccc(c2)[*:1])c(Cl)c1C[NH2+]CCCO
COc1ccc(OCc2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1 COc1ccc(cc1)O[*:1] CN(C)c1ccc(cc1)-c1nnc2sc(C[*:1])nn12
COc1ccc(OCc2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1 CN(C)[*:1] COc1ccc(cc1)OCc1nn2c(nnc2s1)-c1ccc(cc1)[*:1]
COc1ccc(OCc2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1 CN(C)c1ccc(cc1)[*:1] COc1ccc(cc1)OCc1nn2c(nnc2s1)[*:1]
COc1ccc(OCc2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1 COc1ccc(cc1)[*:1] CN(C)c1ccc(cc1)-c1nnc2sc(CO[*:1])nn12
O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCc2ccc(O)cc2C1 C1CCC(C1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCc2ccc(O)cc2C1
CC[NH+](CC)Cc1ccc(C[NH2+]C(C)C)cc1 CC(C)[NH2+]C[*:1] CC[NH+](CC)Cc1ccc(cc1)[*:1]
CC[NH+](CC)Cc1ccc(C[NH2+]C(C)C)cc1 CC(C)[*:1] CC[NH+](CC)Cc1ccc(cc1)C[NH2+][*:1]
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)C(C)(C)C CC(C)(C)[*:1] Cc1nc(sc1C(=O)NNC(=O)CNC(=O)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)C(C)(C)C CC(C)(C)C(=O)NC[*:1] Cc1nc(sc1C(=O)NNC(=O)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)C(C)(C)C CC(C)(C)C(=O)N[*:1] Cc1nc(sc1C(=O)NNC(=O)C[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)C(C)(C)C c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NNC(=O)CNC(=O)C(C)(C)C)[*:1]
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)/C=C/C1CC1 C(=C[*:1])C1CC1 CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[*:1]
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)/C=C/C1CC1 C1CC1[*:1] CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C=C[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc2ccccc12 c1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@H]1c1cccc2ccccc12)[*:1]
[NH3+]C[C@H](CC(=O)N1CCCC1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] [NH3+]C[C@H](CC(=O)N1CCCC1)N[*:1]
[NH3+]C[C@H](CC(=O)N1CCCC1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] [NH3+]C[C@H](CC(=O)N1CCCC1)NC[*:1]
O=C(N[C@H](CN1CCOCC1)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(N[C@H](CN1CCOCC1)c1ccccc1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(N[C@H](CN1CCOCC1)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 c1ccc(cc1)[*:1] O=C(N[C@H](CN1CCOCC1)[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
O=C(N[C@H](CN1CCOCC1)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 C1CN(CCO1)C[*:1] O=C(N[C@H](c1ccccc1)[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
O=C(N[C@H](CN1CCOCC1)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 C1CN(CCO1)[*:1] O=C(N[C@H](C[*:1])c1ccccc1)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
CC[NH+](Cc1ccc(-n2cccn2)cc1)CC1CCOCC1 C1CC(CCO1)C[*:1] CC[NH+](Cc1ccc(cc1)-n1cccn1)[*:1]
CC[NH+](Cc1ccc(-n2cccn2)cc1)CC1CCOCC1 c1cnn(c1)[*:1] CC[NH+](Cc1ccc(cc1)[*:1])CC1CCOCC1
CC[NH+](Cc1ccc(-n2cccn2)cc1)CC1CCOCC1 C1CC(CCO1)[*:1] CC[NH+](Cc1ccc(cc1)-n1cccn1)C[*:1]
CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CCn1c(=O)sc2cc(ccc21)NS(=O)(=O)[*:1]
Cc1[nH+]c([C@@H]2CCCN(C(=O)c3csc(Cc4ccccc4)n3)C2)nc2c1CCCN2C c1ccc(cc1)[*:1] Cc1[nH+]c(nc2c1CCCN2C)[C@@H]1CCCN(C1)C(=O)c1csc(C[*:1])n1
Cc1[nH+]c([C@@H]2CCCN(C(=O)c3csc(Cc4ccccc4)n3)C2)nc2c1CCCN2C c1ccc(cc1)C[*:1] Cc1[nH+]c(nc2c1CCCN2C)[C@@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
Cc1cnc2c(S(=O)(=O)N3CC[NH+]([C@H](C)C(=O)NC4CCCC4)CC3)cccc2c1 O=C(NC1CCCC1)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N1CC[NH+](CC1)[C@H](C)[*:1]
Cc1cnc2c(S(=O)(=O)N3CC[NH+]([C@H](C)C(=O)NC4CCCC4)CC3)cccc2c1 C1CCC(C1)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N1CC[NH+](CC1)[C@H](C)C(=O)N[*:1]
Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccccc2)C2=C1CCCC2=O c1ccc(cc1)[*:1] Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](C2C(=O)CCCC=21)[*:1]
Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccccc2)C2=C1CCCC2=O Cc1c(Cl)cccc1[*:1] N#CC1=C(N)N(C2CCCC(=O)C=2[C@@H]1c1ccccc1)[*:1]
CO[C@H](CNCc1cn(C)nc1-c1cccc(Cl)c1)c1cccs1 c1csc(c1)[*:1] CO[C@H](CNCc1cn(C)nc1-c1cccc(Cl)c1)[*:1]
CO[C@H](CNCc1cn(C)nc1-c1cccc(Cl)c1)c1cccs1 Clc1cccc(c1)[*:1] CO[C@H](CNCc1cn(C)nc1[*:1])c1cccs1
Cc1cnn(-c2ccc([C@H](C)NC(=O)c3cc(Cl)c[nH]3)cc2F)c1 Cc1cnn(c1)[*:1] C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(c(F)c1)[*:1]
Cc1cnn(-c2ccc([C@H](C)NC(=O)c3cc(Cl)c[nH]3)cc2F)c1 Clc1c[nH]c(c1)[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@H](C)NC(=O)[*:1]
C[C@@H](OCC1CC1)C(=O)Nc1cnn(-c2ccccc2F)c1 C[C@@H](OCC1CC1)[*:1] O=C(Nc1cnn(c1)-c1ccccc1F)[*:1]
C[C@@H](OCC1CC1)C(=O)Nc1cnn(-c2ccccc2F)c1 C1CC1CO[*:1] C[C@@H](C(=O)Nc1cnn(c1)-c1ccccc1F)[*:1]
C[C@@H](OCC1CC1)C(=O)Nc1cnn(-c2ccccc2F)c1 C1CC1C[*:1] C[C@@H](O[*:1])C(=O)Nc1cnn(c1)-c1ccccc1F
C[C@@H](OCC1CC1)C(=O)Nc1cnn(-c2ccccc2F)c1 C1CC1[*:1] C[C@@H](OC[*:1])C(=O)Nc1cnn(c1)-c1ccccc1F
C[C@@H](OCC1CC1)C(=O)Nc1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] C[C@@H](OCC1CC1)C(=O)Nc1cnn(c1)[*:1]
C[C@H](Cc1nnc(NC(=O)c2cccc(F)c2)s1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(Nc1nnc(C[*:1])s1)c1cccc(F)c1
C[C@H](Cc1nnc(NC(=O)c2cccc(F)c2)s1)c1ccccc1 Fc1cccc(c1)[*:1] C[C@H](Cc1nnc(NC(=O)[*:1])s1)c1ccccc1
C[C@H](Cc1nnc(NC(=O)c2cccc(F)c2)s1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cc1nnc(NC(=O)c2cccc(F)c2)s1)[*:1]
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(Cc1ccc(s1)[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(Cc1ccc(s1)S(=O)(=O)N1CCCC1)Nc1ccc(cc1)[*:1]
Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Cc1ccccc1Cl Clc1ccccc1C[*:1] Cc1ccc(cc1NC(=O)[*:1])N1CCCS1(=O)=O
Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1ccc(cc1NC(=O)C[*:1])N1CCCS1(=O)=O
Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)Cc1ccccc1Cl O=S1(=O)CCCN1[*:1] Cc1ccc(cc1NC(=O)Cc1ccccc1Cl)[*:1]
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1nc2c(s1)CCC2 C1Cc2nc(sc2C1)[*:1] Cc1sc2nc3C(=C[*:1])CCn3c(=O)c2c1C
CCc1[nH+]ccn1CCCS SCC[*:1] CCc1[nH+]ccn1C[*:1]
Cc1ccc2nc([C@@H](C)Cl)n(-c3ccccc3C)c2c1 C[C@@H](Cl)[*:1] Cc1ccc2nc(n(-c3ccccc3C)c2c1)[*:1]
CC(C)c1noc(-c2ccccc2OCC(=O)Nc2cccnc2)n1 CC(C)[*:1] O=C(COc1ccccc1-c1nc(no1)[*:1])Nc1cccnc1
CC(C)c1noc(-c2ccccc2OCC(=O)Nc2cccnc2)n1 CC(C)c1noc(n1)[*:1] O=C(COc1ccccc1[*:1])Nc1cccnc1
CC(C)c1noc(-c2ccccc2OCC(=O)Nc2cccnc2)n1 c1cncc(c1)[*:1] CC(C)c1noc(n1)-c1ccccc1OCC(=O)N[*:1]
CCCNC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCCNC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCCNC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 CCCNC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
CCCNC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)NC(=O)c1ccc(Cl)cc1)N[*:1]
CC[C@H](C)c1ccccc1O[C@H](C)c1cc(-c2ccc(N)cc2)n[nH]1 CC[C@H](C)[*:1] C[C@@H](Oc1ccccc1[*:1])c1cc(n[nH]1)-c1ccc(N)cc1
CC[C@H](C)c1ccccc1O[C@H](C)c1cc(-c2ccc(N)cc2)n[nH]1 Nc1ccc(cc1)[*:1] CC[C@H](C)c1ccccc1O[C@H](C)c1cc(n[nH]1)[*:1]
C[NH+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Br)cc1 Brc1ccc(cc1)C[*:1] C[NH+](CC(=O)Nc1ccccc1C(F)(F)F)[*:1]
C[NH+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[NH+](CC(=O)Nc1ccccc1C(F)(F)F)C[*:1]
C[NH+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Br)cc1 FC(F)(F)[*:1] C[NH+](CC(=O)Nc1ccccc1[*:1])Cc1ccc(Br)cc1
C[C@@H](C(N)=O)N1CCN(Cc2cc3ccccc3s2)CC1 NC(=O)[*:1] C[C@@H](N1CCN(CC1)Cc1cc2ccccc2s1)[*:1]
C[C@@H](C(N)=O)N1CCN(Cc2cc3ccccc3s2)CC1 C[C@@H](C(N)=O)[*:1] c1ccc2sc(cc2c1)CN1CCN(CC1)[*:1]
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CNC(=O)C1CCOCC1)CC2 O=C(NC[*:1])C1CCOCC1 COc1cc2CCN(C(=O)[*:1])[C@H](c3cccs3)c2cc1OC
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CNC(=O)C1CCOCC1)CC2 c1csc(c1)[*:1] COc1cc2CCN(C(=O)CNC(=O)C3CCOCC3)[C@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CNC(=O)C1CCOCC1)CC2 O=C(N[*:1])C1CCOCC1 COc1cc2CCN(C(=O)C[*:1])[C@H](c3cccs3)c2cc1OC
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CNC(=O)C1CCOCC1)CC2 C1CC(CCO1)[*:1] COc1cc2CCN(C(=O)CNC(=O)[*:1])[C@H](c3cccs3)c2cc1OC
CSCc1nc2ccccc2n1CC(=O)N(C)C[C@@H](O)C1CC1 CSC[*:1] CN(C[C@@H](O)C1CC1)C(=O)Cn1c(nc2ccccc21)[*:1]
CSCc1nc2ccccc2n1CC(=O)N(C)C[C@@H](O)C1CC1 C1CC1[*:1] CSCc1nc2ccccc2n1CC(=O)N(C)C[C@@H](O)[*:1]
CC[C@H](C)NC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 CC[C@H](C)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)NC(N)=O
CC[C@H](C)NC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] CC[C@H](C)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1ccc(C(F)(F)F)nc1C)cn2C FC(F)(F)[*:1] COc1ccc2c(c1)c(cn2C)C[C@H](C)NC(=O)c1ccc(nc1C)[*:1]
CC(=O)Cc1nsc(NC[C@H]2CCCO2)n1 CC(=O)[*:1] C1CO[C@H](C1)CNc1nc(C[*:1])ns1
CC(=O)Cc1nsc(NC[C@H]2CCCO2)n1 CC(=O)C[*:1] C1CO[C@H](C1)CNc1nc(ns1)[*:1]
CC(=O)Cc1nsc(NC[C@H]2CCCO2)n1 C1CO[C@H](C1)[*:1] CC(=O)Cc1nsc(n1)NC[*:1]
O=C(Cn1nnn(-c2cccs2)c1=O)N1CCOCC1 c1csc(c1)[*:1] O=C(Cn1nnn(c1=O)[*:1])N1CCOCC1
O=S(=O)(c1ccc(COc2cccc[n+]2[O-])o1)N1CCCC1 [O-][n+]1ccccc1[*:1] O=S(=O)(c1ccc(CO[*:1])o1)N1CCCC1
COC(=O)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 COC(=O)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(cc1)-n1ccnc1
COC(=O)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 COC(=O)C[C@H](C)[*:1] O=C(N[*:1])c1ccc(cc1)-n1ccnc1
COC(=O)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 COC(=O)C[*:1] C[C@H](NC(=O)c1ccc(cc1)-n1ccnc1)[*:1]
COC(=O)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] COC(=O)C[C@H](C)NC(=O)c1ccc(cc1)[*:1]
Cc1ccccc1Cc1nc2ccccc2n1CC(=O)N1CCCCC1 Cc1ccccc1[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)N1CCCCC1
Cc1ccccc1Cc1nc2ccccc2n1CC(=O)N1CCCCC1 Cc1ccccc1C[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCCCC1
Cc1ccccc1Cc1nc2ccccc2n1CC(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] Cc1ccccc1Cc1nc2ccccc2n1C[*:1]
O=[N+]([O-])c1ccc(/C=N/N[C@H]2N=NNN2)s1 O=[N+]([O-])[*:1] C(=N/N[C@H]1N=NNN1)\c1ccc(s1)[*:1]
CCOc1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1 CCO[*:1] c1coc(c1)-c1nn2c(nnc2s1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1 c1coc(c1)[*:1] CCOc1ccc(cc1)-c1nnc2sc(nn12)[*:1]
Cc1c(F)cccc1NC(=O)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 CC(C)O[*:1] Cc1c(F)cccc1NC(=O)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1c(F)cccc1NC(=O)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 CC(C)[*:1] Cc1c(F)cccc1NC(=O)C(=O)N[C@@H](C)c1ccc(cc1)O[*:1]
Cc1c(F)cccc1NC(=O)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 Cc1c(F)cccc1[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)C(=O)N[*:1]
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1nn(-c2ccccc2)cc1[O-] Cc1nn(C)c(C)c1[*:1] C[C@@H](C[*:1])NC(=O)c1nn(cc1[O-])-c1ccccc1
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1nn(-c2ccccc2)cc1[O-] c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1nn(cc1[O-])[*:1]
CC(C)c1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)CO)CC2)c1 CC(C)[*:1] C[C@H](Oc1cccc(c1)[*:1])C(=O)N1CCN(CC1)C(=O)CO
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)c2c(F)cccc2F)cc1 Cc1ccc(cc1)[*:1] O=C(NCC[C@H]1CCCCN1S(=O)(=O)[*:1])c1c(F)cccc1F
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)c2c(F)cccc2F)cc1 Fc1cccc(F)c1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)[*:1]
Clc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)s1 Clc1ccc(s1)[*:1] C1C[C@@H](CC2(CCSCC2)O1)[NH2+]C[*:1]
NC(=O)C[NH+]1CCCN(C(=O)Nc2cccnc2-n2cccn2)CC1 NC(=O)C[*:1] O=C(Nc1cccnc1-n1cccn1)N1CCC[NH+](CC1)[*:1]
NC(=O)C[NH+]1CCCN(C(=O)Nc2cccnc2-n2cccn2)CC1 NC(=O)[*:1] O=C(Nc1cccnc1-n1cccn1)N1CCC[NH+](CC1)C[*:1]
NC(=O)C[NH+]1CCCN(C(=O)Nc2cccnc2-n2cccn2)CC1 c1cnn(c1)[*:1] NC(=O)C[NH+]1CCCN(CC1)C(=O)Nc1cccnc1[*:1]
COc1ccc(CCCN(C)C(=O)C2(O)Cc3ccccc3C2)cc1 COc1ccc(cc1)[*:1] CN(CCC[*:1])C(=O)C1(O)Cc2ccccc2C1
CN(C(=O)CCCN1C(=O)CNC1=O)c1ccc2ccccc2c1 O=C1CNC(=O)N1[*:1] CN(C(=O)CCC[*:1])c1ccc2ccccc2c1
CN(C(=O)CCCN1C(=O)CNC1=O)c1ccc2ccccc2c1 O=C1CNC(=O)N1C[*:1] CN(C(=O)CC[*:1])c1ccc2ccccc2c1
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](CO)[*:1]
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](CO)c1ccco1 Clc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N[C@@H](CO)c1ccco1
O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccn2ccsc12 c1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1ccn2ccsc12
O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccn2ccsc12 c1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)c1ccn2ccsc12
Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)C)cc2)on1 CC(C)[*:1] Cc1cc(on1)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)C)cc2)on1 Cc1cc(on1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1[*:1]
O=C(NCc1ccco1)[C@H](c1ccccc1)n1cccc1 c1ccc(cc1)[*:1] O=C(NCc1ccco1)[C@H](n1cccc1)[*:1]
O=C(NCc1ccco1)[C@H](c1ccccc1)n1cccc1 c1ccn(c1)[*:1] O=C(NCc1ccco1)[C@H](c1ccccc1)[*:1]
O=C(NCc1ccco1)[C@H](c1ccccc1)n1cccc1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H](c1ccccc1)n1cccc1
O=C(NCc1ccco1)[C@H](c1ccccc1)n1cccc1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H](c1ccccc1)n1cccc1
CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 CC(C)(C)OC(=O)N[*:1] O=C(CCC[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 CC(C)(C)[*:1] O=C(CCCNC(=O)O[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
COc1ccc(OC)c([C@H](C)[C@@H](Cl)C(C)C)c1 CC(C)[*:1] COc1ccc(OC)c(c1)[C@H](C)[C@@H](Cl)[*:1]
Cc1ccc(-n2c(=O)c3sccc3n(Cc3nc(-c4cccc(Br)c4)no3)c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c2sccc2n(Cc2nc(no2)-c2cccc(Br)c2)c(=O)n1[*:1]
Cc1ccc(-n2c(=O)c3sccc3n(Cc3nc(-c4cccc(Br)c4)no3)c2=O)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)-n1c(=O)c2sccc2n(Cc2nc(no2)[*:1])c1=O
Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2cn(C)nc2C)n1 Cc1cc(Cl)ccc1[*:1] Cc1nn(C)cc1/C=N/Nc1nc(n[nH]1)SCC(=O)N[*:1]
Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2cn(C)nc2C)n1 Cc1nn(C)cc1[*:1] Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(n1)NN=C[*:1]
COc1cc(C[NH2+]Cc2ccn(C)n2)cc(OC)c1 Cn1ccc(n1)[*:1] COc1cc(cc(c1)OC)C[NH2+]C[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CC1CCCCC1 C1CCC(CC1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[*:1]
O=C(c1ccc(Cl)cc1)N1CCS[C@@]12C(=O)N(Cc1c(F)cccc1F)c1ccccc12 Fc1cccc(F)c1C[*:1] O=C(c1ccc(Cl)cc1)N1CCS[C@@]12C(=O)N(c1ccccc12)[*:1]
O=C(c1ccc(Cl)cc1)N1CCS[C@@]12C(=O)N(Cc1c(F)cccc1F)c1ccccc12 Clc1ccc(cc1)[*:1] O=C1N(Cc2c(F)cccc2F)c2ccccc2[C@]12SCCN2C(=O)[*:1]
O=C(c1ccc(Cl)cc1)N1CCS[C@@]12C(=O)N(Cc1c(F)cccc1F)c1ccccc12 Fc1cccc(F)c1[*:1] O=C(c1ccc(Cl)cc1)N1CCS[C@@]12C(=O)N(C[*:1])c1ccccc12
COc1cccc([C@@H](CO)NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1 C1CC1[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1cccc([C@@H](CO)NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1 COc1cccc(c1)[*:1] O=C(N[C@H](CO)[*:1])[C@@H]1CCCN(C1)C(=O)C1CC1
CC(C)(C)[NH2+]CC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)[NH2+]CC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1[*:1]
CC(C)(C)[NH2+]CC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] CC(C)(C)[NH2+]C[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)[*:1]
CC(C)(C)[NH2+]CC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] CC(C)(C)[NH2+][*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)C[*:1]
CC(C)(C)[NH2+]CC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)C[NH2+][*:1]
CCc1nn(C)cc1C(=O)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CCc1nn(C)cc1C(=O)N[C@@H](CC)c1cccc(c1)[*:1]
CCc1nn(C)cc1C(=O)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1 CCc1nn(C)cc1[*:1] CC[C@H](NC(=O)[*:1])c1cccc(c1)S(N)(=O)=O
COc1cccc2cc(C[NH+](C)Cc3nnc(C4CC4)n3C)oc12 C1CC1[*:1] COc1cccc2cc(C[NH+](C)Cc3nnc(n3C)[*:1])oc12
CCCO[C@H]1CCCN(C(=O)c2c(F)cc(Br)cc2F)C1 CCCO[*:1] O=C(c1c(F)cc(Br)cc1F)N1CCC[C@@H](C1)[*:1]
CCCO[C@H]1CCCN(C(=O)c2c(F)cc(Br)cc2F)C1 CCC[*:1] O=C(c1c(F)cc(Br)cc1F)N1CCC[C@@H](C1)O[*:1]
CCN(C)c1cncc(C[NH2+]C(C)C)n1 CCN(C)[*:1] CC(C)[NH2+]Cc1cncc(n1)[*:1]
CCN(C)c1cncc(C[NH2+]C(C)C)n1 CC(C)[*:1] CCN(C)c1cncc(C[NH2+][*:1])n1
CO[C@]1(C)C[C@H](NC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)C1(C)C CC(=O)N[*:1] CO[C@]1(C)C[C@H](NC(=O)[C@@H](C)Sc2ccc(cc2)[*:1])C1(C)C
CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC2(C)C)c(C(F)(F)F)c1 CCO[*:1] CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC2(C)C)c(C(F)(F)F)c1 FC(F)(F)[*:1] CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC2(C)C)c(c1)[*:1]
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)[*:1])Nc1ccc2OCOc2c1
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 Clc1ccc(cc1)C[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])Nc1ccc2OCOc2c1
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N[*:1]
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 Clc1ccc(cc1)[*:1] O=C(CN(C[*:1])S(=O)(=O)c1ccccc1)Nc1ccc2OCOc2c1
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2c(O)cc(F)cc2F)C1 CCNS(=O)(=O)[*:1] O=C(c1c(O)cc(F)cc1F)N1CC[C@@H](C1)[*:1]
COC(=O)Nc1ccc(NC(=O)[C@H](c2ccccc2)C(C)C)cc1 c1ccc(cc1)[*:1] COC(=O)Nc1ccc(cc1)NC(=O)[C@H](C(C)C)[*:1]
COC(=O)Nc1ccc(NC(=O)[C@H](c2ccccc2)C(C)C)cc1 COC(=O)N[*:1] CC(C)[C@H](C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
COC(=O)Nc1ccc(NC(=O)[C@H](c2ccccc2)C(C)C)cc1 CC(C)[*:1] COC(=O)Nc1ccc(cc1)NC(=O)[C@H](c1ccccc1)[*:1]
CCN(Cc1ccccc1C)C(=O)c1cccnc1N1CCOCC1 Cc1ccccc1C[*:1] CCN(C(=O)c1cccnc1N1CCOCC1)[*:1]
CCN(Cc1ccccc1C)C(=O)c1cccnc1N1CCOCC1 Cc1ccccc1[*:1] CCN(C[*:1])C(=O)c1cccnc1N1CCOCC1
CCN(Cc1ccccc1C)C(=O)c1cccnc1N1CCOCC1 C1CN(CCO1)[*:1] CCN(Cc1ccccc1C)C(=O)c1cccnc1[*:1]
Nc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] Nc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)[*:1]
O=C(NC[C@@H]1CCCCO1)[C@H]1C=C(COc2ccccc2)N=N1 C1CC[C@@H](C[*:1])OC1 O=C(N[*:1])[C@H]1C=C(COc2ccccc2)N=N1
O=C(NC[C@@H]1CCCCO1)[C@H]1C=C(COc2ccccc2)N=N1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCCO1)[C@H]1C=C(CO[*:1])N=N1
O=C(NC[C@@H]1CCCCO1)[C@H]1C=C(COc2ccccc2)N=N1 C1CC[C@H](OC1)[*:1] O=C(NC[*:1])[C@H]1C=C(COc2ccccc2)N=N1
O=C(NC[C@@H]1CCCCO1)[C@H]1C=C(COc2ccccc2)N=N1 c1ccc(cc1)O[*:1] O=C(NC[C@@H]1CCCCO1)[C@H]1C=C(C[*:1])N=N1
CCOc1ccccc1C(=O)N1CCN(c2[nH+]c3ccccc3n2CC)CC1 CCO[*:1] CCn1c([nH+]c2ccccc21)N1CCN(CC1)C(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)N1CCN(c2[nH+]c3ccccc3n2CC)CC1 CCOc1ccccc1[*:1] CCn1c([nH+]c2ccccc21)N1CCN(CC1)C(=O)[*:1]
CN/C(=[NH+]\C)SCC(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] CN/C(=[NH+]\C)SCC(=O)N(C)C[*:1]
Cc1cc(NC(=O)C(=O)NC[C@](C)(O)CSc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C(=O)NC[C@](C)(O)CS[*:1]
Cc1cc(NC(=O)C(=O)NC[C@](C)(O)CSc2ccccc2)no1 c1ccc(cc1)S[*:1] Cc1cc(no1)NC(=O)C(=O)NC[C@](C)(O)C[*:1]
Cc1cc(NC(=O)C(=O)NC[C@](C)(O)CSc2ccccc2)no1 c1ccc(cc1)SC[*:1] Cc1cc(no1)NC(=O)C(=O)NC[C@](C)(O)[*:1]
Cc1cc(NC(=O)C(=O)NC[C@](C)(O)CSc2ccccc2)no1 Cc1cc(no1)[*:1] C[C@](O)(CNC(=O)C(=O)N[*:1])CSc1ccccc1
CCOc1ccccc1NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 CCO[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CN(CCO1)Cc1ccccc1
CCOc1ccccc1NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)[C@H]1CN(CCO1)C[*:1]
CCOc1ccccc1NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] CCOc1ccccc1NC(=O)[C@H]1CN(CCO1)[*:1]
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccnn1Cc1cccc(Cl)c1Cl O=[N+]([O-])c1ccn(n1)[*:1] O=C(C[*:1])Nc1ccnn1Cc1cccc(Cl)c1Cl
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccnn1Cc1cccc(Cl)c1Cl O=[N+]([O-])[*:1] O=C(Cn1ccc(n1)[*:1])Nc1ccnn1Cc1cccc(Cl)c1Cl
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccnn1Cc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(Cn1ccc(n1)[N+](=O)[O-])Nc1ccnn1C[*:1]
O=C(c1ccncc1Cl)N(Cc1ccc(F)cc1)C1CC1 C1CC1[*:1] O=C(c1ccncc1Cl)N(Cc1ccc(F)cc1)[*:1]
O=C(c1ccncc1Cl)N(Cc1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] O=C(c1ccncc1Cl)N(C[*:1])C1CC1
O=C(c1ccncc1Cl)N(Cc1ccc(F)cc1)C1CC1 Clc1cnccc1[*:1] O=C(N(Cc1ccc(F)cc1)C1CC1)[*:1]
O=C(c1cc(-c2ccncc2)on1)N1CCOC[C@@H]1C1CC1 c1cc(ccn1)[*:1] O=C(c1cc(on1)[*:1])N1CCOC[C@@H]1C1CC1
O=C(c1cc(-c2ccncc2)on1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(c1cc(on1)-c1ccncc1)N1CCOC[C@H]1[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@H](c1ccccc1)C1CC1 CCC[*:1] C[C@@](CO)(NC(=O)N[C@H](c1ccccc1)C1CC1)[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@H](c1ccccc1)C1CC1 CCC[C@@](C)(CO)[*:1] O=C(N[C@H](c1ccccc1)C1CC1)N[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@H](c1ccccc1)C1CC1 C1CC1[*:1] CCC[C@@](C)(CO)NC(=O)N[C@H](c1ccccc1)[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] CCC[C@@](C)(CO)NC(=O)N[C@H](C1CC1)[*:1]
O=C(N[C@H](CO)c1ccccc1F)c1ccc2nncn2c1 Fc1ccccc1[*:1] O=C(N[C@H](CO)[*:1])c1ccc2nncn2c1
C[C@@H](NC(=O)CSc1nc(N)cc(N)n1)c1ccc2ccccc2c1 Nc1cc(N)nc(n1)[*:1] C[C@@H](NC(=O)CS[*:1])c1ccc2ccccc2c1
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccco1)c1ccccc1 Fc1ccccc1[*:1] O=C(C1=C([O-])C(=O)N(c2nnc(SC[*:1])s2)[C@@H]1c1ccco1)c1ccccc1
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccco1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccco2)N1c1nnc(SCc2ccccc2F)s1
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccco1)c1ccccc1 Fc1ccccc1CS[*:1] O=C(C1=C([O-])C(=O)N(c2nnc(s2)[*:1])[C@@H]1c1ccco1)c1ccccc1
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccco1)c1ccccc1 Fc1ccccc1C[*:1] O=C(C1=C([O-])C(=O)N(c2nnc(S[*:1])s2)[C@@H]1c1ccco1)c1ccccc1
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccco1)c1ccccc1 c1coc(c1)[*:1] O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccco1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@@H](c2ccco2)N1c1nnc(SCc2ccccc2F)s1)[*:1]
Cc1ccc(F)c(C(=O)N2CCC(C(=O)Nc3ncccn3)CC2)c1 Cc1ccc(F)c(c1)[*:1] O=C(Nc1ncccn1)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(F)c(C(=O)N2CCC(C(=O)Nc3ncccn3)CC2)c1 c1cnc(nc1)[*:1] Cc1ccc(F)c(c1)C(=O)N1CCC(CC1)C(=O)N[*:1]
CCOC(=O)C1(C)CCN(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 c1ccc(cc1)C[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)Nc1cnn(c1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)Nc1cnn(c1)C[*:1]
CCOC(=O)C1(C)CCN(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)Nc1cnn(c1)Cc1ccccc1)[*:1]
CSCc1nc2sc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)c(C)c2c(=O)[nH]1 Fc1ccccc1O[*:1] CSCc1nc2sc(C(=O)NNC(=O)[C@H](C)[*:1])c(C)c2c(=O)[nH]1
CSCc1nc2sc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)c(C)c2c(=O)[nH]1 C[C@H](Oc1ccccc1F)[*:1] CSCc1nc2sc(C(=O)NNC(=O)[*:1])c(C)c2c(=O)[nH]1
CSCc1nc2sc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)c(C)c2c(=O)[nH]1 CSC[*:1] Cc1c(sc2nc([nH]c(=O)c12)[*:1])C(=O)NNC(=O)[C@H](C)Oc1ccccc1F
CSCc1nc2sc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)c(C)c2c(=O)[nH]1 Fc1ccccc1[*:1] CSCc1nc2sc(C(=O)NNC(=O)[C@H](C)O[*:1])c(C)c2c(=O)[nH]1
CN(C(=O)COC1CCCCC1)c1cccc2ncccc12 C1CCC(CC1)[*:1] CN(C(=O)CO[*:1])c1cccc2ncccc12
CN(C(=O)COC1CCCCC1)c1cccc2ncccc12 C1CCC(CC1)O[*:1] CN(C(=O)C[*:1])c1cccc2ncccc12
Cc1ccccc1-n1cnn(CN2CCN(c3cc[nH+]cc3)CC2)c1=S Cc1ccccc1[*:1] S=c1n(cnn1CN1CCN(CC1)c1cc[nH+]cc1)[*:1]
Cc1ccc(C(=O)CSc2nc3n(n2)CCCCC3)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nc2CCCCCn2n1)[*:1]
C[C@H](CCc1cccn1C)NC(=O)N1CCO[C@@H](C#N)C1 Cn1cccc1C[*:1] C[C@H](C[*:1])NC(=O)N1CCO[C@@H](C#N)C1
C[C@H](CCc1cccn1C)NC(=O)N1CCO[C@@H](C#N)C1 Cn1cccc1[*:1] C[C@H](CC[*:1])NC(=O)N1CCO[C@@H](C#N)C1
CC(=O)c1cc2c(cc1NC(=O)c1cccc(C)c1C)OCO2 CC(=O)[*:1] Cc1cccc(C(=O)Nc2cc3OCOc3cc2[*:1])c1C
CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 O=C([O-])[*:1] CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc(F)c(c1)[*:1]
CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 CN(C)[*:1] O=C([O-])c1cc(ccc1F)S(=O)(=O)Nc1cccc(Cl)c1[*:1]
CCCn1nc(C(=O)Nc2ccc(Br)cc2F)ccc1=O CCC[*:1] O=C(Nc1ccc(Br)cc1F)c1ccc(=O)n(n1)[*:1]
CCCN(CC)C(=O)COc1ccc(/C(N)=N/O)cc1 N/C(=N\O)[*:1] CCCN(CC)C(=O)COc1ccc(cc1)[*:1]
CCCN(CC)C(=O)COc1ccc(/C(N)=N/O)cc1 CCC[*:1] CCN(C(=O)COc1ccc(cc1)/C(N)=N/O)[*:1]
COc1ccc(-c2nc(CN3CCN(C(=O)c4cccc(OC)c4)CC3)cs2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)Cc1csc(n1)[*:1]
COc1ccc(-c2nc(CN3CCN(C(=O)c4cccc(OC)c4)CC3)cs2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)-c1nc(cs1)CN1CCN(CC1)C(=O)[*:1]
Cc1ccccc1-c1nc(C(=O)Oc2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1ccccc1-c1nc(cs1)C(=O)O[*:1]
Cc1ccccc1-c1nc(C(=O)Oc2ccccc2)cs1 Cc1ccccc1[*:1] O=C(Oc1ccccc1)c1csc(n1)[*:1]
C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)c1ccc(N)c(c1)[N+](=O)[O-])[*:1]
C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(Cl)c1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1ccc(N)c(c1)[*:1])c1cccc(Cl)c1
Cc1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 O=[N+]([O-])[*:1] Cc1cnc(NC(=O)c2cc(ccc2Cl)[*:1])s1
Cc1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 Cc1cnc(s1)[*:1] O=C(N[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
N#Cc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)N[C@H](CN1CCOCC1)[*:1]
N#Cc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)[*:1]
N#Cc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 C1CN(CCO1)C[*:1] N#Cc1ccc(cc1)S(=O)(=O)N[C@H](c1ccccc1)[*:1]
N#Cc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 C1CN(CCO1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)N[C@H](C[*:1])c1ccccc1
CN(CC(=O)N1CCC(c2ccccc2)CC1)S(=O)(=O)c1ccccc1C#N c1ccc(cc1)[*:1] CN(CC(=O)N1CCC(CC1)[*:1])S(=O)(=O)c1ccccc1C#N
CN(CC(=O)N1CCC(c2ccccc2)CC1)S(=O)(=O)c1ccccc1C#N N#Cc1ccccc1[*:1] CN(CC(=O)N1CCC(CC1)c1ccccc1)S(=O)(=O)[*:1]
CC1(C)C[C@@H](NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)CCO1 CC1(C)C[C@@H](CCO1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1n[nH]c2ccccc12
COC(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 COC(=O)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1ccc(cc1)[*:1]
COc1cc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc(OC)c1OC c1cnc2sc(nc2c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1C)[*:1]
COC(=O)c1sc2ccc(NC(=O)NC(C)C)cc2c1OC COC(=O)[*:1] COc1c(sc2ccc(cc12)NC(=O)NC(C)C)[*:1]
COC(=O)c1sc2ccc(NC(=O)NC(C)C)cc2c1OC CC(C)[*:1] COC(=O)c1sc2ccc(cc2c1OC)NC(=O)N[*:1]
COC(=O)c1sc2ccc(NC(=O)NC(C)C)cc2c1OC CC(C)NC(=O)N[*:1] COC(=O)c1sc2ccc(cc2c1OC)[*:1]
CC[C@H](NC(=O)c1sc(-c2ccc(Cl)s2)nc1C)C(=O)OC Clc1ccc(s1)[*:1] CC[C@H](NC(=O)c1sc(nc1C)[*:1])C(=O)OC
CC[C@H](NC(=O)c1sc(-c2ccc(Cl)s2)nc1C)C(=O)OC CC[C@H](C(=O)OC)[*:1] Cc1nc(sc1C(=O)N[*:1])-c1ccc(Cl)s1
CC[C@H](NC(=O)c1sc(-c2ccc(Cl)s2)nc1C)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)c1sc(nc1C)-c1ccc(Cl)s1)[*:1]
O=C(Nc1ccc(Br)cc1)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] O=C(Nc1ccc(Br)cc1)Nc1nnc(s1)[*:1]
CO[C@H](CNC(=O)N[C@H](CO)c1ccco1)c1cccc(Cl)c1 c1coc(c1)[*:1] CO[C@H](CNC(=O)N[C@H](CO)[*:1])c1cccc(Cl)c1
CO[C@H](CNC(=O)N[C@H](CO)c1ccco1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@H](CNC(=O)N[C@H](CO)c1ccco1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccccc1CC(N)=O NC(=O)C[*:1] Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccccc1[*:1]
Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccccc1CC(N)=O Cc1ccccc1[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1CC(N)=O)[*:1]
Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccccc1CC(N)=O NC(=O)[*:1] Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccccc1C[*:1]
Cc1c(NC(=O)[C@@H]2CCC[C@@H](C)C2)cccc1N1CCOC1=O O=C1OCCN1[*:1] Cc1c(cccc1[*:1])NC(=O)[C@@H]1CCC[C@@H](C)C1
C/[NH+]=C(/NCc1cc(N(C)C)[nH+]c2ccccc12)N[C@H](C)c1ccc(C)o1 Cc1ccc(o1)[C@@H](C)[*:1] C/[NH+]=C(/NCc1cc([nH+]c2ccccc12)N(C)C)N[*:1]
C/[NH+]=C(/NCc1cc(N(C)C)[nH+]c2ccccc12)N[C@H](C)c1ccc(C)o1 Cc1ccc(o1)[*:1] C/[NH+]=C(/NCc1cc([nH+]c2ccccc12)N(C)C)N[C@H](C)[*:1]
C/[NH+]=C(/NCc1cc(N(C)C)[nH+]c2ccccc12)N[C@H](C)c1ccc(C)o1 CN(C)[*:1] C/[NH+]=C(/NCc1cc([nH+]c2ccccc12)[*:1])N[C@H](C)c1ccc(C)o1
COc1ccc(Cl)cc1C[NH2+]CCC(=O)[O-] O=C([O-])[*:1] COc1ccc(Cl)cc1C[NH2+]CC[*:1]
C[C@@H]([C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCOCC1 O=[N+]([O-])[*:1] C[C@@H]([C@@H](C)NC(=O)CN(C)c1ccccc1[*:1])N1CCOCC1
C[C@@H]([C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCOCC1 C[C@@H](N1CCOCC1)[*:1] C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[*:1]
C[C@@H]([C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-])N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]([C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[*:1]
CC[C@@H](C)CN(C)C(=O)[C@@H]1SCCc2sccc21 CC[C@@H](C)C[*:1] CN(C(=O)[C@@H]1SCCc2sccc21)[*:1]
CC[C@@H](C)CN(C)C(=O)[C@@H]1SCCc2sccc21 CC[C@@H](C)[*:1] CN(C[*:1])C(=O)[C@@H]1SCCc2sccc21
CN1C[C@@H](NC(=O)Nc2cnc(-c3ccccc3)s2)CCC1=O c1ccc(cc1)[*:1] CN1C[C@H](CCC1=O)NC(=O)Nc1cnc(s1)[*:1]
CC[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 CC[C@H](C#N)[*:1] O=C(O[*:1])[C@@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F
CC[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)[*:1]
C[C@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ccc(cc1)CS(C)(=O)=O)O[*:1]
C[C@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)Oc1ccccc1 CS(=O)(=O)C[*:1] C[C@H](CNC(=O)c1ccc(cc1)[*:1])Oc1ccccc1
C[C@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNC(=O)c1ccc(cc1)CS(C)(=O)=O)[*:1]
C[C@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)Oc1ccccc1 CS(=O)(=O)[*:1] C[C@H](CNC(=O)c1ccc(cc1)C[*:1])Oc1ccccc1
CC(C)(O)CC[NH2+][C@@H]1CCCc2sccc21 CC(C)(O)[*:1] c1cc2c(CCC[C@H]2[NH2+]CC[*:1])s1
CC(C)(O)CC[NH2+][C@@H]1CCCc2sccc21 CC(C)(O)C[*:1] c1cc2c(CCC[C@H]2[NH2+]C[*:1])s1
CCC[C@H](C#N)C(=O)N(CC)C[C@H](C)CC CCC[*:1] CC[C@@H](C)CN(CC)C(=O)[C@@H](C#N)[*:1]
CCC[C@H](C#N)C(=O)N(CC)C[C@H](C)CC CC[C@@H](C)[*:1] CCC[C@H](C#N)C(=O)N(CC)C[*:1]
CCC[C@H](C#N)C(=O)N(CC)C[C@H](C)CC CC[C@@H](C)C[*:1] CCC[C@H](C#N)C(=O)N(CC)[*:1]
Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C[C@H](c1ccc(Br)cc1)N2 Clc1ccc(c(Cl)c1)[*:1] Nc1nc2N[C@H](C[C@H](n2n1)[*:1])c1ccc(Br)cc1
Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C[C@H](c1ccc(Br)cc1)N2 Brc1ccc(cc1)[*:1] Nc1nc2N[C@@H](C[C@H](c3ccc(Cl)cc3Cl)n2n1)[*:1]
COc1ccc(OCc2cc(C(=O)N3CCc4n[nH]cc4C3)n[nH]2)c(Cl)c1 COc1ccc(c(Cl)c1)[*:1] O=C(c1cc(CO[*:1])[nH]n1)N1CCc2n[nH]cc2C1
O=C1CN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccc(Cl)cc3)c2)CCN1 Clc1ccc(cc1)[*:1] O=C1CN(CCN1)C(=O)c1cccc(c1)S(=O)(=O)N(Cc1ccccc1)[*:1]
O=C1CN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccc(Cl)cc3)c2)CCN1 O=C1CN(CCN1)C(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N(Cc1ccccc1)c1ccc(Cl)cc1
O=C1CN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccc(Cl)cc3)c2)CCN1 c1ccc(cc1)C[*:1] O=C1CN(CCN1)C(=O)c1cccc(c1)S(=O)(=O)N(c1ccc(Cl)cc1)[*:1]
O=C1CN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccc(Cl)cc3)c2)CCN1 c1ccc(cc1)[*:1] O=C1CN(CCN1)C(=O)c1cccc(c1)S(=O)(=O)N(C[*:1])c1ccc(Cl)cc1
O=S(=O)(c1ccc(F)cc1F)N1CCC[C@H](C2OCCO2)C1 C1COC(O1)[*:1] O=S(=O)(c1ccc(F)cc1F)N1CCC[C@H](C1)[*:1]
CCCCN(C)C(=O)c1ccc(COc2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] CCCCN(C)C(=O)c1ccc(CO[*:1])o1
CCCCN(C)C(=O)c1ccc(COc2ccc(F)cc2)o1 CCCC[*:1] CN(C(=O)c1ccc(COc2ccc(F)cc2)o1)[*:1]
CCCCN(C)C(=O)c1ccc(COc2ccc(F)cc2)o1 CCC[*:1] CN(C[*:1])C(=O)c1ccc(COc2ccc(F)cc2)o1
CCc1cc(CNC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)on1 CC(C)C[*:1] CCc1cc(CNC(=O)[C@@H]2CCCN(C2)C(=O)N[*:1])on1
CCc1cc(CNC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)on1 CCc1cc(on1)[*:1] CC(C)CNC(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CCc1cc(CNC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)on1 CC(C)[*:1] CCc1cc(CNC(=O)[C@@H]2CCCN(C2)C(=O)NC[*:1])on1
CCc1cc(CNC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)on1 CCc1cc(C[*:1])on1 CC(C)CNC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CSCC(=O)NNC(=O)c1csc2c1CC[C@H](C)C2 CSC[*:1] C[C@H]1CCc2c(csc2C1)C(=O)NNC(=O)[*:1]
CCOc1ccc(/C=C/C(=O)NCC(C)(C)O)cc1OC CC(C)(O)C[*:1] CCOc1ccc(/C=C/C(=O)N[*:1])cc1OC
CCOc1ccc(/C=C/C(=O)NCC(C)(C)O)cc1OC CC(C)(O)[*:1] CCOc1ccc(/C=C/C(=O)NC[*:1])cc1OC
CCOc1ccc(/C=C/C(=O)NCC(C)(C)O)cc1OC CCO[*:1] COc1cc(/C=C/C(=O)NCC(C)(C)O)ccc1[*:1]
CCOc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1nc(cc(n1)N1CCN(CC1)C(=O)N[*:1])N(C)C
CCOc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 CN(C)[*:1] CCOc1ccc(cc1)NC(=O)N1CCN(CC1)c1cc(nc(C)n1)[*:1]
CCOc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 CCO[*:1] Cc1nc(cc(n1)N1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1])N(C)C
C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C(=O)N1[*:1]
CC(C)CCC(=O)NNC(=O)c1ccc(Br)cc1[N+](=O)[O-] CC(C)CC[*:1] O=C(NNC(=O)[*:1])c1ccc(Br)cc1[N+](=O)[O-]
CC(C)CCC(=O)NNC(=O)c1ccc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)CCC(=O)NNC(=O)c1ccc(Br)cc1[*:1]
CC(C)CCC(=O)NNC(=O)c1ccc(Br)cc1[N+](=O)[O-] CC(C)C[*:1] O=C(C[*:1])NNC(=O)c1ccc(Br)cc1[N+](=O)[O-]
CC(C)CCC(=O)NNC(=O)c1ccc(Br)cc1[N+](=O)[O-] CC(C)[*:1] O=C(CC[*:1])NNC(=O)c1ccc(Br)cc1[N+](=O)[O-]
Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2C[C@H](O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc3n(C[C@H](O)c4ccccc4)c(cn23)[*:1])n(C)c1=O
Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2C[C@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1C[C@H](O)[*:1]
CCO/C([O-])=C(\C#N)C(=O)c1ccc(NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] CCO/C([O-])=C(\C#N)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCO/C([O-])=C(\C#N)C(=O)c1ccc(NC(=O)c2cccs2)cc1 CCO[*:1] N#CC(C(=O)c1ccc(cc1)NC(=O)c1cccs1)=C([O-])[*:1]
CCO/C([O-])=C(\C#N)C(=O)c1ccc(NC(=O)c2cccs2)cc1 O=C(N[*:1])c1cccs1 CCO/C([O-])=C(\C#N)C(=O)c1ccc(cc1)[*:1]
CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 CNC(=O)[*:1] CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(cc1)[*:1]
CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] CNC(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1[*:1]
C[C@@H](c1ccccc1)[C@H](O)C1(C#N)Cc2ccccc2C1 c1ccc(cc1)[*:1] C[C@@H]([C@H](O)C1(C#N)Cc2ccccc2C1)[*:1]
CCO[C@H]1C[C@H](NC(=O)N[C@@H](C)c2ccncc2)C12CCCCC2 C[C@@H](c1ccncc1)[*:1] CCO[C@H]1C[C@H](NC(=O)N[*:1])C12CCCCC2
CCO[C@H]1C[C@H](NC(=O)N[C@@H](C)c2ccncc2)C12CCCCC2 c1cc(ccn1)[*:1] CCO[C@H]1C[C@H](NC(=O)N[C@@H](C)[*:1])C12CCCCC2
CCO[C@H]1C[C@H](NC(=O)N[C@@H](C)c2ccncc2)C12CCCCC2 CCO[*:1] C[C@H](NC(=O)N[C@H]1C[C@@H](C12CCCCC2)[*:1])c1ccncc1
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 CC(C)[*:1] N#Cc1ccccc1O[C@H](C(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])[*:1]
CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 N#Cc1ccccc1[*:1] CC(C)[C@H](O[*:1])C(=O)Nc1ccc(F)c(c1)[N+](=O)[O-]
Cc1cnc2c(c1)nc(N)n2C[C@@H]1CCC(=O)N1 O=C1CC[C@H](N1)[*:1] Cc1cnc2c(c1)nc(N)n2C[*:1]
N#Cc1ccc(S(=O)(=O)N2CCC(CCN3CCOCC3)CC2)cc1 C1CN(CCO1)C[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C[*:1]
N#Cc1ccc(S(=O)(=O)N2CCC(CCN3CCOCC3)CC2)cc1 C1CN(CCO1)CC[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
N#Cc1ccc(S(=O)(=O)N2CCC(CCN3CCOCC3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(N1CCC(CCN2CCOCC2)CC1)[*:1]
N#Cc1ccc(S(=O)(=O)N2CCC(CCN3CCOCC3)CC2)cc1 C1CN(CCO1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)CC[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1 Cc1ccc(cc1)[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N[C@@H](C1CC1)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1 C1CC1[*:1] CNC(=O)c1ccc(OC)c(c1)NC(=O)N[C@@H](c1ccc(C)cc1)[*:1]
CNC(=O)c1ccc(OC)c(NC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1 CNC(=O)[*:1] COc1ccc(cc1NC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)[*:1]
Cc1ccc(-c2nc(CNC(=O)CCc3c(C)nn(C)c3C)co2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CCC(=O)NCc1coc(n1)[*:1]
Cc1ccc(-c2nc(CNC(=O)CCc3c(C)nn(C)c3C)co2)cc1 Cc1nn(C)c(C)c1[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)CC[*:1]
CC(C)N(C1CCC1)S(=O)(=O)c1ccccc1OC(F)(F)F CC(C)[*:1] O=S(=O)(c1ccccc1OC(F)(F)F)N(C1CCC1)[*:1]
CC(C)N(C1CCC1)S(=O)(=O)c1ccccc1OC(F)(F)F C1CC(C1)[*:1] CC(C)N(S(=O)(=O)c1ccccc1OC(F)(F)F)[*:1]
CC(C)N(C1CCC1)S(=O)(=O)c1ccccc1OC(F)(F)F FC(F)(F)[*:1] CC(C)N(C1CCC1)S(=O)(=O)c1ccccc1O[*:1]
CC(C)N(C1CCC1)S(=O)(=O)c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] CC(C)N(C1CCC1)S(=O)(=O)c1ccccc1[*:1]
C[NH+](Cc1cnc(-c2cccnc2)s1)C(C)(C)CO CC(C)(CO)[*:1] C[NH+](Cc1cnc(s1)-c1cccnc1)[*:1]
C[NH+](Cc1cnc(-c2cccnc2)s1)C(C)(C)CO c1cncc(c1)[*:1] C[NH+](Cc1cnc(s1)[*:1])C(C)(C)CO
CN(CCOc1ccccc1)C(=O)[C@H]1CCCN(C(N)=O)C1 c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)[C@H]1CCCN(C1)C(N)=O
CN(CCOc1ccccc1)C(=O)[C@H]1CCCN(C(N)=O)C1 c1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)[C@H]1CCCN(C1)C(N)=O
CC(C)Oc1ccc(CC[C@@H](C)[NH2+]C2CCOCC2)cc1 CC(C)O[*:1] C[C@H](CCc1ccc(cc1)[*:1])[NH2+]C1CCOCC1
CC(C)Oc1ccc(CC[C@@H](C)[NH2+]C2CCOCC2)cc1 CC(C)[*:1] C[C@H](CCc1ccc(cc1)O[*:1])[NH2+]C1CCOCC1
O=C1N[C@@H](C(=O)Nc2ccccc2OCC2CC2)CS1 C1CC1CO[*:1] O=C1N[C@H](CS1)C(=O)Nc1ccccc1[*:1]
O=C1N[C@@H](C(=O)Nc2ccccc2OCC2CC2)CS1 C1CC1[*:1] O=C1N[C@H](CS1)C(=O)Nc1ccccc1OC[*:1]
O=C1N[C@@H](C(=O)Nc2ccccc2OCC2CC2)CS1 C1CC1C[*:1] O=C1N[C@H](CS1)C(=O)Nc1ccccc1O[*:1]
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2c(F)cccc2Cl)NC(=S)N1 Cc1ccccc1[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1c(F)cccc1Cl
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2c(F)cccc2Cl)NC(=S)N1 Fc1cccc(Cl)c1[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1ccccc1C)[*:1]
C[C@H](CO)NC(=O)C(C)(C)c1ccc(F)cc1 C[C@H](CO)[*:1] CC(C)(C(=O)N[*:1])c1ccc(F)cc1
Cn1ccc(NC(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)n1 Cn1ccc(n1)[*:1] O=C(N[*:1])c1cc(Br)cc(c1F)S(=O)(=O)N1CCOCC1
COc1cc(F)cc(C[NH2+][C@@H](C(C)C)C2CC2)c1 C1CC1[*:1] COc1cc(F)cc(c1)C[NH2+][C@@H](C(C)C)[*:1]
COc1cc(F)cc(C[NH2+][C@@H](C(C)C)C2CC2)c1 CC(C)[*:1] COc1cc(F)cc(c1)C[NH2+][C@@H](C1CC1)[*:1]
C[C@H]1CN([C@@H](C)CNC(=O)Nc2ccc(CC(=O)N(C)C)cc2)C[C@H](C)O1 CN(C)C(=O)C[*:1] C[C@H]1CN(C[C@H](C)O1)[C@@H](C)CNC(=O)Nc1ccc(cc1)[*:1]
C[C@H]1CN([C@@H](C)CNC(=O)Nc2ccc(CC(=O)N(C)C)cc2)C[C@H](C)O1 CN(C)C(=O)[*:1] C[C@H]1CN(C[C@H](C)O1)[C@@H](C)CNC(=O)Nc1ccc(cc1)C[*:1]
CCN(C[C@@H](C)C#N)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl C[C@@H](C#N)[*:1] CCN(C[*:1])S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
CCN(C[C@@H](C)C#N)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl C[C@@H](C#N)C[*:1] CCN(S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)[*:1]
CC(C)(C)C(=O)/C(C#N)=C/c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)/C(C#N)=C/c1cnn(c1)[*:1]
CC(C)(C)C(=O)/C(C#N)=C/c1cnn(-c2ccccc2)c1 CC(C)(C)C(=O)[*:1] N#CC(=Cc1cnn(c1)-c1ccccc1)[*:1]
CC(C)(C)C(=O)/C(C#N)=C/c1cnn(-c2ccccc2)c1 CC(C)(C)[*:1] N#C/C(=C\c1cnn(c1)-c1ccccc1)C(=O)[*:1]
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc2ncccc12 c1cc(c2cccnc2c1)[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\N[*:1])[C@H]1CCS(=O)(=O)C1
CNC(=O)[C@H](C)CN(C)C(=O)CCCC1CCCC1 C1CCC(C1)C[*:1] CNC(=O)[C@H](C)CN(C)C(=O)CC[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)CCCC1CCCC1 CNC(=O)[C@H](C)[*:1] CN(C[*:1])C(=O)CCCC1CCCC1
CNC(=O)[C@H](C)CN(C)C(=O)CCCC1CCCC1 CNC(=O)[*:1] C[C@H](CN(C)C(=O)CCCC1CCCC1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)CCCC1CCCC1 C1CCC(C1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)CCC[*:1]
NS(=O)(=O)c1ccccc1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] NS(=O)(=O)c1ccccc1C(=O)N[*:1]
NS(=O)(=O)c1ccccc1C(=O)NC1CCCCC1 NS(=O)(=O)[*:1] O=C(NC1CCCCC1)c1ccccc1[*:1]
CCN(C[C@@H](C)C#N)C(=O)CSc1nc2ccccc2o1 C[C@@H](C#N)C[*:1] CCN(C(=O)CSc1nc2ccccc2o1)[*:1]
CCn1c(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])S[C@H](C)C(=O)c1ccc2CCCc2c1
CCCN(C(=O)CNC(=O)NC)[C@H]1CCc2ccccc2C1 CNC(=O)NC[*:1] CCCN(C(=O)[*:1])[C@H]1CCc2ccccc2C1
CCCN(C(=O)CNC(=O)NC)[C@H]1CCc2ccccc2C1 CNC(=O)N[*:1] CCCN(C(=O)C[*:1])[C@H]1CCc2ccccc2C1
CCCN(C(=O)CNC(=O)NC)[C@H]1CCc2ccccc2C1 CCC[*:1] CNC(=O)NCC(=O)N([C@H]1CCc2ccccc2C1)[*:1]
Cc1nc([C@H]2CSCCO2)nc(C)c1[C@@H](C)C[NH3+] C1CSC[C@@H](O1)[*:1] Cc1nc(nc(C)c1[C@@H](C)C[NH3+])[*:1]
COc1cc(OC)c([C@@H]2CC(=O)N3CN(c4ccccc4OC)CSC3=C2C#N)cc1OC COc1ccccc1[*:1] COc1cc(OC)c(cc1OC)[C@@H]1CC(=O)N2CN(CSC2=C1C#N)[*:1]
CC(C)[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)CCS1 CC(C)[*:1] O=C(c1cc(ccc1Cl)N1CCCC1=O)N1CCS[C@@H](C1)[*:1]
CC(C)[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)CCS1 O=C1CCCN1[*:1] CC(C)[C@@H]1CN(CCS1)C(=O)c1cc(ccc1Cl)[*:1]
Cc1c(NC(=O)c2ccccc2)cccc1N[C@H](C)C(=O)Nc1cccc(C#N)c1 O=C(N[*:1])c1ccccc1 Cc1c(cccc1[*:1])N[C@H](C)C(=O)Nc1cccc(C#N)c1
Cc1c(NC(=O)c2ccccc2)cccc1N[C@H](C)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] Cc1c(cccc1N[C@H](C)C(=O)N[*:1])NC(=O)c1ccccc1
Cc1c(NC(=O)c2ccccc2)cccc1N[C@H](C)C(=O)Nc1cccc(C#N)c1 c1ccc(cc1)[*:1] Cc1c(cccc1N[C@H](C)C(=O)Nc1cccc(C#N)c1)NC(=O)[*:1]
COCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F COCC[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
COCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] COCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1[*:1]
COCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F COC[*:1] O=C(NCC[*:1])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
COCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F COCCC[*:1] O=C(N[*:1])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
CC[C@H]1CCC[C@H](NC(=O)c2csc(C#CCCO)c2)C1 OCCC#C[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)c1csc(c1)[*:1]
CC[C@H]1CCC[C@H](NC(=O)c2csc(C#CCCO)c2)C1 OCC[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)c1csc(C#C[*:1])c1
CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1[C@@H]1CCC[C@H](C1)[*:1]
COC(OC)[C@@](C)(C[NH3+])N(C)Cc1cccc(C)n1 COC(OC)[*:1] Cc1cccc(CN(C)[C@@](C)(C[NH3+])[*:1])n1
Cc1cccc(CCCOC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)n1 Cc1cccc(C[*:1])n1 C[C@]1(Cc2ccccc2C(=O)O1)C(=O)OCC[*:1]
Cc1cccc(CCCOC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)n1 Cc1cccc(n1)[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)OCCC[*:1]
Cc1nc(CNc2ccc(-c3nnnn3C3CC3)cc2)no1 Cc1nc(no1)[*:1] c1cc(ccc1NC[*:1])-c1nnnn1C1CC1
Cc1nc(CNc2ccc(-c3nnnn3C3CC3)cc2)no1 C1CC1[*:1] Cc1nc(CNc2ccc(cc2)-c2nnnn2[*:1])no1
Cc1nc(CNc2ccc(-c3nnnn3C3CC3)cc2)no1 Cc1nc(C[*:1])no1 c1cc(ccc1N[*:1])-c1nnnn1C1CC1
Cc1ncn(C[C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1ncn(C[C@H](C)[NH2+]C[C@H]2CCCO[C@H]2[*:1])c1C
Cc1ncn(C[C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c1C Cc1ncn(C[*:1])c1C C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)[*:1]
Cc1ncn(C[C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c1C Cc1ncn(c1C)[*:1] C[C@@H](C[*:1])[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1
CCCn1c(=O)n(CCC(=O)Nc2cc(C)ccc2OC)c2ccccc21 CCC[*:1] COc1ccc(C)cc1NC(=O)CCn1c(=O)n(c2ccccc21)[*:1]
CCCn1c(=O)n(CCC(=O)Nc2cc(C)ccc2OC)c2ccccc21 COc1ccc(C)cc1[*:1] CCCn1c(=O)n(CCC(=O)N[*:1])c2ccccc21
COc1ccc(CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CNC(=O)Nc1cccc(c1)[*:1]
C[NH+](C)CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 c1nc(cs1)[*:1] C[NH+](C)CC(=O)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
C[NH+](C)CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 c1nc(cs1)C[*:1] C[NH+](C)CC(=O)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
Cc1nc(C2CC[NH2+]CC2)ncc1-c1nc(NC(C)C)ncc1-c1ccc(F)cc1 CC(C)N[*:1] Cc1nc(ncc1-c1nc(ncc1-c1ccc(F)cc1)[*:1])C1CC[NH2+]CC1
Cc1nc(C2CC[NH2+]CC2)ncc1-c1nc(NC(C)C)ncc1-c1ccc(F)cc1 CC(C)[*:1] Cc1nc(ncc1-c1nc(ncc1-c1ccc(F)cc1)N[*:1])C1CC[NH2+]CC1
Cc1nc(C2CC[NH2+]CC2)ncc1-c1nc(NC(C)C)ncc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(ncc1-c1nc(ncc1[*:1])NC(C)C)C1CC[NH2+]CC1
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(CC1)[*:1]
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(Cc2ccccc2)CC1 c1coc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCC(CC1)Cc1ccccc1
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(Cc2ccccc2)CC1 CC(C)[*:1] O=C(N[C@@H](C(=O)N1CCC(CC1)Cc1ccccc1)[*:1])c1ccco1
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(Cc2ccccc2)CC1 O=C(N[*:1])c1ccco1 CC(C)[C@@H](C(=O)N1CCC(CC1)Cc1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(CC1)C[*:1]
C=CC[NH2+][C@@]1(C[NH3+])CSCC(C)(C)C1 C=CC[*:1] CC1(C)CSC[C@@](C[NH3+])(C1)[NH2+][*:1]
CCc1nn2c(c1-c1ccc(C)cc1)NC(=O)[C@@H]2CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 Cc1ccc(cc1[N+](=O)[O-])[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)N[*:1])c1-c1ccc(C)cc1
CCc1nn2c(c1-c1ccc(C)cc1)NC(=O)[C@@H]2CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 Cc1ccc(cc1)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2ccc(C)c(c2)[N+](=O)[O-])c1[*:1]
CCc1nn2c(c1-c1ccc(C)cc1)NC(=O)[C@@H]2CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2ccc(C)c(c2)[*:1])c1-c1ccc(C)cc1
CC(C)C(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 CC(C)C(=O)N[*:1] CC(C)(C)c1cc(n(n1)[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)C(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)C(=O)Nc1cc(nn1[*:1])C(C)(C)C
CC(C)C(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] CC(C)(C)c1cc(NC(=O)[*:1])n(n1)[C@@H]1CCS(=O)(=O)C1
CC(C)C(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 CC(C)(C)[*:1] CC(C)C(=O)Nc1cc(nn1[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 CC(C)[*:1] O=C([C@@H]1CCCO1)N1CC[C@@](Cc2ccc(cc2)-c2cccs2)(C1)C(=O)N[*:1]
CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 CC(C)NC(=O)[*:1] O=C([C@@H]1CCCO1)N1CC[C@](Cc2ccc(cc2)-c2cccs2)(C1)[*:1]
CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 c1csc(c1)[*:1] CC(C)NC(=O)[C@]1(CCN(C1)C(=O)[C@@H]1CCCO1)Cc1ccc(cc1)[*:1]
CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] CC(C)NC(=O)[C@]1(CCN(C1)C(=O)[*:1])Cc1ccc(cc1)-c1cccs1
COC(=O)Cc1nc2c(=O)[nH]c(N)nc2[nH]1 COC(=O)[*:1] Nc1nc2[nH]c(C[*:1])nc2c(=O)[nH]1
COC(=O)Cc1nc2c(=O)[nH]c(N)nc2[nH]1 COC(=O)C[*:1] Nc1nc2[nH]c(nc2c(=O)[nH]1)[*:1]
CCN(CC)C(=O)[C@H](C)S[C@H](C)C(=O)[O-] O=C([O-])[*:1] CCN(CC)C(=O)[C@H](C)S[C@H](C)[*:1]
COc1ccc(Br)cc1-c1nc(C)c(C(C)=O)n1[O-] CC(=O)[*:1] COc1ccc(Br)cc1-c1nc(C)c(n1[O-])[*:1]
C[C@H]1CN(C(=O)c2cccc(Nc3cnn(C)c3)c2)c2ccccc2O1 Cn1cc(cn1)N[*:1] C[C@H]1CN(C(=O)c2cccc(c2)[*:1])c2ccccc2O1
C[C@H]1CN(C(=O)c2cccc(Nc3cnn(C)c3)c2)c2ccccc2O1 Cn1cc(cn1)[*:1] C[C@H]1CN(C(=O)c2cccc(c2)N[*:1])c2ccccc2O1
COCCN(C(C)=O)c1nc(CN(C)OC)cs1 COC[*:1] CON(C)Cc1csc(n1)N(C[*:1])C(C)=O
COCCN(C(C)=O)c1nc(CN(C)OC)cs1 CON(C)[*:1] COCCN(C(C)=O)c1nc(cs1)C[*:1]
COCCN(C(C)=O)c1nc(CN(C)OC)cs1 CON(C)C[*:1] COCCN(C(C)=O)c1nc(cs1)[*:1]
COCCN(C(C)=O)c1nc(CN(C)OC)cs1 COCC[*:1] CON(C)Cc1csc(n1)N(C(C)=O)[*:1]
O=C1c2ccccc2-c2nn(C[C@H](O)COCc3ccc4c(c3)OCO4)c3cccc1c23 c1cc2OCOc2cc1[*:1] O=C1c2ccccc2-c2nn(C[C@H](O)COC[*:1])c3cccc1c23
O=C1c2ccccc2-c2nn(C[C@H](O)COCc3ccc4c(c3)OCO4)c3cccc1c23 c1cc2OCOc2cc1C[*:1] O=C1c2ccccc2-c2nn(C[C@H](O)CO[*:1])c3cccc1c23
CC(C)(C)c1ccc(NC(=O)N(CCO)C2CC2)cc1 OCC[*:1] CC(C)(C)c1ccc(cc1)NC(=O)N(C1CC1)[*:1]
CC(C)(C)c1ccc(NC(=O)N(CCO)C2CC2)cc1 C1CC1[*:1] CC(C)(C)c1ccc(cc1)NC(=O)N(CCO)[*:1]
CC(C)(C)c1ccc(NC(=O)N(CCO)C2CC2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)[*:1])N(CCO)C1CC1
CC(C)Cn1cc(NC(=O)C(=O)Nc2ccc([S@@](C)=O)c(F)c2)cn1 CC(C)[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)C(=O)Nc1cnn(c1)C[*:1]
CC(C)Cn1cc(NC(=O)C(=O)Nc2ccc([S@@](C)=O)c(F)c2)cn1 CC(C)C[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)C(=O)Nc1cnn(c1)[*:1]
CN(C)C1([C@H]([NH3+])[C@H]2CCOC3(CCC3)C2)CCCCC1 CN(C)[*:1] [NH3+][C@H]([C@H]1CCOC2(CCC2)C1)C1(CCCCC1)[*:1]
C[C@H](N[C@H](C)C(=O)N1CCOCC1)c1ccc(Oc2ccccc2)c(F)c1 O=C(N1CCOCC1)[*:1] C[C@H](N[C@H](C)[*:1])c1ccc(Oc2ccccc2)c(F)c1
C[C@H](N[C@H](C)C(=O)N1CCOCC1)c1ccc(Oc2ccccc2)c(F)c1 c1ccc(cc1)O[*:1] C[C@H](N[C@H](C)C(=O)N1CCOCC1)c1ccc(c(F)c1)[*:1]
C[C@H](N[C@H](C)C(=O)N1CCOCC1)c1ccc(Oc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] C[C@H](N[C@H](C)C(=O)N1CCOCC1)c1ccc(O[*:1])c(F)c1
Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(c1)[*:1]
Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[*:1])c(c1)[N+](=O)[O-]
CCN(c1ccc(/C(N)=N/O)cc1)C1CC1 C1CC1[*:1] CCN(c1ccc(cc1)/C(N)=N/O)[*:1]
CCN(c1ccc(/C(N)=N/O)cc1)C1CC1 N/C(=N\O)[*:1] CCN(c1ccc(cc1)[*:1])C1CC1
C/C(=C\c1ccc(OC(F)(F)F)cc1)C[NH2+]CC(C)C CC(C)C[*:1] C/C(=C\c1ccc(cc1)OC(F)(F)F)C[NH2+][*:1]
C/C(=C\c1ccc(OC(F)(F)F)cc1)C[NH2+]CC(C)C FC(F)(F)O[*:1] C/C(=C\c1ccc(cc1)[*:1])C[NH2+]CC(C)C
C/C(=C\c1ccc(OC(F)(F)F)cc1)C[NH2+]CC(C)C CC(C)[*:1] C/C(=C\c1ccc(cc1)OC(F)(F)F)C[NH2+]C[*:1]
C/C(=C\c1ccc(OC(F)(F)F)cc1)C[NH2+]CC(C)C FC(F)(F)[*:1] C/C(=C\c1ccc(cc1)O[*:1])C[NH2+]CC(C)C
CC[C@@H](Br)CCc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CC[C@@H](Br)CCc1nc(cs1)[*:1]
CC[C@@H](Br)CCc1nc(C(C)(C)C)cs1 CC[C@@H](Br)C[*:1] CC(C)(C)c1csc(C[*:1])n1
CC[C@@H](Br)CCc1nc(C(C)(C)C)cs1 CC[C@@H](Br)[*:1] CC(C)(C)c1csc(CC[*:1])n1
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)C(=O)NNC(=O)[C@@H](C)O[*:1]
CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 CCO[*:1] O=S(=O)(N/N=C/c1ccc(cc1)[*:1])c1ccc(Cl)cc1
CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(/C=N/NS(=O)(=O)[*:1])cc1
C[C@H](COc1ccc(F)cc1F)NC(=O)N1c2ccccc2C[C@H]1C Fc1ccc(c(F)c1)[*:1] C[C@H](CO[*:1])NC(=O)N1c2ccccc2C[C@H]1C
COC(=O)C1(NCc2cnc3ccccn23)CCCC1 COC(=O)[*:1] c1ccn2c(cnc2c1)CNC1(CCCC1)[*:1]
CCCn1nccc1CNc1ccccc1C(F)(F)F CCC[*:1] FC(F)(F)c1ccccc1NCc1ccnn1[*:1]
CCCn1nccc1CNc1ccccc1C(F)(F)F FC(F)(F)[*:1] CCCn1nccc1CNc1ccccc1[*:1]
Cc1ccc(OCc2cccc(C(=O)NC(C3CC3)C3CC3)c2)cn1 C1CC1[*:1] Cc1ccc(cn1)OCc1cccc(c1)C(=O)NC(C1CC1)[*:1]
Cc1ccc(OCc2cccc(C(=O)NC(C3CC3)C3CC3)c2)cn1 Cc1ccc(cn1)O[*:1] O=C(NC(C1CC1)C1CC1)c1cccc(c1)C[*:1]
Cc1ccc(OCc2cccc(C(=O)NC(C3CC3)C3CC3)c2)cn1 C1CC1C(C1CC1)[*:1] Cc1ccc(cn1)OCc1cccc(c1)C(=O)N[*:1]
Cc1ccc(OCc2cccc(C(=O)NC(C3CC3)C3CC3)c2)cn1 Cc1ccc(cn1)[*:1] O=C(NC(C1CC1)C1CC1)c1cccc(c1)CO[*:1]
CCOC(=O)/C=C/COc1ccc(F)cc1Br CCOC(=O)[*:1] Fc1ccc(OCC=C[*:1])c(Br)c1
COC(=O)c1cccc(CN2C(=O)S[C@H](Nc3cccc4ccccc34)C2=O)c1 COC(=O)[*:1] O=C1S[C@H](Nc2cccc3ccccc23)C(=O)N1Cc1cccc(c1)[*:1]
CC[C@@H](NC(=O)N(C)Cc1ccccc1F)c1c(C)nn(C)c1C Fc1ccccc1[*:1] CC[C@@H](NC(=O)N(C)C[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)N(C)Cc1ccccc1F)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)N(C)Cc1ccccc1F)[*:1]
CC[C@@H](NC(=O)N(C)Cc1ccccc1F)c1c(C)nn(C)c1C Fc1ccccc1C[*:1] CC[C@@H](NC(=O)N(C)[*:1])c1c(C)nn(C)c1C
CONC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] CONC(=O)N[C@@H](c1ccc2OCCOc2c1)[*:1]
CONC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 CONC(=O)N[*:1] c1cc2OCCOc2cc1[C@@H](C1CC1)[*:1]
O=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc2c(c1)CCC2 Fc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])C(=O)Nc1ccc2CCCc2c1
O=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] O=C(NCC1(CCOCC1)c1ccc(F)cc1)C(=O)N[*:1]
CC(C)(C)Oc1ccc([C@@H]([NH3+])CO)cc1 CC(C)(C)[*:1] [NH3+][C@@H](CO)c1ccc(cc1)O[*:1]
CC(C)(C)Oc1ccc([C@@H]([NH3+])CO)cc1 CC(C)(C)O[*:1] [NH3+][C@@H](CO)c1ccc(cc1)[*:1]
Cc1[nH+]cn(C[C@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)c1C FC(F)(F)[*:1] Cc1[nH+]cn(C[C@H](C)[NH2+]Cc2ccc(cc2)[*:1])c1C
Cn1c(SCc2cn3ccccc3n2)nnc1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCc1cn2ccccc2n1
Cc1ccc(NC(=O)NCCCSCc2ccco2)cc1C c1coc(c1)CS[*:1] Cc1ccc(cc1C)NC(=O)NCCC[*:1]
Cc1ccc(NC(=O)NCCCSCc2ccco2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)NC(=O)NCCCSC[*:1]
Cc1ccc(NC(=O)NCCCSCc2ccco2)cc1C c1coc(c1)C[*:1] Cc1ccc(cc1C)NC(=O)NCCCS[*:1]
CNC(=O)ON/C(C)=C1/CCCC[C@@H]1C(=O)OC COC(=O)[*:1] CNC(=O)ON/C(C)=C1/CCCC[C@H]1[*:1]
CNC(=O)ON/C(C)=C1/CCCC[C@@H]1C(=O)OC CNC(=O)ON[*:1] COC(=O)[C@H]1CCCCC1=C(C)[*:1]
COc1ccccc1[C@@H](C)NCc1c(C(C)C)[nH+]n(C)c1N(C)C CN(C)[*:1] COc1ccccc1[C@@H](C)NCc1c([nH+]n(C)c1[*:1])C(C)C
COc1ccccc1[C@@H](C)NCc1c(C(C)C)[nH+]n(C)c1N(C)C COc1ccccc1[*:1] CC(C)c1[nH+]n(C)c(c1CN[C@H](C)[*:1])N(C)C
COc1ccccc1[C@@H](C)NCc1c(C(C)C)[nH+]n(C)c1N(C)C CC(C)[*:1] COc1ccccc1[C@@H](C)NCc1c([nH+]n(C)c1N(C)C)[*:1]
CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1c2OCN(Cc3cccs3)Cc2cc2C(=O)C(=C[*:1])Oc21
CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)cc1 CCO[*:1] Cc1c2OCN(Cc3cccs3)Cc2cc2C(=O)/C(=C/c3ccc(cc3)[*:1])Oc21
CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)cc1 c1csc(c1)C[*:1] CCOc1ccc(/C=C2\Oc3c(cc4CN(COc4c3C)[*:1])C2=O)cc1
CCOc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)cc1 c1csc(c1)[*:1] CCOc1ccc(/C=C2\Oc3c(cc4CN(COc4c3C)C[*:1])C2=O)cc1
O=C(NCc1ccccn1)Nc1ccccc1Cl c1ccc(nc1)[*:1] O=C(NC[*:1])Nc1ccccc1Cl
Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)[O-])[C@H](C)c1ccccc1 Cc1c(Cl)cccc1[*:1] C[C@H](c1ccccc1)[C@H](CC(=O)N[*:1])C(=O)[O-]
Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)[O-])[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)[O-])[*:1]
Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)[O-])[C@H](C)c1ccccc1 O=C([O-])[*:1] Cc1c(Cl)cccc1NC(=O)C[C@H]([C@H](C)c1ccccc1)[*:1]
Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)[O-])[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)[O-])[C@H](C)[*:1]
CCNc1c(C(=O)N2CC[C@H](C)C2)cccc1C(F)(F)F FC(F)(F)[*:1] CCNc1c(cccc1[*:1])C(=O)N1CC[C@H](C)C1
CCNc1c(C(=O)N2CC[C@H](C)C2)cccc1C(F)(F)F CCN[*:1] C[C@H]1CCN(C1)C(=O)c1cccc(c1[*:1])C(F)(F)F
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cnc(-c2ccccc2)nc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cnc(nc1)[*:1]
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cnc(-c2ccccc2)nc1 CCN(CC)C(=O)[*:1] [NH3+][C@@H]1C[C@H](N(C1)C(=O)c1cnc(nc1)-c1ccccc1)[*:1]
CC(=O)N1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 c1ccc(cc1)N[*:1] CC(=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
CC(=O)N1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)c1ccccc1N[*:1]
CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)CN1CCCCC1=O c1ccc(cc1)O[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)CN1CCCCC1=O
CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)CN1CCCCC1=O c1ccc(cc1)[*:1] CN(Cc1ccc(cc1)O[*:1])C(=O)CN1CCCCC1=O
CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)CN1CCCCC1=O O=C1CCCCN1[*:1] CN(Cc1ccc(cc1)Oc1ccccc1)C(=O)C[*:1]
CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)CN1CCCCC1=O O=C1CCCCN1C[*:1] CN(Cc1ccc(cc1)Oc1ccccc1)C(=O)[*:1]
C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)NC1CCCCC1 Fc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1[*:1])C(=O)NC1CCCCC1
C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)[*:1]
C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)N[*:1]
C[C@H]1CC[C@H](C(=O)O[C@@H](C2CCCCC2)C(F)(F)F)O1 FC(F)(F)[*:1] C[C@H]1CC[C@@H](O1)C(=O)O[C@@H](C1CCCCC1)[*:1]
C[C@H]1CC[C@H](C(=O)O[C@@H](C2CCCCC2)C(F)(F)F)O1 C1CCC(CC1)[*:1] C[C@H]1CC[C@@H](O1)C(=O)O[C@@H](C(F)(F)F)[*:1]
Cc1cc(F)cc(N[C@@]2(C(N)=O)CS[C@H](C)C2)c1 NC(=O)[*:1] Cc1cc(F)cc(c1)N[C@]1(CS[C@H](C)C1)[*:1]
C#CC[C@H](NC(=O)c1cc(F)ccc1O)C(N)=O C#CC[*:1] NC(=O)[C@@H](NC(=O)c1cc(F)ccc1O)[*:1]
C#CC[C@H](NC(=O)c1cc(F)ccc1O)C(N)=O NC(=O)[*:1] C#CC[C@H](NC(=O)c1cc(F)ccc1O)[*:1]
CCC[C@@H]([NH2+]Cc1ccco1)C(=O)NN CCC[*:1] NNC(=O)[C@H]([NH2+]Cc1ccco1)[*:1]
CCC[C@@H]([NH2+]Cc1ccco1)C(=O)NN c1coc(c1)[*:1] CCC[C@@H]([NH2+]C[*:1])C(=O)NN
CCC[C@@H]([NH2+]Cc1ccco1)C(=O)NN NNC(=O)[*:1] CCC[C@@H]([NH2+]Cc1ccco1)[*:1]
CCC[C@@H](C)N(C)C(=O)c1ccc(C)cc1N CCC[C@@H](C)[*:1] Cc1ccc(C(=O)N(C)[*:1])c(N)c1
CCC[C@@H](C)N(C)C(=O)c1ccc(C)cc1N CCC[*:1] Cc1ccc(C(=O)N(C)[C@H](C)[*:1])c(N)c1
Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N(C)CCC#N)n1 N#CC[*:1] Cc1cc(C)c(C#N)c(n1)S[C@H](C)C(=O)N(C)C[*:1]
Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N(C)CCC#N)n1 N#CCC[*:1] Cc1cc(C)c(C#N)c(n1)S[C@H](C)C(=O)N(C)[*:1]
Cc1ccc(CC(=O)N[C@H](CO)c2ccccc2F)cn1 Cc1ccc(cn1)[*:1] O=C(C[*:1])N[C@H](CO)c1ccccc1F
Cc1ccc(CC(=O)N[C@H](CO)c2ccccc2F)cn1 Fc1ccccc1[*:1] Cc1ccc(cn1)CC(=O)N[C@H](CO)[*:1]
C[NH+](CCCc1ccccc1)C1CCC([NH3+])CC1 c1ccc(cc1)[*:1] C[NH+](CCC[*:1])C1CCC([NH3+])CC1
COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccc2F)cc1O COc1ccc(cc1O)[*:1] Fc1ccccc1-n1ncc2c1CCC[C@@H]2[NH2+]C[*:1]
COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccc2F)cc1O Fc1ccccc1[*:1] COc1ccc(cc1O)C[NH2+][C@H]1CCCc2c1cnn2[*:1]
COc1ccc([S@@](=O)[C@@H](C)C(N)=O)cc1OC NC(=O)[*:1] COc1ccc(cc1OC)[S@@](=O)[C@@H](C)[*:1]
COc1ccc([S@@](=O)[C@@H](C)C(N)=O)cc1OC C[C@@H](C(N)=O)[*:1] COc1ccc(cc1OC)[S@@](=O)[*:1]
COc1ccccc1[C@]1(C[NH2+]C(C)C)CCC[C@@H]1C CC(C)[*:1] COc1ccccc1[C@@]1(CCC[C@@H]1C)C[NH2+][*:1]
Cc1ccc(S(=O)(=O)CCC(=O)Nc2nnc([C@H]3CCCO3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1nnc(o1)[C@H]1CCCO1
CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)ccc1Cl CN(C)S(=O)(=O)[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)OCC(=O)Nc1ccc(Cl)c(c1)[*:1]
CCc1ccc(CN(C(=O)c2cnns2)C2CC2)cc1 c1nnsc1[*:1] CCc1ccc(cc1)CN(C(=O)[*:1])C1CC1
CCc1ccc(CN(C(=O)c2cnns2)C2CC2)cc1 C1CC1[*:1] CCc1ccc(cc1)CN(C(=O)c1cnns1)[*:1]
CCCNC(=O)Nc1cccc(OCc2nnc(C)n2C2CC2)c1 C1CC1[*:1] CCCNC(=O)Nc1cccc(c1)OCc1nnc(C)n1[*:1]
CCCNC(=O)Nc1cccc(OCc2nnc(C)n2C2CC2)c1 CCC[*:1] Cc1nnc(COc2cccc(c2)NC(=O)N[*:1])n1C1CC1
CCCNC(=O)Nc1cccc(OCc2nnc(C)n2C2CC2)c1 CCCNC(=O)N[*:1] Cc1nnc(COc2cccc(c2)[*:1])n1C1CC1
CC(C)(C)Oc1cc(CNC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])N1CC[C@@H]2OCCC[C@@H]2C1
CC(C)(C)Oc1cc(CNC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])N1CC[C@@H]2OCCC[C@@H]2C1
C=CCS(=O)(=O)/N=C(\[O-])[C@@H](C)OC CO[C@H](C)[*:1] C=CCS(=O)(=O)/N=C(\[O-])[*:1]
C=CCS(=O)(=O)/N=C(\[O-])[C@@H](C)OC C=CC[*:1] CO[C@H](C)/C([O-])=N/S(=O)(=O)[*:1]
Cc1nc(SCC(=O)NNC(=O)c2ccccc2)sc1CC(N)=O NC(=O)C[*:1] Cc1nc(SCC(=O)NNC(=O)c2ccccc2)sc1[*:1]
Cc1nc(SCC(=O)NNC(=O)c2ccccc2)sc1CC(N)=O c1ccc(cc1)[*:1] Cc1nc(SCC(=O)NNC(=O)[*:1])sc1CC(N)=O
Cc1nc(SCC(=O)NNC(=O)c2ccccc2)sc1CC(N)=O NC(=O)[*:1] Cc1nc(SCC(=O)NNC(=O)c2ccccc2)sc1C[*:1]
CC(C)[C@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 CC(C)[*:1] C[C@H](NC(=O)c1cccc(c1)NC(=O)c1cccs1)[*:1]
CC(C)[C@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 CC(C)[C@H](C)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1cccs1
CC(C)[C@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] CC(C)[C@H](C)NC(=O)c1cccc(c1)NC(=O)[*:1]
COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)ccc1OC(C)C O=[N+]([O-])[*:1] COc1cc(ccc1OC(C)C)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1cc(OC)c([O-])c(c1)[*:1]
COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1cc(OC)c([O-])c(c1)[N+](=O)[O-]
COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)ccc1OC(C)C COc1cc(ccc1OC(C)C)[*:1] COc1cc(cc(c1[O-])[N+](=O)[O-])[C@H]1CC(=O)NC2C[C@H](CC(=O)C=21)[*:1]
COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1cc(OC)c([O-])c(c1)[N+](=O)[O-]
O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 c1csc(c1)[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C1)c1nnc(o1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 Clc1ccc(cc1)[*:1] O=C(N1CCC[C@@H](C1)c1nnc(o1)-c1cccs1)[*:1]
O=C([C@@H]1COc2ccccc2O1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 Fc1ccc(cc1)[*:1] O=C([C@@H]1COc2ccccc2O1)N1CCC(CC1)c1nnc(o1)[*:1]
CCN(Cc1cccs1)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCN(Cc1cccs1)CN1C(=O)N[C@](CC)(C1=O)[*:1]
CCN(Cc1cccs1)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O c1csc(c1)C[*:1] CCN(CN1C(=O)N[C@@](CC)(C1=O)c1ccccc1)[*:1]
CCN(Cc1cccs1)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O c1csc(c1)[*:1] CCN(CN1C(=O)N[C@@](CC)(C1=O)c1ccccc1)C[*:1]
CC(C)N[C@]1(C#N)CCC[C@@H](n2cc(Cl)cn2)C1 CC(C)[*:1] N#C[C@]1(CCC[C@H](C1)n1cc(Cl)cn1)N[*:1]
CC(C)N[C@]1(C#N)CCC[C@@H](n2cc(Cl)cn2)C1 Clc1cnn(c1)[*:1] CC(C)N[C@]1(C#N)CCC[C@@H](C1)[*:1]
CC(C)N[C@]1(C#N)CCC[C@@H](n2cc(Cl)cn2)C1 CC(C)N[*:1] N#C[C@@]1(CCC[C@H](C1)n1cc(Cl)cn1)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 CCC[*:1] C[C@@H](NC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1cc(F)cc(F)c1)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 Fc1cc(F)cc(c1)[*:1] CCC[C@@H](C)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 CCC[C@@H](C)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1cc(F)cc(F)c1
CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 CCC[C@@H](C)NC(=O)[*:1] O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H](C1)[*:1]
CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(NC(=O)c2ccc(Br)cc2)c1 CCOC(=O)[*:1] CC1=C([C@@H](NC(=S)N1C)c1cccc(c1)NC(=O)c1ccc(Br)cc1)[*:1]
CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(NC(=O)c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(c1)NC(=O)[*:1]
CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(NC(=O)c2ccc(Br)cc2)c1 O=C(N[*:1])c1ccc(Br)cc1 CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(c1)[*:1]
CCOc1ccc(/N=C(/N[C@H]2C=C(c3ccc(Cl)cc3)N=N2)SC)cc1 CCO[*:1] CS/C(=N\c1ccc(cc1)[*:1])N[C@H]1C=C(N=N1)c1ccc(Cl)cc1
CCOc1ccc(/N=C(/N[C@H]2C=C(c3ccc(Cl)cc3)N=N2)SC)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)/N=C(/N[C@H]1C=C(N=N1)[*:1])SC
Cc1noc([C@@H](C)OC(=O)c2sc(C)nc2C)n1 Cc1noc(n1)[*:1] Cc1nc(C)c(s1)C(=O)O[C@H](C)[*:1]
COc1ccc(NC(=O)C(=O)NC(C2CC2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)NC(=O)C(=O)NC(C1CC1)[*:1]
COc1ccc(NC(=O)C(=O)NC(C2CC2)C2CC2)cc1 C1CC1C(C1CC1)[*:1] COc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] CC[C@H](C)[*:1] Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])[*:1])c(C)c2oc1=O
CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)[*:1]
CC(C)[NH+]1CCC(CNC(=O)NC2CC2)CC1 CC(C)[*:1] O=C(NCC1CC[NH+](CC1)[*:1])NC1CC1
CC(C)[NH+]1CCC(CNC(=O)NC2CC2)CC1 C1CC1[*:1] CC(C)[NH+]1CCC(CC1)CNC(=O)N[*:1]
CC(=O)NCCNC(=O)C[NH+](C)CC(=O)[O-] CC(=O)NC[*:1] C[NH+](CC(=O)[O-])CC(=O)NC[*:1]
CC(=O)NCCNC(=O)C[NH+](C)CC(=O)[O-] O=C([O-])[*:1] CC(=O)NCCNC(=O)C[NH+](C)C[*:1]
CC(=O)NCCNC(=O)C[NH+](C)CC(=O)[O-] CC(=O)N[*:1] C[NH+](CC(=O)[O-])CC(=O)NCC[*:1]
Cc1ccc(Nc2nc3c(c(OCC(=O)[O-])n2)C[NH+](Cc2ccccc2)CC3)cc1F Cc1ccc(cc1F)N[*:1] O=C([O-])COc1nc(nc2CC[NH+](Cc3ccccc3)Cc21)[*:1]
Cc1ccc(Nc2nc3c(c(OCC(=O)[O-])n2)C[NH+](Cc2ccccc2)CC3)cc1F O=C([O-])C[*:1] Cc1ccc(cc1F)Nc1nc2CC[NH+](Cc3ccccc3)Cc2c(n1)O[*:1]
Cc1ccc(Nc2nc3c(c(OCC(=O)[O-])n2)C[NH+](Cc2ccccc2)CC3)cc1F Cc1ccc(cc1F)[*:1] O=C([O-])COc1nc(nc2CC[NH+](Cc3ccccc3)Cc21)N[*:1]
Cc1ccc(Nc2nc3c(c(OCC(=O)[O-])n2)C[NH+](Cc2ccccc2)CC3)cc1F c1ccc(cc1)C[*:1] Cc1ccc(cc1F)Nc1nc2CC[NH+](Cc2c(n1)OCC(=O)[O-])[*:1]
Cc1ccc(Nc2nc3c(c(OCC(=O)[O-])n2)C[NH+](Cc2ccccc2)CC3)cc1F O=C([O-])CO[*:1] Cc1ccc(cc1F)Nc1nc2CC[NH+](Cc3ccccc3)Cc2c(n1)[*:1]
Cc1ccc(Nc2nc3c(c(OCC(=O)[O-])n2)C[NH+](Cc2ccccc2)CC3)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)Nc1nc2CC[NH+](Cc2c(n1)OCC(=O)[O-])C[*:1]
Cc1ccc(Nc2nc3c(c(OCC(=O)[O-])n2)C[NH+](Cc2ccccc2)CC3)cc1F O=C([O-])[*:1] Cc1ccc(cc1F)Nc1nc2CC[NH+](Cc3ccccc3)Cc2c(n1)OC[*:1]
Cc1cc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)n(C(C)C)n1 CC(C)[*:1] Cc1cc(C(=O)Nc2nc3cc4OCOc4cc3s2)n(n1)[*:1]
C[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(O)c1)Cn1cccn1 c1cnn(c1)[*:1] C[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(O)c1)C[*:1]
C[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(O)c1)Cn1cccn1 Oc1cccc(c1)[*:1] C[C@@H](CNC(=O)N(C)[C@H](C)[*:1])Cn1cccn1
C[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(O)c1)Cn1cccn1 c1cnn(c1)C[*:1] C[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(O)c1)[*:1]
CCC(CC)c1cc(CNC(=O)c2cnccn2)on1 CCC(CC)[*:1] O=C(NCc1cc(no1)[*:1])c1cnccn1
CCC(CC)c1cc(CNC(=O)c2cnccn2)on1 c1cnc(cn1)[*:1] CCC(CC)c1cc(CNC(=O)[*:1])on1
CCc1noc(C)c1CNc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] CCc1noc(C)c1CNc1ccc(cc1)[*:1]
CSCC(=O)NNC(=O)c1ccc(Cn2ccccc2=O)o1 O=c1ccccn1[*:1] CSCC(=O)NNC(=O)c1ccc(C[*:1])o1
CSCC(=O)NNC(=O)c1ccc(Cn2ccccc2=O)o1 CSC[*:1] O=C(NNC(=O)[*:1])c1ccc(Cn2ccccc2=O)o1
CCC[C@H](COC)[NH2+]Cc1cc(F)c([O-])c(F)c1 COC[*:1] CCC[C@H]([NH2+]Cc1cc(F)c([O-])c(F)c1)[*:1]
CCC[C@H](COC)[NH2+]Cc1cc(F)c([O-])c(F)c1 CCC[*:1] COC[C@H]([NH2+]Cc1cc(F)c([O-])c(F)c1)[*:1]
CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)NNC(=O)c1ccoc1C)[C@H]2C(=O)[O-] Cc1occc1[*:1] CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)NNC(=O)[*:1])[C@H]2C(=O)[O-]
CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)NNC(=O)c1ccoc1C)[C@H]2C(=O)[O-] O=C([O-])[*:1] CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)NNC(=O)c1ccoc1C)[C@@H]2[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1nnc(s1)C1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nnc(s1)C(=O)N[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 CC(=O)[*:1] O=C(Nc1ccccc1)c1nnc(s1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 O=C(Nc1ccccc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nnc(s1)[*:1]
COC(=O)[C@H]1C(=O)c2c([nH]c(C(=O)O[C@@H]3CCC[C@@H]3C)c2C)C[C@@H]1C C[C@H]1CCC[C@H]1[*:1] COC(=O)[C@H]1C(=O)c2c(C[C@@H]1C)[nH]c(C(=O)O[*:1])c2C
COC(=O)[C@H]1C(=O)c2c([nH]c(C(=O)O[C@@H]3CCC[C@@H]3C)c2C)C[C@@H]1C COC(=O)[*:1] Cc1c([nH]c2C[C@H](C)[C@H](C(=O)c21)[*:1])C(=O)O[C@@H]1CCC[C@@H]1C
O=C(OCc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1Cl c1ccc(cc1)[*:1] O=C(OCc1nnc(o1)[*:1])c1cccc(Cl)c1Cl
COC(=O)CC[NH+]1[C@H](C)CCC[C@H]1C COC(=O)[*:1] C[C@@H]1CCC[C@@H](C)[NH+]1CC[*:1]
Cc1ccc(C(=O)NNC(=O)N2CCN(Cc3cccs3)CC2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)C(=O)NNC(=O)N1CCN(CC1)C[*:1]
Cc1ccc(C(=O)NNC(=O)N2CCN(Cc3cccs3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])N1CCN(CC1)Cc1cccs1
Cc1ccc(C(=O)NNC(=O)N2CCN(Cc3cccs3)CC2)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)C(=O)NNC(=O)N1CCN(CC1)[*:1]
CC/C=C(\C)C(=O)Nc1ccc(C(=O)OCC)cc1 CCOC(=O)[*:1] CC/C=C(\C)C(=O)Nc1ccc(cc1)[*:1]
CC/C=C(\C)C(=O)Nc1ccc(C(=O)OCC)cc1 CCC=C(C)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1cccc(CNC(=O)c2cc(C)n(CC[NH+](C)C)c2C)c1 COc1cccc(c1)[*:1] Cc1cc(C(=O)NC[*:1])c(C)n1CC[NH+](C)C
Cc1n[nH]c(/N=C\C2=C([O-])CC(C)(C)CC2=O)c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1n[nH]c(/N=C\C2C(=O)CC(C)(C)CC=2[O-])c1[*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Sc2cccc(Br)c2)C1 CC(C)[*:1] O=C([O-])[C@@]1(CC[C@H](C1)Sc1cccc(Br)c1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@@H](Sc2cccc(Br)c2)C1 O=C([O-])[*:1] CC(C)[NH2+][C@]1(CC[C@H](C1)Sc1cccc(Br)c1)[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)N(CCO)[C@@H]1CCc2ccccc21 OCC[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)N([C@@H]1CCc2ccccc21)[*:1]
CC(C)c1nc(CN2CC[C@H]([NH3+])C2)cc(=O)[nH]1 CC(C)[*:1] [NH3+][C@H]1CCN(Cc2cc(=O)[nH]c(n2)[*:1])C1
C[C@H](O/N=C(/N)[C@@H]1CCOC1)c1ncc(C(C)(C)C)o1 CC(C)(C)[*:1] C[C@H](O/N=C(/N)[C@@H]1CCOC1)c1ncc(o1)[*:1]
C[C@H](O/N=C(/N)[C@@H]1CCOC1)c1ncc(C(C)(C)C)o1 C1C[C@H](CO1)[*:1] C[C@H](O/N=C(/N)[*:1])c1ncc(o1)C(C)(C)C
CCCn1nnnc1CS(=O)(=O)c1nnc(C)n1-c1ccccc1C CCCn1nnnc1[*:1] Cc1ccccc1-n1c(C)nnc1S(=O)(=O)C[*:1]
CCCn1nnnc1CS(=O)(=O)c1nnc(C)n1-c1ccccc1C Cc1ccccc1[*:1] CCCn1nnnc1CS(=O)(=O)c1nnc(C)n1[*:1]
CCCn1nnnc1CS(=O)(=O)c1nnc(C)n1-c1ccccc1C CCC[*:1] Cc1ccccc1-n1c(C)nnc1S(=O)(=O)Cc1nnnn1[*:1]
COC(=O)c1nc(-n2cccc2)sc1C(=O)c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)C(=O)c1sc(nc1[*:1])-n1cccc1
COC(=O)c1nc(-n2cccc2)sc1C(=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)c1nc(sc1C(=O)[*:1])-n1cccc1
COC(=O)c1nc(-n2cccc2)sc1C(=O)c1ccc(OC)cc1 c1ccn(c1)[*:1] COC(=O)c1nc(sc1C(=O)c1ccc(cc1)OC)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](O[*:1])C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1
Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C Cc1ccc(cc1C)O[*:1] C[C@@H](C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@H](N[C@@H](C)[C@H](O)c1ccc(F)cc1)c1nc2cc(Cl)ccc2n1C Fc1ccc(cc1)[*:1] C[C@H](N[C@@H](C)[C@H](O)[*:1])c1nc2cc(Cl)ccc2n1C
Cc1csc([C@@H](C)NC(=O)Nc2c(C)cc(C)nc2Cl)n1 Cc1csc(n1)[*:1] Cc1cc(C)c(NC(=O)N[C@H](C)[*:1])c(Cl)n1
COCc1cc(-n2cnc(C(=O)[O-])c2)nc(-c2cccnc2)n1 COC[*:1] O=C([O-])c1cn(cn1)-c1cc(nc(n1)-c1cccnc1)[*:1]
COCc1cc(-n2cnc(C(=O)[O-])c2)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] COCc1cc(nc(n1)[*:1])-n1cnc(c1)C(=O)[O-]
COCc1cc(-n2cnc(C(=O)[O-])c2)nc(-c2cccnc2)n1 O=C([O-])[*:1] COCc1cc(nc(n1)-c1cccnc1)-n1cnc(c1)[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)c2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)Nc1nc(cs1)[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)c2)cc1 Cc1ccc(cc1)S(=O)(=O)N[*:1] O=C(Nc1nc(cs1)-c1ccc2OCOc2c1)c1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccc2OCOc2c1)c1cccc(c1)NS(=O)(=O)[*:1]
CCOC(=O)C1(C)CCN(C(=O)C2(CC(C)C)CCCC2)CC1 CC(C)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)C1(CCCC1)C[*:1]
CCOC(=O)C1(C)CCN(C(=O)C2(CC(C)C)CCCC2)CC1 CCOC(=O)[*:1] CC(C)CC1(CCCC1)C(=O)N1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)C2(CC(C)C)CCCC2)CC1 CC(C)C[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)C1(CCCC1)[*:1]
C=C1C=C([O-])N2C(=NC(N3CCc4ccccc43)=N[C@@H]2c2ccc(OC)cc2)N1 COc1ccc(cc1)[*:1] C=C1C=C([O-])N2C(=NC(=N[C@H]2[*:1])N2CCc3ccccc32)N1
Cc1cnn(-c2ccc(C(=O)NNC(=S)Nc3ccc(C)c(C)c3)cc2)c1 Cc1cnn(c1)[*:1] Cc1ccc(cc1C)NC(=S)NNC(=O)c1ccc(cc1)[*:1]
Cc1cnn(-c2ccc(C(=O)NNC(=S)Nc3ccc(C)c(C)c3)cc2)c1 Cc1ccc(cc1C)[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)NNC(=S)N[*:1]
CCO[C@@H]1C[C@H](NC(=O)NC2CC2)C12CCC2 C1CC1[*:1] CCO[C@@H]1C[C@H](NC(=O)N[*:1])C12CCC2
CCO[C@@H]1C[C@H](NC(=O)NC2CC2)C12CCC2 CCO[*:1] O=C(NC1CC1)N[C@H]1C[C@H](C12CCC2)[*:1]
O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)C1(CC1)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCN(CC1)c1ccc(F)cc1)[*:1]
O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCN(CC1)[*:1])C1(CC1)c1ccc(F)cc1
O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)C1(c2ccc(F)cc2)CC1 c1coc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCN(CC1)c1ccc(F)cc1)[*:1])C1(CC1)c1ccc(F)cc1
O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCN(CC1)c1ccc(F)cc1)C1(CC1)[*:1]
CC(=O)N[C@H](CC(=O)Nc1cccc2cnccc12)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Nc1cccc2cnccc12)[*:1]
CC(=O)N[C@H](CC(=O)Nc1cccc2cnccc12)c1ccccc1 CC(=O)N[*:1] O=C(C[C@H](c1ccccc1)[*:1])Nc1cccc2cnccc12
CCOc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 CCO[*:1] C[C@H](NC(=O)N[C@H](C)c1cccc(c1)[*:1])c1ccc2OCCOc2c1
CCOc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 CCOc1cccc(c1)[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])c1ccc2OCCOc2c1
Cc1nonc1CN(C)C(=O)c1cc(-c2cccs2)nn1C Cc1nonc1C[*:1] CN(C(=O)c1cc(nn1C)-c1cccs1)[*:1]
Cc1nonc1CN(C)C(=O)c1cc(-c2cccs2)nn1C Cc1nonc1[*:1] CN(C[*:1])C(=O)c1cc(nn1C)-c1cccs1
Cc1nonc1CN(C)C(=O)c1cc(-c2cccs2)nn1C c1csc(c1)[*:1] Cc1nonc1CN(C)C(=O)c1cc(nn1C)[*:1]
Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccccc1C(=O)Nc1ccc3c(c1)OCO3)C2=O c1cc2OCOc2cc1[*:1] Cc1ccc2C(=O)N(CCCC(=O)Nc3ccccc3C(=O)N[*:1])C(=O)c2c1
Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccccc1C(=O)Nc1ccc3c(c1)OCO3)C2=O O=C(Nc1ccc2OCOc2c1)[*:1] Cc1ccc2C(=O)N(CCCC(=O)Nc3ccccc3[*:1])C(=O)c2c1
Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccccc1C(=O)Nc1ccc3c(c1)OCO3)C2=O Cc1ccc2C(=O)N(C(=O)c2c1)[*:1] O=C(CCC[*:1])Nc1ccccc1C(=O)Nc1ccc2OCOc2c1
CCSc1nn(CC(=O)Nc2ccccc2F)c(N)c1S(=O)(=O)c1ccccc1 Fc1ccccc1[*:1] CCSc1nn(CC(=O)N[*:1])c(N)c1S(=O)(=O)c1ccccc1
CCSc1nn(CC(=O)Nc2ccccc2F)c(N)c1S(=O)(=O)c1ccccc1 O=S(=O)(c1ccccc1)[*:1] CCSc1nn(CC(=O)Nc2ccccc2F)c(N)c1[*:1]
CCSc1nn(CC(=O)Nc2ccccc2F)c(N)c1S(=O)(=O)c1ccccc1 CCS[*:1] Nc1c(c(nn1CC(=O)Nc1ccccc1F)[*:1])S(=O)(=O)c1ccccc1
CCSc1nn(CC(=O)Nc2ccccc2F)c(N)c1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCSc1nn(CC(=O)Nc2ccccc2F)c(N)c1S(=O)(=O)[*:1]
Cc1cccc(-n2c(NN)nc3sc4c(c3c2=O)CCC4)c1 Cc1cccc(c1)[*:1] NNc1nc2sc3CCCc3c2c(=O)n1[*:1]
COC(=O)C[C@H](c1ccccc1)c1cn(C)c2ccccc12 c1ccc(cc1)[*:1] COC(=O)C[C@H](c1cn(C)c2ccccc12)[*:1]
COC(=O)C[C@H](c1ccccc1)c1cn(C)c2ccccc12 COC(=O)C[*:1] Cn1cc(c2ccccc21)[C@@H](c1ccccc1)[*:1]
COC(=O)C[C@H](c1ccccc1)c1cn(C)c2ccccc12 COC(=O)[*:1] Cn1cc(c2ccccc21)[C@H](C[*:1])c1ccccc1
CCc1ccc(O)c(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1 CCc1ccc(O)c(c1)[*:1] O=C(N1CCC[C@H]1c1nc(n[nH]1)-c1ccccc1)[*:1]
CCc1ccc(O)c(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1 c1ccc(cc1)[*:1] CCc1ccc(O)c(c1)C(=O)N1CCC[C@H]1c1nc(n[nH]1)[*:1]
Cc1ccccc1NC(=O)N1CCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc23)CC1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)N1CCN(CC1)c1nnc(C)c2c(C)n(nc12)[*:1]
Cc1ccccc1NC(=O)N1CCN(c2nnc(C)c3c(C)n(-c4ccccc4)nc23)CC1 Cc1ccccc1[*:1] Cc1nnc(c2nn(-c3ccccc3)c(C)c12)N1CCN(CC1)C(=O)N[*:1]
CCC[NH2+][C@@H]1CCCCCC[C@H]1[S@@](=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCC[NH2+][C@@H]1CCCCCC[C@H]1[S@@](=O)[*:1]
CCC[NH2+][C@@H]1CCCCCC[C@H]1[S@@](=O)c1cccc(F)c1 CCC[*:1] O=[S@@](c1cccc(F)c1)[C@@H]1CCCCCC[C@H]1[NH2+][*:1]
CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1sc(CCOC)nc1C COC[*:1] CCc1nc2[C@H](CCCn2n1)[NH2+][C@@H](C)c1sc(C[*:1])nc1C
CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1sc(CCOC)nc1C COCC[*:1] CCc1nc2[C@H](CCCn2n1)[NH2+][C@@H](C)c1sc(nc1C)[*:1]
CC1=c2ccccc2=[NH+]C(=O)[C@@H]1Sc1nnc(N2CCOCC2)s1 C1CN(CCO1)[*:1] CC1=c2ccccc2=[NH+]C(=O)[C@@H]1Sc1nnc(s1)[*:1]
Cc1ccccc1S[C@@H](C(=O)NCCc1ncnn1C)c1ccccc1 Cc1ccccc1S[*:1] Cn1ncnc1CCNC(=O)[C@@H](c1ccccc1)[*:1]
Cc1ccccc1S[C@@H](C(=O)NCCc1ncnn1C)c1ccccc1 Cn1ncnc1C[*:1] Cc1ccccc1S[C@@H](C(=O)NC[*:1])c1ccccc1
Cc1ccccc1S[C@@H](C(=O)NCCc1ncnn1C)c1ccccc1 Cc1ccccc1[*:1] Cn1ncnc1CCNC(=O)[C@H](S[*:1])c1ccccc1
Cc1ccccc1S[C@@H](C(=O)NCCc1ncnn1C)c1ccccc1 Cn1ncnc1CC[*:1] Cc1ccccc1S[C@@H](C(=O)N[*:1])c1ccccc1
Cc1ccccc1S[C@@H](C(=O)NCCc1ncnn1C)c1ccccc1 Cn1ncnc1[*:1] Cc1ccccc1S[C@@H](C(=O)NCC[*:1])c1ccccc1
Cc1ccccc1S[C@@H](C(=O)NCCc1ncnn1C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1S[C@@H](C(=O)NCCc1ncnn1C)[*:1]
Cc1c(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cnn1C(C)C Cc1c(cnn1C(C)C)[*:1] C[C@H]1CN(Cc2ccccc2NC(=O)[*:1])C[C@@H](C)O1
Cc1c(C(=O)Nc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2ccc(cc2)OC)[C@@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 COc1ccc(cc1)C(=O)[*:1] COc1ccc(cc1)N1C(=O)C([O-])=C([C@@H]1c1ccccc1F)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1F)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccc1F
C[C@H](N[C@H](c1ccc(F)cc1)C(F)(F)F)c1cccs1 c1csc(c1)[*:1] C[C@H](N[C@H](c1ccc(F)cc1)C(F)(F)F)[*:1]
C[C@H](N[C@H](c1ccc(F)cc1)C(F)(F)F)c1cccs1 FC(F)(F)[*:1] C[C@H](N[C@H](c1ccc(F)cc1)[*:1])c1cccs1
CN(C)C1(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CCOCC1 CN(C)[*:1] Clc1ccccc1-c1ccc(C[NH2+]CC2(CCOCC2)[*:1])o1
CN(C)C1(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CCOCC1 Clc1ccccc1[*:1] CN(C)C1(CCOCC1)C[NH2+]Cc1ccc(o1)[*:1]
Cc1cc2c(N3C[C@H](O)C[C@@H]3C3CCCCC3)ncnc2s1 C1CCC(CC1)[*:1] Cc1cc2c(ncnc2s1)N1C[C@H](O)C[C@H]1[*:1]
CNC(=O)c1ccc(NC[C@@H](C)CCO)[nH+]n1 OCC[*:1] CNC(=O)c1ccc(NC[C@@H](C)[*:1])[nH+]n1
CNC(=O)c1ccc(NC[C@@H](C)CCO)[nH+]n1 CNC(=O)[*:1] C[C@@H](CCO)CNc1ccc(n[nH+]1)[*:1]
CNC(=O)c1ccc(NC[C@@H](C)CCO)[nH+]n1 C[C@@H](CCO)[*:1] CNC(=O)c1ccc(NC[*:1])[nH+]n1
COc1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@H](C)S[*:1]
Cc1cccc(C(C)C)c1NC(=O)COc1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1cccc(c1NC(=O)COc1ccc(cc1)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)COc1ccc(C(N)=O)cc1 CC(C)[*:1] Cc1cccc(c1NC(=O)COc1ccc(cc1)C(N)=O)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 O=C(N[*:1])c1cccs1 C[C@H](C(=O)NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NC[C@H]1C[C@@]12CCc1ccccc12
CCS(=O)(=O)[N-]c1cccc(C(=O)Nc2ccc(CC(N)=O)cc2)c1 NC(=O)[*:1] CCS(=O)(=O)[N-]c1cccc(c1)C(=O)Nc1ccc(cc1)C[*:1]
CCS(=O)(=O)[N-]c1cccc(C(=O)Nc2ccc(CC(N)=O)cc2)c1 NC(=O)C[*:1] CCS(=O)(=O)[N-]c1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](O)CCC(=O)N1CCCC[C@H]1CCO C[C@@H](O)CC[*:1] O=C(N1CCCC[C@H]1CCO)[*:1]
C[C@@H](O)CCC(=O)N1CCCC[C@H]1CCO C[C@@H](O)C[*:1] O=C(C[*:1])N1CCCC[C@H]1CCO
C[C@@H](O)CCC(=O)N1CCCC[C@H]1CCO OCC[*:1] C[C@@H](O)CCC(=O)N1CCCC[C@@H]1[*:1]
C[C@@H](O)CCC(=O)N1CCCC[C@H]1CCO C[C@@H](O)[*:1] O=C(CC[*:1])N1CCCC[C@H]1CCO
O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@@H]1COCCO1 C1CO[C@@H](C1)[*:1] O=C(Nc1ccc2nc([nH]c2c1)[*:1])[C@@H]1COCCO1
O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] O=C(Nc1ccc2nc([nH]c2c1)[C@@H]1CCCO1)[*:1]
N#Cc1ccccc1NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O N#Cc1ccccc1[*:1] O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)N[*:1]
N#Cc1ccccc1NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O c1csc(c1)[*:1] N#Cc1ccccc1NC(=O)CN1C(=O)C(=O)N(CC[*:1])C1=O
N#Cc1ccccc1NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O c1csc(c1)CC[*:1] N#Cc1ccccc1NC(=O)CN1C(=O)C(=O)N(C1=O)[*:1]
N#Cc1ccccc1NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O c1csc(c1)C[*:1] N#Cc1ccccc1NC(=O)CN1C(=O)C(=O)N(C[*:1])C1=O
O=C(CSc1n[nH]c(N/N=C/c2ccc(F)cc2)n1)Nc1ccccc1F Fc1ccc(cc1)[*:1] O=C(CSc1n[nH]c(n1)NN=C[*:1])Nc1ccccc1F
O=C(CSc1n[nH]c(N/N=C/c2ccc(F)cc2)n1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CSc1n[nH]c(n1)N/N=C/c1ccc(F)cc1)N[*:1]
C[C@@H](Nc1ncnc(N(C)Cc2ccccc2)c1N)c1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Nc1ncnc(c1N)N(C)[*:1])c1ccccc1
C[C@@H](Nc1ncnc(N(C)Cc2ccccc2)c1N)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1ncnc(c1N)N(C)C[*:1])c1ccccc1
C[C@@H](Nc1ncnc(N(C)Cc2ccccc2)c1N)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CN(Cc1ccccc1)c1ncnc(N[*:1])c1N
C[C@@H](Nc1ncnc(N(C)Cc2ccccc2)c1N)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1ncnc(c1N)N(C)Cc1ccccc1)[*:1]
O=C(Nc1cccnc1-n1cncn1)N1CCC[C@H]1CC1CCCCC1 C1CCC(CC1)C[*:1] O=C(Nc1cccnc1-n1cncn1)N1CCC[C@@H]1[*:1]
O=C(Nc1cccnc1-n1cncn1)N1CCC[C@H]1CC1CCCCC1 c1ncn(n1)[*:1] O=C(Nc1cccnc1[*:1])N1CCC[C@H]1CC1CCCCC1
O=C(Nc1cccnc1-n1cncn1)N1CCC[C@H]1CC1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1cccnc1-n1cncn1)N1CCC[C@H]1C[*:1]
ClCC#Cc1ccccc1O[C@H]1CCOC2(CCCC2)C1 ClCC#C[*:1] c1ccc(c(c1)O[C@H]1CCOC2(CCCC2)C1)[*:1]
COc1ccc(COC(=O)N/N=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)COC(=O)NN=C[*:1]
Cc1ccc(N(C(=O)COc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(COc1ccccc1)N([C@H]1C=CS(=O)(=O)C1)[*:1]
Cc1ccc(N(C(=O)COc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1Cl c1ccc(cc1)OC[*:1] Cc1ccc(cc1Cl)N(C(=O)[*:1])[C@H]1C=CS(=O)(=O)C1
Cc1ccc(N(C(=O)COc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1Cl c1ccc(cc1)O[*:1] Cc1ccc(cc1Cl)N(C(=O)C[*:1])[C@H]1C=CS(=O)(=O)C1
Cc1ccc(N(C(=O)COc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)N(C(=O)CO[*:1])[C@H]1C=CS(=O)(=O)C1
CCc1nn(C)c(OC)c1CNC(=O)NC1(CCO)CCC1 OCC[*:1] CCc1nn(C)c(OC)c1CNC(=O)NC1(CCC1)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)NC1(CCO)CCC1 OCCC1(CCC1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N[*:1]
CC(C)CC(=O)N1CCN(C(=O)COc2cccc(Oc3ccccn3)c2)CC1 CC(C)C[*:1] O=C(COc1cccc(c1)Oc1ccccn1)N1CCN(CC1)C(=O)[*:1]
CC(C)CC(=O)N1CCN(C(=O)COc2cccc(Oc3ccccn3)c2)CC1 c1ccc(nc1)O[*:1] CC(C)CC(=O)N1CCN(CC1)C(=O)COc1cccc(c1)[*:1]
CC(C)CC(=O)N1CCN(C(=O)COc2cccc(Oc3ccccn3)c2)CC1 CC(C)[*:1] O=C(COc1cccc(c1)Oc1ccccn1)N1CCN(CC1)C(=O)C[*:1]
CC(C)CC(=O)N1CCN(C(=O)COc2cccc(Oc3ccccn3)c2)CC1 c1ccc(nc1)[*:1] CC(C)CC(=O)N1CCN(CC1)C(=O)COc1cccc(c1)O[*:1]
Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 Cc1ccccc1OC[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccccc1
Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 Cc1ccccc1O[*:1] O=C(C[*:1])Nc1ccc(cc1)NC(=O)c1ccccc1
Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 O=C(N[*:1])c1ccccc1 Cc1ccccc1OCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 Cc1ccccc1[*:1] O=C(CO[*:1])Nc1ccc(cc1)NC(=O)c1ccccc1
Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccccc1OCC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CCc1ccc(C(=O)NNC(=O)NCc2cccnc2OC)cc1 COc1ncccc1[*:1] CCc1ccc(cc1)C(=O)NNC(=O)NC[*:1]
CCc1ccc(C(=O)NNC(=O)NCc2cccnc2OC)cc1 CCc1ccc(cc1)[*:1] COc1ncccc1CNC(=O)NNC(=O)[*:1]
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@@H]1CC[C@@H](CN1C(=O)c1ccc(cc1)[*:1])C(N)=O
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)c1ccc(cc1)O[*:1])C(N)=O
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(OC(F)(F)F)cc1 NC(=O)[*:1] C[C@@H]1CC[C@H](CN1C(=O)c1ccc(cc1)OC(F)(F)F)[*:1]
COCC[C@H](C)C(=O)Oc1ccc(C)cc1C COC[*:1] Cc1ccc(OC(=O)[C@@H](C)C[*:1])c(C)c1
COCC[C@H](C)C(=O)Oc1ccc(C)cc1C COCC[*:1] Cc1ccc(OC(=O)[C@@H](C)[*:1])c(C)c1
CCCCC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 CCCCC[C@H](C)[*:1] O=C1Cc2cc(ccc2N1)NC(=O)C(=O)N[*:1]
CCCCC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 CCCC[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc2NC(=O)Cc2c1
CCCCC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 CCC[*:1] C[C@@H](CC[*:1])NC(=O)C(=O)Nc1ccc2NC(=O)Cc2c1
CCCCC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 CCCCC[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2NC(=O)Cc2c1)[*:1]
CCC[C@H]1CN(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)CCO1 COC(=O)[*:1] CCC[C@H]1CN(CCO1)C(=O)Nc1sc2CCCc2c1[*:1]
CCC[C@H]1CN(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)CCO1 CCC[*:1] COC(=O)c1c(NC(=O)N2CCO[C@H](C2)[*:1])sc2CCCc21
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)OC(=O)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@H](C=1[*:1])c1ccc(C)cc1
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)c2c(n(C)c(=O)n(C)c2=O)N1 Cc1ccc(cc1)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@@H](C=1C(=O)OC(C)C)[*:1]
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)c2c(n(C)c(=O)n(C)c2=O)N1 CC(C)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@H](C=1C(=O)O[*:1])c1ccc(C)cc1
CC1CCN(C(=O)[C@H](NC(=O)N[C@@H](C)c2cccs2)c2ccccc2)CC1 c1csc(c1)[*:1] CC1CCN(CC1)C(=O)[C@H](NC(=O)N[C@@H](C)[*:1])c1ccccc1
CC1CCN(C(=O)[C@H](NC(=O)N[C@@H](C)c2cccs2)c2ccccc2)CC1 CC1CCN(CC1)C(=O)[*:1] C[C@H](NC(=O)N[C@H](c1ccccc1)[*:1])c1cccs1
CC1CCN(C(=O)[C@H](NC(=O)N[C@@H](C)c2cccs2)c2ccccc2)CC1 C[C@@H](c1cccs1)[*:1] CC1CCN(CC1)C(=O)[C@H](NC(=O)N[*:1])c1ccccc1
CC1CCN(C(=O)[C@H](NC(=O)N[C@@H](C)c2cccs2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)[C@H](NC(=O)N[C@@H](C)c1cccs1)[*:1]
CCOC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1nc(-c2ccc(NC(=O)c3ccc(-n4cncn4)cc3)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)-n1cncn1
Cc1nc(-c2ccc(NC(=O)c3ccc(-n4cncn4)cc3)cc2)cs1 c1ncn(n1)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
NC(=O)C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 NC(=O)[*:1] O=C(c1cc(on1)-c1cccs1)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 c1csc(c1)[*:1] NC(=O)C1CCN(CC1)C(=O)c1cc(on1)[*:1]
COc1ccc(/C=C/C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(/C=C/C(=O)N2CCC(CC2)NS(=O)(=O)[*:1])cc1OC
COc1ccc(/C=C/C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)C=C[*:1]
O=C(NC[C@@H](O)c1ccoc1)c1ccccc1Cl c1cc(co1)[*:1] O=C(NC[C@@H](O)[*:1])c1ccccc1Cl
Cc1nc(N(C)CCOc2ccccc2)c2c([nH+]1)CC[NH2+]CC2 c1ccc(cc1)[*:1] Cc1nc(c2CC[NH2+]CCc2[nH+]1)N(C)CCO[*:1]
Cc1nc(N(C)CCOc2ccccc2)c2c([nH+]1)CC[NH2+]CC2 c1ccc(cc1)O[*:1] Cc1nc(c2CC[NH2+]CCc2[nH+]1)N(C)CC[*:1]
C=CCN(CC=C)C(=O)c1ccccc1C(=O)c1ccccc1 C=CC[*:1] C=CCN(C(=O)c1ccccc1C(=O)c1ccccc1)[*:1]
C=CCN(CC=C)C(=O)c1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(CC=C)C(=O)c1ccccc1C(=O)[*:1]
c1ccc(-c2cnc(CN[C@@H](C[NH+]3CCCC3)c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1cnc(CN[C@@H](C[NH+]2CCCC2)[*:1])s1
c1ccc(-c2cnc(CN[C@@H](C[NH+]3CCCC3)c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)[C@H](C[NH+]1CCCC1)NCc1ncc(s1)[*:1]
Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccccc4C)c(=O)n3n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)Cn1nc2ccc(nn2c1=O)S[*:1]
Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccccc4C)c(=O)n3n2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)Sc1ccc2nn(CC(=O)N[*:1])c(=O)n2n1
Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccccc4C)c(=O)n3n2)cc1 Cc1ccc(cc1)S[*:1] Cc1ccccc1NC(=O)Cn1nc2ccc(nn2c1=O)[*:1]
CCc1nn(C)cc1CNC(=O)NC1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)NC1CCN(CC1)[*:1]
CCc1nn(C)cc1CNC(=O)NC1CCN(c2ccccc2)CC1 CCc1nn(C)cc1[*:1] O=C(NC[*:1])NC1CCN(CC1)c1ccccc1
CC(C)Cn1ccnc(NCC[S@@](C)=O)c1=O CC(C)[*:1] C[S@@](=O)CCNc1nccn(C[*:1])c1=O
CC(C)Cn1ccnc(NCC[S@@](C)=O)c1=O CC(C)C[*:1] C[S@@](=O)CCNc1nccn(c1=O)[*:1]
CCCCNC(=O)C[NH+]1CCC(c2nnc3ccccn23)CC1 CCCCNC(=O)[*:1] c1ccn2c(nnc2c1)C1CC[NH+](CC1)C[*:1]
CCCCNC(=O)C[NH+]1CCC(c2nnc3ccccn23)CC1 CCCC[*:1] O=C(C[NH+]1CCC(CC1)c1nnc2ccccn12)N[*:1]
CCCCNC(=O)C[NH+]1CCC(c2nnc3ccccn23)CC1 CCC[*:1] O=C(C[NH+]1CCC(CC1)c1nnc2ccccn12)NC[*:1]
COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)ncnc32)c1 NC(=O)[*:1] COc1cccc(c1)-n1c(=O)[nH]c2c(ncnc21)[*:1]
CCc1n[n-]c([S@](=O)CC(=O)Nc2ccc(OC(F)F)cc2)n1 FC(F)[*:1] CCc1n[n-]c(n1)[S@](=O)CC(=O)Nc1ccc(cc1)O[*:1]
CCc1n[n-]c([S@](=O)CC(=O)Nc2ccc(OC(F)F)cc2)n1 FC(F)O[*:1] CCc1n[n-]c(n1)[S@](=O)CC(=O)Nc1ccc(cc1)[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)NCCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)NCC[*:1]
COC(=O)c1cccc(SCCS(=O)(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COC(=O)c1cccc(c1)SCCS(=O)(=O)[*:1]
COC(=O)c1cccc(SCCS(=O)(=O)c2ccc(C)cc2)c1 COC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)CCSc1cccc(c1)[*:1]
COC(=O)ON1C(=O)c2ccccc2N[C@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)ON1C(=O)c2ccccc2N[C@H]1c1ccccc1[*:1]
Cc1oc(-c2cccs2)nc1C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F c1csc(c1)[*:1] Cc1oc(nc1C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F)[*:1]
Cc1oc(-c2cccs2)nc1C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F FC(F)[*:1] Cc1oc(nc1C(=O)O[C@@H](C)c1nc2ccccc2n1[*:1])-c1cccs1
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)NS(=O)(=O)[*:1])c2C#N
C[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C O=[N+]([O-])[*:1] C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(c(F)c2)[*:1])[C@@H]1C
N#C[C@@H]1CN(C(=O)c2ccc(C#CCO)cn2)CCO1 OCC#C[*:1] N#C[C@@H]1CN(CCO1)C(=O)c1ccc(cn1)[*:1]
O=C(Nc1ccc(-n2ncnn2)cc1)c1cc(=O)c2cc(Cl)ccc2o1 c1nnn(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(=O)c2cc(Cl)ccc2o1
Cn1cc(C[NH+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cn1 Cn1cc(cn1)[*:1] C[NH+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[*:1]
Cn1cc(C[NH+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cn1 Cn1cc(cn1)C[*:1] C[NH+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[*:1]
Cn1cc(C[NH+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cn1 FC(F)O[*:1] Cn1cc(cn1)C[NH+](C)CC(=O)Nc1ccc(c(Cl)c1)[*:1]
Cn1cc(C[NH+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cn1 FC(F)[*:1] Cn1cc(cn1)C[NH+](C)CC(=O)Nc1ccc(O[*:1])c(Cl)c1
COc1cccc(OCC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)c1 CN(C)C(=O)[*:1] COc1cccc(c1)OCC(=O)Nc1ccc(C)c(c1)[*:1]
COc1cccc(OCC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)CO[*:1]
COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=O)c1ccc(cc1)-c1ccccc1
COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 COc1ccc(cc1)O[*:1] O=C(C[*:1])NNC(=O)c1ccc(cc1)-c1ccccc1
COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)NNC(=O)c1ccc(cc1)[*:1]
CC(=O)N1CC[C@@H](C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)C1 Clc1ccc(cc1)[*:1] CC(=O)N1CC[C@H](C1)C(=O)N1CC=C(CC1)[*:1]
Cc1cc(C)n2nc(SCC(=O)c3ccc[nH]3)nc2n1 c1c[nH]c(c1)[*:1] Cc1cc(C)n2nc(nc2n1)SCC(=O)[*:1]
Cc1csc(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])n1 Cn1ccnc1[*:1] Cc1csc(n1)Sc1ccc(cc1[N+](=O)[O-])C(=O)[*:1]
Cc1csc(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])n1 Cc1csc(n1)S[*:1] Cn1ccnc1C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1csc(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])n1 Cn1ccnc1C(=O)[*:1] Cc1csc(n1)Sc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1csc(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])n1 Cc1csc(n1)[*:1] Cn1ccnc1C(=O)c1ccc(S[*:1])c(c1)[N+](=O)[O-]
Cc1csc(Sc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1csc(n1)Sc1ccc(cc1[*:1])C(=O)c1nccn1C
CCn1ncc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)c1C CCn1ncc(c1C)[*:1] Cn1c(=S)[nH]c(=O)c2c(cc(nc21)[*:1])C(F)(F)F
CCn1ncc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)c1C FC(F)(F)[*:1] CCn1ncc(-c2cc(c3c(=O)[nH]c(=S)n(C)c3n2)[*:1])c1C
CCOc1cc2c(cc1NC(=O)c1ccc[n+]([O-])c1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)NC(=O)c1ccc[n+]([O-])c1)[*:1]
CCOc1cc2c(cc1NC(=O)c1ccc[n+]([O-])c1)O[C@H](C)C2 [O-][n+]1cccc(c1)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)[*:1]
C[C@H](SCC(=O)N[C@H]1CCSC1=O)c1c(F)cccc1F O=C1SCC[C@@H]1[*:1] C[C@H](SCC(=O)N[*:1])c1c(F)cccc1F
COc1ccc(-c2noc(-c3nnn(-c4cccc(OC)c4)c3C)n2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)-c1noc(n1)-c1nnn(c1C)[*:1]
COc1ccc(-c2noc(-c3nnn(-c4cccc(OC)c4)c3C)n2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)-n1nnc(-c2nc(no2)[*:1])c1C
C[NH+](Cc1ccc(C#N)cc1)Cc1noc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[NH+](Cc1ccc(C#N)cc1)Cc1noc(n1)[*:1]
Cc1ccc(NC(=O)CCC2CCCCC2)c(N)c1 C1CCC(CC1)[*:1] Cc1ccc(NC(=O)CC[*:1])c(N)c1
Cc1ccc(N2CCCN(C(=O)CCc3cccs3)CC2)nn1 c1csc(c1)C[*:1] Cc1ccc(nn1)N1CCCN(CC1)C(=O)C[*:1]
Cc1ccc(N2CCCN(C(=O)CCc3cccs3)CC2)nn1 c1csc(c1)[*:1] Cc1ccc(nn1)N1CCCN(CC1)C(=O)CC[*:1]
Cc1ccc(N2CCCN(C(=O)CCc3cccs3)CC2)nn1 Cc1ccc(nn1)[*:1] O=C(CCc1cccs1)N1CCCN(CC1)[*:1]
Cc1ccc(N2CCCN(C(=O)CCc3cccs3)CC2)nn1 c1csc(c1)CC[*:1] Cc1ccc(nn1)N1CCCN(CC1)C(=O)[*:1]
Cc1ccc(/C=C\C2=N/C(=C\c3cccc(F)c3)C(=O)O2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(/C=C\C2=N/C(=C[*:1])/C(=O)O2)cc1
Cc1ccc(/C=C\C2=N/C(=C\c3cccc(F)c3)C(=O)O2)cc1 Cc1ccc(cc1)[*:1] O=C1O/C(C=C[*:1])=N/C1=C\c1cccc(F)c1
COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 COC(=O)[*:1] O=C(Nc1ccccc1)N1CCC[C@H](C1)[*:1]
[NH3+]CCCn1nnnc1[C@H]1CN2CCC[C@H]2CO1 [NH3+]CC[*:1] C1C[C@H]2CO[C@H](CN2C1)c1nnnn1C[*:1]
[NH3+]CCCn1nnnc1[C@H]1CN2CCC[C@H]2CO1 [NH3+]CCC[*:1] C1C[C@H]2CO[C@H](CN2C1)c1nnnn1[*:1]
Cc1noc(C)c1[C@H](C)CC(=O)OCc1nc(C2CC2)cs1 Cc1noc(C)c1[*:1] C[C@H](CC(=O)OCc1nc(cs1)C1CC1)[*:1]
Cc1noc(C)c1[C@H](C)CC(=O)OCc1nc(C2CC2)cs1 C1CC1[*:1] Cc1noc(C)c1[C@H](C)CC(=O)OCc1nc(cs1)[*:1]
NC(=O)C1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccccc2)CC1 O=S(=O)(c1ccccc1)[*:1] NC(=O)C1CCN(CC1)c1oc(nc1[*:1])-c1ccccc1F
NC(=O)C1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)c1oc(nc1S(=O)(=O)[*:1])-c1ccccc1F
NC(=O)C1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccccc2)CC1 NC(=O)C1CCN(CC1)[*:1] O=S(=O)(c1ccccc1)c1nc(oc1[*:1])-c1ccccc1F
NC(=O)C1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccccc2)CC1 Fc1ccccc1[*:1] NC(=O)C1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccccc1)[*:1]
NC(=O)C1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccccc2)CC1 NC(=O)[*:1] O=S(=O)(c1ccccc1)c1nc(oc1N1CCC(CC1)[*:1])-c1ccccc1F
CCOC(=O)C1(C)CCN(C(=O)NCC(C)(C)c2cccc(OC)c2)CC1 CCOC(=O)[*:1] COc1cccc(c1)C(C)(C)CNC(=O)N1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)NCC(C)(C)c2cccc(OC)c2)CC1 COc1cccc(c1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)NCC(C)(C)[*:1]
CNC(=O)CC1CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 CNC(=O)C[*:1] Fc1cc(F)cc(c1)Oc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
CNC(=O)CC1CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 CNC(=O)[*:1] Fc1cc(F)cc(c1)Oc1ccc(cc1)C[NH+]1CCC(CC1)C[*:1]
CNC(=O)CC1CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 Fc1cc(F)cc(c1)O[*:1] CNC(=O)CC1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CNC(=O)CC1CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 Fc1cc(F)cc(c1)[*:1] CNC(=O)CC1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
C[C@@]1(C(=O)Nc2cccc(/C(N)=N/O)c2)CCCO1 N/C(=N\O)[*:1] C[C@]1(CCCO1)C(=O)Nc1cccc(c1)[*:1]
O=C(Nc1c[nH]cc(Br)c1=O)c1ccon1 c1cc(no1)[*:1] O=C(Nc1c[nH]cc(Br)c1=O)[*:1]
CCCc1cc(C(=O)N2CCCC[C@@H]2C)[nH]n1 CCC[*:1] C[C@H]1CCCCN1C(=O)c1cc(n[nH]1)[*:1]
COc1cc(OC)c(CCNC(=O)c2ccc(C)nc2)c(OC)c1 Cc1ccc(cn1)[*:1] COc1cc(OC)c(CCNC(=O)[*:1])c(c1)OC
Cc1csc(C[C@@H](C)C[C@H](C)Br)n1 C[C@H](Br)C[*:1] Cc1csc(C[C@@H](C)[*:1])n1
Cc1csc(C[C@@H](C)C[C@H](C)Br)n1 C[C@H](Br)[*:1] Cc1csc(C[C@@H](C)C[*:1])n1
COc1ccccc1[C@@]1(O)CCCN(C(=O)c2ccnn2C(C)C)C1 CC(C)[*:1] COc1ccccc1[C@@]1(O)CCCN(C1)C(=O)c1ccnn1[*:1]
COc1ccccc1[C@@]1(O)CCCN(C(=O)c2ccnn2C(C)C)C1 CC(C)n1nccc1[*:1] COc1ccccc1[C@@]1(O)CCCN(C1)C(=O)[*:1]
COc1ccccc1[C@@]1(O)CCCN(C(=O)c2ccnn2C(C)C)C1 COc1ccccc1[*:1] CC(C)n1nccc1C(=O)N1CCC[C@](O)(C1)[*:1]
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(C)[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(C)[C@@H]1[*:1]
CC(C)OC(=O)NCc1ccc(NC(=O)N[C@@H]2CCCC2(C)C)cc1 CC(C)[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1ccc(cc1)CNC(=O)O[*:1]
CC(C)OC(=O)NCc1ccc(NC(=O)N[C@@H]2CCCC2(C)C)cc1 CC(C)OC(=O)N[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1ccc(cc1)C[*:1]
CC(C)OC(=O)NCc1ccc(NC(=O)N[C@@H]2CCCC2(C)C)cc1 CC(C)OC(=O)NC[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(CNC(=O)NCCC(=O)N(C)C)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)NCCC(=O)N(C)C)c(c1)[*:1]
Cc1ccc(CNC(=O)NCCC(=O)N(C)C)c(N(C)C)c1 CN(C)C(=O)C[*:1] Cc1ccc(CNC(=O)NC[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)NCCC(=O)N(C)C)c(N(C)C)c1 CN(C)C(=O)CC[*:1] Cc1ccc(CNC(=O)N[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)NCCC(=O)N(C)C)c(N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccc(CNC(=O)NCC[*:1])c(c1)N(C)C
Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccncc1F Fc1cnccc1[*:1] Cc1cc(C)c2c(c1)CCCN2C(=O)[*:1]
O=C(CNC(=O)c1cccs1)/N=c1\[nH]c2ccccc2n1C1CCCC1 O=C(N[*:1])c1cccs1 O=C(C[*:1])/N=c1\[nH]c2ccccc2n1C1CCCC1
O=C(CNC(=O)c1cccs1)/N=c1\[nH]c2ccccc2n1C1CCCC1 c1csc(c1)[*:1] O=C(CNC(=O)[*:1])/N=c1\[nH]c2ccccc2n1C1CCCC1
O=C(CNC(=O)c1cccs1)/N=c1\[nH]c2ccccc2n1C1CCCC1 C1CCC(C1)[*:1] O=C(CNC(=O)c1cccs1)/N=c1\[nH]c2ccccc2n1[*:1]
CCc1nn(C)cc1NC(=O)CCCc1nc(C(C)(C)C)no1 CC(C)(C)[*:1] CCc1nn(C)cc1NC(=O)CCCc1nc(no1)[*:1]
COc1ccc(NC(=O)NCCNc2nc3c(C)cccc3cc2C#N)cc1 COc1ccc(cc1)[*:1] Cc1cccc2cc(C#N)c(nc12)NCCNC(=O)N[*:1]
COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4cccc(F)c4)no3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)c1ncccc1-c1nc(no1)-c1cccc(F)c1
COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4cccc(F)c4)no3)CC2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)CNC(=O)C1CCN(CC1)c1ncccc1-c1nc(no1)[*:1]
COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4cccc(F)c4)no3)CC2)cc1 COc1ccc(cc1)CNC(=O)[*:1] Fc1cccc(c1)-c1noc(n1)-c1cccnc1N1CCC(CC1)[*:1]
COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4cccc(F)c4)no3)CC2)cc1 Fc1cccc(c1)-c1noc(n1)[*:1] COc1ccc(cc1)CNC(=O)C1CCN(CC1)c1ncccc1[*:1]
COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3nc(-c4cccc(F)c4)no3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1ncccc1-c1nc(no1)-c1cccc(F)c1
C[C@@H](CC#N)Nc1cc[nH+]c(C(=O)NCc2ccccc2)c1 N#CC[*:1] C[C@@H](Nc1cc[nH+]c(c1)C(=O)NCc1ccccc1)[*:1]
C[C@@H](CC#N)Nc1cc[nH+]c(C(=O)NCc2ccccc2)c1 C[C@@H](CC#N)[*:1] O=C(NCc1ccccc1)c1cc(cc[nH+]1)N[*:1]
C[C@@H](CC#N)Nc1cc[nH+]c(C(=O)NCc2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H](CC#N)Nc1cc[nH+]c(c1)C(=O)NC[*:1]
C[C@@H](CC#N)Nc1cc[nH+]c(C(=O)NCc2ccccc2)c1 c1ccc(cc1)C[*:1] C[C@@H](CC#N)Nc1cc[nH+]c(c1)C(=O)N[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] C[C@@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)C[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)C[C@H](O)[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C[C@H](O)c1ccccc1 c1ncn(n1)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)C[C@H](O)c1ccccc1
COc1cccc(CNC(=O)Nc2cccc(-c3noc(C)n3)c2)c1 Cc1nc(no1)[*:1] COc1cccc(c1)CNC(=O)Nc1cccc(c1)[*:1]
COc1cccc(CNC(=O)Nc2cccc(-c3noc(C)n3)c2)c1 COc1cccc(c1)[*:1] Cc1nc(no1)-c1cccc(c1)NC(=O)NC[*:1]
Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3cccc(-n4cccc4)c3)cc2)c(C)c1[N+](=O)[O-] c1ccn(c1)[*:1] Cc1nn(Cc2ccc(cc2)C(=O)N[C@@H](C)c2cccc(c2)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3cccc(-n4cccc4)c3)cc2)c(C)c1[N+](=O)[O-] Cc1nn(C[*:1])c(C)c1[N+](=O)[O-] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1cccc(c1)-n1cccc1
Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3cccc(-n4cccc4)c3)cc2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(Cc2ccc(cc2)C(=O)N[C@@H](C)c2cccc(c2)-n2cccc2)c(C)c1[*:1]
Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3cccc(-n4cccc4)c3)cc2)c(C)c1[N+](=O)[O-] Cc1nn(c(C)c1[N+](=O)[O-])[*:1] C[C@H](NC(=O)c1ccc(cc1)C[*:1])c1cccc(c1)-n1cccc1
Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3cccc(-n4cccc4)c3)cc2)c(C)c1[N+](=O)[O-] c1cc(cc(c1)[*:1])-n1cccc1 Cc1nn(Cc2ccc(cc2)C(=O)N[C@@H](C)[*:1])c(C)c1[N+](=O)[O-]
Nc1[nH+]cccc1CN1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1 c1ccc(cc1)[*:1] Nc1[nH+]cccc1CN1CCC[C@H](C1)c1[nH]ncc1C[*:1]
Nc1[nH+]cccc1CN1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] Nc1[nH+]cccc1CN1CCC[C@H](C1)c1[nH]ncc1[*:1]
Cc1cc(NC(=O)NCCc2ccccn2)ccc1C(N)=O NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NCCc1ccccn1
Cc1cc(NC(=O)NCCc2ccccn2)ccc1C(N)=O c1ccc(C[*:1])nc1 Cc1cc(ccc1C(N)=O)NC(=O)NC[*:1]
Cc1cc(NC(=O)NCCc2ccccn2)ccc1C(N)=O c1ccc(nc1)[*:1] Cc1cc(ccc1C(N)=O)NC(=O)NCC[*:1]
Cc1cnc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cn1 Cc1cnc(cn1)[*:1] O=C(N1CCCC[C@@H]1c1nc2ccccc2s1)[*:1]
O=C(C[C@@H]1CCCO1)NC[C@H]1C[C@]12CCc1ccccc12 C1CO[C@@H](C1)C[*:1] O=C(NC[C@H]1C[C@]12CCc1ccccc12)[*:1]
O=C(C[C@@H]1CCCO1)NC[C@H]1C[C@]12CCc1ccccc12 C1CO[C@@H](C1)[*:1] O=C(C[*:1])NC[C@H]1C[C@]12CCc1ccccc12
Cc1cnc(CN2C[C@]3(CCCN(C(=O)COCC(N)=O)C3)CCC2=O)cn1 NC(=O)CO[*:1] Cc1cnc(cn1)CN1C[C@]2(CCCN(C2)C(=O)C[*:1])CCC1=O
Cc1cnc(CN2C[C@]3(CCCN(C(=O)COCC(N)=O)C3)CCC2=O)cn1 NC(=O)COC[*:1] Cc1cnc(cn1)CN1C[C@]2(CCCN(C2)C(=O)[*:1])CCC1=O
Cc1cnc(CN2C[C@]3(CCCN(C(=O)COCC(N)=O)C3)CCC2=O)cn1 NC(=O)[*:1] Cc1cnc(cn1)CN1C[C@]2(CCCN(C2)C(=O)COC[*:1])CCC1=O
Cc1cnc(CN2C[C@]3(CCCN(C(=O)COCC(N)=O)C3)CCC2=O)cn1 Cc1cnc(cn1)C[*:1] NC(=O)COCC(=O)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
Cc1cnc(CN2C[C@]3(CCCN(C(=O)COCC(N)=O)C3)CCC2=O)cn1 Cc1cnc(cn1)[*:1] NC(=O)COCC(=O)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
Cc1cnc(CN2C[C@]3(CCCN(C(=O)COCC(N)=O)C3)CCC2=O)cn1 NC(=O)C[*:1] Cc1cnc(cn1)CN1C[C@]2(CCCN(C2)C(=O)CO[*:1])CCC1=O
CC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)c1ccc(C)cc1F O=C([O-])[*:1] CC[C@@H]1SC[C@H](N1C(=O)c1ccc(C)cc1F)[*:1]
CCn1c(=O)c2ccccc2n2c(CSc3nc(C)c(C)o3)nnc12 Cc1nc(oc1C)[*:1] CCn1c(=O)c2ccccc2n2c(CS[*:1])nnc12
CCn1c(=O)c2ccccc2n2c(CSc3nc(C)c(C)o3)nnc12 Cc1nc(oc1C)S[*:1] CCn1c(=O)c2ccccc2n2c(C[*:1])nnc12
CCC1(CNC(=O)C[C@H](C)NC(=O)C2CCCC2)CCC1 CCC1(CCC1)[*:1] C[C@@H](CC(=O)NC[*:1])NC(=O)C1CCCC1
CCC1(CNC(=O)C[C@H](C)NC(=O)C2CCCC2)CCC1 C1CCC(C1)[*:1] CCC1(CCC1)CNC(=O)C[C@H](C)NC(=O)[*:1]
CCC1(CNC(=O)C[C@H](C)NC(=O)C2CCCC2)CCC1 CCC1(CCC1)C[*:1] C[C@@H](CC(=O)N[*:1])NC(=O)C1CCCC1
CS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
CS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
COC[C@@H](O)C[C@@H](C(C)=O)C(C)C COC[*:1] CC(=O)[C@H](C[C@H](O)[*:1])C(C)C
COC[C@@H](O)C[C@@H](C(C)=O)C(C)C CC(C)[*:1] COC[C@@H](O)C[C@@H](C(C)=O)[*:1]
COC[C@@H](O)C[C@@H](C(C)=O)C(C)C CC(=O)[*:1] COC[C@@H](O)C[C@@H](C(C)C)[*:1]
CC(C)C(=O)N1CCC(=NOCC(=O)N[C@H](C)C(C)C)CC1 CC(C)[C@@H](C)[*:1] CC(C)C(=O)N1CCC(CC1)=NOCC(=O)N[*:1]
CC(C)C(=O)N1CCC(=NOCC(=O)N[C@H](C)C(C)C)CC1 CC(C)[*:1] CC(C)C(=O)N1CCC(CC1)=NOCC(=O)N[C@H](C)[*:1]
CC(C)C(=O)N1CCC(=NOCC(=O)N[C@H](C)C(C)C)CC1 CC(C)[*:1] CC(C)[C@@H](C)NC(=O)CON=C1CCN(CC1)C(=O)[*:1]
C[C@H](C1CC1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 C[C@H](C1CC1)[*:1] CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[*:1]
C[C@H](C1CC1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] C[C@H](C1CC1)N(C)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
C[C@H](C1CC1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 C1CC1[*:1] C[C@H](N(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[*:1]
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(N)=O NC(=O)[*:1] CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)[*:1]
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(N)=O CSC[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@H](C[*:1])C(N)=O
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(N)=O CSCC[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(N)=O)[*:1]
COC(=O)c1cncc(Oc2cc([N+](=O)[O-])ccc2C)n1 O=[N+]([O-])[*:1] COC(=O)c1cncc(n1)Oc1cc(ccc1C)[*:1]
COC(=O)c1cncc(Oc2cc([N+](=O)[O-])ccc2C)n1 COC(=O)[*:1] Cc1ccc(cc1Oc1cncc(n1)[*:1])[N+](=O)[O-]
CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc(OC)nc1)O[C@H](C)C2 COc1ccc(cn1)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1/C=C/C(=O)N[*:1]
CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc(OC)nc1)O[C@H](C)C2 CCO[*:1] COc1ccc(cn1)NC(=O)/C=C/c1cc2O[C@H](C)Cc2cc1[*:1]
O=C1C[C@H](c2ccccc2)c2c([O-])nc3ncnn3c2N1 c1ccc(cc1)[*:1] O=C1C[C@H](c2c([O-])nc3ncnn3c2N1)[*:1]
CC(C)(C)[C@H]1CCc2sc(C(=O)N[C@@H]3CCC(=O)NC3)cc2C1 O=C1CC[C@H](CN1)[*:1] CC(C)(C)[C@H]1CCc2sc(cc2C1)C(=O)N[*:1]
CC(C)(C)[C@H]1CCc2sc(C(=O)N[C@@H]3CCC(=O)NC3)cc2C1 CC(C)(C)[*:1] O=C1CC[C@H](CN1)NC(=O)c1cc2C[C@H](CCc2s1)[*:1]
Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(C3CC3)c2C)on1 C1CC1[*:1] Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(c2C)[*:1])on1
Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(C3CC3)c2C)on1 Cc1cc(on1)[*:1] Cc1cc(C(=O)O[C@@H](C)C(=O)N[*:1])c(C)n1C1CC1
Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC[C@H]2c2ccc[nH]2)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H](C[*:1])NC(=O)N1CCC[C@H]1c1ccc[nH]1
Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC[C@H]2c2ccc[nH]2)c1 c1c[nH]c(c1)[*:1] Cc1cc(C)cc(c1)C[C@H](C)NC(=O)N1CCC[C@@H]1[*:1]
C[C@@](O)(CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)CSc1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@@](O)(CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 O=[N+]([O-])[*:1] C[C@@](O)(CNC(=O)CSc1ccc(cc1)[*:1])c1ccc(F)cc1
CN(C)C(=O)Cc1coc2ccc3ccccc3c12 CN(C)C(=O)[*:1] c1ccc2c(c1)ccc1occ(C[*:1])c12
CN(C)C(=O)Cc1coc2ccc3ccccc3c12 CN(C)C(=O)C[*:1] c1ccc2c(c1)ccc1occ(c12)[*:1]
COc1ccc2c(c1)=[NH+][C@H](SCC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]=2 FC(F)(F)O[*:1] COc1ccc2=[NH+][C@H]([NH+]=c2c1)SCC(=O)Nc1ccc(cc1)[*:1]
COc1ccc2c(c1)=[NH+][C@H](SCC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]=2 FC(F)(F)[*:1] COc1ccc2=[NH+][C@H]([NH+]=c2c1)SCC(=O)Nc1ccc(cc1)O[*:1]
O=C([O-])c1cc(-c2ccccc2)nc(Nc2nc3ccccc3s2)n1 O=C([O-])[*:1] c1ccc(cc1)-c1cc(nc(n1)Nc1nc2ccccc2s1)[*:1]
O=C([O-])c1cc(-c2ccccc2)nc(Nc2nc3ccccc3s2)n1 c1ccc(cc1)[*:1] O=C([O-])c1cc(nc(n1)Nc1nc2ccccc2s1)[*:1]
CCc1nc(C(=O)Nc2ccc(C(N)=O)cc2)n[nH]1 NC(=O)[*:1] CCc1nc(n[nH]1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3nnc([C@@H]4CC(=O)N(c5ccccc5C)C4)s3)CC2=O)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3nnc([C@@H]4CC(=O)N(c5ccccc5C)C4)s3)CC2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1N1C[C@@H](CC1=O)c1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
C[C@H]1C[C@@H]1C(=O)NC1(C(=O)NCC2CC2)CCCC1 C1CC1[*:1] C[C@H]1C[C@@H]1C(=O)NC1(CCCC1)C(=O)NC[*:1]
C[C@H]1C[C@@H]1C(=O)NC1(C(=O)NCC2CC2)CCCC1 C1CC1C[*:1] C[C@H]1C[C@@H]1C(=O)NC1(CCCC1)C(=O)N[*:1]
CCc1nsc(N2CCN(Cc3nc(-c4ccsc4)no3)CC2)n1 c1cc(cs1)[*:1] CCc1nsc(n1)N1CCN(CC1)Cc1nc(no1)[*:1]
CCc1nsc(N2CCN(Cc3nc(-c4ccsc4)no3)CC2)n1 CCc1nsc(n1)[*:1] c1cc(cs1)-c1noc(CN2CCN(CC2)[*:1])n1
Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] Cn1nc(cc1NC(=O)C[NH+]1CCCN(CC1)[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] Cn1nc(cc1NC(=O)C[NH+]1CCCN(CC1)C[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCCN(CC(F)(F)F)CC1 CC(C)(C)[*:1] Cn1nc(cc1NC(=O)C[NH+]1CCCN(CC1)CC(F)(F)F)[*:1]
Cc1cnc(C[NH2+][C@@H](C)[C@@H](C)O)cn1 C[C@@H](O)[*:1] Cc1cnc(cn1)C[NH2+][C@@H](C)[*:1]
CC(C)(O)C(=O)N/N=C/c1cn(Cc2cccc(F)c2)c2ccccc12 CC(C)(O)[*:1] O=C(N/N=C/c1cn(Cc2cccc(F)c2)c2ccccc12)[*:1]
CC(C)(O)C(=O)N/N=C/c1cn(Cc2cccc(F)c2)c2ccccc12 Fc1cccc(c1)C[*:1] CC(C)(O)C(=O)N/N=C/c1cn(c2ccccc12)[*:1]
CC(C)(O)C(=O)N/N=C/c1cn(Cc2cccc(F)c2)c2ccccc12 Fc1cccc(c1)[*:1] CC(C)(O)C(=O)N/N=C/c1cn(C[*:1])c2ccccc12
CC(C)NC(=O)c1cccc(-c2cccs2)c1 c1csc(c1)[*:1] CC(C)NC(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)c1cccc(-c2cccs2)c1 CC(C)[*:1] O=C(N[*:1])c1cccc(c1)-c1cccs1
CN1C[C@@H](C(=O)N2CCC(NC(=O)c3ccccc3F)CC2)CC1=O Fc1ccccc1[*:1] CN1C[C@H](CC1=O)C(=O)N1CCC(CC1)NC(=O)[*:1]
c1ccc(-c2noc(-c3cc(N4CCCC4)[nH+]c4ccccc34)n2)cc1 c1ccc(cc1)[*:1] c1ccc2c(cc([nH+]c2c1)N1CCCC1)-c1nc(no1)[*:1]
c1ccc(-c2noc(-c3cc(N4CCCC4)[nH+]c4ccccc34)n2)cc1 C1CCN(C1)[*:1] c1ccc(cc1)-c1noc(n1)-c1cc([nH+]c2ccccc12)[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)N(C)[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] COc1cc(C)c(N)cc1S(=O)(=O)N(C)[*:1]
COc1cc(C)c(N)cc1S(=O)(=O)N(C)[C@H](C)C(C)C CC(C)[*:1] COc1cc(C)c(N)cc1S(=O)(=O)N(C)[C@H](C)[*:1]
CCC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 CN(C)S(=O)(=O)[*:1] CCC[C@@H](NC(=O)Nc1cccc(c1)[*:1])c1ccccc1
CCC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](NC(=O)Nc1cccc(c1)S(=O)(=O)N(C)C)[*:1]
CCC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 CCC[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)N[C@@H](c1ccccc1)[*:1]
CCN(C(=O)c1cc(C)n(-c2ccccc2)n1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(C(=O)c1cc(C)n(n1)-c1ccccc1)[*:1]
CCN(C(=O)c1cc(C)n(-c2ccccc2)n1)c1cccc(F)c1 c1ccc(cc1)[*:1] CCN(C(=O)c1cc(C)n(n1)[*:1])c1cccc(F)c1
O=C(CCC(=O)c1ccc(F)c(F)c1)NCCc1cccc(F)c1 Fc1ccc(cc1F)[*:1] O=C(CCC(=O)[*:1])NCCc1cccc(F)c1
O=C(CCC(=O)c1ccc(F)c(F)c1)NCCc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(CCC(=O)c1ccc(F)c(F)c1)NC[*:1]
O=C(CCC(=O)c1ccc(F)c(F)c1)NCCc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCC(=O)c1ccc(F)c(F)c1)NCC[*:1]
C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1ccccc1N(C)C CN(C)c1ccccc1[*:1] C[C@H]([NH2+]Cc1ccc(cc1)NC(=O)c1cccnc1)[*:1]
C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1ccccc1N(C)C c1cncc(c1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)NC(=O)[*:1])c1ccccc1N(C)C
C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1ccccc1N(C)C CN(C)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)NC(=O)c1cccnc1)c1ccccc1[*:1]
C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1ccccc1N(C)C O=C(N[*:1])c1cccnc1 C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1N(C)C
O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1cccnc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1cccnc1O[*:1]
O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1cccnc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1cccnc1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc2ccccc12 COCC[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccc2ccccc12)[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc2ccccc12 COC[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccc2ccccc12
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc2ccccc12 COc1ccc(cc1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccc2ccccc12
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] COCCN1C(=O)C([O-])=C(C(=O)c2ccc(cc2)OC)[C@@H]1[*:1]
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc2ccccc12 COc1ccc(cc1)C(=O)[*:1] COCCN1C(=O)C([O-])=C([C@H]1c1cccc2ccccc12)[*:1]
O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccc2c(c1)CCC2 O=C([O-])[*:1] O=S(=O)(Nc1cc(F)c(F)cc1[*:1])c1ccc2CCCc2c1
Cc1cc(Br)cc(C)c1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 Cc1cc(Br)cc(C)c1[*:1] O=C(N[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1
Cc1cc(Br)cc(C)c1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(Br)cc(C)c1NC(=O)c1ccc(c(c1)[*:1])N1CCCCC1
Cc1cc(Br)cc(C)c1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 C1CCN(CC1)[*:1] Cc1cc(Br)cc(C)c1NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cc1nc([C@@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)[nH]c(=O)c1Cc1ccccc1 O=C1c2ccccc2CN1C[*:1] Cc1nc([nH]c(=O)c1Cc1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
Cc1nc([C@@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)[nH]c(=O)c1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc([nH]c(=O)c1[*:1])[C@@H]1CCCN1C(=O)CN1Cc2ccccc2C1=O
Cc1nc([C@@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)[nH]c(=O)c1Cc1ccccc1 O=C1c2ccccc2CN1[*:1] Cc1nc([nH]c(=O)c1Cc1ccccc1)[C@@H]1CCCN1C(=O)C[*:1]
Cc1nc([C@@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)[nH]c(=O)c1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1C[*:1])[C@@H]1CCCN1C(=O)CN1Cc2ccccc2C1=O
CC[C@H](NC(=O)N[C@@H](C)c1ccc(C)c(F)c1)C(=O)N1CCOCC1 Cc1ccc(cc1F)[*:1] CC[C@H](NC(=O)N[C@@H](C)[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)N[C@@H](C)c1ccc(C)c(F)c1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)N[C@@H](C)c1ccc(C)c(F)c1)[*:1]
C[C@H](NC(=O)CO/N=C/C(=O)Nc1ccc(F)cc1)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)CO/N=C/C(=O)Nc1ccc(F)cc1)[*:1]
C[C@H](NC(=O)CO/N=C/C(=O)Nc1ccc(F)cc1)c1ccco1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CO/N=C/C(=O)N[*:1])c1ccco1
C[C@H](NC(=O)CO/N=C/C(=O)Nc1ccc(F)cc1)c1ccco1 C[C@H](c1ccco1)[*:1] O=C(/C=N/OCC(=O)N[*:1])Nc1ccc(F)cc1
O=C(NCc1cccnc1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 c1cncc(c1)C[*:1] O=C(N[*:1])c1cnn(-c2nccc(n2)-c2cccs2)c1C1CC1
O=C(NCc1cccnc1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 c1cncc(c1)[*:1] O=C(NC[*:1])c1cnn(-c2nccc(n2)-c2cccs2)c1C1CC1
O=C(NCc1cccnc1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 c1csc(c1)[*:1] O=C(NCc1cccnc1)c1cnn(-c2nccc(n2)[*:1])c1C1CC1
O=C(NCc1cccnc1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 C1CC1[*:1] O=C(NCc1cccnc1)c1cnn(-c2nccc(n2)-c2cccs2)c1[*:1]
C=C(C)Cn1c(SCC(=O)N/N=C/c2ccccc2)nc2ccccc2c1=O c1ccc(cc1)[*:1] C=C(C)Cn1c(nc2ccccc2c1=O)SCC(=O)NN=C[*:1]
C=C(C)Cn1c(SCC(=O)N/N=C/c2ccccc2)nc2ccccc2c1=O C=C(C)[*:1] O=C(CSc1nc2ccccc2c(=O)n1C[*:1])N/N=C/c1ccccc1
C=C(C)Cn1c(SCC(=O)N/N=C/c2ccccc2)nc2ccccc2c1=O C=C(C)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])N/N=C/c1ccccc1
CC(=O)Nc1nc2nc(C)cc(C)n2n1 CC(=O)N[*:1] Cc1cc(C)n2nc(nc2n1)[*:1]
CCS(=O)(=O)c1ccccc1NC[C@H]1CC[C@H](C(=O)[O-])O1 CCS(=O)(=O)[*:1] O=C([O-])[C@H]1CC[C@H](CNc2ccccc2[*:1])O1
CCS(=O)(=O)c1ccccc1NC[C@H]1CC[C@H](C(=O)[O-])O1 O=C([O-])[*:1] CCS(=O)(=O)c1ccccc1NC[C@H]1CC[C@H](O1)[*:1]
CCCCOc1ccc(-c2[nH]ncc2Oc2ccccc2)c(O)c1 CCC[*:1] Oc1cc(ccc1-c1[nH]ncc1Oc1ccccc1)OC[*:1]
CCCCOc1ccc(-c2[nH]ncc2Oc2ccccc2)c(O)c1 c1ccc(cc1)O[*:1] CCCCOc1ccc(c(O)c1)-c1[nH]ncc1[*:1]
CCCCOc1ccc(-c2[nH]ncc2Oc2ccccc2)c(O)c1 CCCC[*:1] Oc1cc(ccc1-c1[nH]ncc1Oc1ccccc1)O[*:1]
CCCCOc1ccc(-c2[nH]ncc2Oc2ccccc2)c(O)c1 CCCCO[*:1] Oc1cc(ccc1-c1[nH]ncc1Oc1ccccc1)[*:1]
CCCCOc1ccc(-c2[nH]ncc2Oc2ccccc2)c(O)c1 c1ccc(cc1)[*:1] CCCCOc1ccc(c(O)c1)-c1[nH]ncc1O[*:1]
Cc1noc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)n1 Fc1ccc(c(F)c1)[*:1] Cc1noc(n1)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
Cc1noc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)n1 Cc1noc(n1)NC(=O)[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1ccc(F)cc1F
Cc1noc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)n1 Cc1noc(n1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)N[*:1]
Cc1noc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)n1 Cc1noc(n1)NC(=O)C[*:1] O=c1c2ccccc2nc(S[*:1])n1-c1ccc(F)cc1F
C1=C(c2ccccc2)CC[NH+](Cc2cc(-c3ccccc3)no2)C1 c1ccc(cc1)[*:1] C1C[NH+](CCC=1[*:1])Cc1cc(no1)-c1ccccc1
C1=C(c2ccccc2)CC[NH+](Cc2cc(-c3ccccc3)no2)C1 c1ccc(cc1)[*:1] C1C[NH+](CCC=1c1ccccc1)Cc1cc(no1)[*:1]
O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@](CO)(CC2CC2)C1 C1CC1[*:1] O=C(Cc1ccc(cc1)-n1cnnn1)N1CCC[C@](CO)(C1)C[*:1]
O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@](CO)(CC2CC2)C1 C1CC1C[*:1] O=C(Cc1ccc(cc1)-n1cnnn1)N1CCC[C@@](CO)(C1)[*:1]
O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@](CO)(CC2CC2)C1 c1nnnn1[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCC[C@@](CO)(CC2CC2)C1
Cc1cnc([C@H](C)NC(=O)NC[C@@](C)(O)c2cccs2)s1 c1csc(c1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NC[C@@](C)(O)[*:1]
Cc1cnc([C@H](C)NC(=O)NC[C@@](C)(O)c2cccs2)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)NC[C@@](C)(O)c1cccs1)[*:1]
Cc1ccc(NC(=O)c2cnc(N3CCCC3)nc2)cc1F C1CCN(C1)[*:1] Cc1ccc(cc1F)NC(=O)c1cnc(nc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@@H]1CCCOC1)c1cc(no1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(CCCn1ccc2cc(Cl)ccc21)NNC(=O)C(=O)NC1CC1 C1CC1[*:1] O=C(CCCn1ccc2cc(Cl)ccc21)NNC(=O)C(=O)N[*:1]
Cn1nc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)c2ccccc2c1=O Brc1cccc(c1)[*:1] Cn1nc(CNC(=O)[C@@H]2CC(=O)N(C2)[*:1])c2ccccc2c1=O
O=S(=O)(c1c[nH]cn1)N(CCC(F)(F)F)C1CCCCC1 FC(F)(F)C[*:1] O=S(=O)(c1c[nH]cn1)N(C[*:1])C1CCCCC1
O=S(=O)(c1c[nH]cn1)N(CCC(F)(F)F)C1CCCCC1 c1nc(c[nH]1)[*:1] O=S(=O)(N(CCC(F)(F)F)C1CCCCC1)[*:1]
O=S(=O)(c1c[nH]cn1)N(CCC(F)(F)F)C1CCCCC1 C1CCC(CC1)[*:1] O=S(=O)(c1c[nH]cn1)N(CCC(F)(F)F)[*:1]
O=S(=O)(c1c[nH]cn1)N(CCC(F)(F)F)C1CCCCC1 FC(F)(F)CC[*:1] O=S(=O)(c1c[nH]cn1)N(C1CCCCC1)[*:1]
O=S(=O)(c1c[nH]cn1)N(CCC(F)(F)F)C1CCCCC1 FC(F)(F)[*:1] O=S(=O)(c1c[nH]cn1)N(CC[*:1])C1CCCCC1
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(Cn3cc(C)cn3)on2)C1 Cc1cnn(c1)C[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)c1cc(on1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(Cn3cc(C)cn3)on2)C1 Cc1cnn(c1)[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)c1cc(C[*:1])on1
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(Cn3cc(C)cn3)on2)C1 CCNS(=O)(=O)[*:1] Cc1cnn(c1)Cc1cc(no1)C(=O)N1CC[C@@H](C1)[*:1]
CCc1ccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc2oc(C(=O)N(C[*:1])[C@@H]3CCS(=O)(=O)C3)c(C)c2c1
CCc1ccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)C[*:1] Cc1ccc2oc(C(=O)N([C@@H]3CCS(=O)(=O)C3)[*:1])c(C)c2c1
CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(-n3nnnc3C)ccc2F)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)Nc2cc(ccc2F)-n2nnnc2C)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(-n3nnnc3C)ccc2F)c1C Cc1nnnn1[*:1] CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(ccc2F)[*:1])c1C
C[C@H](Cl)c1nc2cnccc2n1C[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] C[C@H](Cl)c1nc2cnccc2n1C[*:1]
C[C@H](Cl)c1nc2cnccc2n1C[C@@H]1COCCO1 C[C@H](Cl)[*:1] c1cc2c(cn1)nc(n2C[C@@H]1COCCO1)[*:1]
Cn1cc(S(=O)(=O)N2CCCSc3ccccc32)cn1 Cn1cc(cn1)[*:1] O=S(=O)(N1CCCSc2ccccc21)[*:1]
O=C(c1cnc(Nc2ccccc2)nc1)N1CCC2(CC[NH2+]CC2)CC1 c1ccc(cc1)[*:1] O=C(c1cnc(nc1)N[*:1])N1CCC2(CC[NH2+]CC2)CC1
O=C(c1cnc(Nc2ccccc2)nc1)N1CCC2(CC[NH2+]CC2)CC1 c1ccc(cc1)N[*:1] O=C(c1cnc(nc1)[*:1])N1CCC2(CC[NH2+]CC2)CC1
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 Clc1c[nH]c(c1)[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 CC(C)[*:1] N#C[C@@H](N1CCN(CC1)C(=O)c1cc(Cl)c[nH]1)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 CC(C)[C@@H](C#N)[*:1] O=C(c1cc(Cl)c[nH]1)N1CCN(CC1)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1O CCS(=O)(=O)[*:1] C[C@@H](C[*:1])NC(=O)N[C@H]1CCCC[C@@H]1O
CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1O CCS(=O)(=O)C[*:1] C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1O)[*:1]
O=C(NCc1ccccc1Cl)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 Clc1ccccc1[*:1] O=C(NC[*:1])[C@@H]1CS[C@H]2c3ccccc3C(=O)N21
O=C(NCc1ccccc1Cl)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 Clc1ccccc1C[*:1] O=C(N[*:1])[C@@H]1CS[C@H]2c3ccccc3C(=O)N21
CCCN(CC1CC[NH2+]CC1)C(=O)c1ccccc1SC CCC[*:1] CSc1ccccc1C(=O)N(CC1CC[NH2+]CC1)[*:1]
C[C@H]1CCC[C@@H](OC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 O=S(=O)(N1CCCC1)[*:1] C[C@H]1CCC[C@H](C1)OC(=O)Cc1ccc(s1)[*:1]
O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(=O)c2ccccc2o1 c1ccc(cc1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1cc(=O)c2ccccc2o1
O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(=O)c2ccccc2o1 C1CN(CCO1)[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])c1cc(=O)c2ccccc2o1
CCCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl CCCNC(=O)[*:1] O=S(=O)(NCC[*:1])c1c(Cl)cccc1Cl
CCCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl CCC[*:1] O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N[*:1]
CC[C@H]1CN(C(=O)c2cc(OC)ccn2)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@@H]1[*:1])C(=O)c1cc(ccn1)OC
CC[C@H]1CN(C(=O)c2cc(OC)ccn2)CC[C@H]1c1ccccc1 COc1ccnc(c1)[*:1] CC[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)[*:1]
CC(=O)NCCCC(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 CC(=O)NCCC[*:1] O=C(N1CCc2c(C1)nc([nH]c2=O)-c1ccccn1)[*:1]
CC(=O)NCCCC(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 c1ccc(nc1)[*:1] CC(=O)NCCCC(=O)N1CCc2c(C1)nc([nH]c2=O)[*:1]
CC(=O)NCCCC(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 CC(=O)N[*:1] O=C(CCC[*:1])N1CCc2c(C1)nc([nH]c2=O)-c1ccccn1
CC(=O)NCCCC(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 CC(=O)NC[*:1] O=C(CC[*:1])N1CCc2c(C1)nc([nH]c2=O)-c1ccccn1
CC(=O)NCCCC(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 CC(=O)NCC[*:1] O=C(C[*:1])N1CCc2c(C1)nc([nH]c2=O)-c1ccccn1
Cc1cccc(C2(C(=O)NC3CC[NH+](CC(N)=O)CC3)CCCC2)c1 Cc1cccc(c1)[*:1] NC(=O)C[NH+]1CCC(CC1)NC(=O)C1(CCCC1)[*:1]
Cc1cccc(C2(C(=O)NC3CC[NH+](CC(N)=O)CC3)CCCC2)c1 NC(=O)[*:1] Cc1cccc(c1)C1(CCCC1)C(=O)NC1CC[NH+](CC1)C[*:1]
Cc1cccc(C2(C(=O)NC3CC[NH+](CC(N)=O)CC3)CCCC2)c1 NC(=O)C[*:1] Cc1cccc(c1)C1(CCCC1)C(=O)NC1CC[NH+](CC1)[*:1]
NC(=O)c1ccc(NCc2cc(Cl)cs2)cc1Cl NC(=O)[*:1] Clc1csc(c1)CNc1ccc(c(Cl)c1)[*:1]
NC(=O)c1ccc(NCc2cc(Cl)cs2)cc1Cl Clc1csc(c1)[*:1] NC(=O)c1ccc(cc1Cl)NC[*:1]
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCN1C(=O)CCC1=O O=C1CCC(=O)N1C[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)C[*:1])[N+](=O)[O-]
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCN1C(=O)CCC1=O O=[N+]([O-])[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)CCN1C(=O)CCC1=O)[*:1]
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCN1C(=O)CCC1=O O=C1CCC(=O)N1[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)CC[*:1])[N+](=O)[O-]
Cc1cc(C(=O)N(C)C/C(N)=N/O)sc1Br N/C(=N\O)[*:1] Cc1cc(sc1Br)C(=O)N(C)C[*:1]
Cc1cc(C(=O)N(C)C/C(N)=N/O)sc1Br N/C(C[*:1])=N\O Cc1cc(sc1Br)C(=O)N(C)[*:1]
CC(C)c1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccn3)C2=O)cc1 c1ccc(nc1)[*:1] CC(C)c1ccc(cc1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CC(C)c1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccn3)C2=O)cc1 CC(C)[*:1] C[C@@]1(NC(=O)N(CC(=O)c2ccc(cc2)[*:1])C1=O)c1ccccn1
Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2ccccc21 NC(=O)[*:1] Cn1c(cc2ccccc21)C(=O)N1CCC(CC1)[*:1]
CC(C)(C)OC(=O)CCSc1nnc(-c2ccco2)n1N CC(C)(C)OC(=O)[*:1] Nn1c(nnc1-c1ccco1)SCC[*:1]
CC(C)(C)OC(=O)CCSc1nnc(-c2ccco2)n1N CC(C)(C)[*:1] Nn1c(nnc1-c1ccco1)SCCC(=O)O[*:1]
CC(C)(C)OC(=O)CCSc1nnc(-c2ccco2)n1N c1coc(c1)[*:1] CC(C)(C)OC(=O)CCSc1nnc(n1N)[*:1]
O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 O=C(NCC1CC1)[*:1] O=C(c1cccc2ccccc12)N1CCC[C@H](C1)[*:1]
O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 C1CC1C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1cccc2ccccc12
O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 C1CC1[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)c1cccc2ccccc12
COc1ccccc1/C=C/CN1CCN(C(=O)c2ccccc2O)CC1 Oc1ccccc1[*:1] COc1ccccc1/C=C/CN1CCN(CC1)C(=O)[*:1]
COc1ccccc1/C=C/CN1CCN(C(=O)c2ccccc2O)CC1 COc1ccccc1[*:1] O=C(c1ccccc1O)N1CCN(CC=C[*:1])CC1
Nc1nc(NCc2ccc3c(c2)CCC3)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Nc1nc(cc(n1)[*:1])NCc1ccc2CCCc2c1
Cn1c(=S)n(CCSc2nc3ccccc3n2-c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] Cn1c(=S)n(CCSc2nc3ccccc3n2[*:1])c2ccccc21
COc1ccc(Br)cc1C(=O)NC(=S)NC1CCCCC1 C1CCC(CC1)[*:1] COc1ccc(Br)cc1C(=O)NC(=S)N[*:1]
C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1[O-])c1ccc2c(c1)OCCO2 FC(F)(F)[*:1] C[C@@H](NC(=O)c1ccc(nc1[O-])[*:1])c1ccc2OCCOc2c1
Cc1ccc(Nc2ccncc2[N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] Cc1ccc(Nc2ccncc2[*:1])c(Cl)c1
N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)c1 N#Cc1cccc(c1)C[*:1] O=C(Nc1cccc(c1)O[*:1])c1ccc(Cl)cc1[N+](=O)[O-]
N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)c1 N#Cc1cccc(c1)[*:1] O=C(Nc1cccc(c1)OC[*:1])c1ccc(Cl)cc1[N+](=O)[O-]
N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] N#Cc1cccc(c1)COc1cccc(c1)NC(=O)c1ccc(Cl)cc1[*:1]
C[C@@H](NC(=O)N[C@H]1CCC[C@@H]1C(N)=O)c1ccccc1Cl NC(=O)[*:1] C[C@@H](NC(=O)N[C@H]1CCC[C@H]1[*:1])c1ccccc1Cl
C[C@@H](NC(=O)N[C@H]1CCC[C@@H]1C(N)=O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)N[C@H]1CCC[C@@H]1C(N)=O)[*:1]
Cc1cc(C(=O)CN2CCO[C@@H](C(N)=O)C2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)CN2CCO[C@H](C2)C(N)=O)c(C)n1[*:1]
Cc1cc(C(=O)CN2CCO[C@@H](C(N)=O)C2)c(C)n1C1CC1 NC(=O)[*:1] Cc1cc(C(=O)CN2CCO[C@@H](C2)[*:1])c(C)n1C1CC1
CCCc1nn(C)c2c1[nH]c(=S)n2-c1cc(C)cc(F)c1 CCC[*:1] Cc1cc(F)cc(c1)-n1c(=S)[nH]c2c(nn(C)c21)[*:1]
COc1ccc(CNC(=O)N2CCN(CCn3cc[nH+]c3-c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)N1CCN(CC1)CCn1cc[nH+]c1[*:1]
COc1ccc(CNC(=O)N2CCN(CCn3cc[nH+]c3-c3ccccc3)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])N1CCN(CC1)CCn1cc[nH+]c1-c1ccccc1
COc1ccc(CNC(=O)N2CCN(CCn3cc[nH+]c3-c3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])N1CCN(CC1)CCn1cc[nH+]c1-c1ccccc1
Nc1cc(N)nc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1 Nc1cc(N)nc(n1)S[*:1] O=C(C[*:1])N1N=C(C[C@H]1c1ccco1)c1ccc(Cl)cc1
Nc1cc(N)nc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1 Clc1ccc(cc1)[*:1] Nc1cc(N)nc(n1)SCC(=O)N1N=C(C[C@H]1c1ccco1)[*:1]
Nc1cc(N)nc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1 c1coc(c1)[*:1] Nc1cc(N)nc(n1)SCC(=O)N1N=C(C[C@@H]1[*:1])c1ccc(Cl)cc1
Nc1cc(N)nc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1 Nc1cc(N)nc(n1)[*:1] O=C(CS[*:1])N1N=C(C[C@H]1c1ccco1)c1ccc(Cl)cc1
OC[C@@H](O)[C@@H]1O[C@@H](c2ccccc2)O[C@H](CO)[C@@H]1O c1ccc(cc1)[*:1] OC[C@@H](O)[C@@H]1O[C@@H](O[C@H](CO)[C@@H]1O)[*:1]
OC[C@@H](O)[C@@H]1O[C@@H](c2ccccc2)O[C@H](CO)[C@@H]1O OC[C@@H](O)[*:1] OC[C@H]1O[C@@H](O[C@H]([C@H]1O)[*:1])c1ccccc1
COc1ccc(NC(=O)[C@@H]2CCC(=O)N2C(=O)OCc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1
COc1ccc(NC(=O)[C@@H]2CCC(=O)N2C(=O)OCc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OC[*:1]
COc1ccc(NC(=O)[C@@H]2CCC(=O)N2C(=O)OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CCC(=O)N1C(=O)O[*:1]
O=C(Cc1cccc2cccnc12)NCc1n[nH]c(=S)n1C1CC1 C1CC1[*:1] O=C(Cc1cccc2cccnc12)NCc1n[nH]c(=S)n1[*:1]
Cc1ccoc1C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 Cc1ccoc1[*:1] O=C(N1C[C@H](Cc2ccccc21)n1cccn1)[*:1]
Cc1ccoc1C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 c1cnn(c1)[*:1] Cc1ccoc1C(=O)N1C[C@@H](Cc2ccccc21)[*:1]
Cc1csc(C[C@@H](Cc2ccc(Br)cc2)C(=O)[O-])n1 O=C([O-])[*:1] Cc1csc(C[C@@H](Cc2ccc(Br)cc2)[*:1])n1
Cc1csc(C[C@@H](Cc2ccc(Br)cc2)C(=O)[O-])n1 Cc1csc(n1)[*:1] O=C([O-])[C@H](Cc1ccc(Br)cc1)C[*:1]
CCN(CCC(=O)OC)C(=O)c1cc(-c2csc(C)n2)cn1C COC(=O)CC[*:1] CCN(C(=O)c1cc(cn1C)-c1csc(C)n1)[*:1]
CCN(CCC(=O)OC)C(=O)c1cc(-c2csc(C)n2)cn1C COC(=O)C[*:1] CCN(C[*:1])C(=O)c1cc(cn1C)-c1csc(C)n1
CCN(CCC(=O)OC)C(=O)c1cc(-c2csc(C)n2)cn1C COC(=O)[*:1] CCN(CC[*:1])C(=O)c1cc(cn1C)-c1csc(C)n1
CCN(CCC(=O)OC)C(=O)c1cc(-c2csc(C)n2)cn1C Cc1nc(cs1)[*:1] CCN(CCC(=O)OC)C(=O)c1cc(cn1C)[*:1]
O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccsc1 c1cc(cs1)[*:1] O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[*:1]
CC(C)OCCCNC(=O)N1CC[C@@H](C)[C@H](O)C1 CC(C)O[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCCC[*:1]
CC(C)OCCCNC(=O)N1CC[C@@H](C)[C@H](O)C1 CC(C)OCC[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NC[*:1]
CC(C)OCCCNC(=O)N1CC[C@@H](C)[C@H](O)C1 CC(C)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCCCO[*:1]
CC(C)OCCCNC(=O)N1CC[C@@H](C)[C@H](O)C1 CC(C)OC[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)NCC[*:1]
C[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3F)c2)CC1 Fc1ccccc1[*:1] C[C@@H](O)CN1CCN(CC1)C(=O)c1cnn(c1)[*:1]
C[C@@H](O)CN1CCN(C(=O)c2cnn(-c3ccccc3F)c2)CC1 C[C@@H](O)C[*:1] O=C(c1cnn(c1)-c1ccccc1F)N1CCN(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)c2cc(F)ccc2Br)CC1 CNC(=O)C[*:1] O=C(c1cc(F)ccc1Br)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)c2cc(F)ccc2Br)CC1 CNC(=O)[*:1] O=C(c1cc(F)ccc1Br)N1CCC(CC1)C[*:1]
CCOc1ccc(CC(=O)NC(C2CC2)C2CC2)cc1 C1CC1[*:1] CCOc1ccc(cc1)CC(=O)NC(C1CC1)[*:1]
CCOc1ccc(CC(=O)NC(C2CC2)C2CC2)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])NC(C1CC1)C1CC1
C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)c2ccccc2)CC1 NC(=O)NC(=O)[*:1] C[C@H](N1CCN(CC1)C(=O)c1ccccc1)[*:1]
C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](C(=O)NC(N)=O)N1CCN(CC1)C(=O)[*:1]
Cc1sc2ncn(Cc3coc(-c4ccccc4)n3)c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2ncn(Cc3coc(n3)[*:1])c(=O)c2c1C
COc1ccc2c(c1)OCC(C(=O)NNC(=O)c1ccccc1Cl)=C2 Clc1ccccc1[*:1] COc1ccc2C=C(COc2c1)C(=O)NNC(=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)CSc1cn[nH]n1 c1n[nH]nc1[*:1] Cc1ccc(Cl)cc1NC(=O)CS[*:1]
Cc1ccc(Cl)cc1NC(=O)CSc1cn[nH]n1 c1n[nH]nc1S[*:1] Cc1ccc(Cl)cc1NC(=O)C[*:1]
O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCN(c2cccc[nH+]2)CC1 C1CO[C@H](C1)CO[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCN(c2cccc[nH+]2)CC1 C1CO[C@H](C1)[*:1] O=C(c1cccc(c1)OC[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCN(c2cccc[nH+]2)CC1 C1CO[C@H](C1)C[*:1] O=C(c1cccc(c1)O[*:1])N1CCN(CC1)c1cccc[nH+]1
C/C(=N/N1CCN(c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C(=N/N1CCN(CC1)c1ccc(Cl)cc1)c1cccc(c1)[*:1]
C/C(=N/N1CCN(c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] C/C(=N/N1CCN(CC1)[*:1])c1cccc(c1)[N+](=O)[O-]
CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cc(OC)c(OC)cc1OC CCOC(=O)[*:1] COc1cc(OC)c(cc1OC)[C@@H]1[C@H](C(=O)Nc2nc3ccccc3n21)[*:1]
C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc(F)cc1[*:1]
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)C1 c1cnn(c1)[*:1] CC[C@H](C)C(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)C1 CC[C@H](C)[*:1] O=C(Nc1ccc(c(Cl)c1)-n1cccn1)[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)OC)n2)c1 CO[C@@H](C)[*:1] COc1ccc(OC)c(c1)-c1csc(n1)NC(=O)[*:1]
COc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)OC)n2)c1 CO[C@@H](C)C(=O)N[*:1] COc1ccc(OC)c(c1)-c1csc(n1)[*:1]
O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 Clc1ccc(c(Cl)c1)[*:1] O=C(NN=C[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCCN3CCOCC3)[C@@H]4C2=O)no1 C1CN(CCO1)[*:1] Cc1cc(no1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCCC[*:1])[C@@H]3C1=O
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCCN3CCOCC3)[C@@H]4C2=O)no1 C(CN1CCOCC1)C[*:1] Cc1cc(no1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N[*:1])[C@@H]3C1=O
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCCN3CCOCC3)[C@@H]4C2=O)no1 C1CN(CCO1)CC[*:1] Cc1cc(no1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC[*:1])[C@@H]3C1=O
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCCN3CCOCC3)[C@@H]4C2=O)no1 Cc1cc(no1)[*:1] O=C(NCCCN1CCOCC1)[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCCN3CCOCC3)[C@@H]4C2=O)no1 C1CN(CCO1)C[*:1] Cc1cc(no1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCC[*:1])[C@@H]3C1=O
Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@H](CO)C(C)C c1ccc(cc1)C[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N([C@H](CO)C(C)C)[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@H](CO)C(C)C c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N(C[*:1])[C@H](CO)C(C)C
Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@H](CO)C(C)C CC(C)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@H](CO)[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccccc1)[C@H](CO)C(C)C Cc1nn(C)c(C)c1[*:1] CC(C)[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)[*:1]
CC(C)n1c[nH+]cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] O=C([O-])[*:1] CC(C)n1c[nH+]cc1[C@@H](NC(=O)OC(C)(C)C)[*:1]
CC(C)n1c[nH+]cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] CC(C)[*:1] CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1c[nH+]cn1[*:1]
CC(C)n1c[nH+]cc1[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] CC(C)(C)[*:1] CC(C)n1c[nH+]cc1[C@@H](NC(=O)O[*:1])C(=O)[O-]
Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C Cc1nn(C)cc1[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)N[C@@H](C)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C CC(C)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H]1C[C@H](C)CC[C@H]1[*:1]
COC(=O)NNC(=O)CCC(=O)[O-] O=C([O-])C[*:1] COC(=O)NNC(=O)C[*:1]
COC(=O)NNC(=O)CCC(=O)[O-] O=C([O-])[*:1] COC(=O)NNC(=O)CC[*:1]
CC[C@H](C)Sc1nnc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)s1 CC[C@H](C)S[*:1] CN(C)C(=O)N1CCC[C@@H](C1)C(=O)Nc1nnc(s1)[*:1]
CC[C@H](C)Sc1nnc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)s1 CC[C@H](C)[*:1] CN(C)C(=O)N1CCC[C@@H](C1)C(=O)Nc1nnc(S[*:1])s1
Cc1ccc(N2C(=O)[C@@H](C(C)C)NC(=O)[C@H]2C)c(C)n1 CC(C)[*:1] Cc1ccc(c(C)n1)N1C(=O)[C@@H](NC(=O)[C@H]1C)[*:1]
COc1cc(OC)c(C2=CCN(c3ccc(C#N)cc3F)CC2)c(OC)c1 N#Cc1ccc(c(F)c1)[*:1] COc1cc(OC)c(C2=CCN(CC2)[*:1])c(c1)OC
Cc1csc(C[C@H](N)c2ccc3nccnc3c2)n1 Cc1csc(n1)[*:1] N[C@@H](C[*:1])c1ccc2nccnc2c1
CC(C)c1nncn1CCNC(=O)[C@@]1(C)CCCc2ccccc21 CC(C)[*:1] C[C@@]1(CCCc2ccccc21)C(=O)NCCn1cnnc1[*:1]
CC(C)c1nncn1CCNC(=O)[C@@]1(C)CCCc2ccccc21 CC(C)c1nncn1[*:1] C[C@@]1(CCCc2ccccc21)C(=O)NCC[*:1]
Cn1c(CN2CCOC[C@H]2CC(=O)[O-])nc2ccccc21 O=C([O-])C[*:1] Cn1c(CN2CCOC[C@@H]2[*:1])nc2ccccc21
Cn1c(CN2CCOC[C@H]2CC(=O)[O-])nc2ccccc21 O=C([O-])[*:1] Cn1c(CN2CCOC[C@H]2C[*:1])nc2ccccc21
COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H](C)NS(=O)(=O)C[*:1]
COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)[C@@H](C)NS(=O)(=O)[*:1]
C[C@@H](Nc1nc2ccc(F)cn2n1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](Nc1nc2ccc(F)cn2n1)[*:1]
C[C@@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)N1C[C@@H](C)O[C@H](C)C1 O=S1(=O)CC[C@H](C1)[*:1] C[C@@H](CNC(=O)CS[*:1])N1C[C@@H](C)O[C@H](C)C1
COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)Cn2nc(C)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[*:1])n1
COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)Cn2nc(C)cc2C)cc1 Cc1cc(C)n(C[*:1])n1 COc1ccc(cc1)[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1NC(=O)[*:1]
COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)Cn2nc(C)cc2C)cc1 Cc1cc(C)n(n1)[*:1] COc1ccc(cc1)[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1NC(=O)C[*:1]
CNC(=O)CCNC(=O)c1ccc2c([O-])[nH]c(=S)nc2c1 CNC(=O)[*:1] O=C(NCC[*:1])c1ccc2c([O-])[nH]c(=S)nc2c1
CNC(=O)CCNC(=O)c1ccc2c([O-])[nH]c(=S)nc2c1 CNC(=O)CC[*:1] O=C(N[*:1])c1ccc2c([O-])[nH]c(=S)nc2c1
CNC(=O)CCNC(=O)c1ccc2c([O-])[nH]c(=S)nc2c1 CNC(=O)C[*:1] O=C(NC[*:1])c1ccc2c([O-])[nH]c(=S)nc2c1
C/C=C/C=C/C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 CC=C[*:1] O=C(C=C[*:1])NC[C@@H]1CCN(C1)c1ccc(F)c(F)c1
C/C=C/C=C/C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 C/C=C/C=C[*:1] O=C(NC[C@@H]1CCN(C1)c1ccc(F)c(F)c1)[*:1]
Cc1ccc(CN(C)C(=O)c2cccc(CN3C(=O)CSC3=O)c2)o1 O=C1CSC(=O)N1[*:1] Cc1ccc(CN(C)C(=O)c2cccc(c2)C[*:1])o1
Cc1ccc(CN(C)C(=O)c2cccc(CN3C(=O)CSC3=O)c2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)c1cccc(c1)CN1C(=O)CSC1=O)[*:1]
Cc1ccc(CN(C)C(=O)c2cccc(CN3C(=O)CSC3=O)c2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)CN1C(=O)CSC1=O
Cc1ccc(CN(C)C(=O)c2cccc(CN3C(=O)CSC3=O)c2)o1 O=C1CSC(=O)N1C[*:1] Cc1ccc(CN(C)C(=O)c2cccc(c2)[*:1])o1
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)c1C Cc1cc(C)c(C)c(c1C)[*:1] O=C(NCc1ccccc1Cl)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)c1C Clc1ccccc1C[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)c1C Clc1ccccc1[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCO[C@@H](C1)[*:1]
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Br)cc2)C1 O=[N+]([O-])[*:1] O=C([C@@H]1C[C@H]1[*:1])N1CCO[C@H](C1)c1ccc(Br)cc1
CN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 CC(C)(C)OC(=O)N[*:1] CN(C(=O)NCC(C)(C)[*:1])[C@@H]1CCc2ccccc21
CN(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 CC(C)(C)[*:1] CN(C(=O)NCC(C)(C)NC(=O)O[*:1])[C@@H]1CCc2ccccc21
CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1cccc(C(F)(F)F)c1)C2=O FC(F)(F)c1cccc(c1)C[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC(=O)N[*:1])CC=21)c1ccccc1Cl
CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1cccc(C(F)(F)F)c1)C2=O FC(F)(F)c1cccc(c1)[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC(=O)NC[*:1])CC=21)c1ccccc1Cl
CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1cccc(C(F)(F)F)c1)C2=O Clc1ccccc1[*:1] CN1C(=O)N[C@H](C2C(=O)N(CC(=O)NCc3cccc(c3)C(F)(F)F)CC=21)[*:1]
CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1cccc(C(F)(F)F)c1)C2=O FC(F)(F)[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC(=O)NCc3cccc(c3)[*:1])CC=21)c1ccccc1Cl
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CCC#N)CC1 O=[N+]([O-])[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)N1CCN(CCC#N)CC1
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CCC#N)CC1 N#CCC[*:1] C[C@H](Oc1ccc(cc1)[N+](=O)[O-])C(=O)N1CCN(CC1)[*:1]
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CCC#N)CC1 N#CC[*:1] C[C@H](Oc1ccc(cc1)[N+](=O)[O-])C(=O)N1CCN(CC1)C[*:1]
CCn1c(C2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)nn(C)c1=O c1cn(cn1)[*:1] CCn1c(nn(C)c1=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCn1c(C2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)nn(C)c1=O CCn1c(nn(C)c1=O)[*:1] O=C(c1ccc(cc1)-n1ccnc1)N1CCC(CC1)[*:1]
CCC[NH2+][C@@H](C(C)C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCC[NH2+][C@@H](C(C)C)[C@H]1CCC[C@H](C1)[*:1]
CCC[NH2+][C@@H](C(C)C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CCC[*:1] CC(C)[C@H]([NH2+][*:1])[C@H]1CCC[C@@H](C1)S(C)(=O)=O
CCC[NH2+][C@@H](C(C)C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)[*:1] CCC[NH2+][C@@H]([C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
O=C(COC(=O)Cc1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(COC(=O)Cc1ccc(Cl)cc1)NNC(=O)[*:1]
O=C(COC(=O)Cc1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1 Clc1ccc(cc1)C[*:1] O=C(COC(=O)[*:1])NNC(=O)c1ccc(Br)cc1
O=C(COC(=O)Cc1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1 Clc1ccc(cc1)[*:1] O=C(COC(=O)C[*:1])NNC(=O)c1ccc(Br)cc1
Cc1cccc(C)c1-n1c(C)nn(CC2CC2)c1=O C1CC1C[*:1] Cc1cccc(C)c1-n1c(C)nn(c1=O)[*:1]
Cc1cccc(C)c1-n1c(C)nn(CC2CC2)c1=O C1CC1[*:1] Cc1cccc(C)c1-n1c(C)nn(C[*:1])c1=O
C=CCOc1cccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c1 Fc1ccc(cc1)[*:1] C=CCOc1cccc(/C=C2\N=C(OC2=O)[*:1])c1
C=CCOc1cccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c1 C=CC[*:1] O=C1OC(=N/C1=C\c1cccc(c1)O[*:1])c1ccc(F)cc1
C=CCOc1cccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c1 C=CCO[*:1] O=C1OC(=N/C1=C\c1cccc(c1)[*:1])c1ccc(F)cc1
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 O=C1CCC(=O)N1[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)c1cccc(c1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 CC(C)[*:1] O=C1CCC(=O)N1c1cccc(c1)C(=O)N(C[C@H]1CCCCO1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)c1cccc(c1)N1C(=O)CCC1=O)[*:1]
Cc1cccc(C2=CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)c1 C1CC1[*:1] Cc1cccc(c1)C1=CCN(CC1)C(=O)C1CCN(CC1)C(=O)[*:1]
Cc1cccc(C2=CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(C1CCN(CC1)C(=O)C1CC1)N1CC=C(CC1)[*:1]
C[C@H](NC(=O)CN1CCN(c2ccccc2F)C1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CN1CCN(C1=O)c1ccccc1F)[*:1]
C[C@H](NC(=O)CN1CCN(c2ccccc2F)C1=O)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CN1CCN(C1=O)c1ccccc1F)N[*:1]
C[C@H](NC(=O)CN1CCN(c2ccccc2F)C1=O)c1ccccc1 Fc1ccccc1[*:1] C[C@H](NC(=O)CN1CCN(C1=O)[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NCc1ccc(cc1)-n1cccn1)[*:1]
Cc1ccc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)cc1 c1cnn(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)[*:1]
O=C(NCCCO)C(=O)NCc1ccc2c(c1)OCO2 OCC[*:1] O=C(NCc1ccc2OCOc2c1)C(=O)NC[*:1]
O=C(NCCCO)C(=O)NCc1ccc2c(c1)OCO2 OCCC[*:1] O=C(NCc1ccc2OCOc2c1)C(=O)N[*:1]
CN1CC[NH+](CCCCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 O=[N+]([O-])[*:1] CN1CC[NH+](CCCCNc2ccc(c3cccnc23)[*:1])CC1
CNC(=O)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1Cl O=C([O-])C[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)CC1(CCCCC1)[*:1]
CNC(=O)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1Cl O=C([O-])[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)CC1(CCCCC1)C[*:1]
CNC(=O)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1Cl CNC(=O)[*:1] O=C([O-])CC1(CCCCC1)CC(=O)Nc1ccc(c(Cl)c1)[*:1]
O=c1c([N+](=O)[O-])c(N2CC[NH+](CCOc3ccccc3)CC2)c2ccccc2n1-c1ccccc1 c1ccc(cc1)OCC[*:1] O=c1c(c(c2ccccc2n1-c1ccccc1)N1CC[NH+](CC1)[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(N2CC[NH+](CCOc3ccccc3)CC2)c2ccccc2n1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c(c(c2ccccc2n1-c1ccccc1)N1CC[NH+](CCO[*:1])CC1)[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(N2CC[NH+](CCOc3ccccc3)CC2)c2ccccc2n1-c1ccccc1 O=[N+]([O-])[*:1] O=c1c(c(c2ccccc2n1-c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1)[*:1]
O=c1c([N+](=O)[O-])c(N2CC[NH+](CCOc3ccccc3)CC2)c2ccccc2n1-c1ccccc1 c1ccc(cc1)O[*:1] O=c1c(c(c2ccccc2n1-c1ccccc1)N1CC[NH+](CC1)CC[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(N2CC[NH+](CCOc3ccccc3)CC2)c2ccccc2n1-c1ccccc1 c1ccc(cc1)OC[*:1] O=c1c(c(c2ccccc2n1-c1ccccc1)N1CC[NH+](CC1)C[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(N2CC[NH+](CCOc3ccccc3)CC2)c2ccccc2n1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c(c(c2ccccc2n1[*:1])N1CC[NH+](CCOc2ccccc2)CC1)[N+](=O)[O-]
N#Cc1ccc(Cl)c(NC(=O)NC[C@H](O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NC[C@H](O)[*:1]
COCCOc1ccc(NC(=O)N2C[C@H](CO)CC[C@@H]2C)cc1F COC[*:1] C[C@H]1CC[C@@H](CO)CN1C(=O)Nc1ccc(OC[*:1])c(F)c1
COCCOc1ccc(NC(=O)N2C[C@H](CO)CC[C@@H]2C)cc1F COCC[*:1] C[C@H]1CC[C@@H](CO)CN1C(=O)Nc1ccc(O[*:1])c(F)c1
COCCOc1ccc(NC(=O)N2C[C@H](CO)CC[C@@H]2C)cc1F COCCO[*:1] C[C@H]1CC[C@@H](CO)CN1C(=O)Nc1ccc(c(F)c1)[*:1]
COc1ccccc1[C@H](NC(=O)c1cc(C)ccc1F)c1ccccn1 COc1ccccc1[*:1] Cc1ccc(F)c(c1)C(=O)N[C@H](c1ccccn1)[*:1]
COc1ccccc1[C@H](NC(=O)c1cc(C)ccc1F)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)c1cc(C)ccc1F)[*:1]
COc1ccccc1[C@H](NC(=O)c1cc(C)ccc1F)c1ccccn1 Cc1ccc(F)c(c1)[*:1] COc1ccccc1[C@H](NC(=O)[*:1])c1ccccn1
O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(OC[C@@H]2CCCO2)cc1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)OC[C@@H]1CCCO1
CC(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] CC(=O)c1cccc(c1)NC(=O)Cc1ccc(cc1)[*:1]
CC(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 CC(=O)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])Nc1cccc(c1)[*:1]
C[C@]1(c2ccc(CNC(=O)N(CC3CC3)C3CCCCC3)cc2)NC(=O)NC1=O C1CC1[*:1] C[C@@]1(NC(=O)NC1=O)c1ccc(cc1)CNC(=O)N(C[*:1])C1CCCCC1
C[C@]1(c2ccc(CNC(=O)N(CC3CC3)C3CCCCC3)cc2)NC(=O)NC1=O C1CC1C[*:1] C[C@@]1(NC(=O)NC1=O)c1ccc(cc1)CNC(=O)N(C1CCCCC1)[*:1]
C[C@]1(c2ccc(CNC(=O)N(CC3CC3)C3CCCCC3)cc2)NC(=O)NC1=O C1CCC(CC1)[*:1] C[C@@]1(NC(=O)NC1=O)c1ccc(cc1)CNC(=O)N(CC1CC1)[*:1]
N#Cc1cc(F)cc(-c2ncnc(Cl)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1cc(F)cc(c1)-c1ncnc(Cl)c1[*:1]
CC(C)c1nc([C@H]2NC(=O)c3ccc(Cl)cc3N2)cs1 CC(C)[*:1] O=C1N[C@@H](Nc2cc(Cl)ccc21)c1csc(n1)[*:1]
Clc1cccc(-c2cnc(CNC3CC[NH+](Cc4ccccc4)CC3)s2)c1 Clc1cccc(c1)[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)NCc1ncc(s1)[*:1]
Clc1cccc(-c2cnc(CNC3CC[NH+](Cc4ccccc4)CC3)s2)c1 c1ccc(cc1)C[*:1] Clc1cccc(c1)-c1cnc(CNC2CC[NH+](CC2)[*:1])s1
Clc1cccc(-c2cnc(CNC3CC[NH+](Cc4ccccc4)CC3)s2)c1 c1ccc(cc1)[*:1] Clc1cccc(c1)-c1cnc(CNC2CC[NH+](CC2)C[*:1])s1
CCOc1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(C=O)c1 Clc1cccc(c1Cl)[*:1] CCOc1ccc(OCC(=O)N[*:1])c(C=O)c1
CCOc1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(C=O)c1 CCO[*:1] O=Cc1cc(ccc1OCC(=O)Nc1cccc(Cl)c1Cl)[*:1]
COc1ccc2c(C)c(CCC(=O)Nc3cc(F)ccc3Sc3nccn3C)c(=O)oc2c1 Cn1ccnc1[*:1] COc1ccc2c(C)c(CCC(=O)Nc3cc(F)ccc3S[*:1])c(=O)oc2c1
COc1ccc2c(C)c(CCC(=O)Nc3cc(F)ccc3Sc3nccn3C)c(=O)oc2c1 Cn1ccnc1S[*:1] COc1ccc2c(C)c(CCC(=O)Nc3cc(F)ccc3[*:1])c(=O)oc2c1
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1sc(-c2cnn(C)c2)nc1C Cn1cc(cn1)[*:1] COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1sc(nc1C)[*:1]
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1sc(-c2cnn(C)c2)nc1C COC(=O)[*:1] Cc1nc(sc1C(=O)N[C@@H]1CCCC[C@H]1[*:1])-c1cnn(C)c1
C[C@H](Oc1ccccc1F)C(=O)NC1CCN(c2ncc3c(n2)CCOC3)CC1 Fc1ccccc1O[*:1] C[C@H](C(=O)NC1CCN(CC1)c1ncc2COCCc2n1)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NC1CCN(c2ncc3c(n2)CCOC3)CC1 Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NC1CCN(CC1)c1ncc2COCCc2n1
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(F)ccc1O CC(C)[*:1] Cc1ccc(cc1NC(=O)c1cc(F)ccc1O)NC(=O)[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(F)ccc1O CC(C)C(=O)N[*:1] Cc1ccc(cc1NC(=O)c1cc(F)ccc1O)[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(F)ccc1O Oc1ccc(F)cc1[*:1] Cc1ccc(cc1NC(=O)[*:1])NC(=O)C(C)C
C[C@@H](CNC(=O)c1cccc(OCc2cccs2)c1)N1CC[NH+](C)CC1 c1csc(c1)CO[*:1] C[C@@H](CNC(=O)c1cccc(c1)[*:1])N1CC[NH+](C)CC1
C[C@@H](CNC(=O)c1cccc(OCc2cccs2)c1)N1CC[NH+](C)CC1 c1csc(c1)[*:1] C[C@@H](CNC(=O)c1cccc(c1)OC[*:1])N1CC[NH+](C)CC1
C[C@@H](CNC(=O)c1cccc(OCc2cccs2)c1)N1CC[NH+](C)CC1 c1csc(c1)C[*:1] C[C@@H](CNC(=O)c1cccc(c1)O[*:1])N1CC[NH+](C)CC1
CCc1cccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1O O=[N+]([O-])[*:1] CCc1cccc(C(=O)N2CCN(CC2)Cc2cccc(c2)[*:1])c1O
CCc1cccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1O CCc1cccc(c1O)[*:1] O=C(N1CCN(CC1)Cc1cccc(c1)[N+](=O)[O-])[*:1]
CCc1cccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1O O=[N+]([O-])c1cccc(c1)[*:1] CCc1cccc(C(=O)N2CCN(CC2)C[*:1])c1O
N#Cc1ccc(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)NCC(=O)Nc1ccc(cc1)O[*:1]
N#Cc1ccc(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 FC(F)(F)O[*:1] N#Cc1ccc(cc1)NCC(=O)Nc1ccc(cc1)[*:1]
N#Cc1ccc(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CN[*:1])Nc1ccc(cc1)OC(F)(F)F
CC(=O)[C@@H](NC(=O)CSc1nnc2n1CCCCC2)C(C)C CC(C)[*:1] CC(=O)[C@@H](NC(=O)CSc1nnc2CCCCCn21)[*:1]
CC(=O)[C@@H](NC(=O)CSc1nnc2n1CCCCC2)C(C)C CC(=O)[*:1] CC(C)[C@H](NC(=O)CSc1nnc2CCCCCn21)[*:1]
CC(=O)[C@@H](NC(=O)CSc1nnc2n1CCCCC2)C(C)C CC(=O)[C@@H](C(C)C)[*:1] O=C(CSc1nnc2CCCCCn21)N[*:1]
Cc1cccc(C)c1OC1CN(C(=O)c2cccn2C)C1 Cn1cccc1[*:1] Cc1cccc(C)c1OC1CN(C1)C(=O)[*:1]
O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 c1cnc(nc1)[*:1] O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(CC1)[*:1])c1ccc(Cl)cc1
O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(CC1)c1ncccn1)[*:1]
C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@@H](CC)c1nc(C)cs1 Cc1csc(n1)[*:1] CCC[C@@](C)(CO)NC(=O)N[C@@H](CC)[*:1]
CCC[C@@](C)(CO)NC(=O)N[C@@H](CC)c1nc(C)cs1 CCC[*:1] CC[C@H](NC(=O)N[C@@](C)(CO)[*:1])c1nc(C)cs1
Cc1cc(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)no1 Cc1cc(no1)[*:1] O=C(N1CC(C1)c1nc(no1)-c1ccccc1)[*:1]
Cc1cc(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)C(=O)N1CC(C1)c1nc(no1)[*:1]
COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)C3=c4ccccc4=[NH+][C@H]3C)n2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@H](C)Sc1nc(n[nH]1)[*:1]
c1ccc(-c2nnc(SCc3nnnn3-c3ccccc3)nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nc(nnc1[*:1])SCc1nnnn1-c1ccccc1
c1ccc(-c2nnc(SCc3nnnn3-c3ccccc3)nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nnc(nc1-c1ccccc1)SCc1nnnn1[*:1]
c1ccc(-c2nnc(SCc3nnnn3-c3ccccc3)nc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nnc(nc1[*:1])SCc1nnnn1-c1ccccc1
CCCn1cc(CNC(=O)Nc2ccccc2OC(F)(F)F)cn1 FC(F)(F)O[*:1] CCCn1cc(cn1)CNC(=O)Nc1ccccc1[*:1]
CCCn1cc(CNC(=O)Nc2ccccc2OC(F)(F)F)cn1 CCC[*:1] O=C(NCc1cnn(c1)[*:1])Nc1ccccc1OC(F)(F)F
CCCn1cc(CNC(=O)Nc2ccccc2OC(F)(F)F)cn1 FC(F)(F)[*:1] CCCn1cc(cn1)CNC(=O)Nc1ccccc1O[*:1]
CCCn1cc(CNC(=O)Nc2ccccc2OC(F)(F)F)cn1 CCCn1cc(cn1)[*:1] O=C(NC[*:1])Nc1ccccc1OC(F)(F)F
O=C([O-])C1=C(C(=O)NCCC2=CCCCC2)CCCC1 O=C([O-])[*:1] O=C(NCCC1=CCCCC1)C1CCCCC=1[*:1]
O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1ccccc1Cl Fc1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)N[*:1])c1ccccc1Cl
O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1ccc(F)cc1)N1CCC(CC1)CNC(=O)[*:1]
CC(=O)Nc1ccc(NC(=O)NC[C@@H](C)C[C@@H](C)O)c(Cl)c1 C[C@@H](O)[*:1] CC(=O)Nc1ccc(NC(=O)NC[C@@H](C)C[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)NC[C@@H](C)C[C@@H](C)O)c(Cl)c1 CC(=O)N[*:1] C[C@H](CNC(=O)Nc1ccc(cc1Cl)[*:1])C[C@@H](C)O
CC(=O)Nc1ccc(NC(=O)NC[C@@H](C)C[C@@H](C)O)c(Cl)c1 C[C@@H](O)C[*:1] CC(=O)Nc1ccc(NC(=O)NC[C@@H](C)[*:1])c(Cl)c1
Cc1ccccc1C(=O)OCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 Cc1ccccc1[*:1] Nc1c(c2nc3ccccc3nc2n1CCOC(=O)[*:1])S(=O)(=O)c1ccccc1
Cc1ccccc1C(=O)OCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 Cc1ccccc1C(=O)O[*:1] Nc1c(c2nc3ccccc3nc2n1CC[*:1])S(=O)(=O)c1ccccc1
Cc1ccccc1C(=O)OCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 O=S(=O)(c1ccccc1)[*:1] Cc1ccccc1C(=O)OCCn1c(N)c(c2nc3ccccc3nc21)[*:1]
Cc1ccccc1C(=O)OCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)OCCn1c(N)c(c2nc3ccccc3nc21)S(=O)(=O)[*:1]
Cc1ccccc1C(=O)OCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 Cc1ccccc1C(=O)OC[*:1] Nc1c(c2nc3ccccc3nc2n1C[*:1])S(=O)(=O)c1ccccc1
Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1 Clc1ccc(c(Cl)c1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)SCC(=O)N[C@H](C)[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1 Cc1cc(no1)[*:1] C[C@H](SCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)N[*:1]
O=C(NCc1nnc2ccccn12)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCc1nnc2ccccn12)C1C[C@H](N(N=1)c1ccccc1)[*:1]
O=C(NCc1nnc2ccccn12)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 c1ccn2c(C[*:1])nnc2c1 O=C(N[*:1])C1C[C@H](c2ccccc2)N(N=1)c1ccccc1
O=C(NCc1nnc2ccccn12)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 c1ccn2c(nnc2c1)[*:1] O=C(NC[*:1])C1C[C@H](c2ccccc2)N(N=1)c1ccccc1
O=C(NCc1nnc2ccccn12)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCc1nnc2ccccn12)C1C[C@H](c2ccccc2)N(N=1)[*:1]
Cc1cccc([C@@H](C)S(=O)(=O)[C@@H](C)c2ncc(C(C)(C)C)o2)c1 Cc1cccc(c1)[*:1] C[C@@H](c1ncc(o1)C(C)(C)C)S(=O)(=O)[C@H](C)[*:1]
Cc1cccc([C@@H](C)S(=O)(=O)[C@@H](C)c2ncc(C(C)(C)C)o2)c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@@H](C)S(=O)(=O)[C@@H](C)c1ncc(o1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)NCc1ccnc(OC(C)(C)C)c1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)NCc1ccnc(c1)OC(C)(C)C)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)NCc1ccnc(c1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)NCc1ccnc(c1)O[*:1]
COc1ccc(C(=O)NNC2=[NH+]C(C)(C)Cc3cc(C)c(C)cc32)cc1 COc1ccc(cc1)[*:1] Cc1cc2CC(C)(C)[NH+]=C(NNC(=O)[*:1])c2cc1C
O=C(N[C@H]1C=C[C@H](C(=O)[O-])C1)c1nnn[n-]1 O=C([O-])[*:1] O=C(N[C@H]1C=C[C@H](C1)[*:1])c1nnn[n-]1
CCNc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-] CCN[*:1] CN(C)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCNc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-] CN(C)C(=O)[*:1] CCNc1ccc(cc1[N+](=O)[O-])[*:1]
CCNc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1ccc(cc1[*:1])C(=O)N(C)C
O=C(NCCC1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(c1ccc(F)cc1)N1CCC(CCNC(=O)[*:1])CC1
O=C(NCCC1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] O=C(NCCC1CCN(CC1)C(=O)[*:1])c1ccc2OCOc2c1
COCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccc(C)cc3)cc2)(C(N)=O)C1 NC(=O)[*:1] COCCC(=O)N1CCC[C@@](Cc2ccc(cc2)-c2ccc(C)cc2)(C1)[*:1]
COCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccc(C)cc3)cc2)(C(N)=O)C1 COC[*:1] Cc1ccc(cc1)-c1ccc(cc1)C[C@]1(CCCN(C1)C(=O)C[*:1])C(N)=O
COCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccc(C)cc3)cc2)(C(N)=O)C1 Cc1ccc(cc1)[*:1] COCCC(=O)N1CCC[C@](Cc2ccc(cc2)[*:1])(C1)C(N)=O
COCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccc(C)cc3)cc2)(C(N)=O)C1 COCC[*:1] Cc1ccc(cc1)-c1ccc(cc1)C[C@]1(CCCN(C1)C(=O)[*:1])C(N)=O
O=C([O-])CCc1cc2n(n1)CCCN(S(=O)(=O)CCC(F)(F)F)C2 FC(F)(F)[*:1] O=C([O-])CCc1cc2CN(CCCn2n1)S(=O)(=O)CC[*:1]
O=C([O-])CCc1cc2n(n1)CCCN(S(=O)(=O)CCC(F)(F)F)C2 O=C([O-])CC[*:1] O=S(=O)(CCC(F)(F)F)N1CCCn2nc(cc2C1)[*:1]
O=C([O-])CCc1cc2n(n1)CCCN(S(=O)(=O)CCC(F)(F)F)C2 O=C([O-])C[*:1] O=S(=O)(CCC(F)(F)F)N1CCCn2nc(cc2C1)C[*:1]
O=C([O-])CCc1cc2n(n1)CCCN(S(=O)(=O)CCC(F)(F)F)C2 FC(F)(F)C[*:1] O=C([O-])CCc1cc2CN(CCCn2n1)S(=O)(=O)C[*:1]
O=C([O-])CCc1cc2n(n1)CCCN(S(=O)(=O)CCC(F)(F)F)C2 O=C([O-])[*:1] O=S(=O)(CCC(F)(F)F)N1CCCn2nc(cc2C1)CC[*:1]
O=C([O-])CCc1cc2n(n1)CCCN(S(=O)(=O)CCC(F)(F)F)C2 FC(F)(F)CC[*:1] O=C([O-])CCc1cc2CN(CCCn2n1)S(=O)(=O)[*:1]
O=c1c2c(C3CC3)csc2nc(SC[C@H]2CCCO2)n1-c1ccccc1 C1CC1[*:1] O=c1c2c(csc2nc(SC[C@H]2CCCO2)n1-c1ccccc1)[*:1]
O=c1c2c(C3CC3)csc2nc(SC[C@H]2CCCO2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c2c(csc2nc(SC[C@H]2CCCO2)n1[*:1])C1CC1
CC(C)[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1nc(-c2nc[nH]n2)no1 CC(C)[*:1] C[C@@H]([NH2+][C@H](c1nc(no1)-c1nc[nH]n1)[*:1])c1ccc2OCOc2c1
CC(C)[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1nc(-c2nc[nH]n2)no1 c1nc(n[nH]1)[*:1] CC(C)[C@H]([NH2+][C@H](C)c1ccc2OCOc2c1)c1nc(no1)[*:1]
O=C(CN1CCN(Cc2cccnc2)CC1)Nc1nc2c(s1)CCCC2 c1cncc(c1)C[*:1] O=C(CN1CCN(CC1)[*:1])Nc1nc2CCCCc2s1
O=C(CN1CCN(Cc2cccnc2)CC1)Nc1nc2c(s1)CCCC2 c1cncc(c1)[*:1] O=C(CN1CCN(CC1)C[*:1])Nc1nc2CCCCc2s1
O=C1NC[C@@H](C(=O)NCc2cccc(COCc3ccccc3)c2)N1 c1ccc(cc1)C[*:1] O=C1NC[C@H](N1)C(=O)NCc1cccc(c1)CO[*:1]
O=C1NC[C@@H](C(=O)NCc2cccc(COCc3ccccc3)c2)N1 c1ccc(cc1)CO[*:1] O=C1NC[C@H](N1)C(=O)NCc1cccc(c1)C[*:1]
O=C1NC[C@@H](C(=O)NCc2cccc(COCc3ccccc3)c2)N1 c1ccc(cc1)[*:1] O=C1NC[C@H](N1)C(=O)NCc1cccc(c1)COC[*:1]
COc1ccc(-c2ccc3nnc(SCC(=O)N4CCN(c5ccccc5)CC4)n3n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1ccc2nnc(SCC(=O)N3CCN(CC3)[*:1])n2n1
COc1ccc(-c2ccc3nnc(SCC(=O)N4CCN(c5ccccc5)CC4)n3n2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc2ccc(nn12)[*:1])N1CCN(CC1)c1ccccc1
Cc1ccc(C(N)=O)c(O[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)c1 NC(=O)[*:1] Cc1ccc(c(c1)O[C@@H](C)C(=O)Nc1ccc(C)c(F)c1)[*:1]
Cc1ccc(C(N)=O)c(O[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)c1 Cc1ccc(cc1F)[*:1] Cc1ccc(C(N)=O)c(c1)O[C@@H](C)C(=O)N[*:1]
COc1nc(N/N=C/c2cccc(Br)c2)nc(N2CCCCC2)n1 C1CCN(CC1)[*:1] COc1nc(nc(n1)[*:1])N/N=C/c1cccc(Br)c1
COc1nc(N/N=C/c2cccc(Br)c2)nc(N2CCCCC2)n1 Brc1cccc(c1)[*:1] COc1nc(nc(n1)N1CCCCC1)NN=C[*:1]
O=C(c1cn(CC[C@H]2CCCC[NH2+]2)nn1)N1CCC(N2CCOC2=O)CC1 O=C1OCCN1[*:1] O=C(c1cn(CC[C@H]2CCCC[NH2+]2)nn1)N1CCC(CC1)[*:1]
CC(C)Oc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 c1ccc(cc1)C[*:1] CC(C)Oc1cccc(c1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CC(C)Oc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)O[*:1])[C@H]1CCCN(C1)S(=O)(=O)Cc1ccccc1
CC(C)Oc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 CC(C)O[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN(C1)S(=O)(=O)Cc1ccccc1
CC(C)Oc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 c1ccc(cc1)[*:1] CC(C)Oc1cccc(c1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
Cc1ccc(OCc2nc(C(=O)Nc3ccc(F)cc3C)cs2)cc1 Cc1cc(F)ccc1[*:1] Cc1ccc(cc1)OCc1nc(cs1)C(=O)N[*:1]
Cc1ccc(OCc2nc(C(=O)Nc3ccc(F)cc3C)cs2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(F)ccc1NC(=O)c1csc(CO[*:1])n1
Cc1ccc(OCc2nc(C(=O)Nc3ccc(F)cc3C)cs2)cc1 Cc1ccc(cc1)O[*:1] Cc1cc(F)ccc1NC(=O)c1csc(C[*:1])n1
Cc1cc(C)n2nc(C(=O)N(Cc3ccc(F)cc3)C3CC3)nc2n1 Fc1ccc(cc1)C[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N(C1CC1)[*:1]
Cc1cc(C)n2nc(C(=O)N(Cc3ccc(F)cc3)C3CC3)nc2n1 C1CC1[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N(Cc1ccc(F)cc1)[*:1]
Cc1cc(C)n2nc(C(=O)N(Cc3ccc(F)cc3)C3CC3)nc2n1 Fc1ccc(cc1)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N(C[*:1])C1CC1
NC(=O)c1cc(NC(=O)C(=O)NCCc2ccccc2)ccc1F c1ccc(cc1)CC[*:1] NC(=O)c1cc(ccc1F)NC(=O)C(=O)N[*:1]
NC(=O)c1cc(NC(=O)C(=O)NCCc2ccccc2)ccc1F NC(=O)[*:1] O=C(NCCc1ccccc1)C(=O)Nc1ccc(F)c(c1)[*:1]
NC(=O)c1cc(NC(=O)C(=O)NCCc2ccccc2)ccc1F c1ccc(cc1)C[*:1] NC(=O)c1cc(ccc1F)NC(=O)C(=O)NC[*:1]
NC(=O)c1cc(NC(=O)C(=O)NCCc2ccccc2)ccc1F c1ccc(cc1)[*:1] NC(=O)c1cc(ccc1F)NC(=O)C(=O)NCC[*:1]
CCC[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CCO1 CCC[*:1] COc1ccc(cc1)-c1cnc(CCC(=O)N2CCO[C@@H](C2)[*:1])o1
CCC[C@@H]1CN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CCO1 COc1ccc(cc1)[*:1] CCC[C@@H]1CN(CCO1)C(=O)CCc1ncc(o1)[*:1]
CCC[NH+]1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 FC(F)(F)[*:1] CCC[NH+]1CCC(CC1)[NH+]1CCN(CC1)c1cccc(c1)[*:1]
CCC[NH+]1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 CCC[*:1] FC(F)(F)c1cccc(c1)N1CC[NH+](CC1)C1CC[NH+](CC1)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)CC1 Cc1cccc(c1)[*:1] COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC1)C(=O)c1ccc([nH]c1=O)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)CC1 Clc1ccc(cc1)[*:1] COC(=O)[C@H](N1CCN(CC1)C(=O)c1ccc([nH]c1=O)-c1cccc(C)c1)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)CC1 COC(=O)[*:1] Cc1cccc(c1)-c1ccc(C(=O)N2CCN(CC2)[C@@H](c2ccc(Cl)cc2)[*:1])c(=O)[nH]1
CC(=O)c1cc(Cl)ccc1OCc1ncccc1C CC(=O)[*:1] Cc1cccnc1COc1ccc(Cl)cc1[*:1]
COC(=O)C1(NC(=O)c2cc(C(C)(C)C)on2)CCSCC1 CC(C)(C)[*:1] COC(=O)C1(CCSCC1)NC(=O)c1cc(on1)[*:1]
COC(=O)C1(NC(=O)c2cc(C(C)(C)C)on2)CCSCC1 COC(=O)[*:1] CC(C)(C)c1cc(no1)C(=O)NC1(CCSCC1)[*:1]
COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 CC(=O)N[*:1] COc1cc(c(Cl)cc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12)[*:1]
CCCN(CCC)S(=O)(=O)c1ccccc1[N+](=O)[O-] CCC[*:1] CCCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])[*:1]
CCCN(CCC)S(=O)(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCN(CCC)S(=O)(=O)c1ccccc1[*:1]
CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c(-c3ccccc3)c[nH]c2c1=O c1ccc(cc1)[*:1] CCn1c(nc2c(c[nH]c2c1=O)[*:1])SCC(=O)Nc1ccc(F)cc1
CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c(-c3ccccc3)c[nH]c2c1=O O=C(Nc1ccc(F)cc1)[*:1] CCn1c(nc2c(c[nH]c2c1=O)-c1ccccc1)SC[*:1]
CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c(-c3ccccc3)c[nH]c2c1=O Fc1ccc(cc1)[*:1] CCn1c(nc2c(c[nH]c2c1=O)-c1ccccc1)SCC(=O)N[*:1]
C[NH+](Cc1c[nH]nc1-c1cccnc1)C1CCC(NC(=O)OC(C)(C)C)CC1 c1cncc(c1)[*:1] C[NH+](Cc1c[nH]nc1[*:1])C1CCC(CC1)NC(=O)OC(C)(C)C
C[NH+](Cc1c[nH]nc1-c1cccnc1)C1CCC(NC(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)N[*:1] C[NH+](Cc1c[nH]nc1-c1cccnc1)C1CCC(CC1)[*:1]
C[NH+](Cc1c[nH]nc1-c1cccnc1)C1CCC(NC(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] C[NH+](Cc1c[nH]nc1-c1cccnc1)C1CCC(CC1)NC(=O)O[*:1]
O=C(NN1CCN(Cc2ccccc2Cl)CC1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NN1CCN(CC1)Cc1ccccc1Cl)[*:1]
O=C(NN1CCN(Cc2ccccc2Cl)CC1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NN1CCN(CC1)C[*:1])c1ccccc1Cl
O=C(NN1CCN(Cc2ccccc2Cl)CC1)c1ccccc1Cl Clc1ccccc1C[*:1] O=C(NN1CCN(CC1)[*:1])c1ccccc1Cl
CCc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 C1CC1[*:1] CCc1ccc(cc1)NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Nc1ccccc1OCCO OCC[*:1] Nc1ccccc1O[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc4cn[nH]c34)C2)s1 Cc1ccc(s1)[*:1] O=C(Nc1cccc2cn[nH]c12)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc4cn[nH]c34)C2)s1 c1cc(c2[nH]ncc2c1)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CC[C@H](C)NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn12 CC[C@H](C)[*:1] O=C(CCc1c(nc2ccccn12)-c1ccc(Cl)cc1)N[*:1]
CC[C@H](C)NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn12 Clc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)CCc1c(nc2ccccn12)[*:1]
CC[C@H](C)NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn12 CC[C@H](C)NC(=O)[*:1] Clc1ccc(cc1)-c1nc2ccccn2c1CC[*:1]
C[NH2+]C[C@H](C)C(=O)N[C@H](c1ccccc1)C(C)C CC(C)[*:1] C[NH2+]C[C@H](C)C(=O)N[C@H](c1ccccc1)[*:1]
C[NH2+]C[C@H](C)C(=O)N[C@H](c1ccccc1)C(C)C c1ccc(cc1)[*:1] C[NH2+]C[C@H](C)C(=O)N[C@H](C(C)C)[*:1]
CC(=O)NCCNC(=O)N1CCC(Cc2ccccc2)CC1 CC(=O)NC[*:1] O=C(NC[*:1])N1CCC(CC1)Cc1ccccc1
CC(=O)NCCNC(=O)N1CCC(Cc2ccccc2)CC1 CC(=O)N[*:1] O=C(NCC[*:1])N1CCC(CC1)Cc1ccccc1
CC(=O)NCCNC(=O)N1CCC(Cc2ccccc2)CC1 CC(=O)NCC[*:1] O=C(N[*:1])N1CCC(CC1)Cc1ccccc1
CC(=O)NCCNC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(=O)NCCNC(=O)N1CCC(CC1)[*:1]
CC(=O)NCCNC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)NCCNC(=O)N1CCC(CC1)C[*:1]
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(-c2ccccc2)cc1Cl c1ccc(cc1)[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(cc1Cl)[*:1]
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2cc3ccccc3o2)c1 COc1ccccc1[*:1] C/C(=N\NC(=O)c1cccc(c1)S(=O)(=O)N[*:1])c1cc2ccccc2o1
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2cc3ccccc3o2)c1 c1ccc2oc(cc2c1)[*:1] COc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)NN=C(C)[*:1]
CCOc1cc(/C=C2/SC(=N)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCOc1cc(/C=C2/SC(=N)N(C2=O)c2ccc3OCOc3c2)ccc1O[*:1]
CCOc1cc(/C=C2/SC(=N)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(F)cc1 c1cc2OCOc2cc1[*:1] CCOc1cc(/C=C2/SC(=N)N(C2=O)[*:1])ccc1OCc1ccc(F)cc1
CCOc1cc(/C=C2/SC(=N)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOc1cc(/C=C2/SC(=N)N(C2=O)c2ccc3OCOc3c2)ccc1OC[*:1]
CCOc1cc(/C=C2/SC(=N)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(F)cc1 Fc1ccc(cc1)CO[*:1] CCOc1cc(/C=C2/SC(=N)N(C2=O)c2ccc3OCOc3c2)ccc1[*:1]
CCOc1cc(/C=C2/SC(=N)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(F)cc1 CCO[*:1] N=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)c(c2)[*:1])C(=O)N1c1ccc2OCOc2c1
O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Cl)cc1 c1csc(c1)[*:1] O=S(=O)(NC[C@H](N1CCOCC1)[*:1])c1ccc(Cl)cc1
O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)[*:1]
O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Cl)cc1 C1CN(CCO1)[*:1] O=S(=O)(NC[C@H](c1cccs1)[*:1])c1ccc(Cl)cc1
Cn1nccc1C(=O)O[C@@H](C1CCCCC1)C(F)(F)F C1CCC(CC1)[*:1] Cn1nccc1C(=O)O[C@@H](C(F)(F)F)[*:1]
Cn1nccc1C(=O)O[C@@H](C1CCCCC1)C(F)(F)F Cn1nccc1[*:1] O=C(O[C@@H](C1CCCCC1)C(F)(F)F)[*:1]
Cn1nccc1C(=O)O[C@@H](C1CCCCC1)C(F)(F)F FC(F)(F)[*:1] Cn1nccc1C(=O)O[C@@H](C1CCCCC1)[*:1]
Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O3)CN(C1CC1)CO2 C1CC1[*:1] Cc1cc2OCN(Cc2c2O/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)c12)[*:1]
Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O3)CN(C1CC1)CO2 Clc1ccc(cc1Cl)[*:1] Cc1cc2OCN(Cc2c2OC(=C[*:1])C(=O)c12)C1CC1
O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccccc2Cl)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(N1CCO[C@H](C1)c1ccccc1Cl)[*:1]
O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](C1)[*:1]
O=c1c2ccsc2ncn1Cc1noc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=c1c2ccsc2ncn1Cc1noc(n1)[*:1]
Nc1nonc1C(=O)N1CCCN(C(=O)Nc2ccccc2)CC1 Nc1nonc1[*:1] O=C(Nc1ccccc1)N1CCCN(CC1)C(=O)[*:1]
Nc1nonc1C(=O)N1CCCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] Nc1nonc1C(=O)N1CCCN(CC1)C(=O)N[*:1]
Cc1ccn(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 Cc1ccn(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(Br)c1
Cc1ccn(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 Brc1cccc(c1)[*:1] Cc1ccn(n1)-c1ccc(cc1)NC(=O)[*:1]
C=CCn1c(CC)nnc1SCC(=O)Nc1ccc(Cl)cn1 C=CC[*:1] CCc1nnc(SCC(=O)Nc2ccc(Cl)cn2)n1[*:1]
C=CCn1c(CC)nnc1SCC(=O)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] C=CCn1c(CC)nnc1SCC(=O)N[*:1]
Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@@H](C)c3nc(C4CCCC4)no3)cc12 C1CCC(C1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@@H](C)c1nc(no1)[*:1]
Cc1cccc(C)c1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 Cc1cccc(C)c1[*:1] CN1C(=O)C[C@@H](NC(=O)[*:1])[C@@H]1c1ccc(Cl)cc1
Cc1cccc(C)c1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1cccc(C)c1C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1C CC(C)(C)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2CNC(=O)O[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1C CC(C)(C)OC(=O)NC[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@H]2[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1C CC(C)(C)OC(=O)N[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2C[*:1])c1C
COc1cccc2c1CC[C@@H]2NC[C@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1cccc2c1CC[C@@H]2NC[C@](C)(O)[*:1]
CCNc1nnc(S[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)s1 CCN[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](C)Sc1nnc(s1)[*:1]
CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCCc3cc(Cl)ccc32)c(C)c1 CC(=O)N[*:1] Cc1cc(cc(C)c1S(=O)(=O)N1CCCc2cc(Cl)ccc21)[*:1]
COC1CCN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CC1 FC(F)(F)[*:1] COC1CCN(CC1)C(=O)c1cc2ccc(cc2[nH]1)O[*:1]
COC1CCN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)CC1 FC(F)(F)O[*:1] COC1CCN(CC1)C(=O)c1cc2ccc(cc2[nH]1)[*:1]
COC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)C1=C(CN2CCN(CC2)c2ccc(F)cc2)NC(=O)N[C@H]1[*:1]
COC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 COC(=O)[*:1] O=C1NC(CN2CCN(CC2)c2ccc(F)cc2)=C([C@H](N1)c1cccc(Cl)c1)[*:1]
COC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 Fc1ccc(cc1)[*:1] COC(=O)C1=C(CN2CCN(CC2)[*:1])NC(=O)N[C@@H]1c1cccc(Cl)c1
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(F)cc2)N1C[C@H]1CCCO1
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 C1CO[C@H](C1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(F)cc1)[*:1])c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@@H]1[*:1])c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 C1CO[C@H](C1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(F)cc1)c1ccc2OCCOc2c1
CCCCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(OC)cc1 CCCC[*:1] COc1ccc(cc1)CNC(=O)[C@@H]1CSCN1C(=O)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)CNC(=O)[C@@H]1CSCN1C(=O)C[*:1]
O=C([O-])c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCS(=O)(=O)C1
Cc1cccc(NC(=O)C[NH+]2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)c1C O=C(Nc1ccc(Cl)cc1)[*:1] Cc1cccc(NC(=O)C[NH+]2CCN(CC2)[C@@H](C)[*:1])c1C
Cc1cccc(NC(=O)C[NH+]2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)c1C Clc1ccc(cc1)[*:1] Cc1cccc(NC(=O)C[NH+]2CCN(CC2)[C@@H](C)C(=O)N[*:1])c1C
Cc1cccc(NC(=O)C[NH+]2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)c1C Cc1cccc(c1C)[*:1] C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](CC1)CC(=O)N[*:1]
CSCc1ccc(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)o1 O=C([O-])[*:1] CSCc1ccc(o1)C(=O)N[C@](C)(C(F)(F)F)[*:1]
CSCc1ccc(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)o1 FC(F)(F)[*:1] CSCc1ccc(o1)C(=O)N[C@](C)(C(=O)[O-])[*:1]
CSCc1ccc(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)o1 CSC[*:1] C[C@@](NC(=O)c1ccc(o1)[*:1])(C(=O)[O-])C(F)(F)F
CCN(CC(=O)NC(C)C)C(=O)CSc1ccc2c(c1)CCC2 CC(C)[*:1] CCN(CC(=O)N[*:1])C(=O)CSc1ccc2CCCc2c1
CCN(CC(=O)NC(C)C)C(=O)CSc1ccc2c(c1)CCC2 CC(C)NC(=O)C[*:1] CCN(C(=O)CSc1ccc2CCCc2c1)[*:1]
CCN(CC(=O)NC(C)C)C(=O)CSc1ccc2c(c1)CCC2 CC(C)NC(=O)[*:1] CCN(C[*:1])C(=O)CSc1ccc2CCCc2c1
COc1cc(NC(=O)C(C)(C)CC(C)C)c(OC)cc1Cl CC(C)[*:1] COc1cc(NC(=O)C(C)(C)C[*:1])c(cc1Cl)OC
COc1cc(NC(=O)C(C)(C)CC(C)C)c(OC)cc1Cl CC(C)CC(C)(C)[*:1] COc1cc(NC(=O)[*:1])c(cc1Cl)OC
COc1cc(NC(=O)C(C)(C)CC(C)C)c(OC)cc1Cl CC(C)C[*:1] COc1cc(NC(=O)C(C)(C)[*:1])c(cc1Cl)OC
C#CCOC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 C#CCO[*:1] O=C(Nc1ccccc1)N1CCC[C@H](C1)C[*:1]
C#CCOC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 C#CCOC[*:1] O=C(Nc1ccccc1)N1CCC[C@H](C1)[*:1]
C#CCOC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 C#CC[*:1] O=C(Nc1ccccc1)N1CCC[C@@H](CO[*:1])C1
C#CCOC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] C#CCOC[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1ccc(C(=O)N(C)C)cc1NC(=O)NC(C)C CN(C)C(=O)[*:1] COc1ccc(cc1NC(=O)NC(C)C)[*:1]
COc1ccc(C(=O)N(C)C)cc1NC(=O)NC(C)C CC(C)[*:1] COc1ccc(cc1NC(=O)N[*:1])C(=O)N(C)C
Fc1ccc(COc2ccc(Cl)cc2CNn2cn[nH]c2=S)cc1 Fc1ccc(cc1)C[*:1] S=c1[nH]ncn1NCc1cc(Cl)ccc1O[*:1]
Fc1ccc(COc2ccc(Cl)cc2CNn2cn[nH]c2=S)cc1 Fc1ccc(cc1)[*:1] S=c1[nH]ncn1NCc1cc(Cl)ccc1OC[*:1]
C[C@@H]1C[C@@H]1COC(=O)[C@@H](C)N1CCc2ccccc2C1 C[C@@H]1C[C@@H]1C[*:1] C[C@H](C(=O)O[*:1])N1CCc2ccccc2C1
C[C@@H]1C[C@@H]1COC(=O)[C@@H](C)N1CCc2ccccc2C1 C[C@@H]1C[C@H]1[*:1] C[C@H](C(=O)OC[*:1])N1CCc2ccccc2C1
Cc1ccc(C(=O)NCC(=O)NC#N)cc1 N#CNC(=O)[*:1] Cc1ccc(cc1)C(=O)NC[*:1]
O=C(Nc1cccc(Cl)n1)c1ccc(COc2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)n1)c1ccc(CO[*:1])o1
O=C(Nc1cccc(Cl)n1)c1ccc(COc2ccc(F)cc2)o1 Fc1ccc(cc1)O[*:1] O=C(Nc1cccc(Cl)n1)c1ccc(C[*:1])o1
O=C(Nc1cccc(Cl)n1)c1ccc(COc2ccc(F)cc2)o1 Clc1cccc(n1)[*:1] O=C(N[*:1])c1ccc(COc2ccc(F)cc2)o1
Cc1nccc(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)n1 c1cncc(c1)[*:1] Cc1nccc(n1)C(=O)Nc1ccc(O[*:1])c(C)c1
Cc1nccc(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)n1 c1cncc(c1)O[*:1] Cc1nccc(n1)C(=O)Nc1ccc(c(C)c1)[*:1]
Cc1nccc(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)n1 Cc1nccc(n1)[*:1] Cc1cc(ccc1Oc1cccnc1)NC(=O)[*:1]
CC(C)(C)C1CCN(S(=O)(=O)NC[C@@H](O)c2c(F)cccc2F)CC1 CC(C)(C)[*:1] O=S(=O)(NC[C@@H](O)c1c(F)cccc1F)N1CCC(CC1)[*:1]
CC(C)(C)C1CCN(S(=O)(=O)NC[C@@H](O)c2c(F)cccc2F)CC1 Fc1cccc(F)c1[*:1] CC(C)(C)C1CCN(CC1)S(=O)(=O)NC[C@@H](O)[*:1]
C[C@@H](CCl)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 C[C@@H](CCl)[*:1] O=C(Nc1ccc(Br)c(c1)[N+](=O)[O-])[*:1]
C[C@@H](CCl)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](CCl)C(=O)Nc1ccc(Br)c(c1)[*:1]
CSCC[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 CSC[*:1] O=C1[C@@H]2[C@H](C[*:1])N[C@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@@H]2C(=O)N1c1ccccc1
CSCC[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 CSCC[*:1] O=C1[C@@H]2[C@@H](N[C@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@@H]2C(=O)N1c1ccccc1)[*:1]
CSCC[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 c1ccc(cc1)[*:1] CSCC[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
CSCC[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 c1ccc(cc1)[*:1] CSCC[C@@H]1N[C@]2(C(=O)N(C[*:1])c3ccccc32)[C@@H]2C(=O)N(C(=O)[C@H]12)c1ccccc1
CSCC[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 c1ccc(cc1)C[*:1] CSCC[C@@H]1N[C@]2(C(=O)N(c3ccccc32)[*:1])[C@@H]2C(=O)N(C(=O)[C@H]12)c1ccccc1
C[C@@H](C1CC1)N(C)C(=O)NCc1ccc(F)cc1C(F)(F)F C1CC1[*:1] C[C@@H](N(C)C(=O)NCc1ccc(F)cc1C(F)(F)F)[*:1]
C[C@@H](C1CC1)N(C)C(=O)NCc1ccc(F)cc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](C1CC1)N(C)C(=O)NCc1ccc(F)cc1[*:1]
O=Cc1ccc(OC(F)F)c(OCC2CC2)c1 C1CC1C[*:1] O=Cc1ccc(OC(F)F)c(c1)O[*:1]
O=Cc1ccc(OC(F)F)c(OCC2CC2)c1 C1CC1[*:1] O=Cc1ccc(OC(F)F)c(c1)OC[*:1]
O=Cc1ccc(OC(F)F)c(OCC2CC2)c1 FC(F)O[*:1] O=Cc1ccc(c(c1)OCC1CC1)[*:1]
O=Cc1ccc(OC(F)F)c(OCC2CC2)c1 FC(F)[*:1] O=Cc1ccc(O[*:1])c(c1)OCC1CC1
O=Cc1ccc(OC(F)F)c(OCC2CC2)c1 C1CC1CO[*:1] O=Cc1ccc(OC(F)F)c(c1)[*:1]
CCCn1nnc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)NCc3ccccc3F)ccc21 Fc1ccccc1[*:1] CCCn1nnc2cc(ccc21)S(=O)(=O)N1CCC[C@H]1C(=O)NC[*:1]
CCCn1nnc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)NCc3ccccc3F)ccc21 CCC[*:1] O=C(NCc1ccccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)nnn2[*:1]
CCCn1nnc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)NCc3ccccc3F)ccc21 Fc1ccccc1C[*:1] CCCn1nnc2cc(ccc21)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
CC(C)[C@H](CNc1ncnc2c1CCCCC2)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](CNc1ncnc2CCCCCc21)[*:1]
CC(C)[C@H](CNc1ncnc2c1CCCCC2)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H](CNc1ncnc2CCCCCc21)[*:1]
Cc1ccc(-c2nnn(CC(=O)N[C@H](C)C3CC3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1nnc(n1)[*:1])C1CC1
Cc1ccc(-c2nnn(CC(=O)N[C@H](C)C3CC3)n2)cc1 C[C@H](C1CC1)[*:1] Cc1ccc(cc1)-c1nnn(CC(=O)N[*:1])n1
Cc1ccc(-c2nnn(CC(=O)N[C@H](C)C3CC3)n2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1nnn(CC(=O)N[C@H](C)[*:1])n1
CC[C@H](C)n1ncc(C(=O)N[C@H](CO)c2ccco2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)N[C@H](CO)c2ccco2)c1[*:1]
CC[C@H](C)n1ncc(C(=O)N[C@H](CO)c2ccco2)c1C1CC1 CC[C@H](C)[*:1] O=C(N[C@H](CO)c1ccco1)c1cnn(c1C1CC1)[*:1]
CC[C@H](C)n1ncc(C(=O)N[C@H](CO)c2ccco2)c1C1CC1 c1coc(c1)[*:1] CC[C@H](C)n1ncc(C(=O)N[C@H](CO)[*:1])c1C1CC1
O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cc(-c2ccccc2)on1 Fc1ccc(cc1)[*:1] O=C(NCCS(=O)(=O)[*:1])c1cc(on1)-c1ccccc1
O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cc(on1)[*:1]
CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)CC[C@@H]1c1ccccc1 c1cn(cn1)[*:1] CC[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)c1ccc(nc1)[*:1]
CC[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@H]1[*:1])C(=O)c1ccc(nc1)-n1ccnc1
C[C@@H](NC(=O)c1ncoc1-c1ccco1)c1ccccc1Cl c1coc(c1)[*:1] C[C@@H](NC(=O)c1ncoc1[*:1])c1ccccc1Cl
C[C@@H](NC(=O)c1ncoc1-c1ccco1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)c1ncoc1-c1ccco1)[*:1]
COC(=O)CCCCNC(=O)[C@H]1Cc2cc(F)ccc2O1 COC(=O)C[*:1] O=C(NCCC[*:1])[C@H]1Cc2cc(F)ccc2O1
COC(=O)CCCCNC(=O)[C@H]1Cc2cc(F)ccc2O1 COC(=O)[*:1] O=C(NCCCC[*:1])[C@H]1Cc2cc(F)ccc2O1
COC(=O)CCCCNC(=O)[C@H]1Cc2cc(F)ccc2O1 COC(=O)CCC[*:1] O=C(NC[*:1])[C@H]1Cc2cc(F)ccc2O1
COC(=O)CCCCNC(=O)[C@H]1Cc2cc(F)ccc2O1 COC(=O)CC[*:1] O=C(NCC[*:1])[C@H]1Cc2cc(F)ccc2O1
C[C@@H]([NH2+]C[C@@H](O)C1CCCC1)c1cc2ccccc2o1 C1CCC(C1)[*:1] C[C@@H]([NH2+]C[C@@H](O)[*:1])c1cc2ccccc2o1
CC(=O)C1=C[C@@H](C(=O)N2CCC[C@H](CCc3ccc(F)cc3F)C2)N=N1 CC(=O)[*:1] O=C([C@@H]1C=C(N=N1)[*:1])N1CCC[C@H](CCc2ccc(F)cc2F)C1
CC(=O)C1=C[C@@H](C(=O)N2CCC[C@H](CCc3ccc(F)cc3F)C2)N=N1 Fc1ccc(c(F)c1)[*:1] CC(=O)C1=C[C@H](N=N1)C(=O)N1CCC[C@H](CC[*:1])C1
CC[NH+](CCNC(=O)c1oc(C)nc1C)C(C)C CC(C)[*:1] CC[NH+](CCNC(=O)c1oc(C)nc1C)[*:1]
COCC[C@H]([NH3+])C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 O=C([O-])[*:1] COCC[C@H]([NH3+])C(=O)N1CC(C1)n1cc(nn1)[*:1]
COCC[C@H]([NH3+])C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 COCC[*:1] [NH3+][C@H](C(=O)N1CC(C1)n1cc(nn1)C(=O)[O-])[*:1]
COCC[C@H]([NH3+])C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 COC[*:1] [NH3+][C@@H](C[*:1])C(=O)N1CC(C1)n1cc(nn1)C(=O)[O-]
C[C@H](Br)[C@H](C)c1ccc(Cl)cc1 C[C@H](Br)[*:1] C[C@H](c1ccc(Cl)cc1)[*:1]
Cc1ccc(CCC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)o1 NC(=O)[*:1] Cc1ccc(CCC(=O)N2CC[C@@H](c3ccccc32)[*:1])o1
Cc1ccc(CCC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)o1 Cc1ccc(o1)[*:1] NC(=O)[C@@H]1CCN(C(=O)CC[*:1])c2ccccc21
Cc1ccc(CCC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)o1 Cc1ccc(C[*:1])o1 NC(=O)[C@@H]1CCN(C(=O)C[*:1])c2ccccc21
F[C@H](Cl)C(F)(F)OC[C@@H]1CO1 F[C@H](Cl)[*:1] FC(F)(OC[C@@H]1CO1)[*:1]
F[C@H](Cl)C(F)(F)OC[C@@H]1CO1 C1O[C@@H]1[*:1] F[C@H](Cl)C(F)(F)OC[*:1]
O=C(/C=C/c1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1Cl)N1CCN(CC1)[*:1]
O=C(/C=C/c1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1 Clc1ccccc1[*:1] O=C(C=C[*:1])N1CCN(CC1)c1ccc(F)cc1
Cc1nc([C@H](NC(=O)NCc2cc(C#N)ccc2F)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@H](NC(=O)NCc1cc(C#N)ccc1F)[*:1]
Cc1nc([C@H](NC(=O)NCc2cc(C#N)ccc2F)c2ccccc2)n[nH]1 N#Cc1ccc(F)c(c1)[*:1] Cc1nc(n[nH]1)[C@H](NC(=O)NC[*:1])c1ccccc1
Cc1nc([C@H](NC(=O)NCc2cc(C#N)ccc2F)c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)N[C@H](c1ccccc1)[*:1]
CCOC(=O)c1cn(CN2CCN(C(=O)C3CCCC3)CC2)nc1C C1CCC(C1)[*:1] CCOC(=O)c1cn(CN2CCN(CC2)C(=O)[*:1])nc1C
CCOC(=O)c1cn(CN2CCN(C(=O)C3CCCC3)CC2)nc1C CCOC(=O)[*:1] Cc1nn(cc1[*:1])CN1CCN(CC1)C(=O)C1CCCC1
Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)c12 c1ccc(C[*:1])nc1 Cc1nn(C)c2nc(cc(C(=O)N(c3ccc(F)cc3)[*:1])c12)-c1ccco1
Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)c12 Fc1ccc(cc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(Cc3ccccn3)[*:1])c12)-c1ccco1
Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)c12 c1ccc(nc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(C[*:1])c3ccc(F)cc3)c12)-c1ccco1
Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)c12 c1coc(c1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)c12)[*:1]
CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 CCS(=O)(=O)N(C)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC(CC1)[*:1]
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(C#N)cnn1C O=[N+]([O-])[*:1] Cc1cc(ccc1C(=O)Nc1c(C#N)cnn1C)[*:1]
CC(C)CN(C(=O)C[C@@H]1C[NH2+]CCO1)C(C)C CC(C)[*:1] CC(C)CN(C(=O)C[C@@H]1C[NH2+]CCO1)[*:1]
CC(C)CN(C(=O)C[C@@H]1C[NH2+]CCO1)C(C)C CC(C)[*:1] CC(C)N(C[*:1])C(=O)C[C@@H]1C[NH2+]CCO1
CC(C)CN(C(=O)C[C@@H]1C[NH2+]CCO1)C(C)C CC(C)C[*:1] CC(C)N(C(=O)C[C@@H]1C[NH2+]CCO1)[*:1]
COc1ccc(NC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 COc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[*:1]
COc1ccc(NC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] COc1ccc(cc1)NC(=O)NCc1ccccc1[*:1]
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccsc2)o1 Cc1ccc(C[*:1])o1 CN(Cc1ccsc1)C(=O)C[C@@H]1C(=O)NCCN1[*:1]
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccsc2)o1 c1cc(cs1)[*:1] Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)C[*:1])o1
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccsc2)o1 Cc1ccc(o1)[*:1] CN(Cc1ccsc1)C(=O)C[C@@H]1C(=O)NCCN1C[*:1]
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccsc2)o1 c1cc(cs1)C[*:1] Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)[*:1])o1
CCC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2s1 CCC(=O)N[*:1] COc1ccc(cc1OC)S(=O)(=O)Nc1ccc2nc(sc2c1)[*:1]
NC(=S)c1ccccc1OC[C@@H]1Cc2ccccc2S1 NC(=S)[*:1] c1ccc2S[C@H](COc3ccccc3[*:1])Cc2c1
CN(C)c1nc(N)nc(CSc2cccc(Cl)c2)n1 CN(C)[*:1] Nc1nc(CSc2cccc(Cl)c2)nc(n1)[*:1]
COc1ccc(NC(=S)N(Cc2ccc(C)o2)C2CCCC2)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)NC(=S)N(C[*:1])C1CCCC1
COc1ccc(NC(=S)N(Cc2ccc(C)o2)C2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)NC(=S)N(Cc1ccc(C)o1)[*:1]
COc1ccc(NC(=S)N(Cc2ccc(C)o2)C2CCCC2)cc1 Cc1ccc(C[*:1])o1 COc1ccc(cc1)NC(=S)N(C1CCCC1)[*:1]
COc1ccc(NC(=S)N(Cc2ccc(C)o2)C2CCCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(CN(C(=S)N[*:1])C2CCCC2)o1
O=C(CCc1cc(Cl)no1)NCCc1cc2nc(-c3ccncc3)ccn2n1 Clc1cc(on1)[*:1] O=C(CC[*:1])NCCc1cc2nc(ccn2n1)-c1ccncc1
O=C(CCc1cc(Cl)no1)NCCc1cc2nc(-c3ccncc3)ccn2n1 Clc1cc(CC[*:1])on1 O=C(NCCc1cc2nc(ccn2n1)-c1ccncc1)[*:1]
O=C(CCc1cc(Cl)no1)NCCc1cc2nc(-c3ccncc3)ccn2n1 c1cc(ccn1)[*:1] O=C(CCc1cc(Cl)no1)NCCc1cc2nc(ccn2n1)[*:1]
O=C(CCc1cc(Cl)no1)NCCc1cc2nc(-c3ccncc3)ccn2n1 Clc1cc(C[*:1])on1 O=C(C[*:1])NCCc1cc2nc(ccn2n1)-c1ccncc1
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(CC(=O)Nc1cccc(c1)[N+](=O)[O-])S(=O)(=O)[*:1]
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CC(=O)N[*:1]
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CC(=O)Nc1cccc(c1)[*:1]
COc1ccccc1[C@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC COc1ccccc1[*:1] CO[C@H]1CN(C[C@H]1[NH2+][C@@H](C)[*:1])C(=O)OC(C)(C)C
COc1ccccc1[C@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC CC(C)(C)[*:1] COc1ccccc1[C@H](C)[NH2+][C@@H]1CN(C[C@@H]1OC)C(=O)O[*:1]
CC[C@@H]([NH2+]C)[C@@H](C)SCC[NH+](C)C C[NH+](C)C[*:1] CC[C@@H]([NH2+]C)[C@@H](C)SC[*:1]
CCC[NH2+][C@H](Cc1cccs1)[C@@H]1C[NH+]2CCN1CC2 c1csc(c1)C[*:1] CCC[NH2+][C@H]([C@@H]1C[NH+]2CCN1CC2)[*:1]
CCC[NH2+][C@H](Cc1cccs1)[C@@H]1C[NH+]2CCN1CC2 CCC[*:1] c1csc(c1)C[C@@H]([NH2+][*:1])[C@@H]1C[NH+]2CCN1CC2
CCC[NH2+][C@H](Cc1cccs1)[C@@H]1C[NH+]2CCN1CC2 c1csc(c1)[*:1] CCC[NH2+][C@H](C[*:1])[C@@H]1C[NH+]2CCN1CC2
COc1ccc(/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c(OC)c1 Cc1cccc(n1)[*:1] COc1ccc(/[NH+]=c2\oc3ccccc3cc2C(=O)N[*:1])c(c1)OC
COc1ccc(/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cccc(n1)NC(=O)c1cc2ccccc2oc1=[NH+][*:1]
COc1ccc(/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c(OC)c1 Cc1cccc(n1)NC(=O)[*:1] COc1ccc(/[NH+]=c2\oc3ccccc3cc2[*:1])c(c1)OC
NC(=O)NC1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 Clc1cccc(c1)[*:1] NC(=O)NC1CC[NH+](CCc2nc(no2)[*:1])CC1
NC(=O)NC1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 NC(=O)N[*:1] Clc1cccc(c1)-c1noc(CC[NH+]2CCC(CC2)[*:1])n1
CC(C)CN(CC(C)C)C(=O)C[NH+]1CCCC2(C1)OCCO2 CC(C)C[*:1] CC(C)CN(C(=O)C[NH+]1CCCC2(C1)OCCO2)[*:1]
CC(C)CN(CC(C)C)C(=O)C[NH+]1CCCC2(C1)OCCO2 CC(C)[*:1] CC(C)CN(C[*:1])C(=O)C[NH+]1CCCC2(C1)OCCO2
CS(=O)(=O)c1cccc(-c2noc(C3CCN(C(=O)c4cnc5ccccc5n4)CC3)n2)c1 c1ccc2nc(cnc2c1)[*:1] CS(=O)(=O)c1cccc(c1)-c1noc(n1)C1CCN(CC1)C(=O)[*:1]
CS(=O)(=O)c1cccc(-c2noc(C3CCN(C(=O)c4cnc5ccccc5n4)CC3)n2)c1 CS(=O)(=O)c1cccc(c1)[*:1] O=C(c1cnc2ccccc2n1)N1CCC(CC1)c1nc(no1)[*:1]
CS(=O)(=O)c1cccc(-c2noc(C3CCN(C(=O)c4cnc5ccccc5n4)CC3)n2)c1 CS(=O)(=O)[*:1] O=C(c1cnc2ccccc2n1)N1CCC(CC1)c1nc(no1)-c1cccc(c1)[*:1]
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C(=O)N1CCC1)[*:1]
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC2)cc1 O=C(N1CCC1)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)[*:1])C(C)(C)C
COC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@H]1c1cccc(OC)c1 COC(=O)[*:1] COc1cccc(c1)[C@@H]1NC(=O)NC(C[NH+]2CCSCC2)=C1[*:1]
COC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] COC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@@H]1[*:1]
Cc1ccnc(SCC(=O)Nc2ncc3c(n2)CCCC3=O)n1 Cc1ccnc(n1)[*:1] O=C(CS[*:1])Nc1ncc2C(=O)CCCc2n1
O=C(NNc1ncnc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(NNc1ncnc2c1cnn2C[*:1])c1ccc(Cl)cc1Cl
O=C(NNc1ncnc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1Cl c1ccc(cc1)C[*:1] O=C(NNc1ncnc2c1cnn2[*:1])c1ccc(Cl)cc1Cl
O=C(NNc1ncnc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(NNc1ncnc2c1cnn2Cc1ccccc1)[*:1]
COc1cc([C@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccccc4)[C@@H]32)c(OC)c2c1OCO2 CC(C)(C)[*:1] COc1cc(c(OC)c2OCOc12)[C@H]1c2cnn(c2N=C2NC(=O)N(c3ccccc3)[C@@H]21)[*:1]
COc1cc([C@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccccc4)[C@@H]32)c(OC)c2c1OCO2 c1ccc(cc1)[*:1] COc1cc(c(OC)c2OCOc12)[C@H]1c2cnn(c2N=C2NC(=O)N([C@@H]21)[*:1])C(C)(C)C
CC(C)(C)c1noc(COC(=O)c2ccc(C#N)cc2)n1 CC(C)(C)[*:1] N#Cc1ccc(cc1)C(=O)OCc1nc(no1)[*:1]
O=C([O-])[C@@H]1CN(C(=O)Cc2csc3[n+]2CCCN3)C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1CN(C[C@@H]1[*:1])C(=O)Cc1csc2NCCC[n+]12
O=C([O-])[C@@H]1CN(C(=O)Cc2csc3[n+]2CCCN3)C[C@H]1c1ccccc1 O=C([O-])[*:1] O=C(Cc1csc2NCCC[n+]12)N1C[C@H]([C@@H](C1)c1ccccc1)[*:1]
Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])N1CCO[C@@H](C1)c1cccc(F)c1
Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1C Fc1cccc(c1)[*:1] Cc1ccc(cc1C)NC(=O)N1CCO[C@H](C1)[*:1]
CC(C)[C@@H](Sc1nncn1C1CC1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](Sc1nncn1C1CC1)C(=O)NC[*:1]
CC(C)[C@@H](Sc1nncn1C1CC1)C(=O)NCc1ccc(F)cc1 c1nnc(n1C1CC1)[*:1] CC(C)[C@@H](S[*:1])C(=O)NCc1ccc(F)cc1
CC(C)[C@@H](Sc1nncn1C1CC1)C(=O)NCc1ccc(F)cc1 CC(C)[*:1] O=C(NCc1ccc(F)cc1)[C@H](Sc1nncn1C1CC1)[*:1]
CC(C)[C@@H](Sc1nncn1C1CC1)C(=O)NCc1ccc(F)cc1 C1CC1[*:1] CC(C)[C@@H](Sc1nncn1[*:1])C(=O)NCc1ccc(F)cc1
CC(C)[C@@H](Sc1nncn1C1CC1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CC(C)[C@@H](Sc1nncn1C1CC1)C(=O)N[*:1]
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC[C@@H]2CCOC2)c1 C1C[C@H](CO1)C[*:1] Cc1ccc(Cl)c(c1)O[C@@H](C)C(=O)N[*:1]
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] Cc1ccc(Cl)c(c1)O[C@@H](C)C(=O)NC[*:1]
CCN(C[C@@H](C)C#N)C(=O)Cn1ncc(=O)c2ccccc21 C[C@@H](C#N)C[*:1] CCN(C(=O)Cn1ncc(=O)c2ccccc21)[*:1]
Cc1noc(/C=C/c2ccc(S(=O)(=O)N3CCCC3)cc2)c1[N+](=O)[O-] O=S(=O)(N1CCCC1)[*:1] Cc1noc(/C=C/c2ccc(cc2)[*:1])c1[N+](=O)[O-]
Cc1noc(/C=C/c2ccc(S(=O)(=O)N3CCCC3)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1noc(/C=C/c2ccc(cc2)S(=O)(=O)N2CCCC2)c1[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 N#Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 N#Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1)[*:1]
Cc1cccc(=O)n1Cc1cc(F)cc(C#CCO)c1 OCC#C[*:1] Cc1cccc(=O)n1Cc1cc(F)cc(c1)[*:1]
CCc1ccc(OCC(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3Cl)c2[O-])cc1 Clc1ccccc1C[*:1] CCc1ccc(cc1)OCC(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
CCc1ccc(OCC(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3Cl)c2[O-])cc1 CCc1ccc(cc1)[*:1] Cc1c(C(=O)CO[*:1])c([O-])n(Cc2ccccc2Cl)c(=O)c1C#N
CCc1ccc(OCC(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3Cl)c2[O-])cc1 CCc1ccc(cc1)O[*:1] Cc1c(C(=O)C[*:1])c([O-])n(Cc2ccccc2Cl)c(=O)c1C#N
CCc1ccc(OCC(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3Cl)c2[O-])cc1 CCc1ccc(cc1)OC[*:1] Cc1c(C(=O)[*:1])c([O-])n(Cc2ccccc2Cl)c(=O)c1C#N
CCc1ccc(OCC(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3Cl)c2[O-])cc1 Clc1ccccc1[*:1] CCc1ccc(cc1)OCC(=O)c1c(C)c(C#N)c(=O)n(C[*:1])c1[O-]
Cc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)c(O)c1 Cc1ccc(c(O)c1)[*:1] Cc1cc(C(=O)COC(=O)[*:1])c(C)n1Cc1ccc2OCOc2c1
Cc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)c(O)c1 c1cc2OCOc2cc1C[*:1] Cc1ccc(C(=O)OCC(=O)c2cc(C)n(c2C)[*:1])c(O)c1
Cc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)c(O)c1 c1cc2OCOc2cc1[*:1] Cc1ccc(C(=O)OCC(=O)c2cc(C)n(C[*:1])c2C)c(O)c1
COC(=O)[C@H](Oc1ccc2c3c(c(=O)oc2c1C)CCC3)c1ccccc1 COC(=O)[*:1] Cc1c(ccc2c3CCCc3c(=O)oc12)O[C@H](c1ccccc1)[*:1]
COC(=O)[C@H](Oc1ccc2c3c(c(=O)oc2c1C)CCC3)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](Oc1ccc2c3CCCc3c(=O)oc2c1C)[*:1]
C=CC[NH+]1CCC(NC(=O)c2cccc(Oc3cnccn3)c2)CC1 c1cnc(cn1)O[*:1] C=CC[NH+]1CCC(CC1)NC(=O)c1cccc(c1)[*:1]
C=CC[NH+]1CCC(NC(=O)c2cccc(Oc3cnccn3)c2)CC1 c1cnc(cn1)[*:1] C=CC[NH+]1CCC(CC1)NC(=O)c1cccc(c1)O[*:1]
Cc1ccccc1OCC(=O)N1CC[C@H](C(N)=O)c2ccccc21 Cc1ccccc1O[*:1] NC(=O)[C@H]1CCN(C(=O)C[*:1])c2ccccc21
Cc1ccccc1OCC(=O)N1CC[C@H](C(N)=O)c2ccccc21 NC(=O)[*:1] Cc1ccccc1OCC(=O)N1CC[C@H](c2ccccc21)[*:1]
Cc1ccccc1OCC(=O)N1CC[C@H](C(N)=O)c2ccccc21 Cc1ccccc1[*:1] NC(=O)[C@H]1CCN(C(=O)CO[*:1])c2ccccc21
COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2NC(C)=O)cc1F CC(=O)N[*:1] COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2[*:1])cc1F
CC[NH2+][C@@H](C)c1ccnc(N(C)Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC[NH2+][C@@H](C)c1ccnc(c1)N(C)C[*:1]
CCCc1cc(NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)[C@H]1CCCN(C1)C(=O)NC1CCCC1)[*:1]
CCCc1cc(NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)n(C)n1 C1CCC(C1)[*:1] CCCc1cc(NC(=O)[C@H]2CCCN(C2)C(=O)N[*:1])n(C)n1
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 Fc1ccc(cc1F)[*:1] C[C@H](N(C)C(=O)N[C@@H]1CC(=O)N(C1)C1CC1)[*:1]
COC(=O)c1cc2n(n1)CCN(C(=O)CC(=O)Nc1ccc(C)cc1)C2 Cc1ccc(cc1)[*:1] COC(=O)c1cc2CN(CCn2n1)C(=O)CC(=O)N[*:1]
COC(=O)c1cc2n(n1)CCN(C(=O)CC(=O)Nc1ccc(C)cc1)C2 COC(=O)[*:1] Cc1ccc(cc1)NC(=O)CC(=O)N1CCn2nc(cc2C1)[*:1]
Cc1ccc(C)c(Oc2cccc(F)c2C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)Oc1cccc(F)c1[*:1]
Cc1cc(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)sc1C c1cc(cs1)[*:1] Cc1cc(sc1C)S(=O)(=O)N1CCO[C@@H](C1)[*:1]
Cc1cc(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)sc1C Cc1cc(sc1C)[*:1] O=S(=O)(N1CCO[C@H](C1)c1ccsc1)[*:1]
CCOc1ccc2cc(C(=O)Nc3ccc(C(=O)N(C)C)c(C)c3)[nH]c2c1 CCO[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)c1cc2ccc(cc2[nH]1)[*:1]
CCOc1ccc2cc(C(=O)Nc3ccc(C(=O)N(C)C)c(C)c3)[nH]c2c1 CN(C)C(=O)[*:1] CCOc1ccc2cc([nH]c2c1)C(=O)Nc1ccc(c(C)c1)[*:1]
O=C(Cc1ccccc1)NCCC(=O)Nc1cccc(-n2cnnc2)c1 c1ccc(cc1)C[*:1] O=C(CCNC(=O)[*:1])Nc1cccc(c1)-n1cnnc1
O=C(Cc1ccccc1)NCCC(=O)Nc1cccc(-n2cnnc2)c1 c1ccc(cc1)[*:1] O=C(C[*:1])NCCC(=O)Nc1cccc(c1)-n1cnnc1
O=C(Cc1ccccc1)NCCC(=O)Nc1cccc(-n2cnnc2)c1 c1nncn1[*:1] O=C(Cc1ccccc1)NCCC(=O)Nc1cccc(c1)[*:1]
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 c1cc(C[*:1])no1 Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 c1cc(no1)[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(CC1)S(=O)(=O)C[*:1]
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 Cc1cc(Cl)ccc1O[*:1] C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)Cc1ccon1)[*:1]
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 Cc1cc(Cl)ccc1[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)S(=O)(=O)Cc1ccon1
O=C(Cc1ccccn1)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 c1ccc(C[*:1])nc1 O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1C[C@@H]1CCCO1
O=C(Cc1ccccn1)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 c1ccc(nc1)[*:1] O=C(C[*:1])N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1
CC1CCN(c2cc(NC(=O)NC34CC5CC(CC(C5)C3)C4)ncn2)CC1 CC1CCN(CC1)[*:1] O=C(Nc1cc(ncn1)[*:1])NC12CC3CC(CC(C3)C1)C2
CC(C)N1NCC=C1NC(=O)[C@@H](C)S[C@@H]1N=Nc2nc3ccccc3n21 CC(C)[*:1] C[C@@H](S[C@@H]1N=Nc2nc3ccccc3n21)C(=O)NC1=CCNN1[*:1]
CC1(C)[C@@H](C(=O)Nc2ccon2)[C@H]1C(=O)[O-] O=C([O-])[*:1] CC1(C)[C@@H](C(=O)Nc2ccon2)[C@@H]1[*:1]
CC1(C)[C@@H](C(=O)Nc2ccon2)[C@H]1C(=O)[O-] c1cc(no1)[*:1] CC1(C)[C@@H](C(=O)N[*:1])[C@H]1C(=O)[O-]
COc1cc(C[NH2+]Cc2ccccn2)ccc1OC(F)F c1ccc(nc1)[*:1] COc1cc(ccc1OC(F)F)C[NH2+]C[*:1]
COc1cc(C[NH2+]Cc2ccccn2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C[NH2+]Cc1ccccn1
COc1cc(C[NH2+]Cc2ccccn2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C[NH2+]Cc1ccccn1
COc1cc(C[NH2+]Cc2ccccn2)ccc1OC(F)F c1ccc(C[*:1])nc1 COc1cc(ccc1OC(F)F)C[NH2+][*:1]
Clc1ccccc1OCCn1c(CN2CCOCC2)nc2ccccc21 C1CN(CCO1)[*:1] Clc1ccccc1OCCn1c(C[*:1])nc2ccccc21
Clc1ccccc1OCCn1c(CN2CCOCC2)nc2ccccc21 Clc1ccccc1[*:1] c1ccc2c(c1)nc(CN1CCOCC1)n2CCO[*:1]
Clc1ccccc1OCCn1c(CN2CCOCC2)nc2ccccc21 Clc1ccccc1O[*:1] c1ccc2c(c1)nc(CN1CCOCC1)n2CC[*:1]
Clc1ccccc1OCCn1c(CN2CCOCC2)nc2ccccc21 C1CN(CCO1)C[*:1] Clc1ccccc1OCCn1c(nc2ccccc21)[*:1]
Cc1cccc(C)c1OCCN1C(=O)C(=O)N(Cc2ccccc2)C1=O Cc1cccc(C)c1[*:1] O=C1C(=O)N(Cc2ccccc2)C(=O)N1CCO[*:1]
Cc1cccc(C)c1OCCN1C(=O)C(=O)N(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] Cc1cccc(C)c1OCCN1C(=O)C(=O)N(C1=O)[*:1]
Cc1cccc(C)c1OCCN1C(=O)C(=O)N(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] Cc1cccc(C)c1OCCN1C(=O)C(=O)N(C[*:1])C1=O
COC[C@H](C)NC(=O)C1CN(S(C)(=O)=O)C1 COC[*:1] C[C@H](NC(=O)C1CN(C1)S(C)(=O)=O)[*:1]
COC[C@H](C)NC(=O)C1CN(S(C)(=O)=O)C1 COC[C@H](C)[*:1] CS(=O)(=O)N1CC(C1)C(=O)N[*:1]
Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(N)=O)CC(C)(C)C2 CC(C)c1ccc(cc1)[*:1] Cc1c(oc2CC(C)(C)C/C(=N\NC(N)=O)c21)C(=O)N[*:1]
Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(N)=O)CC(C)(C)C2 CC(C)[*:1] Cc1c(oc2CC(C)(C)C/C(=N\NC(N)=O)c21)C(=O)Nc1ccc(cc1)[*:1]
CC1(C)Cc2cccc([C@@H]3C(N)=NC(=O)N3C3CC3)c2O1 C1CC1[*:1] CC1(C)Cc2cccc(c2O1)[C@@H]1C(N)=NC(=O)N1[*:1]
CCN(CC(=O)Nc1cccc(OC)c1)C(=O)Cn1c(=O)oc2ccccc21 COc1cccc(c1)[*:1] CCN(CC(=O)N[*:1])C(=O)Cn1c(=O)oc2ccccc21
CC(C)(C)Oc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 CC(C)(C)O[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)c1ccc(O)cc1
CC(C)(C)Oc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 CC(C)(C)[*:1] O=C(c1ccc(cc1)O[*:1])N1CCC(CC1)c1ccc(O)cc1
CC(C)(C)Oc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 Oc1ccc(cc1)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C(=O)N1CCCC(C)(C)CC1 CC(C)[*:1] Cc1ccc(cc1NC(=O)C(=O)N1CCCC(C)(C)CC1)NC(=O)[*:1]
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C(=O)N1CCCC(C)(C)CC1 CC(C)C(=O)N[*:1] Cc1ccc(cc1NC(=O)C(=O)N1CCCC(C)(C)CC1)[*:1]
CCNc1nc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cs1 c1ccc(cc1)[*:1] CCNc1nc(cs1)C(=O)NC[C@@H]1CC(=O)N(C1)C[*:1]
CCNc1nc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cs1 c1ccc(cc1)C[*:1] CCNc1nc(cs1)C(=O)NC[C@@H]1CC(=O)N(C1)[*:1]
CCNc1nc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cs1 CCN[*:1] O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1csc(n1)[*:1]
CCNc1nc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cs1 CCNc1nc(cs1)[*:1] O=C1C[C@@H](CNC(=O)[*:1])CN1Cc1ccccc1
O=C1CN(C(=O)Cc2cccnc2)c2ccc(Br)cc2N1 c1cncc(c1)C[*:1] O=C1CN(C(=O)[*:1])c2ccc(Br)cc2N1
O=C1CN(C(=O)Cc2cccnc2)c2ccc(Br)cc2N1 c1cncc(c1)[*:1] O=C1CN(C(=O)C[*:1])c2ccc(Br)cc2N1
CCOC(=O)C1=NN(c2ccc(OC)cc2[N+](=O)[O-])CC1=O O=[N+]([O-])[*:1] CCOC(=O)C1=NN(CC1=O)c1ccc(cc1[*:1])OC
Cc1cccc2c(=O)n(CC(=O)NC[C@@H](O)c3ccc(F)cc3)cnc12 Fc1ccc(cc1)[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)NC[C@@H](O)[*:1]
C[C@H](NC(=O)C1CC=CC1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] C[C@H](NC(=O)C1CC=CC1)c1ccc(cc1)OC[*:1]
C[C@H](NC(=O)C1CC=CC1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)CO[*:1] C[C@H](NC(=O)C1CC=CC1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)C1CC=CC1)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] C[C@H](NC(=O)C1CC=CC1)c1ccc(cc1)O[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1OC O=C1CCCN1[*:1] COc1ccc(cc1OC)CNC(=O)[C@@H]1CCCN1c1nnc(s1)[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1OC COc1ccc(cc1OC)[*:1] O=C(NC[*:1])[C@@H]1CCCN1c1nnc(s1)N1CCCC1=O
C/C(=N\NC(=O)c1ccc(C)cc1)c1cc(C)ccc1C Cc1ccc(cc1)[*:1] C/C(=N\NC(=O)[*:1])c1cc(C)ccc1C
CC(C)CC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 Clc1ccc(cc1)[*:1] CC(C)CC(=O)N1CCC[C@H](C1)c1nc(no1)[*:1]
CC(C)CC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 CC(C)C[*:1] O=C(N1CCC[C@H](C1)c1nc(no1)-c1ccc(Cl)cc1)[*:1]
CC(C)CC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 CC(C)[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1nc(no1)-c1ccc(Cl)cc1
Cc1nn(-c2ccccc2)c2c1C1(CCCCC1)N1N=NN(c3ccccc3)C1=N2 c1ccc(cc1)[*:1] Cc1nn(c2N=C3N(N=NN3C3(CCCCC3)c12)c1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c2c1C1(CCCCC1)N1N=NN(c3ccccc3)C1=N2 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c2N=C3N(N=NN3[*:1])C3(CCCCC3)c12
CC(C)CC(C)(C)CNC(=O)N[C@H](C)[C@H](C)N1CCOCC1 CC(C)C[*:1] C[C@@H]([C@@H](C)NC(=O)NCC(C)(C)[*:1])N1CCOCC1
CC(C)CC(C)(C)CNC(=O)N[C@H](C)[C@H](C)N1CCOCC1 CC(C)CC(C)(C)[*:1] C[C@@H]([C@@H](C)NC(=O)NC[*:1])N1CCOCC1
CC(C)CC(C)(C)CNC(=O)N[C@H](C)[C@H](C)N1CCOCC1 CC(C)[*:1] C[C@@H]([C@@H](C)NC(=O)NCC(C)(C)C[*:1])N1CCOCC1
CC(C)CC(C)(C)CNC(=O)N[C@H](C)[C@H](C)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)CC(C)(C)CNC(=O)N[C@H](C)[C@H](C)[*:1]
CN(C)C(=O)N1CCN(C(=O)CCCO)CC1 OCCC[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)[*:1]
CN(C)C(=O)N1CCN(C(=O)CCCO)CC1 OCC[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)C[*:1]
CN(CC(=O)N1CCCC1)C(=O)COc1ccc(Cl)c2cccnc12 O=C(N1CCCC1)[*:1] CN(C[*:1])C(=O)COc1ccc(Cl)c2cccnc12
CN(CC(=O)N1CCCC1)C(=O)COc1ccc(Cl)c2cccnc12 O=C(C[*:1])N1CCCC1 CN(C(=O)COc1ccc(Cl)c2cccnc12)[*:1]
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)c1cccs1 C1CCC(C1)[*:1] O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1])c1cccs1
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)c1cccs1 c1csc(c1)[*:1] O=C(NC1CCCC1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[*:1]
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(NC1CCCC1)[C@H](Cc1c[nH]c2ccccc12)[*:1]
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)c1cccs1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@@H](C[*:1])C(=O)NC1CCCC1)c1cccs1
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)c1cccs1 O=C(NC1CCCC1)[*:1] O=C(N[C@@H](Cc1c[nH]c2ccccc12)[*:1])c1cccs1
O=C1CCc2cc([C@@H](O)C(F)(F)C(F)F)ccc2N1 FC(F)[*:1] O=C1CCc2cc(ccc2N1)[C@@H](O)C(F)(F)[*:1]
O=C1CCc2cc([C@@H](O)C(F)(F)C(F)F)ccc2N1 FC(F)C(F)(F)[*:1] O=C1CCc2cc(ccc2N1)[C@@H](O)[*:1]
O=C([O-])c1cccc(Cl)c1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1cccc(Cl)c1C(=O)[*:1]
O=C([O-])c1cccc(Cl)c1C(=O)c1ccccc1 O=C([O-])[*:1] O=C(c1ccccc1)c1c(Cl)cccc1[*:1]
CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cccc(c1)[*:1]
CCC(=O)N1CCC([NH2+][C@H](CC(F)(F)F)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@H](CC(F)(F)F)[*:1]
CCC(=O)N1CCC([NH2+][C@H](CC(F)(F)F)c2ccc(Cl)cc2)CC1 FC(F)(F)C[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@H](c1ccc(Cl)cc1)[*:1]
CCC(=O)N1CCC([NH2+][C@H](CC(F)(F)F)c2ccc(Cl)cc2)CC1 FC(F)(F)[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@H](C[*:1])c1ccc(Cl)cc1
CCOC(=O)c1cccc(N2CCc3cc(F)ccc3C2)n1 CCOC(=O)[*:1] Fc1ccc2CN(CCc2c1)c1cccc(n1)[*:1]
C[C@@H](C(=O)/N=c1\[nH]cn[nH]1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H](C(=O)/N=c1\[nH]cn[nH]1)c1ccc(cc1)[*:1]
Cc1ccc(-c2noc([C@@H](C)Sc3nccn3C)n2)cc1F Cn1ccnc1S[*:1] Cc1ccc(cc1F)-c1noc(n1)[C@@H](C)[*:1]
Cc1ccc(-c2noc([C@@H](C)Sc3nccn3C)n2)cc1F Cn1ccnc1[*:1] Cc1ccc(cc1F)-c1noc(n1)[C@@H](C)S[*:1]
Cc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)C(=O)CSc1nnc(n1C1CC1)[*:1]
Cc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnc(C2CC2)n1C1CC1)[*:1]
Cc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)C(=O)CSc1nnc(C2CC2)n1[*:1]
Nc1ccc(NC(=O)c2ccco2)c(O)c1 c1coc(c1)[*:1] Nc1ccc(NC(=O)[*:1])c(O)c1
COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] COC(=O)C1=C(N)OC2CCCC(=O)C=2[C@H]1[*:1]
COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1 COC(=O)[*:1] NC1OC2CCCC(=O)C=2[C@@H](C=1[*:1])c1cccc(Br)c1
[O-]c1ccc(C[NH2+]Cc2ccsc2)[nH+]c1 c1cc(cs1)[*:1] [O-]c1ccc(C[NH2+]C[*:1])[nH+]c1
CCNC(=O)c1ccc(N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)nc1 CCNC(=O)[*:1] Fc1cc(ccc1Cl)[C@@H]1OCC[C@@H]1Nc1ccc(cn1)[*:1]
CCNC(=O)c1ccc(N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)nc1 Fc1cc(ccc1Cl)[*:1] CCNC(=O)c1ccc(nc1)N[C@H]1CCO[C@@H]1[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)cc1 C1CCC(CC1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(cc1)C(=O)N(C)[*:1]
CN(C)C=C(C#N)C(=O)c1ccc2ccccc2c1 CN(C)[*:1] N#CC(=C[*:1])C(=O)c1ccc2ccccc2c1
Cc1cc(Cl)ccc1NC(=O)CNc1ccccc1C(=O)N(C)C Cc1cc(Cl)ccc1[*:1] CN(C)C(=O)c1ccccc1NCC(=O)N[*:1]
Cc1cc(Cl)ccc1NC(=O)CNc1ccccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(Cl)ccc1NC(=O)CNc1ccccc1[*:1]
CC(C)C[C@H](NC(=O)Cc1ccon1)c1cccc(C(F)(F)F)c1 c1cc(no1)[*:1] CC(C)C[C@H](NC(=O)C[*:1])c1cccc(c1)C(F)(F)F
CC(C)C[C@H](NC(=O)Cc1ccon1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)C[C@H](NC(=O)Cc1ccon1)c1cccc(c1)[*:1]
CC(C)C[C@H](NC(=O)Cc1ccon1)c1cccc(C(F)(F)F)c1 CC(C)C[*:1] O=C(Cc1ccon1)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
CC(C)C[C@H](NC(=O)Cc1ccon1)c1cccc(C(F)(F)F)c1 c1cc(C[*:1])no1 CC(C)C[C@H](NC(=O)[*:1])c1cccc(c1)C(F)(F)F
CC(C)C[C@H](NC(=O)Cc1ccon1)c1cccc(C(F)(F)F)c1 CC(C)[*:1] O=C(Cc1ccon1)N[C@@H](C[*:1])c1cccc(c1)C(F)(F)F
CCC[C@@H]([NH3+])c1noc([O-])n1 CCC[*:1] [NH3+][C@@H](c1noc([O-])n1)[*:1]
COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 COCC[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N[*:1]
COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 COCCNC(=O)C[*:1] O=c1c2ccccc2nc(S[*:1])n1-c1ccc(Cl)cc1
COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 COCCNC(=O)[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1ccc(Cl)cc1
COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCNC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 COCCNC(=O)CS[*:1] O=c1c2ccccc2nc(n1-c1ccc(Cl)cc1)[*:1]
COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 COC[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)NC[*:1]
O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 Oc1ccc(Cl)cc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl
O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(Nc1cc(Cl)ccc1O)C1CCN(CC1)C(=O)[C@H]1C[C@H]1[*:1]
CC1=CC2=NC(=O)[C@](C)(CC(=O)[O-])N2C=C1 O=C([O-])[*:1] CC1C=CN2C(C=1)=NC(=O)[C@]2(C)C[*:1]
CC1=CC2=NC(=O)[C@](C)(CC(=O)[O-])N2C=C1 O=C([O-])C[*:1] CC1C=CN2C(C=1)=NC(=O)[C@@]2(C)[*:1]
CN(CCOc1cc(Cl)cc(Cl)c1)[C@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(CCOc1cc(Cl)cc(Cl)c1)[C@H]1CCC[C@H]1[*:1]
c1cn(-c2ccc(-c3nc(C4CCCCC4)no3)cc2)nn1 c1cn(nn1)[*:1] c1cc(ccc1-c1nc(no1)C1CCCCC1)[*:1]
c1cn(-c2ccc(-c3nc(C4CCCCC4)no3)cc2)nn1 C1CCC(CC1)[*:1] c1cn(nn1)-c1ccc(cc1)-c1nc(no1)[*:1]
Cc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 Cc1cc(no1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(Cl)cc1Cl
CC(C)(C)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CC(C)(C)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 CC(C)(C)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O)c1ccccc1
CCN(CC)C(=O)[C@H](c1ccccc1)N1CC(n2cccn2)C1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@H](N1CC(C1)n1cccn1)[*:1]
CCN(CC)C(=O)[C@H](c1ccccc1)N1CC(n2cccn2)C1 CCN(CC)C(=O)[*:1] c1ccc(cc1)[C@H](N1CC(C1)n1cccn1)[*:1]
CCN(CC)C(=O)[C@H](c1ccccc1)N1CC(n2cccn2)C1 c1cnn(c1)[*:1] CCN(CC)C(=O)[C@H](c1ccccc1)N1CC(C1)[*:1]
CC(C)[C@@](C)(CC(=O)NC[C@@H]1CN(C)CCO1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@](C)(CC(=O)NC[C@@H]1CN(C)CCO1)[*:1]
CC(C)[C@@](C)(CC(=O)NC[C@@H]1CN(C)CCO1)C(=O)[O-] CC(C)[*:1] CN1CCO[C@H](CNC(=O)C[C@](C)(C(=O)[O-])[*:1])C1
CC[C@H](CO)N1CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 O=C(N1CCCC1)[*:1] CC[C@H](CO)N1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
C/C(=C/c1ccc(F)cc1)C(=O)OCCc1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] C/C(=C/c1ccc(F)cc1)C(=O)OCC[*:1]
C/C(=C/c1ccc(F)cc1)C(=O)OCCc1c(C)n[nH]c1C Fc1ccc(cc1)[*:1] CC(=C[*:1])C(=O)OCCc1c(C)n[nH]c1C
CC1(C)[C@H]2CC[C@]1(C)[C@](O)(CC(=O)[O-])C2 O=C([O-])[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@](O)(C2)C[*:1]
CC1(C)[C@H]2CC[C@]1(C)[C@](O)(CC(=O)[O-])C2 O=C([O-])C[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@](O)(C2)[*:1]
O=C([O-])[C@@H]1CN(c2cccc(Cl)c2)CCO1 O=C([O-])[*:1] Clc1cccc(c1)N1CCO[C@@H](C1)[*:1]
O=C(Nc1c(F)cccc1F)c1ccc(OC[C@H]2CCCO2)cc1 C1CO[C@H](C1)CO[*:1] O=C(Nc1c(F)cccc1F)c1ccc(cc1)[*:1]
O=C(Nc1c(F)cccc1F)c1ccc(OC[C@H]2CCCO2)cc1 Fc1cccc(F)c1[*:1] O=C(N[*:1])c1ccc(cc1)OC[C@H]1CCCO1
N#Cc1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)CNCc1cnn(c1)C[*:1]
N#Cc1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1 c1ccc(cc1)C[*:1] N#Cc1ccc(cc1)CNCc1cnn(c1)[*:1]
CCc1cc(CNC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])on1 CCc1cc(on1)[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)NC[*:1]
CCc1cc(CNC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])on1 Cc1cc(F)ccc1[*:1] CCc1cc(CNC(=O)c2nn(cc2[O-])[*:1])on1
CCc1cc(CNC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])on1 CCc1cc(C[*:1])on1 Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)N[*:1]
CCOc1cc(CN2CCOCC23CCC3)ccc1OC(F)F FC(F)O[*:1] CCOc1cc(ccc1[*:1])CN1CCOCC12CCC2
CCOc1cc(CN2CCOCC23CCC3)ccc1OC(F)F CCO[*:1] FC(F)Oc1ccc(cc1[*:1])CN1CCOCC12CCC2
CCOc1cc(CN2CCOCC23CCC3)ccc1OC(F)F FC(F)[*:1] CCOc1cc(ccc1O[*:1])CN1CCOCC12CCC2
Cc1ccc(SCC(=O)N(C)Cc2ccccc2)c(N)c1 c1ccc(cc1)[*:1] Cc1ccc(SCC(=O)N(C)C[*:1])c(N)c1
Cc1ccc(SCC(=O)N(C)Cc2ccccc2)c(N)c1 c1ccc(cc1)C[*:1] Cc1ccc(SCC(=O)N(C)[*:1])c(N)c1
COc1cccc(Nc2ncnc(N(C)C)c2[N+](=O)[O-])c1 CN(C)[*:1] COc1cccc(c1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
COc1cccc(Nc2ncnc(N(C)C)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cccc(c1)Nc1ncnc(c1[*:1])N(C)C
O=C1CC2(CCCC2)C(=O)N1c1ccc(S(=O)(=O)NCc2cccnc2)cc1Cl c1cncc(c1)[*:1] O=C1CC2(CCCC2)C(=O)N1c1ccc(cc1Cl)S(=O)(=O)NC[*:1]
O=C1CC2(CCCC2)C(=O)N1c1ccc(S(=O)(=O)NCc2cccnc2)cc1Cl c1cncc(c1)C[*:1] O=C1CC2(CCCC2)C(=O)N1c1ccc(cc1Cl)S(=O)(=O)N[*:1]
COc1ccccc1-c1nnc(NC(=O)CCSc2ccc(F)cc2)o1 Fc1ccc(cc1)S[*:1] COc1ccccc1-c1nnc(NC(=O)CC[*:1])o1
COc1ccccc1-c1nnc(NC(=O)CCSc2ccc(F)cc2)o1 COc1ccccc1[*:1] O=C(CCSc1ccc(F)cc1)Nc1nnc(o1)[*:1]
COc1ccccc1-c1nnc(NC(=O)CCSc2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] COc1ccccc1-c1nnc(NC(=O)CCS[*:1])o1
Cc1csc([C@@H](C)NC(=O)c2ccc(C(N)=O)cc2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C(N)=O)[*:1]
Cc1csc([C@@H](C)NC(=O)c2ccc(C(N)=O)cc2)n1 NC(=O)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
O=S(=O)(/N=C(\[O-])C1CC=CC1)c1ccc(F)cc1C(F)(F)F FC(F)(F)[*:1] O=S(=O)(/N=C(\[O-])C1CC=CC1)c1ccc(F)cc1[*:1]
Cc1cc(C)n(C[C@H](C)n2cnc(-c3ccccc3)c2-c2ccoc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(C[C@H](C)n2cnc(c2-c2ccoc2)[*:1])n1
Cc1cc(C)n(C[C@H](C)n2cnc(-c3ccccc3)c2-c2ccoc2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C[*:1])n1cnc(-c2ccccc2)c1-c1ccoc1
Cc1cc(C)n(C[C@H](C)n2cnc(-c3ccccc3)c2-c2ccoc2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](n1cnc(-c2ccccc2)c1-c1ccoc1)[*:1]
Cc1cc(C)n(C[C@H](C)n2cnc(-c3ccccc3)c2-c2ccoc2)n1 c1cc(co1)[*:1] Cc1cc(C)n(C[C@H](C)n2cnc(-c3ccccc3)c2[*:1])n1
O=C(Nc1ccccc1-c1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)C[NH+]1CCOCC1
COc1ccc(CNC(=O)N2CCC[C@@H]2C2CCCCC2)c(OC)c1OC C1CCC(CC1)[*:1] COc1ccc(CNC(=O)N2CCC[C@H]2[*:1])c(OC)c1OC
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1ccccc1[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
C#CCOc1cccc(NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)c1 C#CC[*:1] CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2cccc(c2)O[*:1])C1
C#CCOc1cccc(NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)c1 C#CCO[*:1] CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2cccc(c2)[*:1])C1
C#CCOc1cccc(NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)c1 CC(C)[*:1] C#CCOc1cccc(c1)NC(=O)C[C@H]1CCCN(C1)C(=O)NC[*:1]
C#CCOc1cccc(NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)c1 CC(C)C[*:1] C#CCOc1cccc(c1)NC(=O)C[C@H]1CCCN(C1)C(=O)N[*:1]
CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Oc3cccnc3)nc2)C1 c1cncc(c1)[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc(nc1)O[*:1]
CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Oc3cccnc3)nc2)C1 c1cncc(c1)O[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc(nc1)[*:1]
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 N#Cc1ccc(cc1)C[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)O[*:1]
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 N#Cc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)OC[*:1]
CSc1nc(C(=O)N2CCC3(CC2)c2nc[nH]c2CC[NH+]3C)cs1 CSc1nc(cs1)[*:1] C[NH+]1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
Cc1ccc(C)c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)C(=O)Nc1cccc(c1)-c1nnnn1[*:1]
Cc1ccc(C)c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 C1CC1n1nnnc1[*:1] Cc1ccc(C)c(c1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C)c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Nc1cccc(c1)-c1nnnn1C1CC1)[*:1]
CC[C@@H](O)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 CC[C@@H](O)[*:1] Cc1cc(C)c(NC(=O)COc2ccc(cc2)[*:1])c(Cl)c1
Cc1ccc(OCC(=O)NNC(=O)c2cnn(C(C)C)c2C)cc1 Cc1ccc(cc1)O[*:1] Cc1c(cnn1C(C)C)C(=O)NNC(=O)C[*:1]
Cc1ccc(OCC(=O)NNC(=O)c2cnn(C(C)C)c2C)cc1 CC(C)[*:1] Cc1ccc(cc1)OCC(=O)NNC(=O)c1cnn(c1C)[*:1]
Cc1ccc(OCC(=O)NNC(=O)c2cnn(C(C)C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)NNC(=O)CO[*:1]
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2 c1csc(c1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1[*:1])c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccs1)c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2 c1ccc(cc1)C[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1cccs1)[*:1])c1ccc2OCCOc2c1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccs2)N1Cc1ccccc1
NC(=O)c1ccc(N2CCCC2)c(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 C1CCN(C1)[*:1] NC(=O)c1ccc(c(c1)NC(=O)COc1cccc(c1)N1CCCC1=O)[*:1]
NC(=O)c1ccc(N2CCCC2)c(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 NC(=O)[*:1] O=C(COc1cccc(c1)N1CCCC1=O)Nc1cc(ccc1N1CCCC1)[*:1]
NC(=O)c1ccc(N2CCCC2)c(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 O=C1CCCN1[*:1] NC(=O)c1ccc(c(c1)NC(=O)COc1cccc(c1)[*:1])N1CCCC1
O=C(NCCOc1cccc2ccccc12)N(CCO)C1CC1 C1CC1[*:1] O=C(NCCOc1cccc2ccccc12)N(CCO)[*:1]
O=C(NCCOc1cccc2ccccc12)N(CCO)C1CC1 OCC[*:1] O=C(NCCOc1cccc2ccccc12)N(C1CC1)[*:1]
O=S(=O)(/N=C(\[O-])Cc1cccc(F)c1F)c1cncc(Cl)c1 Clc1cncc(c1)[*:1] O=S(=O)(/N=C(\[O-])Cc1cccc(F)c1F)[*:1]
COc1c(C[NH+](C)Cc2cc(Br)cs2)c(C)nn1C Brc1csc(c1)[*:1] COc1c(C[NH+](C)C[*:1])c(C)nn1C
C[C@H](NC(=O)NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NC[C@H](O)C[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)NC[C@H](O)[*:1])c1ccc(Cl)s1
C[C@H](NC(=O)NC[C@H](O)Cc1ccccc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)NC[C@H](O)Cc1ccccc1)[*:1]
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C2CC2)CC[C@H]1[NH3+] O=[N+]([O-])[*:1] C[C@@H]1CN(CC[C@H]1[NH3+])C(=O)c1cc(cn1C1CC1)[*:1]
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C2CC2)CC[C@H]1[NH3+] C1CC1[*:1] C[C@@H]1CN(CC[C@H]1[NH3+])C(=O)c1cc(cn1[*:1])[N+](=O)[O-]
O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)N1CCCCC1 C1CN(CCO1)C[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])N1CCCCC1
O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)N1CCCCC1 C1CN(CCO1)[*:1] O=C(CN1CCN(CC1)C(=O)C[*:1])N1CCCCC1
O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(CN1CCOCC1)N1CCN(CC1)C[*:1]
COc1cc(/C=N/n2c(Cc3cccc4ccccc34)n[nH]c2=S)cc(OC)c1OC c1ccc2c(cccc2c1)[*:1] COc1cc(/C=N/n2c(C[*:1])n[nH]c2=S)cc(OC)c1OC
O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 Fc1ccc(cc1)C[*:1] O=C(NC[C@@H](O)c1cccc(c1)C(F)(F)F)[*:1]
O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1cccc(c1)[*:1]
O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NC[C@@H](O)c1cccc(c1)C(F)(F)F
O=C(Cn1c(C(=O)OCCO)cc2ccccc21)c1ccccc1 O=C(OCCO)[*:1] O=C(Cn1c(cc2ccccc21)[*:1])c1ccccc1
O=C(Cn1c(C(=O)OCCO)cc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] O=C(OCCO)c1cc2ccccc2n1CC(=O)[*:1]
O=C(Cn1c(C(=O)OCCO)cc2ccccc21)c1ccccc1 OCC[*:1] O=C(Cn1c(cc2ccccc21)C(=O)O[*:1])c1ccccc1
O=C(Cn1c(C(=O)OCCO)cc2ccccc21)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(OCCO)c1cc2ccccc2n1C[*:1]
CC(=O)N[C@@H](C(=O)Nc1cn[nH]c1)C1CCCC1 c1n[nH]cc1[*:1] CC(=O)N[C@@H](C(=O)N[*:1])C1CCCC1
CC(=O)N[C@@H](C(=O)Nc1cn[nH]c1)C1CCCC1 CC(=O)N[*:1] O=C(Nc1cn[nH]c1)[C@@H](C1CCCC1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1cn[nH]c1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)Nc1cn[nH]c1)[*:1]
CCSc1ccccc1NC(C)=O CCS[*:1] CC(=O)Nc1ccccc1[*:1]
CCSc1ccccc1NC(C)=O CC(=O)N[*:1] CCSc1ccccc1[*:1]
CC(=O)NCc1ccc(C(=O)NCCNC(=O)C2CC2)cc1 CC(=O)N[*:1] O=C(NCCNC(=O)C1CC1)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(C(=O)NCCNC(=O)C2CC2)cc1 CC(=O)NC[*:1] O=C(NCCNC(=O)C1CC1)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)NCCNC(=O)C2CC2)cc1 C1CC1[*:1] CC(=O)NCc1ccc(cc1)C(=O)NCCNC(=O)[*:1]
CC(=O)NCc1ccc(C(=O)NCCNC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 CC(=O)NCc1ccc(cc1)C(=O)NCC[*:1]
CC(=O)NCc1ccc(C(=O)NCCNC(=O)C2CC2)cc1 O=C(NC[*:1])C1CC1 CC(=O)NCc1ccc(cc1)C(=O)NC[*:1]
CCCNC(=O)NN1[C@@H](C)CCC[C@@H]1C CCC[*:1] C[C@H]1CCC[C@H](C)N1NC(=O)N[*:1]
CCc1c(O)nc(SCC(=O)Nc2c(C)cccc2C)n([C@@H](C)CC)c1=O Cc1cccc(C)c1[*:1] CCc1c(O)nc(SCC(=O)N[*:1])n(c1=O)[C@@H](C)CC
COCCN(C)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] COCCN(C)C(=O)N[C@H](C)c1nc(no1)[*:1]
COCCN(C)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 COCC[*:1] C[C@@H](NC(=O)N(C)[*:1])c1nc(no1)C1CCCC1
COCCN(C)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 COC[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1nc(no1)C1CCCC1
CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 CCC[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+][C@@H](C)C[*:1]
CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 CCCC[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+][C@@H](C)[*:1]
COc1cc(NS(C)(=O)=O)cc(OC)c1 CS(=O)(=O)N[*:1] COc1cc(cc(c1)[*:1])OC
COc1cccc(-n2nnc(-c3nc(C)c(C(=O)NCCc4ccc(Cl)cc4)s3)c2C)c1 COc1cccc(c1)[*:1] Cc1nc(sc1C(=O)NCCc1ccc(Cl)cc1)-c1nnn(c1C)[*:1]
COc1cccc(-n2nnc(-c3nc(C)c(C(=O)NCCc4ccc(Cl)cc4)s3)c2C)c1 Clc1ccc(cc1)C[*:1] COc1cccc(c1)-n1nnc(-c2nc(C)c(s2)C(=O)NC[*:1])c1C
COc1cccc(-n2nnc(-c3nc(C)c(C(=O)NCCc4ccc(Cl)cc4)s3)c2C)c1 Clc1ccc(cc1)CC[*:1] COc1cccc(c1)-n1nnc(-c2nc(C)c(s2)C(=O)N[*:1])c1C
COc1cccc(-n2nnc(-c3nc(C)c(C(=O)NCCc4ccc(Cl)cc4)s3)c2C)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)-n1nnc(-c2nc(C)c(s2)C(=O)NCC[*:1])c1C
CCc1cc(C)c(C(=O)N[C@@H](CO)CC(C)(C)C)o1 CC(C)(C)C[*:1] CCc1cc(C)c(o1)C(=O)N[C@@H](CO)[*:1]
CCc1cc(C)c(C(=O)N[C@@H](CO)CC(C)(C)C)o1 CC(C)(C)[*:1] CCc1cc(C)c(o1)C(=O)N[C@@H](CO)C[*:1]
O=C(C/C=C/c1cccc(F)c1)N[C@H](CO)c1ccccc1F Fc1cccc(c1)[*:1] O=C(CC=C[*:1])N[C@H](CO)c1ccccc1F
O=C(C/C=C/c1cccc(F)c1)N[C@H](CO)c1ccccc1F Fc1ccccc1[*:1] O=C(C/C=C/c1cccc(F)c1)N[C@H](CO)[*:1]
C=CCOc1cccc(NC(=O)/C=C/c2ccccc2)c1 c1ccc(cc1)[*:1] C=CCOc1cccc(c1)NC(=O)C=C[*:1]
C=CCOc1cccc(NC(=O)/C=C/c2ccccc2)c1 C=CCO[*:1] O=C(/C=C/c1ccccc1)Nc1cccc(c1)[*:1]
C=CCOc1cccc(NC(=O)/C=C/c2ccccc2)c1 C=CC[*:1] O=C(/C=C/c1ccccc1)Nc1cccc(c1)O[*:1]
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)O1 c1csc(c1)[*:1] O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)[*:1])O1
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)O1 O=C([O-])[*:1] O=S(=O)(NC[C@H]1CC[C@@H](O1)[*:1])c1cccs1
COC[C@@H](C)[NH+]1CCN(Cc2cnc3nc(C)cc(C)n23)CC1 COC[*:1] Cc1cc(C)n2c(cnc2n1)CN1CC[NH+](CC1)[C@H](C)[*:1]
COc1ccc2c(Cn3cc([N+](=O)[O-])ccc3=O)cc(=O)oc2c1 O=[N+]([O-])[*:1] COc1ccc2c(cc(=O)oc2c1)Cn1cc(ccc1=O)[*:1]
Cc1ccc(N2CC[C@H](C(=O)NCC(=O)OCc3ccccc3)C2=O)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)N1CC[C@H](C(=O)NCC(=O)O[*:1])C1=O
Cc1ccc(N2CC[C@H](C(=O)NCC(=O)OCc3ccccc3)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(CNC(=O)[C@H]1CCN(C1=O)[*:1])OCc1ccccc1
Cc1ccc(N2CC[C@H](C(=O)NCC(=O)OCc3ccccc3)C2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N1CC[C@H](C(=O)NCC(=O)OC[*:1])C1=O
CNC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CNC(=O)NC(=O)COc1ccc(cc1)[*:1]
O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2)s1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1nnc(s1)S(=O)(=O)NCc1ccccc1)[*:1]
O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2)s1)C1CCCCC1 c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)S(=O)(=O)NC[*:1])C1CCCCC1
O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2)s1)C1CCCCC1 c1ccc(cc1)C[*:1] O=C(Nc1nnc(s1)S(=O)(=O)N[*:1])C1CCCCC1
Cc1ccccc1CC(=O)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1 Cc1ccccc1[*:1] O=C(C[*:1])Nc1ccc(cc1)SCc1nc2ccccc2[nH]c1=O
Cc1ccccc1CC(=O)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1 Cc1ccccc1C[*:1] O=C(Nc1ccc(cc1)SCc1nc2ccccc2[nH]c1=O)[*:1]
N#C[C@@]1(NC2CC2)CCC[C@@H](n2cnc3ccccc32)C1 C1CC1N[*:1] N#C[C@]1(CCC[C@H](C1)n1cnc2ccccc21)[*:1]
N#C[C@@]1(NC2CC2)CCC[C@@H](n2cnc3ccccc32)C1 C1CC1[*:1] N#C[C@]1(CCC[C@H](C1)n1cnc2ccccc21)N[*:1]
O=C(NC[C@H]1Cc2cccc(F)c2O1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NC[C@H]1Cc2cccc(F)c2O1)c1ccccc1[*:1]
CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(OC)c(Cl)c1 CC[C@H](C)[*:1] COc1ccc(cc1Cl)NC(=O)COc1ccccc1[*:1]
CCNc1nccc(-c2cccc(C)c2C)n1 CCN[*:1] Cc1cccc(-c2ccnc(n2)[*:1])c1C
O=C(N[C@@H](CCO)c1cccs1)c1c(O)cc(Cl)cc1Cl c1csc(c1)[*:1] O=C(N[C@@H](CCO)[*:1])c1c(O)cc(Cl)cc1Cl
O=C(N[C@@H](CCO)c1cccs1)c1c(O)cc(Cl)cc1Cl OCC[*:1] O=C(N[C@@H](c1cccs1)[*:1])c1c(O)cc(Cl)cc1Cl
O=C(Cn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21)c1ccccc1 c1cc2OCOc2cc1[*:1] O=C(Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1
O=C(Cn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C[C@H](CN1c1ccc2OCOc2c1)c1nc2ccccc2n1C[*:1]
O=C(Cn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21)c1ccccc1 O=C(C[*:1])c1ccccc1 O=C1C[C@H](CN1c1ccc2OCOc2c1)c1nc2ccccc2n1[*:1]
O=C(Cn1c([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1c1ccc2OCOc2c1)c1nc2ccccc2n1CC(=O)[*:1]
Cc1oc(C(=O)N[C@@H]2CCCCc3ccccc32)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N[C@@H]1CCCCc2ccccc21
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c2cccnc12 O=C1CN(CCN1)S(=O)(=O)[*:1] Cc1ccc(NC(=O)c2cccc(c2)[*:1])c2cccnc12
C[C@H]1CCC[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C1 CN(C)[*:1] C[C@H]1CCC[C@H](C1)[NH2+]C[C@@H](c1ccco1)[*:1]
C[C@H]1CCC[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C1 c1coc(c1)[*:1] C[C@H]1CCC[C@H](C1)[NH2+]C[C@@H](N(C)C)[*:1]
C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)c2ccccc21 c1ccc(cc1)C[*:1] C[C@@H]1CCN(C(=O)[C@H](n2cnnn2)[*:1])c2ccccc21
C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)c2ccccc21 c1ccc(cc1)[*:1] C[C@@H]1CCN(C(=O)[C@H](C[*:1])n2cnnn2)c2ccccc21
C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)c2ccccc21 c1nnnn1[*:1] C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)[*:1])c2ccccc21
O=C(c1cccc(F)c1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 c1csc(c1)[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)Cc1nc(cs1)[*:1]
O=C(c1cccc(F)c1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 Fc1cccc(c1)[*:1] O=C(N1CCN(CC1)Cc1nc(cs1)-c1cccs1)[*:1]
C[C@@H](CN(C)C(=O)[C@@H]1CSc2ccccc21)C(N)=S C[C@@H](C[*:1])C(N)=S CN(C(=O)[C@@H]1CSc2ccccc21)[*:1]
C[C@@H](CN(C)C(=O)[C@@H]1CSc2ccccc21)C(N)=S C[C@@H](C(N)=S)[*:1] CN(C[*:1])C(=O)[C@@H]1CSc2ccccc21
C[C@@H](CN(C)C(=O)[C@@H]1CSc2ccccc21)C(N)=S NC(=S)[*:1] C[C@@H](CN(C)C(=O)[C@@H]1CSc2ccccc21)[*:1]
Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1ccc(N(C)C)cc1 C1CC1c1nc(no1)[*:1] Cc1sc(cc1NC(=O)c1ccc(cc1)N(C)C)[*:1]
Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1ccc(N(C)C)cc1 C1CC1[*:1] Cc1sc(cc1NC(=O)c1ccc(cc1)N(C)C)-c1noc(n1)[*:1]
Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1ccc(N(C)C)cc1 CN(C)[*:1] Cc1sc(cc1NC(=O)c1ccc(cc1)[*:1])-c1noc(n1)C1CC1
CCOCCNC(=O)NCc1coc(-c2ccc(C)cc2)n1 CCOCC[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)N[*:1]
CCOCCNC(=O)NCc1coc(-c2ccc(C)cc2)n1 CCO[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)NCC[*:1]
CCOCCNC(=O)NCc1coc(-c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCOCCNC(=O)NCc1coc(n1)[*:1]
CCOCCNC(=O)NCc1coc(-c2ccc(C)cc2)n1 CCOC[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)NC[*:1]
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ccccc2C)cc1 Cc1ccccc1[*:1] CCc1ccc(cc1)C(=O)NNC(=O)N[C@@H](C)[*:1]
CCc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ccccc2C)cc1 CCc1ccc(cc1)[*:1] Cc1ccccc1[C@H](C)NC(=O)NNC(=O)[*:1]
CCCSC1=NC(=O)[C@H]2C(=N1)N=C(C)/C(=C(/[O-])OC)[C@H]2c1cccs1 CCC[*:1] CO/C([O-])=C1\C(C)=NC2=NC(=NC(=O)[C@@H]2[C@@H]1c1cccs1)S[*:1]
CCCSC1=NC(=O)[C@H]2C(=N1)N=C(C)/C(=C(/[O-])OC)[C@H]2c1cccs1 c1csc(c1)[*:1] CCCSC1=NC(=O)[C@H]2C(N=C(C)/C(=C(/[O-])OC)[C@@H]2[*:1])=N1
COC[C@H](N)C(C)(C)[NH+]1CCCCC1 COC[*:1] CC(C)([C@@H](N)[*:1])[NH+]1CCCCC1
CC[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 Brc1ccc(cc1)O[*:1] CC[C@@H](NC(=O)C[*:1])c1ccc2OCCOc2c1
CC[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 Brc1ccc(cc1)[*:1] CC[C@@H](NC(=O)CO[*:1])c1ccc2OCCOc2c1
CC(=O)Nc1ccc(NC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])N(C1CC1)[C@H]1CCCc2ccccc21
CC(=O)Nc1ccc(NC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cc1 C1CC1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)N([C@H]1CCCc2ccccc21)[*:1]
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(NC[C@@H]([NH+]1CCCCC1)[*:1])c1ccc(Br)cc1
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)[*:1]
C/C(=N\NC(=O)c1cccc(Br)c1)c1cccs1 c1csc(c1)[*:1] CC(=NNC(=O)c1cccc(Br)c1)[*:1]
CC1CCC(N(C)C(=O)CNC(=O)c2cccc(Cl)c2)CC1 CC1CCC(CC1)[*:1] CN(C(=O)CNC(=O)c1cccc(Cl)c1)[*:1]
CC1CCC(N(C)C(=O)CNC(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC1CCC(CC1)N(C)C(=O)CNC(=O)[*:1]
CC[C@]1(c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2)CCC(=O)NC1=O FC(F)[*:1] CC[C@@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)c1ccc(cc1)S[*:1]
CC[C@]1(c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2)CCC(=O)NC1=O FC(F)S[*:1] CC[C@@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
Cc1csc(C2([NH2+]CC(=O)N(Cc3ccccc3)C(C)C)CCCC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)C1(CCCC1)[NH2+]CC(=O)N(C[*:1])C(C)C
Cc1csc(C2([NH2+]CC(=O)N(Cc3ccccc3)C(C)C)CCCC2)n1 Cc1csc(n1)[*:1] CC(C)N(Cc1ccccc1)C(=O)C[NH2+]C1(CCCC1)[*:1]
Cc1csc(C2([NH2+]CC(=O)N(Cc3ccccc3)C(C)C)CCCC2)n1 CC(C)[*:1] Cc1csc(n1)C1(CCCC1)[NH2+]CC(=O)N(Cc1ccccc1)[*:1]
Cc1csc(C2([NH2+]CC(=O)N(Cc3ccccc3)C(C)C)CCCC2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)C1(CCCC1)[NH2+]CC(=O)N(C(C)C)[*:1]
CCCn1ccnc1[C@@H](O)c1c[nH]nc1-c1ccccc1 c1ccc(cc1)[*:1] CCCn1ccnc1[C@@H](O)c1c[nH]nc1[*:1]
CCCn1ccnc1[C@@H](O)c1c[nH]nc1-c1ccccc1 CCC[*:1] O[C@@H](c1c[nH]nc1-c1ccccc1)c1nccn1[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H](C)c1nnc2ccccn12 CC(C)[*:1] C[C@H](NC(=O)N(C[C@H]1C[C@@H]1C)[*:1])c1nnc2ccccn12
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H](C)c1nnc2ccccn12 C[C@H]1C[C@@H]1C[*:1] CC(C)N(C(=O)N[C@@H](C)c1nnc2ccccn12)[*:1]
CC1(C)CC[C@@H](CNS(=O)(=O)CCCS(C)(=O)=O)c2ccccc21 CS(=O)(=O)CCC[*:1] CC1(C)CC[C@@H](CNS(=O)(=O)[*:1])c2ccccc21
CC1(C)CC[C@@H](CNS(=O)(=O)CCCS(C)(=O)=O)c2ccccc21 CS(=O)(=O)[*:1] CC1(C)CC[C@@H](CNS(=O)(=O)CCC[*:1])c2ccccc21
CC1(C)CC[C@@H](CNS(=O)(=O)CCCS(C)(=O)=O)c2ccccc21 CS(=O)(=O)C[*:1] CC1(C)CC[C@@H](CNS(=O)(=O)CC[*:1])c2ccccc21
CC1(C)CC[C@@H](CNS(=O)(=O)CCCS(C)(=O)=O)c2ccccc21 CS(=O)(=O)CC[*:1] CC1(C)CC[C@@H](CNS(=O)(=O)C[*:1])c2ccccc21
O=S(=O)(Nc1cnn(Cc2ccccc2F)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(Nc1cnn(c1)Cc1ccccc1F)[*:1]
O=S(=O)(Nc1cnn(Cc2ccccc2F)c1)c1ccc(Cl)cc1 Fc1ccccc1[*:1] O=S(=O)(Nc1cnn(c1)C[*:1])c1ccc(Cl)cc1
O=S(=O)(Nc1cnn(Cc2ccccc2F)c1)c1ccc(Cl)cc1 Fc1ccccc1C[*:1] O=S(=O)(Nc1cnn(c1)[*:1])c1ccc(Cl)cc1
Cc1csc(N2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)n1 Cc1csc(n1)[*:1] c1ccc(nc1)-c1noc(C[NH+]2CCN(CC2)[*:1])n1
Cc1csc(N2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)n1 c1ccc(nc1)[*:1] Cc1csc(n1)N1CC[NH+](CC1)Cc1nc(no1)[*:1]
CC(C)(C)OC(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2CO)c1 CC(C)(C)OC(=O)[*:1] O=C(N[C@H]1CCC[C@H]1CO)c1cccc(c1)[*:1]
CC(C)(C)OC(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2CO)c1 CC(C)(C)[*:1] O=C(N[C@H]1CCC[C@H]1CO)c1cccc(c1)C(=O)O[*:1]
CN(C)/C=N\C(=O)c1cc(C(=O)c2ccc(C(C)(C)C)cc2)c[nH]1 CC(C)(C)[*:1] CN(C)/C=N\C(=O)c1cc(c[nH]1)C(=O)c1ccc(cc1)[*:1]
CN(C)/C=N\C(=O)c1cc(C(=O)c2ccc(C(C)(C)C)cc2)c[nH]1 CN(C)/C=N\C(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)c1c[nH]c(c1)[*:1]
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F Fc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)[*:1])c1ccccc1C(F)(F)F
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccc(F)cc1)c1ccccc1[*:1]
CCc1nc([C@H](C)NC(=O)[C@@H](C(C)C)n2cnc3cc(F)c(F)cc32)cs1 CCc1nc(cs1)[C@H](C)[*:1] CC(C)[C@H](C(=O)N[*:1])n1cnc2cc(F)c(F)cc21
CCc1nc([C@H](C)NC(=O)[C@@H](C(C)C)n2cnc3cc(F)c(F)cc32)cs1 CCc1nc(cs1)[*:1] CC(C)[C@H](C(=O)N[C@@H](C)[*:1])n1cnc2cc(F)c(F)cc21
CCc1nc([C@H](C)NC(=O)[C@@H](C(C)C)n2cnc3cc(F)c(F)cc32)cs1 CC(C)[*:1] CCc1nc(cs1)[C@H](C)NC(=O)[C@@H](n1cnc2cc(F)c(F)cc21)[*:1]
Cc1ncsc1CC[S@](=O)Cc1cc(=O)n2c(C)csc2n1 Cc1ncsc1C[*:1] Cc1csc2nc(cc(=O)n12)C[S@@](=O)C[*:1]
Cc1ncsc1CC[S@](=O)Cc1cc(=O)n2c(C)csc2n1 Cc1ncsc1[*:1] Cc1csc2nc(cc(=O)n12)C[S@@](=O)CC[*:1]
O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(Cc1cnn(c1)-c1ccccc1)N[C@@H](C[*:1])C1CC1
O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C(Cc1cnn(c1)-c1ccccc1)N[C@@H](C1CC1)[*:1]
O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(Cc1cnn(c1)[*:1])N[C@@H](Cc1ccccc1)C1CC1
O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H](Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(Cc1cnn(c1)-c1ccccc1)N[C@@H](Cc1ccccc1)[*:1]
CC[n+]1cc(NC(=O)CSc2nc(N)c(C#N)c(-c3ccc(C(C)C)cc3)c2C#N)on1 CC(C)c1ccc(cc1)[*:1] CC[n+]1cc(NC(=O)CSc2nc(N)c(C#N)c(c2C#N)[*:1])on1
CC[n+]1cc(NC(=O)CSc2nc(N)c(C#N)c(-c3ccc(C(C)C)cc3)c2C#N)on1 CC(C)[*:1] CC[n+]1cc(NC(=O)CSc2nc(N)c(C#N)c(-c3ccc(cc3)[*:1])c2C#N)on1
O=C(NCc1ccncc1)c1cc(Br)ccc1-n1cnnn1 c1nnnn1[*:1] O=C(NCc1ccncc1)c1cc(Br)ccc1[*:1]
O=C(NCc1ccncc1)c1cc(Br)ccc1-n1cnnn1 c1cc(ccn1)[*:1] O=C(NC[*:1])c1cc(Br)ccc1-n1cnnn1
O=C(NCc1ccncc1)c1cc(Br)ccc1-n1cnnn1 c1cc(ccn1)C[*:1] O=C(N[*:1])c1cc(Br)ccc1-n1cnnn1
O=[N+]([O-])c1cccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1 O=[N+]([O-])[*:1] OC[C@H]1O[C@H](Oc2cccc(c2)[*:1])[C@H](O)[C@@H](O)[C@H]1O
CNC(=O)[C@@H]1CN(CCc2c[nH]c3ccccc23)CCN1C(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CNC(=O)[C@@H]1CN(CCc2c[nH]c3ccccc23)CCN1C(=O)c1cccc(c1)[*:1]
CNC(=O)[C@@H]1CN(CCc2c[nH]c3ccccc23)CCN1C(=O)c1cccc(C(F)(F)F)c1 CNC(=O)[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCN(CCc2c[nH]c3ccccc23)C[C@H]1[*:1]
CNC(=O)[C@@H]1CN(CCc2c[nH]c3ccccc23)CCN1C(=O)c1cccc(C(F)(F)F)c1 c1ccc2c(c[nH]c2c1)CC[*:1] CNC(=O)[C@@H]1CN(CCN1C(=O)c1cccc(c1)C(F)(F)F)[*:1]
CNC(=O)[C@@H]1CN(CCc2c[nH]c3ccccc23)CCN1C(=O)c1cccc(C(F)(F)F)c1 c1ccc2c(c[nH]c2c1)[*:1] CNC(=O)[C@@H]1CN(CCN1C(=O)c1cccc(c1)C(F)(F)F)CC[*:1]
CNC(=O)[C@@H]1CN(CCc2c[nH]c3ccccc23)CCN1C(=O)c1cccc(C(F)(F)F)c1 c1ccc2c(c[nH]c2c1)C[*:1] CNC(=O)[C@@H]1CN(CCN1C(=O)c1cccc(c1)C(F)(F)F)C[*:1]
CNC(=O)[C@@H]1CN(CCc2c[nH]c3ccccc23)CCN1C(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] CNC(=O)[C@@H]1CN(CCc2c[nH]c3ccccc23)CCN1C(=O)[*:1]
Cc1nn(C)cc1CCC(=O)N(C)Cc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)cc1CCC(=O)N(C)Cc1nccn1C[*:1]
Cc1nn(C)cc1CCC(=O)N(C)Cc1nccn1Cc1ccccc1 Cc1nn(C)cc1C[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)C[*:1]
Cc1nn(C)cc1CCC(=O)N(C)Cc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(C)cc1CCC(=O)N(C)Cc1nccn1[*:1]
Cc1nn(C)cc1CCC(=O)N(C)Cc1nccn1Cc1ccccc1 Cc1nn(C)cc1[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)CC[*:1]
Cc1occc1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1nccn1C Cn1ccnc1[*:1] Cc1occc1C(=O)OCC(=O)N[C@@H](c1ccccc1)[*:1]
Cc1occc1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1nccn1C c1ccc(cc1)[*:1] Cc1occc1C(=O)OCC(=O)N[C@@H](c1nccn1C)[*:1]
Cc1occc1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1nccn1C Cc1occc1[*:1] Cn1ccnc1[C@@H](NC(=O)COC(=O)[*:1])c1ccccc1
O=C(NCc1cc(Cl)ccn1)Nc1cccc(N2CCCCC2)c1 C1CCN(CC1)[*:1] O=C(NCc1cc(Cl)ccn1)Nc1cccc(c1)[*:1]
O=C(NCc1cc(Cl)ccn1)Nc1cccc(N2CCCCC2)c1 Clc1ccnc(c1)C[*:1] O=C(Nc1cccc(c1)N1CCCCC1)N[*:1]
O=C(NCc1cc(Cl)ccn1)Nc1cccc(N2CCCCC2)c1 Clc1ccnc(c1)[*:1] O=C(NC[*:1])Nc1cccc(c1)N1CCCCC1
O=c1c([N+](=O)[O-])c(N[C@H]2CCCc3ccccc32)nc2ccccn12 O=[N+]([O-])[*:1] O=c1c(c(nc2ccccn12)N[C@H]1CCCc2ccccc21)[*:1]
Cc1cc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)sc1C c1coc(c1)[*:1] Cc1cc(sc1C)S(=O)(=O)N(Cc1cccnc1)C[*:1]
Cc1cc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)sc1C Cc1cc(sc1C)[*:1] O=S(=O)(N(Cc1cccnc1)Cc1ccco1)[*:1]
Cc1cc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)sc1C c1cncc(c1)[*:1] Cc1cc(sc1C)S(=O)(=O)N(Cc1ccco1)C[*:1]
Cc1cc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)sc1C c1cncc(c1)C[*:1] Cc1cc(sc1C)S(=O)(=O)N(Cc1ccco1)[*:1]
Cc1cc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)sc1C c1coc(c1)C[*:1] Cc1cc(sc1C)S(=O)(=O)N(Cc1cccnc1)[*:1]
CCOc1ccccc1NC(=O)Nc1cc(C)cn(Cc2ccc(C)cc2)c1=O Cc1ccc(cc1)C[*:1] CCOc1ccccc1NC(=O)Nc1cc(C)cn(c1=O)[*:1]
CCOc1ccccc1NC(=O)Nc1cc(C)cn(Cc2ccc(C)cc2)c1=O Cc1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)Nc1cc(C)cn(C[*:1])c1=O
CCOc1ccccc1NC(=O)Nc1cc(C)cn(Cc2ccc(C)cc2)c1=O CCO[*:1] Cc1ccc(cc1)Cn1cc(C)cc(NC(=O)Nc2ccccc2[*:1])c1=O
CCOc1ccccc1NC(=O)Nc1cc(C)cn(Cc2ccc(C)cc2)c1=O CCOc1ccccc1[*:1] Cc1ccc(cc1)Cn1cc(C)cc(NC(=O)N[*:1])c1=O
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(C[*:1])o1
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)cc1 Cc1ccc(cc1C)C[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(o1)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)Cc1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)[*:1])o1
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)cc1 Fc1ccc(c(F)c1)[*:1] CC[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
O=C(NCN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1CNC(=O)[*:1]
CC(C)(C)c1ccc(C(=O)C[C@H](C(=O)[O-])[NH+]2CCCC2)cc1 CC(C)(C)[*:1] O=C(C[C@H](C(=O)[O-])[NH+]1CCCC1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)C[C@H](C(=O)[O-])[NH+]2CCCC2)cc1 O=C([O-])[*:1] CC(C)(C)c1ccc(cc1)C(=O)C[C@H]([NH+]1CCCC1)[*:1]
CCOc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)c2ccccn2)CC1 c1ccc(nc1)[*:1] CCOc1ccccc1NC(=O)C(=O)NCC1CCN(CC1)C(=O)[*:1]
CCOc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)c2ccccn2)CC1 CCOc1ccccc1[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccccn1)C(=O)N[*:1]
CCOc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)c2ccccn2)CC1 CCO[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccccn1)C(=O)Nc1ccccc1[*:1]
C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F FC(F)(F)[*:1] C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1[*:1]
Cc1nn(CCC(=O)N[C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] C1CO[C@@H](C1)[*:1] Cc1nn(cc1[N+](=O)[O-])CCC(=O)N[C@H](C)[*:1]
Cc1nn(CCC(=O)N[C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(cc1[*:1])CCC(=O)N[C@H](C)[C@@H]1CCCO1
Cc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@H]2c2cccc(F)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CN[*:1])NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1
Cc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@H]2c2cccc(F)c2)c(C)c1 Fc1cccc(c1)[*:1] Cc1ccc(NCC(=O)NNC(=O)[C@H]2C[C@@H]2[*:1])c(C)c1
CCc1ccc(N/C(=N/C(=O)c2ccc(C)cc2)NC[C@@H]2CCCO2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)/N=C(\NC[C@@H]1CCCO1)N[*:1]
CCc1ccc(N/C(=N/C(=O)c2ccc(C)cc2)NC[C@@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)N/C(=N/C(=O)[*:1])NC[C@@H]1CCCO1
O=C(C[NH+](Cc1ccco1)Cc1ccco1)Nc1ccccc1 c1coc(c1)C[*:1] O=C(C[NH+](Cc1ccco1)[*:1])Nc1ccccc1
O=C(C[NH+](Cc1ccco1)Cc1ccco1)Nc1ccccc1 c1coc(c1)[*:1] O=C(C[NH+](Cc1ccco1)C[*:1])Nc1ccccc1
O=C(C[NH+](Cc1ccco1)Cc1ccco1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+](Cc1ccco1)Cc1ccco1)N[*:1]
COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1 CC(=O)N[*:1] COc1ccc(Cl)cc1C(=O)Nc1nc(cs1)-c1ccc(cc1)C[*:1]
COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1 COc1ccc(Cl)cc1[*:1] CC(=O)NCc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1 CC(=O)NC[*:1] COc1ccc(Cl)cc1C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
Cc1ccc(OC(=O)c2cccc(C[S@@](C)=O)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OC(=O)c2cccc(c2)C[S@@](C)=O)c(c1)[*:1]
CC(C)[C@H](CNC(=O)N(C)Cc1ccc(O)cc1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@H](CNC(=O)N(C)Cc1ccc(O)cc1)[*:1]
CC(C)[C@H](CNC(=O)N(C)Cc1ccc(O)cc1)N1CCOCC1 Oc1ccc(cc1)C[*:1] CC(C)[C@H](CNC(=O)N(C)[*:1])N1CCOCC1
CC(C)[C@H](CNC(=O)N(C)Cc1ccc(O)cc1)N1CCOCC1 CC(C)[*:1] CN(Cc1ccc(O)cc1)C(=O)NC[C@H](N1CCOCC1)[*:1]
CC(C)[C@H](CNC(=O)N(C)Cc1ccc(O)cc1)N1CCOCC1 Oc1ccc(cc1)[*:1] CC(C)[C@H](CNC(=O)N(C)C[*:1])N1CCOCC1
CCN(C)[C@H](C[NH3+])CC(=O)NC1CC1 C1CC1[*:1] CCN(C)[C@H](C[NH3+])CC(=O)N[*:1]
CCN(C)[C@H](C[NH3+])CC(=O)NC1CC1 CCN(C)[*:1] [NH3+]C[C@H](CC(=O)NC1CC1)[*:1]
CC[C@](C)([NH2+]CC(=O)N[C@H](C)c1cccs1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)([NH2+]CC(=O)N[C@H](C)c1cccs1)[*:1]
CC[C@](C)([NH2+]CC(=O)N[C@H](C)c1cccs1)C(=O)[O-] c1csc(c1)[*:1] CC[C@](C)([NH2+]CC(=O)N[C@H](C)[*:1])C(=O)[O-]
O=C(Nc1ccc(Cl)c(F)c1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[*:1]
CC(C)OCCC(=O)N1CCOc2c(Cl)cccc21 CC(C)[*:1] O=C(CCO[*:1])N1CCOc2c(Cl)cccc21
CC(C)OCCC(=O)N1CCOc2c(Cl)cccc21 CC(C)OCC[*:1] O=C(N1CCOc2c(Cl)cccc21)[*:1]
CC(C)OCCC(=O)N1CCOc2c(Cl)cccc21 CC(C)OC[*:1] O=C(C[*:1])N1CCOc2c(Cl)cccc21
CC(C)OCCC(=O)N1CCOc2c(Cl)cccc21 CC(C)O[*:1] O=C(CC[*:1])N1CCOc2c(Cl)cccc21
CC(C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1CC(C)(C)C CC(C)(C)C[*:1] CC(C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1[*:1]
CC(C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1CC(C)(C)C CC(C)(C)[*:1] CC(C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1C[*:1]
CC(C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1CC(C)(C)C CC(C)[*:1] CC(C)(C)CN1C(=O)[C@@H]2CCCN2C(=O)[C@H]1[*:1]
CCN(CCC#N)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C N#CCC[*:1] CCN(C(=O)Nc1cc(ccc1C)NC(=O)c1ccccc1)[*:1]
CCN(CCC#N)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C c1ccc(cc1)[*:1] CCN(CCC#N)C(=O)Nc1cc(ccc1C)NC(=O)[*:1]
CCN(CCC#N)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C N#CC[*:1] CCN(C[*:1])C(=O)Nc1cc(ccc1C)NC(=O)c1ccccc1
CCc1oc2ccccc2c1/C=N/OCc1cc(C)on1 Cc1cc(C[*:1])no1 CCc1oc2ccccc2c1/C=N/O[*:1]
CCc1oc2ccccc2c1/C=N/OCc1cc(C)on1 Cc1cc(no1)[*:1] CCc1oc2ccccc2c1/C=N/OC[*:1]
O=C(CCCCO)N1CCN(Cc2ccc(Cl)s2)CC1 OCC[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1ccc(Cl)s1
O=C(CCCCO)N1CCN(Cc2ccc(Cl)s2)CC1 OCCCC[*:1] O=C(N1CCN(CC1)Cc1ccc(Cl)s1)[*:1]
O=C(CCCCO)N1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] O=C(CCCCO)N1CCN(CC1)C[*:1]
O=C(CCCCO)N1CCN(Cc2ccc(Cl)s2)CC1 OCCC[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccc(Cl)s1
O=C(C[C@H]1CCS(=O)(=O)C1)Oc1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)Oc1ccccc1C[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)Oc1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)Oc1ccccc1[*:1]
CCC1(CNC(=O)N[C@@H](C)c2nnnn2-c2ccccc2)CCC1 CCC1(CCC1)[*:1] C[C@H](NC(=O)NC[*:1])c1nnnn1-c1ccccc1
CCC1(CNC(=O)N[C@@H](C)c2nnnn2-c2ccccc2)CCC1 CCC1(CCC1)C[*:1] C[C@H](NC(=O)N[*:1])c1nnnn1-c1ccccc1
CCC1(CNC(=O)N[C@@H](C)c2nnnn2-c2ccccc2)CCC1 c1ccc(cc1)[*:1] CCC1(CCC1)CNC(=O)N[C@@H](C)c1nnnn1[*:1]
O=C(NCCn1cccn1)c1ccc2occc2c1 c1cnn(c1)[*:1] O=C(NCC[*:1])c1ccc2occc2c1
O=C(NCCn1cccn1)c1ccc2occc2c1 c1cnn(c1)C[*:1] O=C(NC[*:1])c1ccc2occc2c1
Cc1c(C[NH2+][C@H](C)Cn2ccnc2)cnn1C c1cn(cn1)[*:1] Cc1c(cnn1C)C[NH2+][C@H](C)C[*:1]
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1N1CCCCC1=O O=C1CCCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccc(cc1Cl)[N+](=O)[O-]
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1N1CCCCC1=O O=[N+]([O-])[*:1] Cc1ccc(cc1N1CCCCC1=O)NC(=O)c1ccc(cc1Cl)[*:1]
[NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(ccc1F)[*:1]
CC(C)N1C[C@@H](C(=O)Oc2ccc3c(c2)CCC(=O)N3)CC1=O CC(C)[*:1] O=C1CCc2cc(ccc2N1)OC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H](C)CC2(C)OCCO2)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1c[nH]nc1[*:1])CC1(C)OCCO1
COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H](C)CC2(C)OCCO2)cc1 CC1(C[*:1])OCCO1 COc1ccc(cc1)-c1n[nH]cc1C(=O)NC[C@@H](C)[*:1]
COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H](C)CC2(C)OCCO2)cc1 CC1(OCCO1)[*:1] COc1ccc(cc1)-c1n[nH]cc1C(=O)NC[C@@H](C)C[*:1]
O=[N+]([O-])c1ccc2[nH]nc(OCc3ccc(Cl)cc3)c2c1 O=[N+]([O-])[*:1] Clc1ccc(cc1)COc1n[nH]c2ccc(cc12)[*:1]
O=[N+]([O-])c1ccc2[nH]nc(OCc3ccc(Cl)cc3)c2c1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc2[nH]nc(OC[*:1])c2c1
O=C(NCC1(O)CCCCC1)Nc1cnn(C[C@@H]2CCCO2)c1 OC1(CCCCC1)[*:1] O=C(NC[*:1])Nc1cnn(c1)C[C@@H]1CCCO1
O=C(NCC1(O)CCCCC1)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] O=C(NCC1(O)CCCCC1)Nc1cnn(c1)[*:1]
O=C(NCC1(O)CCCCC1)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] O=C(NCC1(O)CCCCC1)Nc1cnn(c1)C[*:1]
CCC(CC)(NC(=O)NC[C@H]1CCOC1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)NC[C@H]1CCOC1)[*:1]
CCC(CC)(NC(=O)NC[C@H]1CCOC1)C(=O)[O-] C1C[C@@H](CO1)[*:1] CCC(CC)(NC(=O)NC[*:1])C(=O)[O-]
CCC(CC)(NC(=O)NC[C@H]1CCOC1)C(=O)[O-] C1C[C@@H](CO1)C[*:1] CCC(CC)(NC(=O)N[*:1])C(=O)[O-]
NC(=O)N[C@@H](CC(=O)Nc1cccc(-n2ccnc2)c1)c1cccs1 c1csc(c1)[*:1] NC(=O)N[C@@H](CC(=O)Nc1cccc(c1)-n1ccnc1)[*:1]
NC(=O)N[C@@H](CC(=O)Nc1cccc(-n2ccnc2)c1)c1cccs1 c1cn(cn1)[*:1] NC(=O)N[C@@H](CC(=O)Nc1cccc(c1)[*:1])c1cccs1
NC(=O)N[C@@H](CC(=O)Nc1cccc(-n2ccnc2)c1)c1cccs1 NC(=O)N[*:1] O=C(C[C@@H](c1cccs1)[*:1])Nc1cccc(c1)-n1ccnc1
Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cccc(F)c2)n1 c1cc(ccn1)[*:1] Cn1cc(c(n1)[C@H]1CCCCN1C(=O)c1cccc(F)c1)[*:1]
Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] Cn1cc(-c2ccncc2)c(n1)[C@H]1CCCCN1C(=O)[*:1]
CCN(Cc1ccccc1)C(=O)CNC(=O)[C@H](C)[NH+]1CCCCCC1 c1ccc(cc1)C[*:1] CCN(C(=O)CNC(=O)[C@H](C)[NH+]1CCCCCC1)[*:1]
CCN(Cc1ccccc1)C(=O)CNC(=O)[C@H](C)[NH+]1CCCCCC1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CNC(=O)[C@H](C)[NH+]1CCCCCC1
CCCOc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1OC Fc1ccc(cc1F)[*:1] CCCOc1ccc(/C=C/C(=O)N[*:1])cc1OC
CCCOc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1OC CCCO[*:1] COc1cc(/C=C/C(=O)Nc2ccc(F)c(F)c2)ccc1[*:1]
CCCOc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1OC CCC[*:1] COc1cc(/C=C/C(=O)Nc2ccc(F)c(F)c2)ccc1O[*:1]
Cc1cc(C)c(NC(=O)C[NH+](Cc2ccccc2F)C2CC2)c(C)c1 Fc1ccccc1C[*:1] Cc1cc(C)c(NC(=O)C[NH+](C2CC2)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C[NH+](Cc2ccccc2F)C2CC2)c(C)c1 Fc1ccccc1[*:1] Cc1cc(C)c(NC(=O)C[NH+](C[*:1])C2CC2)c(C)c1
Cc1ccc(NC(=O)C[NH+](C)Cc2cc(Cl)cc3c2OCOC3)cc1 Cc1ccc(cc1)[*:1] C[NH+](CC(=O)N[*:1])Cc1cc(Cl)cc2COCOc21
COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O c1ccc(cc1)[*:1] COc1cc(cc(Br)c1O)[C@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)[*:1]
CC(=O)N1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 C1CC1[*:1] CC(=O)N1CCN(CC1)C(=O)CC[NH2+][C@@H]1CCC[C@@H](C1)[*:1]
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)/C(=C/c2ccco2)C1=O COC(=O)[*:1] CC1=C(C(=O)/C(=C\c2ccco2)N1c1ccc(Cl)cc1)[*:1]
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)/C(=C/c2ccco2)C1=O Clc1ccc(cc1)[*:1] COC(=O)C1C(=O)/C(=C\c2ccco2)N(C=1C)[*:1]
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)/C(=C/c2ccco2)C1=O c1coc(c1)[*:1] COC(=O)C1C(=O)C(=C[*:1])N(C=1C)c1ccc(Cl)cc1
Cc1ccc[n+](C[C@H](Br)C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc[n+](c1)C[C@H](Br)[*:1]
CC(=O)Nc1ccc(Sc2ccccc2Cl)cc1 CC(=O)N[*:1] Clc1ccccc1Sc1ccc(cc1)[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)c1 COc1ccc(OC)c(c1)[*:1] C[C@@H](Oc1ccc(cc1)-n1cnnn1)C(=O)N1CCC[C@H]1[*:1]
COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(-n3cnnn3)cc2)c1 c1nnnn1[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(cc1)[*:1]
CCCc1nc(N[C@H](C)Cn2cncn2)c2cnn(C)c2n1 c1ncn(n1)[*:1] CCCc1nc(N[C@H](C)C[*:1])c2cnn(C)c2n1
CCCc1nc(N[C@H](C)Cn2cncn2)c2cnn(C)c2n1 CCC[*:1] C[C@H](Cn1cncn1)Nc1nc(nc2c1cnn2C)[*:1]
CCCc1nc(N[C@H](C)Cn2cncn2)c2cnn(C)c2n1 c1ncn(C[*:1])n1 CCCc1nc(N[C@H](C)[*:1])c2cnn(C)c2n1
c1cc(OCCn2cc[nH+]c2)cc(-n2ccnc2)c1 c1cn(cn1)[*:1] c1cc(cc(c1)[*:1])OCCn1cc[nH+]c1
CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N(C)c2cccc(Cl)c2)c1=O Clc1cccc(c1)[*:1] CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N(C)[*:1])c1=O
C[C@@H](CO)CS(=O)(=O)[C@@H](C)C(=O)NCC(F)(F)F C[C@@H](CO)[*:1] C[C@@H](C(=O)NCC(F)(F)F)S(=O)(=O)C[*:1]
C[C@@H](CO)CS(=O)(=O)[C@@H](C)C(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@@H](CO)CS(=O)(=O)[C@@H](C)C(=O)NC[*:1]
C[C@@H](CO)CS(=O)(=O)[C@@H](C)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@@H](CO)CS(=O)(=O)[C@@H](C)C(=O)N[*:1]
C[C@@H](CO)CS(=O)(=O)[C@@H](C)C(=O)NCC(F)(F)F C[C@@H](CO)C[*:1] C[C@@H](C(=O)NCC(F)(F)F)S(=O)(=O)[*:1]
CC(C)[C@@H]([NH2+]Cc1cccc(-c2nc[nH]n2)c1)C1CC1 C1CC1[*:1] CC(C)[C@@H]([NH2+]Cc1cccc(c1)-c1nc[nH]n1)[*:1]
CC(C)[C@@H]([NH2+]Cc1cccc(-c2nc[nH]n2)c1)C1CC1 c1nc(n[nH]1)[*:1] CC(C)[C@@H]([NH2+]Cc1cccc(c1)[*:1])C1CC1
CC(C)[C@@H]([NH2+]Cc1cccc(-c2nc[nH]n2)c1)C1CC1 CC(C)[*:1] c1cc(cc(c1)-c1nc[nH]n1)C[NH2+][C@@H](C1CC1)[*:1]
Cc1ncccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] Cc1ncccc1[N-]S(=O)(=O)c1cc(ccc1Cl)[*:1]
Cc1ncccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl Cc1ncccc1[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)S(=O)(=O)[N-][*:1]
CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(OC)c(OC)cc1C c1cc(ccn1)[*:1] CC[C@H](N(CC)C(=O)c1cc(OC)c(cc1C)OC)[*:1]
CN(C(=O)/C=C/c1cccnc1)[C@H](c1ccccc1)c1ccccn1 c1cncc(c1)[*:1] CN(C(=O)C=C[*:1])[C@H](c1ccccc1)c1ccccn1
CN(C(=O)/C=C/c1cccnc1)[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] CN(C(=O)/C=C/c1cccnc1)[C@H](c1ccccn1)[*:1]
CN(C(=O)/C=C/c1cccnc1)[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] CN(C(=O)/C=C/c1cccnc1)[C@H](c1ccccc1)[*:1]
CN(C(=O)/C=C/c1cccnc1)[C@H](c1ccccc1)c1ccccn1 C(=C[*:1])c1cccnc1 CN(C(=O)[*:1])[C@H](c1ccccc1)c1ccccn1
Cc1cc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)n2nc(C(F)(F)F)nc2n1 FC(F)(F)[*:1] Cc1cc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)n2nc(nc2n1)[*:1]
CC(C)COC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 CC(C)CO[*:1] O=c1ccc(cn1CC[NH+]1CCC(CC1)[*:1])[N+](=O)[O-]
CC(C)COC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 O=[N+]([O-])[*:1] CC(C)COC1CC[NH+](CC1)CCn1cc(ccc1=O)[*:1]
CC(C)COC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 CC(C)[*:1] O=c1ccc(cn1CC[NH+]1CCC(CC1)OC[*:1])[N+](=O)[O-]
CC(C)COC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 CC(C)C[*:1] O=c1ccc(cn1CC[NH+]1CCC(CC1)O[*:1])[N+](=O)[O-]
O=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)c2ccon2)C1 FC(F)(F)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1ccon1
O=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)c2ccon2)C1 FC(F)(F)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccon1
O=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)c2ccon2)C1 c1cc(no1)[*:1] O=C(NCC(F)(F)F)[C@H]1CCCN(C1)C(=O)[*:1]
CCc1nc([C@H](C)NC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cs1 CN(C)C(=O)[*:1] CCc1nc(cs1)[C@H](C)NC(=O)Nc1ccc(C)c(c1)[*:1]
CCc1nc([C@H](C)NC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cs1 CCc1nc(cs1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)N[C@@H](C)[*:1]
Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCCc3ccccc3F)n2)c(C)o1 Fc1ccccc1[*:1] Cc1cc(-c2cc(N)c(=O)n(n2)[C@H](C)C(=O)NCC[*:1])c(C)o1
Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCCc3ccccc3F)n2)c(C)o1 Fc1ccccc1CC[*:1] Cc1cc(-c2cc(N)c(=O)n(n2)[C@H](C)C(=O)N[*:1])c(C)o1
Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCCc3ccccc3F)n2)c(C)o1 Fc1ccccc1C[*:1] Cc1cc(-c2cc(N)c(=O)n(n2)[C@H](C)C(=O)NC[*:1])c(C)o1
Cc1cc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCCc3ccccc3F)n2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H](C(=O)NCCc1ccccc1F)n1nc(cc(N)c1=O)[*:1]
CC1=C(C(=O)N(C)C)[C@@H](c2cnc(-c3ccccc3)s2)NC(=S)N1 CN(C)C(=O)[*:1] CC1NC(=S)N[C@@H](C=1[*:1])c1cnc(s1)-c1ccccc1
CC1=C(C(=O)N(C)C)[C@@H](c2cnc(-c3ccccc3)s2)NC(=S)N1 c1ccc(cc1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N(C)C)c1cnc(s1)[*:1]
O=C(Nc1ccccc1F)N(CCO)[C@H]1CCc2ccccc21 OCC[*:1] O=C(Nc1ccccc1F)N([C@H]1CCc2ccccc21)[*:1]
O=C(Nc1ccccc1F)N(CCO)[C@H]1CCc2ccccc21 Fc1ccccc1[*:1] O=C(N[*:1])N(CCO)[C@H]1CCc2ccccc21
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O C#CC[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)[*:1])cc(Cl)c1OCc1ccccc1F
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O Fc1ccccc1C[*:1] C#CCN1C(=O)S/C(=C/c2cc(Cl)c(O[*:1])c(c2)OC)C1=O
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O Fc1ccccc1[*:1] C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OC[*:1])c(c2)OC)C1=O
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O Fc1ccccc1CO[*:1] C#CCN1C(=O)S/C(=C/c2cc(Cl)c(c(c2)OC)[*:1])C1=O
CCc1nc(N2CCN(C(C)=O)CC2)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 CC(=O)N1CCN(CC1)[*:1] CCc1nc(c2c3CC[C@H](Cc3sc2n1)C(C)(C)C)[*:1]
CCc1nc(N2CCN(C(C)=O)CC2)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 CC(C)(C)[*:1] CCc1nc(c2c3CC[C@@H](Cc3sc2n1)[*:1])N1CCN(CC1)C(C)=O
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@@H](CO)c2ccco2)c1 c1coc(c1)[*:1] CN(CC(C)(C)C)C(=O)c1cccc(c1)C(=O)N[C@@H](CO)[*:1]
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@@H](CO)c2ccco2)c1 CC(C)(C)[*:1] CN(C[*:1])C(=O)c1cccc(c1)C(=O)N[C@@H](CO)c1ccco1
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@@H](CO)c2ccco2)c1 CC(C)(C)C[*:1] CN(C(=O)c1cccc(c1)C(=O)N[C@@H](CO)c1ccco1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] C[C@@H](C1CC1)N(C)C(=O)NCc1ccnc(c1)O[*:1]
C[C@@H](C1CC1)N(C)C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] C[C@@H](C1CC1)N(C)C(=O)NCc1ccnc(c1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)NCc1ccnc(OC2CCC2)c1 C1CC1[*:1] C[C@@H](N(C)C(=O)NCc1ccnc(c1)OC1CCC1)[*:1]
O=S(=O)(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(N/N=C/c1ccc(cc1)-c1ccccc1)[*:1]
O=S(=O)(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(N/N=C/c1ccc(cc1)[*:1])c1ccccc1
CC(C)n1ncc2cc(CN(C)[C@H]3CCCc4c3cnn4C)c(Cl)nc21 CC(C)[*:1] CN(Cc1cc2cnn(c2nc1Cl)[*:1])[C@H]1CCCc2c1cnn2C
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCO[C@H](Cn2cccn2)C1 c1cnn(c1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)CN1CCO[C@@H](C1)C[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCO[C@H](Cn2cccn2)C1 c1cnn(c1)C[*:1] C[C@@H]1Cc2ccccc2N1C(=O)CN1CCO[C@H](C1)[*:1]
C[NH2+][C@@H](C)c1cccn1CCC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[NH2+][C@@H](C)c1cccn1CCC[*:1]
Cc1cc(Br)cnc1N(CCO)C1CC1 C1CC1[*:1] Cc1cc(Br)cnc1N(CCO)[*:1]
Cc1cc(Br)cnc1N(CCO)C1CC1 OCC[*:1] Cc1cc(Br)cnc1N(C1CC1)[*:1]
O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)N[C@H]1CC=CCC1 C1CCCN(CC1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])N[C@H]1CC=CCC1
CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2C)C(C)C)c(C)o1 CC(C)[*:1] CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2C)[*:1])c(C)o1
CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2C)C(C)C)c(C)o1 Cc1ccccc1[*:1] CNS(=O)(=O)c1cc(C(=O)N[C@@H](C(C)C)[*:1])c(C)o1
CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2C)C(C)C)c(C)o1 CNS(=O)(=O)[*:1] Cc1ccccc1[C@H](NC(=O)c1cc(oc1C)[*:1])C(C)C
COc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)C(=O)NNC(=O)N[*:1]
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2[nH]c3ccccc3c2Br)cc1 CCOc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1[nH]c2ccccc2c1Br
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2[nH]c3ccccc3c2Br)cc1 CCO[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)NNC(=O)c1[nH]c2ccccc2c1Br
c1ccc(CCNc2nn3nnnc3c3ccccc23)cc1 c1ccc(cc1)C[*:1] c1ccc2c(c1)c(nn1nnnc21)NC[*:1]
c1ccc(CCNc2nn3nnnc3c3ccccc23)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)c(nn1nnnc21)NCC[*:1]
Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CC[NH+](C)CC1 Cc1ccc(cc1[*:1])C(=O)[O-] C[NH+]1CCN(CC1)[C@@H](CNC(=O)C(=O)N[*:1])c1ccccc1
Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CC[NH+](C)CC1 O=C([O-])[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[*:1]
Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CC[NH+](C)CC1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@@H](N1CC[NH+](C)CC1)[*:1])C(=O)[O-]
CSc1nccn1-c1ccc(C(=O)NCC2([O-])CCC2)cc1 CSc1nccn1[*:1] O=C(NCC1([O-])CCC1)c1ccc(cc1)[*:1]
COC(=O)[C@@]1(Nc2ccccc2Br)CCCC1(C)C COC(=O)[*:1] CC1(C)CCC[C@@]1(Nc1ccccc1Br)[*:1]
C[C@@H](Cc1cccs1)NC(=O)CSc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1cccs1)NC(=O)CS[*:1]
C[C@@H](Cc1cccs1)NC(=O)CSc1ccccc1 c1csc(c1)C[*:1] C[C@@H](NC(=O)CSc1ccccc1)[*:1]
C[C@@H](Cc1cccs1)NC(=O)CSc1ccccc1 c1csc(c1)[*:1] C[C@@H](C[*:1])NC(=O)CSc1ccccc1
N#CCOc1cccc(NC(=O)c2ccc(C[NH3+])o2)c1 N#CC[*:1] [NH3+]Cc1ccc(o1)C(=O)Nc1cccc(c1)O[*:1]
N#CCOc1cccc(NC(=O)c2ccc(C[NH3+])o2)c1 N#CCO[*:1] [NH3+]Cc1ccc(o1)C(=O)Nc1cccc(c1)[*:1]
CC(C)C(NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C O=[N+]([O-])[*:1] CC(C)C(NC(=O)c1ccc(cc1)[*:1])C(C)C
CC(C)C(NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C CC(C)[*:1] CC(C)C(NC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2nccnc21
COc1ccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1 Cc1ccc(cc1C)NC(=O)[*:1] COc1ccc(cc1)Cn1c(=O)c2nccnc2n(C[*:1])c1=O
COc1ccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)Cn1c(=O)c2nccnc2n(CC(=O)N[*:1])c1=O
COc1ccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1C)NC(=O)Cn1c(=O)n(c(=O)c2nccnc21)[*:1]
COc1ccc([C@H]2CCN(C(=O)c3cn(C)nc3C(C)(C)C)C2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@H]1CCN(C1)C(=O)c1cn(C)nc1[*:1]
COc1ccc([C@H]2CCN(C(=O)c3cn(C)nc3C(C)(C)C)C2)cc1 COc1ccc(cc1)[*:1] Cn1cc(C(=O)N2CC[C@@H](C2)[*:1])c(n1)C(C)(C)C
CC1(NC(=O)CCc2nc(-c3ccccn3)no2)Cc2ccccc2C1 c1ccc(nc1)[*:1] CC1(Cc2ccccc2C1)NC(=O)CCc1nc(no1)[*:1]
N#Cc1ccc(N2CCC(NC(=O)C3=NO[C@@H](c4ccccc4)C3)CC2)nc1 c1ccc(cc1)[*:1] N#Cc1ccc(nc1)N1CCC(CC1)NC(=O)C1C[C@H](ON=1)[*:1]
N#Cc1ccc(N2CCC(NC(=O)C3=NO[C@@H](c4ccccc4)C3)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(NC1CCN(CC1)[*:1])C1C[C@@H](ON=1)c1ccccc1
CCc1cnc(NC(=O)Cn2c(=O)n(CC)c3ccccc32)s1 CCc1cnc(s1)[*:1] CCn1c(=O)n(CC(=O)N[*:1])c2ccccc21
O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(CCc1nc(no1)-c1cccnc1)Nc1ccc(cc1)[*:1]
O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 c1cncc(c1)[*:1] O=C(CCc1nc(no1)[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
C[C@H](CNC(=O)c1cn(C)nc1C(F)(F)F)C[NH+]1CCCCC1 FC(F)(F)[*:1] C[C@H](CNC(=O)c1cn(C)nc1[*:1])C[NH+]1CCCCC1
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C=C(c3ccc(Br)cc3)N=N2)C1 CCOC(=O)[*:1] O=C([C@H]1C=C(N=N1)c1ccc(Br)cc1)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C=C(c3ccc(Br)cc3)N=N2)C1 Brc1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]1C=C(N=N1)[*:1]
O=C(NCc1ccccc1COCc1ccccc1)c1cc2ccoc2cn1 c1cc2cc(ncc2o1)[*:1] O=C(NCc1ccccc1COCc1ccccc1)[*:1]
O=C(NCc1ccccc1COCc1ccccc1)c1cc2ccoc2cn1 c1ccc(cc1)CO[*:1] O=C(NCc1ccccc1C[*:1])c1cc2ccoc2cn1
O=C(NCc1ccccc1COCc1ccccc1)c1cc2ccoc2cn1 c1ccc(cc1)[*:1] O=C(NCc1ccccc1COC[*:1])c1cc2ccoc2cn1
O=C(NCc1ccccc1COCc1ccccc1)c1cc2ccoc2cn1 c1ccc(cc1)C[*:1] O=C(NCc1ccccc1CO[*:1])c1cc2ccoc2cn1
O=C(NCc1ccccc1COCc1ccccc1)c1cc2ccoc2cn1 c1ccc(cc1)COC[*:1] O=C(NCc1ccccc1[*:1])c1cc2ccoc2cn1
CCCOc1ccccc1[C@@H]1CC(=O)NC2=NC(SCc3ccc(Cl)cc3)=NC(=O)[C@@H]21 CCCO[*:1] O=C1C[C@@H](c2ccccc2[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1ccc(Cl)cc1
CCCOc1ccccc1[C@@H]1CC(=O)NC2=NC(SCc3ccc(Cl)cc3)=NC(=O)[C@@H]21 CCCOc1ccccc1[*:1] O=C1C[C@H]([C@H]2C(=O)N=C(N=C2N1)SCc1ccc(Cl)cc1)[*:1]
CCCOc1ccccc1[C@@H]1CC(=O)NC2=NC(SCc3ccc(Cl)cc3)=NC(=O)[C@@H]21 CCC[*:1] O=C1C[C@@H](c2ccccc2O[*:1])[C@H]2C(=O)N=C(N=C2N1)SCc1ccc(Cl)cc1
CCCOc1ccccc1[C@@H]1CC(=O)NC2=NC(SCc3ccc(Cl)cc3)=NC(=O)[C@@H]21 Clc1ccc(cc1)C[*:1] CCCOc1ccccc1[C@@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)S[*:1]
CCCOc1ccccc1[C@@H]1CC(=O)NC2=NC(SCc3ccc(Cl)cc3)=NC(=O)[C@@H]21 Clc1ccc(cc1)[*:1] CCCOc1ccccc1[C@@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)SC[*:1]
COc1cccc(CNC(=O)[C@@H]2CCCN(c3nc(C)nc4onc(C)c34)C2)c1 COc1cccc(c1)[*:1] Cc1nc(c2c(C)noc2n1)N1CCC[C@H](C1)C(=O)NC[*:1]
COc1cccc(CNC(=O)[C@@H]2CCCN(c3nc(C)nc4onc(C)c34)C2)c1 COc1cccc(c1)C[*:1] Cc1nc(c2c(C)noc2n1)N1CCC[C@H](C1)C(=O)N[*:1]
CCOC(=O)C[C@@H](C)NC(=O)Cc1ccc(C)c(O)c1 CCOC(=O)[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](C)C[*:1]
CCOC(=O)C[C@@H](C)NC(=O)Cc1ccc(C)c(O)c1 CCOC(=O)C[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](C)[*:1]
O=C(CCN1C(=O)COc2ccccc21)NCCc1ccccn1 c1ccc(C[*:1])nc1 O=C(CCN1C(=O)COc2ccccc21)NC[*:1]
O=C(CCN1C(=O)COc2ccccc21)NCCc1ccccn1 c1ccc(CC[*:1])nc1 O=C(CCN1C(=O)COc2ccccc21)N[*:1]
O=C(CCN1C(=O)COc2ccccc21)NCCc1ccccn1 c1ccc(nc1)[*:1] O=C(CCN1C(=O)COc2ccccc21)NCC[*:1]
O=S(=O)(NCC1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCCO2 c1cnc(cn1)[*:1] O=S(=O)(NCC1CCN(CC1)[*:1])c1ccc2OCCOc2c1
COc1ccc(CN(C(=O)c2ccnnc2)[C@H]2CCCC[C@H]2C)cc1OC c1cc(cnn1)[*:1] COc1ccc(cc1OC)CN(C(=O)[*:1])[C@H]1CCCC[C@H]1C
CCO[C@@H](C)c1nc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cs1 CCO[C@@H](C)[*:1] O=C(c1csc(n1)[*:1])N1CCC[C@H](C1)c1ccn[nH]1
CCO[C@@H](C)c1nc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cs1 CCO[*:1] C[C@@H](c1nc(cs1)C(=O)N1CCC[C@H](C1)c1ccn[nH]1)[*:1]
CCO[C@@H](C)c1nc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cs1 c1cc([nH]n1)[*:1] CCO[C@@H](C)c1nc(cs1)C(=O)N1CCC[C@@H](C1)[*:1]
C[C@](O)(CNc1ncnc2sccc12)c1ccco1 c1coc(c1)[*:1] C[C@](O)(CNc1ncnc2sccc12)[*:1]
CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)s2)cc1 CCO[*:1] Cc1ccc(C[NH2+][C@H](C)c2ccc(cc2)[*:1])s1
CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)s2)cc1 Cc1ccc(s1)[*:1] CCOc1ccc(cc1)[C@@H](C)[NH2+]C[*:1]
Cc1occc1C(=O)NCC(=O)NCC1(c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] Cc1occc1C(=O)NCC(=O)NCC1(CC1)[*:1]
Cc1occc1C(=O)NCC(=O)NCC1(c2ccc(F)cc2F)CC1 Cc1occc1[*:1] O=C(CNC(=O)[*:1])NCC1(CC1)c1ccc(F)cc1F
CCN(Cc1ccccn1)C(=O)c1sccc1C#N c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1sccc1C#N
O=C([O-])CCn1cncc(-c2nc(-c3ccccc3)no2)c1=O O=C([O-])C[*:1] O=c1c(cncn1C[*:1])-c1nc(no1)-c1ccccc1
O=C([O-])CCn1cncc(-c2nc(-c3ccccc3)no2)c1=O O=C([O-])[*:1] O=c1c(cncn1CC[*:1])-c1nc(no1)-c1ccccc1
O=C([O-])CCn1cncc(-c2nc(-c3ccccc3)no2)c1=O O=C([O-])CC[*:1] O=c1c(cncn1[*:1])-c1nc(no1)-c1ccccc1
O=C([O-])CCn1cncc(-c2nc(-c3ccccc3)no2)c1=O c1ccc(cc1)[*:1] O=C([O-])CCn1cncc(-c2nc(no2)[*:1])c1=O
CC[C@@H](C)N(C)S(=O)(=O)CC[NH3+] CC[C@@H](C)[*:1] CN(S(=O)(=O)CC[NH3+])[*:1]
CC(C)(C)c1csc(CC(=O)CSc2ccccc2F)n1 Fc1ccccc1[*:1] CC(C)(C)c1csc(CC(=O)CS[*:1])n1
CC(C)(C)c1csc(CC(=O)CSc2ccccc2F)n1 CC(C)(C)[*:1] O=C(CSc1ccccc1F)Cc1nc(cs1)[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)CSCC(F)(F)F)C[C@@H](C)O1 FC(F)(F)CS[*:1] C[C@H]1CN(C[C@@H](C)O1)C(C)(C)CNC(=O)C[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)CSCC(F)(F)F)C[C@@H](C)O1 FC(F)(F)CSC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(C)(C)CNC(=O)[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)CSCC(F)(F)F)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(C)(C)CNC(=O)CSC[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)CSCC(F)(F)F)C[C@@H](C)O1 FC(F)(F)C[*:1] C[C@H]1CN(C[C@@H](C)O1)C(C)(C)CNC(=O)CS[*:1]
Cc1cc(C)c2cc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)[nH]c2c1 O=C(NCc1ccccn1)[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)c2cc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)[nH]c2c1 c1ccc(nc1)[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)Nc1cccc(c1)C(=O)NC[*:1]
Cc1cc(C)c2cc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)[nH]c2c1 c1ccc(C[*:1])nc1 Cc1cc(C)c2cc([nH]c2c1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1ccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n(C)c2c1C CN(C)S(=O)(=O)[*:1] Cc1ccc2s/c(=N/C(=O)c3ccc(cc3)[*:1])n(C)c2c1C
C[NH2+]C1CCC(N(C)c2ncnc(OC)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[NH2+]C1CCC(CC1)N(C)c1ncnc(OC)c1[*:1]
C[C@H]1CC(C(=O)NC2(c3ccc(Cl)cc3)CC2)C[C@H](C)O1 Clc1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NC1(CC1)[*:1]
CCC[C@@H]1CCC(=O)N(C[C@@H](CS)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC[C@@H]1CCC(=O)N(CC1)C[C@@H](CS)[*:1]
CCC[C@@H]1CCC(=O)N(C[C@@H](CS)c2ccccc2)CC1 CCC[*:1] O=C1CC[C@H](CCN1C[C@@H](CS)c1ccccc1)[*:1]
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(NCc1ccc(s1)S(=O)(=O)N1CCCCC1)c1ccc(cc1Cl)[*:1]
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc([N+](=O)[O-])cc1Cl O=S(=O)(N1CCCCC1)[*:1] O=C(NCc1ccc(s1)[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
O=C(Nc1ccccc1F)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1F)c1ccc(=O)n(c1)Cc1cccc(c1)[*:1]
O=C(Nc1ccccc1F)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 Fc1ccccc1[*:1] O=C(N[*:1])c1ccc(=O)n(c1)Cc1cccc(c1)[N+](=O)[O-]
O=C(Nc1ccccc1F)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1ccccc1F)c1ccc(=O)n(c1)C[*:1]
O=C(c1nnc(-c2cc(S(=O)(=O)NCc3cccs3)c[nH]2)o1)N1CCCC1 c1csc(c1)[*:1] O=C(c1nnc(o1)-c1cc(c[nH]1)S(=O)(=O)NC[*:1])N1CCCC1
O=C(c1nnc(-c2cc(S(=O)(=O)NCc3cccs3)c[nH]2)o1)N1CCCC1 c1csc(c1)C[*:1] O=C(c1nnc(o1)-c1cc(c[nH]1)S(=O)(=O)N[*:1])N1CCCC1
O=C(c1nnc(-c2cc(S(=O)(=O)NCc3cccs3)c[nH]2)o1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(NCc1cccs1)c1c[nH]c(c1)-c1nnc(o1)[*:1]
CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)N[C@H](C)[*:1]
CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc1 CC(=O)N[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccc(F)cc1
CS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 CS(=O)(=O)[*:1] O=C(NCCC[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
CS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 CS(=O)(=O)CCC[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)C(=O)N[*:1]
CS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 CS(=O)(=O)CC[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
CS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 CS(=O)(=O)C[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(cc1)C(F)(F)F
CC(C)(C)OC(=O)N1CC[C@@H]([S@@](=O)c2cnc3ccccc3n2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H](C1)[S@@](=O)c1cnc2ccccc2n1
COCC[S@@](=O)CCCc1csc(C)n1 COCC[*:1] Cc1nc(cs1)CCC[S@](=O)[*:1]
COCC[S@@](=O)CCCc1csc(C)n1 COC[*:1] Cc1nc(cs1)CCC[S@](=O)C[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1oc2c(c1C)C(=O)CCC2 CNC(=O)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N(C)C[C@@H](C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1oc2c(c1C)C(=O)CCC2 CNC(=O)[C@H](C)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N(C)C[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1oc2c(c1C)C(=O)CCC2 CNC(=O)[C@H](C)C[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N(C)[*:1]
O=C(NCCC(F)(F)F)Nc1ccc(F)cc1Br FC(F)(F)CC[*:1] O=C(Nc1ccc(F)cc1Br)N[*:1]
O=C(NCCC(F)(F)F)Nc1ccc(F)cc1Br FC(F)(F)[*:1] O=C(NCC[*:1])Nc1ccc(F)cc1Br
O=C(NCCC(F)(F)F)Nc1ccc(F)cc1Br FC(F)(F)C[*:1] O=C(NC[*:1])Nc1ccc(F)cc1Br
O[C@@H](C[C@H]1CCCN1c1ncnc2ccc(F)cc12)c1ccco1 O[C@@H](C[*:1])c1ccco1 Fc1ccc2ncnc(c2c1)N1CCC[C@@H]1[*:1]
O[C@@H](C[C@H]1CCCN1c1ncnc2ccc(F)cc12)c1ccco1 c1coc(c1)[*:1] O[C@@H](C[C@H]1CCCN1c1ncnc2ccc(F)cc12)[*:1]
C[C@@H]([NH2+]C[C@@H]1CCO[C@@H]1C(C)(C)C)c1nc2ccccc2n1C CC(C)(C)[*:1] C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1[*:1])c1nc2ccccc2n1C
CC[C@H](C)c1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1 O=C1CCCN1[*:1] CC[C@H](C)c1ccc(cc1)NC(=O)CNc1ccccc1[*:1]
CC[C@H](C)c1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1 CC[C@H](C)[*:1] O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(cc1)[*:1]
CC1CCN(C(=O)[C@@H](C)S(=O)(=O)Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)[C@@H](C)S(=O)(=O)C[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2C)[C@H](C)C1 Cc1ccc(Cl)cc1[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@H]1C)S(=O)(=O)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2C)[C@H](C)C1 Cc1ccc(Cl)cc1[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N1CCN([C@H](C)C1)S(=O)(=O)[*:1]
CCC(C)(C)C(=O)N1CCN(C(=O)Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 CCC(C)(C)C(=O)N1CCN(CC1)C(=O)[*:1]
CCC(C)(C)C(=O)N1CCN(C(=O)Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CCC(C)(C)C(=O)N1CCN(CC1)C(=O)C[*:1]
CCC(C)(C)C(=O)N1CCN(C(=O)Cc2ccccn2)CC1 CCC(C)(C)[*:1] O=C(Cc1ccccn1)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(O[C@H](C)C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C
COc1ccc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)cc1OC O=C(O[*:1])C1CCCCC1 COc1ccc(/C=C2\Oc3cc(ccc3C2=O)[*:1])cc1OC
COc1ccc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)cc1OC C1CCC(CC1)[*:1] COc1ccc(/C=C2\Oc3cc(ccc3C2=O)OC(=O)[*:1])cc1OC
COc1ccc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)cc1OC COc1ccc(cc1OC)[*:1] O=C1C(=C[*:1])Oc2cc(ccc21)OC(=O)C1CCCCC1
CC[NH+]1CCN(c2ncnc(Oc3ccc(C(C)C)cc3)c2N)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)c1ncnc(Oc2ccc(cc2)[*:1])c1N
COc1ccccc1OCCC(=O)NC1(C)Cc2ccccc2C1 COc1ccccc1[*:1] CC1(Cc2ccccc2C1)NC(=O)CCO[*:1]
Cc1cc(OCC(=O)NCCc2ccccc2)ccc1Br c1ccc(cc1)C[*:1] Cc1cc(ccc1Br)OCC(=O)NC[*:1]
Cc1cc(OCC(=O)NCCc2ccccc2)ccc1Br c1ccc(cc1)[*:1] Cc1cc(ccc1Br)OCC(=O)NCC[*:1]
COc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1[*:1]
c1ccc(-c2cnc(C[NH2+]C[C@H]3CCCN3c3cccnn3)o2)cc1 c1ccc(cc1)[*:1] c1cnnc(c1)N1CCC[C@@H]1C[NH2+]Cc1ncc(o1)[*:1]
c1ccc(-c2cnc(C[NH2+]C[C@H]3CCCN3c3cccnn3)o2)cc1 c1cnnc(c1)[*:1] c1ccc(cc1)-c1cnc(C[NH2+]C[C@H]2CCCN2[*:1])o1
O=C(Cc1ccc[nH]1)N1CCS[C@@H]2CCCC[C@@H]21 c1c[nH]c(c1)[*:1] O=C(C[*:1])N1CCS[C@@H]2CCCC[C@@H]21
O=C(Cc1ccc[nH]1)N1CCS[C@@H]2CCCC[C@@H]21 c1c[nH]c(c1)C[*:1] O=C(N1CCS[C@@H]2CCCC[C@@H]21)[*:1]
O=C(COC(=O)c1ccc(O)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 Oc1ccc(cc1)[*:1] O=C(COC(=O)[*:1])Nc1ccc2OC3(CCCC3)Oc2c1
Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc3c(c2)OCCO3)c1C Cc1cccc(c1C)[*:1] CN(Cc1ccc2OCCOc2c1)C(=O)C(=O)N[*:1]
CC(C)n1ccc(Cn2cc(C(=O)[O-])cc2Br)n1 CC(C)[*:1] O=C([O-])c1cc(Br)n(c1)Cc1ccn(n1)[*:1]
CC(C)n1ccc(Cn2cc(C(=O)[O-])cc2Br)n1 O=C([O-])[*:1] CC(C)n1ccc(Cn2cc(cc2Br)[*:1])n1
C[C@H]([NH2+][C@H](C)C1CCOCC1)c1c(F)cccc1Cl C1CC(CCO1)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1c(F)cccc1Cl
C[C@H](Cc1cccs1)N(C)C(=O)NC[C@H]1CC=CCC1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)NC[C@H]1CC=CCC1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)NC[C@H]1CC=CCC1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)NC[C@H]1CC=CCC1
COC(=O)c1c(NC(=S)N2c3ccccc3C[C@H]2C)sc(C(=O)N(C)C)c1C CN(C)C(=O)[*:1] COC(=O)c1c(NC(=S)N2c3ccccc3C[C@H]2C)sc(c1C)[*:1]
COC(=O)c1c(NC(=S)N2c3ccccc3C[C@H]2C)sc(C(=O)N(C)C)c1C COC(=O)[*:1] Cc1c(sc(NC(=S)N2c3ccccc3C[C@H]2C)c1[*:1])C(=O)N(C)C
COc1ccc(C)cc1NC(=O)[C@H](NNC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 c1cc2OCCOc2cc1[*:1] COc1ccc(C)cc1NC(=O)[C@H](NNC(=O)[*:1])c1ccccc1
COc1ccc(C)cc1NC(=O)[C@H](NNC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 COc1ccc(C)cc1[*:1] O=C(NN[C@@H](C(=O)N[*:1])c1ccccc1)c1ccc2OCCOc2c1
COc1ccc(C)cc1NC(=O)[C@H](NNC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)[C@H](NNC(=O)c1ccc2OCCOc2c1)[*:1]
O=C(CSc1nnc(Cc2ccccc2)n1-n1cccc1)Nc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1nnc(n1-n1cccc1)[*:1])Nc1ccccc1
O=C(CSc1nnc(Cc2ccccc2)n1-n1cccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(Cc2ccccc2)n1-n1cccc1)N[*:1]
O=C(CSc1nnc(Cc2ccccc2)n1-n1cccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(C[*:1])n1-n1cccc1)Nc1ccccc1
O=C(CSc1nnc(Cc2ccccc2)n1-n1cccc1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] c1ccc(cc1)Cc1nnc(SC[*:1])n1-n1cccc1
O=C(c1cccc(Cl)c1Cl)N1CC[NH+](CCCO)CC1 OCC[*:1] O=C(c1cccc(Cl)c1Cl)N1CC[NH+](CC1)C[*:1]
O=C(c1cccc(Cl)c1Cl)N1CC[NH+](CCCO)CC1 OCCC[*:1] O=C(c1cccc(Cl)c1Cl)N1CC[NH+](CC1)[*:1]
Cc1cc(=O)c(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)ccc21 c1ccc(cc1)C[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)N(CCc1ccccc1)[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)ccc21 c1ccc(cc1)C[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)N(Cc1ccccc1)C[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)ccc21 c1ccc(cc1)[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)N(CC[*:1])Cc1ccccc1
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)ccc21 c1ccc(cc1)[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)N(CCc1ccccc1)C[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)ccc21 c1ccc(cc1)CC[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)N(Cc1ccccc1)[*:1]
Cn1cc[nH+]c1N1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 CC1(C)C(C1(C)C)[*:1] Cn1cc[nH+]c1N1CCN(CC1)C(=O)[*:1]
CNc1ncc(CN(C)C(=O)c2cnc(-c3ccncc3)nc2)cn1 CNc1ncc(cn1)[*:1] CN(C[*:1])C(=O)c1cnc(nc1)-c1ccncc1
CNc1ncc(CN(C)C(=O)c2cnc(-c3ccncc3)nc2)cn1 c1cc(ccn1)[*:1] CNc1ncc(cn1)CN(C)C(=O)c1cnc(nc1)[*:1]
O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cccc2ncccc12 C1CN(CCO1)C[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cccc2ncccc12
O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cccc2ncccc12 C1CN(CCO1)CC[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc2ncccc12
O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cccc2ncccc12 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1)CC[*:1])c1cccc2ncccc12
C[C@@H]1CCC[C@H]1NC(=O)c1csc(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] C[C@@H]1CCC[C@H]1NC(=O)c1csc(c1)[*:1]
C[C@@H]1CCC[C@H]1NC(=O)c1csc(/C=C/C(=O)[O-])c1 C[C@@H]1CCC[C@@H]1[*:1] O=C([O-])/C=C/c1cc(cs1)C(=O)N[*:1]
C[C@@H]1CCC[C@H]1NC(=O)c1csc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] C[C@@H]1CCC[C@H]1NC(=O)c1csc(C=C[*:1])c1
Cc1ccsc1CNC(=O)CSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] Cc1ccsc1CNC(=O)CSc1nnc(n1C1CC1)[*:1]
Cc1ccsc1CNC(=O)CSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] Cc1ccsc1CNC(=O)CSc1nnc(C2CC2)n1[*:1]
Cc1ccsc1CNC(=O)CSc1nnc(C2CC2)n1C1CC1 Cc1ccsc1[*:1] O=C(CSc1nnc(C2CC2)n1C1CC1)NC[*:1]
Cc1ccsc1CNC(=O)CSc1nnc(C2CC2)n1C1CC1 Cc1ccsc1C[*:1] O=C(CSc1nnc(C2CC2)n1C1CC1)N[*:1]
CN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 Clc1ccc(s1)[*:1] CN(C[*:1])C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
CN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(cc1)[*:1]
CN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 Clc1ccc(C[*:1])s1 CN(C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[*:1]
CCCCn1nc(C(=O)Nc2cc(OC)c(OC)cc2C)ccc1=O CCC[*:1] COc1cc(C)c(cc1OC)NC(=O)c1ccc(=O)n(C[*:1])n1
CCCCn1nc(C(=O)Nc2cc(OC)c(OC)cc2C)ccc1=O CCCC[*:1] COc1cc(C)c(cc1OC)NC(=O)c1ccc(=O)n(n1)[*:1]
COc1ccc(-c2c(NC(=O)c3cccs3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 O=C(N[*:1])c1cccs1 COc1ccc(cc1)-c1c(n(nc(C)c1=O)-c1ccc(C)cc1)[*:1]
COc1ccc(-c2c(NC(=O)c3cccs3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 c1csc(c1)[*:1] COc1ccc(cc1)-c1c(NC(=O)[*:1])n(nc(C)c1=O)-c1ccc(C)cc1
COc1ccc(-c2c(NC(=O)c3cccs3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1c(NC(=O)c2cccs2)n(nc(C)c1=O)[*:1]
COc1ccc(-c2c(NC(=O)c3cccs3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc(C)c(=O)c(c1NC(=O)c1cccs1)[*:1]
CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1c1cnn(C(C)C)c1 CC(C)[*:1] CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1c1cnn(c1)[*:1]
NC(=O)[C@H](N=O)Nc1ccc(Cl)cc1F NC(=O)[*:1] O=N[C@H](Nc1ccc(Cl)cc1F)[*:1]
CC[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 CC[C@@H](C)[*:1] [NH3+][C@@H](Cc1ccccc1)C(=O)N[*:1]
CC[NH2+][C@H](Cc1nc([C@]2(C)CCCO2)no1)C1CC1 C1CC1[*:1] CC[NH2+][C@H](Cc1nc(no1)[C@]1(C)CCCO1)[*:1]
CC[NH2+][C@H](Cc1nc([C@]2(C)CCCO2)no1)C1CC1 C[C@@]1(CCCO1)[*:1] CC[NH2+][C@H](Cc1nc(no1)[*:1])C1CC1
Cc1cc(S[C@@H]2CCC[C@@]([NH3+])(C(N)=O)C2)n(C)n1 NC(=O)[*:1] Cc1cc(S[C@@H]2CCC[C@@]([NH3+])(C2)[*:1])n(C)n1
CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc(C(=O)OC)c1 COC(=O)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)Nc1cccc(c1)[*:1]
COC(=O)CCCOc1c(F)cc(C=O)cc1F COC(=O)C[*:1] O=Cc1cc(F)c(OCC[*:1])c(F)c1
COC(=O)CCCOc1c(F)cc(C=O)cc1F COC(=O)[*:1] O=Cc1cc(F)c(OCCC[*:1])c(F)c1
COC(=O)CCCOc1c(F)cc(C=O)cc1F COC(=O)CC[*:1] O=Cc1cc(F)c(OC[*:1])c(F)c1
CC(=O)N1CCC(NC(=O)c2ccccc2C(=O)c2ccccc2)CC1 O=C(c1ccccc1)[*:1] CC(=O)N1CCC(CC1)NC(=O)c1ccccc1[*:1]
CC(=O)N1CCC(NC(=O)c2ccccc2C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)NC(=O)c1ccccc1C(=O)[*:1]
CC(C)(NCc1nc(-c2ccoc2)no1)c1nccs1 c1csc(n1)[*:1] CC(C)(NCc1nc(no1)-c1ccoc1)[*:1]
CC(C)(NCc1nc(-c2ccoc2)no1)c1nccs1 c1cc(co1)[*:1] CC(C)(NCc1nc(no1)[*:1])c1nccs1
CCOC(=O)C1(c2nc([C@H]3CCC[C@@H](CC)C3)no2)CC1 CCOC(=O)[*:1] CC[C@@H]1CCC[C@@H](C1)c1noc(n1)C1(CC1)[*:1]
Cc1ccccc1CNC(=O)c1ccncc1C#CC[NH3+] Cc1ccccc1[*:1] [NH3+]CC#Cc1cnccc1C(=O)NC[*:1]
COc1ccc(C2=C(O)C(=O)N(c3nnn[n-]3)[C@@H]2c2ccc(Br)cc2)cc1 COc1ccc(cc1)[*:1] O=C1C(O)=C([C@@H](c2ccc(Br)cc2)N1c1nnn[n-]1)[*:1]
COc1ccc(C2=C(O)C(=O)N(c3nnn[n-]3)[C@@H]2c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)C1=C(O)C(=O)N(c2nnn[n-]2)[C@H]1[*:1]
CC[C@@H](C)NNC(=O)CC[NH+]1CCCCC1 CC[C@@H](C)[*:1] O=C(CC[NH+]1CCCCC1)NN[*:1]
O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1cncc(OC2CCCC2)c1 C1CCC(C1)[*:1] O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1cncc(c1)O[*:1]
O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1cncc(OC2CCCC2)c1 C1CCC(C1)O[*:1] O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1cncc(c1)[*:1]
Cc1nn(-c2ccccc2)cc1CN1CCN(CC#N)CC1 N#CC[*:1] Cc1nn(cc1CN1CCN(CC1)[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)cc1CN1CCN(CC#N)CC1 c1ccc(cc1)[*:1] Cc1nn(cc1CN1CCN(CC#N)CC1)[*:1]
COc1ccc(-n2nc3c(N4CCC[C@@H](C(=O)NCc5ccccc5F)C4)nnc(C)c3c2C)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC[C@H](C1)C(=O)NC[*:1]
COc1ccc(-n2nc3c(N4CCC[C@@H](C(=O)NCc5ccccc5F)C4)nnc(C)c3c2C)cc1 O=C(NCc1ccccc1F)[*:1] COc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC[C@@H](C1)[*:1]
COc1ccc(-n2nc3c(N4CCC[C@@H](C(=O)NCc5ccccc5F)C4)nnc(C)c3c2C)cc1 COc1ccc(cc1)[*:1] Cc1nnc(c2nn(c(C)c12)[*:1])N1CCC[C@H](C1)C(=O)NCc1ccccc1F
COc1ccc(-n2nc3c(N4CCC[C@@H](C(=O)NCc5ccccc5F)C4)nnc(C)c3c2C)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC[C@H](C1)C(=O)N[*:1]
COCCN(CC(=O)N(C)C)Cc1c(C)nc2sc(C)cn12 CN(C)C(=O)C[*:1] COCCN(Cc1c(C)nc2sc(C)cn12)[*:1]
COCCN(CC(=O)N(C)C)Cc1c(C)nc2sc(C)cn12 CN(C)C(=O)[*:1] COCCN(Cc1c(C)nc2sc(C)cn12)C[*:1]
COCCN(CC(=O)N(C)C)Cc1c(C)nc2sc(C)cn12 COCC[*:1] Cc1cn2c(CN(CC(=O)N(C)C)[*:1])c(C)nc2s1
COCCN(CC(=O)N(C)C)Cc1c(C)nc2sc(C)cn12 COC[*:1] Cc1cn2c(CN(CC(=O)N(C)C)C[*:1])c(C)nc2s1
Cc1nnc(CN(C)C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)n1C Cc1nnc(C[*:1])n1C CC(C)C[C@H](NC(=O)N(C)[*:1])c1ccc(Cl)cc1
Cc1nnc(CN(C)C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)n1C Clc1ccc(cc1)[*:1] Cc1nnc(CN(C)C(=O)N[C@@H](CC(C)C)[*:1])n1C
Cc1nnc(CN(C)C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)n1C CC(C)[*:1] Cc1nnc(CN(C)C(=O)N[C@@H](C[*:1])c2ccc(Cl)cc2)n1C
Cc1nnc(CN(C)C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)n1C CC(C)C[*:1] Cc1nnc(CN(C)C(=O)N[C@@H](c2ccc(Cl)cc2)[*:1])n1C
Cc1nnc(CN(C)C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)n1C Cc1nnc(n1C)[*:1] CC(C)C[C@H](NC(=O)N(C)C[*:1])c1ccc(Cl)cc1
CCCn1ccc2ccc(NC(=O)[C@H](C)[NH+](C)C)cc21 CCC[*:1] C[C@@H](C(=O)Nc1ccc2ccn(c2c1)[*:1])[NH+](C)C
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)/C(C#N)=C\c1ccc(o1)[*:1]
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)cc1 CCO[*:1] N#C/C(=C/c1ccc(o1)-c1ccc(F)cc1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)cc1 CCOc1ccc(cc1)[*:1] N#C/C(=C/c1ccc(o1)-c1ccc(F)cc1)C(=O)N[*:1]
C/[NH+]=C(\NCc1cccc(CO)c1)NCc1ncc(C)s1 Cc1cnc(s1)[*:1] C/[NH+]=C(\NCc1cccc(c1)CO)NC[*:1]
C/[NH+]=C(\NCc1cccc(CO)c1)NCc1ncc(C)s1 Cc1cnc(C[*:1])s1 C/[NH+]=C(\NCc1cccc(c1)CO)N[*:1]
CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)C2=C(CC(C)(C)CC2=O)N1 CC(C)OC(=O)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1[*:1])c1ccco1
CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)C2=C(CC(C)(C)CC2=O)N1 CC(C)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)O[*:1])c1ccco1
CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)C2=C(CC(C)(C)CC2=O)N1 c1coc(c1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)OC(C)C)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)Nc1cc2c(cc1Cl)OCCCO2 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)Nc1cc2OCCCOc2cc1Cl)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)Nc1cc2c(cc1Cl)OCCCO2 C[C@H](c1ccccc1)[*:1] CN(C(=O)Nc1cc2OCCCOc2cc1Cl)[*:1]
Cc1ccc(-n2nc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)ccc2=O)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)-n1nc(ccc1=O)N1CCN(CC1)C(=O)N[*:1]
Cc1ccc(-n2nc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)ccc2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)N1CCN(CC1)c1ccc(=O)n(n1)[*:1]
CC(=O)c1ccc(OC(=O)c2ccccc2OC(F)F)cc1 FC(F)[*:1] CC(=O)c1ccc(cc1)OC(=O)c1ccccc1O[*:1]
CC(=O)c1ccc(OC(=O)c2ccccc2OC(F)F)cc1 FC(F)O[*:1] CC(=O)c1ccc(cc1)OC(=O)c1ccccc1[*:1]
CC(=O)c1ccc(OC(=O)c2ccccc2OC(F)F)cc1 CC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccccc1OC(F)F
CCC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 CCC(=O)N[*:1] O=S1(=O)Cc2ccccc2[C@@H](C1)[*:1]
C[C@H](NC(=O)CSc1nc([C@H]2CCCO2)n[nH]1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nc(n[nH]1)[C@H]1CCCO1)[*:1]
C[C@H](NC(=O)CSc1nc([C@H]2CCCO2)n[nH]1)c1ccc(F)cc1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)CSc1nc(n[nH]1)[*:1])c1ccc(F)cc1
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[*:1]
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccccn1 Cn1cc(cn1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)Nc1ccccn1
O=C([O-])CS[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 FC(F)(F)[*:1] O=C([O-])CS[C@H](C(=O)Nc1ccc(cc1)[*:1])c1ccccc1
O=C([O-])CS[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)[C@@H](SC[*:1])c1ccccc1
O=C([O-])CS[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CS[C@H](C(=O)Nc1ccc(cc1)C(F)(F)F)[*:1]
Nc1nc(-c2cccs2)cc(-c2ccccc2Cl)n1 c1csc(c1)[*:1] Nc1nc(cc(n1)[*:1])-c1ccccc1Cl
O=S(=O)(Nc1ccc(-c2nc[nH]n2)cc1)c1ccc(Cl)cc1 c1nc(n[nH]1)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
O=S(=O)(Nc1ccc(-c2nc[nH]n2)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)-c1nc[nH]n1)[*:1]
C[C@]1(c2cccc(OC(F)(F)F)c2)CCCCC[NH2+]1 FC(F)(F)[*:1] C[C@@]1(CCCCC[NH2+]1)c1cccc(c1)O[*:1]
C[C@]1(c2cccc(OC(F)(F)F)c2)CCCCC[NH2+]1 FC(F)(F)O[*:1] C[C@@]1(CCCCC[NH2+]1)c1cccc(c1)[*:1]
C[C@@H](O)[C@@](C[NH3+])(Cc1ccc(Cl)s1)c1ccccc1 C[C@@H](O)[*:1] [NH3+]C[C@@](Cc1ccc(Cl)s1)(c1ccccc1)[*:1]
C[C@@H](O)[C@@](C[NH3+])(Cc1ccc(Cl)s1)c1ccccc1 Clc1ccc(s1)[*:1] C[C@@H](O)[C@@](C[NH3+])(C[*:1])c1ccccc1
C[C@@H](O)[C@@](C[NH3+])(Cc1ccc(Cl)s1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](O)[C@@](C[NH3+])(Cc1ccc(Cl)s1)[*:1]
Cc1ncnc(OCCC(=O)[O-])c1C O=C([O-])C[*:1] Cc1ncnc(OC[*:1])c1C
Cc1ncnc(OCCC(=O)[O-])c1C O=C([O-])[*:1] Cc1ncnc(OCC[*:1])c1C
CCOC(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 c1ccc(cc1)C[*:1] CCOC(=O)N1CCC[C@@H](CCC(=O)N2CCN(CC2)[*:1])C1
CCOC(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 c1ccc(cc1)[*:1] CCOC(=O)N1CCC[C@@H](CCC(=O)N2CCN(CC2)C[*:1])C1
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1cc2nc([O-])[nH]c(=O)n2c1 C1CCC(C1)[*:1] O=C(N[C@@H](C(=O)N[*:1])c1ccccc1)c1cc2nc([O-])[nH]c(=O)n2c1
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1cc2nc([O-])[nH]c(=O)n2c1 O=C(NC1CCCC1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1cc2nc([O-])[nH]c(=O)n2c1
O=C(N[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1cc2nc([O-])[nH]c(=O)n2c1 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)NC1CCCC1)[*:1])c1cc2nc([O-])[nH]c(=O)n2c1
CC[C@@H](C)[C@H](C)N(C(=O)c1cnn(-c2ccncc2)c1C)C1CC1 CC[C@@H](C)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N(C1CC1)[C@@H](C)[*:1]
CC[C@@H](C)[C@H](C)N(C(=O)c1cnn(-c2ccncc2)c1C)C1CC1 c1cc(ccn1)[*:1] CC[C@@H](C)[C@H](C)N(C(=O)c1cnn(c1C)[*:1])C1CC1
CC[C@@H](C)[C@H](C)N(C(=O)c1cnn(-c2ccncc2)c1C)C1CC1 C1CC1[*:1] CC[C@@H](C)[C@H](C)N(C(=O)c1cnn(-c2ccncc2)c1C)[*:1]
Cn1nc2n(c1=O)CCN(c1nc(-c3ccncc3)nc3c1CCC3)C2 c1cc(ccn1)[*:1] Cn1nc2CN(CCn2c1=O)c1nc(nc2CCCc21)[*:1]
C=CCOc1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])C(=O)N(C)[C@H]1CCC[C@@H](C)C1
C=CCOc1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])C(=O)N(C)[C@H]1CCC[C@@H](C)C1
CCc1nn(C)cc1NC(=O)c1ccc(C(=O)OC)cc1 COC(=O)[*:1] CCc1nn(C)cc1NC(=O)c1ccc(cc1)[*:1]
CCN(c1ccc(C(=O)N(C)C)nn1)C1C[NH2+]C1 CN(C)C(=O)[*:1] CCN(c1ccc(nn1)[*:1])C1C[NH2+]C1
Cc1nnc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)s1 Cc1nnc(s1)[*:1] C[C@H]1CN(CC2CCN(CC2)[*:1])C[C@H](C)O1
C[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)N[*:1]
O=C(Cc1csc(N2CCCNC2=O)n1)Nc1cnc(-c2ccccc2)s1 O=C1NCCCN1[*:1] O=C(Cc1csc(n1)[*:1])Nc1cnc(s1)-c1ccccc1
O=C(Cc1csc(N2CCCNC2=O)n1)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)N1CCCNC1=O)Nc1cnc(s1)[*:1]
C[C@H](c1ccccc1Br)N(C)C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] C[C@H](c1ccccc1Br)N(C)C(=O)[*:1]
C[C@H](c1ccccc1Br)N(C)C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] C[C@H](c1ccccc1Br)N(C)C(=O)C[*:1]
Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)Nc1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)Nc1ccc(Cl)cc1)S[C@@H](C)[*:1]
Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)Nc1ccc(Cl)cc1 C[C@@H](c1ccccc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)Nc1ccc(Cl)cc1)S[*:1]
Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[*:1])S[C@@H](C)c1ccccc1
CSC[C@@H](C)C(=O)NNC(=O)c1ccccc1O CSC[*:1] C[C@@H](C(=O)NNC(=O)c1ccccc1O)[*:1]
COc1ccc(C(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(N1CCC2(CC1)Nc1ccccc1-n1cccc12)[*:1]
Cn1cc(C[NH+](C)Cc2ccccc2-c2ccccc2)c(=O)n(C)c1=O c1ccc(cc1)[*:1] Cn1cc(C[NH+](C)Cc2ccccc2[*:1])c(=O)n(C)c1=O
O=C(c1ccc(-n2cccc2)nc1)N(Cc1cccs1)C[C@H]1CCCO1 c1ccn(c1)[*:1] O=C(c1ccc(nc1)[*:1])N(Cc1cccs1)C[C@H]1CCCO1
O=C(c1ccc(-n2cccc2)nc1)N(Cc1cccs1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(c1ccc(nc1)-n1cccc1)N(Cc1cccs1)[*:1]
O=C(c1ccc(-n2cccc2)nc1)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)C[*:1] O=C(c1ccc(nc1)-n1cccc1)N(C[C@H]1CCCO1)[*:1]
O=C(c1ccc(-n2cccc2)nc1)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)[*:1] O=C(c1ccc(nc1)-n1cccc1)N(C[C@H]1CCCO1)C[*:1]
O=c1sc2ccccc2n1Cc1nc(CCc2ccccc2)no1 c1ccc(cc1)[*:1] O=c1sc2ccccc2n1Cc1nc(CC[*:1])no1
O=c1sc2ccccc2n1Cc1nc(CCc2ccccc2)no1 c1ccc(cc1)CC[*:1] O=c1sc2ccccc2n1Cc1nc(no1)[*:1]
O=c1sc2ccccc2n1Cc1nc(CCc2ccccc2)no1 c1ccc(cc1)C[*:1] O=c1sc2ccccc2n1Cc1nc(C[*:1])no1
CC(C)n1ncnc1C[C@@H](N)C(C)(C)[NH+](C)C CC(C)[*:1] C[NH+](C)C(C)(C)[C@H](N)Cc1ncnn1[*:1]
C[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2S1 FC(F)(F)[*:1] C[C@@H]1CN(C(=O)Nc2cccc(c2)[*:1])c2ccccc2S1
C=C(C)[C@@H]([NH2+]C)[C@@H]1CC[C@H](CC)C1 C=C(C)[*:1] CC[C@H]1CC[C@H](C1)[C@H]([NH2+]C)[*:1]
COc1cc([C@@H]2CC(=O)NC3=NC(SCc4ccc(Cl)cc4)=NC(=O)[C@@H]32)ccc1O Clc1ccc(cc1)C[*:1] COc1cc(ccc1O)[C@@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)S[*:1]
COc1cc([C@@H]2CC(=O)NC3=NC(SCc4ccc(Cl)cc4)=NC(=O)[C@@H]32)ccc1O Clc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@@H]1CC(=O)NC2=NC(=NC(=O)[C@@H]21)SC[*:1]
COc1cc([C@@H]2CC(=O)NC3=NC(SCc4ccc(Cl)cc4)=NC(=O)[C@@H]32)ccc1O COc1cc(ccc1O)[*:1] O=C1C[C@H]([C@H]2C(=O)N=C(N=C2N1)SCc1ccc(Cl)cc1)[*:1]
C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)[*:1]
C[C@@]1(C(=O)Nc2ccc(F)cc2C#CC[NH3+])CCCO1 C[C@]1(CCCO1)[*:1] [NH3+]CC#Cc1cc(F)ccc1NC(=O)[*:1]
CN(CCc1cn[nH]c1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2 c1n[nH]cc1[*:1] CN(CC[*:1])C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2
CN(CCc1cn[nH]c1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2 CC(C)(C)[*:1] CN(CCc1cn[nH]c1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@H]13)O2
CN(CCc1cn[nH]c1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2 c1n[nH]cc1C[*:1] CN(C[*:1])C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2
CN(CCc1cn[nH]c1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2 CC(C)(C)C[*:1] CN(CCc1cn[nH]c1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2
CN(CCc1cn[nH]c1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2 c1n[nH]cc1CC[*:1] CN(C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@H]13)O2)[*:1]
O=C(C1=Cc2cc(F)ccc2OC1)N1CCC(Cn2ccnn2)CC1 c1cn(nn1)[*:1] O=C(C1=Cc2cc(F)ccc2OC1)N1CCC(CC1)C[*:1]
O=C(C1=Cc2cc(F)ccc2OC1)N1CCC(Cn2ccnn2)CC1 c1cn(C[*:1])nn1 O=C(C1=Cc2cc(F)ccc2OC1)N1CCC(CC1)[*:1]
CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1c[nH]c2ccccc12 O=[N+]([O-])c1cccc(c1)[*:1] CCn1c(nnc1-c1c[nH]c2ccccc12)SC[*:1]
CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] CCn1c(nnc1[*:1])SCc1cccc(c1)[N+](=O)[O-]
CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1c[nH]c2ccccc12 O=[N+]([O-])[*:1] CCn1c(nnc1-c1c[nH]c2ccccc12)SCc1cccc(c1)[*:1]
COc1ccc(-n2ccnc2-c2nc3c(cnn3Cc3ccncc3)[nH]2)cc1 COc1ccc(cc1)[*:1] c1cc(ccn1)Cn1ncc2[nH]c(nc21)-c1nccn1[*:1]
COc1ccc(-n2ccnc2-c2nc3c(cnn3Cc3ccncc3)[nH]2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-n1ccnc1-c1nc2c(cnn2C[*:1])[nH]1
COc1ccc(-n2ccnc2-c2nc3c(cnn3Cc3ccncc3)[nH]2)cc1 c1cc(ccn1)C[*:1] COc1ccc(cc1)-n1ccnc1-c1nc2c(cnn2[*:1])[nH]1
O=C(CCCn1ccnn1)N1CC[C@@H](Oc2ccccc2Cl)C1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CC[C@H](C1)Oc1ccccc1Cl
O=C(CCCn1ccnn1)N1CC[C@@H](Oc2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(CCCn1ccnn1)N1CC[C@H](C1)O[*:1]
O=C(CCCn1ccnn1)N1CC[C@@H](Oc2ccccc2Cl)C1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CC[C@H](C1)Oc1ccccc1Cl
O=C(CCCn1ccnn1)N1CC[C@@H](Oc2ccccc2Cl)C1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CC[C@H](C1)Oc1ccccc1Cl
CCSCCN(C(=O)c1nc([O-])nc2ccccc12)C1CCCCC1 CCSCC[*:1] O=C(c1nc([O-])nc2ccccc12)N(C1CCCCC1)[*:1]
CCSCCN(C(=O)c1nc([O-])nc2ccccc12)C1CCCCC1 CCSC[*:1] O=C(c1nc([O-])nc2ccccc12)N(C[*:1])C1CCCCC1
CCSCCN(C(=O)c1nc([O-])nc2ccccc12)C1CCCCC1 CCS[*:1] O=C(c1nc([O-])nc2ccccc12)N(CC[*:1])C1CCCCC1
CCSCCN(C(=O)c1nc([O-])nc2ccccc12)C1CCCCC1 C1CCC(CC1)[*:1] CCSCCN(C(=O)c1nc([O-])nc2ccccc12)[*:1]
CC(=O)Nc1cc(C(=O)Nc2ccc(C(C)=O)c(C)c2)ccc1F CC(=O)N[*:1] CC(=O)c1ccc(cc1C)NC(=O)c1ccc(F)c(c1)[*:1]
CC(=O)Nc1cc(C(=O)Nc2ccc(C(C)=O)c(C)c2)ccc1F CC(=O)[*:1] CC(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c(C)c1)[*:1]
CCCCN(C)C(=O)C(=O)Nc1cccc(C(=O)NC)c1C CCCC[*:1] CNC(=O)c1cccc(NC(=O)C(=O)N(C)[*:1])c1C
CCCCN(C)C(=O)C(=O)Nc1cccc(C(=O)NC)c1C CCC[*:1] CNC(=O)c1cccc(NC(=O)C(=O)N(C)C[*:1])c1C
CCCCN(C)C(=O)C(=O)Nc1cccc(C(=O)NC)c1C CNC(=O)[*:1] CCCCN(C)C(=O)C(=O)Nc1cccc(c1C)[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccccc1OCC1CC1 C1CC1[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccccc1OC[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccccc1OCC1CC1 C1CC1CO[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccccc1[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccccc1OCC1CC1 C1CC1C[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccccc1O[*:1]
CCCc1cc(NC(=O)C(=O)NCC(=O)NC2CCCCC2)n(C)n1 C1CCC(CC1)[*:1] CCCc1cc(NC(=O)C(=O)NCC(=O)N[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)NCC(=O)NC2CCCCC2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)C(=O)NCC(=O)NC1CCCCC1)[*:1]
COc1cc(/C=N/Nc2cn[nH]c(=O)c2Cl)ccc1OCc1ccc(Cl)cc1 O=c1[nH]ncc(c1Cl)[*:1] COc1cc(/C=N/N[*:1])ccc1OCc1ccc(Cl)cc1
COc1cc(/C=N/Nc2cn[nH]c(=O)c2Cl)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)CO[*:1] COc1cc(/C=N/Nc2cn[nH]c(=O)c2Cl)ccc1[*:1]
COc1cc(/C=N/Nc2cn[nH]c(=O)c2Cl)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COc1cc(/C=N/Nc2cn[nH]c(=O)c2Cl)ccc1O[*:1]
COc1cc(/C=N/Nc2cn[nH]c(=O)c2Cl)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1cc(/C=N/Nc2cn[nH]c(=O)c2Cl)ccc1OC[*:1]
CC[C@@H](CNC(=O)c1cc2ccccc2oc1=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)c1cc2ccccc2oc1=O)[*:1]
NC(=O)N/N=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)o1 NC(=O)NN=C[*:1] O=C(CSc1ccc(o1)[*:1])Nc1ccc2ccccc2c1
Cc1nn(C)c(Oc2cccnc2)c1CN1C[C@H](C)OC[C@@H]1c1ccccc1 c1cncc(c1)O[*:1] Cc1nn(C)c(c1CN1C[C@H](C)OC[C@@H]1c1ccccc1)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1CN1C[C@H](C)OC[C@@H]1c1ccccc1 c1cncc(c1)[*:1] Cc1nn(C)c(O[*:1])c1CN1C[C@H](C)OC[C@@H]1c1ccccc1
Cc1nn(C)c(Oc2cccnc2)c1CN1C[C@H](C)OC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)c(Oc2cccnc2)c1CN1C[C@H](C)OC[C@H]1[*:1]
COc1ccc(C2=NN(C(=O)CCl)[C@H](c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)CCl)[*:1]
COc1ccc(C2=NN(C(=O)CCl)[C@H](c3ccc(C)cc3)C2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1CC(=NN1C(=O)CCl)[*:1]
COC(=O)[C@@]1(NC(=O)Cc2ccccc2F)CCOC1 COC(=O)[*:1] O=C(Cc1ccccc1F)N[C@]1(CCOC1)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)NCCN1C(=O)CCC1=O N#Cc1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)NCCN1C(=O)CCC1=O
CCCN(Cc1ccc(C#N)cc1)C(=O)NCCN1C(=O)CCC1=O O=C1CCC(=O)N1[*:1] CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)NCCN1C(=O)CCC1=O CCC[*:1] N#Cc1ccc(cc1)CN(C(=O)NCCN1C(=O)CCC1=O)[*:1]
CCCN(Cc1ccc(C#N)cc1)C(=O)NCCN1C(=O)CCC1=O O=C1CCC(=O)N1C[*:1] CCCN(Cc1ccc(C#N)cc1)C(=O)NC[*:1]
CCc1c([O-])c(/C(C)=N\O)c(=O)n(-c2ccccc2)c1-c1ccccc1 CC(=NO)[*:1] CCc1c([O-])c(c(=O)n(-c2ccccc2)c1-c1ccccc1)[*:1]
CCc1c([O-])c(/C(C)=N\O)c(=O)n(-c2ccccc2)c1-c1ccccc1 c1ccc(cc1)[*:1] CCc1c([O-])c(/C(C)=N\O)c(=O)n(c1-c1ccccc1)[*:1]
CCc1c([O-])c(/C(C)=N\O)c(=O)n(-c2ccccc2)c1-c1ccccc1 c1ccc(cc1)[*:1] CCc1c([O-])c(/C(C)=N\O)c(=O)n(-c2ccccc2)c1[*:1]
CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cccc(C)c4)c(=O)c3s2)CC1 Cc1cccc(c1)[*:1] CC[NH+]1CCN(CC1)c1nc2ncn(CC(=O)N[*:1])c(=O)c2s1
COc1ccccc1[C@@H]1O[C@H](C)Cn2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c21 COc1ccccc1[*:1] C[C@@H]1Cn2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c2[C@@H](O1)[*:1]
COc1ccccc1[C@@H]1O[C@H](C)Cn2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c21 c1ccc(cc1)[*:1] COc1ccccc1[C@@H]1O[C@H](C)Cn2c(c3c(=O)n(C)c(=O)n(C)c3c21)[*:1]
Cc1n[nH]c(S[C@H]2CCC[C@@](C#N)(NC(C)C)C2)n1 Cc1n[nH]c(n1)[*:1] CC(C)N[C@]1(C#N)CCC[C@@H](C1)S[*:1]
Cc1n[nH]c(S[C@H]2CCC[C@@](C#N)(NC(C)C)C2)n1 CC(C)[*:1] Cc1n[nH]c(n1)S[C@H]1CCC[C@](C#N)(C1)N[*:1]
Cc1n[nH]c(S[C@H]2CCC[C@@](C#N)(NC(C)C)C2)n1 CC(C)N[*:1] Cc1n[nH]c(n1)S[C@H]1CCC[C@@](C#N)(C1)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)c2cc(F)ccc2F)cc1 Fc1ccc(F)c(c1)[*:1] Cc1ccc(cc1)-n1nc(C)cc1NC(=O)[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)c2cc(F)ccc2F)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)c2cc(F)ccc2F)n(n1)[*:1]
O=C(c1cnc2ccccc2c1Nc1ccc(Br)cc1F)N1CCSCC1 O=C(N1CCSCC1)[*:1] Fc1cc(Br)ccc1Nc1c(cnc2ccccc12)[*:1]
O=C(c1cnc2ccccc2c1Nc1ccc(Br)cc1F)N1CCSCC1 Fc1cc(Br)ccc1N[*:1] O=C(c1cnc2ccccc2c1[*:1])N1CCSCC1
O=C(c1cnc2ccccc2c1Nc1ccc(Br)cc1F)N1CCSCC1 Fc1cc(Br)ccc1[*:1] O=C(c1cnc2ccccc2c1N[*:1])N1CCSCC1
CCCCOc1cccc(C(=O)Nc2nonc2-c2ccccc2)c1 CCC[*:1] O=C(Nc1nonc1-c1ccccc1)c1cccc(c1)OC[*:1]
CCCCOc1cccc(C(=O)Nc2nonc2-c2ccccc2)c1 c1ccc(cc1)[*:1] CCCCOc1cccc(c1)C(=O)Nc1nonc1[*:1]
CCCCOc1cccc(C(=O)Nc2nonc2-c2ccccc2)c1 CCCC[*:1] O=C(Nc1nonc1-c1ccccc1)c1cccc(c1)O[*:1]
CCCCOc1cccc(C(=O)Nc2nonc2-c2ccccc2)c1 CCCCO[*:1] O=C(Nc1nonc1-c1ccccc1)c1cccc(c1)[*:1]
Cc1ccc2[nH+]c(N)n(CCC3CC3)c2c1 C1CC1C[*:1] Cc1ccc2[nH+]c(N)n(C[*:1])c2c1
Cc1ccc2[nH+]c(N)n(CCC3CC3)c2c1 C1CC1[*:1] Cc1ccc2[nH+]c(N)n(CC[*:1])c2c1
Cc1ccc2[nH+]c(N)n(CCC3CC3)c2c1 C1CC1CC[*:1] Cc1ccc2[nH+]c(N)n(c2c1)[*:1]
O=C(Oc1ccccc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 O=C(Oc1ccccc1)[*:1] O=C1c2cccc(c2C(=O)N1c1ccc(cc1)[*:1])[N+](=O)[O-]
O=C(Oc1ccccc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 O=[N+]([O-])[*:1] O=C(Oc1ccccc1)c1ccc(cc1)N1C(=O)c2cccc(c2C1=O)[*:1]
O=C(Oc1ccccc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 c1ccc(cc1)[*:1] O=C(O[*:1])c1ccc(cc1)N1C(=O)c2cccc(c2C1=O)[N+](=O)[O-]
Cc1ccc([C@@H](C)N(C)C(=O)NCc2cccc(Cn3ccnc3)c2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)NCc1cccc(c1)Cn1ccnc1)[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)NCc2cccc(Cn3ccnc3)c2)cc1 Cc1ccc(cc1)[C@@H](C)[*:1] CN(C(=O)NCc1cccc(c1)Cn1ccnc1)[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)NCc2cccc(Cn3ccnc3)c2)cc1 c1cn(cn1)C[*:1] Cc1ccc(cc1)[C@@H](C)N(C)C(=O)NCc1cccc(c1)[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)NCc2cccc(Cn3ccnc3)c2)cc1 c1cn(cn1)[*:1] Cc1ccc(cc1)[C@@H](C)N(C)C(=O)NCc1cccc(c1)C[*:1]
CCc1nn(C)cc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)[C@@H](C)S[*:1]
CC(C)c1ccc(C(=O)NC2=NCCS2)cc1 CC(C)[*:1] O=C(NC1=NCCS1)c1ccc(cc1)[*:1]
CC(C)N(Cc1cccnc1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O CC(C)[*:1] O=C1[C@@H]2CCCC[C@H]2C(=O)N1CC(=O)N(Cc1cccnc1)[*:1]
CC(C)N(Cc1cccnc1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O c1cncc(c1)C[*:1] CC(C)N(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[*:1]
CC(C)N(Cc1cccnc1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O c1cncc(c1)[*:1] CC(C)N(C[*:1])C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O
O=S(=O)(CC1CC1)N1CCC[C@H]1[C@@H]1CCC[C@H]1O O[C@@H]1CCC[C@H]1[*:1] O=S(=O)(CC1CC1)N1CCC[C@@H]1[*:1]
O=S(=O)(CC1CC1)N1CCC[C@H]1[C@@H]1CCC[C@H]1O C1CC1C[*:1] O=S(=O)(N1CCC[C@H]1[C@@H]1CCC[C@H]1O)[*:1]
O=S(=O)(CC1CC1)N1CCC[C@H]1[C@@H]1CCC[C@H]1O C1CC1[*:1] O=S(=O)(C[*:1])N1CCC[C@H]1[C@@H]1CCC[C@H]1O
C=CC[NH+]1CCC(NC(=O)c2cnc(Cc3ccccc3)s2)CC1 c1ccc(cc1)C[*:1] C=CC[NH+]1CCC(CC1)NC(=O)c1cnc(s1)[*:1]
C=CC[NH+]1CCC(NC(=O)c2cnc(Cc3ccccc3)s2)CC1 c1ccc(cc1)[*:1] C=CC[NH+]1CCC(CC1)NC(=O)c1cnc(C[*:1])s1
CC(C)c1nc2cc(N[C@H](C(N)=O)c3ccccc3)ccc2o1 CC(C)[*:1] NC(=O)[C@@H](Nc1ccc2oc(nc2c1)[*:1])c1ccccc1
CC(C)c1nc2cc(N[C@H](C(N)=O)c3ccccc3)ccc2o1 c1ccc(cc1)[*:1] CC(C)c1nc2cc(ccc2o1)N[C@H](C(N)=O)[*:1]
CC(C)c1nc2cc(N[C@H](C(N)=O)c3ccccc3)ccc2o1 NC(=O)[*:1] CC(C)c1nc2cc(ccc2o1)N[C@H](c1ccccc1)[*:1]
O=C(NCC1CC1)c1cc2sc(Br)cc2n1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(NCC1CC1)c1cc2sc(Br)cc2n1[*:1]
O=C(NCC1CC1)c1cc2sc(Br)cc2n1Cc1ccccc1 O=C(NCC1CC1)[*:1] Brc1cc2c(cc(n2Cc2ccccc2)[*:1])s1
O=C(NCC1CC1)c1cc2sc(Br)cc2n1Cc1ccccc1 C1CC1[*:1] O=C(NC[*:1])c1cc2sc(Br)cc2n1Cc1ccccc1
O=C(NCC1CC1)c1cc2sc(Br)cc2n1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC1CC1)c1cc2sc(Br)cc2n1C[*:1]
O=C(NCC1CC1)c1cc2sc(Br)cc2n1Cc1ccccc1 C1CC1C[*:1] O=C(N[*:1])c1cc2sc(Br)cc2n1Cc1ccccc1
CC(C)Cn1nccc1NC(=O)C[C@@H]1C=CCC1 CC(C)[*:1] O=C(C[C@@H]1C=CCC1)Nc1ccnn1C[*:1]
CC(C)Cn1nccc1NC(=O)C[C@@H]1C=CCC1 CC(C)C[*:1] O=C(C[C@@H]1C=CCC1)Nc1ccnn1[*:1]
CCOc1cccc(NC(=O)NC[C@@H](C)C#N)c1 CCO[*:1] C[C@@H](C#N)CNC(=O)Nc1cccc(c1)[*:1]
CCOc1cccc(NC(=O)NC[C@@H](C)C#N)c1 C[C@@H](C#N)C[*:1] CCOc1cccc(c1)NC(=O)N[*:1]
Cc1nnc(SCCC(C)(C)O)n1C CC(C)(O)[*:1] Cc1nnc(SCC[*:1])n1C
C/[NH+]=C(/NCCc1ccc(S(C)(=O)=O)cc1)N1C[C@H]2CC=CC[C@H]2C1 CS(=O)(=O)[*:1] C/[NH+]=C(/NCCc1ccc(cc1)[*:1])N1C[C@H]2CC=CC[C@H]2C1
CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C=O)cc2)cc1 CCN(CC)C(=O)[*:1] O=Cc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C=O)cc2)cc1 O=Cc1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCn1ccnc1S[C@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(C)C CCn1ccnc1[*:1] CC(C)[C@H](S[*:1])C(=O)Nc1ccc(F)c(c1)[N+](=O)[O-]
CCn1ccnc1S[C@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(C)C CCn1ccnc1S[*:1] CC(C)[C@@H](C(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])[*:1]
CCn1ccnc1S[C@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(C)C O=[N+]([O-])[*:1] CCn1ccnc1S[C@H](C(=O)Nc1ccc(F)c(c1)[*:1])C(C)C
CCn1ccnc1S[C@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(C)C CC(C)[*:1] CCn1ccnc1S[C@H](C(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 O=[N+]([O-])[*:1] O=S(=O)(NCC1CC[NH+](CC1)Cc1ccccc1)c1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=S(=O)(NCC1CC[NH+](CC1)Cc1ccccc1)[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)NCC1CC[NH+](CC1)C[*:1]
O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)NCC1CC[NH+](CC1)[*:1]
Cc1cccc2sc(NC(=O)CS(=O)(=O)c3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1cccc2sc(nc12)NC(=O)CS(=O)(=O)[*:1]
CCc1c(C)sc(NC(=O)CN2CCN(c3ncccn3)CC2)c1C(=O)OC COC(=O)[*:1] CCc1c(C)sc(NC(=O)CN2CCN(CC2)c2ncccn2)c1[*:1]
CCc1c(C)sc(NC(=O)CN2CCN(c3ncccn3)CC2)c1C(=O)OC c1cnc(nc1)[*:1] CCc1c(C)sc(NC(=O)CN2CCN(CC2)[*:1])c1C(=O)OC
COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1c(F)cc(F)cc1F COC(=O)[*:1] O=C(Nc1c(F)cc(F)cc1F)N[C@@H]1CCC[C@H]1[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1 NC(=O)[*:1] O=c1[nH]c(CN2Cc3ccccc3C[C@H]2[*:1])nc2scc(-c3cccs3)c12
NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1 c1csc(c1)[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc2scc(c2c(=O)[nH]1)[*:1]
CCn1c(CNC(=O)c2csc(-c3cnn(C)c3)n2)nc2ccccc21 Cn1cc(cn1)[*:1] CCn1c(CNC(=O)c2csc(n2)[*:1])nc2ccccc21
CC[NH+](CC)[C@@H](CNC1=[NH+][C@H](C)CS1)c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@@H](CNC1=[NH+][C@H](C)CS1)[*:1]
Cc1cc(C)n(CC2CCN(C(=O)NCc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CC2CCN(CC2)C(=O)NC[*:1])n1
Cc1cc(C)n(CC2CCN(C(=O)NCc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] Cc1cc(C)n(CC2CCN(CC2)C(=O)N[*:1])n1
Cc1cc(C)n(CC2CCN(C(=O)NCc3ccccc3)CC2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCc1ccccc1)N1CCC(CC1)C[*:1]
Cc1cc(C)n(CC2CCN(C(=O)NCc3ccccc3)CC2)n1 Cc1cc(C)n(C[*:1])n1 O=C(NCc1ccccc1)N1CCC(CC1)[*:1]
Cc1nc(CNC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)sc1C Cc1nc(sc1C)[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NC[*:1]
Cc1nc(CNC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)sc1C Cc1nc(C[*:1])sc1C CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[*:1]
Cc1nc(CNC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)sc1C CC(C)(C)[*:1] Cc1nc(CNC(=O)[C@@H]2CCCCN2C(=O)O[*:1])sc1C
Cc1ccccc1N1CCN(C(=O)c2csc(C(C)C)c2)CC1 Cc1ccccc1[*:1] CC(C)c1cc(cs1)C(=O)N1CCN(CC1)[*:1]
Cc1ccccc1N1CCN(C(=O)c2csc(C(C)C)c2)CC1 CC(C)[*:1] Cc1ccccc1N1CCN(CC1)C(=O)c1csc(c1)[*:1]
O=C(N1CCC(COc2ccccn2)CC1)C1(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(N1CCC(CC1)COc1ccccn1)C1(CC1)[*:1]
O=C(N1CCC(COc2ccccn2)CC1)C1(c2cccc(F)c2)CC1 c1ccc(nc1)[*:1] O=C(N1CCC(CC1)CO[*:1])C1(CC1)c1cccc(F)c1
O=C(N1CCC(COc2ccccn2)CC1)C1(c2cccc(F)c2)CC1 c1ccc(nc1)O[*:1] O=C(N1CCC(CC1)C[*:1])C1(CC1)c1cccc(F)c1
O=C(N1CCC(COc2ccccn2)CC1)C1(c2cccc(F)c2)CC1 c1ccc(nc1)OC[*:1] O=C(N1CCC(CC1)[*:1])C1(CC1)c1cccc(F)c1
Cc1cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])sc1Br CC(C)[*:1] Cc1cc(sc1Br)C(=O)N[C@H](C[*:1])C(=O)[O-]
Cc1cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])sc1Br O=C([O-])[*:1] Cc1cc(sc1Br)C(=O)N[C@H](CC(C)C)[*:1]
Cc1cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])sc1Br CC(C)C[*:1] Cc1cc(sc1Br)C(=O)N[C@H](C(=O)[O-])[*:1]
CNC(=O)CN(C)C(=O)c1occc1Br CNC(=O)[*:1] CN(C[*:1])C(=O)c1occc1Br
CNC(=O)CN(C)C(=O)c1occc1Br CNC(=O)C[*:1] CN(C(=O)c1occc1Br)[*:1]
Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)NC(C)C)cc3)n2)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)c1ccc(cc1)-c1nc(CCN(C)C(=O)N[*:1])no1
Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)NC(C)C)cc3)n2)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)NC(=O)N(C)CCc1noc(n1)-c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)NC(C)C)cc3)n2)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)N(C)CCc1noc(n1)-c1ccc(cc1)C(=O)N[*:1]
CC(C)c1cccc(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CC(C)c1cccc(c1)Nc1ccc(cc1[*:1])S(C)(=O)=O
CC(C)c1cccc(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CC(C)c1cccc(c1)Nc1ccc(cc1S(C)(=O)=O)[*:1]
CC(C)c1cccc(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c1 CC(C)[*:1] CS(=O)(=O)c1ccc(Nc2cccc(c2)[*:1])c(c1)S(C)(=O)=O
CCCc1cc(NN)nc(-c2cnn(C)c2C)n1 CCC[*:1] Cc1c(cnn1C)-c1nc(cc(n1)[*:1])NN
COC[C@H](O)CC[NH2+][C@@H]1CCc2c(F)ccc(Br)c21 COC[C@H](O)C[*:1] Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C[*:1]
COC[C@H](O)CC[NH2+][C@@H]1CCc2c(F)ccc(Br)c21 COC[*:1] O[C@H](CC[NH2+][C@@H]1CCc2c(F)ccc(Br)c21)[*:1]
COC[C@H](O)CC[NH2+][C@@H]1CCc2c(F)ccc(Br)c21 COC[C@H](O)[*:1] Fc1ccc(Br)c2c1CC[C@H]2[NH2+]CC[*:1]
CCOC(=O)c1sc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1C CCOC(=O)[*:1] Cc1cc(NC(=O)c2ccc(F)c(c2)S(=O)(=O)N2CCOCC2)sc1[*:1]
CCOC(=O)c1sc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1C O=S(=O)(N1CCOCC1)[*:1] CCOC(=O)c1sc(cc1C)NC(=O)c1ccc(F)c(c1)[*:1]
CCOC(=O)c1ccc(CSc2nc([O-])cc(C(F)(F)F)n2)o1 CCOC(=O)[*:1] [O-]c1cc(nc(n1)SCc1ccc(o1)[*:1])C(F)(F)F
CCOC(=O)c1ccc(CSc2nc([O-])cc(C(F)(F)F)n2)o1 FC(F)(F)[*:1] CCOC(=O)c1ccc(CSc2nc([O-])cc(n2)[*:1])o1
CCOC(=O)[C@@H]1C[C@H]2CC[C@]1(C)C[C@]21NC(=O)c2cc(Cl)ccc2N1 CCOC(=O)[*:1] C[C@]12CC[C@H](C[C@H]1[*:1])[C@]1(C2)NC(=O)c2cc(Cl)ccc2N1
CSC[C@@H](CCO)NC(=O)NCc1ccc(C)c(F)c1 CSC[*:1] Cc1ccc(cc1F)CNC(=O)N[C@H](CCO)[*:1]
CSC[C@@H](CCO)NC(=O)NCc1ccc(C)c(F)c1 OCC[*:1] CSC[C@@H](NC(=O)NCc1ccc(C)c(F)c1)[*:1]
S=C1N(CN2CCOCC2)N[C@H](c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] S=C1N(CN2CCOCC2)N[C@H](c2c[nH]c3ccccc23)N1[*:1]
S=C1N(CN2CCOCC2)N[C@H](c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1 C1CN(CCO1)[*:1] S=C1N(C[*:1])N[C@H](c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1
S=C1N(CN2CCOCC2)N[C@H](c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1 c1ccc2c(c[nH]c2c1)[*:1] S=C1N(CN2CCOCC2)N[C@H](N1c1ccc(Cl)cc1)[*:1]
S=C1N(CN2CCOCC2)N[C@H](c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1 C1CN(CCO1)C[*:1] S=C1N(c2ccc(Cl)cc2)[C@H](NN1[*:1])c1c[nH]c2ccccc12
CCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)CC1=O c1cncc(c1)[*:1] CCN1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CN(CC(C)(C)O)C(=O)CCc1ncc(-c2ccccc2Cl)o1 Clc1ccccc1[*:1] CN(CC(C)(C)O)C(=O)CCc1ncc(o1)[*:1]
CN(CC(C)(C)O)C(=O)CCc1ncc(-c2ccccc2Cl)o1 CC(C)(O)C[*:1] CN(C(=O)CCc1ncc(o1)-c1ccccc1Cl)[*:1]
CN(CC(C)(C)O)C(=O)CCc1ncc(-c2ccccc2Cl)o1 CC(C)(O)[*:1] CN(C[*:1])C(=O)CCc1ncc(o1)-c1ccccc1Cl
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(C)cc(C)cc1C COC(=O)[*:1] CC1NC(=O)N[C@@H](C=1[*:1])c1c(C)cc(C)cc1C
CCn1c(Cc2ccccc2)nnc1Sc1snc(Cl)c1C#N c1ccc(cc1)C[*:1] CCn1c(nnc1[*:1])Sc1snc(Cl)c1C#N
CCn1c(Cc2ccccc2)nnc1Sc1snc(Cl)c1C#N c1ccc(cc1)[*:1] CCn1c(C[*:1])nnc1Sc1snc(Cl)c1C#N
CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c3ccccc23)C1 CCNC(=O)[*:1] COc1ccc(c2ccccc12)S(=O)(=O)N1CCC[C@H](C1)[*:1]
O=C1CCCN1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 O=C1CCCN1CC[*:1] O=C(NC[*:1])N1CCN(CC1)c1cc[nH+]cc1
O=C1CCCN1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 O=C1CCCN1[*:1] O=C(NCCC[*:1])N1CCN(CC1)c1cc[nH+]cc1
O=C1CCCN1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 O=C1CCCN1C[*:1] O=C(NCC[*:1])N1CCN(CC1)c1cc[nH+]cc1
CNC(=O)c1c(C)cccc1NC(=O)c1cccc(-c2nnc(C)o2)c1 Cc1nnc(o1)[*:1] CNC(=O)c1c(C)cccc1NC(=O)c1cccc(c1)[*:1]
CNC(=O)c1c(C)cccc1NC(=O)c1cccc(-c2nnc(C)o2)c1 CNC(=O)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)Nc1cccc(C)c1[*:1]
C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CO[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 Fc1ccc(cc1)O[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)S(N)(=O)=O
Cc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 O=C(C[*:1])c1ccccn1 Cc1ccccc1OCCN1C(=O)[C@@](O)(c2ccccc21)[*:1]
Cc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 Cc1ccccc1[*:1] O=C(C[C@]1(O)C(=O)N(CCO[*:1])c2ccccc21)c1ccccn1
Cc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 Cc1ccccc1OCC[*:1] O=C(C[C@]1(O)C(=O)N(c2ccccc21)[*:1])c1ccccn1
Cc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 O=C(c1ccccn1)[*:1] Cc1ccccc1OCCN1C(=O)[C@@](O)(C[*:1])c2ccccc21
Cc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 c1ccc(nc1)[*:1] Cc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)[*:1])c2ccccc21
Cc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 Cc1ccccc1OC[*:1] O=C(C[C@]1(O)C(=O)N(C[*:1])c2ccccc21)c1ccccn1
Cc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 Cc1ccccc1O[*:1] O=C(C[C@]1(O)C(=O)N(CC[*:1])c2ccccc21)c1ccccn1
CCN1C[C@H](CNC(=O)c2cc(COc3cc(C)ccc3C)on2)CC1=O Cc1ccc(C)c(c1)O[*:1] CCN1C[C@H](CNC(=O)c2cc(C[*:1])on2)CC1=O
CCN1C[C@H](CNC(=O)c2cc(COc3cc(C)ccc3C)on2)CC1=O Cc1ccc(C)c(c1)[*:1] CCN1C[C@H](CNC(=O)c2cc(CO[*:1])on2)CC1=O
C=CCOc1ccc(OC(=O)c2ncccc2C(F)(F)F)cc1 C=CC[*:1] O=C(Oc1ccc(cc1)O[*:1])c1ncccc1C(F)(F)F
C=CCOc1ccc(OC(=O)c2ncccc2C(F)(F)F)cc1 FC(F)(F)[*:1] C=CCOc1ccc(cc1)OC(=O)c1ncccc1[*:1]
C=CCOc1ccc(OC(=O)c2ncccc2C(F)(F)F)cc1 C=CCO[*:1] O=C(Oc1ccc(cc1)[*:1])c1ncccc1C(F)(F)F
O=C(NC(=S)NNC(=O)c1cccs1)c1cc2ccccc2o1 c1csc(c1)[*:1] O=C(NC(=S)NNC(=O)[*:1])c1cc2ccccc2o1
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Cl)cc2)NC(=S)N1 Clc1ccc(cc1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1ccccn1)[*:1]
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Cl)cc2)NC(=S)N1 c1ccc(nc1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1ccc(Cl)cc1
CCCn1cc2c3c(cccc31)CN(C(=O)c1cccc(C#N)c1)CC2 CCC[*:1] N#Cc1cccc(c1)C(=O)N1CCc2cn(c3cccc(C1)c23)[*:1]
CCCn1cc2c3c(cccc31)CN(C(=O)c1cccc(C#N)c1)CC2 N#Cc1cccc(c1)[*:1] CCCn1cc2CCN(Cc3cccc1c23)C(=O)[*:1]
CC(C)(C)N1C[C@@H](C(=O)NC2CCCC2)CC1=O CC(C)(C)[*:1] O=C(NC1CCCC1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)(C)N1C[C@@H](C(=O)NC2CCCC2)CC1=O C1CCC(C1)[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)N[*:1]
C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)[*:1]
O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(c1ccc(cc1)[N-]S(=O)(=O)[*:1])N1CCCc2ccccc21
CC(=O)N(C)c1cccc(N[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 N#CC1(CCCCC1)[*:1] CC(=O)N(C)c1cccc(c1)N[C@@H](C)C(=O)N[*:1]
CC(=O)N(C)c1cccc(N[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 CC(=O)N(C)[*:1] C[C@H](Nc1cccc(c1)[*:1])C(=O)NC1(C#N)CCCCC1
CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 Fc1ccc(cc1)[*:1] CCc1nnc2S[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@H](Nn12)[*:1]
CCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 Cc1ccc(cc1C)[*:1] CCc1nnc2S[C@H](C(=O)N[*:1])[C@@H](Nn12)c1ccc(F)cc1
CCCOc1ccc(CNC(=O)Nc2cccc(NC(C)=O)c2C)cc1 CC(=O)N[*:1] CCCOc1ccc(cc1)CNC(=O)Nc1cccc(c1C)[*:1]
CCCOc1ccc(CNC(=O)Nc2cccc(NC(C)=O)c2C)cc1 CCC[*:1] CC(=O)Nc1cccc(NC(=O)NCc2ccc(cc2)O[*:1])c1C
CCCOc1ccc(CNC(=O)Nc2cccc(NC(C)=O)c2C)cc1 CCCO[*:1] CC(=O)Nc1cccc(NC(=O)NCc2ccc(cc2)[*:1])c1C
CC(C)(CNC(=O)NCc1c(F)cccc1OC(F)F)c1ccncc1 FC(F)O[*:1] CC(C)(CNC(=O)NCc1c(F)cccc1[*:1])c1ccncc1
CC(C)(CNC(=O)NCc1c(F)cccc1OC(F)F)c1ccncc1 FC(F)[*:1] CC(C)(CNC(=O)NCc1c(F)cccc1O[*:1])c1ccncc1
CC(C)(CNC(=O)NCc1c(F)cccc1OC(F)F)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)NCc1c(F)cccc1OC(F)F)[*:1]
Cc1cc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccco3)CC2)c(C)s1 c1coc(c1)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1cc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccco3)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H](NC(=O)C1CCN(CC1)C(=O)c1ccco1)[*:1]
CSCC(=O)NNC(=O)N[C@@H](c1ncc(C)s1)C1CC1 CSC[*:1] Cc1cnc(s1)[C@H](NC(=O)NNC(=O)[*:1])C1CC1
CSCC(=O)NNC(=O)N[C@@H](c1ncc(C)s1)C1CC1 C1CC1[*:1] CSCC(=O)NNC(=O)N[C@@H](c1ncc(C)s1)[*:1]
CSCC(=O)NNC(=O)N[C@@H](c1ncc(C)s1)C1CC1 Cc1cnc(s1)[*:1] CSCC(=O)NNC(=O)N[C@@H](C1CC1)[*:1]
Cc1cc(N2CCC([NH2+]CC[NH+](C)C)CC2)nc(N2CCCC2)n1 C1CCN(C1)[*:1] Cc1cc(nc(n1)[*:1])N1CCC(CC1)[NH2+]CC[NH+](C)C
CCn1cc(CN2CCSC[C@H]2c2ccc(C)cc2)cn1 Cc1ccc(cc1)[*:1] CCn1cc(cn1)CN1CCSC[C@@H]1[*:1]
CCn1cc(CN2CCSC[C@H]2c2ccc(C)cc2)cn1 CCn1cc(cn1)[*:1] Cc1ccc(cc1)[C@@H]1CSCCN1C[*:1]
COc1cccc(/C=C2/N=C(c3cccc(F)c3)NC2=O)c1OC Fc1cccc(c1)[*:1] COc1cccc(/C=C2/N=C(NC2=O)[*:1])c1OC
CN(CC[NH+](C)C)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 O=C(N1CCSCC1)[*:1] CN(CC[NH+](C)C)C(=O)Nc1cccc(c1)[*:1]
CCOC(=O)C1=NN(c2ccccc2Cl)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 Clc1ccccc1[*:1] CCOC(=O)C1=NN([C@@H]2C(=O)N(C(=O)[C@@H]12)c1cccc(c1)[N+](=O)[O-])[*:1]
CCOC(=O)C1=NN(c2ccccc2Cl)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 O=[N+]([O-])[*:1] CCOC(=O)C1=NN(c2ccccc2Cl)[C@@H]2C(=O)N(C(=O)[C@@H]12)c1cccc(c1)[*:1]
CCOC(=O)C1=NN(c2ccccc2Cl)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 O=[N+]([O-])c1cccc(c1)[*:1] CCOC(=O)C1=NN(c2ccccc2Cl)[C@@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/[O-])c2ccccc2)[C@@H]1/C=C/c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CCCN1C(=O)C(=O)/C(=C(/[O-])c2ccccc2)[C@@H]1C=C[*:1]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/[O-])c2ccccc2)[C@@H]1/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 O=C([O-])CCCN1C(=O)C(=O)/C(=C(/[O-])c2ccccc2)[C@H]1[*:1]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/[O-])c2ccccc2)[C@@H]1/C=C/c1ccccc1 O=C([O-])[*:1] O=C1C(=O)N(CCC[*:1])[C@@H](/C=C/c2ccccc2)/C1=C(\[O-])c1ccccc1
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/[O-])c2ccccc2)[C@@H]1/C=C/c1ccccc1 O=C([O-])C[*:1] O=C1C(=O)N(CC[*:1])[C@@H](/C=C/c2ccccc2)/C1=C(\[O-])c1ccccc1
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/[O-])c2ccccc2)[C@@H]1/C=C/c1ccccc1 O=C([O-])CCC[*:1] O=C1C(=O)N([C@@H](/C=C/c2ccccc2)/C1=C(\[O-])c1ccccc1)[*:1]
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/[O-])c2ccccc2)[C@@H]1/C=C/c1ccccc1 O=C([O-])CC[*:1] O=C1C(=O)N(C[*:1])[C@@H](/C=C/c2ccccc2)/C1=C(\[O-])c1ccccc1
O=C([O-])CCCN1C(=O)C(=O)/C(=C(/[O-])c2ccccc2)[C@@H]1/C=C/c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CCCN1C(=O)C(=O)/C(=C(/[O-])[*:1])[C@@H]1/C=C/c1ccccc1
OCCN1CC[NH+](Cc2sccc2Br)CC1 OCC[*:1] Brc1ccsc1C[NH+]1CCN(CC1)[*:1]
O=C1C[C@@H](c2cccc(Cl)c2)c2ncn(-c3ccc(F)cc3)c2N1 Clc1cccc(c1)[*:1] O=C1C[C@@H](c2ncn(-c3ccc(F)cc3)c2N1)[*:1]
O=C1C[C@@H](c2cccc(Cl)c2)c2ncn(-c3ccc(F)cc3)c2N1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](c2cccc(Cl)c2)c2ncn(c2N1)[*:1]
O=C(CSc1nnc(-c2cccnc2)o1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1cccnc1)Nc1nc(cs1)[*:1]
O=C(CSc1nnc(-c2cccnc2)o1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])[*:1] O=C(CSc1nnc(o1)-c1cccnc1)Nc1nc(cs1)-c1ccc(cc1)[*:1]
O=C(CSc1nnc(-c2cccnc2)o1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 c1cncc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1nc(cs1)-c1ccc(cc1)[N+](=O)[O-]
CN(C(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)COCc1cc(on1)-c1ccc2OCOc2c1)[*:1]
CN(C(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1)C1CCCCC1 c1cc2OCOc2cc1[*:1] CN(C(=O)COCc1cc(on1)[*:1])C1CCCCC1
C#CCCOc1ccc(F)cc1C(C)=O C#CCCO[*:1] CC(=O)c1cc(F)ccc1[*:1]
C#CCCOc1ccc(F)cc1C(C)=O CC(=O)[*:1] C#CCCOc1ccc(F)cc1[*:1]
C#CCCOc1ccc(F)cc1C(C)=O C#CC[*:1] CC(=O)c1cc(F)ccc1OC[*:1]
C#CCCOc1ccc(F)cc1C(C)=O C#CCC[*:1] CC(=O)c1cc(F)ccc1O[*:1]
COc1ccc2cc(CNC(=O)N3CCC[C@H]3c3cc(C)no3)ccc2c1 Cc1cc(on1)[*:1] COc1ccc2cc(ccc2c1)CNC(=O)N1CCC[C@@H]1[*:1]
O=C(NCCc1cccs1)c1cnc2n(c1=O)CCS2 c1csc(c1)C[*:1] O=C(NC[*:1])c1cnc2SCCn2c1=O
O=C(NCCc1cccs1)c1cnc2n(c1=O)CCS2 c1csc(c1)[*:1] O=C(NCC[*:1])c1cnc2SCCn2c1=O
CCCNC(=O)[C@@H]1CCCN(c2nc(C3CC3)no2)C1 CCCNC(=O)[*:1] C1C[C@H](CN(C1)c1nc(no1)C1CC1)[*:1]
CCCNC(=O)[C@@H]1CCCN(c2nc(C3CC3)no2)C1 CCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nc(no1)C1CC1
CCCNC(=O)[C@@H]1CCCN(c2nc(C3CC3)no2)C1 C1CC1[*:1] CCCNC(=O)[C@@H]1CCCN(C1)c1nc(no1)[*:1]
C[C@@H](CC(=O)N(C)c1ccc(Cl)cn1)c1cccc(F)c1 Clc1ccc(nc1)[*:1] C[C@@H](CC(=O)N(C)[*:1])c1cccc(F)c1
C[C@@H](CC(=O)N(C)c1ccc(Cl)cn1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](CC(=O)N(C)c1ccc(Cl)cn1)[*:1]
CCCCn1ccc([C@H](O)C(C)C)c1 CC(C)[*:1] CCCCn1ccc(c1)[C@H](O)[*:1]
CCCCn1ccc([C@H](O)C(C)C)c1 CCC[*:1] CC(C)[C@@H](O)c1ccn(c1)C[*:1]
CCCCn1ccc([C@H](O)C(C)C)c1 CCCC[*:1] CC(C)[C@@H](O)c1ccn(c1)[*:1]
CC(C)[NH+](Cc1cn(C)nc1-c1cccnc1)C1CCC1 C1CC(C1)[*:1] CC(C)[NH+](Cc1cn(C)nc1-c1cccnc1)[*:1]
CC(C)[NH+](Cc1cn(C)nc1-c1cccnc1)C1CCC1 CC(C)[*:1] Cn1cc(C[NH+](C2CCC2)[*:1])c(n1)-c1cccnc1
CC(C)[NH+](Cc1cn(C)nc1-c1cccnc1)C1CCC1 c1cncc(c1)[*:1] CC(C)[NH+](Cc1cn(C)nc1[*:1])C1CCC1
COc1ccc(-c2noc(-c3nnn(-c4ccc(OC)c(Cl)c4)c3N)n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1Cl)-n1nnc(-c2nc(no2)[*:1])c1N
COc1ccc(-c2noc(-c3nnn(-c4ccc(OC)c(Cl)c4)c3N)n2)cc1 COc1ccc(cc1Cl)[*:1] COc1ccc(cc1)-c1noc(n1)-c1nnn(c1N)[*:1]
COc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] COc1ccc(F)cc1NC(=O)C(=O)NC[*:1]
Cc1nc(N)sc1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 Cc1nc(N)sc1[*:1] O=C(N1CCC[C@H](C1)c1[nH+]ccn1Cc1cscn1)[*:1]
Cc1nc(N)sc1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 c1nc(cs1)[*:1] Cc1nc(N)sc1C(=O)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
Cc1nc(N)sc1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 c1nc(cs1)C[*:1] Cc1nc(N)sc1C(=O)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
CC[C@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)[*:1]
CC[C@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)c1ccc(Br)cc1 Cc1nn(C)cc1[*:1] CC[C@H](NC(=O)N[C@@H](C)[*:1])c1ccc(Br)cc1
O=C(NCCCCl)[C@H]1CC(=O)N(CCC2=c3cc(F)ccc3=[NH+]C2)C1 O=C(NCCCCl)[*:1] O=C1C[C@@H](CN1CCC1C[NH+]=c2ccc(F)cc2=1)[*:1]
O=C(NCCCCl)[C@H]1CC(=O)N(CCC2=c3cc(F)ccc3=[NH+]C2)C1 ClCCC[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCC2C[NH+]=c3ccc(F)cc3=2)C1
O=C(NCCCCl)[C@H]1CC(=O)N(CCC2=c3cc(F)ccc3=[NH+]C2)C1 ClCC[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(CCC2C[NH+]=c3ccc(F)cc3=2)C1
Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C[S@@](C)=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C[S@@](C)=O)[*:1]
Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C[S@@](C)=O)c1ccccc1 Cc1cc(F)ccc1[*:1] C[S@@](=O)C[C@H](NC(=O)C(=O)N[*:1])c1ccccc1
Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@@](C)(O)c1cccs1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)NC[C@@](C)(O)c1cccs1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@@](C)(O)c1cccs1 c1csc(c1)[*:1] Cc1ccc(cc1NC(=O)NC[C@@](C)(O)[*:1])-c1ncco1
CC(=O)NCCc1nc2c(C)cccc2c(=O)n1C CC(=O)N[*:1] Cc1cccc2c(=O)n(C)c(CC[*:1])nc12
CC(=O)NCCc1nc2c(C)cccc2c(=O)n1C CC(=O)NCC[*:1] Cc1cccc2c(=O)n(C)c(nc12)[*:1]
CC(=O)NCCc1nc2c(C)cccc2c(=O)n1C CC(=O)NC[*:1] Cc1cccc2c(=O)n(C)c(C[*:1])nc12
O=C(NCC(F)(F)F)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 O=C(NCC(F)(F)F)[*:1] O=C(CN1C(=O)CCC1=O)N1CCC(CC1)[*:1]
O=C(NCC(F)(F)F)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 O=C1CCC(=O)N1C[*:1] O=C(NCC(F)(F)F)C1CCN(CC1)C(=O)[*:1]
O=C(NCC(F)(F)F)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 FC(F)(F)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)CN1C(=O)CCC1=O
O=C(NCC(F)(F)F)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 O=C1CCC(=O)N1[*:1] O=C(NCC(F)(F)F)C1CCN(CC1)C(=O)C[*:1]
O=C(NCC(F)(F)F)C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 FC(F)(F)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)CN1C(=O)CCC1=O
O=C(CCNC(=O)c1ccc2[nH]nnc2c1)Nc1ncc(Cc2cccc(F)c2)s1 Fc1cccc(c1)C[*:1] O=C(CCNC(=O)c1ccc2[nH]nnc2c1)Nc1ncc(s1)[*:1]
O=C(CCNC(=O)c1ccc2[nH]nnc2c1)Nc1ncc(Cc2cccc(F)c2)s1 Fc1cccc(c1)[*:1] O=C(CCNC(=O)c1ccc2[nH]nnc2c1)Nc1ncc(C[*:1])s1
O=C(CCNC(=O)c1ccc2[nH]nnc2c1)Nc1ncc(Cc2cccc(F)c2)s1 c1cc2[nH]nnc2cc1[*:1] O=C(CCNC(=O)[*:1])Nc1ncc(Cc2cccc(F)c2)s1
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)cn1 C1CN(CCO1)[*:1] CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(cn1)[*:1]
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)cn1 CC(C)(C)[*:1] O=C(Nc1ccc(cn1)N1CCOCC1)[C@H]1CCCN1C(=O)[*:1]
COc1c(Br)cc(CNc2ccccc2)cc1Br c1ccc(cc1)[*:1] COc1c(Br)cc(cc1Br)CN[*:1]
COCC[NH2+]CC(=O)NC[C@H]1Cc2ccccc21 COCC[*:1] O=C(C[NH2+][*:1])NC[C@H]1Cc2ccccc21
COCC[NH2+]CC(=O)NC[C@H]1Cc2ccccc21 COC[*:1] O=C(C[NH2+]C[*:1])NC[C@H]1Cc2ccccc21
COc1ccc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)C[*:1]
CC[C@@H](CC[NH3+])CCc1nc2c(C)cccc2s1 [NH3+]CC[*:1] CC[C@@H](CCc1nc2c(C)cccc2s1)[*:1]
Cc1ccc(-c2nc(CNC(=O)N(C)CCc3ccccc3)co2)cc1 Cc1ccc(cc1)[*:1] CN(CCc1ccccc1)C(=O)NCc1coc(n1)[*:1]
Cc1ccc(-c2nc(CNC(=O)N(C)CCc3ccccc3)co2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)N(C)C[*:1]
Cc1ccc(-c2nc(CNC(=O)N(C)CCc3ccccc3)co2)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)N(C)[*:1]
Cc1ccc(-c2nc(CNC(=O)N(C)CCc3ccccc3)co2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)N(C)CC[*:1]
COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC)c(OC)c2OC)c1 COc1cccc(c1)[*:1] COc1ccc(c(OC)c1OC)[C@@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)[*:1]
COc1cccc(CCCNC(=O)c2ccc[nH]2)c1 c1c[nH]c(c1)[*:1] COc1cccc(c1)CCCNC(=O)[*:1]
O=C(N[C@@H](CO)c1ccccc1F)c1cnn(-c2ccccc2)c1 Fc1ccccc1[*:1] O=C(N[C@@H](CO)[*:1])c1cnn(c1)-c1ccccc1
O=C(N[C@@H](CO)c1ccccc1F)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(N[C@@H](CO)c1ccccc1F)c1cnn(c1)[*:1]
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(OC)cc2OC)c1 COc1ccc(c(c1)OC)[*:1] COc1cccc(c1)NC(=O)N(Cc1nc2CCCCCn2n1)[*:1]
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(OC)cc2OC)c1 COc1cccc(c1)[*:1] COc1ccc(c(c1)OC)N(Cc1nc2CCCCCn2n1)C(=O)N[*:1]
CS[C@@H]1CCC[C@@H]1N(C)C(=O)NCc1ccncc1 c1cc(ccn1)[*:1] CS[C@@H]1CCC[C@@H]1N(C)C(=O)NC[*:1]
O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1C[C@@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)C[NH+]1CCSCC1)[C@@H]1C[C@H]1[*:1]
COc1cc(CCNC(=O)CCc2c(C)nc3ncnn3c2C)ccc1C COc1cc(ccc1C)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)NCC[*:1]
C[S@](=O)Cc1cccc(C(=O)NCc2nccn2Cc2ccccc2)c1 c1ccc(cc1)[*:1] C[S@](=O)Cc1cccc(c1)C(=O)NCc1nccn1C[*:1]
C[S@](=O)Cc1cccc(C(=O)NCc2nccn2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] C[S@](=O)Cc1cccc(c1)C(=O)NCc1nccn1[*:1]
CCOCCN(C)C(=O)C(C)(C)c1ccc(CC)cc1 CCOCC[*:1] CCc1ccc(cc1)C(C)(C)C(=O)N(C)[*:1]
CCOCCN(C)C(=O)C(C)(C)c1ccc(CC)cc1 CCO[*:1] CCc1ccc(cc1)C(C)(C)C(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)C(C)(C)c1ccc(CC)cc1 CCOC[*:1] CCc1ccc(cc1)C(C)(C)C(=O)N(C)C[*:1]
CCOC(=O)c1ccc(NC(=O)Oc2ccc(OC)cc2)cc1 CCOC(=O)[*:1] COc1ccc(cc1)OC(=O)Nc1ccc(cc1)[*:1]
O=C(CCn1cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 c1ccc2c(c1)ncn2C[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCCC1
O=C(CCn1cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 O=S(=O)(N1CCCCCC1)[*:1] O=C(CCn1cnc2ccccc21)Nc1cccc(c1)[*:1]
O=C(CCn1cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 c1ccc2c(c1)ncn2[*:1] O=C(CC[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCCC1
CCCOC[C@H]([NH2+]CC)c1cscc1Br CCCO[*:1] CC[NH2+][C@@H](C[*:1])c1cscc1Br
CCCOC[C@H]([NH2+]CC)c1cscc1Br CCCOC[*:1] CC[NH2+][C@H](c1cscc1Br)[*:1]
CCCOC[C@H]([NH2+]CC)c1cscc1Br CCC[*:1] CC[NH2+][C@@H](CO[*:1])c1cscc1Br
CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[nH]c(=O)c21 Cc1ccccc1[*:1] CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)SC[*:1]
CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[nH]c(=O)c21 Cc1ccccc1C[*:1] CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)S[*:1]
CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[nH]c(=O)c21 CCc1ccccc1[*:1] Cc1ccccc1CSc1nc2NC(=O)C[C@H](C(=O)N[*:1])c2c(=O)[nH]1
CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[nH]c(=O)c21 Cc1ccccc1CS[*:1] CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC(C)(C)c1ccncc1 CC(C)(C)[*:1] C[C@@H]1CN(CCN1C(=O)NCC(C)(C)c1ccncc1)C(=O)O[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H]1CN(CCN1C(=O)NCC(C)(C)[*:1])C(=O)OC(C)(C)C
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC(C)(C)c1ccncc1 CC(C)(c1ccncc1)[*:1] C[C@@H]1CN(CCN1C(=O)NC[*:1])C(=O)OC(C)(C)C
CC(C)N1C[C@H](C(=O)NCCc2csc3ccccc23)CC1=O CC(C)[*:1] O=C(NCCc1csc2ccccc12)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(C(=O)CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)C[*:1]
Cc1ccc(C(=O)CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
Cc1ccc(C(=O)CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
O=C(OCc1cc(-c2ccc(F)cc2)on1)c1ccc[nH]c1=O O=c1[nH]cccc1[*:1] O=C(OCc1cc(on1)-c1ccc(F)cc1)[*:1]
O=C(OCc1cc(-c2ccc(F)cc2)on1)c1ccc[nH]c1=O Fc1ccc(cc1)[*:1] O=C(OCc1cc(on1)[*:1])c1ccc[nH]c1=O
CC[C@](C)([C@H]([NH2+]C)C1CC1)[NH+]1CCCCC1 C1CC1[*:1] CC[C@](C)([C@H]([NH2+]C)[*:1])[NH+]1CCCCC1
COc1ccccc1/C=C/C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] COc1ccccc1/C=C/C(=O)N1CCN(CC1)C[*:1]
COc1ccccc1/C=C/C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] COc1ccccc1/C=C/C(=O)N1CCN(CC1)[*:1]
COc1ccccc1/C=C/C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 COc1ccccc1[*:1] O=C(C=C[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NN1C(=O)NC(C1=O)(c1ccccc1)[*:1])c1ccc(cc1)-c1ccccc1
O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccc(cc1)[*:1]
O=C(NCc1ccc(Cl)cc1Cl)NC1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(NCc1ccc(Cl)cc1Cl)NC1CCN(CC1)C(=O)[*:1]
O=C(NCc1ccc(Cl)cc1Cl)NC1CCN(C(=O)c2ccco2)CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(NC[*:1])NC1CCN(CC1)C(=O)c1ccco1
C[C@@H](C(=O)Nc1ccc(-c2cn3ccnnc3n2)cc1)N1CCCC1=O O=C1CCCN1[*:1] C[C@@H](C(=O)Nc1ccc(cc1)-c1cn2ccnnc2n1)[*:1]
Cc1cc(C)n(-c2cccc(CC[NH3+])c2)n1 [NH3+]CC[*:1] Cc1cc(C)n(n1)-c1cccc(c1)[*:1]
CC(=O)Oc1cc2c(C(=O)NCc3cccnc3)c(C)oc2c2ccccc12 c1cncc(c1)[*:1] CC(=O)Oc1cc2c(C(=O)NC[*:1])c(C)oc2c2ccccc12
CC(=O)Oc1cc2c(C(=O)NCc3cccnc3)c(C)oc2c2ccccc12 CC(=O)O[*:1] Cc1oc2c(cc(c3ccccc32)[*:1])c1C(=O)NCc1cccnc1
CC(=O)Oc1cc2c(C(=O)NCc3cccnc3)c(C)oc2c2ccccc12 c1cncc(c1)C[*:1] CC(=O)Oc1cc2c(C(=O)N[*:1])c(C)oc2c2ccccc12
CCO[C@@H](C)c1noc(CNC(=O)N[C@@H](C)c2ccc3ccccc3c2)n1 CCO[C@@H](C)[*:1] C[C@H](NC(=O)NCc1nc(no1)[*:1])c1ccc2ccccc2c1
CCO[C@@H](C)c1noc(CNC(=O)N[C@@H](C)c2ccc3ccccc3c2)n1 CCO[*:1] C[C@H](NC(=O)NCc1nc(no1)[C@H](C)[*:1])c1ccc2ccccc2c1
CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H](O)c2ccc(Cl)cc2)s1 O=[N+]([O-])[*:1] CS(=O)(=O)c1cc(c(NC[C@H](O)c2ccc(Cl)cc2)s1)[*:1]
CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H](O)c2ccc(Cl)cc2)s1 CS(=O)(=O)[*:1] O=[N+]([O-])c1cc(sc1NC[C@H](O)c1ccc(Cl)cc1)[*:1]
CS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H](O)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CS(=O)(=O)c1cc(c(NC[C@H](O)[*:1])s1)[N+](=O)[O-]
CCOc1cc(C#N)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl CCO[*:1] N#Cc1ccc(OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)c(c1)[*:1]
CCOc1cc(C#N)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] CCOc1cc(C#N)ccc1OCC(=O)Nc1cc(ccc1Cl)[*:1]
Cc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 Cc1ccccc1[*:1] N#Cc1cc2cc3OCCOc3cc2nc1SCC(=O)N[*:1]
COc1ccc([C@@H](NC(=O)[C@H]2SCCc3ccccc32)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@@H](C1CCOCC1)[*:1])[C@H]1SCCc2ccccc21
COc1ccc([C@@H](NC(=O)[C@H]2SCCc3ccccc32)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)[C@H]1SCCc2ccccc21)[*:1]
Cc1csc([C@H](C#N)C(=O)CCc2ccco2)n1 c1coc(c1)[*:1] Cc1csc(n1)[C@H](C#N)C(=O)CC[*:1]
Cc1csc([C@H](C#N)C(=O)CCc2ccco2)n1 Cc1csc(n1)[*:1] N#C[C@H](C(=O)CCc1ccco1)[*:1]
Cc1csc([C@H](C#N)C(=O)CCc2ccco2)n1 c1coc(c1)C[*:1] Cc1csc(n1)[C@H](C#N)C(=O)C[*:1]
O=C(NCc1ccnc(-n2ccnc2)c1)c1ccccc1-c1cncnc1 c1ncc(cn1)[*:1] O=C(NCc1ccnc(c1)-n1ccnc1)c1ccccc1[*:1]
O=C(NCc1ccnc(-n2ccnc2)c1)c1ccccc1-c1cncnc1 c1cn(cn1)[*:1] O=C(NCc1ccnc(c1)[*:1])c1ccccc1-c1cncnc1
C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCc1ccc([nH+]c1)N1CCCCC1
C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 O=C(N[*:1])c1ccoc1 C[C@H](C(=O)NCc1ccc([nH+]c1)N1CCCCC1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 C1CCN(CC1)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc([nH+]c1)[*:1]
C[C@H](O)c1cc(F)ccc1O[C@@H]1CCC[C@@H]1O C[C@H](O)[*:1] O[C@H]1CCC[C@H]1Oc1ccc(F)cc1[*:1]
Cc1ccc(Cl)cc1N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccco2)CC1 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)[C@@H](c1nnnn1Cc1ccco1)[*:1]
Cc1ccc(Cl)cc1N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccco2)CC1 c1coc(c1)C[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)[C@@H](c1ccccc1)c1nnnn1[*:1]
Cc1ccc(Cl)cc1N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccco2)CC1 Cc1ccc(Cl)cc1[*:1] c1ccc(cc1)[C@@H](c1nnnn1Cc1ccco1)N1CCN(CC1)[*:1]
Cc1ccc(Cl)cc1N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccco2)CC1 c1coc(c1)[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)[C@@H](c1ccccc1)c1nnnn1C[*:1]
C[C@@H]1CCc2nc(CN3CCC(C(=O)Nc4ccc(F)cc4)CC3)sc2C1 Fc1ccc(cc1)[*:1] C[C@@H]1CCc2nc(CN3CCC(CC3)C(=O)N[*:1])sc2C1
O=S(=O)(NCCCO)c1cccc2ccccc12 OCC[*:1] O=S(=O)(NC[*:1])c1cccc2ccccc12
O=S(=O)(NCCCO)c1cccc2ccccc12 OCCC[*:1] O=S(=O)(N[*:1])c1cccc2ccccc12
Cc1cc(CNC(=O)CS(=O)(=O)Cc2ncoc2C(C)C)ccc1F CC(C)[*:1] Cc1cc(ccc1F)CNC(=O)CS(=O)(=O)Cc1ncoc1[*:1]
Cc1cc(CNC(=O)CS(=O)(=O)Cc2ncoc2C(C)C)ccc1F Cc1cc(ccc1F)[*:1] CC(C)c1ocnc1CS(=O)(=O)CC(=O)NC[*:1]
CC(C)c1[nH+]ccn1CC1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CC(C)c1[nH+]ccn1CC1CCN(CC1)C(=O)[*:1]
CC(C)c1[nH+]ccn1CC1CCN(C(=O)c2ccccc2F)CC1 CC(C)[*:1] O=C(c1ccccc1F)N1CCC(CC1)Cn1cc[nH+]c1[*:1]
CNC(=O)c1cccnc1N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 CNC(=O)[*:1] C[C@@H]1CN(CC2CCN(CC2)c2ncccc2[*:1])C[C@@H](C)O1
O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@H]1COc2ccc(F)cc2C1 C1C[C@@H](CO1)[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@H]1COc2ccc(F)cc2C1
O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@H]1COc2ccc(F)cc2C1 C1C[C@@H](CO1)O[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1COc2ccc(F)cc2C1
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 C1CCN(CC1)[*:1] CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 O=C(Nc1cccc(F)c1)[*:1] CN(C[*:1])C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 Fc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(c(c1)[*:1])N1CCCCC1
COC(=O)[C@H](Br)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)[C@H](Br)Cc1cccc(c1)[*:1]
COC(=O)[C@H](Br)Cc1cccc(C(F)(F)F)c1 COC(=O)[*:1] FC(F)(F)c1cccc(c1)C[C@@H](Br)[*:1]
C[C@H](Cc1ccccn1)NC(=O)CSCc1ccccc1Cl c1ccc(C[*:1])nc1 C[C@H](NC(=O)CSCc1ccccc1Cl)[*:1]
C[C@H](Cc1ccccn1)NC(=O)CSCc1ccccc1Cl c1ccc(nc1)[*:1] C[C@H](C[*:1])NC(=O)CSCc1ccccc1Cl
C[C@H](Cc1ccccn1)NC(=O)CSCc1ccccc1Cl Clc1ccccc1[*:1] C[C@H](Cc1ccccn1)NC(=O)CSC[*:1]
C/C=C/C=C/C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 CC=C[*:1] O=C(C=C[*:1])N[C@@H]1CCN(C1)c1c(F)cccc1F
C/C=C/C=C/C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 C/C=C/C=C[*:1] O=C(N[C@@H]1CCN(C1)c1c(F)cccc1F)[*:1]
N#C[C@H](C(=O)CCc1cc(Cl)cs1)c1ccc(F)cn1 Clc1csc(c1)[*:1] N#C[C@H](C(=O)CC[*:1])c1ccc(F)cn1
Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(C)c1 FC(F)(F)[*:1] Cc1cc(C)c(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccc(c2)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(C)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1cc(C)c(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])c(C)c1
Cc1ccc(C(=O)NCCc2c[nH]c3cccc(C4(O)CCCC4)c23)cn1 OC1(CCCC1)[*:1] Cc1ccc(cn1)C(=O)NCCc1c[nH]c2cccc(c12)[*:1]
Cc1ccc(C(=O)NCCc2c[nH]c3cccc(C4(O)CCCC4)c23)cn1 Cc1ccc(cn1)[*:1] O=C(NCCc1c[nH]c2cccc(c12)C1(O)CCCC1)[*:1]
CC(=O)c1cc(C(=O)Nc2cccc(-c3cnco3)c2)n(C)c1 CC(=O)[*:1] Cn1cc(cc1C(=O)Nc1cccc(c1)-c1cnco1)[*:1]
CC(=O)c1cc(C(=O)Nc2cccc(-c3cnco3)c2)n(C)c1 c1ncc(o1)[*:1] CC(=O)c1cc(C(=O)Nc2cccc(c2)[*:1])n(C)c1
CC(=O)c1cccc(NC(=O)NCC(C)(C)O)c1 CC(=O)[*:1] CC(C)(O)CNC(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)NCC(C)(C)O)c1 CC(C)(O)[*:1] CC(=O)c1cccc(c1)NC(=O)NC[*:1]
CC(=O)c1cccc(NC(=O)NCC(C)(C)O)c1 CC(C)(O)C[*:1] CC(=O)c1cccc(c1)NC(=O)N[*:1]
COc1ccc2sc(C(=O)NCCOC(C)C)c(Cl)c2c1 CC(C)[*:1] COc1ccc2sc(C(=O)NCCO[*:1])c(Cl)c2c1
COc1ccc2sc(C(=O)NCCOC(C)C)c(Cl)c2c1 CC(C)OC[*:1] COc1ccc2sc(C(=O)NC[*:1])c(Cl)c2c1
COc1ccc2sc(C(=O)NCCOC(C)C)c(Cl)c2c1 CC(C)OCC[*:1] COc1ccc2sc(C(=O)N[*:1])c(Cl)c2c1
COc1ccc2sc(C(=O)NCCOC(C)C)c(Cl)c2c1 CC(C)O[*:1] COc1ccc2sc(C(=O)NCC[*:1])c(Cl)c2c1
CC[NH2+][C@@H](c1cncc(Br)c1)c1cccc2ccccc12 Brc1cncc(c1)[*:1] CC[NH2+][C@@H](c1cccc2ccccc12)[*:1]
COc1ccc(C)cc1NC(=O)CCC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)CCC(=O)[*:1]
CCc1cccc(C)c1NC(=S)NCc1ccccc1 c1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=S)NC[*:1]
CCn1nc(C)c(NC(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)c1C CCn1nc(C)c(c1C)[*:1] O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)N[*:1]
CCn1nc(C)c(NC(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)c1C c1ccc(cc1)C[*:1] CCn1nc(C)c(NC(=O)NC[C@@H](c2ccccc2)[*:1])c1C
CCn1nc(C)c(NC(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)NC[C@@H](C[*:1])c2ccccc2)c1C
CCn1nc(C)c(NC(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)NC[C@@H](Cc2ccccc2)[*:1])c1C
Cc1ccccc1CN(C)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1ccccc1CN(C)C(=O)[C@H]1CCCN(C1)C(=O)O[*:1]
Cc1ccccc1CN(C)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)[C@H]1CCCN(C1)C(=O)OC(C)(C)C
Cc1ccccc1CN(C)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 Cc1ccccc1C[*:1] CN(C(=O)[C@H]1CCCN(C1)C(=O)OC(C)(C)C)[*:1]
CN1C(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)=N[C@H]2C=CC=C[C@H]21 c1ccc(cc1)[*:1] CN1C(/C=N/Nc2nc(cc(n2)[*:1])-c2ccccc2)=N[C@H]2C=CC=C[C@H]21
O=C(Nc1ccc2c(c1)COC2)N1CCn2c(nnc2C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1ccc2COCc2c1)N1CCn2c(C1)nnc2[*:1]
Cc1cccc2c(N3CCC[C@H](c4nncn4C4CC4)C3)cc[nH+]c12 c1nnc(n1C1CC1)[*:1] Cc1cccc2c(cc[nH+]c12)N1CCC[C@H](C1)[*:1]
Cc1cccc2c(N3CCC[C@H](c4nncn4C4CC4)C3)cc[nH+]c12 C1CC1[*:1] Cc1cccc2c(cc[nH+]c12)N1CCC[C@@H](C1)c1nncn1[*:1]
C[C@@]1(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCCO1 Fc1ccc(cc1)[*:1] C[C@]1(CCCO1)C(=O)N[C@@H](CC(F)(F)F)[*:1]
C[C@@]1(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCCO1 FC(F)(F)C[*:1] C[C@]1(CCCO1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
C[C@@]1(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCCO1 FC(F)(F)[*:1] C[C@]1(CCCO1)C(=O)N[C@@H](C[*:1])c1ccc(F)cc1
N#Cc1ccc(CNS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(NC[*:1])c1cnn(c1)Cc1ccccc1
N#Cc1ccc(CNS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)CNS(=O)(=O)c1cnn(c1)C[*:1]
N#Cc1ccc(CNS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 c1ccc(cc1)C[*:1] N#Cc1ccc(cc1)CNS(=O)(=O)c1cnn(c1)[*:1]
Cc1ccc(C(O)(C(=O)Nc2ccccn2)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(O)(C(=O)Nc1ccccn1)[*:1]
Cc1ccc(C(O)(C(=O)Nc2ccccn2)c2ccc(C)cc2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)C(O)(C(=O)N[*:1])c1ccc(C)cc1
CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCNC(N)=O NC(=O)NCC[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCNC(N)=O NC(=O)N[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)CC[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCNC(N)=O NC(=O)NC[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)C[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O CCC[*:1] C[C@H]1CCCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)[C@@H]1[*:1]
Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1ccc(C(N)=O)o1 c1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)NCc1ccc(o1)C(N)=O)[*:1]
Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1ccc(C(N)=O)o1 NC(=O)[*:1] Cc1nc(sc1[C@H](C)NCc1ccc(o1)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1ccc(C(N)=O)o1 NC(=O)c1ccc(o1)[*:1] Cc1nc(sc1[C@H](C)NC[*:1])-c1ccccc1
O=C(CCNC(=O)c1ccccc1)Nc1cc2c(cc1Br)OCCO2 c1ccc(cc1)[*:1] O=C(CCNC(=O)[*:1])Nc1cc2OCCOc2cc1Br
C/C(=N\CCO)C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1 OCC[*:1] C/C(=N\CCO)C1=C(O)C(=O)N([C@H]1c1ccccc1)[*:1]
C/C(=N\CCO)C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1 OCC[*:1] CC(=N[*:1])C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1
C/C(=N\CCO)C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1 CC(=NCCO)[*:1] O=C1C(O)=C([C@H](c2ccccc2)N1CCO)[*:1]
C/C(=N\CCO)C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C/C(=N\CCO)C1=C(O)C(=O)N(CCO)[C@@H]1[*:1]
C[C@H]1CN([C@@H](C(=O)[O-])C(C)(C)C)S(=O)(=O)C1 O=C([O-])[*:1] C[C@H]1CN([C@@H](C(C)(C)C)[*:1])S(=O)(=O)C1
C[C@H]1CN([C@@H](C(=O)[O-])C(C)(C)C)S(=O)(=O)C1 CC(C)(C)[*:1] C[C@H]1CN([C@@H](C(=O)[O-])[*:1])S(=O)(=O)C1
COC(=O)C1(N(C)C(=O)c2[nH]c(C)cc2C)CCCCC1 COC(=O)[*:1] Cc1cc(C)c([nH]1)C(=O)N(C)C1(CCCCC1)[*:1]
COC(=O)C1(N(C)C(=O)c2[nH]c(C)cc2C)CCCCC1 Cc1cc(C)c([nH]1)[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)[*:1]
CSC(C)(C)CNC(=O)C=C(C)C CC(C)=C[*:1] CSC(C)(C)CNC(=O)[*:1]
O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccc(O)cc2)N1Cc1ccncc1 Oc1ccc(cc1)C[*:1] O=S1(=O)c2ccccc2[C@H](O)[C@@H](N1Cc1ccncc1)[*:1]
O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccc(O)cc2)N1Cc1ccncc1 Oc1ccc(cc1)[*:1] O=S1(=O)c2ccccc2[C@H](O)[C@@H](C[*:1])N1Cc1ccncc1
O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccc(O)cc2)N1Cc1ccncc1 c1cc(ccn1)[*:1] O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccc(O)cc2)N1C[*:1]
O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccc(O)cc2)N1Cc1ccncc1 c1cc(ccn1)C[*:1] O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccc(O)cc2)N1[*:1]
O=C1CC[C@H](CNC(=O)[C@@H]2Cc3[nH+]c[nH]c3CN2)N1 O=C1CC[C@H](N1)[*:1] O=C(NC[*:1])[C@@H]1Cc2[nH+]c[nH]c2CN1
C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)N1CCc2ccccc21 CC(C)(C)[*:1] C[C@H](CNC(=O)c1cnn(c1)[*:1])N1CCc2ccccc21
CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 CN(C)S(=O)(=O)[*:1] O=[N+]([O-])c1ccccc1N1CC[NH+](CC1)Cc1ccc(o1)[*:1]
CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 O=[N+]([O-])c1ccccc1[*:1] CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(CC2)[*:1])o1
CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 O=[N+]([O-])[*:1] CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(CC2)c2ccccc2[*:1])o1
CC(=O)C[C@H]1CCCCCN1C(=O)c1cc(C)ccc1O CC(=O)[*:1] Cc1ccc(O)c(c1)C(=O)N1CCCCC[C@@H]1C[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)c1cc(C)ccc1O CC(=O)C[*:1] Cc1ccc(O)c(c1)C(=O)N1CCCCC[C@@H]1[*:1]
CCn1ccc(C(=O)Nc2cccc3nc(C)ccc23)n1 CCn1ccc(n1)[*:1] Cc1ccc2c(cccc2n1)NC(=O)[*:1]
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc2ccc(OC)cc2n1C CNC(=O)[*:1] COc1ccc2cc(C(=O)N3C[C@@H]([NH3+])C[C@H]3[*:1])n(C)c2c1
N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@@H]1c1cccs1)S(=O)(=O)CC2 Fc1ccc(cc1)[*:1] N#CC1=C(N)N(C2CCS(=O)(=O)C=2[C@@H]1c1cccs1)[*:1]
N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@@H]1c1cccs1)S(=O)(=O)CC2 c1csc(c1)[*:1] N#CC1=C(N)N(C2CCS(=O)(=O)C=2[C@H]1[*:1])c1ccc(F)cc1
O=C(C1CCC1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 c1cc(cs1)[*:1] O=C(C1CCC1)N1CCC(CC1)c1nnc(o1)[*:1]
O=C(C1CCC1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 C1CC(C1)[*:1] O=C(N1CCC(CC1)c1nnc(o1)-c1ccsc1)[*:1]
CC(C)[C@@H](C(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1 CC(C)[*:1] O=C(NC1CCN(CC1)C(=O)c1ccco1)[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](C(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1 c1coc(c1)[*:1] CC(C)[C@@H](C(=O)NC1CCN(CC1)C(=O)[*:1])c1ccccc1
CC(C)[C@@H](C(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)NC1CCN(CC1)C(=O)c1ccco1)[*:1]
O=C(Cc1cccc(F)c1F)N[C@@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] O=C(Cc1cccc(F)c1F)N[C@@H]1CCN(C1=O)[*:1]
O=C(Cc1cccc(F)c1F)N[C@@H]1CCN(c2ccccc2F)C1=O Fc1cccc(c1F)[*:1] O=C(C[*:1])N[C@@H]1CCN(C1=O)c1ccccc1F
CCC1(CC)C[C@H]1C(=O)N1CCc2c(C(=O)N(C)Cc3ccsc3)c(OC)cc(=O)n2CC1 c1cc(cs1)C[*:1] CCC1(CC)C[C@H]1C(=O)N1CCc2c(C(=O)N(C)[*:1])c(cc(=O)n2CC1)OC
CCC1(CC)C[C@H]1C(=O)N1CCc2c(C(=O)N(C)Cc3ccsc3)c(OC)cc(=O)n2CC1 c1cc(cs1)[*:1] CCC1(CC)C[C@H]1C(=O)N1CCc2c(C(=O)N(C)C[*:1])c(cc(=O)n2CC1)OC
CCC1(CC)C[C@H]1C(=O)N1CCc2c(C(=O)N(C)Cc3ccsc3)c(OC)cc(=O)n2CC1 CN(Cc1ccsc1)C(=O)[*:1] CCC1(CC)C[C@H]1C(=O)N1CCc2c(c(cc(=O)n2CC1)OC)[*:1]
CCCCC[C@@H](Br)CC CCC[*:1] CC[C@H](Br)CC[*:1]
CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)cc1 CC(C)C[*:1] C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)cc1 C1CC(CCO1)[*:1] CC(C)Cc1ccc(cc1)[C@H](C)[NH2+]C[C@H](O)[*:1]
CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)cc1 CC(C)[*:1] C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(cc1)C[*:1]
CO[C@H](C)C(=O)Cc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] CO[C@H](C)C(=O)Cc1nc(cs1)[*:1]
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(Cn2cccn2)cc1 c1ccc(cc1)C[*:1] CN(Cc1cnn(c1)[*:1])C(=O)c1ccc(cc1)Cn1cccn1
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] CN(Cc1cnn(c1)Cc1ccccc1)C(=O)c1ccc(cc1)[*:1]
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(Cn2cccn2)cc1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)C[*:1])C(=O)c1ccc(cc1)Cn1cccn1
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] CN(Cc1cnn(c1)Cc1ccccc1)C(=O)c1ccc(cc1)C[*:1]
COC(=O)[C@@H]1C/C(=N/NS(=O)(=O)c2ccc(C)cc2)CS1 COC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N/N=C1\CS[C@@H](C1)[*:1]
COC(=O)[C@@H]1C/C(=N/NS(=O)(=O)c2ccc(C)cc2)CS1 Cc1ccc(cc1)[*:1] COC(=O)[C@@H]1C/C(CS1)=N/NS(=O)(=O)[*:1]
COC(C)(C)C[C@@H](C)NC(=O)N1CCC(C(=O)NC(C)C)CC1 CC(C)NC(=O)[*:1] COC(C)(C)C[C@@H](C)NC(=O)N1CCC(CC1)[*:1]
COC(C)(C)C[C@@H](C)NC(=O)N1CCC(C(=O)NC(C)C)CC1 CC(C)[*:1] COC(C)(C)C[C@@H](C)NC(=O)N1CCC(CC1)C(=O)N[*:1]
COC(C)(C)C[C@@H](C)NC(=O)N1CCC(C(=O)NC(C)C)CC1 COC(C)(C)[*:1] CC(C)NC(=O)C1CCN(CC1)C(=O)N[C@H](C)C[*:1]
COC(C)(C)C[C@@H](C)NC(=O)N1CCC(C(=O)NC(C)C)CC1 COC(C)(C)C[*:1] CC(C)NC(=O)C1CCN(CC1)C(=O)N[C@H](C)[*:1]
O=C(c1ccc(-c2cnco2)cc1)N1CCN(c2ccc(F)cc2)CC1 c1ncc(o1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(c1ccc(-c2cnco2)cc1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(cc1)-c1cnco1)N1CCN(CC1)[*:1]
c1ccc(-c2cc3c(SCCn4cccn4)ncnc3s2)cc1 c1cnn(c1)CC[*:1] c1ccc(cc1)-c1cc2c(ncnc2s1)S[*:1]
c1ccc(-c2cc3c(SCCn4cccn4)ncnc3s2)cc1 c1cnn(c1)[*:1] c1ccc(cc1)-c1cc2c(ncnc2s1)SCC[*:1]
c1ccc(-c2cc3c(SCCn4cccn4)ncnc3s2)cc1 c1ccc(cc1)[*:1] c1cnn(c1)CCSc1ncnc2sc(cc12)[*:1]
c1ccc(-c2cc3c(SCCn4cccn4)ncnc3s2)cc1 c1cnn(c1)C[*:1] c1ccc(cc1)-c1cc2c(ncnc2s1)SC[*:1]
Cc1ncn(C[C@@H](C)[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] Cc1ncn(C[C@@H](C)[NH2+][C@@H](CO)[*:1])c1C
Cc1ncn(C[C@@H](C)[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1C Cc1ncn(c1C)[*:1] C[C@H](C[*:1])[NH2+][C@@H](CO)c1ccc(Cl)cc1
O=C(Cc1cccc(F)c1F)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(Cc1cccc(F)c1F)N[*:1]
CNS(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1 CNS(=O)(=O)[*:1] COc1ccc(cc1)-c1ccc(cc1)[*:1]
C[NH+](CCCc1nc2ccccc2[nH]1)C1CCOCC1 C1CC(CCO1)[*:1] C[NH+](CCCc1nc2ccccc2[nH]1)[*:1]
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c1 N#Cc1cc(ccc1Cl)[*:1] COC(=O)c1ccc(C(=O)OC)c(c1)S(=O)(=O)N[*:1]
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c1 COC(=O)[*:1] COC(=O)c1ccc(cc1S(=O)(=O)Nc1ccc(Cl)c(C#N)c1)[*:1]
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c1 COC(=O)[*:1] COC(=O)c1ccc(c(c1)S(=O)(=O)Nc1ccc(Cl)c(C#N)c1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(N2CCSCC2)c([N+](=O)[O-])c1 C1CN(CCS1)[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCN(CC)S(=O)(=O)c1ccc(N2CCSCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCN(CC)S(=O)(=O)c1ccc(c(c1)[*:1])N1CCSCC1
CCC[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[NH2+]1 CCC[*:1] c1c[nH+]c(CN2CC[NH2+][C@@H](C2)[*:1])[nH]1
CCC[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[NH2+]1 c1c[nH+]c([nH]1)[*:1] CCC[C@@H]1CN(CC[NH2+]1)C[*:1]
Cc1cccc([C@H](N[C@@H](C)CC(F)(F)F)c2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)[C@H](N[C@@H](C)CC(F)(F)F)[*:1]
Cc1cccc([C@H](N[C@@H](C)CC(F)(F)F)c2ccccn2)c1 FC(F)(F)[*:1] Cc1cccc(c1)[C@H](N[C@@H](C)C[*:1])c1ccccn1
Cc1cccc([C@H](N[C@@H](C)CC(F)(F)F)c2ccccn2)c1 Cc1cccc(c1)[*:1] C[C@@H](CC(F)(F)F)N[C@H](c1ccccn1)[*:1]
Cc1cccc([C@H](N[C@@H](C)CC(F)(F)F)c2ccccn2)c1 FC(F)(F)C[*:1] Cc1cccc(c1)[C@H](N[C@@H](C)[*:1])c1ccccn1
Cc1nnc2n1CCC[C@H]2NC(=O)Nc1ccccc1OCC(C)C CC(C)CO[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)Nc1ccccc1[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)Nc1ccccc1OCC(C)C CC(C)[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)Nc1ccccc1OC[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)Nc1ccccc1OCC(C)C CC(C)C[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)Nc1ccccc1O[*:1]
CCc1nc2ccc(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)cc2nc1CC c1ccc2sc(nc2c1)[*:1] CCc1nc2ccc(cc2nc1CC)C(=O)N(C)[C@@H](C)[*:1]
CCC(=O)N(Cc1ccco1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCC(=O)N(Cc1ccco1)C[*:1]
CCC(=O)N(Cc1ccco1)C[C@@H]1CCCO1 c1coc(c1)[*:1] CCC(=O)N(C[C@@H]1CCCO1)C[*:1]
C[C@H](CO)[C@@H](C)NC(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] C[C@H](CO)[C@@H](C)NC(=O)Nc1ccc(Cl)c(c1)C[*:1]
C[C@H](CO)[C@@H](C)NC(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] C[C@H](CO)[C@@H](C)NC(=O)Nc1ccc(Cl)c(c1)[*:1]
C[C@H](CO)[C@@H](C)NC(=O)Nc1ccc(Cl)c(CS(C)(=O)=O)c1 C[C@H](CO)[*:1] C[C@@H](NC(=O)Nc1ccc(Cl)c(c1)CS(C)(=O)=O)[*:1]
CCC[NH2+][C@H](C[C@H]1CCCO1)c1cc(C)cc(F)c1 CCC[*:1] Cc1cc(F)cc(c1)[C@@H](C[C@H]1CCCO1)[NH2+][*:1]
CCC[NH2+][C@H](C[C@H]1CCCO1)c1cc(C)cc(F)c1 C1CO[C@H](C1)C[*:1] CCC[NH2+][C@H](c1cc(C)cc(F)c1)[*:1]
CCC[NH2+][C@H](C[C@H]1CCCO1)c1cc(C)cc(F)c1 C1CO[C@H](C1)[*:1] CCC[NH2+][C@H](C[*:1])c1cc(C)cc(F)c1
Cc1nc2ccccc2nc1SCC(=O)Nc1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] Cc1nc2ccccc2nc1SCC(=O)N[*:1]
C[C@@](CO)(NC(=O)Nc1cc(C(F)(F)F)ccc1F)C1CC1 FC(F)(F)[*:1] C[C@@](CO)(NC(=O)Nc1cc(ccc1F)[*:1])C1CC1
C[C@@](CO)(NC(=O)Nc1cc(C(F)(F)F)ccc1F)C1CC1 C1CC1[*:1] C[C@@](CO)(NC(=O)Nc1cc(ccc1F)C(F)(F)F)[*:1]
O=C(c1ccccc1)N1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 c1ccc(cc1)[*:1] O=C(c1cc(F)c(F)cc1Cl)N1CCN(CC1)C(=O)[*:1]
O=C(Nc1nc[nH]n1)c1ccc2[nH]cnc2c1 c1nc(n[nH]1)[*:1] O=C(N[*:1])c1ccc2[nH]cnc2c1
O=C(NCc1nc(-c2cccs2)no1)c1c[nH]c2nccc(Cl)c12 c1csc(c1)[*:1] O=C(NCc1nc(no1)[*:1])c1c[nH]c2nccc(Cl)c12
Cc1nc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2[N+](=O)[O-])sc1C Cc1nc(sc1C)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1ccc2OCOc2c1
Cc1nc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2[N+](=O)[O-])sc1C c1cc2OCOc2cc1[*:1] Cc1nc(Nc2ncnc(N[*:1])c2[N+](=O)[O-])sc1C
Cc1nc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2[N+](=O)[O-])sc1C O=[N+]([O-])[*:1] Cc1nc(Nc2ncnc(Nc3ccc4OCOc4c3)c2[*:1])sc1C
Cc1nc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2[N+](=O)[O-])sc1C Cc1nc(N[*:1])sc1C O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccc2OCOc2c1
O=C(CCC1CCCC1)N[C@H]1CCCCC[C@H]1C(=O)[O-] C1CCC(C1)[*:1] O=C(CC[*:1])N[C@H]1CCCCC[C@H]1C(=O)[O-]
O=C(CCC1CCCC1)N[C@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(CCC1CCCC1)N[C@H]1CCCCC[C@@H]1[*:1]
O=C(CCC1CCCC1)N[C@H]1CCCCC[C@H]1C(=O)[O-] C1CCC(C1)C[*:1] O=C(C[*:1])N[C@H]1CCCCC[C@H]1C(=O)[O-]
CSc1ccc(C(=O)Nc2nnc(CC(C)C)s2)cn1 CC(C)[*:1] CSc1ccc(cn1)C(=O)Nc1nnc(C[*:1])s1
CSc1ccc(C(=O)Nc2nnc(CC(C)C)s2)cn1 CC(C)C[*:1] CSc1ccc(cn1)C(=O)Nc1nnc(s1)[*:1]
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)N/N=C/c1ccc(o1)-c1cccc(c1)[*:1]
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)N/N=C/c1ccc(o1)[*:1]
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(N/N=C/c1ccc(o1)-c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
O=C(Cc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1cccc(c1)S(=O)(=O)N[*:1]
O=C(Cc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 c1coc(c1)[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1cccc(c1)S(=O)(=O)NC[*:1]
O=C(Cc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 c1ccc2c(c[nH]c2c1)[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)NCc1ccco1
NC(=O)Nc1ccc(CNC(=O)c2ccccc2-n2cccn2)cc1 c1cnn(c1)[*:1] NC(=O)Nc1ccc(cc1)CNC(=O)c1ccccc1[*:1]
NC(=O)Nc1ccc(CNC(=O)c2ccccc2-n2cccn2)cc1 NC(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccccc1-n1cccn1
CC(C)OC(=O)N1CCC(NC(=O)Cc2ccc(F)c(F)c2)CC1 CC(C)[*:1] O=C(Cc1ccc(F)c(F)c1)NC1CCN(CC1)C(=O)O[*:1]
CC(C)OC(=O)N1CCC(NC(=O)Cc2ccc(F)c(F)c2)CC1 Fc1ccc(cc1F)[*:1] CC(C)OC(=O)N1CCC(CC1)NC(=O)C[*:1]
CN1CCO[C@H](C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)C1 c1cnn(c1)[*:1] CN1CCO[C@@H](C1)C(=O)NCC(=O)Nc1ccc(cc1)[*:1]
CCn1nc(C)cc1C(=O)NCCOC COC[*:1] CCn1nc(C)cc1C(=O)NC[*:1]
CCn1nc(C)cc1C(=O)NCCOC COCC[*:1] CCn1nc(C)cc1C(=O)N[*:1]
CSc1ccc(CNC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 CSc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCN(C1=O)c1ccc(F)cc1
CSc1ccc(CNC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 Fc1ccc(cc1)[*:1] CSc1ccc(cc1)CNC(=O)[C@H]1CCN(C1=O)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N(C[C@H]2CCOC2)c2ccccc2)c1C c1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N(C[C@H]2CCOC2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N(C[C@H]2CCOC2)c2ccccc2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N(C[C@H]2CCOC2)c2ccccc2)c(C)c1[*:1]
Cc1cc(C(=O)CN2C[C@@H](C(N)=O)CC[C@@H]2C)c(C)n1CC(F)(F)F NC(=O)[*:1] Cc1cc(C(=O)CN2C[C@@H](CC[C@@H]2C)[*:1])c(C)n1CC(F)(F)F
Cc1cc(C(=O)CN2C[C@@H](C(N)=O)CC[C@@H]2C)c(C)n1CC(F)(F)F FC(F)(F)C[*:1] Cc1cc(C(=O)CN2C[C@H](CC[C@@H]2C)C(N)=O)c(C)n1[*:1]
Cc1cc(C(=O)CN2C[C@@H](C(N)=O)CC[C@@H]2C)c(C)n1CC(F)(F)F FC(F)(F)[*:1] Cc1cc(C(=O)CN2C[C@H](CC[C@@H]2C)C(N)=O)c(C)n1C[*:1]
N#CCc1nc2cc(C(F)(F)F)c(C#N)cc2s1 FC(F)(F)[*:1] N#CCc1nc2cc(c(C#N)cc2s1)[*:1]
N#CCc1nc2cc(C(F)(F)F)c(C#N)cc2s1 N#CC[*:1] N#Cc1cc2sc(nc2cc1C(F)(F)F)[*:1]
CC(C)(C)N1C[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1=O CC(C)(C)[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])N[C@@H](CC(F)(F)F)c1ccc(F)cc1
CC(C)(C)N1C[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1=O Fc1ccc(cc1)[*:1] CC(C)(C)N1C[C@H](CC1=O)NC(=O)N[C@@H](CC(F)(F)F)[*:1]
CC(C)(C)N1C[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1=O FC(F)(F)C[*:1] CC(C)(C)N1C[C@H](CC1=O)NC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(C)(C)N1C[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1=O FC(F)(F)[*:1] CC(C)(C)N1C[C@H](CC1=O)NC(=O)N[C@@H](C[*:1])c1ccc(F)cc1
CC(C)c1ccccc1NC(=O)Cn1cnc2c(cnn2C)c1=O CC(C)[*:1] Cn1ncc2c(=O)n(cnc21)CC(=O)Nc1ccccc1[*:1]
COCC1CCN(C(=O)CCOC2CCOCC2)CC1 COC[*:1] O=C(CCOC1CCOCC1)N1CCC(CC1)[*:1]
COCC1CCN(C(=O)CCOC2CCOCC2)CC1 C1CC(CCO1)[*:1] COCC1CCN(CC1)C(=O)CCO[*:1]
COc1ccc2[nH]cc(C(=O)[C@H](C)Br)c2c1 C[C@H](Br)C(=O)[*:1] COc1ccc2[nH]cc(c2c1)[*:1]
COc1ccc2[nH]cc(C(=O)[C@H](C)Br)c2c1 C[C@H](Br)[*:1] COc1ccc2[nH]cc(C(=O)[*:1])c2c1
CC[C@](C(=O)[O-])(C(=O)OC(C)(C)C)c1ccc(N)c(O)c1 O=C([O-])[*:1] CC[C@](C(=O)OC(C)(C)C)(c1ccc(N)c(O)c1)[*:1]
CC[C@](C(=O)[O-])(C(=O)OC(C)(C)C)c1ccc(N)c(O)c1 CC(C)(C)[*:1] CC[C@](C(=O)[O-])(C(=O)O[*:1])c1ccc(N)c(O)c1
CC[C@](C(=O)[O-])(C(=O)OC(C)(C)C)c1ccc(N)c(O)c1 CC(C)(C)OC(=O)[*:1] CC[C@](C(=O)[O-])(c1ccc(N)c(O)c1)[*:1]
CCN(C(=O)C(=O)c1c[nH]c2ccccc12)c1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CCN(C(=O)C(=O)c1c[nH]c2ccccc12)[*:1]
CCc1nncn1CCN[C@@H](C)c1cnc2cc(C)nn2c1C CCc1nncn1[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)NCC[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1ccc(nn1)N1CCC[C@H](C1)C(=O)NC[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1)-c1ccc(nn1)N1CCC[C@H](C1)C(=O)N[*:1]
COC(=O)[C@H](Sc1nc2ncccn2n1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](Sc1nc2ncccn2n1)[*:1]
COC(=O)[C@H](Sc1nc2ncccn2n1)c1ccccc1 COC(=O)[*:1] c1ccc(cc1)[C@@H](Sc1nc2ncccn2n1)[*:1]
O=C(CN1N[C@H](c2cccs2)OC1=O)NCCC1=c2ccccc2=[NH+]C1 c1csc(c1)[*:1] O=C(CN1N[C@H](OC1=O)[*:1])NCCC1C[NH+]=c2ccccc2=1
O=C(Nc1ccccc1)C1CC[NH+](Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1nc2sc(cc2c(=O)[nH]1)-c1ccccc1
O=C(Nc1ccccc1)C1CC[NH+](Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1)C1CC[NH+](CC1)Cc1nc2sc(cc2c(=O)[nH]1)[*:1]
O=C(Nc1ccccc1)C1CC[NH+](Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1 O=C(Nc1ccccc1)[*:1] O=c1[nH]c(C[NH+]2CCC(CC2)[*:1])nc2sc(cc12)-c1ccccc1
C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)c1cc2cc(ccc2oc1=O)[N+](=O)[O-])[*:1]
C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCCO1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1cc2cc(ccc2oc1=O)[*:1])[C@H]1CCCO1
C[C@@H](C(=O)N(C)c1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O c1ccc(cc1)[*:1] C[C@@H](C(=O)N(C)[*:1])N1C(=O)[C@@H]2CCCC[C@H]2C1=O
Cc1ccc(NC(=O)C[NH+](C)Cc2cccs2)cc1Cl c1csc(c1)C[*:1] Cc1ccc(cc1Cl)NC(=O)C[NH+](C)[*:1]
Cc1ccc(NC(=O)C[NH+](C)Cc2cccs2)cc1Cl c1csc(c1)[*:1] Cc1ccc(cc1Cl)NC(=O)C[NH+](C)C[*:1]
CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC(C(F)(F)F)CC1 CCNC(=O)NC(=O)[*:1] FC(F)(F)C1CCN(CC1)[C@H](c1ccccc1)[*:1]
CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC(C(F)(F)F)CC1 FC(F)(F)[*:1] CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC(CC1)[*:1]
CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC(C(F)(F)F)CC1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)[C@@H](N1CCC(CC1)C(F)(F)F)[*:1]
Cc1cccc(NC(=O)CSCC(=O)Nc2ccccc2C#N)c1 Cc1cccc(c1)[*:1] N#Cc1ccccc1NC(=O)CSCC(=O)N[*:1]
Cc1cccc(NC(=O)CSCC(=O)Nc2ccccc2C#N)c1 N#Cc1ccccc1[*:1] Cc1cccc(c1)NC(=O)CSCC(=O)N[*:1]
Cc1nc(N2CCCC2)c(C#N)c2c1COC(C)(C)C2 C1CCN(C1)[*:1] Cc1nc(c(C#N)c2CC(C)(C)OCc12)[*:1]
CN(Cc1ccco1)C(=O)c1cc2sccc2n1CCc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccco1)C(=O)c1cc2sccc2n1CC[*:1]
CN(Cc1ccco1)C(=O)c1cc2sccc2n1CCc1ccccc1 c1coc(c1)C[*:1] CN(C(=O)c1cc2sccc2n1CCc1ccccc1)[*:1]
CN(Cc1ccco1)C(=O)c1cc2sccc2n1CCc1ccccc1 c1coc(c1)[*:1] CN(C[*:1])C(=O)c1cc2sccc2n1CCc1ccccc1
CN(Cc1ccco1)C(=O)c1cc2sccc2n1CCc1ccccc1 c1ccc(cc1)CC[*:1] CN(Cc1ccco1)C(=O)c1cc2sccc2n1[*:1]
CN(Cc1ccco1)C(=O)c1cc2sccc2n1CCc1ccccc1 c1ccc(cc1)C[*:1] CN(Cc1ccco1)C(=O)c1cc2sccc2n1C[*:1]
O=C(O[C@@H]1CCSC1)c1cccnc1Cl C1C[C@H](CS1)[*:1] O=C(O[*:1])c1cccnc1Cl
Cc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)c(Br)c2)cc1 C1CO[C@H](C1)CO[*:1] Cc1ccc(cc1)NC(=O)c1ccc(c(Br)c1)[*:1]
Cc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)c(Br)c2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(OC[C@H]2CCCO2)c(Br)c1
C[C@H](C1CC1)N(C)C(=O)NCCc1ccc(S(C)(=O)=O)cc1 C1CC1[*:1] C[C@H](N(C)C(=O)NCCc1ccc(cc1)S(C)(=O)=O)[*:1]
C[C@H](C1CC1)N(C)C(=O)NCCc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](C1CC1)N(C)C(=O)NCCc1ccc(cc1)[*:1]
O=C(N[C@H]1C=C[C@@H](C(=O)[O-])C1)C1CCOCC1 O=C([O-])[*:1] O=C(N[C@H]1C=C[C@@H](C1)[*:1])C1CCOCC1
CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] CC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 CC(=O)[*:1] CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 CC(C)(C)C(=O)N[*:1] CC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
COc1cccc(OC)c1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] COc1cccc(OC)c1C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(Oc2ncccn2)ccc1NC(=O)Cc1ccc(F)c(F)c1 c1cnc(nc1)O[*:1] Cc1cc(ccc1NC(=O)Cc1ccc(F)c(F)c1)[*:1]
Cc1cc(Oc2ncccn2)ccc1NC(=O)Cc1ccc(F)c(F)c1 c1cnc(nc1)[*:1] Cc1cc(ccc1NC(=O)Cc1ccc(F)c(F)c1)O[*:1]
Cc1cc(Oc2ncccn2)ccc1NC(=O)Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] Cc1cc(ccc1NC(=O)C[*:1])Oc1ncccn1
CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)c3ccncc3)CCO2)nc2ccccc12 c1cc(ccn1)[*:1] CC(C)NC(=O)c1cc(nc2ccccc12)[C@@H]1CN(CCO1)C(=O)[*:1]
CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)c3ccncc3)CCO2)nc2ccccc12 CC(C)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)[C@@H]1CN(CCO1)C(=O)c1ccncc1
CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)c3ccncc3)CCO2)nc2ccccc12 CC(C)NC(=O)[*:1] O=C(c1ccncc1)N1CCO[C@@H](C1)c1cc(c2ccccc2n1)[*:1]
N#Cc1ccc(NCc2cccc(OCC(F)F)n2)c(F)c1 FC(F)C[*:1] N#Cc1ccc(NCc2cccc(n2)O[*:1])c(F)c1
N#Cc1ccc(NCc2cccc(OCC(F)F)n2)c(F)c1 FC(F)[*:1] N#Cc1ccc(NCc2cccc(n2)OC[*:1])c(F)c1
N#Cc1ccc(NCc2cccc(OCC(F)F)n2)c(F)c1 FC(F)CO[*:1] N#Cc1ccc(NCc2cccc(n2)[*:1])c(F)c1
CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(=O)[nH]c2ccc(F)cc12 CCC[*:1] CN1CCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc23)[C@H](C[*:1])C1=O
CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(=O)[nH]c2ccc(F)cc12 CCCC[*:1] CN1CCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc23)[C@@H](C1=O)[*:1]
Cn1c(=O)c2c(nc(C[NH+]3CCN(CCO)CC3)n2Cc2ccccc2Cl)n(C)c1=O Clc1ccccc1C[*:1] Cn1c(=O)c2c(nc(C[NH+]3CCN(CCO)CC3)n2[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(C[NH+]3CCN(CCO)CC3)n2Cc2ccccc2Cl)n(C)c1=O Clc1ccccc1[*:1] Cn1c(=O)c2c(nc(C[NH+]3CCN(CCO)CC3)n2C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(C[NH+]3CCN(CCO)CC3)n2Cc2ccccc2Cl)n(C)c1=O OCC[*:1] Cn1c(=O)c2c(nc(C[NH+]3CCN(CC3)[*:1])n2Cc2ccccc2Cl)n(C)c1=O
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cccc(C#N)c1 Clc1ccc(cc1Cl)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)Cc1cccc(C#N)c1
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)C[*:1]
CCN(C[C@H]1CCOC1)C(=O)c1ccc([O-])nn1 C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)c1ccc([O-])nn1
CCN(C[C@H]1CCOC1)C(=O)c1ccc([O-])nn1 C1C[C@@H](CO1)C[*:1] CCN(C(=O)c1ccc([O-])nn1)[*:1]
COC(C)(C)CNC(=O)c1ccc(NC(=O)C(C)C)cc1 COC(C)(C)C[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
COC(C)(C)CNC(=O)c1ccc(NC(=O)C(C)C)cc1 COC(C)(C)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
COC(C)(C)CNC(=O)c1ccc(NC(=O)C(C)C)cc1 CC(C)[*:1] COC(C)(C)CNC(=O)c1ccc(cc1)NC(=O)[*:1]
COC(C)(C)CNC(=O)c1ccc(NC(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] COC(C)(C)CNC(=O)c1ccc(cc1)[*:1]
CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(C(=O)C2CCCC2)C1 C1CCC(C1)[*:1] CS(=O)(=O)c1cnc(nc1[C@@H]1CCCN(C1)C(=O)[*:1])-c1ccncc1
CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(C(=O)C2CCCC2)C1 CS(=O)(=O)[*:1] O=C(C1CCCC1)N1CCC[C@H](C1)c1nc(ncc1[*:1])-c1ccncc1
CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(C(=O)C2CCCC2)C1 c1cc(ccn1)[*:1] CS(=O)(=O)c1cnc(nc1[C@@H]1CCCN(C1)C(=O)C1CCCC1)[*:1]
CCN[C@@H](Cc1ccccc1)C1([NH+](C)C)CCCCCC1 c1ccc(cc1)[*:1] CCN[C@@H](C[*:1])C1(CCCCCC1)[NH+](C)C
CCN[C@@H](Cc1ccccc1)C1([NH+](C)C)CCCCCC1 c1ccc(cc1)C[*:1] CCN[C@@H](C1(CCCCCC1)[NH+](C)C)[*:1]
CCN[C@@H](Cc1ccccc1)C1([NH+](C)C)CCCCCC1 CCN[*:1] C[NH+](C)C1(CCCCCC1)[C@H](Cc1ccccc1)[*:1]
Cc1ccc2c(c1)[C@H](CC(=O)N(C)Cc1ccno1)C(=O)N2 c1cc(C[*:1])on1 Cc1ccc2NC(=O)[C@@H](CC(=O)N(C)[*:1])c2c1
Cc1ccc2c(c1)[C@H](CC(=O)N(C)Cc1ccno1)C(=O)N2 c1cc(on1)[*:1] Cc1ccc2NC(=O)[C@@H](CC(=O)N(C)C[*:1])c2c1
Cc1nc(-n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)[nH]c(=O)c1C Cc1nc([nH]c(=O)c1C)[*:1] O=C(Nc1cc(nn1[*:1])C1CC1)C12CC3CC(CC(C3)C1)C2
Cc1nc(-n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)[nH]c(=O)c1C C1CC1[*:1] Cc1nc([nH]c(=O)c1C)-n1nc(cc1NC(=O)C12CC3CC(CC(C3)C1)C2)[*:1]
Cc1ccc([N+](=O)[O-])c(N[C@H](c2ccccc2)c2ccccn2)c1 c1ccc(nc1)[*:1] Cc1ccc(c(c1)N[C@H](c1ccccc1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N[C@H](c2ccccc2)c2ccccn2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N[C@H](c1ccccc1)c1ccccn1)[*:1]
Cc1ccc([N+](=O)[O-])c(N[C@H](c2ccccc2)c2ccccn2)c1 c1ccc(cc1)[*:1] Cc1ccc(c(c1)N[C@H](c1ccccn1)[*:1])[N+](=O)[O-]
CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(COC(C)C)c2)cc1 CC(=O)[*:1] CC(C)OCc1cccc(c1)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(COC(C)C)c2)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)[N-]S(=O)(=O)c1cccc(c1)CO[*:1]
CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(COC(C)C)c2)cc1 CC(C)O[*:1] CC(=O)c1ccc(cc1)[N-]S(=O)(=O)c1cccc(c1)C[*:1]
CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(COC(C)C)c2)cc1 CC(C)OC[*:1] CC(=O)c1ccc(cc1)[N-]S(=O)(=O)c1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 CC(=O)[*:1] CS(=O)(=O)N(CC(=O)Nc1cccc(c1)[*:1])c1ccc(I)cc1
CC(=O)c1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 Ic1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)CN(S(C)(=O)=O)[*:1]
CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cc(=O)c2ccccc2[nH]1 c1ccc(cc1)[*:1] CN(Cc1cc(no1)[*:1])C(=O)c1cc(=O)c2ccccc2[nH]1
CC(C)[NH2+][C@]1(CO)CCC[C@@H](O[C@@H]2CCC[C@H](C)C2)C1 CC(C)[*:1] C[C@H]1CCC[C@H](C1)O[C@@H]1CCC[C@](CO)(C1)[NH2+][*:1]
COc1ccccc1N1CC[NH+](Cc2nnnn2CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] COc1ccccc1N1CC[NH+](CC1)Cc1nnnn1[*:1]
COc1ccccc1N1CC[NH+](Cc2nnnn2CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccccc1N1CC[NH+](CC1)Cc1nnnn1C[*:1]
COc1ccccc1N1CC[NH+](Cc2nnnn2CCc2ccccc2)CC1 COc1ccccc1[*:1] c1ccc(cc1)CCn1nnnc1C[NH+]1CCN(CC1)[*:1]
COc1ccccc1N1CC[NH+](Cc2nnnn2CCc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1N1CC[NH+](CC1)Cc1nnnn1CC[*:1]
CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccc(C)cc2)=NO1 FC(F)(F)[*:1] CCC(=O)N(Cc1ccc(cc1)[*:1])C[C@H]1CC(=NO1)c1ccc(C)cc1
CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccc(C)cc2)=NO1 Cc1ccc(cc1)[*:1] CCC(=O)N(Cc1ccc(cc1)C(F)(F)F)C[C@H]1CC(=NO1)[*:1]
CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccc(cc1)[*:1]
CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 CCO[*:1] O=C([O-])c1ccc(cc1)COc1c(Cl)cc(/C=N/O)cc1[*:1]
CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ON=C[*:1] CCOc1cc(cc(Cl)c1OCc1ccc(cc1)C(=O)[O-])[*:1]
CC(=O)c1cc2ncc(C(=O)NCc3ccncc3)cc2[nH]1 c1cc(ccn1)C[*:1] CC(=O)c1cc2ncc(cc2[nH]1)C(=O)N[*:1]
CC(=O)c1cc2ncc(C(=O)NCc3ccncc3)cc2[nH]1 c1cc(ccn1)[*:1] CC(=O)c1cc2ncc(cc2[nH]1)C(=O)NC[*:1]
CC(=O)c1cc2ncc(C(=O)NCc3ccncc3)cc2[nH]1 CC(=O)[*:1] O=C(NCc1ccncc1)c1cnc2cc([nH]c2c1)[*:1]
C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(C1=O)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccccc1 O=C1CCCN1[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)C[*:1])c1ccccc1
CC(C)[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccccc1 CC(C)[*:1] O=C1CCCN1Cc1ccc(cc1)C[NH2+][C@@H](c1ccccc1)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)CN1CCCC1=O)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccccc1 O=C1CCCN1C[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1
CCOc1ccc(C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 CCO[*:1] Cc1ccc2cc(/C=N/NC(=O)c3ccc(cc3)[*:1])c(Cl)nc2c1
Cc1ccc(OCC(=O)N[C@](C)(C#N)C2CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)OCC(=O)N[C@](C)(C#N)[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)NC[C@H](C)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@H](c1cccnc1)N(C)C(=O)NC[C@H](C)[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)NC[C@H](C)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](c1cccnc1)N(C)C(=O)NC[C@H](C)N(C)[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)NC[C@H](C)N(C)c1ccccc1 c1cncc(c1)[*:1] C[C@@H](CNC(=O)N(C)[C@H](C)[*:1])N(C)c1ccccc1
C[C@@H](c1cccnc1)N(C)C(=O)NC[C@H](C)N(C)c1ccccc1 C[C@@H](c1cccnc1)[*:1] C[C@@H](CNC(=O)N(C)[*:1])N(C)c1ccccc1
CCOc1ccc(NC(=O)c2cc(C(C)C)[nH]n2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])NC(=O)c1cc([nH]n1)C(C)C
CCOc1ccc(NC(=O)c2cc(C(C)C)[nH]n2)cc1OC CC(C)[*:1] CCOc1ccc(cc1OC)NC(=O)c1cc([nH]n1)[*:1]
Oc1cccc(-c2noc(C[C@@H]3CCCCO3)n2)c1 C1CC[C@H](OC1)[*:1] Oc1cccc(c1)-c1noc(C[*:1])n1
Cc1ccc(NC(=O)[C@H](C)OC(=O)CSc2ccc3c(c2)OCCO3)cc1F Cc1ccc(cc1F)[*:1] C[C@H](OC(=O)CSc1ccc2OCCOc2c1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccccc3OC)cs2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1NC(=O)c1csc(n1)NS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccccc3OC)cs2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)C(=O)N[*:1]
Cc1nc([C@H](NC(=O)CC2(O)CCCC2)c2ccccc2F)no1 OC1(CCCC1)C[*:1] Cc1nc(no1)[C@H](NC(=O)[*:1])c1ccccc1F
Cc1nc([C@H](NC(=O)CC2(O)CCCC2)c2ccccc2F)no1 Cc1nc(no1)[*:1] O=C(CC1(O)CCCC1)N[C@H](c1ccccc1F)[*:1]
Cc1nc([C@H](NC(=O)CC2(O)CCCC2)c2ccccc2F)no1 Fc1ccccc1[*:1] Cc1nc(no1)[C@H](NC(=O)CC1(O)CCCC1)[*:1]
Cc1nc([C@H](NC(=O)CC2(O)CCCC2)c2ccccc2F)no1 OC1(CCCC1)[*:1] Cc1nc(no1)[C@H](NC(=O)C[*:1])c1ccccc1F
N#C/C(=C\c1ccc(I)o1)C(=O)Nc1ccc(F)cc1 Ic1ccc(o1)[*:1] N#CC(=C[*:1])C(=O)Nc1ccc(F)cc1
CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 c1nnc(s1)[*:1] CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(S[*:1])c(Cl)c1
CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 CCO[*:1] O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)[C@H]1C[C@@H]1[*:1]
CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 c1nnc(S[*:1])s1 CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(c(Cl)c1)[*:1]
COc1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(C(=O)N[C@@H]2CC(=O)N(C2)C[*:1])c(c1)OC
COc1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(OC)c1 c1ccc(cc1)C[*:1] COc1ccc(C(=O)N[C@@H]2CC(=O)N(C2)[*:1])c(c1)OC
Brc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)s1 Brc1ccc(s1)[*:1] c1csc(c1)-c1n[nH]cc1C[NH2+]C[*:1]
Brc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)s1 c1csc(c1)[*:1] Brc1ccc(C[NH2+]Cc2c[nH]nc2[*:1])s1
O=C(NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1F O=C([O-])[*:1] O=C(NC(=S)Nc1ccc(Cl)c(c1)[*:1])c1ccccc1F
O=C(NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1F Fc1ccccc1[*:1] O=C([O-])c1cc(ccc1Cl)NC(=S)NC(=O)[*:1]
Cc1ccc(N[C@](C)(C(=O)[O-])c2cc(F)cc(F)c2)cc1 Cc1ccc(cc1)[*:1] C[C@@](N[*:1])(C(=O)[O-])c1cc(F)cc(F)c1
Cc1ccc(N[C@](C)(C(=O)[O-])c2cc(F)cc(F)c2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)N[C@](C)(c1cc(F)cc(F)c1)[*:1]
O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1CCC1 C1CC(C1)[*:1] O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)[*:1]
COc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3ccccc3n2)cc1OC N#Cc1cccc(c1)[*:1] COc1ccc(cc1OC)-c1cc(C(=O)N[*:1])c2ccccc2n1
COc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3ccccc3n2)cc1OC COc1ccc(cc1OC)[*:1] N#Cc1cccc(c1)NC(=O)c1cc(nc2ccccc12)[*:1]
CC(C)COc1nc(NC[C@@H]2CN(C)CCO2)ccc1N CC(C)[*:1] CN1CCO[C@H](CNc2ccc(N)c(n2)OC[*:1])C1
CC(C)COc1nc(NC[C@@H]2CN(C)CCO2)ccc1N CC(C)CO[*:1] CN1CCO[C@H](CNc2ccc(N)c(n2)[*:1])C1
CC(C)COc1nc(NC[C@@H]2CN(C)CCO2)ccc1N CN1CCO[C@@H](C1)[*:1] CC(C)COc1nc(ccc1N)NC[*:1]
CC(C)COc1nc(NC[C@@H]2CN(C)CCO2)ccc1N CC(C)C[*:1] CN1CCO[C@H](CNc2ccc(N)c(n2)O[*:1])C1
C#CCCN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] C#CCCN1CCN(CC1)C(=O)[C@@H]1CCCC[C@@H]1[*:1]
C#CCCN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1 C#CCC[*:1] O=C([C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)[*:1])N1CCCC1
C#CCCN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1 C#CC[*:1] O=C([C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)C[*:1])N1CCCC1
CC(C)=CC(=O)Nc1ccc(I)cc1 CC(C)=C[*:1] O=C(Nc1ccc(I)cc1)[*:1]
CCN(Cc1ccccc1)C(=O)[C@@H](C)S(=O)(=O)CC(F)(F)F FC(F)(F)C[*:1] CCN(Cc1ccccc1)C(=O)[C@@H](C)S(=O)(=O)[*:1]
CCN(Cc1ccccc1)C(=O)[C@@H](C)S(=O)(=O)CC(F)(F)F c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)[C@@H](C)S(=O)(=O)CC(F)(F)F
CCN(Cc1ccccc1)C(=O)[C@@H](C)S(=O)(=O)CC(F)(F)F c1ccc(cc1)C[*:1] CCN(C(=O)[C@@H](C)S(=O)(=O)CC(F)(F)F)[*:1]
CCN(Cc1ccccc1)C(=O)[C@@H](C)S(=O)(=O)CC(F)(F)F FC(F)(F)[*:1] CCN(Cc1ccccc1)C(=O)[C@@H](C)S(=O)(=O)C[*:1]
CCCC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 CCCC(=O)N[*:1] O=C(Nc1ccccn1)c1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 CCC[*:1] O=C(Nc1ccccn1)c1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 c1ccc(nc1)[*:1] CCCC(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cc(O)ccc3[N+](=O)[O-])C2)nc1 O=[N+]([O-])[*:1] Cc1ccc(nc1)NC(=O)[C@H]1CCCN(Cc2cc(O)ccc2[*:1])C1
Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cc(O)ccc3[N+](=O)[O-])C2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])[C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1
CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2N=CN=N2)cc1 CC(C)(C)[*:1] O=S(=O)(N[C@H]1N=CN=N1)c1ccc(cc1)[*:1]
CCSc1cncc(NCc2scnc2C)n1 CCS[*:1] Cc1ncsc1CNc1cncc(n1)[*:1]
O=C1CCCC[C@@H]1Sc1nnc(-c2ccco2)o1 c1coc(c1)[*:1] O=C1CCCC[C@@H]1Sc1nnc(o1)[*:1]
Cc1csc(=O)n1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 Cc1csc(=O)n1[*:1] N#C[C@H]1CN(CCN1Cc1ccccc1)C(=O)CC[*:1]
Cc1csc(=O)n1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 c1ccc(cc1)[*:1] Cc1csc(=O)n1CCC(=O)N1CCN(C[*:1])[C@@H](C#N)C1
Cc1csc(=O)n1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 Cc1csc(=O)n1C[*:1] N#C[C@H]1CN(CCN1Cc1ccccc1)C(=O)C[*:1]
Cc1csc(=O)n1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 c1ccc(cc1)C[*:1] Cc1csc(=O)n1CCC(=O)N1CCN([C@@H](C#N)C1)[*:1]
CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cccnc2Cl)cs1 CC(C)(C)C(=O)N[*:1] O=C(Cc1csc(n1)[*:1])Nc1cccnc1Cl
CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cccnc2Cl)cs1 Clc1ncccc1[*:1] CC(C)(C)C(=O)Nc1nc(cs1)CC(=O)N[*:1]
CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cccnc2Cl)cs1 CC(C)(C)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])Nc1cccnc1Cl
O=S(=O)(Cc1ccon1)N[C@@H]1C[C@H]2CCCc3cccc1c32 c1cc(no1)[*:1] O=S(=O)(C[*:1])N[C@@H]1C[C@H]2CCCc3cccc1c32
O=S(=O)(Cc1ccon1)N[C@@H]1C[C@H]2CCCc3cccc1c32 c1cc(C[*:1])no1 O=S(=O)(N[C@@H]1C[C@H]2CCCc3cccc1c32)[*:1]
CCc1cnc(NC(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)s1 CCc1cnc(s1)[*:1] COc1cccc(c1)[C@H]1C[C@@H]1C(=O)N[*:1]
COc1csc(C(=O)NCc2ccnc(OC(C)(C)C)c2)c1 COc1csc(c1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)[*:1]
COc1csc(C(=O)NCc2ccnc(OC(C)(C)C)c2)c1 CC(C)(C)[*:1] COc1csc(c1)C(=O)NCc1ccnc(c1)O[*:1]
COc1csc(C(=O)NCc2ccnc(OC(C)(C)C)c2)c1 CC(C)(C)O[*:1] COc1csc(c1)C(=O)NCc1ccnc(c1)[*:1]
NC(=O)NCCc1c[nH]c2ccccc12 NC(=O)N[*:1] c1ccc2c(c[nH]c2c1)CC[*:1]
NC(=O)NCCc1c[nH]c2ccccc12 NC(=O)NC[*:1] c1ccc2c(c[nH]c2c1)C[*:1]
CC(=O)c1ccc(Oc2ccc(C#N)c(F)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(Oc2ccc(C#N)c(F)c2)c(c1)[*:1]
CC(=O)c1ccc(Oc2ccc(C#N)c(F)c2)c([N+](=O)[O-])c1 CC(=O)[*:1] N#Cc1ccc(cc1F)Oc1ccc(cc1[N+](=O)[O-])[*:1]
N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@@H]1c1ccco1 c1coc(c1)[*:1] N#CC1=C(NC(=O)C[C@H]1[*:1])SCC(=O)Nc1ccc(F)cc1
N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@@H]1c1ccco1 Fc1ccc(cc1)[*:1] N#CC1=C(NC(=O)C[C@@H]1c1ccco1)SCC(=O)N[*:1]
C/C(=C/C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)c1ccccc1Cl Clc1ccccc1[*:1] CC(=CC(=O)N[C@H](C)c1ccc(cc1)NC(N)=O)[*:1]
C/C(=C/C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1)c1ccccc1Cl NC(=O)N[*:1] C/C(=C/C(=O)N[C@H](C)c1ccc(cc1)[*:1])c1ccccc1Cl
O=C(Nc1ccc(-n2nnn(CC(=O)N3CCOCC3)c2=O)cc1)c1ccsc1 O=C(N[*:1])c1ccsc1 O=C(Cn1nnn(-c2ccc(cc2)[*:1])c1=O)N1CCOCC1
O=C(Nc1ccc(-n2nnn(CC(=O)N3CCOCC3)c2=O)cc1)c1ccsc1 c1cc(cs1)[*:1] O=C(Cn1nnn(-c2ccc(cc2)NC(=O)[*:1])c1=O)N1CCOCC1
O=C(Nc1ccc(-n2nnn(CC(=O)N3CCOCC3)c2=O)cc1)c1ccsc1 O=C(C[*:1])N1CCOCC1 O=C(Nc1ccc(cc1)-n1nnn(c1=O)[*:1])c1ccsc1
O=C(Nc1ccc(-n2nnn(CC(=O)N3CCOCC3)c2=O)cc1)c1ccsc1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)-n1nnn(C[*:1])c1=O)c1ccsc1
Cc1ncc(C(=O)N2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c(=O)[nH]1 Cc1ncc(c(=O)[nH]1)[*:1] O=C(N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1)[*:1]
CCOCCNC(=O)N(C[C@H]1C[C@@H]1C)C(C)C CC(C)[*:1] CCOCCNC(=O)N(C[C@H]1C[C@@H]1C)[*:1]
CCOCCNC(=O)N(C[C@H]1C[C@@H]1C)C(C)C CCO[*:1] CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NCC[*:1]
CCOCCNC(=O)N(C[C@H]1C[C@@H]1C)C(C)C C[C@H]1C[C@@H]1C[*:1] CCOCCNC(=O)N(C(C)C)[*:1]
CCOCCNC(=O)N(C[C@H]1C[C@@H]1C)C(C)C CCOCC[*:1] CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[*:1]
CCOCCNC(=O)N(C[C@H]1C[C@@H]1C)C(C)C CCOC[*:1] CC(C)N(C[C@H]1C[C@@H]1C)C(=O)NC[*:1]
CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 CCC[*:1] O=C(O[*:1])[C@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)c1ccc(Cl)cc1)O2
CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 CCCOC(=O)[*:1] O=C1[C@@H]2[C@H]([C@H]3C=C[C@]2(CN1c1ccc(Cl)cc1)O3)[*:1]
CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 Clc1ccc(cc1)[*:1] CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)[*:1])O2
Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N2 O=[N+]([O-])[*:1] Cc1cc2NC(=O)[C@H](CC(=O)Nc3cccc(c3)[*:1])Nc2cc1C
Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H](O)Cc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)NC[C@H](O)C[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H](O)Cc2ccccc2)c1C c1ccc(cc1)C[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)NC[C@H](O)[*:1]
CCOc1nc(-n2cnc3ccccc32)ccc1N CCO[*:1] Nc1ccc(nc1[*:1])-n1cnc2ccccc21
Cc1ccc(N[C@]2(C(N)=O)CCCCC2(C)C)cc1 NC(=O)[*:1] Cc1ccc(cc1)N[C@@]1(CCCCC1(C)C)[*:1]
COC[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1)c1ccc(F)c(F)c1 COC[*:1] Fc1ccc(cc1F)[C@H]([NH2+][C@H]1CCN(C1)c1ccccc1)[*:1]
COC[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1)c1ccc(F)c(F)c1 c1ccc(cc1)[*:1] COC[C@@H]([NH2+][C@H]1CCN(C1)[*:1])c1ccc(F)c(F)c1
COC[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H]([NH2+][C@H]1CCN(C1)c1ccccc1)[*:1]
c1ccc(OCc2nnc(SCc3cccnc3)o2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)CSc1nnc(CO[*:1])o1
c1ccc(OCc2nnc(SCc3cccnc3)o2)cc1 c1cncc(c1)C[*:1] c1ccc(cc1)OCc1nnc(o1)S[*:1]
c1ccc(OCc2nnc(SCc3cccnc3)o2)cc1 c1ccc(cc1)O[*:1] c1cncc(c1)CSc1nnc(C[*:1])o1
c1ccc(OCc2nnc(SCc3cccnc3)o2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)OCc1nnc(o1)SC[*:1]
CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2cc(C)c3cccc(C)c3n2)cc1 CC(=O)N[*:1] Cc1cc(nc2c(C)cccc12)S[C@H](C)C(=O)c1ccc(cc1)[*:1]
C=CCn1c(=O)oc(=O)c2cnc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] C=CCn1c(=O)oc(=O)c2cnc(nc21)[*:1]
C=CCn1c(=O)oc(=O)c2cnc(-c3ccccc3)nc21 C=CC[*:1] O=c1oc(=O)n(c2nc(ncc12)-c1ccccc1)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 CS(=O)(=O)[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(CC1)C[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 CS(=O)(=O)C[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(CC1)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 CC(C)[*:1] C[C@@H]1CC[C@@H]([C@@H](C1)[NH2+]CC1(CC1)CS(C)(=O)=O)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)[C@@H](C)CCc2ccccc2F)cc1C Fc1ccccc1C[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)[C@@H](C)C[*:1]
CC(=O)Nc1c(C)cc(NC(=O)[C@@H](C)CCc2ccccc2F)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)[C@@H](C)CCc1ccccc1F
CC(=O)Nc1c(C)cc(NC(=O)[C@@H](C)CCc2ccccc2F)cc1C Fc1ccccc1[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)[C@@H](C)CC[*:1]
Cc1ccccc1[C@@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 O=C(N[*:1])c1ccccc1 Cc1ccccc1[C@@H](C#N)NC(=O)C[C@@H](c1ccccc1)[*:1]
Cc1ccccc1[C@@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1[C@@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccccc1)[*:1]
Cc1ccccc1[C@@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 Cc1ccccc1[*:1] N#C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)[*:1]
Cc1ccccc1[C@@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1[C@@H](C#N)NC(=O)C[C@@H](NC(=O)[*:1])c1ccccc1
Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)Cn1cccn1 c1cnn(c1)[*:1] Cc1cc(ccc1NC(=O)C[*:1])C(=O)NC1CCCCC1
Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)Cn1cccn1 c1cnn(c1)C[*:1] Cc1cc(ccc1NC(=O)[*:1])C(=O)NC1CCCCC1
Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)Cn1cccn1 C1CCC(CC1)[*:1] Cc1cc(ccc1NC(=O)Cn1cccn1)C(=O)N[*:1]
Cc1nc(C2CC[NH+](Cc3c(Cl)nc4ccccn34)CC2)no1 Cc1nc(no1)[*:1] Clc1nc2ccccn2c1C[NH+]1CCC(CC1)[*:1]
C=CCN(C(=O)CCOC1CCOCC1)c1ccccc1 C1CC(CCO1)[*:1] C=CCN(C(=O)CCO[*:1])c1ccccc1
C=CCN(C(=O)CCOC1CCOCC1)c1ccccc1 C1CC(CCO1)O[*:1] C=CCN(C(=O)CC[*:1])c1ccccc1
C=CCN(C(=O)CCOC1CCOCC1)c1ccccc1 C=CC[*:1] O=C(CCOC1CCOCC1)N(c1ccccc1)[*:1]
C=CCN(C(=O)CCOC1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)CCOC1CCOCC1)[*:1]
CC(C)(C)OC(=O)Nc1ccc(SCC(=O)[O-])cc1 CC(C)(C)[*:1] O=C([O-])CSc1ccc(cc1)NC(=O)O[*:1]
CC(C)(C)OC(=O)Nc1ccc(SCC(=O)[O-])cc1 O=C([O-])CS[*:1] CC(C)(C)OC(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)Nc1ccc(SCC(=O)[O-])cc1 O=C([O-])C[*:1] CC(C)(C)OC(=O)Nc1ccc(cc1)S[*:1]
CC(C)(C)OC(=O)Nc1ccc(SCC(=O)[O-])cc1 O=C([O-])[*:1] CC(C)(C)OC(=O)Nc1ccc(cc1)SC[*:1]
Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCCC2)c1 O=c1cc(C[*:1])[nH]c(=O)[nH]1 Cc1ccc(C)c(c1)-n1c(nnc1[*:1])SCC(=O)NC1CCCCC1
Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1ccc(C)c(c1)-n1c(Cc2cc(=O)[nH]c(=O)[nH]2)nnc1SCC(=O)N[*:1]
Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCCC2)c1 O=c1cc([nH]c(=O)[nH]1)[*:1] Cc1ccc(C)c(c1)-n1c(C[*:1])nnc1SCC(=O)NC1CCCCC1
Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCCC2)c1 O=C(NC1CCCCC1)[*:1] Cc1ccc(C)c(c1)-n1c(Cc2cc(=O)[nH]c(=O)[nH]2)nnc1SC[*:1]
Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCCC2)c1 O=C(C[*:1])NC1CCCCC1 Cc1ccc(C)c(c1)-n1c(Cc2cc(=O)[nH]c(=O)[nH]2)nnc1S[*:1]
Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCCC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1[*:1])NC1CCCCC1
Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCCC2)c1 O=C(CS[*:1])NC1CCCCC1 Cc1ccc(C)c(c1)-n1c(Cc2cc(=O)[nH]c(=O)[nH]2)nnc1[*:1]
COC(=O)c1ccsc1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 COC(=O)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)Nc1sccc1[*:1]
O=C(c1cn(CCN2CCOCC2)nn1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 C1CN(CCO1)C[*:1] O=C(c1cn(C[*:1])nn1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1
O=C(c1cn(CCN2CCOCC2)nn1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 Fc1ccc2nc([nH]c2c1)[*:1] O=C(c1cn(CCN2CCOCC2)nn1)N1CCCC[C@H]1[*:1]
O=C(c1cn(CCN2CCOCC2)nn1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 C1CN(CCO1)CC[*:1] O=C(c1cn(nn1)[*:1])N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1
O=C(c1cn(CCN2CCOCC2)nn1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 C1CN(CCO1)[*:1] O=C(c1cn(CC[*:1])nn1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1
Cc1oc(-c2ccccc2)nc1CC(=O)N1CC[C@]2(CN(C)C(=O)O2)C1 c1ccc(cc1)[*:1] Cc1oc(nc1CC(=O)N1CC[C@]2(CN(C)C(=O)O2)C1)[*:1]
C=CCCOC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 C=CCC[*:1] O=C(O[*:1])[C@@H]1CCCN(C1)C(=O)c1ccncc1
C=CCCOC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 C=CC[*:1] O=C(OC[*:1])[C@@H]1CCCN(C1)C(=O)c1ccncc1
C=CCCOC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 C=CCCOC(=O)[*:1] O=C(c1ccncc1)N1CCC[C@H](C1)[*:1]
C=CCCOC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 c1cc(ccn1)[*:1] C=CCCOC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COC(=O)c1ccc(COc2ccccc2Cc2ccccc2)o1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(COc2ccccc2[*:1])o1
COC(=O)c1ccc(COc2ccccc2Cc2ccccc2)o1 c1ccc(cc1)[*:1] COC(=O)c1ccc(COc2ccccc2C[*:1])o1
COC(=O)c1ccc(COc2ccccc2Cc2ccccc2)o1 COC(=O)[*:1] c1ccc(cc1)Cc1ccccc1OCc1ccc(o1)[*:1]
CC(C)C[NH2+]Cc1cc(Br)cnc1N1C[C@H](C)[C@@H](C)C1 CC(C)C[*:1] C[C@H]1CN(C[C@@H]1C)c1ncc(Br)cc1C[NH2+][*:1]
CC(C)C[NH2+]Cc1cc(Br)cnc1N1C[C@H](C)[C@@H](C)C1 CC(C)[*:1] C[C@H]1CN(C[C@@H]1C)c1ncc(Br)cc1C[NH2+]C[*:1]
C[C@@H]1CCN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)C1CCN(CC1)C(=O)OC[*:1]
C[C@@H]1CCN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1O c1ccc(cc1)C[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)C1CCN(CC1)C(=O)O[*:1]
O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCC(CCN2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(c1n[nH]c2-c3ccccc3CCc12)N1CCC(CC1)CC[*:1]
O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCC(CCN2CCOCC2)CC1 C1CN(CCO1)C[*:1] O=C(c1n[nH]c2-c3ccccc3CCc12)N1CCC(CC1)C[*:1]
O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCC(CCN2CCOCC2)CC1 C1CN(CCO1)CC[*:1] O=C(c1n[nH]c2-c3ccccc3CCc12)N1CCC(CC1)[*:1]
Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cccc1[N+](=O)[O-] c1ccc2cc(ccc2c1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cccc1[N+](=O)[O-] Cc1c(cccc1[*:1])[N+](=O)[O-] O=C(N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)[*:1]
Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
C=CC[C@H]([NH2+]CC1(CO)CCOCC1)c1ccccc1F Fc1ccccc1[*:1] C=CC[C@H]([NH2+]CC1(CO)CCOCC1)[*:1]
C=CC[C@H]([NH2+]CC1(CO)CCOCC1)c1ccccc1F C=CC[*:1] OCC1(CCOCC1)C[NH2+][C@H](c1ccccc1F)[*:1]
COC(=O)N[C@@H](C(=O)N1CCc2cc(F)ccc2C1)C(C)C COC(=O)N[*:1] CC(C)[C@H](C(=O)N1CCc2cc(F)ccc2C1)[*:1]
COC(=O)N[C@@H](C(=O)N1CCc2cc(F)ccc2C1)C(C)C CC(C)[*:1] COC(=O)N[C@@H](C(=O)N1CCc2cc(F)ccc2C1)[*:1]
Cc1cc(NC(=O)NC(=O)c2csnn2)no1 c1snnc1[*:1] Cc1cc(no1)NC(=O)NC(=O)[*:1]
O=C(CCNC(=O)Nc1ccccc1)NCc1nnc2ccccn12 c1ccc(cc1)[*:1] O=C(CCNC(=O)N[*:1])NCc1nnc2ccccn12
C[C@@H]1CCC[C@@H](NC(=O)C[C@H]2OC(=O)c3ccccc32)C1 C[C@@H]1CCC[C@@H](C1)[*:1] O=C(C[C@H]1OC(=O)c2ccccc21)N[*:1]
CN(C)c1nn(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c(=S)s1 C1CO[C@@H](C1)C[*:1] CN(C)c1nn(CN(Cc2cccc(F)c2)[*:1])c(=S)s1
CN(C)c1nn(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c(=S)s1 Fc1cccc(c1)[*:1] CN(C)c1nn(CN(C[C@@H]2CCCO2)C[*:1])c(=S)s1
CN(C)c1nn(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c(=S)s1 C1CO[C@@H](C1)[*:1] CN(C)c1nn(CN(Cc2cccc(F)c2)C[*:1])c(=S)s1
CN(C)c1nn(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c(=S)s1 Fc1cccc(c1)C[*:1] CN(C)c1nn(CN(C[C@@H]2CCCO2)[*:1])c(=S)s1
CN(C)c1nn(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c(=S)s1 CN(C)[*:1] Fc1cccc(c1)CN(C[C@@H]1CCCO1)Cn1nc(sc1=S)[*:1]
O=C(Nc1nc(-c2ccn(S(=O)(=O)c3ccccc3)c2)cs1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccn(c1)S(=O)(=O)c1ccccc1)[*:1]
O=C(Nc1nc(-c2ccn(S(=O)(=O)c3ccccc3)c2)cs1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccn(c1)S(=O)(=O)[*:1])c1ccc(Cl)cc1
COc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 COc1cccc(c1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)N1CCC[C@H]1[*:1]
COc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 CC(C)(C)[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)[C@H]1CCN(C1)C(=O)O[*:1]
Cc1cc(C(=O)COC(=O)c2ccc(I)cc2)c(C)n1C[C@H]1CCCO1 Ic1ccc(cc1)[*:1] Cc1cc(C(=O)COC(=O)[*:1])c(C)n1C[C@H]1CCCO1
Cc1cc(C(=O)COC(=O)c2ccc(I)cc2)c(C)n1C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1cc(C(=O)COC(=O)c2ccc(I)cc2)c(C)n1[*:1]
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] N#C/C(=C\c1cccc2ccccc12)C(=O)N[*:1]
CC(C)n1ncnc1CSc1cc(Cl)ccc1N CC(C)[*:1] Nc1ccc(Cl)cc1SCc1ncnn1[*:1]
O=C(NCC[NH+]1CCC(CO)CC1)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCC[NH+]1CCC(CO)CC1)Nc1ccc(cc1)[*:1]
CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)NC2CC=CC2)c1 CC[C@@H](C)[*:1] O=C(Nc1cccc(c1)CS(=O)(=O)N[*:1])NC1CC=CC1
NC(=O)c1cc(NC(=O)N[C@H]2CC=CCC2)ccc1F NC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])N[C@H]1CC=CCC1
COc1cccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CN1C(=O)CN=C(c2cc(Br)ccc21)[*:1]
COc1cccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)c1 COc1cccc(c1)[*:1] O=C(CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21)N[*:1]
Cc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] C1CN(CCO1)C[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NC(=S)Nc1ccc(cc1)CN1CCOCC1
Cc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] C1CN(CCO1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(cc1)C[*:1]
CC[C@H](C)NC(=O)[C@@H](C)N1CCN(C(=O)C2CCCC2)CC1 CC[C@H](C)NC(=O)[*:1] C[C@@H](N1CCN(CC1)C(=O)C1CCCC1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)N1CCN(C(=O)C2CCCC2)CC1 CC[C@H](C)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)C1CCCC1
CC[C@H](C)NC(=O)[C@@H](C)N1CCN(C(=O)C2CCCC2)CC1 C1CCC(C1)[*:1] CC[C@H](C)NC(=O)[C@@H](C)N1CCN(CC1)C(=O)[*:1]
O=C(Nc1cccc(-n2cnnn2)c1)c1cccc2[nH]ccc12 c1nnnn1[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc2[nH]ccc12
CCOC(=O)c1nc(CN2CC[NH+](Cc3ccccc3)C(C)(C)C2)cs1 c1ccc(cc1)C[*:1] CCOC(=O)c1nc(cs1)CN1CC[NH+](C(C)(C)C1)[*:1]
CCOC(=O)c1nc(CN2CC[NH+](Cc3ccccc3)C(C)(C)C2)cs1 c1ccc(cc1)[*:1] CCOC(=O)c1nc(cs1)CN1CC[NH+](C[*:1])C(C)(C)C1
CCOC(=O)c1nc(CN2CC[NH+](Cc3ccccc3)C(C)(C)C2)cs1 CCOC(=O)[*:1] CC1(C)CN(CC[NH+]1Cc1ccccc1)Cc1csc(n1)[*:1]
CN(C)/C=N\C(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] CN(C)/C=N\C(=O)NN(C)c1ncc(cc1Cl)[*:1]
COc1cccc(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)S(=O)(=O)C=C[*:1]
COc1cccc(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
COc1cccc(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 C(=C[*:1])c1ccccc1 COc1cccc(c1)CC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1cccc(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 COc1cccc(c1)C[*:1] O=C(N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CC[*:1]
Cc1c(COC(C)C)cccc1NC(=O)c1ccc2c(c1)COCO2 CC(C)OC[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc2OCOCc2c1
Cc1c(COC(C)C)cccc1NC(=O)c1ccc2c(c1)COCO2 CC(C)[*:1] Cc1c(cccc1NC(=O)c1ccc2OCOCc2c1)CO[*:1]
Cc1c(COC(C)C)cccc1NC(=O)c1ccc2c(c1)COCO2 CC(C)O[*:1] Cc1c(cccc1NC(=O)c1ccc2OCOCc2c1)C[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(C)n(Cc2cccs2)c1C c1csc(c1)C[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(C)n(c1C)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(C)n(Cc2cccs2)c1C c1csc(c1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(C)n(C[*:1])c1C
Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(C)n(Cc2cccs2)c1C Cc1nn(C)cc1[*:1] Cc1cc(C(=O)N[C@H](C)[*:1])c(C)n1Cc1cccs1
C[NH+](C)Cc1cn(C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)nn1 Fc1ccc(cc1)[*:1] C[NH+](C)Cc1cn(nn1)C1CC[NH+](CC=C[*:1])CC1
C[C@H](c1ccccc1)c1[nH+]ccn1CCn1cccn1 c1cnn(c1)C[*:1] C[C@H](c1ccccc1)c1[nH+]ccn1C[*:1]
C[C@H](c1ccccc1)c1[nH+]ccn1CCn1cccn1 c1cnn(c1)[*:1] C[C@H](c1ccccc1)c1[nH+]ccn1CC[*:1]
C[C@H](c1ccccc1)c1[nH+]ccn1CCn1cccn1 c1ccc(cc1)[*:1] C[C@H](c1[nH+]ccn1CCn1cccn1)[*:1]
Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2nncn2C)CC3)cn1 Cc1cnc(cn1)C[*:1] Cn1cnnc1C[NH+]1CCC2(CCC(=O)N(C2)[*:1])CC1
Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2nncn2C)CC3)cn1 Cn1cnnc1C[*:1] Cc1cnc(cn1)CN1CC2(CCC1=O)CC[NH+](CC2)[*:1]
Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2nncn2C)CC3)cn1 Cn1cnnc1[*:1] Cc1cnc(cn1)CN1CC2(CCC1=O)CC[NH+](CC2)C[*:1]
Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2nncn2C)CC3)cn1 Cc1cnc(cn1)[*:1] Cn1cnnc1C[NH+]1CCC2(CCC(=O)N(C2)C[*:1])CC1
COC(=O)[C@H](C)[NH+](Cc1cnc2ccc(Cl)cn12)Cc1cnc2ccc(Cl)cn12 COC(=O)[*:1] C[C@H]([NH+](Cc1cnc2ccc(Cl)cn12)Cc1cnc2ccc(Cl)cn12)[*:1]
Cc1ccc2c(C)c(C(=O)N(Cc3ccncc3)C[C@H]3CCCO3)oc2c1C c1cc(ccn1)C[*:1] Cc1ccc2c(C)c(oc2c1C)C(=O)N(C[C@H]1CCCO1)[*:1]
Cc1ccc2c(C)c(C(=O)N(Cc3ccncc3)C[C@H]3CCCO3)oc2c1C c1cc(ccn1)[*:1] Cc1ccc2c(C)c(oc2c1C)C(=O)N(C[C@H]1CCCO1)C[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@@H]1CCc2ccccc2C1 C[C@H]1C[C@@H]1C(=O)N[*:1] O=C(N[C@@H]1CCc2ccccc2C1)c1cc(F)ccc1[*:1]
NC(=O)Cn1nnn(-c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1=O NC(=O)C[*:1] O=C(Nc1ccc(cc1)-n1nnn(c1=O)[*:1])Nc1ccc(Cl)c(Cl)c1
NC(=O)Cn1nnn(-c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1=O Clc1ccc(cc1Cl)[*:1] NC(=O)Cn1nnn(-c2ccc(cc2)NC(=O)N[*:1])c1=O
NC(=O)Cn1nnn(-c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1=O NC(=O)[*:1] O=C(Nc1ccc(cc1)-n1nnn(C[*:1])c1=O)Nc1ccc(Cl)c(Cl)c1
Cc1cc(NS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)sc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(NS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)sc1[*:1]
CCOc1ccc(C(=O)NCCc2csc(-n3cccn3)n2)cc1 c1cnn(c1)[*:1] CCOc1ccc(cc1)C(=O)NCCc1csc(n1)[*:1]
CCOc1ccc(C(=O)NCCc2csc(-n3cccn3)n2)cc1 CCO[*:1] O=C(NCCc1csc(n1)-n1cccn1)c1ccc(cc1)[*:1]
CCCN(Cc1cccnc1)C(=O)c1cc2ccccc2oc1=O CCC[*:1] O=C(c1cc2ccccc2oc1=O)N(Cc1cccnc1)[*:1]
CCCN(Cc1cccnc1)C(=O)c1cc2ccccc2oc1=O c1cncc(c1)[*:1] CCCN(C[*:1])C(=O)c1cc2ccccc2oc1=O
CCCN(Cc1cccnc1)C(=O)c1cc2ccccc2oc1=O c1cncc(c1)C[*:1] CCCN(C(=O)c1cc2ccccc2oc1=O)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c(Cl)c1 c1coc(c1)[*:1] Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)[*:1])c(Cl)c1
CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N(Cc2ccc(C(=O)Nc3ccc(F)cc3C)cc2)C1=O Cc1cc(F)ccc1[*:1] CC1C(=O)N(Cc2ccc(cc2)C(=O)N[*:1])S(=O)(=O)C=1c1ccc(C)c(C)c1
CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N(Cc2ccc(C(=O)Nc3ccc(F)cc3C)cc2)C1=O Cc1ccc(cc1C)[*:1] CC1C(=O)N(Cc2ccc(cc2)C(=O)Nc2ccc(F)cc2C)S(=O)(=O)C=1[*:1]
CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N(Cc2ccc(C(=O)Nc3ccc(F)cc3C)cc2)C1=O Cc1cc(F)ccc1NC(=O)[*:1] CC1C(=O)N(Cc2ccc(cc2)[*:1])S(=O)(=O)C=1c1ccc(C)c(C)c1
Cc1cccnc1NC(=O)Cn1nc(-c2ccccc2)oc1=O Cc1cccnc1[*:1] O=C(Cn1nc(oc1=O)-c1ccccc1)N[*:1]
Cc1cccnc1NC(=O)Cn1nc(-c2ccccc2)oc1=O c1ccc(cc1)[*:1] Cc1cccnc1NC(=O)Cn1nc(oc1=O)[*:1]
COCC[C@@H](C)C(=O)N1CCC(C(=O)NC(C)C)CC1 COCC[*:1] CC(C)NC(=O)C1CCN(CC1)C(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)N1CCC(C(=O)NC(C)C)CC1 COC[*:1] CC(C)NC(=O)C1CCN(CC1)C(=O)[C@H](C)C[*:1]
COCC[C@@H](C)C(=O)N1CCC(C(=O)NC(C)C)CC1 COCC[C@@H](C)[*:1] CC(C)NC(=O)C1CCN(CC1)C(=O)[*:1]
COCC[C@@H](C)C(=O)N1CCC(C(=O)NC(C)C)CC1 CC(C)[*:1] COCC[C@@H](C)C(=O)N1CCC(CC1)C(=O)N[*:1]
COCC[C@@H](C)C(=O)N1CCC(C(=O)NC(C)C)CC1 CC(C)NC(=O)[*:1] COCC[C@@H](C)C(=O)N1CCC(CC1)[*:1]
O=C1Nc2ccccc2[C@](O)(C(=O)NCCC2=CCCCC2)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1Nc2ccccc2[C@](O)(C(=O)NCCC2=CCCCC2)N1[*:1]
C[C@@H]1CC(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCC1CCN(CC1)C(=O)[*:1]
COc1ccc(C)cc1NC(=O)N(C)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] COc1ccc(C)cc1NC(=O)N(C)[C@H](C)[*:1]
O=C(NCCCN1C(=O)CNC1=O)N1CCc2cc(F)ccc2C1 O=C1CNC(=O)N1[*:1] O=C(NCCC[*:1])N1CCc2cc(F)ccc2C1
O=C(NCCCN1C(=O)CNC1=O)N1CCc2cc(F)ccc2C1 O=C1CNC(=O)N1C[*:1] O=C(NCC[*:1])N1CCc2cc(F)ccc2C1
COc1ccc(/C=C(\C(=O)c2cccs2)N2C=CC=CC2=C(C#N)C#N)cc1OC COc1ccc(cc1OC)[*:1] N#CC(C#N)=C1C=CC=CN1C(=C[*:1])C(=O)c1cccs1
COc1ccc(/C=C(\C(=O)c2cccs2)N2C=CC=CC2=C(C#N)C#N)cc1OC O=C(c1cccs1)[*:1] COc1ccc(/C=C(/N2C=CC=CC2=C(C#N)C#N)[*:1])cc1OC
COc1ccc(/C=C(\C(=O)c2cccs2)N2C=CC=CC2=C(C#N)C#N)cc1OC c1csc(c1)[*:1] COc1ccc(/C=C(\C(=O)[*:1])N2C=CC=CC2=C(C#N)C#N)cc1OC
COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1ccc(NC(C)=O)cc1)CC2 CC(=O)N[*:1] COc1cc2CCN([C@@H](C)c2cc1OC)S(=O)(=O)c1ccc(cc1)[*:1]
O=C(CN[C@H](C1CCCC1)C(F)(F)F)N1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(CN[C@H](C1CCCC1)C(F)(F)F)N1CCC[C@H](C1)[*:1]
O=C(CN[C@H](C1CCCC1)C(F)(F)F)N1CCC[C@H](C(F)(F)F)C1 C1CCC(C1)[*:1] O=C(CN[C@H](C(F)(F)F)[*:1])N1CCC[C@@H](C1)C(F)(F)F
O=C(CN[C@H](C1CCCC1)C(F)(F)F)N1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(CN[C@H](C1CCCC1)[*:1])N1CCC[C@@H](C1)C(F)(F)F
O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1ccncc1)Cc1cccnc1 c1cc(ccn1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1cccnc1)C[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1ccncc1)Cc1cccnc1 c1cncc(c1)C[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1ccncc1)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1ccncc1)Cc1cccnc1 c1cc(ccn1)C[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1cccnc1)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1ccncc1)Cc1cccnc1 c1cncc(c1)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)N(Cc1ccncc1)C[*:1]
CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCc1nnc2n1CCCC2 CC(C)[*:1] C[C@H](C(=O)NCc1nnc2CCCCn21)n1cc[nH+]c1[*:1]
Cc1cccc(NC(=O)Cn2ccc3cc(Br)ccc32)c1 Cc1cccc(c1)[*:1] O=C(Cn1ccc2cc(Br)ccc21)N[*:1]
O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2ccc(Cl)s2)cs1 Clc1ccc(s1)[*:1] O=C(Cn1c(=O)oc2ccccc21)Nc1nc(cs1)[*:1]
CC[NH+]1CCN(/C(S)=N\c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] CC[NH+]1CCN(CC1)/C(S)=N\c1ccc(cc1)[*:1]
CCC[C@H](C#N)[C@H](O)c1c(OC)cc(OC)cc1OC CCC[*:1] COc1cc(OC)c(c(c1)OC)[C@@H](O)[C@@H](C#N)[*:1]
COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)Nc2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)N[*:1]
COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)Nc2ccncc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccncc1)c1cc(Cl)cc(Cl)c1NC(=O)[*:1]
COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)Nc2ccncc2)cc1 O=C(Nc1ccncc1)[*:1] COc1ccc(cc1)C(=O)Nc1c(Cl)cc(Cl)cc1[*:1]
O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1N1CCCCCC1 O=S(=O)(c1ccccc1)[*:1] Fc1ccc2ncc(c(c2c1)N1CCCCCC1)[*:1]
O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1N1CCCCCC1 C1CCCN(CC1)[*:1] O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1[*:1]
O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1N1CCCCCC1 c1ccc(cc1)[*:1] O=S(=O)(c1cnc2ccc(F)cc2c1N1CCCCCC1)[*:1]
COc1ccc(-n2ncc(C(=O)OC3CCC3)c2C(F)(F)F)nn1 C1CC(C1)[*:1] COc1ccc(nn1)-n1ncc(C(=O)O[*:1])c1C(F)(F)F
COc1ccc(-n2ncc(C(=O)OC3CCC3)c2C(F)(F)F)nn1 FC(F)(F)[*:1] COc1ccc(nn1)-n1ncc(C(=O)OC2CCC2)c1[*:1]
COc1ccc(-n2ncc(C(=O)OC3CCC3)c2C(F)(F)F)nn1 COc1ccc(nn1)[*:1] O=C(OC1CCC1)c1cnn(c1C(F)(F)F)[*:1]
COc1ccc(-n2ncc(C(=O)OC3CCC3)c2C(F)(F)F)nn1 O=C(OC1CCC1)[*:1] COc1ccc(nn1)-n1ncc(c1C(F)(F)F)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl)c1ccc(Cl)cc1 Clc1ccccc1C[*:1] CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl)c1ccc(Cl)cc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccc(Cl)cc1)[*:1])N1CCC[C@@H]1Cc1ccccc1Cl
CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl)c1ccc(Cl)cc1 Clc1ccccc1[*:1] CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1C[*:1])c1ccc(Cl)cc1
CCOCc1ccccc1NC(=O)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 CCO[*:1] O=C(Nc1ccccc1C[*:1])C(=O)N[C@@H]1CCOc2c(Cl)cccc21
CCOCc1ccccc1NC(=O)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 CCOC[*:1] O=C(Nc1ccccc1[*:1])C(=O)N[C@@H]1CCOc2c(Cl)cccc21
C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccccc1 O=C(N1CCOCC1)[*:1] C[C@H](OC(=O)C1(CCCC1)C[*:1])C(=O)Nc1ccccc1
C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] C[C@H](OC(=O)C1(CCCC1)CC(=O)N1CCOCC1)[*:1]
C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccccc1 O=C(C[*:1])N1CCOCC1 C[C@H](OC(=O)C1(CCCC1)[*:1])C(=O)Nc1ccccc1
C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](OC(=O)C1(CCCC1)CC(=O)N1CCOCC1)C(=O)N[*:1]
Cc1ncc(/C=C/C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)s1 c1ccc(cc1)[*:1] Cc1ncc(/C=C/C(=O)N[C@@H](C)c2noc(C[*:1])n2)s1
Cc1ncc(/C=C/C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)s1 Cc1ncc(s1)[*:1] C[C@H](NC(=O)C=C[*:1])c1noc(Cc2ccccc2)n1
Cc1ncc(/C=C/C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)s1 Cc1ncc(C=C[*:1])s1 C[C@H](NC(=O)[*:1])c1noc(Cc2ccccc2)n1
Cc1ncc(/C=C/C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)s1 c1ccc(cc1)C[*:1] Cc1ncc(/C=C/C(=O)N[C@@H](C)c2noc(n2)[*:1])s1
COc1ccccc1CN(C)C(=O)C[S@@](=O)Cc1ccccc1F COc1ccccc1[*:1] CN(C[*:1])C(=O)C[S@@](=O)Cc1ccccc1F
COc1ccccc1CN(C)C(=O)C[S@@](=O)Cc1ccccc1F Fc1ccccc1[*:1] COc1ccccc1CN(C)C(=O)C[S@@](=O)C[*:1]
COc1ccccc1CN(C)C(=O)C[S@@](=O)Cc1ccccc1F Fc1ccccc1C[*:1] COc1ccccc1CN(C)C(=O)C[S@@](=O)[*:1]
CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C2=O CN(C)C(=O)[*:1] CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(cc1)[*:1])C2=O
Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccccc4[N+](=O)[O-])C3)nn2)n1 O=[N+]([O-])c1ccccc1[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccccc4[N+](=O)[O-])C3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccccc4[N+](=O)[O-])C3)nn2)n1 O=[N+]([O-])[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCC[C@H](C1)C(=O)Nc1ccccc1[*:1]
CN(C)C(=O)c1cccc(CSc2nnc3n2CCCCC3)c1 CN(C)C(=O)[*:1] c1cc(cc(c1)[*:1])CSc1nnc2CCCCCn21
Cc1occc1[C@@H]([NH3+])c1ccc(Cl)c2ccccc12 Cc1occc1[*:1] [NH3+][C@@H](c1ccc(Cl)c2ccccc12)[*:1]
O=C1NC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)N1 c1cc(cs1)[*:1] O=C1NC[C@@H](N1)C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
O=C1NC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)N1 Clc1ccc(cc1)[*:1] O=C1NC[C@@H](N1)C(=O)N[C@@H](c1ccsc1)[*:1]
CCN1CCN(C(=O)c2cc(-c3cccc(OC)c3)n3nc(C(C)(C)C)cc3n2)CC1 CCN1CCN(CC1)C(=O)[*:1] COc1cccc(c1)-c1cc(nc2cc(nn12)C(C)(C)C)[*:1]
CCN1CCN(C(=O)c2cc(-c3cccc(OC)c3)n3nc(C(C)(C)C)cc3n2)CC1 CC(C)(C)[*:1] CCN1CCN(CC1)C(=O)c1cc(-c2cccc(c2)OC)n2nc(cc2n1)[*:1]
CCN1CCN(C(=O)c2cc(-c3cccc(OC)c3)n3nc(C(C)(C)C)cc3n2)CC1 COc1cccc(c1)[*:1] CCN1CCN(CC1)C(=O)c1cc(n2nc(cc2n1)C(C)(C)C)[*:1]
Cc1cccc(C2([NH2+]CCC(=O)Nc3cc(C)on3)CCCC2)c1 Cc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)CC[NH2+]C1(CCCC1)[*:1]
Cc1cccc(C2([NH2+]CCC(=O)Nc3cc(C)on3)CCCC2)c1 Cc1cc(no1)[*:1] Cc1cccc(c1)C1(CCCC1)[NH2+]CCC(=O)N[*:1]
Cc1cnc(-c2cccc(NC(=O)C(=O)NCCCN3CCOCC3)c2)o1 C1CN(CCO1)C[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)C(=O)NCC[*:1]
Cc1cnc(-c2cccc(NC(=O)C(=O)NCCCN3CCOCC3)c2)o1 C(CN1CCOCC1)C[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)C(=O)N[*:1]
Cc1cnc(-c2cccc(NC(=O)C(=O)NCCCN3CCOCC3)c2)o1 C1CN(CCO1)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)C(=O)NCCC[*:1]
Cc1cnc(-c2cccc(NC(=O)C(=O)NCCCN3CCOCC3)c2)o1 Cc1cnc(o1)[*:1] O=C(NCCCN1CCOCC1)C(=O)Nc1cccc(c1)[*:1]
Cc1cnc(-c2cccc(NC(=O)C(=O)NCCCN3CCOCC3)c2)o1 C1CN(CCO1)CC[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)C(=O)NC[*:1]
C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCN2CCS(=O)(=O)CC2)o1 O=S1(=O)CCN(CC1)[*:1] C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCC[*:1])o1
COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)c1cccs1 O=C(N[*:1])c1cccs1 COC(=O)c1ccsc1NC(=O)c1ccsc1[*:1]
COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)c1cccs1 c1csc(c1)[*:1] COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[*:1]
COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)c1cccs1 COC(=O)[*:1] O=C(Nc1sccc1C(=O)Nc1sccc1[*:1])c1cccs1
O=C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CCN1CC[NH+]1CCCC1 c1ccc(cc1)[*:1] O=C1CCN(CCN1CC[NH+]1CCCC1)C(=O)Cc1ccc(cc1)[*:1]
COc1cc(C)c(SC[C@H](C)C(C)=O)cc1OC CC(=O)[C@@H](C)C[*:1] COc1cc(C)c(cc1OC)S[*:1]
COc1cc(C)c(SC[C@H](C)C(C)=O)cc1OC CC(=O)[C@@H](C)[*:1] COc1cc(C)c(cc1OC)SC[*:1]
COc1cc(C)c(SC[C@H](C)C(C)=O)cc1OC CC(=O)[*:1] COc1cc(C)c(cc1OC)SC[C@H](C)[*:1]
CC(=O)c1cccc(OC[C@@H](O)Cn2ccnc2-c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)OC[C@@H](O)Cn1ccnc1[*:1]
CC(=O)c1cccc(OC[C@@H](O)Cn2ccnc2-c2ccccc2)c1 CC(=O)[*:1] O[C@H](COc1cccc(c1)[*:1])Cn1ccnc1-c1ccccc1
O=C(Nc1nccs1)N[C@@H]1CCCc2ccccc21 c1csc(n1)[*:1] O=C(N[C@@H]1CCCc2ccccc21)N[*:1]
C[C@@H](c1ncc(C(C)(C)C)o1)[S@@](=O)Cc1nc(-c2cccs2)no1 CC(C)(C)[*:1] C[C@@H](c1ncc(o1)[*:1])[S@@](=O)Cc1nc(no1)-c1cccs1
C[C@@H](c1ncc(C(C)(C)C)o1)[S@@](=O)Cc1nc(-c2cccs2)no1 c1csc(c1)[*:1] C[C@@H](c1ncc(o1)C(C)(C)C)[S@@](=O)Cc1nc(no1)[*:1]
O=C(/C=C/c1cccc(Br)c1)NOCc1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1cccc(Br)c1)NOC[*:1]
C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccccc1F Fc1ccccc1[*:1] C[C@H]1CN(CC[C@@H]1[NH2+]C[*:1])C(=O)C1CC1
C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccccc1F C1CC1[*:1] C[C@H]1CN(CC[C@@H]1[NH2+]Cc1ccccc1F)C(=O)[*:1]
CC(=O)Nc1ccc(Nc2ncnc(Oc3cccc4ccc(C)nc34)c2[N+](=O)[O-])cc1 CC(=O)N[*:1] Cc1ccc2cccc(Oc3ncnc(Nc4ccc(cc4)[*:1])c3[N+](=O)[O-])c2n1
CC(=O)Nc1ccc(Nc2ncnc(Oc3cccc4ccc(C)nc34)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)Nc1ncnc(Oc2cccc3ccc(C)nc23)c1[*:1]
CC(=O)Nc1ccc(Nc2ncnc(Oc3cccc4ccc(C)nc34)c2[N+](=O)[O-])cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1ccc2cccc(Oc3ncnc(N[*:1])c3[N+](=O)[O-])c2n1
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@@H](C1)[*:1]
Cc1ccsc1CNCc1ccc([N+](=O)[O-])c(F)c1 Cc1ccsc1[*:1] O=[N+]([O-])c1ccc(cc1F)CNC[*:1]
Cc1ccsc1CNCc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] Cc1ccsc1CNCc1ccc(c(F)c1)[*:1]
C[NH+](C)Cc1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)NN1C(=O)N[C@](C)(C1=O)[*:1]
O=C1C(=O)N(C23CC4CC(CC(C4)C2)C3)C(=O)N1Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1C(=O)N(C(=O)N1C[*:1])C12CC3CC(CC(C3)C1)C2
O=C1C(=O)N(C23CC4CC(CC(C4)C2)C3)C(=O)N1Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C1C(=O)N(C(=O)N1C12CC3CC(CC(C3)C1)C2)[*:1]
O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)N1CCN(CC1)[*:1]
N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc3ncccc23)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)c1cccc2ncccc12
Cc1ccc(C)c(SCC(=O)NC2CCOCC2)c1 C1CC(CCO1)[*:1] Cc1ccc(C)c(c1)SCC(=O)N[*:1]
COC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2)nc1C Clc1ccc(cc1)[*:1] COC(=O)c1sc(nc1C)NC(=O)C=C[*:1]
COC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2)nc1C COC(=O)[*:1] Cc1nc(NC(=O)/C=C/c2ccc(Cl)cc2)sc1[*:1]
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@]2(C(=O)[O-])O1 O=C([O-])[*:1] CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@@]2(O1)[*:1]
COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)c1 COc1ccc(OC)c(c1)[*:1] O=C(c1cccs1)N1CCc2ccc(cc2C1)NS(=O)(=O)[*:1]
COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)c1 c1csc(c1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc2CCN(Cc2c1)C(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)[C@H](C#N)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)[C@H](C#N)C(=O)N[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)[C@H](C#N)C(=O)NC1CCCCC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)[C@H](C#N)C(=O)NC1CCCCC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)[C@H](C#N)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)[C@H](C#N)[*:1]
CCc1ccc(C(=O)/C=C\Sc2nnnn2C)cc1 Cn1nnnc1[*:1] CCc1ccc(cc1)C(=O)/C=C\S[*:1]
CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 CCCC[*:1] O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 CCC[*:1] O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 O=c1ccc(c[nH]1)[*:1] CCCCn1cc[nH+]c1[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(CC(=O)NC[C@](C)(O)c2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)CC(=O)NC[C@](C)(O)[*:1]
Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)n2C O=S(=O)(N1CCCC1)[*:1] Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(cc1)[*:1])n2C
Cc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)C[*:1])c2C(N)=O
Cc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 NC(=O)[*:1] Cc1ccc(cc1)CC(=O)Nc1sc2C[C@H](C)CCc2c1[*:1]
Cc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 Cc1ccc(cc1)C[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1ccc(O)cc1 c1ccc2c(c1)nnn2[*:1] Cc1ccccc1N(C(=O)C[*:1])[C@H](C(=O)NC1CCCCC1)c1ccc(O)cc1
Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1ccc(O)cc1 O=C(NC1CCCCC1)[*:1] Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](c1ccc(O)cc1)[*:1]
Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)[*:1]
Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1ccc(O)cc1 Cc1ccccc1[*:1] O=C(NC1CCCCC1)[C@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)[*:1]
Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1ccc(O)cc1 C1CCC(CC1)[*:1] Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)N[*:1])c1ccc(O)cc1
Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1ccc(O)cc1 c1ccc2c(c1)nnn2C[*:1] Cc1ccccc1N(C(=O)[*:1])[C@H](C(=O)NC1CCCCC1)c1ccc(O)cc1
CNC(=O)NCC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C CC(C)(C)[*:1] CNC(=O)NCC(=O)N[C@@H](COc1ccccc1F)[*:1]
CNC(=O)NCC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C Fc1ccccc1[*:1] CNC(=O)NCC(=O)N[C@@H](CO[*:1])C(C)(C)C
CNC(=O)NCC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C CNC(=O)N[*:1] CC(C)(C)[C@H](COc1ccccc1F)NC(=O)C[*:1]
CNC(=O)NCC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C CNC(=O)NC[*:1] CC(C)(C)[C@H](COc1ccccc1F)NC(=O)[*:1]
C=CCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 C=CC[*:1] O=C(C[*:1])NCc1ccc(cc1)S(=O)(=O)N1CCOCC1
C=CCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 C=CCCC(=O)N[*:1] O=S(=O)(c1ccc(cc1)C[*:1])N1CCOCC1
C=CCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 C=CCC[*:1] O=C(NCc1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
CC(C)c1cc(C(=O)NC[C@H](O)c2ccccn2)n(C)n1 c1ccc(nc1)[*:1] CC(C)c1cc(C(=O)NC[C@H](O)[*:1])n(C)n1
CC(C)c1cc(C(=O)NC[C@H](O)c2ccccn2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)NC[C@H](O)c1ccccn1)[*:1]
CCCn1nc(-c2ccc(Br)cc2)nc1C CCC[*:1] Cc1nc(nn1[*:1])-c1ccc(Br)cc1
CC[C@@H](CNC(=O)C[C@@H]1OC(=O)c2ccccc21)Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] CC[C@@H](CNC(=O)C[C@@H]1OC(=O)c2ccccc21)[*:1]
CC[C@@H](CNC(=O)C[C@@H]1OC(=O)c2ccccc21)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@@H](CNC(=O)C[C@@H]1OC(=O)c2ccccc21)O[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1Br FC(F)(F)[*:1] O=[N+]([O-])c1ccc(cc1Br)S(=O)(=O)[N-]c1cccc(n1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1Br O=[N+]([O-])[*:1] O=S(=O)([N-]c1cccc(n1)C(F)(F)F)c1ccc(c(Br)c1)[*:1]
CC(=O)c1sc(NC(=O)CSc2ccccc2C)nc1-c1ccccc1 CC(=O)[*:1] Cc1ccccc1SCC(=O)Nc1nc(-c2ccccc2)c(s1)[*:1]
CC(=O)c1sc(NC(=O)CSc2ccccc2C)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1sc(nc1[*:1])NC(=O)CSc1ccccc1C
CC(=O)c1sc(NC(=O)CSc2ccccc2C)nc1-c1ccccc1 Cc1ccccc1[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)CS[*:1]
CC(=O)c1sc(NC(=O)CSc2ccccc2C)nc1-c1ccccc1 Cc1ccccc1S[*:1] CC(=O)c1sc(nc1-c1ccccc1)NC(=O)C[*:1]
C#CCOc1ccc(/C=N/NC(=O)COC)cc1OC C#CCO[*:1] COCC(=O)N/N=C/c1ccc(c(c1)OC)[*:1]
C#CCOc1ccc(/C=N/NC(=O)COC)cc1OC COC[*:1] C#CCOc1ccc(/C=N/NC(=O)[*:1])cc1OC
C#CCOc1ccc(/C=N/NC(=O)COC)cc1OC C#CC[*:1] COCC(=O)N/N=C/c1ccc(O[*:1])c(c1)OC
Cc1nc(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)oc1C Cc1nc(oc1C)[*:1] C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CS[*:1]
Cc1nc(SCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)oc1C Cc1nc(oc1C)S[*:1] C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[*:1]
CCc1onc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C c1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)[C@@H](NC(=O)[*:1])C(C)C
CCc1onc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C CC(C)[*:1] CCc1onc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1)[*:1]
CCc1onc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C CCc1onc(C)c1[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
Cc1ncc(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2)s1 Cc1ncc(C[*:1])s1 O=C(N[C@@H](CO)c1ccc(Cl)cc1)N[*:1]
Cc1ncc(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1ncc(CNC(=O)N[C@@H](CO)[*:1])s1
Cc1ncc(CNC(=O)N[C@@H](CO)c2ccc(Cl)cc2)s1 Cc1ncc(s1)[*:1] O=C(NC[*:1])N[C@@H](CO)c1ccc(Cl)cc1
CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCC[C@@H](C)C3)n2)cc1 CCO[*:1] C[C@@H](C(=O)N1CCC[C@@H](C)C1)n1nc(ccc1=O)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCC[C@@H](C)C3)n2)cc1 C[C@@H]1CCCN(C1)C(=O)[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(n1)[C@@H](C)[*:1]
CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCC[C@@H](C)C3)n2)cc1 CCOc1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCC[C@@H](C)C1)n1nc(ccc1=O)[*:1]
CC(C)n1ccnc1[C@H](C)Br C[C@H](Br)[*:1] CC(C)n1ccnc1[*:1]
CC(C)n1ccnc1[C@H](C)Br CC(C)[*:1] C[C@H](Br)c1nccn1[*:1]
CCOc1cccc([C@@H](C)[NH2+][C@H](C)Cn2cnc(C)c2C)c1 Cc1ncn(c1C)[*:1] CCOc1cccc(c1)[C@@H](C)[NH2+][C@H](C)C[*:1]
CCOc1cccc([C@@H](C)[NH2+][C@H](C)Cn2cnc(C)c2C)c1 CCO[*:1] Cc1ncn(C[C@@H](C)[NH2+][C@H](C)c2cccc(c2)[*:1])c1C
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] Cc1cn(nc1NC(=O)C(C)(C)O[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 N#Cc1ccc(cc1)O[*:1] Cc1cn(nc1NC(=O)C(C)(C)[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[*:1]
Cc1ccc(Br)cc1S(=O)(=O)N(C)CC(N)=O NC(=O)C[*:1] Cc1ccc(Br)cc1S(=O)(=O)N(C)[*:1]
Cc1ccc(Br)cc1S(=O)(=O)N(C)CC(N)=O NC(=O)[*:1] Cc1ccc(Br)cc1S(=O)(=O)N(C)C[*:1]
CCn1cc(-c2c(-c3ccccc3)ncn2CCNC(=O)c2cccnc2)cn1 O=C(N[*:1])c1cccnc1 CCn1cc(cn1)-c1c(ncn1CC[*:1])-c1ccccc1
CCn1cc(-c2c(-c3ccccc3)ncn2CCNC(=O)c2cccnc2)cn1 CCn1cc(cn1)[*:1] O=C(NCCn1cnc(-c2ccccc2)c1[*:1])c1cccnc1
CCn1cc(-c2c(-c3ccccc3)ncn2CCNC(=O)c2cccnc2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)-c1c(ncn1CCNC(=O)c1cccnc1)[*:1]
CCn1cc(-c2c(-c3ccccc3)ncn2CCNC(=O)c2cccnc2)cn1 c1cncc(c1)[*:1] CCn1cc(cn1)-c1c(ncn1CCNC(=O)[*:1])-c1ccccc1
CCCNC(=O)c1ccc2ncn(C)c(=O)c2c1 CCC[*:1] Cn1cnc2ccc(cc2c1=O)C(=O)N[*:1]
CCCNC(=O)c1ccc2ncn(C)c(=O)c2c1 CCCNC(=O)[*:1] Cn1cnc2ccc(cc2c1=O)[*:1]
CC(C)[C@@H](C)NC(=O)NCc1ccc(CN2CCCC2=O)cc1 CC(C)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)CN1CCCC1=O)[*:1]
CC(C)[C@@H](C)NC(=O)NCc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] CC(C)[C@@H](C)NC(=O)NCc1ccc(cc1)[*:1]
CC(C)[C@@H](C)NC(=O)NCc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] CC(C)[C@@H](C)NC(=O)NCc1ccc(cc1)C[*:1]
CC(C)[C@@H](C)NC(=O)NCc1ccc(CN2CCCC2=O)cc1 CC(C)[C@@H](C)[*:1] O=C(NCc1ccc(cc1)CN1CCCC1=O)N[*:1]
CCCCN(C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCCN(C(=O)C1C[C@@H](c2ccccc2)N(N=1)[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(C1C[C@@H](c2ccccc2)N(N=1)c1ccccc1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(C1C[C@@H](c2ccccc2)N(N=1)c1ccccc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCCN(C(=O)C1C[C@@H](N(N=1)c1ccccc1)[*:1])[C@H]1CCS(=O)(=O)C1
CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2cc(F)ccc2C)CC3)n1CC CCS[*:1] CCn1c(nnc1[*:1])-c1nn(C)c2CCN(Cc12)S(=O)(=O)c1cc(F)ccc1C
CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2cc(F)ccc2C)CC3)n1CC Cc1ccc(F)cc1[*:1] CCSc1nnc(-c2nn(C)c3CCN(Cc23)S(=O)(=O)[*:1])n1CC
CCSc1nnc(-c2nn(C)c3c2CN(S(=O)(=O)c2cc(F)ccc2C)CC3)n1CC CCSc1nnc(n1CC)[*:1] Cc1ccc(F)cc1S(=O)(=O)N1CCc2c(C1)c(nn2C)[*:1]
Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)-c1csc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1[*:1]
Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CC1)c1c(csc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])[*:1]
Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1csc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1C(=O)N[*:1]
Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1csc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2[*:1])c1C(=O)NC1CC1
Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@H]1COCCO1 Cn1cccc1[*:1] O=C([C@H]1COCCO1)N1CCCCC[C@H]1[*:1]
Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@H]1COCCO1 C1CO[C@H](CO1)[*:1] Cn1cccc1[C@@H]1CCCCCN1C(=O)[*:1]
C[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)C(=O)NCc1ccco1 Fc1cc(F)cc(c1)[*:1] C[C@H](NC(=O)C(=O)N[*:1])C(=O)NCc1ccco1
C[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)C(=O)N[*:1]
C[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)C(=O)NC[*:1]
Cc1cc(N[C@H]2CCC[C@H](C(F)(F)F)C2)n2ncnc2n1 FC(F)(F)[*:1] Cc1cc(N[C@H]2CCC[C@H](C2)[*:1])n2ncnc2n1
CNc1c(C(=O)Nc2ncc(C)s2)cccc1C(F)(F)F FC(F)(F)[*:1] CNc1c(cccc1[*:1])C(=O)Nc1ncc(C)s1
CNc1c(C(=O)Nc2ncc(C)s2)cccc1C(F)(F)F Cc1cnc(s1)[*:1] CNc1c(cccc1C(F)(F)F)C(=O)N[*:1]
CC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3ccccc3)c2)(C(=O)NC2CC2)C1 CC(C)[*:1] O=C(NC1CC1)[C@@]1(Cc2cccc(c2)-c2ccccc2)CN(CCO1)C(=O)[*:1]
CC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3ccccc3)c2)(C(=O)NC2CC2)C1 C1CC1[*:1] CC(C)C(=O)N1CCO[C@](Cc2cccc(c2)-c2ccccc2)(C1)C(=O)N[*:1]
CC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3ccccc3)c2)(C(=O)NC2CC2)C1 O=C(NC1CC1)[*:1] CC(C)C(=O)N1CCO[C@@](Cc2cccc(c2)-c2ccccc2)(C1)[*:1]
CC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3ccccc3)c2)(C(=O)NC2CC2)C1 c1ccc(cc1)[*:1] CC(C)C(=O)N1CCO[C@](Cc2cccc(c2)[*:1])(C1)C(=O)NC1CC1
[NH3+][C@H]1COC[C@@H]1C(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])C[*:1] [NH3+][C@H]1COC[C@@H]1C(=O)NC1(CCC1)[*:1]
[NH3+][C@H]1COC[C@@H]1C(=O)NC1(CC(=O)[O-])CCC1 O=C([O-])[*:1] [NH3+][C@H]1COC[C@@H]1C(=O)NC1(CCC1)C[*:1]
Cc1cccn2cc(CNC(=O)c3cn(C)nc3C(C)(C)C)[nH+]c12 CC(C)(C)[*:1] Cc1cccn2cc(CNC(=O)c3cn(C)nc3[*:1])[nH+]c12
COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCCCC1 CC(=O)[*:1] COc1ccc(cc1C[C@@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCCCC1)[*:1]
COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCCCC1 Clc1ccc(cc1)[*:1] COc1ccc(cc1C[C@@H](C(=O)[*:1])[NH+]1CCCCC1)C(C)=O
COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCCCC1 O=C(c1ccc(Cl)cc1)[*:1] COc1ccc(cc1C[C@@H]([NH+]1CCCCC1)[*:1])C(C)=O
CSc1ccc(Cl)c(C(=O)N(C)CC(C)(C)O)c1 CC(C)(O)[*:1] CSc1ccc(Cl)c(c1)C(=O)N(C)C[*:1]
CSc1ccc(Cl)c(C(=O)N(C)CC(C)(C)O)c1 CC(C)(O)C[*:1] CSc1ccc(Cl)c(c1)C(=O)N(C)[*:1]
CCCS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 CCC[*:1] O=S(=O)(NC[C@H](c1ccc(Cl)cc1)n1cccn1)[*:1]
CCCS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 c1cnn(c1)[*:1] CCCS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[*:1]
CCCS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 Clc1ccc(cc1)[*:1] CCCS(=O)(=O)NC[C@H](n1cccn1)[*:1]
CCCS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 CCCS(=O)(=O)N[*:1] Clc1ccc(cc1)[C@@H](C[*:1])n1cccn1
Cc1nc(-c2cccs2)sc1-c1ccc(=O)n(CCNS(=O)(=O)c2cccnc2)n1 O=S(=O)(N[*:1])c1cccnc1 Cc1nc(sc1-c1ccc(=O)n(CC[*:1])n1)-c1cccs1
Cc1nc(-c2cccs2)sc1-c1ccc(=O)n(CCNS(=O)(=O)c2cccnc2)n1 c1cncc(c1)[*:1] Cc1nc(sc1-c1ccc(=O)n(CCNS(=O)(=O)[*:1])n1)-c1cccs1
Cc1nc(-c2cccs2)sc1-c1ccc(=O)n(CCNS(=O)(=O)c2cccnc2)n1 c1csc(c1)[*:1] Cc1nc(sc1-c1ccc(=O)n(CCNS(=O)(=O)c2cccnc2)n1)[*:1]
O=C(Nc1cccnc1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 c1cncc(c1)[*:1] O=C(N[*:1])[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1
O=C(Nc1cccnc1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 C1CN(CCO1)[*:1] O=C(Nc1cccnc1)[C@H](c1ccc(Cl)cc1Cl)[*:1]
O=C(Nc1cccnc1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 Clc1ccc(c(Cl)c1)[*:1] O=C(Nc1cccnc1)[C@H](N1CCOCC1)[*:1]
Cc1ccc(/N=C2\NC(=O)C[C@H](C(=O)Nc3ccc(C)cc3)S2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)/N=C1\NC(=O)C[C@@H](S1)C(=O)N[*:1]
Cc1ccc(/N=C2\NC(=O)C[C@H](C(=O)Nc3ccc(C)cc3)S2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H]1CC(=O)NC(=N[*:1])S1
O=C1CCN(C(=O)NC[C@@H](CCO)c2ccccc2)CCN1 OCC[*:1] O=C1CCN(CCN1)C(=O)NC[C@@H](c1ccccc1)[*:1]
O=C1CCN(C(=O)NC[C@@H](CCO)c2ccccc2)CCN1 c1ccc(cc1)[*:1] O=C1CCN(CCN1)C(=O)NC[C@@H](CCO)[*:1]
NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)CC2CCCCC2)C1 NC(=O)[*:1] O=C(CC1CCCCC1)N1CCC[C@@](Cc2cccc(c2)-c2cccnc2)(C1)[*:1]
NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)CC2CCCCC2)C1 c1cncc(c1)[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)CC1CCCCC1)Cc1cccc(c1)[*:1]
NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)CC2CCCCC2)C1 C1CCC(CC1)[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)C[*:1])Cc1cccc(c1)-c1cccnc1
NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)CC2CCCCC2)C1 C1CCC(CC1)C[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)[*:1])Cc1cccc(c1)-c1cccnc1
C=CCn1cnn(CN2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1=S O=S(=O)(N1CCCCC1)[*:1] C=CCn1cnn(CN2CCc3cc(ccc32)[*:1])c1=S
C=CCn1cnn(CN2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1=S C=CC[*:1] O=S(=O)(c1ccc2c(c1)CCN2Cn1ncn(c1=S)[*:1])N1CCCCC1
COc1ccc(Br)cc1/C=C1\Oc2c(ccc3c2CN(Cc2cccnc2)CO3)C1=O COc1ccc(Br)cc1[*:1] O=C1C(=C[*:1])Oc2c1ccc1OCN(Cc3cccnc3)Cc12
COc1ccc(Br)cc1/C=C1\Oc2c(ccc3c2CN(Cc2cccnc2)CO3)C1=O c1cncc(c1)[*:1] COc1ccc(Br)cc1/C=C1\Oc2c(ccc3OCN(Cc32)C[*:1])C1=O
COc1ccc(Br)cc1/C=C1\Oc2c(ccc3c2CN(Cc2cccnc2)CO3)C1=O c1cncc(c1)C[*:1] COc1ccc(Br)cc1/C=C1\Oc2c(ccc3OCN(Cc32)[*:1])C1=O
Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc(O)cc2)o1 Oc1ccc(cc1)S[*:1] Cc1onc(-c2ccccc2)c1-c1nnc(C[*:1])o1
Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc(O)cc2)o1 Oc1ccc(cc1)[*:1] Cc1onc(-c2ccccc2)c1-c1nnc(CS[*:1])o1
Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc(O)cc2)o1 c1ccc(cc1)[*:1] Cc1onc(c1-c1nnc(CSc2ccc(O)cc2)o1)[*:1]
CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCC3)c1 CCNC(=O)[*:1] Cc1ccc(cc1NS(=O)(=O)c1ccc2CCCc2c1)[*:1]
COc1ccc([C@@H](O)CNC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 N#Cc1ccccc1[*:1] COc1ccc(cc1)[C@@H](O)CNC(=O)[C@@H](C)O[*:1]
COc1ccc([C@@H](O)CNC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 COc1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)[*:1]
O=C(c1ccsc1)N1CCC[NH+](C2CCCCCC2)CC1 c1cc(cs1)[*:1] O=C(N1CCC[NH+](CC1)C1CCCCCC1)[*:1]
O=C(c1ccsc1)N1CCC[NH+](C2CCCCCC2)CC1 C1CCCC(CC1)[*:1] O=C(c1ccsc1)N1CCC[NH+](CC1)[*:1]
Cc1nc2ccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)cc2o1 CS(=O)(=O)[*:1] Cc1nc2ccc(cc2o1)NC(=O)c1cccc(c1)C[*:1]
Cc1nc2ccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)cc2o1 CS(=O)(=O)C[*:1] Cc1nc2ccc(cc2o1)NC(=O)c1cccc(c1)[*:1]
COc1cccc(-c2nc(-c3cccc(C)c3)no2)c1OC Cc1cccc(c1)[*:1] COc1cccc(-c2nc(no2)[*:1])c1OC
CCS(=O)(=O)NCCSc1nnnn1-c1cccc(C)c1C CCS(=O)(=O)N[*:1] Cc1cccc(c1C)-n1nnnc1SCC[*:1]
CCS(=O)(=O)NCCSc1nnnn1-c1cccc(C)c1C CCS(=O)(=O)NC[*:1] Cc1cccc(c1C)-n1nnnc1SC[*:1]
CC(C)c1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 CC(C)[*:1] O=C(Cc1cccc(c1)C(F)(F)F)Nc1ccccc1[*:1]
CC(C)c1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)c1ccccc1NC(=O)Cc1cccc(c1)[*:1]
COc1ccc(N2C[C@@H](c3nnc(NC(C)=O)s3)CC2=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(s1)[*:1]
CSC[C@@H](C)NC(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] CSC[C@@H](C)NC(=O)N1CCN(CC1)C(=O)C[*:1]
CSC[C@@H](C)NC(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 CSC[*:1] Cc1noc(C)c1CC(=O)N1CCN(CC1)C(=O)N[C@H](C)[*:1]
CSC[C@@H](C)NC(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 Cc1noc(C)c1C[*:1] CSC[C@@H](C)NC(=O)N1CCN(CC1)C(=O)[*:1]
NS(=O)(=O)N[C@H](CO)Cc1ccccc1 NS(=O)(=O)N[*:1] OC[C@H](Cc1ccccc1)[*:1]
CCC(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 c1csc(c1)[*:1] CCC(=O)N1CCC[C@@H](C1)c1nnc(o1)[*:1]
CC(=O)Nc1ccc(-c2cccc(C=O)c2)cc1 CC(=O)N[*:1] O=Cc1cccc(c1)-c1ccc(cc1)[*:1]
NC(=S)N/N=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 NS(=O)(=O)[*:1] NC(=S)N/N=C/c1ccc(o1)-c1ccc(cc1)[*:1]
NC(=S)N/N=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 NC(=S)NN=C[*:1] NS(=O)(=O)c1ccc(cc1)-c1ccc(o1)[*:1]
O=C(NCCNC(=O)N(Cc1ccccc1)C1CC1)C1CC1 C1CC1[*:1] O=C(NCCNC(=O)[*:1])N(Cc1ccccc1)C1CC1
O=C(NCCNC(=O)N(Cc1ccccc1)C1CC1)C1CC1 O=C(NC[*:1])C1CC1 O=C(NC[*:1])N(Cc1ccccc1)C1CC1
O=C(NCCNC(=O)N(Cc1ccccc1)C1CC1)C1CC1 c1ccc(cc1)[*:1] O=C(NCCNC(=O)N(C[*:1])C1CC1)C1CC1
O=C(NCCNC(=O)N(Cc1ccccc1)C1CC1)C1CC1 O=C(N[*:1])C1CC1 O=C(NCC[*:1])N(Cc1ccccc1)C1CC1
O=C(NCCNC(=O)N(Cc1ccccc1)C1CC1)C1CC1 C1CC1[*:1] O=C(NCCNC(=O)N(Cc1ccccc1)[*:1])C1CC1
O=C(NCCNC(=O)N(Cc1ccccc1)C1CC1)C1CC1 c1ccc(cc1)C[*:1] O=C(NCCNC(=O)N(C1CC1)[*:1])C1CC1
COc1ccc(C(=O)Nn2c(SCC(=O)N3CCC(C)CC3)nc3ccccc3c2=O)cc1 COc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)CSc1nc2ccccc2c(=O)n1NC(=O)[*:1]
COc1ccc(C(=O)Nn2c(SCC(=O)N3CCC(C)CC3)nc3ccccc3c2=O)cc1 CC1CCN(CC1)C(=O)CS[*:1] COc1ccc(cc1)C(=O)Nn1c(nc2ccccc2c1=O)[*:1]
COc1ccc(C(=O)Nn2c(SCC(=O)N3CCC(C)CC3)nc3ccccc3c2=O)cc1 CC1CCN(CC1)C(=O)[*:1] COc1ccc(cc1)C(=O)Nn1c(nc2ccccc2c1=O)SC[*:1]
COc1ccc(C(=O)Nn2c(SCC(=O)N3CCC(C)CC3)nc3ccccc3c2=O)cc1 CC1CCN(CC1)C(=O)C[*:1] COc1ccc(cc1)C(=O)Nn1c(nc2ccccc2c1=O)S[*:1]
O=C(Nc1cccc(-c2csc(NC(=O)c3ccccc3F)n2)c1)c1ccccc1F O=C(N[*:1])c1ccccc1F O=C(Nc1nc(cs1)-c1cccc(c1)[*:1])c1ccccc1F
O=C(Nc1cccc(-c2csc(NC(=O)c3ccccc3F)n2)c1)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1cccc(c1)-c1csc(n1)NC(=O)[*:1])c1ccccc1F
O=C(Nc1cccc(-c2csc(NC(=O)c3ccccc3F)n2)c1)c1ccccc1F O=C(N[*:1])c1ccccc1F O=C(Nc1cccc(c1)-c1csc(n1)[*:1])c1ccccc1F
O=C(Nc1cccc(-c2csc(NC(=O)c3ccccc3F)n2)c1)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1nc(cs1)-c1cccc(c1)NC(=O)[*:1])c1ccccc1F
O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccc(cc1)[*:1]
O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(CCC(=O)N[*:1])N/N=C/c1ccc(cc1)[N+](=O)[O-]
C[C@@H](NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21)C(=O)Nc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] C[C@@H](NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21)C(=O)N[*:1]
CS(=O)(=O)N1CCC[C@@H]1C(=O)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 c1cncc(c1)C[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)N(c1nc2ccc(Cl)cc2s1)[*:1]
CS(=O)(=O)N1CCC[C@@H]1C(=O)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 c1cncc(c1)[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)N(C[*:1])c1nc2ccc(Cl)cc2s1
C[C@H](C[NH2+]Cc1c[nH]nc1C(C)(C)C)Cn1cc[nH+]c1 CC(C)(C)[*:1] C[C@H](C[NH2+]Cc1c[nH]nc1[*:1])Cn1cc[nH+]c1
CC(=O)N[C@@H](C(=O)Oc1ccc(C)cc1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)Oc1ccc(C)cc1)[*:1]
CC(=O)N[C@@H](C(=O)Oc1ccc(C)cc1)C(C)C CC(=O)N[*:1] Cc1ccc(cc1)OC(=O)[C@@H](C(C)C)[*:1]
CO[C@@H](C)[C@@H](O)Cc1cc(Br)ccc1F CO[C@@H](C)[*:1] O[C@@H](Cc1cc(Br)ccc1F)[*:1]
CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CO)CN1Cc1ccc(C)s1 Cc1ccc(C[*:1])s1 CCN(CC)C(=O)[C@@H]1C[C@H](CN1[*:1])NC(=O)CO
CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CO)CN1Cc1ccc(C)s1 O=C(CO)N[*:1] CCN(CC)C(=O)[C@@H]1C[C@@H](CN1Cc1ccc(C)s1)[*:1]
CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CO)CN1Cc1ccc(C)s1 Cc1ccc(s1)[*:1] CCN(CC)C(=O)[C@@H]1C[C@H](CN1C[*:1])NC(=O)CO
CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CO)CN1Cc1ccc(C)s1 CCN(CC)C(=O)[*:1] Cc1ccc(CN2C[C@@H](C[C@H]2[*:1])NC(=O)CO)s1
O=[N+]([O-])c1ccc(C[NH+]2CC[NH+](Cc3ccccc3Br)CC2)cc1 O=[N+]([O-])[*:1] Brc1ccccc1C[NH+]1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(C[NH+]2CC[NH+](Cc3ccccc3Br)CC2)cc1 Brc1ccccc1C[*:1] O=[N+]([O-])c1ccc(cc1)C[NH+]1CC[NH+](CC1)[*:1]
O=[N+]([O-])c1ccc(C[NH+]2CC[NH+](Cc3ccccc3Br)CC2)cc1 Brc1ccccc1[*:1] O=[N+]([O-])c1ccc(cc1)C[NH+]1CC[NH+](CC1)C[*:1]
Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2cccc([S@](C)=O)c2)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(c1)[S@](C)=O)[*:1]
Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2cccc([S@](C)=O)c2)c1 C[S@](=O)[*:1] Cc1cc(C)cc(c1)[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
C/C=C(/C)C(=O)Nc1cccc(-c2noc([O-])n2)c1 [O-]c1nc(no1)[*:1] C/C=C(/C)C(=O)Nc1cccc(c1)[*:1]
C/C=C(/C)C(=O)Nc1cccc(-c2noc([O-])n2)c1 CC=C(C)[*:1] O=C(Nc1cccc(c1)-c1noc([O-])n1)[*:1]
COc1ccc(/C(C)=N/N2CCN(c3ccccc3OC)CC2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)N=C(C)[*:1]
COc1ccc(/C(C)=N/N2CCN(c3ccccc3OC)CC2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)/C(C)=N/N1CCN(CC1)[*:1]
C[C@H](Cc1cccnc1)[NH2+]CC1=CN=[NH+][C@H]1c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H](Cc1cccnc1)[NH2+]CC1=CN=[NH+][C@@H]1[*:1]
C[C@H](Cc1cccnc1)[NH2+]CC1=CN=[NH+][C@H]1c1ccc(F)cc1F c1cncc(c1)[*:1] C[C@H](C[*:1])[NH2+]CC1=CN=[NH+][C@H]1c1ccc(F)cc1F
C[C@H](Cc1cccnc1)[NH2+]CC1=CN=[NH+][C@H]1c1ccc(F)cc1F c1cncc(c1)C[*:1] C[C@H]([NH2+]CC1=CN=[NH+][C@H]1c1ccc(F)cc1F)[*:1]
Cc1ccccc1CS(=O)(=O)CC(=O)Nc1cc(F)cc(F)c1 Cc1ccccc1[*:1] O=C(CS(=O)(=O)C[*:1])Nc1cc(F)cc(F)c1
Cc1cnc(OCc2nnc(Cc3ccccc3C)o2)c([N+](=O)[O-])c1 Cc1ccccc1[*:1] Cc1cnc(OCc2nnc(C[*:1])o2)c(c1)[N+](=O)[O-]
Cc1cnc(OCc2nnc(Cc3ccccc3C)o2)c([N+](=O)[O-])c1 Cc1ccccc1C[*:1] Cc1cnc(OCc2nnc(o2)[*:1])c(c1)[N+](=O)[O-]
Cc1cnc(OCc2nnc(Cc3ccccc3C)o2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(OCc2nnc(Cc3ccccc3C)o2)c(c1)[*:1]
CCOC(=O)C1(C)CC[NH+](Cc2cc(=O)c([O-])co2)CC1 CCOC(=O)[*:1] CC1(CC[NH+](CC1)Cc1cc(=O)c([O-])co1)[*:1]
COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccnc(C(C)C)n3)C2)cc1F CC(C)c1nccc(n1)[*:1] COc1ccc(cc1F)C(=O)[C@@H]1CCCN(C1)C[*:1]
COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccnc(C(C)C)n3)C2)cc1F CC(C)[*:1] COc1ccc(cc1F)C(=O)[C@@H]1CCCN(Cc2ccnc(n2)[*:1])C1
COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccnc(C(C)C)n3)C2)cc1F COc1ccc(cc1F)[*:1] CC(C)c1nccc(CN2CCC[C@H](C2)C(=O)[*:1])n1
COC(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] COC(=O)COC(=O)c1ccc(cc1)[*:1]
COC(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1 COC(=O)C[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)O[*:1]
COC(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1 COC(=O)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)OC[*:1]
C1=C(C[NH2+]CCc2cccs2)[C@@H](c2cc3ccccc3o2)N=N1 c1csc(c1)C[*:1] C1N=N[C@@H](C=1C[NH2+]C[*:1])c1cc2ccccc2o1
C1=C(C[NH2+]CCc2cccs2)[C@@H](c2cc3ccccc3o2)N=N1 c1csc(c1)[*:1] C1N=N[C@@H](C=1C[NH2+]CC[*:1])c1cc2ccccc2o1
C1=C(C[NH2+]CCc2cccs2)[C@@H](c2cc3ccccc3o2)N=N1 c1csc(c1)CC[*:1] C1N=N[C@@H](C=1C[NH2+][*:1])c1cc2ccccc2o1
CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2C)C1=O CCOc1ccccc1[*:1] C[C@@H]1CCCCN1C(=O)CN1C(=O)C(=O)N(C1=O)[*:1]
CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2C)C1=O CCO[*:1] C[C@@H]1CCCCN1C(=O)CN1C(=O)C(=O)N(C1=O)c1ccccc1[*:1]
Cc1ccc(NC(=O)C[NH2+]CC[C@H]2[NH+]=c3ccc(C)c(C)c3=[NH+]2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc2=[NH+][C@H](CC[NH2+]CC(=O)N[*:1])[NH+]=c2c1C
COc1ccc(CN(C)C(=O)N[C@@H](C)c2cc3cccc(OC)c3o2)cc1 COc1ccc(cc1)C[*:1] COc1cccc2cc(oc12)[C@H](C)NC(=O)N(C)[*:1]
COc1ccc(CN(C)C(=O)N[C@@H](C)c2cc3cccc(OC)c3o2)cc1 COc1ccc(cc1)[*:1] COc1cccc2cc(oc12)[C@H](C)NC(=O)N(C)C[*:1]
CCN(C(=O)COc1ccccc1OC)[C@H](C)c1ccc(C#N)cc1 COc1ccccc1[*:1] CCN(C(=O)CO[*:1])[C@H](C)c1ccc(C#N)cc1
CCN(C(=O)COc1ccccc1OC)[C@H](C)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CCN(C(=O)COc1ccccc1OC)[C@H](C)[*:1]
CC[C@H](C)N(CC)C(=O)NC(=O)CCCC(=O)[O-] O=C([O-])CCC[*:1] CC[C@H](C)N(CC)C(=O)NC(=O)[*:1]
CC[C@H](C)N(CC)C(=O)NC(=O)CCCC(=O)[O-] O=C([O-])C[*:1] CC[C@H](C)N(CC)C(=O)NC(=O)CC[*:1]
CC[C@H](C)N(CC)C(=O)NC(=O)CCCC(=O)[O-] CC[C@H](C)[*:1] CCN(C(=O)NC(=O)CCCC(=O)[O-])[*:1]
CC[C@H](C)N(CC)C(=O)NC(=O)CCCC(=O)[O-] O=C([O-])[*:1] CC[C@H](C)N(CC)C(=O)NC(=O)CCC[*:1]
CC[C@H](C)N(CC)C(=O)NC(=O)CCCC(=O)[O-] O=C([O-])CC[*:1] CC[C@H](C)N(CC)C(=O)NC(=O)C[*:1]
Cc1ccc(NC(=O)C[C@@]23S[C@@](C)(NC2=O)[C@@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@]1(C[*:1])S[C@@]2(C)NC1=O
Cc1ccc(NC(=O)C[C@@]23S[C@@](C)(NC2=O)[C@@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C[C@@]12S[C@@](C)(NC1=O)[C@@H]1C(=O)N(C(=O)[C@@H]12)[*:1]
Cc1ccc(NC(=O)C[C@@]23S[C@@](C)(NC2=O)[C@@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@]1(CC(=O)N[*:1])S[C@@]2(C)NC1=O
Cn1cc(C(N)=O)cc1C(=O)OCCc1ccccc1F Fc1ccccc1[*:1] Cn1cc(cc1C(=O)OCC[*:1])C(N)=O
Cn1cc(C(N)=O)cc1C(=O)OCCc1ccccc1F NC(=O)[*:1] Cn1cc(cc1C(=O)OCCc1ccccc1F)[*:1]
CC(/C=c1\sc2nc(C)nn2c1=O)=C\c1ccccc1 c1ccc(cc1)[*:1] CC(/C=c1\sc2nc(C)nn2c1=O)=C[*:1]
Cc1nccn1-c1cncc(N2CC[C@@H](S(=O)(=O)NC(C)C)C2)n1 CC(C)[*:1] Cc1nccn1-c1cncc(n1)N1CC[C@H](C1)S(=O)(=O)N[*:1]
Cc1nccn1-c1cncc(N2CC[C@@H](S(=O)(=O)NC(C)C)C2)n1 Cc1nccn1[*:1] CC(C)NS(=O)(=O)[C@@H]1CCN(C1)c1cncc(n1)[*:1]
Cc1nccn1-c1cncc(N2CC[C@@H](S(=O)(=O)NC(C)C)C2)n1 CC(C)NS(=O)(=O)[*:1] Cc1nccn1-c1cncc(n1)N1CC[C@@H](C1)[*:1]
CCOc1c(Cl)cccc1NC(=O)NCc1ccccn1 c1ccc(nc1)[*:1] CCOc1c(Cl)cccc1NC(=O)NC[*:1]
CCOc1c(Cl)cccc1NC(=O)NCc1ccccn1 CCO[*:1] O=C(NCc1ccccn1)Nc1cccc(Cl)c1[*:1]
CCOc1c(Cl)cccc1NC(=O)NCc1ccccn1 c1ccc(C[*:1])nc1 CCOc1c(Cl)cccc1NC(=O)N[*:1]
Cc1c(C(=O)NC2CCCCC2)[nH]c2c1C(=O)CCC2 C1CCC(CC1)[*:1] Cc1c([nH]c2CCCC(=O)c21)C(=O)N[*:1]
CCOC(=O)Cn1/c(=N\C(=O)c2ccnn2CC)sc2c(C)cc(C)cc21 CCOC(=O)[*:1] CCn1nccc1C(=O)/N=c1/sc2c(C)cc(C)cc2n1C[*:1]
CCOC(=O)Cn1/c(=N\C(=O)c2ccnn2CC)sc2c(C)cc(C)cc21 CCn1nccc1[*:1] CCOC(=O)Cn1/c(=N\C(=O)[*:1])sc2c(C)cc(C)cc21
CCOC(=O)Cn1/c(=N\C(=O)c2ccnn2CC)sc2c(C)cc(C)cc21 CCOC(=O)C[*:1] CCn1nccc1C(=O)/N=c1/sc2c(C)cc(C)cc2n1[*:1]
CC(=O)N1CCN(C(=O)CSC2CCCC2)CC1 C1CCC(C1)S[*:1] CC(=O)N1CCN(CC1)C(=O)C[*:1]
CC(=O)N1CCN(C(=O)CSC2CCCC2)CC1 C1CCC(C1)[*:1] CC(=O)N1CCN(CC1)C(=O)CS[*:1]
Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CCCC[C@H]3OC3CCCC3)cn12 C1CCC(C1)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N[C@H]1CCCC[C@H]1O[*:1]
Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CCCC[C@H]3OC3CCCC3)cn12 C1CCC(C1)O[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N[C@H]1CCCC[C@@H]1[*:1]
N/C(CN1CCOCC1)=N\OCC(=O)Nc1ccccc1 C1CN(CCO1)[*:1] N/C(C[*:1])=N\OCC(=O)Nc1ccccc1
N/C(CN1CCOCC1)=N\OCC(=O)Nc1ccccc1 C1CN(CCO1)C[*:1] N/C(=N\OCC(=O)Nc1ccccc1)[*:1]
N/C(CN1CCOCC1)=N\OCC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] N/C(CN1CCOCC1)=N\OCC(=O)N[*:1]
CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1cccn1C Cn1cccc1[*:1] CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)[*:1]
CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1cccn1C CC[C@H](C)[*:1] Cn1cccc1C(=O)NNC(=O)COc1ccccc1[*:1]
CC(=O)c1c[nH]c(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 CC(=O)[*:1] C[C@H](c1cccc(c1)[N+](=O)[O-])N(C)C(=O)c1cc(c[nH]1)[*:1]
CC(=O)c1c[nH]c(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CC(=O)c1c[nH]c(c1)C(=O)N(C)[C@H](C)c1cccc(c1)[*:1]
CCCNC(=O)Nc1ccc(CC(=O)N2CCSC(C)(C)C2)cc1 CCCNC(=O)N[*:1] CC1(C)CN(CCS1)C(=O)Cc1ccc(cc1)[*:1]
CCCNC(=O)Nc1ccc(CC(=O)N2CCSC(C)(C)C2)cc1 CCC[*:1] CC1(C)CN(CCS1)C(=O)Cc1ccc(cc1)NC(=O)N[*:1]
NS(=O)(=O)c1ccc(-c2nc(-c3cccc(N4CCCC4=O)c3)cs2)cc1 O=C1CCCN1[*:1] NS(=O)(=O)c1ccc(cc1)-c1nc(cs1)-c1cccc(c1)[*:1]
NS(=O)(=O)c1ccc(-c2nc(-c3cccc(N4CCCC4=O)c3)cs2)cc1 NS(=O)(=O)[*:1] O=C1CCCN1c1cccc(c1)-c1csc(n1)-c1ccc(cc1)[*:1]
C[NH2+][C@H]1CCC[C@@H]1S[C@@H](C)CCO OCC[*:1] C[NH2+][C@H]1CCC[C@@H]1S[C@@H](C)[*:1]
C[C@H](CO)NC(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 Clc1ccccc1[*:1] C[C@H](CO)NC(=O)C(=O)Nc1ccc(cc1)S[*:1]
C[C@H](CO)NC(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 Clc1ccccc1S[*:1] C[C@H](CO)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1C[C@@H]1C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 C[C@H]1C[C@H]1[*:1] C[C@H](CNC(=O)[*:1])Sc1ccc(Br)cc1
COc1cc(NC(=O)N(CCCCO)C2CC2)ccc1Br OCC[*:1] COc1cc(ccc1Br)NC(=O)N(CC[*:1])C1CC1
COc1cc(NC(=O)N(CCCCO)C2CC2)ccc1Br OCCC[*:1] COc1cc(ccc1Br)NC(=O)N(C[*:1])C1CC1
COc1cc(NC(=O)N(CCCCO)C2CC2)ccc1Br C1CC1[*:1] COc1cc(ccc1Br)NC(=O)N(CCCCO)[*:1]
COc1cc(NC(=O)N(CCCCO)C2CC2)ccc1Br OCCCC[*:1] COc1cc(ccc1Br)NC(=O)N(C1CC1)[*:1]
CCCCC1CCC(C(=O)Nc2ccc(C)c([N-]S(C)(=O)=O)c2)CC1 CCC[*:1] Cc1ccc(cc1[N-]S(C)(=O)=O)NC(=O)C1CCC(CC1)C[*:1]
CCCCC1CCC(C(=O)Nc2ccc(C)c([N-]S(C)(=O)=O)c2)CC1 CCCC[*:1] Cc1ccc(cc1[N-]S(C)(=O)=O)NC(=O)C1CCC(CC1)[*:1]
Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2)ccc1Cl Cc1cc(ccc1Cl)[*:1] C[C@H](Oc1ccccc1)C(=O)NNC(=O)CO[*:1]
Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2)ccc1Cl c1ccc(cc1)[*:1] Cc1cc(ccc1Cl)OCC(=O)NNC(=O)[C@H](C)O[*:1]
Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2)ccc1Cl c1ccc(cc1)O[*:1] Cc1cc(ccc1Cl)OCC(=O)NNC(=O)[C@H](C)[*:1]
CC(=O)c1ccc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)[*:1]
CC(=O)c1ccc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)cc1 CC(=O)[*:1] O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1ccc(cc1)[*:1]
O=C(OCC(=O)N1CCCC1)c1cc(=O)c2cc(Cl)ccc2o1 O=C(N1CCCC1)[*:1] O=C(OC[*:1])c1cc(=O)c2cc(Cl)ccc2o1
CCC[NH+]1CCCN(c2ncnc3[nH]cnc23)CC1 CCC[*:1] c1nc(c2nc[nH]c2n1)N1CCC[NH+](CC1)[*:1]
C[C@H](CC(=O)Nc1ccccc1CC(N)=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)Nc1ccccc1CC(N)=O)[*:1]
C[C@H](CC(=O)Nc1ccccc1CC(N)=O)c1ccccc1 NC(=O)C[*:1] C[C@H](CC(=O)Nc1ccccc1[*:1])c1ccccc1
C[C@H](CC(=O)Nc1ccccc1CC(N)=O)c1ccccc1 NC(=O)[*:1] C[C@H](CC(=O)Nc1ccccc1C[*:1])c1ccccc1
C[C@H]1C[C@@H](Sc2nnc(N3CCCC3)n2Cc2ccco2)C(=O)O1 c1coc(c1)C[*:1] C[C@H]1C[C@@H](Sc2nnc(N3CCCC3)n2[*:1])C(=O)O1
C[C@H]1C[C@@H](Sc2nnc(N3CCCC3)n2Cc2ccco2)C(=O)O1 c1coc(c1)[*:1] C[C@H]1C[C@@H](Sc2nnc(N3CCCC3)n2C[*:1])C(=O)O1
C[C@H]1C[C@@H](Sc2nnc(N3CCCC3)n2Cc2ccco2)C(=O)O1 C1CCN(C1)[*:1] C[C@H]1C[C@@H](Sc2nnc(n2Cc2ccco2)[*:1])C(=O)O1
Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Br)c3)nn2[C@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1Br)NC(=O)c1cc(n(n1)[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Br)c3)nn2[C@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1Br)[*:1] Cc1ccc(cc1)-c1cc(nn1[C@H]1CCS(=O)(=O)C1)C(=O)N[*:1]
N#Cc1ccc(/C=C/C(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)cc1 O=C([O-])[*:1] N#Cc1ccc(/C=C/C(=O)N[C@H]2C=C[C@H](C2)[*:1])cc1
CO[C@H]1CCC[C@@H](OCc2ccc(C[NH2+]C3CC3)cn2)C1 C1CC1[*:1] CO[C@H]1CCC[C@H](C1)OCc1ccc(cn1)C[NH2+][*:1]
N#CCC[NH+](CC(=O)Nc1cc(F)ccc1F)CC1CC1 N#CC[*:1] O=C(C[NH+](CC1CC1)C[*:1])Nc1cc(F)ccc1F
N#CCC[NH+](CC(=O)Nc1cc(F)ccc1F)CC1CC1 C1CC1C[*:1] N#CCC[NH+](CC(=O)Nc1cc(F)ccc1F)[*:1]
N#CCC[NH+](CC(=O)Nc1cc(F)ccc1F)CC1CC1 C1CC1[*:1] N#CCC[NH+](CC(=O)Nc1cc(F)ccc1F)C[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCc2ccc(C)c(F)c2)cc1C Cc1ccc(cc1F)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)NC[*:1]
CC(=O)Nc1c(C)cc(NC(=O)NCc2ccc(C)c(F)c2)cc1C CC(=O)N[*:1] Cc1ccc(cc1F)CNC(=O)Nc1cc(C)c(c(C)c1)[*:1]
Cc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1cc(ccc1OC(F)F)[N+](=O)[O-])N[*:1]
Cc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CNC(=O)Nc1cc(ccc1OC(F)F)[*:1]
Cc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])Nc1cc(ccc1OC(F)F)[N+](=O)[O-]
Cc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 FC(F)O[*:1] Cc1ccc(cc1)CNC(=O)Nc1cc(ccc1[*:1])[N+](=O)[O-]
Cc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 FC(F)[*:1] Cc1ccc(cc1)CNC(=O)Nc1cc(ccc1O[*:1])[N+](=O)[O-]
O=C(CCn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCn1cnc2c(Cl)cc(Cl)cc2c1=O)[*:1]
COC[C@@H]1CCN(c2cc(C)c(F)cc2[C@H](C)[NH3+])C1 COC[*:1] Cc1cc(c(cc1F)[C@H](C)[NH3+])N1CC[C@H](C1)[*:1]
C#Cc1cccc(NC(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] C#Cc1cccc(c1)NC(=O)N(C1CC1)[C@H](C)[*:1]
C#Cc1cccc(NC(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)c1 CS(=O)(=O)[*:1] C#Cc1cccc(c1)NC(=O)N(C1CC1)[C@H](C)C[*:1]
C#Cc1cccc(NC(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)c1 C1CC1[*:1] C#Cc1cccc(c1)NC(=O)N([C@H](C)CS(C)(=O)=O)[*:1]
CCOCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCOCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)[*:1]
CCOCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 CCO[*:1] O=C(C[*:1])NNC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F
CCOCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 CCOC[*:1] O=C(NNC(=O)[*:1])[C@@H]1C[C@@H]1c1ccc(cc1)C(F)(F)F
COC(=O)[C@H](CNC(=O)c1cc(C)nn1C)Oc1ccc(F)cc1 COC(=O)[*:1] Cc1cc(C(=O)NC[C@H](Oc2ccc(F)cc2)[*:1])n(C)n1
COC(=O)[C@H](CNC(=O)c1cc(C)nn1C)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] COC(=O)[C@H](CNC(=O)c1cc(C)nn1C)[*:1]
COC(=O)[C@H](CNC(=O)c1cc(C)nn1C)Oc1ccc(F)cc1 Cc1cc(n(C)n1)[*:1] COC(=O)[C@H](CNC(=O)[*:1])Oc1ccc(F)cc1
COC(=O)[C@H](CNC(=O)c1cc(C)nn1C)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@H](CNC(=O)c1cc(C)nn1C)O[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)N2CCC(CC(=O)[O-])CC2)C1 O=C([O-])C[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)N1CCC(CC1)[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)N2CCC(CC(=O)[O-])CC2)C1 O=C([O-])[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)N1CCC(CC1)C[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)N2CCC(CC(=O)[O-])CC2)C1 C[C@@H]1CCC[C@@H](C1)[*:1] CN(C(=O)N1CCC(CC1)CC(=O)[O-])[*:1]
Cc1ccc(CNS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2F)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1cccc(Cl)c1)c1ccc(F)c(c1)S(=O)(=O)N[*:1]
Cc1ccc(CNS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2F)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)CNS(=O)(=O)c1cc(ccc1F)C(=O)N[*:1]
Cc1ccc(CNS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2F)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)c1ccc(F)c(c1)S(=O)(=O)NC[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)c2cccc(C#N)c2)o1 Cc1ccc(o1)[*:1] N#Cc1cccc(c1)C(=O)N1CCSC[C@H]1[*:1]
CCc1ccc([C@@H](C)NC(=O)Nc2ccnn2C(C)C)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)Nc1ccnn1[*:1]
N#Cc1ccc(C(=O)Nc2nnc(-c3ccc(Br)s3)o2)cc1 Brc1ccc(s1)[*:1] N#Cc1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
O=C(NCc1ccc(-n2cncn2)cc1)N1CCOC[C@H]1C1CC1 c1ncn(n1)[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCOC[C@H]1C1CC1
O=C(NCc1ccc(-n2cncn2)cc1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(NCc1ccc(cc1)-n1cncn1)N1CCOC[C@@H]1[*:1]
CCCN1C(=O)[C@@H](C)Oc2ccc(N)cc21 CCC[*:1] C[C@H]1Oc2ccc(N)cc2N(C1=O)[*:1]
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O CC(C)[*:1] C[C@@]1(NC(=O)N(CC(=O)N(Cc2ccc(C#N)cc2)[*:1])C1=O)C1CC1
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O N#Cc1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)CN1C(=O)N[C@@](C)(C1=O)C1CC1
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O N#Cc1ccc(cc1)C[*:1] CC(C)N(C(=O)CN1C(=O)N[C@@](C)(C1=O)C1CC1)[*:1]
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O C1CC1[*:1] CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
N#C/C(=C/c1ccco1)C(=O)OC[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] N#C/C(=C/c1ccco1)C(=O)OC[*:1]
N#C/C(=C/c1ccco1)C(=O)OC[C@H]1CCCCO1 c1coc(c1)[*:1] N#CC(=C[*:1])C(=O)OC[C@H]1CCCCO1
CC(C)[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H](NCC(=O)Nc1ccc(Cl)cc1)[*:1]
CC(C)[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1cccnc1 Clc1ccc(cc1)[*:1] CC(C)[C@@H](NCC(=O)N[*:1])c1cccnc1
CC(C)[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1cccnc1 CC(C)[*:1] O=C(CN[C@@H](c1cccnc1)[*:1])Nc1ccc(Cl)cc1
Cc1cc(/C=C2\C(=O)NC(=O)c3ccccc32)cc(C)c1OCc1ccccn1 c1ccc(nc1)[*:1] Cc1cc(/C=C2\C(=O)NC(=O)c3ccccc32)cc(C)c1OC[*:1]
Cc1cc(/C=C2\C(=O)NC(=O)c3ccccc32)cc(C)c1OCc1ccccn1 c1ccc(CO[*:1])nc1 Cc1cc(/C=C2\C(=O)NC(=O)c3ccccc32)cc(C)c1[*:1]
Cc1cc(/C=C2\C(=O)NC(=O)c3ccccc32)cc(C)c1OCc1ccccn1 c1ccc(C[*:1])nc1 Cc1cc(/C=C2\C(=O)NC(=O)c3ccccc32)cc(C)c1O[*:1]
CN1C(=O)N(Cc2ccccc2Cl)C(=O)[C@@H]2[C@H]1N/C(=N\C[C@@H]1C=CC=[NH+]1)N2C Clc1ccccc1[*:1] CN1C(=O)N(C[*:1])C(=O)[C@@H]2[C@H]1N/C(=N\C[C@@H]1C=CC=[NH+]1)N2C
CN1C(=O)N(Cc2ccccc2Cl)C(=O)[C@@H]2[C@H]1N/C(=N\C[C@@H]1C=CC=[NH+]1)N2C Clc1ccccc1C[*:1] CN1C(=O)N(C(=O)[C@@H]2[C@H]1N/C(=N\C[C@@H]1C=CC=[NH+]1)N2C)[*:1]
CCC[C@@]1(c2nc([C@@H]3CSCCO3)no2)CCC[NH2+]C1 C1CSC[C@H](O1)[*:1] CCC[C@]1(CCC[NH2+]C1)c1nc(no1)[*:1]
CCC[C@@]1(c2nc([C@@H]3CSCCO3)no2)CCC[NH2+]C1 CCC[*:1] C1C[NH2+]C[C@](C1)(c1nc(no1)[C@@H]1CSCCO1)[*:1]
Cc1cc(C(=O)N2CC(C(=O)Nc3nc(-c4cccnc4)cs3)C2)no1 c1cncc(c1)[*:1] Cc1cc(no1)C(=O)N1CC(C1)C(=O)Nc1nc(cs1)[*:1]
Cc1cc(C(=O)N2CC(C(=O)Nc3nc(-c4cccnc4)cs3)C2)no1 Cc1cc(no1)[*:1] O=C(Nc1nc(cs1)-c1cccnc1)C1CN(C1)C(=O)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N1CCC[C@H]1CO CC(C)[*:1] [NH3+]C[C@@H](C[*:1])C(=O)N1CCC[C@H]1CO
CC(C)C[C@H](C[NH3+])C(=O)N1CCC[C@H]1CO CC(C)C[*:1] [NH3+]C[C@H](C(=O)N1CCC[C@H]1CO)[*:1]
NC(=O)CSc1ccccc1NC(=O)Cc1cccs1 NC(=O)CS[*:1] O=C(Cc1cccs1)Nc1ccccc1[*:1]
NC(=O)CSc1ccccc1NC(=O)Cc1cccs1 c1csc(c1)C[*:1] NC(=O)CSc1ccccc1NC(=O)[*:1]
NC(=O)CSc1ccccc1NC(=O)Cc1cccs1 c1csc(c1)[*:1] NC(=O)CSc1ccccc1NC(=O)C[*:1]
NC(=O)CSc1ccccc1NC(=O)Cc1cccs1 NC(=O)C[*:1] O=C(Cc1cccs1)Nc1ccccc1S[*:1]
NC(=O)CSc1ccccc1NC(=O)Cc1cccs1 NC(=O)[*:1] O=C(Cc1cccs1)Nc1ccccc1SC[*:1]
CNC(=O)c1cccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 CNC(=O)[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)c1cccc(c1)[*:1]
CC1CCN(C(=O)NC[C@](C)(O)CO)CC1 C[C@](O)(CO)[*:1] CC1CCN(CC1)C(=O)NC[*:1]
c1ccc(-c2cc(-c3ccccc3)sc(=[N+]3CCCC3)c2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1cc(cc(s1)=[N+]1CCCC1)[*:1]
c1ccc(-c2cc(-c3ccccc3)sc(=[N+]3CCCC3)c2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1cc(sc(c1)=[N+]1CCCC1)[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)N1CCN(C(C)=O)CC1 CC(=O)N[*:1] CC(=O)N1CCN(CC1)C(=O)COC(=O)C(=Cc1ccccc1)[*:1]
CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)N1CCN(C(C)=O)CC1 c1ccc(cc1)[*:1] CC(=O)NC(=C[*:1])C(=O)OCC(=O)N1CCN(CC1)C(C)=O
CC[C@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 CC[C@H](C)[*:1] O=C(N[*:1])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
CC[C@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)[*:1]
CC[C@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 CC[C@H](C)NC(=O)[*:1] O=S(=O)(c1ccccc1)N1CCCC[C@H]1[*:1]
O=C(NOCc1ccccc1)c1ccc(=O)n(Cc2ccccc2Cl)c1 c1ccc(cc1)[*:1] O=C(NOC[*:1])c1ccc(=O)n(c1)Cc1ccccc1Cl
O=C(NOCc1ccccc1)c1ccc(=O)n(Cc2ccccc2Cl)c1 c1ccc(cc1)C[*:1] O=C(NO[*:1])c1ccc(=O)n(c1)Cc1ccccc1Cl
O=C(NOCc1ccccc1)c1ccc(=O)n(Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] O=C(NOCc1ccccc1)c1ccc(=O)n(c1)C[*:1]
O=C(NOCc1ccccc1)c1ccc(=O)n(Cc2ccccc2Cl)c1 Clc1ccccc1C[*:1] O=C(NOCc1ccccc1)c1ccc(=O)n(c1)[*:1]
C[C@H]1CCC[C@H](NC(=O)CNC(=O)c2ccsc2)[C@@H]1C c1cc(cs1)[*:1] C[C@H]1CCC[C@H](NC(=O)CNC(=O)[*:1])[C@@H]1C
O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=S(=O)(NCc1ccc2OCOc2c1)[*:1]
CNC(=O)C/C(N)=N/O[C@H]1CCN(c2c(F)cccc2F)C1=O CNC(=O)[*:1] N/C(C[*:1])=N\O[C@H]1CCN(C1=O)c1c(F)cccc1F
CNC(=O)C/C(N)=N/O[C@H]1CCN(c2c(F)cccc2F)C1=O CNC(=O)C[*:1] N/C(=N\O[C@H]1CCN(C1=O)c1c(F)cccc1F)[*:1]
CCSCc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)c(C)c2)cc1 CCSC[*:1] Cc1cc(ccc1S(N)(=O)=O)NC(=O)c1ccc(cc1)[*:1]
CCSCc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)c(C)c2)cc1 NS(=O)(=O)[*:1] CCSCc1ccc(cc1)C(=O)Nc1ccc(c(C)c1)[*:1]
CCSCc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)c(C)c2)cc1 CCS[*:1] Cc1cc(ccc1S(N)(=O)=O)NC(=O)c1ccc(cc1)C[*:1]
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)C(=O)N1CCC(CC1)[*:1]
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCC(C(=O)[O-])CC1 c1cc2OCCOc2cc1[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])C(=O)N1CCC(CC1)C(=O)[O-]
O=C(N[C@H]1CCN(C(=O)c2cnc(-c3ccncc3)nc2[O-])C1)C1CCC1 c1cc(ccn1)[*:1] O=C(N[C@H]1CCN(C1)C(=O)c1cnc(nc1[O-])[*:1])C1CCC1
O=C(N[C@H]1CCN(C(=O)c2cnc(-c3ccncc3)nc2[O-])C1)C1CCC1 C1CC(C1)[*:1] O=C(c1cnc(nc1[O-])-c1ccncc1)N1CC[C@@H](C1)NC(=O)[*:1]
O=C(N[C@H]1CCN(C(=O)c2cnc(-c3ccncc3)nc2[O-])C1)C1CCC1 O=C(N[*:1])C1CCC1 O=C(c1cnc(nc1[O-])-c1ccncc1)N1CC[C@@H](C1)[*:1]
FC(F)(F)Cn1cc(NCc2cnc(-c3ccsc3)s2)cn1 FC(F)(F)[*:1] c1cc(cs1)-c1ncc(CNc2cnn(c2)C[*:1])s1
FC(F)(F)Cn1cc(NCc2cnc(-c3ccsc3)s2)cn1 FC(F)(F)C[*:1] c1cc(cs1)-c1ncc(CNc2cnn(c2)[*:1])s1
FC(F)(F)Cn1cc(NCc2cnc(-c3ccsc3)s2)cn1 c1cc(cs1)[*:1] FC(F)(F)Cn1cc(cn1)NCc1cnc(s1)[*:1]
CCCn1c2ccccc2c2cnn(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c(=O)c21 CCC[*:1] COc1cc(OC)c(cc1Cl)NC(=O)Cn1ncc2c3ccccc3n(c2c1=O)[*:1]
C[NH+](Cc1ccc(C#N)cc1)C1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[NH+](Cc1ccc(C#N)cc1)C1CCN(CC1)[*:1]
C[NH+](Cc1ccc(C#N)cc1)C1CCN(c2ccc(F)cc2)CC1 N#Cc1ccc(cc1)[*:1] C[NH+](C[*:1])C1CCN(CC1)c1ccc(F)cc1
CC(C)[C@H](Cc1ccc(F)cc1)Nc1c(C#N)c(=O)n(C)c(=O)n1C CC(C)[*:1] Cn1c(N[C@@H](Cc2ccc(F)cc2)[*:1])c(C#N)c(=O)n(C)c1=O
CC(C)[C@H](Cc1ccc(F)cc1)Nc1c(C#N)c(=O)n(C)c(=O)n1C Fc1ccc(cc1)[*:1] CC(C)[C@H](C[*:1])Nc1c(C#N)c(=O)n(C)c(=O)n1C
CC(C)[C@H](Cc1ccc(F)cc1)Nc1c(C#N)c(=O)n(C)c(=O)n1C Fc1ccc(cc1)C[*:1] CC(C)[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)[*:1]
C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2cccs2)o1 c1csc(c1)C[*:1] C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N[*:1])o1
C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2cccs2)o1 c1csc(c1)[*:1] C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC[*:1])o1
CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 CC(C)[*:1] C[C@H]([NH2+]CC1(CCOCC1)c1cccc(Cl)c1)C(=O)NC(=O)NC[*:1]
CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 CC(C)C[*:1] C[C@H]([NH2+]CC1(CCOCC1)c1cccc(Cl)c1)C(=O)NC(=O)N[*:1]
CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 Clc1cccc(c1)[*:1] CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(CCOCC1)[*:1]
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CS OC[C@@H](O)[*:1] O[C@H](CS)[C@@H](O)[C@H](O)[*:1]
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CS O[C@H](CS)[*:1] OC[C@@H](O)[C@@H](O)[C@H](O)[*:1]
Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc2[C@@H](CCCn2n1)[NH2+][C@@H]1CCC[C@H]1[*:1]
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N[*:1]
CN(C)C(=O)CN(Cc1cccc2c1OCCCO2)CC(F)(F)F CN(C)C(=O)C[*:1] FC(F)(F)CN(Cc1cccc2OCCCOc12)[*:1]
CN(C)C(=O)CN(Cc1cccc2c1OCCCO2)CC(F)(F)F FC(F)(F)C[*:1] CN(C)C(=O)CN(Cc1cccc2OCCCOc12)[*:1]
CN(C)C(=O)CN(Cc1cccc2c1OCCCO2)CC(F)(F)F CN(C)C(=O)[*:1] FC(F)(F)CN(Cc1cccc2OCCCOc12)C[*:1]
CN(C)C(=O)CN(Cc1cccc2c1OCCCO2)CC(F)(F)F FC(F)(F)[*:1] CN(C)C(=O)CN(Cc1cccc2OCCCOc12)C[*:1]
CCOc1cc(CNC(=O)NCc2csc3ccccc23)ccn1 CCO[*:1] O=C(NCc1ccnc(c1)[*:1])NCc1csc2ccccc12
Cc1ccccc1[C@@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)C(C)C c1ccc2O[C@@H](Cc2c1)[*:1] Cc1ccccc1[C@@H](NC(=O)NNC(=O)[*:1])C(C)C
Cc1ccccc1[C@@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)[*:1]
Cc1ccccc1[C@@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)[*:1]
CC[NH+](Cc1ccccn1)CC(C)(C)CS CC(C)(CS)[*:1] CC[NH+](Cc1ccccn1)C[*:1]
O=S(=O)(N1CCCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=S(=O)(N1CCCCC1)N1CCN(CC1)C[*:1]
O=C(NCCOc1ncccc1Cl)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCCOc1ncccc1Cl)c1ccccc1[*:1]
O=C(NCCOc1ncccc1Cl)c1ccccc1C(F)(F)F Clc1cccnc1[*:1] O=C(NCCO[*:1])c1ccccc1C(F)(F)F
Cc1cc(C(=O)N(C)[C@H]2CCSC2)sc1Br C1C[C@@H](CS1)[*:1] Cc1cc(sc1Br)C(=O)N(C)[*:1]
Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)on1 O=[N+]([O-])[*:1] Cc1cc(on1)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)on1 Cc1cc(on1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1[*:1]
CCOCc1cccc(NC(=O)C(=O)N2CCC(C(C)C)CC2)c1 CCO[*:1] CC(C)C1CCN(CC1)C(=O)C(=O)Nc1cccc(c1)C[*:1]
CCOCc1cccc(NC(=O)C(=O)N2CCC(C(C)C)CC2)c1 CCOC[*:1] CC(C)C1CCN(CC1)C(=O)C(=O)Nc1cccc(c1)[*:1]
CCOCc1cccc(NC(=O)C(=O)N2CCC(C(C)C)CC2)c1 CC(C)[*:1] CCOCc1cccc(c1)NC(=O)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3cnc(-c4cccc(O)c4)nc3)on2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cnc(nc1)-c1cccc(O)c1)c1cc(no1)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3cnc(-c4cccc(O)c4)nc3)on2)cc1 Oc1cccc(c1)[*:1] Cc1ccc(cc1)-c1cc(on1)C(=O)Nc1cnc(nc1)[*:1]
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 CC[C@@H](C)[*:1] Cc1ccc(NC(=O)c2ccc(cc2)O[*:1])c(c1)[N+](=O)[O-]
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC[C@@H](C)Oc1ccc(cc1)C(=O)Nc1ccc(C)cc1[*:1]
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 CC[C@@H](C)O[*:1] Cc1ccc(NC(=O)c2ccc(cc2)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc2c(CC(=O)N[C@H](CO)c3ccccc3F)coc2c1 Fc1ccccc1[*:1] Cc1ccc2c(coc2c1)CC(=O)N[C@H](CO)[*:1]
O=C(CCCSc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CCCSc1ccc(F)cc1)Nc1cccc(c1)[*:1]
O=C(CCCSc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 Fc1ccc(cc1)[*:1] O=C(CCCS[*:1])Nc1cccc(c1)[N+](=O)[O-]
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1C=C[C@H](CO)C1 CC(C)(C)C[*:1] O=C(NNC(=O)[*:1])N[C@@H]1C=C[C@H](CO)C1
CC(C)(C)CC(=O)NNC(=O)N[C@@H]1C=C[C@H](CO)C1 CC(C)(C)[*:1] O=C(C[*:1])NNC(=O)N[C@@H]1C=C[C@H](CO)C1
Cc1nc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c[nH]1 Cc1nc(c[nH]1)[*:1] CN(Cc1ccc2OCOc2c1)C(=O)[*:1]
O=S(=O)(c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1)C(F)F c1ccc(cc1)[*:1] O=S(=O)(c1ccc(cc1)CN1CCO[C@@H](C1)[*:1])C(F)F
O=S(=O)(c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1)C(F)F O=S(=O)(C(F)F)[*:1] c1ccc(cc1)[C@H]1CN(CCO1)Cc1ccc(cc1)[*:1]
O=S(=O)(c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1)C(F)F FC(F)[*:1] O=S(=O)(c1ccc(cc1)CN1CCO[C@H](C1)c1ccccc1)[*:1]
C[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] C[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
C[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1 c1cc2OCCOc2cc1[*:1] C[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1])C(=O)NC1CCCCC1
C[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2OCCOc2c1)C(=O)N[*:1]
CC(=O)N1CC2(CCN(C(=O)COCc3ccccc3)CC2)C[C@H]1C(=O)[O-] c1ccc(cc1)[*:1] CC(=O)N1CC2(CCN(CC2)C(=O)COC[*:1])C[C@H]1C(=O)[O-]
CC(=O)N1CC2(CCN(C(=O)COCc3ccccc3)CC2)C[C@H]1C(=O)[O-] c1ccc(cc1)COC[*:1] CC(=O)N1CC2(CCN(CC2)C(=O)[*:1])C[C@H]1C(=O)[O-]
CC(=O)N1CC2(CCN(C(=O)COCc3ccccc3)CC2)C[C@H]1C(=O)[O-] c1ccc(cc1)CO[*:1] CC(=O)N1CC2(CCN(CC2)C(=O)C[*:1])C[C@H]1C(=O)[O-]
CC(=O)N1CC2(CCN(C(=O)COCc3ccccc3)CC2)C[C@H]1C(=O)[O-] O=C([O-])[*:1] CC(=O)N1CC2(CCN(CC2)C(=O)COCc2ccccc2)C[C@@H]1[*:1]
CC(=O)N1CC2(CCN(C(=O)COCc3ccccc3)CC2)C[C@H]1C(=O)[O-] c1ccc(cc1)C[*:1] CC(=O)N1CC2(CCN(CC2)C(=O)CO[*:1])C[C@H]1C(=O)[O-]
Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CC[NH+](CC1)C[C@@H]1C[C@@H]2C=C[C@H]1C2)[*:1]
C=C(C)CSc1nc2cc(Cl)ccc2o1 C=C(C)C[*:1] Clc1ccc2oc(nc2c1)S[*:1]
C=C(C)CSc1nc2cc(Cl)ccc2o1 C=C(C)CS[*:1] Clc1ccc2oc(nc2c1)[*:1]
C=C(C)CSc1nc2cc(Cl)ccc2o1 C=C(C)[*:1] Clc1ccc2oc(nc2c1)SC[*:1]
Nc1cc(Cl)c([N+](=O)[O-])cc1COc1ccccc1 c1ccc(cc1)[*:1] Nc1cc(Cl)c(cc1CO[*:1])[N+](=O)[O-]
Nc1cc(Cl)c([N+](=O)[O-])cc1COc1ccccc1 O=[N+]([O-])[*:1] Nc1cc(Cl)c(cc1COc1ccccc1)[*:1]
O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCC1CCN(CC1)c1cc[nH+]cc1)N[*:1]
Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 c1csc(c1)[*:1] Cc1nc2NC3C[C@@H](CC(=O)C=3[C@H](c3cc(F)cc(F)c3)n2n1)[*:1]
Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 Fc1cc(F)cc(c1)[*:1] Cc1nc2NC3C[C@H](CC(=O)C=3[C@H](n2n1)[*:1])c1cccs1
COc1ccc2cc(/C=C(/C=O)C(C)C)ccc2c1 CC(C)[*:1] COc1ccc2cc(/C=C(/C=O)[*:1])ccc2c1
CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)c2cc(C#N)cs2)cc1 N#Cc1csc(c1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(C)C(=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)c2cc(C#N)cs2)cc1 CC(=O)[*:1] CN(C(=O)c1cc(C#N)cs1)S(=O)(=O)c1ccc(cc1)[*:1]
CN(c1ccccc1)C1CCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 c1ccc(cc1)[*:1] CN(C1CCN(CC1)CN1C(=O)N[C@](C)(C1=O)C1CC1)[*:1]
CN(c1ccccc1)C1CCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 C1CC1[*:1] CN(c1ccccc1)C1CCN(CC1)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CN(c1ccccc1)C1CCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 CN(c1ccccc1)[*:1] C[C@]1(NC(=O)N(CN2CCC(CC2)[*:1])C1=O)C1CC1
CCCC[C@@H](NC(N)=O)C(=O)N(CC)[C@H]1CCCC[C@@H]1C NC(=O)N[*:1] CCCC[C@@H](C(=O)N(CC)[C@H]1CCCC[C@@H]1C)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N(CC)[C@H]1CCCC[C@@H]1C CCC[*:1] CCN(C(=O)[C@@H](C[*:1])NC(N)=O)[C@H]1CCCC[C@@H]1C
CCCC[C@@H](NC(N)=O)C(=O)N(CC)[C@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@@H]1[*:1] CCCC[C@@H](NC(N)=O)C(=O)N(CC)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N(CC)[C@H]1CCCC[C@@H]1C CCCC[*:1] CCN(C(=O)[C@H](NC(N)=O)[*:1])[C@H]1CCCC[C@@H]1C
CCNC(=O)CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)N(CC)CC)cc21 CCN(CC)C(=O)[*:1] CCNC(=O)CN1C(=O)[C@H]2CCCCN2c2ccc(cc21)[*:1]
CCNC(=O)CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)N(CC)CC)cc21 CCNC(=O)C[*:1] CCN(CC)C(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCCCN21)[*:1]
CCNC(=O)CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)N(CC)CC)cc21 CCNC(=O)[*:1] CCN(CC)C(=O)c1ccc2c(c1)N(C[*:1])C(=O)[C@H]1CCCCN21
CC(C)CN1C(=O)C2(CCCC2)N[C@@H]1c1cn(C)nc1C(C)C CC(C)[*:1] CC(C)c1nn(C)cc1[C@H]1NC2(CCCC2)C(=O)N1C[*:1]
CC(C)CN1C(=O)C2(CCCC2)N[C@@H]1c1cn(C)nc1C(C)C CC(C)C[*:1] CC(C)c1nn(C)cc1[C@H]1NC2(CCCC2)C(=O)N1[*:1]
CC(C)CN1C(=O)C2(CCCC2)N[C@@H]1c1cn(C)nc1C(C)C CC(C)[*:1] CC(C)CN1C(=O)C2(CCCC2)N[C@@H]1c1cn(C)nc1[*:1]
CC[C@H](NC(=O)NCc1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)NCc1cccc(c1)C(=O)NC)c1cccc(c1)[*:1]
CC[C@H](NC(=O)NCc1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 CNC(=O)[*:1] CC[C@H](NC(=O)NCc1cccc(c1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)NCc1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC[C@H](NC(=O)NCc1cccc(c1)C(=O)NC)[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)NCc2cccc(OCC#N)c2)c1 N#CCO[*:1] Cc1ccc(c(c1)C(=O)NCc1cccc(c1)[*:1])-n1ccnc1
Cc1ccc(-n2ccnc2)c(C(=O)NCc2cccc(OCC#N)c2)c1 N#CC[*:1] Cc1ccc(c(c1)C(=O)NCc1cccc(c1)O[*:1])-n1ccnc1
Cc1ccc(-n2ccnc2)c(C(=O)NCc2cccc(OCC#N)c2)c1 c1cn(cn1)[*:1] Cc1ccc(c(c1)C(=O)NCc1cccc(c1)OCC#N)[*:1]
CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2Cl)C1 Clc1ccccc1[*:1] CC[NH+](CC)C[C@H]1CCN(C1)C(=O)[C@H](C)O[*:1]
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ncn[nH]1 c1n[nH]c(n1)S[*:1] CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[*:1]
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ncn[nH]1 c1n[nH]c(n1)[*:1] CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)S[*:1]
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ncn[nH]1 CC[C@H](C)[*:1] C[C@@H](Sc1ncn[nH]1)C(=O)Nc1ccccc1[*:1]
Cc1ccc(-c2csc(NC(=O)CN3CSCC3=O)n2)cc1 O=C1CSCN1C[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
Cc1ccc(-c2csc(NC(=O)CN3CSCC3=O)n2)cc1 O=C1CSCN1[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)C[*:1]
Cc1ccc(-c2csc(NC(=O)CN3CSCC3=O)n2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CSCC1=O)Nc1nc(cs1)[*:1]
COCCCNC(=O)/C(C#N)=C\C1=Cc2cc(Cl)cc(Cl)c2OC1 COCC[*:1] N#C/C(=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)NC[*:1]
COCCCNC(=O)/C(C#N)=C\C1=Cc2cc(Cl)cc(Cl)c2OC1 COCCCNC(=O)[*:1] N#CC(=CC1=Cc2cc(Cl)cc(Cl)c2OC1)[*:1]
COCCCNC(=O)/C(C#N)=C\C1=Cc2cc(Cl)cc(Cl)c2OC1 COC[*:1] N#C/C(=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)NCC[*:1]
COCCCNC(=O)/C(C#N)=C\C1=Cc2cc(Cl)cc(Cl)c2OC1 COCCC[*:1] N#C/C(=C/C1=Cc2cc(Cl)cc(Cl)c2OC1)C(=O)N[*:1]
Cc1ccncc1[C@H](F)C(=O)[O-] O=C([O-])[*:1] Cc1ccncc1[C@H](F)[*:1]
O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] O=C([C@H]1CCC[C@H](C1)C(F)(F)F)N1CCc2ccc(cc2C1)[*:1]
O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 FC(F)(F)[*:1] O=C([C@H]1CCC[C@@H](C1)[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O O=S(=O)(N1CCOCC1)[*:1] C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(Cc2cccc(c2)[*:1])C1=O
CC[C@@H](NCCc1nc(C)no1)c1ccc(F)cc1F Cc1noc(n1)[*:1] CC[C@@H](NCC[*:1])c1ccc(F)cc1F
O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCNC1=O FC(F)(F)[*:1] O=C(Cn1nnc(n1)-c1cccc(c1)[*:1])N1CCNC1=O
O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCNC1=O O=C1NCCN1C(=O)[*:1] FC(F)(F)c1cccc(c1)-c1nnn(C[*:1])n1
COC(=O)CN(C(C)C)S(=O)(=O)c1cc(C)ccc1C COC(=O)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N(C[*:1])C(C)C
COC(=O)CN(C(C)C)S(=O)(=O)c1cc(C)ccc1C CC(C)[*:1] COC(=O)CN(S(=O)(=O)c1cc(C)ccc1C)[*:1]
COC(=O)CN(C(C)C)S(=O)(=O)c1cc(C)ccc1C COC(=O)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N(C(C)C)[*:1]
Cc1nc2c(c(C)c1CCC(=O)NCc1ccc(=O)[nH]c1)c(=O)[nH]n2C O=c1ccc(c[nH]1)C[*:1] Cc1nc2c(c(C)c1CCC(=O)N[*:1])c(=O)[nH]n2C
Cc1nc2c(c(C)c1CCC(=O)NCc1ccc(=O)[nH]c1)c(=O)[nH]n2C O=c1ccc(c[nH]1)[*:1] Cc1nc2c(c(C)c1CCC(=O)NC[*:1])c(=O)[nH]n2C
COC(=O)[C@]1(N)CC[C@@H](N2CCn3cc[nH+]c3C2)C1 COC(=O)[*:1] N[C@@]1(CC[C@H](C1)N1CCn2cc[nH+]c2C1)[*:1]
O=C(CSc1cccc2cccnc12)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CSc1cccc2cccnc12)Nc1cccc(c1)[*:1]
COc1ccc(Cl)c(NNC(=O)c2cccc(NC(C)=O)c2)c1 CC(=O)N[*:1] COc1ccc(Cl)c(c1)NNC(=O)c1cccc(c1)[*:1]
Cc1cnc([C@H](C)NC(=O)NC[C@H](O)COc2ccc(F)cc2)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)NC[C@H](O)COc1ccc(F)cc1)[*:1]
Cc1cnc([C@H](C)NC(=O)NC[C@H](O)COc2ccc(F)cc2)s1 Fc1ccc(cc1)O[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NC[C@H](O)C[*:1]
Cc1cnc([C@H](C)NC(=O)NC[C@H](O)COc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)NC[C@H](O)CO[*:1]
Cn1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccco2)c1=O Cn1cccc(c1=O)[*:1] O=C(N[C@H](c1ccccc1)c1ccco1)C(=O)N[*:1]
Cn1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccco2)c1=O c1coc(c1)[*:1] Cn1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)[*:1])c1=O
Cn1cccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccco2)c1=O c1ccc(cc1)[*:1] Cn1cccc(NC(=O)C(=O)N[C@H](c2ccco2)[*:1])c1=O
C[NH2+][C@H](c1cc(OC)ccc1OC)[C@H](C)c1ccncc1 c1cc(ccn1)[*:1] C[NH2+][C@H](c1cc(ccc1OC)OC)[C@H](C)[*:1]
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(COC(=O)[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)NNC(=O)[*:1]
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NNC(=O)c1ccc(Cl)cc1 c1cc2OCCOc2cc1[*:1] O=C(COC(=O)[C@H]1CC(=O)N(C1)[*:1])NNC(=O)c1ccc(Cl)cc1
COCc1ccccc1NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 COCc1ccccc1[*:1] Cc1ccc(cc1)[C@H](CNC(=O)N[*:1])N1CCOCC1
COCc1ccccc1NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 C1CN(CCO1)[*:1] COCc1ccccc1NC(=O)NC[C@@H](c1ccc(C)cc1)[*:1]
COCc1ccccc1NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 COC[*:1] Cc1ccc(cc1)[C@H](CNC(=O)Nc1ccccc1[*:1])N1CCOCC1
COCc1ccccc1NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 Cc1ccc(cc1)[*:1] COCc1ccccc1NC(=O)NC[C@@H](N1CCOCC1)[*:1]
O=[N+]([O-])c1cccc(OS(=O)(=O)c2cc(F)cc(F)c2)c1 O=[N+]([O-])[*:1] O=S(=O)(Oc1cccc(c1)[*:1])c1cc(F)cc(F)c1
NS(=O)(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/N=C/c4ccco4)NC3=O)o2)cc1 c1coc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)-c1ccc(/C=C2/S/C(=N/N=C[*:1])NC2=O)o1
NS(=O)(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/N=C/c4ccco4)NC3=O)o2)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C1N/C(=N\N=C\c2ccco2)S/C1=C/c1ccc(o1)[*:1]
NS(=O)(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/N=C/c4ccco4)NC3=O)o2)cc1 NS(=O)(=O)[*:1] O=C1N/C(=N\N=C\c2ccco2)S/C1=C/c1ccc(o1)-c1ccc(cc1)[*:1]
COc1cc2c(cc1OC)CN(C(=O)CC[C@@H](C)O)CC2 C[C@@H](O)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)CC[*:1]
COc1cc2c(cc1OC)CN(C(=O)CC[C@@H](C)O)CC2 C[C@@H](O)C[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)C[*:1]
COc1cc2c(cc1OC)CN(C(=O)CC[C@@H](C)O)CC2 C[C@@H](O)CC[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)[*:1]
C[C@@H](NC[C@H](c1ccccc1)C(C)(C)CO)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] C[C@@H](NC[C@H](c1ccccc1)C(C)(C)CO)[*:1]
C[C@@H](NC[C@H](c1ccccc1)C(C)(C)CO)c1cc(F)ccc1F CC(C)(CO)[*:1] C[C@@H](NC[C@H](c1ccccc1)[*:1])c1cc(F)ccc1F
C[C@@H](NC[C@H](c1ccccc1)C(C)(C)CO)c1cc(F)ccc1F c1ccc(cc1)[*:1] C[C@@H](NC[C@H](C(C)(C)CO)[*:1])c1cc(F)ccc1F
COc1ccc(-c2nnn(CC(=O)OC3CCCCC3)n2)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)-c1nnn(CC(=O)O[*:1])n1
C=CCN(CC=C)C(=O)c1csc(Br)c1 C=CC[*:1] C=CCN(C(=O)c1csc(Br)c1)[*:1]
COc1ccc(C[S@@](=O)[C@H](C)C(=O)NC2CCCC2)c(Cl)c1 C1CCC(C1)[*:1] COc1ccc(C[S@@](=O)[C@H](C)C(=O)N[*:1])c(Cl)c1
CCn1/c(=N/C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)sc2cccc(OC)c21 c1ccc(cc1)[*:1] CCn1/c(=N/C(=O)[C@@H]2CCCN(C2)S(=O)(=O)[*:1])sc2cccc(OC)c21
c1ccc(-n2ncc(CNCCc3ccccn3)n2)cc1 c1ccc(C[*:1])nc1 c1ccc(cc1)-n1ncc(CNC[*:1])n1
c1ccc(-n2ncc(CNCCc3ccccn3)n2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)-n1ncc(CNCC[*:1])n1
c1ccc(-n2ncc(CNCCc3ccccn3)n2)cc1 c1ccc(cc1)[*:1] c1ccc(CCNCc2cnn(n2)[*:1])nc1
CC[C@H](NC(=O)C=C(C)C)c1ccccc1OC CC(C)=C[*:1] CC[C@H](NC(=O)[*:1])c1ccccc1OC
COc1cc(OC)cc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)c1 c1cc2OCOc2cc1[*:1] COc1cc(cc(c1)C(=O)OCc1nc(no1)[*:1])OC
Cc1nnc(-c2cccc(C(=O)NC(C)(C)c3cccc(F)c3)c2)o1 Cc1nnc(o1)[*:1] CC(C)(NC(=O)c1cccc(c1)[*:1])c1cccc(F)c1
Cc1nnc(-c2cccc(C(=O)NC(C)(C)c3cccc(F)c3)c2)o1 Fc1cccc(c1)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)NC(C)(C)[*:1]
CC[C@H](C)Nc1ccc(N)c(OC(C)C)n1 CC[C@H](C)[*:1] CC(C)Oc1nc(ccc1N)N[*:1]
CC[C@H](C)Nc1ccc(N)c(OC(C)C)n1 CC(C)O[*:1] CC[C@H](C)Nc1ccc(N)c(n1)[*:1]
CC[C@H](C)Nc1ccc(N)c(OC(C)C)n1 CC[C@H](C)N[*:1] CC(C)Oc1nc(ccc1N)[*:1]
CC[C@H](C)Nc1ccc(N)c(OC(C)C)n1 CC(C)[*:1] CC[C@H](C)Nc1ccc(N)c(n1)O[*:1]
O=C1N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)C1(F)F FC(F)(F)[*:1] O=C1N(c2cccc(c2)[*:1])[C@H](c2ccc(Cl)cc2)C1(F)F
O=C1N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)C1(F)F Clc1ccc(cc1)[*:1] O=C1N(c2cccc(c2)C(F)(F)F)[C@H](C1(F)F)[*:1]
Cc1cc(Sc2nnc(/N=C\N(C)C)s2)c2ccccc2n1 CN(C)C=N[*:1] Cc1cc(Sc2nnc(s2)[*:1])c2ccccc2n1
Cc1ccc(O[C@H](C)CNC(=O)c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)[*:1]
COc1ccc(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)cc1O COc1ccc(cc1O)[*:1] O=C(NCCN1CC[NH+](CC1)C[*:1])c1ccccc1F
COc1ccc(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)cc1O Fc1ccccc1[*:1] COc1ccc(cc1O)C[NH+]1CCN(CCNC(=O)[*:1])CC1
COc1ccc(CCNC(=O)CS(=O)(=O)c2nccs2)cc1 c1csc(n1)[*:1] COc1ccc(cc1)CCNC(=O)CS(=O)(=O)[*:1]
COc1ccc(C(=O)N(CC(C)C)CC(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)C(=O)N(CC(C)C)C[*:1]
COc1ccc(C(=O)N(CC(C)C)CC(C)C)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)C(=O)N(CC(C)C)[*:1]
O=C(NC1CCCCC1)C1CCN(C(=O)c2cc3cnsc3s2)CC1 C1CCC(CC1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cc2cnsc2s1
COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 COC(=O)[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CC[C@](F)(C1)[*:1]
C[C@H](NC(=O)[C@H]1CCCN(c2nc3c(F)cccc3s2)C1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2c(F)cccc2s1
C[C@H](NC(=O)[C@H]1CCCN(c2nc3c(F)cccc3s2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)c1nc2c(F)cccc2s1)[*:1]
Cc1nc2sc([C@H](c3cccs3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 c1csc(c1)[*:1] Cc1nc2sc(c([O-])n2n1)[C@H](N1CCN(CC1)c1cccc(Cl)c1)[*:1]
Cc1nc2sc([C@H](c3cccs3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 Clc1cccc(c1)[*:1] Cc1nc2sc(c([O-])n2n1)[C@H](c1cccs1)N1CCN(CC1)[*:1]
CCCCN(CC)C(=O)NC[C@@H]1COc2ccccc2O1 CCCC[*:1] CCN(C(=O)NC[C@@H]1COc2ccccc2O1)[*:1]
CCCCN(CC)C(=O)NC[C@@H]1COc2ccccc2O1 CCC[*:1] CCN(C[*:1])C(=O)NC[C@@H]1COc2ccccc2O1
CC[C@@H](CCO)C[NH2+][C@H]1CCc2cc(N)ccc21 OCC[*:1] CC[C@@H](C[NH2+][C@H]1CCc2cc(N)ccc21)[*:1]
CC[C@@H](CCO)C[NH2+][C@H]1CCc2cc(N)ccc21 CC[C@@H](CCO)[*:1] Nc1ccc2c(c1)CC[C@@H]2[NH2+]C[*:1]
C[C@@H]1CCCN(C(=O)Nc2cccc(-c3ncon3)c2)[C@@H]1CO c1nc(no1)[*:1] C[C@@H]1CCCN(C(=O)Nc2cccc(c2)[*:1])[C@@H]1CO
NC(=O)[C@@H]1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)C1 NC(=O)[*:1] O=C(c1cc2c(Cl)c(Cl)ccc2[nH]1)N1CC[C@H](C1)[*:1]
O=C1[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCN1[*:1])[NH2+]CC1(CCOCC1)c1ccccc1
O=C1[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCN1c1ccccc1)[NH2+]CC1(CCOCC1)[*:1]
Cc1cc(NC(=O)C(=O)N[C@H]2CCc3ccccc32)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[C@H]1CCc2ccccc21)C(=O)N[*:1]
C[C@@H]1CCC[C@@H](C)C1NC(=O)Cc1csc(-c2cccnc2)n1 c1cncc(c1)[*:1] C[C@@H]1CCC[C@@H](C)C1NC(=O)Cc1csc(n1)[*:1]
CCC(=O)c1ccc(OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 CCC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])NC[C@@H]1COc2ccccc2O1
O=C(/C=C/c1ccco1)NC(=S)N1CCCCCC1 c1coc(c1)[*:1] O=C(C=C[*:1])NC(=S)N1CCCCCC1
Cc1cnc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)cn1 Cc1cnc(cn1)[*:1] O=C(COC(=O)[*:1])Nc1ccc2ccccc2c1
COc1ccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1OC Cc1ccc(Cl)cc1[*:1] COc1ccc(cc1OC)Nc1ncnc2c1cnn2[*:1]
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCc2cc(F)ccc21 N#Cc1ccccc1[*:1] O=C(N[C@H]1CCc2cc(F)ccc21)c1ccccc1S[*:1]
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCc2cc(F)ccc21 N#Cc1ccccc1S[*:1] O=C(N[C@H]1CCc2cc(F)ccc21)c1ccccc1[*:1]
CC[C@H](CO)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 O=[N+]([O-])[*:1] CC[C@H](CO)[NH+]1CCN(CC1)[C@@H](C)C(=O)Nc1ccc(cc1C)[*:1]
CCN1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)CC1=O C1CCC(C1)O[*:1] CCN1C[C@H](CC1=O)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCN1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)CC1=O C1CCC(C1)[*:1] CCN1C[C@H](CC1=O)C(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
O=C(CSCC(F)(F)F)NCc1cc[nH+]c(N2CCCCCC2)c1 FC(F)(F)CS[*:1] O=C(C[*:1])NCc1cc[nH+]c(c1)N1CCCCCC1
O=C(CSCC(F)(F)F)NCc1cc[nH+]c(N2CCCCCC2)c1 FC(F)(F)[*:1] O=C(CSC[*:1])NCc1cc[nH+]c(c1)N1CCCCCC1
O=C(CSCC(F)(F)F)NCc1cc[nH+]c(N2CCCCCC2)c1 C1CCCN(CC1)[*:1] O=C(CSCC(F)(F)F)NCc1cc[nH+]c(c1)[*:1]
O=C(CSCC(F)(F)F)NCc1cc[nH+]c(N2CCCCCC2)c1 FC(F)(F)C[*:1] O=C(CS[*:1])NCc1cc[nH+]c(c1)N1CCCCCC1
O=C(CSCC(F)(F)F)NCc1cc[nH+]c(N2CCCCCC2)c1 FC(F)(F)CSC[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCCC1)[*:1]
Cc1cc(C[C@@H](C)NC(=O)c2cc(C(C)C)on2)[nH]n1 CC(C)[*:1] Cc1cc(C[C@@H](C)NC(=O)c2cc(on2)[*:1])[nH]n1
Cc1cc(C[C@@H](C)NC(=O)c2cc(C(C)C)on2)[nH]n1 Cc1cc([nH]n1)[*:1] CC(C)c1cc(no1)C(=O)N[C@H](C)C[*:1]
CC[C@@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)[*:1]
CC(C)c1nc(CN2CCN(C(=O)c3ccc(O)cc3)CC2)no1 CC(C)c1nc(no1)[*:1] O=C(c1ccc(O)cc1)N1CCN(CC1)C[*:1]
CC(C)c1nc(CN2CCN(C(=O)c3ccc(O)cc3)CC2)no1 Oc1ccc(cc1)[*:1] CC(C)c1nc(CN2CCN(CC2)C(=O)[*:1])no1
CC(C)c1nc(CN2CCN(C(=O)c3ccc(O)cc3)CC2)no1 CC(C)[*:1] O=C(c1ccc(O)cc1)N1CCN(CC1)Cc1noc(n1)[*:1]
O=C1[C@H](N2CCOC3(CCCC3)C2)CCN1C1CC1 C1CC1[*:1] O=C1[C@@H](CCN1[*:1])N1CCOC2(CCCC2)C1
CN(Cc1ccccc1OC(F)(F)F)[C@@H](C(N)=O)c1ccc(F)cc1 NC(=O)[*:1] CN(Cc1ccccc1OC(F)(F)F)[C@@H](c1ccc(F)cc1)[*:1]
CN(Cc1ccccc1OC(F)(F)F)[C@@H](C(N)=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1ccccc1OC(F)(F)F)[C@@H](C(N)=O)[*:1]
CN(Cc1ccccc1OC(F)(F)F)[C@@H](C(N)=O)c1ccc(F)cc1 FC(F)(F)[*:1] CN(Cc1ccccc1O[*:1])[C@@H](C(N)=O)c1ccc(F)cc1
CN(Cc1ccccc1OC(F)(F)F)[C@@H](C(N)=O)c1ccc(F)cc1 FC(F)(F)O[*:1] CN(Cc1ccccc1[*:1])[C@@H](C(N)=O)c1ccc(F)cc1
COc1cc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)nc2)cc(OC)c1OC Cc1ccc(cc1)S(=O)(=O)[*:1] COc1cc(cc(OC)c1OC)NC(=O)c1ccc(nc1)[*:1]
COc1cc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)nc2)cc(OC)c1OC Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)c1ccc(nc1)S(=O)(=O)[*:1]
Cc1c(F)cccc1NC(=O)NCCCc1nc2ccccc2[nH]1 Cc1c(F)cccc1[*:1] O=C(NCCCc1nc2ccccc2[nH]1)N[*:1]
c1cc2c(cc1[C@H]1OCC[C@H]1C[NH2+]C1CC1)CCO2 C1CC1[*:1] c1cc2OCCc2cc1[C@H]1OCC[C@H]1C[NH2+][*:1]
CCC[C@H](CCO)CNc1ccc(Cl)c(C#N)n1 CCC[*:1] N#Cc1nc(ccc1Cl)NC[C@@H](CCO)[*:1]
CCC[C@H](CCO)CNc1ccc(Cl)c(C#N)n1 OCC[*:1] CCC[C@H](CNc1ccc(Cl)c(C#N)n1)[*:1]
C#CCN1CCN(CC(=O)N(C2CCC(C)CC2)C2CC2)CC1 C1CC1[*:1] C#CCN1CCN(CC1)CC(=O)N(C1CCC(C)CC1)[*:1]
C#CCN1CCN(CC(=O)N(C2CCC(C)CC2)C2CC2)CC1 C#CC[*:1] CC1CCC(CC1)N(C(=O)CN1CCN(CC1)[*:1])C1CC1
C#CCN1CCN(CC(=O)N(C2CCC(C)CC2)C2CC2)CC1 CC1CCC(CC1)[*:1] C#CCN1CCN(CC1)CC(=O)N(C1CC1)[*:1]
C[C@@H]1CCC[C@H](CNC(=O)c2nccnc2C(N)=O)C1 NC(=O)[*:1] C[C@@H]1CCC[C@H](CNC(=O)c2nccnc2[*:1])C1
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C=C1CCCCC1 C(=C1CCCCC1)[*:1] CCN(CC(=O)Nc1ccc2OCCOc2c1)C(=O)[*:1]
CCN[C@H](c1cccc(Cl)c1)[C@H]1C[NH+]2CCN1CC2 CCN[*:1] Clc1cccc(c1)[C@H]([C@H]1C[NH+]2CCN1CC2)[*:1]
CCCNC(=O)NCCc1cccc2ccccc12 CCC[*:1] O=C(NCCc1cccc2ccccc12)N[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)Oc1ccc2ccc(=O)oc2c1 CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CC(=O)Oc1ccc2ccc(=O)oc2c1
Cc1nn(CC(C)C)c(C)c1CC(=O)Oc1ccc2ccc(=O)oc2c1 CC(C)C[*:1] Cc1nn(c(C)c1CC(=O)Oc1ccc2ccc(=O)oc2c1)[*:1]
O=C(N[C@H]1C[C@@H]1c1ccccc1F)c1cccc(OCC(F)F)n1 FC(F)[*:1] O=C(N[C@H]1C[C@@H]1c1ccccc1F)c1cccc(n1)OC[*:1]
O=C(N[C@H]1C[C@@H]1c1ccccc1F)c1cccc(OCC(F)F)n1 Fc1ccccc1[*:1] O=C(N[C@H]1C[C@H]1[*:1])c1cccc(n1)OCC(F)F
O=C(N[C@H]1C[C@@H]1c1ccccc1F)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] O=C(N[C@H]1C[C@@H]1c1ccccc1F)c1cccc(n1)[*:1]
O=C(N[C@H]1C[C@@H]1c1ccccc1F)c1cccc(OCC(F)F)n1 FC(F)C[*:1] O=C(N[C@H]1C[C@@H]1c1ccccc1F)c1cccc(n1)O[*:1]
O=C(NCCCc1ccccc1)c1cccnc1Cl c1ccc(cc1)[*:1] O=C(NCCC[*:1])c1cccnc1Cl
C[C@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)N(CCC(F)(F)F)CC1CC1)[*:1]
C[C@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cnn(C)c1 FC(F)(F)C[*:1] C[C@H](NC(=O)N(CC1CC1)C[*:1])c1cnn(C)c1
C[C@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cnn(C)c1 C1CC1C[*:1] C[C@H](NC(=O)N(CCC(F)(F)F)[*:1])c1cnn(C)c1
C[C@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cnn(C)c1 C1CC1[*:1] C[C@H](NC(=O)N(CCC(F)(F)F)C[*:1])c1cnn(C)c1
C[C@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cnn(C)c1 FC(F)(F)CC[*:1] C[C@H](NC(=O)N(CC1CC1)[*:1])c1cnn(C)c1
C[C@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1cnn(C)c1 FC(F)(F)[*:1] C[C@H](NC(=O)N(CC[*:1])CC1CC1)c1cnn(C)c1
CSCC[C@H](Nc1ncnc2cc(C(=O)[O-])ccc12)C(=O)[O-] CSC[*:1] O=C([O-])c1ccc2c(ncnc2c1)N[C@@H](C[*:1])C(=O)[O-]
CSCC[C@H](Nc1ncnc2cc(C(=O)[O-])ccc12)C(=O)[O-] O=C([O-])[*:1] CSCC[C@H](Nc1ncnc2cc(ccc12)[*:1])C(=O)[O-]
CSCC[C@H](Nc1ncnc2cc(C(=O)[O-])ccc12)C(=O)[O-] O=C([O-])[*:1] CSCC[C@H](Nc1ncnc2cc(ccc12)C(=O)[O-])[*:1]
CSCC[C@H](Nc1ncnc2cc(C(=O)[O-])ccc12)C(=O)[O-] CSCC[*:1] O=C([O-])c1ccc2c(ncnc2c1)N[C@H](C(=O)[O-])[*:1]
COc1cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])CN1CCC[C@H](C1)c1nnc2CCCn21
COc1cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])CN1CCC[C@H](C1)c1nnc2CCCn21
COc1cc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1OC(C)C C1Cc2nnc(n2C1)[*:1] COc1cc(ccc1OC(C)C)CN1CCC[C@@H](C1)[*:1]
CCCCCNC(=O)CSc1nc2cc(C)ccc2o1 CCCCC[*:1] Cc1ccc2oc(nc2c1)SCC(=O)N[*:1]
CCCCCNC(=O)CSc1nc2cc(C)ccc2o1 CCCC[*:1] Cc1ccc2oc(nc2c1)SCC(=O)NC[*:1]
CCCCCNC(=O)CSc1nc2cc(C)ccc2o1 CCC[*:1] Cc1ccc2oc(nc2c1)SCC(=O)NCC[*:1]
CCCc1nc(C)c(C(=O)N[C@H]2CCCC[C@@H]2C(=O)OC)s1 CCC[*:1] COC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1sc(nc1C)[*:1]
CCCc1nc(C)c(C(=O)N[C@H]2CCCC[C@@H]2C(=O)OC)s1 COC(=O)[*:1] CCCc1nc(C)c(s1)C(=O)N[C@H]1CCCC[C@H]1[*:1]
C[C@H](CNC(=O)C1(O)Cc2ccccc2C1)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@H](CNC(=O)C1(O)Cc2ccccc2C1)[*:1]
C[C@H](CNC(=O)C1(O)Cc2ccccc2C1)Oc1ccccc1F Fc1ccccc1[*:1] C[C@H](CNC(=O)C1(O)Cc2ccccc2C1)O[*:1]
CC[NH2+][C@@H]1CCCCCC[C@H]1OC(C)C CC(C)O[*:1] CC[NH2+][C@@H]1CCCCCC[C@@H]1[*:1]
CC[NH2+][C@@H]1CCCCCC[C@H]1OC(C)C CC(C)[*:1] CC[NH2+][C@@H]1CCCCCC[C@H]1O[*:1]
Cc1cccc(CS(=O)(=O)c2nnc(NC(=O)Cc3cccc4ccccc34)s2)c1 Cc1cccc(c1)[*:1] O=C(Cc1cccc2ccccc12)Nc1nnc(s1)S(=O)(=O)C[*:1]
Cc1cccc(CS(=O)(=O)c2nnc(NC(=O)Cc3cccc4ccccc34)s2)c1 Cc1cccc(c1)C[*:1] O=C(Cc1cccc2ccccc12)Nc1nnc(s1)S(=O)(=O)[*:1]
Cc1cccc(CS(=O)(=O)c2nnc(NC(=O)Cc3cccc4ccccc34)s2)c1 c1ccc2c(cccc2c1)[*:1] Cc1cccc(c1)CS(=O)(=O)c1nnc(NC(=O)C[*:1])s1
COCc1cccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 COC[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NS(=O)(=O)c1cccc(c1)[*:1]
CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C CC[C@@H](C)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)[C@@H](C)Oc1ccccc1[*:1]
CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(c1C)[*:1]
O=C(CCCn1ccnn1)N1CCC[C@@H](c2ccccc2)CC1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCC[C@H](CC1)c1ccccc1
O=C(CCCn1ccnn1)N1CCC[C@@H](c2ccccc2)CC1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCC[C@H](CC1)c1ccccc1
O=C(CCCn1ccnn1)N1CCC[C@@H](c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCCn1ccnn1)N1CCC[C@@H](CC1)[*:1]
O=C(CCCn1ccnn1)N1CCC[C@@H](c2ccccc2)CC1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CCC[C@H](CC1)c1ccccc1
C/C=C/S(=O)(=O)Cc1ccccc1 CC=C[*:1] O=S(=O)(Cc1ccccc1)[*:1]
CS/C(=C(/C#N)S(=O)(=O)c1ccc(C)cc1)N1CC[C@@H]([NH3+])C1 Cc1ccc(cc1)[*:1] CS/C(=C(/C#N)S(=O)(=O)[*:1])N1CC[C@@H]([NH3+])C1
Cn1nc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)ccc1=O Clc1cccc(c1)[*:1] Cn1nc(ccc1=O)C(=O)Nc1nnc(s1)[*:1]
Cc1ccc(-c2nc(CNS(=O)(=O)CC3CCCCC3)co2)cc1 C1CCC(CC1)C[*:1] Cc1ccc(cc1)-c1nc(co1)CNS(=O)(=O)[*:1]
Cc1ccc(-c2nc(CNS(=O)(=O)CC3CCCCC3)co2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(CC1CCCCC1)NCc1coc(n1)[*:1]
Cc1ccc(-c2nc(CNS(=O)(=O)CC3CCCCC3)co2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)-c1nc(co1)CNS(=O)(=O)C[*:1]
O=C([O-])C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C([O-])C[C@@H](NC(=O)c1cc(on1)-c1ccc(F)cc1)[*:1]
O=C([O-])C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1cccc(Br)c1 O=C([O-])[*:1] O=C(N[C@H](C[*:1])c1cccc(Br)c1)c1cc(on1)-c1ccc(F)cc1
O=C([O-])C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1cccc(Br)c1 O=C([O-])C[*:1] O=C(N[C@@H](c1cccc(Br)c1)[*:1])c1cc(on1)-c1ccc(F)cc1
O=C([O-])C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1cccc(Br)c1 Fc1ccc(cc1)[*:1] O=C([O-])C[C@@H](NC(=O)c1cc(on1)[*:1])c1cccc(Br)c1
CCN(C(=O)NCC(=O)[O-])C1CCCCC1 O=C([O-])[*:1] CCN(C(=O)NC[*:1])C1CCCCC1
CCN(C(=O)NCC(=O)[O-])C1CCCCC1 O=C([O-])C[*:1] CCN(C(=O)N[*:1])C1CCCCC1
COc1ncccc1C(=O)OCCc1cn[nH]c1 c1n[nH]cc1C[*:1] COc1ncccc1C(=O)OC[*:1]
COc1ncccc1C(=O)OCCc1cn[nH]c1 c1n[nH]cc1[*:1] COc1ncccc1C(=O)OCC[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)c12 C1CC1[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3ccc(c(Cl)c3)[N+](=O)[O-])c12)[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)c12 O=[N+]([O-])[*:1] Cc1nn(C)c2nc(cc(C(=O)Nc3ccc(c(Cl)c3)[*:1])c12)C1CC1
COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c(Br)cc1O C1CC1[*:1] COc1cc(c(Br)cc1O)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
CC(C)c1cc(C(=O)N(C)Cc2ccc(C#N)cc2)n(C)n1 CC(C)[*:1] CN(Cc1ccc(C#N)cc1)C(=O)c1cc(nn1C)[*:1]
COc1ccc(NC(=O)NCCC(=O)Nc2ccccc2N2CCCC2=O)cc1 O=C1CCCN1[*:1] COc1ccc(cc1)NC(=O)NCCC(=O)Nc1ccccc1[*:1]
COc1ccc(NC(=O)NCCC(=O)Nc2ccccc2N2CCCC2=O)cc1 COc1ccc(cc1)[*:1] O=C(CCNC(=O)N[*:1])Nc1ccccc1N1CCCC1=O
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)N[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])C(=O)N[C@@H]1CCS(=O)(=O)C1
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)N[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=C(N[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N[C@H](C)[*:1]
Cc1ccc(N2C(=O)CCC2=O)cc1NC(=O)CCC(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)CC[*:1])N1C(=O)CCC1=O
Cc1ccc(N2C(=O)CCC2=O)cc1NC(=O)CCC(F)(F)F O=C1CCC(=O)N1[*:1] Cc1ccc(cc1NC(=O)CCC(F)(F)F)[*:1]
Cc1ccc(N2C(=O)CCC2=O)cc1NC(=O)CCC(F)(F)F FC(F)(F)C[*:1] Cc1ccc(cc1NC(=O)C[*:1])N1C(=O)CCC1=O
Cc1ccc(N2C(=O)CCC2=O)cc1NC(=O)CCC(F)(F)F FC(F)(F)CC[*:1] Cc1ccc(cc1NC(=O)[*:1])N1C(=O)CCC1=O
Cc1ccccc1COC1CCN(C(=O)c2cccc3[nH]ccc23)CC1 Cc1ccccc1C[*:1] O=C(c1cccc2[nH]ccc12)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccc3[nH]ccc23)CC1 Cc1ccccc1[*:1] O=C(c1cccc2[nH]ccc12)N1CCC(CC1)OC[*:1]
COC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 O=[N+]([O-])[*:1] COC1CCN(CC1)C(=O)c1ccc(c(O)c1)[*:1]
CC[C@H](C)NC(=O)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] CC[C@H](C)NC(=O)C[*:1] O=C(NC[*:1])c1nn(cc1[O-])-c1ccc(F)cc1
CC[C@H](C)NC(=O)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] CC[C@H](C)[*:1] O=C(CCNC(=O)c1nn(cc1[O-])-c1ccc(F)cc1)N[*:1]
CC[C@H](C)NC(=O)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] Fc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)CCNC(=O)c1nn(cc1[O-])[*:1]
CC[C@H](C)NC(=O)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] CC[C@H](C)NC(=O)[*:1] O=C(NCC[*:1])c1nn(cc1[O-])-c1ccc(F)cc1
CC[C@H]1c2ccsc2CCN1C(=O)CC[C@H](C)O C[C@H](O)[*:1] CC[C@H]1c2ccsc2CCN1C(=O)CC[*:1]
CC[C@H]1c2ccsc2CCN1C(=O)CC[C@H](C)O C[C@H](O)C[*:1] CC[C@H]1c2ccsc2CCN1C(=O)C[*:1]
CC[C@H]1c2ccsc2CCN1C(=O)CC[C@H](C)O C[C@H](O)CC[*:1] CC[C@H]1c2ccsc2CCN1C(=O)[*:1]
CC(C)=CCS(=O)(=O)Cc1csc(CCC(C)C)n1 CC(C)C[*:1] CC(C)=CCS(=O)(=O)Cc1csc(C[*:1])n1
CC(C)=CCS(=O)(=O)Cc1csc(CCC(C)C)n1 CC(C)=CC[*:1] CC(C)CCc1nc(cs1)CS(=O)(=O)[*:1]
CC(C)=CCS(=O)(=O)Cc1csc(CCC(C)C)n1 CC(C)=C[*:1] CC(C)CCc1nc(cs1)CS(=O)(=O)C[*:1]
CC(C)=CCS(=O)(=O)Cc1csc(CCC(C)C)n1 CC(C)[*:1] CC(C)=CCS(=O)(=O)Cc1csc(CC[*:1])n1
CC(C)=CCS(=O)(=O)Cc1csc(CCC(C)C)n1 CC(C)CC[*:1] CC(C)=CCS(=O)(=O)Cc1csc(n1)[*:1]
CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccc(C)cc4)cc3C2=O)c1 Cc1ccc(cc1)C(=O)[*:1] CC(=O)c1cccc(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)O[C@H](C)[*:1]
CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccc(C)cc4)cc3C2=O)c1 Cc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)O[C@H](C)C(=O)[*:1]
CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccc(C)cc4)cc3C2=O)c1 CC(=O)[*:1] Cc1ccc(cc1)C(=O)[C@@H](C)OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1)[*:1]
CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccc(C)cc4)cc3C2=O)c1 CC(=O)c1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)[C@@H](C)OC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CCCCC(=O)NNc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3 CCCC[*:1] Cn1c(nc2sc3COC(C)(C)Cc3c2c1=O)NNC(=O)[*:1]
CCCCC(=O)NNc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3 CCCCC(=O)NN[*:1] Cn1c(nc2sc3COC(C)(C)Cc3c2c1=O)[*:1]
CCCCC(=O)NNc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3 CCC[*:1] Cn1c(nc2sc3COC(C)(C)Cc3c2c1=O)NNC(=O)C[*:1]
COc1ccc(Cl)cc1N1C[C@@H](C(=O)N(C)OC)CC1=O CON(C)C(=O)[*:1] COc1ccc(Cl)cc1N1C[C@@H](CC1=O)[*:1]
C[C@H](CO)NC(=O)NC[C@@H]1CCCO1 C[C@H](CO)[*:1] O=C(NC[C@@H]1CCCO1)N[*:1]
Cc1nc(NC2CCN(S(=O)(=O)C3CC3)CC2)c2cc[nH]c2n1 C1CC1[*:1] Cc1nc(NC2CCN(CC2)S(=O)(=O)[*:1])c2cc[nH]c2n1
COc1ccc(-n2nc(C(=O)Nc3cc(C4CC4)nc(C)n3)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1nc(cc(n1)C1CC1)NC(=O)c1cc(C)n(n1)[*:1]
COc1ccc(-n2nc(C(=O)Nc3cc(C4CC4)nc(C)n3)cc2C)cc1 C1CC1[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)Nc1cc(nc(C)n1)[*:1]
CCn1cc(C(=O)NNc2ccccc2)c(=O)c2cc(F)ccc21 c1ccc(cc1)[*:1] CCn1cc(C(=O)NN[*:1])c(=O)c2cc(F)ccc21
C[C@H](NC(=O)N[C@H](C)C[NH+]1CCCCC1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)N[C@H](C)C[NH+]1CCCCC1)[*:1]
[NH3+]CCc1cn(Cc2cc(Cl)ccc2Cl)cn1 [NH3+]CC[*:1] Clc1ccc(Cl)c(c1)Cn1cnc(c1)[*:1]
NC(=O)c1cn[nH]c1NC(=O)Cc1cccc2ccccc12 NC(=O)[*:1] O=C(Cc1cccc2ccccc12)Nc1[nH]ncc1[*:1]
CC(C)N(CC(N)=O)C(=O)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)CO[*:1] CC(C)N(CC(N)=O)C(=O)c1cccc(c1)[*:1]
CC(C)N(CC(N)=O)C(=O)c1cccc(OCc2ccccc2)c1 CC(C)[*:1] NC(=O)CN(C(=O)c1cccc(c1)OCc1ccccc1)[*:1]
CC(C)N(CC(N)=O)C(=O)c1cccc(OCc2ccccc2)c1 NC(=O)[*:1] CC(C)N(C[*:1])C(=O)c1cccc(c1)OCc1ccccc1
CC(C)N(CC(N)=O)C(=O)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)N(CC(N)=O)C(=O)c1cccc(c1)OC[*:1]
CC(C)N(CC(N)=O)C(=O)c1cccc(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(C)N(CC(N)=O)C(=O)c1cccc(c1)O[*:1]
CC(C)N(CC(N)=O)C(=O)c1cccc(OCc2ccccc2)c1 NC(=O)C[*:1] CC(C)N(C(=O)c1cccc(c1)OCc1ccccc1)[*:1]
COCc1cccc(CNC(=O)Nc2c[nH]nc2-c2ccccn2)c1 COC[*:1] O=C(NCc1cccc(c1)[*:1])Nc1c[nH]nc1-c1ccccn1
COCc1cccc(CNC(=O)Nc2c[nH]nc2-c2ccccn2)c1 c1ccc(nc1)[*:1] COCc1cccc(c1)CNC(=O)Nc1c[nH]nc1[*:1]
COCC(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 COCC(=O)N[*:1] c1c(C[*:1])nn2CCC[NH+](Cc12)C1CCCCC1
COCC(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 C1CCC(CC1)[*:1] COCC(=O)NCc1cc2C[NH+](CCCn2n1)[*:1]
COCC(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 COC[*:1] O=C(NCc1cc2C[NH+](CCCn2n1)C1CCCCC1)[*:1]
COCC(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 COCC(=O)NC[*:1] c1c(nn2CCC[NH+](Cc12)C1CCCCC1)[*:1]
CCOc1ccccc1C1=C[C@@H](C(=O)N/N=C/c2ccc(F)cc2)N=N1 Fc1ccc(cc1)[*:1] CCOc1ccccc1C1=C[C@H](N=N1)C(=O)NN=C[*:1]
CCOc1ccccc1C1=C[C@@H](C(=O)N/N=C/c2ccc(F)cc2)N=N1 CCO[*:1] O=C(N/N=C/c1ccc(F)cc1)[C@@H]1C=C(N=N1)c1ccccc1[*:1]
Cc1csc([C@H]([NH2+][C@@H](C)c2nc3cc(Cl)ccc3n2C)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H]([NH2+][C@@H](C)c1nc2cc(Cl)ccc2n1C)[*:1]
Cc1csc([C@H]([NH2+][C@@H](C)c2nc3cc(Cl)ccc3n2C)C2CC2)n1 Cc1csc(n1)[*:1] C[C@H]([NH2+][C@H](C1CC1)[*:1])c1nc2cc(Cl)ccc2n1C
Cc1cc2c(N3CCC[C@H]3CNC(=O)OC(C)(C)C)ncnc2s1 CC(C)(C)OC(=O)N[*:1] Cc1cc2c(ncnc2s1)N1CCC[C@H]1C[*:1]
Cc1cc2c(N3CCC[C@H]3CNC(=O)OC(C)(C)C)ncnc2s1 CC(C)(C)[*:1] Cc1cc2c(ncnc2s1)N1CCC[C@H]1CNC(=O)O[*:1]
N#CCOc1cccc(CC(=O)Nc2ccc(O)c(C(F)(F)F)c2)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])Nc1ccc(O)c(c1)C(F)(F)F
N#CCOc1cccc(CC(=O)Nc2ccc(O)c(C(F)(F)F)c2)c1 FC(F)(F)[*:1] N#CCOc1cccc(c1)CC(=O)Nc1ccc(O)c(c1)[*:1]
N#CCOc1cccc(CC(=O)Nc2ccc(O)c(C(F)(F)F)c2)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])Nc1ccc(O)c(c1)C(F)(F)F
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCN(C1)[*:1]
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 O=C([O-])[*:1] O=C(N[C@@H]1CCN(C1)c1cccc(Cl)c1)[C@@H]1CC=CC[C@@H]1[*:1]
CC[C@H](NC(=O)N[C@H](c1nc(C)cs1)C1CC1)c1c(C)nn(C)c1C Cc1csc(n1)[*:1] CC[C@H](NC(=O)N[C@H](C1CC1)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)N[C@H](c1nc(C)cs1)C1CC1)c1c(C)nn(C)c1C C1CC1[*:1] CC[C@H](NC(=O)N[C@H](c1nc(C)cs1)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)N[C@H](c1nc(C)cs1)C1CC1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)N[C@H](c1nc(C)cs1)C1CC1)[*:1]
CCCCOc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 CCCC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)O[*:1]
CCCCOc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 CCCCO[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)[*:1]
CCCCOc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)OC[*:1]
CC(C)(C)[C@H](NC(=O)COc1ccc(F)c(Cl)c1)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)[*:1]
CC(C)(C)[C@H](NC(=O)COc1ccc(F)c(Cl)c1)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NC(=O)COc1ccc(F)c(Cl)c1)[*:1]
CC(C)[C@@H](O)c1ccn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 CC(C)[*:1] CS(=O)(=O)N1CCC[C@H](C1)Cn1ccc(c1)[C@H](O)[*:1]
CC(C)[C@@H](O)c1ccn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c1 CC(C)[C@@H](O)[*:1] CS(=O)(=O)N1CCC[C@H](C1)Cn1ccc(c1)[*:1]
CC(C)c1cc(C[NH2+][C@@H](c2cccnc2)C(C)C)on1 c1cncc(c1)[*:1] CC(C)c1cc(C[NH2+][C@@H](C(C)C)[*:1])on1
CC(C)c1cc(C[NH2+][C@@H](c2cccnc2)C(C)C)on1 CC(C)[*:1] CC(C)[C@@H]([NH2+]Cc1cc(no1)[*:1])c1cccnc1
CC(C)c1cc(C[NH2+][C@@H](c2cccnc2)C(C)C)on1 CC(C)[*:1] CC(C)c1cc(C[NH2+][C@@H](c2cccnc2)[*:1])on1
CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C(C)C)s1 CC(C)C(=O)N[*:1] CNC(=O)CSc1nc(-c2ccccc2)c(s1)[*:1]
CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C(C)C)s1 CNC(=O)CS[*:1] CC(C)C(=O)Nc1sc(nc1-c1ccccc1)[*:1]
CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C(C)C)s1 c1ccc(cc1)[*:1] CNC(=O)CSc1nc(c(NC(=O)C(C)C)s1)[*:1]
CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C(C)C)s1 CNC(=O)[*:1] CC(C)C(=O)Nc1sc(nc1-c1ccccc1)SC[*:1]
CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C(C)C)s1 CC(C)[*:1] CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)[*:1])s1
CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C(C)C)s1 CNC(=O)C[*:1] CC(C)C(=O)Nc1sc(nc1-c1ccccc1)S[*:1]
CC[NH2+][C@H](Cc1ccccn1)[C@H]1CCOC2(CCC2)C1 c1ccc(nc1)[*:1] CC[NH2+][C@H](C[*:1])[C@H]1CCOC2(CCC2)C1
CC[C@@H](N[C@H](C)c1ccc(F)cn1)c1nccs1 c1csc(n1)[*:1] CC[C@@H](N[C@H](C)c1ccc(F)cn1)[*:1]
CCCc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)C(=O)N1CC[C@H](C1)[NH+]1CCCC1)[*:1]
CC(=O)CCc1ccc(OC(=O)[C@@H](C)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CC(=O)CCc1ccc(cc1)OC(=O)[C@@H](C)[*:1]
CC(=O)CCc1ccc(OC(=O)[C@@H](C)c2cccc(F)c2)cc1 CC(=O)CC[*:1] C[C@H](C(=O)Oc1ccc(cc1)[*:1])c1cccc(F)c1
CC(=O)CCc1ccc(OC(=O)[C@@H](C)c2cccc(F)c2)cc1 CC(=O)[*:1] C[C@H](C(=O)Oc1ccc(cc1)CC[*:1])c1cccc(F)c1
CC(=O)CCc1ccc(OC(=O)[C@@H](C)c2cccc(F)c2)cc1 CC(=O)C[*:1] C[C@H](C(=O)Oc1ccc(cc1)C[*:1])c1cccc(F)c1
Cc1ccccc1CC(=O)Nc1ccccc1-n1ccnc1 c1cn(cn1)[*:1] Cc1ccccc1CC(=O)Nc1ccccc1[*:1]
Cc1ccccc1CC(=O)Nc1ccccc1-n1ccnc1 Cc1ccccc1[*:1] O=C(C[*:1])Nc1ccccc1-n1ccnc1
Cc1ccc(-n2nc(C)c3c4c(cnc32)C(=O)N(c2ccc(OC(F)(F)F)cc2)C4=O)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)-n1nc(C)c2c3C(=O)N(C(=O)c3cnc21)c1ccc(cc1)O[*:1]
Cc1ccc(-n2nc(C)c3c4c(cnc32)C(=O)N(c2ccc(OC(F)(F)F)cc2)C4=O)cc1C FC(F)(F)Oc1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1nc(C)c2c3C(=O)N(C(=O)c3cnc21)[*:1]
Cc1ccc(-n2nc(C)c3c4c(cnc32)C(=O)N(c2ccc(OC(F)(F)F)cc2)C4=O)cc1C FC(F)(F)O[*:1] Cc1ccc(cc1C)-n1nc(C)c2c3C(=O)N(C(=O)c3cnc21)c1ccc(cc1)[*:1]
Cc1ccc(-n2nc(C)c3c4c(cnc32)C(=O)N(c2ccc(OC(F)(F)F)cc2)C4=O)cc1C Cc1ccc(cc1C)[*:1] Cc1nn(c2ncc3C(=O)N(C(=O)c3c12)c1ccc(cc1)OC(F)(F)F)[*:1]
Clc1cc(CSc2nnc(C3=c4ccccc4=[NH+]C3)n2C2CC2)cc2c1OCCO2 C1CC1[*:1] Clc1cc(cc2OCCOc12)CSc1nnc(C2C[NH+]=c3ccccc3=2)n1[*:1]
COc1cc(OC)cc(-n2nnnc2C[NH+](C)CC2CCC2)c1 C1CC(C1)C[*:1] COc1cc(cc(c1)-n1nnnc1C[NH+](C)[*:1])OC
COc1cc(OC)cc(-n2nnnc2C[NH+](C)CC2CCC2)c1 C1CC(C1)[*:1] COc1cc(cc(c1)-n1nnnc1C[NH+](C)C[*:1])OC
O=C(C[NH+]1CCN(CC(=O)N2CCOCC2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 O=C(N1CCOCC1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])Nc1cc(ccc1-n1cncn1)C(F)(F)F
O=C(C[NH+]1CCN(CC(=O)N2CCOCC2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 O=C(C[*:1])N1CCOCC1 O=C(C[NH+]1CCN(CC1)[*:1])Nc1cc(ccc1-n1cncn1)C(F)(F)F
O=C(C[NH+]1CCN(CC(=O)N2CCOCC2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 c1ncn(n1)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N1CCOCC1)Nc1cc(ccc1[*:1])C(F)(F)F
O=C(C[NH+]1CCN(CC(=O)N2CCOCC2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 FC(F)(F)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N1CCOCC1)Nc1cc(ccc1-n1cncn1)[*:1]
COc1cc(CN(C)C(=O)CSC(C)(C)C)ccc1SC CC(C)(C)S[*:1] COc1cc(ccc1SC)CN(C)C(=O)C[*:1]
COc1cc(CN(C)C(=O)CSC(C)(C)C)ccc1SC CC(C)(C)SC[*:1] COc1cc(ccc1SC)CN(C)C(=O)[*:1]
COc1cc(CN(C)C(=O)CSC(C)(C)C)ccc1SC CC(C)(C)[*:1] COc1cc(ccc1SC)CN(C)C(=O)CS[*:1]
O=C(NC[C@H]1CCCO1)NNC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] O=C(NC[C@H]1CCCO1)NNC(=O)c1cccc(c1)[*:1]
O=C(NC[C@H]1CCCO1)NNC(=O)c1cccc(-c2ccoc2)c1 C1CO[C@H](C1)[*:1] O=C(NC[*:1])NNC(=O)c1cccc(c1)-c1ccoc1
O=C(NC[C@H]1CCCO1)NNC(=O)c1cccc(-c2ccoc2)c1 C1CO[C@H](C1)C[*:1] O=C(NNC(=O)c1cccc(c1)-c1ccoc1)N[*:1]
Cc1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)ncc1Br O=C([O-])[*:1] Cc1cc(ncc1Br)NC(=O)[C@@H]1CCC[C@@H](C1)[*:1]
Cc1cc(C)c2c(c1)CCCN2C(=O)CCOC1CCOCC1 C1CC(CCO1)O[*:1] Cc1cc(C)c2c(c1)CCCN2C(=O)CC[*:1]
Cc1cc(C)c2c(c1)CCCN2C(=O)CCOC1CCOCC1 C1CC(CCO1)[*:1] Cc1cc(C)c2c(c1)CCCN2C(=O)CCO[*:1]
O=C(NCc1ccc(Br)s1)c1cccc(F)c1Cl Brc1ccc(s1)[*:1] O=C(NC[*:1])c1cccc(F)c1Cl
CC1=C(C(=O)NCCCc2ccccc2)C2(CCCCC2)OC1=O c1ccc(cc1)CC[*:1] CC1C(=O)OC2(CCCCC2)C=1C(=O)NC[*:1]
CC1=C(C(=O)NCCCc2ccccc2)C2(CCCCC2)OC1=O c1ccc(cc1)[*:1] CC1C(=O)OC2(CCCCC2)C=1C(=O)NCCC[*:1]
CC1=C(C(=O)NCCCc2ccccc2)C2(CCCCC2)OC1=O c1ccc(cc1)C[*:1] CC1C(=O)OC2(CCCCC2)C=1C(=O)NCC[*:1]
Cn1nc(C(=O)N2CCSCC2)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)N1CCSCC1
Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)o1 O=C1CNC(=O)N1C[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)o1 O=C1CNC(=O)N1[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)Nc1cccc(c1)C[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)Nc1cccc(c1)CN1C(=O)CNC1=O)[*:1]
C[C@H](NC(=O)c1cc(NC(=O)c2cccs2)n(C)n1)c1ccccc1 c1csc(c1)[*:1] C[C@H](NC(=O)c1cc(NC(=O)[*:1])n(C)n1)c1ccccc1
C[C@H](NC(=O)c1cc(NC(=O)c2cccs2)n(C)n1)c1ccccc1 C[C@H](c1ccccc1)[*:1] Cn1nc(cc1NC(=O)c1cccs1)C(=O)N[*:1]
C[C@H](NC(=O)c1cc(NC(=O)c2cccs2)n(C)n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cc(NC(=O)c2cccs2)n(C)n1)[*:1]
C[C@H](NC(=O)c1cc(NC(=O)c2cccs2)n(C)n1)c1ccccc1 O=C(N[*:1])c1cccs1 C[C@H](NC(=O)c1cc(n(C)n1)[*:1])c1ccccc1
COCCc1ccc(OCC2(CS)CCOCC2)cc1 COC[*:1] SCC1(CCOCC1)COc1ccc(cc1)C[*:1]
COCCc1ccc(OCC2(CS)CCOCC2)cc1 COCC[*:1] SCC1(CCOCC1)COc1ccc(cc1)[*:1]
CC[C@H](NC(=O)N1CCC(C)(C)C1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)N1CCC(C)(C)C1)[*:1]
C#CCN/C(NCc1sccc1C)=[NH+]/CC C#CC[*:1] CC/[NH+]=C(\NCc1sccc1C)N[*:1]
CNC(=O)c1cccc(CCNC(=O)Nc2ccc(F)c(C)c2)c1 CNC(=O)[*:1] Cc1cc(ccc1F)NC(=O)NCCc1cccc(c1)[*:1]
CNC(=O)c1cccc(CCNC(=O)Nc2ccc(F)c(C)c2)c1 Cc1cc(ccc1F)[*:1] CNC(=O)c1cccc(c1)CCNC(=O)N[*:1]
O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 c1ccc(cc1)[*:1] O=C(NN=C1CCC(CC1)[*:1])c1ccc(cc1)-n1cnnn1
O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(NN=C1CCC(CC1)c1ccccc1)c1ccc(cc1)[*:1]
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCC2(C)CCCC2)O1 CC1(CCCC1)[*:1] CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NC[*:1])O1
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCC2(C)CCCC2)O1 CC1(CCCC1)C[*:1] CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N[*:1])O1
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCC2(C)CCCC2)O1 CN(C)C(=O)[*:1] CC1(CCCC1)CNC(=O)NC[C@@H]1CC[C@H](O1)[*:1]
CNC(=O)c1ccc(NC(=O)N(C)[C@H]2CCC[C@@H](C)C2)c(Cl)c1 CNC(=O)[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)Nc1ccc(cc1Cl)[*:1]
C[C@H]1CCc2c(sc(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccco3)N4)c2C#N)C1 c1coc(c1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1cc3N[C@@H](C[C@@H](n3n1)C(F)(F)F)[*:1])c2C#N
C[C@H]1CCc2c(sc(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccco3)N4)c2C#N)C1 FC(F)(F)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1cc3N[C@H](C[C@H](n3n1)[*:1])c1ccco1)c2C#N
C[C@@H]1CC[C@H]([C@H](O)[C@@H]2CCO[C@]3(CCOC3)C2)C1 C[C@@H]1CC[C@H](C1)[*:1] O[C@H]([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
CC(C)OC[C@H]([NH3+])[C@H]1CCOc2ccccc21 CC(C)[*:1] [NH3+][C@@H](CO[*:1])[C@H]1CCOc2ccccc21
CC(C)OC[C@H]([NH3+])[C@H]1CCOc2ccccc21 CC(C)OC[*:1] [NH3+][C@H]([C@H]1CCOc2ccccc21)[*:1]
CC(C)OC[C@H]([NH3+])[C@H]1CCOc2ccccc21 CC(C)O[*:1] [NH3+][C@@H](C[*:1])[C@H]1CCOc2ccccc21
CC[C@H](CC#N)Nc1ccccc1F N#CC[*:1] CC[C@H](Nc1ccccc1F)[*:1]
CNS(=O)(=O)c1ccc(NCC(C)(C)C[C@@H](C)O)nc1 C[C@@H](O)[*:1] CNS(=O)(=O)c1ccc(nc1)NCC(C)(C)C[*:1]
CNS(=O)(=O)c1ccc(NCC(C)(C)C[C@@H](C)O)nc1 CNS(=O)(=O)[*:1] C[C@@H](O)CC(C)(C)CNc1ccc(cn1)[*:1]
Cc1ccc(-c2c[n+](-c3cccc(C(F)(F)F)c3)c3n2CCCCC3)cc1 Cc1ccc(cc1)[*:1] FC(F)(F)c1cccc(c1)-[n+]1cc(n2CCCCCc21)[*:1]
Cc1ccc(-c2c[n+](-c3cccc(C(F)(F)F)c3)c3n2CCCCC3)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1c[n+](-c2cccc(c2)[*:1])c2CCCCCn12
Cc1c(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NCc1cc(on1)-c1ccc(Cl)cc1
Cc1c(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cccc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NCc1cc(on1)[*:1]
CC[C@H](CCO)CNc1c(N)c[nH+]c2ccc(Br)cc12 CC[C@H](CCO)[*:1] Nc1c[nH+]c2ccc(Br)cc2c1NC[*:1]
CC[C@H](CCO)CNc1c(N)c[nH+]c2ccc(Br)cc12 OCC[*:1] CC[C@H](CNc1c(N)c[nH+]c2ccc(Br)cc12)[*:1]
Fc1ccc(-c2ccc(/C=N/c3c(F)c(F)c(F)c(F)c3F)[nH]2)cc1 Fc1ccc(cc1)[*:1] Fc1c(F)c(F)c(/N=C/c2ccc([nH]2)[*:1])c(F)c1F
C[C@H](CCC(=O)NC[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CC[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
C[C@H](CCC(=O)NC[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CCC(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
C[C@H](CCC(=O)NC[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 c1cnc(nc1)[*:1] C[C@H](CCC(=O)NC[C@@H]1CCCN(C1)[*:1])c1ccccc1
COCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 COCC(=O)N[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)[*:1]
COCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 COC[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
COCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 C1CCC(CC1)[*:1] COCC(=O)Nc1ccc(cc1)S(=O)(=O)N(C)[*:1]
CN(C(=O)N[C@H]1CCOC1)C1CC[NH2+]CC1 C1C[C@@H](CO1)[*:1] CN(C(=O)N[*:1])C1CC[NH2+]CC1
CC(=O)c1cccc(NCC(=O)NC(N)=O)c1 CC(=O)[*:1] NC(=O)NC(=O)CNc1cccc(c1)[*:1]
CCCc1cc(C(=O)NCc2cc3cc(OC)ccc3[nH]2)n(C)n1 CCC[*:1] COc1ccc2[nH]c(cc2c1)CNC(=O)c1cc(nn1C)[*:1]
CN(c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C1CCCCC1 CN(C1CCCCC1)[*:1] C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(nc1)[*:1]
CN(c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C1CCCCC1 C1CCC(CC1)[*:1] CN(c1ccc(cn1)S(=O)(=O)N1CC[NH+](C)CC1)[*:1]
CC(C)(C)c1ccc(CSc2ccnc(C(=O)[O-])c2)cc1 CC(C)(C)[*:1] O=C([O-])c1cc(ccn1)SCc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(CSc2ccnc(C(=O)[O-])c2)cc1 O=C([O-])[*:1] CC(C)(C)c1ccc(cc1)CSc1ccnc(c1)[*:1]
N#C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1[*:1] N#C[C@@H](c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
N#C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 Fc1ccc(cc1)[*:1] N#C[C@@H](N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl)[*:1]
Cc1nn(-c2ccc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)nn2)c(C)c1C Cc1nn(c(C)c1C)[*:1] O=C(Nc1ccc(F)cc1)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1nn(-c2ccc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)nn2)c(C)c1C Fc1ccc(cc1)[*:1] Cc1nn(-c2ccc(nn2)N2CCN(CC2)C(=O)N[*:1])c(C)c1C
COC(OC)[C@@H](C)NC(=O)c1ccc(Br)nc1 COC(OC)[*:1] C[C@@H](NC(=O)c1ccc(Br)nc1)[*:1]
Cn1ccc2ccc(NC(=O)N3CCC[C@@H]3C(=O)N3CCOCC3)cc21 O=C(N1CCOCC1)[*:1] Cn1ccc2ccc(cc21)NC(=O)N1CCC[C@H]1[*:1]
Cc1ncc([N+](=O)[O-])n1CC(=O)NN=C1CC[NH+](C)CC1 O=[N+]([O-])[*:1] Cc1ncc(n1CC(=O)NN=C1CC[NH+](C)CC1)[*:1]
COCCN(CC(C)C)C(=O)NCc1cc(F)ccc1Br CC(C)C[*:1] COCCN(C(=O)NCc1cc(F)ccc1Br)[*:1]
COCCN(CC(C)C)C(=O)NCc1cc(F)ccc1Br CC(C)[*:1] COCCN(C[*:1])C(=O)NCc1cc(F)ccc1Br
COCCN(CC(C)C)C(=O)NCc1cc(F)ccc1Br COC[*:1] CC(C)CN(C[*:1])C(=O)NCc1cc(F)ccc1Br
COCCN(CC(C)C)C(=O)NCc1cc(F)ccc1Br COCC[*:1] CC(C)CN(C(=O)NCc1cc(F)ccc1Br)[*:1]
CC[C@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1OC(F)F Fc1cccc(F)c1[*:1] CC[C@H](NC(=O)N[*:1])c1ccccc1OC(F)F
CC[C@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1OC(F)F FC(F)[*:1] CC[C@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1O[*:1]
CC[C@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1OC(F)F FC(F)O[*:1] CC[C@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1[*:1]
[NH3+]C[C@@]1([C@@H](O)C(=O)[O-])CCOc2ccccc21 O=C([O-])[*:1] [NH3+]C[C@]1(CCOc2ccccc21)[C@@H](O)[*:1]
CC(C)C(=O)Nc1ccc(CNC(=O)N[C@@H]2CCCc3ccccc32)cc1 CC(C)C(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])N[C@@H]1CCCc2ccccc21
CC(C)C(=O)Nc1ccc(CNC(=O)N[C@@H]2CCCc3ccccc32)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)NC(=O)[*:1])N[C@@H]1CCCc2ccccc21
O=C(Nc1ccc(C(=O)[O-])c(O)c1)c1ccc(-c2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] O=C(Nc1ccc(C(=O)[O-])c(O)c1)c1ccc(o1)[*:1]
O=C(Nc1ccc(C(=O)[O-])c(O)c1)c1ccc(-c2ccc(Br)cc2)o1 O=C([O-])[*:1] O=C(Nc1ccc(c(O)c1)[*:1])c1ccc(o1)-c1ccc(Br)cc1
C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1nc(-c2ccc(Cl)cc2)no1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)NCC(C)(C)[*:1])c1nc(no1)-c1ccc(Cl)cc1
C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1nc(no1)[*:1]
C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1nc(-c2ccc(Cl)cc2)no1 CC(C)(c1ccncc1)[*:1] C[C@@H](NC(=O)NC[*:1])c1nc(no1)-c1ccc(Cl)cc1
COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(C)cc2)S3)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ccc(/C=C2/Sc3ccc(cc3NC2=O)C(=O)NCC[*:1])cc1
COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(C)cc2)S3)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(CCNC(=O)c2ccc3SC(=C[*:1])C(=O)Nc3c2)c(c1)OC
COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(C)cc2)S3)c(OC)c1 COc1ccc(C[*:1])c(c1)OC Cc1ccc(/C=C2/Sc3ccc(cc3NC2=O)C(=O)NC[*:1])cc1
Cc1ccccc1-c1cc(NC(=O)CN2CCc3sccc3C2)n(C)n1 Cc1ccccc1[*:1] Cn1nc(cc1NC(=O)CN1CCc2sccc2C1)[*:1]
O=C(Cc1ccc(-n2cnnn2)cc1)NCc1nc2ccc(F)cc2[nH]1 c1nnnn1[*:1] O=C(Cc1ccc(cc1)[*:1])NCc1nc2ccc(F)cc2[nH]1
CCNC(=O)CN(CC)C(=O)c1cn(Cc2cccnc2)nn1 CCNC(=O)[*:1] CCN(C[*:1])C(=O)c1cn(Cc2cccnc2)nn1
CCNC(=O)CN(CC)C(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)C[*:1] CCNC(=O)CN(CC)C(=O)c1cn(nn1)[*:1]
CCNC(=O)CN(CC)C(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)[*:1] CCNC(=O)CN(CC)C(=O)c1cn(C[*:1])nn1
CCNC(=O)CN(CC)C(=O)c1cn(Cc2cccnc2)nn1 CCNC(=O)C[*:1] CCN(C(=O)c1cn(Cc2cccnc2)nn1)[*:1]
O=C(CCc1ccc(Cl)cc1Cl)OCc1ccccn1 c1ccc(nc1)[*:1] O=C(CCc1ccc(Cl)cc1Cl)OC[*:1]
COc1cc([C@@H](C[N+](=O)[O-])c2c(N)n(C)c(=O)n(C)c2=O)ccc1O O=[N+]([O-])C[*:1] COc1cc(ccc1O)[C@@H](c1c(N)n(C)c(=O)n(C)c1=O)[*:1]
COc1cc([C@@H](C[N+](=O)[O-])c2c(N)n(C)c(=O)n(C)c2=O)ccc1O O=[N+]([O-])[*:1] COc1cc(ccc1O)[C@@H](C[*:1])c1c(N)n(C)c(=O)n(C)c1=O
Cc1ccc(NC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)cc1F Fc1ccc(cc1F)[*:1] Cc1ccc(cc1F)NC(=O)C1CN(C1)C(=O)[*:1]
Cc1ccc(NC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)cc1F Cc1ccc(cc1F)[*:1] O=C(N[*:1])C1CN(C1)C(=O)c1ccc(F)c(F)c1
COc1ccccc1Oc1ncnc(N2CCCc3ccccc32)c1N COc1ccccc1[*:1] Nc1c(ncnc1N1CCCc2ccccc21)O[*:1]
CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O CC(C)[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1C[*:1])C(=O)Nc1ccc2OCCOc2c1
CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O CC(C)C[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)Nc1ccc2OCCOc2c1
CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O c1cc2OCCOc2cc1[*:1] CC(C)Cn1c(nc2ccccc2c1=O)S[C@H](C)C(=O)N[*:1]
CCN[C@H](Cc1c[nH+]ccc1N)C[NH+](C)C C[NH+](C)C[*:1] CCN[C@H](Cc1c[nH+]ccc1N)[*:1]
CCN[C@H](Cc1c[nH+]ccc1N)C[NH+](C)C CCN[*:1] C[NH+](C)C[C@@H](Cc1c[nH+]ccc1N)[*:1]
O=C(c1ccc(Br)o1)N1CC[C@@H](OCc2cccnc2)C1 c1cncc(c1)[*:1] O=C(c1ccc(Br)o1)N1CC[C@H](C1)OC[*:1]
O=C(c1ccc(Br)o1)N1CC[C@@H](OCc2cccnc2)C1 Brc1ccc(o1)[*:1] O=C(N1CC[C@H](C1)OCc1cccnc1)[*:1]
O=C(c1ccc(Br)o1)N1CC[C@@H](OCc2cccnc2)C1 c1cncc(c1)C[*:1] O=C(c1ccc(Br)o1)N1CC[C@H](C1)O[*:1]
NC(=O)c1ccc(CN2CCN(C(=O)CC3(O)CCCC3)CC2)cc1 NC(=O)[*:1] O=C(CC1(O)CCCC1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
NC(=O)c1ccc(CN2CCN(C(=O)CC3(O)CCCC3)CC2)cc1 OC1(CCCC1)[*:1] NC(=O)c1ccc(cc1)CN1CCN(CC1)C(=O)C[*:1]
NC(=O)c1ccc(CN2CCN(C(=O)CC3(O)CCCC3)CC2)cc1 OC1(CCCC1)C[*:1] NC(=O)c1ccc(cc1)CN1CCN(CC1)C(=O)[*:1]
CN(Cc1ccccc1Cl)C(=O)c1cnn(Cc2ccccc2)c1 Clc1ccccc1[*:1] CN(C[*:1])C(=O)c1cnn(c1)Cc1ccccc1
CN(Cc1ccccc1Cl)C(=O)c1cnn(Cc2ccccc2)c1 Clc1ccccc1C[*:1] CN(C(=O)c1cnn(c1)Cc1ccccc1)[*:1]
CN(Cc1ccccc1Cl)C(=O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] CN(Cc1ccccc1Cl)C(=O)c1cnn(c1)C[*:1]
CN(Cc1ccccc1Cl)C(=O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CN(Cc1ccccc1Cl)C(=O)c1cnn(c1)[*:1]
CC(C)c1c([O-])[nH]c([C@@H]([NH3+])C2CC2)nc1=O C1CC1[*:1] CC(C)c1c([O-])[nH]c(nc1=O)[C@@H]([NH3+])[*:1]
CC(C)c1c([O-])[nH]c([C@@H]([NH3+])C2CC2)nc1=O CC(C)[*:1] [NH3+][C@H](c1nc(=O)c(c([O-])[nH]1)[*:1])C1CC1
O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)Cc1cccc(Cl)c1 Fc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CSCN1C(=O)Cc1cccc(Cl)c1
O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)C[*:1]
O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)[*:1]
Cc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1N1CCCC1=O O=C1CCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)c1csc(n1)-c1ccccc1
Cc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1N1CCCC1=O c1ccc(cc1)[*:1] Cc1ccc(cc1N1CCCC1=O)NC(=O)c1csc(n1)[*:1]
C#Cc1cccc(NC(=O)NC[C@@H](C)C(=O)OC)c1 COC(=O)[C@H](C)[*:1] C#Cc1cccc(c1)NC(=O)NC[*:1]
C#Cc1cccc(NC(=O)NC[C@@H](C)C(=O)OC)c1 COC(=O)[*:1] C#Cc1cccc(c1)NC(=O)NC[C@@H](C)[*:1]
Cc1nc(-c2ccccc2)sc1CNC(=O)NCC(C)(C)[NH+](C)C c1ccc(cc1)[*:1] Cc1nc(sc1CNC(=O)NCC(C)(C)[NH+](C)C)[*:1]
COc1ccc([C@H](CNC(=O)N2CCC[C@@H](c3nc(C)no3)C2)[NH+](C)C)cc1 Cc1noc(n1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)N1CCC[C@@H](C1)[*:1])[NH+](C)C
COc1ccc([C@H](CNC(=O)N2CCC[C@@H](c3nc(C)no3)C2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C(=O)NC[C@H]([NH+](C)C)[*:1]
O=C([O-])C[C@@H](NC(=O)C1CCC1)c1ccc(Cl)cc1 O=C([O-])C[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)[*:1])C1CCC1
O=C([O-])C[C@@H](NC(=O)C1CCC1)c1ccc(Cl)cc1 O=C([O-])[*:1] O=C(N[C@H](C[*:1])c1ccc(Cl)cc1)C1CCC1
O=C([O-])C[C@@H](NC(=O)C1CCC1)c1ccc(Cl)cc1 C1CC(C1)[*:1] O=C([O-])C[C@@H](NC(=O)[*:1])c1ccc(Cl)cc1
NC(=O)c1ccc(CSCc2ccc(C(=O)N3CCCC3)cc2)cc1 NC(=O)[*:1] O=C(c1ccc(cc1)CSCc1ccc(cc1)[*:1])N1CCCC1
NC(=O)c1ccc(CSCc2ccc(C(=O)N3CCCC3)cc2)cc1 O=C(N1CCCC1)[*:1] NC(=O)c1ccc(cc1)CSCc1ccc(cc1)[*:1]
O=C1CCc2cc(OC(=O)c3ccc(OC(F)F)cc3)ccc2N1 FC(F)O[*:1] O=C1CCc2cc(ccc2N1)OC(=O)c1ccc(cc1)[*:1]
O=C1CCc2cc(OC(=O)c3ccc(OC(F)F)cc3)ccc2N1 FC(F)[*:1] O=C1CCc2cc(ccc2N1)OC(=O)c1ccc(cc1)O[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)CCSc1nc(C)n[nH]1 Clc1ccc(C[*:1])s1 CCN(C(=O)CCSc1nc(C)n[nH]1)[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)CCSc1nc(C)n[nH]1 Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)CCSc1nc(C)n[nH]1
CCN(Cc1ccc(Cl)s1)C(=O)CCSc1nc(C)n[nH]1 Cc1n[nH]c(n1)S[*:1] CCN(Cc1ccc(Cl)s1)C(=O)CC[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)CCSc1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CCN(Cc1ccc(Cl)s1)C(=O)CCS[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)c1cccs1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN(C)C(=O)CNC(=O)c1cccs1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)c1cccs1 c1csc(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)c1cccs1 O=C(N[*:1])c1cccs1 Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)c1cccs1 O=C(NC[*:1])c1cccs1 Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[*:1]
CCN(C(=O)[C@H](C)Oc1cccc(C(C)=O)c1)c1ccccc1C CC(=O)[*:1] CCN(C(=O)[C@H](C)Oc1cccc(c1)[*:1])c1ccccc1C
CCN(C(=O)[C@H](C)Oc1cccc(C(C)=O)c1)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)[C@H](C)Oc1cccc(c1)C(C)=O)[*:1]
CC(C)[C@H](Sc1nncn1C1CC1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC(C)[C@H](Sc1nncn1C1CC1)C(=O)N[*:1]
CC(C)[C@H](Sc1nncn1C1CC1)C(=O)NC1CCCCC1 CC(C)[*:1] O=C(NC1CCCCC1)[C@@H](Sc1nncn1C1CC1)[*:1]
CC(C)[C@H](Sc1nncn1C1CC1)C(=O)NC1CCCCC1 C1CC1[*:1] CC(C)[C@H](Sc1nncn1[*:1])C(=O)NC1CCCCC1
COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCc2ccccc2C)C1 COCC[*:1] Cc1ccccc1CNC(=O)N1C[C@H](CC[C@H]1C)C(=O)N[*:1]
COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCc2ccccc2C)C1 COC[*:1] Cc1ccccc1CNC(=O)N1C[C@H](CC[C@H]1C)C(=O)NC[*:1]
COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCc2ccccc2C)C1 Cc1ccccc1[*:1] COCCNC(=O)[C@H]1CC[C@@H](C)N(C1)C(=O)NC[*:1]
COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCc2ccccc2C)C1 Cc1ccccc1C[*:1] COCCNC(=O)[C@H]1CC[C@@H](C)N(C1)C(=O)N[*:1]
COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCc2ccccc2C)C1 COCCNC(=O)[*:1] Cc1ccccc1CNC(=O)N1C[C@H](CC[C@H]1C)[*:1]
Cc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 Clc1cccc(c1Cl)[*:1] Cc1ccc(cc1)C(=O)NC1CC[NH+](CC1)CC(=O)N[*:1]
Cc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)[*:1])Nc1cccc(Cl)c1Cl
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](C)[C@@H](O)C1 FC(F)(F)[*:1] C[C@@H](Cc1cccc(c1)[*:1])C(=O)N1CC[C@@H](C)[C@@H](O)C1
COc1ccc(CN(C)C(=O)C[NH+]2CCCN(CC(F)(F)F)CC2)cc1F FC(F)(F)[*:1] COc1ccc(cc1F)CN(C)C(=O)C[NH+]1CCCN(CC1)C[*:1]
COc1ccc(CN(C)C(=O)C[NH+]2CCCN(CC(F)(F)F)CC2)cc1F COc1ccc(cc1F)[*:1] CN(C[*:1])C(=O)C[NH+]1CCCN(CC1)CC(F)(F)F
COc1ccc(CN(C)C(=O)C[NH+]2CCCN(CC(F)(F)F)CC2)cc1F FC(F)(F)C[*:1] COc1ccc(cc1F)CN(C)C(=O)C[NH+]1CCCN(CC1)[*:1]
CC(C)c1ccc(C(=O)[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 CS(=O)(=O)[*:1] CC(C)c1ccc(cc1)C(=O)[C@H]1CCC[C@H](C1)[*:1]
CC(C)c1ccc(C(=O)[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 CC(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)C(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)cc1 O=Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1oc(cc1C)CO[*:1]
CC(=O)Nc1ccc(NC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)cc1 O=Cc1ccc(cc1)O[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1oc(cc1C)C[*:1]
CC(=O)Nc1ccc(NC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)cc1 CC(=O)N[*:1] Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1ccc(cc1)[*:1]
O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2cccc3ccccc23)CC1 Fc1ccc(F)c(c1)[*:1] O=S(=O)(N1CCN(CC1)Cc1cccc2ccccc12)[*:1]
CC(C)CO[C@@H](C)c1noc(CSc2ncnc3ccsc23)n1 CC(C)C[*:1] C[C@H](O[*:1])c1noc(CSc2ncnc3ccsc23)n1
CC(C)CO[C@@H](C)c1noc(CSc2ncnc3ccsc23)n1 CC(C)CO[*:1] C[C@@H](c1noc(CSc2ncnc3ccsc23)n1)[*:1]
CC(C)CO[C@@H](C)c1noc(CSc2ncnc3ccsc23)n1 CC(C)CO[C@@H](C)[*:1] c1nc(SCc2nc(no2)[*:1])c2sccc2n1
CC(C)CO[C@@H](C)c1noc(CSc2ncnc3ccsc23)n1 CC(C)[*:1] C[C@H](OC[*:1])c1noc(CSc2ncnc3ccsc23)n1
Cc1ccc(-c2ncc3c(=O)n(CC(=O)NCc4cccc(Cl)c4)c(=O)n(C)c3n2)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)n(CC(=O)NCc2cccc(Cl)c2)c(=O)c2cnc(nc21)[*:1]
Cc1ccc(-c2ncc3c(=O)n(CC(=O)NCc4cccc(Cl)c4)c(=O)n(C)c3n2)cc1 Clc1cccc(c1)C[*:1] Cc1ccc(cc1)-c1ncc2c(=O)n(CC(=O)N[*:1])c(=O)n(C)c2n1
Cc1ccc(-c2ncc3c(=O)n(CC(=O)NCc4cccc(Cl)c4)c(=O)n(C)c3n2)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)-c1ncc2c(=O)n(CC(=O)NC[*:1])c(=O)n(C)c2n1
O=C(CCNC(=O)c1ccsc1)Oc1ccc2ccc(=O)oc2c1 c1cc(cs1)[*:1] O=C(CCNC(=O)[*:1])Oc1ccc2ccc(=O)oc2c1
O=C(CCNC(=O)c1ccsc1)Oc1ccc2ccc(=O)oc2c1 O=C(N[*:1])c1ccsc1 O=C(CC[*:1])Oc1ccc2ccc(=O)oc2c1
Cc1ccsc1-c1nn(CN(C)Cc2nccs2)c(=S)o1 c1csc(n1)[*:1] Cc1ccsc1-c1nn(CN(C)C[*:1])c(=S)o1
Cc1ccsc1-c1nn(CN(C)Cc2nccs2)c(=S)o1 Cc1ccsc1[*:1] CN(Cc1nccs1)Cn1nc(oc1=S)[*:1]
Cc1ccsc1-c1nn(CN(C)Cc2nccs2)c(=S)o1 c1csc(C[*:1])n1 Cc1ccsc1-c1nn(CN(C)[*:1])c(=S)o1
O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(Nc1cc(F)ccc1OCC(F)(F)F)[*:1]
O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1c(F)cccc1F FC(F)(F)CO[*:1] O=C(Nc1cc(F)ccc1[*:1])c1c(F)cccc1F
O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1c(F)cccc1F FC(F)(F)[*:1] O=C(Nc1cc(F)ccc1OC[*:1])c1c(F)cccc1F
O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1c(F)cccc1F FC(F)(F)C[*:1] O=C(Nc1cc(F)ccc1O[*:1])c1c(F)cccc1F
NC(=O)CSc1nnc(NC(=O)CCn2cnnn2)s1 NC(=O)[*:1] O=C(CCn1cnnn1)Nc1nnc(SC[*:1])s1
NC(=O)CSc1nnc(NC(=O)CCn2cnnn2)s1 c1nnnn1[*:1] NC(=O)CSc1nnc(NC(=O)CC[*:1])s1
NC(=O)CSc1nnc(NC(=O)CCn2cnnn2)s1 NC(=O)CS[*:1] O=C(CCn1cnnn1)Nc1nnc(s1)[*:1]
NC(=O)CSc1nnc(NC(=O)CCn2cnnn2)s1 c1nnnn1C[*:1] NC(=O)CSc1nnc(NC(=O)C[*:1])s1
NC(=O)CSc1nnc(NC(=O)CCn2cnnn2)s1 NC(=O)C[*:1] O=C(CCn1cnnn1)Nc1nnc(S[*:1])s1
C[NH+](C)CCN(Cc1cccnc1)C(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 c1cncc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
C[NH+](C)CCN(Cc1cccnc1)C(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 c1cncc(c1)C[*:1] C[NH+](C)CCN(C(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)[*:1]
CC(C)c1ccccc1NC(=O)C(C)(C)CCl CC(C)(CCl)[*:1] CC(C)c1ccccc1NC(=O)[*:1]
CC(C)c1ccccc1NC(=O)C(C)(C)CCl CC(C)[*:1] CC(C)(CCl)C(=O)Nc1ccccc1[*:1]
CC(=O)Nc1ccc(C(C)=O)cc1OCc1ccc(Br)cc1 CC(=O)N[*:1] CC(=O)c1ccc(c(c1)OCc1ccc(Br)cc1)[*:1]
CC(=O)Nc1ccc(C(C)=O)cc1OCc1ccc(Br)cc1 CC(=O)[*:1] CC(=O)Nc1ccc(cc1OCc1ccc(Br)cc1)[*:1]
CC(=O)Nc1ccc(C(C)=O)cc1OCc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1OC[*:1])C(C)=O
CCCCNC(=S)C(=O)Nc1c(Br)cc(Br)cc1[N+](=O)[O-] CCCC[*:1] O=C(Nc1c(Br)cc(Br)cc1[N+](=O)[O-])C(=S)N[*:1]
CCCCNC(=S)C(=O)Nc1c(Br)cc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCCNC(=S)C(=O)Nc1c(Br)cc(Br)cc1[*:1]
CCCCNC(=S)C(=O)Nc1c(Br)cc(Br)cc1[N+](=O)[O-] CCC[*:1] O=C(Nc1c(Br)cc(Br)cc1[N+](=O)[O-])C(=S)NC[*:1]
CN(CC(=O)N1CCOCC1)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 O=C(C[*:1])N1CCOCC1 CN(C(=O)c1cc(nc2ccccc12)-c1ccccc1Cl)[*:1]
CN(CC(=O)N1CCOCC1)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 Clc1ccccc1[*:1] CN(CC(=O)N1CCOCC1)C(=O)c1cc(nc2ccccc12)[*:1]
CN(CC(=O)N1CCOCC1)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 O=C(N1CCOCC1)[*:1] CN(C[*:1])C(=O)c1cc(nc2ccccc12)-c1ccccc1Cl
CC(C)(NC(=O)c1scnc1C1CC1)c1cn(-c2ccccc2)nn1 c1nc(c(s1)[*:1])C1CC1 CC(C)(NC(=O)[*:1])c1cn(nn1)-c1ccccc1
CC(C)(NC(=O)c1scnc1C1CC1)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] CC(C)(NC(=O)c1scnc1C1CC1)c1cn(nn1)[*:1]
CC(C)(NC(=O)c1scnc1C1CC1)c1cn(-c2ccccc2)nn1 C1CC1[*:1] CC(C)(NC(=O)c1scnc1[*:1])c1cn(nn1)-c1ccccc1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 C1CN(CCO1)CC[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N([C@H]1c1cccs1)[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 C1CN(CCO1)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1cccs1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 c1csc(c1)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@@H]1[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 Cc1nn(C)c(C)c1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccs2)N1CCN1CCOCC1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 Cc1nn(C)c(C)c1C(=O)[*:1] O=C1C([O-])=C([C@H](c2cccs2)N1CCN1CCOCC1)[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 C1CN(CCO1)C[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccs1
Cc1cc(C)n([C@@H](C)C(=O)N2CCOC[C@H]2CC(C)C)n1 CC(C)[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)N1CCOC[C@H]1C[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N2CCOC[C@H]2CC(C)C)n1 CC(C)C[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)N1CCOC[C@@H]1[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N2CCOC[C@H]2CC(C)C)n1 Cc1cc(C)n(n1)[*:1] CC(C)C[C@@H]1COCCN1C(=O)[C@H](C)[*:1]
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 CC(C)[*:1] N#Cc1cn(nc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F)[*:1]
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] CC(C)n1cc(C#N)c(n1)[N-]S(=O)(=O)c1ccccc1[*:1]
Cc1cc(F)cc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 Fc1ccc(F)c(c1)[*:1] Cc1cc(F)cc(c1)C(=O)N1C[C@H](O)C[C@@H]1[*:1]
Cc1cc(F)cc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 Cc1cc(F)cc(c1)[*:1] O=C(N1C[C@H](O)C[C@H]1c1cc(F)ccc1F)[*:1]
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)c(C)nn(C)c2=O)cc1 COc1cc(C#N)ccc1[*:1] Cc1nn(C)c(=O)c(C(=O)Nc2ccc(cc2)O[*:1])c1C
COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c(C)c(C)nn(C)c2=O)cc1 Cc1nn(C)c(=O)c(c1C)[*:1] COc1cc(C#N)ccc1Oc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(-c2csc3ncn(CCC(=O)Nc4[nH+]cccc4O)c(=O)c23)cc1 Cc1ccc(cc1)[*:1] O=C(CCn1cnc2scc(c2c1=O)[*:1])Nc1[nH+]cccc1O
CCCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 CCCC[*:1] CS(=O)(=O)c1cccc(c1)[C@H]([NH2+][*:1])c1ccc(F)c(F)c1
CCCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCCC[NH2+][C@@H](c1cccc(c1)S(C)(=O)=O)[*:1]
CCCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 CS(=O)(=O)[*:1] CCCC[NH2+][C@@H](c1cccc(c1)[*:1])c1ccc(F)c(F)c1
CCCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 CCC[*:1] CS(=O)(=O)c1cccc(c1)[C@H]([NH2+]C[*:1])c1ccc(F)c(F)c1
CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)c1ccncc1F Fc1cnccc1[*:1] CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[*:1]
CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)c1ccncc1F c1ccc(cc1)C[*:1] CN(c1[nH+]cccc1CNC(=O)c1ccncc1F)[*:1]
CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)c1ccncc1F c1ccc(cc1)[*:1] CN(C[*:1])c1[nH+]cccc1CNC(=O)c1ccncc1F
COCC[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C COC[*:1] C[C@H]1Cc2ccccc2N1C(=O)[C@H](C)C[*:1]
COCC[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C COCC[*:1] C[C@H]1Cc2ccccc2N1C(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C COCC[C@@H](C)[*:1] C[C@H]1Cc2ccccc2N1C(=O)[*:1]
CCOc1cc2c(cc1NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)O[C@H](C)C2 O=C(N[*:1])c1ccc(Br)s1 CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)[C@H](C)[*:1]
CCOc1cc2c(cc1NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)O[C@H](C)C2 CCO[*:1] C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cc2O[C@H](C)Cc2cc1[*:1]
CCOc1cc2c(cc1NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)O[C@H](C)C2 Brc1ccc(s1)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)[C@H](C)NC(=O)[*:1]
COC(=O)c1cn([C@H]2CCCC[C@H]2OC(=O)c2ccc(Cl)cc2)nn1 COC(=O)[*:1] O=C(O[C@@H]1CCCC[C@@H]1n1cc(nn1)[*:1])c1ccc(Cl)cc1
COC(=O)c1cn([C@H]2CCCC[C@H]2OC(=O)c2ccc(Cl)cc2)nn1 Clc1ccc(cc1)[*:1] COC(=O)c1cn(nn1)[C@H]1CCCC[C@H]1OC(=O)[*:1]
CN(C(=O)Cn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21)c1ccccc1 CN(C(=O)[*:1])c1ccccc1 O=C1C[C@@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1C[*:1]
CN(C(=O)Cn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21)c1ccccc1 Fc1ccc(cc1)[*:1] CN(C(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1])c1ccccc1
CN(C(=O)Cn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)c1ccc(F)cc1)[*:1]
CN(C(=O)Cn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21)c1ccccc1 CN(C(=O)C[*:1])c1ccccc1 O=C1C[C@@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1[*:1]
Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)c1C Cc1cccc(c1C)[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)c1C Cc1cccc(C)c1[*:1] Cc1cccc(c1C)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
Cc1cc([C@H]2N=N[C@@H](SCC(=O)Nc3nc(-c4ccccc4)cs3)O2)no1 Cc1cc(no1)[*:1] O=C(CS[C@@H]1N=N[C@@H](O1)[*:1])Nc1nc(cs1)-c1ccccc1
Cc1cc([C@H]2N=N[C@@H](SCC(=O)Nc3nc(-c4ccccc4)cs3)O2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)[C@H]1N=N[C@H](O1)SCC(=O)Nc1nc(cs1)[*:1]
Cc1ccccc1NC(=O)C(=O)NCc1ccnc(OC2CCC2)c1 Cc1ccccc1[*:1] O=C(NCc1ccnc(c1)OC1CCC1)C(=O)N[*:1]
Cc1ccccc1NC(=O)C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] Cc1ccccc1NC(=O)C(=O)NCc1ccnc(c1)O[*:1]
Cc1ccccc1NC(=O)C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] Cc1ccccc1NC(=O)C(=O)NCc1ccnc(c1)[*:1]
CCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1 CCNC(=O)[*:1] O=S(=O)(NCc1ccc(cc1)[*:1])c1ccccc1Cl
CCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCNC(=O)c1ccc(cc1)CNS(=O)(=O)[*:1]
CCc1nnc(SCc2nc(-c3ccc(OC)c(OC)c3)oc2C)c2cc3sccc3n12 COc1ccc(cc1OC)[*:1] CCc1nnc(SCc2nc(oc2C)[*:1])c2cc3sccc3n12
COc1ccc(OCC(=O)NCc2cc(-c3cccs3)on2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])NCc1cc(on1)-c1cccs1
COc1ccc(OCC(=O)NCc2cc(-c3cccs3)on2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)OCC(=O)NCc1cc(on1)[*:1]
CCOC(=O)C1CCN(C(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)CC1 CCOC(=O)[*:1] Cc1ccc(cc1)-c1nn(cc1C(=O)N1CCC(CC1)[*:1])-c1ccc(F)cc1
CCOC(=O)C1CCN(C(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)c1cn(nc1[*:1])-c1ccc(F)cc1
CCOC(=O)C1CCN(C(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)c1cn(nc1-c1ccc(C)cc1)[*:1]
COc1ccccc1CN(C(=O)c1cnn(C(C)C)c1C)C1CC1 CC(C)[*:1] COc1ccccc1CN(C(=O)c1cnn(c1C)[*:1])C1CC1
COc1ccccc1CN(C(=O)c1cnn(C(C)C)c1C)C1CC1 COc1ccccc1[*:1] Cc1c(cnn1C(C)C)C(=O)N(C[*:1])C1CC1
COc1ccccc1CN(C(=O)c1cnn(C(C)C)c1C)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)c1cnn(c1C)C(C)C)[*:1]
C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 O=[N+]([O-])[*:1] C[C@H](Nc1ccc(cn1)[*:1])c1ccc(Cl)c(Cl)c1
COc1ccc(C2=C[C@H](C(=O)N3CCN(C(=O)C4CCCCC4)CC3)N=N2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)C1=C[C@@H](N=N1)C(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(C2=C[C@H](C(=O)N3CCN(C(=O)C4CCCCC4)CC3)N=N2)cc1 COc1ccc(cc1)[*:1] O=C(C1CCCCC1)N1CCN(CC1)C(=O)[C@H]1C=C(N=N1)[*:1]
COc1ccc(Cl)cc1NC(=O)C[NH+](C)Cc1ncoc1C(C)C CC(C)[*:1] COc1ccc(Cl)cc1NC(=O)C[NH+](C)Cc1ncoc1[*:1]
Cn1/c(=N/C(=O)CCS(=O)(=O)C2CCCC2)[nH]c2cc(Cl)ccc21 O=S(=O)(C1CCCC1)[*:1] Cn1/c(=N/C(=O)CC[*:1])[nH]c2cc(Cl)ccc21
Cn1/c(=N/C(=O)CCS(=O)(=O)C2CCCC2)[nH]c2cc(Cl)ccc21 C1CCC(C1)[*:1] Cn1/c(=N/C(=O)CCS(=O)(=O)[*:1])[nH]c2cc(Cl)ccc21
C[C@H](CCc1ccccc1)NC(=O)N1CCC(CC(N)=O)CC1 NC(=O)C[*:1] C[C@H](CCc1ccccc1)NC(=O)N1CCC(CC1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)N1CCC(CC(N)=O)CC1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)N1CCC(CC1)CC(N)=O
C[C@H](CCc1ccccc1)NC(=O)N1CCC(CC(N)=O)CC1 NC(=O)[*:1] C[C@H](CCc1ccccc1)NC(=O)N1CCC(CC1)C[*:1]
C[C@H](CCc1ccccc1)NC(=O)N1CCC(CC(N)=O)CC1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)N1CCC(CC1)CC(N)=O
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nnnn1C1CCCC1)CC2 C1CCC(C1)n1nnnc1[*:1] COc1cc2CCN(C(=O)CS[*:1])[C@@H](c3ccccc3)c2cc1OC
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nnnn1C1CCCC1)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(C(=O)CSc3nnnn3C3CCCC3)[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nnnn1C1CCCC1)CC2 C1CCC(C1)[*:1] COc1cc2CCN(C(=O)CSc3nnnn3[*:1])[C@@H](c3ccccc3)c2cc1OC
CCc1nnc(NC(=O)c2noc3c2COc2ccc(C)cc2-3)s1 CCc1nnc(s1)[*:1] Cc1ccc2OCc3c(noc3-c2c1)C(=O)N[*:1]
Cc1ccc(NC(=O)COc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)cc1 Cc1ccc(cc1)NC(=O)[*:1] N#Cc1c(cc(nc1OC[*:1])-c1ccccc1)C(F)(F)F
Cc1ccc(NC(=O)COc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)COc1nc(cc(c1C#N)C(F)(F)F)[*:1]
Cc1ccc(NC(=O)COc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)cc1 Cc1ccc(cc1)[*:1] N#Cc1c(cc(nc1OCC(=O)N[*:1])-c1ccccc1)C(F)(F)F
Cc1ccc(NC(=O)COc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC(=O)COc1nc(cc(c1C#N)[*:1])-c1ccccc1
CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2OC)cc1F CCO[*:1] COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccc(c(F)c1)[*:1]
C[C@@H](CC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1)n1cccc1 C[C@@H](C[*:1])n1cccc1 O=C(N[C@@H]1CCN(C1)c1c(F)cccc1F)[*:1]
C[C@@H](CC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1)n1cccc1 Fc1cccc(F)c1[*:1] C[C@@H](CC(=O)N[C@@H]1CCN(C1)[*:1])n1cccc1
C[C@@H](CC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1)n1cccc1 c1ccn(c1)[*:1] C[C@@H](CC(=O)N[C@@H]1CCN(C1)c1c(F)cccc1F)[*:1]
CC(C)(CNC(=O)Cn1cnnn1)c1ccccc1 c1nnnn1[*:1] CC(C)(CNC(=O)C[*:1])c1ccccc1
CC(C)(CNC(=O)Cn1cnnn1)c1ccccc1 c1nnnn1C[*:1] CC(C)(CNC(=O)[*:1])c1ccccc1
CC(C)(CNC(=O)Cn1cnnn1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)Cn1cnnn1)[*:1]
Cc1ccc(CCN(Cc2cncs2)CC(F)(F)F)cc1 Cc1ccc(cc1)[*:1] FC(F)(F)CN(CC[*:1])Cc1cncs1
Cc1ccc(CCN(Cc2cncs2)CC(F)(F)F)cc1 c1ncc(s1)[*:1] Cc1ccc(cc1)CCN(CC(F)(F)F)C[*:1]
Cc1ccc(CCN(Cc2cncs2)CC(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)CCN(Cc1cncs1)C[*:1]
Cc1ccc(CCN(Cc2cncs2)CC(F)(F)F)cc1 c1ncc(C[*:1])s1 Cc1ccc(cc1)CCN(CC(F)(F)F)[*:1]
Cc1ccc(CCN(Cc2cncs2)CC(F)(F)F)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)CCN(Cc1cncs1)[*:1]
C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1)C(N)=O c1ccc(cc1)O[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(cc1)[*:1])C(N)=O
C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1)C(N)=O NC(=O)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(cc1)Oc1ccccc1)[*:1]
C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1)C(N)=O c1ccc(cc1)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(cc1)O[*:1])C(N)=O
COc1ccc(-c2nc(COc3ccc(C#N)cc3OC)cs2)cc1 COc1ccc(cc1)[*:1] COc1cc(C#N)ccc1OCc1csc(n1)[*:1]
O=C(c1cccnc1)N1CCc2c(ncnc2NCCC[C@H]2CCOC2)C1 c1cncc(c1)[*:1] O=C(N1CCc2c(C1)ncnc2NCCC[C@H]1CCOC1)[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1C c1ccc(cc1)[*:1] Cc1cnn(c1NC(=O)[C@@H]1C[C@@H]1C)[*:1]
Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N(C)[C@@H]1CCc2ccccc21 O=C1CCCN1[*:1] Cc1cc(ccc1S(=O)(=O)N(C)[C@@H]1CCc2ccccc21)[*:1]
COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)Nc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)Nc1nc2c(CCC[C@@H]2C(=O)N[*:1])s1
COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)Nc2cccc(Cl)c2)cc1 O=C(Nc1cccc(Cl)c1)[*:1] COc1ccc(cc1)C(=O)Nc1nc2c(CCC[C@H]2[*:1])s1
COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)Nc2cccc(Cl)c2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)[C@H]1CCCc2sc(nc21)NC(=O)[*:1]
Cc1ccc(C(=O)NCCCNC(=O)C(C)(C)C)cn1 CC(C)(C)[*:1] Cc1ccc(cn1)C(=O)NCCCNC(=O)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 CC(C)[*:1] NC(=O)N[C@H](C(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 CC(C)[C@H](NC(N)=O)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 NC(=O)N[*:1] CC(C)[C@H](C(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] CC(C)[C@H](NC(N)=O)C(=O)NC[C@H]1CCCN(C1)[*:1]
N#CCc1ccc(S(=O)(=O)N2CCO[C@H](c3ccccc3F)C2)cc1 Fc1ccccc1[*:1] N#CCc1ccc(cc1)S(=O)(=O)N1CCO[C@H](C1)[*:1]
N#CCc1ccc(S(=O)(=O)N2CCO[C@H](c3ccccc3F)C2)cc1 N#CC[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCO[C@@H](C1)c1ccccc1F
COc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(F)cc2)c1[O-] COc1ccccc1O[*:1] Cc1c(C(=O)C[*:1])c([O-])n(Cc2ccc(F)cc2)c(=O)c1C#N
COc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(F)cc2)c1[O-] COc1ccccc1OC[*:1] Cc1c(C(=O)[*:1])c([O-])n(Cc2ccc(F)cc2)c(=O)c1C#N
COc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(F)cc2)c1[O-] Fc1ccc(cc1)[*:1] COc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(C[*:1])c1[O-]
COc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(F)cc2)c1[O-] Fc1ccc(cc1)C[*:1] COc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
COc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(F)cc2)c1[O-] COc1ccccc1[*:1] Cc1c(C(=O)CO[*:1])c([O-])n(Cc2ccc(F)cc2)c(=O)c1C#N
C[C@@H](C(=O)NCCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 c1coc(c1)CC[*:1] C[C@@H](C(=O)N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
C[C@@H](C(=O)NCCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] C[C@@H](C(=O)NCCc1ccco1)C1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](C(=O)NCCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 c1coc(c1)C[*:1] C[C@@H](C(=O)NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
C[C@@H](C(=O)NCCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 c1coc(c1)[*:1] C[C@@H](C(=O)NCC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
CCC[NH2+]C[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2)C1 CCC[*:1] O=C([O-])c1ccc(cc1)CN1CCC[C@H](C[NH2+][*:1])C1
CCC[NH2+]C[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2)C1 O=C([O-])[*:1] CCC[NH2+]C[C@H]1CCCN(Cc2ccc(cc2)[*:1])C1
C[NH+](CC(=O)Nc1ccc(Cl)cn1)CC(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] C[NH+](CC(=O)Nc1ccc(Cl)cn1)CC(=O)Nc1ccccc1[*:1]
C[NH+](CC(=O)Nc1ccc(Cl)cn1)CC(=O)Nc1ccccc1C(F)(F)F Clc1ccc(nc1)[*:1] C[NH+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N[*:1]
C[C@H]([NH2+]Cc1ccccc1Cl)C1(C)CC1 CC1(CC1)[*:1] C[C@H]([NH2+]Cc1ccccc1Cl)[*:1]
Fc1ccc2ncnc(N3CCC([NH2+]C4CC4)CC3)c2c1 C1CC1[*:1] Fc1ccc2ncnc(c2c1)N1CCC(CC1)[NH2+][*:1]
Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 FC(F)(F)[*:1] Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2ccc(cc2[nH]1)[*:1]
Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 Cc1cccc(C)c1[*:1] C[C@@H](Sc1nc2ccc(cc2[nH]1)C(F)(F)F)C(=O)N[*:1]
O=C1NC(=O)C2(CCN(C(=O)c3cc(-c4cccc(Cl)c4)on3)CC2)N1 Clc1cccc(c1)[*:1] O=C1NC(=O)C2(CCN(CC2)C(=O)c2cc(on2)[*:1])N1
CC(C)c1ccc(NC(=O)CSC[C@H](O)CO)cc1 OC[C@@H](O)[*:1] CC(C)c1ccc(cc1)NC(=O)CSC[*:1]
CC(C)c1ccc(NC(=O)CSC[C@H](O)CO)cc1 CC(C)[*:1] O=C(CSC[C@H](O)CO)Nc1ccc(cc1)[*:1]
Cc1nn(C)c(C)c1NC(=O)CNc1ccc(F)c(-n2nnnc2C)c1 Cc1nnnn1[*:1] Cc1nn(C)c(C)c1NC(=O)CNc1ccc(F)c(c1)[*:1]
Cc1nn(C)c(C)c1NC(=O)CNc1ccc(F)c(-n2nnnc2C)c1 Cc1nn(C)c(C)c1[*:1] Cc1nnnn1-c1cc(ccc1F)NCC(=O)N[*:1]
CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)C1 c1ccc(cc1)[*:1] CCNC(=O)N1CCC[C@H](C1)c1cccc(c1)C(=O)N[C@@H](C)[*:1]
CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)C1 C[C@@H](c1ccccc1)[*:1] CCNC(=O)N1CCC[C@H](C1)c1cccc(c1)C(=O)N[*:1]
CC(C)(C(=O)N1CC(C(=O)NCC2CC2)C1)c1ccc(F)cc1 C1CC1C[*:1] CC(C)(C(=O)N1CC(C1)C(=O)N[*:1])c1ccc(F)cc1
CC(C)(C(=O)N1CC(C(=O)NCC2CC2)C1)c1ccc(F)cc1 O=C(NCC1CC1)[*:1] CC(C)(C(=O)N1CC(C1)[*:1])c1ccc(F)cc1
CC(C)(C(=O)N1CC(C(=O)NCC2CC2)C1)c1ccc(F)cc1 C1CC1[*:1] CC(C)(C(=O)N1CC(C1)C(=O)NC[*:1])c1ccc(F)cc1
CC(C)(C(=O)N1CC(C(=O)NCC2CC2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C(=O)N1CC(C1)C(=O)NCC1CC1)[*:1]
Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)s1 Cc1ccc(s1)[*:1] CC(C)N1CC[C@@H]([NH2+][C@H](C)[*:1])C1=O
Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)s1 CC(C)[*:1] Cc1ccc(s1)[C@@H](C)[NH2+][C@@H]1CCN(C1=O)[*:1]
CC(C)CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CC1 CC(C)C[*:1] O=C(c1cc(nc2c1cnn2Cc1cccc(F)c1)-c1ccccc1)N1CCN(CC1)C(=O)[*:1]
CC(C)CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CC1 CC(C)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1cc(nc2c1cnn2Cc1cccc(F)c1)-c1ccccc1
CC(C)CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CC(C)CC(=O)N1CCN(CC1)C(=O)c1cc(nc2c1cnn2C[*:1])-c1ccccc1
CC(C)CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CC1 c1ccc(cc1)[*:1] CC(C)CC(=O)N1CCN(CC1)C(=O)c1cc(nc2c1cnn2Cc1cccc(F)c1)[*:1]
CC(C)CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] CC(C)CC(=O)N1CCN(CC1)C(=O)c1cc(nc2c1cnn2[*:1])-c1ccccc1
O=C(/C=C/c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 C(=C[*:1])c1cccs1 O=C(N1CCN(CC1)c1cccc(Cl)c1)[*:1]
O=C(/C=C/c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(/C=C/c1cccs1)N1CCN(CC1)[*:1]
O=C(/C=C/c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 c1csc(c1)[*:1] O=C(C=C[*:1])N1CCN(CC1)c1cccc(Cl)c1
C[NH2+][C@@H](c1cc(F)c(Br)cc1F)[C@@]1(C)CCCO1 C[C@]1(CCCO1)[*:1] C[NH2+][C@@H](c1cc(F)c(Br)cc1F)[*:1]
CCC[NH2+][C@@H](CC1CC1)[C@@]1([NH+](C)C)CCC[C@H](C)C1 C1CC1C[*:1] CCC[NH2+][C@@H]([C@]1(CCC[C@H](C)C1)[NH+](C)C)[*:1]
CCC[NH2+][C@@H](CC1CC1)[C@@]1([NH+](C)C)CCC[C@H](C)C1 CCC[*:1] C[C@H]1CCC[C@@](C1)([C@H](CC1CC1)[NH2+][*:1])[NH+](C)C
CCC[NH2+][C@@H](CC1CC1)[C@@]1([NH+](C)C)CCC[C@H](C)C1 C1CC1[*:1] CCC[NH2+][C@@H](C[*:1])[C@]1(CCC[C@H](C)C1)[NH+](C)C
O=C(NCc1nnc2n1CCC2)C1(c2cccc(F)c2)CCCC1 Fc1cccc(c1)[*:1] O=C(NCc1nnc2CCCn21)C1(CCCC1)[*:1]
O=C(NCc1nnc2n1CCC2)C1(c2cccc(F)c2)CCCC1 C1Cc2nnc(n2C1)[*:1] O=C(NC[*:1])C1(CCCC1)c1cccc(F)c1
CCNC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c1 C1CCN(C1)[*:1] CCNC(=O)c1cccc(c1)NC(=O)CNc1cc(Cl)ccc1[*:1]
CCNC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c1 CCNC(=O)[*:1] O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1cccc(c1)[*:1]
O=C(c1cccc(Br)c1)N(C[C@H]1CCCO1)c1ccncc1 C1CO[C@H](C1)[*:1] O=C(c1cccc(Br)c1)N(C[*:1])c1ccncc1
O=C(c1cccc(Br)c1)N(C[C@H]1CCCO1)c1ccncc1 Brc1cccc(c1)[*:1] O=C(N(C[C@H]1CCCO1)c1ccncc1)[*:1]
O=C(c1cccc(Br)c1)N(C[C@H]1CCCO1)c1ccncc1 C1CO[C@H](C1)C[*:1] O=C(c1cccc(Br)c1)N(c1ccncc1)[*:1]
O=C(c1cccc(Br)c1)N(C[C@H]1CCCO1)c1ccncc1 c1cc(ccn1)[*:1] O=C(c1cccc(Br)c1)N(C[C@H]1CCCO1)[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)N3C(=O)[C@H](CC(=O)[O-])SC3=C2C#N)cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@@H]1C(C#N)=C(N)N2C(=O)[C@H](C[*:1])SC2=C1C#N
COc1ccc([C@@H]2C(C#N)=C(N)N3C(=O)[C@H](CC(=O)[O-])SC3=C2C#N)cc1 COc1ccc(cc1)[*:1] N#CC1=C(N)N2C(=O)[C@H](CC(=O)[O-])SC2=C(C#N)[C@@H]1[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)N3C(=O)[C@H](CC(=O)[O-])SC3=C2C#N)cc1 O=C([O-])C[*:1] COc1ccc(cc1)[C@@H]1C(C#N)=C(N)N2C(=O)[C@H](SC2=C1C#N)[*:1]
CC(C)N(CC/C(N)=N/O)C(=O)N1CCCCC1 CC(C)[*:1] N/C(CCN(C(=O)N1CCCCC1)[*:1])=N\O
CC(C)N(CC/C(N)=N/O)C(=O)N1CCCCC1 N/C(CC[*:1])=N\O CC(C)N(C(=O)N1CCCCC1)[*:1]
CC(C)N(CC/C(N)=N/O)C(=O)N1CCCCC1 N/C(C[*:1])=N\O CC(C)N(C[*:1])C(=O)N1CCCCC1
CC(C)N(CC/C(N)=N/O)C(=O)N1CCCCC1 N/C(=N\O)[*:1] CC(C)N(CC[*:1])C(=O)N1CCCCC1
COc1cc(F)cc(CNC(=O)N(CCC(F)(F)F)C2CCC2)c1 FC(F)(F)[*:1] COc1cc(F)cc(c1)CNC(=O)N(CC[*:1])C1CCC1
COc1cc(F)cc(CNC(=O)N(CCC(F)(F)F)C2CCC2)c1 FC(F)(F)C[*:1] COc1cc(F)cc(c1)CNC(=O)N(C[*:1])C1CCC1
COc1cc(F)cc(CNC(=O)N(CCC(F)(F)F)C2CCC2)c1 FC(F)(F)CC[*:1] COc1cc(F)cc(c1)CNC(=O)N(C1CCC1)[*:1]
COc1cc(F)cc(CNC(=O)N(CCC(F)(F)F)C2CCC2)c1 C1CC(C1)[*:1] COc1cc(F)cc(c1)CNC(=O)N(CCC(F)(F)F)[*:1]
COc1ccc(O[C@H](C)CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)O[*:1]
COc1ccc(OC)c(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(OC)c(/C=C(\C(=O)c2ccccc2)[*:1])c1
COc1ccc(OC)c(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(/C=C(\C(=O)[*:1])c2nc3ccccc3[nH]2)c1
COc1ccc(OC)c(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c1 O=C(c1ccccc1)[*:1] COc1ccc(OC)c(C=C(c2nc3ccccc3[nH]2)[*:1])c1
O=[N+]([O-])c1ccc(Cl)cc1OCc1nccn1CC(F)(F)F O=[N+]([O-])[*:1] FC(F)(F)Cn1ccnc1COc1cc(Cl)ccc1[*:1]
O=[N+]([O-])c1ccc(Cl)cc1OCc1nccn1CC(F)(F)F FC(F)(F)[*:1] O=[N+]([O-])c1ccc(Cl)cc1OCc1nccn1C[*:1]
O=[N+]([O-])c1ccc(Cl)cc1OCc1nccn1CC(F)(F)F FC(F)(F)C[*:1] O=[N+]([O-])c1ccc(Cl)cc1OCc1nccn1[*:1]
Cn1c(=O)c2c(nc(N3CC[NH+](C)CC3)n2CC(N)=O)n(C)c1=O NC(=O)[*:1] Cn1c(=O)c2c(nc(N3CC[NH+](C)CC3)n2C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CC[NH+](C)CC3)n2CC(N)=O)n(C)c1=O NC(=O)C[*:1] Cn1c(=O)c2c(nc(N3CC[NH+](C)CC3)n2[*:1])n(C)c1=O
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)[O-])n2C)cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1nnc(S[C@@H](C)[*:1])n1C
N/C(=N\OC(=O)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 Brc1ccccc1[*:1] N/C(=N\OC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
N/C(=N\OC(=O)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] N/C(=N\OC(=O)c1ccccc1Br)c1ccc(cc1)[*:1]
O=[N+]([O-])c1cccc(-c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cccc(c1)-c1cccc(c1)[*:1]
Cc1ccc(C)c(NC(=O)[C@H](C)O/N=C/C(=O)Nc2ccc(F)cc2)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](O/N=C/C(=O)Nc1ccc(F)cc1)C(=O)N[*:1]
Cc1ccc(C)c(NC(=O)[C@H](C)O/N=C/C(=O)Nc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](C)O/N=C/C(=O)N[*:1]
CCC(CC)n1ccc(Cn2nnc(N)c2C(C)(C)C)n1 CC(C)(C)[*:1] CCC(CC)n1ccc(Cn2nnc(N)c2[*:1])n1
CCC(CC)n1ccc(Cn2nnc(N)c2C(C)(C)C)n1 CCC(CC)[*:1] CC(C)(C)c1c(N)nnn1Cc1ccn(n1)[*:1]
CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O CCC[*:1] O=C(CN1C(=O)N[C@H](C1=O)[*:1])Nc1ccc(F)c(Cl)c1
OCc1cc(Cl)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] OCc1cc(Cl)ccc1OC[*:1]
O=C(NCCN1CCN(C(=O)c2ccccc2)CC1)c1nc([O-])c2ccccc2n1 c1ccc(cc1)[*:1] O=C(NCCN1CCN(CC1)C(=O)[*:1])c1nc([O-])c2ccccc2n1
COc1ccc(CN2CCO[C@@H](CO)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])CN1CCO[C@@H](CO)C1
Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O O=S(=O)(N1CCCCC1)[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc(ccc1O)[*:1]
Cn1c(=O)c2c(nc(SCC(=O)c3ccccc3F)n2Cc2ccccc2)n(C)c1=O O=C(c1ccccc1F)[*:1] Cn1c(=O)c2c(nc(SC[*:1])n2Cc2ccccc2)n(C)c1=O
Cn1c(=O)c2c(nc(SCC(=O)c3ccccc3F)n2Cc2ccccc2)n(C)c1=O c1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(SCC(=O)c3ccccc3F)n2[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(SCC(=O)c3ccccc3F)n2Cc2ccccc2)n(C)c1=O O=C(C[*:1])c1ccccc1F Cn1c(=O)c2c(nc(S[*:1])n2Cc2ccccc2)n(C)c1=O
Cn1c(=O)c2c(nc(SCC(=O)c3ccccc3F)n2Cc2ccccc2)n(C)c1=O Fc1ccccc1[*:1] Cn1c(=O)c2c(nc(SCC(=O)[*:1])n2Cc2ccccc2)n(C)c1=O
Cn1c(=O)c2c(nc(SCC(=O)c3ccccc3F)n2Cc2ccccc2)n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(SCC(=O)c3ccccc3F)n2C[*:1])n(C)c1=O
O=C(Cc1cccc(C(F)(F)F)c1)N[C@H](CO)c1ccccc1F Fc1ccccc1[*:1] O=C(Cc1cccc(c1)C(F)(F)F)N[C@H](CO)[*:1]
O=C(Cc1cccc(C(F)(F)F)c1)N[C@H](CO)c1ccccc1F FC(F)(F)[*:1] O=C(Cc1cccc(c1)[*:1])N[C@H](CO)c1ccccc1F
C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)C1CCC1 C1CC1[*:1] C[C@@H]([NH2+]Cc1nc(cs1)[*:1])C1CCC1
C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)C1CCC1 C1CC(C1)[*:1] C[C@@H]([NH2+]Cc1nc(cs1)C1CC1)[*:1]
Cc1ccc(NCCCC(=O)N/N=C2\CCCC[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCCC/C1=N\NC(=O)CCCN[*:1]
O=C1CCC[C@H]1[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 O=C1CCC[C@@H]1[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1[*:1]
COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccc(C)cc2)c1 COc1ccc(OC)c(c1)[*:1] Cc1ccc(cc1)C(=O)[C@H]1C(=NO[C@@]12C(=O)Nc1ccccc12)[*:1]
COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)C1=NO[C@@]2(C(=O)Nc3ccccc32)[C@H]1C(=O)[*:1]
COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)C(=O)[*:1] COc1ccc(OC)c(c1)C1=NO[C@@]2(C(=O)Nc3ccccc32)[C@@H]1[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1C Cc1ccc(cc1C)NC(=O)[*:1] O=S(=O)(c1ccc2nc(ccc2c1)N1CCC[C@@H](C1)[*:1])N1CCCC1
Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1C O=S(=O)(N1CCCC1)[*:1] Cc1ccc(cc1C)NC(=O)[C@H]1CCCN(C1)c1ccc2cc(ccc2n1)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc2cc(ccc2n1)S(=O)(=O)N1CCCC1
Cc1ccsc1CNC(=O)CC[NH3+] [NH3+]CC[*:1] Cc1ccsc1CNC(=O)[*:1]
CCC[NH2+][C@@H](CC)c1ccn(Cc2c(C)noc2C)c1 CCC[*:1] CC[C@H]([NH2+][*:1])c1ccn(c1)Cc1c(C)noc1C
COc1ccc(N(C)C(=O)c2cc(C(=O)N(C)c3ccc(OC)cc3)cc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)N(C)C(=O)c1cc(cc(c1)[*:1])C(=O)N(C)c1ccc(cc1)OC
COc1ccc(N(C)C(=O)c2cc(C(=O)N(C)c3ccc(OC)cc3)cc([N+](=O)[O-])c2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)N(C)C(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N(C)[*:1]
C=CCOc1cc(Br)c(C(=O)NN)cc1OCC C=CCO[*:1] CCOc1cc(C(=O)NN)c(Br)cc1[*:1]
C=CCOc1cc(Br)c(C(=O)NN)cc1OCC C=CC[*:1] CCOc1cc(C(=O)NN)c(Br)cc1O[*:1]
C=CCOc1cc(Br)c(C(=O)NN)cc1OCC NNC(=O)[*:1] C=CCOc1cc(Br)c(cc1OCC)[*:1]
C=CCOc1cc(Br)c(C(=O)NN)cc1OCC CCO[*:1] C=CCOc1cc(Br)c(cc1[*:1])C(=O)NN
COCCCNC1=[NH+][C@@H](C)CS1 COC[*:1] C[C@H]1CSC(NCC[*:1])=[NH+]1
COCCCNC1=[NH+][C@@H](C)CS1 COCC[*:1] C[C@H]1CSC(NC[*:1])=[NH+]1
COC(=O)c1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c1 COC(=O)[*:1] O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)Nc1cccc(c1)[*:1]
COC(=O)c1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c1 COC(=O)c1cccc(c1)[*:1] O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)N[*:1]
CC(C)(C)OC(=O)N1CCC(N)(C(N)=O)CC1 NC(=O)[*:1] CC(C)(C)OC(=O)N1CCC(N)(CC1)[*:1]
CC(C)(C)OC(=O)N1CCC(N)(C(N)=O)CC1 CC(C)(C)[*:1] NC(=O)C1(N)CCN(CC1)C(=O)O[*:1]
Cc1nc2sc([C@H](c3cccc(Br)c3)[NH+]3CCCC3)c(O)n2n1 Brc1cccc(c1)[*:1] Cc1nc2sc(c(O)n2n1)[C@H]([NH+]1CCCC1)[*:1]
COCC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 COCC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CCCC[C@@H]1C(=O)N1CCCC1
COCC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] COCC[C@H](C)NC(=O)[C@H]1CCCC[C@H]1[*:1]
COCC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 COC[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1
COCC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 COCC[*:1] C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1)[*:1]
CCN(Cc1cccs1)C(=O)/C=C/c1ccc(F)cc1 c1csc(c1)[*:1] CCN(C[*:1])C(=O)/C=C/c1ccc(F)cc1
CCN(Cc1cccs1)C(=O)/C=C/c1ccc(F)cc1 c1csc(c1)C[*:1] CCN(C(=O)/C=C/c1ccc(F)cc1)[*:1]
CS(=O)(=O)c1ccc(CNC(=O)c2c[nH]c3nccc(Cl)c23)cc1 CS(=O)(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1c[nH]c2nccc(Cl)c12
CC(C)(C)[C@@]1(c2cccc(F)c2)CCC[NH2+]1 CC(C)(C)[*:1] Fc1cccc(c1)[C@]1(CCC[NH2+]1)[*:1]
O=C(c1cc(-c2ccccn2)nc2c(Cl)cccc12)N1CCN(C(=O)[C@@H]2CCCO2)CC1 c1ccc(nc1)[*:1] O=C(c1cc(nc2c(Cl)cccc12)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
COC1CCN(C(=O)C(=O)Nc2ccccc2Oc2ccccc2)CC1 c1ccc(cc1)[*:1] COC1CCN(CC1)C(=O)C(=O)Nc1ccccc1O[*:1]
COC1CCN(C(=O)C(=O)Nc2ccccc2Oc2ccccc2)CC1 c1ccc(cc1)O[*:1] COC1CCN(CC1)C(=O)C(=O)Nc1ccccc1[*:1]
C[C@@H](NC(=O)N(C)Cc1ccco1)c1nc(-c2ccc(F)cc2)no1 c1coc(c1)[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1nc(no1)-c1ccc(F)cc1
C[C@@H](NC(=O)N(C)Cc1ccco1)c1nc(-c2ccc(F)cc2)no1 c1coc(c1)C[*:1] C[C@@H](NC(=O)N(C)[*:1])c1nc(no1)-c1ccc(F)cc1
C[C@@H](NC(=O)N(C)Cc1ccco1)c1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)N(C)Cc1ccco1)c1nc(no1)[*:1]
Cc1cc(Cl)ccc1OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1OC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cc(Cl)ccc1OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 Cc1cc(Cl)ccc1[*:1] O=C(O[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1
CC[C@@H](C)C[C@H](C)NC(=O)Cc1nc(-c2cccs2)oc1C c1csc(c1)[*:1] CC[C@@H](C)C[C@H](C)NC(=O)Cc1nc(oc1C)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)Cc1nc(-c2cccs2)oc1C CC[C@@H](C)[*:1] Cc1oc(nc1CC(=O)N[C@@H](C)C[*:1])-c1cccs1
CC[C@@H](C)C[C@H](C)NC(=O)Cc1nc(-c2cccs2)oc1C CC[C@@H](C)C[*:1] Cc1oc(nc1CC(=O)N[C@@H](C)[*:1])-c1cccs1
O=C(NCCCc1ccco1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 c1coc(c1)C[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)c1nnc(s1)N1CCCC1=O
O=C(NCCCc1ccco1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 O=C1CCCN1[*:1] O=C(NCCCc1ccco1)[C@H]1CCCN(C1)c1nnc(s1)[*:1]
O=C(NCCCc1ccco1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 c1coc(c1)CC[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nnc(s1)N1CCCC1=O
O=C(NCCCc1ccco1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 c1coc(c1)[*:1] O=C(NCCC[*:1])[C@H]1CCCN(C1)c1nnc(s1)N1CCCC1=O
O=C(NCCCc1ccco1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 c1coc(c1)CCC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nnc(s1)N1CCCC1=O
COCC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C COC[*:1] C[C@@H]1CCC[C@H]([C@@H]1C)N(Cc1ccc2OCOc2c1)C(=O)[*:1]
CCS(=O)(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CCS(=O)(=O)N1CCC(CC1)CNC(=O)O[*:1]
Cc1ccsc1CNC(=O)CSCc1ncoc1C(C)C CC(C)[*:1] Cc1ccsc1CNC(=O)CSCc1ncoc1[*:1]
Cc1ccsc1CNC(=O)CSCc1ncoc1C(C)C Cc1ccsc1[*:1] CC(C)c1ocnc1CSCC(=O)NC[*:1]
Cc1ccsc1CNC(=O)CSCc1ncoc1C(C)C Cc1ccsc1C[*:1] CC(C)c1ocnc1CSCC(=O)N[*:1]
N#Cc1ccnc(Oc2cccc(C(=O)[O-])c2)c1 O=C([O-])[*:1] N#Cc1ccnc(c1)Oc1cccc(c1)[*:1]
Cn1c(SCC(=O)[O-])nnc1-c1ccccc1Br O=C([O-])CS[*:1] Cn1c(nnc1[*:1])-c1ccccc1Br
Cn1c(SCC(=O)[O-])nnc1-c1ccccc1Br O=C([O-])C[*:1] Cn1c(nnc1-c1ccccc1Br)S[*:1]
Cn1c(SCC(=O)[O-])nnc1-c1ccccc1Br O=C([O-])[*:1] Cn1c(nnc1-c1ccccc1Br)SC[*:1]
CCn1/c(=N/C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)sc2cc(F)ccc21 COc1ccc(cc1)[*:1] CCn1/c(=N/C(=O)C2CCN(CC2)S(=O)(=O)[*:1])sc2cc(F)ccc21
CCn1nc(C)c(C(=O)N2CCN(CCOC)C(=O)C2)c1Cl COCC[*:1] CCn1nc(C)c(C(=O)N2CCN(C(=O)C2)[*:1])c1Cl
CCn1nc(C)c(C(=O)N2CCN(CCOC)C(=O)C2)c1Cl COC[*:1] CCn1nc(C)c(C(=O)N2CCN(C[*:1])C(=O)C2)c1Cl
COc1ccc(-c2cn3c(C(=O)N(C)Cc4nc(C)c[nH]4)csc3n2)cc1F COc1ccc(cc1F)[*:1] Cc1c[nH]c(CN(C)C(=O)c2csc3nc(cn23)[*:1])n1
C[C@H]1C[C@@H]([NH2+]Cc2ccccn2)CCN1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1C[C@H](CCN1[*:1])[NH2+]Cc1ccccn1
C[C@H]1C[C@@H]([NH2+]Cc2ccccn2)CCN1Cc1ccccc1 c1ccc(nc1)[*:1] C[C@H]1C[C@H](CCN1Cc1ccccc1)[NH2+]C[*:1]
C[C@H]1C[C@@H]([NH2+]Cc2ccccn2)CCN1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CCN1C[*:1])[NH2+]Cc1ccccn1
C[C@H]1C[C@@H]([NH2+]Cc2ccccn2)CCN1Cc1ccccc1 c1ccc(C[*:1])nc1 C[C@H]1C[C@H](CCN1Cc1ccccc1)[NH2+][*:1]
COC(C)(C)c1noc(CC(C)(C)[NH3+])n1 CC(C)([NH3+])[*:1] COC(C)(C)c1noc(C[*:1])n1
COC(C)(C)c1noc(CC(C)(C)[NH3+])n1 COC(C)(C)[*:1] CC(C)([NH3+])Cc1nc(no1)[*:1]
COC(C)(C)c1noc(CC(C)(C)[NH3+])n1 CC(C)([NH3+])C[*:1] COC(C)(C)c1noc(n1)[*:1]
O=C(Oc1cccc(Cl)c1)[C@H]1CCCN1c1ncnc2sccc12 Clc1cccc(c1)[*:1] O=C(O[*:1])[C@H]1CCCN1c1ncnc2sccc12
CC(C)[C@H](NC(=O)N(C)C[C@@H](C)O)c1nc(-c2ccncc2)no1 C[C@@H](O)C[*:1] CC(C)[C@H](NC(=O)N(C)[*:1])c1nc(no1)-c1ccncc1
CC(C)[C@H](NC(=O)N(C)C[C@@H](C)O)c1nc(-c2ccncc2)no1 CC(C)[*:1] C[C@@H](O)CN(C)C(=O)N[C@H](c1nc(no1)-c1ccncc1)[*:1]
CC(C)[C@H](NC(=O)N(C)C[C@@H](C)O)c1nc(-c2ccncc2)no1 C[C@@H](O)[*:1] CC(C)[C@H](NC(=O)N(C)C[*:1])c1nc(no1)-c1ccncc1
CC(C)[C@H](NC(=O)N(C)C[C@@H](C)O)c1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] CC(C)[C@H](NC(=O)N(C)C[C@@H](C)O)c1nc(no1)[*:1]
Cc1[nH]nc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1[N+](=O)[O-] Fc1ccc(F)c(c1)[*:1] Cc1[nH]nc(C(=O)N2C[C@@H](O)C[C@H]2[*:1])c1[N+](=O)[O-]
Cc1[nH]nc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1[nH]nc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1[*:1]
COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)C1(CCCC1)c1ccc(cc1)[*:1])-c1nn2c(C)nnc2s1
COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 Cc1nnc2sc(nn12)[*:1] COc1ccc(cc1NC(=O)C1(CCCC1)c1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)C1(CCCC1)[*:1])-c1nn2c(C)nnc2s1
O=C1c2ccccc2N[C@@]2(C(=O)Nc3cc(F)ccc32)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2N[C@@]2(C(=O)Nc3cc(F)ccc32)N1C[*:1]
O=C1c2ccccc2N[C@@]2(C(=O)Nc3cc(F)ccc32)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1c2ccccc2N[C@@]2(C(=O)Nc3cc(F)ccc32)N1[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 c1ccc(C[*:1])nc1 O=C(c1ccc(o1)[N+](=O)[O-])N(c1nc2c(Cl)cccc2s1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 O=[N+]([O-])[*:1] O=C(c1ccc(o1)[*:1])N(Cc1ccccn1)c1nc2c(Cl)cccc2s1
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 c1ccc(nc1)[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N(C[*:1])c1nc2c(Cl)cccc2s1
O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(N(Cc1ccccn1)c1nc2c(Cl)cccc2s1)[*:1]
CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1C Cc1ccccc1[*:1] CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1[*:1]
CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1C c1cc(ccn1)[*:1] CC(=O)c1ccccc1NC(=O)CSc1nnc(n1-c1ccccc1C)[*:1]
CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1C CC(=O)[*:1] Cc1ccccc1-n1c(nnc1-c1ccncc1)SCC(=O)Nc1ccccc1[*:1]
CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1C CC(=O)c1ccccc1[*:1] Cc1ccccc1-n1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)C(=O)C2 FC(F)(F)[*:1] CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1cccc(c1)[*:1])C(=O)C2
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)C(=O)C2 FC(F)(F)c1cccc(c1)[*:1] CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)[*:1])C(=O)C2
C=CC[NH2+]Cc1c(Cl)cccc1Cl C=CC[*:1] Clc1cccc(Cl)c1C[NH2+][*:1]
CCc1nnc(-c2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)o1 CCc1nnc(o1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H]1CC([NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C[C@@H](C)C1 O=C(NC1CCCC1)[*:1] C[C@@H]1CC(C[C@@H](C)C1)[NH+]1CCN(CC1)[C@@H](C)[*:1]
C[C@@H]1CC([NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C[C@@H](C)C1 C1CCC(C1)[*:1] C[C@@H]1CC(C[C@@H](C)C1)[NH+]1CCN(CC1)[C@@H](C)C(=O)N[*:1]
CC(C)CCCCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 CC(C)CC[*:1] O=C(NCC[*:1])[C@@H]1CCC[C@@H](C1)C(F)(F)F
CC(C)CCCCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 CC(C)[*:1] O=C(NCCCC[*:1])[C@@H]1CCC[C@@H](C1)C(F)(F)F
CC(C)CCCCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 CC(C)CCC[*:1] O=C(NC[*:1])[C@@H]1CCC[C@@H](C1)C(F)(F)F
CC(C)CCCCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 CC(C)C[*:1] O=C(NCCC[*:1])[C@@H]1CCC[C@@H](C1)C(F)(F)F
CC(C)CCCCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CC(C)CCCCNC(=O)[C@@H]1CCC[C@H](C1)[*:1]
CN(CC(=O)N1c2ccccc2C[C@H]1C(N)=O)S(=O)(=O)c1ccc(F)cc1 NC(=O)[*:1] CN(CC(=O)N1c2ccccc2C[C@@H]1[*:1])S(=O)(=O)c1ccc(F)cc1
CN(CC(=O)N1c2ccccc2C[C@H]1C(N)=O)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CC(=O)N1c2ccccc2C[C@H]1C(N)=O)S(=O)(=O)[*:1]
Cc1nc(-c2cccc(C(=O)NC3(C(=O)NCC(C)C)CCCC3)c2)n[nH]1 CC(C)CNC(=O)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)NC1(CCCC1)[*:1]
Cc1nc(-c2cccc(C(=O)NC3(C(=O)NCC(C)C)CCCC3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] CC(C)CNC(=O)C1(CCCC1)NC(=O)c1cccc(c1)[*:1]
Cc1nc(-c2cccc(C(=O)NC3(C(=O)NCC(C)C)CCCC3)c2)n[nH]1 CC(C)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)NC1(CCCC1)C(=O)NC[*:1]
Cc1nc(-c2cccc(C(=O)NC3(C(=O)NCC(C)C)CCCC3)c2)n[nH]1 CC(C)C[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)NC1(CCCC1)C(=O)N[*:1]
COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)Cc3ccccc3)CC2)nc1N COc1ccccc1[*:1] Nc1nc(ccc1C(=O)N[*:1])C1CCN(CC1)C(=O)Cc1ccccc1
COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)Cc3ccccc3)CC2)nc1N c1ccc(cc1)C[*:1] COc1ccccc1NC(=O)c1ccc(nc1N)C1CCN(CC1)C(=O)[*:1]
COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)Cc3ccccc3)CC2)nc1N c1ccc(cc1)[*:1] COc1ccccc1NC(=O)c1ccc(nc1N)C1CCN(CC1)C(=O)C[*:1]
COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)Cc3ccccc3)CC2)nc1N COc1ccccc1NC(=O)[*:1] Nc1nc(ccc1[*:1])C1CCN(CC1)C(=O)Cc1ccccc1
Cc1ccc(CN/C([O-])=C/n2ccc3sccc3c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c2ccsc2ccn1/C=C(\[O-])NC[*:1]
COCCN(Cc1ccc2c(c1)OCO2)Cc1ncccc1C COCC[*:1] Cc1cccnc1CN(Cc1ccc2OCOc2c1)[*:1]
COCCN(Cc1ccc2c(c1)OCO2)Cc1ncccc1C COC[*:1] Cc1cccnc1CN(Cc1ccc2OCOc2c1)C[*:1]
COCCN(Cc1ccc2c(c1)OCO2)Cc1ncccc1C Cc1cccnc1[*:1] COCCN(Cc1ccc2OCOc2c1)C[*:1]
COC(=O)[C@]1(F)CCN(C(=O)C[C@H](C)Cc2ccc(Cl)cc2)C1 COC(=O)[*:1] C[C@@H](CC(=O)N1CC[C@@](F)(C1)[*:1])Cc1ccc(Cl)cc1
COC(=O)[C@]1(F)CCN(C(=O)C[C@H](C)Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)C[C@H](C)C[*:1]
COc1ccccc1NC(=O)NCc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 COc1ccccc1[*:1] O=C(NCc1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N[*:1]
CC(=O)c1ccc(O[C@H](C)C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 Brc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)O[C@H](C)C(=O)NCc1ccc(o1)[*:1]
CC(=O)c1ccc(O[C@H](C)C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 CC(=O)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)NCc1ccc(o1)-c1ccc(Br)cc1
CC(=O)c1ccc(O[C@H](C)C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 CC(=O)c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NCc1ccc(o1)-c1ccc(Br)cc1
CCc1ccc(NC(=O)CSc2nc3ccccc3n3cnnc23)cc1 CCc1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2n2cnnc12)N[*:1]
O=C(Nc1ccc(N2CCCCC2)cc1C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1cc(ccc1NC(=O)[*:1])N1CCCCC1
O=C(Nc1ccc(N2CCCCC2)cc1C(=O)[O-])c1ccccc1 C1CCN(CC1)[*:1] O=C(Nc1ccc(cc1C(=O)[O-])[*:1])c1ccccc1
O=C(Nc1ccc(N2CCCCC2)cc1C(=O)[O-])c1ccccc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1[*:1])N1CCCCC1)c1ccccc1
COc1ccc([C@@H]2c3c(nc(N4CCC(Cc5ccccc5)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1c2c(nc([nH]c2=O)N2CCC(CC2)C[*:1])NC(=O)[C@@H]1C#N
COc1ccc([C@@H]2c3c(nc(N4CCC(Cc5ccccc5)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC COc1ccc(cc1OC)[*:1] N#C[C@H]1C(=O)Nc2nc([nH]c(=O)c2[C@H]1[*:1])N1CCC(CC1)Cc1ccccc1
COc1ccc([C@@H]2c3c(nc(N4CCC(Cc5ccccc5)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)[C@@H]1c2c(nc([nH]c2=O)N2CCC(CC2)[*:1])NC(=O)[C@@H]1C#N
CCOC(=O)c1ccc(CN2CCO[C@@H](c3nc(C)cs3)C2)o1 Cc1csc(n1)[*:1] CCOC(=O)c1ccc(CN2CCO[C@@H](C2)[*:1])o1
CCOC(=O)c1ccc(CN2CCO[C@@H](c3nc(C)cs3)C2)o1 CCOC(=O)[*:1] Cc1csc(n1)[C@H]1CN(CCO1)Cc1ccc(o1)[*:1]
COc1cccc(OC)c1OC[C@@H](O)CN1CCOCC1 C1CN(CCO1)C[*:1] COc1cccc(OC)c1OC[C@@H](O)[*:1]
COc1cccc(OC)c1OC[C@@H](O)CN1CCOCC1 C1CN(CCO1)[*:1] COc1cccc(OC)c1OC[C@@H](O)C[*:1]
CC(C)(C)[C@@H](O)CCc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@@H](O)CCc1nnnn1[*:1]
CC(C)(C)[C@@H](O)CCc1nnnn1-c1ccccc1 CC(C)(C)[C@@H](O)[*:1] c1ccc(cc1)-n1nnnc1CC[*:1]
CC(C)(C)[C@@H](O)CCc1nnnn1-c1ccccc1 CC(C)(C)[*:1] O[C@@H](CCc1nnnn1-c1ccccc1)[*:1]
COc1cc(NCc2ccc(O)c([N+](=O)[O-])c2)cc(OC)c1 O=[N+]([O-])[*:1] COc1cc(cc(c1)OC)NCc1ccc(O)c(c1)[*:1]
O=S(=O)(Cc1ccccc1Cl)/N=C(\[O-])[C@H]1C[C@@H]1c1ccco1 c1coc(c1)[*:1] O=S(=O)(Cc1ccccc1Cl)/N=C(\[O-])[C@H]1C[C@H]1[*:1]
O=S(=O)(Cc1ccccc1Cl)/N=C(\[O-])[C@H]1C[C@@H]1c1ccco1 Clc1ccccc1[*:1] O=S(=O)(C[*:1])/N=C(\[O-])[C@H]1C[C@@H]1c1ccco1
CCn1c([C@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)nc2ccccc21 Clc1ccc(s1)[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+][C@H](C)[*:1]
Cc1nc(C)c(C(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)s1 Cc1nc(C)c(s1)[*:1] CC(C)NC(=O)Nc1nc2CCN(Cc2s1)C(=O)[*:1]
Cc1nc(C)c(C(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)s1 CC(C)NC(=O)N[*:1] Cc1nc(C)c(s1)C(=O)N1CCc2nc(sc2C1)[*:1]
Cc1nc(C)c(C(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)s1 CC(C)[*:1] Cc1nc(C)c(s1)C(=O)N1CCc2nc(NC(=O)N[*:1])sc2C1
Fc1cccc(-n2cc([C@H]3[NH2+]CCc4[nH]cnc43)cn2)c1 Fc1cccc(c1)[*:1] c1nc2c(CC[NH2+][C@@H]2c2cnn(c2)[*:1])[nH]1
CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 Fc1ccc(cc1Cl)[*:1] CCC(=O)N1CCCc2ccc(cc21)NS(=O)(=O)[*:1]
NC(=O)Cc1c[nH]c2ccc(O)cc12 NC(=O)[*:1] Oc1ccc2[nH]cc(C[*:1])c2c1
NC(=O)Cc1c[nH]c2ccc(O)cc12 NC(=O)C[*:1] Oc1ccc2[nH]cc(c2c1)[*:1]
CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cccc3cn[nH]c23)c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)c1cccc2cn[nH]c12)[*:1]
CC[NH2+]Cc1sc(N2CCOC(C)(C)C2)nc1C(C)C CC(C)[*:1] CC[NH2+]Cc1sc(nc1[*:1])N1CCOC(C)(C)C1
CCc1nn(C)cc1C(=O)NCCOCC(C)C CC(C)CO[*:1] CCc1nn(C)cc1C(=O)NCC[*:1]
CCc1nn(C)cc1C(=O)NCCOCC(C)C CC(C)C[*:1] CCc1nn(C)cc1C(=O)NCCO[*:1]
CCc1nn(C)cc1C(=O)NCCOCC(C)C CC(C)COC[*:1] CCc1nn(C)cc1C(=O)NC[*:1]
CCc1nn(C)cc1C(=O)NCCOCC(C)C CC(C)[*:1] CCc1nn(C)cc1C(=O)NCCOC[*:1]
Cc1cc(CCC(=O)[O-])cc([C@@H]2CCCN2C(=O)c2cccnc2)[nH+]1 O=C([O-])C[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1C(=O)c1cccnc1)C[*:1]
Cc1cc(CCC(=O)[O-])cc([C@@H]2CCCN2C(=O)c2cccnc2)[nH+]1 O=C([O-])[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1C(=O)c1cccnc1)CC[*:1]
Cc1cc(CCC(=O)[O-])cc([C@@H]2CCCN2C(=O)c2cccnc2)[nH+]1 c1cncc(c1)[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1C(=O)[*:1])CCC(=O)[O-]
Cc1cc(CCC(=O)[O-])cc([C@@H]2CCCN2C(=O)c2cccnc2)[nH+]1 O=C([O-])CC[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1C(=O)c1cccnc1)[*:1]
CC(C)CCOc1ccc(NC(=O)NCC2(O)CCOCC2)cc1 CC(C)CC[*:1] O=C(NCC1(O)CCOCC1)Nc1ccc(cc1)O[*:1]
CC(C)CCOc1ccc(NC(=O)NCC2(O)CCOCC2)cc1 OC1(CCOCC1)[*:1] CC(C)CCOc1ccc(cc1)NC(=O)NC[*:1]
CC(C)CCOc1ccc(NC(=O)NCC2(O)CCOCC2)cc1 CC(C)[*:1] O=C(NCC1(O)CCOCC1)Nc1ccc(cc1)OCC[*:1]
CC(C)CCOc1ccc(NC(=O)NCC2(O)CCOCC2)cc1 OC1(CCOCC1)C[*:1] CC(C)CCOc1ccc(cc1)NC(=O)N[*:1]
CC(C)CCOc1ccc(NC(=O)NCC2(O)CCOCC2)cc1 CC(C)C[*:1] O=C(NCC1(O)CCOCC1)Nc1ccc(cc1)OC[*:1]
CC(C)CCOc1ccc(NC(=O)NCC2(O)CCOCC2)cc1 CC(C)CCO[*:1] O=C(NCC1(O)CCOCC1)Nc1ccc(cc1)[*:1]
C[C@H](NC(=O)N1CCc2cc(F)ccc2C1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](NC(=O)N1CCc2cc(F)ccc2C1)C(=O)N[*:1]
C[C@H](NC(=O)N1CCc2cc(F)ccc2C1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)N1CCc2cc(F)ccc2C1)C(=O)NC[*:1]
Cc1ccc(NC(=O)CSC2=NN[C@@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2c2cc(C)ccc2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(C)c(c1)N1C(=NN[C@H]1Cc1cc(=O)[nH]c(=O)[nH]1)SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSC2=NN[C@@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2c2cc(C)ccc2C)c(C)c1 Cc1ccc(NC(=O)[*:1])c(C)c1 Cc1ccc(C)c(c1)N1C(=NN[C@H]1Cc1cc(=O)[nH]c(=O)[nH]1)SC[*:1]
Cc1ccc(NC(=O)CSC2=NN[C@@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2c2cc(C)ccc2C)c(C)c1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(NC(=O)CSC2=NN[C@@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2[*:1])c(C)c1
Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3ccccc32)ccc1-n1cnnn1 c1nnnn1[*:1] Cc1cc(ccc1[*:1])NC(=O)C(=O)N[C@@H]1CCc2ccccc21
Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3ccccc32)ccc1-n1cnnn1 c1ccc2c(c1)CC[C@H]2[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)C(=O)N[*:1]
CCOC(=O)[C@H](N)[C@@H]1CCOC2(CCSCC2)C1 CCOC(=O)[*:1] N[C@H]([C@@H]1CCOC2(CCSCC2)C1)[*:1]
COc1ccc(CCn2c(=O)c3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCn1c(=O)c2cccnc2n(C[*:1])c1=O
COc1ccc(CCn2c(=O)c3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1OC Fc1ccc(cc1)C[*:1] COc1ccc(cc1OC)CCn1c(=O)c2cccnc2n(c1=O)[*:1]
COc1ccc(CCn2c(=O)c3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1OC COc1ccc(cc1OC)[*:1] O=c1c2cccnc2n(Cc2ccc(F)cc2)c(=O)n1CC[*:1]
O=C(NCCCCN1CCOCC1)N1CC[NH+](CC2CC2)CC1 C1CN(CCO1)C[*:1] O=C(NCCC[*:1])N1CC[NH+](CC1)CC1CC1
O=C(NCCCCN1CCOCC1)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] O=C(NCCCCN1CCOCC1)N1CC[NH+](CC1)[*:1]
O=C(NCCCCN1CCOCC1)N1CC[NH+](CC2CC2)CC1 C1CN(CCO1)[*:1] O=C(NCCCC[*:1])N1CC[NH+](CC1)CC1CC1
O=C(NCCCCN1CCOCC1)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] O=C(NCCCCN1CCOCC1)N1CC[NH+](CC1)C[*:1]
CCC[C@@H](O)c1ccn(C[C@H]2Cc3cc(F)ccc3O2)c1 CCC[*:1] O[C@@H](c1ccn(c1)C[C@H]1Cc2cc(F)ccc2O1)[*:1]
CCC[C@@H](O)c1ccn(C[C@H]2Cc3cc(F)ccc3O2)c1 CCC[C@@H](O)[*:1] Fc1ccc2O[C@H](Cc2c1)Cn1ccc(c1)[*:1]
C[C@H]1OCC[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCN(CC1)[*:1]
CCn1cc(C#N)c(=O)n(CC(=O)N(CCC#N)c2ccc(F)cc2)c1=O N#CC[*:1] CCn1cc(C#N)c(=O)n(CC(=O)N(C[*:1])c2ccc(F)cc2)c1=O
CCn1cc(C#N)c(=O)n(CC(=O)N(CCC#N)c2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] CCn1cc(C#N)c(=O)n(CC(=O)N(CCC#N)[*:1])c1=O
CCn1cc(C#N)c(=O)n(CC(=O)N(CCC#N)c2ccc(F)cc2)c1=O N#CCC[*:1] CCn1cc(C#N)c(=O)n(CC(=O)N(c2ccc(F)cc2)[*:1])c1=O
CC(C)c1ccccc1NC(=O)N1CCO[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] CC(C)c1ccccc1NC(=O)N1CCO[C@@H](C1)[*:1]
CC(C)c1ccccc1NC(=O)N1CCO[C@@H](C(F)(F)F)C1 CC(C)[*:1] O=C(Nc1ccccc1[*:1])N1CCO[C@H](C1)C(F)(F)F
CC(C)N1CC[C@@H](NC(=O)N[C@H](c2ccccc2F)C2CCCC2)C1=O C1CCC(C1)[*:1] CC(C)N1CC[C@@H](NC(=O)N[C@H](c2ccccc2F)[*:1])C1=O
CC(C)N1CC[C@@H](NC(=O)N[C@H](c2ccccc2F)C2CCCC2)C1=O Fc1ccccc1[*:1] CC(C)N1CC[C@@H](NC(=O)N[C@H](C2CCCC2)[*:1])C1=O
CC(C)N1CC[C@@H](NC(=O)N[C@H](c2ccccc2F)C2CCCC2)C1=O CC(C)[*:1] O=C(N[C@H](c1ccccc1F)C1CCCC1)N[C@@H]1CCN(C1=O)[*:1]
C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H](C)O1 c1nnnn1[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)C[*:1]
CCOC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1 O=C(N[*:1])C1CC1 CCOC(=O)N1CCc2c(C1)sc(c2-c1nc2ccccc2s1)[*:1]
CCOC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)C1CC1)c2[*:1]
CCOC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1 C1CC1[*:1] CCOC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2-c1nc2ccccc2s1
CC(C)(C)n1cc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 CC(C)(C)[*:1] c1nn(cc1CN1CCC[C@H](C1)C[NH+]1CCCCCC1)[*:1]
C[C@H](NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](C(=O)N[C@@H](C)[*:1])N1C(=O)[C@H]2CCCC[C@@H]2C1=O
CCCn1nnnc1CS(=O)(=O)Cc1nc(-c2ccccc2)oc1C CCC[*:1] Cc1oc(nc1CS(=O)(=O)Cc1nnnn1[*:1])-c1ccccc1
CCCn1nnnc1CS(=O)(=O)Cc1nc(-c2ccccc2)oc1C CCCn1nnnc1[*:1] Cc1oc(nc1CS(=O)(=O)C[*:1])-c1ccccc1
CCCn1nnnc1CS(=O)(=O)Cc1nc(-c2ccccc2)oc1C c1ccc(cc1)[*:1] CCCn1nnnc1CS(=O)(=O)Cc1nc(oc1C)[*:1]
COc1ccccc1/C=C/C(=O)NNC(=O)c1cccnc1 c1cncc(c1)[*:1] COc1ccccc1/C=C/C(=O)NNC(=O)[*:1]
Cc1ccc(Cn2cccc(NC(=O)N3CCCC[C@@H]3CO)c2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1cccn(c1=O)[*:1])N1CCCC[C@@H]1CO
Cc1ccc(Cn2cccc(NC(=O)N3CCCC[C@@H]3CO)c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccn(C[*:1])c1=O)N1CCCC[C@@H]1CO
COCc1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)ccc1F COC[*:1] O=C(c1ccc(F)c(c1)[*:1])N1CCCCC[C@@H]1c1ccncc1
COCc1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)ccc1F c1cc(ccn1)[*:1] COCc1cc(ccc1F)C(=O)N1CCCCC[C@H]1[*:1]
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 c1ccc(cc1)CC[*:1] O=C(C[*:1])NNC(=O)[C@@H]1CCC[C@@H](C1)C(F)(F)F
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 c1ccc(cc1)[*:1] O=C(CCC[*:1])NNC(=O)[C@@H]1CCC[C@@H](C1)C(F)(F)F
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 c1ccc(cc1)C[*:1] O=C(CC[*:1])NNC(=O)[C@@H]1CCC[C@@H](C1)C(F)(F)F
O=C(CCCc1ccccc1)NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(CCCc1ccccc1)NNC(=O)[C@@H]1CCC[C@H](C1)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 CCC[*:1] C[C@H](NC(=O)NCc1cccc(c1)NC(=O)[*:1])c1ccc(C#N)cc1
CCCC(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)[*:1] CCCC(=O)Nc1cccc(c1)CNC(=O)N[C@@H](C)[*:1]
CCCC(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 CCCC(=O)N[*:1] C[C@H](NC(=O)NCc1cccc(c1)[*:1])c1ccc(C#N)cc1
O=c1[nH]c(N(Cc2ccccc2)Cc2ccco2)nc2c1cnn2-c1ccccc1 c1coc(c1)[*:1] O=c1[nH]c(nc2c1cnn2-c1ccccc1)N(Cc1ccccc1)C[*:1]
O=c1[nH]c(N(Cc2ccccc2)Cc2ccco2)nc2c1cnn2-c1ccccc1 c1ccc(cc1)C[*:1] O=c1[nH]c(nc2c1cnn2-c1ccccc1)N(Cc1ccco1)[*:1]
O=c1[nH]c(N(Cc2ccccc2)Cc2ccco2)nc2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]c(nc2c1cnn2[*:1])N(Cc1ccccc1)Cc1ccco1
O=c1[nH]c(N(Cc2ccccc2)Cc2ccco2)nc2c1cnn2-c1ccccc1 c1coc(c1)C[*:1] O=c1[nH]c(nc2c1cnn2-c1ccccc1)N(Cc1ccccc1)[*:1]
O=c1[nH]c(N(Cc2ccccc2)Cc2ccco2)nc2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]c(nc2c1cnn2-c1ccccc1)N(Cc1ccco1)C[*:1]
N#CCN(Cc1cnc(C2CCC2)s1)C1CCCC1 C1CCC(C1)[*:1] N#CCN(Cc1cnc(s1)C1CCC1)[*:1]
N#CCN(Cc1cnc(C2CCC2)s1)C1CCCC1 C1CC(C1)[*:1] N#CCN(Cc1cnc(s1)[*:1])C1CCCC1
N#CCN(Cc1cnc(C2CCC2)s1)C1CCCC1 N#CC[*:1] c1nc(sc1CN(C1CCCC1)[*:1])C1CCC1
Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)CCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)C[*:1] Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)CC[*:1]
Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)CCCc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)CCC[*:1]
COc1ccc(-c2noc([C@@H]3CCN(Cc4ccccc4Cl)C3)n2)cc1 COc1ccc(cc1)[*:1] Clc1ccccc1CN1CC[C@H](C1)c1nc(no1)[*:1]
COc1ccc(-c2noc([C@@H]3CCN(Cc4ccccc4Cl)C3)n2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-c1noc(n1)[C@@H]1CCN(C1)C[*:1]
COc1ccc(-c2noc([C@@H]3CCN(Cc4ccccc4Cl)C3)n2)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)-c1noc(n1)[C@@H]1CCN(C1)[*:1]
CN(C)c1ccc(C(=O)NCc2nc3ccccc3s2)cc1F CN(C)[*:1] O=C(NCc1nc2ccccc2s1)c1ccc(c(F)c1)[*:1]
COc1cccc(C(=O)NCCC(=O)N2CCCC2)c1F O=C(N1CCCC1)[*:1] COc1cccc(C(=O)NCC[*:1])c1F
CNC(=O)[C@@H](NC(=O)CS[C@H](C)[C@@H](C)O)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@@H](NC(=O)CS[C@H](C)[C@@H](C)O)[*:1]
CNC(=O)[C@@H](NC(=O)CS[C@H](C)[C@@H](C)O)c1ccccc1 C[C@@H](O)[*:1] CNC(=O)[C@@H](NC(=O)CS[C@H](C)[*:1])c1ccccc1
CNC(=O)[C@@H](NC(=O)CS[C@H](C)[C@@H](C)O)c1ccccc1 CNC(=O)[*:1] C[C@@H](O)[C@@H](C)SCC(=O)N[C@@H](c1ccccc1)[*:1]
CC1(C)CCN(C(=O)C2(C(N)=S)CCCC2)C1 NC(=S)[*:1] CC1(C)CCN(C1)C(=O)C1(CCCC1)[*:1]
CCCn1c(SCC(=O)c2cc(C)c(C)c(C)c2C)n[nH]c1=O CCC[*:1] Cc1cc(C(=O)CSc2n[nH]c(=O)n2[*:1])c(C)c(C)c1C
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1=Cc2cc(F)ccc2OC1 c1ccc2c(c[nH]c2c1)[*:1] O=C(C[*:1])NNC(=O)C1=Cc2cc(F)ccc2OC1
N#Cc1ccn2cc(C(=O)[O-])nc2c1 O=C([O-])[*:1] N#Cc1ccn2cc(nc2c1)[*:1]
CC1(C)CCC[C@@H]1NC(=O)CC1(C(=O)[O-])CCCCC1 O=C([O-])[*:1] CC1(C)CCC[C@@H]1NC(=O)CC1(CCCCC1)[*:1]
C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1[*:1]
CCN(CC(=O)NC(C)(C)C)C(=O)c1cnc2c(C)cccn2c1=O CC(C)(C)NC(=O)C[*:1] CCN(C(=O)c1cnc2c(C)cccn2c1=O)[*:1]
CCN(CC(=O)NC(C)(C)C)C(=O)c1cnc2c(C)cccn2c1=O CC(C)(C)NC(=O)[*:1] CCN(C[*:1])C(=O)c1cnc2c(C)cccn2c1=O
CCN(CC(=O)NC(C)(C)C)C(=O)c1cnc2c(C)cccn2c1=O CC(C)(C)[*:1] CCN(CC(=O)N[*:1])C(=O)c1cnc2c(C)cccn2c1=O
O=C(NCCCO)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 OCCC[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
O=C(NCCCO)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 OCC[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
O=C(NCCCO)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(NCCCO)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCCCO)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 O=C(NCCCO)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCC(CC1)[*:1]
O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 C1CC1[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=C(N[*:1])C1CC1 O=C(Nc1cccc(c1)[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1cccc(c1)NC(=O)C1CC1)c1cccc(c1)[*:1]
COc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1O COc1ccc(cc1O)[*:1] O=C1C[C@H](c2cnn(-c3nc4ccccc4s3)c2N1)[*:1]
COc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1O c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1O)[C@@H]1CC(=O)Nc2c1cnn2[*:1]
CCOc1ccc([C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)cc1 CCOc1ccc(cc1)[*:1] CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C)[*:1]
CCOc1ccc([C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)cc1 CCO[*:1] CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CCCCc1nnc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n1N CCC[*:1] C[C@@H](Sc1nnc(C[*:1])n1N)C(=O)Nc1cccc(C#N)c1
CCCCc1nnc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n1N N#Cc1cccc(c1)[*:1] CCCCc1nnc(S[C@H](C)C(=O)N[*:1])n1N
CCCCc1nnc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n1N CCCC[*:1] C[C@@H](Sc1nnc(n1N)[*:1])C(=O)Nc1cccc(C#N)c1
O=C([O-])C[C@H]1CN(CCSc2ccccc2F)CCO1 O=C([O-])C[*:1] Fc1ccccc1SCCN1CCO[C@H](C1)[*:1]
O=C([O-])C[C@H]1CN(CCSc2ccccc2F)CCO1 O=C([O-])[*:1] Fc1ccccc1SCCN1CCO[C@H](C1)C[*:1]
CCc1nn2c(nnc3c(CC(=O)OC)nn(-c4ccccc4)c32)c1-c1ccccc1 COC(=O)C[*:1] CCc1nn2c(nnc3c(nn(-c4ccccc4)c32)[*:1])c1-c1ccccc1
CCc1nn2c(nnc3c(CC(=O)OC)nn(-c4ccccc4)c32)c1-c1ccccc1 COC(=O)[*:1] CCc1nn2c(nnc3c(C[*:1])nn(-c4ccccc4)c32)c1-c1ccccc1
CCc1nn2c(nnc3c(CC(=O)OC)nn(-c4ccccc4)c32)c1-c1ccccc1 c1ccc(cc1)[*:1] CCc1nn2c(nnc3c(CC(=O)OC)nn(-c4ccccc4)c32)c1[*:1]
CCc1nn2c(nnc3c(CC(=O)OC)nn(-c4ccccc4)c32)c1-c1ccccc1 c1ccc(cc1)[*:1] CCc1nn2c(nnc3c(CC(=O)OC)nn(c32)[*:1])c1-c1ccccc1
COc1cc(F)cc(CNC(=O)N2CCC(OC3CCCCC3)CC2)c1 C1CCC(CC1)O[*:1] COc1cc(F)cc(c1)CNC(=O)N1CCC(CC1)[*:1]
COc1cc(F)cc(CNC(=O)N2CCC(OC3CCCCC3)CC2)c1 C1CCC(CC1)[*:1] COc1cc(F)cc(c1)CNC(=O)N1CCC(CC1)O[*:1]
COc1ccc(Cl)cc1C/C([O-])=N/S(=O)(=O)c1ccc(C(N)=O)cc1 NC(=O)[*:1] COc1ccc(Cl)cc1C/C([O-])=N/S(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 O=S(=O)(N1CCCCC1)[*:1] COC(=O)c1ccc(cc1)C(=O)NCc1ccc(s1)[*:1]
COC(=O)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 COC(=O)[*:1] O=C(NCc1ccc(s1)S(=O)(=O)N1CCCCC1)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1O)/C(=C/c1ccco1)NC(=O)c1ccccc1 Oc1ccccc1[*:1] O=C(N[*:1])/C(=C/c1ccco1)NC(=O)c1ccccc1
O=C(Nc1ccccc1O)/C(=C/c1ccco1)NC(=O)c1ccccc1 c1coc(c1)[*:1] O=C(Nc1ccccc1O)C(=C[*:1])NC(=O)c1ccccc1
O=C(Nc1ccccc1O)/C(=C/c1ccco1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1O)/C(=C/c1ccco1)NC(=O)[*:1]
CC(C)NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1 CC(C)NC(=O)N[*:1] c1csc(c1)-c1nc(no1)-c1ccc(cc1)[*:1]
CC(C)NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)-c1noc(n1)-c1cccs1)N[*:1]
CC(C)NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1 c1csc(c1)[*:1] CC(C)NC(=O)Nc1ccc(cc1)-c1noc(n1)[*:1]
O=C(C[C@H]1CCCCO1)N1CCCc2cccc(O)c21 C1CC[C@@H](OC1)[*:1] O=C(C[*:1])N1CCCc2cccc(O)c21
Cc1ccc(OC2CC[NH+](Cc3c(C)nn(CCO)c3C)CC2)cc1 OCC[*:1] Cc1ccc(cc1)OC1CC[NH+](CC1)Cc1c(C)nn(c1C)[*:1]
Cc1ccc(OC2CC[NH+](Cc3c(C)nn(CCO)c3C)CC2)cc1 Cc1ccc(cc1)O[*:1] Cc1nn(CCO)c(C)c1C[NH+]1CCC(CC1)[*:1]
Cc1ccc(OC2CC[NH+](Cc3c(C)nn(CCO)c3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(CCO)c(C)c1C[NH+]1CCC(CC1)O[*:1]
Cc1ccc(-n2nnnc2N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nnnn1[*:1]
COc1ncnc2c1nc(N)n2CC[C@H]1CCC[C@@H](C)C1 C[C@@H]1CCC[C@@H](C1)[*:1] COc1ncnc2c1nc(N)n2CC[*:1]
O=C1CCC(=O)N1CC[NH2+][C@@H]1CCCOc2ccc(F)cc21 O=C1CCC(=O)N1[*:1] Fc1ccc2OCCC[C@@H]([NH2+]CC[*:1])c2c1
C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1ncc(-c2ccc(Cl)cc2)nc1=O Clc1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1ncc(nc1=O)[*:1]
C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1ncc(-c2ccc(Cl)cc2)nc1=O Clc1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])n1ncc(nc1=O)-c1ccc(Cl)cc1
CCN(C(=O)c1nc2c(Cl)cccn2c1C)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1nc2c(Cl)cccn2c1C)[*:1]
NC(=O)c1c(NC(=O)Cc2cccc(F)c2)sc2c1CCCCC2 Fc1cccc(c1)[*:1] NC(=O)c1c(NC(=O)C[*:1])sc2CCCCCc21
NC(=O)c1c(NC(=O)Cc2cccc(F)c2)sc2c1CCCCC2 NC(=O)[*:1] O=C(Cc1cccc(F)c1)Nc1sc2CCCCCc2c1[*:1]
NC(=O)c1c(NC(=O)Cc2cccc(F)c2)sc2c1CCCCC2 Fc1cccc(c1)C[*:1] NC(=O)c1c(NC(=O)[*:1])sc2CCCCCc21
CCN(C)C(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 CC(C)(C)[*:1] CCN(C)C(=O)c1cccc(c1)C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1]
CCN(C)C(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 CC(C)(C)c1ccc(cc1)[*:1] CCN(C)C(=O)c1cccc(c1)C(=O)Nc1nc(cs1)[*:1]
CCN(C)C(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 CCN(C)C(=O)[*:1] CC(C)(C)c1ccc(cc1)-c1csc(n1)NC(=O)c1cccc(c1)[*:1]
CC(C)[C@@H]1CC2=NC(=O)[C@H](C#N)C=C2CO1 CC(C)[*:1] N#C[C@@H]1C=C2CO[C@@H](CC2=NC1=O)[*:1]
CC(C)(CNC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccncc1 c1coc(c1)[*:1] CC(C)(CNC(=O)N(Cc1ccccc1)C[*:1])c1ccncc1
CC(C)(CNC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccncc1 c1coc(c1)C[*:1] CC(C)(CNC(=O)N(Cc1ccccc1)[*:1])c1ccncc1
CC(C)(CNC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NC[*:1])N(Cc1ccccc1)Cc1ccco1
CC(C)(CNC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)N(Cc1ccccc1)Cc1ccco1)[*:1]
CC(C)(CNC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccncc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)N(Cc1ccco1)C[*:1])c1ccncc1
CC(C)(CNC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccncc1 c1ccc(cc1)C[*:1] CC(C)(CNC(=O)N(Cc1ccco1)[*:1])c1ccncc1
CCn1cnnc1CNC(=O)NCCC[NH+]1CCc2ccccc2C1 CCn1cnnc1[*:1] O=C(NCCC[NH+]1CCc2ccccc2C1)NC[*:1]
CCn1cnnc1CNC(=O)NCCC[NH+]1CCc2ccccc2C1 CCn1cnnc1C[*:1] O=C(NCCC[NH+]1CCc2ccccc2C1)N[*:1]
COC[C@H](C)NC(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 CC(C)NC(=O)[*:1] COC[C@H](C)NC(=O)Nc1ccc(c(C)c1)[*:1]
COC[C@H](C)NC(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 COC[C@H](C)[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)N[*:1]
COC[C@H](C)NC(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 CC(C)[*:1] COC[C@H](C)NC(=O)Nc1ccc(C(=O)N[*:1])c(C)c1
COC[C@H](C)NC(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 COC[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)N[C@@H](C)[*:1]
O=C(Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(Cn1cccc(-c2nc(no2)[*:1])c1=O)Nc1ccc(Cl)c(c1)C(F)(F)F
O=C(Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cn1cccc(-c2nc(no2)-c2ccccc2)c1=O)Nc1ccc(Cl)c(c1)[*:1]
O=C(Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 c1ccc(cc1)-c1noc(n1)[*:1] O=C(Cn1cccc(c1=O)[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
O=C(Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)c1cc(ccc1Cl)[*:1] O=C(Cn1cccc(-c2nc(no2)-c2ccccc2)c1=O)N[*:1]
CC(C)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F CC(C)C[*:1] CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)[*:1]
CC(C)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CC(C)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1[*:1]
CC(C)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F CC(C)[*:1] CN(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
CC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)N2CCCc3ccccc32)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)NCCC(=O)N2CCCc3ccccc32)c(C)c1[*:1]
C[C@H](NCCc1nccn1Cc1ccccc1)c1cccs1 c1ccc(cc1)C[*:1] C[C@H](NCCc1nccn1[*:1])c1cccs1
C[C@H](NCCc1nccn1Cc1ccccc1)c1cccs1 C[C@H](c1cccs1)[*:1] c1ccc(cc1)Cn1ccnc1CCN[*:1]
C[C@H](NCCc1nccn1Cc1ccccc1)c1cccs1 c1csc(c1)[*:1] C[C@H](NCCc1nccn1Cc1ccccc1)[*:1]
C[C@H](NCCc1nccn1Cc1ccccc1)c1cccs1 c1ccc(cc1)[*:1] C[C@H](NCCc1nccn1C[*:1])c1cccs1
C[NH+](CCCNC(=O)NCc1cn2cc(Cl)ccc2n1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCCNC(=O)NCc1cn2cc(Cl)ccc2n1)[*:1]
C=CCc1ccccc1OCc1cc(C=O)ccc1OC C=CC[*:1] COc1ccc(C=O)cc1COc1ccccc1[*:1]
Cc1cccc(-n2c(SCC(=O)N[C@H]3CCc4ccccc43)nc3ccsc3c2=O)c1 Cc1cccc(c1)[*:1] O=C(CSc1nc2ccsc2c(=O)n1[*:1])N[C@H]1CCc2ccccc21
CCC[C@@H](C)N(C)c1cc2c(cc1Cl)C(=O)C(=O)N2 CCC[C@@H](C)[*:1] CN(c1cc2NC(=O)C(=O)c2cc1Cl)[*:1]
CCC[C@@H](C)N(C)c1cc2c(cc1Cl)C(=O)C(=O)N2 CCC[*:1] C[C@@H](N(C)c1cc2NC(=O)C(=O)c2cc1Cl)[*:1]
CC(=O)c1c(OC(=O)COc2ccc([N+](=O)[O-])cc2)ccc2c(C)cc(=O)oc12 CC(=O)[*:1] Cc1cc(=O)oc2c(c(ccc12)OC(=O)COc1ccc(cc1)[N+](=O)[O-])[*:1]
CC(=O)c1c(OC(=O)COc2ccc([N+](=O)[O-])cc2)ccc2c(C)cc(=O)oc12 O=[N+]([O-])[*:1] CC(=O)c1c(ccc2c(C)cc(=O)oc12)OC(=O)COc1ccc(cc1)[*:1]
CC(=O)c1c(OC(=O)COc2ccc([N+](=O)[O-])cc2)ccc2c(C)cc(=O)oc12 O=[N+]([O-])c1ccc(cc1)[*:1] CC(=O)c1c(ccc2c(C)cc(=O)oc12)OC(=O)CO[*:1]
O=C([O-])CCCC[C@H](O)c1ccc(F)c(Br)c1 O=C([O-])CC[*:1] O[C@@H](CC[*:1])c1ccc(F)c(Br)c1
O=C([O-])CCCC[C@H](O)c1ccc(F)c(Br)c1 O=C([O-])C[*:1] O[C@@H](CCC[*:1])c1ccc(F)c(Br)c1
O=C([O-])CCCC[C@H](O)c1ccc(F)c(Br)c1 O=C([O-])[*:1] O[C@@H](CCCC[*:1])c1ccc(F)c(Br)c1
CCCNC(=O)CCNC(=O)OCC CCC[*:1] CCOC(=O)NCCC(=O)N[*:1]
O=C(C[C@H](O)c1ccccc1)NCC(=O)N1CCc2ccccc21 O[C@H](c1ccccc1)[*:1] O=C(C[*:1])NCC(=O)N1CCc2ccccc21
O=C(C[C@H](O)c1ccccc1)NCC(=O)N1CCc2ccccc21 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])NCC(=O)N1CCc2ccccc21
CC[C@@H](C)N(C)C(=O)N[C@H](C)CCc1cccn1C Cn1cccc1[*:1] CC[C@@H](C)N(C)C(=O)N[C@H](C)CC[*:1]
CC[C@@H](C)N(C)C(=O)N[C@H](C)CCc1cccn1C CC[C@@H](C)[*:1] C[C@H](CCc1cccn1C)NC(=O)N(C)[*:1]
O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)N1CCC[C@@H]1[*:1]
O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)N1CCC[C@H]1c1cccs1 C1CN(CCO1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])N1CCC[C@H]1c1cccs1
O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)N1CCC[C@H]1c1cccs1 c1ccc(cc1)[*:1] O=C(CSc1nnc(N2CCOCC2)n1[*:1])N1CCC[C@H]1c1cccs1
COc1ccc(F)c(NC(=O)NCCOCC2CC2)c1 C1CC1[*:1] COc1ccc(F)c(c1)NC(=O)NCCOC[*:1]
COc1ccc(F)c(NC(=O)NCCOCC2CC2)c1 C1CC1CO[*:1] COc1ccc(F)c(c1)NC(=O)NCC[*:1]
COc1ccc(F)c(NC(=O)NCCOCC2CC2)c1 C1CC1COC[*:1] COc1ccc(F)c(c1)NC(=O)NC[*:1]
COc1ccc(F)c(NC(=O)NCCOCC2CC2)c1 C1CC1C[*:1] COc1ccc(F)c(c1)NC(=O)NCCO[*:1]
C[C@@H]1CC=C(c2nc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)n[nH]2)S1 c1ccc(cc1)[*:1] C[C@@H]1CC=C(S1)c1nc(n[nH]1)NC(=O)c1nn(c2CCCc12)[*:1]
Cc1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc(S(N)(=O)=O)c1C O=C(N[*:1])C1CC1 Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)NCc1ccc(cc1)[*:1]
Cc1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)NCc1ccc(cc1)NC(=O)C1CC1
Cc1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc(S(N)(=O)=O)c1C C1CC1[*:1] Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)NCc1ccc(cc1)NC(=O)[*:1]
COc1cc(C)ccc1NC(=O)CCOC(C)C CC(C)OCC[*:1] COc1cc(C)ccc1NC(=O)[*:1]
COc1cc(C)ccc1NC(=O)CCOC(C)C CC(C)OC[*:1] COc1cc(C)ccc1NC(=O)C[*:1]
COc1cc(C)ccc1NC(=O)CCOC(C)C CC(C)O[*:1] COc1cc(C)ccc1NC(=O)CC[*:1]
COc1cc(C)ccc1NC(=O)CCOC(C)C CC(C)[*:1] COc1cc(C)ccc1NC(=O)CCO[*:1]
O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc(F)c1 c1ccc(C[*:1])nc1 O=C(C[C@H]1C(=O)N(c2nc3ccccc3n21)[*:1])Nc1cccc(F)c1
O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)N[*:1]
O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc(F)c1 c1ccc(nc1)[*:1] O=C(C[C@H]1C(=O)N(C[*:1])c2nc3ccccc3n21)Nc1cccc(F)c1
O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc(F)c1 O=C(Nc1cccc(F)c1)[*:1] O=C1[C@H](C[*:1])n2c(nc3ccccc32)N1Cc1ccccn1
C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)C(=O)Nc1c2CSCc2nn1-c1ccc(F)cc1
C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1c2CSCc2nn1-c1ccc(F)cc1
C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 C[C@H](CCc1ccccc1)[*:1] O=C(Nc1c2CSCc2nn1-c1ccc(F)cc1)C(=O)N[*:1]
C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 Fc1ccc(cc1)[*:1] C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1c2CSCc2nn1[*:1]
C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)C(=O)Nc1c2CSCc2nn1-c1ccc(F)cc1)[*:1]
O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](CO)c1ccccc1F Fc1ccccc1[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](CO)[*:1]
C[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@H](O)c2ccccc2Cl)C1=O Clc1ccccc1[*:1] C[C@@]1(NC(=O)N(C[C@H](O)[*:1])C1=O)c1ccc(Cl)cc1
C[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@H](O)c2ccccc2Cl)C1=O Clc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(C[C@H](O)c2ccccc2Cl)C1=O)[*:1]
N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCCc4ccccc43)c2)c1 N#Cc1cccc(c1)[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])N[C@@H]1CCCc2ccccc21
O=C(COc1ccc2ccccc2c1)Nc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=C(COc1ccc2ccccc2c1)Nc1ccc(cc1)[*:1]
O=C(COc1ccc2ccccc2c1)Nc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(COc1ccc2ccccc2c1)Nc1ccc(cc1)C[*:1]
O=C(Cc1csc(-c2ccoc2)n1)N1CCSC2(CCCCC2)C1 c1cc(co1)[*:1] O=C(Cc1csc(n1)[*:1])N1CCSC2(CCCCC2)C1
Cc1cccc(-n2ncc3c([O-])nc(-n4nc(C)cc4NC(=O)COc4ccccc4F)nc32)c1 Fc1ccccc1O[*:1] Cc1cccc(c1)-n1ncc2c([O-])nc(nc21)-n1nc(C)cc1NC(=O)C[*:1]
Cc1cccc(-n2ncc3c([O-])nc(-n4nc(C)cc4NC(=O)COc4ccccc4F)nc32)c1 Fc1ccccc1[*:1] Cc1cccc(c1)-n1ncc2c([O-])nc(nc21)-n1nc(C)cc1NC(=O)CO[*:1]
Cc1cccc(-n2ncc3c([O-])nc(-n4nc(C)cc4NC(=O)COc4ccccc4F)nc32)c1 Cc1cccc(c1)[*:1] Cc1cc(NC(=O)COc2ccccc2F)n(n1)-c1nc([O-])c2cnn(c2n1)[*:1]
Cc1cccc(-n2ncc3c([O-])nc(-n4nc(C)cc4NC(=O)COc4ccccc4F)nc32)c1 Fc1ccccc1OC[*:1] Cc1cccc(c1)-n1ncc2c([O-])nc(nc21)-n1nc(C)cc1NC(=O)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccccc1Cl)c1nc(C#N)c(C#N)nc12 Clc1ccccc1[*:1] CC1(C)[C@@H]2CC[C@@]1(C(=O)N[*:1])c1nc(C#N)c(C#N)nc12
CCOC(=O)c1ccc(NC(=O)Nc2ccccc2CC)cc1 CCOC(=O)[*:1] CCc1ccccc1NC(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](OC(=O)c1cn(CC(N)=O)nn1)c1ccc(F)cc1 NC(=O)[*:1] CC[C@@H](OC(=O)c1cn(C[*:1])nn1)c1ccc(F)cc1
CC[C@@H](OC(=O)c1cn(CC(N)=O)nn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@@H](OC(=O)c1cn(CC(N)=O)nn1)[*:1]
CC[C@@H](OC(=O)c1cn(CC(N)=O)nn1)c1ccc(F)cc1 NC(=O)C[*:1] CC[C@@H](OC(=O)c1cn(nn1)[*:1])c1ccc(F)cc1
CC[C@@H](C)N(CC[NH3+])Cc1cccs1 CC[C@@H](C)[*:1] [NH3+]CCN(Cc1cccs1)[*:1]
CC[C@@H](C)N(CC[NH3+])Cc1cccs1 [NH3+]CC[*:1] CC[C@@H](C)N(Cc1cccs1)[*:1]
Cc1cc([O-])c(C(c2ccccc2F)c2c([O-])cc(C)[nH]c2=O)c(=O)[nH]1 Fc1ccccc1[*:1] Cc1cc([O-])c(c(=O)[nH]1)C(c1c([O-])cc(C)[nH]c1=O)[*:1]
CCOC(=O)[C@H]1CCC([O-])=C(C(=O)C(F)(F)F)C1 O=C(C(F)(F)F)[*:1] CCOC(=O)[C@H]1CCC([O-])=C(C1)[*:1]
CCOC(=O)[C@H]1CCC([O-])=C(C(=O)C(F)(F)F)C1 FC(F)(F)[*:1] CCOC(=O)[C@H]1CCC([O-])=C(C1)C(=O)[*:1]
CCOC(=O)[C@H]1CCC([O-])=C(C(=O)C(F)(F)F)C1 CCOC(=O)[*:1] O=C(C1C[C@H](CCC=1[O-])[*:1])C(F)(F)F
O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CNc1ccc(cc1)S(=O)(=O)N1CCCCCC1)N[*:1]
C=C(C)C[C@H](F)C(=O)c1ccccc1 C=C(C)C[*:1] O=C(c1ccccc1)[C@@H](F)[*:1]
C=C(C)C[C@H](F)C(=O)c1ccccc1 C=C(C)[*:1] O=C(c1ccccc1)[C@@H](F)C[*:1]
CCC[NH2+][C@H](C1CCCC1)[C@H]1CCOC2(CCSCC2)C1 C1CCC(C1)[*:1] CCC[NH2+][C@H]([C@H]1CCOC2(CCSCC2)C1)[*:1]
CCC[NH2+][C@H](C1CCCC1)[C@H]1CCOC2(CCSCC2)C1 CCC[*:1] C1CCC(C1)[C@@H]([NH2+][*:1])[C@H]1CCOC2(CCSCC2)C1
CCCN1C(=O)CCc2cc(NC(=O)NC[C@H](O)c3cnn(C)c3)ccc21 Cn1cc(cn1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)NC[C@H](O)[*:1]
CCCN1C(=O)CCc2cc(NC(=O)NC[C@H](O)c3cnn(C)c3)ccc21 CCC[*:1] Cn1cc(cn1)[C@@H](O)CNC(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
COc1ccccc1[C@H](C)NC(=O)[C@H](C)[S@@](=O)Cc1ccccc1C Cc1ccccc1[*:1] COc1ccccc1[C@H](C)NC(=O)[C@H](C)[S@@](=O)C[*:1]
COc1ccccc1[C@H](C)NC(=O)[C@H](C)[S@@](=O)Cc1ccccc1C COc1ccccc1[*:1] Cc1ccccc1C[S@](=O)[C@@H](C)C(=O)N[C@@H](C)[*:1]
COc1ccccc1[C@H](C)NC(=O)[C@H](C)[S@@](=O)Cc1ccccc1C Cc1ccccc1C[*:1] COc1ccccc1[C@H](C)NC(=O)[C@H](C)[S@@](=O)[*:1]
CC(=O)Nc1ccccc1OCCOc1ccccc1C CC(=O)N[*:1] Cc1ccccc1OCCOc1ccccc1[*:1]
CC(=O)Nc1ccccc1OCCOc1ccccc1C Cc1ccccc1[*:1] CC(=O)Nc1ccccc1OCCO[*:1]
Cc1nc2cc(NC(=O)CSCc3ccccc3)ccc2s1 c1ccc(cc1)C[*:1] Cc1nc2cc(ccc2s1)NC(=O)CS[*:1]
Cc1nc2cc(NC(=O)CSCc3ccccc3)ccc2s1 c1ccc(cc1)[*:1] Cc1nc2cc(ccc2s1)NC(=O)CSC[*:1]
COc1ccc2[nH]c(C(=O)N(C)C)cc2c1 CN(C)C(=O)[*:1] COc1ccc2[nH]c(cc2c1)[*:1]
O=C(C1CC1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 Fc1ccc(cc1)C[*:1] O=C(C1CC1)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
O=C(C1CC1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 Fc1ccc(cc1)[*:1] O=C(C1CC1)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
O=C(C1CC1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 C1CC1[*:1] O=C1N(CCC[C@@]12CCN(C2)C(=O)[*:1])Cc1ccc(F)cc1
CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C1 FC(F)[*:1] CCNC(=O)C1CN(C1)C(=O)C(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)C1 CCNC(=O)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)C(=O)N1CC(C1)[*:1]
C#CCNC(=O)C[NH+](C)C1CCC(CO)CC1 C#CC[*:1] C[NH+](CC(=O)N[*:1])C1CCC(CO)CC1
CC(=O)c1ccc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])c1 C1CN(CCO1)[*:1] CC(=O)c1ccc(NC[C@@H](c2ccc(F)cc2)[*:1])c(c1)[N+](=O)[O-]
CC(=O)c1ccc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(c1)[*:1]
CC(=O)c1ccc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])c1 CC(=O)[*:1] O=[N+]([O-])c1cc(ccc1NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[*:1]
CC(=O)c1ccc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])c1 Fc1ccc(cc1)[*:1] CC(=O)c1ccc(NC[C@@H](N2CCOCC2)[*:1])c(c1)[N+](=O)[O-]
COc1ccc([C@H]2CCCCCN2C(=O)c2cc(OC)ccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)C(=O)N1CCCCC[C@@H]1[*:1]
CCc1nnc(N2CC[C@@]3(O)CCN(C(C)=O)C[C@H]3C2)o1 CCc1nnc(o1)[*:1] CC(=O)N1CC[C@]2(O)CCN(C[C@@H]2C1)[*:1]
C[C@H](CC(=O)Nc1ccc2nc(C3CC3)oc2c1)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H](CC(=O)Nc1ccc2nc(oc2c1)C1CC1)NC(=O)[*:1]
C[C@H](CC(=O)Nc1ccc2nc(C3CC3)oc2c1)NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 C[C@H](CC(=O)Nc1ccc2nc(oc2c1)C1CC1)[*:1]
C[C@H](CC(=O)Nc1ccc2nc(C3CC3)oc2c1)NC(=O)C1CCCC1 C1CC1[*:1] C[C@H](CC(=O)Nc1ccc2nc(oc2c1)[*:1])NC(=O)C1CCCC1
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@@H]2C[C@@H]2c2cccc(F)c2F)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=S(=O)(/N=C(\[O-])[C@@H]1C[C@@H]1c1cccc(F)c1F)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@@H]2C[C@@H]2c2cccc(F)c2F)c(C)c1 Fc1cccc(c1F)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)/N=C(\[O-])[C@@H]1C[C@H]1[*:1]
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)COC(=O)c1cc[nH]n1 c1cc(n[nH]1)[*:1] CN(CC12CC3CC(CC(C3)C1)C2)C(=O)COC(=O)[*:1]
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)COC(=O)c1cc[nH]n1 O=C(O[*:1])c1cc[nH]n1 CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[*:1]
COC(=O)c1ccc(F)cc1[C@H]1CCC[NH2+]1 COC(=O)[*:1] Fc1ccc(c(c1)[C@H]1CCC[NH2+]1)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)COc2ccccn2)C1 c1ccc(nc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CO[*:1]
O=C1CC[C@@H](C(=O)N2CCC[C@@H]2c2cc[nH]n2)N1 c1cc(n[nH]1)[*:1] O=C1CC[C@H](N1)C(=O)N1CCC[C@H]1[*:1]
O=C1CC[C@@H](C(=O)N2CCC[C@@H]2c2cc[nH]n2)N1 O=C1CC[C@@H](N1)[*:1] O=C(N1CCC[C@@H]1c1cc[nH]n1)[*:1]
N#Cc1ccc([C@@H](O)C(F)(F)F)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)[C@@H](O)[*:1]
Cc1c(C(=O)NCCC(C)C)oc2c1/C(=N/NC(N)=O)CCC2 CC(C)CC[*:1] Cc1c(oc2CCC/C(=N\NC(N)=O)c21)C(=O)N[*:1]
Cc1c(C(=O)NCCC(C)C)oc2c1/C(=N/NC(N)=O)CCC2 CC(C)[*:1] Cc1c(oc2CCC/C(=N\NC(N)=O)c21)C(=O)NCC[*:1]
Cc1c(C(=O)NCCC(C)C)oc2c1/C(=N/NC(N)=O)CCC2 CC(C)C[*:1] Cc1c(oc2CCC/C(=N\NC(N)=O)c21)C(=O)NC[*:1]
O=C(CS[C@H]1N=C2C=C(c3ccccc3)N=C2C(=O)N1Cc1ccccc1)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=C1C2=NC(=CC2=N[C@H](SC[*:1])N1Cc1ccccc1)c1ccccc1
O=C(CS[C@H]1N=C2C=C(c3ccccc3)N=C2C(=O)N1Cc1ccccc1)NC1CCCC1 c1ccc(cc1)C[*:1] O=C(CS[C@H]1N=C2C=C(N=C2C(=O)N1[*:1])c1ccccc1)NC1CCCC1
O=C(CS[C@H]1N=C2C=C(c3ccccc3)N=C2C(=O)N1Cc1ccccc1)NC1CCCC1 O=C(C[*:1])NC1CCCC1 O=C1C2=NC(=CC2=N[C@H](S[*:1])N1Cc1ccccc1)c1ccccc1
O=C(CS[C@H]1N=C2C=C(c3ccccc3)N=C2C(=O)N1Cc1ccccc1)NC1CCCC1 O=C(CS[*:1])NC1CCCC1 O=C1C2=NC(=CC2=N[C@@H](N1Cc1ccccc1)[*:1])c1ccccc1
O=C(CS[C@H]1N=C2C=C(c3ccccc3)N=C2C(=O)N1Cc1ccccc1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CS[C@H]1N=C2C=C(N=C2C(=O)N1Cc1ccccc1)c1ccccc1)N[*:1]
O=C(CS[C@H]1N=C2C=C(c3ccccc3)N=C2C(=O)N1Cc1ccccc1)NC1CCCC1 c1ccc(cc1)[*:1] O=C(CS[C@H]1N=C2C=C(N=C2C(=O)N1Cc1ccccc1)[*:1])NC1CCCC1
O=C(CS[C@H]1N=C2C=C(c3ccccc3)N=C2C(=O)N1Cc1ccccc1)NC1CCCC1 c1ccc(cc1)[*:1] O=C(CS[C@H]1N=C2C=C(N=C2C(=O)N1C[*:1])c1ccccc1)NC1CCCC1
CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 CC(C)O[*:1] C[C@H](CCc1ccc(cc1)[*:1])NC(=O)N[C@H]1CCS(=O)(=O)C1
CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 CC(C)[*:1] C[C@H](CCc1ccc(cc1)O[*:1])NC(=O)N[C@H]1CCS(=O)(=O)C1
CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 O=S1(=O)CC[C@@H](C1)[*:1] CC(C)Oc1ccc(cc1)CC[C@@H](C)NC(=O)N[*:1]
CC(C)(CNCc1cccnc1)c1ccccc1 c1cncc(c1)[*:1] CC(C)(CNC[*:1])c1ccccc1
CC(C)(CNCc1cccnc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNCc1cccnc1)[*:1]
O=C(c1cccc2cccnc12)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 c1cnc2c(cccc2c1)[*:1] O=C(N1CCC(CC1)[C@H]1Nc2ccccc2S(=O)(=O)N1)[*:1]
C[C@]1(c2cccnc2)NC(=O)N(CCOc2ccc(F)cc2Cl)C1=O Fc1ccc(c(Cl)c1)[*:1] C[C@@]1(NC(=O)N(CCO[*:1])C1=O)c1cccnc1
C[C@]1(c2cccnc2)NC(=O)N(CCOc2ccc(F)cc2Cl)C1=O c1cncc(c1)[*:1] C[C@@]1(NC(=O)N(CCOc2ccc(F)cc2Cl)C1=O)[*:1]
CC[C@H](C)NC(=O)c1ccccc1SCc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1ccccc1SC[*:1]
CC[C@H](C)NC(=O)c1ccccc1SCc1ccccc1 c1ccc(cc1)C[*:1] CC[C@H](C)NC(=O)c1ccccc1S[*:1]
CC[C@H](C)NC(=O)c1ccccc1SCc1ccccc1 CC[C@H](C)[*:1] O=C(N[*:1])c1ccccc1SCc1ccccc1
CC[C@H](C)NC(=O)c1ccccc1SCc1ccccc1 CC[C@H](C)NC(=O)[*:1] c1ccc(cc1)CSc1ccccc1[*:1]
C[C@H]1CN(c2ccccc2C[NH2+]CC[S@@](=O)C(C)(C)C)C[C@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1C[NH2+]CC[S@@](=O)[*:1]
C[C@H]1CN(c2ccccc2C[NH2+]CC[S@@](=O)C(C)(C)C)C[C@H](C)O1 C[C@H]1CN(C[C@H](C)O1)[*:1] CC(C)(C)[S@](=O)CC[NH2+]Cc1ccccc1[*:1]
C[C@H]1CN(c2ccccc2C[NH2+]CC[S@@](=O)C(C)(C)C)C[C@H](C)O1 CC(C)(C)[S@](=O)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1C[NH2+]CC[*:1]
CCn1c(SCC(=O)N(C)Cc2ccccc2Br)nc2sc(C)c(C)c2c1=O Brc1ccccc1[*:1] CCn1c(nc2sc(C)c(C)c2c1=O)SCC(=O)N(C)C[*:1]
CCn1c(SCC(=O)N(C)Cc2ccccc2Br)nc2sc(C)c(C)c2c1=O Brc1ccccc1C[*:1] CCn1c(nc2sc(C)c(C)c2c1=O)SCC(=O)N(C)[*:1]
CN1CCC[C@](O)(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CN1CCC[C@](O)(C[NH2+]Cc2c[nH]nc2[*:1])C1=O
Cc1ccccc1Nc1nc(CSc2nnc(C)n2C2CC2)cs1 Cc1ccccc1N[*:1] Cc1nnc(SCc2csc(n2)[*:1])n1C1CC1
Cc1ccccc1Nc1nc(CSc2nnc(C)n2C2CC2)cs1 C1CC1[*:1] Cc1ccccc1Nc1nc(cs1)CSc1nnc(C)n1[*:1]
Cc1ccccc1Nc1nc(CSc2nnc(C)n2C2CC2)cs1 Cc1ccccc1[*:1] Cc1nnc(SCc2csc(n2)N[*:1])n1C1CC1
C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1)[*:1]
C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 Fc1cccc(c1)[*:1] C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1[*:1])c1ccc(F)cc1
C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 C[C@@H](c1ccc(F)cc1)[*:1] CN1C(=O)C[C@@H](C(=O)NC[*:1])[C@H]1c1cccc(F)c1
CC(C)CC[C@@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1F CC(C)CC[C@@H](C)[*:1] O=C(Nc1cccc(Cl)c1F)C(=O)N[*:1]
CC(C)CC[C@@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1F CC(C)[*:1] C[C@H](CC[*:1])NC(=O)C(=O)Nc1cccc(Cl)c1F
CC(C)CC[C@@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1F CC(C)C[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1cccc(Cl)c1F
CC(C)CC[C@@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1F CC(C)CC[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1F)[*:1]
CCC(=O)N[C@H](Cc1ccccc1)c1sccc1C Cc1ccsc1[*:1] CCC(=O)N[C@H](Cc1ccccc1)[*:1]
CCC(=O)N[C@H](Cc1ccccc1)c1sccc1C CCC(=O)N[*:1] Cc1ccsc1[C@@H](Cc1ccccc1)[*:1]
CCC(=O)N[C@H](Cc1ccccc1)c1sccc1C c1ccc(cc1)[*:1] CCC(=O)N[C@H](C[*:1])c1sccc1C
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 CC(=O)[*:1] O=C([O-])c1ccc(cc1)N1C(=O)C(O)=C([C@@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=C([O-])c1ccc(cc1)[*:1] CC(=O)C1=C(O)C(=O)N([C@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)C1=C(O)C(=O)N(c2ccc(cc2)C(=O)[O-])[C@H]1c1ccc(cc1)[*:1]
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(=O)C1=C(O)C(=O)N(c2ccc(cc2)C(=O)[O-])[C@@H]1[*:1]
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 O=C([O-])[*:1] CC(=O)C1=C(O)C(=O)N(c2ccc(cc2)[*:1])[C@H]1c1ccc(cc1)[N+](=O)[O-]
Cc1ccc(C2=NO[C@@H](Cn3nnc4ccccc43)C2)cc1 Cc1ccc(cc1)[*:1] c1ccc2c(c1)nnn2C[C@H]1CC(=NO1)[*:1]
Cc1cccc2c(CCNC(=O)N[C@@H](CO)c3ccccc3F)c[nH]c12 Fc1ccccc1[*:1] Cc1cccc2c(c[nH]c12)CCNC(=O)N[C@@H](CO)[*:1]
CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(=O)OC)ncn3n2)cc1 CCc1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)Cn1ncn2nc(cc2c1=O)[*:1]
CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(=O)OC)ncn3n2)cc1 COC(=O)c1ccccc1[*:1] CCc1ccc(cc1)-c1cc2c(=O)n(CC(=O)N[*:1])ncn2n1
CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(=O)OC)ncn3n2)cc1 COC(=O)[*:1] CCc1ccc(cc1)-c1cc2c(=O)n(CC(=O)Nc3ccccc3[*:1])ncn2n1
COCCCCNC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 COCCC[*:1] O=C(NC[*:1])N1CCCC[C@@H]1c1nc2ccccc2s1
COCCCCNC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 COCCCC[*:1] O=C(N[*:1])N1CCCC[C@@H]1c1nc2ccccc2s1
COCCCCNC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 COCC[*:1] O=C(NCC[*:1])N1CCCC[C@@H]1c1nc2ccccc2s1
COCCCCNC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 COC[*:1] O=C(NCCC[*:1])N1CCCC[C@@H]1c1nc2ccccc2s1
Cc1ncsc1CC[C@@H]1CCCc2ccccc2[C@@H]1O Cc1ncsc1[*:1] O[C@H]1c2ccccc2CCC[C@H]1CC[*:1]
Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)n(C)n1 Clc1ccc(s1)[*:1] Cc1cc(NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)[*:1])n(C)n1
Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)s1
O=C([O-])c1cc2c(N3CCC(Cc4ccccc4)CC3)ncnc2s1 c1ccc(cc1)[*:1] O=C([O-])c1cc2c(ncnc2s1)N1CCC(CC1)C[*:1]
O=C([O-])c1cc2c(N3CCC(Cc4ccccc4)CC3)ncnc2s1 c1ccc(cc1)C[*:1] O=C([O-])c1cc2c(ncnc2s1)N1CCC(CC1)[*:1]
O=C([O-])c1cc2c(N3CCC(Cc4ccccc4)CC3)ncnc2s1 O=C([O-])[*:1] c1ccc(cc1)CC1CCN(CC1)c1ncnc2sc(cc12)[*:1]
COC(=O)c1cc(S(=O)(=O)NCc2nc(C)c(C)o2)cn1C COC(=O)[*:1] Cc1nc(CNS(=O)(=O)c2cc(n(C)c2)[*:1])oc1C
COC(=O)c1cc(S(=O)(=O)NCc2nc(C)c(C)o2)cn1C Cc1nc(oc1C)[*:1] COC(=O)c1cc(cn1C)S(=O)(=O)NC[*:1]
CCOc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(Cc3ccccc3C)c2=O)cc1 CCO[*:1] Cc1ccccc1Cn1c(=O)n(-c2ccc(cc2)[*:1])c(=O)c2c(C)c(sc21)C(=O)N(C)C
CCOc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(Cc3ccccc3C)c2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1ccccc1Cn1c(=O)n(c(=O)c2c(C)c(sc21)C(=O)N(C)C)[*:1]
CCOc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(Cc3ccccc3C)c2=O)cc1 Cc1ccccc1C[*:1] CCOc1ccc(cc1)-n1c(=O)c2c(C)c(sc2n(c1=O)[*:1])C(=O)N(C)C
CCOc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(Cc3ccccc3C)c2=O)cc1 Cc1ccccc1[*:1] CCOc1ccc(cc1)-n1c(=O)c2c(C)c(sc2n(C[*:1])c1=O)C(=O)N(C)C
CCOc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(Cc3ccccc3C)c2=O)cc1 CN(C)C(=O)[*:1] CCOc1ccc(cc1)-n1c(=O)c2c(C)c(sc2n(Cc2ccccc2C)c1=O)[*:1]
O=S(=O)(Nc1ccc(C2=NO[C@@H]([C@H]3N=NC4=C3CCCC4)N2)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)C1=NO[C@H](N1)[C@H]1N=NC2CCCCC=21)[*:1]
CC[C@H](C)NC(=O)c1cc(Br)ccc1F CC[C@H](C)[*:1] O=C(N[*:1])c1cc(Br)ccc1F
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)CC2=O)cc1 c1cc2OCCOc2cc1[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1cc(NC(=O)[C@H](C)SCc2cccc3c2OCCO3)on1 Cc1cc(on1)[*:1] C[C@H](SCc1cccc2OCCOc12)C(=O)N[*:1]
Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc(Br)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@@H](Nc1ccc(Br)cc1)C(=O)[*:1])c1ccco1
Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc(Br)cc2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C(=O)[C@@H](NC(=O)[*:1])Nc1ccc(Br)cc1
Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)[C@@H](NC(=O)c1ccco1)N[*:1]
Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc(Br)cc2)cc1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1)C(=O)[C@@H](Nc1ccc(Br)cc1)[*:1]
Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc(Br)cc2)cc1 Brc1ccc(cc1)N[*:1] Cc1ccc(cc1)C(=O)[C@@H](NC(=O)c1ccco1)[*:1]
C=CCCCC(=O)[C@H]1CSCCS1 C=CC[*:1] O=C(CC[*:1])[C@H]1CSCCS1
C=CCCCC(=O)[C@H]1CSCCS1 C=CCC[*:1] O=C(C[*:1])[C@H]1CSCCS1
CC(C)CCNC(=O)NC[C@@H](O)C1CCOCC1 CC(C)[*:1] O=C(NCC[*:1])NC[C@@H](O)C1CCOCC1
CC(C)CCNC(=O)NC[C@@H](O)C1CCOCC1 CC(C)C[*:1] O=C(NC[C@@H](O)C1CCOCC1)NC[*:1]
CC(C)CCNC(=O)NC[C@@H](O)C1CCOCC1 C1CC(CCO1)[*:1] CC(C)CCNC(=O)NC[C@@H](O)[*:1]
CC(C)CCNC(=O)NC[C@@H](O)C1CCOCC1 CC(C)CC[*:1] O=C(NC[C@@H](O)C1CCOCC1)N[*:1]
c1ccc2c(c1)C[NH2+]C1(CCCC1)CN2[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] c1ccc2c(c1)C[NH2+]C1(CCCC1)CN2[*:1]
O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(OC[C@H](O)C[NH+]2CCCCCC2)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OC[C@H](O)C[NH+]1CCCCCC1
Cn1cc(/C=C\C(=O)c2ccc(Br)cc2)c2ccccc21 Brc1ccc(cc1)[*:1] Cn1cc(/C=C\C(=O)[*:1])c2ccccc21
O=C(Nc1ccc(NCc2cc(Br)cs2)cc1)C1CC1 Brc1csc(c1)[*:1] O=C(Nc1ccc(cc1)NC[*:1])C1CC1
O=C(Nc1ccc(NCc2cc(Br)cs2)cc1)C1CC1 C1CC1[*:1] O=C(Nc1ccc(cc1)NCc1cc(Br)cs1)[*:1]
O=C(Nc1ccc(NCc2cc(Br)cs2)cc1)C1CC1 O=C(N[*:1])C1CC1 Brc1csc(c1)CNc1ccc(cc1)[*:1]
O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1COc2ccccc2O1 O=[N+]([O-])[*:1] O=C(COc1ccc(cc1Cl)[*:1])NC[C@H]1COc2ccccc2O1
Cc1ccc(Nc2nnc(-c3ccc(Cl)cc3)c(=O)n2N)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc(-c2ccc(Cl)cc2)c1=O)N[*:1]
Cc1ccc(Nc2nnc(-c3ccc(Cl)cc3)c(=O)n2N)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)Nc1nnc(c(=O)n1N)[*:1]
CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(F)c1 CCC(CC)[*:1] Cc1ccc(cc1F)N1/C(=N\C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
O=C(CSCc1ccccc1Cl)NNC(=O)Nc1ccc2c(c1)OCO2 Clc1ccccc1C[*:1] O=C(CS[*:1])NNC(=O)Nc1ccc2OCOc2c1
O=C(CSCc1ccccc1Cl)NNC(=O)Nc1ccc2c(c1)OCO2 Clc1ccccc1[*:1] O=C(CSC[*:1])NNC(=O)Nc1ccc2OCOc2c1
COc1ccccc1N1CCN(C(=O)CCc2c(C)nc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 COc1ccccc1[*:1] Cc1nc2c(c(C)c1CCC(=O)N1CCN(CC1)[*:1])c(=O)n(C)c(=O)n2C
COc1ccccc1/C=C/C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@@H](C1)[*:1] COc1ccccc1/C=C/C(=O)N(C[*:1])[C@@H]1CCSC1
COc1ccccc1/C=C/C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 COc1ccccc1[*:1] O=C(C=C[*:1])N(C[C@@H]1CCCO1)[C@@H]1CCSC1
COc1ccccc1/C=C/C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@@H](C1)C[*:1] COc1ccccc1/C=C/C(=O)N([C@@H]1CCSC1)[*:1]
O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccccc1 c1ccc2c(c1)CCN2[*:1] O=C(NC[C@H](c1ccco1)[*:1])C(=O)Nc1ccccc1
O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccccc1 c1coc(c1)[*:1] O=C(NC[C@H](N1CCc2ccccc21)[*:1])C(=O)Nc1ccccc1
O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)N[*:1]
CC(=O)SCC(=O)[C@H](C#N)c1ccccn1 CC(=O)SC[*:1] N#C[C@@H](C(=O)[*:1])c1ccccn1
CC(=O)SCC(=O)[C@H](C#N)c1ccccn1 CC(=O)S[*:1] N#C[C@@H](C(=O)C[*:1])c1ccccn1
O[C@@H](COc1ccccc1)CSc1ccc2ccccc2n1 c1ccc(cc1)O[*:1] O[C@H](CSc1ccc2ccccc2n1)C[*:1]
O[C@@H](COc1ccccc1)CSc1ccc2ccccc2n1 c1ccc(cc1)[*:1] O[C@@H](CO[*:1])CSc1ccc2ccccc2n1
Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](c3ccccc3)C2)c(F)c1 Cc1ccc(c(F)c1)[*:1] C[C@H](C(=O)N[*:1])N1CCO[C@@H](C1)c1ccccc1
Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](c3ccccc3)C2)c(F)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](C2)[*:1])c(F)c1
Fc1cccc(Cl)c1[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1Cc1ccccn1 c1ccc(nc1)[*:1] Fc1cccc(Cl)c1[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C[*:1]
Fc1cccc(Cl)c1[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1Cc1ccccn1 c1ccc(C[*:1])nc1 Fc1cccc(Cl)c1[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1[*:1]
Fc1cccc(Cl)c1[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1Cc1ccccn1 Fc1cccc(Cl)c1[*:1] c1ccc(CN2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2[*:1])nc1
CCCC[C@@H]1NC(=O)N(CC(=O)Nc2ccnn2C2CCCC2)C1=O CCCC[*:1] O=C(CN1C(=O)N[C@H](C1=O)[*:1])Nc1ccnn1C1CCCC1
CCCC[C@@H]1NC(=O)N(CC(=O)Nc2ccnn2C2CCCC2)C1=O CCC[*:1] O=C(CN1C(=O)N[C@@H](C[*:1])C1=O)Nc1ccnn1C1CCCC1
CCCC[C@@H]1NC(=O)N(CC(=O)Nc2ccnn2C2CCCC2)C1=O C1CCC(C1)[*:1] CCCC[C@@H]1NC(=O)N(CC(=O)Nc2ccnn2[*:1])C1=O
O=C1CN(c2ccccc2)C(=O)N1CN1CCCSCC1 C1CSCCN(C1)[*:1] O=C1CN(C(=O)N1C[*:1])c1ccccc1
O=C1CN(c2ccccc2)C(=O)N1CN1CCCSCC1 c1ccc(cc1)[*:1] O=C1CN(C(=O)N1CN1CCCSCC1)[*:1]
CCc1ncc(C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cn1 c1cncc(c1)[*:1] CCc1ncc(cn1)C(=O)N1CCC[C@@H](C1)c1nc(no1)[*:1]
CCc1ncc(C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cn1 CCc1ncc(cn1)[*:1] O=C(N1CCC[C@@H](C1)c1nc(no1)-c1cccnc1)[*:1]
Cc1cccc(NC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)c1C CC(C)NS(=O)(=O)[*:1] Cc1cccc(NC(=O)NCc2ccccc2C[*:1])c1C
Cc1cccc(NC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)c1C Cc1cccc(c1C)[*:1] CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N[*:1]
Cc1cccc(NC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)c1C CC(C)[*:1] Cc1cccc(NC(=O)NCc2ccccc2CS(=O)(=O)N[*:1])c1C
Cc1cccc(NC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)c1C CC(C)NS(=O)(=O)C[*:1] Cc1cccc(NC(=O)NCc2ccccc2[*:1])c1C
CNC(=O)[C@H](C)Oc1cccc(C(C)C)c1 CC(C)[*:1] CNC(=O)[C@H](C)Oc1cccc(c1)[*:1]
CNC(=O)[C@H](C)Oc1cccc(C(C)C)c1 CNC(=O)[*:1] CC(C)c1cccc(c1)O[C@@H](C)[*:1]
O=C(C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC(O)CC1 c1ccc(cc1)C[*:1] O=C(C1CCN(CC1)C1CC[NH+](CC1)CC[*:1])N1CCC(O)CC1
O=C(C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC(O)CC1 c1ccc(cc1)CC[*:1] O=C(C1CCN(CC1)C1CC[NH+](CC1)C[*:1])N1CCC(O)CC1
O=C(C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC(O)CC1 c1ccc(cc1)CCC[*:1] O=C(C1CCN(CC1)C1CC[NH+](CC1)[*:1])N1CCC(O)CC1
O=C(C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC(O)CC1 c1ccc(cc1)[*:1] O=C(C1CCN(CC1)C1CC[NH+](CCC[*:1])CC1)N1CCC(O)CC1
O=C(C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC(O)CC1 O=C(N1CCC(O)CC1)[*:1] c1ccc(cc1)CCC[NH+]1CCC(CC1)N1CCC(CC1)[*:1]
O=C1[C@@H](c2ccccc2)N(C2CC2)C(=O)[C@@H]2CCCCN12 c1ccc(cc1)[*:1] O=C1[C@@H](N(C(=O)[C@@H]2CCCCN12)C1CC1)[*:1]
O=C1[C@@H](c2ccccc2)N(C2CC2)C(=O)[C@@H]2CCCCN12 C1CC1[*:1] O=C1[C@@H](c2ccccc2)N(C(=O)[C@@H]2CCCCN12)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C CC(C)=C[*:1] CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1[C@H](C1(C)C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C CNC(=O)[C@H](C)[*:1] CC(C)=C[C@H]1[C@H](C(=O)N(C)C[*:1])C1(C)C
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C CNC(=O)[*:1] CC(C)=C[C@H]1[C@H](C(=O)N(C)C[C@@H](C)[*:1])C1(C)C
CCOC(=O)CCc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] CCOC(=O)CCc1nc(cs1)[*:1]
CCOC(=O)CCc1nc(C(C)(C)C)cs1 CCOC(=O)[*:1] CC(C)(C)c1csc(CC[*:1])n1
COc1ccccc1OC(=O)CSCc1cccnc1 c1cncc(c1)[*:1] COc1ccccc1OC(=O)CSC[*:1]
Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)c1nnc(s1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)c1nnc(s1)C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1 Cc1ccccc1NC(=O)[*:1] Cc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
Cc1nc2cc(NC(=O)CCC(=O)c3ccc(F)c(F)c3)ccc2o1 Fc1ccc(cc1F)[*:1] Cc1nc2cc(ccc2o1)NC(=O)CCC(=O)[*:1]
O=C(OCc1nnnn1-c1ccccc1)C1CCN(c2cnccn2)CC1 c1ccc(cc1)[*:1] O=C(OCc1nnnn1[*:1])C1CCN(CC1)c1cnccn1
O=C(OCc1nnnn1-c1ccccc1)C1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] O=C(OCc1nnnn1-c1ccccc1)C1CCN(CC1)[*:1]
C[C@@](N)(C(=O)N1CCc2sccc2[C@@H]1C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@](N)(C(=O)N1CCc2sccc2[C@@H]1C(=O)[O-])[*:1]
C[C@@](N)(C(=O)N1CCc2sccc2[C@@H]1C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@](N)(C(=O)N1CCc2sccc2[C@H]1[*:1])C(F)(F)F
C[C@@](N)(C(=O)N1CCc2sccc2[C@@H]1C(=O)[O-])C(F)(F)F C[C@@](N)(C(F)(F)F)[*:1] O=C([O-])[C@H]1c2ccsc2CCN1C(=O)[*:1]
O=C(CC1CCCCC1)Nc1ccc(F)cc1F C1CCC(CC1)[*:1] O=C(C[*:1])Nc1ccc(F)cc1F
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 C[C@@H]1C[C@@H]1C(=O)N[*:1] Clc1ccc(cc1-c1nnc2CCCCCn21)[*:1]
COc1ccc(CC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 OCc1ccc(o1)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(c(C)c1)[*:1]
COc1ccc(CC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 COc1ccc(cc1)[*:1] Cc1cc(ccc1-c1ccc(CO)o1)NC(=O)C[*:1]
CCCn1nc(C(=O)N[C@H](c2ccccc2)c2ccccn2)ccc1=O c1ccc(cc1)[*:1] CCCn1nc(ccc1=O)C(=O)N[C@H](c1ccccn1)[*:1]
CCCn1nc(C(=O)N[C@H](c2ccccc2)c2ccccn2)ccc1=O c1ccc(nc1)[*:1] CCCn1nc(ccc1=O)C(=O)N[C@H](c1ccccc1)[*:1]
CCCn1nc(C(=O)N[C@H](c2ccccc2)c2ccccn2)ccc1=O CCC[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(=O)n(n1)[*:1]
Cn1c(C(=O)NCCNC(=O)c2ccccc2)cc2ccccc21 c1ccc(cc1)[*:1] Cn1c(cc2ccccc21)C(=O)NCCNC(=O)[*:1]
CCc1onc(C)c1NC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 CC(C)C[*:1] CCc1onc(C)c1NC(=O)C[C@H]1CCCN(C1)C(=O)N[*:1]
CCc1onc(C)c1NC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 CC(C)[*:1] CCc1onc(C)c1NC(=O)C[C@H]1CCCN(C1)C(=O)NC[*:1]
CCc1onc(C)c1NC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 CCc1onc(C)c1[*:1] CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[*:1])C1
O=c1[nH]c2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O FC(F)(F)[*:1] O=c1[nH]c2cc(ccc2n(Cc2ccccc2)c1=O)[*:1]
O=c1[nH]c2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] O=c1[nH]c2cc(ccc2n(C[*:1])c1=O)C(F)(F)F
O=c1[nH]c2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] O=c1[nH]c2cc(ccc2n(c1=O)[*:1])C(F)(F)F
CC[C@@H](C#N)OC(=O)/C=C/c1cccc(OC2CCCC2)c1 C1CCC(C1)O[*:1] CC[C@@H](C#N)OC(=O)/C=C/c1cccc(c1)[*:1]
CC[C@@H](C#N)OC(=O)/C=C/c1cccc(OC2CCCC2)c1 C1CCC(C1)[*:1] CC[C@@H](C#N)OC(=O)/C=C/c1cccc(c1)O[*:1]
Cc1ncsc1CNC(=O)c1cn(C)nc1-c1ccccc1 Cc1ncsc1C[*:1] Cn1cc(C(=O)N[*:1])c(n1)-c1ccccc1
Cc1ncsc1CNC(=O)c1cn(C)nc1-c1ccccc1 Cc1ncsc1[*:1] Cn1cc(C(=O)NC[*:1])c(n1)-c1ccccc1
Cc1ncsc1CNC(=O)c1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ncsc1CNC(=O)c1cn(C)nc1[*:1]
COc1cccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 COc1cccc(c1)[*:1] O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N[*:1]
Cc1nc2cc(N(C)CCOCC3CC3)c(N)cc2s1 C1CC1[*:1] Cc1nc2cc(c(N)cc2s1)N(C)CCOC[*:1]
Cc1nc2cc(N(C)CCOCC3CC3)c(N)cc2s1 C1CC1CO[*:1] Cc1nc2cc(c(N)cc2s1)N(C)CC[*:1]
Cc1nc2cc(N(C)CCOCC3CC3)c(N)cc2s1 C1CC1COC[*:1] Cc1nc2cc(c(N)cc2s1)N(C)C[*:1]
Cc1nc2cc(N(C)CCOCC3CC3)c(N)cc2s1 C1CC1C[*:1] Cc1nc2cc(c(N)cc2s1)N(C)CCO[*:1]
COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)C1CCCC1 NC(=O)N[*:1] COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(cc1)[*:1])C1CCCC1
COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)C1CCCC1 COc1ccccc1[*:1] C[C@@H]([NH2+][C@@H](C1CCCC1)[*:1])c1ccc(cc1)NC(N)=O
COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(NC(N)=O)cc1)C1CCCC1 C1CCC(C1)[*:1] COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(cc1)NC(N)=O)[*:1]
COc1ccc(-c2cc(/C([O-])=C(\C#N)C(=O)NC(C)C)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1sc(cc1[*:1])/C([O-])=C(\C#N)C(=O)NC(C)C
COc1ccc(-c2cc(/C([O-])=C(\C#N)C(=O)NC(C)C)sc2C)cc1 CC(C)NC(=O)[*:1] COc1ccc(cc1)-c1cc(sc1C)C([O-])=C(C#N)[*:1]
COc1ccc(-c2cc(/C([O-])=C(\C#N)C(=O)NC(C)C)sc2C)cc1 CC(C)[*:1] COc1ccc(cc1)-c1cc(sc1C)/C([O-])=C(\C#N)C(=O)N[*:1]
CCCCC[C@H](C)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 CCCC[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1CC(=O)N(C1)C1CC1
CCCCC[C@H](C)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 CCCCC[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)C1CC1)[*:1]
CCCCC[C@H](C)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] CCCCC[C@H](C)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCCCC[C@H](C)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 CCC[*:1] C[C@@H](CC[*:1])NC(=O)[C@H]1CC(=O)N(C1)C1CC1
O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/Nc1ccccc1Cl O=[N+]([O-])[*:1] O=C1OC(=N/C1=C/Nc1ccccc1Cl)c1ccc(cc1)[*:1]
O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/Nc1ccccc1Cl Clc1ccccc1N[*:1] O=C1OC(=NC1=C[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/Nc1ccccc1Cl Clc1ccccc1[*:1] O=C1OC(=N/C1=C/N[*:1])c1ccc(cc1)[N+](=O)[O-]
CCOc1ccc(C2=CCN(C(=O)[C@H]3CCCN(C(=O)[C@H](C)CC)C3)CC2)cc1 CCO[*:1] CC[C@@H](C)C(=O)N1CCC[C@@H](C1)C(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)[C@H]3CCCN(C(=O)[C@H](C)CC)C3)CC2)cc1 CCOc1ccc(cc1)[*:1] CC[C@@H](C)C(=O)N1CCC[C@@H](C1)C(=O)N1CC=C(CC1)[*:1]
CCOc1ccc(C2=CCN(C(=O)[C@H]3CCCN(C(=O)[C@H](C)CC)C3)CC2)cc1 CC[C@@H](C)[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 CNC(=O)N[*:1] C[C@H](NC(=O)C[*:1])[C@@H](C)C1CCCCC1
CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 C1CCC(CC1)[*:1] CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)[*:1]
CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 CNC(=O)NC[*:1] C[C@H](NC(=O)[*:1])[C@@H](C)C1CCCCC1
Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c(C)n1C O=C(N1CCCCCC1)[*:1] Cc1c(c(c(C)n1C)[*:1])S(=O)(=O)[N-]c1cccc(C#N)c1
CCCN(CCC)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 CCC[*:1] CCCN(C(=O)c1ccc(F)c(c1)S(=O)(=O)N1CCCCC1)[*:1]
CC[C@@]1(C(=O)[O-])CCCN(c2nc[nH+]c3c2CCCC3)C1 O=C([O-])[*:1] CC[C@]1(CCCN(C1)c1nc[nH+]c2CCCCc12)[*:1]
CCCOC(=O)C1(O)CCCC1 CCC[*:1] O=C(O[*:1])C1(O)CCCC1
CCCNC(=O)c1cccc(C(=O)N(C)C2CCCCCC2)c1 CCC[*:1] CN(C(=O)c1cccc(c1)C(=O)N[*:1])C1CCCCCC1
CCCNC(=O)c1cccc(C(=O)N(C)C2CCCCCC2)c1 CCCNC(=O)[*:1] CN(C(=O)c1cccc(c1)[*:1])C1CCCCCC1
CCCNC(=O)c1cccc(C(=O)N(C)C2CCCCCC2)c1 C1CCCC(CC1)[*:1] CCCNC(=O)c1cccc(c1)C(=O)N(C)[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 COC[*:1] O=C(c1ccc2nccnc2c1)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 COCC[*:1] O=C(c1ccc2nccnc2c1)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
O=C(CNC(=O)c1cc2c(s1)CCCC2)NCC1(c2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(CNC(=O)c1cc2CCCCc2s1)NCC1(CC1)[*:1]
CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)C(C)(C)C CC(C)(C)C(=O)[*:1] CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OC[*:1]
CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)C(C)(C)C CC(C)[*:1] CC(C)(C)C(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2[*:1]
CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)C(C)(C)C CC(C)(C)[*:1] CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)[*:1]
CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)C(C)(C)C CC(C)(C)C(=O)C[*:1] CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)O[*:1]
CCCS(=O)(=O)N1CCN(CCNC(=O)c2sc3ccccc3c2Cl)CC1 CCC[*:1] O=C(NCCN1CCN(CC1)S(=O)(=O)[*:1])c1sc2ccccc2c1Cl
O=C(NC[C@@H](CCO)c1ccccc1)[C@@H]1C[C@@]12CCCc1ccccc12 OCC[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])[C@@H]1C[C@@]12CCCc1ccccc12
O=C(NC[C@@H](CCO)c1ccccc1)[C@@H]1C[C@@]12CCCc1ccccc12 c1ccc(cc1)[*:1] O=C(NC[C@@H](CCO)[*:1])[C@@H]1C[C@@]12CCCc1ccccc12
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)/C=C/c1ccco1 C(=C[*:1])c1ccco1 COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)/C=C/c1ccco1 COC(=O)[*:1] O=C(/C=C/c1ccco1)N[C@@H]1CCCCC[C@@H]1[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)/C=C/c1ccco1 c1coc(c1)[*:1] COC(=O)[C@H]1CCCCC[C@H]1NC(=O)C=C[*:1]
CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C CC(C)(C)C[*:1] CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(nn1C)[*:1]
CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C CC(C)(C)[*:1] CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C[*:1])nn1C
COc1ccc(NNC(=O)c2cn(C)nc2C(C)(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NNC(=O)c2cn(C)nc2C(C)(C)C)c(c1)[*:1]
COc1ccc(NNC(=O)c2cn(C)nc2C(C)(C)C)c([N+](=O)[O-])c1 CC(C)(C)[*:1] COc1ccc(NNC(=O)c2cn(C)nc2[*:1])c(c1)[N+](=O)[O-]
C=CCS(=O)(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)CC1 C=CC[*:1] CC(C)(C)[C@@H]1C[C@@H](n2nc(cc2N1)C1CCN(CC1)S(=O)(=O)[*:1])C(F)(F)F
C=CCS(=O)(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)CC1 CC(C)(C)[*:1] C=CCS(=O)(=O)N1CCC(CC1)c1cc2N[C@H](C[C@@H](n2n1)C(F)(F)F)[*:1]
C=CCS(=O)(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)CC1 FC(F)(F)[*:1] C=CCS(=O)(=O)N1CCC(CC1)c1cc2N[C@@H](C[C@H](n2n1)[*:1])C(C)(C)C
CCS(=O)(=O)c1ccc(NC(=O)N2CCN(c3nc(C)cs3)CC2)cc1 CCS(=O)(=O)[*:1] Cc1csc(n1)N1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)N2CCN(c3nc(C)cs3)CC2)cc1 Cc1csc(n1)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
O=C1NCCN1CC[NH2+]C[C@]1(c2cccc(F)c2)CCOC1 Fc1cccc(c1)[*:1] O=C1NCCN1CC[NH2+]C[C@@]1(CCOC1)[*:1]
O=C1NCCN1CC[NH2+]C[C@]1(c2cccc(F)c2)CCOC1 O=C1NCCN1C[*:1] Fc1cccc(c1)[C@]1(CCOC1)C[NH2+]C[*:1]
O=C1NCCN1CC[NH2+]C[C@]1(c2cccc(F)c2)CCOC1 O=C1NCCN1[*:1] Fc1cccc(c1)[C@]1(CCOC1)C[NH2+]CC[*:1]
Cc1cc([O-])c(C(=O)/C=C/c2c(C(C)C)nn(-c3ccccc3)c2Cl)c(=O)o1 CC(C)[*:1] Cc1cc([O-])c(C(=O)/C=C/c2c(nn(-c3ccccc3)c2Cl)[*:1])c(=O)o1
Cc1cc([O-])c(C(=O)/C=C/c2c(C(C)C)nn(-c3ccccc3)c2Cl)c(=O)o1 c1ccc(cc1)[*:1] Cc1cc([O-])c(C(=O)/C=C/c2c(nn(c2Cl)[*:1])C(C)C)c(=O)o1
Cc1cc(Cl)cc(C)c1OC[C@@H](O)C[NH2+]C(C)(C)C CC(C)(C)[*:1] Cc1cc(Cl)cc(C)c1OC[C@@H](O)C[NH2+][*:1]
CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)c3ccncc3)cc(C3CC3)nc21 C[C@@H](c1ccncc1)[*:1] CCn1c(=O)[nH]c(=O)c2c(cc(nc21)C1CC1)C(=O)N[*:1]
CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)c3ccncc3)cc(C3CC3)nc21 c1cc(ccn1)[*:1] CCn1c(=O)[nH]c(=O)c2c(cc(nc21)C1CC1)C(=O)N[C@@H](C)[*:1]
CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)c3ccncc3)cc(C3CC3)nc21 C1CC1[*:1] CCn1c(=O)[nH]c(=O)c2c(cc(nc21)[*:1])C(=O)N[C@@H](C)c1ccncc1
Brc1csc(-c2noc(CSc3ncn[nH]3)n2)c1 Brc1csc(c1)[*:1] c1n[nH]c(n1)SCc1nc(no1)[*:1]
Brc1csc(-c2noc(CSc3ncn[nH]3)n2)c1 c1n[nH]c(n1)S[*:1] Brc1csc(c1)-c1noc(C[*:1])n1
Brc1csc(-c2noc(CSc3ncn[nH]3)n2)c1 c1n[nH]c(n1)[*:1] Brc1csc(c1)-c1noc(CS[*:1])n1
CO[C@H](C)c1cccc(NC(=O)C(=O)N[C@H](C)c2c(C)noc2C)c1 CO[C@H](C)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CO[C@H](C)c1cccc(NC(=O)C(=O)N[C@H](C)c2c(C)noc2C)c1 Cc1noc(C)c1[*:1] CO[C@H](C)c1cccc(c1)NC(=O)C(=O)N[C@H](C)[*:1]
NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)c1 NS(=O)(=O)[*:1] O=C(c1cc(ccc1F)[*:1])N1CCCC[C@H]1CC[NH+]1CCCC1
C[C@@H](CNC(=O)N1CCC[C@H]1CN1CCOCC1)N(C)c1ccccc1 C1CN(CCO1)C[*:1] C[C@@H](CNC(=O)N1CCC[C@@H]1[*:1])N(C)c1ccccc1
C[C@@H](CNC(=O)N1CCC[C@H]1CN1CCOCC1)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@H](CNC(=O)N1CCC[C@H]1CN1CCOCC1)[*:1]
C[C@@H](CNC(=O)N1CCC[C@H]1CN1CCOCC1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N1CCC[C@H]1CN1CCOCC1)N(C)[*:1]
C[C@@H](CNC(=O)N1CCC[C@H]1CN1CCOCC1)N(C)c1ccccc1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)N1CCC[C@H]1C[*:1])N(C)c1ccccc1
Cc1c(NC(=O)C2(c3cccc(Cl)c3)CCC2)c(=O)n(-c2ccccc2)n1C Clc1cccc(c1)[*:1] Cc1c(NC(=O)C2(CCC2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)C2(c3cccc(Cl)c3)CCC2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)C2(CCC2)c2cccc(Cl)c2)c(=O)n(n1C)[*:1]
CCCCCNC(=O)Cc1c[nH]c2ccccc12 CCCCC[*:1] O=C(Cc1c[nH]c2ccccc12)N[*:1]
CCCCCNC(=O)Cc1c[nH]c2ccccc12 CCCC[*:1] O=C(Cc1c[nH]c2ccccc12)NC[*:1]
CCCCCNC(=O)Cc1c[nH]c2ccccc12 CCC[*:1] O=C(Cc1c[nH]c2ccccc12)NCC[*:1]
CCCC#C[C@](C)(O)C[NH2+][C@H](C)C(=O)[O-] CCC[*:1] C[C@@H]([NH2+]C[C@@](C)(O)C#C[*:1])C(=O)[O-]
CCCC#C[C@](C)(O)C[NH2+][C@H](C)C(=O)[O-] CCCC#C[*:1] C[C@@H]([NH2+]C[C@](C)(O)[*:1])C(=O)[O-]
CCCC#C[C@](C)(O)C[NH2+][C@H](C)C(=O)[O-] O=C([O-])[*:1] CCCC#C[C@](C)(O)C[NH2+][C@H](C)[*:1]
CCNc1ncc(Cn2cccc([N+](=O)[O-])c2=O)s1 O=[N+]([O-])[*:1] CCNc1ncc(Cn2cccc(c2=O)[*:1])s1
CCNc1ncc(Cn2cccc([N+](=O)[O-])c2=O)s1 CCN[*:1] O=c1c(cccn1Cc1cnc(s1)[*:1])[N+](=O)[O-]
COc1cccc(CNC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)Nc1ccc2sc(nc2c1)NC(=O)[*:1]
COc1cccc(CNC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])Nc1ccc2sc(nc2c1)NC(=O)c1ccccc1
COc1cccc(CNC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 O=C(N[*:1])c1ccccc1 COc1cccc(c1)CNC(=O)Nc1ccc2sc(nc2c1)[*:1]
COc1cccc(CNC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 COc1cccc(c1)C[*:1] O=C(Nc1ccc2sc(nc2c1)NC(=O)c1ccccc1)N[*:1]
Cc1cccc(NC(=O)[C@H](C)N2CCN(CCS(C)(=O)=O)CC2)c1 CS(=O)(=O)C[*:1] Cc1cccc(c1)NC(=O)[C@H](C)N1CCN(CC1)C[*:1]
Cc1cccc(NC(=O)[C@H](C)N2CCN(CCS(C)(=O)=O)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)CCS(C)(=O)=O
Cc1cccc(NC(=O)[C@H](C)N2CCN(CCS(C)(=O)=O)CC2)c1 CS(=O)(=O)CC[*:1] Cc1cccc(c1)NC(=O)[C@H](C)N1CCN(CC1)[*:1]
Cc1cccc(NC(=O)[C@H](C)N2CCN(CCS(C)(=O)=O)CC2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)NC(=O)[C@H](C)N1CCN(CC1)CC[*:1]
CC(=O)[C@H](NC(=O)CSc1ccc(O)cc1)C(C)C CC(C)[*:1] CC(=O)[C@H](NC(=O)CSc1ccc(O)cc1)[*:1]
CC(=O)[C@H](NC(=O)CSc1ccc(O)cc1)C(C)C CC(=O)[*:1] CC(C)[C@@H](NC(=O)CSc1ccc(O)cc1)[*:1]
CN1C(=O)C[C@@H](C(=O)NCCc2cccs2)[C@H]1c1cccnc1 c1csc(c1)CC[*:1] CN1C(=O)C[C@@H](C(=O)N[*:1])[C@H]1c1cccnc1
CN1C(=O)C[C@@H](C(=O)NCCc2cccs2)[C@H]1c1cccnc1 c1csc(c1)[*:1] CN1C(=O)C[C@@H](C(=O)NCC[*:1])[C@H]1c1cccnc1
CN1C(=O)C[C@@H](C(=O)NCCc2cccs2)[C@H]1c1cccnc1 c1cncc(c1)[*:1] CN1C(=O)C[C@@H](C(=O)NCCc2cccs2)[C@@H]1[*:1]
CN1C(=O)C[C@@H](C(=O)NCCc2cccs2)[C@H]1c1cccnc1 c1csc(c1)C[*:1] CN1C(=O)C[C@@H](C(=O)NC[*:1])[C@H]1c1cccnc1
Cc1ccc(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cn1 c1ccc(cc1)[*:1] Cc1ccc(cn1)CC(=O)N(C[C@@H](O)c1cccs1)C[*:1]
Cc1ccc(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cn1 c1csc(c1)[*:1] Cc1ccc(cn1)CC(=O)N(Cc1ccccc1)C[C@@H](O)[*:1]
Cc1ccc(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cn1 Cc1ccc(cn1)[*:1] O=C(C[*:1])N(Cc1ccccc1)C[C@@H](O)c1cccs1
Cc1ccc(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cn1 Cc1ccc(cn1)C[*:1] O=C(N(Cc1ccccc1)C[C@@H](O)c1cccs1)[*:1]
Cc1ccc(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)cn1 c1ccc(cc1)C[*:1] Cc1ccc(cn1)CC(=O)N(C[C@@H](O)c1cccs1)[*:1]
O=C(Nc1cccc(Cl)c1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(Cl)c1)N[C@H]([C@H]1CCCO1)[*:1]
O=C(Nc1cccc(Cl)c1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(Nc1cccc(Cl)c1)N[C@H](c1ccc(F)cc1)[*:1]
O=C(Nc1cccc(Cl)c1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 Clc1cccc(c1)[*:1] O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)N[*:1]
COC(=O)[C@H](C)[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 COC(=O)[*:1] C[C@@H]([C@@H](C)[*:1])N1CC[C@@H](C1)[NH+]1CCCCC1
COC(=O)[C@H](C)[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 COC(=O)[C@H](C)[*:1] C[C@H](N1CC[C@@H](C1)[NH+]1CCCCC1)[*:1]
COc1ccc2c(c1)CCN(S(=O)(=O)CCNC(=O)c1cc(OC)ccc1Br)C2 COc1ccc(Br)c(c1)[*:1] COc1ccc2CN(CCc2c1)S(=O)(=O)CCNC(=O)[*:1]
CC(C)(C)c1c(C(=O)[O-])nnn1[C@@H]1CCOC2(CCC2)C1 O=C([O-])[*:1] CC(C)(C)c1c(nnn1[C@@H]1CCOC2(CCC2)C1)[*:1]
CC(C)(C)c1c(C(=O)[O-])nnn1[C@@H]1CCOC2(CCC2)C1 CC(C)(C)[*:1] O=C([O-])c1nnn(c1[*:1])[C@@H]1CCOC2(CCC2)C1
CCc1ccc(C[C@@H]([NH3+])CC(C)C)nc1 CC(C)[*:1] CCc1ccc(C[C@@H]([NH3+])C[*:1])nc1
CCc1ccc(C[C@@H]([NH3+])CC(C)C)nc1 CC(C)C[*:1] CCc1ccc(C[C@@H]([NH3+])[*:1])nc1
CCCOc1nc2ccccc2cc1/C=C/C(=O)N(CC#N)CC#N N#CC[*:1] CCCOc1nc2ccccc2cc1/C=C/C(=O)N(CC#N)[*:1]
CCCOc1nc2ccccc2cc1/C=C/C(=O)N(CC#N)CC#N CCC[*:1] N#CCN(CC#N)C(=O)/C=C/c1cc2ccccc2nc1O[*:1]
CCCOc1nc2ccccc2cc1/C=C/C(=O)N(CC#N)CC#N CCCO[*:1] N#CCN(CC#N)C(=O)/C=C/c1cc2ccccc2nc1[*:1]
Cc1nc(C)c(C(=O)N[C@@H](C#N)c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H](C#N)[*:1]
Cc1noc(C)c1Cc1ccc(C(=O)NCc2ccccc2F)o1 Cc1noc(C)c1C[*:1] O=C(NCc1ccccc1F)c1ccc(o1)[*:1]
Cc1noc(C)c1Cc1ccc(C(=O)NCc2ccccc2F)o1 Fc1ccccc1[*:1] Cc1noc(C)c1Cc1ccc(o1)C(=O)NC[*:1]
Cc1noc(C)c1Cc1ccc(C(=O)NCc2ccccc2F)o1 Fc1ccccc1C[*:1] Cc1noc(C)c1Cc1ccc(o1)C(=O)N[*:1]
Cc1noc(C)c1Cc1ccc(C(=O)NCc2ccccc2F)o1 Cc1noc(C)c1[*:1] O=C(NCc1ccccc1F)c1ccc(C[*:1])o1
Cc1cccc(NC(=O)C(=O)NC[C@H]2C[C@@]23CCc2ccccc23)c1Cl Cc1cccc(c1Cl)[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)C(=O)N[*:1]
CC(C)[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc2c(c1)CCO2 c1ccc(cc1)[*:1] CC(C)[C@H]([NH2+]Cc1cn(nn1)[*:1])c1ccc2OCCc2c1
CC(C)[C@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc2c(c1)CCO2 CC(C)[*:1] c1ccc(cc1)-n1cc(C[NH2+][C@H](c2ccc3OCCc3c2)[*:1])nn1
COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4cccc(C)c4C)c3n2)cc1 COc1ccc(cc1)C[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc([O-])c2cnn(-c3cccc(C)c3C)c2n1
COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4cccc(C)c4C)c3n2)cc1 COc1ccc(cc1)CC(=O)N[*:1] Cc1cc(n(n1)-c1nc([O-])c2cnn(-c3cccc(C)c3C)c2n1)[*:1]
COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4cccc(C)c4C)c3n2)cc1 Cc1cccc(c1C)[*:1] COc1ccc(cc1)CC(=O)Nc1cc(C)nn1-c1nc([O-])c2cnn(c2n1)[*:1]
COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4cccc(C)c4C)c3n2)cc1 COc1ccc(cc1)[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1nc([O-])c2cnn(-c3cccc(C)c3C)c2n1
CCCCC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 CCC[*:1] C/C(=N\NC(=O)C[*:1])c1ccc(cc1)NC(=O)c1ccc(Cl)cc1
CCCCC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 CCCC[*:1] C/C(=N\NC(=O)[*:1])c1ccc(cc1)NC(=O)c1ccc(Cl)cc1
CCCCC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCCCC(=O)N/N=C(\C)c1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2cccc([N+](=O)[O-])c2)c(=O)n1C O=[N+]([O-])[*:1] CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2cccc(c2)[*:1])c(=O)n1C
CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2cccc([N+](=O)[O-])c2)c(=O)n1C CC(C)[*:1] Cn1c(=O)/c(=C/c2cccc(c2)[N+](=O)[O-])s/c1=C(\C#N)C(=O)[*:1]
CC(C)C(=O)/C(C#N)=c1/s/c(=C\c2cccc([N+](=O)[O-])c2)c(=O)n1C CC(C)C(=O)[*:1] Cn1c(=O)/c(=C/c2cccc(c2)[N+](=O)[O-])sc1=C(C#N)[*:1]
Cc1cccc(C)c1OCC(=O)N1CCN(CCOC(C)C)CC1 Cc1cccc(C)c1[*:1] CC(C)OCCN1CCN(CC1)C(=O)CO[*:1]
Cc1cccc(C)c1OCC(=O)N1CCN(CCOC(C)C)CC1 CC(C)OCC[*:1] Cc1cccc(C)c1OCC(=O)N1CCN(CC1)[*:1]
Cc1cccc(C)c1OCC(=O)N1CCN(CCOC(C)C)CC1 CC(C)O[*:1] Cc1cccc(C)c1OCC(=O)N1CCN(CC1)CC[*:1]
Cc1cccc(C)c1OCC(=O)N1CCN(CCOC(C)C)CC1 CC(C)[*:1] Cc1cccc(C)c1OCC(=O)N1CCN(CCO[*:1])CC1
Cc1cccc(C)c1OCC(=O)N1CCN(CCOC(C)C)CC1 CC(C)OC[*:1] Cc1cccc(C)c1OCC(=O)N1CCN(CC1)C[*:1]
Cc1ncsc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)O1 NC(=O)[*:1] Cc1ncsc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](O1)[*:1]
Cc1ncsc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)O1 Cc1ncsc1[*:1] C[C@@H]([NH2+]C[C@H]1CC[C@@H](O1)C(N)=O)[*:1]
O=C([O-])/C=C/C(=O)Nc1ccc2[nH]ncc2c1 O=C([O-])[*:1] O=C(C=C[*:1])Nc1ccc2[nH]ncc2c1
O=C([O-])/C=C/C(=O)Nc1ccc2[nH]ncc2c1 O=C([O-])C=C[*:1] O=C(Nc1ccc2[nH]ncc2c1)[*:1]
Cc1cccc(N(CCC#N)S(=O)(=O)c2ccc3c(c2)COC3)c1 N#CCC[*:1] Cc1cccc(c1)N(S(=O)(=O)c1ccc2COCc2c1)[*:1]
Cc1cccc(N(CCC#N)S(=O)(=O)c2ccc3c(c2)COC3)c1 N#CC[*:1] Cc1cccc(c1)N(C[*:1])S(=O)(=O)c1ccc2COCc2c1
Cc1cccc(N(CCC#N)S(=O)(=O)c2ccc3c(c2)COC3)c1 Cc1cccc(c1)[*:1] N#CCCN(S(=O)(=O)c1ccc2COCc2c1)[*:1]
NS(=O)(=O)CCNC(=O)c1cc(-c2ccccc2F)on1 Fc1ccccc1[*:1] NS(=O)(=O)CCNC(=O)c1cc(on1)[*:1]
NS(=O)(=O)CCNC(=O)c1cc(-c2ccccc2F)on1 NS(=O)(=O)CC[*:1] O=C(N[*:1])c1cc(on1)-c1ccccc1F
NS(=O)(=O)CCNC(=O)c1cc(-c2ccccc2F)on1 NS(=O)(=O)C[*:1] O=C(NC[*:1])c1cc(on1)-c1ccccc1F
NS(=O)(=O)CCNC(=O)c1cc(-c2ccccc2F)on1 NS(=O)(=O)[*:1] O=C(NCC[*:1])c1cc(on1)-c1ccccc1F
CO[C@H]1CCCC[C@@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] Cn1ccnc1C(=O)[*:1] CO[C@H]1CCCC[C@@H]1Nc1ccc(cc1[N+](=O)[O-])[*:1]
CO[C@H]1CCCC[C@@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CO[C@H]1CCCC[C@@H]1Nc1ccc(cc1[*:1])C(=O)c1nccn1C
CO[C@H]1CCCC[C@@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] Cn1ccnc1[*:1] CO[C@H]1CCCC[C@@H]1Nc1ccc(cc1[N+](=O)[O-])C(=O)[*:1]
c1cnc(Oc2ccc(CN3CCCC[C@@H]3c3[nH]cc[nH+]3)cc2)cn1 c1cnc(cn1)O[*:1] c1c[nH+]c([nH]1)[C@H]1CCCCN1Cc1ccc(cc1)[*:1]
c1cnc(Oc2ccc(CN3CCCC[C@@H]3c3[nH]cc[nH+]3)cc2)cn1 c1cnc(cn1)[*:1] c1c[nH+]c([nH]1)[C@H]1CCCCN1Cc1ccc(cc1)O[*:1]
CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(OC)cc1 Clc1cccc(c1)[*:1] CCCNC(=O)[C@H]1COC2(CCN(CC2)C(=O)[*:1])N1C(=O)c1ccc(cc1)OC
CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCCNC(=O)[C@H]1COC2(CCN(CC2)C(=O)c2cccc(Cl)c2)N1C(=O)[*:1]
CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(OC)cc1 CCCNC(=O)[*:1] COc1ccc(cc1)C(=O)N1[C@H](COC12CCN(CC2)C(=O)c1cccc(Cl)c1)[*:1]
CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)C(=O)N1[C@H](COC12CCN(CC2)C(=O)c1cccc(Cl)c1)C(=O)N[*:1]
Cn1ccnc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1=O Cn1ccnc(c1=O)[*:1] N#Cc1ccccc1OCc1ccc(o1)C(=O)N[*:1]
Cn1ccnc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1=O N#Cc1ccccc1[*:1] Cn1ccnc(NC(=O)c2ccc(CO[*:1])o2)c1=O
COc1ccc([C@@H]2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1 COc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N1CC[C@H](C1)[*:1]
Cc1c(Cc2nc(C(C)(C)C)cs2)cccc1C(=O)[O-] CC(C)(C)[*:1] Cc1c(cccc1C(=O)[O-])Cc1nc(cs1)[*:1]
Cc1c(Cc2nc(C(C)(C)C)cs2)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])Cc1nc(cs1)C(C)(C)C
CCOCc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 CCO[*:1] O=C(C[NH+]1CCCC1)NCc1ccc(cc1)C[*:1]
CCOCc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 CCOC[*:1] O=C(C[NH+]1CCCC1)NCc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(=O)Nc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[*:1])cc1
CC(=O)Nc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NC2CCCCC2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(NC1CCCCC1)C(=C[*:1])NC(=O)c1ccccc1
CC(=O)Nc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NC2CCCCC2)cc1 CC(=O)N[*:1] O=C(NC1CCCCC1)/C(=C\c1ccc(cc1)[*:1])NC(=O)c1ccccc1
CC(=O)Nc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NC2CCCCC2)cc1 O=C(N[*:1])c1ccccc1 CC(=O)Nc1ccc(C=C(C(=O)NC2CCCCC2)[*:1])cc1
CC(=O)Nc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NC2CCCCC2)cc1 O=C(NC1CCCCC1)[*:1] CC(=O)Nc1ccc(/C=C(/NC(=O)c2ccccc2)[*:1])cc1
CC(=O)Nc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NC2CCCCC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(/C=C(/NC(=O)[*:1])C(=O)NC2CCCCC2)cc1
CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(cc1)[*:1]
CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(CN2CCCC2=O)cc1 c1ccc2c(cccc2c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(cc1)CN1CCCC1=O
CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(cc1)C[*:1]
C[C@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)[C@@H]1C c1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCO[C@H]2[*:1])[C@@H]1C
C[C@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)[C@@H]1C C[C@H]1CCC[C@@H]([C@@H]1C)[*:1] O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)N[*:1]
C[C@H]1Cc2ccccc2[C@@H]1NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C[C@H]1Cc2ccccc2[C@@H]1NC(=O)C=C1CN(C1)C(=O)O[*:1]
CC(C)Cc1cc(-c2nccn2-c2ccc3nccnc3c2)n[nH]1 CC(C)C[*:1] c1cn(-c2ccc3nccnc3c2)c(n1)-c1cc([nH]n1)[*:1]
CC(C)Cc1cc(-c2nccn2-c2ccc3nccnc3c2)n[nH]1 CC(C)[*:1] c1cn(-c2ccc3nccnc3c2)c(n1)-c1cc(C[*:1])[nH]n1
Cc1ccc([C@@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCC3)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cccc(c1C)N1C[C@](O)([N+]2CCCCC=21)[*:1]
Cc1ccc([C@@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCC3)c(C)c1 Cc1cccc(c1C)[*:1] Cc1ccc(c(C)c1)[C@@]1(O)CN(C2CCCC[N+]=21)[*:1]
Cc1cccc(-c2nccc(Nc3cccc(C(=O)NC(C)C)c3)n2)c1 CC(C)[*:1] Cc1cccc(c1)-c1nccc(n1)Nc1cccc(c1)C(=O)N[*:1]
Cc1cccc(-c2nccc(Nc3cccc(C(=O)NC(C)C)c3)n2)c1 Cc1cccc(c1)[*:1] CC(C)NC(=O)c1cccc(c1)Nc1ccnc(n1)[*:1]
Cc1cccc(-c2nccc(Nc3cccc(C(=O)NC(C)C)c3)n2)c1 CC(C)NC(=O)[*:1] Cc1cccc(c1)-c1nccc(n1)Nc1cccc(c1)[*:1]
Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)C2CCCC2)cc1N C1CCC(C1)[*:1] Cc1cc(Cl)c(cc1N)S(=O)(=O)N[C@@H](C)[*:1]
C[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(F)nc1 Fc1ccc(cn1)[*:1] C[C@@H](Cc1ccc2ccccc2c1)NC(=O)[*:1]
Cc1ccc(Br)cc1/C([O-])=C(/C#N)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(Br)cc1/C([O-])=C(/C#N)C(=O)N[*:1]
Cc1ccc(C)c(OCc2ccc(C(=O)[O-])cc2)c1C O=C([O-])[*:1] Cc1ccc(C)c(OCc2ccc(cc2)[*:1])c1C
Cn1cc([C@@](C)(O)CNc2ccc3cc(C#N)ccc3n2)cn1 Cn1cc(cn1)[*:1] C[C@@](O)(CNc1ccc2cc(C#N)ccc2n1)[*:1]
CN(C(=O)C[C@@H]1SC(=O)N(c2ccccc2)C1=O)c1ccccc1C(=O)[O-] O=C([O-])[*:1] CN(C(=O)C[C@@H]1SC(=O)N(C1=O)c1ccccc1)c1ccccc1[*:1]
CN(C(=O)C[C@@H]1SC(=O)N(c2ccccc2)C1=O)c1ccccc1C(=O)[O-] c1ccc(cc1)[*:1] CN(C(=O)C[C@@H]1SC(=O)N(C1=O)[*:1])c1ccccc1C(=O)[O-]
CN(C(=O)C[C@@H]1SC(=O)N(c2ccccc2)C1=O)c1ccccc1C(=O)[O-] O=C([O-])c1ccccc1[*:1] CN(C(=O)C[C@@H]1SC(=O)N(C1=O)c1ccccc1)[*:1]
Cc1ccc(/C=C/C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)o1 Cc1ccc(o1)[*:1] CC(C)[C@H](NC(=O)C=C[*:1])C(=O)N1CCOCC1
Cc1ccc(/C=C/C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)o1 CC(C)[*:1] Cc1ccc(/C=C/C(=O)N[C@H](C(=O)N2CCOCC2)[*:1])o1
CC#CC[C@H]([NH3+])[C@H]1CSCCS1 CC#CC[*:1] [NH3+][C@H]([C@H]1CSCCS1)[*:1]
CC#CC[C@H]([NH3+])[C@H]1CSCCS1 CC#C[*:1] [NH3+][C@@H](C[*:1])[C@H]1CSCCS1
CCCNC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2C)c1 CCC[*:1] Cc1cc(Br)ccc1OCC(=O)Nc1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2C)c1 Cc1cc(Br)ccc1[*:1] CCCNC(=O)c1cccc(c1)NC(=O)CO[*:1]
CCCNC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2C)c1 CCCNC(=O)[*:1] Cc1cc(Br)ccc1OCC(=O)Nc1cccc(c1)[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Oc1ccccc1C(=O)[O-] O=C([O-])c1ccccc1[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)O[*:1]
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Oc1ccccc1C(=O)[O-] O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])Oc1ccccc1C(=O)[O-]
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Oc1ccccc1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)Oc1ccccc1[*:1]
CN(CCOCC1CC1)c1nc2ccccn2c1CCl C1CC1C[*:1] CN(CCO[*:1])c1nc2ccccn2c1CCl
CN(CCOCC1CC1)c1nc2ccccn2c1CCl C1CC1COC[*:1] CN(C[*:1])c1nc2ccccn2c1CCl
CN(CCOCC1CC1)c1nc2ccccn2c1CCl C1CC1CO[*:1] CN(CC[*:1])c1nc2ccccn2c1CCl
CN(CCOCC1CC1)c1nc2ccccn2c1CCl C1CC1[*:1] CN(CCOC[*:1])c1nc2ccccn2c1CCl
C[C@@H](C1CC1)N(C(=O)CSc1nc2c(cc1C#N)CCCC2)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)CSc1nc2CCCCc2cc1C#N)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)CSc1nc2c(cc1C#N)CCCC2)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)CSc1nc2CCCCc2cc1C#N)[*:1]
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC3=c4ccccc4=[NH+]C3)C(=O)N12)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] O=C1[C@@H](CC2C[NH+]=c3ccccc3=2)N=C2c3ccccc3N=C(SC[*:1])N12
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC3=c4ccccc4=[NH+]C3)C(=O)N12)NCc1ccccc1 O=C(C[*:1])NCc1ccccc1 O=C1[C@@H](CC2C[NH+]=c3ccccc3=2)N=C2c3ccccc3N=C(S[*:1])N12
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC3=c4ccccc4=[NH+]C3)C(=O)N12)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSC1=Nc2ccccc2C2=N[C@H](CC3C[NH+]=c4ccccc4=3)C(=O)N12)NC[*:1]
O=C(CSC1=Nc2ccccc2C2=N[C@H](CC3=c4ccccc4=[NH+]C3)C(=O)N12)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSC1=Nc2ccccc2C2=N[C@H](CC3C[NH+]=c4ccccc4=3)C(=O)N12)N[*:1]
NC(=O)c1cccc(OCCC(=O)N[C@@H]2CCCOc3ccccc32)c1 NC(=O)[*:1] O=C(CCOc1cccc(c1)[*:1])N[C@@H]1CCCOc2ccccc21
Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccccc4C(C)C)ncnc32)cc1 Cc1ccc(cc1)[*:1] CC(C)c1ccccc1NC(=O)CSc1ncnc2c1cnn2[*:1]
Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccccc4C(C)C)ncnc32)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1ncc2c(ncnc21)SCC(=O)Nc1ccccc1[*:1]
Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccccc4C(C)C)ncnc32)cc1 CC(C)c1ccccc1[*:1] Cc1ccc(cc1)-n1ncc2c(ncnc21)SCC(=O)N[*:1]
COCCN1C[C@@H](C(=O)NCc2cc(N(C)C)[nH+]c3ccccc23)CC1=O CN(C)[*:1] COCCN1C[C@H](CC1=O)C(=O)NCc1cc([nH+]c2ccccc12)[*:1]
COCCN1C[C@@H](C(=O)NCc2cc(N(C)C)[nH+]c3ccccc23)CC1=O COCC[*:1] CN(C)c1cc(CNC(=O)[C@H]2CC(=O)N(C2)[*:1])c2ccccc2[nH+]1
COCCN1C[C@@H](C(=O)NCc2cc(N(C)C)[nH+]c3ccccc23)CC1=O COC[*:1] CN(C)c1cc(CNC(=O)[C@H]2CC(=O)N(C2)C[*:1])c2ccccc2[nH+]1
CO[C@H](C)C(=O)N1CCN(Cc2nc(-c3ccccc3C)no2)CC1 Cc1ccccc1[*:1] CO[C@H](C)C(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](Sc1nnc2ccc(cn12)C(F)(F)F)C(=O)N[*:1]
C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)Nc1cccc(Cl)c1 FC(F)(F)[*:1] C[C@@H](Sc1nnc2ccc(cn12)[*:1])C(=O)Nc1cccc(Cl)c1
O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N[*:1]
O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCc1ccccn1 c1nnnn1[*:1] O=C(C[C@H](C[*:1])c1ccc(Cl)cc1)NCc1ccccn1
O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NC[*:1]
O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCc1ccccn1 c1nnnn1C[*:1] O=C(C[C@H](c1ccc(Cl)cc1)[*:1])NCc1ccccn1
O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCc1ccccn1 Clc1ccc(cc1)[*:1] O=C(C[C@H](Cn1cnnn1)[*:1])NCc1ccccn1
CCCN(CC[NH+](C)C)C(=O)c1cnn2c1nc([O-])c1ccccc12 CCC[*:1] C[NH+](C)CCN(C(=O)c1cnn2c1nc([O-])c1ccccc12)[*:1]
CC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1cccc(F)c1)CC2 Fc1cccc(c1)[*:1] CC(=O)Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1]
CC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1cccc(F)c1)CC2 CC(=O)N[*:1] O=S(=O)(c1cccc(F)c1)N1CCc2nc(sc2C1)[*:1]
COc1c(Cl)cc(C(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1Cl Clc1ccccc1C[*:1] COc1c(Cl)cc(cc1Cl)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
COc1c(Cl)cc(C(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1Cl Clc1ccccc1[*:1] COc1c(Cl)cc(cc1Cl)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1csc(-c2ccc(NC(=O)N[C@@H](C)c3ncc(C)s3)cc2)n1 Cc1csc(n1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1csc(-c2ccc(NC(=O)N[C@@H](C)c3ncc(C)s3)cc2)n1 Cc1cnc(s1)[*:1] Cc1csc(n1)-c1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
C[C@@H](/N=C1\SCCN1C(=O)c1ccc(NC(N)=O)cc1)c1ccccc1 NC(=O)N[*:1] C[C@@H](/N=C1\SCCN1C(=O)c1ccc(cc1)[*:1])c1ccccc1
C[C@@H](/N=C1\SCCN1C(=O)c1ccc(NC(N)=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](/N=C1\SCCN1C(=O)c1ccc(cc1)NC(N)=O)[*:1]
Fc1ccc2c(c1)CCN(c1cc(-n3ccnc3)ncn1)C2 c1cn(cn1)[*:1] Fc1ccc2CN(CCc2c1)c1cc(ncn1)[*:1]
O=C(/C=C/c1ccc2c(c1)OCCO2)OCc1cc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] O=C(/C=C/c1ccc2OCCOc2c1)OCc1cc(no1)[*:1]
CCCN(CC)[C@@](C)(C[NH3+])CC(C)C CCC[*:1] CCN([C@@](C)(C[NH3+])CC(C)C)[*:1]
CCCN(CC)[C@@](C)(C[NH3+])CC(C)C CC(C)C[*:1] CCCN(CC)[C@@](C)(C[NH3+])[*:1]
CCCN(CC)[C@@](C)(C[NH3+])CC(C)C CC(C)[*:1] CCCN(CC)[C@@](C)(C[NH3+])C[*:1]
O=C(C[C@@H](c1ccccc1)c1ccco1)N1CCC2(CCC(=O)N2OCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C[C@@H](c1ccco1)[*:1])N1CCC2(CCC(=O)N2OCc2ccccc2)CC1
O=C(C[C@@H](c1ccccc1)c1ccco1)N1CCC2(CCC(=O)N2OCc2ccccc2)CC1 c1coc(c1)[*:1] O=C(C[C@@H](c1ccccc1)[*:1])N1CCC2(CCC(=O)N2OCc2ccccc2)CC1
O=C(C[C@@H](c1ccccc1)c1ccco1)N1CCC2(CCC(=O)N2OCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C[C@@H](c1ccccc1)c1ccco1)N1CCC2(CCC(=O)N2OC[*:1])CC1
O=C(C[C@@H](c1ccccc1)c1ccco1)N1CCC2(CCC(=O)N2OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(C[C@@H](c1ccccc1)c1ccco1)N1CCC2(CCC(=O)N2O[*:1])CC1
COc1ccc(CC[C@@H]2CCCCN2c2cncc(C(N)=O)n2)cc1OC NC(=O)[*:1] COc1ccc(cc1OC)CC[C@@H]1CCCCN1c1cncc(n1)[*:1]
COc1ccc(CC[C@@H]2CCCCN2c2cncc(C(N)=O)n2)cc1OC NC(=O)c1cncc(n1)[*:1] COc1ccc(cc1OC)CC[C@@H]1CCCCN1[*:1]
CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
CCn1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1ccco1 Clc1ccc(c(Cl)c1)[*:1] CCn1c(nnc1-c1ccco1)SCC(=O)N[C@@H](C)[*:1]
Cc1ccc(NC(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1cc2CCC(=O)N3CCc(c1)c23)N[*:1]
CCOc1cccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)c1 CCO[*:1] Cc1sc(NC(=S)NC(=O)c2cccc(c2)[*:1])c(C#N)c1C
CCc1ccc(C(=O)/N=C(/NC[C@@H]2CCCO2)Nc2ccc3c(c2)OCO3)cc1 c1cc2OCOc2cc1[*:1] CCc1ccc(cc1)C(=O)/N=C(/NC[C@@H]1CCCO1)N[*:1]
CCc1ccc(C(=O)/N=C(/NC[C@@H]2CCCO2)Nc2ccc3c(c2)OCO3)cc1 CCc1ccc(cc1)[*:1] O=C(/N=C(/NC[C@@H]1CCCO1)Nc1ccc2OCOc2c1)[*:1]
COc1ccccc1NC(=O)/[NH+]=C1/N=N[C@@H](c2ccccc2C)S1 Cc1ccccc1[*:1] COc1ccccc1NC(=O)/[NH+]=C1/N=N[C@@H](S1)[*:1]
COc1ccccc1NC(=O)/[NH+]=C1/N=N[C@@H](c2ccccc2C)S1 COc1ccccc1[*:1] Cc1ccccc1[C@@H]1N=N/C(=[NH+]/C(=O)N[*:1])S1
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 Clc1ccc(cc1)[*:1] O=C(NN=C[*:1])c1ccc(cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O
O=C([C@@H]1CCOC2(CCOCC2)C1)[C@H]1COCCO1 C1CO[C@H](CO1)[*:1] O=C([C@@H]1CCOC2(CCOCC2)C1)[*:1]
C#CCN1CCN(CC(=O)N2CCN(CC#C)CC2)CC1 C#CC[*:1] C#CCN1CCN(CC1)CC(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(CC(=O)N2CCN(CC#C)CC2)CC1 C#CC[*:1] C#CCN1CCN(CC1)C(=O)CN1CCN(CC1)[*:1]
COc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(C)cc2)n1 Cc1ccc(cc1)C[*:1] COc1ccccc1NC(=O)c1ccc(=O)n(n1)[*:1]
COc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(C)cc2)n1 COc1ccccc1[*:1] Cc1ccc(cc1)Cn1nc(ccc1=O)C(=O)N[*:1]
COc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)c1ccc(=O)n(C[*:1])n1
CCC(=O)Nc1cc(C)nn1-c1cccc(Br)c1 CCC(=O)N[*:1] Cc1cc(n(n1)-c1cccc(Br)c1)[*:1]
Cc1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C#N Cc1nc(ccc1C#N)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
Cc1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C#N O=S(=O)(N1CCCCC1)[*:1] Cc1nc(ccc1C#N)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccccc1NC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] CC(C)c1ccccc1NC(=O)N[C@@H](C[*:1])c1ccccc1
CC(C)c1ccccc1NC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 CC(C)c1ccccc1[*:1] O=C(N[C@@H](CN1CCOCC1)c1ccccc1)N[*:1]
CC(C)c1ccccc1NC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)c1ccccc1NC(=O)N[C@@H](CN1CCOCC1)[*:1]
CC(C)c1ccccc1NC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 C1CN(CCO1)C[*:1] CC(C)c1ccccc1NC(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)c1ccccc1NC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 CC(C)[*:1] O=C(Nc1ccccc1[*:1])N[C@@H](CN1CCOCC1)c1ccccc1
Cc1c([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])[C@@H](C)[NH2+]CC1CCN(CC1)c1cc[nH+]cc1
O=C(Cc1ccccc1Cl)NCc1nn(C2CCCC2)c(=O)c2ccccc12 Clc1ccccc1[*:1] O=C(C[*:1])NCc1nn(c(=O)c2ccccc12)C1CCCC1
O=C(Cc1ccccc1Cl)NCc1nn(C2CCCC2)c(=O)c2ccccc12 Clc1ccccc1C[*:1] O=C(NCc1nn(c(=O)c2ccccc12)C1CCCC1)[*:1]
O=C(Cc1ccccc1Cl)NCc1nn(C2CCCC2)c(=O)c2ccccc12 C1CCC(C1)[*:1] O=C(Cc1ccccc1Cl)NCc1nn(c(=O)c2ccccc12)[*:1]
O=C(NCc1nc(C2CC2)no1)c1cc2c([nH]c1=O)CCC2 C1CC1[*:1] O=C(NCc1nc(no1)[*:1])c1cc2CCCc2[nH]c1=O
COc1ccc([C@H]2CCN(C(=O)NCc3cccc(OCC(F)F)n3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1cccc(n1)OCC(F)F)N1CC[C@@H](C1)[*:1]
COc1ccc([C@H]2CCN(C(=O)NCc3cccc(OCC(F)F)n3)C2)cc1 FC(F)C[*:1] COc1ccc(cc1)[C@H]1CCN(C1)C(=O)NCc1cccc(n1)O[*:1]
COc1ccc([C@H]2CCN(C(=O)NCc3cccc(OCC(F)F)n3)C2)cc1 FC(F)[*:1] COc1ccc(cc1)[C@H]1CCN(C1)C(=O)NCc1cccc(n1)OC[*:1]
COc1ccc([C@H]2CCN(C(=O)NCc3cccc(OCC(F)F)n3)C2)cc1 FC(F)CO[*:1] COc1ccc(cc1)[C@H]1CCN(C1)C(=O)NCc1cccc(n1)[*:1]
Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)NC(C)C)c1 Cc1ccc(C)c(c1)[*:1] CC(C)NC(=O)c1ccccc1NC(=O)C[*:1]
Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)NC(C)C)c1 CC(C)NC(=O)[*:1] Cc1ccc(C)c(c1)CC(=O)Nc1ccccc1[*:1]
Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)NC(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)CC(=O)Nc1ccccc1C(=O)N[*:1]
Cc1nc(COc2ccc([C@@H]3NC(=O)c4c(C)cccc4N3)cc2)no1 Cc1nc(CO[*:1])no1 Cc1cccc2N[C@@H](NC(=O)c12)c1ccc(cc1)[*:1]
Cc1nc(COc2ccc([C@@H]3NC(=O)c4c(C)cccc4N3)cc2)no1 Cc1nc(no1)[*:1] Cc1cccc2N[C@@H](NC(=O)c12)c1ccc(cc1)OC[*:1]
Cc1nc(COc2ccc([C@@H]3NC(=O)c4c(C)cccc4N3)cc2)no1 Cc1nc(C[*:1])no1 Cc1cccc2N[C@@H](NC(=O)c12)c1ccc(cc1)O[*:1]
COC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 COC(=O)[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N1CC[C@@H](c2ccccc21)[*:1]
COC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 O=[N+]([O-])[*:1] COC(=O)[C@H]1CCN(C(=O)c2ccc(cc2)[*:1])c2ccccc21
CC[C@H]1CN(C(=O)c2ccc(C(C)=O)s2)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@H]1CN(CCC(=O)N1[*:1])C(=O)c1ccc(s1)C(C)=O
CC[C@H]1CN(C(=O)c2ccc(C(C)=O)s2)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CCC(=O)N1C[*:1])C(=O)c1ccc(s1)C(C)=O
CC[C@H]1CN(C(=O)c2ccc(C(C)=O)s2)CCC(=O)N1Cc1ccccc1 CC(=O)c1ccc(s1)[*:1] CC[C@H]1CN(CCC(=O)N1Cc1ccccc1)C(=O)[*:1]
CC[C@H]1CN(C(=O)c2ccc(C(C)=O)s2)CCC(=O)N1Cc1ccccc1 CC(=O)[*:1] CC[C@H]1CN(CCC(=O)N1Cc1ccccc1)C(=O)c1ccc(s1)[*:1]
CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl CCS(=O)(=O)C[*:1] C[C@H](N[C@H](C)[*:1])c1ccc(Cl)c(Cl)c1Cl
CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl CCS(=O)(=O)[*:1] C[C@H](N[C@H](C)C[*:1])c1ccc(Cl)c(Cl)c1Cl
COc1ccc(C)cc1NC(=O)Cn1nc2c3ccccc3ncn2c1=O COc1ccc(C)cc1[*:1] O=C(Cn1nc2c3ccccc3ncn2c1=O)N[*:1]
Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](CO)C(C)C CC(C)[*:1] Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](CO)[*:1]
Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](CO)C(C)C CC(C)[C@H](CO)[*:1] Cc1c(Cl)cccc1S(=O)(=O)N[*:1]
Cc1ccc(NCC(=O)NNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cc1 Cc1ccc(cc1)N[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)NNC(=O)C[*:1]
Cc1ccc(NCC(=O)NNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)NNC(=O)CN[*:1]
COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1c(C)csc1=O Cc1csc(=O)n1C[*:1] COC(=O)c1cc(OC)c(cc1NC(=O)[*:1])OC
COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1c(C)csc1=O Cc1csc(=O)n1[*:1] COC(=O)c1cc(OC)c(cc1NC(=O)C[*:1])OC
COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1c(C)csc1=O COC(=O)[*:1] COc1cc(NC(=O)Cn2c(C)csc2=O)c(cc1OC)[*:1]
O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1ccc2nc(sc2c1)N1CCOCC1)c1ccc(=O)n(C[*:1])n1
O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(Nc1ccc2nc(sc2c1)N1CCOCC1)c1ccc(=O)n(n1)[*:1]
O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(=O)n(Cc2ccccc2)n1 C1CN(CCO1)[*:1] O=C(Nc1ccc2nc(sc2c1)[*:1])c1ccc(=O)n(Cc2ccccc2)n1
Cc1ccc(Cl)cc1Nc1ncnc(N2CCC(C)CC2)c1N CC1CCN(CC1)[*:1] Cc1ccc(Cl)cc1Nc1ncnc(c1N)[*:1]
COc1cccc(CNC(=O)COc2ccc3ccccc3c2)c1 COc1cccc(c1)[*:1] O=C(COc1ccc2ccccc2c1)NC[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cc(Cl)nc(Cl)c1 C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)c1cc(Cl)nc(Cl)c1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cc(Cl)nc(Cl)c1 C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)c1cc(Cl)nc(Cl)c1
CC(C)N(C[C@H]1CCCCO1)C(=O)c1cc(Cl)nc(Cl)c1 CC(C)[*:1] O=C(c1cc(Cl)nc(Cl)c1)N(C[C@H]1CCCCO1)[*:1]
CC[C@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 CC[C@H](Br)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
CC(C)C(=O)Nc1ccc(C(=O)N2CCc3noc(-c4ccccc4)c3C2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCc2noc(-c3ccccc3)c2C1
CC(C)C(=O)Nc1ccc(C(=O)N2CCc3noc(-c4ccccc4)c3C2)cc1 CC(C)C(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCc2noc(-c3ccccc3)c2C1
CC(C)C(=O)Nc1ccc(C(=O)N2CCc3noc(-c4ccccc4)c3C2)cc1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)N1CCc2noc(c2C1)[*:1]
C[C@@H]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[C@@H]2O)C1 O[C@H]1CCC[C@H]1[*:1] C[C@@H]1CCC[C@H](CNC(=O)NC[*:1])C1
Cc1ccc(F)c(O[C@H]2CC[C@]([NH2+]C(C)C)(C(=O)[O-])C2)c1 O=C([O-])[*:1] Cc1ccc(F)c(c1)O[C@H]1CC[C@@](C1)([NH2+]C(C)C)[*:1]
Cc1ccc(F)c(O[C@H]2CC[C@]([NH2+]C(C)C)(C(=O)[O-])C2)c1 CC(C)[*:1] Cc1ccc(F)c(c1)O[C@H]1CC[C@](C1)([NH2+][*:1])C(=O)[O-]
O=C(c1cnc2nc([O-])[nH]c(=O)c2c1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cnc2nc([O-])[nH]c(=O)c2c1)N1CCC(CC1)OC[*:1]
O=C(c1cnc2nc([O-])[nH]c(=O)c2c1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(c1cnc2nc([O-])[nH]c(=O)c2c1)N1CCC(CC1)O[*:1]
O=C(c1cnc2nc([O-])[nH]c(=O)c2c1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C(c1cnc2nc([O-])[nH]c(=O)c2c1)N1CCC(CC1)[*:1]
CC(=O)N[C@@H]1Nc2cc(NC(=O)[C@@H]3N=NC4=C3CCCC4)ccc2S1 CC(=O)N[*:1] O=C(Nc1ccc2S[C@@H](Nc2c1)[*:1])[C@@H]1N=NC2CCCCC=21
CCCc1cc(NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)n(C)n1 CCC[*:1] C[C@@H](NC(=O)Nc1cc(nn1C)[*:1])c1ccc2OCOc2c1
C1CC[NH+](CC[NH2+][C@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 C1CC[NH+](CC1)[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@@H]1[NH2+]CC[*:1]
C1CC[NH+](CC[NH2+][C@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 C1CC[C@H]([NH2+]C1)[*:1] C1CC[NH+](CC1)CC[NH2+][C@H]1CCC[C@@H]1[*:1]
Fc1c([C@@H](Br)Cc2ccccn2)cccc1C(F)(F)F FC(F)(F)[*:1] Fc1c(cccc1[*:1])[C@@H](Br)Cc1ccccn1
Fc1c([C@@H](Br)Cc2ccccn2)cccc1C(F)(F)F c1ccc(nc1)[*:1] Fc1c(cccc1C(F)(F)F)[C@@H](Br)C[*:1]
CCNC(=O)C[NH+](CC)Cc1cn2cc(C)ccc2[nH+]1 CCNC(=O)C[*:1] CC[NH+](Cc1cn2cc(C)ccc2[nH+]1)[*:1]
CCNC(=O)C[NH+](CC)Cc1cn2cc(C)ccc2[nH+]1 CCNC(=O)[*:1] CC[NH+](Cc1cn2cc(C)ccc2[nH+]1)C[*:1]
O=C(Cc1ccc(CNC(=O)c2cnc3c(c2)NC(=O)CO3)cc1)Nc1ccccc1F Fc1ccccc1[*:1] O=C1COc2ncc(cc2N1)C(=O)NCc1ccc(cc1)CC(=O)N[*:1]
O=C(Cc1ccc(CNC(=O)c2cnc3c(c2)NC(=O)CO3)cc1)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] O=C1COc2ncc(cc2N1)C(=O)NCc1ccc(cc1)C[*:1]
O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Nc1cccc(Cl)c1 c1cncc(c1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1cccc(Cl)c1
O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Nc1cccc(Cl)c1 Clc1cccc(c1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cccnc1
O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Nc1cccc(Cl)c1 O=[N+]([O-])[*:1] Clc1cccc(c1)Nc1ncnc(Nc2cccnc2)c1[*:1]
O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1cccnc1
O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Nc1cccc(Cl)c1 c1cncc(c1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1cccc(Cl)c1
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccc2)cc1 O=C(c1ccc(Cl)cc1)[*:1] COc1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1c1ccccc1)[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1[*:1])c1ccc(Cl)cc1
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1ccccc1
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1[*:1]
COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4CC(C)=CC[C@H]4C3=O)cc2)c1 COc1ccc(OC)c(c1)[*:1] CC1=CC[C@H]2C(=O)N(C(=O)[C@H]2C1)c1ccc(cc1)C(=O)N[*:1]
CCNS(=O)(=O)c1ccc(OCC)c(-c2nc(CC)no2)c1 CCNS(=O)(=O)[*:1] CCOc1ccc(cc1-c1nc(CC)no1)[*:1]
CCNS(=O)(=O)c1ccc(OCC)c(-c2nc(CC)no2)c1 CCc1noc(n1)[*:1] CCNS(=O)(=O)c1ccc(OCC)c(c1)[*:1]
CCNS(=O)(=O)c1ccc(OCC)c(-c2nc(CC)no2)c1 CCO[*:1] CCNS(=O)(=O)c1ccc(c(c1)-c1nc(CC)no1)[*:1]
CC(C)(C)c1ccc(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 CC(C)(C)[*:1] O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1ccc(cc1)[*:1]
Cc1cccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)NC4CCCCC4)cc3)n2)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)NC(=O)N(C)CCc1noc(n1)-c1ccc(cc1)C(=O)N[*:1]
Cc1cccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)NC4CCCCC4)cc3)n2)c1 Cc1cccc(c1)[*:1] CN(CCc1noc(n1)-c1ccc(cc1)C(=O)NC1CCCCC1)C(=O)N[*:1]
Cc1cccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)NC4CCCCC4)cc3)n2)c1 O=C(NC1CCCCC1)[*:1] Cc1cccc(c1)NC(=O)N(C)CCc1noc(n1)-c1ccc(cc1)[*:1]
CCCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O CCCC[*:1] CC(C)c1ccc(cc1)NC(=O)CN1C(=O)N[C@@H](C1=O)[*:1]
CCCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O CC(C)[*:1] CCCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O
CCCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O CCC[*:1] CC(C)c1ccc(cc1)NC(=O)CN1C(=O)N[C@H](C[*:1])C1=O
COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc(OC)c1OC(C)=O CC(=O)O[*:1] COc1cc(/C=C2/N=C(OC2=O)c2ccccc2Cl)cc(OC)c1[*:1]
COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc(OC)c1OC(C)=O Clc1ccccc1[*:1] COc1cc(/C=C2/N=C(OC2=O)[*:1])cc(OC)c1OC(C)=O
COc1ccccc1NCC(=O)Nc1ccc(OC)c2ncccc12 COc1ccccc1[*:1] COc1ccc(NC(=O)CN[*:1])c2cccnc12
Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 Clc1cccc(c1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=S(=O)(N1CCN(CC1)c1cccc(Cl)c1)[*:1]
CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 O[C@@H](C[*:1])c1ccccc1 CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1[*:1]
CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1C[C@H](O)[*:1]
CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCO[C@H]1[*:1])N1CCC[C@@H]1C[C@H](O)c1ccccc1
CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1C[*:1]
N#CCCn1cc(C(=O)CSc2cccc3cccnc23)c2ccccc21 N#CC[*:1] O=C(CSc1cccc2cccnc12)c1cn(C[*:1])c2ccccc12
N#CCCn1cc(C(=O)CSc2cccc3cccnc23)c2ccccc21 N#CCC[*:1] O=C(CSc1cccc2cccnc12)c1cn(c2ccccc12)[*:1]
Cc1ccc(CNc2ccc(-n3nc(C)cc3C)nn2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNc2ccc(nn2)-n2nc(C)cc2C)c(c1)[*:1]
Cc1ccc(CNc2ccc(-n3nc(C)cc3C)nn2)c(N(C)C)c1 Cc1cc(C)n(n1)[*:1] Cc1ccc(CNc2ccc(nn2)[*:1])c(c1)N(C)C
N#CCSc1cccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 c1c[nH]c(n1)[*:1] N#CCSc1cccc(c1)C(=O)N1CCCC[C@@H]1[*:1]
N#CCSc1cccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 N#CC[*:1] O=C(c1cccc(c1)S[*:1])N1CCCC[C@H]1c1ncc[nH]1
N#CCSc1cccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 N#CCS[*:1] O=C(c1cccc(c1)[*:1])N1CCCC[C@H]1c1ncc[nH]1
CC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C CC[C@H](C)[*:1] Cc1ccc(cc1NC(=O)[*:1])[N+](=O)[O-]
CC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CC[C@H](C)C(=O)Nc1cc(ccc1C)[*:1]
CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 Fc1ccc(cc1)CS[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1nnc(s1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 CC(C)O[*:1] O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 Fc1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1nnc(SC[*:1])s1
CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 Fc1ccc(cc1)C[*:1] CC(C)Oc1ccc(cc1)C(=O)Nc1nnc(S[*:1])s1
CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 CC(C)[*:1] O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(cc1)O[*:1]
Oc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 Oc1ccccc1[*:1] c1ccc(cc1)-c1ccc(cc1)CN1CCN(CC1)[*:1]
Oc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] Oc1ccccc1N1CCN(CC1)Cc1ccc(cc1)[*:1]
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCC2 O=[N+]([O-])[*:1] NC(=O)c1c(NC(=O)c2ccc(cc2Cl)[*:1])sc2CCCCCc21
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCC2 NC(=O)[*:1] O=C(Nc1sc2CCCCCc2c1[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
Cc1ccc(N(Cc2ccco2)C(=O)CN2CCS(=O)(=O)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCS(=O)(=O)CC1)N(Cc1ccco1)[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)CN2CCS(=O)(=O)CC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N(C[*:1])C(=O)CN1CCS(=O)(=O)CC1
Cc1ccc(N(Cc2ccco2)C(=O)CN2CCS(=O)(=O)CC2)cc1 O=S1(=O)CCN(CC1)[*:1] Cc1ccc(cc1)N(Cc1ccco1)C(=O)C[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)CN2CCS(=O)(=O)CC2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)N(C(=O)CN1CCS(=O)(=O)CC1)[*:1]
NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 NC(=O)[*:1] O=S(=O)(c1ccc(c(c1)[*:1])N1CCCC1)N1CCOCC1
NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 C1CCN(C1)[*:1] NC(=O)c1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1
CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(C)cc1)S(C)(=O)=O Cc1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1ccc2OCOc2c1)N(S(C)(=O)=O)[*:1]
CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(C)cc1)S(C)(=O)=O c1cc2OCOc2cc1[*:1] CC[C@H](C(=O)N[*:1])N(c1ccc(C)cc1)S(C)(=O)=O
C[C@H](OC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(=O)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] C[C@H](OC(=O)c1sccc1S(=O)(=O)N1CCCC1)[*:1]
C[C@H](OC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(=O)c1ccc(Cl)cc1 O=S(=O)(N1CCCC1)[*:1] C[C@H](OC(=O)c1sccc1[*:1])C(=O)c1ccc(Cl)cc1
C[C@H](OC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](OC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(=O)[*:1]
CC1(C)O[C@@H]2CC(=O)OC[C@@]23[C@@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 c1cc(co1)[*:1] CC1(C)O[C@@H]2CC(=O)OC[C@@]23[C@@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@]321)[*:1]
CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCc1ccno1)CO2 c1cc(C[*:1])on1 CN(C)C(=O)c1ccc2OC[C@H](CC(=O)N[*:1])N(C)c2c1
CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCc1ccno1)CO2 CN(C)C(=O)[*:1] CN1c2cc(ccc2OC[C@@H]1CC(=O)NCc1ccno1)[*:1]
CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCc1ccno1)CO2 c1cc(on1)[*:1] CN(C)C(=O)c1ccc2OC[C@H](CC(=O)NC[*:1])N(C)c2c1
O=C(NCc1ncc[nH]1)Nc1cc(N2CCCS2(=O)=O)ccc1F c1c[nH]c(n1)[*:1] O=C(NC[*:1])Nc1cc(ccc1F)N1CCCS1(=O)=O
O=C(NCc1ncc[nH]1)Nc1cc(N2CCCS2(=O)=O)ccc1F c1c[nH]c(C[*:1])n1 O=C(Nc1cc(ccc1F)N1CCCS1(=O)=O)N[*:1]
O=C(NCc1ncc[nH]1)Nc1cc(N2CCCS2(=O)=O)ccc1F O=S1(=O)CCCN1[*:1] O=C(NCc1ncc[nH]1)Nc1cc(ccc1F)[*:1]
C[C@H]1Cc2cc(C(=O)[C@H](Br)CC(=O)[O-])ccc2O1 O=C([O-])C[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)[C@H](Br)[*:1]
C[C@H]1Cc2cc(C(=O)[C@H](Br)CC(=O)[O-])ccc2O1 O=C([O-])[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)[C@H](Br)C[*:1]
CCS(=O)(=O)CC(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 CCS(=O)(=O)[*:1] CC(C)(C)[C@H](O)CN1CCN(CC1)C(=O)C[*:1]
CCS(=O)(=O)CC(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 CC(C)(C)[C@H](O)C[*:1] CCS(=O)(=O)CC(=O)N1CCN(CC1)[*:1]
CCS(=O)(=O)CC(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 CCS(=O)(=O)C[*:1] CC(C)(C)[C@H](O)CN1CCN(CC1)C(=O)[*:1]
CCS(=O)(=O)CC(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 CC(C)(C)[C@H](O)[*:1] CCS(=O)(=O)CC(=O)N1CCN(CC1)C[*:1]
CCS(=O)(=O)CC(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 CC(C)(C)[*:1] CCS(=O)(=O)CC(=O)N1CCN(CC1)C[C@@H](O)[*:1]
Cc1nc(CN(C)C[C@@H]2CCCO2)sc1C C1CO[C@@H](C1)[*:1] Cc1nc(CN(C)C[*:1])sc1C
Fc1ccc([C@@H](CBr)Cc2cccs2)cc1 c1csc(c1)[*:1] Fc1ccc(cc1)[C@@H](CBr)C[*:1]
C[C@H](S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 c1ccc(cc1)[*:1] C[C@H](S[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1[*:1])C(=O)Nc1ccc(cc1)C(N)=O
C[C@H](S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)c1ccc(cc1)[*:1] C[C@H](S[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1c1ccccc1)C(=O)N[*:1]
C[C@H](S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@H](S[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1c1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2ccc(C)cc2)NC(=O)N1 Cc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)Nc1cc(Cl)ccc1C)[*:1]
CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2ccc(C)cc2)NC(=O)N1 Cc1ccc(Cl)cc1[*:1] CC1NC(=O)N[C@@H](C=1C(=O)N[*:1])c1ccc(C)cc1
CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@@H]1[*:1])C(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)C
CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC[C@H]1c1ccccc1 CC(C)(C)[*:1] CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCNC(=O)NC(=O)C[NH+]1CCc2nn(C)c(=O)cc2C1 CCC[*:1] Cn1nc2CC[NH+](CC(=O)NC(=O)N[*:1])Cc2cc1=O
CC(C)[C@H]1CN(C(=O)CCc2cnn(C)c2)c2ccccc2N1 Cn1cc(cn1)C[*:1] CC(C)[C@H]1CN(C(=O)C[*:1])c2ccccc2N1
CC(C)[C@H]1CN(C(=O)CCc2cnn(C)c2)c2ccccc2N1 CC(C)[*:1] Cn1cc(cn1)CCC(=O)N1C[C@@H](Nc2ccccc21)[*:1]
CC(C)[C@H]1CN(C(=O)CCc2cnn(C)c2)c2ccccc2N1 Cn1cc(cn1)[*:1] CC(C)[C@H]1CN(C(=O)CC[*:1])c2ccccc2N1
COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 C[C@H]1C[C@@H](CC(C)(C)C1)[*:1] COc1ccccc1N1CC[NH+](CC1)C[C@@H](O)CO[*:1]
COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 COc1ccccc1[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)OC[C@H](O)C[NH+]1CCN(CC1)[*:1]
O=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)c1scc2c1OCCO2 C1CCC(CC1)[*:1] O=C(N[C@H]1CC(=O)N(C1)C[*:1])c1scc2OCCOc21
O=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)c1scc2c1OCCO2 C1CCC(CC1)C[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])c1scc2OCCOc21
CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1O N#Cc1ccc(cc1)[*:1] CCOc1cc(/C=C(\C#N)c2nc(cs2)[*:1])ccc1O
CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1O CCO[*:1] N#C/C(=C\c1ccc(O)c(c1)[*:1])c1nc(cs1)-c1ccc(C#N)cc1
CCN(CC)S(=O)(=O)c1ccc(NC(=O)NCc2ccnn2C)cc1 Cn1nccc1C[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)N[*:1]
CCN(CC)S(=O)(=O)c1ccc(NC(=O)NCc2ccnn2C)cc1 CCN(CC)S(=O)(=O)[*:1] Cn1nccc1CNC(=O)Nc1ccc(cc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(NC(=O)NCc2ccnn2C)cc1 Cn1nccc1[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)NC[*:1]
COC(=O)[C@H](CO)NC(=O)c1ccc(CCl)cc1 COC(=O)[*:1] O=C(N[C@@H](CO)[*:1])c1ccc(cc1)CCl
CN1CCN(CC(=O)Nc2cccnc2)c2ccc(F)cc21 c1cncc(c1)[*:1] CN1CCN(CC(=O)N[*:1])c2ccc(F)cc21
O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(NCCn1nc(ccc1=O)-c1ccco1)c1ccc(cc1)[*:1]
O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 c1coc(c1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
CCOCc1ccccc1NC(=O)N1CCN(c2cc(C)[nH+]c(C)n2)CC1 CCO[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)Nc1ccccc1C[*:1]
CCOCc1ccccc1NC(=O)N1CCN(c2cc(C)[nH+]c(C)n2)CC1 CCOC[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C(=O)Nc1ccccc1[*:1]
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 Clc1ccc(Cl)c(n1)[*:1] N#C[C@@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 c1ccc(cc1)[*:1] N#C[C@@H](N1CCN(CC1)C(=O)c1nc(Cl)ccc1Cl)[*:1]
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@@H]1[*:1]
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccc(Cl)cc1 C(=C[*:1])c1ccco1 CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(Cl)cc1
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccc(Cl)cc1 c1coc(c1)[*:1] CCN1C(=O)C([O-])=C(C(=O)C=C[*:1])[C@H]1c1ccc(Cl)cc1
CC(C)N(C(=O)[C@@H]1CCC(=O)N1)C1CCC1 CC(C)[*:1] O=C1CC[C@H](N1)C(=O)N(C1CCC1)[*:1]
CC(C)N(C(=O)[C@@H]1CCC(=O)N1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)[C@@H]1CCC(=O)N1)[*:1]
Cc1ccc(CN2C[C@@H](C(=O)NCC(=O)NC3CC3)CC2=O)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)NC[*:1]
Cc1ccc(CN2C[C@@H](C(=O)NCC(=O)NC3CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CNC(=O)[C@H]1CC(=O)N(C1)C[*:1])NC1CC1
Cc1ccc(CN2C[C@@H](C(=O)NCC(=O)NC3CC3)CC2=O)cc1 C1CC1[*:1] Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)NCC(=O)N[*:1]
Cc1ccc(CN2C[C@@H](C(=O)NCC(=O)NC3CC3)CC2=O)cc1 O=C(C[*:1])NC1CC1 Cc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)N[*:1]
Cc1ccc(CN2C[C@@H](C(=O)NCC(=O)NC3CC3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(CNC(=O)[C@H]1CC(=O)N(C1)[*:1])NC1CC1
CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@@H]([NH2+]Cc1ccc(cc1)NC(C)=O)[*:1]
CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 CC(=O)N[*:1] CC[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc(Cl)cc1
CC(C)(C)[C@H](Cn1cccn1)NC(=O)CCl O=C(CCl)N[*:1] CC(C)(C)[C@H](Cn1cccn1)[*:1]
CC(C)(C)[C@H](Cn1cccn1)NC(=O)CCl CC(C)(C)[*:1] O=C(CCl)N[C@@H](Cn1cccn1)[*:1]
CC(C)(C)[C@H](Cn1cccn1)NC(=O)CCl c1cnn(c1)[*:1] CC(C)(C)[C@H](C[*:1])NC(=O)CCl
O=C(Cc1ccccc1)NCC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 c1ccc(cc1)C[*:1] O=C(CNC(=O)[*:1])N[C@@H]1C[C@@H]1c1cccc(Cl)c1
O=C(Cc1ccccc1)NCC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cc1ccccc1)NCC(=O)N[C@@H]1C[C@H]1[*:1]
O=C(Cc1ccccc1)NCC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(C[*:1])NCC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1
CCN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)COCO2 Cn1cc(cn1)[*:1] CCN(C[*:1])C(=O)c1ccc2OCOCc2c1
CCN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)COCO2 Cn1cc(cn1)C[*:1] CCN(C(=O)c1ccc2OCOCc2c1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)Nc1ccc(cc1)NC(=O)C1CC1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 C[C@H](c1ccccc1)[*:1] CN(C(=O)Nc1ccc(cc1)NC(=O)C1CC1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1[C@H]1C=NN=C1[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 c1ccc(cc1)CCC[*:1] Cc1ccccc1[C@H]1C=NN=C1[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccccc1[C@H]1C=NN=C1[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 Cc1ccccc1[*:1] O=C(CCCc1ccccc1)N1CCC[C@@H](C1)C1=NN=C[C@@H]1[*:1]
Cc1ccccc1[C@H]1C=NN=C1[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccccc1[C@H]1C=NN=C1[C@H]1CCCN(C1)C(=O)CCC[*:1]
Cc1ccccc1[C@H]1C=NN=C1[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 c1ccc(cc1)CC[*:1] Cc1ccccc1[C@H]1C=NN=C1[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccccc1[C@H]1C=NN=C1[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 c1ccc(cc1)C[*:1] Cc1ccccc1[C@H]1C=NN=C1[C@H]1CCCN(C1)C(=O)CC[*:1]
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(Cn2cc(Br)cn2)o1 Brc1cnn(c1)C[*:1] O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(o1)[*:1]
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(Cn2cc(Br)cn2)o1 Brc1cnn(c1)[*:1] O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(C[*:1])o1
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(Cn2cc(Br)cn2)o1 Clc1cccc(Cl)c1[*:1] O=C(NN=C[*:1])c1ccc(Cn2cc(Br)cn2)o1
Cc1ccccc1-n1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nc2ccccc2c1=O N#CC[*:1] Cc1ccccc1-n1c(nc2ccccc2c1=O)SCC(=O)N(C[*:1])c1ccc(F)cc1
Cc1ccccc1-n1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nc2ccccc2c1=O Cc1ccccc1[*:1] N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1[*:1])c1ccc(F)cc1
Cc1ccccc1-n1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nc2ccccc2c1=O Fc1ccc(cc1)[*:1] Cc1ccccc1-n1c(nc2ccccc2c1=O)SCC(=O)N(CCC#N)[*:1]
Cc1ccccc1-n1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nc2ccccc2c1=O N#CCC[*:1] Cc1ccccc1-n1c(nc2ccccc2c1=O)SCC(=O)N(c1ccc(F)cc1)[*:1]
O=C(Oc1cccc(F)c1)c1cc2ccccc2oc1=O Fc1cccc(c1)[*:1] O=C(O[*:1])c1cc2ccccc2oc1=O
CC(C)(C)c1n[nH]c2c1CC[C@@H](C(=O)[O-])C2 O=C([O-])[*:1] CC(C)(C)c1n[nH]c2C[C@H](CCc12)[*:1]
CC(C)(C)c1n[nH]c2c1CC[C@@H](C(=O)[O-])C2 CC(C)(C)[*:1] O=C([O-])[C@@H]1CCc2c(n[nH]c2C1)[*:1]
COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1 COC(=O)[*:1] COc1ccc(cc1OC)[C@@H]1C(C#N)=C(N)N2C(=O)[C@@H](C)SC2=C1[*:1]
CC(C)[C@@H](NC(=O)c1cccc(C#N)c1)c1nc2ccccc2[nH]1 CC(C)[*:1] N#Cc1cccc(c1)C(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)[C@@H](NC(=O)c1cccc(C#N)c1)c1nc2ccccc2[nH]1 N#Cc1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])c1nc2ccccc2[nH]1
CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1C1=Cc2ccccc2OC1 CCOC(=O)[*:1] O=c1oc2ccccc2c2O[C@@H]([C@@H](C3=Cc4ccccc4OC3)c21)[*:1]
O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1C=C(c2ccc(Cl)cc2)CC1 O=[N+]([O-])[*:1] O=C(Cn1cnc(n1)[*:1])O[C@H]1C=C(CC1)c1ccc(Cl)cc1
O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1C=C(c2ccc(Cl)cc2)CC1 O=[N+]([O-])c1ncn(n1)[*:1] O=C(C[*:1])O[C@H]1C=C(CC1)c1ccc(Cl)cc1
O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1C=C(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Cn1cnc(n1)[N+](=O)[O-])O[C@H]1C=C(CC1)[*:1]
O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1cccc(c1)[*:1]
O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1cccc(CN2CCCC2=O)c1 C1CCC(CC1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1cccc(c1)CN1CCCC1=O
O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1cccc(c1)C[*:1]
O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1cccc(CN2CCCC2=O)c1 c1ccc(cc1)[*:1] O=C(N[C@@H](C1CCCCC1)[*:1])c1cccc(c1)CN1CCCC1=O
Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)/C=C/c1ccco1 C(=C[*:1])c1ccco1 Cc1cc2nn(nc2cc1NC(=S)NC(=O)[*:1])-c1cccc2ccccc12
Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)/C=C/c1ccco1 c1coc(c1)[*:1] Cc1cc2nn(nc2cc1NC(=S)NC(=O)C=C[*:1])-c1cccc2ccccc12
Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)/C=C/c1ccco1 c1ccc2c(cccc2c1)[*:1] Cc1cc2nn(nc2cc1NC(=S)NC(=O)/C=C/c1ccco1)[*:1]
COC[C@H](O)CNC(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 COC[C@H](O)C[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccc(F)cc1)N[*:1]
COC[C@H](O)CNC(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC[C@H](O)CNC(=O)N[C@H]1CCC[C@H]1[*:1]
COC[C@H](O)CNC(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 COC[C@H](O)[*:1] O=C(NC[*:1])N[C@H]1CCC[C@@H]1c1ccc(F)cc1
COC[C@H](O)CNC(=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 COC[*:1] O=C(NC[C@@H](O)[*:1])N[C@H]1CCC[C@@H]1c1ccc(F)cc1
CCc1nnc(NC(=O)c2ccccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 CCc1nnc(s1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N[*:1]
CCc1nnc(NC(=O)c2ccccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] CCc1nnc(NC(=O)c2ccccc2NC(=O)c2ccc(C)c(c2)[*:1])s1
Cc1ccccc1NC(=O)N1CCC(Oc2c(C)cccc2C)CC1 Cc1cccc(C)c1[*:1] Cc1ccccc1NC(=O)N1CCC(CC1)O[*:1]
Cc1ccccc1NC(=O)N1CCC(Oc2c(C)cccc2C)CC1 Cc1ccccc1[*:1] Cc1cccc(C)c1OC1CCN(CC1)C(=O)N[*:1]
Cc1cc(C)n2cc(CN3CCN(c4cccc(Cl)c4)CC3)nc2n1 Clc1cccc(c1)[*:1] Cc1cc(C)n2cc(CN3CCN(CC3)[*:1])nc2n1
COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)CN(C)S(=O)(=O)[*:1]
COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1 COc1cccc(c1)[*:1] CN(CC(=O)NC[*:1])S(=O)(=O)c1ccc(F)cc1
COc1ccc(/C=N/NC(=O)c2cc(C)nn2C)c(C(=O)[O-])c1OC O=C([O-])[*:1] COc1ccc(/C=N/NC(=O)c2cc(C)nn2C)c(c1OC)[*:1]
COc1ccc(/C=N/NC(=O)c2cc(C)nn2C)c(C(=O)[O-])c1OC Cc1cc(n(C)n1)[*:1] COc1ccc(/C=N/NC(=O)[*:1])c(C(=O)[O-])c1OC
CN(CC(C)(C)O)C(=O)CCn1ccnn1 CC(C)(O)C[*:1] CN(C(=O)CCn1ccnn1)[*:1]
CN(CC(C)(C)O)C(=O)CCn1ccnn1 CC(C)(O)[*:1] CN(C[*:1])C(=O)CCn1ccnn1
CN(CC(C)(C)O)C(=O)CCn1ccnn1 c1cn(nn1)[*:1] CN(CC(C)(C)O)C(=O)CC[*:1]
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)Nc1ccc(Cl)c(Cl)c1 O=[N+]([O-])[*:1] O=C(Cn1ncc2cc(ccc21)[*:1])Nc1ccc(Cl)c(Cl)c1
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(Cn1ncc2cc(ccc21)[N+](=O)[O-])N[*:1]
COC(=O)c1c(C(=O)OC)c(-c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)n2c1CCC2 c1cc2OCCOc2cc1[*:1] COC(=O)c1c(C(=O)OC)c(-c2ccc(cc2)NC(=O)[*:1])n2CCCc12
COC(=O)c1c(C(=O)OC)c(-c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)n2c1CCC2 COC(=O)[*:1] COC(=O)c1c(c(-c2ccc(cc2)NC(=O)c2ccc3OCCOc3c2)n2CCCc12)[*:1]
COC(=O)c1c(C(=O)OC)c(-c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)n2c1CCC2 COC(=O)[*:1] COC(=O)c1c(c2CCCn2c1-c1ccc(cc1)NC(=O)c1ccc2OCCOc2c1)[*:1]
O=S(=O)(CC1CCC1)[N-]c1cccc(-c2cn[nH]c2)c1 C1CC(C1)C[*:1] O=S(=O)([N-]c1cccc(c1)-c1cn[nH]c1)[*:1]
O=S(=O)(CC1CCC1)[N-]c1cccc(-c2cn[nH]c2)c1 c1n[nH]cc1[*:1] O=S(=O)(CC1CCC1)[N-]c1cccc(c1)[*:1]
O=S(=O)(CC1CCC1)[N-]c1cccc(-c2cn[nH]c2)c1 C1CC(C1)[*:1] O=S(=O)(C[*:1])[N-]c1cccc(c1)-c1cn[nH]c1
CCC[NH2+][C@H](c1cccc(Cl)c1F)[C@H](C)CC CCC[*:1] CC[C@@H](C)[C@H]([NH2+][*:1])c1cccc(Cl)c1F
CCC[NH2+][C@H](c1cccc(Cl)c1F)[C@H](C)CC CC[C@@H](C)[*:1] CCC[NH2+][C@H](c1cccc(Cl)c1F)[*:1]
Cc1ccccc1CN(C)C(=O)[C@@H](C)Oc1cccnc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1CN(C)C(=O)[C@@H](C)Oc1cccnc1[*:1]
Cc1ccccc1CN(C)C(=O)[C@@H](C)Oc1cccnc1[N+](=O)[O-] Cc1ccccc1[*:1] C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(C)C[*:1]
Cc1ccccc1CN(C)C(=O)[C@@H](C)Oc1cccnc1[N+](=O)[O-] Cc1ccccc1C[*:1] C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N(C)[*:1]
CCc1nc(CN(C)[C@H](C)c2nc(-c3cccnc3)no2)cs1 CCc1nc(cs1)[*:1] C[C@H](c1nc(no1)-c1cccnc1)N(C)C[*:1]
CCc1nc(CN(C)[C@H](C)c2nc(-c3cccnc3)no2)cs1 c1cncc(c1)[*:1] CCc1nc(cs1)CN(C)[C@H](C)c1nc(no1)[*:1]
CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCC1(O)CCCCC1 OC1(CCCCC1)C[*:1] CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N[*:1]
CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCC1(O)CCCCC1 Clc1ccc(cc1)[*:1] CO[C@@H]([C@H](C)NC(=O)NCC1(O)CCCCC1)[*:1]
CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NCC1(O)CCCCC1 OC1(CCCCC1)[*:1] CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NC[*:1]
CC[C@@H]1CCC[C@@](C#N)([C@](C)(O)Cc2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@@H]1CCC[C@](C#N)(C1)[C@](C)(O)C[*:1]
COc1cccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 COc1cccc(c1)[*:1] O=C(c1cc2ccccc2o1)N1CCN(CC1)[*:1]
CC[C@@H](NC[C@H]1CCCCC[C@@H]1[NH3+])c1nccs1 c1csc(n1)[*:1] CC[C@@H](NC[C@H]1CCCCC[C@@H]1[NH3+])[*:1]
CC(Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C1C(=O)N(C)C(=O)N(C)C1=O c1ccc(cc1)[*:1] CC(Nc1c(C)n(C)n(c1=O)[*:1])=C1C(=O)N(C)C(=O)N(C)C1=O
CCn1ncc(NC(=O)c2cccc(OC)c2)c(N2CCCCC2)c1=O COc1cccc(c1)[*:1] CCn1ncc(NC(=O)[*:1])c(c1=O)N1CCCCC1
CCn1ncc(NC(=O)c2cccc(OC)c2)c(N2CCCCC2)c1=O C1CCN(CC1)[*:1] CCn1ncc(NC(=O)c2cccc(c2)OC)c(c1=O)[*:1]
Cc1ccsc1C(=O)NNC(=O)NCC1([NH+](C)C)CCOCC1 Cc1ccsc1[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)NNC(=O)[*:1]
O=C(c1ccc(OCC(F)F)nc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 FC(F)C[*:1] O=C(c1ccc(nc1)O[*:1])N1CC[C@@H](C1)Oc1cc[nH+]cc1
O=C(c1ccc(OCC(F)F)nc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 FC(F)[*:1] O=C(c1ccc(nc1)OC[*:1])N1CC[C@@H](C1)Oc1cc[nH+]cc1
O=C(c1ccc(OCC(F)F)nc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 FC(F)CO[*:1] O=C(c1ccc(nc1)[*:1])N1CC[C@@H](C1)Oc1cc[nH+]cc1
CCC[NH2+][C@H](C)C[C@@H](C)Cc1nc2ccccc2n1C CCC[*:1] C[C@@H](Cc1nc2ccccc2n1C)C[C@@H](C)[NH2+][*:1]
CCC[C@H](C)C(=O)NC[C@@H](C)[NH+](C)C CCC[*:1] C[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[*:1]
CNC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccnc2)c1C c1cncc(c1)[*:1] CNC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)C[*:1])c1C
CNC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccnc2)c1C c1cncc(c1)C[*:1] CNC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)[*:1])c1C
CNC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccnc2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)N(CC[NH+](C)C)Cc1cccnc1
NC1=[N+](CCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)C[C@@H]2CCCC[C@H]12 Fc1ccc(cc1)[*:1] NC1[C@H]2CCCC[C@H]2C[N+]=1CCN1C(=O)SC(=C[*:1])C1=O
N#Cc1c(F)cccc1N1CCN(Cc2cscn2)CC1 c1nc(cs1)C[*:1] N#Cc1c(F)cccc1N1CCN(CC1)[*:1]
N#Cc1c(F)cccc1N1CCN(Cc2cscn2)CC1 c1nc(cs1)[*:1] N#Cc1c(F)cccc1N1CCN(CC1)C[*:1]
COCc1cc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)ccc1F c1cnc(nc1)[*:1] COCc1cc(ccc1F)C(=O)NC[C@@H]1CCCN(C1)[*:1]
COCc1cc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)ccc1F COC[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)c1ccc(F)c(c1)[*:1]
N#Cc1cccc(C(=O)OCc2nc(C3CC3)cs2)c1 C1CC1[*:1] N#Cc1cccc(c1)C(=O)OCc1nc(cs1)[*:1]
CC(C)N(C(=O)Cn1nc(-c2cccs2)ccc1=O)C(C)C c1csc(c1)[*:1] CC(C)N(C(=O)Cn1nc(ccc1=O)[*:1])C(C)C
CC(C)N(C(=O)Cn1nc(-c2cccs2)ccc1=O)C(C)C CC(C)[*:1] CC(C)N(C(=O)Cn1nc(ccc1=O)-c1cccs1)[*:1]
Cc1csc([C@@H](C#N)C(=O)[C@H](C)Sc2ccc(Cl)cc2)n1 Cc1csc(n1)[*:1] C[C@H](Sc1ccc(Cl)cc1)C(=O)[C@H](C#N)[*:1]
Cc1csc([C@@H](C#N)C(=O)[C@H](C)Sc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)[C@H](C)S[*:1]
COc1cccc(-c2nnc(SCC(=O)NC[C@H]3CCCO3)o2)c1 COc1cccc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])NC[C@H]1CCCO1
COc1cccc(-c2nnc(SCC(=O)NC[C@H]3CCCO3)o2)c1 C1CO[C@H](C1)[*:1] COc1cccc(c1)-c1nnc(o1)SCC(=O)NC[*:1]
COc1cccc(-c2nnc(SCC(=O)NC[C@H]3CCCO3)o2)c1 C1CO[C@H](C1)C[*:1] COc1cccc(c1)-c1nnc(o1)SCC(=O)N[*:1]
CCN(CC)Cn1c(=S)sc2ccccc21 CCN(CC)[*:1] S=c1sc2ccccc2n1C[*:1]
COc1ccc(CNC(=O)N(C2CC2)[C@@H](C)C2CC2)cc1Br C1CC1[*:1] COc1ccc(cc1Br)CNC(=O)N(C1CC1)[C@@H](C)[*:1]
COc1ccc(CNC(=O)N(C2CC2)[C@@H](C)C2CC2)cc1Br C1CC1[*:1] COc1ccc(cc1Br)CNC(=O)N([C@@H](C)C1CC1)[*:1]
Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccnc1)CC(=O)N2 c1cncc(c1)[*:1] Cc1nn(-c2nc3ccccc3s2)c2NC(=O)C[C@H](c12)[*:1]
O=C(CSc1nc(=O)[nH]c2c1CCCC2)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CSc1nc(=O)[nH]c2CCCCc12)N[*:1]
O=C(CSc1nc(=O)[nH]c2c1CCCC2)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nc(=O)[nH]c2CCCCc12)NC[*:1]
C[NH+]1CCN(c2ncnc(Oc3cccc4cccnc34)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)c1ncnc(Oc2cccc3cccnc23)c1[*:1]
Cc1ccc2c(c1)N(C(=O)CCC(=O)NCc1ccccc1Br)C[C@@H](C)O2 Brc1ccccc1[*:1] Cc1ccc2O[C@H](C)CN(C(=O)CCC(=O)NC[*:1])c2c1
Cc1ccc2c(c1)N(C(=O)CCC(=O)NCc1ccccc1Br)C[C@@H](C)O2 Brc1ccccc1C[*:1] Cc1ccc2O[C@H](C)CN(C(=O)CCC(=O)N[*:1])c2c1
CC1=C2C(=O)CCCC2=N[C@H]1C(=O)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] CC1=C2C(=O)CCCC2=N[C@H]1C(=O)N1CCC[C@H]1[*:1]
COc1ccc(CN(C(=O)c2cccnc2)C2CC2)c(OC)c1 c1cncc(c1)[*:1] COc1ccc(CN(C(=O)[*:1])C2CC2)c(c1)OC
COc1ccc(CN(C(=O)c2cccnc2)C2CC2)c(OC)c1 C1CC1[*:1] COc1ccc(CN(C(=O)c2cccnc2)[*:1])c(c1)OC
Cc1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccco3)n2)cc1 Cc1ccc(cc1)[*:1] c1coc(c1)Cn1c(nnc1C1CC1)SCc1nc(no1)[*:1]
Cc1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccco3)n2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)-c1noc(CSc2nnc(C3CC3)n2[*:1])n1
Cc1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccco3)n2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1noc(CSc2nnc(n2Cc2ccco2)[*:1])n1
Cc1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccco3)n2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-c1noc(CSc2nnc(C3CC3)n2C[*:1])n1
C/C=C/C(=O)N1CCN(C(=O)N(CC)CC)CC1 CC=C[*:1] CCN(CC)C(=O)N1CCN(CC1)C(=O)[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)C(F)(F)F)[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccncc1 C[C@@H](c1ccncc1)[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)C(=O)N[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccncc1 FC(F)(F)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1ccncc1
CCc1c(C)nc2ncnn2c1N1CCN(c2ccc(C)cc2C)CC1 Cc1ccc(c(C)c1)[*:1] CCc1c(C)nc2ncnn2c1N1CCN(CC1)[*:1]
CCc1ccc(O)c(NC(=O)c2cc(C)no2)c1 Cc1cc(on1)[*:1] CCc1ccc(O)c(c1)NC(=O)[*:1]
C[C@@H](C(=O)Nc1ccc(F)cn1)c1ccc2ccccc2c1 Fc1ccc(nc1)[*:1] C[C@@H](C(=O)N[*:1])c1ccc2ccccc2c1
CC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)OCCO3)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])Nc1ccc2OCCOc2c1
N#Cc1ccc(S(=O)(=O)/N=C(\[O-])c2ccc(-n3cccc3)nc2)cc1 c1ccn(c1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])c1ccc(nc1)[*:1]
N#Cc1ccc(S(=O)(=O)/N=C(\[O-])c2ccc(-n3cccc3)nc2)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])c1ccc(nc1)-n1cccc1)[*:1]
O=C(CCc1cccc(F)c1)N1C[C@@H](n2cccn2)Cc2ccccc21 c1cnn(c1)[*:1] O=C(CCc1cccc(F)c1)N1C[C@@H](Cc2ccccc21)[*:1]
O=C(CCc1cccc(F)c1)N1C[C@@H](n2cccn2)Cc2ccccc21 Fc1cccc(c1)C[*:1] O=C(C[*:1])N1C[C@H](Cc2ccccc21)n1cccn1
O=C(CCc1cccc(F)c1)N1C[C@@H](n2cccn2)Cc2ccccc21 Fc1cccc(c1)[*:1] O=C(CC[*:1])N1C[C@H](Cc2ccccc21)n1cccn1
CCC1=C(C)[C@H](C(=O)N2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)N=N1 FC(F)(F)[*:1] CCC1N=N[C@@H](C(=O)N2CCC[C@H](C2)C(=O)c2cccc(c2)[*:1])C=1C
CC(C)CCO[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 CC(C)CC[*:1] CC(C)(CNC(=O)N1CC[C@@H](C1)O[*:1])[NH+]1CCCCC1
CC(C)CCO[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 CC(C)C[*:1] CC(C)(CNC(=O)N1CC[C@@H](C1)OC[*:1])[NH+]1CCCCC1
CC(C)CCO[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 CC(C)CCO[*:1] CC(C)(CNC(=O)N1CC[C@@H](C1)[*:1])[NH+]1CCCCC1
CC(C)CCO[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 CC(C)[*:1] CC(C)(CNC(=O)N1CC[C@@H](C1)OCC[*:1])[NH+]1CCCCC1
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)COC2 CC(C)[*:1] O=C(Nc1ccc2COCc2c1)N(Cc1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)COC2 O=[N+]([O-])[*:1] CC(C)N(Cc1ccc(cc1)[*:1])C(=O)Nc1ccc2COCc2c1
O=C(N[C@@H](C(=O)N/N=C\c1cccc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C\c1cccc2ccccc12)[C@H](NC(=O)[*:1])c1n[nH]c(=O)c2ccccc12
O=C(N[C@@H](C(=O)N/N=C\c1cccc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(N/N=C\c1cccc2ccccc12)[C@@H](c1n[nH]c(=O)c2ccccc12)[*:1]
O=C(N[C@@H](C(=O)N/N=C\c1cccc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1 c1ccc2c(cccc2c1)[*:1] O=C(N[C@@H](C(=O)NN=C[*:1])c1n[nH]c(=O)c2ccccc12)c1ccccc1
CCn1c(CN(C)CCn2cncn2)nc2ccccc21 c1ncn(n1)[*:1] CCn1c(CN(C)CC[*:1])nc2ccccc21
CCn1c(CN(C)CCn2cncn2)nc2ccccc21 c1ncn(C[*:1])n1 CCn1c(CN(C)C[*:1])nc2ccccc21
CCn1c(CN(C)CCn2cncn2)nc2ccccc21 c1ncn(CC[*:1])n1 CCn1c(CN(C)[*:1])nc2ccccc21
CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C(=O)[O-])cs1 O=C([O-])[*:1] CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc(cs1)[*:1]
CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C(=O)[O-])cs1 CC[C@H](C)[*:1] C[C@H](C[*:1])[NH2+]Cc1cc(cs1)C(=O)[O-]
CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C(=O)[O-])cs1 CC[C@H](C)C[*:1] C[C@@H]([NH2+]Cc1cc(cs1)C(=O)[O-])[*:1]
CCOc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)c1ccc2nc(C)c(C)nc2c1)[*:1]
Cc1nc2c(c(C)nn2C(C)(C)C)c(C)c1CCC(=O)N1CCN(C)CC1 CC(C)(C)[*:1] Cc1nc2c(c(C)nn2[*:1])c(C)c1CCC(=O)N1CCN(C)CC1
Cc1nc2c(c(C)nn2C(C)(C)C)c(C)c1CCC(=O)N1CCN(C)CC1 CN1CCN(CC1)C(=O)[*:1] Cc1nc2c(c(C)nn2C(C)(C)C)c(C)c1CC[*:1]
CN(C(=O)c1ccc(-n2cncn2)cc1)c1cc(Cl)cc(Cl)c1 c1ncn(n1)[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1cc(Cl)cc(Cl)c1
C[NH2+][C@H]1[C@@H](OC[C@@H]2CCCCO2)CCCC1(C)C C1CC[C@H](OC1)[*:1] C[NH2+][C@H]1[C@H](CCCC1(C)C)OC[*:1]
C=C(C)COCCNC(=O)c1cccc(OC)c1F C=C(C)C[*:1] COc1cccc(C(=O)NCCO[*:1])c1F
C=C(C)COCCNC(=O)c1cccc(OC)c1F C=C(C)COC[*:1] COc1cccc(C(=O)NC[*:1])c1F
C=C(C)COCCNC(=O)c1cccc(OC)c1F C=C(C)[*:1] COc1cccc(C(=O)NCCOC[*:1])c1F
C=C(C)COCCNC(=O)c1cccc(OC)c1F C=C(C)CO[*:1] COc1cccc(C(=O)NCC[*:1])c1F
CN(CC(F)F)C(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 FC(F)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc(nc1)NC(=O)c1ccccc1
CN(CC(F)F)C(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 c1ccc(cc1)[*:1] CN(CC(F)F)C(=O)C(=O)Nc1ccc(nc1)NC(=O)[*:1]
CN(CC(F)F)C(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 FC(F)C[*:1] CN(C(=O)C(=O)Nc1ccc(nc1)NC(=O)c1ccccc1)[*:1]
Cc1nc2ccc(N(C)C(=O)c3cnn(Cc4ccccc4)c3)cc2s1 c1ccc(cc1)[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)c1cnn(c1)C[*:1]
Cc1nc2ccc(N(C)C(=O)c3cnn(Cc4ccccc4)c3)cc2s1 c1ccc(cc1)C[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)c1cnn(c1)[*:1]
CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1F Fc1ccccc1[*:1] CN(C(=O)CC[C@@H]1NC(=O)N(C1=O)c1ccc(C#N)cc1)[*:1]
CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1F N#Cc1ccc(cc1)[*:1] CN(C(=O)CC[C@@H]1NC(=O)N(C1=O)[*:1])c1ccccc1F
O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCC[NH2+]C1CC1 O=[N+]([O-])[*:1] Clc1cc(NCC[NH2+]C2CC2)c(cc1Cl)[*:1]
O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCC[NH2+]C1CC1 C1CC1[*:1] O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCC[NH2+][*:1]
CCCC[C@@H](O)c1ccc(Br)c2ccccc12 CCC[*:1] O[C@H](C[*:1])c1ccc(Br)c2ccccc12
CCCC[C@@H](O)c1ccc(Br)c2ccccc12 CCCC[*:1] O[C@@H](c1ccc(Br)c2ccccc12)[*:1]
C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(cc1)C[*:1]
C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(CN2CCCC2=O)cc1 Fc1ccccc1[*:1] C[C@H](C[*:1])C(=O)Nc1ccc(cc1)CN1CCCC1=O
C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(CN2CCCC2=O)cc1 Fc1ccccc1C[*:1] C[C@H](C(=O)Nc1ccc(cc1)CN1CCCC1=O)[*:1]
Cc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)o1 Cc1nnc(o1)[*:1] Clc1ccc(cc1Cl)Cn1c(cc2ccccc21)[*:1]
Cc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)o1 Clc1ccc(cc1Cl)[*:1] Cc1nnc(o1)-c1cc2ccccc2n1C[*:1]
CCCn1nccc1[C@@H]([NH3+])[C@H]1CSCCO1 CCC[*:1] [NH3+][C@H](c1ccnn1[*:1])[C@H]1CSCCO1
COC(=O)C1CCN(C(=O)c2nc(-c3ccco3)sc2C)CC1 COC(=O)[*:1] Cc1sc(nc1C(=O)N1CCC(CC1)[*:1])-c1ccco1
COC(=O)C1CCN(C(=O)c2nc(-c3ccco3)sc2C)CC1 c1coc(c1)[*:1] COC(=O)C1CCN(CC1)C(=O)c1nc(sc1C)[*:1]
Cc1ccsc1CN(C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 Cc1ccsc1[*:1] CN(C[C@H](O)c1ccc(cc1)S(C)(=O)=O)C[*:1]
Cc1ccsc1CN(C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1ccsc1CN(C)C[C@H](O)c1ccc(cc1)[*:1]
Cc1ccsc1CN(C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 Cc1ccsc1C[*:1] CN(C[C@H](O)c1ccc(cc1)S(C)(=O)=O)[*:1]
COc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cn1 O=C1CCCN1[*:1] COc1ccc(cn1)NC(=O)c1cccc(c1)C[*:1]
COc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cn1 O=C1CCCN1C[*:1] COc1ccc(cn1)NC(=O)c1cccc(c1)[*:1]
COc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cn1 COc1ccc(cn1)[*:1] O=C(N[*:1])c1cccc(c1)CN1CCCC1=O
COC[C@H](C)N1C(=O)c2ccc(C(=O)NC3CC3)cc2C1=O COC[*:1] C[C@H](N1C(=O)c2ccc(cc2C1=O)C(=O)NC1CC1)[*:1]
COC[C@H](C)N1C(=O)c2ccc(C(=O)NC3CC3)cc2C1=O O=C(NC1CC1)[*:1] COC[C@H](C)N1C(=O)c2ccc(cc2C1=O)[*:1]
COC[C@H](C)N1C(=O)c2ccc(C(=O)NC3CC3)cc2C1=O C1CC1[*:1] COC[C@H](C)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COC[C@H](C)N1C(=O)c2ccc(C(=O)NC3CC3)cc2C1=O COC[C@H](C)[*:1] O=C(NC1CC1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COc1ccc(NC(=O)[C@@H]2CCn3c(nc4ccccc43)C2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCn2c(C1)nc1ccccc12
C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@H]1C[C@H]1[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F c1ccc(cc1)C[*:1] C[C@H](CCO)N(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F c1ccc(cc1)[*:1] C[C@H](CCO)N(C[*:1])C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F
C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F OCC[*:1] C[C@H](N(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F C[C@H](CCO)[*:1] O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N(Cc1ccccc1)[*:1]
COCCn1cnn(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1=S Clc1ccc(cc1)[*:1] COCCn1cnn(C[NH+]2CCC(CC2)C(=O)[*:1])c1=S
COCCn1cnn(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1=S COCC[*:1] O=C(c1ccc(Cl)cc1)C1CC[NH+](CC1)Cn1ncn(c1=S)[*:1]
COCCn1cnn(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1=S COC[*:1] O=C(c1ccc(Cl)cc1)C1CC[NH+](CC1)Cn1ncn(C[*:1])c1=S
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC(C)(C)CC(C)(C)C CC(C)(C)CC(C)(C)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC(C)(C)CC(C)(C)C CC(C)(C)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC(C)(C)C[*:1]
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC(C)(C)CC(C)(C)C CC(C)(C)C[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC(C)(C)[*:1]
Cc1cccc(C)c1C[NH2+]C[C@H](O)CC(C)C CC(C)[*:1] Cc1cccc(C)c1C[NH2+]C[C@H](O)C[*:1]
Cc1cccc(C)c1C[NH2+]C[C@H](O)CC(C)C CC(C)C[*:1] Cc1cccc(C)c1C[NH2+]C[C@H](O)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)CC2=O)cc1 c1ccc2[nH]c(nc2c1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC(CC1)c1nc2ccccc2[nH]1
CCOc1ccc(-c2nnc3ccc(S[C@@H](CC)C(=O)[O-])nn23)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)-c1nnc2ccc(nn12)S[C@@H](CC)[*:1]
CCOc1ccc(-c2nnc3ccc(S[C@@H](CC)C(=O)[O-])nn23)cc1 CCO[*:1] CC[C@H](Sc1ccc2nnc(-c3ccc(cc3)[*:1])n2n1)C(=O)[O-]
COCC[NH2+]CC(=O)N[C@@H]1CCCOC1 COCC[*:1] O=C(C[NH2+][*:1])N[C@@H]1CCCOC1
COCC[NH2+]CC(=O)N[C@@H]1CCCOC1 COC[*:1] O=C(C[NH2+]C[*:1])N[C@@H]1CCCOC1
C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] C[NH+](C)CCOc1ccc(cc1)NS(=O)(=O)[*:1]
Cc1cc(N2CCOCC2)nc(C2=CC[NH+](Cc3ccc(N4CCCC4=O)cc3)CC2)[nH+]1 O=C1CCCN1[*:1] Cc1cc(nc([nH+]1)C1=CC[NH+](CC1)Cc1ccc(cc1)[*:1])N1CCOCC1
Cc1cc(N2CCOCC2)nc(C2=CC[NH+](Cc3ccc(N4CCCC4=O)cc3)CC2)[nH+]1 C1CN(CCO1)[*:1] Cc1cc(nc([nH+]1)C1=CC[NH+](CC1)Cc1ccc(cc1)N1CCCC1=O)[*:1]
C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)NCC[NH+]2CCN(S(=O)(=O)c3ccc(C)c(C)c3C)CC2)c(C)c1C Cc1ccc(c(C)c1C)[*:1] Cc1ccc(c(C)c1C)S(=O)(=O)N1CC[NH+](CCNS(=O)(=O)[*:1])CC1
Cc1ccc(S(=O)(=O)NCC[NH+]2CCN(S(=O)(=O)c3ccc(C)c(C)c3C)CC2)c(C)c1C Cc1ccc(c(C)c1C)[*:1] Cc1ccc(c(C)c1C)S(=O)(=O)NCC[NH+]1CCN(CC1)S(=O)(=O)[*:1]
CCNC(=O)C1CCN(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CCNC(=O)C1CCN(CC1)C(=O)N[C@@H](C)c1cccc(c1)[*:1]
CCNC(=O)C1CCN(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 CCNC(=O)[*:1] C[C@H](NC(=O)N1CCC(CC1)[*:1])c1cccc(c1)C(F)(F)F
Cc1ccc(Sc2ncccc2C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1C Cc1ccc(cc1C)[*:1] CN(C(=O)c1cccnc1S[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)N(C(=O)Cc1ccccc1[N-]S(C)(=O)=O)C1CCC1 CC(C)[*:1] CS(=O)(=O)[N-]c1ccccc1CC(=O)N(C1CCC1)[*:1]
CC(C)N(C(=O)Cc1ccccc1[N-]S(C)(=O)=O)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)Cc1ccccc1[N-]S(C)(=O)=O)[*:1]
COc1ccc(OC)c(N2C(SCC(=O)Nc3cc(C)ccc3C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 Cc1ccc(C)c(c1)[*:1] COc1ccc(OC)c(c1)N1C(=N[C@@H]2CS(=O)(=O)C[C@@H]21)SCC(=O)N[*:1]
COc1ccc(OC)c(N2C(SCC(=O)Nc3cc(C)ccc3C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 COc1ccc(OC)c(c1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
COc1ccc(OC)c(N2C(SCC(=O)Nc3cc(C)ccc3C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 Cc1ccc(C)c(c1)NC(=O)[*:1] COc1ccc(OC)c(c1)N1C(=N[C@@H]2CS(=O)(=O)C[C@@H]21)SC[*:1]
Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)N[C@@H](C)c1nc2ccccc2n1[*:1]
Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c1 Cc1cccc(c1)O[*:1] CC(C)n1c(nc2ccccc21)[C@H](C)NC(=O)[C@H](C)[*:1]
Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)n1c(nc2ccccc21)[C@H](C)NC(=O)[C@H](C)O[*:1]
COC(=O)c1scc(C)c1NC(=O)CSc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)c1scc(C)c1NC(=O)CS[*:1]
COC(=O)c1scc(C)c1NC(=O)CSc1ccc(Cl)cc1 COC(=O)[*:1] Cc1csc(c1NC(=O)CSc1ccc(Cl)cc1)[*:1]
CCC[C@H](CCO)CNC(=O)c1cnc2sccn2c1=O CCC[*:1] O=C(NC[C@@H](CCO)[*:1])c1cnc2sccn2c1=O
CCC[C@H](CCO)CNC(=O)c1cnc2sccn2c1=O OCC[*:1] CCC[C@H](CNC(=O)c1cnc2sccn2c1=O)[*:1]
CCC[C@H](CCO)CNC(=O)c1cnc2sccn2c1=O CCC[C@H](CCO)[*:1] O=C(NC[*:1])c1cnc2sccn2c1=O
Cc1cc(CN(C)C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)no1 Cc1cc(no1)[*:1] CC(C)[C@@H](CNC(=O)N(C)C[*:1])[NH+]1CCCCCC1
Cc1cc(CN(C)C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)no1 Cc1cc(C[*:1])no1 CC(C)[C@@H](CNC(=O)N(C)[*:1])[NH+]1CCCCCC1
Cc1cc(CN(C)C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)no1 CC(C)[*:1] Cc1cc(CN(C)C(=O)NC[C@H]([NH+]2CCCCCC2)[*:1])no1
O=C(CSc1ncc(CO)n1Cc1ccccc1)N1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(CSc1ncc(CO)n1C[*:1])N1CCCc2ccccc21
O=C(CSc1ncc(CO)n1Cc1ccccc1)N1CCCc2ccccc21 c1ccc(cc1)C[*:1] O=C(CSc1ncc(CO)n1[*:1])N1CCCc2ccccc21
CCCC(=O)N[C@H](C)c1ccc2ccccc2c1 CCC[*:1] C[C@@H](NC(=O)[*:1])c1ccc2ccccc2c1
CCCC(=O)N[C@H](C)c1ccc2ccccc2c1 CCCC(=O)N[*:1] C[C@H](c1ccc2ccccc2c1)[*:1]
CC(=O)Nc1cc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2cc1C CC(=O)N[*:1] Cc1cc2sc(nc2cc1[*:1])NC(=O)C12CC3CC(CC(C3)C1)C2
CCC(C)(CC)[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C CCC(C)(CC)[*:1] C[C@H]1CCCC[C@H]1NC(=O)C[NH2+][*:1]
COc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CCC3)cc1 c1cc2CCCc2cc1[*:1] COc1ccc(cc1)CC[C@H](C)NC(=O)C(=O)N[*:1]
COc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CCC3)cc1 COc1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)C(=O)Nc1ccc2CCCc2c1
COc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CCC3)cc1 COc1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc2CCCc2c1
CCC[C@@H]1CN(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C[C@H]1NC(C)=O CC(=O)N[*:1] CCC[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cc2cc(Cl)cc(OC)c2o1
CCC[C@@H]1CN(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C[C@H]1NC(C)=O CCC[*:1] COc1cc(Cl)cc2cc(oc12)C(=O)N1C[C@@H](NC(C)=O)[C@@H](C1)[*:1]
Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccnc3)no2)s1 Cc1ccc(s1)[*:1] CN(Cc1nc(no1)-c1cccnc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccnc3)no2)s1 c1cncc(c1)[*:1] Cc1ccc(s1)S(=O)(=O)N(C)Cc1nc(no1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C1)C[*:1]
C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C1)[*:1]
O=C(NCc1ccccc1)Nc1ccc(-n2cccn2)nc1 c1cnn(c1)[*:1] O=C(NCc1ccccc1)Nc1ccc(nc1)[*:1]
O=C(NCc1ccccc1)Nc1ccc(-n2cccn2)nc1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(nc1)-n1cccn1)N[*:1]
O=C(NCc1ccccc1)Nc1ccc(-n2cccn2)nc1 c1ccc(cc1)[*:1] O=C(NC[*:1])Nc1ccc(nc1)-n1cccn1
C[C@@H]1CCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)c2ccccc21 O=C1NCCN1[*:1] C[C@@H]1CCN(C(=O)c2ccc(Cl)c(c2)[*:1])c2ccccc21
COc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c(O)c1 O=C1CCCN1[*:1] COc1ccc(C(=O)Nc2ccc(cc2)[*:1])c(O)c1
Cc1nc(-c2ccc(NC(=O)C(=O)N[C@@H](C)c3cn(C)nc3C)cc2)cs1 Cc1nc(cs1)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(-c2ccc(NC(=O)C(=O)N[C@@H](C)c3cn(C)nc3C)cc2)cs1 Cc1nn(C)cc1[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)C(=O)N[C@@H](C)[*:1]
N#Cc1ccccc1NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O N#Cc1ccccc1[*:1] O=C(N[*:1])[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
N#Cc1ccccc1NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O c1ccc(cc1)[*:1] N#Cc1ccccc1NC(=O)[C@@H](N1Cc2ccccc2C1=O)[*:1]
CC(C)c1ccc(CN2CCC([NH3+])CC2)cc1 CC(C)[*:1] [NH3+]C1CCN(CC1)Cc1ccc(cc1)[*:1]
CNc1cccc(CSc2nnnn2C2CC2)n1 C1CC1[*:1] CNc1cccc(CSc2nnnn2[*:1])n1
C#CCNc1nc2nonc2nc1NCC#C C#CCN[*:1] C#CCNc1nc2nonc2nc1[*:1]
C#CCNc1nc2nonc2nc1NCC#C C#CC[*:1] C#CCNc1nc2nonc2nc1N[*:1]
Cn1c(C(=O)NC[C@@H]2CCCO2)c(N2CCCC2=O)c2cc(F)ccc21 O=C1CCCN1[*:1] Cn1c(C(=O)NC[C@@H]2CCCO2)c(c2cc(F)ccc21)[*:1]
Cn1c(C(=O)NC[C@@H]2CCCO2)c(N2CCCC2=O)c2cc(F)ccc21 C1CO[C@@H](C1)[*:1] Cn1c(C(=O)NC[*:1])c(c2cc(F)ccc21)N1CCCC1=O
Cn1c(C(=O)NC[C@@H]2CCCO2)c(N2CCCC2=O)c2cc(F)ccc21 C1CO[C@@H](C1)C[*:1] Cn1c(C(=O)N[*:1])c(c2cc(F)ccc21)N1CCCC1=O
C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)cc2)C1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@H](C)C[NH+](Cc2ccc(cc2)CNC(=O)c2ccc(=O)n(n2)[*:1])C1
O=C(NCC[C@H](O)c1ccoc1)c1cccc(C(F)(F)F)c1 c1cc(co1)[*:1] O=C(NCC[C@H](O)[*:1])c1cccc(c1)C(F)(F)F
O=C(NCC[C@H](O)c1ccoc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCC[C@H](O)c1ccoc1)c1cccc(c1)[*:1]
C[C@@](O)(C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccco1 FC(F)(F)C[*:1] C[C@@](O)(C[NH2+][C@@H]1CCN(C1)[*:1])c1ccco1
C[C@@](O)(C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccco1 FC(F)(F)[*:1] C[C@@](O)(C[NH2+][C@@H]1CCN(C1)C[*:1])c1ccco1
C[C@@](O)(C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccco1 c1coc(c1)[*:1] C[C@@](O)(C[NH2+][C@@H]1CCN(C1)CC(F)(F)F)[*:1]
CC[C@H](C#N)Oc1c(F)cc(C=O)cc1F CC[C@H](C#N)[*:1] O=Cc1cc(F)c(O[*:1])c(F)c1
C[C@H](OC(=O)/C=C/c1ccncc1)[C@H]1CCOC1 c1cc(ccn1)[*:1] C[C@H](OC(=O)C=C[*:1])[C@H]1CCOC1
C[C@H](OC(=O)/C=C/c1ccncc1)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@H](OC(=O)/C=C/c1ccncc1)[*:1]
CCNC(=O)C[NH2+][C@H]1C[C@H]2CC[C@]1(C)C2(C)C CCNC(=O)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)[NH2+]C[*:1]
C=C(C)C[C@H](CCC(C)C)[NH2+]CC CC(C)[*:1] C=C(C)C[C@H](CC[*:1])[NH2+]CC
C=C(C)C[C@H](CCC(C)C)[NH2+]CC C=C(C)C[*:1] CC[NH2+][C@@H](CCC(C)C)[*:1]
C=C(C)C[C@H](CCC(C)C)[NH2+]CC CC(C)C[*:1] C=C(C)C[C@H](C[*:1])[NH2+]CC
C=C(C)C[C@H](CCC(C)C)[NH2+]CC C=C(C)[*:1] CC[NH2+][C@@H](CCC(C)C)C[*:1]
O=C(NCCc1cc(Cl)cc(Cl)c1)N[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(NCCc1cc(Cl)cc(Cl)c1)N[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c(c1)[*:1]
Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c(N(C)C)c1 C1CC1[*:1] Cc1ccc(CNC(=O)[C@H]2CC(=O)N(C2)C[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c(N(C)C)c1 C1CC1C[*:1] Cc1ccc(CNC(=O)[C@H]2CC(=O)N(C2)[*:1])c(c1)N(C)C
CC(=O)N(Cc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1)C1CC1 CC(=O)N(C1CC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])N1CCc2cc(F)ccc2C1
CC(=O)N(Cc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1)C1CC1 CC(=O)N(C[*:1])C1CC1 O=C(Nc1ccc(cc1)[*:1])N1CCc2cc(F)ccc2C1
CC(=O)N(Cc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1)C1CC1 C1CC1[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)N1CCc2cc(F)ccc2C1)[*:1]
COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCN(c2ccccn2)CC1 COC(=O)[*:1] Cc1ccc(cc1)-c1csc(c1S(=O)(=O)N1CCN(CC1)c1ccccn1)[*:1]
COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCN(c2ccccn2)CC1 c1ccc(nc1)[*:1] COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCN(CC1)[*:1]
COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCN(c2ccccn2)CC1 Cc1ccc(cc1)[*:1] COC(=O)c1scc(c1S(=O)(=O)N1CCN(CC1)c1ccccn1)[*:1]
C[C@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1nc(C(C)(C)C)cs1 C1CC1C[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])c1nc(cs1)C(C)(C)C
C[C@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1nc(C(C)(C)C)cs1 C1CC1[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)C[*:1])c1nc(cs1)C(C)(C)C
C[C@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1nc(cs1)[*:1]
C/C(=C/C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)Nc1ccc(cc1)C[C@@H]1NC(=O)NC1=O)[*:1]
C/C(=C/C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)C(C)(C)C CC(=C[*:1])C(C)(C)C O=C1NC(=O)[C@H](Cc2ccc(cc2)NC(=O)[*:1])N1
C/C(=C/C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)C(C)(C)C O=C1NC(=O)[C@H](C[*:1])N1 C/C(=C/C(=O)Nc1ccc(cc1)[*:1])C(C)(C)C
CCc1nnc(-c2ccc(NC(=O)N3CC[C@H](C)[C@H](O)C3)cc2)o1 CCc1nnc(o1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](CNS(=O)(=O)CC1CCCCC1)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)CC1CCCCC1)[*:1]
CC(C)[C@@H](CNS(=O)(=O)CC1CCCCC1)N1CC[NH+](C)CC1 C1CCC(CC1)C[*:1] CC(C)[C@@H](CNS(=O)(=O)[*:1])N1CC[NH+](C)CC1
CC(C)[C@@H](CNS(=O)(=O)CC1CCCCC1)N1CC[NH+](C)CC1 C1CCC(CC1)[*:1] CC(C)[C@@H](CNS(=O)(=O)C[*:1])N1CC[NH+](C)CC1
COC(=O)c1ccc(CN(C)C(=O)N2[C@@H](C)CCC[C@H]2C)cc1 COC(=O)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)N(C)Cc1ccc(cc1)[*:1]
CC(C)c1nc(NC(=O)NCc2ccc(-n3ccnc3)nc2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)NCc1ccc(nc1)-n1ccnc1)[*:1]
CC(C)c1nc(NC(=O)NCc2ccc(-n3ccnc3)nc2)n(C)n1 c1cn(cn1)[*:1] CC(C)c1nc(NC(=O)NCc2ccc(nc2)[*:1])n(C)n1
CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)c1ccccc1C Cc1ccc(cc1)[*:1] CCN(C(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccccc1C
CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)[C@H]1CC(=O)N(C1)c1ccc(C)cc1)[*:1]
C[C@@H](Cc1nc(-c2cnccn2)no1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](Cc1nc(no1)-c1cnccn1)[*:1]
C[C@@H](Cc1nc(-c2cnccn2)no1)c1cccc(F)c1 c1cnc(cn1)[*:1] C[C@@H](Cc1nc(no1)[*:1])c1cccc(F)c1
C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 O=[N+]([O-])[*:1] C[C@@H](NC(=O)NCc1cccc(c1)[*:1])[C@@H]1COc2ccccc21
COc1ccccc1NC(=O)c1ccc2c(c1)N(CC#N)C(=O)C(C)(C)O2 COc1ccccc1[*:1] CC1(C)Oc2ccc(cc2N(CC#N)C1=O)C(=O)N[*:1]
COc1ccccc1NC(=O)c1ccc2c(c1)N(CC#N)C(=O)C(C)(C)O2 N#CC[*:1] COc1ccccc1NC(=O)c1ccc2OC(C)(C)C(=O)N(c2c1)[*:1]
CCOc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C(=O)OC)C1)CCO2 CCO[*:1] COC(=O)N1CC[C@@H](C1)[NH2+][C@H]1CCOc2ccc(cc21)[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)O[C@@H](C)[C@@H]2CCCO2)cc1 C[C@H]1C[C@@H]1C(=O)N[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])[C@@H]1CCCO1
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)O[C@@H](C)[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)O[C@@H](C)[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)O[C@@H](C)[C@@H]2CCCO2)cc1 C[C@H]1C[C@H]1[*:1] C[C@H](OC(=O)c1ccc(cc1)NC(=O)[*:1])[C@@H]1CCCO1
c1ccc(C[NH+](Cc2ccccc2)C2CCC3(CC2)OCCO3)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)C[NH+](C1CCC2(CC1)OCCO2)[*:1]
c1ccc(C[NH+](Cc2ccccc2)C2CCC3(CC2)OCCO3)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)C[NH+](C[*:1])C1CCC2(CC1)OCCO2
Cc1n[nH]c(-c2ccc(C(=O)Nc3cc(-n4cccc4)ccc3F)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(Nc1cc(ccc1F)-n1cccc1)c1ccc(cc1)[*:1]
Cc1n[nH]c(-c2ccc(C(=O)Nc3cc(-n4cccc4)ccc3F)cc2)n1 c1ccn(c1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)Nc1cc(ccc1F)[*:1]
Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)O[C@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)C(=O)N(C)C
Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 Cc1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1cccc(c1)C(=O)N(C)C)[*:1]
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2)c1 c1cc(ccn1)[*:1] COCCNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2)c1 COCCNS(=O)(=O)[*:1] O=C(Nc1ccncc1)c1cc(ccc1Cl)[*:1]
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2)c1 COCC[*:1] O=C(Nc1ccncc1)c1cc(ccc1Cl)S(=O)(=O)N[*:1]
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2)c1 COC[*:1] O=C(Nc1ccncc1)c1cc(ccc1Cl)S(=O)(=O)NC[*:1]
C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(F)cn1 Fc1ccccc1[*:1] C[C@@H](N[C@@H]1CCCN(C1=O)[*:1])c1ccc(F)cn1
C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H](N[C@@H]1CCCN(C1=O)c1ccccc1F)[*:1]
CN(C)c1cc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)ncn1 c1cncc(c1)C[*:1] CN(C)c1cc(ncn1)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
CN(C)c1cc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)ncn1 CN(C)c1cc(ncn1)[*:1] O=C1CC[C@]2(CCCN(C2)[*:1])CN1Cc1cccnc1
CN(C)c1cc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)ncn1 c1cncc(c1)[*:1] CN(C)c1cc(ncn1)N1CCC[C@]2(CCC(=O)N(C2)C[*:1])C1
CN(C)c1cc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)ncn1 CN(C)[*:1] O=C1CC[C@]2(CCCN(C2)c2cc(ncn2)[*:1])CN1Cc1cccnc1
C[C@@H](NC(=O)CC1(O)CCCCC1)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)CC1(O)CCCCC1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)CC1(O)CCCCC1)c1ccc(-c2cccnc2)cc1 OC1(CCCCC1)C[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-c1cccnc1
C[C@@H](NC(=O)CC1(O)CCCCC1)c1ccc(-c2cccnc2)cc1 OC1(CCCCC1)[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-c1cccnc1
Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4cccc5ccccc45)CC3)nn2)n1 c1ccc2c(cccc2c1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4cccc5ccccc45)CC3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C(c1cccc2ccccc12)N1CCN(CC1)c1ccc(nn1)[*:1]
O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@H]1CCCN1C(=O)COCc1ccccc1 c1ccc(cc1)CO[*:1] O=C(Nc1nnc(s1)-c1cccc(Cl)c1)[C@H]1CCCN1C(=O)C[*:1]
O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@H]1CCCN1C(=O)COCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1nnc(s1)-c1cccc(Cl)c1)[C@H]1CCCN1C(=O)CO[*:1]
O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@H]1CCCN1C(=O)COCc1ccccc1 c1ccc(cc1)COC[*:1] O=C(Nc1nnc(s1)-c1cccc(Cl)c1)[C@H]1CCCN1C(=O)[*:1]
O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@H]1CCCN1C(=O)COCc1ccccc1 Clc1cccc(c1)[*:1] O=C(Nc1nnc(s1)[*:1])[C@H]1CCCN1C(=O)COCc1ccccc1
O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@H]1CCCN1C(=O)COCc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(s1)-c1cccc(Cl)c1)[C@H]1CCCN1C(=O)COC[*:1]
CCc1ccc(NC(=O)c2ccc(Cn3c(=O)[nH]c4cc(OC)c(OC)cc4c3=O)cc2)cc1 CCc1ccc(cc1)NC(=O)[*:1] COc1cc2[nH]c(=O)n(Cc3ccc(cc3)[*:1])c(=O)c2cc1OC
CCc1ccc(NC(=O)c2ccc(Cn3c(=O)[nH]c4cc(OC)c(OC)cc4c3=O)cc2)cc1 CCc1ccc(cc1)[*:1] COc1cc2[nH]c(=O)n(Cc3ccc(cc3)C(=O)N[*:1])c(=O)c2cc1OC
C[NH+]1CCN(c2ccc(NC(=O)CCn3ccccc3=O)nc2)CC1 O=c1ccccn1[*:1] C[NH+]1CCN(CC1)c1ccc(nc1)NC(=O)CC[*:1]
C[NH+]1CCN(c2ccc(NC(=O)CCn3ccccc3=O)nc2)CC1 O=c1ccccn1C[*:1] C[NH+]1CCN(CC1)c1ccc(nc1)NC(=O)C[*:1]
C[C@H]1C[C@@H]1NC(=O)c1c(F)cc(Br)cc1F C[C@H]1C[C@H]1[*:1] O=C(N[*:1])c1c(F)cc(Br)cc1F
CCC[C@@H]1SCCN1S(=O)(=O)CCC1CC1 C1CC1[*:1] CCC[C@@H]1SCCN1S(=O)(=O)CC[*:1]
CCC[C@@H]1SCCN1S(=O)(=O)CCC1CC1 C1CC1CC[*:1] CCC[C@@H]1SCCN1S(=O)(=O)[*:1]
CCC[C@@H]1SCCN1S(=O)(=O)CCC1CC1 CCC[*:1] O=S(=O)(CCC1CC1)N1CCS[C@H]1[*:1]
CCC[C@@H]1SCCN1S(=O)(=O)CCC1CC1 C1CC1C[*:1] CCC[C@@H]1SCCN1S(=O)(=O)C[*:1]
C[C@@H](c1ccco1)N(C(=O)Nc1ccc[nH+]c1N1CCOCC1)C1CC1 C1CN(CCO1)[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1ccc[nH+]c1[*:1])C1CC1
C[C@@H](c1ccco1)N(C(=O)Nc1ccc[nH+]c1N1CCOCC1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1ccc[nH+]c1N1CCOCC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)Nc1ccc[nH+]c1N1CCOCC1)C1CC1 C[C@@H](c1ccco1)[*:1] O=C(Nc1ccc[nH+]c1N1CCOCC1)N(C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)Nc1ccc[nH+]c1N1CCOCC1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)Nc1ccc[nH+]c1N1CCOCC1)C1CC1)[*:1]
CNC(=O)CC[NH+]1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 c1ccc2c(csc2c1)[*:1] CNC(=O)CC[NH+]1CCOc2c(O)cc(cc2C1)[*:1]
CNC(=O)CC[NH+]1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 CNC(=O)C[*:1] Oc1cc(cc2C[NH+](CCOc12)C[*:1])-c1csc2ccccc12
CNC(=O)CC[NH+]1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 CNC(=O)[*:1] Oc1cc(cc2C[NH+](CCOc12)CC[*:1])-c1csc2ccccc12
CNC(=O)CC[NH+]1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 CNC(=O)CC[*:1] Oc1cc(cc2C[NH+](CCOc12)[*:1])-c1csc2ccccc12
Cc1cc(C)cc(NC(=S)N2CCn3cccc3[C@@H]2c2cccs2)c1 Cc1cc(C)cc(c1)[*:1] S=C(N[*:1])N1CCn2cccc2[C@@H]1c1cccs1
Cc1cc(C)cc(NC(=S)N2CCn3cccc3[C@@H]2c2cccs2)c1 c1csc(c1)[*:1] Cc1cc(C)cc(c1)NC(=S)N1CCn2cccc2[C@H]1[*:1]
COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CS[*:1]
COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CSc1ccc(cc1)[*:1]
COc1ccc(Br)cc1[C@H]1CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 COc1ccc(Br)cc1[*:1] O=C(CSc1ccc(cc1)[N+](=O)[O-])N1CCC[C@@H]1[*:1]
CC1(C)Cc2ccc(C(=O)NC3(C#N)CC3)c(O)c2O1 N#CC1(CC1)[*:1] CC1(C)Cc2ccc(C(=O)N[*:1])c(O)c2O1
CC(C)(CNC(=O)CSc1nccn1-c1cccc(Cl)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(CNC(=O)CSc1nccn1-c1cccc(Cl)c1)[*:1]
CC(C)(CNC(=O)CSc1nccn1-c1cccc(Cl)c1)N1CCOCC1 CC(C)(N1CCOCC1)[*:1] O=C(CSc1nccn1-c1cccc(Cl)c1)NC[*:1]
CC(C)(CNC(=O)CSc1nccn1-c1cccc(Cl)c1)N1CCOCC1 Clc1cccc(c1)[*:1] CC(C)(CNC(=O)CSc1nccn1[*:1])N1CCOCC1
NC(=O)c1ccc(C(F)(F)F)nc1Sc1cnccn1 c1cnc(cn1)[*:1] NC(=O)c1ccc(nc1S[*:1])C(F)(F)F
NC(=O)c1ccc(C(F)(F)F)nc1Sc1cnccn1 FC(F)(F)[*:1] NC(=O)c1ccc(nc1Sc1cnccn1)[*:1]
NC(=O)c1ccc(C(F)(F)F)nc1Sc1cnccn1 NC(=O)[*:1] FC(F)(F)c1ccc(c(n1)Sc1cnccn1)[*:1]
CC(=O)N1CCc2ccc(S(=O)(=O)NC3CCCCC3)cc21 C1CCC(CC1)[*:1] CC(=O)N1CCc2ccc(cc21)S(=O)(=O)N[*:1]
Cc1nsc(N2CCN(C(=O)Nc3cc(F)c(F)cc3F)CC2)n1 Cc1nsc(n1)[*:1] O=C(Nc1cc(F)c(F)cc1F)N1CCN(CC1)[*:1]
C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1cccc2ccccc12 C1CCC(CC1)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1cccc2ccccc12
CCN(CC)C(=O)c1cc(S(=O)(=O)N(CC)CC)c(Cl)cc1Cl CCN(CC)C(=O)[*:1] CCN(CC)S(=O)(=O)c1cc(c(Cl)cc1Cl)[*:1]
NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 NS(=O)(=O)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1c(F)cc(F)cc1Br
COc1ccccc1CC(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1CC(=O)N[C@@H](C)[*:1]
O=Cc1cc([N+](=O)[O-])ccc1OCc1cc(=O)oc2cc3c(cc12)CCC3 O=[N+]([O-])[*:1] O=Cc1cc(ccc1OCc1cc(=O)oc2cc3CCCc3cc12)[*:1]
Cc1ccccc1[C@@H]1CN(C(=O)C(=O)Nc2cccnc2Cl)CCO1 Cc1ccccc1[*:1] O=C(Nc1cccnc1Cl)C(=O)N1CCO[C@@H](C1)[*:1]
Cc1ccccc1[C@@H]1CN(C(=O)C(=O)Nc2cccnc2Cl)CCO1 Clc1ncccc1[*:1] Cc1ccccc1[C@@H]1CN(CCO1)C(=O)C(=O)N[*:1]
Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] Cc1cc(ccc1NC(=O)[*:1])NC(=S)NC(=O)c1cccc(Cl)c1
Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cc2ccccc2o1 Clc1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)c1cc2ccccc2o1)NC(=S)NC(=O)[*:1]
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 O=[N+]([O-])[*:1] O=C(/C=C\c1ccc(cc1)[*:1])N[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(/C=C\c1ccc(cc1)[N+](=O)[O-])N[C@@H]1CC(=O)N(C1)[*:1]
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C=C[*:1])N[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1
C[C@H](NCc1ccc([S@](C)=O)cc1)c1nc2ccccc2n1C C[S@](=O)[*:1] C[C@H](NCc1ccc(cc1)[*:1])c1nc2ccccc2n1C
CC[C@H](CSC)N(C)c1ncnc2cc(F)c(F)cc12 CSC[*:1] CC[C@H](N(C)c1ncnc2cc(F)c(F)cc12)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)c(F)c1 Cc1cc(C)cc(c1)[*:1] CC(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)N[*:1]
CC(=O)c1ccc(N2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)c(F)c1 CC(=O)[*:1] Cc1cc(C)cc(c1)NC(=O)N1CCN(CC1)c1ccc(cc1F)[*:1]
COc1ccccc1CNC(=O)CNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1C COc1ccccc1[*:1] CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NC[*:1]
COc1ccccc1CNC(=O)CNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1C COc1ccccc1C[*:1] CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)N[*:1]
CCN(CC)c1ncnc2c1cnn2CC(=O)Nc1cc(C)ccc1OC CCN(CC)[*:1] COc1ccc(C)cc1NC(=O)Cn1ncc2c(ncnc21)[*:1]
CCN(CC)c1ncnc2c1cnn2CC(=O)Nc1cc(C)ccc1OC COc1ccc(C)cc1[*:1] CCN(CC)c1ncnc2c1cnn2CC(=O)N[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)Cc2ccc(C)c(O)c2)n1 Cc1cc(C)n(n1)[*:1] Cc1ccc(cc1O)CC(=O)NC[C@@H](C)C[*:1]
COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)cc1 COC(=O)[*:1] Cn1c(nc2cc(ccc21)NC(=O)c1ccc(cc1)[*:1])C1CC1
COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)cc1 C1CC1[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
O=C(NC(=S)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 C1CO[C@H](C1)C[*:1] O=C(NC(=S)N[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(NC(=S)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 C1CO[C@H](C1)[*:1] O=C(NC(=S)NC[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(NC(=S)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC(=S)NC[C@H]1CCCO1)c1cccc(c1)[*:1]
O=C([O-])c1ccc(F)cc1-c1ccc(F)c(Cl)c1 O=C([O-])[*:1] Fc1ccc(c(c1)-c1ccc(F)c(Cl)c1)[*:1]
CC(=O)Oc1cc(OC(C)=O)cc(C(=O)Nc2ccccc2)c1 CC(=O)O[*:1] CC(=O)Oc1cc(cc(c1)[*:1])C(=O)Nc1ccccc1
CC(=O)Oc1cc(OC(C)=O)cc(C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Oc1cc(cc(c1)C(=O)N[*:1])OC(C)=O
CCNC(=O)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 CCNC(=O)C[*:1] O=C(N[*:1])c1ccc(=O)n(Cc2ccccc2)n1
CCNC(=O)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CCNC(=O)CNC(=O)c1ccc(=O)n(C[*:1])n1
CCNC(=O)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CCNC(=O)CNC(=O)c1ccc(=O)n(n1)[*:1]
CCNC(=O)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 CCNC(=O)[*:1] O=C(NC[*:1])c1ccc(=O)n(Cc2ccccc2)n1
CC(C)CS(=O)(=O)CCC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC(C)CS(=O)(=O)CCC(=O)N[*:1]
CC(C)CS(=O)(=O)CCC(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(C)CS(=O)(=O)CCC(=O)NC[*:1]
CC(C)CS(=O)(=O)CCC(=O)NC[C@@H]1CCCO1 CC(C)C[*:1] O=C(CCS(=O)(=O)[*:1])NC[C@@H]1CCCO1
CC(C)CS(=O)(=O)CCC(=O)NC[C@@H]1CCCO1 CC(C)[*:1] O=C(CCS(=O)(=O)C[*:1])NC[C@@H]1CCCO1
C[C@H](NC(=O)c1ccnc(OC(C)(C)C)c1)c1nnc2ccccn12 CC(C)(C)O[*:1] C[C@H](NC(=O)c1ccnc(c1)[*:1])c1nnc2ccccn12
C[C@H](NC(=O)c1ccnc(OC(C)(C)C)c1)c1nnc2ccccn12 CC(C)(C)[*:1] C[C@H](NC(=O)c1ccnc(c1)O[*:1])c1nnc2ccccn12
COc1ccccc1N1CCN(c2ccc(C(F)(F)F)cc2N)CC1 FC(F)(F)[*:1] COc1ccccc1N1CCN(CC1)c1ccc(cc1N)[*:1]
COc1ccccc1N1CCN(c2ccc(C(F)(F)F)cc2N)CC1 COc1ccccc1[*:1] Nc1cc(ccc1N1CCN(CC1)[*:1])C(F)(F)F
CC(C)c1ccc(S(=O)(=O)CC(=O)N(C)Cc2cccs2)cc1 CC(C)[*:1] CN(Cc1cccs1)C(=O)CS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)CC(=O)N(C)Cc2cccs2)cc1 c1csc(c1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)CC(=O)N(C)C[*:1]
CC(C)c1ccc(S(=O)(=O)CC(=O)N(C)Cc2cccs2)cc1 c1csc(c1)C[*:1] CC(C)c1ccc(cc1)S(=O)(=O)CC(=O)N(C)[*:1]
CC[NH+](Cc1ccccc1)CC1(CS)CCCC1 c1ccc(cc1)[*:1] CC[NH+](CC1(CS)CCCC1)C[*:1]
Cc1cc(C)cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1nc(sc1C(=O)NNC(=O)[*:1])N1CCOCC1
Cc1cc(C)cc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1 C1CN(CCO1)[*:1] Cc1cc(C)cc(c1)C(=O)NNC(=O)c1sc(nc1C)[*:1]
C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1ccncc1 c1cc(ccn1)[*:1] C[C@H]([NH2+][C@H]1CCCc2cccnc21)[*:1]
COc1ccc(C(=O)Nc2ncccc2OC(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ncccc1OC(F)F
COc1ccc(C(=O)Nc2ncccc2OC(F)F)cc1[N+](=O)[O-] FC(F)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ncccc1O[*:1]
COc1ccc(C(=O)Nc2ncccc2OC(F)F)cc1[N+](=O)[O-] FC(F)O[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ncccc1[*:1]
CC[C@](C)(C(=O)Nc1c(C)cc(C)cc1C)N1C(=O)C[C@H]1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CC[C@](C)(C(=O)Nc1c(C)cc(C)cc1C)N1C(=O)C[C@@H]1[*:1]
CC[C@](C)(C(=O)Nc1c(C)cc(C)cc1C)N1C(=O)C[C@H]1c1ccc2c(c1)OCO2 Cc1cc(C)c(c(C)c1)[*:1] CC[C@](C)(C(=O)N[*:1])N1C(=O)C[C@H]1c1ccc2OCOc2c1
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(C)c3nc4ccccc4o3)c2)C1 c1ccc2oc(nc2c1)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
CCO[C@]1(C[NH3+])CS[C@H](C)C1 CCO[*:1] C[C@@H]1C[C@](C[NH3+])(CS1)[*:1]
Cc1c([C@H](C)[NH2+]C[C@H](O)C2CCCC2)cnn1-c1ccc(F)cc1 C1CCC(C1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@H](C)[NH2+]C[C@H](O)[*:1]
Cc1c([C@H](C)[NH2+]C[C@H](O)C2CCCC2)cnn1-c1ccc(F)cc1 O[C@H](C1CCCC1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@H](C)[NH2+]C[*:1]
Cc1c([C@H](C)[NH2+]C[C@H](O)C2CCCC2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@H](C)[NH2+]C[C@H](O)C1CCCC1
CC(C)(C)C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 CC(C)(C)[*:1] O=C(NCCn1nc(c2cccnc21)[C@H]1CC[NH2+]C1)[*:1]
CC(C)(C)C(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 CC(C)(C)C(=O)N[*:1] c1cnc2c(c1)c(nn2CC[*:1])[C@H]1CC[NH2+]C1
CCOc1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CC[NH+](CC)CC2)cc1 CCOc1ccc(cc1)[*:1] CC[NH+]1CCC(CC1)N(Cc1ccc(F)cc1)C(=O)N[*:1]
CCOc1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CC[NH+](CC)CC2)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)N(C[*:1])C1CC[NH+](CC)CC1
CCOc1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CC[NH+](CC)CC2)cc1 Fc1ccc(cc1)C[*:1] CCOc1ccc(cc1)NC(=O)N(C1CC[NH+](CC)CC1)[*:1]
CCOc1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CC[NH+](CC)CC2)cc1 CCO[*:1] CC[NH+]1CCC(CC1)N(Cc1ccc(F)cc1)C(=O)Nc1ccc(cc1)[*:1]
c1cnc(N2CCC[C@H]2c2nc3ccccc3[nH]2)nc1 c1cnc(nc1)[*:1] c1ccc2[nH]c(nc2c1)[C@@H]1CCCN1[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N1CCN(C2CCCC2)CC1 C1CCC(C1)[*:1] CCc1nn(C)cc1NC(=O)C(=O)N1CCN(CC1)[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N1CCN(C2CCCC2)CC1 CCc1nn(C)cc1[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)C1CCCC1
Cc1cc2n(n1)[C@H](c1ccsc1)Nc1c(C)cccc1-2 c1cc(cs1)[*:1] Cc1cc2-c3cccc(C)c3N[C@@H](n2n1)[*:1]
CC(=O)c1ccc(C(=O)Nc2c(C)cccc2Cl)cc1 CC(=O)[*:1] Cc1cccc(Cl)c1NC(=O)c1ccc(cc1)[*:1]
Cc1cnc(Cl)nc1Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1cnc(Cl)nc1Nc1ccccc1[*:1]
COc1cccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccc(CO)o2)c1OC OCc1ccc(C[*:1])o1 COc1cccc(c1OC)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1[*:1]
COc1cccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccc(CO)o2)c1OC OCc1ccc(o1)[*:1] COc1cccc(c1OC)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C[*:1]
COc1cccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccc(CO)o2)c1OC COc1cccc(c1OC)[*:1] OCc1ccc(CN2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2[*:1])o1
Cc1c(C[NH2+][C@@H]2CCCc3ccc(C(C)C)cc32)cnn1C CC(C)[*:1] Cc1c(cnn1C)C[NH2+][C@@H]1CCCc2ccc(cc21)[*:1]
Cc1c(C[NH2+][C@@H]2CCCc3ccc(C(C)C)cc32)cnn1C Cc1c(cnn1C)[*:1] CC(C)c1ccc2CCC[C@@H]([NH2+]C[*:1])c2c1
CC[C@H](CCC1CC1)C(=O)[O-] C1CC1[*:1] CC[C@H](CC[*:1])C(=O)[O-]
CC[C@H](CCC1CC1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](CCC1CC1)[*:1]
CCCCNC(=O)[C@H](C)Sc1nc2ccccc2n1C CCC[*:1] C[C@H](Sc1nc2ccccc2n1C)C(=O)NC[*:1]
CCCCNC(=O)[C@H](C)Sc1nc2ccccc2n1C CCCC[*:1] C[C@H](Sc1nc2ccccc2n1C)C(=O)N[*:1]
O=C(NCc1ccc(F)cc1F)[C@@H]1CCCN(C(=O)Nc2cccs2)C1 c1csc(c1)[*:1] O=C(NCc1ccc(F)cc1F)[C@@H]1CCCN(C1)C(=O)N[*:1]
O=C(NCc1ccc(F)cc1F)[C@@H]1CCCN(C(=O)Nc2cccs2)C1 Fc1ccc(c(F)c1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)Nc1cccs1
FC(F)(F)CNc1ccc(C(F)(F)F)cc1 FC(F)(F)C[*:1] FC(F)(F)c1ccc(cc1)N[*:1]
FC(F)(F)CNc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] FC(F)(F)CNc1ccc(cc1)[*:1]
FC(F)(F)CNc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] FC(F)(F)c1ccc(cc1)NC[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 CC(C)[C@H](CO)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 CC(C)[*:1] O=[N+]([O-])c1cccc(c1)S(=O)(=O)N[C@@H](CO)[*:1]
CC(C)[C@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)[C@H](CO)NS(=O)(=O)c1cccc(c1)[*:1]
Cc1nc(C2CC2)nc2sc(C(=O)N[C@H](C)c3cc4ccccc4o3)c(C)c12 c1ccc2oc(cc2c1)[*:1] Cc1nc(nc2sc(C(=O)N[C@H](C)[*:1])c(C)c12)C1CC1
Cc1nc(C2CC2)nc2sc(C(=O)N[C@H](C)c3cc4ccccc4o3)c(C)c12 C1CC1[*:1] Cc1nc(nc2sc(C(=O)N[C@H](C)c3cc4ccccc4o3)c(C)c12)[*:1]
CC(=O)c1cccc(NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)c1 CC(=O)[*:1] C[C@@]1(Oc2ccccc2NC1=O)C(=O)Nc1cccc(c1)[*:1]
O=C([O-])c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])c1c(F)c(F)c(F)c(F)c1F
CCOc1ccccc1C[NH2+][C@H](C)c1nc2ccccc2n1C CCO[*:1] C[C@@H]([NH2+]Cc1ccccc1[*:1])c1nc2ccccc2n1C
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C([C@@H](Cc1ccccc1)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)c1ccccc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C([C@@H](Cc1ccccc1)NC(=O)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@H](C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)[*:1])c1ccccc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 FC(F)(F)[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)c1cccc(c1)[*:1])c1ccccc1
O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 FC(F)(F)c1cccc(c1)[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)[*:1])c1ccccc1
COc1ccccc1[C@H](C)NC(=O)N[C@H](CO)c1ccc(Cl)cc1 COc1ccccc1[*:1] C[C@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)[*:1]
COc1ccccc1[C@H](C)NC(=O)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccccc1[C@H](C)NC(=O)N[C@H](CO)[*:1]
Cn1cc[nH+]c1[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 FC(F)(F)[*:1] Cn1cc[nH+]c1[C@@H](NCc1cccc(c1)[*:1])c1ccc(F)cc1
Cn1cc[nH+]c1[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1cc[nH+]c1[C@@H](NCc1cccc(c1)C(F)(F)F)[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1 C=CC[*:1] CC(=O)c1ccc(cc1)[N-]S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1 CC(=O)[*:1] C=CCNC(=O)c1cccc(c1)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1 C=CCNC(=O)[*:1] CC(=O)c1ccc(cc1)[N-]S(=O)(=O)c1cccc(c1)[*:1]
COC(=O)CC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 CN(C)[*:1] COC(=O)CC1CC[NH+](CC1)Cc1cnc(s1)[*:1]
COC(=O)CC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 COC(=O)C[*:1] CN(C)c1ncc(C[NH+]2CCC(CC2)[*:1])s1
COC(=O)CC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 COC(=O)[*:1] CN(C)c1ncc(C[NH+]2CCC(CC2)C[*:1])s1
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(C#N)cc2)NC(=O)N1C1CC1 C1CC1[*:1] CC1=C(C(=O)N2CCOCC2)[C@@H](NC(=O)N1[*:1])c1ccc(C#N)cc1
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(C#N)cc2)NC(=O)N1C1CC1 N#Cc1ccc(cc1)[*:1] CC1=C(C(=O)N2CCOCC2)[C@H](NC(=O)N1C1CC1)[*:1]
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(C#N)cc2)NC(=O)N1C1CC1 O=C(N1CCOCC1)[*:1] CC1=C([C@@H](NC(=O)N1C1CC1)c1ccc(C#N)cc1)[*:1]
Cc1cc(CN2CCN(C(=O)c3cnn(-c4ccccn4)c3C)CC2)no1 c1ccc(nc1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)c2cnn(c2C)[*:1])no1
Cc1cc(CN2CCN(C(=O)c3cnn(-c4ccccn4)c3C)CC2)no1 Cc1cc(C[*:1])no1 Cc1c(cnn1-c1ccccn1)C(=O)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(C(=O)c3cnn(-c4ccccn4)c3C)CC2)no1 Cc1cc(no1)[*:1] Cc1c(cnn1-c1ccccn1)C(=O)N1CCN(CC1)C[*:1]
O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 C1CC1[*:1] O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cnn(-c2nccc(n2)-c2ccco2)c1[*:1]
O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 c1coc(c1)[*:1] O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cnn(-c2nccc(n2)[*:1])c1C1CC1
O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 FC(F)(F)[*:1] O=C(N[C@@H](c1cccnc1)[*:1])c1cnn(-c2nccc(n2)-c2ccco2)c1C1CC1
O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 c1coc(c1)-c1ccnc(n1)[*:1] O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cnn(c1C1CC1)[*:1]
O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 c1cncc(c1)[*:1] O=C(N[C@@H](C(F)(F)F)[*:1])c1cnn(-c2nccc(n2)-c2ccco2)c1C1CC1
C[NH+](C)CCN(C(=O)[C@H]1CCOc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)CCN(C(=O)[C@H]1CCOc2ccccc21)[*:1]
CCOc1ccc2ccccc2c1C(=O)Nn1cnc2c(cnn2-c2ccc(C)cc2)c1=O CCO[*:1] Cc1ccc(cc1)-n1ncc2c(=O)n(cnc21)NC(=O)c1c(ccc2ccccc12)[*:1]
CCOc1ccc2ccccc2c1C(=O)Nn1cnc2c(cnn2-c2ccc(C)cc2)c1=O Cc1ccc(cc1)[*:1] CCOc1ccc2ccccc2c1C(=O)Nn1cnc2c(cnn2[*:1])c1=O
CCN(Cc1ccc(OC)cc1)C(=O)NCCn1c(C)nc2ccccc21 COc1ccc(cc1)[*:1] CCN(C[*:1])C(=O)NCCn1c(C)nc2ccccc21
CCN(Cc1ccc(OC)cc1)C(=O)NCCn1c(C)nc2ccccc21 COc1ccc(cc1)C[*:1] CCN(C(=O)NCCn1c(C)nc2ccccc21)[*:1]
CC(C)c1ccc(N2CCN(C(=O)C3CCC3)[C@H](C)C2=O)cc1 C1CC(C1)[*:1] CC(C)c1ccc(cc1)N1CCN(C(=O)[*:1])[C@H](C)C1=O
CC(C)c1ccc(N2CCN(C(=O)C3CCC3)[C@H](C)C2=O)cc1 CC(C)[*:1] C[C@@H]1C(=O)N(CCN1C(=O)C1CCC1)c1ccc(cc1)[*:1]
CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N[C@@H]2CCc3ccccc32)C1 c1ccc(nc1)[*:1] CC(=O)N1CCc2c(C1)nc(nc2N[C@@H]1CCc2ccccc21)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)C1 NC(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CN1Cc2ccccc2C[C@@H]1[*:1]
COC(=O)[C@]1(c2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 COC(=O)[*:1] O=C1[C@H]2[C@H](C(=O)N1c1ccccc1F)[C@@]([NH2+][C@H]2c1cccs1)(c1ccccc1)[*:1]
COC(=O)[C@]1(c2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 Fc1ccccc1[*:1] COC(=O)[C@@]1([NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1])c1ccccc1
COC(=O)[C@]1(c2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 c1csc(c1)[*:1] COC(=O)[C@@]1([NH2+][C@@H]([C@H]2C(=O)N(C(=O)[C@@H]21)c1ccccc1F)[*:1])c1ccccc1
COC(=O)[C@]1(c2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 c1ccc(cc1)[*:1] COC(=O)[C@@]1([NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(C(=O)[C@@H]21)c1ccccc1F)[*:1]
O=C([O-])C[C@H]1CN(C(=O)c2sccc2Br)CCO1 O=C([O-])[*:1] O=C(c1sccc1Br)N1CCO[C@H](C1)C[*:1]
O=C([O-])C[C@H]1CN(C(=O)c2sccc2Br)CCO1 O=C([O-])C[*:1] O=C(c1sccc1Br)N1CCO[C@H](C1)[*:1]
O=C([O-])C[C@H]1CN(C(=O)c2sccc2Br)CCO1 Brc1ccsc1[*:1] O=C([O-])C[C@H]1CN(CCO1)C(=O)[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CC(C)CC[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)NC[C@@](C)(O)[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CC(C)C[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)NC[C@](C)(O)C[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CC(C)[*:1] CC(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CC(C)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)NC[C@](C)(O)CC[*:1]
COC(=O)[C@H](NC(=O)c1cccc(F)c1)c1ccc(Cl)c(F)c1 COC(=O)[*:1] O=C(N[C@H](c1ccc(Cl)c(F)c1)[*:1])c1cccc(F)c1
COC(=O)[C@H](NC(=O)c1cccc(F)c1)c1ccc(Cl)c(F)c1 Fc1cccc(c1)[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(Cl)c(F)c1
Cc1nn(CCO)c(C)c1CN[C@H]1CC[C@@H]([NH+](C)C)C1 OCC[*:1] Cc1nn(c(C)c1CN[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
CS(=O)(=O)CCN1CC(=O)CC1=O CS(=O)(=O)[*:1] O=C1CC(=O)N(CC[*:1])C1
Cc1ccc(N2CC[C@H](C(=O)NCC[C@@H](O)c3ccccc3)C2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N1CC[C@H](C(=O)NCC[C@@H](O)[*:1])C1=O
Cc1ccc(N2CC[C@H](C(=O)NCC[C@@H](O)c3ccccc3)C2=O)cc1C O[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1C)N1CC[C@H](C(=O)NCC[*:1])C1=O
Cc1ccc(N2CC[C@H](C(=O)NCC[C@@H](O)c3ccccc3)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NCC[C@@H](O)c1ccccc1)[C@H]1CCN(C1=O)[*:1]
Cc1ccc(N2CC[C@H](C(=O)NCC[C@@H](O)c3ccccc3)C2=O)cc1C O[C@H](C[*:1])c1ccccc1 Cc1ccc(cc1C)N1CC[C@H](C(=O)NC[*:1])C1=O
Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)NC(C)C)C2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)CN1C(=O)C(=NC12CCCCC2)[*:1]
Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)NC(C)C)C2=O)cc1 CC(C)NC(=O)C[*:1] Cc1ccc(cc1)C1=NC2(CCCCC2)N(C1=O)[*:1]
Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)NC(C)C)C2=O)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)C1=NC2(CCCCC2)N(C[*:1])C1=O
Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)NC(C)C)C2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)C1=NC2(CCCCC2)N(CC(=O)N[*:1])C1=O
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]n1 CC(C)CC[*:1] O=C(N[C@@H]1CCCC[C@H]1O[*:1])c1cc[nH]n1
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]n1 c1cc(n[nH]1)[*:1] CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)[*:1]
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]n1 CC(C)C[*:1] O=C(N[C@@H]1CCCC[C@H]1OC[*:1])c1cc[nH]n1
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]n1 CC(C)[*:1] O=C(N[C@@H]1CCCC[C@H]1OCC[*:1])c1cc[nH]n1
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]n1 CC(C)CCO[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])c1cc[nH]n1
Cc1cc(CNC(=O)CN2CC[NH+](Cc3ccccn3)CC2)ccc1F c1ccc(nc1)[*:1] Cc1cc(ccc1F)CNC(=O)CN1CC[NH+](CC1)C[*:1]
Cc1cc(CNC(=O)CN2CC[NH+](Cc3ccccn3)CC2)ccc1F Cc1cc(ccc1F)[*:1] O=C(CN1CC[NH+](CC1)Cc1ccccn1)NC[*:1]
Cc1cc(CNC(=O)CN2CC[NH+](Cc3ccccn3)CC2)ccc1F c1ccc(C[*:1])nc1 Cc1cc(ccc1F)CNC(=O)CN1CC[NH+](CC1)[*:1]
Cc1c(S(=O)(=O)N[C@@H](C)c2ccccc2)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)S(=O)(=O)N[C@@H](C)[*:1]
CCCCCC(C)(C)CNC(=O)c1cccc2[nH]ccc12 CCCCC[*:1] CC(C)(CNC(=O)c1cccc2[nH]ccc12)[*:1]
CCCCCC(C)(C)CNC(=O)c1cccc2[nH]ccc12 CCC[*:1] CC(C)(CC[*:1])CNC(=O)c1cccc2[nH]ccc12
CCCCCC(C)(C)CNC(=O)c1cccc2[nH]ccc12 CCCC[*:1] CC(C)(CNC(=O)c1cccc2[nH]ccc12)C[*:1]
C[C@H]1C[C@@H]1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O C[C@H]1C[C@@H]1C(=O)O[*:1] Cn1c(N)c(C(=O)C[*:1])c(=O)n(C)c1=O
CCONC(=O)c1sc2nc(CC)nc(C)c2c1C CCONC(=O)[*:1] CCc1nc(C)c2c(C)c(sc2n1)[*:1]
CC/C=C(/C)C(=O)Nc1ccccc1C(=O)Nc1cccc(OC)c1 CCC=C(C)[*:1] COc1cccc(c1)NC(=O)c1ccccc1NC(=O)[*:1]
CC/C=C(/C)C(=O)Nc1ccccc1C(=O)Nc1cccc(OC)c1 CC/C=C(/C)C(=O)N[*:1] COc1cccc(c1)NC(=O)c1ccccc1[*:1]
CC/C=C(/C)C(=O)Nc1ccccc1C(=O)Nc1cccc(OC)c1 COc1cccc(c1)[*:1] CC/C=C(/C)C(=O)Nc1ccccc1C(=O)N[*:1]
CCOc1ccc(C(=O)NNc2cc(C#N)cc(Cl)n2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)NNc1cc(C#N)cc(Cl)n1
CC(C)N(CCCC(=O)[O-])c1cc(Cl)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)N(CCCC(=O)[O-])c1cc(Cl)c(Cl)cc1[*:1]
CC(C)N(CCCC(=O)[O-])c1cc(Cl)c(Cl)cc1[N+](=O)[O-] O=C([O-])C[*:1] CC(C)N(CC[*:1])c1cc(Cl)c(Cl)cc1[N+](=O)[O-]
CC(C)N(CCCC(=O)[O-])c1cc(Cl)c(Cl)cc1[N+](=O)[O-] O=C([O-])[*:1] CC(C)N(CCC[*:1])c1cc(Cl)c(Cl)cc1[N+](=O)[O-]
CC(C)N(CCCC(=O)[O-])c1cc(Cl)c(Cl)cc1[N+](=O)[O-] CC(C)[*:1] O=C([O-])CCCN(c1cc(Cl)c(Cl)cc1[N+](=O)[O-])[*:1]
CC(C)N(CCCC(=O)[O-])c1cc(Cl)c(Cl)cc1[N+](=O)[O-] O=C([O-])CC[*:1] CC(C)N(C[*:1])c1cc(Cl)c(Cl)cc1[N+](=O)[O-]
CC(C)N(CCCC(=O)[O-])c1cc(Cl)c(Cl)cc1[N+](=O)[O-] O=C([O-])CCC[*:1] CC(C)N(c1cc(Cl)c(Cl)cc1[N+](=O)[O-])[*:1]
COC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 FC(F)[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1cc(C#N)ccc1O[*:1]
COC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 FC(F)O[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1cc(C#N)ccc1[*:1]
COC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 COC(=O)[*:1] N#Cc1ccc(OC(F)F)c(c1)NC(=O)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)NCCC(=O)N(C)C)cc1 CC(C)[*:1] CN(C)C(=O)CCNC(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)NCCC(=O)N(C)C)cc1 CC(C)C(=O)N[*:1] CN(C)C(=O)CCNC(=O)Nc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)NCCC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)NCC[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)NCCC(=O)N(C)C)cc1 CN(C)C(=O)C[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)NC[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)NCCC(=O)N(C)C)cc1 CN(C)C(=O)CC[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)N[*:1]
OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2ccccc2)C1 Fc1ccccc1[*:1] OC1C[C@@H](c2ccccc2)c2ncn(c2N=1)[*:1]
OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] OC1C[C@@H](c2ncn(-c3ccccc3F)c2N=1)[*:1]
C[C@H](NCc1[nH+]ccn1C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](NCc1[nH+]ccn1C)c1cccc(c1)[*:1]
Brc1ccc(-n2cc(-c3ccncn3)cn2)cc1 c1cc(ncn1)[*:1] Brc1ccc(cc1)-n1cc(cn1)[*:1]
CNC(=O)c1ccc(C[NH2+]CCC(=O)N2CCCCC2)cc1 CNC(=O)[*:1] O=C(CC[NH2+]Cc1ccc(cc1)[*:1])N1CCCCC1
CN1C[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 O=[N+]([O-])[*:1] CN1C[C@@H](c2ccc(Cl)c(c2)[*:1])[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12
CN1C[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 O=[N+]([O-])c1cc(ccc1Cl)[*:1] CN1C[C@@H]([C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12)[*:1]
CC(C)CC1(c2onc(N)c2I)CCCC1 CC(C)C[*:1] Nc1noc(c1I)C1(CCCC1)[*:1]
CC(C)CC1(c2onc(N)c2I)CCCC1 CC(C)[*:1] Nc1noc(c1I)C1(CCCC1)C[*:1]
O=C(NCCCC(=O)N1CCC[C@H]1c1cccs1)c1ccsc1 c1cc(cs1)[*:1] O=C(CCCNC(=O)[*:1])N1CCC[C@H]1c1cccs1
O=C(NCCCC(=O)N1CCC[C@H]1c1cccs1)c1ccsc1 c1csc(c1)[*:1] O=C(NCCCC(=O)N1CCC[C@@H]1[*:1])c1ccsc1
CNC(=O)c1ccc(N)cc1Cl CNC(=O)[*:1] Nc1ccc(c(Cl)c1)[*:1]
CCCCOc1ccccc1-c1cc(C(=O)N[C@H]2CCc3ccccc32)[nH]n1 CCCC[*:1] O=C(N[C@H]1CCc2ccccc21)c1cc(n[nH]1)-c1ccccc1O[*:1]
CCCCOc1ccccc1-c1cc(C(=O)N[C@H]2CCc3ccccc32)[nH]n1 CCC[*:1] O=C(N[C@H]1CCc2ccccc21)c1cc(n[nH]1)-c1ccccc1OC[*:1]
CCCCOc1ccccc1-c1cc(C(=O)N[C@H]2CCc3ccccc32)[nH]n1 CCCCO[*:1] O=C(N[C@H]1CCc2ccccc21)c1cc(n[nH]1)-c1ccccc1[*:1]
Cc1csc([C@H]2CCCN(Cc3ccc(Cl)o3)C2)n1 Cc1csc(n1)[*:1] Clc1ccc(CN2CCC[C@@H](C2)[*:1])o1
Cc1csc([C@H]2CCCN(Cc3ccc(Cl)o3)C2)n1 Clc1ccc(o1)[*:1] Cc1csc(n1)[C@H]1CCCN(C1)C[*:1]
O=C([O-])C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CCO1 O=C([O-])[*:1] FC(F)(F)c1ccnc(c1)N1CCO[C@@H](C1)C[*:1]
O=C([O-])C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CCO1 FC(F)(F)[*:1] O=C([O-])C[C@@H]1CN(CCO1)c1cc(ccn1)[*:1]
O=C([O-])C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CCO1 O=C([O-])C[*:1] FC(F)(F)c1ccnc(c1)N1CCO[C@@H](C1)[*:1]
NC(=O)NCC(=O)NC1CCC([NH+]2CCCCC2)CC1 NC(=O)N[*:1] O=C(C[*:1])NC1CCC(CC1)[NH+]1CCCCC1
NC(=O)NCC(=O)NC1CCC([NH+]2CCCCC2)CC1 NC(=O)NC[*:1] O=C(NC1CCC(CC1)[NH+]1CCCCC1)[*:1]
CCCOC(=O)c1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1 CCC[*:1] Cc1cc2nn(nc2c(Br)c1N)-c1ccc(cc1)C(=O)O[*:1]
CCCOC(=O)c1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1 CCCOC(=O)[*:1] Cc1cc2nn(nc2c(Br)c1N)-c1ccc(cc1)[*:1]
Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 C1CCc2nnc(n2CC1)[*:1] Cc1ccc(cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1)[*:1]
Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[C@H]1CCCN1C(=O)[*:1])-c1nnc2CCCCCn21
CCN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@H](C)COC COC[C@@H](C)[*:1] CCN(c1ccc(C#N)c(c1)[N+](=O)[O-])[*:1]
CCN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@H](C)COC COC[*:1] CCN(c1ccc(C#N)c(c1)[N+](=O)[O-])[C@H](C)[*:1]
CCN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@H](C)COC O=[N+]([O-])[*:1] CCN(c1ccc(C#N)c(c1)[*:1])[C@H](C)COC
O=c1[nH]c(Cc2cccs2)nc2sc(-c3ccccc3)cc12 c1ccc(cc1)[*:1] O=c1[nH]c(Cc2cccs2)nc2sc(cc12)[*:1]
O=c1[nH]c(Cc2cccs2)nc2sc(-c3ccccc3)cc12 c1csc(c1)C[*:1] O=c1[nH]c(nc2sc(cc12)-c1ccccc1)[*:1]
O=c1[nH]c(Cc2cccs2)nc2sc(-c3ccccc3)cc12 c1csc(c1)[*:1] O=c1[nH]c(C[*:1])nc2sc(cc12)-c1ccccc1
CC(C)c1ccc(/C=C\C(=O)NCCCC(N)=O)cc1 NC(=O)[*:1] CC(C)c1ccc(/C=C\C(=O)NCCC[*:1])cc1
CC(C)c1ccc(/C=C\C(=O)NCCCC(N)=O)cc1 NC(=O)CC[*:1] CC(C)c1ccc(/C=C\C(=O)NC[*:1])cc1
CC(C)c1ccc(/C=C\C(=O)NCCCC(N)=O)cc1 NC(=O)CCC[*:1] CC(C)c1ccc(/C=C\C(=O)N[*:1])cc1
CC(C)c1ccc(/C=C\C(=O)NCCCC(N)=O)cc1 NC(=O)C[*:1] CC(C)c1ccc(/C=C\C(=O)NCC[*:1])cc1
CC(C)c1ccc(/C=C\C(=O)NCCCC(N)=O)cc1 CC(C)[*:1] NC(=O)CCCNC(=O)/C=C\c1ccc(cc1)[*:1]
O=C(CCn1cccn1)N1CCC[NH+](Cc2cccs2)CC1 c1csc(c1)[*:1] O=C(CCn1cccn1)N1CCC[NH+](CC1)C[*:1]
O=C(CCn1cccn1)N1CCC[NH+](Cc2cccs2)CC1 c1cnn(c1)[*:1] O=C(CC[*:1])N1CCC[NH+](CC1)Cc1cccs1
O=C(CCn1cccn1)N1CCC[NH+](Cc2cccs2)CC1 c1cnn(c1)CC[*:1] O=C(N1CCC[NH+](CC1)Cc1cccs1)[*:1]
O=C(CCn1cccn1)N1CCC[NH+](Cc2cccs2)CC1 c1cnn(c1)C[*:1] O=C(C[*:1])N1CCC[NH+](CC1)Cc1cccs1
O=C(CCn1cccn1)N1CCC[NH+](Cc2cccs2)CC1 c1csc(c1)C[*:1] O=C(CCn1cccn1)N1CCC[NH+](CC1)[*:1]
CC1(C)[C@@H](C(=O)[O-])CC[C@@]1(C)C(N)=O O=C([O-])[*:1] CC1(C)[C@@H](CC[C@@]1(C)C(N)=O)[*:1]
CC1(C)[C@@H](C(=O)[O-])CC[C@@]1(C)C(N)=O NC(=O)[*:1] CC1(C)[C@H](CC[C@]1(C)[*:1])C(=O)[O-]
Cc1ccc(C)c(CC(=O)Nc2cnn(C)c2-c2ccccn2)c1 c1ccc(nc1)[*:1] Cc1ccc(C)c(c1)CC(=O)Nc1cnn(C)c1[*:1]
Cc1ccc(C)c(CC(=O)Nc2cnn(C)c2-c2ccccn2)c1 Cc1ccc(C)c(c1)[*:1] Cn1ncc(NC(=O)C[*:1])c1-c1ccccn1
COCCO[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 COCC[*:1] C[C@H](O[*:1])C(=O)Nc1cccc(c1)-c1nnn[n-]1
COCCO[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 COCCO[*:1] C[C@@H](C(=O)Nc1cccc(c1)-c1nnn[n-]1)[*:1]
COCCO[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 COC[*:1] C[C@H](OC[*:1])C(=O)Nc1cccc(c1)-c1nnn[n-]1
COCCO[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 COCCO[C@@H](C)[*:1] O=C(Nc1cccc(c1)-c1nnn[n-]1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](OC(=O)c2scnc2C2CC2)C1 CS(=O)(=O)[*:1] O=C(O[C@@H]1CCC[C@@H](C1)[*:1])c1scnc1C1CC1
CS(=O)(=O)[C@H]1CCC[C@@H](OC(=O)c2scnc2C2CC2)C1 C1CC1[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)OC(=O)c1scnc1[*:1]
C[C@H](NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] C[C@@H](Sc1ccc(cn1)S(=O)(=O)N1CCCC1)C(=O)N[*:1]
C[C@H](NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc(F)cc1 O=S(=O)(N1CCCC1)[*:1] C[C@H](NC(=O)[C@@H](C)Sc1ccc(cn1)[*:1])c1ccc(F)cc1
C[C@H](NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)Sc1ccc(cn1)S(=O)(=O)N1CCCC1)[*:1]
O=c1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)o2)n[nH]1 c1coc(c1)[*:1] O=c1ccc(n[nH]1)-c1ccc(o1)S(=O)(=O)NC[*:1]
O=c1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)o2)n[nH]1 c1coc(c1)C[*:1] O=c1ccc(n[nH]1)-c1ccc(o1)S(=O)(=O)N[*:1]
O=c1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)o2)n[nH]1 O=c1ccc(n[nH]1)[*:1] O=S(=O)(NCc1ccco1)c1ccc(o1)[*:1]
CC(C)OC(=O)N1CCC(OC(=O)n2ccnc2)CC1 CC(C)[*:1] O=C(O[*:1])N1CCC(CC1)OC(=O)n1ccnc1
Cc1cc(F)ccc1NC(=O)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)CO[*:1] Cc1cc(F)ccc1NC(=O)Nc1ccc(cc1)[*:1]
Cc1cc(F)ccc1NC(=O)Nc1ccc(OCC2CCOCC2)cc1 Cc1cc(F)ccc1[*:1] O=C(Nc1ccc(cc1)OCC1CCOCC1)N[*:1]
Cc1cc(F)ccc1NC(=O)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)C[*:1] Cc1cc(F)ccc1NC(=O)Nc1ccc(cc1)O[*:1]
Cc1cc(F)ccc1NC(=O)Nc1ccc(OCC2CCOCC2)cc1 C1CC(CCO1)[*:1] Cc1cc(F)ccc1NC(=O)Nc1ccc(cc1)OC[*:1]
CC(=O)N1CCN(Cc2cc(N(C)[C@H](C)c3ccc(F)cc3)cc[nH+]2)CC1 C[C@H](c1ccc(F)cc1)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N(C)[*:1]
CC(=O)N1CCN(Cc2cc(N(C)[C@H](C)c3ccc(F)cc3)cc[nH+]2)CC1 CC(=O)N1CCN(CC1)[*:1] C[C@H](c1ccc(F)cc1)N(C)c1cc[nH+]c(c1)C[*:1]
CC(=O)N1CCN(Cc2cc(N(C)[C@H](C)c3ccc(F)cc3)cc[nH+]2)CC1 Fc1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N(C)[C@H](C)[*:1]
Cc1c(C#N)c(NC(=O)CSc2nccn2C)n(C2CCCC2)c1C Cn1ccnc1SC[*:1] Cc1c(C#N)c(NC(=O)[*:1])n(c1C)C1CCCC1
Cc1c(C#N)c(NC(=O)CSc2nccn2C)n(C2CCCC2)c1C Cn1ccnc1S[*:1] Cc1c(C#N)c(NC(=O)C[*:1])n(c1C)C1CCCC1
Cc1c(C#N)c(NC(=O)CSc2nccn2C)n(C2CCCC2)c1C Cn1ccnc1[*:1] Cc1c(C#N)c(NC(=O)CS[*:1])n(c1C)C1CCCC1
Cc1c(C#N)c(NC(=O)CSc2nccn2C)n(C2CCCC2)c1C C1CCC(C1)[*:1] Cc1c(C#N)c(NC(=O)CSc2nccn2C)n(c1C)[*:1]
CC(=O)NCCc1ccc([C@@H](C)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1 CC(=O)NC[*:1] C[C@@H](N[C@H]1CC[C@@H](C1)[NH+](C)C)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc([C@@H](C)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1 CC(=O)N[*:1] C[C@@H](N[C@H]1CC[C@@H](C1)[NH+](C)C)c1ccc(cc1)CC[*:1]
CC(=O)NCCc1ccc([C@@H](C)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1 CC(=O)NCC[*:1] C[C@@H](N[C@H]1CC[C@@H](C1)[NH+](C)C)c1ccc(cc1)[*:1]
O=C(NCc1ccccc1OC(F)F)NOC1CCCC1 C1CCC(C1)[*:1] O=C(NCc1ccccc1OC(F)F)NO[*:1]
O=C(NCc1ccccc1OC(F)F)NOC1CCCC1 FC(F)[*:1] O=C(NCc1ccccc1O[*:1])NOC1CCCC1
O=C(NCc1ccccc1OC(F)F)NOC1CCCC1 FC(F)O[*:1] O=C(NCc1ccccc1[*:1])NOC1CCCC1
COc1cc(NC(=O)C(=O)NCc2ccccc2F)cc(OC)c1 Fc1ccccc1[*:1] COc1cc(cc(c1)OC)NC(=O)C(=O)NC[*:1]
COc1cc(NC(=O)C(=O)NCc2ccccc2F)cc(OC)c1 Fc1ccccc1C[*:1] COc1cc(cc(c1)OC)NC(=O)C(=O)N[*:1]
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1Cc1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1C[*:1]
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1Cc1ccccc1 Fc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccccc1Cc1ccccc1
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1Cc1ccccc1 c1ccc(cc1)C[*:1] CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1[*:1]
CCOCC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCOCC(=O)N/N=C(/C)c1ccc(cc1)[*:1]
CCOCC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1 CCOC[*:1] C/C(=N/NC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
CCOCC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1 CCO[*:1] C/C(=N/NC(=O)C[*:1])c1ccc(cc1)[N+](=O)[O-]
C[C@H]1CCCN(C(=O)Nc2nn(C)cc2S(N)(=O)=O)C1 NS(=O)(=O)[*:1] C[C@H]1CCCN(C1)C(=O)Nc1nn(C)cc1[*:1]
O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cccc2ccccc12 c1ccc(cc1)[*:1] O=C(NCCn1cnc(cc1=O)[*:1])c1cccc2ccccc12
CN(Cc1ccoc1)C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] c1cc(co1)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-]
CN(Cc1ccoc1)C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] CN(Cc1ccoc1)C(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
CN(Cc1ccoc1)C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] c1cc(co1)C[*:1] CN(C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-])[*:1]
Cc1ccc(CN(C(=O)[C@H]2CC[C@@H](C[NH3+])O2)C2CC2)cc1 Cc1ccc(cc1)[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)N(C[*:1])C1CC1
Cc1ccc(CN(C(=O)[C@H]2CC[C@@H](C[NH3+])O2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)CN(C(=O)[C@H]1CC[C@@H](C[NH3+])O1)[*:1]
C[C@H](O)c1cccc(OCc2ncc(-c3ccc(F)cc3)o2)c1 C[C@H](O)[*:1] Fc1ccc(cc1)-c1cnc(COc2cccc(c2)[*:1])o1
C[C@H](O)c1cccc(OCc2ncc(-c3ccc(F)cc3)o2)c1 Fc1ccc(cc1)[*:1] C[C@H](O)c1cccc(c1)OCc1ncc(o1)[*:1]
COCCn1nnnc1[C@@H]1CN(C(=O)CN2CCCCC2=O)CCO1 O=C1CCCCN1[*:1] COCCn1nnnc1[C@@H]1CN(CCO1)C(=O)C[*:1]
COCCn1nnnc1[C@@H]1CN(C(=O)CN2CCCCC2=O)CCO1 COC[*:1] O=C1CCCCN1CC(=O)N1CCO[C@@H](C1)c1nnnn1C[*:1]
COCCn1nnnc1[C@@H]1CN(C(=O)CN2CCCCC2=O)CCO1 COCC[*:1] O=C1CCCCN1CC(=O)N1CCO[C@@H](C1)c1nnnn1[*:1]
COCCn1nnnc1[C@@H]1CN(C(=O)CN2CCCCC2=O)CCO1 O=C1CCCCN1C[*:1] COCCn1nnnc1[C@@H]1CN(CCO1)C(=O)[*:1]
CN(C)c1cc[nH+]c(NC[C@@H]2CN3CCCC[C@@H]3CO2)n1 CN(C)[*:1] c1cc(nc(NC[C@@H]2CN3CCCC[C@@H]3CO2)[nH+]1)[*:1]
CCOc1ccc(N)cc1C[NH+](CC)Cc1ccccn1 c1ccc(C[*:1])nc1 CCOc1ccc(N)cc1C[NH+](CC)[*:1]
CCOc1ccc(N)cc1C[NH+](CC)Cc1ccccn1 CCO[*:1] CC[NH+](Cc1ccccn1)Cc1cc(N)ccc1[*:1]
CCOc1ccc(N)cc1C[NH+](CC)Cc1ccccn1 c1ccc(nc1)[*:1] CCOc1ccc(N)cc1C[NH+](CC)C[*:1]
CC(C)NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl CC(C)[*:1] C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[*:1]
CCc1ccc([C@H](C)NC(=O)NNc2ccccn2)cc1 c1ccc(nc1)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)NN[*:1]
COc1ccnc(N[C@H](C)CCCCl)n1 ClCC[*:1] COc1ccnc(n1)N[C@H](C)C[*:1]
COc1ccnc(N[C@H](C)CCCCl)n1 ClCCC[*:1] COc1ccnc(n1)N[C@H](C)[*:1]
C[C@H](C(=O)N(C)Cc1cccs1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)N(C)Cc1cccs1)[*:1]
C[C@H](C(=O)N(C)Cc1cccs1)c1ccsc1 c1csc(c1)[*:1] C[C@H](C(=O)N(C)C[*:1])c1ccsc1
CN(C)C(=O)CCNC(=O)C1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] CN(C)C(=O)CCNC(=O)C1CCN(CC1)C(=O)[*:1]
CN(C)C(=O)CCNC(=O)C1CCN(C(=O)c2ccoc2)CC1 CN(C)C(=O)[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)c1ccoc1
CN(C)C(=O)CCNC(=O)C1CCN(C(=O)c2ccoc2)CC1 CN(C)C(=O)CC[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccoc1
CN(C)C(=O)CCNC(=O)C1CCN(C(=O)c2ccoc2)CC1 CN(C)C(=O)C[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)c1ccoc1
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C)c(c1)[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 CCC[*:1] Cc1ccc(cc1NC(=O)c1ccco1)C(=O)N1CCC[C@H](C)[C@H]1[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C)c(c1)NC(=O)[*:1]
O=[N+]([O-])/C=C\c1ccc(Sc2ccc(Cl)cc2)cc1 O=[N+]([O-])C=C[*:1] Clc1ccc(cc1)Sc1ccc(cc1)[*:1]
O=[N+]([O-])/C=C\c1ccc(Sc2ccc(Cl)cc2)cc1 O=[N+]([O-])[*:1] Clc1ccc(cc1)Sc1ccc(C=C[*:1])cc1
CCC[C@@]1(Cc2nccs2)CCC[NH2+]1 CCC[*:1] c1csc(C[C@]2(CCC[NH2+]2)[*:1])n1
COCCc1noc(C[C@H](C)Cc2ccc(Cl)cc2)n1 COC[*:1] C[C@H](Cc1ccc(Cl)cc1)Cc1nc(C[*:1])no1
COCCc1noc(C[C@H](C)Cc2ccc(Cl)cc2)n1 COCC[*:1] C[C@H](Cc1ccc(Cl)cc1)Cc1nc(no1)[*:1]
CCC[NH2+][C@H](C(C)C)[C@H](C)CC(C)C CCC[*:1] CC(C)C[C@@H](C)[C@H]([NH2+][*:1])C(C)C
CCC[NH2+][C@H](C(C)C)[C@H](C)CC(C)C CC(C)[*:1] CCC[NH2+][C@H](C(C)C)[C@H](C)C[*:1]
CCC[NH2+][C@H](C(C)C)[C@H](C)CC(C)C CC(C)C[*:1] CCC[NH2+][C@H](C(C)C)[C@H](C)[*:1]
CCC[NH2+][C@H](C(C)C)[C@H](C)CC(C)C CC(C)[*:1] CCC[NH2+][C@H]([C@H](C)CC(C)C)[*:1]
O=C(CNC(=O)NCC#Cc1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)NCC#C[*:1])Nc1ccccc1
O=C(CNC(=O)NCC#Cc1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)NCC#Cc1ccccc1)N[*:1]
CC(=O)Nc1cc(NC(=O)c2cc(Br)ccc2OC(C)C)ccc1C CC(C)[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)c1cc(Br)ccc1O[*:1]
CC(=O)Nc1cc(NC(=O)c2cc(Br)ccc2OC(C)C)ccc1C CC(C)O[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)c1cc(Br)ccc1[*:1]
CC(=O)Nc1cc(NC(=O)c2cc(Br)ccc2OC(C)C)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cc(Br)ccc1OC(C)C
CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC[NH2+][C@@H]1CCN(C1)C(=O)O[*:1]
CC(C)S(=O)(=O)Cc1cccc(NC(=O)NC2[C@@H](C)CCC[C@@H]2C)c1 CC(C)S(=O)(=O)C[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cccc(c1)[*:1]
CC(C)S(=O)(=O)Cc1cccc(NC(=O)NC2[C@@H](C)CCC[C@@H]2C)c1 CC(C)S(=O)(=O)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cccc(c1)C[*:1]
CC(C)S(=O)(=O)Cc1cccc(NC(=O)NC2[C@@H](C)CCC[C@@H]2C)c1 CC(C)[*:1] C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cccc(c1)CS(=O)(=O)[*:1]
COc1ccccc1N1CCN(c2ncc3c(n2)C[C@@H](c2ccccc2Cl)CC3=O)CC1 COc1ccccc1[*:1] O=C1C[C@@H](Cc2nc(ncc21)N1CCN(CC1)[*:1])c1ccccc1Cl
COc1ccccc1N1CCN(c2ncc3c(n2)C[C@@H](c2ccccc2Cl)CC3=O)CC1 Clc1ccccc1[*:1] COc1ccccc1N1CCN(CC1)c1ncc2C(=O)C[C@H](Cc2n1)[*:1]
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[*:1])NC(=O)c1ccccc1
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)c1ccc(Cl)cc1)NC(=O)[*:1]
C[C@H]1CCC[C@H](CNS(=O)(=O)c2cn(C)cn2)C1 Cn1cnc(c1)[*:1] C[C@H]1CCC[C@H](CNS(=O)(=O)[*:1])C1
C[NH2+][C@H](c1cscc1C)[C@H]1CCOC2(CCC2)C1 Cc1cscc1[*:1] C[NH2+][C@H]([C@H]1CCOC2(CCC2)C1)[*:1]
CC[C@H](C)NC(=O)Nc1cc(-c2ccncc2)nn1C c1cc(ccn1)[*:1] CC[C@H](C)NC(=O)Nc1cc(nn1C)[*:1]
CC[C@H](C)NC(=O)Nc1cc(-c2ccncc2)nn1C CC[C@H](C)[*:1] Cn1nc(cc1NC(=O)N[*:1])-c1ccncc1
COc1ccc(CC(=O)N[C@H](CO)[C@H](O)c2ccc(N)cc2)cc1 Nc1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N[C@H](CO)[C@H](O)[*:1]
COc1ccc(CC(=O)N[C@H](CO)[C@H](O)c2ccc(N)cc2)cc1 COc1ccc(cc1)[*:1] Nc1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C[*:1]
CCc1onc(C)c1NC(=O)CN1C(=O)c2ccc(C)cc2C1=O CCc1onc(C)c1[*:1] Cc1ccc2C(=O)N(CC(=O)N[*:1])C(=O)c2c1
Cc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1SC(=C[*:1])C(=O)N1Cc1cccc2ccccc12
COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 COC(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCCCCC1
COc1ccc(NC(=O)c2ccc(S(N)(=O)=O)c(C)c2)c(Cl)c1 NS(=O)(=O)[*:1] COc1ccc(NC(=O)c2ccc(c(C)c2)[*:1])c(Cl)c1
CCOc1ccc(C(=O)c2cc(F)cc(F)c2)c(Br)c1 CCO[*:1] O=C(c1cc(F)cc(F)c1)c1ccc(cc1Br)[*:1]
CC(C)c1ccc([C@H](C[NH3+])[C@@H](O)C2C(C)(C)C2(C)C)cc1 CC(C)[*:1] CC1(C)C([C@H](O)[C@@H](C[NH3+])c2ccc(cc2)[*:1])C1(C)C
CC(C)c1ccc([C@H](C[NH3+])[C@@H](O)C2C(C)(C)C2(C)C)cc1 CC1(C)C(C1(C)C)[*:1] CC(C)c1ccc(cc1)[C@H](C[NH3+])[C@@H](O)[*:1]
O=C(c1cccc(S(=O)(=O)NCCc2cscn2)c1)N1CCCC1 c1nc(cs1)[*:1] O=C(c1cccc(c1)S(=O)(=O)NCC[*:1])N1CCCC1
O=C(c1cccc(S(=O)(=O)NCCc2cscn2)c1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(NCCc1cscn1)c1cccc(c1)[*:1]
O=C(c1cccc(S(=O)(=O)NCCc2cscn2)c1)N1CCCC1 c1nc(cs1)C[*:1] O=C(c1cccc(c1)S(=O)(=O)NC[*:1])N1CCCC1
O=C(c1cccc(S(=O)(=O)NCCc2cscn2)c1)N1CCCC1 c1nc(cs1)CC[*:1] O=C(c1cccc(c1)S(=O)(=O)N[*:1])N1CCCC1
COc1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-n3ccnc3C)nc2)cc1 Cc1nccn1[*:1] COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1ccc(nc1)[*:1]
COc1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-n3ccnc3C)nc2)cc1 COc1ccc(cc1)[*:1] Cc1nccn1-c1ccc(cn1)NC(=O)[C@H]1C[C@@H]1[*:1]
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@H](/N=C/c1cc(ccc1[O-])[N+](=O)[O-])[*:1]
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 O=[N+]([O-])[*:1] C[C@H](/N=C/c1cc(ccc1[O-])[*:1])c1ccccc1
CC(=O)Nc1cc(N[C@H](C(N)=O)c2ccccc2)ccc1Cl NC(=O)[*:1] CC(=O)Nc1cc(ccc1Cl)N[C@H](c1ccccc1)[*:1]
CC(=O)Nc1cc(N[C@H](C(N)=O)c2ccccc2)ccc1Cl CC(=O)N[*:1] NC(=O)[C@@H](Nc1ccc(Cl)c(c1)[*:1])c1ccccc1
CC(=O)Nc1cc(N[C@H](C(N)=O)c2ccccc2)ccc1Cl c1ccc(cc1)[*:1] CC(=O)Nc1cc(ccc1Cl)N[C@H](C(N)=O)[*:1]
NC(N)=NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 NC(N)=NS(=O)(=O)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccccc1
NC(N)=NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] NC(N)=NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCOC[C@H]1CO Fc1ccc(cc1)[*:1] Cn1nc(cc1C(=O)N1CCOC[C@H]1CO)[*:1]
O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N[*:1]
O=C(NC[C@@]1(O)CCSC1)c1ccc(Oc2cccnc2)cc1 c1cncc(c1)[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(cc1)O[*:1]
O=C(NC[C@@]1(O)CCSC1)c1ccc(Oc2cccnc2)cc1 c1cncc(c1)O[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(cc1)[*:1]
Cc1cc(NC(=O)Cn2cnc3ccsc3c2=O)c([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1cc(NC(=O)Cn2cnc3ccsc3c2=O)c(cc1C)[*:1]
CC1CC[NH+](CCNC(=O)c2ccc(-c3ccccc3F)s2)CC1 Fc1ccccc1[*:1] CC1CC[NH+](CCNC(=O)c2ccc(s2)[*:1])CC1
C[C@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@H](c3ccco3)[C@@H]21 c1coc(c1)[*:1] C[C@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@H]([C@@H]21)[*:1]
CCO[C@](C#Cc1ccccc1)(n1nnc2ccccc21)C(C)(C)O c1ccc(cc1)[*:1] CCO[C@](C#C[*:1])(n1nnc2ccccc21)C(C)(C)O
CCO[C@](C#Cc1ccccc1)(n1nnc2ccccc21)C(C)(C)O CC(C)(O)[*:1] CCO[C@](C#Cc1ccccc1)(n1nnc2ccccc21)[*:1]
CCO[C@](C#Cc1ccccc1)(n1nnc2ccccc21)C(C)(C)O C(#C[*:1])c1ccccc1 CCO[C@](n1nnc2ccccc21)(C(C)(C)O)[*:1]
CCO[C@](C#Cc1ccccc1)(n1nnc2ccccc21)C(C)(C)O CCO[*:1] CC(C)(O)[C@](C#Cc1ccccc1)(n1nnc2ccccc21)[*:1]
CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)[C@H]2CCO[C@@H]2C)C1 CC(C)[*:1] C[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)N[*:1]
CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)[C@H]2CCO[C@@H]2C)C1 CC(C)NC(=O)[*:1] C[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
Cc1c(C(=O)Nc2ccc3c(C)n[nH]c3c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[N+](=O)[O-])[*:1])C(=O)Nc1ccc2c(C)n[nH]c2c1
Cc1c(C(=O)Nc2ccc3c(C)n[nH]c3c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[*:1])[N+](=O)[O-])C(=O)Nc1ccc2c(C)n[nH]c2c1
O=[N+]([O-])c1cnn(CCCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 FC(F)(F)[*:1] O=[N+]([O-])c1cnn(c1)CCCc1nc(no1)-c1ccc(cc1)[*:1]
O=[N+]([O-])c1cnn(CCCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 O=[N+]([O-])[*:1] FC(F)(F)c1ccc(cc1)-c1noc(CCCn2cc(cn2)[*:1])n1
O=[N+]([O-])c1cnn(CCCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 O=[N+]([O-])c1cnn(c1)[*:1] FC(F)(F)c1ccc(cc1)-c1noc(CCC[*:1])n1
CC[C@H](C)c1ccc(NC(=O)OCCO)cc1 CC[C@H](C)[*:1] O=C(Nc1ccc(cc1)[*:1])OCCO
CC[C@H](C)c1ccc(NC(=O)OCCO)cc1 OCC[*:1] CC[C@H](C)c1ccc(cc1)NC(=O)O[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] C[C@H]1[C@@H](CCN1C(=O)N(C)[*:1])C(=O)[O-]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] C[C@H]1[C@@H](CCN1C(=O)N(C)CC[*:1])C(=O)[O-]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@H]1[C@@H](CCN1C(=O)N(C)C[*:1])C(=O)[O-]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)N(C)CCS(C)(=O)=O O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)N(C)CCS(C)(=O)=O)[*:1]
CCNC(=O)CN1CCN(C(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)CC1 CCNC(=O)C[*:1] CC1CC[NH+](CC1)Cc1ccc(o1)C(=O)N1CCN(CC1)[*:1]
CCNC(=O)CN1CCN(C(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)CC1 CCNC(=O)[*:1] CC1CC[NH+](CC1)Cc1ccc(o1)C(=O)N1CCN(CC1)C[*:1]
CC(=O)c1c[nH]c(C(=O)N(C)Cc2ccccc2Cl)c1 CC(=O)[*:1] CN(Cc1ccccc1Cl)C(=O)c1cc(c[nH]1)[*:1]
CC(C)Oc1cccnc1C(=O)Nc1cccc2cn[nH]c12 CC(C)[*:1] O=C(Nc1cccc2cn[nH]c12)c1ncccc1O[*:1]
CC(C)Oc1cccnc1C(=O)Nc1cccc2cn[nH]c12 CC(C)O[*:1] O=C(Nc1cccc2cn[nH]c12)c1ncccc1[*:1]
CN(C(=O)Cn1cnnn1)c1cccc2ncccc12 c1nnnn1C[*:1] CN(C(=O)[*:1])c1cccc2ncccc12
CN(C(=O)Cn1cnnn1)c1cccc2ncccc12 c1nnnn1[*:1] CN(C(=O)C[*:1])c1cccc2ncccc12
CCOc1ccc([N-]S(C)(=O)=O)cn1 CCO[*:1] CS(=O)(=O)[N-]c1ccc(nc1)[*:1]
Fc1ccc(C2=Nn3c(nnc3-c3ccccc3Br)SC2)cc1 Fc1ccc(cc1)[*:1] Brc1ccccc1-c1nnc2SCC(=Nn21)[*:1]
Fc1ccc(C2=Nn3c(nnc3-c3ccccc3Br)SC2)cc1 Brc1ccccc1[*:1] Fc1ccc(cc1)C1CSc2nnc(n2N=1)[*:1]
Cc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4)C3=O)n2)cc1 Cc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(Cc2nc(no2)[*:1])C1=O)c1ccc(Cl)cc1
Cc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4)C3=O)n2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(CN2C(=O)N[C@@](C)(C2=O)[*:1])n1
CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccncc2)c1 CCO[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2ccncc2)[C@H]1c1cccc(c1)[*:1]
CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccncc2)c1 CCOc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2ccncc2)[C@H]1[*:1]
CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccncc2)c1 Cc1ccc(cc1)[*:1] CCOc1cccc(c1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccncc1
CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccncc2)c1 Cc1ccc(cc1)C(=O)[*:1] CCOc1cccc(c1)[C@H]1C(=C([O-])C(=O)N1Cc1ccncc1)[*:1]
CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccncc2)c1 c1cc(ccn1)C[*:1] CCOc1cccc(c1)[C@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1[*:1]
CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccncc2)c1 c1cc(ccn1)[*:1] CCOc1cccc(c1)[C@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1C[*:1]
Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2C)cc1Cl Cc1ccc(cc1Cl)[*:1] C[C@H]1c2cccn2-c2ccccc2CN1C(=O)N[*:1]
O=S(=O)(C[C@@H]1CCOC1)N1CCOC[C@H]1C1CC1 C1C[C@H](CO1)[*:1] O=S(=O)(C[*:1])N1CCOC[C@H]1C1CC1
O=S(=O)(C[C@@H]1CCOC1)N1CCOC[C@H]1C1CC1 C1C[C@H](CO1)C[*:1] O=S(=O)(N1CCOC[C@H]1C1CC1)[*:1]
O=S(=O)(C[C@@H]1CCOC1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=S(=O)(C[C@@H]1CCOC1)N1CCOC[C@@H]1[*:1]
CCCN(C)S(=O)(=O)c1ccc(OC(C)C)cc1 CCC[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)N(C)[*:1]
CCCN(C)S(=O)(=O)c1ccc(OC(C)C)cc1 CC(C)[*:1] CCCN(C)S(=O)(=O)c1ccc(cc1)O[*:1]
CCCN(C)S(=O)(=O)c1ccc(OC(C)C)cc1 CC(C)O[*:1] CCCN(C)S(=O)(=O)c1ccc(cc1)[*:1]
O=Cc1cc(Cl)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 O=[N+]([O-])[*:1] O=Cc1cc(Cl)ccc1OCc1cc(cc2COCOc21)[*:1]
C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)[*:1]
C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)c(Cl)c1 c1ccc(cc1)[*:1] C[C@H](N[C@@H](C(=O)NC1CC1)[*:1])c1ccc(F)c(Cl)c1
C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)c(Cl)c1 O=C(NC1CC1)[*:1] C[C@H](N[C@@H](c1ccccc1)[*:1])c1ccc(F)c(Cl)c1
C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)c(Cl)c1 C1CC1[*:1] C[C@H](N[C@@H](C(=O)N[*:1])c1ccccc1)c1ccc(F)c(Cl)c1
CC[C@@H](CSC)N(C)C(=O)c1ccc(-c2ccccc2)[nH]c1=O CSC[*:1] CC[C@@H](N(C)C(=O)c1ccc([nH]c1=O)-c1ccccc1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] CC[C@@H](CSC)N(C)C(=O)c1ccc([nH]c1=O)[*:1]
O=C(CNC(=O)Cc1cccc(F)c1)NCc1nccc2ccccc12 Fc1cccc(c1)C[*:1] O=C(CNC(=O)[*:1])NCc1nccc2ccccc12
O=C(CNC(=O)Cc1cccc(F)c1)NCc1nccc2ccccc12 Fc1cccc(c1)[*:1] O=C(CNC(=O)C[*:1])NCc1nccc2ccccc12
CCS[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(F)cc2F)C1 CCS[*:1] CN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CC[C@H](C1)[*:1]
CC[C@@H](C)C1(O)C[C@@H](C)C[C@H](C)C1 CC[C@@H](C)[*:1] C[C@H]1C[C@H](C)CC(O)(C1)[*:1]
CC(C)C[NH2+]C[C@H](Cc1cccs1)c1ccccc1Cl c1csc(c1)C[*:1] CC(C)C[NH2+]C[C@H](c1ccccc1Cl)[*:1]
CC(C)C[NH2+]C[C@H](Cc1cccs1)c1ccccc1Cl c1csc(c1)[*:1] CC(C)C[NH2+]C[C@H](C[*:1])c1ccccc1Cl
CC(C)C[NH2+]C[C@H](Cc1cccs1)c1ccccc1Cl CC(C)[*:1] Clc1ccccc1[C@H](C[NH2+]C[*:1])Cc1cccs1
CC(C)C[NH2+]C[C@H](Cc1cccs1)c1ccccc1Cl CC(C)C[*:1] Clc1ccccc1[C@H](C[NH2+][*:1])Cc1cccs1
Cc1cc(C)cc(OCC(=O)Nc2ccc(O)cc2C(=O)[O-])c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1ccc(O)cc1[*:1]
Cc1ccc(CCNC(=O)[C@@H](C)S(=O)(=O)C(C)C)c(C)c1 CC(C)S(=O)(=O)[*:1] Cc1ccc(CCNC(=O)[C@@H](C)[*:1])c(C)c1
Cc1ccc(CCNC(=O)[C@@H](C)S(=O)(=O)C(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(CCNC(=O)[C@@H](C)S(=O)(=O)[*:1])c(C)c1
O=C(/C=C/c1c(Cl)nc2sccn12)NCc1ccco1 c1coc(c1)[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)NC[*:1]
O=C(/C=C/c1c(Cl)nc2sccn12)NCc1ccco1 c1coc(c1)C[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)N[*:1]
C=C(C)CN(CC)C(=O)CS(=O)(=O)c1ccc(F)c(F)c1 C=C(C)[*:1] CCN(C[*:1])C(=O)CS(=O)(=O)c1ccc(F)c(F)c1
C=C(C)CN(CC)C(=O)CS(=O)(=O)c1ccc(F)c(F)c1 C=C(C)C[*:1] CCN(C(=O)CS(=O)(=O)c1ccc(F)c(F)c1)[*:1]
CCN(C(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)C1CCN(CC1)C(=O)c1cccs1)[*:1]
CCN(C(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1C c1csc(c1)[*:1] CCN(C(=O)C1CCN(CC1)C(=O)[*:1])c1ccccc1C
C=CCN(CC(=O)[O-])C(=O)[C@@H]1Cc2ccccc21 O=C([O-])C[*:1] C=CCN(C(=O)[C@@H]1Cc2ccccc21)[*:1]
C=CCN(CC(=O)[O-])C(=O)[C@@H]1Cc2ccccc21 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)[C@@H]1Cc2ccccc21
C=CCN(CC(=O)[O-])C(=O)[C@@H]1Cc2ccccc21 C=CC[*:1] O=C([O-])CN(C(=O)[C@@H]1Cc2ccccc21)[*:1]
CC(C)[C@H](CCl)Nc1ccc2nccnc2n1 CC(C)[*:1] ClC[C@H](Nc1ccc2nccnc2n1)[*:1]
CSc1nnc2c(n1)O[C@H](c1ccco1)Nc1ccccc1-2 c1coc(c1)[*:1] CSc1nnc2-c3ccccc3N[C@@H](Oc2n1)[*:1]
NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)o2)c1 c1ccc(cc1)[*:1] NS(=O)(=O)c1cccc(c1)NC(=O)CSc1nnc(o1)[*:1]
NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)o2)c1 NS(=O)(=O)[*:1] O=C(CSc1nnc(o1)-c1ccccc1)Nc1cccc(c1)[*:1]
COc1ccc(OCCN2CCN(c3nccc(OC)n3)CC2)cc1 COc1ccnc(n1)[*:1] COc1ccc(cc1)OCCN1CCN(CC1)[*:1]
COc1ccc(OCCN2CCN(c3nccc(OC)n3)CC2)cc1 COc1ccc(cc1)[*:1] COc1ccnc(n1)N1CCN(CCO[*:1])CC1
CCc1cccc2sc(N(Cc3ccco3)C(=O)c3cccc(S(C)(=O)=O)c3)nc12 c1coc(c1)[*:1] CCc1cccc2sc(nc12)N(C[*:1])C(=O)c1cccc(c1)S(C)(=O)=O
CCc1cccc2sc(N(Cc3ccco3)C(=O)c3cccc(S(C)(=O)=O)c3)nc12 c1coc(c1)C[*:1] CCc1cccc2sc(nc12)N(C(=O)c1cccc(c1)S(C)(=O)=O)[*:1]
CCc1cccc2sc(N(Cc3ccco3)C(=O)c3cccc(S(C)(=O)=O)c3)nc12 CS(=O)(=O)[*:1] CCc1cccc2sc(nc12)N(Cc1ccco1)C(=O)c1cccc(c1)[*:1]
CCc1cccc2sc(N(Cc3ccco3)C(=O)c3cccc(S(C)(=O)=O)c3)nc12 CS(=O)(=O)c1cccc(c1)[*:1] CCc1cccc2sc(nc12)N(Cc1ccco1)C(=O)[*:1]
CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 NC(=O)CC[*:1] CCc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21)[*:1]
CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 NC(=O)C[*:1] CCc1cccc2c1NC(=O)[C@@]21N[C@@H](C[*:1])[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21
CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 c1ccc(cc1)[*:1] CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CC[*:1])C(=O)[C@H]21
CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 c1ccc(cc1)C[*:1] CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(C[*:1])C(=O)[C@H]21
CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 c1ccc(cc1)CC[*:1] CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(C(=O)[C@H]21)[*:1]
CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 NC(=O)[*:1] CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CC[*:1])[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21
O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 O=C(N1CCOCC1)[*:1] O=C(COc1ccccc1[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1ccc(Cl)c(c1)[*:1]
CN(Cc1cc2ccccc2o1)C(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] CN(Cc1cc2ccccc2o1)C(=O)c1ccc(cc1)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 O=C(N1CCCC1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](C)N1CCN(CC1)[C@@H](C)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 C[C@@H](C(=O)N1CCCC1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)[C@@H](C)N1CCN(CC1)[*:1]
CC/[NH+]=C(/NCCc1ncc(C)s1)N[C@H]1CCC(=O)N(C)C1 Cc1cnc(s1)[*:1] CC/[NH+]=C(/NCC[*:1])N[C@H]1CCC(=O)N(C)C1
CC/[NH+]=C(/NCCc1ncc(C)s1)N[C@H]1CCC(=O)N(C)C1 Cc1cnc(C[*:1])s1 CC/[NH+]=C(/NC[*:1])N[C@H]1CCC(=O)N(C)C1
Cc1nc2cc(C(=O)N3CCC[NH+](Cc4cccs4)CC3)ccc2[nH]1 c1csc(c1)C[*:1] Cc1nc2cc(ccc2[nH]1)C(=O)N1CCC[NH+](CC1)[*:1]
Cc1nc2cc(C(=O)N3CCC[NH+](Cc4cccs4)CC3)ccc2[nH]1 c1csc(c1)[*:1] Cc1nc2cc(ccc2[nH]1)C(=O)N1CCC[NH+](CC1)C[*:1]
Cc1ccc(Cn2nc(C)c(C(=O)NCCOc3ccccc3)c2Cl)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1nc(C)c(C(=O)NCCO[*:1])c1Cl
Cc1ccc(Cn2nc(C)c(C(=O)NCCOc3ccccc3)c2Cl)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)NCCOc1ccccc1
Cc1ccc(Cn2nc(C)c(C(=O)NCCOc3ccccc3)c2Cl)cc1 c1ccc(cc1)O[*:1] Cc1ccc(cc1)Cn1nc(C)c(C(=O)NCC[*:1])c1Cl
Cc1ccc(Cn2nc(C)c(C(=O)NCCOc3ccccc3)c2Cl)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)NCCOc1ccccc1)[*:1]
Cc1ccc(Cn2nc(C)c(C(=O)NCCOc3ccccc3)c2Cl)cc1 c1ccc(cc1)OCC[*:1] Cc1ccc(cc1)Cn1nc(C)c(C(=O)N[*:1])c1Cl
Cc1ccc(Cn2nc(C)c(C(=O)NCCOc3ccccc3)c2Cl)cc1 c1ccc(cc1)OC[*:1] Cc1ccc(cc1)Cn1nc(C)c(C(=O)NC[*:1])c1Cl
COc1cc(S(=O)(=O)N(C)C)ccc1N1CC(=O)N(Cc2ccco2)C1=O c1coc(c1)[*:1] COc1cc(ccc1N1CC(=O)N(C[*:1])C1=O)S(=O)(=O)N(C)C
COc1cc(S(=O)(=O)N(C)C)ccc1N1CC(=O)N(Cc2ccco2)C1=O CN(C)S(=O)(=O)[*:1] COc1cc(ccc1N1CC(=O)N(Cc2ccco2)C1=O)[*:1]
COc1cc(S(=O)(=O)N(C)C)ccc1N1CC(=O)N(Cc2ccco2)C1=O c1coc(c1)C[*:1] COc1cc(ccc1N1CC(=O)N(C1=O)[*:1])S(=O)(=O)N(C)C
CNC(=O)COC(=O)C[C@H](NC(C)=O)c1ccccc1 CNC(=O)C[*:1] CC(=O)N[C@@H](CC(=O)O[*:1])c1ccccc1
CNC(=O)COC(=O)C[C@H](NC(C)=O)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)COC(=O)C[C@H](NC(C)=O)[*:1]
CNC(=O)COC(=O)C[C@H](NC(C)=O)c1ccccc1 CC(=O)N[*:1] CNC(=O)COC(=O)C[C@H](c1ccccc1)[*:1]
CNC(=O)COC(=O)C[C@H](NC(C)=O)c1ccccc1 CNC(=O)[*:1] CC(=O)N[C@@H](CC(=O)OC[*:1])c1ccccc1
O=C(Cn1ccccc1=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F O=c1ccccn1C[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[*:1]
O=C(Cn1ccccc1=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F O=c1ccccn1[*:1] O=C(C[*:1])N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
O=C(Cn1ccccc1=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(Cn1ccccc1=O)N[C@@H]1CCC[C@@H]1c1ccccc1[*:1]
Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2C)sc1C#CCN NCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N1CCC[C@H](C)[C@H]1C
Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NCC(C)C)c3)n2)o1 CC(C)C[*:1] Cc1nnc(o1)-c1cc(n(n1)-c1cccc(c1)C(=O)NCC(C)C)[*:1]
Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NCC(C)C)c3)n2)o1 Cc1nnc(o1)[*:1] CC(C)CNC(=O)c1cccc(c1)-n1nc(cc1CC(C)C)[*:1]
Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NCC(C)C)c3)n2)o1 CC(C)[*:1] Cc1nnc(o1)-c1cc(C[*:1])n(n1)-c1cccc(c1)C(=O)NCC(C)C
Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NCC(C)C)c3)n2)o1 CC(C)[*:1] Cc1nnc(o1)-c1cc(CC(C)C)n(n1)-c1cccc(c1)C(=O)NC[*:1]
Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NCC(C)C)c3)n2)o1 CC(C)CNC(=O)[*:1] Cc1nnc(o1)-c1cc(CC(C)C)n(n1)-c1cccc(c1)[*:1]
Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NCC(C)C)c3)n2)o1 CC(C)C[*:1] Cc1nnc(o1)-c1cc(CC(C)C)n(n1)-c1cccc(c1)C(=O)N[*:1]
CC[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CC[C@@H]1CCCN1C(=O)c1cc(ccc1F)[*:1]
COCc1ccccc1[C@H](O)Cc1nc(C(C)(C)C)cs1 COC[*:1] CC(C)(C)c1csc(C[C@@H](O)c2ccccc2[*:1])n1
COCc1ccccc1[C@H](O)Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] COCc1ccccc1[C@H](O)Cc1nc(cs1)[*:1]
Cn1nnnc1-c1cccc(C(=O)Nc2ccncc2)c1 c1cc(ccn1)[*:1] Cn1nnnc1-c1cccc(c1)C(=O)N[*:1]
Cn1nnnc1-c1cccc(C(=O)Nc2ccncc2)c1 Cn1nnnc1[*:1] O=C(Nc1ccncc1)c1cccc(c1)[*:1]
Cc1ccc(N2CCN(C(=O)c3cccc4cccnc34)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(c1cccc2cccnc12)N1CCN(C(=O)C1)[*:1]
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)CC1=O O=[N+]([O-])[*:1] CCOC(=O)C1=NN(c2ccc(cc2)[*:1])[C@H](CC1=O)c1ccccc1
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)CC1=O c1ccc(cc1)[*:1] CCOC(=O)C1=NN(c2ccc(cc2)[N+](=O)[O-])[C@@H](CC1=O)[*:1]
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)CC1=O O=[N+]([O-])c1ccc(cc1)[*:1] CCOC(=O)C1=NN([C@H](CC1=O)c1ccccc1)[*:1]
COc1ccccc1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C O=S1(=O)CC[C@H](C1)[*:1] COc1ccccc1[C@@H](NC(=O)[*:1])C(C)(C)C
COc1ccccc1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C CC(C)(C)[*:1] COc1ccccc1[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1c(N)cccc1SCc1cc(-c2cccs2)on1 c1csc(c1)[*:1] Cc1c(N)cccc1SCc1cc(on1)[*:1]
C[C@H](C(=O)O[C@@H](c1ccccc1)c1nccs1)c1ccsc1 c1ccc(cc1)[*:1] C[C@H](C(=O)O[C@@H](c1nccs1)[*:1])c1ccsc1
C[C@H](C(=O)O[C@@H](c1ccccc1)c1nccs1)c1ccsc1 c1csc(n1)[*:1] C[C@H](C(=O)O[C@@H](c1ccccc1)[*:1])c1ccsc1
C[C@H](C(=O)O[C@@H](c1ccccc1)c1nccs1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)O[C@@H](c1ccccc1)c1nccs1)[*:1]
C[C@H](C(=O)O[C@@H](c1ccccc1)c1nccs1)c1ccsc1 C[C@H](c1ccsc1)[*:1] O=C(O[C@@H](c1ccccc1)c1nccs1)[*:1]
O=C(OCc1cccc(Cl)c1)c1cc(-c2ccccc2F)no1 Clc1cccc(c1)[*:1] O=C(OC[*:1])c1cc(no1)-c1ccccc1F
O=C(OCc1cccc(Cl)c1)c1cc(-c2ccccc2F)no1 Fc1ccccc1[*:1] O=C(OCc1cccc(Cl)c1)c1cc(no1)[*:1]
[NH3+][C@H](C1CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 c1ccc(cc1)[*:1] [NH3+][C@H](C1CC1)[C@@H]1CCN(C1)C(=O)OC[*:1]
[NH3+][C@H](C1CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 C1CC1[*:1] [NH3+][C@H]([C@@H]1CCN(C1)C(=O)OCc1ccccc1)[*:1]
CCC(CC)N1C(=O)[C@@H](CC(C)C)NC(=O)C[C@H]1C CCC(CC)[*:1] CC(C)C[C@H]1NC(=O)C[C@@H](C)N(C1=O)[*:1]
CCC(CC)N1C(=O)[C@@H](CC(C)C)NC(=O)C[C@H]1C CC(C)[*:1] CCC(CC)N1C(=O)[C@@H](C[*:1])NC(=O)C[C@H]1C
CCC(CC)N1C(=O)[C@@H](CC(C)C)NC(=O)C[C@H]1C CC(C)C[*:1] CCC(CC)N1C(=O)[C@@H](NC(=O)C[C@H]1C)[*:1]
CC[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2OCC2CC2)C1 C1CC1[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccccc1OC[*:1]
CC[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2OCC2CC2)C1 C1CC1C[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccccc1O[*:1]
CC[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2OCC2CC2)C1 C1CC1CO[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccccc1[*:1]
Cc1nnc(NC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)s1 Cc1nnc(s1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc2NC(=O)CCc2c1
COC(=O)Nc1cccc(NC(=O)[C@H]2CCO[C@H]2C)c1 COC(=O)N[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
c1cc(C2CC[NH+](CC3(CN4CCOCC4)CCCCC3)CC2)n[nH]1 C1CN(CCO1)C[*:1] c1cc(n[nH]1)C1CC[NH+](CC1)CC1(CCCCC1)[*:1]
c1cc(C2CC[NH+](CC3(CN4CCOCC4)CCCCC3)CC2)n[nH]1 C1CN(CCO1)[*:1] c1cc(n[nH]1)C1CC[NH+](CC1)CC1(CCCCC1)C[*:1]
c1cc(C2CC[NH+](CC3(CN4CCOCC4)CCCCC3)CC2)n[nH]1 c1cc(n[nH]1)[*:1] C1CCC(CC1)(CN1CCOCC1)C[NH+]1CCC(CC1)[*:1]
CCCc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)cc2)o1 CCC[*:1] Clc1ccc(cc1)Cn1c(cc2ccccc21)-c1nnc(o1)[*:1]
CCCc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)cc2)o1 Clc1ccc(cc1)C[*:1] CCCc1nnc(o1)-c1cc2ccccc2n1[*:1]
CCCc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)cc2)o1 CCCc1nnc(o1)[*:1] Clc1ccc(cc1)Cn1c(cc2ccccc21)[*:1]
CCCc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] CCCc1nnc(o1)-c1cc2ccccc2n1C[*:1]
O=C(C[NH+](CCO)Cc1ccccc1)Nc1nccs1 c1csc(n1)[*:1] O=C(C[NH+](CCO)Cc1ccccc1)N[*:1]
O=C(C[NH+](CCO)Cc1ccccc1)Nc1nccs1 c1ccc(cc1)[*:1] O=C(C[NH+](CCO)C[*:1])Nc1nccs1
CC(C)[C@](C)(Nc1ccc(Cl)c(Br)c1)C(N)=O NC(=O)[*:1] CC(C)[C@](C)(Nc1ccc(Cl)c(Br)c1)[*:1]
CC(C)[C@](C)(Nc1ccc(Cl)c(Br)c1)C(N)=O CC(C)[*:1] C[C@](Nc1ccc(Cl)c(Br)c1)(C(N)=O)[*:1]
Cc1ccc(C(=O)N[C@@H](CO)CC(C)(C)C)cc1Oc1ccncc1 c1cc(ccn1)O[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@@H](CO)CC(C)(C)C
Cc1ccc(C(=O)N[C@@H](CO)CC(C)(C)C)cc1Oc1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1O[*:1])C(=O)N[C@@H](CO)CC(C)(C)C
Cc1ccc(C(=O)N[C@@H](CO)CC(C)(C)C)cc1Oc1ccncc1 CC(C)(C)[*:1] Cc1ccc(cc1Oc1ccncc1)C(=O)N[C@@H](CO)C[*:1]
Cc1ccc(C(=O)N[C@@H](CO)CC(C)(C)C)cc1Oc1ccncc1 CC(C)(C)C[*:1] Cc1ccc(cc1Oc1ccncc1)C(=O)N[C@@H](CO)[*:1]
CCn1c([C@@H]2CCCN2C(=O)c2cncc(C)c2)nc2ccccc21 Cc1cncc(c1)[*:1] CCn1c(nc2ccccc21)[C@@H]1CCCN1C(=O)[*:1]
CC(C)NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 CC(C)[*:1] C[C@H](C(=O)N[*:1])N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2
CC(C)NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 CC(C)NC(=O)[C@@H](C)[*:1] O=C1C[C@]2(CCC(=O)N(CC2)[*:1])Oc2ccccc21
CC(C)NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 CC(C)NC(=O)[*:1] C[C@@H](N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2)[*:1]
COCC[NH+](C)Cc1cccc(Cl)c1 COCC[*:1] C[NH+](Cc1cccc(Cl)c1)[*:1]
COCC[NH+](C)Cc1cccc(Cl)c1 COC[*:1] C[NH+](Cc1cccc(Cl)c1)C[*:1]
CCC(=O)N(Cc1ccc(OC)cc1)Cc1cccc(C)c1 Cc1cccc(c1)[*:1] CCC(=O)N(Cc1ccc(cc1)OC)C[*:1]
Fc1ccccc1[C@@H]1CN(Cc2cnc(C3CCCC3)s2)CCO1 Fc1ccccc1[*:1] c1nc(sc1CN1CCO[C@@H](C1)[*:1])C1CCCC1
Fc1ccccc1[C@@H]1CN(Cc2cnc(C3CCCC3)s2)CCO1 C1CCC(C1)[*:1] Fc1ccccc1[C@@H]1CN(CCO1)Cc1cnc(s1)[*:1]
C#CC[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F FC(F)O[*:1] C#CC[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[*:1]
C#CC[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F FC(F)[*:1] C#CC[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccccc1O[*:1]
C#CC[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F C#CC[*:1] C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F)[*:1]
C[C@@H](C(=O)N(C)CC(=O)Nc1cccc(C(=O)N(C)C)c1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N(C)CC(=O)Nc1cccc(c1)C(=O)N(C)C)[*:1]
C[C@@H](C(=O)N(C)CC(=O)Nc1cccc(C(=O)N(C)C)c1)n1cccn1 CN(C)C(=O)[*:1] C[C@@H](C(=O)N(C)CC(=O)Nc1cccc(c1)[*:1])n1cccn1
CC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)N(C)C)[*:1]
CC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] CN(C)S(=O)(=O)[*:1] CC[C@H](NC(=O)c1ccc(cc1)[*:1])C(=O)[O-]
[NH3+]CCC(=O)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 [NH3+]CC[*:1] O=C(N1CCC[C@@H](C1)N1CC[NH+](CC1)Cc1ccc2OCOc2c1)[*:1]
[NH3+]CCC(=O)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 c1cc2OCOc2cc1[*:1] [NH3+]CCC(=O)N1CCC[C@@H](C1)N1CC[NH+](CC1)C[*:1]
CN(C)C(=O)c1ccc(Cl)c(NC(=O)NC2CC2)c1 CN(C)C(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])NC1CC1
CN(C)C(=O)c1ccc(Cl)c(NC(=O)NC2CC2)c1 C1CC1[*:1] CN(C)C(=O)c1ccc(Cl)c(c1)NC(=O)N[*:1]
CCOc1ccc2ccccc2c1C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 FC(F)(F)[*:1] CCOc1ccc2ccccc2c1C(=O)N1CCC(CC1)C(=O)NC[*:1]
CCOc1ccc2ccccc2c1C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 O=C(NCC(F)(F)F)[*:1] CCOc1ccc2ccccc2c1C(=O)N1CCC(CC1)[*:1]
CCOc1ccc2ccccc2c1C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 CCO[*:1] O=C(NCC(F)(F)F)C1CCN(CC1)C(=O)c1c(ccc2ccccc12)[*:1]
CCOc1ccc2ccccc2c1C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 FC(F)(F)C[*:1] CCOc1ccc2ccccc2c1C(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@](O)(C(=O)COS(C)(=O)=O)[C@@]3(C)C[C@@H](O)[C@H]12 CS(=O)(=O)OC[*:1] C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@](O)(C(=O)[*:1])[C@@]3(C)C[C@@H](O)[C@H]12
C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@](O)(C(=O)COS(C)(=O)=O)[C@@]3(C)C[C@@H](O)[C@H]12 CS(=O)(=O)OCC(=O)[*:1] C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@](O)([C@@]3(C)C[C@@H](O)[C@H]12)[*:1]
C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@](O)(C(=O)COS(C)(=O)=O)[C@@]3(C)C[C@@H](O)[C@H]12 CS(=O)(=O)O[*:1] C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@](O)(C(=O)C[*:1])[C@@]3(C)C[C@@H](O)[C@H]12
O=C(CC(c1ccccc1)c1ccccc1)N1CCCSC[C@@H]1CN1CCOCC1 c1ccc(cc1)[*:1] O=C(CC(c1ccccc1)[*:1])N1CCCSC[C@@H]1CN1CCOCC1
O=C(CC(c1ccccc1)c1ccccc1)N1CCCSC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CC(c1ccccc1)c1ccccc1)N1CCCSC[C@H]1[*:1]
O=C(CC(c1ccccc1)c1ccccc1)N1CCCSC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(CC(c1ccccc1)c1ccccc1)N1CCCSC[C@@H]1C[*:1]
CC(=O)Nc1cccc(OCc2noc(C(=O)NCc3ccccn3)n2)c1 c1ccc(nc1)[*:1] CC(=O)Nc1cccc(c1)OCc1noc(n1)C(=O)NC[*:1]
CC(=O)Nc1cccc(OCc2noc(C(=O)NCc3ccccn3)n2)c1 c1ccc(C[*:1])nc1 CC(=O)Nc1cccc(c1)OCc1noc(n1)C(=O)N[*:1]
CC(=O)Nc1cccc(OCc2noc(C(=O)NCc3ccccn3)n2)c1 CC(=O)N[*:1] O=C(NCc1ccccn1)c1nc(COc2cccc(c2)[*:1])no1
COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1csc(Cc2ccccc2)n1 COC(=O)[*:1] O=C(c1csc(Cc2ccccc2)n1)N1CC[C@H](O)C[C@@H]1[*:1]
COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1csc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1csc(n1)[*:1]
COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1csc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1csc(C[*:1])n1
CC[C@@H](C)NC(=O)CCNC(=O)Nc1ccc(C(=O)NC)c(Cl)c1 CNC(=O)[*:1] CC[C@@H](C)NC(=O)CCNC(=O)Nc1ccc(c(Cl)c1)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)Nc1ccc(C(=O)NC)c(Cl)c1 CC[C@@H](C)NC(=O)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)NCC[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)Nc1ccc(C(=O)NC)c(Cl)c1 CC[C@@H](C)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)NCCC(=O)N[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)Nc1ccc(C(=O)NC)c(Cl)c1 CC[C@@H](C)NC(=O)C[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)NC[*:1]
CNC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 CNC(=O)[*:1] CC(C)[C@H]([NH3+])c1ccn(c1)C[*:1]
CNC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 CC(C)[*:1] CNC(=O)Cn1ccc(c1)[C@@H]([NH3+])[*:1]
CNC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 CNC(=O)C[*:1] CC(C)[C@H]([NH3+])c1ccn(c1)[*:1]
CCCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)sc1C CCC[*:1] Cc1sc(cc1[*:1])C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F
CC(C)(C)c1ncsc1C(=O)NCc1cccnc1OCc1ccccc1 c1ccc(cc1)CO[*:1] CC(C)(C)c1ncsc1C(=O)NCc1cccnc1[*:1]
CC(C)(C)c1ncsc1C(=O)NCc1cccnc1OCc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(C)c1ncsc1C(=O)NCc1cccnc1O[*:1]
CC(C)(C)c1ncsc1C(=O)NCc1cccnc1OCc1ccccc1 CC(C)(C)[*:1] O=C(NCc1cccnc1OCc1ccccc1)c1scnc1[*:1]
CC(C)(C)c1ncsc1C(=O)NCc1cccnc1OCc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)c1ncsc1C(=O)NCc1cccnc1OC[*:1]
Cc1cc(C)c(OC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C)c(OC(=O)[C@@H]2CCCN(C2)CC(F)(F)F)c(c1)[*:1]
Cc1cc(C)c(OC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c([N+](=O)[O-])c1 FC(F)(F)[*:1] Cc1cc(C)c(OC(=O)[C@@H]2CCCN(C2)C[*:1])c(c1)[N+](=O)[O-]
Cc1cc(C)c(OC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c([N+](=O)[O-])c1 FC(F)(F)C[*:1] Cc1cc(C)c(OC(=O)[C@@H]2CCCN(C2)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(-c2csc3ncnc(OCC(=O)Nc4ccc5c(c4)OCO5)c23)cc1OC COc1ccc(cc1OC)[*:1] O=C(COc1ncnc2scc(c12)[*:1])Nc1ccc2OCOc2c1
COc1ccc(-c2csc3ncnc(OCC(=O)Nc4ccc5c(c4)OCO5)c23)cc1OC c1cc2OCOc2cc1[*:1] COc1ccc(cc1OC)-c1csc2ncnc(OCC(=O)N[*:1])c12
Cc1cccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2C#N)c1C N#Cc1ccccc1[*:1] Cc1cccc(NC(=O)COc2ccccc2C(=O)N[*:1])c1C
Cc1cccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2C#N)c1C Cc1cccc(c1C)[*:1] N#Cc1ccccc1NC(=O)c1ccccc1OCC(=O)N[*:1]
O=C(NCCSc1cn[nH]n1)c1ccc2c(c1)O[C@@H](C1CCCCC1)N2 c1n[nH]nc1S[*:1] O=C(NCC[*:1])c1ccc2N[C@@H](Oc2c1)C1CCCCC1
O=C(NCCSc1cn[nH]n1)c1ccc2c(c1)O[C@@H](C1CCCCC1)N2 c1n[nH]nc1SCC[*:1] O=C(N[*:1])c1ccc2N[C@@H](Oc2c1)C1CCCCC1
O=C(NCCSc1cn[nH]n1)c1ccc2c(c1)O[C@@H](C1CCCCC1)N2 c1n[nH]nc1SC[*:1] O=C(NC[*:1])c1ccc2N[C@@H](Oc2c1)C1CCCCC1
O=C(NCCSc1cn[nH]n1)c1ccc2c(c1)O[C@@H](C1CCCCC1)N2 C1CCC(CC1)[*:1] O=C(NCCSc1cn[nH]n1)c1ccc2N[C@H](Oc2c1)[*:1]
O=C(NCCSc1cn[nH]n1)c1ccc2c(c1)O[C@@H](C1CCCCC1)N2 c1n[nH]nc1[*:1] O=C(NCCS[*:1])c1ccc2N[C@@H](Oc2c1)C1CCCCC1
CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 CCS(=O)(=O)[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)s1)c1ccccc1[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 Clc1ccc(s1)[*:1] CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(cs1)[*:1]
Cc1ccccc1N1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H](C)C1 Cc1ccccc1[*:1] Cc1[nH+]ccn1CCCC(=O)N1CCN(C[C@@H]1C)[*:1]
CCOc1ccccc1CCNC(=O)Nc1ccc(-c2csnn2)cc1 CCO[*:1] O=C(NCCc1ccccc1[*:1])Nc1ccc(cc1)-c1csnn1
CCOc1ccccc1CCNC(=O)Nc1ccc(-c2csnn2)cc1 c1snnc1[*:1] CCOc1ccccc1CCNC(=O)Nc1ccc(cc1)[*:1]
Cc1ccsc1-c1cccc(NC(=O)C(=O)N[C@H]2CC=CCC2)c1 Cc1ccsc1[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N[C@H]1CC=CCC1
C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC2CCCCC2)C1=O C1CCC(CC1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc2OCCOc2c1
C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC2CCCCC2)C1=O C1CCC(CC1)C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc2OCCOc2c1
CCn1cc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2F)ccc1=O Fc1ccccc1[*:1] CCn1cc(ccc1=O)NC(=O)C(=O)NC[C@@H](O)[*:1]
COc1ccc(C[C@@H](C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C[C@@H](C)CNC(=O)c1cccc(Cl)c1[*:1]
COc1ccc(C[C@@H](C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 COc1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C[*:1]
CC[NH+](CC)CC#C[C@@H](C)OC(=O)/C=C/c1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] CC[NH+](CC)CC#C[C@@H](C)OC(=O)C=C[*:1]
COc1cccc(C[C@H](C)NC(=O)c2cncc(C)c2)c1 Cc1cncc(c1)[*:1] COc1cccc(c1)C[C@H](C)NC(=O)[*:1]
CCN(CC)C(=O)[C@H](C)N1CCN(c2ccccc2[N+](=O)[O-])CC1 CCN(CC)C(=O)[*:1] C[C@H](N1CCN(CC1)c1ccccc1[N+](=O)[O-])[*:1]
CCN(CC)C(=O)[C@H](C)N1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCN(CC)C(=O)[C@H](C)N1CCN(CC1)c1ccccc1[*:1]
CNC(=O)NC(=O)CNc1ccccc1COC COC[*:1] CNC(=O)NC(=O)CNc1ccccc1[*:1]
Cc1noc(C(C)C)c1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)CO[*:1] Cc1noc(c1C(=O)Nc1cccc(c1)[*:1])C(C)C
Cc1noc(C(C)C)c1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1noc(c1C(=O)Nc1cccc(c1)O[*:1])C(C)C
Cc1noc(C(C)C)c1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 CC(C)[*:1] Cc1noc(c1C(=O)Nc1cccc(c1)OC[C@H]1CCCO1)[*:1]
Cc1noc(C(C)C)c1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1noc(c1C(=O)Nc1cccc(c1)OC[*:1])C(C)C
COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)CC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)-c1n[nH]c(CC(C)C)c1NC(=O)[*:1]
COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)CC(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)CC(=O)Nc1c(n[nH]c1CC(C)C)[*:1]
COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)CC(C)C)cc1 CC(C)CC(=O)N[*:1] COc1ccc(cc1)-c1n[nH]c(CC(C)C)c1[*:1]
COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)CC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)-c1n[nH]c(C[*:1])c1NC(=O)CC(C)C
COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)CC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)-c1n[nH]c(c1NC(=O)CC(C)C)[*:1]
COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)CC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)-c1n[nH]c(CC(C)C)c1NC(=O)C[*:1]
CCC[NH2+][C@H](c1c(F)cc(OC)cc1F)[C@]1(C)CCCO1 CCC[*:1] COc1cc(F)c(c(F)c1)[C@@H]([NH2+][*:1])[C@]1(C)CCCO1
CO[C@H](c1ccccc1)c1nc2ccccc2[nH]c1=O c1ccc(cc1)[*:1] CO[C@H](c1nc2ccccc2[nH]c1=O)[*:1]
CN(C)C(=O)CS(=O)(=O)Cc1ccc(Cl)cc1 CN(C)C(=O)[*:1] O=S(=O)(Cc1ccc(Cl)cc1)C[*:1]
CC(=O)c1cccc(NC2=[NH+]CCC2)c1 CC(=O)[*:1] c1cc(cc(c1)[*:1])NC1CCC[NH+]=1
CC[NH2+][C@@H](C)c1csc(NC(=O)[C@@]2(C)CCCO2)n1 C[C@]1(CCCO1)[*:1] CC[NH2+][C@@H](C)c1csc(n1)NC(=O)[*:1]
COCc1ccc(CN2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)o1 Fc1ccc(cc1)[*:1] COCc1ccc(CN2C[C@H](O[C@H](C)C2)[*:1])o1
COCc1ccc(CN2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)o1 COC[*:1] C[C@@H]1CN(Cc2ccc(o2)[*:1])C[C@@H](O1)c1ccc(F)cc1
CC(=O)c1c[nH]c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 CC(=O)[*:1] O=C(Nc1ccc(cc1)-c1nnc2CCCCCn21)c1cc(c[nH]1)[*:1]
CC(=O)c1c[nH]c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 CC(=O)c1c[nH]c(c1)[*:1] O=C(Nc1ccc(cc1)-c1nnc2CCCCCn21)[*:1]
CN(C)C(=O)[C@H]1CN(Cc2ccco2)CCN1 c1coc(c1)[*:1] CN(C)C(=O)[C@H]1CN(CCN1)C[*:1]
CN(C)C(=O)[C@H]1CN(Cc2ccco2)CCN1 CN(C)C(=O)[*:1] c1coc(c1)CN1CCN[C@H](C1)[*:1]
Cc1ccc2c(c1)OCCN2C(=O)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] Cc1ccc2c(c1)OCCN2C(=O)c1ccc(cc1)[*:1]
CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1nc(no1)-c1cccc(Cl)c1)C(=O)N[*:1]
CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)Nc1ccccc1 Clc1cccc(c1)[*:1] CN(Cc1nc(no1)[*:1])C(=O)Nc1ccccc1
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2ncc(Cl)cc2F)cc1 O=[N+]([O-])[*:1] OC[C@H](Nc1ncc(Cl)cc1F)[C@@H](O)c1ccc(cc1)[*:1]
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc21 COC(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])[C@H]1CCCc2ccccc21
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] COC(=O)[C@H](C[*:1])NC(=O)[C@H]1CCCc2ccccc21
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCc2ccccc21 c1ccc(cc1)C[*:1] COC(=O)[C@H](NC(=O)[C@H]1CCCc2ccccc21)[*:1]
COc1cc(/C=C\[N+](=O)[O-])cc(Cl)c1OC O=[N+]([O-])C=C[*:1] COc1cc(cc(Cl)c1OC)[*:1]
COc1cc(/C=C\[N+](=O)[O-])cc(Cl)c1OC O=[N+]([O-])[*:1] COc1cc(C=C[*:1])cc(Cl)c1OC
Cn1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c(n1)[*:1]
COc1ccc(OC)c(-c2csc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)-c1csc(n1)[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)N1CCOCC1 C[C@H](N1CCOCC1)[*:1] Cc1ccc(c(C)c1NC(=O)NC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccc(c(C)c1NC(=O)NC[C@H](C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)N1CCOCC1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)NC[C@H](C)N1CCOCC1)[*:1]
CC(C)n1nccc1NC(=O)c1csc2c1CC[C@@H](C)C2 CC(C)[*:1] C[C@@H]1CCc2c(csc2C1)C(=O)Nc1ccnn1[*:1]
C[C@@H](C(=O)NCc1ccccc1F)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 Fc1ccccc1[*:1] C[C@@H](C(=O)NC[*:1])N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2
C[C@@H](C(=O)NCc1ccccc1F)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 Fc1ccccc1C[*:1] C[C@@H](C(=O)N[*:1])N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2
COc1c(Cl)ccc2sc(N3CC[NH+](CCNC(=O)c4ccc(C(C)=O)cc4)CC3)nc12 CC(=O)[*:1] COc1c(Cl)ccc2sc(nc12)N1CC[NH+](CCNC(=O)c2ccc(cc2)[*:1])CC1
COc1c(Cl)ccc2sc(N3CC[NH+](CCNC(=O)c4ccc(C(C)=O)cc4)CC3)nc12 CC(=O)c1ccc(cc1)[*:1] COc1c(Cl)ccc2sc(nc12)N1CC[NH+](CCNC(=O)[*:1])CC1
Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(Br)cn3)CC2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)c1ccc(Br)cn1
Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(Br)cn3)CC2)no1 Brc1ccc(nc1)[*:1] Cc1cc(no1)NC(=O)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)NC[C@H](C)Cn2nc(C)cc2C)cn1 Cc1cc(C)n(n1)[*:1] Cc1ccc(cn1)C(=O)NC[C@H](C)C[*:1]
Cc1ccc(C(=O)NC[C@H](C)Cn2nc(C)cc2C)cn1 Cc1ccc(cn1)[*:1] Cc1cc(C)n(C[C@@H](C)CNC(=O)[*:1])n1
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccccc1F Clc1ccc(c(Cl)c1)[*:1] CCCN(CC(=O)N[*:1])C(=O)c1ccccc1F
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccccc1F CCC[*:1] O=C(CN(C(=O)c1ccccc1F)[*:1])Nc1ccc(Cl)cc1Cl
CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccccc1F Fc1ccccc1[*:1] CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[*:1]
COc1cc(/C=c2\sc3n(c2=O)CN(c2cccc([N+](=O)[O-])c2)CN=3)cc(OC)c1OC O=[N+]([O-])c1cccc(c1)[*:1] COc1cc(/C=c2\sc3=NCN(Cn3c2=O)[*:1])cc(OC)c1OC
COc1cc(/C=c2\sc3n(c2=O)CN(c2cccc([N+](=O)[O-])c2)CN=3)cc(OC)c1OC O=[N+]([O-])[*:1] COc1cc(/C=c2\sc3=NCN(Cn3c2=O)c2cccc(c2)[*:1])cc(OC)c1OC
O=C(NC1CCCC1)[C@H](Cl)c1ccccc1 C1CCC(C1)[*:1] O=C(N[*:1])[C@H](Cl)c1ccccc1
COc1ccccc1N1C(=O)S/C(=C/c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] COc1ccccc1N1C(=O)SC(=C[*:1])C1=O
C[C@@H](C(=O)Oc1cccc(Br)c1)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H](C(=O)Oc1cccc(Br)c1)[*:1]
Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CC=CCC2)no1 Cc1nc(no1)[*:1] O=C([C@H]1CC=CCC1)N1CCC[C@H]1[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O c1ccc(cc1)C[*:1] CCC[C@@H](NC(=O)Nc1cc(c[nH]c1=O)C(F)(F)F)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O FC(F)(F)[*:1] CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(c[nH]c1=O)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O c1ccc(cc1)[*:1] CCC[C@@H](C[*:1])NC(=O)Nc1cc(c[nH]c1=O)C(F)(F)F
CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O CCC[*:1] O=C(Nc1cc(c[nH]c1=O)C(F)(F)F)N[C@H](Cc1ccccc1)[*:1]
CCOc1ccccc1OCCOCCOc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCOc1ccccc1OCCOCCOc1ccc(cc1)[*:1]
CCOc1ccccc1OCCOCCOc1ccc([N+](=O)[O-])cc1 CCO[*:1] O=[N+]([O-])c1ccc(cc1)OCCOCCOc1ccccc1[*:1]
CCOc1cccc2s/c(=N\C(=O)Cc3ccc(S(C)(=O)=O)cc3)n(CC)c12 CS(=O)(=O)[*:1] CCOc1cccc2s/c(=N\C(=O)Cc3ccc(cc3)[*:1])n(CC)c12
CCOc1cccc2s/c(=N\C(=O)Cc3ccc(S(C)(=O)=O)cc3)n(CC)c12 CCO[*:1] CCn1/c(=N/C(=O)Cc2ccc(cc2)S(C)(=O)=O)sc2cccc(c21)[*:1]
CCOC(=O)c1[nH]ccc1-c1cc(Cl)c2c(c1)OCCO2 CCOC(=O)[*:1] Clc1cc(cc2OCCOc12)-c1cc[nH]c1[*:1]
Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]CCC[C@H]1CCCC[C@@H]1O O[C@H]1CCCC[C@@H]1[*:1] Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]CCC[*:1]
Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)NCC1(CCOCC1)[NH+](C)C
Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])S(=O)(=O)NCC1(CCOCC1)[NH+](C)C
Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c2ccccc2n1 c1coc(c1)[*:1] Cc1cc(C(=O)NC[C@@H]([NH+](C)C)[*:1])c2ccccc2n1
COc1ccc(C(=O)C2CCN(C(=O)c3cccc(OC)c3F)CC2)cc1 COc1ccc(cc1)[*:1] COc1cccc(C(=O)N2CCC(CC2)C(=O)[*:1])c1F
COc1ccc(C(=O)C2CCN(C(=O)c3cccc(OC)c3F)CC2)cc1 COc1cccc(c1F)[*:1] COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(-c2ccoc2)c1 O=C(N[*:1])C1CC1 Cc1ccc(cc1NC(=O)c1cccc(c1)-c1ccoc1)[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] Cc1ccc(cc1NC(=O)c1cccc(c1)[*:1])NC(=O)C1CC1
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(-c2ccoc2)c1 C1CC1[*:1] Cc1ccc(cc1NC(=O)c1cccc(c1)-c1ccoc1)NC(=O)[*:1]
Cc1c(C(=O)NC[C@H](C)N2CCOC[C@@H]2C)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@H](C)N1CCOC[C@@H]1C
C=CCN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(Cl)ccc21 C=CC[*:1] CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(c1ccc(Cl)cc12)[*:1]
CN(C(=O)COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)[*:1]
O=C(c1ccc(SCc2ccc3ccccc3n2)nc1)N1CCCC1 O=C(N1CCCC1)[*:1] c1ccc2nc(ccc2c1)CSc1ccc(cn1)[*:1]
CCCN1C(=O)NC(=N)[C@]12CCCC[C@H]2CC CCC[*:1] CC[C@@H]1CCCC[C@]12C(=N)NC(=O)N2[*:1]
Cc1ccc(CSCCNC(=O)C(=O)Nc2cc(F)cc(F)c2)cc1 Cc1ccc(cc1)C[*:1] O=C(NCCS[*:1])C(=O)Nc1cc(F)cc(F)c1
Cc1ccc(CSCCNC(=O)C(=O)Nc2cc(F)cc(F)c2)cc1 Fc1cc(F)cc(c1)[*:1] Cc1ccc(cc1)CSCCNC(=O)C(=O)N[*:1]
Cc1ccc(CSCCNC(=O)C(=O)Nc2cc(F)cc(F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCSC[*:1])C(=O)Nc1cc(F)cc(F)c1
CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)COC2CCCC2)C1 C1CCC(C1)[*:1] CS(=O)(=O)[C@@H]1CC[C@H](C1)OC(=O)CO[*:1]
CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)COC2CCCC2)C1 CS(=O)(=O)[*:1] O=C(COC1CCCC1)O[C@@H]1CC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)COC2CCCC2)C1 C1CCC(C1)O[*:1] CS(=O)(=O)[C@@H]1CC[C@H](C1)OC(=O)C[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1C O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)[C@@H]1C[C@@H]1C)[*:1]
CC(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 C1CCC(C1)O[*:1] CC(C)C(=O)N[C@H]1CCCN(C1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CC(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 CC(C)C(=O)N[*:1] O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)N1CCC[C@@H](C1)[*:1]
CC(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 CC(C)[*:1] O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)N1CCC[C@@H](C1)NC(=O)[*:1]
CC(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 C1CCC(C1)[*:1] CC(C)C(=O)N[C@H]1CCCN(C1)C(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
CC(C)Oc1ncc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl CC(C)[*:1] C[C@H]1CC[C@H](CN1C(=O)c1cnc(O[*:1])c(Cl)c1)C(N)=O
CC(C)Oc1ncc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl NC(=O)[*:1] CC(C)Oc1ncc(cc1Cl)C(=O)N1C[C@H](CC[C@@H]1C)[*:1]
CC(C)Oc1ncc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl CC(C)O[*:1] C[C@H]1CC[C@H](CN1C(=O)c1cnc(c(Cl)c1)[*:1])C(N)=O
CCOC(=O)[C@@H](c1nc(-c2cccc(Br)c2)no1)C(C)C CC(C)[*:1] CCOC(=O)[C@@H](c1nc(no1)-c1cccc(Br)c1)[*:1]
CCOC(=O)[C@@H](c1nc(-c2cccc(Br)c2)no1)C(C)C CCOC(=O)[*:1] CC(C)[C@H](c1nc(no1)-c1cccc(Br)c1)[*:1]
CCOC(=O)[C@@H](c1nc(-c2cccc(Br)c2)no1)C(C)C Brc1cccc(c1)[*:1] CCOC(=O)[C@@H](c1nc(no1)[*:1])C(C)C
CC(C)c1cc(C(=O)NCCCSc2ccccc2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)NCCCSc1ccccc1)[*:1]
CC(C)c1cc(C(=O)NCCCSc2ccccc2)n(C)n1 c1ccc(cc1)[*:1] CC(C)c1cc(C(=O)NCCCS[*:1])n(C)n1
CC(C)c1cc(C(=O)NCCCSc2ccccc2)n(C)n1 c1ccc(cc1)S[*:1] CC(C)c1cc(C(=O)NCCC[*:1])n(C)n1
CCNC(=O)c1ccc(N)c(NCc2c(C)noc2C)c1 CCNC(=O)[*:1] Cc1noc(C)c1CNc1cc(ccc1N)[*:1]
CCNC(=O)c1ccc(N)c(NCc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] CCNC(=O)c1ccc(N)c(c1)NC[*:1]
Cc1ccc(C(=O)N2CCCc3ccccc32)cc1S(=O)(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)NC[*:1])C(=O)N1CCCc2ccccc21
Cc1ccc(C(=O)N2CCCc3ccccc32)cc1S(=O)(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N1CCCc2ccccc21
Fc1ccc2c(c1)nc(NC[C@H]1CCCO1)c1nccn12 C1CO[C@H](C1)[*:1] Fc1ccc2c(c1)nc(NC[*:1])c1nccn12
Fc1ccc2c(c1)nc(NC[C@H]1CCCO1)c1nccn12 C1CO[C@H](C1)CN[*:1] Fc1ccc2c(c1)nc(c1nccn12)[*:1]
Fc1ccc2c(c1)nc(NC[C@H]1CCCO1)c1nccn12 C1CO[C@H](C1)C[*:1] Fc1ccc2c(c1)nc(N[*:1])c1nccn12
O=C(Nc1cccnc1Cl)C(=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1cccnc1Cl)C(=O)N[*:1]
Cc1cccc(NC(=O)c2sc3[nH+]c(N4CCOCC4)c4c(c3c2N)CCCC4)c1 Cc1cccc(c1)NC(=O)[*:1] Nc1c(sc2[nH+]c(c3CCCCc3c12)N1CCOCC1)[*:1]
Cc1cccc(NC(=O)c2sc3[nH+]c(N4CCOCC4)c4c(c3c2N)CCCC4)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)NC(=O)c1sc2[nH+]c(c3CCCCc3c2c1N)[*:1]
Cc1cccc(NC(=O)c2sc3[nH+]c(N4CCOCC4)c4c(c3c2N)CCCC4)c1 Cc1cccc(c1)[*:1] Nc1c(sc2[nH+]c(c3CCCCc3c12)N1CCOCC1)C(=O)N[*:1]
O=C(CCC[N-]C1=NC(Cl)=N[C@H]2N=CN=C12)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(CCC[N-]C1=NC(Cl)=N[C@H]2N=CN=C12)N[*:1]
O=C(CCC[N-]C1=NC(Cl)=N[C@H]2N=CN=C12)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(CCC[N-]C1=NC(Cl)=N[C@H]2N=CN=C12)NC[*:1]
C[C@@H](NC(=O)NCCn1cccc1)c1ccc(Cl)s1 c1ccn(c1)[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)NCCn1cccc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)NCCn1cccc1)[*:1]
C[C@@H](NC(=O)NCCn1cccc1)c1ccc(Cl)s1 c1ccn(c1)C[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(Cl)s1
COc1ccccc1[C@@H](NC(=O)Nc1cc(C)on1)c1ccccn1 Cc1cc(no1)[*:1] COc1ccccc1[C@@H](NC(=O)N[*:1])c1ccccn1
COc1ccccc1[C@@H](NC(=O)Nc1cc(C)on1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)Nc1cc(C)on1)[*:1]
COc1ccccc1[C@@H](NC(=O)Nc1cc(C)on1)c1ccccn1 COc1ccccc1[*:1] Cc1cc(no1)NC(=O)N[C@@H](c1ccccn1)[*:1]
COc1cccc(N2C(=O)[C@@H]3C(C(=O)C(c4ccccc4)c4ccccc4)=NN[C@H]3C2=O)c1 COc1cccc(c1)[*:1] O=C(C1=NN[C@H]2C(=O)N(C(=O)[C@H]12)[*:1])C(c1ccccc1)c1ccccc1
COc1cccc(N2C(=O)[C@@H]3C(C(=O)C(c4ccccc4)c4ccccc4)=NN[C@H]3C2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1C(=O)[C@@H]2C(=NN[C@H]2C1=O)C(=O)C(c1ccccc1)[*:1]
COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F FC(F)(F)[*:1] COC(=O)c1cc(ccc1[*:1])[N+](=O)[O-]
COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F O=[N+]([O-])[*:1] COC(=O)c1cc(ccc1C(F)(F)F)[*:1]
COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F COC(=O)[*:1] O=[N+]([O-])c1ccc(c(c1)[*:1])C(F)(F)F
O=c1c(Oc2ccc(I)cc2)coc2cc(O)cc(O)c12 Ic1ccc(cc1)[*:1] O=c1c(coc2cc(O)cc(O)c12)O[*:1]
CCO[C@@H]1CC[C@](C#N)(NC2CC2)C1 C1CC1N[*:1] CCO[C@@H]1CC[C@](C#N)(C1)[*:1]
CCO[C@@H]1CC[C@](C#N)(NC2CC2)C1 CCO[*:1] N#C[C@@]1(CC[C@H](C1)[*:1])NC1CC1
CCO[C@@H]1CC[C@](C#N)(NC2CC2)C1 C1CC1[*:1] CCO[C@@H]1CC[C@@](C#N)(C1)N[*:1]
COc1ccc2c(c1)=C(CCNC(=O)C1CCN(c3cnccn3)CC1)C[NH+]=2 c1cnc(cn1)[*:1] COc1ccc2=[NH+]CC(CCNC(=O)C3CCN(CC3)[*:1])=c2c1
CC[C@@H](NC(=O)C(=O)Nc1ccc(OC)cc1)c1c(C)nn(C)c1C COc1ccc(cc1)[*:1] CC[C@@H](NC(=O)C(=O)N[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)C(=O)Nc1ccc(OC)cc1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)C(=O)Nc1ccc(cc1)OC)[*:1]
NC1=[NH+]C[C@H](C2CCCCC2)N1c1cccc(Br)c1 C1CCC(CC1)[*:1] NC1=[NH+]C[C@H](N1c1cccc(Br)c1)[*:1]
CC(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(c1)[*:1]
CC(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC(C)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)N[C@@H]1CCCC[C@H]1[*:1]
C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1nncn1C Cn1cnnc1[*:1] C[C@H]([NH2+][C@@H]1CCCc2cccnc21)[*:1]
CC(=O)N1N=C(c2ccc3c(c2)OCO3)O[C@H]1c1cccc(Br)c1 Brc1cccc(c1)[*:1] CC(=O)N1N=C(O[C@@H]1[*:1])c1ccc2OCOc2c1
CCS[C@H]1CC[C@H](NC(=O)N2CCN(CC(F)(F)C(F)F)CC2)C1 CCS[*:1] O=C(N[C@H]1CC[C@@H](C1)[*:1])N1CCN(CC1)CC(F)(F)C(F)F
CCS[C@H]1CC[C@H](NC(=O)N2CCN(CC(F)(F)C(F)F)CC2)C1 FC(F)C(F)(F)[*:1] CCS[C@H]1CC[C@@H](C1)NC(=O)N1CCN(CC1)C[*:1]
CCS[C@H]1CC[C@H](NC(=O)N2CCN(CC(F)(F)C(F)F)CC2)C1 FC(F)C(F)(F)C[*:1] CCS[C@H]1CC[C@@H](C1)NC(=O)N1CCN(CC1)[*:1]
CCS[C@H]1CC[C@H](NC(=O)N2CCN(CC(F)(F)C(F)F)CC2)C1 FC(F)[*:1] CCS[C@H]1CC[C@@H](C1)NC(=O)N1CCN(CC1)CC(F)(F)[*:1]
Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)NCCN1C(=O)SC(=C[*:1])C1=O
Cc1nc2scc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4F)c3)n2c(=O)c1C Fc1ccc(c(F)c1)[*:1] Cc1nc2scc(-c3cccc(c3)NS(=O)(=O)[*:1])n2c(=O)c1C
C[C@H](COc1cccc(F)c1)OC(=O)C1CCN(c2ncccn2)CC1 Fc1cccc(c1)O[*:1] C[C@H](C[*:1])OC(=O)C1CCN(CC1)c1ncccn1
C[C@H](COc1cccc(F)c1)OC(=O)C1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] C[C@H](COc1cccc(F)c1)OC(=O)C1CCN(CC1)[*:1]
C[C@H](COc1cccc(F)c1)OC(=O)C1CCN(c2ncccn2)CC1 Fc1cccc(c1)[*:1] C[C@H](CO[*:1])OC(=O)C1CCN(CC1)c1ncccn1
CC(C)[C@@H](C(=O)NCC1CCC(C)(C)CC1)N1CCCS1(=O)=O O=S1(=O)CCCN1[*:1] CC(C)[C@@H](C(=O)NCC1CCC(C)(C)CC1)[*:1]
CC(C)[C@@H](C(=O)NCC1CCC(C)(C)CC1)N1CCCS1(=O)=O CC(C)[*:1] CC1(C)CCC(CC1)CNC(=O)[C@@H](N1CCCS1(=O)=O)[*:1]
CCC(C)(C)C1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 O=[N+]([O-])[*:1] CCC(C)(C)C1CCC(CC1)NC(=O)CCn1cc(cn1)[*:1]
CCC(C)(C)C1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 CCC(C)(C)[*:1] O=C(CCn1cc(cn1)[N+](=O)[O-])NC1CCC(CC1)[*:1]
CCC(C)(C)C1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 O=[N+]([O-])c1cnn(c1)[*:1] CCC(C)(C)C1CCC(CC1)NC(=O)CC[*:1]
CCOC(=O)N1CCN(C(=O)CSc2cc(N3CCN(c4ccccc4F)CC3)ncn2)CC1 Fc1ccccc1[*:1] CCOC(=O)N1CCN(CC1)C(=O)CSc1cc(ncn1)N1CCN(CC1)[*:1]
Cc1cc(C[C@@H](C)[NH2+][C@@H](C)C2CCCCC2)n[nH]1 C1CCC(CC1)[*:1] Cc1cc(C[C@@H](C)[NH2+][C@@H](C)[*:1])n[nH]1
Cc1cc(C[C@@H](C)[NH2+][C@@H](C)C2CCCCC2)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@H]([NH2+][C@H](C)C[*:1])C1CCCCC1
CC1(C)C(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1(C)C FC(F)(F)C[*:1] CC1(C)C(C(=O)N[C@@H]2CCN(C2)[*:1])C1(C)C
CC1(C)C(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1(C)C FC(F)(F)[*:1] CC1(C)C(C(=O)N[C@@H]2CCN(C2)C[*:1])C1(C)C
C#CCN(CC#C)CC(=O)N[C@@H](C)C(=O)N(C)C CN(C)C(=O)[*:1] C#CCN(CC#C)CC(=O)N[C@@H](C)[*:1]
C#CCN(CC#C)CC(=O)N[C@@H](C)C(=O)N(C)C C#CC[*:1] C#CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)[*:1]
Cc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1C CC(C)(C)c1ccc(cc1)[*:1] Cc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)[*:1])c(=O)[nH]c2c1C
Cc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1C CC(C)(C)[*:1] Cc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(cc3)[*:1])c(=O)[nH]c2c1C
Cc1ccc(C)c(N(C)Cc2noc(-c3ccoc3)n2)c1 c1cc(co1)[*:1] Cc1ccc(C)c(c1)N(C)Cc1noc(n1)[*:1]
O=C(c1cnc(Oc2ccccc2)cn1)N1CCOC2(CCCCCC2)C1 c1ccc(cc1)[*:1] O=C(c1cnc(cn1)O[*:1])N1CCOC2(CCCCCC2)C1
O=C(c1cnc(Oc2ccccc2)cn1)N1CCOC2(CCCCCC2)C1 c1ccc(cc1)O[*:1] O=C(c1cnc(cn1)[*:1])N1CCOC2(CCCCCC2)C1
CC(C)C[C@H](C(=O)N1CCN(C(C)C)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CC(C)C[*:1] CC(C)N1CCN(CC1)C(=O)[C@H](N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[*:1]
CC(C)C[C@H](C(=O)N1CCN(C(C)C)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CC(C)[*:1] CC(C)C[C@H](C(=O)N1CCN(CC1)[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
CC(C)C[C@H](C(=O)N1CCN(C(C)C)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CC(C)[*:1] CC(C)N1CCN(CC1)C(=O)[C@@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
COc1cccc2sc(NC(=O)[C@H](C)OC)nc12 CO[C@@H](C)[*:1] COc1cccc2sc(nc12)NC(=O)[*:1]
CO[C@H]1CCC[C@H]1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] O=C([O-])[*:1] CO[C@H]1CCC[C@H]1NC(=O)NC[C@H](CC(C)C)[*:1]
CO[C@H]1CCC[C@H]1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] CC(C)C[*:1] CO[C@H]1CCC[C@H]1NC(=O)NC[C@H](C(=O)[O-])[*:1]
CO[C@H]1CCC[C@H]1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] CC(C)[*:1] CO[C@H]1CCC[C@H]1NC(=O)NC[C@H](C[*:1])C(=O)[O-]
CCCC(CCC)CC(=O)Nc1ccc2oc(=O)n(C)c2c1 CCC[*:1] CCCC(CC(=O)Nc1ccc2oc(=O)n(C)c2c1)[*:1]
CCCC(CCC)CC(=O)Nc1ccc2oc(=O)n(C)c2c1 CCCC(CCC)[*:1] Cn1c(=O)oc2ccc(cc21)NC(=O)C[*:1]
CCn1ccc2cc(NC(=O)c3ccccn3)ccc21 c1ccc(nc1)[*:1] CCn1ccc2cc(ccc21)NC(=O)[*:1]
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1[*:1]
Cc1ccccc1OCC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 Cc1ccccc1[*:1] O=C(CO[*:1])N1CCN(CC1)Cc1nc(cs1)-c1ccc(Cl)cc1
Cc1ccccc1OCC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 Clc1ccc(cc1)[*:1] Cc1ccccc1OCC(=O)N1CCN(CC1)Cc1nc(cs1)[*:1]
Cc1ccccc1OCC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 Cc1ccccc1OC[*:1] O=C(N1CCN(CC1)Cc1nc(cs1)-c1ccc(Cl)cc1)[*:1]
Cc1ccccc1OCC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 Cc1ccccc1O[*:1] O=C(C[*:1])N1CCN(CC1)Cc1nc(cs1)-c1ccc(Cl)cc1
O=C(Cc1ccc[nH]1)N1CCC[C@H]1c1ccccc1 c1c[nH]c(c1)[*:1] O=C(C[*:1])N1CCC[C@H]1c1ccccc1
O=C(Cc1ccc[nH]1)N1CCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc[nH]1)N1CCC[C@@H]1[*:1]
O=C(Cc1ccc[nH]1)N1CCC[C@H]1c1ccccc1 c1c[nH]c(c1)C[*:1] O=C(N1CCC[C@H]1c1ccccc1)[*:1]
CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccnc1 CC(=O)[*:1] CC1Nc2ncnn2[C@H](C=1[*:1])c1cccnc1
CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccnc1 c1cncc(c1)[*:1] CC(=O)C1=C(C)Nc2ncnn2[C@@H]1[*:1]
COc1cc(C(=O)NCCc2nnc(N)s2)c([N+](=O)[O-])cc1OC Nc1nnc(C[*:1])s1 COc1cc(C(=O)NC[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)NCCc2nnc(N)s2)c([N+](=O)[O-])cc1OC Nc1nnc(s1)[*:1] COc1cc(C(=O)NCC[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)NCCc2nnc(N)s2)c([N+](=O)[O-])cc1OC Nc1nnc(CC[*:1])s1 COc1cc(C(=O)N[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(C(=O)NCCc2nnc(N)s2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(C(=O)NCCc2nnc(N)s2)c(cc1OC)[*:1]
CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCC2(C)C)C12CCCCC2 CCO[*:1] CC1(C)CCC[C@H]1[NH2+][C@@H]1C[C@@H](C12CCCCC2)[*:1]
Cc1ccc(C)c2c(Cl)cc(-c3nsc(N)n3)nc12 Nc1nc(ns1)[*:1] Cc1ccc(C)c2c(Cl)cc(nc12)[*:1]
CCc1noc(CCCC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)n1 CCc1noc(n1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)CCC[*:1]
CCC(CC)(NC(=O)N(CCC#N)C1CC1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)N(CCC#N)C1CC1)[*:1]
CCC(CC)(NC(=O)N(CCC#N)C1CC1)C(=O)[O-] N#CCC[*:1] CCC(CC)(NC(=O)N(C1CC1)[*:1])C(=O)[O-]
CCC(CC)(NC(=O)N(CCC#N)C1CC1)C(=O)[O-] N#CC[*:1] CCC(CC)(NC(=O)N(C[*:1])C1CC1)C(=O)[O-]
CCC(CC)(NC(=O)N(CCC#N)C1CC1)C(=O)[O-] C1CC1[*:1] CCC(CC)(NC(=O)N(CCC#N)[*:1])C(=O)[O-]
Clc1cnn(Cc2nc3c4ccccc4ncn3n2)c1 Clc1cnn(c1)[*:1] c1ccc2c(c1)ncn1nc(C[*:1])nc21
O=C(NC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1ccccc1F Fc1ccccc1[*:1] O=C(Nc1ccc(F)cc1)N1CCC(CC1)NC(=O)[*:1]
O=C(NC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1ccccc1F Fc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)N[*:1])c1ccccc1F
CCOc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1Cc1cccnc1 CCOc1ccccc1[*:1] c1cncc(c1)CN1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
CCOc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1Cc1cccnc1 CCO[*:1] c1cncc(c1)CN1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccccc1[*:1]
CCOc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1Cc1cccnc1 c1cncc(c1)[*:1] CCOc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C[*:1]
CCOc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1Cc1cccnc1 c1cncc(c1)C[*:1] CCOc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1[*:1]
Cc1ccc(NC(=O)CCn2nnc3cc(C(=O)NCc4cccc(Cl)c4)ccc32)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)nnn2CC[*:1]
Cc1ccc(NC(=O)CCn2nnc3cc(C(=O)NCc4cccc(Cl)c4)ccc32)cc1 Cc1ccc(cc1)[*:1] O=C(CCn1nnc2cc(ccc21)C(=O)NCc1cccc(Cl)c1)N[*:1]
Cc1ccc(NC(=O)CCn2nnc3cc(C(=O)NCc4cccc(Cl)c4)ccc32)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)CCn1nnc2cc(ccc21)C(=O)NC[*:1]
Cc1ccc(NC(=O)CCn2nnc3cc(C(=O)NCc4cccc(Cl)c4)ccc32)cc1 Clc1cccc(c1)C[*:1] Cc1ccc(cc1)NC(=O)CCn1nnc2cc(ccc21)C(=O)N[*:1]
CCNC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1 C[C@H](c1ccccc1)[*:1] CCNC(=O)COc1ccc(cc1)NC(=O)N[*:1]
CCNC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1 CCNC(=O)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)OC[*:1])c1ccccc1
CCNC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1 CCNC(=O)C[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)O[*:1])c1ccccc1
CCNC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCNC(=O)COc1ccc(cc1)NC(=O)N[C@H](C)[*:1]
CCNC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1 CCNC(=O)CO[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1ccccc1
CC1(CNC(=O)c2ncccc2C(F)(F)F)CCC1 FC(F)(F)[*:1] CC1(CCC1)CNC(=O)c1ncccc1[*:1]
CC1(CNC(=O)c2ncccc2C(F)(F)F)CCC1 CC1(CCC1)C[*:1] O=C(N[*:1])c1ncccc1C(F)(F)F
CC1(CNC(=O)c2ncccc2C(F)(F)F)CCC1 CC1(CCC1)[*:1] O=C(NC[*:1])c1ncccc1C(F)(F)F
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccnn1Cc1ccccn1 c1ccc(nc1)[*:1] C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccnn1C[*:1]
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccnn1Cc1ccccn1 c1ccc(C[*:1])nc1 C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccnn1[*:1]
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccnn1Cc1ccccn1 Clc1cccc(c1)[*:1] C[C@@H](N(C)C(=O)Nc1ccnn1Cc1ccccn1)[*:1]
CSc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)s1 N#CCC[*:1] CSc1nnc(S[C@@H](C)C(=O)N(c2ccccc2)[*:1])s1
CSc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)s1 CSc1nnc(s1)[*:1] C[C@H](S[*:1])C(=O)N(CCC#N)c1ccccc1
CSc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)s1 N#CC[*:1] CSc1nnc(S[C@@H](C)C(=O)N(C[*:1])c2ccccc2)s1
CSc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)s1 c1ccc(cc1)[*:1] CSc1nnc(S[C@@H](C)C(=O)N(CCC#N)[*:1])s1
CCC[C@@]1(C)CCCN(C(=O)C(=O)Nc2ccc([S@](C)=O)c(F)c2)C1 CCC[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)N1CCC[C@](C)(C1)[*:1]
CCC[C@@]1(C)CCCN(C(=O)C(=O)Nc2ccc([S@](C)=O)c(F)c2)C1 C[S@](=O)[*:1] CCC[C@@]1(C)CCCN(C1)C(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1
Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(C)c1Cl Cc1nn(C[*:1])c(C)c1Cl O=C(Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1)[*:1]
Cc1cnc(-c2cccc(NC(=O)N3CCC[C@@H]3C(N)=O)c2)o1 NC(=O)[*:1] Cc1cnc(o1)-c1cccc(c1)NC(=O)N1CCC[C@H]1[*:1]
Cc1cnc(-c2cccc(NC(=O)N3CCC[C@@H]3C(N)=O)c2)o1 Cc1cnc(o1)[*:1] NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(c1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)C1 Clc1ccccc1[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)CSc1nnc(N2CCCC2)n1[*:1]
NC(=O)[C@H]1CCCN(C(=O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)C1 NC(=O)[*:1] O=C(CSc1nnc(N2CCCC2)n1-c1ccccc1Cl)N1CCC[C@@H](C1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)C1 C1CCN(C1)[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)CSc1nnc(n1-c1ccccc1Cl)[*:1]
Cn1cc(C2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)cn1 Cn1cc(cn1)[*:1] c1ccc(cc1)-c1csc(C[NH+]2CCC(CC2)[*:1])n1
Cn1cc(C2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)C1CC[NH+](CC1)Cc1nc(cs1)[*:1]
C[C@@H](Cc1cccs1)N(C)[C@@H](C[NH3+])c1cccc(Cl)c1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)[C@@H](C[NH3+])c1cccc(Cl)c1
C[C@@H](Cc1cccs1)N(C)[C@@H](C[NH3+])c1cccc(Cl)c1 c1csc(c1)C[*:1] C[C@@H](N(C)[C@@H](C[NH3+])c1cccc(Cl)c1)[*:1]
CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 COc1ccc(cc1)[*:1] CCCc1nnc2S[C@H](C(=O)Nc3ccc(C)c(C)c3)[C@@H](Nn12)[*:1]
CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 CCC[*:1] COc1ccc(cc1)[C@H]1Nn2c(nnc2[*:1])S[C@@H]1C(=O)Nc1ccc(C)c(C)c1
CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 Cc1ccc(cc1C)[*:1] CCCc1nnc2S[C@H](C(=O)N[*:1])[C@H](Nn12)c1ccc(cc1)OC
C#CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 C#CCOc1cccc(c1)[*:1] Cc1nn(-c2nncc(n2)-c2ccccc2)c2NC(=O)C[C@H](c12)[*:1]
C#CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 C#CC[*:1] Cc1nn(-c2nncc(n2)-c2ccccc2)c2NC(=O)C[C@@H](c3cccc(c3)O[*:1])c12
C#CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 C#CCO[*:1] Cc1nn(-c2nncc(n2)-c2ccccc2)c2NC(=O)C[C@@H](c3cccc(c3)[*:1])c12
C#CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] C#CCOc1cccc(c1)[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nncc(n1)[*:1]
CCNC(=O)N1CCN(C(=O)C(=O)NCCCc2ccccc2)CC1 c1ccc(cc1)[*:1] CCNC(=O)N1CCN(CC1)C(=O)C(=O)NCCC[*:1]
CCNC(=O)N1CCN(C(=O)C(=O)NCCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCNC(=O)N1CCN(CC1)C(=O)C(=O)NCC[*:1]
CCNC(=O)N1CCN(C(=O)C(=O)NCCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CCNC(=O)N1CCN(CC1)C(=O)C(=O)NC[*:1]
O=C(c1ccccc1[N+](=O)[O-])N1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1[N+](=O)[O-])N1CC=C(CC1)[*:1]
O=C(c1ccccc1[N+](=O)[O-])N1CC=C(c2ccccc2)CC1 O=[N+]([O-])[*:1] O=C(c1ccccc1[*:1])N1CC=C(CC1)c1ccccc1
Cc1cc(S(=O)(=O)NC[C@@](C)(O)c2ccco2)sc1C c1coc(c1)[*:1] Cc1cc(sc1C)S(=O)(=O)NC[C@@](C)(O)[*:1]
O=C1N[C@@H](c2ccco2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 c1ccc(cc1)[*:1] O=C1N[C@@H](c2ccco2)[C@@H](C(=O)[*:1])[C@](O)(N1)C(F)(F)F
O=C1N[C@@H](c2ccco2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 O=C(c1ccccc1)[*:1] O=C1N[C@@H](c2ccco2)[C@@H]([C@](O)(N1)C(F)(F)F)[*:1]
O=C1N[C@@H](c2ccco2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 FC(F)(F)[*:1] O=C1N[C@@H](c2ccco2)[C@@H](C(=O)c2ccccc2)[C@@](O)(N1)[*:1]
O=C1N[C@@H](c2ccco2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 c1coc(c1)[*:1] O=C1N[C@@H]([C@@H](C(=O)c2ccccc2)[C@](O)(N1)C(F)(F)F)[*:1]
C[C@H](CC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1 FC(F)O[*:1] C[C@H](CC(=O)Nc1cc(C#N)ccc1[*:1])c1ccccc1
C[C@H](CC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1 FC(F)[*:1] C[C@H](CC(=O)Nc1cc(C#N)ccc1O[*:1])c1ccccc1
C[C@H](CC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)Nc1cc(C#N)ccc1OC(F)F)[*:1]
C[C@H](CC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1 C[C@H](c1ccccc1)[*:1] N#Cc1ccc(OC(F)F)c(c1)NC(=O)C[*:1]
CC(C)c1nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)s1 CC(C)[*:1] FC(F)(F)c1c[nH]c(n1)C1CCN(CC1)c1nnc(s1)[*:1]
CC(C)c1nnc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)s1 FC(F)(F)[*:1] CC(C)c1nnc(s1)N1CCC(CC1)c1nc(c[nH]1)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)[C@H]2CCO[C@H]2C)CC1 CC(C)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC1)C(=O)CC[*:1]
CC(C)CCC(=O)N1CCN(C(=O)[C@H]2CCO[C@H]2C)CC1 CC(C)CC[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)[C@H]2CCO[C@H]2C)CC1 CC(C)C[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(-c2cc(C(=O)N3CCN4C(=O)NC[C@H]4C3)c3ccccc3n2)cc1 COc1ccc(cc1)[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCN2C(=O)NC[C@H]2C1
CCCNC(=O)CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 CCCNC(=O)[*:1] CC[NH+]1CCN(CC1)c1ccccc1NC(=O)NC[*:1]
CCCNC(=O)CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 CCC[*:1] CC[NH+]1CCN(CC1)c1ccccc1NC(=O)NCC(=O)N[*:1]
CCCNC(=O)CNC(=O)Nc1ccccc1N1CC[NH+](CC)CC1 CCCNC(=O)C[*:1] CC[NH+]1CCN(CC1)c1ccccc1NC(=O)N[*:1]
C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nnc(n1-c1ccc(F)cc1)[*:1])c1ccccc1
C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)[*:1]
C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1[*:1])c1ccccc1
COc1ccccc1Nc1ncnc(N2CCc3ccccc3C2)c1N COc1ccccc1[*:1] Nc1c(ncnc1N1CCc2ccccc2C1)N[*:1]
C=CCSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1 C=CC[*:1] COc1ccc(cc1)[C@H]1CC(=O)NC(S[*:1])=C1C#N
C=CCSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1 C=CCS[*:1] COc1ccc(cc1)[C@H]1CC(=O)NC(=C1C#N)[*:1]
CCCNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O CCC[*:1] Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[*:1])c(C)c3cc12
CCCNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O CCCNC(=O)CC[*:1] Cc1coc2c(C)c3oc(=O)c(c(C)c3cc12)[*:1]
CCCNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O CCCNC(=O)C[*:1] Cc1coc2c(C)c3oc(=O)c(C[*:1])c(C)c3cc12
CCCNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O CCCNC(=O)[*:1] Cc1coc2c(C)c3oc(=O)c(CC[*:1])c(C)c3cc12
COC(=O)c1c(NC(=O)[C@H](C)n2c(=O)cc(C)c3cccc(C)c32)sc2c1CCCC2 COC(=O)[*:1] Cc1cc(=O)n(c2c(C)cccc12)[C@@H](C)C(=O)Nc1sc2CCCCc2c1[*:1]
CCOc1ncccc1C(=O)N1CC[C@H](c2nc(C)cc(C)n2)C1 CCO[*:1] Cc1cc(C)nc(n1)[C@H]1CCN(C1)C(=O)c1cccnc1[*:1]
CCOc1ncccc1C(=O)N1CC[C@H](c2nc(C)cc(C)n2)C1 Cc1cc(C)nc(n1)[*:1] CCOc1ncccc1C(=O)N1CC[C@H](C1)[*:1]
CCOC(=O)[C@]1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCCN(C(=O)CC)C1 Fc1cccc(c1)[*:1] CCOC(=O)[C@@]1(CCCN(C1)C(=O)CC)C[C@@H]1CC(=NO1)[*:1]
CCOC(=O)[C@]1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCCN(C(=O)CC)C1 CCOC(=O)[*:1] CCC(=O)N1CCC[C@@](C[C@@H]2CC(=NO2)c2cccc(F)c2)(C1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 O=S(=O)(N1CCCCCC1)[*:1] CN(Cc1ccc(F)cc1)C(=O)/C=C/c1ccc(cc1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 Fc1ccc(cc1)C[*:1] CN(C(=O)/C=C/c1ccc(cc1)S(=O)(=O)N1CCCCCC1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)/C=C/c1ccc(cc1)S(=O)(=O)N1CCCCCC1
COc1ccc(CC(=O)Nc2nnc(-c3ccccc3)s2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CC(=O)Nc1nnc(s1)[*:1]
COc1ccc(OC)c(/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c1 COc1ccc(OC)c(c1)[*:1] Cc1cccc(n1)NC(=O)c1cc2ccccc2oc1=[NH+][*:1]
COc1ccc(OC)c(/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c1 Cc1cccc(n1)[*:1] COc1ccc(OC)c(c1)/[NH+]=c1\oc2ccccc2cc1C(=O)N[*:1]
COc1ccc(OC)c(/[NH+]=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c1 Cc1cccc(n1)NC(=O)[*:1] COc1ccc(OC)c(c1)/[NH+]=c1\oc2ccccc2cc1[*:1]
CCCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 CCCCC[*:1] O=C(Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1)[*:1]
CCCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 CCC[*:1] O=C(CC[*:1])Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
CCCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 CCCC[*:1] O=C(C[*:1])Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
CCCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 CCCCCC(=O)N[*:1] O=S(=O)(c1cc(ccc1Cl)[*:1])N1CCOCC1
O=C(O[C@@H]1CCOC1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(O[C@@H]1CCOC1=O)c1ccc(c(c1)[*:1])N1CCOCC1
O=C(O[C@@H]1CCOC1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 C1CN(CCO1)[*:1] O=C(O[C@@H]1CCOC1=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C[NH2+]Cc1cccc(OCCC(N)=O)c1 NC(=O)CC[*:1] C[NH2+]Cc1cccc(c1)O[*:1]
C[NH2+]Cc1cccc(OCCC(N)=O)c1 NC(=O)[*:1] C[NH2+]Cc1cccc(c1)OCC[*:1]
C[NH2+]Cc1cccc(OCCC(N)=O)c1 NC(=O)C[*:1] C[NH2+]Cc1cccc(c1)OC[*:1]
C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)[*:1]
CCSc1nnc(N)n1[C@@H](C)C(=O)Nc1sc(C)c(C)c1C(=O)OC COC(=O)[*:1] CCSc1nnc(N)n1[C@@H](C)C(=O)Nc1sc(C)c(C)c1[*:1]
CCSc1nnc(N)n1[C@@H](C)C(=O)Nc1sc(C)c(C)c1C(=O)OC CCS[*:1] COC(=O)c1c(NC(=O)[C@H](C)n2c(N)nnc2[*:1])sc(C)c1C
COc1ccc(CNC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)CNC(=O)Cn1nc2c(nccn2c1=O)S[*:1]
COc1ccc(CNC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 Cc1ccc(S[*:1])c(C)c1 COc1ccc(cc1)CNC(=O)Cn1nc2c(nccn2c1=O)[*:1]
COc1ccc(CNC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(Sc2nccn3c(=O)n(CC(=O)NC[*:1])nc23)c(C)c1
COc1ccc(CNC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(Sc2nccn3c(=O)n(CC(=O)N[*:1])nc23)c(C)c1
O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(cc1)O[*:1]
O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(cc1)[*:1]
O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(OC(F)(F)F)cc1 c1ncn(n1)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1ccc(cc1)OC(F)(F)F
O=Cc1cn(C[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c2ccccc12 c1ccc(cc1)C[*:1] O=Cc1cn(C[C@H](O)CN2CC[NH+](CC2)[*:1])c2ccccc12
O=Cc1cn(C[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c2ccccc12 c1ccc(cc1)[*:1] O=Cc1cn(C[C@H](O)CN2CC[NH+](CC2)C[*:1])c2ccccc12
CCCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccccc1C#N CCC[*:1] Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2C#N)n1[*:1]
CCCN(Cc1cccc(Cl)c1)C(=O)c1cnc(CC)nc1 Clc1cccc(c1)[*:1] CCCN(C[*:1])C(=O)c1cnc(CC)nc1
CCCN(Cc1cccc(Cl)c1)C(=O)c1cnc(CC)nc1 CCC[*:1] CCc1ncc(cn1)C(=O)N(Cc1cccc(Cl)c1)[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 Cc1noc(C)c1C[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1O[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 Cc1noc(C)c1[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1OC[*:1]
Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 Cc1noc(C)c1CO[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1[*:1]
CCN(C[C@@H]1CCOC1)C(=O)Nc1cnccc1C C1C[C@H](CO1)C[*:1] CCN(C(=O)Nc1cnccc1C)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)Nc1cnccc1C C1C[C@H](CO1)[*:1] CCN(C[*:1])C(=O)Nc1cnccc1C
CC(C)c1n[nH]c(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)n1 CC(C)[*:1] Cn1cc(C(=O)Nc2nc(n[nH]2)[*:1])c(n1)-c1ccc(F)cc1F
CC(C)c1n[nH]c(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)n1 Fc1ccc(c(F)c1)[*:1] CC(C)c1n[nH]c(n1)NC(=O)c1cn(C)nc1[*:1]
CC(C)c1n[nH]c(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)n1 CC(C)c1n[nH]c(n1)[*:1] Cn1cc(C(=O)N[*:1])c(n1)-c1ccc(F)cc1F
CCC[C@@H]1CN(C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)CCO1 CC(C)[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1c(C)cc(=O)n(CC(=O)N[*:1])c1C
CCC[C@@H]1CN(C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)CCO1 CC(C)NC(=O)[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1c(C)cc(=O)n(C[*:1])c1C
CCC[C@@H]1CN(C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)CCO1 CC(C)NC(=O)C[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1c(C)cc(=O)n(c1C)[*:1]
CCC[C@@H]1CN(C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)CCO1 CCC[*:1] Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCO[C@@H](C1)[*:1]
CCCN(Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O c1ccc(cc1)C[*:1] CCCN(C(=O)c1cc2ccccc2oc1=O)[*:1]
CCCN(Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O CCC[*:1] O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)[*:1]
CCCN(Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O c1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)c1cc2ccccc2oc1=O
CCc1nn(C)c(Cl)c1C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CCc1nn(C)c(Cl)c1C(=O)NCc1ccnc(c1)[*:1]
CCc1nn(C)c(Cl)c1C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CCc1nn(C)c(Cl)c1C(=O)NCc1ccnc(c1)O[*:1]
COc1cccc([S@@](=O)CCC(=O)Nc2ccccc2C)c1 Cc1ccccc1[*:1] COc1cccc(c1)[S@@](=O)CCC(=O)N[*:1]
Cc1cc(NC(=O)C(=O)N[C@H](C)Cc2ccccc2F)c2ncccc2c1 Fc1ccccc1[*:1] Cc1cc(NC(=O)C(=O)N[C@H](C)C[*:1])c2ncccc2c1
Cc1cc(NC(=O)C(=O)N[C@H](C)Cc2ccccc2F)c2ncccc2c1 Fc1ccccc1C[*:1] Cc1cc(NC(=O)C(=O)N[C@H](C)[*:1])c2ncccc2c1
CC(C)Oc1ccccc1CS(=O)(=O)c1ccc2c(c1)OCCCO2 CC(C)[*:1] O=S(=O)(Cc1ccccc1O[*:1])c1ccc2OCCCOc2c1
CC(C)Oc1ccccc1CS(=O)(=O)c1ccc2c(c1)OCCCO2 CC(C)O[*:1] O=S(=O)(Cc1ccccc1[*:1])c1ccc2OCCCOc2c1
COC(=O)c1cc2n(n1)CCN(c1cc(OC)nc(OC)n1)C2 COC(=O)[*:1] COc1cc(nc(n1)OC)N1CCn2nc(cc2C1)[*:1]
O=C(NCc1ccco1)c1cc2cc3ccc(Cl)cc3nc2o1 c1coc(c1)C[*:1] O=C(N[*:1])c1cc2cc3ccc(Cl)cc3nc2o1
O=C(NCc1ccco1)c1cc2cc3ccc(Cl)cc3nc2o1 c1coc(c1)[*:1] O=C(NC[*:1])c1cc2cc3ccc(Cl)cc3nc2o1
CCc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCC2)cc1 CCc1ccc(cc1)[*:1] N#Cc1cnn2c(NC3CCCCC3)c([nH]c12)[*:1]
CCc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCC2)cc1 C1CCC(CC1)N[*:1] CCc1ccc(cc1)-c1[nH]c2c(C#N)cnn2c1[*:1]
CCc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCC2)cc1 C1CCC(CC1)[*:1] CCc1ccc(cc1)-c1[nH]c2c(C#N)cnn2c1N[*:1]
CCCc1cc(NC(=O)C(=O)N2C[C@@H]3CC[C@H]2C3)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)C(=O)N1C[C@@H]2CC[C@H]1C2)[*:1]
Cc1occc1-c1nnc(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n1N Cc1occc1[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Sc1nnc(n1N)[*:1]
COC(OC)[C@@]1(C)Nc2ccccc2C(=O)N1c1ccccc1C(C)C CC(C)[*:1] COC(OC)[C@@]1(C)Nc2ccccc2C(=O)N1c1ccccc1[*:1]
O=C([O-])c1ccc(Cl)cc1-c1ccc(C(F)(F)F)cc1 O=C([O-])[*:1] FC(F)(F)c1ccc(cc1)-c1cc(Cl)ccc1[*:1]
O=C([O-])c1ccc(Cl)cc1-c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C([O-])c1ccc(Cl)cc1-c1ccc(cc1)[*:1]
N#Cc1ccccc1OCC(=O)Nc1cccc(N2CCCCCC2)c1 N#Cc1ccccc1[*:1] O=C(CO[*:1])Nc1cccc(c1)N1CCCCCC1
N#Cc1ccccc1OCC(=O)Nc1cccc(N2CCCCCC2)c1 C1CCCN(CC1)[*:1] N#Cc1ccccc1OCC(=O)Nc1cccc(c1)[*:1]
O=C(Cc1ccc(Cl)cc1)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1 Clc1ccc(cc1)[*:1] O=C(C[*:1])N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1
O=C(Cc1ccc(Cl)cc1)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc(Cl)cc1)N[C@H]1[C@H](O)[C@H](O)C[C@H]1[*:1]
O=C(Cc1ccc(Cl)cc1)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1 Clc1ccc(cc1)C[*:1] O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1)[*:1]
CC(C)CN1CCO[C@H](CNC(=O)C[C@H](O)c2cccc(F)c2)C1 CC(C)[*:1] O=C(C[C@H](O)c1cccc(F)c1)NC[C@@H]1CN(CCO1)C[*:1]
CC(C)CN1CCO[C@H](CNC(=O)C[C@H](O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CC(C)CN1CCO[C@H](CNC(=O)C[C@H](O)[*:1])C1
CC(C)CN1CCO[C@H](CNC(=O)C[C@H](O)c2cccc(F)c2)C1 CC(C)C[*:1] O=C(C[C@H](O)c1cccc(F)c1)NC[C@@H]1CN(CCO1)[*:1]
Cc1ccc(CN(C)Cc2cccc(C(=O)N3CCCCC3)c2)s1 Cc1ccc(C[*:1])s1 CN(Cc1cccc(c1)C(=O)N1CCCCC1)[*:1]
Cc1ccc(CN(C)Cc2cccc(C(=O)N3CCCCC3)c2)s1 Cc1ccc(s1)[*:1] CN(Cc1cccc(c1)C(=O)N1CCCCC1)C[*:1]
Cc1ccc(CN(C)Cc2cccc(C(=O)N3CCCCC3)c2)s1 O=C(N1CCCCC1)[*:1] Cc1ccc(CN(C)Cc2cccc(c2)[*:1])s1
O=S(=O)(NCCc1ccsc1)c1ccc(F)cc1 c1cc(cs1)[*:1] O=S(=O)(NCC[*:1])c1ccc(F)cc1
O=S(=O)(NCCc1ccsc1)c1ccc(F)cc1 c1cc(cs1)C[*:1] O=S(=O)(NC[*:1])c1ccc(F)cc1
COCc1cccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 COC[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(c1)[*:1]
COCc1cccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 Clc1ccc(cc1Cl)[*:1] COCc1cccc(c1)C(=O)N(C)CC(=O)N[*:1]
COCCCN(C)C(=O)NCC1([NH+](C)C)CCOCC1 COC[*:1] CN(CC[*:1])C(=O)NCC1(CCOCC1)[NH+](C)C
COCCCN(C)C(=O)NCC1([NH+](C)C)CCOCC1 COCC[*:1] CN(C[*:1])C(=O)NCC1(CCOCC1)[NH+](C)C
COCCCN(C)C(=O)NCC1([NH+](C)C)CCOCC1 COCCC[*:1] CN(C(=O)NCC1(CCOCC1)[NH+](C)C)[*:1]
CNC(=O)CN(C)C(=O)CN(C)C(=O)c1cccs1 CNC(=O)[*:1] CN(C[*:1])C(=O)CN(C)C(=O)c1cccs1
CNC(=O)CN(C)C(=O)CN(C)C(=O)c1cccs1 c1csc(c1)[*:1] CNC(=O)CN(C)C(=O)CN(C)C(=O)[*:1]
CNC(=O)CN(C)C(=O)CN(C)C(=O)c1cccs1 CNC(=O)C[*:1] CN(CC(=O)N(C)[*:1])C(=O)c1cccs1
COc1ccc(OC)c(-n2nnnc2S[C@@H](C)c2nc3ccccc3n2C(F)F)c1 FC(F)[*:1] COc1ccc(OC)c(c1)-n1nnnc1S[C@@H](C)c1nc2ccccc2n1[*:1]
COc1ccc(OC)c(-n2nnnc2S[C@@H](C)c2nc3ccccc3n2C(F)F)c1 COc1ccc(OC)c(c1)[*:1] C[C@H](Sc1nnnn1[*:1])c1nc2ccccc2n1C(F)F
C[C@H](NC(=O)[C@@H]1CCO[C@H]1C)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)[C@@H]1CCO[C@H]1C)c1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1C CN(C)C(=O)C[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1C CN(C)C(=O)[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C[*:1]
COc1cc(CN2CCO[C@@H](CC(=O)[O-])C2)ccc1O O=C([O-])[*:1] COc1cc(ccc1O)CN1CCO[C@H](C1)C[*:1]
COc1cc(CN2CCO[C@@H](CC(=O)[O-])C2)ccc1O O=C([O-])C[*:1] COc1cc(ccc1O)CN1CCO[C@@H](C1)[*:1]
CC(C)c1nnc(CN2C[C@@H](C)Oc3cc(F)ccc32)o1 CC(C)[*:1] C[C@@H]1CN(Cc2nnc(o2)[*:1])c2ccc(F)cc2O1
CC[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)[*:1]
O=C(CSc1nc(=O)[nH]c2c1CCCC2)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nc(=O)[nH]c2CCCCc12)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2C)C1=O Cc1ccccc1C[*:1] CC[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2C)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)NCc2ccccc2C)C1=O)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2C)C1=O Cc1ccccc1[*:1] CC[C@@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1ccccc1
C(=C\c1ccccc1)\C[NH+]1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 C(=C[*:1])c1ccccc1 c1nc(c2c3CCCCc3sc2n1)N1CC[NH+](CC1)C[*:1]
C(=C\c1ccccc1)\C[NH+]1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 C(=C\c1ccccc1)\C[*:1] c1nc(c2c3CCCCc3sc2n1)N1CC[NH+](CC1)[*:1]
C(=C\c1ccccc1)\C[NH+]1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 c1ccc(cc1)[*:1] C(=C[*:1])C[NH+]1CCN(CC1)c1ncnc2sc3CCCCc3c12
CC[C@H](NC(=O)NCC(=O)NCc1ccco1)c1ccc(Cl)cc1 c1coc(c1)C[*:1] CC[C@H](NC(=O)NCC(=O)N[*:1])c1ccc(Cl)cc1
CC[C@H](NC(=O)NCC(=O)NCc1ccco1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)NCC(=O)NCc1ccco1)[*:1]
CC[C@H](NC(=O)NCC(=O)NCc1ccco1)c1ccc(Cl)cc1 c1coc(c1)[*:1] CC[C@H](NC(=O)NCC(=O)NC[*:1])c1ccc(Cl)cc1
COc1cc(Cl)c(C)cc1NC(=O)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(Cl)c(C)cc1NC(=O)C(=O)N[*:1]
COc1cc(Cl)c(C)cc1NC(=O)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)C(=O)NC[*:1]
O=C(Nc1cnn(CC(F)F)c1)C1=Cc2cc(F)ccc2OC1 FC(F)[*:1] O=C(Nc1cnn(c1)C[*:1])C1=Cc2cc(F)ccc2OC1
O=C(Nc1cnn(CC(F)F)c1)C1=Cc2cc(F)ccc2OC1 FC(F)C[*:1] O=C(Nc1cnn(c1)[*:1])C1=Cc2cc(F)ccc2OC1
CCN(Cc1ccccn1)S(=O)(=O)c1cc(Cl)ccc1C c1ccc(nc1)[*:1] CCN(C[*:1])S(=O)(=O)c1cc(Cl)ccc1C
CCN(Cc1ccccn1)S(=O)(=O)c1cc(Cl)ccc1C c1ccc(C[*:1])nc1 CCN(S(=O)(=O)c1cc(Cl)ccc1C)[*:1]
COCC(=O)N[C@H]1CC[C@@H](SC)C1 COC[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)[*:1]
CC[NH+](CC)[C@H]1CCC[C@]([NH2+]C)(C(=O)[O-])C1 CC[NH+](CC)[*:1] C[NH2+][C@@]1(CCC[C@@H](C1)[*:1])C(=O)[O-]
CC[NH+](CC)[C@H]1CCC[C@]([NH2+]C)(C(=O)[O-])C1 O=C([O-])[*:1] CC[NH+](CC)[C@H]1CCC[C@@](C1)([NH2+]C)[*:1]
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NC[C@H]1CCCO1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1NC(=O)NC[C@H]1CCCO1)[*:1]
CC[NH2+][C@@H](Cc1ccccc1)c1ccc(Cl)c(OC)c1 c1ccc(cc1)[*:1] CC[NH2+][C@@H](C[*:1])c1ccc(Cl)c(c1)OC
O=C1C[C@H](C(=O)Nc2cccnc2-n2cccn2)c2ccccc2N1 c1cnn(c1)[*:1] O=C1C[C@H](C(=O)Nc2cccnc2[*:1])c2ccccc2N1
C[C@@H]1CC(=O)c2cnc(NC(=O)CSc3nc(O)cc(-c4ccccc4)n3)nc2C1 c1ccc(cc1)[*:1] C[C@@H]1CC(=O)c2cnc(nc2C1)NC(=O)CSc1nc(O)cc(n1)[*:1]
CN(Cc1ccc(Cl)nc1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1ccc(Cl)nc1)C(=O)NC[*:1]
CN(Cc1ccc(Cl)nc1)C(=O)NCc1ccc(F)cc1 Clc1ccc(cn1)[*:1] CN(C[*:1])C(=O)NCc1ccc(F)cc1
Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2F)cc1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)C(=C[*:1])NC(=O)c1ccccc1F
Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])NC(=O)[*:1]
Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2F)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])/C(=C/c1cccc(c1)[N+](=O)[O-])NC(=O)c1ccccc1F
Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2F)cc1 O=C(N[*:1])c1ccccc1F Cc1ccc(cc1)NC(=O)C(=Cc1cccc(c1)[N+](=O)[O-])[*:1]
Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2F)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)NC(=O)/C(=C/c1cccc(c1)[*:1])NC(=O)c1ccccc1F
Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2F)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C(N/C(=C\c1cccc(c1)[N+](=O)[O-])[*:1])c1ccccc1F
CS(=O)(=O)c1ccc(-c2nc(CSc3ncc[nH]3)cs2)cc1 c1c[nH]c(n1)[*:1] CS(=O)(=O)c1ccc(cc1)-c1nc(cs1)CS[*:1]
CS(=O)(=O)c1ccc(-c2nc(CSc3ncc[nH]3)cs2)cc1 c1c[nH]c(n1)S[*:1] CS(=O)(=O)c1ccc(cc1)-c1nc(cs1)C[*:1]
CS(=O)(=O)c1ccc(-c2nc(CSc3ncc[nH]3)cs2)cc1 c1c[nH]c(n1)SC[*:1] CS(=O)(=O)c1ccc(cc1)-c1nc(cs1)[*:1]
CS(=O)(=O)c1ccc(-c2nc(CSc3ncc[nH]3)cs2)cc1 CS(=O)(=O)[*:1] c1c[nH]c(n1)SCc1csc(n1)-c1ccc(cc1)[*:1]
N#Cc1cccc(N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)n1 C1CCC(CC1)[*:1] N#Cc1cccc(n1)N1CC[C@]2(CCCN(C2=O)[*:1])C1
N#Cc1cccc(N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)n1 N#Cc1cccc(n1)[*:1] O=C1N(CCC[C@]12CCN(C2)[*:1])C1CCCCC1
CCCN1C(=O)CCc2cc(NC(=O)N(CC)C[C@@H]3CCCO3)ccc21 CCC[*:1] CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCCN1C(=O)CCc2cc(NC(=O)N(CC)C[C@@H]3CCCO3)ccc21 C1CO[C@@H](C1)C[*:1] CCCN1C(=O)CCc2cc(ccc21)NC(=O)N(CC)[*:1]
COc1ccc2c(c1)[C@H]([NH3+])[C@H](Sc1nnnn1C)CC2 Cn1nnnc1[*:1] COc1ccc2CC[C@@H](S[*:1])[C@@H]([NH3+])c2c1
CCCN1C(=O)/C(=N/OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c2ccccc21 Clc1ccc(cc1)[*:1] CCCN1C(=O)/C(=N/OCC(=O)N2N=C(C[C@H]2c2ccco2)[*:1])c2ccccc21
CCCN1C(=O)/C(=N/OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c2ccccc21 CCC[*:1] O=C(CO/N=C1/C(=O)N(c2ccccc21)[*:1])N1N=C(C[C@H]1c1ccco1)c1ccc(Cl)cc1
CCCN1C(=O)/C(=N/OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c2ccccc21 c1coc(c1)[*:1] CCCN1C(=O)/C(=N/OCC(=O)N2N=C(C[C@@H]2[*:1])c2ccc(Cl)cc2)c2ccccc21
C[C@H](C(=O)Nc1ccc(Br)cc1)[N+](C)(C)C1CCCC1 C1CCC(C1)[*:1] C[C@H](C(=O)Nc1ccc(Br)cc1)[N+](C)(C)[*:1]
CC[C@H]1CCCN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)C1 CC(C)[*:1] CC[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)Cn1ccnc1[*:1]
CC[C@H]1CCCN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)C1 CC(C)c1nccn1[*:1] CC[C@H]1CCCN(C1)C(=O)Nc1cccc(c1)C[*:1]
COc1ccc([C@H](NC(=O)c2cc(C)nc3c2cnn3C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1cc(C)nc2c1cnn2C)[*:1]
COc1ccc([C@H](NC(=O)c2cc(C)nc3c2cnn3C)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C(=O)N[C@H](C2CCOCC2)[*:1])c2cnn(C)c2n1
CN(C[C@@H](O)c1ccccc1)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 c1cc(ccn1)[*:1] CN(C[C@@H](O)c1ccccc1)C(=O)C1CCN(CC1)c1cccc2C(=O)N(C[*:1])C(=O)c21
CN(C[C@@H](O)c1ccccc1)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 c1cc(ccn1)C[*:1] CN(C[C@@H](O)c1ccccc1)C(=O)C1CCN(CC1)c1cccc2C(=O)N(C(=O)c21)[*:1]
CN(C[C@@H](O)c1ccccc1)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 c1ccc(cc1)[*:1] CN(C[C@@H](O)[*:1])C(=O)C1CCN(CC1)c1cccc2C(=O)N(Cc3ccncc3)C(=O)c21
C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] C[C@@H]1CO[C@H](CN1Cc1ccc(o1)[*:1])c1ccccc1Cl
C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1ccc([N+](=O)[O-])o1 Clc1ccccc1[*:1] C[C@@H]1CO[C@@H](CN1Cc1ccc(o1)[N+](=O)[O-])[*:1]
O=C1c2ccccc2C(=O)N1CC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C1c2ccccc2C(=O)N1CC(=O)N(C(=O)N[*:1])C1CCCCC1
O=C1c2ccccc2C(=O)N1CC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C1c2ccccc2C(=O)N1CC(=O)N(C(=O)NC1CCCCC1)[*:1]
O=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] O=C(c1ccc(cc1)CNC(=O)[*:1])N1CCCC1
O=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)C(=O)N1CCCC1)[C@@H](O)[*:1]
O=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H](O)c1ccccc1 O=C(N1CCCC1)[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H](O)c1ccccc1
CCNc1nnc(SCc2ccc(Cl)cc2Cl)s1 CCN[*:1] Clc1ccc(CSc2nnc(s2)[*:1])c(Cl)c1
O=C(Cc1coc2cc3c(cc12)CCC3)N[C@H](CO)c1ccccc1F Fc1ccccc1[*:1] O=C(Cc1coc2cc3CCCc3cc12)N[C@H](CO)[*:1]
CN1CC[C@@H](NC(=O)N(Cc2ccccc2F)C2CCC2)C1=O Fc1ccccc1[*:1] CN1CC[C@@H](NC(=O)N(C[*:1])C2CCC2)C1=O
CN1CC[C@@H](NC(=O)N(Cc2ccccc2F)C2CCC2)C1=O C1CC(C1)[*:1] CN1CC[C@@H](NC(=O)N(Cc2ccccc2F)[*:1])C1=O
CCOCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 CCO[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CCOCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(C1)[*:1]
CCOCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 CCOCC[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)N(C)[*:1]
CCOCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 CCOC[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)N(C)C[*:1]
O=S(=O)(CCCc1ccccc1)Cc1ccc(F)cc1 c1ccc(cc1)[*:1] O=S(=O)(CCC[*:1])Cc1ccc(F)cc1
CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H](C)S(C)(=O)=O)n2)cc1 CC(=O)N[*:1] C[C@H](C(=O)Nc1nc(cs1)-c1ccc(cc1)C[*:1])S(C)(=O)=O
CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H](C)S(C)(=O)=O)n2)cc1 CC(=O)NC[*:1] C[C@H](C(=O)Nc1nc(cs1)-c1ccc(cc1)[*:1])S(C)(=O)=O
CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H](C)S(C)(=O)=O)n2)cc1 CS(=O)(=O)[*:1] CC(=O)NCc1ccc(cc1)-c1csc(n1)NC(=O)[C@@H](C)[*:1]
C[C@@H](CC(=O)[O-])NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 O=C([O-])[*:1] C[C@@H](C[*:1])NC(=O)/C=C/c1cc(Cl)cc(Cl)c1
C[C@@H](CC(=O)[O-])NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 O=C([O-])C[*:1] C[C@@H](NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)[*:1]
O=C(NCC1(c2ccccc2)CCOCC1)c1ccc([C@@H]2CCCO2)s1 c1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])c1ccc(s1)[C@@H]1CCCO1
C[C@@H](CC(=O)NC[C@@H](O)c1ccccc1Cl)NC(=O)C1CCCC1 Clc1ccccc1[*:1] C[C@@H](CC(=O)NC[C@@H](O)[*:1])NC(=O)C1CCCC1
C[C@@H](CC(=O)NC[C@@H](O)c1ccccc1Cl)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@@H](CC(=O)NC[C@@H](O)c1ccccc1Cl)NC(=O)[*:1]
C[C@@H](CC(=O)NC[C@@H](O)c1ccccc1Cl)NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 C[C@@H](CC(=O)NC[C@@H](O)c1ccccc1Cl)[*:1]
COc1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1OC Brc1ccccc1[*:1] COc1ccc(cc1OC)NC(=S)NC(=O)[*:1]
Cc1ccc(-c2noc(CS(=O)(=O)c3ccc(F)cc3)n2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Cc1nc(no1)[*:1])c1ccc(F)cc1
Cc1ccc(-c2noc(CS(=O)(=O)c3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1noc(CS(=O)(=O)[*:1])n1
Cc1occc1C(=O)NCC(=O)NCCc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] Cc1occc1C(=O)NCC(=O)NCCc1nc(cs1)[*:1]
Cc1occc1C(=O)NCC(=O)NCCc1nc(C(C)(C)C)cs1 Cc1occc1[*:1] CC(C)(C)c1csc(CCNC(=O)CNC(=O)[*:1])n1
O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)Nc1ccc(Cl)c(Cl)c1 Fc1cccc(F)c1[*:1] O=C(CSc1nnc(CNC(=O)[*:1])o1)Nc1ccc(Cl)c(Cl)c1
O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)N[*:1]
NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2C(F)(F)F)s1 NC(=O)C[*:1] O=C(Nc1sc(nc1-c1ccccc1)S[*:1])c1ccccc1C(F)(F)F
NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2C(F)(F)F)s1 NC(=O)CS[*:1] O=C(Nc1sc(nc1-c1ccccc1)[*:1])c1ccccc1C(F)(F)F
NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2C(F)(F)F)s1 c1ccc(cc1)[*:1] NC(=O)CSc1nc(c(NC(=O)c2ccccc2C(F)(F)F)s1)[*:1]
NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2C(F)(F)F)s1 NC(=O)[*:1] O=C(Nc1sc(nc1-c1ccccc1)SC[*:1])c1ccccc1C(F)(F)F
NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2C(F)(F)F)s1 FC(F)(F)[*:1] NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2[*:1])s1
C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)COCO2 C=CC[*:1] O=C(c1ccc2OCOCc2c1)N(CC(F)(F)F)[*:1]
C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)COCO2 FC(F)(F)C[*:1] C=CCN(C(=O)c1ccc2OCOCc2c1)[*:1]
C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)COCO2 FC(F)(F)[*:1] C=CCN(C[*:1])C(=O)c1ccc2OCOCc2c1
CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 CCOC(=O)[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)[*:1])c1ccc(Cl)cc1
CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
Fc1ccccc1-c1noc2c1CN(c1ncccn1)CC2 Fc1ccccc1[*:1] c1cnc(nc1)N1CCc2onc(c2C1)[*:1]
Fc1ccccc1-c1noc2c1CN(c1ncccn1)CC2 c1cnc(nc1)[*:1] Fc1ccccc1-c1noc2CCN(Cc12)[*:1]
C[C@H]1OCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@@H]1C C1CO[C@@H](C1)[*:1] C[C@H]1OCCN(Cc2ccc(cc2)OC[*:1])[C@@H]1C
C[C@H]1OCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@@H]1C C1CO[C@@H](C1)CO[*:1] C[C@H]1OCCN(Cc2ccc(cc2)[*:1])[C@@H]1C
C[C@H]1OCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@@H]1C C1CO[C@@H](C1)C[*:1] C[C@H]1OCCN(Cc2ccc(cc2)O[*:1])[C@@H]1C
Cc1ccc(N2C(=O)CCC2=O)cc1NCc1cnc2ccc(C#N)cn12 O=C1CCC(=O)N1[*:1] Cc1ccc(cc1NCc1cnc2ccc(C#N)cn12)[*:1]
Cc1cc(C)nc(S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 CC(C)(C)[*:1] Cc1cc(C)nc(n1)S(=O)(=O)[C@H]1CCN(C1)C(=O)O[*:1]
CCOc1nnc(CN2CCC[C@@H]2Cn2cc(C)cn2)s1 Cc1cnn(c1)C[*:1] CCOc1nnc(CN2CCC[C@H]2[*:1])s1
CCOc1nnc(CN2CCC[C@@H]2Cn2cc(C)cn2)s1 CCO[*:1] Cc1cnn(c1)C[C@H]1CCCN1Cc1nnc(s1)[*:1]
CCOc1nnc(CN2CCC[C@@H]2Cn2cc(C)cn2)s1 Cc1cnn(c1)[*:1] CCOc1nnc(CN2CCC[C@@H]2C[*:1])s1
CC[C@@H](Sc1nnc2c(=O)n(-c3ccccc3OC)ccn12)C(=O)Nc1cc(C)ccc1C COc1ccccc1[*:1] CC[C@@H](Sc1nnc2c(=O)n(ccn12)[*:1])C(=O)Nc1cc(C)ccc1C
CC[C@@H](Sc1nnc2c(=O)n(-c3ccccc3OC)ccn12)C(=O)Nc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CC[C@@H](Sc1nnc2c(=O)n(ccn12)-c1ccccc1OC)C(=O)N[*:1]
CC[C@@H](Sc1nnc2c(=O)n(-c3ccccc3OC)ccn12)C(=O)Nc1cc(C)ccc1C Cc1ccc(C)c(c1)NC(=O)[*:1] CC[C@@H](Sc1nnc2c(=O)n(ccn12)-c1ccccc1OC)[*:1]
CN(c1ccccc1)C1CCN(C(=O)Nc2nccs2)CC1 c1csc(n1)[*:1] CN(c1ccccc1)C1CCN(CC1)C(=O)N[*:1]
CN(c1ccccc1)C1CCN(C(=O)Nc2nccs2)CC1 c1ccc(cc1)[*:1] CN(C1CCN(CC1)C(=O)Nc1nccs1)[*:1]
CCCN1CCO[C@H]([C@H](O)c2cnccn2)C1 CCC[*:1] O[C@H](c1cnccn1)[C@@H]1CN(CCO1)[*:1]
COCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2OC)c1=O COc1ccccc1[*:1] COCCn1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
COCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2OC)c1=O COC[*:1] COc1ccccc1NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
COCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2OC)c1=O COCC[*:1] COc1ccccc1NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
CCCc1noc(CN2CCC[C@H](c3nc4ccccc4o3)C2)n1 CCC[*:1] c1ccc2oc(nc2c1)[C@H]1CCCN(Cc2nc(no2)[*:1])C1
CCCc1noc(CN2CCC[C@H](c3nc4ccccc4o3)C2)n1 CCCc1noc(n1)[*:1] c1ccc2oc(nc2c1)[C@H]1CCCN(C1)C[*:1]
CCS[C@H](C)c1noc(CN(C)Cc2c[nH]nc2C)n1 Cc1n[nH]cc1[*:1] CCS[C@H](C)c1noc(CN(C)C[*:1])n1
CCS[C@H](C)c1noc(CN(C)Cc2c[nH]nc2C)n1 CCS[C@H](C)[*:1] Cc1n[nH]cc1CN(C)Cc1nc(no1)[*:1]
CCS[C@H](C)c1noc(CN(C)Cc2c[nH]nc2C)n1 CCS[*:1] Cc1n[nH]cc1CN(C)Cc1nc(no1)[C@@H](C)[*:1]
Cc1ccc(N2CC[C@H](C(=O)N[C@H](C)c3cc(C)oc3C)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)[C@H]1CCN(C1=O)[*:1]
Cc1ccc(N2CC[C@H](C(=O)N[C@H](C)c3cc(C)oc3C)C2=O)cc1 Cc1cc(c(C)o1)[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)N[C@H](C)[*:1])C1=O
C[C@H]1CCc2n[nH]c(-c3nc(-c4cccnc4)no3)c2C1 c1cncc(c1)[*:1] C[C@H]1CCc2n[nH]c(-c3nc(no3)[*:1])c2C1
Nc1c(-c2ccc(F)cc2)nsc1C(=O)NCCc1cccs1 c1csc(c1)[*:1] Nc1c(nsc1C(=O)NCC[*:1])-c1ccc(F)cc1
Nc1c(-c2ccc(F)cc2)nsc1C(=O)NCCc1cccs1 c1csc(c1)C[*:1] Nc1c(nsc1C(=O)NC[*:1])-c1ccc(F)cc1
Nc1c(-c2ccc(F)cc2)nsc1C(=O)NCCc1cccs1 c1csc(c1)CC[*:1] Nc1c(nsc1C(=O)N[*:1])-c1ccc(F)cc1
Nc1c(-c2ccc(F)cc2)nsc1C(=O)NCCc1cccs1 Fc1ccc(cc1)[*:1] Nc1c(nsc1C(=O)NCCc1cccs1)[*:1]
CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 C1CO[C@@H](C1)C[*:1] CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)[*:1])O2
CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 CCCOC(=O)[*:1] O=C1[C@@H]2[C@@H]([C@H]3C=C[C@]2(CN1C[C@@H]1CCCO1)O3)[*:1]
CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 C1CO[C@@H](C1)[*:1] CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[*:1])C(=O)[C@H]13)O2
CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2 CCC[*:1] O=C(O[*:1])[C@@H]1[C@H]2C=C[C@]3(CN(C[C@@H]4CCCO4)C(=O)[C@H]13)O2
COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1=O COc1ccc(C)cc1[*:1] Cn1c(=O)n(C)c2cc(ccc21)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COC[C@H](NC(=O)c1ccc2c(c1)CCCC2)C(N)=O COC[*:1] NC(=O)[C@@H](NC(=O)c1ccc2CCCCc2c1)[*:1]
COC[C@H](NC(=O)c1ccc2c(c1)CCCC2)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)c1ccc2CCCCc2c1)[*:1]
CC[C@H]1CCC[C@]2(C1)C(=N)NC(=O)N2C(C)C CC(C)[*:1] CC[C@H]1CCC[C@]2(C1)C(=N)NC(=O)N2[*:1]
CCCOc1ccc2c(=O)c(-c3cc(C(=O)OC)oc3C)c(C)oc2c1 COC(=O)[*:1] CCCOc1ccc2c(=O)c(-c3cc(oc3C)[*:1])c(C)oc2c1
CCCOc1ccc2c(=O)c(-c3cc(C(=O)OC)oc3C)c(C)oc2c1 CCC[*:1] COC(=O)c1cc(c(C)o1)-c1c(C)oc2cc(ccc2c1=O)O[*:1]
CCCOc1ccc2c(=O)c(-c3cc(C(=O)OC)oc3C)c(C)oc2c1 CCCO[*:1] COC(=O)c1cc(c(C)o1)-c1c(C)oc2cc(ccc2c1=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1 CC(=O)N[*:1] CN(CC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(cc1)C[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(CN2CCOCC2)cc1 COc1ccc(C)cc1[*:1] C[C@@H](NC(=O)c1ccc(cc1)CN1CCOCC1)[*:1]
CCc1ccccc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 CCc1ccccc1[*:1] Cc1cc(=O)oc2cc(ccc12)OCC(=O)N[*:1]
Cc1ccc(N2CCC(NC(=O)NCC[NH+](C)C3CC3)CC2)[nH+]c1 Cc1ccc([nH+]c1)[*:1] C[NH+](CCNC(=O)NC1CCN(CC1)[*:1])C1CC1
Cc1ccc(N2CCC(NC(=O)NCC[NH+](C)C3CC3)CC2)[nH+]c1 C1CC1[*:1] Cc1ccc([nH+]c1)N1CCC(CC1)NC(=O)NCC[NH+](C)[*:1]
COC(=O)c1ccc(-c2noc(-c3cnc(C)s3)n2)cc1 COC(=O)[*:1] Cc1ncc(s1)-c1nc(no1)-c1ccc(cc1)[*:1]
COC(=O)c1ccc(-c2noc(-c3cnc(C)s3)n2)cc1 Cc1ncc(s1)[*:1] COC(=O)c1ccc(cc1)-c1noc(n1)[*:1]
Cc1ccc([C@H]2CN(Cc3ccsc3)CCO2)o1 Cc1ccc(o1)[*:1] c1cc(cs1)CN1CCO[C@H](C1)[*:1]
Cc1ccc([C@H]2CN(Cc3ccsc3)CCO2)o1 c1cc(cs1)C[*:1] Cc1ccc(o1)[C@H]1CN(CCO1)[*:1]
Cc1ccc([C@H]2CN(Cc3ccsc3)CCO2)o1 c1cc(cs1)[*:1] Cc1ccc(o1)[C@H]1CN(CCO1)C[*:1]
O=S(=O)(c1cccs1)N1CCC[C@H]1CO c1csc(c1)[*:1] O=S(=O)(N1CCC[C@H]1CO)[*:1]
CCS[C@H]1CCCCN(C(=O)[C@H](C)Sc2ccccn2)C1 c1ccc(nc1)S[*:1] CCS[C@H]1CCCCN(C1)C(=O)[C@H](C)[*:1]
CCS[C@H]1CCCCN(C(=O)[C@H](C)Sc2ccccn2)C1 CCS[*:1] C[C@H](Sc1ccccn1)C(=O)N1CCCC[C@@H](C1)[*:1]
CCS[C@H]1CCCCN(C(=O)[C@H](C)Sc2ccccn2)C1 c1ccc(nc1)[*:1] CCS[C@H]1CCCCN(C1)C(=O)[C@H](C)S[*:1]
CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1 CCOc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])Nc1cc(Cl)cc(Cl)c1
CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1 Clc1cc(Cl)cc(c1)[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(CC(=O)N[*:1])n1
CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1 CCO[*:1] O=C(Cn1nc(ccc1=O)-c1ccc(cc1)[*:1])Nc1cc(Cl)cc(Cl)c1
CC(C)COCCNC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CC(C)C[*:1] O=C(NCCO[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
CC(C)COCCNC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CC(C)COCC[*:1] O=C(NC[C@@H]1C[C@]12CCc1ccccc12)N[*:1]
CC(C)COCCNC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CC(C)CO[*:1] O=C(NCC[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
CC(C)COCCNC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CC(C)COC[*:1] O=C(NC[C@@H]1C[C@]12CCc1ccccc12)NC[*:1]
CC(C)COCCNC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 CC(C)[*:1] O=C(NCCOC[*:1])NC[C@@H]1C[C@]12CCc1ccccc12
COCCN1C(=O)c2cc3c(OC)ccc(OC)c3n2C[C@]1(C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] COCCN1C(=O)c2cc3c(ccc(OC)c3n2C[C@]1(C)C(=O)N[*:1])OC
COCCN1C(=O)c2cc3c(OC)ccc(OC)c3n2C[C@]1(C)C(=O)NC1CCCC1 COCC[*:1] COc1ccc(OC)c2c1cc1C(=O)N([C@](C)(Cn12)C(=O)NC1CCCC1)[*:1]
COCCN1C(=O)c2cc3c(OC)ccc(OC)c3n2C[C@]1(C)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] COCCN1C(=O)c2cc3c(ccc(OC)c3n2C[C@@]1(C)[*:1])OC
COCCN1C(=O)c2cc3c(OC)ccc(OC)c3n2C[C@]1(C)C(=O)NC1CCCC1 COC[*:1] COc1ccc(OC)c2c1cc1C(=O)N(C[*:1])[C@](C)(Cn12)C(=O)NC1CCCC1
C[C@H]([NH2+][C@H](C)CCC1CCCC1)c1ccc([S@](C)=O)cc1 C1CCC(C1)C[*:1] C[C@H]([NH2+][C@H](C)C[*:1])c1ccc(cc1)[S@](C)=O
C[C@H]([NH2+][C@H](C)CCC1CCCC1)c1ccc([S@](C)=O)cc1 C1CCC(C1)[*:1] C[C@H]([NH2+][C@H](C)CC[*:1])c1ccc(cc1)[S@](C)=O
C[C@H]([NH2+][C@H](C)CCC1CCCC1)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@H]([NH2+][C@H](C)CCC1CCCC1)c1ccc(cc1)[*:1]
C[C@H]([NH2+][C@H](C)CCC1CCCC1)c1ccc([S@](C)=O)cc1 C1CCC(C1)CC[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1ccc(cc1)[S@](C)=O
CO[C@@H](C)c1cccc(NC(=O)N2CCC(=Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CO[C@@H](C)c1cccc(c1)NC(=O)N1CCC(=C[*:1])CC1
Cc1ncccc1NC(=O)Nc1ccc(C(=O)[O-])c(O)c1 Cc1ncccc1[*:1] O=C(Nc1ccc(C(=O)[O-])c(O)c1)N[*:1]
Cc1ncccc1NC(=O)Nc1ccc(C(=O)[O-])c(O)c1 O=C([O-])[*:1] Cc1ncccc1NC(=O)Nc1ccc(c(O)c1)[*:1]
C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 Fc1ccc(cc1F)[*:1] C[NH+](C)CCC1CCN(CC1)C(=O)NC[C@@H]1CCN(C1)[*:1]
N#Cc1ccncc1NC[C@H](O)c1ccncc1 c1cc(ccn1)[*:1] N#Cc1ccncc1NC[C@H](O)[*:1]
Cc1csc(N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)n1 Cc1csc(n1)[*:1] C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)[*:1]
CC(C)(C)c1cn2nc(N3CCC[C@@H]3Cn3cncn3)sc2n1 c1ncn(C[*:1])n1 CC(C)(C)c1cn2nc(sc2n1)N1CCC[C@H]1[*:1]
CC(C)(C)c1cn2nc(N3CCC[C@@H]3Cn3cncn3)sc2n1 c1ncn(n1)[*:1] CC(C)(C)c1cn2nc(sc2n1)N1CCC[C@@H]1C[*:1]
CC(C)(C)c1cn2nc(N3CCC[C@@H]3Cn3cncn3)sc2n1 CC(C)(C)[*:1] c1ncn(C[C@H]2CCCN2c2nn3cc(nc3s2)[*:1])n1
c1csc(Cn2ncc3[nH]c(-c4ccoc4)nc32)c1 c1csc(c1)C[*:1] c1cc(co1)-c1nc2c(cnn2[*:1])[nH]1
c1csc(Cn2ncc3[nH]c(-c4ccoc4)nc32)c1 c1cc(co1)[*:1] c1csc(c1)Cn1ncc2[nH]c(nc21)[*:1]
c1csc(Cn2ncc3[nH]c(-c4ccoc4)nc32)c1 c1csc(c1)[*:1] c1cc(co1)-c1nc2c(cnn2C[*:1])[nH]1
C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](C)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](C)N(C)[*:1]
CC(=O)Oc1ccc(/C=C2/N=C(c3cccc(Cl)c3Cl)OC2=O)cc1OC(C)=O Clc1cccc(c1Cl)[*:1] CC(=O)Oc1ccc(/C=C2/N=C(OC2=O)[*:1])cc1OC(C)=O
CC(=O)Oc1ccc(/C=C2/N=C(c3cccc(Cl)c3Cl)OC2=O)cc1OC(C)=O CC(=O)O[*:1] CC(=O)Oc1cc(/C=C2/N=C(OC2=O)c2cccc(Cl)c2Cl)ccc1[*:1]
CC(=O)Oc1ccc(/C=C2/N=C(c3cccc(Cl)c3Cl)OC2=O)cc1OC(C)=O CC(=O)O[*:1] CC(=O)Oc1ccc(/C=C2/N=C(OC2=O)c2cccc(Cl)c2Cl)cc1[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@@H]2CCCO2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C[C@@H]1CCCO1
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@@H]2CCCO2)c(OC)c1 O=C(c1ccccc1)[*:1] COc1ccc(c(c1)OC)[C@@H]1C(=C([O-])C(=O)N1C[C@@H]1CCCO1)[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@@H]2CCCO2)c(OC)c1 C1CO[C@@H](C1)[*:1] COc1ccc(c(c1)OC)[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1C[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2C[C@@H]2CCCO2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1[*:1])c1ccccc1
Cc1noc(C(C)C)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 CC(C)[*:1] Cc1noc(c1C(=O)N1CCC[C@@H](C1)[NH+]1CCCC1)[*:1]
Cc1nn(C)c(Sc2nc3ccccc3s2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(C)c(Sc2nc3ccccc3s2)c1[*:1]
Cc1noc(C)c1S(=O)(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)[*:1] Cc1noc(C)c1S(=O)(=O)NCc1cccc(c1)C[*:1]
Cc1noc(C)c1S(=O)(=O)NCc1cccc(Cn2ccnc2)c1 Cc1noc(C)c1[*:1] O=S(=O)(NCc1cccc(c1)Cn1ccnc1)[*:1]
Cc1noc(C)c1S(=O)(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)C[*:1] Cc1noc(C)c1S(=O)(=O)NCc1cccc(c1)[*:1]
C[C@@H](CC#N)N1CCN([C@H](C#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](CC#N)N1CCN(CC1)[C@H](C#N)[*:1]
C[C@@H](CC#N)N1CCN([C@H](C#N)c2ccccc2)CC1 N#CC[*:1] C[C@@H](N1CCN(CC1)[C@H](C#N)c1ccccc1)[*:1]
C[C@@H](CC#N)N1CCN([C@H](C#N)c2ccccc2)CC1 C[C@@H](CC#N)[*:1] N#C[C@H](c1ccccc1)N1CCN(CC1)[*:1]
CC(C)[NH2+]Cc1nccn1Cc1ccnc2ccccc12 CC(C)[*:1] c1ccc2c(ccnc2c1)Cn1ccnc1C[NH2+][*:1]
O=C(NCCCc1c[nH]c2ccccc12)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(NCCCc1c[nH]c2ccccc12)N1CCOC[C@@H]1[*:1]
CC(C)[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)N1CCOCC1 c1ccn(c1)[*:1] CC(C)[C@@H](CNC(=O)c1cnn(C)c1[*:1])N1CCOCC1
CC(C)[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)[*:1]
CC(C)[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)N1CCOCC1 CC(C)[*:1] Cn1ncc(C(=O)NC[C@@H](N2CCOCC2)[*:1])c1-n1cccc1
CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCN(CC1)[*:1])C(=O)[O-]
CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 O=C([O-])[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1NS(=O)(=O)c1ccc(C)cc1)[*:1]
CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1NS(=O)(=O)[*:1])C(=O)[O-]
CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)S(=O)(=O)N[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1[*:1])C(=O)[O-]
CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 CC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCN(CC1)c1ccc(cc1)[*:1])C(=O)[O-]
Cc1ccc(SCCNC(=O)[C@H](C)n2cccn2)cc1 c1cnn(c1)[*:1] Cc1ccc(cc1)SCCNC(=O)[C@H](C)[*:1]
Cc1noc(C)c1C(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1 c1ccc(cc1)[*:1] Cc1noc(C)c1C(=O)N1CC[C@@]2(CCCN(CCC[*:1])C2=O)C1
Cc1noc(C)c1C(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1 c1ccc(cc1)C[*:1] Cc1noc(C)c1C(=O)N1CC[C@@]2(CCCN(CC[*:1])C2=O)C1
Cc1noc(C)c1C(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1 c1ccc(cc1)CCC[*:1] Cc1noc(C)c1C(=O)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
Cc1noc(C)c1C(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1 Cc1noc(C)c1[*:1] O=C1N(CCCc2ccccc2)CCC[C@@]12CCN(C2)C(=O)[*:1]
Cc1noc(C)c1C(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1 c1ccc(cc1)CC[*:1] Cc1noc(C)c1C(=O)N1CC[C@@]2(CCCN(C[*:1])C2=O)C1
CNC(=O)C[C@H](C[NH3+])N1CCC(C[NH+](C)C)CC1 CNC(=O)[*:1] C[NH+](C)CC1CCN(CC1)[C@@H](C[NH3+])C[*:1]
CNC(=O)C[C@H](C[NH3+])N1CCC(C[NH+](C)C)CC1 CNC(=O)C[*:1] C[NH+](C)CC1CCN(CC1)[C@@H](C[NH3+])[*:1]
CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccccc2)c1C c1ccc(cc1)[*:1] CNC(=O)c1cccc(NC(=O)C(=O)NC[*:1])c1C
CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccccc2)c1C c1ccc(cc1)C[*:1] CNC(=O)c1cccc(NC(=O)C(=O)N[*:1])c1C
CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccccc2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)NCc1ccccc1
Cc1[nH]ncc1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F Cc1[nH]ncc1[*:1] O=C(N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)[*:1]
CCCC[C@H](O)c1ccc(Cl)c2ccccc12 CCC[*:1] O[C@@H](C[*:1])c1ccc(Cl)c2ccccc12
CCCC[C@H](O)c1ccc(Cl)c2ccccc12 CCCC[*:1] O[C@H](c1ccc(Cl)c2ccccc12)[*:1]
C[C@@H]1CN([C@@H]([C@@H](C)[NH3+])C(F)(F)F)C[C@@H]1C FC(F)(F)[*:1] C[C@@H]1CN(C[C@@H]1C)[C@@H]([C@@H](C)[NH3+])[*:1]
CC(C)c1ccc(NC(=O)C[C@H]2SC[C@@H](C(=O)[O-])NC2=O)cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)NC(=O)C[C@H]1SC[C@@H](NC1=O)[*:1]
CC(C)c1ccc(NC(=O)C[C@H]2SC[C@@H](C(=O)[O-])NC2=O)cc1 CC(C)[*:1] O=C(C[C@H]1SC[C@H](NC1=O)C(=O)[O-])Nc1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(C)c(OC)c2)cc1 CNS(=O)(=O)[*:1] COc1cc(ccc1C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CSc1ccc(CCNC(=O)CN(C)c2nn3c(=O)cc(C)nc3s2)cc1 CSc1ccc(cc1)C[*:1] Cc1cc(=O)n2nc(sc2n1)N(C)CC(=O)NC[*:1]
CSc1ccc(CCNC(=O)CN(C)c2nn3c(=O)cc(C)nc3s2)cc1 CSc1ccc(cc1)[*:1] Cc1cc(=O)n2nc(sc2n1)N(C)CC(=O)NCC[*:1]
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] CC(=O)Nc1ccc(cc1)S[C@@H](C)C(=O)N[*:1]
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] CC(=O)Nc1ccc(cc1)S[C@@H](C)C(=O)NC[*:1]
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccco2)cc1 CC(=O)N[*:1] C[C@H](Sc1ccc(cc1)[*:1])C(=O)NCc1ccco1
CC1(C)CC(=O)c2sc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)nc2C1 Fc1ccc(cc1)[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)c1cccc(c1)NS(=O)(=O)[*:1]
CC(C)n1cc[nH+]c(N2CC[NH+](C(C)C)CC2)c1=O CC(C)[*:1] CC(C)[NH+]1CCN(CC1)c1[nH+]ccn(c1=O)[*:1]
CC(C)n1cc[nH+]c(N2CC[NH+](C(C)C)CC2)c1=O CC(C)[*:1] CC(C)n1cc[nH+]c(c1=O)N1CC[NH+](CC1)[*:1]
C[C@H](NC(=O)CCN1CCSC1=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)CCN1CCSC1=O)[*:1]
C[C@H](NC(=O)CCN1CCSC1=O)[C@H]1CCCO1 O=C1SCCN1[*:1] C[C@H](NC(=O)CC[*:1])[C@H]1CCCO1
CCCn1c(S(=O)(=O)Cc2csc(-c3ccc(Cl)cc3)n2)n[nH]c1=O CCC[*:1] O=c1[nH]nc(n1[*:1])S(=O)(=O)Cc1csc(n1)-c1ccc(Cl)cc1
CCCn1c(S(=O)(=O)Cc2csc(-c3ccc(Cl)cc3)n2)n[nH]c1=O Clc1ccc(cc1)[*:1] CCCn1c(n[nH]c1=O)S(=O)(=O)Cc1csc(n1)[*:1]
CCN(CC(C)(C)O)C(=O)c1ccoc1C CC(C)(O)[*:1] CCN(C[*:1])C(=O)c1ccoc1C
CCN(CC(C)(C)O)C(=O)c1ccoc1C CC(C)(O)C[*:1] CCN(C(=O)c1ccoc1C)[*:1]
Cc1ccc(F)cc1NC(=O)COc1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1ccc(F)cc1NC(=O)COc1ccc(cc1)[*:1]
O=C1Nc2c(Cl)cccc2/C1=N/c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] O=C1Nc2c(Cl)cccc2/C1=N/c1ccc(cc1)[*:1]
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1)C(C)C CC(C)[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C)[*:1]
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1)C(C)C CC(=O)N(C[*:1])C(C)C C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1)C(C)C CC(=O)N(C(C)C)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)C(=O)Nc1ccc(cc1)C[*:1]
Cc1sc(=O)n(CCC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1C Cc1sc(=O)n(c1C)[*:1] O=C(CC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
Cc1ncc2c(c1CNS(=O)(=O)Cc1ccccc1)CCN(C(=O)[C@H](C)c1ccccc1)C2 c1ccc(cc1)C[*:1] Cc1ncc2CN(CCc2c1CNS(=O)(=O)[*:1])C(=O)[C@H](C)c1ccccc1
Cc1ncc2c(c1CNS(=O)(=O)Cc1ccccc1)CCN(C(=O)[C@H](C)c1ccccc1)C2 c1ccc(cc1)[*:1] Cc1ncc2CN(CCc2c1CNS(=O)(=O)Cc1ccccc1)C(=O)[C@H](C)[*:1]
Cc1ncc2c(c1CNS(=O)(=O)Cc1ccccc1)CCN(C(=O)[C@H](C)c1ccccc1)C2 c1ccc(cc1)[*:1] Cc1ncc2CN(CCc2c1CNS(=O)(=O)C[*:1])C(=O)[C@H](C)c1ccccc1
Cc1ncc2c(c1CNS(=O)(=O)Cc1ccccc1)CCN(C(=O)[C@H](C)c1ccccc1)C2 O=S(=O)(Cc1ccccc1)N[*:1] Cc1ncc2CN(CCc2c1C[*:1])C(=O)[C@H](C)c1ccccc1
Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)NCc2ccco2)n1 c1coc(c1)[*:1] Cc1cc(C)c(C#N)c(n1)S[C@H](C)C(=O)NC[*:1]
Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)NCc2ccco2)n1 c1coc(c1)C[*:1] Cc1cc(C)c(C#N)c(n1)S[C@H](C)C(=O)N[*:1]
O=C1c2ccccc2[C@H](O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2[C@H](O)N1C[*:1]
C#CCN(CC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CCc2ccccc21 FC(F)(F)[*:1] C#CCN(CC(=O)NC(=O)NC[*:1])[C@@H]1CCc2ccccc21
C#CCN(CC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CCc2ccccc21 FC(F)(F)C[*:1] C#CCN(CC(=O)NC(=O)N[*:1])[C@@H]1CCc2ccccc21
C#CCN(CC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CCc2ccccc21 C#CC[*:1] O=C(CN([C@@H]1CCc2ccccc21)[*:1])NC(=O)NCC(F)(F)F
CCc1oc2ccccc2c1CN(C)C(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] CCc1oc2ccccc2c1CN(C)C(=O)NCC[*:1]
CCc1oc2ccccc2c1CN(C)C(=O)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] CCc1oc2ccccc2c1CN(C)C(=O)N[*:1]
CCc1oc2ccccc2c1CN(C)C(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] CCc1oc2ccccc2c1CN(C)C(=O)NC[*:1]
CCN(Cc1ccccn1)C(=O)CCC(=O)c1ccccc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)CCC(=O)c1ccccc1
CCN(Cc1ccccn1)C(=O)CCC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1ccccn1)C(=O)CCC(=O)[*:1]
CCN(Cc1ccccn1)C(=O)CCC(=O)c1ccccc1 c1ccc(C[*:1])nc1 CCN(C(=O)CCC(=O)c1ccccc1)[*:1]
Cc1cccc(Cl)c1NC(=O)c1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] Cc1cccc(Cl)c1NC(=O)c1ccc(c(F)c1)[*:1]
Cc1ccc(N(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C(=O)c2ccco2)c(C)c1 c1coc(c1)[*:1] Cc1ccc(c(C)c1)N(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)[*:1]
Cc1ccc(N(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C(=O)c2ccco2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN(C(=O)c1ccco1)[*:1]
COCCNC(=S)N[C@@H]1CCCc2ccccc21 COC[*:1] S=C(NC[*:1])N[C@@H]1CCCc2ccccc21
COCCNC(=S)N[C@@H]1CCCc2ccccc21 COCC[*:1] S=C(N[C@@H]1CCCc2ccccc21)N[*:1]
COc1cc(C(=O)Nc2ccnn2Cc2ccccc2Br)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)Nc1ccnn1Cc1ccccc1Br
COc1cc(C(=O)Nc2ccnn2Cc2ccccc2Br)ccc1OC(F)F Brc1ccccc1C[*:1] COc1cc(ccc1OC(F)F)C(=O)Nc1ccnn1[*:1]
COc1cc(C(=O)Nc2ccnn2Cc2ccccc2Br)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1ccnn1Cc1ccccc1Br
COc1cc(C(=O)Nc2ccnn2Cc2ccccc2Br)ccc1OC(F)F Brc1ccccc1[*:1] COc1cc(ccc1OC(F)F)C(=O)Nc1ccnn1C[*:1]
CC[C@H](O)CN1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 CN(C)[*:1] CC[C@H](O)CN1CCN(CC1)C(=O)c1ccnc(c1)[*:1]
CC[C@H](O)CN1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 CC[C@H](O)[*:1] CN(C)c1cc(ccn1)C(=O)N1CCN(CC1)C[*:1]
CC[C@H](O)CN1CCN(C(=O)c2ccnc(N(C)C)c2)CC1 CC[C@H](O)C[*:1] CN(C)c1cc(ccn1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc([C@](C)(O)CNC(=O)[C@H](C)Sc2nnnn2C2CC2)o1 C1CC1n1nnnc1[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)[C@H](C)S[*:1]
Cc1ccc([C@](C)(O)CNC(=O)[C@H](C)Sc2nnnn2C2CC2)o1 Cc1ccc(o1)[*:1] C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@](C)(O)[*:1]
Cc1ccc([C@](C)(O)CNC(=O)[C@H](C)Sc2nnnn2C2CC2)o1 C1CC1[*:1] Cc1ccc(o1)[C@](C)(O)CNC(=O)[C@H](C)Sc1nnnn1[*:1]
COc1cc(OC)cc(N2CC[C@H](CNC(=O)NC3CCCCC3)C2)c1 C1CCC(CC1)[*:1] COc1cc(cc(c1)N1CC[C@H](CNC(=O)N[*:1])C1)OC
CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(N)=O)cc1 NC(=O)[*:1] CC(C)(C)c1ccc(cc1)OCC(=O)Nc1ccccc1[*:1]
CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(N)=O)cc1 CC(C)(C)[*:1] NC(=O)c1ccccc1NC(=O)COc1ccc(cc1)[*:1]
O=C([O-])CNc1ncc2c(n1)-c1ccccc1OC2 O=C([O-])C[*:1] c1ccc2c(c1)OCc1cnc(nc1-2)N[*:1]
O=C([O-])CNc1ncc2c(n1)-c1ccccc1OC2 O=C([O-])CN[*:1] c1ccc2c(c1)OCc1cnc(nc1-2)[*:1]
O=C([O-])CNc1ncc2c(n1)-c1ccccc1OC2 O=C([O-])[*:1] c1ccc2c(c1)OCc1cnc(nc1-2)NC[*:1]
CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] CCOc1ccc(cc1)[C@@H]1Nn2c(nnc2-c2ccccc2)S[C@H]1[*:1]
CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCOCC2)cc1 CCO[*:1] O=C([C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(cc1)[*:1])N1CCOCC1
CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCOCC2)cc1 CCOc1ccc(cc1)[*:1] O=C([C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1[*:1])N1CCOCC1
CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCOCC2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H]1Nn2c(nnc2[*:1])S[C@@H]1C(=O)N1CCOCC1
CS(=O)(=O)c1cccc(OCC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1 Fc1ccc2c(c[nH]c2c1)[*:1] CS(=O)(=O)c1cccc(c1)OCC(=O)N1CC=C(CC1)[*:1]
CS(=O)(=O)c1cccc(OCC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1 CS(=O)(=O)c1cccc(c1)[*:1] O=C(CO[*:1])N1CC=C(CC1)c1c[nH]c2cc(F)ccc12
CS(=O)(=O)c1cccc(OCC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1 CS(=O)(=O)[*:1] O=C(COc1cccc(c1)[*:1])N1CC=C(CC1)c1c[nH]c2cc(F)ccc12
NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)cc1 O=C(c1ccccc1)[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC[C@@H](C1)[*:1]
NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)cc1 NS(=O)(=O)[*:1] O=C(c1ccccc1)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)[*:1]
C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@@H]2c2ccncc2)o1 C[C@@H]1C[C@@H]1[*:1] O=C(CCc1ccc(o1)[*:1])N1CCC[C@@H]1c1ccncc1
C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@@H]2c2ccncc2)o1 c1cc(ccn1)[*:1] C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H]2[*:1])o1
CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[C@@H]1S(C)(=O)=O FC(F)O[*:1] CN(Cc1cc(ccc1[*:1])[N+](=O)[O-])[C@@H]1CCC[C@@H]1S(C)(=O)=O
CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[C@@H]1S(C)(=O)=O O=[N+]([O-])[*:1] CN(Cc1cc(ccc1OC(F)F)[*:1])[C@@H]1CCC[C@@H]1S(C)(=O)=O
CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[C@@H]1S(C)(=O)=O FC(F)[*:1] CN(Cc1cc(ccc1O[*:1])[N+](=O)[O-])[C@@H]1CCC[C@@H]1S(C)(=O)=O
CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(Cc1cc(ccc1OC(F)F)[N+](=O)[O-])[C@@H]1CCC[C@H]1[*:1]
CS(=O)(=O)CC1(CC(=O)OCc2ccccc2F)CC1 CS(=O)(=O)[*:1] O=C(CC1(CC1)C[*:1])OCc1ccccc1F
CS(=O)(=O)CC1(CC(=O)OCc2ccccc2F)CC1 CS(=O)(=O)C[*:1] O=C(CC1(CC1)[*:1])OCc1ccccc1F
NC(=O)c1ccc(/C=C/C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(/C=C/C(=O)NC[C@@H]2C[C@H]2[*:1])cc1
NC(=O)c1ccc(/C=C/C(=O)NC[C@@H]2C[C@@H]2c2ccccc2)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NC[C@@H]1C[C@@H]1c1ccccc1
O=C([O-])c1cn(Cc2cccc(O)c2)c2ccccc12 O=C([O-])[*:1] Oc1cccc(c1)Cn1cc(c2ccccc21)[*:1]
O=C(NC[C@H](O)c1c(F)cccc1F)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)Nc1ccc(cc1)[*:1]
O=C(NC[C@H](O)c1c(F)cccc1F)Nc1ccc([N+](=O)[O-])cc1 Fc1cccc(F)c1[*:1] O=C(NC[C@H](O)[*:1])Nc1ccc(cc1)[N+](=O)[O-]
Cc1cccc(Cl)c1NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 Cc1cccc(Cl)c1[*:1] O=C(N[*:1])[C@H]1CC(=NO1)c1c(F)cccc1F
Cc1cccc(Cl)c1NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 Fc1cccc(F)c1[*:1] Cc1cccc(Cl)c1NC(=O)[C@H]1CC(=NO1)[*:1]
Cc1nc2sccn2c1CN1CCC[C@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C1 c1cncc(c1)[*:1] Cc1nc2sccn2c1CN1CCC[C@@H](C1)c1cc(=O)[nH]c(n1)[*:1]
Cc1nc2sccn2c1CN1CCC[C@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C1 Cc1nc2sccn2c1[*:1] O=c1cc(nc([nH]1)-c1cccnc1)[C@H]1CCCN(C1)C[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 Clc1ccc(O[*:1])c(Cl)c1 C[C@H](C(=O)Nc1nc2ccc(cc2s1)N1CCOCC1)[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 C1CN(CCO1)[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(cc2s1)[*:1]
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 Clc1ccc(c(Cl)c1)[*:1] C[C@H](O[*:1])C(=O)Nc1nc2ccc(cc2s1)N1CCOCC1
C/C(=N/OCC(=O)[O-])c1ccc(C)cc1 O=C([O-])[*:1] C/C(=N/OC[*:1])c1ccc(C)cc1
C/C(=N/OCC(=O)[O-])c1ccc(C)cc1 O=C([O-])C[*:1] C/C(=N/O[*:1])c1ccc(C)cc1
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1cscn1 c1nc(cs1)C[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NC[*:1]
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1cscn1 c1nc(cs1)[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCC[*:1]
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCc1cscn1 c1nc(cs1)CC[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[*:1]
Cc1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1C CS(=O)(=O)[*:1] Cc1ccc(cc1C)-c1csc(n1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1C Cc1ccc(cc1C)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
Cc1cc(C(=O)CCC(=O)N2CCN(Cc3ccccc3C)CC2)c(C)s1 Cc1ccccc1C[*:1] Cc1cc(C(=O)CCC(=O)N2CCN(CC2)[*:1])c(C)s1
Cc1cc(C(=O)CCC(=O)N2CCN(Cc3ccccc3C)CC2)c(C)s1 Cc1ccccc1[*:1] Cc1cc(C(=O)CCC(=O)N2CCN(CC2)C[*:1])c(C)s1
Cc1cc(C(=O)CCC(=O)N2CCN(Cc3ccccc3C)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1ccccc1CN1CCN(CC1)C(=O)CCC(=O)[*:1]
Cc1cc(C(=O)CCC(=O)N2CCN(Cc3ccccc3C)CC2)c(C)s1 Cc1cc(C(=O)[*:1])c(C)s1 Cc1ccccc1CN1CCN(CC1)C(=O)CC[*:1]
CC(C)[C@](C)(O)CNC(=O)Cn1c(=O)n(C)c2ccccc21 CC(C)[*:1] Cn1c(=O)n(CC(=O)NC[C@](C)(O)[*:1])c2ccccc21
Cc1ccccc1CN(C)C(=O)COc1ccc2nccnc2c1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)COc1ccc2nccnc2c1
Cc1ccccc1CN(C)C(=O)COc1ccc2nccnc2c1 Cc1ccccc1C[*:1] CN(C(=O)COc1ccc2nccnc2c1)[*:1]
Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1c2ccccc2C[C@H]1O ClCC[*:1] Cc1nn(c(C)c1C(=O)N[C@H]1c2ccccc2C[C@H]1O)[*:1]
Cc1sc(C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] C1CCC(CC1)[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)N(C)[*:1]
Cc1sc(C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1sc(cc1[*:1])C(=O)N(C)C1CCCCC1
Cc1ccc(-c2cc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)no2)cc1 Cc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc1cc(on1)[*:1]
Cc1ccc(-c2cc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)no2)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1)-c1cc(CNC(=O)c2ccc(cc2)[*:1])no1
O=C(NC1CCCCCC1)c1cccc(-c2cnn(-c3nccc4nc(C(F)(F)F)ccc34)c2)n1 FC(F)(F)[*:1] O=C(NC1CCCCCC1)c1cccc(n1)-c1cnn(c1)-c1nccc2nc(ccc12)[*:1]
O=C(NC1CCCCCC1)c1cccc(-c2cnn(-c3nccc4nc(C(F)(F)F)ccc34)c2)n1 C1CCCC(CC1)[*:1] O=C(N[*:1])c1cccc(n1)-c1cnn(c1)-c1nccc2nc(ccc12)C(F)(F)F
O=C(NC1CCCCCC1)c1cccc(-c2cnn(-c3nccc4nc(C(F)(F)F)ccc34)c2)n1 O=C(NC1CCCCCC1)[*:1] FC(F)(F)c1ccc2c(nccc2n1)-n1cc(cn1)-c1cccc(n1)[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)CC(C)(C)C)C1 CC(C)[*:1] CN(CC(C)(C)C)C(=O)[C@H]1CCCN(C1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)CC(C)(C)C)C1 CC(C)C[*:1] CN(CC(C)(C)C)C(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)CC(C)(C)C)C1 CC(C)(C)C[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N(C)[*:1]
CC(C)CNC(=O)N1CCC[C@H](C(=O)N(C)CC(C)(C)C)C1 CC(C)(C)[*:1] CC(C)CNC(=O)N1CCC[C@@H](C1)C(=O)N(C)C[*:1]
CCCCC[C@@H]1SC(=N)C(C(=O)N2CCOCC2)=C1C CCC[*:1] CC1=C(C(=N)S[C@H]1CC[*:1])C(=O)N1CCOCC1
CCCCC[C@@H]1SC(=N)C(C(=O)N2CCOCC2)=C1C CCCC[*:1] CC1=C(C(=N)S[C@H]1C[*:1])C(=O)N1CCOCC1
CCCCC[C@@H]1SC(=N)C(C(=O)N2CCOCC2)=C1C CCCCC[*:1] CC1=C(C(=N)S[C@H]1[*:1])C(=O)N1CCOCC1
CC(C)(C)Oc1cc(C(=O)N[C@@H]2CCC[C@]2(C)CO)ccn1 CC(C)(C)[*:1] C[C@]1(CO)CCC[C@H]1NC(=O)c1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(C(=O)N[C@@H]2CCC[C@]2(C)CO)ccn1 CC(C)(C)O[*:1] C[C@]1(CO)CCC[C@H]1NC(=O)c1ccnc(c1)[*:1]
Cc1cnc(CCNC(=O)N[C@H]2CCCc3ccc(F)cc32)s1 Cc1cnc(s1)[*:1] O=C(NCC[*:1])N[C@H]1CCCc2ccc(F)cc21
Cc1cnc(CCNC(=O)N[C@H]2CCCc3ccc(F)cc32)s1 Cc1cnc(C[*:1])s1 O=C(NC[*:1])N[C@H]1CCCc2ccc(F)cc21
N#Cc1cccc(OCCSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 c1coc(c1)C[*:1] N#Cc1cccc(c1)OCCSc1nc2ccccc2c(=O)n1[*:1]
N#Cc1cccc(OCCSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 N#Cc1cccc(c1)[*:1] O=c1c2ccccc2nc(SCCO[*:1])n1Cc1ccco1
N#Cc1cccc(OCCSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 N#Cc1cccc(c1)O[*:1] O=c1c2ccccc2nc(SCC[*:1])n1Cc1ccco1
N#Cc1cccc(OCCSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 c1coc(c1)[*:1] N#Cc1cccc(c1)OCCSc1nc2ccccc2c(=O)n1C[*:1]
Cc1ccc(N[C@@H](C)[C@@H](C)O)c(Cl)c1 C[C@@H](O)[*:1] Cc1ccc(N[C@@H](C)[*:1])c(Cl)c1
O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O c1ccc(cc1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc2C(=O)N(Cc3cccnc3)C(=O)c2c1
O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O c1cncc(c1)[*:1] O=C(Nc1ccccc1-c1ccccc1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O c1cncc(c1)C[*:1] O=C(Nc1ccccc1-c1ccccc1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1c(C)nn(C)c1C Clc1ccc(cc1Cl)[*:1] CC[C@H](NC(=O)CO[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)[*:1]
Cc1ccc(C(=O)N[C@H](C(=O)/N=C2/NCCS2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)/N=C1/NCCS1
Cc1ccc(C(=O)N[C@H](C(=O)/N=C2/NCCS2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N[C@H](C(=O)/N=C1/NCCS1)[*:1]
C[C@H]1CCN(C(=O)CCc2nc(-c3ccccn3)no2)[C@H]2CCCC[C@H]12 c1ccc(nc1)[*:1] C[C@H]1CCN(C(=O)CCc2nc(no2)[*:1])[C@H]2CCCC[C@H]12
Cc1noc(C)c1S(=O)(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 Cc1noc(C)c1[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NNS(=O)(=O)[*:1]
COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1cccnc1 c1cncc(c1)[*:1] COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1[*:1]
COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1cccnc1 Clc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1cccnc1
COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1cccnc1 COc1ccccc1[*:1] O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1[*:1])c1ccc(Cl)cc1
COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1cccnc1 O=C(c1ccc(Cl)cc1)[*:1] COc1ccccc1[C@@H]1C(=C([O-])C(=O)N1c1cccnc1)[*:1]
COc1ccc([C@@H](CNC(=O)c2ccc(C)cc2C)[NH+](C)C)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+](C)C
COc1ccc([C@@H](CNC(=O)c2ccc(C)cc2C)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C(=O)NC[C@@H]([NH+](C)C)[*:1])c(C)c1
CC[C@@H](Nc1nc2cc(C)ccn2n1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](Nc1nc2cc(C)ccn2n1)[*:1]
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 CC[C@@H](C)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)C(F)F)C(=O)N[*:1]
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 FC(F)[*:1] CC[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)S(=O)(=O)[*:1]
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] CC[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 c1ccc2[nH]c(nc2c1)[*:1] Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(C1)C[*:1]
Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 c1cnn(c1)C[*:1] Cn1c(nnc1[*:1])[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1
Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 c1cnn(c1)[*:1] Cn1c(C[*:1])nnc1[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1
CC[C@@H](C)C[C@H](C)NC(=O)c1sccc1C1CC1 CC[C@@H](C)C[*:1] C[C@H](NC(=O)c1sccc1C1CC1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1sccc1C1CC1 C1CC1[*:1] CC[C@@H](C)C[C@H](C)NC(=O)c1sccc1[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1sccc1C1CC1 CC[C@@H](C)[*:1] C[C@@H](C[*:1])NC(=O)c1sccc1C1CC1
COC(=O)CCC(=O)N1c2ccc(C)cc2[C@H]2C[N+](C)(C)CC[C@H]21 COC(=O)CC[*:1] Cc1ccc2c(c1)[C@H]1C[N+](C)(C)CC[C@H]1N2C(=O)[*:1]
COC(=O)CCC(=O)N1c2ccc(C)cc2[C@H]2C[N+](C)(C)CC[C@H]21 COC(=O)C[*:1] Cc1ccc2c(c1)[C@H]1C[N+](C)(C)CC[C@H]1N2C(=O)C[*:1]
COC(=O)CCC(=O)N1c2ccc(C)cc2[C@H]2C[N+](C)(C)CC[C@H]21 COC(=O)[*:1] Cc1ccc2c(c1)[C@H]1C[N+](C)(C)CC[C@H]1N2C(=O)CC[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)s1 O=C(N1CCOCC1)[*:1] Cc1ccc(s1)S(=O)(=O)[N-]c1ccccc1[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)s1 Cc1ccc(s1)[*:1] O=C(c1ccccc1[N-]S(=O)(=O)[*:1])N1CCOCC1
O=C(NC1CCC(O)CC1)c1cccn(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] O=C(NC1CCC(O)CC1)c1cccn(c1=O)[*:1]
O=C(NC1CCC(O)CC1)c1cccn(Cc2ccccc2)c1=O OC1CCC(CC1)[*:1] O=C(N[*:1])c1cccn(Cc2ccccc2)c1=O
O=C(NC1CCC(O)CC1)c1cccn(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(NC1CCC(O)CC1)c1cccn(C[*:1])c1=O
Cc1cccc(OCC(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])Nc1cc(C(=O)[O-])c(Cl)cc1Cl
Cc1cccc(OCC(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)c1 O=C([O-])[*:1] Cc1cccc(c1)OCC(=O)Nc1cc(c(Cl)cc1Cl)[*:1]
CCC[C@@H]([NH2+]CC)c1ccn(Cc2csc(C)n2)c1 Cc1nc(cs1)[*:1] CCC[C@@H]([NH2+]CC)c1ccn(c1)C[*:1]
CCC[C@@H]([NH2+]CC)c1ccn(Cc2csc(C)n2)c1 CCC[*:1] CC[NH2+][C@@H](c1ccn(c1)Cc1csc(C)n1)[*:1]
CNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(C)n[nH]c3c2)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)Nc1ccc2c(C)n[nH]c2c1)[*:1]
Cc1cccc([C@@H](CO)CC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1cccc(c1)[C@@H](CO)CC[*:1]
CCS(=O)(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(F)cc1)C(=O)CO2 Fc1ccc(cc1)[*:1] CCS(=O)(=O)c1ccc2OCC(=O)N(CC(=O)NC[*:1])c2c1
CCS(=O)(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(F)cc1)C(=O)CO2 Fc1ccc(cc1)C[*:1] CCS(=O)(=O)c1ccc2OCC(=O)N(CC(=O)N[*:1])c2c1
CCS(=O)(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(F)cc1)C(=O)CO2 CCS(=O)(=O)[*:1] O=C(CN1C(=O)COc2ccc(cc21)[*:1])NCc1ccc(F)cc1
CC(C)COc1cccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1 CC(C)CO[*:1] C[C@H]1CCC[C@H](C1)[NH2+]Cc1cccc(c1)[*:1]
CC(C)COc1cccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1 CC(C)C[*:1] C[C@H]1CCC[C@H](C1)[NH2+]Cc1cccc(c1)O[*:1]
CC(C)COc1cccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1 CC(C)[*:1] C[C@H]1CCC[C@H](C1)[NH2+]Cc1cccc(c1)OC[*:1]
CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Cl)o3)c[nH+]2)CC1 Clc1ccc(o1)[*:1] CC[NH+]1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)[*:1]
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCN2CCOCC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CCN1CCOCC1
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCN2CCOCC2)c1 C1CN(CCO1)C[*:1] COc1cccc(c1)[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1C[*:1]
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCN2CCOCC2)c1 O=C(c1ccccc1)[*:1] COc1cccc(c1)[C@H]1C(=C([O-])C(=O)N1CCN1CCOCC1)[*:1]
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCN2CCOCC2)c1 COc1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(CCN2CCOCC2)[C@H]1[*:1])c1ccccc1
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCN2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1CC[*:1]
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCN2CCOCC2)c1 C1CN(CCO1)CC[*:1] COc1cccc(c1)[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1[*:1]
C[C@@H]1CCC2=C3C(=O)N=C(SCC(=O)N4CCOCC4)N=C3S[C@H]2C1 O=C(N1CCOCC1)[*:1] C[C@@H]1CCC2=C3C(=O)N=C(N=C3S[C@H]2C1)SC[*:1]
CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)CCc2cccs2)C1 c1csc(c1)CC[*:1] CSc1ccccc1C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)CCc2cccs2)C1 c1csc(c1)[*:1] CSc1ccccc1C(=O)[C@H]1CCCN(C1)C(=O)CC[*:1]
CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)CCc2cccs2)C1 CSc1ccccc1[*:1] O=C(CCc1cccs1)N1CCC[C@@H](C1)C(=O)[*:1]
CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)CCc2cccs2)C1 c1csc(c1)C[*:1] CSc1ccccc1C(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@H]1c1cccc(OC)c1OC COc1cccc(c1OC)[*:1] COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@@H]1[*:1]
COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@H]1c1cccc(OC)c1OC COc1ccccc1NC(=O)[*:1] COc1cccc(c1OC)[C@H]1C(=C(C)N=C2CCCC(=O)[C@H]21)[*:1]
COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@H]1c1cccc(OC)c1OC COc1ccccc1[*:1] COc1cccc(c1OC)[C@H]1C(C(=O)N[*:1])=C(C)N=C2CCCC(=O)[C@H]21
Cc1[nH]nc2c1[C@@H](c1cnn(C)c1)c1c(ncn3nc(-c4c[nH]c5ccccc45)nc13)O2 c1ccc2c(c[nH]c2c1)[*:1] Cc1[nH]nc2Oc3ncn4nc(nc4c3[C@H](c3cnn(C)c3)c21)[*:1]
Cc1[nH]nc2c1[C@@H](c1cnn(C)c1)c1c(ncn3nc(-c4c[nH]c5ccccc45)nc13)O2 Cn1cc(cn1)[*:1] Cc1[nH]nc2Oc3ncn4nc(nc4c3[C@H](c21)[*:1])-c1c[nH]c2ccccc12
CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2CC)cc1 CCO[*:1] CCn1c(nc2ccccc21)[C@@H](C)[NH2+][C@@H](C)c1ccc(cc1)[*:1]
Cc1cnc(CNC(=O)NCC2(c3c(F)cccc3F)CCCC2)s1 Fc1cccc(F)c1[*:1] Cc1cnc(CNC(=O)NCC2(CCCC2)[*:1])s1
Cc1cnc(CNC(=O)NCC2(c3c(F)cccc3F)CCCC2)s1 Cc1cnc(C[*:1])s1 O=C(NCC1(CCCC1)c1c(F)cccc1F)N[*:1]
Cc1cnc(CNC(=O)NCC2(c3c(F)cccc3F)CCCC2)s1 Cc1cnc(s1)[*:1] O=C(NCC1(CCCC1)c1c(F)cccc1F)NC[*:1]
CNC(=O)N(O)[C@H]1N(/N=C/c2ccccc2OC)C(=S)SC1(C)C COc1ccccc1[*:1] CNC(=O)N(O)[C@H]1N(N=C[*:1])C(=S)SC1(C)C
CNC(=O)N(O)[C@H]1N(/N=C/c2ccccc2OC)C(=S)SC1(C)C CNC(=O)N(O)[*:1] COc1ccccc1/C=N/N1C(=S)SC(C)(C)[C@H]1[*:1]
O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1n[nH]c([O-])n1 [O-]c1nc(n[nH]1)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
CC(=O)Nc1nnc(SCc2c(C)cc(C)c(C(C)=O)c2C)s1 CC(=O)N[*:1] CC(=O)c1c(C)cc(C)c(CSc2nnc(s2)[*:1])c1C
CC(=O)Nc1nnc(SCc2c(C)cc(C)c(C(C)=O)c2C)s1 CC(=O)[*:1] CC(=O)Nc1nnc(SCc2c(C)cc(C)c(c2C)[*:1])s1
Cn1cc(CN2CCO[C@@H](C(N)=S)C2)cn1 NC(=S)[*:1] Cn1cc(cn1)CN1CCO[C@@H](C1)[*:1]
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnn(-c2ccncc2)c1C C=CC[*:1] COc1ccc(cc1)CN(C(=O)c1cnn(-c2ccncc2)c1C)[*:1]
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnn(-c2ccncc2)c1C c1cc(ccn1)[*:1] C=CCN(Cc1ccc(cc1)OC)C(=O)c1cnn(c1C)[*:1]
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnn(-c2ccncc2)c1C COc1ccc(cc1)[*:1] C=CCN(C[*:1])C(=O)c1cnn(-c2ccncc2)c1C
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnn(-c2ccncc2)c1C COc1ccc(cc1)C[*:1] C=CCN(C(=O)c1cnn(-c2ccncc2)c1C)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 CC(=O)Nc1ccc(cc1)[*:1] CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)S(=O)(=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 CC(=O)N[*:1] CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 c1ncn(n1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1[*:1]
CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cccn2)CC1 c1ccc(cc1)[*:1] CCOC(=O)c1nn(cc1C[NH+]1CCC(CC1)n1cccn1)[*:1]
CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cccn2)CC1 c1cnn(c1)[*:1] CCOC(=O)c1nn(cc1C[NH+]1CCC(CC1)[*:1])-c1ccccc1
CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(n2cccn2)CC1 CCOC(=O)[*:1] c1ccc(cc1)-n1cc(C[NH+]2CCC(CC2)n2cccn2)c(n1)[*:1]
CN(C(=O)Cc1ccc[nH]1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C c1c[nH]c(c1)C[*:1] CN(C(=O)[*:1])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
CN(C(=O)Cc1ccc[nH]1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C c1c[nH]c(c1)[*:1] CN(C(=O)C[*:1])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
Cc1cccc(C(C)C)c1NC(=O)N1CC[NH+](C)CC1 CC(C)[*:1] Cc1cccc(c1NC(=O)N1CC[NH+](C)CC1)[*:1]
COC[C@H](C)CC(=O)N(C)[C@@H]1CCC[C@@H]1C[NH3+] COC[C@H](C)[*:1] CN(C(=O)C[*:1])[C@@H]1CCC[C@@H]1C[NH3+]
COC[C@H](C)CC(=O)N(C)[C@@H]1CCC[C@@H]1C[NH3+] COC[*:1] C[C@H](CC(=O)N(C)[C@@H]1CCC[C@@H]1C[NH3+])[*:1]
CCOC(=O)N1CCN(C(=O)c2cccc(OCc3nnnn3C(C)C)c2)CC1 CC(C)n1nnnc1[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cccc(c1)OC[*:1]
CCOC(=O)N1CCN(C(=O)c2cccc(OCc3nnnn3C(C)C)c2)CC1 CC(C)n1nnnc1C[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cccc(c1)O[*:1]
CCOC(=O)N1CCN(C(=O)c2cccc(OCc3nnnn3C(C)C)c2)CC1 CC(C)[*:1] CCOC(=O)N1CCN(CC1)C(=O)c1cccc(c1)OCc1nnnn1[*:1]
CC[C@@H](C)NC(=O)c1nc(S(=O)(=O)CC)ncc1Cl CC[C@@H](C)[*:1] CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1nc(S(=O)(=O)CC)ncc1Cl CCS(=O)(=O)[*:1] CC[C@@H](C)NC(=O)c1nc(ncc1Cl)[*:1]
CC(C)[C@@H](Nc1nc(-c2ccccn2)nc2c1CCC2)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](Nc1nc(nc2CCCc21)[*:1])c1ccccn1
CC(C)[C@@H](Nc1nc(-c2ccccn2)nc2c1CCC2)c1ccccn1 CC(C)[*:1] c1ccc(nc1)-c1nc2CCCc2c(n1)N[C@@H](c1ccccn1)[*:1]
CC(C)[C@@H](Nc1nc(-c2ccccn2)nc2c1CCC2)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](Nc1nc(nc2CCCc21)-c1ccccn1)[*:1]
Cc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)cc1 Clc1ccc(cc1)O[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)C[*:1]
Cc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)CO[*:1]
Cc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)Nc1nc(cs1)[*:1]
CCC[NH+](CCC)C1Cc2cc(OC)c(OC)cc2C1 CCC[*:1] CCC[NH+](C1Cc2cc(OC)c(cc2C1)OC)[*:1]
CC(C)[NH2+]C[C@](C)(O)[C@@H]1CCO[C@]2(CCOC2)C1 CC(C)[*:1] C[C@](O)(C[NH2+][*:1])[C@@H]1CCO[C@]2(CCOC2)C1
O=C(/C=C/c1ccccc1)Nc1nc2ccc(F)cn2n1 c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1nc2ccc(F)cn2n1
O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCC[C@@H]1[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CCSc1cnn(C)c1 O=C([O-])[*:1] CC[NH2+][C@]1(CCC[C@H]1CCSc1cnn(C)c1)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CCSc1cnn(C)c1 Cn1cc(cn1)[*:1] CC[NH2+][C@]1(CCC[C@H]1CCS[*:1])C(=O)[O-]
Cc1c(C2CC2)n[nH]c1NC(=O)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] Cc1c(n[nH]c1NC(=O)c1ccc(cc1)[*:1])C1CC1
Cc1c(C2CC2)n[nH]c1NC(=O)c1ccc([S@](C)=O)cc1 C1CC1[*:1] Cc1c(n[nH]c1NC(=O)c1ccc(cc1)[S@](C)=O)[*:1]
CCN(Cc1cccs1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O c1csc(c1)C[*:1] CCN(C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[*:1]
CCN(Cc1cccs1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O c1csc(c1)[*:1] CCN(C[*:1])C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O
O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc(nn1-c1ccccc1)[*:1]
O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2ccccc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc(nn1[*:1])-c1ccccc1
CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccc2c(c1)CC(=O)N2C CCS(=O)(=O)C[*:1] CC[C@H]([NH2+][C@@H](C)[*:1])c1ccc2c(c1)CC(=O)N2C
CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccc2c(c1)CC(=O)N2C CCS(=O)(=O)[*:1] CC[C@H]([NH2+][C@@H](C)C[*:1])c1ccc2c(c1)CC(=O)N2C
CNc1nc(-c2cccc(C3CC3)c2)nc(COC)c1Br C1CC1[*:1] CNc1nc(nc(COC)c1Br)-c1cccc(c1)[*:1]
CNc1nc(-c2cccc(C3CC3)c2)nc(COC)c1Br COC[*:1] CNc1nc(nc(c1Br)[*:1])-c1cccc(c1)C1CC1
O=C(c1ccc(-n2cccc2)nc1)N1CCCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccc(nc1)-n1cccc1)N1CCCN(CC1)C[*:1]
O=C(c1ccc(-n2cccc2)nc1)N1CCCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] O=C(c1ccc(nc1)-n1cccc1)N1CCCN(CC1)[*:1]
O=C(c1ccc(-n2cccc2)nc1)N1CCCN(CC(F)(F)F)CC1 c1ccn(c1)[*:1] O=C(c1ccc(nc1)[*:1])N1CCCN(CC1)CC(F)(F)F
Cc1ccc(N)cc1SCC(=O)N[C@@H](C)CCC(C)C CC(C)C[*:1] Cc1ccc(N)cc1SCC(=O)N[C@@H](C)C[*:1]
Cc1ccc(N)cc1SCC(=O)N[C@@H](C)CCC(C)C CC(C)CC[*:1] Cc1ccc(N)cc1SCC(=O)N[C@@H](C)[*:1]
Cc1ccc(N)cc1SCC(=O)N[C@@H](C)CCC(C)C CC(C)[*:1] Cc1ccc(N)cc1SCC(=O)N[C@@H](C)CC[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C CC(C)[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H](C[*:1])[NH+](C)C
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C CC(C)C[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C)[*:1]
COCCCNC(=O)CCc1ccccc1Cl COCC[*:1] O=C(CCc1ccccc1Cl)NC[*:1]
COCCCNC(=O)CCc1ccccc1Cl COCCC[*:1] O=C(CCc1ccccc1Cl)N[*:1]
COCCCNC(=O)CCc1ccccc1Cl COC[*:1] O=C(CCc1ccccc1Cl)NCC[*:1]
CCSc1nnc(SCCN2CCSCC2)s1 CCS[*:1] C1CN(CCS1)CCSc1nnc(s1)[*:1]
Cc1n[nH]c(C)c1NC(=O)Cc1ccc(-c2ccccc2)cc1 Cc1n[nH]c(C)c1[*:1] O=C(Cc1ccc(cc1)-c1ccccc1)N[*:1]
Cc1n[nH]c(C)c1NC(=O)Cc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1NC(=O)Cc1ccc(cc1)[*:1]
Cc1cc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n(n1)[*:1]
Cc1cc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n(C[*:1])n1
CCCNc1cccc(CN2CCn3cnnc3C2)[nH+]1 CCCN[*:1] c1cc(CN2CCn3cnnc3C2)[nH+]c(c1)[*:1]
CCCNc1cccc(CN2CCn3cnnc3C2)[nH+]1 CCC[*:1] c1cc(CN2CCn3cnnc3C2)[nH+]c(c1)N[*:1]
O=C(Cc1cccs1)NCc1nnnn1C1CCCCC1 c1csc(c1)C[*:1] O=C(NCc1nnnn1C1CCCCC1)[*:1]
O=C(Cc1cccs1)NCc1nnnn1C1CCCCC1 C1CCC(CC1)[*:1] O=C(Cc1cccs1)NCc1nnnn1[*:1]
O=C(Cc1cccs1)NCc1nnnn1C1CCCCC1 c1csc(c1)[*:1] O=C(C[*:1])NCc1nnnn1C1CCCCC1
CSC[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C CSC[*:1] CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[*:1]
CSC[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)C(C)C CC(C)[*:1] CSC[C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)[*:1]
O=C(Nc1cccc(-n2cnnn2)c1)c1cc[nH]n1 c1cc(n[nH]1)[*:1] O=C(Nc1cccc(c1)-n1cnnn1)[*:1]
O=C(Nc1cccc(-n2cnnn2)c1)c1cc[nH]n1 c1nnnn1[*:1] O=C(Nc1cccc(c1)[*:1])c1cc[nH]n1
CC/[NH+]=C(/NCC1CC1)NC[C@@H]1CN2CCC[C@@H]2CO1 C1CC1[*:1] CC/[NH+]=C(\NC[C@@H]1CN2CCC[C@@H]2CO1)NC[*:1]
CC/[NH+]=C(/NCC1CC1)NC[C@@H]1CN2CCC[C@@H]2CO1 C1CC1C[*:1] CC/[NH+]=C(\NC[C@@H]1CN2CCC[C@@H]2CO1)N[*:1]
O=C(Cn1ccnc1)Nc1ccc(N2CCCCC2)cn1 c1cn(cn1)C[*:1] O=C(Nc1ccc(cn1)N1CCCCC1)[*:1]
O=C(Cn1ccnc1)Nc1ccc(N2CCCCC2)cn1 c1cn(cn1)[*:1] O=C(C[*:1])Nc1ccc(cn1)N1CCCCC1
O=C(Cn1ccnc1)Nc1ccc(N2CCCCC2)cn1 C1CCN(CC1)[*:1] O=C(Cn1ccnc1)Nc1ccc(cn1)[*:1]
Cc1cc2n(n1)CCC(=O)N2[C@@H](C)C(=O)NCc1ccccn1 c1ccc(C[*:1])nc1 Cc1cc2N(C(=O)CCn2n1)[C@@H](C)C(=O)N[*:1]
Cc1cc2n(n1)CCC(=O)N2[C@@H](C)C(=O)NCc1ccccn1 c1ccc(nc1)[*:1] Cc1cc2N(C(=O)CCn2n1)[C@@H](C)C(=O)NC[*:1]
O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)NC[C@@H]1COCCO1 C1CO[C@@H](CO1)[*:1] O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)NC[*:1]
COC(=O)C[C@@H](C)NC(=O)C[C@H]1C=CCC1 COC(=O)[*:1] C[C@H](C[*:1])NC(=O)C[C@H]1C=CCC1
COC(=O)C[C@@H](C)NC(=O)C[C@H]1C=CCC1 COC(=O)C[*:1] C[C@@H](NC(=O)C[C@H]1C=CCC1)[*:1]
CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)cc1 CCOC(=O)[*:1] O=C(Nc1nc2c(CCC[C@H]2C(=O)Nc2ccc(cc2)[*:1])s1)c1ccc2OCOc2c1
CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)cc1 c1cc2OCOc2cc1[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[C@@H]1CCCc2sc(nc21)NC(=O)[*:1]
CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)cc1 CCOC(=O)c1ccc(cc1)[*:1] O=C(Nc1nc2c(CCC[C@H]2C(=O)N[*:1])s1)c1ccc2OCOc2c1
Cc1c([C@@H](C)NC(=O)CCn2ccc(=O)[nH]c2=O)cnn1-c1cccc(F)c1 O=c1ccn(C[*:1])c(=O)[nH]1 Cc1c(cnn1-c1cccc(F)c1)[C@@H](C)NC(=O)C[*:1]
Cc1c([C@@H](C)NC(=O)CCn2ccc(=O)[nH]c2=O)cnn1-c1cccc(F)c1 O=c1ccn(c(=O)[nH]1)[*:1] Cc1c(cnn1-c1cccc(F)c1)[C@@H](C)NC(=O)CC[*:1]
Cc1c([C@@H](C)NC(=O)CCn2ccc(=O)[nH]c2=O)cnn1-c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC(=O)CCn1ccc(=O)[nH]c1=O
CC(C)c1ccccc1NC(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] CC(C)c1ccccc1NC(=O)C(=O)NC1CCN(CC1)C(=O)[*:1]
CC(C)c1ccccc1NC(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC(C)c1ccccc1[*:1] O=C(NC1CCN(CC1)C(=O)c1ccoc1)C(=O)N[*:1]
CC(C)c1ccccc1NC(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 CC(C)[*:1] O=C(Nc1ccccc1[*:1])C(=O)NC1CCN(CC1)C(=O)c1ccoc1
c1ccc([C@@H]2C[C@@H]2C[NH2+]C2Cc3ccccc3C2)cc1 c1ccc(cc1)[*:1] c1ccc2CC(Cc2c1)[NH2+]C[C@H]1C[C@H]1[*:1]
CN(C)c1ccc(C(=S)N2CCCC2)cc1Br CN(C)[*:1] S=C(c1ccc(c(Br)c1)[*:1])N1CCCC1
C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCN1CCS(=O)(=O)CC1 Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)NCCN1CCS(=O)(=O)CC1
Cn1cnc(CNC(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(c(Cl)c1)-n1cccn1
Cn1cnc(CNC(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)n1 Cn1cnc(C[*:1])n1 O=C(Nc1ccc(c(Cl)c1)-n1cccn1)C(=O)N[*:1]
Cn1cnc(CNC(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)n1 c1cnn(c1)[*:1] Cn1cnc(CNC(=O)C(=O)Nc2ccc(c(Cl)c2)[*:1])n1
NC(=O)c1ccc(CNC(=O)NCCSc2ccccc2)o1 c1ccc(cc1)[*:1] NC(=O)c1ccc(CNC(=O)NCCS[*:1])o1
NC(=O)c1ccc(CNC(=O)NCCSc2ccccc2)o1 NC(=O)[*:1] O=C(NCCSc1ccccc1)NCc1ccc(o1)[*:1]
NC(=O)c1ccc(CNC(=O)NCCSc2ccccc2)o1 c1ccc(cc1)S[*:1] NC(=O)c1ccc(CNC(=O)NCC[*:1])o1
COc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)cc1 COc1ccc(cc1)[*:1] Cc1ccc2c(c1)NC1(CCN(CC1)S(=O)(=O)[*:1])c1cccn1-2
Cn1cc(COC(=O)/C=C/c2ccccc2OC(F)(F)F)cn1 FC(F)(F)[*:1] Cn1cc(cn1)COC(=O)/C=C/c1ccccc1O[*:1]
Cn1cc(COC(=O)/C=C/c2ccccc2OC(F)(F)F)cn1 Cn1cc(cn1)C[*:1] O=C(/C=C/c1ccccc1OC(F)(F)F)O[*:1]
Cn1cc(COC(=O)/C=C/c2ccccc2OC(F)(F)F)cn1 Cn1cc(cn1)[*:1] O=C(/C=C/c1ccccc1OC(F)(F)F)OC[*:1]
Cn1cc(COC(=O)/C=C/c2ccccc2OC(F)(F)F)cn1 FC(F)(F)O[*:1] Cn1cc(cn1)COC(=O)/C=C/c1ccccc1[*:1]
Cc1cc(Cc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)c(=O)[nH]n1 c1ccc(cc1)[*:1] Cc1cc(Cc2ccc(cc2)S(=O)(=O)N2CCC(CC2)C[*:1])c(=O)[nH]n1
Cc1cc(Cc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)c(=O)[nH]n1 Cc1cc(C[*:1])c(=O)[nH]n1 O=S(=O)(c1ccc(cc1)[*:1])N1CCC(CC1)Cc1ccccc1
Cc1cc(Cc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)c(=O)[nH]n1 c1ccc(cc1)C[*:1] Cc1cc(Cc2ccc(cc2)S(=O)(=O)N2CCC(CC2)[*:1])c(=O)[nH]n1
CCc1nc(N[C@H](C)c2ccccc2)c2onc(-c3ccc(C)cc3)c2n1 Cc1ccc(cc1)[*:1] CCc1nc(N[C@H](C)c2ccccc2)c2onc(c2n1)[*:1]
CCc1nc(N[C@H](C)c2ccccc2)c2onc(-c3ccc(C)cc3)c2n1 C[C@@H](N[*:1])c1ccccc1 CCc1nc(c2onc(-c3ccc(C)cc3)c2n1)[*:1]
CCc1nc(N[C@H](C)c2ccccc2)c2onc(-c3ccc(C)cc3)c2n1 c1ccc(cc1)[*:1] CCc1nc(N[C@H](C)[*:1])c2onc(-c3ccc(C)cc3)c2n1
CCc1nc(N[C@H](C)c2ccccc2)c2onc(-c3ccc(C)cc3)c2n1 C[C@H](c1ccccc1)[*:1] CCc1nc(N[*:1])c2onc(-c3ccc(C)cc3)c2n1
CC(=O)NCc1ccc(C(=O)Nc2cc(C)on2)cc1 CC(=O)N[*:1] Cc1cc(no1)NC(=O)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(C(=O)Nc2cc(C)on2)cc1 CC(=O)NC[*:1] Cc1cc(no1)NC(=O)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)Nc2cc(C)on2)cc1 Cc1cc(no1)[*:1] CC(=O)NCc1ccc(cc1)C(=O)N[*:1]
C[C@@H](Cn1cc[nH+]c1)Nc1nc2sccn2c1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](Cn1cc[nH+]c1)Nc1nc2sccn2c1[*:1]
CC[NH+]1CCCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC[NH+]1CCCN(CC1)C(=O)c1c[nH]nc1[*:1]
CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] CC[C@H](C#N)Oc1cccc(c1)CNC(=O)[*:1]
O=C(NCCN1CCOCC1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] O=C(NCCN1CCOCC1)c1cccc(c1F)[*:1]
O=C(NCCN1CCOCC1)c1cccc(C(F)(F)F)c1F C1CN(CCO1)[*:1] O=C(NCC[*:1])c1cccc(c1F)C(F)(F)F
O=C(NCCN1CCOCC1)c1cccc(C(F)(F)F)c1F C1CN(CCO1)C[*:1] O=C(NC[*:1])c1cccc(c1F)C(F)(F)F
O=C(Nc1ccc(N2CCOCC2)cn1)c1ccccc1I C1CN(CCO1)[*:1] O=C(Nc1ccc(cn1)[*:1])c1ccccc1I
O=C(Nc1ccc(N2CCOCC2)cn1)c1ccccc1I Ic1ccccc1[*:1] O=C(Nc1ccc(cn1)N1CCOCC1)[*:1]
CN(CC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)cn1 C1CCC(C1)[*:1] CN(CC(=O)N1CC[NH+](CC1)[*:1])c1ccc(C#N)cn1
CN(CC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)cn1 N#Cc1ccc(nc1)[*:1] CN(CC(=O)N1CC[NH+](CC1)C1CCCC1)[*:1]
C[C@@H](CNC(=O)C1(C#N)CCC1)Oc1ccc(Cl)cc1 N#CC1(CCC1)[*:1] C[C@@H](CNC(=O)[*:1])Oc1ccc(Cl)cc1
CCOC(=O)CCn1c([C@H](C)Cl)nc2cccnc21 CCOC(=O)C[*:1] C[C@H](Cl)c1nc2cccnc2n1C[*:1]
CCOC(=O)CCn1c([C@H](C)Cl)nc2cccnc21 C[C@H](Cl)[*:1] CCOC(=O)CCn1c(nc2cccnc21)[*:1]
CCOC(=O)CCn1c([C@H](C)Cl)nc2cccnc21 CCOC(=O)[*:1] C[C@H](Cl)c1nc2cccnc2n1CC[*:1]
C[C@@]1(c2cccs2)NC(=O)N(CC(=O)Nc2ncc(C(F)(F)F)cc2Cl)C1=O FC(F)(F)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ncc(cc2Cl)[*:1])C1=O)c1cccs1
C[C@@]1(c2cccs2)NC(=O)N(CC(=O)Nc2ncc(C(F)(F)F)cc2Cl)C1=O c1csc(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)Nc2ncc(cc2Cl)C(F)(F)F)C1=O)[*:1]
C[C@H]1CC[C@@H](Nc2cncc(C(=O)[O-])n2)[C@H](C)C1 O=C([O-])[*:1] C[C@H]1CC[C@@H](Nc2cncc(n2)[*:1])[C@H](C)C1
Fc1ccc(NCc2ccco2)c(OCC(F)(F)F)c1 FC(F)(F)[*:1] Fc1ccc(NCc2ccco2)c(c1)OC[*:1]
Fc1ccc(NCc2ccco2)c(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] Fc1ccc(NCc2ccco2)c(c1)[*:1]
Fc1ccc(NCc2ccco2)c(OCC(F)(F)F)c1 FC(F)(F)C[*:1] Fc1ccc(NCc2ccco2)c(c1)O[*:1]
Fc1ccc(NCc2ccco2)c(OCC(F)(F)F)c1 c1coc(c1)[*:1] Fc1ccc(NC[*:1])c(c1)OCC(F)(F)F
Fc1ccc(NCc2ccco2)c(OCC(F)(F)F)c1 c1coc(c1)C[*:1] Fc1ccc(N[*:1])c(c1)OCC(F)(F)F
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC FC(F)(F)[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC FC(F)(F)c1ccccc1[*:1] COc1cc(/C=C(\C#N)C(=O)N[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c(cc1OC)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)C1 O=C1OCC[C@H]1[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)S[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)C1 O=C1OCC[C@H]1S[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccc(cc1)[*:1]
O=C(NC1CC1)[C@@H]1CCCN1C(=O)CCCCO OCC[*:1] O=C(NC1CC1)[C@@H]1CCCN1C(=O)CC[*:1]
O=C(NC1CC1)[C@@H]1CCCN1C(=O)CCCCO C1CC1[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)CCCCO
O=C(NC1CC1)[C@@H]1CCCN1C(=O)CCCCO OCCC[*:1] O=C(NC1CC1)[C@@H]1CCCN1C(=O)C[*:1]
O=C(NC1CC1)[C@@H]1CCCN1C(=O)CCCCO OCCCC[*:1] O=C(NC1CC1)[C@@H]1CCCN1C(=O)[*:1]
O=C(NC1CC1)[C@@H]1CCCN1C(=O)CCCCO O=C(NC1CC1)[*:1] O=C(CCCCO)N1CCC[C@H]1[*:1]
COCC1=C(C(=O)OC)[C@H](c2cc(OC)ccc2OC)n2nnnc2N1 COC(=O)[*:1] COCC1Nc2nnnn2[C@H](C=1[*:1])c1cc(ccc1OC)OC
COCC1=C(C(=O)OC)[C@H](c2cc(OC)ccc2OC)n2nnnc2N1 COC[*:1] COC(=O)C1=C(Nc2nnnn2[C@H]1c1cc(ccc1OC)OC)[*:1]
CC(C)(CNC(=O)NCc1cccnc1-n1cccn1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)NCc1cccnc1-n1cccn1)[*:1]
CC(C)(CNC(=O)NCc1cccnc1-n1cccn1)c1ccccc1 c1cnn(c1)[*:1] CC(C)(CNC(=O)NCc1cccnc1[*:1])c1ccccc1
Cc1cnc([C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@H](NC(=O)N1CCC[C@@H](C1)[NH+]1CCCC1)[*:1]
Cc1cnc([C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C2CC2)s1 Cc1cnc(s1)[*:1] O=C(N[C@H](C1CC1)[*:1])N1CCC[C@@H](C1)[NH+]1CCCC1
CC[S@@](=O)[C@H]1CCC[C@H](NS(=O)(=O)CC2CCC2)C1 C1CC(C1)C[*:1] CC[S@@](=O)[C@H]1CCC[C@@H](C1)NS(=O)(=O)[*:1]
CC[S@@](=O)[C@H]1CCC[C@H](NS(=O)(=O)CC2CCC2)C1 CC[S@@](=O)[*:1] O=S(=O)(CC1CCC1)N[C@H]1CCC[C@@H](C1)[*:1]
CC[S@@](=O)[C@H]1CCC[C@H](NS(=O)(=O)CC2CCC2)C1 C1CC(C1)[*:1] CC[S@@](=O)[C@H]1CCC[C@@H](C1)NS(=O)(=O)C[*:1]
O=C(NC[C@@H]1Cc2cc(F)cc(-c3ncccn3)c2O1)c1noc2c1CCCC2 c1cnc(nc1)[*:1] O=C(NC[C@@H]1Cc2cc(F)cc(c2O1)[*:1])c1noc2CCCCc12
O=C(NC[C@@H]1Cc2cc(F)cc(-c3ncccn3)c2O1)c1noc2c1CCCC2 C1CCc2c(noc2C1)[*:1] O=C(NC[C@@H]1Cc2cc(F)cc(-c3ncccn3)c2O1)[*:1]
C[C@]1(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1(Cl)Cl Clc1ccc(Cl)c(c1)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)s1 Cc1ccc(s1)[*:1] Cc1nc(cs1)-c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)s1 Cc1nc(cs1)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCc2cc(ccc21)[*:1]
O=C(CCl)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 O=C(CCl)N[*:1] O=C(Nc1ccc2OCOc2c1)c1ccccc1[*:1]
COc1ccc(CNC(=O)Cn2c(=O)nc3n2C(=O)N(c2ccccc2)C3)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)Cn1c(=O)nc2CN(C(=O)n21)[*:1]
COc1ccc(CNC(=O)Cn2c(=O)nc3n2C(=O)N(c2ccccc2)C3)cc1 COc1ccc(cc1)[*:1] O=C(Cn1c(=O)nc2CN(C(=O)n21)c1ccccc1)NC[*:1]
COc1ccc(CNC(=O)Cn2c(=O)nc3n2C(=O)N(c2ccccc2)C3)cc1 COc1ccc(cc1)C[*:1] O=C(Cn1c(=O)nc2CN(C(=O)n21)c1ccccc1)N[*:1]
CCc1ccc(CNc2ccc(-c3nc(C)n[nH]3)cc2)o1 CCc1ccc(o1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NC[*:1]
CCc1ccc(CNc2ccc(-c3nc(C)n[nH]3)cc2)o1 Cc1n[nH]c(n1)[*:1] CCc1ccc(CNc2ccc(cc2)[*:1])o1
CC/C=C(/C)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 CCC=C(C)[*:1] CC(C)CNC(=O)c1ccc(cc1Cl)NC(=O)[*:1]
CC/C=C(/C)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 CC(C)[*:1] CC/C=C(/C)C(=O)Nc1ccc(C(=O)NC[*:1])c(Cl)c1
CC/C=C(/C)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 CC(C)CNC(=O)[*:1] CC/C=C(/C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CC/C=C(/C)C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 CC(C)C[*:1] CC/C=C(/C)C(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
C[NH+](CCN1CCCC1=O)Cc1ccc(N2CCCC2)nc1 O=C1CCCN1C[*:1] C[NH+](Cc1ccc(nc1)N1CCCC1)C[*:1]
C[NH+](CCN1CCCC1=O)Cc1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] C[NH+](CCN1CCCC1=O)Cc1ccc(nc1)[*:1]
C[NH+](CCN1CCCC1=O)Cc1ccc(N2CCCC2)nc1 O=C1CCCN1[*:1] C[NH+](CC[*:1])Cc1ccc(nc1)N1CCCC1
O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1C(F)(F)F Fc1ccc(cc1)[*:1] O=C(NCCOc1ccc(nn1)[*:1])c1ccccc1C(F)(F)F
O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCCOc1ccc(nn1)-c1ccc(F)cc1)c1ccccc1[*:1]
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCC1(c2ccccc2)CCCC1 CC(C)[*:1] O=C(N[C@@H](C(=O)NCC1(CCCC1)c1ccccc1)[*:1])c1cccs1
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCC1(c2ccccc2)CCCC1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NCC1(CCCC1)c1ccccc1
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCC1(c2ccccc2)CCCC1 O=C(N[*:1])c1cccs1 CC(C)[C@@H](C(=O)NCC1(CCCC1)c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCC1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCC1(CCCC1)[*:1]
COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)cc1OC Cc1cc(n(C)n1)[*:1] COc1ccc(cc1OC)C[C@@H](C)[NH2+][C@H]1CCN(C1=O)[*:1]
Cc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)c(c1)[*:1]
Cc1ccccc1SCC(=O)NC[C@@H](C)c1ccsc1 c1cc(cs1)[*:1] Cc1ccccc1SCC(=O)NC[C@@H](C)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(CC(=O)NC2CC2)CC1 Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)N1CCN(CC1)CC(=O)NC1CC1)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(CC(=O)NC2CC2)CC1 O=C(C[*:1])NC1CC1 Cc1onc(c1C(=O)N1CCN(CC1)[*:1])-c1c(F)cccc1Cl
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(CC(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] Cc1onc(c1C(=O)N1CCN(CC1)C[*:1])-c1c(F)cccc1Cl
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(CC(=O)NC2CC2)CC1 C1CC1[*:1] Cc1onc(c1C(=O)N1CCN(CC1)CC(=O)N[*:1])-c1c(F)cccc1Cl
CCn1c(CC2CCN(C(=O)c3onc4ccccc34)CC2)nn(C)c1=O CCn1c(nn(C)c1=O)[*:1] O=C(c1onc2ccccc12)N1CCC(CC1)C[*:1]
CCn1c(CC2CCN(C(=O)c3onc4ccccc34)CC2)nn(C)c1=O c1ccc2c(onc2c1)[*:1] CCn1c(CC2CCN(CC2)C(=O)[*:1])nn(C)c1=O
O=C(CC[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(CC[*:1])N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1
O=C(CC[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(CC[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)[*:1]
O=C(CC[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] O=C(CC[C@@H]1CCCO1)N[C@H]([C@@H]1CCCO1)[*:1]
O=C(CC[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)CC[*:1] O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[*:1]
O=C(CC[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(C[*:1])N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1
O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(Br)c(Br)s1 O=[N+]([O-])[*:1] O=C(NCCn1cc(cn1)[*:1])c1cc(Br)c(Br)s1
CC(C)NC(=O)c1cc(-c2cccnc2)on1 CC(C)[*:1] O=C(N[*:1])c1cc(on1)-c1cccnc1
O=C([O-])CSc1nnc(Cc2ccncc2)n1-c1ccccc1Cl c1cc(ccn1)[*:1] O=C([O-])CSc1nnc(C[*:1])n1-c1ccccc1Cl
O=C([O-])CSc1nnc(Cc2ccncc2)n1-c1ccccc1Cl O=C([O-])C[*:1] Clc1ccccc1-n1c(Cc2ccncc2)nnc1S[*:1]
O=C([O-])CSc1nnc(Cc2ccncc2)n1-c1ccccc1Cl O=C([O-])CS[*:1] Clc1ccccc1-n1c(Cc2ccncc2)nnc1[*:1]
O=C([O-])CSc1nnc(Cc2ccncc2)n1-c1ccccc1Cl O=C([O-])[*:1] Clc1ccccc1-n1c(Cc2ccncc2)nnc1SC[*:1]
O=C([O-])CSc1nnc(Cc2ccncc2)n1-c1ccccc1Cl c1cc(ccn1)C[*:1] O=C([O-])CSc1nnc(n1-c1ccccc1Cl)[*:1]
O=C([O-])CSc1nnc(Cc2ccncc2)n1-c1ccccc1Cl Clc1ccccc1[*:1] O=C([O-])CSc1nnc(Cc2ccncc2)n1[*:1]
CSc1sc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1C O=[N+]([O-])[*:1] CSc1sc(nc1C)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
Cc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2F)c1 Cc1cccc(c1)[*:1] O=C(NC1CCCC1)[C@H](N(C(=O)c1csnn1)c1ccccc1F)[*:1]
Cc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2F)c1 O=C(NC1CCCC1)[*:1] Cc1cccc(c1)[C@H](N(C(=O)c1csnn1)c1ccccc1F)[*:1]
Cc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2F)c1 c1snnc1[*:1] Cc1cccc(c1)[C@H](C(=O)NC1CCCC1)N(C(=O)[*:1])c1ccccc1F
Cc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1cccc(c1)[C@H](C(=O)NC1CCCC1)N(C(=O)c1csnn1)[*:1]
Cc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2F)c1 C1CCC(C1)[*:1] Cc1cccc(c1)[C@H](C(=O)N[*:1])N(C(=O)c1csnn1)c1ccccc1F
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(F)cc2Cl)c(=O)[nH]c1=O c1coc(c1)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C[*:1])C(=O)c1ccc(F)cc1Cl
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(F)cc2Cl)c(=O)[nH]c1=O Fc1ccc(c(Cl)c1)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(Cc1ccco1)C(=O)[*:1]
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(F)cc2Cl)c(=O)[nH]c1=O CCC[*:1] Nc1c(c(=O)[nH]c(=O)n1C[*:1])N(Cc1ccco1)C(=O)c1ccc(F)cc1Cl
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(F)cc2Cl)c(=O)[nH]c1=O CCCC[*:1] Nc1c(c(=O)[nH]c(=O)n1[*:1])N(Cc1ccco1)C(=O)c1ccc(F)cc1Cl
CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(F)cc2Cl)c(=O)[nH]c1=O c1coc(c1)C[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C(=O)c1ccc(F)cc1Cl)[*:1]
C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 O=[N+]([O-])[*:1] C[C@@H]1CN(CC[NH2+]1)c1ccc(Cl)cc1[*:1]
COC(=O)CNC(=O)c1ccc(N2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)CNC(=O)c1ccc(c(c1)[*:1])N1CCC[C@H](C)CC1
COC(=O)CNC(=O)c1ccc(N2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 COC(=O)CNC(=O)[*:1] C[C@H]1CCCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
COC(=O)CNC(=O)c1ccc(N2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 C[C@H]1CCCN(CC1)[*:1] COC(=O)CNC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
COC(=O)CNC(=O)c1ccc(N2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 COC(=O)[*:1] C[C@H]1CCCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)NC[*:1]
COC(=O)CNC(=O)c1ccc(N2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 COC(=O)C[*:1] C[C@H]1CCCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
COC(=O)C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCOCC1 COC(=O)C[*:1] O=C(Nc1ccccc1[N+](=O)[O-])[C@@H](N1CCOCC1)[*:1]
COC(=O)C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCOCC1 O=[N+]([O-])[*:1] COC(=O)C[C@@H](C(=O)Nc1ccccc1[*:1])N1CCOCC1
COC(=O)C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCOCC1 COC(=O)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])[C@H](C[*:1])N1CCOCC1
COC(=O)C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCOCC1 C1CN(CCO1)[*:1] COC(=O)C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[*:1]
C[C@H]1CCCC[C@H]1N(C)C(=O)COc1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] C[C@H]1CCCC[C@H]1N(C)C(=O)COc1ccc(cc1)[*:1]
CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]2COCCO2)cc1 C1CO[C@@H](CO1)[*:1] CC(C)Sc1ccc(cc1)[C@@H](C)NC(=O)[*:1]
CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]2COCCO2)cc1 CC(C)[*:1] C[C@@H](NC(=O)[C@@H]1COCCO1)c1ccc(cc1)S[*:1]
CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]2COCCO2)cc1 CC(C)S[*:1] C[C@@H](NC(=O)[C@@H]1COCCO1)c1ccc(cc1)[*:1]
CCNC(=O)N1CC[C@@H]([NH2+][C@H](CC)C(C)C)C1 CC(C)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@H](CC)[*:1]
CON(C)S(=O)(=O)c1ccc(NC(=O)C#Cc2ccccc2)cc1 c1ccc(cc1)[*:1] CON(C)S(=O)(=O)c1ccc(cc1)NC(=O)C#C[*:1]
CON(C)S(=O)(=O)c1ccc(NC(=O)C#Cc2ccccc2)cc1 CON(C)S(=O)(=O)[*:1] O=C(C#Cc1ccccc1)Nc1ccc(cc1)[*:1]
CON(C)S(=O)(=O)c1ccc(NC(=O)C#Cc2ccccc2)cc1 C(#C[*:1])c1ccccc1 CON(C)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
Oc1cccc([C@H]2CN(c3cc[nH+]c4cc(Cl)ccc34)CCO2)c1 Oc1cccc(c1)[*:1] Clc1ccc2c(cc[nH+]c2c1)N1CCO[C@H](C1)[*:1]
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCCN(C)c1ccccc1)C2=O CN(c1ccccc1)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCC[*:1])C2=O
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCCN(C)c1ccccc1)C2=O CN(C[*:1])c1ccccc1 C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCC[*:1])C2=O
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCCN(C)c1ccccc1)C2=O c1ccc(cc1)[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCCN(C)[*:1])C2=O
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCCN(C)c1ccccc1)C2=O CN(CC[*:1])c1ccccc1 C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NC[*:1])C2=O
CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC3CC3)ccc21 C1CC1[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)Nc1ccccc1C(=O)N[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC3CC3)ccc21 O=C(NC1CC1)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)Nc1ccccc1[*:1]
Cc1cccc(C(=O)Cl)c1[N+](=O)[O-] O=C(Cl)[*:1] Cc1cccc(c1[N+](=O)[O-])[*:1]
Cc1cccc(C(=O)Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(C(=O)Cl)c1[*:1]
C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)CCl Fc1cccc(c1)[*:1] C[C@@H]1CN(CCN1C(=O)CCl)C(=O)CN1CCc2sccc2[C@H]1[*:1]
CC(C)OC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(Br)cc1F CC(C)[*:1] O=C(Cn1c(cc2ccsc21)C(=O)O[*:1])Nc1ccc(Br)cc1F
CC(C)OC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(Br)cc1F CC(C)OC(=O)[*:1] O=C(Cn1c(cc2ccsc21)[*:1])Nc1ccc(Br)cc1F
CC(C)OC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(Br)cc1F Fc1cc(Br)ccc1[*:1] CC(C)OC(=O)c1cc2ccsc2n1CC(=O)N[*:1]
COc1ccc([C@H](C)NC(=O)c2cn(-c3ccc(C)cc3)nn2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)c1cn(nn1)[*:1]
C[C@@H](CNC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C[NH+]1CCCC1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@H]([C@@H]1CCCO1)[*:1])C[NH+]1CCCC1
C[C@@H](CNC(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C[NH+]1CCCC1 C1CO[C@@H](C1)[*:1] C[C@@H](CNC(=O)N[C@H](c1ccc(F)cc1)[*:1])C[NH+]1CCCC1
O=C(CCCNC(=O)c1ccco1)NC[C@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] O=C(CCCNC(=O)[*:1])NC[C@H]1CCS(=O)(=O)C1
c1cc2c(c[nH+]1)N[C@@H](c1cncc(N3CCOCC3)n1)N2 C1CN(CCO1)[*:1] c1cc2N[C@@H](Nc2c[nH+]1)c1cncc(n1)[*:1]
NC(=O)[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](Sc1nnc(c(n1)-c1ccccc1)[*:1])c1ccccc1
NC(=O)[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 NC(=O)[*:1] c1ccc(cc1)-c1nnc(nc1-c1ccccc1)S[C@H](c1ccccc1)[*:1]
NC(=O)[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](Sc1nnc(-c2ccccc2)c(n1)[*:1])c1ccccc1
NC(=O)[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](Sc1nnc(-c2ccccc2)c(n1)-c1ccccc1)[*:1]
NC1=[NH+]C[C@@H](c2ccc3c(c2)OCCCO3)N1CC1CC1 C1CC1[*:1] NC1=[NH+]C[C@@H](c2ccc3OCCCOc3c2)N1C[*:1]
NC1=[NH+]C[C@@H](c2ccc3c(c2)OCCCO3)N1CC1CC1 C1CC1C[*:1] NC1=[NH+]C[C@@H](c2ccc3OCCCOc3c2)N1[*:1]
CCNC(=O)c1ccc(NC(=O)NCC(C)(C)c2ccccc2)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)NCC(C)(C)c1ccccc1)[*:1]
CCNC(=O)c1ccc(NC(=O)NCC(C)(C)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] CCNC(=O)c1ccc(NC(=O)NCC(C)(C)[*:1])c(C)c1
Cn1c(N2CCC(NC(=O)Nc3ccccc3)CC2)[nH+]c2ccccc21 c1ccc(cc1)[*:1] Cn1c([nH+]c2ccccc21)N1CCC(CC1)NC(=O)N[*:1]
Cn1nc(C(F)(F)F)c(C#N)c1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 FC(F)(F)[*:1] Cn1nc(c(C#N)c1N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1)[*:1]
Cn1nc(C(F)(F)F)c(C#N)c1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1nc(c(C#N)c1N1CC[NH+](CC1)C(c1ccccc1)[*:1])C(F)(F)F
O=C(NCC1CCN(C(=O)Cc2cccs2)CC1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 c1csc(c1)C[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])C(=O)Nc1cc2CCCN3C(=O)Cc(c1)c23
O=C(NCC1CCN(C(=O)Cc2cccs2)CC1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 c1csc(c1)[*:1] O=C(NCC1CCN(CC1)C(=O)C[*:1])C(=O)Nc1cc2CCCN3C(=O)Cc(c1)c23
CNC(=O)[C@H]1CCCN(C(=O)NCc2cccc(NC(C)C)c2)C1 CNC(=O)[*:1] CC(C)Nc1cccc(c1)CNC(=O)N1CCC[C@@H](C1)[*:1]
CNC(=O)[C@H]1CCCN(C(=O)NCc2cccc(NC(C)C)c2)C1 CC(C)N[*:1] CNC(=O)[C@H]1CCCN(C1)C(=O)NCc1cccc(c1)[*:1]
CNC(=O)[C@H]1CCCN(C(=O)NCc2cccc(NC(C)C)c2)C1 CC(C)[*:1] CNC(=O)[C@H]1CCCN(C1)C(=O)NCc1cccc(c1)N[*:1]
Brc1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)s1 Brc1ccc(s1)[*:1] C1CCC2(CC1)C[C@@H](CCO2)[NH2+]C[*:1]
O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1)N1CCCCC1 Clc1ccc(s1)[*:1] O=C([C@H]1CCCN(C1)S(=O)(=O)[*:1])N1CCCCC1
COc1ccccc1-c1ccc(=O)n(CC(N)=O)n1 NC(=O)[*:1] COc1ccccc1-c1ccc(=O)n(C[*:1])n1
COc1ccccc1-c1ccc(=O)n(CC(N)=O)n1 NC(=O)C[*:1] COc1ccccc1-c1ccc(=O)n(n1)[*:1]
O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(F)cc2F)cs1 c1csc(c1)[*:1] O=C(C=C[*:1])Nc1nc(cs1)-c1ccc(F)cc1F
O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(F)cc2F)cs1 C(=C[*:1])c1cccs1 O=C(Nc1nc(cs1)-c1ccc(F)cc1F)[*:1]
C[C@@](O)(CNC(=O)C(=O)NC1CC1)c1cccs1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)C(=O)NC1CC1)[*:1]
C[C@@](O)(CNC(=O)C(=O)NC1CC1)c1cccs1 C1CC1[*:1] C[C@@](O)(CNC(=O)C(=O)N[*:1])c1cccs1
Cn1ncnc1NC(=O)N[C@@H]1CCSc2ccccc21 Cn1ncnc1[*:1] O=C(N[C@@H]1CCSc2ccccc21)N[*:1]
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)Nc1ccc(cc1)NC[*:1]
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1 CCOC(=O)N[*:1] Fc1ccc(cc1)CNc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(F)c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 CC(=O)N[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@@H](C1)NC(=O)c1cc(ccc1F)[*:1]
CC(=O)Nc1ccc(F)c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 N#Cc1ccc(c(F)c1)[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)N[C@H]1CCCN(C1)[*:1]
Cc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(C[C@@H]4CCCO4)CC(=O)N32)c1 Cc1cccc(c1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](N2C(=O)CN1C[C@@H]1CCCO1)[*:1]
Cc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(C[C@@H]4CCCO4)CC(=O)N32)c1 C1CO[C@@H](C1)[*:1] Cc1cccc(c1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)C[*:1]
Cc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(C[C@@H]4CCCO4)CC(=O)N32)c1 C1CO[C@@H](C1)C[*:1] Cc1cccc(c1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
NC(=O)CC1CCN(C(=O)CCn2ccc3ccccc32)CC1 NC(=O)C[*:1] O=C(CCn1ccc2ccccc21)N1CCC(CC1)[*:1]
NC(=O)CC1CCN(C(=O)CCn2ccc3ccccc32)CC1 NC(=O)[*:1] O=C(CCn1ccc2ccccc21)N1CCC(CC1)C[*:1]
COCCNC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2c(C)cccn2c1=O COCC[*:1] Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[*:1])c(nc12)N1CCCCCC1
COCCNC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2c(C)cccn2c1=O COC[*:1] Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[*:1])c(nc12)N1CCCCCC1
COCCNC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2c(C)cccn2c1=O C1CCCN(CC1)[*:1] COCCNC(=O)/C(C#N)=C/c1c(nc2c(C)cccn2c1=O)[*:1]
COCCNC(=O)/C(C#N)=C/c1c(N2CCCCCC2)nc2c(C)cccn2c1=O COCCNC(=O)[*:1] Cc1cccn2c(=O)c(C=C(C#N)[*:1])c(nc12)N1CCCCCC1
CCCNc1cc[nH+]c(CO[C@H](C)C(F)(F)F)c1 CCC[*:1] C[C@@H](OCc1cc(cc[nH+]1)N[*:1])C(F)(F)F
CCCNc1cc[nH+]c(CO[C@H](C)C(F)(F)F)c1 FC(F)(F)[*:1] CCCNc1cc[nH+]c(c1)CO[C@H](C)[*:1]
CCCNc1cc[nH+]c(CO[C@H](C)C(F)(F)F)c1 C[C@H](C(F)(F)F)[*:1] CCCNc1cc[nH+]c(c1)CO[*:1]
CCCNc1cc[nH+]c(CO[C@H](C)C(F)(F)F)c1 CCCN[*:1] C[C@@H](OCc1cc(cc[nH+]1)[*:1])C(F)(F)F
SCCCOc1ccc(Cl)cc1Br SCCC[*:1] Clc1ccc(O[*:1])c(Br)c1
SCCCOc1ccc(Cl)cc1Br SCC[*:1] Clc1ccc(OC[*:1])c(Br)c1
CCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(cc1)[*:1]
CCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 CCNC(=O)[C@H](C)[*:1] O=C(/C=C/c1ccc(cc1)C(F)(F)F)N[*:1]
CCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 CCNC(=O)[*:1] C[C@H](NC(=O)/C=C/c1ccc(cc1)C(F)(F)F)[*:1]
CCc1ccc([C@H]2CC[C@H](C(=O)NCc3ccccc3)CN2C(C)=O)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)[C@H]1CC[C@@H](CN1C(C)=O)C(=O)NC[*:1]
CCc1ccc([C@H]2CC[C@H](C(=O)NCc3ccccc3)CN2C(C)=O)cc1 CCc1ccc(cc1)[*:1] CC(=O)N1C[C@H](CC[C@@H]1[*:1])C(=O)NCc1ccccc1
CCc1ccc([C@H]2CC[C@H](C(=O)NCc3ccccc3)CN2C(C)=O)cc1 c1ccc(cc1)C[*:1] CCc1ccc(cc1)[C@H]1CC[C@@H](CN1C(C)=O)C(=O)N[*:1]
O=C(NCCc1c(F)cccc1F)[C@@H]1COc2ccc(F)cc2C1 Fc1cccc(F)c1[*:1] O=C(NCC[*:1])[C@@H]1COc2ccc(F)cc2C1
C[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(F)c(C#N)c1 Oc1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)Nc1ccc(F)c(C#N)c1
C[C@H]1Sc2ccc(C(=O)NCCc3ccco3)cc2NC1=O c1coc(c1)CC[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)N[*:1]
C[C@H]1Sc2ccc(C(=O)NCCc3ccco3)cc2NC1=O c1coc(c1)[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)NCC[*:1]
C[C@H]1Sc2ccc(C(=O)NCCc3ccco3)cc2NC1=O c1coc(c1)C[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)NC[*:1]
Cn1cncc1-c1nccn1-c1ccccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cn1cncc1-c1nccn1-c1ccccc1OC[*:1]
Cn1cncc1-c1nccn1-c1ccccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] Cn1cncc1-c1nccn1-c1ccccc1[*:1]
Cn1cncc1-c1nccn1-c1ccccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cn1cncc1-c1nccn1-c1ccccc1O[*:1]
Cn1cncc1-c1nccn1-c1ccccc1OC[C@@H]1CCCO1 Cn1cncc1[*:1] c1ccc(c(c1)OC[C@@H]1CCCO1)-n1ccnc1[*:1]
CCCCN(C)C(=O)c1n[nH]c(CC)n1 CCCC[*:1] CCc1nc(n[nH]1)C(=O)N(C)[*:1]
CCCCN(C)C(=O)c1n[nH]c(CC)n1 CCC[*:1] CCc1nc(n[nH]1)C(=O)N(C)C[*:1]
CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)(C)c2ccccc2)ccc1C CC(C)(c1ccccc1)[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1C)NC(=O)[*:1]
CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)(C)c2ccccc2)ccc1C CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C(C)(C)c1ccccc1
CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)(C)c2ccccc2)ccc1C c1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1C)NC(=O)C(C)(C)[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C1CCCC(=O)N1c1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)c(Br)c1 O=C1CCCC(=O)N1[*:1] Cc1ccc(NS(=O)(=O)c2ccc(cc2)[*:1])c(Br)c1
COc1cc(F)cc(CNC(=O)C[NH+](C)C(C)C)c1 CC(C)[*:1] COc1cc(F)cc(c1)CNC(=O)C[NH+](C)[*:1]
Cc1nn(C)c(N)c1SC#N N#CS[*:1] Cc1nn(C)c(N)c1[*:1]
C[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1F Fc1ccccc1[*:1] C[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N(C)[C@H]1[*:1]
CNC(=O)CNC(=O)CCc1nnc(-c2cc(C)nn2C)o1 Cc1cc(n(C)n1)[*:1] CNC(=O)CNC(=O)CCc1nnc(o1)[*:1]
CNC(=O)CNC(=O)CCc1nnc(-c2cc(C)nn2C)o1 CNC(=O)[*:1] Cc1cc(-c2nnc(CCC(=O)NC[*:1])o2)n(C)n1
CNC(=O)CNC(=O)CCc1nnc(-c2cc(C)nn2C)o1 CNC(=O)C[*:1] Cc1cc(-c2nnc(CCC(=O)N[*:1])o2)n(C)n1
CS(=O)(=O)CCN(c1ncnc2ccc(F)cc12)C1CC1 C1CC1[*:1] CS(=O)(=O)CCN(c1ncnc2ccc(F)cc12)[*:1]
CS(=O)(=O)CCN(c1ncnc2ccc(F)cc12)C1CC1 CS(=O)(=O)C[*:1] Fc1ccc2ncnc(c2c1)N(C[*:1])C1CC1
CS(=O)(=O)CCN(c1ncnc2ccc(F)cc12)C1CC1 CS(=O)(=O)[*:1] Fc1ccc2ncnc(c2c1)N(CC[*:1])C1CC1
CS(=O)(=O)CCN(c1ncnc2ccc(F)cc12)C1CC1 CS(=O)(=O)CC[*:1] Fc1ccc2ncnc(c2c1)N(C1CC1)[*:1]
Cc1ccccc1C[C@H](C)[NH2+]CCc1cccc(C(N)=O)c1 NC(=O)[*:1] Cc1ccccc1C[C@H](C)[NH2+]CCc1cccc(c1)[*:1]
Cc1ccccc1C[C@H](C)[NH2+]CCc1cccc(C(N)=O)c1 Cc1ccccc1[*:1] C[C@@H](C[*:1])[NH2+]CCc1cccc(c1)C(N)=O
COCCN1C[C@@H](C(=O)N[C@@H](C)c2ccncc2)CC1=O COC[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)C[*:1])c1ccncc1
COCCN1C[C@@H](C(=O)N[C@@H](C)c2ccncc2)CC1=O c1cc(ccn1)[*:1] COCCN1C[C@H](CC1=O)C(=O)N[C@@H](C)[*:1]
COCCN1C[C@@H](C(=O)N[C@@H](C)c2ccncc2)CC1=O COCC[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccncc1
Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(Cl)c1F)c(=O)n2C Fc1c(Cl)cccc1[*:1] Cn1cnc2c1c(=O)n(CC(=O)N[*:1])c(=O)n2C
COC(C)(C)CNC(=O)N[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COC(C)(C)CNC(=O)N[C@@H]1C[C@@H]1[*:1]
COC(C)(C)CNC(=O)N[C@@H]1C[C@H]1c1ccccc1 COC(C)(C)[*:1] O=C(NC[*:1])N[C@@H]1C[C@H]1c1ccccc1
COC(C)(C)CNC(=O)N[C@@H]1C[C@H]1c1ccccc1 COC(C)(C)C[*:1] O=C(N[C@@H]1C[C@H]1c1ccccc1)N[*:1]
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccn2)CC1 CC(C)[*:1] O=C(N[C@@H](C(=O)N1CCN(CC1)c1ncccn1)[*:1])c1ccc(Cl)cc1Cl
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccn2)CC1 Clc1ccc(c(Cl)c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCN(CC1)c1ncccn1
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CNC(=O)c2ccc(C)c(C)c2)C1 CCCC[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N1C[C@H](CC[C@H]1C)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CNC(=O)c2ccc(C)c(C)c2)C1 CCCCNC(=O)[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N1C[C@H](CC[C@H]1C)[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CNC(=O)c2ccc(C)c(C)c2)C1 CCC[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N1C[C@H](CC[C@H]1C)C(=O)NC[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CNC(=O)c2ccc(C)c(C)c2)C1 Cc1ccc(cc1C)[*:1] CCCCNC(=O)[C@H]1CC[C@@H](C)N(C1)C(=O)CNC(=O)[*:1]
O=C(NCc1ccc(Oc2ccccc2)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 c1ccc(cc1)O[*:1] O=C(NCc1ccc(cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1cc(F)ccc1F
O=C(NCc1ccc(Oc2ccccc2)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)O[*:1])C1CCN(CC1)S(=O)(=O)c1cc(F)ccc1F
O=C(NCc1ccc(Oc2ccccc2)cc1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 Fc1ccc(F)c(c1)[*:1] O=C(NCc1ccc(cc1)Oc1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)OCC(C)C)CC2)nc1 CC(C)[*:1] Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)OC[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)OCC(C)C)CC2)nc1 Cc1ccc(nc1)[*:1] CC(C)COC(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)OCC(C)C)CC2)nc1 CC(C)C[*:1] Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)O[*:1]
CC(C)C[C@@H]([NH+](C)C)C1(c2ccc(Cl)cc2)CCC1 CC(C)[*:1] C[NH+](C)[C@H](C[*:1])C1(CCC1)c1ccc(Cl)cc1
CC(C)C[C@@H]([NH+](C)C)C1(c2ccc(Cl)cc2)CCC1 CC(C)C[*:1] C[NH+](C)[C@@H](C1(CCC1)c1ccc(Cl)cc1)[*:1]
COC(=O)[C@H](NC(=O)[C@H](C)c1cccc(C)c1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)[C@H](NC(=O)[C@H](C)c1cccc(C)c1)[*:1]
COC(=O)[C@H](NC(=O)[C@H](C)c1cccc(C)c1)c1ccc(F)cc1F Cc1cccc(c1)[*:1] COC(=O)[C@H](NC(=O)[C@H](C)[*:1])c1ccc(F)cc1F
COC(=O)[C@H](NC(=O)[C@H](C)c1cccc(C)c1)c1ccc(F)cc1F COC(=O)[*:1] Cc1cccc(c1)[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1F)[*:1]
CCc1nc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)n[nH]1 CCc1nc(n[nH]1)[*:1] C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[*:1]
O=C(NCCNC(=O)c1ncccc1C(F)(F)F)c1ccc(O)cc1 FC(F)(F)[*:1] O=C(NCCNC(=O)c1ncccc1[*:1])c1ccc(O)cc1
O=C(NCCNC(=O)c1ncccc1C(F)(F)F)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])c1ncccc1C(F)(F)F
C[C@@]1(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)CC1(Cl)Cl N#Cc1ccc(nc1)[*:1] C[C@]1(CC1(Cl)Cl)C(=O)Nc1cccc(c1)O[*:1]
O=C1OC(c2ccccc2Br)=N/C1=C/C=C/c1ccc([N+](=O)[O-])cc1 Brc1ccccc1[*:1] O=C1OC(=N/C1=C/C=C/c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C1OC(c2ccccc2Br)=N/C1=C/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C1OC(=N/C1=C/C=C/c1ccc(cc1)[*:1])c1ccccc1Br
COC(=O)c1c(NC(=S)NN2CCOCC2)sc(C(=O)N(C)C)c1C CN(C)C(=O)[*:1] COC(=O)c1c(NC(=S)NN2CCOCC2)sc(c1C)[*:1]
COC(=O)c1c(NC(=S)NN2CCOCC2)sc(C(=O)N(C)C)c1C COC(=O)[*:1] Cc1c(sc(NC(=S)NN2CCOCC2)c1[*:1])C(=O)N(C)C
Cc1nc(N)nc(COc2ccccc2C(C)(C)C)c1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1nc(N)nc(COc2ccccc2C(C)(C)C)c1[*:1]
Cc1nc(N)nc(COc2ccccc2C(C)(C)C)c1C(=O)N(C)C CC(C)(C)[*:1] Cc1nc(N)nc(COc2ccccc2[*:1])c1C(=O)N(C)C
OC[C@@H](Nc1nccc(CCC(F)(F)F)n1)c1ccccc1 FC(F)(F)CC[*:1] OC[C@@H](Nc1nccc(n1)[*:1])c1ccccc1
OC[C@@H](Nc1nccc(CCC(F)(F)F)n1)c1ccccc1 FC(F)(F)[*:1] OC[C@@H](Nc1nccc(CC[*:1])n1)c1ccccc1
OC[C@@H](Nc1nccc(CCC(F)(F)F)n1)c1ccccc1 FC(F)(F)C[*:1] OC[C@@H](Nc1nccc(C[*:1])n1)c1ccccc1
OC[C@@H](Nc1nccc(CCC(F)(F)F)n1)c1ccccc1 c1ccc(cc1)[*:1] OC[C@@H](Nc1nccc(CCC(F)(F)F)n1)[*:1]
O=C(Cc1cscn1)N1CC[C@H]2[C@@H]3C=CC=CC3=N[C@H]2[C@@H]1c1ccccc1F c1nc(cs1)[*:1] O=C(C[*:1])N1CC[C@H]2[C@@H]3C=CC=CC3=N[C@H]2[C@@H]1c1ccccc1F
O=C(Cc1cscn1)N1CC[C@H]2[C@@H]3C=CC=CC3=N[C@H]2[C@@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(Cc1cscn1)N1CC[C@H]2[C@@H]3C=CC=CC3=N[C@H]2[C@H]1[*:1]
O=C(Cc1cscn1)N1CC[C@H]2[C@@H]3C=CC=CC3=N[C@H]2[C@@H]1c1ccccc1F c1nc(cs1)C[*:1] O=C(N1CC[C@H]2[C@@H]3C=CC=CC3=N[C@H]2[C@@H]1c1ccccc1F)[*:1]
CCOC(=O)C1CCN(C(=O)COc2ccc3cc(-c4csc(C)n4)c(=O)oc3c2)CC1 Cc1nc(cs1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)COc1ccc2cc(c(=O)oc2c1)[*:1]
CCOC(=O)C1CCN(C(=O)COc2ccc3cc(-c4csc(C)n4)c(=O)oc3c2)CC1 CCOC(=O)[*:1] Cc1nc(cs1)-c1cc2ccc(cc2oc1=O)OCC(=O)N1CCC(CC1)[*:1]
COc1cccc(CNC(=O)N(C)C2CCC2)c1 C1CC(C1)[*:1] COc1cccc(c1)CNC(=O)N(C)[*:1]
CCc1ccc(CC)c(NC(=O)c2cnn(CC)c2C(F)(F)F)c1 FC(F)(F)[*:1] CCc1ccc(CC)c(c1)NC(=O)c1cnn(CC)c1[*:1]
C=C(Cl)CCCCCC#N N#CC[*:1] C=C(Cl)CCCC[*:1]
C=C(Cl)CCCCCC#N C=C(Cl)[*:1] N#CCCCCC[*:1]
CCOC(=O)C(=O)NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCOC(=O)C(=O)NNC(=O)[C@H]1C[C@H]1[*:1]
Cc1ccc(OCC(=O)NCC(C)(C)NS(C)(=O)=O)cc1C CS(=O)(=O)N[*:1] Cc1ccc(cc1C)OCC(=O)NCC(C)(C)[*:1]
CC[C@@H](C)Oc1ccccc1C[NH2+][C@H](C)c1ccccc1 CC[C@@H](C)O[*:1] C[C@@H]([NH2+]Cc1ccccc1[*:1])c1ccccc1
CC[C@@H](C)Oc1ccccc1C[NH2+][C@H](C)c1ccccc1 CC[C@@H](C)[*:1] C[C@@H]([NH2+]Cc1ccccc1O[*:1])c1ccccc1
CC[C@@H](C)Oc1ccccc1C[NH2+][C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C)Oc1ccccc1C[NH2+][C@H](C)[*:1]
Cn1cc(C[NH+](C)CCc2ccc(Cl)cc2)cn1 Cn1cc(cn1)[*:1] C[NH+](CCc1ccc(Cl)cc1)C[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1[*:1]
CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 CC(C)[*:1] O=C(N[*:1])c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1
CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 CC(C)NC(=O)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1C[C@@H]1c1ccc(Cl)cc1
CCOc1ccc(N2CCn3c2nnc(C(=O)NCCC2=CCCCC2)c3=O)cc1 CCOc1ccc(cc1)[*:1] O=C(NCCC1=CCCCC1)c1nnc2N(CCn2c1=O)[*:1]
CCOc1ccc(N2CCn3c2nnc(C(=O)NCCC2=CCCCC2)c3=O)cc1 CCO[*:1] O=C(NCCC1=CCCCC1)c1nnc2N(CCn2c1=O)c1ccc(cc1)[*:1]
Cc1cc(N2CCC(O)(c3ccccn3)CC2)nc(-c2ccccc2)n1 c1ccc(nc1)[*:1] Cc1cc(nc(n1)-c1ccccc1)N1CCC(O)(CC1)[*:1]
Cc1cc(N2CCC(O)(c3ccccn3)CC2)nc(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(nc(n1)[*:1])N1CCC(O)(CC1)c1ccccn1
CNS(=O)(=O)c1cccc([C@@H](C)Nc2ncnc3c2oc2ccccc23)c1 CNS(=O)(=O)[*:1] C[C@@H](Nc1ncnc2c1oc1ccccc12)c1cccc(c1)[*:1]
COc1cc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c(OC)cc1NC(=O)c1ccccc1 Cc1cc(C)cc(c1)[*:1] COc1cc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])c(cc1NC(=O)c1ccccc1)OC
COc1cc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c(OC)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(NC(=O)[*:1])c(cc1NC(=O)[C@@H]1CC(=O)N(C1)c1cc(C)cc(C)c1)OC
COc1cc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c(OC)cc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 COc1cc(c(cc1NC(=O)[C@@H]1CC(=O)N(C1)c1cc(C)cc(C)c1)OC)[*:1]
N#CCN(CC#N)C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O N#CC[*:1] N#CCN(C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)[*:1]
CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)N1CCOCC1 CC(C)C[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])C(=O)Nc1ccc(F)c(Cl)c1
CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)N1CCOCC1 Fc1ccc(cc1Cl)[*:1] CC(C)C[C@H](CNC(=O)C(=O)N[*:1])N1CCOCC1
CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)N1CCOCC1 CC(C)[*:1] O=C(NC[C@@H](C[*:1])N1CCOCC1)C(=O)Nc1ccc(F)c(Cl)c1
CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)[*:1]
Cc1nc(CCCN2C(=O)N[C@@](C)(C(C)C)C2=O)cs1 Cc1nc(cs1)[*:1] CC(C)[C@]1(C)NC(=O)N(CCC[*:1])C1=O
Cc1nc(CCCN2C(=O)N[C@@](C)(C(C)C)C2=O)cs1 CC(C)[*:1] Cc1nc(cs1)CCCN1C(=O)N[C@@](C)(C1=O)[*:1]
COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1S(C)(=O)=O CS(=O)(=O)[*:1] COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1[*:1]
COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1S(C)(=O)=O COc1ccccc1[*:1] CS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1C(=O)N[*:1]
COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1S(C)(=O)=O CS(=O)(=O)c1ccccc1[*:1] COc1ccccc1NC(=O)c1ccccc1NC(=O)[*:1]
CC(C)C[C@@H](C)NS(=O)(=O)Cc1ccc(C[NH3+])cc1 CC(C)[*:1] C[C@H](C[*:1])NS(=O)(=O)Cc1ccc(cc1)C[NH3+]
CC(C)C[C@@H](C)NS(=O)(=O)Cc1ccc(C[NH3+])cc1 CC(C)C[C@@H](C)[*:1] [NH3+]Cc1ccc(cc1)CS(=O)(=O)N[*:1]
CC(C)C[C@@H](C)NS(=O)(=O)Cc1ccc(C[NH3+])cc1 CC(C)C[*:1] C[C@@H](NS(=O)(=O)Cc1ccc(cc1)C[NH3+])[*:1]
CS(=O)(=O)N1CCCn2nc(CNC(=O)NCc3ccccc3)cc2C1 c1ccc(cc1)C[*:1] CS(=O)(=O)N1CCCn2nc(cc2C1)CNC(=O)N[*:1]
CS(=O)(=O)N1CCCn2nc(CNC(=O)NCc3ccccc3)cc2C1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCCn2nc(cc2C1)CNC(=O)NC[*:1]
OC[C@@H]1O[C@H](Sc2nc3ccccc3n2Cc2nnc(-c3ccccc3)o2)[C@H](O)[C@H](O)[C@@H]1O c1ccc(cc1)[*:1] OC[C@@H]1O[C@H](Sc2nc3ccccc3n2Cc2nnc(o2)[*:1])[C@H](O)[C@H](O)[C@@H]1O
OC[C@@H]1O[C@H](Sc2nc3ccccc3n2Cc2nnc(-c3ccccc3)o2)[C@H](O)[C@H](O)[C@@H]1O c1ccc(cc1)-c1nnc(o1)[*:1] OC[C@@H]1O[C@H](Sc2nc3ccccc3n2C[*:1])[C@H](O)[C@H](O)[C@@H]1O
COc1ccc(NC(=O)N2CCC(Oc3ccc(C)nc3)CC2)cc1OC Cc1ccc(cn1)O[*:1] COc1ccc(cc1OC)NC(=O)N1CCC(CC1)[*:1]
COc1ccc(NC(=O)N2CCC(Oc3ccc(C)nc3)CC2)cc1OC Cc1ccc(cn1)[*:1] COc1ccc(cc1OC)NC(=O)N1CCC(CC1)O[*:1]
COc1cc([C@H]2CC(=O)c3cn4nc(-c5ccc(Cl)cc5)nc4nc3C2)cc(OC)c1OC Clc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CC(=O)c2cn3nc(nc3nc2C1)[*:1]
Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)[C@H](C)n3nccc3C)cc2n1 FC(F)(F)[*:1] Cc1cc(n2nc(cc2n1)[C@H]1CCCCN1C(=O)[C@H](C)n1nccc1C)[*:1]
Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)[C@H](C)n3nccc3C)cc2n1 Cc1ccnn1[*:1] Cc1cc(n2nc(cc2n1)[C@H]1CCCCN1C(=O)[C@H](C)[*:1])C(F)(F)F
CC(C)CN(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 CC(C)[*:1] CN(C[*:1])C(=O)N[C@H]1CCCN(C1)c1ccc(C#N)cc1F
CC(C)CN(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 CC(C)C[*:1] CN(C(=O)N[C@H]1CCCN(C1)c1ccc(C#N)cc1F)[*:1]
COc1cccc(CC(=O)Nc2ccc(C(C)C)cc2)c1 CC(C)[*:1] COc1cccc(c1)CC(=O)Nc1ccc(cc1)[*:1]
CNC(=O)[C@@H](C)Oc1ccc(C[NH2+]C2CC2)cc1 C1CC1[*:1] CNC(=O)[C@@H](C)Oc1ccc(cc1)C[NH2+][*:1]
CNC(=O)[C@@H](C)Oc1ccc(C[NH2+]C2CC2)cc1 CNC(=O)[*:1] C[C@@H](Oc1ccc(cc1)C[NH2+]C1CC1)[*:1]
CNC(=O)[C@@H](C)Oc1ccc(C[NH2+]C2CC2)cc1 CNC(=O)[C@@H](C)[*:1] c1cc(ccc1C[NH2+]C1CC1)O[*:1]
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)ccc2F)c1 CCN(CC)S(=O)(=O)[*:1] Cc1ccc(F)c(c1)NC(=O)c1cc(ccc1F)[*:1]
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)ccc2F)c1 Cc1ccc(F)c(c1)[*:1] CCN(CC)S(=O)(=O)c1ccc(F)c(c1)C(=O)N[*:1]
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(c1)[*:1]
COCc1nc2n(n1)C[C@H]([NH2+][C@H](c1cccs1)C1CCCC1)CC2 COC[*:1] c1csc(c1)[C@@H]([NH2+][C@@H]1CCc2nc(nn2C1)[*:1])C1CCCC1
COCc1nc2n(n1)C[C@H]([NH2+][C@H](c1cccs1)C1CCCC1)CC2 c1csc(c1)[*:1] COCc1nc2CC[C@H](Cn2n1)[NH2+][C@H](C1CCCC1)[*:1]
COCc1nc2n(n1)C[C@H]([NH2+][C@H](c1cccs1)C1CCCC1)CC2 C1CCC(C1)[*:1] COCc1nc2CC[C@H](Cn2n1)[NH2+][C@H](c1cccs1)[*:1]
Cc1nc2ncccn2c1CC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1nc2ncccn2c1CC(=O)NCc1ccc(Cl)c(c1)[*:1]
CC(C)CCS(=O)(=O)[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)CCS(=O)(=O)[C@H](C)C(=O)N1CCC(CC1)[*:1]
CC(C)CCS(=O)(=O)[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 CC(C)CCS(=O)(=O)[*:1] C[C@H](C(=O)N1CCC(CC1)Cc1ccccc1)[*:1]
CC(C)CCS(=O)(=O)[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 CC(C)CC[*:1] C[C@H](C(=O)N1CCC(CC1)Cc1ccccc1)S(=O)(=O)[*:1]
CC(C)CCS(=O)(=O)[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)CCS(=O)(=O)[C@H](C)C(=O)N1CCC(CC1)C[*:1]
CC(C)CCS(=O)(=O)[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 CC(C)[*:1] C[C@H](C(=O)N1CCC(CC1)Cc1ccccc1)S(=O)(=O)CC[*:1]
CC(C)CCS(=O)(=O)[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 CC(C)C[*:1] C[C@H](C(=O)N1CCC(CC1)Cc1ccccc1)S(=O)(=O)C[*:1]
c1ccc(Cc2nc(CN3CCC[C@H](CN4CCOCC4)C3)cs2)cc1 c1ccc(cc1)C[*:1] c1sc(nc1CN1CCC[C@H](CN2CCOCC2)C1)[*:1]
c1ccc(Cc2nc(CN3CCC[C@H](CN4CCOCC4)C3)cs2)cc1 c1ccc(cc1)[*:1] c1sc(C[*:1])nc1CN1CCC[C@H](CN2CCOCC2)C1
c1ccc(Cc2nc(CN3CCC[C@H](CN4CCOCC4)C3)cs2)cc1 C1CN(CCO1)C[*:1] c1ccc(cc1)Cc1nc(cs1)CN1CCC[C@H](C1)[*:1]
c1ccc(Cc2nc(CN3CCC[C@H](CN4CCOCC4)C3)cs2)cc1 C1CN(CCO1)[*:1] c1ccc(cc1)Cc1nc(cs1)CN1CCC[C@@H](C1)C[*:1]
Cc1cc(C(=O)N[C@H](CO)c2ccco2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)N[C@H](CO)c2ccco2)c(C)n1[*:1]
Cc1cc(C(=O)N[C@H](CO)c2ccco2)c(C)n1C1CC1 c1coc(c1)[*:1] Cc1cc(C(=O)N[C@H](CO)[*:1])c(C)n1C1CC1
CC1=NN(C(=O)c2ccc(Br)o2)[C@@](O)(C(F)F)C1 FC(F)[*:1] CC1C[C@](O)(N(N=1)C(=O)c1ccc(Br)o1)[*:1]
CC1=NN(C(=O)c2ccc(Br)o2)[C@@](O)(C(F)F)C1 Brc1ccc(o1)[*:1] CC1C[C@](O)(C(F)F)N(N=1)C(=O)[*:1]
COC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 FC(F)(F)[*:1] COC(=O)Nc1ccc(cc1)CNc1ccc(cc1[N+](=O)[O-])[*:1]
COC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 COC(=O)N[*:1] O=[N+]([O-])c1cc(ccc1NCc1ccc(cc1)[*:1])C(F)(F)F
COC(=O)Nc1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COC(=O)Nc1ccc(cc1)CNc1ccc(cc1[*:1])C(F)(F)F
Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@H](C)c2ccccc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1cc(C)c(c(n1)SCC(=O)N[C@H](C)c1ccccc1)[*:1]
Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1c(C)cc(C)nc1SCC(=O)N[C@H](C)[*:1]
Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@H](C)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)N[*:1])c(n1)SCC(=O)N[C@H](C)c1ccccc1
Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@H](C)c2ccccc2)cc1 C[C@H](c1ccccc1)[*:1] Cc1ccc(cc1)NC(=O)c1c(C)cc(C)nc1SCC(=O)N[*:1]
CCCCc1nnc(NC(=O)C(=O)N[C@H](C)c2cn(C)nc2C)s1 CCC[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)Nc1nnc(C[*:1])s1
CCCCc1nnc(NC(=O)C(=O)N[C@H](C)c2cn(C)nc2C)s1 Cc1nn(C)cc1[*:1] CCCCc1nnc(NC(=O)C(=O)N[C@H](C)[*:1])s1
CCCCc1nnc(NC(=O)C(=O)N[C@H](C)c2cn(C)nc2C)s1 CCCC[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)Nc1nnc(s1)[*:1]
CCCOc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 CCC[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)O[*:1])c1ccco1
CCCOc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 c1coc(c1)[*:1] CCCOc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
CCCOc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 CCCO[*:1] O=C(Nc1nc(cs1)-c1ccc(cc1)[*:1])c1ccco1
c1cc2c(-c3cnn(-c4nnn[n-]4)c3)cc(NC3CCCC3)nc2[nH]1 C1CCC(C1)N[*:1] c1cc2c(cc(nc2[nH]1)[*:1])-c1cnn(c1)-c1nnn[n-]1
c1cc2c(-c3cnn(-c4nnn[n-]4)c3)cc(NC3CCCC3)nc2[nH]1 C1CCC(C1)[*:1] c1cc2c(cc(nc2[nH]1)N[*:1])-c1cnn(c1)-c1nnn[n-]1
CN1C(=O)C(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1=O c1csc(c1)[*:1] CN1C(=O)C(=O)N(CC(=O)N2N=C(C[C@H]2[*:1])c2cccs2)C1=O
CN1C(=O)C(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1=O c1csc(c1)[*:1] CN1C(=O)C(=O)N(CC(=O)N2N=C(C[C@@H]2c2cccs2)[*:1])C1=O
CN1C(=O)C(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1=O CN1C(=O)C(=O)N(C1=O)[*:1] O=C(C[*:1])N1N=C(C[C@@H]1c1cccs1)c1cccs1
COc1ccc(CC[C@@H](O)[C@H](C)c2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)CC[C@@H](O)[C@H](C)[*:1]
CC(C)Cc1ccc(C#N)c(SCC(=O)c2c([O-])on[n+]2C)n1 CC(C)[*:1] C[n+]1noc([O-])c1C(=O)CSc1nc(ccc1C#N)C[*:1]
CC(C)Cc1ccc(C#N)c(SCC(=O)c2c([O-])on[n+]2C)n1 CC(C)C[*:1] C[n+]1noc([O-])c1C(=O)CSc1nc(ccc1C#N)[*:1]
Cc1cc(C(F)F)nn1CC(=O)N1CC(c2ccncc2)C1 FC(F)[*:1] Cc1cc(nn1CC(=O)N1CC(C1)c1ccncc1)[*:1]
Cc1cc(C(F)F)nn1CC(=O)N1CC(c2ccncc2)C1 c1cc(ccn1)[*:1] Cc1cc(nn1CC(=O)N1CC(C1)[*:1])C(F)F
NC(=O)CC1CC[NH+](CC(=O)NC2CCCCC2)CC1 NC(=O)[*:1] O=C(C[NH+]1CCC(CC1)C[*:1])NC1CCCCC1
NC(=O)CC1CC[NH+](CC(=O)NC2CCCCC2)CC1 NC(=O)C[*:1] O=C(C[NH+]1CCC(CC1)[*:1])NC1CCCCC1
NC(=O)CC1CC[NH+](CC(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] NC(=O)CC1CC[NH+](CC1)CC(=O)N[*:1]
CN1C(=O)c2cc(C(=O)NCCC3=c4ccccc4=[NH+]C3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] CN1C(=O)c2cc(nn2C[C@]1(C)[*:1])C(=O)NCCC1C[NH+]=c2ccccc2=1
CN1C(=O)c2cc(C(=O)NCCC3=c4ccccc4=[NH+]C3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)N[*:1])C(=O)NCCC1C[NH+]=c2ccccc2=1
CC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1C CC(C)(C)C(=O)N[*:1] CC(=O)c1ccc(cc1C)NC(=O)[C@H](C)[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@H](C)NC(=O)C(C)(C)C
CC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1C CC(C)(C)[*:1] CC(=O)c1ccc(cc1C)NC(=O)[C@H](C)NC(=O)[*:1]
Cc1cc(F)ccc1CCNCc1cn(C)nc1C(C)(C)C CC(C)(C)[*:1] Cc1cc(F)ccc1CCNCc1cn(C)nc1[*:1]
COc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2)ccc1OC(C)C C[C@@H](c1ccccc1)[*:1] COc1cc(ccc1OC(C)C)[C@H](C)NC(=O)N[*:1]
COc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2)ccc1OC(C)C c1ccc(cc1)[*:1] COc1cc(ccc1OC(C)C)[C@H](C)NC(=O)N[C@@H](C)[*:1]
COc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])[C@H](C)NC(=O)N[C@@H](C)c1ccccc1
COc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])[C@H](C)NC(=O)N[C@@H](C)c1ccccc1
C[C@H](O)[C@@H](C)Nc1c(F)cc(F)cc1F C[C@H](O)[*:1] C[C@@H](Nc1c(F)cc(F)cc1F)[*:1]
C[C@H](O)[C@@H](C)Nc1c(F)cc(F)cc1F C[C@H](O)[C@@H](C)[*:1] Fc1cc(F)c(N[*:1])c(F)c1
Cc1ccc(CNC(=O)C(=O)NC[C@H](O)C2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@H](O)C1CCCCC1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)C(=O)NC[C@H](O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)CNC(=O)C(=O)NC[C@H](O)[*:1]
COC(=O)Nc1cccc(NC(=O)c2cc(F)ccc2O)c1 COC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(F)ccc1O
CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c(C)c1 CC(=O)N[*:1] Cc1cc(cc(C)c1S(=O)(=O)Nc1ccccc1OC(F)(F)F)[*:1]
CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c(C)c1 FC(F)(F)[*:1] CC(=O)Nc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccccc1O[*:1]
CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c(C)c1 FC(F)(F)O[*:1] CC(=O)Nc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccccc1[*:1]
O=C1[C@H]2CCCN2c2ccc(S(=O)(=O)N3CCOCC3)cc2N1C/C=C/c1ccccc1 O=S(=O)(N1CCOCC1)[*:1] O=C1[C@H]2CCCN2c2ccc(cc2N1C/C=C/c1ccccc1)[*:1]
O=C1[C@H]2CCCN2c2ccc(S(=O)(=O)N3CCOCC3)cc2N1C/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 O=C1[C@H]2CCCN2c2ccc(cc2N1C[*:1])S(=O)(=O)N1CCOCC1
O=C1[C@H]2CCCN2c2ccc(S(=O)(=O)N3CCOCC3)cc2N1C/C=C/c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H]2CCCN2c2ccc(cc2N1CC=C[*:1])S(=O)(=O)N1CCOCC1
O=C1[C@H]2CCCN2c2ccc(S(=O)(=O)N3CCOCC3)cc2N1C/C=C/c1ccccc1 C(=C/c1ccccc1)\C[*:1] O=C1[C@H]2CCCN2c2ccc(cc2N1[*:1])S(=O)(=O)N1CCOCC1
CC[C@@H](c1ccccc1)[S@@](=O)CCC(=O)NC(C)(C)C CC(C)(C)[*:1] CC[C@@H](c1ccccc1)[S@@](=O)CCC(=O)N[*:1]
CC[C@@H](c1ccccc1)[S@@](=O)CCC(=O)NC(C)(C)C c1ccc(cc1)[*:1] CC[C@@H]([S@@](=O)CCC(=O)NC(C)(C)C)[*:1]
CN1C(=O)CC[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1cccc(F)c1 C1CCC(CC1)[*:1] CN1C(=O)CC[C@@H](C(=O)N[*:1])[C@@H]1c1cccc(F)c1
CN1C(=O)CC[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CN1C(=O)CC[C@@H](C(=O)NC2CCCCC2)[C@H]1[*:1]
C[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1c[nH]c2cc(F)ccc12 C1CCC(CC1)[*:1] C[C@H](N[C@H]1CCN(C1=O)[*:1])c1c[nH]c2cc(F)ccc12
CCOc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)cc1 CCO[*:1] Cc1nn(Cc2cccc3ccccc23)c(C)c1NS(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)cc1 c1ccc2c(cccc2c1)[*:1] CCOc1ccc(cc1)S(=O)(=O)Nc1c(C)nn(C[*:1])c1C
CCOc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)cc1 CCOc1ccc(cc1)[*:1] Cc1nn(Cc2cccc3ccccc23)c(C)c1NS(=O)(=O)[*:1]
CCOc1cc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2ccc(C)cc2)ccc1O CCOc1cc(ccc1O)[*:1] Cc1ccc(cc1)CN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1[*:1]
CCOc1cc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2ccc(C)cc2)ccc1O Cc1ccc(cc1)C[*:1] CCOc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1cc(Cl)ccc1O
CCOc1cc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2ccc(C)cc2)ccc1O Cc1ccc(cc1)[*:1] CCOc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1cc(Cl)ccc1O
CCOc1cc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2ccc(C)cc2)ccc1O CCO[*:1] Cc1ccc(cc1)CN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1c1ccc(O)c(c1)[*:1]
CCOc1cc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2ccc(C)cc2)ccc1O Oc1ccc(Cl)cc1[*:1] CCOc1cc(ccc1O)[C@H]1c2c(n[nH]c2C(=O)N1Cc1ccc(C)cc1)[*:1]
Cn1c(NC[C@@H]([C@@H]2CCOC2)[NH+]2CCCC2)c(C#N)c(=O)n(C)c1=O C1C[C@H](CO1)[*:1] Cn1c(NC[C@@H]([NH+]2CCCC2)[*:1])c(C#N)c(=O)n(C)c1=O
O=C(NCc1ncc[nH]1)Nc1ccc(Br)c(F)c1 c1c[nH]c(n1)[*:1] O=C(NC[*:1])Nc1ccc(Br)c(F)c1
O=C(NCc1ncc[nH]1)Nc1ccc(Br)c(F)c1 c1c[nH]c(C[*:1])n1 O=C(Nc1ccc(Br)c(F)c1)N[*:1]
COC(=O)[C@H](C)C[NH2+]Cc1ccccn1 COC(=O)[*:1] C[C@H](C[NH2+]Cc1ccccn1)[*:1]
CN1CC(=O)N2CCN(C(=O)c3ccccc3Cl)C[C@@H]2C1=O Clc1ccccc1[*:1] CN1CC(=O)N2CCN(C[C@@H]2C1=O)C(=O)[*:1]
O=C(Oc1cccc2cccnc12)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O c1ccc(cc1)C[*:1] O=C(Oc1cccc2cccnc12)[C@H](N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)[*:1]
O=C(Oc1cccc2cccnc12)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O c1cnc2c(cccc2c1)[*:1] O=C(O[*:1])[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O
O=C(Oc1cccc2cccnc12)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O c1ccc(cc1)[*:1] O=C(Oc1cccc2cccnc12)[C@H](C[*:1])N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O
Cn1nc2n(c1=O)CCN(Cc1cccc(-n3cccn3)c1)C2 c1cnn(c1)[*:1] Cn1nc2CN(CCn2c1=O)Cc1cccc(c1)[*:1]
CCC(CC)N1CC[NH+](C[C@H]2CC=CCC2)CC1 CCC(CC)[*:1] C1=CC[C@@H](CC1)C[NH+]1CCN(CC1)[*:1]
CC(C)c1cccc2c1OCC[C@@H]([NH3+])[C@@H]2O CC(C)[*:1] [NH3+][C@@H]1CCOc2c(cccc2[*:1])[C@H]1O
CCS(=O)(=O)c1ccc(CC(=O)N(Cc2ccccn2)c2nc3cc(C)cc(C)c3s2)cc1 c1ccc(C[*:1])nc1 CCS(=O)(=O)c1ccc(cc1)CC(=O)N(c1nc2cc(C)cc(C)c2s1)[*:1]
CCS(=O)(=O)c1ccc(CC(=O)N(Cc2ccccn2)c2nc3cc(C)cc(C)c3s2)cc1 Cc1cc(C)c2sc(nc2c1)[*:1] CCS(=O)(=O)c1ccc(cc1)CC(=O)N(Cc1ccccn1)[*:1]
CCS(=O)(=O)c1ccc(CC(=O)N(Cc2ccccn2)c2nc3cc(C)cc(C)c3s2)cc1 CCS(=O)(=O)[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1ccccn1)C(=O)Cc1ccc(cc1)[*:1]
CCS(=O)(=O)c1ccc(CC(=O)N(Cc2ccccn2)c2nc3cc(C)cc(C)c3s2)cc1 CCS(=O)(=O)c1ccc(cc1)[*:1] Cc1cc(C)c2sc(nc2c1)N(Cc1ccccn1)C(=O)C[*:1]
CCS(=O)(=O)c1ccc(CC(=O)N(Cc2ccccn2)c2nc3cc(C)cc(C)c3s2)cc1 c1ccc(nc1)[*:1] CCS(=O)(=O)c1ccc(cc1)CC(=O)N(C[*:1])c1nc2cc(C)cc(C)c2s1
COCCN(C(C)=O)[C@@H]1N[C@H](C)[C@@H](C(=O)Nc2nnc(C(C)(C)C)s2)S1 CC(C)(C)[*:1] COCCN(C(C)=O)[C@@H]1N[C@H](C)[C@H](S1)C(=O)Nc1nnc(s1)[*:1]
COCCN(C(C)=O)[C@@H]1N[C@H](C)[C@@H](C(=O)Nc2nnc(C(C)(C)C)s2)S1 COC[*:1] CC(=O)N(C[*:1])[C@@H]1N[C@H](C)[C@H](S1)C(=O)Nc1nnc(s1)C(C)(C)C
COCCN(C(C)=O)[C@@H]1N[C@H](C)[C@@H](C(=O)Nc2nnc(C(C)(C)C)s2)S1 COCCN(C(C)=O)[*:1] C[C@H]1N[C@H](S[C@@H]1C(=O)Nc1nnc(s1)C(C)(C)C)[*:1]
COCCN(C(C)=O)[C@@H]1N[C@H](C)[C@@H](C(=O)Nc2nnc(C(C)(C)C)s2)S1 COCC[*:1] CC(=O)N([C@@H]1N[C@H](C)[C@H](S1)C(=O)Nc1nnc(s1)C(C)(C)C)[*:1]
Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(c2nccs2)CC1 CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)N1CCN(CC1)c1nccs1
Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(CC1)[*:1]
COc1ccc(CNc2ncnc3c2[nH]c2ccc(F)cc23)cc1 COc1ccc(cc1)[*:1] Fc1ccc2[nH]c3c(ncnc3c2c1)NC[*:1]
CCCNC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 CC(C)O[*:1] CCCNC(=O)N[C@@H](C)c1cccc(c1)[*:1]
CCCNC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 CCC[*:1] CC(C)Oc1cccc(c1)[C@H](C)NC(=O)N[*:1]
CCCNC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 CC(C)[*:1] CCCNC(=O)N[C@@H](C)c1cccc(c1)O[*:1]
C[C@H](O)CCC(=O)N[C@@H]1CC1(C)C C[C@H](O)C[*:1] CC1(C)C[C@H]1NC(=O)C[*:1]
C[C@H](O)CCC(=O)N[C@@H]1CC1(C)C C[C@H](O)[*:1] CC1(C)C[C@H]1NC(=O)CC[*:1]
CCc1ccccc1SCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] CCc1ccccc1SCc1ccc(o1)[*:1]
Cc1ncccc1C(=O)N1CCN([C@H](C)C#N)CC1 C[C@H](C#N)[*:1] Cc1ncccc1C(=O)N1CCN(CC1)[*:1]
COC(=O)C(C)(C)CNc1cccc(C(F)(F)F)c1 COC(=O)[*:1] CC(C)(CNc1cccc(c1)C(F)(F)F)[*:1]
COC(=O)C(C)(C)CNc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)C(C)(C)CNc1cccc(c1)[*:1]
Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)NCc3ccccc3Cl)C2=O)cc1C Clc1ccccc1[*:1] Cc1ccc(cc1C)N1C(=O)[C@@H]2[C@@H](N=NN2CC(=O)NC[*:1])C1=O
Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)NCc3ccccc3Cl)C2=O)cc1C Clc1ccccc1C[*:1] Cc1ccc(cc1C)N1C(=O)[C@@H]2[C@@H](N=NN2CC(=O)N[*:1])C1=O
Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)NCc3ccccc3Cl)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(CN1N=N[C@H]2C(=O)N(C(=O)[C@H]21)[*:1])NCc1ccccc1Cl
Cc1cccnc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 Fc1ccc(cc1)C[*:1] Cc1cccnc1NC(=O)c1cc2c(C)nn(c2s1)[*:1]
Cc1cccnc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 Cc1cccnc1[*:1] Cc1nn(Cc2ccc(F)cc2)c2sc(cc12)C(=O)N[*:1]
Cc1cccnc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 Fc1ccc(cc1)[*:1] Cc1cccnc1NC(=O)c1cc2c(C)nn(C[*:1])c2s1
CN(C)C(=O)Cc1ccccc1NC(=O)NC[C@]1(O)CCCc2ccccc21 CN(C)C(=O)[*:1] O=C(NC[C@]1(O)CCCc2ccccc21)Nc1ccccc1C[*:1]
CN(C)C(=O)Cc1ccccc1NC(=O)NC[C@]1(O)CCCc2ccccc21 CN(C)C(=O)C[*:1] O=C(NC[C@]1(O)CCCc2ccccc21)Nc1ccccc1[*:1]
COCCN(C)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 COCC[*:1] CN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)[*:1]
COCCN(C)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 COC[*:1] CN(C[*:1])C(=O)[C@@H]1Cc2cc(Cl)ccc2O1
C[C@@H](O)CNc1nc(Br)cs1 C[C@@H](O)[*:1] Brc1csc(n1)NC[*:1]
Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(CC[NH+]2CCCC2)CCO3)n1 Cc1cnc(C)c(n1)[*:1] Oc1cc(cc2CN(CCOc12)CC[NH+]1CCCC1)[*:1]
CCC[C@@H]1SCC(=O)N1c1nncs1 CCC[*:1] O=C1CS[C@H](N1c1nncs1)[*:1]
COc1ccc(CNC(=O)NC[C@H](C)C[C@H](C)O)cc1C C[C@H](O)[*:1] COc1ccc(cc1C)CNC(=O)NC[C@H](C)C[*:1]
COc1ccc(CNC(=O)NC[C@H](C)C[C@H](C)O)cc1C C[C@H](O)C[*:1] COc1ccc(cc1C)CNC(=O)NC[C@H](C)[*:1]
C[C@H]1[C@H]([NH2+]Cc2nncn2C2CC2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1[C@@H](CC(=O)N1C[*:1])[NH2+]Cc1nncn1C1CC1
C[C@H]1[C@H]([NH2+]Cc2nncn2C2CC2)CC(=O)N1Cc1ccccc1 C1CC1[*:1] C[C@H]1[C@@H](CC(=O)N1Cc1ccccc1)[NH2+]Cc1nncn1[*:1]
C[C@H]1[C@H]([NH2+]Cc2nncn2C2CC2)CC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1[C@@H](CC(=O)N1[*:1])[NH2+]Cc1nncn1C1CC1
C[C@H]1[C@H]([NH2+]Cc2nncn2C2CC2)CC(=O)N1Cc1ccccc1 c1nnc(n1C1CC1)[*:1] C[C@H]1[C@@H](CC(=O)N1Cc1ccccc1)[NH2+]C[*:1]
CCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] CCCCN1C(=O)c2ccccc2N[C@H]1[*:1]
CCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C)o1 CCCC[*:1] Cc1ccc(o1)[C@H]1Nc2ccccc2C(=O)N1[*:1]
CCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C)o1 CCC[*:1] Cc1ccc(o1)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
CC(C)C[C@@H](C(=O)NCCc1ncnn1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O Cn1ncnc1C[*:1] CC(C)C[C@@H](C(=O)NC[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
CC(C)C[C@@H](C(=O)NCCc1ncnn1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CC(C)C[*:1] Cn1ncnc1CCNC(=O)[C@@H](N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[*:1]
CC(C)C[C@@H](C(=O)NCCc1ncnn1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O Cn1ncnc1CC[*:1] CC(C)C[C@@H](C(=O)N[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
CC(C)C[C@@H](C(=O)NCCc1ncnn1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O Cn1ncnc1[*:1] CC(C)C[C@@H](C(=O)NCC[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
CC(C)C[C@@H](C(=O)NCCc1ncnn1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O CC(C)[*:1] Cn1ncnc1CCNC(=O)[C@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
CC[C@@H](CSC)N(C)C(=O)c1c[nH+]cc([O-])c1 CSC[*:1] CC[C@@H](N(C)C(=O)c1c[nH+]cc([O-])c1)[*:1]
O=C(NCCCC1CCCC1)NC[C@@H]1CCC[C@H](O)C1 C1CCC(C1)[*:1] O=C(NCCC[*:1])NC[C@@H]1CCC[C@H](O)C1
O=C(NCCCC1CCCC1)NC[C@@H]1CCC[C@H](O)C1 C1CCC(C1)C[*:1] O=C(NCC[*:1])NC[C@@H]1CCC[C@H](O)C1
C#CCNC(=O)c1ccc(N[C@H](C)CCCO)nc1 C#CCNC(=O)[*:1] C[C@H](CCCO)Nc1ccc(cn1)[*:1]
C#CCNC(=O)c1ccc(N[C@H](C)CCCO)nc1 OCC[*:1] C#CCNC(=O)c1ccc(nc1)N[C@H](C)C[*:1]
C#CCNC(=O)c1ccc(N[C@H](C)CCCO)nc1 OCCC[*:1] C#CCNC(=O)c1ccc(nc1)N[C@H](C)[*:1]
C#CCNC(=O)c1ccc(N[C@H](C)CCCO)nc1 C#CC[*:1] C[C@H](CCCO)Nc1ccc(cn1)C(=O)N[*:1]
C#CCNC(=O)c1ccc(N[C@H](C)CCCO)nc1 C[C@H](CCCO)[*:1] C#CCNC(=O)c1ccc(nc1)N[*:1]
C[C@H](CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CNC(=O)N1CCN(CC1)C(=O)C1CCCCC1)[*:1]
C[C@H](CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1)N1CCOCC1 C1CCC(CC1)[*:1] C[C@H](CNC(=O)N1CCN(CC1)C(=O)[*:1])N1CCOCC1
CC(C)c1cc(C(=O)NOCc2ccccc2)c2ccccc2n1 c1ccc(cc1)C[*:1] CC(C)c1cc(C(=O)NO[*:1])c2ccccc2n1
CC(C)c1cc(C(=O)NOCc2ccccc2)c2ccccc2n1 c1ccc(cc1)[*:1] CC(C)c1cc(C(=O)NOC[*:1])c2ccccc2n1
CC(C)c1cc(C(=O)NOCc2ccccc2)c2ccccc2n1 CC(C)[*:1] O=C(NOCc1ccccc1)c1cc(nc2ccccc12)[*:1]
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)c1C Cc1cccc(c1C)[*:1] O=C1CCCc2cc(ccc2N1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC/[NH+]=C(/NC[C@@H](C)Cn1cccn1)N1CCC[C@@H](C)C1 c1cnn(c1)[*:1] CC/[NH+]=C(/NC[C@@H](C)C[*:1])N1CCC[C@@H](C)C1
CC/[NH+]=C(/NC[C@@H](C)Cn1cccn1)N1CCC[C@@H](C)C1 c1cnn(c1)C[*:1] CC/[NH+]=C(/NC[C@@H](C)[*:1])N1CCC[C@@H](C)C1
COc1ccncc1NC(=O)[C@H](C)c1ccc(Br)s1 Brc1ccc(s1)[*:1] COc1ccncc1NC(=O)[C@H](C)[*:1]
CNC(=O)Cn1cc(OCc2ccccc2F)c(=O)cc1CO CNC(=O)C[*:1] O=c1cc(CO)n(cc1OCc1ccccc1F)[*:1]
CNC(=O)Cn1cc(OCc2ccccc2F)c(=O)cc1CO Fc1ccccc1[*:1] CNC(=O)Cn1cc(OC[*:1])c(=O)cc1CO
CNC(=O)Cn1cc(OCc2ccccc2F)c(=O)cc1CO CNC(=O)[*:1] O=c1cc(CO)n(cc1OCc1ccccc1F)C[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cc(F)c(C)cc2F)cc1 COc1ccc(cc1)[*:1] Cc1cc(F)c(cc1F)C(=O)N[C@H](C)[C@H](O)[*:1]
C[C@H](CN1CCOCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 C1CN(CCO1)[*:1] C[C@H](C[*:1])N1CCN(CC1)C(=O)c1cccc(F)c1
C[C@H](CN1CCOCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] C[C@H](CN1CCOCC1)N1CCN(CC1)C(=O)[*:1]
C[C@H](CN1CCOCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 C1CN(CCO1)C[*:1] C[C@H](N1CCN(CC1)C(=O)c1cccc(F)c1)[*:1]
N[C@@H](c1ccc(C2CC2)cc1)c1nccs1 c1csc(n1)[*:1] N[C@@H](c1ccc(cc1)C1CC1)[*:1]
N[C@@H](c1ccc(C2CC2)cc1)c1nccs1 C1CC1[*:1] N[C@@H](c1ccc(cc1)[*:1])c1nccs1
C[C@@H]1CN(Cc2ccc(-n3cncn3)cc2)[C@H](c2ccccc2)CO1 c1ncn(n1)[*:1] C[C@@H]1CN(Cc2ccc(cc2)[*:1])[C@@H](CO1)c1ccccc1
C[C@@H]1CN(Cc2ccc(-n3cncn3)cc2)[C@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(Cc2ccc(cc2)-n2cncn2)[C@H](CO1)[*:1]
Cc1ccc(-c2ccsc2C(=O)N(CC(N)=O)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)N(CC(N)=O)C(=O)c1sccc1[*:1]
Cc1ccc(-c2ccsc2C(=O)N(CC(N)=O)C(C)C)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1ccsc1C(=O)N(C[*:1])C(C)C
Cc1ccc(-c2ccsc2C(=O)N(CC(N)=O)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1ccsc1C(=O)N(CC(N)=O)[*:1]
Cc1ccc(-c2ccsc2C(=O)N(CC(N)=O)C(C)C)cc1 NC(=O)C[*:1] Cc1ccc(cc1)-c1ccsc1C(=O)N(C(C)C)[*:1]
Cc1cccc(COc2ccccc2C(=O)[O-])n1 O=C([O-])[*:1] Cc1cccc(COc2ccccc2[*:1])n1
CN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 CC(C)(C)NC(=O)[*:1] CN(C[*:1])C(=O)c1cnn(-c2cccc(c2)C(F)(F)F)c1-n1cccc1
CN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 FC(F)(F)[*:1] CN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2cccc(c2)[*:1])c1-n1cccc1
CN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 CC(C)(C)NC(=O)C[*:1] CN(C(=O)c1cnn(-c2cccc(c2)C(F)(F)F)c1-n1cccc1)[*:1]
CN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 FC(F)(F)c1cccc(c1)[*:1] CN(CC(=O)NC(C)(C)C)C(=O)c1cnn(c1-n1cccc1)[*:1]
CN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 c1ccn(c1)[*:1] CN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2cccc(c2)C(F)(F)F)c1[*:1]
CN(CC(=O)NC(C)(C)C)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 CC(C)(C)[*:1] CN(CC(=O)N[*:1])C(=O)c1cnn(-c2cccc(c2)C(F)(F)F)c1-n1cccc1
CCCCCCn1cccc1[C@@H](C)O CCC[*:1] C[C@@H](O)c1cccn1CCC[*:1]
CCCCCCn1cccc1[C@@H](C)O CCCC[*:1] C[C@@H](O)c1cccn1CC[*:1]
CCCCCCn1cccc1[C@@H](C)O C[C@@H](O)[*:1] CCCCCCn1cccc1[*:1]
N#C[C@@H]1CNCCN1Cc1nc(-c2ccccn2)no1 c1ccc(nc1)[*:1] N#C[C@@H]1CNCCN1Cc1nc(no1)[*:1]
CCn1cc(/C=C2/Oc3c(ccc(OCC(N)=O)c3C)C2=O)c2cc(OC)ccc21 NC(=O)C[*:1] CCn1cc(/C=C2/Oc3c(ccc(O[*:1])c3C)C2=O)c2cc(ccc21)OC
CCn1cc(/C=C2/Oc3c(ccc(OCC(N)=O)c3C)C2=O)c2cc(OC)ccc21 NC(=O)[*:1] CCn1cc(/C=C2/Oc3c(ccc(OC[*:1])c3C)C2=O)c2cc(ccc21)OC
CCn1cc(/C=C2/Oc3c(ccc(OCC(N)=O)c3C)C2=O)c2cc(OC)ccc21 NC(=O)CO[*:1] CCn1cc(/C=C2/Oc3c(ccc(c3C)[*:1])C2=O)c2cc(ccc21)OC
Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)-n1ccnc1SCC(=O)N1CCN(CC1)S(=O)(=O)C[*:1]
Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nccn1[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)-n1ccnc1SCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccsc2)cc1OC c1cc(cs1)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccsc2)cc1OC COc1ccc(cc1OC)[*:1] O=C1C[C@H](CC2Nc3ccccc3N[C@H](C=21)c1ccsc1)[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@@H]1CCC1CCCCC1 C1CO[C@@H](C1)[*:1] O=C(c1cnc(s1)[*:1])N1CCC[C@@H]1CCC1CCCCC1
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@@H]1CCC1CCCCC1 C1CCC(CC1)CC[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC[C@H]1[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@@H]1CCC1CCCCC1 C1CCC(CC1)C[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC[C@@H]1C[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@@H]1CCC1CCCCC1 C1CCC(CC1)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC[C@@H]1CC[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)C[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)[*:1]
Cc1cc([N+](=O)[O-])c(-c2ccc(C(=O)[O-])o2)cc1Cl O=[N+]([O-])[*:1] Cc1cc(c(cc1Cl)-c1ccc(o1)C(=O)[O-])[*:1]
Cc1cc([N+](=O)[O-])c(-c2ccc(C(=O)[O-])o2)cc1Cl O=C([O-])[*:1] Cc1cc(c(cc1Cl)-c1ccc(o1)[*:1])[N+](=O)[O-]
O=S(=O)(CCCC(F)(F)F)/N=C(\[O-])C=C1CCSCC1 FC(F)(F)CC[*:1] O=S(=O)(C[*:1])/N=C(\[O-])C=C1CCSCC1
O=S(=O)(CCCC(F)(F)F)/N=C(\[O-])C=C1CCSCC1 FC(F)(F)C[*:1] O=S(=O)(CC[*:1])/N=C(\[O-])C=C1CCSCC1
O=S(=O)(CCCC(F)(F)F)/N=C(\[O-])C=C1CCSCC1 FC(F)(F)[*:1] O=S(=O)(CCC[*:1])/N=C(\[O-])C=C1CCSCC1
C[C@H](C(N)=O)S(=O)(=O)Cc1ccc(F)cc1 NC(=O)[*:1] C[C@H](S(=O)(=O)Cc1ccc(F)cc1)[*:1]
C[C@H](C(N)=O)S(=O)(=O)Cc1ccc(F)cc1 C[C@H](C(N)=O)[*:1] O=S(=O)(Cc1ccc(F)cc1)[*:1]
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H](C)n1c(=O)oc2ccccc21 CC(C)c1ccccc1[*:1] C[C@@H](C(=O)NNC(=S)N[*:1])n1c(=O)oc2ccccc21
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H](C)n1c(=O)oc2ccccc21 CC(C)[*:1] C[C@@H](C(=O)NNC(=S)Nc1ccccc1[*:1])n1c(=O)oc2ccccc21
COc1cccc(S(=O)(=O)CC(=O)N[C@@H](C)c2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1cccc(c1)S(=O)(=O)CC(=O)N[C@@H](C)[*:1]
COc1cccc(S(=O)(=O)CC(=O)N[C@@H](C)c2ccccc2Cl)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)CS(=O)(=O)[*:1])c1ccccc1Cl
NC(=O)CN1C(=O)[C@]2(CCN(c3ccc4cc[nH]c4n3)C2)c2ccccc21 c1cc2ccc(nc2[nH]1)[*:1] NC(=O)CN1C(=O)[C@]2(CCN(C2)[*:1])c2ccccc21
NC(=O)CN1C(=O)[C@]2(CCN(c3ccc4cc[nH]c4n3)C2)c2ccccc21 NC(=O)C[*:1] O=C1N(c2ccccc2[C@@]12CCN(C2)c1ccc2cc[nH]c2n1)[*:1]
NC(=O)CN1C(=O)[C@]2(CCN(c3ccc4cc[nH]c4n3)C2)c2ccccc21 NC(=O)[*:1] O=C1N(C[*:1])c2ccccc2[C@@]12CCN(C2)c1ccc2cc[nH]c2n1
COC[C@@H](C)NC(=O)COc1ccc(C)nc1C[NH3+] COC[C@@H](C)[*:1] Cc1ccc(OCC(=O)N[*:1])c(C[NH3+])n1
COC[C@@H](C)NC(=O)COc1ccc(C)nc1C[NH3+] COC[*:1] Cc1ccc(OCC(=O)N[C@H](C)[*:1])c(C[NH3+])n1
COCCOC(=O)N1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 COC[*:1] Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(C1)C(=O)OC[*:1]
COCCOC(=O)N1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 COCC[*:1] Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCCN(C1)C(=O)O[*:1]
CN(C)c1nc(CNc2c(F)cc(F)cc2F)ns1 CN(C)[*:1] Fc1cc(F)c(NCc2nsc(n2)[*:1])c(F)c1
O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1nncs1 c1nnc(s1)[*:1] O=C(CCC(=O)c1ccc2OCCCOc2c1)N[*:1]
Cc1nn(C)c(C[C@@H]([NH3+])CCC(F)(F)F)c1Br FC(F)(F)C[*:1] Cc1nn(C)c(C[C@@H]([NH3+])C[*:1])c1Br
Cc1nn(C)c(C[C@@H]([NH3+])CCC(F)(F)F)c1Br FC(F)(F)[*:1] Cc1nn(C)c(C[C@@H]([NH3+])CC[*:1])c1Br
O=C(Cc1ccc(Br)s1)NCC(=O)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(Cc1ccc(Br)s1)NCC(=O)N[*:1]
O=C(Cc1ccc(Br)s1)NCC(=O)Nc1cn[nH]c1 Brc1ccc(s1)[*:1] O=C(C[*:1])NCC(=O)Nc1cn[nH]c1
CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O CC(C)c1ccc(cc1)[*:1] CC(C)Cn1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O CC(C)C[*:1] CC(C)c1ccc(cc1)NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O CC(C)[*:1] CC(C)c1ccc(cc1)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O CC(C)[*:1] CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(cc2)[*:1])c1=O
COC(=O)COc1ccc(NC(=O)/C=C/c2nc3ccccc3s2)c(C)c1 COC(=O)[*:1] Cc1cc(ccc1NC(=O)/C=C/c1nc2ccccc2s1)OC[*:1]
COC(=O)COc1ccc(NC(=O)/C=C/c2nc3ccccc3s2)c(C)c1 COC(=O)CO[*:1] Cc1cc(ccc1NC(=O)/C=C/c1nc2ccccc2s1)[*:1]
COC(=O)COc1ccc(NC(=O)/C=C/c2nc3ccccc3s2)c(C)c1 c1ccc2sc(nc2c1)[*:1] COC(=O)COc1ccc(NC(=O)C=C[*:1])c(C)c1
COC(=O)COc1ccc(NC(=O)/C=C/c2nc3ccccc3s2)c(C)c1 COC(=O)C[*:1] Cc1cc(ccc1NC(=O)/C=C/c1nc2ccccc2s1)O[*:1]
Cc1cc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)no1 Cc1cc(no1)[*:1] O=C(CCn1nc(c(Br)c1C1CC1)C(F)(F)F)N[*:1]
Cc1cc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)no1 FC(F)(F)[*:1] Cc1cc(no1)NC(=O)CCn1nc(c(Br)c1C1CC1)[*:1]
Cc1cc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)no1 C1CC1[*:1] Cc1cc(no1)NC(=O)CCn1nc(c(Br)c1[*:1])C(F)(F)F
Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCCN(c2ncccn2)C1 Cc1ccsc1[*:1] C[C@@H]([NH2+]C[C@@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C1)[*:1]
O=C([O-])COc1nc(-c2cccnc2)nc2c1CCCC2 O=C([O-])CO[*:1] c1cncc(c1)-c1nc2CCCCc2c(n1)[*:1]
O=C([O-])COc1nc(-c2cccnc2)nc2c1CCCC2 O=C([O-])[*:1] c1cncc(c1)-c1nc2CCCCc2c(n1)OC[*:1]
O=C([O-])COc1nc(-c2cccnc2)nc2c1CCCC2 O=C([O-])C[*:1] c1cncc(c1)-c1nc2CCCCc2c(n1)O[*:1]
O=C([O-])COc1nc(-c2cccnc2)nc2c1CCCC2 c1cncc(c1)[*:1] O=C([O-])COc1nc(nc2CCCCc21)[*:1]
CC(C)[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)[NH2+][C@@H]1CCN(C1)C(=O)OC[*:1]
CC(C)[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 CC(C)[*:1] O=C(OCc1ccccc1)N1CC[C@H](C1)[NH2+][*:1]
COc1ccc(-n2nc(C(=O)N[C@H]3CCCCC[C@H]3CO)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)N[C@H]1CCCCC[C@H]1CO
Cc1ccsc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1ccsc1C(=O)NC1CC[NH+](CC1)[*:1]
Cc1ccsc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 Cc1ccsc1[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)[*:1]
Cc1ccsc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccsc1C(=O)NC1CC[NH+](CC1)C[*:1]
CC(C)N/C([O-])=C(\C#N)C(=O)CC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(C)N/C([O-])=C(\C#N)C(=O)CC[*:1]
CC(C)N/C([O-])=C(\C#N)C(=O)CC[C@H]1CCCO1 CC(C)[*:1] N#C/C(C(=O)CC[C@H]1CCCO1)=C(/[O-])N[*:1]
CC(C)N/C([O-])=C(\C#N)C(=O)CC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC(C)N/C([O-])=C(\C#N)C(=O)C[*:1]
CC(C)N/C([O-])=C(\C#N)C(=O)CC[C@H]1CCCO1 CC(C)N[*:1] N#C/C(C(=O)CC[C@H]1CCCO1)=C(/[O-])[*:1]
CC(C)(C)c1csc(CSc2nnnn2CCO)n1 CC(C)(C)[*:1] OCCn1nnnc1SCc1nc(cs1)[*:1]
CC(C)(C)c1csc(CSc2nnnn2CCO)n1 OCC[*:1] CC(C)(C)c1csc(CSc2nnnn2[*:1])n1
CCC[C@H]1CN(C(=O)CCNC(=O)/C=C/c2ccco2)CCO1 CCC[*:1] O=C(/C=C/c1ccco1)NCCC(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)CCNC(=O)/C=C/c2ccco2)CCO1 C(=C[*:1])c1ccco1 CCC[C@H]1CN(CCO1)C(=O)CCNC(=O)[*:1]
CCC[C@H]1CN(C(=O)CCNC(=O)/C=C/c2ccco2)CCO1 c1coc(c1)[*:1] CCC[C@H]1CN(CCO1)C(=O)CCNC(=O)C=C[*:1]
O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(CN2CCCC2=O)cc1 c1ccc2oc(nc2c1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)CN1CCCC1=O
O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(cc1)C[*:1]
O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(cc1)[*:1]
Cc1noc([C@@H](C)N2CCN(Cc3cn4c(C)cccc4[nH+]3)CC2)n1 Cc1noc(n1)[*:1] Cc1cccc2[nH+]c(cn12)CN1CCN(CC1)[C@H](C)[*:1]
Cc1noc([C@@H](C)N2CCN(Cc3cn4c(C)cccc4[nH+]3)CC2)n1 Cc1noc(n1)[C@@H](C)[*:1] Cc1cccc2[nH+]c(cn12)CN1CCN(CC1)[*:1]
CCOC(=O)N1CCC2(CC1)Oc1c(OCC)cccc1[C@H]1CC(c3cccs3)=NN12 c1csc(c1)[*:1] CCOC(=O)N1CCC2(CC1)Oc1c(cccc1[C@H]1CC(=NN12)[*:1])OCC
CCOC(=O)N1CCC2(CC1)Oc1c(OCC)cccc1[C@H]1CC(c3cccs3)=NN12 CCO[*:1] CCOC(=O)N1CCC2(CC1)Oc1c(cccc1[*:1])[C@H]1CC(=NN12)c1cccs1
COc1cc(/C(N)=N/OCc2ccc(Br)cc2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])/C(N)=N/OCc1ccc(Br)cc1
COc1cc(/C(N)=N/OCc2ccc(Br)cc2)ccc1OC(F)F Brc1ccc(cc1)[*:1] COc1cc(ccc1OC(F)F)/C(N)=N/OC[*:1]
COc1cc(/C(N)=N/OCc2ccc(Br)cc2)ccc1OC(F)F Brc1ccc(cc1)C[*:1] COc1cc(ccc1OC(F)F)/C(N)=N/O[*:1]
COc1cc(/C(N)=N/OCc2ccc(Br)cc2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])/C(N)=N/OCc1ccc(Br)cc1
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)CO[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC(CC1)[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] O=C(c1cnc(s1)[*:1])N1CCC(CC1)OC[C@H]1CCCO1
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC(CC1)O[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC(CC1)OC[*:1]
CC(C)c1ccccc1NC(=O)c1cccc(NC(=O)c2cnc3ccsc3c2)c1 c1cc2ncc(cc2s1)[*:1] CC(C)c1ccccc1NC(=O)c1cccc(c1)NC(=O)[*:1]
CC(C)c1ccccc1NC(=O)c1cccc(NC(=O)c2cnc3ccsc3c2)c1 CC(C)c1ccccc1[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])c1cnc2ccsc2c1
CC(C)c1ccccc1NC(=O)c1cccc(NC(=O)c2cnc3ccsc3c2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)C(=O)Nc1ccccc1[*:1])c1cnc2ccsc2c1
CC(=O)Nc1ccc(OC(=O)[C@H](NC(=O)c2cccs2)C(C)C)cc1 CC(=O)N[*:1] CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Oc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(OC(=O)[C@H](NC(=O)c2cccs2)C(C)C)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)OC(=O)[C@H](NC(=O)c1cccs1)[*:1]
CC(=O)Nc1ccc(OC(=O)[C@H](NC(=O)c2cccs2)C(C)C)cc1 c1csc(c1)[*:1] CC(=O)Nc1ccc(cc1)OC(=O)[C@H](NC(=O)[*:1])C(C)C
CC(=O)Nc1ccc(OC(=O)[C@H](NC(=O)c2cccs2)C(C)C)cc1 O=C(N[*:1])c1cccs1 CC(=O)Nc1ccc(cc1)OC(=O)[C@H](C(C)C)[*:1]
Cc1cccc(C2=CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)c1 Cc1cccc(c1)[*:1] O=C1C[C@H](C(=O)N2CC=C(CC2)[*:1])c2ccccc2N1
Cc1noc2nc(C(C)C)cc(C(=O)N(C)C(C)C)c12 CC(C)[*:1] Cc1noc2nc(cc(C(=O)N(C)C(C)C)c12)[*:1]
Cc1noc2nc(C(C)C)cc(C(=O)N(C)C(C)C)c12 CC(C)[*:1] Cc1noc2nc(cc(C(=O)N(C)[*:1])c12)C(C)C
CC[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1sc(C)c(C)c1C(N)=O NC(=O)[*:1] CC[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1sc(C)c(C)c1[*:1]
CC[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1sc(C)c(C)c1C(N)=O Cc1sc(c(C(N)=O)c1C)[*:1] CC[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)N[*:1]
COC(=O)[C@H](C)Nc1nc(C(F)(F)F)ccc1C(N)=S COC(=O)[C@H](C)[*:1] NC(=S)c1ccc(nc1N[*:1])C(F)(F)F
COC(=O)[C@H](C)Nc1nc(C(F)(F)F)ccc1C(N)=S NC(=S)[*:1] COC(=O)[C@H](C)Nc1nc(ccc1[*:1])C(F)(F)F
COC(=O)[C@H](C)Nc1nc(C(F)(F)F)ccc1C(N)=S COC(=O)[*:1] C[C@H](Nc1nc(ccc1C(N)=S)C(F)(F)F)[*:1]
COC(=O)[C@H](C)Nc1nc(C(F)(F)F)ccc1C(N)=S FC(F)(F)[*:1] COC(=O)[C@H](C)Nc1nc(ccc1C(N)=S)[*:1]
CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccccc2)ccc1C CCC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)OCC(=O)c1ccccc1
CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccccc2)ccc1C c1ccc(cc1)[*:1] CCC(=O)Nc1cc(ccc1C)C(=O)OCC(=O)[*:1]
CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccccc2)ccc1C O=C(c1ccccc1)[*:1] CCC(=O)Nc1cc(ccc1C)C(=O)OC[*:1]
CC[C@@H](C)N1C(=O)[C@](C)(C2CC2)NC(=O)C12CCCC2 CC[C@@H](C)[*:1] C[C@]1(NC(=O)C2(CCCC2)N(C1=O)[*:1])C1CC1
CC[C@@H](C)N1C(=O)[C@](C)(C2CC2)NC(=O)C12CCCC2 C1CC1[*:1] CC[C@@H](C)N1C(=O)[C@](C)(NC(=O)C12CCCC2)[*:1]
COc1ccc(/C=C(\C#N)C(=O)N(C)Cc2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(/C=C(\C#N)C(=O)N(C)C[*:1])cc1
COc1ccc(/C=C(\C#N)C(=O)N(C)Cc2ccc(F)cc2F)cc1 COc1ccc(cc1)[*:1] CN(Cc1ccc(F)cc1F)C(=O)C(C#N)=C[*:1]
O=C(c1cccc2c1NCCC2)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] O=C(c1cccc2CCCNc21)N1C[C@H](CO)[C@@H](C1)C[*:1]
O=C(c1cccc2c1NCCC2)N1C[C@H](CO)[C@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] O=C(c1cccc2CCCNc21)N1C[C@H](CO)[C@H](C1)[*:1]
CNC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCCC1 CNC(=O)[*:1] O=S(=O)(c1cc(Cl)sc1[*:1])N1CCCC1
O=C(Nc1cccc(-c2nnco2)c1)c1ccc(Br)nc1 c1nnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(Br)nc1
O=C(Nc1cccc(-c2nnco2)c1)c1ccc(Br)nc1 Brc1ccc(cn1)[*:1] O=C(Nc1cccc(c1)-c1nnco1)[*:1]
Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 c1ccc(cc1)O[*:1] Cc1c(oc2CCC/C(=N\NC(=O)C[*:1])c21)C(=O)N1c2ccccc2C[C@@H]1C
Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 c1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)CO[*:1])c21)C(=O)N1c2ccccc2C[C@@H]1C
Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 c1ccc(cc1)OC[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)N1c2ccccc2C[C@@H]1C
C[C@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(O)cc1 C[C@H](O)[*:1] O=C(c1ccc(O)cc1)N1CCCCC[C@@H]1C[*:1]
C[C@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(O)cc1 C[C@H](O)C[*:1] O=C(c1ccc(O)cc1)N1CCCCC[C@@H]1[*:1]
CN(Cc1ccco1)C(=O)C1=COCCO1 c1coc(c1)[*:1] CN(C[*:1])C(=O)C1=COCCO1
Cc1cccc(NC(=O)NCC(=O)N2C[C@H](C)OC[C@@H]2C)c1 Cc1cccc(c1)[*:1] C[C@H]1CN(C(=O)CNC(=O)N[*:1])[C@@H](C)CO1
C[C@@H]1CCCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 NS(=O)(=O)[*:1] C[C@@H]1CCCN(C1)C(=O)Nc1cc(ccc1Cl)[*:1]
COc1ccc([C@H](NC(=O)c2ccc3cc[nH]c3c2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](C1CCOCC1)[*:1])c1ccc2cc[nH]c2c1
COc1ccc([C@H](NC(=O)c2ccc3cc[nH]c3c2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1ccc2cc[nH]c2c1)[*:1]
COc1ccc([C@H](NC(=O)c2ccc3cc[nH]c3c2)C2CCOCC2)cc1 c1cc2ccc(cc2[nH]1)[*:1] COc1ccc(cc1)[C@H](NC(=O)[*:1])C1CCOCC1
CC[C@@H](C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] CC[C@@H](C)n1nccc1NS(=O)(=O)c1ccc(cc1F)[*:1]
CC[C@@H](C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F CC[C@@H](C)[*:1] O=[N+]([O-])c1ccc(c(F)c1)S(=O)(=O)Nc1ccnn1[*:1]
Cc1c(CC(=O)[O-])c(=O)oc2c(C)c3occ(-c4ccc5c(c4)OCCCO5)c3cc12 O=C([O-])[*:1] Cc1c(C[*:1])c(=O)oc2c(C)c3occ(-c4ccc5OCCCOc5c4)c3cc12
Cc1c(CC(=O)[O-])c(=O)oc2c(C)c3occ(-c4ccc5c(c4)OCCCO5)c3cc12 O=C([O-])C[*:1] Cc1c(c(=O)oc2c(C)c3occ(-c4ccc5OCCCOc5c4)c3cc12)[*:1]
C[C@H](C(=O)[O-])[C@@H](C)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](C(=O)[O-])[C@@H](C)Nc1ccccc1O[*:1]
C[C@H](C(=O)[O-])[C@@H](C)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](C(=O)[O-])[C@@H](C)Nc1ccccc1[*:1]
COc1cc([C@@H]2[NH+]=c3ccc(C(=O)[O-])cc3=[NH+]2)ccc1C O=C([O-])[*:1] COc1cc(ccc1C)[C@@H]1[NH+]=c2ccc(cc2=[NH+]1)[*:1]
COc1ccc2c(c1)[C@]1(CCC2)C[C@H]1C(=O)[O-] O=C([O-])[*:1] COc1ccc2CCC[C@]3(C[C@@H]3[*:1])c2c1
CCC[NH+]1CCC(NC(=O)/C=C/c2cnc(C(C)(C)C)s2)CC1 CC(C)(C)[*:1] CCC[NH+]1CCC(CC1)NC(=O)/C=C/c1cnc(s1)[*:1]
CCC[NH+]1CCC(NC(=O)/C=C/c2cnc(C(C)(C)C)s2)CC1 CCC[*:1] CC(C)(C)c1ncc(/C=C/C(=O)NC2CC[NH+](CC2)[*:1])s1
O=C(NCc1ccc(Oc2cccnc2)c(F)c1)Nc1cccc2cnccc12 c1cncc(c1)[*:1] O=C(NCc1ccc(O[*:1])c(F)c1)Nc1cccc2cnccc12
O=C(NCc1ccc(Oc2cccnc2)c(F)c1)Nc1cccc2cnccc12 c1cncc(c1)O[*:1] O=C(NCc1ccc(c(F)c1)[*:1])Nc1cccc2cnccc12
COC(=O)c1cc(CN(C)C(=O)N[C@@H]2C=C[C@H](CO)C2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CN(C)C(=O)N[C@@H]1C=C[C@H](CO)C1
CCOc1ccc(CC[n+]2cnc3sc4c(c3c2N)CCCCC4)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])CC[n+]1cnc2sc3CCCCCc3c2c1N
CCOc1ccc(CC[n+]2cnc3sc4c(c3c2N)CCCCC4)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])CC[n+]1cnc2sc3CCCCCc3c2c1N
CCOc1ccc(Oc2ccccc2NC(=O)[C@@H]2CN(CC)CCO2)cc1 CCO[*:1] CCN1CCO[C@@H](C1)C(=O)Nc1ccccc1Oc1ccc(cc1)[*:1]
CCOc1ccc(Oc2ccccc2NC(=O)[C@@H]2CN(CC)CCO2)cc1 CCOc1ccc(cc1)[*:1] CCN1CCO[C@@H](C1)C(=O)Nc1ccccc1O[*:1]
CC(=O)Nc1ccc(-n2c(/C=C\c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)-n1c(/C=C\c2ccc(cc2)[*:1])nc2ccccc2c1=O
CC(=O)Nc1ccc(-n2c(/C=C\c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 CC(=O)N[*:1] O=c1c2ccccc2nc(/C=C\c2ccc(cc2)[N+](=O)[O-])n1-c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(-n2c(/C=C\c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)-n1c(C=C[*:1])nc2ccccc2c1=O
CC(=O)Nc1ccc(-n2c(/C=C\c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=c1c2ccccc2nc(/C=C\c2ccc(cc2)[N+](=O)[O-])n1[*:1]
Cc1cccc(C)c1NC(=S)N(Cc1cccs1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1cccc(C)c1NC(=S)N(Cc1cccs1)C[*:1]
Cc1cccc(C)c1NC(=S)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)C[*:1] Cc1cccc(C)c1NC(=S)N(C[C@H]1CCCO1)[*:1]
Cc1cccc(C)c1NC(=S)N(Cc1cccs1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1cccc(C)c1NC(=S)N(Cc1cccs1)[*:1]
Cc1cccc(C)c1NC(=S)N(Cc1cccs1)C[C@H]1CCCO1 Cc1cccc(C)c1[*:1] S=C(N[*:1])N(Cc1cccs1)C[C@H]1CCCO1
Cc1cccc(C)c1NC(=S)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)[*:1] Cc1cccc(C)c1NC(=S)N(C[C@H]1CCCO1)C[*:1]
N=C1C2=C(c3ccco3)[C@H](c3ccco3)OC2=NC(=S)N1c1ccccc1 c1coc(c1)[*:1] N=C1C2C(=NC(=S)N1c1ccccc1)O[C@H](C=2[*:1])c1ccco1
N=C1C2=C(c3ccco3)[C@H](c3ccco3)OC2=NC(=S)N1c1ccccc1 c1coc(c1)[*:1] N=C1C2C(=NC(=S)N1c1ccccc1)O[C@@H](C=2c1ccco1)[*:1]
N=C1C2=C(c3ccco3)[C@H](c3ccco3)OC2=NC(=S)N1c1ccccc1 c1ccc(cc1)[*:1] N=C1C2C(=NC(=S)N1[*:1])O[C@H](C=2c1ccco1)c1ccco1
CCOC[C@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 CCOC[*:1] N#CCc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 N#CC[*:1] CCOC[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2ccc(CC#N)cc2)C1 CCO[*:1] N#CCc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)C[*:1]
C[C@@H](NC(=O)NCc1cc2ccccc2o1)c1nc(C2CCCCC2)no1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)NCc1cc2ccccc2o1)c1nc(no1)[*:1]
C[C@@H](NC(=O)NCc1cc2ccccc2o1)c1nc(C2CCCCC2)no1 c1ccc2oc(cc2c1)[*:1] C[C@@H](NC(=O)NC[*:1])c1nc(no1)C1CCCCC1
O=C([O-])COCCNC(=O)c1cnn(-c2ccccc2)c1 O=C([O-])C[*:1] O=C(NCCO[*:1])c1cnn(c1)-c1ccccc1
O=C([O-])COCCNC(=O)c1cnn(-c2ccccc2)c1 O=C([O-])COCC[*:1] O=C(N[*:1])c1cnn(c1)-c1ccccc1
O=C([O-])COCCNC(=O)c1cnn(-c2ccccc2)c1 O=C([O-])COC[*:1] O=C(NC[*:1])c1cnn(c1)-c1ccccc1
O=C([O-])COCCNC(=O)c1cnn(-c2ccccc2)c1 O=C([O-])CO[*:1] O=C(NCC[*:1])c1cnn(c1)-c1ccccc1
O=C([O-])COCCNC(=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C([O-])COCCNC(=O)c1cnn(c1)[*:1]
O=C([O-])COCCNC(=O)c1cnn(-c2ccccc2)c1 O=C([O-])[*:1] O=C(NCCOC[*:1])c1cnn(c1)-c1ccccc1
CC(=O)N[C@@H]1[C@@H](Sc2ccc([N+](=O)[O-])cc2)O[C@@H](CO)[C@@H](O)[C@@H]1O O=[N+]([O-])[*:1] CC(=O)N[C@@H]1[C@H](O[C@@H](CO)[C@@H](O)[C@@H]1O)Sc1ccc(cc1)[*:1]
CC(=O)N[C@@H]1[C@@H](Sc2ccc([N+](=O)[O-])cc2)O[C@@H](CO)[C@@H](O)[C@@H]1O CC(=O)N[*:1] O=[N+]([O-])c1ccc(cc1)S[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1[*:1]
COC(=O)c1cccc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] COC(=O)c1cccc(c1)O[C@H](C)C(=O)N1CCC(CC1)[*:1]
COC(=O)c1cccc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 COC(=O)[*:1] C[C@@H](Oc1cccc(c1)[*:1])C(=O)N1CCC(CC1)Cc1ccccc1
COC(=O)c1cccc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COC(=O)c1cccc(c1)O[C@H](C)C(=O)N1CCC(CC1)C[*:1]
CC[C@@H](C)C[C@@]1(CC)C[NH+]=C(N)N1C CC[C@@H](C)[*:1] CC[C@@]1(C[NH+]=C(N)N1C)C[*:1]
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 Cc1ccnc(c1)[*:1] CCOc1ccc(cc1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 CCO[*:1] Cc1ccnc(c1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccnc(c1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
CCOC(=O)CCC(=O)Nc1cnc2ccccc2c1 CCOC(=O)[*:1] O=C(CC[*:1])Nc1cnc2ccccc2c1
CCOC(=O)CCC(=O)Nc1cnc2ccccc2c1 CCOC(=O)C[*:1] O=C(C[*:1])Nc1cnc2ccccc2c1
Cc1cc(C)cc(Nc2ncnc(NNC(=O)c3ccccc3F)c2[N+](=O)[O-])c1 Cc1cc(C)cc(c1)[*:1] O=C(NNc1ncnc(N[*:1])c1[N+](=O)[O-])c1ccccc1F
Cc1cc(C)cc(Nc2ncnc(NNC(=O)c3ccccc3F)c2[N+](=O)[O-])c1 Cc1cc(C)cc(c1)N[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1ccccc1F
Cc1cc(C)cc(Nc2ncnc(NNC(=O)c3ccccc3F)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)Nc1ncnc(NNC(=O)c2ccccc2F)c1[*:1]
Cc1cc(C)cc(Nc2ncnc(NNC(=O)c3ccccc3F)c2[N+](=O)[O-])c1 Fc1ccccc1[*:1] Cc1cc(C)cc(c1)Nc1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-]
O=C(NCCN1CCOCC1)c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F FC(F)(F)[*:1] O=C(NCCN1CCOCC1)c1nn2c(N[C@H](C[C@@H]2[*:1])c2ccc(F)cc2)c1Cl
O=C(NCCN1CCOCC1)c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F C1CN(CCO1)[*:1] O=C(NCC[*:1])c1nn2c(N[C@H](C[C@H]2C(F)(F)F)c2ccc(F)cc2)c1Cl
O=C(NCCN1CCOCC1)c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F C1CN(CCO1)C[*:1] O=C(NC[*:1])c1nn2c(N[C@H](C[C@H]2C(F)(F)F)c2ccc(F)cc2)c1Cl
O=C(NCCN1CCOCC1)c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F C1CN(CCO1)CC[*:1] O=C(N[*:1])c1nn2c(N[C@H](C[C@H]2C(F)(F)F)c2ccc(F)cc2)c1Cl
O=C(NCCN1CCOCC1)c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F Fc1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)c1nn2c(N[C@@H](C[C@H]2C(F)(F)F)[*:1])c1Cl
Cc1nc2ccccn2c1C(=O)NCC1CC[NH+](Cc2ccsc2)CC1 c1cc(cs1)[*:1] Cc1nc2ccccn2c1C(=O)NCC1CC[NH+](CC1)C[*:1]
Cc1nc2ccccn2c1C(=O)NCC1CC[NH+](Cc2ccsc2)CC1 c1cc(cs1)C[*:1] Cc1nc2ccccn2c1C(=O)NCC1CC[NH+](CC1)[*:1]
CC(C)[C@H](C)N(C)c1cc([C@@H](C)N)cc[nH+]1 C[C@@H](N)[*:1] CC(C)[C@H](C)N(C)c1cc(cc[nH+]1)[*:1]
CC(C)[C@H](C)N(C)c1cc([C@@H](C)N)cc[nH+]1 CC(C)[C@H](C)[*:1] C[C@@H](N)c1cc[nH+]c(c1)N(C)[*:1]
CC(C)[C@H](C)N(C)c1cc([C@@H](C)N)cc[nH+]1 CC(C)[*:1] C[C@H](N(C)c1cc(cc[nH+]1)[C@@H](C)N)[*:1]
Cc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)C2=CCCC2)n1 Cc1cccc(n1)[*:1] O=C(C1=CCCC1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
COc1ccc(CN2CCN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2)cc1F COc1ccc(cc1F)[*:1] O=S(=O)(C1=Cc2ccccc2CC1)N1CCN(CC1)C[*:1]
CNC(=O)c1ccc(NCCCC(C)C)c([N+](=O)[O-])c1 CC(C)CCC[*:1] CNC(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
CNC(=O)c1ccc(NCCCC(C)C)c([N+](=O)[O-])c1 CC(C)C[*:1] CNC(=O)c1ccc(NCC[*:1])c(c1)[N+](=O)[O-]
CNC(=O)c1ccc(NCCCC(C)C)c([N+](=O)[O-])c1 CC(C)CC[*:1] CNC(=O)c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
CNC(=O)c1ccc(NCCCC(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(NCCCC(C)C)c(c1)[*:1]
CNC(=O)c1ccc(NCCCC(C)C)c([N+](=O)[O-])c1 CC(C)[*:1] CNC(=O)c1ccc(NCCC[*:1])c(c1)[N+](=O)[O-]
CNC(=O)c1ccc(NCCCC(C)C)c([N+](=O)[O-])c1 CNC(=O)[*:1] CC(C)CCCNc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](c3ccccn3)C(C)C)c2)n1 Cc1cc(C)n(n1)[*:1] CC(C)[C@H](NC(=O)c1cccc(c1)C[*:1])c1ccccn1
Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](c3ccccn3)C(C)C)c2)n1 CC(C)[*:1] Cc1cc(C)n(Cc2cccc(c2)C(=O)N[C@H](c2ccccn2)[*:1])n1
Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](c3ccccn3)C(C)C)c2)n1 Cc1cc(C)n(C[*:1])n1 CC(C)[C@H](NC(=O)c1cccc(c1)[*:1])c1ccccn1
Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](c3ccccn3)C(C)C)c2)n1 c1ccc(nc1)[*:1] Cc1cc(C)n(Cc2cccc(c2)C(=O)N[C@H](C(C)C)[*:1])n1
CCOC(=O)c1cc2cccc(Cl)c2nc1C(=O)OCC CCOC(=O)[*:1] CCOC(=O)c1cc2cccc(Cl)c2nc1[*:1]
CCOC(=O)c1cc2cccc(Cl)c2nc1C(=O)OCC CCOC(=O)[*:1] CCOC(=O)c1nc2c(Cl)cccc2cc1[*:1]
CC[C@H](C)n1ncc(C(=O)NCc2oc3ccc(F)cc3c2C)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)NCc2oc3ccc(F)cc3c2C)c1[*:1]
CC(C)COc1ccccc1NC(=O)NCCc1cc(F)cc2c1OCOC2 CC(C)C[*:1] O=C(NCCc1cc(F)cc2COCOc12)Nc1ccccc1O[*:1]
CC(C)COc1ccccc1NC(=O)NCCc1cc(F)cc2c1OCOC2 CC(C)[*:1] O=C(NCCc1cc(F)cc2COCOc12)Nc1ccccc1OC[*:1]
CC(C)COc1ccccc1NC(=O)NCCc1cc(F)cc2c1OCOC2 CC(C)CO[*:1] O=C(NCCc1cc(F)cc2COCOc12)Nc1ccccc1[*:1]
CNS(=O)(=O)c1ccc([C@H](C)Nc2nccn(CC(C)C)c2=O)cc1 CC(C)[*:1] CNS(=O)(=O)c1ccc(cc1)[C@H](C)Nc1nccn(C[*:1])c1=O
CNS(=O)(=O)c1ccc([C@H](C)Nc2nccn(CC(C)C)c2=O)cc1 CC(C)C[*:1] CNS(=O)(=O)c1ccc(cc1)[C@H](C)Nc1nccn(c1=O)[*:1]
CNS(=O)(=O)c1ccc([C@H](C)Nc2nccn(CC(C)C)c2=O)cc1 CNS(=O)(=O)[*:1] CC(C)Cn1ccnc(N[C@@H](C)c2ccc(cc2)[*:1])c1=O
CCOC(=O)C1(NCC[NH+]2CCCC2)CCCC1 CCOC(=O)[*:1] C1CC[NH+](C1)CCNC1(CCCC1)[*:1]
CC(C)NC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 CC(C)NC(=O)[*:1] Cn1c([nH+]c2ccccc21)N1CCC[C@@H](C1)[*:1]
CC(C)NC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 CC(C)[*:1] Cn1c([nH+]c2ccccc21)N1CCC[C@@H](C1)C(=O)N[*:1]
NS(=O)(=O)c1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] NS(=O)(=O)c1ccc(cc1)CCNS(=O)(=O)[*:1]
NS(=O)(=O)c1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNS(=O)(=O)C[*:1]
NS(=O)(=O)c1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1 NS(=O)(=O)[*:1] O=S(=O)(Cc1ccccc1)NCCc1ccc(cc1)[*:1]
Cc1ccc(N(C)C2CCN(C(=O)c3ccncc3)CC2)n[nH+]1 c1cc(ccn1)[*:1] Cc1ccc(n[nH+]1)N(C)C1CCN(CC1)C(=O)[*:1]
CC(C)(O)CC[NH2+][C@H](CO)c1ccccc1 CC(C)(O)C[*:1] OC[C@@H]([NH2+]C[*:1])c1ccccc1
CC(C)(O)CC[NH2+][C@H](CO)c1ccccc1 CC(C)(O)[*:1] OC[C@@H]([NH2+]CC[*:1])c1ccccc1
Cc1ccccc1N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 O=C(NC1CCCC1)[*:1] Cc1ccccc1N1CCN(CC1)CC(=O)Nc1ccccc1[*:1]
Cc1ccccc1N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 Cc1ccccc1[*:1] O=C(CN1CCN(CC1)[*:1])Nc1ccccc1C(=O)NC1CCCC1
Cc1ccccc1N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 C1CCC(C1)[*:1] Cc1ccccc1N1CCN(CC1)CC(=O)Nc1ccccc1C(=O)N[*:1]
CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)[*:1]
CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccco1)[*:1]
CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 C1CCC(C1)[*:1] CC(=O)Nc1ccc(cc1)N(C(=O)c1ccco1)[C@@H](C(=O)N[*:1])c1ccc(Cl)cc1
CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 c1coc(c1)[*:1] CC(=O)Nc1ccc(cc1)N(C(=O)[*:1])[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1
CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 O=C(NC1CCCC1)[*:1] CC(=O)Nc1ccc(cc1)N(C(=O)c1ccco1)[C@@H](c1ccc(Cl)cc1)[*:1]
CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1 CC(=O)N[*:1] O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccco1)c1ccc(cc1)[*:1]
Cc1nc(S(=O)(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cn1C Cc1nc(cn1C)[*:1] O=C([O-])[C@@H]1CN(c2ccccc21)S(=O)(=O)[*:1]
Cc1nc(S(=O)(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cn1C O=C([O-])[*:1] Cc1nc(cn1C)S(=O)(=O)N1C[C@@H](c2ccccc21)[*:1]
O=C1CN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)CCN1 c1ccc(cc1)O[*:1] O=C1CN(CCN1)S(=O)(=O)c1cccc(c1)C(=O)NCC[*:1]
O=C1CN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)CCN1 c1ccc(cc1)OC[*:1] O=C1CN(CCN1)S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
O=C1CN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)CCN1 c1ccc(cc1)OCC[*:1] O=C1CN(CCN1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
O=C1CN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)CCN1 c1ccc(cc1)[*:1] O=C1CN(CCN1)S(=O)(=O)c1cccc(c1)C(=O)NCCO[*:1]
CCOc1ncccc1C(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C CCO[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccnc2[*:1])c(C)c1
O=C(CCN1C(=O)CCC1=O)N[C@H](c1ccccc1)C1CCCC1 O=C1CCC(=O)N1[*:1] O=C(CC[*:1])N[C@H](c1ccccc1)C1CCCC1
O=C(CCN1C(=O)CCC1=O)N[C@H](c1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] O=C(CCN1C(=O)CCC1=O)N[C@H](C1CCCC1)[*:1]
O=C(CCN1C(=O)CCC1=O)N[C@H](c1ccccc1)C1CCCC1 O=C1CCC(=O)N1C[*:1] O=C(C[*:1])N[C@H](c1ccccc1)C1CCCC1
O=C(CCN1C(=O)CCC1=O)N[C@H](c1ccccc1)C1CCCC1 C1CCC(C1)[*:1] O=C(CCN1C(=O)CCC1=O)N[C@H](c1ccccc1)[*:1]
COc1ccc(NC(=O)CNc2ccc(F)c(-n3nnnc3C)c2)cc1 COc1ccc(cc1)[*:1] Cc1nnnn1-c1cc(ccc1F)NCC(=O)N[*:1]
COc1ccc(NC(=O)CNc2ccc(F)c(-n3nnnc3C)c2)cc1 Cc1nnnn1[*:1] COc1ccc(cc1)NC(=O)CNc1ccc(F)c(c1)[*:1]
N#Cc1cc(C(F)(F)F)ccc1NC[C@@H]1CN2CCCC[C@@H]2CO1 FC(F)(F)[*:1] N#Cc1cc(ccc1NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
NC(=O)[C@H]1CCC[C@H](NC(=O)C[C@H](O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] NC(=O)[C@H]1CCC[C@@H](C1)NC(=O)C[C@H](O)[*:1]
NC(=O)[C@H]1CCC[C@H](NC(=O)C[C@H](O)c2cccc(F)c2)C1 NC(=O)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N[C@H]1CCC[C@@H](C1)[*:1]
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] Cn1cc(cc1C(=O)N1CCC[C@@H](C1)[*:1])[N+](=O)[O-]
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 O=[N+]([O-])[*:1] Cn1cc(cc1C(=O)N1CCC[C@H](C1)C(=O)[O-])[*:1]
Cc1cccc(N2C[C@@H](C(=O)NNc3ccccc3)CC2=O)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)NN[*:1]
Cc1cccc(N2C[C@@H](C(=O)NNc3ccccc3)CC2=O)c1C Cc1cccc(c1C)[*:1] O=C(NNc1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
CCCC[C@@H]([NH3+])c1ccnn1CCC CCC[*:1] CCCn1nccc1[C@H]([NH3+])C[*:1]
CCCC[C@@H]([NH3+])c1ccnn1CCC CCCC[*:1] CCCn1nccc1[C@H]([NH3+])[*:1]
CCCC[C@@H]([NH3+])c1ccnn1CCC CCC[*:1] CCCC[C@@H]([NH3+])c1ccnn1[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)C1(CCOCC1)c1ccccc1
CC[C@@H](Cc1ccccc1)NC(=O)C1(c2ccccc2)CCOCC1 c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)C1(CCOCC1)c1ccccc1)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] CC[C@@H](Cc1ccccc1)NC(=O)C1(CCOCC1)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 Clc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)[C@@H](C#N)c1ccc(cn1)C(F)(F)F
C[C@@H](Oc1ccccc1Cl)C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 Clc1ccccc1O[*:1] C[C@@H](C(=O)[C@@H](C#N)c1ccc(cn1)C(F)(F)F)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)[C@@H](C#N)c1ccc(cn1)[*:1]
CCCCc1ccc(N(C)C(=O)c2ccc[nH]2)cc1 CCC[*:1] CN(C(=O)c1ccc[nH]1)c1ccc(cc1)C[*:1]
CCCCc1ccc(N(C)C(=O)c2ccc[nH]2)cc1 c1c[nH]c(c1)[*:1] CCCCc1ccc(cc1)N(C)C(=O)[*:1]
CCCCc1ccc(N(C)C(=O)c2ccc[nH]2)cc1 CCCC[*:1] CN(C(=O)c1ccc[nH]1)c1ccc(cc1)[*:1]
CCc1nc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)no1 CCc1nc(no1)[*:1] N#Cc1ccc(nc1N1CCC[C@H]1[*:1])C(F)(F)F
CCc1nc([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)no1 FC(F)(F)[*:1] CCc1nc(no1)[C@@H]1CCCN1c1nc(ccc1C#N)[*:1]
O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1Br)NNC(=O)[*:1]
O=S(=O)(c1cccs1)N1CCC(n2cc(C3CC3)nn2)CC1 C1CC1[*:1] O=S(=O)(c1cccs1)N1CCC(CC1)n1cc(nn1)[*:1]
O=S(=O)(c1cccs1)N1CCC(n2cc(C3CC3)nn2)CC1 c1csc(c1)[*:1] O=S(=O)(N1CCC(CC1)n1cc(nn1)C1CC1)[*:1]
CN(c1cccnn1)C1CC[NH+](C2CCCC2)CC1 c1cnnc(c1)[*:1] CN(C1CC[NH+](CC1)C1CCCC1)[*:1]
CN(c1cccnn1)C1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] CN(c1cccnn1)C1CC[NH+](CC1)[*:1]
COc1ccc(-n2nc(C(=O)NC[C@@]3(CCO)CCOC3)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)NC[C@@]1(CCO)CCOC1
COc1ccc(-n2nc(C(=O)NC[C@@]3(CCO)CCOC3)cc2C)cc1 OCC[*:1] COc1ccc(cc1)-n1nc(cc1C)C(=O)NC[C@]1(CCOC1)[*:1]
CC[C@H](C)[C@@H](CBr)Cc1ccc(OC)cc1 CC[C@H](C)[*:1] COc1ccc(cc1)C[C@H](CBr)[*:1]
CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 O=c1[nH]c(nc2ccccc12)[*:1] CCn1c(nc2cc(ccc21)S(=O)(=O)N1CCOCC1)S[C@@H](C)[*:1]
CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 O=S(=O)(N1CCOCC1)[*:1] CCn1c(nc2cc(ccc21)[*:1])S[C@@H](C)c1nc2ccccc2c(=O)[nH]1
COC(=O)c1[nH]/c(=N/C(=O)c2c(C)noc2C)sc1Cc1ccccc1 Cc1noc(C)c1[*:1] COC(=O)c1[nH]/c(=N/C(=O)[*:1])sc1Cc1ccccc1
COC(=O)c1[nH]/c(=N/C(=O)c2c(C)noc2C)sc1Cc1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1[nH]/c(=N/C(=O)c2c(C)noc2C)sc1C[*:1]
COC(=O)c1[nH]/c(=N/C(=O)c2c(C)noc2C)sc1Cc1ccccc1 COC(=O)[*:1] Cc1noc(C)c1C(=O)/N=c1/[nH]c(c(Cc2ccccc2)s1)[*:1]
COC(=O)c1[nH]/c(=N/C(=O)c2c(C)noc2C)sc1Cc1ccccc1 c1ccc(cc1)C[*:1] COC(=O)c1[nH]/c(=N/C(=O)c2c(C)noc2C)sc1[*:1]
O=C(NC[C@H](O)c1cccc(OC(F)F)c1)Nc1nnc2ccccn12 FC(F)[*:1] O=C(NC[C@H](O)c1cccc(c1)O[*:1])Nc1nnc2ccccn12
O=C(NC[C@H](O)c1cccc(OC(F)F)c1)Nc1nnc2ccccn12 FC(F)O[*:1] O=C(NC[C@H](O)c1cccc(c1)[*:1])Nc1nnc2ccccn12
O=[N+]([O-])c1cc(Br)c(O)c(Cc2ccccc2)c1 O=[N+]([O-])[*:1] Oc1c(Br)cc(cc1Cc1ccccc1)[*:1]
O=[N+]([O-])c1cc(Br)c(O)c(Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(Br)c(O)c(c1)C[*:1]
C[C@@H](NC(=O)[C@@](C)(N)C(F)(F)F)c1cccc(F)c1 FC(F)(F)[*:1] C[C@@H](NC(=O)[C@@](C)(N)[*:1])c1cccc(F)c1
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(C[C@@H]1CCCO1)C3=O C1CO[C@@H](C1)C[*:1] Cc1cc2oc3C(=O)N([C@H](c4cccc(Cl)c4)c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(C[C@@H]1CCCO1)C3=O Clc1cccc(c1)[*:1] Cc1cc2oc3C(=O)N(C[C@@H]4CCCO4)[C@H](c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(C[C@@H]1CCCO1)C3=O C1CO[C@@H](C1)[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@H](c4cccc(Cl)c4)c3c(=O)c2cc1C
Cc1n[nH]c(-c2cccc(CNC(=O)CSc3nncn3C)c2)n1 Cc1n[nH]c(n1)[*:1] Cn1cnnc1SCC(=O)NCc1cccc(c1)[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)CSc3nncn3C)c2)n1 Cn1cnnc1S[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)C[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)CSc3nncn3C)c2)n1 Cn1cnnc1SC[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)[*:1]
Cc1n[nH]c(-c2cccc(CNC(=O)CSc3nncn3C)c2)n1 Cn1cnnc1[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNC(=O)CS[*:1]
Cc1ccc(O[C@H](C)C(=O)NC2CCCC2)c(CC[NH3+])n1 C1CCC(C1)[*:1] Cc1ccc(O[C@H](C)C(=O)N[*:1])c(CC[NH3+])n1
CC[C@@H](NC(=O)CNC(=O)NC)c1cccc([N+](=O)[O-])c1 CNC(=O)N[*:1] CC[C@@H](NC(=O)C[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@@H](NC(=O)CNC(=O)NC)c1cccc([N+](=O)[O-])c1 CNC(=O)NC[*:1] CC[C@@H](NC(=O)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@@H](NC(=O)CNC(=O)NC)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](NC(=O)CNC(=O)NC)c1cccc(c1)[*:1]
O=C(O[C@@H]1CCc2ccccc2C1)C1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] O=C(O[C@@H]1CCc2ccccc2C1)C1CCN(CC1)[*:1]
C=CCNC(=S)Nc1cc(C)nc2ccccc12 C=CC[*:1] Cc1cc(NC(=S)N[*:1])c2ccccc2n1
Cc1cc(CN(C)C(=O)NCCOc2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] Cc1cc(CN(C)C(=O)NCCOc2cccc(c2)[*:1])no1
Cc1cc(CN(C)C(=O)NCCOc2cccc(C(F)(F)F)c2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)NCCOc1cccc(c1)C(F)(F)F
Cc1cc(CN(C)C(=O)NCCOc2cccc(C(F)(F)F)c2)no1 Cc1cc(C[*:1])no1 CN(C(=O)NCCOc1cccc(c1)C(F)(F)F)[*:1]
CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 CC(=O)[*:1] O=S(=O)([N-]c1cc(on1)-c1ccccc1)c1cccc(c1)[*:1]
CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)[N-]c1cc(on1)[*:1]
COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(O)cc1 COc1ccccc1[*:1] CC1Nc2nc3ccccc3n2[C@H](C=1C(=O)N[*:1])c1ccc(O)cc1
COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1[*:1]
Cc1c(C)c2ccc(NC(=O)c3ccccc3Br)cc2[nH]c1=O Brc1ccccc1[*:1] Cc1c(C)c2ccc(cc2[nH]c1=O)NC(=O)[*:1]
COCCNC(=O)c1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COCCNC(=O)c1cccc(c1)NC(=O)C=C[*:1]
COCCNC(=O)c1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1 COCC[*:1] Cc1ccc(/C=C/C(=O)Nc2cccc(c2)C(=O)N[*:1])cc1
COCCNC(=O)c1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1 COCCNC(=O)[*:1] Cc1ccc(/C=C/C(=O)Nc2cccc(c2)[*:1])cc1
COCCNC(=O)c1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1 COC[*:1] Cc1ccc(/C=C/C(=O)Nc2cccc(c2)C(=O)NC[*:1])cc1
COc1ccc([C@H](NC(=O)NC[C@](C)(O)c2ccc(C)o2)C(C)C)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)[C@H](NC(=O)NC[C@](C)(O)[*:1])C(C)C
COc1ccc([C@H](NC(=O)NC[C@](C)(O)c2ccc(C)o2)C(C)C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(o1)[C@@](C)(O)CNC(=O)N[C@H](C(C)C)[*:1]
COc1ccc([C@H](NC(=O)NC[C@](C)(O)c2ccc(C)o2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](NC(=O)NC[C@](C)(O)c1ccc(C)o1)[*:1]
CNc1cc(C)ccc1C(=O)N(C)C1CCCC1 C1CCC(C1)[*:1] CNc1cc(C)ccc1C(=O)N(C)[*:1]
Fc1ccc(Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 Fc1ccc(cc1)[*:1] c1cc2OCOc2cc1-c1csc(n1)N[*:1]
CNc1cc(C(=O)N2CCCC[C@H]2CCc2ccccc2)cc(Cl)n1 c1ccc(cc1)C[*:1] CNc1cc(cc(Cl)n1)C(=O)N1CCCC[C@H]1C[*:1]
CNc1cc(C(=O)N2CCCC[C@H]2CCc2ccccc2)cc(Cl)n1 c1ccc(cc1)CC[*:1] CNc1cc(cc(Cl)n1)C(=O)N1CCCC[C@@H]1[*:1]
CNc1cc(C(=O)N2CCCC[C@H]2CCc2ccccc2)cc(Cl)n1 c1ccc(cc1)[*:1] CNc1cc(cc(Cl)n1)C(=O)N1CCCC[C@H]1CC[*:1]
Cc1noc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)n1 Cc1noc(n1)[*:1] C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[*:1]
Cc1noc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] Cc1noc(CC[NH2+][C@@H](C)CC(=O)N[*:1])n1
Cc1noc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)n1 Cc1noc(C[*:1])n1 C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[*:1]
COc1ccc(CN(C)Cc2nc3ccc(Cl)cc3n2CCO)cc1 OCC[*:1] COc1ccc(cc1)CN(C)Cc1nc2ccc(Cl)cc2n1[*:1]
COc1ccc(CN(C)Cc2nc3ccc(Cl)cc3n2CCO)cc1 COc1ccc(cc1)[*:1] CN(Cc1nc2ccc(Cl)cc2n1CCO)C[*:1]
CN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O Clc1ccc(cc1Cl)[*:1] CNC(=N[*:1])S[C@H]1CC(=O)N(C1=O)c1ccc(F)cc1
CN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] CN/C(=N\c1ccc(Cl)c(Cl)c1)S[C@H]1CC(=O)N(C1=O)[*:1]
CC(=O)N(C)c1ccc(S(=O)(=O)N(C)c2cccc(C(C)C)c2)cc1 CC(=O)N(C)[*:1] CC(C)c1cccc(c1)N(C)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)N(C)c1ccc(S(=O)(=O)N(C)c2cccc(C(C)C)c2)cc1 CC(C)[*:1] CC(=O)N(C)c1ccc(cc1)S(=O)(=O)N(C)c1cccc(c1)[*:1]
CC[NH+](CC(C)(C)O)CC1(C[NH3+])CCC(C)CC1 CC(C)(O)C[*:1] CC[NH+](CC1(C[NH3+])CCC(C)CC1)[*:1]
CC[NH+](CC(C)(C)O)CC1(C[NH3+])CCC(C)CC1 CC(C)(O)[*:1] CC[NH+](CC1(C[NH3+])CCC(C)CC1)C[*:1]
CC(C)([C@@H]([NH3+])C1CC1)[NH+]1CCCC1 C1CC1[*:1] CC(C)([C@@H]([NH3+])[*:1])[NH+]1CCCC1
CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)N[*:1])S(=O)(=O)c1ccc(cc1)OC
CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)NC1CCCCC1 COc1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)NC1CCCCC1)S(=O)(=O)[*:1]
CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] CC[C@H]1CN(CC[C@H]1C[*:1])S(=O)(=O)c1ccc(cc1)OC
O=C(CSCC(F)(F)F)Nc1cnn(C[C@H]2CCCO2)c1 FC(F)(F)CSC[*:1] O=C(Nc1cnn(c1)C[C@H]1CCCO1)[*:1]
O=C(CSCC(F)(F)F)Nc1cnn(C[C@H]2CCCO2)c1 FC(F)(F)C[*:1] O=C(CS[*:1])Nc1cnn(c1)C[C@H]1CCCO1
O=C(CSCC(F)(F)F)Nc1cnn(C[C@H]2CCCO2)c1 FC(F)(F)CS[*:1] O=C(C[*:1])Nc1cnn(c1)C[C@H]1CCCO1
O=C(CSCC(F)(F)F)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] O=C(CSCC(F)(F)F)Nc1cnn(c1)C[*:1]
O=C(CSCC(F)(F)F)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] O=C(CSCC(F)(F)F)Nc1cnn(c1)[*:1]
O=C(CSCC(F)(F)F)Nc1cnn(C[C@H]2CCCO2)c1 FC(F)(F)[*:1] O=C(CSC[*:1])Nc1cnn(c1)C[C@H]1CCCO1
CCOC(=O)CS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccccc1 CCOC(=O)CS[*:1] c1ccc(cc1)N1C(=NN[C@@H]1[*:1])C1C[NH+]=c2ccccc2=1
CCOC(=O)CS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccccc1 CCOC(=O)[*:1] c1ccc(cc1)N1C(=NN[C@@H]1SC[*:1])C1C[NH+]=c2ccccc2=1
CCOC(=O)CS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)CS[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1[*:1]
CCOC(=O)CS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccccc1 CCOC(=O)C[*:1] c1ccc(cc1)N1C(=NN[C@@H]1S[*:1])C1C[NH+]=c2ccccc2=1
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cc(C)cc(C)c2)c1 Cc1cc(C)cc(c1)[*:1] CC(=O)Nc1cc(cc(c1)C(=O)N[*:1])NC(C)=O
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cc(C)cc(C)c2)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)Nc1cc(C)cc(C)c1
Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl Cn1cccc1[*:1] O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCCCC[C@H]1[*:1]
Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@H]1[*:1]
N#CCc1ccccc1C(=O)OCC(=O)NCc1cccs1 c1csc(c1)C[*:1] N#CCc1ccccc1C(=O)OCC(=O)N[*:1]
N#CCc1ccccc1C(=O)OCC(=O)NCc1cccs1 c1csc(c1)[*:1] N#CCc1ccccc1C(=O)OCC(=O)NC[*:1]
N#CCc1ccccc1C(=O)OCC(=O)NCc1cccs1 N#CC[*:1] O=C(COC(=O)c1ccccc1[*:1])NCc1cccs1
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)C2 CC(C)(C)[*:1] O=C([C@H]1CSc2nc(cc(=O)n2C1)[*:1])N(Cc1ccccc1)Cc1ccccc1
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)C2 c1ccc(cc1)[*:1] CC(C)(C)c1cc(=O)n2C[C@H](CSc2n1)C(=O)N(Cc1ccccc1)C[*:1]
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)C2 c1ccc(cc1)C[*:1] CC(C)(C)c1cc(=O)n2C[C@H](CSc2n1)C(=O)N(Cc1ccccc1)[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CN1CCN(CC1)C(=O)NC[C@H]1CCN(C1)[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2)c1 COc1ccc(OC)c(c1)[*:1] O=C(NC[C@H]1CCN(C1)c1ccccc1)N1CCN(CC1)C[*:1]
Cc1c(Br)cccc1NC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] Cc1c(Br)cccc1NC(=O)NCC(C)(C)[*:1]
CCCNc1ncnc(Nc2ccc(C(C)C)cc2)c1N CCCN[*:1] CC(C)c1ccc(cc1)Nc1ncnc(c1N)[*:1]
CCCNc1ncnc(Nc2ccc(C(C)C)cc2)c1N CCC[*:1] CC(C)c1ccc(cc1)Nc1ncnc(N[*:1])c1N
CCCNc1ncnc(Nc2ccc(C(C)C)cc2)c1N CC(C)[*:1] CCCNc1ncnc(Nc2ccc(cc2)[*:1])c1N
COC(=O)[C@H]1COCCN1C(=O)c1cccc(S(C)(=O)=O)c1 COC(=O)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N1CCOC[C@@H]1[*:1]
COC(=O)[C@H]1COCCN1C(=O)c1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] COC(=O)[C@H]1COCCN1C(=O)c1cccc(c1)[*:1]
CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccco1 c1coc(c1)[*:1] CC(C)(C)c1cc(Br)ccc1OCC(=O)NN=C[*:1]
CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccco1 CC(C)(C)[*:1] O=C(COc1ccc(Br)cc1[*:1])N/N=C/c1ccco1
CC(C)C(=O)c1nc2ccccc2s1 CC(C)[*:1] O=C(c1nc2ccccc2s1)[*:1]
CC(C)CCC[C@H](C)N1CC[C@H]([NH3+])[C@H](C)[C@H]1C CC(C)[*:1] C[C@H]1[C@@H]([NH3+])CCN([C@@H](C)CCC[*:1])[C@@H]1C
CC(C)CCC[C@H](C)N1CC[C@H]([NH3+])[C@H](C)[C@H]1C CC(C)C[*:1] C[C@H]1[C@@H]([NH3+])CCN([C@@H](C)CC[*:1])[C@@H]1C
CC(C)CCC[C@H](C)N1CC[C@H]([NH3+])[C@H](C)[C@H]1C CC(C)CC[*:1] C[C@H]1[C@@H]([NH3+])CCN([C@@H](C)C[*:1])[C@@H]1C
CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCNc1cc(C)[nH+]c(n1)NCCNC(=O)N[*:1]
CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2ccc(C)cc2)n1 CCN[*:1] Cc1ccc(cc1)NC(=O)NCCNc1nc(cc(C)[nH+]1)[*:1]
CCCCN(CC(N)=O)C(=O)c1cccc2[nH]ccc12 CCCC[*:1] NC(=O)CN(C(=O)c1cccc2[nH]ccc12)[*:1]
CCCCN(CC(N)=O)C(=O)c1cccc2[nH]ccc12 CCC[*:1] NC(=O)CN(C[*:1])C(=O)c1cccc2[nH]ccc12
CCCCN(CC(N)=O)C(=O)c1cccc2[nH]ccc12 NC(=O)[*:1] CCCCN(C[*:1])C(=O)c1cccc2[nH]ccc12
CCCCN(CC(N)=O)C(=O)c1cccc2[nH]ccc12 NC(=O)C[*:1] CCCCN(C(=O)c1cccc2[nH]ccc12)[*:1]
CCOC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2ccccc21 CCOC(=O)C[*:1] O=C(/N=c1\sc2ccccc2n1[*:1])c1ccc(o1)[N+](=O)[O-]
CCOC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2ccccc21 O=[N+]([O-])c1ccc(o1)[*:1] CCOC(=O)Cn1/c(=N/C(=O)[*:1])sc2ccccc21
CCOC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2ccccc21 O=[N+]([O-])[*:1] CCOC(=O)Cn1/c(=N/C(=O)c2ccc(o2)[*:1])sc2ccccc21
CCOC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2ccccc21 CCOC(=O)[*:1] O=C(/N=c1\sc2ccccc2n1C[*:1])c1ccc(o1)[N+](=O)[O-]
COC(=O)CNC(=O)c1csc(C#CCN)c1 NCC#C[*:1] COC(=O)CNC(=O)c1csc(c1)[*:1]
COC(=O)CNC(=O)c1csc(C#CCN)c1 COC(=O)C[*:1] NCC#Cc1cc(cs1)C(=O)N[*:1]
COC(=O)CNC(=O)c1csc(C#CCN)c1 COC(=O)[*:1] NCC#Cc1cc(cs1)C(=O)NC[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)c1ccc(C[NH3+])o1 CC(C)[*:1] C[C@H]1CC[C@@H]([C@@H](C1)NC(=O)c1ccc(C[NH3+])o1)[*:1]
COc1ccc(N(Cc2ccon2)S(=O)(=O)c2ccccc2)cc1 c1cc(C[*:1])no1 COc1ccc(cc1)N(S(=O)(=O)c1ccccc1)[*:1]
COc1ccc(N(Cc2ccon2)S(=O)(=O)c2ccccc2)cc1 c1cc(no1)[*:1] COc1ccc(cc1)N(C[*:1])S(=O)(=O)c1ccccc1
COc1ccc(N(Cc2ccon2)S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N(Cc1ccon1)S(=O)(=O)[*:1]
COc1ccc(N(Cc2ccon2)S(=O)(=O)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)N(Cc1ccon1)[*:1]
CN(Cc1ccc(C(=O)[O-])cn1)C1CC[NH+](C)CC1 O=C([O-])[*:1] CN(Cc1ccc(cn1)[*:1])C1CC[NH+](C)CC1
CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)[*:1]
CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccccc1NC(=O)c1cccc(Cl)c1)[*:1]
CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccccc1NC(=O)c1cccc(Cl)c1
COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 COc1cccc(c1)[*:1] O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NC[*:1]
COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)CCS(=O)(=O)[*:1]
CC1=Nc2ccccc2N=C2C[C@@H](c3ccccc3F)CC([O-])=C12 Fc1ccccc1[*:1] CC1=Nc2ccccc2N=C2C[C@@H](CC([O-])=C12)[*:1]
CC(=O)C[C@H]1CCCN1C(=O)NC(C)C CC(C)[*:1] CC(=O)C[C@H]1CCCN1C(=O)N[*:1]
CC(=O)C[C@H]1CCCN1C(=O)NC(C)C CC(=O)C[*:1] CC(C)NC(=O)N1CCC[C@@H]1[*:1]
CC(=O)C[C@H]1CCCN1C(=O)NC(C)C CC(=O)[*:1] CC(C)NC(=O)N1CCC[C@@H]1C[*:1]
CNC(=O)CS(=O)(=O)Cc1cc(Cl)ccc1OC CNC(=O)C[*:1] COc1ccc(Cl)cc1CS(=O)(=O)[*:1]
CNC(=O)CS(=O)(=O)Cc1cc(Cl)ccc1OC CNC(=O)[*:1] COc1ccc(Cl)cc1CS(=O)(=O)C[*:1]
C[C@@H](NC(=O)c1cn(C)nc1-c1ccccc1Cl)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](NC(=O)c1cn(C)nc1-c1ccccc1Cl)[*:1]
C[C@@H](NC(=O)c1cn(C)nc1-c1ccccc1Cl)c1cccc(C#N)c1 Clc1ccccc1[*:1] C[C@@H](NC(=O)c1cn(C)nc1[*:1])c1cccc(C#N)c1
[NH3+][C@H]1CCCN(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])C1 O=C([O-])[*:1] [NH3+][C@H]1CCCN(C1)C(=O)N[C@@H]1CCCCC[C@H]1[*:1]
CSc1nc(C)cc(C(=O)Nc2ccc(C(C)C)cc2)n1 CC(C)[*:1] CSc1nc(C)cc(n1)C(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(Nc1nc2-c3ccccc3Cc2s1)[*:1]
CCN(C)C(=O)CNc1ccc(C(C)C)cc1 CC(C)[*:1] CCN(C)C(=O)CNc1ccc(cc1)[*:1]
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2c[nH]c3ccccc3c2=O)C1 Fc1cccc(c1)[*:1] C[C@H]1C[C@@H](N(C1)C(=O)c1c[nH]c2ccccc2c1=O)[*:1]
CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCOC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCOC1)[*:1]
CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCOC1)c1ccccc1 CC(C)(C)[*:1] O=C(N[C@H](C[NH2+][C@H]1CCOC1)c1ccccc1)O[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)c1cc(on1)[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 c1ccc(cc1)-c1cc(no1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)[*:1])[C@H]1CCS(=O)(=O)C1
COC(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S[C@H]3CCCCCC3=O)nc2c1 COC(=O)[*:1] O=C1CCCCC[C@@H]1Sc1nc2cc(ccc2c(=O)n1C[C@@H]1CCCO1)[*:1]
COC(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S[C@H]3CCCCCC3=O)nc2c1 C1CO[C@@H](C1)C[*:1] COC(=O)c1ccc2c(=O)n(c(nc2c1)S[C@H]1CCCCCC1=O)[*:1]
COC(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S[C@H]3CCCCCC3=O)nc2c1 C1CO[C@@H](C1)[*:1] COC(=O)c1ccc2c(=O)n(C[*:1])c(nc2c1)S[C@H]1CCCCCC1=O
COc1ccc(C)cc1NC(=O)CS(=O)(=O)c1cccs1 c1csc(c1)[*:1] COc1ccc(C)cc1NC(=O)CS(=O)(=O)[*:1]
C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)o2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1[*:1])NC(=O)c1ccc(Cl)o1
C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)o2)CN1c1ccccc1 Clc1ccc(o1)[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)[*:1]
CCCc1ccccc1-n1c(CCl)nc2cccnc21 CCC[*:1] ClCc1nc2cccnc2n1-c1ccccc1[*:1]
C[C@H]1CC(C(=O)OC2CCN(CC(F)(F)F)CC2)C[C@H](C)O1 FC(F)(F)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)OC1CCN(CC1)C[*:1]
C[C@H]1CC(C(=O)OC2CCN(CC(F)(F)F)CC2)C[C@H](C)O1 FC(F)(F)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)OC1CCN(CC1)[*:1]
Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1oc(nc1C(=O)Nc1ccccc1)[*:1]
Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1oc(nc1C(=O)N[*:1])-c1ccccc1
CCCn1ncnc1[C@@H](C)NC(=O)c1cnc(CC)nc1 CCC[*:1] CCc1ncc(cn1)C(=O)N[C@H](C)c1ncnn1[*:1]
COc1cccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1F CS(=O)(=O)[*:1] COc1cccc(C(=O)NC2CC[NH+](CC2)CC[*:1])c1F
COc1cccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1F CS(=O)(=O)C[*:1] COc1cccc(C(=O)NC2CC[NH+](CC2)C[*:1])c1F
COc1cccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1F CS(=O)(=O)CC[*:1] COc1cccc(C(=O)NC2CC[NH+](CC2)[*:1])c1F
C[C@@H](C(=O)N1CCCCC1)S(=O)(=O)Cc1ccc(C(=O)N(C)C)cc1 O=C(N1CCCCC1)[*:1] C[C@@H](S(=O)(=O)Cc1ccc(cc1)C(=O)N(C)C)[*:1]
C[C@@H](C(=O)N1CCCCC1)S(=O)(=O)Cc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] C[C@@H](C(=O)N1CCCCC1)S(=O)(=O)Cc1ccc(cc1)[*:1]
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1F CCO[*:1] O=S(=O)(Nc1ccc(c(F)c1)[*:1])c1ccc2CCCc2c1
CCCOC/C([O-])=N/S(=O)(=O)c1ccc(Br)cc1 CCCOC[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1ccc(Br)cc1
CCCOC/C([O-])=N/S(=O)(=O)c1ccc(Br)cc1 CCCO[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1ccc(Br)cc1
CCCOC/C([O-])=N/S(=O)(=O)c1ccc(Br)cc1 CCC[*:1] O=S(=O)(/N=C(\[O-])CO[*:1])c1ccc(Br)cc1
Cc1n[nH]c(COc2ccc(Cl)cc2)c1C(=O)NN NNC(=O)[*:1] Cc1n[nH]c(COc2ccc(Cl)cc2)c1[*:1]
CCc1ccc([C@H](C)CC(=O)NC[C@](C)(O)c2ccsc2)cc1 c1cc(cs1)[*:1] CCc1ccc(cc1)[C@H](C)CC(=O)NC[C@](C)(O)[*:1]
O=C([O-])[C@@H]1CCC(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1CCC(=O)N(CCCn2cc[nH+]c2)[C@@H]1[*:1]
O=C([O-])[C@@H]1CCC(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccccc1 O=C([O-])[*:1] O=C1CC[C@H]([C@H](c2ccccc2)N1CCCn1cc[nH+]c1)[*:1]
CCCCCn1c([O-])c(C(=O)NCc2ccncc2)c(=O)c2ccccc21 CCCC[*:1] O=C(NCc1ccncc1)c1c([O-])n(C[*:1])c2ccccc2c1=O
CCCCCn1c([O-])c(C(=O)NCc2ccncc2)c(=O)c2ccccc21 c1cc(ccn1)[*:1] CCCCCn1c([O-])c(C(=O)NC[*:1])c(=O)c2ccccc21
CCCCCn1c([O-])c(C(=O)NCc2ccncc2)c(=O)c2ccccc21 CCCCC[*:1] O=C(NCc1ccncc1)c1c([O-])n(c2ccccc2c1=O)[*:1]
CCCCCn1c([O-])c(C(=O)NCc2ccncc2)c(=O)c2ccccc21 CCC[*:1] O=C(NCc1ccncc1)c1c([O-])n(CC[*:1])c2ccccc2c1=O
CCCCCn1c([O-])c(C(=O)NCc2ccncc2)c(=O)c2ccccc21 c1cc(ccn1)C[*:1] CCCCCn1c([O-])c(C(=O)N[*:1])c(=O)c2ccccc21
CC[C@H](Oc1ccccc1)C(=O)N[C@@H]1CCSC1=O c1ccc(cc1)[*:1] CC[C@H](O[*:1])C(=O)N[C@@H]1CCSC1=O
Cc1cccc([C@H](C)S(=O)(=O)Cc2noc(Cc3ccccc3C)n2)c1 Cc1cccc(c1)[*:1] Cc1ccccc1Cc1nc(CS(=O)(=O)[C@@H](C)[*:1])no1
Cc1cccc([C@H](C)S(=O)(=O)Cc2noc(Cc3ccccc3C)n2)c1 Cc1ccccc1[*:1] Cc1cccc(c1)[C@H](C)S(=O)(=O)Cc1noc(C[*:1])n1
Cc1cccc([C@H](C)S(=O)(=O)Cc2noc(Cc3ccccc3C)n2)c1 Cc1ccccc1C[*:1] Cc1cccc(c1)[C@H](C)S(=O)(=O)Cc1noc(n1)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1cc(C#N)ccn1 CCC[C@@H](C)[*:1] C[C@H](Sc1cc(C#N)ccn1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1cc(C#N)ccn1 CCC[*:1] C[C@H](Sc1cc(C#N)ccn1)C(=O)N[C@H](C)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)[C@H](C)CC3CCCC3)CC2)s1 Cc1ccc(s1)[*:1] C[C@H](CC1CCCC1)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)[C@H](C)CC3CCCC3)CC2)s1 C1CCC(C1)[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)[C@H](C)C[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)[C@H](C)CC3CCCC3)CC2)s1 C1CCC(C1)C[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)[C@H](C)[*:1]
COc1ccc(CN(C)C(=O)c2cn(C3CCCCC3)nn2)c2cccnc12 C1CCC(CC1)[*:1] COc1ccc(CN(C)C(=O)c2cn(nn2)[*:1])c2cccnc12
CC[C@@H](C)[C@@H](C(=O)NCc1ccncc1)N1Cc2ccccc2C1=O CC[C@@H](C)[*:1] O=C(NCc1ccncc1)[C@@H](N1Cc2ccccc2C1=O)[*:1]
CC[C@@H](C)[C@@H](C(=O)NCc1ccncc1)N1Cc2ccccc2C1=O c1cc(ccn1)[*:1] CC[C@@H](C)[C@@H](C(=O)NC[*:1])N1Cc2ccccc2C1=O
CC[C@@H](C)[C@@H](C(=O)NCc1ccncc1)N1Cc2ccccc2C1=O c1cc(ccn1)C[*:1] CC[C@@H](C)[C@@H](C(=O)N[*:1])N1Cc2ccccc2C1=O
COc1ccc(NC(=O)C2(C#N)CCCC2)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(cc1[*:1])NC(=O)C1(C#N)CCCC1
COc1ccc(NC(=O)C2(C#N)CCCC2)cc1S(=O)(=O)N1CCCCC1 N#CC1(CCCC1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)[*:1]
C[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 C[C@H]1CCCCN1C(=O)[*:1] FC(F)(F)[C@@H]1C[C@@H](Nc2cc(nn21)[*:1])c1ccccc1
C[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 FC(F)(F)[*:1] C[C@H]1CCCCN1C(=O)c1cc2N[C@H](C[C@@H](n2n1)[*:1])c1ccccc1
C[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)F)[*:1]
CSc1ccc(C[NH2+]Cc2cccs2)cc1 c1csc(c1)[*:1] CSc1ccc(cc1)C[NH2+]C[*:1]
CCCCNC(=O)C1CCN(C(=O)N[C@H]2CCC[C@H](C)C2)CC1 CCCCNC(=O)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)N1CCC(CC1)[*:1]
CCCCNC(=O)C1CCN(C(=O)N[C@H]2CCC[C@H](C)C2)CC1 CCCC[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)N1CCC(CC1)C(=O)N[*:1]
CCCCNC(=O)C1CCN(C(=O)N[C@H]2CCC[C@H](C)C2)CC1 CCC[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)N1CCC(CC1)C(=O)NC[*:1]
CC[C@@H](C[C@H](C)CC)[C@](C)(O)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C[C@H](C)CC)[C@](C)(O)[*:1]
CC[C@@H](C[C@H](C)CC)[C@](C)(O)C(=O)[O-] CC[C@@H](C)[*:1] CC[C@@H](C[*:1])[C@](C)(O)C(=O)[O-]
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@@H](C(=O)N2CCCCC2)Sc2ccccc21 Cc1ccc(Cl)cc1[*:1] O=C(CN1C(=O)[C@H](Sc2ccccc21)C(=O)N1CCCCC1)N[*:1]
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@@H](C(=O)N2CCCCC2)Sc2ccccc21 O=C(N1CCCCC1)[*:1] Cc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@@H](Sc2ccccc21)[*:1]
O=C(CSc1nnc(-c2cc(-c3ccccn3)nc3ccccc23)o1)N[C@H]1CCCc2ccccc21 c1ccc(nc1)[*:1] O=C(CSc1nnc(o1)-c1cc(nc2ccccc12)[*:1])N[C@H]1CCCc2ccccc21
CCc1nn(C)c(CC)c1CNC(=O)N[C@@H](C)CSC CSC[*:1] CCc1nn(C)c(CC)c1CNC(=O)N[C@@H](C)[*:1]
CCc1nn(C)c(CC)c1CNC(=O)N[C@@H](C)CSC CSC[C@H](C)[*:1] CCc1nn(C)c(CC)c1CNC(=O)N[*:1]
Cn1c(SCCO)nnc1[C@H]1CCC[NH2+]1 OCCS[*:1] Cn1c(nnc1[*:1])[C@H]1CCC[NH2+]1
Cn1c(SCCO)nnc1[C@H]1CCC[NH2+]1 OCC[*:1] Cn1c(nnc1[C@H]1CCC[NH2+]1)S[*:1]
Fc1cncc(CCc2nc(Cc3ccccc3)no2)c1 c1ccc(cc1)[*:1] Fc1cncc(c1)CCc1nc(C[*:1])no1
Fc1cncc(CCc2nc(Cc3ccccc3)no2)c1 c1ccc(cc1)C[*:1] Fc1cncc(c1)CCc1nc(no1)[*:1]
Fc1cncc(CCc2nc(Cc3ccccc3)no2)c1 Fc1cncc(c1)[*:1] c1ccc(cc1)Cc1noc(CC[*:1])n1
COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 COc1ccc(Cl)cc1[*:1] O=C(N[*:1])c1nn(-c2ccc(F)cc2)c2CCCCc12
COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 Fc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)c1nn(c2CCCCc12)[*:1]
Cc1cccc(N2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)c1C Cc1cccc(c1C)[*:1] Cc1cccc(C(=O)N2CCN(CC2)[*:1])c1[N+](=O)[O-]
Cc1cccc(N2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)c1C O=[N+]([O-])[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)c1cccc(C)c1[*:1]
Cc1cc(C)cc(CS(=O)(=O)Cc2nc(-c3ccccc3)oc2C)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)CS(=O)(=O)Cc1nc(oc1C)[*:1]
Cc1cc(C)cc(CS(=O)(=O)Cc2nc(-c3ccccc3)oc2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1oc(nc1CS(=O)(=O)C[*:1])-c1ccccc1
CSCC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 CSC[*:1] O=C1OCCN1c1cccc2CN(CCc21)C(=O)[*:1]
CSCC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 O=C1OCCN1[*:1] CSCC(=O)N1CCc2c(cccc2[*:1])C1
CC[C@@H](NC(=O)[C@@H]1CCC[C@H](C)C1)c1c(C)nn(C)c1C C[C@H]1CCC[C@H](C1)[*:1] CC[C@@H](NC(=O)[*:1])c1c(C)nn(C)c1C
Cc1cc(C)c(C#N)c(OCC(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)c(C#N)c(n1)OCC(=O)[*:1]
CC(C)C[NH+]1CCN([C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 CC(C)C[*:1] C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCN([C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 O=S1(=O)CC[C@@H](C1)[*:1] CC(C)C[NH+]1CCN(CC1)[C@@H](C)C(=O)N[*:1]
CC(C)C[NH+]1CCN([C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 CC(C)[*:1] C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CC[NH+](CC1)C[*:1]
COc1ccccc1[C@H](NC(=O)[C@H]1CCO[C@H]1C)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)[C@H]1CCO[C@H]1C)[*:1]
COc1ccccc1[C@H](NC(=O)[C@H]1CCO[C@H]1C)c1ccccn1 COc1ccccc1[*:1] C[C@@H]1OCC[C@@H]1C(=O)N[C@H](c1ccccn1)[*:1]
CCOC(=O)N(C)c1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1 CCOC(=O)N(C)[*:1] C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)N(C)c1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1 c1coc(c1)[*:1] CCOC(=O)N(C)c1ccc(cc1)NC(=O)N(C)[C@@H](C)[*:1]
C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 NC(=O)[*:1] C[C@@H]1CC[C@H](CN1S(=O)(=O)c1cc(C(N)=O)n(C)c1)[*:1]
C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 NC(=O)[*:1] C[C@@H]1CC[C@@H](CN1S(=O)(=O)c1cc(n(C)c1)[*:1])C(N)=O
COc1ccc2[nH]c3c(=O)n(/N=C/c4cccc([N+](=O)[O-])c4)cnc3c2c1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc2[nH]c3c(=O)n(cnc3c2c1)N=C[*:1]
COc1ccc2[nH]c3c(=O)n(/N=C/c4cccc([N+](=O)[O-])c4)cnc3c2c1 O=[N+]([O-])[*:1] COc1ccc2[nH]c3c(=O)n(cnc3c2c1)/N=C/c1cccc(c1)[*:1]
C[C@]1(COC(=O)c2cccc(OCC(F)F)n2)CCCO1 FC(F)C[*:1] C[C@@]1(CCCO1)COC(=O)c1cccc(n1)O[*:1]
C[C@]1(COC(=O)c2cccc(OCC(F)F)n2)CCCO1 FC(F)CO[*:1] C[C@@]1(CCCO1)COC(=O)c1cccc(n1)[*:1]
C[C@]1(COC(=O)c2cccc(OCC(F)F)n2)CCCO1 FC(F)[*:1] C[C@@]1(CCCO1)COC(=O)c1cccc(n1)OC[*:1]
Cc1ccn(CCC(=O)N2CCC[C@H]2c2nnc(-c3scnc3C)o2)n1 Cc1ccn(C[*:1])n1 Cc1ncsc1-c1nnc(o1)[C@@H]1CCCN1C(=O)C[*:1]
Cc1ccn(CCC(=O)N2CCC[C@H]2c2nnc(-c3scnc3C)o2)n1 Cc1ccn(n1)[*:1] Cc1ncsc1-c1nnc(o1)[C@@H]1CCCN1C(=O)CC[*:1]
Cc1ccn(CCC(=O)N2CCC[C@H]2c2nnc(-c3scnc3C)o2)n1 Cc1ccn(CC[*:1])n1 Cc1ncsc1-c1nnc(o1)[C@@H]1CCCN1C(=O)[*:1]
Cc1ccn(CCC(=O)N2CCC[C@H]2c2nnc(-c3scnc3C)o2)n1 Cc1ncsc1[*:1] Cc1ccn(CCC(=O)N2CCC[C@H]2c2nnc(o2)[*:1])n1
C[C@@H](NC(=O)c1cccnc1SC(F)(F)F)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](NC(=O)c1cccnc1SC(F)(F)F)C(=O)N[*:1]
C[C@@H](NC(=O)c1cccnc1SC(F)(F)F)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](NC(=O)c1cccnc1SC(F)(F)F)[*:1]
C[C@@H](NC(=O)c1cccnc1SC(F)(F)F)C(=O)NC(C)(C)C FC(F)(F)S[*:1] C[C@@H](NC(=O)c1cccnc1[*:1])C(=O)NC(C)(C)C
C[C@@H](NC(=O)c1cccnc1SC(F)(F)F)C(=O)NC(C)(C)C FC(F)(F)[*:1] C[C@@H](NC(=O)c1cccnc1S[*:1])C(=O)NC(C)(C)C
CCc1ocnc1C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1 CCc1ocnc1[*:1] CC(C)c1nc(no1)[C@H]1CCCN(C1)C(=O)[*:1]
CCc1ocnc1C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1 CC(C)[*:1] CCc1ocnc1C(=O)N1CCC[C@@H](C1)c1noc(n1)[*:1]
CSc1ccc(OC(=O)CCc2ccsc2)cc1 c1cc(cs1)[*:1] CSc1ccc(cc1)OC(=O)CC[*:1]
CSc1ccc(OC(=O)CCc2ccsc2)cc1 c1cc(cs1)C[*:1] CSc1ccc(cc1)OC(=O)C[*:1]
COc1ccccc1/C=C\C1=N/C(=C/C=C/c2ccccc2OC)C(=O)O1 COc1ccccc1[*:1] COc1ccccc1/C=C/C=C1/N=C(\C=C[*:1])OC1=O
COc1ccccc1/C=C\C1=N/C(=C/C=C/c2ccccc2OC)C(=O)O1 COc1ccccc1[*:1] COc1ccccc1/C=C\C1=N/C(=C/C=C[*:1])C(=O)O1
CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccncc1 c1cc(ccn1)[*:1] CC(=O)C1=C(C)Nc2ncnn2[C@@H]1[*:1]
CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccncc1 CC(=O)[*:1] CC1Nc2ncnn2[C@H](C=1[*:1])c1ccncc1
COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)c1cc(=O)oc2cc(OC)ccc12 Clc1ccc(cc1Cl)[*:1] COC(=O)[C@H](C[*:1])c1cc(=O)oc2cc(ccc12)OC
COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)c1cc(=O)oc2cc(OC)ccc12 COC(=O)[*:1] COc1ccc2c(cc(=O)oc2c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[*:1]
COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)c1cc(=O)oc2cc(OC)ccc12 Clc1ccc(cc1Cl)C[*:1] COC(=O)[C@H](c1cc(=O)oc2cc(ccc12)OC)[*:1]
Cc1ccc(/C=N\Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1csc(n1)NN=C[*:1]
Cc1ccc(/C=N\Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 O=[N+]([O-])[*:1] Cc1ccc(/C=N\Nc2nc(cs2)-c2ccc(cc2)[*:1])cc1
C[C@@H](Sc1ccccn1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)NC[C@H](c1ccccc1)[NH+](C)C
C[C@@H](Sc1ccccn1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C c1ccc(nc1)S[*:1] C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[*:1]
C[C@@H](Sc1ccccn1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] C[C@@H](Sc1ccccn1)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1nnc([C@H](C)N(C)OCc2ccccc2)o1 Cc1nnc(o1)[*:1] C[C@H](N(C)OCc1ccccc1)[*:1]
Cc1nnc([C@H](C)N(C)OCc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1nnc(o1)[C@H](C)N(C)OC[*:1]
C[C@H]([NH2+][C@H]1CCCCC[C@@H]1CO)c1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)CO[*:1] C[C@H]([NH2+][C@H]1CCCCC[C@@H]1CO)c1cccc(c1)[*:1]
C[C@H]([NH2+][C@H]1CCCCC[C@@H]1CO)c1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] C[C@H]([NH2+][C@H]1CCCCC[C@@H]1CO)c1cccc(c1)O[*:1]
C[C@H]([NH2+][C@H]1CCCCC[C@@H]1CO)c1cccc(OCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@H]([NH2+][C@H]1CCCCC[C@@H]1CO)c1cccc(c1)OC[*:1]
COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2Cl)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnnn1[*:1])Nc1cccc(Cl)c1Cl
COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2Cl)cc1 Clc1cccc(c1Cl)[*:1] COc1ccc(cc1)-n1nnnc1SCC(=O)N[*:1]
Cn1cc(NC(=O)C(=O)N2CCc3ccc(Cl)cc3C2)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])C(=O)N1CCc2ccc(Cl)cc2C1
CCOc1cc(C=O)cc(Br)c1OC(=O)c1ccccc1Cl CCO[*:1] O=Cc1cc(Br)c(OC(=O)c2ccccc2Cl)c(c1)[*:1]
CCOc1cc(C=O)cc(Br)c1OC(=O)c1ccccc1Cl Clc1ccccc1[*:1] CCOc1cc(C=O)cc(Br)c1OC(=O)[*:1]
COC[C@@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)CCO1 COC[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N1CCO[C@@H](C1)[*:1]
CC1=C([C@H](NC(=O)c2cccc3ccccc23)C(=O)[O-])[C@H](C)N=N1 O=C([O-])[*:1] CC1N=N[C@@H](C)C=1[C@H](NC(=O)c1cccc2ccccc12)[*:1]
O=C(c1cc(-c2ccccc2)on1)N1CCOc2ccc(CN3CCN(c4cccc[nH+]4)CC3)cc2C1 c1ccc(cc1)-c1cc(no1)[*:1] O=C(N1CCOc2ccc(cc2C1)CN1CCN(CC1)c1cccc[nH+]1)[*:1]
O=C(c1cc(-c2ccccc2)on1)N1CCOc2ccc(CN3CCN(c4cccc[nH+]4)CC3)cc2C1 c1ccc(cc1)[*:1] O=C(c1cc(on1)[*:1])N1CCOc2ccc(cc2C1)CN1CCN(CC1)c1cccc[nH+]1
C[C@H]1CCCC(CC(=O)[O-])(CC(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CCCC(CC(=O)[O-])(C1)C[*:1]
C[C@H]1CCCC(CC(=O)[O-])(CC(=O)[O-])C1 O=C([O-])C[*:1] C[C@H]1CCCC(CC(=O)[O-])(C1)[*:1]
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=O CN(S(C)(=O)=O)[*:1] CC(C)c1nc(nc(-c2ccc(F)cc2)c1C=O)[*:1]
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=O CC(C)[*:1] CN(c1nc(-c2ccc(F)cc2)c(C=O)c(n1)[*:1])S(C)(=O)=O
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=O Fc1ccc(cc1)[*:1] CC(C)c1nc(nc(c1C=O)[*:1])N(C)S(C)(=O)=O
CCCOC[C@@H]([NH3+])c1ccc(OC)cc1 CCCO[*:1] COc1ccc(cc1)[C@H]([NH3+])C[*:1]
CCCOC[C@@H]([NH3+])c1ccc(OC)cc1 CCCOC[*:1] COc1ccc(cc1)[C@H]([NH3+])[*:1]
CCCOC[C@@H]([NH3+])c1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)[C@H]([NH3+])CO[*:1]
O=C1CCCN1c1ccc(C/C([O-])=N/S(=O)(=O)CCCF)cc1 O=C1CCCN1[*:1] O=S(=O)(CCCF)/N=C(\[O-])Cc1ccc(cc1)[*:1]
O=C1CCCN1c1ccc(C/C([O-])=N/S(=O)(=O)CCCF)cc1 FCC[*:1] O=C1CCCN1c1ccc(cc1)C/C([O-])=N/S(=O)(=O)C[*:1]
O=C1CCCN1c1ccc(C/C([O-])=N/S(=O)(=O)CCCF)cc1 FCCC[*:1] O=C1CCCN1c1ccc(cc1)C/C([O-])=N/S(=O)(=O)[*:1]
C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)O[*:1]
C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)Oc1ccccc1 N#Cc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NC[C@@H](C)Oc1ccccc1
C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)[*:1]
CC(C)[NH+]1CCC(C(=O)Nc2cccc(-c3ncon3)c2)CC1 CC(C)[*:1] O=C(Nc1cccc(c1)-c1ncon1)C1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCC(C(=O)Nc2cccc(-c3ncon3)c2)CC1 c1nc(no1)[*:1] CC(C)[NH+]1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
O=[N+]([O-])c1c(Nc2ccccc2F)ncnc1N1CCCCC1 Fc1ccccc1[*:1] O=[N+]([O-])c1c(ncnc1N1CCCCC1)N[*:1]
O=[N+]([O-])c1c(Nc2ccccc2F)ncnc1N1CCCCC1 O=[N+]([O-])[*:1] Fc1ccccc1Nc1ncnc(c1[*:1])N1CCCCC1
O=[N+]([O-])c1c(Nc2ccccc2F)ncnc1N1CCCCC1 C1CCN(CC1)[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccccc1F
CO[C@H](C)C(=O)Nc1cccc(NC(=O)NCCC2=CCCCC2)c1 CO[C@H](C)C(=O)N[*:1] O=C(NCCC1=CCCCC1)Nc1cccc(c1)[*:1]
O=C([O-])CCCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 O=C([O-])C[*:1] O=C(CC[*:1])Nc1ccc(cc1)C(=O)N1CCOCC1
O=C([O-])CCCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 O=C([O-])CCC[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCOCC1
O=C([O-])CCCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 O=C([O-])[*:1] O=C(CCC[*:1])Nc1ccc(cc1)C(=O)N1CCOCC1
O=C([O-])CCCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 O=C([O-])CC[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)N1CCOCC1
O=C(Cc1ccc(Cl)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] O=C(C[*:1])N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1
O=C(Cc1ccc(Cl)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)C[*:1] O=C(Cc1ccc(Cl)cc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(Cc1ccc(Cl)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)C[*:1] O=C(N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)[*:1]
O=C(Cc1ccc(Cl)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] O=C(Cc1ccc(Cl)cc1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CNC(=O)c1sc2nc(CSc3cc(C)ccc3C)[nH]c(=O)c2c1C Cc1ccc(C)c(c1)[*:1] CNC(=O)c1sc2nc(CS[*:1])[nH]c(=O)c2c1C
CNC(=O)c1sc2nc(CSc3cc(C)ccc3C)[nH]c(=O)c2c1C CNC(=O)[*:1] Cc1ccc(C)c(c1)SCc1nc2sc(c(C)c2c(=O)[nH]1)[*:1]
CN(C)c1cc(CNC(=O)CCc2ccccn2)c2ccccc2[nH+]1 c1ccc(CC[*:1])nc1 CN(C)c1cc(CNC(=O)[*:1])c2ccccc2[nH+]1
CN(C)c1cc(CNC(=O)CCc2ccccn2)c2ccccc2[nH+]1 c1ccc(nc1)[*:1] CN(C)c1cc(CNC(=O)CC[*:1])c2ccccc2[nH+]1
CN(C)c1cc(CNC(=O)CCc2ccccn2)c2ccccc2[nH+]1 CN(C)[*:1] O=C(CCc1ccccn1)NCc1cc([nH+]c2ccccc12)[*:1]
CN(C)c1cc(CNC(=O)CCc2ccccn2)c2ccccc2[nH+]1 c1ccc(C[*:1])nc1 CN(C)c1cc(CNC(=O)C[*:1])c2ccccc2[nH+]1
COCCn1cc(NC(=O)NCc2cc3cc(F)ccc3s2)cn1 COCC[*:1] O=C(NCc1cc2cc(F)ccc2s1)Nc1cnn(c1)[*:1]
COCCn1cc(NC(=O)NCc2cc3cc(F)ccc3s2)cn1 COC[*:1] O=C(NCc1cc2cc(F)ccc2s1)Nc1cnn(c1)C[*:1]
Cc1nn2cc(Cn3c[nH+]c(-c4ccccc4)c3[C@H]3CCOC3)nc2s1 c1ccc(cc1)[*:1] Cc1nn2cc(Cn3c[nH+]c(c3[C@H]3CCOC3)[*:1])nc2s1
COc1ccc(C(=O)NC(/C(C(C)=O)=C(/C)[O-])(C(F)(F)F)C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C(=O)NC(/C(C(C)=O)=C(/C)[O-])(C(F)(F)F)[*:1]
COc1ccc(C(=O)NC(/C(C(C)=O)=C(/C)[O-])(C(F)(F)F)C(F)(F)F)cc1 CC(=O)[*:1] COc1ccc(cc1)C(=O)NC(C(=C(C)[O-])[*:1])(C(F)(F)F)C(F)(F)F
COc1ccc(C(=O)NC(/C(C(C)=O)=C(/C)[O-])(C(F)(F)F)C(F)(F)F)cc1 COc1ccc(cc1)[*:1] CC(=O)/C(=C(\C)[O-])C(NC(=O)[*:1])(C(F)(F)F)C(F)(F)F
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc3c(c2)COC3)c1 c1cc2COCc2cc1[*:1] CC[C@@H](C)C(=O)Nc1cccc(c1)CNC(=O)N[*:1]
CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc3c(c2)COC3)c1 CC[C@@H](C)C(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])Nc1ccc2COCc2c1
O=C(NCCCn1c(C(F)(F)F)nc2cccnc21)Nc1ccccc1F Fc1ccccc1[*:1] O=C(NCCCn1c(nc2cccnc21)C(F)(F)F)N[*:1]
O=C(NCCCn1c(C(F)(F)F)nc2cccnc21)Nc1ccccc1F FC(F)(F)[*:1] O=C(NCCCn1c(nc2cccnc21)[*:1])Nc1ccccc1F
NC(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 Fc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)C(=O)N(C[*:1])C1CC1
NC(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 C1CC1[*:1] NC(=O)c1ccc(cc1)C(=O)N(Cc1ccc(F)cc1)[*:1]
NC(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 NC(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccc(F)cc1)C1CC1
Cc1cccn2cc(CC(=O)NCc3cc[nH+]c(N(C)C)c3)nc12 CN(C)[*:1] Cc1cccn2cc(CC(=O)NCc3cc[nH+]c(c3)[*:1])nc12
Cc1ccc(Nc2nc(N)c(C(=O)c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Nc1nc(N)c(s1)C(=O)[*:1]
Cc1ccc(Nc2nc(N)c(C(=O)c3ccccc3)s2)cc1 Cc1ccc(cc1)[*:1] Nc1nc(N[*:1])sc1C(=O)c1ccccc1
CC(C)C[NH+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 CC(C)C[*:1] O=C(CN1CC[NH+](CC1)[*:1])N1CCc2cc(ccc21)[N+](=O)[O-]
CC(C)C[NH+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 O=[N+]([O-])[*:1] CC(C)C[NH+]1CCN(CC1)CC(=O)N1CCc2cc(ccc21)[*:1]
CC(C)C[NH+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 CC(C)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])N1CCc2cc(ccc21)[N+](=O)[O-]
Cn1cc([C@](C)(O)CNc2ccc([N+](=O)[O-])cc2C#N)cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)[C@](C)(O)CNc1ccc(cc1C#N)[*:1]
Cn1cc([C@](C)(O)CNc2ccc([N+](=O)[O-])cc2C#N)cn1 Cn1cc(cn1)[*:1] C[C@](O)(CNc1ccc(cc1C#N)[N+](=O)[O-])[*:1]
CC[NH2+][C@H](CSC(C)(C)C)[C@H](C)CC CC[C@@H](C)[*:1] CC[NH2+][C@H](CSC(C)(C)C)[*:1]
CC[NH2+][C@H](CSC(C)(C)C)[C@H](C)CC CC(C)(C)[*:1] CC[NH2+][C@H](CS[*:1])[C@H](C)CC
COc1ccsc1CNc1ccc2[nH]nc(C(N)=O)c2c1 NC(=O)[*:1] COc1ccsc1CNc1ccc2[nH]nc(c2c1)[*:1]
COc1ccsc1CNc1ccc2[nH]nc(C(N)=O)c2c1 COc1ccsc1[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC[*:1]
COC[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1N COC[*:1] C[C@@H](Nc1ccc(cc1N)S(C)(=O)=O)[*:1]
COC[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1N CS(=O)(=O)[*:1] COC[C@@H](C)Nc1ccc(cc1N)[*:1]
COC[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1N COC[C@@H](C)[*:1] CS(=O)(=O)c1ccc(N[*:1])c(N)c1
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H]1CC(=O)N(Cc3ccccc3)C1)CC2 c1ccc(cc1)C[*:1] COc1cc2CCN(C(=O)[C@H]3CC(=O)N(C3)[*:1])[C@@H](c3cccs3)c2cc1OC
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H]1CC(=O)N(Cc3ccccc3)C1)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(C(=O)[C@H]3CC(=O)N(C3)C[*:1])[C@@H](c3cccs3)c2cc1OC
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H]1CC(=O)N(Cc3ccccc3)C1)CC2 c1csc(c1)[*:1] COc1cc2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)[C@@H](c2cc1OC)[*:1]
Cc1nc2sc3c(c2c2nc(C(=O)NCCN4CCOCC4)nn12)[C@H](C)CCC3 C1CN(CCO1)CC[*:1] Cc1nc2sc3CCC[C@@H](C)c3c2c2nc(nn12)C(=O)N[*:1]
Cc1nc2sc3c(c2c2nc(C(=O)NCCN4CCOCC4)nn12)[C@H](C)CCC3 C1CN(CCO1)[*:1] Cc1nc2sc3CCC[C@@H](C)c3c2c2nc(nn12)C(=O)NCC[*:1]
Cc1nc2sc3c(c2c2nc(C(=O)NCCN4CCOCC4)nn12)[C@H](C)CCC3 C1CN(CCO1)C[*:1] Cc1nc2sc3CCC[C@@H](C)c3c2c2nc(nn12)C(=O)NC[*:1]
CCCCn1c([S@](=O)Cc2ccc(OC)cc2Cl)n[nH]c1=O CCCC[*:1] COc1ccc(C[S@@](=O)c2n[nH]c(=O)n2[*:1])c(Cl)c1
CCCCn1c([S@](=O)Cc2ccc(OC)cc2Cl)n[nH]c1=O CCC[*:1] COc1ccc(C[S@@](=O)c2n[nH]c(=O)n2C[*:1])c(Cl)c1
C#CCNC(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 C#CC[*:1] CN(C(=O)CN1CCN(CC1)C(=O)N[*:1])C1CCCCC1
C#CCNC(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 C1CCC(CC1)[*:1] C#CCNC(=O)N1CCN(CC1)CC(=O)N(C)[*:1]
CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])Cc2ccccc21 O=[N+]([O-])[*:1] CN1CCN(Cc2ccccc21)c1nc2ccccn2c1[*:1]
C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)[*:1]
COc1ccc(OC)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 c1cncc(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)c1cn(nc1[*:1])-c1ccccc1
COc1ccc(OC)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)c1cn(nc1-c1cccnc1)[*:1]
COc1ccc(OC)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 COc1ccc(OC)c(c1)[*:1] O=C(N[*:1])c1cn(nc1-c1cccnc1)-c1ccccc1
CCSc1cncc(NCCC2CC[NH+](CC)CC2)n1 CCS[*:1] CC[NH+]1CCC(CCNc2cncc(n2)[*:1])CC1
CC[C@@H](C)NC(=O)c1cccn(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1=O Cc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)c1cccn(-c2ccc(cc2)NC(=O)[*:1])c1=O
CC[C@@H](C)NC(=O)c1cccn(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1=O Cc1ccc(cc1)C(=O)N[*:1] CC[C@@H](C)NC(=O)c1cccn(-c2ccc(cc2)[*:1])c1=O
N#CCN(CN1CCCCC1=O)C1CCCC1 N#CC[*:1] O=C1CCCCN1CN(C1CCCC1)[*:1]
N#CCN(CN1CCCCC1=O)C1CCCC1 C1CCC(C1)[*:1] N#CCN(CN1CCCCC1=O)[*:1]
CC[C@@H](CO)[NH+]1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 O=[N+]([O-])[*:1] CC[C@@H](CO)[NH+]1CCN(CC1)CC(=O)Nc1cccc(c1C)[*:1]
CC[NH+](CCO)Cc1cc(=O)n2cc(C)ccc2n1 OCC[*:1] CC[NH+](Cc1cc(=O)n2cc(C)ccc2n1)[*:1]
Cc1c(C(=O)Nc2nncs2)cnn1-c1ccc(F)cc1 c1nnc(s1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)N[*:1]
Cc1c(C(=O)Nc2nncs2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1nncs1
CCCS(=O)(=O)[N-]c1cc(C[NH+](C)C)n[nH]1 CCC[*:1] C[NH+](C)Cc1cc([N-]S(=O)(=O)[*:1])[nH]n1
Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)N2CCC[C@H](C2)c2[nH]cc[nH+]2)c(C)n1[*:1]
Cc1cccc(-n2nnnc2SCc2ncn(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-n1nnnc1SCc1ncn(n1)[*:1]
Cc1cccc(-n2nnnc2SCc2ncn(-c3ccccc3)n2)c1 Cc1cccc(c1)[*:1] c1ccc(cc1)-n1cnc(CSc2nnnn2[*:1])n1
O=C(Nc1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(Nc1ccc(F)c(F)c1F)c1ccc(o1)[*:1]
CCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 CCC[*:1] COc1cc(cc(OC)c1OC)[C@@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1[*:1]
NC(=O)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 NC(=O)C[*:1] C1CC2(CCO1)C[C@@H](CCO2)[NH2+][*:1]
NC(=O)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 NC(=O)[*:1] C1CC2(CCO1)C[C@@H](CCO2)[NH2+]C[*:1]
CC[NH2+][C@@H](Cc1ccc(O)cc1)c1ccc(C(C)C)cc1 Oc1ccc(cc1)[*:1] CC[NH2+][C@@H](C[*:1])c1ccc(cc1)C(C)C
CC[NH2+][C@@H](Cc1ccc(O)cc1)c1ccc(C(C)C)cc1 CC(C)[*:1] CC[NH2+][C@@H](Cc1ccc(O)cc1)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(NC(=O)c2ccccc2I)c(C)c1 Ic1ccccc1[*:1] CCOC(=O)c1ccc(NC(=O)[*:1])c(C)c1
CCOC(=O)c1ccc(NC(=O)c2ccccc2I)c(C)c1 CCOC(=O)[*:1] Cc1cc(ccc1NC(=O)c1ccccc1I)[*:1]
C=CCNC(=O)c1nc(C(=O)N(C)Cc2ccc(C)o2)cs1 C=CC[*:1] Cc1ccc(CN(C)C(=O)c2csc(n2)C(=O)N[*:1])o1
C=CCNC(=O)c1nc(C(=O)N(C)Cc2ccc(C)o2)cs1 Cc1ccc(C[*:1])o1 C=CCNC(=O)c1nc(cs1)C(=O)N(C)[*:1]
C=CCNC(=O)c1nc(C(=O)N(C)Cc2ccc(C)o2)cs1 Cc1ccc(o1)[*:1] C=CCNC(=O)c1nc(cs1)C(=O)N(C)C[*:1]
C=CCNC(=O)c1nc(C(=O)N(C)Cc2ccc(C)o2)cs1 C=CCNC(=O)[*:1] Cc1ccc(CN(C)C(=O)c2csc(n2)[*:1])o1
C[C@H]1CCC[C@H]([NH2+]Cc2nnc(-c3ccccc3Br)o2)C1 Brc1ccccc1[*:1] C[C@H]1CCC[C@@H](C1)[NH2+]Cc1nnc(o1)[*:1]
COC(=O)N[C@H](C(=O)NCC1CCC(C)(C)CC1)C(C)C CC(C)[*:1] COC(=O)N[C@H](C(=O)NCC1CCC(C)(C)CC1)[*:1]
COC(=O)N[C@H](C(=O)NCC1CCC(C)(C)CC1)C(C)C COC(=O)N[*:1] CC(C)[C@@H](C(=O)NCC1CCC(C)(C)CC1)[*:1]
O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@H](C(=O)N2CCOCC2)C1 O=C(N1CCOCC1)[*:1] O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@H](C1)[*:1]
O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@H](C(=O)N2CCOCC2)C1 c1ccc(cc1)C[*:1] O=C(c1cn(nn1)[*:1])N1CCC[C@@H](C1)C(=O)N1CCOCC1
O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@H](C(=O)N2CCOCC2)C1 c1ccc(cc1)[*:1] O=C(c1cn(C[*:1])nn1)N1CCC[C@@H](C1)C(=O)N1CCOCC1
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@H]2CCCC[C@H]2C1 Cn1cc(cn1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)N1C[C@H]2CCCC[C@H]2C1
C[C@H](OC(=O)CN(C)C(=O)c1ccccc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](OC(=O)CN(C)C(=O)c1ccccc1)[*:1]
C[C@H](OC(=O)CN(C)C(=O)c1ccccc1)c1ccc(Cl)s1 c1ccc(cc1)[*:1] C[C@H](OC(=O)CN(C)C(=O)[*:1])c1ccc(Cl)s1
COc1ccc(OCCCC(=O)N[C@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 COc1ccc(cc1)[*:1] O=C(CCCO[*:1])N[C@H]1CC[C@@H]2CCC[C@@H]2C1
CCC[NH2+][C@H]1CCC[C@H]1CCN1CCO[C@H]2CCC[C@@H]21 CCC[*:1] C1C[C@@H](CCN2CCO[C@H]3CCC[C@@H]32)[C@H](C1)[NH2+][*:1]
CC(C)C[C@H](NC(=O)N1CCC(n2cncn2)CC1)c1ccc(Cl)cc1 CC(C)C[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])N1CCC(CC1)n1cncn1
CC(C)C[C@H](NC(=O)N1CCC(n2cncn2)CC1)c1ccc(Cl)cc1 CC(C)[*:1] O=C(N[C@@H](C[*:1])c1ccc(Cl)cc1)N1CCC(CC1)n1cncn1
CC(C)C[C@H](NC(=O)N1CCC(n2cncn2)CC1)c1ccc(Cl)cc1 c1ncn(n1)[*:1] CC(C)C[C@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(Cl)cc1
CC(C)C[C@H](NC(=O)N1CCC(n2cncn2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)C[C@H](NC(=O)N1CCC(CC1)n1cncn1)[*:1]
COc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)c(OC)c1 c1ccc(nc1)[*:1] COc1ccc(C[NH+]2CCC(CC2)c2cc(=O)[nH]c(n2)[*:1])c(c1)OC
COc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=c1cc(nc([nH]1)-c1ccccn1)C1CC[NH+](CC1)C[*:1]
Cc1nc(NC2CCCC2)cc(CC2CCN(C(=O)Cc3ccccc3)CC2)[nH+]1 C1CCC(C1)[*:1] Cc1nc(cc(CC2CCN(CC2)C(=O)Cc2ccccc2)[nH+]1)N[*:1]
Cc1nc(NC2CCCC2)cc(CC2CCN(C(=O)Cc3ccccc3)CC2)[nH+]1 c1ccc(cc1)[*:1] Cc1nc(cc(CC2CCN(CC2)C(=O)C[*:1])[nH+]1)NC1CCCC1
Cc1nc(NC2CCCC2)cc(CC2CCN(C(=O)Cc3ccccc3)CC2)[nH+]1 C1CCC(C1)N[*:1] Cc1nc(cc(CC2CCN(CC2)C(=O)Cc2ccccc2)[nH+]1)[*:1]
Cc1nc(NC2CCCC2)cc(CC2CCN(C(=O)Cc3ccccc3)CC2)[nH+]1 c1ccc(cc1)C[*:1] Cc1nc(cc(CC2CCN(CC2)C(=O)[*:1])[nH+]1)NC1CCCC1
O=C(Nc1ccccc1C(F)(F)F)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCC(CC1)N1CCN(C[*:1])C(=O)C1=O
O=C(Nc1ccccc1C(F)(F)F)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 FC(F)(F)c1ccccc1[*:1] O=C(N[*:1])N1CCC(CC1)N1CCN(Cc2ccccc2)C(=O)C1=O
O=C(Nc1ccccc1C(F)(F)F)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])N1CCC(CC1)N1CCN(Cc2ccccc2)C(=O)C1=O
O=C(Nc1ccccc1C(F)(F)F)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCC(CC1)N1CCN(C(=O)C1=O)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(cc1)[*:1]
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 Fc1ccccc1[*:1] C[C@H](O[*:1])C(=O)NNC(=O)c1ccc(cc1)C(C)(C)C
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 Fc1ccccc1O[*:1] C[C@H](C(=O)NNC(=O)c1ccc(cc1)C(C)(C)C)[*:1]
COC[C@H]1CCCN(C(=O)NCCc2cc(C)cc(C)c2)C1 COC[*:1] Cc1cc(C)cc(c1)CCNC(=O)N1CCC[C@@H](C1)[*:1]
Fc1cc(CNc2ncnc3[nH]cnc23)ccc1Oc1cccnc1 c1cncc(c1)O[*:1] Fc1cc(ccc1[*:1])CNc1ncnc2[nH]cnc12
Fc1cc(CNc2ncnc3[nH]cnc23)ccc1Oc1cccnc1 c1cncc(c1)[*:1] Fc1cc(ccc1O[*:1])CNc1ncnc2[nH]cnc12
Cc1cc(C)c(C(=O)N(C)CC(C)(C)C)c(C)c1 CC(C)(C)C[*:1] Cc1cc(C)c(C(=O)N(C)[*:1])c(C)c1
Cc1cc(C)c(C(=O)N(C)CC(C)(C)C)c(C)c1 CC(C)(C)[*:1] Cc1cc(C)c(C(=O)N(C)C[*:1])c(C)c1
C#CCNS(=O)(=O)c1cccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 C#CC[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C(C)(C)CNC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
C#CCNS(=O)(=O)c1cccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 C#CCNS(=O)(=O)[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C(C)(C)CNC(=O)c1cccc(c1)[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])c1cn(nc1-c1cccc(Cl)c1)-c1ccccc1
O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(N[*:1])c1cn(nc1-c1cccc(Cl)c1)-c1ccccc1
O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1cn(nc1[*:1])-c1ccccc1
O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1cn(nc1-c1cccc(Cl)c1)[*:1]
C/C=C/C(=O)NCCc1ccncc1 CC=C[*:1] O=C(NCCc1ccncc1)[*:1]
CC[C@@H]1CCCN1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] CC[C@@H]1CCCN1C(=O)N1CC[C@@H]([C@@H]1C)[*:1]
CCOc1ccc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1 CCOc1ccc(cc1)[*:1] Cn1c(C[C@@H](NC(=O)[*:1])c2ccccc2)nc2ccccc21
CCOc1ccc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)N[C@H](Cc1nc2ccccc2n1C)[*:1]
CCOc1ccc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1 Cn1c(nc2ccccc21)[*:1] CCOc1ccc(cc1)C(=O)N[C@H](C[*:1])c1ccccc1
CCOc1ccc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1 CCO[*:1] Cn1c(C[C@@H](NC(=O)c2ccc(cc2)[*:1])c2ccccc2)nc2ccccc21
CC(C)c1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)no1 O=[N+]([O-])[*:1] CC(C)c1cc(no1)NC(=O)c1ccn(n1)-c1cccc(c1)[*:1]
CC(C)c1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)no1 CC(C)[*:1] O=C(Nc1cc(on1)[*:1])c1ccn(n1)-c1cccc(c1)[N+](=O)[O-]
CC(C)c1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)no1 CC(C)c1cc(no1)[*:1] O=C(N[*:1])c1ccn(n1)-c1cccc(c1)[N+](=O)[O-]
Cc1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 Cc1cccc(c1)[*:1] O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)[*:1]
Cc1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 Clc1ccc(c(Cl)c1)[*:1] Cc1cccc(c1)C(=O)NNC(=O)CCC(=O)N[*:1]
C[C@]12CC[C@H]3[C@H](CCC4=C/C(=N\OCC(=O)NCc5ccncc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O O=C(C[*:1])NCc1ccncc1 C[C@]12CC[C@H]3[C@H](CCC4=C/C(CC[C@@]43C)=N\O[*:1])[C@@H]1CC[C@@H]2O
C[C@]12CC[C@H]3[C@H](CCC4=C/C(=N\OCC(=O)NCc5ccncc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O O=C(NCc1ccncc1)[*:1] C[C@]12CC[C@H]3[C@H](CCC4=C/C(CC[C@@]43C)=N\OC[*:1])[C@@H]1CC[C@@H]2O
C[C@]12CC[C@H]3[C@H](CCC4=C/C(=N\OCC(=O)NCc5ccncc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O c1cc(ccn1)[*:1] C[C@]12CC[C@H]3[C@H](CCC4=C/C(CC[C@@]43C)=N\OCC(=O)NC[*:1])[C@@H]1CC[C@@H]2O
C[C@]12CC[C@H]3[C@H](CCC4=C/C(=N\OCC(=O)NCc5ccncc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O c1cc(ccn1)C[*:1] C[C@]12CC[C@H]3[C@H](CCC4=C/C(CC[C@@]43C)=N\OCC(=O)N[*:1])[C@@H]1CC[C@@H]2O
CNC(=O)c1ccccc1NC(=O)C[C@H](O)c1cccc(F)c1 CNC(=O)[*:1] O=C(C[C@H](O)c1cccc(F)c1)Nc1ccccc1[*:1]
CNC(=O)c1ccccc1NC(=O)C[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CNC(=O)c1ccccc1NC(=O)C[C@H](O)[*:1]
CC(=O)OC[C@H]1CCCN(c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1 CC(=O)OC[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)N1CCC[C@@H](C1)[*:1]
CC(=O)OC[C@H]1CCCN(c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C1 CC(=O)O[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)N1CCC[C@@H](C1)C[*:1]
Cc1cc(C(=O)N(C)Cc2nccs2)sc1-c1cccc(Cl)c1 c1csc(n1)[*:1] Cc1cc(sc1-c1cccc(Cl)c1)C(=O)N(C)C[*:1]
Cc1cc(C(=O)N(C)Cc2nccs2)sc1-c1cccc(Cl)c1 c1csc(C[*:1])n1 Cc1cc(sc1-c1cccc(Cl)c1)C(=O)N(C)[*:1]
Cc1cc(C(=O)N(C)Cc2nccs2)sc1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1cc(sc1[*:1])C(=O)N(C)Cc1nccs1
C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(-n2cncn2)cc1 Fc1cccc(c1)C[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-n1cncn1
C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(-n2cncn2)cc1 Fc1cccc(c1)[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-n1cncn1
C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(cc1)[*:1]
Cn1nccc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 c1ccc(cc1)C[*:1] Cn1nccc1C(=O)N1CC(=O)N(C[C@H](C1)O[*:1])C1CCCCC1
Cn1nccc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 Cn1nccc1[*:1] O=C1CN(C[C@@H](CN1C1CCCCC1)OCc1ccccc1)C(=O)[*:1]
Cn1nccc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 c1ccc(cc1)[*:1] Cn1nccc1C(=O)N1CC(=O)N(C[C@H](C1)OC[*:1])C1CCCCC1
Cn1nccc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 c1ccc(cc1)CO[*:1] Cn1nccc1C(=O)N1CC(=O)N(C[C@@H](C1)[*:1])C1CCCCC1
Cn1nccc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 C1CCC(CC1)[*:1] Cn1nccc1C(=O)N1CC(=O)N(C[C@H](C1)OCc1ccccc1)[*:1]
CCCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 CCC[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)N(CC(F)(F)F)C[*:1]
CCCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 CCCC[*:1] [NH3+]C[C@@H]1CC[C@@H](O1)C(=O)N(CC(F)(F)F)[*:1]
CCCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 FC(F)(F)[*:1] CCCCN(C[*:1])C(=O)[C@H]1CC[C@@H](C[NH3+])O1
CCCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 FC(F)(F)C[*:1] CCCCN(C(=O)[C@H]1CC[C@@H](C[NH3+])O1)[*:1]
Cc1ccc(C[NH2+]Cc2ccc(F)cc2C)c(OC[C@H]2CCOC2)c1 C1C[C@@H](CO1)CO[*:1] Cc1ccc(C[NH2+]Cc2ccc(F)cc2C)c(c1)[*:1]
Cc1ccc(C[NH2+]Cc2ccc(F)cc2C)c(OC[C@H]2CCOC2)c1 C1C[C@@H](CO1)[*:1] Cc1ccc(C[NH2+]Cc2ccc(F)cc2C)c(c1)OC[*:1]
Cc1ccc(C[NH2+]Cc2ccc(F)cc2C)c(OC[C@H]2CCOC2)c1 Cc1cc(F)ccc1[*:1] Cc1ccc(C[NH2+]C[*:1])c(c1)OC[C@H]1CCOC1
Cc1ccc(C[NH2+]Cc2ccc(F)cc2C)c(OC[C@H]2CCOC2)c1 C1C[C@@H](CO1)C[*:1] Cc1ccc(C[NH2+]Cc2ccc(F)cc2C)c(c1)O[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)[C@H]1CC(=O)N(C1)c1ccc(C)c(Cl)c1)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 Cc1ccc(cc1Cl)[*:1] COc1cc(ccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1])[N+](=O)[O-]
CC[C@H](C)Cn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 Cc1cccc(c1C)[*:1] CC[C@H](C)Cn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
CC[C@H](C)Cn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 CC[C@H](C)C[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
CC[C@H](C)Cn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 CC[C@H](C)[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 O=[N+]([O-])[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])C1CCCCC1
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 O=S(=O)(/N=C1/CCCN1)[*:1] CC(=O)N[C@@H](CC1C[NH+]=c2ccccc2=1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1)[C@H](CC1C[NH+]=c2ccccc2=1)[*:1]
CC[C@H](C)NC(=O)C[NH+]1CCN(S(=O)(=O)N(C)C)CC1 CC[C@H](C)[*:1] CN(C)S(=O)(=O)N1CC[NH+](CC1)CC(=O)N[*:1]
Cc1nc(CN(CCc2ccccc2)c2ccc(O)cc2)oc1C Oc1ccc(cc1)[*:1] Cc1nc(CN(CCc2ccccc2)[*:1])oc1C
Cc1nc(CN(CCc2ccccc2)c2ccc(O)cc2)oc1C c1ccc(cc1)[*:1] Cc1nc(CN(CC[*:1])c2ccc(O)cc2)oc1C
Cc1nc(CN(CCc2ccccc2)c2ccc(O)cc2)oc1C c1ccc(cc1)C[*:1] Cc1nc(CN(C[*:1])c2ccc(O)cc2)oc1C
Cc1nc(CN(CCc2ccccc2)c2ccc(O)cc2)oc1C Cc1nc(C[*:1])oc1C Oc1ccc(cc1)N(CCc1ccccc1)[*:1]
Cc1nc(CN(CCc2ccccc2)c2ccc(O)cc2)oc1C c1ccc(cc1)CC[*:1] Cc1nc(CN(c2ccc(O)cc2)[*:1])oc1C
Cc1nc(CN(CCc2ccccc2)c2ccc(O)cc2)oc1C Cc1nc(oc1C)[*:1] Oc1ccc(cc1)N(CCc1ccccc1)C[*:1]
Cc1ccccc1C(=O)NCCC(=O)N[C@@H](c1ccccn1)C(C)C c1ccc(nc1)[*:1] Cc1ccccc1C(=O)NCCC(=O)N[C@@H](C(C)C)[*:1]
Cc1ccccc1C(=O)NCCC(=O)N[C@@H](c1ccccn1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)CCNC(=O)[*:1])c1ccccn1
Cc1ccccc1C(=O)NCCC(=O)N[C@@H](c1ccccn1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)NCCC(=O)N[C@@H](c1ccccn1)[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2occc2Br)C1 Brc1ccoc1[*:1] CC(C)C(=O)NC[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2occc2Br)C1 CC(C)C(=O)NC[*:1] O=C(c1occc1Br)N1CCC[C@@H](C1)[*:1]
CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2occc2Br)C1 CC(C)[*:1] O=C(c1occc1Br)N1CCC[C@H](CNC(=O)[*:1])C1
CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2occc2Br)C1 CC(C)C(=O)N[*:1] O=C(c1occc1Br)N1CCC[C@@H](C1)C[*:1]
CC(C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)CC(=O)Nc1ccc(cc1)O[*:1]
CC(C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)CC(=O)Nc1ccc(cc1)OC[*:1]
CC(C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 CC(C)[*:1] O=C(C[*:1])Nc1ccc(cc1)OCc1ccccc1
CC(C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 CC(C)C[*:1] O=C(Nc1ccc(cc1)OCc1ccccc1)[*:1]
CC(C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 CC(C)CC(=O)N[*:1] c1ccc(cc1)COc1ccc(cc1)[*:1]
Cc1nc(C2([NH2+]CC(=O)Nc3c(Cl)cccc3Cl)CCCCCC2)no1 Clc1cccc(Cl)c1[*:1] Cc1nc(no1)C1(CCCCCC1)[NH2+]CC(=O)N[*:1]
Cc1nc(C2([NH2+]CC(=O)Nc3c(Cl)cccc3Cl)CCCCCC2)no1 Cc1nc(no1)[*:1] O=C(C[NH2+]C1(CCCCCC1)[*:1])Nc1c(Cl)cccc1Cl
Cc1cc(C)n(-c2ccccc2NCc2cnc3ccc(C#N)cn23)n1 Cc1cc(C)n(n1)[*:1] N#Cc1ccc2ncc(CNc3ccccc3[*:1])n2c1
COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(Br)cc4)CC3)no2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccc(Br)cc1)N1CCN(CC1)Cc1noc(n1)[*:1]
COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(Br)cc4)CC3)no2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(CN2CCN(CC2)C(=O)[*:1])no1
C/C=C/C[NH+](CCC)CC1CC[NH2+]CC1 CC=C[*:1] CCC[NH+](CC1CC[NH2+]CC1)C[*:1]
C/C=C/C[NH+](CCC)CC1CC[NH2+]CC1 C/C=C/C[*:1] CCC[NH+](CC1CC[NH2+]CC1)[*:1]
C/C=C/C[NH+](CCC)CC1CC[NH2+]CC1 CCC[*:1] C/C=C/C[NH+](CC1CC[NH2+]CC1)[*:1]
C[C@@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)[*:1]
C[C@@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1 c1ccc(C[*:1])nc1 C[C@@H](NC(=O)Nc1ccc(O[*:1])c(Cl)c1)c1ccccc1
C[C@@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)Nc1ccc(OC[*:1])c(Cl)c1)c1ccccc1
C[C@@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1 c1ccc(CO[*:1])nc1 C[C@@H](NC(=O)Nc1ccc(c(Cl)c1)[*:1])c1ccccc1
C[C@@H](NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)N[*:1]
Cc1c(C(=O)N2CCC[C@@H](CO)C2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC[C@@H](CO)C1
CC[C@H](NC(=O)C(=O)Nc1ccccc1Cl)c1ncc(C)s1 Clc1ccccc1[*:1] CC[C@H](NC(=O)C(=O)N[*:1])c1ncc(C)s1
CC[C@H](NC(=O)C(=O)Nc1ccccc1Cl)c1ncc(C)s1 Cc1cnc(s1)[*:1] CC[C@H](NC(=O)C(=O)Nc1ccccc1Cl)[*:1]
O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] O=C(N[C@@H]1CC(=O)N(C1)C1CC1)c1cnc(s1)[*:1]
O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1cnc([C@H]2CCCO2)s1 C1CC1[*:1] O=C(N[C@@H]1CC(=O)N(C1)[*:1])c1cnc(s1)[C@H]1CCCO1
O=C(CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] C1CO[C@@H](C1)Cn1c(nnc1N1CCCC1)SC[*:1]
O=C(CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)[*:1]
O=C(CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)c1ccc(Cl)cc1 C1CCN(C1)[*:1] O=C(CSc1nnc(n1C[C@@H]1CCCO1)[*:1])c1ccc(Cl)cc1
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cn(C)nc1[*:1]
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cn(C)nc1-c1ccccc1 N#Cc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)Nc1cn(C)nc1-c1ccccc1
C=CCn1c(COc2ccccc2)nnc1SC1CCCCC1 c1ccc(cc1)[*:1] C=CCn1c(CO[*:1])nnc1SC1CCCCC1
C=CCn1c(COc2ccccc2)nnc1SC1CCCCC1 C1CCC(CC1)[*:1] C=CCn1c(COc2ccccc2)nnc1S[*:1]
C=CCn1c(COc2ccccc2)nnc1SC1CCCCC1 C1CCC(CC1)S[*:1] C=CCn1c(COc2ccccc2)nnc1[*:1]
C=CCn1c(COc2ccccc2)nnc1SC1CCCCC1 c1ccc(cc1)O[*:1] C=CCn1c(C[*:1])nnc1SC1CCCCC1
C=CCn1c(COc2ccccc2)nnc1SC1CCCCC1 C=CC[*:1] c1ccc(cc1)OCc1nnc(SC2CCCCC2)n1[*:1]
Cn1cc(CCCNc2cc(-n3cccn3)nc(N)n2)cn1 Cn1cc(cn1)C[*:1] Nc1nc(cc(n1)-n1cccn1)NCC[*:1]
Cn1cc(CCCNc2cc(-n3cccn3)nc(N)n2)cn1 Cn1cc(cn1)[*:1] Nc1nc(cc(n1)-n1cccn1)NCCC[*:1]
Cn1cc(CCCNc2cc(-n3cccn3)nc(N)n2)cn1 c1cnn(c1)[*:1] Cn1cc(cn1)CCCNc1cc(nc(N)n1)[*:1]
Cc1cccc(CNc2cnn(C(C)(C)C)c2)c1C CC(C)(C)[*:1] Cc1cccc(CNc2cnn(c2)[*:1])c1C
[NH3+]CCCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 [NH3+]CCC[*:1] O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[*:1]
[NH3+]CCCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 [NH3+]CC[*:1] O=C(C[*:1])NC[C@@H]1CN2CCC[C@@H]2CO1
COc1cccc([C@H](CNC(=O)c2cccn(C)c2=O)N2CCOCC2)c1 COc1cccc(c1)[*:1] Cn1cccc(C(=O)NC[C@H](N2CCOCC2)[*:1])c1=O
COc1cccc([C@H](CNC(=O)c2cccn(C)c2=O)N2CCOCC2)c1 Cn1cccc(c1=O)[*:1] COc1cccc(c1)[C@H](CNC(=O)[*:1])N1CCOCC1
COc1cccc([C@H](CNC(=O)c2cccn(C)c2=O)N2CCOCC2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)[C@H](CNC(=O)c1cccn(C)c1=O)[*:1]
FC(F)(F)c1ccc(NN2CCCCC2)cn1 FC(F)(F)[*:1] c1cc(ncc1NN1CCCCC1)[*:1]
CCOC(=O)C[C@@H]1C(=O)[NH+]=c2ccc(Br)cc2=C1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C[C@@H]1C(=O)[NH+]=c2ccc(Br)cc2=C1[*:1]
CCOC(=O)C[C@@H]1C(=O)[NH+]=c2ccc(Br)cc2=C1c1ccccc1 CCOC(=O)C[*:1] O=C1[NH+]=c2ccc(Br)cc2=C(c2ccccc2)[C@@H]1[*:1]
CCOC(=O)C[C@@H]1C(=O)[NH+]=c2ccc(Br)cc2=C1c1ccccc1 CCOC(=O)[*:1] O=C1[NH+]=c2ccc(Br)cc2=C(c2ccccc2)[C@@H]1C[*:1]
O=C(c1ccc([O-])nn1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc([O-])nn1)N1CCN(CC1)C[*:1]
O=C(c1ccc([O-])nn1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc([O-])nn1)N1CCN(CC1)[*:1]
COc1ccccc1C(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 CC(C)OC(=O)[*:1] COc1ccccc1C(=O)Nc1nc2ccc(cc2s1)[*:1]
COc1ccccc1C(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 COc1ccccc1[*:1] CC(C)OC(=O)c1ccc2nc(NC(=O)[*:1])sc2c1
COc1ccccc1C(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 CC(C)[*:1] COc1ccccc1C(=O)Nc1nc2ccc(cc2s1)C(=O)O[*:1]
Cc1c(Sc2ncn(-c3ccccc3)n2)cc(C#N)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])Sc1ncn(n1)[*:1]
Cc1c(Sc2ncn(-c3ccccc3)n2)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])Sc1ncn(n1)-c1ccccc1
CC(C)NC(=O)COC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl CC(C)NC(=O)[*:1] C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OC[*:1]
CC(C)NC(=O)COC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl CC(C)[*:1] C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)OCC(=O)N[*:1]
CC(C)NC(=O)COC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl CC(C)NC(=O)C[*:1] C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)O[*:1]
Cc1ncc(C[NH2+]C[C@H]2CCC[C@@H]2O)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ncc(C[NH2+]C[C@H]2CCC[C@@H]2O)n1[*:1]
CC(C)c1noc(NC[C@H](C)Cn2cccn2)n1 c1cnn(c1)C[*:1] CC(C)c1noc(n1)NC[C@H](C)[*:1]
CC(C)c1noc(NC[C@H](C)Cn2cccn2)n1 c1cnn(c1)[*:1] CC(C)c1noc(n1)NC[C@H](C)C[*:1]
CC(C)c1noc(NC[C@H](C)Cn2cccn2)n1 CC(C)[*:1] C[C@@H](CNc1nc(no1)[*:1])Cn1cccn1
CN(C)C(=O)[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](N[C@H]1CCCN(C[*:1])C1=O)c1ccccc1
CN(C)C(=O)[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1 CN(C)C(=O)[*:1] O=C1[C@H](CCCN1Cc1ccccc1)N[C@H](c1ccccc1)[*:1]
CN(C)C(=O)[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1 c1ccc(cc1)C[*:1] CN(C)C(=O)[C@H](N[C@H]1CCCN(C1=O)[*:1])c1ccccc1
CN(C)C(=O)[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
COCC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 COC[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)[*:1]
CC(C)N1CC[C@@H](N[C@@H](C)c2cccc(OCC(=O)N(C)C)c2)C1=O CN(C)C(=O)CO[*:1] CC(C)N1CC[C@@H](N[C@@H](C)c2cccc(c2)[*:1])C1=O
CC(C)N1CC[C@@H](N[C@@H](C)c2cccc(OCC(=O)N(C)C)c2)C1=O CC(C)[*:1] C[C@H](N[C@@H]1CCN(C1=O)[*:1])c1cccc(c1)OCC(=O)N(C)C
CC(C)N1CC[C@@H](N[C@@H](C)c2cccc(OCC(=O)N(C)C)c2)C1=O CN(C)C(=O)C[*:1] CC(C)N1CC[C@@H](N[C@@H](C)c2cccc(c2)O[*:1])C1=O
CC(C)N1CC[C@@H](N[C@@H](C)c2cccc(OCC(=O)N(C)C)c2)C1=O CN(C)C(=O)[*:1] CC(C)N1CC[C@@H](N[C@@H](C)c2cccc(c2)OC[*:1])C1=O
Cc1c(NC(=O)NCc2ccc(Cl)cc2)cccc1C(=O)N1CCOCC1 Clc1ccc(cc1)C[*:1] Cc1c(cccc1C(=O)N1CCOCC1)NC(=O)N[*:1]
Cc1c(NC(=O)NCc2ccc(Cl)cc2)cccc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1c(cccc1[*:1])NC(=O)NCc1ccc(Cl)cc1
Cc1c(NC(=O)NCc2ccc(Cl)cc2)cccc1C(=O)N1CCOCC1 Clc1ccc(cc1)[*:1] Cc1c(cccc1C(=O)N1CCOCC1)NC(=O)NC[*:1]
COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1O O=C([O-])[*:1] COc1ccc(cc1O)NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
CC(C)C[C@H]1COCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 CC(C)C[*:1] O=C(c1cccc(c1)C[NH+]1CCCC1)N1CCOC[C@@H]1[*:1]
CC(C)C[C@H]1COCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 CC(C)[*:1] O=C(c1cccc(c1)C[NH+]1CCCC1)N1CCOC[C@@H]1C[*:1]
C[C@H]([NH2+][C@H](C)CCc1ccc(F)c(F)c1)c1ccc(S(N)(=O)=O)cc1 Fc1ccc(cc1F)[*:1] C[C@H]([NH2+][C@H](C)CC[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@H]([NH2+][C@H](C)CCc1ccc(F)c(F)c1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H]([NH2+][C@H](C)CCc1ccc(F)c(F)c1)c1ccc(cc1)[*:1]
C#CC[C@H](C)OC(=O)Cc1cccc(OC(C)C)c1 C#CC[*:1] CC(C)Oc1cccc(c1)CC(=O)O[C@@H](C)[*:1]
C#CC[C@H](C)OC(=O)Cc1cccc(OC(C)C)c1 CC(C)[*:1] C#CC[C@H](C)OC(=O)Cc1cccc(c1)O[*:1]
C#CC[C@H](C)OC(=O)Cc1cccc(OC(C)C)c1 CC(C)O[*:1] C#CC[C@H](C)OC(=O)Cc1cccc(c1)[*:1]
Cc1nc(C)c(CC(=O)OCCc2ccc(Br)cc2)c(=O)[nH]1 Brc1ccc(cc1)[*:1] Cc1nc(C)c(CC(=O)OCC[*:1])c(=O)[nH]1
Cc1nn(C)c([O-])c1C(=O)Nc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] Cc1nn(C)c([O-])c1C(=O)Nc1ccccc1[*:1]
O=C(NC[C@](O)(c1cccs1)C1CC1)C(=O)NC1CCCCC1 C1CC1[*:1] O=C(NC[C@](O)(c1cccs1)[*:1])C(=O)NC1CCCCC1
O=C(NC[C@](O)(c1cccs1)C1CC1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NC[C@](O)(c1cccs1)C1CC1)C(=O)N[*:1]
O=C(NC[C@](O)(c1cccs1)C1CC1)C(=O)NC1CCCCC1 c1csc(c1)[*:1] O=C(NC[C@](O)(C1CC1)[*:1])C(=O)NC1CCCCC1
O=C(c1ccc2nsnc2c1)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1ccc2nsnc2c1)N1CCN(CC1)C(=O)[C@H]1C[C@H]1[*:1]
O=C(c1ccc2nsnc2c1)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 c1cc2nsnc2cc1[*:1] O=C([C@H]1C[C@@H]1c1cccs1)N1CCN(CC1)C(=O)[*:1]
COc1cccc(OCCNc2cc(-n3ccnc3)ncn2)c1 c1cn(cn1)[*:1] COc1cccc(c1)OCCNc1cc(ncn1)[*:1]
O=C([O-])Cc1csc(NC(=O)Cc2cc[nH]n2)n1 c1cc(n[nH]1)[*:1] O=C([O-])Cc1csc(n1)NC(=O)C[*:1]
O=C([O-])Cc1csc(NC(=O)Cc2cc[nH]n2)n1 c1cc(C[*:1])n[nH]1 O=C([O-])Cc1csc(n1)NC(=O)[*:1]
O=C([O-])Cc1csc(NC(=O)Cc2cc[nH]n2)n1 O=C([O-])C[*:1] O=C(Cc1cc[nH]n1)Nc1nc(cs1)[*:1]
O=C([O-])Cc1csc(NC(=O)Cc2cc[nH]n2)n1 O=C([O-])[*:1] O=C(Cc1cc[nH]n1)Nc1nc(cs1)C[*:1]
Cc1ccc([C@H]2CN(C(=O)c3cccs3)C[C@@H]2C(=O)N2CCc3ccccc3C2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cccs1)N1C[C@@H]([C@H](C1)C(=O)N1CCc2ccccc2C1)[*:1]
Cc1ccc([C@H]2CN(C(=O)c3cccs3)C[C@@H]2C(=O)N2CCc3ccccc3C2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)[C@H]1CN(C[C@@H]1C(=O)N1CCc2ccccc2C1)C(=O)[*:1]
CNS(=O)(=O)c1ccc(N(C)Cc2cnccn2)nc1 CNS(=O)(=O)[*:1] CN(Cc1cnccn1)c1ccc(cn1)[*:1]
CNS(=O)(=O)c1ccc(N(C)Cc2cnccn2)nc1 c1cnc(cn1)[*:1] CNS(=O)(=O)c1ccc(nc1)N(C)C[*:1]
Cc1cc(NCc2ccc(C(=O)[O-])o2)ccc1F O=C([O-])[*:1] Cc1cc(ccc1F)NCc1ccc(o1)[*:1]
O=C(CCN1CCCC1=O)Nc1cccc(C(F)(F)F)n1 O=C1CCCN1[*:1] O=C(CC[*:1])Nc1cccc(n1)C(F)(F)F
O=C(CCN1CCCC1=O)Nc1cccc(C(F)(F)F)n1 O=C1CCCN1C[*:1] O=C(C[*:1])Nc1cccc(n1)C(F)(F)F
O=C(CCN1CCCC1=O)Nc1cccc(C(F)(F)F)n1 FC(F)(F)[*:1] O=C(CCN1CCCC1=O)Nc1cccc(n1)[*:1]
CC[C@@](C)([C@@H](CC1CCOCC1)[NH2+]C)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)([C@@H](CC1CCOCC1)[NH2+]C)[*:1]
CC[C@@](C)([C@@H](CC1CCOCC1)[NH2+]C)N1CCOCC1 C1CC(CCO1)[*:1] CC[C@@](C)([C@@H](C[*:1])[NH2+]C)N1CCOCC1
O=C(CN1CCOCC1)N1CCC[C@H](c2nnc(-c3nccc4ccccc34)o2)C1 C1CN(CCO1)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1nnc(o1)-c1nccc2ccccc12
O=C(CN1CCOCC1)N1CCC[C@H](c2nnc(-c3nccc4ccccc34)o2)C1 c1ccc2c(nccc2c1)[*:1] O=C(CN1CCOCC1)N1CCC[C@@H](C1)c1nnc(o1)[*:1]
O=C(CN1CCOCC1)N1CCC[C@H](c2nnc(-c3nccc4ccccc34)o2)C1 C1CN(CCO1)C[*:1] O=C(N1CCC[C@@H](C1)c1nnc(o1)-c1nccc2ccccc12)[*:1]
COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)nc([O-])c32)cc1O Fc1ccc(cc1)C[*:1] COc1ccc(cc1O)[C@H]1CC(=O)Nc2nc(nc([O-])c21)S[*:1]
COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)nc([O-])c32)cc1O Fc1ccc(cc1)[*:1] COc1ccc(cc1O)[C@H]1CC(=O)Nc2nc(nc([O-])c21)SC[*:1]
COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)nc([O-])c32)cc1O Fc1ccc(cc1)CS[*:1] COc1ccc(cc1O)[C@H]1CC(=O)Nc2nc(nc([O-])c21)[*:1]
COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)nc([O-])c32)cc1O COc1ccc(cc1O)[*:1] O=C1C[C@@H](c2c([O-])nc(nc2N1)SCc1ccc(F)cc1)[*:1]
O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)NCc1nc[nH]n1 c1nc(n[nH]1)[*:1] O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)NC[*:1]
O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)NCc1nc[nH]n1 c1nc(C[*:1])n[nH]1 O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)N[*:1]
O=C([O-])[C@H]1Cc2[nH]c[nH+]c2CN1C(=O)NCc1nc[nH]n1 O=C([O-])[*:1] O=C(NCc1nc[nH]n1)N1Cc2[nH+]c[nH]c2C[C@@H]1[*:1]
CC[C@H](C)[C@H](C(=O)OCc1nnc2n(C)c(=O)c3ccccc3n12)N1C(=O)c2ccccc2C1=O O=C1c2ccccc2C(=O)N1[*:1] CC[C@H](C)[C@H](C(=O)OCc1nnc2n(C)c(=O)c3ccccc3n12)[*:1]
CC(C)CCNC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 CC(C)CC[*:1] C[C@@H](NC(=O)N[*:1])c1noc(Cc2ccccc2)n1
CC(C)CCNC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 CC(C)C[*:1] C[C@@H](NC(=O)NC[*:1])c1noc(Cc2ccccc2)n1
CC(C)CCNC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CC(C)CCNC(=O)N[C@H](C)c1noc(n1)[*:1]
CC(C)CCNC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 CC(C)[*:1] C[C@@H](NC(=O)NCC[*:1])c1noc(Cc2ccccc2)n1
CC(C)CCNC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)CCNC(=O)N[C@H](C)c1noc(C[*:1])n1
C#CCN1CCN(C(=O)NCCCNC(=O)c2ccc(F)cc2)CC1 C#CC[*:1] O=C(NCCCNC(=O)N1CCN(CC1)[*:1])c1ccc(F)cc1
C#CCN1CCN(C(=O)NCCCNC(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C#CCN1CCN(CC1)C(=O)NCCCNC(=O)[*:1]
O=C1C[C@H](c2nc(-c3ccc(N4CCOCC4)cc3)no2)CN1C1CCCC1 C1CN(CCO1)[*:1] O=C1C[C@@H](CN1C1CCCC1)c1nc(no1)-c1ccc(cc1)[*:1]
O=C1C[C@H](c2nc(-c3ccc(N4CCOCC4)cc3)no2)CN1C1CCCC1 C1CCC(C1)[*:1] O=C1C[C@@H](CN1[*:1])c1nc(no1)-c1ccc(cc1)N1CCOCC1
Cc1ccc(-c2n[nH]c(=O)n2/N=C/c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=c1[nH]nc(n1/N=C/c1ccccc1)[*:1]
Cc1ccc(-c2n[nH]c(=O)n2/N=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1n[nH]c(=O)n1N=C[*:1]
Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1C Cc1ccc(cc1C)[*:1] Cn1c(CN2CCOCC2)nnc1SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1C C1CN(CCO1)[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(C[*:1])n1C
Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1C C1CN(CCO1)C[*:1] Cc1ccc(cc1C)NC(=O)CSc1nnc(n1C)[*:1]
COc1ccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)c(Cl)c1 Fc1ccc(cc1)[*:1] COc1ccc(NC(=O)N2CCC(CC2)[*:1])c(Cl)c1
N#CCCSc1nnc(-c2cccs2)n1CCC(N)=O N#CCCS[*:1] NC(=O)CCn1c(nnc1[*:1])-c1cccs1
N#CCCSc1nnc(-c2cccs2)n1CCC(N)=O c1csc(c1)[*:1] N#CCCSc1nnc(n1CCC(N)=O)[*:1]
N#CCCSc1nnc(-c2cccs2)n1CCC(N)=O NC(=O)CC[*:1] N#CCCSc1nnc(-c2cccs2)n1[*:1]
N#CCCSc1nnc(-c2cccs2)n1CCC(N)=O N#CC[*:1] NC(=O)CCn1c(nnc1-c1cccs1)SC[*:1]
N#CCCSc1nnc(-c2cccs2)n1CCC(N)=O NC(=O)C[*:1] N#CCCSc1nnc(-c2cccs2)n1C[*:1]
N#CCCSc1nnc(-c2cccs2)n1CCC(N)=O N#CCC[*:1] NC(=O)CCn1c(nnc1-c1cccs1)S[*:1]
N#CCCSc1nnc(-c2cccs2)n1CCC(N)=O NC(=O)[*:1] N#CCCSc1nnc(-c2cccs2)n1CC[*:1]
C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Cl)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1Cl)[*:1]
O=C(Cc1noc(C(=O)NCc2cccc(Cl)c2)n1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1noc(n1)C(=O)NCc1cccc(Cl)c1)N[*:1]
O=C(Cc1noc(C(=O)NCc2cccc(Cl)c2)n1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1noc(n1)C(=O)NCc1cccc(Cl)c1)NC[*:1]
O=C(Cc1noc(C(=O)NCc2cccc(Cl)c2)n1)NCc1ccccc1 Clc1cccc(c1)C[*:1] O=C(Cc1noc(n1)C(=O)N[*:1])NCc1ccccc1
O=C(Cc1noc(C(=O)NCc2cccc(Cl)c2)n1)NCc1ccccc1 Clc1cccc(c1)[*:1] O=C(Cc1noc(n1)C(=O)NC[*:1])NCc1ccccc1
O=C(NC/C([O-])=N/c1nc(-c2ccco2)n[nH]1)c1cccc(Cl)c1 c1coc(c1)[*:1] O=C(NC/C([O-])=N/c1nc(n[nH]1)[*:1])c1cccc(Cl)c1
O=C(NC/C([O-])=N/c1nc(-c2ccco2)n[nH]1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NC/C([O-])=N/c1nc(n[nH]1)-c1ccco1)[*:1]
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC Cc1cccc(c1)[*:1] COc1cc(C)c(/C=C(/C#N)C(=O)N[*:1])cc1OC
CC(C)[C@H]([NH2+]Cc1cccc(CO)c1)c1ccccc1 CC(C)[*:1] OCc1cccc(c1)C[NH2+][C@H](c1ccccc1)[*:1]
CC(C)[C@H]([NH2+]Cc1cccc(CO)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H]([NH2+]Cc1cccc(c1)CO)[*:1]
O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)NC[C@@H]1CCCO1 Fc1ccccc1[*:1] O=C(CSc1nc2ccc(cc2s1)NC(=O)[*:1])NC[C@@H]1CCCO1
O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)NC[C@@H]1CCCO1 O=C(N[*:1])c1ccccc1F O=C(CSc1nc2ccc(cc2s1)[*:1])NC[C@@H]1CCCO1
C[C@H]([NH2+]CC1(O)CCCC1)[C@H](C)C(=O)[O-] C[C@H](C(=O)[O-])[*:1] C[C@H]([NH2+]CC1(O)CCCC1)[*:1]
C[C@H]([NH2+]CC1(O)CCCC1)[C@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+]CC1(O)CCCC1)[C@H](C)[*:1]
CON(C)C(=O)C[NH2+]C1(CCO)CCOCC1 OCC[*:1] CON(C)C(=O)C[NH2+]C1(CCOCC1)[*:1]
O=C(c1cnsn1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 c1nsnc1[*:1] O=C(N1CCC[C@@H]1c1ccc2OCCCOc2c1)[*:1]
CCCCc1nnc(NC(=O)C(=O)NCc2cn3ccsc3n2)s1 c1cn2cc(nc2s1)[*:1] CCCCc1nnc(NC(=O)C(=O)NC[*:1])s1
CCCCc1nnc(NC(=O)C(=O)NCc2cn3ccsc3n2)s1 CCC[*:1] O=C(NCc1cn2ccsc2n1)C(=O)Nc1nnc(C[*:1])s1
CCCCc1nnc(NC(=O)C(=O)NCc2cn3ccsc3n2)s1 CCCC[*:1] O=C(NCc1cn2ccsc2n1)C(=O)Nc1nnc(s1)[*:1]
Cc1ccc2c(c1)N(Cc1ccccc1F)C=NS2(=O)=O Fc1ccccc1[*:1] Cc1ccc2c(c1)N(C=NS2(=O)=O)C[*:1]
COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H](C)c2nc(C)cs2)cc1 COC(=O)[*:1] Cc1csc(n1)[C@H](C)NS(=O)(=O)c1ccc(C=C[*:1])cc1
COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H](C)c2nc(C)cs2)cc1 Cc1csc(n1)[*:1] COC(=O)/C=C/c1ccc(cc1)S(=O)(=O)N[C@@H](C)[*:1]
COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H](C)c2nc(C)cs2)cc1 COC(=O)C=C[*:1] Cc1csc(n1)[C@H](C)NS(=O)(=O)c1ccc(cc1)[*:1]
C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccsc1 c1cc(cs1)[*:1] C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[*:1]
O=C(CCn1cc(Br)cn1)Nc1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] O=C(CCn1cc(Br)cn1)Nc1cc(n[nH]1)[*:1]
O=C(CCn1cc(Br)cn1)Nc1cc(-c2ccccc2)n[nH]1 Brc1cnn(c1)[*:1] O=C(CC[*:1])Nc1cc(n[nH]1)-c1ccccc1
O=C(CCn1cc(Br)cn1)Nc1cc(-c2ccccc2)n[nH]1 Brc1cnn(c1)C[*:1] O=C(C[*:1])Nc1cc(n[nH]1)-c1ccccc1
Cc1c(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c([O-])n(C)c(=O)c1C#N ClC(Cl)=C[*:1] Cc1c(C(=O)[C@@H]2[C@@H](C2(C)C)[*:1])c([O-])n(C)c(=O)c1C#N
CCOCCN(C)C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 CCO[*:1] CN(CC[*:1])C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2
CCOCCN(C)C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 CCOC[*:1] CN(C[*:1])C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2
CCOCCN(C)C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 CCOCC[*:1] CN(C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)Nc1cccc(C)n1)[C@@H](c1cccnc1)N(C)C2=O Cc1cccc(n1)[*:1] COc1cc2C(=O)N(C)[C@H](c3cccnc3)[C@@H](C(=O)N[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@H](C(=O)Nc1cccc(C)n1)[C@@H](c1cccnc1)N(C)C2=O c1cncc(c1)[*:1] COc1cc2C(=O)N(C)[C@H]([C@@H](C(=O)Nc3cccc(C)n3)c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)Nc1cccc(C)n1)[C@@H](c1cccnc1)N(C)C2=O Cc1cccc(n1)NC(=O)[*:1] COc1cc2C(=O)N(C)[C@H](c3cccnc3)[C@@H](c2cc1OC)[*:1]
CCn1ccc(C(=O)N2CCO[C@H](c3c(C(=O)NCCOC)sc4ccccc34)C2)n1 CCn1ccc(n1)[*:1] COCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(CCO1)C(=O)[*:1]
CCn1ccc(C(=O)N2CCO[C@H](c3c(C(=O)NCCOC)sc4ccccc34)C2)n1 COCCNC(=O)[*:1] CCn1ccc(n1)C(=O)N1CCO[C@@H](C1)c1c(sc2ccccc12)[*:1]
CCn1ccc(C(=O)N2CCO[C@H](c3c(C(=O)NCCOC)sc4ccccc34)C2)n1 COCC[*:1] CCn1ccc(n1)C(=O)N1CCO[C@@H](C1)c1c(sc2ccccc12)C(=O)N[*:1]
CCn1ccc(C(=O)N2CCO[C@H](c3c(C(=O)NCCOC)sc4ccccc34)C2)n1 COC[*:1] CCn1ccc(n1)C(=O)N1CCO[C@@H](C1)c1c(sc2ccccc12)C(=O)NC[*:1]
N#CCSc1cccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1 c1ccc(cc1)[*:1] N#CCSc1cccc(c1)C(=O)NNc1ccc(nn1)[*:1]
N#CCSc1cccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1 N#CC[*:1] O=C(NNc1ccc(nn1)-c1ccccc1)c1cccc(c1)S[*:1]
N#CCSc1cccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1 N#CCS[*:1] O=C(NNc1ccc(nn1)-c1ccccc1)c1cccc(c1)[*:1]
CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])N(C)C(=O)c1cccc(c1)C[NH+](C)C
CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 c1ccc(cc1)C[*:1] CC[C@H](N(C)C(=O)c1cccc(c1)C[NH+](C)C)[*:1]
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1ccc(C)o1 CCOC(=O)[*:1] Cc1ccc(o1)[C@@H]1C(=C(N)Oc2[nH]nc(C)c21)[*:1]
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@H]1[*:1]
CCCNC(=O)c1ccc(NC(=O)NCc2nncn2CC)cc1 CCCNC(=O)[*:1] CCn1cnnc1CNC(=O)Nc1ccc(cc1)[*:1]
CCCNC(=O)c1ccc(NC(=O)NCc2nncn2CC)cc1 CCn1cnnc1[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)NC[*:1]
CCCNC(=O)c1ccc(NC(=O)NCc2nncn2CC)cc1 CCn1cnnc1C[*:1] CCCNC(=O)c1ccc(cc1)NC(=O)N[*:1]
CCCNC(=O)c1ccc(NC(=O)NCc2nncn2CC)cc1 CCC[*:1] CCn1cnnc1CNC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)CCC[C@H](C)NC(=O)N(C)Cc1cccs1 CC(C)CC[*:1] C[C@@H](C[*:1])NC(=O)N(C)Cc1cccs1
CC(C)CCC[C@H](C)NC(=O)N(C)Cc1cccs1 CC(C)[*:1] C[C@@H](CCC[*:1])NC(=O)N(C)Cc1cccs1
CC(C)CCC[C@H](C)NC(=O)N(C)Cc1cccs1 c1csc(c1)[*:1] CC(C)CCC[C@H](C)NC(=O)N(C)C[*:1]
CC(C)CCC[C@H](C)NC(=O)N(C)Cc1cccs1 c1csc(c1)C[*:1] CC(C)CCC[C@H](C)NC(=O)N(C)[*:1]
CC(C)CCC[C@H](C)NC(=O)N(C)Cc1cccs1 CC(C)C[*:1] C[C@@H](CC[*:1])NC(=O)N(C)Cc1cccs1
CC(C)CCC[C@H](C)NC(=O)N(C)Cc1cccs1 CC(C)CCC[*:1] C[C@H](NC(=O)N(C)Cc1cccs1)[*:1]
c1csc(CCn2cnnc2SCc2nnc(-c3cccs3)o2)c1 c1csc(c1)[*:1] c1csc(c1)CCn1cnnc1SCc1nnc(o1)[*:1]
c1csc(CCn2cnnc2SCc2nnc(-c3cccs3)o2)c1 c1csc(c1)C[*:1] c1csc(c1)-c1nnc(CSc2nncn2C[*:1])o1
c1csc(CCn2cnnc2SCc2nnc(-c3cccs3)o2)c1 c1csc(c1)CC[*:1] c1csc(c1)-c1nnc(CSc2nncn2[*:1])o1
c1csc(CCn2cnnc2SCc2nnc(-c3cccs3)o2)c1 c1csc(c1)[*:1] c1csc(c1)-c1nnc(CSc2nncn2CC[*:1])o1
COc1cc(Cl)c(C)cc1NC(=O)C[NH2+]C(C)(C)C CC(C)(C)[*:1] COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][*:1]
CC(C)(C)NC(=O)NCCCn1ccc2ccccc21 CC(C)(C)[*:1] O=C(NCCCn1ccc2ccccc21)N[*:1]
COC(=O)c1cccc(CC(=O)Nc2cc(C(C)C)n[nH]2)c1 COC(=O)[*:1] CC(C)c1cc(NC(=O)Cc2cccc(c2)[*:1])[nH]n1
COC(=O)c1cccc(CC(=O)Nc2cc(C(C)C)n[nH]2)c1 CC(C)[*:1] COC(=O)c1cccc(c1)CC(=O)Nc1cc(n[nH]1)[*:1]
Cc1ccc(N2CCOC2=O)cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 O=C1OCCN1[*:1] Cc1ccc(cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1)[*:1]
C=CCNC(=O)CCc1c(-c2ccc(Br)cc2)nc2ccccn12 C=CCNC(=O)[*:1] Brc1ccc(cc1)-c1nc2ccccn2c1CC[*:1]
C=CCNC(=O)CCc1c(-c2ccc(Br)cc2)nc2ccccn12 C=CCNC(=O)C[*:1] Brc1ccc(cc1)-c1nc2ccccn2c1C[*:1]
C=CCNC(=O)CCc1c(-c2ccc(Br)cc2)nc2ccccn12 Brc1ccc(cc1)[*:1] C=CCNC(=O)CCc1c(nc2ccccn12)[*:1]
C=CCNC(=O)CCc1c(-c2ccc(Br)cc2)nc2ccccn12 C=CC[*:1] O=C(CCc1c(nc2ccccn12)-c1ccc(Br)cc1)N[*:1]
C=CCNC(=O)CCc1c(-c2ccc(Br)cc2)nc2ccccn12 C=CCNC(=O)CC[*:1] Brc1ccc(cc1)-c1nc2ccccn2c1[*:1]
[NH3+][C@H](CCC[C@@H]1CCCO1)[C@@H]1CSCCO1 C1CO[C@@H](C1)[*:1] [NH3+][C@H](CCC[*:1])[C@@H]1CSCCO1
CCn1cc(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cn1 CCn1cc(cn1)[*:1] C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC1)C[*:1]
CCc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)NC(=O)c1cccc(c1)NC(=O)[*:1]
CCc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 CCc1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1ccco1
CCc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 O=C(N[*:1])c1ccco1 CCc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CCC(C)(C)C1CCC(NC(=O)c2c(C)noc2C)CC1 CCC(C)(C)[*:1] Cc1noc(C)c1C(=O)NC1CCC(CC1)[*:1]
CCC(C)(C)C1CCC(NC(=O)c2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] CCC(C)(C)C1CCC(CC1)NC(=O)[*:1]
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 Cc1ccc(cc1)O[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1)OCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)CO[*:1]
Cc1c(N)cccc1C(=O)NCC1(CC(C)C)CCCC1 CC(C)[*:1] Cc1c(N)cccc1C(=O)NCC1(CCCC1)C[*:1]
Cc1c(N)cccc1C(=O)NCC1(CC(C)C)CCCC1 CC(C)C[*:1] Cc1c(N)cccc1C(=O)NCC1(CCCC1)[*:1]
COc1cc(NC(=O)COc2ccccc2)ccc1NC(=O)c1cccs1 c1ccc(cc1)OC[*:1] COc1cc(ccc1NC(=O)c1cccs1)NC(=O)[*:1]
COc1cc(NC(=O)COc2ccccc2)ccc1NC(=O)c1cccs1 c1ccc(cc1)[*:1] COc1cc(ccc1NC(=O)c1cccs1)NC(=O)CO[*:1]
COc1cc(NC(=O)COc2ccccc2)ccc1NC(=O)c1cccs1 O=C(N[*:1])c1cccs1 COc1cc(ccc1[*:1])NC(=O)COc1ccccc1
COc1cc(NC(=O)COc2ccccc2)ccc1NC(=O)c1cccs1 c1csc(c1)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)COc1ccccc1
COc1cc(NC(=O)COc2ccccc2)ccc1NC(=O)c1cccs1 c1ccc(cc1)O[*:1] COc1cc(ccc1NC(=O)c1cccs1)NC(=O)C[*:1]
FC(F)c1cc(C(F)F)n2nccc2n1 FC(F)[*:1] FC(F)c1cc(n2nccc2n1)[*:1]
FC(F)c1cc(C(F)F)n2nccc2n1 FC(F)[*:1] FC(F)c1cc(nc2ccnn12)[*:1]
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCC2(C)C)c(F)c1 CC(C)[*:1] CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1ccc(cc1F)O[*:1]
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCC2(C)C)c(F)c1 CC(C)O[*:1] CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1ccc(cc1F)[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)N[C@@H]1CCc2c(O)cccc21 COc1ccccc1[*:1] C[C@H](N(C)C(=O)N[C@@H]1CCc2c(O)cccc21)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C(=O)N[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1[*:1]
O=C(N[C@H](c1ccncc1)c1ccc(Cl)cc1)C1Oc2ccccc2O1 Clc1ccc(cc1)[*:1] O=C(N[C@H](c1ccncc1)[*:1])C1Oc2ccccc2O1
O=C(N[C@H](c1ccncc1)c1ccc(Cl)cc1)C1Oc2ccccc2O1 c1cc(ccn1)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])C1Oc2ccccc2O1
COc1ccc(NC2=N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)N4CCC(C(N)=O)CC4)[C@H]3S2)cc1 COc1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(N[*:1])S[C@@H]21
COc1ccc(NC2=N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)N4CCC(C(N)=O)CC4)[C@H]3S2)cc1 NC(=O)[*:1] COc1ccc(cc1)NC1=N[C@H]2[C@@H](O)[C@H](O)C[C@H](C(=O)N3CCC(CC3)[*:1])[C@H]2S1
COCc1cccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] COCc1cccc(c1)C(=O)N[C@H](C)[*:1]
COCc1cccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c1 COC[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])c1cccc(Cl)c1
CC(C)[C@@H](Cc1ccccc1Br)NCc1nncn1C(C)C CC(C)[*:1] CC(C)[C@@H](Cc1ccccc1Br)NCc1nncn1[*:1]
CC(C)[C@@H](Cc1ccccc1Br)NCc1nncn1C(C)C Brc1ccccc1[*:1] CC(C)[C@@H](C[*:1])NCc1nncn1C(C)C
CC(C)[C@@H](Cc1ccccc1Br)NCc1nncn1C(C)C CC(C)[*:1] CC(C)n1cnnc1CN[C@H](Cc1ccccc1Br)[*:1]
Cn1cc(-c2cc(C(=O)Nc3ccc4c(c3)ncn4C3CCCCC3)on2)cn1 Cn1cc(cn1)[*:1] O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)c1cc(no1)[*:1]
Cn1cc(-c2cc(C(=O)Nc3ccc4c(c3)ncn4C3CCCCC3)on2)cn1 C1CCC(CC1)[*:1] Cn1cc(cn1)-c1cc(on1)C(=O)Nc1ccc2c(c1)ncn2[*:1]
Cc1ccc(OCC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1C NC(=O)[*:1] Cc1ccc(cc1C)OCC(=O)Nc1sc(Cc2ccccc2)c(C)c1[*:1]
Cc1ccc(OCC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)OCC(=O)Nc1sc(C[*:1])c(C)c1C(N)=O
Cc1ccc(OCC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1C Cc1ccc(cc1C)O[*:1] Cc1c(Cc2ccccc2)sc(NC(=O)C[*:1])c1C(N)=O
Cc1ccc(OCC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)OCC(=O)Nc1sc(c(C)c1C(N)=O)[*:1]
Cc1ccc(OCC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1C Cc1ccc(cc1C)[*:1] Cc1c(Cc2ccccc2)sc(NC(=O)CO[*:1])c1C(N)=O
COc1cc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc(Br)c1O Fc1ccc(cc1)[*:1] COc1cc(/C=C(/C#N)c2nc(cs2)[*:1])cc(Br)c1O
COc1ccccc1NC(=O)CCN1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)C[*:1] COc1ccccc1NC(=O)CCN1CCN(CC1)C(=O)[*:1]
COc1ccccc1NC(=O)CCN1CCN(C(=O)CC(F)(F)F)CC1 FC(F)(F)[*:1] COc1ccccc1NC(=O)CCN1CCN(CC1)C(=O)C[*:1]
COc1ccccc1NC(=O)CCN1CCN(C(=O)CC(F)(F)F)CC1 COc1ccccc1[*:1] O=C(CCN1CCN(CC1)C(=O)CC(F)(F)F)N[*:1]
COC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)ccc2C)C1 COC[*:1] Cc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
C[NH2+][C@@H](COC)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[NH2+][C@@H](COC)C(c1ccccc1)[*:1]
C[NH2+][C@@H](COC)C(c1ccccc1)c1ccccc1 COC[*:1] C[NH2+][C@@H](C(c1ccccc1)c1ccccc1)[*:1]
CCNC(=O)[C@@H](C)n1c2ccccc2c2cnn(C)c(=O)c21 CCNC(=O)[C@@H](C)[*:1] Cn1ncc2c3ccccc3n(c2c1=O)[*:1]
CCNC(=O)[C@@H](C)n1c2ccccc2c2cnn(C)c(=O)c21 CCNC(=O)[*:1] C[C@@H](n1c2ccccc2c2cnn(C)c(=O)c21)[*:1]
COc1cccc(-c2nc3ccccc3n2CC(=O)NC(C)(C)C)c1 CC(C)(C)NC(=O)C[*:1] COc1cccc(c1)-c1nc2ccccc2n1[*:1]
COc1cccc(-c2nc3ccccc3n2CC(=O)NC(C)(C)C)c1 CC(C)(C)NC(=O)[*:1] COc1cccc(c1)-c1nc2ccccc2n1C[*:1]
COc1cccc(-c2nc3ccccc3n2CC(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] COc1cccc(c1)-c1nc2ccccc2n1CC(=O)N[*:1]
COc1cccc(-c2nc3ccccc3n2CC(=O)NC(C)(C)C)c1 COc1cccc(c1)[*:1] CC(C)(C)NC(=O)Cn1c(nc2ccccc21)[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1 CC[C@H](C)[*:1] N#CCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1 N#CC[*:1] CC[C@H](C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
NC(=O)COc1cccc([C@@H]2CC(=O)N[C@@H]3[C@H]2C([O-])=Nc2nc4ccccc4n23)c1 NC(=O)[*:1] O=C1C[C@@H](c2cccc(c2)OC[*:1])[C@@H]2C([O-])=Nc3nc4ccccc4n3[C@@H]2N1
NC(=O)COc1cccc([C@@H]2CC(=O)N[C@@H]3[C@H]2C([O-])=Nc2nc4ccccc4n23)c1 NC(=O)CO[*:1] O=C1C[C@@H](c2cccc(c2)[*:1])[C@@H]2C([O-])=Nc3nc4ccccc4n3[C@@H]2N1
NC(=O)COc1cccc([C@@H]2CC(=O)N[C@@H]3[C@H]2C([O-])=Nc2nc4ccccc4n23)c1 NC(=O)C[*:1] O=C1C[C@@H](c2cccc(c2)O[*:1])[C@@H]2C([O-])=Nc3nc4ccccc4n3[C@@H]2N1
O=C(/C=C/c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1
O=C(/C=C/c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 C(=C[*:1])c1ccccc1 O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)C(=O)[*:1]
O=C(/C=C/c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
O=C(NCCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NCCCC(=O)N1CCN(CC1)c1cccc[nH+]1)N[*:1]
O=C(Cc1cnn(-c2ccccc2)c1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cnn(c1)[*:1])Oc1ccccc1
O=C(Cc1cnn(-c2ccccc2)c1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cnn(c1)-c1ccccc1)O[*:1]
CC(C)(C)c1ccc(Cn2cc(N)cn2)cc1 CC(C)(C)[*:1] Nc1cnn(c1)Cc1ccc(cc1)[*:1]
CC(C)(C)OCc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)NC[*:1]
CC(C)(C)OCc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 CC(C)(C)O[*:1] O=C(NC[C@@H]1CCCO1)Nc1ccc(cc1)C[*:1]
CC(C)(C)OCc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCCO1)Nc1ccc(cc1)CO[*:1]
CC(C)(C)OCc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 CC(C)(C)OC[*:1] O=C(NC[C@@H]1CCCO1)Nc1ccc(cc1)[*:1]
CC(C)(C)OCc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)N[*:1]
CCOC(=O)[C@@H]1[C@@H](c2cccnc2)NC(=O)N[C@@]1(O)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@@H]1[C@H](NC(=O)N[C@]1(O)[*:1])c1cccnc1
CCOC(=O)[C@@H]1[C@@H](c2cccnc2)NC(=O)N[C@@]1(O)C(F)(F)F c1cncc(c1)[*:1] CCOC(=O)[C@@H]1[C@@H](NC(=O)N[C@@]1(O)C(F)(F)F)[*:1]
CCOC(=O)[C@@H]1[C@@H](c2cccnc2)NC(=O)N[C@@]1(O)C(F)(F)F CCOC(=O)[*:1] O=C1N[C@H](c2cccnc2)[C@H]([C@@](O)(N1)C(F)(F)F)[*:1]
Cc1c(C(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)N1CCc2nc(NC(=O)NC(C)C)sc2C1
Cc1c(C(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cccc1[N+](=O)[O-] CC(C)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N1CCc2nc(NC(=O)N[*:1])sc2C1
Cc1c(C(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cccc1[N+](=O)[O-] CC(C)NC(=O)N[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N1CCc2nc(sc2C1)[*:1]
NC(=O)c1csc(CNCCc2cccnc2)c1 c1cncc(c1)[*:1] NC(=O)c1csc(c1)CNCC[*:1]
NC(=O)c1csc(CNCCc2cccnc2)c1 NC(=O)[*:1] c1cncc(c1)CCNCc1cc(cs1)[*:1]
CCCOc1ccc2ccccc2c1CN(C)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O CCCO[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)N(C)Cc1c(ccc2ccccc12)[*:1]
CCCOc1ccc2ccccc2c1CN(C)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O Fc1ccccc1[*:1] CCCOc1ccc2ccccc2c1CN(C)C(=O)c1nn(c(C)cc1=O)[*:1]
CCCOc1ccc2ccccc2c1CN(C)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O CCC[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)N(C)Cc1c(ccc2ccccc12)O[*:1]
C[NH+](C)[C@H](CNc1nc2ccccc2o1)c1ccccc1Cl Clc1ccccc1[*:1] C[NH+](C)[C@H](CNc1nc2ccccc2o1)[*:1]
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(Br)ccc1Sc1nnnn1C Cn1nnnc1S[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(Br)ccc1[*:1]
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(Br)ccc1Sc1nnnn1C Cn1nnnc1[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(Br)ccc1S[*:1]
Cc1nc(C)c(CNC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)s1 C[S@@](=O)[*:1] Cc1nc(C)c(CNC(=O)N(C)[C@H](C)c2ccc(cc2)[*:1])s1
Cc1nc(C)c(CNC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)s1 Cc1nc(C)c(C[*:1])s1 C[C@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)N[*:1]
Cc1nc(C)c(CNC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)s1 Cc1nc(C)c(s1)[*:1] C[C@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)NC[*:1]
CSCC[C@H](NC(=O)c1sc(C)nc1C)c1nnc2ccccn12 CSCC[*:1] Cc1nc(C)c(s1)C(=O)N[C@H](c1nnc2ccccn12)[*:1]
CSCC[C@H](NC(=O)c1sc(C)nc1C)c1nnc2ccccn12 Cc1nc(C)c(s1)[*:1] CSCC[C@H](NC(=O)[*:1])c1nnc2ccccn12
CSCC[C@H](NC(=O)c1sc(C)nc1C)c1nnc2ccccn12 CSC[*:1] Cc1nc(C)c(s1)C(=O)N[C@@H](C[*:1])c1nnc2ccccn12
Cc1nnc(-c2cccc(C#N)c2)n1CCc1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(-c2cccc(C#N)c2)n1CC[*:1]
Cc1nnc(-c2cccc(C#N)c2)n1CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nnc(-c2cccc(C#N)c2)n1C[*:1]
Cc1ccc(/C=C/CC(=O)N2CCC(N3CCCC3=O)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CC=C[*:1])N1CCC(CC1)N1CCCC1=O
Cc1ccc(/C=C/CC(=O)N2CCC(N3CCCC3=O)CC2)cc1 O=C1CCCN1[*:1] Cc1ccc(/C=C/CC(=O)N2CCC(CC2)[*:1])cc1
Brc1cc(CNC[C@@H](c2cccs2)[NH+]2CCCC2)cc2c1OCO2 c1csc(c1)[*:1] Brc1cc(cc2OCOc12)CNC[C@@H]([NH+]1CCCC1)[*:1]
O=C(Nc1ccccc1F)[C@H]1CCc2nc(N3CCCCC3)ncc2C1 C1CCN(CC1)[*:1] O=C(Nc1ccccc1F)[C@H]1CCc2nc(ncc2C1)[*:1]
O=C(Nc1ccccc1F)[C@H]1CCc2nc(N3CCCCC3)ncc2C1 Fc1ccccc1[*:1] O=C(N[*:1])[C@H]1CCc2nc(ncc2C1)N1CCCCC1
COC(=O)c1cccc(Nc2nc(C)nc3sc4c(c23)CCCC4)c1 COC(=O)[*:1] Cc1nc(Nc2cccc(c2)[*:1])c2c3CCCCc3sc2n1
Cc1cn2c(=O)c(C(=O)N[C@@H](CCO)C(C)C)cnc2s1 CC(C)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@@H](CCO)[*:1]
Cc1cn2c(=O)c(C(=O)N[C@@H](CCO)C(C)C)cnc2s1 CC(C)[C@H](CCO)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[*:1]
Cc1cn2c(=O)c(C(=O)N[C@@H](CCO)C(C)C)cnc2s1 OCC[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[C@@H](C(C)C)[*:1]
COc1cccc([C@@H]2C3=C([O-])CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)c1OC COc1cccc(c1OC)[*:1] CC1(C)CC2=NC3CC(C)(C)CC(=O)C=3[C@@H](C2=C([O-])C1)[*:1]
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1Cc2ccccc2O1 O=[N+]([O-])[*:1] Cc1cccc(c1S(=O)(=O)NC[C@H]1Cc2ccccc2O1)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 Cc1ccccc1[*:1] C[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 Cc1ccccc1[C@@H](C)[*:1] O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N[*:1]
O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1[*:1]
O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1C(=O)[*:1]
Cc1ccc(OC(=O)CCc2nnc(-c3ccsc3)o2)c([N+](=O)[O-])c1 c1cc(cs1)[*:1] Cc1ccc(OC(=O)CCc2nnc(o2)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(OC(=O)CCc2nnc(-c3ccsc3)o2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OC(=O)CCc2nnc(o2)-c2ccsc2)c(c1)[*:1]
Cc1nn(CCCl)c(C)c1C(=O)N1CCN(C(=O)N(C)C)CC1 ClCC[*:1] Cc1nn(c(C)c1C(=O)N1CCN(CC1)C(=O)N(C)C)[*:1]
N#Cc1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] N#Cc1c(-c2ccc(Cl)cc2)n(c(=O)n(Cc2ccccc2)c1=O)[*:1]
N#Cc1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] N#Cc1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)n(c1=O)[*:1]
N#Cc1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] N#Cc1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)n(C[*:1])c1=O
N#Cc1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O Clc1ccc(cc1)[*:1] N#Cc1c(n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O)[*:1]
N#Cc1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] N#Cc1c(-c2ccc(Cl)cc2)n(C[*:1])c(=O)n(Cc2ccccc2)c1=O
CCOc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)ccn1 CCO[*:1] CC(C)c1csc(n1)[C@@H](C#N)C(=O)c1ccnc(c1)[*:1]
CCOc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)ccn1 CC(C)[*:1] CCOc1cc(ccn1)C(=O)[C@H](C#N)c1nc(cs1)[*:1]
Cc1ccccc1N1CCN(C(=O)CCc2c(C)n[nH]c2C)[C@H](C)C1 Cc1n[nH]c(C)c1[*:1] Cc1ccccc1N1CCN(C(=O)CC[*:1])[C@H](C)C1
Cc1ccccc1N1CCN(C(=O)CCc2c(C)n[nH]c2C)[C@H](C)C1 Cc1ccccc1[*:1] Cc1n[nH]c(C)c1CCC(=O)N1CCN(C[C@H]1C)[*:1]
Cc1ccccc1N1CCN(C(=O)CCc2c(C)n[nH]c2C)[C@H](C)C1 Cc1n[nH]c(C)c1C[*:1] Cc1ccccc1N1CCN(C(=O)C[*:1])[C@H](C)C1
CCCN(C(=O)[C@@H](C)O/N=C/c1cccs1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] C[C@@H](O/N=C/c1cccs1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCN(C(=O)[C@@H](C)O/N=C/c1cccs1)[C@H]1CCS(=O)(=O)C1 c1csc(c1)[*:1] CCCN(C(=O)[C@@H](C)ON=C[*:1])[C@H]1CCS(=O)(=O)C1
CCCN(C(=O)[C@@H](C)O/N=C/c1cccs1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCN(C(=O)[C@@H](C)O/N=C/c1cccs1)[*:1]
CC1(C)CCCC[C@H]1[C@H](O)C(=O)[O-] O=C([O-])[*:1] CC1(C)CCCC[C@H]1[C@H](O)[*:1]
C=CCNc1ccc2nnc(C(F)(F)F)n2n1 C=CC[*:1] FC(F)(F)c1nnc2ccc(nn12)N[*:1]
C=CCNc1ccc2nnc(C(F)(F)F)n2n1 C=CCN[*:1] FC(F)(F)c1nnc2ccc(nn12)[*:1]
C=CCNc1ccc2nnc(C(F)(F)F)n2n1 FC(F)(F)[*:1] C=CCNc1ccc2nnc(n2n1)[*:1]
CN(C)C(=O)C(C)(C)[NH2+]CC(=O)Nc1cccc(Cl)c1Cl CN(C)C(=O)[*:1] CC(C)([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)[*:1]
C[C@H](NC(=O)N1CCC[C@@H](O)C1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)N1CCC[C@@H](O)C1)c1ccc(cc1)O[*:1]
C[C@H](NC(=O)N1CCC[C@@H](O)C1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@H](NC(=O)N1CCC[C@@H](O)C1)c1ccc(cc1)[*:1]
CC(C)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)on1 c1ccc(cc1)C[*:1] CC(C)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)[*:1])on1
CC(C)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)on1 CC(C)[*:1] O=C(NCc1cc(no1)[*:1])[C@@H]1CCCN1C(=O)Cc1ccccc1
CC(C)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)on1 c1ccc(cc1)[*:1] CC(C)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)C[*:1])on1
CC(C)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)on1 CC(C)c1cc(on1)[*:1] O=C(NC[*:1])[C@@H]1CCCN1C(=O)Cc1ccccc1
C[C@@H](CCO)SCC(=O)c1cc(Cl)sc1Cl C[C@@H](CCO)[*:1] O=C(CS[*:1])c1cc(Cl)sc1Cl
C[C@@H](CCO)SCC(=O)c1cc(Cl)sc1Cl OCC[*:1] C[C@@H](SCC(=O)c1cc(Cl)sc1Cl)[*:1]
[NH3+]CC#Cc1cc(F)cc(CSc2ccncn2)c1 c1cc(ncn1)[*:1] [NH3+]CC#Cc1cc(F)cc(c1)CS[*:1]
Cc1ccc(C)c(NC(=O)C(=O)NCC(C)(C)[C@@H](O)c2ccccc2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)(CNC(=O)C(=O)N[*:1])[C@@H](O)c1ccccc1
Cc1ccc(C)c(NC(=O)C(=O)NCC(C)(C)[C@@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)NCC(C)(C)[C@@H](O)[*:1]
CCCNc1ncc(CN2C(=O)CSC2=O)s1 CCCN[*:1] O=C1CSC(=O)N1Cc1cnc(s1)[*:1]
CCCNc1ncc(CN2C(=O)CSC2=O)s1 CCC[*:1] O=C1CSC(=O)N1Cc1cnc(N[*:1])s1
CS(=O)(=O)CC[NH2+][C@H]1CCCc2cccnc21 CS(=O)(=O)[*:1] c1cnc2c(c1)CCC[C@@H]2[NH2+]CC[*:1]
CS(=O)(=O)CC[NH2+][C@H]1CCCc2cccnc21 CS(=O)(=O)C[*:1] c1cnc2c(c1)CCC[C@@H]2[NH2+]C[*:1]
CCc1nc(CS[C@@H](C)C(N)=O)cs1 NC(=O)[*:1] CCc1nc(cs1)CS[C@@H](C)[*:1]
COCC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 COCC(=O)N[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)[*:1]
COCC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 COC[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCN(Cc1ccccn1)S(=O)(=O)c1cccs1 c1ccc(nc1)[*:1] CCN(C[*:1])S(=O)(=O)c1cccs1
CCN(Cc1ccccn1)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CCN(Cc1ccccn1)S(=O)(=O)[*:1]
COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2cc(C)ccc2C)cc1OC Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1OC)[C@@H]1CCCN1C(=O)CCC(=O)[*:1]
Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCC(N)=O)c12 NC(=O)[*:1] Cc1noc2nc(cc(C(=O)NC[*:1])c12)-c1ccccc1C(F)(F)F
Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCC(N)=O)c12 NC(=O)C[*:1] Cc1noc2nc(cc(C(=O)N[*:1])c12)-c1ccccc1C(F)(F)F
Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCC(N)=O)c12 NC(=O)CNC(=O)[*:1] Cc1noc2nc(cc(c12)[*:1])-c1ccccc1C(F)(F)F
Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCC(N)=O)c12 FC(F)(F)[*:1] Cc1noc2nc(cc(C(=O)NCC(N)=O)c12)-c1ccccc1[*:1]
CC(=O)Oc1ccc(/C=C2\N=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1OC(C)=O CC(=O)O[*:1] CC(=O)Oc1ccc(/C=C2\N=C(OC2=O)c2ccc(cc2)-c2ccccc2)cc1[*:1]
CC(=O)Oc1ccc(/C=C2\N=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1OC(C)=O CC(=O)O[*:1] CC(=O)Oc1cc(/C=C2\N=C(OC2=O)c2ccc(cc2)-c2ccccc2)ccc1[*:1]
CC(=O)Oc1ccc(/C=C2\N=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1OC(C)=O c1ccc(cc1)[*:1] CC(=O)Oc1ccc(/C=C2\N=C(OC2=O)c2ccc(cc2)[*:1])cc1OC(C)=O
Cc1nc(C)c(CNC(=O)C(=O)Nc2ccc3c(c2)CCO3)s1 Cc1nc(C)c(s1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2OCCc2c1
C[C@@H](O)CCNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 C[C@@H](O)C[*:1] O=C(Nc1ccccc1)Nc1ccc(s1)C(=O)NC[*:1]
C[C@@H](O)CCNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 C[C@@H](O)[*:1] O=C(Nc1ccccc1)Nc1ccc(s1)C(=O)NCC[*:1]
C[C@@H](O)CCNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 C[C@@H](O)CC[*:1] O=C(Nc1ccccc1)Nc1ccc(s1)C(=O)N[*:1]
C[C@@H](O)CCNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 c1ccc(cc1)[*:1] C[C@@H](O)CCNC(=O)c1ccc(NC(=O)N[*:1])s1
CCN(CC(C)(C)O)c1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)(O)C[*:1] CCN(c1ccc(cc1)S(=O)(=O)NC(C)C)[*:1]
CCN(CC(C)(C)O)c1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)(O)[*:1] CCN(C[*:1])c1ccc(cc1)S(=O)(=O)NC(C)C
CCN(CC(C)(C)O)c1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)NS(=O)(=O)[*:1] CCN(CC(C)(C)O)c1ccc(cc1)[*:1]
CCN(CC(C)(C)O)c1ccc(S(=O)(=O)NC(C)C)cc1 CC(C)[*:1] CCN(CC(C)(C)O)c1ccc(cc1)S(=O)(=O)N[*:1]
CN(Cc1nccs1)C(=O)NCc1ccnc(OCC2CC2)c1 c1csc(n1)[*:1] CN(C[*:1])C(=O)NCc1ccnc(c1)OCC1CC1
CN(Cc1nccs1)C(=O)NCc1ccnc(OCC2CC2)c1 c1csc(C[*:1])n1 CN(C(=O)NCc1ccnc(c1)OCC1CC1)[*:1]
CN(Cc1nccs1)C(=O)NCc1ccnc(OCC2CC2)c1 C1CC1C[*:1] CN(Cc1nccs1)C(=O)NCc1ccnc(c1)O[*:1]
CN(Cc1nccs1)C(=O)NCc1ccnc(OCC2CC2)c1 C1CC1[*:1] CN(Cc1nccs1)C(=O)NCc1ccnc(c1)OC[*:1]
CN(Cc1nccs1)C(=O)NCc1ccnc(OCC2CC2)c1 C1CC1CO[*:1] CN(Cc1nccs1)C(=O)NCc1ccnc(c1)[*:1]
CCn1cnc2c(-c3ccccc3)cn(CC(=O)N(C)c3ccc(F)cc3)c2c1=O Fc1ccc(cc1)[*:1] CCn1cnc2c(cn(CC(=O)N(C)[*:1])c2c1=O)-c1ccccc1
CCn1cnc2c(-c3ccccc3)cn(CC(=O)N(C)c3ccc(F)cc3)c2c1=O c1ccc(cc1)[*:1] CCn1cnc2c(cn(CC(=O)N(C)c3ccc(F)cc3)c2c1=O)[*:1]
CC[C@@](C)(NC(=O)CCSc1ccc(F)cc1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)CCSc1ccc(F)cc1)[*:1]
Cc1cc(C)n(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)n1 Cc1cc(C)n(C[*:1])n1 Cc1nnc(SCC2CS[C@@H]3[C@H](NC(=O)[*:1])C(=O)N3C=2C(=O)[O-])s1
Cc1cc(C)n(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)n1 Cc1cc(C)n(n1)[*:1] Cc1nnc(SCC2CS[C@@H]3[C@H](NC(=O)C[*:1])C(=O)N3C=2C(=O)[O-])s1
Cc1cc(C)n(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)n1 Cc1nnc(S[*:1])s1 Cc1cc(C)n(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CS[C@H]23)C[*:1])n1
Cc1cc(C)n(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)n1 Cc1nnc(SC[*:1])s1 Cc1cc(C)n(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CS[C@H]23)[*:1])n1
Cc1cc(C)n(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)n1 O=C([O-])[*:1] Cc1cc(C)n(CC(=O)N[C@@H]2C(=O)N3C(=C(CSc4nnc(C)s4)CS[C@H]23)[*:1])n1
Cc1cc(C)n(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)n1 Cc1nnc(s1)[*:1] Cc1cc(C)n(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CS[C@H]23)CS[*:1])n1
Cc1nn2c(nnc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccc(F)cc1 O=C([O-])[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)CCC[*:1])c1-c1ccc(F)cc1
Cc1nn2c(nnc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccc(F)cc1 O=C([O-])CCC[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)[*:1])c1-c1ccc(F)cc1
Cc1nn2c(nnc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccc(F)cc1 O=C([O-])CC[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)C[*:1])c1-c1ccc(F)cc1
Cc1nn2c(nnc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccc(F)cc1 O=C([O-])C[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)CC[*:1])c1-c1ccc(F)cc1
Cc1nn2c(nnc3c(=O)n(CCCC(=O)[O-])ccc32)c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)CCCC(=O)[O-])c1[*:1]
CC[C@@](C)([C@H](Cc1ncnn1C)NC)[NH+]1CCCC1 Cn1ncnc1[*:1] CC[C@@](C)([C@H](C[*:1])NC)[NH+]1CCCC1
CCc1noc([C@@H](C)Sc2nc(COc3ccc(Cl)cc3)n[nH]2)n1 CCc1noc(n1)[*:1] C[C@@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)[*:1]
CCc1noc([C@@H](C)Sc2nc(COc3ccc(Cl)cc3)n[nH]2)n1 Clc1ccc(cc1)[*:1] CCc1noc(n1)[C@@H](C)Sc1nc(CO[*:1])n[nH]1
CCc1noc([C@@H](C)Sc2nc(COc3ccc(Cl)cc3)n[nH]2)n1 Clc1ccc(cc1)O[*:1] CCc1noc(n1)[C@@H](C)Sc1nc(C[*:1])n[nH]1
CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)c2ccccc2Cn2cncn2)C1 CS(=O)(=O)[*:1] O=C(O[C@H]1CC[C@H](C1)[*:1])c1ccccc1Cn1cncn1
CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)c2ccccc2Cn2cncn2)C1 c1ncn(n1)[*:1] CS(=O)(=O)[C@@H]1CC[C@@H](C1)OC(=O)c1ccccc1C[*:1]
CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)c2ccccc2Cn2cncn2)C1 c1ncn(C[*:1])n1 CS(=O)(=O)[C@@H]1CC[C@@H](C1)OC(=O)c1ccccc1[*:1]
O=C(NC(=S)/N=c1\[nH]c2ccc(N3CCOCC3)cc2s1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC(=S)/N=c1\[nH]c2ccc(cc2s1)N1CCOCC1)[*:1]
O=C(NC(=S)/N=c1\[nH]c2ccc(N3CCOCC3)cc2s1)c1ccc(F)cc1 C1CN(CCO1)[*:1] O=C(NC(=S)/N=c1\[nH]c2ccc(cc2s1)[*:1])c1ccc(F)cc1
CCn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(C)cn23)n(C)c1=O Cc1ccc(c(C)c1)[*:1] CCn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
CC(C)c1nnc(NC(=O)c2csc3c2CC[C@@H](C)C3)s1 CC(C)[*:1] C[C@@H]1CCc2c(csc2C1)C(=O)Nc1nnc(s1)[*:1]
O=C(CCNc1cnccn1)NC1CC1 C1CC1[*:1] O=C(CCNc1cnccn1)N[*:1]
C[C@@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 c1cc2nncn2nc1[*:1] C[C@@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(CC1)[*:1]
C[C@@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 Clc1cccc(c1)C[*:1] C[C@@H](NC(=O)C1CCN(CC1)c1ccc2nncn2n1)[*:1]
C[C@@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 Clc1cccc(c1)[*:1] C[C@@H](C[*:1])NC(=O)C1CCN(CC1)c1ccc2nncn2n1
Cc1cc([C@@H](C)NC(=O)c2cn(C)nc2C(C)(C)C)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@H](NC(=O)c1cn(C)nc1C(C)(C)C)[*:1]
Cc1cc([C@@H](C)NC(=O)c2cn(C)nc2C(C)(C)C)c(C)o1 CC(C)(C)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)c1cn(C)nc1[*:1]
Cc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1C CC(C)[*:1] Cc1ccc(cc1C)C(=O)Nc1ccc(cc1)C(=O)O[*:1]
Cc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1C CC(C)OC(=O)[*:1] Cc1ccc(cc1C)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1F)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1F)[*:1]
CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1F)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@@H](NS(=O)(=O)Cc1ccccc1F)[*:1]
CC(C)c1cc(N[C@H](C)c2nc(-c3ccccn3)no2)n2nccc2n1 c1ccc(nc1)[*:1] CC(C)c1cc(N[C@H](C)c2nc(no2)[*:1])n2nccc2n1
CC(C)c1cc(N[C@H](C)c2nc(-c3ccccn3)no2)n2nccc2n1 CC(C)[*:1] C[C@@H](Nc1cc(nc2ccnn12)[*:1])c1nc(no1)-c1ccccn1
C[C@@H](Nc1nc(-c2ccncc2)nc2c1CCC2)c1ccc2c(c1)NC(=O)CO2 c1cc(ccn1)[*:1] C[C@@H](Nc1nc(nc2CCCc21)[*:1])c1ccc2OCC(=O)Nc2c1
COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C([O-])C(=O)N1CC[NH+](C)C c1cc2OCOc2cc1[*:1] COc1ccccc1[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CC[NH+](C)C
COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCO3)=C([O-])C(=O)N1CC[NH+](C)C COc1ccccc1[*:1] C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)c2ccc3OCOc3c2)[C@@H]1[*:1]
O=C(C[NH+]1CCCCCC1)NCCSc1cn[nH]n1 c1n[nH]nc1S[*:1] O=C(C[NH+]1CCCCCC1)NCC[*:1]
O=C(C[NH+]1CCCCCC1)NCCSc1cn[nH]n1 c1n[nH]nc1[*:1] O=C(C[NH+]1CCCCCC1)NCCS[*:1]
CN(C(=O)c1ccc(F)cc1)C1CCC2(CC1)OCCO2 Fc1ccc(cc1)[*:1] CN(C(=O)[*:1])C1CCC2(CC1)OCCO2
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NNC(=O)C(C)(C)C CC(C)(C)[*:1] C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[*:1]
CN(C(=O)[C@@]12CC[C@@H](c3nc(C#N)c(C#N)nc31)C2(C)C)c1ccccc1Cl Clc1ccccc1[*:1] CN(C(=O)[C@@]12CC[C@@H](c3nc(C#N)c(C#N)nc31)C2(C)C)[*:1]
CN(C)C(=O)c1ccc(CNS(=O)(=O)/C=C/c2ccccc2)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(cc1)CNS(=O)(=O)C=C[*:1]
CN(C)C(=O)c1ccc(CNS(=O)(=O)/C=C/c2ccccc2)cc1 CN(C)C(=O)[*:1] O=S(=O)(/C=C/c1ccccc1)NCc1ccc(cc1)[*:1]
CN(C)C(=O)c1ccc(CNS(=O)(=O)/C=C/c2ccccc2)cc1 C(=C[*:1])c1ccccc1 CN(C)C(=O)c1ccc(cc1)CNS(=O)(=O)[*:1]
CCOc1cccc(C[NH+]2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)c1 CCO[*:1] C[C@@H](C(=O)N1CCCCC1)N1CC[NH+](CC1)Cc1cccc(c1)[*:1]
CCOc1cccc(C[NH+]2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)c1 O=C(N1CCCCC1)[*:1] CCOc1cccc(c1)C[NH+]1CCN(CC1)[C@@H](C)[*:1]
COc1ccc(-n2ncc3c2N(CC(=O)NCc2ccco2)C(=O)N2CCCN=C32)cc1 O=C(NCc1ccco1)[*:1] COc1ccc(cc1)-n1ncc2C3=NCCCN3C(=O)N(C[*:1])c21
COc1ccc(-n2ncc3c2N(CC(=O)NCc2ccco2)C(=O)N2CCCN=C32)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)-n1ncc2C3=NCCCN3C(=O)N(CC(=O)N[*:1])c21
COc1ccc(-n2ncc3c2N(CC(=O)NCc2ccco2)C(=O)N2CCCN=C32)cc1 COc1ccc(cc1)[*:1] O=C(CN1C(=O)N2CCCN=C2c2cnn(c21)[*:1])NCc1ccco1
COc1ccc(-n2ncc3c2N(CC(=O)NCc2ccco2)C(=O)N2CCCN=C32)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-n1ncc2C3=NCCCN3C(=O)N(CC(=O)NC[*:1])c21
COc1ccc(-n2ncc3c2N(CC(=O)NCc2ccco2)C(=O)N2CCCN=C32)cc1 O=C(C[*:1])NCc1ccco1 COc1ccc(cc1)-n1ncc2C3=NCCCN3C(=O)N(c21)[*:1]
Cc1cnccc1CCN[C@H](CC1CCCCC1)c1ncccn1 Cc1cnccc1C[*:1] c1cnc(nc1)[C@@H](CC1CCCCC1)NC[*:1]
Cc1cnccc1CCN[C@H](CC1CCCCC1)c1ncccn1 c1cnc(nc1)[*:1] Cc1cnccc1CCN[C@H](CC1CCCCC1)[*:1]
Cc1cnccc1CCN[C@H](CC1CCCCC1)c1ncccn1 Cc1cnccc1[*:1] c1cnc(nc1)[C@@H](CC1CCCCC1)NCC[*:1]
Cc1cnccc1CCN[C@H](CC1CCCCC1)c1ncccn1 C1CCC(CC1)[*:1] Cc1cnccc1CCN[C@H](C[*:1])c1ncccn1
Cc1cnccc1CCN[C@H](CC1CCCCC1)c1ncccn1 C1CCC(CC1)C[*:1] Cc1cnccc1CCN[C@H](c1ncccn1)[*:1]
Cc1ccc(-c2nc3ccccc3c3nnc(S[C@H](C)C(=O)NC[C@@H]4CCCO4)n23)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnc2c3ccccc3nc(n12)[*:1])C(=O)NC[C@@H]1CCCO1
Cc1ccc(-c2nc3ccccc3c3nnc(S[C@H](C)C(=O)NC[C@@H]4CCCO4)n23)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)-c1nc2ccccc2c2nnc(S[C@H](C)C(=O)NC[*:1])n12
CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 Cn1c(nnc1[*:1])C1CC1 CN(C[*:1])C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1
CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1
CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@H]1CCC[C@@H]1[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@H]1CCC[C@H]1C[*:1]
CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2c1ccc(cc1)[*:1])c1cccc(c1)C(F)(F)F
CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@@H]2[*:1])c1cccc(c1)C(F)(F)F
CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 FC(F)(F)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2c1ccc(cc1)[N+](=O)[O-])c1cccc(c1)[*:1]
CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 FC(F)(F)c1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CC1(O)CCCCC1 OC1(CCCCC1)[*:1] C[C@H](c1ccc(cc1)S(N)(=O)=O)N(C)C(=O)C[*:1]
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CC1(O)CCCCC1 NS(=O)(=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)CC1(O)CCCCC1
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CC1(O)CCCCC1 OC1(CCCCC1)C[*:1] C[C@H](c1ccc(cc1)S(N)(=O)=O)N(C)C(=O)[*:1]
CCc1ccc2ncc3c([O-])c(C(=O)OC)sc3c2c1 COC(=O)[*:1] CCc1ccc2ncc3c([O-])c(sc3c2c1)[*:1]
Cc1cccc(NCC(=O)NC[C@H]2COc3ccccc3O2)c1C Cc1cccc(c1C)[*:1] O=C(CN[*:1])NC[C@H]1COc2ccccc2O1
CC(=O)OCCNc1nc(-c2ccccc2)nc2ccccc12 CC(=O)OCC[*:1] c1ccc(cc1)-c1nc(N[*:1])c2ccccc2n1
CC(=O)OCCNc1nc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] CC(=O)OCCNc1nc(nc2ccccc12)[*:1]
CC(=O)OCCNc1nc(-c2ccccc2)nc2ccccc12 CC(=O)OCCN[*:1] c1ccc(cc1)-c1nc(c2ccccc2n1)[*:1]
CC(=O)OCCNc1nc(-c2ccccc2)nc2ccccc12 CC(=O)OC[*:1] c1ccc(cc1)-c1nc(NC[*:1])c2ccccc2n1
CC(=O)OCCNc1nc(-c2ccccc2)nc2ccccc12 CC(=O)O[*:1] c1ccc(cc1)-c1nc(NCC[*:1])c2ccccc2n1
O=C(Nc1ccsc1)Nc1ccc2nsnc2c1 c1cc(cs1)[*:1] O=C(Nc1ccc2nsnc2c1)N[*:1]
Cc1ccc(S(=O)(=O)CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1cc(sc1NC(=O)CS(=O)(=O)[*:1])-c1ccccc1
Cc1ccc(S(=O)(=O)CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1sc(cc1C(N)=O)[*:1]
Cc1ccc(S(=O)(=O)CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1sc(cc1[*:1])-c1ccccc1
CCC1(CC)CC[NH+](CCCC(=O)OC)C1 COC(=O)C[*:1] CCC1(CC)CC[NH+](CC[*:1])C1
CCC1(CC)CC[NH+](CCCC(=O)OC)C1 COC(=O)[*:1] CCC1(CC)CC[NH+](CCC[*:1])C1
O=S(=O)(c1ccc(NC(c2ccccc2)c2ccccc2)cc1)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] c1ccc(cc1)C(Nc1ccc(cc1)[*:1])c1ccccc1
O=S(=O)(c1ccc(NC(c2ccccc2)c2ccccc2)cc1)N1CCOCC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(cc1)NC(c1ccccc1)[*:1])N1CCOCC1
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(Cc3ccccc3F)nn2)CC1 Cc1ccc(Cl)cc1[*:1] O=C(c1cn(Cc2ccccc2F)nn1)N1CCN(CC1)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(Cc3ccccc3F)nn2)CC1 Fc1ccccc1C[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cn(nn1)[*:1]
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(Cc3ccccc3F)nn2)CC1 Fc1ccccc1[*:1] Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cn(C[*:1])nn1
Cc1cccnc1CN1CCCC[C@H]1c1[nH]c(-c2cccc(F)c2)c[nH+]1 Cc1cccnc1C[*:1] Fc1cccc(c1)-c1c[nH+]c([nH]1)[C@@H]1CCCCN1[*:1]
Cc1cccnc1CN1CCCC[C@H]1c1[nH]c(-c2cccc(F)c2)c[nH+]1 Cc1cccnc1[*:1] Fc1cccc(c1)-c1c[nH+]c([nH]1)[C@@H]1CCCCN1C[*:1]
Cc1cccnc1CN1CCCC[C@H]1c1[nH]c(-c2cccc(F)c2)c[nH+]1 Fc1cccc(c1)[*:1] Cc1cccnc1CN1CCCC[C@H]1c1[nH]c(c[nH+]1)[*:1]
Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
c1ccc([C@@H]([NH2+][C@@H]2CCc3[nH]ncc3C2)C2CCCC2)cc1 c1ccc(cc1)[*:1] c1n[nH]c2CC[C@H](Cc12)[NH2+][C@@H](C1CCCC1)[*:1]
c1ccc([C@@H]([NH2+][C@@H]2CCc3[nH]ncc3C2)C2CCCC2)cc1 C1CCC(C1)[*:1] c1ccc(cc1)[C@@H]([NH2+][C@@H]1CCc2[nH]ncc2C1)[*:1]
CC(C)Oc1cccc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)n1 CC(C)(C)[*:1] CC(C)Oc1cccc(n1)C(=O)NC1CCC(CC1)C(=O)O[*:1]
CC(C)Oc1cccc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)n1 CC(C)O[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)c1cccc(n1)[*:1]
CC(C)Oc1cccc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)n1 CC(C)(C)OC(=O)[*:1] CC(C)Oc1cccc(n1)C(=O)NC1CCC(CC1)[*:1]
CC(C)Oc1cccc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)n1 CC(C)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)c1cccc(n1)O[*:1]
COC(=O)c1sccc1CN1CCOc2ccccc21 COC(=O)[*:1] c1ccc2c(c1)OCCN2Cc1ccsc1[*:1]
CC(C)NC(=O)CN(C)C(=O)OCCO OCC[*:1] CC(C)NC(=O)CN(C)C(=O)O[*:1]
CC(C)NC(=O)CN(C)C(=O)OCCO CC(C)[*:1] CN(CC(=O)N[*:1])C(=O)OCCO
COc1cc(CNC(=O)Nc2ccc(F)cc2C)ccc1OCCO OCCO[*:1] COc1cc(ccc1[*:1])CNC(=O)Nc1ccc(F)cc1C
COc1cc(CNC(=O)Nc2ccc(F)cc2C)ccc1OCCO Cc1cc(F)ccc1[*:1] COc1cc(ccc1OCCO)CNC(=O)N[*:1]
COc1cc(CNC(=O)Nc2ccc(F)cc2C)ccc1OCCO OCC[*:1] COc1cc(ccc1O[*:1])CNC(=O)Nc1ccc(F)cc1C
CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc([S@](C)=O)cc3)cc(C)nc21 CC[C@@H](C)[*:1] Cc1cc(C(=O)Nc2ccc(cc2)[S@](C)=O)c2cnn(c2n1)[*:1]
CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc([S@](C)=O)cc3)cc(C)nc21 C[S@](=O)[*:1] CC[C@@H](C)n1ncc2c(cc(C)nc21)C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)COC(=O)COc1ccc(Cl)cc1C1CCCCC1 C1CCC(CC1)[*:1] CNC(=O)COC(=O)COc1ccc(Cl)cc1[*:1]
CNC(=O)COC(=O)COc1ccc(Cl)cc1C1CCCCC1 CNC(=O)C[*:1] O=C(COc1ccc(Cl)cc1C1CCCCC1)O[*:1]
CNC(=O)COC(=O)COc1ccc(Cl)cc1C1CCCCC1 CNC(=O)[*:1] O=C(COc1ccc(Cl)cc1C1CCCCC1)OC[*:1]
O=C(c1cc2ccccc2[nH]1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 c1cc2OCOc2cc1[*:1] O=C(c1cc2ccccc2[nH]1)N1CC[C@@H]([C@H](O)C1)[*:1]
O=C(c1cc2ccccc2[nH]1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 c1ccc2[nH]c(cc2c1)[*:1] O=C(N1CC[C@@H](c2ccc3OCOc3c2)[C@H](O)C1)[*:1]
Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(c2ncnc3onc(C)c23)C1 Cc1cc(Cl)ccc1[*:1] Cc1noc2ncnc(c12)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1cc(/N=C/c2ccc(Cl)cc2)ccc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1cc(ccc1NC(=O)[*:1])/N=C/c1ccc(Cl)cc1
Cc1cc(/N=C/c2ccc(Cl)cc2)ccc1NC(=O)c1ccco1 Clc1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)c1ccco1)N=C[*:1]
Cc1cc(/N=C/c2ccc(Cl)cc2)ccc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1cc(ccc1[*:1])/N=C/c1ccc(Cl)cc1
C=C(C)[C@@H]([NH2+]C)[C@H]1CC[C@H](CC)C1 C=C(C)[*:1] CC[C@H]1CC[C@@H](C1)[C@H]([NH2+]C)[*:1]
Cn1ncnc1NC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 Cn1ncnc1[*:1] O=C(N[*:1])N(Cc1ccc2OCCc2c1)C1CCCC1
Cn1ncnc1NC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 C1CCC(C1)[*:1] Cn1ncnc1NC(=O)N(Cc1ccc2OCCc2c1)[*:1]
CCc1ccc(CC(CO)(CO)c2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] CCc1ccc(cc1)CC(CO)(CO)[*:1]
O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)N[*:1]
O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(=O)n(Cc2ccccc2)n1 O=C(N[*:1])c1cccs1 O=C(Nc1cccc(c1)[*:1])c1ccc(=O)n(Cc2ccccc2)n1
O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(=O)n(Cc2ccccc2)n1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])c1ccc(=O)n(Cc2ccccc2)n1
O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NC(=O)c1cccs1)c1ccc(=O)n(C[*:1])n1
O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(=O)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(Nc1cccc(c1)NC(=O)c1cccs1)c1ccc(=O)n(n1)[*:1]
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1c2ccccc2C[C@H]1O CC(C)(C)[*:1] CC[C@@H](C)[C@H](NC(=O)O[*:1])C(=O)N[C@H]1c2ccccc2C[C@H]1O
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1c2ccccc2C[C@H]1O CC[C@@H](C)[*:1] CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)[*:1]
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1c2ccccc2C[C@H]1O CC(C)(C)OC(=O)N[*:1] CC[C@@H](C)[C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)[*:1]
CS(=O)(=O)NCCOC(=O)c1c(F)cccc1F CS(=O)(=O)NC[*:1] O=C(OC[*:1])c1c(F)cccc1F
CS(=O)(=O)NCCOC(=O)c1c(F)cccc1F CS(=O)(=O)N[*:1] O=C(OCC[*:1])c1c(F)cccc1F
CCO[C@@]1(n2nnc3ccccc32)C=C(c2ccccc2)S[S@@]1=O c1ccc(cc1)[*:1] CCO[C@]1(C=C(S[S@@]1=O)[*:1])n1nnc2ccccc21
CCO[C@@]1(n2nnc3ccccc32)C=C(c2ccccc2)S[S@@]1=O CCO[*:1] O=[S@]1SC(=C[C@@]1(n1nnc2ccccc21)[*:1])c1ccccc1
O=C(Nc1ccc(F)c(F)c1)[C@H]1Nc2cc(F)ccc2S(=O)(=O)N1 Fc1ccc(cc1F)[*:1] O=C(N[*:1])[C@H]1Nc2cc(F)ccc2S(=O)(=O)N1
CC(C)[C@H]1C[C@@](O)(Cc2nc3ccccc3s2)CCO1 CC(C)[*:1] O[C@@]1(CCO[C@H](C1)[*:1])Cc1nc2ccccc2s1
O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccnc(C2CC2)n1 c1cc(nc(n1)C1CC1)[*:1] O=C(Nc1cccc(c1)NS(=O)(=O)c1ccccc1)[*:1]
O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccnc(C2CC2)n1 C1CC1[*:1] O=C(Nc1cccc(c1)NS(=O)(=O)c1ccccc1)c1ccnc(n1)[*:1]
O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccnc(C2CC2)n1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)NS(=O)(=O)[*:1])c1ccnc(n1)C1CC1
CC(C)N(C(=O)Cc1cccc(OCC#N)c1)c1cccc(C#N)c1 N#CCO[*:1] CC(C)N(C(=O)Cc1cccc(c1)[*:1])c1cccc(C#N)c1
CC(C)N(C(=O)Cc1cccc(OCC#N)c1)c1cccc(C#N)c1 CC(C)[*:1] N#CCOc1cccc(c1)CC(=O)N(c1cccc(C#N)c1)[*:1]
CC(C)N(C(=O)Cc1cccc(OCC#N)c1)c1cccc(C#N)c1 N#CC[*:1] CC(C)N(C(=O)Cc1cccc(c1)O[*:1])c1cccc(C#N)c1
CC(C)N(C(=O)Cc1cccc(OCC#N)c1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)N(C(=O)Cc1cccc(c1)OCC#N)[*:1]
O=C([O-])c1cc2ccc(C(F)(F)F)nc2[nH]1 FC(F)(F)[*:1] O=C([O-])c1cc2ccc(nc2[nH]1)[*:1]
O=C([O-])c1cc2ccc(C(F)(F)F)nc2[nH]1 O=C([O-])[*:1] FC(F)(F)c1ccc2cc([nH]c2n1)[*:1]
COC[C@@]1(C)CC[NH2+]C[C@@H]1c1ccccc1F COC[*:1] C[C@]1(CC[NH2+]C[C@@H]1c1ccccc1F)[*:1]
C[C@@H](C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[NH+](C)CC1 NS(=O)(=O)[*:1] C[C@@H](C[NH2+][C@H](C)c1ccc(cc1)[*:1])N1CC[NH+](C)CC1
O=C(Nc1ccn(-c2ccccc2)n1)c1scnc1C1CC1 c1ccc(cc1)[*:1] O=C(Nc1ccn(n1)[*:1])c1scnc1C1CC1
O=C(Nc1ccn(-c2ccccc2)n1)c1scnc1C1CC1 C1CC1[*:1] O=C(Nc1ccn(n1)-c1ccccc1)c1scnc1[*:1]
C[C@@H]1CN(Cc2cc(=O)n3nccc3[nH]2)[C@H](c2ccccc2)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(Cc2cc(=O)n3nccc3[nH]2)[C@H](CO1)[*:1]
Cc1ccc(C(=O)N(CC(F)F)c2cccc(Cl)c2)c(C)n1 FC(F)[*:1] Cc1ccc(C(=O)N(C[*:1])c2cccc(Cl)c2)c(C)n1
Cc1ccc(C(=O)N(CC(F)F)c2cccc(Cl)c2)c(C)n1 FC(F)C[*:1] Cc1ccc(C(=O)N(c2cccc(Cl)c2)[*:1])c(C)n1
Cc1ccc(C(=O)N(CC(F)F)c2cccc(Cl)c2)c(C)n1 Clc1cccc(c1)[*:1] Cc1ccc(C(=O)N(CC(F)F)[*:1])c(C)n1
CC(C)Cc1ccc(S(=O)(=O)NCc2ccc([S@](C)=O)cc2)cc1 CC(C)C[*:1] C[S@](=O)c1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)Cc1ccc(S(=O)(=O)NCc2ccc([S@](C)=O)cc2)cc1 CC(C)[*:1] C[S@](=O)c1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)C[*:1]
Cc1cn(CC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c2ccccc12 O=c1ccc(n[nH]1)[*:1] Cc1cn(CC(=O)Nc2cccc(c2)[*:1])c2ccccc12
Cc1cc(C)n2c(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)nnc2n1 O=C(N1CCCC1)[*:1] Cc1cc(C)n2c(nnc2n1)SCC(=O)c1c[nH]c(c1)[*:1]
O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 C1CCC(CC1)[*:1] O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(cc1)S(=O)(=O)N[*:1]
C[C@H](Cc1ccc2c(c1)OCCCO2)C(=O)[O-] O=C([O-])[*:1] C[C@H](Cc1ccc2OCCCOc2c1)[*:1]
CNC(=O)Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 CNC(=O)C[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)Nc1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 C1CCN(C1)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)NCc1ccc([nH+]c1)[*:1]
CNC(=O)Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 CNC(=O)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)Nc1ccc(cc1)C[*:1]
CC(C)CC(=O)N1CCN(C(=O)[C@@H]2C=C[C@H]([NH3+])C2)CC1 CC(C)C[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)CC(=O)N1CCN(C(=O)[C@@H]2C=C[C@H]([NH3+])C2)CC1 CC(C)[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1cc(C(=O)CSc2nncs2)c(C)c(C)c1C c1nnc(S[*:1])s1 Cc1cc(C(=O)C[*:1])c(C)c(C)c1C
Cc1cc(C(=O)CSc2nncs2)c(C)c(C)c1C c1nnc(s1)[*:1] Cc1cc(C(=O)CS[*:1])c(C)c(C)c1C
CC[C@@H](NC(=O)CCNC(=O)c1ccsc1)c1c(C)nn(C)c1C c1cc(cs1)[*:1] CC[C@@H](NC(=O)CCNC(=O)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)CCNC(=O)c1ccsc1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)CCNC(=O)c1ccsc1)[*:1]
CC[C@@H](NC(=O)CCNC(=O)c1ccsc1)c1c(C)nn(C)c1C O=C(N[*:1])c1ccsc1 CC[C@@H](NC(=O)CC[*:1])c1c(C)nn(C)c1C
Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c(C)c1 Brc1ccc(c(Br)c1)[*:1] Cc1ccc(OCC(=O)NNC(=O)CO[*:1])c(C)c1
Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(COc1ccc(Br)cc1Br)NNC(=O)CO[*:1]
CC(C)n1cc2cc(NC(=O)C(=O)N[C@@H](C)[C@H]3CN(C)CCO3)ccc2n1 CC(C)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2nn(cc2c1)[*:1])[C@H]1CN(C)CCO1
COC[C@@H](Nc1ccc(C(=O)Nc2ccc(C)cc2)cn1)c1ccc(C)o1 Cc1ccc(cc1)[*:1] COC[C@@H](Nc1ccc(cn1)C(=O)N[*:1])c1ccc(C)o1
COC[C@@H](Nc1ccc(C(=O)Nc2ccc(C)cc2)cn1)c1ccc(C)o1 COC[*:1] Cc1ccc(cc1)NC(=O)c1ccc(nc1)N[C@@H](c1ccc(C)o1)[*:1]
COC[C@@H](Nc1ccc(C(=O)Nc2ccc(C)cc2)cn1)c1ccc(C)o1 Cc1ccc(o1)[*:1] COC[C@@H](Nc1ccc(cn1)C(=O)Nc1ccc(C)cc1)[*:1]
C[C@H]1CCC[C@@H](NC(=O)NNC(=O)[C@@H]2CCCO2)[C@@H]1C C1CO[C@@H](C1)[*:1] C[C@H]1CCC[C@@H](NC(=O)NNC(=O)[*:1])[C@@H]1C
COc1cccc(/C=C(\C(C)=O)[N+](=O)[O-])c1OC CC(=O)[*:1] COc1cccc(/C=C(/[N+](=O)[O-])[*:1])c1OC
COc1cccc(/C=C(\C(C)=O)[N+](=O)[O-])c1OC O=[N+]([O-])[*:1] COc1cccc(C=C(C(C)=O)[*:1])c1OC
O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1ccccc1F O=C(C[*:1])Nc1ccccc1F O=c1c2oc3ccccc3c2n(c(=O)n1CCc1ccccc1)[*:1]
O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1ccccc1F c1ccc(cc1)CC[*:1] O=C(Cn1c(=O)n(c(=O)c2oc3ccccc3c21)[*:1])Nc1ccccc1F
O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1ccccc1F c1ccc(cc1)C[*:1] O=C(Cn1c(=O)n(C[*:1])c(=O)c2oc3ccccc3c21)Nc1ccccc1F
O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(Cn1c(=O)n(CC[*:1])c(=O)c2oc3ccccc3c21)Nc1ccccc1F
O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] O=c1c2oc3ccccc3c2n(C[*:1])c(=O)n1CCc1ccccc1
O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)N[*:1]
C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1[*:1]
C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 Clc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccccc1C(=O)N1CCCC1
C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 Clc1ccc(cc1)O[*:1] C[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)[*:1]
O=C(OCc1ccccc1)c1cc(Cl)nc(Cl)c1O c1ccc(cc1)[*:1] O=C(OC[*:1])c1cc(Cl)nc(Cl)c1O
C[C@@H](OC(=O)C1(c2cccc(Cl)c2)CCOCC1)c1ccccn1 C[C@@H](c1ccccn1)[*:1] O=C(O[*:1])C1(CCOCC1)c1cccc(Cl)c1
C[C@@H](OC(=O)C1(c2cccc(Cl)c2)CCOCC1)c1ccccn1 Clc1cccc(c1)[*:1] C[C@@H](OC(=O)C1(CCOCC1)[*:1])c1ccccn1
C[C@@H](OC(=O)C1(c2cccc(Cl)c2)CCOCC1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](OC(=O)C1(CCOCC1)c1cccc(Cl)c1)[*:1]
COc1ccccc1-c1nnc(SCC(F)F)n1-c1ccc(C)cc1 FC(F)CS[*:1] COc1ccccc1-c1nnc(n1-c1ccc(C)cc1)[*:1]
COc1ccccc1-c1nnc(SCC(F)F)n1-c1ccc(C)cc1 FC(F)C[*:1] COc1ccccc1-c1nnc(S[*:1])n1-c1ccc(C)cc1
COc1ccccc1-c1nnc(SCC(F)F)n1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1-c1nnc(SCC(F)F)n1[*:1]
COc1ccccc1-c1nnc(SCC(F)F)n1-c1ccc(C)cc1 COc1ccccc1[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(F)F
COc1ccccc1-c1nnc(SCC(F)F)n1-c1ccc(C)cc1 FC(F)[*:1] COc1ccccc1-c1nnc(SC[*:1])n1-c1ccc(C)cc1
O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1ccc(F)cc1 c1csc(c1)[*:1] O=C(NCc1ccc(s1)[C@H](O)[*:1])c1ccc(F)cc1
O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1ccc(s1)[C@H](O)c1cccs1)[*:1]
COc1cccc2c1OC[C@H](NC(=O)[C@@H](C)NC(=O)C1CCCCC1)C2 C1CCC(CC1)[*:1] COc1cccc2C[C@H](COc21)NC(=O)[C@@H](C)NC(=O)[*:1]
CCN(C(=O)c1cn(-c2ccc(Cl)cc2)nc1C)[C@H](C)c1cccnc1 c1cncc(c1)[*:1] CCN(C(=O)c1cn(nc1C)-c1ccc(Cl)cc1)[C@H](C)[*:1]
CCN(C(=O)c1cn(-c2ccc(Cl)cc2)nc1C)[C@H](C)c1cccnc1 Clc1ccc(cc1)[*:1] CCN(C(=O)c1cn(nc1C)[*:1])[C@H](C)c1cccnc1
CCN(C(=O)c1cn(-c2ccc(Cl)cc2)nc1C)[C@H](C)c1cccnc1 C[C@H](c1cccnc1)[*:1] CCN(C(=O)c1cn(nc1C)-c1ccc(Cl)cc1)[*:1]
CN(C)c1nc(COc2cccc3c2CCCC3=O)ns1 CN(C)[*:1] O=C1CCCc2c(cccc21)OCc1nsc(n1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(C)nc2)C1 CC(=O)N[*:1] Cc1ccc(cn1)CC(=O)N1CCC[C@@H](C1)[*:1]
Cc1[nH+]ccn1CCC(=O)N1CCO[C@H](C(=O)N2CCCCC2)C1 O=C(N1CCCCC1)[*:1] Cc1[nH+]ccn1CCC(=O)N1CCO[C@H](C1)[*:1]
COCCCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nc2c(sc3ccccc32)c1=O COCCC[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CSc1nc2c(sc3ccccc32)c(=O)n1[*:1]
COCCCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nc2c(sc3ccccc32)c1=O COC[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CC[*:1]
COCCCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nc2c(sc3ccccc32)c1=O COCC[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CSc1nc2c(sc3ccccc32)c(=O)n1C[*:1]
N#CCCN(C(=O)N1CCOCC1)c1ccccc1 N#CCC[*:1] O=C(N1CCOCC1)N(c1ccccc1)[*:1]
N#CCCN(C(=O)N1CCOCC1)c1ccccc1 N#CC[*:1] O=C(N1CCOCC1)N(C[*:1])c1ccccc1
N#CCCN(C(=O)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] N#CCCN(C(=O)N1CCOCC1)[*:1]
COc1ccc(N(C(=O)c2ccc(NC=O)cc2)[C@H](C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)N(C(=O)c1ccc(cc1)NC=O)[C@H](C)[*:1]
COc1ccc(N(C(=O)c2ccc(NC=O)cc2)[C@H](C)C2CC2)cc1 O=CN[*:1] COc1ccc(cc1)N(C(=O)c1ccc(cc1)[*:1])[C@H](C)C1CC1
COc1ccc(N(C(=O)c2ccc(NC=O)cc2)[C@H](C)C2CC2)cc1 COc1ccc(cc1)[*:1] C[C@H](C1CC1)N(C(=O)c1ccc(cc1)NC=O)[*:1]
N#C/C=C(/c1ccc(F)cc1)N1CCCN(C(=O)Oc2ccccc2)CC1 c1ccc(cc1)[*:1] N#C/C=C(/c1ccc(F)cc1)N1CCCN(CC1)C(=O)O[*:1]
N#C/C=C(/c1ccc(F)cc1)N1CCCN(C(=O)Oc2ccccc2)CC1 Fc1ccc(cc1)[*:1] N#C/C=C(\N1CCCN(CC1)C(=O)Oc1ccccc1)[*:1]
COc1nc(NCC(C)(C)C[C@@H](C)O)nc(N2CCCCCC2)n1 C1CCCN(CC1)[*:1] COc1nc(nc(n1)[*:1])NCC(C)(C)C[C@@H](C)O
COc1cccc(CC(=O)N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)c1 COc1cccc(c1)C[*:1] O=C(N1CCN(CC1)c1ccc(F)cc1[N+](=O)[O-])[*:1]
COc1cccc(CC(=O)N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)c1ccc(F)cc1[*:1]
COc1cccc(CC(=O)N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(F)cc1[N+](=O)[O-]
CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(C)cc2Br)CC1 Cc1ccc(c(Br)c1)[*:1] CC(=O)N1CCN(CC1)C(=O)CCC(=O)N[*:1]
Cc1cc(CN2CCOC[C@H]2C#N)c(C)n1Cc1ccco1 c1coc(c1)[*:1] Cc1cc(CN2CCOC[C@H]2C#N)c(C)n1C[*:1]
Cc1cc(CN2CCOC[C@H]2C#N)c(C)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1cc(CN2CCOC[C@H]2C#N)c(C)n1[*:1]
CC1(C)[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@H]1C(=O)[O-] c1ccc(cc1)C[*:1] CC1(C)[C@@H](C(=O)N2CCN(CC2)[*:1])[C@H]1C(=O)[O-]
CC1(C)[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@H]1C(=O)[O-] c1ccc(cc1)[*:1] CC1(C)[C@@H](C(=O)N2CCN(CC2)C[*:1])[C@H]1C(=O)[O-]
CCSc1nnc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2)s1 COc1ccc(cc1)[*:1] CCSc1nnc(NC(=O)[C@@H]2CCC(=O)N([C@@H]2c2ccccc2)[*:1])s1
CCSc1nnc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2)s1 CCS[*:1] COc1ccc(cc1)N1C(=O)CC[C@@H](C(=O)Nc2nnc(s2)[*:1])[C@H]1c1ccccc1
CCSc1nnc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2)s1 c1ccc(cc1)[*:1] CCSc1nnc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(cc3)OC)[C@H]2[*:1])s1
CCSc1nnc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2)s1 CCSc1nnc(s1)[*:1] COc1ccc(cc1)N1C(=O)CC[C@@H](C(=O)N[*:1])[C@H]1c1ccccc1
CCC/C(=N\NC(=O)c1ccc(NC(=O)CC)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCCC(=NNC(=O)c1ccc(cc1)NC(=O)CC)[*:1]
CCC/C(=N\NC(=O)c1ccc(NC(=O)CC)cc1)c1ccccc1 CCC(=O)N[*:1] CCC/C(=N\NC(=O)c1ccc(cc1)[*:1])c1ccccc1
CCC/C(=N\NC(=O)c1ccc(NC(=O)CC)cc1)c1ccccc1 CCC[*:1] CCC(=O)Nc1ccc(cc1)C(=O)N/N=C(/c1ccccc1)[*:1]
Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(F)cc1 Clc1cc(Cl)cc(c1)[*:1] Cn1c(nnc1-c1ccc(F)cc1)SCC(=O)N[*:1]
Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1cc(Cl)cc(Cl)c1
O=C1N=CN=C2C1=NCN2[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](O)[C@@H]1O O=C(O[*:1])c1ccccc1 O=C1N=CN=C2C1=NCN2[C@@H]1O[C@@H](C[*:1])[C@@H](O)[C@@H]1O
O=C1N=CN=C2C1=NCN2[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](O)[C@@H]1O c1ccc(cc1)[*:1] O=C1N=CN=C2C1=NCN2[C@@H]1O[C@@H](COC(=O)[*:1])[C@@H](O)[C@@H]1O
O=S(=O)(Cc1csc(-c2ccco2)n1)c1ccc2ccccc2c1 c1coc(c1)[*:1] O=S(=O)(Cc1csc(n1)[*:1])c1ccc2ccccc2c1
Cc1ccc(CSc2nnc(N/N=C/c3ccc(Cl)cc3)[nH]2)cc1 Cc1ccc(cc1)C[*:1] Clc1ccc(/C=N/Nc2nnc([nH]2)S[*:1])cc1
Cc1ccc(CSc2nnc(N/N=C/c3ccc(Cl)cc3)[nH]2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)CSc1nnc(NN=C[*:1])[nH]1
Cc1ccc(CSc2nnc(N/N=C/c3ccc(Cl)cc3)[nH]2)cc1 Cc1ccc(cc1)[*:1] Clc1ccc(/C=N/Nc2nnc([nH]2)SC[*:1])cc1
COCc1cccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)c1 c1ccc(cc1)[*:1] COCc1cccc(c1)N[C@@H](C)c1nnc(o1)[*:1]
COCc1cccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)c1 COC[*:1] C[C@H](Nc1cccc(c1)[*:1])c1nnc(o1)-c1ccccc1
Cc1cnc2c(S(=O)(=O)N(C)Cc3cnn(-c4ccccc4)c3)cccc2c1 c1ccc(cc1)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N(C)Cc1cnn(c1)[*:1]
CC[C@@H](C)[C@H](O)CNC(=O)N[C@@H](C)c1cc(C)c(F)c(C)c1 CC[C@@H](C)[*:1] Cc1cc(cc(C)c1F)[C@H](C)NC(=O)NC[C@@H](O)[*:1]
CC[C@@H](C)[C@H](O)CNC(=O)N[C@@H](C)c1cc(C)c(F)c(C)c1 CC[C@@H](C)[C@H](O)C[*:1] Cc1cc(cc(C)c1F)[C@H](C)NC(=O)N[*:1]
CC[C@@H](C)[C@H](O)CNC(=O)N[C@@H](C)c1cc(C)c(F)c(C)c1 CC[C@@H](C)[C@H](O)[*:1] Cc1cc(cc(C)c1F)[C@H](C)NC(=O)NC[*:1]
O=C(NCC(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccc(C(F)(F)F)cc1 Fc1ccc(cc1)[*:1] O=C(NCC(=O)N(C[*:1])C1CC1)c1ccc(cc1)C(F)(F)F
O=C(NCC(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccc(C(F)(F)F)cc1 C1CC1[*:1] O=C(NCC(=O)N(Cc1ccc(F)cc1)[*:1])c1ccc(cc1)C(F)(F)F
O=C(NCC(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCC(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccc(cc1)[*:1]
O=C(NCC(=O)N(Cc1ccc(F)cc1)C1CC1)c1ccc(C(F)(F)F)cc1 Fc1ccc(cc1)C[*:1] O=C(NCC(=O)N(C1CC1)[*:1])c1ccc(cc1)C(F)(F)F
CCc1ccc2nc(NC(=O)c3ncccc3C(F)(F)F)sc2c1 FC(F)(F)[*:1] CCc1ccc2nc(NC(=O)c3ncccc3[*:1])sc2c1
CC[C@@](C)(NC(=O)Cn1cnc2ccccc21)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)Cn1cnc2ccccc21)[*:1]
CN(C)S(=O)(=O)c1ccc(SCc2ccc(-c3ccccc3)cc2)nc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(nc1)SCc1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(SCc2ccc(-c3ccccc3)cc2)nc1 CN(C)S(=O)(=O)[*:1] c1ccc(cc1)-c1ccc(cc1)CSc1ccc(cn1)[*:1]
C[C@@H](c1ccsc1)N(C)CC(C)(C)C[NH3+] CC(C)(C[NH3+])[*:1] C[C@@H](c1ccsc1)N(C)C[*:1]
C[C@@H](c1ccsc1)N(C)CC(C)(C)C[NH3+] c1cc(cs1)[*:1] C[C@@H](N(C)CC(C)(C)C[NH3+])[*:1]
CC(=O)N(C)CC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C CC(=O)N(C)C[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)[*:1]
CC(=O)N(C)CC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C CC(=O)N(C)[*:1] C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)[O-])CC3)s2)o1 Cc1ccc(o1)[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)C(=O)[O-])[*:1]
Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)[O-])CC3)s2)o1 O=C([O-])[*:1] Cc1ccc(o1)-c1nc(C)c(s1)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(-n2c(SCc3nc(C)no3)nc3sc4c(c3c2=O)CCC4)cc1 Cc1noc(CS[*:1])n1 Cc1ccc(cc1)-n1c(nc2sc3CCCc3c2c1=O)[*:1]
Cc1ccc(-n2c(SCc3nc(C)no3)nc3sc4c(c3c2=O)CCC4)cc1 Cc1ccc(cc1)[*:1] Cc1noc(CSc2nc3sc4CCCc4c3c(=O)n2[*:1])n1
Cc1ccc(-n2c(SCc3nc(C)no3)nc3sc4c(c3c2=O)CCC4)cc1 Cc1noc(n1)[*:1] Cc1ccc(cc1)-n1c(nc2sc3CCCc3c2c1=O)SC[*:1]
Cc1ccc(-n2c(SCc3nc(C)no3)nc3sc4c(c3c2=O)CCC4)cc1 Cc1noc(C[*:1])n1 Cc1ccc(cc1)-n1c(nc2sc3CCCc3c2c1=O)S[*:1]
CC1(C)CN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)C1(C)C FC(F)(F)[*:1] CC1(C)CN(C(=O)CNC(=O)c2ccc(cc2)[*:1])C1(C)C
C[C@@H](C(=O)NN)[C@@H](C)Sc1ccncn1 NNC(=O)[*:1] C[C@@H]([C@@H](C)Sc1ccncn1)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1coc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)Cc1coc(n1)[*:1]
C[C@@H]1CCN(C(=O)CCCNC(=O)c2ccccc2)C[C@H]1O c1ccc(cc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)CCCNC(=O)[*:1]
CC(C)c1ocnc1CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O CC(C)[*:1] O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1ncoc1[*:1]
CC(C)c1ocnc1CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O CC(C)c1ocnc1[*:1] O=C1N[C@@]2(CCc3ccccc32)C(=O)N1C[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc2c(c1)NC(=O)CS2 c1ccc(cc1)[*:1] Cc1cnn(c1NC(=O)c1ccc2SCC(=O)Nc2c1)[*:1]
O=C(N[C@@H](CCO)C(=O)[O-])c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] O=C(N[C@@H](CCO)C(=O)[O-])c1cccc(c1F)[*:1]
O=C(N[C@@H](CCO)C(=O)[O-])c1cccc(C(F)(F)F)c1F O=C([O-])[*:1] O=C(N[C@@H](CCO)[*:1])c1cccc(c1F)C(F)(F)F
O=C(N[C@@H](CCO)C(=O)[O-])c1cccc(C(F)(F)F)c1F OCC[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])c1cccc(c1F)C(F)(F)F
COC[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2)C1 COC[*:1] O=C(COc1ccc(Br)cc1)N1CCC[C@H](C1)[*:1]
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(Cl)c[nH]1 Clc1c[nH]c(c1)[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[*:1]
Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)c12 C1CC1[*:1] Cc1noc2nc(cc(C(=O)N3CCN(CC3)S(=O)(=O)c3cccs3)c12)[*:1]
Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)c12 c1csc(c1)[*:1] Cc1noc2nc(cc(C(=O)N3CCN(CC3)S(=O)(=O)[*:1])c12)C1CC1
CO[C@H](CNC(=O)C(C)(C)c1cccc(F)c1)c1ccc(F)cc1 Fc1cccc(c1)[*:1] CO[C@H](CNC(=O)C(C)(C)[*:1])c1ccc(F)cc1
CO[C@H](CNC(=O)C(C)(C)c1cccc(F)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)C(C)(C)c1cccc(F)c1)[*:1]
CC(C)[C@H]1CS(=O)(=O)CC[C@H](C)[NH2+]1 CC(C)[*:1] C[C@H]1CCS(=O)(=O)C[C@@H]([NH2+]1)[*:1]
Cc1ccc(/C=C/C(=O)Nc2cc(F)c(F)cc2F)o1 Cc1ccc(o1)[*:1] O=C(C=C[*:1])Nc1cc(F)c(F)cc1F
CC(=O)N1CC[C@H](c2nc(C)cc(Oc3ccccc3C)n2)C1 Cc1ccccc1[*:1] CC(=O)N1CC[C@@H](C1)c1nc(C)cc(n1)O[*:1]
Cc1nn(-c2ccccc2)cc1CN(CC(F)F)C1CC1 FC(F)C[*:1] Cc1nn(cc1CN(C1CC1)[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)cc1CN(CC(F)F)C1CC1 c1ccc(cc1)[*:1] Cc1nn(cc1CN(CC(F)F)C1CC1)[*:1]
Cc1nn(-c2ccccc2)cc1CN(CC(F)F)C1CC1 C1CC1[*:1] Cc1nn(cc1CN(CC(F)F)[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)cc1CN(CC(F)F)C1CC1 FC(F)[*:1] Cc1nn(cc1CN(C[*:1])C1CC1)-c1ccccc1
CN(C)C(=O)CCNC(=O)NCc1cccnc1-n1cccn1 c1cnn(c1)[*:1] CN(C)C(=O)CCNC(=O)NCc1cccnc1[*:1]
CN(C)C(=O)CCNC(=O)NCc1cccnc1-n1cccn1 CN(C)C(=O)CC[*:1] O=C(NCc1cccnc1-n1cccn1)N[*:1]
CN(C)C(=O)CCNC(=O)NCc1cccnc1-n1cccn1 CN(C)C(=O)[*:1] O=C(NCC[*:1])NCc1cccnc1-n1cccn1
CN(C)C(=O)CCNC(=O)NCc1cccnc1-n1cccn1 CN(C)C(=O)C[*:1] O=C(NCc1cccnc1-n1cccn1)NC[*:1]
COCC[NH2+]Cc1ccn(Cc2ccc(O)cc2)n1 COC[*:1] Oc1ccc(cc1)Cn1ccc(C[NH2+]C[*:1])n1
COCC[NH2+]Cc1ccn(Cc2ccc(O)cc2)n1 COCC[*:1] Oc1ccc(cc1)Cn1ccc(C[NH2+][*:1])n1
Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1nc2[C@H](CCCn2n1)[NH2+][C@@H]1CCC[C@H]1[*:1]
Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc2[C@H](CCCn2n1)[NH2+][C@@H]1CCC[C@@H]1C[*:1]
Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2[C@H](CCCn2n1)[NH2+][C@@H]1CCC[C@@H]1CC[*:1]
CC(=O)N1CCCN(CC[NH3+])CC1 [NH3+]CC[*:1] CC(=O)N1CCCN(CC1)[*:1]
CC(C)n1cc(Br)cc1C(=O)N(C)CCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)n1cc(Br)cc1C(=O)N(C)CC[*:1]
CC(C)n1cc(Br)cc1C(=O)N(C)CCc1ccc(F)cc1 CC(C)[*:1] CN(CCc1ccc(F)cc1)C(=O)c1cc(Br)cn1[*:1]
CCOc1ccc(-n2c(-c3cccnc3)nn(C[NH+]3CCCC3)c2=S)cc1 CCOc1ccc(cc1)[*:1] S=c1n(C[NH+]2CCCC2)nc(-c2cccnc2)n1[*:1]
CCOc1ccc(-n2c(-c3cccnc3)nn(C[NH+]3CCCC3)c2=S)cc1 CCO[*:1] S=c1n(C[NH+]2CCCC2)nc(-c2cccnc2)n1-c1ccc(cc1)[*:1]
CCOc1ccc(-n2c(-c3cccnc3)nn(C[NH+]3CCCC3)c2=S)cc1 c1cncc(c1)[*:1] CCOc1ccc(cc1)-n1c(nn(C[NH+]2CCCC2)c1=S)[*:1]
CCCn1c(=O)n(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c2ccccc21 CCC[*:1] O=C(Cn1c(=O)n(c2ccccc21)[*:1])Nc1nc(cs1)C[NH+]1CCCCC1
CC(C)(NC(=O)CN1CCCOC1=O)c1nccs1 c1csc(n1)[*:1] CC(C)(NC(=O)CN1CCCOC1=O)[*:1]
Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1ccccc1OCC(=O)[O-] O=C([O-])CO[*:1] Cc1c(nc(N)c(C#N)c1-c1ccccc1[*:1])-c1ccc(O)cc1
Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1ccccc1OCC(=O)[O-] Oc1ccc(cc1)[*:1] Cc1c(nc(N)c(C#N)c1-c1ccccc1OCC(=O)[O-])[*:1]
Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1ccccc1OCC(=O)[O-] O=C([O-])C[*:1] Cc1c(nc(N)c(C#N)c1-c1ccccc1O[*:1])-c1ccc(O)cc1
Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1ccccc1OCC(=O)[O-] O=C([O-])[*:1] Cc1c(nc(N)c(C#N)c1-c1ccccc1OC[*:1])-c1ccc(O)cc1
Cc1cc(C)c(NC(=O)c2cccn(OCc3ccccc3)c2=O)c(C)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(NC(=O)c2cccn(O[*:1])c2=O)c(C)c1
Cc1cc(C)c(NC(=O)c2cccn(OCc3ccccc3)c2=O)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)c2cccn(OC[*:1])c2=O)c(C)c1
Cc1cc(C)c(NC(=O)c2cccn(OCc3ccccc3)c2=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(N[*:1])c1cccn(OCc2ccccc2)c1=O
C[C@@H](C#N)N1CCN(C(=O)Cc2ccc(F)cc2F)CC1 C[C@@H](C#N)[*:1] O=C(Cc1ccc(F)cc1F)N1CCN(CC1)[*:1]
CC[C@H]1CCCCN1C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] CC[C@H]1CCCCN1C(=O)N[C@@H](c1ncon1)[*:1]
CC[C@H]1CCCCN1C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] CC[C@H]1CCCCN1C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1ccc(CNC(=O)[C@H]2CSC(=O)N2)c(OCC2CC2)c1 C1CC1C[*:1] Cc1ccc(CNC(=O)[C@H]2CSC(=O)N2)c(c1)O[*:1]
Cc1ccc(CNC(=O)[C@H]2CSC(=O)N2)c(OCC2CC2)c1 C1CC1[*:1] Cc1ccc(CNC(=O)[C@H]2CSC(=O)N2)c(c1)OC[*:1]
Cc1ccc(CNC(=O)[C@H]2CSC(=O)N2)c(OCC2CC2)c1 C1CC1CO[*:1] Cc1ccc(CNC(=O)[C@H]2CSC(=O)N2)c(c1)[*:1]
CCOC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 c1ccc(cc1)[*:1] CCOC(=O)c1cccc(c1)NC(=O)C(c1ccccc1)[*:1]
CCOC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 CCOC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])C(c1ccccc1)c1ccccc1
CC(C)CN1C[C@@H](C(=O)NCCc2nc3c(s2)CCC3)CC1=O CC(C)C[*:1] O=C(NCCc1nc2CCCc2s1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)CN1C[C@@H](C(=O)NCCc2nc3c(s2)CCC3)CC1=O CC(C)[*:1] O=C(NCCc1nc2CCCc2s1)[C@H]1CC(=O)N(C1)C[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1CCCN1C(=O)CO[*:1]
CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)cc1 CCO[*:1] N#Cc1ccc(cc1)OCC(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] Cn1/c(=N/C(=O)c2ccc(s2)[N+](=O)[O-])sc2ccc(cc21)[*:1]
Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])c1ccc(s1)[*:1] Cn1/c(=N/C(=O)[*:1])sc2ccc(cc21)[N+](=O)[O-]
Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] Cn1/c(=N/C(=O)c2ccc(s2)[*:1])sc2ccc(cc21)[N+](=O)[O-]
CCc1cnc(CCNC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)s1 CCc1cnc(C[*:1])s1 C[C@H](NC(=O)NC[*:1])c1nc(cs1)C(C)(C)C
CCc1cnc(CCNC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)s1 CCc1cnc(s1)[*:1] C[C@H](NC(=O)NCC[*:1])c1nc(cs1)C(C)(C)C
CCc1cnc(CCNC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)s1 CC(C)(C)[*:1] CCc1cnc(CCNC(=O)N[C@@H](C)c2nc(cs2)[*:1])s1
CC[NH+](CC)CCN1C(=O)NC(=O)[C@](CC)(c2ccccc2)C1=O c1ccc(cc1)[*:1] CC[NH+](CC)CCN1C(=O)NC(=O)[C@](CC)(C1=O)[*:1]
N#Cc1ccccc1CN(Cc1cnc2cnccn12)C1CCCC1 N#Cc1ccccc1[*:1] c1cn2c(cnc2cn1)CN(C[*:1])C1CCCC1
N#Cc1ccccc1CN(Cc1cnc2cnccn12)C1CCCC1 C1CCC(C1)[*:1] N#Cc1ccccc1CN(Cc1cnc2cnccn12)[*:1]
COc1ccc(C[C@]2(C)NC(=O)N(CC(=O)N(C)C3CC3)C2=O)cc1 CN(C(=O)[*:1])C1CC1 COc1ccc(cc1)C[C@]1(C)NC(=O)N(C[*:1])C1=O
COc1ccc(C[C@]2(C)NC(=O)N(CC(=O)N(C)C3CC3)C2=O)cc1 CN(C(=O)C[*:1])C1CC1 COc1ccc(cc1)C[C@]1(C)NC(=O)N(C1=O)[*:1]
COc1ccc(C[C@]2(C)NC(=O)N(CC(=O)N(C)C3CC3)C2=O)cc1 COc1ccc(cc1)[*:1] CN(C(=O)CN1C(=O)N[C@@](C)(C[*:1])C1=O)C1CC1
COc1ccc(C[C@]2(C)NC(=O)N(CC(=O)N(C)C3CC3)C2=O)cc1 C1CC1[*:1] COc1ccc(cc1)C[C@]1(C)NC(=O)N(CC(=O)N(C)[*:1])C1=O
CC(C)c1nc(CCNC(=O)N(C2CC2)[C@H](C)c2ccccc2F)cs1 CC(C)[*:1] C[C@H](c1ccccc1F)N(C(=O)NCCc1csc(n1)[*:1])C1CC1
CC(C)c1nc(CCNC(=O)N(C2CC2)[C@H](C)c2ccccc2F)cs1 CC(C)c1nc(cs1)[*:1] C[C@H](c1ccccc1F)N(C(=O)NCC[*:1])C1CC1
CC(C)c1nc(CCNC(=O)N(C2CC2)[C@H](C)c2ccccc2F)cs1 Fc1ccccc1[*:1] CC(C)c1nc(cs1)CCNC(=O)N(C1CC1)[C@H](C)[*:1]
CC(C)c1nc(CCNC(=O)N(C2CC2)[C@H](C)c2ccccc2F)cs1 C1CC1[*:1] CC(C)c1nc(cs1)CCNC(=O)N([C@H](C)c1ccccc1F)[*:1]
O=C(NCCc1ccc2c(c1)CCO2)[C@@H]1C[C@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCCc1ccc2OCCc2c1)[C@@H]1C[C@@H]1[*:1]
O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)Nc1ccc(nn1)-n1cccn1)[*:1]
O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cccc(F)c1 c1cnn(c1)[*:1] O=C(Nc1ccc(cc1)Nc1ccc(nn1)[*:1])c1cccc(F)c1
COc1ccc2[nH]cc(CC(=O)Nc3nc(C)no3)c2c1 Cc1noc(n1)[*:1] COc1ccc2[nH]cc(CC(=O)N[*:1])c2c1
COCCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] COCCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)[*:1]
COCCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)c1ccccc1 COC[*:1] C[C@H](c1ccccc1)N(Cc1nc2c(cnn2C)c(=O)[nH]1)C[*:1]
COCCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] COCCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[*:1]
COCCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)c1ccccc1 COCC[*:1] C[C@H](c1ccccc1)N(Cc1nc2c(cnn2C)c(=O)[nH]1)[*:1]
COC(=O)c1ccc(N2CCN(Cc3scnc3C)[C@@H](C)C2)cc1 Cc1ncsc1C[*:1] COC(=O)c1ccc(cc1)N1CCN([C@@H](C)C1)[*:1]
COC(=O)c1ccc(N2CCN(Cc3scnc3C)[C@@H](C)C2)cc1 Cc1ncsc1[*:1] COC(=O)c1ccc(cc1)N1CCN(C[*:1])[C@@H](C)C1
COC(=O)c1ccc(N2CCN(Cc3scnc3C)[C@@H](C)C2)cc1 COC(=O)[*:1] Cc1ncsc1CN1CCN(C[C@@H]1C)c1ccc(cc1)[*:1]
CC(C)Cc1cc(C(=O)N2CCN(c3ccc(C#N)cc3)C(=O)C2)nc(=O)[nH]1 CC(C)C[*:1] N#Cc1ccc(cc1)N1CCN(CC1=O)C(=O)c1cc([nH]c(=O)n1)[*:1]
CC(C)Cc1cc(C(=O)N2CCN(c3ccc(C#N)cc3)C(=O)C2)nc(=O)[nH]1 CC(C)[*:1] N#Cc1ccc(cc1)N1CCN(CC1=O)C(=O)c1cc(C[*:1])[nH]c(=O)n1
CC(C)Cc1cc(C(=O)N2CCN(c3ccc(C#N)cc3)C(=O)C2)nc(=O)[nH]1 N#Cc1ccc(cc1)[*:1] CC(C)Cc1cc(nc(=O)[nH]1)C(=O)N1CCN(C(=O)C1)[*:1]
CC1(C)CN(C2(CNC(=O)C3CCOCC3)CCCCC2)CCO1 CC1(C)CN(CCO1)[*:1] O=C(NCC1(CCCCC1)[*:1])C1CCOCC1
CC1(C)CN(C2(CNC(=O)C3CCOCC3)CCCCC2)CCO1 C1CC(CCO1)[*:1] CC1(C)CN(CCO1)C1(CCCCC1)CNC(=O)[*:1]
C=C(Br)CO[C@@H]1CC[C@@H]([NH3+])C1 C=C(Br)[*:1] [NH3+][C@@H]1CC[C@H](C1)OC[*:1]
Cc1ccc2c(c1)c(=O)c(-c1nc(-c3ccc(OC(F)(F)F)cc3)no1)cn2C FC(F)(F)[*:1] Cc1ccc2c(c1)c(=O)c(cn2C)-c1nc(no1)-c1ccc(cc1)O[*:1]
Cc1ccc2c(c1)c(=O)c(-c1nc(-c3ccc(OC(F)(F)F)cc3)no1)cn2C FC(F)(F)O[*:1] Cc1ccc2c(c1)c(=O)c(cn2C)-c1nc(no1)-c1ccc(cc1)[*:1]
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(nc1)O[*:1]
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)c1 c1ccc(cc1)O[*:1] COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(nc1)[*:1]
Cn1cnc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)n1 C1CCC(C1)[*:1] Cn1cnc(C[NH2+][C@@H](c2ccccc2F)[*:1])n1
Cn1cnc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)n1 Fc1ccccc1[*:1] Cn1cnc(C[NH2+][C@@H](C2CCCC2)[*:1])n1
Cn1cnc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)n1 Cn1cnc(n1)[*:1] Fc1ccccc1[C@H]([NH2+]C[*:1])C1CCCC1
O=C([O-])[C@@H]1CS[C@H](c2cccc([N+](=O)[O-])c2)[NH2+]1 O=[N+]([O-])[*:1] O=C([O-])[C@@H]1CS[C@@H]([NH2+]1)c1cccc(c1)[*:1]
O=C([O-])[C@@H]1CS[C@H](c2cccc([N+](=O)[O-])c2)[NH2+]1 O=C([O-])[*:1] O=[N+]([O-])c1cccc(c1)[C@@H]1[NH2+][C@@H](CS1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc1 Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)NC1CCN(CC1)C(=O)c1cnccn1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NC1CCN(CC1)C(=O)c1cnccn1
Cc1ccc(O[C@@H](C)C(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc1 c1cnc(cn1)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)NC1CCN(CC1)C(=O)[*:1]
CN(Cc1csc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O c1csc(c1)[*:1] CN(Cc1csc(n1)[*:1])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O
CCOc1ccc(NC(=O)CC(C)(C)C)c(C)c1 CC(C)(C)C[*:1] CCOc1ccc(NC(=O)[*:1])c(C)c1
CCOc1ccc(NC(=O)CC(C)(C)C)c(C)c1 CC(C)(C)[*:1] CCOc1ccc(NC(=O)C[*:1])c(C)c1
CCOc1ccc(NC(=O)CC(C)(C)C)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)CC(C)(C)C)[*:1]
CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nc(C)no2)cc1 CC(=O)N[*:1] Cc1noc(n1)NC(=O)[C@H](C)Sc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nc(C)no2)cc1 Cc1noc(n1)[*:1] CC(=O)Nc1ccc(cc1)S[C@@H](C)C(=O)N[*:1]
COc1cc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc2c1OCCO2 O=C1CCCN1[*:1] COc1cc(/C=C/C(=O)Nc2ccc(c(C)c2)[*:1])cc2OCCOc12
COc1cccc(NC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)-c1noc(n1)C1CCCC1
COc1cccc(NC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)c1 C1CCC(C1)[*:1] COc1cccc(c1)NC(=O)c1ccc(cc1)-c1noc(n1)[*:1]
CS(=O)(=O)CCC(=O)Nc1cncc2ccccc12 CS(=O)(=O)[*:1] O=C(CC[*:1])Nc1cncc2ccccc12
CS(=O)(=O)CCC(=O)Nc1cncc2ccccc12 CS(=O)(=O)C[*:1] O=C(C[*:1])Nc1cncc2ccccc12
CS(=O)(=O)CCC(=O)Nc1cncc2ccccc12 CS(=O)(=O)CC[*:1] O=C(Nc1cncc2ccccc12)[*:1]
O=C(NCCN1CCOCC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 C1CN(CCO1)CC[*:1] O=C(N[*:1])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1
O=C(NCCN1CCOCC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 C1CN(CCO1)[*:1] O=C(NCC[*:1])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1
O=C(NCCN1CCOCC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
O=C(NCCN1CCOCC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 C1CN(CCO1)C[*:1] O=C(NC[*:1])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1
CCOc1ccc([C@@]2(O)CCCS[C@H]2C)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])[C@@]1(O)CCCS[C@H]1C
CCOc1ccc([C@@]2(O)CCCS[C@H]2C)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])[C@@]1(O)CCCS[C@H]1C
O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(I)c1 Ic1cccc(c1)[*:1] O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)N[*:1]
Cc1cccc2c1=[NH+]C(=O)[C@@H](CN(C)C(=O)c1cccnc1)C=2 c1cncc(c1)[*:1] Cc1cccc2=C[C@H](CN(C)C(=O)[*:1])C(=O)[NH+]=c12
CC(C)[C@@H]1C[NH2+]CCN1c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)[C@@H]1C[NH2+]CCN1c1ccc(cc1)[*:1]
CC(C)[C@@H]1C[NH2+]CCN1c1ccc(C(=O)[O-])cc1 CC(C)[*:1] O=C([O-])c1ccc(cc1)N1CC[NH2+]C[C@H]1[*:1]
O=C(Nc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1)c1ccco1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCC[C@H]1[*:1])c1ccco1
O=C(Nc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1)c1ccco1 c1coc(c1)[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCC[C@@H]1Cc1ccccc1
O=C(Nc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCC[C@@H]1C[*:1])c1ccco1
O=C(Nc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(c1ccc(cc1)[*:1])N1CCC[C@@H]1Cc1ccccc1
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1[*:1]
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1[N+](=O)[O-] CCOC(=O)[*:1] CC1NC(=S)N[C@H](C=1[*:1])c1ccccc1[N+](=O)[O-]
COC(=O)[C@H]1C[C@H]1C(=O)NCc1ccc([N+]2=CCCC2)cc1 COC(=O)[*:1] O=C(NCc1ccc(cc1)[N+]1=CCCC1)[C@@H]1C[C@@H]1[*:1]
COC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CCCC2 Brc1cccc(c1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
COC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CCCC2 COC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])c1cccc(Br)c1
Clc1cc(Br)ccc1OC[C@H]1CO1 C1O[C@H]1[*:1] Clc1cc(Br)ccc1OC[*:1]
Clc1cc(Br)ccc1OC[C@H]1CO1 C1O[C@H]1C[*:1] Clc1cc(Br)ccc1O[*:1]
COC(=O)c1ccc(/C=C(/C)CO)o1 COC(=O)[*:1] C/C(=C/c1ccc(o1)[*:1])CO
O=C(C[NH+]1CCC(Cc2cccc(F)c2)CC1)NCc1ccccc1F Fc1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)Cc1cccc(F)c1)NC[*:1]
O=C(C[NH+]1CCC(Cc2cccc(F)c2)CC1)NCc1ccccc1F Fc1cccc(c1)C[*:1] O=C(C[NH+]1CCC(CC1)[*:1])NCc1ccccc1F
O=C(C[NH+]1CCC(Cc2cccc(F)c2)CC1)NCc1ccccc1F Fc1ccccc1C[*:1] O=C(C[NH+]1CCC(CC1)Cc1cccc(F)c1)N[*:1]
O=C(C[NH+]1CCC(Cc2cccc(F)c2)CC1)NCc1ccccc1F Fc1cccc(c1)[*:1] O=C(C[NH+]1CCC(CC1)C[*:1])NCc1ccccc1F
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(C)CCOCC1CC1 C1CC1C[*:1] C[C@@H]1[C@H](CCN1C(=O)N(C)CCO[*:1])C(=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(C)CCOCC1CC1 C1CC1[*:1] C[C@@H]1[C@H](CCN1C(=O)N(C)CCOC[*:1])C(=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(C)CCOCC1CC1 C1CC1COC[*:1] C[C@@H]1[C@H](CCN1C(=O)N(C)C[*:1])C(=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(C)CCOCC1CC1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)N(C)CCOCC1CC1)[*:1]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N(C)CCOCC1CC1 C1CC1CO[*:1] C[C@@H]1[C@H](CCN1C(=O)N(C)CC[*:1])C(=O)[O-]
COCCn1c(SCc2cc(=O)n3c(C)csc3n2)nc2sc3c(c2c1=O)CCCC3 COCC[*:1] Cc1csc2nc(cc(=O)n12)CSc1nc2sc3CCCCc3c2c(=O)n1[*:1]
COCCn1c(SCc2cc(=O)n3c(C)csc3n2)nc2sc3c(c2c1=O)CCCC3 COC[*:1] Cc1csc2nc(cc(=O)n12)CSc1nc2sc3CCCCc3c2c(=O)n1C[*:1]
O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 Clc1cccc(c1)[*:1] O=C1C(=C[*:1])Oc2cc(ccc21)OS(=O)(=O)c1ccc(F)cc1
O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] O=C1/C(=C/c2cccc(Cl)c2)Oc2cc(ccc21)OS(=O)(=O)[*:1]
CCCc1cc(=O)oc2cc(OC(=O)[C@H](C)S(C)(=O)=O)ccc12 CS(=O)(=O)[*:1] CCCc1cc(=O)oc2cc(ccc12)OC(=O)[C@H](C)[*:1]
CCCc1cc(=O)oc2cc(OC(=O)[C@H](C)S(C)(=O)=O)ccc12 CCC[*:1] C[C@@H](C(=O)Oc1ccc2c(cc(=O)oc2c1)[*:1])S(C)(=O)=O
Cc1ccc(NC(=O)N[C@@](C)(CO)C2CC2)s1 C1CC1[*:1] Cc1ccc(NC(=O)N[C@@](C)(CO)[*:1])s1
CCCOc1cccc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 CCCOc1cccc(c1)[*:1] O=C1c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H](N1Cc1cccnc1)[*:1]
CCCOc1cccc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 CCC[*:1] O=C1c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H](c2cccc(c2)O[*:1])N1Cc1cccnc1
CCCOc1cccc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 CCCO[*:1] O=C1c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H](c2cccc(c2)[*:1])N1Cc1cccnc1
CCCOc1cccc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 Oc1ccc(Cl)cc1[*:1] CCCOc1cccc(c1)[C@H]1c2c(n[nH]c2C(=O)N1Cc1cccnc1)[*:1]
CCCOc1cccc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 c1cncc(c1)[*:1] CCCOc1cccc(c1)[C@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1cc(Cl)ccc1O
CCCOc1cccc([C@H]2c3c(-c4cc(Cl)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 c1cncc(c1)C[*:1] CCCOc1cccc(c1)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1cc(Cl)ccc1O
Cc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3OCCc4ccccc43)cc2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@H]1OCCc2ccccc21
C[C@H]1CC[C@]2(C[NH+]=C(N)N2C2CCCC2)[C@H](C)C1 C1CCC(C1)[*:1] C[C@H]1CC[C@]2(C[NH+]=C(N)N2[*:1])[C@H](C)C1
C[C@@H]1OCc2cc(=O)n([C@H](C)C(=O)Nc3ccccc3F)nc21 Fc1ccccc1[*:1] C[C@@H]1OCc2cc(=O)n(nc21)[C@H](C)C(=O)N[*:1]
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nnsc1Cl Clc1snnc1C[*:1] C[C@H]1Cc2cc(ccc2N1[*:1])S(N)(=O)=O
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nnsc1Cl NS(=O)(=O)[*:1] C[C@H]1Cc2cc(ccc2N1Cc1nnsc1Cl)[*:1]
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nnsc1Cl Clc1snnc1[*:1] C[C@H]1Cc2cc(ccc2N1C[*:1])S(N)(=O)=O
COc1cccc(-c2cc(C[NH2+][C@@H](C)c3cn(C)nc3C)[nH]n2)c1 Cc1nn(C)cc1[*:1] COc1cccc(c1)-c1cc(C[NH2+][C@@H](C)[*:1])[nH]n1
COc1cccc(-c2cc(C[NH2+][C@@H](C)c3cn(C)nc3C)[nH]n2)c1 COc1cccc(c1)[*:1] Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cc(n[nH]1)[*:1]
COC(=O)[C@H](NC(=O)c1cnccn1)C1CCCCC1 C1CCC(CC1)[*:1] COC(=O)[C@H](NC(=O)c1cnccn1)[*:1]
COC(=O)[C@H](NC(=O)c1cnccn1)C1CCCCC1 c1cnc(cn1)[*:1] COC(=O)[C@H](NC(=O)[*:1])C1CCCCC1
COC(=O)[C@H](NC(=O)c1cnccn1)C1CCCCC1 COC(=O)[*:1] O=C(N[C@H](C1CCCCC1)[*:1])c1cnccn1
O=C(NCc1nc(-c2cccs2)n[nH]1)c1ccccc1O Oc1ccccc1[*:1] O=C(NCc1nc(n[nH]1)-c1cccs1)[*:1]
O=C(NCc1nc(-c2cccs2)n[nH]1)c1ccccc1O c1csc(c1)[*:1] O=C(NCc1nc(n[nH]1)[*:1])c1ccccc1O
CN(C[C@@H](O)C1CC1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)Cc1csc(n1)NC(=O)c1ccccc1
CN(C[C@@H](O)C1CC1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] CN(C[C@@H](O)C1CC1)C(=O)Cc1csc(n1)NC(=O)[*:1]
COC(=O)c1ccccc1S(=O)(=O)Cc1cccc(C)c1 COC(=O)[*:1] Cc1cccc(c1)CS(=O)(=O)c1ccccc1[*:1]
COC(=O)c1ccccc1S(=O)(=O)Cc1cccc(C)c1 Cc1cccc(c1)[*:1] COC(=O)c1ccccc1S(=O)(=O)C[*:1]
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCOCC1 FC(F)(F)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)C1CCOCC1
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCOCC1 C1CC(CCO1)[*:1] CN(Cc1ccc(cc1)C(F)(F)F)C(=O)[*:1]
Fc1cncc(/C=C/c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1 Fc1cncc(c1)[*:1] C(=C[*:1])c1nc(no1)-c1ccc(cc1)N1CCCCC1
Fc1cncc(/C=C/c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1 C1CCN(CC1)[*:1] Fc1cncc(/C=C/c2nc(no2)-c2ccc(cc2)[*:1])c1
CC(=O)Nc1cc(C(=O)N(CC[NH+](C)C)Cc2cccs2)ccc1F c1csc(c1)C[*:1] CC(=O)Nc1cc(ccc1F)C(=O)N(CC[NH+](C)C)[*:1]
CC(=O)Nc1cc(C(=O)N(CC[NH+](C)C)Cc2cccs2)ccc1F c1csc(c1)[*:1] CC(=O)Nc1cc(ccc1F)C(=O)N(CC[NH+](C)C)C[*:1]
CC(=O)Nc1cc(C(=O)N(CC[NH+](C)C)Cc2cccs2)ccc1F CC(=O)N[*:1] C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(F)c(c1)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCOC(C)(C)C1 CC(=O)N[*:1] C[C@H](C(=O)N1CCOC(C)(C)C1)[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 Clc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)c(Cl)c1
O=C(NCCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 Fc1ccc(cc1Cl)[*:1] O=C(NCCc1ccc(Cl)cc1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 Clc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)c(Cl)c1
Cc1nc2c(c(C)c1CCC(=O)NC1CCC(C)(C)CC1)c(=O)[nH]n2C CC1(C)CCC(CC1)[*:1] Cc1nc2c(c(C)c1CCC(=O)N[*:1])c(=O)[nH]n2C
COc1cccc([C@@H](CNC(=O)c2cc[n+]([O-])cc2)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1cc[n+]([O-])cc1
COc1cccc([C@@H](CNC(=O)c2cc[n+]([O-])cc2)[NH+]2CCCC2)c1 [O-][n+]1ccc(cc1)[*:1] COc1cccc(c1)[C@@H](CNC(=O)[*:1])[NH+]1CCCC1
COc1cc(NC2CCN(C(=O)C[C@H](C)n3cccc3)CC2)cc(OC)c1 c1ccn(c1)[*:1] COc1cc(cc(c1)OC)NC1CCN(CC1)C(=O)C[C@H](C)[*:1]
O=c1oc(-c2ccccc2)nc2cc([N+](=O)[O-])ccc12 c1ccc(cc1)[*:1] O=c1oc(nc2cc(ccc12)[N+](=O)[O-])[*:1]
O=c1oc(-c2ccccc2)nc2cc([N+](=O)[O-])ccc12 O=[N+]([O-])[*:1] O=c1oc(nc2cc(ccc12)[*:1])-c1ccccc1
C[C@H](C(=O)NCc1ccc(Cl)cc1)n1nc(-c2ccccc2)ccc1=O Clc1ccc(cc1)[*:1] C[C@H](C(=O)NC[*:1])n1nc(ccc1=O)-c1ccccc1
C[C@H](C(=O)NCc1ccc(Cl)cc1)n1nc(-c2ccccc2)ccc1=O Clc1ccc(cc1)C[*:1] C[C@H](C(=O)N[*:1])n1nc(ccc1=O)-c1ccccc1
C[C@H](C(=O)NCc1ccc(Cl)cc1)n1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] C[C@H](C(=O)NCc1ccc(Cl)cc1)n1nc(ccc1=O)[*:1]
Cc1cc(F)cc(NC(=[NH2+])C2CCCC2)c1 C1CCC(C1)[*:1] Cc1cc(F)cc(c1)NC(=[NH2+])[*:1]
CC[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@@H](NC(=O)CCC(=O)c1ccc2CCCc2c1)[*:1]
CC[C@H]1CN(Cc2ccc(Oc3cnccn3)cc2)C[C@H](C)O1 c1cnc(cn1)[*:1] CC[C@H]1CN(Cc2ccc(cc2)O[*:1])C[C@H](C)O1
CC[C@H]1CN(Cc2ccc(Oc3cnccn3)cc2)C[C@H](C)O1 c1cnc(cn1)O[*:1] CC[C@H]1CN(Cc2ccc(cc2)[*:1])C[C@H](C)O1
CC(C)=C[C@](C)(O)c1cc(C)ccc1C CC(C)=C[*:1] Cc1ccc(C)c(c1)[C@](C)(O)[*:1]
CC(C)c1cc(=O)oc2cc(OCC(=O)NCCc3ccccc3)ccc12 c1ccc(cc1)[*:1] CC(C)c1cc(=O)oc2cc(ccc12)OCC(=O)NCC[*:1]
CC(C)c1cc(=O)oc2cc(OCC(=O)NCCc3ccccc3)ccc12 c1ccc(cc1)CC[*:1] CC(C)c1cc(=O)oc2cc(ccc12)OCC(=O)N[*:1]
CC(C)c1cc(=O)oc2cc(OCC(=O)NCCc3ccccc3)ccc12 c1ccc(cc1)C[*:1] CC(C)c1cc(=O)oc2cc(ccc12)OCC(=O)NC[*:1]
CC(C)c1cc(=O)oc2cc(OCC(=O)NCCc3ccccc3)ccc12 CC(C)[*:1] O=C(COc1ccc2c(cc(=O)oc2c1)[*:1])NCCc1ccccc1
COc1ccc(Cc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1OC O=C(C[*:1])N1CCCCC1 COc1ccc(cc1OC)Cc1nc2ccccc2n1[*:1]
COc1ccc(Cc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1OC O=C(N1CCCCC1)[*:1] COc1ccc(cc1OC)Cc1nc2ccccc2n1C[*:1]
O=C(COC(=O)c1cc2ccccc2oc1=O)c1cccs1 c1csc(c1)[*:1] O=C(OCC(=O)[*:1])c1cc2ccccc2oc1=O
O=C(COC(=O)c1cc2ccccc2oc1=O)c1cccs1 O=C(c1cccs1)[*:1] O=C(OC[*:1])c1cc2ccccc2oc1=O
CCC[NH2+][C@]1(C(=O)[O-])CC[C@H](n2nc(C)c(CC)c2C)C1 CCC[*:1] CCc1c(C)nn(c1C)[C@H]1CC[C@](C1)([NH2+][*:1])C(=O)[O-]
CCC[NH2+][C@]1(C(=O)[O-])CC[C@H](n2nc(C)c(CC)c2C)C1 O=C([O-])[*:1] CCC[NH2+][C@@]1(CC[C@@H](C1)n1nc(C)c(CC)c1C)[*:1]
CCN(CC)C(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 c1csc(c1)[*:1] CCN(CC)C(=O)c1cc(n(n1)[C@@H]1CCS(=O)(=O)C1)[*:1]
CCN(CC)C(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 CCN(CC)C(=O)[*:1] O=S1(=O)CC[C@H](C1)n1nc(cc1-c1cccs1)[*:1]
C[C@@H](NC(N)=[NH2+])c1cccc(Br)c1 NC(=[NH2+])N[*:1] C[C@@H](c1cccc(Br)c1)[*:1]
CCCCOc1c(C)c(C)nc2cc(C3CCOCC3)nn12 CCCC[*:1] Cc1nc2cc(nn2c(O[*:1])c1C)C1CCOCC1
CCCCOc1c(C)c(C)nc2cc(C3CCOCC3)nn12 CCC[*:1] Cc1nc2cc(nn2c(OC[*:1])c1C)C1CCOCC1
CCCCOc1c(C)c(C)nc2cc(C3CCOCC3)nn12 C1CC(CCO1)[*:1] CCCCOc1c(C)c(C)nc2cc(nn12)[*:1]
CCCCOc1c(C)c(C)nc2cc(C3CCOCC3)nn12 CCCCO[*:1] Cc1nc2cc(nn2c(c1C)[*:1])C1CCOCC1
CCOc1cccc(C[NH2+]Cc2cc(C#N)ccc2F)c1 CCO[*:1] N#Cc1ccc(F)c(c1)C[NH2+]Cc1cccc(c1)[*:1]
CC(=O)N(c1nc(COc2ccccc2C#N)cs1)c1c(C)cc(C)cc1C Cc1cc(C)c(c(C)c1)[*:1] CC(=O)N(c1nc(cs1)COc1ccccc1C#N)[*:1]
CC(=O)N(c1nc(COc2ccccc2C#N)cs1)c1c(C)cc(C)cc1C N#Cc1ccccc1O[*:1] CC(=O)N(c1nc(cs1)C[*:1])c1c(C)cc(C)cc1C
CC(=O)N(c1nc(COc2ccccc2C#N)cs1)c1c(C)cc(C)cc1C N#Cc1ccccc1[*:1] CC(=O)N(c1nc(cs1)CO[*:1])c1c(C)cc(C)cc1C
COc1cc(C)ccc1OC(=O)Cn1cnc2c(oc3ccccc32)c1=O COc1cc(C)ccc1[*:1] O=C(Cn1cnc2c(oc3ccccc32)c1=O)O[*:1]
O=c1c2cc(Br)ccc2nc(-c2ccccc2)n1NC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O c1ccc(cc1)[*:1] O=c1c2cc(Br)ccc2nc(n1NC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)NCc3ccco3)cc2)n1 c1coc(c1)C[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)O[C@@H](C)C(=O)N[*:1]
Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)NCc3ccco3)cc2)n1 O=C(NCc1ccco1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)O[C@@H](C)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)NCc3ccco3)cc2)n1 c1coc(c1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)O[C@@H](C)C(=O)NC[*:1]
Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)NCc3ccco3)cc2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])C(=O)NCc1ccco1
O=C(NCCCC(=O)N1CCc2ccccc21)c1cccc(F)c1Cl Fc1cccc(c1Cl)[*:1] O=C(CCCNC(=O)[*:1])N1CCc2ccccc21
C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1sccc1C(N)=O NC(=O)[*:1] C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1sccc1[*:1]
C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1sccc1C(N)=O c1ccc(cc1)[*:1] C[C@H](Sc1nncn1[*:1])C(=O)Nc1sccc1C(N)=O
C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1sccc1C(N)=O NC(=O)c1ccsc1[*:1] C[C@H](Sc1nncn1-c1ccccc1)C(=O)N[*:1]
CCc1ccc(Oc2ncnc(Oc3ccccc3)c2N)cc1 c1ccc(cc1)O[*:1] CCc1ccc(cc1)Oc1ncnc(c1N)[*:1]
CCc1ccc(Oc2ncnc(Oc3ccccc3)c2N)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)Oc1ncnc(O[*:1])c1N
COCc1cc(NC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)ncn1 COC[*:1] CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1cc(ncn1)[*:1]
CC(C)N(C(=O)CCNC(=O)C1CCCCC1)C1CCC1 CC(C)[*:1] O=C(NCCC(=O)N(C1CCC1)[*:1])C1CCCCC1
CC(C)N(C(=O)CCNC(=O)C1CCCCC1)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)CCNC(=O)C1CCCCC1)[*:1]
CC(C)N(C(=O)CCNC(=O)C1CCCCC1)C1CCC1 C1CCC(CC1)[*:1] CC(C)N(C(=O)CCNC(=O)[*:1])C1CCC1
CCc1cccc2sc(N(C[C@H]3CCCO3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc12 C1CO[C@H](C1)C[*:1] CCc1cccc2sc(nc12)N(C(=O)[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
CCc1cccc2sc(N(C[C@H]3CCCO3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc12 C1CO[C@H](C1)[*:1] CCc1cccc2sc(nc12)N(C[*:1])C(=O)[C@H]1CCCN(C1)S(C)(=O)=O
CCc1cccc2sc(N(C[C@H]3CCCO3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc12 CS(=O)(=O)N1CCC[C@@H](C1)[*:1] CCc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
Cc1ccc([C@H](CCO)[NH2+]C2CCN(c3ncccn3)CC2)cc1 c1cnc(nc1)[*:1] Cc1ccc(cc1)[C@H](CCO)[NH2+]C1CCN(CC1)[*:1]
Cc1ccc([C@H](CCO)[NH2+]C2CCN(c3ncccn3)CC2)cc1 OCC[*:1] Cc1ccc(cc1)[C@H]([NH2+]C1CCN(CC1)c1ncccn1)[*:1]
Cc1ccc([C@H](CCO)[NH2+]C2CCN(c3ncccn3)CC2)cc1 Cc1ccc(cc1)[*:1] OCC[C@H]([NH2+]C1CCN(CC1)c1ncccn1)[*:1]
CNC(=O)COc1cccc(CC(=O)NC[C@H]2CCC(C)(C)c3ccccc32)c1 CNC(=O)[*:1] CC1(C)CC[C@H](CNC(=O)Cc2cccc(c2)OC[*:1])c2ccccc21
CNC(=O)COc1cccc(CC(=O)NC[C@H]2CCC(C)(C)c3ccccc32)c1 CNC(=O)C[*:1] CC1(C)CC[C@H](CNC(=O)Cc2cccc(c2)O[*:1])c2ccccc21
CNC(=O)COc1cccc(CC(=O)NC[C@H]2CCC(C)(C)c3ccccc32)c1 CNC(=O)CO[*:1] CC1(C)CC[C@H](CNC(=O)Cc2cccc(c2)[*:1])c2ccccc21
Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)S[C@H](C)C(=O)N2 Clc1ccc(cc1)CO[*:1] Cc1n[nH]c2NC(=O)[C@@H](C)S[C@H](c3ccc(cc3)[*:1])c12
Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)S[C@H](C)C(=O)N2 Clc1ccc(cc1)C[*:1] Cc1n[nH]c2NC(=O)[C@@H](C)S[C@H](c3ccc(cc3)O[*:1])c12
Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)S[C@H](C)C(=O)N2 Clc1ccc(cc1)[*:1] Cc1n[nH]c2NC(=O)[C@@H](C)S[C@H](c3ccc(cc3)OC[*:1])c12
C[NH2+]C[C@H]1CCCN(CC(C)(C)C(=O)OC)C1 COC(=O)[*:1] C[NH2+]C[C@H]1CCCN(C1)CC(C)(C)[*:1]
CC(C)C1CCC(C(=O)ON2C(=O)CCC2=O)CC1 CC(C)[*:1] O=C(ON1C(=O)CCC1=O)C1CCC(CC1)[*:1]
C=CCn1ncc(CN2CC(=O)N(c3ccccc3C)C[C@H]2C)c1C C=CC[*:1] Cc1ccccc1N1C[C@@H](C)N(CC1=O)Cc1cnn(c1C)[*:1]
C=CCn1ncc(CN2CC(=O)N(c3ccccc3C)C[C@H]2C)c1C Cc1ccccc1[*:1] C=CCn1ncc(CN2CC(=O)N(C[C@H]2C)[*:1])c1C
Cc1c([C@H](C)NC(=O)N[C@@H](c2ccccn2)C(C)C)oc2ccccc12 CC(C)[*:1] Cc1c(oc2ccccc12)[C@H](C)NC(=O)N[C@@H](c1ccccn1)[*:1]
Cc1c([C@H](C)NC(=O)N[C@@H](c2ccccn2)C(C)C)oc2ccccc12 c1ccc(nc1)[*:1] Cc1c(oc2ccccc12)[C@H](C)NC(=O)N[C@@H](C(C)C)[*:1]
Cc1ccc(CN(C)C(=O)CN(CC#N)c2ccccc2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)CN(CC#N)c1ccccc1)[*:1]
Cc1ccc(CN(C)C(=O)CN(CC#N)c2ccccc2)o1 N#CC[*:1] Cc1ccc(CN(C)C(=O)CN(c2ccccc2)[*:1])o1
Cc1ccc(CN(C)C(=O)CN(CC#N)c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(CN(C)C(=O)CN(CC#N)[*:1])o1
Cc1ccc(CN(C)C(=O)CN(CC#N)c2ccccc2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)CN(CC#N)c1ccccc1
CC(C)C(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 CC(C)[*:1] [NH2+]=C(NC[C@H]1CN2CCC[C@@H]2CO1)[*:1]
CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cccnc1)CC2 c1cncc(c1)[*:1] CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(CC2)C[*:1]
CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cccnc1)CC2 CC(C)[*:1] NC(=O)CN1C(=O)N(CC[*:1])C2(CCN(CC2)Cc2cccnc2)C1=O
CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cccnc1)CC2 CC(C)CC[*:1] NC(=O)CN1C(=O)N(C2(CCN(CC2)Cc2cccnc2)C1=O)[*:1]
CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cccnc1)CC2 NC(=O)[*:1] CC(C)CCN1C(=O)N(C[*:1])C(=O)C12CCN(CC2)Cc1cccnc1
CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cccnc1)CC2 CC(C)C[*:1] NC(=O)CN1C(=O)N(C[*:1])C2(CCN(CC2)Cc2cccnc2)C1=O
CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cccnc1)CC2 NC(=O)C[*:1] CC(C)CCN1C(=O)N(C(=O)C12CCN(CC2)Cc1cccnc1)[*:1]
CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cccnc1)CC2 c1cncc(c1)C[*:1] CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(CC2)[*:1]
Cc1ccccc1-n1c(C)c(C)c2c(N)[n+](-c3nccs3)cnc21 c1csc(n1)[*:1] Cc1ccccc1-n1c(C)c(C)c2c(N)[n+](cnc21)[*:1]
Cc1ccccc1-n1c(C)c(C)c2c(N)[n+](-c3nccs3)cnc21 Cc1ccccc1[*:1] Cc1c(C)n(c2nc[n+](-c3nccs3)c(N)c12)[*:1]
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnc2ccccc2c1=O Clc1ccc(cc1Cl)[*:1] CN(CC(=O)N[*:1])C(=O)Cn1cnc2ccccc2c1=O
CCc1nn(C)cc1CNC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 CCc1nn(C)cc1C[*:1] Cc1cc(ccc1F)-c1noc(CCC(=O)N[*:1])n1
CCc1nn(C)cc1CNC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 Cc1cc(ccc1F)[*:1] CCc1nn(C)cc1CNC(=O)CCc1nc(no1)[*:1]
CCc1nn(C)cc1CNC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 CCc1nn(C)cc1[*:1] Cc1cc(ccc1F)-c1noc(CCC(=O)NC[*:1])n1
COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)nc23)c1 Cc1cc(C)c(c(C)c1)[*:1] COc1cccc(c1)Sc1nc2ccccc2n2c(=O)n(CC(=O)N[*:1])nc12
COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)nc23)c1 COc1cccc(c1)[*:1] Cc1cc(C)c(NC(=O)Cn2nc3c(nc4ccccc4n3c2=O)S[*:1])c(C)c1
COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)nc23)c1 COc1cccc(c1)S[*:1] Cc1cc(C)c(NC(=O)Cn2nc3c(nc4ccccc4n3c2=O)[*:1])c(C)c1
COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)nc23)c1 Cc1cc(C)c(NC(=O)[*:1])c(C)c1 COc1cccc(c1)Sc1nc2ccccc2n2c(=O)n(C[*:1])nc12
O=C(CO/N=C/c1cccc([N+](=O)[O-])c1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CO/N=C/c1cccc(c1)[N+](=O)[O-])NC[*:1]
O=C(CO/N=C/c1cccc([N+](=O)[O-])c1)NCc1ccccc1 O=[N+]([O-])[*:1] O=C(CO/N=C/c1cccc(c1)[*:1])NCc1ccccc1
O=C(CO/N=C/c1cccc([N+](=O)[O-])c1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CO/N=C/c1cccc(c1)[N+](=O)[O-])N[*:1]
C[C@@H](CO)NC(=O)Nc1ccc2c(c1)COC2 C[C@@H](CO)[*:1] O=C(Nc1ccc2COCc2c1)N[*:1]
CCc1nn(C)cc1CNC(=O)N1CCN(C(=O)C2CCCC2)CC1 C1CCC(C1)[*:1] CCc1nn(C)cc1CNC(=O)N1CCN(CC1)C(=O)[*:1]
CCc1nn(C)cc1CNC(=O)N1CCN(C(=O)C2CCCC2)CC1 CCc1nn(C)cc1[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)C1CCCC1
CCN[C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CN(C)CCO1 CC(C)[*:1] CCN[C@@H](c1ccc(cc1)O[*:1])[C@@H]1CN(C)CCO1
CCN[C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CN(C)CCO1 CCN[*:1] CC(C)Oc1ccc(cc1)[C@@H]([C@@H]1CN(C)CCO1)[*:1]
CCN[C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CN(C)CCO1 CC(C)O[*:1] CCN[C@@H](c1ccc(cc1)[*:1])[C@@H]1CN(C)CCO1
Cc1[nH+]c([C@H]2CCCCN2C(=O)c2cccnc2)nc2c1CCCN2Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] Cc1[nH+]c(nc2c1CCCN2[*:1])[C@H]1CCCCN1C(=O)c1cccnc1
Cc1[nH+]c([C@H]2CCCCN2C(=O)c2cccnc2)nc2c1CCCN2Cc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1[nH+]c(nc2c1CCCN2C[*:1])[C@H]1CCCCN1C(=O)c1cccnc1
Cc1[nH+]c([C@H]2CCCCN2C(=O)c2cccnc2)nc2c1CCCN2Cc1cccc(F)c1 c1cncc(c1)[*:1] Cc1[nH+]c(nc2c1CCCN2Cc1cccc(F)c1)[C@H]1CCCCN1C(=O)[*:1]
COc1cccc(NC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)c(=O)c3ccc(C)nc32)c1 O=C(Nc1ccc(F)cc1)[*:1] COc1cccc(c1)NC(=O)Cn1cc(c(=O)c2ccc(C)nc21)[*:1]
COc1cccc(NC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)c(=O)c3ccc(C)nc32)c1 COc1cccc(c1)[*:1] Cc1ccc2c(=O)c(cn(CC(=O)N[*:1])c2n1)C(=O)Nc1ccc(F)cc1
COc1cccc(NC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)c(=O)c3ccc(C)nc32)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)Cn1cc(C(=O)N[*:1])c(=O)c2ccc(C)nc21
COc1cccc(NC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)c(=O)c3ccc(C)nc32)c1 COc1cccc(c1)NC(=O)[*:1] Cc1ccc2c(=O)c(cn(C[*:1])c2n1)C(=O)Nc1ccc(F)cc1
Cc1cc(C)cc(C2(C(=O)OCC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CCC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(COC(=O)C1(CCC1)[*:1])N1CCO[C@@H]2CCCC[C@@H]21
Cc1ccc(C(=O)N2CCN([C@H](C)C(=O)Nc3cccc(C)c3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(NC(=O)[C@@H](C)N2CCN(CC2)C(=O)[*:1])c1C
Cc1ccc(C(=O)N2CCN([C@H](C)C(=O)Nc3cccc(C)c3C)CC2)cc1 Cc1cccc(c1C)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
CCOC(=O)[C@H](C)c1nc2cc(C)ccc2n1C CCOC(=O)[*:1] Cc1ccc2c(c1)nc([C@@H](C)[*:1])n2C
OCCc1cn(C2CC[NH+](Cc3ccc4occc4c3)CC2)nn1 OCCc1cn(nn1)[*:1] c1cc2cc(ccc2o1)C[NH+]1CCC(CC1)[*:1]
OCCc1cn(C2CC[NH+](Cc3ccc4occc4c3)CC2)nn1 OCC[*:1] c1cc2cc(ccc2o1)C[NH+]1CCC(CC1)n1cc(nn1)[*:1]
O=C(Cc1c(F)cccc1Cl)N1CC[C@H]2[NH2+]CCC[C@]2(C(=O)[O-])C1 Fc1cccc(Cl)c1[*:1] O=C(C[*:1])N1CC[C@H]2[NH2+]CCC[C@@]2(C1)C(=O)[O-]
O=C(Cc1c(F)cccc1Cl)N1CC[C@H]2[NH2+]CCC[C@]2(C(=O)[O-])C1 O=C([O-])[*:1] O=C(Cc1c(F)cccc1Cl)N1CC[C@H]2[NH2+]CCC[C@@]2(C1)[*:1]
O=C(CN1CCOCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 C1CN(CCO1)[*:1] O=C(C[*:1])N1CCC[C@@H]1c1ccc2OCCOc2c1
O=C(CN1CCOCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 C1CN(CCO1)C[*:1] O=C(N1CCC[C@@H]1c1ccc2OCCOc2c1)[*:1]
C[C@@H](CC(=O)NCc1cccc2c1OCCO2)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](CC(=O)NCc1cccc2OCCOc12)NC(=O)[*:1]
[NH3+]C[C@H]1CCCC[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2o1 O=[N+]([O-])[*:1] [NH3+]C[C@H]1CCCC[C@H]1Nc1nc2cc(ccc2o1)[*:1]
NC(=O)c1ccc(NC(=O)C[NH+]2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 Fc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)C[NH+]1CCN(CC1)Cc1nc(cs1)[*:1]
NC(=O)c1ccc(NC(=O)C[NH+]2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc(cs1)-c1ccc(F)cc1)N[*:1]
NC(=O)c1ccc(NC(=O)C[NH+]2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 NC(=O)[*:1] O=C(C[NH+]1CCN(CC1)Cc1nc(cs1)-c1ccc(F)cc1)Nc1ccc(cc1)[*:1]
COCCc1nnc(S[C@H](C)c2ccccc2F)n1N COCC[*:1] C[C@@H](Sc1nnc(n1N)[*:1])c1ccccc1F
COCCc1nnc(S[C@H](C)c2ccccc2F)n1N COC[*:1] C[C@@H](Sc1nnc(C[*:1])n1N)c1ccccc1F
NC(=O)C1CCN(C(=O)NCCOc2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)NCCO[*:1]
NC(=O)C1CCN(C(=O)NCCOc2ccc(Br)cc2)CC1 NC(=O)[*:1] O=C(NCCOc1ccc(Br)cc1)N1CCC(CC1)[*:1]
Cc1ccc(C(=O)NNC(=O)NC[C@@H](CCO)c2ccccc2)s1 Cc1ccc(s1)[*:1] O=C(NC[C@@H](CCO)c1ccccc1)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)NC[C@@H](CCO)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)NNC(=O)NC[C@@H](CCO)[*:1]
Cc1ccc(C(=O)NNC(=O)NC[C@@H](CCO)c2ccccc2)s1 OCC[*:1] Cc1ccc(s1)C(=O)NNC(=O)NC[C@@H](c1ccccc1)[*:1]
CCn1c(=O)c2cc(C(=O)NCc3ccc(F)cc3Cl)sc2c2ccccc21 Fc1ccc(c(Cl)c1)[*:1] CCn1c(=O)c2cc(sc2c2ccccc21)C(=O)NC[*:1]
CCn1c(=O)c2cc(C(=O)NCc3ccc(F)cc3Cl)sc2c2ccccc21 Fc1ccc(C[*:1])c(Cl)c1 CCn1c(=O)c2cc(sc2c2ccccc21)C(=O)N[*:1]
CC(C)N(C[C@H]1CCCCO1)S(=O)(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)N(C[C@H]1CCCCO1)S(=O)(=O)[*:1]
CC(C)N(C[C@H]1CCCCO1)S(=O)(=O)c1cccc(F)c1 C1CC[C@H](C[*:1])OC1 CC(C)N(S(=O)(=O)c1cccc(F)c1)[*:1]
CC(C)N(C[C@H]1CCCCO1)S(=O)(=O)c1cccc(F)c1 C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])S(=O)(=O)c1cccc(F)c1
CC(C)N(C[C@H]1CCCCO1)S(=O)(=O)c1cccc(F)c1 CC(C)[*:1] O=S(=O)(c1cccc(F)c1)N(C[C@H]1CCCCO1)[*:1]
O=C(Nc1ccc(Br)cc1)C1C(c2ccccc2)=C1c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cc1)C1C(=C1[*:1])c1ccccc1
O=C(Nc1ccc(Br)cc1)C1C(c2ccccc2)=C1c1ccccc1 Brc1ccc(cc1)[*:1] O=C(N[*:1])C1C(=C1c1ccccc1)c1ccccc1
C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1sccc1C#N N#Cc1ccsc1[*:1] C[C@H](Sc1nc2ccccc2n1C)C(=O)N[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccc(-n2cccc2)c1 C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)c1cccc(c1)-n1cccc1
CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccc(c1)[*:1]
FC(F)(Br)[C@@](F)(Cl)C[C@H]1CO1 C1O[C@H]1[*:1] FC(F)(Br)[C@@](F)(Cl)C[*:1]
Cc1cc(NC(=O)COc2ccccc2)n(C(C)(C)C)n1 CC(C)(C)[*:1] Cc1cc(NC(=O)COc2ccccc2)n(n1)[*:1]
Cc1cc(NC(=O)COc2ccccc2)n(C(C)(C)C)n1 c1ccc(cc1)O[*:1] Cc1cc(NC(=O)C[*:1])n(n1)C(C)(C)C
Cc1cc(NC(=O)COc2ccccc2)n(C(C)(C)C)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CO[*:1])n(n1)C(C)(C)C
CC(C)[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)n1cnc2cc(F)c(F)cc21 CC(C)[*:1] O=C(Nc1ccc(cc1)-c1nnn[n-]1)[C@@H](n1cnc2cc(F)c(F)cc21)[*:1]
Cc1cc(N2CCN(C(=O)c3ccncc3Cl)CC2)n2ncnc2n1 Clc1cnccc1[*:1] Cc1cc(N2CCN(CC2)C(=O)[*:1])n2ncnc2n1
CC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)s1 C1CCC(C1)[*:1] CC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
CC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)s1 CC(C)(C)[*:1] O=C(Nc1nnc(s1)[*:1])[C@@H]1CC(=O)N(C1)C1CCCC1
C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(CC1)C(=O)[*:1]
Cc1nc(C)c(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 Cc1nc(C)c(C[*:1])s1 CC1CC[NH+](CC1)Cc1ccc(cc1)CN[*:1]
Cc1nc(C)c(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 Cc1nc(C)c(s1)[*:1] CC1CC[NH+](CC1)Cc1ccc(cc1)CNC[*:1]
Cc1csc(N(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2ccccc2)n1 Cc1csc(n1)[*:1] O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N(c1ccccc1)[*:1]
Cc1csc(N(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[*:1]
COc1cccc(OCCN2CC(=O)C(c3n(C)c4ccccc4[n+]3C)=C2N)c1 COc1cccc(c1)O[*:1] Cn1c(C2C(=O)CN(CC[*:1])C=2N)[n+](C)c2ccccc21
COc1cccc(OCCN2CC(=O)C(c3n(C)c4ccccc4[n+]3C)=C2N)c1 COc1cccc(c1)[*:1] Cn1c(C2C(=O)CN(CCO[*:1])C=2N)[n+](C)c2ccccc21
O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NC[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] O=C(COc1ccc2c3CCCCc3c(=O)oc2c1)NC[*:1]
O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc2c3CCCCc3c(=O)oc2c1)NC[C@H](O)[*:1]
O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NC[C@H](O)c1ccccc1 O[C@@H](C[*:1])c1ccccc1 O=C(COc1ccc2c3CCCCc3c(=O)oc2c1)N[*:1]
Cc1ccc(N2CC[C@H](C(=O)OC[C@H]3CCCCO3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(OC[C@H]1CCCCO1)[C@H]1CCN(C1=O)[*:1]
Cc1ccc(N2CC[C@H](C(=O)OC[C@H]3CCCCO3)C2=O)cc1 C1CC[C@@H](OC1)[*:1] Cc1ccc(cc1)N1CC[C@H](C(=O)OC[*:1])C1=O
Cc1ccc(N2CC[C@H](C(=O)OC[C@H]3CCCCO3)C2=O)cc1 C1CC[C@H](C[*:1])OC1 Cc1ccc(cc1)N1CC[C@H](C(=O)O[*:1])C1=O
CC1(C)CCN(C(=O)c2csc(C#CCO)c2)C1 OCC#C[*:1] CC1(C)CCN(C1)C(=O)c1csc(c1)[*:1]
Cn1cnc(S(=O)(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1 Cn1cnc(c1)[*:1] O=S(=O)(N[C@@H]1CCc2cc(Cl)ccc21)[*:1]
O=C(NCCC1=CCCCC1)N[C@@H](CO)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCC1=CCCCC1)N[C@@H](CO)[*:1]
Cc1ccc2[nH]c(SCC(=O)c3cc(C)n(-c4nccs4)c3C)nc2c1 c1csc(n1)[*:1] Cc1ccc2[nH]c(nc2c1)SCC(=O)c1cc(C)n(c1C)[*:1]
COC(=O)[C@@H](C)CN(C)C(=O)c1nccnc1N COC(=O)[C@@H](C)[*:1] CN(C[*:1])C(=O)c1nccnc1N
COC(=O)[C@@H](C)CN(C)C(=O)c1nccnc1N COC(=O)[*:1] C[C@@H](CN(C)C(=O)c1nccnc1N)[*:1]
COc1ccc([C@H](CNC(=O)c2ccc(C)cc2C)N2CCOCC2)cc1OC C1CN(CCO1)[*:1] COc1ccc(cc1OC)[C@H](CNC(=O)c1ccc(C)cc1C)[*:1]
COc1ccc([C@H](CNC(=O)c2ccc(C)cc2C)N2CCOCC2)cc1OC Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1OC)[C@H](CNC(=O)[*:1])N1CCOCC1
COc1cc(CN2CCN(Cc3cnc(C4CC4)s3)CC2)cc(OC)c1 c1nc(sc1[*:1])C1CC1 COc1cc(cc(c1)OC)CN1CCN(CC1)C[*:1]
COc1cc(CN2CCN(Cc3cnc(C4CC4)s3)CC2)cc(OC)c1 C1CC1[*:1] COc1cc(cc(c1)OC)CN1CCN(CC1)Cc1cnc(s1)[*:1]
CCOCC(=O)NNC(=O)c1cc(Cl)ccc1OC CCO[*:1] COc1ccc(Cl)cc1C(=O)NNC(=O)C[*:1]
CCOCC(=O)NNC(=O)c1cc(Cl)ccc1OC CCOC[*:1] COc1ccc(Cl)cc1C(=O)NNC(=O)[*:1]
COc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3NCCC4=c5ccccc5=[NH+][C@@H]43)c2=O)cc1 COc1ccc(cc1)[*:1] O=c1[nH]c([O-])c(c(=O)n1[*:1])[C@@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
COc1ccccc1CNc1nccn(-c2ccccc2)c1=O c1ccc(cc1)[*:1] COc1ccccc1CNc1nccn(c1=O)[*:1]
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H](c1ccccc1)N1CCc2ccccc21 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H](N1CCc2ccccc21)[*:1]
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H](c1ccccc1)N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H](c1ccccc1)[*:1]
CCN(CC)C(=O)[C@@H](C)Sc1nc(C)c(C)n1CC(C)C CCN(CC)C(=O)[*:1] Cc1nc(S[C@H](C)[*:1])n(CC(C)C)c1C
CCN(CC)C(=O)[C@@H](C)Sc1nc(C)c(C)n1CC(C)C CC(C)[*:1] CCN(CC)C(=O)[C@@H](C)Sc1nc(C)c(C)n1C[*:1]
CCN(CC)C(=O)[C@@H](C)Sc1nc(C)c(C)n1CC(C)C CC(C)C[*:1] CCN(CC)C(=O)[C@@H](C)Sc1nc(C)c(C)n1[*:1]
COc1ccc(C(=O)N(C)Cc2cccc(N)c2)cc1O Nc1cccc(c1)[*:1] COc1ccc(cc1O)C(=O)N(C)C[*:1]
Cc1ccc2c(c1)[C@H](NC(=O)Nc1ncnn1C)CO2 Cn1ncnc1[*:1] Cc1ccc2OC[C@@H](NC(=O)N[*:1])c2c1
CCOc1ccc(C(=O)NCc2ccc(Br)cc2F)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)NCc1ccc(Br)cc1F
CCOc1ccc(C(=O)NCc2ccc(Br)cc2F)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)NCc1ccc(Br)cc1F
CCOc1ccc(C(=O)NCc2ccc(Br)cc2F)cc1OCC Fc1cc(Br)ccc1[*:1] CCOc1ccc(cc1OCC)C(=O)NC[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@H]1[C@H](CCN1C(=O)N[*:1])C(=O)[O-]
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC1CCCCC1 O=C([O-])[*:1] C[C@H]1[C@@H](CCN1C(=O)NC1CCCCC1)[*:1]
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)S(=O)(=O)[N-]c1ccccc1O[*:1]
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1 FC(F)(F)O[*:1] N#Cc1ccc(cc1)S(=O)(=O)[N-]c1ccccc1[*:1]
Cn1nc(C(=O)N2CCC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc2c1=O FC(F)(F)c1ccc(cc1)[*:1] Cn1nc(C(=O)N2CCC[NH+](CC2)C[*:1])c2ccccc2c1=O
Cn1nc(C(=O)N2CCC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc2c1=O FC(F)(F)[*:1] Cn1nc(C(=O)N2CCC[NH+](CC2)Cc2ccc(cc2)[*:1])c2ccccc2c1=O
C[C@H]([NH3+])c1ccccc1OCCCc1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH3+])c1ccccc1OCCC[*:1]
CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])N[C@@H]1CCCC[C@@H]1CO
Cc1cc(C)n(CCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c(=O)n1 CC(C)C[*:1] Cc1cc(C)n(CCNC(=O)[C@@H]2CC(=O)N(C2)[*:1])c(=O)n1
Cc1cc(C)n(CCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c(=O)n1 CC(C)[*:1] Cc1cc(C)n(CCNC(=O)[C@@H]2CC(=O)N(C2)C[*:1])c(=O)n1
O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1csc(n1)[*:1]
Cc1n[nH]c(-c2ccccc2N[C@H]2CC[NH2+]C2)n1 Cc1n[nH]c(n1)[*:1] c1ccc(c(c1)N[C@H]1CC[NH2+]C1)[*:1]
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] O=C(CS(=O)(=O)C[*:1])Nc1nnc(Cc2ccc(Cl)cc2)s1
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 Clc1ccc(cc1)C[*:1] O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nnc(s1)[*:1]
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nnc(C[*:1])s1
O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 Clc1ccc(cc1)C[*:1] O=C(CS(=O)(=O)[*:1])Nc1nnc(Cc2ccc(Cl)cc2)s1
CCSc1cc(C(=O)NC[C@@](C)(O)C(C)C)ccn1 CC(C)[*:1] CCSc1cc(ccn1)C(=O)NC[C@@](C)(O)[*:1]
CCSc1cc(C(=O)NC[C@@](C)(O)C(C)C)ccn1 CCS[*:1] CC(C)[C@](C)(O)CNC(=O)c1ccnc(c1)[*:1]
CC(C)c1cc(Br)ccc1NC(=O)c1ccncc1F CC(C)[*:1] O=C(Nc1ccc(Br)cc1[*:1])c1ccncc1F
COc1cccc2c1OC[C@H](NC(=O)C[C@H](O)c1cccc(F)c1)C2 Fc1cccc(c1)[*:1] COc1cccc2C[C@H](COc21)NC(=O)C[C@H](O)[*:1]
CCOC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCC1)O3 CCOC(=O)[*:1] Cc1c(oc2ccc3OC4(CCCC4)CC(=O)c3c12)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O CCC[C@@H]1C[C@H]1[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)C1CC1
CCC[C@@H]1C[C@@H]1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O C1CC1[*:1] CCC[C@@H]1C[C@@H]1NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O CCC[*:1] C[C@@]1(NC(=O)N(CC(=O)N[C@H]2C[C@H]2[*:1])C1=O)C1CC1
COc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(CS(C)(=O)=O)c3)sc2c1 c1ccc(cc1)[*:1] COc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1cccc(c1)CS(C)(=O)=O
COc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(CS(C)(=O)=O)c3)sc2c1 CS(=O)(=O)[*:1] COc1ccc2nc(sc2c1)N(Cc1ccccc1)C(=O)c1cccc(c1)C[*:1]
COc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(CS(C)(=O)=O)c3)sc2c1 c1ccc(cc1)C[*:1] COc1ccc2nc(sc2c1)N(C(=O)c1cccc(c1)CS(C)(=O)=O)[*:1]
COc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(CS(C)(=O)=O)c3)sc2c1 CS(=O)(=O)C[*:1] COc1ccc2nc(sc2c1)N(Cc1ccccc1)C(=O)c1cccc(c1)[*:1]
C[C@@H](CCC(=O)Nc1ccccn1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](CCC(=O)Nc1ccccn1)[*:1]
Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)C#N)c(Br)c1 CC(C)(C#N)[*:1] Cc1ccc(O[C@@H](C)C(=O)N[*:1])c(Br)c1
CC(C)(C)NC(=O)c1ccccc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 CC(C)(C)[*:1] O=C(NC(=S)Nc1ccccc1C(=O)N[*:1])c1cc(Cl)cc(Cl)c1
CC(C)(C)NC(=O)c1ccccc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=S)NC(=O)[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 CC(C)(C)NC(=O)[*:1] O=C(NC(=S)Nc1ccccc1[*:1])c1cc(Cl)cc(Cl)c1
CC(C)C[C@H]1CCCCCN1C(=O)NCc1[nH+]ccn1C CC(C)C[*:1] Cn1cc[nH+]c1CNC(=O)N1CCCCC[C@@H]1[*:1]
CC(C)C[C@H]1CCCCCN1C(=O)NCc1[nH+]ccn1C CC(C)[*:1] Cn1cc[nH+]c1CNC(=O)N1CCCCC[C@@H]1C[*:1]
CC(C)(C(=O)N1CCc2cc(F)ccc2C1)c1ccccc1F Fc1ccccc1[*:1] CC(C)(C(=O)N1CCc2cc(F)ccc2C1)[*:1]
C[C@@H](C[C@H](Br)Cc1ccccn1)C(C)(C)C CC(C)(C)[*:1] C[C@@H](C[C@H](Br)Cc1ccccn1)[*:1]
Cc1cnc(Cl)nc1NCC[NH+](C)C(C)C CC(C)[*:1] Cc1cnc(Cl)nc1NCC[NH+](C)[*:1]
Cc1cccc(NC(=S)NC(=O)c2cccs2)n1 c1csc(c1)[*:1] Cc1cccc(n1)NC(=S)NC(=O)[*:1]
CC(C)[C@H](NC(=O)CCc1nncn1-c1ccccc1)C(N)=O c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)CCc1nncn1[*:1])C(N)=O
CC(C)[C@H](NC(=O)CCc1nncn1-c1ccccc1)C(N)=O CC(C)[*:1] NC(=O)[C@@H](NC(=O)CCc1nncn1-c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)CCc1nncn1-c1ccccc1)C(N)=O NC(=O)[*:1] CC(C)[C@H](NC(=O)CCc1nncn1-c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)CCc1nncn1-c1ccccc1)C(N)=O CC(C)[C@H](C(N)=O)[*:1] O=C(CCc1nncn1-c1ccccc1)N[*:1]
C[C@@H](NC(=O)CN(C)OCc1ccccc1)c1ccco1 C[C@@H](c1ccco1)[*:1] CN(CC(=O)N[*:1])OCc1ccccc1
C[C@@H](NC(=O)CN(C)OCc1ccccc1)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)CN(C)OCc1ccccc1)[*:1]
C[C@@H](NC(=O)CN(C)OCc1ccccc1)c1ccco1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN(C)OC[*:1])c1ccco1
C[C@@H](NC(=O)CN(C)OCc1ccccc1)c1ccco1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)CN(C)O[*:1])c1ccco1
CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1cccc(F)c1F CCOC(=O)[*:1] CC1Nc2ccccc2N=C(NC(=O)c2cccc(F)c2F)C=1[*:1]
CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1cccc(F)c1F Fc1cccc(c1F)[*:1] CCOC(=O)C1C(=Nc2ccccc2NC=1C)NC(=O)[*:1]
CC(C)[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1cccs1 CS(=O)(=O)[*:1] CC(C)[C@H]([NH2+]CC(C)(C)[*:1])c1cccs1
CC(C)[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1cccs1 c1csc(c1)[*:1] CC(C)[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)[*:1]
CC(C)[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1cccs1 CC(C)[*:1] CC(C)(C[NH2+][C@H](c1cccs1)[*:1])S(C)(=O)=O
CC1=CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)[O-])[C@@H]1C[C@]12O[C@H]1[C@@H](O)C(CO)=C[C@H]2O O=C([O-])[*:1] CC1=CC[C@@H]2[C@@](C)(CCC[C@]2(C)[*:1])[C@@H]1C[C@]12O[C@H]1[C@@H](O)C(=C[C@H]2O)CO
Cc1ccc([C@@H](O)CN(C)CC(F)F)c(C)c1 FC(F)[*:1] Cc1ccc(c(C)c1)[C@@H](O)CN(C)C[*:1]
Cc1ccc([C@@H](O)CN(C)CC(F)F)c(C)c1 FC(F)C[*:1] Cc1ccc(c(C)c1)[C@@H](O)CN(C)[*:1]
CCOC(=O)C[C@H](C)Sc1cccc2ccccc12 CCOC(=O)[*:1] C[C@@H](C[*:1])Sc1cccc2ccccc12
CCOC(=O)C[C@H](C)Sc1cccc2ccccc12 CCOC(=O)C[*:1] C[C@H](Sc1cccc2ccccc12)[*:1]
NC(=O)C1(NC(=O)c2cc(Br)c[nH]2)CCCC1 NC(=O)[*:1] O=C(NC1(CCCC1)[*:1])c1cc(Br)c[nH]1
Cc1nn(C)cc1C(=O)N1CC(C(=O)N(C)CCc2ccccn2)C1 c1ccc(C[*:1])nc1 Cc1nn(C)cc1C(=O)N1CC(C1)C(=O)N(C)C[*:1]
Cc1nn(C)cc1C(=O)N1CC(C(=O)N(C)CCc2ccccn2)C1 c1ccc(CC[*:1])nc1 Cc1nn(C)cc1C(=O)N1CC(C1)C(=O)N(C)[*:1]
Cc1nn(C)cc1C(=O)N1CC(C(=O)N(C)CCc2ccccn2)C1 c1ccc(nc1)[*:1] Cc1nn(C)cc1C(=O)N1CC(C1)C(=O)N(C)CC[*:1]
Cc1nn(C)cc1C(=O)N1CC(C(=O)N(C)CCc2ccccn2)C1 Cc1nn(C)cc1[*:1] CN(CCc1ccccn1)C(=O)C1CN(C1)C(=O)[*:1]
CCN(C[C@H](C)C(N)=S)C(=O)[C@H]1CSc2ccccc21 C[C@@H](C[*:1])C(N)=S CCN(C(=O)[C@H]1CSc2ccccc21)[*:1]
CCN(C[C@H](C)C(N)=S)C(=O)[C@H]1CSc2ccccc21 NC(=S)[*:1] CCN(C[C@H](C)[*:1])C(=O)[C@H]1CSc2ccccc21
CCN(C[C@H](C)C(N)=S)C(=O)[C@H]1CSc2ccccc21 C[C@H](C(N)=S)[*:1] CCN(C[*:1])C(=O)[C@H]1CSc2ccccc21
CC(C)[C@H](CNC(=O)c1ccc(OC(F)F)cc1)N1CC[NH+](C)CC1 FC(F)[*:1] CC(C)[C@H](CNC(=O)c1ccc(cc1)O[*:1])N1CC[NH+](C)CC1
CC(C)[C@H](CNC(=O)c1ccc(OC(F)F)cc1)N1CC[NH+](C)CC1 FC(F)O[*:1] CC(C)[C@H](CNC(=O)c1ccc(cc1)[*:1])N1CC[NH+](C)CC1
CC(C)[C@H](CNC(=O)c1ccc(OC(F)F)cc1)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)c1ccc(cc1)OC(F)F)[*:1]
O=C(N/N=C/c1cccs1)c1sccc1-n1cccc1 c1csc(c1)[*:1] O=C(NN=C[*:1])c1sccc1-n1cccc1
O=C(N/N=C/c1cccs1)c1sccc1-n1cccc1 c1ccn(c1)[*:1] O=C(N/N=C/c1cccs1)c1sccc1[*:1]
O=C(/C=C/c1cccc(F)c1)NNC(=O)c1ccccc1Cl Fc1cccc(c1)[*:1] O=C(C=C[*:1])NNC(=O)c1ccccc1Cl
O=C(/C=C/c1cccc(F)c1)NNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] O=C(/C=C/c1cccc(F)c1)NNC(=O)[*:1]
C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)Nc1ccccc1C(N)=O CC(C)(c1ccccc1)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)Nc1ccccc1C(N)=O
C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)Nc1ccccc1C(N)=O NC(=O)[*:1] C[C@@H](Oc1ccc(cc1)C(C)(C)c1ccccc1)C(=O)Nc1ccccc1[*:1]
C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)Nc1ccccc1C(N)=O NC(=O)c1ccccc1[*:1] C[C@@H](Oc1ccc(cc1)C(C)(C)c1ccccc1)C(=O)N[*:1]
C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)Nc1ccccc1C(N)=O c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(cc1)C(C)(C)[*:1])C(=O)Nc1ccccc1C(N)=O
CCCCNC(=O)C1CC[NH+](Cc2ccccn2)CC1 c1ccc(nc1)[*:1] CCCCNC(=O)C1CC[NH+](CC1)C[*:1]
CCCCNC(=O)C1CC[NH+](Cc2ccccn2)CC1 CCC[*:1] O=C(NC[*:1])C1CC[NH+](CC1)Cc1ccccn1
CCCCNC(=O)C1CC[NH+](Cc2ccccn2)CC1 CCCC[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1ccccn1
C/C(=N\NC(=O)[C@H]1C=C(C2CC2)N=N1)c1ccc2c3c(cccc13)CC2 C1CC1[*:1] C/C(=N\NC(=O)[C@H]1C=C(N=N1)[*:1])c1ccc2CCc3cccc1c32
COC(=O)c1n[nH]c2ccc(NC(=O)N[C@@H](C)c3cnn(C)c3)cc12 Cn1cc(cn1)[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)N[C@@H](C)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N[C@@H](C)c3cnn(C)c3)cc12 COC(=O)[*:1] C[C@H](NC(=O)Nc1ccc2[nH]nc(c2c1)[*:1])c1cnn(C)c1
CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)N(C)CCC#N COc1cccc(c1)[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)N(C)CCC#N)C(=O)N[*:1]
CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)N(C)CCC#N N#CC[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)N(C)C[*:1])C(=O)Nc1cccc(c1)OC
CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)N(C)CCC#N N#CCC[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)N(C)[*:1])C(=O)Nc1cccc(c1)OC
CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)N(C)CCC#N CN(CCC#N)C(=O)[*:1] CC[C@H]1CN(CC[C@H]1C[*:1])C(=O)Nc1cccc(c1)OC
CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)N(C)CCC#N CN(CCC#N)C(=O)C[*:1] CC[C@H]1CN(CC[C@@H]1[*:1])C(=O)Nc1cccc(c1)OC
Cn1cc([C@H](OC(=O)C2CC2)C(F)(F)F)c2ccccc21 C1CC1[*:1] Cn1cc(c2ccccc21)[C@H](OC(=O)[*:1])C(F)(F)F
Cn1cc([C@H](OC(=O)C2CC2)C(F)(F)F)c2ccccc21 O=C(O[*:1])C1CC1 Cn1cc(c2ccccc21)[C@H](C(F)(F)F)[*:1]
Cn1cc([C@H](OC(=O)C2CC2)C(F)(F)F)c2ccccc21 FC(F)(F)[*:1] Cn1cc(c2ccccc21)[C@H](OC(=O)C1CC1)[*:1]
C[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1nc(-c2cccs2)no1 CC(C)(C)OC[*:1] C[C@@H](Nc1ccc(cc1)[*:1])c1nc(no1)-c1cccs1
C[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1nc(-c2cccs2)no1 CC(C)(C)[*:1] C[C@@H](Nc1ccc(cc1)CO[*:1])c1nc(no1)-c1cccs1
C[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1nc(-c2cccs2)no1 CC(C)(C)O[*:1] C[C@@H](Nc1ccc(cc1)C[*:1])c1nc(no1)-c1cccs1
C[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1nc(-c2cccs2)no1 c1csc(c1)[*:1] C[C@@H](Nc1ccc(cc1)COC(C)(C)C)c1nc(no1)[*:1]
O=C(NCc1cccs1)c1ccc2ccccc2n1 c1csc(c1)C[*:1] O=C(N[*:1])c1ccc2ccccc2n1
O=C(NCc1cccs1)c1ccc2ccccc2n1 c1csc(c1)[*:1] O=C(NC[*:1])c1ccc2ccccc2n1
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC(=O)Nc1ccccc1Br CC(C)[*:1] Cc1nc2c(cnn2[*:1])cc1C(=O)NCC(=O)Nc1ccccc1Br
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC(=O)Nc1ccccc1Br Brc1ccccc1[*:1] Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC(=O)N[*:1]
Cn1ccc(CN(CC#N)C2CCCC2)c1 C1CCC(C1)[*:1] Cn1ccc(c1)CN(CC#N)[*:1]
Cn1ccc(CN(CC#N)C2CCCC2)c1 N#CC[*:1] Cn1ccc(c1)CN(C1CCCC1)[*:1]
COCCOc1cccc(/C([O-])=N/c2nc(-c3cccs3)n[nH]2)c1 c1csc(c1)[*:1] COCCOc1cccc(c1)/C([O-])=N/c1nc(n[nH]1)[*:1]
COCCOc1cccc(/C([O-])=N/c2nc(-c3cccs3)n[nH]2)c1 COCCO[*:1] [O-]/C(=N\c1nc(n[nH]1)-c1cccs1)c1cccc(c1)[*:1]
COCCOc1cccc(/C([O-])=N/c2nc(-c3cccs3)n[nH]2)c1 COCC[*:1] [O-]/C(=N\c1nc(n[nH]1)-c1cccs1)c1cccc(c1)O[*:1]
COCCOc1cccc(/C([O-])=N/c2nc(-c3cccs3)n[nH]2)c1 COC[*:1] [O-]/C(=N\c1nc(n[nH]1)-c1cccs1)c1cccc(c1)OC[*:1]
C[C@H]1CCC[C@@H](S[C@H](F)C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CCC[C@H](C1)S[C@H](F)[*:1]
COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(F)cn2)c2[nH+]ccn2C)c1 C[C@H](c1ccc(F)cn1)[*:1] COc1cc(cc(c1)[C@@H](N[*:1])c1[nH+]ccn1C)OC
COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(F)cn2)c2[nH+]ccn2C)c1 Fc1ccc(nc1)[*:1] COc1cc(cc(c1)[C@@H](N[C@H](C)[*:1])c1[nH+]ccn1C)OC
CC(C)Oc1cccc([C@@H](O)c2ccc(Cl)c(F)c2)c1 CC(C)O[*:1] O[C@H](c1cccc(c1)[*:1])c1ccc(Cl)c(F)c1
CC(C)Oc1cccc([C@@H](O)c2ccc(Cl)c(F)c2)c1 CC(C)[*:1] O[C@H](c1cccc(c1)O[*:1])c1ccc(Cl)c(F)c1
Cc1cncc(NC(=O)COCC2CC2)c1 C1CC1C[*:1] Cc1cncc(c1)NC(=O)CO[*:1]
Cc1cncc(NC(=O)COCC2CC2)c1 C1CC1[*:1] Cc1cncc(c1)NC(=O)COC[*:1]
Cc1cncc(NC(=O)COCC2CC2)c1 C1CC1CO[*:1] Cc1cncc(c1)NC(=O)C[*:1]
CCCc1cc(NC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)n(C)n1 CCC[*:1] C[C@H](NC(=O)Nc1cc(nn1C)[*:1])c1cn(nn1)-c1ccccc1
CCCc1cc(NC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)n(C)n1 c1ccc(cc1)[*:1] CCCc1cc(NC(=O)N[C@@H](C)c2cn(nn2)[*:1])n(C)n1
Cc1ccc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)c1 Cc1ccc(C)c(c1)[*:1] CN(C)S(=O)(=O)c1ccc(O)c(c1)NS(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)c1 CN(C)S(=O)(=O)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1cc(ccc1O)[*:1]
C#CCNC(=O)c1ccccc1NC(=O)Cn1ncc(=O)c2ccccc21 C#CC[*:1] O=C(Cn1ncc(=O)c2ccccc21)Nc1ccccc1C(=O)N[*:1]
C#CCNC(=O)c1ccccc1NC(=O)Cn1ncc(=O)c2ccccc21 C#CCNC(=O)[*:1] O=C(Cn1ncc(=O)c2ccccc21)Nc1ccccc1[*:1]
CC[C@H](CSC)NC(=O)Nc1c(C)n[nH]c1C CSC[*:1] CC[C@H](NC(=O)Nc1c(C)n[nH]c1C)[*:1]
Cc1ccsc1C(=O)NNC(=O)c1ccc(Cl)cc1O Cc1ccsc1[*:1] O=C(NNC(=O)[*:1])c1ccc(Cl)cc1O
Cn1c(Cl)cnc1CSCCOc1ccc(CC#N)cc1 N#CC[*:1] Cn1c(Cl)cnc1CSCCOc1ccc(cc1)[*:1]
Cn1c(Cl)cnc1CSCCOc1ccc(CC#N)cc1 Cn1c(Cl)cnc1[*:1] N#CCc1ccc(cc1)OCCSC[*:1]
O=C(CSc1ccccc1)NNc1cccc(F)c1F c1ccc(cc1)[*:1] O=C(CS[*:1])NNc1cccc(F)c1F
COCCNc1cc(-c2ccnc(N)n2)c2cc[nH]c2n1 COCC[*:1] Nc1nccc(n1)-c1cc(nc2[nH]ccc12)N[*:1]
COCCNc1cc(-c2ccnc(N)n2)c2cc[nH]c2n1 COC[*:1] Nc1nccc(n1)-c1cc(nc2[nH]ccc12)NC[*:1]
COCCNc1cc(-c2ccnc(N)n2)c2cc[nH]c2n1 COCCN[*:1] Nc1nccc(n1)-c1cc(nc2[nH]ccc12)[*:1]
COCCNc1cc(-c2ccnc(N)n2)c2cc[nH]c2n1 Nc1nccc(n1)[*:1] COCCNc1cc(c2cc[nH]c2n1)[*:1]
COc1ccc(CC[C@H]([NH3+])C2(N(C)C)CCCCC2)cc1 CN(C)[*:1] COc1ccc(cc1)CC[C@H]([NH3+])C1(CCCCC1)[*:1]
Cc1cccc(N[C@@H](C)C(=O)NCc2cccs2)c1C c1csc(c1)C[*:1] Cc1cccc(N[C@@H](C)C(=O)N[*:1])c1C
Cc1cccc(N[C@@H](C)C(=O)NCc2cccs2)c1C c1csc(c1)[*:1] Cc1cccc(N[C@@H](C)C(=O)NC[*:1])c1C
CCCc1cc(NC(=O)NCC2(CS(C)(=O)=O)CC2)n(C)n1 CS(=O)(=O)C[*:1] CCCc1cc(NC(=O)NCC2(CC2)[*:1])n(C)n1
CCCc1cc(NC(=O)NCC2(CS(C)(=O)=O)CC2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)NCC1(CC1)CS(C)(=O)=O)[*:1]
CCCc1cc(NC(=O)NCC2(CS(C)(=O)=O)CC2)n(C)n1 CS(=O)(=O)[*:1] CCCc1cc(NC(=O)NCC2(CC2)C[*:1])n(C)n1
CCCNC(=O)c1cccc(C(=O)N[C@H](c2ccccn2)C(C)C)c1 CCC[*:1] CC(C)[C@H](NC(=O)c1cccc(c1)C(=O)N[*:1])c1ccccn1
CCCNC(=O)c1cccc(C(=O)N[C@H](c2ccccn2)C(C)C)c1 c1ccc(nc1)[*:1] CCCNC(=O)c1cccc(c1)C(=O)N[C@H](C(C)C)[*:1]
CCCNC(=O)c1cccc(C(=O)N[C@H](c2ccccn2)C(C)C)c1 CC(C)[*:1] CCCNC(=O)c1cccc(c1)C(=O)N[C@H](c1ccccn1)[*:1]
CCCNC(=O)c1cccc(C(=O)N[C@H](c2ccccn2)C(C)C)c1 CCCNC(=O)[*:1] CC(C)[C@H](NC(=O)c1cccc(c1)[*:1])c1ccccn1
CCC[C@@]1(Cc2ccc(F)cc2)CCC[NH2+]1 CCC[*:1] Fc1ccc(cc1)C[C@]1(CCC[NH2+]1)[*:1]
O=C(C1CCC(Nc2ccc(OC(F)F)cn2)CC1)N1CCSCC1 FC(F)[*:1] O=C(C1CCC(CC1)Nc1ccc(cn1)O[*:1])N1CCSCC1
O=C(C1CCC(Nc2ccc(OC(F)F)cn2)CC1)N1CCSCC1 O=C(N1CCSCC1)[*:1] FC(F)Oc1ccc(nc1)NC1CCC(CC1)[*:1]
O=C(C1CCC(Nc2ccc(OC(F)F)cn2)CC1)N1CCSCC1 FC(F)O[*:1] O=C(C1CCC(CC1)Nc1ccc(cn1)[*:1])N1CCSCC1
Cn1nc(CC(=O)NCCn2ccc3ccccc32)c2ccccc2c1=O c1ccc2c(c1)ccn2[*:1] Cn1nc(CC(=O)NCC[*:1])c2ccccc2c1=O
CCC[NH2+][C@@H](C(C)C)[C@H](C)Cc1ccccc1 CC(C)[*:1] CCC[NH2+][C@@H]([C@H](C)Cc1ccccc1)[*:1]
CCC[NH2+][C@@H](C(C)C)[C@H](C)Cc1ccccc1 CCC[*:1] CC(C)[C@H]([NH2+][*:1])[C@H](C)Cc1ccccc1
CC[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)N[C@@H]1CCCCC1(C)C O=C([O-])[*:1] CC[C@H]1SC[C@@H](N1C(=O)N[C@@H]1CCCCC1(C)C)[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccc(F)cc2)n1[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(n1C[C@@H]1CCCO1)[*:1]
CC[C@H]([NH2+]Cc1cccc2cccnc12)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H]([NH2+]Cc1cccc2cccnc12)[*:1]
Cc1ccccc1COC1CCN(C(=O)Nc2cn(C)c(=O)cc2C)CC1 Cc1ccccc1C[*:1] Cc1cc(=O)n(C)cc1NC(=O)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)Nc2cn(C)c(=O)cc2C)CC1 Cc1ccccc1[*:1] Cc1cc(=O)n(C)cc1NC(=O)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)Nc2cn(C)c(=O)cc2C)CC1 Cc1ccccc1CO[*:1] Cc1cc(=O)n(C)cc1NC(=O)N1CCC(CC1)[*:1]
Cc1ccccc1COC1CCN(C(=O)Nc2cn(C)c(=O)cc2C)CC1 Cc1cc(=O)n(C)cc1[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)N[*:1]
CNC(=O)c1ccccc1[N-]S(=O)(=O)CC(C)C CC(C)[*:1] CNC(=O)c1ccccc1[N-]S(=O)(=O)C[*:1]
CNC(=O)c1ccccc1[N-]S(=O)(=O)CC(C)C CNC(=O)[*:1] CC(C)CS(=O)(=O)[N-]c1ccccc1[*:1]
CNC(=O)c1ccccc1[N-]S(=O)(=O)CC(C)C CC(C)C[*:1] CNC(=O)c1ccccc1[N-]S(=O)(=O)[*:1]
Cc1csc(NC(=O)CN2CC[NH+](CCc3cccs3)CC2)n1 c1csc(c1)CC[*:1] Cc1csc(n1)NC(=O)CN1CC[NH+](CC1)[*:1]
Cc1csc(NC(=O)CN2CC[NH+](CCc3cccs3)CC2)n1 Cc1csc(n1)[*:1] O=C(CN1CC[NH+](CCc2cccs2)CC1)N[*:1]
Cc1csc(NC(=O)CN2CC[NH+](CCc3cccs3)CC2)n1 c1csc(c1)C[*:1] Cc1csc(n1)NC(=O)CN1CC[NH+](CC1)C[*:1]
Cc1csc(NC(=O)CN2CC[NH+](CCc3cccs3)CC2)n1 c1csc(c1)[*:1] Cc1csc(n1)NC(=O)CN1CC[NH+](CC1)CC[*:1]
C[NH2+][C@H](c1ccc(OC(C)C)cc1)c1ncc[nH]1 CC(C)[*:1] C[NH2+][C@H](c1ccc(cc1)O[*:1])c1ncc[nH]1
C[NH2+][C@H](c1ccc(OC(C)C)cc1)c1ncc[nH]1 CC(C)O[*:1] C[NH2+][C@H](c1ccc(cc1)[*:1])c1ncc[nH]1
C[NH2+][C@H](c1ccc(OC(C)C)cc1)c1ncc[nH]1 c1c[nH]c(n1)[*:1] C[NH2+][C@H](c1ccc(cc1)OC(C)C)[*:1]
O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NC[C@@H](O)COc1cccc(c1)C(F)(F)F)[*:1]
O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)C1CCCCC1 FC(F)(F)[*:1] O=C(NC[C@@H](O)COc1cccc(c1)[*:1])C1CCCCC1
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C)cs1 Cc1csc(c1)[*:1] CCOC(=O)C1=C(C)NC(=O)N[C@H]1[*:1]
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C)cs1 CCOC(=O)[*:1] CC1NC(=O)N[C@@H](C=1[*:1])c1cc(C)cs1
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)[C@@H]1CCCO1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N[C@@H](C)[C@@H]1CCCO1
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)[C@@H]1CCCO1 CC(C)[*:1] C[C@H](NC(=O)[C@H](NC(=O)c1ccccc1)[*:1])[C@@H]1CCCO1
Cc1oc(C)c(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1C c1ccc(cc1)[*:1] Cc1oc(C)c(C(=O)N(C)[C@H](C)c2cccc(c2)NC(=O)[*:1])c1C
Cc1oc(C)c(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1C O=C(N[*:1])c1ccccc1 Cc1oc(C)c(C(=O)N(C)[C@H](C)c2cccc(c2)[*:1])c1C
Cc1oc(C)c(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1C Cc1oc(C)c(c1C)[*:1] C[C@H](c1cccc(c1)NC(=O)c1ccccc1)N(C)C(=O)[*:1]
Cc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1cccc(c1)-c1cn2cccnc2n1)[*:1]
CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 Fc1cccc(c1)[*:1] CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2CCC(=O)N(C[*:1])c2n1
CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 Fc1cccc(c1)C[*:1] CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2CCC(=O)N(c2n1)[*:1]
CC[C@H](C)NC(=O)N[C@H](C)CC(C)(C)OC COC(C)(C)[*:1] CC[C@H](C)NC(=O)N[C@H](C)C[*:1]
CC[C@H](C)NC(=O)N[C@H](C)CC(C)(C)OC CC[C@H](C)[*:1] COC(C)(C)C[C@@H](C)NC(=O)N[*:1]
Cc1c(C(=O)NC(C2CC2)C2CC2)sc2nc(C(F)(F)F)ccc12 C1CC1C(C1CC1)[*:1] Cc1c(sc2nc(ccc12)C(F)(F)F)C(=O)N[*:1]
Cc1c(C(=O)NC(C2CC2)C2CC2)sc2nc(C(F)(F)F)ccc12 FC(F)(F)[*:1] Cc1c(sc2nc(ccc12)[*:1])C(=O)NC(C1CC1)C1CC1
Cc1c(C(=O)NC(C2CC2)C2CC2)sc2nc(C(F)(F)F)ccc12 C1CC1[*:1] Cc1c(sc2nc(ccc12)C(F)(F)F)C(=O)NC(C1CC1)[*:1]
CCOc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)C[NH+]1CCC(CC1)NC(=O)N[*:1]
CCOc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 CCOc1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)Nc1ccccc1)N[*:1]
CCOc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 CCO[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)Nc1ccccc1)Nc1ccccc1[*:1]
c1csc(-c2nc(CSc3nncc4ccccc34)no2)c1 c1csc(c1)[*:1] c1ccc2c(nncc2c1)SCc1noc(n1)[*:1]
O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(cc1)[*:1]
C/C(=N/OC(=O)c1ccco1)c1cnccn1 c1coc(c1)[*:1] C/C(=N/OC(=O)[*:1])c1cnccn1
Cc1c(O)ccc2c(CNc3ccc(NC(=O)C4CC4)cc3)cc(=O)oc12 C1CC1[*:1] Cc1c(O)ccc2c(cc(=O)oc12)CNc1ccc(cc1)NC(=O)[*:1]
Cc1c(O)ccc2c(CNc3ccc(NC(=O)C4CC4)cc3)cc(=O)oc12 O=C(N[*:1])C1CC1 Cc1c(O)ccc2c(cc(=O)oc12)CNc1ccc(cc1)[*:1]
CN(C)[C@@H](C(=O)Nc1cccc(-n2cnnc2)c1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] CN(C)[C@@H](C(=O)Nc1cccc(c1)-n1cnnc1)[*:1]
CN(C)[C@@H](C(=O)Nc1cccc(-n2cnnc2)c1)c1c(F)cccc1F CN(C)[*:1] O=C(Nc1cccc(c1)-n1cnnc1)[C@@H](c1c(F)cccc1F)[*:1]
CN(C)[C@@H](C(=O)Nc1cccc(-n2cnnc2)c1)c1c(F)cccc1F c1nncn1[*:1] CN(C)[C@@H](C(=O)Nc1cccc(c1)[*:1])c1c(F)cccc1F
CCO[C@@H]1C[C@H](N(C)C(=O)NCc2nnc3n2CCC3)C12CCCC2 CCO[*:1] CN(C(=O)NCc1nnc2CCCn21)[C@H]1C[C@H](C12CCCC2)[*:1]
CCO[C@@H]1C[C@H](N(C)C(=O)NCc2nnc3n2CCC3)C12CCCC2 C1Cc2nnc(n2C1)[*:1] CCO[C@@H]1C[C@H](N(C)C(=O)NC[*:1])C12CCCC2
CC(C)Cc1noc(CS(=O)(=O)[C@@H](C)c2ccccc2F)n1 Fc1ccccc1[*:1] CC(C)Cc1noc(CS(=O)(=O)[C@@H](C)[*:1])n1
CC(C)Cc1noc(CS(=O)(=O)[C@@H](C)c2ccccc2F)n1 CC(C)C[*:1] C[C@@H](c1ccccc1F)S(=O)(=O)Cc1nc(no1)[*:1]
CC(C)Cc1noc(CS(=O)(=O)[C@@H](C)c2ccccc2F)n1 CC(C)[*:1] C[C@@H](c1ccccc1F)S(=O)(=O)Cc1nc(C[*:1])no1
Cc1ccc(-c2nc(CSc3nc(C4CCCC4)n[nH]3)co2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)-c1nc(co1)CSc1nc(n[nH]1)[*:1]
Cc1ccc(-c2nc(CSc3nc(C4CCCC4)n[nH]3)co2)cc1 Cc1ccc(cc1)[*:1] c1oc(nc1CSc1nc(n[nH]1)C1CCCC1)[*:1]
C[C@H]1CN(C(=O)CCSc2ccccc2)C(C)(C)CO1 c1ccc(cc1)[*:1] C[C@H]1CN(C(=O)CCS[*:1])C(C)(C)CO1
C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CCN(c2ncccc2F)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CCN(CC1)c1ncccc1F)[*:1]
C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CCN(c2ncccc2F)CC1)c1ccccc1 Fc1cccnc1[*:1] C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CCN(CC1)[*:1])c1ccccc1
COCc1cc(Cl)nc(NCc2ccc(F)c(Cl)c2)n1 COC[*:1] Fc1ccc(cc1Cl)CNc1nc(Cl)cc(n1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)C(=O)N1CCOCC1 CC(C)[*:1] O=C(Nc1ccccc1C(F)(F)F)N[C@@H](C(=O)N1CCOCC1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)C(=O)N1CCOCC1 FC(F)(F)[*:1] CC(C)[C@@H](NC(=O)Nc1ccccc1[*:1])C(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)Nc2ccccn2)cc1C(=O)[O-] c1ccc(nc1)[*:1] Cc1ccc(cc1C(=O)[O-])S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)Nc2ccccn2)cc1C(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Nc1ccccn1
O=C(NC1(C(=O)[O-])CCCCC1)c1nc(C2CC2)n[nH]1 C1CC1[*:1] O=C(NC1(CCCCC1)C(=O)[O-])c1nc(n[nH]1)[*:1]
O=C(NC1(C(=O)[O-])CCCCC1)c1nc(C2CC2)n[nH]1 O=C([O-])[*:1] O=C(NC1(CCCCC1)[*:1])c1nc(n[nH]1)C1CC1
CCOc1cc(-c2csc3ccccc23)cc2c1OCCN(C(=O)c1nc3ncccn3n1)C2 CCO[*:1] O=C(c1nc2ncccn2n1)N1CCOc2c(cc(cc2[*:1])-c2csc3ccccc23)C1
CCOc1cc(-c2csc3ccccc23)cc2c1OCCN(C(=O)c1nc3ncccn3n1)C2 c1ccc2c(csc2c1)[*:1] CCOc1cc(cc2CN(CCOc21)C(=O)c1nc2ncccn2n1)[*:1]
NC(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)CN[*:1]
NC(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2)cc1 NC(=O)[*:1] O=C(CNc1ccc(Br)cc1)Nc1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccc(-c2ccsc2)nc1 c1cc(cs1)[*:1] CC(C)NC(=O)c1ccc(nc1)[*:1]
CC(C)NC(=O)c1ccc(-c2ccsc2)nc1 CC(C)[*:1] O=C(N[*:1])c1ccc(nc1)-c1ccsc1
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1cccnc1 c1cncc(c1)[*:1] C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1cccnc1 c1cncc(c1)C[*:1] C[C@@H]1CN([C@H](C)CN1C(=O)OC(C)(C)C)[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1cccnc1 CC(C)(C)[*:1] C[C@@H]1CN(C(=O)O[*:1])[C@H](C)CN1Cc1cccnc1
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cc3ccccc3o2)C1 c1ccc2oc(cc2c1)[*:1] CC(C)CNC(=O)N1CCC[C@H](C1)C(=O)N[C@H](C)[*:1]
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cc3ccccc3o2)C1 CC(C)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)NC[*:1])c1cc2ccccc2o1
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cc3ccccc3o2)C1 CC(C)C[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1])c1cc2ccccc2o1
Cc1cc(C)c(NC(=O)[C@H](C)N(C)OCc2ccccc2)c(Cl)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(NC(=O)[C@H](C)N(C)O[*:1])c(Cl)c1
Cc1cc(C)c(NC(=O)[C@H](C)N(C)OCc2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)[C@H](C)N(C)OC[*:1])c(Cl)c1
CC[C@H]([NH2+]CCc1ccc(F)cc1C)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CC[C@H]([NH2+]CCc1ccc(F)cc1C)[*:1]
Cn1cccc1C(=O)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1 Cn1cccc1[*:1] O=C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)[*:1]
Cn1cccc1C(=O)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cn1cccc1C(=O)N1CCC(CC1)c1[nH]ncc1[*:1]
Cn1cccc1C(=O)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1cccc1C(=O)N1CCC(CC1)c1[nH]ncc1C[*:1]
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 O=[N+]([O-])[*:1] O=C(N/N=C/c1cc(ccc1Cl)[*:1])c1ccccn1
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 c1ccc(nc1)[*:1] O=C(N/N=C/c1cc(ccc1Cl)[N+](=O)[O-])[*:1]
COc1ccccc1[C@@H](CNc1ccc(Cl)cn1)[NH+](C)C Clc1ccc(nc1)[*:1] COc1ccccc1[C@@H](CN[*:1])[NH+](C)C
N#Cc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1Cl c1nc(cs1)CO[*:1] N#Cc1ccc(cc1Cl)NC(=O)c1ccccc1[*:1]
N#Cc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1Cl c1nc(cs1)C[*:1] N#Cc1ccc(cc1Cl)NC(=O)c1ccccc1O[*:1]
N#Cc1ccc(NC(=O)c2ccccc2OCc2cscn2)cc1Cl c1nc(cs1)[*:1] N#Cc1ccc(cc1Cl)NC(=O)c1ccccc1OC[*:1]
CCN(C(=O)Nc1ccc(OC)c(F)c1)[C@H](C)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(C(=O)Nc1ccc(OC)c(F)c1)[C@H](C)[*:1]
O=C(Nc1ccc(O)c(C(=O)Nc2ccc(F)cc2F)c1)OCC(F)(F)F O=C(N[*:1])OCC(F)(F)F O=C(Nc1ccc(F)cc1F)c1cc(ccc1O)[*:1]
O=C(Nc1ccc(O)c(C(=O)Nc2ccc(F)cc2F)c1)OCC(F)(F)F FC(F)(F)C[*:1] O=C(Nc1ccc(O)c(c1)C(=O)Nc1ccc(F)cc1F)O[*:1]
O=C(Nc1ccc(O)c(C(=O)Nc2ccc(F)cc2F)c1)OCC(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(O)c(c1)C(=O)Nc1ccc(F)cc1F)OC[*:1]
O=C(Nc1ccc(O)c(C(=O)Nc2ccc(F)cc2F)c1)OCC(F)(F)F Fc1ccc(c(F)c1)[*:1] O=C(Nc1ccc(O)c(c1)C(=O)N[*:1])OCC(F)(F)F
Cc1cccc(C)c1NC(=O)CNC(=O)Nc1cccc(Cl)c1F Fc1c(Cl)cccc1[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)N[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)Nc1cccc(Cl)c1F Cc1cccc(C)c1[*:1] O=C(CNC(=O)Nc1cccc(Cl)c1F)N[*:1]
CC(C)(CC(=O)[O-])NC(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)(C)[*:1] CC(C)(CC(=O)[O-])NC(=O)c1nc(n[nH]1)[*:1]
CC(C)(CC(=O)[O-])NC(=O)c1nc(C(C)(C)C)n[nH]1 O=C([O-])C[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)NC(C)(C)[*:1]
CC(C)(CC(=O)[O-])NC(=O)c1nc(C(C)(C)C)n[nH]1 O=C([O-])[*:1] CC(C)(C[*:1])NC(=O)c1nc(n[nH]1)C(C)(C)C
COCCOC(=O)NC(C(F)(F)F)C(F)(F)F COC[*:1] O=C(NC(C(F)(F)F)C(F)(F)F)OC[*:1]
COCCOC(=O)NC(C(F)(F)F)C(F)(F)F COCC[*:1] O=C(NC(C(F)(F)F)C(F)(F)F)O[*:1]
COCCOC(=O)NC(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] COCCOC(=O)NC(C(F)(F)F)[*:1]
COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)Nc3ccccc3F)c3ccccc3C(=O)N1CC2 O=C(Nc1ccccc1F)[*:1] COc1cc2CCN3C(=O)c4ccccc4[C@H]([C@@H]3c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)Nc3ccccc3F)c3ccccc3C(=O)N1CC2 Fc1ccccc1[*:1] COc1cc2CCN3C(=O)c4ccccc4[C@H](C(=O)N[*:1])[C@@H]3c2cc1OC
COc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2=O)cc1 FC(F)(F)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)NC(=O)Nc1ccc(cc1)O[*:1]
COc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2=O)cc1 FC(F)(F)O[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)NC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)N[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)Oc1ccc(cn1)[N+](=O)[O-])[*:1]
O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccco1 O=C(N[*:1])c1ccco1 O=[N+]([O-])c1ccc(nc1)Oc1ccc(cc1)[*:1]
O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccco1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)Oc1ccc(cn1)[*:1])c1ccco1
COc1ccc(CNC(=O)C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(O)(CC1)C(F)(F)F)NC[*:1]
COc1ccc(CNC(=O)C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CNC(=O)C[NH+]1CCC(O)(CC1)[*:1]
CNC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc(C)c1C c1ccc(cc1)O[*:1] CNC(=O)c1c(NC(=O)c2ccccc2[*:1])sc(C)c1C
CNC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc(C)c1C c1ccc(cc1)[*:1] CNC(=O)c1c(NC(=O)c2ccccc2O[*:1])sc(C)c1C
CNC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc(C)c1C CNC(=O)[*:1] Cc1sc(NC(=O)c2ccccc2Oc2ccccc2)c(c1C)[*:1]
COCCNC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 COCC[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2s1)N[*:1]
COCCNC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 COC[*:1] O=C(NC[*:1])Nc1ccc(cc1)-c1nc2ccccc2s1
CCOc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c(C)c1 CCO[*:1] Cc1cc(ccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)[*:1]
C#CC[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C1CC1 C#CC[*:1] O=C(CCc1c[nH]c2ccccc12)O[C@@H](C1CC1)[*:1]
C#CC[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C1CC1 C1CC1[*:1] C#CC[C@@H](OC(=O)CCc1c[nH]c2ccccc12)[*:1]
C[C@H](OC(=O)Cc1ccc2ccccc2c1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](OC(=O)Cc1ccc2ccccc2c1)[*:1]
C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CN1c1ccccc1 O=[N+]([O-])[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)c1cc(ccc1Cl)[*:1]
C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1[*:1])NC(=O)c1cc(ccc1Cl)[N+](=O)[O-]
O=C(Nc1nc(-c2cccs2)cs1)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] O=C(Nc1nc(cs1)-c1cccs1)c1ccc(cc1F)[*:1]
O=C(Nc1nc(-c2cccs2)cs1)c1ccc([N+](=O)[O-])cc1F c1csc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(cc1F)[N+](=O)[O-]
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)n(C)c4ccccc34)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1c(/C=C2/SC(=O)N(CC(=O)N[*:1])C2=O)c2ccccc2n1C
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)n(C)c4ccccc34)C2=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1c(/C=C2/SC(=O)N(C[*:1])C2=O)c2ccccc2n1C
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)cc2c1 CC(C)(C)n1nnnc1[*:1] CCOc1ccc2[nH]c(=O)c(cc2c1)[C@H](N1CCc2ccccc2C1)[*:1]
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)cc2c1 c1ccc2CN(CCc2c1)[*:1] CCOc1ccc2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1C(C)(C)C)[*:1]
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)cc2c1 CCO[*:1] CC(C)(C)n1nnnc1[C@@H](c1cc2cc(ccc2[nH]c1=O)[*:1])N1CCc2ccccc2C1
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)cc2c1 CC(C)(C)[*:1] CCOc1ccc2[nH]c(=O)c(cc2c1)[C@H](c1nnnn1[*:1])N1CCc2ccccc2C1
C[C@@H]1CC(C(=O)NCc2nc(-c3cccs3)n[nH]2)C[C@@H](C)O1 c1csc(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCc1nc(n[nH]1)[*:1]
COCCn1nc(C)c(CNC(=O)N[C@@H]2CCC[C@H]2C(N)=O)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)N[C@@H]1CCC[C@H]1C(N)=O
COCCn1nc(C)c(CNC(=O)N[C@@H]2CCC[C@H]2C(N)=O)c1C NC(=O)[*:1] COCCn1nc(C)c(CNC(=O)N[C@@H]2CCC[C@@H]2[*:1])c1C
COCCn1nc(C)c(CNC(=O)N[C@@H]2CCC[C@H]2C(N)=O)c1C COCC[*:1] Cc1nn(c(C)c1CNC(=O)N[C@@H]1CCC[C@H]1C(N)=O)[*:1]
CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)CNC(N)=O)CC1 c1cnn(c1)[*:1] CCn1c(C[*:1])nnc1C1CCN(CC1)C(=O)CNC(N)=O
CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)CNC(N)=O)CC1 NC(=O)N[*:1] CCn1c(Cn2cccn2)nnc1C1CCN(CC1)C(=O)C[*:1]
CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)CNC(N)=O)CC1 c1cnn(c1)C[*:1] CCn1c(nnc1[*:1])C1CCN(CC1)C(=O)CNC(N)=O
CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)CNC(N)=O)CC1 NC(=O)NC[*:1] CCn1c(Cn2cccn2)nnc1C1CCN(CC1)C(=O)[*:1]
CC(C)c1nc(C(=O)NCC[C@@H](C)O)n[nH]1 C[C@@H](O)[*:1] CC(C)c1nc(n[nH]1)C(=O)NCC[*:1]
CC(C)c1nc(C(=O)NCC[C@@H](C)O)n[nH]1 C[C@@H](O)C[*:1] CC(C)c1nc(n[nH]1)C(=O)NC[*:1]
CC(C)c1nc(C(=O)NCC[C@@H](C)O)n[nH]1 CC(C)[*:1] C[C@@H](O)CCNC(=O)c1n[nH]c(n1)[*:1]
CC(C)c1nc(C(=O)NCC[C@@H](C)O)n[nH]1 C[C@@H](O)CC[*:1] CC(C)c1nc(n[nH]1)C(=O)N[*:1]
O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1cc2ccccc2s1 c1ccc2sc(cc2c1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1)[*:1]
CCOC(=O)COc1cc(C)[nH+]c2c(C)cccc12 CCOC(=O)[*:1] Cc1cc(OC[*:1])c2cccc(C)c2[nH+]1
CCOC(=O)COc1cc(C)[nH+]c2c(C)cccc12 CCOC(=O)C[*:1] Cc1cc(O[*:1])c2cccc(C)c2[nH+]1
Cc1ccc(S(=O)(=O)NCC/[NH+]=C/c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] c1cc2OCOc2cc1[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NCC[NH+]=C[*:1]
Cc1ccc(S(=O)(=O)NCC/[NH+]=C/c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)NCC/[NH+]=C/c1ccc2OCOc2c1
Cc1nc(N2CCCCC2)c2c([nH+]1)CC[NH+](CCS(=O)(=O)c1ccccc1)C2 O=S(=O)(c1ccccc1)[*:1] Cc1nc(c2C[NH+](CCc2[nH+]1)CC[*:1])N1CCCCC1
Cc1nc(N2CCCCC2)c2c([nH+]1)CC[NH+](CCS(=O)(=O)c1ccccc1)C2 C1CCN(CC1)[*:1] Cc1nc(c2C[NH+](CCc2[nH+]1)CCS(=O)(=O)c1ccccc1)[*:1]
Cc1nc(N2CCCCC2)c2c([nH+]1)CC[NH+](CCS(=O)(=O)c1ccccc1)C2 c1ccc(cc1)[*:1] Cc1nc(c2C[NH+](CCc2[nH+]1)CCS(=O)(=O)[*:1])N1CCCCC1
O=C(CCn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCn1nnc(n1)-c1cccc(c1)C(F)(F)F)N[*:1]
O=C(CCn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1cccc(F)c1 FC(F)(F)[*:1] O=C(CCn1nnc(n1)-c1cccc(c1)[*:1])Nc1cccc(F)c1
COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3ccccc3F)C2)c(OC)c1 Fc1ccccc1[*:1] COc1ccc(C2C[C@@H](N(N=2)C(=O)CN(C)C(=O)C2CCCC2)[*:1])c(c1)OC
COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3ccccc3F)C2)c(OC)c1 CN(C[*:1])C(=O)C1CCCC1 COc1ccc(C2C[C@@H](c3ccccc3F)N(N=2)C(=O)[*:1])c(c1)OC
COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3ccccc3F)C2)c(OC)c1 CN(C(=O)C1CCCC1)[*:1] COc1ccc(C2C[C@@H](c3ccccc3F)N(N=2)C(=O)C[*:1])c(c1)OC
COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3ccccc3F)C2)c(OC)c1 C1CCC(C1)[*:1] COc1ccc(C2C[C@@H](c3ccccc3F)N(N=2)C(=O)CN(C)C(=O)[*:1])c(c1)OC
COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3ccccc3F)C2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] CN(CC(=O)N1N=C(C[C@H]1c1ccccc1F)[*:1])C(=O)C1CCCC1
COc1cc(CN2CCC(n3cncn3)CC2)c([N+](=O)[O-])cc1OC c1ncn(n1)[*:1] COc1cc(CN2CCC(CC2)[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(CN2CCC(n3cncn3)CC2)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(CN2CCC(CC2)n2cncn2)c(cc1OC)[*:1]
CC(C)Oc1ccc(S(=O)(=O)/N=C(\[O-])CCc2ccc(F)cc2)cc1 CC(C)[*:1] O=S(=O)(/N=C(\[O-])CCc1ccc(F)cc1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(S(=O)(=O)/N=C(\[O-])CCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)/N=C(\[O-])CC[*:1]
CC(C)Oc1ccc(S(=O)(=O)/N=C(\[O-])CCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)/N=C(\[O-])C[*:1]
CC(C)Oc1ccc(S(=O)(=O)/N=C(\[O-])CCc2ccc(F)cc2)cc1 CC(C)O[*:1] O=S(=O)(/N=C(\[O-])CCc1ccc(F)cc1)c1ccc(cc1)[*:1]
C[C@H](Sc1nnc2ccccn12)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc2ccccn12)C(=O)N(C)C[*:1]
C[C@H](Sc1nnc2ccccn12)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Sc1nnc2ccccn12)C(=O)N(C)[*:1]
Cn1nc(NC(=O)c2ccccc2)c2c1NC(=O)C[C@H]2c1ccco1 c1coc(c1)[*:1] Cn1nc(NC(=O)c2ccccc2)c2c1NC(=O)C[C@@H]2[*:1]
Cn1nc(NC(=O)c2ccccc2)c2c1NC(=O)C[C@H]2c1ccco1 c1ccc(cc1)[*:1] Cn1nc(NC(=O)[*:1])c2c1NC(=O)C[C@H]2c1ccco1
Clc1cccc2ccc(-c3ncc[nH]3)nc12 c1c[nH]c(n1)[*:1] Clc1cccc2ccc(nc12)[*:1]
COCCCNC(=O)c1nnc(-c2ccccc2)o1 COC[*:1] O=C(NCC[*:1])c1nnc(o1)-c1ccccc1
COCCCNC(=O)c1nnc(-c2ccccc2)o1 COCC[*:1] O=C(NC[*:1])c1nnc(o1)-c1ccccc1
COCCCNC(=O)c1nnc(-c2ccccc2)o1 COCCC[*:1] O=C(N[*:1])c1nnc(o1)-c1ccccc1
COCCCNC(=O)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] COCCCNC(=O)c1nnc(o1)[*:1]
O[C@@H](CSc1nnc(C2CC2)n1Cc1ccco1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O[C@@H](CSc1nnc(C2CC2)n1Cc1ccco1)[*:1]
O[C@@H](CSc1nnc(C2CC2)n1Cc1ccco1)c1cccc(F)c1 c1coc(c1)C[*:1] O[C@@H](CSc1nnc(C2CC2)n1[*:1])c1cccc(F)c1
O[C@@H](CSc1nnc(C2CC2)n1Cc1ccco1)c1cccc(F)c1 c1coc(c1)[*:1] O[C@@H](CSc1nnc(C2CC2)n1C[*:1])c1cccc(F)c1
O[C@@H](CSc1nnc(C2CC2)n1Cc1ccco1)c1cccc(F)c1 C1CC1[*:1] O[C@@H](CSc1nnc(n1Cc1ccco1)[*:1])c1cccc(F)c1
[NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccccc2N2CCOCC2)C1 C1CN(CCO1)[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)Nc1ccccc1[*:1]
COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 Cc1cc(Cl)ccc1[*:1] COc1ccc(cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)C(=O)N[*:1]
Cc1sc2nc(C[NH+](CCCCO)C3CC3)nc(N)c2c1C OCCCC[*:1] Cc1sc2nc(C[NH+](C3CC3)[*:1])nc(N)c2c1C
Cc1sc2nc(C[NH+](CCCCO)C3CC3)nc(N)c2c1C OCCC[*:1] Cc1sc2nc(C[NH+](C[*:1])C3CC3)nc(N)c2c1C
Cc1sc2nc(C[NH+](CCCCO)C3CC3)nc(N)c2c1C C1CC1[*:1] Cc1sc2nc(C[NH+](CCCCO)[*:1])nc(N)c2c1C
Cc1sc2nc(C[NH+](CCCCO)C3CC3)nc(N)c2c1C OCC[*:1] Cc1sc2nc(C[NH+](CC[*:1])C3CC3)nc(N)c2c1C
Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)C4CCC4)C3)c2N)cc1 Cc1ccc(cc1)[*:1] Nc1c(cnn1[*:1])C(=O)[C@H]1CCN(C1)C(=O)C1CCC1
Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)C4CCC4)C3)c2N)cc1 C1CC(C1)[*:1] Cc1ccc(cc1)-n1ncc(C(=O)[C@H]2CCN(C2)C(=O)[*:1])c1N
O=C(Nc1cccc([N+](=O)[O-])c1)c1sc2c([N+](=O)[O-])cccc2c1Cl O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])c1sc2c(cccc2c1Cl)[*:1]
O=C(Nc1cccc([N+](=O)[O-])c1)c1sc2c([N+](=O)[O-])cccc2c1Cl O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)[*:1])c1sc2c(cccc2c1Cl)[N+](=O)[O-]
O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(-c2ccc(CO)o2)c1 OCc1ccc(o1)[*:1] O=C(/C=C/c1ccc(o1)-c1ccccc1)Nc1cccc(c1)[*:1]
O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(-c2ccc(CO)o2)c1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccc(o1)[*:1])Nc1cccc(c1)-c1ccc(CO)o1
O=S(=O)(c1ccc(Br)cc1)N1CC[NH+](Cc2nc([O-])c3ccc(Cl)cc3n2)CC1 Brc1ccc(cc1)[*:1] O=S(=O)(N1CC[NH+](CC1)Cc1nc([O-])c2ccc(Cl)cc2n1)[*:1]
CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 c1ccc(cc1)CC[*:1] CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 c1ccc(cc1)[*:1] CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1CC[*:1]
CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 CC(C)[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1)[*:1]
CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 c1ccc(cc1)C[*:1] CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1C[*:1]
CCC(=O)N1CCC[C@H](C(=O)Oc2ccccc2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)Oc1ccccc1[*:1]
CCC(=O)N1CCC[C@H](C(=O)Oc2ccccc2Cc2ccccc2)C1 c1ccc(cc1)[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)Oc1ccccc1C[*:1]
O=C(N[C@H]1CCCOc2c1ccc1ccccc21)c1ncncc1Cl Clc1cncnc1[*:1] O=C(N[C@H]1CCCOc2c1ccc1ccccc21)[*:1]
Cc1ccc(-c2cnn([C@H](C)C(=O)N3CCc4ccccc43)c(=O)n2)cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCc2ccccc21)n1ncc(nc1=O)[*:1]
CC(C)(C)c1ccccc1NC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 CC(C)(C)[*:1] O=C(Nc1ccccc1[*:1])N1CCS(=O)(=O)[C@H]2CCCC[C@H]21
[NH-]C1=NC2=NC=N[C@H]2C(N2CCC(n3cc(-c4cccnc4)nn3)CC2)=[NH+]1 c1cncc(c1)[*:1] [NH-]C1=NC2=NC=N[C@H]2C(=[NH+]1)N1CCC(CC1)n1cc(nn1)[*:1]
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(cc1)OC(F)(F)F
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1 FC(F)(F)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(cc2)O[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1 FC(F)(F)O[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(cc2)[*:1])c(C)c1
Cc1ccc(C(=O)NCc2nc3ccccc3n2C)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)NCc1nc2ccccc2n1C
Cc1ccc(C(=O)NCc2nc3ccccc3n2C)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 Cc1ccc(cc1[*:1])C(=O)NCc1nc2ccccc2n1C
Clc1ccc(C[NH+]2CCC(c3nc(-c4ccnnc4)no3)CC2)s1 Clc1ccc(C[*:1])s1 c1cc(cnn1)-c1noc(n1)C1CC[NH+](CC1)[*:1]
Clc1ccc(C[NH+]2CCC(c3nc(-c4ccnnc4)no3)CC2)s1 c1cc(cnn1)[*:1] Clc1ccc(C[NH+]2CCC(CC2)c2nc(no2)[*:1])s1
Clc1ccc(C[NH+]2CCC(c3nc(-c4ccnnc4)no3)CC2)s1 Clc1ccc(s1)[*:1] c1cc(cnn1)-c1noc(n1)C1CC[NH+](CC1)C[*:1]
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccn3cncc23)c1 Cc1cccc(c1)NC(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1cccn2cncc12
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccn3cncc23)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)NC(=O)[C@H](NC(=O)c1cccn2cncc12)[*:1]
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccn3cncc23)c1 Cc1cccc(c1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1cccn2cncc12
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccn3cncc23)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)[C@H](C[*:1])NC(=O)c1cccn2cncc12
O=C(Nc1cc(F)ccc1-n1cccn1)N1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1cc(F)ccc1-n1cccn1)N1CC[C@](O)(C1)[*:1]
O=C(Nc1cc(F)ccc1-n1cccn1)N1CC[C@](O)(C(F)(F)F)C1 c1cnn(c1)[*:1] O=C(Nc1cc(F)ccc1[*:1])N1CC[C@@](O)(C1)C(F)(F)F
C[C@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NC1CCCC1 c1cc2OCOc2cc1[*:1] C[C@H](C[*:1])c1nc2cnccn2c1NC1CCCC1
C[C@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NC1CCCC1 C1CCC(C1)N[*:1] C[C@H](Cc1ccc2OCOc2c1)c1nc2cnccn2c1[*:1]
C[C@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NC1CCCC1 C1CCC(C1)[*:1] C[C@H](Cc1ccc2OCOc2c1)c1nc2cnccn2c1N[*:1]
COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(Cl)cc3)nc12 Clc1ccc(cc1)[*:1] COc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
CCCOc1cccc(C[NH+]2CCC(NC(N)=O)CC2)c1 CCCO[*:1] NC(=O)NC1CC[NH+](CC1)Cc1cccc(c1)[*:1]
CCCOc1cccc(C[NH+]2CCC(NC(N)=O)CC2)c1 CCC[*:1] NC(=O)NC1CC[NH+](CC1)Cc1cccc(c1)O[*:1]
CCCOc1cccc(C[NH+]2CCC(NC(N)=O)CC2)c1 NC(=O)N[*:1] CCCOc1cccc(c1)C[NH+]1CCC(CC1)[*:1]
Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)co2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(-c2nc(co2)CN2CCN(CC2)S(=O)(=O)[*:1])c(C)c1
Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)co2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=S(=O)(c1ccccc1)N1CCN(CC1)Cc1coc(n1)[*:1]
Cc1ccoc1[C@@H](C)[NH2+][C@H](C)c1cccc([N-]S(C)(=O)=O)c1 Cc1ccoc1[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1cccc(c1)[N-]S(C)(=O)=O
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCOCC1)OCO3 C1CN(CCO1)[*:1] O=c1[nH]c2cc3OCOc3cc2cc1[C@H](c1nnnn1Cc1ccc(F)cc1)[*:1]
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCOCC1)OCO3 Fc1ccc(cc1)[*:1] O=c1[nH]c2cc3OCOc3cc2cc1[C@H](c1nnnn1C[*:1])N1CCOCC1
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCOCC1)OCO3 Fc1ccc(cc1)C[*:1] O=c1[nH]c2cc3OCOc3cc2cc1[C@H](c1nnnn1[*:1])N1CCOCC1
CCOC[C@@H]1CCCN1C(=O)CN1C(=O)CSc2cc(C)ccc21 CCOC[*:1] Cc1ccc2c(c1)SCC(=O)N2CC(=O)N1CCC[C@H]1[*:1]
CCOC[C@@H]1CCCN1C(=O)CN1C(=O)CSc2cc(C)ccc21 CCO[*:1] Cc1ccc2c(c1)SCC(=O)N2CC(=O)N1CCC[C@H]1C[*:1]
CCCc1cc(C(=O)N2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)[nH]n1 CCC[*:1] Cc1cc2nc(cc(n2n1)C(F)(F)F)C1CCN(CC1)C(=O)c1cc(n[nH]1)[*:1]
CCCc1cc(C(=O)N2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)[nH]n1 CCCc1cc([nH]n1)[*:1] Cc1cc2nc(cc(n2n1)C(F)(F)F)C1CCN(CC1)C(=O)[*:1]
CCCc1cc(C(=O)N2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)[nH]n1 FC(F)(F)[*:1] CCCc1cc([nH]n1)C(=O)N1CCC(CC1)c1cc(n2nc(C)cc2n1)[*:1]
CCCCN(C(=O)c1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C1CCCN1c1cccc(c1)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)c1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C1CCCN1c1cccc(c1)C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)c1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 O=C1CCCN1[*:1] CCCCN(C(=O)c1cccc(c1)[*:1])[C@@H]1CCS(=O)(=O)C1
CC(=O)Nc1ccc(/C=C2/N=C(c3ccc(Br)s3)OC2=O)cc1 CC(=O)N[*:1] O=C1OC(=N/C1=C/c1ccc(cc1)[*:1])c1ccc(Br)s1
CC(=O)Nc1ccc(/C=C2/N=C(c3ccc(Br)s3)OC2=O)cc1 Brc1ccc(s1)[*:1] CC(=O)Nc1ccc(/C=C2/N=C(OC2=O)[*:1])cc1
COC(=O)C1=C(C)C(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)N1CCN(CC1)Cc1ccc(Br)s1
COC(=O)C1=C(C)C(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)=N[C@H]1C Brc1ccc(C[*:1])s1 COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)N1CCN(CC1)[*:1]
COC(=O)C1=C(C)C(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)=N[C@H]1C Brc1ccc(s1)[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)N1CCN(CC1)C[*:1]
C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)Cc1ccc(Br)s1 Brc1ccc(s1)[*:1] C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)C[*:1]
C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)Cc1ccc(Br)s1 CC(C)(C)[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1ccc(Br)s1
CC(C)c1ocnc1CS(=O)(=O)CCc1cccs1 CC(C)[*:1] O=S(=O)(CCc1cccs1)Cc1ncoc1[*:1]
CC(C)c1ocnc1CS(=O)(=O)CCc1cccs1 c1csc(c1)C[*:1] CC(C)c1ocnc1CS(=O)(=O)C[*:1]
CC(C)c1ocnc1CS(=O)(=O)CCc1cccs1 c1csc(c1)[*:1] CC(C)c1ocnc1CS(=O)(=O)CC[*:1]
CCCn1nnnc1C[S@@](=O)[C@H](C)C(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CCCn1nnnc1C[S@@](=O)[C@H](C)C(=O)N[*:1]
CCCn1nnnc1C[S@@](=O)[C@H](C)C(=O)Nc1ccc(F)cc1F CCCn1nnnc1[*:1] C[C@H](C(=O)Nc1ccc(F)cc1F)[S@](=O)C[*:1]
CCCn1nnnc1C[S@@](=O)[C@H](C)C(=O)Nc1ccc(F)cc1F CCC[*:1] C[C@H](C(=O)Nc1ccc(F)cc1F)[S@](=O)Cc1nnnn1[*:1]
CSc1ccc(CNC(=O)COc2ncnc3onc(-c4ccc(C)c(C)c4)c23)cc1 CSc1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1noc2ncnc(OCC(=O)NC[*:1])c12
CSc1ccc(CNC(=O)COc2ncnc3onc(-c4ccc(C)c(C)c4)c23)cc1 CSc1ccc(cc1)C[*:1] Cc1ccc(cc1C)-c1noc2ncnc(OCC(=O)N[*:1])c12
CSc1ccc(CNC(=O)COc2ncnc3onc(-c4ccc(C)c(C)c4)c23)cc1 Cc1ccc(cc1C)[*:1] CSc1ccc(cc1)CNC(=O)COc1ncnc2onc(c12)[*:1]
COc1ccccc1[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 COc1ccccc1[*:1] C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)[*:1]
COc1ccccc1[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] COc1ccccc1[C@H](C)NC(=O)N[C@@H](C1CC1)[*:1]
COc1ccccc1[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] COc1ccccc1[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
CCC(CC)[C@@H]1CCN(C(=O)c2oc(C)nc2C)C1 CCC(CC)[*:1] Cc1nc(C)c(o1)C(=O)N1CC[C@H](C1)[*:1]
CN(CC(=O)N1CCCC1)c1ncnc2sc3c(c12)CCCCC3 O=C(N1CCCC1)[*:1] CN(C[*:1])c1ncnc2sc3CCCCCc3c12
CN(CC(=O)N1CCCC1)c1ncnc2sc3c(c12)CCCCC3 O=C(C[*:1])N1CCCC1 CN(c1ncnc2sc3CCCCCc3c12)[*:1]
CN(C)c1nccc(O[C@H]2CC[C@H]([NH3+])C2)n1 CN(C)[*:1] [NH3+][C@H]1CC[C@@H](C1)Oc1ccnc(n1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc3ccccc3n2)c1 CC(=O)[*:1] C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc3ccccc3n2)c1 CC(=O)c1cccc(c1)[*:1] C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)N[*:1]
Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@@H]3CC=CCC3)c2)oc1C Cc1nc(oc1C)[*:1] O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1cccc(c1)[*:1]
CC(C)(C)[C@H](NC(=O)CCc1nncn1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@H](NC(=O)CCc1nncn1[*:1])c1ccccc1
CC(C)(C)[C@H](NC(=O)CCc1nncn1-c1ccccc1)c1ccccc1 CC(C)(C)[*:1] O=C(CCc1nncn1-c1ccccc1)N[C@H](c1ccccc1)[*:1]
CC(C)(C)[C@H](NC(=O)CCc1nncn1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@H](NC(=O)CCc1nncn1-c1ccccc1)[*:1]
CC(=O)CSc1nnc(NCc2ccccc2)s1 CC(=O)CS[*:1] c1ccc(cc1)CNc1nnc(s1)[*:1]
CC(=O)CSc1nnc(NCc2ccccc2)s1 c1ccc(cc1)[*:1] CC(=O)CSc1nnc(NC[*:1])s1
CC(=O)CSc1nnc(NCc2ccccc2)s1 CC(=O)[*:1] c1ccc(cc1)CNc1nnc(SC[*:1])s1
CC(=O)CSc1nnc(NCc2ccccc2)s1 CC(=O)C[*:1] c1ccc(cc1)CNc1nnc(S[*:1])s1
CCc1ocnc1C(=O)N1Cc2ccccc2N(C)C[C@@H]1C CCc1ocnc1[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)[*:1]
O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2 O=[N+]([O-])[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])N[C@H]1[C@H]2CCO[C@@H]2C12CCC2
COc1ccccc1CNC(=O)NCc1ccc(OC(C)C)nc1 CC(C)O[*:1] COc1ccccc1CNC(=O)NCc1ccc(nc1)[*:1]
COc1ccccc1CNC(=O)NCc1ccc(OC(C)C)nc1 COc1ccccc1[*:1] CC(C)Oc1ccc(cn1)CNC(=O)NC[*:1]
COc1ccccc1CNC(=O)NCc1ccc(OC(C)C)nc1 CC(C)[*:1] COc1ccccc1CNC(=O)NCc1ccc(nc1)O[*:1]
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N(CC#N)CC#N)c1nc(C#N)c(C#N)nc12 N#CC[*:1] CC1(C)[C@@]2(C)CC[C@]1(C(=O)N(CC#N)[*:1])c1nc(C#N)c(C#N)nc12
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N(CC#N)CC#N)c1nc(C#N)c(C#N)nc12 N#CCN(CC#N)C(=O)[*:1] CC1(C)[C@@]2(C)CC[C@@]1(c1nc(C#N)c(C#N)nc12)[*:1]
CCn1cc2c(n1)[C@@H](C[NH3+])CN(C(=O)OC(C)(C)C)C2 CC(C)(C)[*:1] CCn1cc2CN(C[C@H](C[NH3+])c2n1)C(=O)O[*:1]
Cc1noc(C[NH+](CCC(F)(F)F)C2CCCCC2)n1 FC(F)(F)C[*:1] Cc1noc(C[NH+](C[*:1])C2CCCCC2)n1
Cc1noc(C[NH+](CCC(F)(F)F)C2CCCCC2)n1 FC(F)(F)[*:1] Cc1noc(C[NH+](CC[*:1])C2CCCCC2)n1
Cc1noc(C[NH+](CCC(F)(F)F)C2CCCCC2)n1 FC(F)(F)CC[*:1] Cc1noc(C[NH+](C2CCCCC2)[*:1])n1
Cc1noc(C[NH+](CCC(F)(F)F)C2CCCCC2)n1 Cc1noc(n1)[*:1] FC(F)(F)CC[NH+](C[*:1])C1CCCCC1
Cc1noc(C[NH+](CCC(F)(F)F)C2CCCCC2)n1 C1CCC(CC1)[*:1] Cc1noc(C[NH+](CCC(F)(F)F)[*:1])n1
CC(C)c1cc(C(=O)N2CCCC[C@@H]2C)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)N1CCCC[C@@H]1C
CC(C)c1cc(C(=O)N2CCCC[C@@H]2C)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)c1cc(C(=O)N2CCCC[C@@H]2C)c2cnn(c2n1)[*:1]
Cc1nc(C)c(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)o1 Cc1nc(C)c(o1)[*:1] C[C@H]1CN(C[C@@H](O1)c1ccc(F)cc1)C(=O)[*:1]
Cc1nc(C)c(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)o1 Fc1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)N1C[C@H](C)O[C@@H](C1)[*:1]
Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)nc1 O=C1CCCN1[*:1] Cc1ccc(nc1)S[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)nc1 Cc1ccc(nc1)S[*:1] C[C@@H](C(=O)Nc1cccc(c1)N1CCCC1=O)[*:1]
Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)nc1 Cc1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)Nc1cccc(c1)N1CCCC1=O
C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(cc1)NC(=O)NC[*:1]
C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 C1CCC(C1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1ccc(cc1)NC(=O)NC[C@H]1CCCO1
C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 C1CO[C@H](C1)C[*:1] C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(cc1)NC(=O)N[*:1]
C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 O=C(N[*:1])C1CCCC1 C[C@H](C(=O)Nc1ccc(cc1)NC(=O)NC[C@H]1CCCO1)[*:1]
CCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)N1CCC[C@@H]1c1ccc2OCCOc2c1
O=C(NCc1ccco1)C(=O)Nc1ccc2c(c1)CCO2 c1coc(c1)C[*:1] O=C(Nc1ccc2OCCc2c1)C(=O)N[*:1]
O=C(NCc1ccco1)C(=O)Nc1ccc2c(c1)CCO2 c1coc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2OCCc2c1
Cc1sc2nc(S[C@H](C(=O)NC3CC3)c3ccc(F)cc3)nc(N)c2c1C C1CC1[*:1] Cc1sc2nc(nc(N)c2c1C)S[C@H](C(=O)N[*:1])c1ccc(F)cc1
Cc1sc2nc(S[C@H](C(=O)NC3CC3)c3ccc(F)cc3)nc(N)c2c1C Fc1ccc(cc1)[*:1] Cc1sc2nc(nc(N)c2c1C)S[C@H](C(=O)NC1CC1)[*:1]
Cc1sc2nc(S[C@H](C(=O)NC3CC3)c3ccc(F)cc3)nc(N)c2c1C O=C(NC1CC1)[*:1] Cc1sc2nc(nc(N)c2c1C)S[C@H](c1ccc(F)cc1)[*:1]
N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccccc2F)cc1 N#Cc1ccccc1[*:1] O=C(NCc1ccccc1F)C(=O)Nc1ccc(cc1)O[*:1]
N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccccc2F)cc1 Fc1ccccc1C[*:1] N#Cc1ccccc1Oc1ccc(cc1)NC(=O)C(=O)N[*:1]
N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccccc2F)cc1 N#Cc1ccccc1O[*:1] O=C(NCc1ccccc1F)C(=O)Nc1ccc(cc1)[*:1]
N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCc2ccccc2F)cc1 Fc1ccccc1[*:1] N#Cc1ccccc1Oc1ccc(cc1)NC(=O)C(=O)NC[*:1]
O=S(=O)(CCC1CC1)NC1CCN(c2cccc(F)c2)CC1 C1CC1C[*:1] O=S(=O)(C[*:1])NC1CCN(CC1)c1cccc(F)c1
O=S(=O)(CCC1CC1)NC1CCN(c2cccc(F)c2)CC1 C1CC1[*:1] O=S(=O)(CC[*:1])NC1CCN(CC1)c1cccc(F)c1
O=S(=O)(CCC1CC1)NC1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=S(=O)(CCC1CC1)NC1CCN(CC1)[*:1]
O=S(=O)(CCC1CC1)NC1CCN(c2cccc(F)c2)CC1 C1CC1CC[*:1] O=S(=O)(NC1CCN(CC1)c1cccc(F)c1)[*:1]
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H](c1ccccc1)C1CC1 CCN(CC)C(=O)[*:1] O=C(N[C@H](c1ccccc1)C1CC1)N1CCC[C@H]1[*:1]
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H](c1ccccc1)C1CC1 C1CC1[*:1] CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H](c1ccccc1)[*:1]
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H](C1CC1)[*:1]
CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1cc(OC)c(C)cc1C CCNC(=O)[*:1] COc1cc(c(C)cc1C)S(=O)(=O)N1C[C@@H]([NH3+])C[C@H]1[*:1]
Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)c1C Cc1cccc(c1C)[*:1] O=C(CCS(=O)(=O)c1cc2CCC(=O)N3CCc(c1)c23)N1CCN(CC1)[*:1]
Cc1cc(C(=O)NCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccc(Cl)cc1)[*:1]
Cc1cc(C(=O)NCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(C)o1 Clc1ccc(cc1)[*:1] Cc1cc(C(=O)NCC[NH+]2CCN(CC2)[*:1])c(C)o1
[NH3+]C[C@H](O)Cn1c(C(F)(F)F)nc2ccccc21 FC(F)(F)[*:1] [NH3+]C[C@H](O)Cn1c(nc2ccccc21)[*:1]
O=C(CSc1cccs1)Nc1ccc(C(=O)NC2CC2)cc1 C1CC1[*:1] O=C(CSc1cccs1)Nc1ccc(cc1)C(=O)N[*:1]
O=C(CSc1cccs1)Nc1ccc(C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] O=C(CSc1cccs1)Nc1ccc(cc1)[*:1]
O=C(CSc1cccs1)Nc1ccc(C(=O)NC2CC2)cc1 c1csc(c1)SC[*:1] O=C(NC1CC1)c1ccc(cc1)NC(=O)[*:1]
O=C(CSc1cccs1)Nc1ccc(C(=O)NC2CC2)cc1 c1csc(c1)[*:1] O=C(CS[*:1])Nc1ccc(cc1)C(=O)NC1CC1
O=C(CSc1cccs1)Nc1ccc(C(=O)NC2CC2)cc1 c1csc(c1)S[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)NC1CC1
O=C1S/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1S/C(=C/c2ccc(cc2)C(F)(F)F)C(=O)N1C[*:1]
O=C1S/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 FC(F)(F)[*:1] O=C1S/C(=C/c2ccc(cc2)[*:1])C(=O)N1Cc1ccc(cc1)[N+](=O)[O-]
O=C1S/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C1S/C(=C/c2ccc(cc2)C(F)(F)F)C(=O)N1Cc1ccc(cc1)[*:1]
CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)[*:1]
CC[NH2+][C@H](C)c1ccnc(N(C)Cc2cccc(C)n2)c1 Cc1cccc(n1)[*:1] CC[NH2+][C@H](C)c1ccnc(c1)N(C)C[*:1]
O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc2c(c1)OCO2 C1CSC(S1)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccc2OCOc2c1
CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2csc(N3CCCC3)n2)C1 CC(C)=C[*:1] C[C@]1(CCC(=O)N(Cc2csc(n2)N2CCCC2)C1)CC[*:1]
CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2csc(N3CCCC3)n2)C1 CC(C)=CC[*:1] C[C@]1(CCC(=O)N(Cc2csc(n2)N2CCCC2)C1)C[*:1]
CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2csc(N3CCCC3)n2)C1 CC(C)=CCC[*:1] C[C@@]1(CCC(=O)N(Cc2csc(n2)N2CCCC2)C1)[*:1]
CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2csc(N3CCCC3)n2)C1 C1CCN(C1)[*:1] CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2csc(n2)[*:1])C1
CC(C)Cn1ncc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C(F)F CC(C)C[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)c1cnn(c1C(F)F)[*:1]
CC(C)Cn1ncc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C(F)F CC(C)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)c1cnn(C[*:1])c1C(F)F
CC(C)Cn1ncc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C(F)F FC(F)[*:1] CC(C)Cn1ncc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[*:1]
Cc1ccc2nc(N)n(CC[NH+](C)C(C)C)c2c1 CC(C)[*:1] Cc1ccc2nc(N)n(CC[NH+](C)[*:1])c2c1
COc1cc(OC)cc([C@@H](NC(=O)c2ccc(Br)cc2F)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cc(cc(c1)[C@@H](NC(=O)c1ccc(Br)cc1F)[*:1])OC
COc1cc(OC)cc([C@@H](NC(=O)c2ccc(Br)cc2F)c2nccn2C)c1 Fc1cc(Br)ccc1[*:1] COc1cc(cc(c1)[C@@H](NC(=O)[*:1])c1nccn1C)OC
O=C1C[C@@H](Nc2ccccc2O)C(=O)N1c1ccccc1Cl Clc1ccccc1[*:1] O=C1C[C@@H](Nc2ccccc2O)C(=O)N1[*:1]
O=C1C[C@@H](Nc2ccccc2O)C(=O)N1c1ccccc1Cl Oc1ccccc1[*:1] O=C1C[C@@H](N[*:1])C(=O)N1c1ccccc1Cl
Cc1c(C(=O)N(C)CC[NH+](C)C)[nH]c2c1C(=O)C[C@H](c1ccco1)C2 c1coc(c1)[*:1] Cc1c([nH]c2C[C@@H](CC(=O)c21)[*:1])C(=O)N(C)CC[NH+](C)C
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCc1ccc(O)cc1 Oc1ccc(cc1)CC[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCc1ccc(O)cc1 c1ccc(cc1)[*:1] N#C[C@@H]([C@@H]1CCCN1C(=O)NCCCc1ccc(O)cc1)[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCC[*:1]
COCCn1nc(C)c(Nc2ncc(Br)cn2)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1Nc1ncc(Br)cn1
COCCn1nc(C)c(Nc2ncc(Br)cn2)c1C COCC[*:1] Cc1nn(c(C)c1Nc1ncc(Br)cn1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)NC2CCC(O)CC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)NC2CCC(O)CC2)c(C)c1[*:1]
CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC[C@@H]([NH2+][C@@H]1CCN(C1)C(C)=O)[*:1]
O=C(Cc1ccc2c(c1)CCCC2)NCCNS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccc2CCCCc2c1)NCCNS(=O)(=O)[*:1]
C=CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C)c(C)cc21 C=CC[*:1] Cc1cc2s/c(=N\C(=O)[C@@H]3CCCN(C3)S(C)(=O)=O)n(c2cc1C)[*:1]
O=C(Cn1cnc2cc(F)c(F)cc21)NC1CC1 C1CC1[*:1] O=C(Cn1cnc2cc(F)c(F)cc21)N[*:1]
O=C(Cn1cnc2cc(F)c(F)cc21)NC1CC1 O=C(NC1CC1)[*:1] Fc1cc2ncn(C[*:1])c2cc1F
CCN(C(=O)/C=C/c1ccc(F)cc1)[C@H](C)c1cccc(OC)c1 Fc1ccc(cc1)[*:1] CCN(C(=O)C=C[*:1])[C@H](C)c1cccc(c1)OC
CCN(C(=O)/C=C/c1ccc(F)cc1)[C@H](C)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(C(=O)/C=C/c1ccc(F)cc1)[C@H](C)[*:1]
C[C@@H](C(=O)NC1CC1)N1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 C1CC1[*:1] C[C@@H](C(=O)N[*:1])N1CC[NH+](CC1)[C@@H]1CC[C@@H](C)C1
C[C@@H](C(=O)NC1CC1)N1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 O=C(NC1CC1)[*:1] C[C@@H](N1CC[NH+](CC1)[C@@H]1CC[C@@H](C)C1)[*:1]
O=C(CCn1cc(Br)cn1)Nc1ccc(Br)cc1F Brc1cnn(c1)[*:1] O=C(CC[*:1])Nc1ccc(Br)cc1F
O=S1(=O)CC[C@H](C(CO)(CO)CCC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)C[*:1] O=S1(=O)CC[C@@H](C1)C(CO)(CO)CC[*:1]
O=S1(=O)CC[C@H](C(CO)(CO)CCC[C@@H]2CCCO2)C1 C1CO[C@@H](C1)[*:1] O=S1(=O)CC[C@@H](C1)C(CO)(CO)CCC[*:1]
NC(=O)c1cccc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])N1CCN(CC1)c1ccccc1Cl
NC(=O)c1cccc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)c1 Clc1ccccc1[*:1] NC(=O)c1cccc(c1)CNC(=O)N1CCN(CC1)[*:1]
C[C@H](Cc1cccs1)NC(=O)N(C)Cc1cccc(Cl)c1 c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)N(C)Cc1cccc(Cl)c1
C[C@H](Cc1cccs1)NC(=O)N(C)Cc1cccc(Cl)c1 c1csc(c1)C[*:1] C[C@H](NC(=O)N(C)Cc1cccc(Cl)c1)[*:1]
C[C@H](Cc1cccs1)NC(=O)N(C)Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](Cc1cccs1)NC(=O)N(C)C[*:1]
C[C@H]1C[C@H](Nc2ncccc2C#N)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](Nc2ncccc2C#N)C(=O)N1[*:1]
Cc1nc2nc(SCc3cc(=O)n4ccccc4n3)nn2c(C)c1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2nc(nn2c(C)c1C[*:1])SCc1cc(=O)n2ccccc2n1
Cc1nc2nc(SCc3cc(=O)n4ccccc4n3)nn2c(C)c1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc2nc(nn2c(C)c1[*:1])SCc1cc(=O)n2ccccc2n1
N/C(=N/OCC(=O)NC1CC1)[C@@H]1CCOC1 C1CC1[*:1] N/C(=N/OCC(=O)N[*:1])[C@@H]1CCOC1
N/C(=N/OCC(=O)NC1CC1)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] N/C(=N/OCC(=O)NC1CC1)[*:1]
Cc1cc(C(=O)N2CCC(c3nnc(Cn4ccnc4)n3C)CC2)no1 Cc1cc(no1)[*:1] Cn1c(Cn2ccnc2)nnc1C1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCC(c3nnc(Cn4ccnc4)n3C)CC2)no1 c1cn(cn1)[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)c1nnc(C[*:1])n1C
Cc1cc(C(=O)N2CCC(c3nnc(Cn4ccnc4)n3C)CC2)no1 c1cn(cn1)C[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)c1nnc(n1C)[*:1]
COC(=O)C1(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CCSCC1 COC(=O)[*:1] O=C(NC1(CCSCC1)[*:1])c1cccc(c1)C[NH+]1CCCC1
C=CCN(Cc1[nH]nc([O-])[nH+]1)Cc1ccccc1F C=CC[*:1] [O-]c1n[nH]c(CN(Cc2ccccc2F)[*:1])[nH+]1
CC(C)(C)CC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 CC(C)(C)[*:1] O=C(C[*:1])Nc1nnc(s1)[C@H]1CC(=O)N(C1)c1ccc(F)cc1
CC(C)(C)CC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 Fc1ccc(cc1)[*:1] CC(C)(C)CC(=O)Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)(C)CC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 CC(C)(C)C[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1nnc(NC(=O)[*:1])s1
CC(C)(C)CC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 CC(C)(C)CC(=O)N[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1nnc(s1)[*:1]
C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](Nc1ccc(c2cccnc12)[N+](=O)[O-])c1cccc(c1)[*:1]
C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)c1cccc(C(F)(F)F)c1 O=[N+]([O-])[*:1] C[C@@H](Nc1ccc(c2cccnc12)[*:1])c1cccc(c1)C(F)(F)F
O=C(NCc1ccc(Cl)cc1)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 c1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)Nc1cc(ncn1)N1CCN(CC1)[*:1]
O=C(NCc1ccc(Cl)cc1)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 Clc1ccc(cc1)C[*:1] O=C(Nc1cc(ncn1)N1CCN(CC1)c1ccccc1)N[*:1]
O=C(NCc1ccc(Cl)cc1)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])Nc1cc(ncn1)N1CCN(CC1)c1ccccc1
Cc1nc(C2CCCC2)sc1C(=O)N(CC(=O)N(C)C)c1ccccc1 CN(C)C(=O)C[*:1] Cc1nc(sc1C(=O)N(c1ccccc1)[*:1])C1CCCC1
Cc1nc(C2CCCC2)sc1C(=O)N(CC(=O)N(C)C)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N(CC(=O)N(C)C)[*:1])C1CCCC1
Cc1nc(C2CCCC2)sc1C(=O)N(CC(=O)N(C)C)c1ccccc1 CN(C)C(=O)[*:1] Cc1nc(sc1C(=O)N(C[*:1])c1ccccc1)C1CCCC1
Cc1nc(C2CCCC2)sc1C(=O)N(CC(=O)N(C)C)c1ccccc1 C1CCC(C1)[*:1] Cc1nc(sc1C(=O)N(CC(=O)N(C)C)c1ccccc1)[*:1]
COC(=O)[C@H]1CCN(C(=O)c2cnc3ccccn3c2=O)c2ccccc21 COC(=O)[*:1] O=C(c1cnc2ccccn2c1=O)N1CC[C@@H](c2ccccc21)[*:1]
C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC2(CS(C)(=O)=O)CCC2)C1=O CS(=O)(=O)[*:1] C[C@@]1(NC(=O)N(CC2(CCC2)C[*:1])C1=O)c1ccc(Cl)cc1Cl
C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC2(CS(C)(=O)=O)CCC2)C1=O Clc1ccc(c(Cl)c1)[*:1] C[C@@]1(NC(=O)N(CC2(CCC2)CS(C)(=O)=O)C1=O)[*:1]
C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC2(CS(C)(=O)=O)CCC2)C1=O CS(=O)(=O)C[*:1] C[C@@]1(NC(=O)N(CC2(CCC2)[*:1])C1=O)c1ccc(Cl)cc1Cl
CC(C)(c1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1 c1ccc(cc1)[*:1] CC(C)(c1ccc(cc1)OCC[NH+]1CCCC1)[*:1]
N#Cc1ccc2nc(N3CC[C@H](c4ccccc4)C3)ccc2c1 c1ccc(cc1)[*:1] N#Cc1ccc2nc(ccc2c1)N1CC[C@H](C1)[*:1]
COc1ccccc1C(=O)NCCC(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccccc1C(=O)NCCC(=O)NC[*:1]
COc1ccccc1C(=O)NCCC(=O)NCc1ccc(Cl)cc1 COc1ccccc1[*:1] O=C(CCNC(=O)[*:1])NCc1ccc(Cl)cc1
COc1ccccc1C(=O)NCCC(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COc1ccccc1C(=O)NCCC(=O)N[*:1]
CN(C)C(=O)CCCn1ccc(NCc2ccncc2)n1 c1cc(ccn1)[*:1] CN(C)C(=O)CCCn1ccc(n1)NC[*:1]
CN(C)C(=O)CCCn1ccc(NCc2ccncc2)n1 CN(C)C(=O)[*:1] c1cc(ccn1)CNc1ccn(CCC[*:1])n1
CN(C)C(=O)CCCn1ccc(NCc2ccncc2)n1 CN(C)C(=O)CC[*:1] c1cc(ccn1)CNc1ccn(C[*:1])n1
CN(C)C(=O)CCCn1ccc(NCc2ccncc2)n1 c1cc(ccn1)C[*:1] CN(C)C(=O)CCCn1ccc(n1)N[*:1]
CN(C)C(=O)CCCn1ccc(NCc2ccncc2)n1 CN(C)C(=O)C[*:1] c1cc(ccn1)CNc1ccn(CC[*:1])n1
O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 C1CO[C@H](C1)C[*:1] O=C(N[*:1])[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12
O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 O=C(NC[C@H]1CCCO1)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])N1CCn2c1nc1ccccc12
O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 c1ccc(cc1)C[*:1] O=C(NC[C@H]1CCCO1)[C@H](NC(=O)N1CCn2c1nc1ccccc12)[*:1]
O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)[C@H](C[*:1])NC(=O)N1CCn2c1nc1ccccc12
O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 C1CO[C@H](C1)[*:1] O=C(NC[*:1])[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12
COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCC4=c5ccccc5=[NH+][C@@H]4[C@@H]3C[C@H]12 COC(=O)[*:1] C[C@@H]1OC=C([C@H]2C[C@H]3[C@H]4[NH+]=c5ccccc5=C4CCN3C[C@H]12)[*:1]
CC(=O)Nc1ccc(NC(=O)COCC[NH3+])cc1Cl CC(=O)N[*:1] [NH3+]CCOCC(=O)Nc1ccc(c(Cl)c1)[*:1]
O=C(Nc1nnc(-c2cccc(F)c2)o1)c1ccno1 c1cc(on1)[*:1] O=C(Nc1nnc(o1)-c1cccc(F)c1)[*:1]
CC(C)Cc1cc(-c2c(C#N)c(N)nc3c2CN(C)CC3)n[nH]1 CC(C)C[*:1] CN1CCc2nc(N)c(C#N)c(-c3cc([nH]n3)[*:1])c2C1
CC(C)Cc1cc(-c2c(C#N)c(N)nc3c2CN(C)CC3)n[nH]1 CC(C)[*:1] CN1CCc2nc(N)c(C#N)c(-c3cc(C[*:1])[nH]n3)c2C1
CN(Cc1nccn1C(F)F)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 FC(F)n1ccnc1C[*:1] CN(C(=O)c1cccc(c1)NC(=O)[C@H]1CCCO1)[*:1]
CN(Cc1nccn1C(F)F)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 FC(F)n1ccnc1[*:1] CN(C[*:1])C(=O)c1cccc(c1)NC(=O)[C@H]1CCCO1
CN(Cc1nccn1C(F)F)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 FC(F)[*:1] CN(Cc1nccn1[*:1])C(=O)c1cccc(c1)NC(=O)[C@H]1CCCO1
CN(Cc1nccn1C(F)F)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 O=C(N[*:1])[C@H]1CCCO1 CN(Cc1nccn1C(F)F)C(=O)c1cccc(c1)[*:1]
C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)N(C)[*:1]
Cn1cc(S(=O)(=O)N2CCN(c3ncccc3F)CC2)cn1 Fc1cccnc1[*:1] Cn1cc(cn1)S(=O)(=O)N1CCN(CC1)[*:1]
Cn1cc(S(=O)(=O)N2CCN(c3ncccc3F)CC2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(N1CCN(CC1)c1ncccc1F)[*:1]
Cc1nccc(-c2cnn(CC(=O)Nc3ccn(Cc4ccccc4)n3)c2)n1 c1ccc(cc1)[*:1] Cc1nccc(n1)-c1cnn(c1)CC(=O)Nc1ccn(C[*:1])n1
Cc1nccc(-c2cnn(CC(=O)Nc3ccn(Cc4ccccc4)n3)c2)n1 c1ccc(cc1)C[*:1] Cc1nccc(n1)-c1cnn(c1)CC(=O)Nc1ccn(n1)[*:1]
Cc1nccc(-c2cnn(CC(=O)Nc3ccn(Cc4ccccc4)n3)c2)n1 Cc1nccc(n1)[*:1] O=C(Cn1cc(cn1)[*:1])Nc1ccn(Cc2ccccc2)n1
C[C@@H](C(=O)N1CCC(NC(N)=O)CC1)c1ccc2ccccc2c1 NC(=O)N[*:1] C[C@@H](C(=O)N1CCC(CC1)[*:1])c1ccc2ccccc2c1
Cc1cc(NC(=O)c2cc(CC(C)C)n[nH]2)[nH]n1 CC(C)C[*:1] Cc1cc(NC(=O)c2cc(n[nH]2)[*:1])[nH]n1
Cc1cc(NC(=O)c2cc(CC(C)C)n[nH]2)[nH]n1 Cc1cc([nH]n1)[*:1] CC(C)Cc1cc([nH]n1)C(=O)N[*:1]
Cc1cc(NC(=O)c2cc(CC(C)C)n[nH]2)[nH]n1 CC(C)[*:1] Cc1cc(NC(=O)c2cc(C[*:1])n[nH]2)[nH]n1
Cn1c(NCCC[NH2+]C2CCCCC2)cc(=O)n(C)c1=O C1CCC(CC1)[*:1] Cn1c(cc(=O)n(C)c1=O)NCCC[NH2+][*:1]
Cc1ccc(OCC(=O)N2CCO[C@H](c3noc(C)n3)C2)cc1 Cc1nc(no1)[*:1] Cc1ccc(cc1)OCC(=O)N1CCO[C@H](C1)[*:1]
Cc1ccc(OCC(=O)N2CCO[C@H](c3noc(C)n3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(no1)[C@@H]1CN(CCO1)C(=O)CO[*:1]
C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(c2ccc(F)cc2)CC1 Clc1ccc(nc1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)c1ccc(F)cc1
C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(CC1)[*:1]
O=C(c1cccc(F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] O=C(c1cccc(F)c1)N1CCN(CC1)c1cccc(c1)[*:1]
O=C(c1cccc(F)c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 Fc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1cccc(c1)[N+](=O)[O-])[*:1]
C1CN([C@H]2CC[C@H]3S[C@@H]2CC[C@H]3N2CCOCC2)CCO1 C1CN(CCO1)[*:1] C1CN(CCO1)[C@@H]1CC[C@H]2S[C@@H]1CC[C@@H]2[*:1]
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2CSc2nc3ccccc3o2)c(C)c1 c1ccc2oc(nc2c1)S[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2C[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2CSc2nc3ccccc3o2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccccc1CSc1nc2ccccc2o1
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2CSc2nc3ccccc3o2)c(C)c1 c1ccc2oc(nc2c1)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2CS[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2CSc2nc3ccccc3o2)c(C)c1 c1ccc2oc(nc2c1)SC[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2[*:1])c(C)c1
O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCCC1=CCCCC1 c1ccc(cc1)[*:1] O=C(CN1C[C@@H](CC1=O)[*:1])NCCC1=CCCCC1
C[C@@H](CCc1ccccc1)NC(=O)NNc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)NN[*:1]
C[C@@H](CCc1ccccc1)NC(=O)NNc1ccc(F)cc1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)NNc1ccc(F)cc1
C[C@@H](CCc1ccccc1)NC(=O)NNc1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)NNc1ccc(F)cc1
Cc1ccc(N[C@H]2c3ccccc3C(=O)N2c2cccnc2)cc1Cl c1cncc(c1)[*:1] Cc1ccc(cc1Cl)N[C@H]1c2ccccc2C(=O)N1[*:1]
Cc1ccc(N[C@H]2c3ccccc3C(=O)N2c2cccnc2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C1c2ccccc2[C@H](N[*:1])N1c1cccnc1
CCc1cccc(C)c1NC(=O)C[S@@](=O)c1ccc(COC)cc1 COC[*:1] CCc1cccc(C)c1NC(=O)C[S@@](=O)c1ccc(cc1)[*:1]
C/[NH+]=C(/NCCc1nc(C)no1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] C/[NH+]=C(/NCCc1nc(C)no1)N[C@@H]1CCN(C1)[*:1]
C/[NH+]=C(/NCCc1nc(C)no1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 Cc1noc(n1)[*:1] C/[NH+]=C(/NCC[*:1])N[C@@H]1CCN(C1)c1ccc(F)cc1F
C/[NH+]=C(/NCCc1nc(C)no1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 Cc1noc(C[*:1])n1 C/[NH+]=C(/NC[*:1])N[C@@H]1CCN(C1)c1ccc(F)cc1F
C/[NH+]=C(/NCCc1nc(C)no1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 Cc1noc(CC[*:1])n1 C/[NH+]=C(\N[C@@H]1CCN(C1)c1ccc(F)cc1F)N[*:1]
O=C(Cn1c(=O)[nH]n(-c2ccccc2)c1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)[nH]n(-c2ccccc2)c1=O)N1CCN(CC1)[*:1]
O=C(Cn1c(=O)[nH]n(-c2ccccc2)c1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)[nH]n(c1=O)[*:1])N1CCN(CC1)c1ccccc1
Cc1c(C(=O)N(CC#N)CC#N)oc2c1C1(CCC2)SCCS1 N#CC[*:1] Cc1c(oc2CCCC3(SCCS3)c21)C(=O)N(CC#N)[*:1]
Cc1nc2ccccn2c1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 c1ccc2[nH]c(nc2c1)[*:1] Cc1nc2ccccn2c1C(=O)N1CCC[C@@H](C1)[*:1]
C[C@@H](CNC(=O)c1occc1Br)c1ccc(F)cc1F Brc1ccoc1[*:1] C[C@@H](CNC(=O)[*:1])c1ccc(F)cc1F
CCOc1cccc2sc(NC(=O)COc3ccccc3C)nc12 CCO[*:1] Cc1ccccc1OCC(=O)Nc1nc2c(cccc2s1)[*:1]
CCOc1cccc2sc(NC(=O)COc3ccccc3C)nc12 Cc1ccccc1O[*:1] CCOc1cccc2sc(nc12)NC(=O)C[*:1]
CCOc1cccc2sc(NC(=O)COc3ccccc3C)nc12 Cc1ccccc1[*:1] CCOc1cccc2sc(nc12)NC(=O)CO[*:1]
CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)N1CCC[C@@H]1[*:1]
CC1(C)CC(NCCC(N)=O)CC(C)(C)[NH2+]1 NC(=O)C[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC[*:1]
CC1(C)CC(NCCC(N)=O)CC(C)(C)[NH2+]1 NC(=O)CC[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)N[*:1]
CC1(C)CC(NCCC(N)=O)CC(C)(C)[NH2+]1 NC(=O)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NCC[*:1]
c1ccc(-c2cnc(C[NH2+]C[C@@H]3CN(C4CC4)CCO3)s2)cc1 C1CC1[*:1] c1ccc(cc1)-c1cnc(C[NH2+]C[C@@H]2CN(CCO2)[*:1])s1
c1ccc(-c2cnc(C[NH2+]C[C@@H]3CN(C4CC4)CCO3)s2)cc1 c1ccc(cc1)[*:1] c1nc(C[NH2+]C[C@@H]2CN(CCO2)C2CC2)sc1[*:1]
COc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1OCc1ccncc1 c1cc(ccn1)CO[*:1] COc1ccc(cc1[*:1])NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O
COc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1OCc1ccncc1 c1cc(ccn1)C[*:1] COc1ccc(cc1O[*:1])NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O
COc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1OCc1ccncc1 c1cc(ccn1)[*:1] COc1ccc(cc1OC[*:1])NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O
O=C(NCc1nnc2n1CCC2)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(NCc1nnc2CCCn21)c1ccc(cc1Cl)[*:1]
O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(COc1cccc(c1)C(F)(F)F)Nc1ccc(cc1)[*:1]
O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(COc1cccc(c1)C(F)(F)F)Nc1ccc(cc1)O[*:1]
O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)F)cc1 FC(F)(F)[*:1] O=C(COc1cccc(c1)[*:1])Nc1ccc(cc1)OC(F)F
Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)c2ccc(cc2)S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)n(n1)[*:1]
CN1CCN(c2cccc(NC(=O)c3n[nH]c4ccccc34)c2)C1=O CN1CCN(C1=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1n[nH]c2ccccc12
CC(C)Oc1ncnc(N2C[C@@H](C(N)=O)CC[C@H]2C)c1N CC(C)[*:1] C[C@@H]1CC[C@@H](CN1c1ncnc(O[*:1])c1N)C(N)=O
CC(C)Oc1ncnc(N2C[C@@H](C(N)=O)CC[C@H]2C)c1N CC(C)O[*:1] C[C@@H]1CC[C@@H](CN1c1ncnc(c1N)[*:1])C(N)=O
CC(C)Oc1ncnc(N2C[C@@H](C(N)=O)CC[C@H]2C)c1N NC(=O)[*:1] CC(C)Oc1ncnc(c1N)N1C[C@@H](CC[C@H]1C)[*:1]
Cc1cccc(N2CCN(C(=O)Cn3cc(NC(=O)CSc4ccccc4)cn3)CC2)n1 c1ccc(cc1)[*:1] Cc1cccc(n1)N1CCN(CC1)C(=O)Cn1cc(cn1)NC(=O)CS[*:1]
Cc1cccc(N2CCN(C(=O)Cn3cc(NC(=O)CSc4ccccc4)cn3)CC2)n1 c1ccc(cc1)S[*:1] Cc1cccc(n1)N1CCN(CC1)C(=O)Cn1cc(cn1)NC(=O)C[*:1]
Cc1cccc(N2CCN(C(=O)Cn3cc(NC(=O)CSc4ccccc4)cn3)CC2)n1 Cc1cccc(n1)[*:1] O=C(CSc1ccccc1)Nc1cnn(c1)CC(=O)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(C(=O)Cn3cc(NC(=O)CSc4ccccc4)cn3)CC2)n1 c1ccc(cc1)SC[*:1] Cc1cccc(n1)N1CCN(CC1)C(=O)Cn1cc(cn1)NC(=O)[*:1]
Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)ccc1Oc1cccnc1 c1cncc(c1)O[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@@H]1C[C@H]1c1ccco1
Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)ccc1Oc1cccnc1 c1coc(c1)[*:1] Cc1cc(ccc1Oc1cccnc1)NC(=O)[C@@H]1C[C@@H]1[*:1]
Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)ccc1Oc1cccnc1 c1cncc(c1)[*:1] Cc1cc(ccc1O[*:1])NC(=O)[C@@H]1C[C@H]1c1ccco1
CC[C@H](Sc1nncn2c1cc1sccc12)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@H](Sc1nncn2c1cc1sccc12)C(=O)N[*:1]
COc1ccc(Cn2c(C(F)(F)F)nc3ccc(N)cc3c2=O)cc1 COc1ccc(cc1)[*:1] Nc1ccc2nc(n(C[*:1])c(=O)c2c1)C(F)(F)F
COc1ccc(Cn2c(C(F)(F)F)nc3ccc(N)cc3c2=O)cc1 FC(F)(F)[*:1] COc1ccc(cc1)Cn1c(nc2ccc(N)cc2c1=O)[*:1]
O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)c1cc[nH]c(=O)c1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1Cc1cnn(c1)[*:1])c1cc[nH]c(=O)c1
O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)c1cc[nH]c(=O)c1 O=c1cc(cc[nH]1)[*:1] O=C(Nc1ccnn1Cc1cnn(c1)-c1ccccc1)[*:1]
[NH3+]C[C@H](CC(=O)NC1CC1)N1CCn2cnnc2C1 O=C(NC1CC1)[*:1] [NH3+]C[C@H](C[*:1])N1CCn2cnnc2C1
[NH3+]C[C@H](CC(=O)NC1CC1)N1CCn2cnnc2C1 C1CC1[*:1] [NH3+]C[C@H](CC(=O)N[*:1])N1CCn2cnnc2C1
Cc1cc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)nc(C)n1 Cc1cc(nc(C)n1)[*:1] CC(C)c1noc(n1)[C@H](C)N1CCN(CC1)[*:1]
Cc1cc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)nc(C)n1 CC(C)[*:1] Cc1cc(nc(C)n1)N1CCN(CC1)[C@@H](C)c1nc(no1)[*:1]
Cc1cc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)nc(C)n1 CC(C)c1noc(n1)[*:1] Cc1cc(nc(C)n1)N1CCN(CC1)[C@@H](C)[*:1]
CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1nc(N)c2c(n1)NC1CC(C)(C)CC(=O)C=1[C@@H]2[*:1]
CN(C)C(=O)C1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1 O=C1CCCN1[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)Cc1csc(n1)[*:1]
CN(C)C(=O)C1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1 CN(C)C(=O)[*:1] O=C(Cc1csc(n1)N1CCCC1=O)N1CCC(CC1)[*:1]
Cc1cc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)ccc1F Cc1cc(ccc1F)[*:1] O=S1(=O)CC[C@H](C1)n1nc(cc1NS(=O)(=O)[*:1])-c1ccco1
Cc1cc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)ccc1F c1coc(c1)[*:1] Cc1cc(ccc1F)S(=O)(=O)Nc1cc(nn1[C@@H]1CCS(=O)(=O)C1)[*:1]
CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2nc(C)no2)cc1 CCC[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)N(C[C@@H]1CCCCO1)[*:1]
CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2nc(C)no2)cc1 C1CC[C@@H](C[*:1])OC1 CCCN(C(=O)c1ccc(cc1)-c1nc(C)no1)[*:1]
CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2nc(C)no2)cc1 Cc1noc(n1)[*:1] CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(cc1)[*:1]
CC[C@H](OC(=O)[C@H]1OCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](OC(=O)[C@H]1OCC[C@@H]1C)c1cccc(c1)[*:1]
COCc1cc(C(=O)N[C@@H](C)c2nc(C)cs2)ccc1F COC[*:1] Cc1csc(n1)[C@H](C)NC(=O)c1ccc(F)c(c1)[*:1]
COCc1cc(C(=O)N[C@@H](C)c2nc(C)cs2)ccc1F Cc1csc(n1)[*:1] COCc1cc(ccc1F)C(=O)N[C@@H](C)[*:1]
Nc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 O=[N+]([O-])[*:1] Nc1nc2NC(=O)C[C@@H](c3cccc(c3)[*:1])n2n1
Cc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C)c2[O-])cc1C Cc1ccc(cc1C)[*:1] Cc1c(C(=O)[C@@H](C)O[*:1])c([O-])n(C)c(=O)c1C#N
CCCn1ccc2cc(NC(=O)NCCn3cccc3)ccc21 c1ccn(c1)[*:1] CCCn1ccc2cc(ccc21)NC(=O)NCC[*:1]
CCCn1ccc2cc(NC(=O)NCCn3cccc3)ccc21 c1ccn(c1)C[*:1] CCCn1ccc2cc(ccc21)NC(=O)NC[*:1]
CCCn1ccc2cc(NC(=O)NCCn3cccc3)ccc21 c1ccn(c1)CC[*:1] CCCn1ccc2cc(ccc21)NC(=O)N[*:1]
CCCn1ccc2cc(NC(=O)NCCn3cccc3)ccc21 CCC[*:1] O=C(NCCn1cccc1)Nc1ccc2c(ccn2[*:1])c1
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)cc1 CCc1ccc(cc1)[*:1] N#C/C(=C\c1ccc(cc1)OC(F)F)C(=O)N[*:1]
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)cc1 FC(F)[*:1] CCc1ccc(cc1)NC(=O)/C(C#N)=C/c1ccc(cc1)O[*:1]
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)cc1 FC(F)O[*:1] CCc1ccc(cc1)NC(=O)/C(C#N)=C/c1ccc(cc1)[*:1]
COc1ncccc1CNC(=O)NNC(=O)CCC(C)C CC(C)C[*:1] COc1ncccc1CNC(=O)NNC(=O)C[*:1]
COc1ncccc1CNC(=O)NNC(=O)CCC(C)C CC(C)CC[*:1] COc1ncccc1CNC(=O)NNC(=O)[*:1]
COc1ncccc1CNC(=O)NNC(=O)CCC(C)C CC(C)[*:1] COc1ncccc1CNC(=O)NNC(=O)CC[*:1]
N#Cc1ccc(NC(=O)CCN2CCO[C@@H](c3cccc(F)c3)C2)cc1Cl N#Cc1ccc(cc1Cl)[*:1] O=C(CCN1CCO[C@H](C1)c1cccc(F)c1)N[*:1]
N#Cc1ccc(NC(=O)CCN2CCO[C@@H](c3cccc(F)c3)C2)cc1Cl Fc1cccc(c1)[*:1] N#Cc1ccc(cc1Cl)NC(=O)CCN1CCO[C@@H](C1)[*:1]
Cc1cc(C)cc(OCCNC(=O)Nc2cnn(-c3ncccn3)c2)c1 c1cnc(nc1)[*:1] Cc1cc(C)cc(c1)OCCNC(=O)Nc1cnn(c1)[*:1]
Cc1cc(C)cc(OCCNC(=O)Nc2cnn(-c3ncccn3)c2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCO[*:1])Nc1cnn(c1)-c1ncccn1
C[C@H](Cn1cccn1)[NH2+]Cc1ccc(Br)s1 c1cnn(c1)[*:1] C[C@H](C[*:1])[NH2+]Cc1ccc(Br)s1
C[C@H]1C[C@H](NC(=O)c2occc2Br)CN1c1ccccc1 Brc1ccoc1[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)[*:1]
C[C@H]1C[C@H](NC(=O)c2occc2Br)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1[*:1])NC(=O)c1occc1Br
O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc2[nH]cnc2c1 c1nc2cc(ccc2[nH]1)[*:1] O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)[*:1]
O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc2[nH]cnc2c1 c1ccc(cc1)[*:1] O=C(NCc1cn(Cc2ccccc2)nc1[*:1])c1ccc2[nH]cnc2c1
O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc2[nH]cnc2c1 c1ccc(cc1)[*:1] O=C(NCc1cn(C[*:1])nc1-c1ccccc1)c1ccc2[nH]cnc2c1
O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc2[nH]cnc2c1 c1ccc(cc1)C[*:1] O=C(NCc1cn(nc1-c1ccccc1)[*:1])c1ccc2[nH]cnc2c1
CCCc1nc(CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)no1 CCCc1nc(C[*:1])no1 O=C([C@H]1CN(c2ccccc2O1)[*:1])N1CCOCC1
CCCc1nc(CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)no1 O=C(N1CCOCC1)[*:1] CCCc1nc(CN2C[C@H](Oc3ccccc32)[*:1])no1
CCCc1nc(CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)no1 CCCc1nc(no1)[*:1] O=C([C@H]1CN(C[*:1])c2ccccc2O1)N1CCOCC1
CCCc1nc(CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)no1 CCC[*:1] O=C([C@H]1CN(Cc2noc(n2)[*:1])c2ccccc2O1)N1CCOCC1
O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCC[C@H]2CCCC[C@@H]21 Fc1cccc(c1)[*:1] O=C(Cn1nnc(n1)[*:1])N1CCC[C@H]2CCCC[C@@H]21
CC(C)c1cccc(S(=O)(=O)/N=C([O-])/C=C/c2ccnc(Cl)c2)c1 CC(C)[*:1] O=S(=O)(/N=C([O-])/C=C/c1ccnc(Cl)c1)c1cccc(c1)[*:1]
CC(C)c1cccc(S(=O)(=O)/N=C([O-])/C=C/c2ccnc(Cl)c2)c1 Clc1cc(ccn1)[*:1] CC(C)c1cccc(c1)S(=O)(=O)/N=C(\[O-])C=C[*:1]
O=C(Nc1cccc2nsnc12)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(Nc1cccc2nsnc12)c1ccc(cc1)O[*:1]
O=C(Nc1cccc2nsnc12)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] O=C(Nc1cccc2nsnc12)c1ccc(cc1)[*:1]
O=C(Nc1cccc2nsnc12)c1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Nc1cccc2nsnc12)c1ccc(cc1)OC[*:1]
Cc1ccc(/C=C/C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)o1 Cc1cccc(c1C)[*:1] Cc1ccc(/C=C/C(=O)N(CC(=O)N[*:1])C[C@@H]2CCCO2)o1
Cc1ccc(/C=C/C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)o1 Cc1ccc(o1)[*:1] Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)C=C[*:1])c1C
Cc1ccc(/C=C/C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)o1 Cc1ccc(C=C[*:1])o1 Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[*:1])c1C
Nc1c(C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1c(cc(cc1[*:1])[N+](=O)[O-])C(=O)Nc1ccccc1Cl
Nc1c(C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1c(cc(cc1[N+](=O)[O-])[*:1])C(=O)Nc1ccccc1Cl
Nc1c(C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] Clc1ccccc1[*:1] Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N[*:1]
CC(=O)NCc1c(-c2ccccc2)nc2n1CCS2 CC(=O)N[*:1] c1ccc(cc1)-c1nc2SCCn2c1C[*:1]
CC(=O)NCc1c(-c2ccccc2)nc2n1CCS2 CC(=O)NC[*:1] c1ccc(cc1)-c1nc2SCCn2c1[*:1]
CC(=O)NCc1c(-c2ccccc2)nc2n1CCS2 c1ccc(cc1)[*:1] CC(=O)NCc1c(nc2SCCn21)[*:1]
CC(=O)c1c[nH]c(C(=O)Nc2ccc(OC(F)F)cc2)c1 FC(F)[*:1] CC(=O)c1c[nH]c(c1)C(=O)Nc1ccc(cc1)O[*:1]
CC(=O)c1c[nH]c(C(=O)Nc2ccc(OC(F)F)cc2)c1 FC(F)O[*:1] CC(=O)c1c[nH]c(c1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1c[nH]c(C(=O)Nc2ccc(OC(F)F)cc2)c1 CC(=O)[*:1] O=C(Nc1ccc(cc1)OC(F)F)c1cc(c[nH]1)[*:1]
Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] Cc1cccc(c1NC(=O)N1CCC[C@@H](C1)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 CC(C)[*:1] Cc1cccc(c1NC(=O)N1CCC[C@H](C1)C(F)(F)F)[*:1]
Cc1cc(C)cc(NC(=O)Cc2nc(C)c(C(=O)NCC(C)C)s2)c1 CC(C)[*:1] Cc1cc(C)cc(c1)NC(=O)Cc1nc(C)c(s1)C(=O)NC[*:1]
Cc1cc(C)cc(NC(=O)Cc2nc(C)c(C(=O)NCC(C)C)s2)c1 Cc1cc(C)cc(c1)[*:1] Cc1nc(CC(=O)N[*:1])sc1C(=O)NCC(C)C
Cc1cc(C)cc(NC(=O)Cc2nc(C)c(C(=O)NCC(C)C)s2)c1 CC(C)C[*:1] Cc1cc(C)cc(c1)NC(=O)Cc1nc(C)c(s1)C(=O)N[*:1]
Cc1cc(C)cc(NC(=O)Cc2nc(C)c(C(=O)NCC(C)C)s2)c1 CC(C)CNC(=O)[*:1] Cc1cc(C)cc(c1)NC(=O)Cc1nc(C)c(s1)[*:1]
Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C1(C(N)=O)CCCCC1 NC(=O)[*:1] Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C1(CCCCC1)[*:1]
COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1N COc1ccccc1[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1ccccc1C(F)(F)F
COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1N FC(F)(F)[*:1] COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[*:1])n1N
Cc1cc(N(C)C)nc(N2CCN(C(=O)c3cccc4ccccc34)CC2)n1 CN(C)[*:1] Cc1cc(nc(n1)N1CCN(CC1)C(=O)c1cccc2ccccc12)[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C)C[C@@H]1[*:1]
CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 CC(C)[*:1] CN1CCN(C(=O)c2ccc(cc2)S(=O)(=O)N[*:1])[C@@H](C1)c1ccccc1
CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 CC(C)NS(=O)(=O)[*:1] CN1CCN(C(=O)c2ccc(cc2)[*:1])[C@@H](C1)c1ccccc1
COc1ccc(-c2nnsc2C(=O)Nc2ccc(Br)cc2F)cc1 Fc1cc(Br)ccc1[*:1] COc1ccc(cc1)-c1nnsc1C(=O)N[*:1]
COc1ccc(-c2nnsc2C(=O)Nc2ccc(Br)cc2F)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cc1F)c1snnc1[*:1]
CCNC(=O)c1c(C)nc(N)nc1COc1cccc(C)c1 Cc1cccc(c1)[*:1] CCNC(=O)c1c(C)nc(N)nc1CO[*:1]
CCNC(=O)c1c(C)nc(N)nc1COc1cccc(C)c1 CCNC(=O)[*:1] Cc1cccc(c1)OCc1nc(N)nc(C)c1[*:1]
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)[*:1]
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] C[C@H](O)[*:1] O=C([O-])[C@H](NS(=O)(=O)c1ccc(F)cc1)[*:1]
C/C=C/C[C@H](Cc1cccc(F)c1)C(=O)[O-] O=C([O-])[*:1] C/C=C/C[C@H](Cc1cccc(F)c1)[*:1]
C/C=C/C[C@H](Cc1cccc(F)c1)C(=O)[O-] C/C=C/C[*:1] O=C([O-])[C@@H](Cc1cccc(F)c1)[*:1]
C/C=C/C[C@H](Cc1cccc(F)c1)C(=O)[O-] CC=C[*:1] O=C([O-])[C@@H](Cc1cccc(F)c1)C[*:1]
Cc1nn(-c2ccc(C(=O)NC3CCN(S(C)(=O)=O)CC3)cc2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] CS(=O)(=O)N1CCC(CC1)NC(=O)c1ccc(cc1)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)C2 c1ccc(cc1)C[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)[C@H](NC(=O)c1cccs1)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)C2 c1csc(c1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)[C@H](Cc1ccccc1)NC(=O)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)C2 c1ccc(cc1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)[C@H](C[*:1])NC(=O)c1cccs1
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)C2 O=C(N[*:1])c1cccs1 CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)[C@H](Cc1ccccc1)[*:1]
COC(=O)[C@H](NC(=O)C[C@@H](C)C(C)C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)C[C@@H](C)C(C)C)[*:1]
COC(=O)[C@H](NC(=O)C[C@@H](C)C(C)C)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)C[C@@H](C)C(C)C)[*:1]
COC(=O)[C@H](NC(=O)C[C@@H](C)C(C)C)c1ccc(C)cc1 CC(C)[C@H](C)C[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(C)cc1
COC(=O)[C@H](NC(=O)C[C@@H](C)C(C)C)c1ccc(C)cc1 CC(C)[C@H](C)[*:1] COC(=O)[C@H](NC(=O)C[*:1])c1ccc(C)cc1
COC(=O)[C@H](NC(=O)C[C@@H](C)C(C)C)c1ccc(C)cc1 CC(C)[*:1] COC(=O)[C@H](NC(=O)C[C@@H](C)[*:1])c1ccc(C)cc1
CCNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccc(CC)cc2)n[nH]1 CCNC(=O)NC(=O)[*:1] CCc1ccc(cc1)-c1n[nH]c(n1)S[C@@H](C)[*:1]
CCNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccc(CC)cc2)n[nH]1 CCc1ccc(cc1)[*:1] CCNC(=O)NC(=O)[C@H](C)Sc1nc(n[nH]1)[*:1]
O=C(CCc1ccc(F)cc1)NCC1CCC1 C1CC(C1)[*:1] O=C(CCc1ccc(F)cc1)NC[*:1]
O=C(CCc1ccc(F)cc1)NCC1CCC1 C1CC(C1)C[*:1] O=C(CCc1ccc(F)cc1)N[*:1]
Cc1nc(-c2ccc(CCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cs1 Cc1nc(cs1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NCCc1ccc(s1)[*:1]
Cc1nc(-c2ccc(CCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cs1 O=[N+]([O-])[*:1] Cc1nc(cs1)-c1ccc(CCNC(=O)c2ccc(C)c(c2)[*:1])s1
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@H](O)C1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)N1CC[C@H]([C@H](O)C1)N1CC[NH+](C)CC1)[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)NCC[NH+]2CCCCC2)c1 CO[C@H](C)[*:1] O=C(NCC[NH+]1CCCCC1)Nc1cccc(c1)NC(=O)[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)NCC[NH+]2CCCCC2)c1 CO[C@H](C)C(=O)N[*:1] O=C(NCC[NH+]1CCCCC1)Nc1cccc(c1)[*:1]
COc1cc(/C=N/Nc2cn[nH]c(=O)n2)ccc1OCc1ccccc1C Cc1ccccc1C[*:1] COc1cc(/C=N/Nc2cn[nH]c(=O)n2)ccc1O[*:1]
COc1cc(/C=N/Nc2cn[nH]c(=O)n2)ccc1OCc1ccccc1C Cc1ccccc1[*:1] COc1cc(/C=N/Nc2cn[nH]c(=O)n2)ccc1OC[*:1]
COc1cc(/C=N/Nc2cn[nH]c(=O)n2)ccc1OCc1ccccc1C Cc1ccccc1CO[*:1] COc1cc(/C=N/Nc2cn[nH]c(=O)n2)ccc1[*:1]
COc1ccc(NC(=O)N(CCCO)[C@H]2CCCc3ccccc32)cc1C COc1ccc(cc1C)[*:1] O=C(N[*:1])N(CCCO)[C@H]1CCCc2ccccc21
COc1ccc(NC(=O)N(CCCO)[C@H]2CCCc3ccccc32)cc1C OCC[*:1] COc1ccc(cc1C)NC(=O)N(C[*:1])[C@H]1CCCc2ccccc21
COc1ccc(NC(=O)N(CCCO)[C@H]2CCCc3ccccc32)cc1C OCCC[*:1] COc1ccc(cc1C)NC(=O)N([C@H]1CCCc2ccccc21)[*:1]
CCCCSCC(=O)Nc1ccc(Cl)cc1C CCC[*:1] Cc1cc(Cl)ccc1NC(=O)CSC[*:1]
CCCCSCC(=O)Nc1ccc(Cl)cc1C CCCC[*:1] Cc1cc(Cl)ccc1NC(=O)CS[*:1]
CCCCSCC(=O)Nc1ccc(Cl)cc1C CCCCS[*:1] Cc1cc(Cl)ccc1NC(=O)C[*:1]
Cc1cc(Cl)ccc1NC(=S)N(Cc1ccccn1)C[C@@H]1CCCO1 Cc1cc(Cl)ccc1[*:1] S=C(N[*:1])N(Cc1ccccn1)C[C@@H]1CCCO1
Cc1cc(Cl)ccc1NC(=S)N(Cc1ccccn1)C[C@@H]1CCCO1 c1ccc(nc1)[*:1] Cc1cc(Cl)ccc1NC(=S)N(C[C@@H]1CCCO1)C[*:1]
Cc1cc(Cl)ccc1NC(=S)N(Cc1ccccn1)C[C@@H]1CCCO1 c1ccc(C[*:1])nc1 Cc1cc(Cl)ccc1NC(=S)N(C[C@@H]1CCCO1)[*:1]
COC[C@H](O)CNc1nc2ccc(N)cc2o1 COC[*:1] Nc1ccc2nc(NC[C@@H](O)[*:1])oc2c1
COC[C@H](O)CNc1nc2ccc(N)cc2o1 COC[C@H](O)[*:1] Nc1ccc2nc(NC[*:1])oc2c1
COc1ccccc1COC1CCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 COc1ccccc1[*:1] O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)OC[*:1]
COc1ccccc1COC1CCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 COc1ccccc1C[*:1] O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)O[*:1]
COc1ccccc1COC1CCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1COC1CCN(CC1)C(=O)N[C@H]1C[C@H]1[*:1]
CCCCCOc1cncc(C[NH2+]C)n1 CCC[*:1] C[NH2+]Cc1cncc(n1)OCC[*:1]
CCCCCOc1cncc(C[NH2+]C)n1 CCCC[*:1] C[NH2+]Cc1cncc(n1)OC[*:1]
CCCCCOc1cncc(C[NH2+]C)n1 CCCCC[*:1] C[NH2+]Cc1cncc(n1)O[*:1]
CCc1ncc(CN(C)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)s1 CCc1ncc(s1)[*:1] CN(C[*:1])C(=O)Nc1ccccc1N1CC[NH+](C)CC1
CCc1ncc(CN(C)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)s1 CCc1ncc(C[*:1])s1 CN(C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[*:1]
CCS(=O)(=O)CCN(C)Cc1c[nH]nc1C CCS(=O)(=O)[*:1] Cc1n[nH]cc1CN(C)CC[*:1]
CSc1nc(C)c(CCC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c(C)n1 O=C1CCCN1[*:1] CSc1nc(C)c(CCC(=O)Nc2cc(ccc2Cl)[*:1])c(C)n1
Cc1ccc2c(NC(=O)c3cc(-c4ccccc4Cl)no3)n[nH]c2n1 Clc1ccccc1[*:1] Cc1ccc2c(n[nH]c2n1)NC(=O)c1cc(no1)[*:1]
COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C)s2)ccc1C Cc1ccc(s1)[*:1] COC(=O)c1cc(ccc1C)S(=O)(=O)N(C)C[*:1]
COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C)s2)ccc1C Cc1ccc(C[*:1])s1 COC(=O)c1cc(ccc1C)S(=O)(=O)N(C)[*:1]
COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C)s2)ccc1C COC(=O)[*:1] Cc1ccc(CN(C)S(=O)(=O)c2ccc(C)c(c2)[*:1])s1
CCc1nnc(NC(=O)NC[C@@H](C)C(=O)OC)s1 COC(=O)[*:1] CCc1nnc(NC(=O)NC[C@@H](C)[*:1])s1
CCc1nnc(NC(=O)NC[C@@H](C)C(=O)OC)s1 COC(=O)[C@H](C)[*:1] CCc1nnc(NC(=O)NC[*:1])s1
C=CCCCOc1ncc(Br)cn1 C=CC[*:1] Brc1cnc(nc1)OCC[*:1]
C=CCCCOc1ncc(Br)cn1 C=CCC[*:1] Brc1cnc(nc1)OC[*:1]
CCCSc1ccccc1C(=O)NC(C)(C)C CC(C)(C)[*:1] CCCSc1ccccc1C(=O)N[*:1]
CCCSc1ccccc1C(=O)NC(C)(C)C CCCS[*:1] CC(C)(C)NC(=O)c1ccccc1[*:1]
CCCSc1ccccc1C(=O)NC(C)(C)C CCC[*:1] CC(C)(C)NC(=O)c1ccccc1S[*:1]
O[C@H](C[NH2+]Cc1ccc(F)cc1)C1CCOCC1 C1CC(CCO1)[*:1] O[C@H](C[NH2+]Cc1ccc(F)cc1)[*:1]
COCCN(C)C(=O)NCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COCCN(C)C(=O)NCc1ccc(cc1)[*:1]
COCCN(C)C(=O)NCc1ccc(C(F)(F)F)cc1 COC[*:1] CN(C[*:1])C(=O)NCc1ccc(cc1)C(F)(F)F
COCCN(C)C(=O)NCc1ccc(C(F)(F)F)cc1 COCC[*:1] CN(C(=O)NCc1ccc(cc1)C(F)(F)F)[*:1]
O=C1Cc2cc(C(F)(F)F)ccc2N1 FC(F)(F)[*:1] O=C1Cc2cc(ccc2N1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)c2cc3n(n2)CCN(Cc2ccccc2F)C3=O)C1 Fc1ccccc1[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)c1cc2C(=O)N(CCn2n1)C[*:1]
NC(=O)[C@H]1CCCN(C(=O)c2cc3n(n2)CCN(Cc2ccccc2F)C3=O)C1 NC(=O)[*:1] O=C(c1cc2C(=O)N(CCn2n1)Cc1ccccc1F)N1CCC[C@@H](C1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)c2cc3n(n2)CCN(Cc2ccccc2F)C3=O)C1 Fc1ccccc1C[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)c1cc2C(=O)N(CCn2n1)[*:1]
COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCC(C(N)=O)CC1 NC(=O)[*:1] COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCC(CC1)[*:1]
COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCC(C(N)=O)CC1 NC(=O)C1CCN(CC1)[*:1] COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1[*:1]
COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCC(C(N)=O)CC1 COc1ccc(C)cc1[*:1] NC(=O)C1CCN(CC1)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[*:1]
Cn1c(SC[C@H](O)COCc2ccccc2Cl)nc2sccc2c1=O Clc1ccccc1C[*:1] Cn1c(nc2sccc2c1=O)SC[C@H](O)CO[*:1]
Cn1c(SC[C@H](O)COCc2ccccc2Cl)nc2sccc2c1=O Clc1ccccc1[*:1] Cn1c(nc2sccc2c1=O)SC[C@H](O)COC[*:1]
Cc1nc([C@@H]2CCCN(C(=O)CC[C@H]3CCCCO3)C2)no1 C1CC[C@H](C[*:1])OC1 Cc1nc(no1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1nc([C@@H]2CCCN(C(=O)CC[C@H]3CCCCO3)C2)no1 C1CC[C@@H](OC1)[*:1] Cc1nc(no1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
Cc1nc([C@@H]2CCCN(C(=O)CC[C@H]3CCCCO3)C2)no1 Cc1nc(no1)[*:1] O=C(CC[C@H]1CCCCO1)N1CCC[C@H](C1)[*:1]
COCc1cc(NC(=O)N2CCc3ccccc3[C@H]2CO)ncn1 COC[*:1] O=C(Nc1cc(ncn1)[*:1])N1CCc2ccccc2[C@H]1CO
COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)cc(Cl)c1OS(C)(=O)=O Fc1ccccc1[*:1] COc1cc(/C=C2/N=C(OC2=O)[*:1])cc(Cl)c1OS(C)(=O)=O
COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)cc(Cl)c1OS(C)(=O)=O CS(=O)(=O)O[*:1] COc1cc(/C=C2/N=C(OC2=O)c2ccccc2F)cc(Cl)c1[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)NC[C@@H]2CCO[C@@H]2C(C)(C)C)o1 CC(C)(C)[*:1] Cc1ccc(o1)[C@@H]1CSCCN1C(=O)NC[C@@H]1CCO[C@H]1[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)NC[C@@H]2CCO[C@@H]2C(C)(C)C)o1 Cc1ccc(o1)[*:1] CC(C)(C)[C@H]1OCC[C@H]1CNC(=O)N1CCSC[C@H]1[*:1]
COc1cccc(N2CCN(C(=O)Nc3ccc(SC)cc3)CC2)c1 CSc1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)N[*:1]
COc1cccc(N2CCN(C(=O)Nc3ccc(SC)cc3)CC2)c1 COc1cccc(c1)[*:1] CSc1ccc(cc1)NC(=O)N1CCN(CC1)[*:1]
CCOC[C@H]1CCN(C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 O=C1CCCN1C[*:1] CCOC[C@H]1CCN(C1)C(=O)NCc1ccc(cc1)[*:1]
CCOC[C@H]1CCN(C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 O=C1CCCN1[*:1] CCOC[C@H]1CCN(C1)C(=O)NCc1ccc(cc1)C[*:1]
CCOC[C@H]1CCN(C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 CCOC[*:1] O=C1CCCN1Cc1ccc(cc1)CNC(=O)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1 CCO[*:1] O=C1CCCN1Cc1ccc(cc1)CNC(=O)N1CC[C@@H](C1)C[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)[C@H](N)c1ccccc1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)[C@H](N)c1ccccc1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)[C@H](N)c1ccccc1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)[C@H](N)c1ccccc1
C[C@H](Cc1cccs1)N(C)C(=O)[C@H](N)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cc1cccs1)N(C)C(=O)[C@H](N)[*:1]
C[C@H](SCC(=O)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1)c1ccccc1F Fc1ccc(cc1)[*:1] C[C@H](SCC(=O)N([C@@H]1C=CS(=O)(=O)C1)[*:1])c1ccccc1F
C[C@H](SCC(=O)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1)c1ccccc1F C[C@H](c1ccccc1F)[*:1] O=C(CS[*:1])N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1
C[C@H](SCC(=O)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1)c1ccccc1F Fc1ccccc1[*:1] C[C@H](SCC(=O)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1)[*:1]
O=C(CSCC(=O)Nc1ccncc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSCC(=O)N[*:1])Nc1ccncc1
O=C(CSCC(=O)Nc1ccncc1)Nc1ccccc1 c1cc(ccn1)[*:1] O=C(CSCC(=O)N[*:1])Nc1ccccc1
OCC[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)C1CC1 OCC[*:1] Clc1cccc2c1OCC[C@@H]2[NH2+][C@H](C1CC1)[*:1]
OCC[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)C1CC1 C1CC1[*:1] OCC[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)[*:1]
CCOc1cc(NC(=O)c2cccnc2Cl)ccc1OC Clc1ncccc1[*:1] CCOc1cc(ccc1OC)NC(=O)[*:1]
CCOc1cc(NC(=O)c2cccnc2Cl)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])NC(=O)c1cccnc1Cl
O=C(c1cnccn1)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 c1ccc(cc1)[*:1] O=C(c1cnccn1)N1CCc2onc(c2C1)C(c1ccccc1)[*:1]
O=C(c1cnccn1)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 c1cnc(cn1)[*:1] O=C(N1CCc2onc(c2C1)C(c1ccccc1)c1ccccc1)[*:1]
CCOc1[n-]c([O-])c(C#N)c1C(=O)c1ccccc1 CCO[*:1] N#Cc1c([O-])[n-]c(c1C(=O)c1ccccc1)[*:1]
CCOc1[n-]c([O-])c(C#N)c1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CCOc1[n-]c([O-])c(C#N)c1C(=O)[*:1]
O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1cccc1-c1nc(no1)-c1ccc(F)c(Br)c1)N[*:1]
O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)Nc1ccccc1F Fc1ccc(cc1Br)[*:1] O=C(Cn1cccc1-c1nc(no1)[*:1])Nc1ccccc1F
Cc1ccccc1-c1nnn(C[C@H](O)COc2ccc(C#N)cc2)n1 N#Cc1ccc(cc1)[*:1] Cc1ccccc1-c1nnn(C[C@H](O)CO[*:1])n1
Cc1ccccc1-c1nnn(C[C@H](O)COc2ccc(C#N)cc2)n1 Cc1ccccc1[*:1] N#Cc1ccc(cc1)OC[C@@H](O)Cn1nnc(n1)[*:1]
CCCC[C@H](CC)[C@@H]([NH3+])C(C)C CCCC[*:1] CC[C@H]([C@@H]([NH3+])C(C)C)[*:1]
CCCC[C@H](CC)[C@@H]([NH3+])C(C)C CC(C)[*:1] CCCC[C@H](CC)[C@@H]([NH3+])[*:1]
CCCC[C@H](CC)[C@@H]([NH3+])C(C)C CCC[*:1] CC[C@@H](C[*:1])[C@@H]([NH3+])C(C)C
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnnn1[*:1]
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(O)cc1 CC[C@@H](C)[*:1] C[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)Nc1ccccc1[*:1]
C#CCOC[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 C#CC[*:1] O=C(Cn1ccc2ccccc21)N1CCC[C@H](CO[*:1])C1
C#CCOC[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 C#CCO[*:1] O=C(Cn1ccc2ccccc21)N1CCC[C@@H](C1)C[*:1]
C#CCOC[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 C#CCOC[*:1] O=C(Cn1ccc2ccccc21)N1CCC[C@@H](C1)[*:1]
Cc1ccncc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 c1coc(c1)[*:1] Cc1ccncc1NC(=O)c1cc(nc2ccccc12)[*:1]
Cc1ccncc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 Cc1ccncc1[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccco1
CCC[C@@H](CS)CSc1n[nH]c(=O)n1C1CC1 CCC[*:1] O=c1[nH]nc(SC[C@H](CS)[*:1])n1C1CC1
CCC[C@@H](CS)CSc1n[nH]c(=O)n1C1CC1 C1CC1[*:1] CCC[C@@H](CS)CSc1n[nH]c(=O)n1[*:1]
CCn1nccc1CNC(=O)c1nn2cccnc2c1Cl CCn1nccc1[*:1] O=C(NC[*:1])c1nn2cccnc2c1Cl
CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cnn(C)c1C Clc1cccnc1[*:1] CC[C@](C)(CO[*:1])[NH2+]Cc1cnn(C)c1C
CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cnn(C)c1C Cc1c(cnn1C)[*:1] CC[C@](C)(COc1ncccc1Cl)[NH2+]C[*:1]
Cc1cc(NC(=O)[C@@]2(C)Oc3ccc(Cl)cc3NC2=O)no1 Cc1cc(no1)[*:1] C[C@@]1(Oc2ccc(Cl)cc2NC1=O)C(=O)N[*:1]
O=S(=O)(NC[C@](O)(c1ccco1)C1CC1)c1cccc(C(F)(F)F)c1 c1coc(c1)[*:1] O=S(=O)(NC[C@](O)(C1CC1)[*:1])c1cccc(c1)C(F)(F)F
O=S(=O)(NC[C@](O)(c1ccco1)C1CC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)(NC[C@](O)(c1ccco1)C1CC1)c1cccc(c1)[*:1]
O=S(=O)(NC[C@](O)(c1ccco1)C1CC1)c1cccc(C(F)(F)F)c1 C1CC1[*:1] O=S(=O)(NC[C@](O)(c1ccco1)[*:1])c1cccc(c1)C(F)(F)F
CCC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1nccs1 c1csc(n1)[*:1] CCC[C@@H]1C[NH2+][C@@H](CN1C[*:1])C(C)(C)C
CCC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1nccs1 CC(C)(C)[*:1] CCC[C@@H]1C[NH2+][C@H](CN1Cc1nccs1)[*:1]
CCC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1nccs1 c1csc(C[*:1])n1 CCC[C@@H]1C[NH2+][C@@H](CN1[*:1])C(C)(C)C
CCC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1nccs1 CCC[*:1] CC(C)(C)[C@@H]1CN(Cc2nccs2)[C@@H](C[NH2+]1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)Cn2ccccc2=O)CC1 CC(C)[*:1] CN(C(=O)C1CCN(CC1)C(=O)Cn1ccccc1=O)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)Cn2ccccc2=O)CC1 CC(C)N(C)C(=O)[*:1] O=C(Cn1ccccc1=O)N1CCC(CC1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)Cn2ccccc2=O)CC1 O=c1ccccn1[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)C[*:1]
COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nc(C)nc2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nc(C)nc2c1cnn2[*:1]
Cc1ccsc1C(=O)NNC(=O)NC[C@@]1(C)CCCc2ccccc21 Cc1ccsc1[*:1] C[C@@]1(CCCc2ccccc21)CNC(=O)NNC(=O)[*:1]
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(C(=O)CCc1ccccc1)CC2 O=C(NCc1ccsc1)[*:1] COc1cc(=O)n2CCN(CCc2c1[*:1])C(=O)CCc1ccccc1
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(C(=O)CCc1ccccc1)CC2 c1ccc(cc1)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)NCc1ccsc1)C(=O)CC[*:1]
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(C(=O)CCc1ccccc1)CC2 c1cc(cs1)C[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N[*:1])C(=O)CCc1ccccc1
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(C(=O)CCc1ccccc1)CC2 c1ccc(cc1)C[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)NCc1ccsc1)C(=O)C[*:1]
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(C(=O)CCc1ccccc1)CC2 c1cc(cs1)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)NC[*:1])C(=O)CCc1ccccc1
COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(C(=O)CCc1ccccc1)CC2 c1ccc(cc1)CC[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)NCc1ccsc1)C(=O)[*:1]
CNC(=O)c1cccc(OC(=O)c2cccc3cc[nH]c23)c1 CNC(=O)[*:1] O=C(Oc1cccc(c1)[*:1])c1cccc2cc[nH]c12
Cc1ccccc1COC1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 Cc1ccccc1C[*:1] O=C(c1cnc2ccccn2c1=O)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 Cc1ccccc1[*:1] O=C(c1cnc2ccccn2c1=O)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 Cc1ccccc1CO[*:1] O=C(c1cnc2ccccn2c1=O)N1CCC(CC1)[*:1]
CCC1(CNC(=O)[C@H]2CSCN2C(=O)C2CCC2)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])[C@H]1CSCN1C(=O)C1CCC1
CCC1(CNC(=O)[C@H]2CSCN2C(=O)C2CCC2)CCC1 CCC1(CCC1)C[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)C1CCC1
CCC1(CNC(=O)[C@H]2CSCN2C(=O)C2CCC2)CCC1 C1CC(C1)[*:1] CCC1(CCC1)CNC(=O)[C@H]1CSCN1C(=O)[*:1]
CS(=O)(=O)c1ccc2nnn(OCc3ccc(Br)cc3)c2c1 Brc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc2nnn(OC[*:1])c2c1
CS(=O)(=O)c1ccc2nnn(OCc3ccc(Br)cc3)c2c1 CS(=O)(=O)[*:1] Brc1ccc(cc1)COn1nnc2ccc(cc21)[*:1]
Cc1noc(C)c1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 c1csc(c1)[*:1] Cc1noc(C)c1CC(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
Cc1noc(C)c1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 Cc1noc(C)c1[*:1] O=C(C[*:1])NC[C@@H](c1cccs1)[NH+]1CCCC1
COc1cc2c(cc1CN1CCO[C@@H](c3ccc(F)cc3)C1)OCCCO2 Fc1ccc(cc1)[*:1] COc1cc2OCCCOc2cc1CN1CCO[C@@H](C1)[*:1]
Cc1ccc([C@@H](C)NC(=O)CN2CSCC2=O)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)CN1CSCC1=O)[*:1]
Cc1ccc([C@@H](C)NC(=O)CN2CSCC2=O)o1 O=C1CSCN1[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)C[*:1]
COC(=O)C1=C[C@@H](S(=O)(=O)[N-]c2cc(C)cc(C)c2)C=N1 COC(=O)[*:1] Cc1cc(C)cc(c1)[N-]S(=O)(=O)[C@H]1C=NC(=C1)[*:1]
O=C(c1ccco1)N(CC1CC[NH2+]CC1)C1CC1 c1coc(c1)[*:1] O=C(N(CC1CC[NH2+]CC1)C1CC1)[*:1]
O=C(c1ccco1)N(CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] O=C(c1ccco1)N(CC1CC[NH2+]CC1)[*:1]
Cc1ccsc1[C@@H](O)CNC(=O)NCc1cccc2ccccc12 Cc1ccsc1[*:1] O=C(NCc1cccc2ccccc12)NC[C@H](O)[*:1]
COC(C)(C)C[C@@H](C)Nc1nnc(C)s1 COC(C)(C)[*:1] Cc1nnc(N[C@H](C)C[*:1])s1
COc1ccc2c(c1)N(CC(=O)Nc1ccccc1OC)C[C@@H](C)O2 COc1ccccc1[*:1] COc1ccc2O[C@H](C)CN(CC(=O)N[*:1])c2c1
Cc1ccnc(N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)n1 Cc1ccnc(n1)[*:1] O=C(NCc1ccc2OCOc2c1)C1CCN(CC1)[*:1]
CCCCn1nc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc2c1=O CCC[*:1] O=C(c1ccc2OCCOc2c1)C1CCN(CC1)C(=O)c1nn(C[*:1])c(=O)c2ccccc12
CCCCn1nc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc2c1=O CCCC[*:1] O=C(c1ccc2OCCOc2c1)C1CCN(CC1)C(=O)c1nn(c(=O)c2ccccc12)[*:1]
CCCCn1nc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc2c1=O c1cc2OCCOc2cc1[*:1] CCCCn1nc(C(=O)N2CCC(CC2)C(=O)[*:1])c2ccccc2c1=O
Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccc2ccccc2c1 O=C([O-])[*:1] Cc1ccc(cc1NC(=O)Cc1ccc2ccccc2c1)[*:1]
CS(=O)(=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1 C1CN(CCO1)[*:1] CS(=O)(=O)N1CCN(CC1)Cc1cc2nc(Cl)nc(c2s1)[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1 c1ccc(cc1)CC[*:1] COc1ccc(cc1)Cn1c2nc3ccccc3nc2c2c(=O)n(cnc21)[*:1]
COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)Cn1c2nc3ccccc3nc2c2c(=O)n(cnc21)C[*:1]
COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1 COc1ccc(cc1)[*:1] O=c1c2c3nc4ccccc4nc3n(C[*:1])c2ncn1CCc1ccccc1
COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)Cn1c2nc3ccccc3nc2c2c(=O)n(cnc21)CC[*:1]
COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1 COc1ccc(cc1)C[*:1] O=c1c2c3nc4ccccc4nc3n(c2ncn1CCc1ccccc1)[*:1]
CCc1ccc(OCC(=O)N/N=C/c2ccc(Br)s2)cc1 Brc1ccc(s1)[*:1] CCc1ccc(cc1)OCC(=O)NN=C[*:1]
CC[C@@H](C#N)OC(=O)c1cnc(-c2ccccc2)nc1 c1ccc(cc1)[*:1] CC[C@@H](C#N)OC(=O)c1cnc(nc1)[*:1]
CCCc1ccc(C(C)(C)CCO)cc1 OCC[*:1] CCCc1ccc(cc1)C(C)(C)[*:1]
CCCc1ccc(C(C)(C)CCO)cc1 CCC[*:1] CC(C)(CCO)c1ccc(cc1)[*:1]
CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1(C)C CC(C)=C[*:1] CC1(C)[C@H](C(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2F)[C@H]1[*:1]
CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1(C)C Fc1ccccc1[*:1] CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(CC2)S(=O)(=O)[*:1])C1(C)C
Cc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C CS(=O)(=O)N[*:1] Cc1ccccc1[C@@H]1CC(=NN1C(=O)C(C)C)c1ccccc1[*:1]
Cc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H]1CC(=NN1C(=O)[*:1])c1ccccc1NS(C)(=O)=O
Cc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C Cc1ccccc1[*:1] CC(C)C(=O)N1N=C(C[C@H]1[*:1])c1ccccc1NS(C)(=O)=O
O=C1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)CCN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1CCN(CCN1C[*:1])C(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2
O=C1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)CCN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C([C@@H]1C[C@H]2C=C[C@@H]1C2)N1CCC(=O)N(CC1)[*:1]
C[C@@H](CO[C@H]1CCOC1)NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 C1C[C@@H](CO1)[*:1] C[C@@H](CO[*:1])NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
C[C@@H](CO[C@H]1CCOC1)NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 C1C[C@@H](CO1)OC[*:1] C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
C[C@@H](CO[C@H]1CCOC1)NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 C1C[C@@H](CO1)O[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
CCN1CC[NH+](C[C@@H](C)CNC(=O)NC2(c3noc(C)n3)CCCC2)CC1 Cc1nc(no1)[*:1] CCN1CC[NH+](CC1)C[C@@H](C)CNC(=O)NC1(CCCC1)[*:1]
CN(C)c1cc(CNC(=O)c2cc(C3CC3)nc3c2c([O-])nn3C)cc[nH+]1 C1CC1[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)c1cc(nc2c1c([O-])nn2C)[*:1]
CN(C)c1cc(CNC(=O)c2cc(C3CC3)nc3c2c([O-])nn3C)cc[nH+]1 CN(C)[*:1] Cn1nc([O-])c2c(cc(nc21)C1CC1)C(=O)NCc1cc[nH+]c(c1)[*:1]
COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)c3ccccc3C(=O)N2C)cc1OC c1ncn(n1)[*:1] COc1ccc(cc1OC)[C@H]1[C@H](C(=O)Nc2ccc(cc2)C[*:1])c2ccccc2C(=O)N1C
COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)c3ccccc3C(=O)N2C)cc1OC c1ncn(C[*:1])n1 COc1ccc(cc1OC)[C@H]1[C@H](C(=O)Nc2ccc(cc2)[*:1])c2ccccc2C(=O)N1C
COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)c3ccccc3C(=O)N2C)cc1OC c1ncn(Cc2ccc(cc2)[*:1])n1 COc1ccc(cc1OC)[C@H]1[C@H](C(=O)N[*:1])c2ccccc2C(=O)N1C
COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)c3ccccc3C(=O)N2C)cc1OC COc1ccc(cc1OC)[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(cc2)Cn2cncn2)[C@@H]1[*:1]
CC/C=N/NS(=O)(=O)c1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CC/C=N/NS(=O)(=O)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1Br)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccccc1Br)[*:1]
Cc1nc(C)c(C(=O)NCCCOc2ccc(Cl)cc2C)o1 Cc1nc(C)c(o1)[*:1] Cc1cc(Cl)ccc1OCCCNC(=O)[*:1]
Cc1cccc(C(=O)N2CC(OCCCOc3ccccc3)C2)c1 c1ccc(cc1)OC[*:1] Cc1cccc(c1)C(=O)N1CC(C1)OCC[*:1]
Cc1cccc(C(=O)N2CC(OCCCOc3ccccc3)C2)c1 Cc1cccc(c1)[*:1] O=C(N1CC(C1)OCCCOc1ccccc1)[*:1]
Cc1cccc(C(=O)N2CC(OCCCOc3ccccc3)C2)c1 c1ccc(cc1)O[*:1] Cc1cccc(c1)C(=O)N1CC(C1)OCCC[*:1]
Cc1cccc(C(=O)N2CC(OCCCOc3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CC(C1)OCCCO[*:1]
CCOc1cc(Nc2ccc(C#N)cn2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])Nc1ccc(C#N)cn1
CNS(=O)(=O)c1ccc(Oc2csc(C(=O)[O-])c2)cc1 CNS(=O)(=O)[*:1] O=C([O-])c1cc(cs1)Oc1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc(Oc2csc(C(=O)[O-])c2)cc1 O=C([O-])[*:1] CNS(=O)(=O)c1ccc(cc1)Oc1csc(c1)[*:1]
CC(=O)c1cc(Br)cc(C(F)(F)F)c1 CC(=O)[*:1] FC(F)(F)c1cc(Br)cc(c1)[*:1]
CC(=O)c1cc(Br)cc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(=O)c1cc(Br)cc(c1)[*:1]
Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2cccnc2)cc([N+](=O)[O-])c1F C[C@@H](c1cccnc1)[*:1] Cc1cc(cc(c1F)[N+](=O)[O-])S(=O)(=O)N(C)[*:1]
Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2cccnc2)cc([N+](=O)[O-])c1F c1cncc(c1)[*:1] Cc1cc(cc(c1F)[N+](=O)[O-])S(=O)(=O)N(C)[C@@H](C)[*:1]
Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2cccnc2)cc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] Cc1cc(cc(c1F)[*:1])S(=O)(=O)N(C)[C@@H](C)c1cccnc1
CN(Cc1cc(Cl)c2c(c1)OCCO2)Cc1ncnn1C Cn1ncnc1[*:1] CN(Cc1cc(Cl)c2OCCOc2c1)C[*:1]
CN(Cc1cc(Cl)c2c(c1)OCCO2)Cc1ncnn1C Cn1ncnc1C[*:1] CN(Cc1cc(Cl)c2OCCOc2c1)[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)Cc1ccc(C)s1 Cc1ccc(C[*:1])s1 CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)[*:1]
CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)Cc1ccc(C)s1 Cc1ccc(s1)[*:1] CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)C[*:1]
Cc1nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)n[nH]1 Cc1nc(C[*:1])n[nH]1 CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)C[*:1]
Cc1nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)n[nH]1 Cc1nc(CC[*:1])n[nH]1 CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
Cc1nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)n[nH]1 Cc1nc(n[nH]1)[*:1] CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)CC[*:1]
O=C(COc1ccccc1)NNC(=O)COc1ccc(Br)cc1 c1ccc(cc1)O[*:1] O=C(COc1ccc(Br)cc1)NNC(=O)C[*:1]
O=C(COc1ccccc1)NNC(=O)COc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(COc1ccccc1)NNC(=O)CO[*:1]
O=C(COc1ccccc1)NNC(=O)COc1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1)NNC(=O)CO[*:1]
O=C(N/N=C/C(Br)=C/c1ccccc1)[C@H]1C=C(c2ccc(Cl)cc2Cl)N=N1 Clc1ccc(c(Cl)c1)[*:1] O=C(N/N=C/C(Br)=C/c1ccccc1)[C@H]1C=C(N=N1)[*:1]
O=C(N/N=C/C(Br)=C/c1ccccc1)[C@H]1C=C(c2ccc(Cl)cc2Cl)N=N1 Br/C(=C\c1ccccc1)[*:1] O=C(NN=C[*:1])[C@H]1C=C(N=N1)c1ccc(Cl)cc1Cl
O=C(N/N=C/C(Br)=C/c1ccccc1)[C@H]1C=C(c2ccc(Cl)cc2Cl)N=N1 c1ccc(cc1)[*:1] O=C(N/N=C/C(/Br)=C[*:1])[C@H]1C=C(N=N1)c1ccc(Cl)cc1Cl
CC1CCN(c2c3c(c(C#N)c4nc5ccccc5n24)CCC3)CC1 CC1CCN(CC1)[*:1] N#Cc1c2CCCc2c(n2c1nc1ccccc12)[*:1]
O=C(NCc1ccnc(OC2CCCC2)c1)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(NCc1ccnc(c1)OC1CCCC1)N[*:1]
O=C(NCc1ccnc(OC2CCCC2)c1)Nc1ccc(F)cc1F C1CCC(C1)O[*:1] O=C(NCc1ccnc(c1)[*:1])Nc1ccc(F)cc1F
O=C(NCc1ccnc(OC2CCCC2)c1)Nc1ccc(F)cc1F C1CCC(C1)[*:1] O=C(NCc1ccnc(c1)O[*:1])Nc1ccc(F)cc1F
CCOc1cccc(CC(=O)NCc2cn(C)nc2CC)c1 CCO[*:1] CCc1nn(C)cc1CNC(=O)Cc1cccc(c1)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 Cc1noc(C)c1C[*:1] O=C(c1ccc(cc1)O[*:1])N1CCC[C@H]2CCCC[C@@H]21
Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 Cc1noc(C)c1[*:1] O=C(c1ccc(cc1)OC[*:1])N1CCC[C@H]2CCCC[C@@H]21
Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 Cc1noc(C)c1CO[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H]2CCCC[C@@H]21
CC(C)[C@H](C)NC(=O)CS(=O)(=O)Cc1cccc(C(N)=O)c1 CC(C)[*:1] C[C@H](NC(=O)CS(=O)(=O)Cc1cccc(c1)C(N)=O)[*:1]
CC(C)[C@H](C)NC(=O)CS(=O)(=O)Cc1cccc(C(N)=O)c1 NC(=O)[*:1] CC(C)[C@H](C)NC(=O)CS(=O)(=O)Cc1cccc(c1)[*:1]
CC(C)[C@H](C)NC(=O)CS(=O)(=O)Cc1cccc(C(N)=O)c1 CC(C)[C@H](C)[*:1] NC(=O)c1cccc(c1)CS(=O)(=O)CC(=O)N[*:1]
CC[C@H](C)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] CC[C@H](C)C(=O)N[C@H](C)c1ccc(cc1)OC[*:1]
CC[C@H](C)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 CC[C@H](C)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)OCc1cccnc1
CC[C@H](C)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 CC[C@H](C)C(=O)N[*:1] C[C@H](c1ccc(cc1)OCc1cccnc1)[*:1]
CC[C@H](C)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] CC[C@H](C)C(=O)N[C@H](C)c1ccc(cc1)O[*:1]
Cc1ccc(CN(C)C(=O)NCC2(c3ccc(F)cc3F)CC2)s1 Cc1ccc(C[*:1])s1 CN(C(=O)NCC1(CC1)c1ccc(F)cc1F)[*:1]
Cc1ccc(CN(C)C(=O)NCC2(c3ccc(F)cc3F)CC2)s1 Cc1ccc(s1)[*:1] CN(C[*:1])C(=O)NCC1(CC1)c1ccc(F)cc1F
Cc1ccc(CN(C)C(=O)NCC2(c3ccc(F)cc3F)CC2)s1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(CN(C)C(=O)NCC2(CC2)[*:1])s1
O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cn(nn1)-c1cccc(Cl)c1)N1CCC(CC1)C[*:1]
O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCC(Cc2ccccc2)CC1 Clc1cccc(c1)[*:1] O=C(c1cn(nn1)[*:1])N1CCC(CC1)Cc1ccccc1
O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cn(nn1)-c1cccc(Cl)c1)N1CCC(CC1)[*:1]
CCOCCC(=O)Nc1cc(OC)ccc1Cl CCOCC[*:1] COc1ccc(Cl)c(c1)NC(=O)[*:1]
CCOCCC(=O)Nc1cc(OC)ccc1Cl CCO[*:1] COc1ccc(Cl)c(c1)NC(=O)CC[*:1]
CCOCCC(=O)Nc1cc(OC)ccc1Cl CCOC[*:1] COc1ccc(Cl)c(c1)NC(=O)C[*:1]
CCn1cnnc1CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C CCn1cnnc1C[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[*:1]
CCn1cnnc1CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C CCn1cnnc1[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[*:1]
C=CCn1nc(C)c(CCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1C C=CC[*:1] Cc1nn(c(C)c1CCC(=O)N1C[C@@H](C)C[C@@H](C)C1)[*:1]
CC1(CNC(=O)CS(=O)(=O)C(C)(C)C)Cc2ccccc2C1 CC(C)(C)[*:1] CC1(CNC(=O)CS(=O)(=O)[*:1])Cc2ccccc2C1
CC1(CNC(=O)CS(=O)(=O)C(C)(C)C)Cc2ccccc2C1 CC(C)(C)S(=O)(=O)[*:1] CC1(CNC(=O)C[*:1])Cc2ccccc2C1
CCN(C(=O)c1cc(C#N)cs1)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)c1cc(C#N)cs1)[*:1]
O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(c1)[*:1]
O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=C(NC1CC1)[*:1] O=[N+]([O-])c1cc(ccc1Cl)S(=O)(=O)Nc1ccccc1[*:1]
O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 C1CC1[*:1] O=C(N[*:1])c1ccccc1NS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-]
CN1C(=O)C[C@@H](COC(=O)C2CCC2)[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN1C(=O)C[C@@H](COC(=O)C2CCC2)[C@@H]1[*:1]
CN1C(=O)C[C@@H](COC(=O)C2CCC2)[C@H]1c1cccc(Cl)c1 C1CC(C1)[*:1] CN1C(=O)C[C@@H](COC(=O)[*:1])[C@H]1c1cccc(Cl)c1
CN1C(=O)C[C@@H](COC(=O)C2CCC2)[C@H]1c1cccc(Cl)c1 O=C(O[*:1])C1CCC1 CN1C(=O)C[C@@H](C[*:1])[C@H]1c1cccc(Cl)c1
NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)COC(=O)CNC(=O)c1ccc(cc1)[*:1]
NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 NC(=O)[*:1] O=C(CNC(=O)c1ccc(cc1)-c1ccccc1)OC[*:1]
NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 NC(=O)C[*:1] O=C(CNC(=O)c1ccc(cc1)-c1ccccc1)O[*:1]
NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 NC(=O)COC(=O)[*:1] O=C(NC[*:1])c1ccc(cc1)-c1ccccc1
COc1cc(OC)cc([C@H](NC(=O)Cc2ccccc2C)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cc(cc(c1)[C@H](NC(=O)Cc1ccccc1C)[*:1])OC
COc1cc(OC)cc([C@H](NC(=O)Cc2ccccc2C)c2nccn2C)c1 Cc1ccccc1C[*:1] COc1cc(cc(c1)[C@H](NC(=O)[*:1])c1nccn1C)OC
COc1cc(OC)cc([C@H](NC(=O)Cc2ccccc2C)c2nccn2C)c1 Cc1ccccc1[*:1] COc1cc(cc(c1)[C@H](NC(=O)C[*:1])c1nccn1C)OC
CCc1ccsc1CNC(=O)C1(c2ccccc2F)CC1 CCc1ccsc1[*:1] O=C(NC[*:1])C1(CC1)c1ccccc1F
CCc1ccsc1CNC(=O)C1(c2ccccc2F)CC1 Fc1ccccc1[*:1] CCc1ccsc1CNC(=O)C1(CC1)[*:1]
O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N2CCOC[C@H]12 O=[N+]([O-])[*:1] O=C1N[C@H](c2cc(ccc2OC(F)F)[*:1])N2CCOC[C@H]12
O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N2CCOC[C@H]12 FC(F)O[*:1] O=C1N[C@H](c2cc(ccc2[*:1])[N+](=O)[O-])N2CCOC[C@H]12
O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N2CCOC[C@H]12 FC(F)[*:1] O=C1N[C@H](c2cc(ccc2O[*:1])[N+](=O)[O-])N2CCOC[C@H]12
O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCC3)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3CCCCc3sc21)N[*:1]
O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCC3)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] O=c1c2c3CCCCc3sc2n(C[*:1])c(=O)n1Cc1ccco1
O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCC3)Nc1ccccc1F c1coc(c1)[*:1] O=C(Cn1c(=O)n(C[*:1])c(=O)c2c3CCCCc3sc21)Nc1ccccc1F
O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCC3)Nc1ccccc1F c1coc(c1)C[*:1] O=C(Cn1c(=O)n(c(=O)c2c3CCCCc3sc21)[*:1])Nc1ccccc1F
Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)n1 Cc1cc(C)n(n1)[*:1] C[C@H](NC(=O)[C@H](C)[*:1])C(C)(C)C[NH+](C)C
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(N)c(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN(C)C(=O)c1ccc(N)c(c1)[N+](=O)[O-])[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N(C)[C@H](C)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)N(C)[C@H](C)c1ccc(F)cc1)[*:1]
CN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 NC(=O)CO[*:1] CN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(cc1)[*:1]
CN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 NC(=O)[*:1] CN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(cc1)OC[*:1]
CN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 NC(=O)C[*:1] CN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(cc1)O[*:1]
CN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 N#Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)/C=C/c1ccc(cc1)OCC(N)=O
C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1ccccc1)[*:1]
C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1ccc(CNC(=O)N(C)C[C@H]2CCCO2)c(OC(C)(C)C)c1 C1CO[C@H](C1)[*:1] Cc1ccc(CNC(=O)N(C)C[*:1])c(c1)OC(C)(C)C
Cc1ccc(CNC(=O)N(C)C[C@H]2CCCO2)c(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(CNC(=O)N(C)C[C@H]2CCCO2)c(c1)O[*:1]
Cc1ccc(CNC(=O)N(C)C[C@H]2CCCO2)c(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1ccc(CNC(=O)N(C)C[C@H]2CCCO2)c(c1)[*:1]
Cc1ccc(CNC(=O)N(C)C[C@H]2CCCO2)c(OC(C)(C)C)c1 C1CO[C@H](C1)C[*:1] Cc1ccc(CNC(=O)N(C)[*:1])c(c1)OC(C)(C)C
C[C@@H](CNC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1)C[NH+]1CCCC1 c1cnn(c1)[*:1] C[C@@H](CNC(=O)N[C@H](C)c1ccc(cc1)[*:1])C[NH+]1CCCC1
C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@H](C(N)=O)C1 NC(=O)[*:1] C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccn2ncc(C(=O)NCc3ccccc3-c3ccccc3)c2c1 c1ccc(cc1)[*:1] Cc1ccn2ncc(C(=O)NCc3ccccc3[*:1])c2c1
CCOCCn1/c(=N/C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)sc2ccccc21 CCOCC[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)/N=c1\sc2ccccc2n1[*:1]
CCOCCn1/c(=N/C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)sc2ccccc21 CCO[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)/N=c1\sc2ccccc2n1CC[*:1]
CCOCCn1/c(=N/C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)sc2ccccc21 CCOC[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)/N=c1\sc2ccccc2n1C[*:1]
CC(C)[C@@H](C)NC(=O)Nc1ccccc1OCC1CC1 C1CC1CO[*:1] CC(C)[C@@H](C)NC(=O)Nc1ccccc1[*:1]
CC(C)[C@@H](C)NC(=O)Nc1ccccc1OCC1CC1 C1CC1C[*:1] CC(C)[C@@H](C)NC(=O)Nc1ccccc1O[*:1]
CC(C)[C@@H](C)NC(=O)Nc1ccccc1OCC1CC1 C1CC1[*:1] CC(C)[C@@H](C)NC(=O)Nc1ccccc1OC[*:1]
CC(C)[C@@H](C)NC(=O)Nc1ccccc1OCC1CC1 CC(C)[*:1] C[C@@H](NC(=O)Nc1ccccc1OCC1CC1)[*:1]
CC(C)[C@@H](C)NC(=O)Nc1ccccc1OCC1CC1 CC(C)[C@@H](C)[*:1] O=C(Nc1ccccc1OCC1CC1)N[*:1]
CCOc1ccc(N/C(=N/S(C)(=O)=O)NC2CC2)cc1 CCO[*:1] CS(=O)(=O)/N=C(/Nc1ccc(cc1)[*:1])NC1CC1
CCOc1ccc(N/C(=N/S(C)(=O)=O)NC2CC2)cc1 C1CC1[*:1] CCOc1ccc(cc1)N/C(=N/S(C)(=O)=O)N[*:1]
CCCCOc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)cc1 CCCCO[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1CCCN(C1)c1ncnc2[nH]cnc12
CCCCOc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)OC[*:1])[C@@H]1CCCN(C1)c1ncnc2[nH]cnc12
CCCCOc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)cc1 CCCC[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@@H]1CCCN(C1)c1ncnc2[nH]cnc12
Cc1nc(CSCCC(=O)NC23CC4CC(CC(C4)C2)C3)cs1 Cc1nc(cs1)C[*:1] O=C(CCS[*:1])NC12CC3CC(CC(C3)C1)C2
Cc1nc(CSCCC(=O)NC23CC4CC(CC(C4)C2)C3)cs1 Cc1nc(cs1)[*:1] O=C(CCSC[*:1])NC12CC3CC(CC(C3)C1)C2
Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@@H](C)C[C@@H](C)O)c2)oc1C C[C@@H](O)[*:1] Cc1nc(oc1C)-c1cccc(c1)NC(=O)C(=O)NC[C@@H](C)C[*:1]
Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@@H](C)C[C@@H](C)O)c2)oc1C Cc1nc(oc1C)[*:1] C[C@H](CNC(=O)C(=O)Nc1cccc(c1)[*:1])C[C@@H](C)O
Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@@H](C)C[C@@H](C)O)c2)oc1C C[C@@H](O)C[*:1] Cc1nc(oc1C)-c1cccc(c1)NC(=O)C(=O)NC[C@@H](C)[*:1]
C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1cccnc1 FC(F)(F)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1cccnc1
C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1cccnc1 c1cncc(c1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)C(F)(F)F)[*:1]
CN(CN1CCCCC1=O)[C@@H]1CCN(c2ccccc2)C1=O O=C1CCCCN1[*:1] CN(C[*:1])[C@@H]1CCN(C1=O)c1ccccc1
CN(CN1CCCCC1=O)[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(CN1CCCCC1=O)[C@@H]1CCN(C1=O)[*:1]
Clc1ccc(CCNCc2ncc(-c3ccc[nH]3)s2)c(Cl)c1 c1c[nH]c(c1)[*:1] Clc1ccc(CCNCc2ncc(s2)[*:1])c(Cl)c1
O=C(NCc1ccc(F)cc1)NC[C@H](O)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@H](O)c1ccc(Cl)cc1)NC[*:1]
O=C(NCc1ccc(F)cc1)NC[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)NC[C@H](O)[*:1]
N#Cc1cccc(SCc2nc(-c3cccs3)n[nH]2)c1 c1csc(c1)[*:1] N#Cc1cccc(c1)SCc1nc(n[nH]1)[*:1]
COc1ccc([C@@H](CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c2c[nH]c3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@@H](c1c[nH]c2ccccc12)[*:1]
COc1ccc([C@@H](CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)CN1C(=O)NC2(CCCCC2)C1=O)[*:1]
O=C(CCOc1ccc([N+](=O)[O-])cc1)Oc1ccc2nccnc2c1 O=[N+]([O-])[*:1] O=C(CCOc1ccc(cc1)[*:1])Oc1ccc2nccnc2c1
Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccco4)CC3)o2)c1 Cc1cccc(c1)[*:1] N#Cc1nc(oc1N1CCN(CC1)C(=O)c1ccco1)[*:1]
Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccco4)CC3)o2)c1 c1coc(c1)[*:1] Cc1cccc(c1)-c1nc(C#N)c(o1)N1CCN(CC1)C(=O)[*:1]
O=C(N[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2)c1ccncc1Cl O=C([O-])[*:1] O=C(N[C@H]1[C@@H]([C@H]2CC[C@@H]1C2)[*:1])c1ccncc1Cl
CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 CC[S@@](=O)[*:1] C[C@H]([NH2+][C@H]1CCC[C@H](C1)[*:1])c1nc2CCCCc2s1
CCCOc1ccc(C(=O)OC)c(F)c1 CCC[*:1] COC(=O)c1ccc(cc1F)O[*:1]
CCCOc1ccc(C(=O)OC)c(F)c1 CCCO[*:1] COC(=O)c1ccc(cc1F)[*:1]
CCCOc1ccc(C(=O)OC)c(F)c1 COC(=O)[*:1] CCCOc1ccc(c(F)c1)[*:1]
COc1ccc(CCN2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 O=C([O-])[*:1] COc1ccc(cc1)CCN1/C(=N/C(=O)CC[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
COc1ccc(CCN2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 COc1ccc(cc1)C[*:1] O=C([O-])CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1C[*:1]
COc1ccc(CCN2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 COc1ccc(cc1)[*:1] O=C([O-])CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1CC[*:1]
COc1ccc(CCN2/C(=N/C(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 O=C([O-])C[*:1] COc1ccc(cc1)CCN1/C(=N/C(=O)C[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
CNC(=O)CCCn1cc(C(=O)[O-])cc1Br CNC(=O)C[*:1] O=C([O-])c1cc(Br)n(c1)CC[*:1]
CNC(=O)CCCn1cc(C(=O)[O-])cc1Br CNC(=O)[*:1] O=C([O-])c1cc(Br)n(c1)CCC[*:1]
CNC(=O)CCCn1cc(C(=O)[O-])cc1Br O=C([O-])[*:1] CNC(=O)CCCn1cc(cc1Br)[*:1]
CCN(CCOC)C(=O)c1cnc(-c2ccccn2)nc1[O-] c1ccc(nc1)[*:1] CCN(CCOC)C(=O)c1cnc(nc1[O-])[*:1]
CCN(CCOC)C(=O)c1cnc(-c2ccccn2)nc1[O-] COC[*:1] CCN(C[*:1])C(=O)c1cnc(nc1[O-])-c1ccccn1
CCN(CCOC)C(=O)c1cnc(-c2ccccn2)nc1[O-] COCC[*:1] CCN(C(=O)c1cnc(nc1[O-])-c1ccccn1)[*:1]
COc1cccc(/C=N/NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 Brc1ccc(cc1)[*:1] COc1cccc(/C=N/NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)[*:1])c1
COc1cccc(/C=N/NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 COc1cccc(c1)[*:1] O=C(C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1)NN=C[*:1]
COc1cccc(C(=O)N2CCCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)c1 COc1cccc(c1)[*:1] O=C(N1CCCN(CC1)c1nc2cc(Cl)ccc2n2cccc12)[*:1]
O=C(/N=c1\[nH]c2ccccc2n1CC[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(/N=c1\[nH]c2ccccc2n1CC[NH+]1CCCCC1)[C@@H]1C[C@H]1[*:1]
O=C(/N=c1\[nH]c2ccccc2n1CC[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[C@H]1C[C@H]1[*:1] O=C(/N=c1\[nH]c2ccccc2n1CC[NH+]1CCCCC1)[*:1]
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC(=O)Nc2ccccc21 C1CN(CCO1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)N1CC(=O)Nc2ccccc21)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)N(c2ccccc2)C(C)C)cc1 CC(C)=CC(=O)NC[*:1] CC(C)N(C(=O)c1ccc(cc1)[*:1])c1ccccc1
CC(C)=CC(=O)NCc1ccc(C(=O)N(c2ccccc2)C(C)C)cc1 CC(C)[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)N(c1ccccc1)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)N(c2ccccc2)C(C)C)cc1 CC(C)=CC(=O)N[*:1] CC(C)N(C(=O)c1ccc(cc1)C[*:1])c1ccccc1
CC(C)=CC(=O)NCc1ccc(C(=O)N(c2ccccc2)C(C)C)cc1 c1ccc(cc1)[*:1] CC(C)=CC(=O)NCc1ccc(cc1)C(=O)N(C(C)C)[*:1]
CC(C)=CC(=O)NCc1ccc(C(=O)N(c2ccccc2)C(C)C)cc1 CC(C)=C[*:1] CC(C)N(C(=O)c1ccc(cc1)CNC(=O)[*:1])c1ccccc1
COc1cc([N+](=O)[O-])ccc1OCc1ccc(OC)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cc(ccc1OCc1ccc(OC)c(c1)[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1OCc1ccc(OC)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cc(ccc1OCc1ccc(OC)c(c1)[N+](=O)[O-])[*:1]
COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)NC1CCCCC1 c1cncc(c1)[*:1] COc1ccc(cc1C(=O)NC1CCCCC1)S(=O)(=O)NC[*:1]
COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] COc1ccc(cc1C(=O)N[*:1])S(=O)(=O)NCc1cccnc1
COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)NCc1cccnc1
COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)NC1CCCCC1 c1cncc(c1)C[*:1] COc1ccc(cc1C(=O)NC1CCCCC1)S(=O)(=O)N[*:1]
CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ncc(-c2ccccc2)s1 CC[C@@H](C)[*:1] C[C@@](O)(C[NH2+]Cc1ncc(s1)-c1ccccc1)[*:1]
CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ncc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ncc(s1)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CC[NH+](C)C CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N(C)CC[NH+](C)C
CCOC[C@@H](C)Nc1nc2ccc(OC)cc2s1 CCOC[*:1] COc1ccc2nc(N[C@H](C)[*:1])sc2c1
CCOC[C@@H](C)Nc1nc2ccc(OC)cc2s1 CCO[*:1] COc1ccc2nc(N[C@H](C)C[*:1])sc2c1
CCOC[C@@H](C)Nc1nc2ccc(OC)cc2s1 CCOC[C@@H](C)[*:1] COc1ccc2nc(N[*:1])sc2c1
CC(C)/[NH+]=C/c1nc(-c2ccccc2)[nH]c1Cl CC(C)[*:1] Clc1[nH]c(nc1C=[NH+][*:1])-c1ccccc1
Cc1nnc(N2CCC[C@H](C(=O)NCCC[NH+]3CCCCCC3)C2)c2nn(-c3ccccc3)c(C)c12 c1ccc(cc1)[*:1] Cc1nnc(c2nn(c(C)c12)[*:1])N1CCC[C@@H](C1)C(=O)NCCC[NH+]1CCCCCC1
CC(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1C[*:1]
CC(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(=O)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H]1[*:1]
C[C@@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@@H](O)[C@@H]1CCC[C@H](C1)[*:1]
C[C@@H](O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 C[C@@H](O)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[*:1]
CCc1cc(C#N)c(NC(=O)c2cnn(CC(C)C)c2C(F)F)s1 FC(F)[*:1] CCc1cc(C#N)c(NC(=O)c2cnn(CC(C)C)c2[*:1])s1
CCc1cc(C#N)c(NC(=O)c2cnn(CC(C)C)c2C(F)F)s1 CC(C)C[*:1] CCc1cc(C#N)c(NC(=O)c2cnn(c2C(F)F)[*:1])s1
CCc1cc(C#N)c(NC(=O)c2cnn(CC(C)C)c2C(F)F)s1 CC(C)[*:1] CCc1cc(C#N)c(NC(=O)c2cnn(C[*:1])c2C(F)F)s1
Cc1c([C@@H](C)NC(=O)c2csc3c2CCCC3)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC(=O)c1csc2CCCCc12
CCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1OCC CCO[*:1] CCOc1cc(/C=C/C(=O)Nc2cc(C)cc(C)c2)ccc1[*:1]
CCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1OCC Cc1cc(C)cc(c1)[*:1] CCOc1ccc(/C=C/C(=O)N[*:1])cc1OCC
CCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1OCC CCO[*:1] CCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)/C=C/c2ccc(C)c(Cl)c2)nn1 Cc1ccc(cc1Cl)[*:1] Cc1ccc(nn1)-n1nc(C)cc1NC(=O)C=C[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)/C=C/c2ccc(C)c(Cl)c2)nn1 Cc1ccc(nn1)[*:1] Cc1cc(NC(=O)/C=C/c2ccc(C)c(Cl)c2)n(n1)[*:1]
CC(=O)c1cccc(S(=O)(=O)N(C)C[C@H]2COc3ccccc3O2)c1 CC(=O)[*:1] CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cccc(c1)[*:1]
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(F)n1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](CC(F)(F)F)[*:1])c1cccc(F)n1
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(F)n1 Fc1cccc(n1)[*:1] O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(F)n1 FC(F)(F)[*:1] O=C(N[C@@H](C[*:1])c1ccc(F)cc1)c1cccc(F)n1
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(F)n1 FC(F)(F)C[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])c1cccc(F)n1
O=C(Cc1ccccc1NC(=O)c1nccc2nc[n-]c12)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cc1ccccc1NC(=O)c1nccc2nc[n-]c12)N[*:1]
Cc1nsc(N(C)C(=O)c2ccc(F)cc2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(c1[*:1])N(C)C(=O)c1ccc(F)cc1
Cc1ccc2cccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c2n1 O=[N+]([O-])[*:1] Cc1ccc2cccc(C(=O)N3CCc4ccc(cc4C3)[*:1])c2n1
Cc1cc(C(=O)Nc2cccc(OCC(F)F)n2)n(C)n1 FC(F)C[*:1] Cc1cc(C(=O)Nc2cccc(n2)O[*:1])n(C)n1
Cc1cc(C(=O)Nc2cccc(OCC(F)F)n2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(Nc1cccc(n1)OCC(F)F)[*:1]
Cc1cc(C(=O)Nc2cccc(OCC(F)F)n2)n(C)n1 FC(F)CO[*:1] Cc1cc(C(=O)Nc2cccc(n2)[*:1])n(C)n1
Cc1cc(C(=O)Nc2cccc(OCC(F)F)n2)n(C)n1 FC(F)[*:1] Cc1cc(C(=O)Nc2cccc(n2)OC[*:1])n(C)n1
Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)no1 Cc1cc(no1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(cc1)OC(F)F
Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)no1 FC(F)[*:1] Cc1cc(no1)NC(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)O[*:1]
Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)no1 Cc1cc(no1)NC(=O)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(cc1)OC(F)F
Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)no1 FC(F)O[*:1] Cc1cc(no1)NC(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(cc1)[*:1]
COc1cccc(CNC(=O)N(C)CCc2ccccn2)c1OC c1ccc(CC[*:1])nc1 COc1cccc(CNC(=O)N(C)[*:1])c1OC
COc1cccc(CNC(=O)N(C)CCc2ccccn2)c1OC c1ccc(nc1)[*:1] COc1cccc(CNC(=O)N(C)CC[*:1])c1OC
COc1cccc(CNC(=O)N(C)CCc2ccccn2)c1OC c1ccc(C[*:1])nc1 COc1cccc(CNC(=O)N(C)C[*:1])c1OC
N#CCN(CC#N)c1ncnc(N2CCOCC2)c1N N#CC[*:1] N#CCN(c1ncnc(c1N)N1CCOCC1)[*:1]
N#CCN(CC#N)c1ncnc(N2CCOCC2)c1N C1CN(CCO1)[*:1] N#CCN(CC#N)c1ncnc(c1N)[*:1]
Cc1cc(NC(=O)C[NH+]2CCN(C(=O)c3ccccc3F)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 Fc1ccccc1[*:1] Cc1cc(NC(=O)C[NH+]2CCN(CC2)C(=O)[*:1])n(n1)[C@@H]1CCS(=O)(=O)C1
[NH3+]CCO[C@H]1CCOC2(CCOCC2)C1 [NH3+]CC[*:1] C1CC2(CCO1)C[C@H](CCO2)O[*:1]
[NH3+]CCO[C@H]1CCOC2(CCOCC2)C1 [NH3+]CCO[*:1] C1CC2(CCO1)C[C@H](CCO2)[*:1]
O=C(NCc1cccnc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 c1ccc(cc1)C[*:1] O=C(NCc1cccnc1)c1ccc2OCC(=O)N(c2c1)[*:1]
O=C(NCc1cccnc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 c1cncc(c1)[*:1] O=C(NC[*:1])c1ccc2OCC(=O)N(Cc3ccccc3)c2c1
O=C(NCc1cccnc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 c1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1ccc2OCC(=O)N(C[*:1])c2c1
O=C(NCc1cccnc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 c1cncc(c1)C[*:1] O=C(N[*:1])c1ccc2OCC(=O)N(Cc3ccccc3)c2c1
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 c1ccc(cc1)C[*:1] COC(=O)[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)N1CCCC1)[*:1]
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 COC(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])[C@@H]1CCCN(C1)C(=O)N1CCCC1
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 c1ccc(cc1)[*:1] COC(=O)[C@H](C[*:1])NC(=O)[C@@H]1CCCN(C1)C(=O)N1CCCC1
O=C(NCc1ccco1)c1ccc2ncc3c(O)n(-c4ccc(Cl)cc4)nc3c2c1 c1coc(c1)[*:1] O=C(NC[*:1])c1ccc2ncc3c(O)n(nc3c2c1)-c1ccc(Cl)cc1
O=C(NCc1ccco1)c1ccc2ncc3c(O)n(-c4ccc(Cl)cc4)nc3c2c1 Clc1ccc(cc1)[*:1] O=C(NCc1ccco1)c1ccc2ncc3c(O)n(nc3c2c1)[*:1]
O=C(NCc1ccco1)c1ccc2ncc3c(O)n(-c4ccc(Cl)cc4)nc3c2c1 c1coc(c1)C[*:1] O=C(N[*:1])c1ccc2ncc3c(O)n(nc3c2c1)-c1ccc(Cl)cc1
O=C(NCc1ccco1)c1ccc2ncc3c(O)n(-c4ccc(Cl)cc4)nc3c2c1 O=C(NCc1ccco1)[*:1] Oc1c2cnc3ccc(cc3c2nn1-c1ccc(Cl)cc1)[*:1]
CC(C)CS(=O)(=O)NCC1(O)CCCC1 CC(C)C[*:1] O=S(=O)(NCC1(O)CCCC1)[*:1]
CC(C)CS(=O)(=O)NCC1(O)CCCC1 CC(C)[*:1] O=S(=O)(C[*:1])NCC1(O)CCCC1
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 c1ccc(cc1)[*:1] CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1nnc(s1)C(C)(C)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 CCC[*:1] CC(C)(c1ccccc1)c1nnc(NC(=O)C(=O)N[C@@H]2C[C@H]2[*:1])s1
O=S(=O)(c1ccccc1Cl)N1CCC(O)(c2cccnc2)CC1 Clc1ccccc1[*:1] O=S(=O)(N1CCC(O)(CC1)c1cccnc1)[*:1]
O=S(=O)(c1ccccc1Cl)N1CCC(O)(c2cccnc2)CC1 c1cncc(c1)[*:1] O=S(=O)(c1ccccc1Cl)N1CCC(O)(CC1)[*:1]
CCN(Cc1ccccc1C)C(=O)c1cc(C)c2c(=O)[nH]c([O-])nc2n1 Cc1ccccc1[*:1] CCN(C[*:1])C(=O)c1cc(C)c2c(=O)[nH]c([O-])nc2n1
CCN(Cc1ccccc1C)C(=O)c1cc(C)c2c(=O)[nH]c([O-])nc2n1 Cc1ccccc1C[*:1] CCN(C(=O)c1cc(C)c2c(=O)[nH]c([O-])nc2n1)[*:1]
O=C(CCN1CCCC1=O)NCC[C@@H](O)c1ccccc1 O=C1CCCN1[*:1] O=C(CC[*:1])NCC[C@@H](O)c1ccccc1
O=C(CCN1CCCC1=O)NCC[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCN1CCCC1=O)NCC[C@@H](O)[*:1]
O=C(CCN1CCCC1=O)NCC[C@@H](O)c1ccccc1 O=C1CCCN1C[*:1] O=C(C[*:1])NCC[C@@H](O)c1ccccc1
CN(CC(=O)N1CCC[C@@H](N2CCNC2=O)C1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CC(=O)N1CCC[C@H](C1)N1CCNC1=O)c1ccccc1[*:1]
CN(CC(=O)N1CCC[C@@H](N2CCNC2=O)C1)c1ccccc1[N+](=O)[O-] O=C1NCCN1[*:1] CN(CC(=O)N1CCC[C@@H](C1)[*:1])c1ccccc1[N+](=O)[O-]
CC(C)CCOc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 CC(C)[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)c1ccc(cc1)OCC[*:1]
CC(C)CCOc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 CC(C)CC[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)c1ccc(cc1)O[*:1]
CC(C)CCOc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 CC(C)C[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)c1ccc(cc1)OC[*:1]
CC(C)CCOc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 CC(C)CCO[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
CC(C)CCOc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 O=C([O-])[*:1] CC(C)CCOc1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](N2CCn3c(nnc3-c3ccccc3)C2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@H](C1)N1CCn2c(C1)nnc2-c1ccccc1
CC(C)(C)OC(=O)N1CC[C@H](N2CCn3c(nnc3-c3ccccc3)C2)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)N1CCn2c(C1)nnc2[*:1]
COC[C@@H](NC(=O)/C=C(/C)C(C)(C)C)c1ccc(F)c(F)c1 CC(=C[*:1])C(C)(C)C COC[C@@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)/C=C(/C)C(C)(C)C)c1ccc(F)c(F)c1 CC(C)(C)[*:1] COC[C@@H](NC(=O)C=C(C)[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)/C=C(/C)C(C)(C)C)c1ccc(F)c(F)c1 COC[*:1] C/C(=C/C(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1])C(C)(C)C
Cc1cc2oc(C(=O)Nc3cc(-c4ccc(F)cc4)no3)cc(=O)c2cc1C Fc1ccc(cc1)[*:1] Cc1cc2oc(cc(=O)c2cc1C)C(=O)Nc1cc(no1)[*:1]
C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@@H](Sc1nc(n[nH]1)-c1cccnc1)C(=O)NC[*:1]
C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)NCC(F)(F)F c1cncc(c1)[*:1] C[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)NCC(F)(F)F
C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@@H](Sc1nc(n[nH]1)-c1cccnc1)C(=O)N[*:1]
Cc1ccccc1[C@H]1CN(C(=O)CCOC2CCOCC2)[C@@H](C)CO1 C1CC(CCO1)[*:1] Cc1ccccc1[C@H]1CN(C(=O)CCO[*:1])[C@@H](C)CO1
Cc1ccccc1[C@H]1CN(C(=O)CCOC2CCOCC2)[C@@H](C)CO1 Cc1ccccc1[*:1] C[C@H]1CO[C@H](CN1C(=O)CCOC1CCOCC1)[*:1]
Cc1ccccc1[C@H]1CN(C(=O)CCOC2CCOCC2)[C@@H](C)CO1 C1CC(CCO1)O[*:1] Cc1ccccc1[C@H]1CN(C(=O)CC[*:1])[C@@H](C)CO1
Cc1ccccc1[C@H]1CN(C(=O)CCOC2CCOCC2)[C@@H](C)CO1 C1CC(CCO1)OC[*:1] Cc1ccccc1[C@H]1CN(C(=O)C[*:1])[C@@H](C)CO1
CCN(c1cc(C)c(N)c[nH+]1)C1CCCC1 C1CCC(C1)[*:1] CCN(c1cc(C)c(N)c[nH+]1)[*:1]
O=C(Cn1nnc(-c2cccs2)n1)Nc1cccc(Cl)c1Cl c1csc(c1)[*:1] O=C(Cn1nnc(n1)[*:1])Nc1cccc(Cl)c1Cl
C[C@@H](Oc1cccc(C=O)c1)C(=O)Nc1ccc(OC(F)F)c2ncccc12 O=Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(OC(F)F)c2ncccc12
C[C@@H](Oc1cccc(C=O)c1)C(=O)Nc1ccc(OC(F)F)c2ncccc12 FC(F)[*:1] C[C@@H](Oc1cccc(C=O)c1)C(=O)Nc1ccc(O[*:1])c2ncccc12
C[C@@H](Oc1cccc(C=O)c1)C(=O)Nc1ccc(OC(F)F)c2ncccc12 O=Cc1cccc(c1)O[*:1] C[C@@H](C(=O)Nc1ccc(OC(F)F)c2ncccc12)[*:1]
C[C@@H](Oc1cccc(C=O)c1)C(=O)Nc1ccc(OC(F)F)c2ncccc12 FC(F)O[*:1] C[C@@H](Oc1cccc(C=O)c1)C(=O)Nc1ccc(c2ncccc12)[*:1]
CCCc1nnc2sc(NC(=O)COc3ccccc3)nn12 CCC[*:1] O=C(COc1ccccc1)Nc1nn2c(nnc2s1)[*:1]
CCCc1nnc2sc(NC(=O)COc3ccccc3)nn12 c1ccc(cc1)O[*:1] CCCc1nnc2sc(nn12)NC(=O)C[*:1]
CCCc1nnc2sc(NC(=O)COc3ccccc3)nn12 c1ccc(cc1)[*:1] CCCc1nnc2sc(nn12)NC(=O)CO[*:1]
C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc2ccccc2[nH]1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)OC[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)OC[C@@H]1CCCO1)[*:1]
C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc2ccccc2[nH]1 C1CO[C@@H](C1)CO[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc2ccccc2[nH]1 C1CO[C@@H](C1)C[*:1] C[C@@H](NC(=O)c1ccc(cc1)O[*:1])c1nc2ccccc2[nH]1
COc1cccc(C[C@H](C)NC(=O)c2cc(C)ccc2NC(=O)N(C)C)c1 CN(C)C(=O)N[*:1] COc1cccc(c1)C[C@H](C)NC(=O)c1cc(C)ccc1[*:1]
COc1cccc(C[C@H](C)NC(=O)c2cc(C)ccc2NC(=O)N(C)C)c1 COc1cccc(c1)C[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N[C@@H](C)[*:1]
COc1cccc(C[C@H](C)NC(=O)c2cc(C)ccc2NC(=O)N(C)C)c1 COc1cccc(c1)[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N[C@@H](C)C[*:1]
CC(C)c1cc(NC(=O)C(=O)N2CCc3c(F)ccc(F)c3C2)no1 CC(C)[*:1] O=C(Nc1cc(on1)[*:1])C(=O)N1CCc2c(F)ccc(F)c2C1
CC(C)c1cc(NC(=O)C(=O)N2CCc3c(F)ccc(F)c3C2)no1 CC(C)c1cc(no1)[*:1] O=C(N[*:1])C(=O)N1CCc2c(F)ccc(F)c2C1
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)[N-]c1ccccc1C=N[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)([N-]c1ccccc1/C=N/c1ccc(F)cc1)[*:1]
CCc1nnc(CN2CCO[C@@H](CNc3cccn[nH+]3)C2)o1 CCc1nnc(o1)[*:1] c1cn[nH+]c(c1)NC[C@H]1CN(CCO1)C[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c(N(C)C)n1 CN(C)[*:1] Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C2)[NH+](C)C)c(n1)[*:1]
CC(=O)c1ccc(NC(=O)C(=O)NCCc2csc3ccccc23)cc1 CC(=O)[*:1] O=C(NCCc1csc2ccccc12)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)N2CSC[C@H]2C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)NC(=O)N1CSC[C@@H]1[*:1]
CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccccc3I)c2n1 Ic1ccccc1[*:1] CSc1nc(NC(C)C)c2cnn(CCNC(=O)[*:1])c2n1
CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccccc3I)c2n1 CC(C)[*:1] CSc1nc(N[*:1])c2cnn(CCNC(=O)c3ccccc3I)c2n1
CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccccc3I)c2n1 CC(C)N[*:1] CSc1nc(c2cnn(CCNC(=O)c3ccccc3I)c2n1)[*:1]
CCOc1cc(C=O)ccc1OC[C@@H]1C[C@H]2CC[C@@H]1C2 CCO[*:1] O=Cc1ccc(OC[C@@H]2C[C@H]3CC[C@@H]2C3)c(c1)[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)NCCCn1cc(C)cn1 Cc1cnn(c1)[*:1] CCC[C@H]1[C@@H](C)CCCN1C(=O)NCCC[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)NCCCn1cc(C)cn1 CCC[*:1] Cc1cnn(c1)CCCNC(=O)N1CCC[C@H](C)[C@@H]1[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)NCCCn1cc(C)cn1 Cc1cnn(c1)C[*:1] CCC[C@H]1[C@@H](C)CCCN1C(=O)NCC[*:1]
C[C@@H](NC(=O)CCCCO)c1ccc2c(c1)OCO2 OCC[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc2OCOc2c1
C[C@@H](NC(=O)CCCCO)c1ccc2c(c1)OCO2 OCCCC[*:1] C[C@@H](NC(=O)[*:1])c1ccc2OCOc2c1
C[C@@H](NC(=O)CCCCO)c1ccc2c(c1)OCO2 OCCC[*:1] C[C@@H](NC(=O)C[*:1])c1ccc2OCOc2c1
O=C(NCCN1CCOCC1)c1cccc(I)c1 C1CN(CCO1)[*:1] O=C(NCC[*:1])c1cccc(I)c1
CC(C)(C)c1ccc(-n2nc(C(N)=O)c([O-])cc2=O)cc1 CC(C)(C)[*:1] NC(=O)c1nn(-c2ccc(cc2)[*:1])c(=O)cc1[O-]
CC(C)(C)c1ccc(-n2nc(C(N)=O)c([O-])cc2=O)cc1 NC(=O)[*:1] CC(C)(C)c1ccc(cc1)-n1nc(c([O-])cc1=O)[*:1]
CCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(C)ccc1C CCNC(=O)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1Cc2ccccc2C[C@H]1[*:1]
CCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)[*:1]
Cc1ccc(C)c(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(C)c(c1)NC(=O)c1n[nH]c(C)c1[*:1]
CCC[C@@H](C)n1c(N)nc2cccnc21 CCC[*:1] C[C@@H](n1c(N)nc2cccnc21)[*:1]
CCC[C@@H](C)n1c(N)nc2cccnc21 CCC[C@@H](C)[*:1] Nc1nc2cccnc2n1[*:1]
Cn1cccc1C(=O)/C(C#N)=C/c1ccc(C#N)cc1 Cn1cccc1[*:1] N#C/C(=C\c1ccc(C#N)cc1)C(=O)[*:1]
N#Cc1ccsc1NC(=O)C[NH+]1CCOc2ccccc2C1 N#Cc1ccsc1[*:1] O=C(C[NH+]1CCOc2ccccc2C1)N[*:1]
CCC[NH2+][C@]1(c2nc(CC)c(C)s2)CCCS[C@@H]1C CCC[*:1] CCc1nc(sc1C)[C@]1(CCCS[C@@H]1C)[NH2+][*:1]
O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1ccc([O-])nn1 c1csc(c1)[*:1] O=C(Nc1ccc2CCN(Cc2c1)C(=O)[*:1])c1ccc([O-])nn1
COCc1ccc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 COC[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1cccc(F)c1)C[C@H]1CCCO1
COCc1ccc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 Fc1cccc(c1)C[*:1] COCc1ccc(cc1)C(=O)N(C[C@H]1CCCO1)[*:1]
COCc1ccc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 Fc1cccc(c1)[*:1] COCc1ccc(cc1)C(=O)N(C[C@H]1CCCO1)C[*:1]
COc1ccccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccccc1OC(=O)COc1ccc(cc1)[*:1]
COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccc(C)s2)nn1 c1ccc(cc1)C[*:1] COc1ccc(nn1)C(=O)N(Cc1ccc(C)s1)C[*:1]
COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccc(C)s2)nn1 COc1ccc(nn1)[*:1] Cc1ccc(CN(CCc2ccccc2)C(=O)[*:1])s1
COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccc(C)s2)nn1 Cc1ccc(C[*:1])s1 COc1ccc(nn1)C(=O)N(CCc1ccccc1)[*:1]
COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccc(C)s2)nn1 c1ccc(cc1)[*:1] COc1ccc(nn1)C(=O)N(CC[*:1])Cc1ccc(C)s1
COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccc(C)s2)nn1 Cc1ccc(s1)[*:1] COc1ccc(nn1)C(=O)N(CCc1ccccc1)C[*:1]
COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccc(C)s2)nn1 c1ccc(cc1)CC[*:1] COc1ccc(nn1)C(=O)N(Cc1ccc(C)s1)[*:1]
Cc1ccc([C@H](C)NCCc2nncn2C2CC2)cc1F C1CC1[*:1] Cc1ccc(cc1F)[C@H](C)NCCc1nncn1[*:1]
Cc1nn(C)c(Cl)c1CSCC(=O)N[C@@H](C)C(C)C CC(C)[*:1] Cc1nn(C)c(Cl)c1CSCC(=O)N[C@@H](C)[*:1]
Cc1nn(C)c(Cl)c1CSCC(=O)N[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] Cc1nn(C)c(Cl)c1CSCC(=O)N[*:1]
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)C(C)(C)C)CC3)no1 CC(C)(C)[*:1] Cc1cc(no1)[N-]S(=O)(=O)c1ccc2CCN(Cc2c1)C(=O)[*:1]
CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)o1 CNC(=O)[*:1] Cc1cc(ccc1F)S(=O)(=O)N(C)Cc1ccc(o1)[*:1]
O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccc(F)cc1 c1cncc(c1)[*:1] O=C(NC[*:1])c1ccccc1C(=O)c1ccc(F)cc1
O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccc(F)cc1 c1cncc(c1)C[*:1] O=C(N[*:1])c1ccccc1C(=O)c1ccc(F)cc1
O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1ccccc1C(=O)[*:1]
C[C@H](CNS(=O)(=O)c1ccc2c(c1)c(=O)n(CC(=O)N1CCCC1)c(=O)n2C)c1ccccc1 O=C(N1CCCC1)[*:1] C[C@H](CNS(=O)(=O)c1ccc2c(c1)c(=O)n(C[*:1])c(=O)n2C)c1ccccc1
C[C@H](CNS(=O)(=O)c1ccc2c(c1)c(=O)n(CC(=O)N1CCCC1)c(=O)n2C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNS(=O)(=O)c1ccc2c(c1)c(=O)n(CC(=O)N1CCCC1)c(=O)n2C)[*:1]
C[C@H](CNS(=O)(=O)c1ccc2c(c1)c(=O)n(CC(=O)N1CCCC1)c(=O)n2C)c1ccccc1 O=C(C[*:1])N1CCCC1 C[C@H](CNS(=O)(=O)c1ccc2c(c1)c(=O)n(c(=O)n2C)[*:1])c1ccccc1
C[C@@H](O)CCOCCCBr C[C@@H](O)[*:1] BrCCCOCC[*:1]
C[C@@H](O)CCOCCCBr BrCC[*:1] C[C@@H](O)CCOC[*:1]
CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CC CCO[*:1] CCC(=O)N[C@H](CC(C)C)c1ccccc1[*:1]
CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CC CC(C)[*:1] CCOc1ccccc1[C@@H](C[*:1])NC(=O)CC
CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CC CCC(=O)N[*:1] CCOc1ccccc1[C@@H](CC(C)C)[*:1]
CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CC CC(C)C[*:1] CCOc1ccccc1[C@@H](NC(=O)CC)[*:1]
COc1ccc([C@H](CC(=O)Oc2ccc(F)cc2Cl)NC(C)=O)cc1 Fc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)[C@H](CC(=O)O[*:1])NC(C)=O
COc1ccc([C@H](CC(=O)Oc2ccc(F)cc2Cl)NC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)Oc1ccc(F)cc1Cl)[*:1]
COc1ccc([C@H](CC(=O)Oc2ccc(F)cc2Cl)NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@H](CC(=O)Oc1ccc(F)cc1Cl)[*:1]
Cc1c(-c2cccs2)nn2c(=O)c3c([nH]c12)CN(C(=O)c1cscn1)C3 c1nc(cs1)[*:1] Cc1c(nn2c(=O)c3CN(Cc3[nH]c12)C(=O)[*:1])-c1cccs1
Cc1c(-c2cccs2)nn2c(=O)c3c([nH]c12)CN(C(=O)c1cscn1)C3 c1csc(c1)[*:1] Cc1c(nn2c(=O)c3CN(Cc3[nH]c12)C(=O)c1cscn1)[*:1]
CC(C)[C@H](Sc1nnc(Cc2cccs2)o1)C(=O)N1CCc2ccccc21 CC(C)[*:1] O=C([C@@H](Sc1nnc(Cc2cccs2)o1)[*:1])N1CCc2ccccc21
CC(C)[C@H](Sc1nnc(Cc2cccs2)o1)C(=O)N1CCc2ccccc21 c1csc(c1)[*:1] CC(C)[C@H](Sc1nnc(C[*:1])o1)C(=O)N1CCc2ccccc21
CC(C)[C@H](Sc1nnc(Cc2cccs2)o1)C(=O)N1CCc2ccccc21 c1csc(c1)C[*:1] CC(C)[C@H](Sc1nnc(o1)[*:1])C(=O)N1CCc2ccccc21
COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccsc1 COc1ccccc1[*:1] CC1NC(=O)N[C@@H](C=1C(=O)N[*:1])c1ccsc1
COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccsc1 c1cc(cs1)[*:1] COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1[*:1]
COCC(=O)N1CCN(Cc2cc(F)ccc2Br)CC1 COC[*:1] O=C(N1CCN(CC1)Cc1cc(F)ccc1Br)[*:1]
COc1ccc([C@@H](CN2C(=O)c3ccccc3S2(=O)=O)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@H](CN1C(=O)c2ccccc2S1(=O)=O)[*:1]
COc1ccc(SCC(=O)N[C@H](C)Cc2cccs2)cc1 c1csc(c1)C[*:1] COc1ccc(cc1)SCC(=O)N[C@H](C)[*:1]
COc1ccc(SCC(=O)N[C@H](C)Cc2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)SCC(=O)N[C@H](C)C[*:1]
COc1ccc(CN2C(=O)[C@@H]3[C@@H](CCC(=O)[O-])N[C@@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)cc1 COc1ccc(cc1)[*:1] O=C([O-])CC[C@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
COc1ccc(CN2C(=O)[C@@H]3[C@@H](CCC(=O)[O-])N[C@@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)cc1 COc1ccc(cc1)C[*:1] O=C([O-])CC[C@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
COc1ccc(CN2C(=O)[C@@H]3[C@@H](CCC(=O)[O-])N[C@@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)cc1 O=C([O-])[*:1] COc1ccc(cc1)CN1C(=O)[C@@H]2[C@@H](CC[*:1])N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O
CC[C@@H](S[C@@H]1N=Nc2nc3ccccc3n21)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](S[C@@H]1N=Nc2nc3ccccc3n21)C(=O)NC[*:1]
CC[C@@H](S[C@@H]1N=Nc2nc3ccccc3n21)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H](S[C@@H]1N=Nc2nc3ccccc3n21)C(=O)N[*:1]
CSc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1 O=[N+]([O-])[*:1] CSc1ccc2nc(sc2c1)N(CC[NH+](C)C)C(=O)c1ccc(C)c(c1)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N[C@@H]1CCCC[C@@H]1C Fc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N[C@@H]1CCCC[C@@H]1C
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N[C@@H]1CCCC[C@@H]1C CC(C)[*:1] C[C@H]1CCCC[C@H]1NC(=O)[C@H](NC(=O)c1ccccc1F)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N[C@@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@H]1[*:1] CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N[*:1]
Cc1cc(C)c(NC(=O)CO/N=C/c2ccccc2C)c(Cl)c1 Cc1ccccc1[*:1] Cc1cc(C)c(NC(=O)CON=C[*:1])c(Cl)c1
COC(=O)[C@](O)(c1ccc(NC(=O)c2ccccc2)cc1)C(F)(F)F COC(=O)[*:1] O=C(Nc1ccc(cc1)[C@@](O)(C(F)(F)F)[*:1])c1ccccc1
COC(=O)[C@](O)(c1ccc(NC(=O)c2ccccc2)cc1)C(F)(F)F c1ccc(cc1)[*:1] COC(=O)[C@](O)(c1ccc(cc1)NC(=O)[*:1])C(F)(F)F
COC(=O)[C@](O)(c1ccc(NC(=O)c2ccccc2)cc1)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@](O)(c1ccc(cc1)NC(=O)c1ccccc1)[*:1]
C[C@]1(CCC(=O)[O-])CCCCC1=O O=C([O-])C[*:1] C[C@@]1(CCCCC1=O)C[*:1]
C[C@]1(CCC(=O)[O-])CCCCC1=O O=C([O-])[*:1] C[C@@]1(CCCCC1=O)CC[*:1]
CCSC(SCC)=C1C(=O)CC(C)(C)CC1=O CCS[*:1] CCSC(=C1C(=O)CC(C)(C)CC1=O)[*:1]
CCOc1ccccc1[C@@H]1C2=C(C[C@@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 FC(F)(F)[*:1] CCOc1ccccc1[C@@H]1C2C(=O)C[C@H](C)CC=2Nc2nc(nn21)[*:1]
CCOc1ccccc1[C@@H]1C2=C(C[C@@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 CCO[*:1] C[C@H]1CC(=O)C2=C(C1)Nc1nc(nn1[C@@H]2c1ccccc1[*:1])C(F)(F)F
CCOc1ccccc1[C@@H]1C2=C(C[C@@H](C)CC2=O)Nc2nc(C(F)(F)F)nn21 CCOc1ccccc1[*:1] C[C@H]1CC(=O)C2=C(C1)Nc1nc(nn1[C@@H]2[*:1])C(F)(F)F
Cc1ccc(NCC[NH2+]CCc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NCC[NH2+]CC[*:1])c(C)c1
Cn1nnnc1SCC(=O)N1CCC[C@@H]1c1cccc2ccccc12 Cn1nnnc1SC[*:1] O=C(N1CCC[C@@H]1c1cccc2ccccc12)[*:1]
Cn1nnnc1SCC(=O)N1CCC[C@@H]1c1cccc2ccccc12 Cn1nnnc1S[*:1] O=C(C[*:1])N1CCC[C@@H]1c1cccc2ccccc12
Cn1nnnc1SCC(=O)N1CCC[C@@H]1c1cccc2ccccc12 Cn1nnnc1[*:1] O=C(CS[*:1])N1CCC[C@@H]1c1cccc2ccccc12
CCC(=O)[C@@H]1C(=O)CC(C)(C)C/C1=N\CCC1=c2cc(F)ccc2=[NH+][C@H]1C CCC(=O)[*:1] C[C@@H]1[NH+]=c2ccc(F)cc2=C1CC/N=C1\CC(C)(C)CC(=O)[C@H]1[*:1]
Cc1cccc(-n2c(S[C@@H](C)C(=O)N3CCCC3)nnc2-c2c[nH]c3ccccc23)c1 c1ccc2c(c[nH]c2c1)[*:1] Cc1cccc(c1)-n1c(nnc1[*:1])S[C@@H](C)C(=O)N1CCCC1
Cc1cccc(-n2c(S[C@@H](C)C(=O)N3CCCC3)nnc2-c2c[nH]c3ccccc23)c1 Cc1cccc(c1)[*:1] C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1[*:1])C(=O)N1CCCC1
Cc1cccc(-n2c(S[C@@H](C)C(=O)N3CCCC3)nnc2-c2c[nH]c3ccccc23)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)-n1c(nnc1-c1c[nH]c2ccccc12)S[C@@H](C)[*:1]
O=C1[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] O=C1[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1[*:1]
O=C1[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C1[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 c1ccc(cc1)[*:1] CCC[C@@H](C[*:1])NC(=O)N1CCCN(CC1)C(=O)C(C)(C)C
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 c1ccc(cc1)C[*:1] CCC[C@@H](NC(=O)N1CCCN(CC1)C(=O)C(C)(C)C)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 CCC[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)N[C@H](Cc1ccccc1)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] CCC[C@@H](Cc1ccccc1)NC(=O)N1CCCN(CC1)C(=O)[*:1]
CCOCCSc1ccc(N)cn1 CCOC[*:1] Nc1ccc(nc1)SC[*:1]
CCOCCSc1ccc(N)cn1 CCO[*:1] Nc1ccc(nc1)SCC[*:1]
Cc1cc(NC(=O)C(=O)N[C@H](C)CCC2CCCC2)c2ncccc2c1 C1CCC(C1)[*:1] Cc1cc(NC(=O)C(=O)N[C@H](C)CC[*:1])c2ncccc2c1
Cc1cc(NC(=O)C(=O)N[C@H](C)CCC2CCCC2)c2ncccc2c1 C1CCC(C1)C[*:1] Cc1cc(NC(=O)C(=O)N[C@H](C)C[*:1])c2ncccc2c1
Cc1cc(NC(=O)C(=O)N[C@H](C)CCC2CCCC2)c2ncccc2c1 C1CCC(C1)CC[*:1] Cc1cc(NC(=O)C(=O)N[C@H](C)[*:1])c2ncccc2c1
Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)c3cc4c([nH]c3=O)CCCCC4)n2)n1 Cc1csc(n1)N[*:1] O=C(c1cc2CCCCCc2[nH]c1=O)N1CCC[C@H]1c1cccc(n1)[*:1]
Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)c3cc4c([nH]c3=O)CCCCC4)n2)n1 Cc1csc(n1)[*:1] O=C(c1cc2CCCCCc2[nH]c1=O)N1CCC[C@H]1c1cccc(n1)N[*:1]
O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccno1 c1cc(on1)[*:1] O=C(c1ccccc1)c1sc(nc1-c1ccccc1)NC(=O)[*:1]
O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccno1 O=C(N[*:1])c1ccno1 O=C(c1ccccc1)c1sc(nc1-c1ccccc1)[*:1]
O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccno1 c1ccc(cc1)[*:1] O=C(Nc1nc(-c2ccccc2)c(s1)C(=O)[*:1])c1ccno1
O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccno1 O=C(c1ccccc1)[*:1] O=C(Nc1nc(-c2ccccc2)c(s1)[*:1])c1ccno1
O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccno1 c1ccc(cc1)[*:1] O=C(Nc1nc(c(s1)C(=O)c1ccccc1)[*:1])c1ccno1
CCOc1ccc(C(=O)Nc2cccc(CC)c2)cc1 CCO[*:1] CCc1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
O=C(NCCCc1ccccc1)c1cc(-c2cccs2)[nH]n1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])c1cc([nH]n1)-c1cccs1
O=C(NCCCc1ccccc1)c1cc(-c2cccs2)[nH]n1 c1csc(c1)[*:1] O=C(NCCCc1ccccc1)c1cc([nH]n1)[*:1]
O=C(NCCCc1ccccc1)c1cc(-c2cccs2)[nH]n1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])c1cc([nH]n1)-c1cccs1
CCOC(=O)c1c(C)nc(N)nc1COc1ccc(OC)cc1 CCOC(=O)[*:1] COc1ccc(cc1)OCc1nc(N)nc(C)c1[*:1]
CCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1C1=NC(=O)[C@@H]2C(=N1)C(C(C)(C)C)=NN2C CCO[*:1] CN1N=C(C2=NC(=NC(=O)[C@H]21)c1cc(ccc1[*:1])S(=O)(=O)NC1CCCCC1)C(C)(C)C
CCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1C1=NC(=O)[C@@H]2C(=N1)C(C(C)(C)C)=NN2C CC(C)(C)[*:1] CCOc1ccc(cc1C1=NC(=O)[C@@H]2C(=N1)C(=NN2C)[*:1])S(=O)(=O)NC1CCCCC1
CCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1C1=NC(=O)[C@@H]2C(=N1)C(C(C)(C)C)=NN2C C1CCC(CC1)[*:1] CCOc1ccc(cc1C1=NC(=O)[C@@H]2C(=N1)C(=NN2C)C(C)(C)C)S(=O)(=O)N[*:1]
CCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1C1=NC(=O)[C@@H]2C(=N1)C(C(C)(C)C)=NN2C O=S(=O)(NC1CCCCC1)[*:1] CCOc1ccc(cc1C1=NC(=O)[C@@H]2C(=N1)C(=NN2C)C(C)(C)C)[*:1]
C#CCOc1ccc(CCNC(=O)N2CC[C@H](C)[C@@H](O)C2)cc1 C#CC[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NCCc1ccc(cc1)O[*:1]
C#CCOc1ccc(CCNC(=O)N2CC[C@H](C)[C@@H](O)C2)cc1 C#CCO[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NCCc1ccc(cc1)[*:1]
O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@H]1[*:1]
O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 c1cc(ccn1)[*:1] O=C(C[*:1])NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1
O=C(Cc1ccncc1)NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 c1cc(ccn1)C[*:1] O=C(NNC(=O)[*:1])[C@H]1C[C@@H]1c1cccc(F)c1
Cc1cc2ncn(CC(=O)N(C)c3ccccc3)c2cc1C c1ccc(cc1)[*:1] Cc1cc2ncn(CC(=O)N(C)[*:1])c2cc1C
CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 CC(C)[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@H](C1)OCC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 CC(C)CCO[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@H](C1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 CC(C)C[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 CC(C)CC[*:1] C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)CCO[C@@H]1CCN(C1)C(=O)[C@H](C)NC(=O)N[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2Br)cc1 CC(C)N(C)S(=O)(=O)[*:1] O=C(Oc1ccccc1Br)c1ccc(cc1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2Br)cc1 Brc1ccccc1[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)C(=O)O[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2Br)cc1 CC(C)[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)Oc1ccccc1Br)[*:1]
Cc1cccc(NC(=O)COC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)c1C Cc1cccc(c1C)[*:1] O=C(COC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)N[*:1]
Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2nc3ccccc3[nH]2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)N[C@H](C)[*:1])c1nc2ccccc2[nH]1
CNc1cc(C(=O)NCc2cccc(-c3n[nH]c(C)n3)c2)cc(Cl)n1 Cc1nc(n[nH]1)[*:1] CNc1cc(cc(Cl)n1)C(=O)NCc1cccc(c1)[*:1]
COc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3oc4ccccc4c32)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(=O)c2oc3ccccc3c2n(CC(=O)N[*:1])c1=O
COc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3oc4ccccc4c32)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Cn1c(=O)n(c(=O)c2oc3ccccc3c21)[*:1]
COc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3oc4ccccc4c32)cc1 COc1ccc(cc1)NC(=O)[*:1] Cc1ccc(cc1)-n1c(=O)c2oc3ccccc3c2n(C[*:1])c1=O
CCCSc1n[nH]c(=O)n1CCC CCC[*:1] CCCn1c(n[nH]c1=O)S[*:1]
CCCSc1n[nH]c(=O)n1CCC CCC[*:1] CCCSc1n[nH]c(=O)n1[*:1]
CCCSc1n[nH]c(=O)n1CCC CCCS[*:1] CCCn1c(n[nH]c1=O)[*:1]
Cc1ccc(CNC(=O)Nc2nnc(C3CC3)s2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)Nc2nnc(s2)C2CC2)c(c1)[*:1]
Cc1ccc(CNC(=O)Nc2nnc(C3CC3)s2)c(N(C)C)c1 C1CC1[*:1] Cc1ccc(CNC(=O)Nc2nnc(s2)[*:1])c(c1)N(C)C
CC(C)=C[C@H]1[C@@H](C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1(C)C CC(C)=C[*:1] CC1(C)[C@H]([C@H]1C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)=C[C@H]1[C@@H](C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1(C)C O=S1(=O)CC[C@H](C1)[*:1] CC(C)=C[C@H]1[C@@H](C(=O)N(C2CC2)[*:1])C1(C)C
CC(C)=C[C@H]1[C@@H](C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1(C)C C1CC1[*:1] CC(C)=C[C@H]1[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)[*:1])C1(C)C
C[C@@H](OC(=O)Nc1cccc(Cl)c1)C(=O)OC1CCCCC1 Clc1cccc(c1)[*:1] C[C@@H](OC(=O)N[*:1])C(=O)OC1CCCCC1
C[C@@H](OC(=O)Nc1cccc(Cl)c1)C(=O)OC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](OC(=O)Nc1cccc(Cl)c1)C(=O)O[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)NCCCOCc1ccco1 c1coc(c1)CO[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCCC[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)NCCCOCc1ccco1 c1coc(c1)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCCCOC[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)NCCCOCc1ccco1 c1coc(c1)C[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCCCO[*:1]
COC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1[C@@H](C(=O)OC)CC2 COC(=O)[*:1] COC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(cc3)C(C)(C)C)c(c21)[*:1]
COC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1[C@@H](C(=O)OC)CC2 CC(C)(C)[*:1] COC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc2CC[C@H](C(=O)OC)c21
COC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1[C@@H](C(=O)OC)CC2 COC(=O)[*:1] COC(=O)c1c(NC(=O)c2ccc(cc2)C(C)(C)C)sc2CC[C@H](c21)[*:1]
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(CC#N)cc1 Fc1ccc(F)c(c1)[*:1] C[C@H](N(C)C(=O)Nc1ccc(cc1)CC#N)[*:1]
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 CNC(=O)[*:1] Cc1ccc(cc1C)N1C(=O)[C@H](Cc2cc(ccc2Cl)C(F)(F)F)SC1=C(C#N)[*:1]
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(ccc2Cl)C(F)(F)F)C(=O)N1[*:1]
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 FC(F)(F)c1ccc(Cl)c(c1)[*:1] CNC(=O)/C(C#N)=C1/S[C@@H](C[*:1])C(=O)N1c1ccc(C)c(C)c1
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 FC(F)(F)[*:1] CNC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(ccc2Cl)[*:1])C(=O)N1c1ccc(C)c(C)c1
O=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)NCc1ccc2c(c1)OCO2 Brc1ccc(cc1)[*:1] O=C(CN1CCN(CC1=O)C(=O)N[*:1])NCc1ccc2OCOc2c1
O=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C(CN1CCN(CC1=O)C(=O)Nc1ccc(Br)cc1)N[*:1]
O=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CN1CCN(CC1=O)C(=O)Nc1ccc(Br)cc1)NC[*:1]
O=C(OCc1ccccc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 c1ccc(cc1)[*:1] O=C(OC[*:1])N1CC[C@H]2[NH2+]CC[C@@H]2C1
C[C@H]1C[C@@H](C)CCN(C(=O)C(=O)Nc2cccnc2Cl)C1 Clc1ncccc1[*:1] C[C@H]1C[C@@H](C)CCN(C1)C(=O)C(=O)N[*:1]
CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCC2 c1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]2[*:1])sc2CCCCc21
CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCC2 CCOC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])[C@H]1C[C@H]1c1ccccc1
CCCN1C(N)=[NH+]C[C@H]1[C@H]1CCOC1 CCC[*:1] NC1=[NH+]C[C@@H]([C@H]2CCOC2)N1[*:1]
C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(cc1)O[*:1]
C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(OC(F)F)cc1 c1cnc(nc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(cc1)OC(F)F
C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(OC(F)F)cc1 c1cnc(nc1)S[*:1] C[C@@H](C(=O)Nc1ccc(cc1)OC(F)F)[*:1]
CCOC(=O)C[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1ccc(Br)cc1 C[C@H]1C[C@@H]1[*:1] CCOC(=O)C[C@H](NC(=O)N[*:1])c1ccc(Br)cc1
CCOC(=O)C[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CCOC(=O)C[C@H](NC(=O)N[C@H]1C[C@@H]1C)[*:1]
CCOC(=O)C[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1ccc(Br)cc1 CCOC(=O)C[*:1] C[C@H]1C[C@@H]1NC(=O)N[C@H](c1ccc(Br)cc1)[*:1]
CCOC(=O)C[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1ccc(Br)cc1 CCOC(=O)[*:1] C[C@H]1C[C@@H]1NC(=O)N[C@@H](C[*:1])c1ccc(Br)cc1
CC(C)[NH+]1CCC(CNC(=O)CSCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(C)[NH+]1CCC(CC1)CNC(=O)CS[*:1]
CC(C)[NH+]1CCC(CNC(=O)CSCc2ccccc2)CC1 CC(C)[*:1] O=C(CSCc1ccccc1)NCC1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCC(CNC(=O)CSCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[NH+]1CCC(CC1)CNC(=O)CSC[*:1]
COC(=O)c1c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)[C@@H]2CCCN(C2)S(C)(=O)=O)c(c1C)[*:1]
CCOc1ccccc1OCC(=O)N[C@@H]1c2ccccc2C[C@@H]1C CCO[*:1] C[C@H]1Cc2ccccc2[C@H]1NC(=O)COc1ccccc1[*:1]
CC(C)c1ccc([C@@H](C)[NH2+]CC2(CO)CCOCC2)cc1 CC(C)[*:1] C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(cc1)[*:1]
O=C(OC[C@H]1CCCCO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(OC[C@H]1CCCCO1)c1ccc(c(c1)[*:1])N1CCCC1
O=C(OC[C@H]1CCCCO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] O=C(OC[C@H]1CCCCO1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(OC[C@H]1CCCCO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CC[C@H](C[*:1])OC1 O=C(O[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
CNC(=O)c1cccc(CSc2nnc(Nc3ccccc3)s2)c1 CNC(=O)[*:1] c1ccc(cc1)Nc1nnc(SCc2cccc(c2)[*:1])s1
CNC(=O)c1cccc(CSc2nnc(Nc3ccccc3)s2)c1 c1ccc(cc1)N[*:1] CNC(=O)c1cccc(c1)CSc1nnc(s1)[*:1]
CNC(=O)c1cccc(CSc2nnc(Nc3ccccc3)s2)c1 c1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)CSc1nnc(N[*:1])s1
COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O COc1ccccc1C[*:1] O=C1CN(C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccc(cc3)[N+](=O)[O-])N12)[*:1]
COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])[*:1] COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(cc2)[*:1])C1=O
COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@H]2[*:1])C1=O
COc1ccccc1CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O COc1ccccc1[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccc(cc3)[N+](=O)[O-])N2C(=O)CN1C[*:1]
Cc1ccc(Nc2cc(C)n3c(=O)n(Cc4ccccc4)nc3n2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)Nc1cc(C)n2c(=O)n(nc2n1)[*:1]
Cc1ccc(Nc2cc(C)n3c(=O)n(Cc4ccccc4)nc3n2)cc1 Cc1ccc(cc1)N[*:1] Cc1cc(nc2nn(Cc3ccccc3)c(=O)n12)[*:1]
Cc1ccc(Nc2cc(C)n3c(=O)n(Cc4ccccc4)nc3n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(nc2nn(Cc3ccccc3)c(=O)n12)N[*:1]
Cc1ccc(Nc2cc(C)n3c(=O)n(Cc4ccccc4)nc3n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Nc1cc(C)n2c(=O)n(C[*:1])nc2n1
Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(Br)c2ccccc12 C1CN(CCO1)C[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccc(Br)c2ccccc12
Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(Br)c2ccccc12 C1CN(CCO1)[*:1] Cn1c(C[*:1])nnc1SCC(=O)Nc1ccc(Br)c2ccccc12
CCOC(=O)c1c(/N=C/c2cccc(OC)c2O)sc2c1CCCC2 CCOC(=O)[*:1] COc1cccc(/C=N/c2sc3CCCCc3c2[*:1])c1O
C=CCNc1ncnc(N2CCCCCC2)c1N C=CCN[*:1] Nc1c(ncnc1[*:1])N1CCCCCC1
C=CCNc1ncnc(N2CCCCCC2)c1N C=CC[*:1] Nc1c(ncnc1N1CCCCCC1)N[*:1]
CCOCCN(C)C(=O)c1ccc(C)c([N-]S(C)(=O)=O)c1 CCOC[*:1] Cc1ccc(cc1[N-]S(C)(=O)=O)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)c1ccc(C)c([N-]S(C)(=O)=O)c1 CCOCC[*:1] Cc1ccc(cc1[N-]S(C)(=O)=O)C(=O)N(C)[*:1]
CCOCCN(C)C(=O)c1ccc(C)c([N-]S(C)(=O)=O)c1 CCO[*:1] Cc1ccc(cc1[N-]S(C)(=O)=O)C(=O)N(C)CC[*:1]
NC(=O)c1cncc(N2CCC(OCc3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] NC(=O)c1cncc(n1)N1CCC(CC1)OC[*:1]
NC(=O)c1cncc(N2CCC(OCc3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)C[*:1] NC(=O)c1cncc(n1)N1CCC(CC1)O[*:1]
NC(=O)c1cncc(N2CCC(OCc3ccc(F)cc3)CC2)n1 NC(=O)[*:1] Fc1ccc(cc1)COC1CCN(CC1)c1cncc(n1)[*:1]
CCc1nn(C)cc1C(=O)NC1CC[NH+](CC(N)=O)CC1 NC(=O)[*:1] CCc1nn(C)cc1C(=O)NC1CC[NH+](CC1)C[*:1]
CCc1nn(C)cc1C(=O)NC1CC[NH+](CC(N)=O)CC1 NC(=O)C[*:1] CCc1nn(C)cc1C(=O)NC1CC[NH+](CC1)[*:1]
C=CCSc1nnc(CNC(=O)c2ccc(Cl)cc2)n1CC Clc1ccc(cc1)[*:1] C=CCSc1nnc(CNC(=O)[*:1])n1CC
C=CCSc1nnc(CNC(=O)c2ccc(Cl)cc2)n1CC C=CCS[*:1] CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1[*:1]
C=CCSc1nnc(CNC(=O)c2ccc(Cl)cc2)n1CC C=CC[*:1] CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1S[*:1]
CC1(C)C[C@H]([NH2+]C[C@H](O)C2CCOCC2)C(C)(C)O1 C1CC(CCO1)[*:1] CC1(C)C[C@H]([NH2+]C[C@H](O)[*:1])C(C)(C)O1
Cc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)o1 Cc1ccc(o1)[*:1] Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C[*:1]
COc1ccc(OC)c(NC(=O)N2CC[C@@](C)(O)[C@@H](CC(C)C)C2)c1 CC(C)C[*:1] COc1ccc(OC)c(c1)NC(=O)N1CC[C@@](C)(O)[C@@H](C1)[*:1]
COc1ccc(OC)c(NC(=O)N2CC[C@@](C)(O)[C@@H](CC(C)C)C2)c1 CC(C)[*:1] COc1ccc(OC)c(c1)NC(=O)N1CC[C@@](C)(O)[C@H](C1)C[*:1]
Cc1cc(C(=O)CN2CCN(CCO)CC2)c(C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)CN2CCN(CCO)CC2)c(C)n1[*:1]
Cc1cc(C(=O)CN2CCN(CCO)CC2)c(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CN2CCN(CCO)CC2)c(C)n1C[*:1]
Cc1cc(C(=O)CN2CCN(CCO)CC2)c(C)n1Cc1ccccc1 OCC[*:1] Cc1cc(C(=O)CN2CCN(CC2)[*:1])c(C)n1Cc1ccccc1
O=C(NCCCc1cccc(Br)c1)NNC(=O)[C@H]1CCCO1 Brc1cccc(c1)[*:1] O=C(NCCC[*:1])NNC(=O)[C@H]1CCCO1
O=C(NCCCc1cccc(Br)c1)NNC(=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NCCCc1cccc(Br)c1)NNC(=O)[*:1]
COC[C@@H](C)[NH2+]CC(=O)Nc1ccc(F)cc1C COC[*:1] Cc1cc(F)ccc1NC(=O)C[NH2+][C@H](C)[*:1]
C[C@@H](NC(=O)C[S@](=O)Cc1nnnn1C1CC1)c1ccccc1 C1CC1[*:1] C[C@@H](NC(=O)C[S@](=O)Cc1nnnn1[*:1])c1ccccc1
C[C@@H](NC(=O)C[S@](=O)Cc1nnnn1C1CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C[S@](=O)Cc1nnnn1C1CC1)[*:1]
COC(C)(C)[C@@H]([NH3+])c1ccc(C(C)C)cc1 COC(C)(C)[*:1] CC(C)c1ccc(cc1)[C@H]([NH3+])[*:1]
COC(C)(C)[C@@H]([NH3+])c1ccc(C(C)C)cc1 CC(C)[*:1] COC(C)(C)[C@@H]([NH3+])c1ccc(cc1)[*:1]
CCCOc1ncnc(N[C@H](C)c2ccccn2)c1N CCC[*:1] C[C@@H](Nc1ncnc(O[*:1])c1N)c1ccccn1
CCCOc1ncnc(N[C@H](C)c2ccccn2)c1N CCCO[*:1] C[C@@H](Nc1ncnc(c1N)[*:1])c1ccccn1
CCCOc1ncnc(N[C@H](C)c2ccccn2)c1N c1ccc(nc1)[*:1] CCCOc1ncnc(N[C@H](C)[*:1])c1N
CC[NH+]1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(OC)c(C)c2)CC1 COc1ccc(cc1C)[*:1] CC[NH+]1CCN(CC1)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[*:1]
C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)N3CCOCC3)c1)c1ccccc1O2 O=C(N1CCOCC1)[*:1] C[C@]12C[C@H](NC(=O)N1c1cccc(c1)[*:1])c1ccccc1O2
C[C@@H](Cn1cccn1)NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 c1cnn(c1)C[*:1] C[C@@H](NC(=O)N[C@H](C)c1ccc2OCCOc2c1)[*:1]
C[C@@H](Cn1cccn1)NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 C[C@@H](Cn1cccn1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc2OCCOc2c1
C[C@@H](Cn1cccn1)NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 c1cnn(c1)[*:1] C[C@@H](C[*:1])NC(=O)N[C@H](C)c1ccc2OCCOc2c1
CC(=O)OCCCCSc1nc2ccccc2s1 CC(=O)O[*:1] c1ccc2sc(nc2c1)SCCCC[*:1]
CC(=O)OCCCCSc1nc2ccccc2s1 CC(=O)OC[*:1] c1ccc2sc(nc2c1)SCCC[*:1]
CC(=O)OCCCCSc1nc2ccccc2s1 CC(=O)OCC[*:1] c1ccc2sc(nc2c1)SCC[*:1]
CC(C)COc1cccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 CC(C)CO[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CC(C)COc1cccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 CC(C)C[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)O[*:1]
CC(C)COc1cccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1 CC(C)[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)OC[*:1]
C[C@@H]1CN(c2nc(Br)cs2)C[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@@H]1CN(C[C@H]1[*:1])c1nc(Br)cs1
O=C(/C=C/c1ccccc1)NCCc1ccccn1 c1ccc(nc1)[*:1] O=C(/C=C/c1ccccc1)NCC[*:1]
O=C(/C=C/c1ccccc1)NCCc1ccccn1 c1ccc(cc1)[*:1] O=C(C=C[*:1])NCCc1ccccn1
O=C(/C=C/c1ccc(Br)cc1)c1cccc(N2CCCC2=O)c1 Brc1ccc(cc1)[*:1] O=C(C=C[*:1])c1cccc(c1)N1CCCC1=O
O=C(/C=C/c1ccc(Br)cc1)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(/C=C/c1ccc(Br)cc1)c1cccc(c1)[*:1]
CC[C@H]1CO[C@@H](C)CN1CCC1([NH3+])CCC1 [NH3+]C1(CCC1)[*:1] CC[C@H]1CO[C@@H](C)CN1CC[*:1]
O=C([O-])[C@@H](Cc1ccccc1)Nc1ccc(Cl)c(Br)c1 c1ccc(cc1)[*:1] O=C([O-])[C@@H](C[*:1])Nc1ccc(Cl)c(Br)c1
O=C([O-])[C@@H](Cc1ccccc1)Nc1ccc(Cl)c(Br)c1 O=C([O-])[*:1] Clc1ccc(cc1Br)N[C@H](Cc1ccccc1)[*:1]
O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 Clc1ccc(cc1)[*:1] O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(C[*:1])c2ccccc21
O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 Clc1ccc(cc1)C[*:1] O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(c2ccccc21)[*:1]
O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 O=C(/C=C/c1ccco1)[*:1] O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@]1(O)C[*:1]
O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 c1coc(c1)[*:1] O=C(C=C[*:1])C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21
O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 C(=C[*:1])c1ccco1 O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@]1(O)CC(=O)[*:1]
O=C(CS(=O)(=O)c1ncccc1Cl)N1CCc2ccccc21 Clc1cccnc1[*:1] O=C(CS(=O)(=O)[*:1])N1CCc2ccccc21
O=C(NCCc1nc[nH]n1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1nc[nH]n1)[C@H]1CCCN1S(=O)(=O)[*:1]
CCCCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(C)C2=O CCCCNC(=O)[*:1] CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)NC1CCCCC1)[*:1]
CCCCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(C)C2=O O=C(NC1CCCCC1)[*:1] CCCCNC(=O)c1cc2C(=O)N(C)[C@@](C)(Cn2n1)[*:1]
CCCCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(C)C2=O C1CCC(CC1)[*:1] CCCCNC(=O)c1cc2C(=O)N(C)[C@](C)(Cn2n1)C(=O)N[*:1]
CCCCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(C)C2=O CCC[*:1] CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)NC1CCCCC1)C(=O)NC[*:1]
CCCCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(C)C2=O CCCC[*:1] CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)NC1CCCCC1)C(=O)N[*:1]
Cc1c(C(=O)NCc2ccnc(OC3CCC3)c2)cnn1-c1ccccc1 C1CC(C1)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)NCc1ccnc(c1)O[*:1]
Cc1c(C(=O)NCc2ccnc(OC3CCC3)c2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)NCc1ccnc(c1)OC1CCC1
Cc1c(C(=O)NCc2ccnc(OC3CCC3)c2)cnn1-c1ccccc1 C1CC(C1)O[*:1] Cc1c(cnn1-c1ccccc1)C(=O)NCc1ccnc(c1)[*:1]
[NH3+][C@@H]1CC[C@H](n2ccnc2-c2cccs2)C1 c1csc(c1)[*:1] [NH3+][C@@H]1CC[C@@H](C1)n1ccnc1[*:1]
CC(C)n1cc([C@H](C)N[C@H](c2ccccc2)c2ccccn2)cn1 CC(C)n1cc(cn1)[*:1] C[C@H](N[C@H](c1ccccc1)c1ccccn1)[*:1]
CC(C)n1cc([C@H](C)N[C@H](c2ccccc2)c2ccccn2)cn1 c1ccc(cc1)[*:1] CC(C)n1cc(cn1)[C@H](C)N[C@H](c1ccccn1)[*:1]
CC(C)n1cc([C@H](C)N[C@H](c2ccccc2)c2ccccn2)cn1 c1ccc(nc1)[*:1] CC(C)n1cc(cn1)[C@H](C)N[C@H](c1ccccc1)[*:1]
CC(C)n1cc([C@H](C)N[C@H](c2ccccc2)c2ccccn2)cn1 CC(C)[*:1] C[C@H](N[C@H](c1ccccc1)c1ccccn1)c1cnn(c1)[*:1]
CCCCCC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C CCCC[*:1] C[C@H]1[C@@H](C)N(CCS1(=O)=O)C(=O)NCC(C)(C)C[*:1]
CCCCCC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C CCC[*:1] C[C@H]1[C@@H](C)N(CCS1(=O)=O)C(=O)NCC(C)(C)CC[*:1]
CCCCCC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C CCCCC[*:1] C[C@H]1[C@@H](C)N(CCS1(=O)=O)C(=O)NCC(C)(C)[*:1]
CCNC(=O)CNCc1c[nH+]cn1C1CC1 C1CC1[*:1] CCNC(=O)CNCc1c[nH+]cn1[*:1]
CCNC(=O)CNCc1c[nH+]cn1C1CC1 CCNC(=O)[*:1] c1[nH+]cn(c1CNC[*:1])C1CC1
CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O CCOCCC[*:1] COc1ccc(/C=C2\Oc3c(ccc4OCN(Cc43)[*:1])C2=O)cc1
CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O CCOCC[*:1] COc1ccc(/C=C2\Oc3c(ccc4OCN(Cc43)C[*:1])C2=O)cc1
CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O CCO[*:1] COc1ccc(/C=C2\Oc3c(ccc4OCN(CCC[*:1])Cc43)C2=O)cc1
CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O CCOC[*:1] COc1ccc(/C=C2\Oc3c(ccc4OCN(CC[*:1])Cc43)C2=O)cc1
CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O COc1ccc(cc1)[*:1] CCOCCCN1COc2ccc3C(=O)C(=C[*:1])Oc3c2C1
Cc1cc(-n2cccn2)ccc1CN1CCN[C@@H](C(=O)NC2CC2)C1 C1CC1[*:1] Cc1cc(ccc1CN1CCN[C@H](C1)C(=O)N[*:1])-n1cccn1
Cc1cc(-n2cccn2)ccc1CN1CCN[C@@H](C(=O)NC2CC2)C1 O=C(NC1CC1)[*:1] Cc1cc(ccc1CN1CCN[C@@H](C1)[*:1])-n1cccn1
Cc1cc(-n2cccn2)ccc1CN1CCN[C@@H](C(=O)NC2CC2)C1 c1cnn(c1)[*:1] Cc1cc(ccc1CN1CCN[C@H](C1)C(=O)NC1CC1)[*:1]
CC(C)N/C([O-])=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)C(=O)/C(C#N)=C(\[O-])N[*:1]
CC(C)N/C([O-])=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)N/C([O-])=C(\C#N)C(=O)c1ccc(cc1)[*:1]
CC(C)N/C([O-])=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1 CC(C)N[*:1] CC(C)(C)c1ccc(cc1)C(=O)/C(C#N)=C(\[O-])[*:1]
C[C@H](CO)NC(=O)NCCc1c[nH]c2ccc(Cl)cc12 C[C@H](CO)[*:1] O=C(NCCc1c[nH]c2ccc(Cl)cc12)N[*:1]
C[NH2+][C@@H](C)c1cc(F)ccc1OCc1ccno1 c1cc(on1)[*:1] C[NH2+][C@@H](C)c1cc(F)ccc1OC[*:1]
C[NH2+][C@@H](C)c1cc(F)ccc1OCc1ccno1 c1cc(C[*:1])on1 C[NH2+][C@@H](C)c1cc(F)ccc1O[*:1]
COCCC(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 COCC[*:1] O=C(N1CCC[C@H](C1)c1nnc(o1)-c1cccs1)[*:1]
COCCC(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 COC[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1nnc(o1)-c1cccs1
COCCC(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 c1csc(c1)[*:1] COCCC(=O)N1CCC[C@H](C1)c1nnc(o1)[*:1]
COCCOc1ccc([C@@H](C)NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1OC COCC[*:1] COc1cc(ccc1O[*:1])[C@@H](C)NC(=O)N1C[C@H]2CCCC[C@@H]2C1
COCCOc1ccc([C@@H](C)NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1OC COCCO[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)N1C[C@H]2CCCC[C@@H]2C1
COCCOc1ccc([C@@H](C)NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1OC COC[*:1] COc1cc(ccc1OC[*:1])[C@@H](C)NC(=O)N1C[C@H]2CCCC[C@@H]2C1
COC(=O)c1c(N)c2cc(F)ccc2n1C COC(=O)[*:1] Cn1c(c(N)c2cc(F)ccc21)[*:1]
CC(C)n1nccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 CC(C)n1nccc1NC(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCN(CC1)c1ccc(F)cc1
CC(C)n1nccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] CC(C)n1nccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)n1nccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 CC(C)[*:1] O=C(Nc1ccnn1[*:1])c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
CC(C)n1nccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 CC(C)n1nccc1[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
C[NH2+][C@@H]1CC[C@H](C)C[C@H]1Cc1nccs1 c1csc(n1)[*:1] C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C[*:1]
C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(Cc3ccco3)Cc3ccco3)ccc2Cl)C1 c1coc(c1)[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N(Cc1ccco1)C[*:1]
C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(Cc3ccco3)Cc3ccco3)ccc2Cl)C1 c1coc(c1)C[*:1] C[C@H]1CCCN(C1)S(=O)(=O)c1cc(ccc1Cl)C(=O)N(Cc1ccco1)[*:1]
O=C(Nc1nc2c(s1)CCCC2)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1nc2CCCCc2s1)[C@H]1CC(=O)N(C1)[*:1]
Cc1nnc(N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)s1 CS(=O)(=O)[*:1] Cc1nnc(N[C@@H](c2ccccc2)c2cccc(c2)[*:1])s1
Cc1nnc(N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)s1 Cc1nnc(N[*:1])s1 CS(=O)(=O)c1cccc(c1)[C@H](c1ccccc1)[*:1]
Cc1nnc(N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)s1 c1ccc(cc1)[*:1] Cc1nnc(N[C@@H](c2cccc(c2)S(C)(=O)=O)[*:1])s1
Cc1nnc(N[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)s1 Cc1nnc(s1)[*:1] CS(=O)(=O)c1cccc(c1)[C@@H](N[*:1])c1ccccc1
Cn1cc(/C=C/C(=O)c2ccsc2)c(-c2cccs2)n1 c1cc(cs1)[*:1] Cn1cc(/C=C/C(=O)[*:1])c(n1)-c1cccs1
Cn1cc(/C=C/C(=O)c2ccsc2)c(-c2cccs2)n1 c1csc(c1)[*:1] Cn1cc(/C=C/C(=O)c2ccsc2)c(n1)[*:1]
C[NH+](C)[C@H](CNC(=O)CCc1ccccc1)c1cccs1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)CC[*:1])c1cccs1
C[NH+](C)[C@H](CNC(=O)CCc1ccccc1)c1cccs1 c1ccc(cc1)C[*:1] C[NH+](C)[C@H](CNC(=O)C[*:1])c1cccs1
C[NH+](C)[C@H](CNC(=O)CCc1ccccc1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)CCc1ccccc1)[*:1]
CSC[C@H]1CCN(C(=O)N[C@H](c2nc(C)cs2)C2CC2)C1 Cc1csc(n1)[*:1] CSC[C@H]1CCN(C1)C(=O)N[C@H](C1CC1)[*:1]
CSC[C@H]1CCN(C(=O)N[C@H](c2nc(C)cs2)C2CC2)C1 CSC[*:1] Cc1csc(n1)[C@@H](NC(=O)N1CC[C@@H](C1)[*:1])C1CC1
CSC[C@H]1CCN(C(=O)N[C@H](c2nc(C)cs2)C2CC2)C1 C1CC1[*:1] CSC[C@H]1CCN(C1)C(=O)N[C@H](c1nc(C)cs1)[*:1]
C=C(C)[C@@H]([NH2+]C)c1ccc(Br)cc1 C=C(C)[*:1] C[NH2+][C@@H](c1ccc(Br)cc1)[*:1]
COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)cc1 COc1ccc(cc1)[*:1] CO[C@@]1(C)C[C@@H]([NH2+]Cc2c[nH]nc2[*:1])C1(C)C
CNC(=O)c1cc(NC(=O)c2cn(C)nc2-c2cccs2)ccc1F CNC(=O)[*:1] Cn1cc(C(=O)Nc2ccc(F)c(c2)[*:1])c(n1)-c1cccs1
CNC(=O)c1cc(NC(=O)c2cn(C)nc2-c2cccs2)ccc1F c1csc(c1)[*:1] CNC(=O)c1cc(ccc1F)NC(=O)c1cn(C)nc1[*:1]
Cc1cnc(Cl)nc1NCC[NH+](C)C1CCCC1 C1CCC(C1)[*:1] Cc1cnc(Cl)nc1NCC[NH+](C)[*:1]
CC(C)CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 CC(C)CC[*:1] O=C1c2ccccc2N[C@H](c2cccc(c2)O[*:1])N1Cc1ccco1
CC(C)CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 c1coc(c1)C[*:1] CC(C)CCOc1cccc(c1)[C@H]1Nc2ccccc2C(=O)N1[*:1]
CC(C)CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 CC(C)CCO[*:1] O=C1c2ccccc2N[C@H](c2cccc(c2)[*:1])N1Cc1ccco1
CC(C)CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 CC(C)[*:1] O=C1c2ccccc2N[C@H](c2cccc(c2)OCC[*:1])N1Cc1ccco1
CC(C)CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 CC(C)C[*:1] O=C1c2ccccc2N[C@H](c2cccc(c2)OC[*:1])N1Cc1ccco1
CC(C)CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 c1coc(c1)[*:1] CC(C)CCOc1cccc(c1)[C@H]1Nc2ccccc2C(=O)N1C[*:1]
COc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)Oc3ccc(Br)cc3)n2)c1 Brc1ccc(cc1)O[*:1] COc1ccc(OC)c(c1)-c1csc(n1)NC(=O)[C@H](C)[*:1]
COc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)Oc3ccc(Br)cc3)n2)c1 Brc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)-c1csc(n1)NC(=O)[C@H](C)O[*:1]
O=c1n(CCc2ccccc2)c2sc3c(c2c2nc(-c4ccco4)nn12)CCCC3 c1ccc(cc1)C[*:1] O=c1n(C[*:1])c2sc3CCCCc3c2c2nc(nn12)-c1ccco1
O=c1n(CCc2ccccc2)c2sc3c(c2c2nc(-c4ccco4)nn12)CCCC3 c1ccc(cc1)[*:1] O=c1n(CC[*:1])c2sc3CCCCc3c2c2nc(nn12)-c1ccco1
O=c1n(CCc2ccccc2)c2sc3c(c2c2nc(-c4ccco4)nn12)CCCC3 c1coc(c1)[*:1] O=c1n(CCc2ccccc2)c2sc3CCCCc3c2c2nc(nn12)[*:1]
O=c1n(CCc2ccccc2)c2sc3c(c2c2nc(-c4ccco4)nn12)CCCC3 c1ccc(cc1)CC[*:1] O=c1n(c2sc3CCCCc3c2c2nc(nn12)-c1ccco1)[*:1]
O=C(NCCNC(=O)c1cc(Cl)ccc1Cl)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C(NCCNC(=O)[*:1])c1cc(Cl)ccc1Cl
COCCN(Cc1cc(C#N)cs1)Cc1ccc(F)cc1Cl COCC[*:1] N#Cc1csc(c1)CN(Cc1ccc(F)cc1Cl)[*:1]
COCCN(Cc1cc(C#N)cs1)Cc1ccc(F)cc1Cl COC[*:1] N#Cc1csc(c1)CN(Cc1ccc(F)cc1Cl)C[*:1]
COCCN(Cc1cc(C#N)cs1)Cc1ccc(F)cc1Cl N#Cc1csc(c1)[*:1] COCCN(Cc1ccc(F)cc1Cl)C[*:1]
CSc1ccc(O[C@@H](C)C(=O)/N=c2\[nH]nc3cc(C)ccn23)cc1 CSc1ccc(cc1)[*:1] Cc1ccn2/c(=N/C(=O)[C@H](C)O[*:1])[nH]nc2c1
NC(=O)c1cccc(NC(=O)NCc2cccc(OCC(F)F)n2)c1 FC(F)CO[*:1] NC(=O)c1cccc(c1)NC(=O)NCc1cccc(n1)[*:1]
NC(=O)c1cccc(NC(=O)NCc2cccc(OCC(F)F)n2)c1 NC(=O)[*:1] O=C(NCc1cccc(n1)OCC(F)F)Nc1cccc(c1)[*:1]
NC(=O)c1cccc(NC(=O)NCc2cccc(OCC(F)F)n2)c1 FC(F)C[*:1] NC(=O)c1cccc(c1)NC(=O)NCc1cccc(n1)O[*:1]
NC(=O)c1cccc(NC(=O)NCc2cccc(OCC(F)F)n2)c1 FC(F)[*:1] NC(=O)c1cccc(c1)NC(=O)NCc1cccc(n1)OC[*:1]
CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2scc(-c3ccccc3)c2c1=O CC(=O)[*:1] CCn1c(nc2scc(-c3ccccc3)c2c1=O)SCC(=O)Nc1cccc(c1)[*:1]
CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2scc(-c3ccccc3)c2c1=O c1ccc(cc1)[*:1] CCn1c(nc2scc(c2c1=O)[*:1])SCC(=O)Nc1cccc(c1)C(C)=O
CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2scc(-c3ccccc3)c2c1=O CC(=O)c1cccc(c1)[*:1] CCn1c(nc2scc(-c3ccccc3)c2c1=O)SCC(=O)N[*:1]
CONC(=O)c1ccccc1SCc1nnnn1-c1ccccc1 CONC(=O)[*:1] c1ccc(cc1)-n1nnnc1CSc1ccccc1[*:1]
CONC(=O)c1ccccc1SCc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] CONC(=O)c1ccccc1SCc1nnnn1[*:1]
O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)C[NH+]1CCCC1)Nc1ccccc1[*:1]
c1cn(-c2cc(Nc3ccc4c(c3)OCCO4)ncn2)cn1 c1cn(cn1)[*:1] c1nc(cc(n1)[*:1])Nc1ccc2OCCOc2c1
CCOC(=O)C(=O)NNC(=O)c1cc(C)c(-c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] CCOC(=O)C(=O)NNC(=O)c1cc(C)c(s1)[*:1]
CNc1cc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc(Cl)n1 C[S@@](=O)[*:1] CNc1cc(cc(Cl)n1)C(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(CNc2nnc(C)c(C)c2C#N)cc1 CCN(CC)S(=O)(=O)[*:1] Cc1nnc(NCc2ccc(cc2)[*:1])c(C#N)c1C
Cc1cc(C)cc(NC(=O)C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])C(=O)N1CCO[C@H](C1)c1ccc(F)cc1
Cc1cc(C)cc(NC(=O)C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)N1CCO[C@@H](C1)[*:1]
CCC(O)(CC)CNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O CCC(O)(CC)[*:1] CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NC[*:1]
CCC(O)(CC)CNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O CCC(O)(CC)C[*:1] CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N[*:1]
COC(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)OC COC(C[*:1])OC O=C(N[*:1])c1ccc2nc(sc2c1)-n1cccc1
COC(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)OC c1ccn(c1)[*:1] COC(CNC(=O)c1ccc2nc(sc2c1)[*:1])OC
COC(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)OC COC(OC)[*:1] O=C(NC[*:1])c1ccc2nc(sc2c1)-n1cccc1
CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 CCO[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 CC(=O)N[*:1] CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(c1)[*:1]
CNC(=O)[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 FC(F)(F)[*:1] CNC(=O)[C@@H]1CCCN(C1)c1ncc(cc1Cl)[*:1]
CNC(=O)[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 CNC(=O)[*:1] FC(F)(F)c1cnc(c(Cl)c1)N1CCC[C@H](C1)[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)NCCN2CCOCC2)n1 CCc1ccccc1[*:1] O=C(NCCN1CCOCC1)c1nn(cc1[O-])[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)NCCN2CCOCC2)n1 C1CN(CCO1)CC[*:1] CCc1ccccc1-n1cc([O-])c(n1)C(=O)N[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)NCCN2CCOCC2)n1 C1CN(CCO1)C[*:1] CCc1ccccc1-n1cc([O-])c(n1)C(=O)NC[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)NCCN2CCOCC2)n1 C1CN(CCO1)[*:1] CCc1ccccc1-n1cc([O-])c(n1)C(=O)NCC[*:1]
CC(C)[C@@H](C)CC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 CC(C)[C@@H](C)[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)NC(N)=O
CC(C)[C@@H](C)CC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 CC(C)[*:1] C[C@@H](CC(=O)N[C@H](C)c1ccc(cc1)NC(N)=O)[*:1]
CC(C)[C@@H](C)CC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 CC(C)[C@@H](C)C[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)NC(N)=O
CC(C)[C@@H](C)CC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] CC(C)[C@@H](C)CC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CCCNc1nc(-c2cc(Cl)cs2)nc(C)c1CC CCCN[*:1] CCc1c(C)nc(nc1[*:1])-c1cc(Cl)cs1
CCCNc1nc(-c2cc(Cl)cs2)nc(C)c1CC Clc1csc(c1)[*:1] CCCNc1nc(nc(C)c1CC)[*:1]
CCCNc1nc(-c2cc(Cl)cs2)nc(C)c1CC CCC[*:1] CCc1c(C)nc(nc1N[*:1])-c1cc(Cl)cs1
CSc1ncc(C(=O)NCc2cccc(Cl)c2)c(-c2ccccc2)n1 Clc1cccc(c1)C[*:1] CSc1ncc(C(=O)N[*:1])c(n1)-c1ccccc1
CSc1ncc(C(=O)NCc2cccc(Cl)c2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] CSc1ncc(C(=O)NCc2cccc(Cl)c2)c(n1)[*:1]
CSc1ncc(C(=O)NCc2cccc(Cl)c2)c(-c2ccccc2)n1 Clc1cccc(c1)[*:1] CSc1ncc(C(=O)NC[*:1])c(n1)-c1ccccc1
O=C(NCCN1CCOCC1)Nc1ccc2c3c(cccc13)CC2 C1CN(CCO1)[*:1] O=C(NCC[*:1])Nc1ccc2CCc3cccc1c32
O=C(NCCN1CCOCC1)Nc1ccc2c3c(cccc13)CC2 C1CN(CCO1)C[*:1] O=C(NC[*:1])Nc1ccc2CCc3cccc1c32
O=C(NCCN1CCOCC1)Nc1ccc2c3c(cccc13)CC2 C1CN(CCO1)CC[*:1] O=C(Nc1ccc2CCc3cccc1c32)N[*:1]
C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCC3 O=[N+]([O-])c1ccc(cc1)[*:1] C=CCn1c(nc2sc3CCCc3c2c1=O)SCC(=O)N[*:1]
C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCC3 O=[N+]([O-])[*:1] C=CCn1c(nc2sc3CCCc3c2c1=O)SCC(=O)Nc1ccc(cc1)[*:1]
C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCC3 C=CC[*:1] O=C(CSc1nc2sc3CCCc3c2c(=O)n1[*:1])Nc1ccc(cc1)[N+](=O)[O-]
O=C(CC/N=C(\O)c1ncccc1O)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CC/N=C(\O)c1ncccc1O)NCC[*:1]
O=C(CC/N=C(\O)c1ncccc1O)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CC/N=C(\O)c1ncccc1O)NC[*:1]
O=C(CC/N=C(\O)c1ncccc1O)NCCc1ccc(F)cc1 Oc1cccnc1[*:1] O=C(CC/N=C(\O)[*:1])NCCc1ccc(F)cc1
CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCO[C@@H]2C)c1 CNC(=O)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1cc(ccc1Cl)[*:1]
O=C(Nc1cccc(-c2nnco2)c1)N1CCCCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1cccc(c1)-c1nnco1)N1CCCCC[C@H]1[*:1]
O=C(Nc1cccc(-c2nnco2)c1)N1CCCCC[C@@H]1c1ccncc1 c1nnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCCCC[C@@H]1c1ccncc1
Cc1ccccc1NC(=O)C(=O)NCCCc1nc2ccccc2[nH]1 Cc1ccccc1[*:1] O=C(NCCCc1nc2ccccc2[nH]1)C(=O)N[*:1]
C=CCSC1=N[C@@H](c2ccccc2)/C(=C(/[O-])OCC)C(C)=N1 c1ccc(cc1)[*:1] C=CCSC1=N[C@@H](/C(C(C)=N1)=C(/[O-])OCC)[*:1]
C=CCSC1=N[C@@H](c2ccccc2)/C(=C(/[O-])OCC)C(C)=N1 C=CC[*:1] CCO/C([O-])=C1/C(C)=NC(=N[C@H]1c1ccccc1)S[*:1]
C=CCSC1=N[C@@H](c2ccccc2)/C(=C(/[O-])OCC)C(C)=N1 CCO[*:1] C=CCSC1=N[C@H](C(C(C)=N1)=C([O-])[*:1])c1ccccc1
C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C)CC(C)(C)C1 C[C@H]1C[C@H]1[*:1] C[C@@H]1C[C@@H](CC(C)(C)C1)NC(=O)[*:1]
C[C@H](CC1CC1)[NH2+]C[C@H]1CN(C)CCO1 C1CC1[*:1] C[C@H](C[*:1])[NH2+]C[C@H]1CN(C)CCO1
C[C@H](CC1CC1)[NH2+]C[C@H]1CN(C)CCO1 C1CC1C[*:1] C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[*:1]
Cc1cc(=O)c(C(=O)N2CCC[NH+](C(C)C)CC2)nn1-c1ccccc1F CC(C)[*:1] Cc1cc(=O)c(nn1-c1ccccc1F)C(=O)N1CCC[NH+](CC1)[*:1]
Cc1cc(=O)c(C(=O)N2CCC[NH+](C(C)C)CC2)nn1-c1ccccc1F Fc1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)N1CCC[NH+](CC1)C(C)C
CC(=O)C1=C(C)C(C(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C
CC(=O)C1=C(C)C(C(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)=N[C@H]1C c1cc(ccn1)[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)CSc1nnc(n1-c1cccc(Cl)c1C)[*:1]
CC(=O)C1=C(C)C(C(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)=N[C@H]1C Cc1c(Cl)cccc1[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)CSc1nnc(-c2ccncc2)n1[*:1]
Cc1cccc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c1 Cc1cccc(c1)[*:1] CN(C(=O)c1cccc(c1)NC(=O)[*:1])c1ccccc1
Cc1cccc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)N(C)[*:1]
C/C(Cl)=C/Cn1c(N/N=C/c2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C CC(Cl)=C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1Cl)n2C[*:1]
C/C(Cl)=C/Cn1c(N/N=C/c2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C C/C(Cl)=C/C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1Cl)n2[*:1]
C/C(Cl)=C/Cn1c(N/N=C/c2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C Clc1ccccc1[*:1] C/C(Cl)=C/Cn1c(nc2c1c(=O)[nH]c(=O)n2C)NN=C[*:1]
CC[C@@H]1COCCN1Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 COc1ccc(cc1F)[*:1] CC[C@@H]1COCCN1Cc1cn(nc1[*:1])-c1ccccc1C
CC[C@@H]1COCCN1Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 Cc1ccccc1[*:1] CC[C@@H]1COCCN1Cc1cn(nc1-c1ccc(OC)c(F)c1)[*:1]
Cc1ccc(Cn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)Cn1cccc(C(=O)Nc2ccc(cc2)[*:1])c1=O
Cc1ccc(Cn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1cccn(C[*:1])c1=O
Cc1ccc(Cn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1cccc(C(=O)N[*:1])c1=O
Cc1ccc(Cn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1cccn(c1=O)[*:1]
Cc1ccc(/C=C/C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)o1 Cc1ccc(o1)[*:1] O=C(C=C[*:1])OCC(=O)N1CCN(CC1)c1ccccc1
Cc1ccc(/C=C/C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)o1 Cc1ccc(C=C[*:1])o1 O=C(COC(=O)[*:1])N1CCN(CC1)c1ccccc1
Cc1ccc(/C=C/C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)o1 c1ccc(cc1)[*:1] Cc1ccc(/C=C/C(=O)OCC(=O)N2CCN(CC2)[*:1])o1
CCCCCO[C@@H]1CCC[NH2+]C1 CCC[*:1] C1C[NH2+]C[C@@H](C1)OCC[*:1]
CCCCCO[C@@H]1CCC[NH2+]C1 CCCC[*:1] C1C[NH2+]C[C@@H](C1)OC[*:1]
COC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)OC[*:1] COC[C@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
COC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)O[*:1] COC[C@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
COC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 COC[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)C(=O)COc1ccccc1)[*:1]
COC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 COC[C@H](C)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)COc1ccccc1
COC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 COC[C@H](C)NC(=O)[*:1] O=C(COc1ccccc1)N1CCC[C@@H](C1)[*:1]
COC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)[*:1] COC[C@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)CO[*:1]
C/C(=C/C(=O)O[C@@H]1CC[C@H](S(C)(=O)=O)C1)c1ccccc1F Fc1ccccc1[*:1] CC(=CC(=O)O[C@@H]1CC[C@@H](C1)S(C)(=O)=O)[*:1]
C/C(=C/C(=O)O[C@@H]1CC[C@H](S(C)(=O)=O)C1)c1ccccc1F CS(=O)(=O)[*:1] C/C(=C/C(=O)O[C@@H]1CC[C@H](C1)[*:1])c1ccccc1F
CCOc1cccc(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)c1 CCO[*:1] COc1cc(C)c(cc1OC)[C@@H](C)NC(=O)c1cccc(c1)[*:1]
CCC(=O)Nc1cccc(C(=O)Nc2nc(C)cc(C)n2)c1 CCC(=O)N[*:1] Cc1cc(C)nc(n1)NC(=O)c1cccc(c1)[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)COCCc1ccccc1 c1ccc(cc1)CC[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)CO[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)COCCc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)COCC[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)COCCc1ccccc1 COc1ccccc1[*:1] O=C(COCCc1ccccc1)N1CCC[C@H]1[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)COCCc1ccccc1 c1ccc(cc1)C[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)COC[*:1]
Cc1cc(C)cc(NC(=O)N(Cc2ccsc2)C2CC2)c1 c1cc(cs1)C[*:1] Cc1cc(C)cc(c1)NC(=O)N(C1CC1)[*:1]
Cc1cc(C)cc(NC(=O)N(Cc2ccsc2)C2CC2)c1 c1cc(cs1)[*:1] Cc1cc(C)cc(c1)NC(=O)N(C[*:1])C1CC1
Cc1cc(C)cc(NC(=O)N(Cc2ccsc2)C2CC2)c1 C1CC1[*:1] Cc1cc(C)cc(c1)NC(=O)N(Cc1ccsc1)[*:1]
[NH3+]CCC(=O)NCC1CC[NH+](Cc2cccc(F)c2F)CC1 [NH3+]CCC(=O)N[*:1] Fc1cccc(C[NH+]2CCC(CC2)C[*:1])c1F
[NH3+]CCC(=O)NCC1CC[NH+](Cc2cccc(F)c2F)CC1 [NH3+]CC[*:1] O=C(NCC1CC[NH+](CC1)Cc1cccc(F)c1F)[*:1]
[NH3+]CCC(=O)NCC1CC[NH+](Cc2cccc(F)c2F)CC1 [NH3+]CCC(=O)NC[*:1] Fc1cccc(C[NH+]2CCC(CC2)[*:1])c1F
CNS(=O)(=O)c1cc(/C=C/C(=O)N2CCCC2)ccc1OC CNS(=O)(=O)[*:1] COc1ccc(/C=C/C(=O)N2CCCC2)cc1[*:1]
CNS(=O)(=O)c1cc(/C=C/C(=O)N2CCCC2)ccc1OC O=C(N1CCCC1)[*:1] CNS(=O)(=O)c1cc(C=C[*:1])ccc1OC
CC[C@@H](NC(=O)N(C)C[C@@H](C)O)[C@H]1CCCO1 C[C@@H](O)C[*:1] CC[C@@H](NC(=O)N(C)[*:1])[C@H]1CCCO1
CC[C@@H](NC(=O)N(C)C[C@@H](C)O)[C@H]1CCCO1 C[C@@H](O)[*:1] CC[C@@H](NC(=O)N(C)C[*:1])[C@H]1CCCO1
CC[C@@H](NC(=O)N(C)C[C@@H](C)O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC[C@@H](NC(=O)N(C)C[C@@H](C)O)[*:1]
COCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COCC(=O)N1c2ncnn2[C@H](C[C@H]1c1ccc(cc1)OC)[*:1]
COCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COCC(=O)N1c2ncnn2[C@@H](C[C@@H]1[*:1])c1ccc(cc1)OC
COCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)[C@@H]1C[C@@H](c2ccc(cc2)OC)n2ncnc2N1C(=O)[*:1]
C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(F)c([O-])c(F)c2)CC1 C[NH+](C)CCNC(=O)[*:1] [O-]c1c(F)cc(cc1F)C[NH+]1CCC(CC1)[*:1]
C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(F)c([O-])c(F)c2)CC1 C[NH+](C)CC[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1cc(F)c([O-])c(F)c1
CC(=O)NCC(=O)N1CCC[C@H](c2nncn2-c2ccccc2)C1 c1ccc(cc1)[*:1] CC(=O)NCC(=O)N1CCC[C@@H](C1)c1nncn1[*:1]
CC(=O)NCC(=O)N1CCC[C@H](c2nncn2-c2ccccc2)C1 CC(=O)N[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1nncn1-c1ccccc1
CC(=O)NCC(=O)N1CCC[C@H](c2nncn2-c2ccccc2)C1 CC(=O)NC[*:1] O=C(N1CCC[C@@H](C1)c1nncn1-c1ccccc1)[*:1]
CCn1c([C@H](C)[NH2+][C@H](COC)C2CC2)nc2ccccc21 C1CC1[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+][C@H](COC)[*:1]
CCn1c([C@H](C)[NH2+][C@H](COC)C2CC2)nc2ccccc21 COC[*:1] CCn1c(nc2ccccc21)[C@H](C)[NH2+][C@H](C1CC1)[*:1]
c1ccc([C@@H]2C[C@H](NC[C@@H]3CN(C4CC4)CCO3)c3ccccc3O2)cc1 C1CN(C[C@H](O1)[*:1])C1CC1 c1ccc(cc1)[C@@H]1C[C@H](NC[*:1])c2ccccc2O1
c1ccc([C@@H]2C[C@H](NC[C@@H]3CN(C4CC4)CCO3)c3ccccc3O2)cc1 C1CC1[*:1] c1ccc(cc1)[C@@H]1C[C@H](NC[C@@H]2CN(CCO2)[*:1])c2ccccc2O1
c1ccc([C@@H]2C[C@H](NC[C@@H]3CN(C4CC4)CCO3)c3ccccc3O2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)O[C@@H](C[C@@H]2NC[C@@H]1CN(CCO1)C1CC1)[*:1]
Cn1cccc(NC(=O)C[C@H](O)c2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] Cn1cccc(NC(=O)C[C@H](O)[*:1])c1=O
CC(C)CN1CCO[C@H](COC(=O)c2ccc(F)c(F)c2)C1 CC(C)C[*:1] O=C(OC[C@@H]1CN(CCO1)[*:1])c1ccc(F)c(F)c1
CC(C)CN1CCO[C@H](COC(=O)c2ccc(F)c(F)c2)C1 CC(C)[*:1] O=C(OC[C@@H]1CN(CCO1)C[*:1])c1ccc(F)c(F)c1
CCO[C@H](C)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] CCO[C@H](C)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCO[C@H](C)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 CCO[C@H](C)[*:1] O=C(Nc1nccs1)c1ccc(cc1)NC(=O)[*:1]
CCO[C@H](C)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 CCO[*:1] C[C@H](C(=O)Nc1ccc(cc1)C(=O)Nc1nccs1)[*:1]
CCCCc1ccc(NC(=O)Cn2cccc2C=O)cc1 CCCC[*:1] O=Cc1cccn1CC(=O)Nc1ccc(cc1)[*:1]
CCCCc1ccc(NC(=O)Cn2cccc2C=O)cc1 CCC[*:1] O=Cc1cccn1CC(=O)Nc1ccc(cc1)C[*:1]
CCCCc1ccc(NC(=O)Cn2cccc2C=O)cc1 O=Cc1cccn1[*:1] CCCCc1ccc(cc1)NC(=O)C[*:1]
CCO[C@@H]1C[C@@H](N(C)c2ccc(C(=O)NC)n[nH+]2)C1(CC)CC CCO[*:1] CCC1(CC)[C@@H](C[C@H]1[*:1])N(C)c1ccc(n[nH+]1)C(=O)NC
CCO[C@@H]1C[C@@H](N(C)c2ccc(C(=O)NC)n[nH+]2)C1(CC)CC CNC(=O)[*:1] CCO[C@@H]1C[C@@H](N(C)c2ccc(n[nH+]2)[*:1])C1(CC)CC
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1c1cccn1C Cc1ccccc1[*:1] Cn1cccc1[C@H]1CCCCCN1C(=O)[C@H]1C[C@H]1[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1c1cccn1C Cn1cccc1[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@H]1[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(-n2cncn2)cc1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)c1ccc(cc1)-n1cncn1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(cc1)[*:1]
COCC[C@@H](C)NC(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 COCC[*:1] C[C@@H](NC(=O)N[C@@H]1C=C[C@H](C1)C(=O)[O-])[*:1]
COCC[C@@H](C)NC(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] COCC[C@@H](C)NC(=O)N[C@@H]1C=C[C@@H](C1)[*:1]
COCC[C@@H](C)NC(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 COCC[C@@H](C)[*:1] O=C(N[C@@H]1C=C[C@H](C1)C(=O)[O-])N[*:1]
COCC[C@@H](C)NC(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 COC[*:1] C[C@H](C[*:1])NC(=O)N[C@@H]1C=C[C@H](C1)C(=O)[O-]
CC[C@](O)(C(C)C)[C@@]1(C[NH3+])CCOc2ccccc21 CC(C)[*:1] CC[C@](O)([C@@]1(C[NH3+])CCOc2ccccc21)[*:1]
CN1C[C@@]2(CCCN(C(=O)c3cc(=O)n(-c4ccccc4)[nH]3)C2)OC1=O c1ccc(cc1)[*:1] CN1C[C@@]2(CCCN(C2)C(=O)c2cc(=O)n([nH]2)[*:1])OC1=O
O=C(CCn1cc([N+](=O)[O-])cn1)NCC1(O)CCSCC1 O=[N+]([O-])[*:1] O=C(CCn1cc(cn1)[*:1])NCC1(O)CCSCC1
O=C(CCn1cc([N+](=O)[O-])cn1)NCC1(O)CCSCC1 OC1(CCSCC1)[*:1] O=C(CCn1cc(cn1)[N+](=O)[O-])NC[*:1]
O=C(CNC(=O)C(=O)Nc1ccc(Cl)nc1)NCCc1ccccc1 Clc1ccc(cn1)[*:1] O=C(CNC(=O)C(=O)N[*:1])NCCc1ccccc1
O=C(CNC(=O)C(=O)Nc1ccc(Cl)nc1)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)C(=O)Nc1ccc(Cl)nc1)NC[*:1]
O=C(CNC(=O)C(=O)Nc1ccc(Cl)nc1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)C(=O)Nc1ccc(Cl)nc1)NCC[*:1]
O=C(CNC(=O)C(=O)Nc1ccc(Cl)nc1)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(CNC(=O)C(=O)Nc1ccc(Cl)nc1)N[*:1]
CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCN(c2cccc[nH+]2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCN(CC1)c1cccc[nH+]1)[*:1]
CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCN(c2cccc[nH+]2)CC1)c1ccccc1 CCC[*:1] C[C@H](C(=O)N[C@H](c1ccccc1)[*:1])[NH+]1CCN(CC1)c1cccc[nH+]1
CC(=O)c1ccccc1NC(=O)c1ccn(-c2ccccc2F)n1 CC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccn(n1)-c1ccccc1F
CC(=O)c1ccccc1NC(=O)c1ccn(-c2ccccc2F)n1 Fc1ccccc1[*:1] CC(=O)c1ccccc1NC(=O)c1ccn(n1)[*:1]
COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1OCC(=O)N1CCN(CCO)CC1 OCC[*:1] COc1ccccc1OCC(=O)N1CCN(CC1)[*:1]
O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccsc1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1)-c1csc(n1)[*:1])c1ccsc1
O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccsc1 c1cc(cs1)[*:1] O=C(Nc1ccc(cc1)-c1csc(n1)N1CCOCC1)[*:1]
O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccsc1 O=C(N[*:1])c1ccsc1 c1cc(ccc1-c1csc(n1)N1CCOCC1)[*:1]
CC[C@H](Br)C(=O)Nc1cc(C)on1 CC[C@H](Br)[*:1] Cc1cc(no1)NC(=O)[*:1]
C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)[*:1])C(=O)Nc1cccc(Cl)c1
C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)c1ccccc1)C(=O)N[*:1]
O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(N[C@@H]1CCSc2ccccc21)[*:1]
O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)NC(CO)CO FC(F)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)[*:1])NC(CO)CO
O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)NC(CO)CO OCC(CO)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)N[*:1]
CC(=O)N1CCC([NH+](C)Cc2csc(C(C)C)n2)CC1 CC(C)[*:1] CC(=O)N1CCC(CC1)[NH+](C)Cc1csc(n1)[*:1]
COc1cc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C(=O)N(C)CC(=O)Nc1cccc(C)c1C
COc1cc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)ccc1OC(C)C Cc1cccc(c1C)[*:1] COc1cc(ccc1OC(C)C)C(=O)N(C)CC(=O)N[*:1]
COc1cc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C(=O)N(C)CC(=O)Nc1cccc(C)c1C
Clc1ccc2oc(SC3CCCC3)nc2c1 C1CCC(C1)[*:1] Clc1ccc2oc(nc2c1)S[*:1]
COc1cc(-c2onc(C)c2C(=O)NCc2ccc(F)cc2F)cc(OC)c1OC Fc1ccc(C[*:1])c(F)c1 COc1cc(cc(OC)c1OC)-c1onc(C)c1C(=O)N[*:1]
COc1cc(-c2onc(C)c2C(=O)NCc2ccc(F)cc2F)cc(OC)c1OC Fc1ccc(c(F)c1)[*:1] COc1cc(cc(OC)c1OC)-c1onc(C)c1C(=O)NC[*:1]
COc1cccc2cc(C(=O)NC[C@H](O)C3CCCCC3)c(=O)oc12 C1CCC(CC1)[*:1] COc1cccc2cc(C(=O)NC[C@H](O)[*:1])c(=O)oc12
CC[C@@H](C)n1ncc(C(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1C1CC1 CC(C)N(C)C(=O)[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC(CC2)[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC(CC2)C(=O)N(C)C(C)C)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1C1CC1 CC(C)[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC(CC2)C(=O)N(C)[*:1])c1C1CC1
Brc1ccc(-c2cnc(C[NH2+]Cc3cccs3)s2)o1 c1csc(c1)C[*:1] Brc1ccc(o1)-c1cnc(C[NH2+][*:1])s1
Brc1ccc(-c2cnc(C[NH2+]Cc3cccs3)s2)o1 Brc1ccc(o1)[*:1] c1csc(c1)C[NH2+]Cc1ncc(s1)[*:1]
Brc1ccc(-c2cnc(C[NH2+]Cc3cccs3)s2)o1 c1csc(c1)[*:1] Brc1ccc(o1)-c1cnc(C[NH2+]C[*:1])s1
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccccc1Cl O=C([O-])[*:1] O=C(NCc1ccccc1Cl)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1[*:1]
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC[*:1]
COc1cccc(/C=C/C(=O)NCCNC(=O)c2ccco2)c1 c1coc(c1)[*:1] COc1cccc(/C=C/C(=O)NCCNC(=O)[*:1])c1
Cc1cccc(CN(C(=O)Cc2csc(N3CCCC3=O)n2)C2CC2)c1 Cc1cccc(c1)[*:1] O=C1CCCN1c1nc(cs1)CC(=O)N(C[*:1])C1CC1
Cc1cccc(CN(C(=O)Cc2csc(N3CCCC3=O)n2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CN(C(=O)Cc1csc(n1)N1CCCC1=O)[*:1]
Cc1cccc(CN(C(=O)Cc2csc(N3CCCC3=O)n2)C2CC2)c1 Cc1cccc(c1)C[*:1] O=C1CCCN1c1nc(cs1)CC(=O)N(C1CC1)[*:1]
Cc1cccc(CN(C(=O)Cc2csc(N3CCCC3=O)n2)C2CC2)c1 O=C1CCCN1[*:1] Cc1cccc(c1)CN(C(=O)Cc1csc(n1)[*:1])C1CC1
C[C@H]([NH2+][C@H](C)c1ccco1)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]([NH2+][C@H](C)c1ccco1)C(=O)O[*:1]
C[C@H]([NH2+][C@H](C)c1ccco1)C(=O)OC(C)(C)C c1coc(c1)[*:1] C[C@H]([NH2+][C@H](C)[*:1])C(=O)OC(C)(C)C
CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@](C)(CC)C(=O)[O-] O=C([O-])[*:1] CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@](C)(CC)[*:1]
C[C@H](CCC1CCCC1)NC(=O)/C(C#N)=C\c1ccco1 C1CCC(C1)CC[*:1] C[C@H](NC(=O)/C(C#N)=C\c1ccco1)[*:1]
C[C@H](CCC1CCCC1)NC(=O)/C(C#N)=C\c1ccco1 c1coc(c1)[*:1] C[C@H](CCC1CCCC1)NC(=O)C(C#N)=C[*:1]
C[C@H](CCC1CCCC1)NC(=O)/C(C#N)=C\c1ccco1 C1CCC(C1)[*:1] C[C@H](CC[*:1])NC(=O)/C(C#N)=C\c1ccco1
C[C@H](CCC1CCCC1)NC(=O)/C(C#N)=C\c1ccco1 C1CCC(C1)C[*:1] C[C@H](C[*:1])NC(=O)/C(C#N)=C\c1ccco1
CC[NH2+][C@@H](C)[C@@H](C)c1nc([C@@H]2CSCCO2)no1 C1CSC[C@H](O1)[*:1] CC[NH2+][C@@H](C)[C@@H](C)c1nc(no1)[*:1]
Cc1nonc1[C@@H]1CCCN1C(=O)c1cn(-c2ccccc2)nn1 Cc1nonc1[*:1] O=C(c1cn(nn1)-c1ccccc1)N1CCC[C@H]1[*:1]
Cc1nonc1[C@@H]1CCCN1C(=O)c1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] Cc1nonc1[C@@H]1CCCN1C(=O)c1cn(nn1)[*:1]
COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)[*:1]
COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc2cc(CN(C(=O)[*:1])C3CCCCC3)c(=O)[nH]c2c1
CC(=O)Nc1ccc(F)c(NCC(=O)NCc2cccc(Cl)c2)c1 CC(=O)N[*:1] O=C(CNc1cc(ccc1F)[*:1])NCc1cccc(Cl)c1
CC(=O)Nc1ccc(F)c(NCC(=O)NCc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CC(=O)Nc1ccc(F)c(c1)NCC(=O)NC[*:1]
CC(=O)Nc1ccc(F)c(NCC(=O)NCc2cccc(Cl)c2)c1 Clc1cccc(c1)C[*:1] CC(=O)Nc1ccc(F)c(c1)NCC(=O)N[*:1]
CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)c(OC)c1 CCOC(=O)[*:1] COc1cc(ccc1O)[C@H]1c2c(O[C@@H]1[*:1])c1ccccc1oc2=O
CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)c(OC)c1 COc1cc(ccc1O)[*:1] CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1[*:1]
O=C(Cc1cccs1)Nc1ccnn1Cc1ccccc1Br c1csc(c1)C[*:1] O=C(Nc1ccnn1Cc1ccccc1Br)[*:1]
O=C(Cc1cccs1)Nc1ccnn1Cc1ccccc1Br c1csc(c1)[*:1] O=C(C[*:1])Nc1ccnn1Cc1ccccc1Br
O=C(Cc1cccs1)Nc1ccnn1Cc1ccccc1Br Brc1ccccc1[*:1] O=C(Cc1cccs1)Nc1ccnn1C[*:1]
O=C(CC[C@@H]1NC(=O)NC1=O)NCCc1noc(C2CCCC2)n1 C1CCC(C1)[*:1] O=C(CC[C@@H]1NC(=O)NC1=O)NCCc1noc(n1)[*:1]
Cc1ccc(-[n+]2noc([O-])c2C[NH2+]Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-[n+]1noc([O-])c1C[NH2+]C[*:1]
Cc1ccc(-[n+]2noc([O-])c2C[NH2+]Cc2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] [O-]c1on[n+](c1C[NH2+]Cc1ccc(F)cc1)[*:1]
COc1ccc2nc(SCc3ccc(-n4cccn4)cc3)[nH]c2c1 c1cnn(c1)[*:1] COc1ccc2nc([nH]c2c1)SCc1ccc(cc1)[*:1]
Cc1cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)on1 O=C([O-])[*:1] Cc1cc(NC(=O)[C@@H]2[C@@H](C2(C)C)[*:1])on1
CC[C@@H](c1nc(-c2cccnn2)no1)n1cccn1 c1cnnc(c1)[*:1] CC[C@@H](c1nc(no1)[*:1])n1cccn1
CC[C@@H](c1nc(-c2cccnn2)no1)n1cccn1 c1cnn(c1)[*:1] CC[C@@H](c1nc(no1)-c1cccnn1)[*:1]
OCC[NH+](Cc1ccccc1)Cc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] OCC[NH+](Cc1ccccc1)Cc1nc(no1)[*:1]
OCC[NH+](Cc1ccccc1)Cc1nc(-c2ccc(Cl)cc2)no1 c1ccc(cc1)C[*:1] OCC[NH+](Cc1nc(no1)-c1ccc(Cl)cc1)[*:1]
OCC[NH+](Cc1ccccc1)Cc1nc(-c2ccc(Cl)cc2)no1 c1ccc(cc1)[*:1] OCC[NH+](Cc1nc(no1)-c1ccc(Cl)cc1)C[*:1]
CCOC(=O)/C=C/COc1ccc([N+](=O)[O-])cc1F CCOC(=O)[*:1] O=[N+]([O-])c1ccc(OCC=C[*:1])c(F)c1
CCOC(=O)/C=C/COc1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] CCOC(=O)/C=C/COc1ccc(cc1F)[*:1]
CC(C)[C@H](C[NH2+][C@H](C)c1ccoc1)[NH+](C)C c1cc(co1)[*:1] CC(C)[C@H](C[NH2+][C@H](C)[*:1])[NH+](C)C
CC(C)[C@H](C[NH2+][C@H](C)c1ccoc1)[NH+](C)C CC(C)[*:1] C[C@@H]([NH2+]C[C@H]([NH+](C)C)[*:1])c1ccoc1
C=C1c2ccccc2C(=O)N1CC(=O)NC[C@@H](O)c1ccccc1Cl Clc1ccccc1[*:1] C=C1c2ccccc2C(=O)N1CC(=O)NC[C@@H](O)[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)Cc2cccc(O)c2)C1 COC(=O)[*:1] O=C(Cc1cccc(O)c1)N1CC[C@](F)(C1)[*:1]
O=c1c2ccccc2nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1Cc1ccco1 Clc1ccc(cc1)[*:1] O=c1c2ccccc2nc(SCc2nnc(o2)[*:1])n1Cc1ccco1
O=c1c2ccccc2nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1Cc1ccco1 c1coc(c1)[*:1] O=c1c2ccccc2nc(SCc2nnc(o2)-c2ccc(Cl)cc2)n1C[*:1]
O=c1c2ccccc2nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1Cc1ccco1 c1coc(c1)C[*:1] O=c1c2ccccc2nc(SCc2nnc(o2)-c2ccc(Cl)cc2)n1[*:1]
NC(=O)COCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 NC(=O)C[*:1] O=C(NCCO[*:1])[C@@H]1C[C@@H]1c1ccc(Br)cc1
NC(=O)COCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 NC(=O)[*:1] O=C(NCCOC[*:1])[C@@H]1C[C@@H]1c1ccc(Br)cc1
NC(=O)COCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 NC(=O)CO[*:1] O=C(NCC[*:1])[C@@H]1C[C@@H]1c1ccc(Br)cc1
NC(=O)COCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 NC(=O)COC[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1ccc(Br)cc1
CC[C@H](CSC)N(C)C(=O)NCC1(c2c(F)cccc2F)CC1 CSC[*:1] CC[C@H](N(C)C(=O)NCC1(CC1)c1c(F)cccc1F)[*:1]
CC[C@H](NS(=O)(=O)c1sc2c(c1C(=O)[O-])CC[NH2+]C2)c1cccnc1 c1cncc(c1)[*:1] CC[C@H](NS(=O)(=O)c1sc2C[NH2+]CCc2c1C(=O)[O-])[*:1]
CC[C@H](NS(=O)(=O)c1sc2c(c1C(=O)[O-])CC[NH2+]C2)c1cccnc1 O=C([O-])[*:1] CC[C@H](NS(=O)(=O)c1sc2C[NH2+]CCc2c1[*:1])c1cccnc1
Cc1noc(Cl)c1CCC(=O)OC[C@@H]1CC(=O)N(C2CC2)C1 Cc1noc(Cl)c1[*:1] O=C(CC[*:1])OC[C@@H]1CC(=O)N(C1)C1CC1
Cc1noc(Cl)c1CCC(=O)OC[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] Cc1noc(Cl)c1CCC(=O)OC[C@@H]1CC(=O)N(C1)[*:1]
COc1cccc(C[C@@H](C(=O)NC[C@@H]2CCOC2)n2nnnc2C)c1 C1C[C@H](CO1)C[*:1] COc1cccc(c1)C[C@@H](C(=O)N[*:1])n1nnnc1C
COc1cccc(C[C@@H](C(=O)NC[C@@H]2CCOC2)n2nnnc2C)c1 C1C[C@H](CO1)[*:1] COc1cccc(c1)C[C@@H](C(=O)NC[*:1])n1nnnc1C
COc1cccc(C[C@@H](C(=O)NC[C@@H]2CCOC2)n2nnnc2C)c1 COc1cccc(c1)[*:1] Cc1nnnn1[C@@H](C[*:1])C(=O)NC[C@@H]1CCOC1
COc1cccc(C[C@@H](C(=O)NC[C@@H]2CCOC2)n2nnnc2C)c1 Cc1nnnn1[*:1] COc1cccc(c1)C[C@@H](C(=O)NC[C@@H]1CCOC1)[*:1]
COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(Cl)c4C)c(C)c32)c1 Cc1c(Cl)cccc1[*:1] COc1cccc(c1)C(=O)N/N=C1\CCCc2oc(C(=O)N[*:1])c(C)c21
COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(Cl)c4C)c(C)c32)c1 Cc1c(Cl)cccc1NC(=O)[*:1] COc1cccc(c1)C(=O)N/N=C1\CCCc2oc(c(C)c21)[*:1]
COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cccc(Cl)c4C)c(C)c32)c1 COc1cccc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
Cc1ccc2c(c1)CCCN2C(=O)Cc1csc(Nc2ncccn2)n1 c1cnc(nc1)N[*:1] Cc1ccc2c(c1)CCCN2C(=O)Cc1csc(n1)[*:1]
Cc1ccc2c(c1)CCCN2C(=O)Cc1csc(Nc2ncccn2)n1 c1cnc(nc1)[*:1] Cc1ccc2c(c1)CCCN2C(=O)Cc1csc(n1)N[*:1]
Cc1cc(C)cc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 Clc1ccc(Cl)c(c1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@H](C)NS(=O)(=O)[*:1]
Cc1cc(C)cc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[*:1]
COc1cc(C(=O)N(C)C)ccc1NC(=O)N(C1CCCC1)C1CC1 C1CC1[*:1] COc1cc(ccc1NC(=O)N(C1CCCC1)[*:1])C(=O)N(C)C
COc1cc(C(=O)N(C)C)ccc1NC(=O)N(C1CCCC1)C1CC1 C1CCC(C1)[*:1] COc1cc(ccc1NC(=O)N(C1CC1)[*:1])C(=O)N(C)C
COc1cc(C(=O)N(C)C)ccc1NC(=O)N(C1CCCC1)C1CC1 CN(C)C(=O)[*:1] COc1cc(ccc1NC(=O)N(C1CCCC1)C1CC1)[*:1]
Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@H]1C(N)=O NC(=O)[*:1] Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1[*:1]
CCOC(=O)Nc1cccc(C(=O)Nc2cccc(Br)c2)c1 CCOC(=O)N[*:1] O=C(Nc1cccc(Br)c1)c1cccc(c1)[*:1]
CCOC(=O)Nc1cccc(C(=O)Nc2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] CCOC(=O)Nc1cccc(c1)C(=O)N[*:1]
CCCCOC(=O)CSc1nccn1C CCCC[*:1] Cn1ccnc1SCC(=O)O[*:1]
CCCCOC(=O)CSc1nccn1C CCC[*:1] Cn1ccnc1SCC(=O)OC[*:1]
CC(C)c1cc2ccccc2[nH+]c1N CC(C)[*:1] Nc1[nH+]c2ccccc2cc1[*:1]
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC CCO[*:1] CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1[*:1]
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC CCO[*:1] CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1[*:1]
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC Cc1ccc(c(C)c1)[*:1] CCOc1ccc(/C=C(/C#N)C(=O)N[*:1])cc1OCC
[NH3+]CC#Cc1ccc(NC(=O)C[C@@H]2CCCCO2)cc1F C1CC[C@@H](C[*:1])OC1 [NH3+]CC#Cc1ccc(cc1F)NC(=O)[*:1]
[NH3+]CC#Cc1ccc(NC(=O)C[C@@H]2CCCCO2)cc1F C1CC[C@H](OC1)[*:1] [NH3+]CC#Cc1ccc(cc1F)NC(=O)C[*:1]
CC[C@@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1cn(C)nc1C CC[C@@H](C)[C@@H](C)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N[*:1]
CC[C@@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1cn(C)nc1C CC[C@@H](C)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N[C@H](C)[*:1]
C[C@H](OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCO1 O=[N+]([O-])[*:1] C[C@H](OC(=O)c1ccn(n1)-c1cccc(c1)[*:1])[C@@H]1CCCO1
Cn1cccc1C(=O)NNC(=O)c1cc2ccccc2cc1OC(F)F FC(F)O[*:1] Cn1cccc1C(=O)NNC(=O)c1cc2ccccc2cc1[*:1]
Cn1cccc1C(=O)NNC(=O)c1cc2ccccc2cc1OC(F)F FC(F)[*:1] Cn1cccc1C(=O)NNC(=O)c1cc2ccccc2cc1O[*:1]
Cn1cccc1C(=O)NNC(=O)c1cc2ccccc2cc1OC(F)F Cn1cccc1[*:1] O=C(NNC(=O)[*:1])c1cc2ccccc2cc1OC(F)F
COc1ccc(O[C@H](C)CNC(=O)c2ncoc2[C@H]2CCCO2)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)O[*:1]
C[C@H](NC(=O)NNc1ncccn1)c1cccc(N2CCCC2)c1 c1cnc(nc1)[*:1] C[C@H](NC(=O)NN[*:1])c1cccc(c1)N1CCCC1
C[C@H](NC(=O)NNc1ncccn1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H](NC(=O)NNc1ncccn1)c1cccc(c1)[*:1]
C=CCNc1c(C(=O)OC)c(=O)[nH]c2c(Cl)cccc12 C=CCN[*:1] COC(=O)c1c(c2cccc(Cl)c2[nH]c1=O)[*:1]
C=CCNc1c(C(=O)OC)c(=O)[nH]c2c(Cl)cccc12 C=CC[*:1] COC(=O)c1c(N[*:1])c2cccc(Cl)c2[nH]c1=O
C=CCNc1c(C(=O)OC)c(=O)[nH]c2c(Cl)cccc12 COC(=O)[*:1] C=CCNc1c(c(=O)[nH]c2c(Cl)cccc12)[*:1]
Cc1ccc2oc(C(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc2c1 c1ccc(cc1)[*:1] Cc1ccc2oc(cc2c1)C(=O)NN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 C1CCC(C1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2ccncc2)n(n1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 c1cc(ccn1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(n(n1)C1CCCC1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)NCc1cc(-c2ccncc2)n(n1)C1CCCC1)[*:1]
C[NH2+][C@H](CSc1ccccc1Cl)C1CCOCC1 C1CC(CCO1)[*:1] C[NH2+][C@H](CSc1ccccc1Cl)[*:1]
CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)[C@@H](O)[C@H]1COCC(=O)N1[*:1]
CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)[C@@H](O)[C@H]1COCC(=O)N1C[*:1]
CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1 CC(=O)N[*:1] O=C1COC[C@H]([C@H](O)c2ccc(cc2)[*:1])N1Cc1ccc(F)cc1
COc1cccc([C@H](CO)NC(=O)c2ccccc2O)c1 Oc1ccccc1[*:1] COc1cccc(c1)[C@H](CO)NC(=O)[*:1]
CC(C)(CNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)c1ccncc1 NC(=O)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccc(c(F)c1)[*:1])c1ccncc1
CC(C)(CNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)[*:1]
CCOCc1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1 c1ccc(cc1)[*:1] CCOCc1ccc(cc1)NC(=O)Cc1nc(oc1C)[*:1]
CCOCc1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1 CCO[*:1] Cc1oc(nc1CC(=O)Nc1ccc(cc1)C[*:1])-c1ccccc1
CCOCc1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1 CCOC[*:1] Cc1oc(nc1CC(=O)Nc1ccc(cc1)[*:1])-c1ccccc1
CNC(=O)CNC(=O)CNC(=O)c1cc2ccccn2n1 CNC(=O)C[*:1] O=C(CNC(=O)c1cc2ccccn2n1)N[*:1]
CNC(=O)CNC(=O)CNC(=O)c1cc2ccccn2n1 CNC(=O)[*:1] O=C(CNC(=O)c1cc2ccccn2n1)NC[*:1]
Cc1nnc(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)s1 CC(C)[*:1] Cc1nnc(S[C@@H](C(=O)N2CCCc3ccccc32)[*:1])s1
Cc1nnc(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)s1 Cc1nnc(S[*:1])s1 CC(C)[C@H](C(=O)N1CCCc2ccccc21)[*:1]
Cc1nnc(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)s1 Cc1nnc(s1)[*:1] CC(C)[C@@H](S[*:1])C(=O)N1CCCc2ccccc21
Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)N1CCN(S(C)(=O)=O)CC1 C[C@H](S[*:1])c1ccccc1 Cc1nc([nH]c(=O)c1CC(=O)N1CCN(CC1)S(C)(=O)=O)[*:1]
Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)N1CCN(S(C)(=O)=O)CC1 C[C@@H](c1ccccc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N1CCN(CC1)S(C)(=O)=O)S[*:1]
Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)N1CCN(S(C)(=O)=O)CC1 c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N1CCN(CC1)S(C)(=O)=O)S[C@@H](C)[*:1]
COc1ccc(CNC(=O)N[C@H](C)[C@H]2CCCO2)c(OC2CCCC2)c1 C1CCC(C1)[*:1] COc1ccc(CNC(=O)N[C@H](C)[C@H]2CCCO2)c(c1)O[*:1]
COc1ccc(CNC(=O)N[C@H](C)[C@H]2CCCO2)c(OC2CCCC2)c1 C1CCC(C1)O[*:1] COc1ccc(CNC(=O)N[C@H](C)[C@H]2CCCO2)c(c1)[*:1]
CC(C)c1nncn1CCNC(=O)COc1cc(F)ccc1F CC(C)[*:1] O=C(COc1cc(F)ccc1F)NCCn1cnnc1[*:1]
O=C(Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1cc(Cl)cc(Cl)c1
O=C(Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1 Clc1cc(Cl)cc(c1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])c1ccccc1
CC[C@H](C)Oc1cccc(C(N)=O)c1 CC[C@H](C)[*:1] NC(=O)c1cccc(c1)O[*:1]
CC[C@H](C)Oc1cccc(C(N)=O)c1 NC(=O)[*:1] CC[C@H](C)Oc1cccc(c1)[*:1]
COc1ccc(CSc2ncccc2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)CSc1ncccc1[*:1]
CC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1F CC[C@@H](C)[*:1] O=S(=O)(N[*:1])c1ccc(Cl)cc1F
Cc1cc(NC(=O)C(=O)NC[C@H](O)c2ccccc2Cl)ccc1F Clc1ccccc1[*:1] Cc1cc(ccc1F)NC(=O)C(=O)NC[C@H](O)[*:1]
Cc1cc(NC(=O)C(=O)NC[C@H](O)c2ccccc2Cl)ccc1F Cc1cc(ccc1F)[*:1] O=C(NC[C@H](O)c1ccccc1Cl)C(=O)N[*:1]
c1ccc(CCC[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 c1cn(cn1)[*:1] c1ccc(cc1)CCC[NH2+]Cc1ccc(cc1)[*:1]
c1ccc(CCC[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 c1ccc(cc1)C[*:1] c1cn(cn1)-c1ccc(cc1)C[NH2+]CC[*:1]
c1ccc(CCC[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 c1ccc(cc1)[*:1] c1cn(cn1)-c1ccc(cc1)C[NH2+]CCC[*:1]
Cc1cccc(N2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc34)CC2)c1 Cc1cccc(c1)[*:1] N#Cc1cnc2ccc(cc2c1N1CCN(CC1)[*:1])OC(F)F
Cc1cccc(N2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc34)CC2)c1 FC(F)[*:1] Cc1cccc(c1)N1CCN(CC1)c1c(C#N)cnc2ccc(cc12)O[*:1]
Cc1cccc(N2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc34)CC2)c1 FC(F)O[*:1] Cc1cccc(c1)N1CCN(CC1)c1c(C#N)cnc2ccc(cc12)[*:1]
O=C([O-])[C@H]1CC[C@@H](CNc2cccc(F)c2[N+](=O)[O-])O1 O=[N+]([O-])[*:1] O=C([O-])[C@H]1CC[C@@H](CNc2cccc(F)c2[*:1])O1
O=C([O-])[C@H]1CC[C@@H](CNc2cccc(F)c2[N+](=O)[O-])O1 O=C([O-])[*:1] O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CC[C@@H](O1)[*:1]
Cc1ccc([C@H](NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](NC(=O)CCS(=O)(=O)c1ccc(C)cc1)[*:1]
Cc1ccc([C@H](NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](NC(=O)CCS(=O)(=O)[*:1])c1ccccc1
Cc1ccc([C@H](NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)CCC(=O)N[C@H](c1ccccc1)[*:1]
CC(C)(C)OCC[C@@H]1CCC[C@]1([NH2+]C1CC1)C(=O)[O-] CC(C)(C)OC[*:1] O=C([O-])[C@]1(CCC[C@H]1C[*:1])[NH2+]C1CC1
CC(C)(C)OCC[C@@H]1CCC[C@]1([NH2+]C1CC1)C(=O)[O-] C1CC1[*:1] CC(C)(C)OCC[C@@H]1CCC[C@]1([NH2+][*:1])C(=O)[O-]
CC(C)(C)OCC[C@@H]1CCC[C@]1([NH2+]C1CC1)C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OCC[C@@H]1CCC[C@@]1([NH2+]C1CC1)[*:1]
CC(C)(C)OCC[C@@H]1CCC[C@]1([NH2+]C1CC1)C(=O)[O-] CC(C)(C)O[*:1] O=C([O-])[C@]1(CCC[C@H]1CC[*:1])[NH2+]C1CC1
CC(C)(C)OCC[C@@H]1CCC[C@]1([NH2+]C1CC1)C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@]1(CCC[C@H]1CCO[*:1])[NH2+]C1CC1
C[C@H]1CN(C(=O)CCC(=O)NCCN2CCOCC2)c2ccccc2S1 C1CN(CCO1)CC[*:1] C[C@H]1CN(C(=O)CCC(=O)N[*:1])c2ccccc2S1
C[C@H]1CN(C(=O)CCC(=O)NCCN2CCOCC2)c2ccccc2S1 C1CN(CCO1)C[*:1] C[C@H]1CN(C(=O)CCC(=O)NC[*:1])c2ccccc2S1
C[C@H]1CN(C(=O)CCC(=O)NCCN2CCOCC2)c2ccccc2S1 C1CN(CCO1)[*:1] C[C@H]1CN(C(=O)CCC(=O)NCC[*:1])c2ccccc2S1
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C)o2)C12CCC2 Cc1ccc(o1)[*:1] CCO[C@@H]1C[C@H](NC(=O)NNC(=O)[*:1])C12CCC2
CCO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(C)o2)C12CCC2 CCO[*:1] Cc1ccc(o1)C(=O)NNC(=O)N[C@H]1C[C@H](C12CCC2)[*:1]
COc1ncccc1CNC(=O)NCCSc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ncccc1CNC(=O)NCCS[*:1]
O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1C[*:1]
O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1[*:1]
C[C@@H](Cn1cccn1)C(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 c1ccc(nc1)[*:1] C[C@@H](Cn1cccn1)C(=O)N1CCc2c(C1)nc([nH]c2=O)[*:1]
C[C@@H](Cn1cccn1)C(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 c1cnn(c1)[*:1] C[C@@H](C[*:1])C(=O)N1CCc2c(C1)nc([nH]c2=O)-c1ccccn1
C[C@@H](Cn1cccn1)C(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 c1cnn(c1)C[*:1] C[C@@H](C(=O)N1CCc2c(C1)nc([nH]c2=O)-c1ccccn1)[*:1]
Cc1ccc(F)cc1NC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 Cc1ccc(F)cc1[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
CC(=O)N[C@H](C)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 C1CC1[*:1] CC(=O)N[C@H](C)C(=O)N[C@H](c1ccc(C)cc1)[*:1]
CC(=O)N[C@H](C)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 CC(=O)N[C@H](C)[*:1] Cc1ccc(cc1)[C@@H](NC(=O)[*:1])C1CC1
CC(=O)N[C@H](C)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](NC(=O)[C@@H](C)[*:1])C1CC1
CCC[C@@H]1C[NH2+]CC[C@@H]1c1ccc2ccccc2c1 CCC[*:1] c1ccc2cc(ccc2c1)[C@H]1CC[NH2+]C[C@H]1[*:1]
Cn1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2c1NC(=O)C[C@H]2c1ccco1 c1coc(c1)[*:1] Cn1nc(NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])c2c1NC(=O)C[C@@H]2[*:1]
Cn1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2c1NC(=O)C[C@H]2c1ccco1 O=[N+]([O-])[*:1] Cn1nc(NC(=O)c2ccc(Cl)c(c2)[*:1])c2c1NC(=O)C[C@H]2c1ccco1
Cc1nc(CN2CCC[NH2+][C@@H](CC(C)C)C2)sc1C CC(C)C[*:1] Cc1nc(CN2CCC[NH2+][C@@H](C2)[*:1])sc1C
Cc1nc(CN2CCC[NH2+][C@@H](CC(C)C)C2)sc1C CC(C)[*:1] Cc1nc(CN2CCC[NH2+][C@H](C2)C[*:1])sc1C
N#Cc1ccc(Cl)c(NCc2nccn2CC(F)(F)F)c1 FC(F)(F)C[*:1] N#Cc1ccc(Cl)c(c1)NCc1nccn1[*:1]
N#Cc1ccc(Cl)c(NCc2nccn2CC(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1ccc(Cl)c(c1)NCc1nccn1C[*:1]
COc1ccc(F)c(NCc2cc(C(N)=O)cs2)c1 NC(=O)[*:1] COc1ccc(F)c(c1)NCc1cc(cs1)[*:1]
CCOc1cc2c(cc1NC(=O)COc1ccccc1F)O[C@H](C)C2 Fc1ccccc1O[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)C[*:1]
CCOc1cc2c(cc1NC(=O)COc1ccccc1F)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)NC(=O)COc1ccccc1F)[*:1]
CCOc1cc2c(cc1NC(=O)COc1ccccc1F)O[C@H](C)C2 Fc1ccccc1[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)CO[*:1]
Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cccc1OCC(F)(F)F FC(F)(F)CO[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C
Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cccc1OCC(F)(F)F FC(F)(F)C[*:1] Cc1c(cccc1O[*:1])NC(=O)C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C
Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cccc1OCC(F)(F)F FC(F)(F)[*:1] Cc1c(cccc1OC[*:1])NC(=O)C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C
CC(C)(C)SCc1nc2c([nH]1)CCCNC2=O CC(C)(C)[*:1] O=C1NCCCc2[nH]c(CS[*:1])nc21
CC(C)(C)SCc1nc2c([nH]1)CCCNC2=O CC(C)(C)S[*:1] O=C1NCCCc2[nH]c(C[*:1])nc21
COc1ccc(CN2CCN(C(=O)c3cc(C)sc3C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCN(CC2)C[*:1])c(C)s1
COc1ccc(CN2CCN(C(=O)c3cc(C)sc3C)CC2)cc1 Cc1cc(c(C)s1)[*:1] COc1ccc(cc1)CN1CCN(CC1)C(=O)[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cnc(N(C)C)nc2C)C1 CN(C)[*:1] COCCn1cc[nH+]c1[C@@H]1CCCN(C1)C(=O)c1cnc(nc1C)[*:1]
COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cnc(N(C)C)nc2C)C1 COCC[*:1] Cc1nc(ncc1C(=O)N1CCC[C@H](C1)c1[nH+]ccn1[*:1])N(C)C
COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cnc(N(C)C)nc2C)C1 COC[*:1] Cc1nc(ncc1C(=O)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1])N(C)C
COc1cccc([C@H](C)CC(=O)OC[C@@H]2CCCCO2)c1 C1CC[C@@H](C[*:1])OC1 COc1cccc(c1)[C@H](C)CC(=O)O[*:1]
COc1cccc([C@H](C)CC(=O)OC[C@@H]2CCCCO2)c1 C1CC[C@H](OC1)[*:1] COc1cccc(c1)[C@H](C)CC(=O)OC[*:1]
COc1ccccc1N1CCN([C@H](c2nnnn2C2CCCC2)C(C)C)CC1 C1CCC(C1)[*:1] COc1ccccc1N1CCN(CC1)[C@H](c1nnnn1[*:1])C(C)C
COc1ccccc1N1CCN([C@H](c2nnnn2C2CCCC2)C(C)C)CC1 CC(C)[*:1] COc1ccccc1N1CCN(CC1)[C@H](c1nnnn1C1CCCC1)[*:1]
COc1ccccc1N1CCN([C@H](c2nnnn2C2CCCC2)C(C)C)CC1 COc1ccccc1[*:1] CC(C)[C@@H](c1nnnn1C1CCCC1)N1CCN(CC1)[*:1]
Cc1ccc(N2C(=O)[C@@H]([C@H]3NCCC4=c5ccccc5=[NH+][C@@H]43)[C@H](O)N[C@@H]2O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1[C@H]([C@H](O)N[C@H](O)N1[*:1])[C@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
COCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 O=C(NC1CCCCCC1)[*:1] COCCCN1C(=O)c2nc3ccccc3n2C[C@@]1(C)[*:1]
COCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 COC[*:1] C[C@@]1(Cn2c(nc3ccccc32)C(=O)N1CC[*:1])C(=O)NC1CCCCCC1
COCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 COCCC[*:1] C[C@@]1(Cn2c(nc3ccccc32)C(=O)N1[*:1])C(=O)NC1CCCCCC1
COCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] COCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)N[*:1]
COCCCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 COCC[*:1] C[C@@]1(Cn2c(nc3ccccc32)C(=O)N1C[*:1])C(=O)NC1CCCCCC1
Cc1ccnc(-c2ccc(NCc3nccn3Cc3ccccc3)cc2)n1 Cc1ccnc(n1)[*:1] c1ccc(cc1)Cn1ccnc1CNc1ccc(cc1)[*:1]
Cc1ccnc(-c2ccc(NCc3nccn3Cc3ccccc3)cc2)n1 c1ccc(cc1)C[*:1] Cc1ccnc(n1)-c1ccc(cc1)NCc1nccn1[*:1]
Cc1ccnc(-c2ccc(NCc3nccn3Cc3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1ccnc(n1)-c1ccc(cc1)NCc1nccn1C[*:1]
NC1=[NH+]C[C@@H](C2CC2)N1Cc1ccccc1 C1CC1[*:1] NC1=[NH+]C[C@@H](N1Cc1ccccc1)[*:1]
c1cncc(COc2ccc(-c3noc([C@@H]4C[C@H]5CC[C@@H]4O5)n3)cc2)c1 c1cncc(c1)CO[*:1] c1cc(ccc1-c1noc(n1)[C@@H]1C[C@H]2CC[C@@H]1O2)[*:1]
c1cncc(COc2ccc(-c3noc([C@@H]4C[C@H]5CC[C@@H]4O5)n3)cc2)c1 c1cncc(c1)C[*:1] c1cc(ccc1O[*:1])-c1noc(n1)[C@@H]1C[C@H]2CC[C@@H]1O2
c1cncc(COc2ccc(-c3noc([C@@H]4C[C@H]5CC[C@@H]4O5)n3)cc2)c1 c1cncc(c1)[*:1] c1cc(ccc1OC[*:1])-c1noc(n1)[C@@H]1C[C@H]2CC[C@@H]1O2
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1[*:1]
CCN(CC(=O)NC)c1nc(Br)cs1 CNC(=O)[*:1] CCN(C[*:1])c1nc(Br)cs1
CCOc1c(F)cccc1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 CCO[*:1] O=C(c1cccc(F)c1[*:1])N1CCO[C@H](C1)c1ccccc1Cl
CCOc1c(F)cccc1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 Clc1ccccc1[*:1] CCOc1c(F)cccc1C(=O)N1CCO[C@@H](C1)[*:1]
CSc1n[nH]c(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)n1 CSc1n[nH]c(n1)[*:1] O=c1c2cc3c(=O)n(ccc3nc2ccn1C[C@H]1CCCO1)[*:1]
CSc1n[nH]c(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)n1 C1CO[C@H](C1)C[*:1] CSc1n[nH]c(n1)-n1ccc2nc3ccn(c(=O)c3cc2c1=O)[*:1]
O=S(=O)(/N=C([O-])/C=C/c1cccs1)c1ccc(Cl)cc1 c1csc(c1)[*:1] O=S(=O)(/N=C(\[O-])C=C[*:1])c1ccc(Cl)cc1
CCOc1ccc(C(F)(F)F)cc1NC(=O)NCCn1c(C)nc2ccccc21 CCO[*:1] Cc1nc2ccccc2n1CCNC(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CCOc1ccc(C(F)(F)F)cc1NC(=O)NCCn1c(C)nc2ccccc21 FC(F)(F)[*:1] CCOc1ccc(cc1NC(=O)NCCn1c(C)nc2ccccc21)[*:1]
Cc1nc(C(F)(F)F)c(C(=O)[O-])s1 FC(F)(F)[*:1] Cc1nc(c(s1)C(=O)[O-])[*:1]
Cc1nc(C(F)(F)F)c(C(=O)[O-])s1 O=C([O-])[*:1] Cc1nc(c(s1)[*:1])C(F)(F)F
C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 C[C@H](O)[*:1] C[C@H]([NH2+]CC(C)(C)C[*:1])c1ccc2OCCOc2c1
C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 C[C@H](O)C[*:1] C[C@H]([NH2+]CC(C)(C)[*:1])c1ccc2OCCOc2c1
N#C[C@H]1CN(C(=O)CNc2ccccc2)CCO1 c1ccc(cc1)[*:1] N#C[C@H]1CN(CCO1)C(=O)CN[*:1]
Cc1c(C(=O)NCCNC(=O)c2ccccc2O)cnn1C(C)C Oc1ccccc1[*:1] Cc1c(cnn1C(C)C)C(=O)NCCNC(=O)[*:1]
Cc1c(C(=O)NCCNC(=O)c2ccccc2O)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NCCNC(=O)c1ccccc1O
CC(C)c1nccn1Cc1cccc(NC(=O)N[C@@](C)(CO)C2CCCCC2)c1 CC(C)c1nccn1C[*:1] C[C@@](CO)(NC(=O)Nc1cccc(c1)[*:1])C1CCCCC1
CC(C)c1nccn1Cc1cccc(NC(=O)N[C@@](C)(CO)C2CCCCC2)c1 CC(C)[*:1] C[C@@](CO)(NC(=O)Nc1cccc(c1)Cn1ccnc1[*:1])C1CCCCC1
CC(C)c1nccn1Cc1cccc(NC(=O)N[C@@](C)(CO)C2CCCCC2)c1 C1CCC(CC1)[*:1] CC(C)c1nccn1Cc1cccc(c1)NC(=O)N[C@@](C)(CO)[*:1]
CC(C)c1nccn1Cc1cccc(NC(=O)N[C@@](C)(CO)C2CCCCC2)c1 CC(C)c1nccn1[*:1] C[C@@](CO)(NC(=O)Nc1cccc(c1)C[*:1])C1CCCCC1
O=C(NC1CCCCC1)c1ccccc1-c1nc(-c2ccccc2F)no1 Fc1ccccc1[*:1] O=C(NC1CCCCC1)c1ccccc1-c1nc(no1)[*:1]
O=C(NC1CCCCC1)c1ccccc1-c1nc(-c2ccccc2F)no1 C1CCC(CC1)[*:1] O=C(N[*:1])c1ccccc1-c1nc(no1)-c1ccccc1F
O=C(NC1CCCCC1)c1ccccc1-c1nc(-c2ccccc2F)no1 O=C(NC1CCCCC1)[*:1] Fc1ccccc1-c1noc(n1)-c1ccccc1[*:1]
Cc1ccccc1[C@H](C)NC(=O)CCCNC(=O)c1cccs1 Cc1ccccc1[*:1] C[C@H](NC(=O)CCCNC(=O)c1cccs1)[*:1]
Cc1ccccc1[C@H](C)NC(=O)CCCNC(=O)c1cccs1 c1csc(c1)[*:1] Cc1ccccc1[C@H](C)NC(=O)CCCNC(=O)[*:1]
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(cc1)C(F)(F)F)[*:1]
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1cccs1 FC(F)(F)[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(cc1)[*:1])c1cccs1
Cc1n[nH]c(SCC(=O)N(C)CCN(C)c2ccccc2)n1 Cc1n[nH]c(n1)S[*:1] CN(CCN(C)c1ccccc1)C(=O)C[*:1]
Cc1n[nH]c(SCC(=O)N(C)CCN(C)c2ccccc2)n1 Cc1n[nH]c(n1)[*:1] CN(CCN(C)c1ccccc1)C(=O)CS[*:1]
Cc1n[nH]c(SCC(=O)N(C)CCN(C)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1n[nH]c(n1)SCC(=O)N(C)CCN(C)[*:1]
COc1ccc(CCNC(=O)Nc2ccc(C)cc2Br)cc1OC Cc1ccc(c(Br)c1)[*:1] COc1ccc(cc1OC)CCNC(=O)N[*:1]
Cc1cccc2[nH]c([C@H]3CCCN3C(=O)c3cn4ccsc4n3)nc12 c1cn2cc(nc2s1)[*:1] Cc1cccc2[nH]c(nc12)[C@H]1CCCN1C(=O)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1cccc(N2CCCNC2=O)c1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)c1cccc(c1)N1CCCNC1=O)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)c1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)c1cccc(c1)[*:1]
CCC[NH2+][C@H](C)c1cc(F)c(C)cc1N1CCC(C)(C)C1 CCC[*:1] Cc1cc(c(cc1F)[C@@H](C)[NH2+][*:1])N1CCC(C)(C)C1
CCC[NH2+][C@H](C)c1cc(F)c(C)cc1N1CCC(C)(C)C1 CC1(C)CCN(C1)[*:1] CCC[NH2+][C@H](C)c1cc(F)c(C)cc1[*:1]
O=C(N/N=C/c1cc2cc3c(cc2nc1Cl)OCO3)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(N/N=C/c1cc2cc3OCOc3cc2nc1Cl)c1ccc(cc1)[*:1]
O=C(N/N=C/c1cc2cc3c(cc2nc1Cl)OCO3)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(N/N=C/c1cc2cc3OCOc3cc2nc1Cl)[*:1]
CC(C)C(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] CC(C)C(=O)Nc1ccccc1[*:1]
CC(C)C(=O)Nc1ccccc1N1CCCC1=O CC(C)[*:1] O=C1CCCN1c1ccccc1NC(=O)[*:1]
CC(C)C(=O)Nc1ccccc1N1CCCC1=O CC(C)C(=O)N[*:1] O=C1CCCN1c1ccccc1[*:1]
O=C(Nc1cccc(-c2ccn[nH]2)c1)C(c1ccccc1)c1ccccc1 c1cc([nH]n1)[*:1] O=C(Nc1cccc(c1)[*:1])C(c1ccccc1)c1ccccc1
O=C(Nc1cccc(-c2ccn[nH]2)c1)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1ccn[nH]1)C(c1ccccc1)[*:1]
Cc1cccc(C)c1C[NH2+]CC(C)(C)C(N)=O NC(=O)[*:1] Cc1cccc(C)c1C[NH2+]CC(C)(C)[*:1]
Cc1[nH+]c(SCC(=O)N[C@@H]2N=C(c3ccccc3)CS2)[nH]c1Cc1ccc(O)cc1 Oc1ccc(cc1)C[*:1] Cc1[nH+]c([nH]c1[*:1])SCC(=O)N[C@@H]1N=C(CS1)c1ccccc1
Cc1[nH+]c(SCC(=O)N[C@@H]2N=C(c3ccccc3)CS2)[nH]c1Cc1ccc(O)cc1 Oc1ccc(cc1)[*:1] Cc1[nH+]c([nH]c1C[*:1])SCC(=O)N[C@@H]1N=C(CS1)c1ccccc1
Cc1[nH+]c(SCC(=O)N[C@@H]2N=C(c3ccccc3)CS2)[nH]c1Cc1ccc(O)cc1 c1ccc(cc1)[*:1] Cc1[nH+]c([nH]c1Cc1ccc(O)cc1)SCC(=O)N[C@@H]1N=C(CS1)[*:1]
CCS(=O)(=O)Nc1cccc(NC(C)=O)c1 CC(=O)N[*:1] CCS(=O)(=O)Nc1cccc(c1)[*:1]
O=c1n(CCBr)nnn1-c1ccccc1 BrCC[*:1] O=c1n(nnn1[*:1])-c1ccccc1
CCOc1ccc(C(=O)CSc2nnc3sc4ccccc4n23)cc1 CCO[*:1] O=C(CSc1nnc2sc3ccccc3n12)c1ccc(cc1)[*:1]
COCCOc1ccc(-c2nc(-c3cnccn3)no2)cc1 c1cnc(cn1)[*:1] COCCOc1ccc(cc1)-c1nc(no1)[*:1]
COCCOc1ccc(-c2nc(-c3cnccn3)no2)cc1 COCCO[*:1] c1cnc(cn1)-c1noc(n1)-c1ccc(cc1)[*:1]
COCCOc1ccc(-c2nc(-c3cnccn3)no2)cc1 COC[*:1] c1cnc(cn1)-c1noc(n1)-c1ccc(cc1)OC[*:1]
COCCOc1ccc(-c2nc(-c3cnccn3)no2)cc1 COCC[*:1] c1cnc(cn1)-c1noc(n1)-c1ccc(cc1)O[*:1]
Cc1ccc(NC(=O)c2ccc([C@H]3Nc4ccccc4S(=O)(=O)N3)cc2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])c1ccc(cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1
[NH3+][C@H](c1ccn(C[C@H]2Cc3ccccc3S2)c1)C1CC1 C1CC1[*:1] [NH3+][C@H](c1ccn(c1)C[C@H]1Cc2ccccc2S1)[*:1]
O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1CC[*:1]
O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1C[*:1]
O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1[*:1]
CC1=NN(c2ccccc2)C(=O)[C@]12C[C@H]2c1ccccc1 c1ccc(cc1)[*:1] CC1=NN(C(=O)[C@]12C[C@H]2c1ccccc1)[*:1]
CC1=NN(c2ccccc2)C(=O)[C@]12C[C@H]2c1ccccc1 c1ccc(cc1)[*:1] CC1=NN(C(=O)[C@]12C[C@@H]2[*:1])c1ccccc1
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccc(C)cc1 Cc1ccc(cc1)O[*:1] CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[*:1]
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccc(C)cc1 Cc1ccc(cc1)OC[*:1] CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[*:1]
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CO[*:1]
C[NH+](CCCNC(=O)C(F)(F)F)C1CCS(=O)(=O)CC1 FC(F)(F)[*:1] C[NH+](CCCNC(=O)[*:1])C1CCS(=O)(=O)CC1
COC(=O)c1cccc(CCNC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c1 COC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])N[C@@H]1CCO[C@H]1c1ccccc1
COC(=O)c1cccc(CCNC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COC(=O)c1cccc(c1)CCNC(=O)N[C@@H]1CCO[C@@H]1[*:1]
COc1cccc(C2=NO[C@]3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)c1OC Fc1ccc(cc1)[*:1] COc1cccc(C2C[C@@]3(CC(=O)N(C3=O)[*:1])ON=2)c1OC
COCC[C@H](Br)Cc1ccccn1 COCC[*:1] Br[C@H](Cc1ccccn1)[*:1]
COCC[C@H](Br)Cc1ccccn1 COC[*:1] Br[C@H](Cc1ccccn1)C[*:1]
NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)S[*:1] NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)C[*:1]
NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CSc1ncn[nH]1 NC(=O)[*:1] O=C(CSc1ncn[nH]1)Nc1c(nnn1Cc1ccccc1)[*:1]
NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CSc1ncn[nH]1 c1ccc(cc1)C[*:1] NC(=O)c1nnn(c1NC(=O)CSc1ncn[nH]1)[*:1]
NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)SC[*:1] NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[*:1]
NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CSc1ncn[nH]1 c1ccc(cc1)[*:1] NC(=O)c1nnn(C[*:1])c1NC(=O)CSc1ncn[nH]1
NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)[*:1] NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CS[*:1]
CC(C)S(=O)(=O)CC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 CC(C)S(=O)(=O)C[*:1] C[C@H](c1ccc(Cl)cc1)N(C(=O)[*:1])C1CC1
CC(C)S(=O)(=O)CC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 C1CC1[*:1] CC(C)S(=O)(=O)CC(=O)N([C@H](C)c1ccc(Cl)cc1)[*:1]
CC(C)S(=O)(=O)CC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 CC(C)S(=O)(=O)[*:1] C[C@H](c1ccc(Cl)cc1)N(C(=O)C[*:1])C1CC1
CC(C)S(=O)(=O)CC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)S(=O)(=O)CC(=O)N(C1CC1)[C@H](C)[*:1]
CC(C)S(=O)(=O)CC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 CC(C)[*:1] C[C@H](c1ccc(Cl)cc1)N(C(=O)CS(=O)(=O)[*:1])C1CC1
NC(=O)c1ccc(CNC(=O)C(=O)Nc2cnc(-c3ccccc3)s2)o1 NC(=O)c1ccc(o1)[*:1] O=C(NC[*:1])C(=O)Nc1cnc(s1)-c1ccccc1
NC(=O)c1ccc(CNC(=O)C(=O)Nc2cnc(-c3ccccc3)s2)o1 c1ccc(cc1)[*:1] NC(=O)c1ccc(CNC(=O)C(=O)Nc2cnc(s2)[*:1])o1
NC(=O)c1ccc(CNC(=O)C(=O)Nc2cnc(-c3ccccc3)s2)o1 NC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])C(=O)Nc1cnc(s1)-c1ccccc1
CCOc1ccc(S(=O)(=O)N2CCC(Oc3cccnc3)CC2)cc1 c1cncc(c1)O[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCC(Oc3cccnc3)CC2)cc1 c1cncc(c1)[*:1] CCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)O[*:1]
CCOc1ccc(S(=O)(=O)N2CCC(Oc3cccnc3)CC2)cc1 CCO[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC(CC1)Oc1cccnc1
CN(CCS(C)(=O)=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1
CN(CCS(C)(=O)=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 CC(C)(C)[*:1] CN(CCS(C)(=O)=O)C(=O)N[C@H](C[*:1])c1ccc(F)cc1
CN(CCS(C)(=O)=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CCS(C)(=O)=O)C(=O)N[C@H](CC(C)(C)C)[*:1]
CN(CCS(C)(=O)=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1
CN(CCS(C)(=O)=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 CC(C)(C)C[*:1] CN(CCS(C)(=O)=O)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
CN(CCS(C)(=O)=O)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 CS(=O)(=O)CC[*:1] CN(C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)[*:1]
Cc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C1)O2 O=c1ccn(C[*:1])c(=O)[nH]1 Cc1ccc2O[C@H](CC(=O)c2c1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C1)O2 O=c1ccn(c(=O)[nH]1)[*:1] Cc1ccc2O[C@H](CC(=O)c2c1)[C@H]1CCCN(C1)C(=O)C[*:1]
COc1ccc([C@@H](NC(=O)[C@H](C)NC(N)=O)C(C)C)cc1 NC(=O)N[*:1] COc1ccc(cc1)[C@@H](NC(=O)[C@H](C)[*:1])C(C)C
COc1ccc([C@@H](NC(=O)[C@H](C)NC(N)=O)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)[C@H](C)NC(N)=O)[*:1]
COc1ccc([C@@H](NC(=O)[C@H](C)NC(N)=O)C(C)C)cc1 C[C@H](NC(N)=O)[*:1] COc1ccc(cc1)[C@@H](NC(=O)[*:1])C(C)C
O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1cccc(NC(=O)[C@H]2CCCO2)c1 c1ccc(cc1)-c1n[nH]c(n1)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)NC(=O)[C@H]1CCCO1
O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1cccc(NC(=O)[C@H]2CCCO2)c1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1-c1nc(n[nH]1)[*:1])c1cccc(c1)NC(=O)[C@H]1CCCO1
CCc1nn(CC(N)=O)c(=O)c2cc3oc(C)cc3n12 NC(=O)C[*:1] CCc1nn(c(=O)c2cc3oc(C)cc3n12)[*:1]
CCc1nn(CC(N)=O)c(=O)c2cc3oc(C)cc3n12 NC(=O)[*:1] CCc1nn(C[*:1])c(=O)c2cc3oc(C)cc3n12
COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccccc2Cl)CC1 Clc1ccccc1C[*:1] COC(=O)[C@@H](c1ccccc1Cl)N1CCN(CC1)C(=O)C[*:1]
COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccccc2Cl)CC1 Clc1ccccc1[*:1] COC(=O)[C@@H](N1CCN(CC1)C(=O)CCc1ccccc1Cl)[*:1]
COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccccc2Cl)CC1 Clc1ccccc1CC[*:1] COC(=O)[C@@H](c1ccccc1Cl)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccccc2Cl)CC1 COC(=O)[*:1] O=C(CCc1ccccc1Cl)N1CCN(CC1)[C@H](c1ccccc1Cl)[*:1]
COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccccc2Cl)CC1 Clc1ccccc1[*:1] COC(=O)[C@@H](c1ccccc1Cl)N1CCN(CC1)C(=O)CC[*:1]
CCOCCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 CCOC[*:1] Cc1nc(no1)[C@H](NC(=O)C[*:1])c1ccc(Cl)cc1
CCOCCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 Cc1nc(no1)[*:1] CCOCCC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CCOCCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 Clc1ccc(cc1)[*:1] CCOCCC(=O)N[C@H](c1noc(C)n1)[*:1]
CCOCCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 CCOCC[*:1] Cc1nc(no1)[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
CCOCCC(=O)N[C@H](c1ccc(Cl)cc1)c1noc(C)n1 CCO[*:1] Cc1nc(no1)[C@H](NC(=O)CC[*:1])c1ccc(Cl)cc1
Cc1c(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cnn1C(C)C c1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)N1C[C@@H](C(C)(C)C1)[*:1]
Cc1c(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1
O[C@@H](Cc1ccc(F)c(F)c1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O[C@@H](Cc1ccc(F)c(F)c1)c1ccc(cc1)[*:1]
O[C@@H](Cc1ccc(F)c(F)c1)c1ccc(OC(F)F)cc1 FC(F)[*:1] O[C@@H](Cc1ccc(F)c(F)c1)c1ccc(cc1)O[*:1]
O=C([C@H]1NCCc2[nH]c[nH+]c21)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 Fc1ccc(cc1)C[*:1] O=C([C@H]1NCCc2[nH]c[nH+]c21)N1Cc2cnn(c2C1)[*:1]
O=C([C@H]1NCCc2[nH]c[nH+]c21)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 Fc1ccc(cc1)[*:1] O=C([C@H]1NCCc2[nH]c[nH+]c21)N1Cc2cnn(C[*:1])c2C1
O=C(C1CCC1)N1CCN(Cc2ccccc2)c2ncccc21 c1ccc(cc1)C[*:1] O=C(C1CCC1)N1CCN(c2ncccc21)[*:1]
O=C(C1CCC1)N1CCN(Cc2ccccc2)c2ncccc21 c1ccc(cc1)[*:1] O=C(C1CCC1)N1CCN(C[*:1])c2ncccc21
O=C(C1CCC1)N1CCN(Cc2ccccc2)c2ncccc21 C1CC(C1)[*:1] O=C(N1CCN(Cc2ccccc2)c2ncccc21)[*:1]
Cc1noc(C)c1CNC(=O)[C@@H](C)/C(N)=N/O N/C(=N\O)[*:1] Cc1noc(C)c1CNC(=O)[C@@H](C)[*:1]
CCCc1cn(CC2CCN(C(=O)c3cnn(CCC)c3C)CC2)nn1 CCC[*:1] CCCc1cn(CC2CCN(CC2)C(=O)c2cnn(c2C)[*:1])nn1
CCCc1cn(CC2CCN(C(=O)c3cnn(CCC)c3C)CC2)nn1 CCC[*:1] CCCn1ncc(C(=O)N2CCC(CC2)Cn2cc(nn2)[*:1])c1C
CCCc1cn(CC2CCN(C(=O)c3cnn(CCC)c3C)CC2)nn1 CCCc1cn(nn1)[*:1] CCCn1ncc(C(=O)N2CCC(CC2)C[*:1])c1C
CC[NH2+][C@H](C)c1ccnc(-n2ccc(C(=O)N(C)C)n2)c1 CN(C)C(=O)[*:1] CC[NH2+][C@H](C)c1ccnc(c1)-n1ccc(n1)[*:1]
COC(=O)c1ccc2c(c1)NC1=C(C(=O)CC(C)(C)C1)[C@@H](c1ccncc1)N2 COC(=O)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1cc(ccc1N[C@@H]2c1ccncc1)[*:1]
COC(=O)c1ccc2c(c1)NC1=C(C(=O)CC(C)(C)C1)[C@@H](c1ccncc1)N2 c1cc(ccn1)[*:1] COC(=O)c1ccc2N[C@H](C3C(=O)CC(C)(C)CC=3Nc2c1)[*:1]
Cc1n[nH]c(C)c1NC(=O)CN(C)OCc1ccccc1 c1ccc(cc1)C[*:1] Cc1n[nH]c(C)c1NC(=O)CN(C)O[*:1]
Cc1n[nH]c(C)c1NC(=O)CN(C)OCc1ccccc1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1NC(=O)CN(C)OC[*:1]
Cc1n[nH]c(C)c1NC(=O)CN(C)OCc1ccccc1 Cc1n[nH]c(C)c1[*:1] CN(CC(=O)N[*:1])OCc1ccccc1
CCC(C)(C)NC(=O)c1cccc(-c2ccc(Oc3ccccc3OC)nn2)c1 CCC(C)(C)[*:1] COc1ccccc1Oc1ccc(nn1)-c1cccc(c1)C(=O)N[*:1]
CCC(C)(C)NC(=O)c1cccc(-c2ccc(Oc3ccccc3OC)nn2)c1 COc1ccccc1O[*:1] CCC(C)(C)NC(=O)c1cccc(c1)-c1ccc(nn1)[*:1]
CCC(C)(C)NC(=O)c1cccc(-c2ccc(Oc3ccccc3OC)nn2)c1 COc1ccccc1[*:1] CCC(C)(C)NC(=O)c1cccc(c1)-c1ccc(nn1)O[*:1]
CCC(C)(C)NC(=O)c1cccc(-c2ccc(Oc3ccccc3OC)nn2)c1 CCC(C)(C)NC(=O)[*:1] COc1ccccc1Oc1ccc(nn1)-c1cccc(c1)[*:1]
CCOc1ccccc1C(=O)N1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 CCO[*:1] C[NH+]1CCN(CC1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)N1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 CCOc1ccccc1[*:1] C[NH+]1CCN(CC1)C(=O)CN1CCN(CC1)C(=O)[*:1]
O=C(NCCc1cccnc1)[C@H]1CCCN(c2nnc3ccccn23)C1 c1cncc(c1)C[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nnc2ccccn12
O=C(NCCc1cccnc1)[C@H]1CCCN(c2nnc3ccccn23)C1 c1cncc(c1)CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nnc2ccccn12
O=C(NCCc1cccnc1)[C@H]1CCCN(c2nnc3ccccn23)C1 c1cncc(c1)[*:1] O=C(NCC[*:1])[C@H]1CCCN(C1)c1nnc2ccccn12
CCOc1ccc(NC(=O)Cn2ncc3c([nH]c4ccc(C)cc43)c2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc2[nH]c3c(=O)n(CC(=O)N[*:1])ncc3c2c1
CCOc1ccc(NC(=O)Cn2ncc3c([nH]c4ccc(C)cc43)c2=O)cc1 CCO[*:1] Cc1ccc2[nH]c3c(=O)n(CC(=O)Nc4ccc(cc4)[*:1])ncc3c2c1
Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1nc(C2CC2)no1 C1CC1[*:1] Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1nc(no1)[*:1]
CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc3ccccc13)CC(=O)N2 CCS[*:1] O=C1C[C@H](c2c(nc([nH]c2=O)[*:1])N1)c1cccc2ccccc12
COc1cccc([C@@]2(Cc3ccc(OC)c(OC)c3)NC(N)=NC2=O)c1 COc1cccc(c1)[*:1] COc1ccc(cc1OC)C[C@]1(NC(N)=NC1=O)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1O O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)Nc1cc(Cl)ccc1O)[*:1]
CC(C)Oc1cccc(-c2nnc(CCC(=O)N3CCSCC3)c([O-])n2)c1 CC(C)O[*:1] O=C(CCc1nnc(nc1[O-])-c1cccc(c1)[*:1])N1CCSCC1
CC(C)Oc1cccc(-c2nnc(CCC(=O)N3CCSCC3)c([O-])n2)c1 O=C(N1CCSCC1)[*:1] CC(C)Oc1cccc(c1)-c1nnc(CC[*:1])c([O-])n1
CC(C)Oc1cccc(-c2nnc(CCC(=O)N3CCSCC3)c([O-])n2)c1 CC(C)[*:1] O=C(CCc1nnc(nc1[O-])-c1cccc(c1)O[*:1])N1CCSCC1
CC(C)Oc1cccc(-c2nnc(CCC(=O)N3CCSCC3)c([O-])n2)c1 O=C(C[*:1])N1CCSCC1 CC(C)Oc1cccc(c1)-c1nnc(C[*:1])c([O-])n1
O=C(Nc1ncccc1OCc1ccncc1)c1ccc2c(c1)OCO2 c1cc(ccn1)[*:1] O=C(Nc1ncccc1OC[*:1])c1ccc2OCOc2c1
O=C(Nc1ncccc1OCc1ccncc1)c1ccc2c(c1)OCO2 c1cc(ccn1)C[*:1] O=C(Nc1ncccc1O[*:1])c1ccc2OCOc2c1
O=C(Nc1ncccc1OCc1ccncc1)c1ccc2c(c1)OCO2 c1cc(ccn1)CO[*:1] O=C(Nc1ncccc1[*:1])c1ccc2OCOc2c1
C[C@H](c1ccccc1)N1C[C@H](C(=O)N[C@@H]2CCCc3c2cnn3C)CC1=O C[C@H](c1ccccc1)[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@H](c1ccccc1)N1C[C@H](C(=O)N[C@@H]2CCCc3c2cnn3C)CC1=O c1ccc(cc1)[*:1] C[C@H](N1C[C@@H](CC1=O)C(=O)N[C@@H]1CCCc2c1cnn2C)[*:1]
O=C(NNc1cccnc1Cl)c1cccc(OCc2cscn2)c1 c1nc(cs1)CO[*:1] O=C(NNc1cccnc1Cl)c1cccc(c1)[*:1]
O=C(NNc1cccnc1Cl)c1cccc(OCc2cscn2)c1 Clc1ncccc1[*:1] O=C(NN[*:1])c1cccc(c1)OCc1cscn1
O=C(NNc1cccnc1Cl)c1cccc(OCc2cscn2)c1 c1nc(cs1)[*:1] O=C(NNc1cccnc1Cl)c1cccc(c1)OC[*:1]
O=C(NNc1cccnc1Cl)c1cccc(OCc2cscn2)c1 c1nc(cs1)C[*:1] O=C(NNc1cccnc1Cl)c1cccc(c1)O[*:1]
Cc1cc(NC(=O)[C@@H](SC[C@@H]2CCCCO2)c2ccccc2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])[C@@H](SC[C@@H]1CCCCO1)c1ccccc1
Cc1cc(NC(=O)[C@@H](SC[C@@H]2CCCCO2)c2ccccc2)no1 C1CC[C@H](OC1)[*:1] Cc1cc(no1)NC(=O)[C@@H](SC[*:1])c1ccccc1
Cc1cc(NC(=O)[C@@H](SC[C@@H]2CCCCO2)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@@H](SC[C@@H]1CCCCO1)[*:1]
CCN(CCC#N)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 N#CCC[*:1] CCN(CC(=O)N1CCO[C@H](C1)c1ccc(F)cc1)[*:1]
CCN(CCC#N)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 N#CC[*:1] CCN(CC(=O)N1CCO[C@H](C1)c1ccc(F)cc1)C[*:1]
CCN(CCC#N)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 CCN(CCC#N)[*:1] O=C(C[*:1])N1CCO[C@H](C1)c1ccc(F)cc1
CCN(CCC#N)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCN(CCC#N)CC(=O)N1CCO[C@@H](C1)[*:1]
Cc1nnc(-c2ccc(NC(=O)N(C)Cc3ccc(Cl)s3)cc2)o1 Cc1nnc(o1)[*:1] CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(cc1)[*:1]
Cc1nnc(-c2ccc(NC(=O)N(C)Cc3ccc(Cl)s3)cc2)o1 Clc1ccc(C[*:1])s1 Cc1nnc(o1)-c1ccc(cc1)NC(=O)N(C)[*:1]
Cc1nnc(-c2ccc(NC(=O)N(C)Cc3ccc(Cl)s3)cc2)o1 Clc1ccc(s1)[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)N(C)C[*:1]
CS(=O)(=O)OCCN1C(=O)c2cccc3cccc(c23)C1=O CS(=O)(=O)OC[*:1] O=C1c2cccc3cccc(C(=O)N1C[*:1])c23
CS(=O)(=O)OCCN1C(=O)c2cccc3cccc(c23)C1=O CS(=O)(=O)O[*:1] O=C1c2cccc3cccc(C(=O)N1CC[*:1])c23
CS(=O)(=O)OCCN1C(=O)c2cccc3cccc(c23)C1=O CS(=O)(=O)OCC[*:1] O=C1c2cccc3cccc(C(=O)N1[*:1])c23
COc1ccc(-c2csc(NC(=O)CSc3ccc(Cl)cc3)n2)cc1OC Clc1ccc(cc1)S[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)C[*:1]
COc1ccc(-c2csc(NC(=O)CSc3ccc(Cl)cc3)n2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)CS[*:1]
COc1ccc(-c2csc(NC(=O)CSc3ccc(Cl)cc3)n2)cc1OC Clc1ccc(cc1)SC[*:1] COc1ccc(cc1OC)-c1csc(n1)NC(=O)[*:1]
CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(cc1)[*:1]
CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(-c2ccccc2)cc1 CC(C)[*:1] C[C@](C#N)(NC(=O)CSc1ccc(cc1)-c1ccccc1)[*:1]
CCOC(=O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)c1 CCOC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O
CC(C)CC(C)(C)C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C CC(C)[*:1] C[C@@H](NC(=O)C(C)(C)C[*:1])C(=O)N1CCCC[C@H]1C
CC(C)CC(C)(C)C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C CC(C)C[*:1] C[C@@H](NC(=O)C(C)(C)[*:1])C(=O)N1CCCC[C@H]1C
CC(C)CC(C)(C)C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C CC(C)CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCCC[C@H]1C
C=CCS(=O)(=O)/N=C(\[O-])CCCSC CSC[*:1] C=CCS(=O)(=O)/N=C(\[O-])CC[*:1]
C=CCS(=O)(=O)/N=C(\[O-])CCCSC C=CC[*:1] CSCCC/C([O-])=N/S(=O)(=O)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])CCCSC CSCC[*:1] C=CCS(=O)(=O)/N=C(\[O-])C[*:1]
CCc1nnc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)o1 Cc1cc(C)n(n1)[*:1] CCc1nnc(CN2CCO[C@@H](C2)C[*:1])o1
CCc1nnc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)o1 CCc1nnc(o1)[*:1] Cc1cc(C)n(C[C@@H]2CN(CCO2)C[*:1])n1
Cc1c(CNC(=O)NCC(C)(C)c2ccncc2)oc2ccc(F)cc12 c1cc(ccn1)[*:1] Cc1c(CNC(=O)NCC(C)(C)[*:1])oc2ccc(F)cc12
Cc1cccc(C[NH2+]Cc2c(C(=O)[O-])c(C)n(Cc3cccc(F)c3)c2C)c1 Fc1cccc(c1)C[*:1] Cc1cccc(c1)C[NH2+]Cc1c(C(=O)[O-])c(C)n(c1C)[*:1]
Cc1cccc(C[NH2+]Cc2c(C(=O)[O-])c(C)n(Cc3cccc(F)c3)c2C)c1 O=C([O-])[*:1] Cc1cccc(c1)C[NH2+]Cc1c(c(C)n(Cc2cccc(F)c2)c1C)[*:1]
Cc1cccc(C[NH2+]Cc2c(C(=O)[O-])c(C)n(Cc3cccc(F)c3)c2C)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1)C[NH2+]Cc1c(C(=O)[O-])c(C)n(C[*:1])c1C
Cc1cccc(C[NH2+]Cc2c(C(=O)[O-])c(C)n(Cc3cccc(F)c3)c2C)c1 Cc1cccc(c1)[*:1] Cc1c(C[NH2+]C[*:1])c(C(=O)[O-])c(C)n1Cc1cccc(F)c1
Cc1cccc(C[NH2+]Cc2c(C(=O)[O-])c(C)n(Cc3cccc(F)c3)c2C)c1 Cc1cccc(c1)C[*:1] Cc1c(C[NH2+][*:1])c(C(=O)[O-])c(C)n1Cc1cccc(F)c1
CC(C)n1c([C@H]2CCCN(C(=O)NCC(F)(F)F)C2)nc2ccccc21 FC(F)(F)C[*:1] CC(C)n1c(nc2ccccc21)[C@H]1CCCN(C1)C(=O)N[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)NCC(F)(F)F)C2)nc2ccccc21 CC(C)[*:1] O=C(NCC(F)(F)F)N1CCC[C@@H](C1)c1nc2ccccc2n1[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)NCC(F)(F)F)C2)nc2ccccc21 FC(F)(F)[*:1] CC(C)n1c(nc2ccccc21)[C@H]1CCCN(C1)C(=O)NC[*:1]
COC(=O)CCN1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 COC(=O)[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC[*:1])C[C@H]1C
COC(=O)CCN1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 COC(=O)CC[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(C[C@H]1C)[*:1]
COC(=O)CCN1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 O=[N+]([O-])[*:1] COC(=O)CCN1CCN(c2ccc(cc2[*:1])C(C)=O)[C@H](C)C1
COC(=O)CCN1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 CC(=O)[*:1] COC(=O)CCN1CCN(c2ccc(cc2[N+](=O)[O-])[*:1])[C@H](C)C1
COC(=O)CCN1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 COC(=O)C[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(C[C@H]1C)C[*:1]
O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NC[*:1]
O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N[*:1]
CCn1nc(C(C)C)cc1C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 CC(C)[*:1] CCn1nc(cc1C(=O)N(C)[C@@H]1CCC[C@@H](C)C1)[*:1]
O=c1cnn(Cc2ccccc2)c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] O=c1cnn(Cc2ccccc2)c(=O)n1C[*:1]
O=c1cnn(Cc2ccccc2)c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] O=c1cnn(Cc2ccccc2)c(=O)n1[*:1]
O=c1cnn(Cc2ccccc2)c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] O=c1cnn(C[*:1])c(=O)n1Cc1ccccc1
O=c1cnn(Cc2ccccc2)c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] O=c1cnn(c(=O)n1Cc1ccccc1)[*:1]
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1ccc(F)c(F)c1 O=Cc1ccc(cc1)[*:1] Cc1cc(CO[*:1])oc1C(=O)Nc1ccc(F)c(F)c1
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1ccc(F)c(F)c1 O=Cc1ccc(cc1)O[*:1] Cc1cc(C[*:1])oc1C(=O)Nc1ccc(F)c(F)c1
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N[*:1]
Cc1c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])OCC(=O)Nc1cc(ccc1F)[N+](=O)[O-]
Cc1c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[N+](=O)[O-])OCC(=O)Nc1cc(ccc1F)[*:1]
Cc1n[nH]c2ncc(C(=O)NCc3ccccc3Cl)cc12 Clc1ccccc1[*:1] Cc1n[nH]c2ncc(cc12)C(=O)NC[*:1]
CCCCn1cnc2c(-c3ccc(OC)cc3)csc2c1=O CCCC[*:1] COc1ccc(cc1)-c1csc2c(=O)n(cnc12)[*:1]
CCCCn1cnc2c(-c3ccc(OC)cc3)csc2c1=O CCC[*:1] COc1ccc(cc1)-c1csc2c(=O)n(cnc12)C[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccccc3F)c2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[C@@H]1SCC(=O)N1[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccccc3F)c2)cc1 Cc1ccc(cc1)[*:1] O=C1CS[C@@H](c2cccc(c2)NS(=O)(=O)[*:1])N1c1ccccc1F
O=S(=O)(c1c(F)cccc1F)N1CCN(Cc2ccon2)CC1 c1cc(no1)[*:1] O=S(=O)(c1c(F)cccc1F)N1CCN(CC1)C[*:1]
O=S(=O)(c1c(F)cccc1F)N1CCN(Cc2ccon2)CC1 c1cc(C[*:1])no1 O=S(=O)(c1c(F)cccc1F)N1CCN(CC1)[*:1]
CC(C)NC(=O)CN(C)C(=O)/C=C/c1cnc(C(C)(C)C)s1 CC(C)[*:1] CN(CC(=O)N[*:1])C(=O)/C=C/c1cnc(s1)C(C)(C)C
CC(C)NC(=O)CN(C)C(=O)/C=C/c1cnc(C(C)(C)C)s1 CC(C)NC(=O)C[*:1] CN(C(=O)/C=C/c1cnc(s1)C(C)(C)C)[*:1]
CC(C)NC(=O)CN(C)C(=O)/C=C/c1cnc(C(C)(C)C)s1 CC(C)(C)[*:1] CC(C)NC(=O)CN(C)C(=O)/C=C/c1cnc(s1)[*:1]
CC(C)NC(=O)CN(C)C(=O)/C=C/c1cnc(C(C)(C)C)s1 CC(C)NC(=O)[*:1] CN(C[*:1])C(=O)/C=C/c1cnc(s1)C(C)(C)C
Cc1cc([C@@](C)(O)CNC(=O)/C=C/c2ccnc3ccccc23)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@](O)(CNC(=O)/C=C/c1ccnc2ccccc12)[*:1]
COc1ccc(NC(=O)c2ccoc2COc2ccccc2)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)NC(=O)c1ccoc1C[*:1]
COc1ccc(NC(=O)c2ccoc2COc2ccccc2)cc1 c1ccc(cc1)OC[*:1] COc1ccc(cc1)NC(=O)c1ccoc1[*:1]
COc1ccc(NC(=O)c2ccoc2COc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)c1ccoc1CO[*:1]
COc1ccc(NC(=O)c2ccoc2COc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1ccoc1COc1ccccc1
C[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C C[C@@H](c1ccncc1)[*:1] CN(C(=O)Nc1cc(ccc1C[NH+](C)C)C(N)=O)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C c1cc(ccn1)[*:1] C[C@@H](N(C)C(=O)Nc1cc(ccc1C[NH+](C)C)C(N)=O)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C NC(=O)[*:1] C[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(ccc1C[NH+](C)C)[*:1]
Cc1ccc([C@]2(C)NC(=O)N(CCn3c(=O)oc4cccnc43)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CCn2c(=O)oc3cccnc32)C1=O)[*:1]
C[C@@H]1CCN(C(=O)c2cccc(OCc3cscn3)c2)C[C@H]1O c1nc(cs1)C[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1cccc(c1)O[*:1]
C[C@@H]1CCN(C(=O)c2cccc(OCc3cscn3)c2)C[C@H]1O c1nc(cs1)CO[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1cccc(c1)[*:1]
C[C@@H]1CCN(C(=O)c2cccc(OCc3cscn3)c2)C[C@H]1O c1nc(cs1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)c1cccc(c1)OC[*:1]
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 O=[N+]([O-])[*:1] C[C@@H](c1cccc(c1)[*:1])N(C)C(=O)[C@H]1CC(=O)N(C)C1
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 CN1C[C@H](CC1=O)[*:1] C[C@@H](c1cccc(c1)[N+](=O)[O-])N(C)C(=O)[*:1]
Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)OC[C@@H](O)C[NH2+][C@H](C)[*:1]
C=CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(O)n[nH]c2C[C@]1(C)O C=CCOC(=O)[*:1] C[C@]1(O)Cc2[nH]nc(O)c2[C@H](c2cccc(c2)[N+](=O)[O-])[C@@H]1[*:1]
C=CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(O)n[nH]c2C[C@]1(C)O C=CC[*:1] C[C@]1(O)Cc2[nH]nc(O)c2[C@H](c2cccc(c2)[N+](=O)[O-])[C@@H]1C(=O)O[*:1]
C=CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(O)n[nH]c2C[C@]1(C)O O=[N+]([O-])[*:1] C=CCOC(=O)[C@H]1[C@@H](c2cccc(c2)[*:1])c2c(O)n[nH]c2C[C@]1(C)O
C=CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2c(O)n[nH]c2C[C@]1(C)O O=[N+]([O-])c1cccc(c1)[*:1] C=CCOC(=O)[C@H]1[C@@H](c2c(O)n[nH]c2C[C@]1(C)O)[*:1]
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CC1CCCC1 c1ccc(cc1)[*:1] Cc1nc(sc1[C@@H](C)NC(=O)CC1CCCC1)[*:1]
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CC1CCCC1 C1CCC(C1)[*:1] Cc1nc(sc1[C@@H](C)NC(=O)C[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CC1CCCC1 C1CCC(C1)C[*:1] Cc1nc(sc1[C@@H](C)NC(=O)[*:1])-c1ccccc1
C[C@@H](CO)NC(=O)Nc1ccc[nH+]c1N1CCCC1 C1CCN(C1)[*:1] C[C@@H](CO)NC(=O)Nc1ccc[nH+]c1[*:1]
C[C@@H](CO)NC(=O)Nc1ccc[nH+]c1N1CCCC1 C[C@@H](CO)[*:1] O=C(Nc1ccc[nH+]c1N1CCCC1)N[*:1]
CCC[NH2+][C@@H](c1occc1Br)[C@@](C)(CC)[NH+](C)C Brc1ccoc1[*:1] CCC[NH2+][C@@H]([C@@](C)(CC)[NH+](C)C)[*:1]
CCC[NH2+][C@@H](c1occc1Br)[C@@](C)(CC)[NH+](C)C CCC[*:1] CC[C@](C)([C@@H]([NH2+][*:1])c1occc1Br)[NH+](C)C
CCn1ccnc(NCC[NH+](C)Cc2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] CCn1ccnc(NCC[NH+](C)C[*:1])c1=O
COc1cccc(CNC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])N1CCC(CC1)[C@@H](O)C(F)(F)F
COc1cccc(CNC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)c1 FC(F)(F)[*:1] COc1cccc(c1)CNC(=O)N1CCC(CC1)[C@@H](O)[*:1]
CC(C)(C)c1cnc(C[NH+]2CCCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)o1 CC(C)(C)[*:1] O=C(c1ccc(cc1)-n1cnnn1)N1CCC[NH+](CC1)Cc1ncc(o1)[*:1]
CC(C)(C)c1cnc(C[NH+]2CCCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)o1 CC(C)(C)c1cnc(o1)[*:1] O=C(c1ccc(cc1)-n1cnnn1)N1CCC[NH+](CC1)C[*:1]
CC(C)(C)c1cnc(C[NH+]2CCCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)o1 c1nnnn1[*:1] CC(C)(C)c1cnc(C[NH+]2CCCN(CC2)C(=O)c2ccc(cc2)[*:1])o1
COCCNC(=O)c1csc(COc2ccccc2Cl)n1 COC[*:1] O=C(NC[*:1])c1csc(COc2ccccc2Cl)n1
COCCNC(=O)c1csc(COc2ccccc2Cl)n1 Clc1ccccc1[*:1] COCCNC(=O)c1csc(CO[*:1])n1
COCCNC(=O)c1csc(COc2ccccc2Cl)n1 COCCNC(=O)[*:1] Clc1ccccc1OCc1nc(cs1)[*:1]
COCCNC(=O)c1csc(COc2ccccc2Cl)n1 COCC[*:1] O=C(N[*:1])c1csc(COc2ccccc2Cl)n1
NC(=O)c1ccc(C(F)(F)F)c(Cl)c1 NC(=O)[*:1] FC(F)(F)c1ccc(cc1Cl)[*:1]
NC(=O)c1ccc(C(F)(F)F)c(Cl)c1 FC(F)(F)[*:1] NC(=O)c1ccc(c(Cl)c1)[*:1]
Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)N=C3Nc4ccccc4N32)c1 Cc1cc(C)cc(c1)[*:1] O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)N[*:1]
CC(C)(CNC(=O)Nc1cnc2ccccc2c1)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(CNC(=O)Nc1cnc2ccccc2c1)NC(=O)O[*:1]
CC(C)(CNC(=O)Nc1cnc2ccccc2c1)NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] CC(C)(CNC(=O)Nc1cnc2ccccc2c1)[*:1]
CN(CC(=O)N1CCO[C@H](c2ccccc2)C1)c1ncnc2[nH]cnc12 c1ccc(cc1)[*:1] CN(CC(=O)N1CCO[C@H](C1)[*:1])c1ncnc2[nH]cnc12
C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nncn2C2CC2)C1 Clc1ccc(cc1Cl)[*:1] C[C@H](N1CCC[C@@H](C1)c1nncn1C1CC1)[*:1]
C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nncn2C2CC2)C1 C1CC1[*:1] C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C1)c1nncn1[*:1]
C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nncn2C2CC2)C1 c1nnc(n1C1CC1)[*:1] C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C1)[*:1]
C[C@@H]1CC(C(=O)Nc2cccc(-c3cccs3)c2)C[C@@H](C)O1 c1csc(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1cccc(c1)[*:1]
Cc1nc(CN(C)[C@H](C(N)=O)c2cccc(Br)c2)no1 Cc1nc(no1)[*:1] CN(C[*:1])[C@H](C(N)=O)c1cccc(Br)c1
Cc1nc(CN(C)[C@H](C(N)=O)c2cccc(Br)c2)no1 NC(=O)[*:1] Cc1nc(CN(C)[C@H](c2cccc(Br)c2)[*:1])no1
O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc2c(c1)OCCO2 Clc1ccccc1[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc2OCCOc2c1
CC[C@@](C)([NH3+])C(=O)N[C@H](C)CO C[C@H](CO)[*:1] CC[C@@](C)([NH3+])C(=O)N[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCC1CCCC1 C1CCC(C1)CC[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCC1CCCC1 C1CCC(C1)C[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCC1CCCC1 C1CCC(C1)[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CC[*:1]
C[C@@H](C(=O)NCCc1csc(-c2ccccc2)n1)n1cccn1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NCCc1csc(n1)[*:1])n1cccn1
C[C@@H](C(=O)NCCc1csc(-c2ccccc2)n1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)NCCc1csc(n1)-c1ccccc1)[*:1]
Cc1ccc(C[NH2+]C(C)(C)C)cc1[N+](=O)[O-] CC(C)(C)[*:1] Cc1ccc(cc1[N+](=O)[O-])C[NH2+][*:1]
Cc1ccc(C[NH2+]C(C)(C)C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C[NH2+]C(C)(C)C
COc1cccc([C@@H]2C[NH+]=C(N)N2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1C[NH+]=C(N)N1[*:1]
COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1scnc1C Cc1ncsc1[*:1] COc1ccccc1[C@H](CC(C)C)[NH2+]C[*:1]
COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1scnc1C CC(C)[*:1] COc1ccccc1[C@H](C[*:1])[NH2+]Cc1scnc1C
COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1scnc1C CC(C)C[*:1] COc1ccccc1[C@H]([NH2+]Cc1scnc1C)[*:1]
O=C(NCC1CC1)C1=NN(c2ccccc2)C(=O)CN1 C1CC1[*:1] O=C(NC[*:1])C1=NN(C(=O)CN1)c1ccccc1
O=C(NCC1CC1)C1=NN(c2ccccc2)C(=O)CN1 C1CC1C[*:1] O=C(N[*:1])C1=NN(C(=O)CN1)c1ccccc1
O=C(NCC1CC1)C1=NN(c2ccccc2)C(=O)CN1 c1ccc(cc1)[*:1] O=C(NCC1CC1)C1=NN(C(=O)CN1)[*:1]
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cn[nH]c1 c1ccc(cc1)O[*:1] CC(C)[C@H](NC(=O)C[*:1])C(=O)Nc1cn[nH]c1
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cn[nH]c1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)CO[*:1])C(=O)Nc1cn[nH]c1
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cn[nH]c1 CC(C)[*:1] O=C(COc1ccccc1)N[C@H](C(=O)Nc1cn[nH]c1)[*:1]
CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cn[nH]c1 c1n[nH]cc1[*:1] CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N[*:1]
CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1ncc(Cl)c(Cl)c1=O CCC[*:1] Cc1ccccc1NC(=O)CN(C(=O)Cn1ncc(Cl)c(Cl)c1=O)[*:1]
CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1ncc(Cl)c(Cl)c1=O O=c1c(Cl)c(Cl)cnn1[*:1] CCCN(CC(=O)Nc1ccccc1C)C(=O)C[*:1]
CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1ncc(Cl)c(Cl)c1=O Cc1ccccc1[*:1] CCCN(CC(=O)N[*:1])C(=O)Cn1ncc(Cl)c(Cl)c1=O
C[C@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])N1CCC(CC1)NS(=O)(=O)c1cccs1
C[C@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCC(CC1)NS(=O)(=O)c1cccs1)[*:1]
C[C@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 c1csc(c1)[*:1] C[C@H](NC(=O)N1CCC(CC1)NS(=O)(=O)[*:1])c1ccccc1
NC(=O)Nc1cccc(NC(=O)CCCSc2ccccc2)c1 NC(=O)N[*:1] O=C(CCCSc1ccccc1)Nc1cccc(c1)[*:1]
NC(=O)Nc1cccc(NC(=O)CCCSc2ccccc2)c1 c1ccc(cc1)S[*:1] NC(=O)Nc1cccc(c1)NC(=O)CCC[*:1]
NC(=O)Nc1cccc(NC(=O)CCCSc2ccccc2)c1 c1ccc(cc1)[*:1] NC(=O)Nc1cccc(c1)NC(=O)CCCS[*:1]
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)[*:1])N1CCOCC1
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=S(=O)(c1ccccc1)N(Cc1ccc(Br)cc1)[*:1]
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)(c1ccccc1)N(Cc1ccc(Br)cc1)C[*:1]
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCOCC1 Brc1ccc(cc1)C[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])N1CCOCC1
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCOCC1 Brc1ccc(cc1)[*:1] O=C(CN(C[*:1])S(=O)(=O)c1ccccc1)N1CCOCC1
Cc1cc(CN(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(CN(C)C(=O)[C@H]2CCCN2S(=O)(=O)[*:1])no1
Cc1cc(CN(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)no1 Cc1cc(C[*:1])no1 CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)[*:1]
Cc1cc(CN(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1
Cc1nn(CN2CCCC[C@@H]2C2OCCO2)c(C)c1[N+](=O)[O-] C1COC(O1)[*:1] Cc1nn(CN2CCCC[C@H]2[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CN2CCCC[C@@H]2C2OCCO2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CN2CCCC[C@@H]2C2OCCO2)c(C)c1[*:1]
CN(CC(C)(C)C)c1nc(Br)cn2ccnc12 CC(C)(C)C[*:1] CN(c1nc(Br)cn2ccnc12)[*:1]
CN(CC(C)(C)C)c1nc(Br)cn2ccnc12 CC(C)(C)[*:1] CN(C[*:1])c1nc(Br)cn2ccnc12
O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1N1CCOCC1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1N1CCOCC1)-c1nc(no1)[*:1]
O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1N1CCOCC1 O=[N+]([O-])[*:1] c1ccc(cc1)-c1noc(n1)-c1ccc(c(c1)[*:1])N1CCOCC1
O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1N1CCOCC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1cc(ccc1[*:1])-c1nc(no1)-c1ccccc1
COc1ccc(Cl)cc1NC(=O)NCc1c(C)nn(-c2ccccc2)c1C COc1ccc(Cl)cc1[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)NCc1c(C)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)NCc1c(C)nn(c1C)[*:1]
O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(CSc1ncnc2sc(cc12)[*:1])NC1CCCCC1
O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1ncnc2sc(cc12)-c1ccccc1)N[*:1]
C=CCNC1=C(C(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2ccccc21 C=CC[*:1] O=C(Nc1ccc(F)cc1F)C1=C(N[*:1])c2ccccc2S1(=O)=O
C=CCNC1=C(C(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2ccccc21 C=CCN[*:1] O=C(Nc1ccc(F)cc1F)C1=C(c2ccccc2S1(=O)=O)[*:1]
C=CCNC1=C(C(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2ccccc21 Fc1ccc(c(F)c1)[*:1] C=CCNC1=C(C(=O)N[*:1])S(=O)(=O)c2ccccc21
COc1cccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)C(=O)N1CCn2cccc2[C@@H]1[*:1]
COc1cccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(N1CCn2cccc2[C@H]1c1ccccc1)[*:1]
C[C@H](Sc1ccc(C(=O)[O-])cn1)[C@@H](C)O C[C@H]([C@@H](C)O)[*:1] O=C([O-])c1ccc(nc1)S[*:1]
C[C@H](Sc1ccc(C(=O)[O-])cn1)[C@@H](C)O O=C([O-])[*:1] C[C@H](Sc1ccc(cn1)[*:1])[C@@H](C)O
C[C@H](Sc1ccc(C(=O)[O-])cn1)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](Sc1ccc(cn1)C(=O)[O-])[*:1]
COc1cc(NC(=O)CSc2nc3ccccc3o2)ccc1N1CCCC1=O O=C1CCCN1[*:1] COc1cc(ccc1[*:1])NC(=O)CSc1nc2ccccc2o1
COc1cc(NC(=O)CSc2nc3ccccc3o2)ccc1N1CCCC1=O c1ccc2oc(nc2c1)[*:1] COc1cc(ccc1N1CCCC1=O)NC(=O)CS[*:1]
O=C1[NH+]=c2ccccc2=[NH+][C@H]1[C@H](Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1[NH+]=c2ccccc2=[NH+][C@H]1[C@H](N[*:1])c1ccccc1
O=C1[NH+]=c2ccccc2=[NH+][C@H]1[C@H](Nc1ccccc1)c1ccccc1 c1ccc(cc1)N[*:1] O=C1[NH+]=c2ccccc2=[NH+][C@H]1[C@H](c1ccccc1)[*:1]
O=C1[NH+]=c2ccccc2=[NH+][C@H]1[C@H](Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1[NH+]=c2ccccc2=[NH+][C@H]1[C@H](Nc1ccccc1)[*:1]
O=C(NCCNc1cc(N2CCOCC2)ncn1)Nc1ccccc1F C1CN(CCO1)[*:1] O=C(NCCNc1cc(ncn1)[*:1])Nc1ccccc1F
O=C(NCCNc1cc(N2CCOCC2)ncn1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(NCCNc1cc(ncn1)N1CCOCC1)N[*:1]
OCCOc1ccccc1OCc1noc(C2CC2)n1 OCC[*:1] c1ccc(O[*:1])c(c1)OCc1noc(n1)C1CC1
OCCOc1ccccc1OCc1noc(C2CC2)n1 C1CC1[*:1] OCCOc1ccccc1OCc1noc(n1)[*:1]
OCCOc1ccccc1OCc1noc(C2CC2)n1 OCCO[*:1] c1ccc(c(c1)OCc1noc(n1)C1CC1)[*:1]
Cc1cccc(Nc2nc(CC(=O)Nc3cccnc3)cs2)n1 c1cncc(c1)[*:1] Cc1cccc(n1)Nc1nc(cs1)CC(=O)N[*:1]
Cc1cccc(Nc2nc(CC(=O)Nc3cccnc3)cs2)n1 Cc1cccc(n1)[*:1] O=C(Cc1csc(n1)N[*:1])Nc1cccnc1
O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CCSCC1 FC(F)(F)[*:1] O=C(C1CCN(CC1)c1nccc(n1)[*:1])N1CCSCC1
O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CCSCC1 O=C(N1CCSCC1)[*:1] FC(F)(F)c1ccnc(n1)N1CCC(CC1)[*:1]
COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(OC)c1OC O=[N+]([O-])[*:1] COc1ccc(/C=N/Nc2ccc(cc2)[*:1])c(OC)c1OC
COCCc1nc(C)c([C@@H](C)OC(=O)c2cccs2)s1 c1csc(c1)[*:1] COCCc1nc(C)c(s1)[C@@H](C)OC(=O)[*:1]
COCCc1nc(C)c([C@@H](C)OC(=O)c2cccs2)s1 COC[*:1] Cc1nc(C[*:1])sc1[C@@H](C)OC(=O)c1cccs1
COCCc1nc(C)c([C@@H](C)OC(=O)c2cccs2)s1 COCC[*:1] Cc1nc(sc1[C@@H](C)OC(=O)c1cccs1)[*:1]
CCOc1ncnc(Oc2cc(Cl)cc(Cl)c2)c1N CCO[*:1] Nc1c(ncnc1[*:1])Oc1cc(Cl)cc(Cl)c1
COCc1ccc(CNC(=O)c2cc(C)ccc2-n2ccnc2)cc1 c1cn(cn1)[*:1] COCc1ccc(cc1)CNC(=O)c1cc(C)ccc1[*:1]
COCc1ccc(CNC(=O)c2cc(C)ccc2-n2ccnc2)cc1 COC[*:1] Cc1ccc(c(c1)C(=O)NCc1ccc(cc1)[*:1])-n1ccnc1
Cc1ccc2[nH]cc(-c3nc(-c4cccc(Br)c4)no3)c(=O)c2c1 Brc1cccc(c1)[*:1] Cc1ccc2[nH]cc(-c3nc(no3)[*:1])c(=O)c2c1
CCOCCN(C)C(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 CCOC[*:1] CN(C[*:1])C(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1
CCOCCN(C)C(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 CCOCC[*:1] CN(C(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)[*:1]
CCOCCN(C)C(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 CCO[*:1] CN(CC[*:1])C(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1
CCOCCN(C)C(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] CCOCCN(C)C(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[*:1]
C[C@@H](Cn1cncn1)NC(=O)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cn1cncn1)NC(=O)C(c1ccccc1)[*:1]
C[C@@H](Cn1cncn1)NC(=O)C(c1ccccc1)c1ccccc1 c1ncn(C[*:1])n1 C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)[*:1]
C[C@@H](Cn1cncn1)NC(=O)C(c1ccccc1)c1ccccc1 c1ncn(n1)[*:1] C[C@@H](C[*:1])NC(=O)C(c1ccccc1)c1ccccc1
Nc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] Nc1ccc2c(c1)CC[C@@H]2[NH2+]C[*:1]
CN(C)[C@@H](CN[C@@H]1CCCc2cccnc21)c1ccco1 c1coc(c1)[*:1] CN(C)[C@@H](CN[C@@H]1CCCc2cccnc21)[*:1]
CN(C)[C@@H](CN[C@@H]1CCCc2cccnc21)c1ccco1 CN(C)[*:1] c1coc(c1)[C@H](CN[C@@H]1CCCc2cccnc21)[*:1]
COc1ccc(C2=NN([C@@H](C#N)c3ccc(O)c(OC)c3)[C@H](c3ccccc3)C2)cc1 COc1cc(ccc1O)[*:1] COc1ccc(cc1)C1C[C@@H](c2ccccc2)N(N=1)[C@@H](C#N)[*:1]
COc1ccc(C2=NN([C@@H](C#N)c3ccc(O)c(OC)c3)[C@H](c3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H](C#N)N1N=C(C[C@H]1c1ccccc1)[*:1]
COc1ccc(C2=NN([C@@H](C#N)c3ccc(O)c(OC)c3)[C@H](c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@@H](N(N=1)[C@@H](C#N)c1ccc(O)c(c1)OC)[*:1]
CC(=O)N1N=C(CN2CCN(Cc3ccccc3Cl)CC2)O[C@H]1c1cccc(Cl)c1Cl Clc1ccccc1C[*:1] CC(=O)N1N=C(CN2CCN(CC2)[*:1])O[C@H]1c1cccc(Cl)c1Cl
CC(=O)N1N=C(CN2CCN(Cc3ccccc3Cl)CC2)O[C@H]1c1cccc(Cl)c1Cl Clc1ccccc1[*:1] CC(=O)N1N=C(CN2CCN(CC2)C[*:1])O[C@H]1c1cccc(Cl)c1Cl
CC(=O)N1N=C(CN2CCN(Cc3ccccc3Cl)CC2)O[C@H]1c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] CC(=O)N1N=C(CN2CCN(CC2)Cc2ccccc2Cl)O[C@@H]1[*:1]
CC1(C)CC(=O)C=C(Nc2ccc(Cl)c(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CC1(C)CC(=O)C=C(C1)Nc1ccc(Cl)c(c1)[*:1]
Cc1ccc(OCC(=O)NC[C@@H](O)c2ccsc2)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)OCC(=O)NC[C@@H](O)[*:1]
O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(CN2CCCC2=O)c1 c1nnnn1[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)CN1CCCC1=O
O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)c1cccc(c1)[*:1]
O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)c1cccc(c1)C[*:1]
CC[C@](C)([NH3+])C(=O)N[C@@H](C)c1ccccc1OC(C)C CC(C)O[*:1] CC[C@](C)([NH3+])C(=O)N[C@@H](C)c1ccccc1[*:1]
CC[C@](C)([NH3+])C(=O)N[C@@H](C)c1ccccc1OC(C)C CC(C)[*:1] CC[C@](C)([NH3+])C(=O)N[C@@H](C)c1ccccc1O[*:1]
CCCSC[C@H]([NH3+])c1cc(OC)cc(OC)c1 CCC[*:1] COc1cc(cc(c1)[C@@H]([NH3+])CS[*:1])OC
CCCSC[C@H]([NH3+])c1cc(OC)cc(OC)c1 CCCS[*:1] COc1cc(cc(c1)[C@@H]([NH3+])C[*:1])OC
CCCSC[C@H]([NH3+])c1cc(OC)cc(OC)c1 CCCSC[*:1] COc1cc(cc(c1)[C@@H]([NH3+])[*:1])OC
COc1ccc(N2C(=O)c3cccnc3[C@H]2Nc2ccc([N+](=O)[O-])cc2)cc1 COc1ccc(cc1)[*:1] O=C1c2cccnc2[C@@H](Nc2ccc(cc2)[N+](=O)[O-])N1[*:1]
COc1ccc(N2C(=O)c3cccnc3[C@H]2Nc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)c2cccnc2[C@H]1N[*:1]
COc1ccc(N2C(=O)c3cccnc3[C@H]2Nc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)N1C(=O)c2cccnc2[C@H]1Nc1ccc(cc1)[*:1]
CCCN(CC(=O)Nc1ccon1)C(=O)C(C)C c1cc(no1)[*:1] CCCN(CC(=O)N[*:1])C(=O)C(C)C
CCCN(CC(=O)Nc1ccon1)C(=O)C(C)C CCC[*:1] CC(C)C(=O)N(CC(=O)Nc1ccon1)[*:1]
CCCN(CC(=O)Nc1ccon1)C(=O)C(C)C CC(C)[*:1] CCCN(CC(=O)Nc1ccon1)C(=O)[*:1]
CCc1ocnc1C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 CCc1ocnc1[*:1] O=C(Nc1ccc(cn1)NC(=O)[*:1])c1ccccc1
CCc1ocnc1C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 c1ccc(cc1)[*:1] CCc1ocnc1C(=O)Nc1ccc(nc1)NC(=O)[*:1]
C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)c2C#N)C1 Clc1ccc(s1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[C@H]1CCCN1S(=O)(=O)[*:1])c2C#N
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1])[N+](=O)[O-]
O=C(Nc1ccc(O)cc1)c1c([O-])n2c3c(cccc3c1=O)CCC2 Oc1ccc(cc1)[*:1] O=C(N[*:1])c1c([O-])n2CCCc3cccc(c1=O)c32
Cc1ccnc(-c2ccc(NCC(=O)N(C)Cc3ccco3)cc2)n1 Cc1ccnc(n1)[*:1] CN(Cc1ccco1)C(=O)CNc1ccc(cc1)[*:1]
Cc1ccnc(-c2ccc(NCC(=O)N(C)Cc3ccco3)cc2)n1 c1coc(c1)C[*:1] Cc1ccnc(n1)-c1ccc(cc1)NCC(=O)N(C)[*:1]
Cc1ccnc(-c2ccc(NCC(=O)N(C)Cc3ccco3)cc2)n1 c1coc(c1)[*:1] Cc1ccnc(n1)-c1ccc(cc1)NCC(=O)N(C)C[*:1]
Cc1nc2ccc(NC(=O)[C@H](C)Sc3ccccn3)cc2o1 c1ccc(nc1)S[*:1] Cc1nc2ccc(cc2o1)NC(=O)[C@H](C)[*:1]
Cc1nc2ccc(NC(=O)[C@H](C)Sc3ccccn3)cc2o1 c1ccc(nc1)[*:1] Cc1nc2ccc(cc2o1)NC(=O)[C@H](C)S[*:1]
COC(=O)c1ccccc1NC(=O)COc1ncnc2ccccc12 COC(=O)[*:1] O=C(COc1ncnc2ccccc12)Nc1ccccc1[*:1]
N#CCNC(=O)COc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1 N#CCNC(=O)C[*:1] O=c1oc2cc(ccc2cc1-c1ccccc1OC(F)(F)F)O[*:1]
N#CCNC(=O)COc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1 FC(F)(F)O[*:1] N#CCNC(=O)COc1ccc2cc(-c3ccccc3[*:1])c(=O)oc2c1
N#CCNC(=O)COc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1 N#CCNC(=O)[*:1] O=c1oc2cc(ccc2cc1-c1ccccc1OC(F)(F)F)OC[*:1]
N#CCNC(=O)COc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1 N#CCNC(=O)CO[*:1] O=c1oc2cc(ccc2cc1-c1ccccc1OC(F)(F)F)[*:1]
N#CCNC(=O)COc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1 N#CC[*:1] O=C(COc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1)N[*:1]
N#CCNC(=O)COc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1 FC(F)(F)[*:1] N#CCNC(=O)COc1ccc2cc(-c3ccccc3O[*:1])c(=O)oc2c1
O=C(NCCCn1cncn1)c1ccc(Br)s1 c1ncn(n1)[*:1] O=C(NCCC[*:1])c1ccc(Br)s1
CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3ccc(OC)cc3)cc21 COc1ccc(cc1)C[*:1] CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(cc21)C(=O)N[*:1]
CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3ccc(OC)cc3)cc21 COc1ccc(cc1)[*:1] CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(cc21)C(=O)NC[*:1]
Cc1ccc(CNC(=O)c2csc(/C=C/C(=O)[O-])c2)s1 O=C([O-])C=C[*:1] Cc1ccc(CNC(=O)c2csc(c2)[*:1])s1
Cc1ccc(CNC(=O)c2csc(/C=C/C(=O)[O-])c2)s1 Cc1ccc(s1)[*:1] O=C([O-])/C=C/c1cc(cs1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)c2csc(/C=C/C(=O)[O-])c2)s1 O=C([O-])[*:1] Cc1ccc(CNC(=O)c2csc(C=C[*:1])c2)s1
CCC[NH2+]Cc1c[nH]nc1-c1oc2ccccc2c1CC CCC[*:1] CCc1c(oc2ccccc12)-c1n[nH]cc1C[NH2+][*:1]
COC(=O)[C@@H]1CCN(c2ncc(Br)cc2C)C1 COC(=O)[*:1] Cc1cc(Br)cnc1N1CC[C@H](C1)[*:1]
COC(=O)c1ccc(F)c(-c2ccc(Cl)c(C(=O)[O-])c2)c1 COC(=O)[*:1] O=C([O-])c1cc(ccc1Cl)-c1cc(ccc1F)[*:1]
COC(=O)c1ccc(F)c(-c2ccc(Cl)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] COC(=O)c1ccc(F)c(c1)-c1ccc(Cl)c(c1)[*:1]
Cc1ccc(OC(=O)[C@H](C)NC(=O)c2ccoc2)cc1C c1cc(co1)[*:1] Cc1ccc(cc1C)OC(=O)[C@H](C)NC(=O)[*:1]
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)c1c(C)noc1C Cc1noc(C)c1[*:1] Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)[*:1]
COc1cccc(CNC(=O)C2CCN(c3nnc(C)c4c(C)n(-c5ccc(C)cc5)nc34)CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(CC1)C(=O)NC[*:1]
COc1cccc(CNC(=O)C2CCN(c3nnc(C)c4c(C)n(-c5ccc(C)cc5)nc34)CC2)c1 COc1cccc(c1)CNC(=O)[*:1] Cc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(CC1)[*:1]
COc1cccc(CNC(=O)C2CCN(c3nnc(C)c4c(C)n(-c5ccc(C)cc5)nc34)CC2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)C1CCN(CC1)c1nnc(C)c2c(C)n(nc12)[*:1]
COc1cccc(CNC(=O)C2CCN(c3nnc(C)c4c(C)n(-c5ccc(C)cc5)nc34)CC2)c1 COc1cccc(c1)C[*:1] Cc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc2nc([C@@H](C)Cl)n(-c3cnn(C)c3)c2c1 C[C@@H](Cl)[*:1] Cc1ccc2nc(n(-c3cnn(C)c3)c2c1)[*:1]
Cc1ccc2nc([C@@H](C)Cl)n(-c3cnn(C)c3)c2c1 Cn1cc(cn1)[*:1] Cc1ccc2nc([C@@H](C)Cl)n(c2c1)[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(cc1)N1C(=O)c2ccccc2N[C@H]1[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 COc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@H](c2cccc(c2)[N+](=O)[O-])N1[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)N1C(=O)c2ccccc2N[C@@H]1c1cccc(c1)[*:1]
CCn1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2sccc21 NS(=O)(=O)[*:1] CCn1c(cc2sccc21)C(=O)Nc1ccc(cc1)[*:1]
Cc1noc([C@@H]2CCCN(C(=O)[C@H](C)n3nnc(-c4ccccc4)n3)C2)n1 Cc1noc(n1)[*:1] C[C@@H](C(=O)N1CCC[C@H](C1)[*:1])n1nnc(n1)-c1ccccc1
Cc1noc([C@@H]2CCCN(C(=O)[C@H](C)n3nnc(-c4ccccc4)n3)C2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C(=O)[C@H](C)n1nnc(n1)[*:1]
CCc1cnc(CCNC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)s1 CCc1cnc(C[*:1])s1 O=C(NC[*:1])N1CCC[C@H]1C[C@H](O)c1ccccc1
CCc1cnc(CCNC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)s1 CCc1cnc(s1)[*:1] O=C(NCC[*:1])N1CCC[C@H]1C[C@H](O)c1ccccc1
CCc1cnc(CCNC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)s1 O[C@H](c1ccccc1)[*:1] CCc1cnc(CCNC(=O)N2CCC[C@H]2C[*:1])s1
CCc1cnc(CCNC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)s1 c1ccc(cc1)[*:1] CCc1cnc(CCNC(=O)N2CCC[C@H]2C[C@H](O)[*:1])s1
c1ncc(CN2CCC[C@H]2C[NH+]2CCCCC2)s1 c1ncc(C[*:1])s1 C1CC[NH+](CC1)C[C@@H]1CCCN1[*:1]
c1ncc(CN2CCC[C@H]2C[NH+]2CCCCC2)s1 c1ncc(s1)[*:1] C1CC[NH+](CC1)C[C@@H]1CCCN1C[*:1]
COc1ccc(NC(=O)NCCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)N[*:1]
Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O FC(F)(F)[*:1] Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(cc1)[*:1])S(C)(=O)=O
Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O Cc1c(Cl)cccc1[*:1] CS(=O)(=O)N(CC(=O)Nc1ccc(cc1)C(F)(F)F)[*:1]
C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH3+])C(=O)N1CCC[C@@H]1[*:1]
C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)[O-] C[C@H]([NH3+])[*:1] O=C([O-])[C@@H]1CCCN1C(=O)[*:1]
CCC[C@H](C)C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 CCC[*:1] C[C@H](C(=O)OC1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
CCC[C@H](C)C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 CCC[C@H](C)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)OC(=O)[*:1]
CCC[C@H](C)C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CCC[C@H](C)C(=O)OC1CCN(CC1)C(=O)O[*:1]
CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccs4)C3)n2)cc1 c1csc(c1)[*:1] CC(C)c1ccc(cc1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccs4)C3)n2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(c1cccs1)N1CCC[C@@H](C1)c1nc(no1)[*:1]
CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccs4)C3)n2)cc1 CC(C)[*:1] O=C(c1cccs1)N1CCC[C@@H](C1)c1nc(no1)-c1ccc(cc1)[*:1]
Cc1cccc(NC(=O)CN2C(=O)C[C@H](c3ccccc3)Sc3ccccc32)c1 Cc1cccc(c1)[*:1] O=C(CN1C(=O)C[C@@H](Sc2ccccc21)c1ccccc1)N[*:1]
Cc1cccc(NC(=O)CN2C(=O)C[C@H](c3ccccc3)Sc3ccccc32)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CN1C(=O)C[C@H](Sc2ccccc21)[*:1]
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Oc2ccccc2)c1 O=[N+]([O-])[*:1] CSc1ccc(c(c1)C(=O)NC[C@@H](C)Oc1ccccc1)[*:1]
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Oc2ccccc2)c1 c1ccc(cc1)[*:1] CSc1ccc(c(c1)C(=O)NC[C@@H](C)O[*:1])[N+](=O)[O-]
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Oc2ccccc2)c1 c1ccc(cc1)O[*:1] CSc1ccc(c(c1)C(=O)NC[C@@H](C)[*:1])[N+](=O)[O-]
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(C)cc1 C#CCO[*:1] Cc1ccc(cc1)CNC(=O)C(=O)Nc1ccc(F)cc1[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] C#CCOc1cc(F)ccc1NC(=O)C(=O)N[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(C)cc1 C#CC[*:1] Cc1ccc(cc1)CNC(=O)C(=O)Nc1ccc(F)cc1O[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[*:1]
CC1(C)CCC[C@H](CC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)C1 NC(=O)[*:1] CC1(C)CCC[C@H](CC(=O)N2CC[C@@H](c3ccccc32)[*:1])C1
CC1(C)CCC[C@H](CC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)C1 CC1(C)CCC[C@H](C1)[*:1] NC(=O)[C@@H]1CCN(C(=O)C[*:1])c2ccccc21
Cc1oc(-c2cccs2)nc1C[S@@](=O)Cc1ncoc1C(C)C CC(C)[*:1] Cc1oc(nc1C[S@@](=O)Cc1ncoc1[*:1])-c1cccs1
Cc1oc(-c2cccs2)nc1C[S@@](=O)Cc1ncoc1C(C)C c1csc(c1)[*:1] Cc1oc(nc1C[S@@](=O)Cc1ncoc1C(C)C)[*:1]
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)c1 CC(C)[*:1] COc1ccc(OC)c(c1)[C@H]1C(C(=O)O[*:1])=C(C)Nc2ncnn21
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)c1 CC(C)OC(=O)[*:1] COc1ccc(OC)c(c1)[C@H]1C(=C(C)Nc2ncnn21)[*:1]
Cc1cccnc1C[C@@H](C)Nc1nc(N(C)C)c(C)c[nH+]1 Cc1cccnc1[*:1] Cc1c[nH+]c(nc1N(C)C)N[C@H](C)C[*:1]
Cc1cccnc1C[C@@H](C)Nc1nc(N(C)C)c(C)c[nH+]1 CN(C)[*:1] Cc1cccnc1C[C@@H](C)Nc1nc(c(C)c[nH+]1)[*:1]
Cc1nc(N(C)C)c2c([nH+]1)CN(C(=O)c1cc3sccc3[nH]1)CC2 CN(C)[*:1] Cc1nc(c2CCN(Cc2[nH+]1)C(=O)c1cc2sccc2[nH]1)[*:1]
Cc1nc(N(C)C)c2c([nH+]1)CN(C(=O)c1cc3sccc3[nH]1)CC2 c1cc2[nH]c(cc2s1)[*:1] Cc1nc(c2CCN(Cc2[nH+]1)C(=O)[*:1])N(C)C
COc1ccc(C2=NN(C=O)[C@H](c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@@H](N(C=O)N=1)[*:1]
CCOc1cc(C(=O)N2CCc3ccccc32)ccc1OCc1ccncc1 c1cc(ccn1)[*:1] CCOc1cc(ccc1OC[*:1])C(=O)N1CCc2ccccc21
CCOc1cc(C(=O)N2CCc3ccccc32)ccc1OCc1ccncc1 c1cc(ccn1)CO[*:1] CCOc1cc(ccc1[*:1])C(=O)N1CCc2ccccc21
CCOc1cc(C(=O)N2CCc3ccccc32)ccc1OCc1ccncc1 CCO[*:1] O=C(c1ccc(OCc2ccncc2)c(c1)[*:1])N1CCc2ccccc21
CCOc1cc(C(=O)N2CCc3ccccc32)ccc1OCc1ccncc1 c1cc(ccn1)C[*:1] CCOc1cc(ccc1O[*:1])C(=O)N1CCc2ccccc21
CCc1nn2c(c1-c1ccc(OC)c(OC)c1)NC(=O)[C@H]2CC(=O)Nc1cccc2ccccc12 COc1ccc(cc1OC)[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)Nc2cccc3ccccc23)c1[*:1]
CCc1nn2c(c1-c1ccc(OC)c(OC)c1)NC(=O)[C@H]2CC(=O)Nc1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] CCc1nn2c(NC(=O)[C@H]2CC(=O)N[*:1])c1-c1ccc(OC)c(c1)OC
Cc1cc(Nc2[nH+]cnc(NC3CCCCC3)c2N)no1 Cc1cc(no1)[*:1] Nc1c(nc[nH+]c1N[*:1])NC1CCCCC1
Cc1cc(Nc2[nH+]cnc(NC3CCCCC3)c2N)no1 C1CCC(CC1)N[*:1] Cc1cc(no1)Nc1[nH+]cnc(c1N)[*:1]
Cc1cc(Nc2[nH+]cnc(NC3CCCCC3)c2N)no1 C1CCC(CC1)[*:1] Cc1cc(no1)Nc1[nH+]cnc(N[*:1])c1N
Cc1cc(Nc2[nH+]cnc(NC3CCCCC3)c2N)no1 Cc1cc(no1)N[*:1] Nc1c(nc[nH+]c1[*:1])NC1CCCCC1
Cc1cc([C@H](N)C(F)(F)F)ccc1O FC(F)(F)[*:1] Cc1cc(ccc1O)[C@H](N)[*:1]
C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)C(=O)N[*:1]
Cc1ccccc1OCCC[NH+]1CCC(NC(=O)c2ccoc2C)CC1 Cc1occc1[*:1] Cc1ccccc1OCCC[NH+]1CCC(CC1)NC(=O)[*:1]
Cc1ccccc1OCCC[NH+]1CCC(NC(=O)c2ccoc2C)CC1 Cc1ccccc1[*:1] Cc1occc1C(=O)NC1CC[NH+](CCCO[*:1])CC1
Cc1ccccc1OCCC[NH+]1CCC(NC(=O)c2ccoc2C)CC1 Cc1ccccc1O[*:1] Cc1occc1C(=O)NC1CC[NH+](CCC[*:1])CC1
Cc1ccc(-c2n[nH]c(NC(=O)c3occc3C)n2)cc1 Cc1ccoc1[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)NC(=O)[*:1]
Cc1ccc(-c2n[nH]c(NC(=O)c3occc3C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccoc1C(=O)Nc1nc(n[nH]1)[*:1]
CCOCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F CCO[*:1] O=C(C[*:1])NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F
CCOCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F CCOC[*:1] O=C(NNC(=O)[*:1])[C@@H]1C[C@@H]1c1cccc(F)c1F
Cn1c(=O)c2[nH]c(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)nc2n(C)c1=O c1ccc(cc1)C[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cn1c(=O)c2[nH]c(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)nc2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2[nH]c(nc2n(C)c1=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CCO[C@@H]1C[C@H](Nn2cccc2)C1(C)C CCO[*:1] CC1(C)[C@H](C[C@H]1[*:1])Nn1cccc1
CC(=O)N[C@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)NCc1ccc(F)cc1)[*:1]
CC(=O)N[C@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)NC[*:1])c1ccccc1
CC(=O)N[C@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 CC(=O)N[*:1] O=C(C[C@H](c1ccccc1)[*:1])NCc1ccc(F)cc1
Cc1cc(C)c2nc(C)cc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 O=[N+]([O-])[*:1] Cc1cc(C)c2nc(C)cc(NC(=O)c3ccc(cc3)[*:1])c2c1
CCCn1c(=O)c2ccc(Cl)cc2n2c(SCC(=O)Nc3cccc(C)c3)nnc12 Cc1cccc(c1)[*:1] CCCn1c(=O)c2ccc(Cl)cc2n2c(nnc12)SCC(=O)N[*:1]
CCCn1c(=O)c2ccc(Cl)cc2n2c(SCC(=O)Nc3cccc(C)c3)nnc12 CCC[*:1] Cc1cccc(c1)NC(=O)CSc1nnc2n(c(=O)c3ccc(Cl)cc3n12)[*:1]
CCCn1c(=O)c2ccc(Cl)cc2n2c(SCC(=O)Nc3cccc(C)c3)nnc12 Cc1cccc(c1)NC(=O)[*:1] CCCn1c(=O)c2ccc(Cl)cc2n2c(nnc12)SC[*:1]
O=C(c1ccccc1Cl)N1N=NN[C@H]1c1ncc(C(F)(F)F)cc1Cl Clc1ccccc1[*:1] O=C(N1N=NN[C@H]1c1ncc(cc1Cl)C(F)(F)F)[*:1]
O=C(c1ccccc1Cl)N1N=NN[C@H]1c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] O=C(c1ccccc1Cl)N1N=NN[C@H]1c1ncc(cc1Cl)[*:1]
CCc1cc2c(n1Cc1ccccc1)CCC[C@@H]2[NH2+]CC1(CO)COC1 c1ccc(cc1)[*:1] CCc1cc2c(CCC[C@@H]2[NH2+]CC2(CO)COC2)n1C[*:1]
CCc1cc2c(n1Cc1ccccc1)CCC[C@@H]2[NH2+]CC1(CO)COC1 c1ccc(cc1)C[*:1] CCc1cc2c(CCC[C@@H]2[NH2+]CC2(CO)COC2)n1[*:1]
CCc1cc2c(n1Cc1ccccc1)CCC[C@@H]2[NH2+]CC1(CO)COC1 OCC1(COC1)[*:1] CCc1cc2c(CCC[C@@H]2[NH2+]C[*:1])n1Cc1ccccc1
CN(Cc1ccccc1F)C[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 Fc1ccccc1[*:1] CN(C[C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)n1 Cc1cc(C)n(n1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1cccc(c1)[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(C)nn1C CCCC[*:1] Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2[*:1])n(C)n1
CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(C)nn1C CCC[*:1] Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C[*:1])n(C)n1
CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(C)nn1C Cc1cc(n(C)n1)[*:1] CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)N[*:1]
CCC[C@H]1C[C@@H]1NC(=O)CNC(=O)[C@@H](C)CC CC[C@H](C)[*:1] CCC[C@H]1C[C@@H]1NC(=O)CNC(=O)[*:1]
CCC[C@H]1C[C@@H]1NC(=O)CNC(=O)[C@@H](C)CC CCC[*:1] CC[C@H](C)C(=O)NCC(=O)N[C@H]1C[C@@H]1[*:1]
C[C@@H](O)c1cnn(Cc2ccc([N+](=O)[O-])c(F)c2)c1 O=[N+]([O-])[*:1] C[C@@H](O)c1cnn(c1)Cc1ccc(c(F)c1)[*:1]
C[C@@H](O)c1cnn(Cc2ccc([N+](=O)[O-])c(F)c2)c1 C[C@@H](O)[*:1] O=[N+]([O-])c1ccc(cc1F)Cn1cc(cn1)[*:1]
CCOC(=O)C1=C(NC(C)=O)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1ccccc1 CC(=O)N[*:1] CCOC(=O)C1=C(Oc2c(cc(Cl)c3ccccc23)[C@H]1c1ccccc1)[*:1]
CCOC(=O)C1=C(NC(C)=O)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(NC(C)=O)Oc2c(cc(Cl)c3ccccc23)[C@@H]1[*:1]
CCOC(=O)C1=C(NC(C)=O)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1ccccc1 CCOC(=O)[*:1] CC(=O)NC1Oc2c(cc(Cl)c3ccccc23)[C@H](C=1[*:1])c1ccccc1
C[C@@H](Cc1ccco1)NC(=O)Nc1ccccc1F c1coc(c1)C[*:1] C[C@@H](NC(=O)Nc1ccccc1F)[*:1]
C[C@@H](Cc1ccco1)NC(=O)Nc1ccccc1F c1coc(c1)[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccccc1F
C[C@@H](C(=O)N(C)C)N(CC(=O)[O-])CC(F)(F)F O=C([O-])[*:1] C[C@@H](C(=O)N(C)C)N(CC(F)(F)F)C[*:1]
C[C@@H](C(=O)N(C)C)N(CC(=O)[O-])CC(F)(F)F O=C([O-])C[*:1] C[C@@H](C(=O)N(C)C)N(CC(F)(F)F)[*:1]
C[C@@H](C(=O)N(C)C)N(CC(=O)[O-])CC(F)(F)F CN(C)C(=O)[*:1] C[C@@H](N(CC(=O)[O-])CC(F)(F)F)[*:1]
C[C@@H](C(=O)N(C)C)N(CC(=O)[O-])CC(F)(F)F FC(F)(F)[*:1] C[C@@H](C(=O)N(C)C)N(CC(=O)[O-])C[*:1]
C[C@@H](C(=O)N(C)C)N(CC(=O)[O-])CC(F)(F)F FC(F)(F)C[*:1] C[C@@H](C(=O)N(C)C)N(CC(=O)[O-])[*:1]
CC(C)N(Cc1csc(COc2ccccc2)n1)C(=O)c1ccccc1 c1ccc(cc1)OC[*:1] CC(C)N(Cc1csc(n1)[*:1])C(=O)c1ccccc1
CC(C)N(Cc1csc(COc2ccccc2)n1)C(=O)c1ccccc1 CC(C)[*:1] O=C(c1ccccc1)N(Cc1csc(COc2ccccc2)n1)[*:1]
CC(C)N(Cc1csc(COc2ccccc2)n1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(Cc1csc(CO[*:1])n1)C(=O)c1ccccc1
CC(C)N(Cc1csc(COc2ccccc2)n1)C(=O)c1ccccc1 c1ccc(cc1)O[*:1] CC(C)N(Cc1csc(C[*:1])n1)C(=O)c1ccccc1
CC(C)N(Cc1csc(COc2ccccc2)n1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(Cc1csc(COc2ccccc2)n1)C(=O)[*:1]
CC(C)N(C)C(=O)c1cnn2c(-c3ccccc3)ccnc12 c1ccc(cc1)[*:1] CC(C)N(C)C(=O)c1cnn2c(ccnc12)[*:1]
CC(C)N(C)C(=O)c1cnn2c(-c3ccccc3)ccnc12 CC(C)[*:1] CN(C(=O)c1cnn2c(ccnc12)-c1ccccc1)[*:1]
CC(C)N(C)C(=O)c1cnn2c(-c3ccccc3)ccnc12 CC(C)N(C)C(=O)[*:1] c1ccc(cc1)-c1ccnc2c(cnn12)[*:1]
O=C(NCCSc1ccccc1)c1scnc1C1CC1 c1ccc(cc1)[*:1] O=C(NCCS[*:1])c1scnc1C1CC1
O=C(NCCSc1ccccc1)c1scnc1C1CC1 C1CC1[*:1] O=C(NCCSc1ccccc1)c1scnc1[*:1]
CC[C@H](CSC)NC(=O)NCC(=O)N1CCCC1 CSC[*:1] CC[C@H](NC(=O)NCC(=O)N1CCCC1)[*:1]
C=CCCC[C@H](C)OC(=O)[C@@H]1Cc2ccccc2N1C(C)=O C=CC[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)O[C@@H](C)CC[*:1]
C=CCCC[C@H](C)OC(=O)[C@@H]1Cc2ccccc2N1C(C)=O C=CCCC[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)O[C@@H](C)[*:1]
C=CCCC[C@H](C)OC(=O)[C@@H]1Cc2ccccc2N1C(C)=O C=CCCC[C@H](C)[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)O[*:1]
C=CCCC[C@H](C)OC(=O)[C@@H]1Cc2ccccc2N1C(C)=O C=CCC[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)O[C@@H](C)C[*:1]
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 O=[N+]([O-])c1ccc(cc1)[*:1] N#C/C(=C/c1ccccc1OC[*:1])C(=O)c1ccccc1
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] N#CC(=Cc1ccccc1OCc1ccc(cc1)[N+](=O)[O-])[*:1]
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C/c1ccccc1OCc1ccc(cc1)[N+](=O)[O-])C(=O)[*:1]
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 O=[N+]([O-])[*:1] N#C/C(=C/c1ccccc1OCc1ccc(cc1)[*:1])C(=O)c1ccccc1
Cc1sc(NC(=O)/C=C/c2ccccc2Cl)c(C(=O)OC(C)C)c1C CC(C)OC(=O)[*:1] Cc1sc(NC(=O)/C=C/c2ccccc2Cl)c(c1C)[*:1]
Cc1sc(NC(=O)/C=C/c2ccccc2Cl)c(C(=O)OC(C)C)c1C CC(C)[*:1] Cc1sc(NC(=O)/C=C/c2ccccc2Cl)c(C(=O)O[*:1])c1C
Cc1sc(NC(=O)/C=C/c2ccccc2Cl)c(C(=O)OC(C)C)c1C Clc1ccccc1[*:1] Cc1sc(NC(=O)C=C[*:1])c(C(=O)OC(C)C)c1C
Brc1ccc(-n2nnnc2[C@H]2C=NN=C2c2ccccc2)cc1 c1ccc(cc1)[*:1] Brc1ccc(cc1)-n1nnnc1[C@H]1C=NN=C1[*:1]
Brc1ccc(-n2nnnc2[C@H]2C=NN=C2c2ccccc2)cc1 Brc1ccc(cc1)[*:1] C1=NN=C(c2ccccc2)[C@H]1c1nnnn1[*:1]
O[C@H]1CCC[C@H](C[NH2+][C@H](c2ccccn2)C2CCCC2)C1 c1ccc(nc1)[*:1] O[C@H]1CCC[C@H](C[NH2+][C@H](C2CCCC2)[*:1])C1
O[C@H]1CCC[C@H](C[NH2+][C@H](c2ccccn2)C2CCCC2)C1 C1CCC(C1)[*:1] O[C@H]1CCC[C@H](C[NH2+][C@H](c2ccccn2)[*:1])C1
CCO[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-n3cncn3)cc2)C1 c1ncn(n1)[*:1] CCO[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CCO[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-n3cncn3)cc2)C1 CCO[*:1] O=C(Nc1ccc(cc1)-n1cncn1)C(=O)N1CCC[C@H](C1)[*:1]
O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ncoc1[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(NCc1[nH+]ccn1CC[*:1])c1ncoc1[C@@H]1CCCO1
O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ncoc1[C@@H]1CCCO1 c1ccc(cc1)C[*:1] O=C(NCc1[nH+]ccn1C[*:1])c1ncoc1[C@@H]1CCCO1
O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ncoc1[C@@H]1CCCO1 c1ccc(cc1)CC[*:1] O=C(NCc1[nH+]ccn1[*:1])c1ncoc1[C@@H]1CCCO1
COC(=O)c1ccc(COc2ccc([C@H]3CC(c4ccccc4)=Nc4ncnn43)cc2)cc1 COC(=O)c1ccc(cc1)C[*:1] c1ccc(cc1)C1C[C@H](c2ccc(cc2)O[*:1])n2ncnc2N=1
COC(=O)c1ccc(COc2ccc([C@H]3CC(c4ccccc4)=Nc4ncnn43)cc2)cc1 COC(=O)c1ccc(cc1)[*:1] c1ccc(cc1)C1C[C@H](c2ccc(cc2)OC[*:1])n2ncnc2N=1
COC(=O)c1ccc(COc2ccc([C@H]3CC(c4ccccc4)=Nc4ncnn43)cc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)COc1ccc(cc1)[C@H]1CC(=Nc2ncnn21)[*:1]
COC(=O)c1ccc(COc2ccc([C@H]3CC(c4ccccc4)=Nc4ncnn43)cc2)cc1 COC(=O)[*:1] c1ccc(cc1)C1C[C@H](c2ccc(cc2)OCc2ccc(cc2)[*:1])n2ncnc2N=1
C[C@H](NC(=O)[C@@]1(C)CCCO1)c1nc(-c2ccncc2)n[nH]1 c1cc(ccn1)[*:1] C[C@H](NC(=O)[C@@]1(C)CCCO1)c1nc(n[nH]1)[*:1]
COCCOc1ccc(CNC(=O)N2CCOc3ccccc3C2)cc1 COCCO[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCOc2ccccc2C1
COCCOc1ccc(CNC(=O)N2CCOc3ccccc3C2)cc1 COC[*:1] O=C(NCc1ccc(cc1)OC[*:1])N1CCOc2ccccc2C1
COCCOc1ccc(CNC(=O)N2CCOc3ccccc3C2)cc1 COCC[*:1] O=C(NCc1ccc(cc1)O[*:1])N1CCOc2ccccc2C1
O=C(CSc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)SC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)[*:1]
O=C(CSc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CSc1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CSc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)S[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(CSc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CS[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(CCc1nc2ccccc2c(=O)[nH]1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCc1nc2ccccc2c(=O)[nH]1)O[*:1]
C[C@H]1CCc2nc(/C(C#N)=C/c3ccco3)sc2C1 c1coc(c1)[*:1] C[C@H]1CCc2nc(sc2C1)C(C#N)=C[*:1]
C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)CO1 O=[N+]([O-])[*:1] C[C@@H]1CN(Cc2ccc(cc2[*:1])C(N)=O)C(C)(C)CO1
C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)CO1 NC(=O)[*:1] C[C@@H]1CN(Cc2ccc(cc2[N+](=O)[O-])[*:1])C(C)(C)CO1
COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2)cc(OC)c1OC Brc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C[NH2+][C@H](C)[*:1]
Cc1ncccc1C[NH2+]Cc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] Cc1ncccc1C[NH2+]Cc1ccnc(c1)[*:1]
Cc1ncccc1C[NH2+]Cc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] Cc1ncccc1C[NH2+]Cc1ccnc(c1)O[*:1]
Cc1ncccc1C[NH2+]Cc1ccnc(OC2CCC2)c1 Cc1ncccc1[*:1] c1cc(cc(n1)OC1CCC1)C[NH2+]C[*:1]
Cc1nc([C@@H](NC(=O)Nc2ccccc2)c2ccccc2F)no1 Fc1ccccc1[*:1] Cc1nc(no1)[C@@H](NC(=O)Nc1ccccc1)[*:1]
Cc1nc([C@@H](NC(=O)Nc2ccccc2)c2ccccc2F)no1 Cc1nc(no1)[*:1] O=C(Nc1ccccc1)N[C@@H](c1ccccc1F)[*:1]
Cc1nc([C@@H](NC(=O)Nc2ccccc2)c2ccccc2F)no1 c1ccc(cc1)[*:1] Cc1nc(no1)[C@@H](NC(=O)N[*:1])c1ccccc1F
O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)N1CCN(CC1)[*:1]
O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(c2ccccc2F)CC1 Fc1ccc(cc1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1F
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N[C@@H](C)[*:1]
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N[C@@H](C)C[*:1]
CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN2CCOCC2)cc1 CC(=O)[*:1] C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(cc1)[*:1]
CN(C)C(=O)Sc1cccc(CNc2cc(F)cc(F)c2)c1 CN(C)C(=O)S[*:1] Fc1cc(F)cc(c1)NCc1cccc(c1)[*:1]
Cc1ccccc1-n1c(C)nn(CN2CCN(c3ccccc3F)CC2)c1=S Fc1ccccc1[*:1] Cc1ccccc1-n1c(C)nn(CN2CCN(CC2)[*:1])c1=S
Cc1ccccc1-n1c(C)nn(CN2CCN(c3ccccc3F)CC2)c1=S Cc1ccccc1[*:1] Cc1nn(CN2CCN(CC2)c2ccccc2F)c(=S)n1[*:1]
CC(C)COc1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 c1ccc(cc1)[*:1] CC(C)COc1ccc(cc1)[C@@H]1CC(=O)N(c2c1sc(=O)n2C)[*:1]
CC(C)COc1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 CC(C)C[*:1] Cn1c2c(sc1=O)[C@@H](CC(=O)N2c1ccccc1)c1ccc(cc1)O[*:1]
CC(C)COc1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 CC(C)[*:1] Cn1c2c(sc1=O)[C@@H](CC(=O)N2c1ccccc1)c1ccc(cc1)OC[*:1]
CC(C)COc1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 CC(C)CO[*:1] Cn1c2c(sc1=O)[C@@H](CC(=O)N2c1ccccc1)c1ccc(cc1)[*:1]
CCOc1cc(NC(=O)c2oc(C)nc2C)ccc1OC Cc1nc(C)c(o1)[*:1] CCOc1cc(ccc1OC)NC(=O)[*:1]
CCOc1cc(NC(=O)c2oc(C)nc2C)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])NC(=O)c1oc(C)nc1C
COc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 COc1ccccc1[*:1] O=C(C=C[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
COc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1/C=C/C(=O)N1CCN(CC1)S(=O)(=O)C[*:1]
COc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] COc1ccccc1/C=C/C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc2c1CC[C@H](C)C2 c1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)C(C#N)=C[*:1])sc2C[C@@H](C)CCc21
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc2c1CC[C@H](C)C2 CCOC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)/C(C#N)=C/c1ccccc1)c2[*:1]
CCSC1(CNC(=O)/C=C/c2cccnc2)CCOCC1 CCS[*:1] O=C(/C=C/c1cccnc1)NCC1(CCOCC1)[*:1]
CCSC1(CNC(=O)/C=C/c2cccnc2)CCOCC1 c1cncc(c1)[*:1] CCSC1(CCOCC1)CNC(=O)C=C[*:1]
C[NH+]1CCC(NC(=O)c2cnc(Cc3ccccc3)s2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)NC(=O)c1cnc(C[*:1])s1
C[NH+]1CCC(NC(=O)c2cnc(Cc3ccccc3)s2)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCC(CC1)NC(=O)c1cnc(s1)[*:1]
COc1nc(C)ccc1CNS(=O)(=O)Cc1ccccc1C Cc1ccccc1[*:1] COc1nc(C)ccc1CNS(=O)(=O)C[*:1]
N#Cc1c(NC(=O)COC(=O)c2nccnc2N)sc2c1CCCCC2 Nc1nccnc1[*:1] N#Cc1c(NC(=O)COC(=O)[*:1])sc2CCCCCc21
C[C@H]1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)C[C@H]1O O=C(N[*:1])c1ccco1 C[C@H]1CCN(C[C@H]1O)C(=O)c1cccc(c1)[*:1]
C[C@H]1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)C[C@H]1O c1coc(c1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)c1cccc(c1)NC(=O)[*:1]
N#Cc1cc(NC(=O)c2occc2CSc2ccccc2)ccc1F c1ccc(cc1)SC[*:1] N#Cc1cc(ccc1F)NC(=O)c1occc1[*:1]
N#Cc1cc(NC(=O)c2occc2CSc2ccccc2)ccc1F c1ccc(cc1)S[*:1] N#Cc1cc(ccc1F)NC(=O)c1occc1C[*:1]
N#Cc1cc(NC(=O)c2occc2CSc2ccccc2)ccc1F c1ccc(cc1)[*:1] N#Cc1cc(ccc1F)NC(=O)c1occc1CS[*:1]
CCC[C@H]1CC[C@@H](C[NH3+])[C@H]([NH+]2CCCC2)C1 CCC[*:1] [NH3+]C[C@@H]1CC[C@@H](C[C@H]1[NH+]1CCCC1)[*:1]
Cn1ccnc1[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)NCc1ccc2OCOc2c1)[*:1]
Cn1ccnc1[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 Cn1ccnc1[*:1] O=C(NCc1ccc2OCOc2c1)N[C@@H](c1ccc(F)cc1)[*:1]
Cn1ccnc1[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 c1cc2OCOc2cc1[*:1] Cn1ccnc1[C@@H](NC(=O)NC[*:1])c1ccc(F)cc1
Cn1c(CCNC(=O)Cc2ccc(F)cc2F)n[nH]c1=S Cn1c(n[nH]c1=S)[*:1] O=C(Cc1ccc(F)cc1F)NCC[*:1]
CC(C)(C)c1cccc(NN)c1 CC(C)(C)[*:1] NNc1cccc(c1)[*:1]
Cc1ccc(C)c(-c2nc(NC(=S)NC(=O)c3ccco3)sc2C)c1 Cc1ccc(C)c(c1)[*:1] Cc1sc(nc1[*:1])NC(=S)NC(=O)c1ccco1
Cc1ccc(C)c(-c2nc(NC(=S)NC(=O)c3ccco3)sc2C)c1 c1coc(c1)[*:1] Cc1ccc(C)c(c1)-c1nc(NC(=S)NC(=O)[*:1])sc1C
CCN(CC)C(=O)c1ccc(NC(=O)c2cc(COC)on2)cc1 COC[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)c1cc(on1)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)c2cc(COC)on2)cc1 COCc1cc(no1)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)c2cc(COC)on2)cc1 CCN(CC)C(=O)[*:1] COCc1cc(no1)C(=O)Nc1ccc(cc1)[*:1]
COc1cc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc(Cl)c1OC Fc1ccc(c(F)c1)[*:1] COc1cc(cc(Cl)c1OC)C[NH2+][C@H](C)c1cnn(c1C)[*:1]
CC[NH+](CC)CCn1/c(=N/C(=O)C[C@H]2CCS(=O)(=O)C2)[nH]c2ccccc21 O=S1(=O)CC[C@@H](C1)[*:1] CC[NH+](CC)CCn1/c(=N/C(=O)C[*:1])[nH]c2ccccc21
CC[NH+](CC)CCn1/c(=N/C(=O)C[C@H]2CCS(=O)(=O)C2)[nH]c2ccccc21 O=S1(=O)CC[C@@H](C1)C[*:1] CC[NH+](CC)CCn1/c(=N/C(=O)[*:1])[nH]c2ccccc21
O=C([O-])CCOc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C([O-])CCOc1ccccc1[*:1]
O=C([O-])CCOc1ccccc1C(F)(F)F O=C([O-])C[*:1] FC(F)(F)c1ccccc1OC[*:1]
O=C([O-])CCOc1ccccc1C(F)(F)F O=C([O-])CC[*:1] FC(F)(F)c1ccccc1O[*:1]
O=C([O-])CCOc1ccccc1C(F)(F)F O=C([O-])[*:1] FC(F)(F)c1ccccc1OCC[*:1]
O[C@@](c1cnc(NC2CCCCC2)s1)(c1nc2ccccc2s1)C(F)(F)F FC(F)(F)[*:1] O[C@@](c1cnc(NC2CCCCC2)s1)(c1nc2ccccc2s1)[*:1]
O[C@@](c1cnc(NC2CCCCC2)s1)(c1nc2ccccc2s1)C(F)(F)F C1CCC(CC1)N[*:1] O[C@@](c1cnc(s1)[*:1])(c1nc2ccccc2s1)C(F)(F)F
O[C@@](c1cnc(NC2CCCCC2)s1)(c1nc2ccccc2s1)C(F)(F)F c1ccc2sc(nc2c1)[*:1] O[C@@](c1cnc(NC2CCCCC2)s1)(C(F)(F)F)[*:1]
O[C@@](c1cnc(NC2CCCCC2)s1)(c1nc2ccccc2s1)C(F)(F)F C1CCC(CC1)[*:1] O[C@@](c1cnc(N[*:1])s1)(c1nc2ccccc2s1)C(F)(F)F
Fc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nnnn21 Clc1ccc(cc1)[*:1] Fc1ccccc1[C@@H]1C[C@H](Nc2nnnn21)[*:1]
Fc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nnnn21 Fc1ccccc1[*:1] Clc1ccc(cc1)[C@H]1C[C@H](n2nnnc2N1)[*:1]
Cc1cccc(OCc2nnc(SCCS(C)(=O)=O)o2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)CCSc1nnc(CO[*:1])o1
Cc1cccc(OCc2nnc(SCCS(C)(=O)=O)o2)c1 CS(=O)(=O)CC[*:1] Cc1cccc(c1)OCc1nnc(o1)S[*:1]
Cc1cccc(OCc2nnc(SCCS(C)(=O)=O)o2)c1 CS(=O)(=O)CCS[*:1] Cc1cccc(c1)OCc1nnc(o1)[*:1]
Cc1cccc(OCc2nnc(SCCS(C)(=O)=O)o2)c1 CS(=O)(=O)C[*:1] Cc1cccc(c1)OCc1nnc(o1)SC[*:1]
Cc1cccc(OCc2nnc(SCCS(C)(=O)=O)o2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)OCc1nnc(o1)SCC[*:1]
CC(C)[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1c(Cl)cccc1Cl C[S@](=O)[*:1] CC(C)[C@H]([NH2+]C[C@@H](C)[*:1])c1c(Cl)cccc1Cl
CC(C)[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1c(Cl)cccc1Cl CC(C)[*:1] C[C@H](C[NH2+][C@H](c1c(Cl)cccc1Cl)[*:1])[S@](C)=O
COCCOc1cccc(NC(=O)C2CCN(c3ncccn3)CC2)c1 COC[*:1] O=C(Nc1cccc(c1)OC[*:1])C1CCN(CC1)c1ncccn1
COCCOc1cccc(NC(=O)C2CCN(c3ncccn3)CC2)c1 COCC[*:1] O=C(Nc1cccc(c1)O[*:1])C1CCN(CC1)c1ncccn1
COCCOc1cccc(NC(=O)C2CCN(c3ncccn3)CC2)c1 COCCO[*:1] O=C(Nc1cccc(c1)[*:1])C1CCN(CC1)c1ncccn1
COCCOc1cccc(NC(=O)C2CCN(c3ncccn3)CC2)c1 c1cnc(nc1)[*:1] COCCOc1cccc(c1)NC(=O)C1CCN(CC1)[*:1]
COc1cccc(N(C(=O)c2cccc(Cl)c2C)C2=NCCS2)c1 Cc1c(Cl)cccc1[*:1] COc1cccc(c1)N(C(=O)[*:1])C1=NCCS1
COc1cccc(N(C(=O)c2cccc(Cl)c2C)C2=NCCS2)c1 COc1cccc(c1)[*:1] Cc1c(Cl)cccc1C(=O)N(C1=NCCS1)[*:1]
CCSCC[C@H](C)NC(=O)N1CCC(OC)CC1 CCS[*:1] COC1CCN(CC1)C(=O)N[C@@H](C)CC[*:1]
CCSCC[C@H](C)NC(=O)N1CCC(OC)CC1 CCSC[*:1] COC1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
CCSCC[C@H](C)NC(=O)N1CCC(OC)CC1 CCSCC[*:1] COC1CCN(CC1)C(=O)N[C@@H](C)[*:1]
O=C1CC[C@@H](C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)N1 O=C1CC[C@@H](N1)[*:1] O=C(NCc1cc(Cl)c2OCCCOc2c1)[*:1]
CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)cc3)no2)c1=O Fc1ccc(cc1)[*:1] CCCCCn1c(=O)c2ccccc2n(Cc2nc(no2)[*:1])c1=O
CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)cc3)no2)c1=O CCCCC[*:1] O=c1c2ccccc2n(Cc2nc(no2)-c2ccc(F)cc2)c(=O)n1[*:1]
CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)cc3)no2)c1=O CCCC[*:1] O=c1c2ccccc2n(Cc2nc(no2)-c2ccc(F)cc2)c(=O)n1C[*:1]
CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(F)cc3)no2)c1=O CCC[*:1] O=c1c2ccccc2n(Cc2nc(no2)-c2ccc(F)cc2)c(=O)n1CC[*:1]
Cc1cc(CN(C)[C@H](c2ccccc2)[C@H]2N=NNN2c2ccccc2C)[nH]n1 Cc1ccccc1[*:1] Cc1cc(CN(C)[C@H](c2ccccc2)[C@H]2N=NNN2[*:1])[nH]n1
Cc1cc(CN(C)[C@H](c2ccccc2)[C@H]2N=NNN2c2ccccc2C)[nH]n1 c1ccc(cc1)[*:1] Cc1cc(CN(C)[C@H]([C@H]2N=NNN2c2ccccc2C)[*:1])[nH]n1
Cc1cc(CN(C)[C@H](c2ccccc2)[C@H]2N=NNN2c2ccccc2C)[nH]n1 Cc1cc([nH]n1)[*:1] Cc1ccccc1N1NN=N[C@@H]1[C@@H](c1ccccc1)N(C)C[*:1]
CCCCCC[C@@H](C(=O)[O-])c1ccccc1C CCCC[*:1] Cc1ccccc1[C@@H](CC[*:1])C(=O)[O-]
CCCCCC[C@@H](C(=O)[O-])c1ccccc1C O=C([O-])[*:1] CCCCCC[C@@H](c1ccccc1C)[*:1]
CCCCCC[C@@H](C(=O)[O-])c1ccccc1C CCC[*:1] Cc1ccccc1[C@@H](CCC[*:1])C(=O)[O-]
CCCCCC[C@@H](C(=O)[O-])c1ccccc1C CCCCC[*:1] Cc1ccccc1[C@@H](C[*:1])C(=O)[O-]
Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2F)n1 Cc1cc(C)n(n1)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])c1ccc(cc1)SC(F)F
Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2F)n1 FC(F)S[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)NC(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2F)n1 FC(F)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)NC(=O)c1ccc(cc1)S[*:1]
N#Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c(F)c1 C1CC1[*:1] N#Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C2)[*:1])c(F)c1
O=C(NC[C@H](O)COc1ccc(F)cc1)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] O=C(NC[C@H](O)COc1ccc(F)cc1)c1cnc(s1)[*:1]
O=C(NC[C@H](O)COc1ccc(F)cc1)c1cnc([C@H]2CCCO2)s1 Fc1ccc(cc1)[*:1] O=C(NC[C@H](O)CO[*:1])c1cnc(s1)[C@H]1CCCO1
O=C(NC[C@H](O)COc1ccc(F)cc1)c1cnc([C@H]2CCCO2)s1 Fc1ccc(cc1)O[*:1] O=C(NC[C@H](O)C[*:1])c1cnc(s1)[C@H]1CCCO1
COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3Cl)S2)c(OC)c1 Clc1ccccc1[*:1] COc1ccc(c(c1)OC)[C@@H]1Nn2c(nnc2[*:1])S1
O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](COCc2ccccc2)C1 c1ccc(cc1)CO[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CC[C@H](C1)C[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](COCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CC[C@@H](COC[*:1])C1
O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](COCc2ccccc2)C1 O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])N1CC[C@@H](COCc2ccccc2)C1
O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](COCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N1CC[C@@H](CO[*:1])C1
CCc1ccc(OCC(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 CCc1ccc(cc1)[*:1] CN(C(=O)CO[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
CCc1ccc(OCC(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CCc1ccc(cc1)OCC(=O)N(C)[C@H]1CCCC[C@H]1[*:1]
CC(=O)c1ccccc1NC(=O)c1csc(-c2ncccn2)n1 c1cnc(nc1)[*:1] CC(=O)c1ccccc1NC(=O)c1csc(n1)[*:1]
CC(=O)c1ccccc1NC(=O)c1csc(-c2ncccn2)n1 CC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1csc(n1)-c1ncccn1
Cc1ncccc1NC(=O)N1CCCCC[C@H]1CC(C)C CC(C)[*:1] Cc1ncccc1NC(=O)N1CCCCC[C@H]1C[*:1]
Cc1ncccc1NC(=O)N1CCCCC[C@H]1CC(C)C Cc1ncccc1[*:1] CC(C)C[C@@H]1CCCCCN1C(=O)N[*:1]
Cc1ncccc1NC(=O)N1CCCCC[C@H]1CC(C)C CC(C)C[*:1] Cc1ncccc1NC(=O)N1CCCCC[C@@H]1[*:1]
COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)N(C)Cc1ccccc1C CC(=O)[*:1] COc1cc(ccc1O[C@H](C)C(=O)N(C)Cc1ccccc1C)[*:1]
COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)N(C)Cc1ccccc1C Cc1ccccc1C[*:1] COc1cc(ccc1O[C@H](C)C(=O)N(C)[*:1])C(C)=O
COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)N(C)Cc1ccccc1C Cc1ccccc1[*:1] COc1cc(ccc1O[C@H](C)C(=O)N(C)C[*:1])C(C)=O
CC[C@H](C)n1c(S[C@@H]2CCCCNC2=O)nc2sc3c(c2c1=O)CCCCC3 CC[C@H](C)[*:1] O=C1NCCCC[C@H]1Sc1nc2sc3CCCCCc3c2c(=O)n1[*:1]
C[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)[*:1]
COC[C@H](C)NC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C COC[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C COC[C@H](C)[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[*:1]
O=C(O[C@@H](C1CCCCC1)C(F)(F)F)c1ccnnc1 C1CCC(CC1)[*:1] O=C(O[C@@H](C(F)(F)F)[*:1])c1ccnnc1
O=C(O[C@@H](C1CCCCC1)C(F)(F)F)c1ccnnc1 c1cc(cnn1)[*:1] O=C(O[C@@H](C1CCCCC1)C(F)(F)F)[*:1]
O=C(O[C@@H](C1CCCCC1)C(F)(F)F)c1ccnnc1 FC(F)(F)[*:1] O=C(O[C@@H](C1CCCCC1)[*:1])c1ccnnc1
Cc1ccccc1-c1nnc(C[S@](=O)Cc2ncoc2C(C)C)o1 CC(C)[*:1] Cc1ccccc1-c1nnc(C[S@](=O)Cc2ncoc2[*:1])o1
Cc1ccccc1-c1nnc(C[S@](=O)Cc2ncoc2C(C)C)o1 Cc1ccccc1[*:1] CC(C)c1ocnc1C[S@@](=O)Cc1nnc(o1)[*:1]
Cc1ccccc1-c1nnc(C[S@](=O)Cc2ncoc2C(C)C)o1 CC(C)c1ocnc1[*:1] Cc1ccccc1-c1nnc(C[S@](=O)C[*:1])o1
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2CO)cc1 OCc1ccccc1[*:1] C[C@@H]1C[C@H]1C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
O=C(Nc1ccn(Cc2ccncc2)n1)C1CC1 C1CC1[*:1] O=C(Nc1ccn(Cc2ccncc2)n1)[*:1]
O=C(Nc1ccn(Cc2ccncc2)n1)C1CC1 c1cc(ccn1)[*:1] O=C(Nc1ccn(C[*:1])n1)C1CC1
O=C(Nc1ccn(Cc2ccncc2)n1)C1CC1 O=C(N[*:1])C1CC1 c1cc(ccn1)Cn1ccc(n1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCCC3)C2)s1 Cc1ccc(s1)[*:1] O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCc1cccc(CC)c1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C CCc1cccc(CC)c1[*:1] CC(C)n1c(nc2c1c(=O)n(C)c(=O)n2C)SCC(=O)N[*:1]
CCc1cccc(CC)c1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C CC(C)[*:1] CCc1cccc(CC)c1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1C O=[N+]([O-])[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)[N-]c1cc(c(F)cc1F)[*:1]
CCN1C(=S)N[C@@H](c2ccccc2OC(F)F)C(C(=O)OC)=C1C COC(=O)[*:1] CCN1C(=S)N[C@H](C(=C1C)[*:1])c1ccccc1OC(F)F
CCN1C(=S)N[C@@H](c2ccccc2OC(F)F)C(C(=O)OC)=C1C FC(F)O[*:1] CCN1C(=S)N[C@H](C(C(=O)OC)=C1C)c1ccccc1[*:1]
CCN1C(=S)N[C@@H](c2ccccc2OC(F)F)C(C(=O)OC)=C1C FC(F)[*:1] CCN1C(=S)N[C@H](C(C(=O)OC)=C1C)c1ccccc1O[*:1]
O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(c1cc(-c2ccccc2)c(s1)N1CCOCC1)N1CCN(CC1)[*:1]
O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCN(c2ccccc2O)CC1 C1CN(CCO1)[*:1] O=C(c1cc(-c2ccccc2)c(s1)[*:1])N1CCN(CC1)c1ccccc1O
O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCN(c2ccccc2O)CC1 c1ccc(cc1)[*:1] O=C(c1cc(c(s1)N1CCOCC1)[*:1])N1CCN(CC1)c1ccccc1O
CC[C@H](Br)C(=O)Nc1nc2ccc(C(C)C)cc2s1 CC[C@H](Br)[*:1] CC(C)c1ccc2nc(NC(=O)[*:1])sc2c1
CC[C@H](Br)C(=O)Nc1nc2ccc(C(C)C)cc2s1 CC(C)[*:1] CC[C@H](Br)C(=O)Nc1nc2ccc(cc2s1)[*:1]
O=C(CCc1nc(-c2ccsc2)no1)NCc1cccc2ccccc12 c1cc(cs1)[*:1] O=C(CCc1nc(no1)[*:1])NCc1cccc2ccccc12
COc1cc(F)ccc1NC(=O)c1cnn(-c2ccncc2)c1C c1cc(ccn1)[*:1] COc1cc(F)ccc1NC(=O)c1cnn(c1C)[*:1]
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O c1coc(c1)[*:1] CCOC(=O)c1c(csc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)[*:1]
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O CCOC(=O)[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1scc(-c2ccco2)c1[*:1]
CC(=O)NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 CC(=O)NC(=O)[*:1] Clc1ccc(-c2ccc(o2)[*:1])c(Br)c1
Cc1ncsc1CN(C)[C@@]1(C[NH3+])CSCC(C)(C)C1 Cc1ncsc1[*:1] CN(C[*:1])[C@@]1(C[NH3+])CSCC(C)(C)C1
O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC2 O=[N+]([O-])[*:1] O=C(NCc1cccc(c1)[*:1])Nc1ccc2CCCc2c1
COc1ccc(C(=O)N2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)cc1 COc1ccc(cc1)[*:1] COc1cc(cc(OC)c1O)CN1CCN(CC1)C(=O)[*:1]
COc1ccccc1[C@H]1C(C(=O)OC[C@H]2CCCO2)=C(C)NC2=C1C(=O)CCC2 O=C(OC[C@H]1CCCO1)[*:1] COc1ccccc1[C@@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
COc1ccccc1[C@H]1C(C(=O)OC[C@H]2CCCO2)=C(C)NC2=C1C(=O)CCC2 C1CO[C@H](C1)C[*:1] COc1ccccc1[C@H]1C(C(=O)O[*:1])=C(C)NC2CCCC(=O)C=21
COc1ccccc1[C@H]1C(C(=O)OC[C@H]2CCCO2)=C(C)NC2=C1C(=O)CCC2 C1CO[C@H](C1)[*:1] COc1ccccc1[C@H]1C(C(=O)OC[*:1])=C(C)NC2CCCC(=O)C=21
COc1ccccc1[C@H]1C(C(=O)OC[C@H]2CCCO2)=C(C)NC2=C1C(=O)CCC2 COc1ccccc1[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)OC[C@H]1CCCO1)[*:1]
CCC[NH2+][C@H](CC)c1ccc(-c2cscc2Br)cc1 CCC[*:1] CC[C@@H]([NH2+][*:1])c1ccc(cc1)-c1cscc1Br
CCC[NH2+][C@H](CC)c1ccc(-c2cscc2Br)cc1 Brc1cscc1[*:1] CCC[NH2+][C@H](CC)c1ccc(cc1)[*:1]
CCC[C@H]1N=C2C(=O)N(C)C(=O)N=C2N1CCc1ccccc1 c1ccc(cc1)C[*:1] CCC[C@H]1N=C2C(=O)N(C)C(=O)N=C2N1C[*:1]
CCC[C@H]1N=C2C(=O)N(C)C(=O)N=C2N1CCc1ccccc1 c1ccc(cc1)[*:1] CCC[C@H]1N=C2C(=O)N(C)C(=O)N=C2N1CC[*:1]
CCC[C@H]1N=C2C(=O)N(C)C(=O)N=C2N1CCc1ccccc1 CCC[*:1] CN1C(=O)N=C2C(=N[C@@H](N2CCc2ccccc2)[*:1])C1=O
CC(C)c1ccc(S(=O)(=O)OCC(F)(F)F)cc1 CC(C)[*:1] O=S(=O)(OCC(F)(F)F)c1ccc(cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)OCC(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)OC[*:1]
CC(C)c1ccc(S(=O)(=O)OCC(F)(F)F)cc1 FC(F)(F)C[*:1] CC(C)c1ccc(cc1)S(=O)(=O)O[*:1]
O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC[C@@H]1[*:1]
CCOc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)OCCCO3)cc1 CCO[*:1] C[C@H](NC(=O)Nc1ccc2OCCCOc2c1)c1ccc(cc1)[*:1]
CC(C)N(C[C@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1)C(=O)OC(C)(C)C c1ccc(cc1)[*:1] CC(C)N(C[C@H]1CCCN(C1)c1ncnc2c1cnn2[*:1])C(=O)OC(C)(C)C
CC(C)N(C[C@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)N(C[C@H]1CCCN(C1)c1ncnc2c1cnn2-c1ccccc1)C(=O)O[*:1]
CC(C)N(C[C@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1)C(=O)OC(C)(C)C CC(C)[*:1] CC(C)(C)OC(=O)N(C[C@H]1CCCN(C1)c1ncnc2c1cnn2-c1ccccc1)[*:1]
CC(C)N(C[C@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1)C(=O)OC(C)(C)C CC(C)N(C(=O)OC(C)(C)C)[*:1] c1ccc(cc1)-n1ncc2c(ncnc21)N1CCC[C@@H](C1)C[*:1]
COc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2oc(nc2c1)-c1cccnc1)[*:1]
COc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)C(=O)Nc1ccc2oc(nc2c1)[*:1]
Cc1ccc([C@H](C(=O)NCCS(C)(=O)=O)N(C)C)cc1 CS(=O)(=O)CC[*:1] Cc1ccc(cc1)[C@H](C(=O)N[*:1])N(C)C
Cc1ccc([C@H](C(=O)NCCS(C)(=O)=O)N(C)C)cc1 CS(=O)(=O)C[*:1] Cc1ccc(cc1)[C@H](C(=O)NC[*:1])N(C)C
Cc1ccc([C@H](C(=O)NCCS(C)(=O)=O)N(C)C)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)[C@H](C(=O)NCC[*:1])N(C)C
Cc1ccc([C@H](C(=O)NCCS(C)(=O)=O)N(C)C)cc1 CN(C)[*:1] Cc1ccc(cc1)[C@H](C(=O)NCCS(C)(=O)=O)[*:1]
CCC[NH2+]C[C@@H](c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1ccccc1[C@H](C[NH2+][*:1])[C@@H]1CCS(=O)(=O)C1
CCCc1nn(C)c2c1nc(N)n2-c1cccc(Cl)c1Cl CCC[*:1] Cn1nc(c2nc(N)n(-c3cccc(Cl)c3Cl)c21)[*:1]
O=C(Nc1cccc(NC(=O)C2CC2)c1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 O=C(N[*:1])C1CC1 O=C(Nc1cccc(c1)[*:1])N[C@H]1CCC[C@H](C1)C(F)(F)F
O=C(Nc1cccc(NC(=O)C2CC2)c1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 C1CC1[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])N[C@H]1CCC[C@H](C1)C(F)(F)F
O=C(Nc1cccc(NC(=O)C2CC2)c1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1cccc(c1)NC(=O)C1CC1)N[C@H]1CCC[C@@H](C1)[*:1]
Cc1ccc(OCC(=O)Nc2ccnn2Cc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)OCC(=O)Nc1ccnn1C[*:1]
Cc1ccc(OCC(=O)Nc2ccnn2Cc2ccco2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)OCC(=O)Nc1ccnn1[*:1]
Cc1ccc(OCC(=O)Nc2ccnn2Cc2ccco2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccnn1Cc1ccco1
CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)N[C@@H]2CCc3ccccc32)n1 CC(C)CO[C@@H](C)[*:1] CN(Cc1nc(no1)[*:1])C(=O)N[C@@H]1CCc2ccccc21
CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)N[C@@H]2CCc3ccccc32)n1 CC(C)CO[*:1] C[C@@H](c1noc(CN(C)C(=O)N[C@@H]2CCc3ccccc32)n1)[*:1]
CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)N[C@@H]2CCc3ccccc32)n1 CC(C)[*:1] C[C@H](OC[*:1])c1noc(CN(C)C(=O)N[C@@H]2CCc3ccccc32)n1
CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)N[C@@H]2CCc3ccccc32)n1 c1ccc2c(c1)CC[C@H]2[*:1] CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)N[*:1])n1
CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)N[C@@H]2CCc3ccccc32)n1 CC(C)C[*:1] C[C@H](O[*:1])c1noc(CN(C)C(=O)N[C@@H]2CCc3ccccc32)n1
C[C@@H](CNc1ncnc2[nH]cnc12)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNc1ncnc2[nH]cnc12)O[*:1]
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CC[C@H](C)[C@@H](O)C1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CC[C@H](C)[C@@H](O)C1
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CC[C@H](C)[C@@H](O)C1 CC(C)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)[C@H](NC(=O)c1cccs1)[*:1]
C[NH2+]C1CCC([NH+](C)CCC(=O)Nc2cc(C)on2)CC1 Cc1cc(no1)[*:1] C[NH2+]C1CCC(CC1)[NH+](C)CCC(=O)N[*:1]
COc1cc([N+](=O)[O-])cc(C#N)c1OC O=[N+]([O-])[*:1] COc1cc(cc(C#N)c1OC)[*:1]
CSc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ncn(C)n1 Cn1cnc(n1)[*:1] CSc1ccc2c(c1)CCC[C@@H]2[NH2+]C[*:1]
O=C(O[C@@H]1CCOC1=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)C[*:1] O=C(O[C@@H]1CCOC1=O)c1nn(c(=O)c2ccccc12)[*:1]
O=C(O[C@@H]1CCOC1=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 c1ccc(cc1)[*:1] O=C(O[C@@H]1CCOC1=O)c1nn(C[*:1])c(=O)c2ccccc12
Cc1cccc2c(=O)n(CC(=O)N(CCC(F)(F)F)CC3CC3)cnc12 FC(F)(F)C[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N(CC1CC1)C[*:1]
Cc1cccc2c(=O)n(CC(=O)N(CCC(F)(F)F)CC3CC3)cnc12 FC(F)(F)[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N(CC[*:1])CC1CC1
Cc1cccc2c(=O)n(CC(=O)N(CCC(F)(F)F)CC3CC3)cnc12 FC(F)(F)CC[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N(CC1CC1)[*:1]
Cc1cccc2c(=O)n(CC(=O)N(CCC(F)(F)F)CC3CC3)cnc12 C1CC1C[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N(CCC(F)(F)F)[*:1]
Cc1cccc2c(=O)n(CC(=O)N(CCC(F)(F)F)CC3CC3)cnc12 C1CC1[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)N(CCC(F)(F)F)C[*:1]
CC(=O)c1ccc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1 CC(C)CC[*:1] CC(=O)c1ccc(cc1)C(=O)NCC1CC[NH+](CC1)[*:1]
CC(=O)c1ccc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1 CC(=O)[*:1] CC(C)CC[NH+]1CCC(CC1)CNC(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1 CC(C)C[*:1] CC(=O)c1ccc(cc1)C(=O)NCC1CC[NH+](CC1)C[*:1]
CC(=O)c1ccc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)C(=O)NCC1CC[NH+](CC1)CC[*:1]
O=C(c1ccccc1)[C@H]1CCCN(C(=O)CCn2nnnc2C[NH+]2CCOCC2)C1 O=C(c1ccccc1)[*:1] O=C(CCn1nnnc1C[NH+]1CCOCC1)N1CCC[C@@H](C1)[*:1]
O=C(c1ccccc1)[C@H]1CCCN(C(=O)CCn2nnnc2C[NH+]2CCOCC2)C1 c1ccc(cc1)[*:1] O=C(CCn1nnnc1C[NH+]1CCOCC1)N1CCC[C@@H](C1)C(=O)[*:1]
O=C(Nc1ccn(CC(F)F)n1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 FC(F)Cn1ccc(n1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
O=C(Nc1ccn(CC(F)F)n1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 FC(F)C[*:1] O=C(Nc1ccn(n1)[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
O=C(Nc1ccn(CC(F)F)n1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 FC(F)[*:1] O=C(Nc1ccn(C[*:1])n1)N1CCC[C@H](C1)c1nnc2CCCCCn21
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 FC(F)(F)O[*:1] O=C(NCc1ccc(cc1)[*:1])[C@@H]1CCCN(C1)C(=O)N1CCCC1
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)O[*:1])[C@@H]1CCCN(C1)C(=O)N1CCCC1
COC(=O)[C@H](NC(=O)c1cc(C(C)C)no1)c1ccc(F)c(F)c1 CC(C)[*:1] COC(=O)[C@H](NC(=O)c1cc(no1)[*:1])c1ccc(F)c(F)c1
COC(=O)[C@H](NC(=O)c1cc(C(C)C)no1)c1ccc(F)c(F)c1 CC(C)c1cc(on1)[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC(=O)[C@H](NC(=O)c1cc(C(C)C)no1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC(=O)[C@H](NC(=O)c1cc(no1)C(C)C)[*:1]
COC(=O)[C@H](NC(=O)c1cc(C(C)C)no1)c1ccc(F)c(F)c1 COC(=O)[*:1] CC(C)c1cc(on1)C(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
O=c1[nH]c(CSc2nc3ccccc3o2)nc2c1cnn2-c1ccccc1 c1ccc2oc(nc2c1)[*:1] O=c1[nH]c(CS[*:1])nc2c1cnn2-c1ccccc1
O=c1[nH]c(CSc2nc3ccccc3o2)nc2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]c(CSc2nc3ccccc3o2)nc2c1cnn2[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+]CC2CCC2)c1 C1CC(C1)[*:1] CC(=O)Nc1cccc(c1)[C@H](C)[NH2+]C[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+]CC2CCC2)c1 CC(=O)N[*:1] C[C@H]([NH2+]CC1CCC1)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+]CC2CCC2)c1 C1CC(C1)C[*:1] CC(=O)Nc1cccc(c1)[C@H](C)[NH2+][*:1]
CCOc1cccc2n[nH]/c(=N\C(=O)Nc3cccc(C#N)c3)n12 CCO[*:1] N#Cc1cccc(c1)NC(=O)/N=c1\[nH]nc2cccc(n12)[*:1]
CCOc1cccc2n[nH]/c(=N\C(=O)Nc3cccc(C#N)c3)n12 N#Cc1cccc(c1)[*:1] CCOc1cccc2n[nH]/c(=N\C(=O)N[*:1])n12
COc1ccc(NC(=O)N(CCC#N)CCC(F)(F)F)cc1C FC(F)(F)[*:1] COc1ccc(cc1C)NC(=O)N(CCC#N)CC[*:1]
COc1ccc(NC(=O)N(CCC#N)CCC(F)(F)F)cc1C FC(F)(F)C[*:1] COc1ccc(cc1C)NC(=O)N(CCC#N)C[*:1]
COc1ccc(NC(=O)N(CCC#N)CCC(F)(F)F)cc1C N#CC[*:1] COc1ccc(cc1C)NC(=O)N(CCC(F)(F)F)C[*:1]
COc1ccc(NC(=O)N(CCC#N)CCC(F)(F)F)cc1C FC(F)(F)CC[*:1] COc1ccc(cc1C)NC(=O)N(CCC#N)[*:1]
COc1ccc(NC(=O)N(CCC#N)CCC(F)(F)F)cc1C N#CCC[*:1] COc1ccc(cc1C)NC(=O)N(CCC(F)(F)F)[*:1]
COc1cccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2Cl)[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1ccc(Cl)cc1Cl)[*:1]
COc1cccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2Cl)[NH+](C)C)c1 Clc1ccc(c(Cl)c1)[*:1] COc1cccc(c1)[C@@H](CNC(=O)N[*:1])[NH+](C)C
COC(=O)c1ccc(CN(C)Cc2nc(N)c3c(C)c(C)sc3n2)cc1 COC(=O)[*:1] Cc1sc2nc(CN(C)Cc3ccc(cc3)[*:1])nc(N)c2c1C
C#CC[C@H](N)c1cncc(Br)c1 C#CC[*:1] N[C@H](c1cncc(Br)c1)[*:1]
Cc1cc(C)cc(CCNC(=O)Nc2ccccc2CC(N)=O)c1 NC(=O)C[*:1] Cc1cc(C)cc(c1)CCNC(=O)Nc1ccccc1[*:1]
Cc1cc(C)cc(CCNC(=O)Nc2ccccc2CC(N)=O)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)CCNC(=O)Nc1ccccc1C[*:1]
Cc1cc(C)cc(CCNC(=O)Nc2ccccc2CC(N)=O)c1 Cc1cc(C)cc(c1)[*:1] NC(=O)Cc1ccccc1NC(=O)NCC[*:1]
O=C(NCCS(=O)(=O)c1ccccc1)c1ccncc1Cl Clc1cnccc1[*:1] O=C(NCCS(=O)(=O)c1ccccc1)[*:1]
O=C(NCCS(=O)(=O)c1ccccc1)c1ccncc1Cl c1ccc(cc1)[*:1] O=C(NCCS(=O)(=O)[*:1])c1ccncc1Cl
CNC(=O)[C@@H](C#N)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 CNC(=O)[*:1] N#C[C@@H](C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)[*:1]
COc1cccc(NC(=O)N[C@H](C)c2cc3cccc(OC)c3o2)c1 COc1cccc(c1)[*:1] COc1cccc2cc(oc12)[C@@H](C)NC(=O)N[*:1]
Cc1nnc(N[C@H]2CCCN(c3cnn(C)c3)C2)s1 Cn1cc(cn1)[*:1] Cc1nnc(N[C@H]2CCCN(C2)[*:1])s1
Cc1nnc(N[C@H]2CCCN(c3cnn(C)c3)C2)s1 Cc1nnc(s1)[*:1] Cn1cc(cn1)N1CCC[C@@H](C1)N[*:1]
CC[C@H]1CC[C@H]2O[C@@H](c3ccccc3)C[NH2+][C@@H]2C1 c1ccc(cc1)[*:1] CC[C@H]1CC[C@H]2O[C@@H](C[NH2+][C@@H]2C1)[*:1]
COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 COC(=O)N[*:1] COc1ccccc1NS(=O)(=O)c1ccc(cc1)[*:1]
CS[C@H](C)C[NH2+][C@@H](C)c1nc2c(s1)CCCC2 CS[C@H](C)[*:1] C[C@H]([NH2+]C[*:1])c1nc2CCCCc2s1
CCc1ccsc1CNC(=O)[C@H](NC(=O)c1ccco1)C(C)C c1coc(c1)[*:1] CCc1ccsc1CNC(=O)[C@H](NC(=O)[*:1])C(C)C
CCc1ccsc1CNC(=O)[C@H](NC(=O)c1ccco1)C(C)C CC(C)[*:1] CCc1ccsc1CNC(=O)[C@H](NC(=O)c1ccco1)[*:1]
CCc1ccsc1CNC(=O)[C@H](NC(=O)c1ccco1)C(C)C CCc1ccsc1[*:1] CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[*:1]
CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(NC(C)=O)cc2)C1 CC(=O)N[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)C(=O)c1ccc(cc1)[*:1]
CN1C(=O)C[C@H](c2ccccc2)C2=C1CC(C)(C)CC2=O c1ccc(cc1)[*:1] CN1C(=O)C[C@H](C2C(=O)CC(C)(C)CC=21)[*:1]
CC(=O)Nc1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)c1 CC(=O)N[*:1] Cc1ccc2c(Nc3cccc(c3)[*:1])c(cnc2n1)C(=O)N1CCCC[C@H]1C
CC(=O)Nc1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)c1 CC(=O)Nc1cccc(c1)[*:1] Cc1ccc2c(N[*:1])c(cnc2n1)C(=O)N1CCCC[C@H]1C
CCNc1cc(C)ccc1C(=O)N[C@@H]1CCCC[C@@H]1O CCN[*:1] Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)c(c1)[*:1]
Cc1ccc([N-]S(C)(=O)=O)cc1/N=C/c1ccc(N(C)C)cc1 CN(C)[*:1] Cc1ccc(cc1/N=C/c1ccc(cc1)[*:1])[N-]S(C)(=O)=O
O=C(Cc1ccc(F)cc1)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1 Fc1ccc(cc1)[*:1] O=C(C[*:1])N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1
O=C(Cc1ccc(F)cc1)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1 C1CN(CCO1)[*:1] O=C(Cc1ccc(F)cc1)N(CC[*:1])c1nc2c(Cl)cccc2s1
O=C(Cc1ccc(F)cc1)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1 C1CN(CCO1)C[*:1] O=C(Cc1ccc(F)cc1)N(C[*:1])c1nc2c(Cl)cccc2s1
O=C(Cc1ccc(F)cc1)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1 C1CN(CCO1)CC[*:1] O=C(Cc1ccc(F)cc1)N(c1nc2c(Cl)cccc2s1)[*:1]
O=C(Cc1ccc(F)cc1)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1 Fc1ccc(cc1)C[*:1] O=C(N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1)[*:1]
CC1CCN(c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccco3)cn2)CC1 c1coc(c1)C[*:1] CC1CCN(CC1)c1ccc(cn1)C(=O)N(CC[NH+](C)C)[*:1]
CC1CCN(c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccco3)cn2)CC1 c1coc(c1)[*:1] CC1CCN(CC1)c1ccc(cn1)C(=O)N(CC[NH+](C)C)C[*:1]
CC1CCN(c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccco3)cn2)CC1 CC1CCN(CC1)[*:1] C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(nc1)[*:1]
C[C@@H]1CCN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)C[C@H]1O NC(=O)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)/C=C/c1ccc(cc1)OC[*:1]
C[C@@H]1CCN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)C[C@H]1O NC(=O)C[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)/C=C/c1ccc(cc1)O[*:1]
C[C@@H]1CCN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)C[C@H]1O NC(=O)CO[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)/C=C/c1ccc(cc1)[*:1]
CN(C)C(=O)CN(CCO)c1ccccc1 CN(C)C(=O)[*:1] OCCN(C[*:1])c1ccccc1
CN(C)C(=O)CN(CCO)c1ccccc1 OCC[*:1] CN(C)C(=O)CN(c1ccccc1)[*:1]
CC(C)[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 CC(C)[C@@](C)(O)[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)NC[*:1]
CC(C)[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 CC(C)[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)NC[C@@](C)(O)[*:1]
CC(C)[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 CC(C)[C@@](C)(O)C[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)N[*:1]
C[C@@H](C(=O)Nc1ccnn1C1CCCC1)n1c(=O)oc2ccccc21 C1CCC(C1)[*:1] C[C@@H](C(=O)Nc1ccnn1[*:1])n1c(=O)oc2ccccc21
CO[C@@H](C)c1cccc(NC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 CC(C)[*:1] CO[C@@H](C)c1cccc(c1)NC(=O)N[C@H](c1nc(no1)C1CC1)[*:1]
CO[C@@H](C)c1cccc(NC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 C1CC1c1noc(n1)[*:1] CO[C@@H](C)c1cccc(c1)NC(=O)N[C@H](C(C)C)[*:1]
CO[C@@H](C)c1cccc(NC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 C1CC1[*:1] CO[C@@H](C)c1cccc(c1)NC(=O)N[C@H](c1nc(no1)[*:1])C(C)C
CO[C@@H](C)c1cccc(NC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 CO[C@@H](C)[*:1] CC(C)[C@H](NC(=O)Nc1cccc(c1)[*:1])c1nc(no1)C1CC1
CCC[C@@H](C)c1nnc(NC(=O)c2ccccc2C[NH+](C)C)s1 CCC[C@@H](C)[*:1] C[NH+](C)Cc1ccccc1C(=O)Nc1nnc(s1)[*:1]
CCC[C@@H](C)c1nnc(NC(=O)c2ccccc2C[NH+](C)C)s1 CCC[*:1] C[C@@H](c1nnc(NC(=O)c2ccccc2C[NH+](C)C)s1)[*:1]
Cc1nn(CCO)c(C)c1CNC[C@H]1CCC(C)(C)c2ccccc21 OCC[*:1] Cc1nn(c(C)c1CNC[C@H]1CCC(C)(C)c2ccccc21)[*:1]
Cc1ccc(OC/C([O-])=N/S(=O)(=O)c2ccc(C)cc2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)/N=C(\[O-])CO[*:1]
Cc1ccc(OC/C([O-])=N/S(=O)(=O)c2ccc(C)cc2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(OC/C([O-])=N/S(=O)(=O)[*:1])c(C)c1
CC(=O)NCc1ccc(C(=O)Nc2cc(F)ccc2Cl)s1 CC(=O)NC[*:1] O=C(Nc1cc(F)ccc1Cl)c1ccc(s1)[*:1]
CC(=O)NCc1ccc(C(=O)Nc2cc(F)ccc2Cl)s1 CC(=O)N[*:1] O=C(Nc1cc(F)ccc1Cl)c1ccc(C[*:1])s1
C[C@@H]1CCC[C@@H]([NH+]2CCN(CCN3C(=O)CCC3=O)CC2)C1 O=C1CCC(=O)N1[*:1] C[C@@H]1CCC[C@H](C1)[NH+]1CCN(CC1)CC[*:1]
O=C(NCC/N=C(\O)c1ncccc1O)c1cc2cc(F)ccc2[nH]1 Oc1cccnc1[*:1] O=C(NCC/N=C(\O)[*:1])c1cc2cc(F)ccc2[nH]1
CC(C)c1ccc(NC(=O)CSCc2ccnn2C)cc1 Cn1nccc1C[*:1] CC(C)c1ccc(cc1)NC(=O)CS[*:1]
CC(C)c1ccc(NC(=O)CSCc2ccnn2C)cc1 Cn1nccc1[*:1] CC(C)c1ccc(cc1)NC(=O)CSC[*:1]
CC(C)c1ccc(NC(=O)CSCc2ccnn2C)cc1 CC(C)[*:1] Cn1nccc1CSCC(=O)Nc1ccc(cc1)[*:1]
C[C@@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1cnc2ccsc2c1 FC(F)(F)[*:1] C[C@@H](NC[C@H](O)c1cccc(c1)[*:1])c1cnc2ccsc2c1
CC(=O)c1ccc(C(=O)NC[C@](C)(O)c2ccsc2)cc1 CC(=O)[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)[*:1])c1ccsc1
CC(=O)c1ccc(C(=O)NC[C@](C)(O)c2ccsc2)cc1 c1cc(cs1)[*:1] CC(=O)c1ccc(cc1)C(=O)NC[C@](C)(O)[*:1]
O=C(C1CC1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 C1CC1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl)[*:1]
COc1ccc(CNC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)CNC(=O)c1cc(n[nH]1)[*:1]
O=C1C[C@@H](c2ccc(F)cc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 c1csc(c1)[*:1] O=C1C[C@H](C2C(=O)C[C@H](CC=2N1)[*:1])c1ccc(F)cc1F
O=C1C[C@@H](c2ccc(F)cc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 Fc1ccc(c(F)c1)[*:1] O=C1C[C@@H](C2C(=O)C[C@@H](CC=2N1)c1cccs1)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 CCC[*:1] O=C(N[C@H]1C[C@H]1[*:1])[C@@H]1C[C@@H]1c1ccc(Cl)cc1
CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 CCC[C@@H]1C[C@H]1[*:1] O=C(N[*:1])[C@@H]1C[C@@H]1c1ccc(Cl)cc1
Cc1cc(C)n(C[C@H]2CN(CCn3cncn3)CCO2)n1 Cc1cc(C)n(n1)[*:1] c1ncn(CCN2CCO[C@H](C2)C[*:1])n1
Cc1cc(C)n(C[C@H]2CN(CCn3cncn3)CCO2)n1 c1ncn(CC[*:1])n1 Cc1cc(C)n(C[C@H]2CN(CCO2)[*:1])n1
Cc1cc(C)n(C[C@H]2CN(CCn3cncn3)CCO2)n1 c1ncn(C[*:1])n1 Cc1cc(C)n(C[C@H]2CN(CCO2)C[*:1])n1
Cc1cc(C)n(C[C@H]2CN(CCn3cncn3)CCO2)n1 c1ncn(n1)[*:1] Cc1cc(C)n(C[C@H]2CN(CCO2)CC[*:1])n1
COC(=O)Nc1nc(CC(=O)Nc2cccc([N-]S(C)(=O)=O)c2)cs1 COC(=O)N[*:1] CS(=O)(=O)[N-]c1cccc(c1)NC(=O)Cc1csc(n1)[*:1]
CCCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@@H]1c1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)[C@H]1Oc2nc(nnc2-c2cc(Cl)ccc2N1C(=O)[*:1])SC
CCCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCCC(=O)N1c2ccc(Cl)cc2-c2nnc(nc2O[C@H]1[*:1])SC
Cc1cc(C)cc(NC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1cc(C)cc(c1)NC(=O)N1C[C@H](O)C[C@H]1[*:1]
CN(CC1CC([O-])C1)C(=O)NCCOCC(=O)[O-] O=C([O-])CO[*:1] CN(CC1CC([O-])C1)C(=O)NCC[*:1]
CN(CC1CC([O-])C1)C(=O)NCCOCC(=O)[O-] O=C([O-])COC[*:1] CN(CC1CC([O-])C1)C(=O)NC[*:1]
CN(CC1CC([O-])C1)C(=O)NCCOCC(=O)[O-] [O-]C1CC(C1)[*:1] CN(C[*:1])C(=O)NCCOCC(=O)[O-]
CN(CC1CC([O-])C1)C(=O)NCCOCC(=O)[O-] O=C([O-])C[*:1] CN(CC1CC([O-])C1)C(=O)NCCO[*:1]
CN(CC1CC([O-])C1)C(=O)NCCOCC(=O)[O-] [O-]C1CC(C1)C[*:1] CN(C(=O)NCCOCC(=O)[O-])[*:1]
CN(CC1CC([O-])C1)C(=O)NCCOCC(=O)[O-] O=C([O-])[*:1] CN(CC1CC([O-])C1)C(=O)NCCOC[*:1]
Cc1cc(CC(=O)Nc2cccc(COc3cccc(F)c3)c2)no1 Fc1cccc(c1)[*:1] Cc1cc(CC(=O)Nc2cccc(c2)CO[*:1])no1
Cc1cc(CC(=O)Nc2cccc(COc3cccc(F)c3)c2)no1 Fc1cccc(c1)O[*:1] Cc1cc(CC(=O)Nc2cccc(c2)C[*:1])no1
Cc1cc(CC(=O)Nc2cccc(COc3cccc(F)c3)c2)no1 Cc1cc(no1)[*:1] O=C(C[*:1])Nc1cccc(c1)COc1cccc(F)c1
Cc1cc(CC(=O)Nc2cccc(COc3cccc(F)c3)c2)no1 Cc1cc(C[*:1])no1 O=C(Nc1cccc(c1)COc1cccc(F)c1)[*:1]
COc1cc(SC)ccc1C(=O)NCc1cccnc1 c1cncc(c1)[*:1] COc1cc(ccc1C(=O)NC[*:1])SC
Cc1ccc(CNC(=S)N[C@@H](C)C(C)(C)C)cc1 C[C@@H](C(C)(C)C)[*:1] Cc1ccc(cc1)CNC(=S)N[*:1]
Cc1ccc(CNC(=S)N[C@@H](C)C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)CNC(=S)N[C@@H](C)[*:1]
O=C(NCc1n[nH]c(=O)[nH]1)c1cccc(-n2cccn2)c1 O=c1[nH]nc([nH]1)[*:1] O=C(NC[*:1])c1cccc(c1)-n1cccn1
O=C(NCc1n[nH]c(=O)[nH]1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] O=C(NCc1n[nH]c(=O)[nH]1)c1cccc(c1)[*:1]
O=C(NCc1n[nH]c(=O)[nH]1)c1cccc(-n2cccn2)c1 O=c1[nH]nc(C[*:1])[nH]1 O=C(N[*:1])c1cccc(c1)-n1cccn1
Cc1ccc(NC(=O)C2=C[C@@H](S(=O)(=O)N3CCCCC3)C=N2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N[*:1])C1=C[C@H](C=N1)S(=O)(=O)N1CCCCC1
[NH3+][C@@H]1CCCCC[C@@H]1C(=O)OCCOc1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@@H]1CCCCC[C@@H]1C(=O)OCCO[*:1]
C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)-n1cncn1)c1cccc(c1)[*:1]
C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1cccc([N+](=O)[O-])c1 c1ncn(n1)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC(=O)c1ccccc1OCCOn1nnc2ccccc21 CC(=O)[*:1] c1ccc(c(c1)OCCOn1nnc2ccccc21)[*:1]
CO/N=C/C(C#N)=C\c1cc(C(=O)c2ccccc2)cn1C c1ccc(cc1)[*:1] CO/N=C/C(C#N)=C\c1cc(cn1C)C(=O)[*:1]
CO/N=C/C(C#N)=C\c1cc(C(=O)c2ccccc2)cn1C CON=C[*:1] Cn1cc(cc1/C=C(/C#N)[*:1])C(=O)c1ccccc1
CCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(N)=S)cc1 NC(=S)NN=C[*:1] CCc1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
CCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(N)=S)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)-c1nn(cc1/C=N\NC(N)=S)[*:1]
CCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(N)=S)cc1 CCc1ccc(cc1)[*:1] NC(=S)N/N=C\c1cn(nc1[*:1])-c1ccccc1
CCCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC O=[N+]([O-])[*:1] CCCCS(=O)(=O)Nc1cc(ccc1OC)[*:1]
CCCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC CCCC[*:1] COc1ccc(cc1NS(=O)(=O)[*:1])[N+](=O)[O-]
CCCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC CCC[*:1] COc1ccc(cc1NS(=O)(=O)C[*:1])[N+](=O)[O-]
COc1cccc(N2C[C@@H](C(=O)N3CCCSC[C@H]3C[NH+](C)C)CC2=O)c1 COc1cccc(c1)[*:1] C[NH+](C)C[C@@H]1CSCCCN1C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1nc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)oc1C Cc1nc(oc1C)[*:1] O=C1CN(C(=O)N[*:1])[C@@H]2CCCC[C@@H]2N1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1-n1cccn1 CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])C(=O)Nc1cccnc1-n1cccn1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1-n1cccn1 CC(C)(C)OC(=O)N[*:1] C[C@@H](C(=O)Nc1cccnc1-n1cccn1)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1-n1cccn1 c1cnn(c1)[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1[*:1]
COc1cc(/C=C/C(=O)N2CCC2)cc(OC)c1OC O=C(N1CCC1)[*:1] COc1cc(C=C[*:1])cc(OC)c1OC
CCCCc1nnc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)s1 CCC[*:1] O=C(Nc1nnc(C[*:1])s1)C1CCN(CC1)C(=O)c1cccs1
CCCCc1nnc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)s1 c1csc(c1)[*:1] CCCCc1nnc(NC(=O)C2CCN(CC2)C(=O)[*:1])s1
CCCCc1nnc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)s1 CCCC[*:1] O=C(Nc1nnc(s1)[*:1])C1CCN(CC1)C(=O)c1cccs1
COC(=O)C[C@]1(O)C=CC(=O)c2ccccc21 COC(=O)[*:1] O=C1C=C[C@@](O)(C[*:1])c2ccccc21
COC(=O)C[C@]1(O)C=CC(=O)c2ccccc21 COC(=O)C[*:1] O=C1C=C[C@@](O)(c2ccccc21)[*:1]
COc1ccc(-c2cc3nccc(-c4cc(O)ccc4O)n3n2)cc1 Oc1ccc(O)c(c1)[*:1] COc1ccc(cc1)-c1cc2nccc(n2n1)[*:1]
COc1ccc(-c2cc3nccc(-c4cc(O)ccc4O)n3n2)cc1 COc1ccc(cc1)[*:1] Oc1ccc(O)c(c1)-c1ccnc2cc(nn12)[*:1]
COc1ccc2c(c1)C[C@@H](C(=O)N(C)CCc1cccs1)CO2 c1csc(c1)[*:1] COc1ccc2OC[C@@H](Cc2c1)C(=O)N(C)CC[*:1]
COc1ccc2c(c1)C[C@@H](C(=O)N(C)CCc1cccs1)CO2 c1csc(c1)CC[*:1] COc1ccc2OC[C@@H](Cc2c1)C(=O)N(C)[*:1]
COc1ccc2c(c1)C[C@@H](C(=O)N(C)CCc1cccs1)CO2 c1csc(c1)C[*:1] COc1ccc2OC[C@@H](Cc2c1)C(=O)N(C)C[*:1]
CC(C)n1nccc1NC(=O)COc1cc(F)ccc1F CC(C)[*:1] O=C(COc1cc(F)ccc1F)Nc1ccnn1[*:1]
Cc1ccc(C[NH+]2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)cc1 Cc1ccc(cc1)[*:1] O=C1NC2(CC[NH+](CC2)C[*:1])N=C1c1cccc(Cl)c1
Cc1ccc(C[NH+]2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)cc1 Clc1cccc(c1)[*:1] Cc1ccc(cc1)C[NH+]1CCC2(CC1)N=C(C(=O)N2)[*:1]
Cc1ccc(C[NH+]2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)cc1 Cc1ccc(cc1)C[*:1] O=C1NC2(CC[NH+](CC2)[*:1])N=C1c1cccc(Cl)c1
COCCOc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1Cl Cc1n[nH]c(C)c1[*:1] COCCOc1ccc(cc1Cl)NC(=O)N1CCC[C@H]1[*:1]
COCCOc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1Cl COCCO[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(c(Cl)c1)[*:1]
COCCOc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1Cl COCC[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(O[*:1])c(Cl)c1
COCCOc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1Cl COC[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(OC[*:1])c(Cl)c1
O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] O=C(c1ccc(s1)[C@H]1CCC[NH2+]1)N1CCC(CC1)[*:1]
O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(c1ccc(s1)[C@H]1CCC[NH2+]1)N1CCC(CC1)C[*:1]
Cc1cc(C)c2cc(C(=O)N(C)Cc3nccn3Cc3ccccc3)[nH]c2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)N(C)Cc1nccn1C[*:1]
Cc1cc(C)c2cc(C(=O)N(C)Cc3nccn3Cc3ccccc3)[nH]c2c1 c1ccc(cc1)C[*:1] Cc1cc(C)c2cc([nH]c2c1)C(=O)N(C)Cc1nccn1[*:1]
C[C@@H](C[NH2+]C1CC1)[C@@H](C)N1CCSCC1 C1CC1[*:1] C[C@@H](C[NH2+][*:1])[C@@H](C)N1CCSCC1
C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CC(C)(C)OC(=O)N[*:1] C[C@H](C[*:1])N(C)C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 CC(C)(C)[*:1] C[C@H](CNC(=O)O[*:1])N(C)C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
Cc1n[nH]cc1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1n[nH]cc1C[NH2+]C[C@H]1CCCO[C@@H]1[*:1]
CCCC(=O)Nc1cccc(NC(=O)c2cccc(OC)c2OC)c1 CCCC(=O)N[*:1] COc1cccc(C(=O)Nc2cccc(c2)[*:1])c1OC
CCCC(=O)Nc1cccc(NC(=O)c2cccc(OC)c2OC)c1 CCC[*:1] COc1cccc(C(=O)Nc2cccc(c2)NC(=O)[*:1])c1OC
CS(=O)(=O)CCNC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CS(=O)(=O)[*:1] O=C(NCC[*:1])N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
CS(=O)(=O)CCNC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CS(=O)(=O)CC[*:1] O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N[*:1]
CS(=O)(=O)CCNC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CS(=O)(=O)C[*:1] O=C(NC[*:1])N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
CCCCc1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccccc4)c(=O)[nH]c23)cc1 CCCC[*:1] Cn1cc(C(=O)Nc2ccc(cc2)[*:1])c2[nH]c(=O)n(-c3ccccc3)c(=O)c21
CCCCc1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccccc4)c(=O)[nH]c23)cc1 c1ccc(cc1)[*:1] CCCCc1ccc(cc1)NC(=O)c1cn(C)c2c(=O)n(c(=O)[nH]c12)[*:1]
CCCCc1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccccc4)c(=O)[nH]c23)cc1 CCC[*:1] Cn1cc(C(=O)Nc2ccc(cc2)C[*:1])c2[nH]c(=O)n(-c3ccccc3)c(=O)c21
CCCCc1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccccc4)c(=O)[nH]c23)cc1 CCCCc1ccc(cc1)[*:1] Cn1cc(C(=O)N[*:1])c2[nH]c(=O)n(-c3ccccc3)c(=O)c21
CC1(C)CCC(CNC(=O)CCOCC(F)(F)F)CC1 FC(F)(F)C[*:1] CC1(C)CCC(CC1)CNC(=O)CCO[*:1]
CC1(C)CCC(CNC(=O)CCOCC(F)(F)F)CC1 FC(F)(F)[*:1] CC1(C)CCC(CC1)CNC(=O)CCOC[*:1]
CC1(C)CCC(CNC(=O)CCOCC(F)(F)F)CC1 FC(F)(F)CO[*:1] CC1(C)CCC(CC1)CNC(=O)CC[*:1]
O=C1C[C@@H](c2cccc(O)c2)c2c(c(C(=O)[O-])cn2-c2cccc(C(F)(F)F)c2)N1 O=C([O-])[*:1] O=C1C[C@@H](c2cccc(O)c2)c2c(N1)c(cn2-c1cccc(c1)C(F)(F)F)[*:1]
O=C1C[C@@H](c2cccc(O)c2)c2c(c(C(=O)[O-])cn2-c2cccc(C(F)(F)F)c2)N1 FC(F)(F)c1cccc(c1)[*:1] O=C1C[C@@H](c2cccc(O)c2)c2c(N1)c(cn2[*:1])C(=O)[O-]
O=C1C[C@@H](c2cccc(O)c2)c2c(c(C(=O)[O-])cn2-c2cccc(C(F)(F)F)c2)N1 FC(F)(F)[*:1] O=C1C[C@@H](c2cccc(O)c2)c2c(N1)c(cn2-c1cccc(c1)[*:1])C(=O)[O-]
O=C1C[C@@H](c2cccc(O)c2)c2c(c(C(=O)[O-])cn2-c2cccc(C(F)(F)F)c2)N1 Oc1cccc(c1)[*:1] O=C1C[C@@H](c2c(N1)c(cn2-c1cccc(c1)C(F)(F)F)C(=O)[O-])[*:1]
O=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1nc2ncccn2n1 Clc1ccc(cc1Cl)[*:1] O=C(Nc1ccn(C[*:1])n1)c1nc2ncccn2n1
[NH3+][C@@H](c1ccsc1)c1ccc(Cl)c2ccccc12 c1cc(cs1)[*:1] [NH3+][C@@H](c1ccc(Cl)c2ccccc12)[*:1]
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cncc(C)c1 c1ccc(cc1)[*:1] CCOC(=O)[C@H](C[*:1])NC(=O)c1cncc(C)c1
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cncc(C)c1 CCOC(=O)[*:1] Cc1cncc(c1)C(=O)N[C@@H](Cc1ccccc1)[*:1]
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cncc(C)c1 Cc1cncc(c1)[*:1] CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[*:1]
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cncc(C)c1 c1ccc(cc1)C[*:1] CCOC(=O)[C@H](NC(=O)c1cncc(C)c1)[*:1]
O=C(NC1CC1)[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@@H](Nc1cccc(c1)CN1CCCCC1=O)[*:1]
O=C(NC1CC1)[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 O=C1CCCCN1C[*:1] O=C(NC1CC1)[C@@H](Nc1cccc(c1)[*:1])c1ccccc1
O=C(NC1CC1)[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 C1CC1[*:1] O=C(N[*:1])[C@@H](Nc1cccc(c1)CN1CCCCC1=O)c1ccccc1
O=C(NC1CC1)[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 O=C(NC1CC1)[*:1] O=C1CCCCN1Cc1cccc(c1)N[C@@H](c1ccccc1)[*:1]
O=C(NC1CC1)[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 O=C1CCCCN1[*:1] O=C(NC1CC1)[C@@H](Nc1cccc(c1)C[*:1])c1ccccc1
CC(=O)Nc1ccc(C(=O)NCCc2nc3ccccc3s2)cc1 CC(=O)N[*:1] O=C(NCCc1nc2ccccc2s1)c1ccc(cc1)[*:1]
O=C([O-])C[C@@H](c1ccc(Cl)c(Cl)c1)N1Cc2ccccc2C1=O O=C([O-])[*:1] O=C1c2ccccc2CN1[C@@H](C[*:1])c1ccc(Cl)c(Cl)c1
O=C([O-])C[C@@H](c1ccc(Cl)c(Cl)c1)N1Cc2ccccc2C1=O O=C([O-])C[*:1] O=C1c2ccccc2CN1[C@H](c1ccc(Cl)c(Cl)c1)[*:1]
c1ccc(-n2cnnc2C[NH2+][C@H](c2cccs2)C2CC2)cc1 C1CC1[*:1] c1ccc(cc1)-n1cnnc1C[NH2+][C@H](c1cccs1)[*:1]
c1ccc(-n2cnnc2C[NH2+][C@H](c2cccs2)C2CC2)cc1 c1ccc(cc1)[*:1] c1csc(c1)[C@@H]([NH2+]Cc1nncn1[*:1])C1CC1
c1ccc(-n2cnnc2C[NH2+][C@H](c2cccs2)C2CC2)cc1 c1csc(c1)[*:1] c1ccc(cc1)-n1cnnc1C[NH2+][C@H](C1CC1)[*:1]
O=[N+]([O-])c1nn(C/C(Cl)=C/Cl)cc1Br Cl/C=C(\Cl)[*:1] O=[N+]([O-])c1nn(cc1Br)C[*:1]
O=[N+]([O-])c1nn(C/C(Cl)=C/Cl)cc1Br O=[N+]([O-])[*:1] Cl/C=C(\Cl)Cn1cc(Br)c(n1)[*:1]
O=C(COc1ccc(Br)cc1CO)NCc1ccco1 c1coc(c1)C[*:1] O=C(COc1ccc(Br)cc1CO)N[*:1]
O=C(COc1ccc(Br)cc1CO)NCc1ccco1 c1coc(c1)[*:1] O=C(COc1ccc(Br)cc1CO)NC[*:1]
COC(=O)C1CCN(C(=O)COc2ccc3c(c2)CCCC3=O)CC1 COC(=O)[*:1] O=C1CCCc2cc(ccc21)OCC(=O)N1CCC(CC1)[*:1]
N#Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
CCN(CC(=O)c1ccc(Br)s1)Cc1ccccn1 Brc1ccc(s1)[*:1] CCN(CC(=O)[*:1])Cc1ccccn1
CCN(CC(=O)c1ccc(Br)s1)Cc1ccccn1 c1ccc(nc1)[*:1] CCN(CC(=O)c1ccc(Br)s1)C[*:1]
[NH3+]C[C@H]1Cc2cc(-c3ncccc3C(=O)N3CCCCC3)cc(Cl)c2O1 O=C(N1CCCCC1)[*:1] [NH3+]C[C@H]1Cc2cc(cc(Cl)c2O1)-c1ncccc1[*:1]
NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOCC2)c1 NS(=O)(=O)[*:1] O=C(c1cc(ccc1Cl)[*:1])N1CCOCC1
CN(CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)[*:1]
CC(=C/c1ccccc1)/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O c1ccc(cc1)[*:1] CC(=C[*:1])/C=C1/N=C(OC1=O)c1cccc(c1)[N+](=O)[O-]
CC(=C/c1ccccc1)/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O O=[N+]([O-])[*:1] CC(=C/c1ccccc1)/C=C1/N=C(OC1=O)c1cccc(c1)[*:1]
C[C@H]1C(=O)N(CC(=O)N(C)C2CCCCC2)C(=O)N1c1ccccc1 C1CCC(CC1)[*:1] C[C@H]1C(=O)N(CC(=O)N(C)[*:1])C(=O)N1c1ccccc1
C[C@H]1C(=O)N(CC(=O)N(C)C2CCCCC2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C(=O)N(CC(=O)N(C)C2CCCCC2)C(=O)N1[*:1]
COc1ccc(C(C)=O)cc1CC(=O)NCc1nc2ccccc2[nH]1 CC(=O)[*:1] COc1ccc(cc1CC(=O)NCc1nc2ccccc2[nH]1)[*:1]
O=C=Nc1cc(Cl)cc(Cl)c1 O=C=N[*:1] Clc1cc(Cl)cc(c1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2COC3(CCCCC3)N2C(=O)c2ccccc2C)C1 CCOC(=O)[*:1] Cc1ccccc1C(=O)N1[C@H](COC12CCCCC2)C(=O)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2COC3(CCCCC3)N2C(=O)c2ccccc2C)C1 Cc1ccccc1[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]1COC2(CCCCC2)N1C(=O)[*:1]
COC(C)(C)C[C@@H](C)NC(=O)NCc1ccnc(-n2ccnc2)c1 COC(C)(C)C[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)-n1ccnc1)[*:1]
COC(C)(C)C[C@@H](C)NC(=O)NCc1ccnc(-n2ccnc2)c1 c1cn(cn1)[*:1] COC(C)(C)C[C@@H](C)NC(=O)NCc1ccnc(c1)[*:1]
COC(C)(C)C[C@@H](C)NC(=O)NCc1ccnc(-n2ccnc2)c1 COC(C)(C)[*:1] C[C@H](C[*:1])NC(=O)NCc1ccnc(c1)-n1ccnc1
COCCO[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2 COCCO[*:1] C[C@H](C(=O)Nc1ccc2NC(=O)CCc2c1)[*:1]
COCCO[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2 COCCO[C@H](C)[*:1] O=C1CCc2cc(ccc2N1)NC(=O)[*:1]
COCCO[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2 COC[*:1] C[C@@H](OC[*:1])C(=O)Nc1ccc2NC(=O)CCc2c1
COCCO[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2 COCC[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc2NC(=O)CCc2c1
O=C(CCCn1cc[nH+]c1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(CCCn1cc[nH+]c1)N1CC[C@H](C1)O[*:1]
Fc1ccc(F)c2c1CCN(CCCOCC(F)(F)F)C2 FC(F)(F)[*:1] Fc1ccc(F)c2CN(CCCOC[*:1])CCc12
Fc1ccc(F)c2c1CCN(CCCOCC(F)(F)F)C2 FC(F)(F)CO[*:1] Fc1ccc(F)c2CN(CCC[*:1])CCc12
Fc1ccc(F)c2c1CCN(CCCOCC(F)(F)F)C2 FC(F)(F)C[*:1] Fc1ccc(F)c2CN(CCCO[*:1])CCc12
Fc1ccc(F)c2c1CCN(CCCOCC(F)(F)F)C2 FC(F)(F)COC[*:1] Fc1ccc(F)c2CN(CCc12)CC[*:1]
CCCC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 CCC[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)[*:1]
CCCC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 CCCC(=O)N[*:1] CN1C(=O)COc2ccc(cc21)[*:1]
Cc1cccc(NNC(=O)C2CCN(S(C)(=O)=O)CC2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)NN[*:1]
C[C@H](CCl)S(=O)(=O)N1CCN2CCCC[C@@H]2C1 C[C@H](CCl)[*:1] O=S(=O)(N1CCN2CCCC[C@@H]2C1)[*:1]
COc1ccccc1C(=O)N1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 COc1ccccc1[*:1] Cn1nc([C@@H]2CCCN(C2)C(=O)[*:1])n(-c2ccccc2)c1=O
COc1ccccc1C(=O)N1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 c1ccc(cc1)[*:1] COc1ccccc1C(=O)N1CCC[C@H](C1)c1nn(C)c(=O)n1[*:1]
Cc1ccccc1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] Cc1ccccc1[*:1] O=[N+]([O-])c1cc(ccc1NC[*:1])S(=O)(=O)N1CCOCC1
Cc1ccccc1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] O=S(=O)(N1CCOCC1)[*:1] Cc1ccccc1CNc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1ccccc1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1CNc1ccc(cc1[*:1])S(=O)(=O)N1CCOCC1
Cc1ccccc1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] Cc1ccccc1C[*:1] O=[N+]([O-])c1cc(ccc1N[*:1])S(=O)(=O)N1CCOCC1
Cc1ccccc1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] Cc1ccccc1CN[*:1] O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1
C[C@@H](Nc1cc2c(cc1Cl)NC(=O)CO2)c1ccoc1 c1cc(co1)[*:1] C[C@@H](Nc1cc2OCC(=O)Nc2cc1Cl)[*:1]
Cc1noc(C)c1NC(=O)N(CCO)[C@@H]1CCCc2ccccc21 Cc1noc(C)c1[*:1] O=C(N[*:1])N(CCO)[C@@H]1CCCc2ccccc21
Cc1noc(C)c1NC(=O)N(CCO)[C@@H]1CCCc2ccccc21 OCC[*:1] Cc1noc(C)c1NC(=O)N([C@@H]1CCCc2ccccc21)[*:1]
CCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2C)[C@@](C)(C(=O)NC2CCCCC2)C1 O=C(NC1CCCCC1)[*:1] CCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2C)[C@@](C)(C1)[*:1]
CCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2C)[C@@](C)(C(=O)NC2CCCCC2)C1 Cc1ccc(c(C)c1)[*:1] CCS(=O)(=O)N1CC(=O)N([C@](C)(C1)C(=O)NC1CCCCC1)[*:1]
CCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2C)[C@@](C)(C(=O)NC2CCCCC2)C1 C1CCC(CC1)[*:1] CCS(=O)(=O)N1CC(=O)N(c2ccc(C)cc2C)[C@](C)(C1)C(=O)N[*:1]
C[C@@H](Cl)C(=O)c1cccc([N+](=O)[O-])c1 C[C@@H](Cl)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@@H](Cl)C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](Cl)C(=O)c1cccc(c1)[*:1]
S=C(NCc1ccco1)NCc1ccco1 c1coc(c1)[*:1] S=C(NCc1ccco1)NC[*:1]
O=C(CN1CCN(CCOc2cccc(Br)c2)CC1)NC1CC1 O=C(NC1CC1)[*:1] Brc1cccc(c1)OCCN1CCN(CC1)C[*:1]
O=C(CN1CCN(CCOc2cccc(Br)c2)CC1)NC1CC1 O=C(C[*:1])NC1CC1 Brc1cccc(c1)OCCN1CCN(CC1)[*:1]
O=C(CN1CCN(CCOc2cccc(Br)c2)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CCOc2cccc(Br)c2)CC1)N[*:1]
O=C(CN1CCN(CCOc2cccc(Br)c2)CC1)NC1CC1 Brc1cccc(c1)[*:1] O=C(CN1CCN(CCO[*:1])CC1)NC1CC1
Cc1cscc1[C@H]([NH3+])CCC(F)(F)F FC(F)(F)[*:1] Cc1cscc1[C@H]([NH3+])CC[*:1]
O=C(CCSc1ccccc1)N1[C@H]2CC[C@@H]1COC2 c1ccc(cc1)[*:1] O=C(CCS[*:1])N1[C@H]2CC[C@@H]1COC2
CC(C)n1cc(CCCC(=O)Nc2ccn(C)n2)c2ccccc21 CC(C)[*:1] Cn1ccc(n1)NC(=O)CCCc1cn(c2ccccc12)[*:1]
CC(C)n1cc(CCCC(=O)Nc2ccn(C)n2)c2ccccc21 Cn1ccc(n1)[*:1] CC(C)n1cc(CCCC(=O)N[*:1])c2ccccc21
N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C(\[O-])c1ccc(NC(=O)c2ccco2)cc1 Clc1ccc(c(Cl)c1)[*:1] N#C/C(C(=O)N[*:1])=C(\[O-])c1ccc(cc1)NC(=O)c1ccco1
N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C(\[O-])c1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C(\[O-])c1ccc(cc1)[*:1]
N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C(\[O-])c1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C(\[O-])c1ccc(cc1)NC(=O)[*:1]
CCOc1cccc([C@H]([NH2+]C)[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CCOc1cccc(c1)[C@H]([NH2+]C)[*:1]
CCOc1cccc([C@H]([NH2+]C)[C@H]2CCCO2)c1 CCO[*:1] C[NH2+][C@@H](c1cccc(c1)[*:1])[C@H]1CCCO1
O=C(CCCc1ccccc1)N1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CC1 c1ccc(cc1)CCC[*:1] O=C(c1ccc([nH]c1=O)-c1ccco1)N1CCN(CC1)C(=O)[*:1]
O=C(CCCc1ccccc1)N1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CC1 c1ccc(cc1)CC[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccc([nH]c1=O)-c1ccco1
O=C(CCCc1ccccc1)N1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CC1 c1coc(c1)[*:1] O=C(CCCc1ccccc1)N1CCN(CC1)C(=O)c1ccc([nH]c1=O)[*:1]
O=C(CCCc1ccccc1)N1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CC1 c1ccc(cc1)[*:1] O=C(CCC[*:1])N1CCN(CC1)C(=O)c1ccc([nH]c1=O)-c1ccco1
O=C(CCCc1ccccc1)N1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CC1 c1ccc(cc1)C[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)c1ccc([nH]c1=O)-c1ccco1
C[C@H](C[NH2+][C@@H]1CCOc2ccc(F)cc21)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](C[NH2+][C@@H]1CCOc2ccc(F)cc21)O[*:1]
C[C@H](C[NH2+][C@@H]1CCOc2ccc(F)cc21)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](C[NH2+][C@@H]1CCOc2ccc(F)cc21)[*:1]
CCOc1ccccc1C(=O)Nc1nn2c(-c3ccc(OC)cc3)nnc2s1 COc1ccc(cc1)[*:1] CCOc1ccccc1C(=O)Nc1nn2c(nnc2s1)[*:1]
CCOc1ccccc1C(=O)Nc1nn2c(-c3ccc(OC)cc3)nnc2s1 CCO[*:1] COc1ccc(cc1)-c1nnc2sc(nn12)NC(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)Nc1nn2c(-c3ccc(OC)cc3)nnc2s1 CCOc1ccccc1[*:1] COc1ccc(cc1)-c1nnc2sc(nn12)NC(=O)[*:1]
CN(C)/C(NCc1ccccc1)=[NH+]\C[C@]1(O)CCSC1 c1ccc(cc1)[*:1] CN(C)/C(NC[*:1])=[NH+]\C[C@]1(O)CCSC1
Cc1nn(C[C@@H](CS)c2ccccc2)c(C)c1Br c1ccc(cc1)[*:1] Cc1nn(C[C@@H](CS)[*:1])c(C)c1Br
CCOC(=O)[C@H]1C(=N)NC2=CCCC[C@H]2[C@@]12C(=O)Nc1ccccc12 CCOC(=O)[*:1] N=C1NC2=CCCC[C@H]2[C@@]2(C(=O)Nc3ccccc32)[C@H]1[*:1]
CC(=O)Oc1ccc(C[NH+]2CCc3c([nH]c(N4CCC(C)CC4)nc3=O)C2)cc1 CC(=O)O[*:1] CC1CCN(CC1)c1nc(=O)c2CC[NH+](Cc3ccc(cc3)[*:1])Cc2[nH]1
CC(=O)Oc1ccc(C[NH+]2CCc3c([nH]c(N4CCC(C)CC4)nc3=O)C2)cc1 CC1CCN(CC1)[*:1] CC(=O)Oc1ccc(cc1)C[NH+]1CCc2c(C1)[nH]c(nc2=O)[*:1]
Cc1ccc(-n2cnc(N)c2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-n1cnc(N)c1C(=O)c1ccc(cc1)[*:1]
Cc1ccc(-n2cnc(N)c2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 Cc1ccc(cc1)[*:1] Nc1ncn(c1C(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCCCN1C(=O)[C@](O)(CC(=O)c2c(C)cc(C)cc2C)c2ccccc21 CCC[*:1] Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(C[*:1])c3ccccc32)c(C)c1
CCCCN1C(=O)[C@](O)(CC(=O)c2c(C)cc(C)cc2C)c2ccccc21 Cc1cc(C)c(c(C)c1)[*:1] CCCCN1C(=O)[C@](O)(CC(=O)[*:1])c2ccccc21
CCCCN1C(=O)[C@](O)(CC(=O)c2c(C)cc(C)cc2C)c2ccccc21 CCCC[*:1] Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(c3ccccc32)[*:1])c(C)c1
CC(C)CCC(=O)NNC(=O)N[C@@H](C)c1ccc(Cl)s1 CC(C)CC[*:1] C[C@H](NC(=O)NNC(=O)[*:1])c1ccc(Cl)s1
CC(C)CCC(=O)NNC(=O)N[C@@H](C)c1ccc(Cl)s1 CC(C)C[*:1] C[C@H](NC(=O)NNC(=O)C[*:1])c1ccc(Cl)s1
CC(C)CCC(=O)NNC(=O)N[C@@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC(C)CCC(=O)NNC(=O)N[C@@H](C)[*:1]
CC(C)CCC(=O)NNC(=O)N[C@@H](C)c1ccc(Cl)s1 CC(C)[*:1] C[C@H](NC(=O)NNC(=O)CC[*:1])c1ccc(Cl)s1
CC(C)(CCS(C)(=O)=O)CNc1c(Cl)cccc1C#N CS(=O)(=O)C[*:1] CC(C)(CNc1c(Cl)cccc1C#N)C[*:1]
CC(C)(CCS(C)(=O)=O)CNc1c(Cl)cccc1C#N CS(=O)(=O)CC[*:1] CC(C)(CNc1c(Cl)cccc1C#N)[*:1]
CC(C)(CCS(C)(=O)=O)CNc1c(Cl)cccc1C#N CS(=O)(=O)[*:1] CC(C)(CC[*:1])CNc1c(Cl)cccc1C#N
COc1ccccc1/C=C/C(=O)NNC(=S)Nc1ccc(F)cc1F COc1ccccc1[*:1] O=C(C=C[*:1])NNC(=S)Nc1ccc(F)cc1F
COc1ccccc1/C=C/C(=O)NNC(=S)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COc1ccccc1/C=C/C(=O)NNC(=S)N[*:1]
CC(C)C(=O)NCCCNC(=O)c1cc(-c2ccccn2)nc2ncccc12 CC(C)[*:1] O=C(NCCCNC(=O)[*:1])c1cc(nc2ncccc12)-c1ccccn1
CC(C)C(=O)NCCCNC(=O)c1cc(-c2ccccn2)nc2ncccc12 c1ccc(nc1)[*:1] CC(C)C(=O)NCCCNC(=O)c1cc(nc2ncccc12)[*:1]
CC(C)C(=O)NCCCNC(=O)c1cc(-c2ccccn2)nc2ncccc12 CC(C)C(=O)NC[*:1] O=C(NCC[*:1])c1cc(nc2ncccc12)-c1ccccn1
CC(C)C(=O)NCCCNC(=O)c1cc(-c2ccccn2)nc2ncccc12 CC(C)C(=O)NCC[*:1] O=C(NC[*:1])c1cc(nc2ncccc12)-c1ccccn1
CC(C)C(=O)NCCCNC(=O)c1cc(-c2ccccn2)nc2ncccc12 CC(C)C(=O)N[*:1] O=C(NCCC[*:1])c1cc(nc2ncccc12)-c1ccccn1
CC(C)C(=O)NCCCNC(=O)c1cc(-c2ccccn2)nc2ncccc12 CC(C)C(=O)NCCC[*:1] O=C(N[*:1])c1cc(nc2ncccc12)-c1ccccn1
[NH3+]C[C@@H](Cc1ccc(Br)cc1)C(=O)[O-] O=C([O-])[*:1] [NH3+]C[C@@H](Cc1ccc(Br)cc1)[*:1]
O[C@@]1(C[NH2+]CCSc2ccccn2)C[NH2+]CCOC1 c1ccc(nc1)[*:1] O[C@]1(C[NH2+]CCOC1)C[NH2+]CCS[*:1]
O=C(CCC(=O)c1cccs1)NCc1cc[nH+]c(N2CCCC2)c1 C1CCN(C1)[*:1] O=C(CCC(=O)c1cccs1)NCc1cc[nH+]c(c1)[*:1]
O=C(CCC(=O)c1cccs1)NCc1cc[nH+]c(N2CCCC2)c1 O=C(C[*:1])c1cccs1 O=C(C[*:1])NCc1cc[nH+]c(c1)N1CCCC1
O=C(CCC(=O)c1cccs1)NCc1cc[nH+]c(N2CCCC2)c1 O=C(c1cccs1)[*:1] O=C(CC[*:1])NCc1cc[nH+]c(c1)N1CCCC1
O=C(CCC(=O)c1cccs1)NCc1cc[nH+]c(N2CCCC2)c1 c1csc(c1)[*:1] O=C(CCC(=O)[*:1])NCc1cc[nH+]c(c1)N1CCCC1
Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN(C(=O)NCc2cccs2)C1 c1csc(c1)C[*:1] Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN(C(=O)NCc2cccs2)C1 c1csc(c1)[*:1] Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN(C1)C(=O)NC[*:1]
O=C(Cc1ccc(F)cc1F)N(C[C@@H]1CCCO1)C1CCCC1 C1CO[C@@H](C1)[*:1] O=C(Cc1ccc(F)cc1F)N(C[*:1])C1CCCC1
O=C(Cc1ccc(F)cc1F)N(C[C@@H]1CCCO1)C1CCCC1 C1CCC(C1)[*:1] O=C(Cc1ccc(F)cc1F)N(C[C@@H]1CCCO1)[*:1]
O=C(Cc1ccc(F)cc1F)N(C[C@@H]1CCCO1)C1CCCC1 C1CO[C@@H](C1)C[*:1] O=C(Cc1ccc(F)cc1F)N(C1CCCC1)[*:1]
CCOc1ccc([C@@H]([NH3+])c2n[nH]c(-c3ccco3)n2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])[C@@H]([NH3+])c1n[nH]c(n1)-c1ccco1
CCOc1ccc([C@@H]([NH3+])c2n[nH]c(-c3ccco3)n2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])[C@@H]([NH3+])c1n[nH]c(n1)-c1ccco1
CCOc1ccc([C@@H]([NH3+])c2n[nH]c(-c3ccco3)n2)cc1OCC c1coc(c1)[*:1] CCOc1ccc(cc1OCC)[C@@H]([NH3+])c1n[nH]c(n1)[*:1]
Cc1ccc([C@@H](C[NH+](C)C)N2C[C@@H](C(=O)[O-])CC2=O)cc1C O=C([O-])[*:1] Cc1ccc(cc1C)[C@@H](C[NH+](C)C)N1C[C@@H](CC1=O)[*:1]
Cc1c(-c2ccccc2)[nH+]cn1C[C@H](c1cccnc1)N1CCOCC1 c1ccc(cc1)[*:1] Cc1c([nH+]cn1C[C@H](c1cccnc1)N1CCOCC1)[*:1]
Cc1c(-c2ccccc2)[nH+]cn1C[C@H](c1cccnc1)N1CCOCC1 C1CN(CCO1)[*:1] Cc1c([nH+]cn1C[C@H](c1cccnc1)[*:1])-c1ccccc1
Cc1c(-c2ccccc2)[nH+]cn1C[C@H](c1cccnc1)N1CCOCC1 c1cncc(c1)[*:1] Cc1c([nH+]cn1C[C@H](N1CCOCC1)[*:1])-c1ccccc1
O=C(NCCCOC[C@@H]1CCOC1)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(NCCCOC[C@@H]1CCOC1)N1CC=C(CC1)[*:1]
Cc1nn(CCO)c(C)c1CN1C[C@H](CO)OC[C@@H]1C OCC[*:1] Cc1nn(c(C)c1CN1C[C@H](CO)OC[C@@H]1C)[*:1]
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12 Fc1cccc(c1)[*:1] C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
COc1cc(F)cc(NC(=O)NCc2ncn(C)n2)c1 Cn1cnc(n1)[*:1] COc1cc(F)cc(c1)NC(=O)NC[*:1]
CN(C(=O)CCc1cccc(OC2CCCC2)c1)C1CC[NH+](C)CC1 C1CCC(C1)[*:1] CN(C(=O)CCc1cccc(c1)O[*:1])C1CC[NH+](C)CC1
CN(C(=O)CCc1cccc(OC2CCCC2)c1)C1CC[NH+](C)CC1 C1CCC(C1)O[*:1] CN(C(=O)CCc1cccc(c1)[*:1])C1CC[NH+](C)CC1
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)O c1ccc(cc1)C[*:1] Cc1nc([nH]c(=O)c1CCC(=O)O)S[*:1]
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)O O=C(O)C[*:1] Cc1nc([nH]c(=O)c1C[*:1])SCc1ccccc1
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)O O=C(O)[*:1] Cc1nc([nH]c(=O)c1CC[*:1])SCc1ccccc1
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)O c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)O)SC[*:1]
Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)O O=C(O)CC[*:1] Cc1nc([nH]c(=O)c1[*:1])SCc1ccccc1
O=C(CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=c1c2c3CCCCc3sc2nc(SCC[*:1])n1-c1ccccc1
O=C(CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N1CCOCC1 O=C(CC[*:1])N1CCOCC1 O=c1c2c3CCCCc3sc2nc(S[*:1])n1-c1ccccc1
O=C(CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CCSc1nc2sc3CCCCc3c2c(=O)n1[*:1])N1CCOCC1
O=C(CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=c1c2c3CCCCc3sc2nc(SC[*:1])n1-c1ccccc1
CCOc1cc2[nH]c(=S)n([C@@H](C)CC)c(=O)c2cc1OCC CCO[*:1] CCOc1cc2c(=O)n(c(=S)[nH]c2cc1[*:1])[C@@H](C)CC
CCOc1cc2[nH]c(=S)n([C@@H](C)CC)c(=O)c2cc1OCC CC[C@H](C)[*:1] CCOc1cc2[nH]c(=S)n(c(=O)c2cc1OCC)[*:1]
CCOc1cc2[nH]c(=S)n([C@@H](C)CC)c(=O)c2cc1OCC CCO[*:1] CCOc1cc2[nH]c(=S)n(c(=O)c2cc1[*:1])[C@@H](C)CC
c1ccc(-n2cc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cn2)cc1 c1ccc(cc1)[*:1] c1cc2OCOc2cc1CN1CC[NH+](CC1)Cc1cnn(c1)[*:1]
c1ccc(-n2cc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cn2)cc1 c1cc2OCOc2cc1[*:1] c1ccc(cc1)-n1cc(cn1)C[NH+]1CCN(CC1)C[*:1]
O=C(NCc1ccncc1)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(NCc1ccncc1)N[C@@H](c1ccccc1)[*:1]
O=C(NCc1ccncc1)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(NCc1ccncc1)N[C@@H](C1CC1)[*:1]
O=C(NCc1ccncc1)N[C@@H](c1ccccc1)C1CC1 c1cc(ccn1)C[*:1] O=C(N[C@@H](c1ccccc1)C1CC1)N[*:1]
O=C(NCc1ccncc1)N[C@@H](c1ccccc1)C1CC1 c1cc(ccn1)[*:1] O=C(NC[*:1])N[C@@H](c1ccccc1)C1CC1
N#Cc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 C1CCN(C1)[*:1] N#Cc1ccc(cc1)/N=C/c1cc(Br)c(o1)[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CSC[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CSC[C@H]1[*:1]
COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)nc1 COC(=O)[*:1] O=C(c1ccc(Cl)nc1)N(CC[*:1])C[C@H]1CCCO1
COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] COC(=O)CCN(C[C@H]1CCCO1)C(=O)[*:1]
COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)nc1 C1CO[C@H](C1)C[*:1] COC(=O)CCN(C(=O)c1ccc(Cl)nc1)[*:1]
COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)nc1 COC(=O)C[*:1] O=C(c1ccc(Cl)nc1)N(C[C@H]1CCCO1)C[*:1]
COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)nc1 C1CO[C@H](C1)[*:1] COC(=O)CCN(C[*:1])C(=O)c1ccc(Cl)nc1
COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)nc1 COC(=O)CC[*:1] O=C(c1ccc(Cl)nc1)N(C[C@H]1CCCO1)[*:1]
COc1cc(NCCc2ncc(C)s2)ccc1[N+](=O)[O-] Cc1cnc(s1)[*:1] COc1cc(ccc1[N+](=O)[O-])NCC[*:1]
COc1cc(NCCc2ncc(C)s2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])NCCc1ncc(C)s1
CC(C)(C)SCCOC(=O)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] CC(C)(C)SCCOC(=O)c1cnc(s1)[*:1]
CC(C)(C)SCCOC(=O)c1cnc([C@H]2CCCO2)s1 CC(C)(C)SC[*:1] O=C(OC[*:1])c1cnc(s1)[C@H]1CCCO1
CC(C)(C)SCCOC(=O)c1cnc([C@H]2CCCO2)s1 CC(C)(C)[*:1] O=C(OCCS[*:1])c1cnc(s1)[C@H]1CCCO1
CC(C)(C)SCCOC(=O)c1cnc([C@H]2CCCO2)s1 CC(C)(C)S[*:1] O=C(OCC[*:1])c1cnc(s1)[C@H]1CCCO1
O=C(Nc1ccccc1N1CCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 C1CCN(C1)[*:1] O=C(Nc1ccccc1[*:1])C1CCC(=O)N(N=1)[C@H]1CCS(=O)(=O)C1
COC[C@H](C)OC(=O)c1csc(-c2ccccc2OC)n1 COC[*:1] COc1ccccc1-c1nc(cs1)C(=O)O[C@@H](C)[*:1]
COC[C@H](C)OC(=O)c1csc(-c2ccccc2OC)n1 COC[C@H](C)[*:1] COc1ccccc1-c1nc(cs1)C(=O)O[*:1]
O=C(NCc1cc(C2CC2)[nH]n1)c1cc2c([nH]c1=O)CCCCC2 c1c(n[nH]c1C1CC1)[*:1] O=C(NC[*:1])c1cc2CCCCCc2[nH]c1=O
O=C(NCc1cc(C2CC2)[nH]n1)c1cc2c([nH]c1=O)CCCCC2 C1CC1[*:1] O=C(NCc1cc([nH]n1)[*:1])c1cc2CCCCCc2[nH]c1=O
Cn1cc(N2CC[C@@H](N[C@@H]3CCCc4ccc(Cl)cc43)C2=O)cn1 Cn1cc(cn1)[*:1] O=C1[C@@H](CCN1[*:1])N[C@@H]1CCCc2ccc(Cl)cc21
O=C(COc1ccc2ccc(=O)oc2c1)NCCCN1CCCC1=O O=C1CCCN1CC[*:1] O=C(COc1ccc2ccc(=O)oc2c1)NC[*:1]
O=C(COc1ccc2ccc(=O)oc2c1)NCCCN1CCCC1=O O=C1CCCN1[*:1] O=C(COc1ccc2ccc(=O)oc2c1)NCCC[*:1]
O=C(COc1ccc2ccc(=O)oc2c1)NCCCN1CCCC1=O O=C1CCCN1C[*:1] O=C(COc1ccc2ccc(=O)oc2c1)NCC[*:1]
CC(C)OC(=O)[C@@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc1ccccc12 CC(C)[*:1] C[C@]12NC(=S)N[C@H](c3ccccc3O1)[C@H]2C(=O)O[*:1]
CC(C)OC(=O)[C@@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc1ccccc12 CC(C)OC(=O)[*:1] C[C@]12NC(=S)N[C@H](c3ccccc3O1)[C@H]2[*:1]
Cc1ccsc1CN1C(=O)CNC(=O)[C@@H]1c1ccccc1 Cc1ccsc1C[*:1] O=C1NCC(=O)N([C@H]1c1ccccc1)[*:1]
Cc1ccsc1CN1C(=O)CNC(=O)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1ccsc1CN1C(=O)CNC(=O)[C@H]1[*:1]
Cc1ccsc1CN1C(=O)CNC(=O)[C@@H]1c1ccccc1 Cc1ccsc1[*:1] O=C1NCC(=O)N(C[*:1])[C@H]1c1ccccc1
CCn1ccc(NC(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] CCn1ccc(n1)NC(=O)CC1CCN(CC1)C(=O)C[*:1]
CCn1ccc(NC(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] CCn1ccc(n1)NC(=O)CC1CCN(CC1)C(=O)[*:1]
CCn1ccc(NC(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)n1 CCn1ccc(n1)[*:1] O=C(CC1CCN(CC1)C(=O)Cc1ccccc1)N[*:1]
C[C@H]1CN(C2(C(=O)N(C)C)Cc3ccccc3C2)C[C@@H](C)O1 CN(C)C(=O)[*:1] C[C@H]1CN(C[C@@H](C)O1)C1(Cc2ccccc2C1)[*:1]
CCOc1ncccc1C(=O)N1CCC(c2cc3nccnc3[nH]2)CC1 CCO[*:1] O=C(c1cccnc1[*:1])N1CCC(CC1)c1cc2nccnc2[nH]1
COc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] COc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)N(C1)c1ccc(F)c(c1)[*:1]
COc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 COc1ccc(F)cc1[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)c(c1)[N+](=O)[O-]
C[C@@H](NC(=O)c1ccc2ncccc2c1)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 c1cnc2ccc(cc2c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCC[C@@H](C1)C(=O)CS(C)(=O)=O
C[C@@H](NC(=O)c1ccc2ncccc2c1)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 CS(=O)(=O)CC(=O)[*:1] C[C@@H](NC(=O)c1ccc2ncccc2c1)C(=O)N1CCC[C@H](C1)[*:1]
C[C@@H](NC(=O)c1ccc2ncccc2c1)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 CS(=O)(=O)C[*:1] C[C@@H](NC(=O)c1ccc2ncccc2c1)C(=O)N1CCC[C@@H](C1)C(=O)[*:1]
C[C@@H](NC(=O)c1ccc2ncccc2c1)C(=O)N1CCC[C@H](C(=O)CS(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)c1ccc2ncccc2c1)C(=O)N1CCC[C@@H](C1)C(=O)C[*:1]
Cc1cc2c(N3CCC[C@H](C(=O)NCCC[NH+]4CCN(c5ccccc5)CC4)C3)[nH+]ccc2s1 c1ccc(cc1)[*:1] Cc1cc2c([nH+]ccc2s1)N1CCC[C@@H](C1)C(=O)NCCC[NH+]1CCN(CC1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N(CC(N)=O)C(C)C)CC2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N(CC(N)=O)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N(CC(N)=O)C(C)C)CC2=O)cc1 NC(=O)C[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N(C(C)C)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N(CC(N)=O)C(C)C)CC2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)N(CC(N)=O)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N(CC(N)=O)C(C)C)CC2=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N(C[*:1])C(C)C
CC(C)NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1 CC(C)NC(=O)[*:1] O=c1ccc(nn1Cc1cccc(F)c1)[*:1]
CC(C)NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1 Fc1cccc(c1)[*:1] CC(C)NC(=O)c1ccc(=O)n(C[*:1])n1
CC(C)NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1 CC(C)[*:1] O=C(N[*:1])c1ccc(=O)n(Cc2cccc(F)c2)n1
CC(C)c1ccc(CCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1 CC(C)[*:1] CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1ccc(cc1)[*:1]
Cc1cc(F)c2c(c1)C(=O)C(=O)N2[C@H](C)[C@H](C)O C[C@H](O)[*:1] Cc1cc(F)c2c(c1)C(=O)C(=O)N2[C@H](C)[*:1]
CN(C)C(=O)CN(CC(F)(F)F)C(=O)CCCO CN(C)C(=O)C[*:1] O=C(CCCO)N(CC(F)(F)F)[*:1]
CN(C)C(=O)CN(CC(F)(F)F)C(=O)CCCO FC(F)(F)C[*:1] CN(C)C(=O)CN(C(=O)CCCO)[*:1]
CN(C)C(=O)CN(CC(F)(F)F)C(=O)CCCO OCC[*:1] CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[*:1]
CN(C)C(=O)CN(CC(F)(F)F)C(=O)CCCO FC(F)(F)[*:1] CN(C)C(=O)CN(C[*:1])C(=O)CCCO
CN(C)C(=O)CN(CC(F)(F)F)C(=O)CCCO CN(C)C(=O)[*:1] O=C(CCCO)N(CC(F)(F)F)C[*:1]
CN(C)C(=O)CN(CC(F)(F)F)C(=O)CCCO OCCC[*:1] CN(C)C(=O)CN(CC(F)(F)F)C(=O)[*:1]
CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)C1(C)C Clc1cccc(c1)C[*:1] CC(C)=C[C@@H]1[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)[*:1])C1(C)C
CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)C1(C)C O=S1(=O)CC[C@H](C1)[*:1] CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2cccc(Cl)c2)[*:1])C1(C)C
CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)C1(C)C CC(C)=C[*:1] CC1(C)[C@@H](C(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)[C@H]1[*:1]
CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)C1(C)C Clc1cccc(c1)[*:1] CC(C)=C[C@@H]1[C@H](C(=O)N(C[*:1])[C@@H]2CCS(=O)(=O)C2)C1(C)C
CCOCCN(C)C(=O)N[C@@H](CC)c1ccc(C)cc1 CCOC[*:1] CC[C@H](NC(=O)N(C)C[*:1])c1ccc(C)cc1
CCOCCN(C)C(=O)N[C@@H](CC)c1ccc(C)cc1 CCOCC[*:1] CC[C@H](NC(=O)N(C)[*:1])c1ccc(C)cc1
CCOCCN(C)C(=O)N[C@@H](CC)c1ccc(C)cc1 CCO[*:1] CC[C@H](NC(=O)N(C)CC[*:1])c1ccc(C)cc1
CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc4ccccc34)c2C)cc1 CC(=O)N[*:1] Cc1c(cnn1-c1cccc2ccccc12)[C@H](C)[NH2+]Cc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc4ccccc34)c2C)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1c(cnn1-c1cccc2ccccc12)[C@H](C)[NH2+]C[*:1]
CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc4ccccc34)c2C)cc1 c1ccc2c(cccc2c1)[*:1] CC(=O)Nc1ccc(cc1)C[NH2+][C@@H](C)c1cnn(c1C)[*:1]
O=C(Cc1ccc(F)cc1F)N[C@H](CCO)C(=O)[O-] O=C([O-])[*:1] O=C(Cc1ccc(F)cc1F)N[C@H](CCO)[*:1]
O=C(Cc1ccc(F)cc1F)N[C@H](CCO)C(=O)[O-] OCC[*:1] O=C(Cc1ccc(F)cc1F)N[C@H](C(=O)[O-])[*:1]
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)N(C)C C1CO[C@H](C1)[*:1] C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[*:1])C(=O)N(C)C
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)[*:1]
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)N(C)C Clc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1C[C@H]1CCCO1)[*:1])C(=O)N(C)C
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)N(C)C C[C@@H](S[*:1])C(=O)N(C)C Clc1ccc(cc1)-c1nnc(n1C[C@H]1CCCO1)[*:1]
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)N(C)C C[C@@H](C(=O)N(C)C)[*:1] Clc1ccc(cc1)-c1nnc(S[*:1])n1C[C@H]1CCCO1
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)N(C)C C1CO[C@H](C1)C[*:1] C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1[*:1])C(=O)N(C)C
CSc1cccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)c1 CSc1cccc(c1)[*:1] O=C(N[*:1])N1CCN(CC1)c1ccccc1Cl
CSc1cccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)c1 Clc1ccccc1[*:1] CSc1cccc(c1)NC(=O)N1CCN(CC1)[*:1]
C=CCCC[C@@H](C)OC(=O)c1c(C)nn(C)c1Cl C=CC[*:1] Cc1nn(C)c(Cl)c1C(=O)O[C@H](C)CC[*:1]
C=CCCC[C@@H](C)OC(=O)c1c(C)nn(C)c1Cl C=CCCC[*:1] Cc1nn(C)c(Cl)c1C(=O)O[C@H](C)[*:1]
C=CCCC[C@@H](C)OC(=O)c1c(C)nn(C)c1Cl C=CCC[*:1] Cc1nn(C)c(Cl)c1C(=O)O[C@H](C)C[*:1]
O=C(NCc1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 O=C([O-])[*:1] O=C(NCc1ccc(o1)[*:1])c1ccc(Cl)cc1
C[C@@H]1CCC[C@@H](CNc2ccn(CCCC(=O)N(C)C)n2)C1 CN(C)C(=O)C[*:1] C[C@@H]1CCC[C@@H](CNc2ccn(CC[*:1])n2)C1
C[C@@H]1CCC[C@@H](CNc2ccn(CCCC(=O)N(C)C)n2)C1 CN(C)C(=O)CC[*:1] C[C@@H]1CCC[C@@H](CNc2ccn(C[*:1])n2)C1
C[C@@H]1CCC[C@@H](CNc2ccn(CCCC(=O)N(C)C)n2)C1 CN(C)C(=O)[*:1] C[C@@H]1CCC[C@@H](CNc2ccn(CCC[*:1])n2)C1
Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1cc(F)ccc1F)C2 c1ccc(cc1)CO[*:1] Cn1nc(C[*:1])c2CN(CCc21)S(=O)(=O)c1cc(F)ccc1F
Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1cc(F)ccc1F)C2 c1ccc(cc1)C[*:1] Cn1nc(CO[*:1])c2CN(CCc21)S(=O)(=O)c1cc(F)ccc1F
Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1cc(F)ccc1F)C2 c1ccc(cc1)[*:1] Cn1nc(COC[*:1])c2CN(CCc21)S(=O)(=O)c1cc(F)ccc1F
Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1cc(F)ccc1F)C2 Fc1ccc(F)c(c1)[*:1] Cn1nc(COCc2ccccc2)c2CN(CCc21)S(=O)(=O)[*:1]
Cn1nc(COCc2ccccc2)c2c1CCN(S(=O)(=O)c1cc(F)ccc1F)C2 c1ccc(cc1)COC[*:1] Cn1nc(c2CN(CCc21)S(=O)(=O)c1cc(F)ccc1F)[*:1]
CO[C@@]12OC(C)=NC1=CC(=[N+]([O-])[O-])C=C2[N+](=O)[O-] O=[N+]([O-])[*:1] CO[C@@]12OC(C)=NC1=CC(C=C2[*:1])=[N+]([O-])[O-]
COc1cc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)ccc1NC(C)=O c1ccc(cc1)[*:1] COc1cc(ccc1NC(C)=O)NC(=O)N1CCC[C@@H](CC1)[*:1]
COc1cc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)N1CCC[C@H](CC1)c1ccccc1
COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C Cc1ccccc1[*:1] COc1cc(ccc1NC(=O)CN[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)CNc1ccccc1C)[*:1]
CN(Cc1ccccc1)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 c1ccc(cc1)C[*:1] CN(C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1)[*:1]
CN(Cc1ccccc1)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 CN(Cc1ccccc1)C(=O)[*:1] Cn1cc(c(n1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1)[*:1]
CN(Cc1ccccc1)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
CN(Cc1ccccc1)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(CC1)[*:1]
O=C1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)CC1CC1 O=C1CCC[C@H]1[*:1] O=S(=O)(CC1CC1)N1CCC[C@@H]1[*:1]
O=C1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)CC1CC1 C1CC1C[*:1] O=C1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)[*:1]
O=C1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)CC1CC1 C1CC1[*:1] O=C1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)C[*:1]
CC(=O)Nc1cccc(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)C(=O)c1cnn(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)c1cnn(c1)-c1ccccc1
CC(C)(C)OC(=O)N1CCC2(CC1)CO2 CC(C)(C)[*:1] O=C(O[*:1])N1CCC2(CC1)CO2
CCC[C@H]1C[C@@H]1N/C(=[NH+]/CC)N1CCN(c2ncccn2)CC1 CCC[*:1] CC/[NH+]=C(/N[C@H]1C[C@@H]1[*:1])N1CCN(CC1)c1ncccn1
CCC[C@H]1C[C@@H]1N/C(=[NH+]/CC)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] CCC[C@H]1C[C@@H]1N/C(=[NH+]/CC)N1CCN(CC1)[*:1]
O=C(c1cnc2ccc(F)cc2c1)N(Cc1ccco1)C[C@@H]1CCCO1 c1coc(c1)[*:1] O=C(c1cnc2ccc(F)cc2c1)N(C[C@@H]1CCCO1)C[*:1]
O=C(c1cnc2ccc(F)cc2c1)N(Cc1ccco1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(c1cnc2ccc(F)cc2c1)N(Cc1ccco1)[*:1]
O=C(c1cnc2ccc(F)cc2c1)N(Cc1ccco1)C[C@@H]1CCCO1 c1coc(c1)C[*:1] O=C(c1cnc2ccc(F)cc2c1)N(C[C@@H]1CCCO1)[*:1]
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)Cc1ccc(O)cc1 Brc1ccc(nc1)[*:1] CN(CC(=O)N[*:1])C(=O)Cc1ccc(O)cc1
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)Cc1ccc(O)cc1 Oc1ccc(cc1)[*:1] CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C[*:1]
C[C@@H](Cn1ccnc1)[NH2+]Cc1nc2cc(C(C)(C)C)ccc2o1 c1cn(cn1)C[*:1] C[C@@H]([NH2+]Cc1nc2cc(ccc2o1)C(C)(C)C)[*:1]
C[C@@H](Cn1ccnc1)[NH2+]Cc1nc2cc(C(C)(C)C)ccc2o1 CC(C)(C)[*:1] C[C@@H](Cn1ccnc1)[NH2+]Cc1nc2cc(ccc2o1)[*:1]
C[C@@H](Cn1ccnc1)[NH2+]Cc1nc2cc(C(C)(C)C)ccc2o1 c1cn(cn1)[*:1] C[C@@H](C[*:1])[NH2+]Cc1nc2cc(ccc2o1)C(C)(C)C
CC(C)(C)OC(=O)N1CCC[C@@H]1COc1nsc2ccccc12 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H]1COc1nsc2ccccc12
O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1c(O)cccc1O c1ccc(cc1)[*:1] O=C(NC[C@H]1CCO[C@H]1[*:1])c1c(O)cccc1O
CC(C)CC(C)(C)C(=O)N(C)CCCN1CC[NH+](C)CC1 CC(C)CC(C)(C)[*:1] CN(CCCN1CC[NH+](C)CC1)C(=O)[*:1]
CC(C)CC(C)(C)C(=O)N(C)CCCN1CC[NH+](C)CC1 CC(C)C[*:1] CN(CCCN1CC[NH+](C)CC1)C(=O)C(C)(C)[*:1]
CC(C)CC(C)(C)C(=O)N(C)CCCN1CC[NH+](C)CC1 CC(C)[*:1] CN(CCCN1CC[NH+](C)CC1)C(=O)C(C)(C)C[*:1]
COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1c(F)cccc1F O=[N+]([O-])[*:1] COc1ccc(cc1OS(=O)(=O)c1c(F)cccc1F)[*:1]
C[C@H](CO)N(C)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] C[C@H](CO)N(C)C(=O)NC[C@H]1CCCN(C1)[*:1]
C[C@H](CO)N(C)C(=O)NC[C@H]1CCCN(c2ncccn2)C1 C[C@H](CO)[*:1] CN(C(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
O=C(NNC(=O)[C@H]1CCCO1)N[C@H]1CCCc2ccc(F)cc21 C1CO[C@H](C1)[*:1] O=C(NNC(=O)[*:1])N[C@H]1CCCc2ccc(F)cc21
COc1ccc(Br)c(NC(=O)NCc2ccccn2)c1 c1ccc(nc1)[*:1] COc1ccc(Br)c(c1)NC(=O)NC[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)c1 c1ccc(cc1)[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)NC(=O)N[C@@H](C1CC1)[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)c1 CO[C@H](C)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])N[C@@H](c1ccccc1)C1CC1
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)c1 C1CC1[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)NC(=O)N[C@@H](c1ccccc1)[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)c1 CO[C@H](C)C(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])N[C@@H](c1ccccc1)C1CC1
Cc1ccc(NC(=O)[C@](F)(Cl)C(F)(F)F)c(C)c1 FC(F)(F)[*:1] Cc1ccc(NC(=O)[C@](F)(Cl)[*:1])c(C)c1
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccccc3)c12 C[C@@H](c1ccccc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N[*:1])c12)C1CC1
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccccc3)c12 C1CC1[*:1] Cc1nn(C)c2nc(cc(C(=O)N[C@@H](C)c3ccccc3)c12)[*:1]
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccccc3)c12 c1ccc(cc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N[C@@H](C)[*:1])c12)C1CC1
CCOC(=O)Nc1cccc(-n2cnnc2)c1 c1nncn1[*:1] CCOC(=O)Nc1cccc(c1)[*:1]
CC[C@@](O)(C(=O)[O-])[C@H](C)c1cc(F)c(C)cc1F O=C([O-])[*:1] CC[C@@](O)([C@H](C)c1cc(F)c(C)cc1F)[*:1]
C[C@H]([NH2+]CCCN1CCCC1=O)c1nc2c(s1)CCCC2 O=C1CCCN1[*:1] C[C@H]([NH2+]CCC[*:1])c1nc2CCCCc2s1
C[C@H]([NH2+]CCCN1CCCC1=O)c1nc2c(s1)CCCC2 O=C1CCCN1C[*:1] C[C@H]([NH2+]CC[*:1])c1nc2CCCCc2s1
CNC(=O)COC(=O)c1ccc(Br)cc1F CNC(=O)C[*:1] O=C(O[*:1])c1ccc(Br)cc1F
CNC(=O)COC(=O)c1ccc(Br)cc1F CNC(=O)[*:1] O=C(OC[*:1])c1ccc(Br)cc1F
COc1ccc(F)cc1NC(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] COc1ccc(F)cc1NC(=O)N(C)[*:1]
COc1ccc(F)cc1NC(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] COc1ccc(F)cc1NC(=O)N(C)C[*:1]
CCn1cc(S(=O)(=O)N2CCC[C@@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cn1 O=C(NCC1CCCCC1)[*:1] CCn1cc(cn1)S(=O)(=O)N1CCC[C@H](C1)c1cc(on1)[*:1]
CCn1cc(S(=O)(=O)N2CCC[C@@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cn1 C1CCC(CC1)[*:1] CCn1cc(cn1)S(=O)(=O)N1CCC[C@H](C1)c1cc(on1)C(=O)NC[*:1]
CCn1cc(S(=O)(=O)N2CCC[C@@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cn1 CCn1cc(cn1)[*:1] O=C(NCC1CCCCC1)c1cc(no1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCn1cc(S(=O)(=O)N2CCC[C@@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cn1 C1CCC(CC1)C[*:1] CCn1cc(cn1)S(=O)(=O)N1CCC[C@H](C1)c1cc(on1)C(=O)N[*:1]
Cn1c(C(=O)NCc2ccco2)c(Br)c(=O)n(C)c1=O c1coc(c1)[*:1] Cn1c(C(=O)NC[*:1])c(Br)c(=O)n(C)c1=O
Cn1c(C(=O)NCc2ccco2)c(Br)c(=O)n(C)c1=O c1coc(c1)C[*:1] Cn1c(C(=O)N[*:1])c(Br)c(=O)n(C)c1=O
Cc1[nH+]n(C)c(N(C)[C@H]2CCSC2)c1CO C1C[C@@H](CS1)[*:1] Cc1[nH+]n(C)c(c1CO)N(C)[*:1]
CCOc1ccccc1NC(=O)Cc1c(CC)noc1CC CCO[*:1] CCc1noc(CC)c1CC(=O)Nc1ccccc1[*:1]
CCOC(=O)c1nnc(Cc2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] CCOC(=O)c1nnc(Cc2ccc(cc2)[*:1])o1
CCOC(=O)c1nnc(Cc2ccc([N+](=O)[O-])cc2)o1 CCOC(=O)[*:1] O=[N+]([O-])c1ccc(cc1)Cc1nnc(o1)[*:1]
CN(C)C(=O)CN1CCOc2ccc(Cl)cc21 CN(C)C(=O)[*:1] Clc1ccc2OCCN(C[*:1])c2c1
COc1ccc(NC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)c2cccc(Cl)c2)c(c1)[*:1]
COc1ccc(NC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 Clc1cccc(c1)[*:1] COc1ccc(NC(=O)[*:1])c(c1)[N+](=O)[O-]
CC(C)Cc1ccc(-c2ccc(N)cc2)cc1 CC(C)C[*:1] Nc1ccc(cc1)-c1ccc(cc1)[*:1]
CC(C)Cc1ccc(-c2ccc(N)cc2)cc1 CC(C)[*:1] Nc1ccc(cc1)-c1ccc(cc1)C[*:1]
CCc1oc2ccccc2c1CN(C)C(=O)c1cnccn1 c1cnc(cn1)[*:1] CCc1oc2ccccc2c1CN(C)C(=O)[*:1]
CCOCCN(C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 CCOC[*:1] C[C@@H]1CC[C@H](NC(=O)N(C)C[*:1])c2ccccc21
CCOCCN(C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 CCO[*:1] C[C@@H]1CC[C@H](NC(=O)N(C)CC[*:1])c2ccccc21
CCOCCN(C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 CCOCC[*:1] C[C@@H]1CC[C@H](NC(=O)N(C)[*:1])c2ccccc21
COc1ccc([C@H](C)NC(=O)NCc2ccnc(OC(C)(C)C)c2)cc1F COc1ccc(cc1F)[*:1] C[C@H](NC(=O)NCc1ccnc(c1)OC(C)(C)C)[*:1]
COc1ccc([C@H](C)NC(=O)NCc2ccnc(OC(C)(C)C)c2)cc1F CC(C)(C)O[*:1] COc1ccc(cc1F)[C@H](C)NC(=O)NCc1ccnc(c1)[*:1]
COc1ccc([C@H](C)NC(=O)NCc2ccnc(OC(C)(C)C)c2)cc1F CC(C)(C)[*:1] COc1ccc(cc1F)[C@H](C)NC(=O)NCc1ccnc(c1)O[*:1]
Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)n1 O=C([O-])[*:1] Cc1cc(C)n(n1)-c1ccccc1[N-]S(=O)(=O)c1cc(C)c(s1)[*:1]
Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(sc1C(=O)[O-])S(=O)(=O)[N-]c1ccccc1[*:1]
Cc1c(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)cnc2ccnn12 C1CCCC(CC1)[*:1] Cc1c(cnc2ccnn12)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
CN(CCOc1ccc2c(c1)CCC(=O)N2)[C@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(CCOc1ccc2NC(=O)CCc2c1)[C@H]1CCC[C@H]1[*:1]
COc1ccc(C)cc1NC(=O)CCC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)CCC(=O)[*:1]
CN1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 Brc1cccc(c1)[*:1] CN1CCN(CC1)C(=O)c1ccn(n1)[*:1]
COc1c(C)cccc1C(=O)NCCCNC(=O)c1ccc(C)nc1 Cc1ccc(cn1)[*:1] COc1c(C)cccc1C(=O)NCCCNC(=O)[*:1]
Nc1nc(SCC(=O)N2CCS[C@@H]2c2ccccc2F)n[nH]1 Nc1nc(n[nH]1)S[*:1] O=C(C[*:1])N1CCS[C@@H]1c1ccccc1F
Nc1nc(SCC(=O)N2CCS[C@@H]2c2ccccc2F)n[nH]1 Nc1nc(n[nH]1)[*:1] O=C(CS[*:1])N1CCS[C@@H]1c1ccccc1F
Nc1nc(SCC(=O)N2CCS[C@@H]2c2ccccc2F)n[nH]1 Fc1ccccc1[*:1] Nc1nc(n[nH]1)SCC(=O)N1CCS[C@H]1[*:1]
COc1ccc(C2(CNC(=O)c3cccc4c3O[C@H](C)C(=O)N4)CCCCC2)cc1 COc1ccc(cc1)[*:1] C[C@H]1Oc2c(cccc2C(=O)NCC2(CCCCC2)[*:1])NC1=O
C#CC[C@@H](C)OC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 C#CC[*:1] C[C@@H](OC(=O)c1nc(-c2cccs2)n(n1)-c1ccc(F)cc1)[*:1]
C#CC[C@@H](C)OC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] C#CC[C@@H](C)OC(=O)c1nc(-c2cccs2)n(n1)[*:1]
C#CC[C@@H](C)OC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 c1csc(c1)[*:1] C#CC[C@@H](C)OC(=O)c1nc(n(n1)-c1ccc(F)cc1)[*:1]
Cc1cccc([S@](=O)Cc2ccc(C(=O)NCc3cccc(Br)c3)o2)c1 Cc1cccc(c1)[*:1] O=C(NCc1cccc(Br)c1)c1ccc(C[S@@](=O)[*:1])o1
Cc1cccc([S@](=O)Cc2ccc(C(=O)NCc3cccc(Br)c3)o2)c1 Brc1cccc(c1)[*:1] Cc1cccc(c1)[S@](=O)Cc1ccc(o1)C(=O)NC[*:1]
Cc1cccc([S@](=O)Cc2ccc(C(=O)NCc3cccc(Br)c3)o2)c1 Brc1cccc(c1)C[*:1] Cc1cccc(c1)[S@](=O)Cc1ccc(o1)C(=O)N[*:1]
COc1cc(C#N)ccc1O[C@H](C)c1nnc(-c2cccc(C)c2)o1 Cc1cccc(c1)[*:1] COc1cc(C#N)ccc1O[C@H](C)c1nnc(o1)[*:1]
CC(C)C[C@@H](CNC(=O)[C@@H]1CCCO1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@@H](CNC(=O)[C@@H]1CCCO1)[*:1]
CC(C)C[C@@H](CNC(=O)[C@@H]1CCCO1)N1CCOCC1 CC(C)C[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])[C@@H]1CCCO1
CC(C)C[C@@H](CNC(=O)[C@@H]1CCCO1)N1CCOCC1 CC(C)[*:1] O=C(NC[C@H](C[*:1])N1CCOCC1)[C@@H]1CCCO1
CC(C)C[C@@H](CNC(=O)[C@@H]1CCCO1)N1CCOCC1 C1CO[C@@H](C1)[*:1] CC(C)C[C@@H](CNC(=O)[*:1])N1CCOCC1
CC(C)Sc1cccc(C(=O)Nc2ccc(F)cc2)c1 CC(C)S[*:1] O=C(Nc1ccc(F)cc1)c1cccc(c1)[*:1]
CC(C)Sc1cccc(C(=O)Nc2ccc(F)cc2)c1 CC(C)[*:1] O=C(Nc1ccc(F)cc1)c1cccc(c1)S[*:1]
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1 CS(=O)(=O)[*:1] COc1cccc(c1)[C@@H]1C[C@H]1C(=O)Nc1ccc(C)c(c1)[*:1]
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1[*:1]
Cc1ccc(OC(F)(F)F)cc1C(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1[*:1])OC(F)(F)F
Cc1ccc(OC(F)(F)F)cc1C(=O)[O-] FC(F)(F)O[*:1] Cc1ccc(cc1C(=O)[O-])[*:1]
Cc1ccc(OC(F)(F)F)cc1C(=O)[O-] FC(F)(F)[*:1] Cc1ccc(cc1C(=O)[O-])O[*:1]
N#Cc1ccc(F)c(CN(CCO)c2ccccc2)c1 c1ccc(cc1)[*:1] N#Cc1ccc(F)c(c1)CN(CCO)[*:1]
N#Cc1ccc(F)c(CN(CCO)c2ccccc2)c1 OCC[*:1] N#Cc1ccc(F)c(c1)CN(c1ccccc1)[*:1]
[NH3+][C@@H]1CCC[C@@H]([NH2+]CCCOc2ccccc2)C1 c1ccc(cc1)[*:1] [NH3+][C@@H]1CCC[C@H](C1)[NH2+]CCCO[*:1]
Cc1ccc(Nc2nnc(SCC(=O)N3CCCCC3)s2)cc1C O=C(N1CCCCC1)[*:1] Cc1ccc(cc1C)Nc1nnc(SC[*:1])s1
Cc1ccc(Nc2nnc(SCC(=O)N3CCCCC3)s2)cc1C Cc1ccc(cc1C)[*:1] O=C(CSc1nnc(N[*:1])s1)N1CCCCC1
COc1ccccc1NC1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1NC1CCN(CC1)C(=O)[*:1]
C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc3[nH]ccc3c2)cc1 c1cc2cc(ccc2[nH]1)[*:1] C[NH+](C)Cc1ccc(cc1)[C@@H]1CCCCN1C(=O)[*:1]
COC(=O)c1ccc(N2CCN(C(=O)c3cc(C)no3)[C@H](C)C2)cc1 COC(=O)[*:1] Cc1cc(on1)C(=O)N1CCN(C[C@H]1C)c1ccc(cc1)[*:1]
COC(=O)c1ccc(N2CCN(C(=O)c3cc(C)no3)[C@H](C)C2)cc1 Cc1cc(on1)[*:1] COC(=O)c1ccc(cc1)N1CCN(C(=O)[*:1])[C@H](C)C1
CC(C)(CNc1cnn(-c2ccccc2Br)c1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] Brc1ccccc1-n1cc(cn1)NC[*:1]
CC(C)(CNc1cnn(-c2ccccc2Br)c1)S(C)(=O)=O Brc1ccccc1[*:1] CC(C)(CNc1cnn(c1)[*:1])S(C)(=O)=O
CC(C)(CNc1cnn(-c2ccccc2Br)c1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNc1cnn(c1)-c1ccccc1Br)[*:1]
CCc1cccc(NC(=O)NCC(=O)[O-])c1 O=C([O-])C[*:1] CCc1cccc(c1)NC(=O)N[*:1]
CCc1cccc(NC(=O)NCC(=O)[O-])c1 O=C([O-])[*:1] CCc1cccc(c1)NC(=O)NC[*:1]
COC(=O)c1ccc(NC(=O)C[C@@H](C)n2cccc2)c(O)c1 c1ccn(c1)[*:1] COC(=O)c1ccc(NC(=O)C[C@@H](C)[*:1])c(O)c1
COC(=O)c1ccc(NC(=O)C[C@@H](C)n2cccc2)c(O)c1 COC(=O)[*:1] C[C@H](CC(=O)Nc1ccc(cc1O)[*:1])n1cccc1
Cc1ccc(C(=O)OC2CCN(c3ccc(Cl)cn3)CC2)cc1 Clc1ccc(nc1)[*:1] Cc1ccc(cc1)C(=O)OC1CCN(CC1)[*:1]
Cc1ccc(C(=O)OC2CCN(c3ccc(Cl)cn3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(OC1CCN(CC1)c1ccc(Cl)cn1)[*:1]
Cc1cccc([C@H]2CCCN2c2ncccn2)c1C c1cnc(nc1)[*:1] Cc1cccc(c1C)[C@H]1CCCN1[*:1]
CC(C)Cn1cc(C(=O)Cl)cn1 O=C(Cl)[*:1] CC(C)Cn1cc(cn1)[*:1]
CC(C)Cn1cc(C(=O)Cl)cn1 CC(C)[*:1] O=C(Cl)c1cnn(c1)C[*:1]
CC(C)Cn1cc(C(=O)Cl)cn1 CC(C)C[*:1] O=C(Cl)c1cnn(c1)[*:1]
Cc1cc(CN(C)C(=O)CSc2cccc(C(F)(F)F)c2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)CSc1cccc(c1)C(F)(F)F
Cc1cc(CN(C)C(=O)CSc2cccc(C(F)(F)F)c2)no1 Cc1cc(C[*:1])no1 CN(C(=O)CSc1cccc(c1)C(F)(F)F)[*:1]
Cc1cc(CN(C)C(=O)CSc2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] Cc1cc(CN(C)C(=O)CSc2cccc(c2)[*:1])no1
Cc1cc(C(=O)N2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(N1CCN(CC1)Cc1c[nH]nc1-c1ccccc1)[*:1]
Cc1cc(C(=O)N2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCN(CC2)Cc2c[nH]nc2[*:1])c(C)o1
CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 CCc1ccccc1[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
C[C@H]1CC(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)C[C@H](C)O1 Clc1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NC[C@@H](N1CCOCC1)[*:1]
C[C@H]1CC(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)C[C@H](C)O1 C1CN(CCO1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1cnc2nc(-c3cc(F)c(F)cc3C(=O)[O-])[nH]c2c1 O=C([O-])[*:1] Cc1cnc2nc([nH]c2c1)-c1cc(F)c(F)cc1[*:1]
CC[C@H](NC(=O)c1cccc(OCC=C(C)C)c1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)c1cccc(c1)OCC=C(C)C)[*:1]
CC[C@H](NC(=O)c1cccc(OCC=C(C)C)c1)C(=O)N1CCOCC1 CC(C)=CC[*:1] CC[C@H](NC(=O)c1cccc(c1)O[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)c1cccc(OCC=C(C)C)c1)C(=O)N1CCOCC1 CC(C)=CCO[*:1] CC[C@H](NC(=O)c1cccc(c1)[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)c1cccc(OCC=C(C)C)c1)C(=O)N1CCOCC1 CC(C)=C[*:1] CC[C@H](NC(=O)c1cccc(c1)OC[*:1])C(=O)N1CCOCC1
CC(=O)N1CCN(C(=O)CCCc2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CC(=O)N1CCN(CC1)C(=O)CCCc1ccc(cc1)[*:1]
C[C@@H](CSc1nc(C(F)(F)F)ccc1C#N)C(=O)[O-] O=C([O-])[*:1] C[C@@H](CSc1nc(ccc1C#N)C(F)(F)F)[*:1]
C[C@@H](CSc1nc(C(F)(F)F)ccc1C#N)C(=O)[O-] FC(F)(F)[*:1] C[C@@H](CSc1nc(ccc1C#N)[*:1])C(=O)[O-]
Cc1nc(COc2ccc(CCO)cc2-n2nc3ccccc3n2)oc1C c1ccc2nn(nc2c1)[*:1] Cc1nc(COc2ccc(cc2[*:1])CCO)oc1C
Cc1nc(COc2ccc(CCO)cc2-n2nc3ccccc3n2)oc1C Cc1nc(oc1C)[*:1] OCCc1ccc(OC[*:1])c(c1)-n1nc2ccccc2n1
Cc1nc(COc2ccc(CCO)cc2-n2nc3ccccc3n2)oc1C Cc1nc(CO[*:1])oc1C OCCc1ccc(c(c1)-n1nc2ccccc2n1)[*:1]
Cc1nc(COc2ccc(CCO)cc2-n2nc3ccccc3n2)oc1C Cc1nc(C[*:1])oc1C OCCc1ccc(O[*:1])c(c1)-n1nc2ccccc2n1
Cc1nc(COc2ccc(CCO)cc2-n2nc3ccccc3n2)oc1C OCC[*:1] Cc1nc(COc2ccc(cc2-n2nc3ccccc3n2)[*:1])oc1C
O=C(CC1(O)CCCC1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] O=C(CC1(O)CCCC1)Nc1ccc(cc1)C(=O)N[*:1]
O=C(CC1(O)CCCC1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 OC1(CCCC1)[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)NCc1ccc(F)cc1
O=C(CC1(O)CCCC1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] O=C(CC1(O)CCCC1)Nc1ccc(cc1)C(=O)NC[*:1]
O=C(CC1(O)CCCC1)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 OC1(CCCC1)C[*:1] O=C(NCc1ccc(F)cc1)c1ccc(cc1)NC(=O)[*:1]
CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc(C(=O)N(C)C)[nH]1 CN(C)C(=O)[*:1] CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc([nH]1)[*:1]
CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc(C(=O)N(C)C)[nH]1 CC(C)OC(=O)[*:1] C[C@@H](N(C)Cc1ccc([nH]1)C(=O)N(C)C)[*:1]
CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc(C(=O)N(C)C)[nH]1 CC(C)[*:1] C[C@H](C(=O)O[*:1])N(C)Cc1ccc([nH]1)C(=O)N(C)C
CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(nc1)[*:1]
CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OCC(F)F)nc1 FC(F)[*:1] CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(nc1)OC[*:1]
CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(nc1)O[*:1]
CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OCC(F)F)nc1 CNC(=O)[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])c1ccc(nc1)OCC(F)F
O=C(COc1ccc2c(c1)CCC2)NCCNC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc2CCCc2c1)NCCNC(=O)[*:1]
C[C@@H](O)[C@@H]1CCCN(C(=O)c2cnn3cc(Br)cnc23)C1 C[C@@H](O)[*:1] O=C(c1cnn2cc(Br)cnc12)N1CCC[C@H](C1)[*:1]
C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1)[*:1]
C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cccs1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1cccs1
C[C@@H]1CC(=O)N=C(SC[C@@H]2CO2)N1 C1O[C@@H]1[*:1] C[C@@H]1CC(=O)N=C(N1)SC[*:1]
C[C@@H]1CC(=O)N=C(SC[C@@H]2CO2)N1 C1O[C@@H]1C[*:1] C[C@@H]1CC(=O)N=C(N1)S[*:1]
Cc1cc(NC[C@H](C)[NH+](C)C)cc(C(=O)[O-])c1N O=C([O-])[*:1] Cc1cc(cc(c1N)[*:1])NC[C@H](C)[NH+](C)C
CSC[C@H]1CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)C1 CSC[*:1] O=C(N[C@H]1CCN(C1)c1cccc(Cl)c1)N1CC[C@@H](C1)[*:1]
CSC[C@H]1CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)C1 Clc1cccc(c1)[*:1] CSC[C@H]1CCN(C1)C(=O)N[C@H]1CCN(C1)[*:1]
CC(C)[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 CC(C)[*:1] Clc1cc(Br)ccc1-c1ccc(C[NH2+][*:1])o1
COc1ccc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)cc1[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1ccn(-c2ccccc2Cl)n1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)c1ccn(n1)-c1ccccc1Cl)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)c1ccn(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1noc(C)c1[C@H](C)NC(=O)c1ccn(n1)[*:1]
COc1ccc(Cl)cc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1ccc(Cl)cc1C(=O)NC[C@H](O)c1ccc(cc1)[*:1]
O=C1NC2(CCCC2)C(=O)N1C[C@H](O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C1NC2(CCCC2)C(=O)N1C[C@H](O)c1ccccc1[*:1]
COc1ccc(C(=O)Cc2nc3cc4ccccc4cc3c(=O)[nH]2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1nc2cc3ccccc3cc2c(=O)[nH]1)[*:1]
Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)CC2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)CCS(=O)(=O)[*:1]
CCC(=O)Nc1ccc(I)cc1C(=O)[O-] O=C([O-])[*:1] CCC(=O)Nc1ccc(I)cc1[*:1]
CCC(=O)Nc1ccc(I)cc1C(=O)[O-] CCC(=O)N[*:1] O=C([O-])c1cc(I)ccc1[*:1]
C[C@H](NC(=O)NCCNC(=O)c1ccco1)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)NCCNC(=O)c1ccco1)[*:1]
C[C@H](NC(=O)NCCNC(=O)c1ccco1)c1ccc(F)cc1Cl O=C(N[*:1])c1ccco1 C[C@H](NC(=O)NCC[*:1])c1ccc(F)cc1Cl
C[C@H](NC(=O)NCCNC(=O)c1ccco1)c1ccc(F)cc1Cl c1coc(c1)[*:1] C[C@H](NC(=O)NCCNC(=O)[*:1])c1ccc(F)cc1Cl
COC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1F COC(=O)[C@H](C)[*:1] O=S(=O)(N[*:1])c1ccc(F)cc1F
COC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1F COC(=O)[*:1] C[C@H](NS(=O)(=O)c1ccc(F)cc1F)[*:1]
C=CCN(C(=O)Cc1ccc(C)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])[*:1] C=CCN(C(=O)Cc1ccc(C)nc1)c1nc(cs1)-c1ccc(cc1)[*:1]
C=CCN(C(=O)Cc1ccc(C)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 C=CC[*:1] Cc1ccc(cn1)CC(=O)N(c1nc(cs1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
C=CCN(C(=O)Cc1ccc(C)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 Cc1ccc(cn1)[*:1] C=CCN(C(=O)C[*:1])c1nc(cs1)-c1ccc(cc1)[N+](=O)[O-]
C=CCN(C(=O)Cc1ccc(C)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 Cc1ccc(cn1)C[*:1] C=CCN(C(=O)[*:1])c1nc(cs1)-c1ccc(cc1)[N+](=O)[O-]
C=CCN(C(=O)Cc1ccc(C)nc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])c1ccc(cc1)[*:1] C=CCN(C(=O)Cc1ccc(C)nc1)c1nc(cs1)[*:1]
Cc1c(-c2ccnc3cc(C(=O)Nc4ccn(C56CC7CC(CC(C7)C5)C6)n4)nn23)cnn1C Cc1c(cnn1C)[*:1] O=C(Nc1ccn(n1)C12CC3CC(CC(C3)C1)C2)c1cc2nccc(n2n1)[*:1]
CCOc1cc(C[NH2+]Cc2cc3ccccc3o2)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(cc1[*:1])C[NH2+]Cc1cc2ccccc2o1
[NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 O=[N+]([O-])[*:1] [NH3+]C1(CO)CCN(CC1)c1ccc(c2cccnc12)[*:1]
Cc1cccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c1C C1CCN(C1)[*:1] Cc1cccc(C[NH2+]Cc2ccc(nc2)[*:1])c1C
CCc1nn(C)cc1CNC(=O)NC[C@H](O)c1ccccc1F Fc1ccccc1[*:1] CCc1nn(C)cc1CNC(=O)NC[C@H](O)[*:1]
CN(C(=O)CCCC1CCCC1)c1ccc(Br)cn1 C1CCC(C1)[*:1] CN(C(=O)CCC[*:1])c1ccc(Br)cn1
CN(C(=O)CCCC1CCCC1)c1ccc(Br)cn1 C1CCC(C1)C[*:1] CN(C(=O)CC[*:1])c1ccc(Br)cn1
CCC(=O)N1CCc2cc(CNC(=O)NC3CCCCC3)ccc21 C1CCC(CC1)[*:1] CCC(=O)N1CCc2cc(ccc21)CNC(=O)N[*:1]
CCC(CC)NC(=O)Cn1cnc2ccc(Cl)cc2c1=O CCC(CC)[*:1] O=C(Cn1cnc2ccc(Cl)cc2c1=O)N[*:1]
O=C(NC1CC1)c1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 Fc1ccc(cc1)[*:1] O=C(NC1CC1)c1ccc(cc1)NC(=O)C1(CCCC1)[*:1]
O=C(NC1CC1)c1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 C1CC1[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)C1(CCCC1)c1ccc(F)cc1
O=C(NC1CC1)c1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 O=C(NC1CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])C1(CCCC1)c1ccc(F)cc1
CCCCN1C[C@@]2(CCCN(C(=O)c3ccc[nH]c3=O)C2)CCC1=O O=c1[nH]cccc1[*:1] CCCCN1C[C@@]2(CCCN(C2)C(=O)[*:1])CCC1=O
CCCCN1C[C@@]2(CCCN(C(=O)c3ccc[nH]c3=O)C2)CCC1=O CCC[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)c2ccc[nH]c2=O)CN1C[*:1]
CCCCN1C[C@@]2(CCCN(C(=O)c3ccc[nH]c3=O)C2)CCC1=O CCCC[*:1] O=C(c1ccc[nH]c1=O)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
COCCN1CC2(CCC1=O)CC[NH+](C/C=C/c1ccc(OC)cc1)CC2 COCC[*:1] COc1ccc(/C=C/C[NH+]2CCC3(CCC(=O)N(C3)[*:1])CC2)cc1
COCCN1CC2(CCC1=O)CC[NH+](C/C=C/c1ccc(OC)cc1)CC2 COC[*:1] COc1ccc(/C=C/C[NH+]2CCC3(CCC(=O)N(C3)C[*:1])CC2)cc1
COCCN1CC2(CCC1=O)CC[NH+](C/C=C/c1ccc(OC)cc1)CC2 COc1ccc(cc1)[*:1] COCCN1CC2(CCC1=O)CC[NH+](CC=C[*:1])CC2
C[C@H](O)CNC(=O)c1cccc(Oc2ccc(C#N)cn2)c1 C[C@H](O)C[*:1] N#Cc1ccc(nc1)Oc1cccc(c1)C(=O)N[*:1]
C[C@H](O)CNC(=O)c1cccc(Oc2ccc(C#N)cn2)c1 C[C@H](O)[*:1] N#Cc1ccc(nc1)Oc1cccc(c1)C(=O)NC[*:1]
C[C@H](O)CNC(=O)c1cccc(Oc2ccc(C#N)cn2)c1 C[C@H](O)CNC(=O)[*:1] N#Cc1ccc(nc1)Oc1cccc(c1)[*:1]
Nc1ccc2c(c1)CC(=O)N2Cc1cccs1 c1csc(c1)[*:1] Nc1ccc2c(c1)CC(=O)N2C[*:1]
CCCCOCC(=O)Nc1cccc(N2CCCNC2=O)c1 CCCCO[*:1] O=C(C[*:1])Nc1cccc(c1)N1CCCNC1=O
CCCCOCC(=O)Nc1cccc(N2CCCNC2=O)c1 CCCCOC[*:1] O=C1NCCCN1c1cccc(c1)NC(=O)[*:1]
CCCCOCC(=O)Nc1cccc(N2CCCNC2=O)c1 CCCC[*:1] O=C(CO[*:1])Nc1cccc(c1)N1CCCNC1=O
CCCCOCC(=O)Nc1cccc(N2CCCNC2=O)c1 CCC[*:1] O=C(COC[*:1])Nc1cccc(c1)N1CCCNC1=O
CCCCOCC(=O)Nc1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] CCCCOCC(=O)Nc1cccc(c1)[*:1]
C[NH2+][C@H](c1ccc(Br)cc1)[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] C[NH2+][C@H](c1ccc(Br)cc1)[C@@H](C)[*:1]
Cc1ncc2c(c1CNC(=O)CCCc1ccc(Cl)cc1)CC[NH2+]C2 Clc1ccc(cc1)[*:1] Cc1ncc2C[NH2+]CCc2c1CNC(=O)CCC[*:1]
Cc1ncc2c(c1CNC(=O)CCCc1ccc(Cl)cc1)CC[NH2+]C2 Clc1ccc(cc1)C[*:1] Cc1ncc2C[NH2+]CCc2c1CNC(=O)CC[*:1]
COc1ccc2nc(NC(=O)c3cc(Cl)c(NC(C)=O)cc3OC)sc2c1 CC(=O)N[*:1] COc1ccc2nc(NC(=O)c3cc(Cl)c(cc3OC)[*:1])sc2c1
COc1ccc(-n2cnnc2SCC(=O)N[C@](C)(C#N)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@](C)(C#N)NC(=O)CSc1nncn1[*:1]
COc1ccc(-n2cnnc2SCC(=O)N[C@](C)(C#N)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)-n1cnnc1SCC(=O)N[C@](C)(C#N)[*:1]
Cc1noc(C)c1CCCNC(=O)Nc1nc(-c2ccccc2)cs1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])Nc1nc(cs1)-c1ccccc1
Cc1noc(C)c1CCCNC(=O)Nc1nc(-c2ccccc2)cs1 Cc1noc(C)c1C[*:1] O=C(NCC[*:1])Nc1nc(cs1)-c1ccccc1
Cc1noc(C)c1CCCNC(=O)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1noc(C)c1CCCNC(=O)Nc1nc(cs1)[*:1]
COc1cccc(/C=C/C(=O)Nc2nc(C)cs2)c1OC Cc1csc(n1)[*:1] COc1cccc(/C=C/C(=O)N[*:1])c1OC
CNS(=O)(=O)c1cc(-c2ccc(NC3CCCCCC3)nn2)ccc1C C1CCCC(CC1)[*:1] CNS(=O)(=O)c1cc(ccc1C)-c1ccc(nn1)N[*:1]
CNS(=O)(=O)c1cc(-c2ccc(NC3CCCCCC3)nn2)ccc1C CNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])-c1ccc(nn1)NC1CCCCCC1
CNS(=O)(=O)c1cc(-c2ccc(NC3CCCCCC3)nn2)ccc1C C1CCCC(CC1)N[*:1] CNS(=O)(=O)c1cc(ccc1C)-c1ccc(nn1)[*:1]
CC[C@H](C)[NH2+][C@@H](CC(=O)NC1CC1)C(N)=O NC(=O)[*:1] CC[C@H](C)[NH2+][C@@H](CC(=O)NC1CC1)[*:1]
CC[C@H](C)[NH2+][C@@H](CC(=O)NC1CC1)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@H](CC(=O)NC1CC1)[NH2+][*:1]
CC[C@H](C)[NH2+][C@@H](CC(=O)NC1CC1)C(N)=O C1CC1[*:1] CC[C@H](C)[NH2+][C@@H](CC(=O)N[*:1])C(N)=O
CC(=O)N1CCN(Cc2cc(NCC3(C(=O)N(C)C)CCCC3)cc[nH+]2)CC1 CC(=O)N1CCN(CC1)[*:1] CN(C)C(=O)C1(CCCC1)CNc1cc[nH+]c(c1)C[*:1]
CC(=O)N1CCN(Cc2cc(NCC3(C(=O)N(C)C)CCCC3)cc[nH+]2)CC1 CN(C)C(=O)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)NCC1(CCCC1)[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](n2cccn2)C1 CC(C)[*:1] NC(=O)[C@@]1(CC[C@@H](C1)n1cccn1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](n2cccn2)C1 c1cnn(c1)[*:1] CC(C)[NH2+][C@]1(CC[C@H](C1)[*:1])C(N)=O
CC(C)[NH2+][C@@]1(C(N)=O)CC[C@H](n2cccn2)C1 NC(=O)[*:1] CC(C)[NH2+][C@]1(CC[C@@H](C1)n1cccn1)[*:1]
Cc1cc(Cl)ccc1NC(=O)[C@H](C)Sc1nnc(C2CC2)s1 C1CC1[*:1] Cc1cc(Cl)ccc1NC(=O)[C@H](C)Sc1nnc(s1)[*:1]
C[C@H](NC(=O)Nc1ccccc1SCCC(N)=O)c1ccncc1 NC(=O)CCS[*:1] C[C@H](NC(=O)Nc1ccccc1[*:1])c1ccncc1
C[C@H](NC(=O)Nc1ccccc1SCCC(N)=O)c1ccncc1 NC(=O)C[*:1] C[C@H](NC(=O)Nc1ccccc1SC[*:1])c1ccncc1
C[C@H](NC(=O)Nc1ccccc1SCCC(N)=O)c1ccncc1 NC(=O)[*:1] C[C@H](NC(=O)Nc1ccccc1SCC[*:1])c1ccncc1
C[C@H](NC(=O)Nc1ccccc1SCCC(N)=O)c1ccncc1 NC(=O)CC[*:1] C[C@H](NC(=O)Nc1ccccc1S[*:1])c1ccncc1
C[C@H](NC(=O)Nc1ccccc1SCCC(N)=O)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)Nc1ccccc1SCCC(N)=O)[*:1]
C[C@H](NC(=O)Nc1ccccc1SCCC(N)=O)c1ccncc1 C[C@H](c1ccncc1)[*:1] NC(=O)CCSc1ccccc1NC(=O)N[*:1]
Cc1cccc(C(C)C)c1NS(=O)(=O)c1cccc(-c2nnco2)c1 CC(C)[*:1] Cc1cccc(c1NS(=O)(=O)c1cccc(c1)-c1nnco1)[*:1]
Cc1cccc(C(C)C)c1NS(=O)(=O)c1cccc(-c2nnco2)c1 c1nnc(o1)[*:1] Cc1cccc(c1NS(=O)(=O)c1cccc(c1)[*:1])C(C)C
CCOC[C@H]1CCCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C1 CC(C)(C)C(=O)N[*:1] CCOC[C@H]1CCCN(C1)C(=O)Cc1csc(n1)[*:1]
CCOC[C@H]1CCCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C1 CCO[*:1] CC(C)(C)C(=O)Nc1nc(cs1)CC(=O)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C1 CC(C)(C)[*:1] CCOC[C@H]1CCCN(C1)C(=O)Cc1csc(n1)NC(=O)[*:1]
CCOC[C@H]1CCCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)C1 CCOC[*:1] CC(C)(C)C(=O)Nc1nc(cs1)CC(=O)N1CCC[C@@H](C1)[*:1]
CNC(=O)c1cc(Cl)ccc1NC(=O)Cn1cccc(C(F)(F)F)c1=O FC(F)(F)[*:1] CNC(=O)c1cc(Cl)ccc1NC(=O)Cn1cccc(c1=O)[*:1]
CNC(=O)c1cc(Cl)ccc1NC(=O)Cn1cccc(C(F)(F)F)c1=O CNC(=O)[*:1] O=C(Cn1cccc(c1=O)C(F)(F)F)Nc1ccc(Cl)cc1[*:1]
CC(C)[C@H](CNC(=O)CSC(C)(C)C)N1CC[NH+](C)CC1 CC(C)(C)[*:1] CC(C)[C@H](CNC(=O)CS[*:1])N1CC[NH+](C)CC1
CC(C)[C@H](CNC(=O)CSC(C)(C)C)N1CC[NH+](C)CC1 CC(C)(C)S[*:1] CC(C)[C@H](CNC(=O)C[*:1])N1CC[NH+](C)CC1
CC(C)[C@H](CNC(=O)CSC(C)(C)C)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@@H](CNC(=O)CSC(C)(C)C)[*:1]
CC(C)[C@H](CNC(=O)CSC(C)(C)C)N1CC[NH+](C)CC1 CC(C)(C)SC[*:1] CC(C)[C@H](CNC(=O)[*:1])N1CC[NH+](C)CC1
O=C(c1scnc1C1CC1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(c1scnc1C1CC1)N1C[C@H](O)C[C@H]1[*:1]
O=C(c1scnc1C1CC1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F c1nc(c(s1)[*:1])C1CC1 O=C(N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)[*:1]
O=C(c1scnc1C1CC1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F C1CC1[*:1] O=C(c1scnc1[*:1])N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F
CCN(C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCN(C(=O)Cn1ncc2COc3ccc(C)cc3-c21)[*:1]
C[C@@H](OC(=O)c1ccn(-c2cccc(F)c2)n1)[C@@H]1CCOC1 Fc1cccc(c1)[*:1] C[C@@H](OC(=O)c1ccn(n1)[*:1])[C@@H]1CCOC1
O=C(O[C@H]1CCCCC1=O)c1ccc(Cl)c(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(O[C@H]1CCCCC1=O)c1ccc(Cl)c(c1)[*:1]
O=C(N[C@@H](CO)c1ccccc1F)c1nccc2ccccc12 Fc1ccccc1[*:1] O=C(N[C@@H](CO)[*:1])c1nccc2ccccc12
COc1ccccc1C(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 Cc1noc(C)c1C[*:1] COc1ccccc1C(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccccc1C(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 COc1ccccc1[*:1] Cc1noc(C)c1CC(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccccc1C(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] COc1ccccc1C(=O)N1CCN(CC1)C(=O)C[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cccc(Oc3ccncc3)c2)C1 c1cc(ccn1)O[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)c2cccc(Oc3ccncc3)c2)C1 c1cc(ccn1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1cccc(c1)O[*:1]
Cc1cc(C)cc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 Cc1cc(C)cc(c1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2CCCC(=O)c2c1)[*:1]
C[C@@H]1CN(C(=O)N2c3ccccc3C[C@@H]2C(=O)[O-])C[C@@H]1C O=C([O-])[*:1] C[C@@H]1CN(C[C@@H]1C)C(=O)N1c2ccccc2C[C@H]1[*:1]
Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cn4ccccc4=O)cc3)CC2=O)c1C O=c1ccccn1[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)C[*:1]
Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cn4ccccc4=O)cc3)CC2=O)c1C O=c1ccccn1C[*:1] Cc1cccc(c1C)N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cn4ccccc4=O)cc3)CC2=O)c1C Cc1cccc(c1C)[*:1] O=C(Nc1ccc(cc1)Cn1ccccc1=O)[C@H]1CC(=O)N(C1)[*:1]
COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 COC(=O)[*:1] O=C([C@@H]1C[C@H]1[*:1])N1CC[NH+](CC1)C1CC1
COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 C1CC1[*:1] COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[NH+](CC1)[*:1]
O=C(NCCc1ccccc1)c1cncc2cnccc12 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1cncc2cnccc12
O=C(NCCc1ccccc1)c1cncc2cnccc12 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1cncc2cnccc12
COc1ccccc1OCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 COc1ccccc1[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCCO[*:1]
COc1ccccc1OCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] COc1ccccc1OCCNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccccc1OCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 COc1ccccc1O[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCC[*:1]
C[C@@H](CCl)CS(=O)(=O)[N-]c1cc(Cl)ccc1-n1cccn1 c1cnn(c1)[*:1] C[C@@H](CCl)CS(=O)(=O)[N-]c1cc(Cl)ccc1[*:1]
CC(=O)Nc1ccc(Br)cc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 CC(=O)N[*:1] O=C(/C=C/c1cc(Cl)c2OCCOc2c1)Nc1cc(Br)ccc1[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCCc2cccc(O)c2)C1 Oc1cccc(c1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NCC[*:1]
C#CCOc1c(Cl)cc(C=O)cc1Cl C#CC[*:1] O=Cc1cc(Cl)c(O[*:1])c(Cl)c1
C#CCOc1c(Cl)cc(C=O)cc1Cl C#CCO[*:1] O=Cc1cc(Cl)c(c(Cl)c1)[*:1]
CC(=O)Nc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 CC(=O)N[*:1] O=[N+]([O-])c1cccc(c1)-c1nc(cs1)-c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)-c1csc(n1)-c1cccc(c1)[*:1]
CCOC(=O)[C@H](C)N(C)Cc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CCOC(=O)[C@H](C)N(C)Cc1ccc(cc1)[*:1]
CCOC(=O)[C@H](C)N(C)Cc1ccc(-n2cncn2)cc1 CCOC(=O)[*:1] C[C@H](N(C)Cc1ccc(cc1)-n1cncn1)[*:1]
CCOC(=O)[C@H](C)N(C)Cc1ccc(-n2cncn2)cc1 CCOC(=O)[C@H](C)[*:1] CN(Cc1ccc(cc1)-n1cncn1)[*:1]
CCC(=O)N(C)c1ccccc1C(=O)Nc1cccc(-c2cccs2)c1 c1csc(c1)[*:1] CCC(=O)N(C)c1ccccc1C(=O)Nc1cccc(c1)[*:1]
CCC(=O)N(C)c1ccccc1C(=O)Nc1cccc(-c2cccs2)c1 CCC(=O)N(C)[*:1] O=C(Nc1cccc(c1)-c1cccs1)c1ccccc1[*:1]
COc1ccc(C(C)=O)cc1Cn1cnc2sc(C)c(C)c2c1=O CC(=O)[*:1] COc1ccc(cc1Cn1cnc2sc(C)c(C)c2c1=O)[*:1]
C[C@H]1C[C@@H]1[C@H](NC(=O)N[C@@H](C)[C@@H](C)CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]1C[C@@H]1[C@H](NC(=O)N[C@@H](C)[C@@H](C)CO)[*:1]
C[C@H]1C[C@@H]1[C@H](NC(=O)N[C@@H](C)[C@@H](C)CO)c1ccc(Cl)cc1 C[C@@H](CO)[*:1] C[C@H]1C[C@@H]1[C@H](NC(=O)N[C@@H](C)[*:1])c1ccc(Cl)cc1
C[C@H]1C[C@@H]1[C@H](NC(=O)N[C@@H](C)[C@@H](C)CO)c1ccc(Cl)cc1 C[C@@H]([C@@H](C)CO)[*:1] C[C@H]1C[C@@H]1[C@H](NC(=O)N[*:1])c1ccc(Cl)cc1
C[C@H]1C[C@@H]1[C@H](NC(=O)N[C@@H](C)[C@@H](C)CO)c1ccc(Cl)cc1 C[C@H]1C[C@H]1[*:1] C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[*:1])[C@@H](C)CO
COc1ccc([C@@H](NC(=O)NCC2(SC)CCOCC2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)NCC1(CCOCC1)SC)[*:1]
COc1ccc([C@@H](NC(=O)NCC2(SC)CCOCC2)C(C)C)cc1 COc1ccc(cc1)[*:1] CSC1(CCOCC1)CNC(=O)N[C@@H](C(C)C)[*:1]
CCn1ncc(C(=O)N2CCC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)c1C CCn1ncc(c1C)[*:1] Cc1nc2cc(nn2c(O)c1C)[C@H]1CCCN(C1)C(=O)[*:1]
CCc1[nH]nc(-c2ccccc2Cl)c1NC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1[nH]nc(-c2ccccc2Cl)c1NC(=O)C[*:1]
CCc1[nH]nc(-c2ccccc2Cl)c1NC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCc1[nH]nc(-c2ccccc2Cl)c1NC(=O)[*:1]
CCc1[nH]nc(-c2ccccc2Cl)c1NC(=O)Cc1ccc(F)cc1 Clc1ccccc1[*:1] CCc1[nH]nc(c1NC(=O)Cc1ccc(F)cc1)[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)[NH+]1CCN(CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)[NH+]1CCN(CC1)C[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)[NH+]1CCN(CC(=O)N2CCCC2)CC1 O=C(C[*:1])N1CCCC1 C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)[NH+]1CCN(CC1)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1cccc(c1)C(F)(F)F)[C@H]1CCCC[C@@H]1[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1C(=O)[O-] FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCC[C@H]1C(=O)[O-]
COCCn1c(SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)nc2ccccc21 COCC[*:1] O=C(CSc1nc2ccccc2n1[*:1])N1CCC[C@@H]2CCCC[C@H]21
COCCn1c(SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)nc2ccccc21 COC[*:1] O=C(CSc1nc2ccccc2n1C[*:1])N1CCC[C@@H]2CCCC[C@H]21
CCC(CC)[C@H](C(=O)[O-])c1ccccc1 CCC(CC)[*:1] O=C([O-])[C@H](c1ccccc1)[*:1]
CCC(CC)[C@H](C(=O)[O-])c1ccccc1 O=C([O-])[*:1] CCC(CC)[C@H](c1ccccc1)[*:1]
CCOC(=O)[C@@]1(NC)CCC[C@@H]1CCN1CCOC[C@@H]1C C[C@H]1COCCN1[*:1] CCOC(=O)[C@]1(CCC[C@@H]1CC[*:1])NC
CCOC(=O)[C@@]1(NC)CCC[C@@H]1CCN1CCOC[C@@H]1C CCOC(=O)[*:1] CN[C@]1(CCC[C@@H]1CCN1CCOC[C@@H]1C)[*:1]
Cn1cnn(-c2ccc(NCc3noc(C(C)(C)C)n3)cc2)c1=O CC(C)(C)[*:1] Cn1cnn(-c2ccc(cc2)NCc2noc(n2)[*:1])c1=O
Cn1cnn(-c2ccc(NCc3noc(C(C)(C)C)n3)cc2)c1=O Cn1cnn(c1=O)[*:1] CC(C)(C)c1nc(CNc2ccc(cc2)[*:1])no1
OC[C@H]1CN(Cc2c[nH]nc2C2CCCCC2)C[C@H]1C[NH+]1CCCCCC1 C1CCC(CC1)[*:1] OC[C@H]1CN(Cc2c[nH]nc2[*:1])C[C@H]1C[NH+]1CCCCCC1
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)C1 FC(F)(F)C[*:1] CC[C@@H](C)C(=O)N1CCC[C@H](C1)C(=O)N([C@@H](C)C(C)C)[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)C1 CC(C)[*:1] CC[C@@H](C)C(=O)N1CCC[C@H](C1)C(=O)N(CC(F)(F)F)[C@@H](C)[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)C1 CC(C)[C@H](C)[*:1] CC[C@@H](C)C(=O)N1CCC[C@H](C1)C(=O)N(CC(F)(F)F)[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)C1 CC[C@@H](C)[*:1] CC(C)[C@H](C)N(CC(F)(F)F)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)C1 FC(F)(F)[*:1] CC[C@@H](C)C(=O)N1CCC[C@H](C1)C(=O)N(C[*:1])[C@@H](C)C(C)C
N#Cc1nccn1CC[C@@H]1CCC[C@]1(C#N)NC1CC1 C1CC1[*:1] N#Cc1nccn1CC[C@@H]1CCC[C@]1(C#N)N[*:1]
N#Cc1nccn1CC[C@@H]1CCC[C@]1(C#N)NC1CC1 C1CC1N[*:1] N#Cc1nccn1CC[C@@H]1CCC[C@@]1(C#N)[*:1]
C=CCOc1cccc([C@@]2(C)Nc3ccccc3C(=O)N2[C@H](C)CC)c1 C=CCO[*:1] CC[C@@H](C)N1C(=O)c2ccccc2N[C@]1(C)c1cccc(c1)[*:1]
C=CCOc1cccc([C@@]2(C)Nc3ccccc3C(=O)N2[C@H](C)CC)c1 CC[C@@H](C)[*:1] C=CCOc1cccc(c1)[C@@]1(C)Nc2ccccc2C(=O)N1[*:1]
C=CCOc1cccc([C@@]2(C)Nc3ccccc3C(=O)N2[C@H](C)CC)c1 C=CC[*:1] CC[C@@H](C)N1C(=O)c2ccccc2N[C@]1(C)c1cccc(c1)O[*:1]
O=c1oc2ccccc2c2nn(-c3cccc(Cl)c3)cc12 Clc1cccc(c1)[*:1] O=c1oc2ccccc2c2nn(cc12)[*:1]
CC(C)OCCN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)CC1 CC(C)[*:1] C(CN1CCC(CC1)[NH2+][C@H]1C[C@H]2CC[C@@H]1C2)O[*:1]
CC(C)OCCN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)CC1 CC(C)OCC[*:1] C1CN(CCC1[NH2+][C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
CC(C)OCCN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)CC1 CC(C)OC[*:1] C1CN(CCC1[NH2+][C@H]1C[C@H]2CC[C@@H]1C2)C[*:1]
CC(C)OCCN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)CC1 CC(C)O[*:1] C1CN(CCC1[NH2+][C@H]1C[C@H]2CC[C@@H]1C2)CC[*:1]
O=S(=O)(N1CCCC1)N1CCCCC[C@H]1c1cc(-c2ccc3c(c2)OCO3)on1 c1cc2OCOc2cc1[*:1] O=S(=O)(N1CCCC1)N1CCCCC[C@H]1c1cc(on1)[*:1]
COc1ccc([C@H](C)N(C)C(=O)Cc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)C[*:1]
CC(C)C[C@@H]1COCCN1Cc1noc(Cc2ccccc2)n1 CC(C)C[*:1] c1ccc(cc1)Cc1nc(CN2CCOC[C@H]2[*:1])no1
CC(C)C[C@@H]1COCCN1Cc1noc(Cc2ccccc2)n1 CC(C)[*:1] c1ccc(cc1)Cc1nc(CN2CCOC[C@H]2C[*:1])no1
CC(C)C[C@@H]1COCCN1Cc1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)C[C@@H]1COCCN1Cc1noc(C[*:1])n1
CC(C)C[C@@H]1COCCN1Cc1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CC(C)C[C@@H]1COCCN1Cc1noc(n1)[*:1]
O=C(NCc1ccccc1)[C@H]1CC12CCN(C(=O)/C=C/c1cccs1)CC2 c1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1CC12CCN(CC2)C(=O)/C=C/c1cccs1
O=C(NCc1ccccc1)[C@H]1CC12CCN(C(=O)/C=C/c1cccs1)CC2 C(=C[*:1])c1cccs1 O=C(NCc1ccccc1)[C@H]1CC12CCN(CC2)C(=O)[*:1]
O=C(NCc1ccccc1)[C@H]1CC12CCN(C(=O)/C=C/c1cccs1)CC2 c1csc(c1)[*:1] O=C(NCc1ccccc1)[C@H]1CC12CCN(CC2)C(=O)C=C[*:1]
O=C(NCc1ccccc1)[C@H]1CC12CCN(C(=O)/C=C/c1cccs1)CC2 c1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CC12CCN(CC2)C(=O)/C=C/c1cccs1
Cc1ccc(S(=O)(=O)CCc2nc3ccccc3s2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(CCc1nc2ccccc2s1)[*:1]
Cc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(C)C1=O c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=N[*:1])N(C)C1=O
Cc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(C)C1=O Cc1ccc(Cl)cc1[*:1] CN1C(=O)[C@@H](CC(=O)N[*:1])S/C1=N\c1ccccc1
CC[NH+](CC)Cc1c2occ(-c3ccc(Br)cc3)c(O)c-2ccc1=O Brc1ccc(cc1)[*:1] CC[NH+](CC)Cc1c2occ(c(O)c-2ccc1=O)[*:1]
O=C(c1cn(C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nn1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=S(=O)(c1c(F)cccc1F)N1CCC(CC1)n1cc(nn1)[*:1]
O=C(c1cn(C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nn1)N1CCCCC1 Fc1cccc(F)c1[*:1] O=C(c1cn(nn1)C1CCN(CC1)S(=O)(=O)[*:1])N1CCCCC1
O=C(NNC(=S)NCCc1ccc(Cl)cc1)c1ccoc1 Clc1ccc(cc1)[*:1] O=C(NNC(=S)NCC[*:1])c1ccoc1
O=C(NNC(=S)NCCc1ccc(Cl)cc1)c1ccoc1 c1cc(co1)[*:1] O=C(NNC(=S)NCCc1ccc(Cl)cc1)[*:1]
O=C(NC1CCCCC1)NC1CCN(c2nnc(C3CC3)s2)CC1 C1CCC(CC1)[*:1] O=C(NC1CCN(CC1)c1nnc(s1)C1CC1)N[*:1]
O=C(NC1CCCCC1)NC1CCN(c2nnc(C3CC3)s2)CC1 C1CC1c1nnc(s1)[*:1] O=C(NC1CCCCC1)NC1CCN(CC1)[*:1]
O=C(NC1CCCCC1)NC1CCN(c2nnc(C3CC3)s2)CC1 C1CC1[*:1] O=C(NC1CCCCC1)NC1CCN(CC1)c1nnc(s1)[*:1]
CC1=C2C(=O)N=C([C@H](C)OC(=O)c3nccnc3N)N=C2S[C@H]1C Nc1nccnc1[*:1] CC1=C2C(=O)N=C(N=C2S[C@H]1C)[C@H](C)OC(=O)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C)n3C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)[*:1])S(=O)(=O)[N-]c1ccc2c(c1)nc(C)n2C
CC[C@](C)([NH3+])C(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] CC[C@](C)([NH3+])C(=O)Nc1ccccc1O[*:1]
CC[C@](C)([NH3+])C(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] CC[C@](C)([NH3+])C(=O)Nc1ccccc1[*:1]
C[C@H]1CCC[C@@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 C[C@H]1CCC[C@H]1[*:1] C[NH+]1CCN(CC1)Cc1cccc(c1)C(=O)N[*:1]
Cc1cc(F)cc(NC[C@@H](O)c2cccs2)c1 c1csc(c1)[*:1] Cc1cc(F)cc(c1)NC[C@@H](O)[*:1]
CN(CCC(N)=S)C(=O)Cc1c(F)cccc1F NC(=S)CC[*:1] CN(C(=O)Cc1c(F)cccc1F)[*:1]
CN(CCC(N)=S)C(=O)Cc1c(F)cccc1F NC(=S)[*:1] CN(CC[*:1])C(=O)Cc1c(F)cccc1F
CN(CCC(N)=S)C(=O)Cc1c(F)cccc1F NC(=S)C[*:1] CN(C[*:1])C(=O)Cc1c(F)cccc1F
CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(SC)cc1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(cc1)SC)[*:1]
CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(SC)cc1)c1c(C)nn(C)c1C CSc1ccc(cc1)[*:1] CC[C@@H](NC(=O)[C@@H](C)O[*:1])c1c(C)nn(C)c1C
Cn1ccnc1C(=O)N1CC2(CCCC2)c2ccccc21 Cn1ccnc1[*:1] O=C(N1CC2(CCCC2)c2ccccc21)[*:1]
O=C([O-])[C@H]1CC=CC[C@H]1c1nc2cc(Br)ccc2o1 O=C([O-])[*:1] Brc1ccc2oc(nc2c1)[C@@H]1CC=CC[C@@H]1[*:1]
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1 Fc1ccc(c(Cl)c1)[*:1] O=C(N1CCN(CC1)Cc1ccc(Cl)cc1)[*:1]
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(c1ccc(F)cc1Cl)N1CCN(CC1)C[*:1]
O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] O=C(c1ccc(F)cc1Cl)N1CCN(CC1)[*:1]
C[C@H](NCc1ccc(OC(F)F)c(Br)c1)C(=O)N1CCCCC1 FC(F)[*:1] C[C@H](NCc1ccc(O[*:1])c(Br)c1)C(=O)N1CCCCC1
C[C@H](NCc1ccc(OC(F)F)c(Br)c1)C(=O)N1CCCCC1 FC(F)O[*:1] C[C@H](NCc1ccc(c(Br)c1)[*:1])C(=O)N1CCCCC1
Cc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)c(C)c1 c1csc(c1)[*:1] Cc1ccc(C(=O)NC[C@H](N(C)C)[*:1])c(C)c1
Cc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)c(C)c1 CN(C)[*:1] Cc1ccc(C(=O)NC[C@H](c2cccs2)[*:1])c(C)c1
Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)c3ccccc3F)cc21 c1ccc(cc1)[*:1] Cn1c(=O)c(=O)n(C)c2cc(O[*:1])c(cc21)NC(=O)c1ccccc1F
Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)c3ccccc3F)cc21 c1ccc(cc1)O[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)NC(=O)c1ccccc1F)[*:1]
Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)c3ccccc3F)cc21 O=C(N[*:1])c1ccccc1F Cn1c(=O)c(=O)n(C)c2cc(c(cc21)Oc1ccccc1)[*:1]
Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)c3ccccc3F)cc21 Fc1ccccc1[*:1] Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(cc21)NC(=O)[*:1]
Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)N2CCN(c4ccccc4)CC2)CCCC3)n1 Cc1cc(C)n(n1)[*:1] O=C(Cn1c(nc2CCCCc2c1=O)[*:1])N1CCN(CC1)c1ccccc1
Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)N2CCN(c4ccccc4)CC2)CCCC3)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1nc2CCCCc2c(=O)n1CC(=O)N1CCN(CC1)[*:1]
CC(C)CCN1C(=O)c2ccc(C(=O)Nc3c[nH]c(=O)[nH]c3=O)cc2C1=O CC(C)C[*:1] O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
CC(C)CCN1C(=O)c2ccc(C(=O)Nc3c[nH]c(=O)[nH]c3=O)cc2C1=O CC(C)CC[*:1] O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC(C)CCN1C(=O)c2ccc(C(=O)Nc3c[nH]c(=O)[nH]c3=O)cc2C1=O CC(C)[*:1] O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc2C(=O)N(CC[*:1])C(=O)c2c1
CC(C)CCN1C(=O)c2ccc(C(=O)Nc3c[nH]c(=O)[nH]c3=O)cc2C1=O O=c1[nH]cc(c(=O)[nH]1)[*:1] CC(C)CCN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
CCCSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 CCCS[*:1] O=c1cc(nc([nH]1)-c1ccncc1)[C@@H]1CCCN(Cc2cnc(nc2)[*:1])C1
CCCSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 CCC[*:1] O=c1cc(nc([nH]1)-c1ccncc1)[C@@H]1CCCN(Cc2cnc(nc2)S[*:1])C1
CCCSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 CCCSc1ncc(cn1)[*:1] O=c1cc(nc([nH]1)-c1ccncc1)[C@@H]1CCCN(C1)C[*:1]
CCCSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 c1cc(ccn1)[*:1] CCCSc1ncc(cn1)CN1CCC[C@H](C1)c1cc(=O)[nH]c(n1)[*:1]
CCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)[C@@]1(C)CCCO1 CCC[*:1] C[C@@]1(CCCO1)[C@@H]([NH2+][*:1])c1ccc2OCCOc2c1
O=C(NCC[NH+]1CCCCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCC[NH+]1CCCCCC1)[C@H]1CC(=O)N(CC[*:1])C1
O=C(NCC[NH+]1CCCCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(NCC[NH+]1CCCCCC1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(NCC[NH+]1CCCCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(NCC[NH+]1CCCCCC1)[C@H]1CC(=O)N(C1)[*:1]
C=C1C=C([O-])N2C(=NC(Nc3ccc(C)cc3)=N[C@H]2c2ccc(O)cc2)N1 Oc1ccc(cc1)[*:1] C=C1C=C([O-])N2C(=NC(=N[C@@H]2[*:1])Nc2ccc(C)cc2)N1
C=C1C=C([O-])N2C(=NC(Nc3ccc(C)cc3)=N[C@H]2c2ccc(O)cc2)N1 Cc1ccc(cc1)[*:1] C=C1C=C([O-])N2C(=NC(=N[C@H]2c2ccc(O)cc2)N[*:1])N1
CCc1cnc(CCNC(=O)[C@H]2CCC(=O)N2)s1 O=C1CC[C@@H](N1)[*:1] CCc1cnc(CCNC(=O)[*:1])s1
O=C(N[C@@H](CO)c1ccco1)[C@H]1CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)O[*:1] O=C(N[C@@H](CO)c1ccco1)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(N[C@@H](CO)c1ccco1)[C@H]1CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)OC[*:1] O=C(N[C@@H](CO)c1ccco1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(N[C@@H](CO)c1ccco1)[C@H]1CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(N[C@@H](CO)c1ccco1)[C@H]1CCCN(C1)C(=O)CO[*:1]
O=C(N[C@@H](CO)c1ccco1)[C@H]1CCCN(C(=O)COc2ccccc2)C1 c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])[C@H]1CCCN(C1)C(=O)COc1ccccc1
CC(C)n1nccc1NC(=O)[C@@H](C)SC1=NCCS1 CC(C)[*:1] C[C@@H](SC1=NCCS1)C(=O)Nc1ccnn1[*:1]
Cc1cccc(C)c1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21 Cc1cccc(C)c1[*:1] O=C(CN1N=N[C@H]2C(=O)N(C(=O)[C@@H]21)c1ccc(F)c(Cl)c1)N[*:1]
Cc1cccc(C)c1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21 Fc1ccc(cc1Cl)[*:1] Cc1cccc(C)c1NC(=O)CN1N=N[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1]
COc1ccc(CCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CCC(=O)NCC1(CCOCC1)[*:1]
COc1ccc(CCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])NCC1(CCOCC1)c1ccccc1
CC(C)NC(=O)NCCc1csc(-c2ccccc2)n1 CC(C)[*:1] O=C(NCCc1csc(n1)-c1ccccc1)N[*:1]
CC(C)NC(=O)NCCc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)NC(=O)NCCc1csc(n1)[*:1]
Cc1cc(C)cc(N(C)c2cccc(F)c2C(N)=S)c1 NC(=S)[*:1] Cc1cc(C)cc(c1)N(C)c1cccc(F)c1[*:1]
Cc1cccc(Nc2ncnc(Nc3cccc4ccc(C)nc34)c2[N+](=O)[O-])n1 Cc1cccc(n1)N[*:1] Cc1ccc2cccc(Nc3ncnc(c3[N+](=O)[O-])[*:1])c2n1
Cc1cccc(Nc2ncnc(Nc3cccc4ccc(C)nc34)c2[N+](=O)[O-])n1 Cc1cccc(n1)[*:1] Cc1ccc2cccc(Nc3ncnc(N[*:1])c3[N+](=O)[O-])c2n1
Cc1cccc(Nc2ncnc(Nc3cccc4ccc(C)nc34)c2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1cccc(n1)Nc1ncnc(Nc2cccc3ccc(C)nc23)c1[*:1]
C=C(C)C[NH+]1CCC(N/C(NCc2cc(F)ccc2F)=[NH+]\C)CC1 Fc1ccc(F)c(c1)[*:1] C=C(C)C[NH+]1CCC(CC1)N/C(NC[*:1])=[NH+]\C
C=C(C)C[NH+]1CCC(N/C(NCc2cc(F)ccc2F)=[NH+]\C)CC1 C=C(C)C[*:1] C/[NH+]=C(/NCc1cc(F)ccc1F)NC1CC[NH+](CC1)[*:1]
C=C(C)C[NH+]1CCC(N/C(NCc2cc(F)ccc2F)=[NH+]\C)CC1 C=C(C)[*:1] C/[NH+]=C(/NCc1cc(F)ccc1F)NC1CC[NH+](CC1)C[*:1]
CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[*:1]
CCC[NH2+][C@@H](Cc1ccc(C)cn1)c1c(F)cccc1F Cc1ccc(nc1)[*:1] CCC[NH2+][C@@H](C[*:1])c1c(F)cccc1F
CCC[NH2+][C@@H](Cc1ccc(C)cn1)c1c(F)cccc1F CCC[*:1] Cc1ccc(C[C@H]([NH2+][*:1])c2c(F)cccc2F)nc1
CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccccn2)C3)CC1 CCC[*:1] c1ccc(CN2CCc3nc(ncc3C2)N2CC[NH+](CC2)[*:1])nc1
CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccccn2)C3)CC1 c1ccc(C[*:1])nc1 CCC[NH+]1CCN(CC1)c1ncc2CN(CCc2n1)[*:1]
CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccccn2)C3)CC1 c1ccc(nc1)[*:1] CCC[NH+]1CCN(CC1)c1ncc2CN(CCc2n1)C[*:1]
Cc1nc(C(F)(F)F)ccc1C(=O)OCCn1c([N+](=O)[O-])cnc1C FC(F)(F)[*:1] Cc1nc(ccc1C(=O)OCCn1c(cnc1C)[N+](=O)[O-])[*:1]
Cc1nc(C(F)(F)F)ccc1C(=O)OCCn1c([N+](=O)[O-])cnc1C O=[N+]([O-])[*:1] Cc1nc(ccc1C(=O)OCCn1c(cnc1C)[*:1])C(F)(F)F
CCc1nn(C)c(C(=O)N/N=C/c2ccccc2)c1Cl c1ccc(cc1)[*:1] CCc1nn(C)c(C(=O)NN=C[*:1])c1Cl
COc1cccc2sc(N3CC[NH+](CCNC(=O)c4cccc(Br)c4)CC3)nc12 Brc1cccc(c1)[*:1] COc1cccc2sc(nc12)N1CC[NH+](CCNC(=O)[*:1])CC1
COc1ccc(C(=O)NNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Br O=[N+]([O-])[*:1] COc1ccc(cc1Br)C(=O)NNC(=O)/C=C/c1cccc(c1)[*:1]
Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)ccc1F Cc1cc(ccc1F)[*:1] O=C1Nc2ccccc2Oc2ccc(cc21)NS(=O)(=O)[*:1]
O=C(COC/C=C/c1ccccc1)NCc1csc(=O)[nH]1 O=c1[nH]c(cs1)C[*:1] O=C(COC/C=C/c1ccccc1)N[*:1]
O=C(COC/C=C/c1ccccc1)NCc1csc(=O)[nH]1 O=c1[nH]c(cs1)[*:1] O=C(COC/C=C/c1ccccc1)NC[*:1]
O=C(COC/C=C/c1ccccc1)NCc1csc(=O)[nH]1 c1ccc(cc1)[*:1] O=C(COCC=C[*:1])NCc1csc(=O)[nH]1
O=[N+]([O-])c1c(OC2CCCCC2)ncnc1N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)[*:1])OC1CCCCC1
O=[N+]([O-])c1c(OC2CCCCC2)ncnc1N1CCN(c2ccc(F)cc2)CC1 C1CCC(CC1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)c1ccc(F)cc1)O[*:1]
O=[N+]([O-])c1c(OC2CCCCC2)ncnc1N1CCN(c2ccc(F)cc2)CC1 O=[N+]([O-])[*:1] Fc1ccc(cc1)N1CCN(CC1)c1ncnc(OC2CCCCC2)c1[*:1]
O=[N+]([O-])c1c(OC2CCCCC2)ncnc1N1CCN(c2ccc(F)cc2)CC1 C1CCC(CC1)O[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(NNc1ncccc1C(F)(F)F)c1c(Cl)cccc1Cl FC(F)(F)[*:1] O=C(NNc1ncccc1[*:1])c1c(Cl)cccc1Cl
CC1([C@](C)(Nc2cccc(Cl)c2)C(=O)[O-])CC1 CC1(CC1)[*:1] C[C@](Nc1cccc(Cl)c1)(C(=O)[O-])[*:1]
CC1([C@](C)(Nc2cccc(Cl)c2)C(=O)[O-])CC1 O=C([O-])[*:1] CC1(CC1)[C@](C)(Nc1cccc(Cl)c1)[*:1]
O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N[C@H](c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N[C@H](c1ccccc1)[*:1]
O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N[C@H](c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N[C@H](c1cccs1)[*:1]
CC(C)(C)OC1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 CC(C)(C)O[*:1] Brc1ccc2OCC(=Cc2c1)C[NH+]1CCC(CC1)[*:1]
CC(C)(C)OC1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 CC(C)(C)[*:1] Brc1ccc2OCC(=Cc2c1)C[NH+]1CCC(CC1)O[*:1]
COC(=O)c1ccc(CS[C@@H]2N=[NH+][C@H](c3ccccc3OC)N2)o1 COC(=O)[*:1] COc1ccccc1[C@@H]1N[C@@H](N=[NH+]1)SCc1ccc(o1)[*:1]
COC(=O)c1ccc(CS[C@@H]2N=[NH+][C@H](c3ccccc3OC)N2)o1 COc1ccccc1[*:1] COC(=O)c1ccc(CS[C@@H]2N=[NH+][C@H](N2)[*:1])o1
COc1ccc(C(=O)NC(=O)CS[C@H](C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)NC(=O)CS[C@H](C)[*:1]
C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C3CC3)C2)cc1 C1CC1[*:1] C[NH+](C)CCc1ccc(cc1)NC(=O)C(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CCc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 CCc1ccc(cc1)[*:1] O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1 COC(=O)[*:1] O=[N+]([O-])c1cccc(c1)-c1ccc(CN2C[C@H](O)C[C@H]2[*:1])s1
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(s1)-c1cccc(c1)[*:1]
O=C(C[C@@H]1CCCN1C(=O)c1ncn(-c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ncn(n1)-c1ccccc1)N1CCC[C@H]1CC(=O)[*:1]
O=C(C[C@@H]1CCCN1C(=O)c1ncn(-c2ccccc2)n1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(c1ncn(n1)-c1ccccc1)N1CCC[C@H]1C[*:1]
O=C(C[C@@H]1CCCN1C(=O)c1ncn(-c2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1CCCN1C(=O)c1ncn(n1)[*:1])c1ccccc1
O=C(C[C@@H]1CCCN1C(=O)c1ncn(-c2ccccc2)n1)c1ccccc1 O=C(C[*:1])c1ccccc1 O=C(c1ncn(n1)-c1ccccc1)N1CCC[C@H]1[*:1]
C[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(C#N)cc1 Clc1c[nH]c(c1)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(C#N)cc1
CCn1c(CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)nc2ccccc21 c1ccc(cc1)[*:1] CCn1c(CNC(=O)N2CCC(CC2)C(=O)[*:1])nc2ccccc21
CCn1c(CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)nc2ccccc21 O=C(c1ccccc1)[*:1] CCn1c(CNC(=O)N2CCC(CC2)[*:1])nc2ccccc21
Cc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)c1 FC(F)(F)[*:1] Cc1cccc(c1)C(=O)N1CCC[C@H](C1)C(=O)Nc1cccc(c1)[*:1]
Cc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)c1 Cc1cccc(c1)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)[*:1]
Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2scc(-c3ccccc3)c2c1=O c1cc2OCOc2cc1[*:1] Nn1c(nc2scc(-c3ccccc3)c2c1=O)SCC(=O)N[*:1]
Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2scc(-c3ccccc3)c2c1=O c1ccc(cc1)[*:1] Nn1c(nc2scc(c2c1=O)[*:1])SCC(=O)Nc1ccc2OCOc2c1
CNC(=O)NC(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 CNC(=O)NC(=O)[*:1] C[C@H](Sc1nc(nc2ccccc12)C(F)(F)F)[*:1]
CNC(=O)NC(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 FC(F)(F)[*:1] CNC(=O)NC(=O)[C@H](C)Sc1nc(nc2ccccc12)[*:1]
CNc1ccc(CNc2cc(F)ccc2OC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])CNc1cc(F)ccc1OC
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O1 Clc1cccc(c1Cl)[*:1] CCCC1OC(N)=C(C#N)[C@H](C=1C(=O)OCC)[*:1]
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O1 CCOC(=O)[*:1] CCCC1OC(N)=C(C#N)[C@@H](C=1[*:1])c1cccc(Cl)c1Cl
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O1 CCC[*:1] CCOC(=O)C1=C(OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1Cl)[*:1]
COc1cc(/C=C2/NC(=S)NC2=O)ccc1OC(=O)c1cccs1 O=C(O[*:1])c1cccs1 COc1cc(/C=C2/NC(=S)NC2=O)ccc1[*:1]
COc1cc(/C=C2/NC(=S)NC2=O)ccc1OC(=O)c1cccs1 c1csc(c1)[*:1] COc1cc(/C=C2/NC(=S)NC2=O)ccc1OC(=O)[*:1]
COc1cc(/C=C2/NC(=S)NC2=O)ccc1OC(=O)c1cccs1 O=C1NC(=S)NC1=C[*:1] COc1cc(ccc1OC(=O)c1cccs1)[*:1]
CCn1c(SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N1CCC[C@@H]2CCCC[C@H]21
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 c1cc(ccn1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(-c2ccncc2)n1[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N[*:1]
CCCc1nc(CNc2ccccc2CC(F)(F)F)cs1 CCC[*:1] FC(F)(F)Cc1ccccc1NCc1csc(n1)[*:1]
CCCc1nc(CNc2ccccc2CC(F)(F)F)cs1 FC(F)(F)[*:1] CCCc1nc(cs1)CNc1ccccc1C[*:1]
CCCc1nc(CNc2ccccc2CC(F)(F)F)cs1 FC(F)(F)C[*:1] CCCc1nc(cs1)CNc1ccccc1[*:1]
COCCN(C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[C@@H](C)COC COC[*:1] COCCN(C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[C@@H](C)[*:1]
COCCN(C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[C@@H](C)COC O=C([O-])[*:1] COCCN(C(=O)N1CC[C@H]([C@H]1C)[*:1])[C@@H](C)COC
COCCN(C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[C@@H](C)COC COC[C@H](C)[*:1] COCCN(C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[*:1]
COCCN(C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[C@@H](C)COC COC[*:1] COC[C@H](C)N(C[*:1])C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C
COCCN(C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[C@@H](C)COC COCC[*:1] COC[C@H](C)N(C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[*:1]
C[C@H]1C[C@@H]([NH3+])CN(C(=O)[C@@H]2CCCS2)C1 C1CS[C@@H](C1)[*:1] C[C@H]1C[C@@H]([NH3+])CN(C1)C(=O)[*:1]
Fc1ccc2ncnc(NCc3cccnc3)c2c1 c1cncc(c1)[*:1] Fc1ccc2ncnc(NC[*:1])c2c1
CCOCCN1C(=O)[C@@H](n2nnc3ccccc32)[C@H]1c1cccs1 CCO[*:1] O=C1[C@H]([C@@H](c2cccs2)N1CC[*:1])n1nnc2ccccc21
CCOCCN1C(=O)[C@@H](n2nnc3ccccc32)[C@H]1c1cccs1 CCOC[*:1] O=C1[C@H]([C@@H](c2cccs2)N1C[*:1])n1nnc2ccccc21
CCOCCN1C(=O)[C@@H](n2nnc3ccccc32)[C@H]1c1cccs1 c1csc(c1)[*:1] CCOCCN1C(=O)[C@H]([C@@H]1[*:1])n1nnc2ccccc21
CCOCCN1C(=O)[C@@H](n2nnc3ccccc32)[C@H]1c1cccs1 CCOCC[*:1] O=C1[C@H]([C@@H](c2cccs2)N1[*:1])n1nnc2ccccc21
O=C(N[C@H](CCO)C(=O)[O-])c1nc(C2CC2)n[nH]1 O=C([O-])[*:1] O=C(N[C@H](CCO)[*:1])c1nc(n[nH]1)C1CC1
O=C(N[C@H](CCO)C(=O)[O-])c1nc(C2CC2)n[nH]1 OCC[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1nc(n[nH]1)C1CC1
O=C(N[C@H](CCO)C(=O)[O-])c1nc(C2CC2)n[nH]1 C1CC1[*:1] O=C(N[C@H](CCO)C(=O)[O-])c1nc(n[nH]1)[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCC[C@@H](C(C)(C)C)CC1 Cc1noc(C)c1[*:1] CC(C)(C)[C@@H]1CCCN(CC1)C(=O)NCCC[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCC[C@@H](C(C)(C)C)CC1 CC(C)(C)[*:1] Cc1noc(C)c1CCCNC(=O)N1CCC[C@@H](CC1)[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCC[C@@H](C(C)(C)C)CC1 Cc1noc(C)c1C[*:1] CC(C)(C)[C@@H]1CCCN(CC1)C(=O)NCC[*:1]
Cc1ccc(C(C)C)cc1OC/C([O-])=C(/C#N)C(=O)Nc1ccccn1 CC(C)[*:1] Cc1ccc(cc1OC/C([O-])=C(/C#N)C(=O)Nc1ccccn1)[*:1]
Cc1ccc(C(C)C)cc1OC/C([O-])=C(/C#N)C(=O)Nc1ccccn1 c1ccc(nc1)[*:1] Cc1ccc(cc1OC/C([O-])=C(/C#N)C(=O)N[*:1])C(C)C
Cc1ncccc1CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C Cc1ncccc1[*:1] C[C@H]1CN(CCN1C[*:1])C(=O)OC(C)(C)C
Cc1ncccc1CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C CC(C)(C)[*:1] Cc1ncccc1CN1CCN(C[C@@H]1C)C(=O)O[*:1]
CC(C)n1ncc(C(=O)N[C@@H]2CCc3ccccc32)c1C(F)(F)F CC(C)[*:1] O=C(N[C@@H]1CCc2ccccc21)c1cnn(c1C(F)(F)F)[*:1]
CC(C)n1ncc(C(=O)N[C@@H]2CCc3ccccc32)c1C(F)(F)F FC(F)(F)[*:1] CC(C)n1ncc(C(=O)N[C@@H]2CCc3ccccc32)c1[*:1]
CCOc1ccc(C#N)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] CCO[*:1] N#Cc1ccc(c(c1)NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])[*:1]
CCOc1ccc(C#N)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] CCOc1ccc(C#N)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
CS[C@H](C)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 CS[C@H](C)[*:1] C[C@@H](c1ccccc1)[C@@H](C)[NH2+]C[*:1]
Cc1nnc(CN(C(=O)c2nc(C3CC3)n3ccccc23)C(C)(C)C)o1 CC(C)(C)[*:1] Cc1nnc(CN(C(=O)c2nc(C3CC3)n3ccccc23)[*:1])o1
Cc1nnc(CN(C(=O)c2nc(C3CC3)n3ccccc23)C(C)(C)C)o1 Cc1nnc(o1)[*:1] CC(C)(C)N(C[*:1])C(=O)c1nc(C2CC2)n2ccccc12
Cc1nnc(CN(C(=O)c2nc(C3CC3)n3ccccc23)C(C)(C)C)o1 Cc1nnc(C[*:1])o1 CC(C)(C)N(C(=O)c1nc(C2CC2)n2ccccc12)[*:1]
Cc1nnc(CN(C(=O)c2nc(C3CC3)n3ccccc23)C(C)(C)C)o1 C1CC1[*:1] Cc1nnc(CN(C(=O)c2nc(n3ccccc23)[*:1])C(C)(C)C)o1
CN(C(=O)c1cccc(OC(F)F)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O FC(F)[*:1] CN(C(=O)c1cccc(c1)O[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
CN(C(=O)c1cccc(OC(F)F)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)c1cccc(c1)OC(F)F)[C@H]1CCCC[C@H]1[*:1]
CN(C(=O)c1cccc(OC(F)F)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O FC(F)O[*:1] CN(C(=O)c1cccc(c1)[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2CCNC(C)=O)cc1 O=C(c1ccc(Cl)cc1)[*:1] COc1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1CCNC(C)=O)[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2CCNC(C)=O)cc1 CC(=O)NC[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1C[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2CCNC(C)=O)cc1 CC(=O)NCC[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2CCNC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)NCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1[*:1]
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2CCNC(C)=O)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CCNC(C)=O
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2CCNC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1CC[*:1]
O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cnccn1)c1ccccc1F c1cnc(cn1)[*:1] O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)[*:1])c1ccccc1F
O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cnccn1)c1ccccc1F Fc1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@H](N(C(=O)c1cnccn1)c1ccccc1F)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cnccn1)c1ccccc1F Fc1ccccc1[*:1] O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cnccn1)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cnccn1)c1ccccc1F O=C(NC1CCCCC1)[*:1] O=C(c1cnccn1)N(c1ccccc1F)[C@@H](c1ccc(F)cc1)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cnccn1)c1ccccc1F C1CCC(CC1)[*:1] O=C(N[*:1])[C@H](c1ccc(F)cc1)N(C(=O)c1cnccn1)c1ccccc1F
Cc1cc(C(=O)N2CCN(C)CC2)sc1C#CCCO OCC[*:1] Cc1cc(sc1C#C[*:1])C(=O)N1CCN(C)CC1
Cc1cc(C(=O)N2CCN(C)CC2)sc1C#CCCO OCCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N1CCN(C)CC1
CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 c1coc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nc(n[nH]1)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 CC(=O)[*:1] O=C(CSc1nc(n[nH]1)-c1ccco1)Nc1ccc(cc1)[*:1]
C/C(=N/OC(=O)Nc1ccc(Cl)cc1)c1ccco1 c1coc(c1)[*:1] CC(=NOC(=O)Nc1ccc(Cl)cc1)[*:1]
CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc12 FC(F)(F)[*:1] CC(C)(C)Cc1noc2ncc(cc12)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc12 CC(C)(C)[*:1] O=C(N[C@H]1CCC[C@@H](C1)C(F)(F)F)c1cnc2onc(C[*:1])c2c1
CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc12 CC(C)(C)C[*:1] O=C(N[C@H]1CCC[C@@H](C1)C(F)(F)F)c1cnc2onc(c2c1)[*:1]
Cc1c(NC(=O)C(C)(C)F)cccc1C(=O)N1CCSCC1 CC(C)(F)C(=O)N[*:1] Cc1c(cccc1[*:1])C(=O)N1CCSCC1
Cc1c(NC(=O)C(C)(C)F)cccc1C(=O)N1CCSCC1 CC(C)(F)[*:1] Cc1c(cccc1C(=O)N1CCSCC1)NC(=O)[*:1]
COc1ccc2nc(Nc3ncnc(N4CCC[C@H](C)C4)c3[N+](=O)[O-])sc2c1 C[C@H]1CCCN(C1)[*:1] COc1ccc2nc(Nc3ncnc(c3[N+](=O)[O-])[*:1])sc2c1
COc1ccc2nc(Nc3ncnc(N4CCC[C@H](C)C4)c3[N+](=O)[O-])sc2c1 O=[N+]([O-])[*:1] COc1ccc2nc(Nc3ncnc(c3[*:1])N3CCC[C@H](C)C3)sc2c1
CCc1ccc(N2CN(C[C@@H]3CCCO3)Cn3c2nc(C)c(C)c3=O)cc1 CCc1ccc(cc1)[*:1] Cc1nc2N(CN(C[C@@H]3CCCO3)Cn2c(=O)c1C)[*:1]
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NOCc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NOC[*:1]
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NOCc1ccccc1 CC(C)[*:1] O=C(N[C@H](C(=O)NOCc1ccccc1)[*:1])c1c(F)cccc1F
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NOCc1ccccc1 Fc1cccc(F)c1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)NOCc1ccccc1
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NOCc1ccccc1 c1ccc(cc1)C[*:1] CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NO[*:1]
CCCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)nc2ccc(C)cn12 CCC[*:1] COc1ccc(cc1OC)-c1nc2ccc(C)cn2c1NC(=O)[*:1]
CCCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)nc2ccc(C)cn12 CCCC(=O)N[*:1] COc1ccc(cc1OC)-c1nc2ccc(C)cn2c1[*:1]
NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 NC(=O)[*:1] O=S(=O)(c1ccccc1)N1CCN([C@H](C1)[*:1])S(=O)(=O)c1ccccc1
NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CN(CCN1S(=O)(=O)c1ccccc1)S(=O)(=O)[*:1]
NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CN(CCN1S(=O)(=O)[*:1])S(=O)(=O)c1ccccc1
O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1F Clc1ccccc1[*:1] O=C(NC[C@@H](O)[*:1])c1ccc(cc1F)[N+](=O)[O-]
O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc(cc1F)[*:1]
COc1ccc(/C=c2\sc3nnc(-c4ccc(OC)c(OC)c4)n3c2=O)cc1OC COc1ccc(cc1OC)[*:1] COc1ccc(cc1OC)-c1nnc2sc(=C[*:1])c(=O)n12
COc1ccc(/C=c2\sc3nnc(-c4ccc(OC)c(OC)c4)n3c2=O)cc1OC COc1ccc(cc1OC)[*:1] COc1ccc(/C=c2\sc3nnc(n3c2=O)[*:1])cc1OC
CS[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] CS[C@@H]1CCC[C@H]1Nc1ccc(cc1F)[*:1]
Cn1cccc1[C@@H](O)CNC(=O)C(=O)Nc1ccccc1 Cn1cccc1[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1ccccc1
Cn1cccc1[C@@H](O)CNC(=O)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cn1cccc1[C@@H](O)CNC(=O)C(=O)N[*:1]
COc1cccc(Oc2ccc(-n3cccc3C=O)cn2)c1 O=Cc1cccn1[*:1] COc1cccc(c1)Oc1ccc(cn1)[*:1]
CC[NH+]1CCN(c2ccccc2NC(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] CC[NH+]1CCN(CC1)c1ccccc1NC(=O)[*:1]
COc1ccccc1Oc1cncc([C@H]2CCCN(Cc3[nH+]ccn3C)C2)n1 COc1ccccc1[*:1] Cn1cc[nH+]c1CN1CCC[C@@H](C1)c1cncc(n1)O[*:1]
COc1ccccc1Oc1cncc([C@H]2CCCN(Cc3[nH+]ccn3C)C2)n1 COc1ccccc1O[*:1] Cn1cc[nH+]c1CN1CCC[C@@H](C1)c1cncc(n1)[*:1]
C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](O)C[NH2+]Cc1ccc(cc1)[*:1]
CN(C[C@H](O)C1CC1)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)Cc1csc(n1)-c1ccc2OCOc2c1
CCN(C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)[*:1]
CC(C)N(C)S(=O)(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 CC(C)[*:1] C[C@@H]1CCCCN1C(=O)CN1CCN(CC1)S(=O)(=O)N(C)[*:1]
Cn1nc(N2CCN(c3ccc(O)cc3)CC2)c(=O)n(C)c1=O Oc1ccc(cc1)[*:1] Cn1nc(c(=O)n(C)c1=O)N1CCN(CC1)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1c1nccs1 c1csc(c1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](N1c1nccs1)[*:1]
O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1c1nccs1 c1csc(n1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1[*:1]
COc1ccc(S(=O)(=O)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)[C@H](C)S(=O)(=O)[*:1])c(C)c1
C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(-n2cncn2)cc1 Fc1cc(F)cc(c1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-n1cncn1
O=C(NCc1cc(Br)cs1)[C@@H]1Cc2cc(Cl)ccc2O1 Brc1csc(c1)[*:1] O=C(NC[*:1])[C@@H]1Cc2cc(Cl)ccc2O1
CC(=O)c1ccccc1C(=O)NCc1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] CC(=O)c1ccccc1C(=O)NCc1cccc(c1)C[*:1]
CC(=O)c1ccccc1C(=O)NCc1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] CC(=O)c1ccccc1C(=O)NCc1cccc(c1)[*:1]
CC(=O)c1ccccc1C(=O)NCc1cccc(CN2CCCC2=O)c1 CC(=O)[*:1] O=C(NCc1cccc(c1)CN1CCCC1=O)c1ccccc1[*:1]
CCCCN(C(=O)CN1[C@@H](C)COC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 CCC[*:1] C[C@H]1COC[C@H](C)N1CC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCCCN(C(=O)CN1[C@@H](C)COC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] C[C@H]1COC[C@H](C)N1CC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)CN1[C@@H](C)COC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCN(C(=O)CN1[C@@H](C)COC[C@@H]1C)[*:1]
O=C(COc1ccc2ccccc2c1)NCCCn1cccc1 c1ccn(c1)CC[*:1] O=C(COc1ccc2ccccc2c1)NC[*:1]
O=C(COc1ccc2ccccc2c1)NCCCn1cccc1 c1ccn(c1)[*:1] O=C(COc1ccc2ccccc2c1)NCCC[*:1]
O=C(COc1ccc2ccccc2c1)NCCCn1cccc1 c1ccn(c1)C[*:1] O=C(COc1ccc2ccccc2c1)NCC[*:1]
CCN(C)[C@@H](C[NH3+])c1ccccc1OC(F)F FC(F)O[*:1] CCN(C)[C@@H](C[NH3+])c1ccccc1[*:1]
CCN(C)[C@@H](C[NH3+])c1ccccc1OC(F)F CCN(C)[*:1] [NH3+]C[C@@H](c1ccccc1OC(F)F)[*:1]
CCN(C)[C@@H](C[NH3+])c1ccccc1OC(F)F FC(F)[*:1] CCN(C)[C@@H](C[NH3+])c1ccccc1O[*:1]
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cc2ccccc2oc1=O Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])NNC(=O)c1cc2ccccc2oc1=O
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cc2ccccc2oc1=O Clc1ccc(O[*:1])c(Cl)c1 O=C(C[*:1])NNC(=O)c1cc2ccccc2oc1=O
C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)Nc1ccc2C(=O)NC(=O)c2c1)[*:1]
COc1ccc(NC(=O)N[C@@H](C)c2ccccc2C)cc1N1CCCC1=O Cc1ccccc1[C@H](C)[*:1] COc1ccc(cc1N1CCCC1=O)NC(=O)N[*:1]
COc1ccc(NC(=O)N[C@@H](C)c2ccccc2C)cc1N1CCCC1=O O=C1CCCN1[*:1] COc1ccc(cc1[*:1])NC(=O)N[C@@H](C)c1ccccc1C
COc1ccc(NC(=O)N[C@@H](C)c2ccccc2C)cc1N1CCCC1=O Cc1ccccc1[*:1] COc1ccc(cc1N1CCCC1=O)NC(=O)N[C@@H](C)[*:1]
C[C@H](C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)n1cncn1 c1ccc(nc1)[*:1] C[C@H](C(=O)N(C[*:1])c1ccc(Cl)cc1)n1cncn1
C[C@H](C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)[*:1]
C[C@H](C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)n1cncn1 Clc1ccc(cc1)[*:1] C[C@H](C(=O)N(Cc1ccccn1)[*:1])n1cncn1
C[C@H](C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)n1cncn1 c1ccc(C[*:1])nc1 C[C@H](C(=O)N(c1ccc(Cl)cc1)[*:1])n1cncn1
CC[C@@H](C(=O)Nc1c(C#N)c(C)nn1-c1nc(C)cc(C)n1)c1ccccc1 Cc1cc(C)nc(n1)[*:1] CC[C@@H](C(=O)Nc1c(C#N)c(C)nn1[*:1])c1ccccc1
CC[C@@H](C(=O)Nc1c(C#N)c(C)nn1-c1nc(C)cc(C)n1)c1ccccc1 CC[C@@H](c1ccccc1)[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(C#N)c1NC(=O)[*:1]
CC[C@@H](C(=O)Nc1c(C#N)c(C)nn1-c1nc(C)cc(C)n1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1c(C#N)c(C)nn1-c1nc(C)cc(C)n1)[*:1]
Cc1ccc2ncc(C(=O)N3C[C@@H](c4ccccc4C)C[C@H]3C)c(=O)n2c1 Cc1ccccc1[*:1] Cc1ccc2ncc(C(=O)N3C[C@@H](C[C@H]3C)[*:1])c(=O)n2c1
CCCN(C(=O)[C@@H]1C=C2C(=O)[NH+]=c3ccc(C)cc3=C2S1)c1ccc(OCC)cc1 CCOc1ccc(cc1)[*:1] CCCN(C(=O)[C@@H]1C=C2C(=O)[NH+]=c3ccc(C)cc3=C2S1)[*:1]
CCCN(C(=O)[C@@H]1C=C2C(=O)[NH+]=c3ccc(C)cc3=C2S1)c1ccc(OCC)cc1 CCO[*:1] CCCN(C(=O)[C@@H]1C=C2C(=O)[NH+]=c3ccc(C)cc3=C2S1)c1ccc(cc1)[*:1]
CCCN(C(=O)[C@@H]1C=C2C(=O)[NH+]=c3ccc(C)cc3=C2S1)c1ccc(OCC)cc1 CCC[*:1] CCOc1ccc(cc1)N(C(=O)[C@@H]1C=C2C(=O)[NH+]=c3ccc(C)cc3=C2S1)[*:1]
FC(F)(F)Oc1ccc(CNCCc2nnc3ccccn23)cc1 FC(F)(F)[*:1] c1ccn2c(CCNCc3ccc(cc3)O[*:1])nnc2c1
FC(F)(F)Oc1ccc(CNCCc2nnc3ccccn23)cc1 FC(F)(F)O[*:1] c1ccn2c(CCNCc3ccc(cc3)[*:1])nnc2c1
Oc1ccccc1-c1nn2c(COc3ccccc3)nnc2s1 c1ccc(cc1)O[*:1] Oc1ccccc1-c1nn2c(C[*:1])nnc2s1
Oc1ccccc1-c1nn2c(COc3ccccc3)nnc2s1 Oc1ccccc1[*:1] c1ccc(cc1)OCc1nnc2sc(nn12)[*:1]
Oc1ccccc1-c1nn2c(COc3ccccc3)nnc2s1 c1ccc(cc1)[*:1] Oc1ccccc1-c1nn2c(CO[*:1])nnc2s1
Cc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)C(C)(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)[C@@]1(O)CC(=NN1C(=O)[*:1])C(F)(F)F
Cc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)C(C)(C)C)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C(=O)N1N=C(C[C@]1(O)C(C)(C)C)[*:1]
Cc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)C(=O)N1N=C(C[C@@]1(O)[*:1])C(F)(F)F
C[C@@H](c1cccc2ccccc12)N(C(=O)CCCn1cncn1)C1CC1 C1CC1[*:1] C[C@@H](c1cccc2ccccc12)N(C(=O)CCCn1cncn1)[*:1]
C[C@@H](c1cccc2ccccc12)N(C(=O)CCCn1cncn1)C1CC1 c1ncn(n1)[*:1] C[C@@H](c1cccc2ccccc12)N(C(=O)CCC[*:1])C1CC1
C[C@@H](c1cccc2ccccc12)N(C(=O)CCCn1cncn1)C1CC1 c1ncn(CCC[*:1])n1 C[C@@H](c1cccc2ccccc12)N(C(=O)[*:1])C1CC1
C[C@@H](c1cccc2ccccc12)N(C(=O)CCCn1cncn1)C1CC1 c1ncn(CC[*:1])n1 C[C@@H](c1cccc2ccccc12)N(C(=O)C[*:1])C1CC1
C[C@@H](c1cccc2ccccc12)N(C(=O)CCCn1cncn1)C1CC1 c1ncn(C[*:1])n1 C[C@@H](c1cccc2ccccc12)N(C(=O)CC[*:1])C1CC1
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(C(C)C)no3)cc2)cc1 CC(C)c1cc(on1)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(C(C)C)no3)cc2)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)NC(=O)c1cc(no1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(C(C)C)no3)cc2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1cc(on1)C(=O)Nc1ccc(cc1)NS(=O)(=O)[*:1]
CCOC(=O)C1=NC(=S)N[C@H](c2cccc(Cl)c2)/C1=C(/[O-])C(C)C Clc1cccc(c1)[*:1] CCOC(=O)C1=NC(=S)N[C@H](/C1=C(/[O-])C(C)C)[*:1]
CCOC(=O)C1=NC(=S)N[C@H](c2cccc(Cl)c2)/C1=C(/[O-])C(C)C CC(C)[*:1] CCOC(=O)C1=NC(=S)N[C@@H](/C1=C(/[O-])[*:1])c1cccc(Cl)c1
Cc1nc(NC(=[NH2+])Nc2ccccc2)nc(O)c1C c1ccc(cc1)[*:1] Cc1nc(nc(O)c1C)NC(=[NH2+])N[*:1]
CC1=C[C@H](C)[C@@H](C(=O)[O-])[C@H](C(=O)Nc2cccnc2)C1 c1cncc(c1)[*:1] CC1=C[C@H](C)[C@@H](C(=O)[O-])[C@@H](C1)C(=O)N[*:1]
CC1=C[C@H](C)[C@@H](C(=O)[O-])[C@H](C(=O)Nc2cccnc2)C1 O=C([O-])[*:1] CC1=C[C@H](C)[C@@H]([C@@H](C1)C(=O)Nc1cccnc1)[*:1]
Cn1c(=O)n(C)c2cc(C[NH+]3CCC(O)(c4ccc(C(F)(F)F)cc4)CC3)ccc21 FC(F)(F)[*:1] Cn1c(=O)n(C)c2cc(ccc21)C[NH+]1CCC(O)(CC1)c1ccc(cc1)[*:1]
Cn1c(=O)n(C)c2cc(C[NH+]3CCC(O)(c4ccc(C(F)(F)F)cc4)CC3)ccc21 FC(F)(F)c1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(ccc21)C[NH+]1CCC(O)(CC1)[*:1]
COc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1S(=O)(=O)[N-]c1ccccc1Cl Fc1cccc(c1)C1(CCC1)[*:1] COc1ccc(cc1S(=O)(=O)[N-]c1ccccc1Cl)NC(=O)[*:1]
COc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1S(=O)(=O)[N-]c1ccccc1Cl Fc1cccc(c1)[*:1] COc1ccc(cc1S(=O)(=O)[N-]c1ccccc1Cl)NC(=O)C1(CCC1)[*:1]
COc1cc(CN(C)c2nccc(OCc3ccccc3)n2)ccc1O c1ccc(cc1)[*:1] COc1cc(ccc1O)CN(C)c1nccc(n1)OC[*:1]
COc1cc(CN(C)c2nccc(OCc3ccccc3)n2)ccc1O c1ccc(cc1)CO[*:1] COc1cc(ccc1O)CN(C)c1nccc(n1)[*:1]
COc1cc(CN(C)c2nccc(OCc3ccccc3)n2)ccc1O c1ccc(cc1)C[*:1] COc1cc(ccc1O)CN(C)c1nccc(n1)O[*:1]
CN(C)C(=O)CNC(=O)NC(C)(C)CC(C)(C)C CC(C)(C)[*:1] CN(C)C(=O)CNC(=O)NC(C)(C)C[*:1]
CN(C)C(=O)CNC(=O)NC(C)(C)CC(C)(C)C CN(C)C(=O)C[*:1] CC(C)(C)CC(C)(C)NC(=O)N[*:1]
CN(C)C(=O)CNC(=O)NC(C)(C)CC(C)(C)C CC(C)(C)C[*:1] CN(C)C(=O)CNC(=O)NC(C)(C)[*:1]
CN(C)C(=O)CNC(=O)NC(C)(C)CC(C)(C)C CN(C)C(=O)[*:1] CC(C)(C)CC(C)(C)NC(=O)NC[*:1]
Cc1ncsc1C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 Brc1ccc(cc1)[*:1] Cc1ncsc1C(=O)Nc1nc(c(C)s1)[*:1]
Cc1ncsc1C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 Cc1ncsc1[*:1] Cc1sc(nc1-c1ccc(Br)cc1)NC(=O)[*:1]
COc1ccc(CC[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CC[*:1]
COc1ccc(CC[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)CC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[*:1]
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 Fc1cc(Cl)ccc1[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1ccccc1
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1F)[*:1]
CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])-c1nn(cc1C=O)-c1ccccc1
CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] CCOc1ccc(cc1[N+](=O)[O-])-c1nn(cc1C=O)[*:1]
CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1[N+](=O)[O-] CCO[*:1] O=Cc1cn(nc1-c1ccc(c(c1)[N+](=O)[O-])[*:1])-c1ccccc1
CC[NH2+]Cc1c(C)n[nH]c1-c1cccc(O[C@@H](C)CC)c1 CC[C@H](C)O[*:1] CC[NH2+]Cc1c(C)n[nH]c1-c1cccc(c1)[*:1]
CC[NH2+]Cc1c(C)n[nH]c1-c1cccc(O[C@@H](C)CC)c1 CC[C@H](C)[*:1] CC[NH2+]Cc1c(C)n[nH]c1-c1cccc(c1)O[*:1]
CC(=O)Oc1ccc([C@H]2OC(c3nc4nc(C)cc(C)n4n3)=NN2C(C)=O)cc1 CC(=O)O[*:1] CC(=O)N1N=C(O[C@@H]1c1ccc(cc1)[*:1])c1nc2nc(C)cc(C)n2n1
O=C(Nc1nncs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1nncs1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
O=C(Nc1nncs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 c1nnc(s1)[*:1] O=C(N[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
CCOC(OCC)[C@@H](O)c1ccc(C(C)C)cc1 CCO[*:1] CCOC([C@@H](O)c1ccc(cc1)C(C)C)[*:1]
CCOC(OCC)[C@@H](O)c1ccc(C(C)C)cc1 CC(C)[*:1] CCOC(OCC)[C@@H](O)c1ccc(cc1)[*:1]
CC(=O)c1cc2c(cc1NC(=O)CCC(C)C)OCO2 CC(C)[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)CC[*:1]
CC(=O)c1cc2c(cc1NC(=O)CCC(C)C)OCO2 CC(C)CC[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)[*:1]
CC(=O)c1cc2c(cc1NC(=O)CCC(C)C)OCO2 CC(C)C[*:1] CC(=O)c1cc2OCOc2cc1NC(=O)C[*:1]
CC(=O)c1cc2c(cc1NC(=O)CCC(C)C)OCO2 CC(=O)[*:1] CC(C)CCC(=O)Nc1cc2OCOc2cc1[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1oc2ccccc2c1C[NH+](C)C CCC[*:1] C[NH+](C)Cc1c(oc2ccccc12)C(=O)N[C@H]1C[C@H]1[*:1]
CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccnc3ccccc23)c1 CS(=O)(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1ccnc2ccccc12
COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3c(C)cccc3C)nnc2-c2ccncc2)cc1 Cc1cccc(C)c1NC(=O)[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccncc1)S[C@@H](C)[*:1]
COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3c(C)cccc3C)nnc2-c2ccncc2)cc1 Cc1cccc(C)c1[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccncc1)S[C@@H](C)C(=O)N[*:1]
COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3c(C)cccc3C)nnc2-c2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-n1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1c(C)cccc1C
COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3c(C)cccc3C)nnc2-c2ccncc2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1[*:1]
CCCCNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] CCC[*:1] O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)NC[*:1]
CCCCNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] O=C([O-])[*:1] CCCCNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1[*:1]
CCCCNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] CCCC[*:1] O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)N[*:1]
CCOc1c(OC)cc(CN2CCO[C@]3(CCc4ccccc43)C2)cc1OC CCO[*:1] COc1cc(cc(OC)c1[*:1])CN1CCO[C@]2(CCc3ccccc32)C1
C[C@@H](CCc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 c1coc(c1)[*:1] C[C@@H](CC[*:1])[NH2+]Cc1ccc(c(F)c1)[N+](=O)[O-]
C[C@@H](CCc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 c1coc(c1)C[*:1] C[C@@H](C[*:1])[NH2+]Cc1ccc(c(F)c1)[N+](=O)[O-]
C[C@@H](CCc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(c(F)c1)[*:1]
C[C@@H](CCc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 c1coc(c1)CC[*:1] C[C@@H]([NH2+]Cc1ccc(c(F)c1)[N+](=O)[O-])[*:1]
O=C1COc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4F)C3)cc2N1 Fc1cc(Cl)ccc1[*:1] O=C1COc2ccc(cc2N1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])/N=C/c1cccn1-c1ccc(Cl)cc1
Cc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])/N=C/c1cccn1[*:1]
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCO[C@H](C)C2)c1C C[C@@H]1CN(CCO1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCO[C@H](C)C2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)N2CCO[C@H](C)C2)c(C)c1[*:1]
COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccccc1F)CC2 Fc1ccccc1C[*:1] COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](CC2)[*:1]
COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccccc1F)CC2 COC[*:1] O=C(N1CCc2[nH]cnc2C12CC[NH+](CC2)Cc1ccccc1F)[*:1]
COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccccc1F)CC2 Fc1ccccc1[*:1] COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](CC2)C[*:1]
CC(C)[C@@H](O)/C=C\c1cc2c(cc1Br)OCO2 CC(C)[*:1] O[C@@H](/C=C\c1cc2OCOc2cc1Br)[*:1]
CC(C)[C@@H](O)/C=C\c1cc2c(cc1Br)OCO2 CC(C)[C@@H](O)[*:1] Brc1cc2OCOc2cc1C=C[*:1]
O=c1[nH]c(-c2ccncc2)nc2scc(-c3cccs3)c12 c1csc(c1)[*:1] O=c1[nH]c(nc2scc(c12)[*:1])-c1ccncc1
O=c1[nH]c(-c2ccncc2)nc2scc(-c3cccs3)c12 c1cc(ccn1)[*:1] O=c1[nH]c(nc2scc(-c3cccs3)c12)[*:1]
Fc1ccc(-c2nnc(C[NH+](Cc3ccccc3F)C3CC3)o2)cc1 Fc1ccc(cc1)[*:1] Fc1ccccc1C[NH+](Cc1nnc(o1)[*:1])C1CC1
Fc1ccc(-c2nnc(C[NH+](Cc3ccccc3F)C3CC3)o2)cc1 Fc1ccccc1C[*:1] Fc1ccc(cc1)-c1nnc(C[NH+](C2CC2)[*:1])o1
Fc1ccc(-c2nnc(C[NH+](Cc3ccccc3F)C3CC3)o2)cc1 Fc1ccccc1[*:1] Fc1ccc(cc1)-c1nnc(C[NH+](C[*:1])C2CC2)o1
CCC[NH+]1CCCn2nc(CNS(=O)(=O)c3cccc(C#N)c3)cc2C1 N#Cc1cccc(c1)[*:1] CCC[NH+]1CCCn2nc(cc2C1)CNS(=O)(=O)[*:1]
CCC[NH+]1CCCn2nc(CNS(=O)(=O)c3cccc(C#N)c3)cc2C1 CCC[*:1] N#Cc1cccc(c1)S(=O)(=O)NCc1cc2C[NH+](CCCn2n1)[*:1]
CCCNc1ncc(C(=O)N[C@@H]2CCCC2(C)C)cc1Cl CCC[*:1] CC1(C)CCC[C@H]1NC(=O)c1cnc(N[*:1])c(Cl)c1
CCCNc1ncc(C(=O)N[C@@H]2CCCC2(C)C)cc1Cl CCCN[*:1] CC1(C)CCC[C@H]1NC(=O)c1cnc(c(Cl)c1)[*:1]
O=C(c1noc2c1CCCC2)N1CCC2(CC1)C[C@]1(CO2)Nc2ccccc2-n2cccc21 C1CCc2c(noc2C1)[*:1] O=C(N1CCC2(CC1)C[C@]1(CO2)Nc2ccccc2-n2cccc21)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)NCc2nnc3ccccn23)CC1=O CCC[*:1] C[C@H](N1C[C@H](CC1=O)C(=O)NCc1nnc2ccccn12)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)NCc2nnc3ccccn23)CC1=O CCC[C@H](C)[*:1] O=C(NCc1nnc2ccccn12)[C@H]1CC(=O)N(C1)[*:1]
C#CCNC(=O)c1ccc(Br)cc1C C#CC[*:1] Cc1cc(Br)ccc1C(=O)N[*:1]
CCCCc1ccc(CC(=O)NC2(C(N)=O)CCCCC2)cc1 CCCC[*:1] NC(=O)C1(CCCCC1)NC(=O)Cc1ccc(cc1)[*:1]
CCCCc1ccc(CC(=O)NC2(C(N)=O)CCCCC2)cc1 NC(=O)[*:1] CCCCc1ccc(cc1)CC(=O)NC1(CCCCC1)[*:1]
CCCCc1ccc(CC(=O)NC2(C(N)=O)CCCCC2)cc1 CCC[*:1] NC(=O)C1(CCCCC1)NC(=O)Cc1ccc(cc1)C[*:1]
COc1ccccc1CN1C(=O)c2cc(C3CC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 COc1ccccc1[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1C[*:1])C1CC1)C(=O)NC1CCCCCC1
COc1ccccc1CN1C(=O)c2cc(C3CC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 COc1ccccc1C[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1[*:1])C1CC1)C(=O)NC1CCCCCC1
COc1ccccc1CN1C(=O)c2cc(C3CC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] COc1ccccc1CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)N[*:1])C1CC1
COc1ccccc1CN1C(=O)c2cc(C3CC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 C1CC1[*:1] COc1ccccc1CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)NC1CCCCCC1)[*:1]
COc1ccccc1CN1C(=O)c2cc(C3CC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 O=C(NC1CCCCCC1)[*:1] COc1ccccc1CN1C(=O)c2cc(nn2C[C@@]1(C)[*:1])C1CC1
O=C(NCCc1ccccn1)NC[C@@H]1CC=CCC1 c1ccc(nc1)[*:1] O=C(NCC[*:1])NC[C@@H]1CC=CCC1
CC(C)[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1nc2ccccc2[nH]1 CC(C)[*:1] C[NH+](C)CCC1CCN(CC1)C(=O)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)[C@H](NC(=O)N1CCC(CC1)CC[NH+](C)C)[*:1]
CN1CCO[C@H](CN[C@@H](c2ccccc2)C2CC2)C1 C1CC1[*:1] CN1CCO[C@H](CN[C@@H](c2ccccc2)[*:1])C1
CN1CCO[C@H](CN[C@@H](c2ccccc2)C2CC2)C1 c1ccc(cc1)[*:1] CN1CCO[C@H](CN[C@@H](C2CC2)[*:1])C1
CC(C)[C@H](C)n1c(N)nc2c[nH+]ccc21 CC(C)[C@H](C)[*:1] Nc1nc2c[nH+]ccc2n1[*:1]
CC(C)[C@H](C)n1c(N)nc2c[nH+]ccc21 CC(C)[*:1] C[C@H](n1c(N)nc2c[nH+]ccc21)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(N)=O)cc1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)Nc1ccc(cc1)C(N)=O)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)o1 CC(C)(C)[*:1] Cc1ccc(o1)C(=O)N1CSC[C@H]1C(=O)N[*:1]
Cc1ccc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)o1 Cc1ccc(o1)[*:1] CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[*:1]
CC(C)C(=O)Nc1cc(C(=O)N2CCN(c3ccccc3F)CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1cc(nn1[*:1])C(=O)N1CCN(CC1)c1ccccc1F
CC(C)C(=O)Nc1cc(C(=O)N2CCN(c3ccccc3F)CC2)nn1-c1ccccc1 Fc1ccccc1[*:1] CC(C)C(=O)Nc1cc(nn1-c1ccccc1)C(=O)N1CCN(CC1)[*:1]
CC(C)C(=O)Nc1cc(C(=O)N2CCN(c3ccccc3F)CC2)nn1-c1ccccc1 CC(C)C(=O)N[*:1] O=C(c1cc(n(n1)-c1ccccc1)[*:1])N1CCN(CC1)c1ccccc1F
CC(C)C(=O)Nc1cc(C(=O)N2CCN(c3ccccc3F)CC2)nn1-c1ccccc1 CC(C)[*:1] O=C(c1cc(NC(=O)[*:1])n(n1)-c1ccccc1)N1CCN(CC1)c1ccccc1F
C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NC[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] C[C@H](c1ccc(Cl)cc1)N1CCN(CC1)C(=O)N[*:1]
C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] C[C@H](c1ccc(Cl)cc1)N1CCN(CC1)C(=O)NC[*:1]
C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NC[C@H]2CCCO2)CC1 Clc1ccc(cc1)[*:1] C[C@H](N1CCN(CC1)C(=O)NC[C@H]1CCCO1)[*:1]
Cc1cc(N2CCCN(C(=O)[C@H]3CCC(=O)N(C4CCCC4)C3)CC2)cc[nH+]1 C1CCC(C1)[*:1] Cc1cc(cc[nH+]1)N1CCCN(CC1)C(=O)[C@H]1CCC(=O)N(C1)[*:1]
Cc1ccc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)[C@@H](C(N)=O)[*:1]
Cc1ccc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)[*:1])N1CCN(CC1)[C@@H](C(N)=O)c1ccccc1
Cc1ccc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 NC(=O)[*:1] Cc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
O=C(Cc1csc(NC(=O)c2ccsc2)n1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(Cc1csc(n1)NC(=O)c1ccsc1)N[*:1]
O=C(Cc1csc(NC(=O)c2ccsc2)n1)NCc1ccccc1Cl O=C(N[*:1])c1ccsc1 O=C(Cc1csc(n1)[*:1])NCc1ccccc1Cl
O=C(Cc1csc(NC(=O)c2ccsc2)n1)NCc1ccccc1Cl c1cc(cs1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])NCc1ccccc1Cl
O=C(Cc1csc(NC(=O)c2ccsc2)n1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(Cc1csc(n1)NC(=O)c1ccsc1)NC[*:1]
[NH3+][C@H]1COC[C@H]1C(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] [NH3+][C@H]1COC[C@H]1C(=O)N[C@@H]1C=C[C@@H](C1)[*:1]
Cc1nc2nc(C)c3c(=O)n(-c4ccccc4Cl)ccc3n2n1 Clc1ccccc1[*:1] Cc1nc2nc(C)c3c(=O)n(ccc3n2n1)[*:1]
COC(=O)c1ccc(/C=C2/SC(=O)N(C[NH+](C)C)C2=O)cc1 COC(=O)[*:1] C[NH+](C)CN1C(=O)S/C(=C/c2ccc(cc2)[*:1])C1=O
O=c1c2ccc(C(F)(F)F)nc2ccn1CC1CC[NH+](Cc2cccnc2)CC1 c1cncc(c1)[*:1] O=c1c2ccc(nc2ccn1CC1CC[NH+](CC1)C[*:1])C(F)(F)F
O=c1c2ccc(C(F)(F)F)nc2ccn1CC1CC[NH+](Cc2cccnc2)CC1 FC(F)(F)[*:1] O=c1c2ccc(nc2ccn1CC1CC[NH+](CC1)Cc1cccnc1)[*:1]
O=c1c2ccc(C(F)(F)F)nc2ccn1CC1CC[NH+](Cc2cccnc2)CC1 c1cncc(c1)C[*:1] O=c1c2ccc(nc2ccn1CC1CC[NH+](CC1)[*:1])C(F)(F)F
CC(=O)N[C@@H](CCS[C@@H](C)[C@@H](C)O)C(=O)[O-] C[C@@H](O)[*:1] CC(=O)N[C@@H](CCS[C@@H](C)[*:1])C(=O)[O-]
CC(=O)N[C@@H](CCS[C@@H](C)[C@@H](C)O)C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H](CCS[C@@H](C)[C@@H](C)O)[*:1]
CC(=O)N[C@@H](CCS[C@@H](C)[C@@H](C)O)C(=O)[O-] C[C@@H]([C@@H](C)O)[*:1] CC(=O)N[C@@H](CCS[*:1])C(=O)[O-]
CC(=O)N[C@@H](CCS[C@@H](C)[C@@H](C)O)C(=O)[O-] CC(=O)N[*:1] C[C@H](SCC[C@@H](C(=O)[O-])[*:1])[C@@H](C)O
CCC1(CNC(=O)C2C[C@@H](C)O[C@H](C)C2)CCC1 CCC1(CCC1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NC[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1cccc(c1)C(F)(F)F
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
C[C@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)NC(N)=O NC(=O)NC(=O)[*:1] C[C@H](Sc1nnc(o1)-c1sc2ccccc2c1Cl)[*:1]
C[C@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)NC(N)=O C[C@H](C(=O)NC(N)=O)[*:1] Clc1c(sc2ccccc12)-c1nnc(o1)S[*:1]
CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c2)n1 CCOC(=O)[*:1] O=C(Nc1cccc(c1)-n1ccc(n1)[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c2)n1 CCOC(=O)c1ccn(n1)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
Nc1[nH]c(=O)[nH]c(=O)c1[C@H](c1cccc(F)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Nc1[nH]c(=O)[nH]c(=O)c1[C@H](c1cccc(F)c1)N1CCN(CC1)S(=O)(=O)C[*:1]
Nc1[nH]c(=O)[nH]c(=O)c1[C@H](c1cccc(F)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Nc1[nH]c(=O)[nH]c(=O)c1[C@H](c1cccc(F)c1)N1CCN(CC1)S(=O)(=O)[*:1]
Nc1[nH]c(=O)[nH]c(=O)c1[C@H](c1cccc(F)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 Fc1cccc(c1)[*:1] Nc1[nH]c(=O)[nH]c(=O)c1[C@H](N1CCN(CC1)S(=O)(=O)Cc1ccccc1)[*:1]
CSCC[C@@H](C)NC(=O)NCc1ccc(Br)cc1F CSCC[*:1] C[C@@H](NC(=O)NCc1ccc(Br)cc1F)[*:1]
CSCC[C@@H](C)NC(=O)NCc1ccc(Br)cc1F CSC[*:1] C[C@H](C[*:1])NC(=O)NCc1ccc(Br)cc1F
CSCC[C@@H](C)NC(=O)NCc1ccc(Br)cc1F CSCC[C@@H](C)[*:1] O=C(NCc1ccc(Br)cc1F)N[*:1]
COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] COC(=O)c1sc2ccccc2c1NC(=O)[*:1]
COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(C#N)cc1 COC(=O)[*:1] N#Cc1ccc(cc1)C(=O)Nc1c(sc2ccccc12)[*:1]
CCOc1cc2c(cc1CNC(=O)c1ccc(F)c(F)c1)O[C@H](C)C2 Fc1ccc(cc1F)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1CNC(=O)[*:1]
CCOc1cc2c(cc1CNC(=O)c1ccc(F)c(F)c1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)CNC(=O)c1ccc(F)c(F)c1)[*:1]
COc1cc(NC(=O)c2ccccc2)c(C)cc1N c1ccc(cc1)[*:1] COc1cc(NC(=O)[*:1])c(C)cc1N
CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)N2CCOCC2)=C1C O=C(N1CCOCC1)[*:1] CCN1C(=O)N[C@@H](C(=C1C)[*:1])c1cccc(c1)C(F)(F)F
CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)N2CCOCC2)=C1C FC(F)(F)[*:1] CCN1C(=O)N[C@@H](C(C(=O)N2CCOCC2)=C1C)c1cccc(c1)[*:1]
CCOc1ccc(C(=O)N2CC[NH+](Cc3noc4ccccc34)CC2)cc1 CCO[*:1] O=C(c1ccc(cc1)[*:1])N1CC[NH+](CC1)Cc1noc2ccccc12
CCOc1ccc(C(=O)N2CC[NH+](Cc3noc4ccccc34)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(N1CC[NH+](CC1)Cc1noc2ccccc12)[*:1]
CCOc1ccc(C(=O)N2CC[NH+](Cc3noc4ccccc34)CC2)cc1 c1ccc2c(noc2c1)[*:1] CCOc1ccc(cc1)C(=O)N1CC[NH+](CC1)C[*:1]
Cn1ccc(-c2n[nH]c(=O)n2-c2ccc(C(=O)[O-])cc2)n1 O=C([O-])[*:1] Cn1ccc(n1)-c1n[nH]c(=O)n1-c1ccc(cc1)[*:1]
Cn1ccc(-c2n[nH]c(=O)n2-c2ccc(C(=O)[O-])cc2)n1 Cn1ccc(n1)[*:1] O=C([O-])c1ccc(cc1)-n1c(n[nH]c1=O)[*:1]
O=C1CCC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)CN1CCCO Clc1ccc(cc1)[*:1] O=C1CCC2(CC[NH+](CC2)C[*:1])CN1CCCO
O=C1CCC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)CN1CCCO OCCC[*:1] O=C1CCC2(CC[NH+](CC2)Cc2ccc(Cl)cc2)CN1[*:1]
O=C1CCC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)CN1CCCO Clc1ccc(cc1)C[*:1] O=C1CCC2(CC[NH+](CC2)[*:1])CN1CCCO
O=C1CCC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)CN1CCCO OCC[*:1] O=C1CCC2(CC[NH+](CC2)Cc2ccc(Cl)cc2)CN1C[*:1]
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CCNC1=O O=[N+]([O-])[*:1] C[C@H](Oc1ccccc1[*:1])C(=O)N1CCNC1=O
CC(=O)C1=C(C)C(C(=O)NNC(=O)c2cccs2)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)NNC(=O)c1cccs1
CC(=O)C1=C(C)C(C(=O)NNC(=O)c2cccs2)=N[C@H]1C c1csc(c1)[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)NNC(=O)[*:1]
COC(=O)Nc1ccc(CNc2ncccc2Cl)cc1 COC(=O)N[*:1] Clc1cccnc1NCc1ccc(cc1)[*:1]
Cc1cccc(O[C@@H](C)C(=O)N2C[C@H](C)OCC2(C)C)c1 Cc1cccc(c1)[*:1] C[C@H]1CN(C(=O)[C@H](C)O[*:1])C(C)(C)CO1
O=c1c2ccccc2n(-c2ccccc2)c(=O)n1-c1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] O=c1c2ccccc2n(c(=O)n1-c1ccc(Cl)c(Cl)c1)[*:1]
O=c1c2ccccc2n(-c2ccccc2)c(=O)n1-c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=c1c2ccccc2n(-c2ccccc2)c(=O)n1[*:1]
O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 c1csc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)N1CCC[C@@H]1C[C@H](O)[*:1]
O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 O=[N+]([O-])[*:1] O[C@@H](C[C@H]1CCCN1c1ccc(cc1)[*:1])c1cccs1
O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 O[C@H](c1cccs1)[*:1] O=[N+]([O-])c1ccc(cc1)N1CCC[C@@H]1C[*:1]
Cc1ncc([C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)s1 C1CC1[*:1] Cc1ncc(s1)[C@@H](C)[NH2+][C@@H](c1ccc2OCCOc2c1)[*:1]
Cc1ncc([C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)s1 Cc1ncc(s1)[*:1] C[C@@H]([NH2+][C@@H](c1ccc2OCCOc2c1)C1CC1)[*:1]
C#CCn1/c(=N\C(=O)Cc2ccc(OC)cc2OC)sc2c(OC)ccc(OC)c21 C#CC[*:1] COc1ccc(CC(=O)/N=c2/sc3c(ccc(OC)c3n2[*:1])OC)c(c1)OC
C#CCn1/c(=N\C(=O)Cc2ccc(OC)cc2OC)sc2c(OC)ccc(OC)c21 COc1ccc(c(c1)OC)[*:1] C#CCn1/c(=N\C(=O)C[*:1])sc2c(ccc(OC)c21)OC
Cc1occc1C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1F c1coc(c1)[*:1] Cc1occc1C(=O)Nc1cc(ccc1F)NC(=O)C=C[*:1]
Cc1occc1C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1F Cc1occc1[*:1] O=C(/C=C/c1ccco1)Nc1ccc(F)c(c1)NC(=O)[*:1]
Cc1occc1C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1F C(=C[*:1])c1ccco1 Cc1occc1C(=O)Nc1cc(ccc1F)NC(=O)[*:1]
NC(=O)c1c(F)cc(Br)cc1NCc1cccc(F)c1 NC(=O)[*:1] Fc1cccc(c1)CNc1cc(Br)cc(F)c1[*:1]
CN(CCCS(C)(=O)=O)C(=O)Nc1cccc(Oc2ccccc2)c1 CS(=O)(=O)CCC[*:1] CN(C(=O)Nc1cccc(c1)Oc1ccccc1)[*:1]
CN(CCCS(C)(=O)=O)C(=O)Nc1cccc(Oc2ccccc2)c1 CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)Oc1ccccc1
CN(CCCS(C)(=O)=O)C(=O)Nc1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] CN(CCCS(C)(=O)=O)C(=O)Nc1cccc(c1)O[*:1]
CN(CCCS(C)(=O)=O)C(=O)Nc1cccc(Oc2ccccc2)c1 CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)Nc1cccc(c1)Oc1ccccc1
CN(CCCS(C)(=O)=O)C(=O)Nc1cccc(Oc2ccccc2)c1 CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)Nc1cccc(c1)Oc1ccccc1
CN(CCCS(C)(=O)=O)C(=O)Nc1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] CN(CCCS(C)(=O)=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ocnc1C[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] Cc1ocnc1C[NH+]1CCN(CC1)[C@@H](C)[*:1]
Cc1ocnc1C[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 Cc1ocnc1[*:1] C[C@@H](c1cccc(F)c1)N1CC[NH+](CC1)C[*:1]
CC[NH2+][C@H](Cc1ccc(O)cc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC[NH2+][C@H](Cc1ccc(O)cc1)[*:1]
CC[NH2+][C@H](Cc1ccc(O)cc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[NH2+][C@H](Cc1ccc(O)cc1)C[*:1]
CC1([C@@](C)(C[NH3+])N2CC[C@H](N3CCOCC3)C2)CC1 CC1(CC1)[*:1] C[C@@](C[NH3+])(N1CC[C@@H](C1)N1CCOCC1)[*:1]
CC1([C@@](C)(C[NH3+])N2CC[C@H](N3CCOCC3)C2)CC1 C1CN(CCO1)[*:1] CC1(CC1)[C@@](C)(C[NH3+])N1CC[C@H](C1)[*:1]
CCCCN1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] CCCCN1CNc2c(C1)c(=O)[nH]c(=O)n2[*:1]
CCCCN1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1 c1ccc(cc1)[*:1] CCCCN1CNc2c(C1)c(=O)[nH]c(=O)n2CC[*:1]
CCCCN1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CCCCN1CNc2c(C1)c(=O)[nH]c(=O)n2C[*:1]
CCCCN1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1 CCC[*:1] O=c1[nH]c(=O)n(CCc2ccccc2)c2NCN(Cc21)C[*:1]
CCCCN1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1 CCCC[*:1] O=c1[nH]c(=O)n(CCc2ccccc2)c2NCN(Cc21)[*:1]
COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(-c4cn5cccc(C)c5n4)cc3)sc2n1 Cc1cccn2cc(nc12)[*:1] COCc1nc(OC)c2c(C)c(sc2n1)C(=O)Nc1ccc(cc1)[*:1]
COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(-c4cn5cccc(C)c5n4)cc3)sc2n1 COC[*:1] COc1nc(nc2sc(C(=O)Nc3ccc(cc3)-c3cn4cccc(C)c4n3)c(C)c12)[*:1]
C#CCN1CCN(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 c1cc(ccn1)[*:1] C#CCN1CCN(CC1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
C#CCN1CCN(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 C#CC[*:1] C[C@H](NC(=O)N1CCN(CC1)[*:1])c1ccc(cc1)-c1ccncc1
CC(C)(C)c1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cc1 CC(C)(C)[*:1] O=C(COc1ccc2nc3CCCn3c(=O)c2c1)Nc1ccc(cc1)[*:1]
Cc1ccncc1NC(=O)NCC(=O)N(C)CCc1ccccn1 Cc1ccncc1[*:1] CN(CCc1ccccn1)C(=O)CNC(=O)N[*:1]
Cc1ccncc1NC(=O)NCC(=O)N(C)CCc1ccccn1 c1ccc(C[*:1])nc1 Cc1ccncc1NC(=O)NCC(=O)N(C)C[*:1]
Cc1ccncc1NC(=O)NCC(=O)N(C)CCc1ccccn1 c1ccc(nc1)[*:1] Cc1ccncc1NC(=O)NCC(=O)N(C)CC[*:1]
Cc1ccncc1NC(=O)NCC(=O)N(C)CCc1ccccn1 c1ccc(CC[*:1])nc1 Cc1ccncc1NC(=O)NCC(=O)N(C)[*:1]
CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CN(c1ccccc1[*:1])S(=O)(=O)c1ccc(cc1)C(=O)[O-]
CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(cc1)[*:1]
CC[C@H](C)Cn1c(CCCl)nc2c(C)nn(CC)c21 ClCC[*:1] CC[C@H](C)Cn1c(nc2c(C)nn(CC)c21)[*:1]
CC[C@H](C)Cn1c(CCCl)nc2c(C)nn(CC)c21 CC[C@H](C)[*:1] CCn1nc(C)c2nc(CCCl)n(C[*:1])c21
CC[C@H](C)Cn1c(CCCl)nc2c(C)nn(CC)c21 CC[C@H](C)C[*:1] CCn1nc(C)c2nc(CCCl)n(c21)[*:1]
Cc1nn(C)c2c1nc(SCC(=O)[O-])n2CC(=O)N(C)C CN(C)C(=O)[*:1] Cc1nn(C)c2c1nc(SCC(=O)[O-])n2C[*:1]
Cc1nn(C)c2c1nc(SCC(=O)[O-])n2CC(=O)N(C)C O=C([O-])[*:1] Cc1nn(C)c2c1nc(SC[*:1])n2CC(=O)N(C)C
Cc1nn(C)c2c1nc(SCC(=O)[O-])n2CC(=O)N(C)C O=C([O-])C[*:1] Cc1nn(C)c2c1nc(S[*:1])n2CC(=O)N(C)C
Cc1nn(C)c2c1nc(SCC(=O)[O-])n2CC(=O)N(C)C CN(C)C(=O)C[*:1] Cc1nn(C)c2c1nc(SCC(=O)[O-])n2[*:1]
Cc1nn(C)c2c1nc(SCC(=O)[O-])n2CC(=O)N(C)C O=C([O-])CS[*:1] Cc1nn(C)c2c1nc(n2CC(=O)N(C)C)[*:1]
CCC[C@H]1CC[C@H](C[NH3+])[C@H](n2cccn2)C1 c1cnn(c1)[*:1] CCC[C@H]1CC[C@H](C[NH3+])[C@H](C1)[*:1]
CCC[C@H]1CC[C@H](C[NH3+])[C@H](n2cccn2)C1 CCC[*:1] [NH3+]C[C@H]1CC[C@@H](C[C@H]1n1cccn1)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)c1sc(-c2cccc(F)c2)nc1C Fc1cccc(c1)[*:1] COc1ccc(cc1NC(=O)c1sc(nc1C)[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)c1sc(-c2cccc(F)c2)nc1C CC(=O)N[*:1] COc1ccc(cc1NC(=O)c1sc(nc1C)-c1cccc(F)c1)[*:1]
Cc1cccc(OC[C@H](C)NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)c1 Cc1cccc(c1)OC[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[C@@H](C)[*:1])-c1ccncc1
Cc1cccc(OC[C@H](C)NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)c1 Cc1cccc(c1)O[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[C@@H](C)C[*:1])-c1ccncc1
Cc1cccc(OC[C@H](C)NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)c1 c1cc(ccn1)[*:1] Cc1cccc(c1)OC[C@H](C)NC(=O)Cc1c(C)nc([nH]c1=O)[*:1]
Cc1cccc(OC[C@H](C)NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)c1 Cc1cccc(c1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[C@@H](C)CO[*:1])-c1ccncc1
COCc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 COC[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)c1ncccn1
COCc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 c1cnc(nc1)[*:1] COCc1cccc(c1)C(=O)N1CCN(CC1)[*:1]
Cc1nnc(S[C@H](C)C(=O)NC2CCCCC2)nc1[O-] C1CCC(CC1)[*:1] Cc1nnc(nc1[O-])S[C@H](C)C(=O)N[*:1]
Cc1ccn2nc(N[C@@H]3C[C@H]3c3ccccc3)nc2c1 c1ccc(cc1)[*:1] Cc1ccn2nc(nc2c1)N[C@@H]1C[C@@H]1[*:1]
C[S@](=O)c1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 O=[N+]([O-])[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)c1cc(F)cc(c1N)[*:1]
C=C(C)C[NH+]1CCC(NC(=O)NCC2(CC)CCC2)CC1 CCC1(CCC1)[*:1] C=C(C)C[NH+]1CCC(CC1)NC(=O)NC[*:1]
C=C(C)C[NH+]1CCC(NC(=O)NCC2(CC)CCC2)CC1 C=C(C)[*:1] CCC1(CCC1)CNC(=O)NC1CC[NH+](CC1)C[*:1]
C=C(C)C[NH+]1CCC(NC(=O)NCC2(CC)CCC2)CC1 CCC1(CCC1)C[*:1] C=C(C)C[NH+]1CCC(CC1)NC(=O)N[*:1]
C=C(C)C[NH+]1CCC(NC(=O)NCC2(CC)CCC2)CC1 C=C(C)C[*:1] CCC1(CCC1)CNC(=O)NC1CC[NH+](CC1)[*:1]
Cc1cccc(C(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)c1 c1cncc(c1)C[*:1] Cc1cccc(c1)C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)[*:1]
Cc1cccc(C(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)c1 c1cncc(c1)[*:1] Cc1cccc(c1)C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)C[*:1]
Cc1cccc(C(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)c1 Cc1cccc(c1)[*:1] Cc1cccc2cc(CN(Cc3cccnc3)C(=O)[*:1])c(=O)[nH]c12
Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 O=C1OCCN1[*:1] Cc1cc(c(C)o1)[C@@H](C)[NH2+][C@@H](C)c1cccc(c1)[*:1]
Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1cccc(c1)N1CCOC1=O
COc1cc(OC)cc(C(=O)Nc2ncn(Cc3ccccc3C)n2)c1 Cc1ccccc1C[*:1] COc1cc(cc(c1)C(=O)Nc1ncn(n1)[*:1])OC
COc1cc(OC)cc(C(=O)Nc2ncn(Cc3ccccc3C)n2)c1 Cc1ccccc1[*:1] COc1cc(cc(c1)C(=O)Nc1ncn(C[*:1])n1)OC
CC(C)(C)[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)C(F)(F)F FC(F)(F)[*:1] CC(C)(C)[C@H](OC(=O)[C@H]1CCCN(C1)C(=O)c1ccncc1)[*:1]
CC(C)(C)[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)C(F)(F)F CC(C)(C)[*:1] O=C(O[C@H](C(F)(F)F)[*:1])[C@H]1CCCN(C1)C(=O)c1ccncc1
CC(C)(C)[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)C(F)(F)F c1cc(ccn1)[*:1] CC(C)(C)[C@H](OC(=O)[C@H]1CCCN(C1)C(=O)[*:1])C(F)(F)F
CNS(=O)(=O)c1ccc(C(=O)N(CC2CC2)C2CCCCC2)o1 C1CCC(CC1)[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)N(CC1CC1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N(CC2CC2)C2CCCCC2)o1 C1CC1[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)N(C[*:1])C1CCCCC1
CNS(=O)(=O)c1ccc(C(=O)N(CC2CC2)C2CCCCC2)o1 CNS(=O)(=O)[*:1] O=C(c1ccc(o1)[*:1])N(CC1CC1)C1CCCCC1
CNS(=O)(=O)c1ccc(C(=O)N(CC2CC2)C2CCCCC2)o1 C1CC1C[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)N(C1CCCCC1)[*:1]
O=[N+]([O-])c1ccc(Oc2nccc3ccccc23)cc1 O=[N+]([O-])[*:1] c1ccc2c(nccc2c1)Oc1ccc(cc1)[*:1]
C[C@@H]1COC[C@@H](C)N1CC(=O)N(C)CC(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H]1COC[C@@H](C)N1CC(=O)N(C)CC(=O)N[*:1]
C[C@@H](CC(=O)NC[C@@H]1CCCO1)NC(=O)c1ccccc1 C1CO[C@@H](C1)[*:1] C[C@@H](CC(=O)NC[*:1])NC(=O)c1ccccc1
C[C@@H](CC(=O)NC[C@@H]1CCCO1)NC(=O)c1ccccc1 C1CO[C@@H](C1)C[*:1] C[C@@H](CC(=O)N[*:1])NC(=O)c1ccccc1
C[C@@H](CC(=O)NC[C@@H]1CCCO1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)NC[C@@H]1CCCO1)NC(=O)[*:1]
O=C(CSc1cccc(Cl)c1)[C@H]1CCO[C@@]2(CCSC2)C1 Clc1cccc(c1)[*:1] O=C(CS[*:1])[C@H]1CCO[C@@]2(CCSC2)C1
C[C@@H]1CCC[C@H]1NC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Fc1ccc(cc1)C[*:1] C[C@@H]1CCC[C@H]1NC(=O)Nc1cccn(c1=O)[*:1]
C[C@@H]1CCC[C@H]1NC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] C[C@@H]1CCC[C@H]1NC(=O)Nc1cccn(C[*:1])c1=O
C=CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 C=CC[*:1] N#C/C(=C\c1ccc(cc1)O[*:1])C(=O)N1CCN(CC1)c1ccccc1
C=CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 C=CCO[*:1] N#C/C(=C\c1ccc(cc1)[*:1])C(=O)N1CCN(CC1)c1ccccc1
C=CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] C=CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(CC2)[*:1])cc1
CCCCc1ccc([C@@H](NC(=O)[C@@H]2CCC(=O)O2)c2cccs2)cc1 c1csc(c1)[*:1] CCCCc1ccc(cc1)[C@@H](NC(=O)[C@@H]1CCC(=O)O1)[*:1]
CCCCc1ccc([C@@H](NC(=O)[C@@H]2CCC(=O)O2)c2cccs2)cc1 CCCC[*:1] O=C1CC[C@H](O1)C(=O)N[C@H](c1ccc(cc1)[*:1])c1cccs1
CCCCc1ccc([C@@H](NC(=O)[C@@H]2CCC(=O)O2)c2cccs2)cc1 CCC[*:1] O=C1CC[C@H](O1)C(=O)N[C@H](c1ccc(cc1)C[*:1])c1cccs1
Cn1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] Cn1ccc(c1)C(=O)N[C@@H]1CCCN(C1=O)[*:1]
Cn1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 Cn1ccc(c1)[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)NC(=O)[*:1]
Cn1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] Cn1ccc(c1)C(=O)N[C@@H]1CCCN(C[*:1])C1=O
O=C(Nc1cccc([C@@H]2C=c3ccccc3=[NH+]2)c1)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(Nc1cccc(c1)[C@@H]1C=c2ccccc2=[NH+]1)N[*:1]
CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)c1 CCNS(=O)(=O)[*:1] Cc1ccc(cc1C)NC(=O)c1cccc(c1)[*:1]
C[C@@]1(C(=O)N2CCOCC2)CCCN1Cc1ccnc(N2CCCC2)n1 O=C(N1CCOCC1)[*:1] C[C@]1(CCCN1Cc1ccnc(n1)N1CCCC1)[*:1]
C[C@@]1(C(=O)N2CCOCC2)CCCN1Cc1ccnc(N2CCCC2)n1 C1CCN(C1)[*:1] C[C@]1(CCCN1Cc1ccnc(n1)[*:1])C(=O)N1CCOCC1
O=C(CCc1ccsc1)N1CCC[C@@H]2CCCC[C@@H]21 c1cc(cs1)[*:1] O=C(CC[*:1])N1CCC[C@@H]2CCCC[C@@H]21
O=C(CCc1ccsc1)N1CCC[C@@H]2CCCC[C@@H]21 c1cc(cs1)C[*:1] O=C(C[*:1])N1CCC[C@@H]2CCCC[C@@H]21
CCOC(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCOC(=O)N1CCN(CC1)Cc1ccccc1[*:1]
COC[C@@H](C)NC(=O)CC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] COC[C@@H](C)NC(=O)CC[*:1]
COC[C@@H](C)NC(=O)CC[C@H]1CCCO1 COC[C@@H](C)[*:1] O=C(CC[C@H]1CCCO1)N[*:1]
COC[C@@H](C)NC(=O)CC[C@H]1CCCO1 COC[*:1] C[C@@H](NC(=O)CC[C@H]1CCCO1)[*:1]
COc1ccc(-c2nc(CC(=O)Nc3ccc4cc[nH]c4c3)cs2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccc2cc[nH]c2c1
Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)CCCc2ccccc2)c1=O c1ccc(cc1)C[*:1] Cn1cc(cc(NC(=O)CC[*:1])c1=O)C(=O)N1CCOCC1
Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)CCCc2ccccc2)c1=O O=C(N1CCOCC1)[*:1] Cn1cc(cc(NC(=O)CCCc2ccccc2)c1=O)[*:1]
Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)CCCc2ccccc2)c1=O c1ccc(cc1)CCC[*:1] Cn1cc(cc(NC(=O)[*:1])c1=O)C(=O)N1CCOCC1
Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)CCCc2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1cc(cc(NC(=O)CCC[*:1])c1=O)C(=O)N1CCOCC1
Cn1cc(C(=O)N2CCOCC2)cc(NC(=O)CCCc2ccccc2)c1=O c1ccc(cc1)CC[*:1] Cn1cc(cc(NC(=O)C[*:1])c1=O)C(=O)N1CCOCC1
O=c1[nH]nc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 O=c1[nH]nc([nH]1)[*:1] c1ccc(cc1)[C@H]1CCCCCN1C[*:1]
O=c1[nH]nc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 c1ccc(cc1)[*:1] O=c1[nH]nc(CN2CCCCC[C@H]2[*:1])[nH]1
CCOCc1ccc(C(=O)N2CCn3c(nnc3C3CC[NH+](C)CC3)C2)cc1 CCOC[*:1] C[NH+]1CCC(CC1)c1nnc2CN(CCn21)C(=O)c1ccc(cc1)[*:1]
CCOCc1ccc(C(=O)N2CCn3c(nnc3C3CC[NH+](C)CC3)C2)cc1 CCO[*:1] C[NH+]1CCC(CC1)c1nnc2CN(CCn21)C(=O)c1ccc(cc1)C[*:1]
CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1OC c1csc(c1)[*:1] CC[C@@H]1CCCCN1C(=O)CSc1nnc(n1-c1ccccc1OC)[*:1]
CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1OC COc1ccccc1[*:1] CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)n1[*:1]
COC(=O)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)C[C@H]([NH3+])c1cccc(c1)[*:1]
COC(=O)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 COC(=O)[*:1] [NH3+][C@@H](C[*:1])c1cccc(c1)C(F)(F)F
COC(=O)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 COC(=O)C[*:1] [NH3+][C@H](c1cccc(c1)C(F)(F)F)[*:1]
O=c1[nH]c2ccccc2cc1CN[C@@H](c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] O=c1[nH]c2ccccc2cc1CN[C@@H](c1ccncc1)[*:1]
O=c1[nH]c2ccccc2cc1CN[C@@H](c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] O=c1[nH]c2ccccc2cc1CN[C@@H](c1ccccc1)[*:1]
Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCN(C)C2=O)cc1F CN1CC[C@H](C1=O)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N[*:1]
C[C@@H]1CN(C[C@H](O)c2cccs2)C(C)(C)CO1 c1csc(c1)[*:1] C[C@@H]1CN(C[C@H](O)[*:1])C(C)(C)CO1
CCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 CCNC(=O)[*:1] Fc1ccc(cc1)-n1nc(c2CCCCc21)[*:1]
CCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 Fc1ccc(cc1)[*:1] CCNC(=O)c1nn(c2CCCCc12)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1 c1ccc(cc1)C[*:1] CN(S(=O)(=O)c1cc(cs1)-c1ccc(=O)[nH]n1)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1 O=c1ccc(n[nH]1)[*:1] CN(Cc1ccccc1)S(=O)(=O)c1cc(cs1)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1 c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)c1cc(cs1)-c1ccc(=O)[nH]n1
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(F)cc2)n2ncnc2N1 Fc1ccc(cc1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)Nc1cccc(C)c1)[*:1]
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(F)cc2)n2ncnc2N1 Cc1cccc(c1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)N[*:1])c1ccc(F)cc1
NC(=O)c1ccc(CS[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 NC(=O)[*:1] O=[N+]([O-])c1cc(ccc1CS[C@H]1CCCc2ccccc21)[*:1]
NC(=O)c1ccc(CS[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(CS[C@H]2CCCc3ccccc32)c(c1)[*:1]
O=C(CSCc1cccnc1)N[C@@H](CO)c1ccccc1F Fc1ccccc1[*:1] O=C(CSCc1cccnc1)N[C@@H](CO)[*:1]
O=C(CSCc1cccnc1)N[C@@H](CO)c1ccccc1F c1cncc(c1)C[*:1] O=C(CS[*:1])N[C@@H](CO)c1ccccc1F
O=C(CSCc1cccnc1)N[C@@H](CO)c1ccccc1F c1cncc(c1)[*:1] O=C(CSC[*:1])N[C@@H](CO)c1ccccc1F
O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1)C1CC1 O=C(N[*:1])C1CC1 O=C(c1cccc(c1)[*:1])N1CCC[C@@H]1c1ccccc1
O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1)C1CC1 C1CC1[*:1] O=C(c1cccc(c1)NC(=O)[*:1])N1CCC[C@@H]1c1ccccc1
O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1)C1CC1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCC[C@H]1[*:1])C1CC1
CCC(=O)N1C[C@H](C(=O)NCCC(C)C)[C@H](c2ccccc2C)C1 CC(C)CC[*:1] CCC(=O)N1C[C@H](C(=O)N[*:1])[C@@H](C1)c1ccccc1C
CCC(=O)N1C[C@H](C(=O)NCCC(C)C)[C@H](c2ccccc2C)C1 CC(C)[*:1] CCC(=O)N1C[C@H](C(=O)NCC[*:1])[C@@H](C1)c1ccccc1C
CCC(=O)N1C[C@H](C(=O)NCCC(C)C)[C@H](c2ccccc2C)C1 Cc1ccccc1[*:1] CCC(=O)N1C[C@H](C(=O)NCCC(C)C)[C@H](C1)[*:1]
CCC(=O)N1C[C@H](C(=O)NCCC(C)C)[C@H](c2ccccc2C)C1 CC(C)CCNC(=O)[*:1] CCC(=O)N1C[C@@H](c2ccccc2C)[C@@H](C1)[*:1]
CCC(=O)N1C[C@H](C(=O)NCCC(C)C)[C@H](c2ccccc2C)C1 CC(C)C[*:1] CCC(=O)N1C[C@H](C(=O)NC[*:1])[C@@H](C1)c1ccccc1C
CCCN(CC1CC[NH2+]CC1)c1cccc(OCC)n1 CCO[*:1] CCCN(CC1CC[NH2+]CC1)c1cccc(n1)[*:1]
CCCN(CC1CC[NH2+]CC1)c1cccc(OCC)n1 CCC[*:1] CCOc1cccc(n1)N(CC1CC[NH2+]CC1)[*:1]
C/C=C/C=C/C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 CC=C[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C=C[*:1]
C/C=C/C=C/C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 C/C=C/C=C[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[*:1]
CCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)CC1 O=S(=O)(c1ccc(Cl)cc1)[*:1] CCC(=O)N1CCN(CC1)C(=O)[C@H](NC(=O)c1cccs1)[*:1]
CCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)CC1 O=C(N[*:1])c1cccs1 CCC(=O)N1CCN(CC1)C(=O)[C@H](S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCC(=O)N1CCN(CC1)C(=O)[C@H](NC(=O)c1cccs1)S(=O)(=O)[*:1]
CCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)CC1 c1csc(c1)[*:1] CCC(=O)N1CCN(CC1)C(=O)[C@H](NC(=O)[*:1])S(=O)(=O)c1ccc(Cl)cc1
CC(C)c1nc(CC(=O)Nc2cncc3ccccc23)cs1 CC(C)[*:1] O=C(Cc1csc(n1)[*:1])Nc1cncc2ccccc12
C[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)[C@@H](C)CO c1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])[C@@H](C)CO
Cc1cc(C)cc(C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)c1 FC(F)O[*:1] Cc1cc(C)cc(c1)C(=O)NNC(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C)cc(C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NNC(=O)[*:1])Nc1ccc(cc1)OC(F)F
Cc1cc(C)cc(C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)c1 FC(F)[*:1] Cc1cc(C)cc(c1)C(=O)NNC(=O)Nc1ccc(cc1)O[*:1]
Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]1CCO[C@@H]1C c1ccc(cc1)[*:1] Cc1nn(cc1CCCNC(=O)[C@@H]1CCO[C@@H]1C)[*:1]
C[C@H](Cc1ccccc1F)NC(=O)Cc1cn2ccsc2n1 Fc1ccccc1[*:1] C[C@H](C[*:1])NC(=O)Cc1cn2ccsc2n1
O=C(N[C@H](Cc1ccccc1)C(=O)[O-])c1nnn[n-]1 c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C(=O)[O-])c1nnn[n-]1
O=C(N[C@H](Cc1ccccc1)C(=O)[O-])c1nnn[n-]1 O=C([O-])[*:1] O=C(N[C@H](Cc1ccccc1)[*:1])c1nnn[n-]1
CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cc3F)C2)c(C)n1 Fc1cc(Br)ccc1[*:1] CCn1cc(c(C)n1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cc3F)C2)c(C)n1 CCn1cc(c(C)n1)[*:1] O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CN(c1ccc(NC(=O)c2cn(CC(N)=O)nn2)cc1)C1CC[NH+](C)CC1 NC(=O)C[*:1] CN(c1ccc(cc1)NC(=O)c1cn(nn1)[*:1])C1CC[NH+](C)CC1
CN(c1ccc(NC(=O)c2cn(CC(N)=O)nn2)cc1)C1CC[NH+](C)CC1 NC(=O)Cn1cc(nn1)[*:1] CN(c1ccc(cc1)NC(=O)[*:1])C1CC[NH+](C)CC1
CN(c1ccc(NC(=O)c2cn(CC(N)=O)nn2)cc1)C1CC[NH+](C)CC1 NC(=O)[*:1] CN(c1ccc(cc1)NC(=O)c1cn(C[*:1])nn1)C1CC[NH+](C)CC1
Cc1cn2c(=O)c(C(=O)Nc3ccccc3C)cnc2s1 Cc1ccccc1[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[*:1]
CC[C@H](C)[C@@H](NC(=O)c1ccc(Br)o1)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@@H](NC(=O)c1ccc(Br)o1)[*:1]
CC[C@H](C)[C@@H](NC(=O)c1ccc(Br)o1)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@H](NC(=O)c1ccc(Br)o1)[*:1]
Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2cn(-c3ccccc3)nn2)cc1 Fc1ccc(cc1)[*:1] c1ccc(cc1)-n1cc(C[NH2+]Cc2c[nH]nc2[*:1])nn1
Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2cn(-c3ccccc3)nn2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)-c1n[nH]cc1C[NH2+]Cc1cn(nn1)[*:1]
Nn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1C(F)(F)F FC(F)(F)[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1cc(Cl)cc(Cl)c1
O=C(NCCC(F)(F)F)NNC(=O)c1ccccc1O FC(F)(F)C[*:1] O=C(NC[*:1])NNC(=O)c1ccccc1O
O=C(NCCC(F)(F)F)NNC(=O)c1ccccc1O FC(F)(F)[*:1] O=C(NCC[*:1])NNC(=O)c1ccccc1O
O=C(NCCC(F)(F)F)NNC(=O)c1ccccc1O FC(F)(F)CC[*:1] O=C(NNC(=O)c1ccccc1O)N[*:1]
Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 C1CC1[*:1] Cc1ncc(n1CC(=O)N(Cc1ccccc1)[C@@H](C)[*:1])[N+](=O)[O-]
Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] Cc1ncc(n1CC(=O)N(Cc1ccccc1)[*:1])[N+](=O)[O-]
Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 c1ccc(cc1)[*:1] Cc1ncc(n1CC(=O)N(C[*:1])[C@@H](C)C1CC1)[N+](=O)[O-]
Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 c1ccc(cc1)C[*:1] Cc1ncc(n1CC(=O)N([C@@H](C)C1CC1)[*:1])[N+](=O)[O-]
Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 O=[N+]([O-])[*:1] Cc1ncc(n1CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)[*:1]
CC[C@@H](C)n1nccc1NC(=O)[C@H](C)Nc1ccc2oc(=O)[nH]c2c1 CC[C@@H](C)[*:1] C[C@H](Nc1ccc2oc(=O)[nH]c2c1)C(=O)Nc1ccnn1[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3n[nH]c(C)n3)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(n[nH]1)-c1ccc(cc1)C(=O)N(C)CC(=O)N[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3n[nH]c(C)n3)cc2)cc1 Cc1nc(n[nH]1)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)c1ccc(cc1)[*:1]
CCC[C@@H](NC(=O)c1ccc(Cl)c(C)c1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)c1ccc(Cl)c(C)c1)[*:1]
CCC[C@@H](NC(=O)c1ccc(Cl)c(C)c1)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)c1ccc(Cl)c(C)c1)[*:1]
COc1cc(NC(=O)CN2C(=O)[C@]3(SCC(=O)N3c3ccccc3)c3ccccc32)cc(OC)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)CN1C(=O)[C@]2(SCC(=O)N2[*:1])c2ccccc21
COc1cc(NC(=O)CN2C(=O)[C@]3(SCC(=O)N3c3ccccc3)c3ccccc32)cc(OC)c1 COc1cc(cc(c1)[*:1])OC O=C(CN1C(=O)[C@]2(SCC(=O)N2c2ccccc2)c2ccccc21)N[*:1]
CCn1cc[nH+]c1CN1CCN(Cc2noc(C3CC3)n2)CC1 C1CC1[*:1] CCn1cc[nH+]c1CN1CCN(CC1)Cc1noc(n1)[*:1]
CCn1cc(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)cn1 CCn1cc(cn1)[*:1] O=C(c1ccc(F)cc1F)N1CCN(CC1)C(=O)[*:1]
CCn1cc(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)cn1 Fc1ccc(c(F)c1)[*:1] CCn1cc(cn1)C(=O)N1CCN(CC1)C(=O)[*:1]
COC(=O)COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 COC(=O)CO[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
COC(=O)COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COC(=O)COc1ccc(cc1)NS(=O)(=O)[*:1]
COC(=O)COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 COC(=O)C[*:1] O=S(=O)(Nc1ccc(cc1)O[*:1])c1ccc(Cl)cc1
COC(=O)COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 COC(=O)[*:1] O=S(=O)(Nc1ccc(cc1)OC[*:1])c1ccc(Cl)cc1
CC[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Cl O=[N+]([O-])[*:1] CC[C@H](Oc1ccccc1[*:1])C(=O)Cl
CC[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Cl O=C(Cl)[*:1] CC[C@H](Oc1ccccc1[N+](=O)[O-])[*:1]
O[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)C1CCCC1 c1cc(ccn1)[*:1] O[C@H](CN[C@H](C[*:1])C(F)(F)F)C1CCCC1
O[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)C1CCCC1 O[C@H](C1CCCC1)[*:1] FC(F)(F)[C@@H](Cc1ccncc1)NC[*:1]
O[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] O[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)[*:1]
O[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)C1CCCC1 c1cc(ccn1)C[*:1] O[C@H](CN[C@H](C(F)(F)F)[*:1])C1CCCC1
O[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)C1CCCC1 FC(F)(F)[*:1] O[C@H](CN[C@H](Cc1ccncc1)[*:1])C1CCCC1
CN(CCOc1ccccc1)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)Nc1ccc(c(F)c1)[S@@](C)=O
CN(CCOc1ccccc1)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 c1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)Nc1ccc(c(F)c1)[S@@](C)=O
CN(CCOc1ccccc1)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 c1ccc(cc1)OC[*:1] CN(C[*:1])C(=O)Nc1ccc(c(F)c1)[S@@](C)=O
CC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C CC(=O)[*:1] C[C@]12CC[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)[*:1]
CCn1c(SCC(=O)Oc2ccc(Cl)cc2)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Oc1ccc(Cl)cc1
CCn1c(SCC(=O)Oc2ccc(Cl)cc2)nnc1-c1ccco1 Clc1ccc(cc1)[*:1] CCn1c(nnc1-c1ccco1)SCC(=O)O[*:1]
O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)N[*:1]
O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)NC1CCCCC1 Clc1cccc(c1)[*:1] O=C(CSc1nc2c(cnn2[*:1])c(=O)[nH]1)NC1CCCCC1
O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=c1[nH]c(nc2c1cnn2-c1cccc(Cl)c1)SC[*:1]
O=C(NCN1CCN(c2ccccc2)CC1)c1cc2ccccc2o1 c1ccc(cc1)[*:1] O=C(NCN1CCN(CC1)[*:1])c1cc2ccccc2o1
C=CC(=O)Nc1cc(NC(=O)c2cn(C)nc2CC)ccc1F C=CC(=O)N[*:1] CCc1nn(C)cc1C(=O)Nc1ccc(F)c(c1)[*:1]
CN(C[C@H](c1cccs1)N1CCOCC1)c1ncccn1 c1csc(c1)[*:1] CN(C[C@H](N1CCOCC1)[*:1])c1ncccn1
CN(C[C@H](c1cccs1)N1CCOCC1)c1ncccn1 c1cnc(nc1)[*:1] CN(C[C@H](c1cccs1)N1CCOCC1)[*:1]
CN(C[C@H](c1cccs1)N1CCOCC1)c1ncccn1 C1CN(CCO1)[*:1] CN(C[C@H](c1cccs1)[*:1])c1ncccn1
O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)CSCC(F)(F)F C1CCC(CC1)[*:1] O=C(NC[*:1])[C@H]1CCCN1C(=O)CSCC(F)(F)F
O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)CSCC(F)(F)F C1CCC(CC1)C[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)CSCC(F)(F)F
O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)CSCC(F)(F)F FC(F)(F)C[*:1] O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)CS[*:1]
O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)CSCC(F)(F)F FC(F)(F)CS[*:1] O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)C[*:1]
O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)CSCC(F)(F)F FC(F)(F)CSC[*:1] O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)[*:1]
O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)CSCC(F)(F)F FC(F)(F)[*:1] O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)CSC[*:1]
COc1ccc(C(=O)N2CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)C[C@H](O)CO[*:1]
COc1ccc(C(=O)N2CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(N1CCN(CC1)C[C@H](O)COc1ccc(Br)cc1)[*:1]
COc1ccc(C(=O)N2CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 Brc1ccc(cc1)OC[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)C[C@H](O)[*:1]
COc1ccc(C(=O)N2CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 Brc1ccc(cc1)O[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)C[C@H](O)C[*:1]
CCn1cnc(S(=O)(=O)N2CCN(CCCC[NH3+])CC2)c1 CCn1cnc(c1)[*:1] [NH3+]CCCCN1CCN(CC1)S(=O)(=O)[*:1]
CCn1cnc(S(=O)(=O)N2CCN(CCCC[NH3+])CC2)c1 [NH3+]CCCC[*:1] CCn1cnc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
CCn1cnc(S(=O)(=O)N2CCN(CCCC[NH3+])CC2)c1 [NH3+]CCC[*:1] CCn1cnc(c1)S(=O)(=O)N1CCN(CC1)C[*:1]
CCn1cnc(S(=O)(=O)N2CCN(CCCC[NH3+])CC2)c1 [NH3+]CC[*:1] CCn1cnc(c1)S(=O)(=O)N1CCN(CC1)CC[*:1]
c1ccc2[nH]c(C3CCN(c4nc(-c5ccncc5)nc5c4CCC5)CC3)nc2c1 c1cc(ccn1)[*:1] c1ccc2[nH]c(nc2c1)C1CCN(CC1)c1nc(nc2CCCc21)[*:1]
c1ccc2[nH]c(C3CCN(c4nc(-c5ccncc5)nc5c4CCC5)CC3)nc2c1 c1ccc2[nH]c(nc2c1)[*:1] c1cc(ccn1)-c1nc2CCCc2c(n1)N1CCC(CC1)[*:1]
COc1cc(CN2CCO[C@H](C)[C@@H]2C)ccc1OC(=O)C1CC1 O=C(O[*:1])C1CC1 COc1cc(ccc1[*:1])CN1CCO[C@H](C)[C@@H]1C
COc1cc(CN2CCO[C@H](C)[C@@H]2C)ccc1OC(=O)C1CC1 C1CC1[*:1] COc1cc(ccc1OC(=O)[*:1])CN1CCO[C@H](C)[C@@H]1C
C[C@@H](CCO)SC[C@@]([NH3+])(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] C[C@@H](CCO)SC[C@@]([NH3+])(c1ccccc1)[*:1]
C[C@@H](CCO)SC[C@@]([NH3+])(C(=O)[O-])c1ccccc1 OCC[*:1] C[C@@H](SC[C@@]([NH3+])(C(=O)[O-])c1ccccc1)[*:1]
C[C@@H](CCO)SC[C@@]([NH3+])(C(=O)[O-])c1ccccc1 C[C@@H](CCO)[*:1] [NH3+][C@](CS[*:1])(C(=O)[O-])c1ccccc1
C[C@@H](CCO)SC[C@@]([NH3+])(C(=O)[O-])c1ccccc1 C[C@@H](CCO)S[*:1] [NH3+][C@](C[*:1])(C(=O)[O-])c1ccccc1
C[C@@H](CCO)SC[C@@]([NH3+])(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CCO)SC[C@@]([NH3+])(C(=O)[O-])[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)/C=C/c1ccc2ccccc2n1 COc1ccccc1[*:1] O=C(/C=C/c1ccc2ccccc2n1)N1CCC[C@H]1[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)/C=C(/C)c3ccccc3)C2)c1 c1ccc(cc1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)C=C(C)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)/C=C(/C)c3ccccc3)C2)c1 CC(=C[*:1])c1ccccc1 CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)/C=C(/C)c3ccccc3)C2)c1 CCOC(=O)[*:1] C/C(=C/C(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1])c1ccccc1
Cc1cccc(-c2c(CCCC[NH3+])[nH]c3ccccc23)c1 Cc1cccc(c1)[*:1] [NH3+]CCCCc1[nH]c2ccccc2c1[*:1]
CO[C@H]1C[C@@H]([O-])C12CCN(C(=O)C(=O)CCc1ccccc1)CC2 c1ccc(cc1)[*:1] CO[C@H]1C[C@@H]([O-])C12CCN(CC2)C(=O)C(=O)CC[*:1]
CO[C@H]1C[C@@H]([O-])C12CCN(C(=O)C(=O)CCc1ccccc1)CC2 c1ccc(cc1)C[*:1] CO[C@H]1C[C@@H]([O-])C12CCN(CC2)C(=O)C(=O)C[*:1]
CO[C@H]1C[C@@H]([O-])C12CCN(C(=O)C(=O)CCc1ccccc1)CC2 c1ccc(cc1)CC[*:1] CO[C@H]1C[C@@H]([O-])C12CCN(CC2)C(=O)C(=O)[*:1]
COCCn1c(-c2ccc(C(C)C)cc2)c[nH+]c1N CC(C)[*:1] COCCn1c(c[nH+]c1N)-c1ccc(cc1)[*:1]
COCCn1c(-c2ccc(C(C)C)cc2)c[nH+]c1N COC[*:1] CC(C)c1ccc(cc1)-c1c[nH+]c(N)n1C[*:1]
COCCn1c(-c2ccc(C(C)C)cc2)c[nH+]c1N COCC[*:1] CC(C)c1ccc(cc1)-c1c[nH+]c(N)n1[*:1]
CC[C@H]1CC[C@](CC(C)(C)O)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@H]1CC[C@@](C1)(CC(C)(C)O)[*:1]
CC[C@H]1CC[C@](CC(C)(C)O)(C(=O)[O-])C1 CC(C)(O)C[*:1] CC[C@H]1CC[C@@](C1)(C(=O)[O-])[*:1]
CC[C@H]1CC[C@](CC(C)(C)O)(C(=O)[O-])C1 CC(C)(O)[*:1] CC[C@H]1CC[C@](C1)(C[*:1])C(=O)[O-]
Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@@H](C)[C@H](O)C1 CC(C)OC[*:1] Cc1c(cccc1[*:1])NC(=O)N1CC[C@@H](C)[C@H](O)C1
Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@@H](C)[C@H](O)C1 CC(C)[*:1] Cc1c(cccc1NC(=O)N1CC[C@@H](C)[C@H](O)C1)CO[*:1]
Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@@H](C)[C@H](O)C1 CC(C)O[*:1] Cc1c(cccc1NC(=O)N1CC[C@@H](C)[C@H](O)C1)C[*:1]
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[*:1]
Cc1ccc(N2CCN(CC(=O)N3CCN(CCc4ccccc4)CC3)C2=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)N1CCN(CC(=O)N2CCN(CC2)C[*:1])C1=O
Cc1ccc(N2CCN(CC(=O)N3CCN(CCc4ccccc4)CC3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])N1CCN(CCc2ccccc2)CC1
Cc1ccc(N2CCN(CC(=O)N3CCN(CCc4ccccc4)CC3)C2=O)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)N1CCN(CC(=O)N2CCN(CC2)[*:1])C1=O
Cc1ccc(N2CCN(CC(=O)N3CCN(CCc4ccccc4)CC3)C2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1CCN(CC(=O)N2CCN(CC2)CC[*:1])C1=O
C[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)s1)c1ccc2c(c1)OCCO2 Clc1ccc(s1)[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])c1ccc2OCCOc2c1
C[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)s1)c1ccc2c(c1)OCCO2 C[C@@H](c1ccc(Cl)s1)[*:1] C[C@H](NC(=O)N[*:1])c1ccc2OCCOc2c1
CC(C)CCN(CCC#N)c1snc(Cl)c1C#N CC(C)C[*:1] N#CCCN(C[*:1])c1snc(Cl)c1C#N
CC(C)CCN(CCC#N)c1snc(Cl)c1C#N N#CCC[*:1] CC(C)CCN(c1snc(Cl)c1C#N)[*:1]
CC(C)CCN(CCC#N)c1snc(Cl)c1C#N CC(C)[*:1] N#CCCN(CC[*:1])c1snc(Cl)c1C#N
CC(C)CCN(CCC#N)c1snc(Cl)c1C#N CC(C)CC[*:1] N#CCCN(c1snc(Cl)c1C#N)[*:1]
CC(C)CCN(CCC#N)c1snc(Cl)c1C#N N#CC[*:1] CC(C)CCN(C[*:1])c1snc(Cl)c1C#N
CCCNC(=O)NC(=O)CN1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 CCC[*:1] COc1ccc(cc1F)C[NH+]1CCN(CC1)CC(=O)NC(=O)N[*:1]
N#Cc1ccc(OCC(=O)NNC(=O)c2cccs2)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)OCC(=O)NNC(=O)[*:1]
O=C1NC(=O)c2ccccc2/C1=C/c1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C1NC(=O)c2ccccc2/C1=C/c1cnn(c1)[*:1]
O=C1NC(=O)c2ccccc2/C1=C/c1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=C1NC(=O)c2ccccc2/C1=C/c1cnn(c1)C[*:1]
CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])[*:1]
CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 O=[N+]([O-])[*:1] CN(C(=O)Nc1ccc(cc1Cl)[*:1])C1CCOCC1
COCc1cc(SCC(=O)[O-])nc(-c2cccnc2)n1 c1cncc(c1)[*:1] COCc1cc(nc(n1)[*:1])SCC(=O)[O-]
COCc1cc(SCC(=O)[O-])nc(-c2cccnc2)n1 O=C([O-])[*:1] COCc1cc(nc(n1)-c1cccnc1)SC[*:1]
COCc1cc(SCC(=O)[O-])nc(-c2cccnc2)n1 O=C([O-])C[*:1] COCc1cc(nc(n1)-c1cccnc1)S[*:1]
COCc1cc(SCC(=O)[O-])nc(-c2cccnc2)n1 COC[*:1] O=C([O-])CSc1cc(nc(n1)-c1cccnc1)[*:1]
COCc1cc(SCC(=O)[O-])nc(-c2cccnc2)n1 O=C([O-])CS[*:1] COCc1cc(nc(n1)-c1cccnc1)[*:1]
CC(C)n1nccc1NC(=O)CCC[NH3+] CC(C)[*:1] [NH3+]CCCC(=O)Nc1ccnn1[*:1]
CC(C)n1nccc1NC(=O)CCC[NH3+] [NH3+]CCC[*:1] CC(C)n1nccc1NC(=O)[*:1]
CC(C)n1nccc1NC(=O)CCC[NH3+] [NH3+]CC[*:1] CC(C)n1nccc1NC(=O)C[*:1]
CC(C)(C)NC(=O)NCC1CCN(C(=O)c2ccncc2)CC1 CC(C)(C)[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccncc1)N[*:1]
CC(C)(C)NC(=O)NCC1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] CC(C)(C)NC(=O)NCC1CCN(CC1)C(=O)[*:1]
C[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H](C(N)=O)C1 NC(=O)[*:1] C[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H](C1)[*:1]
CCN(C(C)=O)c1nc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cs1 FC(F)(F)[*:1] CCN(C(C)=O)c1nc(cs1)CN1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CCN(C(C)=O)c1nc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cs1 FC(F)(F)c1cccc(c1)[*:1] CCN(C(C)=O)c1nc(cs1)CN1CCN(CC1)C(=O)[*:1]
CCN(C(C)=O)c1nc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cs1 CCN(C(C)=O)[*:1] O=C(c1cccc(c1)C(F)(F)F)N1CCN(CC1)Cc1csc(n1)[*:1]
C[C@@H](C#N)CN1CCc2ccccc2C1 C[C@@H](C#N)[*:1] c1ccc2CN(CCc2c1)C[*:1]
C[C@@H](C#N)CN1CCc2ccccc2C1 C[C@@H](C#N)C[*:1] c1ccc2CN(CCc2c1)[*:1]
Cn1cc(C[NH+](C)C2CCN(S(C)(=O)=O)CC2)c(-c2cccnc2)n1 c1cncc(c1)[*:1] Cn1cc(C[NH+](C)C2CCN(CC2)S(C)(=O)=O)c(n1)[*:1]
C[C@@H](Oc1ccccc1Br)C(=O)Nc1cccc2c1C(=O)NC2=O Brc1ccccc1O[*:1] C[C@@H](C(=O)Nc1cccc2C(=O)NC(=O)c12)[*:1]
C[C@@H](Oc1ccccc1Br)C(=O)Nc1cccc2c1C(=O)NC2=O Brc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc2C(=O)NC(=O)c12
COC(=O)CN1c2ccccc2OC[C@@H]1C COC(=O)[*:1] C[C@H]1COc2ccccc2N1C[*:1]
COC(=O)CN1c2ccccc2OC[C@@H]1C COC(=O)C[*:1] C[C@H]1COc2ccccc2N1[*:1]
CC(=O)Nc1ccc(Br)cc1Br CC(=O)N[*:1] Brc1ccc(c(Br)c1)[*:1]
C[C@@H](CCc1ccccc1)NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 c1ccc(cc1)C[*:1] C[C@@H](C[*:1])NC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
C[C@@H](CCc1ccccc1)NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
C[C@H]1CC[C@H](C)N(C(=O)c2ccc(N3CCC(O)CC3)cc2)C1 OC1CCN(CC1)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)c1ccc(cc1)[*:1]
COc1ccc(C(=O)N2CC[C@H](C)[C@H](O)C2)cc1-c1ccccn1 c1ccc(nc1)[*:1] COc1ccc(cc1[*:1])C(=O)N1CC[C@H](C)[C@H](O)C1
CCCOc1ccc([C@@H](C)NC(=O)c2ccncc2Cl)cc1OC CCC[*:1] COc1cc(ccc1O[*:1])[C@@H](C)NC(=O)c1ccncc1Cl
CCCOc1ccc([C@@H](C)NC(=O)c2ccncc2Cl)cc1OC CCCO[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)c1ccncc1Cl
CCCOc1ccc([C@@H](C)NC(=O)c2ccncc2Cl)cc1OC Clc1cnccc1[*:1] CCCOc1ccc(cc1OC)[C@@H](C)NC(=O)[*:1]
NC(=O)c1c(N)n([O-])c2cc(N3CCCCC3)c(F)cc2[n+]1=O C1CCN(CC1)[*:1] NC(=O)c1c(N)n([O-])c2cc(c(F)cc2[n+]1=O)[*:1]
NC(=O)c1c(N)n([O-])c2cc(N3CCCCC3)c(F)cc2[n+]1=O NC(=O)[*:1] Nc1c([n+](=O)c2cc(F)c(cc2n1[O-])N1CCCCC1)[*:1]
Cc1ccc(NC(=O)CC[NH2+]C[C@@H]2CCC[C@@H](C)C2)nc1 Cc1ccc(nc1)[*:1] C[C@@H]1CCC[C@@H](C[NH2+]CCC(=O)N[*:1])C1
COC(=O)c1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)c(O)c1 COC(=O)[*:1] C[NH+](C)Cc1cccc(c1)C(=O)Nc1ccc(cc1O)[*:1]
O=C1Nc2cc(SCCCO)c(Cl)cc2C1=O OCC[*:1] O=C1Nc2cc(SC[*:1])c(Cl)cc2C1=O
O=C1Nc2cc(SCCCO)c(Cl)cc2C1=O OCCC[*:1] O=C1Nc2cc(S[*:1])c(Cl)cc2C1=O
O=C1Nc2cc(SCCCO)c(Cl)cc2C1=O OCCCS[*:1] O=C1Nc2cc(c(Cl)cc2C1=O)[*:1]
CC[C@H](C(=O)Nc1cnc(Oc2ccccc2)nc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1cnc(nc1)O[*:1])c1ccccc1
CC[C@H](C(=O)Nc1cnc(Oc2ccccc2)nc1)c1ccccc1 c1ccc(cc1)O[*:1] CC[C@H](C(=O)Nc1cnc(nc1)[*:1])c1ccccc1
CC[C@H](C(=O)Nc1cnc(Oc2ccccc2)nc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1cnc(nc1)Oc1ccccc1)[*:1]
CC(=O)N(C)c1cccc(NCc2ccc(C)o2)c1 Cc1ccc(o1)[*:1] CC(=O)N(C)c1cccc(c1)NC[*:1]
CC(=O)N(C)c1cccc(NCc2ccc(C)o2)c1 CC(=O)N(C)[*:1] Cc1ccc(CNc2cccc(c2)[*:1])o1
Cc1cc(C)c(OCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)CO[*:1]
Cc1cc(C)c(OCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(OCC(=O)N(C)Cc2cnn(c2)[*:1])c(C)c1
Cc1ccccc1CS[C@@H]1CC[C@](C#N)(NC2CC2)C1 C1CC1N[*:1] Cc1ccccc1CS[C@@H]1CC[C@](C#N)(C1)[*:1]
Cc1ccccc1CS[C@@H]1CC[C@](C#N)(NC2CC2)C1 C1CC1[*:1] Cc1ccccc1CS[C@@H]1CC[C@@](C#N)(C1)N[*:1]
C[C@H]1Sc2ccc(C(=O)N(CC3CC3)c3ccccc3)cc2NC1=O C1CC1[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)N(C[*:1])c1ccccc1
C[C@H]1Sc2ccc(C(=O)N(CC3CC3)c3ccccc3)cc2NC1=O C1CC1C[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)N(c1ccccc1)[*:1]
C[C@H]1Sc2ccc(C(=O)N(CC3CC3)c3ccccc3)cc2NC1=O c1ccc(cc1)[*:1] C[C@H]1Sc2ccc(cc2NC1=O)C(=O)N(CC1CC1)[*:1]
CC(C)c1nnc(SCc2cccnc2)c2c1cnn2-c1ccc(F)cc1 CC(C)[*:1] Fc1ccc(cc1)-n1ncc2c(nnc(SCc3cccnc3)c21)[*:1]
CC(C)c1nnc(SCc2cccnc2)c2c1cnn2-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)c1nnc(SCc2cccnc2)c2c1cnn2[*:1]
CC(C)c1nnc(SCc2cccnc2)c2c1cnn2-c1ccc(F)cc1 c1cncc(c1)[*:1] CC(C)c1nnc(SC[*:1])c2c1cnn2-c1ccc(F)cc1
CC(C)c1nnc(SCc2cccnc2)c2c1cnn2-c1ccc(F)cc1 c1cncc(c1)C[*:1] CC(C)c1nnc(S[*:1])c2c1cnn2-c1ccc(F)cc1
CC(C)c1nnc(SCc2cccnc2)c2c1cnn2-c1ccc(F)cc1 c1cncc(c1)CS[*:1] CC(C)c1nnc(c2c1cnn2-c1ccc(F)cc1)[*:1]
C[C@H](CO)CSc1ccc(C=O)o1 C[C@H](CO)[*:1] O=Cc1ccc(o1)SC[*:1]
CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CNS(=O)(=O)CC(=O)N1CCCC[C@H]1[*:1]
CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1C[*:1]
CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1Cc1ccccc1 CNS(=O)(=O)C[*:1] O=C(N1CCCC[C@@H]1Cc1ccccc1)[*:1]
CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1Cc1ccccc1 CNS(=O)(=O)[*:1] O=C(C[*:1])N1CCCC[C@@H]1Cc1ccccc1
C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 CC(C)(C)c1noc(n1)[*:1] C[C@@H](N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] C[C@@H](c1nc(no1)C(C)(C)C)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 CC(C)(C)[*:1] C[C@@H](c1nc(no1)[*:1])N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[C@@H](c1nc(no1)C(C)(C)C)N1CCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
Cc1ccc(NC(=O)CCNC(=O)NCC[NH+]2CCCCC2)nc1 Cc1ccc(nc1)[*:1] O=C(CCNC(=O)NCC[NH+]1CCCCC1)N[*:1]
Cc1ccc(CCCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 Cc1ccc(cc1)[*:1] O=C(CCC[*:1])N[C@@H]1CCC[C@@H](C1)C(F)(F)F
Cc1ccc(CCCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)CCCC(=O)N[C@@H]1CCC[C@H](C1)[*:1]
C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1cc(C(=O)[O-])ccc1F O=C([O-])[*:1] C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1cc(ccc1F)[*:1]
C/C=C/C=C/C(=O)Nc1ccc(C(N)=O)cc1F CC=C[*:1] NC(=O)c1ccc(NC(=O)C=C[*:1])c(F)c1
C/C=C/C=C/C(=O)Nc1ccc(C(N)=O)cc1F C/C=C/C=C[*:1] NC(=O)c1ccc(NC(=O)[*:1])c(F)c1
C/C=C/C=C/C(=O)Nc1ccc(C(N)=O)cc1F NC(=O)[*:1] C/C=C/C=C/C(=O)Nc1ccc(cc1F)[*:1]
COc1cccc(-n2c(S[C@H](C)C(=O)N(C)C)nc3sc4c(c3c2=O)CCCCC4)c1 COc1cccc(c1)[*:1] C[C@@H](Sc1nc2sc3CCCCCc3c2c(=O)n1[*:1])C(=O)N(C)C
COc1cccc(-n2c(S[C@H](C)C(=O)N(C)C)nc3sc4c(c3c2=O)CCCCC4)c1 CN(C)C(=O)[*:1] COc1cccc(c1)-n1c(nc2sc3CCCCCc3c2c1=O)S[C@H](C)[*:1]
COC(=O)c1ccc(-c2nnn(CCCc3csc(C)n3)n2)cc1 Cc1nc(cs1)[*:1] COC(=O)c1ccc(cc1)-c1nnn(CCC[*:1])n1
COC(=O)c1ccc(-c2nnn(CCCc3csc(C)n3)n2)cc1 Cc1nc(cs1)CC[*:1] COC(=O)c1ccc(cc1)-c1nnn(C[*:1])n1
COC(=O)c1ccc(-c2nnn(CCCc3csc(C)n3)n2)cc1 COC(=O)[*:1] Cc1nc(cs1)CCCn1nnc(n1)-c1ccc(cc1)[*:1]
COC(=O)c1ccc(-c2nnn(CCCc3csc(C)n3)n2)cc1 Cc1nc(cs1)C[*:1] COC(=O)c1ccc(cc1)-c1nnn(CC[*:1])n1
O=C(c1ccc(-n2ccnn2)cc1)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(c1ccc(cc1)-n1ccnn1)N1CCN(CC1)[*:1]
O=C(c1ccc(-n2ccnn2)cc1)N1CCN(c2ccccc2O)CC1 c1cn(nn1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccccc1O
CN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 Fc1ccc(cc1)C[*:1] CN(C(=O)C(=O)Nc1ccc2nc(oc2c1)C1CC1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2nc(oc2c1)C1CC1
CN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] CN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc2nc(oc2c1)[*:1]
CNC(=O)CNc1nc2cc(Br)ccc2s1 CNC(=O)C[*:1] Brc1ccc2sc(nc2c1)N[*:1]
CNC(=O)CNc1nc2cc(Br)ccc2s1 CNC(=O)[*:1] Brc1ccc2sc(nc2c1)NC[*:1]
Cc1cc(C)cc(CSC[C@@](C)(O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)CSC[C@@](C)(O)[*:1]
NC(=O)CCNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 NC(=O)[*:1] O=C(NCC[*:1])N[C@@H]1C[C@@H]1C1CCCCC1
NC(=O)CCNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 NC(=O)CC[*:1] O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N[*:1]
NC(=O)CCNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 NC(=O)C[*:1] O=C(NC[*:1])N[C@@H]1C[C@@H]1C1CCCCC1
NC(=O)CCNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] NC(=O)CCNC(=O)N[C@@H]1C[C@H]1[*:1]
CCOC(=O)c1c(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)sc2c1CCCCC2 CCOC(=O)[*:1] O=C1CCCN2N=C(SCC(=O)Nc3sc4CCCCCc4c3[*:1])SC2=N1
CC1=NC(=O)[C@H](Cc2nc(CCc3ccccc3)n[nH]2)C(C)=N1 c1ccc(cc1)[*:1] CC1=NC(=O)[C@H](Cc2nc(CC[*:1])n[nH]2)C(C)=N1
CC1=NC(=O)[C@H](Cc2nc(CCc3ccccc3)n[nH]2)C(C)=N1 c1ccc(cc1)C[*:1] CC1=NC(=O)[C@H](Cc2nc(C[*:1])n[nH]2)C(C)=N1
O=C(C[NH2+]CCc1ccc(F)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 Fc1ccc(cc1)CC[*:1] O=C(C[NH2+][*:1])N1N=C(C[C@H]1c1ccco1)c1ccc(Cl)cc1
O=C(C[NH2+]CCc1ccc(F)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 Fc1ccc(cc1)[*:1] O=C(C[NH2+]CC[*:1])N1N=C(C[C@H]1c1ccco1)c1ccc(Cl)cc1
O=C(C[NH2+]CCc1ccc(F)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 Clc1ccc(cc1)[*:1] O=C(C[NH2+]CCc1ccc(F)cc1)N1N=C(C[C@H]1c1ccco1)[*:1]
O=C(C[NH2+]CCc1ccc(F)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(C[NH2+]CCc1ccc(F)cc1)N1N=C(C[C@@H]1[*:1])c1ccc(Cl)cc1
O=C(C[NH2+]CCc1ccc(F)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 Fc1ccc(cc1)C[*:1] O=C(C[NH2+]C[*:1])N1N=C(C[C@H]1c1ccco1)c1ccc(Cl)cc1
O=C(CCCc1ccccc1)N1CCN(c2ccc(O)cc2)CC1 c1ccc(cc1)[*:1] O=C(CCC[*:1])N1CCN(CC1)c1ccc(O)cc1
O=C(CCCc1ccccc1)N1CCN(c2ccc(O)cc2)CC1 c1ccc(cc1)CC[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(O)cc1
O=C(CCCc1ccccc1)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(CCCc1ccccc1)N1CCN(CC1)[*:1]
O=C(CCCc1ccccc1)N1CCN(c2ccc(O)cc2)CC1 c1ccc(cc1)C[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccc(O)cc1
COc1ccccc1C(=O)NCCC(=O)NN1C(=O)NC2(CCCCC2)C1=O COc1ccccc1[*:1] O=C(CCNC(=O)[*:1])NN1C(=O)NC2(CCCCC2)C1=O
CCS[C@H]1CC[C@]1([O-])CNS(=O)(=O)c1cc(C)c(C)s1 CCS[*:1] Cc1cc(sc1C)S(=O)(=O)NC[C@@]1([O-])CC[C@@H]1[*:1]
CSCc1ccnc(NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)c1 CSCc1ccnc(c1)[*:1] c1ccc2CN(CCc2c1)c1ccc(c[nH+]1)CN[*:1]
CSCc1ccnc(NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)c1 CSC[*:1] c1ccc2CN(CCc2c1)c1ccc(c[nH+]1)CNc1cc(ccn1)[*:1]
CCCCSC1=NC(=O)CC(N)=N1 CCCC[*:1] NC1CC(=O)N=C(N=1)S[*:1]
CCCCSC1=NC(=O)CC(N)=N1 CCC[*:1] NC1CC(=O)N=C(N=1)SC[*:1]
COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 COCC[*:1] Cc1cc2oc3C(=O)N([C@@H](c4ccc(cc4)[N+](=O)[O-])c3c(=O)c2cc1Cl)[*:1]
COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1[*:1]
COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 COC[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@@H](c4ccc(cc4)[N+](=O)[O-])c3c(=O)c2cc1Cl
COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(cc1)[*:1]
O=C(CCc1nc2ccccc2n1-c1ccccc1)NNC(=O)[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(CCc1nc2ccccc2n1[*:1])NNC(=O)[C@H]1CCCO1
CCc1nn(C)c(OC)c1CNC(=O)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] CCc1nn(C)c(OC)c1CNC(=O)N1CCC(CC1)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N1CCC(CC1)C[*:1]
CN(C)C(=O)CN(CC1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)CN(CC1CCCC1)[*:1]
CN(C)C(=O)CN(CC1CCCC1)c1ccccc1 CN(C)C(=O)[*:1] c1ccc(cc1)N(CC1CCCC1)C[*:1]
CN(C)C(=O)CN(CC1CCCC1)c1ccccc1 C1CCC(C1)[*:1] CN(C)C(=O)CN(C[*:1])c1ccccc1
CN(C)C(=O)CN(CC1CCCC1)c1ccccc1 CN(C)C(=O)C[*:1] c1ccc(cc1)N(CC1CCCC1)[*:1]
CN(C)C(=O)CN(CC1CCCC1)c1ccccc1 C1CCC(C1)C[*:1] CN(C)C(=O)CN(c1ccccc1)[*:1]
Cc1ccc2nc(-c3cccc(NC(=O)c4ccccc4C(=O)[O-])c3)[nH]c2c1 O=C([O-])[*:1] Cc1ccc2nc([nH]c2c1)-c1cccc(c1)NC(=O)c1ccccc1[*:1]
Cc1ccc2nc(-c3cccc(NC(=O)c4ccccc4C(=O)[O-])c3)[nH]c2c1 O=C([O-])c1ccccc1[*:1] Cc1ccc2nc([nH]c2c1)-c1cccc(c1)NC(=O)[*:1]
Cc1ccn2nc(N[C@@H](C)c3ccsc3)nc2c1 c1cc(cs1)[*:1] Cc1ccn2nc(nc2c1)N[C@@H](C)[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C CCS[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[*:1])[N+](=O)[O-]
CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(ccc1C)[*:1]
C[C@](O)(CO)CNc1nc(Br)cn2ccnc12 C[C@](O)(CO)[*:1] Brc1cn2ccnc2c(n1)NC[*:1]
CCO[C@@H]1C[C@H](NC(=O)C2=Cc3cc(F)ccc3OC2)C12CCC2 CCO[*:1] O=C(N[C@H]1C[C@H](C12CCC2)[*:1])C1=Cc2cc(F)ccc2OC1
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCC(C)C)CC3)cc2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)CNC(=O)C1(CC1)c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCC(C)C)CC3)cc2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(cc1)C1(CC1)C(=O)NC[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCC(C)C)CC3)cc2)c1 CC(C)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(cc1)C1(CC1)C(=O)N[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCC(C)C)CC3)cc2)c1 CC(C)CNC(=O)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(cc1)C1(CC1)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(NC(C)=O)c(F)cc1F c1ccc(cc1)C[*:1] CC[C@@H](NC(=O)Nc1cc(NC(C)=O)c(F)cc1F)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(NC(C)=O)c(F)cc1F CC(=O)N[*:1] CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(c(F)cc1F)[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(NC(C)=O)c(F)cc1F c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)Nc1cc(NC(C)=O)c(F)cc1F
C/[NH+]=C(/NCc1coc(-c2ccc(C)cc2)n1)NCc1ccoc1C Cc1ccc(cc1)[*:1] C/[NH+]=C(/NCc1coc(n1)[*:1])NCc1ccoc1C
C/[NH+]=C(/NCc1coc(-c2ccc(C)cc2)n1)NCc1ccoc1C Cc1occc1[*:1] C/[NH+]=C(/NCc1coc(n1)-c1ccc(C)cc1)NC[*:1]
C/[NH+]=C(/NCc1coc(-c2ccc(C)cc2)n1)NCc1ccoc1C Cc1occc1C[*:1] C/[NH+]=C(/NCc1coc(n1)-c1ccc(C)cc1)N[*:1]
COCc1cccc(CNC(=O)Cn2cc(Br)cn2)c1 COC[*:1] O=C(Cn1cc(Br)cn1)NCc1cccc(c1)[*:1]
COCc1cccc(CNC(=O)Cn2cc(Br)cn2)c1 Brc1cnn(c1)[*:1] COCc1cccc(c1)CNC(=O)C[*:1]
O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(Cl)cc4)cs3)cc21 c1coc(c1)[*:1] O=C1C[C@H](Cc2[nH]c(=O)c(cc21)-c1nc(cs1)-c1ccc(Cl)cc1)[*:1]
O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(Cl)cc4)cs3)cc21 Clc1ccc(cc1)[*:1] O=C1C[C@@H](Cc2[nH]c(=O)c(cc21)-c1nc(cs1)[*:1])c1ccco1
Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(C)CCc3cccs3)n21 c1csc(c1)CC[*:1] Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(C)[*:1])n21
Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(C)CCc3cccs3)n21 c1csc(c1)C[*:1] Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(C)C[*:1])n21
Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(C)CCc3cccs3)n21 c1csc(c1)[*:1] Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(C)CC[*:1])n21
Cn1cnc2cc(C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)ccc2c1=O c1c[nH]c(n1)[*:1] Cn1cnc2cc(ccc2c1=O)C(=O)N1CCC[C@@H](C1)[*:1]
CCCOCc1ccccc1CNC(=O)c1cn[nH]c1C CCC[*:1] Cc1[nH]ncc1C(=O)NCc1ccccc1CO[*:1]
CCCOCc1ccccc1CNC(=O)c1cn[nH]c1C CCCOC[*:1] Cc1[nH]ncc1C(=O)NCc1ccccc1[*:1]
CCCOCc1ccccc1CNC(=O)c1cn[nH]c1C CCCO[*:1] Cc1[nH]ncc1C(=O)NCc1ccccc1C[*:1]
CCCOCc1ccccc1CNC(=O)c1cn[nH]c1C Cc1[nH]ncc1[*:1] CCCOCc1ccccc1CNC(=O)[*:1]
O=C(Cn1cncn1)N1CCc2ccccc21 c1ncn(n1)[*:1] O=C(C[*:1])N1CCc2ccccc21
CCNS(=O)(=O)[C@@H]1CCN(Cc2sccc2Br)C1 Brc1ccsc1[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C[*:1]
CCNS(=O)(=O)[C@@H]1CCN(Cc2sccc2Br)C1 CCNS(=O)(=O)[*:1] Brc1ccsc1CN1CC[C@H](C1)[*:1]
CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ncc(Cl)n2C)C1 Cn1c(Cl)cnc1C[*:1] CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C1)[*:1]
CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ncc(Cl)n2C)C1 Cn1c(Cl)cnc1[*:1] CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C1)C[*:1]
CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ncc(Cl)n2C)C1 FC(F)(F)C[*:1] CCN(C(=O)[C@H]1CCCN(Cc2ncc(Cl)n2C)C1)[*:1]
CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ncc(Cl)n2C)C1 FC(F)(F)[*:1] CCN(C[*:1])C(=O)[C@H]1CCCN(Cc2ncc(Cl)n2C)C1
CCOCCn1/c(=N/C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2ccccc21 CCO[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)/N=c1\sc2ccccc2n1CC[*:1]
CCOCCn1/c(=N/C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2ccccc21 CCOCC[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)/N=c1\sc2ccccc2n1[*:1]
CCOCCn1/c(=N/C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2ccccc21 CCOC[*:1] CS(=O)(=O)N1CCC[C@@H]1C(=O)/N=c1\sc2ccccc2n1C[*:1]
C[NH+]1CCN(c2cc(C(=O)N(CCC#N)Cc3ccco3)ccn2)CC1 c1coc(c1)[*:1] C[NH+]1CCN(CC1)c1cc(ccn1)C(=O)N(CCC#N)C[*:1]
C[NH+]1CCN(c2cc(C(=O)N(CCC#N)Cc3ccco3)ccn2)CC1 N#CC[*:1] C[NH+]1CCN(CC1)c1cc(ccn1)C(=O)N(Cc1ccco1)C[*:1]
C[NH+]1CCN(c2cc(C(=O)N(CCC#N)Cc3ccco3)ccn2)CC1 N#CCC[*:1] C[NH+]1CCN(CC1)c1cc(ccn1)C(=O)N(Cc1ccco1)[*:1]
C[NH+]1CCN(c2cc(C(=O)N(CCC#N)Cc3ccco3)ccn2)CC1 c1coc(c1)C[*:1] C[NH+]1CCN(CC1)c1cc(ccn1)C(=O)N(CCC#N)[*:1]
CC(C)NC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F CC(C)[*:1] O=C(Nc1c(F)c(F)c(F)c(F)c1F)C(=O)N[*:1]
CC(C)NC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O CC(C)NC(=O)[*:1] O=C1c2cc(Cl)ccc2OC2(CCOCC2)CN1C[*:1]
CC(C)NC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O CC(C)[*:1] O=C(CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O)N[*:1]
CC(C)NC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O CC(C)NC(=O)C[*:1] O=C1c2cc(Cl)ccc2OC2(CCOCC2)CN1[*:1]
COc1ccc(/C(C)=N/N2CCN(Cc3ccccc3)CC2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)/C(C)=N/N1CCN(CC1)[*:1]
COc1ccc(/C(C)=N/N2CCN(Cc3ccccc3)CC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)/C(C)=N/N1CCN(CC1)C[*:1]
CC(C)C(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)C2)C1 CC(C)[*:1] O=C1CN(CCN1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)[C@H]1C[C@@H]2C=C[C@H]1C2 Clc1ccccc1C[*:1] O=C(Nc1ccc(=O)n(c1)[*:1])[C@H]1C[C@@H]2C=C[C@H]1C2
O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)[C@H]1C[C@@H]2C=C[C@H]1C2 Clc1ccccc1[*:1] O=C(Nc1ccc(=O)n(c1)C[*:1])[C@H]1C[C@@H]2C=C[C@H]1C2
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1 CC[C@H](C)[*:1] C[C@@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1 CC[C@H](C)NC(=O)[*:1] C[C@@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1C[C@H]1[*:1]
CC(C)(O)CCc1cccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 CC(C)(O)[*:1] O=C(c1cccc(c1)CC[*:1])N1CCC(CC1)Nc1cccc[nH+]1
CC(C)(O)CCc1cccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 CC(C)(O)C[*:1] O=C(c1cccc(c1)C[*:1])N1CCC(CC1)Nc1cccc[nH+]1
CC(C)(O)CCc1cccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 CC(C)(O)CC[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)Nc1cccc[nH+]1
Cc1cc2c(N3CCC[C@@H](C(=O)NCCCc4ccccc4)C3)[nH+]ccc2s1 c1ccc(cc1)CCC[*:1] Cc1cc2c([nH+]ccc2s1)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1cc2c(N3CCC[C@@H](C(=O)NCCCc4ccccc4)C3)[nH+]ccc2s1 c1ccc(cc1)CC[*:1] Cc1cc2c([nH+]ccc2s1)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1cc2c(N3CCC[C@@H](C(=O)NCCCc4ccccc4)C3)[nH+]ccc2s1 c1ccc(cc1)C[*:1] Cc1cc2c([nH+]ccc2s1)N1CCC[C@H](C1)C(=O)NCC[*:1]
Cc1cc2c(N3CCC[C@@H](C(=O)NCCCc4ccccc4)C3)[nH+]ccc2s1 c1ccc(cc1)[*:1] Cc1cc2c([nH+]ccc2s1)N1CCC[C@H](C1)C(=O)NCCC[*:1]
C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(C)c12 O=c1ccc2cc(ccc2o1)[*:1] C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)N[*:1])c(C)c12
C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(C)c12 C=C(C)CO[*:1] Cc1cc(c2c(C)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(=O)oc2c1)[*:1]
C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(C)c12 C=C(C)[*:1] Cc1cc(OC[*:1])c2c(C)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(=O)oc2c1
C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(C)c12 C=C(C)C[*:1] Cc1cc(O[*:1])c2c(C)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(=O)oc2c1
CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1 NS(=O)(=O)[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)C(=O)c1cc(C)c(C)c(c1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cc(C)on3)cc2)n1 Cc1cc(no1)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)O[C@@H](C)C(=O)N[*:1]
Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cc(C)on3)cc2)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)OC(=O)c1ccc(cc1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cc(C)on3)cc2)n1 Cc1cc(no1)NC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)O[C@@H](C)[*:1]
CCn1cc(C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)cn1 CCn1cc(cn1)[*:1] Cc1cc(ccc1NC(=O)[*:1])O[C@H](C)c1ccccc1
CCn1cc(C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)C(=O)Nc1ccc(cc1C)O[C@H](C)[*:1]
CCn1cc(C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)cn1 C[C@H](c1ccccc1)[*:1] CCn1cc(cn1)C(=O)Nc1ccc(cc1C)O[*:1]
CCN(C)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCN(C)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1cccc(OC)c1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(N=C2SCC(=O)N2[C@@H]1c1cccc(c1)OC)[*:1]
CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] CCOC(=O)C1=C(N=C2SCC(=O)N2[C@H]1[*:1])c1ccccc1
CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1cccc(OC)c1 CCOC(=O)[*:1] COc1cccc(c1)[C@@H]1C(=C(N=C2SCC(=O)N21)c1ccccc1)[*:1]
CC(C)[C@@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc2c(c1)CCO2 CC(C)[*:1] O[C@H]1CCC[C@H](C[NH2+][C@@H](c2ccc3OCCc3c2)[*:1])C1
CC(C)CN(C(=O)CN1CC[NH2+]CC1)C1CCCC1 CC(C)[*:1] O=C(CN1CC[NH2+]CC1)N(C[*:1])C1CCCC1
CC(C)CN(C(=O)CN1CC[NH2+]CC1)C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(C(=O)CN1CC[NH2+]CC1)[*:1]
CC(C)CN(C(=O)CN1CC[NH2+]CC1)C1CCCC1 CC(C)C[*:1] O=C(CN1CC[NH2+]CC1)N(C1CCCC1)[*:1]
Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(C)[*:1]
Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)[*:1])c1ccccc1
Cc1nn(C)c(Oc2cccnc2)c1CN1CCC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] Cc1nn(C)c(Oc2cccnc2)c1CN1CCC[C@H](C1)C[*:1]
Cc1nn(C)c(Oc2cccnc2)c1CN1CCC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] Cc1nn(C)c(Oc2cccnc2)c1CN1CCC[C@@H](C1)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1CN1CCC[C@@H](CN2CCOCC2)C1 c1cncc(c1)O[*:1] Cc1nn(C)c(c1CN1CCC[C@@H](CN2CCOCC2)C1)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1CN1CCC[C@@H](CN2CCOCC2)C1 c1cncc(c1)[*:1] Cc1nn(C)c(O[*:1])c1CN1CCC[C@@H](CN2CCOCC2)C1
C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1csc(-c2ccco2)n1 C=CCNC(=O)[*:1] C[C@H](S(=O)(=O)Cc1csc(n1)-c1ccco1)[*:1]
C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1csc(-c2ccco2)n1 c1coc(c1)[*:1] C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1csc(n1)[*:1]
C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1csc(-c2ccco2)n1 C=CC[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1csc(n1)-c1ccco1
C[C@H](Cc1ccco1)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 C[C@H](Cc1ccco1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccccc1
C[C@H](Cc1ccco1)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 c1coc(c1)[*:1] C[C@H](C[*:1])NC(=O)[C@H]1CCCN(C1)C(=O)c1ccccc1
C[C@H](Cc1ccco1)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](Cc1ccco1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@H](Cc1ccco1)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 c1coc(c1)C[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)C(=O)c1ccccc1)[*:1]
CC(C)(C)c1nn([C@@H]2CCS(=O)(=O)C2)c(N)c1Cl CC(C)(C)[*:1] Nc1c(Cl)c(nn1[C@@H]1CCS(=O)(=O)C1)[*:1]
CCc1ccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)cc1 c1cncc(c1)[*:1] CCc1ccc(cc1)NC(=O)c1cc(n(n1)-c1ccc(F)cc1)[*:1]
CCc1ccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)c1cc(-c2cccnc2)n(n1)[*:1]
CCc1ccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)cc1 CCc1ccc(cc1)[*:1] O=C(N[*:1])c1cc(-c2cccnc2)n(n1)-c1ccc(F)cc1
CCCOC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C CCCOC(=O)[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(C[*:1])c1C
CCCOC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C CCC[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(CC(=O)O[*:1])c1C
CCCOC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C CCCOC(=O)C[*:1] Cc1cc(C)nc(n1)-n1nc(C)c(c1C)[*:1]
C#CCN1CCN(C(=O)NCCNS(=O)(=O)c2ccn(C)c2)CC1 C#CC[*:1] Cn1ccc(c1)S(=O)(=O)NCCNC(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)NCCNS(=O)(=O)c2ccn(C)c2)CC1 Cn1ccc(c1)[*:1] C#CCN1CCN(CC1)C(=O)NCCNS(=O)(=O)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 c1ccc(cc1)C[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)Cc1ccccc1Cl)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 Clc1ccccc1C[*:1] CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(cc1)NC(=O)Cc1ccccc1Cl
C[C@H](CO)NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F C[C@H](CO)[*:1] O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)N[*:1]
C[C@H](CO)NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F c1ccc(cc1)C[*:1] C[C@H](CO)NC(=O)N[C@@H](c1ccccc1F)[*:1]
C[C@H](CO)NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F c1ccc(cc1)[*:1] C[C@H](CO)NC(=O)N[C@@H](C[*:1])c1ccccc1F
C[C@H](CO)NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F Fc1ccccc1[*:1] C[C@H](CO)NC(=O)N[C@@H](Cc1ccccc1)[*:1]
COc1ccc(OCc2cc(C(=O)NCc3ncc[nH]3)no2)c2ccccc12 c1c[nH]c(n1)[*:1] COc1ccc(OCc2cc(no2)C(=O)NC[*:1])c2ccccc12
COc1ccc(OCc2cc(C(=O)NCc3ncc[nH]3)no2)c2ccccc12 O=C(NCc1ncc[nH]1)[*:1] COc1ccc(OCc2cc(no2)[*:1])c2ccccc12
COc1ccc(OCc2cc(C(=O)NCc3ncc[nH]3)no2)c2ccccc12 c1c[nH]c(C[*:1])n1 COc1ccc(OCc2cc(no2)C(=O)N[*:1])c2ccccc12
CCOCC(=O)N1CCN(c2nn3c(NC4CCCC4)c(-c4ccc(C)cc4)nc3s2)CC1 C1CCC(C1)[*:1] CCOCC(=O)N1CCN(CC1)c1nn2c(N[*:1])c(nc2s1)-c1ccc(C)cc1
CCOCC(=O)N1CCN(c2nn3c(NC4CCCC4)c(-c4ccc(C)cc4)nc3s2)CC1 C1CCC(C1)N[*:1] CCOCC(=O)N1CCN(CC1)c1nn2c(c(nc2s1)-c1ccc(C)cc1)[*:1]
CCOCC(=O)N1CCN(c2nn3c(NC4CCCC4)c(-c4ccc(C)cc4)nc3s2)CC1 CCOC[*:1] Cc1ccc(cc1)-c1nc2sc(nn2c1NC1CCCC1)N1CCN(CC1)C(=O)[*:1]
CCOCC(=O)N1CCN(c2nn3c(NC4CCCC4)c(-c4ccc(C)cc4)nc3s2)CC1 Cc1ccc(cc1)[*:1] CCOCC(=O)N1CCN(CC1)c1nn2c(NC3CCCC3)c(nc2s1)[*:1]
CCOCC(=O)N1CCN(c2nn3c(NC4CCCC4)c(-c4ccc(C)cc4)nc3s2)CC1 CCO[*:1] Cc1ccc(cc1)-c1nc2sc(nn2c1NC1CCCC1)N1CCN(CC1)C(=O)C[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)CS(=O)(=O)NC)cc1 CC[C@@H](C)[*:1] CNS(=O)(=O)CC(=O)Nc1ccc(cc1)O[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)CS(=O)(=O)NC)cc1 CNS(=O)(=O)C[*:1] CC[C@@H](C)Oc1ccc(cc1)NC(=O)[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)CS(=O)(=O)NC)cc1 CNS(=O)(=O)[*:1] CC[C@@H](C)Oc1ccc(cc1)NC(=O)C[*:1]
CC[C@@H](C)Oc1ccc(NC(=O)CS(=O)(=O)NC)cc1 CC[C@@H](C)O[*:1] CNS(=O)(=O)CC(=O)Nc1ccc(cc1)[*:1]
CC[C@H](NC(=O)CCc1nc(C)no1)c1ccc(OC)cc1 Cc1noc(C[*:1])n1 CC[C@H](NC(=O)C[*:1])c1ccc(cc1)OC
CC[C@H](NC(=O)CCc1nc(C)no1)c1ccc(OC)cc1 Cc1noc(n1)[*:1] CC[C@H](NC(=O)CC[*:1])c1ccc(cc1)OC
COCc1nc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cs1 COC[*:1] O=C(c1csc(n1)[*:1])N1CCCC[C@@H]1c1ccc(F)cc1
COCc1nc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] COCc1nc(cs1)C(=O)N1CCCC[C@H]1[*:1]
CCC[C@@H]([NH3+])c1ccn(CC(=O)N[C@H](C)C(C)C)c1 CC(C)[C@@H](C)[*:1] CCC[C@@H]([NH3+])c1ccn(c1)CC(=O)N[*:1]
CCC[C@@H]([NH3+])c1ccn(CC(=O)N[C@H](C)C(C)C)c1 CCC[*:1] CC(C)[C@@H](C)NC(=O)Cn1ccc(c1)[C@H]([NH3+])[*:1]
CCC[C@@H]([NH3+])c1ccn(CC(=O)N[C@H](C)C(C)C)c1 CC(C)[*:1] CCC[C@@H]([NH3+])c1ccn(c1)CC(=O)N[C@H](C)[*:1]
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC2CCCC2)C1=O O=C(C[*:1])NC1CCCC1 C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc2ccccc2c1
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC2CCCC2)C1=O O=C(NC1CCCC1)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc2ccccc2c1
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC2CCCC2)C1=O C1CCC(C1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2ccccc2c1
COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O COc1ccccc1NC(=O)[*:1] Cc1cc(ccc1Cl)Oc1nc2ccccn2c(=O)c1C=C(C#N)[*:1]
COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O Cc1cc(ccc1Cl)O[*:1] COc1ccccc1NC(=O)/C(C#N)=C\c1c(nc2ccccn2c1=O)[*:1]
COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O COc1ccccc1[*:1] Cc1cc(ccc1Cl)Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)N[*:1]
COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O Cc1cc(ccc1Cl)[*:1] COc1ccccc1NC(=O)/C(C#N)=C\c1c(nc2ccccn2c1=O)O[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1cnn(C(C)(C)C)c(=O)c1Cl CC(C)(C)[*:1] CC(C)(C)n1ncc(N[C@@H]2CCC[C@H]2CNC(=O)O[*:1])c(Cl)c1=O
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1cnn(C(C)(C)C)c(=O)c1Cl CC(C)(C)OC(=O)NC[*:1] CC(C)(C)n1ncc(N[C@@H]2CCC[C@H]2[*:1])c(Cl)c1=O
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1cnn(C(C)(C)C)c(=O)c1Cl CC(C)(C)OC(=O)N[*:1] CC(C)(C)n1ncc(N[C@@H]2CCC[C@H]2C[*:1])c(Cl)c1=O
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1cnn(C(C)(C)C)c(=O)c1Cl CC(C)(C)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1Nc1cnn(c(=O)c1Cl)[*:1]
CC(=O)c1cccc(-c2ccc(NC(=O)N3CCOC[C@H](O)C3)cc2)c1 CC(=O)[*:1] O=C(Nc1ccc(cc1)-c1cccc(c1)[*:1])N1CCOC[C@H](O)C1
COc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4ccc(F)cc4)c3)C2=O)cc1 O=C(Cc1ccc(F)cc1)N[*:1] COc1ccc(cc1)CN1CCCN(C1=O)c1cccc(c1)[*:1]
COc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4ccc(F)cc4)c3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)Nc1cccc(c1)N1CCCN(C[*:1])C1=O
COc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4ccc(F)cc4)c3)C2=O)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)CN1CCCN(C1=O)c1cccc(c1)NC(=O)[*:1]
COc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4ccc(F)cc4)c3)C2=O)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CN1CCCN(C1=O)c1cccc(c1)NC(=O)C[*:1]
COc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4ccc(F)cc4)c3)C2=O)cc1 COc1ccc(cc1)C[*:1] O=C(Cc1ccc(F)cc1)Nc1cccc(c1)N1CCCN(C1=O)[*:1]
COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccco2)cc1 Cc1cccc(c1)NC(=O)[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccco1)SC[*:1]
COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccco2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)-n1c(nnc1-c1ccco1)SCC(=O)N[*:1]
COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccco2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CSc1nnc(-c2ccco2)n1[*:1]
COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)Nc1cccc(C)c1
CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)[*:1]
CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 CNC(=O)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)N1c2ccccc2C[C@H]1[*:1]
CCSC[C@H](CS)C(C)(C)C CCS[*:1] CC(C)(C)[C@@H](CS)C[*:1]
COc1ccc2c(c1)[C@@H](N)[C@@H]([NH+](CC1CC1)CC1CC1)C2 C1CC1C[*:1] COc1ccc2C[C@@H]([C@H](N)c2c1)[NH+](CC1CC1)[*:1]
COc1ccc2c(c1)[C@@H](N)[C@@H]([NH+](CC1CC1)CC1CC1)C2 C1CC1[*:1] COc1ccc2C[C@@H]([C@H](N)c2c1)[NH+](CC1CC1)C[*:1]
Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(C)cc4Br)nc23)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(NC(=O)Cn2nc3c(nccn3c2=O)O[*:1])c(Br)c1
Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(C)cc4Br)nc23)cc1 Cc1ccc(c(Br)c1)[*:1] Cc1ccc(cc1)Oc1nccn2c(=O)n(CC(=O)N[*:1])nc12
Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(C)cc4Br)nc23)cc1 Cc1ccc(cc1)O[*:1] Cc1ccc(NC(=O)Cn2nc3c(nccn3c2=O)[*:1])c(Br)c1
CCC(=O)Nc1ccc(C(=O)Cn2ncnc2-c2cccc(C#N)c2)cc1 N#Cc1cccc(c1)[*:1] CCC(=O)Nc1ccc(cc1)C(=O)Cn1ncnc1[*:1]
CCC(=O)Nc1ccc(C(=O)Cn2ncnc2-c2cccc(C#N)c2)cc1 CCC(=O)N[*:1] N#Cc1cccc(c1)-c1ncnn1CC(=O)c1ccc(cc1)[*:1]
CC(=O)Oc1cs/c(=N\c2ccc(C)c(C)c2)n1C(C)=O CC(=O)O[*:1] CC(=O)n1c(cs/c1=N\c1ccc(C)c(C)c1)[*:1]
CC1CCC(C)([NH2+]Cc2cnc(N3CCOCC3)nc2)CC1 C1CN(CCO1)[*:1] CC1CCC(C)(CC1)[NH2+]Cc1cnc(nc1)[*:1]
Cc1ccc(SC2(C(=O)N3CCCN(C(N)=O)CC3)CCCC2)cc1 Cc1ccc(cc1)[*:1] NC(=O)N1CCCN(CC1)C(=O)C1(CCCC1)S[*:1]
Cc1ccc(SC2(C(=O)N3CCCN(C(N)=O)CC3)CCCC2)cc1 Cc1ccc(cc1)S[*:1] NC(=O)N1CCCN(CC1)C(=O)C1(CCCC1)[*:1]
C=CCn1c(SCC(=O)N2CCCC[C@H]2C)nc2ccccc21 C=CC[*:1] C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1[*:1]
CC(=O)N(C)c1cccc(NC(=O)CCCc2cccs2)c1 c1csc(c1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)CCC[*:1]
CC(=O)N(C)c1cccc(NC(=O)CCCc2cccs2)c1 c1csc(c1)C[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)CC[*:1]
CC(=O)N(C)c1cccc(NC(=O)CCCc2cccs2)c1 CC(=O)N(C)[*:1] O=C(CCCc1cccs1)Nc1cccc(c1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)CCCc2cccs2)c1 c1csc(c1)CC[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)C[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@H](N2CCS(=O)(=O)CC2)C1 O=C([O-])[*:1] CC[NH2+][C@]1(CC[C@@H](C1)N1CCS(=O)(=O)CC1)[*:1]
COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O c1coc(c1)[*:1] COc1cc(ccc1O)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1C[*:1]
COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O COc1cc(ccc1O)[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](N1Cc1ccco1)[*:1]
COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O c1coc(c1)C[*:1] COc1cc(ccc1O)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
CSc1nc(C(=O)N2CCC[C@@H](C(=O)c3ccccc3SC)C2)cs1 CSc1ccccc1[*:1] CSc1nc(cs1)C(=O)N1CCC[C@H](C1)C(=O)[*:1]
CSc1nc(C(=O)N2CCC[C@@H](C(=O)c3ccccc3SC)C2)cs1 CSc1nc(cs1)[*:1] CSc1ccccc1C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[*:1])c1
CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 CC(=O)O[*:1] N#C/C(=C\c1cccc(c1)[*:1])C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
O=C1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CCCC1 C1CCC(C1)[*:1] O=C1CCC[C@@H]1[C@@H]1CCCCN1C(=O)[*:1]
O=C1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CCCC1 O=C1CCC[C@H]1[*:1] O=C(C1CCCC1)N1CCCC[C@H]1[*:1]
NC(=O)[C@H]1C[C@H](O)CN1c1ncnc2cc(-c3ccc(F)cc3)sc12 NC(=O)[*:1] O[C@H]1C[C@@H](N(C1)c1ncnc2cc(sc12)-c1ccc(F)cc1)[*:1]
NC(=O)[C@H]1C[C@H](O)CN1c1ncnc2cc(-c3ccc(F)cc3)sc12 Fc1ccc(cc1)[*:1] NC(=O)[C@H]1C[C@H](O)CN1c1ncnc2cc(sc12)[*:1]
CC(C)CC(=O)N[C@H](C(=O)N1CC[C@H](O)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CC(=O)N[C@H](C(=O)N1CC[C@H](O)C1)[*:1]
CC(C)CC(=O)N[C@H](C(=O)N1CC[C@H](O)C1)c1ccccc1 CC(C)C[*:1] O=C([C@@H](NC(=O)[*:1])c1ccccc1)N1CC[C@H](O)C1
CC(C)CC(=O)N[C@H](C(=O)N1CC[C@H](O)C1)c1ccccc1 CC(C)CC(=O)N[*:1] O=C([C@H](c1ccccc1)[*:1])N1CC[C@H](O)C1
CC(C)CC(=O)N[C@H](C(=O)N1CC[C@H](O)C1)c1ccccc1 CC(C)[*:1] O=C(C[*:1])N[C@H](C(=O)N1CC[C@H](O)C1)c1ccccc1
Cc1ccc[n+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1C Cc1ccc[n+](c1C)[*:1] CN1/C(=C/C(=O)C[*:1])C(C)(C)c2ccccc21
CN/C([O-])=C(\C#N)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] CN/C([O-])=C(\C#N)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN/C([O-])=C(\C#N)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN/C([O-])=C(\C#N)C(=O)c1ccc(c(c1)[*:1])N1CCCC1
COC(=O)[C@H]1Cc2nc[nH]c2CN1C(=O)c1sc(C(C)C)nc1C COC(=O)[*:1] Cc1nc(sc1C(=O)N1Cc2[nH]cnc2C[C@@H]1[*:1])C(C)C
COC(=O)[C@H]1Cc2nc[nH]c2CN1C(=O)c1sc(C(C)C)nc1C CC(C)[*:1] COC(=O)[C@H]1Cc2nc[nH]c2CN1C(=O)c1sc(nc1C)[*:1]
CC[C@@H]([NH2+][C@H](C)c1c(C)noc1C)C(=O)Nc1cc(C)on1 Cc1noc(C)c1[*:1] CC[C@@H]([NH2+][C@H](C)[*:1])C(=O)Nc1cc(C)on1
CC[C@@H]([NH2+][C@H](C)c1c(C)noc1C)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@@H]([NH2+][C@H](C)c1c(C)noc1C)C(=O)N[*:1]
Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1Br [NH3+]CC[*:1] Cc1cc(ccc1Br)C[NH+]1CCC(CC1)[*:1]
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccc2)n1[*:1])NNC(=O)[C@@H]1COc2ccccc2O1
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 c1ccc(cc1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])NNC(=O)[C@@H]1COc2ccccc2O1
C[C@H]1C[C@@H](C)C(=O)C(=C(CC2CC(=O)NC(=O)C2)N2CCCC2)C1=O O=C1CC(CC(=O)N1)[*:1] C[C@H]1C[C@@H](C)C(=O)C(C1=O)=C(C[*:1])N1CCCC1
C[C@H]1C[C@@H](C)C(=O)C(=C(CC2CC(=O)NC(=O)C2)N2CCCC2)C1=O C1CCN(C1)[*:1] C[C@H]1C[C@@H](C)C(=O)C(C1=O)=C(CC1CC(=O)NC(=O)C1)[*:1]
C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc(cc1)-n1ccnc1
C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)-n1ccnc1)c1ccc(cc1)[*:1]
C[C@H](CNC(=O)Nc1cccc(NC(=O)C2CC2)c1)C[NH+]1CCCC1 C1CC1[*:1] C[C@H](CNC(=O)Nc1cccc(c1)NC(=O)[*:1])C[NH+]1CCCC1
C[C@H](CNC(=O)Nc1cccc(NC(=O)C2CC2)c1)C[NH+]1CCCC1 O=C(N[*:1])C1CC1 C[C@H](CNC(=O)Nc1cccc(c1)[*:1])C[NH+]1CCCC1
Cn1cc(-c2nc(C(=O)NCCc3c(F)cccc3F)cs2)cn1 Fc1cccc(F)c1[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)NCC[*:1]
Cn1cc(-c2nc(C(=O)NCCc3c(F)cccc3F)cs2)cn1 Cn1cc(cn1)[*:1] O=C(NCCc1c(F)cccc1F)c1csc(n1)[*:1]
Cc1ccc(CC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(N1CCC(CC1)OCc1ccccc1F)[*:1]
Cc1ccc(CC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC(CC1)OCc1ccccc1F
Cc1ccc(CC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)CC(=O)N1CCC(CC1)OC[*:1]
Cc1ccc(CC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Fc1ccccc1C[*:1] Cc1ccc(cc1)CC(=O)N1CCC(CC1)O[*:1]
Cc1cc(C)cc(OCc2nc(-c3ccsc3)no2)c1 c1cc(cs1)[*:1] Cc1cc(C)cc(c1)OCc1nc(no1)[*:1]
CC[C@@H]1OCCC[C@@H]1C[NH2+]CCOC COCC[*:1] CC[C@@H]1OCCC[C@@H]1C[NH2+][*:1]
CC[C@@H]1OCCC[C@@H]1C[NH2+]CCOC COC[*:1] CC[C@@H]1OCCC[C@@H]1C[NH2+]C[*:1]
CC(=O)c1cc2ncc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2[nH]1 CC(=O)[*:1] O=C(c1cnc2cc([nH]c2c1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
CC(=O)c1cc2ncc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2[nH]1 c1ccc(cc1)[*:1] CC(=O)c1cc2ncc(cc2[nH]1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc([C@H]2CCCN2C(=O)Nc2cccnc2-n2cccn2)on1 c1cnn(c1)[*:1] Cc1cc(on1)[C@H]1CCCN1C(=O)Nc1cccnc1[*:1]
Cc1cc([C@H]2CCCN2C(=O)Nc2cccnc2-n2cccn2)on1 Cc1cc(on1)[*:1] O=C(Nc1cccnc1-n1cccn1)N1CCC[C@@H]1[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NCCCCl ClCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)NC[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NCCCCl ClCCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)N[*:1]
CC(C)c1cc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)nc(C(C)C)n1 C1CN(CCO1)[*:1] CC(C)c1cc(nc(n1)C(C)C)NC[C@H]([C@H]1CCOC1)[*:1]
CC(C)c1cc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)nc(C(C)C)n1 C1C[C@@H](CO1)[*:1] CC(C)c1cc(nc(n1)C(C)C)NC[C@H](N1CCOCC1)[*:1]
CC(C)c1cc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1cc(nc(n1)[*:1])NC[C@H]([C@H]1CCOC1)N1CCOCC1
CC(C)c1cc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1nc(cc(n1)[*:1])NC[C@H]([C@H]1CCOC1)N1CCOCC1
CC1(C)C(C(=O)N[C@H](C(=O)[O-])c2ccccc2)C1(C)C O=C([O-])[*:1] CC1(C)C(C(=O)N[C@H](c2ccccc2)[*:1])C1(C)C
CC1(C)C(C(=O)N[C@H](C(=O)[O-])c2ccccc2)C1(C)C c1ccc(cc1)[*:1] CC1(C)C(C(=O)N[C@H](C(=O)[O-])[*:1])C1(C)C
CC(C)NC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1ccc(Cl)cc1)CC2 Clc1ccc(cc1)[*:1] CC(C)NC(=O)Nc1nc2CCN(CC(=O)N[*:1])Cc2s1
CC(C)NC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1ccc(Cl)cc1)CC2 CC(C)NC(=O)N[*:1] O=C(CN1CCc2nc(sc2C1)[*:1])Nc1ccc(Cl)cc1
CC(C)NC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1ccc(Cl)cc1)CC2 CC(C)[*:1] O=C(CN1CCc2nc(NC(=O)N[*:1])sc2C1)Nc1ccc(Cl)cc1
O=C(Cn1cnc2sc3c(c2c1=O)CCSC3)N1N=C(c2cccs2)C[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(Cn1cnc2sc3CSCCc3c2c1=O)N1N=C(C[C@H]1[*:1])c1cccs1
O=C(Cn1cnc2sc3c(c2c1=O)CCSC3)N1N=C(c2cccs2)C[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(Cn1cnc2sc3CSCCc3c2c1=O)N1N=C(C[C@@H]1c1cccs1)[*:1]
COc1cc(Cn2cccc3c(=O)n(Cc4ccncc4)c(=O)nc2-3)cc(OC)c1 c1cc(ccn1)[*:1] COc1cc(cc(c1)OC)Cn1cccc2-c1nc(=O)n(C[*:1])c2=O
COc1cc(Cn2cccc3c(=O)n(Cc4ccncc4)c(=O)nc2-3)cc(OC)c1 COc1cc(cc(c1)[*:1])OC O=c1nc2-c(cccn2C[*:1])c(=O)n1Cc1ccncc1
COc1cc(Cn2cccc3c(=O)n(Cc4ccncc4)c(=O)nc2-3)cc(OC)c1 c1cc(ccn1)C[*:1] COc1cc(cc(c1)OC)Cn1cccc2-c1nc(=O)n(c2=O)[*:1]
Cc1ccc(C(=O)Nc2nn(C)c3c2C[C@@H](C)C(=O)N3)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1Cc2c(nn(C)c2NC1=O)NC(=O)[*:1]
CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)N[*:1]
CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)Nc1ccc(F)cc1 CCOC(=O)[*:1] N#Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ncc(cc12)[*:1]
CCCNC(=O)N1CCN(c2[nH+]c3ccccc3n2C)CC1 CCC[*:1] Cn1c([nH+]c2ccccc21)N1CCN(CC1)C(=O)N[*:1]
COc1cc(Br)c(CNS(C)(=O)=O)cc1OC CS(=O)(=O)N[*:1] COc1cc(Br)c(cc1OC)C[*:1]
CCc1nn(C)cc1C(=O)OC[C@@H]1CNC(c2ccccc2)=NO1 CCc1nn(C)cc1[*:1] O=C(OC[C@@H]1CNC(=NO1)c1ccccc1)[*:1]
CCc1nn(C)cc1C(=O)OC[C@@H]1CNC(c2ccccc2)=NO1 c1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)OC[C@@H]1CNC(=NO1)[*:1]
CC(C)CCOC(=O)C1CCN(c2nc3ccccc3o2)CC1 CC(C)C[*:1] O=C(OC[*:1])C1CCN(CC1)c1nc2ccccc2o1
CC(C)CCOC(=O)C1CCN(c2nc3ccccc3o2)CC1 CC(C)CC[*:1] O=C(O[*:1])C1CCN(CC1)c1nc2ccccc2o1
CC(C)CCOC(=O)C1CCN(c2nc3ccccc3o2)CC1 CC(C)[*:1] O=C(OCC[*:1])C1CCN(CC1)c1nc2ccccc2o1
CN(Cc1cccc2cnccc12)C(=O)c1cnc(-c2cccs2)nc1 c1csc(c1)[*:1] CN(Cc1cccc2cnccc12)C(=O)c1cnc(nc1)[*:1]
CC[C@H](C)Oc1ccccc1CN1CCC[NH2+]CC1 CC[C@H](C)[*:1] c1ccc(O[*:1])c(c1)CN1CCC[NH2+]CC1
CC[C@H](C)Oc1ccccc1CN1CCC[NH2+]CC1 CC[C@H](C)O[*:1] c1ccc(c(c1)CN1CCC[NH2+]CC1)[*:1]
C=C[C@@H]([NH2+]CCC)C(C)(C)OC CCC[*:1] C=C[C@@H]([NH2+][*:1])C(C)(C)OC
Cc1nn2c(=O)cc(CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3C)nc2s1 CC(C)(C)[*:1] Cc1nn2c(=O)cc(CSc3nnc(-c4ccc(cc4)[*:1])n3C)nc2s1
c1ccc2c(c1)ncn2-c1ccc(CN2CCO[C@H](c3nccs3)C2)cc1 c1csc(n1)[*:1] c1ccc2c(c1)ncn2-c1ccc(cc1)CN1CCO[C@H](C1)[*:1]
c1ccc2c(c1)ncn2-c1ccc(CN2CCO[C@H](c3nccs3)C2)cc1 c1ccc2c(c1)ncn2[*:1] c1csc(n1)[C@@H]1CN(CCO1)Cc1ccc(cc1)[*:1]
CC(=O)CCCCC/C=C/C(=O)[O-] O=C([O-])[*:1] CC(=O)CCCCCC=C[*:1]
CC(=O)CCCCC/C=C/C(=O)[O-] CC(=O)[*:1] O=C([O-])/C=C/CCCCC[*:1]
CC(=O)CCCCC/C=C/C(=O)[O-] CC(=O)C[*:1] O=C([O-])/C=C/CCCC[*:1]
COC(=O)Cn1/c(=N\C(=O)Cc2ccc(OC)c(C)c2)sc2cccc(F)c21 COc1ccc(cc1C)[*:1] COC(=O)Cn1/c(=N\C(=O)C[*:1])sc2cccc(F)c21
COC(=O)Cn1/c(=N\C(=O)Cc2ccc(OC)c(C)c2)sc2cccc(F)c21 COC(=O)[*:1] COc1ccc(cc1C)CC(=O)/N=c1/sc2cccc(F)c2n1C[*:1]
COC(=O)Cn1/c(=N\C(=O)Cc2ccc(OC)c(C)c2)sc2cccc(F)c21 COC(=O)C[*:1] COc1ccc(cc1C)CC(=O)/N=c1/sc2cccc(F)c2n1[*:1]
C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C)C(=O)N[*:1]
C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C)C(=O)NC(C)(C)C C[C@H]1OCC[C@H]1[*:1] C[C@H](NC(=O)[*:1])C(=O)NC(C)(C)C
O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@@H]1C=CC=NC1=S FC(F)(F)CO[*:1] O=C(Nc1ccc(nc1)[*:1])[C@@H]1C=CC=NC1=S
O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@@H]1C=CC=NC1=S FC(F)(F)[*:1] O=C(Nc1ccc(nc1)OC[*:1])[C@@H]1C=CC=NC1=S
O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@@H]1C=CC=NC1=S FC(F)(F)C[*:1] O=C(Nc1ccc(nc1)O[*:1])[C@@H]1C=CC=NC1=S
CCOc1ccc(NC(=O)c2c(C)nn(C)c2Cl)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])NC(=O)c1c(C)nn(C)c1Cl
CCOc1ccc(NC(=O)c2c(C)nn(C)c2Cl)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])NC(=O)c1c(C)nn(C)c1Cl
Cc1nc(-c2cccc(NC(=O)CCC(F)(F)F)c2)oc1C FC(F)(F)C[*:1] Cc1nc(oc1C)-c1cccc(c1)NC(=O)C[*:1]
Cc1nc(-c2cccc(NC(=O)CCC(F)(F)F)c2)oc1C FC(F)(F)CC[*:1] Cc1nc(oc1C)-c1cccc(c1)NC(=O)[*:1]
Cc1nc(-c2cccc(NC(=O)CCC(F)(F)F)c2)oc1C FC(F)(F)[*:1] Cc1nc(oc1C)-c1cccc(c1)NC(=O)CC[*:1]
Cc1nc(-c2cccc(NC(=O)CCC(F)(F)F)c2)oc1C Cc1nc(oc1C)[*:1] O=C(CCC(F)(F)F)Nc1cccc(c1)[*:1]
CC(C)NC(=O)C1CCC(CNC(=O)c2c(-c3ccccc3)nn3ncccc23)CC1 CC(C)NC(=O)[*:1] O=C(NCC1CCC(CC1)[*:1])c1c(nn2ncccc12)-c1ccccc1
CC(C)NC(=O)C1CCC(CNC(=O)c2c(-c3ccccc3)nn3ncccc23)CC1 c1ccc(cc1)[*:1] CC(C)NC(=O)C1CCC(CC1)CNC(=O)c1c(nn2ncccc12)[*:1]
CC(C)NC(=O)C1CCC(CNC(=O)c2c(-c3ccccc3)nn3ncccc23)CC1 CC(C)[*:1] O=C(NCC1CCC(CC1)C(=O)N[*:1])c1c(nn2ncccc12)-c1ccccc1
Cc1ccsc1C[NH+](Cc1cccc(O)c1)C1CCC(O)CC1 OC1CCC(CC1)[*:1] Cc1ccsc1C[NH+](Cc1cccc(O)c1)[*:1]
Cc1ccsc1C[NH+](Cc1cccc(O)c1)C1CCC(O)CC1 Cc1ccsc1C[*:1] Oc1cccc(c1)C[NH+](C1CCC(O)CC1)[*:1]
Cc1ccsc1C[NH+](Cc1cccc(O)c1)C1CCC(O)CC1 Oc1cccc(c1)[*:1] Cc1ccsc1C[NH+](C[*:1])C1CCC(O)CC1
Cc1ccsc1C[NH+](Cc1cccc(O)c1)C1CCC(O)CC1 Cc1ccsc1[*:1] Oc1cccc(c1)C[NH+](C[*:1])C1CCC(O)CC1
Cc1cc(C)cc(N2/C(=N/C(=O)CCC3CCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 C1CCC(C1)[*:1] Cc1cc(C)cc(c1)N1/C(=N/C(=O)CC[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1cc(C)cc(N2/C(=N/C(=O)CCC3CCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 C1CCC(C1)C[*:1] Cc1cc(C)cc(c1)N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1cc(C)cc(N2/C(=N/C(=O)CCC3CCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 Cc1cc(C)cc(c1)[*:1] O=C(CCC1CCCC1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1cc(C)cc(N2/C(=N/C(=O)CCC3CCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 C1CCC(C1)CC[*:1] Cc1cc(C)cc(c1)N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
CC(C)c1cc(CNC(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)on1 CC(C)[*:1] O=C(NCc1cc(no1)[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
CC(C)c1cc(CNC(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)on1 C1CCC(C1)O[*:1] CC(C)c1cc(CNC(=O)N[C@H]2CCCC[C@@H]2[*:1])on1
CC(C)c1cc(CNC(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)on1 C1CCC(C1)[*:1] CC(C)c1cc(CNC(=O)N[C@H]2CCCC[C@H]2O[*:1])on1
CC(C)c1cc(CNC(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)on1 CC(C)c1cc(on1)[*:1] O=C(NC[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C)n1-c1ccccc1C Cc1ccc(Cl)cc1[*:1] Cc1ccccc1-n1c(C)nnc1SCC(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C)n1-c1ccccc1C Cc1ccccc1[*:1] Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C)n1[*:1]
CCC(=O)N1[C@H](C(=O)NCc2ccccc2)CO[C@]12CCC[C@H](C)C2 c1ccc(cc1)[*:1] CCC(=O)N1[C@@H](CO[C@]12CCC[C@H](C)C2)C(=O)NC[*:1]
CCC(=O)N1[C@H](C(=O)NCc2ccccc2)CO[C@]12CCC[C@H](C)C2 c1ccc(cc1)C[*:1] CCC(=O)N1[C@@H](CO[C@]12CCC[C@H](C)C2)C(=O)N[*:1]
COc1ccc(-n2c(CSc3nnc(C(F)(F)F)n3N)nc3ccccc32)cc1 COc1ccc(cc1)[*:1] Nn1c(nnc1C(F)(F)F)SCc1nc2ccccc2n1[*:1]
COc1ccc(-n2c(CSc3nnc(C(F)(F)F)n3N)nc3ccccc32)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-n1c(CSc2nnc(n2N)[*:1])nc2ccccc21
O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1nccs1 c1ccc(cc1)[*:1] O=C(COc1ccccc1C(=O)N[*:1])Nc1nccs1
O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1nccs1 O=C(Nc1nccs1)[*:1] O=C(Nc1ccccc1)c1ccccc1OC[*:1]
O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1nccs1 c1csc(n1)[*:1] O=C(COc1ccccc1C(=O)Nc1ccccc1)N[*:1]
O=C(CCNS(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCSC1=O Fc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)[*:1])N[C@@H]1CCSC1=O
CC(=O)c1cccc(NC(=O)N2CCc3ccc(Cl)cc3C2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCc2ccc(Cl)cc2C1
CC(=O)CC(=O)NC1C(C)(C)C1(C)C CC(=O)[*:1] CC1(C)C(NC(=O)C[*:1])C1(C)C
CC(=O)CC(=O)NC1C(C)(C)C1(C)C CC(=O)C[*:1] CC1(C)C(NC(=O)[*:1])C1(C)C
COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C2C[C@@H](C)O[C@H](C)C2)CC1 COC(=O)[*:1] C[C@@H]1CC(C[C@@H](C)O1)[NH+]1CCN(CC1)[C@@H](c1ccc(Cl)cc1)[*:1]
COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C2C[C@@H](C)O[C@H](C)C2)CC1 Clc1ccc(cc1)[*:1] COC(=O)[C@H](N1CC[NH+](CC1)C1C[C@@H](C)O[C@H](C)C1)[*:1]
O=C(Nc1ccc(F)c(F)c1F)N(Cc1cccc(F)c1)C[C@H]1CCCO1 Fc1ccc(c(F)c1F)[*:1] O=C(N[*:1])N(Cc1cccc(F)c1)C[C@H]1CCCO1
O=C(Nc1ccc(F)c(F)c1F)N(Cc1cccc(F)c1)C[C@H]1CCCO1 Fc1cccc(c1)C[*:1] O=C(Nc1ccc(F)c(F)c1F)N(C[C@H]1CCCO1)[*:1]
O=C(Nc1ccc(F)c(F)c1F)N(Cc1cccc(F)c1)C[C@H]1CCCO1 Fc1cccc(c1)[*:1] O=C(Nc1ccc(F)c(F)c1F)N(C[C@H]1CCCO1)C[*:1]
Cc1ccc(-n2nc(C)c(C(=O)Nc3ccccn3)n2)c(C)c1 c1ccc(nc1)[*:1] Cc1ccc(c(C)c1)-n1nc(C)c(n1)C(=O)N[*:1]
CC(=O)N1CCN(C(=O)[C@@H](CC(C)C)NS(C)(=O)=O)CC1 CS(=O)(=O)N[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H](CC(C)C)[*:1]
CC(=O)N1CCN(C(=O)[C@@H](CC(C)C)NS(C)(=O)=O)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H](C[*:1])NS(C)(=O)=O
CC(=O)N1CCN(C(=O)[C@@H](CC(C)C)NS(C)(=O)=O)CC1 CC(C)C[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H](NS(C)(=O)=O)[*:1]
COCCn1c(Sc2nc(C(F)(F)F)nc3ccccc23)nc2ccccc21 COC[*:1] FC(F)(F)c1nc(Sc2nc3ccccc3n2C[*:1])c2ccccc2n1
COCCn1c(Sc2nc(C(F)(F)F)nc3ccccc23)nc2ccccc21 COCC[*:1] FC(F)(F)c1nc(Sc2nc3ccccc3n2[*:1])c2ccccc2n1
COCCn1c(Sc2nc(C(F)(F)F)nc3ccccc23)nc2ccccc21 FC(F)(F)[*:1] COCCn1c(nc2ccccc21)Sc1nc(nc2ccccc12)[*:1]
CCN(CC(C)(C)C[NH3+])C(=O)c1scnc1C CC(C)(C[NH3+])[*:1] CCN(C[*:1])C(=O)c1scnc1C
CC(C)SCC[NH+]1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 c1ccc(nc1)[*:1] CC(C)SCC[NH+]1CCC2(CCC(=O)N(C2)C[*:1])CC1
CC(C)SCC[NH+]1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 CC(C)SC[*:1] O=C1CCC2(CC[NH+](CC2)C[*:1])CN1Cc1ccccn1
CC(C)SCC[NH+]1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 CC(C)S[*:1] O=C1CCC2(CC[NH+](CC2)CC[*:1])CN1Cc1ccccn1
CC(C)SCC[NH+]1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 CC(C)[*:1] O=C1CCC2(CC[NH+](CCS[*:1])CC2)CN1Cc1ccccn1
CC(C)SCC[NH+]1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 c1ccc(C[*:1])nc1 CC(C)SCC[NH+]1CCC2(CCC(=O)N(C2)[*:1])CC1
CC[NH2+]C[C@@H]1CCCN(S(=O)(=O)NC[C@]2(C)CCCO2)C1 C[C@]1(CCCO1)C[*:1] CC[NH2+]C[C@@H]1CCCN(C1)S(=O)(=O)N[*:1]
CC[NH2+]C[C@@H]1CCCN(S(=O)(=O)NC[C@]2(C)CCCO2)C1 C[C@@]1(CCCO1)[*:1] CC[NH2+]C[C@@H]1CCCN(C1)S(=O)(=O)NC[*:1]
O=C(Nc1ccc(-n2cnnn2)cc1)[C@H](c1ccccc1)n1cccc1 c1nnnn1[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H](c1ccccc1)n1cccc1
O=C(Nc1ccc(-n2cnnn2)cc1)[C@H](c1ccccc1)n1cccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)[C@H](n1cccc1)[*:1]
O=C(Nc1ccc(-n2cnnn2)cc1)[C@H](c1ccccc1)n1cccc1 c1ccn(c1)[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)[C@H](c1ccccc1)[*:1]
CC[C@@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(C)c(Cl)c1)C(=O)N1CCOCC1 c1ccc(cc1)[*:1] CC[C@@H](SC1=NC(=C[*:1])C(=O)N1c1ccc(C)c(Cl)c1)C(=O)N1CCOCC1
CC[C@@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(C)c(Cl)c1)C(=O)N1CCOCC1 Cc1ccc(cc1Cl)[*:1] CC[C@@H](SC1=N/C(=C\c2ccccc2)C(=O)N1[*:1])C(=O)N1CCOCC1
CC[C@@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(C)c(Cl)c1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H](SC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(C)c(Cl)c1)[*:1]
CCOc1ccc(-c2nnc(-c3cnc4onc(C)c4c3)o2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])-c1nnc(o1)-c1cnc2onc(C)c2c1
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(cc1)[*:1]
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 Clc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])c1ccc(cc1)S(N)(=O)=O
CCOC1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 CCO[*:1] COc1cc(C#N)ccc1OCC[NH+]1CCC(CC1)[*:1]
CCCc1ccc2oc(C(=O)N3CCC(=O)NC[C@H]3C)c(C)c2c1 CCC[*:1] Cc1c(oc2ccc(cc12)[*:1])C(=O)N1CCC(=O)NC[C@H]1C
Fc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccncc2)cc1 c1cc(ccn1)[*:1] Fc1ccc(cc1)NC(=S)N1CCn2cccc2[C@@H]1[*:1]
Fc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccncc2)cc1 Fc1ccc(cc1)[*:1] S=C(N[*:1])N1CCn2cccc2[C@H]1c1ccncc1
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1C1CCCC1)Nc1ccccc1 C1CCC(C1)[*:1] O=C(C[C@H]1C(=O)N(C(=O)N1[*:1])c1ccccc1)Nc1ccccc1
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1C1CCCC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1C(=O)N(C(=O)N1C1CCCC1)c1ccccc1)N[*:1]
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1C1CCCC1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C1[C@H](C[*:1])N(C(=O)N1c1ccccc1)C1CCCC1
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1C1CCCC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1C(=O)N(C(=O)N1C1CCCC1)[*:1])Nc1ccccc1
O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1c1ccc(cc1)O[*:1]
O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1c1ccc(cc1)[*:1]
O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1c1ccc(OC(F)F)cc1 Oc1cccc(c1)[*:1] O=C1c2ccccc2N[C@H](N1c1ccc(cc1)OC(F)F)[*:1]
O=[N+]([O-])c1cccnc1N1CCN(C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] O=[N+]([O-])c1cccnc1N1CCN(CC1)[*:1]
O=[N+]([O-])c1cccnc1N1CCN(C[C@@H]2CCCO2)CC1 O=[N+]([O-])[*:1] c1cnc(c(c1)[*:1])N1CCN(CC1)C[C@@H]1CCCO1
O=[N+]([O-])c1cccnc1N1CCN(C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] O=[N+]([O-])c1cccnc1N1CCN(CC1)C[*:1]
O=C(NC(=S)Nc1ccccc1Cl)c1ccc2c(c1)OCCO2 Clc1ccccc1[*:1] O=C(NC(=S)N[*:1])c1ccc2OCCOc2c1
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC Clc1cc(Cl)cc(c1)[*:1] COc1ccc(/C=C(\C#N)C(=O)N[*:1])cc1OC
C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 Cn1cc(cn1)[*:1] C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCCN(C1)[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 Fc1cccc(c1)[*:1] C[C@H](CC[*:1])C(=O)N[C@@H]1CCCN(C1)c1cnn(C)c1
C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 Fc1cccc(c1)C[*:1] C[C@H](C[*:1])C(=O)N[C@@H]1CCCN(C1)c1cnn(C)c1
C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 Clc1ccccc1[*:1] C[C@@H](S[*:1])C(=O)N1CCC[C@H](C1)c1nnn[n-]1
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCCC(F)(F)F)C1 FC(F)(F)C[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NC[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCCC(F)(F)F)C1 FC(F)(F)[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NCC[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCCC(F)(F)F)C1 CC[S@](=O)[*:1] O=C(NCCC(F)(F)F)N[C@H]1CCC[C@H](C1)[*:1]
CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCCC(F)(F)F)C1 FC(F)(F)CC[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N[*:1]
CC(C)CN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C1CC1 CC(C)[*:1] O=C(Nc1ccccc1)C1CC[NH+](CC1)CC(=O)N(C[*:1])C1CC1
CC(C)CN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)C[NH+]1CCC(CC1)C(=O)Nc1ccccc1)[*:1]
CC(C)CN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C1CC1 CC(C)C[*:1] O=C(Nc1ccccc1)C1CC[NH+](CC1)CC(=O)N(C1CC1)[*:1]
CC(C)CN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C1CC1 c1ccc(cc1)[*:1] CC(C)CN(C(=O)C[NH+]1CCC(CC1)C(=O)N[*:1])C1CC1
COCCC[NH+]1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1 COC[*:1] Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](CC1)CC[*:1]
COCCC[NH+]1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1 COCC[*:1] Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](CC1)C[*:1]
COCCC[NH+]1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1 COCCC[*:1] Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](CC1)[*:1]
COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Cl)c(c1)[*:1]
CC(=O)Nc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)sc2c1 CC(=O)N[*:1] O=C(CSc1nc2ccc(cc2s1)[*:1])NC(c1ccccc1)c1ccccc1
CC(=O)Nc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)sc2c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc2nc(SCC(=O)NC(c3ccccc3)[*:1])sc2c1
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(O)(CC1)[*:1]
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(O)(C(F)(F)F)CC1 N#Cc1ccc(cc1)[*:1] COC(=O)[C@@H](N1CCC(O)(CC1)C(F)(F)F)[*:1]
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(O)(C(F)(F)F)CC1 COC(=O)[*:1] N#Cc1ccc(cc1)[C@@H](N1CCC(O)(CC1)C(F)(F)F)[*:1]
C=C(C)CN(CC)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@H](C1)[*:1] C=C(C)CN(CC)C(=O)[C@H]1CC(=O)N(C1)[*:1]
C=C(C)CN(CC)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 C=C(C)C[*:1] CCN(C(=O)[C@H]1CC(=O)N(C1)[C@@H]1CCS(=O)(=O)C1)[*:1]
C=C(C)CN(CC)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 C=C(C)[*:1] CCN(C[*:1])C(=O)[C@H]1CC(=O)N(C1)[C@@H]1CCS(=O)(=O)C1
CN(CCc1nccs1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 c1csc(n1)[*:1] CN(CC[*:1])C(=O)c1ccc(cc1)C(=O)OC(C)(C)C
CN(CCc1nccs1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 c1csc(C[*:1])n1 CN(C[*:1])C(=O)c1ccc(cc1)C(=O)OC(C)(C)C
CN(CCc1nccs1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] CN(CCc1nccs1)C(=O)c1ccc(cc1)C(=O)O[*:1]
CN(CCc1nccs1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 c1csc(CC[*:1])n1 CN(C(=O)c1ccc(cc1)C(=O)OC(C)(C)C)[*:1]
CN(CCc1nccs1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)OC(=O)[*:1] CN(CCc1nccs1)C(=O)c1ccc(cc1)[*:1]
COc1ccc(/C=C2/S/C(=N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)NC2=O)cc1 O=[N+]([O-])[*:1] COc1ccc(/C=C2/S/C(=N/N=C/c3ccc(Cl)c(c3)[*:1])NC2=O)cc1
COc1ccc(/C=C2/S/C(=N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)NC2=O)cc1 COc1ccc(cc1)[*:1] O=C1N/C(=N\N=C\c2ccc(Cl)c(c2)[N+](=O)[O-])SC1=C[*:1]
Cc1cccc(SCc2cc([O-])n3ncc(C#N)c3n2)c1 Cc1cccc(c1)[*:1] N#Cc1cnn2c([O-])cc(CS[*:1])nc12
CC(C)OCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 Brc1ccc(s1)[*:1] CC(C)OCc1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC(C)OCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)CO[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
CC(C)OCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 CC(C)O[*:1] O=C(c1ccc(cc1)C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
CC(C)OCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 CC(C)OC[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
O=C(COc1ccc(/C=N\NC(=O)C(=O)N2CCCCCC2)cc1)Nc1cccc(Cl)c1 O=C(Nc1cccc(Cl)c1)[*:1] O=C(N/N=C\c1ccc(cc1)OC[*:1])C(=O)N1CCCCCC1
O=C(COc1ccc(/C=N\NC(=O)C(=O)N2CCCCCC2)cc1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(COc1ccc(/C=N\NC(=O)C(=O)N2CCCCCC2)cc1)N[*:1]
Cc1c(Br)ccc2nc(C3CCCCC3)c(N)n12 C1CCC(CC1)[*:1] Cc1c(Br)ccc2nc(c(N)n12)[*:1]
Cc1cccc([C@H]([NH3+])[C@H](O)C(=O)[O-])c1 O=C([O-])[*:1] Cc1cccc(c1)[C@H]([NH3+])[C@H](O)[*:1]
O=C(CSc1nc2ccccc2s1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2s1)N1CCN(CC1)Cc1csc(n1)[*:1]
O=C(CSc1nc2ccccc2s1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 c1ccc2sc(nc2c1)S[*:1] O=C(C[*:1])N1CCN(CC1)Cc1csc(n1)-c1ccccc1
O=C(CSc1nc2ccccc2s1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(CS[*:1])N1CCN(CC1)Cc1csc(n1)-c1ccccc1
COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3F)CC2)cc1F Fc1ccccc1[*:1] COc1ccc(cc1F)C[NH+]1CCC(CC1)NC(=O)N[*:1]
COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3F)CC2)cc1F COc1ccc(cc1F)[*:1] O=C(Nc1ccccc1F)NC1CC[NH+](CC1)C[*:1]
CC1(C)C(C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1(C)C c1ccc(cc1)[*:1] CC1(C)C(C[NH2+]Cc2c[nH]nc2[*:1])C1(C)C
CC1(C)C(C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1(C)C CC1(C)C(C1(C)C)[*:1] c1ccc(cc1)-c1n[nH]cc1C[NH2+]C[*:1]
CC(C)[C@H](C)NC(=O)CCc1nc2ccccc2c(=O)n1C1CC1 CC(C)[C@H](C)[*:1] O=C(CCc1nc2ccccc2c(=O)n1C1CC1)N[*:1]
CC(C)[C@H](C)NC(=O)CCc1nc2ccccc2c(=O)n1C1CC1 C1CC1[*:1] CC(C)[C@H](C)NC(=O)CCc1nc2ccccc2c(=O)n1[*:1]
CC(C)[C@H](C)NC(=O)CCc1nc2ccccc2c(=O)n1C1CC1 CC(C)[*:1] C[C@H](NC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)[*:1]
CC(C)[C@H](C)NC(=O)CCc1nc2ccccc2c(=O)n1C1CC1 CC(C)[C@H](C)NC(=O)[*:1] O=c1c2ccccc2nc(CC[*:1])n1C1CC1
C=CCNC(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 C=CC[*:1] CC[C@@H]1CN(CC[C@@H]1c1ccccc1)C(=O)N[*:1]
C=CCNC(=O)N1CC[C@H](c2ccccc2)[C@H](CC)C1 c1ccc(cc1)[*:1] C=CCNC(=O)N1CC[C@H]([C@H](CC)C1)[*:1]
CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CCOc2ccccc21 CC(C)[*:1] c1ccc2c(c1)OCC[C@H]2[NH2+]C[C@@H]1CCCO[C@H]1[*:1]
COCC[C@@H](C)C(=O)Nc1ccccc1CS(C)(=O)=O COC[*:1] C[C@H](C[*:1])C(=O)Nc1ccccc1CS(C)(=O)=O
COCC[C@@H](C)C(=O)Nc1ccccc1CS(C)(=O)=O COCC[*:1] C[C@@H](C(=O)Nc1ccccc1CS(C)(=O)=O)[*:1]
COCC[C@@H](C)C(=O)Nc1ccccc1CS(C)(=O)=O CS(=O)(=O)C[*:1] COCC[C@@H](C)C(=O)Nc1ccccc1[*:1]
COCC[C@@H](C)C(=O)Nc1ccccc1CS(C)(=O)=O CS(=O)(=O)[*:1] COCC[C@@H](C)C(=O)Nc1ccccc1C[*:1]
COCC[C@@H](C)C(=O)Nc1ccccc1CS(C)(=O)=O COCC[C@@H](C)[*:1] CS(=O)(=O)Cc1ccccc1NC(=O)[*:1]
O=C1CC[C@H](C(=O)NNC(=O)COc2ccccc2-c2ccccc2)CN1 c1ccc(cc1)[*:1] O=C1CC[C@@H](CN1)C(=O)NNC(=O)COc1ccccc1[*:1]
C[C@H](NCc1ccccc1C(F)(F)F)[C@@H](O)c1ccccc1 FC(F)(F)[*:1] C[C@H](NCc1ccccc1[*:1])[C@@H](O)c1ccccc1
C[C@H](NCc1ccccc1C(F)(F)F)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NCc1ccccc1C(F)(F)F)[C@@H](O)[*:1]
Cc1cccc(CC(=O)N2CCN([C@H](C)C(=O)N3CCCCC3)CC2)c1 Cc1cccc(c1)[*:1] C[C@H](C(=O)N1CCCCC1)N1CCN(CC1)C(=O)C[*:1]
Cc1cccc(CC(=O)N2CCN([C@H](C)C(=O)N3CCCCC3)CC2)c1 O=C(N1CCCCC1)[*:1] Cc1cccc(c1)CC(=O)N1CCN(CC1)[C@H](C)[*:1]
Cc1cccc(CC(=O)N2CCN([C@H](C)C(=O)N3CCCCC3)CC2)c1 Cc1cccc(c1)C[*:1] C[C@H](C(=O)N1CCCCC1)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)c1ccccc1
Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H](C)[NH+]1CCN(CC1)[*:1]
C[C@@H](NCc1ccccc1Cl)C(=O)Nc1ccc(C#N)cc1 Clc1ccccc1[*:1] C[C@@H](NC[*:1])C(=O)Nc1ccc(C#N)cc1
COC(=O)C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1cccs1 c1csc(c1)[*:1] COC(=O)C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[*:1]
COC(=O)C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1cccs1 COC(=O)C[*:1] O=C(C[C@@H]1C[NH2+]CCO1)N[C@H](c1cccs1)[*:1]
COC(=O)C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1cccs1 COC(=O)[*:1] O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H](C[*:1])c1cccs1
O=C(NC[C@H](O)c1ccccc1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2ccccc2Cl)=N1 c1ccc(cc1)[*:1] O=C(NC[C@H](O)[*:1])C1=CC2=c3ccccc3=[NH+][C@H]2C(=N1)c1ccccc1Cl
O=C(NC[C@H](O)c1ccccc1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2ccccc2Cl)=N1 Clc1ccccc1[*:1] O=C(NC[C@H](O)c1ccccc1)C1=CC2=c3ccccc3=[NH+][C@H]2C(=N1)[*:1]
O=C(NC[C@H](O)c1ccccc1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2ccccc2Cl)=N1 O[C@@H](C[*:1])c1ccccc1 O=C(N[*:1])C1=CC2=c3ccccc3=[NH+][C@H]2C(=N1)c1ccccc1Cl
O=C(NC[C@H](O)c1ccccc1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2ccccc2Cl)=N1 O[C@H](c1ccccc1)[*:1] O=C(NC[*:1])C1=CC2=c3ccccc3=[NH+][C@H]2C(=N1)c1ccccc1Cl
O=C(Nc1cccc(-n2cnnc2)c1)c1ccccc1[C@H]1CC[NH2+]C1 c1nncn1[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1[C@H]1CC[NH2+]C1
CCCS(=O)(=O)[C@@H](C)C(=O)N(C)C CCC[*:1] C[C@@H](C(=O)N(C)C)S(=O)(=O)[*:1]
Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)no1 Cc1cc(no1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(C(=O)c2c1)C1CCCCC1
Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)no1 C1CCC(CC1)[*:1] Cc1cc(no1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC[C@H](N)C1=NC(=O)C2(CC2)C(=O)N1 CC[C@H](N)[*:1] O=C1N=C(NC(=O)C12CC2)[*:1]
O=C(NCC[C@H](O)c1ccccc1)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(NCC[C@H](O)[*:1])Nc1ccc2OCOc2c1
CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 CC(=O)N[*:1] N#C[C@@H](c1ccccc1)c1ccc(cc1Cl)[*:1]
CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(c(Cl)c1)[C@@H](C#N)[*:1]
C1COC2(CC[NH+](CCC3CC3)CC2)O1 C1CC1CC[*:1] C1COC2(CC[NH+](CC2)[*:1])O1
C1COC2(CC[NH+](CCC3CC3)CC2)O1 C1CC1[*:1] C1COC2(CC[NH+](CC2)CC[*:1])O1
C1COC2(CC[NH+](CCC3CC3)CC2)O1 C1CC1C[*:1] C1COC2(CC[NH+](CC2)C[*:1])O1
CCc1ccc([C@@H](C)NC(=O)NCCn2cccc2)cc1 c1ccn(c1)[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)NCC[*:1]
CCc1ccc([C@@H](C)NC(=O)NCCn2cccc2)cc1 c1ccn(c1)C[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)NC[*:1]
CCc1ccc([C@@H](C)NC(=O)NCCn2cccc2)cc1 c1ccn(c1)CC[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)N[*:1]
CC(=O)c1ccc(OCC(=O)Nc2ccccc2C(C)C)cc1 CC(=O)[*:1] CC(C)c1ccccc1NC(=O)COc1ccc(cc1)[*:1]
CC(=O)c1ccc(OCC(=O)Nc2ccccc2C(C)C)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1ccccc1[*:1]
CCOc1ccc(CC(=O)N(C2CC2)[C@H](C)C2CC2)cc1 C1CC1[*:1] CCOc1ccc(cc1)CC(=O)N(C1CC1)[C@H](C)[*:1]
CCOc1ccc(CC(=O)N(C2CC2)[C@H](C)C2CC2)cc1 C1CC1[*:1] CCOc1ccc(cc1)CC(=O)N([C@H](C)C1CC1)[*:1]
CCOc1ccc(CC(=O)N(C2CC2)[C@H](C)C2CC2)cc1 CCO[*:1] C[C@H](C1CC1)N(C(=O)Cc1ccc(cc1)[*:1])C1CC1
O=C(/C=C/c1nc2ccccc2s1)N1CCC[C@@H]1Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(/C=C/c1nc2ccccc2s1)N1CCC[C@H]1[*:1]
O=C(/C=C/c1nc2ccccc2s1)N1CCC[C@@H]1Cc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(/C=C/c1nc2ccccc2s1)N1CCC[C@@H]1C[*:1]
C[C@H](CNC(=O)CNC(=O)N1CCc2ccccc2C1)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNC(=O)CNC(=O)N1CCc2ccccc2C1)C[*:1]
C[C@H](CNC(=O)CNC(=O)N1CCc2ccccc2C1)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNC(=O)CNC(=O)N1CCc2ccccc2C1)[*:1]
Cc1sc2nc(S[C@@H](C)C(=O)N3CCC(C)CC3)n(C(C)C)c(=O)c2c1C CC1CCN(CC1)C(=O)[*:1] Cc1sc2nc(S[C@@H](C)[*:1])n(c(=O)c2c1C)C(C)C
Cc1sc2nc(S[C@@H](C)C(=O)N3CCC(C)CC3)n(C(C)C)c(=O)c2c1C CC(C)[*:1] Cc1sc2nc(S[C@@H](C)C(=O)N3CCC(C)CC3)n(c(=O)c2c1C)[*:1]
COc1ccc(-c2cc(=O)n(CCNC(=O)c3cccc([N+](=O)[O-])c3)cn2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] COc1ccc(cc1)-c1cc(=O)n(cn1)CCNC(=O)[*:1]
COc1ccc(-c2cc(=O)n(CCNC(=O)c3cccc([N+](=O)[O-])c3)cn2)cc1 COc1ccc(cc1)[*:1] O=C(NCCn1cnc(cc1=O)[*:1])c1cccc(c1)[N+](=O)[O-]
COc1ccc(-c2cc(=O)n(CCNC(=O)c3cccc([N+](=O)[O-])c3)cn2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)-c1cc(=O)n(cn1)CCNC(=O)c1cccc(c1)[*:1]
C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccco2)c2ncccc21 c1coc(c1)[*:1] C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(C[*:1])c2ncccc21
C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccco2)c2ncccc21 c1coc(c1)C[*:1] C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(c2ncccc21)[*:1]
Cc1ccc2c(C)c(C(=O)N(Cc3ccco3)Cc3ccco3)oc2c1 c1coc(c1)C[*:1] Cc1ccc2c(C)c(oc2c1)C(=O)N(Cc1ccco1)[*:1]
Cc1ccc2c(C)c(C(=O)N(Cc3ccco3)Cc3ccco3)oc2c1 c1coc(c1)[*:1] Cc1ccc2c(C)c(oc2c1)C(=O)N(Cc1ccco1)C[*:1]
CSC(C)(C)CNC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 CSC(C)(C)[*:1] C[C@H]1CN(Cc2ccc(cc2)C(=O)NC[*:1])C[C@H](C)O1
CSC(C)(C)CNC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 CSC(C)(C)C[*:1] C[C@H]1CN(Cc2ccc(cc2)C(=O)N[*:1])C[C@H](C)O1
FC(F)(F)C(F)(F)C(F)(F)/C=C\I FC(F)(F)[*:1] FC(F)(/C=C\I)C(F)(F)[*:1]
FC(F)(F)C(F)(F)C(F)(F)/C=C\I IC=C[*:1] FC(F)(F)C(F)(F)C(F)(F)[*:1]
Cc1ccccc1NC(=O)NCC1(CN2CCOCC2)CCCCC1 Cc1ccccc1[*:1] O=C(NCC1(CCCCC1)CN1CCOCC1)N[*:1]
Cc1ccccc1NC(=O)NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] Cc1ccccc1NC(=O)NCC1(CCCCC1)C[*:1]
Cc1ccccc1NC(=O)NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)C[*:1] Cc1ccccc1NC(=O)NCC1(CCCCC1)[*:1]
C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@](C#N)(CCc1ccccc1)NC(=O)C[*:1]
C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1c(F)cccc1F c1ccc(cc1)C[*:1] C[C@](C#N)(C[*:1])NC(=O)Cc1c(F)cccc1F
C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1c(F)cccc1F c1ccc(cc1)CC[*:1] C[C@](C#N)(NC(=O)Cc1c(F)cccc1F)[*:1]
C[C@](C#N)(CCc1ccccc1)NC(=O)Cc1c(F)cccc1F c1ccc(cc1)[*:1] C[C@](C#N)(CC[*:1])NC(=O)Cc1c(F)cccc1F
CC[NH+]1CCN(C[C@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 COc1ccc(F)c(c1)[*:1] CC[NH+]1CCN(CC1)C[C@]1(O)CCCN(C[*:1])C1=O
CC#CCOC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 c1cc(ccn1)[*:1] CC#CCOC(=O)c1ccc(O[*:1])c(Cl)c1
CC#CCOC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 CC#C[*:1] O=C(OC[*:1])c1ccc(Oc2ccncc2)c(Cl)c1
CC#CCOC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 CC#CC[*:1] O=C(O[*:1])c1ccc(Oc2ccncc2)c(Cl)c1
CC#CCOC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 CC#CCOC(=O)[*:1] Clc1cc(ccc1Oc1ccncc1)[*:1]
CC#CCOC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 c1cc(ccn1)O[*:1] CC#CCOC(=O)c1ccc(c(Cl)c1)[*:1]
C[C@H](NC(=O)Nc1ccccc1C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)Nc1ccccc1[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@H](NC(=O)Nc1ccccc1C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](NC(=O)Nc1ccccc1C(C)(C)C)c1ccc(cc1)[*:1]
Cc1ncsc1CN[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 Cc1ncsc1[*:1] C1C[NH2+][C@@H](C1)[C@H]1CCC[C@@H]1NC[*:1]
O=C(Cc1cc[nH]n1)N[C@H]1c2ccccc2C[C@@H]1O c1cc(C[*:1])n[nH]1 O=C(N[C@H]1c2ccccc2C[C@@H]1O)[*:1]
O=C(Cc1cc[nH]n1)N[C@H]1c2ccccc2C[C@@H]1O c1cc(n[nH]1)[*:1] O=C(C[*:1])N[C@H]1c2ccccc2C[C@@H]1O
CCOC[C@@H]1CCCN(C(=O)CCn2nc3ccccn3c2=O)C1 CCOC[*:1] O=C(CCn1nc2ccccn2c1=O)N1CCC[C@H](C1)[*:1]
CCOC[C@@H]1CCCN(C(=O)CCn2nc3ccccn3c2=O)C1 CCO[*:1] O=C(CCn1nc2ccccn2c1=O)N1CCC[C@H](C1)C[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(Oc3ccccc3)c2)s1 c1ccc(cc1)[*:1] CCc1nnc(s1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(c1)O[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(Oc3ccccc3)c2)s1 CCc1nnc(s1)[*:1] O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(c2)Oc2ccccc2)N1[*:1]
CCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(Oc3ccccc3)c2)s1 c1ccc(cc1)O[*:1] CCc1nnc(s1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(c1)[*:1]
Cc1ccc(Cn2nccc2NC(=O)[C@H]2COc3ccccc3C2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccnn1C[*:1])[C@H]1COc2ccccc2C1
Cc1ccc(Cn2nccc2NC(=O)[C@H]2COc3ccccc3C2)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1ccnn1[*:1])[C@H]1COc2ccccc2C1
CCCNc1cccc(CN2CCCCC[C@H]2C)[nH+]1 CCC[*:1] C[C@@H]1CCCCCN1Cc1cccc(N[*:1])[nH+]1
CCCNc1cccc(CN2CCCCC[C@H]2C)[nH+]1 CCCN[*:1] C[C@@H]1CCCCCN1Cc1cccc([nH+]1)[*:1]
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 c1ccc2cc(ccc2c1)C[*:1] COc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(c2ccccc21)[*:1]
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C1N(Cc2ccc3ccccc3c2)c2ccccc2[C@@]1(O)CC(=O)[*:1]
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 COc1ccc(cc1)C(=O)C[*:1] O=C1N(Cc2ccc3ccccc3c2)c2ccccc2[C@]1(O)[*:1]
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 COc1ccc(cc1)C(=O)[*:1] O=C1N(Cc2ccc3ccccc3c2)c2ccccc2[C@@]1(O)C[*:1]
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 c1ccc2cc(ccc2c1)[*:1] COc1ccc(cc1)C(=O)C[C@@]1(O)C(=O)N(C[*:1])c2ccccc21
Cc1sc2nc(S[C@H](C)C(=O)N(C)C)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1sc2nc(S[C@H](C)C(=O)N(C)C)n(c(=O)c2c1-c1ccc(F)cc1)[*:1]
Cc1sc2nc(S[C@H](C)C(=O)N(C)C)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc2nc(S[C@H](C)C(=O)N(C)C)n(-c3ccccc3)c(=O)c2c1[*:1]
Cc1sc2nc(S[C@H](C)C(=O)N(C)C)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1 CN(C)C(=O)[*:1] Cc1sc2nc(S[C@H](C)[*:1])n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1
CC[C@@H](CSC)NC(=O)NCc1cn2cc(Cl)ccc2n1 CSC[*:1] CC[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2n1)[*:1]
Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc(-c2ccco2)o1 CC(C)[*:1] Cc1nn(c(C)c1NC(=O)c1ccc(o1)-c1ccco1)[*:1]
Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc(-c2ccco2)o1 c1coc(c1)[*:1] Cc1nn(c(C)c1NC(=O)c1ccc(o1)[*:1])C(C)C
CCC[NH+]1CCC(N(C)Cc2ncccc2C)CC1 CCC[*:1] Cc1cccnc1CN(C)C1CC[NH+](CC1)[*:1]
C[C@H](NC(=O)c1ccncc1Cl)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccncc1Cl)C(=O)N[*:1]
C[C@H](NC(=O)c1ccncc1Cl)C(=O)Nc1ccccc1 Clc1cnccc1[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1ccccc1
CN(CC(C)(C)O)C(=O)CCCCO OCC[*:1] CN(CC(C)(C)O)C(=O)CC[*:1]
CN(CC(C)(C)O)C(=O)CCCCO CC(C)(O)[*:1] CN(C[*:1])C(=O)CCCCO
CN(CC(C)(C)O)C(=O)CCCCO OCCC[*:1] CN(CC(C)(C)O)C(=O)C[*:1]
CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](c3ccccc3C)C2)cc1 Cc1ccccc1[*:1] CCOc1ccc(cc1)NC(=O)C(=O)N1CCO[C@H](C1)[*:1]
CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](c3ccccc3C)C2)cc1 CCO[*:1] Cc1ccccc1[C@@H]1CN(CCO1)C(=O)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](c3ccccc3C)C2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccccc1[C@@H]1CN(CCO1)C(=O)C(=O)N[*:1]
CN(CC1(CO)CCC1)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 Clc1ccc(cc1)C[*:1] CN(CC1(CO)CCC1)C(=O)[C@@H]1CCC(=O)N(C1)C[*:1]
CN(CC1(CO)CCC1)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CN(CC1(CO)CCC1)C(=O)[C@@H]1CCC(=O)N(CC[*:1])C1
CN(CC1(CO)CCC1)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 Clc1ccc(cc1)CC[*:1] CN(CC1(CO)CCC1)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
CN(CC1(CO)CCC1)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 OCC1(CCC1)C[*:1] CN(C(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1)[*:1]
CN(CC1(CO)CCC1)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 OCC1(CCC1)[*:1] CN(C[*:1])C(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1
Cc1cc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c(C)n1C(C)C NC(=O)[*:1] Cc1cc(C(=O)Nc2ccc3[nH]nc(c3c2)[*:1])c(C)n1C(C)C
Cc1cc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c(C)n1C(C)C CC(C)[*:1] Cc1cc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c(C)n1[*:1]
C[NH+]1CCC(Oc2ccc(NC(=O)Nc3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCC(CC1)Oc1ccc(cc1)NC(=O)N[*:1]
COc1cc(NC[C@@H](CC(C)C)C(=O)[O-])nc(C)n1 CC(C)C[*:1] COc1cc(nc(C)n1)NC[C@@H](C(=O)[O-])[*:1]
COc1cc(NC[C@@H](CC(C)C)C(=O)[O-])nc(C)n1 O=C([O-])[*:1] COc1cc(nc(C)n1)NC[C@@H](CC(C)C)[*:1]
COc1cc(NC[C@@H](CC(C)C)C(=O)[O-])nc(C)n1 CC(C)[*:1] COc1cc(nc(C)n1)NC[C@@H](C[*:1])C(=O)[O-]
CCCc1c(C(=O)N2CCN(C(=O)CO)CC2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCCc1c([nH]c(C)c1[*:1])C(=O)N1CCN(CC1)C(=O)CO
CCCc1c(C(=O)N2CCN(C(=O)CO)CC2)[nH]c(C)c1C(C)=O CCC[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC2)C(=O)CO)c1[*:1]
COC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(Br)cs1 COC(=O)[*:1] C[C@@H]([NH2+]Cc1cc(Br)cs1)[C@@H](C)[*:1]
O=C(Cc1c(F)cccc1Cl)OCc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] O=C(Cc1c(F)cccc1Cl)OCc1ccc(cc1)[*:1]
O=C(Cc1c(F)cccc1Cl)OCc1ccc(-n2cccn2)cc1 Fc1cccc(Cl)c1[*:1] O=C(C[*:1])OCc1ccc(cc1)-n1cccn1
CCc1nn(C)c(CC)c1CN1CCN(C(=O)Cc2ccccc2C)CC1 Cc1ccccc1C[*:1] CCc1nn(C)c(CC)c1CN1CCN(CC1)C(=O)[*:1]
CCc1nn(C)c(CC)c1CN1CCN(C(=O)Cc2ccccc2C)CC1 Cc1ccccc1[*:1] CCc1nn(C)c(CC)c1CN1CCN(CC1)C(=O)C[*:1]
CC[C@@H](C)Nc1nc(Cl)ncc1[N+](=O)[O-] CC[C@@H](C)[*:1] O=[N+]([O-])c1cnc(Cl)nc1N[*:1]
CC[C@@H](C)Nc1nc(Cl)ncc1[N+](=O)[O-] CC[C@@H](C)N[*:1] O=[N+]([O-])c1cnc(Cl)nc1[*:1]
CC[C@@H](C)Nc1nc(Cl)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H](C)Nc1nc(Cl)ncc1[*:1]
CNc1cc(C(=O)N2CCC[C@@](CCOC)(C(=O)[O-])C2)ccn1 COCC[*:1] CNc1cc(ccn1)C(=O)N1CCC[C@](C1)(C(=O)[O-])[*:1]
CNc1cc(C(=O)N2CCC[C@@](CCOC)(C(=O)[O-])C2)ccn1 COC[*:1] CNc1cc(ccn1)C(=O)N1CCC[C@@](C1)(C[*:1])C(=O)[O-]
CNc1cc(C(=O)N2CCC[C@@](CCOC)(C(=O)[O-])C2)ccn1 O=C([O-])[*:1] CNc1cc(ccn1)C(=O)N1CCC[C@@](CCOC)(C1)[*:1]
COC(=O)c1cccc(CNC(=O)[C@H]2COc3ccc(F)cc3C2)c1 COC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1COc2ccc(F)cc2C1
CCN(Cc1cnn(C)c1)C(=O)CCNC(=O)NC1CCCCC1 Cn1cc(cn1)C[*:1] CCN(C(=O)CCNC(=O)NC1CCCCC1)[*:1]
CCN(Cc1cnn(C)c1)C(=O)CCNC(=O)NC1CCCCC1 Cn1cc(cn1)[*:1] CCN(C[*:1])C(=O)CCNC(=O)NC1CCCCC1
CCN(Cc1cnn(C)c1)C(=O)CCNC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CCN(Cc1cnn(C)c1)C(=O)CCNC(=O)N[*:1]
Cn1ncc2c(=O)n(CCNc3ccc(Cl)cc3)nnc21 Clc1ccc(cc1)[*:1] Cn1ncc2c(=O)n(CCN[*:1])nnc21
COc1ccc(-c2csc(N=C(N)N)n2)cc1 NC(N)=N[*:1] COc1ccc(cc1)-c1csc(n1)[*:1]
N#C[C@@H]1C(=N)C(C#N)(C#N)[C@H](c2cc(CN3CCOCC3)cs2)[C@H]2CCCC=C12 C1CN(CCO1)C[*:1] N#C[C@@H]1C(=N)C(C#N)(C#N)[C@H](c2cc(cs2)[*:1])[C@H]2CCCC=C12
N#C[C@@H]1C(=N)C(C#N)(C#N)[C@H](c2cc(CN3CCOCC3)cs2)[C@H]2CCCC=C12 C1CN(CCO1)[*:1] N#C[C@@H]1C(=N)C(C#N)(C#N)[C@H](c2cc(cs2)C[*:1])[C@H]2CCCC=C12
O=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c12)Nc1ccc2c(c1)OCCO2 Clc1ccc(cc1)[*:1] O=C(COc1ncnc2scc(c12)[*:1])Nc1ccc2OCCOc2c1
O=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c12)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c12)N[*:1]
c1ccc2c(c1)C[C@H](C[NH2+]C1COC1)S2 C1OCC1[*:1] c1ccc2S[C@@H](C[NH2+][*:1])Cc2c1
[NH3+]C[C@H]1CC[C@H](c2nc(-c3ccncc3)no2)O1 c1cc(ccn1)[*:1] [NH3+]C[C@H]1CC[C@@H](O1)c1nc(no1)[*:1]
CCc1noc([C@H](C)N2CC[NH+](Cc3nc(-c4ccc(OC)cc4)no3)CC2)n1 CCc1noc(n1)[*:1] COc1ccc(cc1)-c1noc(C[NH+]2CCN(CC2)[C@@H](C)[*:1])n1
CCc1noc([C@H](C)N2CC[NH+](Cc3nc(-c4ccc(OC)cc4)no3)CC2)n1 COc1ccc(cc1)[*:1] CCc1noc(n1)[C@H](C)N1CC[NH+](CC1)Cc1nc(no1)[*:1]
CC(C)Nc1ccnc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 c1cncc(c1)C[*:1] CC(C)Nc1ccnc(n1)N1CCC[C@@H](C1)c1[nH+]ccn1[*:1]
CC(C)Nc1ccnc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 c1cncc(c1)[*:1] CC(C)Nc1ccnc(n1)N1CCC[C@@H](C1)c1[nH+]ccn1C[*:1]
CC(C)Nc1ccnc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 CC(C)[*:1] c1cncc(c1)Cn1cc[nH+]c1[C@H]1CCCN(C1)c1nccc(n1)N[*:1]
CC(C)Nc1ccnc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 CC(C)N[*:1] c1cncc(c1)Cn1cc[nH+]c1[C@H]1CCCN(C1)c1nccc(n1)[*:1]
N#C/C(=C/c1cc(Br)ccc1OCC(=O)[O-])c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#C/C(=C/c1cc(Br)ccc1OCC(=O)[O-])[*:1]
N#C/C(=C/c1cc(Br)ccc1OCC(=O)[O-])c1ccc(F)cc1 O=C([O-])[*:1] N#C/C(=C/c1cc(Br)ccc1OC[*:1])c1ccc(F)cc1
N#C/C(=C/c1cc(Br)ccc1OCC(=O)[O-])c1ccc(F)cc1 O=C([O-])C[*:1] N#C/C(=C/c1cc(Br)ccc1O[*:1])c1ccc(F)cc1
N#C/C(=C/c1cc(Br)ccc1OCC(=O)[O-])c1ccc(F)cc1 O=C([O-])CO[*:1] N#C/C(=C/c1cc(Br)ccc1[*:1])c1ccc(F)cc1
C[NH2+][C@H]1CCC[C@H](O[C@H](C)COC)C1 COC[*:1] C[NH2+][C@H]1CCC[C@@H](C1)O[C@H](C)[*:1]
O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 O=[N+]([O-])[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccccc1[*:1]
O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)C1CCN(CC1)[*:1]
O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 c1coc(c1)[*:1] O=C(C1CCN(CC1)c1ccccc1[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(-n2nc(C)cc2C)c1 CCC[*:1] Cc1cc(C)n(n1)-c1cccc(c1)C(=O)N1CCN(C)C(=O)[C@H]1C[*:1]
CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(-n2nc(C)cc2C)c1 Cc1cc(C)n(n1)[*:1] CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(c1)[*:1]
CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(-n2nc(C)cc2C)c1 CCCC[*:1] Cc1cc(C)n(n1)-c1cccc(c1)C(=O)N1CCN(C)C(=O)[C@H]1[*:1]
C[C@]1(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)Cc2ccccc2C(=O)O1 FC(F)(F)[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)Nc1ccc(cc1[*:1])NC(=O)c1ccco1
C[C@]1(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)Cc2ccccc2C(=O)O1 c1coc(c1)[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)Nc1ccc(cc1C(F)(F)F)NC(=O)[*:1]
C[C@]1(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)Cc2ccccc2C(=O)O1 O=C(N[*:1])c1ccco1 C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
CC[C@@H](Cl)[C@H](C)Cc1nccs1 CC[C@@H](Cl)[*:1] C[C@H](Cc1nccs1)[*:1]
Cc1ccc(OCC2CCCC2)c(C[NH3+])n1 C1CCC(C1)[*:1] Cc1ccc(OC[*:1])c(C[NH3+])n1
O=C(c1cccc(Cn2cccn2)c1)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] O=C(c1cccc(c1)Cn1cccn1)N1CCN(CC1)[*:1]
O=C(c1cccc(Cn2cccn2)c1)N1CCN(c2nccs2)CC1 c1cnn(c1)C[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)c1nccs1
O=C(c1cccc(Cn2cccn2)c1)N1CCN(c2nccs2)CC1 c1cnn(c1)[*:1] O=C(c1cccc(c1)C[*:1])N1CCN(CC1)c1nccs1
N#C[C@H](c1ccc(C2CC2)cc1)N1CCCCC1 C1CC1[*:1] N#C[C@H](c1ccc(cc1)[*:1])N1CCCCC1
N#C[C@H](c1ccc(C2CC2)cc1)N1CCCCC1 C1CCN(CC1)[*:1] N#C[C@H](c1ccc(cc1)C1CC1)[*:1]
CCOC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)[C@@H]1c1ccco1 c1coc(c1)[*:1] CCOC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)[C@H]1[*:1]
CCOC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)[C@@H]1c1ccco1 CCOC(=O)[*:1] N#CC1=C2Sc3ccccc3C(=O)N2C(N)=C([C@H]1c1ccco1)[*:1]
CC1(C)NC(=O)[C@@H](C2CC2)N(Cc2cccc(O)c2)C1=O C1CC1[*:1] CC1(C)NC(=O)[C@@H](N(Cc2cccc(O)c2)C1=O)[*:1]
CC1(C)NC(=O)[C@@H](C2CC2)N(Cc2cccc(O)c2)C1=O Oc1cccc(c1)[*:1] CC1(C)NC(=O)[C@@H](C2CC2)N(C[*:1])C1=O
CC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1N1CCC2(CC1)OCCO2 Brc1cccc(c1)[*:1] CC1C(=NS(=O)(=O)C=1[*:1])N1CCC2(CC1)OCCO2
CC(C)c1cc(Nc2ccc3[nH]nc(C(N)=O)c3c2)nc(C(C)C)n1 NC(=O)[*:1] CC(C)c1cc(nc(n1)C(C)C)Nc1ccc2[nH]nc(c2c1)[*:1]
CC(C)c1cc(Nc2ccc3[nH]nc(C(N)=O)c3c2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1cc(nc(n1)[*:1])Nc1ccc2[nH]nc(C(N)=O)c2c1
CC(C)c1cc(Nc2ccc3[nH]nc(C(N)=O)c3c2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1nc(cc(n1)[*:1])Nc1ccc2[nH]nc(C(N)=O)c2c1
C[C@H](C(=O)NCCOc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O Brc1cccc(c1)[*:1] C[C@H](C(=O)NCCO[*:1])N1C(=O)c2ccccc2C1=O
C[C@H](C(=O)NCCOc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O Brc1cccc(c1)O[*:1] C[C@H](C(=O)NCC[*:1])N1C(=O)c2ccccc2C1=O
NC(=O)Nc1cccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 O=S(=O)(N[*:1])c1cccs1 NC(=O)Nc1cccc(c1)C(=O)N1CCC(CC1)[*:1]
NC(=O)Nc1cccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 NC(=O)N[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)NS(=O)(=O)c1cccs1
NC(=O)Nc1cccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 c1csc(c1)[*:1] NC(=O)Nc1cccc(c1)C(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
FC(F)c1c(CCl)cnn1-c1ccc(C(F)(F)F)cn1 FC(F)[*:1] FC(F)(F)c1ccc(nc1)-n1ncc(CCl)c1[*:1]
FC(F)c1c(CCl)cnn1-c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] FC(F)c1c(cnn1-c1ccc(cn1)[*:1])CCl
CO[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cnc(C(C)(C)C)s1 CC(C)(C)[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cnc(s1)[*:1]
Cc1sc2nc(COC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)[nH]c(=O)c2c1C c1ccc(cc1)[*:1] Cc1sc2nc(COC(=O)CNC(=O)c3ccc(cc3)[*:1])[nH]c(=O)c2c1C
CC[C@H](C)[C@](C)(O)CNC(=O)C(C)(C)CC(C)C CC(C)C[*:1] CC[C@H](C)[C@](C)(O)CNC(=O)C(C)(C)[*:1]
CC[C@H](C)[C@](C)(O)CNC(=O)C(C)(C)CC(C)C CC(C)[*:1] CC[C@H](C)[C@](C)(O)CNC(=O)C(C)(C)C[*:1]
CC[C@H](C)[C@](C)(O)CNC(=O)C(C)(C)CC(C)C CC[C@H](C)[*:1] CC(C)CC(C)(C)C(=O)NC[C@](C)(O)[*:1]
CCCCCC[C@@H](C)NC(=O)N1CCC(C(N)=O)CC1 CCCCC[*:1] C[C@H](C[*:1])NC(=O)N1CCC(CC1)C(N)=O
CCCCCC[C@@H](C)NC(=O)N1CCC(C(N)=O)CC1 CCC[*:1] C[C@H](CCC[*:1])NC(=O)N1CCC(CC1)C(N)=O
CCCCCC[C@@H](C)NC(=O)N1CCC(C(N)=O)CC1 CCCCCC[*:1] C[C@@H](NC(=O)N1CCC(CC1)C(N)=O)[*:1]
CCCCCC[C@@H](C)NC(=O)N1CCC(C(N)=O)CC1 CCCC[*:1] C[C@H](CC[*:1])NC(=O)N1CCC(CC1)C(N)=O
CCCCCC[C@@H](C)NC(=O)N1CCC(C(N)=O)CC1 NC(=O)[*:1] CCCCCC[C@@H](C)NC(=O)N1CCC(CC1)[*:1]
CC(=O)N/C(=C/c1ccccc1)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CC(=O)N[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)C(=Cc1ccccc1)[*:1]
CC(=O)N/C(=C/c1ccccc1)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 c1ccc(cc1)[*:1] CC(=O)NC(=C[*:1])C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
Nc1ccc(C(=O)N[C@H]2CCCCC[C@@H]2C(=O)[O-])cc1Cl O=C([O-])[*:1] Nc1ccc(cc1Cl)C(=O)N[C@H]1CCCCC[C@H]1[*:1]
CN(C(=O)C=C(C1CC1)C1CC1)[C@H]1CCc2ccccc21 C1CC1[*:1] CN(C(=O)C=C(C1CC1)[*:1])[C@H]1CCc2ccccc21
COc1ccc(S(=O)(=O)NC[C@@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1Cl COc1ccc(cc1Cl)[*:1] Cn1cc(c2ccccc21)[C@H](CNS(=O)(=O)[*:1])[NH+](C)C
N#Cc1cc2c(nc1SCc1noc(-c3cccs3)n1)CCCC2 c1csc(c1)[*:1] N#Cc1cc2CCCCc2nc1SCc1noc(n1)[*:1]
CC1=c2ccccc2=[NH+]C(=O)[C@@H]1Sc1nnc(-c2ccccc2Br)o1 Brc1ccccc1[*:1] CC1=c2ccccc2=[NH+]C(=O)[C@@H]1Sc1nnc(o1)[*:1]
C/[NH+]=C(/NCCc1csc(N2CCCC2)n1)NC(C)(C)C CC(C)(C)[*:1] C/[NH+]=C(/NCCc1csc(n1)N1CCCC1)N[*:1]
C/[NH+]=C(/NCCc1csc(N2CCCC2)n1)NC(C)(C)C C1CCN(C1)[*:1] C/[NH+]=C(/NCCc1csc(n1)[*:1])NC(C)(C)C
COc1ccccc1Nc1ncnc(-n2nc(C)cc2C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1Nc1ncnc(c1[*:1])-n1nc(C)cc1C
COc1ccccc1Nc1ncnc(-n2nc(C)cc2C)c1[N+](=O)[O-] COc1ccccc1[*:1] Cc1cc(C)n(n1)-c1ncnc(N[*:1])c1[N+](=O)[O-]
COc1ccccc1Nc1ncnc(-n2nc(C)cc2C)c1[N+](=O)[O-] Cc1cc(C)n(n1)[*:1] COc1ccccc1Nc1ncnc(c1[N+](=O)[O-])[*:1]
N#Cc1csc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1 C1C[C@H](CO1)O[*:1] N#Cc1csc(c1)C(=O)Nc1ccc(cc1)[*:1]
N#Cc1csc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1 N#Cc1csc(c1)[*:1] O=C(Nc1ccc(cc1)O[C@@H]1CCOC1)[*:1]
Clc1ccc([C@@H]2CN(Cc3cnc[nH]3)CCO2)cc1Cl c1ncc([nH]1)[*:1] Clc1ccc(cc1Cl)[C@@H]1CN(CCO1)C[*:1]
Clc1ccc([C@@H]2CN(Cc3cnc[nH]3)CCO2)cc1Cl c1ncc(C[*:1])[nH]1 Clc1ccc(cc1Cl)[C@@H]1CN(CCO1)[*:1]
O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccn2)n[nH]1 c1ccc(nc1)[*:1] O=C1c2ccccc2C(=O)N1Cc1nc(n[nH]1)[*:1]
CC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] CC[C@@](C)([NH3+])C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
C[C@H]([NH2+]CCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C[C@H]([NH2+]CC[*:1])[C@H](O)c1ccc(O)cc1
C[C@H]([NH2+]CCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C[C@H]([NH2+]CCc1ccc(O)cc1)[C@H](O)[*:1]
O=C(CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)NC1CC1 C1CC1[*:1] O=C(CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N[*:1]
C=CC[NH+](CC(=O)[O-])CC(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] C=CC[NH+](CC(=O)[O-])CC(=O)N[*:1]
C=CC[NH+](CC(=O)[O-])CC(=O)Nc1cc(C)on1 O=C([O-])[*:1] C=CC[NH+](CC(=O)Nc1cc(C)on1)C[*:1]
C=CC[NH+](CC(=O)[O-])CC(=O)Nc1cc(C)on1 C=CC[*:1] Cc1cc(no1)NC(=O)C[NH+](CC(=O)[O-])[*:1]
Cc1nc(CNC(=O)c2c[nH]nc2-c2ccccc2)sc1C c1ccc(cc1)[*:1] Cc1nc(CNC(=O)c2c[nH]nc2[*:1])sc1C
Cc1nc(CNC(=O)c2c[nH]nc2-c2ccccc2)sc1C Cc1nc(sc1C)[*:1] O=C(NC[*:1])c1c[nH]nc1-c1ccccc1
CCOc1ccc(C(=O)NNC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1 CCO[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NNC(=O)c1ccc(cc1)[*:1]
Cc1cc(OCc2nc(N)nc(C)c2C(=O)N(C)C)ccc1Cl CN(C)C(=O)[*:1] Cc1cc(ccc1Cl)OCc1nc(N)nc(C)c1[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(C)no2)c1 Cc1noc(n1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCC[C@H]1[*:1]
CCN1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1cc(F)cc(Cl)c1)CC2 Fc1cc(Cl)cc(c1)[*:1] CCN1CCc2[nH]c[nH+]c2C12CCN(CC2)C(=O)[*:1]
CC[C@@H](C)N(C)c1ncccc1/C(N)=N/O N/C(=N\O)[*:1] CC[C@@H](C)N(C)c1ncccc1[*:1]
CC[C@@H](C)N(C)c1ncccc1/C(N)=N/O CC[C@@H](C)[*:1] CN(c1ncccc1/C(N)=N/O)[*:1]
NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 NC(=O)[*:1] O=C(c1ccc(cc1)Nc1cc[nH+]cc1)N1CCC[C@@H](CC[*:1])C1
NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 NC(=O)CC[*:1] O=C(c1ccc(cc1)Nc1cc[nH+]cc1)N1CCC[C@H](C1)[*:1]
NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 NC(=O)C[*:1] O=C(c1ccc(cc1)Nc1cc[nH+]cc1)N1CCC[C@H](C1)C[*:1]
O=C(N[C@H]1CCc2ccccc21)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(N[C@H]1CCc2ccccc21)N[C@H](CO)[*:1]
NC(=O)NC(=O)CSc1nnc2sc3ccccc3n12 NC(=O)NC(=O)[*:1] c1ccc2c(c1)sc1nnc(SC[*:1])n12
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)[*:1]
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O c1ccc2sc(nc2c1)[*:1] C[C@@H](N(C)C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)[*:1]
CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N2CCOc3ccccc3C2)CC1 CS(=O)(=O)N1CCC(CC1)[*:1] O=C(c1ccccc1O[*:1])N1CCOc2ccccc2C1
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1[*:1]
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] Cc1ccc(cc1)[*:1] COc1ccc(/C=N/NC(=O)C(=O)N[*:1])cc1[N+](=O)[O-]
CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1 CCc1ccccc1[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1 CCc1ccccc1NC(=O)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N1CCC(CC1)[*:1]
CC[C@@H](NC(=O)NCCNC(C)=O)c1ccc(Br)cc1 CC(=O)N[*:1] CC[C@@H](NC(=O)NCC[*:1])c1ccc(Br)cc1
CC[C@@H](NC(=O)NCCNC(C)=O)c1ccc(Br)cc1 CC(=O)NCC[*:1] CC[C@@H](NC(=O)N[*:1])c1ccc(Br)cc1
CC[C@@H](NC(=O)NCCNC(C)=O)c1ccc(Br)cc1 CC(=O)NC[*:1] CC[C@@H](NC(=O)NC[*:1])c1ccc(Br)cc1
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NNC(=O)c1cccnc1 c1cncc(c1)[*:1] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NNC(=O)[*:1]
CC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1OC)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1OC)[*:1]
CCN(C(=O)[C@@H](C)Sc1nncn1C)c1cc(C)cc(C)c1 Cn1cnnc1S[*:1] CCN(C(=O)[C@@H](C)[*:1])c1cc(C)cc(C)c1
CCN(C(=O)[C@@H](C)Sc1nncn1C)c1cc(C)cc(C)c1 Cn1cnnc1[*:1] CCN(C(=O)[C@@H](C)S[*:1])c1cc(C)cc(C)c1
Nn1c(SCCOc2ccccc2Cl)nnc1-c1ccco1 c1coc(c1)[*:1] Nn1c(nnc1[*:1])SCCOc1ccccc1Cl
Nn1c(SCCOc2ccccc2Cl)nnc1-c1ccco1 Clc1ccccc1[*:1] Nn1c(nnc1-c1ccco1)SCCO[*:1]
O=C(Nc1ccc(C(=O)NCCc2ccccc2F)s1)c1ccco1 Fc1ccccc1C[*:1] O=C(Nc1ccc(s1)C(=O)NC[*:1])c1ccco1
O=C(Nc1ccc(C(=O)NCCc2ccccc2F)s1)c1ccco1 c1coc(c1)[*:1] O=C(NCCc1ccccc1F)c1ccc(NC(=O)[*:1])s1
O=C(Nc1ccc(C(=O)NCCc2ccccc2F)s1)c1ccco1 Fc1ccccc1[*:1] O=C(Nc1ccc(s1)C(=O)NCC[*:1])c1ccco1
O=C(Nc1ccc(C(=O)NCCc2ccccc2F)s1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(NCCc1ccccc1F)c1ccc(s1)[*:1]
Cc1c(NC(=O)c2ccc(F)cc2)cccc1-c1nc2cccnc2s1 Fc1ccc(cc1)[*:1] Cc1c(cccc1-c1nc2cccnc2s1)NC(=O)[*:1]
CCCNC(=O)c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2=O)nc1 CCC[*:1] O=C(N[*:1])c1ccc(nc1)N[C@H]1CCCN(Cc2ccccc2)C1=O
CCCNC(=O)c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2=O)nc1 CCCNC(=O)[*:1] O=C1[C@H](CCCN1Cc1ccccc1)Nc1ccc(cn1)[*:1]
CCCNC(=O)c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2=O)nc1 c1ccc(cc1)C[*:1] CCCNC(=O)c1ccc(nc1)N[C@H]1CCCN(C1=O)[*:1]
CCCNC(=O)c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2=O)nc1 c1ccc(cc1)[*:1] CCCNC(=O)c1ccc(nc1)N[C@H]1CCCN(C[*:1])C1=O
Cc1c(Cl)cccc1NC(=O)CNC(=O)NC[C@@H]1COc2ccccc2O1 Cc1c(Cl)cccc1[*:1] O=C(CNC(=O)NC[C@@H]1COc2ccccc2O1)N[*:1]
CCc1nc2nc(CSc3ccccn3)cc([O-])n2n1 c1ccc(nc1)[*:1] CCc1nc2nc(cc([O-])n2n1)CS[*:1]
Cc1csc([C@@H]2CCCN(Cc3cnc(CC(C)C)s3)C2)n1 CC(C)[*:1] Cc1csc(n1)[C@@H]1CCCN(Cc2cnc(C[*:1])s2)C1
Cc1csc([C@@H]2CCCN(Cc3cnc(CC(C)C)s3)C2)n1 CC(C)C[*:1] Cc1csc(n1)[C@@H]1CCCN(Cc2cnc(s2)[*:1])C1
Cc1csc([C@@H]2CCCN(Cc3cnc(CC(C)C)s3)C2)n1 Cc1csc(n1)[*:1] CC(C)Cc1ncc(CN2CCC[C@H](C2)[*:1])s1
CCC1CCC([NH+](CCO)CC2CC2)CC1 C1CC1C[*:1] CCC1CCC(CC1)[NH+](CCO)[*:1]
CCC1CCC([NH+](CCO)CC2CC2)CC1 OCC[*:1] CCC1CCC(CC1)[NH+](CC1CC1)[*:1]
CCC1CCC([NH+](CCO)CC2CC2)CC1 C1CC1[*:1] CCC1CCC(CC1)[NH+](CCO)C[*:1]
Cc1ccc(-c2noc(C[S@](=O)Cc3ccc(C#N)cc3)n2)cc1F N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1F)-c1noc(C[S@](=O)C[*:1])n1
Cc1ccc(-c2noc(C[S@](=O)Cc3ccc(C#N)cc3)n2)cc1F Cc1ccc(cc1F)[*:1] N#Cc1ccc(cc1)C[S@@](=O)Cc1nc(no1)[*:1]
COc1cccc(O[C@@H](C)c2nnc(SCC(=O)[O-])n2C)c1 O=C([O-])CS[*:1] COc1cccc(c1)O[C@@H](C)c1nnc(n1C)[*:1]
COc1cccc(O[C@@H](C)c2nnc(SCC(=O)[O-])n2C)c1 O=C([O-])C[*:1] COc1cccc(c1)O[C@@H](C)c1nnc(S[*:1])n1C
COc1cccc(O[C@@H](C)c2nnc(SCC(=O)[O-])n2C)c1 O=C([O-])[*:1] COc1cccc(c1)O[C@@H](C)c1nnc(SC[*:1])n1C
O=C(CN1C(=O)C2(CC[NH2+]CC2)Nc2ccccc21)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C1N(C[*:1])c2ccccc2NC12CC[NH2+]CC2
CCOc1ccnc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C Brc1ccc(cc1)C[*:1] CCOc1ccnc2c1c(=O)n(c(=O)n2C)[*:1]
CCOc1ccnc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C Brc1ccc(cc1)[*:1] CCOc1ccnc2c1c(=O)n(C[*:1])c(=O)n2C
CCOc1ccnc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C CCO[*:1] Cn1c(=O)n(Cc2ccc(Br)cc2)c(=O)c2c(ccnc21)[*:1]
Cc1ccc(NC(=O)NC[C@@H]2CCCC[C@H]2C)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NC[C@@H]1CCCC[C@H]1C
NC1=[NH+]C[C@@]2(CCC[C@H](C3CC3)C2)N1c1ccc(Cl)cc1 C1CC1[*:1] NC1=[NH+]C[C@@]2(CCC[C@H](C2)[*:1])N1c1ccc(Cl)cc1
NC1=[NH+]C[C@@]2(CCC[C@H](C3CC3)C2)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] NC1=[NH+]C[C@@]2(CCC[C@@H](C2)C2CC2)N1[*:1]
CCOc1ccc(NC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)cc1 CCO[*:1] COc1cc(C)c(cc1OC)[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
O=C(NCc1cccs1)C1CCN(C(=O)[C@@H]2Sc3ccccc3NC2=O)CC1 c1csc(c1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)[C@@H]1Sc2ccccc2NC1=O
O=C(NCc1cccs1)C1CCN(C(=O)[C@@H]2Sc3ccccc3NC2=O)CC1 c1csc(c1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@@H]1Sc2ccccc2NC1=O
O=C(NCc1cccs1)C1CCN(C(=O)[C@@H]2Sc3ccccc3NC2=O)CC1 O=C(NCc1cccs1)[*:1] O=C1Nc2ccccc2S[C@H]1C(=O)N1CCC(CC1)[*:1]
FC(F)(F)COc1cc(C[NH2+]Cc2cccc3c2OCCO3)ccn1 FC(F)(F)C[*:1] c1cc(C[NH2+]Cc2ccnc(c2)O[*:1])c2OCCOc2c1
FC(F)(F)COc1cc(C[NH2+]Cc2cccc3c2OCCO3)ccn1 FC(F)(F)[*:1] c1cc(C[NH2+]Cc2ccnc(c2)OC[*:1])c2OCCOc2c1
FC(F)(F)COc1cc(C[NH2+]Cc2cccc3c2OCCO3)ccn1 FC(F)(F)CO[*:1] c1cc(C[NH2+]Cc2ccnc(c2)[*:1])c2OCCOc2c1
CCn1c(=O)n(CC(=O)Nc2ccccc2CC(=O)N(C)C)c2ccccc21 CN(C)C(=O)C[*:1] CCn1c(=O)n(CC(=O)Nc2ccccc2[*:1])c2ccccc21
CCn1c(=O)n(CC(=O)Nc2ccccc2CC(=O)N(C)C)c2ccccc21 CN(C)C(=O)[*:1] CCn1c(=O)n(CC(=O)Nc2ccccc2C[*:1])c2ccccc21
NS(=O)(=O)c1ccc(CCNC(=O)C#Cc2ccccc2)cc1 NS(=O)(=O)[*:1] O=C(C#Cc1ccccc1)NCCc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)C#Cc2ccccc2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)C#C[*:1]
CCc1n[nH]c(S[C@@H](C(=O)N2C[C@@H](C)C[C@H](C)C2)C(C)C)n1 CCc1n[nH]c(n1)[*:1] CC(C)[C@@H](S[*:1])C(=O)N1C[C@@H](C)C[C@H](C)C1
CCc1n[nH]c(S[C@@H](C(=O)N2C[C@@H](C)C[C@H](C)C2)C(C)C)n1 CC(C)[*:1] CCc1n[nH]c(n1)S[C@@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)[*:1]
CC(C)[C@@](C)(O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)[C@@](C)(O)CNc1ccc(cc1[*:1])S(=O)(=O)N1CCCCCC1
CC(C)[C@@](C)(O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] CC(C)[*:1] C[C@@](O)(CNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCCCCC1)[*:1]
O[C@@H](Cc1ccncc1)Cc1nc2ccccc2s1 c1cc(ccn1)[*:1] O[C@H](Cc1nc2ccccc2s1)C[*:1]
Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](C)C(=O)N2c2ccc(C(C)C)cc2)c1 Cc1cccc(c1)[*:1] CC(C)c1ccc(cc1)N1C(=O)[C@H](C)S/C1=C(/C#N)C(=O)N[*:1]
Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](C)C(=O)N2c2ccc(C(C)C)cc2)c1 CC(C)c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)/C(C#N)=C1\S[C@@H](C)C(=O)N1[*:1]
Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](C)C(=O)N2c2ccc(C(C)C)cc2)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)/C(C#N)=C1\S[C@@H](C)C(=O)N1c1ccc(cc1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)C1 CC(=O)N[*:1] C[C@@H](NC(=O)N1CCC[C@H](C1)[*:1])c1ccc(cc1)C(F)(F)F
CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)C1 FC(F)(F)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1nc(C)c(CC(=O)NCc2ccccc2Cn2cncn2)c(=O)[nH]1 c1ncn(n1)[*:1] Cc1nc(C)c(CC(=O)NCc2ccccc2C[*:1])c(=O)[nH]1
Cc1nc(C)c(CC(=O)NCc2ccccc2Cn2cncn2)c(=O)[nH]1 c1ncn(C[*:1])n1 Cc1nc(C)c(CC(=O)NCc2ccccc2[*:1])c(=O)[nH]1
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)[*:1]
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)Oc1cccc(F)c1 Cc1nn(C)c(C)c1[*:1] C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1[*:1]
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)O[*:1]
CCOc1ccc(C(=O)CCC(=O)Nc2cccc(C)n2)cc1 CCO[*:1] Cc1cccc(n1)NC(=O)CCC(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)CCC(=O)Nc2cccc(C)n2)cc1 Cc1cccc(n1)[*:1] CCOc1ccc(cc1)C(=O)CCC(=O)N[*:1]
O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC(n2cccc2)CC1 c1ccn(c1)[*:1] O=C(c1ccc(o1)-c1cccc(c1)C(F)(F)F)N1CCC(CC1)[*:1]
O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC(n2cccc2)CC1 FC(F)(F)[*:1] O=C(c1ccc(o1)-c1cccc(c1)[*:1])N1CCC(CC1)n1cccc1
Cc1nc(NCc2ccccc2F)sc1C(=O)[O-] O=C([O-])[*:1] Cc1nc(NCc2ccccc2F)sc1[*:1]
CNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 CC(C)[*:1] CNC(=O)N1CC[NH+](CC1)C1CCC(CC1)[*:1]
Cc1nc2ncnn2c(Sc2ccc(NC(=O)Cc3cccs3)cc2)c1C c1csc(c1)C[*:1] Cc1nc2ncnn2c(Sc2ccc(cc2)NC(=O)[*:1])c1C
Cc1nc2ncnn2c(Sc2ccc(NC(=O)Cc3cccs3)cc2)c1C O=C(Cc1cccs1)N[*:1] Cc1nc2ncnn2c(Sc2ccc(cc2)[*:1])c1C
Cc1nc2ncnn2c(Sc2ccc(NC(=O)Cc3cccs3)cc2)c1C c1csc(c1)[*:1] Cc1nc2ncnn2c(Sc2ccc(cc2)NC(=O)C[*:1])c1C
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccc(S(C)(=O)=O)cc2)N(C)C1=S Cc1cc(Cl)ccc1[*:1] CN1C(=S)N(C(=O)/C1=C\c1ccc(cc1)S(C)(=O)=O)[*:1]
Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccc(S(C)(=O)=O)cc2)N(C)C1=S CS(=O)(=O)[*:1] Cc1cc(Cl)ccc1N1C(=O)/C(=C\c2ccc(cc2)[*:1])N(C)C1=S
Cc1nc(C)c([C@H](C)N(C)C(=O)NCC(C)(C)C[C@@H](C)O)s1 C[C@@H](O)C[*:1] Cc1nc(C)c(s1)[C@H](C)N(C)C(=O)NCC(C)(C)[*:1]
Cc1nc(C)c([C@H](C)N(C)C(=O)NCC(C)(C)C[C@@H](C)O)s1 C[C@@H](O)CC(C)(C)[*:1] Cc1nc(C)c(s1)[C@H](C)N(C)C(=O)NC[*:1]
Cc1nc(C)c([C@H](C)N(C)C(=O)NCC(C)(C)C[C@@H](C)O)s1 Cc1nc(C)c(s1)[*:1] C[C@H](N(C)C(=O)NCC(C)(C)C[C@@H](C)O)[*:1]
Cc1nc(C)c([C@H](C)N(C)C(=O)NCC(C)(C)C[C@@H](C)O)s1 C[C@@H](O)[*:1] Cc1nc(C)c(s1)[C@H](C)N(C)C(=O)NCC(C)(C)C[*:1]
Cc1cc2c(cc1C)[C@H](N[C@H](C(=O)N1CCCC1)C(C)C)CCO2 O=C(N1CCCC1)[*:1] Cc1cc2OCC[C@@H](N[C@H](C(C)C)[*:1])c2cc1C
Cc1cc2c(cc1C)[C@H](N[C@H](C(=O)N1CCCC1)C(C)C)CCO2 CC(C)[*:1] Cc1cc2OCC[C@@H](N[C@H](C(=O)N3CCCC3)[*:1])c2cc1C
CCc1n[n-]c(S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)CC)n1 CC[C@H](C)[*:1] CCc1n[n-]c(n1)S(=O)(=O)[C@@H](C)C(=O)N[*:1]
CCOc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=S)N32)cc1OC Brc1ccc(cc1)[*:1] CCOc1ccc(cc1OC)[C@@H]1SC[C@@H]2C(=O)N(C(=S)N21)[*:1]
CCOc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=S)N32)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1SC[C@@H]2C(=O)N(C(=S)N21)c1ccc(Br)cc1
NC(=O)c1cccc(CNC(=O)COc2ccc(F)cc2Cl)c1 NC(=O)[*:1] O=C(COc1ccc(F)cc1Cl)NCc1cccc(c1)[*:1]
Cc1ccc(OCc2nc3cc(Cl)ccc3n2C[C@@H](C)O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](O)Cn1c(CO[*:1])nc2cc(Cl)ccc21
Cc1ccc(OCc2nc3cc(Cl)ccc3n2C[C@@H](C)O)cc1 C[C@@H](O)C[*:1] Cc1ccc(cc1)OCc1nc2cc(Cl)ccc2n1[*:1]
O=C(C[S@](=O)C/C=C/c1ccccc1)NNC(=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(C[S@](=O)CC=C[*:1])NNC(=O)c1ccc(F)cc1
O=C(C[S@](=O)C/C=C/c1ccccc1)NNC(=O)c1ccc(F)cc1 C(=C[*:1])c1ccccc1 O=C(C[S@](=O)C[*:1])NNC(=O)c1ccc(F)cc1
O=C(C[S@](=O)C/C=C/c1ccccc1)NNC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[S@](=O)C/C=C/c1ccccc1)NNC(=O)[*:1]
Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)n[nH]c1=O Cn1c(n[nH]c1=O)[*:1] CC(C)(C)c1ccccc1NC(=O)CS[*:1]
Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)n[nH]c1=O CC(C)(C)[*:1] Cn1c(n[nH]c1=O)SCC(=O)Nc1ccccc1[*:1]
COc1ccc(Cl)cc1C(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1 COc1ccc(Cl)cc1[*:1] O=C(NCc1cc(on1)-c1ccc2OCOc2c1)[*:1]
COc1ccc(Cl)cc1C(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1 c1cc2OCOc2cc1[*:1] COc1ccc(Cl)cc1C(=O)NCc1cc(on1)[*:1]
Cn1cc(C#N)cc1C(=O)NCCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cn1cc(C#N)cc1C(=O)NCCc1ccc(cc1)[*:1]
CCC1(CNC(=O)Nc2cccc(S(=O)(=O)CC)c2)CC1 CCS(=O)(=O)[*:1] CCC1(CC1)CNC(=O)Nc1cccc(c1)[*:1]
CCC1(CNC(=O)Nc2cccc(S(=O)(=O)CC)c2)CC1 CCC1(CC1)C[*:1] CCS(=O)(=O)c1cccc(c1)NC(=O)N[*:1]
CCC1(CNC(=O)Nc2cccc(S(=O)(=O)CC)c2)CC1 CCC1(CC1)[*:1] CCS(=O)(=O)c1cccc(c1)NC(=O)NC[*:1]
C#CCN(CC(=O)[O-])C(=O)CCc1ccc(Cl)cc1Cl O=C([O-])[*:1] C#CCN(C[*:1])C(=O)CCc1ccc(Cl)cc1Cl
C#CCN(CC(=O)[O-])C(=O)CCc1ccc(Cl)cc1Cl O=C([O-])C[*:1] C#CCN(C(=O)CCc1ccc(Cl)cc1Cl)[*:1]
C#CCN(CC(=O)[O-])C(=O)CCc1ccc(Cl)cc1Cl C#CC[*:1] O=C([O-])CN(C(=O)CCc1ccc(Cl)cc1Cl)[*:1]
CC(=O)N1CCC(CCC(=O)NCc2nccn2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CCC(=O)NCc2nccn2C[*:1])CC1
CC(=O)N1CCC(CCC(=O)NCc2nccn2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(=O)N1CCC(CCC(=O)NCc2nccn2[*:1])CC1
CC(=O)N1CCC(CCC(=O)NCc2nccn2Cc2ccccc2)CC1 CC(=O)N1CCC(CC1)[*:1] O=C(CC[*:1])NCc1nccn1Cc1ccccc1
Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)c3ccn(C)n3)cc2)n1 Cn1ccc(n1)C(=O)N[*:1] Cc1ncc(C(=O)N(C)C)c(n1)-c1ccc(cc1)C[*:1]
Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)c3ccn(C)n3)cc2)n1 CN(C)C(=O)[*:1] Cc1ncc(c(n1)-c1ccc(cc1)CNC(=O)c1ccn(C)n1)[*:1]
Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)c3ccn(C)n3)cc2)n1 Cn1ccc(n1)[*:1] Cc1ncc(C(=O)N(C)C)c(n1)-c1ccc(cc1)CNC(=O)[*:1]
O=[N+]([O-])c1ccc(CSc2nc3cc(Cl)ccc3o2)cc1 O=[N+]([O-])[*:1] Clc1ccc2oc(nc2c1)SCc1ccc(cc1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)CNc2cc(Cl)ccc2F)C1 NC(=O)[*:1] O=C(CNc1cc(Cl)ccc1F)N1CCC[C@@H](C1)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 Clc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cn1
C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 Clc1ccccc1O[*:1] C[C@@H](C(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cn1)[*:1]
C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(CC1)C(=O)N[*:1]
CC[NH2+][C@H](C)c1ccn(Cc2ccc(C(C)(C)C)cc2)c1 CC(C)(C)[*:1] CC[NH2+][C@H](C)c1ccn(c1)Cc1ccc(cc1)[*:1]
CN(C)/C=C1/C(=O)N=c2ccccc2=C1[O-] CN(C)[*:1] O=C1N=c2ccccc2=C([O-])C1=C[*:1]
CN(C)c1[nH+]cc(CNC(=O)Nc2ccccc2)n1C CN(C)[*:1] Cn1c(c[nH+]c1[*:1])CNC(=O)Nc1ccccc1
CN(C)c1[nH+]cc(CNC(=O)Nc2ccccc2)n1C c1ccc(cc1)[*:1] CN(C)c1[nH+]cc(CNC(=O)N[*:1])n1C
COC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)c2cc(C)sc2C)c1 Cc1cc(c(C)s1)[*:1] COC(=O)c1cccc(c1)NC(=O)C(=O)N[C@H](C)[*:1]
COC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)c2cc(C)sc2C)c1 COC(=O)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1cncc(NC(=O)NCc2ccccc2OCC(F)(F)F)c1 FC(F)(F)C[*:1] Cc1cncc(c1)NC(=O)NCc1ccccc1O[*:1]
Cc1cncc(NC(=O)NCc2ccccc2OCC(F)(F)F)c1 FC(F)(F)[*:1] Cc1cncc(c1)NC(=O)NCc1ccccc1OC[*:1]
Cc1cncc(NC(=O)NCc2ccccc2OCC(F)(F)F)c1 FC(F)(F)CO[*:1] Cc1cncc(c1)NC(=O)NCc1ccccc1[*:1]
Cc1cncc(NC(=O)NCc2ccccc2OCC(F)(F)F)c1 Cc1cncc(c1)[*:1] O=C(NCc1ccccc1OCC(F)(F)F)N[*:1]
c1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCCOC1)S2 C1COC[C@H](C1)[*:1] c1ccc2S[C@@H](C[NH2+]C[*:1])Cc2c1
NC(=O)COc1ccccc1C(=O)N(Cc1cccc(F)c1)C1CC1 Fc1cccc(c1)[*:1] NC(=O)COc1ccccc1C(=O)N(C[*:1])C1CC1
NC(=O)COc1ccccc1C(=O)N(Cc1cccc(F)c1)C1CC1 NC(=O)[*:1] O=C(c1ccccc1OC[*:1])N(Cc1cccc(F)c1)C1CC1
NC(=O)COc1ccccc1C(=O)N(Cc1cccc(F)c1)C1CC1 NC(=O)C[*:1] O=C(c1ccccc1O[*:1])N(Cc1cccc(F)c1)C1CC1
NC(=O)COc1ccccc1C(=O)N(Cc1cccc(F)c1)C1CC1 Fc1cccc(c1)C[*:1] NC(=O)COc1ccccc1C(=O)N(C1CC1)[*:1]
NC(=O)COc1ccccc1C(=O)N(Cc1cccc(F)c1)C1CC1 NC(=O)CO[*:1] O=C(c1ccccc1[*:1])N(Cc1cccc(F)c1)C1CC1
NC(=O)COc1ccccc1C(=O)N(Cc1cccc(F)c1)C1CC1 C1CC1[*:1] NC(=O)COc1ccccc1C(=O)N(Cc1cccc(F)c1)[*:1]
O=[N+]([O-])c1cccnc1N[C@H]1c2ccccc2C[C@H]1O O=[N+]([O-])[*:1] O[C@@H]1Cc2ccccc2[C@@H]1Nc1ncccc1[*:1]
COC(=O)c1ccccc1N(C)C(=O)[C@@]12CC[C@@H](CC1=O)C2(C)C COC(=O)[*:1] CN(C(=O)[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccccc1[*:1]
CC(=O)N1CCC(CCC(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 CS(=O)(=O)[*:1] CC(=O)N1CCC(CCC(=O)N(C)[C@H]2CCCC[C@@H]2[*:1])CC1
O=C(NCc1nc2ccccc2[nH]1)C1CN(C(=O)c2c[nH]c3ccccc23)C1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCc1nc2ccccc2[nH]1)C1CN(C1)C(=O)[*:1]
O=C(NCc1nc2ccccc2[nH]1)C1CN(C(=O)c2c[nH]c3ccccc23)C1 c1ccc2[nH]c(nc2c1)[*:1] O=C(NC[*:1])C1CN(C1)C(=O)c1c[nH]c2ccccc12
O=C(CSc1cccc[n+]1[O-])N[C@@H](c1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1cccc[n+]1[O-])N[C@@H](c1ccccc1)[*:1]
O=C(CSc1cccc[n+]1[O-])N[C@@H](c1ccccc1)C1CCCCC1 [O-][n+]1ccccc1S[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)C1CCCCC1
O=C(CSc1cccc[n+]1[O-])N[C@@H](c1ccccc1)C1CCCCC1 [O-][n+]1ccccc1[*:1] O=C(CS[*:1])N[C@@H](c1ccccc1)C1CCCCC1
O=C(CSc1cccc[n+]1[O-])N[C@@H](c1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] O=C(CSc1cccc[n+]1[O-])N[C@@H](C1CCCCC1)[*:1]
c1ccc2sc(N3CCC[C@@H]([NH2+]Cc4ncc[nH]4)C3)nc2c1 c1c[nH]c(n1)[*:1] c1ccc2sc(nc2c1)N1CCC[C@H](C1)[NH2+]C[*:1]
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CC(=O)NCc1cccs1 Fc1ccc(cc1)[*:1] Cc1nc2c(c(C)nn2c(C)c1CC(=O)NCc1cccs1)[*:1]
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CC(=O)NCc1cccs1 c1csc(c1)C[*:1] Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CC(=O)N[*:1]
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CC(=O)NCc1cccs1 O=C(NCc1cccs1)[*:1] Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1C[*:1]
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CC(=O)NCc1cccs1 c1csc(c1)[*:1] Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CC(=O)NC[*:1]
CCn1ncnc1[C@@H](C)NC(=O)CCc1cc2n(n1)CC[NH2+]C2 CCn1ncnc1[*:1] C[C@@H](NC(=O)CCc1cc2C[NH2+]CCn2n1)[*:1]
O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1ccc(cc1)[*:1]
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)[O-])o1 COC(=O)[*:1] N#C/C(=C\c1ccc(o1)-c1ccccc1[*:1])C(=O)[O-]
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)[O-])o1 O=C([O-])[*:1] COC(=O)c1ccccc1-c1ccc(C=C(C#N)[*:1])o1
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)[O-])o1 N#CC(=C[*:1])C(=O)[O-] COC(=O)c1ccccc1-c1ccc(o1)[*:1]
CCSc1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 CCSc1nnc(s1)[*:1] O=C(CS[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
CCSc1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 FC(F)(F)[*:1] CCSc1nnc(SCC(=O)Nc2ccc(Cl)c(c2)[*:1])s1
CCSc1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 CCS[*:1] O=C(CSc1nnc(s1)[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc(C#N)cs3)cc2)CC1 N#Cc1csc(c1)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
COCc1nc2cc(NC(=O)Cn3cnnn3)ccc2o1 COC[*:1] O=C(Cn1cnnn1)Nc1ccc2oc(nc2c1)[*:1]
COCc1nc2cc(NC(=O)Cn3cnnn3)ccc2o1 c1nnnn1C[*:1] COCc1nc2cc(ccc2o1)NC(=O)[*:1]
COCc1nc2cc(NC(=O)Cn3cnnn3)ccc2o1 c1nnnn1[*:1] COCc1nc2cc(ccc2o1)NC(=O)C[*:1]
COc1ccc2cc(-c3cc(C(=O)N(C4CC4)[C@@H]4CCS(=O)(=O)C4)c4ccccc4n3)ccc2c1 C1CC1[*:1] COc1ccc2cc(ccc2c1)-c1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)[*:1])c2ccccc2n1
COCCCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 COCCC[*:1] CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[*:1]
COCCCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 COC[*:1] CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CC[*:1]
COCCCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 COCC[*:1] CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[*:1]
FC(F)COc1ncccc1C[NH2+][C@@H]1CCc2cc3c(cc21)OCCO3 FC(F)C[*:1] c1cnc(O[*:1])c(c1)C[NH2+][C@@H]1CCc2cc3OCCOc3cc21
FC(F)COc1ncccc1C[NH2+][C@@H]1CCc2cc3c(cc21)OCCO3 FC(F)[*:1] c1cnc(OC[*:1])c(c1)C[NH2+][C@@H]1CCc2cc3OCCOc3cc21
FC(F)COc1ncccc1C[NH2+][C@@H]1CCc2cc3c(cc21)OCCO3 FC(F)CO[*:1] c1cnc(c(c1)C[NH2+][C@@H]1CCc2cc3OCCOc3cc21)[*:1]
OCc1ccccc1O[C@H]1CC[C@@](CO)([NH2+]C2CC2)C1 C1CC1[*:1] OCc1ccccc1O[C@H]1CC[C@](CO)(C1)[NH2+][*:1]
CCC[C@H](NS(=O)(=O)c1cc(C)c(C)s1)c1nnc2ccccn12 Cc1cc(sc1C)[*:1] CCC[C@H](NS(=O)(=O)[*:1])c1nnc2ccccn12
CCC[C@H](NS(=O)(=O)c1cc(C)c(C)s1)c1nnc2ccccn12 CCC[*:1] Cc1cc(sc1C)S(=O)(=O)N[C@H](c1nnc2ccccn12)[*:1]
NC(=O)c1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(F)cc1F NC(=O)[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cc(c(F)cc1F)[*:1]
CO[C@@]1(C)C[C@@H](NC(=O)CSCc2ccncc2)C1(C)C c1cc(ccn1)C[*:1] CO[C@@]1(C)C[C@@H](NC(=O)CS[*:1])C1(C)C
CO[C@@]1(C)C[C@@H](NC(=O)CSCc2ccncc2)C1(C)C c1cc(ccn1)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)CSC[*:1])C1(C)C
COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)CC(=O)N(C)C)C2 CN(C)C(=O)C[*:1] COc1ccc2C[C@@H](COc2c1)[NH2+][C@H](C)[*:1]
COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)CC(=O)N(C)C)C2 CN(C)C(=O)[*:1] COc1ccc2C[C@@H](COc2c1)[NH2+][C@H](C)C[*:1]
CCOC(=O)C1(C)CC[NH+](Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)CC1 CCOC(=O)[*:1] Cn1c(=O)c2[nH]c(C[NH+]3CCC(C)(CC3)[*:1])nc2n(C)c1=O
Fc1cc(C[NH+]2CCCN(c3nccs3)CC2)ccc1Cl c1csc(n1)[*:1] Fc1cc(ccc1Cl)C[NH+]1CCCN(CC1)[*:1]
Cc1ccc([C@H]2NC(=S)N3[C@H](c4ccc(C)cc4)NC(=S)N23)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1NC(=S)N2[C@H](NC(=S)N12)[*:1]
C[C@@H](O)[C@@H]1CCCN(c2nc3ccccc3nc2N2CCOCC2)C1 C[C@@H](O)[*:1] c1ccc2nc(c(nc2c1)N1CCOCC1)N1CCC[C@H](C1)[*:1]
C[C@@H](O)[C@@H]1CCCN(c2nc3ccccc3nc2N2CCOCC2)C1 C1CN(CCO1)[*:1] C[C@@H](O)[C@@H]1CCCN(C1)c1nc2ccccc2nc1[*:1]
Cc1ccccc1C(=O)NC(=S)Nc1cc(Cl)ccc1O Cc1ccccc1[*:1] O=C(NC(=S)Nc1cc(Cl)ccc1O)[*:1]
COc1cc(NC(=O)CNc2cc(Cl)ccc2Cl)c(OC)cc1Cl Clc1ccc(Cl)c(c1)[*:1] COc1cc(NC(=O)CN[*:1])c(cc1Cl)OC
C[C@@H](Cc1cccs1)N(C)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 C[C@@H](Cc1cccs1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(C)(C)CNC(=O)N(C)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1
Cc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)cc1I O=[N+]([O-])[*:1] Cc1cc(c(C)cc1I)N1C(=O)c2cccc(c2C1=O)[*:1]
CC(=O)Nc1nc(CSc2nc3ccccc3[nH]2)cs1 CC(=O)N[*:1] c1ccc2[nH]c(nc2c1)SCc1csc(n1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(NC(=O)Nc2nnc(N3CCC[C@@H](C)C3)s2)ccc1Br C[C@@H]1CCCN(C1)[*:1] Cc1cc(ccc1Br)NC(=O)Nc1nnc(s1)[*:1]
Cc1cc(NC(=O)Nc2nnc(N3CCC[C@@H](C)C3)s2)ccc1Br Cc1cc(ccc1Br)[*:1] C[C@@H]1CCCN(C1)c1nnc(NC(=O)N[*:1])s1
COc1ccc(-n2nc(N3CCN(C(=O)c4ccccc4Br)CC3)ccc2=O)cc1 Brc1ccccc1[*:1] COc1ccc(cc1)-n1nc(ccc1=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(-n2nc(N3CCN(C(=O)c4ccccc4Br)CC3)ccc2=O)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccc1Br)N1CCN(CC1)c1ccc(=O)n(n1)[*:1]
CCCCCN(C(=O)Cn1cnc2sc(C)cc2c1=O)C(C)C CCCC[*:1] Cc1cc2c(=O)n(cnc2s1)CC(=O)N(C[*:1])C(C)C
CCCCCN(C(=O)Cn1cnc2sc(C)cc2c1=O)C(C)C CCC[*:1] Cc1cc2c(=O)n(cnc2s1)CC(=O)N(CC[*:1])C(C)C
CCCCCN(C(=O)Cn1cnc2sc(C)cc2c1=O)C(C)C CC(C)[*:1] CCCCCN(C(=O)Cn1cnc2sc(C)cc2c1=O)[*:1]
CCCCCN(C(=O)Cn1cnc2sc(C)cc2c1=O)C(C)C CCCCC[*:1] Cc1cc2c(=O)n(cnc2s1)CC(=O)N(C(C)C)[*:1]
C[C@@](O)(CO)C[NH2+]Cc1ccccc1C1CC1 C1CC1[*:1] C[C@@](O)(CO)C[NH2+]Cc1ccccc1[*:1]
CSC1=N/C(=N\C(=O)CSc2nncn2-c2ccccc2)[C@@H](C#N)C2(CCCCC2)[C@@H]1C#N c1ccc(cc1)-n1cnnc1[*:1] CSC1=N/C(=N\C(=O)CS[*:1])[C@@H](C#N)C2(CCCCC2)[C@@H]1C#N
CSC1=N/C(=N\C(=O)CSc2nncn2-c2ccccc2)[C@@H](C#N)C2(CCCCC2)[C@@H]1C#N c1ccc(cc1)[*:1] CSC1=N/C(=N\C(=O)CSc2nncn2[*:1])[C@@H](C#N)C2(CCCCC2)[C@@H]1C#N
C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(Br)cc1 CS(=O)(=O)C[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(Br)cc1
C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(Br)cc1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C[*:1])c1ccc(Br)cc1
C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)CS(C)(=O)=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3ncn(C)c3c2)C1 Cc1noc(C)c1[*:1] Cn1cnc2ccc(cc21)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CCN(Cc1ccccc1)C3 c1ccc(cc1)C[*:1] Cc1nc2sc3CN(CCc3c2c2nc(nn12)-c1ccco1)[*:1]
Cc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CCN(Cc1ccccc1)C3 c1coc(c1)[*:1] Cc1nc2sc3CN(CCc3c2c2nc(nn12)[*:1])Cc1ccccc1
Cc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CCN(Cc1ccccc1)C3 c1ccc(cc1)[*:1] Cc1nc2sc3CN(CCc3c2c2nc(nn12)-c1ccco1)C[*:1]
CCC[C@@H]1C[C@@]1(O)[C@@H]1CCOC1 CCC[*:1] O[C@]1(C[C@H]1[*:1])[C@@H]1CCOC1
COc1ccc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)nn1 CC(C)[*:1] COc1ccc(nn1)C(=O)N1C[C@@H](Nc2ccccc21)[*:1]
O=C(Cc1c(F)cccc1F)OCc1ccccn1 c1ccc(nc1)[*:1] O=C(Cc1c(F)cccc1F)OC[*:1]
CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2nn(C)cc2Cl)c(C)n1 CCn1cc(c(C)n1)[*:1] Cn1cc(Cl)c(n1)[C@H]1CCCCCN1S(=O)(=O)[*:1]
CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2nn(C)cc2Cl)c(C)n1 Cn1cc(Cl)c(n1)[*:1] CCn1cc(c(C)n1)S(=O)(=O)N1CCCCC[C@H]1[*:1]
COc1cc(C)c(/C=N/NC(=O)c2ccc(N(C)C)cc2)cc1C(C)C CN(C)[*:1] COc1cc(C)c(/C=N/NC(=O)c2ccc(cc2)[*:1])cc1C(C)C
COc1cc(C)c(/C=N/NC(=O)c2ccc(N(C)C)cc2)cc1C(C)C CC(C)[*:1] COc1cc(C)c(/C=N/NC(=O)c2ccc(cc2)N(C)C)cc1[*:1]
COC(=O)C1=C(N)SC(N)=C(C#N)[C@H]1c1ccc(F)cc1 COC(=O)[*:1] N#CC1=C(N)SC(N)=C([C@@H]1c1ccc(F)cc1)[*:1]
COC(=O)C1=C(N)SC(N)=C(C#N)[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)C1=C(N)SC(N)=C(C#N)[C@@H]1[*:1]
CC(C)NC(=O)[C@@H]1CC(=O)N(CCC2=c3cc(F)ccc3=[NH+]C2)C1 CC(C)NC(=O)[*:1] O=C1C[C@H](CN1CCC1C[NH+]=c2ccc(F)cc2=1)[*:1]
CC(C)NC(=O)[C@@H]1CC(=O)N(CCC2=c3cc(F)ccc3=[NH+]C2)C1 CC(C)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CCC2C[NH+]=c3ccc(F)cc3=2)C1
NC(=O)c1cccc(/N=C\c2ccc3c(c2)OCO3)c1 NC(=O)[*:1] C(=N\c1cccc(c1)[*:1])\c1ccc2OCOc2c1
Clc1ccc(N2CCC([NH2+]CCC3CC3)CC2)cc1 C1CC1CC[*:1] Clc1ccc(cc1)N1CCC(CC1)[NH2+][*:1]
Clc1ccc(N2CCC([NH2+]CCC3CC3)CC2)cc1 C1CC1[*:1] Clc1ccc(cc1)N1CCC(CC1)[NH2+]CC[*:1]
Clc1ccc(N2CCC([NH2+]CCC3CC3)CC2)cc1 C1CC1C[*:1] Clc1ccc(cc1)N1CCC(CC1)[NH2+]C[*:1]
CCC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCC(=O)N(C)C[C@H](O)COc1ccc(cc1)[*:1]
CCC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 CCC(=O)N(C)[*:1] O[C@H](COc1ccc(cc1)C(F)(F)F)C[*:1]
CCC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 CCC(=O)N(C)C[*:1] O[C@H](COc1ccc(cc1)C(F)(F)F)[*:1]
CCOC(=O)CNC(=O)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 CCOC(=O)C[*:1] O=C(Nc1cc(F)c2nc(ccc2c1)N1CCCCC1)N[*:1]
CCOC(=O)CNC(=O)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 CCOC(=O)[*:1] O=C(NC[*:1])Nc1cc(F)c2nc(ccc2c1)N1CCCCC1
CCOC(=O)CNC(=O)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 C1CCN(CC1)[*:1] CCOC(=O)CNC(=O)Nc1cc(F)c2nc(ccc2c1)[*:1]
COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 COc1ccc(Cl)cc1[*:1] O=C(N1CCN(CC1)c1cc(ncn1)-n1cccn1)[*:1]
COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 c1cnn(c1)[*:1] COc1ccc(Cl)cc1C(=O)N1CCN(CC1)c1cc(ncn1)[*:1]
CS(=O)(=O)c1cccc(C(=O)Oc2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Oc1ccccc1[*:1]
CS(=O)(=O)c1cccc(C(=O)Oc2ccccc2C(F)(F)F)c1 CS(=O)(=O)[*:1] O=C(Oc1ccccc1C(F)(F)F)c1cccc(c1)[*:1]
CCc1cccc(NC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 CCc1cccc(c1)[*:1] Cc1cc(nc2c1c(=O)n(C)c(=O)n2C)C(=O)N[*:1]
COc1ccc(CN2CCN(c3c(-c4cc(C)c(C)cc4C)c(=O)c3=O)CC2)c(OC)c1OC Cc1cc(C)c(cc1C)[*:1] COc1ccc(CN2CCN(CC2)c2c(c(=O)c2=O)[*:1])c(OC)c1OC
O=[N+]([O-])c1ccc(SCCO)cc1N1CCCC1 C1CCN(C1)[*:1] O=[N+]([O-])c1ccc(cc1[*:1])SCCO
O=[N+]([O-])c1ccc(SCCO)cc1N1CCCC1 O=[N+]([O-])[*:1] OCCSc1ccc(c(c1)N1CCCC1)[*:1]
O=[N+]([O-])c1ccc(SCCO)cc1N1CCCC1 OCCS[*:1] O=[N+]([O-])c1ccc(cc1N1CCCC1)[*:1]
O=[N+]([O-])c1ccc(SCCO)cc1N1CCCC1 OCC[*:1] O=[N+]([O-])c1ccc(cc1N1CCCC1)S[*:1]
Cc1nnsc1C(=O)N1CCC(CNC(=O)CCSc2ccccc2)CC1 c1ccc(cc1)SC[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)C[*:1]
Cc1nnsc1C(=O)N1CCC(CNC(=O)CCSc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)CCS[*:1]
Cc1nnsc1C(=O)N1CCC(CNC(=O)CCSc2ccccc2)CC1 Cc1nnsc1[*:1] O=C(CCSc1ccccc1)NCC1CCN(CC1)C(=O)[*:1]
Cc1nnsc1C(=O)N1CCC(CNC(=O)CCSc2ccccc2)CC1 c1ccc(cc1)SCC[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)[*:1]
Cc1nnsc1C(=O)N1CCC(CNC(=O)CCSc2ccccc2)CC1 c1ccc(cc1)S[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)CC[*:1]
O=C(CN1CCN(c2cccc[nH+]2)CC1)NCCN1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] O=C(CN1CCN(CC1)c1cccc[nH+]1)NCC[*:1]
CC(C)c1csc(CCNC(=O)C(C)(C)C)n1 CC(C)(C)[*:1] CC(C)c1csc(CCNC(=O)[*:1])n1
CC(C)c1csc(CCNC(=O)C(C)(C)C)n1 CC(C)[*:1] CC(C)(C)C(=O)NCCc1nc(cs1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccccc2)C1 CCNS(=O)(=O)[*:1] O=C(CCc1ccccc1)N1CC[C@H](C1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)CC[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)C[*:1]
COc1ccc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)cc1F C1CCC(C1)[*:1] COc1ccc(cc1F)C[NH2+]Cc1ccnc(c1)O[*:1]
COc1ccc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)cc1F C1CCC(C1)O[*:1] COc1ccc(cc1F)C[NH2+]Cc1ccnc(c1)[*:1]
O=C(NCCn1cccc1)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCn1cccc1)N1CC[C@@H](C1)N[*:1]
O=C(NCCn1cccc1)N1CC[C@H](Nc2ccccc2)C1 c1ccn(c1)[*:1] O=C(NCC[*:1])N1CC[C@@H](C1)Nc1ccccc1
O=C(NCCn1cccc1)N1CC[C@H](Nc2ccccc2)C1 c1ccn(c1)C[*:1] O=C(NC[*:1])N1CC[C@@H](C1)Nc1ccccc1
O=C(NCCn1cccc1)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=C(NCCn1cccc1)N1CC[C@H](C1)[*:1]
O=C(NCCn1cccc1)N1CC[C@H](Nc2ccccc2)C1 c1ccn(c1)CC[*:1] O=C(N[*:1])N1CC[C@@H](C1)Nc1ccccc1
CC(C)[C@@](C)(O)[C@@]1(C[NH3+])CC[C@@H](C)C1 CC(C)[*:1] C[C@@H]1CC[C@@](C[NH3+])(C1)[C@@](C)(O)[*:1]
CC(=O)N1CCN(C(=O)CCNc2ncc(C)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC(=O)N1CCN(CC1)C(=O)CCNc1ncc(C)cc1[*:1]
CC(C)(C)c1ccc(C(=O)N2CCOC23CCCCC3)cc1 CC(C)(C)[*:1] O=C(c1ccc(cc1)[*:1])N1CCOC12CCCCC2
COc1ccccc1-n1nnnc1SCC(=O)N1CC[C@@H](C)Sc2ccccc21 COc1ccccc1[*:1] C[C@@H]1CCN(C(=O)CSc2nnnn2[*:1])c2ccccc2S1
O=[N+]([O-])c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)s1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1)/N=C/c1ccc(s1)[*:1])N1CCc2ccccc21
O=[N+]([O-])c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)s1 O=[N+]([O-])c1ccc(s1)[*:1] O=S(=O)(c1ccc(cc1)N=C[*:1])N1CCc2ccccc21
Cc1ccc(C)c(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)c1 Cc1ccc(C)c(c1)[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[*:1])n2C
Cc1ccc(C)c(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)c1 CN(C)S(=O)(=O)[*:1] Cc1ccc(C)c(c1)NC(=O)CCc1nc2cc(ccc2n1C)[*:1]
Cc1noc(C)c1CCCNC(=O)CN1C(=O)c2ccccc2C1=O Cc1noc(C)c1C[*:1] O=C(CN1C(=O)c2ccccc2C1=O)NCC[*:1]
Cc1noc(C)c1CCCNC(=O)CN1C(=O)c2ccccc2C1=O Cc1noc(C)c1[*:1] O=C(CN1C(=O)c2ccccc2C1=O)NCCC[*:1]
Cc1ccc2c(c1)N(CC(=O)NCc1ccccc1)C=NS2(=O)=O c1ccc(cc1)C[*:1] Cc1ccc2c(c1)N(C=NS2(=O)=O)CC(=O)N[*:1]
Cc1ccc2c(c1)N(CC(=O)NCc1ccccc1)C=NS2(=O)=O c1ccc(cc1)[*:1] Cc1ccc2c(c1)N(C=NS2(=O)=O)CC(=O)NC[*:1]
O=C(CNC(=O)C(=O)Nc1cccnc1Cl)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)C(=O)Nc1cccnc1Cl)NC[*:1]
O=C(CNC(=O)C(=O)Nc1cccnc1Cl)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(CNC(=O)C(=O)Nc1cccnc1Cl)N[*:1]
O=C(CNC(=O)C(=O)Nc1cccnc1Cl)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)C(=O)Nc1cccnc1Cl)NCC[*:1]
O=C(CNC(=O)C(=O)Nc1cccnc1Cl)NCCc1ccccc1 Clc1ncccc1[*:1] O=C(CNC(=O)C(=O)N[*:1])NCCc1ccccc1
CC(C)(C)N/C(=N\O)c1ccccc1 CC(C)(C)[*:1] O/N=C(\N[*:1])c1ccccc1
Cc1ccc2c(c1)=[NH+][C@@H](c1ccccc1NC(=O)c1cccnc1)[NH+]=2 c1cncc(c1)[*:1] Cc1ccc2=[NH+][C@@H]([NH+]=c2c1)c1ccccc1NC(=O)[*:1]
CC(C)(C)c1csc(C[C@@]2(C(=O)[O-])C[C@H]3CC[C@@H]2C3)n1 O=C([O-])[*:1] CC(C)(C)c1csc(C[C@]2(C[C@H]3CC[C@@H]2C3)[*:1])n1
CC(C)(C)c1csc(C[C@@]2(C(=O)[O-])C[C@H]3CC[C@@H]2C3)n1 CC(C)(C)[*:1] O=C([O-])[C@]1(Cc2nc(cs2)[*:1])C[C@H]2CC[C@@H]1C2
C=C(C)COCC[NH2+][C@@H]1CCCc2nc(CC)sc21 C=C(C)C[*:1] CCc1nc2CCC[C@@H]([NH2+]CCO[*:1])c2s1
C=C(C)COCC[NH2+][C@@H]1CCCc2nc(CC)sc21 C=C(C)CO[*:1] CCc1nc2CCC[C@@H]([NH2+]CC[*:1])c2s1
C=C(C)COCC[NH2+][C@@H]1CCCc2nc(CC)sc21 C=C(C)COC[*:1] CCc1nc2CCC[C@@H]([NH2+]C[*:1])c2s1
C=C(C)COCC[NH2+][C@@H]1CCCc2nc(CC)sc21 C=C(C)[*:1] CCc1nc2CCC[C@@H]([NH2+]CCOC[*:1])c2s1
COc1ccc([C@H]2SCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])[C@H]1SCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
COc1ccc([C@H]2SCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] FC(F)(F)[*:1] COc1ccc(cc1[N+](=O)[O-])[C@H]1SCCN1S(=O)(=O)c1cccc(c1)[*:1]
NS(=O)(=O)c1ccsc1[C@H](O)c1ccccc1 NS(=O)(=O)[*:1] O[C@H](c1ccccc1)c1sccc1[*:1]
N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)NS(=O)(=O)c1ccc(Cl)cc1[*:1]
CN(CCOc1ccc(Cl)cc1)C(=O)CSc1nnc(N)s1 Clc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)CSc1nnc(N)s1
CN(CCOc1ccc(Cl)cc1)C(=O)CSc1nnc(N)s1 Nc1nnc(S[*:1])s1 CN(CCOc1ccc(Cl)cc1)C(=O)C[*:1]
CN(CCOc1ccc(Cl)cc1)C(=O)CSc1nnc(N)s1 Nc1nnc(s1)[*:1] CN(CCOc1ccc(Cl)cc1)C(=O)CS[*:1]
CC[C@@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(C)c(F)c1 O=[N+]([O-])[*:1] CC[C@@H](NC(=O)c1cc(ccc1[*:1])OC)c1ccc(C)c(F)c1
CC[C@@H](NC(=O)c1cc(OC)ccc1[N+](=O)[O-])c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)c1cc(ccc1[N+](=O)[O-])OC)[*:1]
CCCc1nc(C)c(C(=O)N[C@H](C)c2cccc(C#N)c2)s1 CCC[*:1] Cc1nc(sc1C(=O)N[C@H](C)c1cccc(C#N)c1)[*:1]
S=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccco1)Cc1cccs1 c1coc(c1)C[*:1] S=C(Nc1cc(Cl)ccc1Cl)N(Cc1cccs1)[*:1]
S=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccco1)Cc1cccs1 c1csc(c1)C[*:1] S=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccco1)[*:1]
S=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccco1)Cc1cccs1 c1csc(c1)[*:1] S=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccco1)C[*:1]
S=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccco1)Cc1cccs1 c1coc(c1)[*:1] S=C(Nc1cc(Cl)ccc1Cl)N(Cc1cccs1)C[*:1]
S=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccco1)Cc1cccs1 Clc1ccc(Cl)c(c1)[*:1] S=C(N[*:1])N(Cc1ccco1)Cc1cccs1
Cc1ccc(CN(C)C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)s1 Cc1ccc(C[*:1])s1 CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)N(C)[*:1]
Cc1ccc(CN(C)C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)s1 Cc1ccc(s1)[*:1] CC(C)n1cc(C#N)c(n1)NC(=O)C(=O)N(C)C[*:1]
Cc1ccc(CN(C)C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)s1 CC(C)[*:1] Cc1ccc(CN(C)C(=O)C(=O)Nc2nn(cc2C#N)[*:1])s1
NC(=O)CCn1c(-c2cccs2)nn(CN2CCOCC2)c1=S NC(=O)C[*:1] S=c1n(CN2CCOCC2)nc(-c2cccs2)n1C[*:1]
NC(=O)CCn1c(-c2cccs2)nn(CN2CCOCC2)c1=S NC(=O)CC[*:1] S=c1n(CN2CCOCC2)nc(-c2cccs2)n1[*:1]
NC(=O)CCn1c(-c2cccs2)nn(CN2CCOCC2)c1=S NC(=O)[*:1] S=c1n(CN2CCOCC2)nc(-c2cccs2)n1CC[*:1]
NC(=O)CCn1c(-c2cccs2)nn(CN2CCOCC2)c1=S C1CN(CCO1)[*:1] NC(=O)CCn1c(nn(C[*:1])c1=S)-c1cccs1
NC(=O)CCn1c(-c2cccs2)nn(CN2CCOCC2)c1=S C1CN(CCO1)C[*:1] NC(=O)CCn1c(nn(c1=S)[*:1])-c1cccs1
NC(=O)CCn1c(-c2cccs2)nn(CN2CCOCC2)c1=S c1csc(c1)[*:1] NC(=O)CCn1c(nn(CN2CCOCC2)c1=S)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)c1ccn2cncc2c1 OCC[*:1] C[C@H](N(Cc1ccccc1)C(=O)c1ccn2cncc2c1)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)c1ccn2cncc2c1 c1ccc(cc1)C[*:1] C[C@H](CCO)N(C(=O)c1ccn2cncc2c1)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)c1ccn2cncc2c1 c1ccc(cc1)[*:1] C[C@H](CCO)N(C[*:1])C(=O)c1ccn2cncc2c1
COc1ccc(OC)c(N2C(=O)[C@@H]3C4c5ccccc5C([C@H](C)O)(c5ccccc54)[C@@H]3C2=O)c1 COc1ccc(OC)c(c1)[*:1] C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C(=O)[C@H]12)[*:1]
NC(=O)Cc1csc(NC(=O)Cc2cc(F)ccc2F)n1 NC(=O)C[*:1] O=C(Cc1cc(F)ccc1F)Nc1nc(cs1)[*:1]
NC(=O)Cc1csc(NC(=O)Cc2cc(F)ccc2F)n1 NC(=O)[*:1] O=C(Cc1cc(F)ccc1F)Nc1nc(cs1)C[*:1]
COc1ccc2c(c1)CN(C(=O)Nc1cc(S(C)(=O)=O)ccc1F)CC2 CS(=O)(=O)[*:1] COc1ccc2CCN(Cc2c1)C(=O)Nc1cc(ccc1F)[*:1]
C[C@H](CO)CS[C@H](C)C(=O)c1ccc(F)cc1F C[C@H](CO)[*:1] C[C@@H](SC[*:1])C(=O)c1ccc(F)cc1F
C[C@H](CO)CS[C@H](C)C(=O)c1ccc(F)cc1F C[C@H](CO)C[*:1] C[C@@H](S[*:1])C(=O)c1ccc(F)cc1F
C[C@H](CO)CS[C@H](C)C(=O)c1ccc(F)cc1F C[C@H](CO)CS[*:1] C[C@H](C(=O)c1ccc(F)cc1F)[*:1]
Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(C)nc3)CC2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cn1)C(=O)N1CCN(CC1)C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(C)nc3)CC2)c1 Cc1ccc(cn1)[*:1] Cc1cccc(c1)NC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(CCC(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)CCC(=O)N[C@H](C)c1noc(n1)[*:1]
Cc1cccc(CCC(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CCC(=O)N[C@H](C)c1noc(C[*:1])n1
Cc1cccc(CCC(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)c1 Cc1cccc(c1)C[*:1] C[C@@H](NC(=O)C[*:1])c1noc(Cc2ccccc2)n1
Cc1cccc(CCC(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)CC[*:1])c1noc(Cc2ccccc2)n1
Cc1nc(S[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)sc1CC(N)=O NC(=O)[*:1] Cc1nc(S[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)sc1C[*:1]
Cc1nc(S[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)sc1CC(N)=O NC(=O)C[*:1] Cc1nc(S[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)sc1[*:1]
Cc1nn(CCCl)c(C)c1C(=O)NCc1cscn1 c1nc(cs1)C[*:1] Cc1nn(CCCl)c(C)c1C(=O)N[*:1]
Cc1nn(CCCl)c(C)c1C(=O)NCc1cscn1 ClCC[*:1] Cc1nn(c(C)c1C(=O)NCc1cscn1)[*:1]
Cc1nn(CCCl)c(C)c1C(=O)NCc1cscn1 c1nc(cs1)[*:1] Cc1nn(CCCl)c(C)c1C(=O)NC[*:1]
C[C@H]1CC[C@@](C(=O)[O-])(C2CCCCC2)C1 O=C([O-])[*:1] C[C@H]1CC[C@](C1)(C1CCCCC1)[*:1]
Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)N3CCC(C(N)=O)CC3)c2Cl)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)OCC(=O)N1CCC(CC1)C(N)=O
Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)N3CCC(C(N)=O)CC3)c2Cl)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)OCC(=O)N1CCC(CC1)C(N)=O)[*:1]
Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)N3CCC(C(N)=O)CC3)c2Cl)cc1 NC(=O)[*:1] Cc1ccc(cc1)Cn1nc(C)c(C(=O)OCC(=O)N2CCC(CC2)[*:1])c1Cl
C[C@H](Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])c1cccnc1 c1cncc(c1)[*:1] C[C@H](Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[*:1]
C[C@H](Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])c1cccnc1 O=[N+]([O-])[*:1] C[C@H](Nc1cc(Cl)c(Cl)cc1[*:1])c1cccnc1
CCC[C@@H](C)NC(=O)[C@@H](C)Oc1c(F)cc(C[NH3+])cc1F CCC[C@@H](C)[*:1] C[C@@H](Oc1c(F)cc(cc1F)C[NH3+])C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H](C)Oc1c(F)cc(C[NH3+])cc1F CCC[*:1] C[C@@H](Oc1c(F)cc(cc1F)C[NH3+])C(=O)N[C@H](C)[*:1]
Nc1c(C(=O)NC[C@H]2CCCOC2)sc2cccc(F)c12 C1COC[C@H](C1)[*:1] Nc1c(sc2cccc(F)c12)C(=O)NC[*:1]
Nc1c(C(=O)NC[C@H]2CCCOC2)sc2cccc(F)c12 C1COC[C@H](C1)C[*:1] Nc1c(sc2cccc(F)c12)C(=O)N[*:1]
CC(C)=CC(=O)N1CC[S@](=O)C(C)(C)C1 CC(C)=C[*:1] CC1(C)CN(CC[S@@]1=O)C(=O)[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 COc1ccc(cc1)[*:1] COc1cc(OC)c(cc1OC)[C@H]1Nc2nonc2NC2C[C@H](CC(=O)C=21)[*:1]
COc1cccc([C@H](C)CC(=O)NNc2cc(OC)ccc2Cl)c1 COc1cccc(c1)[*:1] COc1ccc(Cl)c(c1)NNC(=O)C[C@@H](C)[*:1]
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(Sc2nncs2)cc1 c1nnc(S[*:1])s1 O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(cc1)[*:1]
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(Sc2nncs2)cc1 c1nnc(s1)[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(cc1)S[*:1]
Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3ccnn3C)C2)cc1 Cc1ccc(cc1)[*:1] Cn1nccc1C(=O)N1CCC[C@@H](C1)c1[nH]ncc1[*:1]
Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3ccnn3C)C2)cc1 Cn1nccc1[*:1] Cc1ccc(cc1)-c1cn[nH]c1[C@H]1CCCN(C1)C(=O)[*:1]
O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1cccc(c1)[*:1]
COc1ccc2c(c1)[C@@]1(CCN(C(=O)C3CCCC3)C1)C(=O)N2C C1CCC(C1)[*:1] COc1ccc2c(c1)[C@@]1(CCN(C1)C(=O)[*:1])C(=O)N2C
C[C@H]1CC(=O)N(CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1=O CC(C)(C)[*:1] C[C@H]1CC(=O)N(CCS(=O)(=O)c2ccc(cc2)[*:1])C1=O
O=C(Cc1csc(-c2ccsc2)n1)NC[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1ccsc1)NC[C@@H](O)[*:1]
O=C(Cc1csc(-c2ccsc2)n1)NC[C@@H](O)c1ccccc1 c1cc(cs1)[*:1] O=C(Cc1csc(n1)[*:1])NC[C@@H](O)c1ccccc1
O=C(CCn1ccccc1=O)Nc1ccccc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(CCn1ccccc1=O)Nc1ccccc1[*:1]
O=C(CCn1ccccc1=O)Nc1ccccc1NC(=O)c1ccccc1 O=c1ccccn1[*:1] O=C(CC[*:1])Nc1ccccc1NC(=O)c1ccccc1
O=C(CCn1ccccc1=O)Nc1ccccc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1ccccc1=O)Nc1ccccc1NC(=O)[*:1]
O=C(CCn1ccccc1=O)Nc1ccccc1NC(=O)c1ccccc1 O=c1ccccn1CC[*:1] O=C(Nc1ccccc1NC(=O)[*:1])c1ccccc1
O=C(CCn1ccccc1=O)Nc1ccccc1NC(=O)c1ccccc1 O=c1ccccn1C[*:1] O=C(C[*:1])Nc1ccccc1NC(=O)c1ccccc1
CCC(=O)NNC(=O)CSc1nnc(COC)n1N COC[*:1] CCC(=O)NNC(=O)CSc1nnc(n1N)[*:1]
COc1ccc([C@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1 COc1ccc(cc1)[*:1] c1cc2[C@H](NCc3ccc4OCOc4c3-n2c1)[*:1]
O=C(NCc1cccc(Cn2cncn2)c1)N1CCC[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(NCc1cccc(c1)Cn1cncn1)N1CCC[C@@H]1[*:1]
O=C(NCc1cccc(Cn2cncn2)c1)N1CCC[C@H]1C1CCCCC1 c1ncn(n1)[*:1] O=C(NCc1cccc(c1)C[*:1])N1CCC[C@H]1C1CCCCC1
O=C(NCc1cccc(Cn2cncn2)c1)N1CCC[C@H]1C1CCCCC1 c1ncn(C[*:1])n1 O=C(NCc1cccc(c1)[*:1])N1CCC[C@H]1C1CCCCC1
CCSc1ccc(Cl)cc1C(=O)NC[C@H](O)C1CCCC1 O[C@H](C1CCCC1)[*:1] CCSc1ccc(Cl)cc1C(=O)NC[*:1]
CCSc1ccc(Cl)cc1C(=O)NC[C@H](O)C1CCCC1 C1CCC(C1)[*:1] CCSc1ccc(Cl)cc1C(=O)NC[C@H](O)[*:1]
CCSc1ccc(Cl)cc1C(=O)NC[C@H](O)C1CCCC1 CCS[*:1] O=C(NC[C@H](O)C1CCCC1)c1cc(Cl)ccc1[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(N2CCCCC2)c1 C1CCN(CC1)[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1)[*:1]
O=C([O-])C1CN(C(=O)CC2CC[NH2+]CC2)C1 O=C([O-])[*:1] O=C(CC1CC[NH2+]CC1)N1CC(C1)[*:1]
C[C@H](CNC(=O)C1CCCC1)Oc1ccccc1Cl C1CCC(C1)[*:1] C[C@H](CNC(=O)[*:1])Oc1ccccc1Cl
CCCO[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(Br)c(C)c2)C1 CCCO[*:1] Cc1cc(ccc1Br)[C@H](C[NH3+])N1CCC[C@H](C1)[*:1]
CCCO[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(Br)c(C)c2)C1 CCC[*:1] Cc1cc(ccc1Br)[C@H](C[NH3+])N1CCC[C@H](C1)O[*:1]
COC(=O)c1ccc(OCc2ccccc2)c(Br)c1 COC(=O)[*:1] Brc1cc(ccc1OCc1ccccc1)[*:1]
COC(=O)c1ccc(OCc2ccccc2)c(Br)c1 c1ccc(cc1)[*:1] COC(=O)c1ccc(OC[*:1])c(Br)c1
CCCCC(=O)Oc1ccc2c(c1)CCC(=O)N2 CCCC[*:1] O=C1CCc2cc(ccc2N1)OC(=O)[*:1]
CCCCC(=O)Oc1ccc2c(c1)CCC(=O)N2 CCC[*:1] O=C1CCc2cc(ccc2N1)OC(=O)C[*:1]
CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCC[C@H](O)C2)cc1 CC(C)(C)[*:1] O=C([C@H]1CSCN1C(=O)c1ccc(cc1)[*:1])N1CCC[C@H](O)C1
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C O=C(c1ccccc1)[*:1] Cc1ccc(cc1C)-n1nnnc1SCC(=O)Nc1ccccc1[*:1]
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1nnnc1SCC(=O)Nc1ccccc1C(=O)[*:1]
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C Cc1ccc(cc1C)[*:1] O=C(CSc1nnnn1[*:1])Nc1ccccc1C(=O)c1ccccc1
CSCCOC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 CSCC[*:1] O=C(O[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1F
CSCCOC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 CSC[*:1] O=C(OC[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1F
CSCCOC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 CSCCOC(=O)[*:1] O=C(c1ccc(F)cc1F)N1CCC(CC1)[*:1]
Cc1cc(C)n2nc(C(=O)N(CCC#N)CC(F)(F)F)nc2n1 N#CC[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N(CC(F)(F)F)C[*:1]
Cc1cc(C)n2nc(C(=O)N(CCC#N)CC(F)(F)F)nc2n1 N#CCC[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N(CC(F)(F)F)[*:1]
Cc1cc(C)n2nc(C(=O)N(CCC#N)CC(F)(F)F)nc2n1 FC(F)(F)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N(CCC#N)C[*:1]
Cc1cc(C)n2nc(C(=O)N(CCC#N)CC(F)(F)F)nc2n1 FC(F)(F)C[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N(CCC#N)[*:1]
Cc1cc[n+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 FC(F)O[*:1] Cc1cc[n+](cc1)CC(=O)N(C)Cc1ccc(cc1)[*:1]
Cc1cc[n+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 Cc1cc[n+](cc1)[*:1] CN(Cc1ccc(cc1)OC(F)F)C(=O)C[*:1]
Cc1cc[n+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 FC(F)[*:1] Cc1cc[n+](cc1)CC(=O)N(C)Cc1ccc(cc1)O[*:1]
C[C@H](C(=O)NC1CCCC1)N1CCN(c2ccc(C(N)=O)nn2)CC1 C1CCC(C1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)c1ccc(nn1)C(N)=O
C[C@H](C(=O)NC1CCCC1)N1CCN(c2ccc(C(N)=O)nn2)CC1 O=C(NC1CCCC1)[*:1] C[C@H](N1CCN(CC1)c1ccc(nn1)C(N)=O)[*:1]
C[C@H](C(=O)NC1CCCC1)N1CCN(c2ccc(C(N)=O)nn2)CC1 NC(=O)[*:1] C[C@H](C(=O)NC1CCCC1)N1CCN(CC1)c1ccc(nn1)[*:1]
C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1ccc(cc1)[*:1]
Cc1ccc(-n2cnnc2S(=O)(=O)Cc2ccccc2C)cc1Cl Cc1ccccc1[*:1] Cc1ccc(cc1Cl)-n1cnnc1S(=O)(=O)C[*:1]
Cc1ccc(-n2cnnc2S(=O)(=O)Cc2ccccc2C)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1ccccc1CS(=O)(=O)c1nncn1[*:1]
Cc1ccc(-n2cnnc2S(=O)(=O)Cc2ccccc2C)cc1Cl Cc1ccccc1C[*:1] Cc1ccc(cc1Cl)-n1cnnc1S(=O)(=O)[*:1]
Cc1cnc(-c2cccc(NC(=O)C(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)c2)o1 Cc1cnc(o1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
c1cncc(-c2csc(C3CCCC3)n2)c1 C1CCC(C1)[*:1] c1cncc(c1)-c1csc(n1)[*:1]
CN(C)c1ncccc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C CN(C)[*:1] Cn1c(nc2cc(ccc21)NC(=O)c1cccnc1[*:1])C1CC1
CN(C)c1ncccc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] CN(C)c1ncccc1C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
Cc1cc(CN(C)C(=O)NC[C@@H](C(C)C)N2CCOCC2)no1 CC(C)[*:1] Cc1cc(CN(C)C(=O)NC[C@@H](N2CCOCC2)[*:1])no1
Cc1cc(CN(C)C(=O)NC[C@@H](C(C)C)N2CCOCC2)no1 Cc1cc(no1)[*:1] CC(C)[C@H](CNC(=O)N(C)C[*:1])N1CCOCC1
Cc1cc(CN(C)C(=O)NC[C@@H](C(C)C)N2CCOCC2)no1 Cc1cc(C[*:1])no1 CC(C)[C@H](CNC(=O)N(C)[*:1])N1CCOCC1
Cc1cc(CN(C)C(=O)NC[C@@H](C(C)C)N2CCOCC2)no1 C1CN(CCO1)[*:1] Cc1cc(CN(C)C(=O)NC[C@@H](C(C)C)[*:1])no1
C[C@@H](CNC(=O)N(C)Cc1ccc(F)cc1)Oc1ccccc1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N(C)C[*:1])Oc1ccccc1
C[C@@H](CNC(=O)N(C)Cc1ccc(F)cc1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)N(C)Cc1ccc(F)cc1)[*:1]
C[C@@H](CNC(=O)N(C)Cc1ccc(F)cc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N(C)Cc1ccc(F)cc1)O[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-n3cccn3)cc2)n1 CC(C)[*:1] N#C[C@H](C(=O)c1ccc(cc1)-n1cccn1)c1nc(cs1)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-n3cccn3)cc2)n1 c1cnn(c1)[*:1] CC(C)c1csc(n1)[C@H](C#N)C(=O)c1ccc(cc1)[*:1]
CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-n3cccn3)cc2)n1 CC(C)c1csc(n1)[*:1] N#C[C@H](C(=O)c1ccc(cc1)-n1cccn1)[*:1]
COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc(OC)c1OC c1cc2OCOc2cc1[*:1] COc1cc(cc(OC)c1OC)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
CCC(CC)C(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 CCC(CC)C(=O)O[*:1] O=c1cc(C[*:1])nc2sc(nn12)C1CCCCC1
CCC(CC)C(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 C1CCC(CC1)[*:1] CCC(CC)C(=O)OCc1cc(=O)n2nc(sc2n1)[*:1]
CCC(CC)C(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 CCC(CC)[*:1] O=C(OCc1cc(=O)n2nc(sc2n1)C1CCCCC1)[*:1]
CCCc1nnsc1C(=O)Nc1ccc2c(COC)cc(=O)[nH]c2c1 CCC[*:1] COCc1cc(=O)[nH]c2cc(ccc12)NC(=O)c1snnc1[*:1]
CCCc1nnsc1C(=O)Nc1ccc2c(COC)cc(=O)[nH]c2c1 COC[*:1] CCCc1nnsc1C(=O)Nc1ccc2c(cc(=O)[nH]c2c1)[*:1]
CCCc1nnsc1C(=O)Nc1ccc2c(COC)cc(=O)[nH]c2c1 CCCc1nnsc1[*:1] COCc1cc(=O)[nH]c2cc(ccc12)NC(=O)[*:1]
COc1ccc2c(c1)OC[C@@H](CNC(=O)Cc1csc(C(C)=O)c1)C2 CC(=O)[*:1] COc1ccc2C[C@H](CNC(=O)Cc3csc(c3)[*:1])COc2c1
COc1ccc2c(c1)OC[C@@H](CNC(=O)Cc1csc(C(C)=O)c1)C2 CC(=O)c1cc(cs1)[*:1] COc1ccc2C[C@H](CNC(=O)C[*:1])COc2c1
CCc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2c(n1)c(C)nn2C c1ccc(cc1)OC[*:1] CCc1nc(c2c(n1)c(C)nn2C)N1CCN(CC1)C(=O)[*:1]
CCc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2c(n1)c(C)nn2C c1ccc(cc1)O[*:1] CCc1nc(c2c(n1)c(C)nn2C)N1CCN(CC1)C(=O)C[*:1]
CCc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2c(n1)c(C)nn2C c1ccc(cc1)[*:1] CCc1nc(c2c(n1)c(C)nn2C)N1CCN(CC1)C(=O)CO[*:1]
COC[C@H](NC(=O)NCc1c(F)cccc1F)c1ccc(F)c(F)c1 COC[*:1] O=C(NCc1c(F)cccc1F)N[C@H](c1ccc(F)c(F)c1)[*:1]
COC[C@H](NC(=O)NCc1c(F)cccc1F)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)NCc1c(F)cccc1F)[*:1]
COC[C@H](NC(=O)NCc1c(F)cccc1F)c1ccc(F)c(F)c1 Fc1cccc(F)c1[*:1] COC[C@H](NC(=O)NC[*:1])c1ccc(F)c(F)c1
O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc2[nH]ccc2c1 Clc1cccc(c1)[*:1] O=C(NCCNC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccc2[nH]ccc2c1
O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc2[nH]ccc2c1 c1cc2cc(ccc2[nH]1)[*:1] O=C(NCCNC(=O)[*:1])[C@@H]1CC(=O)N(C1)c1cccc(Cl)c1
Cn1cnc(CNC(=O)Nc2ccc3[nH]nnc3c2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])Nc1ccc2[nH]nnc2c1
CC[C@@H](C#N)OC(=O)Cn1ccccc1=O CC[C@@H](C#N)[*:1] O=C(Cn1ccccc1=O)O[*:1]
CCC1(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CCC1 c1ccc(C[*:1])nc1 CCC1(CCC1)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCC1(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(Cc2ccccn2)C1
CCC1(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CCC1 c1ccc(nc1)[*:1] CCC1(CCC1)CNC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCC1(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CCC1 CCC1(CCC1)C[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(Cc2ccccn2)C1
COc1ccc([C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1ccc(cc1)S(C)(=O)=O)[*:1]
COc1ccc([C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)C(C)C)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1ccc(cc1)[*:1])C(C)C
COc1ccc([C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1ccc(cc1)S(C)(=O)=O)[*:1]
CC(C)CN1C(=O)C2(CCCC2)N[C@@H]1c1c[nH]nc1-c1cccnc1 CC(C)[*:1] O=C1N(C[*:1])[C@H](NC12CCCC2)c1c[nH]nc1-c1cccnc1
CC(C)CN1C(=O)C2(CCCC2)N[C@@H]1c1c[nH]nc1-c1cccnc1 CC(C)C[*:1] O=C1N([C@H](NC12CCCC2)c1c[nH]nc1-c1cccnc1)[*:1]
CC(C)CN1C(=O)C2(CCCC2)N[C@@H]1c1c[nH]nc1-c1cccnc1 c1cncc(c1)[*:1] CC(C)CN1C(=O)C2(CCCC2)N[C@@H]1c1c[nH]nc1[*:1]
Cn1cc(C(N)=O)cc1C(=O)O[C@@H](C1CCCCC1)C(F)(F)F C1CCC(CC1)[*:1] Cn1cc(cc1C(=O)O[C@@H](C(F)(F)F)[*:1])C(N)=O
Cn1cc(C(N)=O)cc1C(=O)O[C@@H](C1CCCCC1)C(F)(F)F NC(=O)[*:1] Cn1cc(cc1C(=O)O[C@@H](C1CCCCC1)C(F)(F)F)[*:1]
Cn1cc(C(N)=O)cc1C(=O)O[C@@H](C1CCCCC1)C(F)(F)F FC(F)(F)[*:1] Cn1cc(cc1C(=O)O[C@@H](C1CCCCC1)[*:1])C(N)=O
Cc1ccc(NC(=O)C(=O)NCCc2cccc(F)c2)cc1[N+](=O)[O-] Fc1cccc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)C(=O)NCC[*:1]
Cc1ccc(NC(=O)C(=O)NCCc2cccc(F)c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)NCCc1cccc(F)c1
Cc1ccc(NC(=O)C(=O)NCCc2cccc(F)c2)cc1[N+](=O)[O-] Fc1cccc(c1)C[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)C(=O)NC[*:1]
CCc1[nH]nc(-n2cccc2)c1C(=O)[O-] O=C([O-])[*:1] CCc1[nH]nc(c1[*:1])-n1cccc1
CCc1[nH]nc(-n2cccc2)c1C(=O)[O-] c1ccn(c1)[*:1] CCc1[nH]nc(c1C(=O)[O-])[*:1]
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1/N=C/c1ccco1 c1coc(c1)[*:1] O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1N=C[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)C1 C1CCC(C1)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
Nc1n(CCO)c2ccccc2[n+]1Cc1ccccc1Cl Clc1ccccc1[*:1] Nc1n(CCO)c2ccccc2[n+]1C[*:1]
Nc1n(CCO)c2ccccc2[n+]1Cc1ccccc1Cl OCC[*:1] Nc1n(c2ccccc2[n+]1Cc1ccccc1Cl)[*:1]
Cc1cc(C(=O)NCCSCc2ccccc2)c2c(C)noc2n1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NCCSC[*:1])c2c(C)noc2n1
Cc1cc(C(=O)NCCSCc2ccccc2)c2c(C)noc2n1 c1ccc(cc1)C[*:1] Cc1cc(C(=O)NCCS[*:1])c2c(C)noc2n1
Cc1cc(C(=O)NCCSCc2ccccc2)c2c(C)noc2n1 c1ccc(cc1)CS[*:1] Cc1cc(C(=O)NCC[*:1])c2c(C)noc2n1
CCc1nc2n(n1)CCC[C@H]2NC(=O)C[C@@H](C)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)C[C@@H](C)NC(=O)[*:1]
O=S1(=O)CC[C@H](N(C[C@@H]2CCCO2)C(=S)N[C@@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@H](C1)[*:1] O=S1(=O)CC[C@H](C1)NC(=S)N(C[C@@H]1CCCO1)[*:1]
O=S1(=O)CC[C@H](N(C[C@@H]2CCCO2)C(=S)N[C@@H]2CCS(=O)(=O)C2)C1 C1CO[C@@H](C1)C[*:1] O=S1(=O)CC[C@@H](C1)N(C(=S)N[C@@H]1CCS(=O)(=O)C1)[*:1]
O=S1(=O)CC[C@H](N(C[C@@H]2CCCO2)C(=S)N[C@@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@H](C1)[*:1] O=S1(=O)CC[C@@H](C1)N(C[C@@H]1CCCO1)C(=S)N[*:1]
O=S1(=O)CC[C@H](N(C[C@@H]2CCCO2)C(=S)N[C@@H]2CCS(=O)(=O)C2)C1 C1CO[C@@H](C1)[*:1] O=S1(=O)CC[C@@H](C1)N(C[*:1])C(=S)N[C@@H]1CCS(=O)(=O)C1
N#Cc1ccc(OCCOC(=O)CN2C(=O)c3ccccc3C2=O)cc1 N#Cc1ccc(cc1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)OCCO[*:1]
Cc1cnccc1CCNC(=O)c1cn(C)nc1C(C)(C)C CC(C)(C)[*:1] Cc1cnccc1CCNC(=O)c1cn(C)nc1[*:1]
Cc1cnccc1CCNC(=O)c1cn(C)nc1C(C)(C)C Cc1cnccc1[*:1] Cn1cc(C(=O)NCC[*:1])c(n1)C(C)(C)C
COC(=O)CC1CCN(C(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)CC1 COC(=O)C[*:1] O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)N1CCC(CC1)[*:1]
COC(=O)CC1CCN(C(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)CC1 C1CCC(C1)O[*:1] COC(=O)CC1CCN(CC1)C(=O)N[C@H]1CCCC[C@H]1[*:1]
COC(=O)CC1CCN(C(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)CC1 C1CCC(C1)[*:1] COC(=O)CC1CCN(CC1)C(=O)N[C@H]1CCCC[C@@H]1O[*:1]
COC(=O)CC1CCN(C(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)CC1 COC(=O)[*:1] O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)N1CCC(CC1)C[*:1]
CC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCOCC1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)CO[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCOCC1 c1ccc(cc1)O[*:1] CC[C@H](NC(=O)C[*:1])C(=O)N1CCOCC1
CC1(C)CC(=O)c2cnc3nc(NCc4ccccc4)[nH]c(=O)c3c2C1 c1ccc(cc1)[*:1] CC1(C)CC(=O)c2cnc3nc(NC[*:1])[nH]c(=O)c3c2C1
CC1(C)CC(=O)c2cnc3nc(NCc4ccccc4)[nH]c(=O)c3c2C1 c1ccc(cc1)C[*:1] CC1(C)CC(=O)c2cnc3nc(N[*:1])[nH]c(=O)c3c2C1
CC1(C)CC(=O)c2cnc3nc(NCc4ccccc4)[nH]c(=O)c3c2C1 c1ccc(cc1)CN[*:1] CC1(C)CC(=O)c2cnc3nc([nH]c(=O)c3c2C1)[*:1]
O=S(=O)(CCO)/N=c1\[nH]c2c(s1)CCC2 OCC[*:1] O=S(=O)(/N=c1\[nH]c2CCCc2s1)[*:1]
Cc1csc([C@@H](NC(=O)N[C@H](CO)c2ccccc2)C2CC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@@H](NC(=O)N[C@H](CO)[*:1])C1CC1
Cc1csc([C@@H](NC(=O)N[C@H](CO)c2ccccc2)C2CC2)n1 Cc1csc(n1)[*:1] O=C(N[C@H](CO)c1ccccc1)N[C@@H](C1CC1)[*:1]
Cc1csc([C@@H](NC(=O)N[C@H](CO)c2ccccc2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)N[C@H](CO)c1ccccc1)[*:1]
COc1ccc([C@H](CNC(=O)c2sccc2-n2cccc2)N2CCOCC2)cc1 c1ccn(c1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)c1sccc1[*:1])N1CCOCC1
COc1ccc([C@H](CNC(=O)c2sccc2-n2cccc2)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1sccc1-n1cccc1
COc1ccc([C@H](CNC(=O)c2sccc2-n2cccc2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](CNC(=O)c1sccc1-n1cccc1)[*:1]
Nn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Nn1c(nnc1[*:1])SCc1nnc(o1)-c1ccccc1Br
Nn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1-c1cccc(Cl)c1 Brc1ccccc1[*:1] Nn1c(nnc1-c1cccc(Cl)c1)SCc1nnc(o1)[*:1]
Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc[nH+]2)c2cccnc2)c1C c1ccc(cc1)[*:1] Cc1sc(NC(=O)[*:1])c(c1C)[C@H](Nc1cccc[nH+]1)c1cccnc1
Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc[nH+]2)c2cccnc2)c1C c1cncc(c1)[*:1] Cc1sc(NC(=O)c2ccccc2)c(c1C)[C@H](Nc1cccc[nH+]1)[*:1]
Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc[nH+]2)c2cccnc2)c1C O=C(N[*:1])c1ccccc1 Cc1sc(c(c1C)[C@H](Nc1cccc[nH+]1)c1cccnc1)[*:1]
CCOC(=O)[C@H](C)NS(=O)(=O)c1cc(C)cc(N)c1C CCOC(=O)[*:1] Cc1cc(N)c(C)c(c1)S(=O)(=O)N[C@@H](C)[*:1]
COc1ccccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O COc1ccccc1[*:1] O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N[*:1]
Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)N3CCC(C)CC3)CC1)NC2=O CC1CCN(CC1)C(=O)[*:1] Cc1ccc2C(=O)N[C@]3(CCC(=O)N(CC3)[C@H](C)[*:1])Nc2c1
Cc1cccc(C(=O)NCc2nncn2C)c1O Cn1cnnc1[*:1] Cc1cccc(C(=O)NC[*:1])c1O
O=C(N[C@@H]1CCCCC[C@H]1C(=O)[O-])[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C([O-])[C@@H]1CCCCC[C@H]1NC(=O)[*:1]
O=C(N[C@@H]1CCCCC[C@H]1C(=O)[O-])[C@@H]1CCOC1 O=C([O-])[*:1] O=C(N[C@@H]1CCCCC[C@@H]1[*:1])[C@@H]1CCOC1
CCc1ccsc1CNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 CNC(=O)[*:1] CCc1ccsc1CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCc1ccsc1CNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 CCc1ccsc1[*:1] CNC(=O)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
CCc1ccsc1CNC(=O)C(=O)Nc1ccc(C(=O)NC)cc1 CCc1ccsc1C[*:1] CNC(=O)c1ccc(cc1)NC(=O)C(=O)N[*:1]
O=C(Nc1cnc2ccccc2c1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1cnc2ccccc2c1)C(=O)N[C@@H]1C[C@H]1[*:1]
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C(=O)c3ccccc3C1=N2 O=[N+]([O-])[*:1] Cn1c2N=C3c4ccccc4C(=O)[C@H]3[C@@H](c3cc(ccc3[O-])[*:1])c2c(=O)n(C)c1=O
CSc1ccc(C(=O)[C@@H]2CCCN(Cc3nc4c(s3)CCCC4)C2)cc1 CSc1ccc(cc1)[*:1] O=C([C@@H]1CCCN(Cc2nc3CCCCc3s2)C1)[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(Cc1cccnc1Cl)C2=O CC(C)(C)OC(=O)NC[*:1] O=C1N[C@]2(CCCC[C@@H]2[*:1])C(=O)N1Cc1cccnc1Cl
CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(Cc1cccnc1Cl)C2=O Clc1ncccc1C[*:1] CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(C2=O)[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(Cc1cccnc1Cl)C2=O CC(C)(C)[*:1] O=C(NC[C@H]1CCCC[C@]12NC(=O)N(Cc1cccnc1Cl)C2=O)O[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(Cc1cccnc1Cl)C2=O CC(C)(C)OC(=O)N[*:1] O=C1N[C@]2(CCCC[C@@H]2C[*:1])C(=O)N1Cc1cccnc1Cl
CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(Cc1cccnc1Cl)C2=O Clc1ncccc1[*:1] CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(C[*:1])C2=O
COC(=O)c1cc(C)ccc1OCC(=O)NC1CCCC1 C1CCC(C1)[*:1] COC(=O)c1cc(C)ccc1OCC(=O)N[*:1]
COC(=O)c1cc(C)ccc1OCC(=O)NC1CCCC1 COC(=O)[*:1] Cc1ccc(OCC(=O)NC2CCCC2)c(c1)[*:1]
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(N)=O N#CC(=C[*:1])C(N)=O O=c1oc2ccccc2cc1-c1nn(cc1[*:1])-c1ccccc1
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(N)=O c1ccc(cc1)[*:1] N#C/C(=C\c1cn(nc1-c1cc2ccccc2oc1=O)[*:1])C(N)=O
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(N)=O NC(=O)[*:1] N#CC(=Cc1cn(nc1-c1cc2ccccc2oc1=O)-c1ccccc1)[*:1]
C[C@@H](NCc1nncn1C1CC1)c1cc(Cl)ccc1OC(F)F FC(F)[*:1] C[C@@H](NCc1nncn1C1CC1)c1cc(Cl)ccc1O[*:1]
C[C@@H](NCc1nncn1C1CC1)c1cc(Cl)ccc1OC(F)F C1CC1[*:1] C[C@@H](NCc1nncn1[*:1])c1cc(Cl)ccc1OC(F)F
C[C@@H](NCc1nncn1C1CC1)c1cc(Cl)ccc1OC(F)F FC(F)O[*:1] C[C@@H](NCc1nncn1C1CC1)c1cc(Cl)ccc1[*:1]
CC(C)C[C@@H](C)OC(=O)C=C1CCSCC1 CC(C)[*:1] C[C@H](C[*:1])OC(=O)C=C1CCSCC1
CC(C)C[C@@H](C)OC(=O)C=C1CCSCC1 CC(C)C[*:1] C[C@@H](OC(=O)C=C1CCSCC1)[*:1]
CC(C)COC(=O)[C@H](C)NC(=O)[C@H]1CCO[C@H]1C C[C@@H]1OCC[C@@H]1[*:1] CC(C)COC(=O)[C@H](C)NC(=O)[*:1]
CC(C)COC(=O)[C@H](C)NC(=O)[C@H]1CCO[C@H]1C CC(C)C[*:1] C[C@H](NC(=O)[C@H]1CCO[C@H]1C)C(=O)O[*:1]
CC(C)COC(=O)[C@H](C)NC(=O)[C@H]1CCO[C@H]1C CC(C)[*:1] C[C@H](NC(=O)[C@H]1CCO[C@H]1C)C(=O)OC[*:1]
CC[C@@H]([NH2+][C@@H](C)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@@H]([NH2+][C@@H](C)c1c[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
CC[C@@H]([NH2+][C@@H](C)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCO1 O=[N+]([O-])[*:1] CC[C@@H]([NH2+][C@@H](C)c1c[nH]c2ccc(cc12)[*:1])[C@@H]1CCCO1
COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc2cc(ccc2o1)NC(=O)CO[*:1]
COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1 c1ccc(cc1)OC[*:1] COc1ccc(cc1)-c1nc2cc(ccc2o1)NC(=O)[*:1]
COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)-c1nc2cc(ccc2o1)NC(=O)C[*:1]
COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccccc1)Nc1ccc2oc(nc2c1)[*:1]
Cc1cccn2cc(C[S@](=O)[C@H](C)C(=O)NCc3ccccc3)nc12 c1ccc(cc1)C[*:1] Cc1cccn2cc(C[S@](=O)[C@H](C)C(=O)N[*:1])nc12
Cc1cccn2cc(C[S@](=O)[C@H](C)C(=O)NCc3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1cccn2cc(C[S@](=O)[C@H](C)C(=O)NC[*:1])nc12
CC[C@H](C)OC(=O)c1c(NC(=O)c2nc3ncccn3n2)sc2c1CCCC2 c1cnc2nc(nn2c1)[*:1] CC[C@H](C)OC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
CC[C@H](C)OC(=O)c1c(NC(=O)c2nc3ncccn3n2)sc2c1CCCC2 CC[C@H](C)OC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])c1nc2ncccn2n1
Cc1noc(C)c1CNS(=O)(=O)c1cc(N)c(F)cc1F Cc1noc(C)c1[*:1] Nc1cc(c(F)cc1F)S(=O)(=O)NC[*:1]
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)/C=C/c1ccccc1 CCOC(=O)[*:1] O=C1NCCN(C(=O)/C=C/c2ccccc2)[C@@H]1C[*:1]
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)/C=C/c1ccccc1 CCOC(=O)C[*:1] O=C1NCCN(C(=O)/C=C/c2ccccc2)[C@@H]1[*:1]
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C=C[*:1]
CO[C@H]1CCC[C@@H]1OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 c1ncn(n1)[*:1] CO[C@H]1CCC[C@@H]1OC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CO[C@H]1CCC[C@@H]1OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CO[C@H]1CCC[C@@H]1OC(=O)c1ccc(c(c1)[*:1])-n1cncn1
CC[C@H](c1ccncc1)N(C)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] CC[C@H](c1ccncc1)N(C)C(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 c1cc(ccn1)[*:1] CC[C@H](N(C)C(=O)[C@H]1CCCN(C1)C(=O)NC1CCCC1)[*:1]
Fc1ccc(-c2c(CCl)nnn2-c2ccccc2F)cc1 Fc1ccc(cc1)[*:1] Fc1ccccc1-n1nnc(CCl)c1[*:1]
Fc1ccc(-c2c(CCl)nnn2-c2ccccc2F)cc1 Fc1ccccc1[*:1] Fc1ccc(cc1)-c1c(CCl)nnn1[*:1]
CC(C)Oc1cccnc1C(=O)Nc1nc(-c2cnn(C)c2)cs1 CC(C)O[*:1] Cn1cc(cn1)-c1csc(n1)NC(=O)c1ncccc1[*:1]
CC(C)Oc1cccnc1C(=O)Nc1nc(-c2cnn(C)c2)cs1 CC(C)[*:1] Cn1cc(cn1)-c1csc(n1)NC(=O)c1ncccc1O[*:1]
CC(C)Oc1cccnc1C(=O)Nc1nc(-c2cnn(C)c2)cs1 Cn1cc(cn1)[*:1] CC(C)Oc1cccnc1C(=O)Nc1nc(cs1)[*:1]
CS[C@H]1CC[C@H](NC(=O)c2ccccc2OC2CCC2)C1 C1CC(C1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)c1ccccc1O[*:1]
CS[C@H]1CC[C@H](NC(=O)c2ccccc2OC2CCC2)C1 C1CC(C1)O[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)c1ccccc1[*:1]
CCc1nn(C)cc1C(=O)N(C)[C@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1nn(C)cc1C(=O)N(C)[C@H](C)[*:1]
COc1ccccc1/C=C/C(=O)N1CCC(OCc2ccccc2F)CC1 COc1ccccc1[*:1] O=C(C=C[*:1])N1CCC(CC1)OCc1ccccc1F
COc1ccccc1/C=C/C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] COc1ccccc1/C=C/C(=O)N1CCC(CC1)OC[*:1]
COc1ccccc1/C=C/C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] COc1ccccc1/C=C/C(=O)N1CCC(CC1)O[*:1]
COc1ccccc1/C=C/C(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] COc1ccccc1/C=C/C(=O)N1CCC(CC1)[*:1]
Cc1nc(C[NH+](CC(=O)Nc2ccccc2F)Cc2ccccc2F)oc1C Fc1ccccc1[*:1] Cc1nc(C[NH+](CC(=O)Nc2ccccc2F)C[*:1])oc1C
Cc1nc(C[NH+](CC(=O)Nc2ccccc2F)Cc2ccccc2F)oc1C Fc1ccccc1C[*:1] Cc1nc(C[NH+](CC(=O)Nc2ccccc2F)[*:1])oc1C
Cc1nc(C[NH+](CC(=O)Nc2ccccc2F)Cc2ccccc2F)oc1C Fc1ccccc1[*:1] Cc1nc(C[NH+](CC(=O)N[*:1])Cc2ccccc2F)oc1C
Cc1nc(C[NH+](CC(=O)Nc2ccccc2F)Cc2ccccc2F)oc1C Cc1nc(oc1C)[*:1] O=C(C[NH+](Cc1ccccc1F)C[*:1])Nc1ccccc1F
C[C@H]1CCC[C@H](NC(=O)CSc2nncs2)[C@@H]1C c1nnc(s1)[*:1] C[C@H]1CCC[C@H](NC(=O)CS[*:1])[C@@H]1C
C[C@H]1CCC[C@H](NC(=O)CSc2nncs2)[C@@H]1C c1nnc(S[*:1])s1 C[C@H]1CCC[C@H](NC(=O)C[*:1])[C@@H]1C
CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1 CSCc1nnc(o1)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCCC1
CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1 CSC[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCCC1
CC(C)C[C@@H](C)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 CC(C)C[*:1] C[C@@H](CC(=O)N1CCN(CC1)C(=O)C[NH+](C)C)[*:1]
CC(C)C[C@@H](C)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 CC(C)C[C@@H](C)C[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)C[C@@H](C)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 CC(C)C[C@@H](C)[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)C[*:1]
CC(C)C[C@@H](C)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 CC(C)[*:1] C[C@@H](CC(=O)N1CCN(CC1)C(=O)C[NH+](C)C)C[*:1]
COc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C3CC3)CC2)cc1 C1CC1[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[C@@H](O)[*:1]
COc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C3CC3)CC2)cc1 O[C@H](C[*:1])C1CC1 COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)C[NH2+]Cc1ncoc1-c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)C[NH2+]Cc1ncoc1-c1ccc(cc1)[*:1]
CC(C)C[NH2+]Cc1ncoc1-c1ccc(C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)-c1ocnc1C[NH2+]C[*:1]
CC(C)C[NH2+]Cc1ncoc1-c1ccc(C(C)(C)C)cc1 CC(C)C[*:1] CC(C)(C)c1ccc(cc1)-c1ocnc1C[NH2+][*:1]
COc1ccc(Cn2nnc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)Cn1nnc(n1)[*:1]
CCc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)on1 CCc1cc(on1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1[*:1]
CCc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)on1 Fc1ccc(cc1)[*:1] CCc1cc(on1)[C@@H]1CCCN1S(=O)(=O)[*:1]
C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 c1cc(cc[nH+]1)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC1CCN(CC1)[*:1]
C[C@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1ccc2c(c1)CCCO2 c1ccc(nc1)[*:1] C[C@H](NC(=O)CCc1nc(no1)[*:1])c1ccc2OCCCc2c1
Cn1c(CS(=O)(=O)Cc2ccnc(Cl)c2)nnc1-c1ccccc1 Clc1cc(ccn1)C[*:1] Cn1c(CS(=O)(=O)[*:1])nnc1-c1ccccc1
Cn1c(CS(=O)(=O)Cc2ccnc(Cl)c2)nnc1-c1ccccc1 Clc1cc(ccn1)[*:1] Cn1c(CS(=O)(=O)C[*:1])nnc1-c1ccccc1
Cn1c(CS(=O)(=O)Cc2ccnc(Cl)c2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(CS(=O)(=O)Cc2ccnc(Cl)c2)nnc1[*:1]
COc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4[N+](=O)[O-])cc3C2=O)c1 O=[N+]([O-])c1ccccc1[*:1] COc1cccc(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4[N+](=O)[O-])cc3C2=O)c1 O=[N+]([O-])[*:1] COc1cccc(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1[*:1]
COc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4[N+](=O)[O-])cc3C2=O)c1 COc1cccc(c1)[*:1] O=C(Nc1ccccc1[N+](=O)[O-])c1ccc2C(=O)N(C(=O)c2c1)[*:1]
COC(=O)/C=c1/sc2n(c1=O)[C@H](C)c1ccccc1N=2 COC(=O)[*:1] C[C@@H]1c2ccccc2N=c2sc(=C[*:1])c(=O)n21
C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O Fc1ccc(F)c(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O)[*:1]
C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O c1ccc2c(c[nH]c2c1)[*:1] C[C@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1cc(F)ccc1F
Cc1cnc2c(c1)nc(CCCl)n2-c1ccsc1 ClCC[*:1] Cc1cnc2c(c1)nc(n2-c1ccsc1)[*:1]
Cc1cnc2c(c1)nc(CCCl)n2-c1ccsc1 c1cc(cs1)[*:1] Cc1cnc2c(c1)nc(CCCl)n2[*:1]
CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)nc2)cc1 Clc1ccc(cn1)[*:1] CCNC(=O)c1ccc(cc1)CNS(=O)(=O)[*:1]
CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)nc2)cc1 CCNC(=O)[*:1] O=S(=O)(NCc1ccc(cc1)[*:1])c1ccc(Cl)nc1
CCn1cc(S(=O)(=O)[N-]c2ncc(Cc3ccc(C)c(F)c3)s2)cn1 CCn1cc(cn1)[*:1] Cc1ccc(cc1F)Cc1cnc([N-]S(=O)(=O)[*:1])s1
CCn1cc(S(=O)(=O)[N-]c2ncc(Cc3ccc(C)c(F)c3)s2)cn1 Cc1ccc(cc1F)[*:1] CCn1cc(cn1)S(=O)(=O)[N-]c1ncc(C[*:1])s1
CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(NN)c1 O=[N+]([O-])[*:1] CN(CC[NH+](C)C)Cc1ccc(c(c1)NN)[*:1]
Cc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccccc3Cl)c2=O)cc1 Cc1ccc(cc1)C[*:1] O=c1c2cccnc2n(Cc2ccccc2Cl)c(=O)n1[*:1]
Cc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccccc3Cl)c2=O)cc1 Clc1ccccc1C[*:1] Cc1ccc(cc1)Cn1c(=O)c2cccnc2n(c1=O)[*:1]
Cc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccccc3Cl)c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c2cccnc2n(Cc2ccccc2Cl)c(=O)n1C[*:1]
Cc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccccc3Cl)c2=O)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)Cn1c(=O)c2cccnc2n(C[*:1])c1=O
Cc1ccc(-c2n[nH]c(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)n2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)-c1n[nH]c(n1)NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(-c2n[nH]c(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)n2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)Nc1nc(n[nH]1)[*:1]
O=C(NC1CCCCC1)c1cccnc1Nc1ccccc1F Fc1ccccc1[*:1] O=C(NC1CCCCC1)c1cccnc1N[*:1]
O=C(NC1CCCCC1)c1cccnc1Nc1ccccc1F C1CCC(CC1)[*:1] O=C(N[*:1])c1cccnc1Nc1ccccc1F
COc1ccc([C@H](C(=O)[O-])c2ccc([O-])nn2)cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@H](c1ccc([O-])nn1)[*:1]
Cc1nn(CCC(=O)N2CCOC[C@H]2C2CC2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CCC(=O)N2CCOC[C@H]2C2CC2)c(C)c1[*:1]
Cc1nn(CCC(=O)N2CCOC[C@H]2C2CC2)c(C)c1[N+](=O)[O-] C1CC1[*:1] Cc1nn(CCC(=O)N2CCOC[C@@H]2[*:1])c(C)c1[N+](=O)[O-]
NC(=O)c1cn[nH]c1NC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 NC(=O)[*:1] O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1[nH]ncc1[*:1]
CCn1ncc(C(=O)NC[C@H](C)Oc2ccccc2)c1C(F)(F)F c1ccc(cc1)O[*:1] CCn1ncc(C(=O)NC[C@H](C)[*:1])c1C(F)(F)F
CCn1ncc(C(=O)NC[C@H](C)Oc2ccccc2)c1C(F)(F)F c1ccc(cc1)[*:1] CCn1ncc(C(=O)NC[C@H](C)O[*:1])c1C(F)(F)F
CCn1ncc(C(=O)NC[C@H](C)Oc2ccccc2)c1C(F)(F)F FC(F)(F)[*:1] CCn1ncc(C(=O)NC[C@H](C)Oc2ccccc2)c1[*:1]
O=C(Nc1nncs1)NC1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(Nc1nncs1)NC1CCN(CC1)C(=O)[*:1]
O=C(Nc1nncs1)NC1CCN(C(=O)c2ccco2)CC1 c1nnc(s1)[*:1] O=C(NC1CCN(CC1)C(=O)c1ccco1)N[*:1]
O=C(NCc1ccc(N2CCCC2)[nH+]c1)NCc1ccc[nH+]c1N1CCOCC1 C1CCN(C1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])NCc1ccc[nH+]c1N1CCOCC1
O=C(NCc1ccc(N2CCCC2)[nH+]c1)NCc1ccc[nH+]c1N1CCOCC1 C1CN(CCO1)[*:1] O=C(NCc1ccc([nH+]c1)N1CCCC1)NCc1ccc[nH+]c1[*:1]
O=C(Nc1nc2ccc(F)cc2s1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] O=C(Nc1nc2ccc(F)cc2s1)c1cccc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
O=C(Nc1nc2ccc(F)cc2s1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 Fc1ccc2nc(sc2c1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1
CCO[C@@H]1C[C@H]([NH3+])[C@@H]1[NH+](C)C CCO[*:1] C[NH+](C)[C@H]1[C@@H]([NH3+])C[C@H]1[*:1]
C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4sc5c(c4C(=O)NCc4ccco4)CCC5)no3)ccc2O1 c1coc(c1)C[*:1] C[C@@H]1Cc2cc(ccc2O1)-c1cc(no1)C(=O)Nc1sc2CCCc2c1C(=O)N[*:1]
C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4sc5c(c4C(=O)NCc4ccco4)CCC5)no3)ccc2O1 c1coc(c1)[*:1] C[C@@H]1Cc2cc(ccc2O1)-c1cc(no1)C(=O)Nc1sc2CCCc2c1C(=O)NC[*:1]
C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4sc5c(c4C(=O)NCc4ccco4)CCC5)no3)ccc2O1 O=C(NCc1ccco1)[*:1] C[C@@H]1Cc2cc(ccc2O1)-c1cc(no1)C(=O)Nc1sc2CCCc2c1[*:1]
S=C(NC[C@H]1CCCO1)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] S=C(NC[C@H]1CCCO1)Nc1ccc(cc1)[*:1]
S=C(NC[C@H]1CCCO1)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] S=C(NC[C@H]1CCCO1)Nc1ccc(cc1)O[*:1]
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](NC(=O)c1ccc(cc1F)[N+](=O)[O-])c1cccc(c1)[*:1]
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(N2CCCC2)c1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1ccc(cc1F)[*:1])c1cccc(c1)N1CCCC1
COc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 COc1ccc(cc1)[*:1] O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CC(=O)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NC(C)C)cc1Cl CC(C)[*:1] CCN(CC)C(=O)c1ccc(cc1Cl)NC(=O)C(=O)N[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NC(C)C)cc1Cl CCN(CC)C(=O)[*:1] CC(C)NC(=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCc1nn(C)c(CC)c1CN1CCO[C@@H](c2cccc(O)c2)C1 Oc1cccc(c1)[*:1] CCc1nn(C)c(CC)c1CN1CCO[C@@H](C1)[*:1]
C[C@@H]1CCC[C@](CCSc2ccccc2)(C(=O)[O-])C1 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@@](CCS[*:1])(C1)C(=O)[O-]
C[C@@H]1CCC[C@](CCSc2ccccc2)(C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1CCC[C@](CCSc2ccccc2)(C1)[*:1]
COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CCSC)N[C@]23C(=O)Nc2c(C)cc(Cl)cc23)c1 COc1ccc(OC)c(c1)[*:1] CSCC[C@H]1C[C@H](C(=O)N[*:1])[C@]2(N1)C(=O)Nc1c(C)cc(Cl)cc12
COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CCSC)N[C@]23C(=O)Nc2c(C)cc(Cl)cc23)c1 CSC[*:1] COc1ccc(OC)c(c1)NC(=O)[C@H]1C[C@H](C[*:1])N[C@]12C(=O)Nc1c(C)cc(Cl)cc12
COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CCSC)N[C@]23C(=O)Nc2c(C)cc(Cl)cc23)c1 CSCC[*:1] COc1ccc(OC)c(c1)NC(=O)[C@H]1C[C@H](N[C@]12C(=O)Nc1c(C)cc(Cl)cc12)[*:1]
CN(CCOCC1CC1)c1cncc(Cl)n1 C1CC1C[*:1] CN(CCO[*:1])c1cncc(Cl)n1
CN(CCOCC1CC1)c1cncc(Cl)n1 C1CC1[*:1] CN(CCOC[*:1])c1cncc(Cl)n1
CN(CCOCC1CC1)c1cncc(Cl)n1 C1CC1CO[*:1] CN(CC[*:1])c1cncc(Cl)n1
COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccnc2C)cc1 Cc1ncccc1[*:1] COc1ccc(cc1)[C@@H]1CCCCCN1C(=O)N[*:1]
COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccnc2C)cc1 COc1ccc(cc1)[*:1] Cc1ncccc1NC(=O)N1CCCCC[C@H]1[*:1]
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCc2ccccc21 CC(C)[*:1] O=C([C@@H](NS(=O)(=O)c1ccccc1F)[*:1])N1CCc2ccccc21
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCc2ccccc21 Fc1ccccc1[*:1] CC(C)[C@H](NS(=O)(=O)[*:1])C(=O)N1CCc2ccccc21
C=C1C(=O)O[C@H]2C[C@H](C)C(CCC(C)=O)=CC[C@@H]12 CC(=O)CC[*:1] C=C1C(=O)O[C@H]2C[C@H](C)C(=CC[C@@H]12)[*:1]
C=C1C(=O)O[C@H]2C[C@H](C)C(CCC(C)=O)=CC[C@@H]12 CC(=O)C[*:1] C=C1C(=O)O[C@H]2C[C@H](C)C(=CC[C@@H]12)C[*:1]
C=C1C(=O)O[C@H]2C[C@H](C)C(CCC(C)=O)=CC[C@@H]12 CC(=O)[*:1] C=C1C(=O)O[C@H]2C[C@H](C)C(=CC[C@@H]12)CC[*:1]
CCCCCSc1nncn1-c1cccc(NC(C)=O)c1 CCCC[*:1] CC(=O)Nc1cccc(c1)-n1cnnc1SC[*:1]
CCCCCSc1nncn1-c1cccc(NC(C)=O)c1 CCCCCS[*:1] CC(=O)Nc1cccc(c1)-n1cnnc1[*:1]
CCCCCSc1nncn1-c1cccc(NC(C)=O)c1 CCCCC[*:1] CC(=O)Nc1cccc(c1)-n1cnnc1S[*:1]
CCCCCSc1nncn1-c1cccc(NC(C)=O)c1 CC(=O)N[*:1] CCCCCSc1nncn1-c1cccc(c1)[*:1]
CCCCCSc1nncn1-c1cccc(NC(C)=O)c1 CCC[*:1] CC(=O)Nc1cccc(c1)-n1cnnc1SCC[*:1]
Brc1ccc2c(c1)NCCC[NH+]2C1CC1 C1CC1[*:1] Brc1ccc2c(c1)NCCC[NH+]2[*:1]
Cc1cccc(C(=O)N2CCc3[nH]cnc3C23CCCC3)c1 Cc1cccc(c1)[*:1] O=C(N1CCc2[nH]cnc2C12CCCC2)[*:1]
C1=NN=C(c2ccc(-c3ccccc3)cc2)[C@H]1C[NH2+]CCC1=CN=NC1 c1ccc(cc1)[*:1] C1=NN=C(c2ccc(cc2)[*:1])[C@H]1C[NH2+]CCC1=CN=NC1
CC(=O)Nc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1 CC(=O)N[*:1] O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccc(cc2)[*:1])c2ccccc21
C[C@H](O)CN(C)C(=O)NCc1ccc(Sc2ccccc2)cc1 c1ccc(cc1)S[*:1] C[C@H](O)CN(C)C(=O)NCc1ccc(cc1)[*:1]
C[C@H](O)CN(C)C(=O)NCc1ccc(Sc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H](O)CN(C)C(=O)NCc1ccc(cc1)S[*:1]
COc1ccc(F)c(NC(=O)NC[C@@H](O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)NC[C@@H](O)[*:1]
CC[C@@H](C)CSc1cc(N)ccc1Cl CC[C@@H](C)[*:1] Nc1ccc(Cl)c(c1)SC[*:1]
Cc1cc(C)c(S(=O)(=O)N(C)CCS(C)(=O)=O)c(C)c1 CS(=O)(=O)C[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(C)C[*:1]
Cc1cc(C)c(S(=O)(=O)N(C)CCS(C)(=O)=O)c(C)c1 CS(=O)(=O)CC[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(C)[*:1]
Cc1cc(C)c(S(=O)(=O)N(C)CCS(C)(=O)=O)c(C)c1 CS(=O)(=O)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CC[*:1]
O=C(c1c([O-])on[n+]1-c1ccccc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 c1ccc(cc1)[*:1] O=C(c1c([O-])on[n+]1[*:1])N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2
Cc1cn(CC(=O)Nc2[nH]ncc2C(N)=O)c2ccccc12 NC(=O)[*:1] Cc1cn(CC(=O)Nc2[nH]ncc2[*:1])c2ccccc12
COC(=O)c1ccc(C(=O)NNc2cccc(F)c2F)cc1 COC(=O)[*:1] O=C(NNc1cccc(F)c1F)c1ccc(cc1)[*:1]
CC(C)CC[C@](C)(O)CNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 CC(C)CC[C@](C)(O)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)NC[*:1]
CC(C)CC[C@](C)(O)CNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 CC(C)C[*:1] C[C@@](O)(CNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)C[*:1]
CC(C)CC[C@](C)(O)CNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 CC(C)CC[*:1] C[C@](O)(CNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
CC(C)CC[C@](C)(O)CNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 CC(C)[*:1] C[C@](O)(CC[*:1])CNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1
Cc1nnc2n1CCC[C@H]2NC(=O)Cc1ccc(OCC#N)cc1 N#CCO[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)Cc1ccc(cc1)[*:1]
Cc1nnc2n1CCC[C@H]2NC(=O)Cc1ccc(OCC#N)cc1 N#CC[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)Cc1ccc(cc1)O[*:1]
CC(C)C[C@@H]1COCCN1CC(=O)Nc1ccnn1Cc1cccs1 CC(C)C[*:1] O=C(CN1CCOC[C@H]1[*:1])Nc1ccnn1Cc1cccs1
CC(C)C[C@@H]1COCCN1CC(=O)Nc1ccnn1Cc1cccs1 CC(C)[*:1] O=C(CN1CCOC[C@H]1C[*:1])Nc1ccnn1Cc1cccs1
CC(C)C[C@@H]1COCCN1CC(=O)Nc1ccnn1Cc1cccs1 c1csc(c1)C[*:1] CC(C)C[C@@H]1COCCN1CC(=O)Nc1ccnn1[*:1]
CC(C)C[C@@H]1COCCN1CC(=O)Nc1ccnn1Cc1cccs1 c1csc(c1)[*:1] CC(C)C[C@@H]1COCCN1CC(=O)Nc1ccnn1C[*:1]
CCc1nc(C)ncc1C(=O)NC[C@@H](C)Oc1ccccc1F Fc1ccccc1[*:1] CCc1nc(C)ncc1C(=O)NC[C@@H](C)O[*:1]
CC[C@@H]1COCCN1[C@@H]1CC[C@]([NH2+]C(C)C)(C(=O)[O-])C1 CC(C)[*:1] CC[C@@H]1COCCN1[C@@H]1CC[C@](C1)([NH2+][*:1])C(=O)[O-]
CC[C@@H]1COCCN1[C@@H]1CC[C@]([NH2+]C(C)C)(C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H]1COCCN1[C@@H]1CC[C@@](C1)([NH2+]C(C)C)[*:1]
Cc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c(Cl)n1 Clc1ccc(cc1)[*:1] Cc1ccc(NC(=O)C(=O)NC[*:1])c(Cl)n1
Cc1ccc(-c2nc(C(=O)OCc3cnn(C)c3)cs2)c(C)c1 Cn1cc(cn1)[*:1] Cc1ccc(-c2nc(cs2)C(=O)OC[*:1])c(C)c1
Cc1ccc(-c2nc(C(=O)OCc3cnn(C)c3)cs2)c(C)c1 Cn1cc(cn1)C[*:1] Cc1ccc(-c2nc(cs2)C(=O)O[*:1])c(C)c1
c1cncc(-c2c[nH]c([C@@H]3COCCN3C3CCC3)[nH+]2)c1 c1cncc(c1)[*:1] c1[nH]c([nH+]c1[*:1])[C@@H]1COCCN1C1CCC1
c1cncc(-c2c[nH]c([C@@H]3COCCN3C3CCC3)[nH+]2)c1 C1CC(C1)[*:1] c1cncc(c1)-c1c[nH]c([nH+]1)[C@@H]1COCCN1[*:1]
COc1ccc(C(=O)NCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1 Cc1ccc(cc1)O[*:1] COc1ccc(cc1)C(=O)NCC(=O)Nc1ccccc1[*:1]
COc1ccc(C(=O)NCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NCC(=O)Nc1ccccc1O[*:1]
COc1ccc(C(=O)NCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)Oc1ccccc1NC(=O)CNC(=O)[*:1]
COCC[C@H](CO)c1cccc(F)c1 COCC[*:1] OC[C@H](c1cccc(F)c1)[*:1]
COCC[C@H](CO)c1cccc(F)c1 COC[*:1] OC[C@@H](C[*:1])c1cccc(F)c1
O=C1N=NC=C(N/N=C\c2cccs2)[C@@H]1Cl c1csc(c1)[*:1] O=C1N=NC=C(NN=C[*:1])[C@@H]1Cl
C[C@H](Cn1cc[nH+]c1)NC(=O)NCCc1csc(N2CCCC2)n1 C1CCN(C1)[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)NCCc1csc(n1)[*:1]
N#Cc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4cccs4)c3)C2=O)cc1 c1csc(c1)C[*:1] N#Cc1ccc(cc1)CN1CCCN(C1=O)c1cccc(c1)NC(=O)[*:1]
N#Cc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4cccs4)c3)C2=O)cc1 N#Cc1ccc(cc1)[*:1] O=C(Cc1cccs1)Nc1cccc(c1)N1CCCN(C[*:1])C1=O
N#Cc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4cccs4)c3)C2=O)cc1 O=C(Cc1cccs1)N[*:1] N#Cc1ccc(cc1)CN1CCCN(C1=O)c1cccc(c1)[*:1]
N#Cc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4cccs4)c3)C2=O)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)CN1CCCN(C1=O)c1cccc(c1)NC(=O)C[*:1]
N#Cc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4cccs4)c3)C2=O)cc1 N#Cc1ccc(cc1)C[*:1] O=C(Cc1cccs1)Nc1cccc(c1)N1CCCN(C1=O)[*:1]
CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc[n+]2[O-])C12CCCCC2 [O-][n+]1ccccc1[*:1] CCO[C@@H]1C[C@H](N(C)C(=O)[*:1])C12CCCCC2
CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc[n+]2[O-])C12CCCCC2 CCO[*:1] CN(C(=O)c1cccc[n+]1[O-])[C@H]1C[C@H](C12CCCCC2)[*:1]
CC(C)n1ncc2c(C(=O)N(C)C[C@@H](O)C3CC3)cc(C3CC3)nc21 C1CC1[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)N(C)C[C@@H](O)C1CC1
CC(C)n1ncc2c(C(=O)N(C)C[C@@H](O)C3CC3)cc(C3CC3)nc21 C1CC1[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)N(C)C[C@@H](O)[*:1]
CC(C)n1ncc2c(C(=O)N(C)C[C@@H](O)C3CC3)cc(C3CC3)nc21 CC(C)[*:1] CN(C[C@@H](O)C1CC1)C(=O)c1cc(nc2c1cnn2[*:1])C1CC1
COc1cccc([C@@H]2CC(O)=Nc3c2cnn3C)c1OCc1ccccc1F Fc1ccccc1C[*:1] COc1cccc(c1O[*:1])[C@@H]1CC(O)=Nc2c1cnn2C
COc1cccc([C@@H]2CC(O)=Nc3c2cnn3C)c1OCc1ccccc1F Fc1ccccc1CO[*:1] COc1cccc(c1[*:1])[C@@H]1CC(O)=Nc2c1cnn2C
COc1cccc([C@@H]2CC(O)=Nc3c2cnn3C)c1OCc1ccccc1F Fc1ccccc1[*:1] COc1cccc(c1OC[*:1])[C@@H]1CC(O)=Nc2c1cnn2C
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1C(=O)CNC1=O O=C1CNC(=O)N1[*:1] C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[*:1]
CN1CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2C1=O Clc1ccc(cc1)[*:1] CN1CCOc2ccc(cc2C1=O)NC(=O)C1(CCCC1)[*:1]
O=C(Nc1nonc1-c1ccc(Cl)cc1)[C@H]1COc2ccccc2O1 Clc1ccc(cc1)[*:1] O=C(Nc1nonc1[*:1])[C@H]1COc2ccccc2O1
COC(=O)[C@H]1OC2(O[C@H]1C(=O)OC)c1ccccc1-c1ccccc12 COC(=O)[*:1] COC(=O)[C@@H]1OC2(O[C@@H]1[*:1])c1ccccc1-c1ccccc12
C[C@@H](C[NH3+])c1nc([O-])c(-c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] C[C@@H](C[NH3+])c1nc([O-])c(c(=O)[nH]1)[*:1]
Cc1ccc(CNC(=O)NCc2ccc(C)cc2OC[C@@H]2CCOC2)cc1 Cc1ccc(cc1)C[*:1] Cc1ccc(CNC(=O)N[*:1])c(c1)OC[C@@H]1CCOC1
Cc1ccc(CNC(=O)NCc2ccc(C)cc2OC[C@@H]2CCOC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(CNC(=O)NC[*:1])c(c1)OC[C@@H]1CCOC1
CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCOCC1CC1 C1CC1COC[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N(C)C[*:1]
CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCOCC1CC1 C1CC1[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCOC[*:1]
CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCOCC1CC1 C1CC1CO[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N(C)CC[*:1]
CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCOCC1CC1 C1CC1C[*:1] CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCO[*:1]
CS(=O)(=O)N1CCC(C(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)c2ccccc2)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)NC[C@H](C1C[NH+]=c2ccccc2=1)[*:1]
CS(=O)(=O)N1CCC(C(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)c2ccccc2)CC1 CS(=O)(=O)N1CCC(CC1)[*:1] O=C(NC[C@H](C1C[NH+]=c2ccccc2=1)c1ccccc1)[*:1]
N#Cc1ccc(NC(=O)c2ccc(-n3ccnn3)cc2)cc1 c1cn(nn1)[*:1] N#Cc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NCc2ccccn2)cc1C Cc1ccc(cc1C)[*:1] O=C(C[C@H]1CSc2nc3c(cnn3[*:1])c(=O)n21)NCc1ccccn1
Cc1ccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NCc2ccccn2)cc1C O=C(NCc1ccccn1)[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3C[*:1]
Cc1ccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NCc2ccccn2)cc1C c1ccc(nc1)[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)NC[*:1]
Cc1ccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NCc2ccccn2)cc1C c1ccc(C[*:1])nc1 Cc1ccc(cc1C)-n1ncc2c(=O)n3c(nc21)SC[C@@H]3CC(=O)N[*:1]
Cn1nc(NC(=O)c2ccc(C(F)(F)F)cc2)c2c1NC(=O)C[C@H]2c1ccco1 c1coc(c1)[*:1] Cn1nc(NC(=O)c2ccc(cc2)C(F)(F)F)c2c1NC(=O)C[C@@H]2[*:1]
Cn1nc(NC(=O)c2ccc(C(F)(F)F)cc2)c2c1NC(=O)C[C@H]2c1ccco1 FC(F)(F)[*:1] Cn1nc(NC(=O)c2ccc(cc2)[*:1])c2c1NC(=O)C[C@H]2c1ccco1
CCCCCOCC(=O)Nc1cccc(N)c1C CCCCC[*:1] Cc1c(N)cccc1NC(=O)CO[*:1]
CCCCCOCC(=O)Nc1cccc(N)c1C CCC[*:1] Cc1c(N)cccc1NC(=O)COCC[*:1]
CCCCCOCC(=O)Nc1cccc(N)c1C CCCC[*:1] Cc1c(N)cccc1NC(=O)COC[*:1]
CCCCCOCC(=O)Nc1cccc(N)c1C CCCCCO[*:1] Cc1c(N)cccc1NC(=O)C[*:1]
C[C@@H](O)C[NH2+]CCc1ccccc1 C[C@@H](O)[*:1] c1ccc(cc1)CC[NH2+]C[*:1]
CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCOC)cc1 CCO[*:1] COCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(cc1)[*:1]
CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCOC)cc1 CCOc1ccc(cc1)[*:1] COCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1[*:1]
CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCOC)cc1 COCC[*:1] CCOc1ccc(cc1)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1[*:1]
CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCOC)cc1 COC[*:1] CCOc1ccc(cc1)[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1C[*:1]
Cc1cc(C(=O)C[C@H](C)CC(=O)[O-])ccc1F O=C([O-])[*:1] Cc1cc(ccc1F)C(=O)C[C@H](C)C[*:1]
Cc1cc(C(=O)C[C@H](C)CC(=O)[O-])ccc1F O=C([O-])C[*:1] Cc1cc(ccc1F)C(=O)C[C@H](C)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](Cc1ccc(F)cc1)n1nnnc1C CNC(=O)[C@@H](C)[*:1] Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N(C)C[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](Cc1ccc(F)cc1)n1nnnc1C CNC(=O)[C@@H](C)C[*:1] Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N(C)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](Cc1ccc(F)cc1)n1nnnc1C Fc1ccc(cc1)C[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](n1nnnc1C)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](Cc1ccc(F)cc1)n1nnnc1C CNC(=O)[*:1] Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N(C)C[C@H](C)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](Cc1ccc(F)cc1)n1nnnc1C Fc1ccc(cc1)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](C[*:1])n1nnnc1C
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](Cc1ccc(F)cc1)n1nnnc1C Cc1nnnn1[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](Cc1ccc(F)cc1)[*:1]
O=C(COc1ccc2cc(Br)ccc2c1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COc1ccc2cc(Br)ccc2c1)N[*:1]
CC(C)(NC(=O)Cn1ccnc1)c1cccc(Cl)c1 c1cn(cn1)[*:1] CC(C)(NC(=O)C[*:1])c1cccc(Cl)c1
CC(C)(NC(=O)Cn1ccnc1)c1cccc(Cl)c1 c1cn(cn1)C[*:1] CC(C)(NC(=O)[*:1])c1cccc(Cl)c1
CCN(C[C@H]1CCCO1)c1nc(OC)nc(N2CCCCCC2)n1 C1CCCN(CC1)[*:1] CCN(C[C@H]1CCCO1)c1nc(nc(n1)[*:1])OC
CCN(C[C@H]1CCCO1)c1nc(OC)nc(N2CCCCCC2)n1 C1CO[C@H](C1)C[*:1] CCN(c1nc(nc(n1)N1CCCCCC1)OC)[*:1]
CCC[C@@H](O)c1ccn(CC(=O)Nc2ccc(Cl)cc2)c1 CCC[*:1] O=C(Cn1ccc(c1)[C@H](O)[*:1])Nc1ccc(Cl)cc1
CCC[C@@H](O)c1ccn(CC(=O)Nc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CCC[C@@H](O)c1ccn(c1)CC(=O)N[*:1]
Cl[C@@H](CC[C@H]1CCOC2(CCOCC2)C1)c1ccccc1 c1ccc(cc1)[*:1] Cl[C@@H](CC[C@H]1CCOC2(CCOCC2)C1)[*:1]
Nc1c(Nc2ccc(Cl)cn2)ncnc1N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Nc1c(ncnc1N1CCN(CC1)[*:1])Nc1ccc(Cl)cn1
Nc1c(Nc2ccc(Cl)cn2)ncnc1N1CCN(c2ccccc2)CC1 Clc1ccc(nc1)N[*:1] Nc1c(ncnc1[*:1])N1CCN(CC1)c1ccccc1
Nc1c(Nc2ccc(Cl)cn2)ncnc1N1CCN(c2ccccc2)CC1 Clc1ccc(nc1)[*:1] Nc1c(ncnc1N1CCN(CC1)c1ccccc1)N[*:1]
CC(C)c1csc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 O=S1(=O)CCCN1[*:1] CC(C)c1csc(n1)NC(=O)c1ccc(cc1)[*:1]
CC(C)c1csc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 CC(C)c1csc(n1)[*:1] O=C(N[*:1])c1ccc(cc1)N1CCCS1(=O)=O
CC(C)c1csc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 CC(C)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(cc1)N1CCCS1(=O)=O
CCOC(=O)C1(C)CCN(C(=O)C(CC)CC)CC1 CCOC(=O)[*:1] CCC(CC)C(=O)N1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)C(CC)CC)CC1 CCC(CC)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[*:1]
Nn1c(SCC(=O)N/N=C/c2ccccc2F)nnc1-c1ccccc1 Fc1ccccc1[*:1] Nn1c(nnc1-c1ccccc1)SCC(=O)NN=C[*:1]
Nn1c(SCC(=O)N/N=C/c2ccccc2F)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCC(=O)N/N=C/c1ccccc1F
COC[C@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)[*:1]
COC[C@H](NC(=O)[C@H](C)Oc1cccc(Br)c1)C(N)=O COC[*:1] C[C@H](Oc1cccc(Br)c1)C(=O)N[C@H](C(N)=O)[*:1]
COc1ccccc1C(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 NC(=O)c1nnn(n1)[*:1] COc1ccccc1C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1C(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 NC(=O)[*:1] COc1ccccc1C(=O)Nc1ccc(cc1)-n1nnc(n1)[*:1]
COc1ccccc1C(=O)Nc1ccc(-n2nnc(C(N)=O)n2)cc1 COc1ccccc1[*:1] NC(=O)c1nnn(n1)-c1ccc(cc1)NC(=O)[*:1]
Cc1nc(CNC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)no1 Cc1nc(no1)[*:1] CC(C)(C)Sc1ccc(cc1)NC(=O)C(=O)NC[*:1]
Cc1nc(CNC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)no1 CC(C)(C)S[*:1] Cc1nc(CNC(=O)C(=O)Nc2ccc(cc2)[*:1])no1
Cc1nc(CNC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)no1 CC(C)(C)[*:1] Cc1nc(CNC(=O)C(=O)Nc2ccc(cc2)S[*:1])no1
Cc1nc(CNC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)no1 Cc1nc(C[*:1])no1 CC(C)(C)Sc1ccc(cc1)NC(=O)C(=O)N[*:1]
CCNc1ncccc1C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] CCNc1ncccc1C(=O)N(C)[C@@H](C)[*:1]
CCNc1ncccc1C(=O)N(C)[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] CCNc1ncccc1C(=O)N(C)[C@@H](C)C[*:1]
CCNc1ncccc1C(=O)N(C)[C@@H](C)Cc1cccs1 CCN[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)c1cccnc1[*:1]
Cc1occc1C[NH+](C)Cc1c(Cl)nc2sccn12 Cc1occc1[*:1] C[NH+](Cc1c(Cl)nc2sccn12)C[*:1]
CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)s1 O=C(c1ccccc1)[*:1] CO[C@H](C)c1nc(C)c(s1)C(=O)N1CCC[C@@H]1C[*:1]
CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] CO[C@H](C)c1nc(C)c(s1)C(=O)N1CCC[C@@H]1CC(=O)[*:1]
CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)s1 CO[C@H](C)[*:1] Cc1nc(sc1C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1)[*:1]
Cc1cc(O[C@@H](C)C(=O)Oc2cccc(-n3cnnn3)c2)ccc1Cl Cc1cc(ccc1Cl)[*:1] C[C@H](O[*:1])C(=O)Oc1cccc(c1)-n1cnnn1
Cc1cc(O[C@@H](C)C(=O)Oc2cccc(-n3cnnn3)c2)ccc1Cl c1nnnn1[*:1] Cc1cc(ccc1Cl)O[C@@H](C)C(=O)Oc1cccc(c1)[*:1]
CCS(=O)(=O)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 C1CCN(CC1)[*:1] CCS(=O)(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
CC(C)C1CCN(c2ccc3nnnn3n2)CC1 CC(C)[*:1] c1cc2nnnn2nc1N1CCC(CC1)[*:1]
Cc1ccccc1-c1nnc(S[C@H](C(=O)NC(C)(C)C)C(C)C)n1C CC(C)(C)[*:1] Cc1ccccc1-c1nnc(S[C@H](C(=O)N[*:1])C(C)C)n1C
Cc1ccccc1-c1nnc(S[C@H](C(=O)NC(C)(C)C)C(C)C)n1C CC(C)[*:1] Cc1ccccc1-c1nnc(S[C@H](C(=O)NC(C)(C)C)[*:1])n1C
Cc1ccccc1-c1nnc(S[C@H](C(=O)NC(C)(C)C)C(C)C)n1C Cc1ccccc1[*:1] CC(C)[C@H](Sc1nnc(n1C)[*:1])C(=O)NC(C)(C)C
Cc1ccccc1-c1nnc(S[C@H](C(=O)NC(C)(C)C)C(C)C)n1C CC(C)(C)NC(=O)[*:1] Cc1ccccc1-c1nnc(S[C@H](C(C)C)[*:1])n1C
C=CCCCOCc1csc(C(=O)NN)n1 NNC(=O)[*:1] C=CCCCOCc1csc(n1)[*:1]
C=CCCCOCc1csc(C(=O)NN)n1 C=CC[*:1] NNC(=O)c1nc(cs1)COCC[*:1]
C=CCCCOCc1csc(C(=O)NN)n1 C=CCCC[*:1] NNC(=O)c1nc(cs1)CO[*:1]
C=CCCCOCc1csc(C(=O)NN)n1 C=CCC[*:1] NNC(=O)c1nc(cs1)COC[*:1]
Cc1nn(CC(=O)N2CCN(Cc3cccnc3)CC2)c(C)c1Cl c1cncc(c1)[*:1] Cc1nn(CC(=O)N2CCN(CC2)C[*:1])c(C)c1Cl
Cc1nn(CC(=O)N2CCN(Cc3cccnc3)CC2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cccnc1
Cc1nn(CC(=O)N2CCN(Cc3cccnc3)CC2)c(C)c1Cl c1cncc(c1)C[*:1] Cc1nn(CC(=O)N2CCN(CC2)[*:1])c(C)c1Cl
O=C1CC[C@@H](c2nc3ccccc3[nH]2)N1Cc1csc(-c2ccccc2)n1 c1ccc2[nH]c(nc2c1)[*:1] O=C1CC[C@@H](N1Cc1csc(n1)-c1ccccc1)[*:1]
O=C1CC[C@@H](c2nc3ccccc3[nH]2)N1Cc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C1CC[C@@H](c2nc3ccccc3[nH]2)N1Cc1csc(n1)[*:1]
Cc1ccc(Cl)cc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(Cl)cc1NC(=O)CSCc1ccc(cc1)[*:1]
Cc1ccc2oc(C(=O)C3=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]3c3ccccc3F)cc2c1 Fc1ccccc1[*:1] Cc1ccc2oc(cc2c1)C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@H]1[*:1]
Cc1ccc2oc(C(=O)C3=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]3c3ccccc3F)cc2c1 Cc1ccc2oc(cc2c1)[*:1] C[NH+](C)CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccccc1F
NC(=O)c1ccc(/C=C/C(=O)NCc2ccccc2-n2ccnc2)cc1 c1cn(cn1)[*:1] NC(=O)c1ccc(/C=C/C(=O)NCc2ccccc2[*:1])cc1
NC(=O)c1ccc(/C=C/C(=O)NCc2ccccc2-n2ccnc2)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NCc1ccccc1-n1ccnc1
Cc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl Cc1cccc(C)c1[*:1] O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N[*:1]
COc1cc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc(OC)c1 c1cncc(c1)[*:1] COc1cc(cc(c1)OC)NC(=O)c1cc(nc2ccccc12)[*:1]
CCOc1ccccc1N1C[C@H](C(=O)N2CCC(C)(C)C2)CC1=O CCO[*:1] CC1(C)CCN(C1)C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1[*:1]
COc1cc(-c2noc(-c3sc(CC(C)C)nc3C)n2)ccn1 CC(C)[*:1] COc1cc(ccn1)-c1noc(n1)-c1sc(C[*:1])nc1C
COc1cc(-c2noc(-c3sc(CC(C)C)nc3C)n2)ccn1 CC(C)C[*:1] COc1cc(ccn1)-c1noc(n1)-c1sc(nc1C)[*:1]
NC1=[NH+]C[C@H]([C@H]2CCCOC2)N1c1cccc(F)c1 C1COC[C@H](C1)[*:1] NC1=[NH+]C[C@H](N1c1cccc(F)c1)[*:1]
O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@H]1CCN1CCOCC1 Fc1ccc(cc1Cl)[*:1] O=C(N1CCCC[C@H]1CCN1CCOCC1)[*:1]
O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@H]1CCN1CCOCC1 C1CN(CCO1)[*:1] O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@H]1CC[*:1]
O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@H]1CCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@@H]1[*:1]
O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@H]1CCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@H]1C[*:1]
Cc1ccccc1-n1cc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cn1 CN(C)C(=O)C[*:1] Cc1ccccc1-n1cc(cn1)C(=O)NC1CC[NH+](CC1)[*:1]
Cc1ccccc1-n1cc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cn1 Cc1ccccc1[*:1] CN(C)C(=O)C[NH+]1CCC(CC1)NC(=O)c1cnn(c1)[*:1]
Cc1ccccc1-n1cc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cn1 CN(C)C(=O)[*:1] Cc1ccccc1-n1cc(cn1)C(=O)NC1CC[NH+](CC1)C[*:1]
O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)N1CCC(CC1)[*:1]
O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CCC(c2ccccc2)CC1 C1CC1[*:1] O=C(Nc1ccc2nc(oc2c1)[*:1])N1CCC(CC1)c1ccccc1
O=C(CCNC(=O)C1CCCCC1)Nc1cccc(N2CCCNC2=O)c1 C1CCC(CC1)[*:1] O=C(CCNC(=O)[*:1])Nc1cccc(c1)N1CCCNC1=O
O=C(CCNC(=O)C1CCCCC1)Nc1cccc(N2CCCNC2=O)c1 O=C(N[*:1])C1CCCCC1 O=C(CC[*:1])Nc1cccc(c1)N1CCCNC1=O
O=C(CCNC(=O)C1CCCCC1)Nc1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] O=C(CCNC(=O)C1CCCCC1)Nc1cccc(c1)[*:1]
CC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2cc(C)oc2C)cc1 CC(=O)[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2cc(C)oc2C)cc1 Cc1cc(c(C)o1)[*:1] CC(=O)c1ccc(cc1)NC(=O)C(=O)N[C@H](C)[*:1]
CCc1ccccc1NC(=O)CCn1cc([C@@H]2CCC[NH2+]C2)nn1 CCc1ccccc1[*:1] O=C(CCn1cc(nn1)[C@@H]1CCC[NH2+]C1)N[*:1]
C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)N[*:1]
Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c(N3CCN(C(=O)C4CC4)CC3)ccnc21 Fc1ccccc1C[*:1] Cn1c(=O)n(c(=O)c2c(ccnc21)N1CCN(CC1)C(=O)C1CC1)[*:1]
Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c(N3CCN(C(=O)C4CC4)CC3)ccnc21 C1CC1[*:1] Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c(ccnc21)N1CCN(CC1)C(=O)[*:1]
Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c(N3CCN(C(=O)C4CC4)CC3)ccnc21 Fc1ccccc1[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c(ccnc21)N1CCN(CC1)C(=O)C1CC1
CC(=O)c1c(F)cccc1NCCc1ccccc1[N+](=O)[O-] CC(=O)[*:1] O=[N+]([O-])c1ccccc1CCNc1cccc(F)c1[*:1]
CC(=O)c1c(F)cccc1NCCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=O)c1c(F)cccc1NCCc1ccccc1[*:1]
CN(C)c1cc(N2CCC[C@@H]([NH3+])C2)ncn1 CN(C)[*:1] [NH3+][C@@H]1CCCN(C1)c1cc(ncn1)[*:1]
COc1cccc([C@@H](CO)NC(=O)CSc2ccc3ccccc3c2)c1 COc1cccc(c1)[*:1] O=C(CSc1ccc2ccccc2c1)N[C@H](CO)[*:1]
COCc1cc(NC(=O)NCC[NH+]2CCc3ccccc3C2)ncn1 COC[*:1] O=C(NCC[NH+]1CCc2ccccc2C1)Nc1cc(ncn1)[*:1]
N/C(=N/O)c1c(F)cccc1N1CC[C@H](O)C1 N/C(=N/O)[*:1] O[C@H]1CCN(C1)c1cccc(F)c1[*:1]
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(N[C@H](C1CC1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 C1CC1[*:1] O=C(N[C@H](c1ccc(Cl)cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
CCN(CC)C(=O)Cc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 O=[N+]([O-])[*:1] CCN(CC)C(=O)Cc1ccc(cc1)/N=C/c1cc(Cl)cc(c1[O-])[*:1]
CCN(CC)C(=O)Cc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 CCN(CC)C(=O)[*:1] O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(cc2)C[*:1])c1[O-]
CCN(CC)C(=O)Cc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 CCN(CC)C(=O)C[*:1] O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(cc2)[*:1])c1[O-]
Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3ccc4c(c3)OCCCO4)c(C)c12 c1coc(c1)[*:1] Cc1nc(nc2sc(C(=O)Nc3ccc4OCCCOc4c3)c(C)c12)[*:1]
COc1ccccc1-c1noc(C)c1C(=O)N1CCC[C@H](COc2ccccc2F)C1 COc1ccccc1[*:1] Cc1onc(c1C(=O)N1CCC[C@H](COc2ccccc2F)C1)[*:1]
COc1ccccc1-c1noc(C)c1C(=O)N1CCC[C@H](COc2ccccc2F)C1 Fc1ccccc1OC[*:1] COc1ccccc1-c1noc(C)c1C(=O)N1CCC[C@H](C1)[*:1]
COc1ccccc1-c1noc(C)c1C(=O)N1CCC[C@H](COc2ccccc2F)C1 Fc1ccccc1[*:1] COc1ccccc1-c1noc(C)c1C(=O)N1CCC[C@H](CO[*:1])C1
COc1ccccc1-c1noc(C)c1C(=O)N1CCC[C@H](COc2ccccc2F)C1 Fc1ccccc1O[*:1] COc1ccccc1-c1noc(C)c1C(=O)N1CCC[C@@H](C1)C[*:1]
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2O)c1 Oc1ccccc1[*:1] CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2O)c1 C1CCC(CC1)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)Nc1ccccc1O)[*:1]
CCOC(=O)[C@@]1(NC)CC[C@H](Oc2ccccc2CC)C1 CCOC(=O)[*:1] CCc1ccccc1O[C@H]1CC[C@@](C1)(NC)[*:1]
C/[NH+]=C(\NCc1ccc([N+](=O)[O-])cc1)NCc1ccnn1C Cn1nccc1[*:1] C/[NH+]=C(\NCc1ccc(cc1)[N+](=O)[O-])NC[*:1]
C/[NH+]=C(\NCc1ccc([N+](=O)[O-])cc1)NCc1ccnn1C O=[N+]([O-])[*:1] C/[NH+]=C(\NCc1ccc(cc1)[*:1])NCc1ccnn1C
C/[NH+]=C(\NCc1ccc([N+](=O)[O-])cc1)NCc1ccnn1C Cn1nccc1C[*:1] C/[NH+]=C(\NCc1ccc(cc1)[N+](=O)[O-])N[*:1]
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/C=C/c2ccc(OC)cc2)C1=O COc1ccc(cc1)[*:1] CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/C=C[*:1])C1=O
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/C=C/c2ccc(OC)cc2)C1=O CCOC(=O)[*:1] COc1ccc(/C=C/C=C2/SC(=O)N(C2=O)[C@H](C)[*:1])cc1
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/C=C/c2ccc(OC)cc2)C1=O CCOC(=O)[C@@H](C)[*:1] COc1ccc(/C=C/C=C2/SC(=O)N(C2=O)[*:1])cc1
C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)NNC(=O)C2CCC2)C1 C1CC(C1)[*:1] C[C@@H]1CC(C)(C)C[C@](CO)(C1)[NH2+]CC(=O)NNC(=O)[*:1]
CC(C)C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C(=O)Nc1cc[nH]n1 CC(C)C[*:1] CN1CC(=O)N(CC(=O)N[C@H](C(=O)Nc2cc[nH]n2)[*:1])C1=O
CC(C)C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C(=O)Nc1cc[nH]n1 CC(C)[*:1] CN1CC(=O)N(CC(=O)N[C@@H](C[*:1])C(=O)Nc2cc[nH]n2)C1=O
CC(C)C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C(=O)Nc1cc[nH]n1 c1cc(n[nH]1)[*:1] CC(C)C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C(=O)N[*:1]
CC(C)C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C(=O)Nc1cc[nH]n1 O=C(Nc1cc[nH]n1)[*:1] CC(C)C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)[*:1]
CC(C)C[C@H](NC(=O)CN1C(=O)CN(C)C1=O)C(=O)Nc1cc[nH]n1 CN1CC(=O)N(C1=O)[*:1] CC(C)C[C@H](NC(=O)C[*:1])C(=O)Nc1cc[nH]n1
COc1ccc([C@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1OC Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1OC)[C@H](O)CN1CCN(CC1)[*:1]
CCC[C@@H](CC(=O)Nc1cn[nH]c1)n1cc[nH+]c1 c1n[nH]cc1[*:1] CCC[C@@H](CC(=O)N[*:1])n1cc[nH+]c1
CCC[C@@H](CC(=O)Nc1cn[nH]c1)n1cc[nH+]c1 CCC[*:1] O=C(C[C@@H](n1cc[nH+]c1)[*:1])Nc1cn[nH]c1
CCOC(=O)C[C@H]1CCCCN1C(=O)c1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCOC(=O)C[C@H]1CCCCN1C(=O)c1cccc(c1)[*:1]
CCOC(=O)C[C@H]1CCCCN1C(=O)c1cccc(S(C)(=O)=O)c1 CCOC(=O)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N1CCCC[C@@H]1C[*:1]
CCOC(=O)C[C@H]1CCCCN1C(=O)c1cccc(S(C)(=O)=O)c1 CCOC(=O)C[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N1CCCC[C@@H]1[*:1]
CC/[NH+]=C(/NCc1cc(CC)no1)N1CCc2ccccc21 CCc1cc(on1)[*:1] CC/[NH+]=C(/NC[*:1])N1CCc2ccccc21
Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccccc1N1C(=O)CCC1=O)C2 O=C1CCC(=O)N1[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)Nc1ccccc1[*:1]
CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CC#N)cc1 N#CC[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(cc1)[*:1]
CC(C)[NH2+]Cc1ccc(OC[C@@H](C)O)cn1 C[C@@H](O)CO[*:1] CC(C)[NH2+]Cc1ccc(cn1)[*:1]
CC(C)[NH2+]Cc1ccc(OC[C@@H](C)O)cn1 C[C@@H](O)[*:1] CC(C)[NH2+]Cc1ccc(cn1)OC[*:1]
CC(C)[NH2+]Cc1ccc(OC[C@@H](C)O)cn1 CC(C)[*:1] C[C@@H](O)COc1ccc(C[NH2+][*:1])nc1
CC(C)[NH2+]Cc1ccc(OC[C@@H](C)O)cn1 C[C@@H](O)C[*:1] CC(C)[NH2+]Cc1ccc(cn1)O[*:1]
O=S(=O)(Cc1coc(-c2ccccc2)n1)Cc1nc(C2CC2)no1 C1CC1[*:1] O=S(=O)(Cc1coc(n1)-c1ccccc1)Cc1nc(no1)[*:1]
O=S(=O)(Cc1coc(-c2ccccc2)n1)Cc1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] O=S(=O)(Cc1coc(n1)-c1ccccc1)C[*:1]
O=S(=O)(Cc1coc(-c2ccccc2)n1)Cc1nc(C2CC2)no1 c1ccc(cc1)[*:1] O=S(=O)(Cc1coc(n1)[*:1])Cc1nc(no1)C1CC1
Cc1csc(S[C@@H](C)C(=O)NC(=O)NCc2cccs2)n1 Cc1csc(n1)[*:1] C[C@H](S[*:1])C(=O)NC(=O)NCc1cccs1
Cc1csc(S[C@@H](C)C(=O)NC(=O)NCc2cccs2)n1 Cc1csc(n1)S[*:1] C[C@@H](C(=O)NC(=O)NCc1cccs1)[*:1]
Cc1csc(S[C@@H](C)C(=O)NC(=O)NCc2cccs2)n1 c1csc(c1)C[*:1] Cc1csc(n1)S[C@@H](C)C(=O)NC(=O)N[*:1]
Cc1csc(S[C@@H](C)C(=O)NC(=O)NCc2cccs2)n1 c1csc(c1)[*:1] Cc1csc(n1)S[C@@H](C)C(=O)NC(=O)NC[*:1]
Cc1cc(F)cc(N[C@H](C#N)c2cc(Br)cs2)c1 Brc1csc(c1)[*:1] Cc1cc(F)cc(c1)N[C@H](C#N)[*:1]
CC[C@](C)(NC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)c1cc(Cl)c(Cl)[nH]1)[*:1]
O=C(Cn1c(=O)ccn(Cc2ccccc2Cl)c1=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cn1c(=O)ccn(Cc2ccccc2Cl)c1=O)N[*:1]
O=C(Cn1c(=O)ccn(Cc2ccccc2Cl)c1=O)Nc1cccc(F)c1 Clc1ccccc1C[*:1] O=C(Cn1c(=O)ccn(c1=O)[*:1])Nc1cccc(F)c1
O=C(Cn1c(=O)ccn(Cc2ccccc2Cl)c1=O)Nc1cccc(F)c1 Clc1ccccc1[*:1] O=C(Cn1c(=O)ccn(C[*:1])c1=O)Nc1cccc(F)c1
CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(Br)c2)cc1 CNC(=O)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1cccc(Br)c1
CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] CNC(=O)c1ccc(cc1)C[NH2+][C@@H](C)[*:1]
c1nc(NCCc2nc(C3CC3)no2)cc(C2CC2)n1 C1CC1[*:1] c1nc(cc(n1)C1CC1)NCCc1nc(no1)[*:1]
c1nc(NCCc2nc(C3CC3)no2)cc(C2CC2)n1 C1CC1[*:1] c1nc(cc(n1)[*:1])NCCc1nc(no1)C1CC1
CC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1 c1ccc(C[*:1])nc1 CC[C@H]([NH2+]C1CCN(CC1)[*:1])c1ccccc1
CC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1 c1ccc(nc1)[*:1] CC[C@H]([NH2+]C1CCN(CC1)C[*:1])c1ccccc1
CC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]([NH2+]C1CCN(CC1)Cc1ccccn1)[*:1]
CCn1ccc2ccc(C[NH+]3CCCN(C(=O)COC)CC3)cc21 COC[*:1] CCn1ccc2ccc(cc21)C[NH+]1CCCN(CC1)C(=O)[*:1]
C[NH2+][C@H](c1ccn(C[C@@H]2CCCO2)c1)C1CC1 C1CO[C@@H](C1)[*:1] C[NH2+][C@H](c1ccn(c1)C[*:1])C1CC1
C[NH2+][C@H](c1ccn(C[C@@H]2CCCO2)c1)C1CC1 C1CC1[*:1] C[NH2+][C@H](c1ccn(c1)C[C@@H]1CCCO1)[*:1]
C[S@](=O)CCNC(=O)Nc1c(F)cccc1Br C[S@](=O)CC[*:1] O=C(Nc1c(F)cccc1Br)N[*:1]
CCCCC(=O)c1cc(C)cc(F)c1 CCC[*:1] Cc1cc(F)cc(c1)C(=O)C[*:1]
CCCCC(=O)c1cc(C)cc(F)c1 CCCC[*:1] Cc1cc(F)cc(c1)C(=O)[*:1]
C[C@@H](OC[C@@H]1CCCO1)C(=O)[C@@H](C#N)c1nc2ccccc2s1 C1CO[C@@H](C1)[*:1] C[C@@H](OC[*:1])C(=O)[C@@H](C#N)c1nc2ccccc2s1
C[C@@H](OC[C@@H]1CCCO1)C(=O)[C@@H](C#N)c1nc2ccccc2s1 C1CO[C@@H](C1)C[*:1] C[C@@H](O[*:1])C(=O)[C@@H](C#N)c1nc2ccccc2s1
C[C@@H](OC[C@@H]1CCCO1)C(=O)[C@@H](C#N)c1nc2ccccc2s1 C1CO[C@@H](C1)CO[*:1] C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2s1)[*:1]
CC(C)[C@@H](CNC(=O)Nc1cccc(Cl)c1N(C)C)N1CCOCC1 CC(C)[*:1] CN(C)c1c(Cl)cccc1NC(=O)NC[C@@H](N1CCOCC1)[*:1]
CC(C)[C@@H](CNC(=O)Nc1cccc(Cl)c1N(C)C)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@@H](CNC(=O)Nc1cccc(Cl)c1N(C)C)[*:1]
CC(C)[C@@H](CNC(=O)Nc1cccc(Cl)c1N(C)C)N1CCOCC1 CN(C)[*:1] CC(C)[C@@H](CNC(=O)Nc1cccc(Cl)c1[*:1])N1CCOCC1
Cc1ccccc1-n1cnnc1SCc1cc(=O)oc2c(C)c(C)ccc12 Cc1ccccc1[*:1] Cc1ccc2c(cc(=O)oc2c1C)CSc1nncn1[*:1]
COc1cc(C(C)=O)ccc1OC(=O)[C@@H]1CCCO1 CC(=O)[*:1] COc1cc(ccc1OC(=O)[C@@H]1CCCO1)[*:1]
COc1cc(C(C)=O)ccc1OC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COc1cc(ccc1OC(=O)[*:1])C(C)=O
COCCN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2O)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)c1cc(ccc1O)Cc1ccccc1
COCCN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2O)CC1=O COCC[*:1] O=C(c1cc(ccc1O)Cc1ccccc1)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2O)CC1=O c1ccc(cc1)C[*:1] COCCN1CCN(CC1=O)C(=O)c1cc(ccc1O)[*:1]
COCCN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2O)CC1=O c1ccc(cc1)[*:1] COCCN1CCN(CC1=O)C(=O)c1cc(ccc1O)C[*:1]
CC(C)C(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1 CC(C)C(=O)N[*:1] O=[N+]([O-])c1ccc(NCc2cccc(c2)[*:1])c(Cl)c1
CC(C)C(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1 O=[N+]([O-])[*:1] CC(C)C(=O)Nc1cccc(c1)CNc1ccc(cc1Cl)[*:1]
CC(C)C(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1 CC(C)[*:1] O=C(Nc1cccc(c1)CNc1ccc(cc1Cl)[N+](=O)[O-])[*:1]
C[C@H]1CCC[C@@H]1n1c(SCC(=O)[O-])nc2cnccc21 C[C@H]1CCC[C@H]1[*:1] O=C([O-])CSc1nc2cnccc2n1[*:1]
C[C@H]1CCC[C@@H]1n1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])C[*:1] C[C@H]1CCC[C@@H]1n1c(nc2cnccc21)S[*:1]
C[C@H]1CCC[C@@H]1n1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])[*:1] C[C@H]1CCC[C@@H]1n1c(nc2cnccc21)SC[*:1]
C[C@H]1CCC[C@@H]1n1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])CS[*:1] C[C@H]1CCC[C@@H]1n1c(nc2cnccc21)[*:1]
C=CCc1ccccc1OC(=O)c1cc(N2CCNC2=O)c(F)cc1F C=CC[*:1] O=C(Oc1ccccc1[*:1])c1cc(c(F)cc1F)N1CCNC1=O
C=CCc1ccccc1OC(=O)c1cc(N2CCNC2=O)c(F)cc1F O=C1NCCN1[*:1] C=CCc1ccccc1OC(=O)c1cc(c(F)cc1F)[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 CC(C)[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCN(CC1)CC(=O)N[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 Oc1ccc(cc1)C[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)N[C@@H](C)[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 CC(C)NC(=O)[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCN(CC1)C[*:1]
CC(C)NC(=O)CN1CCN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 CC(C)NC(=O)C[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCN(CC1)[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)C2=CCCCO2)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)NC(=O)C1=CCCCO1)N[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)C2=CCCCO2)cc1 CC(C)NC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])C1=CCCCO1
CC(C)NC(=O)Cc1ccc(NC(=O)C2=CCCCO2)cc1 CC(C)NC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])C1=CCCCO1
O=C(CSC1=[NH+][C@@H](C(F)(F)F)C[C@@H](c2ccco2)N1)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CSC1N[C@@H](C[C@@H]([NH+]=1)C(F)(F)F)c1ccco1)N[*:1]
O=C(CSC1=[NH+][C@@H](C(F)(F)F)C[C@@H](c2ccco2)N1)NCc1ccc(F)cc1 c1coc(c1)[*:1] O=C(CSC1N[C@H](C[C@@H]([NH+]=1)C(F)(F)F)[*:1])NCc1ccc(F)cc1
O=C(CSC1=[NH+][C@@H](C(F)(F)F)C[C@@H](c2ccco2)N1)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSC1N[C@@H](C[C@@H]([NH+]=1)C(F)(F)F)c1ccco1)NC[*:1]
O=C(CSC1=[NH+][C@@H](C(F)(F)F)C[C@@H](c2ccco2)N1)NCc1ccc(F)cc1 FC(F)(F)[*:1] O=C(CSC1N[C@@H](C[C@H]([NH+]=1)[*:1])c1ccco1)NCc1ccc(F)cc1
O=C([O-])c1cc(Cl)ccc1N1C(=O)CC2(CCCC2)C1=O O=C([O-])[*:1] O=C1CC2(CCCC2)C(=O)N1c1ccc(Cl)cc1[*:1]
CC(C)[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@H](CNC(=O)N1CCC(CC1)CC[NH+](C)C)[*:1]
CC(C)[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)N1CCOCC1 CC(C)[*:1] C[NH+](C)CCC1CCN(CC1)C(=O)NC[C@H](N1CCOCC1)[*:1]
C[C@H](CCC(C)(C)C)NS(=O)(=O)N1CCCCC1 CC(C)(C)C[*:1] C[C@H](C[*:1])NS(=O)(=O)N1CCCCC1
C[C@H](CCC(C)(C)C)NS(=O)(=O)N1CCCCC1 CC(C)(C)[*:1] C[C@H](CC[*:1])NS(=O)(=O)N1CCCCC1
C[C@H](CCC(C)(C)C)NS(=O)(=O)N1CCCCC1 CC(C)(C)CC[*:1] C[C@H](NS(=O)(=O)N1CCCCC1)[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)N(C)Cc2cc(C)on2)C1 CCS[*:1] Cc1cc(CN(C)C(=O)N[C@@H]2CC[C@H](C2)[*:1])no1
CCS[C@@H]1CC[C@@H](NC(=O)N(C)Cc2cc(C)on2)C1 Cc1cc(no1)[*:1] CCS[C@@H]1CC[C@H](C1)NC(=O)N(C)C[*:1]
Cc1ccc(-c2nnc([S@](=O)CC(=O)N3[C@@H](C)CCC[C@H]3C)n2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)C[S@@](=O)c1nnc(n1C)[*:1]
CCCc1nnc(NC[C@@H](c2ccccc2)[NH+]2CCCCC2)o1 CCC[*:1] c1ccc(cc1)[C@H](CNc1nnc(o1)[*:1])[NH+]1CCCCC1
CCCc1nnc(NC[C@@H](c2ccccc2)[NH+]2CCCCC2)o1 c1ccc(cc1)[*:1] CCCc1nnc(NC[C@@H]([NH+]2CCCCC2)[*:1])o1
Cn1cc(-c2ccncc2)cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 c1cc(ccn1)[*:1] Cn1cc(cc1C(=O)N1CC[NH+](CC1)C1CCCCC1)[*:1]
Cn1cc(-c2ccncc2)cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] Cn1cc(cc1C(=O)N1CC[NH+](CC1)[*:1])-c1ccncc1
COC(=O)C1(NC(=O)CCC(F)(F)F)CCSCC1 COC(=O)[*:1] O=C(CCC(F)(F)F)NC1(CCSCC1)[*:1]
COC(=O)C1(NC(=O)CCC(F)(F)F)CCSCC1 FC(F)(F)C[*:1] COC(=O)C1(CCSCC1)NC(=O)C[*:1]
COC(=O)C1(NC(=O)CCC(F)(F)F)CCSCC1 FC(F)(F)[*:1] COC(=O)C1(CCSCC1)NC(=O)CC[*:1]
COC(=O)C1(NC(=O)CCC(F)(F)F)CCSCC1 FC(F)(F)CC[*:1] COC(=O)C1(CCSCC1)NC(=O)[*:1]
COc1cc2c(cc1OC)CN(C(=O)c1nnn(-c3ncc(C)s3)c1C)CC2 Cc1cnc(s1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)c1nnn(c1C)[*:1]
COc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cn1 COc1ccc(cn1)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCC1)N[*:1]
COc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cn1 C1CCN(C1)[*:1] COc1ccc(cn1)NC(=O)NCc1cc[nH+]c(c1)[*:1]
Cc1cc(O[C@@H](C)C(=O)NN)ccc1Cl NNC(=O)[*:1] Cc1cc(ccc1Cl)O[C@@H](C)[*:1]
O=[S@@](CCSc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1 O=[S@@](c1ccccc1)[*:1] FC(F)(F)c1ccc2nnc(SCC[*:1])n2c1
O=[S@@](CCSc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1 FC(F)(F)[*:1] O=[S@@](CCSc1nnc2ccc(cn12)[*:1])c1ccccc1
O=[S@@](CCSc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1 c1ccc(cc1)[*:1] O=[S@@](CCSc1nnc2ccc(cn12)C(F)(F)F)[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(C#CCCO)n1 OCCC#C[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(n1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(C#CCCO)n1 OCC[*:1] C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(C#C[*:1])n1
CCN(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)[*:1]
Cc1ccc(-n2nc(N3CCC[C@H](C(=O)Nc4ccc(F)cc4F)C3)ccc2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(C1)c1ccc(=O)n(n1)[*:1]
Cc1ccc(-n2nc(N3CCC[C@H](C(=O)Nc4ccc(F)cc4F)C3)ccc2=O)cc1Cl Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1Cl)-n1nc(ccc1=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccc(OCCN(C)S(=O)(=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] CN(CCO[*:1])S(=O)(=O)c1ccccc1
Cc1ccc(OCCN(C)S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OCCN(C)S(=O)(=O)[*:1]
CSC[C@H](C)NC(=O)N1CC[C@@H]([N+]2=CCCC2)C1 CSC[*:1] C[C@H](NC(=O)N1CC[C@H](C1)[N+]1=CCCC1)[*:1]
CSC[C@H](C)NC(=O)N1CC[C@@H]([N+]2=CCCC2)C1 CSC[C@H](C)[*:1] O=C(N[*:1])N1CC[C@H](C1)[N+]1=CCCC1
CCCCCOc1ccc(/C=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 CCC[*:1] O=c1/c(=C/c2ccc(cc2)OCC[*:1])sc2nc(nn12)[C@@H]1COc2ccccc2O1
CCCCCOc1ccc(/C=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 CCCCC[*:1] O=c1/c(=C/c2ccc(cc2)O[*:1])sc2nc(nn12)[C@@H]1COc2ccccc2O1
CCCCCOc1ccc(/C=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 CCCC[*:1] O=c1/c(=C/c2ccc(cc2)OC[*:1])sc2nc(nn12)[C@@H]1COc2ccccc2O1
CCCCCOc1ccc(/C=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 CCCCCO[*:1] O=c1/c(=C/c2ccc(cc2)[*:1])sc2nc(nn12)[C@@H]1COc2ccccc2O1
CC[NH2+]C[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccccc1F Fc1ccccc1[*:1] CC[NH2+]C[C@H](Cc1ccc(Cl)c(Cl)c1)[*:1]
C[C@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)NC(=O)NC1CC1 C1CC1[*:1] C[C@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)NC(=O)N[*:1]
CC[C@@H](COC)Nc1cccc(F)c1C(N)=S COC[*:1] CC[C@@H](Nc1cccc(F)c1C(N)=S)[*:1]
CC[C@@H](COC)Nc1cccc(F)c1C(N)=S NC(=S)[*:1] CC[C@@H](COC)Nc1cccc(F)c1[*:1]
O=C1N=C(O)C(/C=N/CCc2ccc(F)cc2)C(=O)N1CCC1=CCCCC1 Fc1ccc(cc1)C[*:1] O=C1N=C(O)C(/C=N/C[*:1])C(=O)N1CCC1=CCCCC1
O=C1N=C(O)C(/C=N/CCc2ccc(F)cc2)C(=O)N1CCC1=CCCCC1 Fc1ccc(cc1)[*:1] O=C1N=C(O)C(/C=N/CC[*:1])C(=O)N1CCC1=CCCCC1
O=C1N=C(O)C(/C=N/CCc2ccc(F)cc2)C(=O)N1CCC1=CCCCC1 Fc1ccc(cc1)CC[*:1] O=C1N=C(O)C(C=N[*:1])C(=O)N1CCC1=CCCCC1
CC(=O)NCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 CC(=O)N[*:1] O=C(C[*:1])N1CCC[C@@H]1c1ccc(F)cc1
CC(=O)NCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 CC(=O)NC[*:1] O=C(N1CCC[C@@H]1c1ccc(F)cc1)[*:1]
C[C@@H]1C[C@H](NC(=O)c2cccc(CS(C)(=O)=O)c2)CN1c1ccccc1 CS(=O)(=O)C[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)c1cccc(c1)[*:1]
C[C@@H]1C[C@H](NC(=O)c2cccc(CS(C)(=O)=O)c2)CN1c1ccccc1 CS(=O)(=O)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)c1cccc(c1)C[*:1]
C[C@@H]1C[C@H](NC(=O)c2cccc(CS(C)(=O)=O)c2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)c1cccc(c1)CS(C)(=O)=O
CCCNC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1CSc1nc(C)cc(C)n1 CCCNC(=O)[*:1] Cc1cc(C)nc(n1)SCc1c(nnn1-c1ccc(C)c(Cl)c1)[*:1]
CCCNC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1CSc1nc(C)cc(C)n1 Cc1ccc(cc1Cl)[*:1] CCCNC(=O)c1nnn(c1CSc1nc(C)cc(C)n1)[*:1]
CCCNC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1CSc1nc(C)cc(C)n1 CCC[*:1] Cc1cc(C)nc(n1)SCc1c(nnn1-c1ccc(C)c(Cl)c1)C(=O)N[*:1]
CCCNC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1CSc1nc(C)cc(C)n1 Cc1cc(C)nc(n1)S[*:1] CCCNC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1C[*:1]
CCCNC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1CSc1nc(C)cc(C)n1 Cc1cc(C)nc(n1)[*:1] CCCNC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1CS[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCCOc3ccccc3)C2)c1 Cc1cccc(c1)[*:1] O=C(NCCOc1ccccc1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCCOc3ccccc3)C2)c1 c1ccc(cc1)O[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)NCC[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCCOc3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)NCCO[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCCOc3ccccc3)C2)c1 c1ccc(cc1)OCC[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCCOc3ccccc3)C2)c1 c1ccc(cc1)OC[*:1] Cc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
Fc1cccc2c1SCC[C@H]2[NH2+]Cc1cc[nH]c1 c1cc(c[nH]1)[*:1] Fc1cccc2c1SCC[C@H]2[NH2+]C[*:1]
Fc1cccc2c1SCC[C@H]2[NH2+]Cc1cc[nH]c1 c1cc(c[nH]1)C[*:1] Fc1cccc2c1SCC[C@H]2[NH2+][*:1]
Cc1cc(NCc2ccco2)cc(C(=O)[O-])c1N O=C([O-])[*:1] Cc1cc(cc(c1N)[*:1])NCc1ccco1
Cc1cc(NCc2ccco2)cc(C(=O)[O-])c1N c1coc(c1)C[*:1] Cc1cc(cc(C(=O)[O-])c1N)N[*:1]
Cc1cc(NCc2ccco2)cc(C(=O)[O-])c1N c1coc(c1)[*:1] Cc1cc(cc(C(=O)[O-])c1N)NC[*:1]
CNS(=O)(=O)c1ccccc1N1CCN(Cc2nnc(C(C)C)o2)CC1 CC(C)c1nnc(o1)[*:1] CNS(=O)(=O)c1ccccc1N1CCN(CC1)C[*:1]
CNS(=O)(=O)c1ccccc1N1CCN(Cc2nnc(C(C)C)o2)CC1 CC(C)[*:1] CNS(=O)(=O)c1ccccc1N1CCN(CC1)Cc1nnc(o1)[*:1]
CNS(=O)(=O)c1ccccc1N1CCN(Cc2nnc(C(C)C)o2)CC1 CNS(=O)(=O)[*:1] CC(C)c1nnc(CN2CCN(CC2)c2ccccc2[*:1])o1
N#Cc1cc(Cl)nc(NNC(=O)c2ccccc2N2CCCC2=O)c1 O=C1CCCN1[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccccc1[*:1]
C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NCCc1cccs1 c1csc(c1)CC[*:1] C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)N[*:1]
C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NCCc1cccs1 c1csc(c1)[*:1] C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NCC[*:1]
C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NCCc1cccs1 c1csc(c1)C[*:1] C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NC[*:1]
Cc1cccc(CN2CCN(CC(=O)N3CCc4ccccc43)C(=O)C2=O)c1 Cc1cccc(c1)[*:1] O=C1C(=O)N(CCN1CC(=O)N1CCc2ccccc21)C[*:1]
Cc1cccc(CN2CCN(CC(=O)N3CCc4ccccc43)C(=O)C2=O)c1 Cc1cccc(c1)C[*:1] O=C1C(=O)N(CCN1CC(=O)N1CCc2ccccc21)[*:1]
Cc1cccc([C@@H](N[C@@H]2CCOc3ccc(C)c(C)c32)c2ccccn2)c1 Cc1cccc(c1)[*:1] Cc1ccc2OCC[C@@H](N[C@@H](c3ccccn3)[*:1])c2c1C
Cc1cccc([C@@H](N[C@@H]2CCOc3ccc(C)c(C)c32)c2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)[C@@H](N[C@@H]1CCOc2ccc(C)c(C)c21)[*:1]
COC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)nc1C Clc1ccccc1[*:1] COC(=O)c1sc(nc1C)NC(=O)[C@H]1C[C@H]1[*:1]
COC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)nc1C COC(=O)[*:1] Cc1nc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)sc1[*:1]
CNC(=O)c1cccc(OC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c1 CNC(=O)[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Oc1cccc(c1)[*:1]
CNC(=O)c1cccc(OC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)OC(=O)[C@@H](NC(=O)[*:1])C(C)C
CNC(=O)c1cccc(OC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c1 CC(C)[*:1] CNC(=O)c1cccc(c1)OC(=O)[C@@H](NC(=O)c1ccccc1)[*:1]
CSc1nc2nc(C)c(CCC(=O)Nc3cccc(Cl)c3)c(C)n2n1 Clc1cccc(c1)[*:1] CSc1nc2nc(C)c(CCC(=O)N[*:1])c(C)n2n1
Cc1cc(-c2csc(NC(=O)C[C@H]3CCCO3)n2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(C[C@H]1CCCO1)Nc1nc(cs1)[*:1]
Cc1cc(-c2csc(NC(=O)C[C@H]3CCCO3)n2)c(C)o1 C1CO[C@H](C1)C[*:1] Cc1cc(-c2csc(n2)NC(=O)[*:1])c(C)o1
Cc1cc(-c2csc(NC(=O)C[C@H]3CCCO3)n2)c(C)o1 C1CO[C@H](C1)[*:1] Cc1cc(-c2csc(n2)NC(=O)C[*:1])c(C)o1
CO/N=C/c1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1 CON=C[*:1] CC(C)Oc1cccc(c1)CNC(=O)c1ccc(cc1)[*:1]
CO/N=C/c1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1 CC(C)O[*:1] CO/N=C/c1ccc(cc1)C(=O)NCc1cccc(c1)[*:1]
CO/N=C/c1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1 CC(C)[*:1] CO/N=C/c1ccc(cc1)C(=O)NCc1cccc(c1)O[*:1]
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NCC(C)(C)c1ccncc1 CC(C)(C)OC(=O)N[*:1] Cc1ccc(cc1NC(=O)NCC(C)(C)c1ccncc1)[*:1]
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)NCC(C)(C)[*:1])NC(=O)OC(C)(C)C
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NCC(C)(C)c1ccncc1 CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)NCC(C)(C)c1ccncc1)NC(=O)O[*:1]
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)NCC(C)(C)c1ccncc1 CC(C)(c1ccncc1)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])NC(=O)OC(C)(C)C
O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc([N+](=O)[O-])cc1Br FC(F)(F)[*:1] O=C(Cn1cc(ccc1=O)[*:1])Nc1ccc(cc1Br)[N+](=O)[O-]
O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] O=C(Cn1cc(ccc1=O)C(F)(F)F)Nc1ccc(cc1Br)[*:1]
Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCOC1CCOCC1 C1CC(CCO1)O[*:1] Cc1cc(Cl)c(cc1OC(=O)CC[*:1])[N+](=O)[O-]
Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCOC1CCOCC1 O=[N+]([O-])[*:1] Cc1cc(Cl)c(cc1OC(=O)CCOC1CCOCC1)[*:1]
Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)CCOC1CCOCC1 C1CC(CCO1)[*:1] Cc1cc(Cl)c(cc1OC(=O)CCO[*:1])[N+](=O)[O-]
COC(=O)N1CCC[C@H](NC(=O)C[C@H](C)C(C)C)C1 CC(C)[C@@H](C)[*:1] COC(=O)N1CCC[C@@H](C1)NC(=O)C[*:1]
COC(=O)N1CCC[C@H](NC(=O)C[C@H](C)C(C)C)C1 CC(C)[*:1] COC(=O)N1CCC[C@@H](C1)NC(=O)C[C@H](C)[*:1]
COC(=O)N1CCC[C@H](NC(=O)C[C@H](C)C(C)C)C1 CC(C)[C@@H](C)C[*:1] COC(=O)N1CCC[C@@H](C1)NC(=O)[*:1]
Cn1c(CNc2ccccc2Br)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(CNc2ccccc2Br)nnc1[*:1]
Cn1c(CNc2ccccc2Br)nnc1-c1ccccc1 Brc1ccccc1[*:1] Cn1c(CN[*:1])nnc1-c1ccccc1
CC(C)C[C@]1(C)NC(=O)N(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1=O CC(C)C[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1=O)[*:1]
CC(C)C[C@]1(C)NC(=O)N(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1=O CC(C)[*:1] C[C@@]1(C[*:1])NC(=O)N(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1=O
COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2noc3c2C[C@H](C)CC3)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CCc2onc(C(=O)N[C@H]3CCCc4c3cnn4[*:1])c2C1
Cc1ccc(OCc2ccc(C(N)=O)cc2N)cc1 NC(=O)[*:1] Cc1ccc(cc1)OCc1ccc(cc1N)[*:1]
C=CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 C1CC1[*:1] C=CCNC(=O)c1cnn(-c2ncc3CCCc4ccccc4-c3n2)c1[*:1]
C=CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 C=CCNC(=O)[*:1] c1ccc2c(c1)CCCc1cnc(nc1-2)-n1ncc(c1C1CC1)[*:1]
C=CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 C=CC[*:1] O=C(N[*:1])c1cnn(-c2ncc3CCCc4ccccc4-c3n2)c1C1CC1
CCN(Cc1cccc(F)c1)C(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 O=[N+]([O-])[*:1] CCN(Cc1cccc(F)c1)C(=O)/C=C/c1cc2OCOc2cc1[*:1]
CCN(Cc1cccc(F)c1)C(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 Fc1cccc(c1)[*:1] CCN(C[*:1])C(=O)/C=C/c1cc2OCOc2cc1[N+](=O)[O-]
CCN(Cc1cccc(F)c1)C(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 Fc1cccc(c1)C[*:1] CCN(C(=O)/C=C/c1cc2OCOc2cc1[N+](=O)[O-])[*:1]
O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1F Brc1cncc(c1)[*:1] O=C(NC(=S)Nc1ccc2oc(nc2c1)[*:1])c1ccccc1F
O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1F Fc1ccccc1[*:1] O=C(NC(=S)Nc1ccc2oc(nc2c1)-c1cncc(Br)c1)[*:1]
COc1cc(C)ccc1NC(=O)N(C)[C@H](C)CC#N N#CC[*:1] COc1cc(C)ccc1NC(=O)N(C)[C@H](C)[*:1]
C[C@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)C(=O)Nc1cccc(c1)C(F)(F)F)O[*:1]
C[C@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNC(=O)C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
C[C@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Oc1ccccc1 FC(F)(F)[*:1] C[C@H](CNC(=O)C(=O)Nc1cccc(c1)[*:1])Oc1ccccc1
CC(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 O=[N+]([O-])[*:1] CC(=O)Nc1cccc(c1)CNc1ccc(c(c1)C(F)(F)F)[*:1]
CC(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 CC(=O)N[*:1] O=[N+]([O-])c1ccc(cc1C(F)(F)F)NCc1cccc(c1)[*:1]
CC(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 FC(F)(F)[*:1] CC(=O)Nc1cccc(c1)CNc1ccc(c(c1)[*:1])[N+](=O)[O-]
CSc1nc(C2CC2)nc(C)c1C(=O)N[C@@H](C)c1cn(C)nc1C Cc1nn(C)cc1[*:1] CSc1nc(nc(C)c1C(=O)N[C@@H](C)[*:1])C1CC1
CSc1nc(C2CC2)nc(C)c1C(=O)N[C@@H](C)c1cn(C)nc1C C1CC1[*:1] CSc1nc(nc(C)c1C(=O)N[C@@H](C)c1cn(C)nc1C)[*:1]
Cc1ccc(C(=O)Nc2cc3c(cc2S(=O)(=O)c2ccccc2)n(C)c(=O)c(=O)n3C)cc1 Cc1ccc(cc1)C(=O)N[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)S(=O)(=O)c1ccccc1)[*:1]
Cc1ccc(C(=O)Nc2cc3c(cc2S(=O)(=O)c2ccccc2)n(C)c(=O)c(=O)n3C)cc1 O=S(=O)(c1ccccc1)[*:1] Cc1ccc(cc1)C(=O)Nc1cc2c(cc1[*:1])n(C)c(=O)c(=O)n2C
Cc1ccc(C(=O)Nc2cc3c(cc2S(=O)(=O)c2ccccc2)n(C)c(=O)c(=O)n3C)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)NC(=O)[*:1])S(=O)(=O)c1ccccc1
Cc1ccc(C(=O)Nc2cc3c(cc2S(=O)(=O)c2ccccc2)n(C)c(=O)c(=O)n3C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)Nc1cc2c(cc1S(=O)(=O)[*:1])n(C)c(=O)c(=O)n2C
CN1C(=O)C[C@H](NC(=O)/C=C/C2CC2)[C@H]1c1ccc(Cl)cc1 C1CC1[*:1] CN1C(=O)C[C@H](NC(=O)C=C[*:1])[C@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NC(=O)/C=C/C2CC2)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)/C=C/C2CC2)[C@@H]1[*:1]
CN1C(=O)C[C@H](NC(=O)/C=C/C2CC2)[C@H]1c1ccc(Cl)cc1 C(=C[*:1])C1CC1 CN1C(=O)C[C@H](NC(=O)[*:1])[C@H]1c1ccc(Cl)cc1
COc1ccc(-n2ccc(CNC(=O)c3cc(-c4csc(C)n4)c[nH]3)n2)cc1 Cc1nc(cs1)[*:1] COc1ccc(cc1)-n1ccc(CNC(=O)c2cc(c[nH]2)[*:1])n1
COc1ccc(-n2ccc(CNC(=O)c3cc(-c4csc(C)n4)c[nH]3)n2)cc1 COc1ccc(cc1)[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)NCc1ccn(n1)[*:1]
NC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)C1 FC(F)(F)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)Nc1ccccc1C(=O)NC[*:1]
NC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)C1 O=C(NCC(F)(F)F)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)Nc1ccccc1[*:1]
NC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)C1 FC(F)(F)C[*:1] NC(=O)N1CCC[C@H](C1)C(=O)Nc1ccccc1C(=O)N[*:1]
CC(C)COC(=O)N1CCC[NH+](Cc2ccn(C)c2)CC1 CC(C)[*:1] Cn1ccc(c1)C[NH+]1CCCN(CC1)C(=O)OC[*:1]
CC(C)COC(=O)N1CCC[NH+](Cc2ccn(C)c2)CC1 Cn1ccc(c1)C[*:1] CC(C)COC(=O)N1CCC[NH+](CC1)[*:1]
CC(C)COC(=O)N1CCC[NH+](Cc2ccn(C)c2)CC1 Cn1ccc(c1)[*:1] CC(C)COC(=O)N1CCC[NH+](CC1)C[*:1]
CC(C)COC(=O)N1CCC[NH+](Cc2ccn(C)c2)CC1 CC(C)C[*:1] Cn1ccc(c1)C[NH+]1CCCN(CC1)C(=O)O[*:1]
COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 O=[N+]([O-])[*:1] COc1ccc(cc1OC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1)[*:1]
CCC[NH2+]Cc1ccc(CO[C@H]2CCCC[C@@H]2C)nc1 CCC[*:1] C[C@H]1CCCC[C@@H]1OCc1ccc(cn1)C[NH2+][*:1]
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(Cc2cccs2)C2CC2)C1 C1CC1[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(Cc2cccs2)[*:1])C1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(Cc2cccs2)C2CC2)C1 CC(C)C[*:1] O=C(N[*:1])N1CCC[C@@H](CC(=O)N(Cc2cccs2)C2CC2)C1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(Cc2cccs2)C2CC2)C1 c1csc(c1)C[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(C2CC2)[*:1])C1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(Cc2cccs2)C2CC2)C1 CC(C)[*:1] O=C(NC[*:1])N1CCC[C@@H](CC(=O)N(Cc2cccs2)C2CC2)C1
CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(Cc2cccs2)C2CC2)C1 c1csc(c1)[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N(C[*:1])C2CC2)C1
CCOC(=O)[C@@H]1CCCN(C(=O)N2CCC[C@H](C)C2)C1 CCOC(=O)[*:1] C[C@H]1CCCN(C1)C(=O)N1CCC[C@H](C1)[*:1]
CCc1cccc(NC(=O)CNc2ccc(C)c(N3CCOC3=O)c2)c1 CCc1cccc(c1)[*:1] Cc1ccc(cc1N1CCOC1=O)NCC(=O)N[*:1]
CCc1cccc(NC(=O)CNc2ccc(C)c(N3CCOC3=O)c2)c1 O=C1OCCN1[*:1] CCc1cccc(c1)NC(=O)CNc1ccc(C)c(c1)[*:1]
O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)N1CCN(CC1)c1cccc(Cl)c1)NC[*:1]
O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cn1nc(ccc1=O)N1CCN(CC1)c1cccc(Cl)c1)N[*:1]
O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] O=c1ccc(nn1C[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccccc1 Clc1cccc(c1)[*:1] O=C(Cn1nc(ccc1=O)N1CCN(CC1)[*:1])NCc1ccccc1
O=C(NC1CCCCC1)c1cc(-c2ccncc2)nc2ccccc12 c1cc(ccn1)[*:1] O=C(NC1CCCCC1)c1cc(nc2ccccc12)[*:1]
O=C(NC1CCCCC1)c1cc(-c2ccncc2)nc2ccccc12 C1CCC(CC1)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccncc1
Cc1noc(C)c1CCC(=O)Nc1ccc(F)c(F)c1F Cc1noc(C)c1[*:1] O=C(CC[*:1])Nc1ccc(F)c(F)c1F
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 Clc1ccc(c(Cl)c1)[*:1] C[C@@H](C[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 Clc1ccc(C[*:1])c(Cl)c1 C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@@H]1Oc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2NC1=O FC(F)(F)O[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)c1ccc(cc1)[*:1]
C[C@@H]1Oc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2NC1=O FC(F)(F)[*:1] C[C@@H]1Oc2ccc(cc2NC1=O)NC(=O)c1ccc(cc1)O[*:1]
C[C@H](COC(=O)C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] C[C@H](COC(=O)[*:1])OC(=O)C(Cl)(Cl)Cl
C[C@H](COC(=O)C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] C[C@H](COC(=O)C(Cl)(Cl)Cl)OC(=O)[*:1]
C[C@H](C(=O)NCCc1cccs1)N1CCN(C(=O)C2CC2)CC1 c1csc(c1)C[*:1] C[C@H](C(=O)NC[*:1])N1CCN(CC1)C(=O)C1CC1
C[C@H](C(=O)NCCc1cccs1)N1CCN(C(=O)C2CC2)CC1 c1csc(c1)[*:1] C[C@H](C(=O)NCC[*:1])N1CCN(CC1)C(=O)C1CC1
C[C@H](C(=O)NCCc1cccs1)N1CCN(C(=O)C2CC2)CC1 c1csc(c1)CC[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)C1CC1
C[C@H](C(=O)NCCc1cccs1)N1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] C[C@H](C(=O)NCCc1cccs1)N1CCN(CC1)C(=O)[*:1]
O=C(Cn1ncc(=O)c2ccccc21)NC[C@H](O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(Cn1ncc(=O)c2ccccc21)NC[C@H](O)[*:1]
CC(C)CN1C(=O)C2(CCCC2)N[C@]12C(=O)Nc1ccccc12 CC(C)C[*:1] O=C1N([C@]2(NC13CCCC3)C(=O)Nc1ccccc12)[*:1]
CC(C)CN1C(=O)C2(CCCC2)N[C@]12C(=O)Nc1ccccc12 CC(C)[*:1] O=C1N(C[*:1])[C@]2(NC13CCCC3)C(=O)Nc1ccccc12
COCCOC(=O)/C(C#N)=C\c1cnn(C)c1 COCC[*:1] Cn1cc(/C=C(/C#N)C(=O)O[*:1])cn1
COCCOC(=O)/C(C#N)=C\c1cnn(C)c1 COC[*:1] Cn1cc(/C=C(/C#N)C(=O)OC[*:1])cn1
O=C(Cn1cnc2cc(F)ccc2c1=O)N(Cc1ccco1)C1=CCCCC1 c1coc(c1)[*:1] O=C(Cn1cnc2cc(F)ccc2c1=O)N(C[*:1])C1=CCCCC1
O=C(Cn1cnc2cc(F)ccc2c1=O)N(Cc1ccco1)C1=CCCCC1 c1coc(c1)C[*:1] O=C(Cn1cnc2cc(F)ccc2c1=O)N(C1=CCCCC1)[*:1]
O=C(CCc1ccccc1)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 c1ccc(cc1)[*:1] O=C(CC[*:1])N1CCc2nc(ncc2C1)[C@@H]1CCCC[NH2+]1
O=C(CCc1ccccc1)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 c1ccc(cc1)CC[*:1] O=C(N1CCc2nc(ncc2C1)[C@@H]1CCCC[NH2+]1)[*:1]
O=C(CCc1ccccc1)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1 c1ccc(cc1)C[*:1] O=C(C[*:1])N1CCc2nc(ncc2C1)[C@@H]1CCCC[NH2+]1
COc1ccc([C@H]2CC(=O)c3cnc4c(c3C2)c(=O)[nH]c(=O)n4Cc2ccc3c(c2)OCCCO3)cc1 c1cc2OCCCOc2cc1C[*:1] COc1ccc(cc1)[C@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3[*:1]
COc1ccc([C@H]2CC(=O)c3cnc4c(c3C2)c(=O)[nH]c(=O)n4Cc2ccc3c(c2)OCCCO3)cc1 c1cc2OCCCOc2cc1[*:1] COc1ccc(cc1)[C@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3C[*:1]
COc1ccc([C@H]2CC(=O)c3cnc4c(c3C2)c(=O)[nH]c(=O)n4Cc2ccc3c(c2)OCCCO3)cc1 COc1ccc(cc1)[*:1] O=C1C[C@@H](Cc2c1cnc1c2c(=O)[nH]c(=O)n1Cc1ccc2OCCCOc2c1)[*:1]
CO[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)c1ccccc1 Clc1ccc(cc1)[*:1] CO[C@@H](C(=O)NC[C@@H](n1cccn1)[*:1])c1ccccc1
CO[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)c1ccccc1 c1cnn(c1)[*:1] CO[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[*:1])c1ccccc1
CO[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)[*:1]
Cc1ccn(-c2ccc(NCc3ccc(N4CCC(C)CC4)[nH+]c3)nn2)n1 Cc1ccn(n1)[*:1] CC1CCN(CC1)c1ccc(c[nH+]1)CNc1ccc(nn1)[*:1]
Cc1ccn(-c2ccc(NCc3ccc(N4CCC(C)CC4)[nH+]c3)nn2)n1 CC1CCN(CC1)[*:1] Cc1ccn(n1)-c1ccc(nn1)NCc1ccc([nH+]c1)[*:1]
C=CC[NH+]1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] C=CC[NH+]1CCN(CC1)[C@@H](c1ccc(Cl)cc1)c1nnnn1C[*:1]
C=CC[NH+]1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2C[C@@H]2CCCO2)CC1 Clc1ccc(cc1)[*:1] C=CC[NH+]1CCN(CC1)[C@@H](c1nnnn1C[C@@H]1CCCO1)[*:1]
C=CC[NH+]1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] C=CC[NH+]1CCN(CC1)[C@@H](c1ccc(Cl)cc1)c1nnnn1[*:1]
CC1=C([N+](=O)[O-])[C@H](N)C(=O)N=N1 O=[N+]([O-])[*:1] CC1N=NC(=O)[C@@H](N)C=1[*:1]
O=C([O-])CCC(=O)Nc1ncccn1 O=C([O-])C[*:1] O=C(C[*:1])Nc1ncccn1
O=C([O-])CCC(=O)Nc1ncccn1 O=C([O-])[*:1] O=C(CC[*:1])Nc1ncccn1
COc1ccccc1-c1noc(CS(=O)(=O)c2nc3ccccc3[n-]2)n1 COc1ccccc1[*:1] O=S(=O)(Cc1nc(no1)[*:1])c1nc2ccccc2[n-]1
CCCc1nn(-c2ccc(OC)cc2)c2sc(C(=O)[O-])cc12 CCC[*:1] COc1ccc(cc1)-n1nc(c2cc(sc21)C(=O)[O-])[*:1]
CCCc1nn(-c2ccc(OC)cc2)c2sc(C(=O)[O-])cc12 O=C([O-])[*:1] CCCc1nn(-c2ccc(cc2)OC)c2sc(cc12)[*:1]
Cc1ccc([C@@H]2[C@H]3C(=O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@@H]1[C@H]2C(=O)C[C@@H](CC2=Nc2ncnn21)[*:1]
Cc1ccc([C@@H]2[C@H]3C(=O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](CC2=Nc3ncnn3[C@@H]([C@@H]12)[*:1])c1ccco1
Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCCC1CCCCC1 C1CCC(CC1)C[*:1] Cc1ccc(cc1NC(=O)NC[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCCC1CCCCC1 CS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)NCCC1CCCCC1)[*:1]
Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCCC1CCCCC1 C1CCC(CC1)[*:1] Cc1ccc(cc1NC(=O)NCC[*:1])S(C)(=O)=O
CC[C@H](C#N)OC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 c1ccc(cc1)[*:1] CC[C@H](C#N)OC(=O)c1csc(n1)-c1cnn(c1)[*:1]
COCc1ccc([S@@](=O)[C@H](C)C(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COCc1ccc(cc1)[S@@](=O)[C@H](C)C(=O)NC[*:1]
COCc1ccc([S@@](=O)[C@H](C)C(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1C[*:1] COCc1ccc(cc1)[S@@](=O)[C@H](C)C(=O)N[*:1]
COCc1ccc([S@@](=O)[C@H](C)C(=O)NCc2ccccc2Cl)cc1 COC[*:1] C[C@H](C(=O)NCc1ccccc1Cl)[S@](=O)c1ccc(cc1)[*:1]
O=C(/C=C/c1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(C=C[*:1])N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1
O=C(/C=C/c1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 C(=C[*:1])c1ccccc1 O=C(N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1)[*:1]
CC[NH2+][C@@H](c1ccsc1)[C@H]1C[NH+]2CCN1CC2 c1cc(cs1)[*:1] CC[NH2+][C@@H]([C@H]1C[NH+]2CCN1CC2)[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cccc(-n2cccn2)n1 c1cnn(c1)[*:1] COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cccc(n1)[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cccc(-n2cccn2)n1 COC(=O)[*:1] O=C(N[C@H]1CCCCC[C@@H]1[*:1])c1cccc(n1)-n1cccn1
COC(C)(C)CNC(=O)N1CCO[C@H](c2ccccc2F)C1 Fc1ccccc1[*:1] COC(C)(C)CNC(=O)N1CCO[C@H](C1)[*:1]
COC(C)(C)CNC(=O)N1CCO[C@H](c2ccccc2F)C1 COC(C)(C)[*:1] O=C(NC[*:1])N1CCO[C@@H](C1)c1ccccc1F
COC(C)(C)CNC(=O)N1CCO[C@H](c2ccccc2F)C1 COC(C)(C)C[*:1] O=C(N[*:1])N1CCO[C@@H](C1)c1ccccc1F
CCCNc1cccc(CN2CCc3sccc3C2)[nH+]1 CCCN[*:1] c1cc(CN2CCc3sccc3C2)[nH+]c(c1)[*:1]
CCCNc1cccc(CN2CCc3sccc3C2)[nH+]1 CCC[*:1] c1cc(CN2CCc3sccc3C2)[nH+]c(c1)N[*:1]
Cc1ccc(F)cc1S(=O)(=O)N[C@H](C#N)c1ccccc1F Fc1ccccc1[*:1] Cc1ccc(F)cc1S(=O)(=O)N[C@H](C#N)[*:1]
O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccccn1)C2 c1ccc(CC[*:1])nc1 O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccccn1)C2 c1ccc(nc1)[*:1] O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)CC[*:1]
O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccccn1)C2 c1ccc(cc1)[*:1] O=C(CCc1ccccn1)N1C[C@H]2CC[C@@H]1CN(C2)C(=O)[*:1]
O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccccn1)C2 c1ccc(C[*:1])nc1 O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)C[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)NCc2ccnc(-n3ccnc3)c2)o1 c1cn(cn1)[*:1] Cc1ccc(o1)[C@@](C)(O)CNC(=O)NCc1ccnc(c1)[*:1]
Cc1ccc([C@@](C)(O)CNC(=O)NCc2ccnc(-n3ccnc3)c2)o1 Cc1ccc(o1)[*:1] C[C@@](O)(CNC(=O)NCc1ccnc(c1)-n1ccnc1)[*:1]
CCNC(=O)COc1ccc(C[NH2+]C(C)C)cc1 CCNC(=O)C[*:1] CC(C)[NH2+]Cc1ccc(cc1)O[*:1]
CCNC(=O)COc1ccc(C[NH2+]C(C)C)cc1 CCNC(=O)[*:1] CC(C)[NH2+]Cc1ccc(cc1)OC[*:1]
CCNC(=O)COc1ccc(C[NH2+]C(C)C)cc1 CC(C)[*:1] CCNC(=O)COc1ccc(cc1)C[NH2+][*:1]
C[C@H](Cc1cccs1)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O C[C@H](Cc1cccs1)[*:1] O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[*:1]
C[C@H](Cc1cccs1)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] C[C@H](Cc1cccs1)NC(=O)N[C@H]1CCCN(C1=O)[*:1]
C[C@H](Cc1cccs1)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O
C[C@H](Cc1cccs1)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1csc(c1)C[*:1] C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
C[C@H](Cc1cccs1)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@H](Cc1cccs1)NC(=O)N[C@H]1CCCN(C[*:1])C1=O
COc1cccc(Nc2nc(N3C[C@H](C)O[C@H](C)C3)nc3c2cnn3C)c1 COc1cccc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1nc(N[*:1])c2cnn(C)c2n1
COc1cccc(Nc2nc(N3C[C@H](C)O[C@H](C)C3)nc3c2cnn3C)c1 COc1cccc(c1)N[*:1] C[C@H]1CN(C[C@@H](C)O1)c1nc(c2cnn(C)c2n1)[*:1]
Cc1cccnc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 Cc1cccnc1[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1cccs1
Cc1cccnc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 c1csc(c1)[*:1] Cc1cccnc1NC(=O)c1cccc(c1)NC(=O)[*:1]
Cc1cccnc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 Cc1cccnc1NC(=O)c1cccc(c1)[*:1]
CCC[NH+]1CCN(c2ncnc3sc(C(=O)N(C)Cc4ccccc4)c(C)c23)CC1 c1ccc(cc1)[*:1] CCC[NH+]1CCN(CC1)c1ncnc2sc(C(=O)N(C)C[*:1])c(C)c12
CCC[NH+]1CCN(c2ncnc3sc(C(=O)N(C)Cc4ccccc4)c(C)c23)CC1 c1ccc(cc1)C[*:1] CCC[NH+]1CCN(CC1)c1ncnc2sc(C(=O)N(C)[*:1])c(C)c12
CCn1nccc1C(=O)Nc1nc2c(OC)cc([N+](=O)[O-])cc2s1 O=[N+]([O-])[*:1] CCn1nccc1C(=O)Nc1nc2c(cc(cc2s1)[*:1])OC
CCn1nccc1C(=O)Nc1nc2c(OC)cc([N+](=O)[O-])cc2s1 CCn1nccc1[*:1] COc1cc(cc2sc(nc12)NC(=O)[*:1])[N+](=O)[O-]
Cc1cc(F)cc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCS(=O)(=O)C2)c1 Cc1cc(F)cc(c1)[*:1] O=S1(=O)CC[C@@H](Cn2cnc(-c3ccccc3)c2[*:1])C1
Cc1cc(F)cc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCS(=O)(=O)C2)c1 c1ccc(cc1)[*:1] Cc1cc(F)cc(c1)-c1c(ncn1C[C@@H]1CCS(=O)(=O)C1)[*:1]
CC[C@@H](NC(=O)c1ccoc1)c1c(C)nn(C)c1C c1cc(co1)[*:1] CC[C@@H](NC(=O)[*:1])c1c(C)nn(C)c1C
Cc1ccoc1C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl Cc1ccoc1[*:1] O=C(CNC(=O)[*:1])Nc1cc(Cl)ccc1Cl
CC(=O)Nc1ccc(C(C)=O)cc1OCc1cccc2ccccc12 CC(=O)[*:1] CC(=O)Nc1ccc(cc1OCc1cccc2ccccc12)[*:1]
CC(=O)Nc1ccc(C(C)=O)cc1OCc1cccc2ccccc12 CC(=O)N[*:1] CC(=O)c1ccc(c(c1)OCc1cccc2ccccc12)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)cc1 Brc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)cc1 CC(=O)[*:1] O=C(Cc1ccc(Br)cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)cc1 Brc1ccc(cc1)C[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Cc1ccc(Br)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C1C[C@H](c2cc(F)cc(F)c2)c2cnn(-c3ccc(F)cc3)c2N1 Fc1cc(F)cc(c1)[*:1] O=C1C[C@H](c2cnn(-c3ccc(F)cc3)c2N1)[*:1]
O=C1C[C@H](c2cc(F)cc(F)c2)c2cnn(-c3ccc(F)cc3)c2N1 Fc1ccc(cc1)[*:1] O=C1C[C@H](c2cc(F)cc(F)c2)c2cnn(c2N1)[*:1]
NC(=O)c1cn(C2CCCCC2)c2nc(C(F)(F)F)cc(-c3cccs3)c12 c1csc(c1)[*:1] NC(=O)c1cn(c2nc(cc(c12)[*:1])C(F)(F)F)C1CCCCC1
NC(=O)c1cn(C2CCCCC2)c2nc(C(F)(F)F)cc(-c3cccs3)c12 NC(=O)[*:1] FC(F)(F)c1cc(-c2cccs2)c2c(cn(c2n1)C1CCCCC1)[*:1]
NC(=O)c1cn(C2CCCCC2)c2nc(C(F)(F)F)cc(-c3cccs3)c12 C1CCC(CC1)[*:1] NC(=O)c1cn(c2nc(cc(-c3cccs3)c12)C(F)(F)F)[*:1]
NC(=O)c1cn(C2CCCCC2)c2nc(C(F)(F)F)cc(-c3cccs3)c12 FC(F)(F)[*:1] NC(=O)c1cn(c2nc(cc(-c3cccs3)c12)[*:1])C1CCCCC1
COc1cccc([C@H]2C[NH+]=C(N)N2c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1C[NH+]=C(N)N1[*:1]
C[C@H]1CN(Cc2cccc(CNCc3nc4c(s3)CCC4)c2)CCO1 C1Cc2nc(sc2C1)[*:1] C[C@H]1CN(CCO1)Cc1cccc(c1)CNC[*:1]
C[C@H]1CN(Cc2cccc(CNCc3nc4c(s3)CCC4)c2)CCO1 C[C@H]1CN(CCO1)[*:1] c1cc(cc(c1)C[*:1])CNCc1nc2CCCc2s1
C[C@H]1CN(Cc2cccc(CNCc3nc4c(s3)CCC4)c2)CCO1 C[C@H]1CN(CCO1)C[*:1] c1cc(cc(c1)[*:1])CNCc1nc2CCCc2s1
CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c1 CC(=O)[*:1] O=S(=O)([N-]c1cccc(c1)SC(F)F)c1cccc(c1)[*:1]
CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c1 FC(F)[*:1] CC(=O)c1cccc(c1)S(=O)(=O)[N-]c1cccc(c1)S[*:1]
CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c1 FC(F)S[*:1] CC(=O)c1cccc(c1)S(=O)(=O)[N-]c1cccc(c1)[*:1]
CC[C@H](C)NC(=O)COc1ccc(C)cc1C CC[C@H](C)[*:1] Cc1ccc(OCC(=O)N[*:1])c(C)c1
CC[C@@H]([NH2+]Cc1cc(C)n(CC)c1C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@@H]([NH2+]Cc1cc(C)n(CC)c1C)[*:1]
O=C(NCC1(c2ccccc2)CC1)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCC1(CC1)[*:1])N1CCO[C@@H](C1)c1ccccc1
O=C(NCC1(c2ccccc2)CC1)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCC1(CC1)c1ccccc1)N1CCO[C@H](C1)[*:1]
COc1ccc([C@H]2[C@@H]3SC(=O)N=C3S[C@@H](C(=O)[O-])[C@H]2C(=O)c2ccc3c(c2)CCCC3)cc1 c1cc2CCCCc2cc1[*:1] COc1ccc(cc1)[C@H]1[C@@H]2SC(=O)N=C2S[C@@H](C(=O)[O-])[C@H]1C(=O)[*:1]
COc1ccc([C@H]2[C@@H]3SC(=O)N=C3S[C@@H](C(=O)[O-])[C@H]2C(=O)c2ccc3c(c2)CCCC3)cc1 COc1ccc(cc1)[*:1] O=C1N=C2S[C@@H](C(=O)[O-])[C@@H](C(=O)c3ccc4CCCCc4c3)[C@H]([C@@H]2S1)[*:1]
O=C(c1ccc(Cl)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccc(Cl)cc1)N1CCN(CC1)c1ncccc1[*:1]
O=C(c1ccc(Cl)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1 Clc1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1ncccc1C(F)(F)F)[*:1]
O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1nnc(C2CCCCC2)s1 C1CCC(CC1)[*:1] O=C(COc1ccc2c3CCCc3c(=O)oc2c1)Nc1nnc(s1)[*:1]
Cc1cc(NC(=O)c2ccc(Br)nc2)sc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(NC(=O)c2ccc(Br)nc2)sc1[*:1]
C[C@H](NC(=O)c1csc(C#CCCO)c1)[C@H]1CCCO1 OCCC#C[*:1] C[C@H](NC(=O)c1csc(c1)[*:1])[C@H]1CCCO1
C[C@H](NC(=O)c1csc(C#CCCO)c1)[C@H]1CCCO1 OCC[*:1] C[C@H](NC(=O)c1csc(C#C[*:1])c1)[C@H]1CCCO1
C[C@H](NC(=O)c1csc(C#CCCO)c1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)c1csc(C#CCCO)c1)[*:1]
COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 CN(C(=O)C1CCCC1)[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)C[*:1])c1ccccc1F
COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 COc1ccc(cc1)[*:1] CN(CC(=O)N1N=C(C[C@H]1[*:1])c1ccccc1F)C(=O)C1CCCC1
COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)CN(C)C(=O)C1CCCC1)[*:1]
COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 CN(C[*:1])C(=O)C1CCCC1 COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)[*:1])c1ccccc1F
COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)CN(C)C(=O)[*:1])c1ccccc1F
CC(C)[C@H](NC(=O)NOC1CCCC1)c1ccccc1 CC(C)[*:1] O=C(NOC1CCCC1)N[C@H](c1ccccc1)[*:1]
CC(C)[C@H](NC(=O)NOC1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)NOC1CCCC1)[*:1]
CC(C)[C@H](NC(=O)NOC1CCCC1)c1ccccc1 C1CCC(C1)[*:1] CC(C)[C@H](NC(=O)NO[*:1])c1ccccc1
C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1)[*:1]
C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1ccc(Cl)cc1
Cc1cccc(N2CCN(CC(=O)N3CC[C@](C)(O)[C@H](C)C3)CC2)c1 Cc1cccc(c1)[*:1] C[C@@H]1CN(CC[C@]1(C)O)C(=O)CN1CCN(CC1)[*:1]
Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl Cc1noc(C)c1[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]
Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cc(ccc1Cl)[*:1]
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)NOCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)NOC[*:1]
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)NOCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)NO[*:1]
CCOC(=O)C[C@H]([NH3+])c1csc2ccccc12 CCOC(=O)[*:1] [NH3+][C@@H](C[*:1])c1csc2ccccc12
O=C(CCc1cccc(Br)c1)Nc1ccccc1N1CCCC1=O Brc1cccc(c1)[*:1] O=C(CC[*:1])Nc1ccccc1N1CCCC1=O
O=C(CCc1cccc(Br)c1)Nc1ccccc1N1CCCC1=O Brc1cccc(c1)C[*:1] O=C(C[*:1])Nc1ccccc1N1CCCC1=O
O=C(CCc1cccc(Br)c1)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(CCc1cccc(Br)c1)Nc1ccccc1[*:1]
Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 FC(F)(F)[*:1] Cc1cccc(c1)NC(=O)COC(=O)[C@H]1CC(=O)N(C1)C[*:1]
Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 Cc1cccc(c1)[*:1] O=C(COC(=O)[C@H]1CC(=O)N(C1)CC(F)(F)F)N[*:1]
Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 FC(F)(F)C[*:1] Cc1cccc(c1)NC(=O)COC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cc2ccn(C)c2)c1 COc1cccc(c1)[*:1] Cn1ccc(c1)CC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
COc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cc2ccn(C)c2)c1 Cn1ccc(c1)C[*:1] COc1cccc(c1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
COc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cc2ccn(C)c2)c1 Cn1ccc(c1)[*:1] COc1cccc(c1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)C[*:1]
CCC[NH2+][C@@H](c1c(C)c(C)cc(C)c1C)[C@@H]1CCO[C@@H]1C CCC[*:1] Cc1cc(C)c(C)c(c1C)[C@H]([NH2+][*:1])[C@@H]1CCO[C@@H]1C
C[C@H](C(=O)Oc1cccc([N+](=O)[O-])c1)n1cccn1 O=[N+]([O-])[*:1] C[C@H](C(=O)Oc1cccc(c1)[*:1])n1cccn1
C[C@H](C(=O)Oc1cccc([N+](=O)[O-])c1)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)Oc1cccc(c1)[N+](=O)[O-])[*:1]
CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)C(C)C CC(C)[*:1] CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)[*:1]
C[C@H]1C[C@@H]1[C@H]([NH3+])c1ccc(F)c(Br)c1 C[C@H]1C[C@H]1[*:1] [NH3+][C@H](c1ccc(F)c(Br)c1)[*:1]
CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 Fc1ccc(cc1)[*:1] CCC[C@H](NC(=O)NC[*:1])C(=O)N1CCC(CC1)C(=O)N1CCCCCC1
CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 Fc1ccc(cc1)C[*:1] CCC[C@H](NC(=O)N[*:1])C(=O)N1CCC(CC1)C(=O)N1CCCCCC1
CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 O=C(N1CCCCCC1)[*:1] CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(CC1)[*:1]
CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 CCC[*:1] O=C(NCc1ccc(F)cc1)N[C@H](C(=O)N1CCC(CC1)C(=O)N1CCCCCC1)[*:1]
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(c2nc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1nc(no1)[*:1]
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(c2nc(-c3ccccc3)no2)CC1 Clc1ccc(cc1Cl)[*:1] O=C(N1CCC(CC1)c1nc(no1)-c1ccccc1)[*:1]
O=C([O-])c1ccc(C(=O)[O-])c(Br)c1 O=C([O-])[*:1] O=C([O-])c1ccc(cc1Br)[*:1]
O=C([O-])c1ccc(C(=O)[O-])c(Br)c1 O=C([O-])[*:1] O=C([O-])c1ccc(c(Br)c1)[*:1]
COc1ccc(C(C)(C)C)cc1NC(=O)NC[C@H](C)n1cc[nH+]c1 CC(C)(C)[*:1] COc1ccc(cc1NC(=O)NC[C@H](C)n1cc[nH+]c1)[*:1]
COCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2nc(C)cs2)c1 COCC(=O)N[*:1] Cc1csc(n1)[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
COCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2nc(C)cs2)c1 Cc1csc(n1)[*:1] COCC(=O)Nc1cccc(c1)NC(=O)N[C@@H](C)[*:1]
COCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2nc(C)cs2)c1 COC[*:1] Cc1csc(n1)[C@H](C)NC(=O)Nc1cccc(c1)NC(=O)[*:1]
O=S(=O)([O-])CCc1cc[n+](CCBr)cc1 O=S(=O)([O-])[*:1] BrCC[n+]1ccc(cc1)CC[*:1]
O=S(=O)([O-])CCc1cc[n+](CCBr)cc1 BrCC[*:1] O=S(=O)([O-])CCc1cc[n+](cc1)[*:1]
O=S(=O)([O-])CCc1cc[n+](CCBr)cc1 O=S(=O)([O-])C[*:1] BrCC[n+]1ccc(cc1)C[*:1]
Cc1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc3c(c1)OCCO3)O2 c1cc2OCCOc2cc1[*:1] Cc1ccc2O/C(=C\c3cn(nc3[*:1])-c3ccccc3)C(=O)c2c1
Cc1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc3c(c1)OCCO3)O2 c1ccc(cc1)[*:1] Cc1ccc2O/C(=C\c3cn(nc3-c3ccc4OCCOc4c3)[*:1])C(=O)c2c1
C[C@@H]1CN(c2ccccc2NC(=O)CCOc2cccc(C=O)c2)C[C@@H](C)O1 O=Cc1cccc(c1)O[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)CC[*:1]
C[C@@H]1CN(c2ccccc2NC(=O)CCOc2cccc(C=O)c2)C[C@@H](C)O1 O=Cc1cccc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)CCO[*:1]
CCOC(=O)Cc1cs/c(=N\C(=S)NC(=O)c2ccccc2)[nH]1 CCOC(=O)[*:1] O=C(NC(=S)/N=c1/[nH]c(cs1)C[*:1])c1ccccc1
CCOC(=O)Cc1cs/c(=N\C(=S)NC(=O)c2ccccc2)[nH]1 c1ccc(cc1)[*:1] CCOC(=O)Cc1cs/c(=N\C(=S)NC(=O)[*:1])[nH]1
CCOC(=O)Cc1cs/c(=N\C(=S)NC(=O)c2ccccc2)[nH]1 CCOC(=O)C[*:1] O=C(NC(=S)/N=c1/[nH]c(cs1)[*:1])c1ccccc1
C[C@H](C(N)=O)N1CCN(Cc2cnc(-c3cccs3)s2)CC1 c1csc(c1)[*:1] C[C@H](C(N)=O)N1CCN(CC1)Cc1cnc(s1)[*:1]
C[C@H](C(N)=O)N1CCN(Cc2cnc(-c3cccs3)s2)CC1 NC(=O)[*:1] C[C@H](N1CCN(CC1)Cc1cnc(s1)-c1cccs1)[*:1]
C[C@H](C(N)=O)N1CCN(Cc2cnc(-c3cccs3)s2)CC1 C[C@H](C(N)=O)[*:1] c1csc(c1)-c1ncc(CN2CCN(CC2)[*:1])s1
C#CCN(CC(=O)[O-])C(=O)c1cc(C)c(C)s1 O=C([O-])C[*:1] C#CCN(C(=O)c1cc(C)c(C)s1)[*:1]
C#CCN(CC(=O)[O-])C(=O)c1cc(C)c(C)s1 C#CC[*:1] Cc1cc(sc1C)C(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)c1cc(C)c(C)s1 O=C([O-])[*:1] C#CCN(C[*:1])C(=O)c1cc(C)c(C)s1
CN1CCN(C(=O)N2CCOC[C@H]2C(=O)[O-])C(C)(C)C1=O O=C([O-])[*:1] CN1CCN(C(=O)N2CCOC[C@@H]2[*:1])C(C)(C)C1=O
CCCOc1nc(N(C)CC(C)C)ccc1N CC(C)[*:1] CCCOc1nc(ccc1N)N(C)C[*:1]
CCCOc1nc(N(C)CC(C)C)ccc1N CCC[*:1] CC(C)CN(C)c1ccc(N)c(n1)O[*:1]
CCCOc1nc(N(C)CC(C)C)ccc1N CCCO[*:1] CC(C)CN(C)c1ccc(N)c(n1)[*:1]
CCCOc1nc(N(C)CC(C)C)ccc1N CC(C)C[*:1] CCCOc1nc(ccc1N)N(C)[*:1]
C=C1C(=O)O[C@@H]2/C=C(/C)C[C@H]3C=C(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)C(=O)O3 C/C=C(/C)C(=O)O[*:1] C=C1C(=O)O[C@@H]2/C=C(/C)C[C@H]3C=C(C[C@H]([C@@H]12)[*:1])C(=O)O3
C=C1C(=O)O[C@@H]2/C=C(/C)C[C@H]3C=C(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)C(=O)O3 CC=C(C)[*:1] C=C1C(=O)O[C@@H]2/C=C(/C)C[C@H]3C=C(C[C@H](OC(=O)[*:1])[C@@H]12)C(=O)O3
C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CCN1C(=O)c2ccccc2C1=O O=[N+]([O-])[*:1] C[NH+](C/C=C/c1ccccc1[*:1])CCN1C(=O)c2ccccc2C1=O
C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CCN1C(=O)c2ccccc2C1=O O=[N+]([O-])c1ccccc1[*:1] C[NH+](CC=C[*:1])CCN1C(=O)c2ccccc2C1=O
COCCn1cc[nH+]c1C1CCN(C(=O)c2ccsc2)CC1 COCC[*:1] O=C(c1ccsc1)N1CCC(CC1)c1[nH+]ccn1[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] COCCn1cc[nH+]c1C1CCN(CC1)C(=O)[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)c2ccsc2)CC1 COC[*:1] O=C(c1ccsc1)N1CCC(CC1)c1[nH+]ccn1C[*:1]
CC(C)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 CC(C)[*:1] O=C(N[C@@H]1CCN(C1)c1cccc(Cl)c1)N[*:1]
CC[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H](C)O1 O=[N+]([O-])[*:1] CC[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1c(C)ccc(c1C)[*:1]
O=C(NCCSCc1ccccc1F)[C@@H]1C[C@H]2CC[C@@H]1O2 Fc1ccccc1[*:1] O=C(NCCSC[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
COc1cccc([C@H](C)CC(=O)Nc2cccc(N3CCOC3=O)c2)c1 COc1cccc(c1)[*:1] C[C@H](CC(=O)Nc1cccc(c1)N1CCOC1=O)[*:1]
COc1cccc([C@H](C)CC(=O)Nc2cccc(N3CCOC3=O)c2)c1 O=C1OCCN1[*:1] COc1cccc(c1)[C@H](C)CC(=O)Nc1cccc(c1)[*:1]
COC(=O)c1ccc2[nH]c(-c3cccc(Cl)c3)nc2c1 COC(=O)[*:1] Clc1cccc(c1)-c1nc2cc(ccc2[nH]1)[*:1]
Cc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1O Cc1ccc(cc1O)[*:1] O=C(C[*:1])NC[C@H](c1cccs1)[NH+]1CCCC1
Cc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1O c1csc(c1)[*:1] Cc1ccc(cc1O)CC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H](C)O1 CC(C)(C)OC(=O)N[*:1] C[C@H]1CN(C[C@@H](C)O1)C(C)(C)CNC(=O)c1cccc(c1)[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(C)(C)CNC(=O)c1cccc(c1)NC(=O)O[*:1]
CC1(C)[C@H]2CN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)C[C@H]21 C1CN(CCO1)[*:1] CC1(C)[C@H]2CN(C[C@H]21)C(=O)C(=O)Nc1cccnc1[*:1]
CC[C@H](CC(N)=S)NC(=O)Cc1cccc(F)c1F NC(=S)[*:1] CC[C@H](C[*:1])NC(=O)Cc1cccc(F)c1F
CC[C@H](CC(N)=S)NC(=O)Cc1cccc(F)c1F NC(=S)C[*:1] CC[C@H](NC(=O)Cc1cccc(F)c1F)[*:1]
CCCC[NH+]1CCC(NC(=O)N(C)CCc2cccs2)CC1 CCCC[*:1] CN(CCc1cccs1)C(=O)NC1CC[NH+](CC1)[*:1]
CCCC[NH+]1CCC(NC(=O)N(C)CCc2cccs2)CC1 CCC[*:1] CN(CCc1cccs1)C(=O)NC1CC[NH+](CC1)C[*:1]
CCCC[NH+]1CCC(NC(=O)N(C)CCc2cccs2)CC1 c1csc(c1)CC[*:1] CCCC[NH+]1CCC(CC1)NC(=O)N(C)[*:1]
CCCC[NH+]1CCC(NC(=O)N(C)CCc2cccs2)CC1 c1csc(c1)C[*:1] CCCC[NH+]1CCC(CC1)NC(=O)N(C)C[*:1]
CCCC[NH+]1CCC(NC(=O)N(C)CCc2cccs2)CC1 c1csc(c1)[*:1] CCCC[NH+]1CCC(CC1)NC(=O)N(C)CC[*:1]
O=C(CNC(=O)c1ccc(F)cc1F)NCc1nccc2ccccc12 Fc1ccc(c(F)c1)[*:1] O=C(CNC(=O)[*:1])NCc1nccc2ccccc12
C[C@@H](Cl)OC(=O)Sc1ccccc1 C[C@@H](Cl)[*:1] O=C(O[*:1])Sc1ccccc1
CNC(=S)N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNC(=S)N/N=C/c1ccc(cc1[*:1])[N+](=O)[O-]
CNC(=S)N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNC(=S)N/N=C/c1ccc(cc1[N+](=O)[O-])[*:1]
CC(C)(C)c1csc(CN2CCN(C(=O)CCc3ccccc3)CC2)n1 c1ccc(cc1)CC[*:1] CC(C)(C)c1csc(CN2CCN(CC2)C(=O)[*:1])n1
CC(C)(C)c1csc(CN2CCN(C(=O)CCc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] CC(C)(C)c1csc(CN2CCN(CC2)C(=O)C[*:1])n1
CC(C)(C)c1csc(CN2CCN(C(=O)CCc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] CC(C)(C)c1csc(CN2CCN(CC2)C(=O)CC[*:1])n1
CC(C)(C)c1csc(CN2CCN(C(=O)CCc3ccccc3)CC2)n1 CC(C)(C)[*:1] O=C(CCc1ccccc1)N1CCN(CC1)Cc1nc(cs1)[*:1]
CCc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 FC(F)[*:1] CCc1ccccc1CNC(=O)c1ccc(cc1)CS(=O)(=O)[*:1]
CCc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 O=S(=O)(C[*:1])C(F)F CCc1ccccc1CNC(=O)c1ccc(cc1)[*:1]
CCc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 CCc1ccccc1[*:1] O=C(NC[*:1])c1ccc(cc1)CS(=O)(=O)C(F)F
CCc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 O=S(=O)(C(F)F)[*:1] CCc1ccccc1CNC(=O)c1ccc(cc1)C[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc2OCCOc2c1)[*:1]
Cc1noc2ncc(C(=O)N3CCC[C@H]3c3cnn(C)c3)cc12 Cn1cc(cn1)[*:1] Cc1noc2ncc(cc12)C(=O)N1CCC[C@@H]1[*:1]
CC(C)C[NH+]1CCNC(=O)C1 CC(C)[*:1] O=C1C[NH+](CCN1)C[*:1]
O=C([O-])C1([C@H]2CCC[C@H]2O)CCCCC1 O=C([O-])[*:1] O[C@@H]1CCC[C@@H]1C1(CCCCC1)[*:1]
C[C@@H](OC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)[C@@H]1CCOC1 Fc1ccc(c(F)c1)[*:1] C[C@@H](OC(=O)CCc1ncc(o1)[*:1])[C@@H]1CCOC1
C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(F)ccc1C(=O)[O-] O=C([O-])[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(F)ccc1[*:1]
COc1ccc([C@H](NC(=O)Cc2ccc(C)c(O)c2)C2CCOCC2)cc1 Cc1ccc(cc1O)[*:1] COc1ccc(cc1)[C@H](NC(=O)C[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)Cc2ccc(C)c(O)c2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1O)CC(=O)N[C@H](C1CCOCC1)[*:1]
COc1ccc([C@H](NC(=O)Cc2ccc(C)c(O)c2)C2CCOCC2)cc1 Cc1ccc(cc1O)C[*:1] COc1ccc(cc1)[C@H](NC(=O)[*:1])C1CCOCC1
COc1ccc([C@H](NC(=O)Cc2ccc(C)c(O)c2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)Cc1ccc(C)c(O)c1)[*:1]
COCCOc1ccc(NC(=O)/C=C/c2ccnn2C)cc1 COCCO[*:1] Cn1nccc1/C=C/C(=O)Nc1ccc(cc1)[*:1]
COCCOc1ccc(NC(=O)/C=C/c2ccnn2C)cc1 Cn1nccc1[*:1] COCCOc1ccc(cc1)NC(=O)C=C[*:1]
COCCOc1ccc(NC(=O)/C=C/c2ccnn2C)cc1 COCC[*:1] Cn1nccc1/C=C/C(=O)Nc1ccc(cc1)O[*:1]
COCCOc1ccc(NC(=O)/C=C/c2ccnn2C)cc1 COC[*:1] Cn1nccc1/C=C/C(=O)Nc1ccc(cc1)OC[*:1]
COc1ccccc1NC(=O)Nc1ccc2sc(NS(=O)(=O)c3ccc(C)cc3)nc2c1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)Nc1ccc2sc(nc2c1)NS(=O)(=O)[*:1]
COc1ccccc1NC(=O)Nc1ccc2sc(NS(=O)(=O)c3ccc(C)cc3)nc2c1 COc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1nc2cc(ccc2s1)NC(=O)N[*:1]
Cn1cc(C#N)cc1C(=O)Nc1cccc[n+]1Cc1ccccc1 c1ccc(cc1)[*:1] Cn1cc(C#N)cc1C(=O)Nc1cccc[n+]1C[*:1]
Cn1cc(C#N)cc1C(=O)Nc1cccc[n+]1Cc1ccccc1 Cn1cc(C#N)cc1[*:1] O=C(Nc1cccc[n+]1Cc1ccccc1)[*:1]
Cn1cc(C#N)cc1C(=O)Nc1cccc[n+]1Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1cc(C#N)cc1C(=O)Nc1cccc[n+]1[*:1]
CC(=O)N(C)CC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(=O)N(C)CC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CC(=O)N(C)CC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 Fc1ccc(cc1)[*:1] CC(=O)N(C)CC(=O)N[C@@H]([C@H]1CCCO1)[*:1]
CC(=O)N(C)CC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 CC(=O)N(C)[*:1] O=C(C[*:1])N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1
CC(=O)N(C)CC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 CC(=O)N(C)C[*:1] O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)[*:1]
CC[C@H]1CCC[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)N[C@@H](CS(C)(=O)=O)[*:1]
CC[C@H]1CCC[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 CC[C@H]1CCC[C@H](C1)[*:1] CS(=O)(=O)C[C@H](NC(=O)N[*:1])c1ccccc1
CC[C@H]1CCC[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 CS(=O)(=O)[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)N[C@@H](C[*:1])c1ccccc1
CC[C@H]1CCC[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1 CS(=O)(=O)C[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)N[C@@H](c1ccccc1)[*:1]
CN(C(=O)CNS(C)(=O)=O)C1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN(C(=O)CNS(C)(=O)=O)C1CCN(CC1)[*:1]
CN(C(=O)CNS(C)(=O)=O)C1CCN(c2ccc(F)cc2)CC1 CS(=O)(=O)N[*:1] CN(C(=O)C[*:1])C1CCN(CC1)c1ccc(F)cc1
CN(C(=O)CNS(C)(=O)=O)C1CCN(c2ccc(F)cc2)CC1 CS(=O)(=O)NC[*:1] CN(C(=O)[*:1])C1CCN(CC1)c1ccc(F)cc1
O=S(=O)(CCc1ccccc1)[N-]c1cncnc1-c1ccccc1 c1ccc(cc1)C[*:1] O=S(=O)(C[*:1])[N-]c1cncnc1-c1ccccc1
O=S(=O)(CCc1ccccc1)[N-]c1cncnc1-c1ccccc1 c1ccc(cc1)CC[*:1] O=S(=O)([N-]c1cncnc1-c1ccccc1)[*:1]
O=S(=O)(CCc1ccccc1)[N-]c1cncnc1-c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(CCc1ccccc1)[N-]c1cncnc1[*:1]
O=S(=O)(CCc1ccccc1)[N-]c1cncnc1-c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(CC[*:1])[N-]c1cncnc1-c1ccccc1
CCC(=O)N[C@@H](C)CC1=c2ccccc2=[NH+]C1 CCC(=O)N[*:1] C[C@@H](CC1C[NH+]=c2ccccc2=1)[*:1]
CC(=O)c1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)c1 CC(=O)c1cccc(c1)[*:1] Cc1nn(-c2ccccc2)c(c1C(=O)N[*:1])-n1cccc1
CC(=O)c1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)c1 c1ccn(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1c(C)nn(-c2ccccc2)c1[*:1]
CC(=O)c1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1c(C)nn(c1-n1cccc1)[*:1]
CC(=O)c1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)c1 CC(=O)[*:1] Cc1nn(-c2ccccc2)c(c1C(=O)Nc1cccc(c1)[*:1])-n1cccc1
Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)c(Cl)c1 NC(=O)[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)N1c2ccccc2C[C@@H]1[*:1]
COc1cc(OC)c(C2=CC[NH+](CC(=O)Nc3nc(C)cs3)CC2)c(OC)c1 Cc1csc(n1)NC(=O)[*:1] COc1cc(OC)c(C2=CC[NH+](CC2)C[*:1])c(c1)OC
COc1cc(OC)c(C2=CC[NH+](CC(=O)Nc3nc(C)cs3)CC2)c(OC)c1 Cc1csc(n1)[*:1] COc1cc(OC)c(C2=CC[NH+](CC2)CC(=O)N[*:1])c(c1)OC
CC[C@@H](NC(=O)c1oc2ccc(Cl)cc2c1C)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)c1oc2ccc(Cl)cc2c1C)[*:1]
CC[C@@H](NC(=O)c1oc2ccc(Cl)cc2c1C)C(=O)OC CC[C@@H](C(=O)OC)[*:1] Cc1c(oc2ccc(Cl)cc12)C(=O)N[*:1]
O=C(c1cc(Cl)c2ccccc2c1O)N1CCC[C@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(c1cc(Cl)c2ccccc2c1O)N1CCC[C@@H]1[*:1]
COc1cccc(CN(C[C@H]2CC(c3ccccc3)=NO2)C(=O)NC(C)C)c1 CC(C)[*:1] COc1cccc(c1)CN(C[C@H]1CC(=NO1)c1ccccc1)C(=O)N[*:1]
COc1cccc(CN(C[C@H]2CC(c3ccccc3)=NO2)C(=O)NC(C)C)c1 COc1cccc(c1)[*:1] CC(C)NC(=O)N(C[C@H]1CC(=NO1)c1ccccc1)C[*:1]
COc1cccc(CN(C[C@H]2CC(c3ccccc3)=NO2)C(=O)NC(C)C)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CN(C[C@H]1CC(=NO1)[*:1])C(=O)NC(C)C
COc1cccc(CN(C[C@H]2CC(c3ccccc3)=NO2)C(=O)NC(C)C)c1 COc1cccc(c1)C[*:1] CC(C)NC(=O)N(C[C@H]1CC(=NO1)c1ccccc1)[*:1]
CC[C@H](C)NC(=O)CNc1cc(Cl)cc(Cl)c1 CC[C@H](C)[*:1] O=C(CNc1cc(Cl)cc(Cl)c1)N[*:1]
COc1cccc2sc(N3CCN(C(=O)[C@@H]4CCCN4S(=O)(=O)c4cccs4)CC3)nc12 c1csc(c1)[*:1] COc1cccc2sc(nc12)N1CCN(CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
C=CCOCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 C=CCOC[*:1] O=C(c1ccc2OCOc2c1)N1CCC(CC1)[*:1]
C=CCOCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 C=CCO[*:1] O=C(c1ccc2OCOc2c1)N1CCC(CC1)C[*:1]
C=CCOCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 C=CC[*:1] O=C(c1ccc2OCOc2c1)N1CCC(CC1)CO[*:1]
CC(C)[C@@H](C[C@H](O)c1ccccc1)[C@@H](C)O C[C@@H](O)[*:1] CC(C)[C@@H](C[C@H](O)c1ccccc1)[*:1]
CC(C)[C@@H](C[C@H](O)c1ccccc1)[C@@H](C)O CC(C)[*:1] C[C@@H](O)[C@H](C[C@H](O)c1ccccc1)[*:1]
Fc1ccccc1COC1CC[NH+](CCCc2nc3ccccc3o2)CC1 Fc1ccccc1C[*:1] c1ccc2oc(CCC[NH+]3CCC(CC3)O[*:1])nc2c1
Fc1ccccc1COC1CC[NH+](CCCc2nc3ccccc3o2)CC1 Fc1ccccc1CO[*:1] c1ccc2oc(CCC[NH+]3CCC(CC3)[*:1])nc2c1
Fc1ccccc1COC1CC[NH+](CCCc2nc3ccccc3o2)CC1 Fc1ccccc1[*:1] c1ccc2oc(CCC[NH+]3CCC(CC3)OC[*:1])nc2c1
Fc1ccccc1COC1CC[NH+](CCCc2nc3ccccc3o2)CC1 c1ccc2oc(nc2c1)[*:1] Fc1ccccc1COC1CC[NH+](CCC[*:1])CC1
CO[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)c1ccc(nc1)C(F)(F)F)[*:1]
CO[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1)c1ccc(F)cc1 FC(F)(F)[*:1] CO[C@@H](CNC(=O)c1ccc(nc1)[*:1])c1ccc(F)cc1
Nc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccn2)cs1 Nc1nc(cs1)C[*:1] O=C(C[C@@H]1C(=O)NCCN1Cc1ccccn1)NC[*:1]
Nc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccn2)cs1 Nc1nc(cs1)CC[*:1] O=C(C[C@@H]1C(=O)NCCN1Cc1ccccn1)N[*:1]
Nc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccn2)cs1 Nc1nc(cs1)[*:1] O=C(C[C@@H]1C(=O)NCCN1Cc1ccccn1)NCC[*:1]
Nc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccn2)cs1 c1ccc(C[*:1])nc1 Nc1nc(cs1)CCNC(=O)C[C@@H]1C(=O)NCCN1[*:1]
Nc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccn2)cs1 c1ccc(nc1)[*:1] Nc1nc(cs1)CCNC(=O)C[C@@H]1C(=O)NCCN1C[*:1]
O=C(c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(c1ccc(cc1)/N=C1\N[C@H]2CS(=O)(=O)C[C@@H]2S1)N1CC[NH+](CC1)[*:1]
CS[C@H](C)C(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CS[C@H](C)C(=O)N(CCc1ccc(C)cc1)[*:1]
CS[C@H](C)C(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 CS[C@H](C)[*:1] Cc1ccc(cc1)CCN(C[C@@H]1CCCO1)C(=O)[*:1]
CS[C@H](C)C(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 Cc1ccc(cc1)[*:1] CS[C@H](C)C(=O)N(CC[*:1])C[C@@H]1CCCO1
CS[C@H](C)C(=O)N(CCc1ccc(C)cc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CS[C@H](C)C(=O)N(CCc1ccc(C)cc1)C[*:1]
CC(C)(C)C[NH2+]C[C@]1(O)CCCN(CC(C)(C)C)C1=O CC(C)(C)C[*:1] CC(C)(C)C[NH2+]C[C@]1(O)CCCN(C1=O)[*:1]
CC(C)(C)C[NH2+]C[C@]1(O)CCCN(CC(C)(C)C)C1=O CC(C)(C)[*:1] CC(C)(C)C[NH2+]C[C@]1(O)CCCN(C[*:1])C1=O
CC(C)(C)C[NH2+]C[C@]1(O)CCCN(CC(C)(C)C)C1=O CC(C)(C)[*:1] CC(C)(C)CN1CCC[C@@](O)(C[NH2+]C[*:1])C1=O
CC(C)(C)C[NH2+]C[C@]1(O)CCCN(CC(C)(C)C)C1=O CC(C)(C)C[*:1] CC(C)(C)CN1CCC[C@@](O)(C[NH2+][*:1])C1=O
O=C(NC1CC1)[C@H](c1ccccc1)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@H](N1CCO[C@H](C1)c1ccccc1)[*:1]
O=C(NC1CC1)[C@H](c1ccccc1)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@H](c1ccccc1)N1CCO[C@@H](C1)[*:1]
O=C(NC1CC1)[C@H](c1ccccc1)N1CCO[C@@H](c2ccccc2)C1 C1CC1[*:1] O=C(N[*:1])[C@H](c1ccccc1)N1CCO[C@H](C1)c1ccccc1
O=C(NC1CC1)[C@H](c1ccccc1)N1CCO[C@@H](c2ccccc2)C1 O=C(NC1CC1)[*:1] c1ccc(cc1)[C@H]1CN(CCO1)[C@@H](c1ccccc1)[*:1]
COCCN1CCC[NH+](CCOC)CC1 COCC[*:1] COCC[NH+]1CCCN(CC1)[*:1]
COCCN1CCC[NH+](CCOC)CC1 COCC[*:1] COCCN1CCC[NH+](CC1)[*:1]
COCCN1CCC[NH+](CCOC)CC1 COC[*:1] COCCN1CCC[NH+](CC1)C[*:1]
COCCN1CCC[NH+](CCOC)CC1 COC[*:1] COCC[NH+]1CCCN(CC1)C[*:1]
COCc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] COCc1ccccc1C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
COCc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 COC[*:1] C[C@H](NC(=O)c1ccccc1[*:1])c1ccc(cc1)-n1cccn1
CCc1cc2c(=O)c(-c3nc(C)cs3)c(C(F)(F)F)oc2cc1O FC(F)(F)[*:1] CCc1cc2c(=O)c(-c3nc(C)cs3)c(oc2cc1O)[*:1]
CCc1cc2c(=O)c(-c3nc(C)cs3)c(C(F)(F)F)oc2cc1O Cc1csc(n1)[*:1] CCc1cc2c(=O)c(c(oc2cc1O)C(F)(F)F)[*:1]
CN(C(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)[C@H]1CCCc2ccccc21 Fc1ccc(cc1)[*:1] CN(C(=O)CSc1n[nH]c(C=C[*:1])n1)[C@H]1CCCc2ccccc21
CN(C(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)[C@H]1CCCc2ccccc21 Fc1ccc(C=C[*:1])cc1 CN(C(=O)CSc1n[nH]c(n1)[*:1])[C@H]1CCCc2ccccc21
CCCn1c(=O)n(C)c(=O)c2sc3c(c21)COC(C)(C)C3 CCC[*:1] Cn1c(=O)c2sc3CC(C)(C)OCc3c2n(c1=O)[*:1]
CCc1[nH+]ccn1CC(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1 OCc1ccc(cc1)[*:1] CCc1[nH+]ccn1CC(=O)N1CC[C@@H](C1)C[*:1]
O=C(c1ccc(NC2CCCCCC2)nc1)N1CCC(N2CCOCC2)CC1 C1CCCC(CC1)N[*:1] O=C(c1ccc(nc1)[*:1])N1CCC(CC1)N1CCOCC1
O=C(c1ccc(NC2CCCCCC2)nc1)N1CCC(N2CCOCC2)CC1 C1CCCC(CC1)[*:1] O=C(c1ccc(nc1)N[*:1])N1CCC(CC1)N1CCOCC1
O=C(c1ccc(NC2CCCCCC2)nc1)N1CCC(N2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(c1ccc(nc1)NC1CCCCCC1)N1CCC(CC1)[*:1]
CCc1ccccc1OC1CN(C(=O)Cc2ccsc2)C1 c1cc(cs1)[*:1] CCc1ccccc1OC1CN(C1)C(=O)C[*:1]
CCc1ccccc1OC1CN(C(=O)Cc2ccsc2)C1 c1cc(cs1)C[*:1] CCc1ccccc1OC1CN(C1)C(=O)[*:1]
COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 COC(=O)CCNC(=O)[*:1] O=C1c2ccccc2[C@@H](C2(CCCCC2)N1C1CCCCC1)[*:1]
COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 COC(=O)CC[*:1] O=C(N[*:1])[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2
COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 COC(=O)C[*:1] O=C(NC[*:1])[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2
COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 C1CCC(CC1)[*:1] COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C12CCCCC2)[*:1]
COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 COC(=O)[*:1] O=C(NCC[*:1])[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2
Cc1ccsc1CNC(=O)CSc1nncn1-c1ccccc1 Cc1ccsc1C[*:1] O=C(CSc1nncn1-c1ccccc1)N[*:1]
Cc1ccsc1CNC(=O)CSc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccsc1CNC(=O)CSc1nncn1[*:1]
Cc1ccsc1CNC(=O)CSc1nncn1-c1ccccc1 Cc1ccsc1[*:1] O=C(CSc1nncn1-c1ccccc1)NC[*:1]
Fc1cc(CBr)cc(F)c1OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Fc1cc(cc(F)c1OC[*:1])CBr
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)c3nccnc3N)cc2C1 Nc1nccnc1[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)NNC(=O)[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)c3nccnc3N)cc2C1 CC(C)(C)[*:1] Nc1nccnc1C(=O)NNC(=O)c1cc2C[C@@H](CCc2s1)[*:1]
CCc1ncncc1C(=O)N1CCN(Cc2ccco2)CC1 c1coc(c1)[*:1] CCc1ncncc1C(=O)N1CCN(CC1)C[*:1]
CCc1ncncc1C(=O)N1CCN(Cc2ccco2)CC1 c1coc(c1)C[*:1] CCc1ncncc1C(=O)N1CCN(CC1)[*:1]
Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Cc1ccccc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
C[NH2+][C@H](C)c1cc(F)c(C)cc1N(C)CC(C)(C)O CC(C)(O)[*:1] C[NH2+][C@H](C)c1cc(F)c(C)cc1N(C)C[*:1]
C[NH2+][C@H](C)c1cc(F)c(C)cc1N(C)CC(C)(C)O CC(C)(O)C[*:1] C[NH2+][C@H](C)c1cc(F)c(C)cc1N(C)[*:1]
COc1cccc(CSCC(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CSCC(=O)N(C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H](C)Sc1nnc(C(C)(C)C)n1N CCC[C@@H](C)[*:1] C[C@@H](Sc1nnc(n1N)C(C)(C)C)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H](C)Sc1nnc(C(C)(C)C)n1N CCC[*:1] C[C@@H](Sc1nnc(n1N)C(C)(C)C)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H](C)Sc1nnc(C(C)(C)C)n1N CC(C)(C)[*:1] CCC[C@@H](C)NC(=O)[C@@H](C)Sc1nnc(n1N)[*:1]
COc1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cn1 c1ccc(cc1)C[*:1] COc1ccc(cn1)NC(=O)c1csc(n1)[*:1]
COc1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cn1 c1ccc(cc1)[*:1] COc1ccc(cn1)NC(=O)c1csc(C[*:1])n1
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCCC2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)S(=O)(=O)N(c1ccccc1C(=O)N1CCCC1)[*:1]
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccc1N(Cc1ccccc1)S(=O)(=O)[*:1])N1CCCC1
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCCC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccccc1C(=O)N1CCCC1
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc1[*:1]
Cc1cccc(S(=O)(=O)[C@H]2c3nc4ccccc4nc3N(/N=C/C3=c4ccccc4=[NH+]C3)[C@@H]2N)c1 Cc1cccc(c1)S(=O)(=O)[*:1] N[C@@H]1[C@H](c2nc3ccccc3nc2N1/N=C/C1C[NH+]=c2ccccc2=1)[*:1]
Cc1cccc(S(=O)(=O)[C@H]2c3nc4ccccc4nc3N(/N=C/C3=c4ccccc4=[NH+]C3)[C@@H]2N)c1 Cc1cccc(c1)[*:1] N[C@@H]1[C@H](c2nc3ccccc3nc2N1/N=C/C1C[NH+]=c2ccccc2=1)S(=O)(=O)[*:1]
CC(=O)NCc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)s1 CC(=O)NC[*:1] CC(C)(C)c1ncc(cn1)NC(=O)c1ccc(s1)[*:1]
CC(=O)NCc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)s1 CC(=O)N[*:1] CC(C)(C)c1ncc(cn1)NC(=O)c1ccc(C[*:1])s1
CC(=O)NCc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)s1 CC(C)(C)[*:1] CC(=O)NCc1ccc(s1)C(=O)Nc1cnc(nc1)[*:1]
O=C(CN1CCN(c2ccc(F)cc2)C1=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)c1ccc(F)cc1)Nc1ccccc1O[*:1]
O=C(CN1CCN(c2ccc(F)cc2)C1=O)Nc1ccccc1Oc1ccccc1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])Nc1ccccc1Oc1ccccc1
O=C(CN1CCN(c2ccc(F)cc2)C1=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(CN1CCN(C1=O)c1ccc(F)cc1)Nc1ccccc1[*:1]
CCC[NH2+]Cc1ccccc1-n1cc[nH+]c1C CCC[*:1] Cc1[nH+]ccn1-c1ccccc1C[NH2+][*:1]
CCC[NH2+]Cc1ccccc1-n1cc[nH+]c1C CCC[NH2+]C[*:1] Cc1[nH+]ccn1-c1ccccc1[*:1]
CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1 CN(C1CCCC1)S(=O)(=O)[*:1] O=C(Nc1nc2cc3OCOc3cc2s1)c1ccc(cc1)[*:1]
CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1 C1CCC(C1)[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2cc3OCOc3cc2s1)[*:1]
NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc[nH+]c1N1CCCC1 NC(=O)[*:1] O=C(Nc1ccc[nH+]c1N1CCCC1)N[C@H]1CCCC[C@H]1[*:1]
NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc[nH+]c1N1CCCC1 C1CCN(C1)[*:1] NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc[nH+]c1[*:1]
CCOc1cc(C)c(C)cc1-c1[nH]ncc1C=O CCO[*:1] Cc1cc(c(cc1C)[*:1])-c1[nH]ncc1C=O
Cc1noc(C)c1CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 Cc1noc(C)c1[*:1] O=C(C[*:1])Nc1cccc(c1)-c1nc2ccccc2[nH]1
Cc1noc(C)c1CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 Cc1noc(C)c1C[*:1] O=C(Nc1cccc(c1)-c1nc2ccccc2[nH]1)[*:1]
COC[C@@H](O)c1cccc2cccnc12 COC[*:1] O[C@@H](c1cccc2cccnc12)[*:1]
COC[C@@H](O)c1cccc2cccnc12 COC[C@@H](O)[*:1] c1cnc2c(cccc2c1)[*:1]
COc1ccc(I)cc1S(=O)(=O)NCc1ccccn1 c1ccc(nc1)[*:1] COc1ccc(I)cc1S(=O)(=O)NC[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)[n+]2c(sc(-c3ccccc3)c2[O-])N1C c1ccc(cc1)[*:1] CC1=C(C(=O)N[*:1])[C@H](c2ccc(F)cc2)[n+]2c(sc(-c3ccccc3)c2[O-])N1C
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)[n+]2c(sc(-c3ccccc3)c2[O-])N1C O=C(Nc1ccccc1)[*:1] CC1=C([C@H](c2ccc(F)cc2)[n+]2c(sc(-c3ccccc3)c2[O-])N1C)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)[n+]2c(sc(-c3ccccc3)c2[O-])N1C Fc1ccc(cc1)[*:1] CC1=C(C(=O)Nc2ccccc2)[C@H]([n+]2c(sc(-c3ccccc3)c2[O-])N1C)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)[n+]2c(sc(-c3ccccc3)c2[O-])N1C c1ccc(cc1)[*:1] CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)[n+]2c(sc(c2[O-])[*:1])N1C
Cc1cnc2c(c1)[nH]c(=S)n2[C@H](C)Cc1ccc(C)s1 Cc1ccc(s1)[*:1] Cc1cnc2c(c1)[nH]c(=S)n2[C@H](C)C[*:1]
CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 CC(C)[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCC[C@@H](C)C1
CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 CC(C)C[*:1] C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)[*:1]
CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OCC(N)=O)ccc32)cc1 CCOc1ccc(cc1)[*:1] CC(=O)c1c(C)n(c2ccc(cc12)OCC(N)=O)[*:1]
CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OCC(N)=O)ccc32)cc1 CC(=O)[*:1] CCOc1ccc(cc1)-n1c(C)c(c2cc(ccc21)OCC(N)=O)[*:1]
CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OCC(N)=O)ccc32)cc1 NC(=O)CO[*:1] CCOc1ccc(cc1)-n1c(C)c(C(C)=O)c2cc(ccc21)[*:1]
CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OCC(N)=O)ccc32)cc1 NC(=O)[*:1] CCOc1ccc(cc1)-n1c(C)c(C(C)=O)c2cc(ccc21)OC[*:1]
CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OCC(N)=O)ccc32)cc1 NC(=O)C[*:1] CCOc1ccc(cc1)-n1c(C)c(C(C)=O)c2cc(ccc21)O[*:1]
CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OCC(N)=O)ccc32)cc1 CCO[*:1] CC(=O)c1c(C)n(-c2ccc(cc2)[*:1])c2ccc(cc12)OCC(N)=O
OCc1ccc(OCCSc2ccccc2)cn1 c1ccc(cc1)[*:1] OCc1ccc(cn1)OCCS[*:1]
NC(=O)c1ccc(NC(=O)c2cccnc2OCC(F)F)cc1 FC(F)CO[*:1] NC(=O)c1ccc(cc1)NC(=O)c1cccnc1[*:1]
NC(=O)c1ccc(NC(=O)c2cccnc2OCC(F)F)cc1 FC(F)[*:1] NC(=O)c1ccc(cc1)NC(=O)c1cccnc1OC[*:1]
NC(=O)c1ccc(NC(=O)c2cccnc2OCC(F)F)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccnc1OCC(F)F
NC(=O)c1ccc(NC(=O)c2cccnc2OCC(F)F)cc1 FC(F)C[*:1] NC(=O)c1ccc(cc1)NC(=O)c1cccnc1O[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(cc1)[*:1]
CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)CNC(=O)[C@H]1CCCN1C(=O)[*:1])c1ccco1
CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(cc1)NC(=O)[*:1]
C[C@@H](NC(=O)/C=C/c1cccnc1)c1ccc(OC(F)(F)F)cc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)C=C[*:1])c1ccc(cc1)OC(F)(F)F
C[C@@H](NC(=O)/C=C/c1cccnc1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)/C=C/c1cccnc1)c1ccc(cc1)O[*:1]
C[C@@H](NC(=O)/C=C/c1cccnc1)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[C@@H](NC(=O)/C=C/c1cccnc1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)/C=C/c1cccnc1)c1ccc(OC(F)(F)F)cc1 C(=C[*:1])c1cccnc1 C[C@@H](NC(=O)[*:1])c1ccc(cc1)OC(F)(F)F
Cn1ncc(N2CCO[C@@H](CCNC(=O)C3(C)CC[NH2+]CC3)C2)cc1=O Cn1ncc(cc1=O)[*:1] CC1(CC[NH2+]CC1)C(=O)NCC[C@H]1CN(CCO1)[*:1]
CC(C)(C)c1ccc(SCC(=O)NC2(C(N)=O)CCCC2)cc1 CC(C)(C)[*:1] NC(=O)C1(CCCC1)NC(=O)CSc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(SCC(=O)NC2(C(N)=O)CCCC2)cc1 NC(=O)[*:1] CC(C)(C)c1ccc(cc1)SCC(=O)NC1(CCCC1)[*:1]
Cc1ccc2c(CC(=O)OCC(=O)NC(C)C)coc2c1 CC(C)NC(=O)C[*:1] Cc1ccc2c(coc2c1)CC(=O)O[*:1]
Cc1ccc2c(CC(=O)OCC(=O)NC(C)C)coc2c1 CC(C)[*:1] Cc1ccc2c(coc2c1)CC(=O)OCC(=O)N[*:1]
Cc1ccc2c(CC(=O)OCC(=O)NC(C)C)coc2c1 CC(C)NC(=O)[*:1] Cc1ccc2c(coc2c1)CC(=O)OC[*:1]
C[C@H](CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 C1CCC(CC1)[*:1] C[C@H](CC(=O)N[*:1])S(=O)(=O)c1ccc2SCC(=O)Nc2c1
CCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CCS(=O)(=O)N1CCC[C@@H](C1)[*:1]
CC(C)c1csc(CNC(=O)NCC2(C)Cc3ccccc3C2)n1 CC(C)c1csc(n1)[*:1] CC1(CNC(=O)NC[*:1])Cc2ccccc2C1
CC(C)c1csc(CNC(=O)NCC2(C)Cc3ccccc3C2)n1 CC(C)[*:1] CC1(CNC(=O)NCc2nc(cs2)[*:1])Cc2ccccc2C1
O=C(CNC(=O)Cc1ccc2c(c1)CCC2)NCC(F)(F)F FC(F)(F)C[*:1] O=C(Cc1ccc2CCCc2c1)NCC(=O)N[*:1]
O=C(CNC(=O)Cc1ccc2c(c1)CCC2)NCC(F)(F)F FC(F)(F)[*:1] O=C(CNC(=O)Cc1ccc2CCCc2c1)NC[*:1]
O=C(c1cc(-c2ccccc2)no1)N1CCS[C@@H]2COCC[C@@H]21 c1ccc(cc1)[*:1] O=C(c1cc(no1)[*:1])N1CCS[C@@H]2COCC[C@@H]21
CC(=O)NCCCN(C)C(=O)NCc1cccc([N+]2=CCCC2)c1 CC(=O)NCC[*:1] CN(C[*:1])C(=O)NCc1cccc(c1)[N+]1=CCCC1
CC(=O)NCCCN(C)C(=O)NCc1cccc([N+]2=CCCC2)c1 CC(=O)NCCC[*:1] CN(C(=O)NCc1cccc(c1)[N+]1=CCCC1)[*:1]
CC(=O)NCCCN(C)C(=O)NCc1cccc([N+]2=CCCC2)c1 CC(=O)N[*:1] CN(CCC[*:1])C(=O)NCc1cccc(c1)[N+]1=CCCC1
CC(=O)NCCCN(C)C(=O)NCc1cccc([N+]2=CCCC2)c1 CC(=O)NC[*:1] CN(CC[*:1])C(=O)NCc1cccc(c1)[N+]1=CCCC1
Cc1ncc2c(n1)C[NH+](CC(=O)Nc1c(C)n[nH]c1C)CC2 Cc1n[nH]c(C)c1[*:1] Cc1ncc2CC[NH+](CC(=O)N[*:1])Cc2n1
N#Cc1csc(CNc2cnn(CC(F)(F)F)c2)c1 FC(F)(F)[*:1] N#Cc1csc(c1)CNc1cnn(c1)C[*:1]
N#Cc1csc(CNc2cnn(CC(F)(F)F)c2)c1 FC(F)(F)C[*:1] N#Cc1csc(c1)CNc1cnn(c1)[*:1]
COC(=O)c1ccc(S(=O)(=O)N2CCc3cc(F)ccc3C2)cc1Cl COC(=O)[*:1] O=S(=O)(c1ccc(c(Cl)c1)[*:1])N1CCc2cc(F)ccc2C1
CN(Cc1cccc(C#N)c1)C(=O)CCSc1ccc2c(c1)OCCO2 N#Cc1cccc(c1)[*:1] CN(C[*:1])C(=O)CCSc1ccc2OCCOc2c1
CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[*:1]
CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 CCC[*:1] C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1)[*:1]
CCCCN(CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 CCCC[*:1] CCN(C(=O)c1ccc(c(C)c1)[N+](=O)[O-])[*:1]
CCCCN(CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] CCCCN(CC)C(=O)c1ccc(c(C)c1)[*:1]
CCCCN(CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 CCC[*:1] CCN(C[*:1])C(=O)c1ccc(c(C)c1)[N+](=O)[O-]
Cc1cccn2c(=O)c(C(=O)N(CCO)CCc3ccccc3)cnc12 c1ccc(cc1)CC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(CCO)[*:1]
Cc1cccn2c(=O)c(C(=O)N(CCO)CCc3ccccc3)cnc12 c1ccc(cc1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(CCO)CC[*:1]
Cc1cccn2c(=O)c(C(=O)N(CCO)CCc3ccccc3)cnc12 OCC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(CCc1ccccc1)[*:1]
Cc1cccn2c(=O)c(C(=O)N(CCO)CCc3ccccc3)cnc12 c1ccc(cc1)C[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(CCO)C[*:1]
COCc1c(C(=O)[O-])nnn1-c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] COCc1c(nnn1-c1ccc(cc1)[*:1])C(=O)[O-]
COCc1c(C(=O)[O-])nnn1-c1ccc(S(C)(=O)=O)cc1 O=C([O-])[*:1] COCc1c(nnn1-c1ccc(cc1)S(C)(=O)=O)[*:1]
COCc1c(C(=O)[O-])nnn1-c1ccc(S(C)(=O)=O)cc1 COC[*:1] CS(=O)(=O)c1ccc(cc1)-n1nnc(C(=O)[O-])c1[*:1]
O=S(=O)(Cc1ncc(-c2cccc(F)c2)o1)c1ccccc1 Fc1cccc(c1)[*:1] O=S(=O)(Cc1ncc(o1)[*:1])c1ccccc1
O=S(=O)(Cc1ncc(-c2cccc(F)c2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Cc1ncc(o1)-c1cccc(F)c1)[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)C1 CCS[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N[C@@H]1CC[C@H](C1)[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)C1 Cc1ccc(cc1)[*:1] CCS[C@@H]1CC[C@H](C1)NC(=O)N1CCN(CC1)C(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1 CCN(CC)S(=O)(=O)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCc1ccc(cc1)[*:1]
COCc1ccc(CN2CCO[C@H](CC(=O)OC)C2)o1 COC(=O)[*:1] COCc1ccc(CN2CCO[C@@H](C2)C[*:1])o1
COCc1ccc(CN2CCO[C@H](CC(=O)OC)C2)o1 COC(=O)C[*:1] COCc1ccc(CN2CCO[C@H](C2)[*:1])o1
COCc1ccc(CN2CCO[C@H](CC(=O)OC)C2)o1 COC[*:1] COC(=O)C[C@@H]1CN(CCO1)Cc1ccc(o1)[*:1]
Cc1scc(C(=O)N2CC(C)(C)[C@@](C)(O)C2)c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1scc(C(=O)N2CC(C)(C)[C@@](C)(O)C2)c1[*:1]
CCCn1nccc1C(=O)Nc1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)NC(=O)c1ccnn1[*:1]
CCCCNC(=O)COc1ccc(Cl)cc1C=O CCC[*:1] O=Cc1cc(Cl)ccc1OCC(=O)NC[*:1]
CCCCNC(=O)COc1ccc(Cl)cc1C=O CCCC[*:1] O=Cc1cc(Cl)ccc1OCC(=O)N[*:1]
CN(C(=O)C1CC1)c1ccccc1C(=O)NNC(=O)Cc1ccc(F)cc1 CN(C(=O)C1CC1)[*:1] O=C(Cc1ccc(F)cc1)NNC(=O)c1ccccc1[*:1]
CN(C(=O)C1CC1)c1ccccc1C(=O)NNC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CN(C(=O)C1CC1)c1ccccc1C(=O)NNC(=O)[*:1]
CN(C(=O)C1CC1)c1ccccc1C(=O)NNC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)C1CC1)c1ccccc1C(=O)NNC(=O)C[*:1]
CN(C(=O)C1CC1)c1ccccc1C(=O)NNC(=O)Cc1ccc(F)cc1 C1CC1[*:1] CN(C(=O)[*:1])c1ccccc1C(=O)NNC(=O)Cc1ccc(F)cc1
CCOc1ccccc1CNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] CCOc1ccccc1CNC(=O)[C@H]1CCN(C1=O)[*:1]
CCOc1ccccc1CNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O CCO[*:1] O=C(NCc1ccccc1[*:1])[C@H]1CCN(C1=O)c1ccc(F)cc1
CCCc1cc(NC(=O)C(=O)N2CC[C@@H](c3ccccc3OC)C2)n(C)n1 COc1ccccc1[*:1] CCCc1cc(NC(=O)C(=O)N2CC[C@@H](C2)[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N2CC[C@@H](c3ccccc3OC)C2)n(C)n1 CCC[*:1] COc1ccccc1[C@@H]1CCN(C1)C(=O)C(=O)Nc1cc(nn1C)[*:1]
CCCc1cc(NC(=O)C(=O)N2CC[C@@H](c3ccccc3OC)C2)n(C)n1 CCCc1cc(n(C)n1)[*:1] COc1ccccc1[C@@H]1CCN(C1)C(=O)C(=O)N[*:1]
CN(CC(C)(C)O)c1ncc(Br)cn1 CC(C)(O)[*:1] CN(C[*:1])c1ncc(Br)cn1
CCCNC(=O)[C@H](C)[S@@](=O)c1ccc(Cl)c(Cl)c1 CCCNC(=O)[*:1] C[C@H]([S@@](=O)c1ccc(Cl)c(Cl)c1)[*:1]
CCCNC(=O)[C@H](C)[S@@](=O)c1ccc(Cl)c(Cl)c1 CCC[*:1] C[C@@H](C(=O)N[*:1])[S@@](=O)c1ccc(Cl)c(Cl)c1
COc1cc(Cl)c(CNc2ccc(F)c(NC(C)=O)c2)cc1Cl CC(=O)N[*:1] COc1cc(Cl)c(cc1Cl)CNc1ccc(F)c(c1)[*:1]
N#C/C(=C/c1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 Fc1ccc(cc1)[*:1] N#C/C(=C/c1csc(n1)[*:1])c1nc2ccccc2[nH]1
O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 Clc1ccccc1[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1Cl
O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 Clc1cc(Br)ccc1[*:1] O=C(Cc1ccccc1Cl)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 Clc1ccccc1C[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1Cl)[*:1]
O=C1NC2(CCCC2)C(=O)N1CCC(=O)N(CC1CCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C1NC2(CCCC2)C(=O)N1CCC(=O)N(CC1CCC1)[*:1]
O=C1NC2(CCCC2)C(=O)N1CCC(=O)N(CC1CCC1)c1ccccc1 C1CC(C1)C[*:1] O=C1NC2(CCCC2)C(=O)N1CCC(=O)N(c1ccccc1)[*:1]
O=C1NC2(CCCC2)C(=O)N1CCC(=O)N(CC1CCC1)c1ccccc1 C1CC(C1)[*:1] O=C1NC2(CCCC2)C(=O)N1CCC(=O)N(C[*:1])c1ccccc1
CCOc1ccc(F)c(C(=O)N2CCS[C@H]3COCC[C@H]32)c1F CCO[*:1] O=C(c1c(F)ccc(c1F)[*:1])N1CCS[C@H]2COCC[C@H]21
O=C(NCCC[NH+]1CCCCCC1)c1ccc(N2CCCCC2)cc1 C1CCN(CC1)[*:1] O=C(NCCC[NH+]1CCCCCC1)c1ccc(cc1)[*:1]
CC(C)c1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)no1 CC(C)[*:1] O=C(Nc1cc(on1)[*:1])C(=O)N[C@H]1CCCC[C@H]1OC1CCCC1
CC(C)c1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)no1 C1CCC(C1)O[*:1] CC(C)c1cc(no1)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CC(C)c1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)no1 C1CCC(C1)[*:1] CC(C)c1cc(no1)NC(=O)C(=O)N[C@H]1CCCC[C@H]1O[*:1]
CC(C)c1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)no1 CC(C)c1cc(no1)[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)C(=O)N[*:1]
CCOc1ccccc1NC(=O)N1CCS[C@@H]1c1cccc(OC)c1OC CCOc1ccccc1[*:1] COc1cccc(c1OC)[C@H]1SCCN1C(=O)N[*:1]
CCOc1ccccc1NC(=O)N1CCS[C@@H]1c1cccc(OC)c1OC CCO[*:1] COc1cccc(c1OC)[C@H]1SCCN1C(=O)Nc1ccccc1[*:1]
CCOc1ccc2cc(C(=O)N3C[C@@H](C)OCC3(C)C)[nH]c2c1 CCO[*:1] C[C@@H]1CN(C(=O)c2cc3ccc(cc3[nH]2)[*:1])C(C)(C)CO1
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1 c1cc2OCOc2cc1C[*:1] CCN(C(=O)Nc1cc(ccc1N1CCCC1)C(=O)OC)[*:1]
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1 C1CCN(C1)[*:1] CCN(Cc1ccc2OCOc2c1)C(=O)Nc1cc(ccc1[*:1])C(=O)OC
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1 c1cc2OCOc2cc1[*:1] CCN(C[*:1])C(=O)Nc1cc(ccc1N1CCCC1)C(=O)OC
CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1 COC(=O)[*:1] CCN(Cc1ccc2OCOc2c1)C(=O)Nc1cc(ccc1N1CCCC1)[*:1]
CC(C)CO[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 CC(C)C[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(F)c(F)c1
CC(C)CO[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 CC(C)[*:1] C[C@H](OC[*:1])C(=O)Nc1ccc(F)c(F)c1
CC(C)CO[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 CC(C)CO[*:1] C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[*:1]
CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(O)c2)N3)C1 Oc1cccc(c1)[*:1] CC(C)(C)[C@H]1CCc2c(C1)sc1N[C@H](NC(=O)c12)[*:1]
CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(O)c2)N3)C1 CC(C)(C)[*:1] O=C1N[C@H](Nc2sc3C[C@H](CCc3c21)[*:1])c1cccc(O)c1
COc1ccc(/N=c2\oc3ccccc3cc2C(=O)NC[C@H]2CCCO2)cc1OC COc1ccc(cc1OC)[*:1] O=C(NC[C@H]1CCCO1)c1cc2ccccc2oc1=N[*:1]
CC[C@H](O)CN1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 CC[C@H](O)C[*:1] C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCN(CC1)[*:1]
CC[C@H](O)CN1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)CO[*:1] CC[C@H](O)CN1CCN(CC1)C(=O)[C@@H](C)[*:1]
CC[C@H](O)CN1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 CC[C@H](O)[*:1] C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCN(CC1)C[*:1]
CC[C@H](O)CN1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] CC[C@H](O)CN1CCN(CC1)C(=O)[C@@H](C)O[*:1]
CC[C@H](O)CN1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] CC[C@H](O)CN1CCN(CC1)C(=O)[C@@H](C)OC[*:1]
CCCCC(=O)N(C)Cc1nnc(C2CC2)n1C CCCC[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)[*:1]
CCCCC(=O)N(C)Cc1nnc(C2CC2)n1C CCC[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)C[*:1]
CCCCC(=O)N(C)Cc1nnc(C2CC2)n1C C1CC1[*:1] CCCCC(=O)N(C)Cc1nnc(n1C)[*:1]
O=c1[nH]c(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)nc2ccsc12 c1ccc(cc1)[*:1] O=c1[nH]c(CSc2nnc(C[NH+]3CCCC3)n2[*:1])nc2ccsc12
Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)c1cc(ccc1Cl)[*:1]
CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 FC(F)(F)C[*:1] CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cnc(O[*:1])c(Cl)c1
CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 FC(F)(F)CO[*:1] CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cnc(c(Cl)c1)[*:1]
CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 FC(F)(F)[*:1] CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cnc(OC[*:1])c(Cl)c1
CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 Fc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
NC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3cccc(O)c3)CC2)C1 Oc1cccc(c1)[*:1] NC(=O)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)C[*:1]
NC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3cccc(O)c3)CC2)C1 Oc1cccc(c1)C[*:1] NC(=O)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)[*:1]
CCCOc1ccc([C@H]2NC(=O)c3n[nH]c(C)c3N2)cc1 CCC[*:1] Cc1[nH]nc2C(=O)N[C@@H](Nc21)c1ccc(cc1)O[*:1]
CCCOc1ccc([C@H]2NC(=O)c3n[nH]c(C)c3N2)cc1 CCCO[*:1] Cc1[nH]nc2C(=O)N[C@@H](Nc21)c1ccc(cc1)[*:1]
COCCCN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O COC[*:1] O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1CC[*:1]
COCCCN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O COCCC[*:1] O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1[*:1]
COCCCN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O COCC[*:1] O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1C[*:1]
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2ccoc2)c1 O=[N+]([O-])[*:1] O=C(NNc1ccc(cc1)[*:1])c1cccc(c1)-c1ccoc1
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] O=C(NNc1ccc(cc1)[N+](=O)[O-])c1cccc(c1)[*:1]
C/C(=C\C(=O)N[C@@H](C#N)c1cccc(Cl)c1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)N[C@@H](C#N)c1cccc(Cl)c1)[*:1]
CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@H]2CCC[C@@H](O)C2)cc1 CC(C)(C)[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])NC[C@H]1CCC[C@@H](O)C1
N#Cc1c(F)cccc1Sc1ncccc1C(=O)[O-] O=C([O-])[*:1] N#Cc1c(F)cccc1Sc1ncccc1[*:1]
Cc1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2Cl)cc1S(=O)(=O)N(C)C FC(F)(F)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)CNc1ccc(cc1Cl)[*:1]
Cc1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2Cl)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)CNc1ccc(cc1Cl)C(F)(F)F
S=C1[NH+]=N[C@H](c2cccnc2)N1/N=C/c1ccc(Br)s1 c1cncc(c1)[*:1] S=C1[NH+]=N[C@H](N1/N=C/c1ccc(Br)s1)[*:1]
S=C1[NH+]=N[C@H](c2cccnc2)N1/N=C/c1ccc(Br)s1 Brc1ccc(s1)[*:1] S=C1[NH+]=N[C@H](c2cccnc2)N1N=C[*:1]
COc1cn(-c2ccccc2)nc1C(=O)NCCOc1cccc(C)c1 Cc1cccc(c1)[*:1] COc1cn(nc1C(=O)NCCO[*:1])-c1ccccc1
COc1cn(-c2ccccc2)nc1C(=O)NCCOc1cccc(C)c1 Cc1cccc(c1)O[*:1] COc1cn(nc1C(=O)NCC[*:1])-c1ccccc1
COc1cn(-c2ccccc2)nc1C(=O)NCCOc1cccc(C)c1 c1ccc(cc1)[*:1] COc1cn(nc1C(=O)NCCOc1cccc(C)c1)[*:1]
BrCCC[C@H]1CCO[C@@]2(CCOC2)C1 BrCCC[*:1] C1C[C@@]2(CO1)C[C@H](CCO2)[*:1]
BrCCC[C@H]1CCO[C@@]2(CCOC2)C1 BrCC[*:1] C1C[C@@]2(CO1)C[C@H](CCO2)C[*:1]
NNC(=O)c1csc(NC(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] NNC(=O)c1csc(n1)NC(=O)[*:1]
NNC(=O)c1csc(NC(=O)c2ccccc2)n1 NNC(=O)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1
COc1cccc(/C([O-])=N/S(=O)(=O)c2ccccc2C)n1 Cc1ccccc1[*:1] COc1cccc(n1)/C([O-])=N/S(=O)(=O)[*:1]
Cc1cc(C)cc(-n2ccn3c(CCC(=O)NCc4cccnc4)nnc3c2=O)c1 O=C(NCc1cccnc1)[*:1] Cc1cc(C)cc(c1)-n1ccn2c(CC[*:1])nnc2c1=O
Cc1cc(C)cc(-n2ccn3c(CCC(=O)NCc4cccnc4)nnc3c2=O)c1 c1cncc(c1)C[*:1] Cc1cc(C)cc(c1)-n1ccn2c(CCC(=O)N[*:1])nnc2c1=O
Cc1cc(C)cc(-n2ccn3c(CCC(=O)NCc4cccnc4)nnc3c2=O)c1 Cc1cc(C)cc(c1)[*:1] O=C(CCc1nnc2c(=O)n(ccn12)[*:1])NCc1cccnc1
Cc1cc(C)cc(-n2ccn3c(CCC(=O)NCc4cccnc4)nnc3c2=O)c1 c1cncc(c1)[*:1] Cc1cc(C)cc(c1)-n1ccn2c(CCC(=O)NC[*:1])nnc2c1=O
C=CCOCCCC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 C=CCOCCC[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)[*:1]
C=CCOCCCC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 C=CCO[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)CCC[*:1]
C=CCOCCCC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 C=CCOC[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)CC[*:1]
C=CCOCCCC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 C=CCOCC[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)C[*:1]
C=CCOCCCC(=O)N(C)[C@@H]1CCCc2nc(C)sc21 C=CC[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)CCCO[*:1]
CCCn1nnc(NC(=O)CC)n1 CCC[*:1] CCC(=O)Nc1nnn(n1)[*:1]
CC[C@@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)c1cccs1 c1csc(c1)[*:1] CC[C@@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)[*:1]
CC[C@@H]1CCCC[C@H]1[C@H](O)C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@H]1CCCC[C@H]1[C@H](O)C(C)(C)[*:1]
N#Cc1ccc(-c2csc(NNC(=O)c3ccc(Cl)cc3)n2)cc1 Clc1ccc(cc1)[*:1] N#Cc1ccc(cc1)-c1csc(n1)NNC(=O)[*:1]
N#Cc1ccc(-c2csc(NNC(=O)c3ccc(Cl)cc3)n2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NNc1nc(cs1)[*:1])c1ccc(Cl)cc1
CC(C)c1nc(C[S@](=O)CC(=O)N(C(C)C)C(C)C)cs1 CC(C)[*:1] CC(C)N(C(=O)C[S@@](=O)Cc1csc(n1)[*:1])C(C)C
CC(C)c1nc(C[S@](=O)CC(=O)N(C(C)C)C(C)C)cs1 CC(C)[*:1] CC(C)c1nc(cs1)C[S@](=O)CC(=O)N(C(C)C)[*:1]
CN(C)C(=O)[C@H]1CSCN1C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl CN(C)C(=O)[*:1] O=C(/C=C/c1cc(ccc1Cl)C(F)(F)F)N1CSC[C@@H]1[*:1]
CN(C)C(=O)[C@H]1CSCN1C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] CN(C)C(=O)[C@H]1CSCN1C(=O)/C=C/c1cc(ccc1Cl)[*:1]
CCOc1ccccc1[C@@H]1CC(c2c(O)n(C)c(=S)n(C)c2=O)=NN1 CCO[*:1] Cn1c(O)c(C2C[C@H](NN=2)c2ccccc2[*:1])c(=O)n(C)c1=S
Cc1cc2c(cc1C(=O)c1ccccc1C(=O)[O-])CCCC2 O=C([O-])[*:1] Cc1cc2CCCCc2cc1C(=O)c1ccccc1[*:1]
Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])ccc21 O=C([O-])[*:1] Cn1c(=O)c(=O)n(C)c2cc(ccc21)S(=O)(=O)N1CCC[C@@H]1[*:1]
Cc1cccc([C@H]([NH3+])Cc2ncc[nH]2)c1 c1c[nH]c(n1)[*:1] Cc1cccc(c1)[C@H]([NH3+])C[*:1]
CC1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)CC1 Fc1cc(F)cc(c1)[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCc1nn(C)cc1CNC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 CCc1nn(C)cc1[*:1] CCN(C1CCN(CC1)C(=O)NC[*:1])S(C)(=O)=O
CCc1nn(C)cc1CNC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 CCN(S(C)(=O)=O)[*:1] CCc1nn(C)cc1CNC(=O)N1CCC(CC1)[*:1]
C[C@@H](NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccco1 C[C@@H](c1ccco1)[*:1] CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N[*:1])O1
C[C@@H](NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccco1 CN(C)C(=O)[*:1] C[C@@H](NC(=O)NC[C@H]1CC[C@H](O1)[*:1])c1ccco1
C[C@@H](NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)NC[C@H]1CC[C@@H](O1)C(=O)N(C)C)[*:1]
CCCn1nc(C)nc1-c1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] CCCn1nc(C)nc1-c1cc(n[nH]1)[*:1]
CCCn1nc(C)nc1-c1cc(-c2ccccc2)n[nH]1 CCC[*:1] Cc1nc(-c2cc(n[nH]2)-c2ccccc2)n(n1)[*:1]
CCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCOc1cc(C)ccc1NC(=O)C(=O)N[*:1]
CCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(F)cc1 CCO[*:1] Cc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)c(c1)[*:1]
CCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOc1cc(C)ccc1NC(=O)C(=O)NC[*:1]
CCC[C@@H](C)CC(=O)[C@H]1CSCCO1 CCC[*:1] C[C@@H](CC(=O)[C@H]1CSCCO1)[*:1]
CCCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1OC CCCO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1cc(F)ccc1C
CCCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1OC CCC[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1cc(F)ccc1C
O=C(NC[C@]1(c2ccccc2)CCCOCC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NC[C@@]1(CCCOCC1)c1ccccc1)[*:1]
O=C(NC[C@]1(c2ccccc2)CCCOCC1)C1CCCCC1 c1ccc(cc1)[*:1] O=C(NC[C@@]1(CCCOCC1)[*:1])C1CCCCC1
O=C([O-])/C=C/c1cc(F)cc(CN2CCCCC2=O)c1 O=C([O-])[*:1] O=C1CCCCN1Cc1cc(F)cc(C=C[*:1])c1
O=C([O-])/C=C/c1cc(F)cc(CN2CCCCC2=O)c1 O=C([O-])C=C[*:1] O=C1CCCCN1Cc1cc(F)cc(c1)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3ccc(=O)n(C)n3)cc2)n1 Cn1nc(ccc1=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)NC(=O)[C@H]1CCCCN1C(=O)[*:1]
Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3ccc(=O)n(C)n3)cc2)n1 Cc1cc(C)n(n1)[*:1] Cn1nc(ccc1=O)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)N[C@@H]1CCC[C@H]1[*:1]
O=C(NC(c1cccs1)c1cccs1)c1ccc([N+](=O)[O-])cc1 c1csc(c1)[*:1] O=C(NC(c1cccs1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(NC(c1cccs1)c1cccs1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NC(c1cccs1)c1cccs1)c1ccc(cc1)[*:1]
CCSc1nc([O-])cc(=O)[nH]1 CCS[*:1] O=c1cc([O-])nc([nH]1)[*:1]
CC(C)n1cc[nH+]c1Cn1nc(C2CC[NH2+]CC2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] CC(C)n1cc[nH+]c1Cn1nc(C2CC[NH2+]CC2)n(c1=O)[*:1]
CC(C)n1cc[nH+]c1Cn1nc(C2CC[NH2+]CC2)n(-c2ccccc2)c1=O CC(C)[*:1] O=c1n(Cc2[nH+]ccn2[*:1])nc(C2CC[NH2+]CC2)n1-c1ccccc1
Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)s1 Cc1ccccc1O[*:1] O=C(NC1CCCC1)c1ccc(cc1)NC(=O)c1nnc(C[*:1])s1
Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)s1 Cc1ccccc1OC[*:1] O=C(NC1CCCC1)c1ccc(cc1)NC(=O)c1nnc(s1)[*:1]
Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)s1 Cc1ccccc1[*:1] O=C(NC1CCCC1)c1ccc(cc1)NC(=O)c1nnc(CO[*:1])s1
Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)s1 O=C(NC1CCCC1)[*:1] Cc1ccccc1OCc1nnc(s1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)s1 C1CCC(C1)[*:1] Cc1ccccc1OCc1nnc(s1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC[C@H](C)[C@@]1(C)C(=N)NC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@@]1(C)C(=N)NC(=O)N1C[*:1]
CC(C)n1cnnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 CC(C)[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nncn1[*:1])c1ccc(F)cc1
CC(C)n1cnnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)n1cnnc1S[C@H](C)C(=O)N[C@@H](C)[*:1]
C[C@H](NC(=O)COC(=O)CN1C(=O)CCC1=O)c1ccc2ccccc2c1 O=C1CCC(=O)N1C[*:1] C[C@H](NC(=O)COC(=O)[*:1])c1ccc2ccccc2c1
C[C@H](NC(=O)COC(=O)CN1C(=O)CCC1=O)c1ccc2ccccc2c1 O=C1CCC(=O)N1[*:1] C[C@H](NC(=O)COC(=O)C[*:1])c1ccc2ccccc2c1
COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3NC(=O)C[C@H]3C)CC2)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CC(=O)NN1CC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C1NCCC[C@@H]1NC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C1NCCC[C@@H]1NC(=O)[C@H]1CN(CCN1C(=O)N[*:1])C(=O)Nc1ccccc1
O=C1NCCC[C@@H]1NC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)NC1CCCCC1 c1ccc(cc1)[*:1] O=C1NCCC[C@@H]1NC(=O)[C@H]1CN(CCN1C(=O)NC1CCCCC1)C(=O)N[*:1]
C[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1Cc1[nH+]ccn1C C[C@@](C#N)(C1CC1)[*:1] C[C@@H]1CN(CCN1Cc1[nH+]ccn1C)CC(=O)N[*:1]
C[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1Cc1[nH+]ccn1C C1CC1[*:1] C[C@@H]1CN(CCN1Cc1[nH+]ccn1C)CC(=O)N[C@@](C)(C#N)[*:1]
Cc1cccc([C@@H](C)CNC(=O)C2CCN(C(=O)C(C)C)CC2)c1 Cc1cccc(c1)[*:1] CC(C)C(=O)N1CCC(CC1)C(=O)NC[C@H](C)[*:1]
Cc1cccc([C@@H](C)CNC(=O)C2CCN(C(=O)C(C)C)CC2)c1 CC(C)[*:1] Cc1cccc(c1)[C@@H](C)CNC(=O)C1CCN(CC1)C(=O)[*:1]
Cn1cnnc1SCC(=O)N[C@@H]1CCCc2ccc(F)cc21 Cn1cnnc1[*:1] O=C(CS[*:1])N[C@@H]1CCCc2ccc(F)cc21
Cn1cnnc1SCC(=O)N[C@@H]1CCCc2ccc(F)cc21 Cn1cnnc1S[*:1] O=C(C[*:1])N[C@@H]1CCCc2ccc(F)cc21
COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 COC(=O)[C@@H](C)NC(=O)[*:1] O=[N+]([O-])c1cc(ccc1N[C@@H]1CCc2ccccc21)[*:1]
COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 COC(=O)[C@@H](C)[*:1] O=C(N[*:1])c1ccc(N[C@@H]2CCc3ccccc32)c(c1)[N+](=O)[O-]
COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 c1ccc2c(c1)CC[C@H]2[*:1] COC(=O)[C@@H](C)NC(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H]2CCc3ccccc32)c(c1)[*:1]
COC(=O)[C@@H](C)NC(=O)c1ccc(N[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 COC(=O)[*:1] C[C@@H](NC(=O)c1ccc(N[C@@H]2CCc3ccccc32)c(c1)[N+](=O)[O-])[*:1]
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCCC2(C)C)cc1 CC1(C)CCCN1C(=O)[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)[*:1]
O=C(NCCOc1cccc(Cl)c1Cl)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C(NCCOc1cccc(Cl)c1Cl)[*:1]
CC[C@@H](NC(=O)NCC1(C)Cc2ccccc2C1)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H](NC(=O)NCC1(C)Cc2ccccc2C1)[*:1]
Cc1cccc2cc(CN(Cc3cccs3)C(=O)c3ccccc3)c(=O)[nH]c12 c1csc(c1)[*:1] Cc1cccc2cc(CN(C[*:1])C(=O)c3ccccc3)c(=O)[nH]c12
Cc1cccc2cc(CN(Cc3cccs3)C(=O)c3ccccc3)c(=O)[nH]c12 c1csc(c1)C[*:1] Cc1cccc2cc(CN(C(=O)c3ccccc3)[*:1])c(=O)[nH]c12
Cc1cccc2cc(CN(Cc3cccs3)C(=O)c3ccccc3)c(=O)[nH]c12 c1ccc(cc1)[*:1] Cc1cccc2cc(CN(Cc3cccs3)C(=O)[*:1])c(=O)[nH]c12
COc1ccc(C(=O)NCC[NH2+][C@H]2CC(C)(C)Oc3ccccc32)cc1 COc1ccc(cc1)[*:1] CC1(C)C[C@H]([NH2+]CCNC(=O)[*:1])c2ccccc2O1
Cc1ncc(C(=O)N2CCOc3cc(F)ccc32)s1 Cc1ncc(s1)[*:1] O=C(N1CCOc2cc(F)ccc21)[*:1]
O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 O=C(C[*:1])N1CCCC1 O=C(Nc1cccc(c1)O[*:1])[C@@H]1C[C@@H]1c1ccc(Cl)cc1
O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 O=C(CO[*:1])N1CCCC1 O=C(Nc1cccc(c1)[*:1])[C@@H]1C[C@@H]1c1ccc(Cl)cc1
O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 O=C(N1CCCC1)[*:1] O=C(Nc1cccc(c1)OC[*:1])[C@@H]1C[C@@H]1c1ccc(Cl)cc1
O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)OCC(=O)N1CCCC1)[C@@H]1C[C@H]1[*:1]
CCOc1ccc(N2C(=O)C[C@H](S/C(=N\c3cccc(F)c3)NC)C2=O)cc1 CCOc1ccc(cc1)[*:1] CN/C(=N/c1cccc(F)c1)S[C@H]1CC(=O)N(C1=O)[*:1]
CCOc1ccc(N2C(=O)C[C@H](S/C(=N\c3cccc(F)c3)NC)C2=O)cc1 Fc1cccc(c1)[*:1] CCOc1ccc(cc1)N1C(=O)C[C@H](SC(=N[*:1])NC)C1=O
CCOc1ccc(N2C(=O)C[C@H](S/C(=N\c3cccc(F)c3)NC)C2=O)cc1 CCO[*:1] CN/C(=N/c1cccc(F)c1)S[C@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
O=C(CSc1nccn1-c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CSc1nccn1-c1ccccc1)Nc1ccc(cc1)O[*:1]
O=C(CSc1nccn1-c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(CSc1nccn1-c1ccccc1)Nc1ccc(cc1)[*:1]
O=C(CSc1nccn1-c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C(CSc1nccn1[*:1])Nc1ccc(cc1)OC(F)(F)F
Cl[C@@H](CNc1ccc2nnnn2n1)c1ccccc1 c1ccc(cc1)[*:1] Cl[C@@H](CNc1ccc2nnnn2n1)[*:1]
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1O[*:1]
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC[*:1]
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1[*:1]
Cc1ccc(NC(=O)NNc2nc3ccccc3s2)s1 Cc1ccc(s1)[*:1] O=C(NNc1nc2ccccc2s1)N[*:1]
O=C(NCCc1nnc2ccc(NCc3cccnc3)nn12)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1nnc2ccc(nn12)NCc1cccnc1)[*:1]
O=C(NCCc1nnc2ccc(NCc3cccnc3)nn12)c1ccccc1 c1cncc(c1)C[*:1] O=C(NCCc1nnc2ccc(nn12)N[*:1])c1ccccc1
O=C(NCCc1nnc2ccc(NCc3cccnc3)nn12)c1ccccc1 c1cncc(c1)CN[*:1] O=C(NCCc1nnc2ccc(nn12)[*:1])c1ccccc1
O=C(NCCc1nnc2ccc(NCc3cccnc3)nn12)c1ccccc1 O=C(N[*:1])c1ccccc1 c1cncc(c1)CNc1ccc2nnc(CC[*:1])n2n1
O=C(NCCc1nnc2ccc(NCc3cccnc3)nn12)c1ccccc1 c1cncc(c1)[*:1] O=C(NCCc1nnc2ccc(nn12)NC[*:1])c1ccccc1
COCCc1nnc2sc(-c3cccs3)nn12 COC[*:1] c1csc(c1)-c1nn2c(C[*:1])nnc2s1
COCCc1nnc2sc(-c3cccs3)nn12 c1csc(c1)[*:1] COCCc1nnc2sc(nn12)[*:1]
COCCc1nnc2sc(-c3cccs3)nn12 COCC[*:1] c1csc(c1)-c1nn2c(nnc2s1)[*:1]
CCCn1c(=O)n(Cc2nc(Cc3ccccc3C)no2)c2ccccc21 Cc1ccccc1C[*:1] CCCn1c(=O)n(Cc2nc(no2)[*:1])c2ccccc21
CCCn1c(=O)n(Cc2nc(Cc3ccccc3C)no2)c2ccccc21 Cc1ccccc1[*:1] CCCn1c(=O)n(Cc2nc(C[*:1])no2)c2ccccc21
CCCn1c(=O)n(Cc2nc(Cc3ccccc3C)no2)c2ccccc21 CCC[*:1] Cc1ccccc1Cc1noc(Cn2c(=O)n(c3ccccc32)[*:1])n1
O=C(OCC#CCSc1ccccc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)S[*:1] O=C(OCC#CC[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(OCC#CCSc1ccccc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(OCC#CCS[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(OCC#CCSc1ccccc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(OCC#CCSc1ccccc1)c1ccc(cc1)[*:1]
O=C1N[C@@]2(CCc3ccccc31)CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2 FC(F)(F)[*:1] O=C1N[C@@]2(CCc3ccccc31)CCN(C2)S(=O)(=O)c1cccc(c1)[*:1]
Cc1nc(NC(=O)c2csc(NC3CCCC3)n2)sc1C C1CCC(C1)[*:1] Cc1nc(NC(=O)c2csc(n2)N[*:1])sc1C
Cc1nc(NC(=O)c2csc(NC3CCCC3)n2)sc1C C1CCC(C1)N[*:1] Cc1nc(NC(=O)c2csc(n2)[*:1])sc1C
Cc1nc(NC(=O)c2csc(NC3CCCC3)n2)sc1C Cc1nc(sc1C)[*:1] O=C(N[*:1])c1csc(n1)NC1CCCC1
COc1cccc(F)c1[C@H](C)NC(=O)N(Cc1ccccc1)C1CC1 C1CC1[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N(Cc1ccccc1)[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N(C[*:1])C1CC1
COc1cccc(F)c1[C@H](C)NC(=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N(C1CC1)[*:1]
CN(CC1CCCC1)S(=O)(=O)c1cccc(F)c1 C1CCC(C1)C[*:1] CN(S(=O)(=O)c1cccc(F)c1)[*:1]
CN(CC1CCCC1)S(=O)(=O)c1cccc(F)c1 C1CCC(C1)[*:1] CN(C[*:1])S(=O)(=O)c1cccc(F)c1
O=C([O-])c1ccc(Cl)nc1C(F)(F)F FC(F)(F)[*:1] O=C([O-])c1ccc(Cl)nc1[*:1]
O=C([O-])c1ccc(Cl)nc1C(F)(F)F O=C([O-])[*:1] FC(F)(F)c1nc(Cl)ccc1[*:1]
O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(CCO[*:1])CC1
O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(CC1)CC[*:1]
O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(CC1)C[*:1]
O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(CCOc2ccccc2)CC1 c1ccc(cc1)OCC[*:1] O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(CC1)[*:1]
CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 COc1cccc(c1)[*:1] CC[C@@H](O[*:1])C(=O)N1CCC[C@H]1c1ncc2C[NH2+]CCc2n1
CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 COc1cccc(c1)O[*:1] CC[C@@H](C(=O)N1CCC[C@H]1c1ncc2C[NH2+]CCc2n1)[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H](C)c1cccs1 C1CC1[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)c1cccs1)NC(=O)[*:1]
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H](C)c1cccs1 c1csc(c1)[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)[*:1])NC(=O)C1CC1
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H](C)c1cccs1 O=C(N[*:1])C1CC1 Cc1ccc(cc1NC(=O)[C@@H](C)c1cccs1)[*:1]
Cc1csc(NC(=O)N[C@H](C)c2nc3ccccc3[nH]2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)N[*:1])c1nc2ccccc2[nH]1
Cc1cc(C)n(-c2ccc(N3CC[C@H](O)C3)nn2)n1 O[C@H]1CCN(C1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)[*:1]
C[C@H]1CN(c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 c1ccc(cc1)[*:1] C[C@H]1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C1)[*:1]
O=C(NCCS(=O)(=O)N1CCOCC1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(NCCS(=O)(=O)N1CCOCC1)[C@@H]1C[C@@H]1[*:1]
C[C@H](Nc1ccccc1[N+](=O)[O-])C(=O)N(C)C O=[N+]([O-])[*:1] C[C@H](Nc1ccccc1[*:1])C(=O)N(C)C
C[C@H](Nc1ccccc1[N+](=O)[O-])C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](Nc1ccccc1[N+](=O)[O-])[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)cc1 CC(=O)N[*:1] O=C1Cc2ccccc2N1C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(N2CCOC2=O)cc1NCc1cn2ccccc2[nH+]1 O=C1OCCN1[*:1] Cc1ccc(cc1NCc1cn2ccccc2[nH+]1)[*:1]
COC(=N)c1cccc(C2CC2)c1 C1CC1[*:1] COC(=N)c1cccc(c1)[*:1]
COC(=N)c1cccc(C2CC2)c1 COC(=N)[*:1] c1cc(cc(c1)[*:1])C1CC1
O=C(Nc1ccc(/N=C/c2ccccc2O)cc1)c1cc2ccccc2o1 Oc1ccccc1C=N[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2ccccc2o1
O=C(Nc1ccc(/N=C/c2ccccc2O)cc1)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] O=C(Nc1ccc(cc1)/N=C/c1ccccc1O)[*:1]
O=C(Nc1ccc(/N=C/c2ccccc2O)cc1)c1cc2ccccc2o1 Oc1ccccc1[*:1] O=C(Nc1ccc(cc1)N=C[*:1])c1cc2ccccc2o1
Cc1ccccc1N1CCN(C(=O)c2ccc(-c3nnn(C)n3)cc2)[C@H](C)C1 Cn1nnc(n1)[*:1] Cc1ccccc1N1CCN(C(=O)c2ccc(cc2)[*:1])[C@H](C)C1
Cc1ccccc1N1CCN(C(=O)c2ccc(-c3nnn(C)n3)cc2)[C@H](C)C1 Cc1ccccc1[*:1] C[C@@H]1CN(CCN1C(=O)c1ccc(cc1)-c1nnn(C)n1)[*:1]
CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2C(=O)Nc1ccccc1CC CCc1ccccc1[*:1] CCSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2C(=O)N[*:1]
O=Cc1cccc(OCC(=O)Nc2ccc(OC(F)F)cc2)c1 FC(F)O[*:1] O=Cc1cccc(c1)OCC(=O)Nc1ccc(cc1)[*:1]
O=Cc1cccc(OCC(=O)Nc2ccc(OC(F)F)cc2)c1 FC(F)[*:1] O=Cc1cccc(c1)OCC(=O)Nc1ccc(cc1)O[*:1]
Cc1cccc(NC(=O)NCC#CCOc2cccc3cccnc23)c1 Cc1cccc(c1)[*:1] O=C(NCC#CCOc1cccc2cccnc12)N[*:1]
CCCCN1C[C@H](C(=O)N2CCCC[C@H]2C)CC1=O CCC[*:1] C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCCCN1C[C@H](C(=O)N2CCCC[C@H]2C)CC1=O CCCC[*:1] C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])C[C@H](C)C(C)C)c(F)c1 CC(C)[*:1] Cc1ccc(c(F)c1)S(=O)(=O)/N=C(\[O-])C[C@H](C)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])C[C@H](C)C(C)C)c(F)c1 CC(C)[C@@H](C)[*:1] Cc1ccc(c(F)c1)S(=O)(=O)/N=C(\[O-])C[*:1]
CN(Cc1noc(-c2cccs2)n1)S(=O)(=O)c1ccc(Cl)nc1 c1csc(c1)[*:1] CN(Cc1noc(n1)[*:1])S(=O)(=O)c1ccc(Cl)nc1
CN(Cc1noc(-c2cccs2)n1)S(=O)(=O)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CN(Cc1noc(n1)-c1cccs1)S(=O)(=O)[*:1]
C[C@H]1CN(C(=O)c2ccc(NCCOc3ccccc3F)cc2)C[C@H](C)O1 Fc1ccccc1O[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(cc1)NCC[*:1]
C[C@H]1CN(C(=O)c2ccc(NCCOc3ccccc3F)cc2)C[C@H](C)O1 Fc1ccccc1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(cc1)NCCO[*:1]
C[C@H]1CN(C(=O)c2ccc(NCCOc3ccccc3F)cc2)C[C@H](C)O1 Fc1ccccc1OC[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(cc1)NC[*:1]
Cc1cccc(C2(C(=O)NCC#N)CCCC2)c1 N#CC[*:1] Cc1cccc(c1)C1(CCCC1)C(=O)N[*:1]
Cc1cccc(C2(C(=O)NCC#N)CCCC2)c1 N#CCNC(=O)[*:1] Cc1cccc(c1)C1(CCCC1)[*:1]
C[C@@H](C(=O)Nc1ccc(-n2cnnn2)cc1)n1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)-n1cnnn1)n1nc(ccc1=O)[*:1]
C[C@@H](C(=O)Nc1ccc(-n2cnnn2)cc1)n1nc(-c2ccccc2)ccc1=O c1nnnn1[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])n1nc(ccc1=O)-c1ccccc1
CC(C)C1(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 CC(C)C1(CC1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(cc1)S(N)(=O)=O
CC(C)C1(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 NS(=O)(=O)[*:1] CC(C)C1(CC1)C[NH2+][C@H](C)c1ccc(cc1)[*:1]
CC(C)C1(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 CC(C)[*:1] C[C@@H]([NH2+]CC1(CC1)[*:1])c1ccc(cc1)S(N)(=O)=O
CC(=O)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])NC(c1ccccc1)c1ccccc1
CC(=O)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)OCC(=O)NC(c1ccccc1)[*:1]
CC(=O)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(CO[*:1])NC(c1ccccc1)c1ccccc1
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC#CCOc1cccc(Br)c1 Brc1cccc(c1)O[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC#CC[*:1]
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC#CCOc1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC#CCO[*:1]
CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)c1 CCc1cccc(c1)NC(=O)[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCC(CC1)[*:1]
CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)c1 CCc1cccc(c1)[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)c1 C1CC1[*:1] CCc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)[*:1]
CCc1ccc([C@@H](C)C(=O)N[C@H](CO)c2ccco2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)N[C@H](CO)[*:1]
Cc1ccc(F)c(S(=O)(=O)NNC(=O)[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(F)c(c1)S(=O)(=O)NNC(=O)[*:1]
Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1n[nH]cc1Br FC(F)(F)[*:1] Cc1nn(Cc2cccc(c2)[*:1])c(C)c1NC(=O)c1n[nH]cc1Br
Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1n[nH]cc1Br O=C(N[*:1])c1n[nH]cc1Br Cc1nn(Cc2cccc(c2)C(F)(F)F)c(C)c1[*:1]
COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC(=O)N(C1)c1ccc(Br)cc1
COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 Brc1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H](NC(=O)CON=C1CCC2(CC1)OCCO2)c1ccco1 C[C@@H](c1ccco1)[*:1] O=C(CON=C1CCC2(CC1)OCCO2)N[*:1]
C[C@@H](NC(=O)CON=C1CCC2(CC1)OCCO2)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)CON=C1CCC2(CC1)OCCO2)[*:1]
O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCc1nc2c(s1)CCCC2 Fc1cccc(Cl)c1C[*:1] O=C(C[C@@H]1C(=O)NCCN1[*:1])NCc1nc2CCCCc2s1
O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCc1nc2c(s1)CCCC2 C1CCc2sc(C[*:1])nc2C1 O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)N[*:1]
O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCc1nc2c(s1)CCCC2 Fc1cccc(Cl)c1[*:1] O=C(C[C@@H]1C(=O)NCCN1C[*:1])NCc1nc2CCCCc2s1
O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCc1nc2c(s1)CCCC2 C1CCc2sc(nc2C1)[*:1] O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NC[*:1]
COCC[C@@](C)([NH3+])[C@H]1CCOC2(CCCCC2)C1 COC[*:1] C[C@@]([NH3+])(C[*:1])[C@H]1CCOC2(CCCCC2)C1
COCC[C@@](C)([NH3+])[C@H]1CCOC2(CCCCC2)C1 COCC[*:1] C[C@@]([NH3+])([C@H]1CCOC2(CCCCC2)C1)[*:1]
NC(=O)c1cc(NC(=O)[C@H]2CC=CCC2)ccc1F NC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])[C@H]1CC=CCC1
CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(C(C)C)n1)c1ccc(F)cc1 CC(C)[*:1] CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(n1)[*:1])c1ccc(F)cc1
CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(C(C)C)n1)c1ccc(F)cc1 CCc1noc(C)c1[*:1] CC(C)c1nc(cc(=O)[nH]1)C[C@@H](NC(=O)[*:1])c1ccc(F)cc1
CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(C(C)C)n1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(n1)C(C)C)[*:1]
O=C([O-])[C@H]1CCCN1C(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O O=C([O-])[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N1CCC[C@@H]1[*:1]
COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1C(N)=O NC(=O)[*:1] COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1[*:1]
N#Cc1cc(NC(=O)NCc2ccc(-n3ccnc3)nc2)ccc1F c1cn(cn1)[*:1] N#Cc1cc(ccc1F)NC(=O)NCc1ccc(nc1)[*:1]
CCN1CCN(S(=O)(=O)N2CCC[C@@H]2c2cccc(OC)c2)CC1 COc1cccc(c1)[*:1] CCN1CCN(CC1)S(=O)(=O)N1CCC[C@H]1[*:1]
OCC[NH+]1CCCN(Cc2cccc(O)c2)CC1 OCC[*:1] Oc1cccc(c1)CN1CCC[NH+](CC1)[*:1]
O=C(NNc1ccccc1Cl)NC1CC[NH+](Cc2ccccn2)CC1 Clc1ccccc1[*:1] O=C(NN[*:1])NC1CC[NH+](CC1)Cc1ccccn1
O=C(NNc1ccccc1Cl)NC1CC[NH+](Cc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(NNc1ccccc1Cl)NC1CC[NH+](CC1)C[*:1]
O=C(NNc1ccccc1Cl)NC1CC[NH+](Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 O=C(NNc1ccccc1Cl)NC1CC[NH+](CC1)[*:1]
COCc1ccccc1NCC(=O)Nc1c(C)cccc1C COC[*:1] Cc1cccc(C)c1NC(=O)CNc1ccccc1[*:1]
O=C(N/N=C\c1ccc(I)o1)c1ccc(F)cc1 Ic1ccc(o1)[*:1] O=C(NN=C[*:1])c1ccc(F)cc1
Cc1noc2ncnc(N(CC3CC[NH2+]CC3)C3CC3)c12 C1CC1[*:1] Cc1noc2ncnc(c12)N(CC1CC[NH2+]CC1)[*:1]
CCc1nn(C)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 CNS(=O)(=O)[*:1] CCc1nn(C)cc1C(=O)Nc1ccc(C)c(c1)[*:1]
CC(C)CCNC(=O)Nc1ccc(-c2csnn2)cc1 CC(C)C[*:1] O=C(NC[*:1])Nc1ccc(cc1)-c1csnn1
CC(C)CCNC(=O)Nc1ccc(-c2csnn2)cc1 CC(C)[*:1] O=C(NCC[*:1])Nc1ccc(cc1)-c1csnn1
CC(C)CCNC(=O)Nc1ccc(-c2csnn2)cc1 CC(C)CC[*:1] O=C(Nc1ccc(cc1)-c1csnn1)N[*:1]
CC(C)CCNC(=O)Nc1ccc(-c2csnn2)cc1 c1snnc1[*:1] CC(C)CCNC(=O)Nc1ccc(cc1)[*:1]
Cc1ccn2/c(=N/C(=O)[C@H]3CCCCN3C(=O)c3cccnc3)[nH]nc2c1 c1cncc(c1)[*:1] Cc1ccn2/c(=N/C(=O)[C@H]3CCCCN3C(=O)[*:1])[nH]nc2c1
CSc1nc2n(n1)[C@H](c1ccc3c(c1)OCCCO3)C(C(=O)Nc1cccc(Cl)c1)=C(C)N2 Clc1cccc(c1)[*:1] CSc1nc2NC(C)=C(C(=O)N[*:1])[C@@H](c3ccc4OCCCOc4c3)n2n1
CSc1nc2n(n1)[C@H](c1ccc3c(c1)OCCCO3)C(C(=O)Nc1cccc(Cl)c1)=C(C)N2 c1cc2OCCCOc2cc1[*:1] CSc1nc2NC(C)=C(C(=O)Nc3cccc(Cl)c3)[C@@H](n2n1)[*:1]
CSc1nc2n(n1)[C@H](c1ccc3c(c1)OCCCO3)C(C(=O)Nc1cccc(Cl)c1)=C(C)N2 O=C(Nc1cccc(Cl)c1)[*:1] CSc1nc2NC(C)=C([C@@H](c3ccc4OCCCOc4c3)n2n1)[*:1]
O=C(NCc1csc(C2CC2)n1)[C@H](c1ccccc1)N1CCCCC1=O c1ccc(cc1)[*:1] O=C(NCc1csc(n1)C1CC1)[C@H](N1CCCCC1=O)[*:1]
O=C(NCc1csc(C2CC2)n1)[C@H](c1ccccc1)N1CCCCC1=O C1CC1[*:1] O=C(NCc1csc(n1)[*:1])[C@H](c1ccccc1)N1CCCCC1=O
O=C(NCc1csc(C2CC2)n1)[C@H](c1ccccc1)N1CCCCC1=O O=C1CCCCN1[*:1] O=C(NCc1csc(n1)C1CC1)[C@H](c1ccccc1)[*:1]
O=C(NCc1csc(C2CC2)n1)[C@H](c1ccccc1)N1CCCCC1=O c1sc(nc1[*:1])C1CC1 O=C(NC[*:1])[C@H](c1ccccc1)N1CCCCC1=O
CO[C@]1(C)C[C@@H](NC(=O)C(=O)Nc2cc(C(C)(C)C)on2)C1(C)C CC(C)(C)[*:1] CO[C@]1(C)C[C@@H](NC(=O)C(=O)Nc2cc(on2)[*:1])C1(C)C
Cc1ccccc1-n1nc2c(c1-n1cccc1)CN(C(=O)c1cccc3ccccc13)C2 Cc1ccccc1[*:1] O=C(c1cccc2ccccc12)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
Cc1ccccc1-n1nc2c(c1-n1cccc1)CN(C(=O)c1cccc3ccccc13)C2 c1ccn(c1)[*:1] Cc1ccccc1-n1nc2CN(Cc2c1[*:1])C(=O)c1cccc2ccccc12
Cc1ccccc1-n1nc2c(c1-n1cccc1)CN(C(=O)c1cccc3ccccc13)C2 c1ccc2c(cccc2c1)[*:1] Cc1ccccc1-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
COCc1ccccc1CNC(=O)Nc1ccc(F)c(F)c1F COC[*:1] O=C(NCc1ccccc1[*:1])Nc1ccc(F)c(F)c1F
NC(=O)[C@H]1CCN(c2ncc(C(=O)N3CCCCC3)cc2Cl)C1 NC(=O)[*:1] O=C(c1cnc(c(Cl)c1)N1CC[C@@H](C1)[*:1])N1CCCCC1
Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1 Cc1ccccc1[*:1] CN1C[C@@]2(CCN(C2)C(=O)c2ccccc2[*:1])OC1=O
Cc1csc([C@@H](C)NCc2cccc(OC3CCCC3)c2)n1 C1CCC(C1)[*:1] Cc1csc(n1)[C@@H](C)NCc1cccc(c1)O[*:1]
Cc1csc([C@@H](C)NCc2cccc(OC3CCCC3)c2)n1 C1CCC(C1)O[*:1] Cc1csc(n1)[C@@H](C)NCc1cccc(c1)[*:1]
Cc1csc([C@@H](C)NCc2cccc(OC3CCCC3)c2)n1 Cc1csc(n1)[*:1] C[C@@H](NCc1cccc(c1)OC1CCCC1)[*:1]
COC(=O)c1ccc(S(=O)(=O)NCc2nccn2C(F)F)o1 COC(=O)[*:1] O=S(=O)(NCc1nccn1C(F)F)c1ccc(o1)[*:1]
COC(=O)c1ccc(S(=O)(=O)NCc2nccn2C(F)F)o1 FC(F)[*:1] COC(=O)c1ccc(o1)S(=O)(=O)NCc1nccn1[*:1]
N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 N#CC[*:1] O=C1c2ccccc2N[C@@H](c2cn(C[*:1])c3ccccc23)N1CCc1ccccc1
N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] N#CCCn1cc(c2ccccc21)[C@@H]1Nc2ccccc2C(=O)N1CC[*:1]
N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 c1ccc(cc1)CC[*:1] N#CCCn1cc(c2ccccc21)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 N#CCC[*:1] O=C1c2ccccc2N[C@@H](c2cn(c3ccccc23)[*:1])N1CCc1ccccc1
N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 c1ccc(cc1)C[*:1] N#CCCn1cc(c2ccccc21)[C@@H]1Nc2ccccc2C(=O)N1C[*:1]
Cc1cc(C)c(NC(=O)C[S@](=O)Cc2ccc(F)cc2F)c(C)c1 Fc1ccc(c(F)c1)[*:1] Cc1cc(C)c(NC(=O)C[S@](=O)C[*:1])c(C)c1
CC[C@@H](Sc1nnc(C)n2c1cc1occc12)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@@H](Sc1nnc(C)n2c1cc1occc12)C(=O)N[*:1]
COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c(Cl)c1 C1CCC(CC1)[*:1] COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2[*:1])c(Cl)c1
C[C@H]1CCN(C(=O)/C=C/c2ccncc2)C[C@H]1O c1cc(ccn1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)C=C[*:1]
O=C1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CN1Cc1ccccn1 c1ccc(nc1)[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1
O=C1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CN1Cc1ccccn1 c1ccc(C[*:1])nc1 O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC[C@H]1C[NH+]1CCCCC1
O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)Nc1cc(F)ccc1F c1ccc(cc1)[*:1] O=C(CSc1nnc(C[NH+]2CCCC2)n1[*:1])Nc1cc(F)ccc1F
O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)N[*:1]
CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 c1csc(n1)[*:1] CC(=O)N[C@@H]([C@H]1CCCN(C1)C(=O)Cc1ccc2OCCOc2c1)[*:1]
CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 CC(=O)N[*:1] O=C(Cc1ccc2OCCOc2c1)N1CCC[C@@H](C1)[C@H](c1nccs1)[*:1]
CNC(=O)NCC(=O)N1CCC(=Cc2ccccc2)CC1 CNC(=O)N[*:1] O=C(C[*:1])N1CCC(=Cc2ccccc2)CC1
CNC(=O)NCC(=O)N1CCC(=Cc2ccccc2)CC1 CNC(=O)NC[*:1] O=C(N1CCC(=Cc2ccccc2)CC1)[*:1]
CNC(=O)NCC(=O)N1CCC(=Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)NCC(=O)N1CCC(=C[*:1])CC1
O=C1CN2CSC[C@H]2C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1CN2CSC[C@H]2C(=O)N1C[*:1]
CCN(C1CCN([C@H](C(=O)OC)c2ccc(F)cc2)CC1)S(C)(=O)=O Fc1ccc(cc1)[*:1] CCN(C1CCN(CC1)[C@H](C(=O)OC)[*:1])S(C)(=O)=O
CCN(C1CCN([C@H](C(=O)OC)c2ccc(F)cc2)CC1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] COC(=O)[C@H](c1ccc(F)cc1)N1CCC(CC1)[*:1]
CCN(C1CCN([C@H](C(=O)OC)c2ccc(F)cc2)CC1)S(C)(=O)=O COC(=O)[*:1] CCN(C1CCN(CC1)[C@H](c1ccc(F)cc1)[*:1])S(C)(=O)=O
CC(=O)Nc1ccc2nc(NC(=O)C3=NN=C(C)C3)sc2c1 CC(=O)N[*:1] CC1CC(=NN=1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
O=C(Nc1ccccc1O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 Oc1ccccc1[*:1] O=C(N[*:1])c1ccc(cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O
C[C@H](NCc1cccc(OC(F)F)c1)c1nc2cc(Cl)ccc2n1C FC(F)O[*:1] C[C@H](NCc1cccc(c1)[*:1])c1nc2cc(Cl)ccc2n1C
C[C@H](NCc1cccc(OC(F)F)c1)c1nc2cc(Cl)ccc2n1C FC(F)[*:1] C[C@H](NCc1cccc(c1)O[*:1])c1nc2cc(Cl)ccc2n1C
C[C@@](O)(CNC(=O)[C@H]1CCOc2ccccc21)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@](O)(CNC(=O)[C@H]1CCOc2ccccc21)[*:1]
C[C@@](O)(CNC(=O)[C@H]1CCOc2ccccc21)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@](O)(CNC(=O)[C@H]1CCOc2ccccc21)C[*:1]
CC(C)(C)c1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1 c1cncc(c1)[*:1] CC(C)(C)c1ccc(/C=N/NC(=O)CC(=O)NC[*:1])cc1
CC(C)(C)c1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1 c1cncc(c1)C[*:1] CC(C)(C)c1ccc(/C=N/NC(=O)CC(=O)N[*:1])cc1
CC(C)(C)c1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1 CC(C)(C)[*:1] O=C(CC(=O)N/N=C/c1ccc(cc1)[*:1])NCc1cccnc1
COc1ccc2oc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)c(C)c2c1 Fc1ccc(cc1)[*:1] COc1ccc2oc(C(=O)NC[C@@H](N3CCOCC3)[*:1])c(C)c2c1
COc1ccc2oc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)c(C)c2c1 C1CN(CCO1)[*:1] COc1ccc2oc(C(=O)NC[C@@H](c3ccc(F)cc3)[*:1])c(C)c2c1
C[C@@H](O)CCC(=O)Nc1ccc(CS(N)(=O)=O)cc1 C[C@@H](O)[*:1] NS(=O)(=O)Cc1ccc(cc1)NC(=O)CC[*:1]
C[C@@H](O)CCC(=O)Nc1ccc(CS(N)(=O)=O)cc1 C[C@@H](O)C[*:1] NS(=O)(=O)Cc1ccc(cc1)NC(=O)C[*:1]
C[C@@H](O)CCC(=O)Nc1ccc(CS(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](O)CCC(=O)Nc1ccc(cc1)C[*:1]
C[C@@H](O)CCC(=O)Nc1ccc(CS(N)(=O)=O)cc1 NS(=O)(=O)C[*:1] C[C@@H](O)CCC(=O)Nc1ccc(cc1)[*:1]
C[C@@H](O)CCC(=O)Nc1ccc(CS(N)(=O)=O)cc1 C[C@@H](O)CC[*:1] NS(=O)(=O)Cc1ccc(cc1)NC(=O)[*:1]
C[C@H]([NH2+]C1(CNC(=O)c2ccncc2Cl)CCCC1)c1ccccc1 Clc1cnccc1[*:1] C[C@H]([NH2+]C1(CCCC1)CNC(=O)[*:1])c1ccccc1
C[C@H]([NH2+]C1(CNC(=O)c2ccncc2Cl)CCCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]C1(CCCC1)CNC(=O)c1ccncc1Cl)[*:1]
COc1ccc(CCNC2=CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)CCNC1=CC(=O)N(C1=O)[*:1]
COc1ccc(CCNC2=CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C=C(NCC[*:1])C1=O
CN(CCOCC1CC1)C(=O)Nc1ccc(Cl)cc1F C1CC1[*:1] CN(CCOC[*:1])C(=O)Nc1ccc(Cl)cc1F
CN(CCOCC1CC1)C(=O)Nc1ccc(Cl)cc1F C1CC1COC[*:1] CN(C[*:1])C(=O)Nc1ccc(Cl)cc1F
CN(CCOCC1CC1)C(=O)Nc1ccc(Cl)cc1F C1CC1CO[*:1] CN(CC[*:1])C(=O)Nc1ccc(Cl)cc1F
CN(CCOCC1CC1)C(=O)Nc1ccc(Cl)cc1F C1CC1C[*:1] CN(CCO[*:1])C(=O)Nc1ccc(Cl)cc1F
O=C([O-])c1ccc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)nc1 O=C([O-])[*:1] O=c1c(cc(Br)cn1Cc1ccc(cn1)[*:1])[N+](=O)[O-]
O=C([O-])c1ccc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)nc1 O=[N+]([O-])[*:1] O=C([O-])c1ccc(Cn2cc(Br)cc(c2=O)[*:1])nc1
O=C(c1cc2c(s1)CCOC2)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C(c1cc2COCCc2s1)N1CCOC[C@H]1[*:1]
CC[C@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)c1nc2ccccc2[nH]1 CN(C)C(=O)[*:1] CC[C@H](NC(=O)c1ccc(cc1)[*:1])c1nc2ccccc2[nH]1
O=[N+]([O-])c1cc2c(c(CSc3ccccn3)c1)OCOC2 c1ccc(nc1)[*:1] O=[N+]([O-])c1cc2COCOc2c(c1)CS[*:1]
O=[N+]([O-])c1cc2c(c(CSc3ccccn3)c1)OCOC2 c1ccc(nc1)S[*:1] O=[N+]([O-])c1cc2COCOc2c(c1)C[*:1]
O=[N+]([O-])c1cc2c(c(CSc3ccccn3)c1)OCOC2 O=[N+]([O-])[*:1] c1ccc(nc1)SCc1cc(cc2COCOc21)[*:1]
CC(=O)c1cccc(-c2ccc(Cl)c(O)c2)c1 CC(=O)[*:1] Oc1cc(ccc1Cl)-c1cccc(c1)[*:1]
COc1ccc([C@H](NC(=O)C2C[C@@H](C)O[C@H](C)C2)c2nccn2C)cc1 Cn1ccnc1[*:1] COc1ccc(cc1)[C@H](NC(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
COc1ccc([C@H](NC(=O)C2C[C@@H](C)O[C@H](C)C2)c2nccn2C)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N[C@H](c1nccn1C)[*:1]
CSc1cccc(N2C[C@H](C(=O)N3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)CC2=O)c1 CSc1cccc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCCc2cc(ccc21)S(=O)(=O)N1CCCC1
CSc1cccc(N2C[C@H](C(=O)N3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)CC2=O)c1 O=S(=O)(N1CCCC1)[*:1] CSc1cccc(c1)N1C[C@@H](CC1=O)C(=O)N1CCCc2cc(ccc21)[*:1]
O=C(NCc1ccnc(OCC2CC2)c1)C1(c2ccccc2)CCOCC1 C1CC1CO[*:1] O=C(NCc1ccnc(c1)[*:1])C1(CCOCC1)c1ccccc1
O=C(NCc1ccnc(OCC2CC2)c1)C1(c2ccccc2)CCOCC1 C1CC1C[*:1] O=C(NCc1ccnc(c1)O[*:1])C1(CCOCC1)c1ccccc1
O=C(NCc1ccnc(OCC2CC2)c1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(NCc1ccnc(c1)OCC1CC1)C1(CCOCC1)[*:1]
O=C(NCc1ccnc(OCC2CC2)c1)C1(c2ccccc2)CCOCC1 C1CC1[*:1] O=C(NCc1ccnc(c1)OC[*:1])C1(CCOCC1)c1ccccc1
Cc1ccc(C(=O)NC2CCN(C(=O)[C@H](C)CC3CCCCC3)CC2)s1 C1CCC(CC1)[*:1] Cc1ccc(s1)C(=O)NC1CCN(CC1)C(=O)[C@H](C)C[*:1]
Cc1ccc(C(=O)NC2CCN(C(=O)[C@H](C)CC3CCCCC3)CC2)s1 Cc1ccc(s1)[*:1] C[C@H](CC1CCCCC1)C(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1ccc(C(=O)NC2CCN(C(=O)[C@H](C)CC3CCCCC3)CC2)s1 C1CCC(CC1)C[*:1] Cc1ccc(s1)C(=O)NC1CCN(CC1)C(=O)[C@H](C)[*:1]
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(CN1CCN(CC1)c1ccccc1)Nc1ccc(Cl)c(c1)[*:1]
CC(C)C(=O)NCCN(C)Cc1cnc(N2CCOCC2)nc1 CC(C)C(=O)N[*:1] CN(CC[*:1])Cc1cnc(nc1)N1CCOCC1
CC(C)C(=O)NCCN(C)Cc1cnc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] CC(C)C(=O)NCCN(C)Cc1cnc(nc1)[*:1]
CC(C)C(=O)NCCN(C)Cc1cnc(N2CCOCC2)nc1 CC(C)C(=O)NC[*:1] CN(Cc1cnc(nc1)N1CCOCC1)C[*:1]
CC(C)C(=O)NCCN(C)Cc1cnc(N2CCOCC2)nc1 CC(C)[*:1] CN(CCNC(=O)[*:1])Cc1cnc(nc1)N1CCOCC1
C[NH2+][C@@H](C)c1ccc(SCCC(C)(C)O)cc1 CC(C)(O)[*:1] C[NH2+][C@@H](C)c1ccc(cc1)SCC[*:1]
C[NH2+][C@@H](C)c1ccc(SCCC(C)(C)O)cc1 CC(C)(O)C[*:1] C[NH2+][C@@H](C)c1ccc(cc1)SC[*:1]
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3O)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(ccc1N(C)S(=O)(=O)[*:1])C(=O)N(C)[C@H]1CCCC[C@@H]1O
COC(=O)c1cc(CSc2cccc[n+]2[O-])c(C)s1 COC(=O)[*:1] Cc1sc(cc1CSc1cccc[n+]1[O-])[*:1]
CC1CCN(C(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)CC1 CN(S(C)(=O)=O)[*:1] CC1CCN(CC1)C(=O)c1cc(ccc1Cl)[*:1]
C[C@@H](SCc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O c1ccc(cc1)C[*:1] C[C@@H](S[*:1])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O
C[C@@H](SCc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O c1ccc(cc1)CS[*:1] C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(N)=O)[*:1]
C[C@@H](SCc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O c1ccc(cc1)[*:1] C[C@@H](SC[*:1])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O
C[C@@H](SCc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O NC(=O)[*:1] C[C@@H](SCc1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1[*:1]
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)N1CCc2ccccc21 O=C([O-])[*:1] C[C@@H]1[C@H](CCN1C(=O)N1CCc2ccccc21)[*:1]
CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCc3cccc(C)c32)cc1OC CCO[*:1] COc1cc(C(=O)N2CCCc3cccc(C)c32)c(cc1[*:1])[N+](=O)[O-]
CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCc3cccc(C)c32)cc1OC O=[N+]([O-])[*:1] CCOc1cc(c(cc1OC)C(=O)N1CCCc2cccc(C)c21)[*:1]
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCSc1cccc(Cl)c1 O=C([O-])[*:1] C[NH2+][C@@]1(CCC[C@@H]1CCSc1cccc(Cl)c1)[*:1]
COc1ccc(C(=O)Nc2cc(C(C)C)c(O)c(S(=O)(=O)c3ccc(OC)cc3)c2C)cc1 COc1ccc(cc1)C(=O)N[*:1] COc1ccc(cc1)S(=O)(=O)c1c(C)c(cc(c1O)C(C)C)[*:1]
COc1ccc(C(=O)Nc2cc(C(C)C)c(O)c(S(=O)(=O)c3ccc(OC)cc3)c2C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)Nc1cc(c(O)c(c1C)S(=O)(=O)c1ccc(cc1)OC)[*:1]
COc1ccc(C(=O)Nc2cc(C(C)C)c(O)c(S(=O)(=O)c3ccc(OC)cc3)c2C)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1cc(c(O)c(c1C)S(=O)(=O)[*:1])C(C)C
COc1ccc(C(=O)Nc2cc(C(C)C)c(O)c(S(=O)(=O)c3ccc(OC)cc3)c2C)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)c1c(C)c(cc(c1O)C(C)C)NC(=O)[*:1]
COc1ccc(C(=O)Nc2cc(C(C)C)c(O)c(S(=O)(=O)c3ccc(OC)cc3)c2C)cc1 COc1ccc(cc1)S(=O)(=O)[*:1] COc1ccc(cc1)C(=O)Nc1cc(c(O)c(c1C)[*:1])C(C)C
O=C(CCCc1cc(F)ccc1F)NCc1ccsc1 c1cc(cs1)C[*:1] O=C(CCCc1cc(F)ccc1F)N[*:1]
O=C(CCCc1cc(F)ccc1F)NCc1ccsc1 c1cc(cs1)[*:1] O=C(CCCc1cc(F)ccc1F)NC[*:1]
CSc1ccc(NCc2nc(-c3cccs3)n[nH]2)nn1 c1csc(c1)[*:1] CSc1ccc(nn1)NCc1nc(n[nH]1)[*:1]
O=C([C@H]1CCc2ccccc2O1)N1CCC2=C(C1)[C@H](c1ccc(F)cc1)[NH+]=N2 Fc1ccc(cc1)[*:1] O=C([C@H]1CCc2ccccc2O1)N1CCC2N=[NH+][C@@H](C=2C1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCN(c3ccccn3)CC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@H](C)[NH+]2CCN(CC2)c2ccccn2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCN(c3ccccn3)CC2)c1C c1ccc(nc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCN(CC2)[*:1])c1C
Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SC[*:1]
Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)N1CCOCC1 Clc1ccc(cc1)[*:1] Cn1c(CC(=O)N[*:1])nnc1SCC(=O)N1CCOCC1
Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1S[*:1]
C[NH2+]C[C@H](C)C(=O)Nc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] C[NH2+]C[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
C[NH2+]C[C@H](C)C(=O)Nc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] C[NH2+]C[C@H](C)C(=O)Nc1ccc(cc1)C[*:1]
CSCc1cc(F)ccc1CNC(=O)C1CCN(C(=O)C2CC2)CC1 CSC[*:1] O=C(NCc1ccc(F)cc1[*:1])C1CCN(CC1)C(=O)C1CC1
CSCc1cc(F)ccc1CNC(=O)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] CSCc1cc(F)ccc1CNC(=O)C1CCN(CC1)C(=O)[*:1]
CC1(C)[C@@H]([NH2+]CCC(=O)NCc2ccncc2)[C@@]2(C)CC[C@@H]1C2 c1cc(ccn1)[*:1] CC1(C)[C@@H]([NH2+]CCC(=O)NC[*:1])[C@@]2(C)CC[C@@H]1C2
CC1(C)[C@@H]([NH2+]CCC(=O)NCc2ccncc2)[C@@]2(C)CC[C@@H]1C2 c1cc(ccn1)C[*:1] CC1(C)[C@@H]([NH2+]CCC(=O)N[*:1])[C@@]2(C)CC[C@@H]1C2
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCC(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)c1ccccc1OC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCC(C)C CC(C)C[*:1] Cc1ccc(cc1NC(=O)c1ccccc1O[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCC(C)C CC(C)CO[*:1] Cc1ccc(cc1NC(=O)c1ccccc1[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCC(C)C O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)c1ccccc1OCC(C)C)[*:1]
Cc1ccc([C@H](C)NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)o1 NS(=O)(=O)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)c1cc(C)c(C)c(c1)[*:1]
Cc1ccc([C@H](C)NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)o1 Cc1ccc(o1)[*:1] Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)N[C@@H](C)[*:1]
COc1ccc(Cl)cc1/[NH+]=c1\oc2ccccc2cc1C(=O)NCc1ccco1 c1coc(c1)[*:1] COc1ccc(Cl)cc1/[NH+]=c1\oc2ccccc2cc1C(=O)NC[*:1]
COc1ccc(Cl)cc1/[NH+]=c1\oc2ccccc2cc1C(=O)NCc1ccco1 O=C(NCc1ccco1)[*:1] COc1ccc(Cl)cc1/[NH+]=c1\oc2ccccc2cc1[*:1]
COc1ccc(Cl)cc1/[NH+]=c1\oc2ccccc2cc1C(=O)NCc1ccco1 COc1ccc(Cl)cc1[*:1] O=C(NCc1ccco1)c1cc2ccccc2oc1=[NH+][*:1]
COc1ccc(Cl)cc1/[NH+]=c1\oc2ccccc2cc1C(=O)NCc1ccco1 c1coc(c1)C[*:1] COc1ccc(Cl)cc1/[NH+]=c1\oc2ccccc2cc1C(=O)N[*:1]
C[C@H](NC(=O)[C@H]1CCCN(c2cnc3nccnc3c2)C1)c1cccnc1 C[C@H](c1cccnc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1cnc2nccnc2c1
C[C@H](NC(=O)[C@H]1CCCN(c2cnc3nccnc3c2)C1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](NC(=O)[C@H]1CCCN(C1)c1cnc2nccnc2c1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc([N+](=O)[O-])cc3C#N)cc2)cc1 Cc1ccc(cc1)[*:1] N#Cc1cc(ccc1Oc1ccc(cc1)NS(=O)(=O)[*:1])[N+](=O)[O-]
Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc([N+](=O)[O-])cc3C#N)cc2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)Oc1ccc(cc1C#N)[*:1]
Cc1cc(N)ccc1SCC(=O)N(C)CCC#N N#CCC[*:1] Cc1cc(N)ccc1SCC(=O)N(C)[*:1]
Cc1cc(N)ccc1SCC(=O)N(C)CCC#N N#CC[*:1] Cc1cc(N)ccc1SCC(=O)N(C)C[*:1]
CN(C)C(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 c1ccc(cc1)[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)NC[C@H]([NH+](C)C)[*:1]
COc1ccc([C@@H]2C(N)=NC(=O)N2CC(C)C)c(OC)c1 CC(C)C[*:1] COc1ccc(c(c1)OC)[C@@H]1C(N)=NC(=O)N1[*:1]
COc1ccc([C@@H]2C(N)=NC(=O)N2CC(C)C)c(OC)c1 CC(C)[*:1] COc1ccc(c(c1)OC)[C@@H]1C(N)=NC(=O)N1C[*:1]
Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc3ccccc13)C(C(N)=O)=C(N)O2 NC(=O)[*:1] Cc1nn(-c2ccccc2)c2OC(N)=C([C@H](c12)c1cccc2ccccc12)[*:1]
Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc3ccccc13)C(C(N)=O)=C(N)O2 c1ccc2c(cccc2c1)[*:1] Cc1nn(-c2ccccc2)c2OC(N)=C(C(N)=O)[C@@H](c12)[*:1]
Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc3ccccc13)C(C(N)=O)=C(N)O2 c1ccc(cc1)[*:1] Cc1nn(c2OC(N)=C(C(N)=O)[C@H](c12)c1cccc2ccccc12)[*:1]
CN(C)C(=O)[C@@H](c1ccccc1)n1nnc(-c2ccc(F)cc2)n1 CN(C)C(=O)[*:1] Fc1ccc(cc1)-c1nnn(n1)[C@H](c1ccccc1)[*:1]
CN(C)C(=O)[C@@H](c1ccccc1)n1nnc(-c2ccc(F)cc2)n1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](n1nnc(n1)-c1ccc(F)cc1)[*:1]
CN(C)C(=O)[C@@H](c1ccccc1)n1nnc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](c1ccccc1)n1nnc(n1)[*:1]
CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(Br)c1 CCS[*:1] O=C1CCCC2Nc3[nH]c(nc(=O)c3[C@@H](C=21)c1cccc(Br)c1)[*:1]
CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(Br)c1 Brc1cccc(c1)[*:1] CCSc1nc(=O)c2c(NC3CCCC(=O)C=3[C@@H]2[*:1])[nH]1
O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)COc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)CO[*:1]
C[C@H]1CN(C(=O)c2ccc(Cl)o2)c2cc(F)ccc2C(=O)N1 Clc1ccc(o1)[*:1] C[C@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
[NH3+][C@@H](Cc1nc(-c2ccccc2)cs1)[C@H]1CCCO1 c1ccc(cc1)[*:1] [NH3+][C@@H](Cc1nc(cs1)[*:1])[C@H]1CCCO1
CCN(C(=O)[C@H](C)Oc1ccc(C=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@H](C)Oc1ccc(C=O)cc1)[*:1]
CCc1cc(CNC(=O)NC[C@@](C)(O)CN2CCOCC2)on1 CCc1cc(on1)[*:1] C[C@@](O)(CNC(=O)NC[*:1])CN1CCOCC1
CCc1cc(CNC(=O)NC[C@@](C)(O)CN2CCOCC2)on1 C1CN(CCO1)C[*:1] CCc1cc(CNC(=O)NC[C@@](C)(O)[*:1])on1
CCc1cc(CNC(=O)NC[C@@](C)(O)CN2CCOCC2)on1 C1CN(CCO1)[*:1] CCc1cc(CNC(=O)NC[C@@](C)(O)C[*:1])on1
CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2sc(C(C)C)nc2C)C1 CC(C)[*:1] CC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)c1sc(nc1C)[*:1]
CCN(C[C@H]1CSc2ccccc21)CC(C)(C)C[NH3+] CC(C)(C[NH3+])C[*:1] CCN(C[C@H]1CSc2ccccc21)[*:1]
COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccccc2N)cc1OC COc1ccc(cc1OC)[*:1] COc1cc2CC(=O)N(NC(=O)c3ccccc3N)[C@H](c2cc1OC)[*:1]
COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccccc2N)cc1OC Nc1ccccc1[*:1] COc1ccc(cc1OC)[C@H]1c2cc(OC)c(cc2CC(=O)N1NC(=O)[*:1])OC
Cc1cc(S(=O)(=O)N[C@H](CO)C(C)C)sc1C(=O)[O-] CC(C)[*:1] Cc1cc(sc1C(=O)[O-])S(=O)(=O)N[C@H](CO)[*:1]
Cc1cc(S(=O)(=O)N[C@H](CO)C(C)C)sc1C(=O)[O-] CC(C)[C@@H](CO)[*:1] Cc1cc(sc1C(=O)[O-])S(=O)(=O)N[*:1]
Cc1cc(S(=O)(=O)N[C@H](CO)C(C)C)sc1C(=O)[O-] O=C([O-])[*:1] Cc1cc(sc1[*:1])S(=O)(=O)N[C@H](CO)C(C)C
Cc1cc(C)c2nc(NC(=O)c3cccc(S(=O)(=O)NCc4ccc5c(c4)OCO5)c3)sc2c1 Cc1cc(C)c2nc(sc2c1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)NCc1ccc2OCOc2c1
Cc1cc(C)c2nc(NC(=O)c3cccc(S(=O)(=O)NCc4ccc5c(c4)OCO5)c3)sc2c1 c1cc2OCOc2cc1C[*:1] Cc1cc(C)c2nc(NC(=O)c3cccc(c3)S(=O)(=O)N[*:1])sc2c1
Cc1cc(C)c2nc(NC(=O)c3cccc(S(=O)(=O)NCc4ccc5c(c4)OCO5)c3)sc2c1 c1cc2OCOc2cc1[*:1] Cc1cc(C)c2nc(NC(=O)c3cccc(c3)S(=O)(=O)NC[*:1])sc2c1
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1 CCc1nc(no1)[*:1] CC(=O)N(C[*:1])[C@@H]1CCN(C1)C(=O)[C@H]1CCCN(C1)C(=O)C(C)(C)C
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1 CC(C)(C)[*:1] CCc1nc(CN(C(C)=O)[C@@H]2CCN(C2)C(=O)[C@H]2CCCN(C2)C(=O)[*:1])no1
CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1 CCc1nc(C[*:1])no1 CC(=O)N([C@@H]1CCN(C1)C(=O)[C@H]1CCCN(C1)C(=O)C(C)(C)C)[*:1]
Nc1nnnn1CC(=O)NC(c1ccccc1)c1ccccc1 Nc1nnnn1[*:1] O=C(C[*:1])NC(c1ccccc1)c1ccccc1
Nc1nnnn1CC(=O)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Nc1nnnn1CC(=O)NC(c1ccccc1)[*:1]
Nc1nnnn1CC(=O)NC(c1ccccc1)c1ccccc1 Nc1nnnn1C[*:1] O=C(NC(c1ccccc1)c1ccccc1)[*:1]
C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 Brc1ccc(cc1)[*:1] C[C@@H](N[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Br)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1c(cnn1-c1ccccc1)C(=O)N[*:1])c1ccccc1Br
Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Br)cc1 Brc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)c1cnn(-c2ccccc2)c1NC(=O)[*:1]
Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Br)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1cnn(c1NC(=O)c1ccccc1Br)[*:1]
Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Br)cc1 O=C(N[*:1])c1ccccc1Br Cc1ccc(cc1)NC(=O)c1cnn(-c2ccccc2)c1[*:1]
Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Br)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C(Nc1c(cnn1-c1ccccc1)[*:1])c1ccccc1Br
CN(CCS(C)(=O)=O)C(=O)Nc1ccncc1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)Nc1ccncc1
CN(CCS(C)(=O)=O)C(=O)Nc1ccncc1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)Nc1ccncc1
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N1CCC[NH+](C(C)C)CC1 CC(C)[*:1] Cc1cn(nc1NC(=O)N1CCC[NH+](CC1)[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N1CCC[NH+](C(C)C)CC1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)N1CCC[NH+](CC1)C(C)C)[*:1]
O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCc1ccc(Br)s1 Brc1ccc(s1)[*:1] O=C(Cc1cc(Cl)c2OCCOc2c1)NCC[*:1]
O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCc1ccc(Br)s1 Brc1ccc(C[*:1])s1 O=C(Cc1cc(Cl)c2OCCOc2c1)NC[*:1]
Nc1cc(OCCc2ccccn2)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Nc1cc(ccc1[*:1])OCCc1ccccn1
Nc1cc(OCCc2ccccn2)ccc1S(N)(=O)=O c1ccc(nc1)[*:1] Nc1cc(ccc1S(N)(=O)=O)OCC[*:1]
Cc1noc(COCC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)n1 Cc1noc(n1)[*:1] C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)COC[*:1]
Cc1noc(COCC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)n1 Cc1noc(C[*:1])n1 C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)CO[*:1]
Cc1noc(COCC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1noc(COCC(=O)N(C)[C@@H](C)[C@H](C)[*:1])n1
Cc1noc(COCC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)n1 Cc1noc(CO[*:1])n1 C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)C[*:1]
C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1Cl O=[N+]([O-])[*:1] C[C@@H](Nc1ccc(cc1[*:1])S(C)(=O)=O)c1ccccc1Cl
C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](Nc1ccc(cc1[N+](=O)[O-])S(C)(=O)=O)[*:1]
C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1Cl CS(=O)(=O)[*:1] C[C@@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])c1ccccc1Cl
CNC(=O)[C@H](C)NC(=O)c1sc2cccc(F)c2c1N CNC(=O)[*:1] C[C@H](NC(=O)c1sc2cccc(F)c2c1N)[*:1]
CNC(=O)[C@H](C)NC(=O)c1sc2cccc(F)c2c1N CNC(=O)[C@H](C)[*:1] Nc1c(sc2cccc(F)c12)C(=O)N[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)CNc1ccc(-c2nnnn2C2CC2)cc1 C1CC1n1nnnc1[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CNc1ccc(cc1)[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)CNc1ccc(-c2nnnn2C2CC2)cc1 C1CC1[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CNc1ccc(cc1)-c1nnnn1[*:1]
CC(C)CC1(CNc2cc[nH+]c(C(=O)[O-])c2)CCCC1 CC(C)C[*:1] O=C([O-])c1cc(cc[nH+]1)NCC1(CCCC1)[*:1]
CC(C)CC1(CNc2cc[nH+]c(C(=O)[O-])c2)CCCC1 CC(C)[*:1] O=C([O-])c1cc(cc[nH+]1)NCC1(CCCC1)C[*:1]
CC(C)CC1(CNc2cc[nH+]c(C(=O)[O-])c2)CCCC1 O=C([O-])[*:1] CC(C)CC1(CCCC1)CNc1cc[nH+]c(c1)[*:1]
COc1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 C1CO[C@H](C1)[*:1] COc1cccc(c1)C(=O)N(C[*:1])[C@H]1CCSC1
COc1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 C1C[C@@H](CS1)[*:1] COc1cccc(c1)C(=O)N(C[C@H]1CCCO1)[*:1]
COc1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 C1CO[C@H](C1)C[*:1] COc1cccc(c1)C(=O)N([C@H]1CCSC1)[*:1]
CCc1noc([C@H](C)[S@](=O)Cc2cn3cccc(C)c3n2)n1 CCc1noc(n1)[*:1] Cc1cccn2cc(C[S@@](=O)[C@@H](C)[*:1])nc12
O=C(NCc1ccc(OCc2ccccc2)cc1)c1cc(Cl)ccn1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)OC[*:1])c1cc(Cl)ccn1
O=C(NCc1ccc(OCc2ccccc2)cc1)c1cc(Cl)ccn1 c1ccc(cc1)CO[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc(Cl)ccn1
O=C(NCc1ccc(OCc2ccccc2)cc1)c1cc(Cl)ccn1 c1ccc(cc1)C[*:1] O=C(NCc1ccc(cc1)O[*:1])c1cc(Cl)ccn1
O=C(NCc1ccc(OCc2ccccc2)cc1)c1cc(Cl)ccn1 Clc1ccnc(c1)[*:1] O=C(NCc1ccc(cc1)OCc1ccccc1)[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1CC(=O)N(CC2CC2)C1 FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])[C@@H]1CC(=O)N(CC2CC2)C1
O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] O=C(Nc1nnc(s1)C(F)(F)F)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] O=C(Nc1nnc(s1)C(F)(F)F)[C@@H]1CC(=O)N(C1)C[*:1]
C[C@H]1CN(c2ncccc2/C(N)=N/O)C[C@@H]1C N/C(=N\O)[*:1] C[C@H]1CN(C[C@@H]1C)c1ncccc1[*:1]
CSC[C@H](C)/C([O-])=N/S(=O)(=O)N1c2ccccc2CC[C@@H]1C CSC[*:1] C[C@H]1CCc2ccccc2N1S(=O)(=O)/N=C(\[O-])[C@@H](C)[*:1]
CC(=O)N1CCN(c2ccccc2CN2CC[C@H](C[NH+]3CCCCC3)C2)CC1 CC(=O)N1CCN(CC1)[*:1] c1ccc(c(c1)CN1CC[C@@H](C1)C[NH+]1CCCCC1)[*:1]
C[C@H](Oc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] O=[N+]([O-])[*:1] C[C@H](Oc1ccc(cc1F)[*:1])C(=O)[O-]
C[C@H](Oc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] O=C([O-])[*:1] C[C@H](Oc1ccc(cc1F)[N+](=O)[O-])[*:1]
O=C(CSc1nc2ccccc2o1)NCc1ccc(N2CCCC2=O)cc1 c1ccc2oc(nc2c1)[*:1] O=C(CS[*:1])NCc1ccc(cc1)N1CCCC1=O
O=C(CSc1nc2ccccc2o1)NCc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(CSc1nc2ccccc2o1)NCc1ccc(cc1)[*:1]
C[C@@H]1COC[C@@H](C)N1C(=O)CNC(=O)c1cccs1 c1csc(c1)[*:1] C[C@@H]1COC[C@@H](C)N1C(=O)CNC(=O)[*:1]
C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2)CC1)C(C)(C)C[NH+](C)C c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCN(CC1)C(=O)[*:1])C(C)(C)C[NH+](C)C
CCc1nc2c(s1)[C@@H]([NH2+]CCNC(=O)c1ccc(OC)cc1)CCC2 COc1ccc(cc1)[*:1] CCc1nc2CCC[C@H]([NH2+]CCNC(=O)[*:1])c2s1
CC(=O)Nc1ccc(S(=O)(=O)[O-])c(OC(C)=O)c1 CC(=O)O[*:1] CC(=O)Nc1ccc(c(c1)[*:1])S(=O)(=O)[O-]
CC(=O)Nc1ccc(S(=O)(=O)[O-])c(OC(C)=O)c1 O=S(=O)([O-])[*:1] CC(=O)Nc1ccc(c(c1)OC(C)=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)[O-])c(OC(C)=O)c1 CC(=O)N[*:1] CC(=O)Oc1cc(ccc1S(=O)(=O)[O-])[*:1]
COCCCNC(=O)C1CC[NH+](Cn2c(=O)oc3ccccc32)CC1 COCCCNC(=O)[*:1] O=c1oc2ccccc2n1C[NH+]1CCC(CC1)[*:1]
COCCCNC(=O)C1CC[NH+](Cn2c(=O)oc3ccccc32)CC1 COC[*:1] O=C(NCC[*:1])C1CC[NH+](CC1)Cn1c(=O)oc2ccccc21
COCCCNC(=O)C1CC[NH+](Cn2c(=O)oc3ccccc32)CC1 COCCC[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cn1c(=O)oc2ccccc21
COCCCNC(=O)C1CC[NH+](Cn2c(=O)oc3ccccc32)CC1 COCC[*:1] O=C(NC[*:1])C1CC[NH+](CC1)Cn1c(=O)oc2ccccc21
CCS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(OC)cc3s2)cc1 CCS(=O)(=O)[*:1] COc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)c1ccc(cc1)[*:1]
COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(C)c4)C3)n2)cc1OC Cc1cccc(c1)[*:1] COc1ccc(cc1OC)-c1noc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(C)c4)C3)n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cccc(c1)C(=O)N1CCC[C@@H](C1)c1nc(no1)[*:1]
CC(C)N(C(=O)c1ccc(OC(F)F)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)c1ccc(cc1)OC(F)F)[*:1]
CC(C)N(C(=O)c1ccc(OC(F)F)cc1)c1ccccc1 FC(F)[*:1] CC(C)N(C(=O)c1ccc(cc1)O[*:1])c1ccccc1
CC(C)N(C(=O)c1ccc(OC(F)F)cc1)c1ccccc1 CC(C)[*:1] O=C(c1ccc(cc1)OC(F)F)N(c1ccccc1)[*:1]
CC(C)N(C(=O)c1ccc(OC(F)F)cc1)c1ccccc1 FC(F)O[*:1] CC(C)N(C(=O)c1ccc(cc1)[*:1])c1ccccc1
C[NH2+][C@H](CC[C@@H]1CSc2ccccc21)C(C)C CC(C)[*:1] C[NH2+][C@H](CC[C@@H]1CSc2ccccc21)[*:1]
Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1[*:1]
Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1C[*:1]
CCc1cc2c(cc3c(=O)n(CC(=O)N4CCCCC4)ncn32)s1 O=C(N1CCCCC1)[*:1] CCc1cc2c(cc3c(=O)n(C[*:1])ncn32)s1
CS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)[C@@H](O)[*:1]
CS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 CS(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)[C@@H](O)c1ccccc1
CS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 O[C@@H](c1ccccc1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)[*:1]
Cc1noc([C@H](C)OC(=O)Cc2c(F)cccc2F)n1 Cc1noc(n1)[*:1] C[C@H](OC(=O)Cc1c(F)cccc1F)[*:1]
O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N(CCC(F)(F)F)CC1CC1 Fc1ccc(F)c(c1)[*:1] O=C([C@H]1C[C@@H]1[*:1])N(CCC(F)(F)F)CC1CC1
O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N(CCC(F)(F)F)CC1CC1 FC(F)(F)[*:1] O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N(CC[*:1])CC1CC1
O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N(CCC(F)(F)F)CC1CC1 FC(F)(F)CC[*:1] O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N(CC1CC1)[*:1]
O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N(CCC(F)(F)F)CC1CC1 FC(F)(F)C[*:1] O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N(CC1CC1)C[*:1]
O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N(CCC(F)(F)F)CC1CC1 C1CC1[*:1] O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N(CCC(F)(F)F)C[*:1]
O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N(CCC(F)(F)F)CC1CC1 C1CC1C[*:1] O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N(CCC(F)(F)F)[*:1]
COc1cc(C(C)=O)ccc1OC[C@H]1CCCCO1 CC(=O)[*:1] COc1cc(ccc1OC[C@H]1CCCCO1)[*:1]
COc1cc(C(C)=O)ccc1OC[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] COc1cc(ccc1OC[*:1])C(C)=O
C[C@@H]1OCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(cc1)[*:1]
CCOC(=O)c1ccccc1N[C@H](C)C1(C)CC1 CC1(CC1)[*:1] CCOC(=O)c1ccccc1N[C@H](C)[*:1]
CCOC(=O)c1ccccc1N[C@H](C)C1(C)CC1 CCOC(=O)[*:1] C[C@@H](Nc1ccccc1[*:1])C1(C)CC1
Cc1ccc(C)c(N2CCN(C(=O)C[C@H]3N=C4c5ccccc5NC(=S)N4C3=O)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(C[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(CC1)[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 Cc1ccccc1[*:1] O=C(c1ccccc1N1CCOCC1)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)c1ccccc1[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 Cc1ccccc1C[*:1] O=C(c1ccccc1N1CCOCC1)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 Cc1ccccc1CO[*:1] O=C(c1ccccc1N1CCOCC1)N1CCC(CC1)[*:1]
C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc2c1=O)[*:1]
Cc1ccc(Cc2cnc(NC(=O)Cc3c(C)noc3C)s2)cc1C Cc1ccc(cc1C)[*:1] Cc1noc(C)c1CC(=O)Nc1ncc(C[*:1])s1
Cc1ccc(Cc2cnc(NC(=O)Cc3c(C)noc3C)s2)cc1C Cc1noc(C)c1[*:1] Cc1ccc(cc1C)Cc1cnc(NC(=O)C[*:1])s1
Cc1ccc(Cc2cnc(NC(=O)Cc3c(C)noc3C)s2)cc1C Cc1noc(C)c1C[*:1] Cc1ccc(cc1C)Cc1cnc(NC(=O)[*:1])s1
CCOC[C@H]1CCN(C(=O)[C@@H](C)Sc2nncn2C)C1 CCOC[*:1] C[C@@H](Sc1nncn1C)C(=O)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)[C@@H](C)Sc2nncn2C)C1 Cn1cnnc1[*:1] CCOC[C@H]1CCN(C1)C(=O)[C@@H](C)S[*:1]
CCOC[C@H]1CCN(C(=O)[C@@H](C)Sc2nncn2C)C1 CCO[*:1] C[C@@H](Sc1nncn1C)C(=O)N1CC[C@@H](C1)C[*:1]
CC[NH2+][C@H](Cc1ccc(OC)nc1)[C@@H](C)CC CC[C@H](C)[*:1] CC[NH2+][C@H](Cc1ccc(nc1)OC)[*:1]
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H](C)CCC1CCCC1 C1CCC(C1)[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H](C)CC[*:1]
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H](C)CCC1CCCC1 C1CCC(C1)C[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H](C)C[*:1]
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H](C)CCC1CCCC1 C1CCC(C1)CC[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H](C)[*:1]
N#C[C@@H](c1ccccc1)[C@H](CC(=O)[O-])c1ccccc1 O=C([O-])[*:1] N#C[C@@H](c1ccccc1)[C@H](C[*:1])c1ccccc1
N#C[C@@H](c1ccccc1)[C@H](CC(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]([C@H](CC(=O)[O-])c1ccccc1)[*:1]
N#C[C@@H](c1ccccc1)[C@H](CC(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H](c1ccccc1)[C@H](CC(=O)[O-])[*:1]
N#C[C@@H](c1ccccc1)[C@H](CC(=O)[O-])c1ccccc1 O=C([O-])C[*:1] N#C[C@@H](c1ccccc1)[C@H](c1ccccc1)[*:1]
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](C)[C@H]2CCCC[C@@H]21 Cn1cc(cn1)[*:1] C[C@@H](NS(=O)(=O)[*:1])C(=O)N1CC[C@@H](C)[C@H]2CCCC[C@@H]21
COc1cc(OC)cc([C@H]([NH3+])[C@@H](C)c2ccncc2)c1 c1cc(ccn1)[*:1] COc1cc(cc(c1)[C@H]([NH3+])[C@@H](C)[*:1])OC
CC(=O)c1cc(F)ccc1OC[C@@H]1CO1 C1O[C@@H]1[*:1] CC(=O)c1cc(F)ccc1OC[*:1]
CC(=O)c1cc(F)ccc1OC[C@@H]1CO1 C1O[C@@H]1CO[*:1] CC(=O)c1cc(F)ccc1[*:1]
CC(=O)c1cc(F)ccc1OC[C@@H]1CO1 CC(=O)[*:1] Fc1ccc(OC[C@@H]2CO2)c(c1)[*:1]
CC(=O)c1cc(F)ccc1OC[C@@H]1CO1 C1O[C@@H]1C[*:1] CC(=O)c1cc(F)ccc1O[*:1]
CCO[C@H](C)C(=O)Nc1ccccc1OCC1CC1 CCO[C@H](C)[*:1] O=C(Nc1ccccc1OCC1CC1)[*:1]
CCO[C@H](C)C(=O)Nc1ccccc1OCC1CC1 C1CC1[*:1] CCO[C@H](C)C(=O)Nc1ccccc1OC[*:1]
CCO[C@H](C)C(=O)Nc1ccccc1OCC1CC1 C1CC1C[*:1] CCO[C@H](C)C(=O)Nc1ccccc1O[*:1]
CCO[C@H](C)C(=O)Nc1ccccc1OCC1CC1 C1CC1CO[*:1] CCO[C@H](C)C(=O)Nc1ccccc1[*:1]
CCO[C@H](C)C(=O)Nc1ccccc1OCC1CC1 CCO[*:1] C[C@H](C(=O)Nc1ccccc1OCC1CC1)[*:1]
C[C@H]1CC[C@H](C)N(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)C1 C1Cc2nnc(n2C1)[*:1] C[C@H]1CC[C@H](C)N(C1)C(=O)Nc1cccc(c1)[*:1]
CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccccc3F)n2)cc1 CC(C)[*:1] O=C(CCc1nc(no1)-c1ccc(cc1)[*:1])NCc1ccccc1F
CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccccc3F)n2)cc1 Fc1ccccc1[*:1] CC(C)c1ccc(cc1)-c1noc(CCC(=O)NC[*:1])n1
CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccccc3F)n2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])NCc1ccccc1F
CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccccc3F)n2)cc1 Fc1ccccc1C[*:1] CC(C)c1ccc(cc1)-c1noc(CCC(=O)N[*:1])n1
CC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] CC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[*:1]
CC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 CC(=O)[*:1] Cc1cc(C)cc(c1)-n1c(nc2ccccc2c1=O)S[C@@H](C)[*:1]
COc1cccc(C(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)C(=O)O/N=C(\N)Cc1ccc(cc1)[*:1]
COc1cccc(C(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)c1 COc1cccc(c1)[*:1] N/C(Cc1ccc(cc1)[N+](=O)[O-])=N\OC(=O)[*:1]
O=C(CSc1ccccc1)Nc1c(Br)cc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CSc1ccccc1)Nc1c(Br)cc(Br)cc1[*:1]
O=C(CSc1ccccc1)Nc1c(Br)cc(Br)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(CS[*:1])Nc1c(Br)cc(Br)cc1[N+](=O)[O-]
O=C(CSc1ccccc1)Nc1c(Br)cc(Br)cc1[N+](=O)[O-] c1ccc(cc1)S[*:1] O=C(C[*:1])Nc1c(Br)cc(Br)cc1[N+](=O)[O-]
CSC(C)(C)CNC(=O)c1ccc(NC(C)=O)cc1 CSC(C)(C)[*:1] CC(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CSC(C)(C)CNC(=O)c1ccc(NC(C)=O)cc1 CSC(C)(C)C[*:1] CC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CSC(C)(C)CNC(=O)c1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CSC(C)(C)CNC(=O)c1ccc(cc1)[*:1]
CCn1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cn1 Fc1ccc(cc1)[*:1] CCn1cc(cn1)C(=O)NC[C@H]([NH+](C)C)[*:1]
CCn1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cn1 CCn1cc(cn1)[*:1] C[NH+](C)[C@H](CNC(=O)[*:1])c1ccc(F)cc1
CC(C)[NH2+]Cc1cncc(OC[C@H]2CCCCO2)n1 CC(C)[*:1] c1ncc(nc1C[NH2+][*:1])OC[C@H]1CCCCO1
CC(C)[NH2+]Cc1cncc(OC[C@H]2CCCCO2)n1 C1CC[C@@H](OC1)[*:1] CC(C)[NH2+]Cc1cncc(n1)OC[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 Fc1ccc(cc1)O[*:1] C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)N1CCOCC1)[*:1]
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 Fc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)S(=O)(=O)N1CCOCC1
CCn1/c(=N/C(=O)c2cc(C(C)=O)cn2C)[nH]c2cc(Cl)ccc21 CC(=O)[*:1] CCn1/c(=N/C(=O)c2cc(cn2C)[*:1])[nH]c2cc(Cl)ccc21
OC[C@@H](O)[C@@H](O)[C@@H](O)c1cnn(-c2ccc(Br)cc2)n1 OC[C@@H](O)[*:1] O[C@@H](c1cnn(n1)-c1ccc(Br)cc1)[C@H](O)[*:1]
CCOc1cc2c(cc1/C=C/C(=O)N[C@H]1C[C@@H]1C)O[C@H](C)C2 CCO[*:1] C[C@H]1C[C@@H]1NC(=O)/C=C/c1cc2O[C@H](C)Cc2cc1[*:1]
CCOc1cc2c(cc1/C=C/C(=O)N[C@H]1C[C@@H]1C)O[C@H](C)C2 C[C@H]1C[C@@H]1NC(=O)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1C=C[*:1]
CCOc1cc2c(cc1/C=C/C(=O)N[C@H]1C[C@@H]1C)O[C@H](C)C2 C[C@H]1C[C@@H]1[*:1] CCOc1cc2C[C@@H](C)Oc2cc1/C=C/C(=O)N[*:1]
CCc1nc(COC)cc(N2CCCC[C@H]2C(=O)[O-])n1 O=C([O-])[*:1] CCc1nc(cc(n1)N1CCCC[C@@H]1[*:1])COC
CCc1nc(COC)cc(N2CCCC[C@H]2C(=O)[O-])n1 COC[*:1] CCc1nc(cc(n1)[*:1])N1CCCC[C@H]1C(=O)[O-]
O=C(C[C@@H]([NH2+]Cc1cccnc1)C(=O)[O-])Nc1ccc2ccccc2c1 c1cncc(c1)C[*:1] O=C(C[C@@H]([NH2+][*:1])C(=O)[O-])Nc1ccc2ccccc2c1
O=C(C[C@@H]([NH2+]Cc1cccnc1)C(=O)[O-])Nc1ccc2ccccc2c1 c1cncc(c1)[*:1] O=C(C[C@@H]([NH2+]C[*:1])C(=O)[O-])Nc1ccc2ccccc2c1
N#Cc1ccc(OCc2cc(F)cc(Br)c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1ccc(OCc2cc(F)cc(Br)c2)c(c1)[*:1]
C[C@@H]1CN(c2ccc(C(N)=[NH2+])cn2)[C@H](C)CO1 NC(=[NH2+])[*:1] C[C@@H]1CN(c2ccc(cn2)[*:1])[C@H](C)CO1
O=C(CC/N=C(\O)c1ncccc1O)NCCc1cccc2ccccc12 Oc1cccnc1[*:1] O=C(CC/N=C(\O)[*:1])NCCc1cccc2ccccc12
CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OC)c(C)c2)cc1 CCO[*:1] COc1ccc(cc1C)NC(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
Cc1oc(-c2cccs2)nc1CN1C(=O)N(C)C2(CCCCC2)C1=O c1csc(c1)[*:1] Cc1oc(nc1CN1C(=O)N(C)C2(CCCCC2)C1=O)[*:1]
CN(C)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)nc1 c1ccc(cc1)O[*:1] CN(C)c1ccc(nc1)NC(=O)c1ccccc1[*:1]
CN(C)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)nc1 CN(C)[*:1] O=C(Nc1ccc(cn1)[*:1])c1ccccc1Oc1ccccc1
CN(C)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)nc1 c1ccc(cc1)[*:1] CN(C)c1ccc(nc1)NC(=O)c1ccccc1O[*:1]
COC[C@](C)(NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 COC[*:1] C[C@](NC(=O)CN1C(=O)c2ccccc2C1=O)(c1ccccc1)[*:1]
COC[C@](C)(NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 c1ccc(cc1)[*:1] COC[C@](C)(NC(=O)CN1C(=O)c2ccccc2C1=O)[*:1]
CC(C)[C@H](NC(=O)c1n[nH]c(C2CC2)n1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1n[nH]c(n1)C1CC1)[*:1]
CC(C)[C@H](NC(=O)c1n[nH]c(C2CC2)n1)c1ccccc1 C1CC1[*:1] CC(C)[C@H](NC(=O)c1n[nH]c(n1)[*:1])c1ccccc1
CC(C)[C@H](NC(=O)c1n[nH]c(C2CC2)n1)c1ccccc1 CC(C)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1n[nH]c(n1)C1CC1
COc1ccccc1/C=C/C[NH2+][C@@H](C)[C@H](C)CO C[C@H](CO)[*:1] COc1ccccc1/C=C/C[NH2+][C@@H](C)[*:1]
CCc1cc(SC#N)cc(C)c1I N#CS[*:1] CCc1cc(cc(C)c1I)[*:1]
CC1(CC(=O)NC[C@H](O)c2cccc(OC(F)F)c2)CCCCC1 FC(F)O[*:1] CC1(CCCCC1)CC(=O)NC[C@H](O)c1cccc(c1)[*:1]
CC1(CC(=O)NC[C@H](O)c2cccc(OC(F)F)c2)CCCCC1 CC1(CCCCC1)[*:1] O=C(C[*:1])NC[C@H](O)c1cccc(c1)OC(F)F
CC1(CC(=O)NC[C@H](O)c2cccc(OC(F)F)c2)CCCCC1 CC1(CCCCC1)C[*:1] O=C(NC[C@H](O)c1cccc(c1)OC(F)F)[*:1]
CC1(CC(=O)NC[C@H](O)c2cccc(OC(F)F)c2)CCCCC1 FC(F)[*:1] CC1(CCCCC1)CC(=O)NC[C@H](O)c1cccc(c1)O[*:1]
COC[C@H](C)NC(=O)C(=O)Nc1ccc2nc(C)sc2c1 COC[*:1] Cc1nc2ccc(cc2s1)NC(=O)C(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)C(=O)Nc1ccc2nc(C)sc2c1 COC[C@H](C)[*:1] Cc1nc2ccc(cc2s1)NC(=O)C(=O)N[*:1]
COC(=O)c1c(NC(=O)Cc2coc3cc(C)ccc23)sc2c1CCCC2 COC(=O)[*:1] Cc1ccc2c(coc2c1)CC(=O)Nc1sc2CCCCc2c1[*:1]
CCC(=O)Nc1cccc(C(=O)N[C@H](C)COC)c1 COC[*:1] CCC(=O)Nc1cccc(c1)C(=O)N[C@H](C)[*:1]
CCC(=O)Nc1cccc(C(=O)N[C@H](C)COC)c1 CCC(=O)N[*:1] COC[C@@H](C)NC(=O)c1cccc(c1)[*:1]
CCC(=O)Nc1cccc(C(=O)N[C@H](C)COC)c1 COC[C@@H](C)[*:1] CCC(=O)Nc1cccc(c1)C(=O)N[*:1]
CC[C@@H](Nc1ccccc1)C(=O)N1CCn2nc(C(=O)N3CCCC3)cc2C1 O=C(N1CCCC1)[*:1] CC[C@@H](Nc1ccccc1)C(=O)N1CCn2nc(cc2C1)[*:1]
CC[C@@H](Nc1ccccc1)C(=O)N1CCn2nc(C(=O)N3CCCC3)cc2C1 c1ccc(cc1)[*:1] CC[C@@H](N[*:1])C(=O)N1CCn2nc(cc2C1)C(=O)N1CCCC1
CC[C@@H](Nc1ccccc1)C(=O)N1CCn2nc(C(=O)N3CCCC3)cc2C1 c1ccc(cc1)N[*:1] CC[C@@H](C(=O)N1CCn2nc(cc2C1)C(=O)N1CCCC1)[*:1]
CCCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12 Fc1ccc(cc1)[*:1] CCCNC(=O)[C@@H](C)Sc1nnc(c2ccccc12)[*:1]
CCCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12 CCC[*:1] C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)N[*:1]
CCCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12 CCCNC(=O)[*:1] C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)[*:1]
CC(C)N(C[C@@H]1C[C@H]1C)C(=O)NCc1ccnc(-n2cccn2)c1 c1cnn(c1)[*:1] CC(C)N(C[C@@H]1C[C@H]1C)C(=O)NCc1ccnc(c1)[*:1]
CC(C)N(C[C@@H]1C[C@H]1C)C(=O)NCc1ccnc(-n2cccn2)c1 CC(C)[*:1] C[C@@H]1C[C@H]1CN(C(=O)NCc1ccnc(c1)-n1cccn1)[*:1]
CC(C)(C)c1nnc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)s1 CC(C)(C)[*:1] N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nnc(s1)[*:1]
Clc1cccn2c(-c3ccc(Sc4ncn[nH]4)o3)nnc12 c1n[nH]c(n1)[*:1] Clc1cccn2c(nnc12)-c1ccc(o1)S[*:1]
Clc1cccn2c(-c3ccc(Sc4ncn[nH]4)o3)nnc12 c1n[nH]c(n1)S[*:1] Clc1cccn2c(nnc12)-c1ccc(o1)[*:1]
CC[C@H](C)N1C[C@H](c2ccccc2)[NH2+]C[C@@H]1C1CC1 C1CC1[*:1] CC[C@H](C)N1C[C@@H]([NH2+]C[C@H]1[*:1])c1ccccc1
CC[C@H](C)N1C[C@H](c2ccccc2)[NH2+]C[C@@H]1C1CC1 CC[C@H](C)[*:1] c1ccc(cc1)[C@H]1CN([C@H](C[NH2+]1)C1CC1)[*:1]
CC[C@H](C)N1C[C@H](c2ccccc2)[NH2+]C[C@@H]1C1CC1 c1ccc(cc1)[*:1] CC[C@H](C)N1C[C@H]([NH2+]C[C@@H]1C1CC1)[*:1]
CCC[C@@](C)(NC(=O)CN1CCc2ccccc2C1)C(=O)OC CCC[*:1] COC(=O)[C@@](C)(NC(=O)CN1CCc2ccccc2C1)[*:1]
CCC[C@@](C)(NC(=O)CN1CCc2ccccc2C1)C(=O)OC COC(=O)[*:1] CCC[C@@](C)(NC(=O)CN1CCc2ccccc2C1)[*:1]
CCN[C@@H](c1cncc(F)c1)C(CC)(CC)[NH+](C)C CCN[*:1] CCC(CC)([C@H](c1cncc(F)c1)[*:1])[NH+](C)C
Cc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@H]23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]42)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C1=NO[C@@H]2[C@H]3C[C@@H]([C@H]12)[C@H]1C(=O)N(C(=O)[C@H]31)[*:1]
Cc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@H]23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]42)cc1 Cc1ccc(cc1)[*:1] O=C1[C@@H]2[C@@H]3C[C@@H]([C@@H]4C(=NO[C@H]34)[*:1])[C@H]2C(=O)N1c1ccccc1
O=[N+]([O-])c1ccc(-c2n[nH]c(CO)n2)cc1 O=[N+]([O-])[*:1] OCc1nc(n[nH]1)-c1ccc(cc1)[*:1]
COCCNC(=O)N1CCC[C@H]1Cc1ccccc1 COCC[*:1] O=C(N[*:1])N1CCC[C@H]1Cc1ccccc1
COCCNC(=O)N1CCC[C@H]1Cc1ccccc1 COC[*:1] O=C(NC[*:1])N1CCC[C@H]1Cc1ccccc1
COCCNC(=O)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] COCCNC(=O)N1CCC[C@H]1C[*:1]
Cn1cc(NC(=O)CSCC(F)(F)F)cc(Br)c1=O FC(F)(F)[*:1] Cn1cc(cc(Br)c1=O)NC(=O)CSC[*:1]
Cn1cc(NC(=O)CSCC(F)(F)F)cc(Br)c1=O FC(F)(F)CS[*:1] Cn1cc(cc(Br)c1=O)NC(=O)C[*:1]
Cn1cc(NC(=O)CSCC(F)(F)F)cc(Br)c1=O FC(F)(F)C[*:1] Cn1cc(cc(Br)c1=O)NC(=O)CS[*:1]
COc1cccc(-c2noc3c2CN(Cc2ccc4c(c2)CCO4)CC3)c1 c1cc2OCCc2cc1[*:1] COc1cccc(c1)-c1noc2CCN(Cc12)C[*:1]
COc1cccc(-c2noc3c2CN(Cc2ccc4c(c2)CCO4)CC3)c1 COc1cccc(c1)[*:1] c1cc2OCCc2cc1CN1CCc2onc(c2C1)[*:1]
C[C@@H](CSC(C)(C)C)[NH2+]Cc1nncn1C1CC1 CC(C)(C)S[*:1] C[C@@H](C[*:1])[NH2+]Cc1nncn1C1CC1
C[C@@H](CSC(C)(C)C)[NH2+]Cc1nncn1C1CC1 C1CC1[*:1] C[C@@H](CSC(C)(C)C)[NH2+]Cc1nncn1[*:1]
C[C@@H](CSC(C)(C)C)[NH2+]Cc1nncn1C1CC1 CC(C)(C)[*:1] C[C@@H](CS[*:1])[NH2+]Cc1nncn1C1CC1
C[C@@H](CSC(C)(C)C)[NH2+]Cc1nncn1C1CC1 CC(C)(C)SC[*:1] C[C@@H]([NH2+]Cc1nncn1C1CC1)[*:1]
CC(=O)N1CCCc2cc(Nc3nc(C4CC4)ns3)ccc21 C1CC1[*:1] CC(=O)N1CCCc2cc(ccc21)Nc1nc(ns1)[*:1]
CCCCNC(=O)COc1ccc(Br)cc1C CCC[*:1] Cc1cc(Br)ccc1OCC(=O)NC[*:1]
CCCCNC(=O)COc1ccc(Br)cc1C CCCC[*:1] Cc1cc(Br)ccc1OCC(=O)N[*:1]
Cc1cnc(Cl)nc1NC[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cnc(Cl)nc1NC[C@H](O)[*:1]
CC(C)[NH+]1CCc2c(nc(C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)[nH]c2=O)C1 Fc1ccc(cc1F)C[*:1] CC(C)[NH+]1CCc2c(C1)nc([nH]c2=O)C1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCc2c(nc(C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)[nH]c2=O)C1 Fc1ccc(cc1F)[*:1] CC(C)[NH+]1CCc2c(C1)nc([nH]c2=O)C1CC[NH+](CC1)C[*:1]
CC(C)[NH+]1CCc2c(nc(C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)[nH]c2=O)C1 CC(C)[*:1] O=c1[nH]c(nc2C[NH+](CCc21)[*:1])C1CC[NH+](CC1)Cc1ccc(F)c(F)c1
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1 C1CC1[*:1] Cc1cccc(c1S(=O)(=O)N(C[C@@H]1CCOC1)[*:1])[N+](=O)[O-]
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1 O=[N+]([O-])[*:1] Cc1cccc(c1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1)[*:1]
COc1ccc([C@@H]2c3c(nc[n+](CCN4CCOCC4)c3N)Oc3ccc4ccccc4c32)cc1OC C1CN(CCO1)C[*:1] COc1ccc(cc1OC)[C@@H]1c2c(nc[n+](C[*:1])c2N)Oc2ccc3ccccc3c21
COc1ccc([C@@H]2c3c(nc[n+](CCN4CCOCC4)c3N)Oc3ccc4ccccc4c32)cc1OC COc1ccc(cc1OC)[*:1] Nc1c2c(nc[n+]1CCN1CCOCC1)Oc1ccc3ccccc3c1[C@@H]2[*:1]
COc1ccc([C@@H]2c3c(nc[n+](CCN4CCOCC4)c3N)Oc3ccc4ccccc4c32)cc1OC C1CN(CCO1)[*:1] COc1ccc(cc1OC)[C@@H]1c2c(nc[n+](CC[*:1])c2N)Oc2ccc3ccccc3c21
COc1ccc([C@@H]2c3c(nc[n+](CCN4CCOCC4)c3N)Oc3ccc4ccccc4c32)cc1OC C1CN(CCO1)CC[*:1] COc1ccc(cc1OC)[C@@H]1c2c(nc[n+](c2N)[*:1])Oc2ccc3ccccc3c21
O=C(c1cccc(Cl)c1)c1cccc(C2OCCO2)c1 C1COC(O1)[*:1] O=C(c1cccc(Cl)c1)c1cccc(c1)[*:1]
O=C(NCc1ccc(-c2cc3ccccc3o2)cc1)c1cc2cn[nH]c2cn1 c1n[nH]c2cnc(cc12)[*:1] O=C(NCc1ccc(cc1)-c1cc2ccccc2o1)[*:1]
O=C(NCc1ccc(-c2cc3ccccc3o2)cc1)c1cc2cn[nH]c2cn1 c1ccc2oc(cc2c1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc2cn[nH]c2cn1
C[C@@H]1CN(Cc2nc3ccccc3c(=O)n2Cc2ccco2)CCO1 c1coc(c1)[*:1] C[C@@H]1CN(CCO1)Cc1nc2ccccc2c(=O)n1C[*:1]
C[C@@H]1CN(Cc2nc3ccccc3c(=O)n2Cc2ccco2)CCO1 c1coc(c1)C[*:1] C[C@@H]1CN(CCO1)Cc1nc2ccccc2c(=O)n1[*:1]
Cc1ccc(N2C[C@@H](C(=O)N(C)CC(N)=O)CCC2=O)cc1C NC(=O)[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N(C)C[*:1]
Cc1ccc(N2C[C@@H](C(=O)N(C)CC(N)=O)CCC2=O)cc1C NC(=O)C[*:1] Cc1ccc(cc1C)N1C[C@H](CCC1=O)C(=O)N(C)[*:1]
CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)ccc2o1 Fc1cccc(c1)[*:1] CC(C)(C)c1nc2cc(ccc2o1)NC(=O)[C@@H]1CC(=NO1)[*:1]
CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)ccc2o1 CC(C)(C)[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])[C@@H]1CC(=NO1)c1cccc(F)c1
CCn1nnc2cc(C(=O)N[C@H](CC(=O)OC)C3CC3)ccc21 COC(=O)C[*:1] CCn1nnc2cc(ccc21)C(=O)N[C@H](C1CC1)[*:1]
CCn1nnc2cc(C(=O)N[C@H](CC(=O)OC)C3CC3)ccc21 C1CC1[*:1] CCn1nnc2cc(ccc21)C(=O)N[C@H](CC(=O)OC)[*:1]
CCn1nnc2cc(C(=O)N[C@H](CC(=O)OC)C3CC3)ccc21 COC(=O)[*:1] CCn1nnc2cc(ccc21)C(=O)N[C@H](C[*:1])C1CC1
C[C@H]1OCC[C@H]1C(=O)N1CCN(CCO)CC1 OCC[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCN(CC1)[*:1]
C/[NH+]=C(/NC[C@H]1CC=CCC1)N1CCC(C(=O)OC)CC1 COC(=O)[*:1] C/[NH+]=C(/NC[C@H]1CC=CCC1)N1CCC(CC1)[*:1]
Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCCCC[C@@H]1c1cccn1C CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CCC(=O)N1CCCCC[C@@H]1c1cccn1C
Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCCCC[C@@H]1c1cccn1C CC(C)C[*:1] Cc1nn(c(C)c1CCC(=O)N1CCCCC[C@@H]1c1cccn1C)[*:1]
Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCCCC[C@@H]1c1cccn1C Cn1cccc1[*:1] Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCCCC[C@H]1[*:1]
CCOC(=O)c1ccc(S(=O)(=O)N[C@H]2CCSc3ccccc32)cc1 CCOC(=O)[*:1] O=S(=O)(N[C@H]1CCSc2ccccc21)c1ccc(cc1)[*:1]
CC(C)c1nc(C(=O)N2CCC[C@@H]2C)n[nH]1 CC(C)[*:1] C[C@H]1CCCN1C(=O)c1n[nH]c(n1)[*:1]
COC(=O)[C@]1(C#N)C(C)(C)[C@@]1(C#N)C(=O)OC COC(=O)[*:1] COC(=O)[C@]1(C#N)C(C)(C)[C@]1(C#N)[*:1]
CCc1nsc(N2CCCN(Cc3ccc(F)cc3C#N)CC2)n1 CCc1nsc(n1)[*:1] N#Cc1cc(F)ccc1CN1CCCN(CC1)[*:1]
CCCCNS(=O)(=O)c1ccc(Br)s1 CCC[*:1] O=S(=O)(NC[*:1])c1ccc(Br)s1
CCCCNS(=O)(=O)c1ccc(Br)s1 CCCC[*:1] O=S(=O)(N[*:1])c1ccc(Br)s1
CCN1CCN(C(=O)C2=CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1 Brc1ccc(cc1)[*:1] CCN1CCN(CC1)C(=O)C1=CCN(CC1)S(=O)(=O)[*:1]
CN(CC(C)(C)O)C(=O)N1CCCCCC1 CC(C)(O)C[*:1] CN(C(=O)N1CCCCCC1)[*:1]
CN(CC(C)(C)O)C(=O)N1CCCCCC1 CC(C)(O)[*:1] CN(C[*:1])C(=O)N1CCCCCC1
NC(=O)NC(=O)[C@H](Nc1ccc(F)cc1)c1ccccc1 NC(=O)NC(=O)[*:1] Fc1ccc(cc1)N[C@H](c1ccccc1)[*:1]
NC(=O)NC(=O)[C@H](Nc1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)NC(=O)[C@H](Nc1ccc(F)cc1)[*:1]
NC(=O)NC(=O)[C@H](Nc1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] NC(=O)NC(=O)[C@H](N[*:1])c1ccccc1
O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)N1CCN(CC1)C(=O)[*:1]
O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)N1CCN(C(=O)c2ccco2)CC1 Fc1ccc(cc1)[*:1] O=C(COc1ncnc2scc(c12)[*:1])N1CCN(CC1)C(=O)c1ccco1
C[C@H]([NH2+][C@H](C)c1ccoc1)c1cccc(OC(F)F)c1 c1cc(co1)[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1cccc(c1)OC(F)F
C[C@H]([NH2+][C@H](C)c1ccoc1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H]([NH2+][C@H](C)c1ccoc1)c1cccc(c1)[*:1]
C[C@H]([NH2+][C@H](C)c1ccoc1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H]([NH2+][C@H](C)c1ccoc1)c1cccc(c1)O[*:1]
CCC[C@@H](C)NC(=O)Nc1ccc(Br)cc1 CCC[*:1] C[C@@H](NC(=O)Nc1ccc(Br)cc1)[*:1]
CCC[C@@H](C)NC(=O)Nc1ccc(Br)cc1 CCC[C@@H](C)[*:1] O=C(Nc1ccc(Br)cc1)N[*:1]
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C(=O)Nc2ccc3c(c2)CCO3)C1 Fc1cccc(c1)[*:1] C[C@@H]1C[C@@H](N(C1)C(=O)C(=O)Nc1ccc2OCCc2c1)[*:1]
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C(=O)Nc2ccc3c(c2)CCO3)C1 c1cc2OCCc2cc1[*:1] C[C@@H]1C[C@@H](c2cccc(F)c2)N(C1)C(=O)C(=O)N[*:1]
O=C1C2=C(Nc3nnnn3[C@@H]2c2ccc(Br)cc2)c2ccccc21 Brc1ccc(cc1)[*:1] O=C1C2=C(Nc3nnnn3[C@H]2[*:1])c2ccccc21
O=C(Cn1ccc(C(F)(F)F)n1)NN1Cc2ccccc2C1 FC(F)(F)[*:1] O=C(Cn1ccc(n1)[*:1])NN1Cc2ccccc2C1
C[C@H]1C(=O)NCCN1C(=O)CCCO OCCC[*:1] C[C@H]1C(=O)NCCN1C(=O)[*:1]
C[C@H]1C(=O)NCCN1C(=O)CCCO OCC[*:1] C[C@H]1C(=O)NCCN1C(=O)C[*:1]
CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(-c3ccccc3)cc2)s1 CC(C)[*:1] NC(=O)c1cc(sc1NC(=O)c1ccc(cc1)-c1ccccc1)[*:1]
CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(-c3ccccc3)cc2)s1 c1ccc(cc1)[*:1] CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(cc2)[*:1])s1
CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(-c3ccccc3)cc2)s1 NC(=O)[*:1] CC(C)c1cc(c(NC(=O)c2ccc(cc2)-c2ccccc2)s1)[*:1]
C[C@@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)[*:1]
C[C@@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1F Clc1ccc(cc1)[*:1] C[C@@H](CNC(=O)C[C@@H](O)[*:1])c1ccc(F)cc1F
CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(S(N)(=O)=O)c1 O=C([O-])C[*:1] CC(C)(CC(=O)Nc1cccc(c1)S(N)(=O)=O)[*:1]
CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(c1)[*:1]
CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(S(N)(=O)=O)c1 O=C([O-])[*:1] CC(C)(CC(=O)Nc1cccc(c1)S(N)(=O)=O)C[*:1]
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)N2CCCCCC2)CC1 Cc1ccc(Cl)cc1[*:1] O=S(=O)(N1CCCCCC1)N1CCN(CC1)[*:1]
C[C@H]1CCCCN1c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)c[nH+]1 c1cncc(c1)O[*:1] C[C@H]1CCCCN1c1ccc(c[nH+]1)C(=O)N1CCC(CC1)[*:1]
C[C@H]1CCCCN1c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)c[nH+]1 c1cncc(c1)[*:1] C[C@H]1CCCCN1c1ccc(c[nH+]1)C(=O)N1CCC(CC1)O[*:1]
C[NH+](C)[C@H](CNC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1Cl Clc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)Cc1csc(n1)-c1cccs1)[*:1]
C[NH+](C)[C@H](CNC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1Cl c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)Cc1csc(n1)[*:1])c1ccccc1Cl
O=C(Cc1ccc(Br)cc1)NCCC1=c2ccccc2=[NH+]C1 Brc1ccc(cc1)[*:1] O=C(C[*:1])NCCC1C[NH+]=c2ccccc2=1
C=C(C)C[C@@H]1CCC(=O)N1CCc1ccc(OC)cc1 C=C(C)C[*:1] COc1ccc(cc1)CCN1C(=O)CC[C@H]1[*:1]
C=C(C)C[C@@H]1CCC(=O)N1CCc1ccc(OC)cc1 C=C(C)[*:1] COc1ccc(cc1)CCN1C(=O)CC[C@H]1C[*:1]
COc1cc(C#N)ccc1OCC[S@](=O)[C@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1cc(C#N)ccc1OCC[S@](=O)[C@H](C)[*:1]
CCC(C)(C)[NH+](C)Cc1ccc(C(=O)OC)cn1 CCC(C)(C)[*:1] COC(=O)c1ccc(C[NH+](C)[*:1])nc1
CCC(C)(C)[NH+](C)Cc1ccc(C(=O)OC)cn1 COC(=O)[*:1] CCC(C)(C)[NH+](C)Cc1ccc(cn1)[*:1]
O=CN1CCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 O=C(N1CCOCC1)[*:1] O=CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
C=C(C)C(=O)Nc1cc(C(F)(F)F)ccc1N(CC)CC C=C(C)C(=O)N[*:1] CCN(CC)c1ccc(cc1[*:1])C(F)(F)F
C=C(C)C(=O)Nc1cc(C(F)(F)F)ccc1N(CC)CC CCN(CC)[*:1] C=C(C)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
C=C(C)C(=O)Nc1cc(C(F)(F)F)ccc1N(CC)CC C=C(C)[*:1] CCN(CC)c1ccc(cc1NC(=O)[*:1])C(F)(F)F
C=C(C)C(=O)Nc1cc(C(F)(F)F)ccc1N(CC)CC FC(F)(F)[*:1] C=C(C)C(=O)Nc1cc(ccc1N(CC)CC)[*:1]
CC(C)CC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[NH2+]CC[*:1]
CC(C)CC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)C[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[NH2+]C[*:1]
CC(C)CC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 CC(C)CC[*:1] CS(=O)(=O)[C@H]1CCC[C@@H](C1)[NH2+][*:1]
CC(C)CC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CC(C)CC[NH2+][C@H]1CCC[C@H](C1)[*:1]
COC1CCN(CC[NH2+]Cc2cnn(-c3ccccc3)n2)CC1 c1ccc(cc1)[*:1] COC1CCN(CC[NH2+]Cc2cnn(n2)[*:1])CC1
COc1cccc2c1OC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 O=[N+]([O-])[*:1] COc1cccc2C[C@@H](COc21)NC(=O)Nc1cccc(c1C)[*:1]
CC(C)NC(=O)Cn1ccc2c(Cl)cccc21 CC(C)[*:1] O=C(Cn1ccc2c(Cl)cccc21)N[*:1]
C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cccc3c2OCO3)CC1 c1ccc(cc1)[*:1] C[C@@H](c1nc(no1)[*:1])N1CC[NH+](CC1)Cc1cccc2OCOc12
C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cccc3c2OCO3)CC1 c1cc2OCOc2c(c1)[*:1] C[C@@H](c1nc(no1)-c1ccccc1)N1CC[NH+](CC1)C[*:1]
O=C(NCC[C@@H](O)c1ccoc1)C(=O)Nc1ccccc1 c1cc(co1)[*:1] O=C(NCC[C@@H](O)[*:1])C(=O)Nc1ccccc1
O=C(NCC[C@@H](O)c1ccoc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[C@@H](O)c1ccoc1)C(=O)N[*:1]
O=C(Cc1ccccc1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 c1ccc(cc1)[*:1] O=C(C[*:1])N[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
O=C(Cc1ccccc1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Cc1ccccc1)N[C@H]1CC(=O)N(C1)[*:1]
O=C(Cc1ccccc1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 c1ccc(cc1)C[*:1] O=C1C[C@@H](CN1c1ccc(Cl)cc1)NC(=O)[*:1]
COc1ccccc1NC(=O)NCC1(Sc2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)NCC1(CC1)S[*:1]
COc1ccccc1NC(=O)NCC1(Sc2ccccc2)CC1 c1ccc(cc1)S[*:1] COc1ccccc1NC(=O)NCC1(CC1)[*:1]
O=C(Nc1cccc(OC(F)F)c1)[C@H]1SCCc2ccccc21 FC(F)O[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1SCCc2ccccc21
O=C(Nc1cccc(OC(F)F)c1)[C@H]1SCCc2ccccc21 FC(F)[*:1] O=C(Nc1cccc(c1)O[*:1])[C@H]1SCCc2ccccc21
O=C(CCc1cscn1)Nc1cnn(-c2ccccc2F)c1 c1nc(cs1)CC[*:1] O=C(Nc1cnn(c1)-c1ccccc1F)[*:1]
O=C(CCc1cscn1)Nc1cnn(-c2ccccc2F)c1 c1nc(cs1)C[*:1] O=C(C[*:1])Nc1cnn(c1)-c1ccccc1F
O=C(CCc1cscn1)Nc1cnn(-c2ccccc2F)c1 c1nc(cs1)[*:1] O=C(CC[*:1])Nc1cnn(c1)-c1ccccc1F
O=C(CCc1cscn1)Nc1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] O=C(CCc1cscn1)Nc1cnn(c1)[*:1]
Cc1cc(C(=O)NCC(=O)NC(C)C)n(C)n1 CC(C)[*:1] Cc1cc(C(=O)NCC(=O)N[*:1])n(C)n1
Cc1c(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)cnn1C(C)C O=C(N[*:1])c1ccccc1 Cc1c(cnn1C(C)C)C(=O)N1CCCC[C@H]1C[*:1]
Cc1c(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)cnn1C(C)C c1ccc(cc1)[*:1] Cc1c(cnn1C(C)C)C(=O)N1CCCC[C@H]1CNC(=O)[*:1]
Cc1c(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1
Cc1c(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)cnn1C(C)C Cc1c(cnn1C(C)C)[*:1] O=C(NC[C@@H]1CCCCN1C(=O)[*:1])c1ccccc1
CS[C@@H](C)CNS(=O)(=O)N1CCC(C(C)(C)C)CC1 CC(C)(C)[*:1] CS[C@@H](C)CNS(=O)(=O)N1CCC(CC1)[*:1]
C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)C1CCCCC1 CS(=O)(=O)[*:1] C[C@H]([NH2+]CC(C)(C)[*:1])C1CCCCC1
Cc1cnc(NC(=O)c2cnc([C@H]3CCCO3)s2)s1 Cc1cnc(s1)[*:1] O=C(N[*:1])c1cnc(s1)[C@H]1CCCO1
Cc1cnc(NC(=O)c2cnc([C@H]3CCCO3)s2)s1 C1CO[C@H](C1)[*:1] Cc1cnc(NC(=O)c2cnc(s2)[*:1])s1
CCN(CC)C(=O)c1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1 CCN(CC)C(=O)[*:1] O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(c1)[*:1]
CCN(CC)C(=O)c1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1 c1ccc2[nH]c(nc2c1)[*:1] CCN(CC)C(=O)c1cccc(c1)NC(=O)CC[*:1]
O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1n[nH]c2ccccc12 C1CN(CCO1)[*:1] O=C(NC[C@H]([C@H]1CCOC1)[*:1])c1n[nH]c2ccccc12
O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1n[nH]c2ccccc12 C1C[C@@H](CO1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1n[nH]c2ccccc12
COC[C@@H]([NH2+][C@H]1CCc2ccc(OC)cc2C1)C1CC1 C1CC1[*:1] COC[C@@H]([NH2+][C@H]1CCc2ccc(cc2C1)OC)[*:1]
COC[C@@H]([NH2+][C@H]1CCc2ccc(OC)cc2C1)C1CC1 COC[*:1] COc1ccc2CC[C@@H](Cc2c1)[NH2+][C@@H](C1CC1)[*:1]
CCCS[C@@H]1CC[C@@]([NH2+]CC)(C(=O)[O-])C1 CCCS[*:1] CC[NH2+][C@]1(CC[C@H](C1)[*:1])C(=O)[O-]
CCCS[C@@H]1CC[C@@]([NH2+]CC)(C(=O)[O-])C1 O=C([O-])[*:1] CCCS[C@@H]1CC[C@](C1)([NH2+]CC)[*:1]
CCCS[C@@H]1CC[C@@]([NH2+]CC)(C(=O)[O-])C1 CCC[*:1] CC[NH2+][C@]1(CC[C@H](C1)S[*:1])C(=O)[O-]
CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc(C)ccc2O)c1 CC[C@H](C)[*:1] Cc1ccc(O)c(c1)C(=O)NCc1cccc(c1)C(=O)N[*:1]
CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc(C)ccc2O)c1 CC[C@H](C)NC(=O)[*:1] Cc1ccc(O)c(c1)C(=O)NCc1cccc(c1)[*:1]
CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc(C)ccc2O)c1 Cc1ccc(O)c(c1)[*:1] CC[C@H](C)NC(=O)c1cccc(c1)CNC(=O)[*:1]
Cc1nnsc1C(=O)NC[C@]1(O)CCc2ccccc2C1 Cc1nnsc1[*:1] O=C(NC[C@]1(O)CCc2ccccc2C1)[*:1]
CC(C)c1nc(C(=O)NCc2cccc(Cl)c2)n[nH]1 CC(C)[*:1] O=C(NCc1cccc(Cl)c1)c1n[nH]c(n1)[*:1]
CN1CC2(CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)OC1=O Clc1ccc(c(Cl)c1)[*:1] CN1CC2(CCN(CC2)C(=O)CO[*:1])OC1=O
CCc1csc(NC(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)n1 CC(C)(C)[*:1] CCc1csc(n1)NC(=O)NC1CCC(CC1)C(=O)O[*:1]
CCc1csc(NC(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)n1 CC(C)(C)OC(=O)[*:1] CCc1csc(n1)NC(=O)NC1CCC(CC1)[*:1]
CCc1csc(NC(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)n1 CCc1csc(n1)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)N[*:1]
CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1)c1cccs1 COC(=O)[*:1] CC[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1cccs1
CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NS(=O)(=O)c1ccc(cc1)C(=O)OC)[*:1]
C[C@H](C(=O)N[C@@H](Cc1cccs1)c1ccccn1)N1C(=O)NC(C)(C)C1=O CC1(C)NC(=O)N(C1=O)[*:1] C[C@H](C(=O)N[C@@H](Cc1cccs1)c1ccccn1)[*:1]
C[C@H](C(=O)N[C@@H](Cc1cccs1)c1ccccn1)N1C(=O)NC(C)(C)C1=O c1csc(c1)C[*:1] C[C@H](C(=O)N[C@@H](c1ccccn1)[*:1])N1C(=O)NC(C)(C)C1=O
C[C@H](C(=O)N[C@@H](Cc1cccs1)c1ccccn1)N1C(=O)NC(C)(C)C1=O c1csc(c1)[*:1] C[C@H](C(=O)N[C@@H](C[*:1])c1ccccn1)N1C(=O)NC(C)(C)C1=O
C[C@H](C(=O)N[C@@H](Cc1cccs1)c1ccccn1)N1C(=O)NC(C)(C)C1=O c1ccc(nc1)[*:1] C[C@H](C(=O)N[C@@H](Cc1cccs1)[*:1])N1C(=O)NC(C)(C)C1=O
C[C@H]([NH2+]C/C=C/c1ccc(C#N)cc1)[C@@H](O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]C/C=C/c1ccc(C#N)cc1)[C@@H](O)C[*:1]
C[C@H]([NH2+]C/C=C/c1ccc(C#N)cc1)[C@@H](O)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]([NH2+]C/C=C/c1ccc(C#N)cc1)[C@@H](O)[*:1]
COCCNC(=O)c1sc(COc2ccc(Cl)c(C)c2)nc1C COCC[*:1] Cc1cc(ccc1Cl)OCc1nc(C)c(s1)C(=O)N[*:1]
COCCNC(=O)c1sc(COc2ccc(Cl)c(C)c2)nc1C COCCNC(=O)[*:1] Cc1cc(ccc1Cl)OCc1nc(C)c(s1)[*:1]
COCCNC(=O)c1sc(COc2ccc(Cl)c(C)c2)nc1C COC[*:1] Cc1cc(ccc1Cl)OCc1nc(C)c(s1)C(=O)NC[*:1]
COCCNC(=O)NC(=O)CSc1ccc(N)nc1 COC[*:1] Nc1ccc(cn1)SCC(=O)NC(=O)NC[*:1]
COCCNC(=O)NC(=O)CSc1ccc(N)nc1 COCC[*:1] Nc1ccc(cn1)SCC(=O)NC(=O)N[*:1]
N#CCOc1cccc(CC(=O)NCc2cn(-c3ccccc3)nn2)c1 c1ccc(cc1)[*:1] N#CCOc1cccc(c1)CC(=O)NCc1cn(nn1)[*:1]
N#CCOc1cccc(CC(=O)NCc2cn(-c3ccccc3)nn2)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])NCc1cn(nn1)-c1ccccc1
N#CCOc1cccc(CC(=O)NCc2cn(-c3ccccc3)nn2)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])NCc1cn(nn1)-c1ccccc1
O=S(=O)(CCC1CC1)NC[C@H](O)c1ccncc1 C1CC1C[*:1] O=S(=O)(C[*:1])NC[C@H](O)c1ccncc1
O=S(=O)(CCC1CC1)NC[C@H](O)c1ccncc1 c1cc(ccn1)[*:1] O=S(=O)(CCC1CC1)NC[C@H](O)[*:1]
O=S(=O)(CCC1CC1)NC[C@H](O)c1ccncc1 C1CC1[*:1] O=S(=O)(CC[*:1])NC[C@H](O)c1ccncc1
O=S(=O)(CCC1CC1)NC[C@H](O)c1ccncc1 C1CC1CC[*:1] O=S(=O)(NC[C@H](O)c1ccncc1)[*:1]
Cc1cc(C#CCO)ccc1O[C@H]1CCOC2(CCC2)C1 OCC#C[*:1] Cc1cc(ccc1O[C@H]1CCOC2(CCC2)C1)[*:1]
CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 CCOC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)[C@@H]1C[C@H]3CC[C@@H]1C3)c2[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 Fc1cccc(c1)[*:1] CC(=O)N[C@@H]1CCCN(C1)C(=O)c1ccn(n1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 CC(=O)N[*:1] O=C(c1ccn(n1)-c1cccc(F)c1)N1CCC[C@H](C1)[*:1]
CCc1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)cc1 CCc1ccc(cc1)C[*:1] CN(C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1)[*:1]
CCc1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)cc1 CCc1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1
CCc1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)cc1 C1CCC(CC1)C[*:1] CCc1ccc(cc1)CN(C)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
CCc1ccc(CN(C)C(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)cc1 C1CCC(CC1)[*:1] CCc1ccc(cc1)CN(C)C(=O)[C@@H]1CCC(=O)N(C1)C[*:1]
COc1ccc(C(=O)NCC[C@@H](C)c2ccccc2)nn1 c1ccc(cc1)[*:1] COc1ccc(nn1)C(=O)NCC[C@@H](C)[*:1]
N#Cc1ccc(-c2noc(-c3cc4c(OC(F)F)cccc4[nH]3)n2)nc1 FC(F)O[*:1] N#Cc1ccc(nc1)-c1noc(n1)-c1cc2c(cccc2[nH]1)[*:1]
N#Cc1ccc(-c2noc(-c3cc4c(OC(F)F)cccc4[nH]3)n2)nc1 FC(F)[*:1] N#Cc1ccc(nc1)-c1noc(n1)-c1cc2c(cccc2[nH]1)O[*:1]
N#Cc1ccc(-c2noc(-c3cc4c(OC(F)F)cccc4[nH]3)n2)nc1 N#Cc1ccc(nc1)[*:1] FC(F)Oc1cccc2[nH]c(cc12)-c1nc(no1)[*:1]
CCNC(=O)c1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1 Clc1cccc(Cl)c1[*:1] CCNC(=O)c1ccc(cc1)CNC(=O)C[*:1]
CCNC(=O)c1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1 CCNC(=O)[*:1] O=C(Cc1c(Cl)cccc1Cl)NCc1ccc(cc1)[*:1]
Cc1cccc(C(=O)NCC(=O)N[C@@H]2CCCc3ccc(F)cc32)c1 Cc1cccc(c1)[*:1] O=C(CNC(=O)[*:1])N[C@@H]1CCCc2ccc(F)cc21
CCSC1=C(C#N)[C@H](CC(C)C)C2=C(CCCC2=O)N1 CCS[*:1] CC(C)C[C@H]1C(C#N)=C(NC2CCCC(=O)C=21)[*:1]
CCSC1=C(C#N)[C@H](CC(C)C)C2=C(CCCC2=O)N1 CC(C)C[*:1] CCSC1NC2CCCC(=O)C=2[C@@H](C=1C#N)[*:1]
CCSC1=C(C#N)[C@H](CC(C)C)C2=C(CCCC2=O)N1 CC(C)[*:1] CCSC1NC2CCCC(=O)C=2[C@@H](C[*:1])C=1C#N
C[C@@H](c1ccc(F)c(F)c1)[S@](=O)CCCCC#N N#CCCC[*:1] C[C@@H](c1ccc(F)c(F)c1)[S@](=O)C[*:1]
C[C@@H](c1ccc(F)c(F)c1)[S@](=O)CCCCC#N N#CCC[*:1] C[C@@H](c1ccc(F)c(F)c1)[S@](=O)CC[*:1]
C[C@@H](c1ccc(F)c(F)c1)[S@](=O)CCCCC#N N#CC[*:1] C[C@@H](c1ccc(F)c(F)c1)[S@](=O)CCC[*:1]
C[C@@H](c1ccc(F)c(F)c1)[S@](=O)CCCCC#N N#CCCCC[*:1] C[C@@H](c1ccc(F)c(F)c1)[S@](=O)[*:1]
O=c1[nH]cccc1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=c1[nH]cccc1-c1cccc(c1)[*:1]
C[C@H](c1ccncn1)n1cnc(-c2ccccc2)c1-c1ccc2c(c1)OCCO2 c1cc(ncn1)[*:1] C[C@H](n1cnc(-c2ccccc2)c1-c1ccc2OCCOc2c1)[*:1]
C[C@H](c1ccncn1)n1cnc(-c2ccccc2)c1-c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@H](c1ccncn1)n1cnc(c1-c1ccc2OCCOc2c1)[*:1]
Cc1ccc(N2C(=O)/C(=C\c3ccc(C#N)cc3)NC2=S)cc1C Cc1ccc(cc1C)[*:1] N#Cc1ccc(/C=C2/NC(=S)N(C2=O)[*:1])cc1
Cc1ccc(N2C(=O)/C(=C\c3ccc(C#N)cc3)NC2=S)cc1C N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)N1C(=O)C(=C[*:1])NC1=S
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccnc(OC(C)(C)C)c2)C1 CC(C)(C)O[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1ccnc(c1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccnc(OC(C)(C)C)c2)C1 CC(C)(C)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1ccnc(c1)O[*:1]
CNC(=O)[C@@H]1C[NH2+]CCN1CCc1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@@H]1C[NH2+]CCN1CC[*:1]
CNC(=O)[C@@H]1C[NH2+]CCN1CCc1ccccc1 CNC(=O)[*:1] c1ccc(cc1)CCN1CC[NH2+]C[C@H]1[*:1]
Cc1cc(/C=C(\C#N)C(=O)NC(C2CC2)C2CC2)c(C)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1cc(/C=C(\C#N)C(=O)NC(C2CC2)C2CC2)c(C)n1[*:1]
Cc1cc(/C=C(\C#N)C(=O)NC(C2CC2)C2CC2)c(C)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1cc(/C=C(\C#N)C(=O)NC(C2CC2)C2CC2)c(C)n1C[*:1]
Cc1cc(/C=C(\C#N)C(=O)NC(C2CC2)C2CC2)c(C)n1C[C@@H]1CCCO1 C1CC1[*:1] Cc1cc(/C=C(\C#N)C(=O)NC(C2CC2)[*:1])c(C)n1C[C@@H]1CCCO1
Cc1cc(/C=C(\C#N)C(=O)NC(C2CC2)C2CC2)c(C)n1C[C@@H]1CCCO1 C1CC1C(C1CC1)[*:1] Cc1cc(/C=C(\C#N)C(=O)N[*:1])c(C)n1C[C@@H]1CCCO1
CCO[C@H](C)C(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 CCO[C@H](C)[*:1] C[C@H]1CN(C(=O)[*:1])c2cc(Cl)ccc2O1
CCO[C@H](C)C(=O)N1C[C@H](C)Oc2ccc(Cl)cc21 CCO[*:1] C[C@H]1CN(C(=O)[C@@H](C)[*:1])c2cc(Cl)ccc2O1
CC1(C)CC(=O)N(CCCCCCS)C1=O SCCC[*:1] CC1(C)CC(=O)N(CCC[*:1])C1=O
CC1(C)CC(=O)N(CCCCCCS)C1=O SCC[*:1] CC1(C)CC(=O)N(CCCC[*:1])C1=O
CC1(C)CC(=O)N(CCCCCCS)C1=O SCCCC[*:1] CC1(C)CC(=O)N(CC[*:1])C1=O
CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)N[C@@H]3CCCc4ccccc43)c3ccccc32)cc1 CCO[*:1] O=C(CN1C(=O)CN(C(=O)Nc2ccc(cc2)[*:1])c2ccccc21)N[C@@H]1CCCc2ccccc21
CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)N[C@@H]3CCCc4ccccc43)c3ccccc32)cc1 CCOc1ccc(cc1)[*:1] O=C(CN1C(=O)CN(C(=O)N[*:1])c2ccccc21)N[C@@H]1CCCc2ccccc21
COc1ccc(C(=O)O/N=C(/N)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)O/N=C(/N)Cc1ccc(Cl)cc1Cl
COc1ccc(C(=O)O/N=C(/N)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)O/N=C(/N)C[*:1]
COc1cc(Cl)c(C)cc1NC(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)NC[*:1]
COc1cc(Cl)c(C)cc1NC(=O)NCc1ncn(C)n1 Cn1cnc(C[*:1])n1 COc1cc(Cl)c(C)cc1NC(=O)N[*:1]
CNC(=O)C[C@H](C[NH3+])Nc1ccccc1Cl CNC(=O)[*:1] [NH3+]C[C@@H](C[*:1])Nc1ccccc1Cl
CNC(=O)C[C@H](C[NH3+])Nc1ccccc1Cl CNC(=O)C[*:1] [NH3+]C[C@H](Nc1ccccc1Cl)[*:1]
C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccc(F)c(F)c1 CS(=O)(=O)[*:1] C[C@H]([NH2+]CC(C)(C)[*:1])c1ccc(F)c(F)c1
COC(=O)[C@@H]1CN([C@@H]2CCCC[C@H]2C)CCC1=O COC(=O)[*:1] C[C@@H]1CCCC[C@H]1N1CCC(=O)[C@@H](C1)[*:1]
C[C@@H](C1CC1)N(C(=O)NCCCc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] C[C@@H](C1CC1)N(C(=O)NCC[*:1])C1CC1
C[C@@H](C1CC1)N(C(=O)NCCCc1ccccc1)C1CC1 c1ccc(cc1)[*:1] C[C@@H](C1CC1)N(C(=O)NCCC[*:1])C1CC1
C[C@@H](C1CC1)N(C(=O)NCCCc1ccccc1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)NCCCc1ccccc1)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)NCCCc1ccccc1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)NCCCc1ccccc1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)NCC(=O)N1CCO[C@H](C1)c1ccccc1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(=O)N1CCO[C@@H](C1)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)Nc1ccc(F)cc1
Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC1CCCCCC1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)NC1CCCCCC1)S(=O)(=O)N[*:1]
Cc1ncc2c(c1CNC(=O)[C@@H]1C=c3ccccc3=[NH+]1)CCN(C(=O)c1cc3c([nH]c1=O)CCCC3)C2 O=c1[nH]c2CCCCc2cc1[*:1] Cc1ncc2CN(CCc2c1CNC(=O)[C@@H]1C=c2ccccc2=[NH+]1)C(=O)[*:1]
C[C@H](CNC(=O)N[C@@H](CO)c1ccc(Cl)cc1)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@H](CNC(=O)N[C@@H](CO)c1ccc(Cl)cc1)[*:1]
C[C@H](CNC(=O)N[C@@H](CO)c1ccc(Cl)cc1)Oc1ccccc1F Fc1ccccc1[*:1] C[C@H](CNC(=O)N[C@@H](CO)c1ccc(Cl)cc1)O[*:1]
C[C@H](CNC(=O)N[C@@H](CO)c1ccc(Cl)cc1)Oc1ccccc1F Clc1ccc(cc1)[*:1] C[C@H](CNC(=O)N[C@@H](CO)[*:1])Oc1ccccc1F
CCCOc1ccc(C2=C[C@@H](C(=O)N/N=C/C3=c4ccccc4=[NH+]C3)NN2)cc1 CCCO[*:1] O=C(N/N=C/C1C[NH+]=c2ccccc2=1)[C@@H]1C=C(NN1)c1ccc(cc1)[*:1]
CCCOc1ccc(C2=C[C@@H](C(=O)N/N=C/C3=c4ccccc4=[NH+]C3)NN2)cc1 CCC[*:1] O=C(N/N=C/C1C[NH+]=c2ccccc2=1)[C@@H]1C=C(NN1)c1ccc(cc1)O[*:1]
CCOc1ccc(-n2c(SCC#N)nc3ccccc32)cc1 CCO[*:1] N#CCSc1nc2ccccc2n1-c1ccc(cc1)[*:1]
CCOc1ccc(-n2c(SCC#N)nc3ccccc32)cc1 N#CCS[*:1] CCOc1ccc(cc1)-n1c(nc2ccccc21)[*:1]
CCOc1ccc(-n2c(SCC#N)nc3ccccc32)cc1 N#CC[*:1] CCOc1ccc(cc1)-n1c(nc2ccccc21)S[*:1]
C[NH+]1CCN(CCCNC(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 O=C1CCCN1[*:1] C[NH+]1CCN(CCCNC(=O)Cc2ccc(cc2)[*:1])CC1
C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)c2C(N)=O)C1 NC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1)c2[*:1]
C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)c2C(N)=O)C1 O=S(=O)(N1CCOCC1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1ccc(Cl)c(c1)[*:1])c2C(N)=O
Cc1cnc(CCNC(=O)c2cc(C)n(-c3ccccc3)n2)s1 Cc1cnc(C[*:1])s1 Cc1cc(nn1-c1ccccc1)C(=O)NC[*:1]
Cc1cnc(CCNC(=O)c2cc(C)n(-c3ccccc3)n2)s1 Cc1cnc(s1)[*:1] Cc1cc(nn1-c1ccccc1)C(=O)NCC[*:1]
Cc1cnc(CCNC(=O)c2cc(C)n(-c3ccccc3)n2)s1 c1ccc(cc1)[*:1] Cc1cnc(CCNC(=O)c2cc(C)n(n2)[*:1])s1
Cc1ccc(C(=O)NNC(=O)C2CCC2)c(C)c1 C1CC(C1)[*:1] Cc1ccc(C(=O)NNC(=O)[*:1])c(C)c1
O=C(COCCC[C@@H]1CCCC[NH2+]1)c1ccco1 c1coc(c1)[*:1] O=C(COCCC[C@@H]1CCCC[NH2+]1)[*:1]
C/C(=N\NC(=O)C1CCCCC1)c1ccc(C)s1 C1CCC(CC1)[*:1] C/C(=N\NC(=O)[*:1])c1ccc(C)s1
C/C(=N\NC(=O)C1CCCCC1)c1ccc(C)s1 Cc1ccc(s1)[*:1] CC(=NNC(=O)C1CCCCC1)[*:1]
COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)C(C)C)o2)cc1 CC(C)[C@H](C)[*:1] COc1ccc(cc1)-c1nnc(o1)SCC(=O)N[*:1]
COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)C(C)C)o2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nnc(o1)SCC(=O)N[C@@H](C)[*:1]
Cc1ccc(CN(C(=O)CSc2n[nH]c(=O)n2C)C2CC2)o1 Cc1ccc(C[*:1])o1 Cn1c(n[nH]c1=O)SCC(=O)N(C1CC1)[*:1]
Cc1ccc(CN(C(=O)CSc2n[nH]c(=O)n2C)C2CC2)o1 C1CC1[*:1] Cc1ccc(CN(C(=O)CSc2n[nH]c(=O)n2C)[*:1])o1
Cc1ccc(CN(C(=O)CSc2n[nH]c(=O)n2C)C2CC2)o1 Cc1ccc(o1)[*:1] Cn1c(n[nH]c1=O)SCC(=O)N(C[*:1])C1CC1
Cc1ccc(CN(C(=O)CSc2n[nH]c(=O)n2C)C2CC2)o1 Cn1c(n[nH]c1=O)[*:1] Cc1ccc(CN(C(=O)CS[*:1])C2CC2)o1
COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(OC)cc(OC)c1 COC(=O)[*:1] COc1cc(cc(c1)C(=O)Nc1cc(sc1[*:1])-c1ccccc1)OC
COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(OC)cc(OC)c1 c1ccc(cc1)[*:1] COC(=O)c1sc(cc1NC(=O)c1cc(cc(c1)OC)OC)[*:1]
COc1ccc(CN2CCN(c3ncccn3)CC2)cc1F c1cnc(nc1)[*:1] COc1ccc(cc1F)CN1CCN(CC1)[*:1]
COC(=O)C1=C(C)C(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C)=N[C@H]1C C1CC1[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)[C@@H](C)Sc1nnc(n1C)[*:1]
COC(=O)C1=C(C)C(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)[C@@H](C)Sc1nnc(C2CC2)n1C
O=C(N[C@@H](CO)c1ccccc1F)c1cnccn1 c1cnc(cn1)[*:1] O=C(N[C@@H](CO)c1ccccc1F)[*:1]
COc1cccc2c1OC[C@H](Cc1ccccc1S(N)(=O)=O)C2 NS(=O)(=O)[*:1] COc1cccc2C[C@H](COc21)Cc1ccccc1[*:1]
O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)N(C(=O)N1Cc1ccc(F)cc1)[*:1])Nc1ccccc1
O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1)Nc1ccccc1 Fc1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)N(C(=O)N1C[*:1])c1ccccc1)Nc1ccccc1
O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C1[C@@H](C[*:1])N(Cc2ccc(F)cc2)C(=O)N1c1ccccc1
O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1)Nc1ccccc1 Fc1ccc(cc1)C[*:1] O=C(C[C@@H]1C(=O)N(C(=O)N1[*:1])c1ccccc1)Nc1ccccc1
O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)N(C(=O)N1Cc1ccc(F)cc1)c1ccccc1)N[*:1]
O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=C1[C@H](N(Cc2ccc(F)cc2)C(=O)N1c1ccccc1)[*:1]
COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC Cc1cc(Cl)ccc1[*:1] COc1ccc(cc1OC)N(CC(=O)N[*:1])S(C)(=O)=O
C[C@H]1CCc2c(sc3ncn(CC(=O)OCCOc4ccccc4)c(=O)c23)C1 c1ccc(cc1)O[*:1] C[C@H]1CCc2c(C1)sc1ncn(CC(=O)OCC[*:1])c(=O)c21
C[C@H]1CCc2c(sc3ncn(CC(=O)OCCOc4ccccc4)c(=O)c23)C1 c1ccc(cc1)OC[*:1] C[C@H]1CCc2c(C1)sc1ncn(CC(=O)OC[*:1])c(=O)c21
C[C@H]1CCc2c(sc3ncn(CC(=O)OCCOc4ccccc4)c(=O)c23)C1 c1ccc(cc1)OCC[*:1] C[C@H]1CCc2c(C1)sc1ncn(CC(=O)O[*:1])c(=O)c21
C[C@H]1CCc2c(sc3ncn(CC(=O)OCCOc4ccccc4)c(=O)c23)C1 c1ccc(cc1)[*:1] C[C@H]1CCc2c(C1)sc1ncn(CC(=O)OCCO[*:1])c(=O)c21
COc1ccccc1NC(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)CC[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 COc1ccccc1[*:1] O=C(CCC1CCCC1)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 C1CCC(C1)CC[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)[*:1]
COc1ccccc1NC(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 C1CCC(C1)C[*:1] COc1ccccc1NC(=O)c1ccc(cc1)NC(=O)C[*:1]
CCCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 Clc1cccc(c1)[*:1] CCCCNC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
CCCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 CCCC[*:1] O=C(Nc1sc2CCCCc2c1C(=O)N[*:1])c1cccc(Cl)c1
CCCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 CCC[*:1] O=C(Nc1sc2CCCCc2c1C(=O)NC[*:1])c1cccc(Cl)c1
CCCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 CCCCNC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])c1cccc(Cl)c1
O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 C1CCC(CC1)[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F
O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(NCC1CCCCC1)C1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 C1CCC(CC1)C[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F
C=CCOc1ccc(C2=NO[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 C=CC[*:1] O=C(Nc1ccc2OCCOc2c1)[C@@H]1CC(=NO1)c1ccc(cc1)O[*:1]
C=CCOc1ccc(C2=NO[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 C=CCO[*:1] O=C(Nc1ccc2OCCOc2c1)[C@@H]1CC(=NO1)c1ccc(cc1)[*:1]
CCCN(Cc1ccsc1)C(=O)c1ccc2nsnc2c1 c1cc(cs1)C[*:1] CCCN(C(=O)c1ccc2nsnc2c1)[*:1]
CCCN(Cc1ccsc1)C(=O)c1ccc2nsnc2c1 c1cc(cs1)[*:1] CCCN(C[*:1])C(=O)c1ccc2nsnc2c1
CCCN(Cc1ccsc1)C(=O)c1ccc2nsnc2c1 CCC[*:1] O=C(c1ccc2nsnc2c1)N(Cc1ccsc1)[*:1]
CC(C)CC(=O)NC(C)(C)c1ccc(Br)cc1 CC(C)C[*:1] CC(C)(NC(=O)[*:1])c1ccc(Br)cc1
CC(C)CC(=O)NC(C)(C)c1ccc(Br)cc1 CC(C)[*:1] CC(C)(NC(=O)C[*:1])c1ccc(Br)cc1
Cc1nnc([C@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)s1 O=c1ccc(c[nH]1)[*:1] Cc1nnc(s1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1nnc([C@H]2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)s1 Cc1nnc(s1)[*:1] O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](C1)[*:1]
O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1S/C(=C\c2cccc(c2)[N+](=O)[O-])C(=O)N1[*:1]
O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 O=[N+]([O-])[*:1] O=C1S/C(=C\c2cccc(c2)[*:1])C(=O)N1c1cccc(Cl)c1
CC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2cnc3sccc3c2=O)cs1 Cc1ccc(cc1C)[*:1] CC(=O)N(c1nc(cs1)Cn1cnc2sccc2c1=O)[*:1]
CC(C)c1c(C(=O)[O-])cnn1CCC#N O=C([O-])[*:1] CC(C)c1c(cnn1CCC#N)[*:1]
CC(C)c1c(C(=O)[O-])cnn1CCC#N N#CC[*:1] CC(C)c1c(cnn1C[*:1])C(=O)[O-]
CC(C)c1c(C(=O)[O-])cnn1CCC#N N#CCC[*:1] CC(C)c1c(cnn1[*:1])C(=O)[O-]
CC(C)c1c(C(=O)[O-])cnn1CCC#N CC(C)[*:1] N#CCCn1ncc(C(=O)[O-])c1[*:1]
Cc1cccc(Oc2ccccc2NC(=O)[C@H]2CCO[C@H]2C)c1 Cc1cccc(c1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1O[*:1]
CCC1(CNC(=O)c2c(O)cccc2O)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])c1c(O)cccc1O
COc1nccc(N[C@H]2CC(=O)N(CC(C)(C)C)C2)c1C#N CC(C)(C)[*:1] COc1nccc(N[C@H]2CC(=O)N(C2)C[*:1])c1C#N
COc1nccc(N[C@H]2CC(=O)N(CC(C)(C)C)C2)c1C#N CC(C)(C)C[*:1] COc1nccc(N[C@H]2CC(=O)N(C2)[*:1])c1C#N
C[C@H]1CCCN(C(=O)c2cn(C)nc2C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CCCN(C1)C(=O)c1cn(C)nc1[*:1]
COc1ccc(CC(=O)N2CC[C@H](c3nc(C)ncc3-c3ccccn3)C2)cc1OC c1ccc(nc1)[*:1] COc1ccc(cc1OC)CC(=O)N1CC[C@@H](C1)c1nc(C)ncc1[*:1]
COc1ccc(CC(=O)N2CC[C@H](c3nc(C)ncc3-c3ccccn3)C2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ncc(-c2ccccn2)c(n1)[C@H]1CCN(C1)C(=O)C[*:1]
Cc1cc(C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2C)c(C)n1C[C@@H]1CCCO1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CSc2nc3scc(c3c(=O)n2C)[*:1])c(C)n1C[C@@H]1CCCO1
CC(C)C[C@H](O)CNC(=O)Nc1ccc(-c2csnn2)cc1 CC(C)[*:1] O=C(NC[C@@H](O)C[*:1])Nc1ccc(cc1)-c1csnn1
CC(C)C[C@H](O)CNC(=O)Nc1ccc(-c2csnn2)cc1 CC(C)C[*:1] O=C(NC[C@@H](O)[*:1])Nc1ccc(cc1)-c1csnn1
CC(C)C[C@H](O)CNC(=O)Nc1ccc(-c2csnn2)cc1 CC(C)C[C@H](O)[*:1] O=C(NC[*:1])Nc1ccc(cc1)-c1csnn1
CC(C)C[C@H](O)CNC(=O)Nc1ccc(-c2csnn2)cc1 c1snnc1[*:1] CC(C)C[C@H](O)CNC(=O)Nc1ccc(cc1)[*:1]
CC(C)C[C@H](O)CNC(=O)Nc1ccc(-c2csnn2)cc1 CC(C)C[C@H](O)C[*:1] O=C(Nc1ccc(cc1)-c1csnn1)N[*:1]
NC(=O)CCC(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 NC(=O)CC[*:1] O=C(N1CCCC(C1)(c1ccccc1)c1ccccc1)[*:1]
NC(=O)CCC(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)CCC(=O)N1CCCC(C1)(c1ccccc1)[*:1]
NC(=O)CCC(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 NC(=O)[*:1] O=C(CC[*:1])N1CCCC(C1)(c1ccccc1)c1ccccc1
NC(=O)CCC(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 NC(=O)C[*:1] O=C(C[*:1])N1CCCC(C1)(c1ccccc1)c1ccccc1
CC(C)C[C@@H]1COCCN1CCS(=O)(=O)c1ccc(C#N)cc1 CC(C)C[*:1] N#Cc1ccc(cc1)S(=O)(=O)CCN1CCOC[C@H]1[*:1]
CC(C)C[C@@H]1COCCN1CCS(=O)(=O)c1ccc(C#N)cc1 CC(C)[*:1] N#Cc1ccc(cc1)S(=O)(=O)CCN1CCOC[C@H]1C[*:1]
Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NC[C@H]2CCCCO2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)NC[C@H]2CCCCO2)n(n1)[*:1]
Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc1 Cc1ccc(cc1)C[*:1] C[C@H]1CSc2ccc(cc2NC1=O)S(=O)(=O)N[*:1]
Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CSc2ccc(cc2NC1=O)S(=O)(=O)NC[*:1]
C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)N[*:1]
C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N)[*:1]
C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N)c1ccccc1 c1csc(c1)[*:1] C[C@H](NC(=O)[C@@H](C)Sc1nnc(n1N)[*:1])c1ccccc1
CC(C)(C)N(CC(=O)[O-])C(=O)NCCc1c[nH+]c[nH]1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)NCCc1c[nH+]c[nH]1
CC(C)(C)N(CC(=O)[O-])C(=O)NCCc1c[nH+]c[nH]1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)NCCc1c[nH+]c[nH]1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)NCCc1c[nH+]c[nH]1 CC(C)(C)[*:1] O=C([O-])CN(C(=O)NCCc1c[nH+]c[nH]1)[*:1]
COc1cc(C)c(C[NH2+]Cc2cccc(C)c2)cc1OC Cc1cccc(c1)[*:1] COc1cc(C)c(cc1OC)C[NH2+]C[*:1]
CC(C)CCNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 CC(C)CCNC(=O)[*:1] O=C(c1ccccc1Cl)N1C[C@H](c2ccccc2)[C@@H](C1)[*:1]
CC(C)CCNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 CC(C)CC[*:1] O=C(N[*:1])[C@@H]1CN(C[C@@H]1c1ccccc1)C(=O)c1ccccc1Cl
CC(C)CCNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 CC(C)[*:1] O=C(NCC[*:1])[C@@H]1CN(C[C@@H]1c1ccccc1)C(=O)c1ccccc1Cl
CC(C)CCNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 Clc1ccccc1[*:1] CC(C)CCNC(=O)[C@@H]1CN(C[C@@H]1c1ccccc1)C(=O)[*:1]
CC(C)CCNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)CCNC(=O)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccccc1Cl
CC(C)CCNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 CC(C)C[*:1] O=C(NC[*:1])[C@@H]1CN(C[C@@H]1c1ccccc1)C(=O)c1ccccc1Cl
CC(=O)NCCNc1cc(C)c2ccc(Cl)cc2n1 CC(=O)NCC[*:1] Cc1cc(nc2cc(Cl)ccc12)N[*:1]
CC(=O)NCCNc1cc(C)c2ccc(Cl)cc2n1 CC(=O)NC[*:1] Cc1cc(nc2cc(Cl)ccc12)NC[*:1]
CC(=O)NCCNc1cc(C)c2ccc(Cl)cc2n1 CC(=O)N[*:1] Cc1cc(nc2cc(Cl)ccc12)NCC[*:1]
COc1ccc(NC(C)=O)c(NCc2noc(-c3ccsc3)n2)c1 c1cc(cs1)[*:1] COc1ccc(NC(C)=O)c(c1)NCc1noc(n1)[*:1]
COc1ccc(NC(C)=O)c(NCc2noc(-c3ccsc3)n2)c1 CC(=O)N[*:1] COc1ccc(c(c1)NCc1noc(n1)-c1ccsc1)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(C(C)=O)c(C)c1 CC(=O)[*:1] CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(c(C)c1)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(C(C)=O)c(C)c1 CC[C@@H](C)NC(=O)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[C@@H](C)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(C(C)=O)c(C)c1 CC[C@@H](C)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[C@@H](C)C(=O)N[*:1]
CSc1ccccc1NC(=O)[C@H]1CCc2sc(NC(=O)c3ccccc3)nc21 O=C(N[*:1])c1ccccc1 CSc1ccccc1NC(=O)[C@H]1CCc2sc(nc21)[*:1]
CSc1ccccc1NC(=O)[C@H]1CCc2sc(NC(=O)c3ccccc3)nc21 c1ccc(cc1)[*:1] CSc1ccccc1NC(=O)[C@H]1CCc2sc(nc21)NC(=O)[*:1]
CSc1ccccc1NC(=O)[C@H]1CCc2sc(NC(=O)c3ccccc3)nc21 CSc1ccccc1[*:1] O=C(Nc1nc2c(CC[C@@H]2C(=O)N[*:1])s1)c1ccccc1
CS(=O)(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2CCOc3ccccc32)C1 CS(=O)(=O)[*:1] c1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CCC[C@@H](C1)[*:1]
Cc1[nH+]ccn1CCCCNC(=O)/C=C/c1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] Cc1[nH+]ccn1CCCCNC(=O)C=C[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O CC(C)[*:1] C[C@@](C#N)(NC(=O)CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)[C@H](c2ccccc2)N(C1=O)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)[C@H](N(Cc2ccccc2)C1=O)[*:1]
CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)[C@H](c2ccccc2)N(C[*:1])C1=O
Cc1nc([C@H]2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)no1 Cc1nc(no1)[*:1] O=C1NCCN1c1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
Cc1nc([C@H]2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)no1 O=C1NCCN1[*:1] Cc1nc(no1)[C@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1)c1cccc(N2C(=O)CCS2(=O)=O)c1 c1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)N1C(=O)CCS1(=O)=O
CCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 CCc1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[*:1]
CCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)C(=O)NC[C@@H]([NH+]1CCCCC1)[*:1]
O=C(C[C@@H]1CCCO1)NCCc1ccc2c(c1)CCO2 C1CO[C@@H](C1)[*:1] O=C(C[*:1])NCCc1ccc2OCCc2c1
O=C(C[C@@H]1CCCO1)NCCc1ccc2c(c1)CCO2 C1CO[C@@H](C1)C[*:1] O=C(NCCc1ccc2OCCc2c1)[*:1]
CC[C@@H](NC(=O)c1ccc2ncccc2c1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H](NC(=O)c1ccc2ncccc2c1)[*:1]
CC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2[*:1]
CC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 O=C(O[*:1])c1ccco1 CC(=O)c1sc2c(c1[*:1])c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1
CC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(c(=S)n2-c1ccccc1)[*:1]
CC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 CC(=O)[*:1] O=C(Oc1c(sc2c1c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1)[*:1])c1ccco1
CC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 c1coc(c1)[*:1] CC(=O)c1sc2c(c1OC(=O)[*:1])c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1
O=C(NCc1ccncc1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O c1cc(ccn1)C[*:1] O=C(N[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1-c1ccccc1
O=C(NCc1ccncc1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O O=C(NCc1ccncc1)[*:1] O=C1c2ccc(cc2C(=O)N1c1ccccc1-c1ccccc1)[*:1]
O=C(NCc1ccncc1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O c1cc(ccn1)[*:1] O=C(NC[*:1])c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1-c1ccccc1
O=C(NCc1ccncc1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O c1ccc(cc1)[*:1] O=C(NCc1ccncc1)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1[*:1]
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2ccc(O)cc2C1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(=O)[*:1])C(=O)N1CCc2ccc(O)cc2C1
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2ccc(O)cc2C1 CC[C@H](C)[*:1] O=C(N[C@H](C(=O)N1CCc2ccc(O)cc2C1)[*:1])c1ccccc1
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2ccc(O)cc2C1 O=C(N[*:1])c1ccccc1 CC[C@H](C)[C@H](C(=O)N1CCc2ccc(O)cc2C1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 CN(C)S(=O)(=O)[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 c1ccc(nc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N[C@H](c1ccccc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N[C@H](c1ccccn1)[*:1]
CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H](Cc2nc(C)cs2)C1 Cc1csc(n1)[*:1] CCC[C@@H]1CC[C@H]([NH2+]CC)[C@@H](C1)C[*:1]
CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H](Cc2nc(C)cs2)C1 CCC[*:1] CC[NH2+][C@H]1CC[C@H](C[C@H]1Cc1nc(C)cs1)[*:1]
CCCCn1c(CN2CCOc3ccc(Cl)cc3C2)cnc1S(=O)(=O)CC CCS(=O)(=O)[*:1] CCCCn1c(cnc1[*:1])CN1CCOc2ccc(Cl)cc2C1
CCCCn1c(CN2CCOc3ccc(Cl)cc3C2)cnc1S(=O)(=O)CC CCC[*:1] CCS(=O)(=O)c1ncc(CN2CCOc3ccc(Cl)cc3C2)n1C[*:1]
CCCCn1c(CN2CCOc3ccc(Cl)cc3C2)cnc1S(=O)(=O)CC CCCC[*:1] CCS(=O)(=O)c1ncc(CN2CCOc3ccc(Cl)cc3C2)n1[*:1]
C[C@H](CS[C@H]1CCOC2(CCCCC2)C1)C(=O)[O-] O=C([O-])[*:1] C[C@H](CS[C@H]1CCOC2(CCCCC2)C1)[*:1]
C[C@H](CS[C@H]1CCOC2(CCCCC2)C1)C(=O)[O-] C[C@H](C(=O)[O-])[*:1] C1CCC2(CC1)C[C@H](CCO2)SC[*:1]
O=C1CN(C(=O)C2CCN(c3ccc(Cl)nn3)CC2)c2ccccc2N1 Clc1ccc(nn1)[*:1] O=C1CN(C(=O)C2CCN(CC2)[*:1])c2ccccc2N1
C[C@H](N/C=C1/C(=O)NC(=O)c2ccccc21)[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] C[C@H](N/C=C1/C(=O)NC(=O)c2ccccc21)[*:1]
C[C@H](N/C=C1/C(=O)NC(=O)c2ccccc21)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](N/C=C1/C(=O)NC(=O)c2ccccc21)[C@@H](C)[*:1]
COC(=O)c1cncc(Oc2ccc(C)cc2N)n1 COC(=O)[*:1] Cc1ccc(Oc2cncc(n2)[*:1])c(N)c1
CON(C)C(=O)c1c(C)nn(Cc2ccccc2)c1Cl CON(C)C(=O)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1[*:1]
CON(C)C(=O)c1c(C)nn(Cc2ccccc2)c1Cl c1ccc(cc1)[*:1] CON(C)C(=O)c1c(C)nn(C[*:1])c1Cl
CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2CCCCO2)C1 c1csc(c1)[*:1] CC(C)NC(=O)[C@@]1(CCN(C1)C(=O)[C@H]1CCCCO1)Cc1ccccc1[*:1]
CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2CCCCO2)C1 CC(C)[*:1] O=C([C@H]1CCCCO1)N1CC[C@](Cc2ccccc2-c2cccs2)(C1)C(=O)N[*:1]
CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2CCCCO2)C1 CC(C)NC(=O)[*:1] O=C([C@H]1CCCCO1)N1CC[C@@](Cc2ccccc2-c2cccs2)(C1)[*:1]
CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2CCCCO2)C1 C1CC[C@@H](OC1)[*:1] CC(C)NC(=O)[C@@]1(CCN(C1)C(=O)[*:1])Cc1ccccc1-c1cccs1
COc1cc(/C=N/O)ccc1COc1ccc(NC(C)=O)cc1 ON=C[*:1] COc1cc(ccc1COc1ccc(cc1)NC(C)=O)[*:1]
COc1cc(/C=N/O)ccc1COc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] COc1cc(/C=N/O)ccc1COc1ccc(cc1)[*:1]
CCOC(=O)[C@]1(NC)CC[C@@H](Sc2cc(C)ccc2C)C1 CCOC(=O)[*:1] CN[C@@]1(CC[C@H](C1)Sc1cc(C)ccc1C)[*:1]
COc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)/C=C/c1cnn(c1)[*:1]
O=C(NCc1nnc2ccccn12)Nc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(NCc1nnc2ccccn12)Nc1cc(on1)[*:1]
CC(C)c1nnc(NC(=O)CCc2nc(-c3ccsc3)no2)s1 c1cc(cs1)[*:1] CC(C)c1nnc(NC(=O)CCc2nc(no2)[*:1])s1
CC(C)c1nnc(NC(=O)CCc2nc(-c3ccsc3)no2)s1 CC(C)[*:1] O=C(CCc1nc(no1)-c1ccsc1)Nc1nnc(s1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)CN1C(=O)CNC1=O
CCN(Cc1cccc(C)c1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 O=C1CNC(=O)N1C[*:1] CCN(Cc1cccc(C)c1)C(=O)c1ccc(cc1)[*:1]
CCN(Cc1cccc(C)c1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 O=C1CNC(=O)N1[*:1] CCN(Cc1cccc(C)c1)C(=O)c1ccc(cc1)C[*:1]
CCN(Cc1cccc(C)c1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 Cc1cccc(c1)C[*:1] CCN(C(=O)c1ccc(cc1)CN1C(=O)CNC1=O)[*:1]
O=C1N=C2NC3=C(C(=O)CCC3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1 Brc1cccc(c1)[*:1] O=C1N=C2NC3CCCC(=O)C=3[C@@H]([C@H]2C(=O)N1)[*:1]
C#CC[C@@H](OC(=O)[C@@H](C)c1c(C)noc1C)C1CC1 C1CC1[*:1] C#CC[C@@H](OC(=O)[C@@H](C)c1c(C)noc1C)[*:1]
C#CC[C@@H](OC(=O)[C@@H](C)c1c(C)noc1C)C1CC1 C#CC[*:1] Cc1noc(C)c1[C@H](C)C(=O)O[C@@H](C1CC1)[*:1]
COc1ccc(Cl)c(NC(=O)C(=O)NC[C@H](O)c2ccccc2F)c1 Fc1ccccc1[*:1] COc1ccc(Cl)c(c1)NC(=O)C(=O)NC[C@H](O)[*:1]
CC(C)(C)c1n[nH]cc1CN1CCO[C@H](C#N)C1 CC(C)(C)[*:1] N#C[C@@H]1CN(CCO1)Cc1c[nH]nc1[*:1]
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc(n[nH]1)[*:1]
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1 Clc1ccc(cc1)[*:1] O=C(NNS(=O)(=O)[*:1])c1cc(n[nH]1)-c1ccccc1
O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C(c1cc([nH]n1)-c1ccc(F)cc1)N1CCC(CC1)[*:1]
O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cc([nH]n1)-c1ccc(F)cc1)N1CCC(CC1)OC[*:1]
O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cc([nH]n1)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(c1cc([nH]n1)-c1ccc(F)cc1)N1CCC(CC1)O[*:1]
Cc1nn(C)c(C)c1NC(=O)[C@H]1C[C@@H]1C C[C@H]1C[C@@H]1[*:1] Cc1nn(C)c(C)c1NC(=O)[*:1]
C[C@@H](Sc1nc2c(cc1C#N)CCC2)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Sc1nc2CCCc2cc1C#N)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(OC(C)(C)C)cc2)CC1 CC(C)(C)O[*:1] CCC(CC)C(=O)N1CCC(CC1)NC(=O)c1ccc(cc1)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(OC(C)(C)C)cc2)CC1 CCC(CC)[*:1] CC(C)(C)Oc1ccc(cc1)C(=O)NC1CCN(CC1)C(=O)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(OC(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CCC(CC)C(=O)N1CCC(CC1)NC(=O)c1ccc(cc1)O[*:1]
c1ccc(OCCn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)cc1 c1ccc(cc1)[*:1] c1cn(CCO[*:1])c(n1)-c1cc2C[NH2+]CCCn2n1
c1ccc(OCCn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)cc1 c1ccc(cc1)OC[*:1] c1cn(C[*:1])c(n1)-c1cc2C[NH2+]CCCn2n1
c1ccc(OCCn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)cc1 c1ccc(cc1)O[*:1] c1cn(CC[*:1])c(n1)-c1cc2C[NH2+]CCCn2n1
C[C@H](O)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCO C[C@H](O)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N[*:1])n2CCO
C[C@H](O)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCO C[C@H](O)CN[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2CCO)[*:1]
C[C@H](O)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCO OCC[*:1] C[C@H](O)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
C[C@H](O)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCO C[C@H](O)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(NC[*:1])n2CCO
O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CCC1 O=C(N[*:1])C1CCC1 O=S(=O)(Nc1cccc(c1)C(F)(F)F)c1ccc(cc1)[*:1]
O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CCC1 C1CC(C1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CCC1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[*:1])C1CCC1
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C)o2)cc1 COc1ccc(cc1)C(=O)[*:1] Cc1ccc(o1)[C@@H]1C(=C([O-])C(=O)N1Cc1ccccc1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C)o2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(C)o1
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C)o2)cc1 Cc1ccc(o1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C)o2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(o1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccccc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C)o2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(C)o1)[*:1]
C[C@H]1CCC[C@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 C[C@H]1CCC[C@@H]1[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)c1ncon1)N[*:1]
C[C@H]1CCC[C@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] C[C@H]1CCC[C@H]1NC(=O)N[C@@H](c1ncon1)[*:1]
C[C@H]1CCC[C@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] C[C@H]1CCC[C@H]1NC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 C1CO[C@H](C1)CN[*:1] Cc1nc2sc3c(ncnc3c2c2CC(C)(C)OCc12)[*:1]
Cc1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 C1CO[C@H](C1)[*:1] Cc1nc2sc3c(ncnc3c2c2CC(C)(C)OCc12)NC[*:1]
Cc1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 C1CO[C@H](C1)C[*:1] Cc1nc2sc3c(ncnc3c2c2CC(C)(C)OCc12)N[*:1]
CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1 C1CC(C1)O[*:1] CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1 C1CC(C1)[*:1] CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1ccc(O[*:1])c(F)c1
Cc1ccc2nc([C@@H]3CCCN3C(=O)CCc3ccsc3)[nH]c2c1 c1cc(cs1)C[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)C[*:1]
Cc1ccc2nc([C@@H]3CCCN3C(=O)CCc3ccsc3)[nH]c2c1 c1cc(cs1)CC[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[*:1]
Cc1ccc2nc([C@@H]3CCCN3C(=O)CCc3ccsc3)[nH]c2c1 c1cc(cs1)[*:1] Cc1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)CC[*:1]
C=CCN(CC=C)C(=O)Cn1cc(Cl)c(=O)[nH]c1=O C=CC[*:1] C=CCN(C(=O)Cn1cc(Cl)c(=O)[nH]c1=O)[*:1]
C[NH2+][C@H](Cc1ccncc1)[C@@H]1CCOC2(CCSCC2)C1 c1cc(ccn1)[*:1] C[NH2+][C@H](C[*:1])[C@@H]1CCOC2(CCSCC2)C1
C[NH2+][C@H](Cc1ccncc1)[C@@H]1CCOC2(CCSCC2)C1 c1cc(ccn1)C[*:1] C[NH2+][C@H]([C@@H]1CCOC2(CCSCC2)C1)[*:1]
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccc2c1OC(F)(F)O2 CCNC(=O)[*:1] [NH3+][C@@H]1C[C@H](N(Cc2cccc3OC(F)(F)Oc23)C1)[*:1]
O=C(N[C@H]1CCC[C@@H](C2CC2)C1)[C@@H]1CCCN1C(=O)c1ccccn1 c1ccc(nc1)[*:1] O=C(N[C@H]1CCC[C@H](C1)C1CC1)[C@@H]1CCCN1C(=O)[*:1]
O=C(N[C@H]1CCC[C@@H](C2CC2)C1)[C@@H]1CCCN1C(=O)c1ccccn1 C1CC1[*:1] O=C(N[C@H]1CCC[C@@H](C1)[*:1])[C@@H]1CCCN1C(=O)c1ccccn1
CCCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 O=[N+]([O-])[*:1] CCCCN(C)c1ccc(c(c1)C(=O)[O-])[*:1]
CCCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 CCCC[*:1] CN(c1ccc(c(c1)C(=O)[O-])[N+](=O)[O-])[*:1]
CCCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 CCC[*:1] CN(C[*:1])c1ccc(c(c1)C(=O)[O-])[N+](=O)[O-]
CCCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 CCCCN(C)[*:1] O=C([O-])c1cc(ccc1[N+](=O)[O-])[*:1]
CCCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 O=C([O-])[*:1] CCCCN(C)c1ccc(c(c1)[*:1])[N+](=O)[O-]
N#Cc1ccc(CNCC(=O)NCCc2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)CNCC(=O)NCC[*:1]
N#Cc1ccc(CNCC(=O)NCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] N#Cc1ccc(cc1)CNCC(=O)NC[*:1]
COCc1nn2c(c1-c1cccc(Cl)c1)NC(=O)[C@@H]2CC(=O)Nc1ccc2c(c1)OCO2 Clc1cccc(c1)[*:1] COCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2ccc3OCOc3c2)c1[*:1]
COCc1nn2c(c1-c1cccc(Cl)c1)NC(=O)[C@@H]2CC(=O)Nc1ccc2c(c1)OCO2 COC[*:1] O=C(C[C@H]1C(=O)Nc2c(-c3cccc(Cl)c3)c(nn21)[*:1])Nc1ccc2OCOc2c1
COCc1nn2c(c1-c1cccc(Cl)c1)NC(=O)[C@@H]2CC(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] COCc1nn2c(NC(=O)[C@@H]2CC(=O)N[*:1])c1-c1cccc(Cl)c1
O=C(NCCCNc1ccccc1)NC[C@@H]1Cc2ccccc2O1 c1ccc(cc1)NC[*:1] O=C(NCC[*:1])NC[C@@H]1Cc2ccccc2O1
O=C(NCCCNc1ccccc1)NC[C@@H]1Cc2ccccc2O1 c1ccc(cc1)[*:1] O=C(NCCCN[*:1])NC[C@@H]1Cc2ccccc2O1
O=C(NCCCNc1ccccc1)NC[C@@H]1Cc2ccccc2O1 c1ccc(cc1)N[*:1] O=C(NCCC[*:1])NC[C@@H]1Cc2ccccc2O1
COc1ccc(-n2ccc(C(=O)N[C@H]3CCCn4c(C)nnc43)n2)cc1 COc1ccc(cc1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)c1ccn(n1)[*:1]
COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@@H](C#N)C2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc2cc(CN3CCC[C@@H](C#N)C3)c(nc2c1)[*:1]
O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1c[nH]c2ccc(F)cc12 c1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC=C[*:1])CC1)c1c[nH]c2ccc(F)cc12
O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1c[nH]c2ccc(F)cc12 C(=C/c1ccccc1)\C[*:1] O=C(CN1CC[NH+](CC1)[*:1])c1c[nH]c2ccc(F)cc12
O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1c[nH]c2ccc(F)cc12 C(=C[*:1])c1ccccc1 O=C(CN1CC[NH+](CC1)C[*:1])c1c[nH]c2ccc(F)cc12
Cc1ncsc1CN(C1CC1)[C@H](C)CS(C)(=O)=O Cc1ncsc1[*:1] C[C@H](CS(C)(=O)=O)N(C[*:1])C1CC1
Cc1ncsc1CN(C1CC1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] Cc1ncsc1CN(C1CC1)[C@H](C)C[*:1]
Cc1ncsc1CN(C1CC1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1ncsc1CN(C1CC1)[C@H](C)[*:1]
Cc1ncsc1CN(C1CC1)[C@H](C)CS(C)(=O)=O C1CC1[*:1] Cc1ncsc1CN([C@H](C)CS(C)(=O)=O)[*:1]
O[C@@H](CSc1nnc(NC2CC2)s1)c1ccccc1Cl C1CC1N[*:1] O[C@@H](CSc1nnc(s1)[*:1])c1ccccc1Cl
O[C@@H](CSc1nnc(NC2CC2)s1)c1ccccc1Cl C1CC1[*:1] O[C@@H](CSc1nnc(N[*:1])s1)c1ccccc1Cl
Cc1cccc(Cl)c1NC(=O)c1nn(-c2ccccc2)c(C)cc1=O c1ccc(cc1)[*:1] Cc1cccc(Cl)c1NC(=O)c1nn(c(C)cc1=O)[*:1]
Cc1cccc(Cl)c1NC(=O)c1nn(-c2ccccc2)c(C)cc1=O Cc1cccc(Cl)c1[*:1] Cc1cc(=O)c(nn1-c1ccccc1)C(=O)N[*:1]
CCc1nsc(Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)n1 CCc1nsc(n1)[*:1] O=C(Nc1ccc(cc1)N[*:1])[C@H]1CCCO1
CCc1nsc(Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)n1 C1CO[C@H](C1)[*:1] CCc1nsc(n1)Nc1ccc(cc1)NC(=O)[*:1]
C[C@H]1CCN(C(=O)[C@@H](C)OCC2CC2)C[C@@H]1O C1CC1CO[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)[C@@H](C)[*:1]
C[C@H]1CCN(C(=O)[C@@H](C)OCC2CC2)C[C@@H]1O C1CC1[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)[C@@H](C)OC[*:1]
C[C@H]1CCN(C(=O)[C@@H](C)OCC2CC2)C[C@@H]1O C1CC1C[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)[C@@H](C)O[*:1]
O=C(NC1(c2nc(-c3cnccn3)no2)CCCCC1)c1cc2cc(Cl)ccc2[nH]1 Clc1ccc2[nH]c(cc2c1)[*:1] O=C(NC1(CCCCC1)c1nc(no1)-c1cnccn1)[*:1]
O=C(NC1(c2nc(-c3cnccn3)no2)CCCCC1)c1cc2cc(Cl)ccc2[nH]1 c1cnc(cn1)[*:1] O=C(NC1(CCCCC1)c1nc(no1)[*:1])c1cc2cc(Cl)ccc2[nH]1
COCC(=O)N1CC[C@H](Cc2cnc3ccccc3c2)C1 COC[*:1] O=C(N1CC[C@H](Cc2cnc3ccccc3c2)C1)[*:1]
CCC[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2cc(C)nn2C)C1 NC(=O)[*:1] CCC[NH2+][C@@]1(CCC[C@@H](C1)Sc1cc(C)nn1C)[*:1]
CCC[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2cc(C)nn2C)C1 CCC[*:1] Cc1cc(S[C@H]2CCC[C@](C2)([NH2+][*:1])C(N)=O)n(C)n1
CCC[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2cc(C)nn2C)C1 Cc1cc(n(C)n1)[*:1] CCC[NH2+][C@@]1(CCC[C@@H](C1)S[*:1])C(N)=O
N#Cc1c(F)cccc1N(CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] N#Cc1c(F)cccc1N(CC1CC[NH2+]CC1)[*:1]
C[C@H](O)CC(C)(C)CNC(=O)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] C[C@H](O)CC(C)(C)CNC(=O)c1cccc(c1)[*:1]
C=CCn1cc(CN2CC=C(n3c(=O)[nH]c4ccccc43)CC2)c(C)n1 C=CC[*:1] Cc1nn(cc1CN1CC=C(CC1)n1c(=O)[nH]c2ccccc21)[*:1]
O=C1CCCN1c1ccc(C(=O)N2CCCc3ccccc32)cc1 O=C1CCCN1[*:1] O=C(c1ccc(cc1)[*:1])N1CCCc2ccccc21
CC(C)CC1=C[C@H]([C@@H]2NN[C@H]3SC(c4cccc(Br)c4)=NN32)N=N1 Brc1cccc(c1)[*:1] CC(C)CC1=C[C@@H](N=N1)[C@@H]1NN[C@H]2SC(=NN21)[*:1]
CC(C)CC1=C[C@H]([C@@H]2NN[C@H]3SC(c4cccc(Br)c4)=NN32)N=N1 CC(C)C[*:1] Brc1cccc(c1)C1=NN2[C@@H](NN[C@H]2[C@H]2C=C(N=N2)[*:1])S1
CC(C)CC1=C[C@H]([C@@H]2NN[C@H]3SC(c4cccc(Br)c4)=NN32)N=N1 CC(C)[*:1] Brc1cccc(c1)C1=NN2[C@@H](NN[C@H]2[C@H]2C=C(C[*:1])N=N2)S1
C[C@@H](Sc1ncc(CO)n1C)C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](Sc1ncc(CO)n1C)C(=O)N[*:1]
CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 c1ccc(cc1)C[*:1] CN(C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1)[*:1]
CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1
Cc1cc(C)c(NC(=O)CSc2n[nH]c(N)n2)c(Cl)c1 Nc1nc(n[nH]1)[*:1] Cc1cc(C)c(NC(=O)CS[*:1])c(Cl)c1
O=C1CN(c2ccc(I)cc2)C(=O)CN1/N=C\c1ccc([N+](=O)[O-])o1 Ic1ccc(cc1)[*:1] O=C1CN(C(=O)CN1/N=C\c1ccc(o1)[N+](=O)[O-])[*:1]
O=C1CN(c2ccc(I)cc2)C(=O)CN1/N=C\c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] O=C1CN(C(=O)CN1N=C[*:1])c1ccc(I)cc1
O=C1CN(c2ccc(I)cc2)C(=O)CN1/N=C\c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C1CN(C(=O)CN1/N=C\c1ccc(o1)[*:1])c1ccc(I)cc1
COC(=O)c1ccccc1NC(=O)COc1cc(C)nc(N2CCCC2)n1 C1CCN(C1)[*:1] COC(=O)c1ccccc1NC(=O)COc1cc(C)nc(n1)[*:1]
COC(=O)c1ccccc1NC(=O)COc1cc(C)nc(N2CCCC2)n1 COC(=O)[*:1] Cc1cc(nc(n1)N1CCCC1)OCC(=O)Nc1ccccc1[*:1]
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1cccc(C(C)=O)c1 CC(=O)[*:1] CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1cccc(c1)[*:1]
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Nc1cccc(C(C)=O)c1 Clc1ccc(cc1)[*:1] CO[C@H]([C@H](C)NC(=O)Nc1cccc(c1)C(C)=O)[*:1]
CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)CC2)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)N1CCC[C@H](C)CC1)[*:1]
CN(CC(C)(C)O)c1nc(Cl)nc(-n2cncn2)n1 c1ncn(n1)[*:1] CN(CC(C)(C)O)c1nc(Cl)nc(n1)[*:1]
CN(CC(C)(C)O)c1nc(Cl)nc(-n2cncn2)n1 CC(C)(O)[*:1] CN(C[*:1])c1nc(Cl)nc(n1)-n1cncn1
CN(CC(C)(C)O)c1nc(Cl)nc(-n2cncn2)n1 CC(C)(O)C[*:1] CN(c1nc(Cl)nc(n1)-n1cncn1)[*:1]
CCS(=O)(=O)C[C@H](C)N(C)Cc1c(C)n(C)n(-c2ccccc2)c1=O CCS(=O)(=O)[*:1] Cc1c(CN(C)[C@@H](C)C[*:1])c(=O)n(-c2ccccc2)n1C
CCS(=O)(=O)C[C@H](C)N(C)Cc1c(C)n(C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] CCS(=O)(=O)C[C@H](C)N(C)Cc1c(C)n(C)n(c1=O)[*:1]
CCS(=O)(=O)C[C@H](C)N(C)Cc1c(C)n(C)n(-c2ccccc2)c1=O CCS(=O)(=O)C[*:1] Cc1c(CN(C)[C@@H](C)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1cccc(COc2cccc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)c2)c1 Cc1cccc(c1)CO[*:1] CC(C)(C)[C@H](NC(=O)Nc1cccc(c1)[*:1])C(N)=O
Cc1cccc(COc2cccc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)c2)c1 Cc1cccc(c1)C[*:1] CC(C)(C)[C@H](NC(=O)Nc1cccc(c1)O[*:1])C(N)=O
Cc1cccc(COc2cccc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)c2)c1 CC(C)(C)[*:1] Cc1cccc(c1)COc1cccc(c1)NC(=O)N[C@H](C(N)=O)[*:1]
Cc1cccc(COc2cccc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)c2)c1 Cc1cccc(c1)[*:1] CC(C)(C)[C@H](NC(=O)Nc1cccc(c1)OC[*:1])C(N)=O
Cc1cccc(COc2cccc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)c2)c1 NC(=O)[*:1] Cc1cccc(c1)COc1cccc(c1)NC(=O)N[C@H](C(C)(C)C)[*:1]
CCC[NH2+][C@H]1CCC[C@H](OCCC(C)(C)C)C1 CC(C)(C)C[*:1] CCC[NH2+][C@H]1CCC[C@@H](C1)OC[*:1]
CCC[NH2+][C@H]1CCC[C@H](OCCC(C)(C)C)C1 CC(C)(C)[*:1] CCC[NH2+][C@H]1CCC[C@@H](C1)OCC[*:1]
CCC[NH2+][C@H]1CCC[C@H](OCCC(C)(C)C)C1 CCC[*:1] CC(C)(C)CCO[C@H]1CCC[C@@H](C1)[NH2+][*:1]
CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C(=O)N1c2ccccc2C[C@H]1C(N)=O
CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1OCC NC(=O)[*:1] CCOc1ccc(cc1OCC)C(=O)N1c2ccccc2C[C@@H]1[*:1]
CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C(=O)N1c2ccccc2C[C@H]1C(N)=O
O=C(c1ccnc2ccccc12)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O=C(c1ccnc2ccccc12)N1CCN(CC1)[*:1]
CN(Cc1nccs1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 c1csc(n1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(s1)[N+](=O)[O-]
CN(Cc1nccs1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 c1csc(C[*:1])n1 CN(S(=O)(=O)c1ccc(s1)[N+](=O)[O-])[*:1]
CN(Cc1nccs1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] CN(Cc1nccs1)S(=O)(=O)c1ccc(s1)[*:1]
CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1C[C@@H]1c1ccccc1C Cc1ccccc1[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)[C@H]1C[C@H]1[*:1]
COc1ccc(CC(=O)CCC(F)(F)F)cn1 FC(F)(F)C[*:1] COc1ccc(cn1)CC(=O)C[*:1]
COc1ccc(CC(=O)CCC(F)(F)F)cn1 FC(F)(F)[*:1] COc1ccc(cn1)CC(=O)CC[*:1]
FC(F)(F)CN(Cc1coc(-c2cccs2)n1)C1CCCC1 c1csc(c1)[*:1] FC(F)(F)CN(Cc1coc(n1)[*:1])C1CCCC1
FC(F)(F)CN(Cc1coc(-c2cccs2)n1)C1CCCC1 C1CCC(C1)[*:1] FC(F)(F)CN(Cc1coc(n1)-c1cccs1)[*:1]
FC(F)(F)CN(Cc1coc(-c2cccs2)n1)C1CCCC1 FC(F)(F)C[*:1] c1csc(c1)-c1nc(co1)CN(C1CCCC1)[*:1]
FC(F)(F)CN(Cc1coc(-c2cccs2)n1)C1CCCC1 FC(F)(F)[*:1] c1csc(c1)-c1nc(co1)CN(C[*:1])C1CCCC1
O=C([O-])c1ccccc1C(=O)NCCN1CCOCC1 O=C([O-])[*:1] O=C(NCCN1CCOCC1)c1ccccc1[*:1]
O=C([O-])c1ccccc1C(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] O=C([O-])c1ccccc1C(=O)NCC[*:1]
Cc1cc(C[NH2+][C@H](c2ccccn2)C2CCCC2)ccc1F c1ccc(nc1)[*:1] Cc1cc(ccc1F)C[NH2+][C@H](C1CCCC1)[*:1]
Cc1cc(C[NH2+][C@H](c2ccccn2)C2CCCC2)ccc1F C1CCC(C1)[*:1] Cc1cc(ccc1F)C[NH2+][C@H](c1ccccn1)[*:1]
Cc1nc(CNC(=O)Nc2ccc(OC(C)C)c(C)c2)c(C)s1 CC(C)O[*:1] Cc1nc(CNC(=O)Nc2ccc(c(C)c2)[*:1])c(C)s1
Cc1nc(CNC(=O)Nc2ccc(OC(C)C)c(C)c2)c(C)s1 Cc1nc(c(C)s1)[*:1] Cc1cc(ccc1OC(C)C)NC(=O)NC[*:1]
Cc1nc(CNC(=O)Nc2ccc(OC(C)C)c(C)c2)c(C)s1 CC(C)[*:1] Cc1nc(CNC(=O)Nc2ccc(O[*:1])c(C)c2)c(C)s1
CC(=O)NCCn1c(=O)n(Cc2ccccc2)c2cccnc21 c1ccc(cc1)[*:1] CC(=O)NCCn1c(=O)n(C[*:1])c2cccnc21
CC(=O)NCCn1c(=O)n(Cc2ccccc2)c2cccnc21 c1ccc(cc1)C[*:1] CC(=O)NCCn1c(=O)n(c2cccnc21)[*:1]
CC(=O)NCCn1c(=O)n(Cc2ccccc2)c2cccnc21 CC(=O)N[*:1] O=c1n(Cc2ccccc2)c2cccnc2n1CC[*:1]
CC(=O)NCCn1c(=O)n(Cc2ccccc2)c2cccnc21 CC(=O)NCC[*:1] O=c1n(Cc2ccccc2)c2cccnc2n1[*:1]
CC(=O)NCCn1c(=O)n(Cc2ccccc2)c2cccnc21 CC(=O)NC[*:1] O=c1n(Cc2ccccc2)c2cccnc2n1C[*:1]
C[C@@H](NC(=O)CS(=O)(=O)c1nncn1C)c1ccc(Br)cc1 Cn1cnnc1[*:1] C[C@@H](NC(=O)CS(=O)(=O)[*:1])c1ccc(Br)cc1
C[C@@H](NC(=O)CS(=O)(=O)c1nncn1C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)CS(=O)(=O)c1nncn1C)[*:1]
C#CCNC(=O)c1ccc(N(C)Cc2ccc(F)cc2)nc1 C#CCNC(=O)[*:1] CN(Cc1ccc(F)cc1)c1ccc(cn1)[*:1]
C#CCNC(=O)c1ccc(N(C)Cc2ccc(F)cc2)nc1 Fc1ccc(cc1)[*:1] C#CCNC(=O)c1ccc(nc1)N(C)C[*:1]
C#CCNC(=O)c1ccc(N(C)Cc2ccc(F)cc2)nc1 C#CC[*:1] CN(Cc1ccc(F)cc1)c1ccc(cn1)C(=O)N[*:1]
CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cccc3cccnc23)C1 c1cnc2c(cccc2c1)[*:1] CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(C1)C[*:1]
CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cccc3cccnc23)C1 CN(C)C(=O)[*:1] c1cnc2c(cccc2c1)CN1CC[C@@H](C1)c1c(sc2ccccc12)[*:1]
C[C@H](CC#N)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 N#CC[*:1] C[C@H](NC(=O)c1ccc(cc1)C(=O)OC(C)(C)C)[*:1]
C[C@H](CC#N)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)OC(=O)[*:1] C[C@H](CC#N)NC(=O)c1ccc(cc1)[*:1]
C[C@H](CC#N)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](CC#N)NC(=O)c1ccc(cc1)C(=O)O[*:1]
COc1ccc(-c2nc(C[NH+]3CCN(C[C@H](C)O)CC3)no2)cc1 C[C@H](O)[*:1] COc1ccc(cc1)-c1nc(C[NH+]2CCN(CC2)C[*:1])no1
COc1ccc(-c2nc(C[NH+]3CCN(C[C@H](C)O)CC3)no2)cc1 C[C@H](O)C[*:1] COc1ccc(cc1)-c1nc(C[NH+]2CCN(CC2)[*:1])no1
COc1ccc(-c2nc(C[NH+]3CCN(C[C@H](C)O)CC3)no2)cc1 COc1ccc(cc1)[*:1] C[C@H](O)CN1CC[NH+](CC1)Cc1noc(n1)[*:1]
Cc1ccccc1OCCN1CCN(CC(=O)NC2CC2)CC1 C1CC1[*:1] Cc1ccccc1OCCN1CCN(CC1)CC(=O)N[*:1]
Cc1ccccc1OCCN1CCN(CC(=O)NC2CC2)CC1 Cc1ccccc1[*:1] O=C(CN1CCN(CCO[*:1])CC1)NC1CC1
Cc1ccccc1OCCN1CCN(CC(=O)NC2CC2)CC1 O=C(NC1CC1)[*:1] Cc1ccccc1OCCN1CCN(CC1)C[*:1]
Cc1ccccc1OCCN1CCN(CC(=O)NC2CC2)CC1 O=C(C[*:1])NC1CC1 Cc1ccccc1OCCN1CCN(CC1)[*:1]
C[C@@H]1CN([C@@H](CCS(C)(=O)=O)C(=O)[O-])S(=O)(=O)C1 CS(=O)(=O)C[*:1] C[C@@H]1CN([C@@H](C[*:1])C(=O)[O-])S(=O)(=O)C1
C[C@@H]1CN([C@@H](CCS(C)(=O)=O)C(=O)[O-])S(=O)(=O)C1 O=C([O-])[*:1] C[C@@H]1CN([C@@H](CCS(C)(=O)=O)[*:1])S(=O)(=O)C1
C[C@@H]1CN([C@@H](CCS(C)(=O)=O)C(=O)[O-])S(=O)(=O)C1 CS(=O)(=O)CC[*:1] C[C@@H]1CN([C@@H](C(=O)[O-])[*:1])S(=O)(=O)C1
C[C@@H]1CN([C@@H](CCS(C)(=O)=O)C(=O)[O-])S(=O)(=O)C1 CS(=O)(=O)[*:1] C[C@@H]1CN([C@@H](CC[*:1])C(=O)[O-])S(=O)(=O)C1
NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H]1CCO[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] NC(=O)[C@]1(CCC[C@H]1CCO[*:1])[NH2+]C1CC1
NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H]1CCO[C@@H]1CCOC1 C1C[C@H](CO1)O[*:1] NC(=O)[C@]1(CCC[C@H]1CC[*:1])[NH2+]C1CC1
NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H]1CCO[C@@H]1CCOC1 C1CC1[*:1] NC(=O)[C@]1(CCC[C@H]1CCO[C@@H]1CCOC1)[NH2+][*:1]
NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H]1CCO[C@@H]1CCOC1 NC(=O)[*:1] C1C[C@@H](CCO[C@@H]2CCOC2)[C@](C1)([NH2+]C1CC1)[*:1]
CCn1c(N)nc2cc(C(=O)NC3CCC3)cnc21 C1CC(C1)[*:1] CCn1c(N)nc2cc(cnc21)C(=O)N[*:1]
C=CCNC(=O)C(=O)NCC1(c2ccccc2OC)CCOCC1 C=CC[*:1] COc1ccccc1C1(CCOCC1)CNC(=O)C(=O)N[*:1]
C=CCNC(=O)C(=O)NCC1(c2ccccc2OC)CCOCC1 COc1ccccc1[*:1] C=CCNC(=O)C(=O)NCC1(CCOCC1)[*:1]
COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCOCC2)cc1 Cn1cc(c2ccccc21)[*:1] COc1ccc(cc1)C(=O)NC(=C[*:1])C(=O)N1CCOCC1
COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)C(=O)N/C(=C\c1cn(C)c2ccccc12)[*:1]
COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cn1cc(/C=C(\NC(=O)[*:1])C(=O)N2CCOCC2)c2ccccc21
Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(SCC(=O)[O-])c1C FC(F)(F)[*:1] Cc1nc(nc(SCC(=O)[O-])c1C)-c1ccc(cc1)[*:1]
Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(SCC(=O)[O-])c1C O=C([O-])CS[*:1] Cc1nc(nc(c1C)[*:1])-c1ccc(cc1)C(F)(F)F
Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(SCC(=O)[O-])c1C O=C([O-])[*:1] Cc1nc(nc(SC[*:1])c1C)-c1ccc(cc1)C(F)(F)F
Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(SCC(=O)[O-])c1C O=C([O-])C[*:1] Cc1nc(nc(S[*:1])c1C)-c1ccc(cc1)C(F)(F)F
CC(C)(C)S(=O)(=O)CCNC(=O)N1CCC[C@H]1CO CC(C)(C)[*:1] O=C(NCCS(=O)(=O)[*:1])N1CCC[C@H]1CO
C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)[C@H](O)c1ccc(F)c(F)c1 O=C(N1CCOCC1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H](C)[C@H](O)c1ccc(F)c(F)c1
C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)[C@H](O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)[C@H](O)[*:1]
O=C(NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 O=C(NS(=O)(=O)c1ccc(cc1)CC[*:1])c1ccc(Cl)cc1
O=C(NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NS(=O)(=O)c1ccc(cc1)CCNC(=O)[*:1])c1ccc(Cl)cc1
O=C(NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCCc1ccc(cc1)S(=O)(=O)NC(=O)[*:1])c1ccc(Cl)cc1
CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C Cc1cccc(C)c1[*:1] CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C CCCC[*:1] Cc1cccc(C)c1N1/C(=N\C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C CCC[*:1] Cc1cccc(C)c1N1/C(=N\C(=O)C[*:1])S[C@@H]2CS(=O)(=O)C[C@H]21
COc1ccc(NC(=S)N[C@H](C)c2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=S)N[C@H](C)[*:1])c(c1)OC
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(NC(=O)c2ccccn2)cc1 c1ccc(nc1)[*:1] CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(NC(=O)c2ccccn2)cc1 Fc1cccc(c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(cc1)NC(=O)c1ccccn1
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(NC(=O)c2ccccn2)cc1 O=C(Nc1cccc(F)c1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)NC(=O)c1ccccn1
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(NC(=O)c2ccccn2)cc1 O=C(N[*:1])c1ccccn1 CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(cc1)[*:1]
O=C([O-])CC1(Nc2ccc(C(F)(F)F)cc2)CCC1 O=C([O-])[*:1] FC(F)(F)c1ccc(cc1)NC1(CCC1)C[*:1]
O=C([O-])CC1(Nc2ccc(C(F)(F)F)cc2)CCC1 O=C([O-])C[*:1] FC(F)(F)c1ccc(cc1)NC1(CCC1)[*:1]
O=C([O-])CC1(Nc2ccc(C(F)(F)F)cc2)CCC1 FC(F)(F)[*:1] O=C([O-])CC1(CCC1)Nc1ccc(cc1)[*:1]
Cc1ccc([C@@H](C)Nc2snc(C)c2C(=O)[O-])cc1F O=C([O-])[*:1] Cc1ccc(cc1F)[C@@H](C)Nc1snc(C)c1[*:1]
CCC/C([O-])=N/S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl CCC[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)S(=O)(=O)/N=C(\[O-])[*:1]
CCC/C([O-])=N/S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CCC/C([O-])=N/S(=O)(=O)c1cc(ccc1Cl)[*:1]
COCCCNC(=O)Cn1c(C)cc(=O)n2nc(-c3cccs3)nc12 c1csc(c1)[*:1] COCCCNC(=O)Cn1c(C)cc(=O)n2nc(nc12)[*:1]
COCCCNC(=O)Cn1c(C)cc(=O)n2nc(-c3cccs3)nc12 COC[*:1] Cc1cc(=O)n2nc(nc2n1CC(=O)NCC[*:1])-c1cccs1
COCCCNC(=O)Cn1c(C)cc(=O)n2nc(-c3cccs3)nc12 COCCC[*:1] Cc1cc(=O)n2nc(nc2n1CC(=O)N[*:1])-c1cccs1
COCCCNC(=O)Cn1c(C)cc(=O)n2nc(-c3cccs3)nc12 COCCCNC(=O)[*:1] Cc1cc(=O)n2nc(nc2n1C[*:1])-c1cccs1
COCCCNC(=O)Cn1c(C)cc(=O)n2nc(-c3cccs3)nc12 COCC[*:1] Cc1cc(=O)n2nc(nc2n1CC(=O)NC[*:1])-c1cccs1
CCc1noc(C)c1C(=O)Nc1scnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1noc(C)c1C(=O)Nc1scnc1[*:1]
O=C(Nc1ccccc1)c1sc2ccccc2c1[O-] c1ccc(cc1)[*:1] O=C(N[*:1])c1sc2ccccc2c1[O-]
C[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 C1CC1[*:1] C[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](Cc1ccccc1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] C[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C[*:1])C1CC1
C[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 C[C@@H](c1ccncc1)[*:1] CN(C(=O)N[C@@H](Cc1ccccc1)C1CC1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 c1cc(ccn1)[*:1] C[C@@H](N(C)C(=O)N[C@@H](Cc1ccccc1)C1CC1)[*:1]
C[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] C[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C1CC1)[*:1]
COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2cccc3cc(C)cnc23)cc1 Cc1cnc2c(cccc2c1)[*:1] COc1ccc(cc1)NC(=O)c1ccccc1N(C)S(=O)(=O)[*:1]
COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2cccc3cc(C)cnc23)cc1 COc1ccc(cc1)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N(C)c1ccccc1C(=O)N[*:1]
COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2cccc3cc(C)cnc23)cc1 COc1ccc(cc1)NC(=O)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N(C)c1ccccc1[*:1]
O=C(CBr)c1cccc2ncccc12 O=C(CBr)[*:1] c1cc(c2cccnc2c1)[*:1]
CC(=O)N1C[C@H](C(=O)NCc2cccc(C)c2)CC[C@@H]1c1ccc(F)c(C)c1 Cc1cccc(c1)[*:1] CC(=O)N1C[C@@H](CC[C@@H]1c1ccc(F)c(C)c1)C(=O)NC[*:1]
CC(=O)N1C[C@H](C(=O)NCc2cccc(C)c2)CC[C@@H]1c1ccc(F)c(C)c1 Cc1cc(ccc1F)[*:1] CC(=O)N1C[C@@H](CC[C@H]1[*:1])C(=O)NCc1cccc(C)c1
CC(=O)N1C[C@H](C(=O)NCc2cccc(C)c2)CC[C@@H]1c1ccc(F)c(C)c1 Cc1cccc(c1)C[*:1] CC(=O)N1C[C@@H](CC[C@@H]1c1ccc(F)c(C)c1)C(=O)N[*:1]
O=C(Nc1cccc(F)c1)[C@H]1CCCC[C@H]1C(=O)OCCF FCC[*:1] O=C(Nc1cccc(F)c1)[C@H]1CCCC[C@H]1C(=O)O[*:1]
O=C(Nc1cccc(F)c1)[C@H]1CCCC[C@H]1C(=O)OCCF O=C(OCCF)[*:1] O=C(Nc1cccc(F)c1)[C@H]1CCCC[C@@H]1[*:1]
O=C(Nc1cccc(F)c1)[C@H]1CCCC[C@H]1C(=O)OCCF Fc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCC[C@H]1C(=O)OCCF
O=C1CCC(=O)N1CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 O=C1CCC(=O)N1[*:1] Clc1ccc(cc1Cl)[C@H]([NH2+]CC[*:1])C1CC1
O=C1CCC(=O)N1CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 C1CC1[*:1] O=C1CCC(=O)N1CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[*:1]
CC[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)c1c(C)nn(C)c1C c1ccc(cc1)[*:1] CC[C@@H](NC(=O)N1CCN(CC1)[*:1])c1c(C)nn(C)c1C
CC[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@@H](NC(=O)N1CCN(CC1)c1ccccc1)[*:1]
Cn1ccnc1-c1ccc(-c2[nH+]ccn2C)cc1 Cn1ccnc1[*:1] Cn1cc[nH+]c1-c1ccc(cc1)[*:1]
COc1cccc(C(=O)C[NH+](C)CCc2cccs2)c1 c1csc(c1)[*:1] COc1cccc(c1)C(=O)C[NH+](C)CC[*:1]
COc1cccc(C(=O)C[NH+](C)CCc2cccs2)c1 c1csc(c1)C[*:1] COc1cccc(c1)C(=O)C[NH+](C)C[*:1]
O=C(/C=C/c1ccc2c(c1)CCO2)Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] O=C(/C=C/c1ccc2OCCc2c1)Nc1cc(ccc1F)[*:1]
C[C@@H](C1CC1)n1nccc1NC(=O)CSc1cccc[n+]1[O-] C[C@@H](C1CC1)[*:1] O=C(CSc1cccc[n+]1[O-])Nc1ccnn1[*:1]
C[C@@H](C1CC1)n1nccc1NC(=O)CSc1cccc[n+]1[O-] [O-][n+]1ccccc1[*:1] C[C@@H](C1CC1)n1nccc1NC(=O)CS[*:1]
C[C@@H](C1CC1)n1nccc1NC(=O)CSc1cccc[n+]1[O-] C1CC1[*:1] C[C@@H](n1nccc1NC(=O)CSc1cccc[n+]1[O-])[*:1]
Cn1c(SCCCCCO)nc2cc(Cl)ccc21 OCCCC[*:1] Cn1c(nc2cc(Cl)ccc21)SC[*:1]
Cn1c(SCCCCCO)nc2cc(Cl)ccc21 OCCCCC[*:1] Cn1c(nc2cc(Cl)ccc21)S[*:1]
Cn1c(SCCCCCO)nc2cc(Cl)ccc21 OCCC[*:1] Cn1c(nc2cc(Cl)ccc21)SCC[*:1]
Cn1c(SCCCCCO)nc2cc(Cl)ccc21 OCC[*:1] Cn1c(nc2cc(Cl)ccc21)SCCC[*:1]
O=C(CN1CSCC1=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 Fc1ccc(cc1)[*:1] O=C(CN1CSCC1=O)NCc1nc(n[nH]1)[*:1]
O=C(CN1CSCC1=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 O=C1CSCN1[*:1] O=C(C[*:1])NCc1nc(n[nH]1)-c1ccc(F)cc1
O=C(CN1CSCC1=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 O=C1CSCN1C[*:1] O=C(NCc1nc(n[nH]1)-c1ccc(F)cc1)[*:1]
Cn1c(-c2cccc3c2OC(C)(C)C3)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 c1ccc(cc1)[*:1] Cn1c(nc2c1c(=O)[nH]c(=O)n2C[*:1])-c1cccc2CC(C)(C)Oc21
Cn1c(-c2cccc3c2OC(C)(C)C3)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1c(nc2c1c(=O)[nH]c(=O)n2[*:1])-c1cccc2CC(C)(C)Oc21
CCSc1ccc(NC(=O)NCCc2nccn2C(F)F)cn1 FC(F)[*:1] CCSc1ccc(cn1)NC(=O)NCCc1nccn1[*:1]
CCSc1ccc(NC(=O)NCCc2nccn2C(F)F)cn1 CCS[*:1] O=C(NCCc1nccn1C(F)F)Nc1ccc(nc1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(C2SCCS2)c1 c1ccc(nc1)[*:1] C[C@@H](N(C)C(=O)Nc1cccc(c1)C1SCCS1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(C2SCCS2)c1 C1CSC(S1)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(C2SCCS2)c1 C[C@@H](c1ccccn1)[*:1] CN(C(=O)Nc1cccc(c1)C1SCCS1)[*:1]
C[C@H](Cn1cncn1)NC(=O)NCC1(c2ccc(F)cc2F)CC1 c1ncn(n1)[*:1] C[C@H](C[*:1])NC(=O)NCC1(CC1)c1ccc(F)cc1F
C[C@H](Cn1cncn1)NC(=O)NCC1(c2ccc(F)cc2F)CC1 c1ncn(C[*:1])n1 C[C@H](NC(=O)NCC1(CC1)c1ccc(F)cc1F)[*:1]
C[C@H](Cn1cncn1)NC(=O)NCC1(c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] C[C@H](Cn1cncn1)NC(=O)NCC1(CC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCCOc1cccc(F)c1 Fc1cccc(c1)OC[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCCOc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCCO[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCCOc1cccc(F)c1 Fc1cccc(c1)O[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCC[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCCOc1cccc(F)c1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)NCCOc1cccc(F)c1)[*:1]
Cc1ccc(-n2cc(C[NH2+]CCc3c[nH]cn3)c(-c3cccc(C)c3)n2)cc1 c1nc(c[nH]1)[*:1] Cc1ccc(cc1)-n1cc(C[NH2+]CC[*:1])c(n1)-c1cccc(C)c1
Cc1ccc(-n2cc(C[NH2+]CCc3c[nH]cn3)c(-c3cccc(C)c3)n2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)-n1cc(C[NH2+]CCc2c[nH]cn2)c(n1)[*:1]
Cc1ccc(-n2cc(C[NH2+]CCc3c[nH]cn3)c(-c3cccc(C)c3)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)-c1nn(cc1C[NH2+]CCc1c[nH]cn1)[*:1]
COc1c(F)cc(NC(=O)C(=O)N2CC[C@H](OCCC(C)C)C2)cc1F CC(C)[*:1] COc1c(F)cc(cc1F)NC(=O)C(=O)N1CC[C@@H](C1)OCC[*:1]
COc1c(F)cc(NC(=O)C(=O)N2CC[C@H](OCCC(C)C)C2)cc1F CC(C)CCO[*:1] COc1c(F)cc(cc1F)NC(=O)C(=O)N1CC[C@H](C1)[*:1]
COc1c(F)cc(NC(=O)C(=O)N2CC[C@H](OCCC(C)C)C2)cc1F CC(C)CC[*:1] COc1c(F)cc(cc1F)NC(=O)C(=O)N1CC[C@@H](C1)O[*:1]
COc1c(F)cc(NC(=O)C(=O)N2CC[C@H](OCCC(C)C)C2)cc1F CC(C)C[*:1] COc1c(F)cc(cc1F)NC(=O)C(=O)N1CC[C@@H](C1)OC[*:1]
CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O COc1ccc(cc1Cl)[*:1] CC[C@@H](C(=O)N[*:1])N1CCN(Cc2ccc(F)cc2)C(=O)C1=O
CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O Fc1ccc(cc1)C[*:1] CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)N1CCN(C(=O)C1=O)[*:1]
CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O Fc1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)N1CCN(C[*:1])C(=O)C1=O
Cc1noc(C)c1COc1cccc(C(=O)N(C)CCC(C)C)c1 Cc1noc(C)c1[*:1] CC(C)CCN(C)C(=O)c1cccc(c1)OC[*:1]
Cc1noc(C)c1COc1cccc(C(=O)N(C)CCC(C)C)c1 CC(C)[*:1] Cc1noc(C)c1COc1cccc(c1)C(=O)N(C)CC[*:1]
Cc1noc(C)c1COc1cccc(C(=O)N(C)CCC(C)C)c1 Cc1noc(C)c1C[*:1] CC(C)CCN(C)C(=O)c1cccc(c1)O[*:1]
Cc1noc(C)c1COc1cccc(C(=O)N(C)CCC(C)C)c1 CC(C)CC[*:1] Cc1noc(C)c1COc1cccc(c1)C(=O)N(C)[*:1]
Cc1noc(C)c1COc1cccc(C(=O)N(C)CCC(C)C)c1 CC(C)C[*:1] Cc1noc(C)c1COc1cccc(c1)C(=O)N(C)C[*:1]
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1cccnc1 O=C(N[*:1])c1ccco1 C[C@@H](NC(=O)[C@H](Cc1ccccc1)[*:1])c1cccnc1
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)[*:1]
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1cccnc1 c1coc(c1)[*:1] C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[*:1])c1cccnc1
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1cccnc1 C[C@@H](c1cccnc1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1ccco1
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1cccnc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)[C@H](NC(=O)c1ccco1)[*:1])c1cccnc1
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1cccnc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@H](C[*:1])NC(=O)c1ccco1)c1cccnc1
COc1ccc([C@@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@@H](c4cccs4)[C@@H]32)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc2O[C@H]([C@@H]3C(=Nc4ncnn4[C@H]3c3cccs3)c2c1)[*:1]
COc1ccc([C@@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@@H](c4cccs4)[C@@H]32)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)[C@@H]1Oc2ccc(C)cc2C2=Nc3ncnn3[C@@H]([C@@H]21)[*:1]
CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[N+](C)(C)C)CCC[C@@]21C CC(C)[*:1] C[C@]1(CCC[C@@]2(C)c3ccc(cc3CC[C@H]12)[*:1])C[N+](C)(C)C
CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[N+](C)(C)C)CCC[C@@]21C C[N+](C)(C)C[*:1] CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)[*:1]
CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[N+](C)(C)C)CCC[C@@]21C C[N+](C)(C)[*:1] CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CCC[C@@]21C)C[*:1]
CC#Cc1n[nH]c2ncnc(N)c12 CC#C[*:1] Nc1ncnc2[nH]nc(c12)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N1CCSC[C@@H]1CC(=O)[O-] CC(C)C[*:1] [NH3+]C[C@H](C(=O)N1CCSC[C@@H]1CC(=O)[O-])[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N1CCSC[C@@H]1CC(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](C[NH3+])C(=O)N1CCSC[C@@H]1C[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N1CCSC[C@@H]1CC(=O)[O-] O=C([O-])C[*:1] CC(C)C[C@H](C[NH3+])C(=O)N1CCSC[C@H]1[*:1]
CC(C)C[C@H](C[NH3+])C(=O)N1CCSC[C@@H]1CC(=O)[O-] CC(C)[*:1] [NH3+]C[C@@H](C[*:1])C(=O)N1CCSC[C@@H]1CC(=O)[O-]
CCC(C)(C)Nc1c(-c2ccccc2O)nc2c(C)cccn12 CCC(C)(C)[*:1] Cc1cccn2c(N[*:1])c(nc12)-c1ccccc1O
CCC(C)(C)Nc1c(-c2ccccc2O)nc2c(C)cccn12 Oc1ccccc1[*:1] CCC(C)(C)Nc1c(nc2c(C)cccn12)[*:1]
CCC(C)(C)Nc1c(-c2ccccc2O)nc2c(C)cccn12 CCC(C)(C)N[*:1] Cc1cccn2c(c(nc12)-c1ccccc1O)[*:1]
C[C@@H](Sc1ccccn1)C(=O)N(CC1CC1)CC1CC1 C1CC1C[*:1] C[C@@H](Sc1ccccn1)C(=O)N(CC1CC1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)N(CC1CC1)CC1CC1 C1CC1[*:1] C[C@@H](Sc1ccccn1)C(=O)N(CC1CC1)C[*:1]
C[C@@H](Sc1ccccn1)C(=O)N(CC1CC1)CC1CC1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)N(CC1CC1)CC1CC1
COc1ccc(/C=C/S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F O=[N+]([O-])[*:1] COc1ccc(/C=C/S(=O)(=O)c2ccc(cc2)[*:1])cc1F
NC(=O)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 NC(=O)[*:1] FC(F)(F)Oc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
NC(=O)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 FC(F)(F)O[*:1] NC(=O)C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
NC(=O)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 FC(F)(F)[*:1] NC(=O)C1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
CC(C)N(C)c1ccc(NC(=O)c2cn(Cc3cccnc3)nn2)cc1F c1cncc(c1)C[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)c1cn(nn1)[*:1]
CC(C)N(C)c1ccc(NC(=O)c2cn(Cc3cccnc3)nn2)cc1F CC(C)[*:1] CN(c1ccc(cc1F)NC(=O)c1cn(Cc2cccnc2)nn1)[*:1]
CC(C)N(C)c1ccc(NC(=O)c2cn(Cc3cccnc3)nn2)cc1F CC(C)N(C)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])c1cn(Cc2cccnc2)nn1
CC(C)N(C)c1ccc(NC(=O)c2cn(Cc3cccnc3)nn2)cc1F c1cncc(c1)[*:1] CC(C)N(C)c1ccc(cc1F)NC(=O)c1cn(C[*:1])nn1
COC(=O)[C@H](NC(=O)C#Cc1ccccc1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COC(=O)[C@H](NC(=O)C#Cc1ccccc1)[*:1]
COC(=O)[C@H](NC(=O)C#Cc1ccccc1)c1ccc(F)cc1F C(#C[*:1])c1ccccc1 COC(=O)[C@H](NC(=O)[*:1])c1ccc(F)cc1F
COC(=O)[C@H](NC(=O)C#Cc1ccccc1)c1ccc(F)cc1F COC(=O)[*:1] O=C(C#Cc1ccccc1)N[C@H](c1ccc(F)cc1F)[*:1]
COC(=O)[C@H](NC(=O)C#Cc1ccccc1)c1ccc(F)cc1F c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)C#C[*:1])c1ccc(F)cc1F
CN1C(=O)C[C@@H](NS(=O)(=O)c2c[nH]cn2)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NS(=O)(=O)c2c[nH]cn2)[C@@H]1[*:1]
CN1C(=O)C[C@@H](NS(=O)(=O)c2c[nH]cn2)[C@H]1c1ccc(Cl)cc1 c1nc(c[nH]1)[*:1] CN1C(=O)C[C@@H](NS(=O)(=O)[*:1])[C@H]1c1ccc(Cl)cc1
CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cn1 CCN(CC)[*:1] C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(nc1)[*:1]
COCCNC(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1c(OC)cccc1OC COCC[*:1] COc1cccc(OC)c1C(=O)N1[C@H](COC12CCCCC2)C(=O)N[*:1]
COCCNC(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1c(OC)cccc1OC COC[*:1] COc1cccc(OC)c1C(=O)N1[C@H](COC12CCCCC2)C(=O)NC[*:1]
COCCNC(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1c(OC)cccc1OC COCCNC(=O)[*:1] COc1cccc(OC)c1C(=O)N1[C@H](COC12CCCCC2)[*:1]
Cc1ccc([C@@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+]1CCCCC1
Cc1ccc([C@@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H]([NH+]1CCCCC1)[*:1])c1ccccc1Cl
c1cc([C@H]2CCC[NH2+]2)nc(Nc2nccs2)n1 c1csc(n1)[*:1] c1cc(nc(n1)N[*:1])[C@H]1CCC[NH2+]1
Cc1nn2c([O-])cc(C(=O)NCCN(C)c3ccccc3)nc2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn2c([O-])cc(nc2c1-c1ccccc1)C(=O)NCCN(C)[*:1]
Cc1nn2c([O-])cc(C(=O)NCCN(C)c3ccccc3)nc2c1-c1ccccc1 CN(CC[*:1])c1ccccc1 Cc1nn2c([O-])cc(nc2c1-c1ccccc1)C(=O)N[*:1]
Cc1nn2c([O-])cc(C(=O)NCCN(C)c3ccccc3)nc2c1-c1ccccc1 CN(C[*:1])c1ccccc1 Cc1nn2c([O-])cc(nc2c1-c1ccccc1)C(=O)NC[*:1]
Cc1nn2c([O-])cc(C(=O)NCCN(C)c3ccccc3)nc2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn2c([O-])cc(nc2c1[*:1])C(=O)NCCN(C)c1ccccc1
Cc1nn2c([O-])cc(C(=O)NCCN(C)c3ccccc3)nc2c1-c1ccccc1 CN(c1ccccc1)[*:1] Cc1nn2c([O-])cc(nc2c1-c1ccccc1)C(=O)NCC[*:1]
CC(C)c1nc(CN2CCC[C@H](c3ccncn3)C2)cs1 c1cc(ncn1)[*:1] CC(C)c1nc(cs1)CN1CCC[C@H](C1)[*:1]
CC(C)c1nc(CN2CCC[C@H](c3ccncn3)C2)cs1 CC(C)[*:1] c1cc(ncn1)[C@H]1CCCN(Cc2csc(n2)[*:1])C1
CCC[NH+](CCC)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 O=C([O-])[*:1] CCC[NH+](CCC)[C@H]1[C@@H]([C@H]2CC[C@@H]1C2)[*:1]
CCC[NH+](CCC)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 CCC[*:1] CCC[NH+]([C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2)[*:1]
C[NH+]1CCN(Cc2noc(CC3CC3)n2)CC1 C1CC1[*:1] C[NH+]1CCN(CC1)Cc1noc(C[*:1])n1
C[NH+]1CCN(Cc2noc(CC3CC3)n2)CC1 C1CC1C[*:1] C[NH+]1CCN(CC1)Cc1noc(n1)[*:1]
C[C@@H](Cc1cccs1)N(C)S(=O)(=O)N1CCCC[C@@H]1C[NH3+] c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)S(=O)(=O)N1CCCC[C@@H]1C[NH3+]
C[C@@H](Cc1cccs1)N(C)S(=O)(=O)N1CCCC[C@@H]1C[NH3+] c1csc(c1)C[*:1] C[C@@H](N(C)S(=O)(=O)N1CCCC[C@@H]1C[NH3+])[*:1]
C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc2c(c1)CCC2 c1ccc(nc1)[*:1] C[C@H]([NH2+][C@H]1CCN(C1)[*:1])c1ccc2CCCc2c1
COc1ccc(C(=O)NC[C@@H](O)c2cccn2C)cc1 Cn1cccc1[*:1] COc1ccc(cc1)C(=O)NC[C@@H](O)[*:1]
Cc1occc1C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 CC(C)CNS(=O)(=O)[*:1] Cc1occc1C(=O)NCc1ccc(cc1)[*:1]
Cc1occc1C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 Cc1occc1[*:1] CC(C)CNS(=O)(=O)c1ccc(cc1)CNC(=O)[*:1]
Cc1occc1C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 CC(C)C[*:1] Cc1occc1C(=O)NCc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1occc1C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 CC(C)[*:1] Cc1occc1C(=O)NCc1ccc(cc1)S(=O)(=O)NC[*:1]
C[C@@H](CC(=O)NNc1cc(C#N)cc(Cl)n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)NNc1cc(C#N)cc(Cl)n1)[*:1]
COCCOC1CCN(c2cc(C)[nH+]c3c(F)cccc23)CC1 COCC[*:1] Cc1cc(c2cccc(F)c2[nH+]1)N1CCC(CC1)O[*:1]
COCCOC1CCN(c2cc(C)[nH+]c3c(F)cccc23)CC1 COC[*:1] Cc1cc(c2cccc(F)c2[nH+]1)N1CCC(CC1)OC[*:1]
COCCOC1CCN(c2cc(C)[nH+]c3c(F)cccc23)CC1 COCCO[*:1] Cc1cc(c2cccc(F)c2[nH+]1)N1CCC(CC1)[*:1]
O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 O=C1CCCN1[*:1] c1ccc(C[*:1])c(c1)C[NH2+][C@@H]1CCOC2(CCOCC2)C1
O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 O=C1CCCN1C[*:1] c1ccc(c(c1)C[NH2+][C@@H]1CCOC2(CCOCC2)C1)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NCCc2cc(Cl)cc(Cl)c2)c1 CC(=O)N(C)C[*:1] O=C(NCCc1cc(Cl)cc(Cl)c1)Nc1cccc(c1)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NCCc2cc(Cl)cc(Cl)c2)c1 CC(=O)N(C)[*:1] O=C(NCCc1cc(Cl)cc(Cl)c1)Nc1cccc(c1)C[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)NCCc2cc(Cl)cc(Cl)c2)c1 Clc1cc(Cl)cc(c1)[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)NCC[*:1]
FC(F)(F)c1nnc2ccc(NCCc3ccccn3)nn12 c1ccc(nc1)[*:1] FC(F)(F)c1nnc2ccc(nn12)NCC[*:1]
FC(F)(F)c1nnc2ccc(NCCc3ccccn3)nn12 c1ccc(C[*:1])nc1 FC(F)(F)c1nnc2ccc(nn12)NC[*:1]
FC(F)(F)c1nnc2ccc(NCCc3ccccn3)nn12 FC(F)(F)[*:1] c1ccc(CCNc2ccc3nnc(n3n2)[*:1])nc1
Cc1cccc(COc2ccccc2C(=O)Cl)c1 O=C(Cl)[*:1] Cc1cccc(c1)COc1ccccc1[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CC(C)C)NC(N)=O)CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H](C[*:1])NC(N)=O
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CC(C)C)NC(N)=O)CC2)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H](NC(N)=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CC(C)C)NC(N)=O)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@@H](NC(N)=O)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CC(C)C)NC(N)=O)CC2)cc1 NC(=O)N[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H](CC(C)C)[*:1]
COCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COCCOC(=O)c1ccc(cc1)NC(=O)[*:1]
COCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 COCCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
COCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 COC[*:1] O=C(Nc1ccc(cc1)C(=O)OC[*:1])c1ccc(Cl)cc1
COCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 COCC[*:1] O=C(Nc1ccc(cc1)C(=O)O[*:1])c1ccc(Cl)cc1
O=C(NNc1ncccc1Cl)Nc1ccc(-c2ncon2)cc1 c1nc(no1)[*:1] O=C(NNc1ncccc1Cl)Nc1ccc(cc1)[*:1]
O=C(NNc1ncccc1Cl)Nc1ccc(-c2ncon2)cc1 Clc1cccnc1[*:1] O=C(NN[*:1])Nc1ccc(cc1)-c1ncon1
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H]2CCCC[C@H]21 O=S(=O)(N1CCOCC1)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCC[C@@H]2CCCC[C@H]21
O=C1CN(c2ccccc2C[NH2+]C2CC2)CCN1 C1CC1[*:1] O=C1CN(CCN1)c1ccccc1C[NH2+][*:1]
Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(N3CCOC3=O)cc1)CO2 O=C1OCCN1[*:1] Cc1ccc2OC[C@H]([NH2+][C@H](C)c3ccc(cc3)[*:1])c2c1
COCCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)N1C(=N[C@H]2CS(=O)(=O)C[C@H]21)SC[*:1]
COCCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC)cc1 COCC[*:1] COc1ccc(cc1)N1C(=N[C@H]2CS(=O)(=O)C[C@H]21)S[*:1]
Cc1c(C[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)cnn1C c1ccc(cc1)C[*:1] Cc1c(cnn1C)C[NH2+][C@H]1CCC[C@H]1C[*:1]
Cc1c(C[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)cnn1C Cc1c(cnn1C)[*:1] c1ccc(cc1)CC[C@@H]1CCC[C@@H]1[NH2+]C[*:1]
Cc1c(C[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)cnn1C c1ccc(cc1)[*:1] Cc1c(cnn1C)C[NH2+][C@H]1CCC[C@H]1CC[*:1]
Cc1nnc(S[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)n(N)c1=O C[C@H]1CCCC[C@@H]1[*:1] Cc1nnc(S[C@H](C)C(=O)N[*:1])n(N)c1=O
COc1ccc(-n2nnc(C(C)=O)c2NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)-n1nnc(C(C)=O)c1N[*:1]
COc1ccc(-n2nnc(C(C)=O)c2NCc2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1nnn(c1NCc1ccc(F)cc1)[*:1]
COc1ccc(-n2nnc(C(C)=O)c2NCc2ccc(F)cc2)cc1 CC(=O)[*:1] COc1ccc(cc1)-n1nnc(c1NCc1ccc(F)cc1)[*:1]
COc1ccc(-n2nnc(C(C)=O)c2NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-n1nnc(C(C)=O)c1NC[*:1]
O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(C(=O)NC2CC2)c1 C1CC1[*:1] O=C(Cc1ccc2CCCc2c1)Nc1cccc(c1)C(=O)N[*:1]
O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] O=C(Cc1ccc2CCCc2c1)Nc1cccc(c1)[*:1]
COCCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@]12C(=O)Nc1ccccc12 COCC[*:1] Cc1cc2OC(N)=C(C(=O)O[*:1])[C@]3(C(=O)Nc4ccccc43)c2c(=O)o1
COCCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@]12C(=O)Nc1ccccc12 COC[*:1] Cc1cc2OC(N)=C(C(=O)OC[*:1])[C@]3(C(=O)Nc4ccccc43)c2c(=O)o1
COCCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@]12C(=O)Nc1ccccc12 COCCOC(=O)[*:1] Cc1cc2OC(N)=C([C@]3(C(=O)Nc4ccccc43)c2c(=O)o1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)[C@H](c1ccccc1)[NH+]1CCCCC1 c1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)[C@H]([NH+]1CCCCC1)[*:1]
O=C1CCC[C@@H]1CCSCCCO OCCC[*:1] O=C1CCC[C@@H]1CCS[*:1]
O=C1CCC[C@@H]1CCSCCCO OCC[*:1] O=C1CCC[C@@H]1CCSC[*:1]
Cc1cccnc1CNc1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 CC(C)C[*:1] Cc1cccnc1CNc1ccc(cn1)C(=O)N1CCC[C@@H](C1)C(=O)[*:1]
Cc1cccnc1CNc1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 Cc1cccnc1CN[*:1] CC(C)CC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(nc1)[*:1]
Cc1cccnc1CNc1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 CC(C)CC(=O)[*:1] Cc1cccnc1CNc1ccc(cn1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1cccnc1CNc1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 CC(C)[*:1] Cc1cccnc1CNc1ccc(cn1)C(=O)N1CCC[C@@H](C1)C(=O)C[*:1]
Cc1cccnc1CNc1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 Cc1cccnc1[*:1] CC(C)CC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(nc1)NC[*:1]
Cc1cccnc1CNc1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 Cc1cccnc1C[*:1] CC(C)CC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(nc1)N[*:1]
CC[C@H](C)NC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1ccc(c(c1)NS(=O)(=O)[*:1])N1CCCCC1
CC[C@H](C)NC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 CC[C@H](C)NC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)[*:1]
CC[C@H](C)NC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 C1CCN(CC1)[*:1] CC[C@H](C)NC(=O)c1ccc(c(c1)NS(=O)(=O)c1ccc(C)cc1)[*:1]
CS[C@@H](C)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 CS[C@@H](C)[*:1] O=C(Nc1ccn(n1)-c1ccc(Cl)cc1Cl)[*:1]
C[C@@H]1CCc2c(C(=O)NC[C@H]3CC[C@H](C(=O)N(C)C)O3)csc2C1 CN(C)C(=O)[*:1] C[C@@H]1CCc2c(csc2C1)C(=O)NC[C@H]1CC[C@H](O1)[*:1]
O=C(Cn1c(=O)oc2ccccc21)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 O=c1oc2ccccc2n1[*:1] O=C(C[*:1])N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1
O=C(Cn1c(=O)oc2ccccc21)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 Clc1cccc2sc(nc12)[*:1] O=C(Cn1c(=O)oc2ccccc21)N(CCCN1CCOCC1)[*:1]
O=C(Cn1c(=O)oc2ccccc21)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 C1CN(CCO1)CC[*:1] O=C(Cn1c(=O)oc2ccccc21)N(C[*:1])c1nc2c(Cl)cccc2s1
O=C(Cn1c(=O)oc2ccccc21)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 O=c1oc2ccccc2n1C[*:1] O=C(N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1)[*:1]
O=C(Cn1c(=O)oc2ccccc21)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 C(CN1CCOCC1)C[*:1] O=C(Cn1c(=O)oc2ccccc21)N(c1nc2c(Cl)cccc2s1)[*:1]
O=C(Cn1c(=O)oc2ccccc21)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 C1CN(CCO1)C[*:1] O=C(Cn1c(=O)oc2ccccc21)N(CC[*:1])c1nc2c(Cl)cccc2s1
O=C(Cn1c(=O)oc2ccccc21)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1 C1CN(CCO1)[*:1] O=C(Cn1c(=O)oc2ccccc21)N(CCC[*:1])c1nc2c(Cl)cccc2s1
C[C@H](O)CC[NH2+][C@H]1CCc2c(F)ccc(Br)c21 C[C@H](O)[*:1] Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CC[*:1]
C[C@H](O)CC[NH2+][C@H]1CCc2c(F)ccc(Br)c21 C[C@H](O)C[*:1] Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C[*:1]
c1ccc(-c2ccn(CCn3ccnc3)n2)cc1 c1cn(cn1)[*:1] c1ccc(cc1)-c1ccn(CC[*:1])n1
c1ccc(-c2ccn(CCn3ccnc3)n2)cc1 c1cn(cn1)C[*:1] c1ccc(cc1)-c1ccn(C[*:1])n1
c1ccc(-c2ccn(CCn3ccnc3)n2)cc1 c1ccc(cc1)[*:1] c1cn(cn1)CCn1ccc(n1)[*:1]
C[C@H](CC[NH+](C)C)NC(=O)Nc1cnc(C(C)(C)C)nc1 CC(C)(C)[*:1] C[C@H](CC[NH+](C)C)NC(=O)Nc1cnc(nc1)[*:1]
Cc1cc(OC(=O)CC[C@@H]2CCCO2)ccc1Cl C1CO[C@@H](C1)C[*:1] Cc1cc(ccc1Cl)OC(=O)C[*:1]
Cc1cc(OC(=O)CC[C@@H]2CCCO2)ccc1Cl C1CO[C@@H](C1)[*:1] Cc1cc(ccc1Cl)OC(=O)CC[*:1]
COc1ccc(C[n+]2c([O-])cc3nn(-c4ccc(Cl)cc4)c(O)c3c2C)cc1 COc1ccc(cc1)C[*:1] Cc1c2c(O)n(nc2cc([O-])[n+]1[*:1])-c1ccc(Cl)cc1
COc1ccc(C[n+]2c([O-])cc3nn(-c4ccc(Cl)cc4)c(O)c3c2C)cc1 COc1ccc(cc1)[*:1] Cc1c2c(O)n(nc2cc([O-])[n+]1C[*:1])-c1ccc(Cl)cc1
COc1ccc(C[n+]2c([O-])cc3nn(-c4ccc(Cl)cc4)c(O)c3c2C)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)C[n+]1c([O-])cc2nn(c(O)c2c1C)[*:1]
CCOc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCCC[NH2+]2)c1 CCO[*:1] C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]Cc1cccc(c1)[*:1]
NC(=O)C1CCC(F)(F)CC1 NC(=O)[*:1] FC1(F)CCC(CC1)[*:1]
O=c1c(N[C@H]2CCC[NH2+]C2)nccn1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c(nccn1[*:1])N[C@H]1CCC[NH2+]C1
C[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nn2)c2ccccc2S1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H]([NH2+]Cc2cn(nn2)[*:1])c2ccccc2S1
CC[C@H](C)N(CC)C(=O)CC(N)=S NC(=S)C[*:1] CC[C@H](C)N(CC)C(=O)[*:1]
CC[C@H](C)N(CC)C(=O)CC(N)=S CC[C@H](C)[*:1] CCN(C(=O)CC(N)=S)[*:1]
CC[C@H](C)N(CC)C(=O)CC(N)=S NC(=S)[*:1] CC[C@H](C)N(CC)C(=O)C[*:1]
CC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F CC(=O)N(C)[*:1] O[C@H](COc1ccccc1C(F)(F)F)C[*:1]
CC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F CC(=O)N(C)C[*:1] O[C@H](COc1ccccc1C(F)(F)F)[*:1]
CC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F FC(F)(F)[*:1] CC(=O)N(C)C[C@H](O)COc1ccccc1[*:1]
CSc1cccc(NC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)c1 CSc1cccc(c1)[*:1] O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)N[*:1]
CSc1cccc(NC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)c1 C1CN(CCO1)[*:1] CSc1cccc(c1)NC(=O)NC[C@H](c1cccc(F)c1)[*:1]
CSc1cccc(NC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)c1 Fc1cccc(c1)[*:1] CSc1cccc(c1)NC(=O)NC[C@H](N1CCOCC1)[*:1]
COc1ccc(CNC(=O)C2CCN(Cn3cc[nH]c3=S)CC2)cc1 S=c1[nH]ccn1C[*:1] COc1ccc(cc1)CNC(=O)C1CCN(CC1)[*:1]
COc1ccc(CNC(=O)C2CCN(Cn3cc[nH]c3=S)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)Cn1cc[nH]c1=S
Cc1cc(N2CC(n3nc(C)cc3C)C2)n2nc(C)c(C)c2n1 Cc1cc(C)n(n1)[*:1] Cc1cc(N2CC(C2)[*:1])n2nc(C)c(C)c2n1
C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 C=CC[*:1] CN(C)C(=O)c1cccc(c1)S(=O)(=O)N(Cc1ccccc1)[*:1]
C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(c1)[*:1]
C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 c1ccc(cc1)C[*:1] C=CCN(S(=O)(=O)c1cccc(c1)C(=O)N(C)C)[*:1]
C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 c1ccc(cc1)[*:1] C=CCN(C[*:1])S(=O)(=O)c1cccc(c1)C(=O)N(C)C
CCC[NH2+]C[C@@H](CC)Oc1ccccc1 CCC[*:1] CC[C@H](C[NH2+][*:1])Oc1ccccc1
CC[C@H](CNc1nccn(CC)c1=O)Oc1ccccc1F Fc1ccccc1[*:1] CC[C@H](CNc1nccn(CC)c1=O)O[*:1]
CCCCNC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](CC)C3 CCC[*:1] CC[C@@H]1CCc2c(C1)sc1nc(CC(=O)NC[*:1])[nH]c(=O)c21
CCCCNC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](CC)C3 CCCC[*:1] CC[C@@H]1CCc2c(C1)sc1nc(CC(=O)N[*:1])[nH]c(=O)c21
CCCCNC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](CC)C3 CCCCNC(=O)[*:1] CC[C@@H]1CCc2c(C1)sc1nc(C[*:1])[nH]c(=O)c21
CCCCNC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](CC)C3 CCCCNC(=O)C[*:1] CC[C@@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)[*:1]
Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)n(Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)n(C[*:1])n1
Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)n(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)n(n1)[*:1]
NNCc1nc(-c2ccccc2Cl)cs1 NNC[*:1] Clc1ccccc1-c1csc(n1)[*:1]
C[C@H]1NC(=S)N(c2ccc(Oc3ccncc3)cc2)C1=O c1cc(ccn1)[*:1] C[C@H]1NC(=S)N(C1=O)c1ccc(cc1)O[*:1]
C[C@H]1NC(=S)N(c2ccc(Oc3ccncc3)cc2)C1=O c1cc(ccn1)O[*:1] C[C@H]1NC(=S)N(C1=O)c1ccc(cc1)[*:1]
C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(-n2cccn2)c1 c1cn(cn1)C[*:1] C[C@@H]([NH2+]Cc1cccc(c1)-n1cccn1)[*:1]
C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(c1)[*:1]
C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(-n2cccn2)c1 c1cn(cn1)[*:1] C[C@@H](C[*:1])[NH2+]Cc1cccc(c1)-n1cccn1
COc1nn(C)cc1C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 COc1nn(C)cc1[*:1] O=C1Cc2cc(cc3CCCN1c32)NC(=O)[*:1]
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 CC(C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[*:1]
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 Clc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3ccccc3c2=O)cc1 NC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3ccccc3c2=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3ccccc3c2=O)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
C[C@H](C#N)Oc1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 C[C@H](C#N)O[*:1] FC(F)(F)C1(CCN(Cc2ccc(cc2)[*:1])C1)C(F)(F)F
C[C@H](C#N)Oc1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 FC(F)(F)[*:1] C[C@H](C#N)Oc1ccc(cc1)CN1CCC(C1)(C(F)(F)F)[*:1]
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)Nc1nccs1)C2 c1csc(n1)[*:1] CC(C)(C)c1cc(=O)n2C[C@H](CSc2n1)C(=O)N[*:1]
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)Nc1nccs1)C2 CC(C)(C)[*:1] O=C(Nc1nccs1)[C@H]1CSc2nc(cc(=O)n2C1)[*:1]
C[NH2+][C@H](c1ccn(CC(=O)NCC(C)C)c1)C(C)C CC(C)[*:1] C[NH2+][C@H](c1ccn(c1)CC(=O)NCC(C)C)[*:1]
C[NH2+][C@H](c1ccn(CC(=O)NCC(C)C)c1)C(C)C CC(C)[*:1] C[NH2+][C@H](c1ccn(c1)CC(=O)NC[*:1])C(C)C
C[NH2+][C@H](c1ccn(CC(=O)NCC(C)C)c1)C(C)C CC(C)C[*:1] C[NH2+][C@H](c1ccn(c1)CC(=O)N[*:1])C(C)C
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(F)c1F Fc1cccc(c1F)[*:1] N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1[*:1]
C[C@H]1CCC[C@@H](CN(C)CC(F)(F)F)C1 FC(F)(F)C[*:1] C[C@H]1CCC[C@H](C1)CN(C)[*:1]
C[C@H]1CCC[C@@H](CN(C)CC(F)(F)F)C1 FC(F)(F)[*:1] C[C@H]1CCC[C@H](C1)CN(C)C[*:1]
Cc1nc(C)c(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)c(=O)[nH]1 C[C@@H]1CCCC[C@H]1[*:1] Cc1nc(C)c(CC(=O)N(C)[*:1])c(=O)[nH]1
Cc1ccc(C[C@H](C)Nc2ccccc2S(C)(=O)=O)s1 CS(=O)(=O)[*:1] Cc1ccc(C[C@H](C)Nc2ccccc2[*:1])s1
Cc1ccc(C[C@H](C)Nc2ccccc2S(C)(=O)=O)s1 Cc1ccc(s1)[*:1] C[C@@H](C[*:1])Nc1ccccc1S(C)(=O)=O
O=C([O-])CCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 O=C([O-])[*:1] O=C(CC[*:1])Nc1ccc(cc1)C(=O)N1CCOCC1
O=C([O-])CCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 O=C([O-])C[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)N1CCOCC1
O=C([O-])CCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 O=C([O-])CC[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCOCC1
Cc1oc(-c2cccs2)nc1C[S@](=O)CC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] Cc1oc(nc1C[S@](=O)CC(=O)N[*:1])-c1cccs1
Cc1oc(-c2cccs2)nc1C[S@](=O)CC(=O)NC1CCCCC1 c1csc(c1)[*:1] Cc1oc(nc1C[S@](=O)CC(=O)NC1CCCCC1)[*:1]
CC[C@@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)OC c1ccc(cc1)O[*:1] CC[C@@H](NC(=O)c1ccccc1[*:1])C(=O)OC
CC[C@@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)c1ccccc1Oc1ccccc1)[*:1]
CC[C@@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)OC c1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ccccc1O[*:1])C(=O)OC
O=C(NCCCn1cc[nH+]c1)Nc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(NCCCn1cc[nH+]c1)Nc1ccccc1[*:1]
O=C(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCCCCC1
O=C(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1cccc(c1)S(=O)(=O)N1CCCCCC1
C=CCCC(=O)NCC1(c2ccc(OC)cc2)CCCC1 C=CCC[*:1] COc1ccc(cc1)C1(CCCC1)CNC(=O)[*:1]
C=CCCC(=O)NCC1(c2ccc(OC)cc2)CCCC1 C=CC[*:1] COc1ccc(cc1)C1(CCCC1)CNC(=O)C[*:1]
C=CCCC(=O)NCC1(c2ccc(OC)cc2)CCCC1 C=CCCC(=O)N[*:1] COc1ccc(cc1)C1(CCCC1)C[*:1]
CC(=O)[C@@H](C)Cn1nnc(-c2cccc(C(=O)OC(C)C)c2)n1 CC(C)OC(=O)[*:1] CC(=O)[C@@H](C)Cn1nnc(n1)-c1cccc(c1)[*:1]
CC(=O)[C@@H](C)Cn1nnc(-c2cccc(C(=O)OC(C)C)c2)n1 CC(=O)[*:1] CC(C)OC(=O)c1cccc(c1)-c1nnn(C[C@H](C)[*:1])n1
CC(=O)[C@@H](C)Cn1nnc(-c2cccc(C(=O)OC(C)C)c2)n1 CC(C)[*:1] CC(=O)[C@@H](C)Cn1nnc(n1)-c1cccc(c1)C(=O)O[*:1]
CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCCc2nc(C)sc21 c1ccc(cc1)[*:1] CC[C@H](CS(=O)(=O)[*:1])N[C@@H]1CCCc2nc(C)sc21
CO[C@@H](C)c1nc(C)c(Br)c(N)n1 CO[C@@H](C)[*:1] Cc1nc(nc(N)c1Br)[*:1]
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1CCC[NH3+] [NH3+]CCC[*:1] Cc1c(c(nn1[*:1])C(F)(F)F)[N+](=O)[O-]
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1CCC[NH3+] [NH3+]CC[*:1] Cc1c(c(nn1C[*:1])C(F)(F)F)[N+](=O)[O-]
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1CCC[NH3+] O=[N+]([O-])[*:1] Cc1c(c(nn1CCC[NH3+])C(F)(F)F)[*:1]
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1CCC[NH3+] FC(F)(F)[*:1] Cc1c(c(nn1CCC[NH3+])[*:1])[N+](=O)[O-]
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cn1 Clc1ccc(cc1Cl)[*:1] COc1ccc(cn1)NC(=O)[C@H]1CCCN1C(=O)[*:1]
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)cn1 COc1ccc(cn1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccccc1NS(=O)(=O)[*:1])N1CCC(CC1)c1c[nH]c2ccccc12
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)N1CCC(CC1)[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C3(c4ccc(OC)cc4)CCOCC3)cc21 C=CC[*:1] COc1ccc(cc1)C1(CCOCC1)C(=O)Nc1ccc2OCC(C)(C)C(=O)N(c2c1)[*:1]
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C3(c4ccc(OC)cc4)CCOCC3)cc21 COc1ccc(cc1)[*:1] C=CCN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)C1(CCOCC1)[*:1]
NC(=O)CNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 c1ccc(cc1)[*:1] NC(=O)CNC(=O)c1ccc(NC(=O)N[*:1])s1
NC(=O)CNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 NC(=O)C[*:1] O=C(Nc1ccccc1)Nc1ccc(s1)C(=O)N[*:1]
NC(=O)CNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 NC(=O)[*:1] O=C(Nc1ccccc1)Nc1ccc(s1)C(=O)NC[*:1]
NC(=O)CNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 NC(=O)CNC(=O)[*:1] O=C(Nc1ccccc1)Nc1ccc(s1)[*:1]
O=C(NCCCOCC1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NCCCOCC1CCOCC1)N1CCN(CC1)[*:1]
O=C(NCCCOCC1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 C1CC(CCO1)COC[*:1] O=C(NCC[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(NCCCOCC1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 C1CC(CCO1)CO[*:1] O=C(NCCC[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(NCCCOCC1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 C1CC(CCO1)C[*:1] O=C(NCCCO[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(NCCCOCC1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 C1CC(CCO1)[*:1] O=C(NCCCOC[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(NCCCN1CCO[C@H](C1)c1ccccc1)N[*:1]
O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCCCN1CCO[C@H](C1)c1ccccc1)NC[*:1]
O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)NCc1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(NCCCN1CCO[C@@H](C1)[*:1])NCc1ccc(Cl)cc1
CCN(C(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CN1C(=O)COc2cc(ccc21)C(C)(C)C)[*:1]
CCN(C(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21)c1ccccc1 CC(C)(C)[*:1] CCN(C(=O)CN1C(=O)COc2cc(ccc21)[*:1])c1ccccc1
COc1cc(C[NH2+]C2CCC(O)CC2)ccc1OCc1c(C)noc1C Cc1noc(C)c1C[*:1] COc1cc(ccc1O[*:1])C[NH2+]C1CCC(O)CC1
COc1cc(C[NH2+]C2CCC(O)CC2)ccc1OCc1c(C)noc1C Cc1noc(C)c1[*:1] COc1cc(ccc1OC[*:1])C[NH2+]C1CCC(O)CC1
Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(F)c2)C1 Cc1ccccc1C[*:1] C[C@@]1(CCCN(C1)C(=O)c1cccc(F)c1)C(=O)N[*:1]
Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(F)c2)C1 Cc1ccccc1[*:1] C[C@@]1(CCCN(C1)C(=O)c1cccc(F)c1)C(=O)NC[*:1]
Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C1)C(=O)[*:1]
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]12C CC(=O)OC[*:1] CC1(C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)[*:1]
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]12C CC(=O)OCC(=O)[*:1] CC1(C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@]2(O1)[*:1]
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]12C CC(=O)O[*:1] CC1(C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)C[*:1]
CCCn1c(=O)/c(=C\c2c(F)cccc2Cl)s/c1=C(/C#N)C(=O)C(C)C CCC[*:1] CC(C)C(=O)/C(C#N)=c1\s/c(=C/c2c(F)cccc2Cl)c(=O)n1[*:1]
CCCn1c(=O)/c(=C\c2c(F)cccc2Cl)s/c1=C(/C#N)C(=O)C(C)C CC(C)[*:1] CCCn1c(=O)/c(=C\c2c(F)cccc2Cl)s/c1=C(/C#N)C(=O)[*:1]
CCCn1c(=O)/c(=C\c2c(F)cccc2Cl)s/c1=C(/C#N)C(=O)C(C)C Fc1cccc(Cl)c1[*:1] CCCn1c(=O)c(=C[*:1])s/c1=C(/C#N)C(=O)C(C)C
CCCn1c(=O)/c(=C\c2c(F)cccc2Cl)s/c1=C(/C#N)C(=O)C(C)C CC(C)C(=O)[*:1] CCCn1c(=O)/c(=C\c2c(F)cccc2Cl)sc1=C(C#N)[*:1]
C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc[nH]2)C1 c1c[nH]c(c1)[*:1] C[C@H]1CN(C)c2ccccc2N(C1)C(=O)[*:1]
N#Cc1ccc(NC(=O)CCOC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] N#Cc1ccc(cc1)NC(=O)CCO[*:1]
N#Cc1ccc(NC(=O)CCOC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] N#Cc1ccc(cc1)NC(=O)CCOC[*:1]
Cc1cc(=O)cc(C)n1C[C@H]1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1cc(=O)cc(C)n1C[C@H]1CCCC[C@H]1[*:1]
CC1=C(C[C@@H]2C=C(C(=O)NCc3ccc(F)cc3)S[C@@H]2N2CCOCC2)[C@H](C)N=N1 C1CN(CCO1)[*:1] CC1N=N[C@@H](C)C=1C[C@@H]1C=C(S[C@H]1[*:1])C(=O)NCc1ccc(F)cc1
CC1=C(C[C@@H]2C=C(C(=O)NCc3ccc(F)cc3)S[C@@H]2N2CCOCC2)[C@H](C)N=N1 Fc1ccc(cc1)C[*:1] CC1N=N[C@@H](C)C=1C[C@@H]1C=C(S[C@@H]1N1CCOCC1)C(=O)N[*:1]
CC1=C(C[C@@H]2C=C(C(=O)NCc3ccc(F)cc3)S[C@@H]2N2CCOCC2)[C@H](C)N=N1 Fc1ccc(cc1)[*:1] CC1N=N[C@@H](C)C=1C[C@@H]1C=C(S[C@@H]1N1CCOCC1)C(=O)NC[*:1]
COc1ccccc1C(=O)NC[C@H](C)Oc1ccccc1C Cc1ccccc1[*:1] COc1ccccc1C(=O)NC[C@H](C)O[*:1]
Cc1cccc(NNC(=O)c2ccn(-c3ccc(F)cc3)n2)c1 Cc1cccc(c1)[*:1] O=C(NN[*:1])c1ccn(n1)-c1ccc(F)cc1
Cc1cccc(NNC(=O)c2ccn(-c3ccc(F)cc3)n2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)NNC(=O)c1ccn(n1)[*:1]
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)Cc2ccco2)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)C=C[*:1])C(=O)N(C)Cc1ccco1
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)Cc2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)C[*:1])cc1
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)Cc2ccco2)cc1 c1coc(c1)C[*:1] COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)[*:1])cc1
CCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(F)c2)CC1 CCC[*:1] O=S(=O)(NC1CC[NH+](CC1)[*:1])c1ccc(F)c(F)c1
COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cccc(c1)C(F)(F)F
COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1cccc(c1)C(F)(F)F
COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 FC(F)(F)c1cccc(c1)[*:1] COc1ccc(cc1)CNC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CNC(=O)[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H]2c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 Cc1cc(C)cc(c1)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H]1c1nnc(SCC(=O)N[*:1])n1C
Cc1ccc(C(=O)N2CCC[C@H]2c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 Cc1cc(C)cc(c1)NC(=O)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H]1c1nnc(SC[*:1])n1C
Cc1ccc(C(=O)N2CCC[C@H]2c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nnc([C@@H]2CCCN2C(=O)[*:1])n1C
C[S@@](=O)c1ccc(C[NH2+][C@H](c2cc(F)ccc2F)C2CC2)cc1 C[S@@](=O)[*:1] Fc1ccc(F)c(c1)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])C1CC1
C[S@@](=O)c1ccc(C[NH2+][C@H](c2cc(F)ccc2F)C2CC2)cc1 C1CC1[*:1] C[S@@](=O)c1ccc(cc1)C[NH2+][C@H](c1cc(F)ccc1F)[*:1]
[O-]c1nc(N2CCN(c3cccc[nH+]3)CC2)nnc1Cc1ccc(Cl)cc1Cl Clc1ccc(C[*:1])c(Cl)c1 [O-]c1nc(nnc1[*:1])N1CCN(CC1)c1cccc[nH+]1
[O-]c1nc(N2CCN(c3cccc[nH+]3)CC2)nnc1Cc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] [O-]c1nc(nnc1C[*:1])N1CCN(CC1)c1cccc[nH+]1
CN(C(=O)[C@H]1C[C@@H]2C=C[C@H]1C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)C[*:1] CN(C(=O)[C@H]1C[C@@H]2C=C[C@H]1C2)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CN(C(=O)[C@H]1C[C@@H]2C=C[C@H]1C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O c1ccc(cc1)[*:1] CN(C(=O)[C@H]1C[C@@H]2C=C[C@H]1C2)c1c(N)n(C[*:1])c(=O)[nH]c1=O
COc1nc2ccccc2cc1CN1CCC[C@H](c2nncn2C)C1 Cn1cnnc1[*:1] COc1nc2ccccc2cc1CN1CCC[C@H](C1)[*:1]
O=C(Nc1c(F)cc(F)cc1F)N[C@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(Nc1c(F)cc(F)cc1F)N[C@H]1C=C[C@H](C1)[*:1]
C[C@H]1CN(C(=O)c2occc2-c2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1occc1[*:1]
CC(C)Oc1ccc([C@H]2OCC[C@@H]2C[NH2+]C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)Oc1ccc(cc1)[C@H]1OCC[C@@H]1C[NH2+][*:1]
CC(C)Oc1ccc([C@H]2OCC[C@@H]2C[NH2+]C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)[NH2+]C[C@H]1CCO[C@@H]1c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@H]2OCC[C@@H]2C[NH2+]C(C)(C)C)cc1 CC(C)O[*:1] CC(C)(C)[NH2+]C[C@H]1CCO[C@@H]1c1ccc(cc1)[*:1]
Fc1cccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)c1F c1csc(n1)[*:1] Fc1cccc(c1F)[C@@H]1N[C@H](Cc2ccsc21)[*:1]
CC(=O)c1cccc(N2C(SCC(=O)Nc3cc(C)ccc3C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 CC(=O)c1cccc(c1)[*:1] Cc1ccc(C)c(c1)NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CC(=O)c1cccc(N2C(SCC(=O)Nc3cc(C)ccc3C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 Cc1ccc(C)c(c1)[*:1] CC(=O)c1cccc(c1)N1C(=N[C@@H]2CS(=O)(=O)C[C@@H]21)SCC(=O)N[*:1]
CC(=O)c1cccc(N2C(SCC(=O)Nc3cc(C)ccc3C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 CC(=O)[*:1] Cc1ccc(C)c(c1)NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(c1)[*:1]
O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N(C[*:1])C1CC1
O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N(Cc1ccccc1)[*:1]
O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N(C1CC1)[*:1]
O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCO[C@H]1[*:1])N(Cc1ccccc1)C1CC1
CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 Fc1ccc(c(F)c1)[*:1] CC[NH+]1CCN(CC1)[C@H](C)C[NH2+]Cc1c(C)nn(c1C)[*:1]
CCN(C)C(=O)Nc1ccc(COc2ccccc2)cc1 CCN(C)C(=O)N[*:1] c1ccc(cc1)OCc1ccc(cc1)[*:1]
CCN(C)C(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)[*:1] CCN(C)C(=O)Nc1ccc(cc1)CO[*:1]
CCN(C)C(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)O[*:1] CCN(C)C(=O)Nc1ccc(cc1)C[*:1]
COC(=O)c1ccccc1-n1cccc1C=O COC(=O)[*:1] O=Cc1cccn1-c1ccccc1[*:1]
NC(=O)C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] NC(=O)C(=O)Nc1ccccc1[*:1]
NNc1cccc(CN2CCN(c3nccs3)CC2)[nH+]1 c1csc(n1)[*:1] NNc1cccc(CN2CCN(CC2)[*:1])[nH+]1
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(Br)cc1O CCO[*:1] N#C/C(=C\c1cc(c(O)cc1Br)[*:1])C(=O)Nc1ccccc1F
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(Br)cc1O Fc1ccccc1[*:1] CCOc1cc(/C=C(\C#N)C(=O)N[*:1])c(Br)cc1O
CO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)NC1CC1 C1CC1[*:1] CO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N[*:1]
O=C([O-])[C@H]1CC[C@@H](CNc2cc(C(F)(F)F)ccn2)O1 FC(F)(F)[*:1] O=C([O-])[C@H]1CC[C@@H](CNc2cc(ccn2)[*:1])O1
O=C([O-])[C@H]1CC[C@@H](CNc2cc(C(F)(F)F)ccn2)O1 O=C([O-])[*:1] FC(F)(F)c1ccnc(c1)NC[C@@H]1CC[C@@H](O1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)NC[C@@H]1CCCC[C@H]1C c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)NC[C@@H]1CCCC[C@H]1C
CC(C)NC(=O)COc1ccc(NC(=O)C2CC2)cn1 C1CC1[*:1] CC(C)NC(=O)COc1ccc(cn1)NC(=O)[*:1]
CC(C)NC(=O)COc1ccc(NC(=O)C2CC2)cn1 CC(C)NC(=O)[*:1] O=C(Nc1ccc(nc1)OC[*:1])C1CC1
CC(C)NC(=O)COc1ccc(NC(=O)C2CC2)cn1 O=C(N[*:1])C1CC1 CC(C)NC(=O)COc1ccc(cn1)[*:1]
CC(C)NC(=O)COc1ccc(NC(=O)C2CC2)cn1 CC(C)[*:1] O=C(COc1ccc(cn1)NC(=O)C1CC1)N[*:1]
Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)s1 Cc1ccc(s1)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1ccc(F)cc1F
Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)s1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(NC(=O)N2CCN(CC2)C(=O)[*:1])s1
C[C@H]1CCC[C@@H](NC(=O)Cn2cc(N)cn2)[C@@H]1C Nc1cnn(c1)[*:1] C[C@H]1CCC[C@@H](NC(=O)C[*:1])[C@@H]1C
N#CC1(C#N)[C@H](c2ccc(Br)cc2)[C@@H](C(N)=O)N2C=Cc3ccccc3[C@H]21 NC(=O)[*:1] N#CC1(C#N)[C@H](c2ccc(Br)cc2)[C@@H](N2C=Cc3ccccc3[C@H]21)[*:1]
N#CC1(C#N)[C@H](c2ccc(Br)cc2)[C@@H](C(N)=O)N2C=Cc3ccccc3[C@H]21 Brc1ccc(cc1)[*:1] N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@H](C(N)=O)[C@@H]1[*:1]
COC(=O)Cc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1 COC(=O)[*:1] O=C(Cn1cccc(c1=O)C(F)(F)F)Nc1ccc(cc1)C[*:1]
COC(=O)Cc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1 FC(F)(F)[*:1] COC(=O)Cc1ccc(cc1)NC(=O)Cn1cccc(c1=O)[*:1]
COC(=O)Cc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1 COC(=O)C[*:1] O=C(Cn1cccc(c1=O)C(F)(F)F)Nc1ccc(cc1)[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)O[*:1]
CCc1cnc2c(c1SCc1ccccc1C)c(=O)n(C)c(=O)n2C Cc1ccccc1C[*:1] CCc1cnc2c(c1S[*:1])c(=O)n(C)c(=O)n2C
CCc1cnc2c(c1SCc1ccccc1C)c(=O)n(C)c(=O)n2C Cc1ccccc1[*:1] CCc1cnc2c(c1SC[*:1])c(=O)n(C)c(=O)n2C
CN(Cc1ccco1)C(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccccc1Cl)C2 Clc1ccccc1[*:1] CN(Cc1ccco1)C(=O)c1ncn2C[C@](C)(C(=O)NC[*:1])N(C(=O)c12)C1CC1
CN(Cc1ccco1)C(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccccc1Cl)C2 C1CC1[*:1] CN(Cc1ccco1)C(=O)c1ncn2C[C@](C)(C(=O)NCc3ccccc3Cl)N(C(=O)c12)[*:1]
CN(Cc1ccco1)C(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccccc1Cl)C2 CN(Cc1ccco1)C(=O)[*:1] C[C@@]1(Cn2cnc(c2C(=O)N1C1CC1)[*:1])C(=O)NCc1ccccc1Cl
CN(Cc1ccco1)C(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccccc1Cl)C2 O=C(NCc1ccccc1Cl)[*:1] CN(Cc1ccco1)C(=O)c1ncn2C[C@](C)(N(C(=O)c12)C1CC1)[*:1]
CN(Cc1ccco1)C(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccccc1Cl)C2 Clc1ccccc1C[*:1] CN(Cc1ccco1)C(=O)c1ncn2C[C@](C)(C(=O)N[*:1])N(C(=O)c12)C1CC1
CN(Cc1ccco1)C(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccccc1Cl)C2 c1coc(c1)C[*:1] CN(C(=O)c1ncn2C[C@](C)(C(=O)NCc3ccccc3Cl)N(C(=O)c12)C1CC1)[*:1]
CN(Cc1ccco1)C(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccccc1Cl)C2 c1coc(c1)[*:1] CN(C[*:1])C(=O)c1ncn2C[C@](C)(C(=O)NCc3ccccc3Cl)N(C(=O)c12)C1CC1
COc1ccc2c(C)c(CC(=O)N[C@@H](CSC)C(=O)[O-])c(=O)oc2c1C O=C([O-])[*:1] COc1ccc2c(C)c(CC(=O)N[C@@H](CSC)[*:1])c(=O)oc2c1C
COc1ccc2c(C)c(CC(=O)N[C@@H](CSC)C(=O)[O-])c(=O)oc2c1C CSC[*:1] COc1ccc2c(C)c(CC(=O)N[C@@H](C(=O)[O-])[*:1])c(=O)oc2c1C
COC(=O)[C@@H](NC(=O)CCC(=O)[O-])c1cccc2ccccc12 O=C([O-])[*:1] COC(=O)[C@@H](NC(=O)CC[*:1])c1cccc2ccccc12
COC(=O)[C@@H](NC(=O)CCC(=O)[O-])c1cccc2ccccc12 COC(=O)[*:1] O=C([O-])CCC(=O)N[C@@H](c1cccc2ccccc12)[*:1]
COC(=O)[C@@H](NC(=O)CCC(=O)[O-])c1cccc2ccccc12 O=C([O-])C[*:1] COC(=O)[C@@H](NC(=O)C[*:1])c1cccc2ccccc12
COC(=O)[C@@H](NC(=O)CCC(=O)[O-])c1cccc2ccccc12 O=C([O-])CC[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1cccc2ccccc12
COS(=O)(=O)c1ccc2c(c1C)OC(C)(C)CC2=O COS(=O)(=O)[*:1] Cc1c(ccc2C(=O)CC(C)(C)Oc21)[*:1]
CC[C@@H](C)c1noc([C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 c1csc(c1)C[*:1] CC[C@@H](C)c1noc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
CC[C@@H](C)c1noc([C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 c1csc(c1)[*:1] CC[C@@H](C)c1noc(n1)[C@H]1CCCN(C1)C(=O)C[*:1]
CC[C@@H](C)c1noc([C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 CC[C@@H](C)[*:1] O=C(Cc1cccs1)N1CCC[C@@H](C1)c1nc(no1)[*:1]
CCc1ccccc1NC(=O)Nc1ccc(N2CCC[C@H](C(=O)NC)C2)[nH+]c1 CCc1ccccc1[*:1] CNC(=O)[C@H]1CCCN(C1)c1ccc(c[nH+]1)NC(=O)N[*:1]
CCc1ccccc1NC(=O)Nc1ccc(N2CCC[C@H](C(=O)NC)C2)[nH+]c1 CNC(=O)[*:1] CCc1ccccc1NC(=O)Nc1ccc([nH+]c1)N1CCC[C@H](C1)[*:1]
O=C(C=C1CCSCC1)N(CCC(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] O=C(C=C1CCSCC1)N(CCC(F)(F)F)[*:1]
O=C(C=C1CCSCC1)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)CC[*:1] O=C(C=C1CCSCC1)N(C1CCCC1)[*:1]
O=C(C=C1CCSCC1)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)[*:1] O=C(C=C1CCSCC1)N(CC[*:1])C1CCCC1
O=C(C=C1CCSCC1)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)C[*:1] O=C(C=C1CCSCC1)N(C[*:1])C1CCCC1
Cn1cc(C#N)c(=O)c2cc(F)c(N3CCCCCC3)cc21 C1CCCN(CC1)[*:1] Cn1cc(C#N)c(=O)c2cc(F)c(cc21)[*:1]
Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1 Fc1ccc(c(F)c1)[*:1] Cc1nc(cc(n1)N1CCN(CC1)S(=O)(=O)[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1 C1CN(CCO1)[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1F
C[C@H]1CN([C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)C[C@@H](C)O1 ClC(Cl)(Cl)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@@H](NC(=O)c1ccco1)[*:1]
C[C@H]1CN([C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)C[C@@H](C)O1 c1coc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@@H](NC(=O)[*:1])C(Cl)(Cl)Cl
O=C(NCc1ccc(-n2ccnc2)nc1)c1cn2cccnc2n1 c1cn(cn1)[*:1] O=C(NCc1ccc(nc1)[*:1])c1cn2cccnc2n1
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1 Clc1ccc(cc1)[*:1] O=C(NNS(=O)(=O)[*:1])NC1CCCCC1
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NNS(=O)(=O)c1ccc(Cl)cc1)N[*:1]
CNc1cc[nH+]c(CN(C)Cc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] CNc1cc[nH+]c(c1)CN(C)C[*:1]
N[C@H](C[NH3+])c1ccccc1OCC(=O)[O-] O=C([O-])[*:1] N[C@H](C[NH3+])c1ccccc1OC[*:1]
N[C@H](C[NH3+])c1ccccc1OCC(=O)[O-] O=C([O-])CO[*:1] N[C@H](C[NH3+])c1ccccc1[*:1]
N[C@H](C[NH3+])c1ccccc1OCC(=O)[O-] O=C([O-])C[*:1] N[C@H](C[NH3+])c1ccccc1O[*:1]
O=C([O-])C[C@@H]1CN([C@H]2CCCc3sccc32)CCO1 O=C([O-])C[*:1] c1cc2c(CCC[C@@H]2N2CCO[C@@H](C2)[*:1])s1
O=C([O-])C[C@@H]1CN([C@H]2CCCc3sccc32)CCO1 O=C([O-])[*:1] c1cc2c(CCC[C@@H]2N2CCO[C@@H](C2)C[*:1])s1
Cc1n[nH]c2ncc(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)cc12 c1ccc(cc1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NC[C@H]1CCCO[C@H]1[*:1]
CS[C@@H]1CCC[C@H]1NC(=O)N1CC=C(c2cccs2)CC1 c1csc(c1)[*:1] CS[C@@H]1CCC[C@H]1NC(=O)N1CC=C(CC1)[*:1]
CC(=O)Nc1cccc(NC(=O)N2CCCCC[C@@H]2CC(C)C)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)N1CCCCC[C@@H]1CC(C)C
CC(=O)Nc1cccc(NC(=O)N2CCCCC[C@@H]2CC(C)C)c1C CC(C)[*:1] CC(=O)Nc1cccc(NC(=O)N2CCCCC[C@@H]2C[*:1])c1C
CC(=O)Nc1cccc(NC(=O)N2CCCCC[C@@H]2CC(C)C)c1C CC(C)C[*:1] CC(=O)Nc1cccc(NC(=O)N2CCCCC[C@H]2[*:1])c1C
Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)Nc3ccccc3Cl)CC1)CCO2 Clc1ccccc1[*:1] Cc1ccc2OCCN(C(=O)N3CCC(CC3)C(=O)N[*:1])c2c1
CC(C)CC[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1 CC(C)[*:1] C[C@@H](CC[*:1])[NH2+]CC(=O)Nc1ccc(Cl)cc1
CC(C)CC[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1 CC(C)C[*:1] C[C@@H](C[*:1])[NH2+]CC(=O)Nc1ccc(Cl)cc1
CC(C)CC[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1 CC(C)CC[*:1] C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)[*:1]
CCC[C@H](C(N)=[NH2+])N1CCN(C(=O)N(CC)CC)CC1 CCC[*:1] CCN(CC)C(=O)N1CCN(CC1)[C@@H](C(N)=[NH2+])[*:1]
CCC[C@H](C(N)=[NH2+])N1CCN(C(=O)N(CC)CC)CC1 NC(=[NH2+])[*:1] CCC[C@H](N1CCN(CC1)C(=O)N(CC)CC)[*:1]
CSC[C@](C)(O)CNC(=O)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] CSC[C@](C)(O)CNC(=O)Nc1ccn(n1)[*:1]
CSC[C@](C)(O)CNC(=O)Nc1ccn(-c2ncccc2Cl)n1 CSC[*:1] C[C@](O)(CNC(=O)Nc1ccn(n1)-c1ncccc1Cl)[*:1]
CCCN(CC)[C@H](C[NH3+])[C@@H]1CCOC1 CCC[*:1] CCN([C@H](C[NH3+])[C@@H]1CCOC1)[*:1]
CCOC(=O)C1(NC(=O)[C@H]2C[C@@H]2OCC)CCCCC1 CCOC(=O)[*:1] CCO[C@H]1C[C@@H]1C(=O)NC1(CCCCC1)[*:1]
CCOC(=O)C1(NC(=O)[C@H]2C[C@@H]2OCC)CCCCC1 CCO[*:1] CCOC(=O)C1(CCCCC1)NC(=O)[C@H]1C[C@H]1[*:1]
CN1C(=O)C[C@H](NC(=O)N2CCN(C3CC3)C(=O)C2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)N2CCN(C(=O)C2)C2CC2)[C@H]1[*:1]
CN1C(=O)C[C@H](NC(=O)N2CCN(C3CC3)C(=O)C2)[C@@H]1c1ccc(Cl)cc1 C1CC1[*:1] CN1C(=O)C[C@H](NC(=O)N2CCN(C(=O)C2)[*:1])[C@@H]1c1ccc(Cl)cc1
COc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC Cc1ccc(cc1)[*:1] COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC(=O)N(C1)[*:1]
COc1cccc(CN2CCO[C@H](c3nc(C)cs3)C2)c1OC(C)C CC(C)[*:1] COc1cccc(CN2CCO[C@@H](C2)c2nc(C)cs2)c1O[*:1]
COc1cccc(CN2CCO[C@H](c3nc(C)cs3)C2)c1OC(C)C Cc1csc(n1)[*:1] COc1cccc(CN2CCO[C@H](C2)[*:1])c1OC(C)C
COc1cccc(CN2CCO[C@H](c3nc(C)cs3)C2)c1OC(C)C CC(C)O[*:1] COc1cccc(CN2CCO[C@@H](C2)c2nc(C)cs2)c1[*:1]
CN1C(=O)c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2C1=O O=[N+]([O-])[*:1] CN1C(=O)c2ccc(cc2C1=O)NC(=O)c1ccc(o1)-c1cccc(c1)[*:1]
CN1C(=O)c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2C1=O O=[N+]([O-])c1cccc(c1)[*:1] CN1C(=O)c2ccc(cc2C1=O)NC(=O)c1ccc(o1)[*:1]
COc1ccc(C(=O)CSc2n[nH]c(=O)n2-c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1n[nH]c(=O)n1-c1ccccc1)[*:1]
COc1ccc(C(=O)CSc2n[nH]c(=O)n2-c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)CSc1n[nH]c(=O)n1[*:1]
CN(C)C(=O)c1ccc(NC(=O)COc2cccc(C#N)c2)cc1 CN(C)C(=O)[*:1] N#Cc1cccc(c1)OCC(=O)Nc1ccc(cc1)[*:1]
CN(C)C(=O)c1ccc(NC(=O)COc2cccc(C#N)c2)cc1 N#Cc1cccc(c1)[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)CO[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)Cc1cccc(OC)c1 COc1cccc(c1)[*:1] CCNC(=O)c1ccc(Cl)cc1NC(=O)C[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)Cc1cccc(OC)c1 CCNC(=O)[*:1] COc1cccc(c1)CC(=O)Nc1cc(Cl)ccc1[*:1]
COc1cccc(OC)c1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1cccc(OC)c1C(=O)NCC[NH+]1CCN(CC1)[*:1]
CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 CC(=O)NC(=S)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1Cl
CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CC(=O)NC(=S)Nc1ccc(cc1)NC(=O)[*:1]
COCCn1nc(C)c(NC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C)[*:1]
COCCn1nc(C)c(NC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C
N#Cc1cccc(C(=O)N2CCC[C@@H]2C(N)=O)c1 NC(=O)[*:1] N#Cc1cccc(c1)C(=O)N1CCC[C@H]1[*:1]
Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccc2ccccc2n1 c1cnc2sc(nc2c1)[*:1] Cc1ccc(cc1NC(=O)c1ccc2ccccc2n1)[*:1]
O[C@@H](C[NH2+]Cc1ccco1)C1CCOCC1 c1coc(c1)[*:1] O[C@@H](C[NH2+]C[*:1])C1CCOCC1
Cc1ccc(N2CC[C@H](C(=O)N[C@H](CO)c3ccccc3F)C2=O)cc1C Fc1ccccc1[*:1] Cc1ccc(cc1C)N1CC[C@H](C(=O)N[C@H](CO)[*:1])C1=O
Cc1ccc(N2CC[C@H](C(=O)N[C@H](CO)c3ccccc3F)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(N[C@H](CO)c1ccccc1F)[C@H]1CCN(C1=O)[*:1]
CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](CC)c2c(C)nn(C)c2C)C1 Cc1nn(C)c(C)c1[*:1] CCNC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](CC)[*:1]
CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](CC)c2c(C)nn(C)c2C)C1 CCNC(=O)[*:1] CC[C@H](NC(=O)N1CCC[C@H](C1)[*:1])c1c(C)nn(C)c1C
CC[C@H](C)CN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1Cl CC[C@H](C)C[*:1] CCN(C(=O)Nc1ccc(cc1Cl)C(=O)[O-])[*:1]
CC[C@H](C)CN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1Cl O=C([O-])[*:1] CC[C@H](C)CN(CC)C(=O)Nc1ccc(cc1Cl)[*:1]
CC[C@H](C)CN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1Cl CC[C@H](C)[*:1] CCN(C[*:1])C(=O)Nc1ccc(cc1Cl)C(=O)[O-]
C=CCNc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] C=CCN[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
C=CCNc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C=CCNc1ccc(cc1[*:1])S(=O)(=O)N1CCC(C)CC1
C=CCNc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] C=CC[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
CC[C@@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)[*:1]
CNc1cc(C)ccc1C(=O)N[C@H](C)C1CCCC1 C1CCC(C1)[*:1] CNc1cc(C)ccc1C(=O)N[C@H](C)[*:1]
COc1cc(C(C)=O)ccc1OCc1nc(C(C)(C)OC)no1 CC(=O)[*:1] COc1cc(ccc1OCc1nc(no1)C(C)(C)OC)[*:1]
COc1cc(C(C)=O)ccc1OCc1nc(C(C)(C)OC)no1 COC(C)(C)[*:1] COc1cc(ccc1OCc1nc(no1)[*:1])C(C)=O
O=C([O-])[C@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)Cn1cnnn1 O=C([O-])[*:1] O=C(Cn1cnnn1)N1[C@@H]2CCCC[C@H]2CC[C@@H]1[*:1]
O=C([O-])[C@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)Cn1cnnn1 c1nnnn1[*:1] O=C([O-])[C@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)C[*:1]
O=C([O-])[C@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)Cn1cnnn1 c1nnnn1C[*:1] O=C([O-])[C@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)[*:1]
CCn1c(S[C@H](C)C(=O)NCc2cccc(OC)c2)nc2ccccc2c1=O COc1cccc(c1)[*:1] CCn1c(nc2ccccc2c1=O)S[C@H](C)C(=O)NC[*:1]
CCn1c(S[C@H](C)C(=O)NCc2cccc(OC)c2)nc2ccccc2c1=O COc1cccc(c1)C[*:1] CCn1c(nc2ccccc2c1=O)S[C@H](C)C(=O)N[*:1]
O=C(Cn1nc(-c2ccccc2)ccc1=O)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N(CCO)Cc1ccccc1
O=C(Cn1nc(-c2ccccc2)ccc1=O)N(CCO)Cc1ccccc1 OCC[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1)N(Cc1ccccc1)[*:1]
O=C(Cn1nc(-c2ccccc2)ccc1=O)N(CCO)Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1)N(CCO)[*:1]
O=C(Cn1nc(-c2ccccc2)ccc1=O)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)-c1ccccc1)N(CCO)C[*:1]
COCCCOc1cccc(CNC(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 COC[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCc1cccc(c1)OCC[*:1]
COCCCOc1cccc(CNC(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 COCC[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCc1cccc(c1)OC[*:1]
COCCCOc1cccc(CNC(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 COCCCO[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCc1cccc(c1)[*:1]
COCCCOc1cccc(CNC(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 COCCC[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NCc1cccc(c1)O[*:1]
C[C@H](c1ccc(C(=O)[O-])o1)[NH+]1Cc2ccccc2C1 O=C([O-])[*:1] C[C@H](c1ccc(o1)[*:1])[NH+]1Cc2ccccc2C1
Cc1oc(C)c(C(=O)OCC(=O)c2oc3ccccc3c2C)c1C Cc1oc(C)c(c1C)[*:1] Cc1c(oc2ccccc12)C(=O)COC(=O)[*:1]
C[C@@H]1CCC[C@H](C[NH2+]CCCNC(=O)C2CCC2)C1 C1CC(C1)[*:1] C[C@@H]1CCC[C@H](C[NH2+]CCCNC(=O)[*:1])C1
CC(C)[C@@H](C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)N1CC[NH+](C)CC1 c1ccc(cc1)[*:1] CC(C)[C@@H](C[NH2+][C@H]1CN(C[*:1])C(C)(C)C1)N1CC[NH+](C)CC1
CC(C)[C@@H](C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)[*:1]
CC(C)[C@@H](C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)N1CC[NH+](C)CC1 c1ccc(cc1)C[*:1] CC(C)[C@@H](C[NH2+][C@H]1CN(C(C)(C)C1)[*:1])N1CC[NH+](C)CC1
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])N/N=C/c1cc(ccc1Cl)[N+](=O)[O-]
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(ccc1Cl)[*:1]
O=C(NCc1cccnc1-n1cnc2ccccc21)c1n[nH]c2c1CCC2 c1ccc2c(c1)ncn2[*:1] O=C(NCc1cccnc1[*:1])c1n[nH]c2CCCc12
O=C(NCc1cccnc1-n1cnc2ccccc21)c1n[nH]c2c1CCC2 C1Cc2[nH]nc(c2C1)[*:1] O=C(NCc1cccnc1-n1cnc2ccccc21)[*:1]
O=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)N(F)S(=O)(=O)[*:1]
COc1ccc(CC(=O)N/N=C(/c2ccccc2)c2ccncc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CC(=O)N/N=C(\c1ccncc1)[*:1]
COc1ccc(CC(=O)N/N=C(/c2ccccc2)c2ccncc2)cc1 COc1ccc(cc1)[*:1] O=C(C[*:1])N/N=C(/c1ccccc1)c1ccncc1
COc1ccc(CC(=O)N/N=C(/c2ccccc2)c2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)CC(=O)NN=C(c1ccccc1)[*:1]
CCCCNc1ccc(C(=O)Nc2ccccc2)nn1 CCCCN[*:1] O=C(Nc1ccccc1)c1ccc(nn1)[*:1]
CCCCNc1ccc(C(=O)Nc2ccccc2)nn1 CCCC[*:1] O=C(Nc1ccccc1)c1ccc(nn1)N[*:1]
CCCCNc1ccc(C(=O)Nc2ccccc2)nn1 c1ccc(cc1)[*:1] CCCCNc1ccc(nn1)C(=O)N[*:1]
CCCCNc1ccc(C(=O)Nc2ccccc2)nn1 CCC[*:1] O=C(Nc1ccccc1)c1ccc(nn1)NC[*:1]
C[C@H]1OCC[C@H]1C(=O)N[C@H](C(N)=O)c1ccccc1 NC(=O)[*:1] C[C@H]1OCC[C@H]1C(=O)N[C@H](c1ccccc1)[*:1]
C[C@H]1OCC[C@H]1C(=O)N[C@H](C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@H]1C(=O)N[C@H](C(N)=O)[*:1]
COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCc2ccc(C(=O)[O-])cc2)n1 COc1cc(F)ccc1[*:1] O=C(Cn1nc(ccc1=O)[*:1])NCc1ccc(cc1)C(=O)[O-]
COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCc2ccc(C(=O)[O-])cc2)n1 O=C([O-])c1ccc(cc1)[*:1] COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NC[*:1])n1
COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCc2ccc(C(=O)[O-])cc2)n1 O=C([O-])[*:1] COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCc2ccc(cc2)[*:1])n1
COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCc2ccc(C(=O)[O-])cc2)n1 O=C([O-])c1ccc(cc1)C[*:1] COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[*:1])n1
Cc1ccc(CNC(=O)[C@H](C[NH3+])CC(C)C)n1C CC(C)C[*:1] Cc1ccc(CNC(=O)[C@H](C[NH3+])[*:1])n1C
Cc1ccc(CNC(=O)[C@H](C[NH3+])CC(C)C)n1C CC(C)[*:1] Cc1ccc(CNC(=O)[C@H](C[NH3+])C[*:1])n1C
COc1ccc(Cl)cc1NC(=O)Cn1nc(SC)c(S(=O)(=O)c2ccc(F)cc2)c1N O=S(=O)(c1ccc(F)cc1)[*:1] COc1ccc(Cl)cc1NC(=O)Cn1nc(SC)c(c1N)[*:1]
COc1ccc(Cl)cc1NC(=O)Cn1nc(SC)c(S(=O)(=O)c2ccc(F)cc2)c1N COc1ccc(Cl)cc1[*:1] CSc1nn(CC(=O)N[*:1])c(N)c1S(=O)(=O)c1ccc(F)cc1
COc1ccc(Cl)cc1NC(=O)Cn1nc(SC)c(S(=O)(=O)c2ccc(F)cc2)c1N Fc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)Cn1nc(SC)c(c1N)S(=O)(=O)[*:1]
CCOc1ccccc1-c1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 C1CC1[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)Nc1nnc(s1)[*:1]
CCOc1ccccc1-c1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 C1CC1c1nnc(s1)[*:1] CCOc1ccccc1-c1cccc(c1)C(=O)N[*:1]
CCOc1ccccc1-c1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 CCO[*:1] O=C(Nc1nnc(s1)C1CC1)c1cccc(c1)-c1ccccc1[*:1]
CCCC1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 CCCC1(CC1)[*:1] O=C(c1ccccc1Cl)N1CCC(CC1)[NH2+]C[*:1]
CCCC1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 Clc1ccccc1[*:1] CCCC1(CC1)C[NH2+]C1CCN(CC1)C(=O)[*:1]
CCCC1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 CCC[*:1] O=C(c1ccccc1Cl)N1CCC(CC1)[NH2+]CC1(CC1)[*:1]
O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1cn(CCC[*:1])nn1 O=C(N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)[*:1]
O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCCn1ccnn1)N1CCN(CC1)S(=O)(=O)[*:1]
CC[NH2+][C@@H]1[C@H](CN2CCOCC2)C(C)(C)OC1(C)C C1CN(CCO1)[*:1] CC[NH2+][C@@H]1[C@H](C[*:1])C(C)(C)OC1(C)C
Cc1nc(-c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)co1 Cc1nc(co1)[*:1] O=C(CCc1c[nH]c2ccccc12)Nc1ccc(cc1)[*:1]
CC1(C)C[C@@H](NC(=O)c2cc(Br)ccc2-n2cnnn2)CCO1 c1nnnn1[*:1] CC1(C)C[C@H](CCO1)NC(=O)c1cc(Br)ccc1[*:1]
O=C(/C=C1\CS[C@H](NC(=O)c2ccc[nH]c2=O)N1)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(/C=C1\CS[C@H](NC(=O)c2ccc[nH]c2=O)N1)N[*:1]
O=C(/C=C1\CS[C@H](NC(=O)c2ccc[nH]c2=O)N1)NCc1cccnc1 O=c1[nH]cccc1[*:1] O=C(/C=C1\CS[C@H](NC(=O)[*:1])N1)NCc1cccnc1
O=C(/C=C1\CS[C@H](NC(=O)c2ccc[nH]c2=O)N1)NCc1cccnc1 c1cncc(c1)[*:1] O=C(/C=C1\CS[C@H](NC(=O)c2ccc[nH]c2=O)N1)NC[*:1]
CC1(C)CN(Cc2csc(COc3ccc(F)cc3)n2)CC[S@@]1=O Fc1ccc(cc1)O[*:1] CC1(C)CN(CC[S@@]1=O)Cc1csc(C[*:1])n1
CC1(C)CN(Cc2csc(COc3ccc(F)cc3)n2)CC[S@@]1=O Fc1ccc(cc1)[*:1] CC1(C)CN(CC[S@@]1=O)Cc1csc(CO[*:1])n1
COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 COC(=O)[*:1] O=S(=O)(c1ccccc1[*:1])N1CCCCC1
CN(Cc1csc(Br)c1)C[C@H]1CSc2ccccc21 Brc1cc(cs1)[*:1] CN(C[C@H]1CSc2ccccc21)C[*:1]
CCc1cccc(NC(=O)[C@@H](C)O/N=C(/N)C(F)(F)F)c1 FC(F)(F)[*:1] CCc1cccc(c1)NC(=O)[C@@H](C)O/N=C(/N)[*:1]
CC/[NH+]=C(/NCc1csc(C2CC2)n1)N[C@H]1CCC[C@@H](C)C1 C1CC1[*:1] CC/[NH+]=C(/NCc1csc(n1)[*:1])N[C@H]1CCC[C@@H](C)C1
CC/[NH+]=C(/NCc1csc(C2CC2)n1)N[C@H]1CCC[C@@H](C)C1 C[C@@H]1CCC[C@@H](C1)[*:1] CC/[NH+]=C(/NCc1csc(n1)C1CC1)N[*:1]
COc1ccc(C2=NN=C[C@H]2CN2CCC[C@H]2[C@@H]2C=C(C(C)C)ON2)cc1 CC(C)[*:1] COc1ccc(cc1)C1=NN=C[C@H]1CN1CCC[C@H]1[C@@H]1C=C(ON1)[*:1]
COc1ccc(C2=NN=C[C@H]2CN2CCC[C@H]2[C@@H]2C=C(C(C)C)ON2)cc1 COc1ccc(cc1)[*:1] CC(C)C1=C[C@H](NO1)[C@@H]1CCCN1C[C@@H]1C=NN=C1[*:1]
COc1ccc(-c2c[nH]c([C@H]3CC(=O)N(C4CCCC4)C3)[nH+]2)c(F)c1 C1CCC(C1)[*:1] COc1ccc(-c2c[nH]c([nH+]2)[C@H]2CC(=O)N(C2)[*:1])c(F)c1
C[NH+](C)CCC1CC[NH+](CC(=O)N2CCN(c3ncccn3)CC2)CC1 c1cnc(nc1)[*:1] C[NH+](C)CCC1CC[NH+](CC1)CC(=O)N1CCN(CC1)[*:1]
CN(Cc1ccsc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N CC(C)(C)[*:1] CN(Cc1ccsc1)C(=O)C(=O)Nc1nn(cc1C#N)[*:1]
CN(Cc1ccsc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N c1cc(cs1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1nn(cc1C#N)C(C)(C)C
CN(Cc1ccsc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N c1cc(cs1)C[*:1] CN(C(=O)C(=O)Nc1nn(cc1C#N)C(C)(C)C)[*:1]
CC[C@](C)(C(=O)[O-])n1nnnc1-c1ccc(C)cc1C O=C([O-])[*:1] CC[C@](C)(n1nnnc1-c1ccc(C)cc1C)[*:1]
CCOc1ccc2c(c1)[C@@H](N[C@H](C)[C@H](O)c1ccc(OC)cc1)CCO2 CCO[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)N[C@H]1CCOc2ccc(cc21)[*:1]
CCOc1ccc2c(c1)[C@@H](N[C@H](C)[C@H](O)c1ccc(OC)cc1)CCO2 COc1ccc(cc1)[*:1] CCOc1ccc2OCC[C@H](N[C@H](C)[C@H](O)[*:1])c2c1
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 Clc1ccc(C=C[*:1])cc1 O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)[*:1]
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 Clc1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
Cc1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)cc1 Cc1ccc(cc1)[*:1] Nc1cc(nc(n1)-c1ccc(F)cc1)N[*:1]
Cc1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)Nc1cc(N)nc(n1)[*:1]
C[NH+](CCCC(=O)NN)CCS(C)(=O)=O NNC(=O)C[*:1] C[NH+](CCS(C)(=O)=O)CC[*:1]
C[NH+](CCCC(=O)NN)CCS(C)(=O)=O CS(=O)(=O)C[*:1] C[NH+](CCCC(=O)NN)C[*:1]
C[NH+](CCCC(=O)NN)CCS(C)(=O)=O NNC(=O)[*:1] C[NH+](CCC[*:1])CCS(C)(=O)=O
C[NH+](CCCC(=O)NN)CCS(C)(=O)=O CS(=O)(=O)[*:1] C[NH+](CCCC(=O)NN)CC[*:1]
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)c12 C1CC1[*:1] Cc1nn(c2nc(cc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)c12)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)c12 CC(C)[*:1] Cc1nn(c2nc(cc(C(=O)Nc3cnc4c(cnn4[*:1])c3)c12)C1CC1)[C@@H]1CCS(=O)(=O)C1
Clc1cc(Cl)cc(NCc2ccc(C3CC3)cc2)c1 C1CC1[*:1] Clc1cc(Cl)cc(c1)NCc1ccc(cc1)[*:1]
COc1ccc(CC(=O)N(Cc2cccc(Cl)c2)C(C)C)cc1OC Clc1cccc(c1)C[*:1] COc1ccc(cc1OC)CC(=O)N(C(C)C)[*:1]
COc1ccc(CC(=O)N(Cc2cccc(Cl)c2)C(C)C)cc1OC CC(C)[*:1] COc1ccc(cc1OC)CC(=O)N(Cc1cccc(Cl)c1)[*:1]
COc1ccc(CC(=O)N(Cc2cccc(Cl)c2)C(C)C)cc1OC Clc1cccc(c1)[*:1] COc1ccc(cc1OC)CC(=O)N(C[*:1])C(C)C
O=C(NN1C(=O)CCC1=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NN1C(=O)CCC1=O)c1ccccc1[*:1]
COCCN(Cc1cccnc1)C(=O)c1ccc(NC=O)cc1 c1cncc(c1)[*:1] COCCN(C[*:1])C(=O)c1ccc(cc1)NC=O
COCCN(Cc1cccnc1)C(=O)c1ccc(NC=O)cc1 c1cncc(c1)C[*:1] COCCN(C(=O)c1ccc(cc1)NC=O)[*:1]
COCCN(Cc1cccnc1)C(=O)c1ccc(NC=O)cc1 COCC[*:1] O=CNc1ccc(cc1)C(=O)N(Cc1cccnc1)[*:1]
COCCN(Cc1cccnc1)C(=O)c1ccc(NC=O)cc1 O=CN[*:1] COCCN(Cc1cccnc1)C(=O)c1ccc(cc1)[*:1]
COCCN(Cc1cccnc1)C(=O)c1ccc(NC=O)cc1 COC[*:1] O=CNc1ccc(cc1)C(=O)N(Cc1cccnc1)C[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c1 CC(=O)[*:1] Cc1cc(=O)n(c2c1c(C)nn2-c1ccccc1)[C@H](C)C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c1 CC(=O)c1cccc(c1)[*:1] Cc1cc(=O)n(c2c1c(C)nn2-c1ccccc1)[C@H](C)C(=O)N[*:1]
CC(=O)c1cccc(NC(=O)[C@@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H](C)n1c(=O)cc(C)c2c(C)nn(c21)[*:1]
Cc1ccc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccco2)cc1C c1coc(c1)[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)Nc1ccnn1C[*:1]
Cc1ccc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccco2)cc1C c1coc(c1)C[*:1] Cc1ccc(cc1C)O[C@@H](C)C(=O)Nc1ccnn1[*:1]
Cc1ccc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccco2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](O[*:1])C(=O)Nc1ccnn1Cc1ccco1
O=S(=O)(/C=C/c1ccccc1)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 c1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])Nc1ccc(Cl)c(c1)-c1nnc2CCCCCn21
O=S(=O)(/C=C/c1ccccc1)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 C(=C[*:1])c1ccccc1 O=S(=O)(Nc1ccc(Cl)c(c1)-c1nnc2CCCCCn21)[*:1]
Cc1c(C(=O)NCC(=O)OCC2CC2)nnn1-c1cccc2cccnc12 O=C(OCC1CC1)[*:1] Cc1c(nnn1-c1cccc2cccnc12)C(=O)NC[*:1]
Cc1c(C(=O)NCC(=O)OCC2CC2)nnn1-c1cccc2cccnc12 C1CC1C[*:1] Cc1c(nnn1-c1cccc2cccnc12)C(=O)NCC(=O)O[*:1]
Cc1c(C(=O)NCC(=O)OCC2CC2)nnn1-c1cccc2cccnc12 O=C(C[*:1])OCC1CC1 Cc1c(nnn1-c1cccc2cccnc12)C(=O)N[*:1]
Cc1c(C(=O)NCC(=O)OCC2CC2)nnn1-c1cccc2cccnc12 C1CC1[*:1] Cc1c(nnn1-c1cccc2cccnc12)C(=O)NCC(=O)OC[*:1]
CCC(CC)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C)cc1)CC2=O Cc1ccc(cc1)[*:1] CCC(CC)C(=O)Nc1ncc2C(=O)C[C@H](Cc2n1)[*:1]
CCC(CC)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C)cc1)CC2=O CCC(CC)C(=O)N[*:1] Cc1ccc(cc1)[C@H]1CC(=O)c2cnc(nc2C1)[*:1]
CCC(CC)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C)cc1)CC2=O CCC(CC)[*:1] Cc1ccc(cc1)[C@H]1CC(=O)c2cnc(nc2C1)NC(=O)[*:1]
Cc1cc(C)n2c(nc3ccccc32)c1C(=O)NN NNC(=O)[*:1] Cc1cc(C)n2c(nc3ccccc32)c1[*:1]
COc1ccccc1-c1cc(C(=O)Nc2nc(C)cs2)no1 Cc1csc(n1)[*:1] COc1ccccc1-c1cc(no1)C(=O)N[*:1]
CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)[C@@H](C)OC CO[C@H](C)[*:1] CC[NH2+][C@@H](c1ccc2OCCOc2c1)[*:1]
Cc1cccc(C2=CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)c1 Cc1cccc(c1)[*:1] CN1C[C@H](CC1=O)C(=O)N1CC=C(CC1)[*:1]
CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC)c2)cn1 CCn1cc(cn1)[*:1] CNC(=O)c1cc(ccc1Cl)[N-]S(=O)(=O)[*:1]
CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC)c2)cn1 CNC(=O)[*:1] CCn1cc(cn1)S(=O)(=O)[N-]c1ccc(Cl)c(c1)[*:1]
Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[*:1]
Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@H](O)[*:1]
CCn1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c2c(c1=O)CCCC2 Cc1ccc(cc1)[*:1] CCn1nc(-c2ccc(C)c(c2)S(=O)(=O)N[*:1])c2CCCCc2c1=O
C[NH+](CCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCNC(=O)C(=O)Nc1ccc(cc1F)C(N)=O)[*:1]
C[NH+](CCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)C1CCCCC1 NC(=O)[*:1] C[NH+](CCNC(=O)C(=O)Nc1ccc(cc1F)[*:1])C1CCCCC1
C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 C[C@@H](Oc1cccc(F)c1)[*:1] O=C(N1CCN(CC1)c1ccc2nnc(C3CC3)n2n1)[*:1]
C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 Fc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N1CCN(CC1)c1ccc2nnc(C3CC3)n2n1
C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 Fc1cccc(c1)O[*:1] C[C@@H](C(=O)N1CCN(CC1)c1ccc2nnc(C3CC3)n2n1)[*:1]
C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 C1CC1[*:1] C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(CC1)c1ccc2nnc(n2n1)[*:1]
C[C@@H](Cc1ccccc1F)NC(=O)CCNC(=O)c1ccc2ccccc2c1 Fc1ccccc1[*:1] C[C@@H](C[*:1])NC(=O)CCNC(=O)c1ccc2ccccc2c1
C[C@@H](Cc1ccccc1F)NC(=O)CCNC(=O)c1ccc2ccccc2c1 Fc1ccccc1C[*:1] C[C@@H](NC(=O)CCNC(=O)c1ccc2ccccc2c1)[*:1]
N#CCCCCS(=O)(=O)N1CCN(C(=O)CC2CCCCC2)CC1 N#CC[*:1] O=C(CC1CCCCC1)N1CCN(CC1)S(=O)(=O)CCC[*:1]
N#CCCCCS(=O)(=O)N1CCN(C(=O)CC2CCCCC2)CC1 N#CCCC[*:1] O=C(CC1CCCCC1)N1CCN(CC1)S(=O)(=O)C[*:1]
N#CCCCCS(=O)(=O)N1CCN(C(=O)CC2CCCCC2)CC1 N#CCC[*:1] O=C(CC1CCCCC1)N1CCN(CC1)S(=O)(=O)CC[*:1]
N#CCCCCS(=O)(=O)N1CCN(C(=O)CC2CCCCC2)CC1 C1CCC(CC1)[*:1] N#CCCCCS(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
N#CCCCCS(=O)(=O)N1CCN(C(=O)CC2CCCCC2)CC1 N#CCCCC[*:1] O=C(CC1CCCCC1)N1CCN(CC1)S(=O)(=O)[*:1]
N#CCCCCS(=O)(=O)N1CCN(C(=O)CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] N#CCCCCS(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CC(=O)c1ccc(N2CCN(CC(F)(F)F)CC2)cc1O CC(=O)[*:1] Oc1cc(ccc1[*:1])N1CCN(CC1)CC(F)(F)F
CC(=O)c1ccc(N2CCN(CC(F)(F)F)CC2)cc1O FC(F)(F)C[*:1] CC(=O)c1ccc(cc1O)N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(CC(F)(F)F)CC2)cc1O FC(F)(F)[*:1] CC(=O)c1ccc(cc1O)N1CCN(CC1)C[*:1]
COC(=O)c1c(/N=C/c2ccc(Br)cc2)sc2c1CCC2 COC(=O)[*:1] Brc1ccc(/C=N/c2sc3CCCc3c2[*:1])cc1
COC(=O)c1c(/N=C/c2ccc(Br)cc2)sc2c1CCC2 Brc1ccc(cc1)[*:1] COC(=O)c1c(N=C[*:1])sc2CCCc21
CCc1cccc(N2C[C@@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 O=[N+]([O-])[*:1] CCc1cccc(c1)N1C[C@H](CC1=O)C(=O)N(C)[C@H](C)c1cccc(c1)[*:1]
CCc1cccc(N2C[C@@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 O=[N+]([O-])c1cccc(c1)[*:1] CCc1cccc(c1)N1C[C@H](CC1=O)C(=O)N(C)[C@H](C)[*:1]
CCc1cccc(N2C[C@@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 CCc1cccc(c1)[*:1] C[C@H](c1cccc(c1)[N+](=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1cc(N)cc(S(=O)(=O)Nc2ccccc2C(C)C)c1 CC(C)[*:1] Cc1cc(N)cc(c1)S(=O)(=O)Nc1ccccc1[*:1]
CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1C O=[N+]([O-])c1cccc(c1)C[*:1] CNC(=O)/C(C#N)=C1/S[C@H](C(=O)N1c1ccccc1C)[*:1]
CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1C CNC(=O)[*:1] Cc1ccccc1N1C(=O)[C@@H](Cc2cccc(c2)[N+](=O)[O-])SC1=C(C#N)[*:1]
CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1C O=[N+]([O-])[*:1] CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(c2)[*:1])C(=O)N1c1ccccc1C
CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1C O=[N+]([O-])c1cccc(c1)[*:1] CNC(=O)/C(C#N)=C1/S[C@H](C[*:1])C(=O)N1c1ccccc1C
CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1C Cc1ccccc1[*:1] CNC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(c2)[N+](=O)[O-])C(=O)N1[*:1]
COc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[C@H](O)C2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[C@H](O)C1)[*:1]
COc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[C@H](O)C2)[NH+](C)C)cc1 O[C@H]1CCC[C@@H](C1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)NC[*:1])[NH+](C)C
COc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[C@H](O)C2)[NH+](C)C)cc1 O[C@H]1CCC[C@@H](C1)C[*:1] COc1ccc(cc1)[C@@H](CNC(=O)N[*:1])[NH+](C)C
CCN(C[C@H]1CCCC(C)(C)[C@@H]1[NH2+]C)c1ccccc1 c1ccc(cc1)[*:1] CCN(C[C@H]1CCCC(C)(C)[C@@H]1[NH2+]C)[*:1]
CC(C)[C@H]1C(=O)NCCN1Cc1cc(F)c(F)cc1F CC(C)[*:1] O=C1NCCN(Cc2cc(F)c(F)cc2F)[C@H]1[*:1]
CCOC(=O)CCC(=O)N1CCC[C@@H](c2nn(C)c(=O)n2C(C)C)C1 CCOC(=O)CC[*:1] CC(C)n1c(nn(C)c1=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)CCC(=O)N1CCC[C@@H](c2nn(C)c(=O)n2C(C)C)C1 CCOC(=O)[*:1] CC(C)n1c(nn(C)c1=O)[C@@H]1CCCN(C1)C(=O)CC[*:1]
CCOC(=O)CCC(=O)N1CCC[C@@H](c2nn(C)c(=O)n2C(C)C)C1 CC(C)[*:1] CCOC(=O)CCC(=O)N1CCC[C@H](C1)c1nn(C)c(=O)n1[*:1]
CCOC(=O)CCC(=O)N1CCC[C@@H](c2nn(C)c(=O)n2C(C)C)C1 CCOC(=O)C[*:1] CC(C)n1c(nn(C)c1=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
Nc1c(C(=O)NC2CCCCC2)sc2ncccc12 C1CCC(CC1)[*:1] Nc1c(sc2ncccc12)C(=O)N[*:1]
O=C(NCCc1c[nH]c[nH+]1)C1CC[NH+](Cc2ccco2)CC1 c1coc(c1)C[*:1] O=C(NCCc1c[nH]c[nH+]1)C1CC[NH+](CC1)[*:1]
O=C(NCCc1c[nH]c[nH+]1)C1CC[NH+](Cc2ccco2)CC1 c1coc(c1)[*:1] O=C(NCCc1c[nH]c[nH+]1)C1CC[NH+](CC1)C[*:1]
O=S(=O)(NCc1ccc(F)cc1C(F)(F)F)c1cccnc1 c1cncc(c1)[*:1] O=S(=O)(NCc1ccc(F)cc1C(F)(F)F)[*:1]
O=S(=O)(NCc1ccc(F)cc1C(F)(F)F)c1cccnc1 FC(F)(F)[*:1] O=S(=O)(NCc1ccc(F)cc1[*:1])c1cccnc1
Cc1ccc(OCC(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F
Cc1ccc(OCC(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F
Cc1ccc(OCC(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)OCC(=O)N1N=C2CCCC[C@H]2[C@]1(O)[*:1]
CC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1)[*:1]
CC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(N[C@H](c1nc2ccccc2[nH]1)[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2ccccc2[nH]1 Clc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1nc2ccccc2[nH]1
O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(F)c([O-])c(F)c2)CC1 C1CC1[*:1] O=S(=O)(N1CCC(CC1)[NH2+]Cc1cc(F)c([O-])c(F)c1)[*:1]
O=C(Nc1nccs1)c1ccc(CNC(=O)c2c[nH]c3cccnc23)cc1 O=C(Nc1nccs1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1c[nH]c2cccnc12
O=C(Nc1nccs1)c1ccc(CNC(=O)c2c[nH]c3cccnc23)cc1 c1cnc2c(c[nH]c2c1)[*:1] O=C(Nc1nccs1)c1ccc(cc1)CNC(=O)[*:1]
O=C(Nc1nccs1)c1ccc(CNC(=O)c2c[nH]c3cccnc23)cc1 c1csc(n1)[*:1] O=C(N[*:1])c1ccc(cc1)CNC(=O)c1c[nH]c2cccnc12
COCC[C@@H](C)C(=O)NCC1(c2cccc(Cl)c2)CC1 COCC[*:1] C[C@@H](C(=O)NCC1(CC1)c1cccc(Cl)c1)[*:1]
COCC[C@@H](C)C(=O)NCC1(c2cccc(Cl)c2)CC1 COCC[C@@H](C)[*:1] O=C(NCC1(CC1)c1cccc(Cl)c1)[*:1]
COCC[C@@H](C)C(=O)NCC1(c2cccc(Cl)c2)CC1 COC[*:1] C[C@H](C[*:1])C(=O)NCC1(CC1)c1cccc(Cl)c1
CCN(CC(F)(F)F)C(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 CCN(CC(F)(F)F)C(=O)CC[*:1]
CCN(CC(F)(F)F)C(=O)CCCn1ccnn1 FC(F)(F)C[*:1] CCN(C(=O)CCCn1ccnn1)[*:1]
CCN(CC(F)(F)F)C(=O)CCCn1ccnn1 c1cn(nn1)[*:1] CCN(CC(F)(F)F)C(=O)CCC[*:1]
CCN(CC(F)(F)F)C(=O)CCCn1ccnn1 FC(F)(F)[*:1] CCN(C[*:1])C(=O)CCCn1ccnn1
Cc1ccc([C@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)C(=O)Nc2ccc3c(c2)OCCO3)cc1 c1cc2OCCOc2cc1[*:1] Cc1ccc(cc1)[C@H](NC(=O)/C=C\c1ccc2OCOc2c1)C(=O)N[*:1]
Cc1ccc([C@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)C(=O)Nc2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] O=C(/C=C\c1ccc2OCOc2c1)N[C@H](C(=O)Nc1ccc2OCCOc2c1)[*:1]
Cc1ccc([C@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)C(=O)Nc2ccc3c(c2)OCCO3)cc1 C(=C[*:1])c1ccc2OCOc2c1 Cc1ccc(cc1)[C@H](NC(=O)[*:1])C(=O)Nc1ccc2OCCOc2c1
Cc1ccc([C@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)C(=O)Nc2ccc3c(c2)OCCO3)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)[C@H](NC(=O)C=C[*:1])C(=O)Nc1ccc2OCCOc2c1
N#Cc1ccc(S[C@H](C(N)=O)c2ccc(Br)cc2)cc1 NC(=O)[*:1] N#Cc1ccc(cc1)S[C@H](c1ccc(Br)cc1)[*:1]
O=C(C[C@H]1S/C(=N\N=C\c2cccc(O)c2)NC1=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(C[C@H]1S/C(=N\N=C\c2cccc(O)c2)NC1=O)N[*:1]
O=C(C[C@H]1S/C(=N\N=C\c2cccc(O)c2)NC1=O)Nc1ccc(Cl)c(Cl)c1 Oc1cccc(c1)[*:1] O=C(C[C@H]1S/C(=N\N=C[*:1])NC1=O)Nc1ccc(Cl)c(Cl)c1
CCNC(=O)c1cccc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1 FC(F)[*:1] CCNC(=O)c1cccc(c1)NC(=O)N[C@@H](C)c1cccc(c1)O[*:1]
CCNC(=O)c1cccc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1 CCNC(=O)[*:1] C[C@H](NC(=O)Nc1cccc(c1)[*:1])c1cccc(c1)OC(F)F
CCNC(=O)c1cccc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1 FC(F)O[*:1] CCNC(=O)c1cccc(c1)NC(=O)N[C@@H](C)c1cccc(c1)[*:1]
COc1ccc2c(c1)-c1onc(C(=O)NCCc3ccc(OC)c(OC)c3)c1CC2 COc1ccc(cc1OC)[*:1] COc1ccc2CCc3c(noc3-c2c1)C(=O)NCC[*:1]
CC(C)c1nn(C)cc1C[NH+]1CCC2(CCCCC2)C1 CC(C)[*:1] Cn1cc(C[NH+]2CCC3(CCCCC3)C2)c(n1)[*:1]
COc1ccc(OCc2ccccn2)c(/C=C/C(=O)N(C)c2nccs2)c1 c1ccc(C[*:1])nc1 COc1ccc(O[*:1])c(/C=C/C(=O)N(C)c2nccs2)c1
COc1ccc(OCc2ccccn2)c(/C=C/C(=O)N(C)c2nccs2)c1 c1csc(n1)[*:1] COc1ccc(OCc2ccccn2)c(/C=C/C(=O)N(C)[*:1])c1
COc1ccc(OCc2ccccn2)c(/C=C/C(=O)N(C)c2nccs2)c1 c1ccc(nc1)[*:1] COc1ccc(OC[*:1])c(/C=C/C(=O)N(C)c2nccs2)c1
COc1ccc(OCc2ccccn2)c(/C=C/C(=O)N(C)c2nccs2)c1 CN(C(=O)[*:1])c1nccs1 COc1ccc(OCc2ccccn2)c(C=C[*:1])c1
COc1ccc(OCc2ccccn2)c(/C=C/C(=O)N(C)c2nccs2)c1 c1ccc(CO[*:1])nc1 COc1ccc(c(/C=C/C(=O)N(C)c2nccs2)c1)[*:1]
COC(=O)c1ccc(N2C(=O)CS[C@@H]2c2cccc(OC)c2OC)cc1 COC(=O)[*:1] COc1cccc(c1OC)[C@H]1SCC(=O)N1c1ccc(cc1)[*:1]
O=C(NCC1CCC1)[C@@H]1C[C@@H]1c1ccccc1 C1CC(C1)C[*:1] O=C(N[*:1])[C@@H]1C[C@@H]1c1ccccc1
O=C(NCC1CCC1)[C@@H]1C[C@@H]1c1ccccc1 C1CC(C1)[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1ccccc1
C=CCNC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 C=CCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1(CC1)c1ccc(Cl)cc1
C=CCNC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)C1(CC1)[*:1]
C=CCNC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 C=CC[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1
COC(=O)c1cc(CNC(=O)c2c[nH]nc2-c2ccccc2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)c1c[nH]nc1-c1ccccc1
COC(=O)c1cc(CNC(=O)c2c[nH]nc2-c2ccccc2)oc1C c1ccc(cc1)[*:1] COC(=O)c1cc(CNC(=O)c2c[nH]nc2[*:1])oc1C
C[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCSC1 C[C@@H]1C[C@@H]1[*:1] O=C(NC[C@]1(O)CCSC1)[*:1]
CCOc1ccc(NC(=O)NCc2ccccc2Cn2cccn2)cc1F CCO[*:1] O=C(NCc1ccccc1Cn1cccn1)Nc1ccc(c(F)c1)[*:1]
CCOc1ccc(NC(=O)NCc2ccccc2Cn2cccn2)cc1F c1cnn(c1)[*:1] CCOc1ccc(cc1F)NC(=O)NCc1ccccc1C[*:1]
CCOc1ccc(NC(=O)NCc2ccccc2Cn2cccn2)cc1F c1cnn(c1)C[*:1] CCOc1ccc(cc1F)NC(=O)NCc1ccccc1[*:1]
CCSc1ccc(Cc2nnc(NC(=O)c3ccc(F)c(F)c3)o2)cc1 Fc1ccc(cc1F)[*:1] CCSc1ccc(cc1)Cc1nnc(NC(=O)[*:1])o1
CCSc1ccc(Cc2nnc(NC(=O)c3ccc(F)c(F)c3)o2)cc1 CCS[*:1] O=C(Nc1nnc(Cc2ccc(cc2)[*:1])o1)c1ccc(F)c(F)c1
Cc1sc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)c(C#N)c1C O=C([O-])[*:1] Cc1sc(NC(=O)[C@@H]2[C@@H]([C@@H]3C=C[C@H]2C3)[*:1])c(C#N)c1C
C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)[*:1]
CC[C@@](C)([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@](C)([NH2+]CC(=O)Nc1ccc2OCOc2c1)[*:1]
O/C(=N\CC[NH2+][C@@H]1CCc2sc(Cl)cc21)c1ncccc1O Oc1cccnc1[*:1] O/C(=N\CC[NH2+][C@@H]1CCc2sc(Cl)cc21)[*:1]
FC(F)(F)c1cccc(NC2=NC[C@@H](CI)S2)c1 FC(F)(F)[*:1] IC[C@@H]1CN=C(Nc2cccc(c2)[*:1])S1
N#Cc1ccc(NC(=O)CCCO)c(Br)c1 OCC[*:1] N#Cc1ccc(NC(=O)C[*:1])c(Br)c1
N#Cc1ccc(NC(=O)CCCO)c(Br)c1 OCCC[*:1] N#Cc1ccc(NC(=O)[*:1])c(Br)c1
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCc3ccccc32)c1 O=[N+]([O-])[*:1] O[C@@H](CN1CCc2ccccc21)Cn1cc(cn1)[*:1]
CCC(CC)C(=O)Nc1ccc(Cl)cc1C CCC(CC)[*:1] Cc1cc(Cl)ccc1NC(=O)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[*:1]
COc1ccc(C(=O)N2C[C@H](c3cccc(F)c3)[C@@H](C[NH+]3CCCC3)C2)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)C(=O)N1C[C@H]([C@H](C1)C[NH+]1CCCC1)[*:1]
COc1ccc(C(=O)N2C[C@H](c3cccc(F)c3)[C@@H](C[NH+]3CCCC3)C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(N1C[C@H](c2cccc(F)c2)[C@H](C1)C[NH+]1CCCC1)[*:1]
C[C@@H](NC(=O)COc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)COc1c(Cl)cccc1Cl)[*:1]
Cc1ncc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cn1 Fc1ccc(cc1)[*:1] Cc1ncc(cn1)C(=O)N1CCCC[C@@H]1[*:1]
Cc1ncc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cn1 Cc1ncc(cn1)[*:1] O=C(N1CCCC[C@H]1c1ccc(F)cc1)[*:1]
CN(C)c1cccc([C@H]2CCCN2S(C)(=O)=O)c1 CN(C)[*:1] CS(=O)(=O)N1CCC[C@@H]1c1cccc(c1)[*:1]
Cn1[nH+]c(-c2ccc(OC(F)(F)F)cc2)cc1N FC(F)(F)O[*:1] Cn1[nH+]c(cc1N)-c1ccc(cc1)[*:1]
Cn1[nH+]c(-c2ccc(OC(F)(F)F)cc2)cc1N FC(F)(F)[*:1] Cn1[nH+]c(cc1N)-c1ccc(cc1)O[*:1]
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)C[C@H](O)C1CC1 O[C@H](C1CC1)[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)C[*:1]
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)C[C@H](O)C1CC1 C1CC1[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)C[C@H](O)[*:1]
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)C[C@H](O)C1CC1 O[C@@H](C[*:1])C1CC1 C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)[*:1]
C=CCCS[C@H](C)c1nnc(CC(C)C)o1 C=CC[*:1] CC(C)Cc1nnc(o1)[C@@H](C)SC[*:1]
C=CCCS[C@H](C)c1nnc(CC(C)C)o1 CC(C)C[*:1] C=CCCS[C@H](C)c1nnc(o1)[*:1]
C=CCCS[C@H](C)c1nnc(CC(C)C)o1 C=CCCS[*:1] CC(C)Cc1nnc(o1)[C@@H](C)[*:1]
C=CCCS[C@H](C)c1nnc(CC(C)C)o1 C=CCC[*:1] CC(C)Cc1nnc(o1)[C@@H](C)S[*:1]
C=CCCS[C@H](C)c1nnc(CC(C)C)o1 CC(C)[*:1] C=CCCS[C@H](C)c1nnc(C[*:1])o1
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)C2 NC(=O)C1CCN(CC1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)[NH2+]Cc1cccnc1[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)C2 NC(=O)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)[NH2+]Cc1cccnc1N1CCC(CC1)[*:1]
CCOc1ncccc1NC(=O)Cn1ccc(=O)n(C)c1=O CCO[*:1] Cn1c(=O)ccn(CC(=O)Nc2cccnc2[*:1])c1=O
CC(=O)/C(C(=O)Nc1cc(=O)c2ccccc2o1)=C(/C)NCc1ccccc1 c1ccc(cc1)CN[*:1] CC(=O)C(C(=O)Nc1cc(=O)c2ccccc2o1)=C(C)[*:1]
CC(=O)/C(C(=O)Nc1cc(=O)c2ccccc2o1)=C(/C)NCc1ccccc1 c1ccc(cc1)C[*:1] CC(=O)/C(C(=O)Nc1cc(=O)c2ccccc2o1)=C(/C)N[*:1]
CC(=O)/C(C(=O)Nc1cc(=O)c2ccccc2o1)=C(/C)NCc1ccccc1 c1ccc(cc1)[*:1] CC(=O)/C(C(=O)Nc1cc(=O)c2ccccc2o1)=C(/C)NC[*:1]
CC(=O)/C(C(=O)Nc1cc(=O)c2ccccc2o1)=C(/C)NCc1ccccc1 CC(=O)[*:1] C/C(NCc1ccccc1)=C(\C(=O)Nc1cc(=O)c2ccccc2o1)[*:1]
CCCCN(C)C(=O)Nc1ccc(OC2CCCC2)cc1 CCC[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)OC1CCCC1
CCCCN(C)C(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)[*:1] CCCCN(C)C(=O)Nc1ccc(cc1)O[*:1]
CCCCN(C)C(=O)Nc1ccc(OC2CCCC2)cc1 C1CCC(C1)O[*:1] CCCCN(C)C(=O)Nc1ccc(cc1)[*:1]
CCCCN(C)C(=O)Nc1ccc(OC2CCCC2)cc1 CCCC[*:1] CN(C(=O)Nc1ccc(cc1)OC1CCCC1)[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)n1 c1ccc(cc1)C[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)N(C[C@@H](O)c1ccco1)[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)N(C[C@@H](O)c1ccco1)C[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)n1 O[C@H](C[*:1])c1ccco1 Cc1cc(C)n(n1)[C@@H](C)C(=O)N(Cc1ccccc1)[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1)[*:1]
Cc1cc(C)n([C@@H](C)C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)n1 c1coc(c1)[*:1] Cc1cc(C)n(n1)[C@@H](C)C(=O)N(Cc1ccccc1)C[C@@H](O)[*:1]
COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](c1cccc(C#N)c1)N(C)C[*:1]
COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] COC(=O)[C@@H](c1cccc(C#N)c1)N(C)[*:1]
COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1ccccc1 COC(=O)[*:1] CN(Cc1ccccc1)[C@H](c1cccc(C#N)c1)[*:1]
CC/C(=C\c1ccccc1C1CC1)C[NH2+]C(C)C CC(C)[*:1] CC/C(=C\c1ccccc1C1CC1)C[NH2+][*:1]
CC/C(=C\c1ccccc1C1CC1)C[NH2+]C(C)C C1CC1[*:1] CC/C(=C\c1ccccc1[*:1])C[NH2+]C(C)C
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nc(C2CC2)ns1 CS(=O)(=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)c1nc(ns1)C1CC1
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nc(C2CC2)ns1 C1CC1[*:1] C[C@@H](c1ccc(cc1)S(C)(=O)=O)N(C)c1nc(ns1)[*:1]
Clc1cccc(-c2nn3c(-c4ccccc4)nnc3s2)c1 Clc1cccc(c1)[*:1] c1ccc(cc1)-c1nnc2sc(nn12)[*:1]
Clc1cccc(-c2nn3c(-c4ccccc4)nnc3s2)c1 c1ccc(cc1)[*:1] Clc1cccc(c1)-c1nn2c(nnc2s1)[*:1]
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2F)c1 NS(=O)(=O)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)[N-]c1ccc(cc1F)[*:1]
CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)n1c(C(=O)OC)cc2ccsc21 COC(=O)[*:1] CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)n1c(cc2ccsc21)[*:1]
CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)n1c(C(=O)OC)cc2ccsc21 Cc1cc(C)c(c(C)c1)[*:1] CC[C@@H](C(=O)N[*:1])n1c(cc2ccsc21)C(=O)OC
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)c([N+](=O)[O-])c1 C1CN(CCO1)[*:1] Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)c([N+](=O)[O-])c1 c1coc(c1)[*:1] Cc1ccc(NC(=O)C(=O)NC[C@H](N2CCOCC2)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)c(c1)[*:1]
NC(=O)[C@H]([NH2+]C1CCCC1)c1ccc(Br)cc1 C1CCC(C1)[*:1] NC(=O)[C@H]([NH2+][*:1])c1ccc(Br)cc1
NC(=O)[C@H]([NH2+]C1CCCC1)c1ccc(Br)cc1 NC(=O)[*:1] Brc1ccc(cc1)[C@@H]([NH2+]C1CCCC1)[*:1]
C[NH+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1ccccc1Cl c1coc(c1)[*:1] C[NH+](CC(=O)N1CCN(CC1)C[*:1])Cc1ccccc1Cl
C[NH+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1ccccc1Cl Clc1ccccc1C[*:1] C[NH+](CC(=O)N1CCN(CC1)Cc1ccco1)[*:1]
C[NH+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1ccccc1Cl c1coc(c1)C[*:1] C[NH+](CC(=O)N1CCN(CC1)[*:1])Cc1ccccc1Cl
C[NH+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1ccccc1Cl Clc1ccccc1[*:1] C[NH+](CC(=O)N1CCN(CC1)Cc1ccco1)C[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)n(C)n1 CC[S@@](=O)[*:1] Cc1cc(nn1C)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CNC(=O)Cc1ccc(NC(=O)c2sc(C3CCCC3)nc2C)cc1 CNC(=O)C[*:1] Cc1nc(sc1C(=O)Nc1ccc(cc1)[*:1])C1CCCC1
CNC(=O)Cc1ccc(NC(=O)c2sc(C3CCCC3)nc2C)cc1 CNC(=O)[*:1] Cc1nc(sc1C(=O)Nc1ccc(cc1)C[*:1])C1CCCC1
CNC(=O)Cc1ccc(NC(=O)c2sc(C3CCCC3)nc2C)cc1 C1CCC(C1)[*:1] CNC(=O)Cc1ccc(cc1)NC(=O)c1sc(nc1C)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@](C)(O)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@](C)(O)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@](C)(O)c1cnn(C)c1 CC[S@](=O)[*:1] Cn1cc(cn1)[C@@](C)(O)CNC(=O)N[C@H]1CCCC[C@H]1[*:1]
Cn1nnnc1SCc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] Cn1nnnc1SCc1cc(on1)[*:1]
Cn1nnnc1SCc1cc(-c2ccccc2)on1 Cn1nnnc1[*:1] c1ccc(cc1)-c1cc(CS[*:1])no1
CC(C)N1CC[C@@H](NC(=O)c2cccc3[nH]ccc23)C1=O CC(C)[*:1] O=C(N[C@@H]1CCN(C1=O)[*:1])c1cccc2[nH]ccc12
O=C(CCc1ccccc1OC(F)(F)F)Nc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(CCc1ccccc1OC(F)(F)F)N[*:1]
O=C(CCc1ccccc1OC(F)(F)F)Nc1ccc(Cl)nc1 FC(F)(F)O[*:1] O=C(CCc1ccccc1[*:1])Nc1ccc(Cl)nc1
O=C(CCc1ccccc1OC(F)(F)F)Nc1ccc(Cl)nc1 FC(F)(F)[*:1] O=C(CCc1ccccc1O[*:1])Nc1ccc(Cl)nc1
CSCCCN1CCN(C(=O)c2ccc(C)c(F)c2)CC1 CSCCC[*:1] Cc1ccc(cc1F)C(=O)N1CCN(CC1)[*:1]
CSCCCN1CCN(C(=O)c2ccc(C)c(F)c2)CC1 CSC[*:1] Cc1ccc(cc1F)C(=O)N1CCN(CC1)CC[*:1]
CSCCCN1CCN(C(=O)c2ccc(C)c(F)c2)CC1 CSCC[*:1] Cc1ccc(cc1F)C(=O)N1CCN(CC1)C[*:1]
C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nc2scc(C3CC3)c2c1=O C1CC1[*:1] C=CCn1c(nc2scc(c2c1=O)[*:1])S[C@@H](C)C(=O)NC1CCCCC1
C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nc2scc(C3CC3)c2c1=O C=CC[*:1] C[C@H](Sc1nc2scc(c2c(=O)n1[*:1])C1CC1)C(=O)NC1CCCCC1
C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nc2scc(C3CC3)c2c1=O C1CCC(CC1)[*:1] C=CCn1c(nc2scc(c2c1=O)C1CC1)S[C@@H](C)C(=O)N[*:1]
C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nc2scc(C3CC3)c2c1=O O=C(NC1CCCCC1)[*:1] C=CCn1c(nc2scc(c2c1=O)C1CC1)S[C@@H](C)[*:1]
Cc1csc(C[S@](=O)[C@H](C)c2ncc(C(C)(C)C)o2)n1 Cc1csc(n1)[*:1] C[C@H](c1ncc(o1)C(C)(C)C)[S@@](=O)C[*:1]
Cc1csc(C[S@](=O)[C@H](C)c2ncc(C(C)(C)C)o2)n1 CC(C)(C)[*:1] Cc1csc(C[S@](=O)[C@H](C)c2ncc(o2)[*:1])n1
CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)CCC2 CN(C)C(=O)C[*:1] CC(C)c1ccc2CCC[C@@H]([NH2+]C3CCN(CC3)[*:1])c2c1
CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)CCC2 CC(C)[*:1] CN(C)C(=O)CN1CCC(CC1)[NH2+][C@@H]1CCCc2ccc(cc21)[*:1]
CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)CCC2 CN(C)C(=O)[*:1] CC(C)c1ccc2CCC[C@@H]([NH2+]C3CCN(CC3)C[*:1])c2c1
CNC(=O)c1ccc(NC(=O)N[C@@H](C)c2c(F)cccc2Cl)cc1 CNC(=O)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1c(F)cccc1Cl
CNC(=O)c1ccc(NC(=O)N[C@@H](C)c2c(F)cccc2Cl)cc1 Fc1cccc(Cl)c1[*:1] CNC(=O)c1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
CN(CCC[NH3+])C[C@@H]1COc2ccccc21 [NH3+]CCC[*:1] CN(C[C@@H]1COc2ccccc21)[*:1]
CN(CCC[NH3+])C[C@@H]1COc2ccccc21 [NH3+]CC[*:1] CN(C[C@@H]1COc2ccccc21)C[*:1]
Cc1occc1C(=O)N[C@H](C)C[C@H](O)c1ccccc1 Cc1occc1[*:1] C[C@H](C[C@H](O)c1ccccc1)NC(=O)[*:1]
Cc1occc1C(=O)N[C@H](C)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] Cc1occc1C(=O)N[C@H](C)C[C@H](O)[*:1]
C[C@H]1CN(C(=O)CCCNC(=O)c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] C[C@H]1CN(C(=O)CCCNC(=O)[*:1])c2ccccc21
C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)o1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CC[C@H]2NC(=O)N(C2=O)[*:1])o1
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] CC(C)C[*:1] O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])O[*:1]
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] O=C([O-])[*:1] CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)[*:1]
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] CC(C)[*:1] O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])OC[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCN1CCOCC1 Fc1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C[NH2+]CCCN1CCOCC1)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCC[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CC[*:1]
CN(Cc1csc(Br)c1)c1nc2cc(N)ccc2o1 Brc1cc(cs1)[*:1] CN(C[*:1])c1nc2cc(N)ccc2o1
Cc1nn(C)c(C)c1NC(=S)NCc1cccnc1 c1cncc(c1)[*:1] Cc1nn(C)c(C)c1NC(=S)NC[*:1]
CNc1nc(CNc2ccc(OC(F)F)cn2)cs1 FC(F)[*:1] CNc1nc(cs1)CNc1ccc(cn1)O[*:1]
CNc1nc(CNc2ccc(OC(F)F)cn2)cs1 FC(F)O[*:1] CNc1nc(cs1)CNc1ccc(cn1)[*:1]
OCC[NH+](C1CC[NH2+]CC1)C1CC1 C1CC1[*:1] OCC[NH+](C1CC[NH2+]CC1)[*:1]
OCC[NH+](C1CC[NH2+]CC1)C1CC1 OCC[*:1] C1CC(CC[NH2+]1)[NH+](C1CC1)[*:1]
C#CCNC(=O)COC(=O)c1sc(NC(=O)c2ccco2)cc1C C#CC[*:1] Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCC(=O)N[*:1]
C#CCNC(=O)COC(=O)c1sc(NC(=O)c2ccco2)cc1C C#CCNC(=O)C[*:1] Cc1cc(NC(=O)c2ccco2)sc1C(=O)O[*:1]
C#CCNC(=O)COC(=O)c1sc(NC(=O)c2ccco2)cc1C c1coc(c1)[*:1] C#CCNC(=O)COC(=O)c1sc(cc1C)NC(=O)[*:1]
C#CCNC(=O)COC(=O)c1sc(NC(=O)c2ccco2)cc1C O=C(N[*:1])c1ccco1 C#CCNC(=O)COC(=O)c1sc(cc1C)[*:1]
C#CCNC(=O)COC(=O)c1sc(NC(=O)c2ccco2)cc1C C#CCNC(=O)[*:1] Cc1cc(NC(=O)c2ccco2)sc1C(=O)OC[*:1]
Cc1ccc(-n2nc(C)c(C(=O)Nc3cc(-c4cccc(F)c4)[nH]n3)c2-n2cccc2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(c(c1C(=O)Nc1cc([nH]n1)-c1cccc(F)c1)-n1cccc1)[*:1]
Cc1ccc(-n2nc(C)c(C(=O)Nc3cc(-c4cccc(F)c4)[nH]n3)c2-n2cccc2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)-n1nc(C)c(C(=O)Nc2cc([nH]n2)[*:1])c1-n1cccc1
Cc1ccc(-n2nc(C)c(C(=O)Nc3cc(-c4cccc(F)c4)[nH]n3)c2-n2cccc2)cc1 c1ccn(c1)[*:1] Cc1ccc(cc1)-n1nc(C)c(C(=O)Nc2cc([nH]n2)-c2cccc(F)c2)c1[*:1]
CCC[C@H](O)CC[C@@H](O)C(F)(F)F CCC[*:1] O[C@H](CC[C@@H](O)C(F)(F)F)[*:1]
CCC[C@H](O)CC[C@@H](O)C(F)(F)F FC(F)(F)[*:1] CCC[C@H](O)CC[C@@H](O)[*:1]
O=C(CSc1nc2ccccc2s1)N1CC(c2nc(-c3ccccc3)no2)C1 c1ccc2sc(nc2c1)[*:1] O=C(CS[*:1])N1CC(C1)c1nc(no1)-c1ccccc1
O=C(CSc1nc2ccccc2s1)N1CC(c2nc(-c3ccccc3)no2)C1 c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2s1)N1CC(C1)c1nc(no1)[*:1]
C[C@@H]1CN(C(=O)c2cc(-c3cccc(Cl)c3)on2)C(C)(C)CO1 Clc1cccc(c1)[*:1] C[C@@H]1CN(C(=O)c2cc(on2)[*:1])C(C)(C)CO1
[NH3+][C@]1(C(=O)[O-])CCC[C@H]1CC[NH+]1CCCCC1 O=C([O-])[*:1] [NH3+][C@@]1(CCC[C@H]1CC[NH+]1CCCCC1)[*:1]
C[NH2+]C[C@H](C[C@@H]1Cc2ccccc2O1)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[NH2+]C[C@H](C[C@@H]1Cc2ccccc2O1)[*:1]
O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)OC1(C2CC2)CC1 C1CC1C1(CC1)[*:1] O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)O[*:1]
O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)OC1(C2CC2)CC1 C1CC1[*:1] O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)OC1(CC1)[*:1]
C[C@H](NC(=O)OCCO)c1ccc(NC(N)=O)cc1 OCC[*:1] C[C@H](NC(=O)O[*:1])c1ccc(cc1)NC(N)=O
C[C@H](NC(=O)OCCO)c1ccc(NC(N)=O)cc1 NC(=O)N[*:1] C[C@H](NC(=O)OCCO)c1ccc(cc1)[*:1]
O=C(/C=C/c1ccco1)NNC(=S)NC[C@H]1CCCO1 c1coc(c1)[*:1] O=C(C=C[*:1])NNC(=S)NC[C@H]1CCCO1
O=C(/C=C/c1ccco1)NNC(=S)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(/C=C/c1ccco1)NNC(=S)N[*:1]
O=C(/C=C/c1ccco1)NNC(=S)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(/C=C/c1ccco1)NNC(=S)NC[*:1]
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(Br)n1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1C(=O)c1cccc(Br)n1)[*:1]
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(Br)n1 Brc1cccc(n1)[*:1] C[C@H]1C[C@H](CN1C(=O)[*:1])c1ccc(F)cc1
O=C(NCC1(c2ccccc2)CCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 c1ccc(cc1)[*:1] O=C(NCC1(CCC1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1
O=C(NCC1(c2ccccc2)CCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 c1cc2OCCCOc2cc1[*:1] O=C(NCC1(CCC1)c1ccccc1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(NCC1(c2ccccc2)CCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 c1ccc(cc1)C1(CCC1)C[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1
O=C(NCC1(c2ccccc2)CCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 c1ccc(cc1)C1(CCC1)[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1
CCOC(=O)CC(=O)CSc1nc2sc(C)cc2c(=O)n1C CCOC(=O)[*:1] Cc1cc2c(=O)n(C)c(nc2s1)SCC(=O)C[*:1]
CCOC(=O)CC(=O)CSc1nc2sc(C)cc2c(=O)n1C CCOC(=O)C[*:1] Cc1cc2c(=O)n(C)c(nc2s1)SCC(=O)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(cc1)C[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 O=C(C[*:1])N1CCOCC1 Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(cc1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)Nc1ccc(cc1)CC(=O)N1CCOCC1)[*:1]
COCC[C@@H](C)C(=O)N[C@@H]1CCN(C)C1=O COCC[*:1] C[C@@H](C(=O)N[C@@H]1CCN(C)C1=O)[*:1]
COCC[C@@H](C)C(=O)N[C@@H]1CCN(C)C1=O COC[*:1] C[C@H](C[*:1])C(=O)N[C@@H]1CCN(C)C1=O
C[C@H]1CCC[C@@H](C(=O)Nc2cn(C)nc2-c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C1)C(=O)Nc1cn(C)nc1[*:1]
Cc1ccc(C)c(-n2ccnc2SCC(=O)NCC(=O)NC2CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nccn1[*:1])NCC(=O)NC1CC1
Cc1ccc(C)c(-n2ccnc2SCC(=O)NCC(=O)NC2CC2)c1 O=C(C[*:1])NC1CC1 Cc1ccc(C)c(c1)-n1ccnc1SCC(=O)N[*:1]
Cc1ccc(C)c(-n2ccnc2SCC(=O)NCC(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] Cc1ccc(C)c(c1)-n1ccnc1SCC(=O)NC[*:1]
Cc1ccc(C)c(-n2ccnc2SCC(=O)NCC(=O)NC2CC2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)-n1ccnc1SCC(=O)NCC(=O)N[*:1]
CCCN1C(=[NH2+])[C@H](c2cncn2C2CC2)[NH+]=C1C(C)C C1CC1[*:1] CCCN1C(=[NH2+])[C@@H]([NH+]=C1C(C)C)c1cncn1[*:1]
CCCN1C(=[NH2+])[C@H](c2cncn2C2CC2)[NH+]=C1C(C)C CCC[*:1] CC(C)C1=[NH+][C@H](C(=[NH2+])N1[*:1])c1cncn1C1CC1
CCCN1C(=[NH2+])[C@H](c2cncn2C2CC2)[NH+]=C1C(C)C CC(C)[*:1] CCCN1C(=[NH2+])[C@@H]([NH+]=C1[*:1])c1cncn1C1CC1
CSc1ccc(NC(=O)CC2CCC2)cc1F C1CC(C1)[*:1] CSc1ccc(cc1F)NC(=O)C[*:1]
CSc1ccc(NC(=O)CC2CCC2)cc1F C1CC(C1)C[*:1] CSc1ccc(cc1F)NC(=O)[*:1]
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 CSC[*:1] O=C(N[C@@H](C[*:1])c1nc2ccccc2[nH]1)c1cccc(c1)[N+](=O)[O-]
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 CSCC[*:1] O=C(N[C@H](c1nc2ccccc2[nH]1)[*:1])c1cccc(c1)[N+](=O)[O-]
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 O=[N+]([O-])[*:1] CSCC[C@H](NC(=O)c1cccc(c1)[*:1])c1nc2ccccc2[nH]1
COc1ccccc1O[C@@H](C)CNC(=O)c1cc(C(C)C)no1 CC(C)[*:1] COc1ccccc1O[C@@H](C)CNC(=O)c1cc(no1)[*:1]
C[C@@H]1CCCC[C@@H]1N(C)c1cncc(C[NH2+]C(C)(C)C)n1 C[C@@H]1CCCC[C@H]1[*:1] CN(c1cncc(C[NH2+]C(C)(C)C)n1)[*:1]
C[C@@H]1CCCC[C@@H]1N(C)c1cncc(C[NH2+]C(C)(C)C)n1 CC(C)(C)[*:1] C[C@@H]1CCCC[C@@H]1N(C)c1cncc(C[NH2+][*:1])n1
C[C@@H](CNC(=O)Nc1cc(C#N)ccc1Cl)Oc1ccccc1F Fc1ccccc1O[*:1] C[C@@H](CNC(=O)Nc1cc(C#N)ccc1Cl)[*:1]
C[C@@H](CNC(=O)Nc1cc(C#N)ccc1Cl)Oc1ccccc1F Fc1ccccc1[*:1] C[C@@H](CNC(=O)Nc1cc(C#N)ccc1Cl)O[*:1]
CCn1cc(C(=O)Nc2ccccc2C(=O)OC)c(=O)c2cc(F)ccc21 COC(=O)[*:1] CCn1cc(C(=O)Nc2ccccc2[*:1])c(=O)c2cc(F)ccc21
CCNc1nc(C(=O)N2CCOC[C@H]2C2CC2)cs1 C1CC1[*:1] CCNc1nc(cs1)C(=O)N1CCOC[C@@H]1[*:1]
CCNc1nc(C(=O)N2CCOC[C@H]2C2CC2)cs1 CCN[*:1] O=C(c1csc(n1)[*:1])N1CCOC[C@H]1C1CC1
Cc1ccccc1-n1c(SCC(C)C)nnc1N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccccc1-n1c(nnc1[*:1])SCC(C)C
Cc1ccccc1-n1c(SCC(C)C)nnc1N1CCOCC1 Cc1ccccc1[*:1] CC(C)CSc1nnc(N2CCOCC2)n1[*:1]
Cc1ccccc1-n1c(SCC(C)C)nnc1N1CCOCC1 CC(C)C[*:1] Cc1ccccc1-n1c(nnc1N1CCOCC1)S[*:1]
Cc1ccccc1-n1c(SCC(C)C)nnc1N1CCOCC1 CC(C)CS[*:1] Cc1ccccc1-n1c(nnc1[*:1])N1CCOCC1
Cc1ccccc1-n1c(SCC(C)C)nnc1N1CCOCC1 CC(C)[*:1] Cc1ccccc1-n1c(nnc1N1CCOCC1)SC[*:1]
CC[C@@H](C(=O)OCC(=O)N1CCCC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@@H](C(=O)OCC(=O)N1CCCC1)c1cccc(c1)[*:1]
CC[C@@H](C(=O)OCC(=O)N1CCCC1)c1cccc(C(F)(F)F)c1 O=C(N1CCCC1)[*:1] CC[C@@H](C(=O)OC[*:1])c1cccc(c1)C(F)(F)F
CC[C@@H](C(=O)OCC(=O)N1CCCC1)c1cccc(C(F)(F)F)c1 O=C(C[*:1])N1CCCC1 CC[C@@H](C(=O)O[*:1])c1cccc(c1)C(F)(F)F
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CCC#N)CC(F)(F)F)o1 N#CC[*:1] C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CC(F)(F)F)C[*:1])o1
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CCC#N)CC(F)(F)F)o1 N#CCC[*:1] C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CC(F)(F)F)[*:1])o1
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CCC#N)CC(F)(F)F)o1 FC(F)(F)C[*:1] C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CCC#N)[*:1])o1
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CCC#N)CC(F)(F)F)o1 FC(F)(F)[*:1] C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(CCC#N)C[*:1])o1
Cn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1N1CCOCC1 C1CN(CCO1)[*:1] Cn1c(nnc1[*:1])SCC(=O)c1ccc2CCCCc2c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(CC(=O)N[*:1])C(=O)c1cccc(c1)S(=O)(=O)N1CCCC1
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1 O=S(=O)(N1CCCC1)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc(c2)[*:1])c(C)c1
CC(C)c1cc(C(=O)NCCCCN2C[C@H](C)O[C@H](C)C2)nn1C CC(C)[*:1] C[C@H]1CN(CCCCNC(=O)c2cc(n(C)n2)[*:1])C[C@@H](C)O1
O=C(Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(c1ccccc1F)c1cc2OCCOc2cc1NC(=O)[*:1]
O=C(Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2)c1ccc(Br)cc1 O=C(c1ccccc1F)[*:1] O=C(Nc1cc2OCCOc2cc1[*:1])c1ccc(Br)cc1
O=C(Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2)c1ccc(Br)cc1 Fc1ccccc1[*:1] O=C(Nc1cc2OCCOc2cc1C(=O)[*:1])c1ccc(Br)cc1
CCCOc1ccccc1C(=O)[O-] CCC[*:1] O=C([O-])c1ccccc1O[*:1]
CCCOc1ccccc1C(=O)[O-] O=C([O-])[*:1] CCCOc1ccccc1[*:1]
CCCOc1ccccc1C(=O)[O-] CCCO[*:1] O=C([O-])c1ccccc1[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCC#Cc3ccccc3)C2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NCC#C[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCC#Cc3ccccc3)C2)CC1 C(#C[*:1])c1ccccc1 C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NC[*:1]
CC(=O)Nc1ccccc1C[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1 CC(=O)N[*:1] C[C@H](C(=O)N1CCCC1)N1CC[NH+](CC1)Cc1ccccc1[*:1]
CC(=O)Nc1ccccc1C[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CC(=O)Nc1ccccc1C[NH+]1CCN(CC1)[C@H](C)[*:1]
COC[C@@H](O)CN1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 COC[C@@H](O)[*:1] C[C@@H]1CC[C@@H](C1)[NH2+]C1CCN(CC1)C[*:1]
COC[C@@H](O)CN1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 COC[C@@H](O)C[*:1] C[C@@H]1CC[C@@H](C1)[NH2+]C1CCN(CC1)[*:1]
COC[C@@H](O)CN1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 COC[*:1] C[C@@H]1CC[C@@H](C1)[NH2+]C1CCN(CC1)C[C@H](O)[*:1]
CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C1 Fc1cccc(c1)O[*:1] CCN(CC)C(=O)[C@@H]1CCCN(C1)C(=O)c1cc(C[*:1])[nH]n1
CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C1 Fc1cccc(c1)[*:1] CCN(CC)C(=O)[C@@H]1CCCN(C1)C(=O)c1cc(CO[*:1])[nH]n1
CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C1 CCN(CC)C(=O)[*:1] O=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CCC[C@H](C1)[*:1]
CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C1 Fc1cccc(c1)OC[*:1] CCN(CC)C(=O)[C@@H]1CCCN(C1)C(=O)c1cc([nH]n1)[*:1]
O=C(NC[C@@H]1CCC[C@@H](O)C1)c1scnc1C1CC1 C1CC1[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)c1scnc1[*:1]
C/C(=C/C(=O)NC[C@@H](C)Cn1nc(C)cc1C)C(C)(C)C Cc1cc(C)n(n1)[*:1] C/C(=C/C(=O)NC[C@@H](C)C[*:1])C(C)(C)C
C/C(=C/C(=O)NC[C@@H](C)Cn1nc(C)cc1C)C(C)(C)C CC(=C[*:1])C(C)(C)C Cc1cc(C)n(C[C@H](C)CNC(=O)[*:1])n1
C/C(=C/C(=O)NC[C@@H](C)Cn1nc(C)cc1C)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)NC[C@@H](C)Cn1nc(C)cc1C)[*:1]
CCC[NH+](CC(=O)Nc1ccc(Cl)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 Clc1ccc(cc1)[*:1] CCC[NH+](CC(=O)N[*:1])Cc1nc2cc(Cl)ccc2c(=O)[nH]1
O=C(CSc1nnnn1C[C@H]1CCCO1)NC(=O)c1cccs1 c1csc(c1)[*:1] O=C(CSc1nnnn1C[C@H]1CCCO1)NC(=O)[*:1]
O=C(CSc1nnnn1C[C@H]1CCCO1)NC(=O)c1cccs1 C1CO[C@H](C1)[*:1] O=C(CSc1nnnn1C[*:1])NC(=O)c1cccs1
O=C(CSc1nnnn1C[C@H]1CCCO1)NC(=O)c1cccs1 C1CO[C@H](C1)C[*:1] O=C(CSc1nnnn1[*:1])NC(=O)c1cccs1
C[C@H](O/N=C(/N)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 c1ccc(cc1)[*:1] C[C@H](O/N=C(/N)C[*:1])C(=O)Nc1ccc(F)c(F)c1
C[C@H](O/N=C(/N)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 c1ccc(cc1)C[*:1] C[C@H](O/N=C(/N)[*:1])C(=O)Nc1ccc(F)c(F)c1
C[C@H](O/N=C(/N)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](O/N=C(/N)Cc1ccccc1)C(=O)N[*:1]
CN(C[C@@H]1CCCO1)C(=O)c1cccc(CSc2nccn2C)c1 C1CO[C@@H](C1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)CSc1nccn1C
CN(C[C@@H]1CCCO1)C(=O)c1cccc(CSc2nccn2C)c1 Cn1ccnc1S[*:1] CN(C[C@@H]1CCCO1)C(=O)c1cccc(c1)C[*:1]
CN(C[C@@H]1CCCO1)C(=O)c1cccc(CSc2nccn2C)c1 Cn1ccnc1SC[*:1] CN(C[C@@H]1CCCO1)C(=O)c1cccc(c1)[*:1]
CN(C[C@@H]1CCCO1)C(=O)c1cccc(CSc2nccn2C)c1 Cn1ccnc1[*:1] CN(C[C@@H]1CCCO1)C(=O)c1cccc(c1)CS[*:1]
CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)N2CCOc3ccccc3C2)C1 CS(=O)(=O)[*:1] O=C(N[C@H]1CCC[C@@H](C1)[*:1])N1CCOc2ccccc2C1
CC[C@H](C)NC(=O)Cn1cccc(-c2nc(-c3ccc(C)cc3)no2)c1=O CC[C@H](C)NC(=O)C[*:1] Cc1ccc(cc1)-c1noc(n1)-c1cccn(c1=O)[*:1]
CC[C@H](C)NC(=O)Cn1cccc(-c2nc(-c3ccc(C)cc3)no2)c1=O CC[C@H](C)[*:1] Cc1ccc(cc1)-c1noc(n1)-c1cccn(CC(=O)N[*:1])c1=O
CC[C@H](C)NC(=O)Cn1cccc(-c2nc(-c3ccc(C)cc3)no2)c1=O Cc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)Cn1cccc(-c2nc(no2)[*:1])c1=O
CN(c1ccc(Cl)c(C(=O)NCc2cccnc2)c1)S(C)(=O)=O c1cncc(c1)C[*:1] CN(c1ccc(Cl)c(c1)C(=O)N[*:1])S(C)(=O)=O
CN(c1ccc(Cl)c(C(=O)NCc2cccnc2)c1)S(C)(=O)=O c1cncc(c1)[*:1] CN(c1ccc(Cl)c(c1)C(=O)NC[*:1])S(C)(=O)=O
CN(c1ccc(Cl)c(C(=O)NCc2cccnc2)c1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C(NCc1cccnc1)c1cc(ccc1Cl)[*:1]
CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cc(F)ccc1C c1ccc(cc1)[*:1] CCn1nc(C)c2c1c(=O)n(C[*:1])c(=O)n2CC(=O)Nc1cc(F)ccc1C
CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cc(F)ccc1C Cc1ccc(F)cc1[*:1] CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)N[*:1]
CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cc(F)ccc1C Cc1ccc(F)cc1NC(=O)[*:1] CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2C[*:1]
CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cc(F)ccc1C c1ccc(cc1)C[*:1] CCn1nc(C)c2c1c(=O)n(c(=O)n2CC(=O)Nc1cc(F)ccc1C)[*:1]
CCC(C)(C)NC(=O)/C=C/c1cccc(C#N)c1 CCC(C)(C)[*:1] N#Cc1cccc(/C=C/C(=O)N[*:1])c1
CC(C)(C)NC(=O)N1CCn2nc(-c3ccccc3)nc2C1 CC(C)(C)[*:1] O=C(N[*:1])N1CCn2nc(nc2C1)-c1ccccc1
CC(C)(C)NC(=O)N1CCn2nc(-c3ccccc3)nc2C1 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)N1CCn2nc(nc2C1)[*:1]
COC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] COC(=O)[C@H](C)[C@@H](C)[NH2+]C[*:1]
COC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCO1 COC(=O)[*:1] C[C@@H]([NH2+]C[C@@H]1CCCO1)[C@@H](C)[*:1]
CCCCC[NH+](C)CC(=O)Nc1ccc(C#N)cc1 CCCCC[*:1] C[NH+](CC(=O)Nc1ccc(C#N)cc1)[*:1]
CCCCC[NH+](C)CC(=O)Nc1ccc(C#N)cc1 CCCC[*:1] C[NH+](CC(=O)Nc1ccc(C#N)cc1)C[*:1]
CCCCC[NH+](C)CC(=O)Nc1ccc(C#N)cc1 CCC[*:1] C[NH+](CC[*:1])CC(=O)Nc1ccc(C#N)cc1
Cc1nn2ncc(C(=O)NCCNC(=O)c3ccc(Cl)cc3)c2[nH]1 Clc1ccc(cc1)[*:1] Cc1nn2ncc(C(=O)NCCNC(=O)[*:1])c2[nH]1
COc1ccc(F)cc1S(=O)(=O)NCC1CCN(C(=O)Cc2cccs2)CC1 COc1ccc(F)cc1[*:1] O=C(Cc1cccs1)N1CCC(CC1)CNS(=O)(=O)[*:1]
COc1ccc(F)cc1S(=O)(=O)NCC1CCN(C(=O)Cc2cccs2)CC1 c1csc(c1)[*:1] COc1ccc(F)cc1S(=O)(=O)NCC1CCN(CC1)C(=O)C[*:1]
COc1ccc(F)cc1S(=O)(=O)NCC1CCN(C(=O)Cc2cccs2)CC1 c1csc(c1)C[*:1] COc1ccc(F)cc1S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@H](C(=O)Nc1cc(ccc1O)[N+](=O)[O-])c1ccccc1[*:1]
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1C(F)(F)F O=[N+]([O-])[*:1] C[C@H](C(=O)Nc1cc(ccc1O)[*:1])c1ccccc1C(F)(F)F
CC1=C(C#N)[C@](NC(=O)c2ccccc2)(C(F)(F)F)C(=O)N1 FC(F)(F)[*:1] CC1NC(=O)[C@@](NC(=O)c2ccccc2)(C=1C#N)[*:1]
CC1=C(C#N)[C@](NC(=O)c2ccccc2)(C(F)(F)F)C(=O)N1 c1ccc(cc1)[*:1] CC1NC(=O)[C@](NC(=O)[*:1])(C=1C#N)C(F)(F)F
O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Br Brc1ccccc1[*:1] O=C([O-])[C@H](Cc1ccc(cc1)[N+](=O)[O-])[*:1]
O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Br O=C([O-])[*:1] O=[N+]([O-])c1ccc(cc1)C[C@H](c1ccccc1Br)[*:1]
O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Br O=[N+]([O-])[*:1] O=C([O-])[C@H](Cc1ccc(cc1)[*:1])c1ccccc1Br
Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)N[C@H](C)c3ccccc3)CC1)C[C@@H](C)O2 c1ccc(cc1)[*:1] Cc1ccc2O[C@H](C)CN(C(=O)N3CCC(CC3)C(=O)N[C@H](C)[*:1])c2c1
Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)N[C@H](C)c3ccccc3)CC1)C[C@@H](C)O2 C[C@H](c1ccccc1)[*:1] Cc1ccc2O[C@H](C)CN(C(=O)N3CCC(CC3)C(=O)N[*:1])c2c1
Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)CN2CCOCC2)c(C)c1 C1CN(CCO1)C[*:1] Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)CN2CCOCC2)c(C)c1 C1CN(CCO1)[*:1] Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)C[*:1])c(C)c1
Cc1cccc(NC(=O)N2CCN(/C(=C/C#N)c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)N1CCN(CC1)/C(=C/C#N)[*:1]
Cc1cccc(NC(=O)N2CCN(/C(=C/C#N)c3ccc(F)cc3)CC2)c1 Cc1cccc(c1)[*:1] N#C/C=C(\c1ccc(F)cc1)N1CCN(CC1)C(=O)N[*:1]
COC(=O)c1nc(Cl)cc2[nH]ccc12 COC(=O)[*:1] Clc1cc2[nH]ccc2c(n1)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 c1cc(ccn1)[*:1] CC(C)N(C)S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 CC(C)N(C)S(=O)(=O)[*:1] O=C(NCc1ccncc1)c1cccc(c1)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 CC(C)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)NCc1ccncc1)[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1 c1cc(ccn1)C[*:1] CC(C)N(C)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1cc(F)ccc1F Fc1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)Nc1cc(F)ccc1F)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[*:1]
CN(C(=O)NCCCCC#N)C1c2ccccc2-c2ccccc21 N#CC[*:1] CN(C(=O)NCCC[*:1])C1c2ccccc2-c2ccccc21
CN(C(=O)NCCCCC#N)C1c2ccccc2-c2ccccc21 N#CCC[*:1] CN(C(=O)NCC[*:1])C1c2ccccc2-c2ccccc21
CN(C(=O)NCCCCC#N)C1c2ccccc2-c2ccccc21 N#CCCC[*:1] CN(C(=O)NC[*:1])C1c2ccccc2-c2ccccc21
CN(C(=O)NCCCCC#N)C1c2ccccc2-c2ccccc21 N#CCCCC[*:1] CN(C(=O)N[*:1])C1c2ccccc2-c2ccccc21
Cc1cc(N[C@H](C)c2cccc(S(N)(=O)=O)c2)n2ncnc2n1 NS(=O)(=O)[*:1] Cc1cc(N[C@H](C)c2cccc(c2)[*:1])n2ncnc2n1
CC1(C)CC(N(Cc2ccccn2)Cc2cccc3ncccc23)CC(C)(C)[NH2+]1 c1ccc(nc1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)N(Cc1cccc2ncccc12)C[*:1]
CC1(C)CC(N(Cc2ccccn2)Cc2cccc3ncccc23)CC(C)(C)[NH2+]1 c1ccc(C[*:1])nc1 CC1(C)CC(CC(C)(C)[NH2+]1)N(Cc1cccc2ncccc12)[*:1]
CN(C)c1ccc(C(=O)Nc2c3c(nn2C)CCC3)cc1 CN(C)[*:1] Cn1nc2CCCc2c1NC(=O)c1ccc(cc1)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)NC[C@H]([NH+]1CCCC1)[*:1])-c1c(F)cccc1Cl
COC(=O)c1ccc(C(=O)N2CCC(Oc3nc4c(C)ccc(C)c4s3)CC2)cc1 COC(=O)[*:1] Cc1ccc(C)c2sc(nc12)OC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)N2CCC(Oc3nc4c(C)ccc(C)c4s3)CC2)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1ccc(C)c2sc(nc12)OC1CCN(CC1)C(=O)[*:1]
Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)N4CCCCC4)ccc23)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)-c1cn2c(n1)sc1cc(ccc12)[*:1]
Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)N4CCCCC4)ccc23)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc2c(c1)sc1nc(cn12)[*:1])N1CCCCC1
COc1ccc(Nc2nc(C(=O)NC3CCCC3)cs2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)Nc1nc(cs1)C(=O)N[*:1]
C[C@H](NC(=O)N1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)N1CCCCCC1)c1ccc(cc1)[*:1]
O=C([O-])c1cncc(Nc2nc3c(s2)CCC3)n1 O=C([O-])[*:1] c1ncc(nc1Nc1nc2CCCc2s1)[*:1]
Cc1ccc(NC(=O)C[NH+](CCO)C2CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)NC(=O)C[NH+](CCO)[*:1]
C/C(=C\C(=O)NC[C@H]1CCS(=O)(=O)C1)CCc1ccccc1 c1ccc(cc1)C[*:1] C/C(=C\C(=O)NC[C@H]1CCS(=O)(=O)C1)C[*:1]
C/C(=C\C(=O)NC[C@H]1CCS(=O)(=O)C1)CCc1ccccc1 c1ccc(cc1)[*:1] C/C(=C\C(=O)NC[C@H]1CCS(=O)(=O)C1)CC[*:1]
CS(=O)(=O)c1cccc(-c2ccc(O)c(C=O)c2)c1 CS(=O)(=O)[*:1] O=Cc1cc(ccc1O)-c1cccc(c1)[*:1]
CC(C)COc1ncccc1C(=O)N(C(C)C)C1CCC1 C1CC(C1)[*:1] CC(C)COc1ncccc1C(=O)N(C(C)C)[*:1]
CC(C)COc1ncccc1C(=O)N(C(C)C)C1CCC1 CC(C)[*:1] CC(C)N(C(=O)c1cccnc1OC[*:1])C1CCC1
CC(C)COc1ncccc1C(=O)N(C(C)C)C1CCC1 CC(C)C[*:1] CC(C)N(C(=O)c1cccnc1O[*:1])C1CCC1
CC(C)COc1ncccc1C(=O)N(C(C)C)C1CCC1 CC(C)CO[*:1] CC(C)N(C(=O)c1cccnc1[*:1])C1CCC1
CC(C)COc1ncccc1C(=O)N(C(C)C)C1CCC1 CC(C)[*:1] CC(C)COc1ncccc1C(=O)N(C1CCC1)[*:1]
COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 CC(C)[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 COc1cccc(c1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 COc1cccc(c1)C[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 CC(C)c1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCc1ccc(CN2CCO[C@H](CC(=O)OC)C2)o1 COC(=O)C[*:1] CCc1ccc(CN2CCO[C@H](C2)[*:1])o1
CCc1ccc(CN2CCO[C@H](CC(=O)OC)C2)o1 COC(=O)[*:1] CCc1ccc(CN2CCO[C@@H](C2)C[*:1])o1
COc1ccc(F)cc1NC(=O)c1ccnc(C2CCCC2)n1 C1CCC(C1)[*:1] COc1ccc(F)cc1NC(=O)c1ccnc(n1)[*:1]
C[NH+](CCC1CCCCC1)Cc1noc(-c2ccoc2)n1 c1cc(co1)[*:1] C[NH+](CCC1CCCCC1)Cc1noc(n1)[*:1]
C[NH+](CCC1CCCCC1)Cc1noc(-c2ccoc2)n1 C1CCC(CC1)C[*:1] C[NH+](Cc1noc(n1)-c1ccoc1)C[*:1]
C[NH+](CCC1CCCCC1)Cc1noc(-c2ccoc2)n1 C1CCC(CC1)[*:1] C[NH+](CC[*:1])Cc1noc(n1)-c1ccoc1
CO[C@]1(C)C[C@H](NC(=O)NCc2ccnn2C)C1(C)C Cn1nccc1[*:1] CO[C@]1(C)C[C@H](NC(=O)NC[*:1])C1(C)C
CN(C)C(=O)c1ccc(F)c(NC(=O)NC[C@H](O)c2ccccc2F)c1 Fc1ccccc1[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)NC[C@H](O)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)NC[C@H](O)c2ccccc2F)c1 CN(C)C(=O)[*:1] O=C(NC[C@H](O)c1ccccc1F)Nc1cc(ccc1F)[*:1]
NC(=O)CCCNC(=O)C1(c2ccc3c(c2)OCO3)CCCCC1 NC(=O)CC[*:1] O=C(NC[*:1])C1(CCCCC1)c1ccc2OCOc2c1
NC(=O)CCCNC(=O)C1(c2ccc3c(c2)OCO3)CCCCC1 NC(=O)CCC[*:1] O=C(N[*:1])C1(CCCCC1)c1ccc2OCOc2c1
NC(=O)CCCNC(=O)C1(c2ccc3c(c2)OCO3)CCCCC1 NC(=O)[*:1] O=C(NCCC[*:1])C1(CCCCC1)c1ccc2OCOc2c1
NC(=O)CCCNC(=O)C1(c2ccc3c(c2)OCO3)CCCCC1 NC(=O)C[*:1] O=C(NCC[*:1])C1(CCCCC1)c1ccc2OCOc2c1
O=C(Nc1cc(-c2ccncc2)n[nH]1)c1ccc(Cl)cc1Cl c1cc(ccn1)[*:1] O=C(Nc1cc(n[nH]1)[*:1])c1ccc(Cl)cc1Cl
Cc1cc([C@](C)(O)CNC(=O)[C@H]2CCO[C@@H]2C)c(C)o1 C[C@H]1OCC[C@@H]1[*:1] Cc1cc(c(C)o1)[C@](C)(O)CNC(=O)[*:1]
Cc1ccccc1C[C@H](C)NC(=O)CCc1cnn(C)c1 Cn1cc(cn1)C[*:1] Cc1ccccc1C[C@H](C)NC(=O)C[*:1]
Cc1ccccc1C[C@H](C)NC(=O)CCc1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1ccccc1C[C@H](C)NC(=O)CC[*:1]
Cc1ccccc1C[C@H](C)NC(=O)CCc1cnn(C)c1 Cc1ccccc1[*:1] C[C@@H](C[*:1])NC(=O)CCc1cnn(C)c1
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 O=C(c1ccco1)[*:1] CN1C[C@H](c2cccc(c2)[N+](=O)[O-])[C@@H]([C@@]12C(=O)Nc1ccccc12)[*:1]
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 O=[N+]([O-])[*:1] CN1C[C@H](c2cccc(c2)[*:1])[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 c1coc(c1)[*:1] CN1C[C@H](c2cccc(c2)[N+](=O)[O-])[C@@H](C(=O)[*:1])[C@@]12C(=O)Nc1ccccc12
CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 O=[N+]([O-])c1cccc(c1)[*:1] CN1C[C@H]([C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12)[*:1]
CCN[C@@H](Cc1nc(C)c(C)s1)C(C)(C)[NH+](C)C CCN[*:1] Cc1nc(C[C@@H](C(C)(C)[NH+](C)C)[*:1])sc1C
CN1C(=O)CC[C@@H](C(=O)NCc2ccc(F)cc2)[C@H]1c1cccs1 Fc1ccc(cc1)[*:1] CN1C(=O)CC[C@@H](C(=O)NC[*:1])[C@H]1c1cccs1
CN1C(=O)CC[C@@H](C(=O)NCc2ccc(F)cc2)[C@H]1c1cccs1 c1csc(c1)[*:1] CN1C(=O)CC[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]1[*:1]
CN1C(=O)CC[C@@H](C(=O)NCc2ccc(F)cc2)[C@H]1c1cccs1 Fc1ccc(cc1)C[*:1] CN1C(=O)CC[C@@H](C(=O)N[*:1])[C@H]1c1cccs1
CSCC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 CSC[*:1] C[C@H](C[*:1])NC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1
CSCC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 CSCC[C@@H](C)[*:1] CN1C(=O)C[C@H](NC(=O)N[*:1])[C@H]1c1ccc(Cl)cc1
CSCC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CSCC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(C)[C@H]1[*:1]
CSCC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 CSCC[*:1] C[C@@H](NC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)[*:1]
COc1ccc(Cn2c(SCCC(=O)[O-])nc3ccc(Cl)cc3c2=O)cc1 COc1ccc(cc1)[*:1] O=C([O-])CCSc1nc2ccc(Cl)cc2c(=O)n1C[*:1]
COc1ccc(Cn2c(SCCC(=O)[O-])nc3ccc(Cl)cc3c2=O)cc1 COc1ccc(cc1)C[*:1] O=C([O-])CCSc1nc2ccc(Cl)cc2c(=O)n1[*:1]
COc1ccc(Cn2c(SCCC(=O)[O-])nc3ccc(Cl)cc3c2=O)cc1 O=C([O-])[*:1] COc1ccc(cc1)Cn1c(nc2ccc(Cl)cc2c1=O)SCC[*:1]
COc1ccc(Cn2c(SCCC(=O)[O-])nc3ccc(Cl)cc3c2=O)cc1 O=C([O-])C[*:1] COc1ccc(cc1)Cn1c(nc2ccc(Cl)cc2c1=O)SC[*:1]
COc1ccc(Cn2c(SCCC(=O)[O-])nc3ccc(Cl)cc3c2=O)cc1 O=C([O-])CCS[*:1] COc1ccc(cc1)Cn1c(nc2ccc(Cl)cc2c1=O)[*:1]
C[NH2+]Cc1cccc2c1ccn2CC(C)(C)C(=O)OC COC(=O)[*:1] C[NH2+]Cc1cccc2c1ccn2CC(C)(C)[*:1]
COc1cccc(N2CCN(C(=O)[C@H]3C=C(c4ccccc4)N=N3)CC2)c1 COc1cccc(c1)[*:1] O=C([C@H]1C=C(N=N1)c1ccccc1)N1CCN(CC1)[*:1]
COc1cccc(N2CCN(C(=O)[C@H]3C=C(c4ccccc4)N=N3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)[C@H]1C=C(N=N1)[*:1]
O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(cc1)[*:1]
O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(cc1)O[*:1]
CC(C)(CO)CCCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CC(C)(CO)CCC[*:1] O=C(N[C@@H]1CCN(C1=O)c1c(F)cccc1F)N[*:1]
CC(C)(CO)CCCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CC(C)(CO)CC[*:1] O=C(NC[*:1])N[C@@H]1CCN(C1=O)c1c(F)cccc1F
CC(C)(CO)CCCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CC(C)(CO)C[*:1] O=C(NCC[*:1])N[C@@H]1CCN(C1=O)c1c(F)cccc1F
CC(C)(CO)CCCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] CC(C)(CO)CCCNC(=O)N[C@@H]1CCN(C1=O)[*:1]
CC(C)(CO)CCCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O CC(C)(CO)[*:1] O=C(NCCC[*:1])N[C@@H]1CCN(C1=O)c1c(F)cccc1F
CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc2c(c1)OCCO2 CCCO[*:1] Cc1cc2nc(C(=O)Nc3ccc4OCCOc4c3)c(nc2cc1C)[*:1]
CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc2c(c1)OCCO2 CCC[*:1] Cc1cc2nc(O[*:1])c(nc2cc1C)C(=O)Nc1ccc2OCCOc2c1
Cc1nc(C)c(-c2nnc(SCc3ccn(-c4ccccc4)n3)o2)s1 Cc1nc(C)c(s1)[*:1] c1ccc(cc1)-n1ccc(CSc2nnc(o2)[*:1])n1
Cc1nc(C)c(-c2nnc(SCc3ccn(-c4ccccc4)n3)o2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)-c1nnc(o1)SCc1ccn(n1)[*:1]
Cn1c(=O)c(=O)n(Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)c2ccccc21 Clc1ccc(cc1)C[*:1] Cn1c(=O)c(=O)n(Cc2ccc(cc2)C(=O)N[*:1])c2ccccc21
Cn1c(=O)c(=O)n(Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)c2ccccc21 Clc1ccc(cc1)[*:1] Cn1c(=O)c(=O)n(Cc2ccc(cc2)C(=O)NC[*:1])c2ccccc21
O=C(Nc1ccccc1C(=O)[O-])c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 O=C([O-])c1ccccc1[*:1] O=C(Nc1ccccc1C(=O)[O-])c1ccc(cc1)C(=O)N[*:1]
O=C(Nc1ccccc1C(=O)[O-])c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 O=C([O-])[*:1] O=C(Nc1ccccc1C(=O)[O-])c1ccc(cc1)C(=O)Nc1ccccc1[*:1]
C[C@@H](O)[C@@H](C)Sc1ccc(C(=O)[O-])cn1 C[C@@H](O)[*:1] C[C@@H](Sc1ccc(cn1)C(=O)[O-])[*:1]
C[C@@H](O)[C@@H](C)Sc1ccc(C(=O)[O-])cn1 C[C@@H](O)[C@@H](C)[*:1] O=C([O-])c1ccc(nc1)S[*:1]
C[C@@H](O)[C@@H](C)Sc1ccc(C(=O)[O-])cn1 O=C([O-])[*:1] C[C@@H](O)[C@@H](C)Sc1ccc(cn1)[*:1]
C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1 C=CC[*:1] O=C(CSc1nnc(-c2ccccc2)n1[*:1])N1CCOCC1
C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1 O=C(N1CCOCC1)[*:1] C=CCn1c(nnc1-c1ccccc1)SC[*:1]
C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)N1CCOCC1
CCC[C@@H]([NH3+])c1noc([C@@H]2Cc3ccccc3S2)n1 CCC[*:1] [NH3+][C@@H](c1noc(n1)[C@@H]1Cc2ccccc2S1)[*:1]
C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(cc1)[*:1]
CC(=O)Nc1nc(-c2ccccc2)ns1 CC(=O)N[*:1] c1ccc(cc1)-c1nsc(n1)[*:1]
COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3ccc4c(c3)OCCO4)nc2c1 c1cc2OCCOc2cc1[*:1] COc1ccc2sc(nc2c1)N(CCN1CCOCC1)C(=O)[*:1]
COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3ccc4c(c3)OCCO4)nc2c1 C1CN(CCO1)C[*:1] COc1ccc2sc(nc2c1)N(C[*:1])C(=O)c1ccc2OCCOc2c1
COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3ccc4c(c3)OCCO4)nc2c1 C1CN(CCO1)[*:1] COc1ccc2sc(nc2c1)N(CC[*:1])C(=O)c1ccc2OCCOc2c1
COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3ccc4c(c3)OCCO4)nc2c1 C1CN(CCO1)CC[*:1] COc1ccc2sc(nc2c1)N(C(=O)c1ccc2OCCOc2c1)[*:1]
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccs1)c1cc2ccccc2o1 c1ccc(cc1)[*:1] O=C(C1=C(O)C(=O)N(CC[*:1])[C@H]1c1cccs1)c1cc2ccccc2o1
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccs1)c1cc2ccccc2o1 c1ccc(cc1)CC[*:1] O=C(C1=C(O)C(=O)N([C@H]1c1cccs1)[*:1])c1cc2ccccc2o1
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccs1)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] O=C1C(O)=C(C(=O)[*:1])[C@H](c2cccs2)N1CCc1ccccc1
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccs1)c1cc2ccccc2o1 c1csc(c1)[*:1] O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1[*:1])c1cc2ccccc2o1
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccs1)c1cc2ccccc2o1 c1ccc(cc1)C[*:1] O=C(C1=C(O)C(=O)N(C[*:1])[C@H]1c1cccs1)c1cc2ccccc2o1
C=CCNC(=O)NC(=O)CN1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] C=CCNC(=O)NC(=O)CN1CCC(O)(CC1)[*:1]
C=CCNC(=O)NC(=O)CN1CCC(O)(C(F)(F)F)CC1 C=CC[*:1] O=C(CN1CCC(O)(CC1)C(F)(F)F)NC(=O)N[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@H](C)Oc2ccccc2F)s1 Fc1ccccc1[*:1] Cc1nc(C)c(s1)[C@@H](C)N(C)C(=O)NC[C@H](C)O[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@H](C)Oc2ccccc2F)s1 Cc1nc(C)c(s1)[*:1] C[C@@H](CNC(=O)N(C)[C@H](C)[*:1])Oc1ccccc1F
Cc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@H](C)Oc2ccccc2F)s1 Fc1ccccc1O[*:1] Cc1nc(C)c(s1)[C@@H](C)N(C)C(=O)NC[C@H](C)[*:1]
CCCCCc1nnc(NC(=O)c2ccc(C(F)(F)F)nc2[O-])s1 CCCC[*:1] O=C(Nc1nnc(C[*:1])s1)c1ccc(nc1[O-])C(F)(F)F
CCCCCc1nnc(NC(=O)c2ccc(C(F)(F)F)nc2[O-])s1 FC(F)(F)[*:1] CCCCCc1nnc(NC(=O)c2ccc(nc2[O-])[*:1])s1
CCCCCc1nnc(NC(=O)c2ccc(C(F)(F)F)nc2[O-])s1 CCC[*:1] O=C(Nc1nnc(CC[*:1])s1)c1ccc(nc1[O-])C(F)(F)F
CCCCCc1nnc(NC(=O)c2ccc(C(F)(F)F)nc2[O-])s1 CCCCC[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(nc1[O-])C(F)(F)F
Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)o1 c1ccc(cc1)[*:1] Cc1cc(c(C)cc1-c1ccc(/C=N/c2c(C)n(C)n(c2=O)[*:1])o1)[N+](=O)[O-]
Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)o1 O=[N+]([O-])[*:1] Cc1cc(c(C)cc1-c1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)o1)[*:1]
CC(=O)c1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)cc1 CC(=O)[*:1] O=C(Cn1c2Oc3ccccc3Cc2c(=O)n1-c1ccccc1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)Cn1c2Oc3ccccc3Cc2c(=O)n1[*:1]
CC(=O)c1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Cn1c2Oc3ccccc3Cc2c(=O)n1-c1ccccc1)N[*:1]
CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CCOC(=O)CC[*:1] C[C@H](NC(=O)N1CCC[C@H](C1)c1nnc2ccccn12)[*:1]
CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CCOC(=O)C[*:1] C[C@@H](C[*:1])NC(=O)N1CCC[C@H](C1)c1nnc2ccccn12
CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CCOC(=O)[*:1] C[C@@H](CC[*:1])NC(=O)N1CCC[C@H](C1)c1nnc2ccccn12
CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 CCOC(=O)CC[C@H](C)[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 c1ccn2c(nnc2c1)[*:1] CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H](C1)[*:1]
Cc1cccc(CN2CCC[C@](O)(C[NH2+]CC[NH+]3CCCCC3)C2=O)c1 Cc1cccc(c1)[*:1] O=C1N(CCC[C@]1(O)C[NH2+]CC[NH+]1CCCCC1)C[*:1]
Cc1cccc(CN2CCC[C@](O)(C[NH2+]CC[NH+]3CCCCC3)C2=O)c1 Cc1cccc(c1)C[*:1] O=C1N(CCC[C@]1(O)C[NH2+]CC[NH+]1CCCCC1)[*:1]
CCC(CC)[C@H]([NH2+]C)C(N)=O NC(=O)[*:1] CCC(CC)[C@H]([NH2+]C)[*:1]
COC(=O)c1cccc(C(=O)NCCc2cnn(-c3ccccc3)c2)n1 COC(=O)[*:1] O=C(NCCc1cnn(c1)-c1ccccc1)c1cccc(n1)[*:1]
COC(=O)c1cccc(C(=O)NCCc2cnn(-c3ccccc3)c2)n1 c1ccc(cc1)[*:1] COC(=O)c1cccc(n1)C(=O)NCCc1cnn(c1)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C(=O)N2CCN(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)CC2)c(C)o1 C1CC1[*:1] Cc1cc(C(=O)N2CCN(CC2)C(=O)N[C@H]2CC(=O)N(C2)[*:1])c(C)o1
C[C@H](NC1CCN(C(=O)CC(C)(C)C)CC1)C(=O)N1CCOCC1 CC(C)(C)C[*:1] C[C@H](NC1CCN(CC1)C(=O)[*:1])C(=O)N1CCOCC1
C[C@H](NC1CCN(C(=O)CC(C)(C)C)CC1)C(=O)N1CCOCC1 CC(C)(C)[*:1] C[C@H](NC1CCN(CC1)C(=O)C[*:1])C(=O)N1CCOCC1
C[C@H](NC1CCN(C(=O)CC(C)(C)C)CC1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] C[C@H](NC1CCN(CC1)C(=O)CC(C)(C)C)[*:1]
COCCOc1ncccc1C(=O)N1C[C@H](C)CC[C@H]1C COCCO[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccnc1[*:1]
COCCOc1ncccc1C(=O)N1C[C@H](C)CC[C@H]1C COCC[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccnc1O[*:1]
COCCOc1ncccc1C(=O)N1C[C@H](C)CC[C@H]1C COC[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccnc1OC[*:1]
C[C@H]1C[C@@H]1c1ccc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)o1 C[C@H]1C[C@H]1[*:1] O[C@@H](C[C@H]1COCCN1Cc1ccc(o1)[*:1])c1cccs1
C[C@H]1C[C@@H]1c1ccc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)o1 c1csc(c1)[*:1] C[C@H]1C[C@@H]1c1ccc(CN2CCOC[C@@H]2C[C@H](O)[*:1])o1
C[C@H]1C[C@@H]1c1ccc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)o1 O[C@@H](C[*:1])c1cccs1 C[C@H]1C[C@@H]1c1ccc(CN2CCOC[C@H]2[*:1])o1
C[C@H]1C[C@@H]1c1ccc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)o1 O[C@H](c1cccs1)[*:1] C[C@H]1C[C@@H]1c1ccc(CN2CCOC[C@@H]2C[*:1])o1
Cc1sc2nc3c(S[C@H](C)C(=O)[O-])cc(C(=O)c4ccccc4O)cn3c(=O)c2c1C Oc1ccccc1[*:1] Cc1sc2nc3c(cc(cn3c(=O)c2c1C)C(=O)[*:1])S[C@H](C)C(=O)[O-]
Cc1sc2nc3c(S[C@H](C)C(=O)[O-])cc(C(=O)c4ccccc4O)cn3c(=O)c2c1C O=C(c1ccccc1O)[*:1] Cc1sc2nc3c(cc(cn3c(=O)c2c1C)[*:1])S[C@H](C)C(=O)[O-]
Cc1sc2nc3c(S[C@H](C)C(=O)[O-])cc(C(=O)c4ccccc4O)cn3c(=O)c2c1C O=C([O-])[*:1] Cc1sc2nc3c(cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O)S[C@H](C)[*:1]
C=CCCCN(C)C(=O)NC1CC[NH+](CCC)CC1 C=CCCC[*:1] CCC[NH+]1CCC(CC1)NC(=O)N(C)[*:1]
C=CCCCN(C)C(=O)NC1CC[NH+](CCC)CC1 CCC[*:1] C=CCCCN(C)C(=O)NC1CC[NH+](CC1)[*:1]
C=CCCCN(C)C(=O)NC1CC[NH+](CCC)CC1 C=CCC[*:1] CCC[NH+]1CCC(CC1)NC(=O)N(C)C[*:1]
C=CCCCN(C)C(=O)NC1CC[NH+](CCC)CC1 C=CC[*:1] CCC[NH+]1CCC(CC1)NC(=O)N(C)CC[*:1]
O=C(Oc1ccc(Oc2ccccn2)cc1)c1ccco1 c1ccc(nc1)O[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccco1
O=C(Oc1ccc(Oc2ccccn2)cc1)c1ccco1 c1ccc(nc1)[*:1] O=C(Oc1ccc(cc1)O[*:1])c1ccco1
O=C(Oc1ccc(Oc2ccccn2)cc1)c1ccco1 c1coc(c1)[*:1] O=C(Oc1ccc(cc1)Oc1ccccn1)[*:1]
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(C)c(=O)n1N CCOC(=O)[*:1] Cc1[nH]c(C)c(c1C(=O)CSc1nnc(C)c(=O)n1N)[*:1]
C[C@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 C[C@H](c1cccc(Cl)c1)[*:1] O=C(CN1CCN(CC1)c1ccccc1[N+](=O)[O-])N[*:1]
C[C@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)CN1CCN(CC1)c1ccccc1[N+](=O)[O-])[*:1]
C[C@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 O=[N+]([O-])[*:1] C[C@H](NC(=O)CN1CCN(CC1)c1ccccc1[*:1])c1cccc(Cl)c1
C[C@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 O=[N+]([O-])c1ccccc1[*:1] C[C@H](NC(=O)CN1CCN(CC1)[*:1])c1cccc(Cl)c1
C[C@H]1CCC[C@H](C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 c1ccc(cc1)C[*:1] C[C@H]1CCC[C@@H](C1)C(=O)NC[C@@H]1CC(=O)N(C1)[*:1]
C[C@H]1CCC[C@H](C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C1)C(=O)NC[C@@H]1CC(=O)N(C1)C[*:1]
CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1COCC(=O)N1C[*:1]
CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1COCC(=O)N1[*:1]
O=C(C[C@H](O)c1cccc(F)c1)N[C@@H]1CCCN(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N[C@@H]1CCCN(C1)[*:1]
O=C(C[C@H](O)c1cccc(F)c1)N[C@@H]1CCCN(c2ccccc2)C1 Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])N[C@@H]1CCCN(C1)c1ccccc1
C[C@@H]1CCC[C@@H](NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)C1 C1CO[C@@H](C1)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)OC[*:1]
C[C@@H]1CCC[C@@H](NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)C1 C1CO[C@@H](C1)CO[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)[*:1]
C[C@@H]1CCC[C@@H](NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)C1 C[C@@H]1CCC[C@@H](C1)[*:1] O=C(N[*:1])N1CCC(CC1)OC[C@@H]1CCCO1
C[C@@H]1CCC[C@@H](NC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)C1 C1CO[C@@H](C1)C[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)O[*:1]
CCOC[C@@H]1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)C1 CCOC[*:1] O=C(CSc1cccc(c1)C(F)(F)F)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)C1 CCO[*:1] O=C(CSc1cccc(c1)C(F)(F)F)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CCOC[C@@H]1CCN(C1)C(=O)CSc1cccc(c1)[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2COc3ccc(F)cc3C2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CNC(=O)[C@@H]1COc2ccc(F)cc2C1)N[*:1]
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1cccc(C(C)C)c1 O=[N+]([O-])[*:1] Cc1cccc(c1S(=O)(=O)Oc1cccc(c1)C(C)C)[*:1]
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Oc1cccc(C(C)C)c1 CC(C)[*:1] Cc1cccc(c1S(=O)(=O)Oc1cccc(c1)[*:1])[N+](=O)[O-]
COc1cc(NC(=O)c2cccc(C)c2)ccc1NC(=O)OC(C)(C)C CC(C)(C)[*:1] COc1cc(ccc1NC(=O)O[*:1])NC(=O)c1cccc(C)c1
COc1cc(NC(=O)c2cccc(C)c2)ccc1NC(=O)OC(C)(C)C Cc1cccc(c1)[*:1] COc1cc(ccc1NC(=O)OC(C)(C)C)NC(=O)[*:1]
COc1cc(NC(=O)c2cccc(C)c2)ccc1NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)c1cccc(C)c1
O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(c1ccc2CCCc2c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 c1cc2CCCc2cc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1Cl)[*:1]
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccccc1[NH+]1CCCCC1 O=C([O-])[*:1] O=S(=O)([N-]c1ccccc1[NH+]1CCCCC1)c1ccsc1[*:1]
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccccc1[NH+]1CCCCC1 O=C([O-])c1sccc1[*:1] O=S(=O)([N-]c1ccccc1[NH+]1CCCCC1)[*:1]
Cc1cccc(CNS(=O)(=O)Cc2c(F)cccc2Cl)c1 Cc1cccc(c1)[*:1] O=S(=O)(Cc1c(F)cccc1Cl)NC[*:1]
CC(C)C[NH+]1CCC(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 CC(C)C[*:1] O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCC(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 CC(C)[*:1] O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1CC[NH+](CC1)C[*:1]
CCS(=O)(=O)c1ccccc1NCc1c[nH+]cn1C1CC1 CCS(=O)(=O)[*:1] c1ccc(c(c1)NCc1c[nH+]cn1C1CC1)[*:1]
CCS(=O)(=O)c1ccccc1NCc1c[nH+]cn1C1CC1 C1CC1[*:1] CCS(=O)(=O)c1ccccc1NCc1c[nH+]cn1[*:1]
CC(=O)N/C(=C/c1ccccc1)C(=O)NCCc1cc(C)cc(C)c1 c1ccc(cc1)[*:1] CC(=O)NC(=C[*:1])C(=O)NCCc1cc(C)cc(C)c1
CC(=O)N/C(=C/c1ccccc1)C(=O)NCCc1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] CC(=O)N/C(=C/c1ccccc1)C(=O)NCC[*:1]
CC(=O)N/C(=C/c1ccccc1)C(=O)NCCc1cc(C)cc(C)c1 CC(=O)N[*:1] Cc1cc(C)cc(c1)CCNC(=O)C(=Cc1ccccc1)[*:1]
Cc1cccc(NC(=O)NCC(=O)N2[C@H](C)COC[C@H]2C)c1 Cc1cccc(c1)[*:1] C[C@@H]1COC[C@@H](C)N1C(=O)CNC(=O)N[*:1]
CCOc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2onc(C)c21 CCO[*:1] Cc1noc2NC3CCCC(=O)C=3[C@H](c3ccccc3[*:1])c12
c1ccc(CSCCCN2CCO[C@@H](c3nccs3)C2)cc1 c1ccc(cc1)[*:1] c1csc(n1)[C@H]1CN(CCCSC[*:1])CCO1
c1ccc(CSCCCN2CCO[C@@H](c3nccs3)C2)cc1 c1csc(n1)[*:1] c1ccc(cc1)CSCCCN1CCO[C@@H](C1)[*:1]
c1ccc(CSCCCN2CCO[C@@H](c3nccs3)C2)cc1 c1ccc(cc1)C[*:1] c1csc(n1)[C@H]1CN(CCCS[*:1])CCO1
Clc1ccc(Nc2nc(-c3cccnc3)cs2)cc1 c1cncc(c1)[*:1] Clc1ccc(cc1)Nc1nc(cs1)[*:1]
COC(=O)c1cccc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1 C1CC1C[*:1] COC(=O)c1cccc(n1)N1CCC[C@@H](C1)C(=O)N[*:1]
COC(=O)c1cccc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1 O=C(NCC1CC1)[*:1] COC(=O)c1cccc(n1)N1CCC[C@H](C1)[*:1]
COC(=O)c1cccc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1 COC(=O)[*:1] O=C(NCC1CC1)[C@H]1CCCN(C1)c1cccc(n1)[*:1]
COC(=O)c1cccc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1 C1CC1[*:1] COC(=O)c1cccc(n1)N1CCC[C@@H](C1)C(=O)NC[*:1]
COc1ccc2[nH]cc(CC(=O)N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)c2c1 CS(=O)(=O)[*:1] COc1ccc2[nH]cc(CC(=O)N[C@H]3CCC[C@@H](C3)[*:1])c2c1
CCOC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1nnn(-c2ccccc2)c1[*:1]
CCOC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)c1nnn(c1-c1ccccc1)[*:1]
CCOC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccccc2)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1nnn(-c2ccccc2)c1-c1ccccc1
O=C(Oc1cccc([N+](=O)[O-])c1)C1(c2cccc(C(F)(F)F)c2)CCOCC1 FC(F)(F)[*:1] O=C(Oc1cccc(c1)[N+](=O)[O-])C1(CCOCC1)c1cccc(c1)[*:1]
O=C(Oc1cccc([N+](=O)[O-])c1)C1(c2cccc(C(F)(F)F)c2)CCOCC1 O=[N+]([O-])[*:1] O=C(Oc1cccc(c1)[*:1])C1(CCOCC1)c1cccc(c1)C(F)(F)F
O=C(Oc1cccc([N+](=O)[O-])c1)C1(c2cccc(C(F)(F)F)c2)CCOCC1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(O[*:1])C1(CCOCC1)c1cccc(c1)C(F)(F)F
Cc1ccc(-c2cc(C(=O)N(CC(N)=O)C(C)C)c3ccccc3n2)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1cc(C(=O)N(C[*:1])C(C)C)c2ccccc2n1
Cc1ccc(-c2cc(C(=O)N(CC(N)=O)C(C)C)c3ccccc3n2)cc1 Cc1ccc(cc1)[*:1] CC(C)N(CC(N)=O)C(=O)c1cc(nc2ccccc12)[*:1]
Cc1ccc(-c2cc(C(=O)N(CC(N)=O)C(C)C)c3ccccc3n2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1cc(C(=O)N(CC(N)=O)[*:1])c2ccccc2n1
Cc1ccc(-c2cc(C(=O)N(CC(N)=O)C(C)C)c3ccccc3n2)cc1 NC(=O)C[*:1] Cc1ccc(cc1)-c1cc(C(=O)N(C(C)C)[*:1])c2ccccc2n1
NC(=O)c1cccc(C[C@H]2CCN(C(=O)c3ncccc3[O-])C2)c1 [O-]c1cccnc1[*:1] NC(=O)c1cccc(c1)C[C@H]1CCN(C1)C(=O)[*:1]
NC(=O)c1cccc(C[C@H]2CCN(C(=O)c3ncccc3[O-])C2)c1 NC(=O)[*:1] O=C(c1ncccc1[O-])N1CC[C@H](Cc2cccc(c2)[*:1])C1
COc1cc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1NC(C)=O O=[N+]([O-])[*:1] COc1cc(ccc1NC(C)=O)S(=O)(=O)Nc1ccc(C)c(c1)[*:1]
COc1cc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])S(=O)(=O)Nc1ccc(C)c(c1)[N+](=O)[O-]
CC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 N#Cc1ccccc1O[*:1] CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 CC(=O)N[*:1] N#Cc1ccccc1Oc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 N#Cc1ccccc1[*:1] CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(cc1)O[*:1]
O=C(NCCCc1ccccc1)[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCc1ccccc1)[C@H]1C[C@@H]1[*:1]
O=C(NCCCc1ccccc1)[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])[C@H]1C[C@H]1c1ccccc1
O=C(NCCCc1ccccc1)[C@H]1C[C@H]1c1ccccc1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])[C@H]1C[C@H]1c1ccccc1
Cc1cccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccc(C)c(C)c4)c3C2=O)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1C)-n1nc(C)c2c3C(=O)N(C(=O)c3cnc21)[*:1]
Cc1cccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccc(C)c(C)c4)c3C2=O)c1 Cc1ccc(cc1C)[*:1] Cc1cccc(c1)N1C(=O)c2cnc3c(c(C)nn3[*:1])c2C1=O
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1 c1ccc(nc1)[*:1] CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1[*:1]
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1 c1cncc(c1)[*:1] CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccn1
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1 CCO[*:1] O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccccn1)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1 c1cncc(c1)C[*:1] CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccn1)[*:1]
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1 CCOc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccn2)N1Cc1cccnc1
CC[C@@H](CO)N1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC[C@@H](CO)N1CCN(CC1)CC(=O)NNC(=O)[*:1]
C[C@@]1(CNC(=O)c2ccncc2)CCCC[C@H]1O c1cc(ccn1)[*:1] C[C@]1(CCCC[C@H]1O)CNC(=O)[*:1]
O=C(CNc1nc(Cl)nc2[nH]cnc12)NCCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C(CNc1nc(Cl)nc2[nH]cnc12)NC[*:1]
O=C(CNc1nc(Cl)nc2[nH]cnc12)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CNc1nc(Cl)nc2[nH]cnc12)NCC[*:1]
O=C(CNc1nc(Cl)nc2[nH]cnc12)NCCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(CNc1nc(Cl)nc2[nH]cnc12)NCCC[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1cccn1
Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)c1 c1cnn(c1)[*:1] Cc1cccc(c1)NC(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(C)c(C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(/C=N/NS(=O)(=O)[*:1])c(C)c1C
COc1ccc(S(=O)(=O)N(C(C)=O)c2ccc(OC(C)=O)cc2C)cc1 CC(=O)O[*:1] COc1ccc(cc1)S(=O)(=O)N(C(C)=O)c1ccc(cc1C)[*:1]
COc1ccc(S(=O)(=O)N(C(C)=O)c2ccc(OC(C)=O)cc2C)cc1 COc1ccc(cc1)[*:1] CC(=O)Oc1ccc(c(C)c1)N(C(C)=O)S(=O)(=O)[*:1]
COc1c(F)cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)cc1F CC(C)C[*:1] COc1c(F)cc(cc1F)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[*:1]
COc1c(F)cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)cc1F CC(C)[*:1] COc1c(F)cc(cc1F)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CC[*:1]
COc1c(F)cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)cc1F CC(C)CC[*:1] COc1c(F)cc(cc1F)NC(=O)C(=O)N[C@@H]1CCC[C@H]1[*:1]
C[C@H](SCc1ccccc1)C(=O)Nc1ccc(-n2cncn2)nc1 c1ncn(n1)[*:1] C[C@H](SCc1ccccc1)C(=O)Nc1ccc(nc1)[*:1]
C[C@H](SCc1ccccc1)C(=O)Nc1ccc(-n2cncn2)nc1 c1ccc(cc1)[*:1] C[C@H](SC[*:1])C(=O)Nc1ccc(nc1)-n1cncn1
C[C@H](SCc1ccccc1)C(=O)Nc1ccc(-n2cncn2)nc1 c1ccc(cc1)C[*:1] C[C@H](S[*:1])C(=O)Nc1ccc(nc1)-n1cncn1
C[C@H](SCc1ccccc1)C(=O)Nc1ccc(-n2cncn2)nc1 c1ccc(cc1)CS[*:1] C[C@H](C(=O)Nc1ccc(nc1)-n1cncn1)[*:1]
O=C(CCC1CC1)NCC1(c2ccncc2)CC1 C1CC1CC[*:1] O=C(NCC1(CC1)c1ccncc1)[*:1]
O=C(CCC1CC1)NCC1(c2ccncc2)CC1 C1CC1[*:1] O=C(CC[*:1])NCC1(CC1)c1ccncc1
O=C(CCC1CC1)NCC1(c2ccncc2)CC1 C1CC1C[*:1] O=C(C[*:1])NCC1(CC1)c1ccncc1
O=C(CCC1CC1)NCC1(c2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(CCC1CC1)NCC1(CC1)[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1Cl)[N+](=O)[O-])c1ccccc1[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1Cl)[*:1])c1ccccc1[N+](=O)[O-]
COc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C)Cc1ccccc1F Fc1ccccc1[*:1] COc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C)C[*:1]
COc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C)Cc1ccccc1F Fc1ccccc1C[*:1] COc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C)[*:1]
CC[C@@H](NC(=O)c1cnn(-c2ccncc2)c1C)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H](NC(=O)c1cnn(-c2ccncc2)c1C)[*:1]
CC[C@@H](NC(=O)c1cnn(-c2ccncc2)c1C)c1noc(C)n1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)c1cnn(c1C)[*:1])c1noc(C)n1
CC[C@H](CO)NC(=O)Nc1ccc(Cl)c(Br)c1 CC[C@H](CO)[*:1] O=C(Nc1ccc(Cl)c(Br)c1)N[*:1]
COC[C@@H](C)[NH+]1CCN(CC2=Cc3ccccc3OC2)CC1 COC[*:1] C[C@@H]([NH+]1CCN(CC1)CC1=Cc2ccccc2OC1)[*:1]
COCC(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 c1ccc(cc1)[*:1] COCC(=O)N1CCN(CC1)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
COCC(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 COC[*:1] O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCN(CC1)C(=O)[*:1]
COC(=O)C1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1 c1ccc(cc1)C[*:1] COC(=O)C1CCN(CC1)C(=O)c1c(C)nn(c1Cl)[*:1]
COC(=O)C1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1 c1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)c1c(C)nn(C[*:1])c1Cl
COC(=O)C1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1 COC(=O)[*:1] Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCC(CC1)[*:1]
CNC(=O)[C@H](C)n1c(C)c(C)s/c1=N\C(=O)c1ccc(Cl)c(Cl)c1 CNC(=O)[*:1] Cc1s/c(=N\C(=O)c2ccc(Cl)c(Cl)c2)n(c1C)[C@@H](C)[*:1]
CNC(=O)[C@H](C)n1c(C)c(C)s/c1=N\C(=O)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CNC(=O)[C@H](C)n1c(C)c(C)s/c1=N\C(=O)[*:1]
COc1ccc(-c2nc(N)n(C(=O)C3CCCCC3)n2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)-c1nc(N)n(n1)C(=O)[*:1]
CCc1ccc(C(=O)Nc2[nH]ncc2/C(N)=N/O)cc1 N/C(=N\O)[*:1] CCc1ccc(cc1)C(=O)Nc1[nH]ncc1[*:1]
CCOc1ccc2nc([C@@H]3COCCN3)sc2c1 CCO[*:1] c1cc2nc(sc2cc1[*:1])[C@@H]1COCCN1
CCN(CC(C)(C)O)C(=O)c1csc(-c2ccoc2)n1 CC(C)(O)C[*:1] CCN(C(=O)c1csc(n1)-c1ccoc1)[*:1]
CCN(CC(C)(C)O)C(=O)c1csc(-c2ccoc2)n1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)c1csc(n1)-c1ccoc1
CCN(CC(C)(C)O)C(=O)c1csc(-c2ccoc2)n1 c1cc(co1)[*:1] CCN(CC(C)(C)O)C(=O)c1csc(n1)[*:1]
O=C(Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1)c1ccc(F)cc1 c1ccc(nc1)[*:1] O=C(Oc1ccc(cc1)-c1nccc(n1)[*:1])c1ccc(F)cc1
O=C(Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Oc1ccc(cc1)-c1nccc(n1)-c1ccccn1)[*:1]
CN(CCOc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cn1 O=S(=O)(N1CCCC1)[*:1] CN(CCOc1ccccc1)c1ccc(cn1)[*:1]
CN(CCOc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cn1 c1ccc(cc1)O[*:1] CN(CC[*:1])c1ccc(cn1)S(=O)(=O)N1CCCC1
CN(CCOc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cn1 c1ccc(cc1)[*:1] CN(CCO[*:1])c1ccc(cn1)S(=O)(=O)N1CCCC1
CN(CCOc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cn1 c1ccc(cc1)OC[*:1] CN(C[*:1])c1ccc(cn1)S(=O)(=O)N1CCCC1
CC(C)(C)Oc1cc(CNC(=O)c2ccc(-n3cnnc3)cc2)ccn1 c1nncn1[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)c1ccc(cc1)[*:1]
CC(C)(C)Oc1cc(CNC(=O)c2ccc(-n3cnnc3)cc2)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])c1ccc(cc1)-n1cnnc1
CC(C)(C)Oc1cc(CNC(=O)c2ccc(-n3cnnc3)cc2)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])c1ccc(cc1)-n1cnnc1
Cn1ccnc1C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 Cn1ccnc1[*:1] O=C(N[C@H](c1ccc(Cl)cc1)c1ncon1)[*:1]
Cn1ccnc1C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] Cn1ccnc1C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
Cn1ccnc1C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] Cn1ccnc1C(=O)N[C@H](c1ncon1)[*:1]
[NH3+][C@@H](Cc1cc(F)cc(Br)c1)C1CC1 C1CC1[*:1] [NH3+][C@@H](Cc1cc(F)cc(Br)c1)[*:1]
CC(C)CCN(C(=O)N[C@H](C)c1cccc(-n2cccn2)c1)C1CC1 CC(C)[*:1] C[C@@H](NC(=O)N(CC[*:1])C1CC1)c1cccc(c1)-n1cccn1
CC(C)CCN(C(=O)N[C@H](C)c1cccc(-n2cccn2)c1)C1CC1 c1cnn(c1)[*:1] CC(C)CCN(C(=O)N[C@H](C)c1cccc(c1)[*:1])C1CC1
CC(C)CCN(C(=O)N[C@H](C)c1cccc(-n2cccn2)c1)C1CC1 C1CC1[*:1] CC(C)CCN(C(=O)N[C@H](C)c1cccc(c1)-n1cccn1)[*:1]
CC(C)CCN(C(=O)N[C@H](C)c1cccc(-n2cccn2)c1)C1CC1 CC(C)C[*:1] C[C@@H](NC(=O)N(C[*:1])C1CC1)c1cccc(c1)-n1cccn1
CC(C)CCN(C(=O)N[C@H](C)c1cccc(-n2cccn2)c1)C1CC1 CC(C)CC[*:1] C[C@@H](NC(=O)N(C1CC1)[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(N)=O)c1ccc(N)cc1 NC(=O)N[*:1] C[C@H](c1ccc(N)cc1)[*:1]
NC(=S)C1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCC1 NC(=S)[*:1] O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C1(CCCC1)[*:1]
CCOc1cccc([C@H]2CCCC[C@H]([NH2+]C)C2)c1 CCO[*:1] C[NH2+][C@H]1CCCC[C@@H](C1)c1cccc(c1)[*:1]
C[C@H](CC(=O)Nc1cc(Cl)c(Cl)cn1)n1cccc1 c1ccn(c1)[*:1] C[C@H](CC(=O)Nc1cc(Cl)c(Cl)cn1)[*:1]
Cc1ccccc1NC(=O)[C@@H](c1ccccc1)n1cccc1 Cc1ccccc1[*:1] O=C(N[*:1])[C@@H](c1ccccc1)n1cccc1
Cc1ccccc1NC(=O)[C@@H](c1ccccc1)n1cccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)[C@@H](n1cccc1)[*:1]
Cc1ccccc1NC(=O)[C@@H](c1ccccc1)n1cccc1 c1ccn(c1)[*:1] Cc1ccccc1NC(=O)[C@@H](c1ccccc1)[*:1]
O=S(=O)(c1ccc(C[NH2+]Cc2csc(-c3ccccc3)n2)cc1)N1CCOCC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc(cc1)C[NH2+]Cc1csc(n1)[*:1])N1CCOCC1
O=S(=O)(c1ccc(C[NH2+]Cc2csc(-c3ccccc3)n2)cc1)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] c1ccc(cc1)-c1nc(cs1)C[NH2+]Cc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 O=[N+]([O-])[*:1] C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(CC1)Cc1ccccc1[*:1]
COc1ccc(C[C@H](C)CNC(=O)c2c(C)c3ccccc3oc2=O)cc1 COc1ccc(cc1)[*:1] Cc1c(C(=O)NC[C@@H](C)C[*:1])c(=O)oc2ccccc12
COc1ccc(C[C@H](C)CNC(=O)c2c(C)c3ccccc3oc2=O)cc1 COc1ccc(cc1)C[*:1] Cc1c(C(=O)NC[C@@H](C)[*:1])c(=O)oc2ccccc12
COc1ccc(NC(=O)C(=O)NCCSc2ccc(C)cc2)cc1 Cc1ccc(cc1)S[*:1] COc1ccc(cc1)NC(=O)C(=O)NCC[*:1]
COc1ccc(NC(=O)C(=O)NCCSc2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)SCCNC(=O)C(=O)N[*:1]
COc1ccc(NC(=O)C(=O)NCCSc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)C(=O)NCCS[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=S(=O)(NCCc1csc2nc(nn12)-c1cccc(F)c1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 CC(=O)N[*:1] O=S(=O)(NCCc1csc2nc(nn12)-c1cccc(F)c1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 Fc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1csc2nc(nn12)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])CNC(=O)C(C)(C)C)cc1Cl CC(C)(C)C(=O)N[*:1] Cc1ccc(cc1Cl)S(=O)(=O)/N=C(\[O-])C[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])CNC(=O)C(C)(C)C)cc1Cl CC(C)(C)[*:1] Cc1ccc(cc1Cl)S(=O)(=O)/N=C(\[O-])CNC(=O)[*:1]
C=CCNC(=O)CN1CCOC[C@H]1C#N C=CC[*:1] N#C[C@@H]1COCCN1CC(=O)N[*:1]
CCC[NH2+][C@H](C)c1nnc(C[C@@H]2CCCCO2)o1 CCC[*:1] C[C@@H]([NH2+][*:1])c1nnc(C[C@@H]2CCCCO2)o1
CCC[NH2+][C@H](C)c1nnc(C[C@@H]2CCCCO2)o1 C1CC[C@H](OC1)[*:1] CCC[NH2+][C@H](C)c1nnc(C[*:1])o1
CC[NH+]1CCN(C2CCN(C(=O)CCc3nc(-c4cccnc4)no3)CC2)CC1 c1cncc(c1)[*:1] CC[NH+]1CCN(CC1)C1CCN(CC1)C(=O)CCc1nc(no1)[*:1]
CC(C)c1ncc(Cl)c(C(=O)N(C)Cc2nccs2)n1 c1csc(C[*:1])n1 CC(C)c1ncc(Cl)c(n1)C(=O)N(C)[*:1]
CC(C)c1ncc(Cl)c(C(=O)N(C)Cc2nccs2)n1 c1csc(n1)[*:1] CC(C)c1ncc(Cl)c(n1)C(=O)N(C)C[*:1]
CC(C)c1ncc(Cl)c(C(=O)N(C)Cc2nccs2)n1 CC(C)[*:1] CN(Cc1nccs1)C(=O)c1nc(ncc1Cl)[*:1]
CCOCCN(C)C(=O)c1oc2c(OC)cccc2c1C CCOCC[*:1] COc1cccc2c(C)c(oc12)C(=O)N(C)[*:1]
CCOCCN(C)C(=O)c1oc2c(OC)cccc2c1C CCOC[*:1] COc1cccc2c(C)c(oc12)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)c1oc2c(OC)cccc2c1C CCO[*:1] COc1cccc2c(C)c(oc12)C(=O)N(C)CC[*:1]
Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)N=C([O-])N(CCc3ccccc3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1N(CCc2ccccc2)C([O-])=N[C@@]1(NS(=O)(=O)[*:1])C(F)(F)F
Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)N=C([O-])N(CCc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@]1(N=C([O-])N(CC[*:1])C1=O)C(F)(F)F
Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)N=C([O-])N(CCc3ccccc3)C2=O)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@]1(N=C([O-])N(CCc2ccccc2)C1=O)[*:1]
Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)N=C([O-])N(CCc3ccccc3)C2=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@]1(N=C([O-])N(C[*:1])C1=O)C(F)(F)F
Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)N=C([O-])N(CCc3ccccc3)C2=O)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@]1(N=C([O-])N(C1=O)[*:1])C(F)(F)F
CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CCOc1cccc(c1)[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1[*:1]
CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cc2)c1 CCOc1cccc(c1)[*:1] Cc1ccc(cc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1[*:1]
CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cc2)c1 CCO[*:1] Cc1ccc(cc1)N1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(c1)[*:1]
O=C(NCc1ccc(O)c(F)c1)NC[C@H]1CN2CCCC[C@@H]2CO1 Oc1ccc(cc1F)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)NC[*:1]
Clc1ccc(Cn2c(CCCN3CCOCC3)nc3ccccc32)cc1 C1CN(CCO1)C[*:1] Clc1ccc(cc1)Cn1c(CC[*:1])nc2ccccc21
Clc1ccc(Cn2c(CCCN3CCOCC3)nc3ccccc32)cc1 C1CN(CCO1)CC[*:1] Clc1ccc(cc1)Cn1c(C[*:1])nc2ccccc21
Clc1ccc(Cn2c(CCCN3CCOCC3)nc3ccccc32)cc1 Clc1ccc(cc1)[*:1] c1ccc2c(c1)nc(CCCN1CCOCC1)n2C[*:1]
Clc1ccc(Cn2c(CCCN3CCOCC3)nc3ccccc32)cc1 Clc1ccc(cc1)C[*:1] c1ccc2c(c1)nc(CCCN1CCOCC1)n2[*:1]
Clc1ccc(Cn2c(CCCN3CCOCC3)nc3ccccc32)cc1 C1CN(CCO1)[*:1] Clc1ccc(cc1)Cn1c(CCC[*:1])nc2ccccc21
C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)C1CCN(CC1)C(=O)C(C)(C)C)[*:1]
C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 CC(C)(C)[*:1] C[NH+](C)[C@@H](CNC(=O)C1CCN(CC1)C(=O)[*:1])c1ccccc1
C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O FC(F)(F)[*:1] C[C@]1(Cc2ccc3OCOc3c2)NC(=O)N(Cc2ccc(cc2)[*:1])C1=O
C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O c1cc2OCOc2cc1[*:1] C[C@]1(C[*:1])NC(=O)N(Cc2ccc(cc2)C(F)(F)F)C1=O
CCOc1ccc(-n2c(SCC(=O)N3CCNC3=O)nc3ccccc32)cc1 CCO[*:1] O=C(CSc1nc2ccccc2n1-c1ccc(cc1)[*:1])N1CCNC1=O
CCOc1ccc(-n2c(SCC(=O)N3CCNC3=O)nc3ccccc32)cc1 O=C(C[*:1])N1CCNC1=O CCOc1ccc(cc1)-n1c(nc2ccccc21)S[*:1]
CCOc1ccc(-n2c(SCC(=O)N3CCNC3=O)nc3ccccc32)cc1 O=C1NCCN1C(=O)[*:1] CCOc1ccc(cc1)-n1c(nc2ccccc21)SC[*:1]
CCOc1ccc(-n2c(SCC(=O)N3CCNC3=O)nc3ccccc32)cc1 CCOc1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2n1[*:1])N1CCNC1=O
O=C(Nc1cccc(Br)c1)[C@H]1CCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1cccc(Br)c1)[C@H]1CCCC[C@@H]1[*:1]
CN(Cc1cccs1)C(=O)CCCNC(=O)c1ccc(Cl)cc1 c1csc(c1)[*:1] CN(C[*:1])C(=O)CCCNC(=O)c1ccc(Cl)cc1
CN(Cc1cccs1)C(=O)CCCNC(=O)c1ccc(Cl)cc1 c1csc(c1)C[*:1] CN(C(=O)CCCNC(=O)c1ccc(Cl)cc1)[*:1]
CN(Cc1cccs1)C(=O)CCCNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(Cc1cccs1)C(=O)CCCNC(=O)[*:1]
Cc1cccc(N2CCN(c3ncccn3)CC2)c1 c1cnc(nc1)[*:1] Cc1cccc(c1)N1CCN(CC1)[*:1]
O=c1[nH]c2ccccc2nc1/C(=N\Nc1ccc(I)cc1)[C@@H](O)[C@H](O)CO Ic1ccc(cc1)[*:1] O=c1[nH]c2ccccc2nc1/C(=N\N[*:1])[C@@H](O)[C@H](O)CO
O=C(CN1N[C@H](C(=O)[O-])c2ccccc2C1=O)C1=c2ccccc2=[NH+][C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CN1N[C@H](C(=O)[O-])c2ccccc2C1=O)C1=c2ccccc2=[NH+][C@@H]1[*:1]
O=C(CN1N[C@H](C(=O)[O-])c2ccccc2C1=O)C1=c2ccccc2=[NH+][C@H]1c1ccccc1 O=C([O-])[*:1] O=C(CN1N[C@H](c2ccccc2C1=O)[*:1])C1=c2ccccc2=[NH+][C@H]1c1ccccc1
C[C@H](CCNC1=[NH+]CCN1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](CCNC1NCC[NH+]=1)c1cccc(c1)[*:1]
Cn1cnc2cc(OC(=O)CCl)ccc21 O=C(CCl)O[*:1] Cn1cnc2cc(ccc21)[*:1]
CC[NH2+]Cc1noc(CC(C)C)n1 CC(C)C[*:1] CC[NH2+]Cc1noc(n1)[*:1]
CC[NH2+]Cc1noc(CC(C)C)n1 CC(C)[*:1] CC[NH2+]Cc1noc(C[*:1])n1
O=S(=O)(NCCC1CCC1)c1c[nH]c2nccc(Cl)c12 C1CC(C1)[*:1] O=S(=O)(NCC[*:1])c1c[nH]c2nccc(Cl)c12
O=S(=O)(NCCC1CCC1)c1c[nH]c2nccc(Cl)c12 C1CC(C1)CC[*:1] O=S(=O)(N[*:1])c1c[nH]c2nccc(Cl)c12
O=S(=O)(NCCC1CCC1)c1c[nH]c2nccc(Cl)c12 C1CC(C1)C[*:1] O=S(=O)(NC[*:1])c1c[nH]c2nccc(Cl)c12
O=C(N[C@@H](CO)c1ccccc1F)c1cccc2cc[nH]c12 Fc1ccccc1[*:1] O=C(N[C@@H](CO)[*:1])c1cccc2cc[nH]c12
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(/C=C\C(=O)c3ccccc3)cc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cc(cc(c1)C(=O)Nc1ccc(/C=C\C(=O)[*:1])cc1)NC(C)=O
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(/C=C\C(=O)c3ccccc3)cc2)c1 O=C(C=C[*:1])c1ccccc1 CC(=O)Nc1cc(cc(c1)C(=O)Nc1ccc(cc1)[*:1])NC(C)=O
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(/C=C\C(=O)c3ccccc3)cc2)c1 O=C(c1ccccc1)[*:1] CC(=O)Nc1cc(cc(c1)C(=O)Nc1ccc(C=C[*:1])cc1)NC(C)=O
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(/C=C\C(=O)c3ccccc3)cc2)c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)Nc1ccc(/C=C\C(=O)c2ccccc2)cc1
C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)C[C@@H]1O Clc1ccccc1C[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1ncc(s1)[*:1]
C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)C[C@@H]1O Clc1ccccc1[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1ncc(C[*:1])s1
Cc1nn(C)c(C)c1CNC(=O)NCC(=O)NCC(=O)[O-] O=C([O-])CNC(=O)[*:1] Cc1nn(C)c(C)c1CNC(=O)NC[*:1]
Cc1nn(C)c(C)c1CNC(=O)NCC(=O)NCC(=O)[O-] O=C([O-])C[*:1] Cc1nn(C)c(C)c1CNC(=O)NCC(=O)N[*:1]
Cc1nn(C)c(C)c1CNC(=O)NCC(=O)NCC(=O)[O-] O=C([O-])[*:1] Cc1nn(C)c(C)c1CNC(=O)NCC(=O)NC[*:1]
Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)s2)cc1 CC(C)C[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)s2)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)C(=O)N1CCC[C@H](C1)C(=O)NCC[*:1]
Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)s2)cc1 CC(C)CC[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)s2)cc1 Cc1ccc(cc1)NC(=O)[*:1] CC(C)CCNC(=O)[C@@H]1CCCN(C1)C(=O)c1nnc(s1)[*:1]
Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)s2)cc1 Cc1ccc(cc1)[*:1] CC(C)CCNC(=O)[C@@H]1CCCN(C1)C(=O)c1nnc(s1)C(=O)N[*:1]
Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NCCC(C)C)C3)s2)cc1 CC(C)CCNC(=O)[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(NCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n[nH+]1 O=[N+]([O-])[*:1] Cc1ccc(n[nH+]1)NCCNC(=O)/C=C/c1ccc(cc1)[*:1]
COc1ccccc1NC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 CC(C)[*:1] COc1ccccc1NC(=O)N1CCC(CC1)C(=O)N(C)[*:1]
COc1ccccc1NC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 CC(C)N(C)C(=O)[*:1] COc1ccccc1NC(=O)N1CCC(CC1)[*:1]
COc1ccccc1NC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 COc1ccccc1[*:1] CC(C)N(C)C(=O)C1CCN(CC1)C(=O)N[*:1]
CCCNC(=O)CSc1nnc(-c2ccc(C)cc2)o1 CCC[*:1] Cc1ccc(cc1)-c1nnc(o1)SCC(=O)N[*:1]
CCCNC(=O)CSc1nnc(-c2ccc(C)cc2)o1 CCCNC(=O)[*:1] Cc1ccc(cc1)-c1nnc(o1)SC[*:1]
Cc1ccc(NC(=O)CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc1 Cc1ccc(nc1)[*:1] Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)NCCC(=O)N[*:1]
Cc1ccn2c(=O)c(C(=O)N(C)CCCOc3ccccc3C)cnc2c1 Cc1ccccc1OC[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)N(C)CC[*:1]
Cc1ccn2c(=O)c(C(=O)N(C)CCCOc3ccccc3C)cnc2c1 Cc1ccccc1O[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)N(C)CCC[*:1]
Cc1ccn2c(=O)c(C(=O)N(C)CCCOc3ccccc3C)cnc2c1 Cc1ccccc1[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)N(C)CCCO[*:1]
Cc1ccc(C(=O)NCC[NH2+]Cc2cn(-c3ccccc3)nc2C)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)C(=O)NCC[NH2+]Cc1cn(nc1C)[*:1]
Cc1ccc(C(=O)NCC[NH2+]Cc2cn(-c3ccccc3)nc2C)cc1F Cc1ccc(cc1F)[*:1] Cc1nn(cc1C[NH2+]CCNC(=O)[*:1])-c1ccccc1
C/C=C(/C)C(=O)NC[C@H]1CCO[C@H]1C(C)(C)C CC(C)(C)[*:1] C/C=C(/C)C(=O)NC[C@H]1CCO[C@@H]1[*:1]
C/C=C(/C)C(=O)NC[C@H]1CCO[C@H]1C(C)(C)C CC=C(C)[*:1] CC(C)(C)[C@@H]1OCC[C@@H]1CNC(=O)[*:1]
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc(Cl)c1Cl O=C([O-])[*:1] O=S(=O)([N-]c1ccc(F)c(F)c1)c1cc(Cl)c(Cl)c(c1)[*:1]
Cn1nc(C(=O)Nc2ccccc2C(C)(C)C)ccc1=O CC(C)(C)[*:1] Cn1nc(ccc1=O)C(=O)Nc1ccccc1[*:1]
Cc1ccc(-c2nnc([C@@H](C)Sc3ccccn3)o2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)-c1nnc(o1)[C@@H](C)S[*:1]
Cc1ccc(-c2nnc([C@@H](C)Sc3ccccn3)o2)cc1 c1ccc(nc1)S[*:1] Cc1ccc(cc1)-c1nnc(o1)[C@@H](C)[*:1]
Cc1ccc(-c2nnc([C@@H](C)Sc3ccccn3)o2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1ccccn1)c1nnc(o1)[*:1]
CCN(Cc1ccoc1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 c1cc(co1)C[*:1] CCN(C(=O)N[C@H](C)c1cccc(c1)[N+](=O)[O-])[*:1]
CCN(Cc1ccoc1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 c1cc(co1)[*:1] CCN(C[*:1])C(=O)N[C@H](C)c1cccc(c1)[N+](=O)[O-]
CCN(Cc1ccoc1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCN(Cc1ccoc1)C(=O)N[C@H](C)c1cccc(c1)[*:1]
Cc1ccc(/C=C/C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1 c1coc(c1)[*:1] Cc1ccc(/C=C/C(=O)Nc2cccc(c2)-c2nnc(o2)[*:1])cc1
Cc1ccc(/C=C/C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1cccc(c1)-c1nnc(o1)-c1ccco1
Cc1ccc(/C=C/C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1 Cc1ccc(C=C[*:1])cc1 O=C(Nc1cccc(c1)-c1nnc(o1)-c1ccco1)[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC(F)(F)F FC(F)(F)C[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[*:1]
C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC(F)(F)F FC(F)(F)[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1cnc2ccc(C)cn12 CC(C)C[*:1] COC(=O)[C@H](NC(=O)c1cnc2ccc(C)cn12)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1cnc2ccc(C)cn12 COC(=O)[*:1] Cc1ccc2ncc(C(=O)N[C@@H](CC(C)C)[*:1])n2c1
COC(=O)[C@H](CC(C)C)NC(=O)c1cnc2ccc(C)cn12 CC(C)[*:1] COC(=O)[C@H](C[*:1])NC(=O)c1cnc2ccc(C)cn12
O=C(c1cc2ccccc2oc1=O)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cc2ccccc2oc1=O)N1CC[C@H](C1)[*:1]
Cn1cnnc1-c1cncc(NCc2cc(F)cc(C(F)(F)F)c2)c1 Cn1cnnc1[*:1] Fc1cc(cc(c1)C(F)(F)F)CNc1cncc(c1)[*:1]
Cn1cnnc1-c1cncc(NCc2cc(F)cc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] Cn1cnnc1-c1cncc(c1)NCc1cc(F)cc(c1)[*:1]
COC(=O)c1ccc(CN2CCC[C@@H](c3nncn3C(C)C)C2)c(F)c1 CC(C)[*:1] COC(=O)c1ccc(CN2CCC[C@H](C2)c2nncn2[*:1])c(F)c1
COC(=O)c1ccc(CN2CCC[C@@H](c3nncn3C(C)C)C2)c(F)c1 COC(=O)[*:1] CC(C)n1cnnc1[C@@H]1CCCN(Cc2ccc(cc2F)[*:1])C1
COC(=O)c1ccc(CN2CCC[C@@H](c3nncn3C(C)C)C2)c(F)c1 CC(C)n1cnnc1[*:1] COC(=O)c1ccc(CN2CCC[C@@H](C2)[*:1])c(F)c1
O=C(CSc1nnc(NC2CCCCC2)s1)NC(=O)Nc1ccc2c(c1)OCO2 C1CCC(CC1)N[*:1] O=C(CSc1nnc(s1)[*:1])NC(=O)Nc1ccc2OCOc2c1
O=C(CSc1nnc(NC2CCCCC2)s1)NC(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CSc1nnc(NC2CCCCC2)s1)NC(=O)N[*:1]
O=C(CSc1nnc(NC2CCCCC2)s1)NC(=O)Nc1ccc2c(c1)OCO2 C1CCC(CC1)[*:1] O=C(CSc1nnc(N[*:1])s1)NC(=O)Nc1ccc2OCOc2c1
Cc1nc(C)n(-c2ccc(C(=O)N3C[C@H]4[C@@H](C3)C4(C)C)cc2)n1 Cc1nc(C)n(n1)[*:1] CC1(C)[C@H]2CN(C[C@H]21)C(=O)c1ccc(cc1)[*:1]
COc1ccccc1N1CC[C@@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 COc1ccccc1[*:1] C[C@H]([NH2+]C[C@@H]1CCN(C1)[*:1])c1nc2CCCCc2s1
COc1ccc(CN(C(=O)c2ccno2)[C@@H]2CCCC[C@H]2C)cc1OC c1cc(on1)[*:1] COc1ccc(cc1OC)CN(C(=O)[*:1])[C@@H]1CCCC[C@H]1C
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN[C@H](C(N)=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN[C@H](C(N)=O)[*:1]
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN[C@H](C(N)=O)c1ccc(F)cc1 NC(=O)[*:1] Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN[C@H](c1ccc(F)cc1)[*:1]
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN[C@H](C(N)=O)c1ccc(F)cc1 Cc1cc(Cl)cc(C)c1[*:1] C[C@@H](O[*:1])C(=O)NN[C@H](C(N)=O)c1ccc(F)cc1
C[C@@H](c1ccccc1)N1C[C@H](c2nc3ccccc3n2CCC(=O)N2CCCCCC2)CC1=O C[C@@H](c1ccccc1)[*:1] O=C(CCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1])N1CCCCCC1
C[C@@H](c1ccccc1)N1C[C@H](c2nc3ccccc3n2CCC(=O)N2CCCCCC2)CC1=O c1ccc(cc1)[*:1] C[C@@H](N1C[C@@H](CC1=O)c1nc2ccccc2n1CCC(=O)N1CCCCCC1)[*:1]
C[C@@H](c1ccccc1)N1C[C@H](c2nc3ccccc3n2CCC(=O)N2CCCCCC2)CC1=O O=C(N1CCCCCC1)[*:1] C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1CC[*:1]
C[C@@H](c1ccccc1)N1C[C@H](c2nc3ccccc3n2CCC(=O)N2CCCCCC2)CC1=O O=C(CC[*:1])N1CCCCCC1 C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
C[C@@H](c1ccccc1)N1C[C@H](c2nc3ccccc3n2CCC(=O)N2CCCCCC2)CC1=O O=C(C[*:1])N1CCCCCC1 C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
C=CCn1c(C)nnc1SCC(=O)N[C@H](C)c1ccccc1Cl C=CC[*:1] Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2Cl)n1[*:1]
C=CCn1c(C)nnc1SCC(=O)N[C@H](C)c1ccccc1Cl Clc1ccccc1[*:1] C=CCn1c(C)nnc1SCC(=O)N[C@H](C)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 Cc1ccc(nn1)[*:1] CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 Cc1ccc(nn1)O[*:1] CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccc(C)nn2)cc1 CCC[*:1] Cc1ccc(nn1)Oc1ccc(cc1)NC(=O)C(=O)N[C@@H]1C[C@H]1[*:1]
C(=C/c1ccccc1)\C[NH+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 C(=C[*:1])c1ccccc1 c1cc2OCOc2cc1-c1n[nH]c2CC[NH+](Cc12)C[*:1]
C(=C/c1ccccc1)\C[NH+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 c1ccc(cc1)[*:1] C(=C[*:1])C[NH+]1CCc2[nH]nc(-c3ccc4OCOc4c3)c2C1
C(=C/c1ccccc1)\C[NH+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 C(=C/c1ccccc1)\C[*:1] c1cc2OCOc2cc1-c1n[nH]c2CC[NH+](Cc12)[*:1]
C(=C/c1ccccc1)\C[NH+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 c1cc2OCOc2cc1[*:1] C(=C/c1ccccc1)\C[NH+]1CCc2[nH]nc(c2C1)[*:1]
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 C[C@H](O)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)[*:1]
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 Clc1ccc(cc1Cl)[*:1] C[C@H](O)[C@H](NS(=O)(=O)[*:1])C(=O)Nc1ccc(cc1)C(C)(C)C
Cc1oc(-c2ccsc2)nc1C[S@](=O)Cc1ccon1 c1cc(C[*:1])no1 Cc1oc(nc1C[S@](=O)[*:1])-c1ccsc1
Cc1oc(-c2ccsc2)nc1C[S@](=O)Cc1ccon1 c1cc(cs1)[*:1] Cc1oc(nc1C[S@](=O)Cc1ccon1)[*:1]
Cc1oc(-c2ccsc2)nc1C[S@](=O)Cc1ccon1 c1cc(no1)[*:1] Cc1oc(nc1C[S@](=O)C[*:1])-c1ccsc1
CC1(C)CC[C@H](CNC(=O)CCc2nc[nH]n2)c2ccccc21 c1nc(CC[*:1])n[nH]1 CC1(C)CC[C@H](CNC(=O)[*:1])c2ccccc21
Cn1cc(C(=O)NCc2nc3ccccc3n2C)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)NCc2nc3ccccc3n2C)c(n1)[*:1]
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1F C1CCC(C1)[*:1] Cc1ccc(cc1F)C(=O)Nc1ccc(cc1)S(=O)(=O)[*:1]
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1F O=S(=O)(C1CCCC1)[*:1] Cc1ccc(cc1F)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1F Cc1ccc(cc1F)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)C1CCCC1)[*:1]
O=C(c1cc(Cl)ccc1NCc1nnc(C2CCC2)o1)N1CCCC1 O=C(N1CCCC1)[*:1] Clc1ccc(NCc2nnc(o2)C2CCC2)c(c1)[*:1]
O=C(c1cc(Cl)ccc1NCc1nnc(C2CCC2)o1)N1CCCC1 C1CC(C1)[*:1] O=C(c1cc(Cl)ccc1NCc1nnc(o1)[*:1])N1CCCC1
CCC(CC)NC(=O)[C@@H](C)N1CC[NH2+]C[C@@H]1C#N CCC(CC)[*:1] C[C@H](C(=O)N[*:1])N1CC[NH2+]C[C@@H]1C#N
NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2C2N=CC=N2)s1 NC(=O)c1ccc(s1)[*:1] O=C(c1ccccc1C1N=CC=N1)N1CCC[C@H]1[*:1]
NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2C2N=CC=N2)s1 NC(=O)[*:1] O=C(c1ccccc1C1N=CC=N1)N1CCC[C@H]1c1ccc(s1)[*:1]
Cc1ccc(NC(=O)NC[C@@H](C)Oc2ccccc2F)s1 Fc1ccccc1[*:1] Cc1ccc(NC(=O)NC[C@@H](C)O[*:1])s1
Cc1ccc(NC(=O)NC[C@@H](C)Oc2ccccc2F)s1 Cc1ccc(s1)[*:1] C[C@H](CNC(=O)N[*:1])Oc1ccccc1F
Cc1cccc(-n2nnnc2C(C)(C)[NH2+]C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)-n1nnnc1C(C)(C)[NH2+][*:1]
C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCN(C1=O)[*:1]
C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCN(c2ccccc2F)C1=O Fc1ccc(cc1)C[*:1] C[C@@H]([NH2+][C@@H]1CCN(C1=O)c1ccccc1F)[*:1]
C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCN(c2ccccc2F)C1=O Fc1ccc(cc1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCN(C1=O)c1ccccc1F
CCNC(=O)NC(=O)[C@H](Sc1nnnn1C1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)[C@H](Sc1nnnn1C1CCCC1)[*:1]
CCNC(=O)NC(=O)[C@H](Sc1nnnn1C1CCCC1)c1ccccc1 CCNC(=O)NC(=O)[*:1] c1ccc(cc1)[C@@H](Sc1nnnn1C1CCCC1)[*:1]
CCNC(=O)NC(=O)[C@H](Sc1nnnn1C1CCCC1)c1ccccc1 C1CCC(C1)[*:1] CCNC(=O)NC(=O)[C@H](Sc1nnnn1[*:1])c1ccccc1
C[C@@H](O)CC(C)(C)CNC(=O)C(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](O)CC(C)(C)CNC(=O)C(=O)Nc1ccccc1[*:1]
CCN(Cc1ccccc1NC(=O)c1ccc(Br)cc1O)C(C)=O CCN(C[*:1])C(C)=O O=C(Nc1ccccc1[*:1])c1ccc(Br)cc1O
CCN(Cc1ccccc1NC(=O)c1ccc(Br)cc1O)C(C)=O Oc1cc(Br)ccc1[*:1] CCN(Cc1ccccc1NC(=O)[*:1])C(C)=O
CCN(Cc1ccccc1NC(=O)c1ccc(Br)cc1O)C(C)=O CCN(C(C)=O)[*:1] O=C(Nc1ccccc1C[*:1])c1ccc(Br)cc1O
C[C@@H](Cc1cnn(-c2ccccc2)n1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Cc1cnn(n1)-c1ccccc1)[*:1]
NC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1ccc(F)cc1 NC(=O)[*:1] [NH3+][C@]1(CCC[C@H]1CCSc1ccc(F)cc1)[*:1]
CCOc1ccc(OS(=O)(=O)c2cccc(F)c2)c(C=O)c1 CCO[*:1] O=Cc1cc(ccc1OS(=O)(=O)c1cccc(F)c1)[*:1]
CCOc1ccc(OS(=O)(=O)c2cccc(F)c2)c(C=O)c1 Fc1cccc(c1)[*:1] CCOc1ccc(OS(=O)(=O)[*:1])c(C=O)c1
O=C([C@@H]1CCCN1C(=O)Cn1sc2ccccc2c1=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(Cn1sc2ccccc2c1=O)N1CCC[C@H]1[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)NCCc2cc(F)ccc2F)c1 CN(C)C(=O)[*:1] O=C(NCCc1cc(F)ccc1F)Nc1cc(ccc1F)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)NCCc2cc(F)ccc2F)c1 Fc1ccc(F)c(c1)[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)NCC[*:1]
C=CCOc1cccc(C(=O)N2CCc3ccccc3C2)c1 C=CC[*:1] O=C(c1cccc(c1)O[*:1])N1CCc2ccccc2C1
C=CCOc1cccc(C(=O)N2CCc3ccccc3C2)c1 C=CCO[*:1] O=C(c1cccc(c1)[*:1])N1CCc2ccccc2C1
CCOC[C@@H]1CCCN(C(=O)NC[C@H](SC)c2cccc(Cl)c2)C1 CCO[*:1] CS[C@@H](CNC(=O)N1CCC[C@H](C1)C[*:1])c1cccc(Cl)c1
CCOC[C@@H]1CCCN(C(=O)NC[C@H](SC)c2cccc(Cl)c2)C1 CCOC[*:1] CS[C@@H](CNC(=O)N1CCC[C@H](C1)[*:1])c1cccc(Cl)c1
CCOC[C@@H]1CCCN(C(=O)NC[C@H](SC)c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)NC[C@H](SC)[*:1]
CSCC[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 CSCC[*:1] O=C1[C@H]2[C@@H](C(=O)N1CCc1ccccc1)[C@]1(N[C@@H]2[*:1])C(=O)Nc2c(Cl)cccc21
CSCC[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 c1ccc(cc1)C[*:1] CSCC[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C[*:1])C(=O)[C@H]12
CSCC[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 CSC[*:1] O=C1[C@@H]2[C@@H](C[*:1])N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1CCc1ccccc1
CSCC[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 c1ccc(cc1)[*:1] CSCC[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CC[*:1])C(=O)[C@H]12
CSCC[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 c1ccc(cc1)CC[*:1] CSCC[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
Clc1cnc(-n2cc(NCc3cncs3)cn2)c(Cl)c1 c1ncc(C[*:1])s1 Clc1cnc(c(Cl)c1)-n1cc(cn1)N[*:1]
Clc1cnc(-n2cc(NCc3cncs3)cn2)c(Cl)c1 c1ncc(s1)[*:1] Clc1cnc(c(Cl)c1)-n1cc(cn1)NC[*:1]
Cc1ccccc1-c1ncc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cn1 CS(=O)(=O)[*:1] Cc1ccccc1-c1ncc(cn1)CN1CCC[C@@H](C1)c1ncccc1[*:1]
Cc1ccccc1-c1ncc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cn1 Cc1ccccc1[*:1] CS(=O)(=O)c1cccnc1[C@H]1CCCN(Cc2cnc(nc2)[*:1])C1
Cc1ccccc1-c1ncc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cn1 CS(=O)(=O)c1cccnc1[*:1] Cc1ccccc1-c1ncc(cn1)CN1CCC[C@H](C1)[*:1]
COc1ccccc1[C@H]([NH2+][C@H]1CCc2c(OC)cccc21)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H]([NH2+][C@H]1CCc2c(cccc21)OC)[*:1]
COc1ccccc1[C@H]([NH2+][C@H]1CCc2c(OC)cccc21)c1ccccn1 COc1ccccc1[*:1] COc1cccc2c1CC[C@@H]2[NH2+][C@H](c1ccccn1)[*:1]
CC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3CC(=O)NC[C@H]2CCCO2)C1 c1ccc(cc1)[*:1] CC(=O)N1CCc2c(C1)sc1c2c(=O)n(C[*:1])c(=O)n1CC(=O)NC[C@H]1CCCO1
CC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3CC(=O)NC[C@H]2CCCO2)C1 c1ccc(cc1)C[*:1] CC(=O)N1CCc2c(C1)sc1c2c(=O)n(c(=O)n1CC(=O)NC[C@H]1CCCO1)[*:1]
O=C1Nc2ncccc2O[C@@H]1CCBr BrCC[*:1] O=C1Nc2ncccc2O[C@H]1[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2SCCc3sccc32)C1 CC(=O)N[*:1] O=C([C@H]1SCCc2sccc21)N1CCC[C@H](C1)[*:1]
CCN1C[C@@H](C(=O)NCCc2csc(C)n2)CC1=O Cc1nc(cs1)[*:1] CCN1C[C@H](CC1=O)C(=O)NCC[*:1]
Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)[O-] O=C([O-])C[*:1] Cn1c(Cn2nnc3ccccc32)nnc1S[*:1]
Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)[O-] O=C([O-])[*:1] Cn1c(Cn2nnc3ccccc32)nnc1SC[*:1]
Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)[O-] O=C([O-])CS[*:1] Cn1c(Cn2nnc3ccccc32)nnc1[*:1]
C[C@@H](C(=O)N[C@H](C)C(C)(C)C)c1cccs1 CC(C)(C)[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])c1cccs1
C[C@@H](C(=O)N[C@H](C)C(C)(C)C)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)N[C@H](C)C(C)(C)C)[*:1]
CN(C)C(=O)CCCN1C(=O)C(=O)c2cc(Cl)c(F)cc21 CN(C)C(=O)[*:1] O=C1C(=O)N(CCC[*:1])c2cc(F)c(Cl)cc21
CN(C)C(=O)CCCN1C(=O)C(=O)c2cc(Cl)c(F)cc21 CN(C)C(=O)CC[*:1] O=C1C(=O)N(C[*:1])c2cc(F)c(Cl)cc21
CN(C)C(=O)CCCN1C(=O)C(=O)c2cc(Cl)c(F)cc21 CN(C)C(=O)C[*:1] O=C1C(=O)N(CC[*:1])c2cc(F)c(Cl)cc21
CCc1ccc([C@@H](NC(=O)C2CCN(C(=O)N(C)C)CC2)C(C)(C)C)o1 CC(C)(C)[*:1] CCc1ccc(o1)[C@@H](NC(=O)C1CCN(CC1)C(=O)N(C)C)[*:1]
CCc1ccc([C@@H](NC(=O)C2CCN(C(=O)N(C)C)CC2)C(C)(C)C)o1 CCc1ccc(o1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N[C@@H](C(C)(C)C)[*:1]
CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CCN(CC)C(=O)N1CCC(CC1)C(=O)N[*:1]
CCN1CCO[C@H](C(=O)N2CCC(C(=O)OC)(c3ccccc3)CC2)C1 COC(=O)[*:1] CCN1CCO[C@@H](C1)C(=O)N1CCC(CC1)(c1ccccc1)[*:1]
CCN1CCO[C@H](C(=O)N2CCC(C(=O)OC)(c3ccccc3)CC2)C1 c1ccc(cc1)[*:1] CCN1CCO[C@@H](C1)C(=O)N1CCC(CC1)(C(=O)OC)[*:1]
C=CCNC(=O)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1 c1ccc(nc1)[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)c1cnn(c1C)[*:1]
C=CCNC(=O)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1 C=CCNC(=O)[*:1] Cc1c(cnn1-c1ccccn1)C(=O)Nc1ccc(cc1)[*:1]
C=CCNC(=O)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1 C=CC[*:1] Cc1c(cnn1-c1ccccn1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1nc2n(n1)C[C@@H](NC(=O)N1CCOC[C@H]1C1CC1)CC2 C1CC1[*:1] Cc1nc2CC[C@@H](Cn2n1)NC(=O)N1CCOC[C@@H]1[*:1]
CCC[NH2+][C@@H](C1CCCCC1)[C@@H]1CSCCS1 CCC[*:1] C1CCC(CC1)[C@H]([NH2+][*:1])[C@@H]1CSCCS1
c1ccc(C[NH2+]Cc2cccc3[nH]ccc23)cc1 c1ccc(cc1)[*:1] c1cc(C[NH2+]C[*:1])c2cc[nH]c2c1
CCN(CC(=O)NC(C)C)C(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CCN(CC(=O)NC(C)C)C(=O)N[C@H]1C=C[C@H](C1)[*:1]
CCN(CC(=O)NC(C)C)C(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 CC(C)NC(=O)C[*:1] CCN(C(=O)N[C@H]1C=C[C@@H](C1)C(=O)[O-])[*:1]
CCN(CC(=O)NC(C)C)C(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 CC(C)NC(=O)[*:1] CCN(C[*:1])C(=O)N[C@H]1C=C[C@@H](C1)C(=O)[O-]
CCN(CC(=O)NC(C)C)C(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1 CC(C)[*:1] CCN(CC(=O)N[*:1])C(=O)N[C@H]1C=C[C@@H](C1)C(=O)[O-]
O=C(c1cnccn1)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 c1cnc(cn1)[*:1] O=C(N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1)[*:1]
Cc1csc([C@@H](NC(=O)C[C@H]2OCCc3ccccc32)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)C[C@H]1OCCc2ccccc21)[*:1]
Cc1csc([C@@H](NC(=O)C[C@H]2OCCc3ccccc32)C2CC2)n1 Cc1csc(n1)[*:1] O=C(C[C@H]1OCCc2ccccc21)N[C@@H](C1CC1)[*:1]
CC(C)c1csc(NC(=O)CC2CCC2)n1 CC(C)[*:1] O=C(CC1CCC1)Nc1nc(cs1)[*:1]
CC(C)c1csc(NC(=O)CC2CCC2)n1 C1CC(C1)[*:1] CC(C)c1csc(n1)NC(=O)C[*:1]
CC(C)c1csc(NC(=O)CC2CCC2)n1 C1CC(C1)C[*:1] CC(C)c1csc(n1)NC(=O)[*:1]
C[C@@H](C(=O)NC1CCN(C(N)=O)CC1)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC1CCN(CC1)C(N)=O)n1nnc(n1)[*:1]
Cc1ccccc1-c1noc(CN2CCN(c3ncccc3C#N)CC2)n1 Cc1ccccc1[*:1] N#Cc1cccnc1N1CCN(CC1)Cc1nc(no1)[*:1]
Cc1ccccc1-c1noc(CN2CCN(c3ncccc3C#N)CC2)n1 N#Cc1cccnc1[*:1] Cc1ccccc1-c1noc(CN2CCN(CC2)[*:1])n1
CC(C)(C)n1nnnc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 CC(C)(C)n1nnnc1[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1CN(C[C@H]1CCCO1)C[*:1]
CC(C)(C)n1nnnc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 CC(C)(C)[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1CN(Cc1nnnn1[*:1])C[C@H]1CCCO1
CC(C)(C)n1nnnc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 CC(C)(C)n1nnnc1C[*:1] O=c1[nH]c2cc3OCCOc3cc2cc1CN(C[C@H]1CCCO1)[*:1]
O=C(CCC(=O)c1cc(Cl)sc1Cl)Nc1nccs1 c1csc(n1)[*:1] O=C(CCC(=O)c1cc(Cl)sc1Cl)N[*:1]
CCOC(=O)C1=NN(c2cc(F)ccc2C)[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CCOC(=O)C1C[C@H](N(N=1)c1cc(F)ccc1C)[*:1]
O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 c1ccc(cc1)[*:1] O=C(CSc1ncnc2c1cnn2[*:1])Nc1ccc(cc1)OC(F)(F)F
O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(cc1)O[*:1]
O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(cc1)[*:1]
O=C(NCCN1CCOCC1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 C1CN(CCO1)[*:1] O=C(NCC[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
O=C(NCCN1CCOCC1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 C1CN(CCO1)C[*:1] O=C(NC[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
O=C(NCCN1CCOCC1)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 C1CN(CCO1)CC[*:1] O=C(N[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCc2cc(Cl)ccc21 C[C@H](O)C[*:1] CC(C)(C[NH2+][C@H]1CCc2cc(Cl)ccc21)[*:1]
C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCc2cc(Cl)ccc21 C[C@H](O)[*:1] CC(C)(C[NH2+][C@H]1CCc2cc(Cl)ccc21)C[*:1]
CS[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 CC(C)(C)[*:1] CS[C@@H]1CCC[C@@H](C1)[NH2+]C1CCN(CC1)C(=O)C[*:1]
CS[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 CC(C)(C)C[*:1] CS[C@@H]1CCC[C@@H](C1)[NH2+]C1CCN(CC1)C(=O)[*:1]
Ic1cc(C[NH2+]CC2CC2)cs1 C1CC1[*:1] Ic1cc(cs1)C[NH2+]C[*:1]
Ic1cc(C[NH2+]CC2CC2)cs1 C1CC1C[*:1] Ic1cc(cs1)C[NH2+][*:1]
COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccc(F)cc4)nn32)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H]1CC(O)=Nc2c(C)c(nn21)[*:1]
COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccc(F)cc4)nn32)cc1 COc1ccc(cc1)[*:1] Cc1c(nn2c1N=C(O)C[C@H]2C(=O)N[*:1])-c1ccc(F)cc1
CC(C)(C)c1csc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 CC(C)(C)[*:1] O=C(NCc1nc(cs1)[*:1])c1cccc(c1)S(=O)(=O)[N-]c1ccccc1F
CC(C)(C)c1csc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 Fc1ccccc1[*:1] CC(C)(C)c1csc(CNC(=O)c2cccc(c2)S(=O)(=O)[N-][*:1])n1
CC(C)(C)c1csc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 CC(C)(C)c1csc(C[*:1])n1 O=C(N[*:1])c1cccc(c1)S(=O)(=O)[N-]c1ccccc1F
CC(C)(C)c1csc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)n1 CC(C)(C)c1csc(n1)[*:1] O=C(NC[*:1])c1cccc(c1)S(=O)(=O)[N-]c1ccccc1F
COC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 COC[*:1] C[C@H]([NH+]1CCN(CC1)CC(=O)Nc1ccc(Br)c(c1)C(F)(F)F)[*:1]
COC[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] COC[C@H](C)[NH+]1CCN(CC1)CC(=O)Nc1ccc(Br)c(c1)[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)Cc2ccsc2)C1 CC[S@](=O)[*:1] O=C(Cc1ccsc1)NNC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)Cc2ccsc2)C1 c1cc(cs1)C[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)NNC(=O)[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)Cc2ccsc2)C1 c1cc(cs1)[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)NNC(=O)C[*:1]
CN[C@H](C)c1cc[nH+]c(N2CCCCCCC2)c1 CN[C@H](C)[*:1] c1cc(cc([nH+]1)N1CCCCCCC1)[*:1]
Cc1ccc(C)c([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1 Clc1ccc(nn1)[*:1] Cc1ccc(C)c(c1)[C@H]1CC(O)=Nc2c1c(C)nn2[*:1]
Cc1ccc(C)c([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1 Cc1ccc(C)c(c1)[*:1] Cc1nn(-c2ccc(Cl)nn2)c2N=C(O)C[C@@H](c12)[*:1]
O=C(CCCNC(=O)c1ccco1)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CCCNC(=O)c1ccco1)Nc1ccc(Cl)c(c1)[*:1]
O=C(CCCNC(=O)c1ccco1)Nc1ccc(Cl)c(C(F)(F)F)c1 c1coc(c1)[*:1] O=C(CCCNC(=O)[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
O=C(CCCNC(=O)c1ccco1)Nc1ccc(Cl)c(C(F)(F)F)c1 O=C(N[*:1])c1ccco1 O=C(CCC[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
CC(C)CCN1C[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)CC1=O CC(C)C[*:1] O=C(Nc1ccc2cc[nH]c2c1)[C@H]1CC(=O)N(C1)C[*:1]
CC(C)CCN1C[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)CC1=O CC(C)CC[*:1] O=C(Nc1ccc2cc[nH]c2c1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)CCN1C[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)CC1=O CC(C)[*:1] O=C(Nc1ccc2cc[nH]c2c1)[C@H]1CC(=O)N(CC[*:1])C1
CCc1noc(CC)c1CC(=O)N(C)CCC#N N#CC[*:1] CCc1noc(CC)c1CC(=O)N(C)C[*:1]
CCc1noc(CC)c1CC(=O)N(C)CCC#N N#CCC[*:1] CCc1noc(CC)c1CC(=O)N(C)[*:1]
C[C@H](CC(=O)N[C@H](C)c1ccc(F)c(F)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C[C@@H](C)[*:1])c1ccc(F)c(F)c1
O=C([O-])CCCCCn1cc(Cl)c(I)n1 O=C([O-])CC[*:1] Clc1cn(CCC[*:1])nc1I
O=C([O-])CCCCCn1cc(Cl)c(I)n1 O=C([O-])[*:1] Clc1cn(CCCCC[*:1])nc1I
O=C([O-])CCCCCn1cc(Cl)c(I)n1 O=C([O-])C[*:1] Clc1cn(CCCC[*:1])nc1I
CC(C)Cc1nnc(NC(=O)c2ccc(Cl)nc2)s1 CC(C)[*:1] O=C(Nc1nnc(C[*:1])s1)c1ccc(Cl)nc1
CC(C)Cc1nnc(NC(=O)c2ccc(Cl)nc2)s1 CC(C)C[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(Cl)nc1
CC[C@H](C(=O)[O-])/C(=N\N=c1\[nH]c2ccccc2s1)C(F)(F)F FC(F)(F)[*:1] CC[C@H](C(=O)[O-])C(=N/N=c1/[nH]c2ccccc2s1)[*:1]
CC[C@H](C(=O)[O-])/C(=N\N=c1\[nH]c2ccccc2s1)C(F)(F)F O=C([O-])[*:1] CC[C@H](/C(=N\N=c1\[nH]c2ccccc2s1)C(F)(F)F)[*:1]
C[NH+](C)[C@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccccc1Cl Clc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)[C@H]1CCCc2ccccc21)[*:1]
COc1nc2ccccc2nc1NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] COc1nc2ccccc2nc1NC[C@@H]1CCN(C1)C(=O)O[*:1]
C[C@@H]1COCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] Fc1ccc(cc1)[*:1] C[C@@H]1COCCN1C(=O)c1nn(cc1[O-])[*:1]
COC(=O)C[C@@H](NC(=O)C[C@@H]1OCCc2ccccc21)C1CC1 COC(=O)[*:1] O=C(C[C@@H]1OCCc2ccccc21)N[C@H](C[*:1])C1CC1
COC(=O)C[C@@H](NC(=O)C[C@@H]1OCCc2ccccc21)C1CC1 COC(=O)C[*:1] O=C(C[C@@H]1OCCc2ccccc21)N[C@@H](C1CC1)[*:1]
COC(=O)C[C@@H](NC(=O)C[C@@H]1OCCc2ccccc21)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)C[C@@H]1OCCc2ccccc21)[*:1]
O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc(C2CC2)[nH]n1 C1CC1[*:1] O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc([nH]n1)[*:1]
CN(C)C(=O)C1(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)CCCC1 CN(C)C(=O)[*:1] O=C(NCC1(CCCC1)[*:1])N[C@@H]1C=C[C@H](CO)C1
Cc1cc(CNc2ncnc3c2CCCC3)no1 Cc1cc(no1)[*:1] c1nc2CCCCc2c(n1)NC[*:1]
O=C([C@@H]1CCCN1C(=O)COc1ccccc1F)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(COc1ccccc1F)N1CCC[C@H]1[*:1]
O=C([C@@H]1CCCN1C(=O)COc1ccccc1F)N1CCOCC1 Fc1ccccc1[*:1] O=C([C@@H]1CCCN1C(=O)CO[*:1])N1CCOCC1
O=C([C@@H]1CCCN1C(=O)COc1ccccc1F)N1CCOCC1 Fc1ccccc1O[*:1] O=C([C@@H]1CCCN1C(=O)C[*:1])N1CCOCC1
CNC(=O)c1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1F CNC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1ccc(Br)c(c1)[N+](=O)[O-]
CNC(=O)c1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1F O=[N+]([O-])[*:1] CNC(=O)c1cc(ccc1F)NC(=O)c1ccc(Br)c(c1)[*:1]
O=C(Nc1cc(N2CCCC2)ncn1)c1c[nH]c(=O)[nH]1 O=c1[nH]cc([nH]1)[*:1] O=C(Nc1cc(ncn1)N1CCCC1)[*:1]
O=C(Nc1cc(N2CCCC2)ncn1)c1c[nH]c(=O)[nH]1 C1CCN(C1)[*:1] O=C(Nc1cc(ncn1)[*:1])c1c[nH]c(=O)[nH]1
C[C@@H](C1CC1)n1nccc1NC(=O)[C@@]1(C)Oc2ccccc2NC1=O C1CC1[*:1] C[C@@H](n1nccc1NC(=O)[C@@]1(C)Oc2ccccc2NC1=O)[*:1]
C[C@@H](C1CC1)n1nccc1NC(=O)[C@@]1(C)Oc2ccccc2NC1=O C[C@@H](C1CC1)[*:1] C[C@@]1(Oc2ccccc2NC1=O)C(=O)Nc1ccnn1[*:1]
CCCS(=O)(=O)N1CCC[C@H](C(=O)NCc2nc3ccccc3n2C(C)C)C1 CCC[*:1] CC(C)n1c(CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)[*:1])nc2ccccc21
CCCS(=O)(=O)N1CCC[C@H](C(=O)NCc2nc3ccccc3n2C(C)C)C1 CC(C)[*:1] CCCS(=O)(=O)N1CCC[C@@H](C1)C(=O)NCc1nc2ccccc2n1[*:1]
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccncc1 CC[C@H](C)[*:1] O=C(Nc1ccncc1)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
C[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1
Cc1cccn2c(NC(=O)CCOC(C)C)c(-c3ccccc3)nc12 c1ccc(cc1)[*:1] Cc1cccn2c(NC(=O)CCOC(C)C)c(nc12)[*:1]
Cc1cccn2c(NC(=O)CCOC(C)C)c(-c3ccccc3)nc12 CC(C)OC[*:1] Cc1cccn2c(NC(=O)C[*:1])c(nc12)-c1ccccc1
Cc1cccn2c(NC(=O)CCOC(C)C)c(-c3ccccc3)nc12 CC(C)[*:1] Cc1cccn2c(NC(=O)CCO[*:1])c(nc12)-c1ccccc1
Cc1cccn2c(NC(=O)CCOC(C)C)c(-c3ccccc3)nc12 CC(C)O[*:1] Cc1cccn2c(NC(=O)CC[*:1])c(nc12)-c1ccccc1
Cc1cccn2c(NC(=O)CCOC(C)C)c(-c3ccccc3)nc12 CC(C)OCC[*:1] Cc1cccn2c(NC(=O)[*:1])c(nc12)-c1ccccc1
COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 COC[C@@H](C)NC(=O)[*:1] N#CC(=Cc1ccc(o1)-c1ccc(Cl)cc1[N+](=O)[O-])[*:1]
COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 O=[N+]([O-])[*:1] COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(o1)-c1ccc(Cl)cc1[*:1]
COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 COC[*:1] C[C@@H](NC(=O)/C(C#N)=C/c1ccc(o1)-c1ccc(Cl)cc1[N+](=O)[O-])[*:1]
CC(C)[NH+](C)CCNc1ccc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] CC(C)[NH+](C)CCNc1ccc(c(N)n1)[*:1]
CC(C)[NH+](C)CCNc1ccc([N+](=O)[O-])c(N)n1 CC(C)[*:1] C[NH+](CCNc1ccc(c(N)n1)[N+](=O)[O-])[*:1]
Cc1nc(C[NH2+][C@H](C)CCCO)sc1C OCCC[*:1] Cc1nc(C[NH2+][C@H](C)[*:1])sc1C
Cc1nc(C[NH2+][C@H](C)CCCO)sc1C OCC[*:1] Cc1nc(C[NH2+][C@H](C)C[*:1])sc1C
CC[C@@H](Oc1cccc(OC)c1)C(N)=O NC(=O)[*:1] CC[C@@H](Oc1cccc(c1)OC)[*:1]
COc1ccc([C@@H]2NC3(CCCC3)C(=O)N2CC(C)C)c(OC)c1OC CC(C)[*:1] COc1ccc(c(OC)c1OC)[C@@H]1NC2(CCCC2)C(=O)N1C[*:1]
COc1ccc([C@@H]2NC3(CCCC3)C(=O)N2CC(C)C)c(OC)c1OC CC(C)C[*:1] COc1ccc(c(OC)c1OC)[C@@H]1NC2(CCCC2)C(=O)N1[*:1]
CN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 CN(C)C(=O)[*:1] CC(C)(C)c1ccc(/C=C/C(=O)c2cccc(c2)OC[*:1])cc1
CN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 CN(C)C(=O)CO[*:1] CC(C)(C)c1ccc(/C=C/C(=O)c2cccc(c2)[*:1])cc1
CN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 CN(C)C(=O)C[*:1] CC(C)(C)c1ccc(/C=C/C(=O)c2cccc(c2)O[*:1])cc1
CN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 CC(C)(C)[*:1] CN(C)C(=O)COc1cccc(c1)C(=O)/C=C/c1ccc(cc1)[*:1]
CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)CC1 CN1CCN(CC1)S(=O)(=O)[*:1] O=C(Nc1ccc(Cl)c(c1)C(F)(F)F)c1cccc(c1)[*:1]
CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)CC1 FC(F)(F)[*:1] CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
CC[C@H](C)n1ncc(C(=O)Nc2ccnc(C(=O)N(C)C)c2)c1C1CC1 CN(C)C(=O)[*:1] CC[C@H](C)n1ncc(C(=O)Nc2ccnc(c2)[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)Nc2ccnc(C(=O)N(C)C)c2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)Nc2ccnc(c2)C(=O)N(C)C)c1[*:1]
CCOc1cc(/C=C(/C#N)c2nc3cc(OC)ccc3[nH]2)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] CCOc1cc(/C=C(/C#N)c2nc3cc(ccc3[nH]2)OC)cc(c1[O-])[*:1]
CCOc1cc(/C=C(/C#N)c2nc3cc(OC)ccc3[nH]2)cc([N+](=O)[O-])c1[O-] CCO[*:1] COc1ccc2[nH]c(nc2c1)/C(C#N)=C\c1cc(c([O-])c(c1)[*:1])[N+](=O)[O-]
O=C(C[C@@H](O)c1ccccc1)NCc1ccnc2ccccc12 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])NCc1ccnc2ccccc12
Cc1cc(NCc2nc(-c3ccc(F)cc3)n[nH]2)n2ncnc2n1 Fc1ccc(cc1)[*:1] Cc1cc(NCc2nc(n[nH]2)[*:1])n2ncnc2n1
CCN[C@@]1(C(=O)OC)CCC[C@H](N2CC[NH+](C)CC2)C1 CCN[*:1] COC(=O)[C@]1(CCC[C@@H](C1)N1CC[NH+](C)CC1)[*:1]
CCN[C@@]1(C(=O)OC)CCC[C@H](N2CC[NH+](C)CC2)C1 COC(=O)[*:1] CCN[C@]1(CCC[C@@H](C1)N1CC[NH+](C)CC1)[*:1]
CCCC[C@@H]([NH3+])c1nc([C@H]2CN(CC)CCO2)no1 CCC[*:1] CCN1CCO[C@H](C1)c1noc(n1)[C@H]([NH3+])C[*:1]
CCCC[C@@H]([NH3+])c1nc([C@H]2CN(CC)CCO2)no1 CCCC[*:1] CCN1CCO[C@H](C1)c1noc(n1)[C@H]([NH3+])[*:1]
CC[C@H](NC(=O)CNc1cccc(C(=O)N(C)C)c1)c1ccc(Cl)cc1 CN(C)C(=O)[*:1] CC[C@H](NC(=O)CNc1cccc(c1)[*:1])c1ccc(Cl)cc1
CC[C@H](NC(=O)CNc1cccc(C(=O)N(C)C)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)CNc1cccc(c1)C(=O)N(C)C)[*:1]
O=C(NCCCN1CCOCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12 C1CN(CCO1)C[*:1] O=C(NCC[*:1])c1cnn2c(cc(nc12)C1CC1)C(F)F
O=C(NCCCN1CCOCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12 FC(F)[*:1] O=C(NCCCN1CCOCC1)c1cnn2c(cc(nc12)C1CC1)[*:1]
O=C(NCCCN1CCOCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12 C(CN1CCOCC1)C[*:1] O=C(N[*:1])c1cnn2c(cc(nc12)C1CC1)C(F)F
O=C(NCCCN1CCOCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12 C1CN(CCO1)[*:1] O=C(NCCC[*:1])c1cnn2c(cc(nc12)C1CC1)C(F)F
O=C(NCCCN1CCOCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12 C1CN(CCO1)CC[*:1] O=C(NC[*:1])c1cnn2c(cc(nc12)C1CC1)C(F)F
O=C(NCCCN1CCOCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12 C1CC1[*:1] O=C(NCCCN1CCOCC1)c1cnn2c(cc(nc12)[*:1])C(F)F
C[C@H]1CCC[C@H](C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)C1 OC1CCN(CC1)[*:1] C[C@H]1CCC[C@@H](C1)C(=O)N[C@@H](C)c1cc(F)ccc1[*:1]
Cc1ccc(C(=O)OCCCc2cccnc2)c(C)n1 c1cncc(c1)[*:1] Cc1ccc(C(=O)OCCC[*:1])c(C)n1
C[C@@H]1CCCCN1C(=O)Cn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21 O=C(N[*:1])c1ccccc1Cl C[C@@H]1CCCCN1C(=O)Cn1c(C[*:1])nc2ccccc21
C[C@@H]1CCCCN1C(=O)Cn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21 Clc1ccccc1[*:1] C[C@@H]1CCCCN1C(=O)Cn1c(CNC(=O)[*:1])nc2ccccc21
COc1ccc(CNC(=O)Nc2nc(C)cs2)cc1OC Cc1csc(n1)[*:1] COc1ccc(cc1OC)CNC(=O)N[*:1]
CCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3cccc(C)c3)C2)s1 CCC[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)c1nnc(NC(=O)[*:1])s1
CCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3cccc(C)c3)C2)s1 CCCC(=O)N[*:1] Cc1cccc(c1)N1C[C@H](CC1=O)c1nnc(s1)[*:1]
CCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3cccc(C)c3)C2)s1 Cc1cccc(c1)[*:1] CCCC(=O)Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)c2ccccc2)CC1 CC(C)(C)[*:1] O=C(c1ccccc1)N1CCN(CC1)C[C@H](O)CO[*:1]
CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)(C)OC[C@@H](O)CN1CCN(CC1)C(=O)[*:1]
CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)c2ccccc2)CC1 CC(C)(C)OC[*:1] O=C(c1ccccc1)N1CCN(CC1)C[C@H](O)[*:1]
CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)c2ccccc2)CC1 CC(C)(C)O[*:1] O=C(c1ccccc1)N1CCN(CC1)C[C@H](O)C[*:1]
Cc1nn(-c2ccccc2)cc1CCCNC(=O)C1(C#N)CCCC1 c1ccc(cc1)[*:1] Cc1nn(cc1CCCNC(=O)C1(C#N)CCCC1)[*:1]
Cc1nn(-c2ccccc2)cc1CCCNC(=O)C1(C#N)CCCC1 N#CC1(CCCC1)[*:1] Cc1nn(cc1CCCNC(=O)[*:1])-c1ccccc1
COC(=O)c1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c[nH]1 COC(=O)[*:1] c1[nH]c(cc1CN1CCC[C@@H](CC1)[NH+]1CCCC1)[*:1]
CC(C)C(=O)NCCNC(=O)Cn1cnc2ccccc2c1=O CC(C)C(=O)NC[*:1] O=C(Cn1cnc2ccccc2c1=O)NC[*:1]
CC(C)C(=O)NCCNC(=O)Cn1cnc2ccccc2c1=O CC(C)C(=O)N[*:1] O=C(Cn1cnc2ccccc2c1=O)NCC[*:1]
CC(C)C(=O)NCCNC(=O)Cn1cnc2ccccc2c1=O CC(C)[*:1] O=C(Cn1cnc2ccccc2c1=O)NCCNC(=O)[*:1]
COc1cccc([C@@H]2N=[NH+]C(=S)N2/N=C/c2cccc(Cl)c2Cl)c1 COc1cccc(c1)[*:1] S=C1[NH+]=N[C@H](N1/N=C/c1cccc(Cl)c1Cl)[*:1]
COc1cccc([C@@H]2N=[NH+]C(=S)N2/N=C/c2cccc(Cl)c2Cl)c1 Clc1cccc(c1Cl)[*:1] COc1cccc(c1)[C@@H]1N=[NH+]C(=S)N1N=C[*:1]
Nc1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Nc1nc(cc(n1)[*:1])N1CCC[C@@H](C1)C[NH+]1CCCCCC1
CCOCc1ccccc1N[C@H]1CC[C@@H]([NH3+])C1 CCOC[*:1] [NH3+][C@@H]1CC[C@@H](C1)Nc1ccccc1[*:1]
CCOCc1ccccc1N[C@H]1CC[C@@H]([NH3+])C1 CCO[*:1] [NH3+][C@@H]1CC[C@@H](C1)Nc1ccccc1C[*:1]
CC(=O)Nc1ccc(NC(=O)C2CCC(Cn3cnnn3)CC2)cc1 c1nnnn1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C1CCC(CC1)C[*:1]
CC(=O)Nc1ccc(NC(=O)C2CCC(Cn3cnnn3)CC2)cc1 c1nnnn1C[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C1CCC(CC1)[*:1]
CC(=O)Nc1ccc(NC(=O)C2CCC(Cn3cnnn3)CC2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCC(CC1)Cn1cnnn1
CCNc1ccc(C(=O)N/N=C2\CCCc3c(C)cc(C)cc32)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1ccc(cc1[*:1])C(=O)N/N=C1\CCCc2c(C)cc(C)cc21
CCNc1ccc(C(=O)N/N=C2\CCCc3c(C)cc(C)cc32)cc1[N+](=O)[O-] CCN[*:1] Cc1cc(C)c2CCC/C(=N\NC(=O)c3ccc(c(c3)[N+](=O)[O-])[*:1])c2c1
C=C(C)CN(CC)C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 C=C(C)[*:1] CCN(C[*:1])C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2
C=C(C)CN(CC)C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 C=C(C)C[*:1] CCN(C(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nn3cnc4c(cnn4-c4ccc(C)c(C)c4)c3=O)CC2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(cc1C)-n1ncc2c(=O)n(cnc21)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)Nn3cnc4c(cnn4-c4ccc(C)c(C)c4)c3=O)CC2=O)cc1C Cc1ccc(cc1C)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)Nn1cnc2c(cnn2[*:1])c1=O
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1ccc2OCCOc2c1
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 c1ccc(cc1)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1ccc2OCCOc2c1
CCc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)ccc2=O)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)[C@@H](C)n1nc(ccc1=O)[*:1]
CCc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)ccc2=O)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)N[*:1]
Nc1ccc(F)cc1COc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Nc1ccc(F)cc1COc1cccc(c1)[*:1]
COc1ccc(F)c(N[C@H]2CCOC2)c1 C1C[C@@H](CO1)[*:1] COc1ccc(F)c(c1)N[*:1]
O=C(/C=C/c1ccccc1)C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(C=C[*:1])C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1
O=C(/C=C/c1ccccc1)C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 O=C(/C=C/c1ccccc1)[*:1] O=C1C([O-])=C([C@H](c2ccc(Br)cc2)N1Cc1cccnc1)[*:1]
O=C(/C=C/c1ccccc1)C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 c1cncc(c1)C[*:1] O=C(/C=C/c1ccccc1)C1=C([O-])C(=O)N([C@H]1c1ccc(Br)cc1)[*:1]
O=C(/C=C/c1ccccc1)C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 c1cncc(c1)[*:1] O=C(/C=C/c1ccccc1)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(Br)cc1
O=C(/C=C/c1ccccc1)C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1[*:1]
O=C(/C=C/c1ccccc1)C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 C(=C[*:1])c1ccccc1 O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(Br)cc2)N1Cc1cccnc1
Cc1cccc(O[C@H](C)C(=O)N/N=C/c2ccco2)c1 c1coc(c1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)NN=C[*:1]
CCOc1cc2c(cc1NC(=O)Nc1nccs1)O[C@H](C)C2 c1csc(n1)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1NC(=O)N[*:1]
CCOc1cc2c(cc1NC(=O)Nc1nccs1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)NC(=O)Nc1nccs1)[*:1]
C[NH2+][C@@H](c1cccnc1)[C@H]1CCO[C@]2(CCSC2)C1 c1cncc(c1)[*:1] C[NH2+][C@@H]([C@H]1CCO[C@]2(CCSC2)C1)[*:1]
Cn1cnnc1[C@H]1CCCN(C(=O)CCOc2ccccc2F)C1 Fc1ccccc1[*:1] Cn1cnnc1[C@H]1CCCN(C1)C(=O)CCO[*:1]
Cn1cnnc1[C@H]1CCCN(C(=O)CCOc2ccccc2F)C1 Cn1cnnc1[*:1] O=C(CCOc1ccccc1F)N1CCC[C@@H](C1)[*:1]
Cn1cnnc1[C@H]1CCCN(C(=O)CCOc2ccccc2F)C1 Fc1ccccc1O[*:1] Cn1cnnc1[C@H]1CCCN(C1)C(=O)CC[*:1]
COCC(=O)N1CCC(c2cc(Cc3ccc(C)cc3)cc(C)[nH+]2)CC1 Cc1ccc(cc1)[*:1] COCC(=O)N1CCC(CC1)c1cc(cc(C)[nH+]1)C[*:1]
COCC(=O)N1CCC(c2cc(Cc3ccc(C)cc3)cc(C)[nH+]2)CC1 Cc1ccc(cc1)C[*:1] COCC(=O)N1CCC(CC1)c1cc(cc(C)[nH+]1)[*:1]
COCC(=O)N1CCC(c2cc(Cc3ccc(C)cc3)cc(C)[nH+]2)CC1 COC[*:1] Cc1ccc(cc1)Cc1cc(C)[nH+]c(c1)C1CCN(CC1)C(=O)[*:1]
O=C([C@@H]1CCOC1)N1CCC2=C(C1)[C@H](c1ccc(C(F)(F)F)cc1)[NH+]=N2 FC(F)(F)[*:1] O=C([C@@H]1CCOC1)N1CCC2N=[NH+][C@H](C=2C1)c1ccc(cc1)[*:1]
O=C([C@@H]1CCOC1)N1CCC2=C(C1)[C@H](c1ccc(C(F)(F)F)cc1)[NH+]=N2 C1C[C@H](CO1)[*:1] O=C(N1CCC2N=[NH+][C@H](C=2C1)c1ccc(cc1)C(F)(F)F)[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1Cl c1ccc(cc1)[*:1] CC[C@@H](C)[C@H](NC(=O)[*:1])C(=O)Nc1ccccc1Cl
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1Cl CC[C@@H](C)[*:1] O=C(N[C@H](C(=O)Nc1ccccc1Cl)[*:1])c1ccccc1
Cc1cccc([C@@H](CNC(=O)N[C@@H](C)[C@@H]2CCCO2)N2CCOCC2)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)NC[C@@H](N1CCOCC1)[*:1])[C@@H]1CCCO1
Cc1cccc([C@@H](CNC(=O)N[C@@H](C)[C@@H]2CCCO2)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCCO1)[*:1]
Cc1cccc([C@@H](CNC(=O)N[C@@H](C)[C@@H]2CCCO2)N2CCOCC2)c1 C1CO[C@@H](C1)[*:1] Cc1cccc(c1)[C@@H](CNC(=O)N[C@@H](C)[*:1])N1CCOCC1
CN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)c(c1)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
CC(C)CC1(CNS(=O)(=O)c2ccccc2N)CCCC1 CC(C)C[*:1] Nc1ccccc1S(=O)(=O)NCC1(CCCC1)[*:1]
CC(C)CC1(CNS(=O)(=O)c2ccccc2N)CCCC1 CC(C)[*:1] Nc1ccccc1S(=O)(=O)NCC1(CCCC1)C[*:1]
CC(C)CC1(CNS(=O)(=O)c2ccccc2N)CCCC1 Nc1ccccc1[*:1] CC(C)CC1(CCCC1)CNS(=O)(=O)[*:1]
CC1CC(=O)N(Cc2cnn(-c3ccccc3)n2)C(=O)C1 c1ccc(cc1)[*:1] CC1CC(=O)N(Cc2cnn(n2)[*:1])C(=O)C1
Cc1occc1C(=O)Nc1ccccc1OCC[NH3+] [NH3+]CC[*:1] Cc1occc1C(=O)Nc1ccccc1O[*:1]
Cc1occc1C(=O)Nc1ccccc1OCC[NH3+] [NH3+]CCO[*:1] Cc1occc1C(=O)Nc1ccccc1[*:1]
Cc1occc1C(=O)Nc1ccccc1OCC[NH3+] Cc1occc1[*:1] [NH3+]CCOc1ccccc1NC(=O)[*:1]
O=C(NCCCN1CCOCC1)c1ccc(-c2cncnc2)nc1 C1CN(CCO1)CC[*:1] O=C(NC[*:1])c1ccc(nc1)-c1cncnc1
O=C(NCCCN1CCOCC1)c1ccc(-c2cncnc2)nc1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])c1ccc(nc1)-c1cncnc1
O=C(NCCCN1CCOCC1)c1ccc(-c2cncnc2)nc1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])c1ccc(nc1)-c1cncnc1
O=C(NCCCN1CCOCC1)c1ccc(-c2cncnc2)nc1 c1ncc(cn1)[*:1] O=C(NCCCN1CCOCC1)c1ccc(nc1)[*:1]
O=C(CCCCc1nc2ccccc2s1)NCc1cscn1 c1nc(cs1)C[*:1] O=C(CCCCc1nc2ccccc2s1)N[*:1]
O=C(CCCCc1nc2ccccc2s1)NCc1cscn1 c1nc(cs1)[*:1] O=C(CCCCc1nc2ccccc2s1)NC[*:1]
CC[C@@](C)([NH2+]Cc1ccc(C(N)=O)cc1F)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)([NH2+]Cc1ccc(cc1F)C(N)=O)[*:1]
CC[C@@](C)([NH2+]Cc1ccc(C(N)=O)cc1F)C(=O)[O-] NC(=O)[*:1] CC[C@@](C)([NH2+]Cc1ccc(cc1F)[*:1])C(=O)[O-]
Cc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C)[*:1])C1=O
Cc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[C@@H](C)[*:1] Cc1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
CNC(=O)c1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2o1 CNC(=O)[*:1] O=C(CSc1nc2ccccc2o1)Nc1cc(Cl)ccc1[*:1]
O=C(NCCc1cc(F)cc2c1OCOC2)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(NCCc1cc(F)cc2COCOc12)N[*:1]
O=C(NCCc1cc(F)cc2c1OCOC2)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(NCCc1cc(F)cc2COCOc12)NC[*:1]
O=C(Cn1cnc2ccccc2c1=O)NCC(=O)Nc1ccc2cc[nH]c2c1 c1cc2ccc(cc2[nH]1)[*:1] O=C(Cn1cnc2ccccc2c1=O)NCC(=O)N[*:1]
CS(=O)(=O)N1CCC(CNC(=O)/C=C/c2ccsc2)CC1 c1cc(cs1)[*:1] CS(=O)(=O)N1CCC(CC1)CNC(=O)C=C[*:1]
CS(=O)(=O)N1CCC(CNC(=O)/C=C/c2ccsc2)CC1 C(=C[*:1])c1ccsc1 CS(=O)(=O)N1CCC(CC1)CNC(=O)[*:1]
C[NH+]1CCN([C@@H](CNc2nc(C(F)(F)F)nc3ccccc23)c2cccs2)CC1 FC(F)(F)[*:1] C[NH+]1CCN(CC1)[C@@H](CNc1nc(nc2ccccc12)[*:1])c1cccs1
C[NH+]1CCN([C@@H](CNc2nc(C(F)(F)F)nc3ccccc23)c2cccs2)CC1 c1csc(c1)[*:1] C[NH+]1CCN(CC1)[C@@H](CNc1nc(nc2ccccc12)C(F)(F)F)[*:1]
CCOc1ccccc1C(F)(F)c1nc(-c2ccc(C#N)cn2)no1 N#Cc1ccc(nc1)[*:1] CCOc1ccccc1C(F)(F)c1nc(no1)[*:1]
CCOc1ccccc1C(F)(F)c1nc(-c2ccc(C#N)cn2)no1 CCO[*:1] N#Cc1ccc(nc1)-c1noc(n1)C(F)(F)c1ccccc1[*:1]
CC(C)(O)CNC(=O)N[C@@H]1CCCOc2c1ccc1ccccc21 CC(C)(O)[*:1] O=C(NC[*:1])N[C@@H]1CCCOc2c1ccc1ccccc21
CC(C)(O)CNC(=O)N[C@@H]1CCCOc2c1ccc1ccccc21 CC(C)(O)C[*:1] O=C(N[C@@H]1CCCOc2c1ccc1ccccc21)N[*:1]
CC(C)N(C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] CC(C)N(C)C(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1
CC(C)N(C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] CC(C)N(C)C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CC(C)N(C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 CC(C)[*:1] CN(C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2ccccc2)c1[N+](=O)[O-] CC(=O)O[*:1] COc1c(ccc(/C=N/NC(=O)c2ccccc2)c1[N+](=O)[O-])[*:1]
COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1c(ccc(/C=N/NC(=O)c2ccccc2)c1[*:1])OC(C)=O
COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] COc1c(ccc(/C=N/NC(=O)[*:1])c1[N+](=O)[O-])OC(C)=O
COc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C2=NC(=O)SC2)cc1OC COc1ccc(cc1OC)[*:1] O=C1N=C(CS1)N1N=C(C[C@H]1[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C2=NC(=O)SC2)cc1OC O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=NN1C1CSC(=O)N=1)[*:1]
COc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C2=NC(=O)SC2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)[C@@H]1CC(=NN1C1CSC(=O)N=1)c1ccc(cc1)[*:1]
CCSCc1cccc(NC(=O)c2ccccc2Cn2cncn2)c1 CCSC[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1Cn1cncn1
CCSCc1cccc(NC(=O)c2ccccc2Cn2cncn2)c1 CCS[*:1] O=C(Nc1cccc(c1)C[*:1])c1ccccc1Cn1cncn1
CCSCc1cccc(NC(=O)c2ccccc2Cn2cncn2)c1 c1ncn(n1)[*:1] CCSCc1cccc(c1)NC(=O)c1ccccc1C[*:1]
CCSCc1cccc(NC(=O)c2ccccc2Cn2cncn2)c1 c1ncn(C[*:1])n1 CCSCc1cccc(c1)NC(=O)c1ccccc1[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C)nc2C)C1 COC(=O)C(C)(C)[*:1] Cc1ccc(C(=O)N2CCC[C@H](C2)[*:1])c(C)n1
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C)nc2C)C1 COC(=O)[*:1] Cc1ccc(C(=O)N2CCC[C@H](C2)C(C)(C)[*:1])c(C)n1
Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@](C)(C(=O)NCc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@](C)(C1)C(=O)N[*:1]
Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@](C)(C(=O)NCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@](C)(C1)C(=O)NC[*:1]
Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@](C)(C(=O)NCc2ccc(F)cc2)C1 Cc1ccc(F)cc1[*:1] C[C@@]1(CCCN(C1)S(=O)(=O)[*:1])C(=O)NCc1ccc(F)cc1
CC(C)c1ccc(O[C@H](C)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 CC(C)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)NCc1ccc(cc1)S(N)(=O)=O
CC(C)c1ccc(O[C@H](C)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 NS(=O)(=O)[*:1] CC(C)c1ccc(cc1)O[C@H](C)C(=O)NCc1ccc(cc1)[*:1]
CC(C)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 CC(C)CSC[*:1] O=c1[nH]c(nc2sc3CCCc3c12)[*:1]
CC(C)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 CC(C)CS[*:1] O=c1[nH]c(C[*:1])nc2sc3CCCc3c12
CC(C)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 CC(C)C[*:1] O=c1[nH]c(CS[*:1])nc2sc3CCCc3c12
CC(C)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 CC(C)[*:1] O=c1[nH]c(CSC[*:1])nc2sc3CCCc3c12
C[C@H](N[C@@H]1CCN(C)C1=O)c1ccc2c(c1)C(C)(C)C(=O)N2 CN1CC[C@H](C1=O)[*:1] C[C@H](N[*:1])c1ccc2NC(=O)C(C)(C)c2c1
CC(C)CC(=O)NC[C@](C)(O)c1ccc(F)cc1 CC(C)C[*:1] C[C@](O)(CNC(=O)[*:1])c1ccc(F)cc1
CC(C)CC(=O)NC[C@](C)(O)c1ccc(F)cc1 CC(C)[*:1] C[C@](O)(CNC(=O)C[*:1])c1ccc(F)cc1
CC(C)[C@H](c1ccccc1)N(C)C(=O)CS(=O)(=O)C1CCCC1 c1ccc(cc1)[*:1] CC(C)[C@H](N(C)C(=O)CS(=O)(=O)C1CCCC1)[*:1]
CC(C)[C@H](c1ccccc1)N(C)C(=O)CS(=O)(=O)C1CCCC1 CC(C)[*:1] CN(C(=O)CS(=O)(=O)C1CCCC1)[C@@H](c1ccccc1)[*:1]
CC(C)[C@H](c1ccccc1)N(C)C(=O)CS(=O)(=O)C1CCCC1 C1CCC(C1)[*:1] CC(C)[C@H](c1ccccc1)N(C)C(=O)CS(=O)(=O)[*:1]
CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])c1cccc(c1)[*:1] CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(c1)NC(=O)[*:1]
CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 CCO[*:1] O=C(Nc1cccc(c1)[C@@H]1SCC(=O)N1c1ccccc1[*:1])c1cccc(c1)[N+](=O)[O-]
CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 CCOc1ccccc1[*:1] O=C(Nc1cccc(c1)[C@@H]1SCC(=O)N1[*:1])c1cccc(c1)[N+](=O)[O-]
CS(=O)(=O)c1c(Cl)cccc1NC(=O)N[C@@H]1C=C[C@H](CO)C1 CS(=O)(=O)[*:1] O=C(Nc1cccc(Cl)c1[*:1])N[C@@H]1C=C[C@H](CO)C1
C[C@@H]1c2cc(F)ccc2CCN1Cc1cn(C)nc1-c1ccncc1 c1cc(ccn1)[*:1] C[C@@H]1c2cc(F)ccc2CCN1Cc1cn(C)nc1[*:1]
CSCC[C@@H](NC(=O)c1ccc(F)cc1)C1[NH+]=c2ccccc2=[NH+]1 CSC[*:1] O=C(N[C@H](C[*:1])C1[NH+]=c2ccccc2=[NH+]1)c1ccc(F)cc1
CSCC[C@@H](NC(=O)c1ccc(F)cc1)C1[NH+]=c2ccccc2=[NH+]1 Fc1ccc(cc1)[*:1] CSCC[C@@H](NC(=O)[*:1])C1[NH+]=c2ccccc2=[NH+]1
CSCC[C@@H](NC(=O)c1ccc(F)cc1)C1[NH+]=c2ccccc2=[NH+]1 CSCC[*:1] O=C(N[C@@H](C1[NH+]=c2ccccc2=[NH+]1)[*:1])c1ccc(F)cc1
COC(=O)C1=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H](c2ccncc2)C(C#N)=C1N c1cc(ccn1)[*:1] COC(=O)C1C(N)=C(C#N)[C@H](n2c=1s/c(=C/c1ccncc1)c2=O)[*:1]
COC(=O)C1=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H](c2ccncc2)C(C#N)=C1N COC(=O)[*:1] N#CC1=C(N)C(=c2s/c(=C/c3ccncc3)c(=O)n2[C@H]1c1ccncc1)[*:1]
COC(=O)C1=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H](c2ccncc2)C(C#N)=C1N c1cc(ccn1)[*:1] COC(=O)C1C(N)=C(C#N)[C@H](c2ccncc2)n2c=1sc(=C[*:1])c2=O
COC(=O)N1CCC[C@H]1C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] COC(=O)N1CCC[C@H]1C(=O)NC[C@H](C)c1nc(no1)[*:1]
COc1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] FC(F)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N(C)Cc1ccc(cc1)O[*:1]
COc1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] FC(F)O[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N(C)Cc1ccc(cc1)[*:1]
COc1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)N(C)Cc1ccc(cc1)OC(F)F
CCCc1ccc([C@@H]([NH3+])C2(CC)CCCC2)cc1 CCC[*:1] CCC1(CCCC1)[C@H]([NH3+])c1ccc(cc1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)CCc2ccco2)c1 c1coc(c1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)CC[*:1]
COC(=O)c1ccc(C)c(NC(=O)CCc2ccco2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)CCc1ccco1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)CCc2ccco2)c1 c1coc(c1)C[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)C[*:1]
COC(=O)c1ccc(C)c(NC(=O)CCc2ccco2)c1 c1coc(c1)CC[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)[*:1]
CCOc1ccc(NC(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)cc1 CCOc1ccc(cc1)[*:1] Cc1nc(c2c(C)c(sc2n1)C(=O)N[*:1])N1CCC(C)CC1
CCOc1ccc(NC(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)cc1 CCO[*:1] Cc1nc(c2c(C)c(sc2n1)C(=O)Nc1ccc(cc1)[*:1])N1CCC(C)CC1
CCOc1ccc(NC(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)cc1 CC1CCN(CC1)[*:1] CCOc1ccc(cc1)NC(=O)c1sc2nc(C)nc(c2c1C)[*:1]
COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 COc1ccc(cc1)[*:1] N#CC1=C(N)Oc2n[nH]c(c2[C@@H]1c1ccc(F)cc1F)[*:1]
COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1)-c1[nH]nc2OC(N)=C(C#N)[C@@H](c21)[*:1]
CCC1(CNC(=O)C(=O)Nc2ccc(Br)cc2F)CC1 CCC1(CC1)C[*:1] O=C(Nc1ccc(Br)cc1F)C(=O)N[*:1]
CCC1(CNC(=O)C(=O)Nc2ccc(Br)cc2F)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(Br)cc1F
C/C(=N/NC(=O)COc1ccccc1F)c1cccnc1 Fc1ccccc1[*:1] C/C(=N/NC(=O)CO[*:1])c1cccnc1
C/C(=N/NC(=O)COc1ccccc1F)c1cccnc1 c1cncc(c1)[*:1] CC(=NNC(=O)COc1ccccc1F)[*:1]
COc1ccccc1CN(CCO)c1cncc(-n2nc(C)cc2C)n1 Cc1cc(C)n(n1)[*:1] COc1ccccc1CN(CCO)c1cncc(n1)[*:1]
COc1ccccc1CN(CCO)c1cncc(-n2nc(C)cc2C)n1 COc1ccccc1[*:1] Cc1cc(C)n(n1)-c1cncc(n1)N(CCO)C[*:1]
COc1ccccc1CN(CCO)c1cncc(-n2nc(C)cc2C)n1 OCC[*:1] COc1ccccc1CN(c1cncc(n1)-n1nc(C)cc1C)[*:1]
C#CCOC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 C#CCO[*:1] O[C@H](C[NH+]1CCN(CC1)c1ccccc1)C[*:1]
C#CCOC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 C#CC[*:1] O[C@@H](CO[*:1])C[NH+]1CCN(CC1)c1ccccc1
C#CCOC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C#CCOC[C@H](O)C[NH+]1CCN(CC1)[*:1]
C#CCOC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 C#CCOC[*:1] O[C@H](C[NH+]1CCN(CC1)c1ccccc1)[*:1]
Cc1ccc(NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)n[nH+]1 c1ccc(nc1)[*:1] Cc1ccc(n[nH+]1)NCc1nc(-c2cccc(F)c2)c([nH]1)[*:1]
Cc1ccc(NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)n[nH+]1 Fc1cccc(c1)[*:1] Cc1ccc(n[nH+]1)NCc1nc(c([nH]1)-c1ccccn1)[*:1]
COCC(=O)Nc1cccc(-c2ccc3c(c2)OCO3)c1 COCC(=O)N[*:1] c1cc(cc(c1)[*:1])-c1ccc2OCOc2c1
COCC(=O)Nc1cccc(-c2ccc3c(c2)OCO3)c1 COC[*:1] O=C(Nc1cccc(c1)-c1ccc2OCOc2c1)[*:1]
COC(=O)C(C)(C)CS(=O)(=O)C1CCCC1 COC(=O)[*:1] CC(C)(CS(=O)(=O)C1CCCC1)[*:1]
COC(=O)C(C)(C)CS(=O)(=O)C1CCCC1 C1CCC(C1)[*:1] COC(=O)C(C)(C)CS(=O)(=O)[*:1]
COc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCO)[C@H]3[*:1]
COc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)cc1 OCC[*:1] COc1ccc(cc1)[C@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1C[*:1]
COc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCO)cc1 OCCC[*:1] COc1ccc(cc1)[C@H]1c2c(oc3cc(C)cc(C)c3c2=O)C(=O)N1[*:1]
O=C(c1csc(Cc2ccccc2)n1)N1CCO[C@@H]2CCCC[C@@H]21 c1ccc(cc1)C[*:1] O=C(c1csc(n1)[*:1])N1CCO[C@@H]2CCCC[C@@H]21
O=C(c1csc(Cc2ccccc2)n1)N1CCO[C@@H]2CCCC[C@@H]21 c1ccc(cc1)[*:1] O=C(c1csc(C[*:1])n1)N1CCO[C@@H]2CCCC[C@@H]21
CCc1cc(=O)[nH]c(-c2ccc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)[nH+]c2)n1 CCc1cc(=O)[nH]c(n1)[*:1] CC(C)[C@H](C)NC(=O)C1CCN(CC1)c1ccc(c[nH+]1)[*:1]
CCc1cc(=O)[nH]c(-c2ccc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)[nH+]c2)n1 CC(C)[C@H](C)NC(=O)[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc([nH+]c1)N1CCC(CC1)[*:1]
CCc1cc(=O)[nH]c(-c2ccc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)[nH+]c2)n1 CC(C)[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc([nH+]c1)N1CCC(CC1)C(=O)N[C@@H](C)[*:1]
CCc1cc(=O)[nH]c(-c2ccc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)[nH+]c2)n1 CC(C)[C@H](C)[*:1] CCc1cc(=O)[nH]c(n1)-c1ccc([nH+]c1)N1CCC(CC1)C(=O)N[*:1]
Cn1cc(CC/C([O-])=N/S(=O)(=O)c2ccccc2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])c1ccccc1
Cn1cc(CC/C([O-])=N/S(=O)(=O)c2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)CC/C([O-])=N/S(=O)(=O)[*:1]
CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCc2ccccc2C[NH+](C)C)c1 CC(=O)N[*:1] C[NH+](C)Cc1ccccc1CNC(=O)C(=O)Nc1cc(ccc1F)[*:1]
O=C(N/N=C/c1cccc2ccccc12)c1ccccc1F Fc1ccccc1[*:1] O=C(N/N=C/c1cccc2ccccc12)[*:1]
C[C@H](C(=O)[O-])[C@@H](C)n1ccc(C(=O)N(C)C)n1 CN(C)C(=O)[*:1] C[C@H](C(=O)[O-])[C@@H](C)n1ccc(n1)[*:1]
C[C@H](C(=O)[O-])[C@@H](C)n1ccc(C(=O)N(C)C)n1 O=C([O-])[*:1] C[C@H]([C@@H](C)n1ccc(n1)C(=O)N(C)C)[*:1]
CCC[C@@H]1CN(C(=O)c2ccc(C(=O)OC)s2)CCO1 CCC[*:1] COC(=O)c1ccc(s1)C(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)c2ccc(C(=O)OC)s2)CCO1 COC(=O)[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1ccc(s1)[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)nc2ccsc2c1=O C=CC[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@@H](C)Sc1nc2ccsc2c(=O)n1[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)nc2ccsc2c1=O CC(=O)N[*:1] C=CCn1c(nc2ccsc2c1=O)S[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CC(C)C[C@H](NC(=O)[C@](C)(N)C(F)(F)F)C(=O)[O-] CC(C)C[*:1] C[C@](N)(C(=O)N[C@H](C(=O)[O-])[*:1])C(F)(F)F
CC(C)C[C@H](NC(=O)[C@](C)(N)C(F)(F)F)C(=O)[O-] CC(C)[*:1] C[C@](N)(C(=O)N[C@@H](C[*:1])C(=O)[O-])C(F)(F)F
CC(C)C[C@H](NC(=O)[C@](C)(N)C(F)(F)F)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](NC(=O)[C@](C)(N)C(F)(F)F)[*:1]
CC(C)C[C@H](NC(=O)[C@](C)(N)C(F)(F)F)C(=O)[O-] FC(F)(F)[*:1] CC(C)C[C@H](NC(=O)[C@](C)(N)[*:1])C(=O)[O-]
CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C3)cc2n1 CC(C)[*:1] O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C1)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C3)cc2n1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)c1cc(n2nc(cc2n1)[C@H]1CCN(C1)C(=O)[*:1])C(F)(F)F
CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C3)cc2n1 FC(F)(F)[*:1] CC(C)c1cc(n2nc(cc2n1)[C@H]1CCN(C1)C(=O)[C@@H]1CCS(=O)(=O)C1)[*:1]
COCC[C@H](C)NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 COCC[*:1] C[C@H](NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
COCC[C@H](C)NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 COCC[C@H](C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)N[*:1]
COCC[C@H](C)NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 COC[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
CCOC(=O)c1c(NC(=S)C(N)=O)sc2c1CCCC2 NC(=O)C(=S)N[*:1] CCOC(=O)c1c(sc2CCCCc21)[*:1]
CCOC(=O)c1c(NC(=S)C(N)=O)sc2c1CCCC2 CCOC(=O)[*:1] NC(=O)C(=S)Nc1sc2CCCCc2c1[*:1]
Cc1ccc(/C([O-])=N/S(=O)(=O)/C=C/c2ccccc2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)/C([O-])=N/S(=O)(=O)C=C[*:1]
COc1ccc(C[NH+]2CCC(Cn3nc(C)cc3C)CC2)c(Cl)c1OC Cc1cc(C)n(n1)[*:1] COc1ccc(C[NH+]2CCC(CC2)C[*:1])c(Cl)c1OC
COc1ccc(C[NH+]2CCC(Cn3nc(C)cc3C)CC2)c(Cl)c1OC Cc1cc(C)n(C[*:1])n1 COc1ccc(C[NH+]2CCC(CC2)[*:1])c(Cl)c1OC
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(N)=O)N1 c1ccc(cc1)[*:1] CC1NC(SCC(N)=O)=C(C#N)[C@@H](C=1C(=O)N[*:1])c1ccncc1
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(N)=O)N1 NC(=O)C[*:1] CC1NC(S[*:1])=C(C#N)[C@@H](C=1C(=O)Nc1ccccc1)c1ccncc1
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(N)=O)N1 O=C(Nc1ccccc1)[*:1] CC1NC(SCC(N)=O)=C(C#N)[C@@H](C=1[*:1])c1ccncc1
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(N)=O)N1 NC(=O)CS[*:1] CC1NC(=C(C#N)[C@@H](C=1C(=O)Nc1ccccc1)c1ccncc1)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(N)=O)N1 NC(=O)[*:1] CC1NC(SC[*:1])=C(C#N)[C@@H](C=1C(=O)Nc1ccccc1)c1ccncc1
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(N)=O)N1 c1cc(ccn1)[*:1] CC1NC(SCC(N)=O)=C(C#N)[C@H](C=1C(=O)Nc1ccccc1)[*:1]
Cc1cc(S(=O)(=O)[C@@H](CNC(=O)C(C)(C)C)c2cccnc2)ccc1F CC(C)(C)C(=O)NC[*:1] Cc1cc(ccc1F)S(=O)(=O)[C@@H](c1cccnc1)[*:1]
Cc1cc(S(=O)(=O)[C@@H](CNC(=O)C(C)(C)C)c2cccnc2)ccc1F CC(C)(C)[*:1] Cc1cc(ccc1F)S(=O)(=O)[C@@H](CNC(=O)[*:1])c1cccnc1
Cc1cc(S(=O)(=O)[C@@H](CNC(=O)C(C)(C)C)c2cccnc2)ccc1F Cc1cc(ccc1F)[*:1] CC(C)(C)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)[*:1]
Cc1cc(S(=O)(=O)[C@@H](CNC(=O)C(C)(C)C)c2cccnc2)ccc1F c1cncc(c1)[*:1] Cc1cc(ccc1F)S(=O)(=O)[C@@H](CNC(=O)C(C)(C)C)[*:1]
Cc1cc(S(=O)(=O)[C@@H](CNC(=O)C(C)(C)C)c2cccnc2)ccc1F CC(C)(C)C(=O)N[*:1] Cc1cc(ccc1F)S(=O)(=O)[C@@H](C[*:1])c1cccnc1
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)CCc2nc(-c3ccco3)no2)C1 c1coc(c1)[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)NC(=O)CCc1nc(no1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)CCc2nc(-c3ccco3)no2)C1 CS(=O)(=O)[*:1] O=C(CCc1nc(no1)-c1ccco1)N[C@H]1CCC[C@H](C1)[*:1]
Cc1cc(C)c(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3cccnc32)c(C)c1 CC(C)C[*:1] Cc1cc(C)c(NC(=O)Cn2c(=O)n(C[*:1])c(=O)c3cccnc32)c(C)c1
Cc1cc(C)c(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3cccnc32)c(C)c1 CC(C)[*:1] Cc1cc(C)c(NC(=O)Cn2c(=O)n(CC[*:1])c(=O)c3cccnc32)c(C)c1
Cc1cc(C)c(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3cccnc32)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CC(C)CCn1c(=O)c2cccnc2n(CC(=O)N[*:1])c1=O
Cc1cc(C)c(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3cccnc32)c(C)c1 CC(C)CC[*:1] Cc1cc(C)c(NC(=O)Cn2c(=O)n(c(=O)c3cccnc32)[*:1])c(C)c1
CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CCNC(=O)C1 CC[S@](=O)[*:1] O=C1CN(CCN1)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
Cn1cc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(C)(C)C)n1 O=[N+]([O-])[*:1] Cn1cc(/C=C/C(=O)c2ccc(Cl)c(c2)[*:1])c(n1)C(C)(C)C
Cn1cc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(/C=C/C(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])c(n1)[*:1]
COC(=O)c1c(C)sc(-c2c(-c3ccc(OC)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1[O-] COC(=O)[*:1] COc1ccc(cc1)-c1[nH]c2c(c1-c1sc(C)c(c1[O-])[*:1])c(=O)[nH]c(=O)n2C
COC(=O)c1c(C)sc(-c2c(-c3ccc(OC)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1[O-] COc1ccc(cc1)[*:1] COC(=O)c1c(C)sc(c1[O-])-c1c([nH]c2c1c(=O)[nH]c(=O)n2C)[*:1]
COc1ccc(CN(CC2CC2)CC(F)(F)F)cc1F C1CC1C[*:1] COc1ccc(cc1F)CN(CC(F)(F)F)[*:1]
COc1ccc(CN(CC2CC2)CC(F)(F)F)cc1F C1CC1[*:1] COc1ccc(cc1F)CN(CC(F)(F)F)C[*:1]
COc1ccc(CN(CC2CC2)CC(F)(F)F)cc1F FC(F)(F)[*:1] COc1ccc(cc1F)CN(CC1CC1)C[*:1]
COc1ccc(CN(CC2CC2)CC(F)(F)F)cc1F FC(F)(F)C[*:1] COc1ccc(cc1F)CN(CC1CC1)[*:1]
O=C(CCc1cccs1)NCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O c1csc(c1)C[*:1] O=C(C[*:1])NCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O
O=C(CCc1cccs1)NCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O c1csc(c1)[*:1] O=C(CC[*:1])NCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O
O=C(CCc1cccs1)NCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O c1csc(c1)CC[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCCNC(=O)[*:1]
CC(=O)Nc1cccc(-c2cc(F)ccc2C(=O)[O-])c1 O=C([O-])[*:1] CC(=O)Nc1cccc(c1)-c1cc(F)ccc1[*:1]
CC(=O)Nc1cccc(-c2cc(F)ccc2C(=O)[O-])c1 CC(=O)N[*:1] O=C([O-])c1ccc(F)cc1-c1cccc(c1)[*:1]
CN1CC(=O)N(CCCCCBr)CC1=O BrCC[*:1] CN1CC(=O)N(CCC[*:1])CC1=O
CN1CC(=O)N(CCCCCBr)CC1=O BrCCCC[*:1] CN1CC(=O)N(CC1=O)C[*:1]
CN1CC(=O)N(CCCCCBr)CC1=O BrCCC[*:1] CN1CC(=O)N(CC[*:1])CC1=O
CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)[C@@H](C#N)C(=O)N2 CC[C@H]1CCCCN1[*:1] Cc1ccc(cc1)[C@@H]1c2c(nc([nH]c2=O)[*:1])NC(=O)[C@@H]1C#N
CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)[C@@H](C#N)C(=O)N2 Cc1ccc(cc1)[*:1] CC[C@H]1CCCCN1c1nc2NC(=O)[C@H](C#N)[C@H](c2c(=O)[nH]1)[*:1]
Cc1ccc([C@H](C)NC(=O)NC[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)[C@H](C)NC(=O)NC[C@@H](c1ccccc1)[*:1]
Cc1ccc([C@H](C)NC(=O)NC[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](C)NC(=O)NC[C@@H](C(=O)N1CCOCC1)[*:1]
Cc1ccc([C@H](C)NC(=O)NC[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)[*:1]
Cc1ccc([C@H](C)NC(=O)NC[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 Cc1ccc(cc1)[C@H](C)[*:1] O=C(NC[C@@H](C(=O)N1CCOCC1)c1ccccc1)N[*:1]
CCN[C@]1(C#N)CC[C@H](Oc2ccc3c(c2)CCC3)C1 CCN[*:1] N#C[C@@]1(CC[C@@H](C1)Oc1ccc2CCCc2c1)[*:1]
CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN=C1c1ccccc1 CC(C)[*:1] CCCOc1cc(C)c(cc1S(=O)(=O)N1CCN=C1c1ccccc1)[*:1]
CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN=C1c1ccccc1 c1ccc(cc1)[*:1] CCCOc1cc(C)c(cc1S(=O)(=O)N1CCN=C1[*:1])C(C)C
CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN=C1c1ccccc1 CCCO[*:1] Cc1cc(c(cc1C(C)C)S(=O)(=O)N1CCN=C1c1ccccc1)[*:1]
CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN=C1c1ccccc1 CCC[*:1] Cc1cc(O[*:1])c(cc1C(C)C)S(=O)(=O)N1CCN=C1c1ccccc1
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCNC(=O)OCC(F)(F)F)C1 Cc1ccccc1[*:1] C[C@@H]1C[C@H](CN1C(=O)CCNC(=O)OCC(F)(F)F)[*:1]
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCNC(=O)OCC(F)(F)F)C1 FC(F)(F)[*:1] Cc1ccccc1[C@@H]1C[C@@H](C)N(C1)C(=O)CCNC(=O)OC[*:1]
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCNC(=O)OCC(F)(F)F)C1 FC(F)(F)C[*:1] Cc1ccccc1[C@@H]1C[C@@H](C)N(C1)C(=O)CCNC(=O)O[*:1]
N#Cc1ccc(Cl)cc1NC(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O O=C([O-])[*:1] N#Cc1ccc(Cl)cc1NC(=O)Cn1nc(c2ccccc2c1=O)[*:1]
N#Cc1ccc(Cl)cc1NC(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O N#Cc1ccc(Cl)cc1[*:1] O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)N[*:1]
COc1c(C)cnc(C[NH2+][C@@H](CCl)C(C)C)c1C CC(C)[*:1] COc1c(C)cnc(C[NH2+][C@@H](CCl)[*:1])c1C
COc1ccccc1S(=O)(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 COc1ccccc1[*:1] C[C@@H]1CN(C[C@@H](O1)c1ccccc1)S(=O)(=O)[*:1]
COc1ccccc1S(=O)(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 c1ccc(cc1)[*:1] COc1ccccc1S(=O)(=O)N1C[C@H](O[C@H](C)C1)[*:1]
COC(=O)[C@H](C)[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccccc1 COC(=O)[C@H](C)[*:1] C[C@@H](C(=O)N[C@H](c1ccccc1)[*:1])[NH+](C)C
COC(=O)[C@H](C)[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)[C@H](NC(=O)[C@H](C)[NH+](C)C)[*:1]
COC(=O)[C@H](C)[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccccc1 COC(=O)[*:1] C[C@@H](C(=O)N[C@H](c1ccccc1)[C@@H](C)[*:1])[NH+](C)C
O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1c(F)cccc1F c1ccc(cc1)C[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1c(F)cccc1F
O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(CN1CCN(CC1)S(=O)(=O)Cc1ccccc1)N[*:1]
O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1c(F)cccc1F c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)C[*:1])Nc1c(F)cccc1F
Cc1nn(CCCN=C=S)cc1Cl S=C=NC[*:1] Cc1nn(cc1Cl)CC[*:1]
Cc1nn(CCCN=C=S)cc1Cl S=C=N[*:1] Cc1nn(cc1Cl)CCC[*:1]
N#C/C(=C\Nc1ccc(C(F)(F)F)cc1Cl)C(=O)c1ccsc1 FC(F)(F)[*:1] N#C/C(=C\Nc1ccc(cc1Cl)[*:1])C(=O)c1ccsc1
N#C/C(=C\Nc1ccc(C(F)(F)F)cc1Cl)C(=O)c1ccsc1 c1cc(cs1)[*:1] N#C/C(=C\Nc1ccc(cc1Cl)C(F)(F)F)C(=O)[*:1]
N#C/C(=C\Nc1ccc(C(F)(F)F)cc1Cl)C(=O)c1ccsc1 O=C(c1ccsc1)[*:1] N#CC(=CNc1ccc(cc1Cl)C(F)(F)F)[*:1]
CC[NH+](Cc1ccc(OC)c(O)c1)Cc1ccccn1 c1ccc(nc1)[*:1] CC[NH+](Cc1ccc(OC)c(O)c1)C[*:1]
C[C@@](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)(C(=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@@](CC(=O)Nc1ccc(cc1)NC(=O)c1ccco1)(C(=O)[O-])[*:1]
C[C@@](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)(C(=O)[O-])c1ccccc1 O=C([O-])[*:1] C[C@@](CC(=O)Nc1ccc(cc1)NC(=O)c1ccco1)(c1ccccc1)[*:1]
C[C@@](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)(C(=O)[O-])c1ccccc1 O=C(N[*:1])c1ccco1 C[C@@](CC(=O)Nc1ccc(cc1)[*:1])(C(=O)[O-])c1ccccc1
C[C@@](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)(C(=O)[O-])c1ccccc1 c1coc(c1)[*:1] C[C@@](CC(=O)Nc1ccc(cc1)NC(=O)[*:1])(C(=O)[O-])c1ccccc1
COc1ccc(CN2C(=O)CO[C@H]3CN(Cc4[nH]cc[nH+]4)C[C@H]32)cc1 COc1ccc(cc1)[*:1] O=C1CO[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@H]2N1C[*:1]
C[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] C[C@H]1CCCC[C@H]1NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccccc1[C@H](CC)NC(=O)Cn1cc(Cl)cn1 Clc1cnn(c1)C[*:1] CCOc1ccccc1[C@H](CC)NC(=O)[*:1]
CCOc1ccccc1[C@H](CC)NC(=O)Cn1cc(Cl)cn1 CCO[*:1] CC[C@H](NC(=O)Cn1cc(Cl)cn1)c1ccccc1[*:1]
CCOc1ccccc1[C@H](CC)NC(=O)Cn1cc(Cl)cn1 Clc1cnn(c1)[*:1] CCOc1ccccc1[C@H](CC)NC(=O)C[*:1]
COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)CC(C)C)c1C CC(C)C[*:1] COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)[*:1])c1C
COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)CC(C)C)c1C COC(=O)[*:1] Cc1c(cccc1C(=O)Nc1ccccc1[*:1])NC(=O)CC(C)C
COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)CC(C)C)c1C CC(C)CC(=O)N[*:1] COC(=O)c1ccccc1NC(=O)c1cccc(c1C)[*:1]
COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)CC(C)C)c1C CC(C)[*:1] COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)C[*:1])c1C
CCOCCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C)CC1 CCOC[*:1] Cn1c(Cn2cncn2)nnc1C1CCN(CC1)C(=O)C[*:1]
CCOCCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C)CC1 c1ncn(n1)[*:1] CCOCCC(=O)N1CCC(CC1)c1nnc(C[*:1])n1C
CCOCCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C)CC1 CCO[*:1] Cn1c(Cn2cncn2)nnc1C1CCN(CC1)C(=O)CC[*:1]
CCOCCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C)CC1 CCOCC[*:1] Cn1c(Cn2cncn2)nnc1C1CCN(CC1)C(=O)[*:1]
CCOCCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C)CC1 c1ncn(C[*:1])n1 CCOCCC(=O)N1CCC(CC1)c1nnc(n1C)[*:1]
O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(NCc1ccc(cc1)-c1ccc2OCCc2c1)N[*:1]
O=C(NCc1ccccc1F)c1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCc1ccccc1F)c1ccc(Cl)cc1[*:1]
O=C(NCc1ccccc1F)c1ccc(Cl)cc1[N+](=O)[O-] Fc1ccccc1[*:1] O=C(NC[*:1])c1ccc(Cl)cc1[N+](=O)[O-]
Cc1cc(C)c(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)o1 Fc1ccccc1[*:1] Cc1cc(C)c(o1)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1cc(C)c(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)o1 Cc1cc(C)c(o1)[*:1] O=C(N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(C)c(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)o1 Fc1ccccc1C[*:1] Cc1cc(C)c(o1)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] CCNS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 CCNS(=O)(=O)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc([C@H](C)NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] CCC(CC)C(=O)N1CCC(CC1)NC(=O)Nc1cc(Cl)ccc1[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 CCC(CC)[*:1] O=C(Nc1cc(Cl)ccc1N1CCOCC1)NC1CCN(CC1)C(=O)[*:1]
CNS(=O)(=O)c1ccc(S[C@H](C)c2ccccc2F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNS(=O)(=O)c1ccc(S[C@H](C)c2ccccc2F)c(c1)[*:1]
CNS(=O)(=O)c1ccc(S[C@H](C)c2ccccc2F)c([N+](=O)[O-])c1 Fc1ccccc1[*:1] CNS(=O)(=O)c1ccc(S[C@H](C)[*:1])c(c1)[N+](=O)[O-]
CNS(=O)(=O)c1ccc(S[C@H](C)c2ccccc2F)c([N+](=O)[O-])c1 CNS(=O)(=O)[*:1] C[C@@H](Sc1ccc(cc1[N+](=O)[O-])[*:1])c1ccccc1F
Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2C#N)c1 N#Cc1ccccc1[*:1] Cc1cccc(c1)N(Cc1ccccc1)S(=O)(=O)[*:1]
Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2C#N)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N(C[*:1])S(=O)(=O)c1ccccc1C#N
Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2C#N)c1 Cc1cccc(c1)[*:1] N#Cc1ccccc1S(=O)(=O)N(Cc1ccccc1)[*:1]
Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2C#N)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)N(S(=O)(=O)c1ccccc1C#N)[*:1]
Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)NC(N)=O)c12 NC(=O)NC(=O)C[*:1] Cc1nn(-c2ccccc2)c2nc(cc(C(=O)O[*:1])c12)-c1ccccc1
Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)NC(N)=O)c12 NC(=O)NC(=O)[*:1] Cc1nn(-c2ccccc2)c2nc(cc(C(=O)OC[*:1])c12)-c1ccccc1
Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)NC(N)=O)c12 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c2nc(cc(C(=O)OCC(=O)NC(N)=O)c12)[*:1]
Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)NC(N)=O)c12 c1ccc(cc1)[*:1] Cc1nn(c2nc(cc(C(=O)OCC(=O)NC(N)=O)c12)-c1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)NC(N)=O)c12 NC(=O)NC(=O)COC(=O)[*:1] Cc1nn(-c2ccccc2)c2nc(cc(c12)[*:1])-c1ccccc1
COC(=O)c1cccc(C(=O)Nc2ccc(C)c(NC(C)=O)c2)c1 COC(=O)[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)c1cccc(c1)[*:1]
COC(=O)c1cccc(C(=O)Nc2ccc(C)c(NC(C)=O)c2)c1 CC(=O)N[*:1] COC(=O)c1cccc(c1)C(=O)Nc1ccc(C)c(c1)[*:1]
COc1ccccc1[C@@H](Nc1nnc(C)s1)c1ccccn1 Cc1nnc(s1)[*:1] COc1ccccc1[C@@H](N[*:1])c1ccccn1
COc1ccccc1[C@@H](Nc1nnc(C)s1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](Nc1nnc(C)s1)[*:1]
COc1ccccc1[C@@H](Nc1nnc(C)s1)c1ccccn1 Cc1nnc(N[*:1])s1 COc1ccccc1[C@@H](c1ccccn1)[*:1]
O=C(C=C1CCSCC1)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 C1CCC(C1)[*:1] O=C(C=C1CCSCC1)N[C@@H](Cc1ccccc1)C(=O)O[*:1]
O=C(C=C1CCSCC1)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 O=C(OC1CCCC1)[*:1] O=C(C=C1CCSCC1)N[C@@H](Cc1ccccc1)[*:1]
O=C(C=C1CCSCC1)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 c1ccc(cc1)[*:1] O=C(C=C1CCSCC1)N[C@@H](C[*:1])C(=O)OC1CCCC1
O=C(C=C1CCSCC1)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 c1ccc(cc1)C[*:1] O=C(C=C1CCSCC1)N[C@@H](C(=O)OC1CCCC1)[*:1]
CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)nn1 CN(C)C(=O)C[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cn(nn1)[*:1]
CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)nn1 CN(C)C(=O)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)c1cn(C[*:1])nn1
CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(C)nc2C)C1 CCNS(=O)(=O)[*:1] Cc1ccc(C(=O)N2CC[C@H](C2)[*:1])c(C)n1
CCOC1CC[NH+](Cn2ncn(-c3ccccc3)c2=S)CC1 c1ccc(cc1)[*:1] CCOC1CC[NH+](CC1)Cn1ncn(c1=S)[*:1]
CCOC1CC[NH+](Cn2ncn(-c3ccccc3)c2=S)CC1 CCO[*:1] S=c1n(cnn1C[NH+]1CCC(CC1)[*:1])-c1ccccc1
O=C(Cc1csc(SCc2cccc(Cl)c2)n1)N1CCN(c2ncccn2)CC1 Clc1cccc(c1)[*:1] O=C(Cc1csc(n1)SC[*:1])N1CCN(CC1)c1ncccn1
O=C(Cc1csc(SCc2cccc(Cl)c2)n1)N1CCN(c2ncccn2)CC1 Clc1cccc(c1)CS[*:1] O=C(Cc1csc(n1)[*:1])N1CCN(CC1)c1ncccn1
O=C(Cc1csc(SCc2cccc(Cl)c2)n1)N1CCN(c2ncccn2)CC1 Clc1cccc(c1)C[*:1] O=C(Cc1csc(n1)S[*:1])N1CCN(CC1)c1ncccn1
O=C(Cc1csc(SCc2cccc(Cl)c2)n1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(Cc1csc(n1)SCc1cccc(Cl)c1)N1CCN(CC1)[*:1]
CCOCc1ccc(NC(=O)N2CCNC(=O)[C@@H]2C(C)C)cc1 CCO[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccc(cc1)C[*:1]
CCOCc1ccc(NC(=O)N2CCNC(=O)[C@@H]2C(C)C)cc1 CCOC[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccc(cc1)[*:1]
CCOCc1ccc(NC(=O)N2CCNC(=O)[C@@H]2C(C)C)cc1 CC(C)[*:1] CCOCc1ccc(cc1)NC(=O)N1CCNC(=O)[C@H]1[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)ONC(=O)c1ccco1 c1coc(c1)[*:1] Cc1onc(c1C(=O)ONC(=O)[*:1])-c1c(F)cccc1Cl
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)ONC(=O)c1ccco1 Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)ONC(=O)c1ccco1)[*:1]
C[C@@H]1CCC[C@H](OCC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)C1 O=[N+]([O-])[*:1] C[C@@H]1CCC[C@@H](C1)OCC(=O)Nc1n[nH]c2ccc(cc12)[*:1]
Cn1nccc1C1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 Cn1nccc1[*:1] c1csc(c1)-c1nc(co1)C[NH+]1CCC(CC1)[*:1]
Cn1nccc1C1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 c1csc(c1)[*:1] Cn1nccc1C1CC[NH+](CC1)Cc1coc(n1)[*:1]
C[C@H]1CC[C@@H](C(=O)O[C@H](C(F)(F)F)C(C)(C)c2ccccc2)O1 FC(F)(F)[*:1] C[C@H]1CC[C@H](O1)C(=O)O[C@H](C(C)(C)c1ccccc1)[*:1]
C[C@H]1CC[C@@H](C(=O)O[C@H](C(F)(F)F)C(C)(C)c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CC[C@H](O1)C(=O)O[C@H](C(F)(F)F)C(C)(C)[*:1]
O=C(Oc1ccc(NC(=O)c2ccco2)cc1)c1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] O=C(Nc1ccc(cc1)OC(=O)[*:1])c1ccco1
O=C(Oc1ccc(NC(=O)c2ccco2)cc1)c1ccnc(Cl)c1 O=C(N[*:1])c1ccco1 O=C(Oc1ccc(cc1)[*:1])c1ccnc(Cl)c1
O=C(Oc1ccc(NC(=O)c2ccco2)cc1)c1ccnc(Cl)c1 c1coc(c1)[*:1] O=C(Oc1ccc(cc1)NC(=O)[*:1])c1ccnc(Cl)c1
CCCC[NH+](C)CC(=O)Nc1cc(C)ccc1OC CCC[*:1] COc1ccc(C)cc1NC(=O)C[NH+](C)C[*:1]
CCCC[NH+](C)CC(=O)Nc1cc(C)ccc1OC CCCC[*:1] COc1ccc(C)cc1NC(=O)C[NH+](C)[*:1]
Cc1ccc2oc(/C([O-])=N/S(=O)(=O)C3CCCC3)cc2c1 C1CCC(C1)[*:1] Cc1ccc2oc(cc2c1)/C([O-])=N/S(=O)(=O)[*:1]
CS(=O)(=O)N1CCCn2nc(CNc3ncccn3)cc2C1 c1cnc(nc1)N[*:1] CS(=O)(=O)N1CCCn2nc(cc2C1)C[*:1]
CS(=O)(=O)N1CCCn2nc(CNc3ncccn3)cc2C1 c1cnc(nc1)[*:1] CS(=O)(=O)N1CCCn2nc(cc2C1)CN[*:1]
COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccco5)CC4)ncnc32)cc1 COc1ccc(cc1)[*:1] O=C(c1ccco1)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccco5)CC4)ncnc32)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-n1nnc2c(ncnc21)N1CCN(CC1)C(=O)[*:1]
CNC(=O)Cc1nc(C[NH+](C)CC(=O)Nc2c(C)cccc2C)cs1 CNC(=O)[*:1] Cc1cccc(C)c1NC(=O)C[NH+](C)Cc1csc(C[*:1])n1
CNC(=O)Cc1nc(C[NH+](C)CC(=O)Nc2c(C)cccc2C)cs1 CNC(=O)C[*:1] Cc1cccc(C)c1NC(=O)C[NH+](C)Cc1csc(n1)[*:1]
CNC(=O)Cc1nc(C[NH+](C)CC(=O)Nc2c(C)cccc2C)cs1 Cc1cccc(C)c1[*:1] CNC(=O)Cc1nc(cs1)C[NH+](C)CC(=O)N[*:1]
CCN1C[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)CC1=O Cc1ccc(cc1)O[*:1] CCN1C[C@@H](CC1=O)C(=O)Nc1cc(Cl)ccc1[*:1]
CCN1C[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)CC1=O Cc1ccc(cc1)[*:1] CCN1C[C@@H](CC1=O)C(=O)Nc1cc(Cl)ccc1O[*:1]
CC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 CC(=O)CS[*:1] O=c1c2-c(nc(n3CCCCCc23)[*:1])nn1-c1ccccc1
CC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 CC(=O)C[*:1] O=c1c2-c(nc(S[*:1])n3CCCCCc23)nn1-c1ccccc1
CC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 CC(=O)[*:1] O=c1c2-c(nc(SC[*:1])n3CCCCCc23)nn1-c1ccccc1
CC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 c1ccc(cc1)[*:1] CC(=O)CSc1nc2nn(c(=O)c-2c2CCCCCn12)[*:1]
C[C@@H]1C[C@@H](NC(=O)CCCn2ccnn2)C(=O)N1c1ccccc1 c1cn(nn1)[*:1] C[C@@H]1C[C@@H](NC(=O)CCC[*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@@H](NC(=O)CCCn2ccnn2)C(=O)N1c1ccccc1 c1cn(C[*:1])nn1 C[C@@H]1C[C@@H](NC(=O)CC[*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@@H](NC(=O)CCCn2ccnn2)C(=O)N1c1ccccc1 c1cn(CCC[*:1])nn1 C[C@@H]1C[C@@H](NC(=O)[*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@@H](NC(=O)CCCn2ccnn2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](NC(=O)CCCn2ccnn2)C(=O)N1[*:1]
C[C@@H]1C[C@@H](NC(=O)CCCn2ccnn2)C(=O)N1c1ccccc1 c1cn(CC[*:1])nn1 C[C@@H]1C[C@@H](NC(=O)C[*:1])C(=O)N1c1ccccc1
CN(Cc1nccs1)C(=O)c1cccc2c1OCO2 c1csc(C[*:1])n1 CN(C(=O)c1cccc2OCOc21)[*:1]
CN(Cc1nccs1)C(=O)c1cccc2c1OCO2 c1csc(n1)[*:1] CN(C[*:1])C(=O)c1cccc2OCOc21
O=C(c1cccnc1SC/C=C/c1ccccc1)N1CC=CC1 c1ccc(cc1)[*:1] O=C(c1cccnc1SCC=C[*:1])N1CC=CC1
CC(=O)N[C@@H](C)C(=O)Nc1ccc(C)cc1C(=O)[O-] CC(=O)N[C@@H](C)[*:1] Cc1ccc(NC(=O)[*:1])c(c1)C(=O)[O-]
CC(=O)N[C@@H](C)C(=O)Nc1ccc(C)cc1C(=O)[O-] CC(=O)N[*:1] Cc1ccc(NC(=O)[C@H](C)[*:1])c(c1)C(=O)[O-]
CC(=O)N[C@@H](C)C(=O)Nc1ccc(C)cc1C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H](C)C(=O)Nc1ccc(C)cc1[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(CO)c3)c2)c1 OCc1cccc(c1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(CO)c3)c2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Nc1cccc(c1)CO)c1cccc(c1)NS(=O)(=O)[*:1]
COc1ccccc1C[NH+]1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 O=C(NC1CCCC1)[*:1] COc1ccccc1C[NH+]1CCC(CC1)Oc1ccc(cc1Cl)[*:1]
COc1ccccc1C[NH+]1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 C1CCC(C1)[*:1] COc1ccccc1C[NH+]1CCC(CC1)Oc1ccc(cc1Cl)C(=O)N[*:1]
COc1ccccc1C[NH+]1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 COc1ccccc1[*:1] O=C(NC1CCCC1)c1ccc(OC2CC[NH+](CC2)C[*:1])c(Cl)c1
COc1ccccc1C[NH+]1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 COc1ccccc1C[*:1] O=C(NC1CCCC1)c1ccc(OC2CC[NH+](CC2)[*:1])c(Cl)c1
CCN(CC)c1ncnc2sc(C)cc12 CCN(CC)[*:1] Cc1cc2c(ncnc2s1)[*:1]
CC(C)[C@@H](CO)NC(=O)Cc1ccccc1[N+](=O)[O-] CC(C)[*:1] O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](CO)[*:1]
CC(C)[C@@H](CO)NC(=O)Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)[C@@H](CO)NC(=O)Cc1ccccc1[*:1]
CC(C)[C@@H](CO)NC(=O)Cc1ccccc1[N+](=O)[O-] CC(C)[C@@H](CO)[*:1] O=C(Cc1ccccc1[N+](=O)[O-])N[*:1]
CCNC(=[NH2+])[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] CCNC(=[NH2+])[C@@H]1CN(CCO1)[*:1]
Cc1ccc(CNC(=O)NC[C@@H](C)C[C@@H](C)O)s1 C[C@@H](O)[*:1] Cc1ccc(CNC(=O)NC[C@@H](C)C[*:1])s1
Cc1ccc(CNC(=O)NC[C@@H](C)C[C@@H](C)O)s1 Cc1ccc(s1)[*:1] C[C@H](CNC(=O)NC[*:1])C[C@@H](C)O
Cc1ccc(CNC(=O)NC[C@@H](C)C[C@@H](C)O)s1 C[C@@H](O)C[*:1] Cc1ccc(CNC(=O)NC[C@@H](C)[*:1])s1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NC1CCCCC1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1ccccc1C(=O)NC1CCCCC1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1C(=O)N[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NC1CCCCC1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)[*:1])Nc1ccccc1C(=O)NC1CCCCC1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1[*:1]
O=[N+]([O-])c1cnn(-c2nc(C3CC3)ns2)c1 C1CC1[*:1] O=[N+]([O-])c1cnn(c1)-c1nc(ns1)[*:1]
O=[N+]([O-])c1cnn(-c2nc(C3CC3)ns2)c1 O=[N+]([O-])[*:1] c1nn(cc1[*:1])-c1nc(ns1)C1CC1
Cc1cc(CC(=O)N(C)[C@H](C)c2cccnc2)no1 c1cncc(c1)[*:1] Cc1cc(CC(=O)N(C)[C@H](C)[*:1])no1
Cc1cc(CC(=O)N(C)[C@H](C)c2cccnc2)no1 Cc1cc(no1)[*:1] C[C@H](c1cccnc1)N(C)C(=O)C[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)NCC1(CC)CC1 CCC[*:1] CCC1(CC1)CNC(=O)N[C@H]1C[C@H]1[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)NCC1(CC)CC1 CCC1(CC1)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)NC[*:1]
Cc1c(Br)cccc1C[S@](=O)Cc1noc(C2CC2)n1 C1CC1[*:1] Cc1c(Br)cccc1C[S@](=O)Cc1noc(n1)[*:1]
O=C(Cl)Cc1ccc2c(c1)OCO2 O=C(Cl)C[*:1] c1cc2OCOc2cc1[*:1]
O=C(Cl)Cc1ccc2c(c1)OCO2 O=C(Cl)[*:1] c1cc2OCOc2cc1C[*:1]
CC(=O)C[C@H]1CCCN1C(=O)c1ccc(Br)cc1Cl CC(=O)C[*:1] O=C(c1ccc(Br)cc1Cl)N1CCC[C@@H]1[*:1]
CC(=O)C[C@H]1CCCN1C(=O)c1ccc(Br)cc1Cl CC(=O)[*:1] O=C(c1ccc(Br)cc1Cl)N1CCC[C@@H]1C[*:1]
COCCOCCn1cc(I)c(=O)[nH]c1=O COCC[*:1] O=c1[nH]c(=O)n(cc1I)CCO[*:1]
COCCOCCn1cc(I)c(=O)[nH]c1=O COCCO[*:1] O=c1[nH]c(=O)n(cc1I)CC[*:1]
COCCOCCn1cc(I)c(=O)[nH]c1=O COC[*:1] O=c1[nH]c(=O)n(cc1I)CCOC[*:1]
O=C(NCc1ccco1)[C@H]1CCCN1C(=O)CCSc1ccc(F)cc1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN1C(=O)CCSc1ccc(F)cc1
O=C(NCc1ccco1)[C@H]1CCCN1C(=O)CCSc1ccc(F)cc1 Fc1ccc(cc1)S[*:1] O=C(NCc1ccco1)[C@H]1CCCN1C(=O)CC[*:1]
O=C(NCc1ccco1)[C@H]1CCCN1C(=O)CCSc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCc1ccco1)[C@H]1CCCN1C(=O)CCS[*:1]
O=C(NCc1ccco1)[C@H]1CCCN1C(=O)CCSc1ccc(F)cc1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)CCSc1ccc(F)cc1
COC(=O)c1ccccc1CN1CCO[C@H]2CC[C@@H](OC)C[C@H]21 COC(=O)[*:1] CO[C@@H]1CC[C@@H]2OCCN(Cc3ccccc3[*:1])[C@@H]2C1
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(c1)[*:1]
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(N2CCOC2=O)c1 CC(C)C[*:1] O=C(N[C@@H]1CCCC[C@H]1OC[*:1])c1cccc(c1)N1CCOC1=O
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(N2CCOC2=O)c1 CC(C)CC[*:1] O=C(N[C@@H]1CCCC[C@H]1O[*:1])c1cccc(c1)N1CCOC1=O
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(N2CCOC2=O)c1 CC(C)[*:1] O=C(N[C@@H]1CCCC[C@H]1OCC[*:1])c1cccc(c1)N1CCOC1=O
CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(N2CCOC2=O)c1 CC(C)CCO[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])c1cccc(c1)N1CCOC1=O
CC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1C Clc1ccccc1[*:1] CC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(s2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)Nc2nnc(s2)-c2ccccc2Cl)c(C)c1[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Sc3nncn3C)cc2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(cc1)Sc1nncn1C
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Sc3nncn3C)cc2)c1 Cn1cnnc1S[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Sc3nncn3C)cc2)c1 Cn1cnnc1[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1ccc(cc1)S[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Sc3nncn3C)cc2)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)Nc1ccc(cc1)Sc1nncn1C)[*:1]
Cc1nn(-c2nc3ccccc3o2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 O=C([O-])c1ccc(cc1)[*:1] Cc1nn(-c2nc3ccccc3o2)c2NC(=O)C[C@@H](c12)[*:1]
Cc1nn(-c2nc3ccccc3o2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 c1ccc2oc(nc2c1)[*:1] Cc1nn(c2NC(=O)C[C@@H](c3ccc(cc3)C(=O)[O-])c12)[*:1]
Cc1nn(-c2nc3ccccc3o2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 O=C([O-])[*:1] Cc1nn(-c2nc3ccccc3o2)c2NC(=O)C[C@@H](c3ccc(cc3)[*:1])c12
Cc1nc(CNC(=O)c2ccc(OCC(N)=O)cc2)c(C)s1 NC(=O)[*:1] Cc1nc(CNC(=O)c2ccc(cc2)OC[*:1])c(C)s1
Cc1nc(CNC(=O)c2ccc(OCC(N)=O)cc2)c(C)s1 Cc1nc(c(C)s1)[*:1] NC(=O)COc1ccc(cc1)C(=O)NC[*:1]
Cc1nc(CNC(=O)c2ccc(OCC(N)=O)cc2)c(C)s1 NC(=O)C[*:1] Cc1nc(CNC(=O)c2ccc(cc2)O[*:1])c(C)s1
Cc1nc(CNC(=O)c2ccc(OCC(N)=O)cc2)c(C)s1 NC(=O)CO[*:1] Cc1nc(CNC(=O)c2ccc(cc2)[*:1])c(C)s1
CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F
O=C(CC[C@@H]1CCCO1)OCc1nc(-c2ccccc2)no1 C1CO[C@@H](C1)C[*:1] O=C(C[*:1])OCc1nc(no1)-c1ccccc1
O=C(CC[C@@H]1CCCO1)OCc1nc(-c2ccccc2)no1 C1CO[C@@H](C1)[*:1] O=C(CC[*:1])OCc1nc(no1)-c1ccccc1
O=C(CC[C@@H]1CCCO1)OCc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(CC[C@@H]1CCCO1)OCc1nc(no1)[*:1]
CNC(=O)CN(C)C(=O)CCCc1cc(F)ccc1F CNC(=O)C[*:1] CN(C(=O)CCCc1cc(F)ccc1F)[*:1]
CNC(=O)CN(C)C(=O)CCCc1cc(F)ccc1F CNC(=O)[*:1] CN(C[*:1])C(=O)CCCc1cc(F)ccc1F
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1[*:1]
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F CC(=O)[*:1] CC1OC(N)=C(C#N)[C@@H](C=1[*:1])c1ccccc1C(F)(F)F
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 O=S(=O)(N1CCCCC1)[*:1] CCOc1ccc(cc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)[*:1]
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 CCO[*:1] C[C@@]12CCC(=O)N1[C@H](CS2)C(=O)Nc1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1
CC1(C)CC(=O)C2=C(C1)NC1=NC(=O)NC(=O)[C@@H]1[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 Clc1ccc(Cl)c(c1)[*:1] CC1(C)CC(=O)C2=C(C1)NC1=NC(=O)NC(=O)[C@@H]1[C@H]2c1ccc(o1)[*:1]
CCc1c(C)sc2nc(SCCCC#N)n(C[C@@H]3CCCO3)c(=O)c12 C1CO[C@@H](C1)[*:1] CCc1c(C)sc2nc(SCCCC#N)n(C[*:1])c(=O)c12
CCc1c(C)sc2nc(SCCCC#N)n(C[C@@H]3CCCO3)c(=O)c12 C1CO[C@@H](C1)C[*:1] CCc1c(C)sc2nc(SCCCC#N)n(c(=O)c12)[*:1]
CCc1c(C)sc2nc(SCCCC#N)n(C[C@@H]3CCCO3)c(=O)c12 N#CCCCS[*:1] CCc1c(C)sc2nc(n(C[C@@H]3CCCO3)c(=O)c12)[*:1]
CCc1c(C)sc2nc(SCCCC#N)n(C[C@@H]3CCCO3)c(=O)c12 N#CCC[*:1] CCc1c(C)sc2nc(SC[*:1])n(C[C@@H]3CCCO3)c(=O)c12
CCc1c(C)sc2nc(SCCCC#N)n(C[C@@H]3CCCO3)c(=O)c12 N#CC[*:1] CCc1c(C)sc2nc(SCC[*:1])n(C[C@@H]3CCCO3)c(=O)c12
CCc1c(C)sc2nc(SCCCC#N)n(C[C@@H]3CCCO3)c(=O)c12 N#CCCC[*:1] CCc1c(C)sc2nc(S[*:1])n(C[C@@H]3CCCO3)c(=O)c12
CC(C)c1ccc(CS(=O)(=O)C[C@@H](C)CO)cc1 CC(C)[*:1] C[C@@H](CO)CS(=O)(=O)Cc1ccc(cc1)[*:1]
Cc1ccoc1[C@H](C)NCCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1ccoc1[C@H](C)NCCc1nc(no1)[*:1]
Cc1ccoc1[C@H](C)NCCc1nc(-c2ccc(Cl)cc2)no1 Cc1ccoc1[*:1] C[C@H](NCCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
COc1ccc(/C=C/C(=O)c2cccc(F)c2)c(OC)c1 Fc1cccc(c1)[*:1] COc1ccc(/C=C/C(=O)[*:1])c(c1)OC
CCc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C[C@@H]2CCCO2)c1 CCc1cccc(c1)NC(=O)[*:1] O=c1c2oc3ccccc3c2nc(SC[*:1])n1C[C@@H]1CCCO1
CCc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C[C@@H]2CCCO2)c1 CCc1cccc(c1)[*:1] O=C(CSc1nc2c(oc3ccccc32)c(=O)n1C[C@@H]1CCCO1)N[*:1]
Cc1noc(C)c1CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)CC1 Cc1noc(C)c1[*:1] O=C(c1ccc(o1)S(=O)(=O)N1CCCCC1)N1CCN(CC1)C[*:1]
Cc1noc(C)c1CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)CC1 Cc1noc(C)c1C[*:1] O=C(c1ccc(o1)S(=O)(=O)N1CCCCC1)N1CCN(CC1)[*:1]
Cc1noc(C)c1CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)CC1 O=S(=O)(N1CCCCC1)[*:1] Cc1noc(C)c1CN1CCN(CC1)C(=O)c1ccc(o1)[*:1]
Cc1cc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[NH+](C)CCN1C[C@H](CC1=O)C(=O)NC[*:1]
C[C@@H](O)CCN(C)S(=O)(=O)c1ccccc1OC(F)(F)F C[C@@H](O)CC[*:1] CN(S(=O)(=O)c1ccccc1OC(F)(F)F)[*:1]
C[C@@H](O)CCN(C)S(=O)(=O)c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] C[C@@H](O)CCN(C)S(=O)(=O)c1ccccc1[*:1]
C[C@@H](O)CCN(C)S(=O)(=O)c1ccccc1OC(F)(F)F C[C@@H](O)[*:1] CN(CC[*:1])S(=O)(=O)c1ccccc1OC(F)(F)F
C[C@@H](O)CCN(C)S(=O)(=O)c1ccccc1OC(F)(F)F C[C@@H](O)C[*:1] CN(C[*:1])S(=O)(=O)c1ccccc1OC(F)(F)F
C[C@@H](O)CCN(C)S(=O)(=O)c1ccccc1OC(F)(F)F FC(F)(F)[*:1] C[C@@H](O)CCN(C)S(=O)(=O)c1ccccc1O[*:1]
COc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)cc1 O=C([O-])[*:1] COc1ccc(cc1)S(=O)(=O)N[C@H]1C=C[C@@H](C1)[*:1]
Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccn(C)n3)c2Cl)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)Nc1ccn(C)n1
Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccn(C)n3)c2Cl)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)Nc1ccn(C)n1)[*:1]
Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccn(C)n3)c2Cl)cc1 Cn1ccc(n1)[*:1] Cc1ccc(cc1)Cn1nc(C)c(C(=O)N[*:1])c1Cl
Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CCC[NH2+]C2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N(C)[C@H]1CCC[NH2+]C1)[*:1]
CCc1ccccc1OCC(=O)NCc1cscn1 c1nc(cs1)[*:1] CCc1ccccc1OCC(=O)NC[*:1]
CCc1ccccc1OCC(=O)NCc1cscn1 c1nc(cs1)C[*:1] CCc1ccccc1OCC(=O)N[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CN(CC(C)C)CCO2)C1 CC(C)C[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)NC[C@H]1CN(CCO1)[*:1]
CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CN(CC(C)C)CCO2)C1 CC(C)[*:1] CC[NH+](CC)[C@@H]1CCN(C1)C(=O)NC[C@H]1CN(CCO1)C[*:1]
Cc1ccc([C@H](C)NC(=O)CS(=O)(=O)CC(C)C)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)CS(=O)(=O)C[*:1]
Cc1ccc([C@H](C)NC(=O)CS(=O)(=O)CC(C)C)cc1F CC(C)CS(=O)(=O)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)C[*:1]
Cc1ccc([C@H](C)NC(=O)CS(=O)(=O)CC(C)C)cc1F CC(C)C[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)CS(=O)(=O)[*:1]
Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1F)[N-]S(=O)(=O)c1cc(F)ccc1[*:1]
CCOC(=O)c1cccc(N2CCCC[C@@H](SCC)C2)n1 CCS[*:1] CCOC(=O)c1cccc(n1)N1CCCC[C@@H](C1)[*:1]
CCOC(=O)c1cccc(N2CCCC[C@@H](SCC)C2)n1 CCOC(=O)[*:1] CCS[C@@H]1CCCCN(C1)c1cccc(n1)[*:1]
CCC[NH+]1CCN(Cc2nc3c(N)cccc3o2)CC1 CCC[*:1] Nc1cccc2oc(CN3CC[NH+](CC3)[*:1])nc12
CC(=O)N1CCCSc2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc21 c1cc2OCOc2cc1[*:1] CC(=O)N1CCCSc2ccc(cc21)S(=O)(=O)NC[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1CCN(C(=O)c2ccoc2)CC1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NCC1CCN(CC1)C(=O)c1ccoc1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])NCC1CCN(CC1)C(=O)[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1CCN(C(=O)c2ccoc2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C=C[*:1])NCC1CCN(CC1)C(=O)c1ccoc1
CC[C@@H](C)[C@@]1(O)CSCC(C)(C)C1 CC[C@@H](C)[*:1] CC1(C)CSC[C@](O)(C1)[*:1]
OC[C@]1([NH2+]C2CC2)CCC[C@H]1CCSc1cccc(Br)c1 C1CC1[*:1] OC[C@@]1(CCC[C@H]1CCSc1cccc(Br)c1)[NH2+][*:1]
OC[C@]1([NH2+]C2CC2)CCC[C@H]1CCSc1cccc(Br)c1 Brc1cccc(c1)[*:1] OC[C@@]1(CCC[C@H]1CCS[*:1])[NH2+]C1CC1
Cc1cccc(C(=O)N2CCN(CCn3cccn3)CC2)c1 Cc1cccc(c1)[*:1] O=C(N1CCN(CC1)CCn1cccn1)[*:1]
Cc1cccc(C(=O)N2CCN(CCn3cccn3)CC2)c1 c1cnn(c1)[*:1] Cc1cccc(c1)C(=O)N1CCN(CC1)CC[*:1]
Cc1cccc(C(=O)N2CCN(CCn3cccn3)CC2)c1 c1cnn(c1)C[*:1] Cc1cccc(c1)C(=O)N1CCN(CC1)C[*:1]
Cc1cccc(C(=O)N2CCN(CCn3cccn3)CC2)c1 c1cnn(c1)CC[*:1] Cc1cccc(c1)C(=O)N1CCN(CC1)[*:1]
CC(C)(C)c1ccc(CNC(=O)Cc2csc(-c3cccnc3)n2)cc1 CC(C)(C)[*:1] O=C(Cc1csc(n1)-c1cccnc1)NCc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(CNC(=O)Cc2csc(-c3cccnc3)n2)cc1 c1cncc(c1)[*:1] CC(C)(C)c1ccc(cc1)CNC(=O)Cc1csc(n1)[*:1]
CC(C)(C)c1csc(CNC(=O)N[C@H]2CCC[C@@H]2C(N)=O)n1 CC(C)(C)[*:1] NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1nc(cs1)[*:1]
CC(C)(C)c1csc(CNC(=O)N[C@H]2CCC[C@@H]2C(N)=O)n1 NC(=O)[*:1] CC(C)(C)c1csc(CNC(=O)N[C@H]2CCC[C@H]2[*:1])n1
C[C@@H]1C[C@@H]1CN(C)C(=O)c1ccncc1C#CCO OCC#C[*:1] C[C@@H]1C[C@@H]1CN(C)C(=O)c1ccncc1[*:1]
Cc1ccc(OCc2nccn2C(F)F)c(C)c1 FC(F)[*:1] Cc1ccc(OCc2nccn2[*:1])c(C)c1
CC(C)C[C@@H](CNc1ncc(C(=O)N2CCCCC2)cc1Cl)[NH+](C)C CC(C)[*:1] C[NH+](C)[C@H](CNc1ncc(cc1Cl)C(=O)N1CCCCC1)C[*:1]
CC(C)C[C@@H](CNc1ncc(C(=O)N2CCCCC2)cc1Cl)[NH+](C)C CC(C)C[*:1] C[NH+](C)[C@H](CNc1ncc(cc1Cl)C(=O)N1CCCCC1)[*:1]
CC(C)C[C@@H](CNc1ncc(C(=O)N2CCCCC2)cc1Cl)[NH+](C)C O=C(N1CCCCC1)[*:1] CC(C)C[C@@H](CNc1ncc(cc1Cl)[*:1])[NH+](C)C
Cc1c([C@H](C)OC(=O)Nc2ccccc2)sc2ncnn12 c1ccc(cc1)[*:1] Cc1c(sc2ncnn12)[C@H](C)OC(=O)N[*:1]
COC(=O)c1sc(-c2ccccc2Cl)cc1N COC(=O)[*:1] Nc1cc(sc1[*:1])-c1ccccc1Cl
CSc1cccc(NC(=O)Cc2c(C)nc(SCc3ccccc3)[nH]c2=O)c1 c1ccc(cc1)C[*:1] CSc1cccc(c1)NC(=O)Cc1c(C)nc([nH]c1=O)S[*:1]
CSc1cccc(NC(=O)Cc2c(C)nc(SCc3ccccc3)[nH]c2=O)c1 CSc1cccc(c1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)N[*:1])SCc1ccccc1
CSc1cccc(NC(=O)Cc2c(C)nc(SCc3ccccc3)[nH]c2=O)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)Cc1c(C)nc([nH]c1=O)SC[*:1]
CSc1cccc(NC(=O)Cc2c(C)nc(SCc3ccccc3)[nH]c2=O)c1 c1ccc(cc1)CS[*:1] CSc1cccc(c1)NC(=O)Cc1c(C)nc([nH]c1=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccnc2)C[C@@H]2C=c3ccccc3=[NH+]C2=O)cc1 c1cncc(c1)C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N(C[C@@H]1C=c2ccccc2=[NH+]C1=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccnc2)C[C@@H]2C=c3ccccc3=[NH+]C2=O)cc1 c1cncc(c1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N(C[C@@H]1C=c2ccccc2=[NH+]C1=O)C[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccnc2)C[C@@H]2C=c3ccccc3=[NH+]C2=O)cc1 CC(=O)N[*:1] O=C1[NH+]=c2ccccc2=C[C@H]1CN(Cc1cccnc1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccnc2)C[C@@H]2C=c3ccccc3=[NH+]C2=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C1[NH+]=c2ccccc2=C[C@H]1CN(Cc1cccnc1)S(=O)(=O)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H](Sc2ccccn2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](C1)Sc1ccccn1
CC(C)(C)OC(=O)N1CCC[C@@H](Sc2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)S[*:1]
C[C@H]1CN(C(=O)CC2CCC2)CC[C@H]1c1ccccc1 C1CC(C1)[*:1] C[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)C[*:1]
C[C@H]1CN(C(=O)CC2CCC2)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CN(CC[C@@H]1[*:1])C(=O)CC1CCC1
C[C@H]1CN(C(=O)CC2CCC2)CC[C@H]1c1ccccc1 C1CC(C1)C[*:1] C[C@H]1CN(CC[C@H]1c1ccccc1)C(=O)[*:1]
COc1ccc([C@@H]([NH2+]Cc2ccc(C)cc2OC)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H]([NH2+]Cc1ccc(C)cc1OC)[*:1]
CCO/C=C(/C#N)C(=O)NCc1ccnc(OC(C)(C)C)c1 CCOC=C(C#N)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)[*:1]
CCO/C=C(/C#N)C(=O)NCc1ccnc(OC(C)(C)C)c1 CCO[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)C(C#N)=C[*:1]
CCO/C=C(/C#N)C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CCO/C=C(/C#N)C(=O)NCc1ccnc(c1)O[*:1]
CCO/C=C(/C#N)C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CCO/C=C(/C#N)C(=O)NCc1ccnc(c1)[*:1]
CCOc1cc(OC)ccc1C(=O)CN1C(=O)c2ccccc2O[C@@H](C)C1=O CCO[*:1] COc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](C)C2=O)c(c1)[*:1]
C[C@@H]1c2ccc(F)cc2CCN1C(=O)NCCCC(C)(C)CO CC(C)(CO)CC[*:1] C[C@@H]1c2ccc(F)cc2CCN1C(=O)NC[*:1]
C[C@@H]1c2ccc(F)cc2CCN1C(=O)NCCCC(C)(C)CO CC(C)(CO)C[*:1] C[C@@H]1c2ccc(F)cc2CCN1C(=O)NCC[*:1]
C[C@@H]1c2ccc(F)cc2CCN1C(=O)NCCCC(C)(C)CO CC(C)(CO)[*:1] C[C@@H]1c2ccc(F)cc2CCN1C(=O)NCCC[*:1]
COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])NC(=O)c1ccc(Cl)c(Cl)c1
N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 c1cc(cs1)[*:1] N#CC1=C2N=C(N)c3c(sc4CCCCCc43)N2C2CCCC(=O)C=2[C@H]1[*:1]
O=C(CCc1cc(Cl)cs1)N[C@@H]1CCc2c(O)cccc21 Clc1csc(c1)[*:1] O=C(CC[*:1])N[C@@H]1CCc2c(O)cccc21
O=C(CCc1cc(Cl)cs1)N[C@@H]1CCc2c(O)cccc21 Clc1csc(c1)C[*:1] O=C(C[*:1])N[C@@H]1CCc2c(O)cccc21
COC(=O)CN1C(=O)C[C@@H](C(N)=O)S/C1=N\c1ccccc1 NC(=O)[*:1] COC(=O)CN1C(=O)C[C@@H](S/C1=N\c1ccccc1)[*:1]
COC(=O)CN1C(=O)C[C@@H](C(N)=O)S/C1=N\c1ccccc1 c1ccc(cc1)[*:1] COC(=O)CN1C(=O)C[C@H](SC1=N[*:1])C(N)=O
COC(=O)CN1C(=O)C[C@@H](C(N)=O)S/C1=N\c1ccccc1 COC(=O)C[*:1] NC(=O)[C@@H]1CC(=O)N(/C(=N/c2ccccc2)S1)[*:1]
COC(=O)CN1C(=O)C[C@@H](C(N)=O)S/C1=N\c1ccccc1 COC(=O)[*:1] NC(=O)[C@@H]1CC(=O)N(C[*:1])/C(=N/c2ccccc2)S1
CCCOc1ccc(CO)cc1-c1cnn(C)c1 CCCO[*:1] Cn1cc(cn1)-c1cc(ccc1[*:1])CO
CCCOc1ccc(CO)cc1-c1cnn(C)c1 CCC[*:1] Cn1cc(cn1)-c1cc(ccc1O[*:1])CO
CCCOc1ccc(CO)cc1-c1cnn(C)c1 Cn1cc(cn1)[*:1] CCCOc1ccc(cc1[*:1])CO
COc1ccc(NC(=O)[C@@H](C#N)Cc2c[nH]c3ncccc23)cc1 COc1ccc(cc1)[*:1] N#C[C@@H](Cc1c[nH]c2ncccc12)C(=O)N[*:1]
Cn1c(=O)[nH]c2cc(C(=O)Nc3ccc(Oc4cccnc4)nc3)ccc21 c1cncc(c1)[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)Nc1ccc(nc1)O[*:1]
Cn1c(=O)[nH]c2cc(C(=O)Nc3ccc(Oc4cccnc4)nc3)ccc21 c1cncc(c1)O[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)Nc1ccc(nc1)[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)NCCc1ccc(Cl)cc1 CC(C)C[*:1] [NH3+]C[C@@H](C(=O)NCCc1ccc(Cl)cc1)[*:1]
CC(C)C[C@@H](C[NH3+])C(=O)NCCc1ccc(Cl)cc1 CC(C)[*:1] [NH3+]C[C@H](C[*:1])C(=O)NCCc1ccc(Cl)cc1
CCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2[C@H]2CCCc3ccccc32)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1C(=O)N(CC(=O)N1[C@H]1CCCc2ccccc21)C1CCCCC1
CCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2[C@H]2CCCc3ccccc32)cc1OC CCOc1ccc(cc1OC)[*:1] O=C1[C@H](N(C(=O)CN1C1CCCCC1)[C@H]1CCCc2ccccc21)[*:1]
CCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2[C@H]2CCCc3ccccc32)cc1OC C1CCC(CC1)[*:1] CCOc1ccc(cc1OC)[C@@H]1C(=O)N(CC(=O)N1[C@H]1CCCc2ccccc21)[*:1]
CONC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 CONC(=O)N[*:1] C[C@H](c1ccc(cc1)OCC(F)(F)F)[*:1]
CONC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] CONC(=O)N[C@H](C)c1ccc(cc1)OC[*:1]
CONC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] CONC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CONC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] CONC(=O)N[C@H](C)c1ccc(cc1)O[*:1]
O=C(CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1)N1CCc2ccccc2C1 c1ccc2c(c1)nnn2[*:1] O=C(CSc1nnc(C[*:1])n1-c1ccccc1)N1CCc2ccccc2C1
O=C(CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1)N1CCc2ccccc2C1 c1ccc(cc1)[*:1] O=C(CSc1nnc(Cn2nnc3ccccc32)n1[*:1])N1CCc2ccccc2C1
O=C(CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1)N1CCc2ccccc2C1 c1ccc2c(c1)nnn2C[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])N1CCc2ccccc2C1
COCC/N=C1/NC(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S1 COCC[*:1] O=C(C[C@H]1SC(=N[*:1])NC1=O)Nc1cc(Cl)c(Cl)cc1Cl
COCC/N=C1/NC(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S1 COC[*:1] O=C(C[C@H]1S/C(=N\C[*:1])NC1=O)Nc1cc(Cl)c(Cl)cc1Cl
Cc1ccccc1NC(=O)C[NH+]1CCC(CC(=O)[O-])CC1 Cc1ccccc1[*:1] O=C([O-])CC1CC[NH+](CC1)CC(=O)N[*:1]
Cc1ccccc1NC(=O)C[NH+]1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] Cc1ccccc1NC(=O)C[NH+]1CCC(CC1)[*:1]
Cc1ccccc1NC(=O)C[NH+]1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] Cc1ccccc1NC(=O)C[NH+]1CCC(CC1)C[*:1]
CC[C@@H](C)NC(=O)NCc1ccc(CS(=O)(=O)NC)cc1 CNS(=O)(=O)[*:1] CC[C@@H](C)NC(=O)NCc1ccc(cc1)C[*:1]
CC[C@@H](C)NC(=O)NCc1ccc(CS(=O)(=O)NC)cc1 CNS(=O)(=O)C[*:1] CC[C@@H](C)NC(=O)NCc1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)NCc1ccc(CS(=O)(=O)NC)cc1 CC[C@@H](C)[*:1] CNS(=O)(=O)Cc1ccc(cc1)CNC(=O)N[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccncc2)o1 c1cc(ccn1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(o1)[*:1]
N#Cc1ccc(NC[C@@H]2CCCN(c3ncccn3)C2)c(C(F)(F)F)c1 c1cnc(nc1)[*:1] N#Cc1ccc(NC[C@@H]2CCCN(C2)[*:1])c(c1)C(F)(F)F
N#Cc1ccc(NC[C@@H]2CCCN(c3ncccn3)C2)c(C(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1ccc(NC[C@@H]2CCCN(C2)c2ncccn2)c(c1)[*:1]
COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1 COC(=O)[*:1] N#Cc1ccc(cc1)C(=O)Nc1cc(ccc1Cl)[*:1]
Cc1cccc(OC(=O)c2cccnc2N(C)C)c1C CN(C)[*:1] Cc1cccc(OC(=O)c2cccnc2[*:1])c1C
NC(=O)N[C@@H](CC(=O)Nc1cccc(-c2cn[nH]c2)c1)c1cccs1 c1csc(c1)[*:1] NC(=O)N[C@@H](CC(=O)Nc1cccc(c1)-c1cn[nH]c1)[*:1]
NC(=O)N[C@@H](CC(=O)Nc1cccc(-c2cn[nH]c2)c1)c1cccs1 NC(=O)N[*:1] O=C(C[C@@H](c1cccs1)[*:1])Nc1cccc(c1)-c1cn[nH]c1
NC(=O)N[C@@H](CC(=O)Nc1cccc(-c2cn[nH]c2)c1)c1cccs1 c1n[nH]cc1[*:1] NC(=O)N[C@@H](CC(=O)Nc1cccc(c1)[*:1])c1cccs1
O=C(COc1ccc2ccccc2c1Br)NCCNC(=O)c1ccccc1O Oc1ccccc1[*:1] O=C(COc1ccc2ccccc2c1Br)NCCNC(=O)[*:1]
CC(C)Oc1cccnc1C(=O)N[C@H](C)C(C)C CC(C)[*:1] CC(C)[C@@H](C)NC(=O)c1ncccc1O[*:1]
CC(C)Oc1cccnc1C(=O)N[C@H](C)C(C)C CC(C)[*:1] CC(C)Oc1cccnc1C(=O)N[C@H](C)[*:1]
CC(C)Oc1cccnc1C(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CC(C)Oc1cccnc1C(=O)N[*:1]
CC(C)Oc1cccnc1C(=O)N[C@H](C)C(C)C CC(C)O[*:1] CC(C)[C@@H](C)NC(=O)c1ncccc1[*:1]
Cc1cn2c(=O)cc(CSc3nc4ccc(NC(=O)c5ccco5)cc4s3)nc2s1 c1coc(c1)[*:1] Cc1cn2c(=O)cc(CSc3nc4ccc(cc4s3)NC(=O)[*:1])nc2s1
Cc1cn2c(=O)cc(CSc3nc4ccc(NC(=O)c5ccco5)cc4s3)nc2s1 O=C(N[*:1])c1ccco1 Cc1cn2c(=O)cc(CSc3nc4ccc(cc4s3)[*:1])nc2s1
C[C@](O)(CNC(=O)CCc1ccsc1)c1cccs1 c1csc(c1)[*:1] C[C@](O)(CNC(=O)CCc1ccsc1)[*:1]
C[C@](O)(CNC(=O)CCc1ccsc1)c1cccs1 c1cc(cs1)[*:1] C[C@](O)(CNC(=O)CC[*:1])c1cccs1
C[C@](O)(CNC(=O)CCc1ccsc1)c1cccs1 c1cc(cs1)C[*:1] C[C@](O)(CNC(=O)C[*:1])c1cccs1
CC[C@@H]1CN(c2cccc(C(=O)OC)n2)C[C@H](C)O1 COC(=O)[*:1] CC[C@@H]1CN(C[C@H](C)O1)c1cccc(n1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)Nc1ccc(cc1)C(=O)NC1CCCCC1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1 O=C(NC1CCCCC1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccc(cc1)C(=O)NC1CCCCC1
COc1c(C(=O)NC[C@](C)(O)CCC(C)C)c(C)nn1C CC(C)C[*:1] COc1c(C(=O)NC[C@](C)(O)C[*:1])c(C)nn1C
COc1c(C(=O)NC[C@](C)(O)CCC(C)C)c(C)nn1C CC(C)[*:1] COc1c(C(=O)NC[C@](C)(O)CC[*:1])c(C)nn1C
COc1c(C(=O)NC[C@](C)(O)CCC(C)C)c(C)nn1C CC(C)CC[*:1] COc1c(C(=O)NC[C@](C)(O)[*:1])c(C)nn1C
Cn1c(CC(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc21 O=[N+]([O-])[*:1] Cn1c(CC(=O)NNC(=O)/C=C/c2ccc(cc2)[*:1])nc2ccccc21
Cn1c(CC(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc21 O=[N+]([O-])c1ccc(cc1)[*:1] Cn1c(CC(=O)NNC(=O)C=C[*:1])nc2ccccc21
NC(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCN(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCN(C2)[*:1])cc1
NC(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCN(c3ccccc3)C2)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N[C@@H]1CCN(C1)c1ccccc1
COCc1cc(=O)[nH]c(-c2ccccc2OC(F)(F)F)n1 COC[*:1] O=c1cc(nc([nH]1)-c1ccccc1OC(F)(F)F)[*:1]
COCc1cc(=O)[nH]c(-c2ccccc2OC(F)(F)F)n1 FC(F)(F)O[*:1] COCc1cc(=O)[nH]c(n1)-c1ccccc1[*:1]
COCc1cc(=O)[nH]c(-c2ccccc2OC(F)(F)F)n1 FC(F)(F)[*:1] COCc1cc(=O)[nH]c(n1)-c1ccccc1O[*:1]
CC(C)(C)OC(=O)/C=C(\N)c1ccccc1 CC(C)(C)[*:1] N/C(=C\C(=O)O[*:1])c1ccccc1
CCC[C@@H]1CCCN(C(=O)c2cn(C)nc2C(C)(C)C)C1 CC(C)(C)[*:1] CCC[C@@H]1CCCN(C1)C(=O)c1cn(C)nc1[*:1]
CCC[C@@H]1CCCN(C(=O)c2cn(C)nc2C(C)(C)C)C1 CCC[*:1] Cn1cc(C(=O)N2CCC[C@H](C2)[*:1])c(n1)C(C)(C)C
CC(C)N1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] CC(C)N1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[*:1]
CC(C)N1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 CC(C)[*:1] C[C@@]1(Cn2c(cc3occc32)C(=O)N1[*:1])C(=O)NC1CCCCCCC1
O=S(=O)(CC1CCCCC1)N[C@H](CO)c1ccc(Cl)c(F)c1 C1CCC(CC1)[*:1] O=S(=O)(C[*:1])N[C@H](CO)c1ccc(Cl)c(F)c1
O=S(=O)(CC1CCCCC1)N[C@H](CO)c1ccc(Cl)c(F)c1 C1CCC(CC1)C[*:1] O=S(=O)(N[C@H](CO)c1ccc(Cl)c(F)c1)[*:1]
CC(C)(C)NC(=O)Nc1cccc(C(=O)N2Cc3nc(-c4ccccc4)sc3C2)c1 c1ccc(cc1)[*:1] CC(C)(C)NC(=O)Nc1cccc(c1)C(=O)N1Cc2nc(sc2C1)[*:1]
CC(C)(C)NC(=O)Nc1cccc(C(=O)N2Cc3nc(-c4ccccc4)sc3C2)c1 CC(C)(C)NC(=O)N[*:1] O=C(c1cccc(c1)[*:1])N1Cc2nc(sc2C1)-c1ccccc1
CC(C)(C)NC(=O)Nc1cccc(C(=O)N2Cc3nc(-c4ccccc4)sc3C2)c1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)C(=O)N1Cc2nc(sc2C1)-c1ccccc1)N[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1Cc1cccnc1 c1ccc(cc1)[*:1] O=C1c2[nH]nc(c2[C@H](c2cccc(F)c2)N1Cc1cccnc1)[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1Cc1cccnc1 c1cncc(c1)C[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1Cc1cccnc1 Fc1cccc(c1)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](N1Cc1cccnc1)[*:1]
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1Cc1cccnc1 c1cncc(c1)[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1C[*:1]
C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)o1 C[C@@H]1C[C@H]1[*:1] CN(Cc1ccc(o1)[*:1])C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O
C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)o1 C[C@@H]1C[C@@H]1c1ccc(o1)[*:1] CN(C[*:1])C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O
CCc1ccc(OCC[C@H]2CCC[C@]2([NH3+])C(N)=O)cc1 NC(=O)[*:1] CCc1ccc(cc1)OCC[C@H]1CCC[C@@]1([NH3+])[*:1]
O=C(CC[C@H]1CCCOC1)O[C@@H](C1CCCCC1)C(F)(F)F C1CCC(CC1)[*:1] O=C(CC[C@H]1CCCOC1)O[C@@H](C(F)(F)F)[*:1]
O=C(CC[C@H]1CCCOC1)O[C@@H](C1CCCCC1)C(F)(F)F C1COC[C@H](C1)[*:1] O=C(CC[*:1])O[C@@H](C1CCCCC1)C(F)(F)F
O=C(CC[C@H]1CCCOC1)O[C@@H](C1CCCCC1)C(F)(F)F C1COC[C@H](C1)C[*:1] O=C(C[*:1])O[C@@H](C1CCCCC1)C(F)(F)F
O=C(CC[C@H]1CCCOC1)O[C@@H](C1CCCCC1)C(F)(F)F FC(F)(F)[*:1] O=C(CC[C@H]1CCCOC1)O[C@@H](C1CCCCC1)[*:1]
CCOCCN(C)C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C CCOCC[*:1] CN(C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)[*:1]
CCOCCN(C)C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C CCO[*:1] CN(CC[*:1])C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C
CCOCCN(C)C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C CCOC[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C
C[C@@H](CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21)[S@](C)=O C[S@](=O)[*:1] C[C@@H](CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21)[*:1]
CSCCCC(=O)NC[C@@H]1COC2(CCCC2)O1 CSCC[*:1] O=C(C[*:1])NC[C@@H]1COC2(CCCC2)O1
CSCCCC(=O)NC[C@@H]1COC2(CCCC2)O1 CSCCC[*:1] O=C(NC[C@@H]1COC2(CCCC2)O1)[*:1]
CSCCCC(=O)NC[C@@H]1COC2(CCCC2)O1 CSC[*:1] O=C(CC[*:1])NC[C@@H]1COC2(CCCC2)O1
C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 c1coc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1ccc2NC(=O)CCc2c1
C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 O=C(N[*:1])c1ccco1 C[C@@H](C(=O)Nc1ccc2NC(=O)CCc2c1)[*:1]
CCc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)sc1C O=C([O-])C[*:1] CCc1cc(sc1C)C(=O)N1CCO[C@@H](C1)[*:1]
CCc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)sc1C O=C([O-])[*:1] CCc1cc(sc1C)C(=O)N1CCO[C@H](C1)C[*:1]
O=C(NCCCO)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F FC(F)(F)[*:1] O=C(NCCCO)Nc1ccc(cc1[*:1])NC(=O)c1ccc(F)cc1
O=C(NCCCO)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F OCC[*:1] O=C(NC[*:1])Nc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(F)cc1
O=C(NCCCO)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F O=C(NCCCO)N[*:1] O=C(Nc1ccc(c(c1)C(F)(F)F)[*:1])c1ccc(F)cc1
O=C(NCCCO)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F Fc1ccc(cc1)[*:1] O=C(NCCCO)Nc1ccc(cc1C(F)(F)F)NC(=O)[*:1]
O=C(NCCCO)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F OCCC[*:1] O=C(Nc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(F)cc1)N[*:1]
C[C@H]1C[C@](O)(CCC(F)(F)F)CS1 FC(F)(F)[*:1] C[C@H]1C[C@](O)(CC[*:1])CS1
C[C@H](C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)n1cnc2ccccc21 C1CC1[*:1] C[C@H](C(=O)NC[C@H]1CC(=O)N(C1)[*:1])n1cnc2ccccc21
Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cccc(Br)c3)ccc21 Brc1cccc(c1)[*:1] Cn1c(=O)n(C)c2cc(/C=N/NC(=O)[*:1])ccc21
COC(=O)c1cccc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)n1 COC(=O)[*:1] CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(n1)[*:1]
Cc1ccc2cccc(OCCn3cc(-c4cncnc4)nn3)c2n1 c1ncc(cn1)[*:1] Cc1ccc2cccc(OCCn3cc(nn3)[*:1])c2n1
COc1ccc2c(c1)[C@H]([NH2+][C@@H](C(=O)[O-])C1CC1)CC2 O=C([O-])[*:1] COc1ccc2CC[C@@H]([NH2+][C@@H](C3CC3)[*:1])c2c1
COc1ccc2c(c1)[C@H]([NH2+][C@@H](C(=O)[O-])C1CC1)CC2 C1CC1[*:1] COc1ccc2CC[C@@H]([NH2+][C@@H](C(=O)[O-])[*:1])c2c1
O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(N1CCCCC1)N1CCCCC1 O=[N+]([O-])[*:1] ClC(Cl)=C(Cl)C(=C(N1CCCCC1)N1CCCCC1)[*:1]
O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(N1CCCCC1)N1CCCCC1 C1CCN(CC1)[*:1] O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(N1CCCCC1)[*:1]
O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(N1CCCCC1)N1CCCCC1 ClC(Cl)=C(Cl)[*:1] O=[N+]([O-])C(=C(N1CCCCC1)N1CCCCC1)[*:1]
CCC(=O)Nc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)s2)c1 CCC(=O)N[*:1] Cc1cc(C)cc(c1)N1C[C@@H](CC1=O)c1nnc(NC(=O)c2cccc(c2)[*:1])s1
CCC(=O)Nc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)s2)c1 Cc1cc(C)cc(c1)[*:1] CCC(=O)Nc1cccc(c1)C(=O)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
CCC(=O)Nc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)s2)c1 CCC(=O)Nc1cccc(c1)[*:1] Cc1cc(C)cc(c1)N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])s1
O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl O=C(N1CCCCC1)[*:1] O=C(CN1C[C@@H](Oc2ccccc21)[*:1])Nc1ccc(cc1Cl)[N+](=O)[O-]
O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(CN1C[C@H](Oc2ccccc21)C(=O)N1CCCCC1)Nc1ccc(cc1Cl)[*:1]
O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])c1ccc(c(Cl)c1)[*:1] O=C(CN1C[C@H](Oc2ccccc21)C(=O)N1CCCCC1)N[*:1]
CC(=O)c1ccc(NCc2noc(-c3ccccc3)n2)cc1 CC(=O)[*:1] c1ccc(cc1)-c1nc(CNc2ccc(cc2)[*:1])no1
CC(=O)c1ccc(NCc2noc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NCc1noc(n1)[*:1]
COc1ccc(F)cc1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] COc1ccc(F)cc1NC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
C=C(C)COc1cccc(NC(=O)N2CC[C@@H](COCC)C2)c1 C=C(C)C[*:1] CCOC[C@@H]1CCN(C1)C(=O)Nc1cccc(c1)O[*:1]
C=C(C)COc1cccc(NC(=O)N2CC[C@@H](COCC)C2)c1 C=C(C)CO[*:1] CCOC[C@@H]1CCN(C1)C(=O)Nc1cccc(c1)[*:1]
C=C(C)COc1cccc(NC(=O)N2CC[C@@H](COCC)C2)c1 C=C(C)[*:1] CCOC[C@@H]1CCN(C1)C(=O)Nc1cccc(c1)OC[*:1]
C=C(C)COc1cccc(NC(=O)N2CC[C@@H](COCC)C2)c1 CCOC[*:1] C=C(C)COc1cccc(c1)NC(=O)N1CC[C@@H](C1)[*:1]
C=C(C)COc1cccc(NC(=O)N2CC[C@@H](COCC)C2)c1 CCO[*:1] C=C(C)COc1cccc(c1)NC(=O)N1CC[C@H](C1)C[*:1]
COc1ccc([C@H]2[C@H](C(=O)NN3Cc4ccccc4C3)CC(=O)N2C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](C(=O)NN2Cc3ccccc3C2)[C@@H]1[*:1]
O=C(Nc1ccccn1)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 Clc1ccccc1C[*:1] O=C(Nc1ccccn1)c1cc(=O)c(c[nH]1)O[*:1]
O=C(Nc1ccccn1)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 Clc1ccccc1[*:1] O=C(Nc1ccccn1)c1cc(=O)c(c[nH]1)OC[*:1]
O=C(Nc1ccccn1)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 c1ccc(nc1)[*:1] O=C(N[*:1])c1cc(=O)c(c[nH]1)OCc1ccccc1Cl
Cc1ccc2n[nH]cc2c1C(=O)[O-] O=C([O-])[*:1] Cc1ccc2n[nH]cc2c1[*:1]
Cc1nccn1Cc1ccc(NC(=O)c2c[nH]c3cccc(F)c23)cc1 Cc1nccn1[*:1] O=C(Nc1ccc(cc1)C[*:1])c1c[nH]c2cccc(F)c12
Cc1nccn1Cc1ccc(NC(=O)c2c[nH]c3cccc(F)c23)cc1 Cc1nccn1C[*:1] O=C(Nc1ccc(cc1)[*:1])c1c[nH]c2cccc(F)c12
CC(C)[C@@H](CO)NC(=O)c1ccc(Br)cc1 CC(C)[*:1] O=C(N[C@H](CO)[*:1])c1ccc(Br)cc1
CC[C@H](C)[C@@](C)(O)CNC(=O)C1=CCCCO1 CC[C@H](C)[*:1] C[C@@](O)(CNC(=O)C1=CCCCO1)[*:1]
CCC[C@@H](NC(=O)c1sc(C)nc1C)C(=O)OC CCC[*:1] COC(=O)[C@H](NC(=O)c1sc(C)nc1C)[*:1]
CCC[C@@H](NC(=O)c1sc(C)nc1C)C(=O)OC COC(=O)[*:1] CCC[C@@H](NC(=O)c1sc(C)nc1C)[*:1]
C[C@@H](Cl)C(=O)N1CCN(c2nccn2C)CC1 C[C@@H](Cl)[*:1] Cn1ccnc1N1CCN(CC1)C(=O)[*:1]
C[C@@](O)(CO)CNc1ncc(Cl)cc1F C[C@@](O)(CO)[*:1] Fc1cc(Cl)cnc1NC[*:1]
Fc1ccc2c(c1)[C@H](Nc1ncccn1)CCS2 c1cnc(nc1)[*:1] Fc1ccc2SCC[C@@H](N[*:1])c2c1
O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)Nc1ccccc1N1CCCC1=O FC(F)(F)[*:1] O=C(COc1ccc(cc1[*:1])[N+](=O)[O-])Nc1ccccc1N1CCCC1=O
O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(COc1ccc(cc1C(F)(F)F)[N+](=O)[O-])Nc1ccccc1[*:1]
O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)Nc1ccccc1N1CCCC1=O O=[N+]([O-])[*:1] O=C(COc1ccc(cc1C(F)(F)F)[*:1])Nc1ccccc1N1CCCC1=O
CCS(=O)(=O)CCN(C)C(=O)/C=C/c1nc2ccccc2o1 CCS(=O)(=O)C[*:1] CN(C[*:1])C(=O)/C=C/c1nc2ccccc2o1
CCS(=O)(=O)CCN(C)C(=O)/C=C/c1nc2ccccc2o1 CCS(=O)(=O)[*:1] CN(CC[*:1])C(=O)/C=C/c1nc2ccccc2o1
CCS(=O)(=O)CCN(C)C(=O)/C=C/c1nc2ccccc2o1 CCS(=O)(=O)CC[*:1] CN(C(=O)/C=C/c1nc2ccccc2o1)[*:1]
COC[C@H](C)NC(=O)NCCOc1ccc(C#N)cc1 COC[C@H](C)[*:1] N#Cc1ccc(cc1)OCCNC(=O)N[*:1]
COC[C@H](C)NC(=O)NCCOc1ccc(C#N)cc1 COC[*:1] C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)[*:1]
C[C@@H](c1nccs1)N(C)c1nc2nonc2nc1NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](c1nccs1)N(C)c1nc2nonc2nc1N[*:1]
C[C@@H](c1nccs1)N(C)c1nc2nonc2nc1NC1CCCC1 C1CCC(C1)N[*:1] C[C@@H](c1nccs1)N(C)c1nc2nonc2nc1[*:1]
C[C@@H](c1nccs1)N(C)c1nc2nonc2nc1NC1CCCC1 c1csc(n1)[*:1] C[C@@H](N(C)c1nc2nonc2nc1NC1CCCC1)[*:1]
COc1ccc(C(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)cc1 COc1ccc(cc1)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)C(=O)[*:1]
COc1ccc(C(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1)C(=O)C(=O)Nc1ccc(F)c(c1)[*:1]
Cc1nc2ccc(C(=O)NNC(=O)c3ccncc3)cc2nc1C c1cc(ccn1)[*:1] Cc1nc2ccc(cc2nc1C)C(=O)NNC(=O)[*:1]
COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(Nc1ccc(O)c(c1)-c1nc2cnccc2o1)[*:1]
COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)cc1Cl c1cc2oc(nc2cn1)[*:1] COc1ccc(cc1Cl)C(=O)Nc1ccc(O)c(c1)[*:1]
Cc1nc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])sc1C Cc1nc(N[*:1])sc1C O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1ccc(Cl)cc1
Cc1nc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])sc1C Cc1nc(sc1C)[*:1] O=C(NNc1ncnc(N[*:1])c1[N+](=O)[O-])c1ccc(Cl)cc1
Cc1nc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])sc1C O=[N+]([O-])[*:1] Cc1nc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[*:1])sc1C
Cc1nc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])sc1C Clc1ccc(cc1)[*:1] Cc1nc(Nc2ncnc(NNC(=O)[*:1])c2[N+](=O)[O-])sc1C
COc1ccccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(C(C)C)cc1 CC(C)[*:1] COc1ccccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(cc1)[*:1]
COc1ccccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(C(C)C)cc1 COc1ccccc1[*:1] CC(C)c1ccc(cc1)-n1nnnc1S[C@@H](C)C(=O)N[*:1]
COc1ccccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(C(C)C)cc1 CC(C)c1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@H](C)Sc1nnnn1[*:1]
Cc1ccnc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)c1 Cc1ccnc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc2nncn2n1
Cc1cccc(OCC(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)CC2)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)OCC(=O)N1CCC(CC1)c1nc(O)c2nnn(C[*:1])c2n1
Cc1cccc(OCC(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)CC2)c1 Cc1cccc(c1)OC[*:1] O=C(N1CCC(CC1)c1nc(O)c2nnn(Cc3cccc(Cl)c3)c2n1)[*:1]
Cc1cccc(OCC(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])N1CCC(CC1)c1nc(O)c2nnn(Cc3cccc(Cl)c3)c2n1
Cc1cccc(OCC(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)CC2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])N1CCC(CC1)c1nc(O)c2nnn(Cc3cccc(Cl)c3)c2n1
Cc1cccc(OCC(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)CC2)c1 Clc1cccc(c1)C[*:1] Cc1cccc(c1)OCC(=O)N1CCC(CC1)c1nc(O)c2nnn(c2n1)[*:1]
CC(=O)N[C@H](Cc1ccccc1C)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC(=O)N[C@H](Cc1ccccc1C)C(=O)NC1CCN(CC1)c1ncccc1[*:1]
CC(=O)N[C@H](Cc1ccccc1C)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1 CC(=O)N[*:1] Cc1ccccc1C[C@H](C(=O)NC1CCN(CC1)c1ncccc1[N+](=O)[O-])[*:1]
CC(=O)N[C@H](Cc1ccccc1C)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1cccnc1[*:1] CC(=O)N[C@H](Cc1ccccc1C)C(=O)NC1CCN(CC1)[*:1]
CC(=O)N[C@H](Cc1ccccc1C)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1 Cc1ccccc1[*:1] CC(=O)N[C@H](C[*:1])C(=O)NC1CCN(CC1)c1ncccc1[N+](=O)[O-]
CC(=O)N[C@H](Cc1ccccc1C)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1 Cc1ccccc1C[*:1] CC(=O)N[C@H](C(=O)NC1CCN(CC1)c1ncccc1[N+](=O)[O-])[*:1]
O=C(c1ccc(N2CCC([NH2+]CC3(N4CCOCC4)CCCCCC3)CC2)cc1)N1CCC[C@H](O)C1 C1CN(CCO1)[*:1] O=C(c1ccc(cc1)N1CCC(CC1)[NH2+]CC1(CCCCCC1)[*:1])N1CCC[C@H](O)C1
O=C(c1ccc(N2CCC([NH2+]CC3(N4CCOCC4)CCCCCC3)CC2)cc1)N1CCC[C@H](O)C1 O=C(N1CCC[C@H](O)C1)[*:1] c1cc(ccc1N1CCC(CC1)[NH2+]CC1(CCCCCC1)N1CCOCC1)[*:1]
Cc1ccc(-n2ncc(C(=O)Nc3cc(Cl)ccc3C)c2C2CC[NH2+]CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)c1cnn(c1C1CC[NH2+]CC1)[*:1]
Cc1ccc(-n2ncc(C(=O)Nc3cc(Cl)ccc3C)c2C2CC[NH2+]CC2)cc1 Cc1ccc(Cl)cc1[*:1] Cc1ccc(cc1)-n1ncc(C(=O)N[*:1])c1C1CC[NH2+]CC1
CCc1ccc(C2=CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)cc1 CCc1ccc(cc1)[*:1] NC(=O)N1CCC[C@H]1C(=O)N1CC=C(CC1)[*:1]
Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1N1CCOC1=O O=C1OCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H]1C[C@@H]1c1ccccc1
Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1N1CCOC1=O c1ccc(cc1)[*:1] Cc1ccc(cc1N1CCOC1=O)NC(=O)[C@@H]1C[C@H]1[*:1]
C[C@]1(C(N)=O)CN(C(=O)c2ccc(N3CCCC3)cc2)CCO1 C1CCN(C1)[*:1] C[C@@]1(CN(CCO1)C(=O)c1ccc(cc1)[*:1])C(N)=O
C[C@]1(C(N)=O)CN(C(=O)c2ccc(N3CCCC3)cc2)CCO1 NC(=O)[*:1] C[C@@]1(CN(CCO1)C(=O)c1ccc(cc1)N1CCCC1)[*:1]
Cc1ccccc1CS[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 Cc1ccccc1CS[*:1] C[C@H](C(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1)[*:1]
Cc1ccccc1CS[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 Fc1ccc(cc1F)[*:1] Cc1ccccc1CS[C@H](C)C(=O)Nc1nc(cs1)[*:1]
Cc1ccccc1CS[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 Cc1ccccc1C[*:1] C[C@@H](S[*:1])C(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1
Cc1ccccc1CS[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 Cc1ccccc1[*:1] C[C@@H](SC[*:1])C(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1
Cc1occc1C(=O)NCC(=O)N1CCC[C@H]1c1cccc(F)c1 Cc1occc1[*:1] O=C(CNC(=O)[*:1])N1CCC[C@H]1c1cccc(F)c1
Cc1occc1C(=O)NCC(=O)N1CCC[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1occc1C(=O)NCC(=O)N1CCC[C@@H]1[*:1]
C[C@@H]1CCN(C(=O)c2ccccc2OCC(N)=O)c2ccccc21 NC(=O)[*:1] C[C@@H]1CCN(C(=O)c2ccccc2OC[*:1])c2ccccc21
C[C@@H]1CCN(C(=O)c2ccccc2OCC(N)=O)c2ccccc21 NC(=O)CO[*:1] C[C@@H]1CCN(C(=O)c2ccccc2[*:1])c2ccccc21
C[C@@H]1CCN(C(=O)c2ccccc2OCC(N)=O)c2ccccc21 NC(=O)C[*:1] C[C@@H]1CCN(C(=O)c2ccccc2O[*:1])c2ccccc21
NS(=O)(=O)CCCC(=O)N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1 NS(=O)(=O)CCC[*:1] O=C(N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1)[*:1]
NS(=O)(=O)CCCC(=O)N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1 NS(=O)(=O)[*:1] O=C(CCC[*:1])N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1
NS(=O)(=O)CCCC(=O)N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1 NS(=O)(=O)C[*:1] O=C(CC[*:1])N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1
NS(=O)(=O)CCCC(=O)N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1 NS(=O)(=O)CC[*:1] O=C(C[*:1])N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1
CCc1nncn1CCNC(=O)N[C@H]1C[C@@](C)(OC)C1(C)C CCc1nncn1[*:1] CO[C@]1(C)C[C@H](NC(=O)NCC[*:1])C1(C)C
CCC(=O)Nc1ccc([C@@H](C)NC(=O)NCCC(F)(F)F)cc1 FC(F)(F)[*:1] CCC(=O)Nc1ccc(cc1)[C@@H](C)NC(=O)NCC[*:1]
CCC(=O)Nc1ccc([C@@H](C)NC(=O)NCCC(F)(F)F)cc1 CCC(=O)N[*:1] C[C@@H](NC(=O)NCCC(F)(F)F)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc([C@@H](C)NC(=O)NCCC(F)(F)F)cc1 FC(F)(F)C[*:1] CCC(=O)Nc1ccc(cc1)[C@@H](C)NC(=O)NC[*:1]
CCC(=O)Nc1ccc([C@@H](C)NC(=O)NCCC(F)(F)F)cc1 FC(F)(F)CC[*:1] CCC(=O)Nc1ccc(cc1)[C@@H](C)NC(=O)N[*:1]
Cc1cc([N+](=O)[O-])cnc1Nc1cccc(C[S@](=O)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cc(cnc1Nc1cccc(c1)C[S@](=O)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1Nc1cccc(C[S@](=O)C(C)(C)C)c1 O=[N+]([O-])[*:1] Cc1cc(cnc1Nc1cccc(c1)C[S@](=O)C(C)(C)C)[*:1]
Cc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)c(C)c2)cn1 Cc1ccc(cn1)[*:1] Cc1cc(ccc1S(N)(=O)=O)C(=O)NCC[*:1]
Cc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)c(C)c2)cn1 NS(=O)(=O)[*:1] Cc1ccc(cn1)CCNC(=O)c1ccc(c(C)c1)[*:1]
C=CCOc1ccc(NC(=O)c2ccco2)cc1 C=CC[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccco1
C=CCOc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] C=CCOc1ccc(cc1)NC(=O)[*:1]
C=CCOc1ccc(NC(=O)c2ccco2)cc1 C=CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccco1
Cc1oc(-c2ccccc2)nc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1oc(nc1C(=O)N1CCC(CC1)[C@H](O)c1ccccc1)[*:1]
Cc1oc(-c2ccccc2)nc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1oc(nc1C(=O)N1CCC(CC1)[C@H](O)[*:1])-c1ccccc1
Cc1oc(-c2ccccc2)nc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 O[C@H](c1ccccc1)[*:1] Cc1oc(nc1C(=O)N1CCC(CC1)[*:1])-c1ccccc1
CC[NH2+][C@H](c1csc(C)c1)[C@H]1CN(CC)CCO1 Cc1cc(cs1)[*:1] CC[NH2+][C@H]([C@H]1CN(CC)CCO1)[*:1]
Cc1ccc(-n2ncc(C(=O)NCCn3cccc3)c2C(F)(F)F)cc1 c1ccn(c1)[*:1] Cc1ccc(cc1)-n1ncc(C(=O)NCC[*:1])c1C(F)(F)F
Cc1ccc(-n2ncc(C(=O)NCCn3cccc3)c2C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-n1ncc(C(=O)NCCn2cccc2)c1[*:1]
Cc1ccc(-n2ncc(C(=O)NCCn3cccc3)c2C(F)(F)F)cc1 Cc1ccc(cc1)[*:1] O=C(NCCn1cccc1)c1cnn(c1C(F)(F)F)[*:1]
Cc1ccc(-n2ncc(C(=O)NCCn3cccc3)c2C(F)(F)F)cc1 c1ccn(c1)CC[*:1] Cc1ccc(cc1)-n1ncc(C(=O)N[*:1])c1C(F)(F)F
Cc1ccc(-n2ncc(C(=O)NCCn3cccc3)c2C(F)(F)F)cc1 c1ccn(c1)C[*:1] Cc1ccc(cc1)-n1ncc(C(=O)NC[*:1])c1C(F)(F)F
Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCc3ccccc3Br)CC2)s1 Cc1ccc(C)n1[*:1] O=C(NCc1ccccc1Br)C1CCN(CC1)c1nnc(s1)[*:1]
Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCc3ccccc3Br)CC2)s1 Brc1ccccc1[*:1] Cc1ccc(C)n1-c1nnc(s1)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCc3ccccc3Br)CC2)s1 Brc1ccccc1C[*:1] Cc1ccc(C)n1-c1nnc(s1)N1CCC(CC1)C(=O)N[*:1]
CCC1(CNC(=O)C2=Cc3cc(OC)ccc3OC2)CC1 CCC1(CC1)C[*:1] COc1ccc2OCC(=Cc2c1)C(=O)N[*:1]
CCC1(CNC(=O)C2=Cc3cc(OC)ccc3OC2)CC1 CCC1(CC1)[*:1] COc1ccc2OCC(=Cc2c1)C(=O)NC[*:1]
Cc1cc(C(=O)NC2CCCC2)ccc1NCCn1c(=O)oc2ccccc21 C1CCC(C1)[*:1] Cc1cc(ccc1NCCn1c(=O)oc2ccccc21)C(=O)N[*:1]
Cc1cc(C(=O)NC2CCCC2)ccc1NCCn1c(=O)oc2ccccc21 O=C(NC1CCCC1)[*:1] Cc1cc(ccc1NCCn1c(=O)oc2ccccc21)[*:1]
O=C(COc1ccccc1)N(Cc1ccncc1)c1nc2c(F)cccc2s1 c1ccc(cc1)O[*:1] O=C(C[*:1])N(Cc1ccncc1)c1nc2c(F)cccc2s1
O=C(COc1ccccc1)N(Cc1ccncc1)c1nc2c(F)cccc2s1 c1ccc(cc1)[*:1] O=C(CO[*:1])N(Cc1ccncc1)c1nc2c(F)cccc2s1
O=C(COc1ccccc1)N(Cc1ccncc1)c1nc2c(F)cccc2s1 c1cc(ccn1)[*:1] O=C(COc1ccccc1)N(C[*:1])c1nc2c(F)cccc2s1
O=C(COc1ccccc1)N(Cc1ccncc1)c1nc2c(F)cccc2s1 c1cc(ccn1)C[*:1] O=C(COc1ccccc1)N(c1nc2c(F)cccc2s1)[*:1]
O=C(COc1ccccc1)N(Cc1ccncc1)c1nc2c(F)cccc2s1 c1ccc(cc1)OC[*:1] O=C(N(Cc1ccncc1)c1nc2c(F)cccc2s1)[*:1]
CCc1c(C(=O)NC[C@@H]2COc3ccccc3O2)c(=O)cc(C)n1CC[NH+]1CCCCC1 c1ccc2O[C@@H](COc2c1)[*:1] CCc1c(C(=O)NC[*:1])c(=O)cc(C)n1CC[NH+]1CCCCC1
CC(C)c1cc(C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)on1 CC(C)[*:1] C[C@H](NC(=O)c1cc(no1)[*:1])C(=O)N1CCCC[C@@H]1C
CC[C@@H](C)NC(=O)c1ccc(NC(=O)COc2ccccc2)cc1 CC[C@@H](C)[*:1] O=C(COc1ccccc1)Nc1ccc(cc1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)COc2ccccc2)cc1 c1ccc(cc1)OC[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)COc2ccccc2)cc1 CC[C@@H](C)NC(=O)[*:1] O=C(COc1ccccc1)Nc1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)COc2ccccc2)cc1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)CO[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)COc2ccccc2)cc1 c1ccc(cc1)O[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)C[*:1]
CCOC(=O)C1=c2s/c(=C\C(=O)OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1F COC(=O)[*:1] CCOC(=O)C1=c2sc(=C[*:1])c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1F
CCOC(=O)C1=c2s/c(=C\C(=O)OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CCOC(=O)C1=c2s/c(=C\C(=O)OC)c(=O)n2C(N)=C(C#N)[C@H]1[*:1]
CCOC(=O)C1=c2s/c(=C\C(=O)OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1F CCOC(=O)[*:1] COC(=O)/C=c1\sc2=C([C@H](C(C#N)=C(N)n2c1=O)c1ccccc1F)[*:1]
CCCC[C@H](C(=O)OC)C(=O)c1ccc2nccnc2c1 CCC[*:1] COC(=O)[C@@H](C[*:1])C(=O)c1ccc2nccnc2c1
CCCC[C@H](C(=O)OC)C(=O)c1ccc2nccnc2c1 COC(=O)[*:1] CCCC[C@H](C(=O)c1ccc2nccnc2c1)[*:1]
CCCC[C@H](C(=O)OC)C(=O)c1ccc2nccnc2c1 CCCC[*:1] COC(=O)[C@H](C(=O)c1ccc2nccnc2c1)[*:1]
N#Cc1ccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NC[*:1])N1CC[NH+](C/C=C/c2ccccc2)CC1
N#Cc1ccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 C(=C/c1ccccc1)\C[*:1] N#Cc1ccc(cc1)CNC(=O)N1CC[NH+](CC1)[*:1]
N#Cc1ccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 N#Cc1ccc(cc1)C[*:1] O=C(N[*:1])N1CC[NH+](C/C=C/c2ccccc2)CC1
N#Cc1ccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)CNC(=O)N1CC[NH+](CC=C[*:1])CC1
N#Cc1ccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 C(=C[*:1])c1ccccc1 N#Cc1ccc(cc1)CNC(=O)N1CC[NH+](CC1)C[*:1]
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C[C@H](O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] C[C@H]1C[C@@H](c2cccc(F)c2)N(C1)C(=O)C[C@H](O)[*:1]
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C[C@H](O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] C[C@H]1C[C@@H](N(C1)C(=O)C[C@H](O)c1cccc(F)c1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 CC(=O)N[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
Cc1occc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1occc1C(=O)NNC(=O)c1nc(n(n1)-c1ccccc1)[*:1]
Cc1occc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 Cc1occc1[*:1] O=C(NNC(=O)[*:1])c1nc(-c2ccccc2)n(n1)-c1ccccc1
Cc1occc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1occc1C(=O)NNC(=O)c1nc(-c2ccccc2)n(n1)[*:1]
CCCC[C@H](C(=O)[O-])[C@H](O)c1cccc(C2CC2)c1 CCC[*:1] O=C([O-])[C@@H](C[*:1])[C@H](O)c1cccc(c1)C1CC1
CCCC[C@H](C(=O)[O-])[C@H](O)c1cccc(C2CC2)c1 C1CC1[*:1] CCCC[C@H](C(=O)[O-])[C@H](O)c1cccc(c1)[*:1]
CCCC[C@H](C(=O)[O-])[C@H](O)c1cccc(C2CC2)c1 CCCC[*:1] O=C([O-])[C@H]([C@H](O)c1cccc(c1)C1CC1)[*:1]
CCCC[C@H](C(=O)[O-])[C@H](O)c1cccc(C2CC2)c1 O=C([O-])[*:1] CCCC[C@H]([C@H](O)c1cccc(c1)C1CC1)[*:1]
COC(=O)COc1c(C)cc(C[NH+]2CCC(c3cnn(C)c3)CC2)cc1C Cn1cc(cn1)[*:1] COC(=O)COc1c(C)cc(cc1C)C[NH+]1CCC(CC1)[*:1]
COC(=O)COc1c(C)cc(C[NH+]2CCC(c3cnn(C)c3)CC2)cc1C COC(=O)[*:1] Cc1cc(cc(C)c1OC[*:1])C[NH+]1CCC(CC1)c1cnn(C)c1
COC(=O)COc1c(C)cc(C[NH+]2CCC(c3cnn(C)c3)CC2)cc1C COC(=O)CO[*:1] Cc1cc(cc(C)c1[*:1])C[NH+]1CCC(CC1)c1cnn(C)c1
COC(=O)COc1c(C)cc(C[NH+]2CCC(c3cnn(C)c3)CC2)cc1C COC(=O)C[*:1] Cc1cc(cc(C)c1O[*:1])C[NH+]1CCC(CC1)c1cnn(C)c1
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2(C)CCCC2)c1 CC1(CCCC1)C[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)N[*:1]
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2(C)CCCC2)c1 CC1(CCCC1)[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)NC[*:1]
CCc1nsc(N2CCN(C(=O)NCC[NH+](CC)CC)CC2)n1 CCc1nsc(n1)[*:1] CC[NH+](CC)CCNC(=O)N1CCN(CC1)[*:1]
Cc1cccc(OC[C@H](O)CNC(=O)Cn2c(=O)cnc3ccccc32)c1 Cc1cccc(c1)[*:1] O=C(Cn1c(=O)cnc2ccccc21)NC[C@@H](O)CO[*:1]
Cc1cccc(OC[C@H](O)CNC(=O)Cn2c(=O)cnc3ccccc32)c1 Cc1cccc(c1)O[*:1] O=C(Cn1c(=O)cnc2ccccc21)NC[C@@H](O)C[*:1]
Cc1cccc(OC[C@H](O)CNC(=O)Cn2c(=O)cnc3ccccc32)c1 Cc1cccc(c1)OC[*:1] O=C(Cn1c(=O)cnc2ccccc21)NC[C@@H](O)[*:1]
COC(=O)C[C@H](C)N1CCN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 COC(=O)C[*:1] Cc1c(CN2CCN(CC2)[C@@H](C)[*:1])c(=O)n(-c2ccccc2)n1C
COC(=O)C[C@H](C)N1CCN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 c1ccc(cc1)[*:1] COC(=O)C[C@H](C)N1CCN(CC1)Cc1c(C)n(C)n(c1=O)[*:1]
COC(=O)C[C@H](C)N1CCN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 COC(=O)[*:1] Cc1c(CN2CCN(CC2)[C@@H](C)C[*:1])c(=O)n(-c2ccccc2)n1C
COC(=O)C[C@H](C)N1CCN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 COC(=O)C[C@H](C)[*:1] Cc1c(CN2CCN(CC2)[*:1])c(=O)n(-c2ccccc2)n1C
NS(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)cc2Cl)cs1 NS(=O)(=O)[*:1] O=C(OCc1ccc(Cl)cc1Cl)c1csc(c1)[*:1]
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1cccc2ccccc12 O=C([O-])[*:1] O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1[*:1])c1cccc2ccccc12
Cc1ccc(N2N=C(C(=O)NCCSCc3cccs3)NCC2=O)cc1 c1csc(c1)CS[*:1] Cc1ccc(cc1)N1N=C(NCC1=O)C(=O)NCC[*:1]
Cc1ccc(N2N=C(C(=O)NCCSCc3cccs3)NCC2=O)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)N1N=C(NCC1=O)C(=O)NCCS[*:1]
Cc1ccc(N2N=C(C(=O)NCCSCc3cccs3)NCC2=O)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1N=C(NCC1=O)C(=O)NCCSC[*:1]
Cc1ccc(N2N=C(C(=O)NCCSCc3cccs3)NCC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCCSCc1cccs1)C1=NN(C(=O)CN1)[*:1]
Cc1ccc(N2N=C(C(=O)NCCSCc3cccs3)NCC2=O)cc1 c1csc(c1)CSC[*:1] Cc1ccc(cc1)N1N=C(NCC1=O)C(=O)NC[*:1]
C[C@@](O)(c1ccc(Cl)cc1Cl)[C@@H](F)C(=O)[O-] O=C([O-])[*:1] C[C@@](O)(c1ccc(Cl)cc1Cl)[C@@H](F)[*:1]
CCCCN(C)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 CCCC[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)N(C)[*:1]
CCCCN(C)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 CCC[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)N(C)C[*:1]
COc1ccc(-c2nnc3sc(CN4CCc5ccccc5C4)cn23)cc1 COc1ccc(cc1)[*:1] c1ccc2CN(CCc2c1)Cc1cn2c(nnc2s1)[*:1]
CC[NH2+][C@@H](CC)[C@@H](C)c1nc(C(C)(C)OC)no1 COC(C)(C)[*:1] CC[NH2+][C@@H](CC)[C@@H](C)c1nc(no1)[*:1]
CCn1c(SCCCC#N)nc2cc(S(N)(=O)=O)ccc21 N#CCCCS[*:1] CCn1c(nc2cc(ccc21)S(N)(=O)=O)[*:1]
CCn1c(SCCCC#N)nc2cc(S(N)(=O)=O)ccc21 N#CCC[*:1] CCn1c(nc2cc(ccc21)S(N)(=O)=O)SC[*:1]
CCn1c(SCCCC#N)nc2cc(S(N)(=O)=O)ccc21 N#CCCC[*:1] CCn1c(nc2cc(ccc21)S(N)(=O)=O)S[*:1]
CCn1c(SCCCC#N)nc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CCn1c(nc2cc(ccc21)[*:1])SCCCC#N
CCn1c(SCCCC#N)nc2cc(S(N)(=O)=O)ccc21 N#CC[*:1] CCn1c(nc2cc(ccc21)S(N)(=O)=O)SCC[*:1]
C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCN(Cc2ccncc2)CC1 O=Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)Cc1ccncc1
C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCN(CC1)[*:1]
C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)[*:1] C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCN(CC1)C[*:1]
O=C(CCc1cccs1)NNc1ccc(F)cc1F c1csc(c1)[*:1] O=C(CC[*:1])NNc1ccc(F)cc1F
O=C(CCc1cccs1)NNc1ccc(F)cc1F c1csc(c1)C[*:1] O=C(C[*:1])NNc1ccc(F)cc1F
C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)Cc1ccc(Cl)cc1)[*:1]
Cc1cc(NC(=O)C(=O)NC[C@H](O)c2cccs2)no1 Cc1cc(no1)[*:1] O=C(NC[C@H](O)c1cccs1)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)NC[C@H](O)c2cccs2)no1 c1csc(c1)[*:1] Cc1cc(no1)NC(=O)C(=O)NC[C@H](O)[*:1]
CCONC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCONC(=O)[C@H]1CSCN1C(=O)c1ccc(cc1)[*:1]
CCONC(=O)[C@H]1CSCN1C(=O)c1ccc(C(C)(C)C)cc1 CCONC(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N1CSC[C@@H]1[*:1]
COC(=O)[C@H]1CCCCN1C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 COC(=O)[*:1] O=C([C@@H]1Cc2[nH+]c[nH]c2CN1)N1CCCC[C@@H]1[*:1]
O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCCC[C@H]1CCn1cccn1 c1cnn(c1)C[*:1] O=C(c1cc(n[nH]1)-c1ccc(O)cc1)N1CCCC[C@H]1C[*:1]
O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCCC[C@H]1CCn1cccn1 c1cnn(c1)CC[*:1] O=C(c1cc(n[nH]1)-c1ccc(O)cc1)N1CCCC[C@@H]1[*:1]
O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCCC[C@H]1CCn1cccn1 Oc1ccc(cc1)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCCC[C@H]1CCn1cccn1
O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCCC[C@H]1CCn1cccn1 c1cnn(c1)[*:1] O=C(c1cc(n[nH]1)-c1ccc(O)cc1)N1CCCC[C@H]1CC[*:1]
CCOc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 CCOc1ccccc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1cccn1
CCOc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 CCO[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1cccn1
CCOc1ccccc1NC(=O)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 c1cnn(c1)[*:1] CCOc1ccccc1NC(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
CCOC(=O)c1cccc(N[C@@H](C)CN2CC[NH+](C)CC2)n1 CCOC(=O)[*:1] C[C@@H](CN1CC[NH+](C)CC1)Nc1cccc(n1)[*:1]
Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@H](C)O4)C2)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc2NC(=O)[C@H](C)Oc2cc1S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@H](C)O4)C2)c1 Cc1cc(C)cc(c1)NC(=O)[*:1] Cc1cc2NC(=O)[C@H](C)Oc2cc1S(=O)(=O)N1CCC[C@H](C1)[*:1]
CCC[C@@H](C)CC(=O)N1CCc2ccc(Cl)cc2C1 CCC[C@@H](C)C[*:1] O=C(N1CCc2ccc(Cl)cc2C1)[*:1]
CCC[C@@H](C)CC(=O)N1CCc2ccc(Cl)cc2C1 CCC[*:1] C[C@@H](CC(=O)N1CCc2ccc(Cl)cc2C1)[*:1]
CCC[C@@H](C)CC(=O)N1CCc2ccc(Cl)cc2C1 CCC[C@@H](C)[*:1] O=C(C[*:1])N1CCc2ccc(Cl)cc2C1
O=C([O-])c1cn(-c2ccnc3ccc(Cl)cc23)cn1 O=C([O-])[*:1] Clc1ccc2nccc(c2c1)-n1cnc(c1)[*:1]
CC1(C)C(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)C1(C)C NS(=O)(=O)[*:1] CC1(C)C(C(=O)N2CCC[C@H](C2)[*:1])C1(C)C
C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 c1cnc(nc1)[*:1] C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1)[*:1]
O=C(Cc1ccccc1)OCc1cc(=O)n2nc(-c3cccs3)sc2n1 c1csc(c1)[*:1] O=C(Cc1ccccc1)OCc1cc(=O)n2nc(sc2n1)[*:1]
O=C(Cc1ccccc1)OCc1cc(=O)n2nc(-c3cccs3)sc2n1 c1ccc(cc1)C[*:1] O=C(OCc1cc(=O)n2nc(sc2n1)-c1cccs1)[*:1]
O=C(Cc1ccccc1)OCc1cc(=O)n2nc(-c3cccs3)sc2n1 c1ccc(cc1)[*:1] O=C(C[*:1])OCc1cc(=O)n2nc(sc2n1)-c1cccs1
CC(=O)N(Cc1ccc(NC(=O)N2CCCSCC2)cc1)C1CC1 CC(=O)N(C1CC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])N1CCCSCC1
CC(=O)N(Cc1ccc(NC(=O)N2CCCSCC2)cc1)C1CC1 C1CC1[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)N1CCCSCC1)[*:1]
CC(=O)N(Cc1ccc(NC(=O)N2CCCSCC2)cc1)C1CC1 CC(=O)N(C[*:1])C1CC1 O=C(Nc1ccc(cc1)[*:1])N1CCCSCC1
C[C@@H](NC(=O)NCc1ccnc(OC(C)(C)C)c1)c1nc(C(C)(C)C)no1 CC(C)(C)c1noc(n1)[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)OC(C)(C)C)[*:1]
C[C@@H](NC(=O)NCc1ccnc(OC(C)(C)C)c1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)O[*:1])c1nc(no1)C(C)(C)C
C[C@@H](NC(=O)NCc1ccnc(OC(C)(C)C)c1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)OC(C)(C)C)c1nc(no1)[*:1]
C[C@@H](NC(=O)NCc1ccnc(OC(C)(C)C)c1)c1nc(C(C)(C)C)no1 CC(C)(C)O[*:1] C[C@@H](NC(=O)NCc1ccnc(c1)[*:1])c1nc(no1)C(C)(C)C
CCCc1noc(CS(=O)(=O)c2cccc(OC)c2)n1 CCC[*:1] COc1cccc(c1)S(=O)(=O)Cc1nc(no1)[*:1]
CCc1ncc(C(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)cn1 C1CCC(CC1)[*:1] CCc1ncc(cn1)C(=O)N[C@@H]1CC(=O)N(C1)C[*:1]
CCc1ncc(C(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)cn1 C1CCC(CC1)C[*:1] CCc1ncc(cn1)C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CCc1ncc(C(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)cn1 CCc1ncc(cn1)[*:1] O=C1C[C@H](CN1CC1CCCCC1)NC(=O)[*:1]
CCc1ccc(C(C)(C)[NH2+]Cc2ccco2)cc1 c1coc(c1)C[*:1] CCc1ccc(cc1)C(C)(C)[NH2+][*:1]
CCc1ccc(C(C)(C)[NH2+]Cc2ccco2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)C(C)(C)[NH2+]C[*:1]
Cc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1sccc1C Cc1ccsc1[*:1] Cc1ccccc1N1C(=O)c2ccccc2N[C@@H]1[*:1]
Cc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1sccc1C Cc1ccccc1[*:1] Cc1ccsc1[C@@H]1Nc2ccccc2C(=O)N1[*:1]
Cc1ccccc1COc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 Cc1ccccc1[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1cccc(c1)OC[*:1]
Cc1ccccc1COc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 Cc1ccccc1C[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1cccc(c1)O[*:1]
CC(C)c1ocnc1CN1CCS(=O)(=O)CC1 CC(C)[*:1] O=S1(=O)CCN(CC1)Cc1ncoc1[*:1]
COCC(=O)Nc1cccc(NCc2ccccc2C(F)(F)F)c1 FC(F)(F)[*:1] COCC(=O)Nc1cccc(c1)NCc1ccccc1[*:1]
COCC(=O)Nc1cccc(NCc2ccccc2C(F)(F)F)c1 COC[*:1] O=C(Nc1cccc(c1)NCc1ccccc1C(F)(F)F)[*:1]
COCC(=O)Nc1cccc(NCc2ccccc2C(F)(F)F)c1 COCC(=O)N[*:1] FC(F)(F)c1ccccc1CNc1cccc(c1)[*:1]
Cc1cc(C)c(NC(=O)c2ccccc2NC(=O)c2ccccc2)c(C)c1 O=C(N[*:1])c1ccccc1 Cc1cc(C)c(NC(=O)c2ccccc2[*:1])c(C)c1
Cc1cc(C)c(NC(=O)c2ccccc2NC(=O)c2ccccc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1ccccc1
Cc1cc(C)c(NC(=O)c2ccccc2NC(=O)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)c2ccccc2NC(=O)[*:1])c(C)c1
COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 COC(=O)[C@H](C)[*:1] C[C@H]1CCN(c2ccc(cc2[N+](=O)[O-])C(=O)N[*:1])[C@H](C)C1
COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)[C@H](C)NC(=O)c1ccc(c(c1)[*:1])N1CC[C@H](C)C[C@H]1C
COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 COC(=O)[*:1] C[C@H]1CCN(c2ccc(cc2[N+](=O)[O-])C(=O)N[C@@H](C)[*:1])[C@H](C)C1
COc1ccc(C[NH+]2CCC(NC(=O)c3cc4ccccc4n3C)CC2)cc1OC COc1ccc(cc1OC)[*:1] Cn1c(cc2ccccc21)C(=O)NC1CC[NH+](CC1)C[*:1]
COc1ccc(C[NH+]2CCC(NC(=O)c3cc4ccccc4n3C)CC2)cc1OC Cn1c(cc2ccccc21)[*:1] COc1ccc(cc1OC)C[NH+]1CCC(CC1)NC(=O)[*:1]
COc1ccc(Cl)cc1NC(=O)OC(C)C CC(C)[*:1] COc1ccc(Cl)cc1NC(=O)O[*:1]
CCOC(=O)c1c(C2CC2)csc1NC(=O)/C=C/c1ccc(C)o1 Cc1ccc(o1)[*:1] CCOC(=O)c1c(csc1NC(=O)C=C[*:1])C1CC1
CCOC(=O)c1c(C2CC2)csc1NC(=O)/C=C/c1ccc(C)o1 C1CC1[*:1] CCOC(=O)c1c(csc1NC(=O)/C=C/c1ccc(C)o1)[*:1]
CCOC(=O)c1c(C2CC2)csc1NC(=O)/C=C/c1ccc(C)o1 CCOC(=O)[*:1] Cc1ccc(/C=C/C(=O)Nc2scc(c2[*:1])C2CC2)o1
CCOC(=O)c1c(C2CC2)csc1NC(=O)/C=C/c1ccc(C)o1 Cc1ccc(C=C[*:1])o1 CCOC(=O)c1c(csc1NC(=O)[*:1])C1CC1
COC[C@H](NC(=O)Nc1ccc(C)cc1)c1ccc(F)c(F)c1 COC[*:1] Cc1ccc(cc1)NC(=O)N[C@H](c1ccc(F)c(F)c1)[*:1]
COC[C@H](NC(=O)Nc1ccc(C)cc1)c1ccc(F)c(F)c1 Cc1ccc(cc1)[*:1] COC[C@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
COC(=O)c1ccc([C@@H](C)N(C)Cc2nc(-c3cccnc3)no2)o1 c1cncc(c1)[*:1] COC(=O)c1ccc(o1)[C@@H](C)N(C)Cc1nc(no1)[*:1]
COC(=O)c1ccc([C@@H](C)N(C)Cc2nc(-c3cccnc3)no2)o1 COC(=O)[*:1] C[C@H](c1ccc(o1)[*:1])N(C)Cc1nc(no1)-c1cccnc1
COCc1ccc(S(=O)(=O)CCc2ccc(C)cc2)cc1 COC[*:1] Cc1ccc(cc1)CCS(=O)(=O)c1ccc(cc1)[*:1]
COCc1ccc(S(=O)(=O)CCc2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COCc1ccc(cc1)S(=O)(=O)CC[*:1]
CC[NH2+][C@@H](C)c1ccn(CCn2cccn2)c1 c1cnn(c1)[*:1] CC[NH2+][C@@H](C)c1ccn(c1)CC[*:1]
Cc1cc(C(=O)Nc2cccc(Cl)c2)c2c(C)nn(-c3cccc(F)c3)c2n1 Fc1cccc(c1)[*:1] Cc1cc(C(=O)Nc2cccc(Cl)c2)c2c(C)nn(c2n1)[*:1]
Cc1cc(C(=O)Nc2cccc(Cl)c2)c2c(C)nn(-c3cccc(F)c3)c2n1 Clc1cccc(c1)[*:1] Cc1cc(C(=O)N[*:1])c2c(C)nn(-c3cccc(F)c3)c2n1
C[C@H](NC(=O)N1CC[NH+](/C=C/c2ccccc2)CC1)C(=O)[O-] c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CC[NH+](C=C[*:1])CC1)C(=O)[O-]
C[C@H](NC(=O)N1CC[NH+](/C=C/c2ccccc2)CC1)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)N1CC[NH+](/C=C/c2ccccc2)CC1)[*:1]
C[C@]1(C(=O)Nc2cccc(-n3cnnc3)c2)CC(c2ccccc2F)=NO1 c1nncn1[*:1] C[C@@]1(CC(=NO1)c1ccccc1F)C(=O)Nc1cccc(c1)[*:1]
C[C@]1(C(=O)Nc2cccc(-n3cnnc3)c2)CC(c2ccccc2F)=NO1 Fc1ccccc1[*:1] C[C@@]1(CC(=NO1)[*:1])C(=O)Nc1cccc(c1)-n1cnnc1
O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 Fc1cccc(c1)[*:1] O=C(N[C@@H]1C[C@@H]1[*:1])c1cccc(c1)S(=O)(=O)N1CCCCC1
O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(c1)[*:1]
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)n[nH]1 CCOC(=O)[*:1] O=S(=O)(c1cc([nH]n1)[*:1])N1CCN(CC1)c1ccccn1
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)n[nH]1 c1ccc(nc1)[*:1] CCOC(=O)c1cc(n[nH]1)S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1Cl CC(C)[*:1] NC(=O)C1(CCOCC1)C[NH2+][C@H](c1ccccc1Cl)[*:1]
CC(C)[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1Cl NC(=O)[*:1] CC(C)[C@H]([NH2+]CC1(CCOCC1)[*:1])c1ccccc1Cl
CC(C)[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)[C@H]([NH2+]CC1(CCOCC1)C(N)=O)[*:1]
CC(C)[C@@H](C[NH2+][C@@H]1CCCC1(C)C)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](C[NH2+][C@@H]1CCCC1(C)C)[*:1]
CCOC[C@H]1CCN(C(=O)[C@@H](C)CCc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CCOC[C@H]1CCN(C1)C(=O)[C@@H](C)CC[*:1]
CCOC[C@H]1CCN(C(=O)[C@@H](C)CCc2cccc(F)c2)C1 CCO[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)[C@@H](C)CCc2cccc(F)c2)C1 CCOC[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N1CC[C@@H](C1)[*:1]
COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(C(C)=O)c3)C2=O)cc1 COc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(C(C)=O)c3)C2=O)cc1 CC(=O)[*:1] COc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(c2)[*:1])C1=O
COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(C(C)=O)c3)C2=O)cc1 CC(=O)c1cccc(c1)[*:1] COc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
CN(Cc1ccc(C#N)cc1)C(=O)C1CCC(c2ccccc2)CC1 N#Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)C1CCC(CC1)c1ccccc1
CN(Cc1ccc(C#N)cc1)C(=O)C1CCC(c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(Cc1ccc(C#N)cc1)C(=O)C1CCC(CC1)[*:1]
Cc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3Cc3ccc(CO)o3)n2)cc1 Cc1ccc(cc1)[*:1] OCc1ccc(CN2Cc3[nH+]c[nH]c3C[C@H]2c2nc(no2)[*:1])o1
Cc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3Cc3ccc(CO)o3)n2)cc1 OCc1ccc(C[*:1])o1 Cc1ccc(cc1)-c1noc(n1)[C@@H]1Cc2[nH]c[nH+]c2CN1[*:1]
Cc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3Cc3ccc(CO)o3)n2)cc1 OCc1ccc(o1)[*:1] Cc1ccc(cc1)-c1noc(n1)[C@@H]1Cc2[nH]c[nH+]c2CN1C[*:1]
COc1ccccc1NC(=O)[C@H](C)Sc1ccc(=O)n(-c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@H](C)Sc1ccc(=O)n(n1)[*:1]
COc1ccccc1NC(=O)[C@H](C)Sc1ccc(=O)n(-c2ccc(C)cc2)n1 COc1ccccc1[*:1] Cc1ccc(cc1)-n1nc(ccc1=O)S[C@@H](C)C(=O)N[*:1]
C[C@H]1CN(C(=O)NCCSCC(C)(C)O)c2ccccc21 CC(C)(O)C[*:1] C[C@H]1CN(C(=O)NCCS[*:1])c2ccccc21
C[C@H]1CN(C(=O)NCCSCC(C)(C)O)c2ccccc21 CC(C)(O)[*:1] C[C@H]1CN(C(=O)NCCSC[*:1])c2ccccc21
C[C@H]1CN(C(=O)NCCSCC(C)(C)O)c2ccccc21 CC(C)(O)CS[*:1] C[C@H]1CN(C(=O)NCC[*:1])c2ccccc21
C[C@H]1CN(C(=O)NCCSCC(C)(C)O)c2ccccc21 CC(C)(O)CSC[*:1] C[C@H]1CN(C(=O)NC[*:1])c2ccccc21
CNC(=O)NCC(=O)NCC[C@H]1C[C@H]2CC[C@@H]1C2 CNC(=O)N[*:1] O=C(C[*:1])NCC[C@H]1C[C@H]2CC[C@@H]1C2
CNC(=O)NCC(=O)NCC[C@H]1C[C@H]2CC[C@@H]1C2 CNC(=O)NC[*:1] O=C(NCC[C@H]1C[C@H]2CC[C@@H]1C2)[*:1]
COCCn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nc2cc(Cl)ccc2c1=O COC[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[*:1])C(=O)Nc1ccc2ccccc2c1
COCCn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nc2cc(Cl)ccc2c1=O c1ccc2cc(ccc2c1)[*:1] COCCn1c(nc2cc(Cl)ccc2c1=O)S[C@H](C)C(=O)N[*:1]
COCCn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nc2cc(Cl)ccc2c1=O COCC[*:1] C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1[*:1])C(=O)Nc1ccc2ccccc2c1
CO[C@@H](C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1)c1ccccc1 CO[C@@H](c1ccccc1)[*:1] O=C([C@@H]1CC12CCN(CC2)C(=O)[*:1])N1CCN(CC1)Cc1cccc(F)c1
CO[C@@H](C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(CC1)Cc1cccc(F)c1)[*:1]
CO[C@@H](C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1)c1ccccc1 Fc1cccc(c1)C[*:1] CO[C@@H](C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(CC1)[*:1])c1ccccc1
CO[C@@H](C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1)c1ccccc1 Fc1cccc(c1)[*:1] CO[C@@H](C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(CC1)C[*:1])c1ccccc1
COc1ccc(N)cc1NC(=O)c1ccccc1OCCC(C)C CC(C)CCO[*:1] COc1ccc(N)cc1NC(=O)c1ccccc1[*:1]
COc1ccc(N)cc1NC(=O)c1ccccc1OCCC(C)C CC(C)[*:1] COc1ccc(N)cc1NC(=O)c1ccccc1OCC[*:1]
COc1ccc(N)cc1NC(=O)c1ccccc1OCCC(C)C CC(C)CC[*:1] COc1ccc(N)cc1NC(=O)c1ccccc1O[*:1]
COc1ccc(N)cc1NC(=O)c1ccccc1OCCC(C)C CC(C)C[*:1] COc1ccc(N)cc1NC(=O)c1ccccc1OC[*:1]
Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC2CC2)C1 Cc1ccccc1[*:1] C[C@@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)[*:1]
Nc1c(NC23CC4CC(CC(C4)C2)C3)ncnc1N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Nc1c(ncnc1N1CCN(CC1)[*:1])NC12CC3CC(CC(C3)C1)C2
CN(C)c1cccc(CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)[nH+]1 CN(C)[*:1] O=C(NCc1cccc([nH+]1)[*:1])[C@@H]1CCCN(C1)c1cnccn1
CN(C)c1cccc(CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)[nH+]1 c1cnc(cn1)[*:1] CN(C)c1cccc(CNC(=O)[C@@H]2CCCN(C2)[*:1])[nH+]1
C[C@H](C(=O)NCCc1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 c1ccc(cc1)C[*:1] C[C@H](C(=O)NC[*:1])N1CC[C@@H](C1)C[NH+]1CCCCC1
C[C@H](C(=O)NCCc1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 c1ccc(cc1)[*:1] C[C@H](C(=O)NCC[*:1])N1CC[C@@H](C1)C[NH+]1CCCCC1
C[C@H](C(=O)NCCc1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 c1ccc(cc1)CC[*:1] C[C@H](C(=O)N[*:1])N1CC[C@@H](C1)C[NH+]1CCCCC1
O=Cc1ccc(OCC(=O)NCC2(c3ccccc3)CC2)c(Br)c1 c1ccc(cc1)[*:1] O=Cc1ccc(OCC(=O)NCC2(CC2)[*:1])c(Br)c1
CC(C)[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1)[NH+]1CCCCC1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](C(=O)NC[C@@](C)(O)[*:1])[NH+]1CCCCC1
CC(C)[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1)[NH+]1CCCCC1 CC(C)[*:1] C[C@@](O)(CNC(=O)[C@@H]([NH+]1CCCCC1)[*:1])c1ccc(F)cc1
CC(C)(CNC(=O)NCCNC(=O)c1ccc(Cl)cc1)C(N)=O CC(C)(C[*:1])C(N)=O O=C(NCCNC(=O)c1ccc(Cl)cc1)N[*:1]
CC(C)(CNC(=O)NCCNC(=O)c1ccc(Cl)cc1)C(N)=O NC(=O)[*:1] CC(C)(CNC(=O)NCCNC(=O)c1ccc(Cl)cc1)[*:1]
CC(C)(CNC(=O)NCCNC(=O)c1ccc(Cl)cc1)C(N)=O CC(C)(C(N)=O)[*:1] O=C(NCCNC(=O)c1ccc(Cl)cc1)NC[*:1]
CC(C)(CNC(=O)NCCNC(=O)c1ccc(Cl)cc1)C(N)=O Clc1ccc(cc1)[*:1] CC(C)(CNC(=O)NCCNC(=O)[*:1])C(N)=O
CN(C)C(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 CN(C)C(=O)[*:1] O=[N+]([O-])c1cc(cc(c1Cl)[N+](=O)[O-])[*:1]
CN(C)C(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(C)C(=O)c1cc(c(Cl)c(c1)[*:1])[N+](=O)[O-]
Cc1ccccc1[C@H]1C[C@H]1C(=O)O[C@@H]1CC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] Cc1ccccc1[C@H]1C[C@H]1C(=O)O[C@@H]1CC[C@H](C1)[*:1]
Cc1ccccc1[C@H]1C[C@H]1C(=O)O[C@@H]1CC[C@H](S(C)(=O)=O)C1 Cc1ccccc1[*:1] CS(=O)(=O)[C@H]1CC[C@H](C1)OC(=O)[C@@H]1C[C@@H]1[*:1]
O=C1COc2ccccc2N1Cc1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] O=C1COc2ccccc2N1Cc1noc(n1)[*:1]
CCN(C(=O)Nc1cc(-c2ccccc2)on1)[C@H](C)CS(C)(=O)=O c1ccc(cc1)[*:1] CCN(C(=O)Nc1cc(on1)[*:1])[C@H](C)CS(C)(=O)=O
CCN(C(=O)Nc1cc(-c2ccccc2)on1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(C(=O)Nc1cc(on1)-c1ccccc1)[C@H](C)[*:1]
CCN(C(=O)Nc1cc(-c2ccccc2)on1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(C(=O)Nc1cc(on1)-c1ccccc1)[C@H](C)C[*:1]
CC[C@@H](CCO)C[NH2+]Cc1nc(C)c(C)o1 OCC[*:1] CC[C@@H](C[NH2+]Cc1nc(C)c(C)o1)[*:1]
COCCn1c(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)cc2ccccc21 COCC[*:1] C[C@H]1CN(C(=O)c2cc3ccccc3n2[*:1])c2ccc(F)cc2O1
COCCn1c(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)cc2ccccc21 COC[*:1] C[C@H]1CN(C(=O)c2cc3ccccc3n2C[*:1])c2ccc(F)cc2O1
CC(C)(C)n1ccnc(N(CC(=O)[O-])CC(F)(F)F)c1=O FC(F)(F)C[*:1] CC(C)(C)n1ccnc(c1=O)N(CC(=O)[O-])[*:1]
CC(C)(C)n1ccnc(N(CC(=O)[O-])CC(F)(F)F)c1=O CC(C)(C)[*:1] O=C([O-])CN(CC(F)(F)F)c1nccn(c1=O)[*:1]
CC(C)(C)n1ccnc(N(CC(=O)[O-])CC(F)(F)F)c1=O FC(F)(F)[*:1] CC(C)(C)n1ccnc(c1=O)N(CC(=O)[O-])C[*:1]
CC(C)(C)n1ccnc(N(CC(=O)[O-])CC(F)(F)F)c1=O O=C([O-])C[*:1] CC(C)(C)n1ccnc(c1=O)N(CC(F)(F)F)[*:1]
CC(C)(C)n1ccnc(N(CC(=O)[O-])CC(F)(F)F)c1=O O=C([O-])[*:1] CC(C)(C)n1ccnc(c1=O)N(CC(F)(F)F)C[*:1]
CCC1(CC)NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O Fc1ccc(cc1)[*:1] CCC1(CC)NC(=O)N(Cc2ncc(o2)[*:1])C1=O
O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@@H]1CCCc2ccc(F)cc21 Fc1cc(ccc1Cl)[*:1] O=C(N[C@@H]1CCCc2ccc(F)cc21)C(=O)N[*:1]
Cn1cnnc1Sc1ccc(-c2c(C#N)c(N)nc3c2C[C@@H]([NH3+])CC3)o1 Cn1cnnc1[*:1] N#Cc1c(N)nc2CC[C@H]([NH3+])Cc2c1-c1ccc(o1)S[*:1]
Cn1cnnc1Sc1ccc(-c2c(C#N)c(N)nc3c2C[C@@H]([NH3+])CC3)o1 Cn1cnnc1S[*:1] N#Cc1c(N)nc2CC[C@H]([NH3+])Cc2c1-c1ccc(o1)[*:1]
N#C/C(=C\c1ccc(-c2ccccc2Br)o1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1ccc(o1)-c1ccccc1Br)C(=O)NC[*:1]
N#C/C(=C\c1ccc(-c2ccccc2Br)o1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] N#C/C(=C\c1ccc(o1)-c1ccccc1Br)C(=O)N[*:1]
N#C/C(=C\c1ccc(-c2ccccc2Br)o1)C(=O)NCc1ccccc1 Brc1ccccc1[*:1] N#C/C(=C\c1ccc(o1)[*:1])C(=O)NCc1ccccc1
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)[*:1]
Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1oc(cc1C(=O)N[C@H]1CCC[C@@H]1C[*:1])S(N)(=O)=O
Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 NS(=O)(=O)[*:1] Cc1oc(cc1C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1)[*:1]
Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1oc(cc1C(=O)N[C@H]1CCC[C@H]1[*:1])S(N)(=O)=O
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1cccc(-c3nnco3)c1)C2=O c1nnc(o1)[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
COc1cccc(CN2C(=O)c3cc(C4CC4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1 C1CC1[*:1] COc1cccc(c1)CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)NC1CCCCCC1)[*:1]
COc1cccc(CN2C(=O)c3cc(C4CC4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1 COc1cccc(c1)[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1C[*:1])C1CC1)C(=O)NC1CCCCCC1
COc1cccc(CN2C(=O)c3cc(C4CC4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1 COc1cccc(c1)C[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1[*:1])C1CC1)C(=O)NC1CCCCCC1
COc1cccc(CN2C(=O)c3cc(C4CC4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1 O=C(NC1CCCCCC1)[*:1] COc1cccc(c1)CN1C(=O)c2cc(nn2C[C@@]1(C)[*:1])C1CC1
COc1cccc(CN2C(=O)c3cc(C4CC4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1 C1CCCC(CC1)[*:1] COc1cccc(c1)CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)N[*:1])C1CC1
Cc1c(NC(=O)c2ccc(C#N)cn2)cccc1N1CCOC1=O N#Cc1ccc(nc1)[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)[*:1]
Cc1c(NC(=O)c2ccc(C#N)cn2)cccc1N1CCOC1=O O=C1OCCN1[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(C#N)cn1
CCCC(=O)N1CSC[C@H]1C(=O)NCC(C)(C)c1ccccc1 CCC[*:1] CC(C)(CNC(=O)[C@@H]1CSCN1C(=O)[*:1])c1ccccc1
CCCC(=O)N1CSC[C@H]1C(=O)NCC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CCCC(=O)N1CSC[C@H]1C(=O)NCC(C)(C)[*:1]
CC(C)c1nc(S(=O)(=O)NCc2cccc(C#N)c2)c[nH]1 CC(C)[*:1] N#Cc1cccc(c1)CNS(=O)(=O)c1c[nH]c(n1)[*:1]
COc1ccc2cc(-c3ccc(C(=O)Nc4ccc5[nH]ccc5c4)cc3)c(=O)oc2c1 c1cc2cc(ccc2[nH]1)[*:1] COc1ccc2cc(-c3ccc(cc3)C(=O)N[*:1])c(=O)oc2c1
N#CCc1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 N#CC[*:1] O=C(Cc1csc(n1)-c1cccc(F)c1)Nc1ccc(cc1)[*:1]
N#CCc1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 Fc1cccc(c1)[*:1] N#CCc1ccc(cc1)NC(=O)Cc1csc(n1)[*:1]
CCc1ccc2c(c1)OCCOCCOc1ccc(C(C)=O)cc1OCCOCCO2 CC(=O)[*:1] CCc1ccc2OCCOCCOc3cc(ccc3OCCOCCOc2c1)[*:1]
Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)cs1 Cc1cc(cs1)[*:1] CC(C)[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)[*:1]
Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)cs1 O=C([O-])[*:1] Cc1cc(cs1)C(=O)N1C[C@@H](C(C)C)[C@H](C1)[*:1]
Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)cs1 CC(C)[*:1] Cc1cc(cs1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C1)[*:1]
CNC(=O)c1ccc(NC(=O)NCC(C)(C)CC(C)C)c(Cl)c1 CC(C)CC(C)(C)[*:1] CNC(=O)c1ccc(NC(=O)NC[*:1])c(Cl)c1
CNC(=O)c1ccc(NC(=O)NCC(C)(C)CC(C)C)c(Cl)c1 CC(C)C[*:1] CNC(=O)c1ccc(NC(=O)NCC(C)(C)[*:1])c(Cl)c1
CNC(=O)c1ccc(NC(=O)NCC(C)(C)CC(C)C)c(Cl)c1 CC(C)[*:1] CNC(=O)c1ccc(NC(=O)NCC(C)(C)C[*:1])c(Cl)c1
CNC(=O)c1ccc(NC(=O)NCC(C)(C)CC(C)C)c(Cl)c1 CNC(=O)[*:1] CC(C)CC(C)(C)CNC(=O)Nc1ccc(cc1Cl)[*:1]
O=C(Cc1ccccc1)NNC(=O)c1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] O=C(C[*:1])NNC(=O)c1ccc(Cl)c(Cl)c1
O=C(Cc1ccccc1)NNC(=O)c1ccc(Cl)c(Cl)c1 c1ccc(cc1)C[*:1] O=C(NNC(=O)[*:1])c1ccc(Cl)c(Cl)c1
O=c1c2ccc(C(F)(F)F)cc2ncn1C[C@@H]1[NH+]=c2ccc(Cl)cc2=[NH+]1 FC(F)(F)[*:1] O=c1c2ccc(cc2ncn1C[C@@H]1[NH+]=c2ccc(Cl)cc2=[NH+]1)[*:1]
CN(Cc1ccc(F)c(F)c1)C(=O)[C@](C)(N)C(F)(F)F FC(F)(F)[*:1] CN(Cc1ccc(F)c(F)c1)C(=O)[C@](C)(N)[*:1]
O=C1/C(=C/N[C@@H]2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1/C(=C/N[C@@H]2CCS(=O)(=O)C2)c2ccccc2C(=O)N1[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC O=[N+]([O-])[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(ccc1OC)[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H](C)Cn1cncn1 c1ncn(C[*:1])n1 COc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H](C)[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H](C)Cn1cncn1 COc1ccccc1[*:1] C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@H]1[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H](C)Cn1cncn1 c1ncn(n1)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H](C)C[*:1]
CC[C@H](CSC)N(C)C(=O)Cn1nc2n(c1=O)CCCCC2 CSC[*:1] CC[C@H](N(C)C(=O)Cn1nc2CCCCCn2c1=O)[*:1]
CCC[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 CCC[C@@H](C)[*:1] O=C(N[C@H](c1ccc(F)cc1)c1cccs1)[*:1]
CCC[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] CCC[C@@H](C)C(=O)N[C@H](c1cccs1)[*:1]
CCC[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 CCC[*:1] C[C@@H](C(=O)N[C@H](c1ccc(F)cc1)c1cccs1)[*:1]
CCC[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] CCC[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1)[*:1]
Cc1ccc(C)c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)c1 Brc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1ccc(C)c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc(Br)cc1
Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)c3ccc(C)s3)CCNC2=O)cc1 Cc1ccc(s1)[*:1] Cc1ccc(cc1)-c1ccccc1C[C@@H]1CN(CCNC1=O)C(=O)[*:1]
Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)c3ccc(C)s3)CCNC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)N1CCNC(=O)[C@H](Cc2ccccc2[*:1])C1
CC(=O)NC(=O)c1ccc(-c2cc(N)ccc2C)o1 CC(=O)NC(=O)[*:1] Cc1ccc(N)cc1-c1ccc(o1)[*:1]
CC(C)n1ccc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)n1 CC(C)n1ccc(n1)[*:1] O=C(Nc1nc2c(cc3CCc4cccc2c43)s1)[*:1]
CC(C)n1ccc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)n1 CC(C)[*:1] O=C(Nc1nc2c(cc3CCc4cccc2c43)s1)c1ccn(n1)[*:1]
CC(C)[C@](C)(O)CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC(C)[C@](C)(O)CNC(=O)N[C@H]1CCN(C1)[*:1]
CC(C)[C@](C)(O)CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 CC(C)[*:1] C[C@](O)(CNC(=O)N[C@H]1CCN(C1)c1cccc(Cl)c1)[*:1]
COc1ccc(F)cc1CS(=O)(=O)Cc1ccccc1C Cc1ccccc1[*:1] COc1ccc(F)cc1CS(=O)(=O)C[*:1]
CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)S1 O=[N+]([O-])[*:1] CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(o2)-c2ccc(C)c(c2)[*:1])S1
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)OCC2CC2)c1 Cc1cnn(c1)[*:1] C[C@@H](OCC1CC1)C(=O)N1CCCC[C@H]1C[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)OCC2CC2)c1 C1CC1C[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)[C@@H](C)O[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)OCC2CC2)c1 C1CC1[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)[C@@H](C)OC[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)OCC2CC2)c1 Cc1cnn(c1)C[*:1] C[C@@H](OCC1CC1)C(=O)N1CCCC[C@H]1[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)OCC2CC2)c1 C1CC1CO[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)[C@@H](C)[*:1]
Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)OCC2CC2)c1 C[C@@H](OCC1CC1)[*:1] Cc1cnn(c1)C[C@@H]1CCCCN1C(=O)[*:1]
CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(Cl)c(F)c2)c1 Fc1cc(ccc1Cl)[*:1] CC[C@@H](C#N)Oc1cccc(c1)CNC(=O)N[*:1]
CCOc1ccc(C=O)cc1[C@H](C)CC CCO[*:1] CC[C@@H](C)c1cc(C=O)ccc1[*:1]
CCOc1ccc(C=O)cc1[C@H](C)CC CC[C@@H](C)[*:1] CCOc1ccc(C=O)cc1[*:1]
CNC(=O)NCCOc1ccc(Cl)cc1 CNC(=O)N[*:1] Clc1ccc(cc1)OCC[*:1]
Cc1nc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cs1 Cc1nc(cs1)[*:1] O=C1C[C@H](CN1Cc1ccccc1Cl)NC(=O)[*:1]
Cc1nc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cs1 Clc1ccccc1[*:1] Cc1nc(cs1)C(=O)N[C@@H]1CC(=O)N(C1)C[*:1]
CCOc1ccc(C[NH2+]C2CCN(C(=O)CC)CC2)cc1F CCO[*:1] CCC(=O)N1CCC(CC1)[NH2+]Cc1ccc(c(F)c1)[*:1]
C=CCOCCCC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 C=CCO[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)CCC[*:1]
C=CCOCCCC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 C=CCOCCC[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)[*:1]
C=CCOCCCC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 C=CCOCC[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)C[*:1]
C=CCOCCCC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 C=CC[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)CCCO[*:1]
C=CCOCCCC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 C=CCOC[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)CC[*:1]
CCC1(CNC(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)CC1 CCC1(CC1)C[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)N[*:1]
CCC1(CNC(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)CC1 CCC1(CC1)[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)NC[*:1]
CCC1(CNC(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)CC1 CC(C)NC(=O)[*:1] CCC1(CC1)CNC(=O)Nc1ccc(c(C)c1)[*:1]
CCC1(CNC(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)CC1 CC(C)[*:1] CCC1(CC1)CNC(=O)Nc1ccc(C(=O)N[*:1])c(C)c1
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1csc(COc2ccc(Cl)cc2)n1 NC(=O)[*:1] C[C@@H]1CC[C@H](CN1C(=O)c1csc(COc2ccc(Cl)cc2)n1)[*:1]
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1csc(COc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] C[C@@H]1CC[C@@H](CN1C(=O)c1csc(CO[*:1])n1)C(N)=O
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1csc(COc2ccc(Cl)cc2)n1 Clc1ccc(cc1)O[*:1] C[C@@H]1CC[C@@H](CN1C(=O)c1csc(C[*:1])n1)C(N)=O
CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(C2CC2)nc2onc(C)c12 CNC(=O)[*:1] Cc1noc2nc(cc(C(=O)N3CCCC[C@H]3[*:1])c12)C1CC1
CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(C2CC2)nc2onc(C)c12 C1CC1[*:1] CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(nc2onc(C)c12)[*:1]
Cc1c(C(=O)NC[C@@H](C(C)C)N2CCOCC2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1C(C)C)C(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1c(C(=O)NC[C@@H](C(C)C)N2CCOCC2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@@H](C(C)C)N1CCOCC1
Cc1c(C(=O)NC[C@@H](C(C)C)N2CCOCC2)cnn1C(C)C C1CN(CCO1)[*:1] Cc1c(cnn1C(C)C)C(=O)NC[C@@H](C(C)C)[*:1]
Cc1nc2cc(C(=O)Nc3nccs3)ccc2n1[C@H]1CCS(=O)(=O)C1 c1csc(n1)[*:1] Cc1nc2cc(ccc2n1[C@H]1CCS(=O)(=O)C1)C(=O)N[*:1]
Cc1nc2cc(C(=O)Nc3nccs3)ccc2n1[C@H]1CCS(=O)(=O)C1 O=C(Nc1nccs1)[*:1] Cc1nc2cc(ccc2n1[C@H]1CCS(=O)(=O)C1)[*:1]
C#Cc1cccc(N(C(=O)c2cccc(CN3CCCC3=O)c2)C(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(C(=O)c1cccc(c1)CN1CCCC1=O)[*:1]
C#Cc1cccc(N(C(=O)c2cccc(CN3CCCC3=O)c2)C(C)C)c1 C#Cc1cccc(c1)[*:1] CC(C)N(C(=O)c1cccc(c1)CN1CCCC1=O)[*:1]
C#Cc1cccc(N(C(=O)c2cccc(CN3CCCC3=O)c2)C(C)C)c1 O=C1CCCN1[*:1] C#Cc1cccc(c1)N(C(=O)c1cccc(c1)C[*:1])C(C)C
C#Cc1cccc(N(C(=O)c2cccc(CN3CCCC3=O)c2)C(C)C)c1 O=C1CCCN1C[*:1] C#Cc1cccc(c1)N(C(=O)c1cccc(c1)[*:1])C(C)C
CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1C[*:1]
CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C)cc1 CCCC[*:1] Cc1ccc(cc1)[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
O/C(=N\CC[NH2+][C@@H]1CCSc2ccc(F)cc21)c1ncccc1O Oc1cccnc1[*:1] O/C(=N\CC[NH2+][C@@H]1CCSc2ccc(F)cc21)[*:1]
O=C(Cn1cnc2nc(N3CCSCC3)sc2c1=O)Nc1cccc(Cl)c1 C1CN(CCS1)[*:1] O=C(Cn1cnc2nc(sc2c1=O)[*:1])Nc1cccc(Cl)c1
O=C(Cn1cnc2nc(N3CCSCC3)sc2c1=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cn1cnc2nc(sc2c1=O)N1CCSCC1)N[*:1]
C[C@@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)c1nc[nH]n1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1nc[nH]n1
CCN(CCC#N)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 O=S1(=O)CCN(CC1)[*:1] CCN(CCC#N)C(=O)Nc1cccc(c1)[*:1]
CCN(CCC#N)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 N#CCC[*:1] CCN(C(=O)Nc1cccc(c1)N1CCS(=O)(=O)CC1)[*:1]
CCN(CCC#N)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 N#CC[*:1] CCN(C[*:1])C(=O)Nc1cccc(c1)N1CCS(=O)(=O)CC1
CC[C@@H]1CC(=O)N(Cc2cc([N+](=O)[O-])ccc2N)C1 O=[N+]([O-])[*:1] CC[C@@H]1CC(=O)N(Cc2cc(ccc2N)[*:1])C1
N#Cc1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1 N#Cc1ccc(nc1)[*:1] c1cc(cc(c1)OCCN1CCOCC1)CN[*:1]
N#Cc1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1 C1CN(CCO1)CC[*:1] N#Cc1ccc(nc1)NCc1cccc(c1)O[*:1]
N#Cc1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1 C1CN(CCO1)[*:1] N#Cc1ccc(nc1)NCc1cccc(c1)OCC[*:1]
N#Cc1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1 C1CN(CCO1)C[*:1] N#Cc1ccc(nc1)NCc1cccc(c1)OC[*:1]
OCCn1nccc1C1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 c1cnc(cn1)[*:1] OCCn1nccc1C1CC[NH+](CC1)Cc1ccc(cc1)O[*:1]
OCCn1nccc1C1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 OCC[*:1] c1cnc(cn1)Oc1ccc(cc1)C[NH+]1CCC(CC1)c1ccnn1[*:1]
OCCn1nccc1C1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 OCCn1nccc1[*:1] c1cnc(cn1)Oc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
OCCn1nccc1C1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 c1cnc(cn1)O[*:1] OCCn1nccc1C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
COc1ccc(Oc2ncccc2NC(=O)NC[C@H]2CCCO2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)Nc1cccnc1O[*:1]
COc1cccc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)c1 CC(C)(C)[*:1] COc1cccc(c1)CN(C)C(=O)c1c(C)nc([nH]c1=O)[*:1]
COc1cccc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)c1 COc1cccc(c1)[*:1] Cc1nc([nH]c(=O)c1C(=O)N(C)C[*:1])C(C)(C)C
CSC[C@H](C)NC(=O)N[C@@H](CCO)C(C)C OCC[*:1] CSC[C@H](C)NC(=O)N[C@@H](C(C)C)[*:1]
CSC[C@H](C)NC(=O)N[C@@H](CCO)C(C)C CSC[*:1] CC(C)[C@H](CCO)NC(=O)N[C@@H](C)[*:1]
CSC[C@H](C)NC(=O)N[C@@H](CCO)C(C)C CC(C)[*:1] CSC[C@H](C)NC(=O)N[C@@H](CCO)[*:1]
CSC[C@H](C)NC(=O)N[C@@H](CCO)C(C)C CSC[C@H](C)[*:1] CC(C)[C@H](CCO)NC(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1)c1nnc(s1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 O=C(Nc1ccccc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)c1nnc(s1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)c1nnc(s1)C(=O)N[*:1]
CN(CCc1ccccn1)C(=O)NC[C@@H]1CCCO1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)NC[C@@H]1CCCO1
CN(CCc1ccccn1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CN(CCc1ccccn1)C(=O)N[*:1]
CN(CCc1ccccn1)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CN(CCc1ccccn1)C(=O)NC[*:1]
CC(C)CCO[C@H]1CCCC[C@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2=O CC(C)CCO[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
CC(C)CCO[C@H]1CCCC[C@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2=O CC(C)[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)N[C@@H]1CCCC[C@@H]1OCC[*:1]
CC(C)CCO[C@H]1CCCC[C@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2=O CC(C)C[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)N[C@@H]1CCCC[C@@H]1OC[*:1]
CC(C)CCO[C@H]1CCCC[C@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2=O CC(C)CC[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
O=C1CNC(=O)N1CCSCc1nccn1C(F)F FC(F)[*:1] O=C1CNC(=O)N1CCSCc1nccn1[*:1]
COc1ccc2c(COC(=O)c3c(-c4ccccc4)noc3C)cc(=O)oc2c1 c1ccc(cc1)[*:1] COc1ccc2c(cc(=O)oc2c1)COC(=O)c1c(noc1C)[*:1]
Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccccc3C[C@@H](Cl)C#N)n2)cc1 Cc1ccc(cc1)[*:1] N#C[C@H](Cl)Cc1ccccc1C(=O)[C@@H](C#N)c1nc(cs1)[*:1]
COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ncccc1C Cc1cccnc1[*:1] COc1cc(C)c(Cl)cc1S(=O)(=O)N[*:1]
Cc1cccc(C)c1NC(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1 Cc1cccc(C)c1[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)-c1cncnc1
Cc1cccc(C)c1NC(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1 c1ncc(cn1)[*:1] Cc1cccc(C)c1NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CO[C@H](C)c1cccc(NC(=O)Nc2cnn(CCO)c2)c1 CO[C@H](C)[*:1] O=C(Nc1cccc(c1)[*:1])Nc1cnn(c1)CCO
CO[C@H](C)c1cccc(NC(=O)Nc2cnn(CCO)c2)c1 OCC[*:1] CO[C@H](C)c1cccc(c1)NC(=O)Nc1cnn(c1)[*:1]
CCCC(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 CCC[*:1] CN1C(=O)C(C)(C)COc2ccc(cc21)NC(=O)[*:1]
CCCC(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 CCCC(=O)N[*:1] CN1C(=O)C(C)(C)COc2ccc(cc21)[*:1]
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cnn(C2CCCCC2)c1 Cc1ccc(cc1)[*:1] CCN(C[C@H](O)[*:1])C(=O)c1cnn(c1)C1CCCCC1
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cnn(C2CCCCC2)c1 C1CCC(CC1)[*:1] CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cnn(c1)[*:1]
Cc1cc(N2C[C@H](C(=O)[O-])CC2=O)cc(C)c1Br O=C([O-])[*:1] Cc1cc(cc(C)c1Br)N1C[C@H](CC1=O)[*:1]
CN(CCc1ccccn1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1
CN(CCc1ccccn1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1
CN(CCc1ccccn1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1 c1ccc(CC[*:1])nc1 CN(C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1)[*:1]
CN(CCc1ccccn1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1 OC1CCC(CC1)[*:1] CN(CCc1ccccn1)C(=O)c1ccc2c(c1)[nH]c(=O)n2[*:1]
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)/C=C/c1cccs1 c1csc(c1)[*:1] Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C=C[*:1]
N#CCOc1cccc(CC(=O)N2CC[C@@H](O)C2)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])N1CC[C@@H](O)C1
N#CCOc1cccc(CC(=O)N2CC[C@@H](O)C2)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])N1CC[C@@H](O)C1
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(C(=O)NC)cc2)C12CCCCC2 CCO[*:1] CNC(=O)c1ccc(cc1)CNC(=O)N[C@@H]1C[C@H](C12CCCCC2)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(C(=O)NC)cc2)C12CCCCC2 CNC(=O)[*:1] CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(cc2)[*:1])C12CCCCC2
O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N1CCN(CC1)[*:1]
COC(=O)c1cc(C)ccc1OCC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1cc(C)ccc1OCC(=O)NC[*:1]
COC(=O)c1cc(C)ccc1OCC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COC(=O)c1cc(C)ccc1OCC(=O)N[*:1]
COC(=O)c1cc(C)ccc1OCC(=O)NCc1ccc(F)cc1 COC(=O)[*:1] Cc1ccc(OCC(=O)NCc2ccc(F)cc2)c(c1)[*:1]
O=[N+]([O-])c1cccc(OC/C=C/CS)c1 SC/C=C/C[*:1] O=[N+]([O-])c1cccc(c1)O[*:1]
O=[N+]([O-])c1cccc(OC/C=C/CS)c1 O=[N+]([O-])[*:1] SC/C=C/COc1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(OC/C=C/CS)c1 SCC=C[*:1] O=[N+]([O-])c1cccc(c1)OC[*:1]
C[NH2+][C@H](COC)CSc1ccccc1Br COC[*:1] C[NH2+][C@H](CSc1ccccc1Br)[*:1]
O=C(NCc1cccc(OCC(F)F)n1)N1CCC([NH+]2CCCC2)CC1 FC(F)C[*:1] O=C(NCc1cccc(n1)O[*:1])N1CCC(CC1)[NH+]1CCCC1
O=C(NCc1cccc(OCC(F)F)n1)N1CCC([NH+]2CCCC2)CC1 FC(F)CO[*:1] O=C(NCc1cccc(n1)[*:1])N1CCC(CC1)[NH+]1CCCC1
O=C(NCc1cccc(OCC(F)F)n1)N1CCC([NH+]2CCCC2)CC1 FC(F)[*:1] O=C(NCc1cccc(n1)OC[*:1])N1CCC(CC1)[NH+]1CCCC1
CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)c(Br)c1 c1cc(c2nsnc2c1)[*:1] Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)[*:1])c(Br)c1
Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C(N[*:1])[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12
Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[*:1])C1
Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)o1 Cc1ccc(o1)[C@H](C)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CCN2CCOCC2)C1
Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)o1 C1CN(CCO1)CC[*:1] Cc1ccc(o1)[C@H](C)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)o1 C1CN(CCO1)C[*:1] Cc1ccc(o1)[C@H](C)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[*:1]
O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN1C(=O)[*:1]
O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl Fc1cc(Cl)ccc1[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl
CCOCCC(=O)N(Cc1ccccc1)C(C)C CCOCC[*:1] CC(C)N(Cc1ccccc1)C(=O)[*:1]
CCOCCC(=O)N(Cc1ccccc1)C(C)C CCO[*:1] CC(C)N(Cc1ccccc1)C(=O)CC[*:1]
CCOCCC(=O)N(Cc1ccccc1)C(C)C CCOC[*:1] CC(C)N(Cc1ccccc1)C(=O)C[*:1]
CCOCCC(=O)N(Cc1ccccc1)C(C)C CC(C)[*:1] CCOCCC(=O)N(Cc1ccccc1)[*:1]
CCOCCC(=O)N(Cc1ccccc1)C(C)C c1ccc(cc1)[*:1] CCOCCC(=O)N(C[*:1])C(C)C
CC(C)(C)OC(=O)N1CCCN(C(=O)[C@@H]2CCCS2)c2ccccc21 CC(C)(C)[*:1] O=C(O[*:1])N1CCCN(C(=O)[C@@H]2CCCS2)c2ccccc21
CC(C)(C)Oc1cc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)ccn1 CC(C)(C)[*:1] O=C(NCc1ccnc(c1)O[*:1])[C@H]1CN(CCO1)Cc1ccccc1
CC(C)(C)Oc1cc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)ccn1 CC(C)(C)O[*:1] O=C(NCc1ccnc(c1)[*:1])[C@H]1CN(CCO1)Cc1ccccc1
CC(C)(C)Oc1cc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)ccn1 c1ccc(cc1)C[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)[C@H]1CN(CCO1)[*:1]
CC(C)(C)Oc1cc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)ccn1 c1ccc(cc1)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)[C@H]1CN(CCO1)C[*:1]
Cc1occc1C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1occc1C(=O)N[C@@H]1CCCCC[C@H]1[*:1]
Cc1occc1C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] Cc1occc1[*:1] O=C([O-])[C@H]1CCCCC[C@H]1NC(=O)[*:1]
COc1ccc2c(c1)C=C(C(=O)N1CCN(c3ccccc3O)CC1)CO2 Oc1ccccc1[*:1] COc1ccc2OCC(=Cc2c1)C(=O)N1CCN(CC1)[*:1]
CS(=O)(=O)c1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1Cl c1ccc2sc(nc2c1)[*:1] CS(=O)(=O)c1cc(ccc1Cl)C(=O)N1CCC(CC1)[*:1]
CS(=O)(=O)c1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1Cl CS(=O)(=O)[*:1] O=C(c1ccc(Cl)c(c1)[*:1])N1CCC(CC1)c1nc2ccccc2s1
COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(I)cc3)cc2C1=O COCC[*:1] O=C(Nc1ccc(I)cc1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(I)cc3)cc2C1=O COC[*:1] O=C(Nc1ccc(I)cc1)c1ccc2C(=O)N(CC[*:1])C(=O)c2c1
COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(I)cc3)cc2C1=O Ic1ccc(cc1)[*:1] COCCCN1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(I)cc3)cc2C1=O COCCC[*:1] O=C(Nc1ccc(I)cc1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 CC(=O)N[*:1] O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(cc1)[*:1])c1cccc(Cl)c1
CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=S(=O)([N-]c1nc2ccccc2nc1N[*:1])c1cccc(Cl)c1
CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)Nc1nc2ccccc2nc1[N-]S(=O)(=O)[*:1]
C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 O=C([O-])[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 O=[N+]([O-])[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c(c1)C(=O)[O-])[*:1]
N#CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#CCNC(=O)/C=C/c1ccccc1[*:1]
N#CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] N#CC[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])N[*:1]
CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@H](C)Oc1ccccc1C Cc1ccccc1[*:1] CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@H](C)O[*:1]
CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@H](C)Oc1ccccc1C c1cc(ccn1)[*:1] CC[C@@H](N(C)C(=O)NC[C@H](C)Oc1ccccc1C)[*:1]
CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@H](C)Oc1ccccc1C Cc1ccccc1O[*:1] CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@H](C)[*:1]
Cc1cccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)CNC(=O)c1nnn(c1-c1cccnc1)[*:1]
Cc1cccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)c1 Cc1cccc(c1)C[*:1] O=C(N[*:1])c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1
Cc1cccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)c1 c1cncc(c1)[*:1] Cc1cccc(c1)CNC(=O)c1nnn(-c2ccc(Cl)cc2)c1[*:1]
Cc1cccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1
COCCn1/c(=N/C(=O)c2ccc(Br)o2)sc2cccc(F)c21 Brc1ccc(o1)[*:1] COCCn1/c(=N/C(=O)[*:1])sc2cccc(F)c21
COCCn1/c(=N/C(=O)c2ccc(Br)o2)sc2cccc(F)c21 COCC[*:1] O=C(/N=c1\sc2cccc(F)c2n1[*:1])c1ccc(Br)o1
COCCn1/c(=N/C(=O)c2ccc(Br)o2)sc2cccc(F)c21 COC[*:1] O=C(/N=c1\sc2cccc(F)c2n1C[*:1])c1ccc(Br)o1
CC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 CC1CCN(CC1)C(=O)[*:1] O=S(=O)([N-]c1ccc(F)cc1)c1cc(ccc1Cl)[*:1]
CC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 Fc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1ccc(Cl)c(c1)S(=O)(=O)[N-][*:1]
COc1ccccc1CN1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1 COc1ccccc1C[*:1] O=C(NC1CCCCC1)c1cc(no1)[C@H]1CCCN(C1)[*:1]
COc1ccccc1CN1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1 C1CCC(CC1)[*:1] COc1ccccc1CN1CCC[C@@H](C1)c1cc(on1)C(=O)N[*:1]
COc1ccccc1CN1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1 O=C(NC1CCCCC1)[*:1] COc1ccccc1CN1CCC[C@@H](C1)c1cc(on1)[*:1]
COc1ccccc1CN1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1 COc1ccccc1[*:1] O=C(NC1CCCCC1)c1cc(no1)[C@H]1CCCN(C1)C[*:1]
N#Cc1cc(F)ccc1CN1CCOC[C@@H]1C1CC1 C1CC1[*:1] N#Cc1cc(F)ccc1CN1CCOC[C@H]1[*:1]
Cc1nc(C)c(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)s1 Cc1ccccc1[*:1] Cc1nc(C)c(s1)C(=O)N1C[C@@H](C[C@@H]1C)[*:1]
Cc1nc(C)c(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)s1 Cc1nc(C)c(s1)[*:1] Cc1ccccc1[C@H]1C[C@H](C)N(C1)C(=O)[*:1]
COc1ccccc1NC(=S)NNC(=O)c1ccccc1F Fc1ccccc1[*:1] COc1ccccc1NC(=S)NNC(=O)[*:1]
O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccc(Br)cc1 c1ccc2sc(nc2c1)[*:1] O=C(CCc1nc(CS[*:1])no1)Nc1ccc(Br)cc1
O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCc1nc(CSc2nc3ccccc3s2)no1)N[*:1]
[NH3+][C@H]1CCC[C@@H]([NH2+]CCOCC(F)(F)F)C1 FC(F)(F)[*:1] [NH3+][C@H]1CCC[C@H](C1)[NH2+]CCOC[*:1]
[NH3+][C@H]1CCC[C@@H]([NH2+]CCOCC(F)(F)F)C1 FC(F)(F)C[*:1] [NH3+][C@H]1CCC[C@H](C1)[NH2+]CCO[*:1]
CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 CCN(CC)S(=O)(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCO[C@@H]2CCCC[C@@H]21
Nc1ccc(SC[C@@H]2CCCO2)cc1F C1CO[C@@H](C1)[*:1] Nc1ccc(cc1F)SC[*:1]
C[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)N1CCc2ccccc21 CC(C)(C)[*:1] C[C@H](C[NH2+]C1CCN(CC1)C(=O)C[*:1])N1CCc2ccccc21
C[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)N1CCc2ccccc21 CC(C)(C)C[*:1] C[C@H](C[NH2+]C1CCN(CC1)C(=O)[*:1])N1CCc2ccccc21
CCC[C@@H]1C(=O)N[C@](C)(CC)C(=O)N1[C@@H](C)CC CC[C@H](C)[*:1] CCC[C@@H]1C(=O)N[C@](C)(CC)C(=O)N1[*:1]
CCC[C@@H]1C(=O)N[C@](C)(CC)C(=O)N1[C@@H](C)CC CCC[*:1] CC[C@H](C)N1C(=O)[C@@](C)(CC)NC(=O)[C@H]1[*:1]
O=C(c1ccc(F)cc1F)C1CCCC1 C1CCC(C1)[*:1] O=C(c1ccc(F)cc1F)[*:1]
COc1ccncc1NC(=O)/C=C/c1cnc(C(C)(C)C)s1 CC(C)(C)[*:1] COc1ccncc1NC(=O)/C=C/c1cnc(s1)[*:1]
CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 CC(C)[*:1] O=C(O[*:1])c1ccc(cc1)NC(=O)[C@H]1CCCO1
CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] CC(C)OC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 CC(C)OC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCO1
O=[N+]([O-])c1ccc(CN(CCO)CCO)cc1F O=[N+]([O-])[*:1] OCCN(CCO)Cc1ccc(c(F)c1)[*:1]
O=[N+]([O-])c1ccc(CN(CCO)CCO)cc1F OCC[*:1] O=[N+]([O-])c1ccc(cc1F)CN(CCO)[*:1]
CC(C)c1noc(CCC(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)n1 CC(C)c1noc(n1)[*:1] O=C(CC[*:1])N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F
CC(C)c1noc(CCC(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)n1 Fc1ccc(F)c(c1)[*:1] CC(C)c1noc(CCC(=O)N2C[C@@H](O)C[C@H]2[*:1])n1
CC(C)c1noc(CCC(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)n1 CC(C)[*:1] O=C(CCc1nc(no1)[*:1])N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F
Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3sccc3C#N)[C@H]2c2cccs2)cc1 N#Cc1ccsc1[*:1] Cc1ccc(cc1)N1C(=O)CC[C@H](C(=O)N[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3sccc3C#N)[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)CC[C@H](C(=O)Nc2sccc2C#N)[C@@H]1[*:1]
Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3sccc3C#N)[C@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccsc1NC(=O)[C@H]1CCC(=O)N([C@@H]1c1cccs1)[*:1]
CC[C@](C)([C@H]([NH2+]C)C1CCCC1)N1CCOCC1 C1CCC(C1)[*:1] CC[C@](C)([C@H]([NH2+]C)[*:1])N1CCOCC1
CC[C@](C)([C@H]([NH2+]C)C1CCCC1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@](C)([C@H]([NH2+]C)C1CCCC1)[*:1]
Nc1ccc(C(=O)N2Cc3[nH+]c[nH]c3C[C@H]2C(=O)[O-])cc1 O=C([O-])[*:1] Nc1ccc(cc1)C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1[*:1]
Nc1ccc(C(=O)N2Cc3[nH+]c[nH]c3C[C@H]2C(=O)[O-])cc1 Nc1ccc(cc1)[*:1] O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)[*:1]
CSCCCNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 CSCCC[*:1] O=c1[nH]c(nc2COc3ccccc3Cc21)N[*:1]
CSCCCNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 CSCCCN[*:1] O=c1[nH]c(nc2COc3ccccc3Cc21)[*:1]
CSCCCNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 CSCC[*:1] O=c1[nH]c(nc2COc3ccccc3Cc21)NC[*:1]
CSCCCNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 CSC[*:1] O=c1[nH]c(nc2COc3ccccc3Cc21)NCC[*:1]
COc1ccc([C@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC Fc1ccccc1[*:1] COc1ccc(c(OC)c1OC)[C@H]1CC(=O)N(C2CC(C)(C)CC(=O)C=21)[*:1]
COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2)c1OC c1ccc(cc1)[*:1] COc1cccc(c1OC)[C@H]1CC(=O)Nc2c1c(C)nn2[*:1]
C[C@@H]1CN([C@H](C(N)=O)c2ccccc2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CN([C@@H]1c1ccccc1)[C@H](C(N)=O)[*:1]
C[C@@H]1CN([C@H](C(N)=O)c2ccccc2)[C@@H]1c1ccccc1 NC(=O)[*:1] C[C@@H]1CN([C@@H]1c1ccccc1)[C@H](c1ccccc1)[*:1]
C[C@@H]1CN([C@H](C(N)=O)c2ccccc2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CN([C@H](C(N)=O)c2ccccc2)[C@H]1[*:1]
CN(C)C(=O)c1cccc(NC(=O)CN2C[C@H](c3ccccc3)OCC2(C)C)c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)CN1C[C@H](OCC1(C)C)[*:1]
CN(C)C(=O)c1cccc(NC(=O)CN2C[C@H](c3ccccc3)OCC2(C)C)c1 CN(C)C(=O)[*:1] CC1(C)CO[C@H](CN1CC(=O)Nc1cccc(c1)[*:1])c1ccccc1
COCCN(C[C@H]1C=c2cc(C)ccc2=[NH+]C1=O)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCN(C[C@H]1C=c2cc(C)ccc2=[NH+]C1=O)S(=O)(=O)[*:1]
COCCN(C[C@H]1C=c2cc(C)ccc2=[NH+]C1=O)S(=O)(=O)c1ccc(Cl)cc1 COCC[*:1] Cc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(S(=O)(=O)c1ccc(Cl)cc1)[*:1]
COCCN(C[C@H]1C=c2cc(C)ccc2=[NH+]C1=O)S(=O)(=O)c1ccc(Cl)cc1 COC[*:1] Cc1ccc2=[NH+]C(=O)[C@H](C=c2c1)CN(C[*:1])S(=O)(=O)c1ccc(Cl)cc1
Cc1cn2c(n1)N=C1[C@@H]2C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)N1C Clc1ccc(cc1Cl)[*:1] Cc1cn2c(N=C3[C@@H]2C(=O)N(C[*:1])C(=O)N3C)n1
CCc1nn(C)cc1C(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C(C)C CC(C)[*:1] CCc1nn(C)cc1C(=O)N1CSC[C@H]1C(=O)N[C@@H](C)[*:1]
CCc1nn(C)cc1C(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C(C)C CC(C)[C@H](C)[*:1] CCc1nn(C)cc1C(=O)N1CSC[C@H]1C(=O)N[*:1]
C[NH+](C)[C@H](CNC(=O)Nc1cccc(F)c1F)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1cccc(F)c1F)[*:1]
O=C(Cc1ccc(Cl)cc1)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1 Clc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)SCc1nc2ccccc2[nH]c1=O
O=C(Cc1ccc(Cl)cc1)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1 Clc1ccc(cc1)C[*:1] O=C(Nc1ccc(cc1)SCc1nc2ccccc2[nH]c1=O)[*:1]
O=C(CCc1ccccc1F)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(CCc1ccccc1F)N[*:1]
COc1cc(OC)cc(-c2ccc(C(C)=O)cc2)c1 CC(=O)[*:1] COc1cc(cc(c1)-c1ccc(cc1)[*:1])OC
CCN(Cc1ccoc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 c1cc(co1)[*:1] CCN(C[*:1])C(=O)N[C@H](c1cccc(c1)C(F)(F)F)C1CC1
CCN(Cc1ccoc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] CCN(Cc1ccoc1)C(=O)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
CCN(Cc1ccoc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] CCN(Cc1ccoc1)C(=O)N[C@H](c1cccc(c1)[*:1])C1CC1
CCN(Cc1ccoc1)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 c1cc(co1)C[*:1] CCN(C(=O)N[C@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
CC[C@H](C)[C@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C)[C@H](C(=O)Nc1cc(ccc1F)S(C)(=O)=O)[*:1]
CC[C@H](C)[C@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccccc1 CS(=O)(=O)[*:1] CC[C@H](C)[C@H](C(=O)Nc1cc(ccc1F)[*:1])c1ccccc1
CC[C@H](C)[C@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccccc1 CC[C@H](C)[*:1] CS(=O)(=O)c1ccc(F)c(c1)NC(=O)[C@H](c1ccccc1)[*:1]
COc1ccc(-c2n[nH]cc2C(=O)N(C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1n[nH]cc1C(=O)N(C)[*:1]
C[C@@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 c1ccc(nc1)[*:1] C[C@@H]([NH2+]Cc1cccc(c1)[*:1])c1ccc2NC(=O)C(C)(C)c2c1
CSCC[C@@H](O)[C@H]1CCOC2(CCSCC2)C1 CSC[*:1] O[C@H](C[*:1])[C@H]1CCOC2(CCSCC2)C1
CSCC[C@@H](O)[C@H]1CCOC2(CCSCC2)C1 CSCC[*:1] O[C@@H]([C@H]1CCOC2(CCSCC2)C1)[*:1]
COC(=O)c1sc2nc(CCl)nc(Cl)c2c1C COC(=O)[*:1] Cc1c(sc2nc(CCl)nc(Cl)c12)[*:1]
CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccs1 NC(=O)C[*:1] CC(=O)C1=C(C)NC(S[*:1])=C(C#N)[C@H]1c1cccs1
CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccs1 CC(=O)[*:1] CC1NC(SCC(N)=O)=C(C#N)[C@H](C=1[*:1])c1cccs1
CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccs1 NC(=O)[*:1] CC(=O)C1=C(C)NC(SC[*:1])=C(C#N)[C@H]1c1cccs1
CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccs1 c1csc(c1)[*:1] CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1[*:1]
CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccs1 NC(=O)CS[*:1] CC(=O)C1=C(C)NC(=C(C#N)[C@H]1c1cccs1)[*:1]
CCNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1 C1CC1[*:1] CCNC(=O)c1ccc(cc1)C[NH2+][C@H](c1ccccc1)[*:1]
CCNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1 c1ccc(cc1)[*:1] CCNC(=O)c1ccc(cc1)C[NH2+][C@H](C1CC1)[*:1]
CCNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1 CCNC(=O)[*:1] c1ccc(cc1)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])C1CC1
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCC2)cn1 C1CCN(CC1)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(cn1)[*:1]
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CC[NH+](Cc2ccccc2)CC1 O=[N+]([O-])[*:1] C[C@H](Oc1ccccc1[*:1])C(=O)N1CC[NH+](CC1)Cc1ccccc1
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CC[NH+](CC1)[*:1]
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CC[NH+](CC1)C[*:1]
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CC[NH+](Cc2ccccc2)CC1 O=[N+]([O-])c1ccccc1[*:1] C[C@H](O[*:1])C(=O)N1CC[NH+](CC1)Cc1ccccc1
COC(=O)[C@@H](C(C)C)[C@@](C)(O)c1ccc(C)c(F)c1 COC(=O)[*:1] Cc1ccc(cc1F)[C@](C)(O)[C@H](C(C)C)[*:1]
COC(=O)[C@@H](C(C)C)[C@@](C)(O)c1ccc(C)c(F)c1 CC(C)[*:1] COC(=O)[C@@H]([C@@](C)(O)c1ccc(C)c(F)c1)[*:1]
Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)[nH+]c2)on1 Cc1cc(on1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)[*:1]
O=C(Cc1ccc[nH]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 Clc1cccc(c1)[*:1] O=C(Cc1ccc[nH]1)NC[C@H]([NH+]1CCCC1)[*:1]
O=C(Cc1ccc[nH]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 c1c[nH]c(c1)[*:1] O=C(C[*:1])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1
O=C(Cc1ccc[nH]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 c1c[nH]c(c1)C[*:1] O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[*:1]
COCCOc1ccc(S(=O)(=O)Nc2ccc[nH]c2=O)cc1C O=c1[nH]cccc1[*:1] COCCOc1ccc(cc1C)S(=O)(=O)N[*:1]
COCCOc1ccc(S(=O)(=O)Nc2ccc[nH]c2=O)cc1C COCC[*:1] Cc1cc(ccc1O[*:1])S(=O)(=O)Nc1ccc[nH]c1=O
COCCOc1ccc(S(=O)(=O)Nc2ccc[nH]c2=O)cc1C COCCO[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)Nc1ccc[nH]c1=O
COCCOc1ccc(S(=O)(=O)Nc2ccc[nH]c2=O)cc1C COC[*:1] Cc1cc(ccc1OC[*:1])S(=O)(=O)Nc1ccc[nH]c1=O
CC(C)(C)NC(=O)NNc1ncccc1-n1cccc1 CC(C)(C)[*:1] O=C(NNc1ncccc1-n1cccc1)N[*:1]
CC(C)(C)NC(=O)NNc1ncccc1-n1cccc1 c1ccn(c1)[*:1] CC(C)(C)NC(=O)NNc1ncccc1[*:1]
Cc1cc(S[C@H](C(=O)NC2CC2)c2ccccc2)nc2ccccc12 O=C(NC1CC1)[*:1] Cc1cc(nc2ccccc12)S[C@H](c1ccccc1)[*:1]
Cc1cc(S[C@H](C(=O)NC2CC2)c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] Cc1cc(nc2ccccc12)S[C@H](C(=O)NC1CC1)[*:1]
Cc1cc(S[C@H](C(=O)NC2CC2)c2ccccc2)nc2ccccc12 C1CC1[*:1] Cc1cc(nc2ccccc12)S[C@H](C(=O)N[*:1])c1ccccc1
COCc1cccc(NC(=O)NC[C@@H](O)c2c(F)cccc2F)c1 Fc1cccc(F)c1[*:1] COCc1cccc(c1)NC(=O)NC[C@@H](O)[*:1]
COCc1cccc(NC(=O)NC[C@@H](O)c2c(F)cccc2F)c1 COC[*:1] O=C(NC[C@@H](O)c1c(F)cccc1F)Nc1cccc(c1)[*:1]
NC(=O)c1ccc(NCc2ccc(-n3cncn3)cc2)nn1 NC(=O)[*:1] c1ncn(n1)-c1ccc(cc1)CNc1ccc(nn1)[*:1]
NC(=O)c1ccc(NCc2ccc(-n3cncn3)cc2)nn1 c1ncn(n1)[*:1] NC(=O)c1ccc(nn1)NCc1ccc(cc1)[*:1]
CCc1nn(C)c(CC2(CC(C)C)C[NH2+]C2)c1Cl CC(C)C[*:1] CCc1nn(C)c(CC2(C[NH2+]C2)[*:1])c1Cl
CCc1nn(C)c(CC2(CC(C)C)C[NH2+]C2)c1Cl CC(C)[*:1] CCc1nn(C)c(CC2(C[NH2+]C2)C[*:1])c1Cl
O=S(=O)(Cc1ccccc1Cl)NCc1ccoc1 c1cc(co1)[*:1] O=S(=O)(Cc1ccccc1Cl)NC[*:1]
O=S(=O)(Cc1ccccc1Cl)NCc1ccoc1 c1cc(co1)C[*:1] O=S(=O)(Cc1ccccc1Cl)N[*:1]
CN(C(=O)c1cnc(-c2ccco2)s1)C1CCOCC1 c1coc(c1)[*:1] CN(C(=O)c1cnc(s1)[*:1])C1CCOCC1
CN(C(=O)c1cnc(-c2ccco2)s1)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)c1cnc(s1)-c1ccco1)[*:1]
CC[NH2+]C/C(C)=C/c1ccc([C@H]2C[C@H]2C)o1 C[C@@H]1C[C@@H]1[*:1] CC[NH2+]C/C(C)=C/c1ccc(o1)[*:1]
CC[NH2+]C[C@H]1CCO[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CC[NH2+]C[C@H]1CCO[C@@H]1c1ccc(cc1)[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CC2)no1 CC(C)(C)[*:1] Cc1cc(no1)NC(=O)CN1CCN(CC1)C(=O)c1cc2C[C@H](CCc2s1)[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CC2)no1 Cc1cc(no1)NC(=O)C[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)N1CCN(CC1)[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CC2)no1 Cc1cc(no1)[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1cc(NC(=O)CN2CCN(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CC2)no1 Cc1cc(no1)NC(=O)[*:1] CC(C)(C)[C@@H]1CCc2sc(cc2C1)C(=O)N1CCN(CC1)C[*:1]
Cn1nccc1CNC(=O)Cc1noc2ccccc12 Cn1nccc1[*:1] O=C(Cc1noc2ccccc12)NC[*:1]
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](Sc2ccc(C)c(C)c2)C1 O=C([O-])[*:1] C[NH2+][C@]1(CC[C@@H](C1)Sc1ccc(C)c(C)c1)[*:1]
O=C(Nc1ccc(Cl)c(F)c1)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])c1cc(ccc1Cl)[*:1] O=C(Nc1ccc(Cl)c(F)c1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1ccc(Cl)c(F)c1)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] O=C(Nc1ccc(Cl)c(F)c1)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
O=C(Nc1ccc(Cl)c(F)c1)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 Fc1cc(ccc1Cl)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-]
COc1cc(F)cc(NC(=O)N(Cc2ccccc2)[C@H](C)CCO)c1 c1ccc(cc1)C[*:1] COc1cc(F)cc(c1)NC(=O)N([C@H](C)CCO)[*:1]
COc1cc(F)cc(NC(=O)N(Cc2ccccc2)[C@H](C)CCO)c1 c1ccc(cc1)[*:1] COc1cc(F)cc(c1)NC(=O)N(C[*:1])[C@H](C)CCO
COc1cc(F)cc(NC(=O)N(Cc2ccccc2)[C@H](C)CCO)c1 OCC[*:1] COc1cc(F)cc(c1)NC(=O)N(Cc1ccccc1)[C@H](C)[*:1]
CC(C)[NH2+]C[C@@H](Cc1cccc(Cl)c1)Cc1nccs1 c1csc(n1)[*:1] CC(C)[NH2+]C[C@@H](Cc1cccc(Cl)c1)C[*:1]
CC(C)[NH2+]C[C@@H](Cc1cccc(Cl)c1)Cc1nccs1 c1csc(C[*:1])n1 CC(C)[NH2+]C[C@@H](Cc1cccc(Cl)c1)[*:1]
CC(C)[NH2+]C[C@@H](Cc1cccc(Cl)c1)Cc1nccs1 CC(C)[*:1] Clc1cccc(c1)C[C@H](C[NH2+][*:1])Cc1nccs1
O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 C1CC1[*:1] O=C(c1ccc(cc1)-c1ccccc1)[C@@H]1CCCN(C1)C(=O)c1cc(on1)[*:1]
O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 c1c(noc1C1CC1)[*:1] O=C(c1ccc(cc1)-c1ccccc1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)[*:1])[C@@H]1CCCN(C1)C(=O)c1cc(on1)C1CC1
CC(C)(O)C(=O)[C@H](O)c1ccccc1 CC(C)(O)[*:1] O=C([C@H](O)c1ccccc1)[*:1]
CSc1cccc(NCCC(C)(C)O)c1 CC(C)(O)C[*:1] CSc1cccc(c1)NC[*:1]
CSc1cccc(NCCC(C)(C)O)c1 CC(C)(O)[*:1] CSc1cccc(c1)NCC[*:1]
COc1ccc(Cl)cc1NC(=O)N(C)Cc1nccn1C(F)F FC(F)[*:1] COc1ccc(Cl)cc1NC(=O)N(C)Cc1nccn1[*:1]
O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1)[*:1] O=C1SC(=C[*:1])C(=O)N1c1ccc(Cl)c(Cl)c1
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCCN(C[*:1])C1=O
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O O=C([O-])[*:1] O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)[C@@H]1CC=CC[C@@H]1[*:1]
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCCN(C1=O)[*:1]
CCN1CCO[C@@H]([C@H]([NH3+])Cc2ccsc2)C1 c1cc(cs1)[*:1] CCN1CCO[C@H](C1)[C@H]([NH3+])C[*:1]
O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)N[C@@H]1CCN(C(=O)C2CCCC2)C1 C1CCC(C1)[*:1] O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)N[C@@H]1CCN(C1)C(=O)[*:1]
Cc1cc(OCC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)CO[*:1]
Cc1cc(OCC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)ccc1Br Clc1ccc(cc1)[*:1] Cc1cc(ccc1Br)OCC(=O)NNC(=O)C=C[*:1]
CCN(C)C(=O)c1cccc(OCC(=O)Nc2ccc(C)cc2Cl)c1 Cc1ccc(c(Cl)c1)[*:1] CCN(C)C(=O)c1cccc(c1)OCC(=O)N[*:1]
CCN(C)C(=O)c1cccc(OCC(=O)Nc2ccc(C)cc2Cl)c1 CCN(C)C(=O)[*:1] Cc1ccc(NC(=O)COc2cccc(c2)[*:1])c(Cl)c1
COC1CC[NH+](CCNC(=O)C(C)C)CC1 CC(C)[*:1] COC1CC[NH+](CCNC(=O)[*:1])CC1
CC(C)CCNC(=O)NNC(=O)COc1ccc(C#N)cc1 CC(C)CC[*:1] N#Cc1ccc(cc1)OCC(=O)NNC(=O)N[*:1]
CC(C)CCNC(=O)NNC(=O)COc1ccc(C#N)cc1 CC(C)C[*:1] N#Cc1ccc(cc1)OCC(=O)NNC(=O)NC[*:1]
CC(C)CCNC(=O)NNC(=O)COc1ccc(C#N)cc1 CC(C)[*:1] N#Cc1ccc(cc1)OCC(=O)NNC(=O)NCC[*:1]
CCNC(=O)CCSc1cc(OC)ccc1N CCNC(=O)[*:1] COc1ccc(N)c(c1)SCC[*:1]
CC[C@@H](Nc1ccn(C)n1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](Nc1ccn(C)n1)[*:1]
Cc1ccccc1-c1nc(N)n(C(=O)c2ccc(C(C)(C)C)cc2)n1 CC(C)(C)[*:1] Cc1ccccc1-c1nc(N)n(n1)C(=O)c1ccc(cc1)[*:1]
Cc1ccccc1-c1nc(N)n(C(=O)c2ccc(C(C)(C)C)cc2)n1 Cc1ccccc1[*:1] CC(C)(C)c1ccc(cc1)C(=O)n1nc(nc1N)[*:1]
C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Br)ccc1F N#Cc1cccc(c1)[*:1] C=CCN(C[*:1])S(=O)(=O)c1cc(Br)ccc1F
C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Br)ccc1F C=CC[*:1] N#Cc1cccc(c1)CN(S(=O)(=O)c1cc(Br)ccc1F)[*:1]
C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Br)ccc1F Fc1ccc(Br)cc1[*:1] C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)[*:1]
CN(CC(C)(C)O)C(=O)Cc1ccc(C(F)(F)F)cc1 CC(C)(O)C[*:1] CN(C(=O)Cc1ccc(cc1)C(F)(F)F)[*:1]
CN(CC(C)(C)O)C(=O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CN(CC(C)(C)O)C(=O)Cc1ccc(cc1)[*:1]
CN(CC(C)(C)O)C(=O)Cc1ccc(C(F)(F)F)cc1 CC(C)(O)[*:1] CN(C[*:1])C(=O)Cc1ccc(cc1)C(F)(F)F
CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)[C@@H]4CCCO4)nn3c(O)c2C1 CC(C)[*:1] O=C([C@@H]1CCCO1)N1CCCC[C@H]1c1cc2nc3CCN(Cc3c(O)n2n1)C(=O)[*:1]
CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)[C@@H]4CCCO4)nn3c(O)c2C1 C1CO[C@@H](C1)[*:1] CC(C)C(=O)N1CCc2nc3cc(nn3c(O)c2C1)[C@@H]1CCCCN1C(=O)[*:1]
Cc1c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cnn1-c1ccccc1Cl Clc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@@H](C1CC1)[NH+](C)C
Cc1c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cnn1-c1ccccc1Cl C1CC1[*:1] Cc1c(cnn1-c1ccccc1Cl)C(=O)NC[C@@H]([NH+](C)C)[*:1]
Clc1cc(NCc2noc(-c3ccccc3)n2)ccc1-n1cccn1 c1ccc(cc1)[*:1] Clc1cc(ccc1-n1cccn1)NCc1noc(n1)[*:1]
Clc1cc(NCc2noc(-c3ccccc3)n2)ccc1-n1cccn1 c1cnn(c1)[*:1] Clc1cc(ccc1[*:1])NCc1noc(n1)-c1ccccc1
Cc1cccc([C@@H](CCl)CCOC(C)C)c1 CC(C)[*:1] Cc1cccc(c1)[C@@H](CCl)CCO[*:1]
Cc1cccc([C@@H](CCl)CCOC(C)C)c1 CC(C)O[*:1] Cc1cccc(c1)[C@@H](CCl)CC[*:1]
Cc1cccc([C@@H](CCl)CCOC(C)C)c1 CC(C)OC[*:1] Cc1cccc(c1)[C@@H](CCl)C[*:1]
CS(=O)(=O)C[C@H](Br)Cc1cccc(F)c1F CS(=O)(=O)C[*:1] Fc1cccc(C[C@@H](Br)[*:1])c1F
CS(=O)(=O)C[C@H](Br)Cc1cccc(F)c1F CS(=O)(=O)[*:1] Fc1cccc(C[C@@H](Br)C[*:1])c1F
C/C=C(/C)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 CC=C(C)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc2nsnc12)[*:1]
CCN(Cc1ccc(Cl)s1)Cn1nnc(-c2ccccc2Cl)n1 Clc1ccc(C[*:1])s1 CCN(Cn1nnc(n1)-c1ccccc1Cl)[*:1]
CCN(Cc1ccc(Cl)s1)Cn1nnc(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] CCN(Cc1ccc(Cl)s1)Cn1nnc(n1)[*:1]
CCN(Cc1ccc(Cl)s1)Cn1nnc(-c2ccccc2Cl)n1 Clc1ccc(s1)[*:1] CCN(Cn1nnc(n1)-c1ccccc1Cl)C[*:1]
Cc1cc(C[NH+]2CCC(c3ccnn3CCO)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] OCCn1nccc1C1CC[NH+](CC1)C[*:1]
Cc1cc(C[NH+]2CCC(c3ccnn3CCO)CC2)c(C)o1 OCC[*:1] Cc1cc(C[NH+]2CCC(CC2)c2ccnn2[*:1])c(C)o1
O=C1OC2(CCN(C(=O)c3cnn4ccccc34)CC2)CN1CCOc1ccccc1 c1ccc(cc1)OCC[*:1] O=C(c1cnn2ccccc12)N1CCC2(CC1)CN(C(=O)O2)[*:1]
O=C1OC2(CCN(C(=O)c3cnn4ccccc34)CC2)CN1CCOc1ccccc1 c1ccc(cc1)OC[*:1] O=C1OC2(CCN(CC2)C(=O)c2cnn3ccccc23)CN1C[*:1]
O=C1OC2(CCN(C(=O)c3cnn4ccccc34)CC2)CN1CCOc1ccccc1 c1ccc(cc1)[*:1] O=C1OC2(CCN(CC2)C(=O)c2cnn3ccccc23)CN1CCO[*:1]
O=C1OC2(CCN(C(=O)c3cnn4ccccc34)CC2)CN1CCOc1ccccc1 c1ccn2ncc(c2c1)[*:1] O=C1OC2(CCN(CC2)C(=O)[*:1])CN1CCOc1ccccc1
O=C1OC2(CCN(C(=O)c3cnn4ccccc34)CC2)CN1CCOc1ccccc1 c1ccc(cc1)O[*:1] O=C1OC2(CCN(CC2)C(=O)c2cnn3ccccc23)CN1CC[*:1]
C[C@@H](CNC(=O)c1ccc(N2CCOC2=O)cc1)[NH+]1CCCC1 O=C1OCCN1[*:1] C[C@@H](CNC(=O)c1ccc(cc1)[*:1])[NH+]1CCCC1
N#C/C(=C/c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cn1 O=[N+]([O-])[*:1] N#C/C(=C/c1ccc(c(O)c1)[*:1])c1ccc(F)cn1
N#C/C(=C/c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] N#C/C(=C/c1ccc(c(O)c1)[N+](=O)[O-])[*:1]
C[C@H](Sc1ccccc1)C(=O)N1CCCN(S(C)(=O)=O)CC1 c1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)N1CCCN(CC1)S(C)(=O)=O
C[C@H](Sc1ccccc1)C(=O)N1CCCN(S(C)(=O)=O)CC1 c1ccc(cc1)S[*:1] C[C@H](C(=O)N1CCCN(CC1)S(C)(=O)=O)[*:1]
CCC(=O)N1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC(=O)N1CCN(CC1)Cc1c[nH]nc1[*:1]
COC(=O)c1ccc(NC(=O)c2noc3c2COc2ccccc2-3)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1noc2-c3ccccc3OCc12
CS[C@@H](C)C[NH2+][C@@H](C)c1occc1Br CS[C@@H](C)[*:1] C[C@H]([NH2+]C[*:1])c1occc1Br
COc1ccc([C@H]([NH2+]C[C@H](C)SC)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H]([NH2+]C[C@H](C)SC)[*:1]
CCS[C@@H]1CC[C@@]1([O-])CNC(=O)Nc1cn(C)nc1CC CCS[*:1] CCc1nn(C)cc1NC(=O)NC[C@]1([O-])CC[C@H]1[*:1]
O=C(N[C@H]1CC=CCC1)N1CCCN(C(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(N[C@H]1CC=CCC1)N1CCCN(CC1)C(=O)[*:1]
Cc1csc([C@@H](NC(=O)c2ccnc(OC3CCC3)c2)C2CC2)n1 Cc1csc(n1)[*:1] O=C(N[C@@H](C1CC1)[*:1])c1ccnc(c1)OC1CCC1
Cc1csc([C@@H](NC(=O)c2ccnc(OC3CCC3)c2)C2CC2)n1 C1CC(C1)[*:1] Cc1csc(n1)[C@@H](NC(=O)c1ccnc(c1)O[*:1])C1CC1
Cc1csc([C@@H](NC(=O)c2ccnc(OC3CCC3)c2)C2CC2)n1 C1CC(C1)O[*:1] Cc1csc(n1)[C@@H](NC(=O)c1ccnc(c1)[*:1])C1CC1
Cc1csc([C@@H](NC(=O)c2ccnc(OC3CCC3)c2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)c1ccnc(c1)OC1CCC1)[*:1]
CC(C)c1cccc(NC(=O)c2ccncc2F)c1 CC(C)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccncc1F
Cc1ccc(S(=O)(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc2nc([nH]c2c1)[C@H]1CCCO1)[*:1]
CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1 CC(C)O[*:1] O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1 CC(C)[*:1] O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(cc1)O[*:1]
O=C(C1CCCC1)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 C1CCC(C1)[*:1] O=C(N1CCC(CC1)c1cc(O)nc(n1)-c1cnccn1)[*:1]
O=C(C1CCCC1)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 c1cnc(cn1)[*:1] O=C(C1CCCC1)N1CCC(CC1)c1cc(O)nc(n1)[*:1]
CC[C@H](Oc1ccccc1)C(=O)N1CCCc2ccccc21 c1ccc(cc1)[*:1] CC[C@H](O[*:1])C(=O)N1CCCc2ccccc21
CC[C@H](Oc1ccccc1)C(=O)N1CCCc2ccccc21 c1ccc(cc1)O[*:1] CC[C@H](C(=O)N1CCCc2ccccc21)[*:1]
COC(=O)CCCOc1ccc(C(C)(C)C)cc1C COC(=O)CC[*:1] Cc1cc(ccc1OC[*:1])C(C)(C)C
COC(=O)CCCOc1ccc(C(C)(C)C)cc1C COC(=O)[*:1] Cc1cc(ccc1OCCC[*:1])C(C)(C)C
COC(=O)CCCOc1ccc(C(C)(C)C)cc1C COC(=O)C[*:1] Cc1cc(ccc1OCC[*:1])C(C)(C)C
COC(=O)CCCOc1ccc(C(C)(C)C)cc1C CC(C)(C)[*:1] COC(=O)CCCOc1ccc(cc1C)[*:1]
Cn1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)n1 FC(F)(F)[*:1] Cn1ccc(n1)NC(=O)Cn1c(nc2ccccc21)[*:1]
Cn1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)n1 Cn1ccc(n1)[*:1] O=C(Cn1c(nc2ccccc21)C(F)(F)F)N[*:1]
COC(=O)[C@H]1CCN(C(=O)C(C)(C)CCl)C1 CC(C)(CCl)[*:1] COC(=O)[C@H]1CCN(C1)C(=O)[*:1]
COC(=O)[C@H]1CCN(C(=O)C(C)(C)CCl)C1 COC(=O)[*:1] CC(C)(CCl)C(=O)N1CC[C@@H](C1)[*:1]
CNC(=O)NCC(=O)NC[C@H]1CCC[C@@H](C)C1 CNC(=O)N[*:1] C[C@@H]1CCC[C@H](CNC(=O)C[*:1])C1
Cc1cc(C)c(NC(=O)CNC(=O)C2CCCCC2)c(C)c1 C1CCC(CC1)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)[*:1])c(C)c1
O=C(NCc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 Clc1cccc(c1)C[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)S(=O)(=O)NC1CC1
O=C(NCc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 C1CC1[*:1] O=C(NCc1cccc(Cl)c1)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
O=C(NCc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 Clc1cccc(c1)[*:1] O=C(NC[*:1])c1ccc(Cl)c(c1)S(=O)(=O)NC1CC1
O=C(NCc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 O=S(=O)(NC1CC1)[*:1] O=C(NCc1cccc(Cl)c1)c1ccc(Cl)c(c1)[*:1]
CC(C)[C@H](C)S(=O)(=O)[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 CC(C)[*:1] C[C@H](S(=O)(=O)[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1)[*:1]
CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3F)C2)c1 c1ccc(cc1)[*:1] CCS(=O)(=O)Nc1cccc(c1)C1C[C@H](c2ccccc2F)N(N=1)S(=O)(=O)[*:1]
CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3F)C2)c1 CCS(=O)(=O)N[*:1] O=S(=O)(c1ccccc1)N1N=C(C[C@@H]1c1ccccc1F)c1cccc(c1)[*:1]
CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3F)C2)c1 Fc1ccccc1[*:1] CCS(=O)(=O)Nc1cccc(c1)C1C[C@H](N(N=1)S(=O)(=O)c1ccccc1)[*:1]
CC(C)N(C)c1nc(C(F)(F)F)ccc1C(N)=S CC(C)N(C)[*:1] NC(=S)c1ccc(nc1[*:1])C(F)(F)F
CC(C)N(C)c1nc(C(F)(F)F)ccc1C(N)=S NC(=S)[*:1] CC(C)N(C)c1nc(ccc1[*:1])C(F)(F)F
CC(C)N(C)c1nc(C(F)(F)F)ccc1C(N)=S FC(F)(F)[*:1] CC(C)N(C)c1nc(ccc1C(N)=S)[*:1]
CC(C)N(C)c1nc(C(F)(F)F)ccc1C(N)=S CC(C)[*:1] CN(c1nc(ccc1C(N)=S)C(F)(F)F)[*:1]
COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] COC(=O)C1=C(N)Oc2c(oc(cc2=O)CO)[C@@H]1c1ccccc1[*:1]
COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1C(F)(F)F COC(=O)[*:1] NC1Oc2c(oc(cc2=O)CO)[C@@H](C=1[*:1])c1ccccc1C(F)(F)F
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNc1cc(C#N)cc(Cl)n1 N#Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NNc1cc(C#N)cc(Cl)n1
COCCOc1cccc(C[NH+]2CCC(N3CCCC3=O)CC2)c1 COCC[*:1] O=C1CCCN1C1CC[NH+](CC1)Cc1cccc(c1)O[*:1]
COCCOc1cccc(C[NH+]2CCC(N3CCCC3=O)CC2)c1 O=C1CCCN1[*:1] COCCOc1cccc(c1)C[NH+]1CCC(CC1)[*:1]
COCCOc1cccc(C[NH+]2CCC(N3CCCC3=O)CC2)c1 COC[*:1] O=C1CCCN1C1CC[NH+](CC1)Cc1cccc(c1)OC[*:1]
COCCOc1cccc(C[NH+]2CCC(N3CCCC3=O)CC2)c1 COCCO[*:1] O=C1CCCN1C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
Cc1nc(N(C)C)sc1CNc1ccc(F)cc1OCC(F)F FC(F)CO[*:1] Cc1nc(sc1CNc1ccc(F)cc1[*:1])N(C)C
Cc1nc(N(C)C)sc1CNc1ccc(F)cc1OCC(F)F FC(F)[*:1] Cc1nc(sc1CNc1ccc(F)cc1OC[*:1])N(C)C
Cc1nc(N(C)C)sc1CNc1ccc(F)cc1OCC(F)F FC(F)C[*:1] Cc1nc(sc1CNc1ccc(F)cc1O[*:1])N(C)C
Cc1nc(N(C)C)sc1CNc1ccc(F)cc1OCC(F)F CN(C)[*:1] Cc1nc(sc1CNc1ccc(F)cc1OCC(F)F)[*:1]
CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)c1cc(ccc1Cl)[N+](=O)[O-]
CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)c1cc(ccc1Cl)[*:1]
CC(C)(CNC(=O)Nc1cncc2ccccc12)CC1CCOCC1 C1CC(CCO1)C[*:1] CC(C)(CNC(=O)Nc1cncc2ccccc12)[*:1]
CC(C)(CNC(=O)Nc1cncc2ccccc12)CC1CCOCC1 C1CC(CCO1)[*:1] CC(C)(CNC(=O)Nc1cncc2ccccc12)C[*:1]
CC(C)Oc1ccc(C(=O)Nc2ccccc2Br)cn1 CC(C)[*:1] O=C(Nc1ccccc1Br)c1ccc(nc1)O[*:1]
CC(C)Oc1ccc(C(=O)Nc2ccccc2Br)cn1 CC(C)O[*:1] O=C(Nc1ccccc1Br)c1ccc(nc1)[*:1]
Cc1ccc(-n2c(SCC(=O)N(C)C[C@@H]3COc4ccccc4O3)nnc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)N(C)C[C@@H]1COc2ccccc2O1
Cc1ccc(-n2c(SCC(=O)N(C)C[C@@H]3COc4ccccc4O3)nnc2N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(N2CCOCC2)n1[*:1]
COc1cccc(OCCn2c([C@H]3CC(=O)N(c4cccc(F)c4)C3)nc3ccccc32)c1 COc1cccc(c1)OCC[*:1] O=C1C[C@@H](CN1c1cccc(F)c1)c1nc2ccccc2n1[*:1]
COc1cccc(OCCn2c([C@H]3CC(=O)N(c4cccc(F)c4)C3)nc3ccccc32)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)OCCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
COc1cccc(OCCn2c([C@H]3CC(=O)N(c4cccc(F)c4)C3)nc3ccccc32)c1 COc1cccc(c1)[*:1] O=C1C[C@@H](CN1c1cccc(F)c1)c1nc2ccccc2n1CCO[*:1]
COc1cccc(OCCn2c([C@H]3CC(=O)N(c4cccc(F)c4)C3)nc3ccccc32)c1 COc1cccc(c1)O[*:1] O=C1C[C@@H](CN1c1cccc(F)c1)c1nc2ccccc2n1CC[*:1]
COc1cccc(OCCn2c([C@H]3CC(=O)N(c4cccc(F)c4)C3)nc3ccccc32)c1 COc1cccc(c1)OC[*:1] O=C1C[C@@H](CN1c1cccc(F)c1)c1nc2ccccc2n1C[*:1]
COC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(C(C)C)cc1 CC(C)[*:1] COC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(C(C)C)cc1 COC(=O)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N(C)c1ccsc1[*:1]
Cc1cc([C@H](C)NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c(C)s1 Cc1n[nH]c(C)c1[*:1] Cc1cc(c(C)s1)[C@H](C)NC(=O)N1CCC[C@H]1[*:1]
Cc1cc([C@H](C)NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](C)[*:1]
O=C(NC[C@](O)(c1ccco1)C1CC1)NC(c1ccccc1)c1ccccc1 C1CC1[*:1] O=C(NC[C@](O)(c1ccco1)[*:1])NC(c1ccccc1)c1ccccc1
O=C(NC[C@](O)(c1ccco1)C1CC1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@](O)(c1ccco1)C1CC1)NC(c1ccccc1)[*:1]
O=C(NC[C@](O)(c1ccco1)C1CC1)NC(c1ccccc1)c1ccccc1 c1coc(c1)[*:1] O=C(NC[C@](O)(C1CC1)[*:1])NC(c1ccccc1)c1ccccc1
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](CC)C2)cc1 C#CC[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](CC)C2)cc1 C#CCNS(=O)(=O)[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)c1ccc(cc1)[*:1]
NC(=O)c1cccc(COC(=O)Cc2ccc3ccccc3c2)c1 NC(=O)[*:1] O=C(Cc1ccc2ccccc2c1)OCc1cccc(c1)[*:1]
O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC1(C(=O)[O-])CCCC1 O=C(NC1CC1)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NC1(CCCC1)C(=O)[O-]
O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC1(C(=O)[O-])CCCC1 C1CC1[*:1] O=C(/C=C/c1ccc(cc1)C(=O)N[*:1])NC1(CCCC1)C(=O)[O-]
O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC1(C(=O)[O-])CCCC1 O=C([O-])[*:1] O=C(/C=C/c1ccc(cc1)C(=O)NC1CC1)NC1(CCCC1)[*:1]
CC(C)[C@H](C)N(C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C CC(C)[*:1] C[C@H]1[C@@H](CCN1C(=O)N(C)[C@@H](C)[*:1])C(=O)[O-]
CC(C)[C@H](C)N(C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C CC(C)[C@H](C)[*:1] C[C@H]1[C@@H](CCN1C(=O)N(C)[*:1])C(=O)[O-]
CC(C)[C@H](C)N(C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] CC(C)[C@H](C)N(C)C(=O)N1CC[C@@H]([C@@H]1C)[*:1]
CC(C)[C@H](NC(=O)[C@H]1Cc2ccccc2S1)C(N)=S CC(C)[*:1] NC(=S)[C@@H](NC(=O)[C@H]1Cc2ccccc2S1)[*:1]
CC(C)[C@H](NC(=O)[C@H]1Cc2ccccc2S1)C(N)=S NC(=S)[*:1] CC(C)[C@H](NC(=O)[C@H]1Cc2ccccc2S1)[*:1]
CN(Cc1ccc(Cl)cc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 Clc1ccc(cc1)[*:1] CN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C[*:1]
O=C(c1sc(-n2cccc2)nc1-c1ccccc1)N1CCSCC1 c1ccn(c1)[*:1] O=C(c1sc(nc1-c1ccccc1)[*:1])N1CCSCC1
O=C(c1sc(-n2cccc2)nc1-c1ccccc1)N1CCSCC1 O=C(N1CCSCC1)[*:1] c1ccc(cc1)-c1nc(sc1[*:1])-n1cccc1
O=C(c1sc(-n2cccc2)nc1-c1ccccc1)N1CCSCC1 c1ccc(cc1)[*:1] O=C(c1sc(nc1[*:1])-n1cccc1)N1CCSCC1
CN(Cc1ccccc1Br)C(=O)CN1CSCC1=O O=C1CSCN1[*:1] CN(Cc1ccccc1Br)C(=O)C[*:1]
O=C(c1c[nH]c(=O)cn1)N1CCC(OCc2cccnc2)CC1 O=c1cnc(c[nH]1)[*:1] O=C(N1CCC(CC1)OCc1cccnc1)[*:1]
O=C(c1c[nH]c(=O)cn1)N1CCC(OCc2cccnc2)CC1 c1cncc(c1)C[*:1] O=C(c1c[nH]c(=O)cn1)N1CCC(CC1)O[*:1]
O=C(c1c[nH]c(=O)cn1)N1CCC(OCc2cccnc2)CC1 c1cncc(c1)[*:1] O=C(c1c[nH]c(=O)cn1)N1CCC(CC1)OC[*:1]
COC1CC[NH+](CCNC(=O)/C=C(/C)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] COC1CC[NH+](CCNC(=O)C=C(C)[*:1])CC1
Cc1ccccc1OCCN(C)C(=O)NCc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] Cc1ccccc1OCCN(C)C(=O)NC[*:1]
Cc1ccccc1OCCN(C)C(=O)NCc1ccc(Cl)nc1 Cc1ccccc1[*:1] CN(CCO[*:1])C(=O)NCc1ccc(Cl)nc1
CC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)c2nc3ccccc3[nH]2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H](C1)CS(=O)(=O)c1nc2ccccc2[nH]1
CO[C@H](C)c1cccc(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)c1 CO[C@H](C)[*:1] CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(c1)[*:1]
CO[C@H](C)c1cccc(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)c1 CC(C)(C)C[*:1] CO[C@H](C)c1cccc(c1)NC(=O)[C@H]1CCCN1C(=O)[*:1]
CO[C@H](C)c1cccc(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)c1 CC(C)(C)[*:1] CO[C@H](C)c1cccc(c1)NC(=O)[C@H]1CCCN1C(=O)C[*:1]
Cc1ccc(C)c(OCC(=O)NCC2(O)CCOCC2)c1 OC1(CCOCC1)[*:1] Cc1ccc(C)c(c1)OCC(=O)NC[*:1]
Cc1ccc(-c2ccc(C(=O)Nc3cccc4ccccc34)c(=O)[nH]2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cccc2ccccc12)c1ccc([nH]c1=O)[*:1]
Cc1ccc(C[C@H](Br)CCCc2cccs2)nc1 c1csc(c1)[*:1] Cc1ccc(C[C@H](Br)CCC[*:1])nc1
Cc1ccc(C[C@H](Br)CCCc2cccs2)nc1 c1csc(c1)C[*:1] Cc1ccc(C[C@H](Br)CC[*:1])nc1
Cc1cc(=O)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)nn1-c1ccccc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] Cc1cc(=O)c(nn1-c1ccccc1[N+](=O)[O-])C(=O)N1CCN(CC1)[*:1]
Cc1cc(=O)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)nn1-c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(=O)c(nn1-c1ccccc1[*:1])C(=O)N1CCN(CC1)c1ccc(Cl)cc1
Cc1cc(=O)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)nn1-c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)N1CCN(CC1)c1ccc(Cl)cc1
CC(=O)Nc1nc2ccc(NC(=O)c3sccc3-c3ccc(C)cc3)cc2s1 Cc1ccc(cc1)[*:1] CC(=O)Nc1nc2ccc(cc2s1)NC(=O)c1sccc1[*:1]
CC(=O)Nc1nc2ccc(NC(=O)c3sccc3-c3ccc(C)cc3)cc2s1 CC(=O)N[*:1] Cc1ccc(cc1)-c1ccsc1C(=O)Nc1ccc2nc(sc2c1)[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCc1cccc(F)c1 Fc1cccc(c1)[*:1] CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCc1cccc(F)c1 CNC(=O)[*:1] C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CCCC[C@@H]1[*:1]
COc1ccc(CNC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])c1nn2c(N[C@@H](C[C@@H]2C(F)(F)F)c2ccccc2)c1Cl
COc1ccc(CNC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CNC(=O)c1nn2c(N[C@@H](C[C@H]2[*:1])c2ccccc2)c1Cl
COc1ccc(CNC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)c1nn2c(N[C@H](C[C@@H]2C(F)(F)F)[*:1])c1Cl
COc1ccc(CNC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])c1nn2c(N[C@@H](C[C@@H]2C(F)(F)F)c2ccccc2)c1Cl
Cc1ccc(NC(=O)CCNC(=O)Cc2ccc(F)cc2F)c(Cl)c1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(NC(=O)CCNC(=O)C[*:1])c(Cl)c1
Cc1ccc(NC(=O)CCNC(=O)Cc2ccc(F)cc2F)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(Cc1ccc(F)cc1F)NCCC(=O)N[*:1]
COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)cc1OC Cc1ccccc1C[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)S[*:1]
COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccccc1CSc1nc2nc3C[C@@H](CC(=O)c3cn2n1)[*:1]
COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)cc1OC Cc1ccccc1[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)SC[*:1]
COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)cc1OC Cc1ccccc1CS[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)c2cn3nc(nc3nc2C1)[*:1]
Cn1ccnc1SCc1ccc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)o1 c1ccc(cc1)C[*:1] Cn1ccnc1SCc1ccc(o1)C(=O)N1CC[C@](C)(C1)C[*:1]
Cn1ccnc1SCc1ccc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)o1 Cn1ccnc1SC[*:1] C[C@@]1(CCc2ccccc2)CCN(C1)C(=O)c1ccc(o1)[*:1]
Cn1ccnc1SCc1ccc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)o1 Cn1ccnc1[*:1] C[C@@]1(CCc2ccccc2)CCN(C1)C(=O)c1ccc(CS[*:1])o1
Cn1ccnc1SCc1ccc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)o1 c1ccc(cc1)[*:1] Cn1ccnc1SCc1ccc(o1)C(=O)N1CC[C@@](C)(CC[*:1])C1
Cn1ccnc1SCc1ccc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)o1 Cn1ccnc1S[*:1] C[C@@]1(CCc2ccccc2)CCN(C1)C(=O)c1ccc(C[*:1])o1
Cn1ccnc1SCc1ccc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)o1 c1ccc(cc1)CC[*:1] Cn1ccnc1SCc1ccc(o1)C(=O)N1CC[C@@](C)(C1)[*:1]
COc1cccc([C@@H]2C[C@H](c3cccc(OC)c3)n3nnnc3N2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)[C@H]1C[C@H](Nc2nnnn21)[*:1]
COc1cccc([C@@H]2C[C@H](c3cccc(OC)c3)n3nnnc3N2)c1 COc1cccc(c1)[*:1] COc1cccc(c1)[C@@H]1C[C@H](n2nnnc2N1)[*:1]
CCC(CC)(NC(=O)N(C)C1CC[NH2+]CC1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)N(C)C1CC[NH2+]CC1)[*:1]
O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C1=COCCO1 Fc1ccc(cc1)[*:1] O=C(Oc1ccc(cc1)C(=O)[*:1])C1=COCCO1
Cc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1[O-])S(=O)(=O)N[*:1]
Cc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)NS(=O)(=O)c1ccc([O-])c(c1)[*:1]
C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(F)cc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(F)cc2)C(=O)N1[*:1]
C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(F)cc2)C(=O)N1c1ccccc1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@H](NC(=O)N(C)C[*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(F)cc2)C(=O)N1c1ccccc1 Fc1ccc(cc1)C[*:1] C[C@@H]1C[C@H](NC(=O)N(C)[*:1])C(=O)N1c1ccccc1
[NH3+][C@H]1CC[C@H](Oc2ccccc2S(=O)(=O)C(F)F)C1 FC(F)[*:1] [NH3+][C@H]1CC[C@@H](C1)Oc1ccccc1S(=O)(=O)[*:1]
[NH3+][C@H]1CC[C@H](Oc2ccccc2S(=O)(=O)C(F)F)C1 O=S(=O)(C(F)F)[*:1] [NH3+][C@H]1CC[C@@H](C1)Oc1ccccc1[*:1]
Cc1cc(C)c(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c(Br)c1 OCc1ccc(o1)[*:1] Cc1cc(C)c(OCC(=O)Nc2cccc(c2)[*:1])c(Br)c1
Cc1cc(C)c(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c(Br)c1 Cc1cc(C)c(c(Br)c1)[*:1] O=C(CO[*:1])Nc1cccc(c1)-c1ccc(CO)o1
COc1cc(-c2ccccc2)sc1C(=O)NC[C@@H](O)C(C)(C)C CC(C)(C)[*:1] COc1cc(sc1C(=O)NC[C@@H](O)[*:1])-c1ccccc1
COc1cc(-c2ccccc2)sc1C(=O)NC[C@@H](O)C(C)(C)C c1ccc(cc1)[*:1] COc1cc(sc1C(=O)NC[C@@H](O)C(C)(C)C)[*:1]
CCONC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 CCONC(=O)[*:1] O=c1c2ccc(cc2nc2CCCCCCn21)[*:1]
Cc1c(F)cccc1NC(=O)NCc1ccnc(OC2CCC2)c1 Cc1c(F)cccc1[*:1] O=C(NCc1ccnc(c1)OC1CCC1)N[*:1]
Cc1c(F)cccc1NC(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] Cc1c(F)cccc1NC(=O)NCc1ccnc(c1)[*:1]
Cc1c(F)cccc1NC(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] Cc1c(F)cccc1NC(=O)NCc1ccnc(c1)O[*:1]
Cc1cc(C)cc(NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1 O=C1OCCN1[*:1] Cc1cc(C)cc(c1)NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(C)cc(NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C1OCCN1c1ccc(cc1)S(=O)(=O)N[*:1]
C[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] C[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1cc(on1)[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)c1ccco1)N[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 c1coc(c1)[*:1] CC(C)NC(=O)Cc1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 CC(C)NC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])C1CCN(CC1)C(=O)c1ccco1
CC(C)NC(=O)Cc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 CC(C)NC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)C(=O)c1ccco1
C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)NCc2ccccc2F)C1 Fc1ccccc1[*:1] C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)NC[*:1])C1
C[NH+](CC(=O)[O-])Cc1noc(-c2ccccc2Cl)n1 O=C([O-])[*:1] C[NH+](Cc1noc(n1)-c1ccccc1Cl)C[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)n1 Fc1ccc(cc1)[*:1] Cc1cccc(n1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)Nc1ccc(F)cc1
CC(C)c1nc(N(C)[C@@H](C)C(C)(C)C)sc1C=O C[C@@H](C(C)(C)C)[*:1] CC(C)c1nc(sc1C=O)N(C)[*:1]
CC(C)c1nc(N(C)[C@@H](C)C(C)(C)C)sc1C=O CC(C)(C)[*:1] CC(C)c1nc(sc1C=O)N(C)[C@@H](C)[*:1]
CC(C)c1nc(N(C)[C@@H](C)C(C)(C)C)sc1C=O CC(C)[*:1] C[C@H](N(C)c1nc(c(C=O)s1)[*:1])C(C)(C)C
Cc1ccccc1N(CC(=O)Nc1ccccc1F)S(C)(=O)=O Cc1ccccc1[*:1] CS(=O)(=O)N(CC(=O)Nc1ccccc1F)[*:1]
Cc1ccccc1N(CC(=O)Nc1ccccc1F)S(C)(=O)=O Fc1ccccc1[*:1] Cc1ccccc1N(CC(=O)N[*:1])S(C)(=O)=O
Cc1nn(C)c2c1nc([C@H](C)Cl)n2CC(C)(C)S(C)(=O)=O C[C@H](Cl)[*:1] Cc1nn(C)c2c1nc(n2CC(C)(C)S(C)(=O)=O)[*:1]
Cc1nn(C)c2c1nc([C@H](C)Cl)n2CC(C)(C)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] Cc1nn(C)c2c1nc([C@H](C)Cl)n2C[*:1]
Cc1nn(C)c2c1nc([C@H](C)Cl)n2CC(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] Cc1nn(C)c2c1nc([C@H](C)Cl)n2CC(C)(C)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CC[NH+](C3CC3)CC2)C1 C1CC1[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)N1CC[NH+](CC1)[*:1]
C[C@H]1CN(Cc2ccc(CNC(=O)c3ccc(F)cc3F)cc2)C[C@@H](C)O1 Fc1ccc(c(F)c1)[*:1] C[C@H]1CN(Cc2ccc(cc2)CNC(=O)[*:1])C[C@@H](C)O1
CC[C@H]1SC[C@H](C(=O)[O-])N1C(=O)N1C[C@@H](C)[C@@H](C)C1 O=C([O-])[*:1] CC[C@H]1SC[C@H](N1C(=O)N1C[C@@H](C)[C@@H](C)C1)[*:1]
COc1ccc(NC(=O)N2CCC3(CC2)N=C(c2cccc(C)c2)C(=O)N3)c(OC)c1 Cc1cccc(c1)[*:1] COc1ccc(NC(=O)N2CCC3(CC2)N=C(C(=O)N3)[*:1])c(c1)OC
COc1ccc(NC(=O)N2CCC3(CC2)N=C(c2cccc(C)c2)C(=O)N3)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1cccc(c1)C1=NC2(CCN(CC2)C(=O)N[*:1])NC1=O
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1nc(C)cs1 Cc1csc(C[*:1])n1 COc1cc(ccc1S(=O)(=O)N[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1nc(C)cs1 Cc1csc(n1)[*:1] COc1cc(ccc1S(=O)(=O)NC[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1nc(C)cs1 O=[N+]([O-])[*:1] COc1cc(ccc1S(=O)(=O)NCc1nc(C)cs1)[*:1]
C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1 C1CC1c1n[nH]c(n1)[*:1] C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1 C[C@@H](O)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(cc1)-c1nc(n[nH]1)C1CC1
C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1 C1CC1[*:1] C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(cc1)-c1nc(n[nH]1)[*:1]
CCN1CCN(C(=O)c2ccc(OC)nc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O COc1ccc(cn1)[*:1] CCN1CCN(C[C@H](Cc2ccccc2-c2ccncc2)C1=O)C(=O)[*:1]
CCN1CCN(C(=O)c2ccc(OC)nc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O c1cc(ccn1)[*:1] CCN1CCN(C[C@H](Cc2ccccc2[*:1])C1=O)C(=O)c1ccc(nc1)OC
C[C@H]1CCN(C(=O)[C@H](O)c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] C[C@H]1CCN(C(=O)[C@H](O)[*:1])c2ccccc21
O=C([C@@H]1Cc2ccccc2CN1C(=O)c1cncc2cnccc12)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(c1cncc2cnccc12)N1Cc2ccccc2C[C@H]1[*:1]
CC[C@]1(COC)C(=N)NC(=O)N1CC(C)C CC(C)C[*:1] CC[C@]1(COC)C(=N)NC(=O)N1[*:1]
CC[C@]1(COC)C(=N)NC(=O)N1CC(C)C COC[*:1] CC[C@@]1(C(=N)NC(=O)N1CC(C)C)[*:1]
CC[C@]1(COC)C(=N)NC(=O)N1CC(C)C CC(C)[*:1] CC[C@]1(COC)C(=N)NC(=O)N1C[*:1]
Cc1[nH+]c(SCC(=O)NCCC2=c3ccccc3=[NH+]C2)n(C2CCCC2)c1C C1CCC(C1)[*:1] Cc1[nH+]c(SCC(=O)NCCC2C[NH+]=c3ccccc3=2)n(c1C)[*:1]
COc1ccc(NC(=O)c2cccnc2SC(F)F)cc1Cl FC(F)S[*:1] COc1ccc(cc1Cl)NC(=O)c1cccnc1[*:1]
COc1ccc(NC(=O)c2cccnc2SC(F)F)cc1Cl FC(F)[*:1] COc1ccc(cc1Cl)NC(=O)c1cccnc1S[*:1]
C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1noc(C(C)(C)C)n1 CC(C)(C)[*:1] C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1noc(n1)[*:1]
C[C@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1noc(C(C)(C)C)n1 c1ccc(cc1)[*:1] C[C@H](C(=O)N(C)[*:1])S(=O)(=O)Cc1noc(n1)C(C)(C)C
Cl[C@@H](CCCc1cccs1)Cc1nc2ccccc2o1 c1csc(c1)[*:1] Cl[C@@H](CCC[*:1])Cc1nc2ccccc2o1
Cl[C@@H](CCCc1cccs1)Cc1nc2ccccc2o1 c1csc(c1)C[*:1] Cl[C@@H](CC[*:1])Cc1nc2ccccc2o1
CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] CCc1cccc(CC)c1NC(=O)CSc1nnc(o1)[*:1]
Cn1c(C[NH+](C)C)nnc1[C@H]1CCCN(C(=O)c2cccc(F)c2F)C1 Fc1cccc(c1F)[*:1] Cn1c(C[NH+](C)C)nnc1[C@H]1CCCN(C1)C(=O)[*:1]
C[C@@H]1C[NH+](CC2([NH3+])CC2)C[C@H]1C [NH3+]C1(CC1)[*:1] C[C@@H]1C[NH+](C[C@H]1C)C[*:1]
CCOCc1ccccc1NC(=O)NC[C@@]1(C)CCCS1 CCOC[*:1] C[C@@]1(CCCS1)CNC(=O)Nc1ccccc1[*:1]
CCOCc1ccccc1NC(=O)NC[C@@]1(C)CCCS1 CCO[*:1] C[C@@]1(CCCS1)CNC(=O)Nc1ccccc1C[*:1]
CCN(CC)C(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)Nc2ccc(C)cc2)CC1 O=C(N[*:1])c1cccs1 CCN(CC)C(=O)[C@H](C1CCN(CC1)C(=O)Nc1ccc(C)cc1)[*:1]
CCN(CC)C(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)Nc2ccc(C)cc2)CC1 c1csc(c1)[*:1] CCN(CC)C(=O)[C@H](NC(=O)[*:1])C1CCN(CC1)C(=O)Nc1ccc(C)cc1
CCN(CC)C(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)Nc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] CCN(CC)C(=O)[C@H](NC(=O)c1cccs1)C1CCN(CC1)C(=O)N[*:1]
CCN(CC)C(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)Nc2ccc(C)cc2)CC1 CCN(CC)C(=O)[*:1] Cc1ccc(cc1)NC(=O)N1CCC(CC1)[C@@H](NC(=O)c1cccs1)[*:1]
COc1cc(F)cc(C/[NH+]=C(/N)NCC(C)C)c1 CC(C)C[*:1] COc1cc(F)cc(c1)C/[NH+]=C(/N)N[*:1]
COc1cc(F)cc(C/[NH+]=C(/N)NCC(C)C)c1 CC(C)[*:1] COc1cc(F)cc(c1)C/[NH+]=C(/N)NC[*:1]
CCC[C@H](C)c1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1 CCC[*:1] C[C@H](c1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1)[*:1]
CCC[C@H](C)c1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1 CCC[C@H](C)[*:1] O=S(=O)([N-]c1nnc(s1)[*:1])c1ccc(Cl)cc1
CCC[C@H](C)c1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCC[C@H](C)c1nnc([N-]S(=O)(=O)[*:1])s1
C#CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] C#CCOc1ccc(cc1)C[NH2+][C@@H](C)[*:1]
C#CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 C#CCO[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1
C#CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 C#CC[*:1] C[C@H]([NH2+]Cc1ccc(cc1)O[*:1])c1ccccc1
CC[C@@H](C)NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 CC[C@@H](C)[*:1] O=C(Nc1ccccc1)c1cc(cs1)S(=O)(=O)N[*:1]
CC[C@@H](C)NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@@H](C)NS(=O)(=O)c1csc(c1)C(=O)N[*:1]
COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCCO2 COc1ccccc1[*:1] O=C(Nc1ccc2OCCCOc2c1)N1CCC[C@H]1C[*:1]
COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCCO2 COc1ccccc1C[*:1] O=C(Nc1ccc2OCCCOc2c1)N1CCC[C@H]1[*:1]
CC[C@](C)(C(=O)[O-])[C@@H]1CCCCC[C@@H]1O O=C([O-])[*:1] CC[C@](C)([C@@H]1CCCCC[C@@H]1O)[*:1]
CCOc1ncc(C(=O)N2c3ccnn3[C@H](C)C[C@H]2C)cc1Cl CCO[*:1] C[C@@H]1C[C@@H](C)n2nccc2N1C(=O)c1cnc(c(Cl)c1)[*:1]
CCc1sc(C(C)(C)C)cc1NC(=O)C(Cl)Cl CC(C)(C)[*:1] CCc1sc(cc1NC(=O)C(Cl)Cl)[*:1]
CCc1sc(C(C)(C)C)cc1NC(=O)C(Cl)Cl ClC(Cl)[*:1] CCc1sc(cc1NC(=O)[*:1])C(C)(C)C
CN(CCC#N)C(=O)Nc1cc(F)ccc1Oc1ccccc1 c1ccc(cc1)O[*:1] CN(CCC#N)C(=O)Nc1cc(F)ccc1[*:1]
CN(CCC#N)C(=O)Nc1cc(F)ccc1Oc1ccccc1 N#CCC[*:1] CN(C(=O)Nc1cc(F)ccc1Oc1ccccc1)[*:1]
CN(CCC#N)C(=O)Nc1cc(F)ccc1Oc1ccccc1 N#CC[*:1] CN(C[*:1])C(=O)Nc1cc(F)ccc1Oc1ccccc1
CN(CCC#N)C(=O)Nc1cc(F)ccc1Oc1ccccc1 c1ccc(cc1)[*:1] CN(CCC#N)C(=O)Nc1cc(F)ccc1O[*:1]
Cc1ccc(CN(C)[C@@H](C)CS(C)(=O)=O)s1 CS(=O)(=O)[*:1] Cc1ccc(CN(C)[C@@H](C)C[*:1])s1
Cc1ccc(CN(C)[C@@H](C)CS(C)(=O)=O)s1 CS(=O)(=O)C[*:1] Cc1ccc(CN(C)[C@@H](C)[*:1])s1
O=C(CCCOc1ccccc1)NCc1nc2ccccc2s1 c1ccc(cc1)[*:1] O=C(CCCO[*:1])NCc1nc2ccccc2s1
O=C(CCCOc1ccccc1)NCc1nc2ccccc2s1 c1ccc(cc1)O[*:1] O=C(CCC[*:1])NCc1nc2ccccc2s1
COC(=O)C[C@@H](N[C@H]1CSCCC1(C)C)c1cccs1 COC(=O)C[*:1] CC1(C)CCSC[C@@H]1N[C@@H](c1cccs1)[*:1]
COC(=O)C[C@@H](N[C@H]1CSCCC1(C)C)c1cccs1 COC(=O)[*:1] CC1(C)CCSC[C@@H]1N[C@H](C[*:1])c1cccs1
COC(=O)C[C@@H](N[C@H]1CSCCC1(C)C)c1cccs1 c1csc(c1)[*:1] COC(=O)C[C@@H](N[C@H]1CSCCC1(C)C)[*:1]
COc1cc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])[C@H]1CC(=O)Oc2c1c(=O)[nH]c1ccccc21
COc1cc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])[C@H]1CC(=O)Oc2c1c(=O)[nH]c1ccccc21
COc1cc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])[C@H]1CC(=O)Oc2c1c(=O)[nH]c1ccccc21
CCOc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 Fc1ccc(cc1)[*:1] CCOc1ccc2nc(SCC(=O)N[*:1])sc2c1
CCOc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 CCO[*:1] O=C(CSc1nc2ccc(cc2s1)[*:1])Nc1ccc(F)cc1
C[C@H](NC(=O)CSc1nncn1-c1ccccc1F)C1CC1 Fc1ccccc1[*:1] C[C@H](NC(=O)CSc1nncn1[*:1])C1CC1
C[C@H](NC(=O)CSc1nncn1-c1ccccc1F)C1CC1 C[C@H](C1CC1)[*:1] O=C(CSc1nncn1-c1ccccc1F)N[*:1]
C[C@H](NC(=O)CSc1nncn1-c1ccccc1F)C1CC1 C1CC1[*:1] C[C@H](NC(=O)CSc1nncn1-c1ccccc1F)[*:1]
CC(C)[C@H](C)NC(=O)N[C@H](C)c1nncn1C CC(C)[*:1] C[C@H](NC(=O)N[C@H](C)c1nncn1C)[*:1]
CC(C)[C@H](C)NC(=O)N[C@H](C)c1nncn1C CC(C)[C@H](C)[*:1] C[C@@H](NC(=O)N[*:1])c1nncn1C
O=C([O-])[C@@H](O)c1cscc1Br O=C([O-])[*:1] O[C@@H](c1cscc1Br)[*:1]
Cn1ccnc1SCc1cccc(C(=O)N2CCCSCC2)c1 Cn1ccnc1S[*:1] O=C(c1cccc(c1)C[*:1])N1CCCSCC1
Cn1ccnc1SCc1cccc(C(=O)N2CCCSCC2)c1 Cn1ccnc1[*:1] O=C(c1cccc(c1)CS[*:1])N1CCCSCC1
CCN(Cc1cccs1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 c1csc(c1)C[*:1] CCN(C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)[*:1]
CCN(Cc1cccs1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 c1csc(c1)[*:1] CCN(C[*:1])C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21
Cn1ccc(C(=O)CN2CC(=O)N3CCCC[C@@H]3C2=O)c1 Cn1ccc(c1)[*:1] O=C1[C@H]2CCCCN2C(=O)CN1CC(=O)[*:1]
C[NH2+][C@]1(C(N)=O)CC[C@H](O[C@H](C)C(F)(F)F)C1 FC(F)(F)[*:1] C[NH2+][C@@]1(CC[C@@H](C1)O[C@H](C)[*:1])C(N)=O
C[NH2+][C@]1(C(N)=O)CC[C@H](O[C@H](C)C(F)(F)F)C1 NC(=O)[*:1] C[NH2+][C@@]1(CC[C@@H](C1)O[C@H](C)C(F)(F)F)[*:1]
Fc1ccc(-c2nsc3c(N4CCOCC4)ncnc23)cc1 Fc1ccc(cc1)[*:1] c1nc(c2snc(c2n1)[*:1])N1CCOCC1
Fc1ccc(-c2nsc3c(N4CCOCC4)ncnc23)cc1 C1CN(CCO1)[*:1] Fc1ccc(cc1)-c1nsc2c(ncnc12)[*:1]
COC(=O)c1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1 COC(=O)[*:1] C(=N\Nc1ncnc2sc3CCCCc3c12)\c1ccc(cc1)[*:1]
CCC[NH2+][C@@H](CC[C@H]1CCOC2(CCSCC2)C1)C(C)C CCC[*:1] CC(C)[C@H](CC[C@H]1CCOC2(CCSCC2)C1)[NH2+][*:1]
CCC[NH2+][C@@H](CC[C@H]1CCOC2(CCSCC2)C1)C(C)C CC(C)[*:1] CCC[NH2+][C@@H](CC[C@H]1CCOC2(CCSCC2)C1)[*:1]
Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c([nH]c3ccccc32)c1=O c1cc2OCCOc2cc1[*:1] Cn1c(nc2c([nH]c3ccccc32)c1=O)SCC(=O)N[*:1]
CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2n[nH]cc2C1 Clc1ccc(cc1)[*:1] CC[C@H](CS[*:1])[NH2+][C@@H]1CCc2n[nH]cc2C1
CCCN1C(=O)CCc2cc(Nc3cc(Cl)nc(N)n3)ccc21 CCC[*:1] Nc1nc(Cl)cc(n1)Nc1ccc2c(c1)CCC(=O)N2[*:1]
CCc1c(C)sc2nc(S[C@H](C)C(=O)N3CCCC[C@@H]3CC)n(C[C@@H]3CCCO3)c(=O)c12 CC[C@H]1CCCCN1C(=O)[*:1] CCc1c(C)sc2nc(S[C@H](C)[*:1])n(C[C@@H]3CCCO3)c(=O)c12
CCc1c(C)sc2nc(S[C@H](C)C(=O)N3CCCC[C@@H]3CC)n(C[C@@H]3CCCO3)c(=O)c12 C1CO[C@@H](C1)[*:1] CCc1c(C)sc2nc(S[C@H](C)C(=O)N3CCCC[C@@H]3CC)n(C[*:1])c(=O)c12
CCc1c(C)sc2nc(S[C@H](C)C(=O)N3CCCC[C@@H]3CC)n(C[C@@H]3CCCO3)c(=O)c12 C1CO[C@@H](C1)C[*:1] CCc1c(C)sc2nc(S[C@H](C)C(=O)N3CCCC[C@@H]3CC)n(c(=O)c12)[*:1]
C[C@H](C(N)=O)N1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 c1ccc(cc1)C[*:1] C[C@H](C(N)=O)N1CCN(CC1)CC(=O)N1CCN(CC1)[*:1]
C[C@H](C(N)=O)N1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 NC(=O)[*:1] C[C@H](N1CCN(CC1)CC(=O)N1CCN(CC1)Cc1ccccc1)[*:1]
C[C@H](C(N)=O)N1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] C[C@H](C(N)=O)N1CCN(CC1)CC(=O)N1CCN(CC1)C[*:1]
CC(=O)N[C@H](CC(=O)Oc1ccc(C)cc1)c1ccc(Br)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)O[*:1])c1ccc(Br)cc1
CC(=O)N[C@H](CC(=O)Oc1ccc(C)cc1)c1ccc(Br)cc1 CC(=O)N[*:1] Cc1ccc(cc1)OC(=O)C[C@H](c1ccc(Br)cc1)[*:1]
CC(=O)N[C@H](CC(=O)Oc1ccc(C)cc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Oc1ccc(C)cc1)[*:1]
COC(=O)[C@H]1CCCCN1C[C@H](O)COc1ccc(Cl)cc1Cl COC(=O)[*:1] O[C@H](COc1ccc(Cl)cc1Cl)CN1CCCC[C@@H]1[*:1]
COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1sccc1C COC(=O)[*:1] CC1Nc2ncnn2[C@@H](C=1[*:1])c1sccc1C
COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1sccc1C Cc1ccsc1[*:1] COC(=O)C1=C(C)Nc2ncnn2[C@H]1[*:1]
COc1ccc2c(c1)C=C(C(=O)NC[C@@H]1CCO[C@@H]1c1ccccc1)CO2 c1ccc(cc1)[*:1] COc1ccc2OCC(=Cc2c1)C(=O)NC[C@@H]1CCO[C@H]1[*:1]
COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 c1ccc(cc1)[*:1] COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CC[*:1]
COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 c1ccc(cc1)CC[*:1] COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 COC[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1)[*:1]
COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 c1ccc(cc1)C[*:1] COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1C[*:1]
O=C(Nc1ccc(F)c(Cl)c1)c1cccn(Cc2cccc(F)c2)c1=O Fc1cccc(c1)C[*:1] O=C(Nc1ccc(F)c(Cl)c1)c1cccn(c1=O)[*:1]
O=C(Nc1ccc(F)c(Cl)c1)c1cccn(Cc2cccc(F)c2)c1=O Fc1ccc(cc1Cl)[*:1] O=C(N[*:1])c1cccn(Cc2cccc(F)c2)c1=O
O=C(Nc1ccc(F)c(Cl)c1)c1cccn(Cc2cccc(F)c2)c1=O Fc1cccc(c1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)c1cccn(C[*:1])c1=O
Cc1ccc(C(=O)N2CCN(c3ccccc3O)CC2)c(C)n1 Oc1ccccc1[*:1] Cc1ccc(C(=O)N2CCN(CC2)[*:1])c(C)n1
COCCn1/c(=N/C(=O)Cc2ccc(F)cc2)sc2cc(S(C)(=O)=O)ccc21 COC[*:1] CS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)Cc1ccc(F)cc1)n2C[*:1]
COCCn1/c(=N/C(=O)Cc2ccc(F)cc2)sc2cc(S(C)(=O)=O)ccc21 Fc1ccc(cc1)C[*:1] COCCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(C)(=O)=O
COCCn1/c(=N/C(=O)Cc2ccc(F)cc2)sc2cc(S(C)(=O)=O)ccc21 Fc1ccc(cc1)[*:1] COCCn1/c(=N/C(=O)C[*:1])sc2cc(ccc21)S(C)(=O)=O
COCCn1/c(=N/C(=O)Cc2ccc(F)cc2)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] COCCn1/c(=N/C(=O)Cc2ccc(F)cc2)sc2cc(ccc21)[*:1]
COCCn1/c(=N/C(=O)Cc2ccc(F)cc2)sc2cc(S(C)(=O)=O)ccc21 COCC[*:1] CS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)Cc1ccc(F)cc1)n2[*:1]
CC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cc1 CC(=O)N[*:1] O=C(N[C@@H]1CCN(C1)c1c(F)cccc1F)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cc1 Fc1cccc(F)c1[*:1] CC(=O)Nc1ccc(cc1)C(=O)N[C@@H]1CCN(C1)[*:1]
FC(F)(F)c1cccnc1CN1CCO[C@@H](c2ccco2)C1 c1coc(c1)[*:1] FC(F)(F)c1cccnc1CN1CCO[C@@H](C1)[*:1]
FC(F)(F)c1cccnc1CN1CCO[C@@H](c2ccco2)C1 FC(F)(F)[*:1] c1coc(c1)[C@H]1CN(CCO1)Cc1ncccc1[*:1]
C[C@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1sccc1C#N N#Cc1ccsc1[*:1] C[C@H](OC(=O)C1CCN(CC1)C(=O)C(C)(C)C)C(=O)N[*:1]
C[C@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1sccc1C#N CC(C)(C)[*:1] C[C@H](OC(=O)C1CCN(CC1)C(=O)[*:1])C(=O)Nc1sccc1C#N
Cn1c(=O)c2ccccc2n2c(CN3CCO[C@@H](c4cccc(F)c4)C3)nnc12 Fc1cccc(c1)[*:1] Cn1c(=O)c2ccccc2n2c(CN3CCO[C@@H](C3)[*:1])nnc12
CCC(=O)N[C@H]1CCCN(C(=O)c2cccc(CC)c2O)C1 CCC(=O)N[*:1] CCc1cccc(C(=O)N2CCC[C@@H](C2)[*:1])c1O
Cc1cc(C)c(C(=O)CSc2nnc(N3CCOCC3)n2C2CC2)cc1C C1CN(CCO1)[*:1] Cc1cc(C)c(cc1C)C(=O)CSc1nnc(n1C1CC1)[*:1]
Cc1cc(C)c(C(=O)CSc2nnc(N3CCOCC3)n2C2CC2)cc1C Cc1cc(C)c(cc1C)[*:1] O=C(CSc1nnc(N2CCOCC2)n1C1CC1)[*:1]
Cc1cc(C)c(C(=O)CSc2nnc(N3CCOCC3)n2C2CC2)cc1C C1CC1[*:1] Cc1cc(C)c(cc1C)C(=O)CSc1nnc(N2CCOCC2)n1[*:1]
Cc1cc(OCc2nc(-c3cccc(F)c3)no2)nc(-n2nc(C)cc2C)n1 Fc1cccc(c1)[*:1] Cc1cc(nc(n1)-n1nc(C)cc1C)OCc1nc(no1)[*:1]
Cc1cc(OCc2nc(-c3cccc(F)c3)no2)nc(-n2nc(C)cc2C)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(nc(n1)[*:1])OCc1nc(no1)-c1cccc(F)c1
CCCOc1cc(CNC(=O)/C=C/c2ccc(Cl)nc2)ccn1 CCCO[*:1] O=C(/C=C/c1ccc(Cl)nc1)NCc1ccnc(c1)[*:1]
CCCOc1cc(CNC(=O)/C=C/c2ccc(Cl)nc2)ccn1 Clc1ccc(cn1)[*:1] CCCOc1cc(ccn1)CNC(=O)C=C[*:1]
CCCOc1cc(CNC(=O)/C=C/c2ccc(Cl)nc2)ccn1 CCC[*:1] O=C(/C=C/c1ccc(Cl)nc1)NCc1ccnc(c1)O[*:1]
CC[C@@H]([NH2+]C)c1ccc(OCCN2CCNC2=O)cc1 O=C1NCCN1[*:1] CC[C@@H]([NH2+]C)c1ccc(cc1)OCC[*:1]
COCCNc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-] COCCN[*:1] Nc1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])[*:1]
COCCNc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COCCNc1cc(N)c(cc1[*:1])[N+](=O)[O-]
COCCNc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-] COCC[*:1] Nc1cc(N[*:1])c(cc1[N+](=O)[O-])[N+](=O)[O-]
COCCNc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COCCNc1cc(N)c(cc1[N+](=O)[O-])[*:1]
COCCNc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-] COC[*:1] Nc1cc(NC[*:1])c(cc1[N+](=O)[O-])[N+](=O)[O-]
CCSCC[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2 CCSCC[*:1] C[C@@H](NC(=O)NNC(=O)c1cc2CCCCCc2s1)[*:1]
CCSCC[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2 CCS[*:1] C[C@H](CC[*:1])NC(=O)NNC(=O)c1cc2CCCCCc2s1
CCSCC[C@@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2 CCSC[*:1] C[C@H](C[*:1])NC(=O)NNC(=O)c1cc2CCCCCc2s1
COc1ccccc1-c1n[nH]c(NC(=O)c2cccc3[nH]ccc23)n1 COc1ccccc1[*:1] O=C(Nc1nc(n[nH]1)[*:1])c1cccc2[nH]ccc12
CCCCC(=O)Nc1cc(NC(=O)c2cc(N)[nH]n2)ccc1OC Nc1cc(n[nH]1)[*:1] CCCCC(=O)Nc1cc(ccc1OC)NC(=O)[*:1]
CCCCC(=O)Nc1cc(NC(=O)c2cc(N)[nH]n2)ccc1OC CCCCC(=O)N[*:1] COc1ccc(cc1[*:1])NC(=O)c1cc(N)[nH]n1
CCCCC(=O)Nc1cc(NC(=O)c2cc(N)[nH]n2)ccc1OC CCCC[*:1] COc1ccc(cc1NC(=O)[*:1])NC(=O)c1cc(N)[nH]n1
CCCCC(=O)Nc1cc(NC(=O)c2cc(N)[nH]n2)ccc1OC CCC[*:1] COc1ccc(cc1NC(=O)C[*:1])NC(=O)c1cc(N)[nH]n1
C[NH+]1CCN(Cc2ccc(CNC(=O)NNc3ccccn3)cc2)CC1 c1ccc(nc1)[*:1] C[NH+]1CCN(CC1)Cc1ccc(cc1)CNC(=O)NN[*:1]
Cn1ncnc1C[NH+](C)CC(=O)NCC(C)(C)N1CCOCC1 Cn1ncnc1C[*:1] C[NH+](CC(=O)NCC(C)(C)N1CCOCC1)[*:1]
Cn1ncnc1C[NH+](C)CC(=O)NCC(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] Cn1ncnc1C[NH+](C)CC(=O)NCC(C)(C)[*:1]
Cn1ncnc1C[NH+](C)CC(=O)NCC(C)(C)N1CCOCC1 Cn1ncnc1[*:1] C[NH+](CC(=O)NCC(C)(C)N1CCOCC1)C[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 COC(=O)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCCc2c1cccc2[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] COC(=O)c1cccc2c1CCCN2C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)COC1CCN(C(=O)c2cccc(C(=O)OC(C)(C)C)c2)CC1 CC(C)[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)N1CCC(CC1)OC[*:1]
CC(C)COC1CCN(C(=O)c2cccc(C(=O)OC(C)(C)C)c2)CC1 CC(C)(C)[*:1] CC(C)COC1CCN(CC1)C(=O)c1cccc(c1)C(=O)O[*:1]
CC(C)COC1CCN(C(=O)c2cccc(C(=O)OC(C)(C)C)c2)CC1 CC(C)CO[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)N1CCC(CC1)[*:1]
CC(C)COC1CCN(C(=O)c2cccc(C(=O)OC(C)(C)C)c2)CC1 CC(C)C[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)N1CCC(CC1)O[*:1]
CC(C)COC1CCN(C(=O)c2cccc(C(=O)OC(C)(C)C)c2)CC1 CC(C)(C)OC(=O)[*:1] CC(C)COC1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CS(=O)(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F CS(=O)(=O)CC[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
CS(=O)(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F CS(=O)(=O)[*:1] O=C(NCCC[*:1])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
CS(=O)(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F CS(=O)(=O)CCC[*:1] O=C(N[*:1])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
CS(=O)(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CS(=O)(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1[*:1]
CS(=O)(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F CS(=O)(=O)C[*:1] O=C(NCC[*:1])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)c1cc(C)ccc1OC COc1ccc(C)cc1[*:1] CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)[*:1]
CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)c1cc(C)ccc1OC CCO[*:1] COc1ccc(C)cc1[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1[*:1]
OC[C@]1([NH2+]C2CC2)CC[C@@H](Sc2nc3ccccc3[nH]2)C1 C1CC1[*:1] OC[C@@]1(CC[C@H](C1)Sc1nc2ccccc2[nH]1)[NH2+][*:1]
Cc1ccc(NC(=O)CN(C)C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)CSc1nc(nc2ccccc12)C(F)(F)F
Cc1ccc(NC(=O)CN(C)C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)cc1 Cc1ccc(cc1)NC(=O)[*:1] CN(C[*:1])C(=O)CSc1nc(nc2ccccc12)C(F)(F)F
Cc1ccc(NC(=O)CN(C)C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)CSc1nc(nc2ccccc12)[*:1]
C[C@H](NC(=O)N(C)CCCc1ccccc1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)N(C)CCCc1ccccc1)c1nc(no1)[*:1]
C[C@H](NC(=O)N(C)CCCc1ccccc1)c1nc(C(C)(C)C)no1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N(C)CC[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)N(C)CCCc1ccccc1)c1nc(C(C)(C)C)no1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N(C)CCC[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)N(C)CCCc1ccccc1)c1nc(C(C)(C)C)no1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)N(C)C[*:1])c1nc(no1)C(C)(C)C
C[C@@H]1CN(C(=O)CC2(O)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] C[C@@H]1CN(CC[C@H]1[*:1])C(=O)CC1(O)CCCCC1
C[C@@H]1CN(C(=O)CC2(O)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C OC1(CCCCC1)[*:1] C[C@@H]1CN(CC[C@@H]1NC(=O)OC(C)(C)C)C(=O)C[*:1]
C[C@@H]1CN(C(=O)CC2(O)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C OC1(CCCCC1)C[*:1] C[C@@H]1CN(CC[C@@H]1NC(=O)OC(C)(C)C)C(=O)[*:1]
C[C@@H]1CN(C(=O)CC2(O)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@@H]1CN(CC[C@@H]1NC(=O)O[*:1])C(=O)CC1(O)CCCCC1
CC(C)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 O=[N+]([O-])[*:1] CC(C)c1ccc(cc1)Cn1cnc(n1)[*:1]
CC(C)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 CC(C)[*:1] O=[N+]([O-])c1ncn(Cc2ccc(cc2)[*:1])n1
CC(C)Cn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1N1CCOCC1 CC(C)[*:1] C[C@H](Sc1nnc(N2CCOCC2)n1C[*:1])C(=O)Nc1c(Cl)cc(Cl)cc1Cl
CC(C)Cn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1N1CCOCC1 C1CN(CCO1)[*:1] CC(C)Cn1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
CC(C)Cn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1N1CCOCC1 CC(C)C[*:1] C[C@H](Sc1nnc(N2CCOCC2)n1[*:1])C(=O)Nc1c(Cl)cc(Cl)cc1Cl
CC(C)Cn1c(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1N1CCOCC1 Clc1cc(Cl)c(c(Cl)c1)[*:1] CC(C)Cn1c(nnc1N1CCOCC1)S[C@@H](C)C(=O)N[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 CC[C@@H](C)C[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(c1)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 CC[C@@H](C)[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
O=C(N[C@H]1CCC[C@H](C2CC2)C1)N1CCC[C@@H]1c1nnc2n1CCCCC2 C1CC1[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])N1CCC[C@@H]1c1nnc2CCCCCn21
COc1ccc([C@@H]2CCCN2c2ncc(C(N)=O)cc2Cl)c(OC)c1 NC(=O)[*:1] COc1ccc(c(c1)OC)[C@@H]1CCCN1c1ncc(cc1Cl)[*:1]
CC(C)C(=O)Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1 CC(C)[*:1] O=C(Nc1cccc(c1)Oc1nc2ccccc2n2cnnc12)[*:1]
CC(C)C(=O)Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1 CC(C)C(=O)N[*:1] c1cc(cc(c1)[*:1])Oc1nc2ccccc2n2cnnc12
O=C(Nc1nccs1)C1CCN(S(=O)(=O)C2CCCCC2)CC1 c1csc(n1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)C1CCCCC1
O=C(Nc1nccs1)C1CCN(S(=O)(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(Nc1nccs1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C([O-])C1([C@H]2CS(=O)(=O)C[C@H]2O)CCCC1 O=C([O-])[*:1] O=S1(=O)C[C@@H](O)[C@H](C1)C1(CCCC1)[*:1]
COc1ccc(F)c(NC(=O)NC[C@@H](O)c2cnn(C)c2)c1 Cn1cc(cn1)[*:1] COc1ccc(F)c(c1)NC(=O)NC[C@@H](O)[*:1]
CCc1ccc(O)c(C(=O)N[C@H](c2nccs2)C2CC2)c1 c1csc(n1)[*:1] CCc1ccc(O)c(c1)C(=O)N[C@H](C1CC1)[*:1]
CCc1ccc(O)c(C(=O)N[C@H](c2nccs2)C2CC2)c1 C1CC1[*:1] CCc1ccc(O)c(c1)C(=O)N[C@H](c1nccs1)[*:1]
CC[C@H](OC(=O)/C=C/c1ccccc1)n1nnc2ccccc21 c1ccc(cc1)[*:1] CC[C@H](OC(=O)C=C[*:1])n1nnc2ccccc21
Cc1cc(C)n(CCC(=O)N(C)CCC(N)=S)c(=O)n1 NC(=S)CC[*:1] Cc1cc(C)n(CCC(=O)N(C)[*:1])c(=O)n1
Cc1cc(C)n(CCC(=O)N(C)CCC(N)=S)c(=O)n1 NC(=S)[*:1] Cc1cc(C)n(CCC(=O)N(C)CC[*:1])c(=O)n1
Cc1cc(C)n(CCC(=O)N(C)CCC(N)=S)c(=O)n1 NC(=S)C[*:1] Cc1cc(C)n(CCC(=O)N(C)C[*:1])c(=O)n1
Cc1nc(CNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)oc1C CC(C)(C)[*:1] Cc1nc(CNC(=O)c2cc(ccc2F)NC(=O)[*:1])oc1C
Cc1nc(CNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)oc1C Cc1nc(C[*:1])oc1C CC(C)(C)C(=O)Nc1ccc(F)c(c1)C(=O)N[*:1]
Cc1nc(CNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)oc1C Cc1nc(oc1C)[*:1] CC(C)(C)C(=O)Nc1ccc(F)c(c1)C(=O)NC[*:1]
Cc1nc(CNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)oc1C CC(C)(C)C(=O)N[*:1] Cc1nc(CNC(=O)c2cc(ccc2F)[*:1])oc1C
C[C@H]1CCC[C@H](C(=O)N(C)Cc2ccccc2)[NH2+]1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@@H]([NH2+]1)C(=O)N(C)C[*:1]
CC[C@H](C)Oc1ccc(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 CC[C@H](C)O[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC(CC1)OC[C@H]1CCCO1
CC[C@H](C)Oc1ccc(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 CC[C@H](C)[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CCC(CC1)OC[C@H]1CCCO1
CC[C@H](C)Oc1ccc(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 C1CO[C@H](C1)CO[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)N1CCC(CC1)[*:1]
CC[C@H](C)Oc1ccc(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 C1CO[C@H](C1)[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)N1CCC(CC1)OC[*:1]
CC[C@H](C)Oc1ccc(NC(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 C1CO[C@H](C1)C[*:1] CC[C@H](C)Oc1ccc(cc1)NC(=O)N1CCC(CC1)O[*:1]
CCO[C@H](C)C(=O)N1CCOc2ccccc21 CCO[*:1] C[C@H](C(=O)N1CCOc2ccccc21)[*:1]
CCO[C@H](C)C(=O)N1CCOc2ccccc21 CCO[C@H](C)[*:1] O=C(N1CCOc2ccccc21)[*:1]
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CN(C)CCO1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1C(=O)[C@@H]1CN(C)CCO1)[*:1]
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CN(C)CCO1 CN1CCO[C@@H](C1)[*:1] C[C@@H]1C[C@@H](CN1C(=O)[*:1])c1ccc(F)cc1
COc1ccc(F)cc1-c1nc2c([nH]1)c(-c1cccnc1)nn2C c1cncc(c1)[*:1] COc1ccc(F)cc1-c1nc2c([nH]1)c(nn2C)[*:1]
CCSCC[C@H](C)N(C)C(=O)c1ccc(Cl)cc1 CCSC[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccc(Cl)cc1
CCSCC[C@H](C)N(C)C(=O)c1ccc(Cl)cc1 CCS[*:1] C[C@@H](CC[*:1])N(C)C(=O)c1ccc(Cl)cc1
CCSCC[C@H](C)N(C)C(=O)c1ccc(Cl)cc1 CCSCC[*:1] C[C@H](N(C)C(=O)c1ccc(Cl)cc1)[*:1]
Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H](CO)CC(C)(C)C)c1C NS(=O)(=O)[*:1] Cc1cc(cc(C(=O)N[C@@H](CO)CC(C)(C)C)c1C)[*:1]
Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H](CO)CC(C)(C)C)c1C CC(C)(C)[*:1] Cc1cc(cc(C(=O)N[C@@H](CO)C[*:1])c1C)S(N)(=O)=O
Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H](CO)CC(C)(C)C)c1C CC(C)(C)C[*:1] Cc1cc(cc(C(=O)N[C@@H](CO)[*:1])c1C)S(N)(=O)=O
COC(=O)[C@@H](NC(=O)c1ccc(I)c(F)c1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](NC(=O)c1ccc(I)c(F)c1)[*:1]
COC(=O)[C@@H](NC(=O)c1ccc(I)c(F)c1)c1ccccc1 COC(=O)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1ccc(I)c(F)c1
N#Cc1cccnc1N1CCn2nc(C(=O)NCc3ccccn3)cc2C1 N#Cc1cccnc1[*:1] O=C(NCc1ccccn1)c1cc2CN(CCn2n1)[*:1]
N#Cc1cccnc1N1CCn2nc(C(=O)NCc3ccccn3)cc2C1 c1ccc(nc1)[*:1] N#Cc1cccnc1N1CCn2nc(cc2C1)C(=O)NC[*:1]
N#Cc1cccnc1N1CCn2nc(C(=O)NCc3ccccn3)cc2C1 c1ccc(C[*:1])nc1 N#Cc1cccnc1N1CCn2nc(cc2C1)C(=O)N[*:1]
CCOc1ccc(NC(=O)/N=c2\[nH]nc3cccc(Cl)n23)cc1 CCO[*:1] O=C(/N=c1\[nH]nc2cccc(Cl)n12)Nc1ccc(cc1)[*:1]
C/[NH+]=C(/NCc1coc(-c2ccccc2)n1)NCc1cc(C#N)ccc1F c1ccc(cc1)[*:1] C/[NH+]=C(/NCc1coc(n1)[*:1])NCc1cc(C#N)ccc1F
C/[NH+]=C(/NCc1coc(-c2ccccc2)n1)NCc1cc(C#N)ccc1F N#Cc1ccc(F)c(c1)[*:1] C/[NH+]=C(/NCc1coc(n1)-c1ccccc1)NC[*:1]
Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])NCc1ccc([nH+]c1)N1CCO[C@H](C)C1
COCC(=O)Oc1ccc(-c2ccccc2)cc1Br c1ccc(cc1)[*:1] COCC(=O)Oc1ccc(cc1Br)[*:1]
COCC(=O)Oc1ccc(-c2ccccc2)cc1Br COCC(=O)O[*:1] Brc1cc(ccc1[*:1])-c1ccccc1
COCC(=O)Oc1ccc(-c2ccccc2)cc1Br COC[*:1] O=C(Oc1ccc(cc1Br)-c1ccccc1)[*:1]
CN(CC(C)(C)O)C(=O)CSC(C)(C)C CC(C)(O)[*:1] CN(C[*:1])C(=O)CSC(C)(C)C
CN(CC(C)(C)O)C(=O)CSC(C)(C)C CC(C)(O)C[*:1] CN(C(=O)CSC(C)(C)C)[*:1]
CN(CC(C)(C)O)C(=O)CSC(C)(C)C CC(C)(C)[*:1] CN(CC(C)(C)O)C(=O)CS[*:1]
CN(CC(C)(C)O)C(=O)CSC(C)(C)C CC(C)(C)S[*:1] CN(CC(C)(C)O)C(=O)C[*:1]
Cc1cnc(C(C)(C)NC(=O)Nc2cc(F)ccc2C)s1 Cc1cnc(s1)[*:1] Cc1ccc(F)cc1NC(=O)NC(C)(C)[*:1]
CCN(CC)C(=O)c1cc(-c2ccc(F)cc2)nc2cc(C(C)(C)C)nn12 Fc1ccc(cc1)[*:1] CCN(CC)C(=O)c1cc(nc2cc(nn12)C(C)(C)C)[*:1]
CCN(CC)C(=O)c1cc(-c2ccc(F)cc2)nc2cc(C(C)(C)C)nn12 CCN(CC)C(=O)[*:1] CC(C)(C)c1cc2nc(cc(n2n1)[*:1])-c1ccc(F)cc1
CCN(CC)C(=O)c1cc(-c2ccc(F)cc2)nc2cc(C(C)(C)C)nn12 CC(C)(C)[*:1] CCN(CC)C(=O)c1cc(nc2cc(nn12)[*:1])-c1ccc(F)cc1
Cc1cc(C(=O)OCC(=O)NCC2CCCCC2)on1 Cc1cc(on1)[*:1] O=C(COC(=O)[*:1])NCC1CCCCC1
Cc1cc(C(=O)OCC(=O)NCC2CCCCC2)on1 C1CCC(CC1)[*:1] Cc1cc(on1)C(=O)OCC(=O)NC[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 CC[C@@H](C)[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])N[C@@H]1CCCc2ccccc21
CC[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 CC[C@@H](C)NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CCCc2ccccc21
C[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1cccs1 FC(F)(F)[*:1] C[C@H](Nc1nc(nc2ccccc12)[*:1])c1cccs1
C[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1cccs1 c1csc(c1)[*:1] C[C@H](Nc1nc(nc2ccccc12)C(F)(F)F)[*:1]
C[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1cccs1 C[C@H](c1cccs1)[*:1] FC(F)(F)c1nc(N[*:1])c2ccccc2n1
C[C@H]([NH2+]C[C@H](O)C1CCCC1)c1ccc(-n2cnnn2)cc1 O[C@H](C1CCCC1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(cc1)-n1cnnn1
C[C@H]([NH2+]C[C@H](O)C1CCCC1)c1ccc(-n2cnnn2)cc1 C1CCC(C1)[*:1] C[C@H]([NH2+]C[C@H](O)[*:1])c1ccc(cc1)-n1cnnn1
C[C@H]([NH2+]C[C@H](O)C1CCCC1)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] C[C@H]([NH2+]C[C@H](O)C1CCCC1)c1ccc(cc1)[*:1]
Oc1cccc(-c2nc(C3CCOCC3)cs2)c1 C1CC(CCO1)[*:1] Oc1cccc(c1)-c1nc(cs1)[*:1]
Cc1cc(C)c(C(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)[nH]1 CC(C)[*:1] Cc1cc(C)c(C(=O)N[C@H](C(=O)[O-])[*:1])c(=O)[nH]1
Cc1cc(C)c(C(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)[nH]1 O=C([O-])[*:1] Cc1cc(C)c(C(=O)N[C@H](C(C)C)[*:1])c(=O)[nH]1
CCSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]cn3)C2)cn1 CCS[*:1] O=c1cc(nc[nH]1)[C@@H]1CCCN(Cc2cnc(nc2)[*:1])C1
CCSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]cn3)C2)cn1 O=c1cc(nc[nH]1)[*:1] CCSc1ncc(cn1)CN1CCC[C@@H](C1)[*:1]
CCN(C/C(Cl)=C/Cl)C[C@@H](C)C(=O)[O-] Cl/C=C(\Cl)[*:1] CCN(C[C@@H](C)C(=O)[O-])C[*:1]
CCN(C/C(Cl)=C/Cl)C[C@@H](C)C(=O)[O-] O=C([O-])[*:1] CCN(C/C(Cl)=C/Cl)C[C@@H](C)[*:1]
COc1ccc(O[C@@H](C)C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1 C1CC1[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(O[C@@H](C)C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1 COc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCC(CC1)C(=O)NC1CC1
COc1ccc(O[C@@H](C)C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1 O=C(NC1CC1)[*:1] COc1ccc(cc1)O[C@@H](C)C(=O)N1CCC(CC1)[*:1]
CCc1ccc([C@@H](C)NC(=O)Nc2ccc([N-]S(C)(=O)=O)cc2)cc1 CCc1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)[N-]S(C)(=O)=O)[*:1]
N#C[C@H](COC(=O)C[C@@H]1C=CCC1)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#C[C@H](COC(=O)C[C@@H]1C=CCC1)C[*:1]
CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 C1CO[C@H](C1)[*:1] CCN(C[*:1])C(=O)N[C@H](C)c1nc(no1)C1CCCC1
CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)c1nc(no1)[*:1]
CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 C1CO[C@H](C1)C[*:1] CCN(C(=O)N[C@H](C)c1nc(no1)C1CCCC1)[*:1]
Cc1noc([C@@H](C)OC(=O)[C@H](C)SCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@@H](C)OC(=O)[C@H](C)SC[*:1]
Cc1noc([C@@H](C)OC(=O)[C@H](C)SCc2ccccc2)n1 Cc1noc(n1)[*:1] C[C@H](SCc1ccccc1)C(=O)O[C@H](C)[*:1]
Cc1noc([C@@H](C)OC(=O)[C@H](C)SCc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1noc(n1)[C@@H](C)OC(=O)[C@H](C)S[*:1]
Cc1nc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)no1 Cc1nc(no1)[*:1] O=C(Nc1cccc(c1)NC(=O)c1ccccc1SC[*:1])c1cccnc1
Cc1nc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)no1 Cc1nc(C[*:1])no1 O=C(Nc1cccc(c1)NC(=O)c1ccccc1S[*:1])c1cccnc1
Cc1nc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)no1 O=C(N[*:1])c1cccnc1 Cc1nc(CSc2ccccc2C(=O)Nc2cccc(c2)[*:1])no1
Cc1nc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)no1 Cc1nc(CS[*:1])no1 O=C(Nc1cccc(c1)NC(=O)c1ccccc1[*:1])c1cccnc1
Cc1nc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)no1 c1cncc(c1)[*:1] Cc1nc(CSc2ccccc2C(=O)Nc2cccc(c2)NC(=O)[*:1])no1
CCOC(=O)[C@@H](C)c1nc(-c2cc(F)ccc2C)no1 CCOC(=O)[*:1] Cc1ccc(F)cc1-c1noc(n1)[C@H](C)[*:1]
CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1SC CC[C@@H](CO)[*:1] CSc1ccccc1NC(=O)C(=O)N[*:1]
COCC[C@H](C)C(=O)N1CC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] COCC[C@H](C)C(=O)N1CC[C@H](C1)N[*:1]
COCC[C@H](C)C(=O)N1CC[C@@H](Nc2ccccc2)C1 COC[*:1] C[C@@H](C[*:1])C(=O)N1CC[C@H](C1)Nc1ccccc1
COCC[C@H](C)C(=O)N1CC[C@@H](Nc2ccccc2)C1 COCC[C@H](C)[*:1] O=C(N1CC[C@H](C1)Nc1ccccc1)[*:1]
COCC[C@H](C)C(=O)N1CC[C@@H](Nc2ccccc2)C1 COCC[*:1] C[C@H](C(=O)N1CC[C@H](C1)Nc1ccccc1)[*:1]
CC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-] CC(C)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N[C@H](C(=O)[O-])[*:1]
CC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)[*:1]
CC(C)(C)n1nc2c(c1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2 CC(C)(C)[*:1] O=C(/C=C\c1ccc(cc1)[N+](=O)[O-])Nc1c2CS(=O)(=O)Cc2nn1[*:1]
CC(C)(C)n1nc2c(c1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2 O=[N+]([O-])[*:1] CC(C)(C)n1nc2CS(=O)(=O)Cc2c1NC(=O)/C=C\c1ccc(cc1)[*:1]
CC(C)(C)n1nc2c(c1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2 O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)(C)n1nc2CS(=O)(=O)Cc2c1NC(=O)C=C[*:1]
COC(=O)[C@@H](C)S(=O)(=O)N(C)c1snc(C)c1C(=O)[O-] O=C([O-])[*:1] COC(=O)[C@@H](C)S(=O)(=O)N(C)c1snc(C)c1[*:1]
COC(=O)[C@@H](C)S(=O)(=O)N(C)c1snc(C)c1C(=O)[O-] COC(=O)[C@@H](C)[*:1] Cc1nsc(c1C(=O)[O-])N(C)S(=O)(=O)[*:1]
COC(=O)[C@@H](C)S(=O)(=O)N(C)c1snc(C)c1C(=O)[O-] COC(=O)[*:1] Cc1nsc(c1C(=O)[O-])N(C)S(=O)(=O)[C@H](C)[*:1]
CN(CC(=O)Nc1ccccc1)C(=O)c1nc[nH]n1 c1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)c1nc[nH]n1
COCCCC(=O)Nc1cc(C)c(N)cn1 COCC[*:1] Cc1cc(ncc1N)NC(=O)C[*:1]
COCCCC(=O)Nc1cc(C)c(N)cn1 COC[*:1] Cc1cc(ncc1N)NC(=O)CC[*:1]
COCCCC(=O)Nc1cc(C)c(N)cn1 COCCC[*:1] Cc1cc(ncc1N)NC(=O)[*:1]
N#Cc1ccc(F)c(CNC(=O)c2sccc2SC(F)F)c1 FC(F)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1sccc1S[*:1]
N#Cc1ccc(F)c(CNC(=O)c2sccc2SC(F)F)c1 FC(F)S[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1sccc1[*:1]
CCCC(CCC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1O2 CCC[*:1] CCCC(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1O2)[*:1]
COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccccc3OC)c(=O)n12 COC(=O)[*:1] COc1ccccc1/C=c1\sc2=N[C@@]3(C)Oc4ccccc4[C@H]([C@@H]3[*:1])n2c1=O
COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccccc3OC)c(=O)n12 COc1ccccc1[*:1] COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1sc(=C[*:1])c(=O)n12
CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)[*:1]
CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccs1 CC(C)(C)[*:1] O=C(CNC(=O)c1cccs1)N[C@H]1CCCC[C@H]1[*:1]
CNC(=O)Cc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 CNC(=O)C[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1ccc(cc1)[*:1]
CNC(=O)Cc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 CNC(=O)[*:1] C[NH+]1CCC(CC1)NC(=O)Nc1ccc(cc1)C[*:1]
Cc1nn2cccnc2c1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 Fc1cccc(c1)O[*:1] Cc1nn2cccnc2c1C(=O)Nc1ccc(cc1)[*:1]
Cc1nn2cccnc2c1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] Cc1nn2cccnc2c1C(=O)Nc1ccc(cc1)O[*:1]
O=C(CCc1nc2ccccc2s1)Oc1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 O=C(CCc1nc2ccccc2s1)Oc1cccc(c1)[*:1]
O=C(CCc1nc2ccccc2s1)Oc1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] O=C(CCc1nc2ccccc2s1)Oc1cccc(c1)NC(=O)[*:1]
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[*:1]
O=C(CCCc1ccccc1)NCc1nc(-c2cccs2)no1 c1csc(c1)[*:1] O=C(CCCc1ccccc1)NCc1nc(no1)[*:1]
O=C(CCCc1ccccc1)NCc1nc(-c2cccs2)no1 c1ccc(cc1)C[*:1] O=C(CC[*:1])NCc1nc(no1)-c1cccs1
O=C(CCCc1ccccc1)NCc1nc(-c2cccs2)no1 c1ccc(cc1)[*:1] O=C(CCC[*:1])NCc1nc(no1)-c1cccs1
NC(=O)C1([NH2+]CC(=O)Nc2cccnc2Cl)CCCC1 NC(=O)[*:1] O=C(C[NH2+]C1(CCCC1)[*:1])Nc1cccnc1Cl
C#Cc1cc(F)c(NC(=O)[C@H](C)Cc2c(C)noc2C)c(F)c1 Cc1noc(C)c1[*:1] C#Cc1cc(F)c(NC(=O)[C@H](C)C[*:1])c(F)c1
CC(=O)c1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)nc1 CC(=O)[*:1] O=C1CC[C@@]2(CCCN(C2)c2ccc(cn2)[*:1])CN1Cc1ccncc1
CC(=O)c1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)nc1 CC(=O)c1ccc(nc1)[*:1] O=C1CC[C@@]2(CCCN(C2)[*:1])CN1Cc1ccncc1
CC(=O)c1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)nc1 c1cc(ccn1)C[*:1] CC(=O)c1ccc(nc1)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
CC(=O)c1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)nc1 c1cc(ccn1)[*:1] CC(=O)c1ccc(nc1)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
Cc1ccc2[nH]c3c(=O)n(CC(=O)[O-])cnc3c2c1 O=C([O-])[*:1] Cc1ccc2[nH]c3c(=O)n(cnc3c2c1)C[*:1]
Cc1ccc2[nH]c3c(=O)n(CC(=O)[O-])cnc3c2c1 O=C([O-])C[*:1] Cc1ccc2[nH]c3c(=O)n(cnc3c2c1)[*:1]
CC[NH+](CCO)Cc1nc(C)c(C)s1 OCC[*:1] CC[NH+](Cc1nc(C)c(C)s1)[*:1]
Cc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)o1 Cc1ccc(o1)[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1cccs1
Cc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)o1 c1csc(c1)[*:1] Cc1ccc(o1)[C@@H](O)CNC(=O)C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)[*:1]
CC[NH+]1CCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC[NH+]1CCN(CC1)Cc1nc2cc(Cl)ccc2n1[*:1]
CC[NH+]1CCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)Cc1nc2cc(Cl)ccc2n1C[*:1]
O=C1[C@@H](NS(=O)(=O)c2cncc(F)c2)CCN1c1ccccc1 Fc1cncc(c1)[*:1] O=C1[C@H](CCN1c1ccccc1)NS(=O)(=O)[*:1]
O=C1[C@@H](NS(=O)(=O)c2cncc(F)c2)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCN1[*:1])NS(=O)(=O)c1cncc(F)c1
O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nn1cnc2c(cnn2[*:1])c1=O)c1cccc(Cl)c1
O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)[*:1]
COc1cccc(CN(C)C(=O)NC[C@H](OC)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CN(C)C(=O)NC[C@H](OC)[*:1]
COc1cccc(CN(C)C(=O)NC[C@H](OC)c2ccc(F)cc2)c1 COc1cccc(c1)[*:1] CO[C@@H](CNC(=O)N(C)C[*:1])c1ccc(F)cc1
CCN(CC)C(=O)[C@H]1CSCN1C(=O)COc1ccc(OC)cc1 CCN(CC)C(=O)[*:1] COc1ccc(cc1)OCC(=O)N1CSC[C@@H]1[*:1]
CCN(CC)C(=O)[C@H]1CSCN1C(=O)COc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(CC)C(=O)[C@H]1CSCN1C(=O)CO[*:1]
CC(=O)Nc1nnc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)s1 CC(=O)N[*:1] O=S(=O)(c1nnc(s1)[*:1])N1CCC(CC1)Cc1ccccc1
CC(=O)Nc1nnc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)s1 c1ccc(cc1)C[*:1] CC(=O)Nc1nnc(s1)S(=O)(=O)N1CCC(CC1)[*:1]
CC(=O)Nc1nnc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)s1 c1ccc(cc1)[*:1] CC(=O)Nc1nnc(s1)S(=O)(=O)N1CCC(CC1)C[*:1]
CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCO2 CCCO[*:1] Clc1cc(Cl)c(c(c1)C[NH2+]Cc1ccc2OCOc2c1)[*:1]
CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCO2 CCC[*:1] Clc1cc(Cl)c(O[*:1])c(c1)C[NH2+]Cc1ccc2OCOc2c1
CN(C)c1cccc(CNC(=O)NCC(C)(C)CCO)c1 OCC[*:1] CN(C)c1cccc(c1)CNC(=O)NCC(C)(C)[*:1]
CN(C)c1cccc(CNC(=O)NCC(C)(C)CCO)c1 CC(C)(CCO)C[*:1] CN(C)c1cccc(c1)CNC(=O)N[*:1]
CN(C)c1cccc(CNC(=O)NCC(C)(C)CCO)c1 CN(C)[*:1] CC(C)(CCO)CNC(=O)NCc1cccc(c1)[*:1]
CN(C)c1cccc(CNC(=O)NCC(C)(C)CCO)c1 CC(C)(CCO)[*:1] CN(C)c1cccc(c1)CNC(=O)NC[*:1]
Cc1nc([C@H](NC(=O)c2cc(C(N)=O)c[nH]2)c2ccc(Cl)cc2)no1 NC(=O)[*:1] Cc1nc(no1)[C@H](NC(=O)c1cc(c[nH]1)[*:1])c1ccc(Cl)cc1
Cc1nc([C@H](NC(=O)c2cc(C(N)=O)c[nH]2)c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1nc(no1)[C@H](NC(=O)c1cc(c[nH]1)C(N)=O)[*:1]
Cc1nc([C@H](NC(=O)c2cc(C(N)=O)c[nH]2)c2ccc(Cl)cc2)no1 NC(=O)c1c[nH]c(c1)[*:1] Cc1nc(no1)[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
Cc1nc([C@H](NC(=O)c2cc(C(N)=O)c[nH]2)c2ccc(Cl)cc2)no1 Cc1nc(no1)[*:1] NC(=O)c1c[nH]c(c1)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
Cc1ccc(-c2cc(CS[C@H](C)CCO)on2)cc1 C[C@H](CCO)[*:1] Cc1ccc(cc1)-c1cc(CS[*:1])on1
Cc1ccc(-c2cc(CS[C@H](C)CCO)on2)cc1 OCC[*:1] Cc1ccc(cc1)-c1cc(CS[C@H](C)[*:1])on1
COc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C(=O)N(CC(=O)N1C[*:1])C1CCCCC1
COc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C1[C@@H](N(Cc2ccc(Cl)cc2)C(=O)CN1C1CCCCC1)[*:1]
COc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@H]1C(=O)N(CC(=O)N1[*:1])C1CCCCC1
COc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)[C@H]1C(=O)N(CC(=O)N1Cc1ccc(Cl)cc1)[*:1]
Cc1cc(CC(=O)C(=O)[O-])cc2cn[nH]c12 O=C([O-])C(=O)[*:1] Cc1cc(cc2cn[nH]c12)C[*:1]
Cc1cc(C)c(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1cc(C)c(C(=O)NNC(=O)c2cc(on2)[*:1])c(=O)[nH]1
CCCn1c(C)cc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)c1C CCC[*:1] Cc1cc(C(=O)COC(=O)[C@H]2COc3ccccc3O2)c(C)n1[*:1]
CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C Cc1ccc(cc1)[*:1] CC[C@@H](NS(=O)(=O)[*:1])C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C
CN1CCO[C@H](CN(C)c2cccc(/C(N)=N/O)c2)C1 N/C(=N\O)[*:1] CN1CCO[C@@H](C1)CN(C)c1cccc(c1)[*:1]
CC(C)Cc1ncc(CNc2ccc(S(=O)(=O)C(F)F)cc2)s1 FC(F)[*:1] CC(C)Cc1ncc(CNc2ccc(cc2)S(=O)(=O)[*:1])s1
CC(C)Cc1ncc(CNc2ccc(S(=O)(=O)C(F)F)cc2)s1 O=S(=O)(C(F)F)[*:1] CC(C)Cc1ncc(CNc2ccc(cc2)[*:1])s1
CC(C)Cc1ncc(CNc2ccc(S(=O)(=O)C(F)F)cc2)s1 CC(C)[*:1] O=S(=O)(c1ccc(cc1)NCc1cnc(C[*:1])s1)C(F)F
CC(C)Cc1ncc(CNc2ccc(S(=O)(=O)C(F)F)cc2)s1 CC(C)C[*:1] O=S(=O)(c1ccc(cc1)NCc1cnc(s1)[*:1])C(F)F
Cc1cc(NC(=O)NCC(=O)NC2CC2)ccc1C(=O)NC(C)C O=C(NC1CC1)[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)NC[*:1]
Cc1cc(NC(=O)NCC(=O)NC2CC2)ccc1C(=O)NC(C)C O=C(C[*:1])NC1CC1 Cc1cc(ccc1C(=O)NC(C)C)NC(=O)N[*:1]
Cc1cc(NC(=O)NCC(=O)NC2CC2)ccc1C(=O)NC(C)C CC(C)[*:1] Cc1cc(ccc1C(=O)N[*:1])NC(=O)NCC(=O)NC1CC1
Cc1cc(NC(=O)NCC(=O)NC2CC2)ccc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NCC(=O)NC1CC1
Cc1cc(NC(=O)NCC(=O)NC2CC2)ccc1C(=O)NC(C)C C1CC1[*:1] Cc1cc(ccc1C(=O)NC(C)C)NC(=O)NCC(=O)N[*:1]
CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1ccc(C#N)cc1C c1cc(ccn1)[*:1] CC[C@H](N(C)S(=O)(=O)c1ccc(C#N)cc1C)[*:1]
CCc1c(C)nc(N[C@@H](C)CC)n2c(=O)[nH]nc12 CC[C@H](C)N[*:1] CCc1c(C)nc(n2c(=O)[nH]nc12)[*:1]
CCc1c(C)nc(N[C@@H](C)CC)n2c(=O)[nH]nc12 CC[C@H](C)[*:1] CCc1c(C)nc(N[*:1])n2c(=O)[nH]nc12
Cc1nn(C)c2nc(NCC(C)(C)CO)sc12 CC(C)(CO)[*:1] Cc1nn(C)c2nc(NC[*:1])sc12
Cc1ccc2c(c1)CCN2C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 NC(=O)[*:1] Cc1ccc2c(c1)CCN2C(=O)N[C@@H]1CCC[C@@H](C1)[*:1]
N#Cc1cc(NCCc2n[nH]c(=O)[nH]2)nc2ccc(Cl)cc12 O=c1[nH]nc(C[*:1])[nH]1 N#Cc1cc(nc2ccc(Cl)cc12)NC[*:1]
N#Cc1cc(NCCc2n[nH]c(=O)[nH]2)nc2ccc(Cl)cc12 O=c1[nH]nc([nH]1)[*:1] N#Cc1cc(nc2ccc(Cl)cc12)NCC[*:1]
CCOc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)CN1C(=O)CNC1=O
CCOc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 O=C1CNC(=O)N1[*:1] CCOc1ccc(cc1)NC(=O)c1ccc(cc1)C[*:1]
CCOc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 O=C1CNC(=O)N1C[*:1] CCOc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
CC[C@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)Cc1c(C)nn(C)c1Cl Cc1nn(C)c(Cl)c1[*:1] CC[C@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)C[*:1]
COC(=O)/C=C1\CNS(=O)(=O)c2ccccc21 COC(=O)[*:1] O=S1(=O)NCC(=C[*:1])c2ccccc21
CC(=O)c1sc2nc(-c3ccc(OC(C)C)cc3)cn2c1C CC(=O)[*:1] Cc1c(sc2nc(cn12)-c1ccc(cc1)OC(C)C)[*:1]
CC(=O)c1sc2nc(-c3ccc(OC(C)C)cc3)cn2c1C CC(C)[*:1] CC(=O)c1sc2nc(cn2c1C)-c1ccc(cc1)O[*:1]
CC(=O)c1sc2nc(-c3ccc(OC(C)C)cc3)cn2c1C CC(C)O[*:1] CC(=O)c1sc2nc(cn2c1C)-c1ccc(cc1)[*:1]
CCn1c(C)nc2cc(C(=O)N/N=C/c3c(C)nn4c3nc(N3CCCC3)c3ccccc34)ccc21 CCn1c(C)nc2cc(ccc21)[*:1] Cc1nn2c(nc(c3ccccc32)N2CCCC2)c1/C=N/NC(=O)[*:1]
CCn1c(C)nc2cc(C(=O)N/N=C/c3c(C)nn4c3nc(N3CCCC3)c3ccccc34)ccc21 C1CCN(C1)[*:1] CCn1c(C)nc2cc(ccc21)C(=O)N/N=C/c1c(C)nn2c1nc(c1ccccc12)[*:1]
O=C(c1ccccc1F)N1CCO[C@H](c2ccccc2)C1 Fc1ccccc1[*:1] O=C(N1CCO[C@@H](C1)c1ccccc1)[*:1]
O=C(c1ccccc1F)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccccc1F)N1CCO[C@H](C1)[*:1]
CCCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(CC)cc1 CCC[*:1] CCc1ccc(cc1)NC(=O)[C@@H](C)S(=O)(=O)C[*:1]
CCCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(CC)cc1 CCCC[*:1] CCc1ccc(cc1)NC(=O)[C@@H](C)S(=O)(=O)[*:1]
Cc1nn(C)c(Cl)c1CS[C@H](C)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn(C)c(Cl)c1CS[C@H](C)C(=O)NC[*:1]
Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2 Clc1cc(Cl)cc(c1)[*:1] Nc1nc(nc2NC(=O)C[C@@H](C(=O)N[*:1])c12)N1CCCC1
Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2 C1CCN(C1)[*:1] Nc1nc(nc2NC(=O)C[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)c12)[*:1]
CCc1ccc(Oc2ncnc(N3CCC(C(=O)OC)CC3)c2N)cc1 CCc1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)c1ncnc(O[*:1])c1N
CCc1ccc(Oc2ncnc(N3CCC(C(=O)OC)CC3)c2N)cc1 COC(=O)[*:1] CCc1ccc(cc1)Oc1ncnc(c1N)N1CCC(CC1)[*:1]
CC(C)NC(=O)Nc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] CC(C)NC(=O)Nc1ccc(cc1)CNC(=O)C(=O)N[*:1]
CC(C)NC(=O)Nc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2F)cc1 CC(C)NC(=O)N[*:1] O=C(NCc1ccc(cc1)[*:1])C(=O)Nc1ccc(F)cc1F
CC(C)NC(=O)Nc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2F)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)CNC(=O)C(=O)Nc1ccc(F)cc1F)N[*:1]
O=C(CSc1nc(-c2ccccc2)c[nH]1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CSc1nc(c[nH]1)-c1ccccc1)N1CCN(CC1)[*:1]
O=C(CSc1nc(-c2ccccc2)c[nH]1)N1CCN(c2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc(c[nH]1)[*:1])N1CCN(CC1)c1ccccc1F
CCCNC(=O)C[NH2+]Cc1cscn1 CCC[*:1] O=C(C[NH2+]Cc1cscn1)N[*:1]
C[C@H](NC(=O)CSc1ccccc1Cl)c1nc2ccccc2[nH]1 Clc1ccccc1[*:1] C[C@H](NC(=O)CS[*:1])c1nc2ccccc2[nH]1
CCC[NH+](CCC)CC1(CS)CCOCC1 CCC[*:1] CCC[NH+](CC1(CS)CCOCC1)[*:1]
O=C(CCc1ccccc1)NC[C@@H](O)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CC[*:1])NC[C@@H](O)c1ccc(F)cc1
O=C(CCc1ccccc1)NC[C@@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCc1ccccc1)NC[C@@H](O)[*:1]
O=C(CCc1ccccc1)NC[C@@H](O)c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(C[*:1])NC[C@@H](O)c1ccc(F)cc1
Cc1ccc(OCCNC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Fc1ccccc1C[*:1] Cc1ccc(cc1)OCCNC(=O)N1CCC(CC1)O[*:1]
Cc1ccc(OCCNC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(NCC[*:1])N1CCC(CC1)OCc1ccccc1F
Cc1ccc(OCCNC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)OCCNC(=O)N1CCC(CC1)OC[*:1]
Cc1ccc(OCCNC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Fc1ccccc1CO[*:1] Cc1ccc(cc1)OCCNC(=O)N1CCC(CC1)[*:1]
Cc1ccc(OCCNC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Cc1ccc(cc1)OC[*:1] O=C(NC[*:1])N1CCC(CC1)OCc1ccccc1F
Cc1ccc(OCCNC(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])N1CCC(CC1)OCc1ccccc1F
Clc1ccc(-c2nc(-c3cccnc3)no2)cn1 c1cncc(c1)[*:1] Clc1ccc(cn1)-c1nc(no1)[*:1]
CC/[NH+]=C(/NCc1ccc(C#N)cc1)N[C@@H]1CCCN(C(=O)OC)C1 N#Cc1ccc(cc1)[*:1] CC/[NH+]=C(/NC[*:1])N[C@@H]1CCCN(C1)C(=O)OC
O=[N+]([O-])c1ccc(NCc2[nH]c(-c3ccccc3)c[nH+]2)c2ncccc12 O=[N+]([O-])[*:1] c1ccc(cc1)-c1c[nH+]c(CNc2ccc(c3cccnc23)[*:1])[nH]1
O=[N+]([O-])c1ccc(NCc2[nH]c(-c3ccccc3)c[nH+]2)c2ncccc12 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(NCc2[nH]c(c[nH+]2)[*:1])c2ncccc12
CCCNc1nccc(-c2ccc(F)c(F)c2)n1 CCCN[*:1] Fc1ccc(cc1F)-c1ccnc(n1)[*:1]
CCCNc1nccc(-c2ccc(F)c(F)c2)n1 CCC[*:1] Fc1ccc(cc1F)-c1ccnc(n1)N[*:1]
C[C@@H](Nc1ccc(C(N)=O)nn1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](Nc1ccc(nn1)C(N)=O)[*:1]
C[C@@H](Nc1ccc(C(N)=O)nn1)C(=O)N(C)C NC(=O)[*:1] C[C@@H](Nc1ccc(nn1)[*:1])C(=O)N(C)C
Cc1ccc(Oc2ncnc(Nc3ccc(F)c(F)c3)c2N)cc1 Fc1ccc(cc1F)[*:1] Cc1ccc(cc1)Oc1ncnc(N[*:1])c1N
Cc1ccc(Oc2ncnc(Nc3ccc(F)c(F)c3)c2N)cc1 Cc1ccc(cc1)O[*:1] Nc1c(ncnc1[*:1])Nc1ccc(F)c(F)c1
Cc1ccc(Oc2ncnc(Nc3ccc(F)c(F)c3)c2N)cc1 Cc1ccc(cc1)[*:1] Nc1c(ncnc1O[*:1])Nc1ccc(F)c(F)c1
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C[C@H](O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)C[C@H](O)[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C[C@H](O)c2ccc(Cl)cc2)C1 CC[S@](=O)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@H]1CCC[C@@H](C1)[*:1]
C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)[*:1]
C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cn1 Clc1ccc(cc1)[*:1] C[C@@H](NCC(=O)N[*:1])c1ccc(F)cn1
CCN(CC)c1nc2sc(C(=O)Nc3cccnc3-n3cccn3)cc2s1 c1cnn(c1)[*:1] CCN(CC)c1nc2sc(cc2s1)C(=O)Nc1cccnc1[*:1]
CCN(CC)c1nc2sc(C(=O)Nc3cccnc3-n3cccn3)cc2s1 CCN(CC)[*:1] O=C(Nc1cccnc1-n1cccn1)c1cc2sc(nc2s1)[*:1]
O=C1CC[C@]2(CCCN(c3cnccn3)C2)CN1CCc1c[nH]c[nH+]1 c1cnc(cn1)[*:1] O=C1CC[C@]2(CCCN(C2)[*:1])CN1CCc1c[nH]c[nH+]1
Cc1ccc(/C=C2\SC(=O)N(c3cccc(C)c3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)N1C(=O)SC(=C[*:1])C1=O
Cc1ccc(/C=C2\SC(=O)N(c3cccc(C)c3)C2=O)cc1 Cc1cccc(c1)[*:1] Cc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1
CC1CCN(C(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(F)(F)F)o2)CC1 CC1CCN(CC1)C(=O)[*:1] N#CC(=Cc1ccc(o1)-c1ccccc1C(F)(F)F)[*:1]
CC1CCN(C(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(F)(F)F)o2)CC1 FC(F)(F)[*:1] CC1CCN(CC1)C(=O)/C(C#N)=C/c1ccc(o1)-c1ccccc1[*:1]
COC(=O)c1cncc(N2C[C@@H](C)OC[C@H]2C)n1 COC(=O)[*:1] C[C@@H]1CN(c2cncc(n2)[*:1])[C@H](C)CO1
CCCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2ccncc2)C1 CCCNC(=O)[*:1] Cc1cccc(c1)-c1ccccc1C[C@]1(CCN(C1)C(=O)c1ccncc1)[*:1]
CCCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2ccncc2)C1 Cc1cccc(c1)[*:1] CCCNC(=O)[C@]1(CCN(C1)C(=O)c1ccncc1)Cc1ccccc1[*:1]
CCCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2ccncc2)C1 c1cc(ccn1)[*:1] CCCNC(=O)[C@]1(CCN(C1)C(=O)[*:1])Cc1ccccc1-c1cccc(C)c1
CCCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2ccncc2)C1 CCC[*:1] Cc1cccc(c1)-c1ccccc1C[C@@]1(CCN(C1)C(=O)c1ccncc1)C(=O)N[*:1]
C[C@H](CNC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(NC[*:1])c1cccc(c1)N1CCCS1(=O)=O
C[C@H](CNC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 O=S1(=O)CCCN1[*:1] C[C@H](CNC(=O)c1cccc(c1)[*:1])c1ccccc1
C[C@H](CNC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)c1cccc(c1)N1CCCS1(=O)=O)[*:1]
CS(=O)(=O)N[C@H]1C[C@H]2C[C@@H]1N(C(=O)c1n[nH]c3ccccc13)C2 CS(=O)(=O)N[*:1] O=C(c1n[nH]c2ccccc12)N1C[C@@H]2C[C@H]1[C@H](C2)[*:1]
N#Cc1cccc(C(=O)NNC(=O)CN[C@@H](c2ccccc2)C2CCC2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)C(=O)NNC(=O)CN[C@@H](C1CCC1)[*:1]
N#Cc1cccc(C(=O)NNC(=O)CN[C@@H](c2ccccc2)C2CCC2)c1 C1CC(C1)[*:1] N#Cc1cccc(c1)C(=O)NNC(=O)CN[C@@H](c1ccccc1)[*:1]
N#Cc1cccc(C(=O)NNC(=O)CN[C@@H](c2ccccc2)C2CCC2)c1 N#Cc1cccc(c1)[*:1] O=C(CN[C@@H](c1ccccc1)C1CCC1)NNC(=O)[*:1]
C[C@@H](NC(=O)CCCn1ccnn1)c1ccc(-c2ccc(F)cc2)cc1 c1cn(CC[*:1])nn1 C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@@H](NC(=O)CCCn1ccnn1)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCCn1ccnn1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)CCCn1ccnn1)c1ccc(-c2ccc(F)cc2)cc1 c1cn(nn1)[*:1] C[C@@H](NC(=O)CCC[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@@H](NC(=O)CCCn1ccnn1)c1ccc(-c2ccc(F)cc2)cc1 c1cn(CCC[*:1])nn1 C[C@@H](NC(=O)[*:1])c1ccc(cc1)-c1ccc(F)cc1
C[C@@H](NC(=O)CCCn1ccnn1)c1ccc(-c2ccc(F)cc2)cc1 c1cn(C[*:1])nn1 C[C@@H](NC(=O)CC[*:1])c1ccc(cc1)-c1ccc(F)cc1
CC[C@H]1CN(C(=O)Nc2ccc3c(c2)COC3)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CC[C@@H]1[*:1])C(=O)Nc1ccc2COCc2c1
CCOc1ccc(C(=O)/N=c2\sc3cccc(F)c3n2C)cc1 CCO[*:1] Cn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cccc(F)c21
CCN(CC)c1ccc(C(=O)Nc2ccccc2O)c(O)c1 Oc1ccccc1[*:1] CCN(CC)c1ccc(C(=O)N[*:1])c(O)c1
CCN(CC)c1ccc(C(=O)Nc2ccccc2O)c(O)c1 CCN(CC)[*:1] O=C(Nc1ccccc1O)c1ccc(cc1O)[*:1]
CC[C@H](NC(=O)c1ccncc1Cl)c1cccc(S(N)(=O)=O)c1 Clc1cnccc1[*:1] CC[C@H](NC(=O)[*:1])c1cccc(c1)S(N)(=O)=O
CC[C@H](NC(=O)c1ccncc1Cl)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CC[C@H](NC(=O)c1ccncc1Cl)c1cccc(c1)[*:1]
O=C1Nc2ccccc2O[C@@H]1CC(=O)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C1Nc2ccccc2O[C@@H]1CC(=O)N(Cc1ccccc1)[*:1]
O=C1Nc2ccccc2O[C@@H]1CC(=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C1Nc2ccccc2O[C@@H]1CC(=O)N(C1CC1)[*:1]
O=C1Nc2ccccc2O[C@@H]1CC(=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C1Nc2ccccc2O[C@@H]1CC(=O)N(C[*:1])C1CC1
Nc1cc(-c2ccccc2)nn1S(=O)(=O)c1ccc(C2CCCCC2)cc1 C1CCC(CC1)[*:1] Nc1cc(nn1S(=O)(=O)c1ccc(cc1)[*:1])-c1ccccc1
Nc1cc(-c2ccccc2)nn1S(=O)(=O)c1ccc(C2CCCCC2)cc1 c1ccc(cc1)[*:1] Nc1cc(nn1S(=O)(=O)c1ccc(cc1)C1CCCCC1)[*:1]
C/C(CC(C)C)=N/Nc1nc(-c2cc3ccccc3oc2=O)cs1 CC(C)[*:1] C/C(C[*:1])=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O
C/C(CC(C)C)=N/Nc1nc(-c2cc3ccccc3oc2=O)cs1 CC(C)C[*:1] CC(=NNc1nc(cs1)-c1cc2ccccc2oc1=O)[*:1]
C/C(CC(C)C)=N/Nc1nc(-c2cc3ccccc3oc2=O)cs1 C/C(CC(C)C)=N/N[*:1] O=c1oc2ccccc2cc1-c1csc(n1)[*:1]
O=C(CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CCN(CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N[*:1]
O=C(CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC[*:1]
Cc1nc(C)c(CNC(=O)c2ccc(-c3cc[nH]n3)cc2)s1 Cc1nc(C)c(s1)[*:1] O=C(NC[*:1])c1ccc(cc1)-c1cc[nH]n1
Cc1nc(C)c(CNC(=O)c2ccc(-c3cc[nH]n3)cc2)s1 c1cc(n[nH]1)[*:1] Cc1nc(C)c(CNC(=O)c2ccc(cc2)[*:1])s1
CC(C)Cn1ccnc(NCC(C)(C)CC2CCOCC2)c1=O CC(C)C[*:1] CC(C)(CNc1nccn(c1=O)[*:1])CC1CCOCC1
CC(C)Cn1ccnc(NCC(C)(C)CC2CCOCC2)c1=O C1CC(CCO1)[*:1] CC(C)Cn1ccnc(NCC(C)(C)C[*:1])c1=O
CC(C)Cn1ccnc(NCC(C)(C)CC2CCOCC2)c1=O CC(C)[*:1] CC(C)(CNc1nccn(C[*:1])c1=O)CC1CCOCC1
CC(C)Cn1ccnc(NCC(C)(C)CC2CCOCC2)c1=O C1CC(CCO1)C[*:1] CC(C)Cn1ccnc(NCC(C)(C)[*:1])c1=O
Cc1nc([C@H]2CSCCS2)nc(C)c1[C@@H](C)C[NH3+] C1CS[C@H](CS1)[*:1] Cc1nc(nc(C)c1[C@@H](C)C[NH3+])[*:1]
O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1ccc(cc1)[*:1]
Cn1cccc1C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O c1ccc(cc1)[*:1] Cn1cccc1C(=O)CN1C(=O)N[C@@H](C[*:1])C1=O
Cn1cccc1C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] Cn1cccc1C(=O)CN1C(=O)N[C@@H](C1=O)[*:1]
Cn1cccc1C(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O Cn1cccc1[*:1] O=C1N[C@@H](Cc2ccccc2)C(=O)N1CC(=O)[*:1]
CN(Cc1nc2ccccc2s1)C(=O)c1cc(COc2ccccc2)[nH]n1 c1ccc(cc1)[*:1] CN(Cc1nc2ccccc2s1)C(=O)c1cc(CO[*:1])[nH]n1
CN(Cc1nc2ccccc2s1)C(=O)c1cc(COc2ccccc2)[nH]n1 c1ccc2sc(nc2c1)[*:1] CN(C[*:1])C(=O)c1cc(COc2ccccc2)[nH]n1
CN(Cc1nc2ccccc2s1)C(=O)c1cc(COc2ccccc2)[nH]n1 c1ccc(cc1)O[*:1] CN(Cc1nc2ccccc2s1)C(=O)c1cc(C[*:1])[nH]n1
CN(Cc1nc2ccccc2s1)C(=O)c1cc(COc2ccccc2)[nH]n1 c1ccc(cc1)OC[*:1] CN(Cc1nc2ccccc2s1)C(=O)c1cc([nH]n1)[*:1]
CS(=O)(=O)N1CCC([NH2+]CC2(c3ccccc3Cl)CCC2)CC1 Clc1ccccc1[*:1] CS(=O)(=O)N1CCC(CC1)[NH2+]CC1(CCC1)[*:1]
Cc1noc(NC(=O)CCc2c(F)cccc2F)n1 Cc1noc(n1)[*:1] O=C(CCc1c(F)cccc1F)N[*:1]
CCC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)c(Cl)c(C)c2)CC1 CCC(=O)N1CCN(CC1)[*:1] Cc1cc(cc(C)c1Cl)OCC(=O)Nc1ccccc1[*:1]
CCC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)c(Cl)c(C)c2)CC1 Cc1cc(cc(C)c1Cl)O[*:1] CCC(=O)N1CCN(CC1)c1ccccc1NC(=O)C[*:1]
CCC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)c(Cl)c(C)c2)CC1 Cc1cc(cc(C)c1Cl)[*:1] CCC(=O)N1CCN(CC1)c1ccccc1NC(=O)CO[*:1]
Cc1cc(C(=O)[O-])ccc1NC(=O)CCl O=C([O-])[*:1] Cc1cc(ccc1NC(=O)CCl)[*:1]
Cc1cc(C(=O)[O-])ccc1NC(=O)CCl O=C(CCl)N[*:1] Cc1cc(ccc1[*:1])C(=O)[O-]
C[C@H]([NH2+]C1CC1)[C@H](C)Cc1ccc(Cl)cc1Cl C1CC1[*:1] C[C@H]([NH2+][*:1])[C@H](C)Cc1ccc(Cl)cc1Cl
COC(=O)[C@H](Nc1cc(C#N)cc([N+](=O)[O-])c1C)C(C)(C)C CC(C)(C)[*:1] COC(=O)[C@H](Nc1cc(C#N)cc(c1C)[N+](=O)[O-])[*:1]
COC(=O)[C@H](Nc1cc(C#N)cc([N+](=O)[O-])c1C)C(C)(C)C O=[N+]([O-])[*:1] COC(=O)[C@H](Nc1cc(C#N)cc(c1C)[*:1])C(C)(C)C
COC(=O)[C@H](Nc1cc(C#N)cc([N+](=O)[O-])c1C)C(C)(C)C COC(=O)[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N[C@H](C(C)(C)C)[*:1]
C[C@H](Oc1ccc(S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 CS(=O)(=O)[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)N[C@H](C)c1cc2ccccc2o1
C[C@H](Oc1ccc(S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] C[C@H](Oc1ccc(cc1)S(C)(=O)=O)C(=O)N[C@H](C)[*:1]
CCOc1ccc2c(C(=O)NCC3CC3)cc(=O)oc2c1 C1CC1[*:1] CCOc1ccc2c(cc(=O)oc2c1)C(=O)NC[*:1]
CCOc1ccc2c(C(=O)NCC3CC3)cc(=O)oc2c1 CCO[*:1] O=C(NCC1CC1)c1cc(=O)oc2cc(ccc12)[*:1]
CCOc1ccc2c(C(=O)NCC3CC3)cc(=O)oc2c1 O=C(NCC1CC1)[*:1] CCOc1ccc2c(cc(=O)oc2c1)[*:1]
CCOc1ccc2c(C(=O)NCC3CC3)cc(=O)oc2c1 C1CC1C[*:1] CCOc1ccc2c(cc(=O)oc2c1)C(=O)N[*:1]
C#CCN(C(=O)NCCc1ccccn1)[C@@H]1CCc2ccccc21 C#CC[*:1] O=C(NCCc1ccccn1)N([C@@H]1CCc2ccccc21)[*:1]
C#CCN(C(=O)NCCc1ccccn1)[C@@H]1CCc2ccccc21 c1ccc(nc1)[*:1] C#CCN(C(=O)NCC[*:1])[C@@H]1CCc2ccccc21
C#CCN(C(=O)NCCc1ccccn1)[C@@H]1CCc2ccccc21 c1ccc(CC[*:1])nc1 C#CCN(C(=O)N[*:1])[C@@H]1CCc2ccccc21
C#CCN(C(=O)NCCc1ccccn1)[C@@H]1CCc2ccccc21 c1ccc(C[*:1])nc1 C#CCN(C(=O)NC[*:1])[C@@H]1CCc2ccccc21
O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@H](O)C2)c(Cl)c1 O=[N+]([O-])[*:1] O[C@H]1CCC[C@@H](CNc2ccc(cc2Cl)[*:1])C1
COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cccc(F)c3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(c1cccc(F)c1)N1CCC(CC1)NS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cccc(F)c3)CC2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)[*:1]
COC(=O)c1cc(S(=O)(=O)Oc2ccc3ccccc3c2)ccc1Br COC(=O)[*:1] O=S(=O)(Oc1ccc2ccccc2c1)c1ccc(Br)c(c1)[*:1]
C[C@@H](NC(=O)c1cc(Cl)ccc1O)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)c1cc(Cl)ccc1O)[*:1]
C[C@H](c1ccccc1-n1cccn1)n1ccnc1-c1ccco1 c1cnn(c1)[*:1] C[C@H](c1ccccc1[*:1])n1ccnc1-c1ccco1
C[C@H](c1ccccc1-n1cccn1)n1ccnc1-c1ccco1 c1coc(c1)[*:1] C[C@H](c1ccccc1-n1cccn1)n1ccnc1[*:1]
CCc1ncc(C[NH+](C)Cc2cc(C(N)=O)cs2)s1 NC(=O)[*:1] CCc1ncc(C[NH+](C)Cc2cc(cs2)[*:1])s1
CC[C@@H]1CCCCN1C(=O)CNc1ccccc1CCC(F)(F)F FC(F)(F)[*:1] CC[C@@H]1CCCCN1C(=O)CNc1ccccc1CC[*:1]
CC[C@@H]1CCCCN1C(=O)CNc1ccccc1CCC(F)(F)F FC(F)(F)C[*:1] CC[C@@H]1CCCCN1C(=O)CNc1ccccc1C[*:1]
CC[C@@H]1CCCCN1C(=O)CNc1ccccc1CCC(F)(F)F FC(F)(F)CC[*:1] CC[C@@H]1CCCCN1C(=O)CNc1ccccc1[*:1]
CC[C@@]1(C)NC(=O)N(/N=C/c2ccccc2C(=O)[O-])C1=O O=C([O-])[*:1] CC[C@@]1(C)NC(=O)N(/N=C/c2ccccc2[*:1])C1=O
CCOc1ccc(C(C)=O)cc1NC(=O)NC1(C(N)=O)CCCC1 NC(=O)[*:1] CCOc1ccc(cc1NC(=O)NC1(CCCC1)[*:1])C(C)=O
CCOc1ccc(C(C)=O)cc1NC(=O)NC1(C(N)=O)CCCC1 CCO[*:1] CC(=O)c1ccc(c(c1)NC(=O)NC1(CCCC1)C(N)=O)[*:1]
CCOc1ccc(C(C)=O)cc1NC(=O)NC1(C(N)=O)CCCC1 CC(=O)[*:1] CCOc1ccc(cc1NC(=O)NC1(CCCC1)C(N)=O)[*:1]
CCOc1ccc(C(C)=O)cc1NC(=O)NC1(C(N)=O)CCCC1 NC(=O)C1(CCCC1)[*:1] CCOc1ccc(cc1NC(=O)N[*:1])C(C)=O
O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc2cc(Br)ccc2o1 C1CO[C@H](C1)[*:1] O=C(Nc1nnc(s1)[*:1])c1cc2cc(Br)ccc2o1
CCC1(CNC(=O)c2cc(C)nc3onc(C)c23)CCC1 CCC1(CCC1)[*:1] Cc1cc(C(=O)NC[*:1])c2c(C)noc2n1
CCC1(CNC(=O)c2cc(C)nc3onc(C)c23)CCC1 CCC1(CCC1)C[*:1] Cc1cc(C(=O)N[*:1])c2c(C)noc2n1
CC(C)(C)c1noc(CSCCCN2C(=O)CNC2=O)n1 CC(C)(C)[*:1] O=C1CNC(=O)N1CCCSCc1nc(no1)[*:1]
CC(C)(C)c1noc(CSCCCN2C(=O)CNC2=O)n1 O=C1CNC(=O)N1[*:1] CC(C)(C)c1noc(CSCCC[*:1])n1
COc1ccccc1C(=O)Nc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2C)cc1 O=C(C[*:1])N1CCOCC1 COc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(S[*:1])n1C
COc1ccccc1C(=O)Nc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2C)cc1 O=C(N1CCOCC1)[*:1] COc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(SC[*:1])n1C
COc1ccccc1C(=O)Nc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2C)cc1 COc1ccccc1[*:1] Cn1c(nnc1-c1ccc(cc1)NC(=O)[*:1])SCC(=O)N1CCOCC1
COc1ccccc1C(=O)Nc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2C)cc1 COc1ccccc1C(=O)N[*:1] Cn1c(nnc1-c1ccc(cc1)[*:1])SCC(=O)N1CCOCC1
COc1ccccc1C(=O)Nc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2C)cc1 O=C(CS[*:1])N1CCOCC1 COc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(n1C)[*:1]
CCn1c([C@H]2CCCN(C(=O)Cc3ccc(C)c(O)c3)C2)n[nH]c1=S CCn1c(n[nH]c1=S)[*:1] Cc1ccc(cc1O)CC(=O)N1CCC[C@@H](C1)[*:1]
CCn1c([C@H]2CCCN(C(=O)Cc3ccc(C)c(O)c3)C2)n[nH]c1=S Cc1ccc(cc1O)[*:1] CCn1c(n[nH]c1=S)[C@H]1CCCN(C1)C(=O)C[*:1]
CC(C)(C(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1)n1cncn1 c1ncn(n1)[*:1] CC(C)(C(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1)[*:1]
CC(C)(C(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1)n1cncn1 CC(C)(n1cncn1)[*:1] O=C(N1CCCC[C@@H]1C[NH+]1CCCCCC1)[*:1]
CCOc1ccc2nc(NC(=O)c3cccc(NC(C)=O)c3)sc2c1 CCO[*:1] CC(=O)Nc1cccc(c1)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(NC(=O)c3cccc(NC(C)=O)c3)sc2c1 CC(=O)N[*:1] CCOc1ccc2nc(NC(=O)c3cccc(c3)[*:1])sc2c1
COc1ccc(CN2C(=O)/C(=C/c3ccsc3)c3ccccc3C2=O)cc1 COc1ccc(cc1)[*:1] O=C1/C(=C/c2ccsc2)c2ccccc2C(=O)N1C[*:1]
COc1ccc(CN2C(=O)/C(=C/c3ccsc3)c3ccccc3C2=O)cc1 COc1ccc(cc1)C[*:1] O=C1/C(=C/c2ccsc2)c2ccccc2C(=O)N1[*:1]
COc1ccc(CN2C(=O)/C(=C/c3ccsc3)c3ccccc3C2=O)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)CN1C(=O)C(=C[*:1])c2ccccc2C1=O
C[C@H](NC(=O)c1ccc[nH]1)C(=O)Nc1cccc(N2CCCC2)c1 c1c[nH]c(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)Nc1cccc(c1)N1CCCC1
C[C@H](NC(=O)c1ccc[nH]1)C(=O)Nc1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H](NC(=O)c1ccc[nH]1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](NC(=O)c1ccc[nH]1)C(=O)Nc1cccc(N2CCCC2)c1 O=C(N[*:1])c1ccc[nH]1 C[C@H](C(=O)Nc1cccc(c1)N1CCCC1)[*:1]
Cc1nnc(-c2ccc(C(=O)N3CC[C@H](c4ccccc4)[C@@H](C)C3)cc2)o1 c1ccc(cc1)[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)N1CC[C@H]([C@@H](C)C1)[*:1]
Cc1nnc(-c2ccc(C(=O)N3CC[C@H](c4ccccc4)[C@@H](C)C3)cc2)o1 Cc1nnc(o1)[*:1] C[C@H]1CN(CC[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)N(C)CC(N)=O)cc1Br NC(=O)C[*:1] Cc1ccc(cc1Br)C(=O)N(C)[*:1]
Cc1ccc(C(=O)N(C)CC(N)=O)cc1Br NC(=O)[*:1] Cc1ccc(cc1Br)C(=O)N(C)C[*:1]
Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cn(C)nc1-c1cccs1 C1CN(CCO1)C[*:1] Cc1ccc(cc1NC(=O)c1cn(C)nc1-c1cccs1)[*:1]
Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cn(C)nc1-c1cccs1 C1CN(CCO1)[*:1] Cc1ccc(cc1NC(=O)c1cn(C)nc1-c1cccs1)C[*:1]
Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cn(C)nc1-c1cccs1 c1csc(c1)[*:1] Cc1ccc(cc1NC(=O)c1cn(C)nc1[*:1])CN1CCOCC1
CC[C@@H](CNC(=O)N(C)CC1CC1)c1ccccc1 C1CC1[*:1] CC[C@@H](CNC(=O)N(C)C[*:1])c1ccccc1
CC[C@@H](CNC(=O)N(C)CC1CC1)c1ccccc1 C1CC1C[*:1] CC[C@@H](CNC(=O)N(C)[*:1])c1ccccc1
CC[C@@H](CNC(=O)N(C)CC1CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)N(C)CC1CC1)[*:1]
O=C(NCCCn1ccnc1)c1ccc(C#CC2(O)CCCCC2)cc1 c1cn(cn1)CCC[*:1] O=C(N[*:1])c1ccc(C#CC2(O)CCCCC2)cc1
O=C(NCCCn1ccnc1)c1ccc(C#CC2(O)CCCCC2)cc1 c1cn(cn1)C[*:1] O=C(NCC[*:1])c1ccc(C#CC2(O)CCCCC2)cc1
O=C(NCCCn1ccnc1)c1ccc(C#CC2(O)CCCCC2)cc1 c1cn(cn1)[*:1] O=C(NCCC[*:1])c1ccc(C#CC2(O)CCCCC2)cc1
O=C(NCCCn1ccnc1)c1ccc(C#CC2(O)CCCCC2)cc1 c1cn(cn1)CC[*:1] O=C(NC[*:1])c1ccc(C#CC2(O)CCCCC2)cc1
O=C(NCCCn1ccnc1)c1ccc(C#CC2(O)CCCCC2)cc1 OC1(CCCCC1)[*:1] O=C(NCCCn1ccnc1)c1ccc(C#C[*:1])cc1
O=C(c1cc(F)c(F)c(F)c1F)N1CCO[C@@H](COCc2c(Cl)cccc2Cl)C1 Clc1cccc(Cl)c1C[*:1] O=C(c1cc(F)c(F)c(F)c1F)N1CCO[C@@H](CO[*:1])C1
O=C(c1cc(F)c(F)c(F)c1F)N1CCO[C@@H](COCc2c(Cl)cccc2Cl)C1 Clc1cccc(Cl)c1[*:1] O=C(c1cc(F)c(F)c(F)c1F)N1CCO[C@@H](COC[*:1])C1
Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(Cc2cccc(O)c2)C1 Oc1cccc(c1)[*:1] Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(C1)C[*:1]
Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(Cc2cccc(O)c2)C1 Oc1cccc(c1)C[*:1] Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(C1)[*:1]
Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)c1nc(cs1)[*:1]
Cc1cc(C)c2c(OCC(=O)NC[C@H](C)C[C@@H](C)O)nn(C)c2n1 C[C@@H](O)[*:1] Cc1cc(C)c2c(nn(C)c2n1)OCC(=O)NC[C@H](C)C[*:1]
Cc1cc(C)c2c(OCC(=O)NC[C@H](C)C[C@@H](C)O)nn(C)c2n1 C[C@@H](O)C[*:1] Cc1cc(C)c2c(nn(C)c2n1)OCC(=O)NC[C@H](C)[*:1]
C[C@@H](NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1cnc2ccc(F)cc2c1=O)[*:1]
Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1 C1CN(CCO1)[*:1] Cc1cc(C)cc(c1)N1CCn2c1nc1c2c(=O)n(CC[*:1])c(=O)n1C
Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1 Cc1cc(C)cc(c1)[*:1] Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1N(CCn12)[*:1]
Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1 C1CN(CCO1)C[*:1] Cc1cc(C)cc(c1)N1CCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1 C1CN(CCO1)CC[*:1] Cc1cc(C)cc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])N(C[*:1])C1CC1
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])N(C1CC1)[*:1]
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])N(Cc1ccccc1)[*:1]
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N(Cc1ccccc1)C1CC1 O=[N+]([O-])[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[*:1])N(Cc1ccccc1)C1CC1
COC1(C[NH2+][C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)CCOCC1 COC1(CCOCC1)[*:1] Cc1ccc(cc1)-c1nc2CCC[C@H]([NH2+]C[*:1])c2s1
COC1(C[NH2+][C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)CCOCC1 Cc1ccc(cc1)[*:1] COC1(CCOCC1)C[NH2+][C@H]1CCCc2nc(sc21)[*:1]
C#CCN(CC(=O)[O-])C(=O)/C=C/c1ccnn1C C#CC[*:1] Cn1nccc1/C=C/C(=O)N(CC(=O)[O-])[*:1]
C#CCN(CC(=O)[O-])C(=O)/C=C/c1ccnn1C O=C([O-])C[*:1] C#CCN(C(=O)/C=C/c1ccnn1C)[*:1]
C#CCN(CC(=O)[O-])C(=O)/C=C/c1ccnn1C O=C([O-])[*:1] C#CCN(C[*:1])C(=O)/C=C/c1ccnn1C
C#CCN(CC(=O)[O-])C(=O)/C=C/c1ccnn1C Cn1nccc1[*:1] C#CCN(CC(=O)[O-])C(=O)C=C[*:1]
C[C@@H]1CCC[C@H]1[NH2+]CCc1nncn1C1CC1 C1CC1[*:1] C[C@@H]1CCC[C@H]1[NH2+]CCc1nncn1[*:1]
CC(C)(C)OC(=O)NC1CCC([NH2+]CC(N)=O)CC1 NC(=O)[*:1] CC(C)(C)OC(=O)NC1CCC(CC1)[NH2+]C[*:1]
CC(C)(C)OC(=O)NC1CCC([NH2+]CC(N)=O)CC1 NC(=O)C[*:1] CC(C)(C)OC(=O)NC1CCC(CC1)[NH2+][*:1]
CC(C)(C)OC(=O)NC1CCC([NH2+]CC(N)=O)CC1 CC(C)(C)[*:1] NC(=O)C[NH2+]C1CCC(CC1)NC(=O)O[*:1]
COCc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)cc1 COC[*:1] O=C(N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)c1ccc(cc1)[*:1]
Cc1ccc2nc(-c3cccs3)c(NC3CCCC3)n2c1 C1CCC(C1)N[*:1] Cc1ccc2nc(-c3cccs3)c(n2c1)[*:1]
Cc1ccc2nc(-c3cccs3)c(NC3CCCC3)n2c1 c1csc(c1)[*:1] Cc1ccc2nc(c(NC3CCCC3)n2c1)[*:1]
Cc1ccc2nc(-c3cccs3)c(NC3CCCC3)n2c1 C1CCC(C1)[*:1] Cc1ccc2nc(-c3cccs3)c(N[*:1])n2c1
C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C3(c4ccccc4)CCOCC3)ccc21 c1ccc(cc1)[*:1] C=CCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)C1(CCOCC1)[*:1]
C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C3(c4ccccc4)CCOCC3)ccc21 C=CC[*:1] CC1(C)COc2cc(ccc2N(C1=O)[*:1])NC(=O)C1(CCOCC1)c1ccccc1
CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccccc1OC(F)F FC(F)[*:1] CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccccc1O[*:1]
CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccccc1OC(F)F FC(F)O[*:1] CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccccc1[*:1]
CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccccc1OC(F)F CC(C)n1nnnc1[*:1] C[C@H](S[*:1])C(=O)Nc1ccccc1OC(F)F
CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccccc1OC(F)F CC(C)[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)Nc1ccccc1OC(F)F
CCOC(=O)COC(=O)c1cccc(Cl)c1Cl CCOC(=O)[*:1] O=C(OC[*:1])c1cccc(Cl)c1Cl
CCN(CC)C(=O)c1ccc(NC(=O)c2nc[nH]n2)cc1 CCN(CC)C(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1nc[nH]n1
COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NCc3ccc(I)cc3)n2)cc1 Ic1ccc(cc1)[*:1] COc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)NC[*:1]
COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NCc3ccc(I)cc3)n2)cc1 Ic1ccc(cc1)C[*:1] COc1ccc(cc1)-c1ccc(=O)n(n1)[C@H](C)C(=O)N[*:1]
COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NCc3ccc(I)cc3)n2)cc1 COc1ccc(cc1)[*:1] C[C@H](C(=O)NCc1ccc(I)cc1)n1nc(ccc1=O)[*:1]
CC(C)CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 CC(C)[*:1] O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)OCC[*:1]
CC(C)CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 CC(C)CCOC(=O)[*:1] O=C1NCCN(C(=O)c2ccc(F)cc2)[C@H]1C[*:1]
CC(C)CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 CC(C)C[*:1] O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)OC[*:1]
CC(C)CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[*:1]
CC(C)CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1 CC(C)CC[*:1] O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1)O[*:1]
C#CC[C@H](C)OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 C#CC[*:1] C[C@H](OC(=O)c1cccc(c1)CS(=O)(=O)c1ccccc1)[*:1]
C#CC[C@H](C)OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C#CC[C@H](C)OC(=O)c1cccc(c1)CS(=O)(=O)[*:1]
CC(C)C[C@@H](CNC(=O)[C@@H]1CCOC1)C(=O)[O-] C1C[C@H](CO1)[*:1] CC(C)C[C@@H](CNC(=O)[*:1])C(=O)[O-]
CC(C)C[C@@H](CNC(=O)[C@@H]1CCOC1)C(=O)[O-] CC(C)C[*:1] O=C([O-])[C@H](CNC(=O)[C@@H]1CCOC1)[*:1]
CC(C)C[C@@H](CNC(=O)[C@@H]1CCOC1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@H](CNC(=O)[C@@H]1CCOC1)C[*:1]
CC(C)C[C@@H](CNC(=O)[C@@H]1CCOC1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@@H](CNC(=O)[C@@H]1CCOC1)[*:1]
CCCSC[C@H]([NH3+])c1cccc(OC(C)C)c1 CCC[*:1] CC(C)Oc1cccc(c1)[C@@H]([NH3+])CS[*:1]
CCCSC[C@H]([NH3+])c1cccc(OC(C)C)c1 CC(C)[*:1] CCCSC[C@H]([NH3+])c1cccc(c1)O[*:1]
CCCSC[C@H]([NH3+])c1cccc(OC(C)C)c1 CCCS[*:1] CC(C)Oc1cccc(c1)[C@@H]([NH3+])C[*:1]
CCCSC[C@H]([NH3+])c1cccc(OC(C)C)c1 CC(C)O[*:1] CCCSC[C@H]([NH3+])c1cccc(c1)[*:1]
CCCSC[C@H]([NH3+])c1cccc(OC(C)C)c1 CCCSC[*:1] CC(C)Oc1cccc(c1)[C@@H]([NH3+])[*:1]
Cc1csc(C[S@](=O)Cc2ncc(-c3ccc(F)cc3)o2)n1 Cc1csc(C[*:1])n1 O=[S@](Cc1ncc(o1)-c1ccc(F)cc1)[*:1]
Cc1csc(C[S@](=O)Cc2ncc(-c3ccc(F)cc3)o2)n1 Cc1csc(n1)[*:1] O=[S@](Cc1ncc(o1)-c1ccc(F)cc1)C[*:1]
Cc1csc(C[S@](=O)Cc2ncc(-c3ccc(F)cc3)o2)n1 Fc1ccc(cc1)[*:1] Cc1csc(C[S@](=O)Cc2ncc(o2)[*:1])n1
C=CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C=CCNC(=O)[C@@H]1CN(C[C@H]1S(=O)(=O)c1ccccc1)C[*:1]
C=CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1 C=CCNC(=O)[*:1] O=S(=O)(c1ccccc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1[*:1]
C=CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1 O=S(=O)(c1ccccc1)[*:1] C=CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1[*:1]
C=CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1 c1ccc(cc1)C[*:1] C=CCNC(=O)[C@@H]1CN(C[C@H]1S(=O)(=O)c1ccccc1)[*:1]
C=CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1 C=CC[*:1] O=C(N[*:1])[C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1
C=CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C=CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)[*:1]
Cn1nc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)cc1NC(=O)c1ccccc1Cl c1ccc(cc1)[*:1] Cn1nc(cc1NC(=O)c1ccccc1Cl)C(=O)NCc1nc2ccccc2n1C[*:1]
Cn1nc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)cc1NC(=O)c1ccccc1Cl O=C(N[*:1])c1ccccc1Cl Cn1nc(cc1[*:1])C(=O)NCc1nc2ccccc2n1Cc1ccccc1
Cn1nc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)cc1NC(=O)c1ccccc1Cl Clc1ccccc1[*:1] Cn1nc(cc1NC(=O)[*:1])C(=O)NCc1nc2ccccc2n1Cc1ccccc1
Cn1nc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)cc1NC(=O)c1ccccc1Cl c1ccc(cc1)C[*:1] Cn1nc(cc1NC(=O)c1ccccc1Cl)C(=O)NCc1nc2ccccc2n1[*:1]
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(C=O)cc1 c1ccc(cc1)[*:1] C[C@@H]1CN(CCN1C(=O)c1ccc(C=O)cc1)C[*:1]
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(C=O)cc1 O=Cc1ccc(cc1)[*:1] C[C@@H]1CN(CCN1C(=O)[*:1])Cc1ccccc1
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(C=O)cc1 c1ccc(cc1)C[*:1] C[C@@H]1CN(CCN1C(=O)c1ccc(C=O)cc1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)N[C@@H](C)CCc2cccn2C)C1 Cn1cccc1[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)N[C@@H](C)CC[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)N[C@@H](C)CCc2cccn2C)C1 Cn1cccc1CC[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)N[C@@H](C)CCc2cccn2C)C1 COC(=O)C(C)(C)[*:1] C[C@@H](CCc1cccn1C)NC(=O)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)N[C@@H](C)CCc2cccn2C)C1 COC(=O)[*:1] C[C@@H](CCc1cccn1C)NC(=O)N1CCC[C@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)N[C@@H](C)CCc2cccn2C)C1 Cn1cccc1C[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)N[C@@H](C)C[*:1]
N#C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1ccc(Cl)c(Cl)c1 NC(=O)N[*:1] N#C[C@@H](NC(=O)C[C@H](c1cccs1)[*:1])c1ccc(Cl)c(Cl)c1
N#C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] N#C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)[*:1]
N#C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1ccc(Cl)c(Cl)c1 c1csc(c1)[*:1] N#C[C@@H](NC(=O)C[C@H](NC(N)=O)[*:1])c1ccc(Cl)c(Cl)c1
COC(=O)c1ccc(C(=O)N2CC=C(c3ccccc3Cl)CC2)s1 Clc1ccccc1[*:1] COC(=O)c1ccc(s1)C(=O)N1CC=C(CC1)[*:1]
COC(=O)c1ccc(C(=O)N2CC=C(c3ccccc3Cl)CC2)s1 COC(=O)[*:1] O=C(c1ccc(s1)[*:1])N1CC=C(CC1)c1ccccc1Cl
C#CCN1CC(=O)N(COC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1=O C#CC[*:1] CC(C)=C[C@H]1[C@H](C(=O)OCN2C(=O)CN(C2=O)[*:1])C1(C)C
C#CCN1CC(=O)N(COC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1=O CC(C)=C[*:1] C#CCN1CC(=O)N(COC(=O)[C@H]2[C@H](C2(C)C)[*:1])C1=O
COC(=O)c1cc(OCc2ccccc2F)cc(C)c1N COC(=O)[*:1] Cc1cc(cc(c1N)[*:1])OCc1ccccc1F
COC(=O)c1cc(OCc2ccccc2F)cc(C)c1N Fc1ccccc1[*:1] COC(=O)c1cc(cc(C)c1N)OC[*:1]
O=C(NCc1ccc(Cl)cc1Cl)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(NCc1ccc(Cl)cc1Cl)N[C@@H](CO)[*:1]
CCOC(=O)c1c(NC(=O)c2cc(C)no2)sc2c1CC[NH+](C(C)C)C2 CCOC(=O)[*:1] Cc1cc(on1)C(=O)Nc1sc2C[NH+](CCc2c1[*:1])C(C)C
CCOC(=O)c1c(NC(=O)c2cc(C)no2)sc2c1CC[NH+](C(C)C)C2 CC(C)[*:1] CCOC(=O)c1c(NC(=O)c2cc(C)no2)sc2C[NH+](CCc21)[*:1]
CCOC(=O)c1c(NC(=O)c2cc(C)no2)sc2c1CC[NH+](C(C)C)C2 Cc1cc(on1)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2C[NH+](CCc21)C(C)C
Cc1cc(C[C@@H](C)N[C@H]2CCc3cc(Cl)ccc32)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@H](C[*:1])N[C@H]1CCc2cc(Cl)ccc21
CC[NH2+][C@@]1(C(N)=O)CCC[C@H](N(C)Cc2[nH+]ccn2C)C1 NC(=O)[*:1] CC[NH2+][C@]1(CCC[C@@H](C1)N(C)Cc1[nH+]ccn1C)[*:1]
CS(=O)(=O)[C@H]1CC[C@H](OC(=O)c2ccccc2Cn2cncn2)C1 CS(=O)(=O)[*:1] O=C(O[C@H]1CC[C@@H](C1)[*:1])c1ccccc1Cn1cncn1
CS(=O)(=O)[C@H]1CC[C@H](OC(=O)c2ccccc2Cn2cncn2)C1 c1ncn(n1)[*:1] CS(=O)(=O)[C@H]1CC[C@@H](C1)OC(=O)c1ccccc1C[*:1]
CS(=O)(=O)[C@H]1CC[C@H](OC(=O)c2ccccc2Cn2cncn2)C1 c1ncn(C[*:1])n1 CS(=O)(=O)[C@H]1CC[C@@H](C1)OC(=O)c1ccccc1[*:1]
CC[NH+](CCS(C)(=O)=O)Cc1ccc(Cl)o1 CS(=O)(=O)C[*:1] CC[NH+](Cc1ccc(Cl)o1)C[*:1]
CC[NH+](CCS(C)(=O)=O)Cc1ccc(Cl)o1 CS(=O)(=O)[*:1] CC[NH+](CC[*:1])Cc1ccc(Cl)o1
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1C C(=C[*:1])c1ccccc1 CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC2)C[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1C c1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC=C[*:1])CC2)c1C
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1C C(=C/c1ccccc1)\C[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CC2)[*:1])c1C
CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccc(C(=O)NC)cc3)oc12 CCO[*:1] CNC(=O)c1ccc(cc1)NC(=O)N[C@@H](C)c1cc2cccc(c2o1)[*:1]
CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccc(C(=O)NC)cc3)oc12 CNC(=O)[*:1] CCOc1cccc2cc(oc12)[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
Cc1nc(-c2ccc(C#CC(C)(C)O)o2)n(-c2cccc3cccnc23)n1 CC(C)(O)C#C[*:1] Cc1nc(-c2ccc(o2)[*:1])n(n1)-c1cccc2cccnc12
Cc1nc(-c2ccc(C#CC(C)(C)O)o2)n(-c2cccc3cccnc23)n1 CC(C)(O)[*:1] Cc1nc(-c2ccc(C#C[*:1])o2)n(n1)-c1cccc2cccnc12
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 Fc1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)Nc1cccc(c1)OC[C@H]1CCCO1)[*:1]
NC(=O)c1c(F)cc(Br)cc1N1C[C@@H]2CC=CC[C@H]2C1 NC(=O)[*:1] Fc1cc(Br)cc(c1[*:1])N1C[C@@H]2CC=CC[C@H]2C1
CCOC(=O)C1=C(C)N(CC(=O)NC2CCCC2)c2ncnn2[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N(CC(=O)NC2CCCC2)c2ncnn2[C@@H]1[*:1]
CCOC(=O)C1=C(C)N(CC(=O)NC2CCCC2)c2ncnn2[C@H]1c1ccc(C)cc1 CCOC(=O)[*:1] CC1=C([C@H](c2ccc(C)cc2)n2ncnc2N1CC(=O)NC1CCCC1)[*:1]
CCOC(=O)C1=C(C)N(CC(=O)NC2CCCC2)c2ncnn2[C@H]1c1ccc(C)cc1 O=C(NC1CCCC1)[*:1] CCOC(=O)C1=C(C)N(C[*:1])c2ncnn2[C@H]1c1ccc(C)cc1
CCOC(=O)C1=C(C)N(CC(=O)NC2CCCC2)c2ncnn2[C@H]1c1ccc(C)cc1 O=C(C[*:1])NC1CCCC1 CCOC(=O)C1=C(C)N(c2ncnn2[C@H]1c1ccc(C)cc1)[*:1]
CCOC(=O)C1=C(C)N(CC(=O)NC2CCCC2)c2ncnn2[C@H]1c1ccc(C)cc1 C1CCC(C1)[*:1] CCOC(=O)C1=C(C)N(CC(=O)N[*:1])c2ncnn2[C@H]1c1ccc(C)cc1
COC(=O)c1ccc(C)c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)CN1CC[NH+](CC1)Cc1ccccc1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)CN1CC[NH+](CC1)[*:1]
COC(=O)c1ccc(C)c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)CN1CC[NH+](CC1)C[*:1]
O=C(NCc1ccccc1)c1cc2cccn2cn1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1cc2cccn2cn1
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 N#Cc1ccc(cc1)[*:1] CN(C[*:1])C(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
CC(C)N[C@H](C#N)CSC[C@H](O)CO CC(C)[*:1] N#C[C@H](CSC[C@H](O)CO)N[*:1]
CC(C)N[C@H](C#N)CSC[C@H](O)CO OC[C@@H](O)[*:1] CC(C)N[C@H](C#N)CSC[*:1]
CC(C)N[C@H](C#N)CSC[C@H](O)CO CC(C)N[*:1] N#C[C@H](CSC[C@H](O)CO)[*:1]
Cc1ccccc1-n1nnnc1S[C@@H](C(=O)N1CCCC1)c1ccccc1 Cc1ccccc1[*:1] O=C([C@H](Sc1nnnn1[*:1])c1ccccc1)N1CCCC1
Cc1ccccc1-n1nnnc1S[C@@H](C(=O)N1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1-n1nnnc1S[C@@H](C(=O)N1CCCC1)[*:1]
Cc1ccccc1-n1nnnc1S[C@@H](C(=O)N1CCCC1)c1ccccc1 O=C(N1CCCC1)[*:1] Cc1ccccc1-n1nnnc1S[C@@H](c1ccccc1)[*:1]
C[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCCC1 O=C([O-])C[*:1] C[C@@H](NC(=O)N(CC(F)(F)F)[*:1])C1CCCC1
C[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] C[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)[*:1]
C[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCCC1 FC(F)(F)[*:1] C[C@@H](NC(=O)N(CC(=O)[O-])C[*:1])C1CCCC1
C[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCCC1 FC(F)(F)C[*:1] C[C@@H](NC(=O)N(CC(=O)[O-])[*:1])C1CCCC1
C[C@@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCCC1 O=C([O-])[*:1] C[C@@H](NC(=O)N(CC(F)(F)F)C[*:1])C1CCCC1
CC(C)Oc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)NNC(=O)C[*:1]
CC(C)Oc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1 CC(C)O[*:1] CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1 CC(C)(C)C[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)NNC(=O)[*:1]
O=C(COC(=O)c1ccccc1Br)Nc1ccc(F)cc1Cl Brc1ccccc1[*:1] O=C(COC(=O)[*:1])Nc1ccc(F)cc1Cl
COc1ccccc1[C@@H](NC(=O)N1C[C@H]2CC[C@@H]1C2)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)N1C[C@H]2CC[C@@H]1C2)[*:1]
COc1ccccc1[C@@H](NC(=O)N1C[C@H]2CC[C@@H]1C2)c1ccccn1 COc1ccccc1[*:1] O=C(N[C@@H](c1ccccn1)[*:1])N1C[C@H]2CC[C@@H]1C2
CCC[NH2+][C@H](CC)[C@H]1CCCOCC1 CCC[*:1] CC[C@@H]([NH2+][*:1])[C@H]1CCCOCC1
CC(C)c1ccc(Cc2cnc(N3C(=N)SCC3=O)s2)cc1 CC(C)[*:1] N=C1SCC(=O)N1c1ncc(Cc2ccc(cc2)[*:1])s1
CC(C)c1ccc(Cc2cnc(N3C(=N)SCC3=O)s2)cc1 N=C1SCC(=O)N1[*:1] CC(C)c1ccc(cc1)Cc1cnc(s1)[*:1]
CC(C)Oc1ccc(CCNC(=O)Nc2ncnn2C)cc1 CC(C)[*:1] Cn1ncnc1NC(=O)NCCc1ccc(cc1)O[*:1]
CC(C)Oc1ccc(CCNC(=O)Nc2ncnn2C)cc1 Cn1ncnc1[*:1] CC(C)Oc1ccc(cc1)CCNC(=O)N[*:1]
CC(C)Oc1ccc(CCNC(=O)Nc2ncnn2C)cc1 CC(C)O[*:1] Cn1ncnc1NC(=O)NCCc1ccc(cc1)[*:1]
O=C(Nc1ccnn1Cc1ccco1)c1cc(=O)c2ccccc2o1 c1coc(c1)C[*:1] O=C(Nc1ccnn1[*:1])c1cc(=O)c2ccccc2o1
O=C(Nc1ccnn1Cc1ccco1)c1cc(=O)c2ccccc2o1 c1coc(c1)[*:1] O=C(Nc1ccnn1C[*:1])c1cc(=O)c2ccccc2o1
COc1ccc(NC(=O)[C@H](c2ccccc2)C(C)C)c(OC)c1 CC(C)[*:1] COc1ccc(NC(=O)[C@H](c2ccccc2)[*:1])c(c1)OC
COc1ccc(NC(=O)[C@H](c2ccccc2)C(C)C)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)[C@H](C(C)C)[*:1])c(c1)OC
COC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2c1CCN(C(=O)OC)C2 c1ccc2sc(nc2c1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)C(=O)OC
COC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2c1CCN(C(=O)OC)C2 COC(=O)[*:1] COC(=O)N1CCc2c(C1)sc(NC(=O)c1nc3ccccc3s1)c2[*:1]
C[C@@H]1CC[C@H](COC(=O)CN(C)c2ccccc2[N+](=O)[O-])O1 O=[N+]([O-])[*:1] C[C@@H]1CC[C@H](COC(=O)CN(C)c2ccccc2[*:1])O1
CCc1ccccc1CNC(=O)c1cc(S(N)(=O)=O)c(C)o1 NS(=O)(=O)[*:1] CCc1ccccc1CNC(=O)c1cc(c(C)o1)[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)CCc2nc3ncccc3[nH]2)CC1 c1cnc2nc([nH]c2c1)[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)CC[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)CCc2nc3ncccc3[nH]2)CC1 CC(C)(C)[*:1] O=C(CCc1nc2ncccc2[nH]1)NC1CCC(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)CCc2nc3ncccc3[nH]2)CC1 CC(C)(C)OC(=O)[*:1] O=C(CCc1nc2ncccc2[nH]1)NC1CCC(CC1)[*:1]
COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CCN(Cc1cc(F)ccc1F)CC2 COC(=O)[*:1] CN1C[C@H](COc2cc(=O)n3CCN(CCc3c2[*:1])Cc2cc(F)ccc2F)CC1=O
COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CCN(Cc1cc(F)ccc1F)CC2 Fc1ccc(F)c(c1)[*:1] COC(=O)c1c(cc(=O)n2CCN(CCc12)C[*:1])OC[C@@H]1CC(=O)N(C)C1
COC(=O)c1c(OC[C@@H]2CC(=O)N(C)C2)cc(=O)n2c1CCN(Cc1cc(F)ccc1F)CC2 Fc1ccc(F)c(c1)C[*:1] COC(=O)c1c(cc(=O)n2CCN(CCc12)[*:1])OC[C@@H]1CC(=O)N(C)C1
Cc1cnccc1NC(=O)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] Cc1cnccc1NC(=O)NC[C@@H]1CCCN(C1)[*:1]
Cc1cnccc1NC(=O)NC[C@@H]1CCCN(c2ncccn2)C1 Cc1cnccc1[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)N[*:1]
c1ccc(-c2nnc(N(Cc3ccco3)C[C@H]3CCCO3)s2)cc1 c1ccc(cc1)[*:1] c1coc(c1)CN(C[C@H]1CCCO1)c1nnc(s1)[*:1]
c1ccc(-c2nnc(N(Cc3ccco3)C[C@H]3CCCO3)s2)cc1 c1coc(c1)C[*:1] c1ccc(cc1)-c1nnc(s1)N(C[C@H]1CCCO1)[*:1]
c1ccc(-c2nnc(N(Cc3ccco3)C[C@H]3CCCO3)s2)cc1 c1coc(c1)[*:1] c1ccc(cc1)-c1nnc(s1)N(C[C@H]1CCCO1)C[*:1]
COC[C@@H]1CN(Cc2[nH]cc(-c3ccc(Br)cc3)[nH+]2)CCO1 COC[*:1] Brc1ccc(cc1)-c1c[nH]c(CN2CCO[C@@H](C2)[*:1])[nH+]1
COC[C@@H]1CN(Cc2[nH]cc(-c3ccc(Br)cc3)[nH+]2)CCO1 Brc1ccc(cc1)[*:1] COC[C@@H]1CN(CCO1)Cc1[nH]cc([nH+]1)[*:1]
C#CCC[C@H](O)[C@](C)(CC)[NH+]1CCCC1 C#CCC[*:1] CC[C@@](C)([C@@H](O)[*:1])[NH+]1CCCC1
C#CCC[C@H](O)[C@](C)(CC)[NH+]1CCCC1 C#CC[*:1] CC[C@@](C)([C@@H](O)C[*:1])[NH+]1CCCC1
Cc1oc(-c2cccs2)nc1CSCc1nsc(N(C)C)n1 CN(C)[*:1] Cc1oc(nc1CSCc1nsc(n1)[*:1])-c1cccs1
Cc1oc(-c2cccs2)nc1CSCc1nsc(N(C)C)n1 c1csc(c1)[*:1] Cc1oc(nc1CSCc1nsc(n1)N(C)C)[*:1]
COc1ccccc1OCC1=NN[C@H](SCc2nc3ccccc3c(=O)[nH]2)N1C COc1ccccc1O[*:1] CN1C(C[*:1])=NN[C@@H]1SCc1nc2ccccc2c(=O)[nH]1
COc1ccccc1OCC1=NN[C@H](SCc2nc3ccccc3c(=O)[nH]2)N1C COc1ccccc1[*:1] CN1C(CO[*:1])=NN[C@@H]1SCc1nc2ccccc2c(=O)[nH]1
O=C([O-])/C=C/C(=O)Nc1ccccn1 O=C([O-])[*:1] O=C(C=C[*:1])Nc1ccccn1
C=C1c2ccccc2C(=O)N1CC(=O)NCCc1ccccc1Cl Clc1ccccc1[*:1] C=C1c2ccccc2C(=O)N1CC(=O)NCC[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)NCCc1ccccc1Cl Clc1ccccc1C[*:1] C=C1c2ccccc2C(=O)N1CC(=O)NC[*:1]
Cn1nc(C(=O)NCc2ccon2)c2ccccc2c1=O c1cc(no1)[*:1] Cn1nc(C(=O)NC[*:1])c2ccccc2c1=O
Cn1nc(C(=O)NCc2ccon2)c2ccccc2c1=O c1cc(C[*:1])no1 Cn1nc(C(=O)N[*:1])c2ccccc2c1=O
Cc1cc(SCC(=O)Nc2nccs2)nc(-c2cccc(F)c2)n1 c1csc(n1)[*:1] Cc1cc(nc(n1)-c1cccc(F)c1)SCC(=O)N[*:1]
Cc1cc(SCC(=O)Nc2nccs2)nc(-c2cccc(F)c2)n1 O=C(Nc1nccs1)[*:1] Cc1cc(nc(n1)-c1cccc(F)c1)SC[*:1]
Cc1cc(SCC(=O)Nc2nccs2)nc(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] Cc1cc(nc(n1)[*:1])SCC(=O)Nc1nccs1
CCCS(=O)(=O)[N-]c1cccc(C(=O)NCc2csc(=O)[nH]2)c1 CCC[*:1] O=C(NCc1csc(=O)[nH]1)c1cccc(c1)[N-]S(=O)(=O)[*:1]
CCCS(=O)(=O)[N-]c1cccc(C(=O)NCc2csc(=O)[nH]2)c1 O=c1[nH]c(cs1)C[*:1] CCCS(=O)(=O)[N-]c1cccc(c1)C(=O)N[*:1]
CCCS(=O)(=O)[N-]c1cccc(C(=O)NCc2csc(=O)[nH]2)c1 O=c1[nH]c(cs1)[*:1] CCCS(=O)(=O)[N-]c1cccc(c1)C(=O)NC[*:1]
COc1ccc(Cl)cc1CC(=O)N(c1ccc(C#N)cc1)C1CC1 C1CC1[*:1] COc1ccc(Cl)cc1CC(=O)N(c1ccc(C#N)cc1)[*:1]
COc1ccc(Cl)cc1CC(=O)N(c1ccc(C#N)cc1)C1CC1 N#Cc1ccc(cc1)[*:1] COc1ccc(Cl)cc1CC(=O)N(C1CC1)[*:1]
C[C@H](N[C@H](C)[C@H](C)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](N[C@H](C)[C@H](C)c1ccccc1)c1ccc(cc1)[*:1]
C[C@H](N[C@H](C)[C@H](C)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 c1ccc(cc1)[*:1] C[C@H](N[C@H](C)[C@H](C)[*:1])c1ccc(cc1)S(N)(=O)=O
COC(=O)C[C@@H]1CN(Cc2cn(C)nc2-c2ccncc2)CCO1 COC(=O)C[*:1] Cn1cc(CN2CCO[C@@H](C2)[*:1])c(n1)-c1ccncc1
COC(=O)C[C@@H]1CN(Cc2cn(C)nc2-c2ccncc2)CCO1 c1cc(ccn1)[*:1] COC(=O)C[C@@H]1CN(CCO1)Cc1cn(C)nc1[*:1]
COC(=O)C[C@@H]1CN(Cc2cn(C)nc2-c2ccncc2)CCO1 COC(=O)[*:1] Cn1cc(CN2CCO[C@@H](C2)C[*:1])c(n1)-c1ccncc1
CN1CCN(C(=O)NCc2cccnc2)[C@@H](c2ccccc2)C1 c1cncc(c1)C[*:1] CN1CCN(C(=O)N[*:1])[C@H](C1)c1ccccc1
CN1CCN(C(=O)NCc2cccnc2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)NCc2cccnc2)[C@@H](C1)[*:1]
CN1CCN(C(=O)NCc2cccnc2)[C@@H](c2ccccc2)C1 c1cncc(c1)[*:1] CN1CCN(C(=O)NC[*:1])[C@H](C1)c1ccccc1
COc1ccc(OC)c(S(=O)(=O)NCc2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)NC[*:1]
Nn1c(SCc2ccccn2)nnc1C1CCOCC1 c1ccc(nc1)[*:1] Nn1c(nnc1C1CCOCC1)SC[*:1]
Nn1c(SCc2ccccn2)nnc1C1CCOCC1 C1CC(CCO1)[*:1] Nn1c(nnc1[*:1])SCc1ccccn1
CC(C)Cn1nccc1NS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 CC(C)[*:1] O=C(c1cccc(c1)S(=O)(=O)Nc1ccnn1C[*:1])N1CCCC1
CC(C)Cn1nccc1NS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 CC(C)C[*:1] O=C(c1cccc(c1)S(=O)(=O)Nc1ccnn1[*:1])N1CCCC1
CC(C)Cn1nccc1NS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] CC(C)Cn1nccc1NS(=O)(=O)c1cccc(c1)[*:1]
CCCn1nccc1NC(=O)c1cc2cc(Br)ccc2o1 CCC[*:1] O=C(Nc1ccnn1[*:1])c1cc2cc(Br)ccc2o1
Cc1ccc(-c2c(C)sc3nc(CN4CCN(c5ccc(O)cc5)CC4)[nH]c(=O)c23)cc1 Oc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1c(C)sc2nc(CN3CCN(CC3)[*:1])[nH]c(=O)c12
Cc1ccc(-c2c(C)sc3nc(CN4CCN(c5ccc(O)cc5)CC4)[nH]c(=O)c23)cc1 Cc1ccc(cc1)[*:1] Cc1sc2nc(CN3CCN(CC3)c3ccc(O)cc3)[nH]c(=O)c2c1[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)NCCNC(=O)CC2CCCCC2)c1 C1CCC(CC1)C[*:1] Cc1ccc(c(c1)C(=O)NCCNC(=O)[*:1])-n1ccnc1
Cc1ccc(-n2ccnc2)c(C(=O)NCCNC(=O)CC2CCCCC2)c1 c1cn(cn1)[*:1] Cc1ccc(c(c1)C(=O)NCCNC(=O)CC1CCCCC1)[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)NCCNC(=O)CC2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1ccc(c(c1)C(=O)NCCNC(=O)C[*:1])-n1ccnc1
Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](O)C1CCOCC1)CCCO2 C1CC(CCO1)[*:1] Cc1cc2OCCC[C@H]([NH2+]C[C@H](O)[*:1])c2cc1C
CC[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1OC)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1OC)[*:1]
Cn1cc(-c2ncc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)s2)cn1 Cn1cc(cn1)[*:1] O=C(c1cnc(s1)[*:1])N1CCC[C@@H]1c1ccccc1Cl
Cn1cc(-c2ncc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)s2)cn1 Clc1ccccc1[*:1] Cn1cc(cn1)-c1ncc(s1)C(=O)N1CCC[C@H]1[*:1]
Cc1ccccc1-n1ccnc1SC[C@@H](O)CN1CCOCC1 Cc1ccccc1[*:1] O[C@H](CSc1nccn1[*:1])CN1CCOCC1
Cc1ccccc1-n1ccnc1SC[C@@H](O)CN1CCOCC1 C1CN(CCO1)C[*:1] Cc1ccccc1-n1ccnc1SC[C@@H](O)[*:1]
Cc1ccccc1-n1ccnc1SC[C@@H](O)CN1CCOCC1 C1CN(CCO1)[*:1] Cc1ccccc1-n1ccnc1SC[C@@H](O)C[*:1]
O=C(Nc1cccc2nsnc12)c1ccc(-n2ccnc2)nn1 c1cn(cn1)[*:1] O=C(Nc1cccc2nsnc12)c1ccc(nn1)[*:1]
NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C[C@H]1CCCO1 Oc1cccc(c1)[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2C[C@H]1CCCO1)[*:1]
NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2[*:1])-c1cccc(O)c1
NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C[C@H]1CCCO1 NC(=O)[*:1] O=c1[nH]c2c(nc(nc2n1C[C@H]1CCCO1)-c1cccc(O)c1)[*:1]
CO[C@H]1CC[C@@H]2OCCN(Cc3ccc(-c4ccccc4)o3)[C@@H]2C1 c1ccc(cc1)[*:1] CO[C@H]1CC[C@@H]2OCCN(Cc3ccc(o3)[*:1])[C@@H]2C1
O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 Fc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 Fc1ccc(cc1)OC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)[*:1]
O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 Fc1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
C=CC[C@@H](Cc1ccc(C)cc1)C(=O)[O-] O=C([O-])[*:1] C=CC[C@@H](Cc1ccc(C)cc1)[*:1]
C=CC[C@@H](Cc1ccc(C)cc1)C(=O)[O-] C=CC[*:1] Cc1ccc(cc1)C[C@@H](C(=O)[O-])[*:1]
Cc1ccc(S(=O)(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)OCC(=O)NNS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)NNC(=O)CO[*:1]
CC(=O)N1CC[C@@H](c2c(C(=O)Nc3cccc(OC(C)C)c3)sc3ccccc23)C1 CC(C)Oc1cccc(c1)[*:1] CC(=O)N1CC[C@H](C1)c1c(sc2ccccc12)C(=O)N[*:1]
CC(=O)N1CC[C@@H](c2c(C(=O)Nc3cccc(OC(C)C)c3)sc3ccccc23)C1 CC(C)O[*:1] CC(=O)N1CC[C@H](C1)c1c(sc2ccccc12)C(=O)Nc1cccc(c1)[*:1]
CC(=O)N1CC[C@@H](c2c(C(=O)Nc3cccc(OC(C)C)c3)sc3ccccc23)C1 CC(C)[*:1] CC(=O)N1CC[C@H](C1)c1c(sc2ccccc12)C(=O)Nc1cccc(c1)O[*:1]
Cn1cnnc1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] Cn1cnnc1[C@H]1CCCN1C(=O)c1cc(ccc1Cl)[*:1]
Cn1cnnc1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl Cn1cnnc1[*:1] O=C(c1cc(ccc1Cl)[N+](=O)[O-])N1CCC[C@@H]1[*:1]
CC1=C(Cl)/C(=N/S(=O)(=O)c2ccc(C)cc2)[C@H](Cl)[C@@](C)(Cl)C1=O Cc1ccc(cc1)[*:1] CC1C(=O)[C@](C)(Cl)[C@@H](Cl)/C(=N\S(=O)(=O)[*:1])C=1Cl
COc1ccc2oc(=O)c(-c3ccc(OCC(C)=O)cc3)cc2c1 CC(=O)[*:1] COc1ccc2oc(=O)c(cc2c1)-c1ccc(cc1)OC[*:1]
COc1ccc2oc(=O)c(-c3ccc(OCC(C)=O)cc3)cc2c1 CC(=O)CO[*:1] COc1ccc2oc(=O)c(cc2c1)-c1ccc(cc1)[*:1]
COc1ccc2oc(=O)c(-c3ccc(OCC(C)=O)cc3)cc2c1 CC(=O)C[*:1] COc1ccc2oc(=O)c(cc2c1)-c1ccc(cc1)O[*:1]
O=C(N/N=C/c1c[nH]nc1-c1ccccc1)c1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(N/N=C/c1c[nH]nc1[*:1])c1ccc(Cl)cc1Cl
O=C(N/N=C/c1c[nH]nc1-c1ccccc1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(N/N=C/c1c[nH]nc1-c1ccccc1)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 Cc1ccc(Cl)cc1[*:1] O=S(=O)(N1CCC(CC1)Cn1cc[nH+]c1-c1ccccc1)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)Cn1cc[nH+]c1[*:1]
C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC1)C(=O)[*:1]
CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] CN(C(=O)[C@@H]([NH3+])C[*:1])C1CCCC1
CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)C1CCCC1 C1CCC(C1)[*:1] CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[*:1]
COC(=O)c1cc(Nc2ccn(C)n2)cc(C)c1N Cn1ccc(n1)[*:1] COC(=O)c1cc(cc(C)c1N)N[*:1]
COC(=O)c1cc(Nc2ccn(C)n2)cc(C)c1N COC(=O)[*:1] Cc1cc(cc(c1N)[*:1])Nc1ccn(C)n1
COc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H]([NH2+]Cc1cc[nH]c1)c1nc(-c2ccncc2)no1 CC(C)[*:1] c1cc(ccn1)-c1noc(n1)[C@H]([NH2+]Cc1cc[nH]c1)[*:1]
CC(C)[C@@H]([NH2+]Cc1cc[nH]c1)c1nc(-c2ccncc2)no1 c1cc(c[nH]1)[*:1] CC(C)[C@@H]([NH2+]C[*:1])c1nc(no1)-c1ccncc1
CC(C)[C@@H]([NH2+]Cc1cc[nH]c1)c1nc(-c2ccncc2)no1 c1cc(ccn1)[*:1] CC(C)[C@@H]([NH2+]Cc1cc[nH]c1)c1nc(no1)[*:1]
COc1c(Br)cccc1CCNC(=O)C1CC1 C1CC1[*:1] COc1c(Br)cccc1CCNC(=O)[*:1]
COCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 COCC[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1[*:1]
COCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 COC[*:1] O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1C[*:1]
COCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1[*:1]
C[C@]1(C(=O)NCCCN2CCOCC2)CC1(Cl)Cl C1CN(CCO1)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)NCCC[*:1]
O=C(Cc1ccccc1Cl)Nc1nccs1 c1csc(n1)[*:1] O=C(Cc1ccccc1Cl)N[*:1]
CCc1ccccc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O CCc1ccccc1[*:1] Cn1cnc2c1c(=O)n(CC(=O)N[*:1])c(=O)n2C
CCc1nn(C)c(N[C@@H](C)c2nc3ccccc3[nH]2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(N[C@@H](C)c2nc3ccccc3[nH]2)c1[*:1]
COc1ccccc1CC(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1C Cc1cnccc1[*:1] COc1ccccc1CC(=O)N1CCCC[C@H]1c1n[nH]cc1[*:1]
COc1ccccc1CC(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1C COc1ccccc1[*:1] Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)C[*:1]
COc1ccccc1CC(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1C COc1ccccc1C[*:1] Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)[*:1]
O=C(Cc1csc(-c2nc[nH]n2)n1)N[C@H](c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1nc[nH]n1)N[C@H](c1cccs1)[*:1]
O=C(Cc1csc(-c2nc[nH]n2)n1)N[C@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] O=C(Cc1csc(n1)-c1nc[nH]n1)N[C@H](c1ccc(F)cc1)[*:1]
CC[C@H](CNC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)Oc1ccccc1F Fc1ccccc1[*:1] CC[C@H](CNC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)O[*:1]
CC[C@H](CNC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)Oc1ccccc1F Fc1ccccc1O[*:1] CC[C@H](CNC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CCC1(CC)CCN(C(=O)NC(CC)(CC)C(=O)[O-])CC1 O=C([O-])[*:1] CCC1(CC)CCN(CC1)C(=O)NC(CC)(CC)[*:1]
NC1=[NH+]C[C@@H](C2CCCC2)N1C[C@@H]1CCCO1 C1CCC(C1)[*:1] NC1=[NH+]C[C@@H](N1C[C@@H]1CCCO1)[*:1]
NC1=[NH+]C[C@@H](C2CCCC2)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] NC1=[NH+]C[C@@H](C2CCCC2)N1C[*:1]
CCc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)C[*:1] O=C(c1cc(ccc1Cl)[N+](=O)[O-])N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)[*:1] O=C(c1cc(ccc1Cl)[N+](=O)[O-])N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)CN(C(=O)c1cc(ccc1Cl)[*:1])[C@@H]1CCS(=O)(=O)C1
CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ncn(C)c1Cl Cn1cnc(c1Cl)[*:1] CN(Cc1ccc2OCOc2c1)S(=O)(=O)[*:1]
CC[C@H](NC(=O)NC1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)NC1CCN(CC1)C(C)=O)c1cccc(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1nnnn1C1CCCC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)CSc1nnnn1C1CCCC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1nnnn1C1CCCC1 C1CCC(C1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1nnnn1[*:1]
CC(C)(C)c1nc2cc(NC(=O)c3cc4c([nH]c3=O)CCCC4=O)ccc2o1 CC(C)(C)[*:1] O=C1CCCc2[nH]c(=O)c(cc21)C(=O)Nc1ccc2oc(nc2c1)[*:1]
Cn1cc(S(=O)(=O)N2CC[C@H](c3cccc(F)c3)C2)cn1 Fc1cccc(c1)[*:1] Cn1cc(cn1)S(=O)(=O)N1CC[C@H](C1)[*:1]
Cn1cc(S(=O)(=O)N2CC[C@H](c3cccc(F)c3)C2)cn1 Cn1cc(cn1)[*:1] O=S(=O)(N1CC[C@@H](C1)c1cccc(F)c1)[*:1]
CC[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] CC[C@@H]1CCCN1C(=O)NCc1ccc(o1)[*:1]
CCOC(=O)N1CCC(NC(=O)NCCCn2cccn2)CC1 c1cnn(c1)C[*:1] CCOC(=O)N1CCC(CC1)NC(=O)NCC[*:1]
CCOC(=O)N1CCC(NC(=O)NCCCn2cccn2)CC1 c1cnn(c1)CC[*:1] CCOC(=O)N1CCC(CC1)NC(=O)NC[*:1]
CCOC(=O)N1CCC(NC(=O)NCCCn2cccn2)CC1 c1cnn(c1)[*:1] CCOC(=O)N1CCC(CC1)NC(=O)NCCC[*:1]
C[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
Cc1cc(NC(=O)[C@H](C)c2ccc(Br)s2)ccn1 Brc1ccc(s1)[*:1] Cc1cc(ccn1)NC(=O)[C@H](C)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)NC[C@](C)(O)c1cccs1 c1csc(c1)[*:1] CC[C@@H](C)C[C@H](C)NC(=O)NC[C@](C)(O)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)NC[C@](C)(O)c1cccs1 CC[C@@H](C)[*:1] C[C@@H](C[*:1])NC(=O)NC[C@](C)(O)c1cccs1
CC[C@@H](C)C[C@H](C)NC(=O)NC[C@](C)(O)c1cccs1 CC[C@@H](C)C[*:1] C[C@H](NC(=O)NC[C@](C)(O)c1cccs1)[*:1]
Cc1cccc(C(N)=O)c1NCC(=O)NC(=O)NCCc1cccs1 c1csc(c1)[*:1] Cc1cccc(C(N)=O)c1NCC(=O)NC(=O)NCC[*:1]
Cc1cccc(C(N)=O)c1NCC(=O)NC(=O)NCCc1cccs1 c1csc(c1)CC[*:1] Cc1cccc(C(N)=O)c1NCC(=O)NC(=O)N[*:1]
Cc1cccc(C(N)=O)c1NCC(=O)NC(=O)NCCc1cccs1 c1csc(c1)C[*:1] Cc1cccc(C(N)=O)c1NCC(=O)NC(=O)NC[*:1]
Cc1cccc(C(N)=O)c1NCC(=O)NC(=O)NCCc1cccs1 NC(=O)[*:1] Cc1cccc(c1NCC(=O)NC(=O)NCCc1cccs1)[*:1]
COc1ccc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(Cl)cc1NC(=O)c1ccc(cc1)O[*:1]
COc1ccc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] COc1ccc(Cl)cc1NC(=O)c1ccc(cc1)[*:1]
O[C@@H](c1ccccc1)c1nc2ccccc2n1C/C=C/c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](c1ccccc1)c1nc2ccccc2n1CC=C[*:1]
O[C@@H](c1ccccc1)c1nc2ccccc2n1C/C=C/c1ccccc1 O[C@@H](c1ccccc1)[*:1] C(=C/c1ccccc1)\Cn1c(nc2ccccc21)[*:1]
O[C@@H](c1ccccc1)c1nc2ccccc2n1C/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 O[C@@H](c1ccccc1)c1nc2ccccc2n1C[*:1]
O[C@@H](c1ccccc1)c1nc2ccccc2n1C/C=C/c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](c1nc2ccccc2n1C/C=C/c1ccccc1)[*:1]
Cc1ncn(-c2cc(N3CCN(C(=O)Cc4ccccc4)CC3)ncn2)c1C c1ccc(cc1)[*:1] Cc1ncn(-c2cc(ncn2)N2CCN(CC2)C(=O)C[*:1])c1C
Cc1ncn(-c2cc(N3CCN(C(=O)Cc4ccccc4)CC3)ncn2)c1C Cc1ncn(c1C)[*:1] O=C(Cc1ccccc1)N1CCN(CC1)c1cc(ncn1)[*:1]
Cc1ncn(-c2cc(N3CCN(C(=O)Cc4ccccc4)CC3)ncn2)c1C c1ccc(cc1)C[*:1] Cc1ncn(-c2cc(ncn2)N2CCN(CC2)C(=O)[*:1])c1C
CSc1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 C1CO[C@@H](C1)C[*:1] CSc1ccc(cc1)[C@@H]1C(C(=O)O[*:1])=C(C)NC2CCCC(=O)C=21
CSc1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 C1CO[C@@H](C1)[*:1] CSc1ccc(cc1)[C@@H]1C(C(=O)OC[*:1])=C(C)NC2CCCC(=O)C=21
CSc1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 CSc1ccc(cc1)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)OC[C@@H]1CCCO1)[*:1]
CSc1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 O=C(OC[C@@H]1CCCO1)[*:1] CSc1ccc(cc1)[C@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
Cc1cc([N+](=O)[O-])cnc1Nc1ccc(NC2CCOCC2)cc1 C1CC(CCO1)[*:1] Cc1cc(cnc1Nc1ccc(cc1)N[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1Nc1ccc(NC2CCOCC2)cc1 O=[N+]([O-])[*:1] Cc1cc(cnc1Nc1ccc(cc1)NC1CCOCC1)[*:1]
Cc1cc([N+](=O)[O-])cnc1Nc1ccc(NC2CCOCC2)cc1 C1CC(CCO1)N[*:1] Cc1cc(cnc1Nc1ccc(cc1)[*:1])[N+](=O)[O-]
O=C([O-])CCc1cnc(C2CCCCC2)o1 O=C([O-])CC[*:1] c1nc(oc1[*:1])C1CCCCC1
O=C([O-])CCc1cnc(C2CCCCC2)o1 O=C([O-])[*:1] c1nc(oc1CC[*:1])C1CCCCC1
O=C([O-])CCc1cnc(C2CCCCC2)o1 O=C([O-])C[*:1] c1nc(oc1C[*:1])C1CCCCC1
O=C([O-])COc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 O=C([O-])C[*:1] O=S(=O)(c1ccc(cc1)O[*:1])N1CCC(O)CC1
O=C([O-])COc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 O=C([O-])CO[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC(O)CC1
O=C([O-])COc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 O=C([O-])[*:1] O=S(=O)(c1ccc(cc1)OC[*:1])N1CCC(O)CC1
O=C(CSCC(F)(F)F)NC1CCCC1 FC(F)(F)[*:1] O=C(CSC[*:1])NC1CCCC1
O=C(CSCC(F)(F)F)NC1CCCC1 C1CCC(C1)[*:1] O=C(CSCC(F)(F)F)N[*:1]
O=C(CSCC(F)(F)F)NC1CCCC1 FC(F)(F)C[*:1] O=C(CS[*:1])NC1CCCC1
Cc1ccnc(NC(=O)c2ncccc2C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccnc(c1)NC(=O)c1ncccc1[*:1]
COc1ccc([C@@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCCC3)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@]1(O)CN(C2CCCCC[N+]=21)[*:1]
COc1ccc([C@@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCCC3)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@](O)([N+]2CCCCCC=21)[*:1]
Cc1ccc2nc(C)cc(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)c2c1 NS(=O)(=O)[*:1] Cc1ccc2nc(C)cc(C(=O)Nc3ccc(C)c(c3)[*:1])c2c1
Cc1ccc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 Cc1ccc(cn1)O[*:1] O=S(=O)(c1ccc(cc1)OCC[*:1])N1CCOCC1
Cc1ccc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 Cc1ccc(cn1)[*:1] O=S(=O)(c1ccc(cc1)OCCO[*:1])N1CCOCC1
COc1cccc(C(=O)NC[C@H](C)N2CCOCC2)c1F C1CN(CCO1)[*:1] COc1cccc(C(=O)NC[C@H](C)[*:1])c1F
Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)Nc1ccc(cc1)C(=O)N1CCOCC1)[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)o1 O=C(N1CCOCC1)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccccc1C(=O)N[C@H](C(=O)N1CCCC[C@@H]1C)C(C)C CCO[*:1] CC(C)[C@H](NC(=O)c1ccccc1[*:1])C(=O)N1CCCC[C@@H]1C
CCOc1ccccc1C(=O)N[C@H](C(=O)N1CCCC[C@@H]1C)C(C)C CC(C)[*:1] CCOc1ccccc1C(=O)N[C@H](C(=O)N1CCCC[C@@H]1C)[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCNC(=O)C(C)(C)C CC(C)(C)C(=O)NC[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CC[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCNC(=O)C(C)(C)C CC(C)(C)C(=O)N[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCC[*:1]
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCNC(=O)C(C)(C)C CC(C)(C)[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCNC(=O)[*:1]
N#C[C@H](C(=O)Nc1ncc(-c2ccccc2)s1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] N#C[C@H](C(=O)Nc1ncc(s1)[*:1])c1nc2ccccc2[nH]1
CCOC(=O)NCCC(=O)Nc1ccc(Cl)cc1Cl CCOC(=O)N[*:1] O=C(CC[*:1])Nc1ccc(Cl)cc1Cl
CCOc1ccc(NC(=O)CSCc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1 CCO[*:1] Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3ccc(cc3)[*:1])[nH]c2c1
CCOc1ccc(NC(=O)CSCc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1 CCOc1ccc(cc1)[*:1] Cc1cc(C)c2c(=O)cc(CSCC(=O)N[*:1])[nH]c2c1
C[C@@H](CCO)CNC(=O)CC1(C)CCCCC1 C[C@@H](CCO)[*:1] CC1(CCCCC1)CC(=O)NC[*:1]
C[C@@H](CCO)CNC(=O)CC1(C)CCCCC1 OCC[*:1] C[C@@H](CNC(=O)CC1(C)CCCCC1)[*:1]
C=CCn1c(Sc2nc(CC)ns2)nnc1-c1cccc(C)c1 C=CC[*:1] CCc1nsc(n1)Sc1nnc(-c2cccc(C)c2)n1[*:1]
C=CCn1c(Sc2nc(CC)ns2)nnc1-c1cccc(C)c1 CCc1nsc(n1)[*:1] C=CCn1c(nnc1-c1cccc(C)c1)S[*:1]
C=CCn1c(Sc2nc(CC)ns2)nnc1-c1cccc(C)c1 Cc1cccc(c1)[*:1] C=CCn1c(nnc1[*:1])Sc1nc(CC)ns1
O=C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1 O=[N+]([O-])[*:1] O=C1CCN(CCN1)Cc1ccc(c(F)c1)[*:1]
O=C(NCC#CCOc1cccnc1)NC(c1ccccc1)c1ccccc1 c1cncc(c1)O[*:1] O=C(NCC#CC[*:1])NC(c1ccccc1)c1ccccc1
O=C(NCC#CCOc1cccnc1)NC(c1ccccc1)c1ccccc1 c1cncc(c1)[*:1] O=C(NCC#CCO[*:1])NC(c1ccccc1)c1ccccc1
O=C(NCC#CCOc1cccnc1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC#CCOc1cccnc1)NC(c1ccccc1)[*:1]
O=C(NCC#CCOc1cccnc1)NC(c1ccccc1)c1ccccc1 c1cncc(c1)OC[*:1] O=C(NCC#C[*:1])NC(c1ccccc1)c1ccccc1
COc1cccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)n1 O=C1CCCN1[*:1] COc1cccc(n1)C(=O)NCc1ccc(cc1)C[*:1]
COc1cccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)n1 O=C1CCCN1C[*:1] COc1cccc(n1)C(=O)NCc1ccc(cc1)[*:1]
COc1cccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)n1 COc1cccc(n1)[*:1] O=C1CCCN1Cc1ccc(cc1)CNC(=O)[*:1]
COC[C@](C)(CCO)[NH2+]Cc1nnc2n(C)c(=O)c3cc(C)ccc3n12 COC[*:1] Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH2+][C@](C)(CCO)[*:1])n21
COC[C@](C)(CCO)[NH2+]Cc1nnc2n(C)c(=O)c3cc(C)ccc3n12 OCC[*:1] COC[C@](C)([NH2+]Cc1nnc2n(C)c(=O)c3cc(C)ccc3n12)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)NCc2csc(=O)[nH]2)c1C(C)C O=c1[nH]c(cs1)C[*:1] CC(=O)c1c(C)[nH]c(C(=O)N[*:1])c1C(C)C
CC(=O)c1c(C)[nH]c(C(=O)NCc2csc(=O)[nH]2)c1C(C)C O=c1[nH]c(cs1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)NC[*:1])c1C(C)C
CC(=O)c1c(C)[nH]c(C(=O)NCc2csc(=O)[nH]2)c1C(C)C CC(C)[*:1] CC(=O)c1c(C)[nH]c(C(=O)NCc2csc(=O)[nH]2)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)NCc2csc(=O)[nH]2)c1C(C)C CC(=O)[*:1] Cc1[nH]c(C(=O)NCc2csc(=O)[nH]2)c(c1[*:1])C(C)C
CCCN(CC1CC1)S(=O)(=O)c1cccc(C#N)c1 C1CC1[*:1] CCCN(C[*:1])S(=O)(=O)c1cccc(C#N)c1
CCCN(CC1CC1)S(=O)(=O)c1cccc(C#N)c1 CCC[*:1] N#Cc1cccc(c1)S(=O)(=O)N(CC1CC1)[*:1]
CCCN(CC1CC1)S(=O)(=O)c1cccc(C#N)c1 C1CC1C[*:1] CCCN(S(=O)(=O)c1cccc(C#N)c1)[*:1]
CC(C)Oc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 CC(C)[*:1] O=S(=O)(NCc1ccc(F)cc1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)NC[*:1]
CC(C)Oc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 CC(C)O[*:1] O=S(=O)(NCc1ccc(F)cc1)c1ccc(cc1)[*:1]
CS[C@H]1CC[C@H](NC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)C1 c1ccc(cc1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N(C)[C@H]1CCCN(C1=O)[*:1]
COC(=O)[C@H](c1ccccn1)N1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] COC(=O)[C@H](c1ccccn1)N1CCN(CC1)C(=O)O[*:1]
COC(=O)[C@H](c1ccccn1)N1CCN(C(=O)OC(C)(C)C)CC1 COC(=O)[*:1] CC(C)(C)OC(=O)N1CCN(CC1)[C@@H](c1ccccn1)[*:1]
COC(=O)[C@H](c1ccccn1)N1CCN(C(=O)OC(C)(C)C)CC1 c1ccc(nc1)[*:1] COC(=O)[C@H](N1CCN(CC1)C(=O)OC(C)(C)C)[*:1]
COc1cccc([C@@H](CO)NC(=O)N[C@H](c2ccc(F)cc2)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)N[C@H](c1ccc(F)cc1)[*:1]
COc1cccc([C@@H](CO)NC(=O)N[C@H](c2ccc(F)cc2)C2CC2)c1 COc1cccc(c1)[*:1] O=C(N[C@H](c1ccc(F)cc1)C1CC1)N[C@H](CO)[*:1]
COc1cccc([C@@H](CO)NC(=O)N[C@H](c2ccc(F)cc2)C2CC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)N[C@H](C1CC1)[*:1]
C[C@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCCN(CC1)C(=O)[*:1]
COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCC2)cc1 COc1ccc(cc1)[*:1] Cc1nnc2S[C@H](C(=O)N3CCCC3)[C@H](Nn12)[*:1]
COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] COc1ccc(cc1)[C@H]1Nn2c(C)nnc2S[C@H]1[*:1]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCc1c(C)noc1C Cc1noc(C)c1C[*:1] Cc1ccc(cc1S(=O)(=O)NCC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCc1c(C)noc1C Cc1noc(C)c1[*:1] Cc1ccc(cc1S(=O)(=O)NCCC[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCc1c(C)noc1C O=[N+]([O-])[*:1] Cc1ccc(cc1S(=O)(=O)NCCCc1c(C)noc1C)[*:1]
NC(=O)[C@H]1COCCN1CC(=O)NCCc1ccccc1 NC(=O)[*:1] O=C(CN1CCOC[C@@H]1[*:1])NCCc1ccccc1
NC(=O)[C@H]1COCCN1CC(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H]1COCCN1CC(=O)NCC[*:1]
NC(=O)[C@H]1COCCN1CC(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] NC(=O)[C@H]1COCCN1CC(=O)NC[*:1]
CCOc1ccc(C2=N/C(=C\c3ccc(C)s3)C(=O)O2)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])C1=N/C(=C\c2ccc(C)s2)C(=O)O1
CCOc1ccc(C2=N/C(=C\c3ccc(C)s3)C(=O)O2)cc1OCC Cc1ccc(s1)[*:1] CCOc1ccc(cc1OCC)C1=NC(=C[*:1])C(=O)O1
CCOc1ccc(C2=N/C(=C\c3ccc(C)s3)C(=O)O2)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])C1=N/C(=C\c2ccc(C)s2)C(=O)O1
N#CCSc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 N#CCS[*:1] O=C(c1cccc(c1)[*:1])N1CCO[C@@H]2CCCC[C@@H]21
N#CCSc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 N#CC[*:1] O=C(c1cccc(c1)S[*:1])N1CCO[C@@H]2CCCC[C@@H]21
CCc1cccc(C)c1NC(=O)N[C@@H](C)Cc1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)N[C@@H](C)C[*:1]
CCOCCOC[C@@H](O)CCl CCO[*:1] O[C@@H](CCl)COCC[*:1]
COC(=O)N[C@@H]1c2ccccc2Oc2ccc(C)cc21 COC(=O)N[*:1] Cc1ccc2Oc3ccccc3[C@H](c2c1)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc(C(C)(C)C)on1)c1ccccc1 COC(=O)[*:1] C[C@@H]([C@@H](NC(=O)c1cc(on1)C(C)(C)C)c1ccccc1)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc(C(C)(C)C)on1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc(on1)C(C)(C)C)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc(C(C)(C)C)on1)c1ccccc1 CC(C)(C)[*:1] COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc(on1)[*:1])c1ccccc1
COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc(C(C)(C)C)on1)c1ccccc1 COC(=O)[C@@H](C)[*:1] CC(C)(C)c1cc(no1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 FC(F)(F)O[*:1] Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CC1)NC(=NO2)c1ccc(cc1)[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 FC(F)(F)Oc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CC1)NC(=NO2)[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 FC(F)(F)[*:1] Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CC1)NC(=NO2)c1ccc(cc1)O[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 Cc1cccc(C)c1[*:1] O=C(C[NH+]1CCC2(CC1)NC(=NO2)c1ccc(cc1)OC(F)(F)F)N[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 Cc1cccc(C)c1NC(=O)[*:1] FC(F)(F)Oc1ccc(cc1)C1=NOC2(CC[NH+](CC2)C[*:1])N1
O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCN(CC1)[*:1]
O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1 Clc1ccc(s1)[*:1] O=C([C@H]1CCCN1S(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1
CN(Cc1cnn(C)c1)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 C1Cc2nnc(n2C1)[*:1] CN(Cc1cnn(C)c1)C(=O)Nc1cccc(c1)[*:1]
CN(Cc1cnn(C)c1)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 Cn1cc(cn1)C[*:1] CN(C(=O)Nc1cccc(c1)-c1nnc2CCCn21)[*:1]
CN(Cc1cnn(C)c1)C(=O)Nc1cccc(-c2nnc3n2CCC3)c1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)-c1nnc2CCCn21
CCCC[NH2+]CCOc1cccnc1C CCC[*:1] Cc1ncccc1OCC[NH2+]C[*:1]
CCCC[NH2+]CCOc1cccnc1C CCCC[*:1] Cc1ncccc1OCC[NH2+][*:1]
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC3CCCC3)n2)cc1 C1CCC(C1)C[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@@H](C#N)C(=O)C[*:1]
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC3CCCC3)n2)cc1 N#Cc1ccc(cc1)[*:1] N#C[C@@H](C(=O)CCC1CCCC1)c1nc(cs1)[*:1]
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC3CCCC3)n2)cc1 C1CCC(C1)CC[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@@H](C#N)C(=O)[*:1]
N#Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCC3CCCC3)n2)cc1 C1CCC(C1)[*:1] N#Cc1ccc(cc1)-c1csc(n1)[C@@H](C#N)C(=O)CC[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2)CC1=O CCC[C@H](C)[*:1] O=C(Nc1ccc(nc1)N1CCCC1)[C@H]1CC(=O)N(C1)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2)CC1=O CCC[*:1] C[C@H](N1C[C@H](CC1=O)C(=O)Nc1ccc(nc1)N1CCCC1)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2)CC1=O C1CCN(C1)[*:1] CCC[C@H](C)N1C[C@H](CC1=O)C(=O)Nc1ccc(nc1)[*:1]
CNC(=O)c1cccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]C3)C2)c1 CNC(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CC[C@@]2(CCC[NH2+]C2)C1
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(F)cc2)n2ncnc2N1 Fc1ccc(cc1)[*:1] CC1Nc2ncnn2[C@@H](C=1C(=O)Nc1ccc(C)cc1C)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(F)cc2)n2ncnc2N1 Cc1ccc(c(C)c1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)N[*:1])c1ccc(F)cc1
COc1cc(NC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)CN(C(=O)C3CC3)C2)cc(OC)c1 Cc1cc(ccc1F)[*:1] COc1cc(cc(c1)OC)NC(=O)[C@@H]1C[C@@H](CN(C1)C(=O)C1CC1)[*:1]
COc1cc(NC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)CN(C(=O)C3CC3)C2)cc(OC)c1 C1CC1[*:1] COc1cc(cc(c1)OC)NC(=O)[C@@H]1C[C@H](CN(C1)C(=O)[*:1])c1ccc(F)c(C)c1
COc1cc(NC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)CN(C(=O)C3CC3)C2)cc(OC)c1 COc1cc(cc(c1)[*:1])OC Cc1cc(ccc1F)[C@@H]1C[C@H](CN(C1)C(=O)C1CC1)C(=O)N[*:1]
CCNc1ccc(C(=O)N[C@@H]2CCCCC2(C)C)n[nH+]1 CCN[*:1] CC1(C)CCCC[C@H]1NC(=O)c1ccc([nH+]n1)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 CCC[*:1] CC(C)(C)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 CC(C)(C)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 CCCNC(=O)[*:1] CC(C)(C)C(=O)N1CCC[C@H](C1)[*:1]
CCn1c(CS[C@@H](C)[C@H](C)O)nc2cc(S(=O)(=O)N(C)C)ccc21 C[C@H](O)[*:1] CCn1c(CS[C@@H](C)[*:1])nc2cc(ccc21)S(=O)(=O)N(C)C
CCn1c(CS[C@@H](C)[C@H](C)O)nc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] CCn1c(CS[C@@H](C)[C@H](C)O)nc2cc(ccc21)[*:1]
CCC[C@@H](C#N)[C@@H](O)CC(C)(C)C CCC[*:1] CC(C)(C)C[C@H](O)[C@H](C#N)[*:1]
CCC[C@@H](C#N)[C@@H](O)CC(C)(C)C CC(C)(C)[*:1] CCC[C@@H](C#N)[C@@H](O)C[*:1]
Cc1nc(NCc2ncoc2C)c2c3c(sc2n1)CCCC3 Cc1ocnc1[*:1] Cc1nc(NC[*:1])c2c3CCCCc3sc2n1
Cc1nc(NCc2ncoc2C)c2c3c(sc2n1)CCCC3 Cc1ocnc1C[*:1] Cc1nc(N[*:1])c2c3CCCCc3sc2n1
CCCCN(C(=O)N[C@@H]1C=CCCC1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCCN(C(=O)N[C@@H]1C=CCCC1)[*:1]
CCCCN(C(=O)N[C@@H]1C=CCCC1)[C@H]1CCS(=O)(=O)C1 CCCC[*:1] O=C(N[C@@H]1C=CCCC1)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCCCN(C(=O)N[C@@H]1C=CCCC1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(N[C@@H]1C=CCCC1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CS[C@H]1CCC[C@@H]1NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)c1cnc(cn1)O[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] CS[C@H]1CCC[C@@H]1NC(=O)c1cnc(cn1)[*:1]
C[C@@H]([NH3+])Cc1nc([C@H]2CSCCO2)no1 C[C@@H]([NH3+])C[*:1] C1CSC[C@@H](O1)c1noc(n1)[*:1]
Fc1ccc(C(F)(F)F)cc1CN1CCO[C@@H](c2nccs2)C1 c1csc(n1)[*:1] Fc1ccc(cc1CN1CCO[C@@H](C1)[*:1])C(F)(F)F
Fc1ccc(C(F)(F)F)cc1CN1CCO[C@@H](c2nccs2)C1 FC(F)(F)[*:1] Fc1ccc(cc1CN1CCO[C@H](C1)c1nccs1)[*:1]
O=C(Nc1cn[nH]c1)N[C@H]1CCCC[C@@H]1CO c1n[nH]cc1[*:1] O=C(N[C@H]1CCCC[C@@H]1CO)N[*:1]
CC(=O)N(Cc1ccc(NC(=O)[C@H](O)c2ccccc2)cc1)C(C)C O[C@H](c1ccccc1)[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)[*:1])C(C)C
CC(=O)N(Cc1ccc(NC(=O)[C@H](O)c2ccccc2)cc1)C(C)C CC(=O)N(C(C)C)[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@H](O)c1ccccc1
CC(=O)N(Cc1ccc(NC(=O)[C@H](O)c2ccccc2)cc1)C(C)C c1ccc(cc1)[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)[C@H](O)[*:1])C(C)C
CC(=O)N(Cc1ccc(NC(=O)[C@H](O)c2ccccc2)cc1)C(C)C CC(=O)N(C[*:1])C(C)C O=C(Nc1ccc(cc1)[*:1])[C@H](O)c1ccccc1
CC(=O)N(Cc1ccc(NC(=O)[C@H](O)c2ccccc2)cc1)C(C)C CC(C)[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)[C@H](O)c1ccccc1)[*:1]
COc1ccc(/C=N\NC2=NC(=O)C[C@@H](C(=O)Nc3ccccc3C)S2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(NN=C[*:1])S1
COc1ccc(/C=N\NC2=NC(=O)C[C@@H](C(=O)Nc3ccccc3C)S2)cc1 Cc1ccccc1[*:1] COc1ccc(/C=N\NC2=NC(=O)C[C@H](S2)C(=O)N[*:1])cc1
COC(=O)Cc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] COC(=O)Cc1ccc(cc1)[*:1]
COC(=O)Cc1ccc(S(C)(=O)=O)cc1 COC(=O)C[*:1] CS(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)Cc1ccc(S(C)(=O)=O)cc1 COC(=O)[*:1] CS(=O)(=O)c1ccc(cc1)C[*:1]
O=C(Nc1ccc(C[NH2+]Cc2cccc3cccnc23)cc1)c1ccco1 O=C(N[*:1])c1ccco1 c1cnc2c(cccc2c1)C[NH2+]Cc1ccc(cc1)[*:1]
O=C(Nc1ccc(C[NH2+]Cc2cccc3cccnc23)cc1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)C[NH2+]Cc1cccc2cccnc12)[*:1]
[NH3+][C@]1(C(=O)[O-])CCC[C@@H](OC2CCC2)C1 C1CC(C1)[*:1] [NH3+][C@@]1(CCC[C@H](C1)O[*:1])C(=O)[O-]
[NH3+][C@]1(C(=O)[O-])CCC[C@@H](OC2CCC2)C1 C1CC(C1)O[*:1] [NH3+][C@@]1(CCC[C@@H](C1)[*:1])C(=O)[O-]
[NH3+][C@]1(C(=O)[O-])CCC[C@@H](OC2CCC2)C1 O=C([O-])[*:1] [NH3+][C@@]1(CCC[C@H](C1)OC1CCC1)[*:1]
c1ccc(-c2nc(C[NH+](Cc3ccncc3)C3CC3)no2)cc1 c1cc(ccn1)C[*:1] c1ccc(cc1)-c1nc(C[NH+](C2CC2)[*:1])no1
c1ccc(-c2nc(C[NH+](Cc3ccncc3)C3CC3)no2)cc1 c1cc(ccn1)[*:1] c1ccc(cc1)-c1nc(C[NH+](C[*:1])C2CC2)no1
c1ccc(-c2nc(C[NH+](Cc3ccncc3)C3CC3)no2)cc1 c1ccc(cc1)[*:1] c1cc(ccn1)C[NH+](Cc1noc(n1)[*:1])C1CC1
NC(=O)[C@@H](CNC(=O)c1cc(F)ccc1O)Cc1ccc(F)cc1 NC(=O)[*:1] O=C(NC[C@@H](Cc1ccc(F)cc1)[*:1])c1cc(F)ccc1O
NC(=O)[C@@H](CNC(=O)c1cc(F)ccc1O)Cc1ccc(F)cc1 Oc1ccc(F)cc1[*:1] NC(=O)[C@@H](CNC(=O)[*:1])Cc1ccc(F)cc1
NC(=O)[C@@H](CNC(=O)c1cc(F)ccc1O)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] NC(=O)[C@@H](CNC(=O)c1cc(F)ccc1O)[*:1]
NC(=O)[C@@H](CNC(=O)c1cc(F)ccc1O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@@H](CNC(=O)c1cc(F)ccc1O)C[*:1]
CCCc1cc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)n(C)n1 CCC[*:1] Cn1cc[nH+]c1C[C@H]1CCCN(C1)C(=O)Nc1cc(nn1C)[*:1]
COc1ccc(CC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1 COc1ccc(cc1)[*:1] Cc1cc(nc(n1)Nc1ccc(cc1)NC(=O)C[*:1])N(C)C
COc1ccc(CC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1 COc1ccc(cc1)C[*:1] Cc1cc(nc(n1)Nc1ccc(cc1)NC(=O)[*:1])N(C)C
COc1ccc(CC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1 CN(C)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(cc1)Nc1nc(C)cc(n1)[*:1]
CC[NH+](Cc1ccc(N)c([N+](=O)[O-])c1)Cc1ccccn1 c1ccc(C[*:1])nc1 CC[NH+](Cc1ccc(N)c(c1)[N+](=O)[O-])[*:1]
CC[NH+](Cc1ccc(N)c([N+](=O)[O-])c1)Cc1ccccn1 c1ccc(nc1)[*:1] CC[NH+](Cc1ccc(N)c(c1)[N+](=O)[O-])C[*:1]
CC[NH+](Cc1ccc(N)c([N+](=O)[O-])c1)Cc1ccccn1 O=[N+]([O-])[*:1] CC[NH+](Cc1ccc(N)c(c1)[*:1])Cc1ccccn1
C[NH+](C)CCN1CCC([NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 C[NH+](C)CC[*:1] c1cn(cn1)-c1ccc(cc1)C[NH2+]C1CCN(CC1)[*:1]
C[NH+](C)CCN1CCC([NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 c1cn(cn1)[*:1] C[NH+](C)CCN1CCC(CC1)[NH2+]Cc1ccc(cc1)[*:1]
c1ccc(CN2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1 c1ccc(cc1)[*:1] C1C2CC3CC1CC(C2)C3[NH+]1CCN(CC1)C[*:1]
c1ccc(CN2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1 c1ccc(cc1)C[*:1] C1C2CC3CC1CC(C2)C3[NH+]1CCN(CC1)[*:1]
O=C([O-])c1ccc(NCc2ccccc2)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(NC[*:1])c(c1)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]
O=C([O-])c1ccc(NCc2ccccc2)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] O=C([O-])c1ccc(NCc2ccccc2)c(c1)NC(=O)[C@@H]1CC=CC[C@H]1[*:1]
O=C([O-])c1ccc(NCc2ccccc2)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 c1ccc(cc1)C[*:1] O=C([O-])c1ccc(N[*:1])c(c1)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]
O=C([O-])c1ccc(NCc2ccccc2)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 c1ccc(cc1)CN[*:1] O=C([O-])c1ccc(c(c1)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])[*:1]
O=C([O-])c1ccc(NCc2ccccc2)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc(ccc1NCc1ccccc1)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Cn2cncn2)c1 c1ncn(n1)[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(c1)C[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Cn2cncn2)c1 c1ncn(C[*:1])n1 CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(c1)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Cn2cncn2)c1 CCS[*:1] O=C(NCc1cccc(c1)Cn1cncn1)N[C@@H]1CCCC[C@H]1[*:1]
O=C(c1cc(Cl)ccc1O)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1cc(Cl)ccc1O)N1CCC(O)(CC1)[*:1]
O=C([C@H]1C[C@H]2CC[C@@H]1O2)N(Cc1cc(F)ccc1F)C1CCCC1 C1CCC(C1)[*:1] O=C([C@H]1C[C@H]2CC[C@@H]1O2)N(Cc1cc(F)ccc1F)[*:1]
O=C([C@H]1C[C@H]2CC[C@@H]1O2)N(Cc1cc(F)ccc1F)C1CCCC1 Fc1ccc(F)c(c1)[*:1] O=C([C@H]1C[C@H]2CC[C@@H]1O2)N(C[*:1])C1CCCC1
N#Cc1cc(NC(=O)CS(=O)(=O)C2CCCC2)ccc1F C1CCC(C1)[*:1] N#Cc1cc(ccc1F)NC(=O)CS(=O)(=O)[*:1]
Cc1n[nH]c(C)c1CCOC(=O)[C@@H](C)c1ccc2ccccc2c1 Cc1n[nH]c(C)c1C[*:1] C[C@H](C(=O)OC[*:1])c1ccc2ccccc2c1
Cc1n[nH]c(C)c1CCOC(=O)[C@@H](C)c1ccc2ccccc2c1 Cc1n[nH]c(C)c1[*:1] C[C@H](C(=O)OCC[*:1])c1ccc2ccccc2c1
CCN(CC)c1cc(NC[C@H](O)CO)nc(N)n1 OC[C@@H](O)CN[*:1] CCN(CC)c1cc(nc(N)n1)[*:1]
CCN(CC)c1cc(NC[C@H](O)CO)nc(N)n1 OC[C@@H](O)[*:1] CCN(CC)c1cc(nc(N)n1)NC[*:1]
CCN(CC)c1cc(NC[C@H](O)CO)nc(N)n1 CCN(CC)[*:1] Nc1nc(cc(n1)[*:1])NC[C@H](O)CO
CCN(CC)c1cc(NC[C@H](O)CO)nc(N)n1 OC[C@@H](O)C[*:1] CCN(CC)c1cc(nc(N)n1)N[*:1]
Cc1ccc(C(=O)NCCc2ccc(F)cc2)s1 Cc1ccc(s1)[*:1] O=C(NCCc1ccc(F)cc1)[*:1]
CSc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CSc1ccc(cc1)S(=O)(=O)N(CC(N)=O)[*:1]
CSc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C)cc2)cc1 NC(=O)[*:1] CSc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccc(C)cc1
CSc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C)cc2)cc1 NC(=O)C[*:1] CSc1ccc(cc1)S(=O)(=O)N(c1ccc(C)cc1)[*:1]
COc1cc(F)cc(CNC(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c1 c1ccc(cc1)[*:1] COc1cc(F)cc(c1)CNC(=O)N1C[C@H](O[C@H](C)C1)[*:1]
CC(=O)N1CCC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1 CN(C)C(=O)C[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)N1CCC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1 CN(C)C(=O)[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)C[*:1]
O=C(NC[C@H]1Cc2ccccc2O1)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] O=C(NC[C@H]1Cc2ccccc2O1)C(=O)N[*:1]
CC(C)[C@H](C)C(=O)N1CCNC[C@@H]1C#N CC(C)[C@H](C)[*:1] N#C[C@H]1CNCCN1C(=O)[*:1]
CC(C)[C@H](C)C(=O)N1CCNC[C@@H]1C#N CC(C)[*:1] C[C@H](C(=O)N1CCNC[C@@H]1C#N)[*:1]
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC[NH+]1CCOCC1 CCO[*:1] N#CC1=C(N)OC2CCCC(=O)C=2[C@@H]1c1ccc(OCC[NH+]2CCOCC2)c(c1)[*:1]
CC(C)c1noc(CC[NH2+][C@H](C)C2(C)CC2)n1 CC1(CC1)[*:1] CC(C)c1noc(CC[NH2+][C@H](C)[*:1])n1
CC(C)c1noc(CC[NH2+][C@H](C)C2(C)CC2)n1 CC(C)[*:1] C[C@@H]([NH2+]CCc1nc(no1)[*:1])C1(C)CC1
CC(=O)N(C)c1cccc(NC(=O)C[C@@H](O)c2ccccc2)c1 CC(=O)N(C)[*:1] O=C(C[C@@H](O)c1ccccc1)Nc1cccc(c1)[*:1]
CC(=O)N(C)c1cccc(NC(=O)C[C@@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)C[C@@H](O)[*:1]
O=C(CSCc1ccc(Cl)c2cccnc12)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CSCc1ccc(Cl)c2cccnc12)N[*:1]
CNC(=O)c1cccnc1N1CCC[C@H](c2[nH]cc(-c3ccccc3)[nH+]2)C1 c1ccc(cc1)[*:1] CNC(=O)c1cccnc1N1CCC[C@@H](C1)c1[nH]cc([nH+]1)[*:1]
CNC(=O)c1cccnc1N1CCC[C@H](c2[nH]cc(-c3ccccc3)[nH+]2)C1 CNC(=O)[*:1] c1ccc(cc1)-c1c[nH]c([nH+]1)[C@H]1CCCN(C1)c1ncccc1[*:1]
CC[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2ccc(C)cc2)C1 NC(=O)[*:1] CC[NH2+][C@@]1(CCC[C@@H](C1)Sc1ccc(C)cc1)[*:1]
Cc1ccc(/C=C/S(=O)(=O)NCC(=O)Nc2c(C)cccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CNS(=O)(=O)C=C[*:1]
Cc1ccc(/C=C/S(=O)(=O)NCC(=O)Nc2c(C)cccc2C)cc1 Cc1cccc(C)c1[*:1] Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N[*:1])cc1
COC(=O)[C@@H]1[C@@H]2C(=O)N([C@@H](C)c3ccc(Br)cc3)C[C@]23C=C[C@H]1O3 COC(=O)[*:1] C[C@@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C1=O)[*:1]
COC(=O)[C@@H]1[C@@H]2C(=O)N([C@@H](C)c3ccc(Br)cc3)C[C@]23C=C[C@H]1O3 Brc1ccc(cc1)[*:1] COC(=O)[C@@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[C@@H](C)[*:1]
Cn1cc([C@@H]2C[C@@H](c3ccc4c(c3)OCCO4)Nc3ncnn32)cn1 Cn1cc(cn1)[*:1] c1nc2N[C@@H](C[C@H](n2n1)[*:1])c1ccc2OCCOc2c1
N#Cc1c(NC(=O)CCCc2nc(-c3ccccc3)no2)sc2c1CCCC2 c1ccc(cc1)[*:1] N#Cc1c(NC(=O)CCCc2nc(no2)[*:1])sc2CCCCc21
O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccco1 c1coc(c1)[*:1] O=C(c1ccccc1)[C@H](NC(=O)[*:1])Nc1ccccc1C(F)(F)F
O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(c1ccccc1)[C@@H](Nc1ccccc1C(F)(F)F)[*:1]
O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(=O)[*:1])c1ccco1
O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccco1 O=C(c1ccccc1)[*:1] O=C(N[C@H](Nc1ccccc1C(F)(F)F)[*:1])c1ccco1
O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccco1 FC(F)(F)[*:1] O=C(N[C@H](Nc1ccccc1[*:1])C(=O)c1ccccc1)c1ccco1
O=C1N[C@@H](C(=O)N2CCC(CCN3CCCC3=O)CC2)Cc2ccccc21 O=C1CCCN1CC[*:1] O=C1N[C@H](Cc2ccccc21)C(=O)N1CCC(CC1)[*:1]
O=C1N[C@@H](C(=O)N2CCC(CCN3CCCC3=O)CC2)Cc2ccccc21 O=C1CCCN1[*:1] O=C1N[C@H](Cc2ccccc21)C(=O)N1CCC(CC1)CC[*:1]
O=C1N[C@@H](C(=O)N2CCC(CCN3CCCC3=O)CC2)Cc2ccccc21 O=C1CCCN1C[*:1] O=C1N[C@H](Cc2ccccc21)C(=O)N1CCC(CC1)C[*:1]
CC[C@@H]([NH2+][C@H](C)Cc1cccc(OC)c1)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@@H]([NH2+][C@H](C)Cc1cccc(c1)OC)[*:1]
CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2cccc3ccccc23)NC(=S)N1 Fc1ccc(cc1F)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N[*:1])c1cccc2ccccc12
CCn1c(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)nnc1-c1ccco1 c1ccc(cc1)[*:1] CCn1c(nnc1-c1ccco1)SCC(=O)NN1C(=O)N[C@](C)(C1=O)[*:1]
CCn1c(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)NN1C(=O)N[C@@](C)(C1=O)c1ccccc1
N#CCCN(C(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] N#CCCN(C(=O)CN1CCN(CC1)C(=O)[*:1])c1ccccc1
N#CCCN(C(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 N#CCC[*:1] O=C(c1ccccc1)N1CCN(CC1)CC(=O)N(c1ccccc1)[*:1]
N#CCCN(C(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 N#CC[*:1] O=C(c1ccccc1)N1CCN(CC1)CC(=O)N(C[*:1])c1ccccc1
N#CCCN(C(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] N#CCCN(C(=O)CN1CCN(CC1)C(=O)c1ccccc1)[*:1]
CCOCCN(C)C(=O)C(C)(C)CC CCOC[*:1] CCC(C)(C)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)C(C)(C)CC CCO[*:1] CCC(C)(C)C(=O)N(C)CC[*:1]
C[C@]1(C2CC2)C[NH+]=C(N)N1C[C@@H]1CCCO1 C1CC1[*:1] C[C@@]1(C[NH+]=C(N)N1C[C@@H]1CCCO1)[*:1]
C[C@]1(C2CC2)C[NH+]=C(N)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@]1(C[NH+]=C(N)N1C[*:1])C1CC1
C=CCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(CC)c(=O)n1C C=CC[*:1] CCn1c(=O)c2c(nc3N(N=C(C)[C@H](C)n32)[*:1])n(C)c1=O
O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccncc1 c1cc(ccn1)[*:1] O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1C[*:1]
O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccncc1 Clc1cccc(c1)C[*:1] O=c1c2ncccc2n(c(=O)n1Cc1ccncc1)[*:1]
O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccncc1 c1cc(ccn1)C[*:1] O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1[*:1]
O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccncc1 Clc1cccc(c1)[*:1] O=c1c2ncccc2n(C[*:1])c(=O)n1Cc1ccncc1
N#Cc1cn(C2CCC2)c2ncccc12 C1CC(C1)[*:1] N#Cc1cn(c2ncccc12)[*:1]
O[C@H](c1ccc(C2CC2)cc1)c1ccco1 C1CC1[*:1] O[C@H](c1ccc(cc1)[*:1])c1ccco1
O[C@H](c1ccc(C2CC2)cc1)c1ccco1 c1coc(c1)[*:1] O[C@H](c1ccc(cc1)C1CC1)[*:1]
CN(C)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F CN(C)C(=O)CS[*:1] Fc1ccccc1-n1c(nnc1[*:1])-c1ccccc1Cl
CN(C)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F CN(C)C(=O)[*:1] Fc1ccccc1-n1c(nnc1-c1ccccc1Cl)SC[*:1]
CN(C)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F CN(C)C(=O)C[*:1] Fc1ccccc1-n1c(nnc1-c1ccccc1Cl)S[*:1]
CN(C)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F Clc1ccccc1[*:1] CN(C)C(=O)CSc1nnc(n1-c1ccccc1F)[*:1]
CN(C)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F Fc1ccccc1[*:1] CN(C)C(=O)CSc1nnc(-c2ccccc2Cl)n1[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H](Cc1ccccc1)NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(C)C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C[*:1])C(C)C
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(C)C)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1Cl CC[C@H](C)[*:1] C[C@@H](Oc1ccccc1Cl)C(=O)N[*:1]
CC(C)(C)CC(C)(C)Nc1nc(Br)cs1 CC(C)(C)C[*:1] CC(C)(Nc1nc(Br)cs1)[*:1]
CC(C)(C)CC(C)(C)Nc1nc(Br)cs1 CC(C)(C)[*:1] CC(C)(C[*:1])Nc1nc(Br)cs1
COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)CCn2cccn2)[C@@H]3C1=O COCC[*:1] CN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)CCn2cccn2)[C@@H]3C1=O c1cnn(c1)C[*:1] COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)C[*:1])[C@@H]3C1=O
COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)CCn2cccn2)[C@@H]3C1=O COC[*:1] CN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@@H]13)O2
COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)CCn2cccn2)[C@@H]3C1=O c1cnn(c1)CC[*:1] COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)[*:1])[C@@H]3C1=O
COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)CCn2cccn2)[C@@H]3C1=O c1cnn(c1)[*:1] COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)CC[*:1])[C@@H]3C1=O
CC(=O)Nc1ccc(S(=O)(=O)NCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc2cccnc2n1CCNS(=O)(=O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1 Cc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCn1c(nc2cccnc21)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1 CC(=O)N[*:1] Cc1ccc(cc1)-c1nc2cccnc2n1CCNS(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)C[NH+]2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cc1 CCO[*:1] CC(=O)N1Cc2ccccc2OC2(CC[NH+](CC2)CC(=O)Nc2ccc(cc2)[*:1])C1
CCOc1ccc(NC(=O)C[NH+]2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cc1 CCOc1ccc(cc1)[*:1] CC(=O)N1Cc2ccccc2OC2(CC[NH+](CC2)CC(=O)N[*:1])C1
CS(=O)(=O)[N-]c1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)[N-]c1ccc(cc1)C(=O)/C=C/c1ccc(o1)[*:1]
Cc1noc(C)c1N(C)C(=O)c1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] Cc1noc(C)c1N(C)C(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1N(C)C(=O)c1ccc(-n2cccc2)cc1 Cc1noc(C)c1[*:1] CN(C(=O)c1ccc(cc1)-n1cccc1)[*:1]
C[C@@H]([NH2+]C1C(C)(C)C1(C)C)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H]([NH2+]C1C(C)(C)C1(C)C)C(=O)N[*:1]
COc1ccc(-c2nnc(-c3cc4cccc(OC)c4oc3=O)o2)cc1 COc1ccc(cc1)[*:1] COc1cccc2cc(-c3nnc(o3)[*:1])c(=O)oc12
Cc1ccc(N2C[C@H](NC(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1C NC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)NC(=O)N[*:1]
Cc1ccc(N2C[C@H](NC(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1C NC(=O)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)NC(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(N2C[C@H](NC(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] NC(=O)c1ccc(cc1)NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
Cn1cnc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cn1cnc(CNC(=O)c2ccccc2NC(=O)[*:1])n1
Cc1cc2oc(=O)cc(COC(=O)c3cccc(NC(N)=O)c3)c2cc1Cl NC(=O)N[*:1] Cc1cc2oc(=O)cc(COC(=O)c3cccc(c3)[*:1])c2cc1Cl
CCCCn1nnnc1CN1CCN(c2ccc3nncn3n2)CC1 CCC[*:1] c1cc2nncn2nc1N1CCN(CC1)Cc1nnnn1C[*:1]
CCCCn1nnnc1CN1CCN(c2ccc3nncn3n2)CC1 CCCC[*:1] c1cc2nncn2nc1N1CCN(CC1)Cc1nnnn1[*:1]
CC[C@@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 CC[C@@H](C)OC(=O)[*:1] C[C@H]1CCc2c(C1)sc1ncn(C[*:1])c(=O)c21
CC[C@@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 CC[C@@H](C)[*:1] C[C@H]1CCc2c(C1)sc1ncn(CC(=O)O[*:1])c(=O)c21
Cc1ccc(OCCc2ccsc2)c(C[NH2+]C(C)C)n1 CC(C)[*:1] Cc1ccc(OCCc2ccsc2)c(C[NH2+][*:1])n1
Cc1ccc(OCCc2ccsc2)c(C[NH2+]C(C)C)n1 c1cc(cs1)[*:1] Cc1ccc(OCC[*:1])c(C[NH2+]C(C)C)n1
Cc1ccc(OCCc2ccsc2)c(C[NH2+]C(C)C)n1 c1cc(cs1)C[*:1] Cc1ccc(OC[*:1])c(C[NH2+]C(C)C)n1
c1csc(-c2n[nH]c(-c3cccs3)c2-c2nc3ccccc3[nH]2)c1 c1csc(c1)[*:1] c1csc(c1)-c1[nH]nc(c1-c1nc2ccccc2[nH]1)[*:1]
Cc1cc(C[S@@](=O)CC(=O)NC2CCCCCCC2)on1 Cc1cc(C[*:1])on1 O=C(C[S@](=O)[*:1])NC1CCCCCCC1
Cc1cc(C[S@@](=O)CC(=O)NC2CCCCCCC2)on1 Cc1cc(on1)[*:1] O=C(C[S@](=O)C[*:1])NC1CCCCCCC1
COc1ccc(CCc2nnc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)s2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)CCc1nnc(NC(=O)C2CCN(CC2)C(=O)[*:1])s1
COc1ccc(CCc2nnc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)s2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1nnc(C[*:1])s1)C1CCN(CC1)C(=O)c1ccc(Cl)cc1
COc1ccc(CCc2nnc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)s2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nnc(CC[*:1])s1)C1CCN(CC1)C(=O)c1ccc(Cl)cc1
COc1ccc(CCc2nnc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)s2)cc1 COc1ccc(cc1)CC[*:1] O=C(Nc1nnc(s1)[*:1])C1CCN(CC1)C(=O)c1ccc(Cl)cc1
Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3ccccc3C#N)nc2s1 c1coc(c1)C[*:1] Cc1cc2c(=O)n(c(nc2s1)SCC(=O)Nc1ccccc1C#N)[*:1]
Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3ccccc3C#N)nc2s1 c1coc(c1)[*:1] Cc1cc2c(=O)n(C[*:1])c(nc2s1)SCC(=O)Nc1ccccc1C#N
Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3ccccc3C#N)nc2s1 N#Cc1ccccc1[*:1] Cc1cc2c(=O)n(Cc3ccco3)c(nc2s1)SCC(=O)N[*:1]
O=C(Nc1ccc(-n2ccnc2)nc1)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(Nc1ccc(nc1)-n1ccnc1)c1ccc(cc1)[*:1]
O=C(Nc1ccc(-n2ccnc2)nc1)c1ccc(-n2cnnn2)cc1 c1cn(cn1)[*:1] O=C(Nc1ccc(nc1)[*:1])c1ccc(cc1)-n1cnnn1
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1OC c1cc2OCCOc2cc1[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1OC)C(=O)N1CCC[C@@H]1[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1OC CCN(CC)S(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)N1CCC[C@H]1c1ccc2OCCOc2c1
Cc1ccc(OCCCCNC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1 Cc1ccc(cc1)O[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)NCCCC[*:1]
Cc1ccc(OCCCCNC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1 Cc1ccc(cc1)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)NCCCCO[*:1]
Cc1ccc(OCCCCNC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1 Cc1ccc(cc1)OC[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)NCCC[*:1]
CC(=O)c1ccc(NC(=O)CNC(=O)c2ccccc2C)cc1C CC(=O)[*:1] Cc1ccccc1C(=O)NCC(=O)Nc1ccc(c(C)c1)[*:1]
CC(=O)c1ccc(NC(=O)CNC(=O)c2ccccc2C)cc1C Cc1ccccc1[*:1] CC(=O)c1ccc(cc1C)NC(=O)CNC(=O)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1CCN(C1)C[*:1]
CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1CCN(C1)[*:1]
CCC[C@H](COC)n1c(CCCl)nc2cnccc21 ClCC[*:1] CCC[C@H](COC)n1c(nc2cnccc21)[*:1]
CCC[C@H](COC)n1c(CCCl)nc2cnccc21 COC[*:1] CCC[C@H](n1c(CCCl)nc2cnccc21)[*:1]
CCC[C@H](COC)n1c(CCCl)nc2cnccc21 CCC[*:1] COC[C@H](n1c(CCCl)nc2cnccc21)[*:1]
O=[S@](Cc1nc(-c2ccoc2)no1)Cc1ccc(F)cc1F c1cc(co1)[*:1] O=[S@](Cc1nc(no1)[*:1])Cc1ccc(F)cc1F
CCS[C@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)Cc2c(C)noc2C)C1 Cc1noc(C)c1[*:1] CCS[C@H]1CC[C@H](C1)N(C)C(=O)N[C@@H](C)C[*:1]
CCS[C@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)Cc2c(C)noc2C)C1 CCS[*:1] Cc1noc(C)c1C[C@H](C)NC(=O)N(C)[C@@H]1CC[C@@H](C1)[*:1]
COC(=O)NCCC(=O)N(C)[C@H](C)CC(C)C CC(C)C[*:1] COC(=O)NCCC(=O)N(C)[C@H](C)[*:1]
COC(=O)NCCC(=O)N(C)[C@H](C)CC(C)C COC(=O)N[*:1] CC(C)C[C@@H](C)N(C)C(=O)CC[*:1]
COC(=O)NCCC(=O)N(C)[C@H](C)CC(C)C CC(C)[*:1] COC(=O)NCCC(=O)N(C)[C@H](C)C[*:1]
C[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1[S@@](=O)C1CCCC1 C1CCC(C1)[*:1] C[NH2+][C@H]1c2cc(ccc2C[C@@H]1[S@@](=O)[*:1])OC
O=C(NCCCN1CCOCC1)NCc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(NCCCN1CCOCC1)NC[*:1]
O=C(NCCCN1CCOCC1)NCc1cccc(Br)c1 C1CN(CCO1)C[*:1] O=C(NCC[*:1])NCc1cccc(Br)c1
O=C(NCCCN1CCOCC1)NCc1cccc(Br)c1 C1CN(CCO1)[*:1] O=C(NCCC[*:1])NCc1cccc(Br)c1
Cc1oc2ncn(CC(=O)NCc3cccc(Br)c3)c(=O)c2c1C Brc1cccc(c1)[*:1] Cc1oc2ncn(CC(=O)NC[*:1])c(=O)c2c1C
Cc1oc2ncn(CC(=O)NCc3cccc(Br)c3)c(=O)c2c1C Brc1cccc(c1)C[*:1] Cc1oc2ncn(CC(=O)N[*:1])c(=O)c2c1C
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H](CCC(=O)[O-])[C@@]2(C)O O=C([O-])C[*:1] C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H](C[*:1])[C@@]2(C)O
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H](CCC(=O)[O-])[C@@]2(C)O O=C([O-])CC[*:1] C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H]([C@@]2(C)O)[*:1]
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H](CCC(=O)[O-])[C@@]2(C)O O=C([O-])[*:1] C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H](CC[*:1])[C@@]2(C)O
Cc1ccc(C)c(S(=O)(=O)[C@H](C)C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)S(=O)(=O)[C@H](C)[*:1]
O=C([O-])Cc1csc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 O=C([O-])[*:1] O=C(Nc1nc(cs1)C[*:1])[C@H]1CC(=O)N(C1)C1CC1
O=C([O-])Cc1csc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 O=C([O-])C[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1CC(=O)N(C1)C1CC1
O=C([O-])Cc1csc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 C1CC1[*:1] O=C([O-])Cc1csc(n1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(-n2cc(CNC(=O)N[C@@H]3CCC[C@H]3CO)nn2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1cn(nn1)[*:1])N[C@@H]1CCC[C@H]1CO
C/C(=N\NC(=O)c1cc(C2CC2)[nH]n1)c1ccncc1 C1CC1[*:1] C/C(=N\NC(=O)c1cc([nH]n1)[*:1])c1ccncc1
C/C(=N\NC(=O)c1cc(C2CC2)[nH]n1)c1ccncc1 c1cc(ccn1)[*:1] CC(=NNC(=O)c1cc([nH]n1)C1CC1)[*:1]
CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[*:1]
CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccccc1 CC(C)(C)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)C(=O)N[C@@H](c1ccccc1)[*:1]
O=C([C@H]1COc2ccccc2O1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 c1ccc(C[*:1])nc1 O=C([C@H]1COc2ccccc2O1)N(c1nc2c(F)cc(F)cc2s1)[*:1]
O=C([C@H]1COc2ccccc2O1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 c1ccc(nc1)[*:1] O=C([C@H]1COc2ccccc2O1)N(C[*:1])c1nc2c(F)cc(F)cc2s1
Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCC[NH2+]2)o1 Cc1ccc(o1)[*:1] C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+][C@@H](C)[*:1]
O=C(/C=C1/Sc2ccccc2N(Cc2ccccc2F)C1=O)NCc1ccc2c(c1)OCO2 Fc1ccccc1C[*:1] O=C(/C=C1/Sc2ccccc2N(C1=O)[*:1])NCc1ccc2OCOc2c1
O=C(/C=C1/Sc2ccccc2N(Cc2ccccc2F)C1=O)NCc1ccc2c(c1)OCO2 Fc1ccccc1[*:1] O=C(/C=C1/Sc2ccccc2N(C[*:1])C1=O)NCc1ccc2OCOc2c1
O=C(/C=C1/Sc2ccccc2N(Cc2ccccc2F)C1=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C(/C=C1/Sc2ccccc2N(Cc2ccccc2F)C1=O)N[*:1]
O=C(/C=C1/Sc2ccccc2N(Cc2ccccc2F)C1=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(/C=C1/Sc2ccccc2N(Cc2ccccc2F)C1=O)NC[*:1]
O=C(NC[C@H]1COCCO1)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1 C1CC1[*:1] O=C(NC[C@H]1COCCO1)c1cnn(-c2nccc(n2)-c2ccccc2C(F)(F)F)c1[*:1]
O=C(NC[C@H]1COCCO1)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1 FC(F)(F)c1ccccc1[*:1] O=C(NC[C@H]1COCCO1)c1cnn(-c2nccc(n2)[*:1])c1C1CC1
O=C(NC[C@H]1COCCO1)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1 FC(F)(F)[*:1] O=C(NC[C@H]1COCCO1)c1cnn(-c2nccc(n2)-c2ccccc2[*:1])c1C1CC1
COCc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 COC[*:1] N#C[C@H](NC(=O)c1cccc(c1)[*:1])c1ccc(Cl)c(Cl)c1
COc1ccccc1C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)N[*:1] COc1ccccc1C(=O)N1CCC(CC1)C[*:1]
COc1ccccc1C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] COc1ccccc1C(=O)N1CCC(CC1)CNC(=O)O[*:1]
COc1ccccc1C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 COc1ccccc1[*:1] CC(C)(C)OC(=O)NCC1CCN(CC1)C(=O)[*:1]
Cn1c(=O)oc2cc(NC(=O)NCCC(=O)NC3CCCCC3)ccc21 C1CCC(CC1)[*:1] Cn1c(=O)oc2cc(ccc21)NC(=O)NCCC(=O)N[*:1]
COc1ccc([C@H]2CCCN2S(=O)(=O)c2cccnc2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)[C@H]1CCCN1S(=O)(=O)[*:1]
CCC1(c2[nH+]n(-c3ccccc3)c(N)c2C)CCCC1 c1ccc(cc1)[*:1] CCC1(CCCC1)c1[nH+]n(c(N)c1C)[*:1]
CCn1cnnc1CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 CCn1cnnc1[*:1] O=C(NC[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
CCn1cnnc1CNC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 CCn1cnnc1C[*:1] O=C(N[*:1])N1CCC[C@H]1c1nc2ccccc2[nH]1
COC(=O)[C@H]1CCCC[C@H]1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 COC(=O)[*:1] O=C(CCC(=O)c1ccc2CCCc2c1)N[C@@H]1CCCC[C@@H]1[*:1]
NC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2ccccc2F)cc1F NC(=O)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])c1c[nH]nc1-c1ccccc1F
NC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2ccccc2F)cc1F Fc1ccccc1[*:1] NC(=O)c1ccc(cc1F)NC(=O)c1c[nH]nc1[*:1]
C[S@](=O)c1ccc(NC(=O)N(CCO)[C@@H]2CCc3ccccc32)cc1 OCC[*:1] C[S@](=O)c1ccc(cc1)NC(=O)N([C@@H]1CCc2ccccc21)[*:1]
C[S@](=O)c1ccc(NC(=O)N(CCO)[C@@H]2CCc3ccccc32)cc1 C[S@](=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N(CCO)[C@@H]1CCc2ccccc21
O=C(N[C@H]1CC[NH2+]C1)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(N[C@H]1CC[NH2+]C1)c1cnn(c1)[*:1]
O=C(c1ccco1)N1CCN(C(=O)c2[nH]nc(C3CC3)c2Cl)CC1 C1CC1[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)c1[nH]nc(c1Cl)[*:1]
O=C(c1ccco1)N1CCN(C(=O)c2[nH]nc(C3CC3)c2Cl)CC1 c1coc(c1)[*:1] O=C(c1[nH]nc(c1Cl)C1CC1)N1CCN(CC1)C(=O)[*:1]
C[C@@]1(C(=O)NCCCCn2cnnc2)CCCN(C(=O)c2ccccc2)C1 c1nncn1[*:1] C[C@]1(CCCN(C1)C(=O)c1ccccc1)C(=O)NCCCC[*:1]
C[C@@]1(C(=O)NCCCCn2cnnc2)CCCN(C(=O)c2ccccc2)C1 c1nncn1CCCC[*:1] C[C@]1(CCCN(C1)C(=O)c1ccccc1)C(=O)N[*:1]
C[C@@]1(C(=O)NCCCCn2cnnc2)CCCN(C(=O)c2ccccc2)C1 c1nncn1CCC[*:1] C[C@]1(CCCN(C1)C(=O)c1ccccc1)C(=O)NC[*:1]
C[C@@]1(C(=O)NCCCCn2cnnc2)CCCN(C(=O)c2ccccc2)C1 c1nncn1CC[*:1] C[C@]1(CCCN(C1)C(=O)c1ccccc1)C(=O)NCC[*:1]
C[C@@]1(C(=O)NCCCCn2cnnc2)CCCN(C(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@]1(CCCN(C1)C(=O)[*:1])C(=O)NCCCCn1cnnc1
C[C@@]1(C(=O)NCCCCn2cnnc2)CCCN(C(=O)c2ccccc2)C1 c1nncn1C[*:1] C[C@]1(CCCN(C1)C(=O)c1ccccc1)C(=O)NCCC[*:1]
CCn1nnc2cc(-c3noc(-c4ccc(NC(=O)c5ccco5)cc4)n3)ccc21 O=C(N[*:1])c1ccco1 CCn1nnc2cc(ccc21)-c1noc(n1)-c1ccc(cc1)[*:1]
CCn1nnc2cc(-c3noc(-c4ccc(NC(=O)c5ccco5)cc4)n3)ccc21 c1coc(c1)[*:1] CCn1nnc2cc(ccc21)-c1noc(n1)-c1ccc(cc1)NC(=O)[*:1]
CC(=O)c1cc2c(cc1OC(=O)[C@H](C)c1c(C)noc1C)CCCC2 Cc1noc(C)c1[*:1] CC(=O)c1cc2CCCCc2cc1OC(=O)[C@H](C)[*:1]
CC(=O)c1cc2c(cc1OC(=O)[C@H](C)c1c(C)noc1C)CCCC2 CC(=O)[*:1] Cc1noc(C)c1[C@@H](C)C(=O)Oc1cc2CCCCc2cc1[*:1]
Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)sc2nc(Cc3ccccc3)[nH]c(=O)c12 c1ccc(cc1)[*:1] Cc1c(sc2nc(C[*:1])[nH]c(=O)c12)C(=O)NC[C@@H](c1ccco1)[NH+](C)C
Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)sc2nc(Cc3ccccc3)[nH]c(=O)c12 c1ccc(cc1)C[*:1] Cc1c(sc2nc([nH]c(=O)c12)[*:1])C(=O)NC[C@@H](c1ccco1)[NH+](C)C
Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)sc2nc(Cc3ccccc3)[nH]c(=O)c12 c1coc(c1)[*:1] Cc1c(sc2nc(Cc3ccccc3)[nH]c(=O)c12)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CC(C)c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n[nH]1 CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c[nH+]1)CNC(=O)c1cc([nH]n1)[*:1]
CC(C)c1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n[nH]1 CC(C)c1cc(n[nH]1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c[nH+]1)CNC(=O)[*:1]
CC(C)OC(=O)c1c(NC(=O)c2ccc(OC(F)F)cc2)sc2c1CCCC2 FC(F)O[*:1] CC(C)OC(=O)c1c(NC(=O)c2ccc(cc2)[*:1])sc2CCCCc21
CC(C)OC(=O)c1c(NC(=O)c2ccc(OC(F)F)cc2)sc2c1CCCC2 CC(C)[*:1] O=C(Nc1sc2CCCCc2c1C(=O)O[*:1])c1ccc(cc1)OC(F)F
CC(C)OC(=O)c1c(NC(=O)c2ccc(OC(F)F)cc2)sc2c1CCCC2 FC(F)[*:1] CC(C)OC(=O)c1c(NC(=O)c2ccc(cc2)O[*:1])sc2CCCCc21
CC(C)OC(=O)c1c(NC(=O)c2ccc(OC(F)F)cc2)sc2c1CCCC2 CC(C)OC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])c1ccc(cc1)OC(F)F
CCOc1ccc(OCC(=O)N2CCCc3cc(OC)ccc32)cc1 CCO[*:1] COc1ccc2c(c1)CCCN2C(=O)COc1ccc(cc1)[*:1]
O=C(C[C@@H]1C=CCC1)NCc1ccc(C(=O)[O-])o1 O=C([O-])[*:1] O=C(C[C@@H]1C=CCC1)NCc1ccc(o1)[*:1]
CCc1cnc(N2CCC([NH+](C)CCO)CC2)nc1 OCC[*:1] CCc1cnc(nc1)N1CCC(CC1)[NH+](C)[*:1]
CCC[C@H](CS)CSCc1ccco1 CCC[*:1] SC[C@H](CSCc1ccco1)[*:1]
COc1cc(CC(=O)N[C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cc(OC)c1OC Cc1cc(C)cc(c1)[*:1] COc1cc(cc(OC)c1OC)CC(=O)N[C@H]1CCCc2c1cnn2[*:1]
CN(C)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 CN(C)[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(cc1)[*:1]
COCCNC(=O)c1ccc(N2CCC[C@@H]2C2CCCC2)nc1 COC[*:1] O=C(NC[*:1])c1ccc(nc1)N1CCC[C@@H]1C1CCCC1
COCCNC(=O)c1ccc(N2CCC[C@@H]2C2CCCC2)nc1 COCCNC(=O)[*:1] c1cc(ncc1[*:1])N1CCC[C@@H]1C1CCCC1
COCCNC(=O)c1ccc(N2CCC[C@@H]2C2CCCC2)nc1 COCC[*:1] O=C(N[*:1])c1ccc(nc1)N1CCC[C@@H]1C1CCCC1
COCCNC(=O)c1ccc(N2CCC[C@@H]2C2CCCC2)nc1 C1CCC(C1)[*:1] COCCNC(=O)c1ccc(nc1)N1CCC[C@H]1[*:1]
Cc1ncccc1O[C@H](C)C[NH2+]CC(C)C CC(C)C[*:1] Cc1ncccc1O[C@H](C)C[NH2+][*:1]
Cc1ncccc1O[C@H](C)C[NH2+]CC(C)C CC(C)[*:1] Cc1ncccc1O[C@H](C)C[NH2+]C[*:1]
COc1ccc2oc(C=C[NH+](C)C)c(C(=O)c3ccc(Br)cc3)c2c1 Brc1ccc(cc1)[*:1] COc1ccc2oc(C=C[NH+](C)C)c(C(=O)[*:1])c2c1
Cn1cccc1Cc1nnc(SCC(N)=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cn1cccc1Cc1nnc(SCC(N)=O)n1C[*:1]
Cn1cccc1Cc1nnc(SCC(N)=O)n1Cc1ccccc1 Cn1cccc1[*:1] NC(=O)CSc1nnc(C[*:1])n1Cc1ccccc1
Cn1cccc1Cc1nnc(SCC(N)=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1cccc1Cc1nnc(SCC(N)=O)n1[*:1]
Cn1cccc1Cc1nnc(SCC(N)=O)n1Cc1ccccc1 Cn1cccc1C[*:1] NC(=O)CSc1nnc(n1Cc1ccccc1)[*:1]
Cn1cccc1Cc1nnc(SCC(N)=O)n1Cc1ccccc1 NC(=O)C[*:1] Cn1cccc1Cc1nnc(S[*:1])n1Cc1ccccc1
Cn1cccc1Cc1nnc(SCC(N)=O)n1Cc1ccccc1 NC(=O)CS[*:1] Cn1cccc1Cc1nnc(n1Cc1ccccc1)[*:1]
Cn1cccc1Cc1nnc(SCC(N)=O)n1Cc1ccccc1 NC(=O)[*:1] Cn1cccc1Cc1nnc(SC[*:1])n1Cc1ccccc1
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2onc3c2CCCC3)cc1 CN(C)S(=O)(=O)[*:1] O=C(Nc1onc2CCCCc21)c1ccc(cc1)[*:1]
COc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1 COc1cccc(c1)[*:1] Cc1cccc(n1)NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
COc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1 Cc1cccc(n1)[*:1] COc1cccc(c1)NC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CO[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] CO[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc2nc(oc2c1)[*:1]
O=C(CC1CCCC1)NCc1c(-c2ccccc2)nc2n1CCS2 C1CCC(C1)[*:1] O=C(C[*:1])NCc1c(nc2SCCn21)-c1ccccc1
O=C(CC1CCCC1)NCc1c(-c2ccccc2)nc2n1CCS2 C1CCC(C1)C[*:1] O=C(NCc1c(nc2SCCn21)-c1ccccc1)[*:1]
O=C(CC1CCCC1)NCc1c(-c2ccccc2)nc2n1CCS2 c1ccc(cc1)[*:1] O=C(CC1CCCC1)NCc1c(nc2SCCn21)[*:1]
C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N[*:1]
C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1cccc(Cl)c1Cl c1ccc2sc(nc2c1)[*:1] C[C@@H](OC(=O)CC[*:1])C(=O)Nc1cccc(Cl)c1Cl
O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(OC(F)F)cc1 FC(F)(F)[*:1] O=C(N[C@H]1CCN(C1=O)c1cccc(c1)O[*:1])c1ccc(cc1)OC(F)F
O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(N[C@H]1CCN(C1=O)c1cccc(c1)OC(F)(F)F)c1ccc(cc1)O[*:1]
O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(N[C@H]1CCN(C1=O)c1cccc(c1)OC(F)(F)F)c1ccc(cc1)[*:1]
O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(OC(F)F)cc1 FC(F)Oc1ccc(cc1)[*:1] O=C1[C@H](CCN1c1cccc(c1)OC(F)(F)F)NC(=O)[*:1]
O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(OC(F)F)cc1 FC(F)(F)O[*:1] O=C(N[C@H]1CCN(C1=O)c1cccc(c1)[*:1])c1ccc(cc1)OC(F)F
Cc1cc(F)ccc1CCNC(=O)NC1CCN(C(=O)c2ccoc2)CC1 Cc1cc(F)ccc1C[*:1] O=C(NC[*:1])NC1CCN(CC1)C(=O)c1ccoc1
Cc1cc(F)ccc1CCNC(=O)NC1CCN(C(=O)c2ccoc2)CC1 Cc1cc(F)ccc1[*:1] O=C(NCC[*:1])NC1CCN(CC1)C(=O)c1ccoc1
Cc1cc(F)ccc1CCNC(=O)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] Cc1cc(F)ccc1CCNC(=O)NC1CCN(CC1)C(=O)[*:1]
CC[NH+]1CCN([C@H](C)C(=O)Nc2cc(C)on2)CC1 Cc1cc(no1)[*:1] CC[NH+]1CCN(CC1)[C@H](C)C(=O)N[*:1]
Cc1nc2[nH]c(Cc3ccccc3)cc(=O)n2n1 c1ccc(cc1)[*:1] Cc1nc2[nH]c(cc(=O)n2n1)C[*:1]
Cc1ccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Cl)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)N[*:1]
Cc1ccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Cl)c2)c(C)c1 Clc1cccc(c1)[*:1] Cc1ccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2[*:1])c(C)c1
CC[C@H](C#N)OC(=O)c1ccc2c([O-])n(C)c(=S)nc2c1 CC[C@H](C#N)[*:1] Cn1c([O-])c2ccc(cc2nc1=S)C(=O)O[*:1]
CC(C)c1nn2c(N)c(C#N)cnc2c1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)c1nn2c(N)c(C#N)cnc2c1[*:1]
CC(C)c1nn2c(N)c(C#N)cnc2c1-c1ccc(Br)cc1 CC(C)[*:1] N#Cc1cnc2c(-c3ccc(Br)cc3)c(nn2c1N)[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N2CC[NH+](CC(C)C)CC2)c1 CC(C)C[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N1CC[NH+](CC1)[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N2CC[NH+](CC(C)C)CC2)c1 CC(C)[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N1CC[NH+](CC1)C[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N2CC[NH+](CC(C)C)CC2)c1 CN(C)C(=O)N[*:1] Cc1ccc(c(c1)C(=O)N1CC[NH+](CC1)CC(C)C)[*:1]
CC[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1SC1CCCCC1 C1CCC(CC1)[*:1] CC[NH2+][C@H]1c2cc(ccc2C[C@H]1S[*:1])OC
CC[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1SC1CCCCC1 C1CCC(CC1)S[*:1] CC[NH2+][C@H]1c2cc(ccc2C[C@@H]1[*:1])OC
Cc1cccnc1Nc1ccc([C@H]2CCCN(S(=O)(=O)CCc3ccccc3)C2)nc1 c1ccc(cc1)C[*:1] Cc1cccnc1Nc1ccc(nc1)[C@H]1CCCN(C1)S(=O)(=O)C[*:1]
Cc1cccnc1Nc1ccc([C@H]2CCCN(S(=O)(=O)CCc3ccccc3)C2)nc1 c1ccc(cc1)[*:1] Cc1cccnc1Nc1ccc(nc1)[C@H]1CCCN(C1)S(=O)(=O)CC[*:1]
Cc1cccnc1Nc1ccc([C@H]2CCCN(S(=O)(=O)CCc3ccccc3)C2)nc1 Cc1cccnc1[*:1] O=S(=O)(CCc1ccccc1)N1CCC[C@@H](C1)c1ccc(cn1)N[*:1]
Cc1cccnc1Nc1ccc([C@H]2CCCN(S(=O)(=O)CCc3ccccc3)C2)nc1 c1ccc(cc1)CC[*:1] Cc1cccnc1Nc1ccc(nc1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cccnc1Nc1ccc([C@H]2CCCN(S(=O)(=O)CCc3ccccc3)C2)nc1 Cc1cccnc1N[*:1] O=S(=O)(CCc1ccccc1)N1CCC[C@@H](C1)c1ccc(cn1)[*:1]
Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)n1Cc1ccco1 c1coc(c1)C[*:1] Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)n1[*:1]
Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)n1Cc1ccco1 c1coc(c1)[*:1] Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)n1C[*:1]
Cc1nn(-c2ccccc2)c2c1[C@H](c1c[nH]c3ccccc13)S2 c1ccc(cc1)[*:1] Cc1nn(c2S[C@H](c12)c1c[nH]c2ccccc12)[*:1]
COc1ccccc1CNC(=O)CN1C[C@H](C)OC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1CNC(=O)CN1C[C@H](C)OC[C@@H]1[*:1]
COc1ccccc1CNC(=O)CN1C[C@H](C)OC[C@H]1c1ccccc1 COc1ccccc1[*:1] C[C@H]1CN(CC(=O)NC[*:1])[C@@H](CO1)c1ccccc1
CC(C)(C)n1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cn1 CC(C)(C)[*:1] O=C(c1cnn(c1)[*:1])N1CCO[C@H]2CCCC[C@@H]21
Cc1ccc(Cl)c(NC(=S)N(Cc2ccncc2)Cc2ccco2)c1 c1coc(c1)C[*:1] Cc1ccc(Cl)c(c1)NC(=S)N(Cc1ccncc1)[*:1]
Cc1ccc(Cl)c(NC(=S)N(Cc2ccncc2)Cc2ccco2)c1 c1cc(ccn1)C[*:1] Cc1ccc(Cl)c(c1)NC(=S)N(Cc1ccco1)[*:1]
Cc1ccc(Cl)c(NC(=S)N(Cc2ccncc2)Cc2ccco2)c1 Cc1ccc(Cl)c(c1)[*:1] S=C(N[*:1])N(Cc1ccncc1)Cc1ccco1
Cc1ccc(Cl)c(NC(=S)N(Cc2ccncc2)Cc2ccco2)c1 c1coc(c1)[*:1] Cc1ccc(Cl)c(c1)NC(=S)N(Cc1ccncc1)C[*:1]
Cc1ccc(Cl)c(NC(=S)N(Cc2ccncc2)Cc2ccco2)c1 c1cc(ccn1)[*:1] Cc1ccc(Cl)c(c1)NC(=S)N(Cc1ccco1)C[*:1]
CCOc1cccc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 c1ccc(cc1)C[*:1] CCOc1cccc(c1)C(=O)Nc1cccn(c1=O)[*:1]
CCOc1cccc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)C(=O)Nc1cccn(C[*:1])c1=O
CCOc1cccc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 CCO[*:1] O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cccc(c1)[*:1]
CCC1CCC(N(C(=O)c2csc(-c3cccs3)n2)C2CC2)CC1 CCC1CCC(CC1)[*:1] O=C(c1csc(n1)-c1cccs1)N(C1CC1)[*:1]
CCC1CCC(N(C(=O)c2csc(-c3cccs3)n2)C2CC2)CC1 c1csc(c1)[*:1] CCC1CCC(CC1)N(C(=O)c1csc(n1)[*:1])C1CC1
CCC1CCC(N(C(=O)c2csc(-c3cccs3)n2)C2CC2)CC1 C1CC1[*:1] CCC1CCC(CC1)N(C(=O)c1csc(n1)-c1cccs1)[*:1]
O=C(Cc1cccs1)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 c1csc(c1)C[*:1] O=C1[C@@H]2CCCCN2C(=O)c2ccccc2N1C(=O)[*:1]
O=C(Cc1cccs1)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 c1csc(c1)[*:1] O=C(C[*:1])N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21
C[C@H](O)CN(C)C(=O)NCCc1ccc(C(C)(C)C)cc1 C[C@H](O)[*:1] CN(C[*:1])C(=O)NCCc1ccc(cc1)C(C)(C)C
C[C@H](O)CN(C)C(=O)NCCc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](O)CN(C)C(=O)NCCc1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2c3c(nc(N4[C@@H](C)CCC[C@H]4C)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 CCO[*:1] C[C@H]1CCC[C@@H](C)N1c1nc2NC(=O)[C@@H](C#N)[C@H](c3ccc(cc3)[*:1])c2c(=O)[nH]1
CCOc1ccc([C@@H]2c3c(nc(N4[C@@H](C)CCC[C@H]4C)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 CCOc1ccc(cc1)[*:1] C[C@H]1CCC[C@@H](C)N1c1nc2NC(=O)[C@@H](C#N)[C@@H](c2c(=O)[nH]1)[*:1]
CC[C@H](C)NC(=O)[C@]1(C)Oc2ccccc2N(CC)C1=O CC[C@H](C)[*:1] CCN1C(=O)[C@@](C)(Oc2ccccc21)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@]1(C)Oc2ccccc2N(CC)C1=O CC[C@H](C)NC(=O)[*:1] CCN1C(=O)[C@](C)(Oc2ccccc21)[*:1]
COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2OC)c1 COc1ccccc1[*:1] COc1cccc(c1)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)[*:1]
COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2OC)c1 COc1cccc(c1)[*:1] COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)[*:1]
CCN(CCC(=O)NC1CC1)C(=O)c1ccoc1C O=C(NC1CC1)[*:1] CCN(CC[*:1])C(=O)c1ccoc1C
CCN(CCC(=O)NC1CC1)C(=O)c1ccoc1C C1CC1[*:1] CCN(CCC(=O)N[*:1])C(=O)c1ccoc1C
CCN(CCC(=O)NC1CC1)C(=O)c1ccoc1C Cc1occc1[*:1] CCN(CCC(=O)NC1CC1)C(=O)[*:1]
O=C(CCOC1CCOCC1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 C1CC(CCO1)[*:1] O=C(CCO[*:1])Nc1cccc(c1)-c1nc2ccccc2[nH]1
O=C(CCOC1CCOCC1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 C1CC(CCO1)OC[*:1] O=C(C[*:1])Nc1cccc(c1)-c1nc2ccccc2[nH]1
O=C(CCOC1CCOCC1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 C1CC(CCO1)O[*:1] O=C(CC[*:1])Nc1cccc(c1)-c1nc2ccccc2[nH]1
O=C(CCOC1CCOCC1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 c1ccc2[nH]c(nc2c1)[*:1] O=C(CCOC1CCOCC1)Nc1cccc(c1)[*:1]
O=C(CCOC1CCOCC1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 C1CC(CCO1)OCC[*:1] O=C(Nc1cccc(c1)-c1nc2ccccc2[nH]1)[*:1]
COCCCN1Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc2O[C@@H](C)C1=O COC[*:1] C[C@@H]1Oc2ccc(cc2CN(CC[*:1])C1=O)NC(=O)Nc1cccc(Cl)c1
COCCCN1Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc2O[C@@H](C)C1=O COCCC[*:1] C[C@@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)Nc1cccc(Cl)c1
COCCCN1Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc2O[C@@H](C)C1=O COCC[*:1] C[C@@H]1Oc2ccc(cc2CN(C[*:1])C1=O)NC(=O)Nc1cccc(Cl)c1
COCCCN1Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc2O[C@@H](C)C1=O Clc1cccc(c1)[*:1] COCCCN1Cc2cc(ccc2O[C@@H](C)C1=O)NC(=O)N[*:1]
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccccc2)cc1 COC(=O)[*:1] CC1NC(=O)N[C@@H](C=1[*:1])c1ccc(cc1)-c1ccccc1
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(cc1)[*:1]
CN(CCN1CCCC1=O)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F CC(C)(C)C(=O)N[*:1] CN(CCN1CCCC1=O)C(=O)c1cc(ccc1F)[*:1]
CN(CCN1CCCC1=O)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F CC(C)(C)[*:1] CN(CCN1CCCC1=O)C(=O)c1cc(ccc1F)NC(=O)[*:1]
CN(CCN1CCCC1=O)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F O=C1CCCN1[*:1] CN(CC[*:1])C(=O)c1cc(ccc1F)NC(=O)C(C)(C)C
CN(CCN1CCCC1=O)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F O=C1CCCN1C[*:1] CN(C[*:1])C(=O)c1cc(ccc1F)NC(=O)C(C)(C)C
CN(CCN1CCCC1=O)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F O=C1CCCN1CC[*:1] CN(C(=O)c1cc(ccc1F)NC(=O)C(C)(C)C)[*:1]
CC(=O)Nc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1F CC(=O)N[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)c1ccc(F)c(c1)[*:1]
CC(=O)Nc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1F O=[N+]([O-])[*:1] CC(=O)Nc1cc(ccc1F)C(=O)Nc1cccc(c1C)[*:1]
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(Br)cc2)n2nnnc2N1 Cc1cccc(c1)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)N[*:1])c1ccc(Br)cc1
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(Br)cc2)n2nnnc2N1 Brc1ccc(cc1)[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)Nc1cccc(C)c1)[*:1]
COc1ccc(F)cc1NC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 COc1ccc(F)cc1[*:1] C[C@H](NC(=O)N[*:1])c1cccc(c1)N1CCCC1=O
COc1ccc(F)cc1NC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] COc1ccc(F)cc1NC(=O)N[C@@H](C)c1cccc(c1)[*:1]
CN1CC[NH+](CCCNCC2=c3ccccc3=[NH+][C@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] CN1CC[NH+](CCCNCC2=c3ccccc3=[NH+][C@@H]2[*:1])CC1
C[S@](=O)c1ccc(NC(=O)NCc2ccnc(OC(C)(C)C)c2)cc1F CC(C)(C)O[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)NCc1ccnc(c1)[*:1]
C[S@](=O)c1ccc(NC(=O)NCc2ccnc(OC(C)(C)C)c2)cc1F CC(C)(C)[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)NCc1ccnc(c1)O[*:1]
O=C(c1sc2ccccc2c1[C@@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 c1ccc(cc1)C[*:1] O=C(c1sc2ccccc2c1[C@@H]1CCN(C1)[*:1])N1CCOCC1
O=C(c1sc2ccccc2c1[C@@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 O=C(N1CCOCC1)[*:1] c1ccc(cc1)CN1CC[C@H](C1)c1c(sc2ccccc12)[*:1]
O=C(c1sc2ccccc2c1[C@@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(c1sc2ccccc2c1[C@@H]1CCN(C1)C[*:1])N1CCOCC1
COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N(C)c2cccc(C)c2)c1=O Cc1cccc(c1)[*:1] COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N(C)[*:1])c1=O
COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N(C)c2cccc(C)c2)c1=O COc1ccccc1C[*:1] Cc1cccc(c1)N(C)C(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N(C)c2cccc(C)c2)c1=O COc1ccccc1[*:1] Cc1cccc(c1)N(C)C(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
CC[C@H](C)NC(=O)[C@@H](C)N1CCN(CCOC)C(=O)C1 COCC[*:1] CC[C@H](C)NC(=O)[C@@H](C)N1CCN(C(=O)C1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)N1CCN(CCOC)C(=O)C1 CC[C@H](C)[*:1] COCCN1CCN(CC1=O)[C@H](C)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@@H](C)N1CCN(CCOC)C(=O)C1 COC[*:1] CC[C@H](C)NC(=O)[C@@H](C)N1CCN(C[*:1])C(=O)C1
CC(C)NC(=O)N1CCN([C@H](C)C(=O)Nc2ncccn2)CC1 c1cnc(nc1)[*:1] CC(C)NC(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
CC(C)NC(=O)N1CCN([C@H](C)C(=O)Nc2ncccn2)CC1 CC(C)[*:1] C[C@H](C(=O)Nc1ncccn1)N1CCN(CC1)C(=O)N[*:1]
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCCc2cccc(Cl)c2)C1 Clc1cccc(c1)C[*:1] CC(C)CNC(=O)N1CCC[C@H](CC(=O)NC[*:1])C1
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCCc2cccc(Cl)c2)C1 CC(C)C[*:1] O=C(C[C@H]1CCCN(C1)C(=O)N[*:1])NCCc1cccc(Cl)c1
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCCc2cccc(Cl)c2)C1 CC(C)[*:1] O=C(C[C@H]1CCCN(C1)C(=O)NC[*:1])NCCc1cccc(Cl)c1
CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCCc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCC[*:1])C1
CC[C@@H]1CCC[C@H](NC(=O)CNC(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@@H]1CCC[C@@H](C1)NC(=O)CNC(=O)[*:1]
Cc1cc(C)cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)o1 Cc1ccc(C[*:1])o1 O=C(N[*:1])[C@@H]1CCCN(C1)c1nc2ccccc2[nH]c1=O
Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)o1 Cc1ccc(o1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nc2ccccc2[nH]c1=O
Cc1cc(Cl)ccc1OCC[NH2+][C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1OCC[NH2+][C@@H](C)[*:1]
O=c1[nH]nc(CCCNc2nccc(Oc3ccc(F)cc3)n2)[nH]1 Fc1ccc(cc1)[*:1] O=c1[nH]nc(CCCNc2nccc(n2)O[*:1])[nH]1
O=c1[nH]nc(CCCNc2nccc(Oc3ccc(F)cc3)n2)[nH]1 O=c1[nH]nc(CC[*:1])[nH]1 Fc1ccc(cc1)Oc1ccnc(n1)NC[*:1]
O=c1[nH]nc(CCCNc2nccc(Oc3ccc(F)cc3)n2)[nH]1 Fc1ccc(cc1)O[*:1] O=c1[nH]nc(CCCNc2nccc(n2)[*:1])[nH]1
O=c1[nH]nc(CCCNc2nccc(Oc3ccc(F)cc3)n2)[nH]1 O=c1[nH]nc([nH]1)[*:1] Fc1ccc(cc1)Oc1ccnc(n1)NCCC[*:1]
O=c1[nH]nc(CCCNc2nccc(Oc3ccc(F)cc3)n2)[nH]1 O=c1[nH]nc(C[*:1])[nH]1 Fc1ccc(cc1)Oc1ccnc(n1)NCC[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cnc2cc([N+](=O)[O-])ccc2n1 O=[N+]([O-])[*:1] C[C@@H]1CN(CCN1c1cnc2cc(ccc2n1)[*:1])C(=O)OC(C)(C)C
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cnc2cc([N+](=O)[O-])ccc2n1 CC(C)(C)[*:1] C[C@@H]1CN(CCN1c1cnc2cc(ccc2n1)[N+](=O)[O-])C(=O)O[*:1]
Cc1cnc(C(=O)NCC2(c3ccc(F)cc3F)CC2)cn1 Cc1cnc(cn1)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1F)[*:1]
O=C(NCCCO)N[C@H](c1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NCCCO)N[C@H](c1ccccc1)[*:1]
O=C(NCCCO)N[C@H](c1ccccc1)C1CCCCC1 OCCC[*:1] O=C(N[C@H](c1ccccc1)C1CCCCC1)N[*:1]
O=C(NCCCO)N[C@H](c1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] O=C(NCCCO)N[C@H](C1CCCCC1)[*:1]
O=C(NCCCO)N[C@H](c1ccccc1)C1CCCCC1 OCC[*:1] O=C(NC[*:1])N[C@H](c1ccccc1)C1CCCCC1
Cc1nnc2n1CCC[C@@H]2NC(=O)NCc1cccc(OCC(C)C)c1 CC(C)C[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)NCc1cccc(c1)O[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)NCc1cccc(OCC(C)C)c1 CC(C)CO[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)NCc1cccc(c1)[*:1]
Cc1nnc2n1CCC[C@@H]2NC(=O)NCc1cccc(OCC(C)C)c1 CC(C)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)NCc1cccc(c1)OC[*:1]
O=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(Cn1cnc(c1)S(=O)(=O)N1CCOCC1)N[*:1]
Cc1cncc(C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)C(=O)O[C@H](C(=O)Nc1ccccc1)[*:1]
Cc1cncc(C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 Cc1cncc(c1)[*:1] O=C(Nc1ccccc1)[C@@H](OC(=O)[*:1])c1ccccc1
Cc1cncc(C(=O)O[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cncc(c1)C(=O)O[C@H](C(=O)N[*:1])c1ccccc1
CCOCC[NH2+][C@@H]1CCOC2(CCSCC2)C1 CCOC[*:1] C1C[C@H](CC2(CCSCC2)O1)[NH2+]C[*:1]
CCOCC[NH2+][C@@H]1CCOC2(CCSCC2)C1 CCOCC[*:1] C1C[C@H](CC2(CCSCC2)O1)[NH2+][*:1]
CCOCC[NH2+][C@@H]1CCOC2(CCSCC2)C1 CCO[*:1] C(C[*:1])[NH2+][C@@H]1CCOC2(CCSCC2)C1
Cc1cc(C)n(CCCNC(=O)[C@H](C)NC(=O)c2cccs2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](NC(=O)c1cccs1)C(=O)NCCC[*:1]
Cc1cc(C)n(CCCNC(=O)[C@H](C)NC(=O)c2cccs2)n1 c1csc(c1)[*:1] Cc1cc(C)n(CCCNC(=O)[C@H](C)NC(=O)[*:1])n1
C[C@H]([NH2+]CC(C)(C)C(=O)[O-])c1nccs1 c1csc(n1)[*:1] C[C@H]([NH2+]CC(C)(C)C(=O)[O-])[*:1]
C[C@H]([NH2+]CC(C)(C)C(=O)[O-])c1nccs1 O=C([O-])[*:1] C[C@H]([NH2+]CC(C)(C)[*:1])c1nccs1
CC(C)CS(=O)(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 CC(C)[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)S(=O)(=O)C[*:1]
CC(C)CS(=O)(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 CC(C)C[*:1] CN(CCC1CCN(CC1)c1cc[nH+]cc1)S(=O)(=O)[*:1]
Cc1cccc(S[C@@H]2CC[C@@](C#N)(NC(C)C)C2)c1 CC(C)N[*:1] Cc1cccc(c1)S[C@@H]1CC[C@@](C#N)(C1)[*:1]
Cc1cccc(S[C@@H]2CC[C@@](C#N)(NC(C)C)C2)c1 CC(C)[*:1] Cc1cccc(c1)S[C@@H]1CC[C@](C#N)(C1)N[*:1]
CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c[nH+]1 CCN(CC)[*:1] Cc1ncc(cc1C(=O)NCc1ccc([nH+]c1)[*:1])[N+](=O)[O-]
CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c[nH+]1 O=[N+]([O-])[*:1] CCN(CC)c1ccc(c[nH+]1)CNC(=O)c1cc(cnc1C)[*:1]
CCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CN(C)CCO1 CCCCC[*:1] C[C@H]([NH2+][C@H](C)[C@@H]1CN(C)CCO1)[*:1]
CCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CN(C)CCO1 CCCC[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)[C@@H]1CN(C)CCO1
CCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CN(C)CCO1 CCC[*:1] C[C@@H](CC[*:1])[NH2+][C@H](C)[C@@H]1CN(C)CCO1
Cn1ccnc1COC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F Cn1ccnc1C[*:1] O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)O[*:1]
Cn1ccnc1COC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F Cn1ccnc1[*:1] O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)OC[*:1]
Cn1ccnc1COC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F Clc1ccc(cc1)[*:1] Cn1ccnc1COC(=O)/C=C(\C(F)(F)F)[*:1]
Cn1ccnc1COC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F FC(F)(F)[*:1] Cn1ccnc1COC(=O)C=C(c1ccc(Cl)cc1)[*:1]
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(-c2ccccc2)[nH]1 c1ccc(cc1)[*:1] CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([nH]1)[*:1]
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(-c2ccccc2)[nH]1 CCNC(=O)[*:1] [NH3+][C@@H]1C[C@H](N(C1)C(=O)c1ccc([nH]1)-c1ccccc1)[*:1]
CCCC[C@@H](C(=O)[O-])[C@H](O)c1cncn1CC O=C([O-])[*:1] CCCC[C@@H]([C@H](O)c1cncn1CC)[*:1]
CCCC[C@@H](C(=O)[O-])[C@H](O)c1cncn1CC CCCC[*:1] CCn1cncc1[C@@H](O)[C@H](C(=O)[O-])[*:1]
CCCC[C@@H](C(=O)[O-])[C@H](O)c1cncn1CC CCC[*:1] CCn1cncc1[C@@H](O)[C@@H](C[*:1])C(=O)[O-]
CCO[C@@H](C)c1nc(CN(C)C(=O)Cc2ccccc2F)cs1 Fc1ccccc1[*:1] CCO[C@@H](C)c1nc(cs1)CN(C)C(=O)C[*:1]
CCO[C@@H](C)c1nc(CN(C)C(=O)Cc2ccccc2F)cs1 CCO[*:1] C[C@@H](c1nc(cs1)CN(C)C(=O)Cc1ccccc1F)[*:1]
CC1(C)CCCN1C(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CC1(C)CCCN1C(=O)c1cnc(s1)[*:1]
CC(C)[C@H](C(=O)NC[C@H](C)Oc1ccc(F)cc1)N1CCCC1=O O=C1CCCN1[*:1] CC(C)[C@H](C(=O)NC[C@H](C)Oc1ccc(F)cc1)[*:1]
CC(C)[C@H](C(=O)NC[C@H](C)Oc1ccc(F)cc1)N1CCCC1=O Fc1ccc(cc1)[*:1] CC(C)[C@H](C(=O)NC[C@H](C)O[*:1])N1CCCC1=O
CC(C)[C@H](C(=O)NC[C@H](C)Oc1ccc(F)cc1)N1CCCC1=O CC(C)[*:1] C[C@@H](CNC(=O)[C@H](N1CCCC1=O)[*:1])Oc1ccc(F)cc1
CC(C)[C@H](C(=O)NC[C@H](C)Oc1ccc(F)cc1)N1CCCC1=O Fc1ccc(cc1)O[*:1] CC(C)[C@H](C(=O)NC[C@H](C)[*:1])N1CCCC1=O
Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccccc4)CC3)cc2c1 c1ccc(cc1)C[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)[C@@H](c1nnnn1C(C)(C)C)N1CCN(CC1)[*:1]
Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccccc4)CC3)cc2c1 CC(C)(C)n1nnnc1[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)[C@@H](N1CCN(CC1)Cc1ccccc1)[*:1]
Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccccc4)CC3)cc2c1 c1ccc(cc1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)[C@@H](c1nnnn1C(C)(C)C)N1CCN(CC1)C[*:1]
Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccccc4)CC3)cc2c1 CC(C)(C)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)[C@@H](c1nnnn1[*:1])N1CCN(CC1)Cc1ccccc1
CCC(CC)[C@H](C)Nc1snc(C)c1C(C)=O CCC(CC)[*:1] CC(=O)c1c(C)nsc1N[C@@H](C)[*:1]
CCC(CC)[C@H](C)Nc1snc(C)c1C(C)=O CC(=O)[*:1] CCC(CC)[C@H](C)Nc1snc(C)c1[*:1]
O=C(C[NH+]1CCCC1)Nc1ccccc1C(=O)NC1CC1 O=C(NC1CC1)[*:1] O=C(C[NH+]1CCCC1)Nc1ccccc1[*:1]
O=C(C[NH+]1CCCC1)Nc1ccccc1C(=O)NC1CC1 C1CC1[*:1] O=C(C[NH+]1CCCC1)Nc1ccccc1C(=O)N[*:1]
COCC[C@@H](C)[NH2+][C@H](C)c1cc(F)c(C)cc1F COCC[*:1] Cc1cc(F)c(cc1F)[C@@H](C)[NH2+][C@H](C)[*:1]
COCC[C@@H](C)[NH2+][C@H](C)c1cc(F)c(C)cc1F COCC[C@@H](C)[*:1] Cc1cc(F)c(cc1F)[C@@H](C)[NH2+][*:1]
COCC[C@@H](C)[NH2+][C@H](C)c1cc(F)c(C)cc1F COC[*:1] Cc1cc(F)c(cc1F)[C@@H](C)[NH2+][C@H](C)C[*:1]
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c1C c1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C(=O)N(C)C)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c1C CN(C)C(=O)[*:1] CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](c2ccccc2)[*:1])c1C
Cc1cccc(NC(=O)CSCC(=O)N[C@H](C)c2cccc(Cl)c2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)CSCC(=O)N[*:1])c1cccc(Cl)c1
Cc1cccc(NC(=O)CSCC(=O)N[C@H](C)c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)CSCC(=O)N[C@H](C)[*:1]
O=C(c1cn[nH]c1-c1cccc(Br)c1)N1CCC([NH+]2CCCCC2)CC1 Brc1cccc(c1)[*:1] O=C(c1cn[nH]c1[*:1])N1CCC(CC1)[NH+]1CCCCC1
Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O Cc1ccc(Cl)cc1[*:1] O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N[*:1]
COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccccc1Br)CC2 Brc1ccccc1[*:1] COc1cc2CCN(C(=O)[*:1])[C@H](C)c2cc1OC
O=C(Cc1cccc(CNC(=O)c2cc3cccnn3c2)c1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NCc1cccc(c1)C[*:1])c1cc2cccnn2c1
O=C(Cc1cccc(CNC(=O)c2cc3cccnn3c2)c1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(NCc1cccc(c1)[*:1])c1cc2cccnn2c1
O=C(Cc1cccc(CNC(=O)c2cc3cccnn3c2)c1)NC1CC1 C1CC1[*:1] O=C(Cc1cccc(c1)CNC(=O)c1cc2cccnn2c1)N[*:1]
CCC[NH2+][C@H](CC1CCCCC1)[C@H]1CSCCS1 CCC[*:1] C1CCC(CC1)C[C@@H]([NH2+][*:1])[C@H]1CSCCS1
CCC[NH2+][C@H](CC1CCCCC1)[C@H]1CSCCS1 C1CCC(CC1)[*:1] CCC[NH2+][C@H](C[*:1])[C@H]1CSCCS1
Cc1nn(C)cc1-c1ccnc2nc(CCC(=O)[O-])nn12 O=C([O-])C[*:1] Cc1nn(C)cc1-c1ccnc2nc(C[*:1])nn12
Cc1nn(C)cc1-c1ccnc2nc(CCC(=O)[O-])nn12 O=C([O-])CC[*:1] Cc1nn(C)cc1-c1ccnc2nc(nn12)[*:1]
Cc1nn(C)cc1-c1ccnc2nc(CCC(=O)[O-])nn12 Cc1nn(C)cc1[*:1] O=C([O-])CCc1nc2nccc(n2n1)[*:1]
Cc1nn(C)cc1-c1ccnc2nc(CCC(=O)[O-])nn12 O=C([O-])[*:1] Cc1nn(C)cc1-c1ccnc2nc(CC[*:1])nn12
Cc1nc([C@@H](NC(=O)CSc2nc3ccccc3o2)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)CSc1nc2ccccc2o1)[*:1]
Cc1nc([C@@H](NC(=O)CSc2nc3ccccc3o2)c2ccccc2)n[nH]1 c1ccc2oc(nc2c1)[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)CS[*:1])c1ccccc1
Cc1nc([C@@H](NC(=O)CSc2nc3ccccc3o2)c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(CSc1nc2ccccc2o1)N[C@@H](c1ccccc1)[*:1]
C[C@H](NC(=O)CNc1cccc([N+](=O)[O-])c1)c1ccccc1 O=[N+]([O-])[*:1] C[C@H](NC(=O)CNc1cccc(c1)[*:1])c1ccccc1
C[C@H](NC(=O)CNc1cccc([N+](=O)[O-])c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CNc1cccc(c1)[N+](=O)[O-])[*:1]
Cc1cc(S(=O)(=O)Oc2ccc(-n3ccnc3)cc2)sc1C c1cn(cn1)[*:1] Cc1cc(sc1C)S(=O)(=O)Oc1ccc(cc1)[*:1]
Cc1cc(S(=O)(=O)Oc2ccc(-n3ccnc3)cc2)sc1C Cc1cc(sc1C)[*:1] O=S(=O)(Oc1ccc(cc1)-n1ccnc1)[*:1]
CCc1nnc(NC(=O)N(C)C[C@H]2CCCO2)s1 C1CO[C@H](C1)C[*:1] CCc1nnc(NC(=O)N(C)[*:1])s1
CCc1nnc(NC(=O)N(C)C[C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] CCc1nnc(NC(=O)N(C)C[*:1])s1
CCN(Cc1ccccn1)C(=O)c1ncoc1-c1ccc(C)cc1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1ncoc1-c1ccc(C)cc1
CCN(Cc1ccccn1)C(=O)c1ncoc1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCN(Cc1ccccn1)C(=O)c1ncoc1[*:1]
CCN(Cc1ccccn1)C(=O)c1ncoc1-c1ccc(C)cc1 c1ccc(C[*:1])nc1 CCN(C(=O)c1ncoc1-c1ccc(C)cc1)[*:1]
COC(=O)[C@](O)(c1ccc(N(C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F FC(F)(F)[*:1] COC(=O)[C@](O)(c1ccc(cc1)N(C)C(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
COC(=O)[C@](O)(c1ccc(N(C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F COC(=O)[*:1] CN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(cc1)[C@@](O)(C(F)(F)F)[*:1]
COC(=O)[C@](O)(c1ccc(N(C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F Clc1ccc(cc1Cl)[*:1] COC(=O)[C@](O)(c1ccc(cc1)N(C)C(=O)N[*:1])C(F)(F)F
COc1cccc(C(=O)N/N=C\c2ccc(Sc3cccc4cccnc34)o2)c1 COc1cccc(c1)[*:1] O=C(N/N=C\c1ccc(o1)Sc1cccc2cccnc12)[*:1]
O=C(C[NH+]1CCC(NC(=O)Cc2ccccc2Cl)CC1)Nc1ccccc1 Clc1ccccc1C[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)[*:1])Nc1ccccc1
O=C(C[NH+]1CCC(NC(=O)Cc2ccccc2Cl)CC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1Cl)NC1CC[NH+](CC1)CC(=O)N[*:1]
O=C(C[NH+]1CCC(NC(=O)Cc2ccccc2Cl)CC1)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(Cc1ccccc1Cl)NC1CC[NH+](CC1)C[*:1]
O=C(C[NH+]1CCC(NC(=O)Cc2ccccc2Cl)CC1)Nc1ccccc1 Clc1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)C[*:1])Nc1ccccc1
CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CN1CCN(CC1)C(=O)[C@@H]1CCCCN1C(=O)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)C(C)(C)c2cccc(C#N)c2)CC1 CC(C)CC[*:1] CC(C)(C(=O)N1CCN(CC1)C(=O)[*:1])c1cccc(C#N)c1
CC(C)CCC(=O)N1CCN(C(=O)C(C)(C)c2cccc(C#N)c2)CC1 CC(C)C[*:1] CC(C)(C(=O)N1CCN(CC1)C(=O)C[*:1])c1cccc(C#N)c1
CC(C)CCC(=O)N1CCN(C(=O)C(C)(C)c2cccc(C#N)c2)CC1 N#Cc1cccc(c1)[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)C(C)(C)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)C(C)(C)c2cccc(C#N)c2)CC1 CC(C)[*:1] CC(C)(C(=O)N1CCN(CC1)C(=O)CC[*:1])c1cccc(C#N)c1
COc1cc([C@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@@H]2C)OCO4)cc(OC)c1OC C1CCN(C1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1c2cc3OCOc3cc2O[C@@](C)([C@@H]1C)[*:1]
Cc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)OC[C@H]1C CC(C)[*:1] Cc1cccc(c1NC(=O)N1C[C@@H](C)OC[C@H]1C)[*:1]
CCCc1nnsc1C(=O)NCCn1nc(-n2nc(C)cc2C)ccc1=O Cc1cc(C)n(n1)[*:1] CCCc1nnsc1C(=O)NCCn1nc(ccc1=O)[*:1]
CCCc1nnsc1C(=O)NCCn1nc(-n2nc(C)cc2C)ccc1=O CCCc1nnsc1[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CCNC(=O)[*:1])n1
CCCc1nnsc1C(=O)NCCn1nc(-n2nc(C)cc2C)ccc1=O CCC[*:1] Cc1cc(C)n(n1)-c1ccc(=O)n(CCNC(=O)c2snnc2[*:1])n1
COc1cccc([C@H](C)CC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 COc1cccc(c1)[*:1] C[C@H](CC(=O)NCC1CCN(CC1)c1cc[nH+]cc1)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1 O=C(Nc1cc(F)ccc1F)[*:1] Cc1ccc(cc1)-c1cc(c2c(C)nn(c2n1)[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(c2nc(cc(C(=O)Nc3cc(F)ccc3F)c12)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1 Fc1ccc(F)c(c1)[*:1] Cc1ccc(cc1)-c1cc(C(=O)N[*:1])c2c(C)nn(c2n1)[C@@H]1CCS(=O)(=O)C1
Brc1cncc(OC2CCC2)c1 C1CC(C1)[*:1] Brc1cncc(c1)O[*:1]
COc1ccccc1[C@H]1C[C@@H]1NC(=O)N[C@H](C)c1ccc(C)o1 Cc1ccc(o1)[*:1] COc1ccccc1[C@H]1C[C@@H]1NC(=O)N[C@H](C)[*:1]
CCOC(=O)c1ncsc1-c1ccc(Cl)cc1Cl CCOC(=O)[*:1] Clc1ccc(c(Cl)c1)-c1scnc1[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C#N)CC2)cc1C CC(C)(C#N)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C#N)CC2)cc1C Cc1ccc(cc1C)[*:1] CC(C)(C#N)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C#N)CC2)cc1C CC(C)(C#N)NC(=O)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)[*:1]
C[NH2+]C[C@@H](C)Cc1c(C)nn(-c2ccncc2)c1C c1cc(ccn1)[*:1] C[NH2+]C[C@@H](C)Cc1c(C)nn(c1C)[*:1]
CN(C)C(=O)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
O=C(NCc1c(F)cccc1OC(F)F)c1ncoc1[C@@H]1CCCO1 FC(F)[*:1] O=C(NCc1c(F)cccc1O[*:1])c1ncoc1[C@@H]1CCCO1
O=C(NCc1c(F)cccc1OC(F)F)c1ncoc1[C@@H]1CCCO1 FC(F)O[*:1] O=C(NCc1c(F)cccc1[*:1])c1ncoc1[C@@H]1CCCO1
Cc1ccc([C@@H](C)NC(=O)NCCN2CCCCCC2=O)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)NCCN1CCCCCC1=O)[*:1]
COc1ccc(-c2ccnc(N3CCCCC3)n2)cc1OC C1CCN(CC1)[*:1] COc1ccc(cc1OC)-c1ccnc(n1)[*:1]
COc1ccccc1-c1noc(COc2ccc(C=O)cc2Cl)n1 COc1ccccc1[*:1] O=Cc1ccc(OCc2nc(no2)[*:1])c(Cl)c1
CS[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] CS[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
CS[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] CS[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cc1cccc([C@@H](O)CN[C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)[C@@H](O)CN[C@@H](C)c1nnn(c1C)[*:1]
Cc1cccc([C@@H](O)CN[C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)c1 Cc1cccc(c1)[*:1] Cc1c(nnn1-c1cccc(Cl)c1)[C@H](C)NC[C@H](O)[*:1]
CN1CC[C@@H](NC(=O)NC2(c3ccc(F)cc3F)CCCC2)C1=O Fc1ccc(c(F)c1)[*:1] CN1CC[C@@H](NC(=O)NC2(CCCC2)[*:1])C1=O
Cc1cc(Sc2nc(NC(C)C)nc(NC(C)C)n2)nc(Cl)n1 CC(C)[*:1] Cc1cc(nc(Cl)n1)Sc1nc(nc(n1)N[*:1])NC(C)C
Cc1cc(Sc2nc(NC(C)C)nc(NC(C)C)n2)nc(Cl)n1 CC(C)N[*:1] Cc1cc(nc(Cl)n1)Sc1nc(nc(n1)[*:1])NC(C)C
O=C1CCCCC[C@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C1CCCCC[C@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(cc1)O[*:1]
O=C1CCCCC[C@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C1CCCCC[C@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(cc1)[*:1]
O=C1CCCCC[C@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 FC(F)Oc1ccc(cc1)[*:1] O=C1CCCCC[C@H]1Sc1nc2ccccc2c(=O)n1[*:1]
CC[C@@H]1CCC[C@@H](Oc2cncc(C(=O)[O-])n2)C1 O=C([O-])[*:1] CC[C@@H]1CCC[C@H](C1)Oc1cncc(n1)[*:1]
CCOC(=O)CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 CCOC(=O)[*:1] O=C1C[C@@]2(CCC(=O)N(CC2)C[*:1])Oc2ccccc21
CCOC(=O)CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 CCOC(=O)C[*:1] O=C1C[C@@]2(CCC(=O)N(CC2)[*:1])Oc2ccccc21
CCn1cc(/C=C/c2cc(C(=O)[O-])ncn2)cn1 O=C([O-])[*:1] CCn1cc(/C=C/c2cc(ncn2)[*:1])cn1
COc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ncccc2c1 CN(C)S(=O)(=O)[*:1] COc1cc(NC(=O)c2ccc(cc2)[*:1])c2ncccc2c1
C[C@H](NC(=O)C[NH2+]C(C)(C)C)c1ccc(Cl)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)C[NH2+][*:1])c1ccc(Cl)cc1
C[C@H]1CN(CC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(CC(=O)N2CCN(CC2)CC(=O)N[*:1])C[C@H](C)O1
C[C@H]1CN(CC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C[C@H](C)O1 O=C(Nc1ccccc1)[*:1] C[C@H]1CN(CC(=O)N2CCN(CC2)C[*:1])C[C@H](C)O1
CC(C)c1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 Fc1ccccc1[*:1] CC(C)c1ccc(cc1)CN(C(=O)[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)c1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(c1ccccc1F)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)c1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 CC(C)[*:1] O=C(c1ccccc1F)N(Cc1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1OCC(F)(F)F FC(F)(F)C[*:1] COc1ccc(cc1O[*:1])NC(=O)N[C@@H]1C[C@@H]1C
COc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1OCC(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1OC[*:1])NC(=O)N[C@@H]1C[C@@H]1C
COc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1ccc(cc1[*:1])NC(=O)N[C@@H]1C[C@@H]1C
COCCN(Cc1ccccc1)C(=O)Nc1ccc(C(C)=O)cc1 COC[*:1] CC(=O)c1ccc(cc1)NC(=O)N(Cc1ccccc1)C[*:1]
COCCN(Cc1ccccc1)C(=O)Nc1ccc(C(C)=O)cc1 CC(=O)[*:1] COCCN(Cc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
COCCN(Cc1ccccc1)C(=O)Nc1ccc(C(C)=O)cc1 COCC[*:1] CC(=O)c1ccc(cc1)NC(=O)N(Cc1ccccc1)[*:1]
COCCN(Cc1ccccc1)C(=O)Nc1ccc(C(C)=O)cc1 c1ccc(cc1)C[*:1] COCCN(C(=O)Nc1ccc(cc1)C(C)=O)[*:1]
COCCN(Cc1ccccc1)C(=O)Nc1ccc(C(C)=O)cc1 c1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)Nc1ccc(cc1)C(C)=O
CC(C)Oc1cc(NC[C@H]2CN(C)CCO2)c(N)cc1F CC(C)O[*:1] CN1CCO[C@@H](CNc2cc(c(F)cc2N)[*:1])C1
CC(C)Oc1cc(NC[C@H]2CN(C)CCO2)c(N)cc1F CC(C)[*:1] CN1CCO[C@@H](CNc2cc(O[*:1])c(F)cc2N)C1
CC(C)Oc1cc(NC[C@H]2CN(C)CCO2)c(N)cc1F CN1CCO[C@H](C1)[*:1] CC(C)Oc1cc(NC[*:1])c(N)cc1F
CCOc1ccccc1N1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)CC1 CCO[*:1] CC(C)(C)n1cc(cn1)NC(=O)N1CCN(CC1)c1ccccc1[*:1]
CCOc1ccccc1N1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)CC1 CCOc1ccccc1[*:1] CC(C)(C)n1cc(cn1)NC(=O)N1CCN(CC1)[*:1]
CCOc1ccccc1N1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)CC1 CC(C)(C)n1cc(cn1)[*:1] CCOc1ccccc1N1CCN(CC1)C(=O)N[*:1]
CCOc1ccccc1N1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)CC1 CC(C)(C)[*:1] CCOc1ccccc1N1CCN(CC1)C(=O)Nc1cnn(c1)[*:1]
C=CCNC(=O)CNc1cc(Cl)c(Cl)cc1Cl C=CC[*:1] O=C(CNc1cc(Cl)c(Cl)cc1Cl)N[*:1]
COCCOC[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 COCCOC[*:1] C[C@@H](NC(=O)N1CC[C@H](C1)[*:1])c1ccc(Cl)s1
COCCOC[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 COCCO[*:1] C[C@@H](NC(=O)N1CC[C@H](C1)C[*:1])c1ccc(Cl)s1
COCCOC[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 COC[*:1] C[C@@H](NC(=O)N1CC[C@@H](COC[*:1])C1)c1ccc(Cl)s1
COCCOC[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 Clc1ccc(s1)[*:1] COCCOC[C@@H]1CCN(C1)C(=O)N[C@H](C)[*:1]
COCCOC[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 COCC[*:1] C[C@@H](NC(=O)N1CC[C@@H](CO[*:1])C1)c1ccc(Cl)s1
Cc1ccc(-c2ncco2)cc1NC(=O)CS[C@H]1CCS(=O)(=O)C1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)CS[C@H]1CCS(=O)(=O)C1)[*:1]
Cn1cccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)c1=O FC(F)(F)[*:1] Cn1cccc(NC(=O)Cn2cccc(c2=O)[*:1])c1=O
COc1ccc(CNC(=O)N[C@H](C)[C@@H]2CCCO2)cc1F C1CO[C@@H](C1)[*:1] COc1ccc(cc1F)CNC(=O)N[C@H](C)[*:1]
CCO/C=C1/C(=O)N(c2ccccc2OC)C(=O)c2ccccc21 COc1ccccc1[*:1] CCO/C=C1/C(=O)N(C(=O)c2ccccc21)[*:1]
CCO/C=C1/C(=O)N(c2ccccc2OC)C(=O)c2ccccc21 CCO[*:1] COc1ccccc1N1C(=O)C(=C[*:1])c2ccccc2C1=O
C[C@@H](CO)NC(=O)CSc1ncnc2nc[nH]c12 C[C@@H](CO)[*:1] O=C(CSc1ncnc2nc[nH]c12)N[*:1]
C[C@H]([NH2+]Cc1ccc(F)c(CO)c1)c1ccc(-c2cccs2)cc1 c1csc(c1)[*:1] C[C@H]([NH2+]Cc1ccc(F)c(c1)CO)c1ccc(cc1)[*:1]
O=C(c1cccc(NCc2ncc(-c3cccc(Cl)c3)o2)c1)N1CCC(CO)CC1 Clc1cccc(c1)[*:1] O=C(c1cccc(c1)NCc1ncc(o1)[*:1])N1CCC(CO)CC1
O=C(c1cccc(NCc2ncc(-c3cccc(Cl)c3)o2)c1)N1CCC(CO)CC1 O=C(N1CCC(CO)CC1)[*:1] Clc1cccc(c1)-c1cnc(CNc2cccc(c2)[*:1])o1
C[C@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)C1=NN(C(=O)[C@H](C)N1)[*:1]
CC(C)[C@@H](C)CC(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 CC(C)[C@@H](C)C[*:1] C[C@@H](NC(=O)[*:1])c1cc(F)ccc1N1CCC(O)CC1
CC(C)[C@@H](C)CC(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 OC1CCN(CC1)[*:1] CC(C)[C@@H](C)CC(=O)N[C@H](C)c1cc(F)ccc1[*:1]
CC(C)[C@@H](C)CC(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 CC(C)[*:1] C[C@@H](CC(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)[*:1]
CC(C)[C@@H](C)CC(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 CC(C)[C@@H](C)[*:1] C[C@@H](NC(=O)C[*:1])c1cc(F)ccc1N1CCC(O)CC1
CC(C)NC(=O)CCn1ccc(C(=O)[O-])n1 CC(C)[*:1] O=C(CCn1ccc(n1)C(=O)[O-])N[*:1]
CC(C)NC(=O)CCn1ccc(C(=O)[O-])n1 O=C([O-])[*:1] CC(C)NC(=O)CCn1ccc(n1)[*:1]
CN1/C(=C\C(=O)COC(=O)c2cccc(O)c2)C(C)(C)c2ccccc21 Oc1cccc(c1)[*:1] CN1/C(=C\C(=O)COC(=O)[*:1])C(C)(C)c2ccccc21
O=C(NCc1cccs1)NCC1(O)CCCC1 c1csc(c1)[*:1] O=C(NCC1(O)CCCC1)NC[*:1]
C[C@@H]1CCc2c(sc3ncnc(OCC(=O)NCc4ccco4)c23)C1 c1coc(c1)[*:1] C[C@@H]1CCc2c(C1)sc1ncnc(OCC(=O)NC[*:1])c21
C[C@@H]1CCc2c(sc3ncnc(OCC(=O)NCc4ccco4)c23)C1 c1coc(c1)C[*:1] C[C@@H]1CCc2c(C1)sc1ncnc(OCC(=O)N[*:1])c21
COc1cccc(COC(=O)c2cc(C)nc3c2c(C)nn3C)c1 COc1cccc(c1)[*:1] Cc1cc(C(=O)OC[*:1])c2c(C)nn(C)c2n1
CCc1nn(C)c(NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c1[N+](=O)[O-] Cc1ccc(cc1)[*:1] CCc1nn(C)c(NC[C@@H]2CCCO[C@@H]2[*:1])c1[N+](=O)[O-]
CCc1nn(C)c(NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c1[*:1]
O=C(C1CCOCC1)N(CC1CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C1CCOCC1)N(CC1CC1)[*:1]
O=C(C1CCOCC1)N(CC1CC1)c1ccccc1 C1CC1C[*:1] O=C(C1CCOCC1)N(c1ccccc1)[*:1]
O=C(C1CCOCC1)N(CC1CC1)c1ccccc1 C1CC(CCO1)[*:1] O=C(N(CC1CC1)c1ccccc1)[*:1]
O=C(C1CCOCC1)N(CC1CC1)c1ccccc1 C1CC1[*:1] O=C(C1CCOCC1)N(C[*:1])c1ccccc1
COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl O=[N+]([O-])c1ccc(c(Cl)c1)[*:1] COc1ccc(cc1Cl)NC(=O)c1ccccc1NC(=O)[*:1]
COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1Cl)NC(=O)c1ccccc1NC(=O)c1ccc(cc1Cl)[*:1]
CC(C)CCSc1nnc2c(S(=O)(=O)N3CCOCC3)cccn12 CC(C)C[*:1] O=S(=O)(c1cccn2c(nnc12)SC[*:1])N1CCOCC1
CC(C)CCSc1nnc2c(S(=O)(=O)N3CCOCC3)cccn12 CC(C)CCS[*:1] O=S(=O)(c1cccn2c(nnc12)[*:1])N1CCOCC1
CC(C)CCSc1nnc2c(S(=O)(=O)N3CCOCC3)cccn12 CC(C)[*:1] O=S(=O)(c1cccn2c(nnc12)SCC[*:1])N1CCOCC1
CC(C)CCSc1nnc2c(S(=O)(=O)N3CCOCC3)cccn12 CC(C)CC[*:1] O=S(=O)(c1cccn2c(nnc12)S[*:1])N1CCOCC1
CC(=O)NCCN1N[C@]1(C)CNC(C)=O CC(=O)N[*:1] CC(=O)NCCN1N[C@]1(C)C[*:1]
CC(=O)NCCN1N[C@]1(C)CNC(C)=O CC(=O)N[*:1] CC(=O)NC[C@@]1(C)NN1CC[*:1]
CC(=O)NCCN1N[C@]1(C)CNC(C)=O CC(=O)NC[*:1] CC(=O)NCCN1N[C@@]1(C)[*:1]
CC(=O)NCCN1N[C@]1(C)CNC(C)=O CC(=O)NC[*:1] CC(=O)NC[C@@]1(C)NN1C[*:1]
Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(O)cc1 Oc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)c1ccccc1
Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(O)cc1 c1ccc(cc1)[*:1] Cn1c(nnc1-c1ccc(O)cc1)SCC(=O)[*:1]
C[C@@H](c1ccco1)N(C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC1 C[C@@H](c1ccco1)[*:1] O=C(NC1CCN(CC1)c1cccc[nH+]1)N(C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)NC1CCN(CC1)c1cccc[nH+]1)[*:1]
C[C@@H](c1ccco1)N(C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)NC1CCN(CC1)c1cccc[nH+]1)C1CC1)[*:1]
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCC(C)(C)c3ccncc3)c2)n1 CC(C)(c1ccncc1)[*:1] Cc1coc(n1)-c1ccc(C)c(c1)NC(=O)C(=O)NC[*:1]
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCC(C)(C)c3ccncc3)c2)n1 Cc1coc(n1)[*:1] Cc1ccc(cc1NC(=O)C(=O)NCC(C)(C)c1ccncc1)[*:1]
Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NCC(C)(C)c3ccncc3)c2)n1 c1cc(ccn1)[*:1] Cc1coc(n1)-c1ccc(C)c(c1)NC(=O)C(=O)NCC(C)(C)[*:1]
CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2cccs2)C(C)(C)C)c(C)o1 CC(C)(C)[*:1] CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2cccs2)[*:1])c(C)o1
CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2cccs2)C(C)(C)C)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)N[C@@H](c1cccs1)C(C)(C)C)[*:1]
CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2cccs2)C(C)(C)C)c(C)o1 c1csc(c1)[*:1] CNS(=O)(=O)c1cc(C(=O)N[C@@H](C(C)(C)C)[*:1])c(C)o1
O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccc2c(c1)ncn2-c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCn1nc(ccc1=O)-c1ccco1)c1ccc2c(c1)ncn2[*:1]
O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccc2c(c1)ncn2-c1ccccc1 c1coc(c1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])c1ccc2c(c1)ncn2-c1ccccc1
O=C(Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN1C(=O)c1ccco1
O=C(Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1)c1cccs1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)NC(=O)[C@H]1CCCN1C(=O)[*:1])c1cccs1
O=C(Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1)c1cccs1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])[C@H]1CCCN1C(=O)c1ccco1
Cc1nccn1-c1cncc(N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)n1 Cc1nccn1[*:1] C[C@H](Nc1cncc(n1)[*:1])c1ccc2OCC(=O)Nc2c1
Cc1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2F)c(N(C)C)c1 Fc1ccc(F)c(c1)[*:1] Cc1ccc(CNC(=O)C(=O)N[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2F)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2F)c(c1)[*:1]
Cc1nc(NC(=O)C2CCC2)ccc1Br C1CC(C1)[*:1] Cc1nc(ccc1Br)NC(=O)[*:1]
C[NH+](C)[C@@H](CNC(=O)Nc1nc(C2CC2)cs1)c1ccco1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1nc(cs1)[*:1])c1ccco1
C[NH+](C)[C@@H](CNC(=O)Nc1nc(C2CC2)cs1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1nc(cs1)C1CC1)[*:1]
Cc1cc(N[C@H](c2ccccc2)c2ccco2)n2nc(C)cc2n1 c1ccc(cc1)[*:1] Cc1cc(N[C@H](c2ccco2)[*:1])n2nc(C)cc2n1
Cc1cc(N[C@H](c2ccccc2)c2ccco2)n2nc(C)cc2n1 c1coc(c1)[*:1] Cc1cc(N[C@H](c2ccccc2)[*:1])n2nc(C)cc2n1
CCCc1cc(NC(=O)NCCNC(=O)C(C)(C)C)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)NCCNC(=O)C(C)(C)C)[*:1]
CCCc1cc(NC(=O)NCCNC(=O)C(C)(C)C)n(C)n1 CC(C)(C)C(=O)N[*:1] CCCc1cc(NC(=O)NCC[*:1])n(C)n1
CCCc1cc(NC(=O)NCCNC(=O)C(C)(C)C)n(C)n1 CC(C)(C)[*:1] CCCc1cc(NC(=O)NCCNC(=O)[*:1])n(C)n1
N#CCSc1cccc(C(=O)OCc2nc(C3CC3)cs2)c1 C1CC1[*:1] N#CCSc1cccc(c1)C(=O)OCc1nc(cs1)[*:1]
N#CCSc1cccc(C(=O)OCc2nc(C3CC3)cs2)c1 N#CCS[*:1] O=C(OCc1nc(cs1)C1CC1)c1cccc(c1)[*:1]
N#CCSc1cccc(C(=O)OCc2nc(C3CC3)cs2)c1 N#CC[*:1] O=C(OCc1nc(cs1)C1CC1)c1cccc(c1)S[*:1]
Cc1cccc(N2C[C@H](C(=O)Nc3cc(C#N)ccc3Cl)CC2=O)c1C Cc1cccc(c1C)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC[C@H]1C(=O)NCCN1C(=O)Cc1ccc(Br)s1 Brc1ccc(s1)[*:1] CC[C@H]1C(=O)NCCN1C(=O)C[*:1]
CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C CC(C)(C)[*:1] CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N[*:1]
CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C CC[C@@H](C)[*:1] CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[*:1]
O=C(NCCOc1ccccc1)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(NCCO[*:1])Nc1ccc2OCOc2c1
O=C(NCCOc1ccccc1)Nc1ccc2c(c1)OCO2 c1ccc(cc1)O[*:1] O=C(NCC[*:1])Nc1ccc2OCOc2c1
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCC(=O)NC(=O)NC)C1=O CNC(=O)NC(=O)[*:1] CC[C@]1(NC(=O)N(CC[*:1])C1=O)c1ccc(F)cc1
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCC(=O)NC(=O)NC)C1=O Fc1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CCC(=O)NC(=O)NC)C1=O)[*:1]
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCC(=O)NC(=O)NC)C1=O CNC(=O)NC(=O)C[*:1] CC[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1
CSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)N(C(C)=O)c1ccccc1-2 O=[N+]([O-])c1cccc(c1)[*:1] CSc1nnc2-c3ccccc3N(C(C)=O)[C@H](Oc2n1)[*:1]
CSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)N(C(C)=O)c1ccccc1-2 O=[N+]([O-])[*:1] CSc1nnc2-c3ccccc3N(C(C)=O)[C@@H](Oc2n1)c1cccc(c1)[*:1]
CCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])-c1nc2ncccc2o1
CCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1C CCC[*:1] Cc1c(cccc1-c1nc2ncccc2o1)NC(=O)[*:1]
COc1ccc(CNC(=O)N(Cc2ccco2)C2CCC(C)CC2)cc1 COc1ccc(cc1)[*:1] CC1CCC(CC1)N(Cc1ccco1)C(=O)NC[*:1]
COc1ccc(CNC(=O)N(Cc2ccco2)C2CCC(C)CC2)cc1 CC1CCC(CC1)[*:1] COc1ccc(cc1)CNC(=O)N(Cc1ccco1)[*:1]
COc1ccc(CNC(=O)N(Cc2ccco2)C2CCC(C)CC2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)CNC(=O)N(C[*:1])C1CCC(C)CC1
COc1ccc(CNC(=O)N(Cc2ccco2)C2CCC(C)CC2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)CNC(=O)N(C1CCC(C)CC1)[*:1]
CCn1c(-c2ccccc2)nn(CC(=O)N[C@H](C)C2=CCCCC2)c1=O c1ccc(cc1)[*:1] CCn1c(nn(CC(=O)N[C@H](C)C2=CCCCC2)c1=O)[*:1]
CCCn1cc(NC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)cn1 CCC[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)Nc1cnn(c1)[*:1]
CCCn1cc(NC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)cn1 CNC(=O)[*:1] CCCn1cc(cn1)NC(=O)Nc1ccc(Cl)c(c1)[*:1]
CNC(=O)CN1CCN(C(=O)c2cc(F)ccc2O)CC1 CNC(=O)C[*:1] O=C(c1cc(F)ccc1O)N1CCN(CC1)[*:1]
CNC(=O)CN1CCN(C(=O)c2cc(F)ccc2O)CC1 CNC(=O)[*:1] O=C(c1cc(F)ccc1O)N1CCN(CC1)C[*:1]
Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCCN(C)c1ccccc1 Brc1ccc(s1)[*:1] Cc1onc(c1C(=O)NCCCN(C)c1ccccc1)[*:1]
Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCCN(C)c1ccccc1 CN(c1ccccc1)[*:1] Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCC[*:1]
Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCCN(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCCN(C)[*:1]
CCC(CC)(C(=O)[O-])n1nnnc1C[C@@H](C)C(C)(C)C O=C([O-])[*:1] CCC(CC)(n1nnnc1C[C@@H](C)C(C)(C)C)[*:1]
CCC(CC)(C(=O)[O-])n1nnnc1C[C@@H](C)C(C)(C)C C[C@@H](C(C)(C)C)[*:1] CCC(CC)(C(=O)[O-])n1nnnc1C[*:1]
CCC(CC)(C(=O)[O-])n1nnnc1C[C@@H](C)C(C)(C)C CC(C)(C)[*:1] CCC(CC)(C(=O)[O-])n1nnnc1C[C@@H](C)[*:1]
C[C@@H](Nc1nc2ccc(Br)cn2n1)c1nncn1C Cn1cnnc1[*:1] C[C@@H](Nc1nc2ccc(Br)cn2n1)[*:1]
COc1ccccc1NC(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 c1ccc2[nH]c(nc2c1)[*:1] COc1ccccc1NC(=O)C[NH+]1CCC(CC1)[*:1]
COc1ccccc1NC(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 COc1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)c1nc2ccccc2[nH]1)N[*:1]
CSc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 NC(=O)[*:1] CSc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1[*:1]
COc1ccc(/N=C2\S[C@@H](CC(N)=O)C(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)/N=C1\S[C@@H](CC(N)=O)C(=O)N1C[*:1]
COc1ccc(/N=C2\S[C@@H](CC(N)=O)C(=O)N2Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)/N=C1\S[C@@H](CC(N)=O)C(=O)N1[*:1]
COc1ccc(/N=C2\S[C@@H](CC(N)=O)C(=O)N2Cc2ccc(F)cc2)cc1 NC(=O)[*:1] COc1ccc(cc1)/N=C1\S[C@@H](C[*:1])C(=O)N1Cc1ccc(F)cc1
COc1ccc(/N=C2\S[C@@H](CC(N)=O)C(=O)N2Cc2ccc(F)cc2)cc1 NC(=O)C[*:1] COc1ccc(cc1)/N=C1\S[C@@H](C(=O)N1Cc1ccc(F)cc1)[*:1]
COc1ccc(/N=C2\S[C@@H](CC(N)=O)C(=O)N2Cc2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] NC(=O)C[C@@H]1SC(=N[*:1])N(Cc2ccc(F)cc2)C1=O
CCCc1cc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)[*:1]
CCCc1cc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)n(C)n1 c1csc(c1)[*:1] CCCc1cc(NC(=O)N2CCC[C@H]2C[C@@H](O)[*:1])n(C)n1
CCCc1cc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)n(C)n1 O[C@@H](c1cccs1)[*:1] CCCc1cc(NC(=O)N2CCC[C@H]2C[*:1])n(C)n1
CCCc1cc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)n(C)n1 O[C@H](C[*:1])c1cccs1 CCCc1cc(NC(=O)N2CCC[C@@H]2[*:1])n(C)n1
CC(C)c1ccc(OC(=O)CSc2ccncc2)cc1 CC(C)[*:1] O=C(CSc1ccncc1)Oc1ccc(cc1)[*:1]
CC(C)c1ccc(OC(=O)CSc2ccncc2)cc1 c1cc(ccn1)[*:1] CC(C)c1ccc(cc1)OC(=O)CS[*:1]
Cn1cc(C(=O)NNC(=O)Cc2ccc(F)c(F)c2)c2ccccc21 Fc1ccc(cc1F)[*:1] Cn1cc(C(=O)NNC(=O)C[*:1])c2ccccc21
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccc(F)cc1Cl NC(=O)[*:1] C[C@H]1CC[C@H](CN1C(=O)COc1ccc(F)cc1Cl)[*:1]
COc1ccccc1CN(Cc1cccs1)C(=O)c1ccccc1OC c1csc(c1)[*:1] COc1ccccc1CN(C[*:1])C(=O)c1ccccc1OC
COc1ccccc1CN(Cc1cccs1)C(=O)c1ccccc1OC COc1ccccc1[*:1] COc1ccccc1C(=O)N(Cc1cccs1)C[*:1]
COc1ccccc1CN(Cc1cccs1)C(=O)c1ccccc1OC COc1ccccc1[*:1] COc1ccccc1CN(Cc1cccs1)C(=O)[*:1]
COc1ccccc1CN(Cc1cccs1)C(=O)c1ccccc1OC c1csc(c1)C[*:1] COc1ccccc1CN(C(=O)c1ccccc1OC)[*:1]
Cc1ccc(C(=O)N2CCOC[C@H]2C)cc1NS(C)(=O)=O CS(=O)(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCOC[C@H]1C
Cc1ccc(C(=O)NO[C@@H]2CCCCO2)c(O)c1 C1CC[C@H](OC1)[*:1] Cc1ccc(C(=O)NO[*:1])c(O)c1
COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1[*:1]
COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-] COCCOC(=O)[*:1] CC1N=C2S[C@H](C)C(=O)N2[C@H](C=1[*:1])c1ccccc1[N+](=O)[O-]
COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1[*:1]
COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-] COC[*:1] CC1N=C2S[C@H](C)C(=O)N2[C@H](C=1C(=O)OC[*:1])c1ccccc1[N+](=O)[O-]
COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-] COCC[*:1] CC1N=C2S[C@H](C)C(=O)N2[C@H](C=1C(=O)O[*:1])c1ccccc1[N+](=O)[O-]
C#CCNC(=O)c1cc(Cl)cc2cccnc12 C#CC[*:1] O=C(N[*:1])c1cc(Cl)cc2cccnc12
CC[C@@H]1CN(C(=O)c2cccnc2OCCOC)CC[C@H]1c1ccccc1 COC[*:1] CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)c1cccnc1OC[*:1]
CC[C@@H]1CN(C(=O)c2cccnc2OCCOC)CC[C@H]1c1ccccc1 COCC[*:1] CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)c1cccnc1O[*:1]
CC[C@@H]1CN(C(=O)c2cccnc2OCCOC)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@@H]1[*:1])C(=O)c1cccnc1OCCOC
CC[C@@H]1CN(C(=O)c2cccnc2OCCOC)CC[C@H]1c1ccccc1 COCCO[*:1] CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)c1cccnc1[*:1]
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)no1 Cc1cc(no1)[*:1] Cc1noc(NS(=O)(=O)c2ccc(cc2)NC(=O)[*:1])c1C
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)no1 Cc1noc(c1C)[*:1] Cc1cc(no1)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
O=C(c1cc(Br)ccc1Cl)N1CCC(C(=O)N2CCCCC2)CC1 Clc1ccc(Br)cc1[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCCCC1
O=C(c1cc(Br)ccc1Cl)N1CCC(C(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] O=C(c1cc(Br)ccc1Cl)N1CCC(CC1)[*:1]
COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)CCCCC1 COC(=O)[*:1] COc1cc(OC)c(cc1Cl)N1C[C@@H](CC1=O)C(=O)NC1(CCCCC1)[*:1]
COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)CCCCC1 COC(=O)C1(CCCCC1)[*:1] COc1cc(OC)c(cc1Cl)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCOc1ccc(NC(=O)N(C)Cc2cccc(OC)c2)cc1Cl CCO[*:1] COc1cccc(c1)CN(C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCOc1ccc(NC(=O)N(C)Cc2cccc(OC)c2)cc1Cl COc1cccc(c1)[*:1] CCOc1ccc(cc1Cl)NC(=O)N(C)C[*:1]
CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1cccc(C)c1)C2 Cc1cccc(c1)C[*:1] CC(=O)N1CCCC[C@H]1c1ncc2CN(CCc2n1)C(=O)[*:1]
CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1cccc(C)c1)C2 Cc1cccc(c1)[*:1] CC(=O)N1CCCC[C@H]1c1ncc2CN(CCc2n1)C(=O)C[*:1]
Cc1nnc2ccc(N3CCC[C@@H](C(=O)NC4CCCC4)C3)nn12 C1CCC(C1)[*:1] Cc1nnc2ccc(nn12)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1nnc2ccc(N3CCC[C@@H](C(=O)NC4CCCC4)C3)nn12 O=C(NC1CCCC1)[*:1] Cc1nnc2ccc(nn12)N1CCC[C@@H](C1)[*:1]
Cc1ccc(CCCC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)s1 Cc1ccc(s1)[*:1] O=C(CCC[*:1])N1CC[C@@H]1c1ccc(Cl)cc1
Cc1ccc(CCCC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)s1 Cc1ccc(C[*:1])s1 O=C(CC[*:1])N1CC[C@@H]1c1ccc(Cl)cc1
Cc1ccc(CCCC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1ccc(CCCC(=O)N2CC[C@H]2[*:1])s1
CCCCc1nc2ccccc2n1C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 CCC[*:1] C[C@@H]1CN(C[C@H](O)Cn2c(C[*:1])nc3ccccc32)C[C@@H](C)O1
CCCCc1nc2ccccc2n1C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 CCCC[*:1] C[C@@H]1CN(C[C@H](O)Cn2c(nc3ccccc32)[*:1])C[C@@H](C)O1
Cc1c(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)oc2ccc(F)cc12 NS(=O)(=O)C[*:1] Cc1c(oc2ccc(F)cc12)C(=O)NCc1ccc(cc1)[*:1]
Cc1c(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)oc2ccc(F)cc12 NS(=O)(=O)[*:1] Cc1c(oc2ccc(F)cc12)C(=O)NCc1ccc(cc1)C[*:1]
CCc1cccc(OCCn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 CCc1cccc(c1)[*:1] Cn1c(=O)c2c(nc(Cl)n2CCO[*:1])n(C)c1=O
Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 Cc1cccc(c1)[*:1] Cc1c(cccc1-c1nc2ncccc2o1)NC(=O)CO[*:1]
Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 c1cnc2nc(oc2c1)[*:1] Cc1cccc(c1)OCC(=O)Nc1cccc(c1C)[*:1]
Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 Cc1cccc(c1)OC[*:1] Cc1c(cccc1-c1nc2ncccc2o1)NC(=O)[*:1]
Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 Cc1cccc(c1)O[*:1] Cc1c(cccc1-c1nc2ncccc2o1)NC(=O)C[*:1]
Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1CCOc1ccccc1 c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CCOc1ccccc1)N1CCN(CC1)C[*:1]
Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1CCOc1ccccc1 c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1CCO[*:1])N1CCN(CC1)Cc1ccccc1
Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1CCOc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc([nH]c(=O)c1CCOc1ccccc1)N1CCN(CC1)[*:1]
Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1CCOc1ccccc1 c1ccc(cc1)O[*:1] Cc1nc([nH]c(=O)c1CC[*:1])N1CCN(CC1)Cc1ccccc1
Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1CCOc1ccccc1 c1ccc(cc1)OCC[*:1] Cc1nc([nH]c(=O)c1[*:1])N1CCN(CC1)Cc1ccccc1
Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1CCOc1ccccc1 c1ccc(cc1)OC[*:1] Cc1nc([nH]c(=O)c1C[*:1])N1CCN(CC1)Cc1ccccc1
Cc1cccnc1Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O Cc1cccnc1C[*:1] Cc1c(sc2ncn(c(=O)c12)[*:1])-c1ccccc1
Cc1cccnc1Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O Cc1cccnc1[*:1] Cc1c(sc2ncn(C[*:1])c(=O)c12)-c1ccccc1
Cc1cccnc1Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O c1ccc(cc1)[*:1] Cc1cccnc1Cn1cnc2sc(c(C)c2c1=O)[*:1]
CC(C)OC(=O)c1ccc(N)cc1S(N)(=O)=O CC(C)[*:1] Nc1ccc(C(=O)O[*:1])c(c1)S(N)(=O)=O
CC(C)OC(=O)c1ccc(N)cc1S(N)(=O)=O NS(=O)(=O)[*:1] CC(C)OC(=O)c1ccc(N)cc1[*:1]
CN(C)c1cccc(C(=O)NNC(=O)NCc2cccc(F)c2)c1 Fc1cccc(c1)C[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)N[*:1]
CN(C)c1cccc(C(=O)NNC(=O)NCc2cccc(F)c2)c1 CN(C)[*:1] O=C(NCc1cccc(F)c1)NNC(=O)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)NNC(=O)NCc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)NC[*:1]
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(N2CCCCC2)c1 C1CCN(CC1)[*:1] CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(N2CCCCC2)c1 CCC[*:1] O=C(Nc1cccc(c1)N1CCCCC1)C(=O)N[C@@H]1C[C@H]1[*:1]
O=S(=O)(/C=C/c1ccccc1)NCC1(c2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])NCC1(CC1)c1ccc(F)cc1
O=S(=O)(/C=C/c1ccccc1)NCC1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(/C=C/c1ccccc1)NCC1(CC1)[*:1]
Cc1ccc(N[C@H](C)c2nc(C(C)C)no2)cc1Br CC(C)[*:1] Cc1ccc(cc1Br)N[C@H](C)c1nc(no1)[*:1]
[NH3+]CCOCC(=O)NCCn1cc[nH+]c1 [NH3+]CCO[*:1] O=C(C[*:1])NCCn1cc[nH+]c1
[NH3+]CCOCC(=O)NCCn1cc[nH+]c1 [NH3+]CCOC[*:1] O=C(NCCn1cc[nH+]c1)[*:1]
[NH3+]CCOCC(=O)NCCn1cc[nH+]c1 [NH3+]CC[*:1] O=C(CO[*:1])NCCn1cc[nH+]c1
FC(F)C(F)(F)[C@H](Cl)c1ccc2c(c1)CCCC2 FC(F)C(F)(F)[*:1] Cl[C@H](c1ccc2CCCCc2c1)[*:1]
FC(F)C(F)(F)[C@H](Cl)c1ccc2c(c1)CCCC2 FC(F)[*:1] FC(F)([C@H](Cl)c1ccc2CCCCc2c1)[*:1]
O=C(O[C@H](c1ccccc1)c1ccncc1)C1=Cc2ccccc2OC1 c1ccc(cc1)[*:1] O=C(O[C@H](c1ccncc1)[*:1])C1=Cc2ccccc2OC1
O=C(O[C@H](c1ccccc1)c1ccncc1)C1=Cc2ccccc2OC1 c1cc(ccn1)[*:1] O=C(O[C@H](c1ccccc1)[*:1])C1=Cc2ccccc2OC1
O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1CN1CCOCC1 Fc1ccc(cc1)[*:1] O=C(C[*:1])N1CCCC[C@@H]1CN1CCOCC1
O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1[*:1]
O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1C[*:1]
C[C@H](NC(=O)C=C1CCSCC1)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)C=C1CCSCC1)[*:1]
Cn1c(CC[NH+]2CCN(c3cccc[nH+]3)CC2)nc2cc(NC(=O)NC3CCCCC3)ccc21 C1CCC(CC1)[*:1] Cn1c(CC[NH+]2CCN(CC2)c2cccc[nH+]2)nc2cc(ccc21)NC(=O)N[*:1]
Cn1c(CC[NH+]2CCN(c3cccc[nH+]3)CC2)nc2cc(NC(=O)NC3CCCCC3)ccc21 O=C(NC1CCCCC1)N[*:1] Cn1c(CC[NH+]2CCN(CC2)c2cccc[nH+]2)nc2cc(ccc21)[*:1]
Cc1ncc([C@H](C)[NH2+]CCOc2cccc(F)c2)s1 Cc1ncc(s1)[*:1] C[C@H]([NH2+]CCOc1cccc(F)c1)[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)c2ccc(Br)cc2O)c1 Oc1cc(Br)ccc1[*:1] Cc1nnnn1-c1ccc(F)c(c1)NC(=O)[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)c2ccc(Br)cc2O)c1 Cc1nnnn1[*:1] O=C(Nc1cc(ccc1F)[*:1])c1ccc(Br)cc1O
CN(C)C(=O)c1ccccc1NC(=O)c1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccccc1NC(=O)c1coc(n1)[*:1]
CN(C)C(=O)c1ccccc1NC(=O)c1coc(-c2ccccc2)n1 CN(C)C(=O)[*:1] O=C(Nc1ccccc1[*:1])c1coc(n1)-c1ccccc1
O=C([C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CCN(C2CCCCC2)CC1 c1ccc(cc1)[*:1] O=C([C@H]1CCC(=O)N1S(=O)(=O)[*:1])N1CCN(CC1)C1CCCCC1
O=C([C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CCN(C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C([C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CCN(CC1)[*:1]
CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)N1CCC[C@@H]1CO CS(=O)(=O)[*:1] O=C(NCc1cc(F)ccc1C[*:1])N1CCC[C@@H]1CO
CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)N1CCC[C@@H]1CO CS(=O)(=O)C[*:1] O=C(NCc1cc(F)ccc1[*:1])N1CCC[C@@H]1CO
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)CCO[*:1] Cc1ccc(cc1NC(=O)N1CC[C@@H](C1)[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)C[*:1] Cc1ccc(cc1NC(=O)N1CC[C@H](C1)OC[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)CC[*:1] Cc1ccc(cc1NC(=O)N1CC[C@H](C1)O[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[C@@H](OCCC(C)C)C1 CC(C)[*:1] Cc1ccc(cc1NC(=O)N1CC[C@H](C1)OCC[*:1])C(=O)N(C)C
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[C@@H](OCCC(C)C)C1 CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)N1CC[C@H](C1)OCCC(C)C)[*:1]
CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 NC(=O)CNC(=O)[*:1] CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(cc1)[*:1]
CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 NC(=O)[*:1] CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(cc1)C(=O)NC[*:1]
CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 NC(=O)C[*:1] CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(cc1)C(=O)N[*:1]
CC(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c2cnn(c2n1)[*:1]
CC(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c2cnn(C(C)C)c2n1 CC(C)[*:1] CC(C)n1ncc2c(cc(nc21)[*:1])C(=O)N1CCS(=O)(=O)CC1
C#CCN(C(=O)NCC(CC)CC)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] CCC(CC)CNC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(C(=O)NCC(CC)CC)[C@@H]1CCS(=O)(=O)C1 CCC(CC)[*:1] C#CCN(C(=O)NC[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(C(=O)NCC(CC)CC)[C@@H]1CCS(=O)(=O)C1 CCC(CC)C[*:1] C#CCN(C(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
CCOc1ccc2c(C(=O)Nc3ccnn3[C@H](C)c3ccc(Cl)cc3)cc(=O)oc2c1 CCO[*:1] C[C@H](c1ccc(Cl)cc1)n1nccc1NC(=O)c1cc(=O)oc2cc(ccc12)[*:1]
CCOc1ccc2c(C(=O)Nc3ccnn3[C@H](C)c3ccc(Cl)cc3)cc(=O)oc2c1 Clc1ccc(cc1)[*:1] CCOc1ccc2c(cc(=O)oc2c1)C(=O)Nc1ccnn1[C@H](C)[*:1]
CSCc1ccc(NC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 C1CN(CCO1)[*:1] CSCc1ccc(cc1)NC(=O)NCc1cccc(c1)C[*:1]
CSCc1ccc(NC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 CSC[*:1] O=C(NCc1cccc(c1)CN1CCOCC1)Nc1ccc(cc1)[*:1]
CSCc1ccc(NC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 CSCc1ccc(cc1)[*:1] O=C(NCc1cccc(c1)CN1CCOCC1)N[*:1]
CSCc1ccc(NC(=O)NCc2cccc(CN3CCOCC3)c2)cc1 C1CN(CCO1)C[*:1] CSCc1ccc(cc1)NC(=O)NCc1cccc(c1)[*:1]
COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2)[*:1])[C@H]1c1ccccc1
COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2)[N+](=O)[O-])[C@@H]1[*:1]
COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccccc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccccc1
C[C@H]1CN(C(=O)c2cncn2-c2ccc(F)cc2)CCO1 Fc1ccc(cc1)[*:1] C[C@H]1CN(CCO1)C(=O)c1cncn1[*:1]
O=C(NCc1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)N1C(=O)c2ccccc2C1=O)N[*:1]
CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N2CCC[C@H]12 CCOC(=O)[*:1] O=C1Nc2ccc(cc2[C@]12C[C@H]([C@H]1CCCN12)[*:1])[N+](=O)[O-]
CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N2CCC[C@H]12 O=[N+]([O-])[*:1] CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3ccc(cc32)[*:1])N2CCC[C@H]12
Cc1ncc([C@@H](C)NC[C@@H](c2cccc(F)c2)N2CCOCC2)s1 Fc1cccc(c1)[*:1] Cc1ncc(s1)[C@@H](C)NC[C@@H](N1CCOCC1)[*:1]
Cc1ncc([C@@H](C)NC[C@@H](c2cccc(F)c2)N2CCOCC2)s1 C1CN(CCO1)[*:1] Cc1ncc(s1)[C@@H](C)NC[C@@H](c1cccc(F)c1)[*:1]
Cc1ncc([C@@H](C)NC[C@@H](c2cccc(F)c2)N2CCOCC2)s1 Cc1ncc(s1)[*:1] C[C@@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)[*:1]
COc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3cc(F)ccc3F)c2cc1OC Fc1ccc(F)c(c1)[*:1] COc1cc2c(=O)c(cn(CC(=O)N[*:1])c2cc1OC)C(=O)c1ccncc1
COc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3cc(F)ccc3F)c2cc1OC O=C(Nc1cc(F)ccc1F)[*:1] COc1cc2c(=O)c(cn(C[*:1])c2cc1OC)C(=O)c1ccncc1
COc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3cc(F)ccc3F)c2cc1OC O=C(c1ccncc1)[*:1] COc1cc2c(=O)c(cn(CC(=O)Nc3cc(F)ccc3F)c2cc1OC)[*:1]
COc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3cc(F)ccc3F)c2cc1OC c1cc(ccn1)[*:1] COc1cc2c(=O)c(cn(CC(=O)Nc3cc(F)ccc3F)c2cc1OC)C(=O)[*:1]
C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC1)Cc1nc(no1)[*:1]
N#CCCN(CCC(F)(F)F)CC1CCOCC1 FC(F)(F)CC[*:1] N#CCCN(CC1CCOCC1)[*:1]
N#CCCN(CCC(F)(F)F)CC1CCOCC1 N#CC[*:1] FC(F)(F)CCN(CC1CCOCC1)C[*:1]
N#CCCN(CCC(F)(F)F)CC1CCOCC1 C1CC(CCO1)[*:1] N#CCCN(CCC(F)(F)F)C[*:1]
N#CCCN(CCC(F)(F)F)CC1CCOCC1 FC(F)(F)[*:1] N#CCCN(CC[*:1])CC1CCOCC1
N#CCCN(CCC(F)(F)F)CC1CCOCC1 N#CCC[*:1] FC(F)(F)CCN(CC1CCOCC1)[*:1]
N#CCCN(CCC(F)(F)F)CC1CCOCC1 FC(F)(F)C[*:1] N#CCCN(CC1CCOCC1)C[*:1]
C[C@H](OC(=O)c1ccoc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 O=C(O[*:1])c1ccoc1 C[C@H](C(=O)Nc1sc2CCCCCc2c1C#N)[*:1]
C[C@H](OC(=O)c1ccoc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 c1cc(co1)[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1sc2CCCCCc2c1C#N
O=C(CC1(O)CCCCC1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 OC1(CCCCC1)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NC[C@@H]1CCCO1
O=C(CC1(O)CCCCC1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(CC1(O)CCCCC1)Nc1ccccc1C(=O)N[*:1]
O=C(CC1(O)CCCCC1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 OC1(CCCCC1)C[*:1] O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[*:1]
CCc1ccc(NC(=O)CSC2=NC(=O)C[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C#N)cc1 CCc1ccc(cc1)[*:1] N#C[C@H]1C(=NC(=O)C[C@H]1c1ccc(Cl)cc1Cl)SCC(=O)N[*:1]
CCc1ccc(NC(=O)CSC2=NC(=O)C[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C#N)cc1 Clc1ccc(c(Cl)c1)[*:1] CCc1ccc(cc1)NC(=O)CSC1=NC(=O)C[C@@H]([C@H]1C#N)[*:1]
Cc1ccccc1CC(=O)N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 C1CC1c1noc(n1)[*:1] Cc1ccccc1CC(=O)N1CCN(CC1)[C@@H](C)[*:1]
Cc1ccccc1CC(=O)N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 C1CC1[*:1] Cc1ccccc1CC(=O)N1CCN(CC1)[C@@H](C)c1nc(no1)[*:1]
Cc1ccccc1CC(=O)N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 Cc1ccccc1[*:1] C[C@@H](c1nc(no1)C1CC1)N1CCN(CC1)C(=O)C[*:1]
Cc1ccccc1CC(=O)N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 Cc1ccccc1C[*:1] C[C@@H](c1nc(no1)C1CC1)N1CCN(CC1)C(=O)[*:1]
O=C([O-])C1(Oc2cccc(F)c2)CCN(c2cc(NCCO)ncn2)CC1 Fc1cccc(c1)O[*:1] O=C([O-])C1(CCN(CC1)c1cc(ncn1)NCCO)[*:1]
O=C([O-])C1(Oc2cccc(F)c2)CCN(c2cc(NCCO)ncn2)CC1 OCC[*:1] O=C([O-])C1(CCN(CC1)c1cc(ncn1)N[*:1])Oc1cccc(F)c1
O=C([O-])C1(Oc2cccc(F)c2)CCN(c2cc(NCCO)ncn2)CC1 Fc1cccc(c1)[*:1] O=C([O-])C1(CCN(CC1)c1cc(ncn1)NCCO)O[*:1]
O=C([O-])C1(Oc2cccc(F)c2)CCN(c2cc(NCCO)ncn2)CC1 O=C([O-])[*:1] OCCNc1cc(ncn1)N1CCC(CC1)(Oc1cccc(F)c1)[*:1]
O=C([O-])C1(Oc2cccc(F)c2)CCN(c2cc(NCCO)ncn2)CC1 OCCN[*:1] O=C([O-])C1(CCN(CC1)c1cc(ncn1)[*:1])Oc1cccc(F)c1
Cc1cc(C)n2nc(C(=O)NCCS(=O)(=O)C(C)(C)C)nc2n1 CC(C)(C)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)NCCS(=O)(=O)[*:1]
Cc1cc(C)n2nc(C(=O)NCCS(=O)(=O)C(C)(C)C)nc2n1 CC(C)(C)S(=O)(=O)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)NCC[*:1]
COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(N3CCCCC3)nc(N)c21 C1CCN(CC1)[*:1] COc1ccccc1[C@@H]1C2C(=O)CCCC=2Nc2nc(nc(N)c21)[*:1]
COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(N3CCCCC3)nc(N)c21 COc1ccccc1[*:1] Nc1nc(nc2NC3CCCC(=O)C=3[C@H](c12)[*:1])N1CCCCC1
CCNC(=O)[C@]1(C)Sc2ccccc2N(C)C1=O CCNC(=O)[*:1] CN1C(=O)[C@](C)(Sc2ccccc21)[*:1]
CCN(Cc1ccccn1)C(=O)N[C@@H](c1ccccc1)c1ccco1 c1coc(c1)[*:1] CCN(Cc1ccccn1)C(=O)N[C@@H](c1ccccc1)[*:1]
CCN(Cc1ccccn1)C(=O)N[C@@H](c1ccccc1)c1ccco1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)N[C@@H](c1ccccc1)c1ccco1
CCN(Cc1ccccn1)C(=O)N[C@@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] CCN(Cc1ccccn1)C(=O)N[C@@H](c1ccco1)[*:1]
CCN(Cc1ccccn1)C(=O)N[C@@H](c1ccccc1)c1ccco1 c1ccc(C[*:1])nc1 CCN(C(=O)N[C@@H](c1ccccc1)c1ccco1)[*:1]
CCc1ccc(Nc2nn[nH]c2C(=O)NCc2cc(F)cc(F)c2)cc1 Fc1cc(F)cc(c1)[*:1] CCc1ccc(cc1)Nc1nn[nH]c1C(=O)NC[*:1]
CCc1ccc(Nc2nn[nH]c2C(=O)NCc2cc(F)cc(F)c2)cc1 CCc1ccc(cc1)[*:1] O=C(NCc1cc(F)cc(F)c1)c1[nH]nnc1N[*:1]
CC(C)[C@H](C)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 CC(C)[*:1] C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)[*:1]
CC(C)[C@H](C)[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 CC(C)[C@H](C)[*:1] C1C[C@H](C[C@@]2(CCSC2)O1)[NH2+][*:1]
CCCN/C([O-])=C(\C#N)C(=O)Cn1c(=O)n(CC)c2ccccc21 CCC[*:1] CCn1c(=O)n(CC(=O)/C(C#N)=C(\[O-])N[*:1])c2ccccc21
CCCN/C([O-])=C(\C#N)C(=O)Cn1c(=O)n(CC)c2ccccc21 CCCN[*:1] CCn1c(=O)n(CC(=O)/C(C#N)=C(\[O-])[*:1])c2ccccc21
Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCc2cc(Cl)ccc21 Cc1ccoc1[*:1] O=C(NCCC[NH2+][C@H]1CCc2cc(Cl)ccc21)[*:1]
CSc1ccc(C(=O)NNC(=O)CCC2CCCCC2)cn1 C1CCC(CC1)[*:1] CSc1ccc(cn1)C(=O)NNC(=O)CC[*:1]
CSc1ccc(C(=O)NNC(=O)CCC2CCCCC2)cn1 C1CCC(CC1)C[*:1] CSc1ccc(cn1)C(=O)NNC(=O)C[*:1]
CC(C)CCc1noc([C@@H](C[NH3+])CC(C)C)n1 CC(C)[*:1] CC(C)C[C@H](C[NH3+])c1nc(CC[*:1])no1
CC(C)CCc1noc([C@@H](C[NH3+])CC(C)C)n1 CC(C)CC[*:1] CC(C)C[C@H](C[NH3+])c1nc(no1)[*:1]
CC(C)CCc1noc([C@@H](C[NH3+])CC(C)C)n1 CC(C)[*:1] CC(C)CCc1noc(n1)[C@@H](C[NH3+])C[*:1]
CC(C)CCc1noc([C@@H](C[NH3+])CC(C)C)n1 CC(C)C[*:1] CC(C)CCc1noc(n1)[C@@H](C[NH3+])[*:1]
CC(C)CCc1noc([C@@H](C[NH3+])CC(C)C)n1 CC(C)C[*:1] CC(C)C[C@H](C[NH3+])c1nc(C[*:1])no1
CCc1nn(CC(=O)N2CCN(c3cccc(OC)c3)CC2)c(=O)c2cc3occc3n12 COc1cccc(c1)[*:1] CCc1nn(CC(=O)N2CCN(CC2)[*:1])c(=O)c2cc3occc3n12
C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H](C#N)C(=O)N2 c1ccc(cc1)C[*:1] C[C@@H]1CCCCN1c1nc2NC(=O)[C@H](C#N)[C@H](c3ccc(cc3)O[*:1])c2c(=O)[nH]1
C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H](C#N)C(=O)N2 c1ccc(cc1)CO[*:1] C[C@@H]1CCCCN1c1nc2NC(=O)[C@H](C#N)[C@H](c3ccc(cc3)[*:1])c2c(=O)[nH]1
C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H](C#N)C(=O)N2 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1c1nc2NC(=O)[C@H](C#N)[C@H](c3ccc(cc3)OC[*:1])c2c(=O)[nH]1
C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N N#Cc1cccnc1[*:1] C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1O[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N N#Cc1cccnc1O[*:1] C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1[*:1]
COc1c(Cl)ccc2sc(N3CC[NH+](CCNC(=O)c4cc5ccccc5oc4=O)CC3)nc12 O=c1oc2ccccc2cc1[*:1] COc1c(Cl)ccc2sc(nc12)N1CC[NH+](CCNC(=O)[*:1])CC1
Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 Clc1ccc(cc1)[*:1] Cc1cc(NC(=O)C(C)(C)O[*:1])n(n1)-c1nc2CCCc2c(=O)[nH]1
Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 Clc1ccc(cc1)O[*:1] Cc1cc(NC(=O)C(C)(C)[*:1])n(n1)-c1nc2CCCc2c(=O)[nH]1
Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 O=c1[nH]c(nc2CCCc21)[*:1] Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(n1)[*:1]
NC(=O)N[C@@H](CC(=O)Nc1cc(Cl)ccc1F)c1cccs1 c1csc(c1)[*:1] NC(=O)N[C@@H](CC(=O)Nc1cc(Cl)ccc1F)[*:1]
NC(=O)N[C@@H](CC(=O)Nc1cc(Cl)ccc1F)c1cccs1 NC(=O)N[*:1] O=C(C[C@@H](c1cccs1)[*:1])Nc1cc(Cl)ccc1F
CC(=O)NC1=NN(C(C)=O)[C@@](C)(CS(=O)(=O)c2ccc(Br)cc2)S1 Brc1ccc(cc1)[*:1] CC(=O)NC1=NN(C(C)=O)[C@@](C)(CS(=O)(=O)[*:1])S1
c1ccc(-c2nnn3c2nc(NCc2cccnc2)c2ccccc23)cc1 c1ccc(cc1)[*:1] c1cncc(c1)CNc1nc2c(nnn2c2ccccc12)[*:1]
c1ccc(-c2nnn3c2nc(NCc2cccnc2)c2ccccc23)cc1 c1cncc(c1)C[*:1] c1ccc(cc1)-c1nnn2c1nc(N[*:1])c1ccccc12
c1ccc(-c2nnn3c2nc(NCc2cccnc2)c2ccccc23)cc1 c1cncc(c1)[*:1] c1ccc(cc1)-c1nnn2c1nc(NC[*:1])c1ccccc12
c1ccc(-c2nnn3c2nc(NCc2cccnc2)c2ccccc23)cc1 c1cncc(c1)CN[*:1] c1ccc(cc1)-c1nnn2c1nc(c1ccccc12)[*:1]
Cn1ccc2cc(C(=O)Nc3cccnc3Oc3ccc4c(c3)OCO4)ccc21 c1cc2OCOc2cc1[*:1] Cn1ccc2cc(ccc21)C(=O)Nc1cccnc1O[*:1]
CCn1ccc2ccc([N-]S(=O)(=O)CC3CCC3)cc21 C1CC(C1)C[*:1] CCn1ccc2ccc(cc21)[N-]S(=O)(=O)[*:1]
CCn1ccc2ccc([N-]S(=O)(=O)CC3CCC3)cc21 C1CC(C1)[*:1] CCn1ccc2ccc(cc21)[N-]S(=O)(=O)C[*:1]
O=C(NCCNc1ncccc1F)c1cccnc1 c1cncc(c1)[*:1] O=C(NCCNc1ncccc1F)[*:1]
Cc1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)cs1 c1cncc(c1)C[*:1] Cc1nc(cs1)-c1ccc(s1)S(=O)(=O)N[*:1]
Cc1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)cs1 Cc1nc(cs1)[*:1] O=S(=O)(NCc1cccnc1)c1ccc(s1)[*:1]
Cc1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)cs1 c1cncc(c1)[*:1] Cc1nc(cs1)-c1ccc(s1)S(=O)(=O)NC[*:1]
COc1ccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 COc1ccc(cc1)C[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N[*:1])C(=O)c1cccc(Cl)c1
COc1ccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)CNC(=O)c1c(cc(=O)n2CCN(CCc12)C(=O)[*:1])OC
COc1ccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 COc1ccc(cc1)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)NC[*:1])C(=O)c1cccc(Cl)c1
CNC(=O)COC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 CNC(=O)C[*:1] O=C(O[*:1])c1ccc2c(c1)NC(=O)[C@@H]1CCCN21
CNC(=O)COC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 CNC(=O)[*:1] O=C(OC[*:1])c1ccc2c(c1)NC(=O)[C@@H]1CCCN21
CC(C)COc1cccc(Nc2ccc3nnnn3n2)c1 CC(C)[*:1] c1cc(cc(c1)OC[*:1])Nc1ccc2nnnn2n1
CC(C)COc1cccc(Nc2ccc3nnnn3n2)c1 CC(C)C[*:1] c1cc(cc(c1)O[*:1])Nc1ccc2nnnn2n1
CC(C)COc1cccc(Nc2ccc3nnnn3n2)c1 CC(C)CO[*:1] c1cc(cc(c1)[*:1])Nc1ccc2nnnn2n1
O=C(COc1ccc(Br)cc1)N[C@@H]1CCN(c2ccccc2Cl)C1=O Brc1ccc(cc1)[*:1] O=C(CO[*:1])N[C@@H]1CCN(C1=O)c1ccccc1Cl
O=C(COc1ccc(Br)cc1)N[C@@H]1CCN(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] O=C(COc1ccc(Br)cc1)N[C@@H]1CCN(C1=O)[*:1]
O=C(COc1ccc(Br)cc1)N[C@@H]1CCN(c2ccccc2Cl)C1=O Brc1ccc(cc1)O[*:1] O=C(C[*:1])N[C@@H]1CCN(C1=O)c1ccccc1Cl
CCCc1cc([O-])n2nc(C(=O)N3CCN(c4ccccc4)CC3)nc2n1 CCC[*:1] O=C(c1nc2nc(cc([O-])n2n1)[*:1])N1CCN(CC1)c1ccccc1
CCCc1cc([O-])n2nc(C(=O)N3CCN(c4ccccc4)CC3)nc2n1 c1ccc(cc1)[*:1] CCCc1cc([O-])n2nc(nc2n1)C(=O)N1CCN(CC1)[*:1]
CCNC(=O)C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 CCNC(=O)[*:1] C[C@@H](c1ccccc1)N1CC[C@@H](C1)[NH2+]C[*:1]
CCNC(=O)C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 c1ccc(cc1)[*:1] CCNC(=O)C[NH2+][C@H]1CCN(C1)[C@@H](C)[*:1]
CCNC(=O)C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 CCNC(=O)C[*:1] C[C@@H](c1ccccc1)N1CC[C@@H](C1)[NH2+][*:1]
CCC(=O)c1ccc(OCCCBr)cc1 CCC(=O)[*:1] BrCCCOc1ccc(cc1)[*:1]
CCC(=O)c1ccc(OCCCBr)cc1 BrCCCO[*:1] CCC(=O)c1ccc(cc1)[*:1]
CCC(=O)c1ccc(OCCCBr)cc1 BrCC[*:1] CCC(=O)c1ccc(cc1)OC[*:1]
CCC(=O)c1ccc(OCCCBr)cc1 BrCCC[*:1] CCC(=O)c1ccc(cc1)O[*:1]
CCCCC[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C)c1 CCC[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)N[C@@H](C)CC[*:1]
CCCCC[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C)c1 CCCCC[C@H](C)[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)N[*:1]
CCCCC[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C)c1 CCCC[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)N[C@@H](C)C[*:1]
CCCCC[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C)c1 CCCCC[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)N[C@@H](C)[*:1]
CCn1ncc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c1C CCn1ncc(c1C)[*:1] COC(=O)C1=C(C)N=c2sc(=C[*:1])c(=O)n2[C@@H]1c1ccccc1
CCn1ncc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c1C COC(=O)[*:1] CCn1ncc(/C=c2/sc3=NC(C)=C([C@@H](c4ccccc4)n3c2=O)[*:1])c1C
CCn1ncc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c1C c1ccc(cc1)[*:1] CCn1ncc(/C=c2/sc3=NC(C)=C(C(=O)OC)[C@@H](n3c2=O)[*:1])c1C
CN(C)C(=O)C1(CNC(=O)/C=C/c2cn(C)c3ccccc23)CCCC1 CN(C)C(=O)[*:1] Cn1cc(/C=C/C(=O)NCC2(CCCC2)[*:1])c2ccccc21
CCOCC(=O)Oc1ccc(C2CCCCC2)cc1 CCOC[*:1] O=C(Oc1ccc(cc1)C1CCCCC1)[*:1]
CCOCC(=O)Oc1ccc(C2CCCCC2)cc1 C1CCC(CC1)[*:1] CCOCC(=O)Oc1ccc(cc1)[*:1]
CCOCC(=O)Oc1ccc(C2CCCCC2)cc1 CCO[*:1] O=C(C[*:1])Oc1ccc(cc1)C1CCCCC1
C[C@@H]1CN(C(=O)CSC[C@H](O)CO)CCO1 OC[C@@H](O)[*:1] C[C@@H]1CN(CCO1)C(=O)CSC[*:1]
C[C@@H]1CN(C(=O)CSC[C@H](O)CO)CCO1 OC[C@@H](O)C[*:1] C[C@@H]1CN(CCO1)C(=O)CS[*:1]
CC(C)CNC(=O)NC(=O)CN(C)Cc1nccn1C(F)F CC(C)[*:1] CN(CC(=O)NC(=O)NC[*:1])Cc1nccn1C(F)F
CC(C)CNC(=O)NC(=O)CN(C)Cc1nccn1C(F)F CC(C)C[*:1] CN(CC(=O)NC(=O)N[*:1])Cc1nccn1C(F)F
CC(C)CNC(=O)NC(=O)CN(C)Cc1nccn1C(F)F FC(F)[*:1] CC(C)CNC(=O)NC(=O)CN(C)Cc1nccn1[*:1]
COc1nc(Cl)ncc1C(F)(F)F FC(F)(F)[*:1] COc1nc(Cl)ncc1[*:1]
O=C(CCCNC(=O)c1cccs1)NC1CCCCCCC1 c1csc(c1)[*:1] O=C(CCCNC(=O)[*:1])NC1CCCCCCC1
CCSc1ccccc1C(=O)NCCN1CCN(c2nc3c(C)cccc3s2)CC1 CCS[*:1] Cc1cccc2sc(nc12)N1CCN(CCNC(=O)c2ccccc2[*:1])CC1
CCSc1ccccc1C(=O)NCCN1CCN(c2nc3c(C)cccc3s2)CC1 Cc1cccc2sc(nc12)[*:1] CCSc1ccccc1C(=O)NCCN1CCN(CC1)[*:1]
CCSc1ccccc1C(=O)NCCN1CCN(c2nc3c(C)cccc3s2)CC1 CCSc1ccccc1[*:1] Cc1cccc2sc(nc12)N1CCN(CCNC(=O)[*:1])CC1
Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(OC(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)CNC(=O)c1cn[nH]c1[*:1]
Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(OC(C)C)cc2)cc1 CC(C)O[*:1] Cc1ccc(cc1)-c1[nH]ncc1C(=O)NCc1ccc(cc1)[*:1]
Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(OC(C)C)cc2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1[nH]ncc1C(=O)NCc1ccc(cc1)O[*:1]
[O-]/C(=N\c1nc(-c2ccccc2Cl)n[nH]1)c1ccc(Br)cc1Cl Clc1ccccc1[*:1] [O-]/C(=N\c1nc(n[nH]1)[*:1])c1ccc(Br)cc1Cl
CCCC[C@@H](CCc1ccc2c(c1)CCO2)[NH2+]C CCC[*:1] C[NH2+][C@H](CCc1ccc2OCCc2c1)C[*:1]
CCCC[C@@H](CCc1ccc2c(c1)CCO2)[NH2+]C CCCC[*:1] C[NH2+][C@H](CCc1ccc2OCCc2c1)[*:1]
CC[C@@H](C(=O)N1CCN(C)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O COc1ccc(cc1)[*:1] CC[C@@H](C(=O)N1CCN(C)CC1)N(S(C)(=O)=O)[*:1]
O=C(/C=C/c1cccs1)NCC1CCN(C(=O)c2cccnc2)CC1 c1csc(c1)[*:1] O=C(C=C[*:1])NCC1CCN(CC1)C(=O)c1cccnc1
O=C(/C=C/c1cccs1)NCC1CCN(C(=O)c2cccnc2)CC1 C(=C[*:1])c1cccs1 O=C(c1cccnc1)N1CCC(CC1)CNC(=O)[*:1]
O=C(/C=C/c1cccs1)NCC1CCN(C(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] O=C(/C=C/c1cccs1)NCC1CCN(CC1)C(=O)[*:1]
CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4cn(C)nc4C)CC3)noc2n1 FC(F)(F)[*:1] CCc1cc(c2c(noc2n1)C1CCN(CC1)C(=O)c1cn(C)nc1C)[*:1]
CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4cn(C)nc4C)CC3)noc2n1 Cc1nn(C)cc1[*:1] CCc1cc(c2c(noc2n1)C1CCN(CC1)C(=O)[*:1])C(F)(F)F
CC[C@@H]([NH2+][C@H](C)CCO)c1cc(C)ccc1OC OCC[*:1] CC[C@@H]([NH2+][C@H](C)[*:1])c1cc(C)ccc1OC
C[C@H]1CCC[C@@](NC(=O)N2CCO[C@H](C#N)C2)(C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CCC[C@](C1)(NC(=O)N1CCO[C@H](C#N)C1)[*:1]
CC(C)Cc1cc(C(=O)N[C@@H](CO)C(N)=O)n(C)n1 CC(C)C[*:1] Cn1nc(cc1C(=O)N[C@@H](CO)C(N)=O)[*:1]
CC(C)Cc1cc(C(=O)N[C@@H](CO)C(N)=O)n(C)n1 NC(=O)[*:1] CC(C)Cc1cc(C(=O)N[C@@H](CO)[*:1])n(C)n1
CC(C)Cc1cc(C(=O)N[C@@H](CO)C(N)=O)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)N[C@@H](CO)C(N)=O)C[*:1]
CC(C)Cc1cc(C(=O)N[C@@H](CO)C(N)=O)n(C)n1 NC(=O)[C@H](CO)[*:1] CC(C)Cc1cc(C(=O)N[*:1])n(C)n1
O=C(NCCSCc1ccc(F)cc1)c1c(F)cccc1Cl Fc1ccc(cc1)[*:1] O=C(NCCSC[*:1])c1c(F)cccc1Cl
CC[C@]1(c2ccc(NC(=O)CCc3cnn(-c4ccccc4)c3)cc2)CCC(=O)NC1=O c1ccc(cc1)[*:1] CC[C@@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)CCc1cnn(c1)[*:1]
COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2cc[nH]c2n1 FC(F)(F)[*:1] COc1ccc(cc1NC(=O)c1ccc2cc[nH]c2n1)[*:1]
CSc1ccc(CN(C)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 CSc1ccc(cc1)[*:1] CN(C[*:1])C(=O)NC[C@H](c1ccccc1)[NH+](C)C
CSc1ccc(CN(C)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)CN(C)C(=O)NC[C@H]([NH+](C)C)[*:1]
C[S@](=O)Cc1cccc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)c1 C[S@](=O)C[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H]1c1cccc(Br)c1
C[S@](=O)Cc1cccc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] C[S@](=O)Cc1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
Cc1nc([C@H](C)NC(=O)NCCOc2ncccc2Cl)cs1 Clc1cccnc1[*:1] Cc1nc(cs1)[C@H](C)NC(=O)NCCO[*:1]
Cc1nc([C@H](C)NC(=O)NCCOc2ncccc2Cl)cs1 Cc1nc(cs1)[*:1] C[C@H](NC(=O)NCCOc1ncccc1Cl)[*:1]
Cc1nc(C[S@@](=O)CCCOc2ccc(F)cc2)sc1C Fc1ccc(cc1)[*:1] Cc1nc(C[S@@](=O)CCCO[*:1])sc1C
Cc1nc(C[S@@](=O)CCCOc2ccc(F)cc2)sc1C Cc1nc(sc1C)[*:1] O=[S@@](CCCOc1ccc(F)cc1)C[*:1]
COc1ccc(OC)c(NC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 COc1ccc(OC)c(c1)[*:1] Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[*:1])c(C)c3cc12
O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cc(Cl)ccc1O O=[N+]([O-])[*:1] O=C(c1cnn(c1)-c1ccc(cc1[*:1])[N+](=O)[O-])c1cc(Cl)ccc1O
O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cc(Cl)ccc1O O=[N+]([O-])[*:1] O=C(c1cnn(c1)-c1ccc(cc1[N+](=O)[O-])[*:1])c1cc(Cl)ccc1O
O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cc(Cl)ccc1O Oc1ccc(Cl)cc1[*:1] O=C(c1cnn(c1)-c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[*:1]
Cc1cc(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)n[nH]1 Cc1cc(C[*:1])n[nH]1 O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[*:1]
Cc1cc(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)n[nH]1 Cc1cc(n[nH]1)[*:1] O=C(C[*:1])N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
Cc1cc(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)n[nH]1 FC(F)(F)[*:1] Cc1cc(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2[*:1])n[nH]1
CC(C)Oc1ccc([C@@]2(C(C)C)CCC[NH2+]2)cc1 CC(C)[*:1] CC(C)Oc1ccc(cc1)[C@]1(CCC[NH2+]1)[*:1]
CC(C)Oc1ccc([C@@]2(C(C)C)CCC[NH2+]2)cc1 CC(C)[*:1] CC(C)[C@@]1(CCC[NH2+]1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@@]2(C(C)C)CCC[NH2+]2)cc1 CC(C)O[*:1] CC(C)[C@@]1(CCC[NH2+]1)c1ccc(cc1)[*:1]
Cc1nsc(N2CCN([C@@H](C)c3nc(-c4ccccc4C)no3)CC2)n1 Cc1ccccc1[*:1] Cc1nsc(n1)N1CCN(CC1)[C@@H](C)c1nc(no1)[*:1]
Cc1nsc(N2CCN([C@@H](C)c3nc(-c4ccccc4C)no3)CC2)n1 Cc1nsc(n1)[*:1] Cc1ccccc1-c1noc(n1)[C@H](C)N1CCN(CC1)[*:1]
CC(C)NC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 CC(C)[*:1] CC(C)NC(=O)C(=O)Nc1sc2CCCCc2c1C(=O)O[*:1]
CC(C)NC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 CC(C)OC(=O)[*:1] CC(C)NC(=O)C(=O)Nc1sc2CCCCc2c1[*:1]
CC(C)NC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 CC(C)[*:1] CC(C)OC(=O)c1c(NC(=O)C(=O)N[*:1])sc2CCCCc21
COc1ccc([C@@H](O)[C@@H](C)NC(=O)CCc2cnn(C)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(cnn1C)CCC(=O)N[C@H](C)[C@H](O)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)CCc2cnn(C)c2C)cc1 Cc1c(cnn1C)C[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)C[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)CCc2cnn(C)c2C)cc1 Cc1c(cnn1C)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)CC[*:1]
Cc1cc(C)c(NC(=O)[C@H](C)S(=O)(=O)c2ccccc2C)c(C)c1 Cc1ccccc1[*:1] Cc1cc(C)c(NC(=O)[C@H](C)S(=O)(=O)[*:1])c(C)c1
CNC(=O)[C@H](C)CN(C)C(=O)CNC(=O)c1ccccc1C CNC(=O)[*:1] Cc1ccccc1C(=O)NCC(=O)N(C)C[C@@H](C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)CNC(=O)c1ccccc1C Cc1ccccc1[*:1] CNC(=O)[C@H](C)CN(C)C(=O)CNC(=O)[*:1]
CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1c(C)nn(C)c1C c1ccc(cc1)[*:1] CC[C@H](NC(=O)[C@@H]1C[C@H]1[*:1])c1c(C)nn(C)c1C
CNC(=O)CC1CCN(/C(=C/C#N)c2ccccc2)CC1 CNC(=O)C[*:1] N#C/C=C(\c1ccccc1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(/C(=C/C#N)c2ccccc2)CC1 CNC(=O)[*:1] N#C/C=C(\c1ccccc1)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(/C(=C/C#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] CNC(=O)CC1CCN(CC1)/C(=C/C#N)[*:1]
Cc1nnc(SCC(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)s1 Cc1nnc(s1)[*:1] CC(C)c1ccc(cc1)N[C@@H]1CCCN(C1)C(=O)CS[*:1]
Cc1nnc(SCC(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)s1 CC(C)[*:1] Cc1nnc(SCC(=O)N2CCC[C@H](C2)Nc2ccc(cc2)[*:1])s1
Cc1nnc(SCC(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)s1 Cc1nnc(S[*:1])s1 CC(C)c1ccc(cc1)N[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1nnc(SCC(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)s1 Cc1nnc(SC[*:1])s1 CC(C)c1ccc(cc1)N[C@@H]1CCCN(C1)C(=O)[*:1]
CCOc1cc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)ccc1OCc1ccccc1Cl Clc1ccccc1C[*:1] CCOc1cc(/C=C2\SC(=O)N(C2=O)c2cccc(O)c2)ccc1O[*:1]
CCOc1cc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)ccc1OCc1ccccc1Cl CCO[*:1] O=C1S/C(=C\c2ccc(OCc3ccccc3Cl)c(c2)[*:1])C(=O)N1c1cccc(O)c1
CCOc1cc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)ccc1OCc1ccccc1Cl Clc1ccccc1CO[*:1] CCOc1cc(/C=C2\SC(=O)N(C2=O)c2cccc(O)c2)ccc1[*:1]
CCOc1cc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)ccc1OCc1ccccc1Cl Clc1ccccc1[*:1] CCOc1cc(/C=C2\SC(=O)N(C2=O)c2cccc(O)c2)ccc1OC[*:1]
CCOc1cc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)ccc1OCc1ccccc1Cl Oc1cccc(c1)[*:1] CCOc1cc(/C=C2\SC(=O)N(C2=O)[*:1])ccc1OCc1ccccc1Cl
CCCCCn1c(=O)oc(=O)c2cc(Cl)ccc21 CCCCC[*:1] O=c1oc(=O)n(c2ccc(Cl)cc12)[*:1]
CCCCCn1c(=O)oc(=O)c2cc(Cl)ccc21 CCCC[*:1] O=c1oc(=O)n(C[*:1])c2ccc(Cl)cc12
CCCCCn1c(=O)oc(=O)c2cc(Cl)ccc21 CCC[*:1] O=c1oc(=O)n(CC[*:1])c2ccc(Cl)cc12
c1cnc(Nc2cccc(OC[C@H]3CCCO3)c2)nc1 C1CO[C@H](C1)[*:1] c1cnc(nc1)Nc1cccc(c1)OC[*:1]
c1cnc(Nc2cccc(OC[C@H]3CCCO3)c2)nc1 C1CO[C@H](C1)C[*:1] c1cnc(nc1)Nc1cccc(c1)O[*:1]
c1cnc(Nc2cccc(OC[C@H]3CCCO3)c2)nc1 c1cnc(nc1)[*:1] c1cc(cc(c1)OC[C@H]1CCCO1)N[*:1]
Cc1ccc(S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 Cc1ccc(nn1)[*:1] CC(C)(C)OC(=O)N1CC[C@@H](C1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 CC(C)(C)[*:1] Cc1ccc(nn1)S(=O)(=O)[C@H]1CCN(C1)C(=O)O[*:1]
CN(CCO)c1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12 CN(CCO)[*:1] O=[N+]([O-])c1cc(c2cccnc2c1[*:1])[N+](=O)[O-]
CN(CCO)c1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12 O=[N+]([O-])[*:1] CN(CCO)c1c(cc(c2cccnc12)[N+](=O)[O-])[*:1]
CN(CCO)c1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12 O=[N+]([O-])[*:1] CN(CCO)c1c(cc(c2cccnc12)[*:1])[N+](=O)[O-]
CN(CCO)c1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12 OCC[*:1] CN(c1c(cc(c2cccnc12)[N+](=O)[O-])[N+](=O)[O-])[*:1]
Cn1cc(-c2nn3c(-c4ccc(Br)cc4F)nnc3s2)cn1 Cn1cc(cn1)[*:1] Fc1cc(Br)ccc1-c1nnc2sc(nn12)[*:1]
CCS[C@@H](C(=O)NCc1nc(-c2ccco2)n[nH]1)C(C)C c1coc(c1)[*:1] CCS[C@@H](C(=O)NCc1nc(n[nH]1)[*:1])C(C)C
CCS[C@@H](C(=O)NCc1nc(-c2ccco2)n[nH]1)C(C)C CC(C)[*:1] CCS[C@@H](C(=O)NCc1nc(n[nH]1)-c1ccco1)[*:1]
CCS[C@@H](C(=O)NCc1nc(-c2ccco2)n[nH]1)C(C)C CCS[*:1] CC(C)[C@H](C(=O)NCc1nc(n[nH]1)-c1ccco1)[*:1]
Cc1ccc(NC(=O)CS[C@@H]2N=NC(=O)[C@H]3C=C(c4ccc(C(C)C)cc4)NN23)cc1F CC(C)c1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)CS[C@@H]1N=NC(=O)[C@H]2C=C(NN12)[*:1]
Cc1ccc(NC(=O)CS[C@@H]2N=NC(=O)[C@H]3C=C(c4ccc(C(C)C)cc4)NN23)cc1F CC(C)[*:1] Cc1ccc(cc1F)NC(=O)CS[C@@H]1N=NC(=O)[C@H]2C=C(NN12)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CS[C@@H]2N=NC(=O)[C@H]3C=C(c4ccc(C(C)C)cc4)NN23)cc1F Cc1ccc(cc1F)[*:1] CC(C)c1ccc(cc1)C1=C[C@@H]2C(=O)N=N[C@@H](SCC(=O)N[*:1])N2N1
CC(C)OC(=O)N1CCC([NH2+][C@H]2CCCc3sccc32)CC1 CC(C)[*:1] O=C(O[*:1])N1CCC(CC1)[NH2+][C@H]1CCCc2sccc21
CCOC[C@@H]1CCCN(C(=O)NCCCn2cc(C)cn2)C1 Cc1cnn(c1)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)NCCC[*:1]
CCOC[C@@H]1CCCN(C(=O)NCCCn2cc(C)cn2)C1 CCO[*:1] Cc1cnn(c1)CCCNC(=O)N1CCC[C@H](C1)C[*:1]
CCOC[C@@H]1CCCN(C(=O)NCCCn2cc(C)cn2)C1 Cc1cnn(c1)C[*:1] CCOC[C@@H]1CCCN(C1)C(=O)NCC[*:1]
CCOC[C@@H]1CCCN(C(=O)NCCCn2cc(C)cn2)C1 CCOC[*:1] Cc1cnn(c1)CCCNC(=O)N1CCC[C@H](C1)[*:1]
N#Cc1ccccc1C[NH+]1CCC(NC(N)=O)CC1 NC(=O)N[*:1] N#Cc1ccccc1C[NH+]1CCC(CC1)[*:1]
Cc1cccc(NC(=O)C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1C Cc1cccc(c1C)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CN1CC[NH+](CC1)CC(=O)N[*:1]
C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc32)[C@@H]1C O=S(=O)(N1CCCCC1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)COc3ccc(cc32)[*:1])[C@@H]1C
CCCCS[C@H](C)C(=O)Nc1cccc2cn[nH]c12 CCCC[*:1] C[C@@H](S[*:1])C(=O)Nc1cccc2cn[nH]c12
CCCCS[C@H](C)C(=O)Nc1cccc2cn[nH]c12 CCC[*:1] C[C@@H](SC[*:1])C(=O)Nc1cccc2cn[nH]c12
CCCCS[C@H](C)C(=O)Nc1cccc2cn[nH]c12 CCCCS[*:1] C[C@H](C(=O)Nc1cccc2cn[nH]c12)[*:1]
O=C(NCCc1ccc(Cl)cc1Cl)C1CCN(C(=O)NCc2ccco2)CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)NCc1ccco1
O=C(NCCc1ccc(Cl)cc1Cl)C1CCN(C(=O)NCc2ccco2)CC1 Clc1ccc(C[*:1])c(Cl)c1 O=C(NC[*:1])C1CCN(CC1)C(=O)NCc1ccco1
O=C(NCCc1ccc(Cl)cc1Cl)C1CCN(C(=O)NCc2ccco2)CC1 c1coc(c1)C[*:1] O=C(NCCc1ccc(Cl)cc1Cl)C1CCN(CC1)C(=O)N[*:1]
O=C(NCCc1ccc(Cl)cc1Cl)C1CCN(C(=O)NCc2ccco2)CC1 c1coc(c1)[*:1] O=C(NCCc1ccc(Cl)cc1Cl)C1CCN(CC1)C(=O)NC[*:1]
CCC(CC)(CNc1c(C)c(C)nc2ncnn12)S(C)(=O)=O CS(=O)(=O)[*:1] CCC(CC)(CNc1c(C)c(C)nc2ncnn12)[*:1]
CC[NH2+][C@@H](c1c(C)cc[nH+]c1N)[C@H]1CSCCS1 C1CS[C@H](CS1)[*:1] CC[NH2+][C@@H](c1c(C)cc[nH+]c1N)[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 O=[N+]([O-])[*:1] O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(cc1)NS(=O)(=O)c1ccccc1[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 O=[N+]([O-])c1ccccc1[*:1] O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(cc1)NS(=O)(=O)[*:1]
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)C(=O)Nc2cccnc2Cl)C1 Clc1ncccc1[*:1] C[C@H]1C[C@H](c2ccccc2F)N(C1)C(=O)C(=O)N[*:1]
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)C(=O)Nc2cccnc2Cl)C1 Fc1ccccc1[*:1] C[C@H]1C[C@H](N(C1)C(=O)C(=O)Nc1cccnc1Cl)[*:1]
COc1ccccc1N1CC[C@H](N2CCN(c3[nH+]ccn3C)CC2)C1=O COc1ccccc1[*:1] Cn1cc[nH+]c1N1CCN(CC1)[C@H]1CCN(C1=O)[*:1]
C[C@H](Br)[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] C[C@H](Br)[C@H]1CCC[C@H](C1)[*:1]
C[C@H](Br)[C@H]1CCC[C@H](C(F)(F)F)C1 C[C@H](Br)[*:1] FC(F)(F)[C@H]1CCC[C@@H](C1)[*:1]
Cc1ccc(C(=O)NCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 Cc1ccc(s1)[*:1] O=C(CNC(=O)[*:1])NC1CC[NH+](CC1)Cc1ccccc1
Cc1ccc(C(=O)NCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)NCC(=O)NC1CC[NH+](CC1)C[*:1]
Cc1ccc(C(=O)NCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 c1ccc(cc1)C[*:1] Cc1ccc(s1)C(=O)NCC(=O)NC1CC[NH+](CC1)[*:1]
CS(=O)(=O)c1ccccc1NC(=O)N[C@@H]1CCCc2ccccc21 CS(=O)(=O)[*:1] O=C(Nc1ccccc1[*:1])N[C@@H]1CCCc2ccccc21
CCOc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3nc(SCC)nn32)cc1 COC(=O)[*:1] CCOc1ccc(cc1)[C@H]1C(=C(C)Nc2nc(nn21)SCC)[*:1]
CCOc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3nc(SCC)nn32)cc1 CCO[*:1] CCSc1nc2NC(C)=C(C(=O)OC)[C@H](c3ccc(cc3)[*:1])n2n1
CCOc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3nc(SCC)nn32)cc1 CCS[*:1] CCOc1ccc(cc1)[C@H]1C(C(=O)OC)=C(C)Nc2nc(nn21)[*:1]
CC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@H]([NH2+]Cc1cccc2OCCCOc12)[*:1]
COCc1ccccc1C(=O)N1CCC1 COC[*:1] O=C(c1ccccc1[*:1])N1CCC1
Cc1c([O-])nc(CCNC(=O)c2cccs2)[nH]c1=O c1csc(c1)[*:1] Cc1c([O-])nc(CCNC(=O)[*:1])[nH]c1=O
C[C@@]1(C2CC2)NC(=O)N(CC(=O)OC/C=C/c2ccccc2)C1=O C(=C[*:1])c1ccccc1 C[C@]1(NC(=O)N(CC(=O)OC[*:1])C1=O)C1CC1
C[C@@]1(C2CC2)NC(=O)N(CC(=O)OC/C=C/c2ccccc2)C1=O C1CC1[*:1] C[C@]1(NC(=O)N(CC(=O)OC/C=C/c2ccccc2)C1=O)[*:1]
C[C@@]1(C2CC2)NC(=O)N(CC(=O)OC/C=C/c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)OCC=C[*:1])C1=O)C1CC1
CC[NH+]1CCC(N(C)c2cccc(F)c2C(N)=S)CC1 NC(=S)[*:1] CC[NH+]1CCC(CC1)N(C)c1cccc(F)c1[*:1]
CCC(C)(CC)NC(=O)c1ccc2c(c1)OCO2 CCC(C)(CC)[*:1] O=C(N[*:1])c1ccc2OCOc2c1
CC[NH+](CC)C[C@H]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 c1ccc(cc1)C[*:1] CC[NH+](CC)C[C@H]1CCN(C1)[C@@H]1CCCN(C1=O)[*:1]
CC[NH+](CC)C[C@H]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 c1ccc(cc1)[*:1] CC[NH+](CC)C[C@H]1CCN(C1)[C@@H]1CCCN(C[*:1])C1=O
c1ccc(-c2ccc(C[NH2+][C@H]3CCOC3)o2)cc1 c1ccc(cc1)[*:1] c1cc(oc1C[NH2+][C@H]1CCOC1)[*:1]
CCC[C@H]1Nc2ccc(I)cc2NC1=O CCC[*:1] O=C1Nc2cc(I)ccc2N[C@@H]1[*:1]
CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1 Clc1ccc(cc1)[*:1] CNC(=O)C(=C[*:1])NC(=O)c1ccc(C)cc1
CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(cc1)C(=O)N/C(=C/c1ccc(Cl)cc1)[*:1]
CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)[*:1]
CCCCn1c(C)c(CC(=O)N2CCC[C@H](O)C2)c2c1CCCC2=O CCCC[*:1] Cc1c(CC(=O)N2CCC[C@H](O)C2)c2C(=O)CCCc2n1[*:1]
CCCCn1c(C)c(CC(=O)N2CCC[C@H](O)C2)c2c1CCCC2=O CCC[*:1] Cc1c(CC(=O)N2CCC[C@H](O)C2)c2C(=O)CCCc2n1C[*:1]
Cc1nsc(N)c1-c1nc([C@@H]2C[C@@H]2C)no1 C[C@H]1C[C@H]1[*:1] Cc1nsc(N)c1-c1nc(no1)[*:1]
CC(C)NC(=O)c1cc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)nc2ccccc12 CN(C)[*:1] CC(C)NC(=O)c1cc(nc2ccccc12)[C@H]1CN(CCO1)Cc1cnc(nc1)[*:1]
CC(C)NC(=O)c1cc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)nc2ccccc12 CC(C)[*:1] CN(C)c1ncc(cn1)CN1CCO[C@H](C1)c1cc(C(=O)N[*:1])c2ccccc2n1
CC(C)NC(=O)c1cc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)nc2ccccc12 CN(C)c1ncc(cn1)[*:1] CC(C)NC(=O)c1cc(nc2ccccc12)[C@H]1CN(CCO1)C[*:1]
CC(C)NC(=O)c1cc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)nc2ccccc12 CN(C)c1ncc(cn1)C[*:1] CC(C)NC(=O)c1cc(nc2ccccc12)[C@H]1CN(CCO1)[*:1]
CC(C)NC(=O)c1cc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)nc2ccccc12 CC(C)NC(=O)[*:1] CN(C)c1ncc(cn1)CN1CCO[C@H](C1)c1cc(c2ccccc2n1)[*:1]
CCC[C@@H]1CN(C(=O)c2ccc3nc(C)c(C)nc3c2)C[C@H]1NC(C)=O CCC[*:1] CC(=O)N[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccc2nc(C)c(C)nc2c1
CCC[C@@H]1CN(C(=O)c2ccc3nc(C)c(C)nc3c2)C[C@H]1NC(C)=O CC(=O)N[*:1] CCC[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1ccc2nc(C)c(C)nc2c1
Cc1csc([C@H]2CCCCN2C(=O)[C@@H]2CCOc3ccccc32)n1 Cc1csc(n1)[*:1] O=C([C@@H]1CCOc2ccccc21)N1CCCC[C@@H]1[*:1]
C[C@H](C(=O)NC[C@@H](C)c1cccs1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)NC[C@@H](C)c1cccs1)[*:1]
C[C@H](C(=O)NC[C@@H](C)c1cccs1)c1ccsc1 c1csc(c1)[*:1] C[C@H](C(=O)NC[C@@H](C)[*:1])c1ccsc1
CCNC(=O)NC1CCC(OC(=O)c2ccc(Cl)cc2Cl)CC1 CCNC(=O)N[*:1] O=C(OC1CCC(CC1)[*:1])c1ccc(Cl)cc1Cl
O=c1cc(CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)[nH+]c2sccn12 Clc1ccc(cc1)[*:1] O=c1cc(CN2CCN(CC2)Cc2nc(no2)[*:1])[nH+]c2sccn12
Cc1cn2c(=O)c(S(=O)(=O)NC3CCCCC3)c(C)nc2s1 C1CCC(CC1)[*:1] Cc1cn2c(=O)c(c(C)nc2s1)S(=O)(=O)N[*:1]
Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@@H](O)COc2ccc(Cl)cc2)n(C)c1=O Clc1ccc(cc1)O[*:1] Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@@H](O)C[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@@H](O)COc2ccc(Cl)cc2)n(C)c1=O Clc1ccc(cc1)OC[*:1] Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@@H](O)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@@H](O)COc2ccc(Cl)cc2)n(C)c1=O Clc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@@H](O)CO[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N3CCCC3)n2C[C@@H](O)COc2ccc(Cl)cc2)n(C)c1=O C1CCN(C1)[*:1] Cn1c(=O)c2c(nc(n2C[C@@H](O)COc2ccc(Cl)cc2)[*:1])n(C)c1=O
CCOc1ccc2sc(NC(=O)CSc3nnc(-c4ccccc4)n3C)nc2c1 c1ccc(cc1)[*:1] CCOc1ccc2sc(nc2c1)NC(=O)CSc1nnc(n1C)[*:1]
CCOc1ccc2sc(NC(=O)CSc3nnc(-c4ccccc4)n3C)nc2c1 CCO[*:1] Cn1c(nnc1-c1ccccc1)SCC(=O)Nc1nc2cc(ccc2s1)[*:1]
Cc1ccc(N(Cc2ccccc2)C(=O)[C@H](C)S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)N(Cc1ccccc1)C(=O)[C@H](C)[*:1]
Cc1ccc(N(Cc2ccccc2)C(=O)[C@H](C)S(C)(=O)=O)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)N(C(=O)[C@H](C)S(C)(=O)=O)[*:1]
Cc1ccc(N(Cc2ccccc2)C(=O)[C@H](C)S(C)(=O)=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N(C[*:1])C(=O)[C@H](C)S(C)(=O)=O
Cc1ccc(N(Cc2ccccc2)C(=O)[C@H](C)S(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)N(Cc1ccccc1)[*:1])S(C)(=O)=O
COc1ccc(C[C@@H](C)OC(=O)c2cccn2C)cc1 Cn1cccc1[*:1] COc1ccc(cc1)C[C@@H](C)OC(=O)[*:1]
CCN(CC)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1Cl CCN(CC)C(=O)[*:1] O=C(Nc1ccccc1Cl)[C@H]1CC=CC[C@H]1[*:1]
CCN(CC)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] CCN(CC)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[*:1]
Cn1cc([C@H]2CCCN2C(=O)c2cccc3c2OCO3)cn1 Cn1cc(cn1)[*:1] O=C(c1cccc2OCOc21)N1CCC[C@@H]1[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cccc2C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)Cn1cccc1[*:1]
C[C@H](Sc1ncnc2ccccc12)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Sc1ncnc2ccccc12)C(=O)N[*:1]
C[C@H](Sc1ncnc2ccccc12)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Sc1ncnc2ccccc12)C(=O)NC[*:1]
Cc1c(NCc2ccc(-c3ccc(Cl)cc3)o2)cccc1C(=O)[O-] Clc1ccc(cc1)[*:1] Cc1c(cccc1C(=O)[O-])NCc1ccc(o1)[*:1]
Cc1c(NCc2ccc(-c3ccc(Cl)cc3)o2)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])NCc1ccc(o1)-c1ccc(Cl)cc1
[NH3+]C[C@@H](Cc1cccc(Cl)c1)C[C@H]1COc2ccccc21 Clc1cccc(c1)[*:1] [NH3+]C[C@H](C[C@H]1COc2ccccc21)C[*:1]
N#Cc1ccc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)cc1 N#Cc1ccc(cc1)[*:1] O[C@@H](CO[*:1])CN1CCN(CC1)c1ccccc1F
N#Cc1ccc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] N#Cc1ccc(cc1)OC[C@H](O)CN1CCN(CC1)[*:1]
Cc1cccc(Nc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)s2)c1 Cc1cccc(c1)[*:1] O=C1CN(C(=O)CSc2nnc(N[*:1])s2)c2ccccc2N1
Cc1cccc(Nc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)s2)c1 Cc1cccc(c1)N[*:1] O=C1CN(C(=O)CSc2nnc(s2)[*:1])c2ccccc2N1
C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(Cl)nc2)C[C@@H](C)O1 Clc1ccc(cn1)[*:1] C[C@@H]1CN(Cc2ccccc2NC(=O)[*:1])C[C@@H](C)O1
CC[C@@H](Cc1ccccc1)NC(=O)CNC(N)=O c1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)CNC(N)=O
CC[C@@H](Cc1ccccc1)NC(=O)CNC(N)=O NC(=O)N[*:1] CC[C@@H](Cc1ccccc1)NC(=O)C[*:1]
CC[C@@H](Cc1ccccc1)NC(=O)CNC(N)=O NC(=O)NC[*:1] CC[C@@H](Cc1ccccc1)NC(=O)[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1 COc1ccccc1[*:1] CC(C)CNC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1 CC(C)CNC(=O)[*:1] COc1ccccc1NS(=O)(=O)c1ccc(cc1)[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1 CC(C)[*:1] COc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1 CC(C)C[*:1] COc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
COC(=O)C1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 COC(=O)[*:1] C[C@@H](CC(=O)N1CCC(CC1)[*:1])c1ccccc1
COC(=O)C1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)C[C@H](C)[*:1]
Cc1ccc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)nn1 Cc1ccc(nn1)N[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1cc(F)cc(F)c1
Cc1ccc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)nn1 Fc1cc(F)cc(c1)[*:1] Cc1ccc(nn1)Nc1ccc(cc1)NC(=O)N[*:1]
Cc1ccc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)nn1 Cc1ccc(nn1)[*:1] O=C(Nc1ccc(cc1)N[*:1])Nc1cc(F)cc(F)c1
CC(C)n1cc(Br)cc1C(=O)N1CCOC(C)(C)C1 CC(C)[*:1] CC1(C)CN(CCO1)C(=O)c1cc(Br)cn1[*:1]
FC(F)(F)c1ccnc(Oc2ccc3oc4ccccc4c3c2)n1 FC(F)(F)[*:1] c1ccc2c(c1)oc1ccc(cc12)Oc1nccc(n1)[*:1]
Cc1c(N[C@@H]2c3ccccc3C[C@H]2O)nn2c(C(F)(F)F)nnc2c1C FC(F)(F)[*:1] Cc1c(nn2c(nnc2c1C)[*:1])N[C@@H]1c2ccccc2C[C@H]1O
COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C)c1 COc1cccc(c1)[*:1] Cc1ccccc1[C@@H]1CC(=O)NC2C[C@H](CC(=O)C=21)[*:1]
COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C)c1 Cc1ccccc1[*:1] COc1cccc(c1)[C@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2[*:1]
COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccccc5F)C4)sc3n2)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)-c1cn2nc(sc2n1)N1CCC[C@H](C1)C(=O)N[*:1]
COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccccc5F)C4)sc3n2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccccc1F)[C@@H]1CCCN(C1)c1nn2cc(nc2s1)[*:1]
COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccccc5F)C4)sc3n2)cc1 O=C(NCc1ccccc1F)[*:1] COc1ccc(cc1)-c1cn2nc(sc2n1)N1CCC[C@@H](C1)[*:1]
COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccccc5F)C4)sc3n2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-c1cn2nc(sc2n1)N1CCC[C@H](C1)C(=O)NC[*:1]
N#Cc1ccc(CN2CCN(Cc3ncccc3C(F)(F)F)CC2=O)cc1 N#Cc1ccc(cc1)[*:1] O=C1CN(CCN1C[*:1])Cc1ncccc1C(F)(F)F
N#Cc1ccc(CN2CCN(Cc3ncccc3C(F)(F)F)CC2=O)cc1 N#Cc1ccc(cc1)C[*:1] O=C1CN(CCN1[*:1])Cc1ncccc1C(F)(F)F
N#Cc1ccc(CN2CCN(Cc3ncccc3C(F)(F)F)CC2=O)cc1 FC(F)(F)[*:1] N#Cc1ccc(cc1)CN1CCN(CC1=O)Cc1ncccc1[*:1]
O=C(Nc1cc([O-])nc2nc(C(F)(F)F)nn12)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(Nc1cc([O-])nc2nc(nn12)[*:1])c1ccc(F)cc1
O=C(Nc1cc([O-])nc2nc(C(F)(F)F)nn12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1cc([O-])nc2nc(nn12)C(F)(F)F)[*:1]
Cc1nc(CNC(=O)C[C@@H](C)CCc2ccccc2)sc1C c1ccc(cc1)C[*:1] Cc1nc(CNC(=O)C[C@@H](C)C[*:1])sc1C
Cc1nc(CNC(=O)C[C@@H](C)CCc2ccccc2)sc1C c1ccc(cc1)[*:1] Cc1nc(CNC(=O)C[C@@H](C)CC[*:1])sc1C
Cc1nc(CNC(=O)C[C@@H](C)CCc2ccccc2)sc1C Cc1nc(sc1C)[*:1] C[C@@H](CCc1ccccc1)CC(=O)NC[*:1]
O=S(=O)(c1cccc2cccnc12)N1CCOc2ccc(COCc3cccc(F)c3)cc2C1 Fc1cccc(c1)C[*:1] O=S(=O)(c1cccc2cccnc12)N1CCOc2ccc(cc2C1)CO[*:1]
O=S(=O)(c1cccc2cccnc12)N1CCOc2ccc(COCc3cccc(F)c3)cc2C1 Fc1cccc(c1)CO[*:1] O=S(=O)(c1cccc2cccnc12)N1CCOc2ccc(cc2C1)C[*:1]
O=S(=O)(c1cccc2cccnc12)N1CCOc2ccc(COCc3cccc(F)c3)cc2C1 c1cnc2c(cccc2c1)[*:1] O=S(=O)(N1CCOc2ccc(cc2C1)COCc1cccc(F)c1)[*:1]
O=S(=O)(c1cccc2cccnc12)N1CCOc2ccc(COCc3cccc(F)c3)cc2C1 Fc1cccc(c1)[*:1] O=S(=O)(c1cccc2cccnc12)N1CCOc2ccc(cc2C1)COC[*:1]
O=S(=O)(c1cccc2cccnc12)N1CCOc2ccc(COCc3cccc(F)c3)cc2C1 Fc1cccc(c1)COC[*:1] O=S(=O)(c1cccc2cccnc12)N1CCOc2ccc(cc2C1)[*:1]
O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccc(F)cc4)cs3)o2)cc1 O=[N+]([O-])[*:1] Fc1ccc(cc1)-c1csc(n1)SCc1nnc(o1)-c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccc(F)cc4)cs3)o2)cc1 Fc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nnc(CSc2nc(cs2)[*:1])o1
O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccc(F)cc4)cs3)o2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Fc1ccc(cc1)-c1csc(n1)SCc1nnc(o1)[*:1]
CCOc1ccc(S(=O)(=O)NCCc2ccccn2)cc1 c1ccc(C[*:1])nc1 CCOc1ccc(cc1)S(=O)(=O)NC[*:1]
CCOc1ccc(S(=O)(=O)NCCc2ccccn2)cc1 c1ccc(nc1)[*:1] CCOc1ccc(cc1)S(=O)(=O)NCC[*:1]
CCOc1ccc(S(=O)(=O)NCCc2ccccn2)cc1 CCO[*:1] O=S(=O)(NCCc1ccccn1)c1ccc(cc1)[*:1]
O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](Cn1cncn1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](Cn1cncn1)[*:1]
O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(n1)[*:1] O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](C[*:1])c1ccccc1
O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](Cn1cncn1)c1ccccc1 c1ncn(C[*:1])n1 O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](c1ccccc1)[*:1]
O=C(CSc1ncc(-c2ccc(Br)cc2)o1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(CSc1ncc(o1)-c1ccc(Br)cc1)N[*:1]
O=C(CSc1ncc(-c2ccc(Br)cc2)o1)NC[C@H]1CCCO1 Brc1ccc(cc1)[*:1] O=C(CSc1ncc(o1)[*:1])NC[C@H]1CCCO1
O=C(CSc1ncc(-c2ccc(Br)cc2)o1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(CSc1ncc(o1)-c1ccc(Br)cc1)NC[*:1]
CC[NH2+]C[C@@H](C)c1c(C)nn(Cc2cccc(C)c2)c1C Cc1cccc(c1)[*:1] CC[NH2+]C[C@@H](C)c1c(C)nn(C[*:1])c1C
C[C@H](NC(=O)N(C)[C@@H](C)c1ccccn1)c1cccc(-n2cccn2)c1 C[C@@H](c1ccccn1)[*:1] C[C@H](NC(=O)N(C)[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)N(C)[C@@H](C)c1ccccn1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)N(C)[C@@H](C)c1ccccn1)c1cccc(c1)[*:1]
C[C@H](NC(=O)N(C)[C@@H](C)c1ccccn1)c1cccc(-n2cccn2)c1 c1ccc(nc1)[*:1] C[C@H](NC(=O)N(C)[C@@H](C)[*:1])c1cccc(c1)-n1cccn1
Cc1cc(OCC(=O)NC(=S)Nc2ccc(Br)cc2)ccc1C(C)C Brc1ccc(cc1)[*:1] Cc1cc(ccc1C(C)C)OCC(=O)NC(=S)N[*:1]
Cc1cc(OCC(=O)NC(=S)Nc2ccc(Br)cc2)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCC(=O)NC(=S)Nc1ccc(Br)cc1
O=C(NCCCN1CCOCC1)c1c([O-])n2c3c(cccc3c1=O)CCC2 C1CN(CCO1)C[*:1] O=C(NCC[*:1])c1c([O-])n2CCCc3cccc(c1=O)c32
O=C(NCCCN1CCOCC1)c1c([O-])n2c3c(cccc3c1=O)CCC2 C1CN(CCO1)[*:1] O=C(NCCC[*:1])c1c([O-])n2CCCc3cccc(c1=O)c32
O=C(NCCCN1CCOCC1)c1c([O-])n2c3c(cccc3c1=O)CCC2 C1CN(CCO1)CC[*:1] O=C(NC[*:1])c1c([O-])n2CCCc3cccc(c1=O)c32
O=C(NCCCN1CCOCC1)c1c([O-])n2c3c(cccc3c1=O)CCC2 C(CN1CCOCC1)C[*:1] O=C(N[*:1])c1c([O-])n2CCCc3cccc(c1=O)c32
CNC(=O)c1ccc(NC(=O)[C@H]2COc3ccc(F)cc3C2)cc1Cl CNC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])[C@H]1COc2ccc(F)cc2C1
COc1cccc(CCNC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 COc1cccc(c1)CC[*:1] O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)N[*:1]
COc1cccc(CCNC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 COc1cccc(c1)C[*:1] O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)NC[*:1]
COc1cccc(CCNC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 COc1cccc(c1)[*:1] O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)NCC[*:1]
CCOc1cccc(N2C(=O)C[C@H](N3CC[NH+](CC)CC3)C2=O)c1 CCO[*:1] CC[NH+]1CCN(CC1)[C@H]1CC(=O)N(C1=O)c1cccc(c1)[*:1]
Fc1cccc(N2CCCC2)c1C[NH2+]CCc1cccnc1 c1cncc(c1)[*:1] Fc1cccc(c1C[NH2+]CC[*:1])N1CCCC1
Fc1cccc(N2CCCC2)c1C[NH2+]CCc1cccnc1 c1cncc(c1)C[*:1] Fc1cccc(c1C[NH2+]C[*:1])N1CCCC1
Fc1cccc(N2CCCC2)c1C[NH2+]CCc1cccnc1 C1CCN(C1)[*:1] Fc1cccc(c1C[NH2+]CCc1cccnc1)[*:1]
NNC(=O)NC12CC3CC(CC(C3)C1)C2 NNC(=O)N[*:1] C1C2CC3CC1CC(C2)(C3)[*:1]
COc1ccc(NC(=O)CCn2c(=O)sc3cc(S(=O)(=O)N4CCCCCC4)ccc32)cc1 COc1ccc(cc1)[*:1] O=C(CCn1c(=O)sc2cc(ccc21)S(=O)(=O)N1CCCCCC1)N[*:1]
COc1ccc(NC(=O)CCn2c(=O)sc3cc(S(=O)(=O)N4CCCCCC4)ccc32)cc1 O=S(=O)(N1CCCCCC1)[*:1] COc1ccc(cc1)NC(=O)CCn1c(=O)sc2cc(ccc21)[*:1]
COc1ccc(NC(=O)CCn2c(=O)sc3cc(S(=O)(=O)N4CCCCCC4)ccc32)cc1 COc1ccc(cc1)NC(=O)[*:1] O=c1sc2cc(ccc2n1CC[*:1])S(=O)(=O)N1CCCCCC1
COC(=O)c1cn(CC(=O)Nc2cccc(C(C)=O)c2)nn1 COC(=O)[*:1] CC(=O)c1cccc(c1)NC(=O)Cn1cc(nn1)[*:1]
COC(=O)c1cn(CC(=O)Nc2cccc(C(C)=O)c2)nn1 CC(=O)[*:1] COC(=O)c1cn(CC(=O)Nc2cccc(c2)[*:1])nn1
O=C(NC(=S)NC1CCCC1)C12CC3CC(CC(C3)C1)C2 C1CCC(C1)[*:1] O=C(NC(=S)N[*:1])C12CC3CC(CC(C3)C1)C2
C[C@H](C(=O)N1CCSC[C@H]1c1ccccc1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)N1CCSC[C@H]1c1ccccc1)[*:1]
C[C@H](C(=O)N1CCSC[C@H]1c1ccccc1)c1ccsc1 C[C@H](c1ccsc1)[*:1] O=C(N1CCSC[C@H]1c1ccccc1)[*:1]
C[C@H](C(=O)N1CCSC[C@H]1c1ccccc1)c1ccsc1 c1ccc(cc1)[*:1] C[C@H](C(=O)N1CCSC[C@@H]1[*:1])c1ccsc1
CC[C@H](NC(=O)NC1CCCC1)C(=O)N1CCOCC1 C1CCC(C1)[*:1] CC[C@H](NC(=O)N[*:1])C(=O)N1CCOCC1
C[C@@H]1CN(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 c1cc2OCCOc2cc1[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)COC(=O)c1ccccc1NS(=O)(=O)[*:1]
C[C@@H](NCCc1nc(-c2ccc(Cl)cc2)no1)c1cccs1 c1csc(c1)[*:1] C[C@@H](NCCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
C[C@@H](NCCc1nc(-c2ccc(Cl)cc2)no1)c1cccs1 Clc1ccc(cc1)[*:1] C[C@@H](NCCc1nc(no1)[*:1])c1cccs1
C[C@@H](NCCc1nc(-c2ccc(Cl)cc2)no1)c1cccs1 C[C@@H](c1cccs1)[*:1] Clc1ccc(cc1)-c1noc(CCN[*:1])n1
C[C@H]1C[C@H]([NH+]2CCN(C3CC3)CC2)CC(C)(C)C1 C1CC1[*:1] C[C@H]1C[C@@H](CC(C)(C)C1)[NH+]1CCN(CC1)[*:1]
CC(=O)Nc1nc(C(=O)NC2(C(N)=O)CCCCC2)cs1 CC(=O)N[*:1] NC(=O)C1(CCCCC1)NC(=O)c1csc(n1)[*:1]
CC(=O)Nc1nc(C(=O)NC2(C(N)=O)CCCCC2)cs1 NC(=O)[*:1] CC(=O)Nc1nc(cs1)C(=O)NC1(CCCCC1)[*:1]
CNC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F FC(F)[*:1] CNC(=O)/C=C/c1ccc(cc1OC(F)F)O[*:1]
CNC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F FC(F)O[*:1] CNC(=O)/C=C/c1ccc(cc1OC(F)F)[*:1]
CNC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F CNC(=O)[*:1] FC(F)Oc1ccc(C=C[*:1])c(c1)OC(F)F
CNC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F CNC(=O)C=C[*:1] FC(F)Oc1ccc(c(c1)OC(F)F)[*:1]
CNC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F FC(F)O[*:1] CNC(=O)/C=C/c1ccc(cc1[*:1])OC(F)F
CNC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F FC(F)[*:1] CNC(=O)/C=C/c1ccc(cc1O[*:1])OC(F)F
COC(OC)C(=O)Cc1ccc(Br)cc1 COC(OC)[*:1] O=C(Cc1ccc(Br)cc1)[*:1]
Cc1ccnc([C@H](NC(=O)c2ccc3ccn(C)c3c2)C2CC2)c1 C1CC1[*:1] Cc1ccnc(c1)[C@H](NC(=O)c1ccc2ccn(C)c2c1)[*:1]
Cc1ccnc([C@H](NC(=O)c2ccc3ccn(C)c3c2)C2CC2)c1 Cc1ccnc(c1)[*:1] Cn1ccc2ccc(cc21)C(=O)N[C@H](C1CC1)[*:1]
Cc1nc(C(C)C)sc1[C@H](C)N[C@@H](C)[C@@H]1COc2ccccc21 CC(C)[*:1] Cc1nc(sc1[C@H](C)N[C@@H](C)[C@@H]1COc2ccccc21)[*:1]
O=C(N/N=C/c1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(N/N=C/c1ccc(cc1)C(=O)[O-])C(=O)N[*:1]
O=C(N/N=C/c1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(Br)c1 O=C([O-])[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])C(=O)Nc1cccc(Br)c1
COC(=O)c1cc(C#N)c(=O)n(Cc2ncc(-c3cccs3)o2)c1 COC(=O)[*:1] N#Cc1cc(cn(Cc2ncc(o2)-c2cccs2)c1=O)[*:1]
COC(=O)c1cc(C#N)c(=O)n(Cc2ncc(-c3cccs3)o2)c1 c1csc(c1)[*:1] COC(=O)c1cc(C#N)c(=O)n(c1)Cc1ncc(o1)[*:1]
O=C(COc1cccc(Br)c1)Nc1nnc([C@@H]2CCCO2)s1 Brc1cccc(c1)[*:1] O=C(CO[*:1])Nc1nnc(s1)[C@@H]1CCCO1
Cc1csc(C/C(N)=N\OCC(=O)Nc2ccc(C(C)C)cc2)n1 CC(C)[*:1] Cc1csc(C/C(N)=N\OCC(=O)Nc2ccc(cc2)[*:1])n1
Cc1csc(C/C(N)=N\OCC(=O)Nc2ccc(C(C)C)cc2)n1 Cc1csc(n1)[*:1] CC(C)c1ccc(cc1)NC(=O)CO/N=C(/N)C[*:1]
Cc1csc(C/C(N)=N\OCC(=O)Nc2ccc(C(C)C)cc2)n1 Cc1csc(C[*:1])n1 CC(C)c1ccc(cc1)NC(=O)CO/N=C(/N)[*:1]
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Br c1ccc(cc1)[*:1] Cc1ccc(cc1Br)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Br Cc1ccc(cc1Br)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)[*:1]
Cc1nn(-c2ccc(C(=O)NO[C@@H]3CCCCO3)cc2)c(C)c1Br Cc1nn(c(C)c1Br)[*:1] O=C(NO[C@@H]1CCCCO1)c1ccc(cc1)[*:1]
O=C(C[NH+]1CCN(Cc2ccccc2F)CC1)Nc1ccccc1Cl Fc1ccccc1C[*:1] O=C(C[NH+]1CCN(CC1)[*:1])Nc1ccccc1Cl
O=C(C[NH+]1CCN(Cc2ccccc2F)CC1)Nc1ccccc1Cl Fc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])Nc1ccccc1Cl
O=C(C[NH+]1CCN(Cc2ccccc2F)CC1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)Cc1ccccc1F)N[*:1]
Cc1ccc(N2C(=O)c3cnc4c(c(-c5cccnc5)nn4C)c3C2=O)c(F)c1 Cc1ccc(c(F)c1)[*:1] Cn1nc(-c2cccnc2)c2c3C(=O)N(C(=O)c3cnc21)[*:1]
Cc1ccc(N2C(=O)c3cnc4c(c(-c5cccnc5)nn4C)c3C2=O)c(F)c1 c1cncc(c1)[*:1] Cc1ccc(c(F)c1)N1C(=O)c2cnc3c(c(nn3C)[*:1])c2C1=O
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-])[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1cc(Br)cc(c1[O-])[N+](=O)[O-])[C@H](O)[*:1]
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-])[C@H](O)c1ccccc1 O=[N+]([O-])[*:1] O=C(N/N=C/c1cc(Br)cc(c1[O-])[*:1])[C@H](O)c1ccccc1
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-])[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] O=C(N/N=C/c1cc(Br)cc(c1[O-])[N+](=O)[O-])[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)NCC1(O)CCCCCC1 CC(C)OC(=O)[*:1] C[C@H](CNC(=O)NCC1(O)CCCCCC1)[*:1]
CC(C)OC(=O)[C@H](C)CNC(=O)NCC1(O)CCCCCC1 CC(C)[*:1] C[C@H](CNC(=O)NCC1(O)CCCCCC1)C(=O)O[*:1]
Cc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)C(=O)OCC(=O)N[*:1]
Cc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)C(=O)OCC(=O)NC[*:1]
CCCN/C(NCc1ccc2cc(OC)ccc2c1)=[NH+]\C CCC[*:1] C/[NH+]=C(/NCc1ccc2cc(ccc2c1)OC)N[*:1]
CCC[C@H](C)C(=O)[C@@H](C)CC CCC[*:1] CC[C@H](C)C(=O)[C@@H](C)[*:1]
COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C)c2C)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(NC(=O)C(=O)NC[C@H]([NH+]2CCCC2)[*:1])c1C
COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C)c2C)[NH+]2CCCC2)cc1 Cc1cccc(c1C)[*:1] COc1ccc(cc1)[C@H](CNC(=O)C(=O)N[*:1])[NH+]1CCCC1
Cc1ncsc1C(=O)NNC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 Cc1ncsc1[*:1] CC1(C)CC[C@H](CNC(=O)NNC(=O)[*:1])c2ccccc21
CCc1ccc(CNC(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)s1 CCc1ccc(C[*:1])s1 COc1ccc(cc1)[C@H](NC(=O)N[*:1])C1CCOCC1
CCc1ccc(CNC(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)s1 COc1ccc(cc1)[*:1] CCc1ccc(CNC(=O)N[C@@H](C2CCOCC2)[*:1])s1
CCc1ccc(CNC(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)s1 C1CC(CCO1)[*:1] CCc1ccc(CNC(=O)N[C@@H](c2ccc(cc2)OC)[*:1])s1
CCc1ccc(CNC(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)s1 CCc1ccc(s1)[*:1] COc1ccc(cc1)[C@H](NC(=O)NC[*:1])C1CCOCC1
Cn1cc([C@@H](CNC(=O)N[C@@H]2CCC[C@@H]2CO)[NH+](C)C)cn1 Cn1cc(cn1)[*:1] C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1CO)[*:1]
Cn1cc([C@@H](CNC(=O)N[C@@H]2CCC[C@@H]2CO)[NH+](C)C)cn1 OC[C@H]1CCC[C@H]1[*:1] Cn1cc(cn1)[C@@H](CNC(=O)N[*:1])[NH+](C)C
COc1ccc(C(=O)N2CCC(OCc3ccccc3C)CC2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)OC[*:1]
COc1ccc(C(=O)N2CCC(OCc3ccccc3C)CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N2CCC(OCc3ccccc3C)CC2)cc1 Cc1ccccc1C[*:1] COc1ccc(cc1)C(=O)N1CCC(CC1)O[*:1]
COc1cccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CC[NH+]3CC(C)C)c1 COc1cccc(c1)[*:1] CC(C)C[NH+]1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
COc1cccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CC[NH+]3CC(C)C)c1 CC(C)C[*:1] COc1cccc(c1)C(=O)N1CCC2(CC1)c1nc[nH]c1CC[NH+]2[*:1]
COc1cccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CC[NH+]3CC(C)C)c1 CC(C)[*:1] COc1cccc(c1)C(=O)N1CCC2(CC1)c1nc[nH]c1CC[NH+]2C[*:1]
CCCCOc1ccc(C(=O)n2c([O-])c3ccccc3nc2=S)cc1 CCCC[*:1] O=C(c1ccc(cc1)O[*:1])n1c([O-])c2ccccc2nc1=S
CCCCOc1ccc(C(=O)n2c([O-])c3ccccc3nc2=S)cc1 CCCCO[*:1] O=C(c1ccc(cc1)[*:1])n1c([O-])c2ccccc2nc1=S
CCCCOc1ccc(C(=O)n2c([O-])c3ccccc3nc2=S)cc1 CCC[*:1] O=C(c1ccc(cc1)OC[*:1])n1c([O-])c2ccccc2nc1=S
CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(C(C)=O)ccc3OC)C(=O)[C@@H]12 COc1ccc(cc1[*:1])C(C)=O CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(C(=O)[C@@H]12)[*:1]
CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(C(C)=O)ccc3OC)C(=O)[C@@H]12 CC(=O)[*:1] CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(C(=O)[C@@H]12)c1cc(ccc1OC)[*:1]
c1coc(CN2CCO[C@@H](c3cccs3)C2)c1 c1csc(c1)[*:1] c1coc(c1)CN1CCO[C@@H](C1)[*:1]
c1coc(CN2CCO[C@@H](c3cccs3)C2)c1 c1coc(c1)[*:1] c1csc(c1)[C@H]1CN(CCO1)C[*:1]
CN(C)C(=O)[C@H]1CN(Cc2cccc(O)c2)CCN1 CN(C)C(=O)[*:1] Oc1cccc(c1)CN1CCN[C@H](C1)[*:1]
O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 Fc1ccc(cc1)[*:1] O=C1C[C@@H](CC2Nc3ccccc3N[C@H](C=21)c1cccnc1)[*:1]
O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 c1cncc(c1)[*:1] O=C1C[C@H](CC2Nc3ccccc3N[C@@H](C=21)[*:1])c1ccc(F)cc1
Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@H](C)C(=O)N(C)C)cc1 CC(C)c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)C(=C[*:1])N=C1S[C@H](C)C(=O)N(C)C
Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@H](C)C(=O)N(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)N1C(=O)/C(=C/c2ccc(cc2)[*:1])N=C1S[C@H](C)C(=O)N(C)C
Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@H](C)C(=O)N(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)c1ccc(/C=C2\N=C(S[C@H](C)C(=O)N(C)C)N(C2=O)[*:1])cc1
Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@H](C)C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] Cc1ccc(cc1)N1C(=O)/C(=C/c2ccc(cc2)C(C)C)N=C1S[C@H](C)[*:1]
CCOCC(=O)NNC(=O)c1cc(C(C)C)nc2ccccc12 CCO[*:1] CC(C)c1cc(C(=O)NNC(=O)C[*:1])c2ccccc2n1
CCOCC(=O)NNC(=O)c1cc(C(C)C)nc2ccccc12 CC(C)[*:1] CCOCC(=O)NNC(=O)c1cc(nc2ccccc12)[*:1]
CCOCC(=O)NNC(=O)c1cc(C(C)C)nc2ccccc12 CCOC[*:1] CC(C)c1cc(C(=O)NNC(=O)[*:1])c2ccccc2n1
Cc1ccccc1OC1CN(C(=O)COc2ccc(-n3cnnn3)cc2)C1 Cc1ccccc1O[*:1] O=C(COc1ccc(cc1)-n1cnnn1)N1CC(C1)[*:1]
Cc1ccccc1OC1CN(C(=O)COc2ccc(-n3cnnn3)cc2)C1 c1nnnn1[*:1] Cc1ccccc1OC1CN(C1)C(=O)COc1ccc(cc1)[*:1]
Cc1ccccc1OC1CN(C(=O)COc2ccc(-n3cnnn3)cc2)C1 Cc1ccccc1[*:1] O=C(COc1ccc(cc1)-n1cnnn1)N1CC(C1)O[*:1]
COc1cc(C[NH+](C)Cc2cc(C)on2)cc(Cl)c1OC Cc1cc(C[*:1])no1 COc1cc(cc(Cl)c1OC)C[NH+](C)[*:1]
COc1cc(C[NH+](C)Cc2cc(C)on2)cc(Cl)c1OC Cc1cc(no1)[*:1] COc1cc(cc(Cl)c1OC)C[NH+](C)C[*:1]
O=C(NCC1(O)CCSCC1)c1ccc(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(NCC1(O)CCSCC1)c1ccc(Cl)cc1[*:1]
O=C(NCC1(O)CCSCC1)c1ccc(Cl)cc1[N+](=O)[O-] OC1(CCSCC1)[*:1] O=C(NC[*:1])c1ccc(Cl)cc1[N+](=O)[O-]
O=C(c1csc(Nc2ncccn2)n1)N1CC[NH+](C2CCCCC2)CC1 c1cnc(nc1)[*:1] O=C(c1csc(n1)N[*:1])N1CC[NH+](CC1)C1CCCCC1
O=C(c1csc(Nc2ncccn2)n1)N1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(c1csc(n1)Nc1ncccn1)N1CC[NH+](CC1)[*:1]
O=C(c1csc(Nc2ncccn2)n1)N1CC[NH+](C2CCCCC2)CC1 c1cnc(nc1)N[*:1] O=C(c1csc(n1)[*:1])N1CC[NH+](CC1)C1CCCCC1
CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1CCCS(C)(=O)=O CS(=O)(=O)CCC[*:1] CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1[*:1]
CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1CCCS(C)(=O)=O CS(=O)(=O)CC[*:1] CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C[*:1]
CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1CCCS(C)(=O)=O CS(=O)(=O)C[*:1] CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1CC[*:1]
CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1CCCS(C)(=O)=O CS(=O)(=O)[*:1] CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1CCC[*:1]
CC(=O)Nc1cccc(NC(=O)N[C@H]2CCCC2(C)C)c1 CC(=O)N[*:1] CC1(C)CCC[C@@H]1NC(=O)Nc1cccc(c1)[*:1]
OCC1(C[NH2+][C@H]2CCOc3c(Cl)cccc32)COC1 OCC1(COC1)[*:1] Clc1cccc2c1OCC[C@@H]2[NH2+]C[*:1]
COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)cc1 C1CC1[*:1] COc1ccc(cc1)C(=O)[C@H]1CCCN(C1)C(=O)c1cc(n[nH]1)[*:1]
COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)cc1 COc1ccc(cc1)[*:1] O=C(c1cc(n[nH]1)C1CC1)N1CCC[C@@H](C1)C(=O)[*:1]
COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)cc1 c1c(n[nH]c1[*:1])C1CC1 COc1ccc(cc1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
C[C@H](CCc1cccn1C)NC(=O)N[C@H]1CCC[C@@H]1CO Cn1cccc1[*:1] C[C@H](CC[*:1])NC(=O)N[C@H]1CCC[C@@H]1CO
C[C@H](CCc1cccn1C)NC(=O)N[C@H]1CCC[C@@H]1CO Cn1cccc1C[*:1] C[C@H](C[*:1])NC(=O)N[C@H]1CCC[C@@H]1CO
C[C@H](CCc1cccn1C)NC(=O)N[C@H]1CCC[C@@H]1CO OC[C@H]1CCC[C@@H]1[*:1] C[C@H](CCc1cccn1C)NC(=O)N[*:1]
O=C(NCCc1ccc(Cl)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)C[*:1] O=C(NC[*:1])C1(CCCC1)S(=O)(=O)c1ccc(Cl)cc1
O=C(NCCc1ccc(Cl)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)CC[*:1] O=C(N[*:1])C1(CCCC1)S(=O)(=O)c1ccc(Cl)cc1
O=C(NCCc1ccc(Cl)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)[*:1] O=C(NCCc1ccc(Cl)cc1)C1(CCCC1)S(=O)(=O)[*:1]
O=C(NCCc1ccc(Cl)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)[*:1] O=C(NCC[*:1])C1(CCCC1)S(=O)(=O)c1ccc(Cl)cc1
COc1ccccc1NC(=O)CCS(=O)(=O)c1nccs1 c1csc(n1)[*:1] COc1ccccc1NC(=O)CCS(=O)(=O)[*:1]
COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1cnc2ccc(C)cn12 c1ccc(cc1)[*:1] COC(=O)[C@@](C)(CO[*:1])NC(=O)c1cnc2ccc(C)cn12
COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1cnc2ccc(C)cn12 COC(=O)[*:1] Cc1ccc2ncc(C(=O)N[C@@](C)(COc3ccccc3)[*:1])n2c1
COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1cnc2ccc(C)cn12 c1ccc(cc1)OC[*:1] COC(=O)[C@@](C)(NC(=O)c1cnc2ccc(C)cn12)[*:1]
COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1cnc2ccc(C)cn12 c1ccc(cc1)O[*:1] COC(=O)[C@@](C)(C[*:1])NC(=O)c1cnc2ccc(C)cn12
Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cccc(OC(F)F)c1 FC(F)O[*:1] Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cccc(c1)[*:1]
Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cccc(OC(F)F)c1 FC(F)[*:1] Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cccc(c1)O[*:1]
CCOC[C@H]1CCN(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)C1 CCOC[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)C1 COc1ccc(cc1)[*:1] CCOC[C@H]1CCN(C1)C(=O)NCC1(CCOCC1)[*:1]
CCOC[C@H]1CCN(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)C1 CCO[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)N1CC[C@@H](C1)C[*:1]
Cc1ocnc1CNC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 Clc1ccccc1[*:1] Cc1ocnc1CNC(=O)N1CC[C@H](C1)O[*:1]
Cc1ocnc1CNC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 Cc1ocnc1C[*:1] O=C(N[*:1])N1CC[C@H](C1)Oc1ccccc1Cl
Cc1ocnc1CNC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 Cc1ocnc1[*:1] O=C(NC[*:1])N1CC[C@H](C1)Oc1ccccc1Cl
CNS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CNS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CNS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 CNS(=O)(=O)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-c1ccc(F)cc1
CNS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 CNS(=O)(=O)C[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-c1ccc(F)cc1
O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(-n2cncn2)cc1 c1ccc(nc1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1ccc(cc1)-n1cncn1
O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(cc1)[*:1]
O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(-n2cncn2)cc1 c1ccc(cc1)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])c1ccc(cc1)-n1cncn1
C[C@@H](CC(=O)N(C)c1ccccc1S(C)(=O)=O)C(C)(C)C CC(C)(C)[*:1] C[C@@H](CC(=O)N(C)c1ccccc1S(C)(=O)=O)[*:1]
C[C@@H](CC(=O)N(C)c1ccccc1S(C)(=O)=O)C(C)(C)C C[C@@H](C[*:1])C(C)(C)C CN(C(=O)[*:1])c1ccccc1S(C)(=O)=O
C[C@@H](CC(=O)N(C)c1ccccc1S(C)(=O)=O)C(C)(C)C CS(=O)(=O)[*:1] C[C@@H](CC(=O)N(C)c1ccccc1[*:1])C(C)(C)C
C[C@@H](CC(=O)N(C)c1ccccc1S(C)(=O)=O)C(C)(C)C C[C@@H](C(C)(C)C)[*:1] CN(C(=O)C[*:1])c1ccccc1S(C)(=O)=O
CC[C@@H](Nc1nc(-c2ccccc2)nc2c1CC[NH2+]C2)c1cc(C)ccn1 c1ccc(cc1)[*:1] CC[C@@H](Nc1nc(nc2C[NH2+]CCc21)[*:1])c1cc(C)ccn1
CC[C@@H](Nc1nc(-c2ccccc2)nc2c1CC[NH2+]C2)c1cc(C)ccn1 Cc1ccnc(c1)[*:1] CC[C@@H](Nc1nc(nc2C[NH2+]CCc21)-c1ccccc1)[*:1]
COCc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)o1 COC[*:1] C[C@@H]1CCCN(C(=O)c2ccc(o2)[*:1])[C@@H]1CNC(=O)OC(C)(C)C
COCc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)o1 CC(C)(C)OC(=O)N[*:1] COCc1ccc(o1)C(=O)N1CCC[C@@H](C)[C@H]1C[*:1]
COCc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)o1 CC(C)(C)[*:1] COCc1ccc(o1)C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)O[*:1]
COCc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)o1 COCc1ccc(o1)[*:1] C[C@@H]1CCCN(C(=O)[*:1])[C@@H]1CNC(=O)OC(C)(C)C
Cc1ccc(C[C@@H](C)NCc2cnc(-c3cccnc3)s2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H](C[*:1])NCc1cnc(s1)-c1cccnc1
Cc1ccc(C[C@@H](C)NCc2cnc(-c3cccnc3)s2)c(C)c1 c1cncc(c1)[*:1] Cc1ccc(C[C@@H](C)NCc2cnc(s2)[*:1])c(C)c1
CC[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(N(C)C(C)=O)c1 CC(=O)N(C)[*:1] CC[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)/N=c1/cccc[nH]1 C1CC1[*:1] Cc1sc(cc1S(=O)(=O)/N=c1/cccc[nH]1)-c1noc(n1)[*:1]
Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)/N=c1/cccc[nH]1 C1CC1c1nc(no1)[*:1] Cc1sc(cc1S(=O)(=O)/N=c1/cccc[nH]1)[*:1]
CN(C)C(=O)[C@@H]1C(=S)[NH+]=C(N)[C@@H](C#N)[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C)C(=O)[C@@H]1C(=S)[NH+]=C(N)[C@@H](C#N)[C@@H]1[*:1]
CN(C)C(=O)[C@@H]1C(=S)[NH+]=C(N)[C@@H](C#N)[C@H]1c1ccc(F)cc1 CN(C)C(=O)[*:1] N#C[C@@H]1C(N)=[NH+]C(=S)[C@H]([C@@H]1c1ccc(F)cc1)[*:1]
CCn1nc(C)c(NC(=O)N[C@@](C)(CO)C2CCCCC2)c1C C1CCC(CC1)[*:1] CCn1nc(C)c(NC(=O)N[C@@](C)(CO)[*:1])c1C
Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 Cc1cccc(C)c1[*:1] O=C(COC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)N[*:1]
O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1CN1CCOCC1 O=c1ccn(c(=O)[nH]1)[*:1] O=C(CC[*:1])N1CCCC[C@@H]1CN1CCOCC1
O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1[*:1]
O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1C[*:1]
COC(=O)NCCOC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl COC(=O)NC[*:1] O=C(OC[*:1])[C@@H]1C[C@@H]1c1ccccc1Cl
COC(=O)NCCOC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl COC(=O)N[*:1] O=C(OCC[*:1])[C@@H]1C[C@@H]1c1ccccc1Cl
c1ccc2c(c1)CCSC[C@@H]2[NH2+]CCCOC1CCOCC1 C1CC(CCO1)O[*:1] c1ccc2c(c1)CCSC[C@@H]2[NH2+]CCC[*:1]
c1ccc2c(c1)CCSC[C@@H]2[NH2+]CCCOC1CCOCC1 C1CC(CCO1)[*:1] c1ccc2c(c1)CCSC[C@@H]2[NH2+]CCCO[*:1]
COc1ccc([C@@H]2[C@@H](C(N)=O)CSC3=NC(=O)S[C@H]32)cc1 NC(=O)[*:1] COc1ccc(cc1)[C@H]1[C@@H]2SC(=O)N=C2SC[C@H]1[*:1]
CCOC(=O)c1nc2cnc(NC)nc2n(C)c1=O CCOC(=O)[*:1] CNc1ncc2nc(c(=O)n(C)c2n1)[*:1]
CN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CN(C(=O)C1C=CC2=NS(=O)(=O)CCN2C=1)[*:1]
N#CCOc1ccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)cc1 N#CC[*:1] O=C(NCCc1cc(F)cc2COCOc12)Nc1ccc(cc1)O[*:1]
N#CCOc1ccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)cc1 N#CCO[*:1] O=C(NCCc1cc(F)cc2COCOc12)Nc1ccc(cc1)[*:1]
Cc1ccc([C@H](C[NH2+]C2CC2)Cc2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] Fc1ccc(cc1)C[C@@H](C[NH2+]C1CC1)[*:1]
Cc1ccc([C@H](C[NH2+]C2CC2)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](C[NH2+]C1CC1)C[*:1]
Cc1ccc2c(c1)C(=O)CC1(CC[NH+](CC(=O)Nc3cc(C)on3)CC1)O2 Cc1cc(no1)[*:1] Cc1ccc2OC3(CC[NH+](CC3)CC(=O)N[*:1])CC(=O)c2c1
Cc1ccc2c(c1)C(=O)CC1(CC[NH+](CC(=O)Nc3cc(C)on3)CC1)O2 Cc1cc(no1)NC(=O)[*:1] Cc1ccc2OC3(CC[NH+](CC3)C[*:1])CC(=O)c2c1
CN1CC[C@@H](NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1=O Fc1ccc(cc1)[*:1] CN1CC[C@@H](NC(=O)c2ccc(cc2F)[*:1])C1=O
CCCCCN(Cc1ccc(Cl)cc1)S(C)(=O)=O CCC[*:1] CS(=O)(=O)N(CC[*:1])Cc1ccc(Cl)cc1
CCCCCN(Cc1ccc(Cl)cc1)S(C)(=O)=O CCCCC[*:1] CS(=O)(=O)N(Cc1ccc(Cl)cc1)[*:1]
CCCCCN(Cc1ccc(Cl)cc1)S(C)(=O)=O CCCC[*:1] CS(=O)(=O)N(Cc1ccc(Cl)cc1)C[*:1]
N#Cc1ccc(NC(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 c1cn(cn1)C[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)NCc1ccc(cc1)[*:1]
N#Cc1ccc(NC(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 c1cn(cn1)[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)NCc1ccc(cc1)C[*:1]
N#Cc1ccc(NC(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)Cn1ccnc1)C(=O)N[*:1]
COCCn1nc(C)c(NC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)N1C[C@H]2[C@@H](C1)C2(C)C)[*:1]
COCCn1nc(C)c(NC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)N1C[C@H]2[C@@H](C1)C2(C)C
CC[NH2+][C@H](Cc1nc(C)cs1)[C@](C)(CC)N1CCOCC1 C1CN(CCO1)[*:1] CC[NH2+][C@H](Cc1nc(C)cs1)[C@](C)(CC)[*:1]
CC[NH2+][C@H](Cc1nc(C)cs1)[C@](C)(CC)N1CCOCC1 Cc1csc(C[*:1])n1 CC[NH2+][C@H]([C@](C)(CC)N1CCOCC1)[*:1]
CC[NH2+][C@H](Cc1nc(C)cs1)[C@](C)(CC)N1CCOCC1 Cc1csc(n1)[*:1] CC[NH2+][C@H](C[*:1])[C@](C)(CC)N1CCOCC1
COc1cc(C(C)=O)ccc1OCC(=O)Nc1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] COc1cc(ccc1OCC(=O)N[*:1])C(C)=O
COc1cc(C(C)=O)ccc1OCC(=O)Nc1c(C)nn(C)c1C CC(=O)[*:1] COc1cc(ccc1OCC(=O)Nc1c(C)nn(C)c1C)[*:1]
CC(C)n1cc(Br)cc1C(=O)N1CCN2C(=O)NC[C@@H]2C1 CC(C)[*:1] O=C(c1cc(Br)cn1[*:1])N1CCN2C(=O)NC[C@@H]2C1
CC[C@@H]1CCCN(C(=O)c2cccc(NC(C)=O)c2)C1 CC(=O)N[*:1] CC[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CCC[C@H]1CCCN(C(=O)C2CCN(c3ncccn3)CC2)CC1 c1cnc(nc1)[*:1] CCC[C@H]1CCCN(CC1)C(=O)C1CCN(CC1)[*:1]
CCC[C@H]1CCCN(C(=O)C2CCN(c3ncccn3)CC2)CC1 CCC[*:1] O=C(C1CCN(CC1)c1ncccn1)N1CCC[C@@H](CC1)[*:1]
CC(C)C[C@H](C(=O)NCc1cc(=O)[nH]c2ccccc12)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@H](C(=O)NCc1cc(=O)[nH]c2ccccc12)[*:1]
CC(C)C[C@H](C(=O)NCc1cc(=O)[nH]c2ccccc12)N1CCCCC1=O CC(C)C[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)[C@H](N1CCCCC1=O)[*:1]
CC(C)C[C@H](C(=O)NCc1cc(=O)[nH]c2ccccc12)N1CCCCC1=O CC(C)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)[C@@H](C[*:1])N1CCCCC1=O
C[C@H](C(=O)N1CCC[C@H](COc2ccccc2)C1)c1cccs1 c1ccc(cc1)[*:1] C[C@H](C(=O)N1CCC[C@H](CO[*:1])C1)c1cccs1
C[C@H](C(=O)N1CCC[C@H](COc2ccccc2)C1)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)N1CCC[C@H](COc2ccccc2)C1)[*:1]
C[C@H](C(=O)N1CCC[C@H](COc2ccccc2)C1)c1cccs1 c1ccc(cc1)O[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)C[*:1])c1cccs1
Cn1cc(CN2CCO[C@H](c3cccc(O)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])c1ccc(cc1)[*:1] Cn1cc(CN2CCO[C@@H](C2)c2cccc(O)c2)c(n1)[*:1]
Cn1cc(CN2CCO[C@H](c3cccc(O)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 Oc1cccc(c1)[*:1] Cn1cc(CN2CCO[C@H](C2)[*:1])c(n1)-c1ccc(cc1)[N+](=O)[O-]
Cn1cc(CN2CCO[C@H](c3cccc(O)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cn1cc(CN2CCO[C@@H](C2)c2cccc(O)c2)c(n1)-c1ccc(cc1)[*:1]
COc1ccc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)CSc1nc(n[nH]1)[*:1]
C[C@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)C[C@@H]1O CC(C)(C)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Nc1cc(nn1[*:1])C(C)(C)C
C[C@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)C[C@@H]1O CC(C)(C)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Nc1cc(nn1C(C)(C)C)[*:1]
Cc1nc2c(C(=O)Nc3cccc(F)c3)nc(-c3ccccc3)cc2n1[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] Cc1nc2c(nc(cc2n1[C@@H]1CCS(=O)(=O)C1)[*:1])C(=O)Nc1cccc(F)c1
Cc1nc2c(C(=O)Nc3cccc(F)c3)nc(-c3ccccc3)cc2n1[C@@H]1CCS(=O)(=O)C1 O=C(Nc1cccc(F)c1)[*:1] Cc1nc2c(nc(cc2n1[C@@H]1CCS(=O)(=O)C1)-c1ccccc1)[*:1]
Cc1nc2c(C(=O)Nc3cccc(F)c3)nc(-c3ccccc3)cc2n1[C@@H]1CCS(=O)(=O)C1 Fc1cccc(c1)[*:1] Cc1nc2c(nc(cc2n1[C@@H]1CCS(=O)(=O)C1)-c1ccccc1)C(=O)N[*:1]
C[C@H]1CCN(C(=O)CSc2nncs2)[C@H]2CCCC[C@H]12 c1nnc(S[*:1])s1 C[C@H]1CCN(C(=O)C[*:1])[C@H]2CCCC[C@H]12
C[C@H]1CCN(C(=O)CSc2nncs2)[C@H]2CCCC[C@H]12 c1nnc(s1)[*:1] C[C@H]1CCN(C(=O)CS[*:1])[C@H]2CCCC[C@H]12
CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@@H](c1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@@H](N1CCCC1)[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@@H](c1ccccc1)N1CCCC1 C1CCN(C1)[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@@H](c1ccccc1)[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@@H](c1ccccc1)N1CCCC1 CC(C)[*:1] O=C(NCCn1c(n[nH]c1=S)[*:1])[C@@H](c1ccccc1)N1CCCC1
O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cc(-c2ccccc2F)no1 Fc1ccccc1[*:1] O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cc(no1)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 CC(C)C[*:1] CC(C)Oc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)C[*:1]
CC(C)CCC(=O)N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 CC(C)CC[*:1] CC(C)Oc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 CC(C)[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)O[*:1]
CC(C)CCC(=O)N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 CC(C)O[*:1] CC(C)CCC(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)CCC(=O)N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 CC(C)[*:1] CC(C)Oc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)CC[*:1]
Cc1oc(C(=O)NN)cc1CN1CCO[C@H](C#N)C1 NNC(=O)[*:1] Cc1oc(cc1CN1CCO[C@H](C#N)C1)[*:1]
CC(=O)c1ccccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 CC(=O)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)Nc1ccccc1[*:1]
Cc1cc(OCC(=O)N/N=C/C(C)C)ccc1Br CC(C)[*:1] Cc1cc(ccc1Br)OCC(=O)NN=C[*:1]
CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2CC)ccc1C CCc1ccccc1[*:1] CCNC(=O)c1cc(ccc1C)S(=O)(=O)N[*:1]
CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2CC)ccc1C CCNC(=O)[*:1] CCc1ccccc1NS(=O)(=O)c1ccc(C)c(c1)[*:1]
CCOc1ccccc1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1C CCO[*:1] Cc1c(cnn1-c1ccc(Br)cc1)C(=O)NCc1ccccc1[*:1]
CCOc1ccccc1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1C Brc1ccc(cc1)[*:1] CCOc1ccccc1CNC(=O)c1cnn(c1C)[*:1]
CC(=O)N1CCc2nnc(C3CC[NH+](Cc4cccc(C)c4)CC3)n2CC1 Cc1cccc(c1)[*:1] CC(=O)N1CCc2nnc(C3CC[NH+](CC3)C[*:1])n2CC1
CC(=O)N1CCc2nnc(C3CC[NH+](Cc4cccc(C)c4)CC3)n2CC1 Cc1cccc(c1)C[*:1] CC(=O)N1CCc2nnc(C3CC[NH+](CC3)[*:1])n2CC1
CCCC[C@H]1NC(=O)N(CN(C)Cc2ccc(Cl)cc2)C1=O CCCC[*:1] CN(Cc1ccc(Cl)cc1)CN1C(=O)N[C@@H](C1=O)[*:1]
CCCC[C@H]1NC(=O)N(CN(C)Cc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CCCC[C@H]1NC(=O)N(CN(C)C[*:1])C1=O
CCCC[C@H]1NC(=O)N(CN(C)Cc2ccc(Cl)cc2)C1=O CCC[*:1] CN(Cc1ccc(Cl)cc1)CN1C(=O)N[C@H](C[*:1])C1=O
O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1occc1Br O=[N+]([O-])[*:1] O=C(Oc1cc(F)ccc1[*:1])c1occc1Br
O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1occc1Br Brc1ccoc1[*:1] O=C(Oc1cc(F)ccc1[N+](=O)[O-])[*:1]
CCN(C)[C@@H](C(=O)NCC1CCN(S(C)(=O)=O)CC1)c1ccccc1 CCN(C)[*:1] CS(=O)(=O)N1CCC(CC1)CNC(=O)[C@@H](c1ccccc1)[*:1]
CCN(C)[C@@H](C(=O)NCC1CCN(S(C)(=O)=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C)[C@@H](C(=O)NCC1CCN(CC1)S(C)(=O)=O)[*:1]
O[C@H](C[NH2+]Cc1cccnc1)COc1ccccc1 c1cncc(c1)[*:1] O[C@H](C[NH2+]C[*:1])COc1ccccc1
O[C@H](C[NH2+]Cc1cccnc1)COc1ccccc1 c1ccc(cc1)[*:1] O[C@H](C[NH2+]Cc1cccnc1)CO[*:1]
C[C@H](CCl)CS(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 C[C@H](CCl)C[*:1] O=S(=O)(N1CCO[C@H]2CCCC[C@@H]21)[*:1]
C[C@H](CCl)CS(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 C[C@H](CCl)[*:1] O=S(=O)(C[*:1])N1CCO[C@H]2CCCC[C@@H]21
O=C(NC[C@H](O)c1ccc(F)cc1)c1nn(-c2ccc(F)cc2)cc1[O-] Fc1ccc(cc1)[*:1] O=C(NC[C@H](O)c1ccc(F)cc1)c1nn(cc1[O-])[*:1]
O=C(NC[C@H](O)c1ccc(F)cc1)c1nn(-c2ccc(F)cc2)cc1[O-] Fc1ccc(cc1)[*:1] O=C(NC[C@H](O)[*:1])c1nn(cc1[O-])-c1ccc(F)cc1
CCN1C(=O)C2(CCN(C(=O)Nc3cccnc3)CC2)Nc2ccccc21 c1cncc(c1)[*:1] CCN1C(=O)C2(CCN(CC2)C(=O)N[*:1])Nc2ccccc21
COC(=O)[C@@H]1CC[C@@H](c2ccc(OC)cc2)CN1 COC(=O)[*:1] COc1ccc(cc1)[C@@H]1CC[C@H](NC1)[*:1]
O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1cnn(c1)[*:1]
O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1cnn(c1)C[*:1]
Cc1cccc(N2CCN(C(=O)c3ccc(OC[C@@H]4CCCO4)cc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(c1ccc(cc1)OC[C@@H]1CCCO1)N1CCN(CC1)[*:1]
COc1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc(NC(C)=O)c1OC CC(=O)N[*:1] COc1cc(cc(c1OC)[*:1])C(=O)N[C@H]1C[C@@H]1c1ccccc1
COc1cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc(NC(C)=O)c1OC c1ccc(cc1)[*:1] COc1cc(cc(NC(C)=O)c1OC)C(=O)N[C@H]1C[C@H]1[*:1]
CCC[NH2+][C@H](C)[C@@H](CC)c1ncnc2c1CCCCC2 CCC[*:1] CC[C@@H](c1ncnc2CCCCCc21)[C@@H](C)[NH2+][*:1]
OC[C@@H](O)/C=N/N=c1\nc(N2CCOCC2)nc(N2CCCC2)[nH]1 C1CCN(C1)[*:1] OC[C@@H](O)/C=N/N=c1\nc(nc([nH]1)[*:1])N1CCOCC1
OC[C@@H](O)/C=N/N=c1\nc(N2CCOCC2)nc(N2CCCC2)[nH]1 C1CN(CCO1)[*:1] OC[C@@H](O)/C=N/N=c1\nc(nc([nH]1)N1CCCC1)[*:1]
CNC(=O)c1ccc(N[C@H](C)COc2ccc(F)cc2F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(N[C@H](C)COc2ccc(F)cc2F)c(c1)[*:1]
CNC(=O)c1ccc(N[C@H](C)COc2ccc(F)cc2F)c([N+](=O)[O-])c1 CNC(=O)[*:1] C[C@H](COc1ccc(F)cc1F)Nc1ccc(cc1[N+](=O)[O-])[*:1]
CNC(=O)c1ccc(N[C@H](C)COc2ccc(F)cc2F)c([N+](=O)[O-])c1 Fc1ccc(c(F)c1)[*:1] CNC(=O)c1ccc(N[C@H](C)CO[*:1])c(c1)[N+](=O)[O-]
Cc1cccc2nc(C(=O)NCC(=O)[O-])cn12 O=C([O-])C[*:1] Cc1cccc2nc(cn12)C(=O)N[*:1]
Cc1cccc2nc(C(=O)NCC(=O)[O-])cn12 O=C([O-])[*:1] Cc1cccc2nc(cn12)C(=O)NC[*:1]
COC[C@H](C)NC(=O)N1CCCCC[C@H]1c1ccccc1 COC[*:1] C[C@H](NC(=O)N1CCCCC[C@H]1c1ccccc1)[*:1]
COC[C@H](C)NC(=O)N1CCCCC[C@H]1c1ccccc1 COC[C@H](C)[*:1] O=C(N[*:1])N1CCCCC[C@H]1c1ccccc1
COC[C@H](C)NC(=O)N1CCCCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COC[C@H](C)NC(=O)N1CCCCC[C@@H]1[*:1]
COc1ccc(-n2c(N)c(C(=O)NCc3ccccc3OC)c3nc4ccccc4nc32)cc1 COc1ccc(cc1)[*:1] COc1ccccc1CNC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
COc1ccc(-n2c(N)c(C(=O)NCc3ccccc3OC)c3nc4ccccc4nc32)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-n1c(N)c(C(=O)NC[*:1])c2nc3ccccc3nc21
COc1ccc(-n2c(N)c(C(=O)NCc3ccccc3OC)c3nc4ccccc4nc32)cc1 COc1ccccc1C[*:1] COc1ccc(cc1)-n1c(N)c(C(=O)N[*:1])c2nc3ccccc3nc21
CC[C@]1(C(=O)NCc2ccc(C#N)cc2F)CCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CC[C@@]1(CCCN1C(=O)O[*:1])C(=O)NCc1ccc(C#N)cc1F
CC[C@]1(C(=O)NCc2ccc(C#N)cc2F)CCCN1C(=O)OC(C)(C)C N#Cc1ccc(c(F)c1)[*:1] CC[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)NC[*:1]
COc1cccc(CC(=O)Nc2ccc(-c3nncn3C)cc2)c1 COc1cccc(c1)[*:1] Cn1cnnc1-c1ccc(cc1)NC(=O)C[*:1]
COc1cccc(CC(=O)Nc2ccc(-c3nncn3C)cc2)c1 Cn1cnnc1[*:1] COc1cccc(c1)CC(=O)Nc1ccc(cc1)[*:1]
Fc1ccccc1OCc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] Fc1ccccc1OCc1ncn(n1)[*:1]
C=CCN1C(=O)N[C@@H](c2ccsc2)C2=C1CN(Cc1ccncc1)C2=O c1cc(cs1)[*:1] C=CCN1C(=O)N[C@@H](C2C(=O)N(CC=21)Cc1ccncc1)[*:1]
C=CCN1C(=O)N[C@@H](c2ccsc2)C2=C1CN(Cc1ccncc1)C2=O C=CC[*:1] O=C1C2=C(CN1Cc1ccncc1)N(C(=O)N[C@H]2c1ccsc1)[*:1]
C=CCN1C(=O)N[C@@H](c2ccsc2)C2=C1CN(Cc1ccncc1)C2=O c1cc(ccn1)C[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CC=21)[*:1])c1ccsc1
C=CCN1C(=O)N[C@@H](c2ccsc2)C2=C1CN(Cc1ccncc1)C2=O c1cc(ccn1)[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CC=21)C[*:1])c1ccsc1
Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc3nc(C(C)C)cc(C(F)(F)F)n3n1)CC2 CC(C)[*:1] Cc1nc2CCN(CCc2c(=O)[nH]1)C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc3nc(C(C)C)cc(C(F)(F)F)n3n1)CC2 FC(F)(F)[*:1] Cc1nc2CCN(CCc2c(=O)[nH]1)C(=O)c1cc2nc(cc(n2n1)[*:1])C(C)C
CC(=O)c1ccnc(Oc2cccc(Br)c2)c1 CC(=O)[*:1] Brc1cccc(c1)Oc1cc(ccn1)[*:1]
COCc1ccc(CNC(=O)C(=O)Nc2ccc3sccc3c2)cc1 COC[*:1] O=C(NCc1ccc(cc1)[*:1])C(=O)Nc1ccc2sccc2c1
COc1ccc(CCCc2ccc(C(C)=O)cc2)cc1 CC(=O)[*:1] COc1ccc(cc1)CCCc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)C(C)(C)c2cccc(Br)c2)cc1C(N)=O NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C(C)(C)c1cccc(Br)c1
Cc1ccc(NC(=O)C(C)(C)c2cccc(Br)c2)cc1C(N)=O Brc1cccc(c1)[*:1] Cc1ccc(cc1C(N)=O)NC(=O)C(C)(C)[*:1]
COc1ccc(CC(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1C Clc1ccccc1[*:1] COc1ccc(cc1C)CC(=O)Nc1nnc(o1)[*:1]
CCc1cnc(CCNC(=O)CSc2ccccc2F)s1 Fc1ccccc1[*:1] CCc1cnc(CCNC(=O)CS[*:1])s1
CCc1cnc(CCNC(=O)CSc2ccccc2F)s1 CCc1cnc(s1)[*:1] O=C(CSc1ccccc1F)NCC[*:1]
COC(=O)c1c(S(=O)(=O)N2CCCCCCC2)sc2c1CCN(C(=O)C1C(C)(C)C1(C)C)C2 CC1(C)C(C1(C)C)[*:1] COC(=O)c1c(sc2CN(CCc21)C(=O)[*:1])S(=O)(=O)N1CCCCCCC1
COC(=O)c1c(S(=O)(=O)N2CCCCCCC2)sc2c1CCN(C(=O)C1C(C)(C)C1(C)C)C2 O=S(=O)(N1CCCCCCC1)[*:1] COC(=O)c1c(sc2CN(CCc21)C(=O)C1C(C)(C)C1(C)C)[*:1]
COC(=O)c1c(S(=O)(=O)N2CCCCCCC2)sc2c1CCN(C(=O)C1C(C)(C)C1(C)C)C2 COC(=O)[*:1] CC1(C)C(C(=O)N2CCc3c(C2)sc(c3[*:1])S(=O)(=O)N2CCCCCCC2)C1(C)C
CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cccnc1 c1cncc(c1)C[*:1] CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+][*:1]
CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cccnc1 c1cncc(c1)[*:1] CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[*:1]
CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cccnc1 c1ccc(cc1)[*:1] CC(C)c1nn(c(Cl)c1C[NH2+]Cc1cccnc1)[*:1]
CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cccnc1 CC(C)[*:1] Clc1c(C[NH2+]Cc2cccnc2)c(nn1-c1ccccc1)[*:1]
O=C(CSCC(F)(F)F)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)CSC[*:1] O=C1[C@@H](CCN1CC(F)(F)F)NC(=O)[*:1]
O=C(CSCC(F)(F)F)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] O=C(CS[*:1])N[C@@H]1CCN(CC(F)(F)F)C1=O
O=C(CSCC(F)(F)F)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] O=C(CSCC(F)(F)F)N[C@@H]1CCN(C1=O)[*:1]
O=C(CSCC(F)(F)F)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] O=C(CSC[*:1])N[C@@H]1CCN(CC(F)(F)F)C1=O
O=C(CSCC(F)(F)F)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] O=C(CSCC(F)(F)F)N[C@@H]1CCN(C[*:1])C1=O
O=C(CSCC(F)(F)F)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)CS[*:1] O=C(C[*:1])N[C@@H]1CCN(CC(F)(F)F)C1=O
CC(C)C[C@@H](CNc1cnn(C)c(=O)c1Cl)N1CCOCC1 CC(C)C[*:1] Cn1ncc(NC[C@@H](N2CCOCC2)[*:1])c(Cl)c1=O
CC(C)C[C@@H](CNc1cnn(C)c(=O)c1Cl)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@@H](CNc1cnn(C)c(=O)c1Cl)[*:1]
CC(C)C[C@@H](CNc1cnn(C)c(=O)c1Cl)N1CCOCC1 CC(C)[*:1] Cn1ncc(NC[C@H](C[*:1])N2CCOCC2)c(Cl)c1=O
Cc1ccc2[nH]c(CCc3ccc(NC(=O)C(C)C)cc3)nc2c1 CC(C)[*:1] Cc1ccc2[nH]c(CCc3ccc(cc3)NC(=O)[*:1])nc2c1
Cc1ccc2[nH]c(CCc3ccc(NC(=O)C(C)C)cc3)nc2c1 CC(C)C(=O)N[*:1] Cc1ccc2[nH]c(CCc3ccc(cc3)[*:1])nc2c1
CC(C)(C)c1noc(CCC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 CC(C)(C)[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)CCc1nc(no1)[*:1]
COc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COc1ccccc1NC(=O)Cc1cccc(c1)[*:1]
C=CC[C@H]1S/C(=N\N=C\c2ccccc2)NC1=O c1ccc(cc1)[*:1] C=CC[C@H]1S/C(=N\N=C[*:1])NC1=O
C=CC[C@H]1S/C(=N\N=C\c2ccccc2)NC1=O C=CC[*:1] O=C1N/C(=N/N=C/c2ccccc2)S[C@@H]1[*:1]
CC(C)c1cccc(NC(=O)CN2CCO[C@@H](CO)C2)c1 CC(C)[*:1] O=C(CN1CCO[C@@H](CO)C1)Nc1cccc(c1)[*:1]
Cc1cc/c(=N/S(=O)(=O)c2ccc(CC(N)=S)cc2)[nH]c1 NC(=S)[*:1] Cc1cc/c(=N/S(=O)(=O)c2ccc(cc2)C[*:1])[nH]c1
Cc1cc/c(=N/S(=O)(=O)c2ccc(CC(N)=S)cc2)[nH]c1 NC(=S)C[*:1] Cc1cc/c(=N/S(=O)(=O)c2ccc(cc2)[*:1])[nH]c1
Cc1cc(-c2cccc3c2O[C@H](C[NH3+])C3)nc(N(C)C)n1 CN(C)[*:1] Cc1cc(nc(n1)[*:1])-c1cccc2C[C@@H](C[NH3+])Oc21
Cc1ccc(N)cc1SCc1ccc(C(=O)[O-])s1 O=C([O-])[*:1] Cc1ccc(N)cc1SCc1ccc(s1)[*:1]
CN(CC1CC[NH+](C)CC1)C(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] CN(CC1CC[NH+](C)CC1)C(=O)NCc1cn(nn1)[*:1]
CC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)[NH+]1CCSCC1 CC(C)(C)[*:1] c1cnc2ccc(cc2c1)[C@H](c1nnnn1[*:1])[NH+]1CCSCC1
CS(=O)(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1cccs1 c1csc(c1)[*:1] CS(=O)(=O)N1N=C(C[C@H]1[*:1])c1ccc2OCOc2c1
CN(C(=O)c1cccc2c1OCC(=O)N2)c1nccs1 c1csc(n1)[*:1] CN(C(=O)c1cccc2NC(=O)COc21)[*:1]
C[C@H]1Cc2c(NC(=O)CSCc3ccccc3)nn(C)c2NC1=O c1ccc(cc1)C[*:1] C[C@H]1Cc2c(nn(C)c2NC1=O)NC(=O)CS[*:1]
C[C@H]1Cc2c(NC(=O)CSCc3ccccc3)nn(C)c2NC1=O c1ccc(cc1)[*:1] C[C@H]1Cc2c(nn(C)c2NC1=O)NC(=O)CSC[*:1]
C[C@H]1Cc2c(NC(=O)CSCc3ccccc3)nn(C)c2NC1=O c1ccc(cc1)CS[*:1] C[C@H]1Cc2c(nn(C)c2NC1=O)NC(=O)C[*:1]
CCc1ccc(C(=O)NNC(=O)N[C@H](c2nccs2)C2CC2)cc1 c1csc(n1)[*:1] CCc1ccc(cc1)C(=O)NNC(=O)N[C@H](C1CC1)[*:1]
CCc1ccc(C(=O)NNC(=O)N[C@H](c2nccs2)C2CC2)cc1 CCc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])N[C@H](c1nccs1)C1CC1
CCc1ccc(C(=O)NNC(=O)N[C@H](c2nccs2)C2CC2)cc1 C1CC1[*:1] CCc1ccc(cc1)C(=O)NNC(=O)N[C@H](c1nccs1)[*:1]
Cc1ccc(-c2onc3ccc(C(=O)NCCO)cc23)cc1 Cc1ccc(cc1)[*:1] O=C(NCCO)c1ccc2noc(c2c1)[*:1]
Cc1ccc(-c2onc3ccc(C(=O)NCCO)cc23)cc1 O=C(NCCO)[*:1] Cc1ccc(cc1)-c1onc2ccc(cc12)[*:1]
Cc1ccc(-c2onc3ccc(C(=O)NCCO)cc23)cc1 OCC[*:1] Cc1ccc(cc1)-c1onc2ccc(cc12)C(=O)N[*:1]
CC[C@H](NC(=O)c1cc(C#N)cn1C)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)c1cc(C#N)cn1C)[*:1]
N#Cc1ccccc1N1CCCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] N#Cc1ccccc1N1CCCN(CC1)S(=O)(=O)[*:1]
N#Cc1ccccc1N1CCCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] N#Cc1ccccc1N1CCCN(CC1)S(=O)(=O)C[*:1]
N#Cc1ccccc1N1CCCN(S(=O)(=O)Cc2ccccc2)CC1 N#Cc1ccccc1[*:1] O=S(=O)(Cc1ccccc1)N1CCCN(CC1)[*:1]
O=C1O/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C1O/C(=C/c2ccc(cc2)[*:1])c2ccc(cc21)[N+](=O)[O-]
O=C1O/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C1O/C(=C/c2ccc(cc2)[N+](=O)[O-])c2ccc(cc21)[*:1]
CC(C)(O)c1cn(C2CCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)nn1 CC(C)(O)[*:1] O=C([C@@H]1CCc2ccccc2O1)N1CCC(CC1)n1cc(nn1)[*:1]
CC(C)(O)c1cn(C2CCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)nn1 CC(C)(O)c1cn(nn1)[*:1] O=C([C@@H]1CCc2ccccc2O1)N1CCC(CC1)[*:1]
CC(=O)N(C)c1ccc(NC(=O)c2cccn2Cc2cccnc2)cc1 CC(=O)N(C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccn1Cc1cccnc1
CC(=O)N(C)c1ccc(NC(=O)c2cccn2Cc2cccnc2)cc1 c1cncc(c1)C[*:1] CC(=O)N(C)c1ccc(cc1)NC(=O)c1cccn1[*:1]
CC(=O)N(C)c1ccc(NC(=O)c2cccn2Cc2cccnc2)cc1 c1cncc(c1)[*:1] CC(=O)N(C)c1ccc(cc1)NC(=O)c1cccn1C[*:1]
O=C(CCCOc1cccnc1)N1CCCSc2ccccc21 c1cncc(c1)[*:1] O=C(CCCO[*:1])N1CCCSc2ccccc21
O=C(CCCOc1cccnc1)N1CCCSc2ccccc21 c1cncc(c1)O[*:1] O=C(CCC[*:1])N1CCCSc2ccccc21
Cc1ocnc1CNc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 Cc1ocnc1C[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1nc2ccccc2nc1N[*:1]
Cc1ocnc1CNc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 Cc1ocnc1CN[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1nc2ccccc2nc1[*:1]
Cc1ocnc1CNc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 Cc1ocnc1[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1nc2ccccc2nc1NC[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@@H]1CO O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)N[C@@H]1CCCC[C@@H]1CO)[*:1]
C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1nc(cs1)[*:1]
C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1nc(-c2ccccc2)cs1 CC(C)(C)[*:1] C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)C[*:1])c1nc(cs1)-c1ccccc1
C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1nc(-c2ccccc2)cs1 CC(C)(C)C[*:1] C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)[*:1])c1nc(cs1)-c1ccccc1
CCNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1 CC(C)(C)C(=O)N[*:1] CCNC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CCNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1 CCNC(=O)[*:1] CC(C)(C)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CCNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1 CC(C)(C)[*:1] CCNC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)NC(=O)[*:1]
O=C([O-])COc1nc(NCc2ccc(F)cc2)nc2c1CCC2 O=C([O-])C[*:1] Fc1ccc(cc1)CNc1nc2CCCc2c(n1)O[*:1]
O=C([O-])COc1nc(NCc2ccc(F)cc2)nc2c1CCC2 O=C([O-])[*:1] Fc1ccc(cc1)CNc1nc2CCCc2c(n1)OC[*:1]
O=C([O-])COc1nc(NCc2ccc(F)cc2)nc2c1CCC2 O=C([O-])CO[*:1] Fc1ccc(cc1)CNc1nc2CCCc2c(n1)[*:1]
O=C([O-])COc1nc(NCc2ccc(F)cc2)nc2c1CCC2 Fc1ccc(cc1)[*:1] O=C([O-])COc1nc(nc2CCCc21)NC[*:1]
CO[C@@H](C)c1nc(CC[NH3+])cs1 CO[C@@H](C)[*:1] [NH3+]CCc1csc(n1)[*:1]
CO[C@@H](C)c1nc(CC[NH3+])cs1 [NH3+]CC[*:1] CO[C@@H](C)c1nc(cs1)[*:1]
CC(=O)NCCNC(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CC(=O)NCCNC(=O)c1ccc(cc1)[*:1]
CC(=O)NCCNC(=O)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CC(=O)NCCNC(=O)c1ccc(cc1)O[*:1]
CC(=O)NCCNC(=O)c1ccc(OC(F)(F)F)cc1 CC(=O)NC[*:1] O=C(NC[*:1])c1ccc(cc1)OC(F)(F)F
CC(=O)NCCNC(=O)c1ccc(OC(F)(F)F)cc1 CC(=O)NCC[*:1] O=C(N[*:1])c1ccc(cc1)OC(F)(F)F
CC(=O)NCCNC(=O)c1ccc(OC(F)(F)F)cc1 CC(=O)N[*:1] O=C(NCC[*:1])c1ccc(cc1)OC(F)(F)F
C[C@H](CNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C)[*:1]
C[C@H](CNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 C[C@H](C[*:1])c1ccccc1 C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)N[*:1]
C[C@H](CNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)NC[*:1]
C[C@H](CNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 Fc1ccccc1[*:1] C[C@H](CNC(=O)[C@@H](C)Sc1nnc(n1C)[*:1])c1ccccc1
C[C@@H](NC(=O)Nc1nncs1)c1ccncc1 c1nnc(s1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccncc1
CC(C)COc1ccc(CC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 CC(C)C[*:1] O=C(Cc1ccc(cc1)O[*:1])N[C@H]1c2ccccc2C[C@H]1O
CC(C)COc1ccc(CC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)OC[*:1])N[C@H]1c2ccccc2C[C@H]1O
CC(C)COc1ccc(CC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 CC(C)CO[*:1] O=C(Cc1ccc(cc1)[*:1])N[C@H]1c2ccccc2C[C@H]1O
COc1cc(C[C@@H](C#N)C(=O)Nc2ccccc2OC)ccc1O COc1ccccc1[*:1] COc1cc(ccc1O)C[C@@H](C#N)C(=O)N[*:1]
CN(C(=O)c1ccc(-n2ccnn2)cc1)[C@H]1[C@H]2CCO[C@@H]2C1(C)C c1cn(nn1)[*:1] CN(C(=O)c1ccc(cc1)[*:1])[C@H]1[C@H]2CCO[C@@H]2C1(C)C
Cc1cc(C)cc(OCCN(C)C(=O)c2cc(C(C)C)n(C)n2)c1 Cc1cc(C)cc(c1)[*:1] CC(C)c1cc(nn1C)C(=O)N(C)CCO[*:1]
Cc1cc(C)cc(OCCN(C)C(=O)c2cc(C(C)C)n(C)n2)c1 CC(C)[*:1] Cc1cc(C)cc(c1)OCCN(C)C(=O)c1cc(n(C)n1)[*:1]
O=C(c1ccco1)N1CCC(C(=O)N2CCC[C@H]2c2cccc(F)c2)CC1 c1coc(c1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCC[C@H]1c1cccc(F)c1
O=C(c1ccco1)N1CCC(C(=O)N2CCC[C@H]2c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(c1ccco1)N1CCC(CC1)C(=O)N1CCC[C@@H]1[*:1]
Cn1nccc1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 Cn1nccc1[*:1] C[NH+](C)CCc1ccc(cc1)NC(=O)C(=O)NC[*:1]
Cn1nccc1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 Cn1nccc1C[*:1] C[NH+](C)CCc1ccc(cc1)NC(=O)C(=O)N[*:1]
Cn1cc(S(=O)(=O)/N=C(\[O-])c2ccsc2)cc1C(N)=O c1cc(cs1)[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)/N=C(\[O-])[*:1]
Cn1cc(S(=O)(=O)/N=C(\[O-])c2ccsc2)cc1C(N)=O NC(=O)[*:1] Cn1cc(cc1[*:1])S(=O)(=O)/N=C(\[O-])c1ccsc1
CN(Cc1ccc(Cl)nc1)C(=O)NCc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CN(Cc1ccc(Cl)nc1)C(=O)NCc1ccc(cc1)[*:1]
CN(Cc1ccc(Cl)nc1)C(=O)NCc1ccc(-n2cncn2)cc1 Clc1ccc(cn1)[*:1] CN(C[*:1])C(=O)NCc1ccc(cc1)-n1cncn1
CN(Cc1ccc(Cl)nc1)C(=O)NCc1ccc(-n2cncn2)cc1 Clc1ccc(cn1)C[*:1] CN(C(=O)NCc1ccc(cc1)-n1cncn1)[*:1]
CN(C)CC[NH+]1CCC(CNC(=O)C(C)(C)c2ccccc2)CC1 CN(C)CC[*:1] CC(C)(C(=O)NCC1CC[NH+](CC1)[*:1])c1ccccc1
CN(C)CC[NH+]1CCC(CNC(=O)C(C)(C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CN(C)CC[NH+]1CCC(CC1)CNC(=O)C(C)(C)[*:1]
CN(C)CC[NH+]1CCC(CNC(=O)C(C)(C)c2ccccc2)CC1 CN(C)[*:1] CC(C)(C(=O)NCC1CC[NH+](CC1)CC[*:1])c1ccccc1
CN(C)CC[NH+]1CCC(CNC(=O)C(C)(C)c2ccccc2)CC1 CN(C)C[*:1] CC(C)(C(=O)NCC1CC[NH+](CC1)C[*:1])c1ccccc1
COc1ccccc1[C@@H](CNC(=O)N1CC[C@@H]([N+]2=CCCC2)C1)[NH+](C)C COc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)N1CC[C@H](C1)[N+]1=CCCC1)[*:1]
Cc1ccc(NC(=O)NCCn2cnc3cc(C(=O)N4CCCC4)ccc32)cc1F Cc1ccc(cc1F)[*:1] O=C(NCCn1cnc2cc(ccc21)C(=O)N1CCCC1)N[*:1]
Cc1ccc(NC(=O)NCCn2cnc3cc(C(=O)N4CCCC4)ccc32)cc1F O=C(N1CCCC1)[*:1] Cc1ccc(cc1F)NC(=O)NCCn1cnc2cc(ccc21)[*:1]
C[C@@H]([NH3+])Cc1ccc(OCC(=O)N(C)C)cn1 CN(C)C(=O)[*:1] C[C@@H]([NH3+])Cc1ccc(cn1)OC[*:1]
CSCC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 CSC[*:1] C[C@H](NC(=O)N(C)[C@@H](C)C[*:1])c1ccc(cc1)N1CCCC1=O
CSCC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 CSCC[*:1] C[C@H](NC(=O)N(C)[C@@H](C)[*:1])c1ccc(cc1)N1CCCC1=O
CSCC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CSCC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
CC(=O)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 N#Cc1ccsc1[*:1] CC(=O)N1CCN(CC1)[C@@H]1CCN(C1=O)[*:1]
CCC[C@H](CC)NS(=O)(=O)CCO CCC[*:1] CC[C@H](NS(=O)(=O)CCO)[*:1]
CCC[C@H](CC)NS(=O)(=O)CCO OCC[*:1] CCC[C@H](CC)NS(=O)(=O)[*:1]
C[NH+](C)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(CC#N)cc2)C1 N#CC[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCc1ccsc1CNC(=O)c1occc1COc1cccc(C#N)c1 CCc1ccsc1[*:1] N#Cc1cccc(c1)OCc1ccoc1C(=O)NC[*:1]
CCc1ccsc1CNC(=O)c1occc1COc1cccc(C#N)c1 CCc1ccsc1C[*:1] N#Cc1cccc(c1)OCc1ccoc1C(=O)N[*:1]
CCc1ccsc1CNC(=O)c1occc1COc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CCc1ccsc1CNC(=O)c1occc1CO[*:1]
C=CCOC(=O)C1=C(C)OC(=O)[C@]12C(C(=O)OC(C)C)=C(N)Nc1ccc(Br)cc12 C=CCOC(=O)[*:1] CC1OC(=O)[C@]2(C(C(=O)OC(C)C)=C(N)Nc3ccc(Br)cc32)C=1[*:1]
C=CCOC(=O)C1=C(C)OC(=O)[C@]12C(C(=O)OC(C)C)=C(N)Nc1ccc(Br)cc12 CC(C)[*:1] C=CCOC(=O)C1=C(C)OC(=O)[C@]12C(C(=O)O[*:1])=C(N)Nc1ccc(Br)cc12
C=CCOC(=O)C1=C(C)OC(=O)[C@]12C(C(=O)OC(C)C)=C(N)Nc1ccc(Br)cc12 C=CC[*:1] CC1OC(=O)[C@]2(C(C(=O)OC(C)C)=C(N)Nc3ccc(Br)cc32)C=1C(=O)O[*:1]
C=CCOC(=O)C1=C(C)OC(=O)[C@]12C(C(=O)OC(C)C)=C(N)Nc1ccc(Br)cc12 CC(C)OC(=O)[*:1] C=CCOC(=O)C1=C(C)OC(=O)[C@]12C(=C(N)Nc1ccc(Br)cc12)[*:1]
O=C(Cc1ccccc1)NCC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] O=C(Cc1ccccc1)NCC(=O)N[C@@H]1CCN(C1)[*:1]
O=C(Cc1ccccc1)NCC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 c1ccc(cc1)C[*:1] O=C(CNC(=O)[*:1])N[C@@H]1CCN(C1)c1cccc(Cl)c1
O=C(Cc1ccccc1)NCC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 c1ccc(cc1)[*:1] O=C(C[*:1])NCC(=O)N[C@@H]1CCN(C1)c1cccc(Cl)c1
O=C(c1ccc(OCC(F)F)nc1)N1CCC[C@@H](n2cccn2)C1 FC(F)[*:1] O=C(c1ccc(nc1)OC[*:1])N1CCC[C@H](C1)n1cccn1
O=C(c1ccc(OCC(F)F)nc1)N1CCC[C@@H](n2cccn2)C1 FC(F)C[*:1] O=C(c1ccc(nc1)O[*:1])N1CCC[C@H](C1)n1cccn1
O=C(c1ccc(OCC(F)F)nc1)N1CCC[C@@H](n2cccn2)C1 c1cnn(c1)[*:1] O=C(c1ccc(nc1)OCC(F)F)N1CCC[C@@H](C1)[*:1]
O=C(c1ccc(OCC(F)F)nc1)N1CCC[C@@H](n2cccn2)C1 FC(F)CO[*:1] O=C(c1ccc(nc1)[*:1])N1CCC[C@H](C1)n1cccn1
Cc1cscc1C[NH2+]CC(=O)N(C)C1CC1 C1CC1[*:1] Cc1cscc1C[NH2+]CC(=O)N(C)[*:1]
C=CCOc1ccc(C[NH+]2CCC(N(C)C(C)=O)CC2)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])C[NH+]1CCC(CC1)N(C)C(C)=O
C=CCOc1ccc(C[NH+]2CCC(N(C)C(C)=O)CC2)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])C[NH+]1CCC(CC1)N(C)C(C)=O
C=CCOc1ccc(C[NH+]2CCC(N(C)C(C)=O)CC2)cc1OC CC(=O)N(C)[*:1] C=CCOc1ccc(cc1OC)C[NH+]1CCC(CC1)[*:1]
CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1 CC(C)[*:1] C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(cc1)S[*:1]
CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CC(C)Sc1ccc(cc1)[C@H](C)[NH2+][C@@H](C)C[*:1]
CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1 CC(C)S[*:1] C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] CC(C)Sc1ccc(cc1)[C@H](C)[NH2+][C@@H](C)[*:1]
COc1cccc(CCCNC(=O)N[C@@H](C)C2CCOCC2)c1 C1CC(CCO1)[*:1] COc1cccc(c1)CCCNC(=O)N[C@@H](C)[*:1]
CN1C(=O)N=C([O-])[C@H]2[C@H]1[NH+]=C(N1CCCCC1)N2CCSc1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CN1C(=O)N=C([O-])[C@H]2[C@H]1[NH+]=C(N1CCCCC1)N2CCS[*:1]
CN1C(=O)N=C([O-])[C@H]2[C@H]1[NH+]=C(N1CCCCC1)N2CCSc1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)S[*:1] CN1C(=O)N=C([O-])[C@H]2[C@H]1[NH+]=C(N1CCCCC1)N2CC[*:1]
C[C@H]1CN(C)[C@@H](C)[C@@H](/C=C(/C#N)C(N)=S)C1=O NC(=S)[*:1] C[C@H]1CN(C)[C@@H](C)[C@@H](C=C(C#N)[*:1])C1=O
CN(CCOc1ccc(Cl)cc1)C(=O)CN1CSCC1=O O=C1CSCN1[*:1] CN(CCOc1ccc(Cl)cc1)C(=O)C[*:1]
CN(CCOc1ccc(Cl)cc1)C(=O)CN1CSCC1=O O=C1CSCN1C[*:1] CN(CCOc1ccc(Cl)cc1)C(=O)[*:1]
CN(CCOc1ccc(Cl)cc1)C(=O)CN1CSCC1=O Clc1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)CN1CSCC1=O
CC(=O)c1ccc(CC(=O)N2CCC[C@@H](C)C2)cc1 CC(=O)[*:1] C[C@@H]1CCCN(C1)C(=O)Cc1ccc(cc1)[*:1]
Cc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2sc(C)nc2C)c1 Cc1nc(C)c(s1)[*:1] Cc1cccc(c1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
Cc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2sc(C)nc2C)c1 Cc1cccc(c1)[*:1] Cc1nc(C)c(s1)C(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1[*:1]
Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@@H](C)c1ccncc1 O=C1CCCN1[*:1] Cc1cc(ccc1S(=O)(=O)N[C@@H](C)c1ccncc1)[*:1]
Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] Cc1cc(ccc1S(=O)(=O)N[C@@H](C)[*:1])N1CCCC1=O
Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@@H](C)c1ccncc1 C[C@@H](c1ccncc1)[*:1] Cc1cc(ccc1S(=O)(=O)N[*:1])N1CCCC1=O
CCN(CCOC)c1nc(Cl)ncc1Br COC[*:1] CCN(C[*:1])c1nc(Cl)ncc1Br
CCN(CCOC)c1nc(Cl)ncc1Br COCC[*:1] CCN(c1nc(Cl)ncc1Br)[*:1]
O=C(CCn1c(-c2ccccc2)cc2ccccc21)Nc1nccs1 c1csc(n1)[*:1] O=C(CCn1c(cc2ccccc21)-c1ccccc1)N[*:1]
O=C(CCn1c(-c2ccccc2)cc2ccccc21)Nc1nccs1 O=C(Nc1nccs1)[*:1] c1ccc(cc1)-c1cc2ccccc2n1CC[*:1]
O=C(CCn1c(-c2ccccc2)cc2ccccc21)Nc1nccs1 c1ccc(cc1)[*:1] O=C(CCn1c(cc2ccccc21)[*:1])Nc1nccs1
CCCCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 CCCC[*:1] N#C[C@H](C(=O)[*:1])c1nc2cc(Cl)ccc2s1
CCCCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 CCCCC(=O)[*:1] N#C[C@@H](c1nc2cc(Cl)ccc2s1)[*:1]
CCCCC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 CCC[*:1] N#C[C@H](C(=O)C[*:1])c1nc2cc(Cl)ccc2s1
CC(=O)N1CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC(=O)N1CCCN(CC1)C(=O)NCC#Cc1cccc(c1)[*:1]
CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(F)cc1 CC(C)(C)[*:1] CC(C)(C[*:1])NS(=O)(=O)c1ccc(F)cc1
CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(F)cc1 CC(C)(C)C[*:1] CC(C)(NS(=O)(=O)c1ccc(F)cc1)[*:1]
CCOC(=O)CCC[NH2+][C@H]1CCOC2(CCOCC2)C1 CCOC(=O)C[*:1] C(C[*:1])[NH2+][C@H]1CCOC2(CCOCC2)C1
CCOC(=O)CCC[NH2+][C@H]1CCOC2(CCOCC2)C1 CCOC(=O)[*:1] C(C[NH2+][C@H]1CCOC2(CCOCC2)C1)C[*:1]
O=C(Nc1cccc2cccnc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Nc1cccc2cccnc12)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCCc1nc(C[NH2+]CC2CCC(C(=O)[O-])CC2)no1 O=C([O-])[*:1] CCCc1nc(C[NH2+]CC2CCC(CC2)[*:1])no1
CCCc1nc(C[NH2+]CC2CCC(C(=O)[O-])CC2)no1 CCC[*:1] O=C([O-])C1CCC(CC1)C[NH2+]Cc1noc(n1)[*:1]
Cc1[nH+]cn(CC(=O)N2C[C@@H](C[NH+]3CCCC3)C[C@@H](CO)C2)c1C Cc1[nH+]cn(c1C)[*:1] O=C(C[*:1])N1C[C@H](C[C@@H](CO)C1)C[NH+]1CCCC1
Cc1[nH+]cn(CC(=O)N2C[C@@H](C[NH+]3CCCC3)C[C@@H](CO)C2)c1C Cc1[nH+]cn(C[*:1])c1C O=C(N1C[C@H](C[C@@H](CO)C1)C[NH+]1CCCC1)[*:1]
CC(C)CCN1C(=O)CC[C@@]1(C)C(=O)NC1CCCCCCC1 CC(C)C[*:1] C[C@]1(CCC(=O)N1C[*:1])C(=O)NC1CCCCCCC1
CC(C)CCN1C(=O)CC[C@@]1(C)C(=O)NC1CCCCCCC1 CC(C)[*:1] C[C@]1(CCC(=O)N1CC[*:1])C(=O)NC1CCCCCCC1
CC(C)CCN1C(=O)CC[C@@]1(C)C(=O)NC1CCCCCCC1 CC(C)CC[*:1] C[C@]1(CCC(=O)N1[*:1])C(=O)NC1CCCCCCC1
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2cccc(-c3cn[nH]c3)c2)C1 CC(C)(C)[*:1] O=C(N[C@H]1CC[C@@H](C1)C(=O)Nc1cccc(c1)-c1cn[nH]c1)O[*:1]
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2cccc(-c3cn[nH]c3)c2)C1 c1n[nH]cc1[*:1] CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C1)C(=O)Nc1cccc(c1)[*:1]
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2cccc(-c3cn[nH]c3)c2)C1 CC(C)(C)OC(=O)N[*:1] O=C(Nc1cccc(c1)-c1cn[nH]c1)[C@H]1CC[C@@H](C1)[*:1]
Cc1ccc(SCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)SCC(=O)NNC(=O)CO[*:1]
Cc1ccc(SCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 Brc1ccc(cc1)O[*:1] Cc1ccc(cc1)SCC(=O)NNC(=O)C[*:1]
Cc1ccc(SCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 Cc1ccc(cc1)S[*:1] O=C(COc1ccc(Br)cc1)NNC(=O)C[*:1]
Cc1ccc(SCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1)NNC(=O)CS[*:1]
COc1ccc(N(C(=O)c2ccc(C)nc2)C(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)N(C(=O)c1ccc(C)nc1)[*:1]
COc1ccc(N(C(=O)c2ccc(C)nc2)C(C)C)cc1F Cc1ccc(cn1)[*:1] COc1ccc(cc1F)N(C(=O)[*:1])C(C)C
C[C@@H](CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O)[*:1]
C[C@@H](CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O)N1CCOCC1 C[C@@H](N1CCOCC1)[*:1] O=C(CC[C@@H]1Cc2ccccc2NC1=O)NC[*:1]
O=[N+]([O-])c1ccc2c(c1)=[NH+][C@H](SC[C@H]1N=C3C=CC(Cl)=CN3[C@H]1Br)[NH+]=2 O=[N+]([O-])[*:1] ClC1C=CC2=N[C@H](CS[C@@H]3[NH+]=c4ccc(cc4=[NH+]3)[*:1])[C@H](Br)N2C=1
COC(C)(C)c1noc(-c2csc(CNC(=O)OC(C)(C)C)n2)n1 COC(C)(C)[*:1] CC(C)(C)OC(=O)NCc1nc(cs1)-c1nc(no1)[*:1]
COC(C)(C)c1noc(-c2csc(CNC(=O)OC(C)(C)C)n2)n1 CC(C)(C)[*:1] COC(C)(C)c1noc(n1)-c1csc(CNC(=O)O[*:1])n1
COC(C)(C)c1noc(-c2csc(CNC(=O)OC(C)(C)C)n2)n1 CC(C)(C)OC(=O)N[*:1] COC(C)(C)c1noc(n1)-c1csc(C[*:1])n1
CS[C@H]1CC[C@@H](NC(=O)NCc2ccnc(OC(C)(C)C)c2)C1 CC(C)(C)O[*:1] CS[C@H]1CC[C@H](C1)NC(=O)NCc1ccnc(c1)[*:1]
CS[C@H]1CC[C@@H](NC(=O)NCc2ccnc(OC(C)(C)C)c2)C1 CC(C)(C)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)NCc1ccnc(c1)O[*:1]
COC(=O)C[C@@H](NC(=O)c1cc(F)ccc1C)c1ccc(SC)cc1 COC(=O)C[*:1] CSc1ccc(cc1)[C@H](NC(=O)c1cc(F)ccc1C)[*:1]
COC(=O)C[C@@H](NC(=O)c1cc(F)ccc1C)c1ccc(SC)cc1 Cc1ccc(F)cc1[*:1] COC(=O)C[C@@H](NC(=O)[*:1])c1ccc(cc1)SC
COC(=O)C[C@@H](NC(=O)c1cc(F)ccc1C)c1ccc(SC)cc1 COC(=O)[*:1] CSc1ccc(cc1)[C@@H](C[*:1])NC(=O)c1cc(F)ccc1C
COC(=O)C[C@@H](NC(=O)c1cc(F)ccc1C)c1ccc(SC)cc1 CSc1ccc(cc1)[*:1] COC(=O)C[C@@H](NC(=O)c1cc(F)ccc1C)[*:1]
CCCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@]12C(=O)N(C)c1ccccc12 CCC[*:1] CN1C(=O)[C@@]2(c3ccccc31)[C@@H]1[NH+]=c3ccccc3=C1CCN2C(=O)[*:1]
CNC(=O)c1ccc(CNC(=O)c2nc(C3CC3)n3ccccc23)cc1 CNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1nc(C2CC2)n2ccccc12
CNC(=O)c1ccc(CNC(=O)c2nc(C3CC3)n3ccccc23)cc1 C1CC1[*:1] CNC(=O)c1ccc(cc1)CNC(=O)c1nc(n2ccccc12)[*:1]
CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(c3ncccn3)C2)[C@H](C)C1 c1cnc(nc1)[*:1] CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C2)[*:1])[C@H](C)C1
CCN1c2ccccc2C2=C([C@H](c3ccc(Br)cc3)C(C#N)=C(N)O2)S1(=O)=O Brc1ccc(cc1)[*:1] CCN1c2ccccc2C2OC(N)=C(C#N)[C@@H](C=2S1(=O)=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)cc1Cl O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1C(=O)Nc1ccc(F)cc1Cl)[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)N1CCOCC1
O=C(NCCc1ccc2c(c1)CCO2)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] O=C(NCCc1ccc2OCCc2c1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCc1ccc2c(c1)CCO2)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] O=C(NCCc1ccc2OCCc2c1)[C@@H]1CC(=O)N(C1)C[*:1]
CCCCn1nc(C(=O)Nc2ccc(C(C)=O)c(C)c2)ccc1=O CCC[*:1] CC(=O)c1ccc(cc1C)NC(=O)c1ccc(=O)n(C[*:1])n1
CCCCn1nc(C(=O)Nc2ccc(C(C)=O)c(C)c2)ccc1=O CCCC[*:1] CC(=O)c1ccc(cc1C)NC(=O)c1ccc(=O)n(n1)[*:1]
CCCCn1nc(C(=O)Nc2ccc(C(C)=O)c(C)c2)ccc1=O CC(=O)[*:1] CCCCn1nc(ccc1=O)C(=O)Nc1ccc(c(C)c1)[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(C[S@](C)=O)c2)C1 C[S@](=O)C[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)c1cccc(c1)[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(C[S@](C)=O)c2)C1 C[S@](=O)[*:1] C[C@@H]1CCC[C@H](C1)N(C)C(=O)c1cccc(c1)C[*:1]
C[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(C[S@](C)=O)c2)C1 C[C@@H]1CCC[C@@H](C1)[*:1] CN(C(=O)c1cccc(c1)C[S@](C)=O)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 CC(=O)[*:1] CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 Clc1ccc(cc1Cl)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N(C)CC(=O)N[*:1]
Cc1ccc(/C=C/C(=O)N[C@H](C)[C@@H]2CCCO2)s1 Cc1ccc(s1)[*:1] C[C@@H](NC(=O)C=C[*:1])[C@@H]1CCCO1
Cc1ccc(/C=C/C(=O)N[C@H](C)[C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] Cc1ccc(/C=C/C(=O)N[C@H](C)[*:1])s1
c1ccc2c(c1)[nH+]c(N1CCOCC1)n2CCN1CCOCC1 C1CN(CCO1)C[*:1] c1ccc2c(c1)[nH+]c(N1CCOCC1)n2C[*:1]
c1ccc2c(c1)[nH+]c(N1CCOCC1)n2CCN1CCOCC1 C1CN(CCO1)[*:1] c1ccc2c(c1)[nH+]c(n2CCN1CCOCC1)[*:1]
c1ccc2c(c1)[nH+]c(N1CCOCC1)n2CCN1CCOCC1 C1CN(CCO1)[*:1] c1ccc2c(c1)[nH+]c(N1CCOCC1)n2CC[*:1]
COC(=O)[C@@]1(C)CCN(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 COC(=O)[*:1] C[C@]1(CCN(C1)C(=O)Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
Cc1cccc(-n2ccnc2SCc2nc3ccsc3c(=O)[nH]2)c1C Cc1cccc(c1C)[*:1] O=c1[nH]c(CSc2nccn2[*:1])nc2ccsc12
O=C([O-])CSc1nc(-c2cccc(F)c2)n[nH]1 O=C([O-])[*:1] Fc1cccc(c1)-c1n[nH]c(n1)SC[*:1]
O=C([O-])CSc1nc(-c2cccc(F)c2)n[nH]1 O=C([O-])C[*:1] Fc1cccc(c1)-c1n[nH]c(n1)S[*:1]
O=C([O-])CSc1nc(-c2cccc(F)c2)n[nH]1 O=C([O-])CS[*:1] Fc1cccc(c1)-c1n[nH]c(n1)[*:1]
Cc1cc(C)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(Cl)cc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cn1cccc1Cc1nnc(SCC(=O)N[*:1])n1-c1ccc(Cl)cc1
Cc1cc(C)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(Cl)cc2)c(C)c1 Cn1cccc1[*:1] Cc1cc(C)c(NC(=O)CSc2nnc(C[*:1])n2-c2ccc(Cl)cc2)c(C)c1
Cc1cc(C)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(Cl)cc2)c(C)c1 Cn1cccc1C[*:1] Cc1cc(C)c(NC(=O)CSc2nnc(n2-c2ccc(Cl)cc2)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(Cl)cc2)c(C)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CSc2nnc(Cc3cccn3C)n2[*:1])c(C)c1
CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 NC(=O)N[*:1] CC(C)[C@H](C(=O)NNC(=O)c1cc2C[C@H](C)CCc2s1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 CC(C)[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)NNC(=O)[C@@H](NC(N)=O)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 CC(C)[C@H](NC(N)=O)[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)NNC(=O)[*:1]
C[C@H](C(=O)NC1(C(=O)[O-])CCCC1)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)NC1(CCCC1)C(=O)[O-])[*:1]
C[C@H](C(=O)NC1(C(=O)[O-])CCCC1)c1cccs1 O=C([O-])[*:1] C[C@H](C(=O)NC1(CCCC1)[*:1])c1cccs1
NC(=O)c1cccc(CNC(=O)[C@H]2COc3ccc(F)cc3C2)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1COc2ccc(F)cc2C1
C[C@H](Cc1ccsc1)NC(=O)NCC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cc1ccsc1)NC(=O)NCC(=O)N[*:1]
C[C@H](Cc1ccsc1)NC(=O)NCC(=O)Nc1ccccc1 c1cc(cs1)C[*:1] C[C@H](NC(=O)NCC(=O)Nc1ccccc1)[*:1]
C[C@H](Cc1ccsc1)NC(=O)NCC(=O)Nc1ccccc1 c1cc(cs1)[*:1] C[C@H](C[*:1])NC(=O)NCC(=O)Nc1ccccc1
Cc1cccc(CC(=O)N2CCN(Cc3ccsc3)CC2)c1 c1cc(cs1)C[*:1] Cc1cccc(c1)CC(=O)N1CCN(CC1)[*:1]
Cc1cccc(CC(=O)N2CCN(Cc3ccsc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccsc1
Cc1cccc(CC(=O)N2CCN(Cc3ccsc3)CC2)c1 c1cc(cs1)[*:1] Cc1cccc(c1)CC(=O)N1CCN(CC1)C[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccccc2s1 COC(=O)[*:1] O=C(CSc1nc2ccccc2s1)N[C@H]1CCCC[C@H]1[*:1]
O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC[C@H]1CCCO1 Fc1cccc(Cl)c1[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])NC[C@H]1CCCO1
O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC[*:1]
O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[*:1]
CCS[C@H]1CCC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] CCS[C@H]1CCC[C@@H](C1)NC(=O)CCc1cccc(c1)[*:1]
CCS[C@H]1CCC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 CCS[*:1] O=C(CCc1cccc(c1)[N+](=O)[O-])N[C@H]1CCC[C@@H](C1)[*:1]
C/C(=N\O)[C@@H]1C[C@@]2(C)CC[C@@H]1C2(C)C CC(=NO)[*:1] CC1(C)[C@H]2CC[C@]1(C)C[C@H]2[*:1]
CN(CC(N)=O)C(=O)c1ccc(C[NH3+])cc1 NC(=O)C[*:1] CN(C(=O)c1ccc(cc1)C[NH3+])[*:1]
CN(CC(N)=O)C(=O)c1ccc(C[NH3+])cc1 NC(=O)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)C[NH3+]
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNC(=O)C[NH+](C)C Fc1ccc(cc1)[*:1] Cc1nc(C[*:1])sc1C(=O)NNC(=O)C[NH+](C)C
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNC(=O)C[NH+](C)C Fc1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)NNC(=O)C[NH+](C)C)[*:1]
CC/C(=C\c1ccc(Cl)s1)C[NH2+]C(C)C CC(C)[*:1] CC/C(=C\c1ccc(Cl)s1)C[NH2+][*:1]
O=C(Nc1nc(C2CC2)cs1)c1n[nH]c(C2CC2)n1 C1CC1[*:1] O=C(Nc1nc(cs1)C1CC1)c1n[nH]c(n1)[*:1]
O=C(Nc1nc(C2CC2)cs1)c1n[nH]c(C2CC2)n1 C1CC1[*:1] O=C(Nc1nc(cs1)[*:1])c1n[nH]c(n1)C1CC1
CN(C)C(=O)CCNc1cc[nH+]c2cc(C(F)(F)F)ccc12 CN(C)C(=O)[*:1] FC(F)(F)c1ccc2c(cc[nH+]c2c1)NCC[*:1]
CN(C)C(=O)CCNc1cc[nH+]c2cc(C(F)(F)F)ccc12 CN(C)C(=O)CC[*:1] FC(F)(F)c1ccc2c(cc[nH+]c2c1)N[*:1]
CN(C)C(=O)CCNc1cc[nH+]c2cc(C(F)(F)F)ccc12 CN(C)C(=O)C[*:1] FC(F)(F)c1ccc2c(cc[nH+]c2c1)NC[*:1]
CN(C)C(=O)CCNc1cc[nH+]c2cc(C(F)(F)F)ccc12 FC(F)(F)[*:1] CN(C)C(=O)CCNc1cc[nH+]c2cc(ccc12)[*:1]
N#C[C@@H]1COCCN1Cc1cc(O)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#C[C@@H]1COCCN1Cc1cc(O)ccc1[*:1]
CCN(C(=O)NCc1nncn1CC)[C@H]1CCN(c2ccccc2)C1=O CCn1cnnc1C[*:1] CCN(C(=O)N[*:1])[C@H]1CCN(C1=O)c1ccccc1
CCN(C(=O)NCc1nncn1CC)[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCN(C(=O)NCc1nncn1CC)[C@H]1CCN(C1=O)[*:1]
CCN(C(=O)NCc1nncn1CC)[C@H]1CCN(c2ccccc2)C1=O CCn1cnnc1[*:1] CCN(C(=O)NC[*:1])[C@H]1CCN(C1=O)c1ccccc1
CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 CC(C)[*:1] O=C1C[C@H](C(=O)N(C[C@@H]2CCCCO2)[*:1])c2ccc(F)cc2N1
CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 C1CC[C@@H](C[*:1])OC1 CC(C)N(C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 C1CC[C@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21
Cc1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@H](C)c1cccc2ccccc12
Cc1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)cc1S(=O)(=O)N1CCOCC1 c1ccc2c(cccc2c1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@H](C)[*:1]
Cn1cc(C#N)cc1C(=O)OCC1CCC1 C1CC(C1)[*:1] Cn1cc(C#N)cc1C(=O)OC[*:1]
Cn1cc(C#N)cc1C(=O)OCC1CCC1 C1CC(C1)C[*:1] Cn1cc(C#N)cc1C(=O)O[*:1]
CC(C)n1nccc1NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 CC(C)n1nccc1[*:1] O=C(N[*:1])N1CCC(CC1)c1c[nH]c2ccccc12
CC(C)n1nccc1NC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 CC(C)[*:1] O=C(Nc1ccnn1[*:1])N1CCC(CC1)c1c[nH]c2ccccc12
Cc1c(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cnn1C Cc1c(cnn1C)[*:1] Clc1ccc2[nH]cc(CC[NH2+]C[*:1])c2c1
CCCn1ccnc1C[C@@H]([NH2+]CC)[C@@]1(C)CCCO1 CCC[*:1] CC[NH2+][C@H](Cc1nccn1[*:1])[C@@]1(C)CCCO1
O=C(NC1CCCCC1)C1CCN(C(=O)c2cc3sccn3c2)CC1 C1CCC(CC1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cc2sccn2c1
C[C@@H](CCS)CCOc1cccc2ccccc12 SCC[*:1] C[C@@H](CCOc1cccc2ccccc12)[*:1]
CC(=O)N(C)c1cccc(NC(=O)c2cccc(Oc3cnccn3)c2)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)Oc1cnccn1
CC(=O)N(C)c1cccc(NC(=O)c2cccc(Oc3cnccn3)c2)c1 c1cnc(cn1)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)c1cccc(c1)O[*:1]
CC(=O)N(C)c1cccc(NC(=O)c2cccc(Oc3cnccn3)c2)c1 c1cnc(cn1)O[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)c1cccc(c1)[*:1]
C[C@@H]1CCCCN1C(=O)[C@@H](C)n1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)[C@@H](C)n1nc(ccc1=O)[*:1]
OCC1([NH2+]Cc2ccc(OCc3ccccn3)cc2)CCOCC1 c1ccc(CO[*:1])nc1 OCC1(CCOCC1)[NH2+]Cc1ccc(cc1)[*:1]
OCC1([NH2+]Cc2ccc(OCc3ccccn3)cc2)CCOCC1 c1ccc(nc1)[*:1] OCC1(CCOCC1)[NH2+]Cc1ccc(cc1)OC[*:1]
OCC1([NH2+]Cc2ccc(OCc3ccccn3)cc2)CCOCC1 c1ccc(C[*:1])nc1 OCC1(CCOCC1)[NH2+]Cc1ccc(cc1)O[*:1]
CS[C@H]1CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)[C@H](C)NS(=O)(=O)[*:1]
Cc1ccc(CNC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1nc2ccc(nn2c1=O)SC1CCCCC1)NC[*:1]
Cc1ccc(CNC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(Cn1nc2ccc(nn2c1=O)SC1CCCCC1)N[*:1]
Cc1ccc(CNC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)cc1 C1CCC(CC1)S[*:1] Cc1ccc(cc1)CNC(=O)Cn1nc2ccc(nn2c1=O)[*:1]
Cc1ccc(CNC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)CNC(=O)Cn1nc2ccc(nn2c1=O)S[*:1]
CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 O=[N+]([O-])[*:1] CC[C@H](CNC(=O)c1ccc(cc1F)[*:1])c1ccccc1
CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CNC(=O)c1ccc(cc1F)[N+](=O)[O-])[*:1]
C[C@H]1CC(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N[C@@H](C[NH+](C)C)[*:1]
O=C(Cc1ccc[nH]1)Nc1cccc(C[NH+]2CCCCC2)c1 c1c[nH]c(c1)C[*:1] O=C(Nc1cccc(c1)C[NH+]1CCCCC1)[*:1]
O=C(Cc1ccc[nH]1)Nc1cccc(C[NH+]2CCCCC2)c1 c1c[nH]c(c1)[*:1] O=C(C[*:1])Nc1cccc(c1)C[NH+]1CCCCC1
C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(CO)c1 C=CC[C@H](C)[*:1] C[C@@H]([NH2+]Cc1ccc(F)c(c1)CO)[*:1]
C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(CO)c1 C=CC[*:1] C[C@H]([C@@H](C)[NH2+]Cc1ccc(F)c(c1)CO)[*:1]
COc1ccccc1C1(CNC(=O)C2(c3ccccc3OC)CCOCC2)CCOCC1 COc1ccccc1[*:1] COc1ccccc1C1(CCOCC1)CNC(=O)C1(CCOCC1)[*:1]
COc1ccccc1C1(CNC(=O)C2(c3ccccc3OC)CCOCC2)CCOCC1 COc1ccccc1[*:1] COc1ccccc1C1(CCOCC1)C(=O)NCC1(CCOCC1)[*:1]
C[C@@H]1NC(=O)[C@@](C)(C2CC2)N(Cc2cccc(O)c2)C1=O C1CC1[*:1] C[C@@H]1NC(=O)[C@@](C)(N(Cc2cccc(O)c2)C1=O)[*:1]
C[C@@H]1NC(=O)[C@@](C)(C2CC2)N(Cc2cccc(O)c2)C1=O Oc1cccc(c1)[*:1] C[C@@H]1NC(=O)[C@@](C)(C2CC2)N(C[*:1])C1=O
Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)c1ccc2ccccc2c1 Cc1cccc(C)c1[*:1] O=C(CCCS(=O)(=O)c1ccc2ccccc2c1)N[*:1]
COc1ccc(C(=O)Nn2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nn1ccc2c(nnc3c(c(C)nn32)[*:1])c1=O
COc1ccc(C(=O)Nn2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)NC(=O)[*:1])c1-c1ccccc1
CCOC(=O)[C@H](C)CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] CCOC(=O)[C@H](C)CNC(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CCOC(=O)[C@H](C)CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CCOC(=O)[*:1] C[C@H](CNC(=O)Nc1ccc2[nH]c(nc2c1)C(F)F)[*:1]
CCOC(=O)[C@H](C)CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CCOC(=O)[C@H](C)C[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)N[*:1]
CCOC(=O)[C@H](C)CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 CCOC(=O)[C@H](C)[*:1] O=C(NC[*:1])Nc1ccc2[nH]c(nc2c1)C(F)F
O=C(Cn1c(NCCCO)nc2ccccc21)c1cccc2ccccc12 OCC[*:1] O=C(Cn1c(nc2ccccc21)NC[*:1])c1cccc2ccccc12
O=C(Cn1c(NCCCO)nc2ccccc21)c1cccc2ccccc12 OCCCN[*:1] O=C(Cn1c(nc2ccccc21)[*:1])c1cccc2ccccc12
O=C(Cn1c(NCCCO)nc2ccccc21)c1cccc2ccccc12 OCCC[*:1] O=C(Cn1c(nc2ccccc21)N[*:1])c1cccc2ccccc12
CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(-c2nnn[n-]2)c1 CCC[*:1] O=C(NCc1cccc(c1)-c1nnn[n-]1)[C@H]1CCCC[C@H]1C(=O)N[*:1]
CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(-c2nnn[n-]2)c1 CCCNC(=O)[*:1] O=C(NCc1cccc(c1)-c1nnn[n-]1)[C@H]1CCCC[C@H]1[*:1]
Cc1ccc(-c2csc(N3C(=O)C[C@H]4CS(=O)(=O)C[C@@H]43)n2)cc1C Cc1ccc(cc1C)[*:1] O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1nc(cs1)[*:1]
N#C[C@@H]1C(=O)N=C2NC(N3CCCCC3)=NC([O-])=C2[C@@H]1c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] N#C[C@@H]1C(=O)N=C2NC(=NC([O-])=C2[C@H]1[*:1])N1CCCCC1
COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)c1 COc1cccc(c1)[*:1] O=C(Nc1c2C[S@](=O)Cc2nn1-c1cccc(Cl)c1)[*:1]
COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)c1 Clc1cccc(c1)[*:1] COc1cccc(c1)C(=O)Nc1c2C[S@](=O)Cc2nn1[*:1]
COc1ccc2c(C(=O)NCc3nc4ccccc4n3Cc3ccccc3)cc(=O)oc2c1 c1ccc(cc1)[*:1] COc1ccc2c(cc(=O)oc2c1)C(=O)NCc1nc2ccccc2n1C[*:1]
COc1ccc2c(C(=O)NCc3nc4ccccc4n3Cc3ccccc3)cc(=O)oc2c1 c1ccc(cc1)C[*:1] COc1ccc2c(cc(=O)oc2c1)C(=O)NCc1nc2ccccc2n1[*:1]
COC(=O)N1CCC(CNS(=O)(=O)c2ccccc2Br)CC1 Brc1ccccc1[*:1] COC(=O)N1CCC(CC1)CNS(=O)(=O)[*:1]
C#CCN(C(=O)N[C@@H](C)C(C)(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(C(=O)N[C@@H](C)C(C)(C)c1ccccc1)[*:1]
C#CCN(C(=O)N[C@@H](C)C(C)(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] C#CCN(C(=O)N[C@@H](C)C(C)(C)[*:1])[C@H]1CCS(=O)(=O)C1
C#CCN(C(=O)N[C@@H](C)C(C)(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] C[C@H](NC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1])C(C)(C)c1ccccc1
CC(C)(C)Sc1ccc2nn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)n2n1 CC(C)(C)S[*:1] O=C(Cn1nc2ccc(nn2c1=O)[*:1])Nc1ccc(F)c(Cl)c1
CC(C)(C)Sc1ccc2nn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)n2n1 CC(C)(C)[*:1] O=C(Cn1nc2ccc(nn2c1=O)S[*:1])Nc1ccc(F)c(Cl)c1
CC(C)(C)Sc1ccc2nn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)n2n1 Fc1ccc(cc1Cl)[*:1] CC(C)(C)Sc1ccc2nn(CC(=O)N[*:1])c(=O)n2n1
CCCCN1C(=O)/C(=C2/C[C@@H](c3cccc([N+](=O)[O-])c3)Sc3ccccc3N2)C(=O)NC1=S CCC[*:1] O=C1NC(=S)N(C[*:1])C(=O)/C1=C1/C[C@H](Sc2ccccc2N1)c1cccc(c1)[N+](=O)[O-]
CCCCN1C(=O)/C(=C2/C[C@@H](c3cccc([N+](=O)[O-])c3)Sc3ccccc3N2)C(=O)NC1=S O=[N+]([O-])c1cccc(c1)[*:1] CCCCN1C(=O)/C(C(=O)NC1=S)=C1/C[C@@H](Sc2ccccc2N1)[*:1]
CCCCN1C(=O)/C(=C2/C[C@@H](c3cccc([N+](=O)[O-])c3)Sc3ccccc3N2)C(=O)NC1=S CCCC[*:1] O=C1NC(=S)N(C(=O)/C1=C1/C[C@H](Sc2ccccc2N1)c1cccc(c1)[N+](=O)[O-])[*:1]
CCCCN1C(=O)/C(=C2/C[C@@H](c3cccc([N+](=O)[O-])c3)Sc3ccccc3N2)C(=O)NC1=S O=[N+]([O-])[*:1] CCCCN1C(=O)/C(C(=O)NC1=S)=C1/C[C@H](Sc2ccccc2N1)c1cccc(c1)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OC[C@H]2CCCO2)c(Br)c1 O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)c1ccc(OC[C@H]2CCCO2)c(Br)c1)[*:1]
C[C@H]1C[NH+]=C(N2CCN(C(=O)C(=O)NCc3ccc(F)cc3)CC2)S1 Fc1ccc(cc1)C[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)C(=O)N[*:1]
C[C@H]1C[NH+]=C(N2CCN(C(=O)C(=O)NCc3ccc(F)cc3)CC2)S1 Fc1ccc(cc1)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)C(=O)NC[*:1]
CC(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 CC(C)[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)[*:1]
Cc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1[*:1]
Cc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 Cc1ccc(cc1)C(=O)[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)[*:1]
Cc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C[*:1]
O=C(Nc1ccc2[nH]ncc2c1)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] O=C(Nc1ccc2[nH]ncc2c1)c1ccc(cc1F)[*:1]
C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C(F)(F)F)cc1 O=C(N[*:1])C(F)(F)F C/C(=N/NC(=O)Cc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1]
C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C(F)(F)F)cc1 O=[N+]([O-])[*:1] C/C(=N/NC(=O)Cc1ccc(cc1)[*:1])c1ccc(cc1)NC(=O)C(F)(F)F
C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C(F)(F)F)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] C/C(=N/NC(=O)C[*:1])c1ccc(cc1)NC(=O)C(F)(F)F
C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C(F)(F)F)cc1 FC(F)(F)[*:1] C/C(=N/NC(=O)Cc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)NC(=O)[*:1]
NC(=S)c1ccc(OCCn2cccnc2=O)cc1 NC(=S)[*:1] O=c1ncccn1CCOc1ccc(cc1)[*:1]
O=C(Nc1cc(F)cc(N2CCCC2)c1)C1CCN(C(=O)c2ccoc2)CC1 C1CCN(C1)[*:1] O=C(Nc1cc(F)cc(c1)[*:1])C1CCN(CC1)C(=O)c1ccoc1
O=C(Nc1cc(F)cc(N2CCCC2)c1)C1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] O=C(Nc1cc(F)cc(c1)N1CCCC1)C1CCN(CC1)C(=O)[*:1]
CCC[C@]1(C)CCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 C1CCN(C1)[*:1] CCC[C@]1(C)CCCN(C1)C(=O)NCc1ccc([nH+]c1)[*:1]
CCC[C@]1(C)CCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 CCC[*:1] C[C@@]1(CCCN(C1)C(=O)NCc1ccc([nH+]c1)N1CCCC1)[*:1]
O[C@@]1(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CCOC1 C1CCN(C1)[*:1] O[C@]1(CCOC1)C[NH2+]Cc1c(Cl)cccc1[*:1]
O=C(N[C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] O=C(N[C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccnc(c1)[*:1]
O=C(N[C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] O=C(N[C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccnc(c1)O[*:1]
COc1ccc(CNC(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@]2(C)CC[C@H]2O[C@H](C[NH3+])OC[C@@]32C)cc1 COc1ccc(cc1)[*:1] C[C@]12CC[C@H]3O[C@H](C[NH3+])OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)NC[*:1]
COc1ccc(CNC(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@]2(C)CC[C@H]2O[C@H](C[NH3+])OC[C@@]32C)cc1 COc1ccc(cc1)C[*:1] C[C@]12CC[C@H]3O[C@H](C[NH3+])OC[C@@]3(C)[C@H]1CC[C@@H](O)[C@H]2CC(=O)N[*:1]
O=C(Nc1cccc(C2SCCCS2)c1)[C@@H]1C[C@@H]1c1ccco1 C1CSC(SC1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1C[C@@H]1c1ccco1
O=C(Nc1cccc(C2SCCCS2)c1)[C@@H]1C[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)C1SCCCS1)[C@@H]1C[C@H]1[*:1]
CCC(CC)c1nnc(NC(=O)NC[C@@H](O)c2ccccc2F)s1 Fc1ccccc1[*:1] CCC(CC)c1nnc(NC(=O)NC[C@@H](O)[*:1])s1
CCC(CC)c1nnc(NC(=O)NC[C@@H](O)c2ccccc2F)s1 CCC(CC)[*:1] O=C(NC[C@@H](O)c1ccccc1F)Nc1nnc(s1)[*:1]
Cc1cc(CNC[C@@H](O)c2ccc(Cl)cc2)cc(C)c1F Clc1ccc(cc1)[*:1] Cc1cc(cc(C)c1F)CNC[C@@H](O)[*:1]
COc1cccc(O[C@H](C)CNC(=O)N2CCN(Cc3ccon3)CC2)c1 c1cc(C[*:1])no1 COc1cccc(c1)O[C@H](C)CNC(=O)N1CCN(CC1)[*:1]
COc1cccc(O[C@H](C)CNC(=O)N2CCN(Cc3ccon3)CC2)c1 COc1cccc(c1)[*:1] C[C@H](CNC(=O)N1CCN(CC1)Cc1ccon1)O[*:1]
COc1cccc(O[C@H](C)CNC(=O)N2CCN(Cc3ccon3)CC2)c1 c1cc(no1)[*:1] COc1cccc(c1)O[C@H](C)CNC(=O)N1CCN(CC1)C[*:1]
COc1cccc(O[C@H](C)CNC(=O)N2CCN(Cc3ccon3)CC2)c1 COc1cccc(c1)O[*:1] C[C@H](CNC(=O)N1CCN(CC1)Cc1ccon1)[*:1]
CCOCCCNC(=O)C1CCN(C(=O)NC(C)C)CC1 CCO[*:1] CC(C)NC(=O)N1CCC(CC1)C(=O)NCCC[*:1]
CCOCCCNC(=O)C1CCN(C(=O)NC(C)C)CC1 CC(C)[*:1] CCOCCCNC(=O)C1CCN(CC1)C(=O)N[*:1]
CCOCCCNC(=O)C1CCN(C(=O)NC(C)C)CC1 CCOCCC[*:1] CC(C)NC(=O)N1CCC(CC1)C(=O)N[*:1]
CCOCCCNC(=O)C1CCN(C(=O)NC(C)C)CC1 CCOCC[*:1] CC(C)NC(=O)N1CCC(CC1)C(=O)NC[*:1]
CCOCCCNC(=O)C1CCN(C(=O)NC(C)C)CC1 CCOC[*:1] CC(C)NC(=O)N1CCC(CC1)C(=O)NCC[*:1]
CC(C)c1cccc2sc(N(Cc3ccco3)C(=O)[C@@H]3CCCCN3S(C)(=O)=O)nc12 c1coc(c1)C[*:1] CC(C)c1cccc2sc(nc12)N(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)[*:1]
CC(C)c1cccc2sc(N(Cc3ccco3)C(=O)[C@@H]3CCCCN3S(C)(=O)=O)nc12 CC(C)[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)N(Cc1ccco1)c1nc2c(cccc2s1)[*:1]
CC(C)c1cccc2sc(N(Cc3ccco3)C(=O)[C@@H]3CCCCN3S(C)(=O)=O)nc12 c1coc(c1)[*:1] CC(C)c1cccc2sc(nc12)N(C[*:1])C(=O)[C@@H]1CCCCN1S(C)(=O)=O
CCC1(CNC(=O)NCCc2nnc3n2CCC3)CCC1 CCC1(CCC1)C[*:1] O=C(NCCc1nnc2CCCn21)N[*:1]
CCC1(CNC(=O)NCCc2nnc3n2CCC3)CCC1 CCC1(CCC1)[*:1] O=C(NCCc1nnc2CCCn21)NC[*:1]
O=C([O-])[C@H]1CC[C@@H](CN2CC(=O)N3CCCC[C@H]3C2=O)O1 O=C([O-])[*:1] O=C1[C@@H]2CCCCN2C(=O)CN1C[C@@H]1CC[C@@H](O1)[*:1]
CCN(C[C@H](C)C#N)C(=O)Nc1ccccc1C C[C@H](C#N)C[*:1] CCN(C(=O)Nc1ccccc1C)[*:1]
C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)sc2cc(F)cc(F)c21 C#CC[*:1] O=C(/N=c1\sc2cc(F)cc(F)c2n1[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccccc1
C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)sc2cc(F)cc(F)c21 c1ccc(cc1)[*:1] C#CCn1/c(=N/C(=O)[C@H]2CCCN(C2)S(=O)(=O)[*:1])sc2cc(F)cc(F)c21
Cc1oc(-c2ccco2)nc1C[NH+]1CCn2c(nnc2C(C)C)C1 c1coc(c1)[*:1] Cc1oc(nc1C[NH+]1CCn2c(C1)nnc2C(C)C)[*:1]
Cc1oc(-c2ccco2)nc1C[NH+]1CCn2c(nnc2C(C)C)C1 CC(C)[*:1] Cc1oc(nc1C[NH+]1CCn2c(C1)nnc2[*:1])-c1ccco1
CN(C)c1ccccc1C[NH+](C)CCN1CCCC1=O CN(C)[*:1] C[NH+](CCN1CCCC1=O)Cc1ccccc1[*:1]
CN(C)c1ccccc1C[NH+](C)CCN1CCCC1=O O=C1CCCN1[*:1] CN(C)c1ccccc1C[NH+](C)CC[*:1]
Cc1cc(C)cc(N2CC[C@@H](C(=O)NCc3ncn(C)n3)C2=O)c1 Cn1cnc(n1)[*:1] Cc1cc(C)cc(c1)N1CC[C@@H](C(=O)NC[*:1])C1=O
Cc1cc(C)cc(N2CC[C@@H](C(=O)NCc3ncn(C)n3)C2=O)c1 Cn1cnc(C[*:1])n1 Cc1cc(C)cc(c1)N1CC[C@@H](C(=O)N[*:1])C1=O
Cc1cc(C)cc(N2CC[C@@H](C(=O)NCc3ncn(C)n3)C2=O)c1 Cc1cc(C)cc(c1)[*:1] Cn1cnc(CNC(=O)[C@@H]2CCN(C2=O)[*:1])n1
C[C@H](C(=O)NCCc1cccs1)S(=O)(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](C(=O)NCCc1cccs1)S(=O)(=O)C[*:1]
C[C@H](C(=O)NCCc1cccs1)S(=O)(=O)Cc1cccc(F)c1 c1csc(c1)CC[*:1] C[C@H](C(=O)N[*:1])S(=O)(=O)Cc1cccc(F)c1
C[C@H](C(=O)NCCc1cccs1)S(=O)(=O)Cc1cccc(F)c1 c1csc(c1)C[*:1] C[C@H](C(=O)NC[*:1])S(=O)(=O)Cc1cccc(F)c1
C[C@H](C(=O)NCCc1cccs1)S(=O)(=O)Cc1cccc(F)c1 c1csc(c1)[*:1] C[C@H](C(=O)NCC[*:1])S(=O)(=O)Cc1cccc(F)c1
O=C(CC[C@@H]1CCCO1)NC1CCCCCC1 C1CO[C@@H](C1)[*:1] O=C(CC[*:1])NC1CCCCCC1
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccncc4)[C@H]3c3ccccc3)sc2c1 c1ccc(cc1)[*:1] Cc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@@H]1[*:1]
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccncc4)[C@H]3c3ccccc3)sc2c1 c1cc(ccn1)[*:1] Cc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccccc1
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccncc4)[C@H]3c3ccccc3)sc2c1 O=C(c1ccncc1)[*:1] Cc1ccc2nc(sc2c1)N1C(=O)C([O-])=C([C@H]1c1ccccc1)[*:1]
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccncc4)[C@H]3c3ccccc3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccccc1)[*:1])c1ccncc1
C[C@H]1Cc2cc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(F)cc3)ccc2O1 Fc1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2O1)CN(C)C(=O)CN(C)S(=O)(=O)[*:1]
CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 Clc1cccc(c1Cl)[*:1] CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ncc(C[*:1])s1
CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 CC(C)[*:1] O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H]1CCCN1C(=O)[*:1]
CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 Clc1cccc(C[*:1])c1Cl CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ncc(s1)[*:1]
COc1ccc(C2(NC(=O)CCC(C)C)CCCC2)cc1 CC(C)[*:1] COc1ccc(cc1)C1(CCCC1)NC(=O)CC[*:1]
COc1ccc(C2(NC(=O)CCC(C)C)CCCC2)cc1 CC(C)C[*:1] COc1ccc(cc1)C1(CCCC1)NC(=O)C[*:1]
COc1ccc(C2(NC(=O)CCC(C)C)CCCC2)cc1 CC(C)CC[*:1] COc1ccc(cc1)C1(CCCC1)NC(=O)[*:1]
C/[NH+]=C(/NC[C@@H](c1ccccc1)N1CCOCC1)N[C@@H]1C[C@@H]1C C1CN(CCO1)[*:1] C/[NH+]=C(/NC[C@@H](c1ccccc1)[*:1])N[C@@H]1C[C@@H]1C
C/[NH+]=C(/NC[C@@H](c1ccccc1)N1CCOCC1)N[C@@H]1C[C@@H]1C c1ccc(cc1)[*:1] C/[NH+]=C(/NC[C@@H](N1CCOCC1)[*:1])N[C@@H]1C[C@@H]1C
CN1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H]1[*:1]
CN1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 N#Cc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)C(=O)N[*:1])[C@@H]1c1ccc(Cl)cc1
Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCn1nc(C(F)(F)F)cc1C FC(F)[*:1] Cc1nn(c(C)c1S(=O)(=O)NCCn1nc(cc1C)C(F)(F)F)[*:1]
Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCn1nc(C(F)(F)F)cc1C FC(F)(F)[*:1] Cc1nn(c(C)c1S(=O)(=O)NCCn1nc(cc1C)[*:1])C(F)F
CC[C@H](C)[C@H](C[NH2+]C(C)C)C(C)C CC[C@H](C)[*:1] CC(C)[NH2+]C[C@H](C(C)C)[*:1]
CC[C@H](C)[C@H](C[NH2+]C(C)C)C(C)C CC(C)[*:1] CC[C@H](C)[C@H](C[NH2+][*:1])C(C)C
CC[C@H](C)[C@H](C[NH2+]C(C)C)C(C)C CC(C)[*:1] CC[C@H](C)[C@H](C[NH2+]C(C)C)[*:1]
C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C(N)=O c1cnn(c1)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])C(N)=O
C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C(N)=O NC(=O)[*:1] C[C@H]([NH2+]Cc1ccc(cc1)-n1cccn1)[*:1]
C[NH+]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] C[NH+]1CCCN(CC1)c1ccc(C#N)c(c1)[*:1]
Cc1nn(C)c(N(C)C2CC2)c1C[NH2+]C(C)C C1CC1[*:1] Cc1nn(C)c(c1C[NH2+]C(C)C)N(C)[*:1]
Cc1nn(C)c(N(C)C2CC2)c1C[NH2+]C(C)C CC(C)[*:1] Cc1nn(C)c(c1C[NH2+][*:1])N(C)C1CC1
Cc1nn(C)c(N(C)C2CC2)c1C[NH2+]C(C)C CN(C1CC1)[*:1] Cc1nn(C)c(c1C[NH2+]C(C)C)[*:1]
CN1CCO[C@H]([C@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)C1 CC(C)(C)[*:1] CN1CCO[C@@H](C1)[C@H]([NH3+])Cc1ccc(cc1)[*:1]
COc1cccc(S(=O)(=O)Nc2ccc(-n3nnn(C)c3=O)cc2)c1 Cn1nnn(c1=O)[*:1] COc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
COc1cccc(S(=O)(=O)Nc2ccc(-n3nnn(C)c3=O)cc2)c1 COc1cccc(c1)[*:1] Cn1nnn(-c2ccc(cc2)NS(=O)(=O)[*:1])c1=O
CC[C@H](COC)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] CC[C@H](COC)NC(=O)N[C@H](C)c1cccc(c1)[*:1]
CC[C@H](COC)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 COC[*:1] CC[C@H](NC(=O)N[C@H](C)c1cccc(c1)-n1cccn1)[*:1]
CC[C@H](COC)NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 CC[C@H](COC)[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(c1)-n1cccn1
CC(C)[C@H](CCN1C(=O)CCC1=O)c1ccco1 CC(C)[*:1] O=C1CCC(=O)N1CC[C@H](c1ccco1)[*:1]
CC(C)[C@H](CCN1C(=O)CCC1=O)c1ccco1 c1coc(c1)[*:1] CC(C)[C@H](CCN1C(=O)CCC1=O)[*:1]
C=CCNc1oc(-c2ccccc2OC)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 C=CC[*:1] COc1ccccc1-c1nc(c(N[*:1])o1)S(=O)(=O)c1ccc2OCCOc2c1
C=CCNc1oc(-c2ccccc2OC)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 C=CCN[*:1] COc1ccccc1-c1nc(c(o1)[*:1])S(=O)(=O)c1ccc2OCCOc2c1
C=CCNc1oc(-c2ccccc2OC)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 COc1ccccc1[*:1] C=CCNc1oc(nc1S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
C=CCNc1oc(-c2ccccc2OC)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C=CCNc1oc(nc1S(=O)(=O)[*:1])-c1ccccc1OC
CCSc1nnc(NC(=O)Cc2csc(NC(=O)C3CCCC3)n2)s1 CCSc1nnc(s1)[*:1] O=C(Cc1csc(n1)NC(=O)C1CCCC1)N[*:1]
CCSc1nnc(NC(=O)Cc2csc(NC(=O)C3CCCC3)n2)s1 O=C(N[*:1])C1CCCC1 CCSc1nnc(NC(=O)Cc2csc(n2)[*:1])s1
CCSc1nnc(NC(=O)Cc2csc(NC(=O)C3CCCC3)n2)s1 C1CCC(C1)[*:1] CCSc1nnc(NC(=O)Cc2csc(n2)NC(=O)[*:1])s1
CCSc1nnc(NC(=O)Cc2csc(NC(=O)C3CCCC3)n2)s1 CCS[*:1] O=C(Cc1csc(n1)NC(=O)C1CCCC1)Nc1nnc(s1)[*:1]
CC(C)c1nc([C@H](C)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cs1 CC(C)[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1csc(n1)[*:1]
CC(C)c1nc([C@H](C)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cs1 CC(C)c1nc(cs1)[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[*:1]
CCOc1cccc(CNC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 CCO[*:1] O=C(NCc1cccc(c1)[*:1])c1cc([nH]n1)-c1cccc2ccccc12
CCOc1cccc(CNC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 CCOc1cccc(c1)[*:1] O=C(NC[*:1])c1cc([nH]n1)-c1cccc2ccccc12
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCSCC4)[C@H]3C[C@@H]12 C1CN(CCS1)[*:1] C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[*:1])[C@H]3C[C@@H]12
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCSCC4)[C@H]3C[C@@H]12 C1CN(CCS1)C[*:1] C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H]([C@H]3C[C@@H]12)[*:1]
O=C1CSc2cc(C(=O)NCCc3ccc(OCc4ccccc4)cc3)ccc2N1 c1ccc(cc1)[*:1] O=C1CSc2cc(ccc2N1)C(=O)NCCc1ccc(cc1)OC[*:1]
O=C1CSc2cc(C(=O)NCCc3ccc(OCc4ccccc4)cc3)ccc2N1 c1ccc(cc1)CO[*:1] O=C1CSc2cc(ccc2N1)C(=O)NCCc1ccc(cc1)[*:1]
O=C1CSc2cc(C(=O)NCCc3ccc(OCc4ccccc4)cc3)ccc2N1 c1ccc(cc1)C[*:1] O=C1CSc2cc(ccc2N1)C(=O)NCCc1ccc(cc1)O[*:1]
C[C@H](NC(=O)CN1CCc2ccccc21)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)CN1CCc2ccccc21)[*:1]
CC(C)Sc1ncccc1C(=O)N[C@@H](C)Cc1ccco1 CC(C)[*:1] C[C@@H](Cc1ccco1)NC(=O)c1cccnc1S[*:1]
CC(C)Sc1ncccc1C(=O)N[C@@H](C)Cc1ccco1 c1coc(c1)[*:1] CC(C)Sc1ncccc1C(=O)N[C@@H](C)C[*:1]
CC(C)Sc1ncccc1C(=O)N[C@@H](C)Cc1ccco1 c1coc(c1)C[*:1] CC(C)Sc1ncccc1C(=O)N[C@@H](C)[*:1]
CC(C)Sc1ncccc1C(=O)N[C@@H](C)Cc1ccco1 CC(C)S[*:1] C[C@@H](Cc1ccco1)NC(=O)c1cccnc1[*:1]
O=C(Nc1cccc(-c2nnco2)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 c1nnc(o1)[*:1] O=C(Nc1cccc(c1)[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1F
O=C(Nc1cccc(-c2nnco2)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] O=C(Nc1cccc(c1)-c1nnco1)C1CCN(CC1)C(=O)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccs1)N1CCOCC1 c1csc(c1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])NC[C@H](N1CCOCC1)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccs1)N1CCOCC1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])NC[C@H](c1cccs1)N1CCOCC1
O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccs1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])NC[C@H](c1cccs1)[*:1]
CCc1ccc(C(=O)NNC(=O)Cc2ccccc2F)cc1 Fc1ccccc1[*:1] CCc1ccc(cc1)C(=O)NNC(=O)C[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)Nc1cccc(c1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 CCOC(=O)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])N1CCC[C@H](C1)[*:1]
COC[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc(F)c(F)c1 C1CCC(C1)[*:1] COC[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)[C@H]1CC(=O)N(C1)C1CCCC1)[*:1]
COC[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)[*:1])[C@H]1CC(=O)N(C1)C1CCCC1
COC(=O)[C@](C)(O)C(OC)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@](C)(O)C(OC)(c1ccccc1)[*:1]
COC(=O)[C@](C)(O)C(OC)(c1ccccc1)c1ccccc1 COC(=O)[*:1] COC(c1ccccc1)(c1ccccc1)[C@](C)(O)[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)C1(c2cccc(Cl)c2)CCOCC1 FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])C1(CCOCC1)c1cccc(Cl)c1
O=C(Nc1nnc(C(F)(F)F)s1)C1(c2cccc(Cl)c2)CCOCC1 Clc1cccc(c1)[*:1] O=C(Nc1nnc(s1)C(F)(F)F)C1(CCOCC1)[*:1]
CCCCC(=O)C(C)(C)[NH+]1CCCCCC1 CCCC[*:1] CC(C)(C(=O)[*:1])[NH+]1CCCCCC1
CCCCC(=O)C(C)(C)[NH+]1CCCCCC1 CCC[*:1] CC(C)(C(=O)C[*:1])[NH+]1CCCCCC1
C[C@@H](C(=O)Nc1cccc(NC(=O)c2cn(C)nc2C(C)(C)C)c1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)Nc1cccc(c1)NC(=O)c1cn(C)nc1C(C)(C)C)[*:1]
C[C@@H](C(=O)Nc1cccc(NC(=O)c2cn(C)nc2C(C)(C)C)c1)n1cccn1 CC(C)(C)[*:1] C[C@@H](C(=O)Nc1cccc(c1)NC(=O)c1cn(C)nc1[*:1])n1cccn1
COC(=O)C[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 COC(=O)C[*:1] COc1ccc(cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
COC(=O)C[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 COC(=O)[*:1] COc1ccc(cc1)C(=O)N[C@H](C[*:1])c1ccc(Cl)cc1
COC(=O)C[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)C[C@@H](NC(=O)c1ccc(cc1)OC)[*:1]
COC(=O)C[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 COc1ccc(cc1)[*:1] COC(=O)C[C@@H](NC(=O)[*:1])c1ccc(Cl)cc1
C[C@H](c1ccc2ccccc2c1)N(C(=O)c1cn2cccnc2n1)C1CC1 C1CC1[*:1] C[C@H](c1ccc2ccccc2c1)N(C(=O)c1cn2cccnc2n1)[*:1]
C[C@H](c1ccc2ccccc2c1)N(C(=O)c1cn2cccnc2n1)C1CC1 c1cnc2nc(cn2c1)[*:1] C[C@H](c1ccc2ccccc2c1)N(C(=O)[*:1])C1CC1
Cc1nn(CN2CCN(C(=O)C(=O)NC(C)C)CC2)c(C)c1Br CC(C)[*:1] Cc1nn(CN2CCN(CC2)C(=O)C(=O)N[*:1])c(C)c1Br
CC(C)CC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CCO2 CC(C)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccc2OCCc2c1)C[*:1]
CC(C)CC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CCO2 CC(C)C[*:1] CC(C)(CNC(=O)C(=O)Nc1ccc2OCCc2c1)[*:1]
CC(C)CC(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CCO2 CC(C)CC(C)(C)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2OCCc2c1
CCOC(=O)CCNC(=O)[C@@H]1C=C[C@H]([NH3+])C1 CCOC(=O)[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)NCC[*:1]
COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)cc1OC COc1ccc(cc1OC)[*:1] O=C(N[*:1])[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21
COC(=O)c1ccc(NC(=S)NCc2cccnc2)cc1 COC(=O)[*:1] S=C(NCc1cccnc1)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=S)NCc2cccnc2)cc1 c1cncc(c1)[*:1] COC(=O)c1ccc(cc1)NC(=S)NC[*:1]
COC(=O)c1ccc(NC(=S)NCc2cccnc2)cc1 c1cncc(c1)C[*:1] COC(=O)c1ccc(cc1)NC(=S)N[*:1]
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F C[C@@H]1C[C@@H]1C(=O)N[*:1] C[C@](NC(=O)CC[*:1])(C(=O)[O-])C(F)(F)F
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F C[C@@H]1C[C@H]1[*:1] C[C@](NC(=O)CCNC(=O)[*:1])(C(=O)[O-])C(F)(F)F
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@@](C)(C(=O)[O-])[*:1]
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@@](C)(C(F)(F)F)[*:1]
CNC(=O)c1cccc(NCC2(c3ccccc3F)CC2)n1 Fc1ccccc1[*:1] CNC(=O)c1cccc(n1)NCC1(CC1)[*:1]
CNC(=O)c1cccc(NCC2(c3ccccc3F)CC2)n1 CNC(=O)[*:1] Fc1ccccc1C1(CC1)CNc1cccc(n1)[*:1]
COc1ccc(-n2ccnc2-c2cnc(C3CCCCC3)nc2)cn1 COc1ccc(cn1)[*:1] c1cn(c(n1)-c1cnc(nc1)C1CCCCC1)[*:1]
COc1ccc(-n2ccnc2-c2cnc(C3CCCCC3)nc2)cn1 C1CCC(CC1)[*:1] COc1ccc(cn1)-n1ccnc1-c1cnc(nc1)[*:1]
Cc1cccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC2=O)n1 O=C1CCC[C@@H]1[*:1] Cc1cccc(n1)C(=O)N1CCCC[C@H]1[*:1]
Cc1cccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC2=O)n1 Cc1cccc(n1)[*:1] O=C1CCC[C@@H]1[C@H]1CCCCN1C(=O)[*:1]
O=C(NCc1cccc(COCc2ccco2)c1)c1cccc(Cl)c1Cl c1coc(c1)[*:1] O=C(NCc1cccc(c1)COC[*:1])c1cccc(Cl)c1Cl
O=C(NCc1cccc(COCc2ccco2)c1)c1cccc(Cl)c1Cl c1coc(c1)COC[*:1] O=C(NCc1cccc(c1)[*:1])c1cccc(Cl)c1Cl
O=C(NCc1cccc(COCc2ccco2)c1)c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(NCc1cccc(c1)COCc1ccco1)[*:1]
O=C(NCc1cccc(COCc2ccco2)c1)c1cccc(Cl)c1Cl c1coc(c1)C[*:1] O=C(NCc1cccc(c1)CO[*:1])c1cccc(Cl)c1Cl
O=C(NCc1cccc(COCc2ccco2)c1)c1cccc(Cl)c1Cl c1coc(c1)CO[*:1] O=C(NCc1cccc(c1)C[*:1])c1cccc(Cl)c1Cl
Cc1noc2ncnc(N3CC[C@@H](NC(=O)c4ccccn4)[C@H](O)C3)c12 c1ccc(nc1)[*:1] Cc1noc2ncnc(c12)N1CC[C@@H](NC(=O)[*:1])[C@H](O)C1
CC(C)CN(C1CCCC1)S(=O)(=O)N1CC[NH2+]CC1 CC(C)[*:1] O=S(=O)(N1CC[NH2+]CC1)N(C[*:1])C1CCCC1
CC(C)CN(C1CCCC1)S(=O)(=O)N1CC[NH2+]CC1 CC(C)C[*:1] O=S(=O)(N1CC[NH2+]CC1)N(C1CCCC1)[*:1]
CC(C)CN(C1CCCC1)S(=O)(=O)N1CC[NH2+]CC1 C1CCC(C1)[*:1] CC(C)CN(S(=O)(=O)N1CC[NH2+]CC1)[*:1]
C[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(C#N)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C1(CC1)[*:1])c1ccc(C#N)cc1
Cc1nn(-c2ccccc2)c(C)c1COC(=O)[C@@H](C)NC(=O)C(C)(C)C CC(C)(C)C(=O)N[*:1] Cc1nn(-c2ccccc2)c(C)c1COC(=O)[C@@H](C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1COC(=O)[C@@H](C)NC(=O)C(C)(C)C CC(C)(C)[*:1] Cc1nn(-c2ccccc2)c(C)c1COC(=O)[C@@H](C)NC(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1COC(=O)[C@@H](C)NC(=O)C(C)(C)C c1ccc(cc1)[*:1] Cc1nn(c(C)c1COC(=O)[C@@H](C)NC(=O)C(C)(C)C)[*:1]
CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 Cc1ccc(cc1C)[*:1] CCN1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(CCc1cccs1)NCCc1ccc2c(c1)OCCO2 c1csc(c1)C[*:1] O=C(C[*:1])NCCc1ccc2OCCOc2c1
O=C(CCc1cccs1)NCCc1ccc2c(c1)OCCO2 c1csc(c1)[*:1] O=C(CC[*:1])NCCc1ccc2OCCOc2c1
O=C(CCc1cccs1)NCCc1ccc2c(c1)OCCO2 c1csc(c1)CC[*:1] O=C(NCCc1ccc2OCCOc2c1)[*:1]
COc1ccc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1OC COc1ccc(cc1OC)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])c1c[nH]c2ccccc12
COc1ccc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1OC O=C(c1c[nH]c2ccccc12)[*:1] COc1ccc(cc1OC)-n1c(nc2ccccc2c1=O)SC[*:1]
COc1ccc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1OC c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1OC)-n1c(nc2ccccc2c1=O)SCC(=O)[*:1]
COc1ccc([C@H](C)NC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)cc1OC Cc1noc(n1)[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)c1cn(cn1)-c1cc(ccn1)[*:1]
COc1ccc([C@H](C)NC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)cc1OC COc1ccc(cc1OC)[*:1] Cc1noc(n1)-c1ccnc(c1)-n1cnc(c1)C(=O)N[C@@H](C)[*:1]
CSc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3cccc(C)c3)n2C)c1 CSc1cccc(c1)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)c1nnc(SCC(=O)N[*:1])n1C
CSc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3cccc(C)c3)n2C)c1 Cc1cccc(c1)C(=O)N[*:1] CSc1cccc(c1)NC(=O)CSc1nnc([C@H](C)[*:1])n1C
CSc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3cccc(C)c3)n2C)c1 Cc1cccc(c1)[*:1] CSc1cccc(c1)NC(=O)CSc1nnc([C@H](C)NC(=O)[*:1])n1C
CCCn1/c(=N/C(=O)c2ccnc(C(=O)OC)c2)[nH]c2ccccc21 COC(=O)[*:1] CCCn1/c(=N/C(=O)c2ccnc(c2)[*:1])[nH]c2ccccc21
CCCn1/c(=N/C(=O)c2ccnc(C(=O)OC)c2)[nH]c2ccccc21 CCC[*:1] COC(=O)c1cc(ccn1)C(=O)/N=c1\[nH]c2ccccc2n1[*:1]
C[C@@H]([NH3+])[C@H]1CCCCN1c1cc(Cl)c(Cl)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]([NH3+])[C@H]1CCCCN1c1cc(Cl)c(Cl)cc1[*:1]
CCO[C@H]1CCCN(C(=O)NCc2ccnc(OCc3ccccc3)c2)C1 c1ccc(cc1)[*:1] CCO[C@H]1CCCN(C1)C(=O)NCc1ccnc(c1)OC[*:1]
CCO[C@H]1CCCN(C(=O)NCc2ccnc(OCc3ccccc3)c2)C1 c1ccc(cc1)C[*:1] CCO[C@H]1CCCN(C1)C(=O)NCc1ccnc(c1)O[*:1]
CCO[C@H]1CCCN(C(=O)NCc2ccnc(OCc3ccccc3)c2)C1 c1ccc(cc1)CO[*:1] CCO[C@H]1CCCN(C1)C(=O)NCc1ccnc(c1)[*:1]
CCO[C@H]1CCCN(C(=O)NCc2ccnc(OCc3ccccc3)c2)C1 CCO[*:1] O=C(NCc1ccnc(c1)OCc1ccccc1)N1CCC[C@@H](C1)[*:1]
COc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)C2CC2)n1 COc1cccc(n1)[*:1] O=C(NC[*:1])N[C@@H](Cc1ccccc1)C1CC1
COc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)C2CC2)n1 C1CC1[*:1] COc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)[*:1])n1
COc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)C2CC2)n1 c1ccc(cc1)C[*:1] COc1cccc(CNC(=O)N[C@@H](C2CC2)[*:1])n1
COc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)C2CC2)n1 c1ccc(cc1)[*:1] COc1cccc(CNC(=O)N[C@@H](C[*:1])C2CC2)n1
COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1S(=O)(=O)NC(C)C c1ccc2[nH]c(nc2c1)[*:1] COc1ccc(cc1S(=O)(=O)NC(C)C)C(=O)N1CCC[C@H](C1)[*:1]
COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1S(=O)(=O)NC(C)C CC(C)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)N1CCC[C@@H](C1)c1nc2ccccc2[nH]1
COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1S(=O)(=O)NC(C)C CC(C)NS(=O)(=O)[*:1] COc1ccc(cc1[*:1])C(=O)N1CCC[C@@H](C1)c1nc2ccccc2[nH]1
O=C(NCCc1cccc(O)c1)N[C@@H]1CCN(c2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] O=C(NCCc1cccc(O)c1)N[C@@H]1CCN(C1)[*:1]
O=C(NCCc1cccc(O)c1)N[C@@H]1CCN(c2c(F)cccc2F)C1 Oc1cccc(c1)[*:1] O=C(NCC[*:1])N[C@@H]1CCN(C1)c1c(F)cccc1F
O=C(NCCc1cccc(O)c1)N[C@@H]1CCN(c2c(F)cccc2F)C1 Oc1cccc(c1)C[*:1] O=C(NC[*:1])N[C@@H]1CCN(C1)c1c(F)cccc1F
O=S(=O)(CCCCl)N1CCOCC1 ClCC[*:1] O=S(=O)(C[*:1])N1CCOCC1
O=S(=O)(CCCCl)N1CCOCC1 ClCCC[*:1] O=S(=O)(N1CCOCC1)[*:1]
COC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 COC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(Br)o1
COC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 Brc1ccc(o1)[*:1] COC(=O)c1ccc(cc1)NC(=O)[*:1]
CNC(=O)c1cc(Cl)ccc1NCc1ccc(F)cc1F CNC(=O)[*:1] Fc1ccc(CNc2ccc(Cl)cc2[*:1])c(F)c1
CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(cc1)[*:1]
CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCCC1)[C@H]1CCCCN1C(=O)[*:1]
Cc1ccc2c(c1)cc(C(=O)N1CCC[C@@H]1c1ccc(C(=O)N3CCN(C)CC3)cn1)n2C CN1CCN(CC1)C(=O)[*:1] Cc1ccc2c(c1)cc(C(=O)N1CCC[C@@H]1c1ccc(cn1)[*:1])n2C
Cc1ccc2c(c1)cc(C(=O)N1CCC[C@@H]1c1ccc(C(=O)N3CCN(C)CC3)cn1)n2C Cc1ccc2c(c1)cc(n2C)[*:1] CN1CCN(CC1)C(=O)c1ccc(nc1)[C@H]1CCCN1C(=O)[*:1]
Cn1cc(C[C@H]2CCN(c3nc4ccccn4c3[N+](=O)[O-])C2)cn1 Cn1cc(cn1)[*:1] O=[N+]([O-])c1c(nc2ccccn12)N1CC[C@@H](C1)C[*:1]
Cn1cc(C[C@H]2CCN(c3nc4ccccn4c3[N+](=O)[O-])C2)cn1 Cn1cc(cn1)C[*:1] O=[N+]([O-])c1c(nc2ccccn12)N1CC[C@@H](C1)[*:1]
Cn1cc(C[C@H]2CCN(c3nc4ccccn4c3[N+](=O)[O-])C2)cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)C[C@H]1CCN(C1)c1nc2ccccn2c1[*:1]
COc1cc(Cl)ccc1C(=O)OC[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] COc1cc(Cl)ccc1C(=O)OC[*:1]
CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1SCC CCS[*:1] CC[NH2+][C@H]1c2cc(ccc2CC[C@@H]1[*:1])OC
CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2nc(C)cc2C)cn1 Cc1cc(C)n(C[*:1])n1 CCOc1ccc(cn1)C(=O)N1CCC[C@H]1[*:1]
CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2nc(C)cc2C)cn1 Cc1cc(C)n(n1)[*:1] CCOc1ccc(cn1)C(=O)N1CCC[C@@H]1C[*:1]
CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2nc(C)cc2C)cn1 CCO[*:1] Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2ccc(nc2)[*:1])n1
CC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 CC(=O)NC[*:1] Fc1ccc(cc1F)Oc1ncccc1[*:1]
CC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 CC(=O)N[*:1] Fc1ccc(cc1F)Oc1ncccc1C[*:1]
CC/[NH+]=C(/NC[C@@H]1CC=CCC1)N1CCC(OCC)CC1 CCO[*:1] CC/[NH+]=C(/NC[C@@H]1CC=CCC1)N1CCC(CC1)[*:1]
Cc1csc([C@H](C)NC(=O)N(C)CCc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)N(C)CC[*:1]
Cc1csc([C@H](C)NC(=O)N(C)CCc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1csc(n1)[C@H](C)NC(=O)N(C)C[*:1]
Cc1csc([C@H](C)NC(=O)N(C)CCc2ccccn2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)N(C)CCc1ccccn1)[*:1]
COC(C)(C)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] COC(C)(C)C[*:1] C[C@H](Nc1ccc(cc1[N+](=O)[O-])S(C)(=O)=O)[*:1]
COC(C)(C)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] CS(=O)(=O)[*:1] COC(C)(C)C[C@H](C)Nc1ccc(cc1[N+](=O)[O-])[*:1]
COC(C)(C)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(C)(C)C[C@H](C)Nc1ccc(cc1[*:1])S(C)(=O)=O
COC(C)(C)C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] COC(C)(C)[*:1] C[C@@H](C[*:1])Nc1ccc(cc1[N+](=O)[O-])S(C)(=O)=O
CC(=O)N1CCc2cc(C(=O)OC[C@@H](C#N)Cc3ccccc3)ccc21 c1ccc(cc1)[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)OC[C@@H](C#N)C[*:1]
CC(=O)N1CCc2cc(C(=O)OC[C@@H](C#N)Cc3ccccc3)ccc21 c1ccc(cc1)C[*:1] CC(=O)N1CCc2cc(ccc21)C(=O)OC[C@@H](C#N)[*:1]
CCn1c(=O)n(CC(=O)NNC(=O)c2cccn2C)c2ccccc21 Cn1cccc1[*:1] CCn1c(=O)n(CC(=O)NNC(=O)[*:1])c2ccccc21
COc1ccc(C(=O)NNC(=O)Cc2coc3cc(OC)ccc23)cc1 COc1ccc(cc1)[*:1] COc1ccc2c(coc2c1)CC(=O)NNC(=O)[*:1]
COc1ccccc1-n1c(SC[C@@H](C#N)CCC#N)nc2ccccc2c1=O N#CCC[*:1] COc1ccccc1-n1c(nc2ccccc2c1=O)SC[C@@H](C#N)[*:1]
COc1ccccc1-n1c(SC[C@@H](C#N)CCC#N)nc2ccccc2c1=O COc1ccccc1[*:1] N#CCC[C@H](C#N)CSc1nc2ccccc2c(=O)n1[*:1]
COc1ccccc1-n1c(SC[C@@H](C#N)CCC#N)nc2ccccc2c1=O N#CC[*:1] COc1ccccc1-n1c(nc2ccccc2c1=O)SC[C@@H](C#N)C[*:1]
O=C(c1ccccc1F)N1CCN(C[C@H](O)c2c(F)cccc2F)CC1 Fc1ccccc1[*:1] O=C(N1CCN(CC1)C[C@H](O)c1c(F)cccc1F)[*:1]
O=C(c1ccccc1F)N1CCN(C[C@H](O)c2c(F)cccc2F)CC1 Fc1cccc(F)c1[*:1] O=C(c1ccccc1F)N1CCN(CC1)C[C@H](O)[*:1]
CC(=O)c1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2c(c1)NC(=O)[C@H]1CCCN21
Cc1cc(C)cc(C(=O)NCCCCC(N)=O)c1 NC(=O)CC[*:1] Cc1cc(C)cc(c1)C(=O)NCC[*:1]
Cc1cc(C)cc(C(=O)NCCCCC(N)=O)c1 NC(=O)C[*:1] Cc1cc(C)cc(c1)C(=O)NCCC[*:1]
Cc1cc(C)cc(C(=O)NCCCCC(N)=O)c1 NC(=O)CCC[*:1] Cc1cc(C)cc(c1)C(=O)NC[*:1]
Cc1cc(C)cc(C(=O)NCCCCC(N)=O)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)C(=O)NCCCC[*:1]
Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCCC2)O3)c1 O=C(N1CCCCC1)[*:1] Cc1cccc(c1)N(C)S(=O)(=O)c1ccc2O[C@H](COc2c1)[*:1]
Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCCC2)O3)c1 Cc1cccc(c1)[*:1] CN(S(=O)(=O)c1ccc2O[C@@H](COc2c1)C(=O)N1CCCCC1)[*:1]
Cc1noc(-c2cc[nH+]c(N3CCO[C@H](c4ccccc4Cl)C3)c2)n1 Clc1ccccc1[*:1] Cc1noc(n1)-c1cc[nH+]c(c1)N1CCO[C@H](C1)[*:1]
Cc1noc(-c2cc[nH+]c(N3CCO[C@H](c4ccccc4Cl)C3)c2)n1 Cc1noc(n1)[*:1] Clc1ccccc1[C@@H]1CN(CCO1)c1cc(cc[nH+]1)[*:1]
C[C@@H]([C@@H](C)N(C)C(=O)c1cc(Cl)c2ccccc2c1O)S(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)c1cc(Cl)c2ccccc2c1O)[*:1]
CC(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(N)=O)c(F)c1 NC(=O)[*:1] CC(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(N)=O)c(F)c1 CC(C)[*:1] NC(=O)c1ccc(cc1F)NC(=O)NC[C@@H]1CCO[C@H]1[*:1]
O=c1ccc2ccc(OCc3noc(-c4ccc(F)cc4)n3)cc2o1 Fc1ccc(cc1)[*:1] O=c1ccc2ccc(cc2o1)OCc1noc(n1)[*:1]
Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3I)n2N)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1ccccc1I
Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3I)n2N)cc1 Ic1ccccc1[*:1] Cc1ccc(cc1)-c1nnc(SCC(=O)N[*:1])n1N
Cc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)c1cccc(c1)NC(=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 Cc1ccc(Cl)cc1[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])c1ccccc1
[NH3+]CCc1ccc(CNC(=O)c2n[nH]c(C3CC3)n2)cc1 C1CC1[*:1] [NH3+]CCc1ccc(cc1)CNC(=O)c1n[nH]c(n1)[*:1]
[NH3+]CCc1ccc(CNC(=O)c2n[nH]c(C3CC3)n2)cc1 [NH3+]CC[*:1] O=C(NCc1ccc(cc1)[*:1])c1n[nH]c(n1)C1CC1
CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc21 Clc1ccc(cc1)[*:1] CC(=O)N1CCOc2ccc(cc21)S(=O)(=O)N1CCN(CC1)[*:1]
C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C=CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1[*:1]
C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Br)cc1 C=CC[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)O[*:1])c1ccc(Br)cc1
C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Br)cc1 C=CCOC(=O)[*:1] CC1Nc2nnnn2[C@@H](C=1[*:1])c1ccc(Br)cc1
COCc1cc([C@@H](C)N[C@@H](C)C(=O)N2CCc3ccccc32)ccc1OC COC[*:1] COc1ccc(cc1[*:1])[C@@H](C)N[C@@H](C)C(=O)N1CCc2ccccc21
O=C(NCc1ccc(CN2CCOCC2)cc1)N1CCc2cc(F)ccc2C1 C1CN(CCO1)[*:1] O=C(NCc1ccc(cc1)C[*:1])N1CCc2cc(F)ccc2C1
O=C(NCc1ccc(CN2CCOCC2)cc1)N1CCc2cc(F)ccc2C1 C1CN(CCO1)C[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCc2cc(F)ccc2C1
O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)Nc1ccc2c(c1)OCO2 C1CC1[*:1] O=C(Nc1ccc2c(c1)CCCN2C(=O)[*:1])Nc1ccc2OCOc2c1
O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)N[*:1]
COc1ccccc1-c1n[nH]c(NC(=O)c2cc(Cl)c3c(c2)OCO3)n1 COc1ccccc1[*:1] O=C(Nc1nc(n[nH]1)[*:1])c1cc(Cl)c2OCOc2c1
COc1ccc(Nc2oc(-c3ccccc3OC)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 COc1ccccc1[*:1] COc1ccc(cc1)Nc1oc(nc1S(=O)(=O)c1ccc2OCCOc2c1)[*:1]
COc1ccc(Nc2oc(-c3ccccc3OC)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)[*:1] COc1ccccc1-c1nc(c(N[*:1])o1)S(=O)(=O)c1ccc2OCCOc2c1
COc1ccc(Nc2oc(-c3ccccc3OC)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 c1cc2OCCOc2cc1[*:1] COc1ccc(cc1)Nc1oc(nc1S(=O)(=O)[*:1])-c1ccccc1OC
COc1ccc(Nc2oc(-c3ccccc3OC)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 COc1ccc(cc1)N[*:1] COc1ccccc1-c1nc(c(o1)[*:1])S(=O)(=O)c1ccc2OCCOc2c1
Cc1cc2occ(CC(=O)NCCC(=O)[O-])c2cc1C O=C([O-])CC[*:1] Cc1cc2occ(CC(=O)N[*:1])c2cc1C
Cc1cc2occ(CC(=O)NCCC(=O)[O-])c2cc1C O=C([O-])C[*:1] Cc1cc2occ(CC(=O)NC[*:1])c2cc1C
Cc1cc2occ(CC(=O)NCCC(=O)[O-])c2cc1C O=C([O-])[*:1] Cc1cc2occ(CC(=O)NCC[*:1])c2cc1C
COc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)NNC(=O)[*:1]
O=S(=O)(Cc1ccon1)c1nccn1-c1cccc(F)c1 c1cc(no1)[*:1] O=S(=O)(C[*:1])c1nccn1-c1cccc(F)c1
O=S(=O)(Cc1ccon1)c1nccn1-c1cccc(F)c1 Fc1cccc(c1)[*:1] O=S(=O)(Cc1ccon1)c1nccn1[*:1]
O=S(=O)(Cc1ccon1)c1nccn1-c1cccc(F)c1 c1cc(C[*:1])no1 O=S(=O)(c1nccn1-c1cccc(F)c1)[*:1]
CC(C)(C)Oc1cc(C(=O)NCCNC(=O)C(C)(C)C)ccn1 CC(C)(C)C(=O)N[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NCC[*:1]
CC(C)(C)Oc1cc(C(=O)NCCNC(=O)C(C)(C)C)ccn1 CC(C)(C)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)NCCNC(=O)[*:1]
CC(C)(C)Oc1cc(C(=O)NCCNC(=O)C(C)(C)C)ccn1 CC(C)(C)[*:1] CC(C)(C)C(=O)NCCNC(=O)c1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(C(=O)NCCNC(=O)C(C)(C)C)ccn1 CC(C)(C)O[*:1] CC(C)(C)C(=O)NCCNC(=O)c1ccnc(c1)[*:1]
CCOC(=O)c1cn(CC)c2cc([O-])c(F)cc2c1=O CCOC(=O)[*:1] CCn1cc(c(=O)c2cc(F)c([O-])cc21)[*:1]
O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cn3cccnc3n2)CC1 FC(F)(F)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN(CC1)Cc1cn2cccnc2n1
O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cn3cccnc3n2)CC1 c1cnc2nc(cn2c1)[*:1] O=S(=O)(c1ccc(cc1)C(F)(F)F)N1CCN(CC1)C[*:1]
Cc1ccccc1C(=O)O/N=C(/N)c1ccncc1 c1cc(ccn1)[*:1] Cc1ccccc1C(=O)O/N=C(/N)[*:1]
O=C([O-])c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 FC(F)(F)[*:1] O=C([O-])c1cc2N[C@H](C[C@H](n2n1)[*:1])c1ccc2OCOc2c1
O=C([O-])c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 O=C([O-])[*:1] FC(F)(F)[C@H]1C[C@@H](Nc2cc(nn21)[*:1])c1ccc2OCOc2c1
CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N[*:1]
CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NC[*:1]
CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1ccccc1 CC(C)[*:1] O=C(C[C@@H]1CSc2nc(cc(=O)n21)[*:1])NCc1ccccc1
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C CC[C@@H](C)NC(=O)[*:1] CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)[*:1]
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C CC(C)[*:1] CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)[*:1]
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C Clc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)[C@H](NC(=O)[*:1])C(C)C
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C CC[C@@H](C)[*:1] CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
CSC1(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CCOCC1 CC(C)[*:1] CSC1(CCOCC1)C[NH2+][C@@H](C)c1cnn(c1)[*:1]
Cc1c(Cl)cccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C C1CC1[*:1] Cc1c(Cl)cccc1NC(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
Cc1c(Cl)cccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C CC(C)[*:1] Cc1c(Cl)cccc1NC(=O)c1cc(nc2c1cnn2[*:1])C1CC1
Cc1c(Cl)cccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C Cc1c(Cl)cccc1[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)N[*:1]
C(=C/c1ccccc1)\C[NH2+]Cc1ccon1 c1cc(no1)[*:1] C(=C/c1ccccc1)\C[NH2+]C[*:1]
Cc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1F c1cc(cs1)[*:1] Cc1ccc(cc1F)NC(=O)c1sc(nc1C)[*:1]
FC(F)Oc1ccc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)cc1 c1ccc(cc1)[*:1] FC(F)Oc1ccc(/C=N/Nc2ncnc3c2cnn3[*:1])cc1
FC(F)Oc1ccc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)cc1 FC(F)O[*:1] C(=N/Nc1ncnc2c1cnn2-c1ccccc1)\c1ccc(cc1)[*:1]
FC(F)Oc1ccc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)cc1 FC(F)[*:1] C(=N/Nc1ncnc2c1cnn2-c1ccccc1)\c1ccc(cc1)O[*:1]
Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)OCCCNC(N)=O NC(=O)NC[*:1] Cc1[nH]c(nc1C(=O)OCC[*:1])-c1cccc(Cl)c1
Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)OCCCNC(N)=O NC(=O)NCCC[*:1] Cc1[nH]c(nc1C(=O)O[*:1])-c1cccc(Cl)c1
Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)OCCCNC(N)=O NC(=O)NCC[*:1] Cc1[nH]c(nc1C(=O)OC[*:1])-c1cccc(Cl)c1
Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)OCCCNC(N)=O NC(=O)N[*:1] Cc1[nH]c(nc1C(=O)OCCC[*:1])-c1cccc(Cl)c1
Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)OCCCNC(N)=O Clc1cccc(c1)[*:1] Cc1[nH]c(nc1C(=O)OCCCNC(N)=O)[*:1]
Cc1ccc(NCCNC(=O)C2CC[NH+](C(C)C)CC2)[nH+]n1 Cc1ccc([nH+]n1)[*:1] CC(C)[NH+]1CCC(CC1)C(=O)NCCN[*:1]
Cc1ccc(NCCNC(=O)C2CC[NH+](C(C)C)CC2)[nH+]n1 CC(C)[*:1] Cc1ccc(NCCNC(=O)C2CC[NH+](CC2)[*:1])[nH+]n1
C[NH2+]CCCC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 C[NH2+]CC[*:1] O=C(C[*:1])N[C@H]1C=C[C@H](C1)C(=O)[O-]
C[NH2+]CCCC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 C[NH2+]CCC[*:1] O=C([O-])[C@@H]1C=C[C@@H](C1)NC(=O)[*:1]
C[NH2+]CCCC(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] C[NH2+]CCCC(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CN(CC(=O)NC1CC1)C(=O)CSc1ccccc1F O=C(NC1CC1)[*:1] CN(C[*:1])C(=O)CSc1ccccc1F
CN(CC(=O)NC1CC1)C(=O)CSc1ccccc1F C1CC1[*:1] CN(CC(=O)N[*:1])C(=O)CSc1ccccc1F
CSCCc1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1 CSCC[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccc(cc1)[*:1]
CSCCc1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1 CSC[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1ccc(cc1)C[*:1]
CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 CC(C)NC(=O)[*:1] O=S(=O)(c1ccc(Br)cc1)N1CCC(CC1)[*:1]
CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 CC(C)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1
CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] CC(C)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)[C@@H](NC(=O)Cc1ccc(C)o1)c1ccc(Cl)c(F)c1 Cc1ccc(o1)[*:1] COC(=O)[C@@H](NC(=O)C[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@@H](NC(=O)Cc1ccc(C)o1)c1ccc(Cl)c(F)c1 COC(=O)[*:1] Cc1ccc(CC(=O)N[C@@H](c2ccc(Cl)c(F)c2)[*:1])o1
COC(=O)[C@@H](NC(=O)Cc1ccc(C)o1)c1ccc(Cl)c(F)c1 Cc1ccc(C[*:1])o1 COC(=O)[C@@H](NC(=O)[*:1])c1ccc(Cl)c(F)c1
C=CCN(CC=C)C(=O)NCc1ccc(Cl)nc1 C=CC[*:1] C=CCN(C(=O)NCc1ccc(Cl)nc1)[*:1]
O=C(OCCc1cccnc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 c1cncc(c1)[*:1] O=C(OCC[*:1])c1cccc(c1)NC(=O)[C@@H]1CCCO1
O=C(OCCc1cccnc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 c1cncc(c1)CC[*:1] O=C(O[*:1])c1cccc(c1)NC(=O)[C@@H]1CCCO1
O=C(OCCc1cccnc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 O=C(N[*:1])[C@@H]1CCCO1 O=C(OCCc1cccnc1)c1cccc(c1)[*:1]
O=C(OCCc1cccnc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 c1cncc(c1)C[*:1] O=C(OC[*:1])c1cccc(c1)NC(=O)[C@@H]1CCCO1
O=C([O-])c1cc(-c2cc3ccccc3s2)ccn1 O=C([O-])[*:1] c1ccc2sc(cc2c1)-c1ccnc(c1)[*:1]
Cc1ccccc1Cc1noc(Cn2cc([N+](=O)[O-])cn2)n1 O=[N+]([O-])[*:1] Cc1ccccc1Cc1noc(Cn2cc(cn2)[*:1])n1
Cc1ccccc1Cc1noc(Cn2cc([N+](=O)[O-])cn2)n1 Cc1ccccc1[*:1] O=[N+]([O-])c1cnn(c1)Cc1nc(C[*:1])no1
CCN1CCO[C@@H](CNc2cc(C(F)(F)F)ccc2Cl)C1 FC(F)(F)[*:1] CCN1CCO[C@@H](CNc2cc(ccc2Cl)[*:1])C1
C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O Clc1ccccc1[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O)[*:1]
C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O Fc1ccc(cc1Cl)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1Cl
CCOc1ncnc2sc3c(c12)CCCC3 CCO[*:1] c1nc(c2c3CCCCc3sc2n1)[*:1]
CC(C)[C@@H](CO)NC(=O)N[C@H](Cc1ccccc1)c1ccccc1F c1ccc(cc1)C[*:1] CC(C)[C@@H](CO)NC(=O)N[C@H](c1ccccc1F)[*:1]
CC(C)[C@@H](CO)NC(=O)N[C@H](Cc1ccccc1)c1ccccc1F CC(C)[C@@H](CO)[*:1] O=C(N[C@H](Cc1ccccc1)c1ccccc1F)N[*:1]
CC(C)[C@@H](CO)NC(=O)N[C@H](Cc1ccccc1)c1ccccc1F CC(C)[*:1] O=C(N[C@H](CO)[*:1])N[C@H](Cc1ccccc1)c1ccccc1F
CC(C)[C@@H](CO)NC(=O)N[C@H](Cc1ccccc1)c1ccccc1F Fc1ccccc1[*:1] CC(C)[C@@H](CO)NC(=O)N[C@H](Cc1ccccc1)[*:1]
CC(C)[C@@H](CO)NC(=O)N[C@H](Cc1ccccc1)c1ccccc1F c1ccc(cc1)[*:1] CC(C)[C@@H](CO)NC(=O)N[C@H](C[*:1])c1ccccc1F
Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 CC(C)[*:1] Cc1ccc(cc1)OCC(=O)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 CC(C)C(=O)N[*:1] Cc1ccc(cc1)OCC(=O)NNC(=O)c1ccc(cc1)[*:1]
Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 Cc1ccc(cc1)OC[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)[*:1]
Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 Cc1ccc(cc1)O[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)C[*:1]
Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)CO[*:1]
Cc1sc(NC(=O)CCc2cccs2)nc1-c1ccc(F)cc1 c1csc(c1)[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)CC[*:1]
Cc1sc(NC(=O)CCc2cccs2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)CCc1cccs1
Cc1sc(NC(=O)CCc2cccs2)nc1-c1ccc(F)cc1 c1csc(c1)CC[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)[*:1]
Cc1sc(NC(=O)CCc2cccs2)nc1-c1ccc(F)cc1 c1csc(c1)C[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)C[*:1]
CCCNC(=O)CCCc1nc(-c2cccs2)no1 c1csc(c1)[*:1] CCCNC(=O)CCCc1nc(no1)[*:1]
CCCNC(=O)CCCc1nc(-c2cccs2)no1 CCC[*:1] O=C(CCCc1nc(no1)-c1cccs1)N[*:1]
CCCNC(=O)CCCc1nc(-c2cccs2)no1 CCCNC(=O)[*:1] c1csc(c1)-c1noc(CCC[*:1])n1
N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)oc1N1CCN(c2ccccc2)CC1 O=S(=O)(N1CCCC1)[*:1] N#Cc1nc(oc1N1CCN(CC1)c1ccccc1)-c1ccc(cc1)[*:1]
N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)oc1N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] N#Cc1nc(oc1N1CCN(CC1)[*:1])-c1ccc(cc1)S(=O)(=O)N1CCCC1
C[C@@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1[C@H]1C[C@@H](C(F)F)n2ncc(C#N)c2N1 FC(F)[*:1] COc1ccccc1[C@H]1C[C@@H](n2ncc(C#N)c2N1)[*:1]
C[C@@H]([NH2+]CCC(=O)NC1CC1)c1ccc(S(N)(=O)=O)cc1 C1CC1[*:1] C[C@@H]([NH2+]CCC(=O)N[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H]([NH2+]CCC(=O)NC1CC1)c1ccc(S(N)(=O)=O)cc1 O=C(NC1CC1)[*:1] C[C@@H]([NH2+]CC[*:1])c1ccc(cc1)S(N)(=O)=O
C[C@@H]([NH2+]CCC(=O)NC1CC1)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H]([NH2+]CCC(=O)NC1CC1)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]CCC(=O)NC1CC1)c1ccc(S(N)(=O)=O)cc1 O=C(C[*:1])NC1CC1 C[C@@H]([NH2+]C[*:1])c1ccc(cc1)S(N)(=O)=O
CC[C@@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)Nc1ccc2NC(=O)CCc2c1)[*:1]
C[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)[C@@H]1C[C@H](C(F)F)n2ncnc2N1)[*:1]
C[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1)c1ccccc1 FC(F)[*:1] C[C@H](C(=O)N1CCC[C@@H](C1)[C@@H]1C[C@H](n2ncnc2N1)[*:1])c1ccccc1
C[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N1CCC[C@@H](C1)[C@@H]1C[C@H](C(F)F)n2ncnc2N1)[*:1]
CC(C)c1cc(C(=O)N2c3ccccc3C[C@H]2C)nn1C CC(C)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1cc(n(C)n1)[*:1]
COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1cc(C)sc1C Cc1cc(c(C)s1)[*:1] COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)[*:1]
CCCn1c(S[C@H](C)C#N)n[nH]c1=O CCC[*:1] C[C@H](C#N)Sc1n[nH]c(=O)n1[*:1]
CCCn1c(S[C@H](C)C#N)n[nH]c1=O C[C@H](C#N)[*:1] CCCn1c(n[nH]c1=O)S[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(C(N)=O)cc1 NC(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(cc1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(C(N)=O)cc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)c1ccc(cc1)C(N)=O)[*:1]
C[C@H](NC[C@@](C)(O)c1ccc(F)cc1F)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC[C@@](C)(O)c1ccc(F)cc1F)[*:1]
Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)nc1 Cc1ccc(nc1)[*:1] C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)nc1 Clc1ccc(cc1)[*:1] Cc1ccc(nc1)NC(=O)[C@@H](C)NC(=O)[*:1]
C[C@@H]1CN(S(=O)(=O)CCCF)[C@H](C)CO1 FCC[*:1] C[C@@H]1CN([C@H](C)CO1)S(=O)(=O)C[*:1]
C[C@@H]1CN(S(=O)(=O)CCCF)[C@H](C)CO1 FCCC[*:1] C[C@@H]1CN([C@H](C)CO1)S(=O)(=O)[*:1]
CO[C@H](C)c1cccc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 N#Cc1ccc(cc1)[*:1] CO[C@H](C)c1cccc(c1)N[C@H]1CCN(C1=O)[*:1]
CO[C@H](C)c1cccc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 CO[C@H](C)[*:1] N#Cc1ccc(cc1)N1CC[C@H](Nc2cccc(c2)[*:1])C1=O
c1ccc(Cn2cccn2)c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 c1cnn(c1)C[*:1] c1ccc(c(c1)C[NH2+][C@@H]1CCOC2(CCOCC2)C1)[*:1]
c1ccc(Cn2cccn2)c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 c1cnn(c1)[*:1] c1ccc(C[*:1])c(c1)C[NH2+][C@@H]1CCOC2(CCOCC2)C1
COCCCOC1CN(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)C1 COCC[*:1] CC(C)c1nc2[C@@H](CCCn2n1)NC(=O)N1CC(C1)OC[*:1]
COCCCOC1CN(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)C1 CC(C)[*:1] COCCCOC1CN(C1)C(=O)N[C@@H]1CCCn2nc(nc21)[*:1]
COCCCOC1CN(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)C1 COCCC[*:1] CC(C)c1nc2[C@@H](CCCn2n1)NC(=O)N1CC(C1)O[*:1]
COCCCOC1CN(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)C1 COC[*:1] CC(C)c1nc2[C@@H](CCCn2n1)NC(=O)N1CC(C1)OCC[*:1]
COCCCOC1CN(C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)C1 COCCCO[*:1] CC(C)c1nc2[C@@H](CCCn2n1)NC(=O)N1CC(C1)[*:1]
Cc1sc2ncnc(OCC(=O)NCCc3ccccc3)c2c1C c1ccc(cc1)CC[*:1] Cc1sc2ncnc(OCC(=O)N[*:1])c2c1C
Cc1sc2ncnc(OCC(=O)NCCc3ccccc3)c2c1C c1ccc(cc1)C[*:1] Cc1sc2ncnc(OCC(=O)NC[*:1])c2c1C
Cc1sc2ncnc(OCC(=O)NCCc3ccccc3)c2c1C c1ccc(cc1)[*:1] Cc1sc2ncnc(OCC(=O)NCC[*:1])c2c1C
Cc1cc(C(=O)N2CC(C(=O)Nc3nnc(C)s3)C2)no1 Cc1nnc(s1)[*:1] Cc1cc(no1)C(=O)N1CC(C1)C(=O)N[*:1]
Cc1cc(C(=O)N2CC(C(=O)Nc3nnc(C)s3)C2)no1 Cc1cc(no1)[*:1] Cc1nnc(NC(=O)C2CN(C2)C(=O)[*:1])s1
CC(C)n1c[nH+]cc1[C@H]1CC(=O)N[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)n1c[nH+]cc1[C@H]1CC(=O)N[C@@H]1[*:1]
CC(C)n1c[nH+]cc1[C@H]1CC(=O)N[C@H]1c1ccccc1 CC(C)[*:1] O=C1C[C@H](c2c[nH+]cn2[*:1])[C@@H](N1)c1ccccc1
COc1ccc(-c2nc3ccccc3n2[C@H](C)C(C)=O)cc1 CC(=O)[*:1] COc1ccc(cc1)-c1nc2ccccc2n1[C@H](C)[*:1]
O=C(NC1(c2ccccc2)CCCCC1)c1cc[nH]n1 c1ccc(cc1)[*:1] O=C(NC1(CCCCC1)[*:1])c1cc[nH]n1
O=C(NC1(c2ccccc2)CCCCC1)c1cc[nH]n1 c1cc(n[nH]1)[*:1] O=C(NC1(CCCCC1)c1ccccc1)[*:1]
Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] Clc1ccc(cc1)-n1ncc2c(ncnc21)N[*:1]
Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)N[*:1] Clc1ccc(cc1)-n1ncc2c(ncnc21)[*:1]
Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)Nc1ncnc2c1cnn2[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)CCc1nc(-c2ccco2)no1 c1coc(c1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)CCc1nc(no1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)CCc1nc(-c2ccco2)no1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)CCc1nc(no1)-c1ccco1)[*:1]
CCn1cc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1=O CC(C)(C)[*:1] CCn1cc(ccc1=O)NC(=O)c1ccc(cc1)CNC(=O)O[*:1]
CCn1cc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1=O CCn1cc(ccc1=O)[*:1] CC(C)(C)OC(=O)NCc1ccc(cc1)C(=O)N[*:1]
CCn1cc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1=O CC(C)(C)OC(=O)NC[*:1] CCn1cc(ccc1=O)NC(=O)c1ccc(cc1)[*:1]
CCn1cc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1=O CC(C)(C)OC(=O)N[*:1] CCn1cc(ccc1=O)NC(=O)c1ccc(cc1)C[*:1]
CC(C)(C)OC(=O)N1CC(=CC(=O)NCc2cccc(-n3cccn3)c2)C1 CC(C)(C)[*:1] O=C(C=C1CN(C1)C(=O)O[*:1])NCc1cccc(c1)-n1cccn1
CC(C)(C)OC(=O)N1CC(=CC(=O)NCc2cccc(-n3cccn3)c2)C1 c1cnn(c1)[*:1] CC(C)(C)OC(=O)N1CC(=CC(=O)NCc2cccc(c2)[*:1])C1
N#CCc1ccc(NC(=O)CSc2ncnc3sccc23)cc1 N#CC[*:1] O=C(CSc1ncnc2sccc12)Nc1ccc(cc1)[*:1]
CCn1ncnc1[C@@H](C)Nc1nc(C(C)(C)C)nc2c1cnn2C CCn1ncnc1[*:1] C[C@@H](Nc1nc(nc2c1cnn2C)C(C)(C)C)[*:1]
CCn1ncnc1[C@@H](C)Nc1nc(C(C)(C)C)nc2c1cnn2C CC(C)(C)[*:1] CCn1ncnc1[C@@H](C)Nc1nc(nc2c1cnn2C)[*:1]
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)s2)C2=C(CC(C)(C)CC2=O)N1 Cc1ccc(s1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)OC[C@H]1CCCO1)[*:1]
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)s2)C2=C(CC(C)(C)CC2=O)N1 C1CO[C@H](C1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)OC[*:1])c1ccc(C)s1
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)s2)C2=C(CC(C)(C)CC2=O)N1 C1CO[C@H](C1)C[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)O[*:1])c1ccc(C)s1
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(C)s2)C2=C(CC(C)(C)CC2=O)N1 O=C(OC[C@H]1CCCO1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1[*:1])c1ccc(C)s1
Cc1ccsc1C[NH+](C)C1CCN(S(C)(=O)=O)CC1 Cc1ccsc1[*:1] C[NH+](C[*:1])C1CCN(CC1)S(C)(=O)=O
CC(C)C1=NO[C@@H](C(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)C1 CC(C)c1cc([nH]n1)[*:1] CC(C)C1C[C@@H](ON=1)C(=O)N1CCC(CC1)[*:1]
CC(C)C1=NO[C@@H](C(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)C1 CC(C)[*:1] CC(C)C1C[C@@H](ON=1)C(=O)N1CCC(CC1)c1cc(n[nH]1)[*:1]
CC(C)C1=NO[C@@H](C(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)C1 CC(C)[*:1] CC(C)c1cc([nH]n1)C1CCN(CC1)C(=O)[C@H]1CC(=NO1)[*:1]
COC(=O)[C@H]1CCCN(C(=O)CCCn2ccc3cc(Cl)ccc32)C1 COC(=O)[*:1] O=C(CCCn1ccc2cc(Cl)ccc21)N1CCC[C@@H](C1)[*:1]
COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(=O)[nH]c2)C1 O=C([O-])[*:1] COCC[C@@]1(CCCN(C1)C(=O)c1ccc(=O)[nH]c1)[*:1]
COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(=O)[nH]c2)C1 O=c1ccc(c[nH]1)[*:1] COCC[C@@]1(CCCN(C1)C(=O)[*:1])C(=O)[O-]
COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(=O)[nH]c2)C1 COCC[*:1] O=C(c1ccc(=O)[nH]c1)N1CCC[C@](C1)(C(=O)[O-])[*:1]
COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(=O)[nH]c2)C1 COC[*:1] O=C(c1ccc(=O)[nH]c1)N1CCC[C@](C1)(C[*:1])C(=O)[O-]
CCc1ccc(O[C@H](CC)C(=O)[O-])c(Cl)c1 O=C([O-])[*:1] CCc1ccc(O[C@H](CC)[*:1])c(Cl)c1
C[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CCN1C[C@@H](C)O[C@H](C)C1 O=C([O-])[*:1] C[NH2+][C@@]1(CCC[C@H]1CCN1C[C@@H](C)O[C@H](C)C1)[*:1]
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(F)cc2Br)c1 CN(C)S(=O)(=O)[*:1] O=C(NNC(=O)c1ccc(F)cc1Br)c1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(F)cc2Br)c1 Fc1ccc(c(Br)c1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)C(=O)NNC(=O)[*:1]
COC[C@H](C)NC(=O)c1cn(C)nc1-c1ccc(F)cc1F COC[*:1] C[C@H](NC(=O)c1cn(C)nc1-c1ccc(F)cc1F)[*:1]
COC[C@H](C)NC(=O)c1cn(C)nc1-c1ccc(F)cc1F COC[C@H](C)[*:1] Cn1cc(C(=O)N[*:1])c(n1)-c1ccc(F)cc1F
NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 NC(=O)c1ccccc1O[*:1] O=C(NCC#CC[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(cc1)[*:1]
NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 NC(=O)[*:1] O=C(NCC#CCOc1ccccc1[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 NC(=O)c1ccccc1[*:1] O=C(NCC#CCO[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
COc1cccc(-c2nc3nc4ccccc4nc3n2CCCOC(C)C)c1 CC(C)OCCC[*:1] COc1cccc(c1)-c1nc2nc3ccccc3nc2n1[*:1]
COc1cccc(-c2nc3nc4ccccc4nc3n2CCCOC(C)C)c1 COc1cccc(c1)[*:1] CC(C)OCCCn1c(nc2nc3ccccc3nc21)[*:1]
COc1cccc(-c2nc3nc4ccccc4nc3n2CCCOC(C)C)c1 CC(C)OCC[*:1] COc1cccc(c1)-c1nc2nc3ccccc3nc2n1C[*:1]
COc1cccc(-c2nc3nc4ccccc4nc3n2CCCOC(C)C)c1 CC(C)O[*:1] COc1cccc(c1)-c1nc2nc3ccccc3nc2n1CCC[*:1]
COc1cccc(-c2nc3nc4ccccc4nc3n2CCCOC(C)C)c1 CC(C)[*:1] COc1cccc(c1)-c1nc2nc3ccccc3nc2n1CCCO[*:1]
COc1cccc(-c2nc3nc4ccccc4nc3n2CCCOC(C)C)c1 CC(C)OC[*:1] COc1cccc(c1)-c1nc2nc3ccccc3nc2n1CC[*:1]
COc1ccc(NC(=O)NCc2cccs2)c(OC)c1 c1csc(c1)C[*:1] COc1ccc(NC(=O)N[*:1])c(c1)OC
COc1ccc(NC(=O)NCc2cccs2)c(OC)c1 c1csc(c1)[*:1] COc1ccc(NC(=O)NC[*:1])c(c1)OC
CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 C1CCC(C1)[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(cc1)O[*:1]
CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 C1CCC(C1)O[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(cc1)[*:1]
CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 CCC[*:1] O=C(Nc1ccc(cc1)OC1CCCC1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(NCc1cc2ccccc2o1)[C@H]1CC(=O)N(Cc2cccnc2)C1 c1cncc(c1)[*:1] O=C(NCc1cc2ccccc2o1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(NCc1cc2ccccc2o1)[C@H]1CC(=O)N(Cc2cccnc2)C1 c1cncc(c1)C[*:1] O=C(NCc1cc2ccccc2o1)[C@H]1CC(=O)N(C1)[*:1]
CN(C(=O)NC[C@H]1Cc2ccccc2O1)[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(C(=O)NC[C@H]1Cc2ccccc2O1)[C@@H]1CCN(C1=O)[*:1]
CN(C(=O)NC[C@H]1Cc2ccccc2O1)[C@@H]1CCN(c2ccccc2)C1=O c1ccc2O[C@H](Cc2c1)[*:1] CN(C(=O)NC[*:1])[C@@H]1CCN(C1=O)c1ccccc1
CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccco3)CC2)cc1 c1coc(c1)C[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H](C)N1CC[NH+](CC1)[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccco3)CC2)cc1 c1coc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H](C)N1CC[NH+](CC1)C[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccco3)CC2)cc1 CC(=O)[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])N1CC[NH+](CC1)Cc1ccco1
COc1cc(/C=N\n2cnn(Cc3ccccc3Cl)c2=S)cc(OC)c1OC Clc1ccccc1[*:1] COc1cc(/C=N\n2cnn(C[*:1])c2=S)cc(OC)c1OC
COc1cc(/C=N\n2cnn(Cc3ccccc3Cl)c2=S)cc(OC)c1OC Clc1ccccc1C[*:1] COc1cc(/C=N\n2cnn(c2=S)[*:1])cc(OC)c1OC
C[C@H](CCO)CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 C[C@H](CCO)[*:1] O=C(NC[*:1])N[C@@H](c1ccc(Cl)cc1)C1CCC1
C[C@H](CCO)CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 OCC[*:1] C[C@H](CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)[*:1]
C[C@H](CCO)CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 C1CC(C1)[*:1] C[C@H](CCO)CNC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
C[C@H](CCO)CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 C[C@H](CCO)C[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)N[*:1]
C[C@H](CCO)CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 Clc1ccc(cc1)[*:1] C[C@H](CCO)CNC(=O)N[C@@H](C1CCC1)[*:1]
C=C(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N1CCCc2ccccc21 C=C(C)C(=O)N[*:1] C[C@@H](c1nc2ccccc2n1CC(=O)N1CCCc2ccccc21)[*:1]
C=C(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N1CCCc2ccccc21 C=C(C)[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)N1CCCc2ccccc21
CCOC(=O)c1cnc(N2CCc3ccccc32)nc1N CCOC(=O)[*:1] Nc1nc(ncc1[*:1])N1CCc2ccccc21
Cn1nnnc1-c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 Cn1nnnc1[*:1] O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(c1)[*:1]
Cn1nnnc1-c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cn1nnnc1-c1cccc(c1)NC(=O)CCS(=O)(=O)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nnc(C(C)(C)C)s1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)Nc1nnc(s1)C(C)(C)C)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nnc(C(C)(C)C)s1 CC(C)(C)[*:1] Cc1cc(C)c(c(C)c1C(=O)Nc1nnc(s1)[*:1])[N+](=O)[O-]
CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 Cc1ccc(cc1)[*:1] CC[C@@H](O[*:1])C(=O)Nc1ccccc1C(=O)N1CCCC1
CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1[*:1]
CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 Cc1ccc(cc1)O[*:1] CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)[*:1]
CCOC(=O)[C@H](C)NC(=O)COc1cc(C)ccc1C CCOC(=O)[*:1] Cc1ccc(C)c(c1)OCC(=O)N[C@@H](C)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N(C)CC3CCC3)cc12 C1CC(C1)[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)N(C)C[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N(C)CC3CCC3)cc12 C1CC(C1)C[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)N(C)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N(C)CC3CCC3)cc12 COC(=O)[*:1] CN(CC1CCC1)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
CC(C)CC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 CC(C)[*:1] O=C(C[*:1])N1CCO[C@H](C1)c1ccc(F)c(Cl)c1
CC(C)CC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 CC(C)C[*:1] O=C(N1CCO[C@H](C1)c1ccc(F)c(Cl)c1)[*:1]
COc1ccc2[nH]c(C(=O)N3CCN(c4ccccc4C)C[C@@H]3C)cc2c1 Cc1ccccc1[*:1] COc1ccc2[nH]c(cc2c1)C(=O)N1CCN(C[C@@H]1C)[*:1]
CC(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CC(=O)N1CCN(CC1)CC(=O)Nc1ccccc1C(=O)N[*:1]
CC(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)CC1 CC(=O)N1CCN(CC1)[*:1] Cc1cccc(c1)NC(=O)c1ccccc1NC(=O)C[*:1]
COC(=O)c1c(NC(=O)C=CC(=O)[O-])sc(C)c1C O=C([O-])C=C[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C)c1C
COC(=O)c1c(NC(=O)C=CC(=O)[O-])sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)C=CC(=O)[O-])c(c1C)[*:1]
COC(=O)c1c(NC(=O)C=CC(=O)[O-])sc(C)c1C O=C([O-])[*:1] COC(=O)c1c(NC(=O)C=C[*:1])sc(C)c1C
CN(C)c1ncccc1N(C)C(=O)COc1ccc(C(N)=O)cc1 CN(C)[*:1] CN(C(=O)COc1ccc(cc1)C(N)=O)c1cccnc1[*:1]
CN(C)c1ncccc1N(C)C(=O)COc1ccc(C(N)=O)cc1 NC(=O)[*:1] CN(C)c1ncccc1N(C)C(=O)COc1ccc(cc1)[*:1]
CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)n1 CC(C)n1nccc1[*:1] CCCc1cc(=O)[nH]c(n1)S[C@@H](C)C(=O)N[*:1]
CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)n1 CCC[*:1] CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc(cc(=O)[nH]1)[*:1]
CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)n1 CC(C)[*:1] CCCc1cc(=O)[nH]c(n1)S[C@@H](C)C(=O)Nc1ccnn1[*:1]
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccco1 c1coc(c1)[*:1] N#CC1=C(N)Oc2c(oc(cc2=O)CO)[C@@H]1[*:1]
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(NCCC1=CCCCC1)C1CCN(CC1)S(=O)(=O)[*:1]
CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc2nc(C)sc2c1 CC[C@H](C)NC(=O)[*:1] Cc1nc2ccc(cc2s1)S(=O)(=O)N(C)C[*:1]
CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc2nc(C)sc2c1 CC[C@H](C)[*:1] Cc1nc2ccc(cc2s1)S(=O)(=O)N(C)CC(=O)N[*:1]
Cc1nc(/C=C/C(=O)O[C@H](C)c2nc3ccccc3n2C)cs1 Cc1nc(cs1)[*:1] C[C@@H](OC(=O)C=C[*:1])c1nc2ccccc2n1C
COc1ccc(S(N)(=O)=O)cc1N[C@H](C)c1ccoc1 c1cc(co1)[*:1] COc1ccc(cc1N[C@H](C)[*:1])S(N)(=O)=O
COc1ccc(S(N)(=O)=O)cc1N[C@H](C)c1ccoc1 NS(=O)(=O)[*:1] COc1ccc(cc1N[C@H](C)c1ccoc1)[*:1]
c1cc(CN2CC[NH+](CCOC[C@H]3CCCO3)CC2)no1 c1cc(no1)[*:1] C1CO[C@H](C1)COCC[NH+]1CCN(CC1)C[*:1]
c1cc(CN2CC[NH+](CCOC[C@H]3CCCO3)CC2)no1 C1CO[C@H](C1)[*:1] c1cc(CN2CC[NH+](CCOC[*:1])CC2)no1
c1cc(CN2CC[NH+](CCOC[C@H]3CCCO3)CC2)no1 C1CO[C@H](C1)CO[*:1] c1cc(CN2CC[NH+](CC2)CC[*:1])no1
c1cc(CN2CC[NH+](CCOC[C@H]3CCCO3)CC2)no1 c1cc(C[*:1])no1 C1CO[C@H](C1)COCC[NH+]1CCN(CC1)[*:1]
c1cc(CN2CC[NH+](CCOC[C@H]3CCCO3)CC2)no1 C1CO[C@H](C1)C[*:1] c1cc(CN2CC[NH+](CCO[*:1])CC2)no1
CCCc1noc(CS[C@H](C)C(=O)Nc2ccccc2F)n1 CCC[*:1] C[C@@H](SCc1nc(no1)[*:1])C(=O)Nc1ccccc1F
CCCc1noc(CS[C@H](C)C(=O)Nc2ccccc2F)n1 Fc1ccccc1[*:1] CCCc1noc(CS[C@H](C)C(=O)N[*:1])n1
COc1cc(OC)c(OC)cc1/C=C1\N=C(c2ccc(C)c(C)c2)OC1=O Cc1ccc(cc1C)[*:1] COc1cc(OC)c(cc1/C=C1\N=C(OC1=O)[*:1])OC
CC(C)C[C@@H](C[NH3+])c1nc(-c2cncc(Br)c2)no1 CC(C)C[*:1] [NH3+]C[C@@H](c1nc(no1)-c1cncc(Br)c1)[*:1]
CC(C)C[C@@H](C[NH3+])c1nc(-c2cncc(Br)c2)no1 CC(C)[*:1] [NH3+]C[C@H](C[*:1])c1nc(no1)-c1cncc(Br)c1
Cc1cc(C[C@H](C)[NH2+][C@@H](C)C2CCOCC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C[C@H](C)[NH2+][C@@H](C)C2CCOCC2)n(n1)[*:1]
Cc1cc(C[C@H](C)[NH2+][C@@H](C)C2CCOCC2)n(-c2ccccc2)n1 C1CC(CCO1)[*:1] Cc1cc(C[C@H](C)[NH2+][C@@H](C)[*:1])n(n1)-c1ccccc1
C[C@@H](c1ccccc1F)N(C)C(=O)C[C@H](O)c1cccc(F)c1 Fc1ccccc1[*:1] C[C@@H](N(C)C(=O)C[C@H](O)c1cccc(F)c1)[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)C[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)C[C@H](O)[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(-c2nnco2)cc1 c1nnc(o1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)NCc2cn3ccsc3n2)C1 CC(C)C[*:1] O=C(NCc1cn2ccsc2n1)N1CC[C@H](C1)OC[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)NCc2cn3ccsc3n2)C1 CC(C)CCO[*:1] O=C(NCc1cn2ccsc2n1)N1CC[C@H](C1)[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)NCc2cn3ccsc3n2)C1 CC(C)CC[*:1] O=C(NCc1cn2ccsc2n1)N1CC[C@H](C1)O[*:1]
CC(C)CCO[C@@H]1CCN(C(=O)NCc2cn3ccsc3n2)C1 CC(C)[*:1] O=C(NCc1cn2ccsc2n1)N1CC[C@H](C1)OCC[*:1]
CC(C)c1ccc([C@H]2CC(=O)N(CC(=O)N(C)Cc3ccccc3)C(=O)N2)cc1 c1ccc(cc1)C[*:1] CC(C)c1ccc(cc1)[C@H]1CC(=O)N(CC(=O)N(C)[*:1])C(=O)N1
CC(C)c1ccc([C@H]2CC(=O)N(CC(=O)N(C)Cc3ccccc3)C(=O)N2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(cc1)[C@H]1CC(=O)N(CC(=O)N(C)C[*:1])C(=O)N1
CC(C)c1ccc([C@H]2CC(=O)N(CC(=O)N(C)Cc3ccccc3)C(=O)N2)cc1 CC(C)[*:1] CN(Cc1ccccc1)C(=O)CN1C(=O)C[C@@H](NC1=O)c1ccc(cc1)[*:1]
CC(C)c1ccc([C@H]2CC(=O)N(CC(=O)N(C)Cc3ccccc3)C(=O)N2)cc1 CC(C)c1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)CN1C(=O)C[C@@H](NC1=O)[*:1]
CCCc1c(-c2ccccc2SC)sc(C#N)c1N CCC[*:1] CSc1ccccc1-c1sc(C#N)c(N)c1[*:1]
COc1ccc(C)cc1-n1nnnc1S[C@H](C(=O)N(C)C)c1ccccc1 COc1ccc(C)cc1[*:1] CN(C)C(=O)[C@@H](Sc1nnnn1[*:1])c1ccccc1
COc1ccc(C)cc1-n1nnnc1S[C@H](C(=O)N(C)C)c1ccccc1 CN(C)C(=O)[*:1] COc1ccc(C)cc1-n1nnnc1S[C@H](c1ccccc1)[*:1]
COc1ccc(C)cc1-n1nnnc1S[C@H](C(=O)N(C)C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1-n1nnnc1S[C@H](C(=O)N(C)C)[*:1]
CC(C)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCCc2ccc(F)cc21 CC(C)[*:1] O=C(Nc1ccccc1O[*:1])C(=O)N[C@@H]1CCCc2ccc(F)cc21
CC(C)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCCc2ccc(F)cc21 CC(C)O[*:1] O=C(Nc1ccccc1[*:1])C(=O)N[C@@H]1CCCc2ccc(F)cc21
C[C@@H](NC(=O)NCC1(O)CCOCC1)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] C[C@@H](NC(=O)NCC1(O)CCOCC1)c1nc(no1)[*:1]
C[C@@H](NC(=O)NCC1(O)CCOCC1)c1nc(C2CCCC2)no1 OC1(CCOCC1)C[*:1] C[C@@H](NC(=O)N[*:1])c1nc(no1)C1CCCC1
C[C@@H](NC(=O)NCC1(O)CCOCC1)c1nc(C2CCCC2)no1 OC1(CCOCC1)[*:1] C[C@@H](NC(=O)NC[*:1])c1nc(no1)C1CCCC1
CC[NH+](CC)C1CCN(C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)CC1 O=C(C[*:1])Nc1nccs1 CC[NH+](CC)C1CCN(CC1)C(=O)c1ccc(=O)n(c1)[*:1]
CC[NH+](CC)C1CCN(C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)CC1 c1csc(n1)[*:1] CC[NH+](CC)C1CCN(CC1)C(=O)c1ccc(=O)n(c1)CC(=O)N[*:1]
CC[NH+](CC)C1CCN(C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)CC1 O=C(Nc1nccs1)[*:1] CC[NH+](CC)C1CCN(CC1)C(=O)c1ccc(=O)n(c1)C[*:1]
Cc1noc(CCNS(=O)(=O)c2csc3ccc(Cl)cc23)n1 Cc1noc(n1)[*:1] O=S(=O)(NCC[*:1])c1csc2ccc(Cl)cc12
Cc1noc(CCNS(=O)(=O)c2csc3ccc(Cl)cc23)n1 Cc1noc(C[*:1])n1 O=S(=O)(NC[*:1])c1csc2ccc(Cl)cc12
CC[C@@H](C)NS(=O)(=O)c1cnn(-c2ccccn2)c1 c1ccc(nc1)[*:1] CC[C@@H](C)NS(=O)(=O)c1cnn(c1)[*:1]
CC[C@@H](C)NS(=O)(=O)c1cnn(-c2ccccn2)c1 CC[C@@H](C)[*:1] O=S(=O)(N[*:1])c1cnn(c1)-c1ccccn1
C[C@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
CC(=O)c1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 O=C([O-])[*:1] CC(=O)c1ccc(cc1)N1/C(=N/C(=O)CCC[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CC(=O)c1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 O=C([O-])CCC[*:1] CC(=O)c1ccc(cc1)N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CC(=O)c1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 CC(=O)[*:1] O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 O=C([O-])CC[*:1] CC(=O)c1ccc(cc1)N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CC(=O)c1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 CC(=O)c1ccc(cc1)[*:1] O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
CC(=O)c1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 O=C([O-])C[*:1] CC(=O)c1ccc(cc1)N1/C(=N/C(=O)CC[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1[*:1]
COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 COc1ccc(cc1)C[*:1] Cc1ccc(cc1)N1C(=O)c2ccccc2C[C@]1(C)C(=O)N[*:1]
COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)c2ccccc2C[C@]1(C)C(=O)NC[*:1]
C[C@@H]1CCCN(c2ccc(NC(=O)Cc3cccs3)c(C(=O)[O-])c2)C1 c1csc(c1)C[*:1] C[C@@H]1CCCN(C1)c1ccc(NC(=O)[*:1])c(c1)C(=O)[O-]
C[C@@H]1CCCN(c2ccc(NC(=O)Cc3cccs3)c(C(=O)[O-])c2)C1 c1csc(c1)[*:1] C[C@@H]1CCCN(C1)c1ccc(NC(=O)C[*:1])c(c1)C(=O)[O-]
C[C@@H]1CCCN(c2ccc(NC(=O)Cc3cccs3)c(C(=O)[O-])c2)C1 C[C@@H]1CCCN(C1)[*:1] O=C(Cc1cccs1)Nc1ccc(cc1C(=O)[O-])[*:1]
C[C@@H]1CCCN(c2ccc(NC(=O)Cc3cccs3)c(C(=O)[O-])c2)C1 O=C([O-])[*:1] C[C@@H]1CCCN(C1)c1ccc(NC(=O)Cc2cccs2)c(c1)[*:1]
C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(Cl)s2)C1=O Clc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(Cc2ccc(Cl)s2)C1=O)[*:1]
C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(Cl)s2)C1=O Clc1ccc(C[*:1])s1 C[C@@]1(NC(=O)N(C1=O)[*:1])c1ccc(Cl)cc1
C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(Cl)s2)C1=O Clc1ccc(s1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(Cl)cc1
CCc1ccc2nc(NC(=O)[C@@H](C)CS(C)(=O)=O)sc2c1 CS(=O)(=O)[*:1] CCc1ccc2nc(NC(=O)[C@@H](C)C[*:1])sc2c1
CCc1ccc2nc(NC(=O)[C@@H](C)CS(C)(=O)=O)sc2c1 C[C@@H](CS(C)(=O)=O)[*:1] CCc1ccc2nc(NC(=O)[*:1])sc2c1
CCc1ccc2nc(NC(=O)[C@@H](C)CS(C)(=O)=O)sc2c1 CS(=O)(=O)C[*:1] CCc1ccc2nc(NC(=O)[C@@H](C)[*:1])sc2c1
Cc1cc(Br)ccc1NC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 Cc1cc(Br)ccc1[*:1] O=C(N[C@@H]1CC(=O)N(C1)c1cccc(F)c1)N[*:1]
Cc1cc(Br)ccc1NC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] Cc1cc(Br)ccc1NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
N#Cc1c(F)cccc1OCCS SCC[*:1] N#Cc1c(F)cccc1O[*:1]
N#Cc1c(F)cccc1OCCS SCCO[*:1] N#Cc1c(F)cccc1[*:1]
Cc1noc([C@H](C)N2CCN(C(=O)CCC(C)C)CC2)n1 CC(C)CC[*:1] Cc1noc(n1)[C@H](C)N1CCN(CC1)C(=O)[*:1]
Cc1noc([C@H](C)N2CCN(C(=O)CCC(C)C)CC2)n1 CC(C)C[*:1] Cc1noc(n1)[C@H](C)N1CCN(CC1)C(=O)C[*:1]
Cc1noc([C@H](C)N2CCN(C(=O)CCC(C)C)CC2)n1 CC(C)[*:1] Cc1noc(n1)[C@H](C)N1CCN(CC1)C(=O)CC[*:1]
Cc1noc([C@H](C)N2CCN(C(=O)CCC(C)C)CC2)n1 Cc1noc(n1)[*:1] CC(C)CCC(=O)N1CCN(CC1)[C@@H](C)[*:1]
Cc1sc(NC(=S)NC(=O)c2cccc(Cl)c2)c(C(N)=O)c1C Clc1cccc(c1)[*:1] Cc1sc(NC(=S)NC(=O)[*:1])c(C(N)=O)c1C
Cc1sc(NC(=S)NC(=O)c2cccc(Cl)c2)c(C(N)=O)c1C NC(=O)[*:1] Cc1sc(NC(=S)NC(=O)c2cccc(Cl)c2)c(c1C)[*:1]
COc1ccc(F)c(NC(=O)c2cc(-c3ccc(C)cc3)no2)c1 Cc1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)c1cc(no1)[*:1]
Cn1nc(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)ccc1=O C1CCC(C1)O[*:1] Cn1nc(ccc1=O)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cn1nc(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)ccc1=O C1CCC(C1)[*:1] Cn1nc(ccc1=O)C(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
N#Cc1ccc(C(=O)Nc2cnn(-c3ncccn3)c2)cc1 c1cnc(nc1)[*:1] N#Cc1ccc(cc1)C(=O)Nc1cnn(c1)[*:1]
C#CCN1CCC(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 C#CC[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)C1CCN(CC1)[*:1]
N#Cc1ccc(OCCCn2cnc([N+](=O)[O-])n2)cc1 O=[N+]([O-])[*:1] N#Cc1ccc(cc1)OCCCn1cnc(n1)[*:1]
Cc1sc2ncn([C@H](C)Cn3cncn3)c(=O)c2c1C c1ncn(C[*:1])n1 Cc1sc2ncn(c(=O)c2c1C)[C@H](C)[*:1]
Cc1sc2ncn([C@H](C)Cn3cncn3)c(=O)c2c1C c1ncn(n1)[*:1] Cc1sc2ncn(c(=O)c2c1C)[C@H](C)C[*:1]
CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1C[C@@H](C)C[C@@H](C)C1)C(=O)CO2 CCN(CC)S(=O)(=O)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CN1C(=O)COc2ccc(cc21)[*:1]
CCOCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 CCOCC[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1
CCOCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCOCCCNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 CCOCCC[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1
CCOCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 CCO[*:1] O=C(NCCC[*:1])[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1
CCOCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 CCOC[*:1] O=C(NCC[*:1])[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1
CN1C(=O)N[C@H](c2ccc(O)cc2)C2=C1CC(C)(C)CC2=O Oc1ccc(cc1)[*:1] CN1C(=O)N[C@H](C2C(=O)CC(C)(C)CC=21)[*:1]
CN(Cc1nc2ccccc2o1)C(=O)CCOc1ccc(C(N)=O)cc1 NC(=O)[*:1] CN(Cc1nc2ccccc2o1)C(=O)CCOc1ccc(cc1)[*:1]
COc1ccc(C(=O)N[C@@H](C(=O)N2CC(C)(C)C2(C)C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)N[C@@H](C(=O)N1CC(C)(C)C1(C)C)[*:1]
COc1ccc(C(=O)N[C@@H](C(=O)N2CC(C)(C)C2(C)C)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CC(C)(C)C1(C)C
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 Clc1ccc(cn1)[*:1] C=CCNC(=O)c1ccc(cc1)[N-]S(=O)(=O)[*:1]
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 C=CCNC(=O)[*:1] O=S(=O)([N-]c1ccc(cc1)[*:1])c1ccc(Cl)nc1
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 C=CC[*:1] O=C(N[*:1])c1ccc(cc1)[N-]S(=O)(=O)c1ccc(Cl)nc1
CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2)NC(=S)N1 c1ccc(cc1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)N1CCOCC1)[*:1]
CC[C@@H](Sc1nnc2nc3[nH]c4ccccc4c3nn12)C(=O)Nc1sc2c(c1C#N)CCCC2 N#Cc1c(sc2CCCCc21)[*:1] CC[C@@H](Sc1nnc2nc3[nH]c4ccccc4c3nn12)C(=O)N[*:1]
O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1N[C@@H](CSCc2ccccc2)C(=O)N2C[C@H](C[C@@H]12)NC(=O)[*:1]
O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1)c1ccc(Cl)cc1 c1ccc(cc1)CSC[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](C(=O)N2C1)[*:1])c1ccc(Cl)cc1
O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CS[*:1])C(=O)N2C1)c1ccc(Cl)cc1
O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1)c1ccc(Cl)cc1 c1ccc(cc1)CS[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](C[*:1])C(=O)N2C1)c1ccc(Cl)cc1
O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSC[*:1])C(=O)N2C1)c1ccc(Cl)cc1
O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CSCc3ccccc3)C(=O)N2C1)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 O=C1N[C@@H](CSCc2ccccc2)C(=O)N2C[C@H](C[C@@H]12)[*:1]
Cc1nn(C)c(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1nn(C)c(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 Cc1nn(C)c(C)c1[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccccc1
CC(=O)Nc1ccc(SCCOc2c(C)cccc2C)cc1 CC(=O)N[*:1] Cc1cccc(C)c1OCCSc1ccc(cc1)[*:1]
CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1C CCO[*:1] Cc1cc(cc(C)c1[*:1])S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2C
CC(C)[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 CC(C)[C@H](C)[*:1] C[C@H]([NH2+]C[*:1])c1cc(F)cc(F)c1
CC(C)[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 CC(C)[*:1] C[C@H]([NH2+]C[C@@H](C)[*:1])c1cc(F)cc(F)c1
Cc1ccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)[nH+]1 O=[N+]([O-])[*:1] Cc1ccc(N[C@@H](C)c2ccccc2[*:1])c(C)[nH+]1
Cc1ccc(N(C)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)c1cc([nH]n1)-c1ccc(Br)cc1)[*:1]
Cc1ccc(N(C)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)N(C)C(=O)c1cc([nH]n1)[*:1]
O=c1c2cnc(NC3CCCCC3)nc2nc([O-])n1Cc1ccco1 c1coc(c1)[*:1] O=c1c2cnc(nc2nc([O-])n1C[*:1])NC1CCCCC1
O=c1c2cnc(NC3CCCCC3)nc2nc([O-])n1Cc1ccco1 c1coc(c1)C[*:1] O=c1c2cnc(nc2nc([O-])n1[*:1])NC1CCCCC1
O=c1c2cnc(NC3CCCCC3)nc2nc([O-])n1Cc1ccco1 C1CCC(CC1)[*:1] O=c1c2cnc(nc2nc([O-])n1Cc1ccco1)N[*:1]
O=c1c2cnc(NC3CCCCC3)nc2nc([O-])n1Cc1ccco1 C1CCC(CC1)N[*:1] O=c1c2cnc(nc2nc([O-])n1Cc1ccco1)[*:1]
CCC(=O)Nc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 CCC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])N1CC[NH+](CC1)C[C@@H]1CCOC1
Cc1cc2c(N(CCCO)Cc3ccccc3)ncnc2s1 c1ccc(cc1)[*:1] Cc1cc2c(ncnc2s1)N(CCCO)C[*:1]
Cc1cc2c(N(CCCO)Cc3ccccc3)ncnc2s1 OCC[*:1] Cc1cc2c(ncnc2s1)N(Cc1ccccc1)C[*:1]
Cc1cc2c(N(CCCO)Cc3ccccc3)ncnc2s1 OCCC[*:1] Cc1cc2c(ncnc2s1)N(Cc1ccccc1)[*:1]
Cc1cc2c(N(CCCO)Cc3ccccc3)ncnc2s1 c1ccc(cc1)C[*:1] Cc1cc2c(ncnc2s1)N(CCCO)[*:1]
CN(C)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 c1csc(c1)[*:1] CN(C)C(=O)c1ccc(cc1)S(=O)(=O)NCC[*:1]
CN(C)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 CN(C)C(=O)[*:1] O=S(=O)(NCCc1cccs1)c1ccc(cc1)[*:1]
CN(C)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 c1csc(c1)CC[*:1] CN(C)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CN(C)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 c1csc(c1)C[*:1] CN(C)C(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
COC(C)(C)CCC[C@@H](C)CCO OCC[*:1] COC(C)(C)CCC[C@@H](C)[*:1]
CO[C@@H](C)c1noc(CC[C@@H]2CCC[NH2+]C2)n1 CO[C@@H](C)[*:1] C1C[NH2+]C[C@@H](C1)CCc1nc(no1)[*:1]
CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NC4CC4)c3)C2)cc1 C1CC1[*:1] CCOc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)c1cccc(c1)C(=O)N[*:1]
CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NC4CC4)c3)C2)cc1 CCOc1ccc(cc1)[*:1] O=C(NC1CC1)c1cccc(c1)[C@H]1CCCN(C1)C(=O)N[*:1]
CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NC4CC4)c3)C2)cc1 CCO[*:1] O=C(NC1CC1)c1cccc(c1)[C@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NC4CC4)c3)C2)cc1 O=C(NC1CC1)[*:1] CCOc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)c1cccc(c1)[*:1]
COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(NC(C)=O)cc1 CC(=O)Nc1ccc(cc1)[*:1] COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)N[*:1]
COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(NC(C)=O)cc1 COc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)[C@H]1CC(O)=Nc2c(cnn21)[*:1]
O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCOCC1 C1CN(CCO1)[*:1] O[C@H](CO[C@H]1CCCc2ccccc21)C[*:1]
O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCOCC1 C1CN(CCO1)C[*:1] O[C@H](CO[C@H]1CCCc2ccccc21)[*:1]
C[C@H](C(=O)N(C1CC1)[C@H]1CCCc2ccccc21)n1cncn1 C1CC1[*:1] C[C@H](C(=O)N([C@H]1CCCc2ccccc21)[*:1])n1cncn1
C[C@H](C(=O)N(C1CC1)[C@H]1CCCc2ccccc21)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)N(C1CC1)[C@H]1CCCc2ccccc21)[*:1]
CNC(=O)C[NH+](C)CCn1cc(C(=O)[O-])nn1 O=C([O-])[*:1] CNC(=O)C[NH+](C)CCn1cc(nn1)[*:1]
CNC(=O)C[NH+](C)CCn1cc(C(=O)[O-])nn1 CNC(=O)C[*:1] C[NH+](CCn1cc(nn1)C(=O)[O-])[*:1]
CNC(=O)C[NH+](C)CCn1cc(C(=O)[O-])nn1 CNC(=O)[*:1] C[NH+](CCn1cc(nn1)C(=O)[O-])C[*:1]
NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC1=c2ccccc2=[NH+]C1 NC(=O)N[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)[C@H](Cc1ccccc1)[*:1]
NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC1=c2ccccc2=[NH+]C1 c1ccc(cc1)[*:1] NC(=O)N[C@@H](C[*:1])C(=O)NCCC1C[NH+]=c2ccccc2=1
NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC1=c2ccccc2=[NH+]C1 c1ccc(cc1)C[*:1] NC(=O)N[C@@H](C(=O)NCCC1C[NH+]=c2ccccc2=1)[*:1]
CCOc1ccccc1N1CC[NH+](C[C@H](C)CS(C)(=O)=O)CC1 CS(=O)(=O)C[*:1] CCOc1ccccc1N1CC[NH+](CC1)C[C@H](C)[*:1]
CCOc1ccccc1N1CC[NH+](C[C@H](C)CS(C)(=O)=O)CC1 CS(=O)(=O)[*:1] CCOc1ccccc1N1CC[NH+](CC1)C[C@H](C)C[*:1]
CCOc1ccccc1N1CC[NH+](C[C@H](C)CS(C)(=O)=O)CC1 CCO[*:1] C[C@@H](C[NH+]1CCN(CC1)c1ccccc1[*:1])CS(C)(=O)=O
COc1ccc(Cl)cc1NS(=O)(=O)c1cn[nH]c1C Cc1[nH]ncc1[*:1] COc1ccc(Cl)cc1NS(=O)(=O)[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)c2csc(COc3ccc(C)cc3C)n2)C1 Cc1ccc(c(C)c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)c1csc(CO[*:1])n1
CCOC(=O)[C@H]1CCCN(C(=O)c2csc(COc3ccc(C)cc3C)n2)C1 CCOC(=O)[*:1] Cc1ccc(OCc2nc(cs2)C(=O)N2CCC[C@@H](C2)[*:1])c(C)c1
CCOC(=O)[C@H]1CCCN(C(=O)c2csc(COc3ccc(C)cc3C)n2)C1 Cc1ccc(O[*:1])c(C)c1 CCOC(=O)[C@H]1CCCN(C1)C(=O)c1csc(C[*:1])n1
O=C1CCC(=O)N1CC[NH2+][C@@H]1CCCc2ccc(Br)cc21 O=C1CCC(=O)N1[*:1] Brc1ccc2CCC[C@@H]([NH2+]CC[*:1])c2c1
CCCSc1cnn(-c2ccc(F)cc2)c1N CCCS[*:1] Nc1c(cnn1-c1ccc(F)cc1)[*:1]
CCCSc1cnn(-c2ccc(F)cc2)c1N CCC[*:1] Nc1c(cnn1-c1ccc(F)cc1)S[*:1]
Cc1cc(Sc2ncn[nH]2)c([C@@H](C)[NH3+])cc1F c1n[nH]c(n1)[*:1] Cc1cc(S[*:1])c(cc1F)[C@@H](C)[NH3+]
Cc1ccccc1C[S@@](=O)[C@@H](C)C(=O)N1CCc2ccccc21 Cc1ccccc1[*:1] C[C@@H](C(=O)N1CCc2ccccc21)[S@](=O)C[*:1]
Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)[O-] c1csc(c1)[*:1] Cc1nc2scc(c2c(=O)n1CC(=O)[O-])[*:1]
Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)[O-] O=C([O-])C[*:1] Cc1nc2scc(-c3cccs3)c2c(=O)n1[*:1]
Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)[O-] O=C([O-])[*:1] Cc1nc2scc(-c3cccs3)c2c(=O)n1C[*:1]
O=C([O-])Cc1ccc2c(c1)NC(=O)CO2 O=C([O-])[*:1] O=C1COc2ccc(cc2N1)C[*:1]
O=C([O-])Cc1ccc2c(c1)NC(=O)CO2 O=C([O-])C[*:1] O=C1COc2ccc(cc2N1)[*:1]
CC(C)n1cnnc1[S@](=O)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 CC(C)[*:1] C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[S@@](=O)c1nncn1[*:1]
CC(=O)N1CCC(NC(=O)C[NH+](C)CCC(C)C)CC1 CC(C)[*:1] CC(=O)N1CCC(CC1)NC(=O)C[NH+](C)CC[*:1]
CC(=O)N1CCC(NC(=O)C[NH+](C)CCC(C)C)CC1 CC(C)C[*:1] CC(=O)N1CCC(CC1)NC(=O)C[NH+](C)C[*:1]
CC(=O)N1CCC(NC(=O)C[NH+](C)CCC(C)C)CC1 CC(C)CC[*:1] CC(=O)N1CCC(CC1)NC(=O)C[NH+](C)[*:1]
CC[NH2+]Cc1ccc(COCc2ccco2)nc1 c1coc(c1)[*:1] CC[NH2+]Cc1ccc(COC[*:1])nc1
CC[NH2+]Cc1ccc(COCc2ccco2)nc1 c1coc(c1)C[*:1] CC[NH2+]Cc1ccc(CO[*:1])nc1
COc1ccc([C@@H]2CCN(C(=O)[C@@H]3SCCc4sccc43)C2)cc1 COc1ccc(cc1)[*:1] O=C([C@@H]1SCCc2sccc21)N1CC[C@H](C1)[*:1]
COc1ccccc1Nc1ncnc(Nc2cccc(C)n2)c1N Cc1cccc(n1)N[*:1] COc1ccccc1Nc1ncnc(c1N)[*:1]
COc1ccccc1Nc1ncnc(Nc2cccc(C)n2)c1N COc1ccccc1[*:1] Cc1cccc(n1)Nc1ncnc(N[*:1])c1N
COc1ccccc1Nc1ncnc(Nc2cccc(C)n2)c1N Cc1cccc(n1)[*:1] COc1ccccc1Nc1ncnc(N[*:1])c1N
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(Cl)ccn1 FC(F)(F)[*:1] O=C(N[C@@H](C[*:1])c1ccc(F)cc1)c1cc(Cl)ccn1
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(Cl)ccn1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](CC(F)(F)F)[*:1])c1cc(Cl)ccn1
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(Cl)ccn1 Clc1ccnc(c1)[*:1] O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(Cl)ccn1 FC(F)(F)C[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])c1cc(Cl)ccn1
Cc1cc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)N(C)c1ccc(cc1)C(C)(C)C
Cc1cc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)cc(S(N)(=O)=O)c1C CC(C)(C)[*:1] Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)N(C)c1ccc(cc1)[*:1]
COc1cccc(COC(=O)c2cccnc2N2CCCC2)c1 C1CCN(C1)[*:1] COc1cccc(c1)COC(=O)c1cccnc1[*:1]
Cn1ccc(NCC(=O)NC(=O)Nc2ccccc2)n1 c1ccc(cc1)[*:1] Cn1ccc(n1)NCC(=O)NC(=O)N[*:1]
Cn1ccc(NCC(=O)NC(=O)Nc2ccccc2)n1 Cn1ccc(n1)[*:1] O=C(CN[*:1])NC(=O)Nc1ccccc1
CS[C@H](C)C(=O)NC[C@H]1CC(=O)Nc2ccccc21 CS[C@H](C)[*:1] O=C1C[C@H](CNC(=O)[*:1])c2ccccc2N1
C#CCN(CC(F)(F)F)C(=O)Cn1cnc2ccccc2c1=O C#CC[*:1] O=C(Cn1cnc2ccccc2c1=O)N(CC(F)(F)F)[*:1]
C#CCN(CC(F)(F)F)C(=O)Cn1cnc2ccccc2c1=O FC(F)(F)[*:1] C#CCN(C[*:1])C(=O)Cn1cnc2ccccc2c1=O
C#CCN(CC(F)(F)F)C(=O)Cn1cnc2ccccc2c1=O FC(F)(F)C[*:1] C#CCN(C(=O)Cn1cnc2ccccc2c1=O)[*:1]
CCOC(=O)c1cncc(-c2sccc2C(=O)[O-])c1 O=C([O-])[*:1] CCOC(=O)c1cncc(c1)-c1sccc1[*:1]
CCOC(=O)c1cncc(-c2sccc2C(=O)[O-])c1 CCOC(=O)[*:1] O=C([O-])c1ccsc1-c1cncc(c1)[*:1]
CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCS(=O)(=O)C(C)(C)C CC(C)(C)[*:1] CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCS(=O)(=O)[*:1]
C=CCN1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 C=CC[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)N1CCN(CC1)[*:1]
C=CCN1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] C=CCN1CCN(CC1)C(=O)[C@H](C)O[*:1]
COCCn1ccc2ccc(NC(=O)C3CCCC3)cc21 C1CCC(C1)[*:1] COCCn1ccc2ccc(cc21)NC(=O)[*:1]
COCCn1ccc2ccc(NC(=O)C3CCCC3)cc21 COCC[*:1] O=C(Nc1ccc2ccn(c2c1)[*:1])C1CCCC1
COCCn1ccc2ccc(NC(=O)C3CCCC3)cc21 COC[*:1] O=C(Nc1ccc2ccn(C[*:1])c2c1)C1CCCC1
Nc1cc(Oc2ccc(Cl)cc2)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Nc1cc(ccc1[*:1])Oc1ccc(Cl)cc1
CC(C)Oc1ccc(NC(=O)NCC(=O)N2CCCCC2)cc1Cl CC(C)[*:1] O=C(NCC(=O)N1CCCCC1)Nc1ccc(O[*:1])c(Cl)c1
CC(C)Oc1ccc(NC(=O)NCC(=O)N2CCCCC2)cc1Cl CC(C)O[*:1] O=C(NCC(=O)N1CCCCC1)Nc1ccc(c(Cl)c1)[*:1]
CC(C)Oc1ccc(NC(=O)NCC(=O)N2CCCCC2)cc1Cl O=C(N1CCCCC1)[*:1] CC(C)Oc1ccc(cc1Cl)NC(=O)NC[*:1]
CC[C@@H]1CN(C(=O)c2csnn2)CC[C@H]1c1ccccc1 c1snnc1[*:1] CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)[*:1]
CC[C@@H]1CN(C(=O)c2csnn2)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@@H]1[*:1])C(=O)c1csnn1
CC(=O)/C=C1/Nc2cc(-c3ccccc3)cc(Br)c2O1 c1ccc(cc1)[*:1] CC(=O)/C=C1/Nc2cc(cc(Br)c2O1)[*:1]
CC(=O)/C=C1/Nc2cc(-c3ccccc3)cc(Br)c2O1 CC(=O)[*:1] Brc1cc(cc2NC(=C[*:1])Oc12)-c1ccccc1
O=C(c1ccc(N2CCC([NH2+]Cc3cccc4ccccc34)CC2)cc1)N1CCC[C@@H](O)C1 c1ccc2c(cccc2c1)C[*:1] O=C(c1ccc(cc1)N1CCC(CC1)[NH2+][*:1])N1CCC[C@@H](O)C1
O=C(c1ccc(N2CCC([NH2+]Cc3cccc4ccccc34)CC2)cc1)N1CCC[C@@H](O)C1 O=C(N1CCC[C@@H](O)C1)[*:1] c1ccc2c(cccc2c1)C[NH2+]C1CCN(CC1)c1ccc(cc1)[*:1]
O=C(c1ccc(N2CCC([NH2+]Cc3cccc4ccccc34)CC2)cc1)N1CCC[C@@H](O)C1 c1ccc2c(cccc2c1)[*:1] O=C(c1ccc(cc1)N1CCC(CC1)[NH2+]C[*:1])N1CCC[C@@H](O)C1
CC(=O)N[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)C[C@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@@H]1CN(Cc2ccc(cc2)-n2cccn2)C[C@@H]1[*:1]
CC(=O)N[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)C[C@H]1c1ccc(C)cc1 c1cnn(c1)[*:1] CC(=O)N[C@@H]1CN(Cc2ccc(cc2)[*:1])C[C@H]1c1ccc(C)cc1
CC(=O)N[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)C[C@H]1c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H]1CN(Cc2ccc(cc2)-n2cccn2)C[C@H]1[*:1]
Cc1ccc(-n2cnnc2SCN2C(=O)c3ccccc3C2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1c2ccccc2C(=O)N1CSc1nncn1[*:1]
O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 c1ccc(cc1)[*:1] O=C([C@@H]1CCCN1C(=O)C[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CCc2ccc(cc21)[*:1]
O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 c1ccc(cc1)C[*:1] O=C([C@@H]1CCCN1C(=O)[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
C[C@H](Nc1ccc(F)cc1Br)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H](Nc1ccc(F)cc1Br)[C@@H](C)[*:1]
C/C(CC(C)C)=N\n1c(C)cc(C)c(C#N)c1=O CC(C)[*:1] C/C(C[*:1])=N\n1c(C)cc(C)c(C#N)c1=O
C/C(CC(C)C)=N\n1c(C)cc(C)c(C#N)c1=O CC(C)C[*:1] CC(=Nn1c(C)cc(C)c(C#N)c1=O)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)C[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)C[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)C[C@H](C)C(C)C CC(C)[C@@H](C)C[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)C[C@H](C)C(C)C CC(C)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)C[C@H](C)[*:1]
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H](CCSC)NC(N)=O)C1 CSCC[*:1] CO[C@H]1C[C@@H](C(=O)[O-])N(C1)C(=O)[C@@H](NC(N)=O)[*:1]
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H](CCSC)NC(N)=O)C1 CSC[*:1] CO[C@H]1C[C@@H](C(=O)[O-])N(C1)C(=O)[C@@H](C[*:1])NC(N)=O
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H](CCSC)NC(N)=O)C1 O=C([O-])[*:1] CO[C@H]1C[C@@H](N(C1)C(=O)[C@@H](CCSC)NC(N)=O)[*:1]
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H](CCSC)NC(N)=O)C1 NC(=O)N[*:1] CO[C@H]1C[C@@H](C(=O)[O-])N(C1)C(=O)[C@@H](CCSC)[*:1]
O=C(CCNC(=O)c1ccc(F)cc1)NC[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] O=C(CCNC(=O)c1ccc(F)cc1)NC[*:1]
O=C(CCNC(=O)c1ccc(F)cc1)NC[C@@H]1CCCCO1 C1CC[C@@H](C[*:1])OC1 O=C(CCNC(=O)c1ccc(F)cc1)N[*:1]
O=C(CCNC(=O)c1ccc(F)cc1)NC[C@@H]1CCCCO1 Fc1ccc(cc1)[*:1] O=C(CCNC(=O)[*:1])NC[C@@H]1CCCCO1
CC1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1 Clc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1cc2c(nn(C)c2s1)[*:1]
Cc1c(C(=O)O[C@@H](C)[C@H]2CCOC2)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(nnn1[*:1])C(=O)O[C@@H](C)[C@H]1CCOC1
CCc1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c(C(=O)OC)c1 COC(=O)[*:1] CCc1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c(c1)[*:1]
O=C(CCc1cccc(F)c1)Oc1ccc2c(c1)OCO2 Fc1cccc(c1)[*:1] O=C(CC[*:1])Oc1ccc2OCOc2c1
Cn1nc(-c2ccccc2)c2c1CCN(Cc1ccc3c(c1)OCO3)C2 c1ccc(cc1)[*:1] Cn1nc(c2CN(CCc21)Cc1ccc2OCOc2c1)[*:1]
O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(-n2cncn2)nc1 c1ncn(n1)[*:1] O=C(Cc1ccc2OCCc2c1)Nc1ccc(nc1)[*:1]
COCCN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1=O COCC[*:1] O=C1CN(CCN1[*:1])S(=O)(=O)c1cccc(Br)c1
COCCN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])S(=O)(=O)c1cccc(Br)c1
COCCN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1=O Brc1cccc(c1)[*:1] COCCN1CCN(CC1=O)S(=O)(=O)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)CNC(=O)c1ccc(cc1)C(C)(C)C
Cc1ccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)CNC(=O)c1ccc(cc1)[*:1]
COc1cccc([C@H]2C[C@H]2C(=O)NCCCc2n[nH]c(=O)[nH]2)c1 O=c1[nH]nc(C[*:1])[nH]1 COc1cccc(c1)[C@H]1C[C@H]1C(=O)NCC[*:1]
COc1cccc([C@H]2C[C@H]2C(=O)NCCCc2n[nH]c(=O)[nH]2)c1 O=c1[nH]nc([nH]1)[*:1] COc1cccc(c1)[C@H]1C[C@H]1C(=O)NCCC[*:1]
CSC[C@@H](C)C(=O)N1CCN(CC2CC2)c2ccccc21 C1CC1C[*:1] CSC[C@@H](C)C(=O)N1CCN(c2ccccc21)[*:1]
CSC[C@@H](C)C(=O)N1CCN(CC2CC2)c2ccccc21 CSC[*:1] C[C@@H](C(=O)N1CCN(CC2CC2)c2ccccc21)[*:1]
CSC[C@@H](C)C(=O)N1CCN(CC2CC2)c2ccccc21 C1CC1[*:1] CSC[C@@H](C)C(=O)N1CCN(C[*:1])c2ccccc21
C[C@@H](NC(=O)c1cc(F)ccc1O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)c1cc(F)ccc1O)[*:1]
N/C(=N/OCc1c(Cl)cccc1Cl)c1cccs1 c1csc(c1)[*:1] N/C(=N/OCc1c(Cl)cccc1Cl)[*:1]
CC[C@@H](C)NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2nccnc21 CC[C@@H](C)NC(=O)C[*:1] O=c1c2nccnc2n(c(=O)n1Cc1ccccc1Cl)[*:1]
CC[C@@H](C)NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2nccnc21 CC[C@@H](C)[*:1] O=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2nccnc21)N[*:1]
CC[C@@H](C)NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2nccnc21 Clc1ccccc1[*:1] CC[C@@H](C)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2nccnc21
CC[C@@H](C)NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2nccnc21 Clc1ccccc1C[*:1] CC[C@@H](C)NC(=O)Cn1c(=O)n(c(=O)c2nccnc21)[*:1]
CC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCC(C)C)CC1 CC(C)CNC(=O)[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1ccccc1[*:1]
CC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCC(C)C)CC1 CC(C)C[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1ccccc1C(=O)N[*:1]
CC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCC(C)C)CC1 CC(C)[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1ccccc1C(=O)NC[*:1]
C[NH+](C)CCn1nc([C@H]2CCN(C(=O)Cc3ccccc3F)C2)c2nccnc21 Fc1ccccc1[*:1] C[NH+](C)CCn1nc(c2nccnc21)[C@H]1CCN(C1)C(=O)C[*:1]
C[NH+](C)CCn1nc([C@H]2CCN(C(=O)Cc3ccccc3F)C2)c2nccnc21 Fc1ccccc1C[*:1] C[NH+](C)CCn1nc(c2nccnc21)[C@H]1CCN(C1)C(=O)[*:1]
COc1ccccc1[C@@H](C#N)NC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](C#N)NC(=O)[C@@H](C)S[*:1]
COc1ccccc1[C@@H](C#N)NC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)S[*:1] COc1ccccc1[C@@H](C#N)NC(=O)[C@@H](C)[*:1]
Cc1cc(N2CC[NH2+]CC23CCCCC3)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CC[NH2+]CC12CCCCC2
COC(C)(C)C[C@@H](C)NC(=O)CSc1nnnn1C COC(C)(C)[*:1] C[C@H](C[*:1])NC(=O)CSc1nnnn1C
COC(C)(C)C[C@@H](C)NC(=O)CSc1nnnn1C Cn1nnnc1[*:1] COC(C)(C)C[C@@H](C)NC(=O)CS[*:1]
COC(C)(C)C[C@@H](C)NC(=O)CSc1nnnn1C COC(C)(C)C[*:1] C[C@@H](NC(=O)CSc1nnnn1C)[*:1]
CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 Clc1ccc(cc1Cl)[*:1] CC(=O)N1CCc2cc(ccc21)N[C@H](C)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NC2CCCC2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)S(=O)(=O)[C@H](C#N)c1nc2ccccc2nc1N[*:1]
Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NC2CCCC2)cc1 Cc1ccc(cc1)[*:1] N#C[C@H](c1nc2ccccc2nc1NC1CCCC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NC2CCCC2)cc1 C1CCC(C1)N[*:1] Cc1ccc(cc1)S(=O)(=O)[C@H](C#N)c1nc2ccccc2nc1[*:1]
C[C@@]([NH2+]CC(=O)NC1CCOCC1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@]([NH2+]CC(=O)NC1CCOCC1)(C(F)(F)F)[*:1]
C[C@@]([NH2+]CC(=O)NC1CCOCC1)(C(=O)[O-])C(F)(F)F C1CC(CCO1)[*:1] C[C@@]([NH2+]CC(=O)N[*:1])(C(=O)[O-])C(F)(F)F
C[C@@]([NH2+]CC(=O)NC1CCOCC1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@]([NH2+]CC(=O)NC1CCOCC1)(C(=O)[O-])[*:1]
CN(C)c1cc(C(F)(F)F)nc(N2CCN(C)c3ccccc3C2)n1 FC(F)(F)[*:1] CN(C)c1cc(nc(n1)N1CCN(C)c2ccccc2C1)[*:1]
CN(C)c1cc(C(F)(F)F)nc(N2CCN(C)c3ccccc3C2)n1 CN(C)[*:1] CN1CCN(Cc2ccccc21)c1nc(cc(n1)[*:1])C(F)(F)F
C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1c(Cl)nc2sccn12 C[C@H]1CCCC[C@H]1[*:1] O=C(/C=C/c1c(Cl)nc2sccn12)N[*:1]
Cc1ccc(NC(=O)NCCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(NCCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N[*:1]
COC[C@](C)(C#N)NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 COC[*:1] C[C@](C#N)(NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)[*:1]
Cc1nn(C)c(C)c1OCC(=O)N(C1CC1)[C@H](C)c1ccccn1 C1CC1[*:1] Cc1nn(C)c(C)c1OCC(=O)N([C@H](C)c1ccccn1)[*:1]
Cc1nn(C)c(C)c1OCC(=O)N(C1CC1)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] Cc1nn(C)c(C)c1OCC(=O)N(C1CC1)[C@H](C)[*:1]
Cc1nn(C)c(C)c1OCC(=O)N(C1CC1)[C@H](C)c1ccccn1 C[C@H](c1ccccn1)[*:1] Cc1nn(C)c(C)c1OCC(=O)N(C1CC1)[*:1]
Cc1nn(C)c(C)c1OCC(=O)N(C1CC1)[C@H](C)c1ccccn1 Cc1nn(C)c(C)c1[*:1] C[C@H](c1ccccn1)N(C(=O)CO[*:1])C1CC1
CCC(CC)(NC(=O)c1c(C)noc1C)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)c1c(C)noc1C)[*:1]
Cc1nc(CC[NH2+][C@H](c2cccs2)C2CC2)cs1 Cc1nc(cs1)[*:1] c1csc(c1)[C@@H]([NH2+]CC[*:1])C1CC1
Cc1nc(CC[NH2+][C@H](c2cccs2)C2CC2)cs1 c1csc(c1)[*:1] Cc1nc(cs1)CC[NH2+][C@H](C1CC1)[*:1]
Cc1nc(CC[NH2+][C@H](c2cccs2)C2CC2)cs1 C1CC1[*:1] Cc1nc(cs1)CC[NH2+][C@H](c1cccs1)[*:1]
CC(C)c1cc(N2CCN(C(=O)c3ccoc3)CC2)nc(C(C)C)[nH+]1 c1cc(co1)[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N1CCN(CC1)C(=O)[*:1]
CC(C)c1cc(N2CCN(C(=O)c3ccoc3)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1cc(nc([nH+]1)[*:1])N1CCN(CC1)C(=O)c1ccoc1
CC(C)c1cc(N2CCN(C(=O)c3ccoc3)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1nc(cc([nH+]1)[*:1])N1CCN(CC1)C(=O)c1ccoc1
Cc1cccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)c1 Cc1cccc(c1)[*:1] Cc1ccccc1N1CCN(CC1)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)c1 Cc1ccccc1[*:1] Cc1cccc(c1)C(=O)N1CCC[C@@H](C1)N1CCN(CC1)[*:1]
C[NH2+][C@]1(C(=O)OC)CCC[C@@H](OCC(F)(F)F)C1 FC(F)(F)C[*:1] C[NH2+][C@@]1(CCC[C@H](C1)O[*:1])C(=O)OC
C[NH2+][C@]1(C(=O)OC)CCC[C@@H](OCC(F)(F)F)C1 COC(=O)[*:1] C[NH2+][C@@]1(CCC[C@H](C1)OCC(F)(F)F)[*:1]
C[NH2+][C@]1(C(=O)OC)CCC[C@@H](OCC(F)(F)F)C1 FC(F)(F)CO[*:1] C[NH2+][C@@]1(CCC[C@@H](C1)[*:1])C(=O)OC
C[NH2+][C@]1(C(=O)OC)CCC[C@@H](OCC(F)(F)F)C1 FC(F)(F)[*:1] C[NH2+][C@@]1(CCC[C@H](C1)OC[*:1])C(=O)OC
C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCCSCC1 Clc1ccccc1[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCCSCC1
Cc1ccc(OC(=O)c2c(-c3ccccc3)noc2C)c(Br)c1 c1ccc(cc1)[*:1] Cc1ccc(OC(=O)c2c(noc2C)[*:1])c(Br)c1
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)[C@@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](C[*:1])NC(=O)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)[C@@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)[C@@H](NC(=O)[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1)[*:1]
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)[C@@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CS[C@H](C(=O)N1)[*:1]
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)[C@@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)cc1 Cc1ccc(cc1)[*:1] O=C(N[C@H](CN1CCOCC1)[*:1])[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)[C@@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CS[C@H](C[*:1])C(=O)N1
CC(C)[C@H](CNC(=O)Nc1cc(Cl)ccc1N(C)C)N1CC[NH+](C)CC1 CN(C)[*:1] CC(C)[C@H](CNC(=O)Nc1cc(Cl)ccc1[*:1])N1CC[NH+](C)CC1
CC(C)[C@H](CNC(=O)Nc1cc(Cl)ccc1N(C)C)N1CC[NH+](C)CC1 CC(C)[*:1] CN(C)c1ccc(Cl)cc1NC(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1]
Cc1ccc(C(=O)CCC(=O)OCc2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])OCc1ccc2OCOc2c1
C[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](c1nccs1)C1CC1 Clc1ccccc1[*:1] C[C@@H](N(C)C(=O)N[C@@H](c1nccs1)C1CC1)[*:1]
C[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](c1nccs1)C1CC1 c1csc(n1)[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](C1CC1)[*:1]
C[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](c1nccs1)C1CC1 C1CC1[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](c1nccs1)[*:1]
CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 CCC[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1 CCCC[*:1] O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
Cc1ccc(CNC(=O)Nc2cncc3ccccc23)s1 Cc1ccc(s1)[*:1] O=C(NC[*:1])Nc1cncc2ccccc12
Cc1ccc(CNC(=O)Nc2cncc3ccccc23)s1 Cc1ccc(C[*:1])s1 O=C(Nc1cncc2ccccc12)N[*:1]
CNC(=O)c1cccc([C@H]2C[NH2+]CCN2C)c1 CNC(=O)[*:1] CN1CC[NH2+]C[C@@H]1c1cccc(c1)[*:1]
COC[C@@](C)(C[NH3+])N(C)Cc1cccc(C)n1 COC[*:1] Cc1cccc(CN(C)[C@@](C)(C[NH3+])[*:1])n1
CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2)c1=O CCC[*:1] O=C(Cn1c(=O)n(c(=O)c2ccccc21)[*:1])Nc1ccccc1
CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2)c1=O c1ccc(cc1)[*:1] CCCn1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
C=CCNc1nnc(SCc2ccc(Cl)s2)s1 C=CCN[*:1] Clc1ccc(CSc2nnc(s2)[*:1])s1
C=CCNc1nnc(SCc2ccc(Cl)s2)s1 C=CC[*:1] Clc1ccc(CSc2nnc(N[*:1])s2)s1
O=C1N[C@H](C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)CO1 c1ccc(cc1)[*:1] O=C1N[C@@H](CO1)C(=O)N1Cc2cnc(nc2C1)[*:1]
CC[NH2+]C[C@@H](Cc1cc(C)ccc1C)c1ccccc1Cl Clc1ccccc1[*:1] CC[NH2+]C[C@@H](Cc1cc(C)ccc1C)[*:1]
O=C(CCCNC(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(CCCNC(=O)[*:1])N[C@H]1CCCc2ccccc21
CCOC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(C)c(C)c1 CCOC(=O)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCc2ccccc2[C@@H]1C[*:1]
CCOC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CCOC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)[*:1]
CCOC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(C)c(C)c1 CCOC(=O)C[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCc2ccccc2[C@@H]1[*:1]
CCS[C@H]1CC[C@@]1([O-])CNC(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] CCS[C@H]1CC[C@@]1([O-])CNC(=O)NCc1cn(nn1)[*:1]
CCS[C@H]1CC[C@@]1([O-])CNC(=O)NCc1cn(-c2ccccc2)nn1 CCS[*:1] O=C(NCc1cn(nn1)-c1ccccc1)NC[C@]1([O-])CC[C@@H]1[*:1]
C[C@@H]([NH2+]CC1CCCCC1)c1c(F)cccc1F C1CCC(CC1)[*:1] C[C@@H]([NH2+]C[*:1])c1c(F)cccc1F
O=C(Cn1cccnc1=O)NCc1cccnc1-n1ccnc1 O=c1ncccn1[*:1] O=C(C[*:1])NCc1cccnc1-n1ccnc1
O=C(Cn1cccnc1=O)NCc1cccnc1-n1ccnc1 c1cn(cn1)[*:1] O=C(Cn1cccnc1=O)NCc1cccnc1[*:1]
Cc1cc(CC(=O)Nc2cccc(Cl)c2SC(F)F)no1 Cc1cc(C[*:1])no1 O=C(Nc1cccc(Cl)c1SC(F)F)[*:1]
Cc1cc(CC(=O)Nc2cccc(Cl)c2SC(F)F)no1 FC(F)[*:1] Cc1cc(CC(=O)Nc2cccc(Cl)c2S[*:1])no1
Cc1cc(CC(=O)Nc2cccc(Cl)c2SC(F)F)no1 FC(F)S[*:1] Cc1cc(CC(=O)Nc2cccc(Cl)c2[*:1])no1
Cc1cc(CC(=O)Nc2cccc(Cl)c2SC(F)F)no1 Cc1cc(no1)[*:1] O=C(C[*:1])Nc1cccc(Cl)c1SC(F)F
OCCc1cc([C@@H]2CC[NH2+]C2)ncn1 OCC[*:1] c1nc(cc(n1)[*:1])[C@@H]1CC[NH2+]C1
Cc1ccc(C(=O)NCc2ccccc2OCC(C)C)cc1S(N)(=O)=O CC(C)C[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)NCc1ccccc1O[*:1]
Cc1ccc(C(=O)NCc2ccccc2OCC(C)C)cc1S(N)(=O)=O CC(C)CO[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)NCc1ccccc1[*:1]
Cc1ccc(C(=O)NCc2ccccc2OCC(C)C)cc1S(N)(=O)=O CC(C)[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)NCc1ccccc1OC[*:1]
Cc1ccc(C(=O)NCc2ccccc2OCC(C)C)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)NCc1ccccc1OCC(C)C
O=C(N1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1 FC(F)(F)[*:1] O=C(N1CCN(CC1)c1cccc(c1)[*:1])C1(CC1)c1cc(on1)-c1ccc2OCOc2c1
O=C(N1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C(N1CCN(CC1)[*:1])C1(CC1)c1cc(on1)-c1ccc2OCOc2c1
O=C(N1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1 c1cc2OCOc2cc1[*:1] O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)C1(CC1)c1cc(on1)[*:1]
O=C1c2ccccc2C(=O)N1C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1C[C@H]1c2ccccc2CCN1S(=O)(=O)[*:1]
C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccco1 c1coc(c1)[*:1] C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)[*:1]
Cc1ccc(-n2nc(C)c(C(=O)Nc3ccccc3Cl)c2-n2cccc2)cc1 c1ccn(c1)[*:1] Cc1ccc(cc1)-n1nc(C)c(C(=O)Nc2ccccc2Cl)c1[*:1]
Cc1ccc(-n2nc(C)c(C(=O)Nc3ccccc3Cl)c2-n2cccc2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)-n1nc(C)c(C(=O)N[*:1])c1-n1cccc1
Cc1ccc(-n2nc(C)c(C(=O)Nc3ccccc3Cl)c2-n2cccc2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(c(c1C(=O)Nc1ccccc1Cl)-n1cccc1)[*:1]
CC1=C(C(=O)Nc2cccc(F)c2)C2(CCN(S(C)(=O)=O)CC2)OC1=O Fc1cccc(c1)[*:1] CC1C(=O)OC2(CCN(CC2)S(C)(=O)=O)C=1C(=O)N[*:1]
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)Cn2nnc(-c3ccc(Br)cc3)n2)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(NC(=O)Cn2nnc(n2)-c2ccc(Br)cc2)n(n1)[*:1]
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)Cn2nnc(-c3ccc(Br)cc3)n2)n1 Brc1ccc(cc1)[*:1] Cc1cc(C)nc(n1)-n1nc(C)cc1NC(=O)Cn1nnc(n1)[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(COc2ccccc2)cc1 C[C@H]1C[C@@H]1C(=O)N[*:1] c1ccc(cc1)OCc1ccc(cc1)[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)O[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(cc1)CO[*:1]
O=C(C[NH+]1CCCC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(C[NH+]1CCCC1)N1CCO[C@H](C1)[*:1]
C[C@@H]1Cc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2N1C(=O)C1CC1 C1CC1[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)[*:1])S(=O)(=O)NCCC1=CCCCC1
C[C@@H](SCc1ccon1)C(=O)N1CCC(Cc2ccccc2)CC1 c1cc(no1)[*:1] C[C@@H](SC[*:1])C(=O)N1CCC(CC1)Cc1ccccc1
C[C@@H](SCc1ccon1)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](SCc1ccon1)C(=O)N1CCC(CC1)[*:1]
C[C@@H](SCc1ccon1)C(=O)N1CCC(Cc2ccccc2)CC1 c1cc(C[*:1])no1 C[C@@H](S[*:1])C(=O)N1CCC(CC1)Cc1ccccc1
C[C@@H](SCc1ccon1)C(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](SCc1ccon1)C(=O)N1CCC(CC1)C[*:1]
Cc1ccc(OC(=O)c2cccc(N3NC(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1C Cc1ccc(cc1C)[*:1] O=C(O[*:1])c1cccc(c1)N1NC(=O)[C@@H]2CC=CC[C@H]2C1=O
COCC1CCN(C(=O)N[C@@H]2CCCC2(C)C)CC1 COC[*:1] CC1(C)CCC[C@H]1NC(=O)N1CCC(CC1)[*:1]
Cn1cc[nH+]c1[C@@H]1[C@@H](C(=O)[O-])CC(=O)N1CCc1ccccc1F Fc1ccccc1[*:1] Cn1cc[nH+]c1[C@@H]1[C@H](CC(=O)N1CC[*:1])C(=O)[O-]
Cn1cc[nH+]c1[C@@H]1[C@@H](C(=O)[O-])CC(=O)N1CCc1ccccc1F Fc1ccccc1C[*:1] Cn1cc[nH+]c1[C@@H]1[C@H](CC(=O)N1C[*:1])C(=O)[O-]
Cn1cc[nH+]c1[C@@H]1[C@@H](C(=O)[O-])CC(=O)N1CCc1ccccc1F O=C([O-])[*:1] Cn1cc[nH+]c1[C@@H]1[C@@H](CC(=O)N1CCc1ccccc1F)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)NCc1cc(C#N)ccc1F Cc1cccc(C)c1[*:1] N#Cc1ccc(F)c(c1)CNC(=O)NCC(=O)N[*:1]
O[C@H]1[C@H](Sc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O c1ccc(cc1)[*:1] O[C@H]1[C@@H](O[C@@H]2CO[C@@H](O[C@H]2[C@@H]1O)c1ccccc1)S[*:1]
O[C@H]1[C@H](Sc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O c1ccc(cc1)S[*:1] O[C@H]1[C@@H]2O[C@H](OC[C@H]2O[C@@H]([C@@H]1O)[*:1])c1ccccc1
O[C@H]1[C@H](Sc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O c1ccc(cc1)[*:1] O[C@H]1[C@@H](O[C@@H]2CO[C@H](O[C@H]2[C@@H]1O)[*:1])Sc1ccccc1
CC[C@@H](C(=O)Nc1ccc(C)c(N2CCOC2=O)c1)c1ccccc1 O=C1OCCN1[*:1] CC[C@@H](C(=O)Nc1ccc(C)c(c1)[*:1])c1ccccc1
CC[C@@H](C(=O)Nc1ccc(C)c(N2CCOC2=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccc(C)c(c1)N1CCOC1=O)[*:1]
C=C(C)COc1ccccc1C[NH2+]C(C)C C=C(C)CO[*:1] CC(C)[NH2+]Cc1ccccc1[*:1]
C=C(C)COc1ccccc1C[NH2+]C(C)C C=C(C)C[*:1] CC(C)[NH2+]Cc1ccccc1O[*:1]
C=C(C)COc1ccccc1C[NH2+]C(C)C CC(C)[*:1] C=C(C)COc1ccccc1C[NH2+][*:1]
C=C(C)COc1ccccc1C[NH2+]C(C)C C=C(C)[*:1] CC(C)[NH2+]Cc1ccccc1OC[*:1]
O=c1cc(CSCc2coc(-c3ccc(F)cc3)n2)nc2sccn12 Fc1ccc(cc1)[*:1] O=c1cc(CSCc2coc(n2)[*:1])nc2sccn12
O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] O=C(NCc1ccc2OCOc2c1)[C@H]1CCN(C1=O)[*:1]
CN(C1CCCC1)[C@@H](C[NH3+])Cc1ccccc1 C1CCC(C1)[*:1] CN([C@@H](C[NH3+])Cc1ccccc1)[*:1]
CN(CCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)S(=O)(=O)[*:1]
O=C(c1ccc(Cn2cncn2)cc1)N1CCSC1 c1ncn(n1)[*:1] O=C(c1ccc(cc1)C[*:1])N1CCSC1
O=C(c1ccc(Cn2cncn2)cc1)N1CCSC1 c1ncn(C[*:1])n1 O=C(c1ccc(cc1)[*:1])N1CCSC1
COc1cc(Cl)ccc1C(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(Cl)ccc1C(=O)N[C@@H](C)[*:1]
CC[C@](C)(O)CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 FC(F)(F)C[*:1] CC[C@](C)(O)CNC(=O)Nc1ccc(O[*:1])c(C#N)c1
CC[C@](C)(O)CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 FC(F)(F)[*:1] CC[C@](C)(O)CNC(=O)Nc1ccc(OC[*:1])c(C#N)c1
CC[C@](C)(O)CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 FC(F)(F)CO[*:1] CC[C@](C)(O)CNC(=O)Nc1ccc(c(C#N)c1)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Oc1ccc(cc1)NC(=O)c1ccco1
C[C@@H](NC(=O)c1ccccc1)C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 c1coc(c1)[*:1] C[C@@H](NC(=O)c1ccccc1)C(=O)Oc1ccc(cc1)NC(=O)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccco1 C[C@@H](NC(=O)c1ccccc1)C(=O)Oc1ccc(cc1)[*:1]
C[C@@H](NC(=O)c1ccccc1)C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 O=C(N[*:1])c1ccccc1 C[C@@H](C(=O)Oc1ccc(cc1)NC(=O)c1ccco1)[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 O=C(C[*:1])N1CCCCCC1 C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[*:1]
C[NH+]1CCCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 C1CCN(CC1)[*:1] C[NH+]1CCCN(CC1)C(=O)NCc1ccc([nH+]c1)[*:1]
CC(C)NC(=O)CSc1ccccc1C(=O)N1CC[C@H](C)c2ccccc21 CC(C)[*:1] C[C@H]1CCN(C(=O)c2ccccc2SCC(=O)N[*:1])c2ccccc21
CC(C)NC(=O)CSc1ccccc1C(=O)N1CC[C@H](C)c2ccccc21 CC(C)NC(=O)CS[*:1] C[C@H]1CCN(C(=O)c2ccccc2[*:1])c2ccccc21
CC(C)NC(=O)CSc1ccccc1C(=O)N1CC[C@H](C)c2ccccc21 CC(C)NC(=O)[*:1] C[C@H]1CCN(C(=O)c2ccccc2SC[*:1])c2ccccc21
CC(C)NC(=O)CSc1ccccc1C(=O)N1CC[C@H](C)c2ccccc21 CC(C)NC(=O)C[*:1] C[C@H]1CCN(C(=O)c2ccccc2S[*:1])c2ccccc21
Cc1nn(-c2ccccc2)c(C)c1[C@H]1NC(=O)c2cc(Cl)ccc2N1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1[C@H]1NC(=O)c2cc(Cl)ccc2N1)[*:1]
O=C(c1cccs1)N1CCC[C@H](c2nnc(Cc3ccc(F)cc3)o2)C1 Fc1ccc(cc1)C[*:1] O=C(c1cccs1)N1CCC[C@@H](C1)c1nnc(o1)[*:1]
O=C(c1cccs1)N1CCC[C@H](c2nnc(Cc3ccc(F)cc3)o2)C1 Fc1ccc(cc1)[*:1] O=C(c1cccs1)N1CCC[C@@H](C1)c1nnc(C[*:1])o1
O=C(c1cccs1)N1CCC[C@H](c2nnc(Cc3ccc(F)cc3)o2)C1 c1csc(c1)[*:1] O=C(N1CCC[C@@H](C1)c1nnc(Cc2ccc(F)cc2)o1)[*:1]
Cc1ccc(NC(=O)N2CCc3sccc3C2)s1 Cc1ccc(s1)[*:1] O=C(N[*:1])N1CCc2sccc2C1
O=C(Cc1csc(-c2ccoc2)n1)Oc1ccc(F)cc1 c1cc(co1)[*:1] O=C(Cc1csc(n1)[*:1])Oc1ccc(F)cc1
O=C(Cc1csc(-c2ccoc2)n1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1ccoc1)O[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)[NH3+] CC(C)[*:1] C[C@H]([NH3+])C(=O)Nc1ccnn1[*:1]
O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(C1)c1nccnc1O[*:1]
O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(C1)c1nccnc1[*:1]
O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1 Brc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nccnc1Oc1ccccc1
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCN(C(=O)C2CC2)CC1 FC(F)(F)c1ccccc1[*:1] CCN(CC(=O)N[*:1])C(=O)C1CCN(CC1)C(=O)C1CC1
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)C(=O)[*:1]
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCN(C(=O)C2CC2)CC1 FC(F)(F)[*:1] CCN(CC(=O)Nc1ccccc1[*:1])C(=O)C1CCN(CC1)C(=O)C1CC1
CC(C)C(=O)Nc1ccc(C(=O)[O-])cc1NC(=O)C(C)C O=C([O-])[*:1] CC(C)C(=O)Nc1ccc(cc1NC(=O)C(C)C)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)[O-])cc1NC(=O)C(C)C CC(C)[*:1] CC(C)C(=O)Nc1cc(ccc1NC(=O)[*:1])C(=O)[O-]
CC(C)C(=O)Nc1ccc(C(=O)[O-])cc1NC(=O)C(C)C CC(C)[*:1] CC(C)C(=O)Nc1ccc(cc1NC(=O)[*:1])C(=O)[O-]
CC(C)C(=O)Nc1ccc(C(=O)[O-])cc1NC(=O)C(C)C CC(C)C(=O)N[*:1] CC(C)C(=O)Nc1ccc(cc1[*:1])C(=O)[O-]
CC(C)C(=O)Nc1ccc(C(=O)[O-])cc1NC(=O)C(C)C CC(C)C(=O)N[*:1] CC(C)C(=O)Nc1cc(ccc1[*:1])C(=O)[O-]
CC(C)CNC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 CC(C)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(nc1)-n1cnc2ccccc21
CC(C)CNC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 CC(C)C[*:1] O=C(Nc1ccc(nc1)-n1cnc2ccccc21)C(=O)N[*:1]
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O NC(=O)CC[*:1] COc1ccccc1CN1C(=O)[C@@H]2[C@H](N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O)[*:1]
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O NC(=O)C[*:1] COc1ccccc1CN1C(=O)[C@@H]2[C@H](C[*:1])N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O NC(=O)[*:1] COc1ccccc1CN1C(=O)[C@@H]2[C@H](CC[*:1])N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O COc1ccccc1[*:1] Cc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(C[*:1])C(=O)[C@H]21
COc1ccccc1CN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O COc1ccccc1C[*:1] Cc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(C(=O)[C@H]21)[*:1]
CCCn1c(-c2ccco2)nc2cc(C(F)(F)F)ccc21 CCC[*:1] FC(F)(F)c1ccc2c(c1)nc(-c1ccco1)n2[*:1]
CCCn1c(-c2ccco2)nc2cc(C(F)(F)F)ccc21 FC(F)(F)[*:1] CCCn1c(nc2cc(ccc21)[*:1])-c1ccco1
CCCn1c(-c2ccco2)nc2cc(C(F)(F)F)ccc21 c1coc(c1)[*:1] CCCn1c(nc2cc(ccc21)C(F)(F)F)[*:1]
C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(Cl)cc1 O=C(N1CCCCC1)[*:1] C=CCn1c(nnc1-c1ccc(Cl)cc1)SC[*:1]
C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)N1CCCCC1
C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(Cl)cc1 C=CC[*:1] O=C(CSc1nnc(-c2ccc(Cl)cc2)n1[*:1])N1CCCCC1
CN(C1CC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F C1CC1[*:1] CN(S(=O)(=O)c1ccc(cc1F)[N-]S(C)(=O)=O)[*:1]
O=C([O-])[C@@H]1CS[C@@H](c2ncc(-c3cccc(Br)c3)s2)N1 O=C([O-])[*:1] Brc1cccc(c1)-c1cnc(s1)[C@H]1N[C@@H](CS1)[*:1]
NC(=O)[C@H]1CCN(C(=O)c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] NC(=O)[C@H]1CCN(C(=O)[*:1])c2ccccc21
NC(=O)[C@H]1CCN(C(=O)c2ccccc2)c2ccccc21 NC(=O)[*:1] O=C(c1ccccc1)N1CC[C@@H](c2ccccc21)[*:1]
Cc1nc([C@@H]2CCCN(C(=O)CCOC[C@@H]3CCCO3)C2)no1 C1CO[C@@H](C1)C[*:1] Cc1nc(no1)[C@@H]1CCCN(C1)C(=O)CCO[*:1]
Cc1nc([C@@H]2CCCN(C(=O)CCOC[C@@H]3CCCO3)C2)no1 C1CO[C@@H](C1)CO[*:1] Cc1nc(no1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
Cc1nc([C@@H]2CCCN(C(=O)CCOC[C@@H]3CCCO3)C2)no1 C1CO[C@@H](C1)[*:1] Cc1nc(no1)[C@@H]1CCCN(C1)C(=O)CCOC[*:1]
Cc1nc([C@@H]2CCCN(C(=O)CCOC[C@@H]3CCCO3)C2)no1 Cc1nc(no1)[*:1] O=C(CCOC[C@@H]1CCCO1)N1CCC[C@H](C1)[*:1]
Cc1ccccc1S(=O)(=O)Cc1noc(C2CC2)n1 C1CC1[*:1] Cc1ccccc1S(=O)(=O)Cc1noc(n1)[*:1]
C1C[C@@H](C2CC2)C[C@H](N2CCOC3(CCOCC3)C2)C1 C1CC1[*:1] C1C[C@H](C[C@H](C1)[*:1])N1CCOC2(CCOCC2)C1
C[NH+](C)[C@@H](CNC(=O)N[C@@H](CO)c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)N[C@@H](CO)c1ccccc1)[*:1]
C[NH+](C)[C@@H](CNC(=O)N[C@@H](CO)c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)N[C@@H](CO)[*:1])c1cccc(F)c1
Cc1cccn2c(=O)c3c(nc12)CCN(C(=S)Nc1ccccc1)C3 c1ccc(cc1)[*:1] Cc1cccn2c(=O)c3CN(CCc3nc12)C(=S)N[*:1]
CC(C)OC(=O)NCc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C)cc1 CC(C)[*:1] C[C@H]1CCN(C(=O)Nc2ccc(cc2)CNC(=O)O[*:1])[C@@H](C)C1
CC(C)OC(=O)NCc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C)cc1 CC(C)OC(=O)NC[*:1] C[C@H]1CCN(C(=O)Nc2ccc(cc2)[*:1])[C@@H](C)C1
CC(C)OC(=O)NCc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C)cc1 CC(C)OC(=O)N[*:1] C[C@H]1CCN(C(=O)Nc2ccc(cc2)C[*:1])[C@@H](C)C1
Cc1ccc(N2CCOC2=O)cc1NC(=O)[C@H](C)Sc1ccccc1 c1ccc(cc1)S[*:1] Cc1ccc(cc1NC(=O)[C@H](C)[*:1])N1CCOC1=O
Cc1ccc(N2CCOC2=O)cc1NC(=O)[C@H](C)Sc1ccccc1 O=C1OCCN1[*:1] Cc1ccc(cc1NC(=O)[C@H](C)Sc1ccccc1)[*:1]
Cc1ccc(N2CCOC2=O)cc1NC(=O)[C@H](C)Sc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)S[*:1])N1CCOC1=O
Cc1ccc(C)c(OCCCC(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] Cc1ccc(C)c(c1)OCCCC(=O)N[*:1]
Cc1ccc(C)c(OCCCC(=O)NCc2ccco2)c1 c1coc(c1)[*:1] Cc1ccc(C)c(c1)OCCCC(=O)NC[*:1]
Oc1cccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] Oc1cccc(c1)C[NH+]1CCC(CC1)N[*:1]
Oc1cccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1 Oc1cccc(c1)[*:1] Fc1ccc(cc1)NC1CC[NH+](CC1)C[*:1]
Cc1ccc(O)c(NC(=O)CCS(=O)(=O)C2CCCC2)c1 C1CCC(C1)[*:1] Cc1ccc(O)c(c1)NC(=O)CCS(=O)(=O)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)[C@H]1CCCO1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)N[C@H](C)[C@H]1CCCO1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)[*:1]
CCN1CCO[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 c1csc(c1)[*:1] CCN1CCO[C@@H](C[NH2+]Cc2c[nH]nc2[*:1])C1
O=C(Cc1cnc(-c2ccccc2F)s1)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(Cc1cnc(s1)-c1ccccc1F)N[*:1]
O=C(Cc1cnc(-c2ccccc2F)s1)NCc1ccccn1 Fc1ccccc1[*:1] O=C(Cc1cnc(s1)[*:1])NCc1ccccn1
O=C(Cc1cnc(-c2ccccc2F)s1)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(Cc1cnc(s1)-c1ccccc1F)NC[*:1]
CCc1ccc(C[NH+]2CCN(c3c(C)n[nH]c3C)CC2)cc1 Cc1n[nH]c(C)c1[*:1] CCc1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
COCCc1noc(C[NH+](C)Cc2cccc3c2OCCCO3)n1 COCC[*:1] C[NH+](Cc1nc(no1)[*:1])Cc1cccc2OCCCOc12
COCCc1noc(C[NH+](C)Cc2cccc3c2OCCCO3)n1 COC[*:1] C[NH+](Cc1nc(C[*:1])no1)Cc1cccc2OCCCOc12
COC(=O)C1=C(NC(=O)c2ccc(C)c(C)c2)CCS1 COC(=O)[*:1] Cc1ccc(cc1C)C(=O)NC1CCSC=1[*:1]
CNC(=O)CN(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 CNC(=O)C[*:1] CN(C(=O)[C@@H]1C=C[C@@H]([NH3+])C1)[*:1]
CNC(=O)CN(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 CNC(=O)[*:1] CN(C[*:1])C(=O)[C@@H]1C=C[C@@H]([NH3+])C1
N#CCSc1ccnc2cc(Cl)ccc12 N#CCS[*:1] Clc1ccc2c(ccnc2c1)[*:1]
N#CCSc1ccnc2cc(Cl)ccc12 N#CC[*:1] Clc1ccc2c(ccnc2c1)S[*:1]
Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)N1N=CC[C@]1(O)C(F)(F)F O=[N+]([O-])[*:1] Cc1cc(nn1[C@H](C)C(=O)N1N=CC[C@]1(O)C(F)(F)F)[*:1]
Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)N1N=CC[C@]1(O)C(F)(F)F FC(F)(F)[*:1] Cc1cc(nn1[C@H](C)C(=O)N1N=CC[C@@]1(O)[*:1])[N+](=O)[O-]
O=C(N[C@@H]1C=C[C@@H](C(=O)[O-])C1)Oc1ccccc1 O=C([O-])[*:1] O=C(N[C@@H]1C=C[C@@H](C1)[*:1])Oc1ccccc1
O=C(N[C@@H]1C=C[C@@H](C(=O)[O-])C1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1C=C[C@H](C1)C(=O)[O-])O[*:1]
COc1ccc(CNC(=O)Cc2c(C)c3c(cc(C)c4c(C)c(C)oc43)oc2=O)cc1OC COc1ccc(cc1OC)[*:1] Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NC[*:1])c(C)c32)c1C
COc1ccc(CNC(=O)Cc2c(C)c3c(cc(C)c4c(C)c(C)oc43)oc2=O)cc1OC COc1ccc(cc1OC)C[*:1] Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N[*:1])c(C)c32)c1C
Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)ncn2)n1 Fc1ccc(c(F)c1)[*:1] Cc1cc(C)n(n1)-c1cc(ncn1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)ncn2)n1 Cc1cc(C)n(n1)[*:1] O=S(=O)(c1ccc(F)cc1F)N1CCN(CC1)c1cc(ncn1)[*:1]
CC(C)c1ccc2c(c1)CCCN2C(=O)CCCc1ccccn1 c1ccc(CC[*:1])nc1 CC(C)c1ccc2c(c1)CCCN2C(=O)C[*:1]
CC(C)c1ccc2c(c1)CCCN2C(=O)CCCc1ccccn1 c1ccc(nc1)[*:1] CC(C)c1ccc2c(c1)CCCN2C(=O)CCC[*:1]
CC(C)c1ccc2c(c1)CCCN2C(=O)CCCc1ccccn1 c1ccc(C[*:1])nc1 CC(C)c1ccc2c(c1)CCCN2C(=O)CC[*:1]
CC(C)c1ccc2c(c1)CCCN2C(=O)CCCc1ccccn1 CC(C)[*:1] O=C(CCCc1ccccn1)N1CCCc2cc(ccc21)[*:1]
C[C@@H](NC(=O)C[n+]1ccc(N(C)C)cc1)c1ccc2ccccc2c1 CN(C)[*:1] C[C@@H](NC(=O)C[n+]1ccc(cc1)[*:1])c1ccc2ccccc2c1
CC1CCN(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CC1 Cn1cc(cn1)C[*:1] CC1CCN(CC1)CN1C(=O)C[C@@H](C1=O)[*:1]
CC1CCN(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CC1 Cn1cc(cn1)[*:1] CC1CCN(CC1)CN1C(=O)C[C@@H](C[*:1])C1=O
CC1CCN(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CC1 CC1CCN(CC1)[*:1] Cn1cc(cn1)C[C@@H]1CC(=O)N(C[*:1])C1=O
CC(C)c1ccc([C@@H](O)[C@@H]2CCO[C@H]2C)cc1 CC(C)[*:1] C[C@@H]1OCC[C@H]1[C@H](O)c1ccc(cc1)[*:1]
Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 c1ccc(cc1)[*:1] Cn1cnnc1SCC(=O)Nc1cccc(c1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 Cn1cnnc1SCC(=O)N[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 Cn1cnnc1[*:1] O=C(CS[*:1])Nc1cccc(c1)C(=O)N1CCC[C@H](C1)C(=O)Nc1ccccc1
Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 Cn1cnnc1S[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)N1CCC[C@H](C1)C(=O)Nc1ccccc1
Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 Cn1cnnc1SC[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN(C1)C(=O)c1cccc(c1)NC(=O)[*:1]
Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 O=C(Nc1ccccc1)[*:1] Cn1cnnc1SCC(=O)Nc1cccc(c1)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CNS(=O)(=O)c1ccc(s1)[*:1]
COC(=O)[C@@]1(C)O[C@@]1(C)c1cc(OC)ccc1OC COC(=O)[*:1] COc1ccc(OC)c(c1)[C@]1(C)O[C@@]1(C)[*:1]
Nc1nc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)nc2ccccc12 Fc1ccc(cc1)[*:1] Nc1nc(C[NH+]2CCC(CC2)OC[*:1])nc2ccccc12
Nc1nc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)nc2ccccc12 Fc1ccc(cc1)CO[*:1] Nc1nc(C[NH+]2CCC(CC2)[*:1])nc2ccccc12
Nc1nc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)nc2ccccc12 Fc1ccc(cc1)C[*:1] Nc1nc(C[NH+]2CCC(CC2)O[*:1])nc2ccccc12
CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)c2ccccc23)nc1 CCc1ccc(nc1)[*:1] CN1C(=O)C2(CC[NH+](CC2)C[*:1])c2ccccc21
Cc1ncn(C[C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1C Cc1ncn(c1C)[*:1] C[C@H](C[*:1])[NH2+][C@H](C)c1ccc(cc1)NC(N)=O
Cc1ncn(C[C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1C NC(=O)N[*:1] Cc1ncn(C[C@@H](C)[NH2+][C@H](C)c2ccc(cc2)[*:1])c1C
C[C@H]([NH3+])CN(C)c1ccc(C(=O)N(C)C)cn1 CN(C)C(=O)[*:1] C[C@H]([NH3+])CN(C)c1ccc(cn1)[*:1]
C/C=C/c1ccc(OS(=O)(=O)c2ccccc2Br)c(OC)c1 Brc1ccccc1[*:1] C/C=C/c1ccc(OS(=O)(=O)[*:1])c(c1)OC
C/C=C/c1ccc(OS(=O)(=O)c2ccccc2Br)c(OC)c1 CC=C[*:1] COc1cc(ccc1OS(=O)(=O)c1ccccc1Br)[*:1]
CCc1ccc(O)c(NC(=O)c2ncoc2-c2ccco2)c1 c1coc(c1)[*:1] CCc1ccc(O)c(c1)NC(=O)c1ncoc1[*:1]
Cn1cnnc1[C@H]1CCCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)C1 c1ccc(cc1)[*:1] Cn1cnnc1[C@H]1CCCN(C1)C(=O)C[C@]1(CC(=O)N(C1=O)C1CC1)c1ccc(cc1)[*:1]
Cn1cnnc1[C@H]1CCCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)C1 c1ccc(cc1)-c1ccc(cc1)[*:1] Cn1cnnc1[C@H]1CCCN(C1)C(=O)C[C@]1(CC(=O)N(C1=O)C1CC1)[*:1]
Cn1cnnc1[C@H]1CCCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)C1 Cn1cnnc1[*:1] O=C(C[C@]1(CC(=O)N(C1=O)C1CC1)c1ccc(cc1)-c1ccccc1)N1CCC[C@@H](C1)[*:1]
Cn1cnnc1[C@H]1CCCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)C1 C1CC1[*:1] Cn1cnnc1[C@H]1CCCN(C1)C(=O)C[C@]1(CC(=O)N(C1=O)[*:1])c1ccc(cc1)-c1ccccc1
C[C@@H]1CCO[C@@]2(O1)C(=O)N(CN1CCN(c3ccc(F)cc3)CC1)c1ccccc12 Fc1ccc(cc1)[*:1] C[C@@H]1CCO[C@@]2(O1)C(=O)N(CN1CCN(CC1)[*:1])c1ccccc12
CC(C)NC(=O)CCc1csc(-c2ccccc2)n1 CC(C)NC(=O)[*:1] c1ccc(cc1)-c1nc(cs1)CC[*:1]
CC(C)NC(=O)CCc1csc(-c2ccccc2)n1 CC(C)[*:1] O=C(CCc1csc(n1)-c1ccccc1)N[*:1]
CC(C)NC(=O)CCc1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)NC(=O)CCc1csc(n1)[*:1]
C[C@H](CC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C)C[*:1]
CC(=O)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1 CC(=O)[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1cccc(c1)[*:1]
CC(=O)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1 CC(=O)[*:1] CC(=O)c1cccc(c1)NC(=O)COc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(Br)cc1CN1CCC(OC2CCCC2)CC1 C1CCC(C1)[*:1] O=[N+]([O-])c1ccc(Br)cc1CN1CCC(CC1)O[*:1]
O=[N+]([O-])c1ccc(Br)cc1CN1CCC(OC2CCCC2)CC1 C1CCC(C1)O[*:1] O=[N+]([O-])c1ccc(Br)cc1CN1CCC(CC1)[*:1]
O=[N+]([O-])c1ccc(Br)cc1CN1CCC(OC2CCCC2)CC1 O=[N+]([O-])[*:1] Brc1ccc(c(c1)CN1CCC(CC1)OC1CCCC1)[*:1]
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2csc(C(C)C)n2)cc1C CC(C)[*:1] Cc1ccc(cc1C)NC(=O)[C@@H](C)S(=O)(=O)Cc1csc(n1)[*:1]
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2csc(C(C)C)n2)cc1C Cc1ccc(cc1C)[*:1] CC(C)c1nc(cs1)CS(=O)(=O)[C@H](C)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2csc(C(C)C)n2)cc1C CC(C)c1nc(cs1)[*:1] Cc1ccc(cc1C)NC(=O)[C@@H](C)S(=O)(=O)C[*:1]
COc1ccccc1S(=O)(=O)CCN1CCCC1=O O=C1CCCN1[*:1] COc1ccccc1S(=O)(=O)CC[*:1]
Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4cccs4)CC3)c2cc1C c1csc(c1)[*:1] Cc1cc2oc(=O)cc(CN3CCN(CC3)S(=O)(=O)[*:1])c2cc1C
O=C(c1cn(Cc2ccccc2)c2ncccc12)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cn(Cc2ccccc2)c2ncccc12)N1CCN(CC1)C[*:1]
O=C(c1cn(Cc2ccccc2)c2ncccc12)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cn(C[*:1])c2ncccc12)N1CCN(CC1)Cc1ccccc1
O=C(c1cn(Cc2ccccc2)c2ncccc12)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cn(c2ncccc12)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(c1cn(Cc2ccccc2)c2ncccc12)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cn(Cc2ccccc2)c2ncccc12)N1CCN(CC1)[*:1]
Cc1cc([C@@H](C)NC(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H](NC(=O)N[C@H]1C=C[C@H](C1)C(=O)[O-])[*:1]
Cc1cc([C@@H](C)NC(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c(C)s1 O=C([O-])[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)N[C@H]1C=C[C@@H](C1)[*:1]
COc1ccc2[nH]cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c(=O)c2c1 O=[N+]([O-])[*:1] COc1ccc2[nH]cc(C(=O)Nc3ccc(cc3C)[*:1])c(=O)c2c1
Cc1ccc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 CS(=O)(=O)[*:1] Cc1ccc2nc(NC(=O)c3ccc(cc3)[*:1])sc2c1
COC[C@H](C)C[C@@H]1C[C@H](C)Nc2ccccc21 COC[C@H](C)[*:1] C[C@H]1C[C@@H](C[*:1])c2ccccc2N1
COC[C@H](C)C[C@@H]1C[C@H](C)Nc2ccccc21 COC[*:1] C[C@H]1C[C@@H](C[C@@H](C)[*:1])c2ccccc2N1
Cc1ccc(C)c([C@H](O)CN2CCn3c(nnc3C(F)(F)F)C2)c1 FC(F)(F)[*:1] Cc1ccc(C)c(c1)[C@H](O)CN1CCn2c(C1)nnc2[*:1]
Cc1ccc(C)c([C@H](O)CN2CCn3c(nnc3C(F)(F)F)C2)c1 Cc1ccc(C)c(c1)[*:1] O[C@H](CN1CCn2c(C1)nnc2C(F)(F)F)[*:1]
CC(C)(CNC(=O)c1nccn2ccnc12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(CNC(=O)c1nccn2ccnc12)[*:1]
CCC(=O)N[C@@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1 CCC(=O)N[*:1] O=C(c1cc2cccc(Cl)c2o1)N1CCC[C@H](C1)[*:1]
CC(C)[C@@H](c1ccccc1)[C@@H](C)[NH3+] CC(C)[*:1] C[C@@H]([NH3+])[C@H](c1ccccc1)[*:1]
O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1O Oc1ccccc1[*:1] O=C(Nc1ccc(cc1)C[NH+]1CCCC1)[*:1]
N#Cc1csc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 C1CN(CCO1)[*:1] N#Cc1csc(c1)C(=O)NC[C@@]1(CCSC1)[*:1]
N#Cc1csc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 N#Cc1csc(c1)[*:1] O=C(NC[C@@]1(CCSC1)N1CCOCC1)[*:1]
CCS(=O)(=O)CCNC(=O)C[C@H]1CCC[C@H](C)C1 CCS(=O)(=O)C[*:1] C[C@H]1CCC[C@H](CC(=O)NC[*:1])C1
CCS(=O)(=O)CCNC(=O)C[C@H]1CCC[C@H](C)C1 CCS(=O)(=O)[*:1] C[C@H]1CCC[C@H](CC(=O)NCC[*:1])C1
COc1cc[nH]/c(=N\S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 FC(F)(F)[*:1] COc1cc[nH]/c(c1)=N\S(=O)(=O)c1ccc(C)c(c1)[*:1]
COc1ccc([C@@H](C)CCNc2ncnc3nc(N)ccc23)cc1 COc1ccc(cc1)[*:1] C[C@@H](CCNc1ncnc2nc(N)ccc12)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C)c4ncccc34)cc12 c1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)Nc1ccc(C)c2ncccc12)[*:1]
O=C(NCc1cn2cc(Cl)ccc2n1)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] O=C(NCc1cn2cc(Cl)ccc2n1)c1cccc(c1)[*:1]
C=CCN(CC(=O)[O-])C(=O)NCC(C)C CC(C)[*:1] C=CCN(CC(=O)[O-])C(=O)NC[*:1]
C=CCN(CC(=O)[O-])C(=O)NCC(C)C O=C([O-])C[*:1] C=CCN(C(=O)NCC(C)C)[*:1]
C=CCN(CC(=O)[O-])C(=O)NCC(C)C C=CC[*:1] CC(C)CNC(=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])C(=O)NCC(C)C CC(C)C[*:1] C=CCN(CC(=O)[O-])C(=O)N[*:1]
C=CCN(CC(=O)[O-])C(=O)NCC(C)C O=C([O-])[*:1] C=CCN(C[*:1])C(=O)NCC(C)C
COc1cccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 CC(=O)[*:1] COc1cccc(c1)C(=O)[C@@H]1[C@@H](N2c3ccc(F)cc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12)[*:1]
COc1cccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 COc1cccc(c1)[*:1] CC(=O)[C@@H]1[C@@H](C(=O)[*:1])[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12
COc1cccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 COc1cccc(c1)C(=O)[*:1] CC(=O)[C@@H]1[C@H]([C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12)[*:1]
COCCN1CCN(C(=O)Nc2ccc(C(C)C)cc2C(C)C)CC1=O COC[*:1] CC(C)c1ccc(NC(=O)N2CCN(C[*:1])C(=O)C2)c(c1)C(C)C
COCCN1CCN(C(=O)Nc2ccc(C(C)C)cc2C(C)C)CC1=O COCC[*:1] CC(C)c1ccc(NC(=O)N2CCN(C(=O)C2)[*:1])c(c1)C(C)C
COCCN1CCN(C(=O)Nc2ccc(C(C)C)cc2C(C)C)CC1=O CC(C)[*:1] COCCN1CCN(CC1=O)C(=O)Nc1ccc(cc1C(C)C)[*:1]
COCCN1CCN(C(=O)Nc2ccc(C(C)C)cc2C(C)C)CC1=O CC(C)[*:1] COCCN1CCN(CC1=O)C(=O)Nc1ccc(cc1[*:1])C(C)C
C=CCCC(=O)Nc1cc(S(=O)(=O)CC)ccc1O CCS(=O)(=O)[*:1] C=CCCC(=O)Nc1cc(ccc1O)[*:1]
C=CCCC(=O)Nc1cc(S(=O)(=O)CC)ccc1O C=CC[*:1] CCS(=O)(=O)c1ccc(O)c(c1)NC(=O)C[*:1]
C=CCCC(=O)Nc1cc(S(=O)(=O)CC)ccc1O C=CCC[*:1] CCS(=O)(=O)c1ccc(O)c(c1)NC(=O)[*:1]
O=C1[NH+]=c2ccc(C(=O)NCc3ccc(-c4ccccc4)cc3)cc2=[NH+]C1=O c1ccc(cc1)[*:1] O=C1[NH+]=c2ccc(cc2=[NH+]C1=O)C(=O)NCc1ccc(cc1)[*:1]
OC[C@H](O)CSc1ccc(C[NH2+]C2CC2)cc1 C1CC1[*:1] OC[C@H](O)CSc1ccc(cc1)C[NH2+][*:1]
OC[C@H](O)CSc1ccc(C[NH2+]C2CC2)cc1 OC[C@H](O)C[*:1] c1cc(ccc1C[NH2+]C1CC1)S[*:1]
OC[C@H](O)CSc1ccc(C[NH2+]C2CC2)cc1 OC[C@H](O)[*:1] c1cc(ccc1C[NH2+]C1CC1)SC[*:1]
O=C(NCC[C@@H](O)c1cccs1)c1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(NCC[C@@H](O)c1cccs1)c1ccccc1[*:1]
O=C(NCC[C@@H](O)c1cccs1)c1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[C@@H](O)c1cccs1)c1ccccc1O[*:1]
O=C(NCC[C@@H](O)c1cccs1)c1ccccc1Oc1ccccc1 c1csc(c1)[*:1] O=C(NCC[C@@H](O)[*:1])c1ccccc1Oc1ccccc1
CCN1CCO[C@H](Cn2ccc3cccc(C(=O)[O-])c32)C1 O=C([O-])[*:1] CCN1CCO[C@@H](C1)Cn1ccc2cccc(c21)[*:1]
Cc1cccc(NC(=O)COc2ccc(C(F)(F)F)cc2)c1 Cc1cccc(c1)[*:1] O=C(COc1ccc(cc1)C(F)(F)F)N[*:1]
Cc1cccc(NC(=O)COc2ccc(C(F)(F)F)cc2)c1 FC(F)(F)[*:1] Cc1cccc(c1)NC(=O)COc1ccc(cc1)[*:1]
Cc1cc(C)c(S(=O)(=O)NCC(=O)NC(C)(C)C)c(C)c1 CC(C)(C)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NCC(=O)N[*:1]
Cc1cc(C)c(S(=O)(=O)NCC(=O)NC(C)(C)C)c(C)c1 CC(C)(C)NC(=O)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)NC[*:1]
CC(C)N(C(=O)COc1ccc(C=O)cc1Br)C1CCCC1 CC(C)[*:1] O=Cc1ccc(OCC(=O)N(C2CCCC2)[*:1])c(Br)c1
CC(C)N(C(=O)COc1ccc(C=O)cc1Br)C1CCCC1 C1CCC(C1)[*:1] CC(C)N(C(=O)COc1ccc(C=O)cc1Br)[*:1]
CCCN(C(=O)Nc1ncnn1C)[C@H]1C[C@@H](OCC)C1(C)C Cn1ncnc1[*:1] CCCN(C(=O)N[*:1])[C@H]1C[C@@H](OCC)C1(C)C
CCCN(C(=O)Nc1ncnn1C)[C@H]1C[C@@H](OCC)C1(C)C CCC[*:1] CCO[C@@H]1C[C@H](N(C(=O)Nc2ncnn2C)[*:1])C1(C)C
CCCN(C(=O)Nc1ncnn1C)[C@H]1C[C@@H](OCC)C1(C)C CCO[*:1] CCCN(C(=O)Nc1ncnn1C)[C@H]1C[C@@H](C1(C)C)[*:1]
C#CCNCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 C#CCNC[*:1] O=C(N1CCO[C@@H]2CCCC[C@@H]21)[*:1]
C#CCNCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 C#CC[*:1] O=C(CN[*:1])N1CCO[C@@H]2CCCC[C@@H]21
C#CCNCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 C#CCN[*:1] O=C(C[*:1])N1CCO[C@@H]2CCCC[C@@H]21
O=C(COc1ccc(Cl)cc1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC(CC1)[NH+]1CCN(CC1)Cc1ccccc1
O=C(COc1ccc(Cl)cc1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 c1ccc(cc1)C[*:1] O=C(COc1ccc(Cl)cc1)N1CCC(CC1)[NH+]1CCN(CC1)[*:1]
O=C(COc1ccc(Cl)cc1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)N1CCC(CC1)[NH+]1CCN(CC1)C[*:1]
O=C(COc1ccc(Cl)cc1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 Clc1ccc(cc1)OC[*:1] O=C(N1CCC(CC1)[NH+]1CCN(CC1)Cc1ccccc1)[*:1]
O=C(COc1ccc(Cl)cc1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC(CC1)[NH+]1CCN(CC1)Cc1ccccc1
COc1ccc([C@@H](C)NC(=O)c2cccc(Br)n2)c(OC)c1 Brc1cccc(n1)[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC(=O)[*:1]
O=C(C[C@@H]1CCOC1)Nc1ccnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C[C@@H]1CCOC1)Nc1ccnn1[*:1]
O=C(C[C@@H]1CCOC1)Nc1ccnn1-c1ccc(Cl)cc1 C1C[C@H](CO1)C[*:1] O=C(Nc1ccnn1-c1ccc(Cl)cc1)[*:1]
c1ccc(-c2nn(-c3ccccc3)cc2-c2cn(C[C@@H]3C[NH2+]CCO3)nn2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nn(cc1-c1cn(C[C@@H]2C[NH2+]CCO2)nn1)[*:1]
c1ccc(-c2nn(-c3ccccc3)cc2-c2cn(C[C@@H]3C[NH2+]CCO3)nn2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-n1cc(-c2cn(C[C@@H]3C[NH2+]CCO3)nn2)c(n1)[*:1]
COc1cc(C(=O)NCC(=O)Nc2ccccc2Br)cc2c1OCCO2 Brc1ccccc1[*:1] COc1cc(cc2OCCOc12)C(=O)NCC(=O)N[*:1]
Cc1cc(=O)n(CC(=O)N[C@H](C)CCc2ccccc2)c(-c2ccc(F)cc2)n1 c1ccc(cc1)CC[*:1] Cc1cc(=O)n(CC(=O)N[C@H](C)[*:1])c(n1)-c1ccc(F)cc1
Cc1cc(=O)n(CC(=O)N[C@H](C)CCc2ccccc2)c(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(=O)n(CC(=O)N[C@H](C)CCc2ccccc2)c(n1)[*:1]
Cc1cc(=O)n(CC(=O)N[C@H](C)CCc2ccccc2)c(-c2ccc(F)cc2)n1 c1ccc(cc1)[*:1] Cc1cc(=O)n(CC(=O)N[C@H](C)CC[*:1])c(n1)-c1ccc(F)cc1
Cc1cc(=O)n(CC(=O)N[C@H](C)CCc2ccccc2)c(-c2ccc(F)cc2)n1 c1ccc(cc1)C[*:1] Cc1cc(=O)n(CC(=O)N[C@H](C)C[*:1])c(n1)-c1ccc(F)cc1
C[C@H](C(=O)N1CCOCC1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 O=C(N1CCOCC1)[*:1] C[C@H](N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2)[*:1]
CCOc1cc2c(cc1[C@@H]1Nc3ccccc3C(=O)N1Cc1ccco1)O[C@@H](C)C2 c1coc(c1)C[*:1] CCOc1cc2C[C@H](C)Oc2cc1[C@@H]1Nc2ccccc2C(=O)N1[*:1]
CCOc1cc2c(cc1[C@@H]1Nc3ccccc3C(=O)N1Cc1ccco1)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1)[*:1]
CCOc1cc2c(cc1[C@@H]1Nc3ccccc3C(=O)N1Cc1ccco1)O[C@@H](C)C2 c1coc(c1)[*:1] CCOc1cc2C[C@H](C)Oc2cc1[C@@H]1Nc2ccccc2C(=O)N1C[*:1]
CCCCCNC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CCCCC[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)N[*:1]
CCCCCNC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCCCCNC(=O)Nc1ccc(C)c(c1)[*:1]
CCCCCNC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CCC[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)NCC[*:1]
CCCCCNC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 CCCC[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)NC[*:1]
CN(CC(=O)Nc1ccc([S@@](C)=O)cc1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CC(=O)Nc1ccc(cc1)[S@@](C)=O)c1ccccc1[*:1]
CCc1ccccc1NC(=O)CNC(=O)c1cc2ccc(OC)cc2[nH]1 CCc1ccccc1[*:1] COc1ccc2cc([nH]c2c1)C(=O)NCC(=O)N[*:1]
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@H](O)c2cccc(F)c2)CC1 O[C@H](c1cccc(F)c1)[*:1] C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC1)C(=O)C[*:1]
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@H](O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC1)C(=O)C[C@H](O)[*:1]
CC(C)COc1ncc(CNC(=O)c2cccc(F)n2)cc1Cl CC(C)C[*:1] O=C(NCc1cnc(O[*:1])c(Cl)c1)c1cccc(F)n1
CC(C)COc1ncc(CNC(=O)c2cccc(F)n2)cc1Cl CC(C)CO[*:1] O=C(NCc1cnc(c(Cl)c1)[*:1])c1cccc(F)n1
CC(C)COc1ncc(CNC(=O)c2cccc(F)n2)cc1Cl Fc1cccc(n1)[*:1] CC(C)COc1ncc(cc1Cl)CNC(=O)[*:1]
CC(C)COc1ncc(CNC(=O)c2cccc(F)n2)cc1Cl CC(C)[*:1] O=C(NCc1cnc(OC[*:1])c(Cl)c1)c1cccc(F)n1
CCC[C@H]1C[C@@]1(O)c1ccccc1Br CCC[*:1] O[C@]1(C[C@@H]1[*:1])c1ccccc1Br
CCOc1ccccc1/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 CCO[*:1] O=C(/C=C/c1ccccc1[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCC1
CCOc1ccccc1/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] CCOc1ccccc1/C=C/C(=O)Nc1cccc(c1)[*:1]
CCOc1ccccc1/C=C/C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 CCOc1ccccc1[*:1] O=C(C=C[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCCC1
COC[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(N)=O COC[*:1] NC(=O)[C@@H](NC(=O)c1cc(no1)-c1cccc(Cl)c1)[*:1]
COC[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(N)=O COC[C@H](C(N)=O)[*:1] O=C(N[*:1])c1cc(no1)-c1cccc(Cl)c1
COC[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)c1cc(no1)-c1cccc(Cl)c1)[*:1]
COC[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(N)=O Clc1cccc(c1)[*:1] COC[C@H](NC(=O)c1cc(no1)[*:1])C(N)=O
COc1ccc2c(c1)=[NH+][C@H](S[C@@H](C)C(=O)NC(=O)NC1CCCCC1)[NH+]=2 C1CCC(CC1)[*:1] COc1ccc2=[NH+][C@H]([NH+]=c2c1)S[C@@H](C)C(=O)NC(=O)N[*:1]
O=C(CC1CCN(C(=O)[C@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CC1CCN(CC1)C(=O)[C@H]1C=c2cc(Cl)ccc2=[NH+]1)NC[*:1]
O=C(CC1CCN(C(=O)[C@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CC1CCN(CC1)C(=O)[C@H]1C=c2cc(Cl)ccc2=[NH+]1)N[*:1]
C#CCN(CCSc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C#CCN(CCSc1ccc(C)c(C)c1)[*:1]
C#CCN(CCSc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 C#CC[*:1] Cc1ccc(cc1C)SCCN([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)C2CCCCCC2)o1 Cc1ccc(o1)[*:1] O=C(C1CCCCCC1)N1CCSC[C@H]1[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)C2CCCCCC2)o1 C1CCCC(CC1)[*:1] Cc1ccc(o1)[C@@H]1CSCCN1C(=O)[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)/C=C/c2c(F)cccc2F)cc1 CN(C)C(=O)C[*:1] O=C(/C=C/c1c(F)cccc1F)Nc1ccc(cc1)[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)/C=C/c2c(F)cccc2F)cc1 CN(C)C(=O)[*:1] O=C(/C=C/c1c(F)cccc1F)Nc1ccc(cc1)C[*:1]
CN(C)C(=O)Cc1ccc(NC(=O)/C=C/c2c(F)cccc2F)cc1 Fc1cccc(F)c1[*:1] CN(C)C(=O)Cc1ccc(cc1)NC(=O)C=C[*:1]
Cc1ccc(S(=O)(=O)N2CCN(Cc3nonc3C)CC2)cc1 Cc1nonc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1ccc(S(=O)(=O)N2CCN(Cc3nonc3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1nonc1CN1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(Cc3nonc3C)CC2)cc1 Cc1nonc1C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
CN(CCc1ccncc1)C(=O)Cc1ccc(Br)cc1 c1cc(ccn1)[*:1] CN(CC[*:1])C(=O)Cc1ccc(Br)cc1
Cc1csc([C@@H](C)NC(=O)C(=O)Nc2ccc(Br)c(C)c2)n1 Cc1csc(n1)[*:1] Cc1cc(ccc1Br)NC(=O)C(=O)N[C@H](C)[*:1]
CCC[C@H]1C[C@@H]1N/C(=[NH+]/CC)N1CCN(C2CC2)C(=O)C1 CCC[*:1] CC/[NH+]=C(/N[C@H]1C[C@@H]1[*:1])N1CCN(C(=O)C1)C1CC1
CCC[C@H]1C[C@@H]1N/C(=[NH+]/CC)N1CCN(C2CC2)C(=O)C1 C1CC1[*:1] CCC[C@H]1C[C@@H]1N/C(=[NH+]/CC)N1CCN(C(=O)C1)[*:1]
C[C@H]([NH2+][C@@H](C)C(C)(C)C)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] C[C@H]([NH2+][C@@H](C)C(C)(C)C)c1nc(cs1)[*:1]
C[C@H]([NH2+][C@@H](C)C(C)(C)C)c1nc(-c2ccncc2)cs1 CC(C)(C)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1nc(cs1)-c1ccncc1
O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1cccs1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])N1CCC[C@@H]1c1cccs1
O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1[*:1]
O=S(=O)(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=S(=O)(NCCN1CCO[C@@H](C1)[*:1])c1ccc(F)cc1
O=S(=O)(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(NCCN1CCO[C@H](C1)c1ccccc1)[*:1]
Cc1nc(C)c(CNCC(=O)NCc2ccco2)s1 c1coc(c1)[*:1] Cc1nc(C)c(CNCC(=O)NC[*:1])s1
Cc1nc(C)c(CNCC(=O)NCc2ccco2)s1 c1coc(c1)C[*:1] Cc1nc(C)c(CNCC(=O)N[*:1])s1
COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 COc1ccccc1[*:1] O=C(CSc1nncn1[*:1])Nc1ccc(cc1)C(F)(F)F
COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(N[C@H](c1nc2ccccc2[nH]1)[*:1])c1cccc(c1)-n1cnnn1
CC(C)[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)[*:1]
CC(C)[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1nc2ccccc2[nH]1 c1nnnn1[*:1] CC(C)[C@H](NC(=O)c1cccc(c1)[*:1])c1nc2ccccc2[nH]1
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1[nH]nc(C2CC2)c1Cl C1CO[C@H](C1)CO[*:1] O=C(Nc1cccc(c1)[*:1])c1[nH]nc(c1Cl)C1CC1
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1[nH]nc(C2CC2)c1Cl C1CO[C@H](C1)[*:1] O=C(Nc1cccc(c1)OC[*:1])c1[nH]nc(c1Cl)C1CC1
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] O=C(Nc1cccc(c1)OC[C@H]1CCCO1)c1[nH]nc(c1Cl)[*:1]
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1[nH]nc(C2CC2)c1Cl C1CO[C@H](C1)C[*:1] O=C(Nc1cccc(c1)O[*:1])c1[nH]nc(c1Cl)C1CC1
CCOCc1ccc(NC(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)cc1 CCOC[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H](CO)c1ccc(Cl)c(F)c1
CCOCc1ccc(NC(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)C[*:1])N[C@@H](CO)c1ccc(Cl)c(F)c1
CCOCc1ccc(NC(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)cc1 Fc1cc(ccc1Cl)[*:1] CCOCc1ccc(cc1)NC(=O)N[C@@H](CO)[*:1]
Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)c(C)n1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C2)[*:1])c(C)n1
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(ccc1C(=O)N[C@@H](C)c1noc(n1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 O=[N+]([O-])[*:1] Cc1cc(ccc1C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1)[*:1]
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(ccc1C(=O)N[C@@H](C)c1noc(C[*:1])n1)[N+](=O)[O-]
CC(=O)N1CCc2c(NCCCc3ccccc3)nc(N(C)C)[nH+]c2C1 c1ccc(cc1)[*:1] CC(=O)N1CCc2c(nc([nH+]c2C1)N(C)C)NCCC[*:1]
CC(=O)N1CCc2c(NCCCc3ccccc3)nc(N(C)C)[nH+]c2C1 c1ccc(cc1)C[*:1] CC(=O)N1CCc2c(nc([nH+]c2C1)N(C)C)NCC[*:1]
CC(=O)N1CCc2c(NCCCc3ccccc3)nc(N(C)C)[nH+]c2C1 c1ccc(cc1)CC[*:1] CC(=O)N1CCc2c(nc([nH+]c2C1)N(C)C)NC[*:1]
CC(=O)N1CCc2c(NCCCc3ccccc3)nc(N(C)C)[nH+]c2C1 CN(C)[*:1] CC(=O)N1CCc2c(nc([nH+]c2C1)[*:1])NCCCc1ccccc1
COCCCNc1ncnc(N2CCCCCC2)c1N COCC[*:1] Nc1c(ncnc1N1CCCCCC1)NC[*:1]
COCCCNc1ncnc(N2CCCCCC2)c1N COCCC[*:1] Nc1c(ncnc1N1CCCCCC1)N[*:1]
COCCCNc1ncnc(N2CCCCCC2)c1N COCCCN[*:1] Nc1c(ncnc1[*:1])N1CCCCCC1
COCCCNc1ncnc(N2CCCCCC2)c1N COC[*:1] Nc1c(ncnc1N1CCCCCC1)NCC[*:1]
Cc1ccc(Cl)c(-n2nnc(C(=O)Nc3ccccc3F)c2C)c1 Fc1ccccc1[*:1] Cc1ccc(Cl)c(c1)-n1nnc(C(=O)N[*:1])c1C
Cc1ccc(Cl)c(-n2nnc(C(=O)Nc3ccccc3F)c2C)c1 Cc1ccc(Cl)c(c1)[*:1] Cc1c(nnn1[*:1])C(=O)Nc1ccccc1F
CC(C)(C)N1C[C@@H](NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)CC1=O CC(C)(C)[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])N(CCO)[C@@H]1CCCc2ccccc21
CC(C)(C)N1C[C@@H](NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)CC1=O OCC[*:1] CC(C)(C)N1C[C@H](CC1=O)NC(=O)N([C@@H]1CCCc2ccccc21)[*:1]
S=C(Nc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 c1ccc(cc1)[*:1] S=C(N[*:1])N1CCC(CC1)c1nc2ccccc2[nH]1
O=C(CSc1nncs1)Nc1c(Br)cc([N+](=O)[O-])cc1Br c1nnc(SC[*:1])s1 O=C(Nc1c(Br)cc(cc1Br)[N+](=O)[O-])[*:1]
O=C(CSc1nncs1)Nc1c(Br)cc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] O=C(CSc1nncs1)Nc1c(Br)cc(cc1Br)[*:1]
O=C(CSc1nncs1)Nc1c(Br)cc([N+](=O)[O-])cc1Br c1nnc(S[*:1])s1 O=C(C[*:1])Nc1c(Br)cc(cc1Br)[N+](=O)[O-]
O=C(CSc1nncs1)Nc1c(Br)cc([N+](=O)[O-])cc1Br c1nnc(s1)[*:1] O=C(CS[*:1])Nc1c(Br)cc(cc1Br)[N+](=O)[O-]
Cc1cnn(CCC(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)c1 Cc1cnn(c1)[*:1] O=C(CC[*:1])N1C[C@H]2COc3ccccc3C[C@]2(C1)C(=O)[O-]
Cc1cnn(CCC(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)c1 Cc1cnn(c1)CC[*:1] O=C([O-])[C@@]12Cc3ccccc3OC[C@@H]1CN(C2)C(=O)[*:1]
Cc1cnn(CCC(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)c1 Cc1cnn(c1)C[*:1] O=C(C[*:1])N1C[C@H]2COc3ccccc3C[C@]2(C1)C(=O)[O-]
Cc1cnn(CCC(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)c1 O=C([O-])[*:1] Cc1cnn(c1)CCC(=O)N1C[C@H]2COc3ccccc3C[C@]2(C1)[*:1]
Cc1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1cc(Br)ccc1NC(=O)COc1ccc(cc1C)[*:1]
C=C(C)CCC[C@@H](O)C1CC1 C1CC1[*:1] C=C(C)CCC[C@@H](O)[*:1]
C=C(C)CCC[C@@H](O)C1CC1 C=C(C)[*:1] O[C@H](CCC[*:1])C1CC1
N#Cc1cccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 N#Cc1cccc(c1)[*:1] O=C(OCc1cnc(o1)-c1ccc(cc1)[N+](=O)[O-])[*:1]
N#Cc1cccc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 O=[N+]([O-])[*:1] N#Cc1cccc(c1)C(=O)OCc1cnc(o1)-c1ccc(cc1)[*:1]
Cc1ccc(C)c(-n2ncc3c2ncn2c(-c4ccccc4)nnc32)c1 Cc1ccc(C)c(c1)[*:1] c1ccc(cc1)-c1nnc2c3cnn(c3ncn12)[*:1]
Cc1ccc(C)c(-n2ncc3c2ncn2c(-c4ccccc4)nnc32)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)-n1ncc2c1ncn1c(nnc21)[*:1]
COc1ccc2cc3cc(C(=O)Nc4ccccc4OC)oc3nc2c1 COc1ccccc1[*:1] COc1ccc2cc3cc(oc3nc2c1)C(=O)N[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cccc2c1OCO2 C[S@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)c1cccc2OCOc21
CC1([C@](C)(O)[C@H]2CCCC[NH2+]2)CC1 CC1(CC1)[*:1] C[C@](O)([C@H]1CCCC[NH2+]1)[*:1]
CCCCNC(=O)CN1CCN(c2ccc(C)cc2)C1=O CCCCNC(=O)[*:1] Cc1ccc(cc1)N1CCN(C[*:1])C1=O
CCCCNC(=O)CN1CCN(c2ccc(C)cc2)C1=O CCC[*:1] Cc1ccc(cc1)N1CCN(CC(=O)NC[*:1])C1=O
CCCCNC(=O)CN1CCN(c2ccc(C)cc2)C1=O CCCC[*:1] Cc1ccc(cc1)N1CCN(CC(=O)N[*:1])C1=O
CCCCNC(=O)CN1CCN(c2ccc(C)cc2)C1=O Cc1ccc(cc1)[*:1] CCCCNC(=O)CN1CCN(C1=O)[*:1]
Cc1ccc(-c2ncccc2C(=O)Nc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] Cc1ccc(s1)-c1ncccc1C(=O)N[*:1]
Cc1ccc(-c2ncccc2C(=O)Nc2ccc(Cl)cc2)s1 Cc1ccc(s1)[*:1] O=C(Nc1ccc(Cl)cc1)c1cccnc1[*:1]
CCC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](SC2CCCC2)C1 C1CCC(C1)S[*:1] CCC[NH2+][C@]1(CC[C@@H](C1)[*:1])C(=O)[O-]
CCC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](SC2CCCC2)C1 CCC[*:1] O=C([O-])[C@@]1(CC[C@H](C1)SC1CCCC1)[NH2+][*:1]
CCC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](SC2CCCC2)C1 C1CCC(C1)[*:1] CCC[NH2+][C@]1(CC[C@H](C1)S[*:1])C(=O)[O-]
CCC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](SC2CCCC2)C1 O=C([O-])[*:1] CCC[NH2+][C@]1(CC[C@H](C1)SC1CCCC1)[*:1]
Cn1cc(C(=O)N2CCCCC2)cc(NC(=O)c2cccs2)c1=O O=C(N[*:1])c1cccs1 Cn1cc(cc(c1=O)[*:1])C(=O)N1CCCCC1
Cn1cc(C(=O)N2CCCCC2)cc(NC(=O)c2cccs2)c1=O O=C(N1CCCCC1)[*:1] Cn1cc(cc(NC(=O)c2cccs2)c1=O)[*:1]
Cn1cc(C(=O)N2CCCCC2)cc(NC(=O)c2cccs2)c1=O c1csc(c1)[*:1] Cn1cc(cc(NC(=O)[*:1])c1=O)C(=O)N1CCCCC1
CCc1nn(C)c(CC)c1C[NH2+]Cc1cn(C)nc1-c1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)c(CC)c1C[NH2+]Cc1cn(C)nc1[*:1]
CC(C)CN1C(=O)N[C@@](NC(=O)c2ccccc2F)(C(F)(F)F)C1=O CC(C)C[*:1] O=C(N[C@]1(NC(=O)N(C1=O)[*:1])C(F)(F)F)c1ccccc1F
CC(C)CN1C(=O)N[C@@](NC(=O)c2ccccc2F)(C(F)(F)F)C1=O CC(C)[*:1] O=C(N[C@]1(NC(=O)N(C[*:1])C1=O)C(F)(F)F)c1ccccc1F
CC(C)CN1C(=O)N[C@@](NC(=O)c2ccccc2F)(C(F)(F)F)C1=O Fc1ccccc1[*:1] CC(C)CN1C(=O)N[C@](NC(=O)[*:1])(C1=O)C(F)(F)F
CC(C)CN1C(=O)N[C@@](NC(=O)c2ccccc2F)(C(F)(F)F)C1=O FC(F)(F)[*:1] CC(C)CN1C(=O)N[C@@](NC(=O)c2ccccc2F)(C1=O)[*:1]
O=C(C1CCCCCC1)N1CCC[C@@H](Cn2cc(-c3cccnc3)nn2)C1 c1cncc(c1)[*:1] O=C(C1CCCCCC1)N1CCC[C@H](C1)Cn1cc(nn1)[*:1]
O=C(C1CCCCCC1)N1CCC[C@@H](Cn2cc(-c3cccnc3)nn2)C1 C1CCCC(CC1)[*:1] O=C(N1CCC[C@H](C1)Cn1cc(nn1)-c1cccnc1)[*:1]
CC(C)[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)N[*:1]
CC(C)[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)Nc1ccccc1 c1ccc(cc1)N[*:1] CC(C)[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)[*:1]
CC(C)[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)Nc1ccccc1 CC(C)[*:1] O=C(NC[C@H](Nc1ccccc1)[*:1])c1nc2ccccc2c(=O)[nH]1
CCOCCN(C)S(=O)(=O)Cc1ccc(F)c(Cl)c1 CCOC[*:1] CN(C[*:1])S(=O)(=O)Cc1ccc(F)c(Cl)c1
CCOCCN(C)S(=O)(=O)Cc1ccc(F)c(Cl)c1 CCOCC[*:1] CN(S(=O)(=O)Cc1ccc(F)c(Cl)c1)[*:1]
CCOCCN(C)S(=O)(=O)Cc1ccc(F)c(Cl)c1 CCO[*:1] CN(CC[*:1])S(=O)(=O)Cc1ccc(F)c(Cl)c1
CCc1noc(Cn2cnc3c4cc(OC)ccc4n(CC(=O)Nc4cc(C)cc(C)c4)c3c2=O)n1 CCc1noc(n1)[*:1] COc1ccc2c(c1)c1ncn(C[*:1])c(=O)c1n2CC(=O)Nc1cc(C)cc(C)c1
CCc1noc(Cn2cnc3c4cc(OC)ccc4n(CC(=O)Nc4cc(C)cc(C)c4)c3c2=O)n1 CCc1noc(C[*:1])n1 COc1ccc2c(c1)c1ncn(c(=O)c1n2CC(=O)Nc1cc(C)cc(C)c1)[*:1]
CCc1noc(Cn2cnc3c4cc(OC)ccc4n(CC(=O)Nc4cc(C)cc(C)c4)c3c2=O)n1 Cc1cc(C)cc(c1)[*:1] CCc1noc(Cn2cnc3c4cc(ccc4n(CC(=O)N[*:1])c3c2=O)OC)n1
CCc1noc(Cn2cnc3c4cc(OC)ccc4n(CC(=O)Nc4cc(C)cc(C)c4)c3c2=O)n1 Cc1cc(C)cc(c1)NC(=O)C[*:1] CCc1noc(Cn2cnc3c4cc(ccc4n(c3c2=O)[*:1])OC)n1
CCc1noc(Cn2cnc3c4cc(OC)ccc4n(CC(=O)Nc4cc(C)cc(C)c4)c3c2=O)n1 Cc1cc(C)cc(c1)NC(=O)[*:1] CCc1noc(Cn2cnc3c4cc(ccc4n(C[*:1])c3c2=O)OC)n1
CCOC(=O)c1c(NCc2cccs2)c2ccc(F)cc2[nH]c1=O c1csc(c1)CN[*:1] CCOC(=O)c1c(c2ccc(F)cc2[nH]c1=O)[*:1]
CCOC(=O)c1c(NCc2cccs2)c2ccc(F)cc2[nH]c1=O c1csc(c1)[*:1] CCOC(=O)c1c(NC[*:1])c2ccc(F)cc2[nH]c1=O
CCOC(=O)c1c(NCc2cccs2)c2ccc(F)cc2[nH]c1=O c1csc(c1)C[*:1] CCOC(=O)c1c(N[*:1])c2ccc(F)cc2[nH]c1=O
CCOC(=O)c1c(NCc2cccs2)c2ccc(F)cc2[nH]c1=O CCOC(=O)[*:1] O=c1[nH]c2cc(F)ccc2c(NCc2cccs2)c1[*:1]
O=C(COc1ccc(Cl)cc1Cl)NCCc1cccs1 c1csc(c1)C[*:1] O=C(COc1ccc(Cl)cc1Cl)NC[*:1]
O=C(COc1ccc(Cl)cc1Cl)NCCc1cccs1 c1csc(c1)[*:1] O=C(COc1ccc(Cl)cc1Cl)NCC[*:1]
Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c(-c2nc3ccccc3[nH]2)c1 N#Cc1ccccc1[*:1] Cc1ccc(NC(=O)[C@H](C)O[*:1])c(c1)-c1nc2ccccc2[nH]1
Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c(-c2nc3ccccc3[nH]2)c1 N#Cc1ccccc1O[*:1] Cc1ccc(NC(=O)[C@H](C)[*:1])c(c1)-c1nc2ccccc2[nH]1
Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c(-c2nc3ccccc3[nH]2)c1 c1ccc2[nH]c(nc2c1)[*:1] Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c(c1)[*:1]
CC(C)(C)[C@H]1OCC[C@H]1CNC(=O)C1CC=CC1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCO[C@@H]1[*:1])C1CC=CC1
CC(C)(CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 O=[N+]([O-])[*:1] CC(C)(CNC(=O)N1CCc2ccc(cc2C1)[*:1])c1ccccc1
CC(C)(CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)N1CCc2ccc(cc2C1)[N+](=O)[O-])[*:1]
CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)[*:1])NCc1cc(on1)-c1ccc(Cl)cc1
CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc1 Clc1ccc(cc1)[*:1] CC(C)S(=O)(=O)c1ccc(cc1)CC(=O)NCc1cc(on1)[*:1]
CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc1 CC(C)S(=O)(=O)[*:1] O=C(Cc1ccc(cc1)[*:1])NCc1cc(on1)-c1ccc(Cl)cc1
O=C(OC[C@H]1CCCCO1)c1cc2c(nc3sccn32)s1 C1CC[C@H](C[*:1])OC1 O=C(O[*:1])c1cc2c(nc3sccn32)s1
O=C(OC[C@H]1CCCCO1)c1cc2c(nc3sccn32)s1 C1CC[C@@H](OC1)[*:1] O=C(OC[*:1])c1cc2c(nc3sccn32)s1
COc1cc(C(=O)N(CCO)[C@H]2CCCc3ccccc32)nc(OC)n1 OCC[*:1] COc1cc(nc(n1)OC)C(=O)N([C@H]1CCCc2ccccc21)[*:1]
CC(C)(C)c1ncc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cn1 Fc1ccccc1C[*:1] CC(C)(C)c1ncc(cn1)NC(=O)[C@@H]1CS[C@H](C(=O)N1)[*:1]
CC(C)(C)c1ncc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cn1 CC(C)(C)[*:1] O=C(Nc1cnc(nc1)[*:1])[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1
CC(C)(C)c1ncc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cn1 Fc1ccccc1[*:1] CC(C)(C)c1ncc(cn1)NC(=O)[C@@H]1CS[C@H](C[*:1])C(=O)N1
C#CCn1/c(=N/C(=O)c2ccc(Br)o2)sc2cc(S(N)(=O)=O)ccc21 Brc1ccc(o1)[*:1] C#CCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(N)(=O)=O
C#CCn1/c(=N/C(=O)c2ccc(Br)o2)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] C#CCn1/c(=N/C(=O)c2ccc(Br)o2)sc2cc(ccc21)[*:1]
C#CCn1/c(=N/C(=O)c2ccc(Br)o2)sc2cc(S(N)(=O)=O)ccc21 C#CC[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(Br)o1)n2[*:1]
COc1ccc([C@H]2C[C@H](C(=O)NCc3ccccc3F)CN(C(=O)C3CCCC3)C2)cc1OC Fc1ccccc1[*:1] COc1ccc(cc1OC)[C@H]1C[C@@H](CN(C1)C(=O)C1CCCC1)C(=O)NC[*:1]
COc1ccc([C@H]2C[C@H](C(=O)NCc3ccccc3F)CN(C(=O)C3CCCC3)C2)cc1OC COc1ccc(cc1OC)[*:1] O=C(NCc1ccccc1F)[C@H]1C[C@@H](CN(C1)C(=O)C1CCCC1)[*:1]
COc1ccc([C@H]2C[C@H](C(=O)NCc3ccccc3F)CN(C(=O)C3CCCC3)C2)cc1OC O=C(NCc1ccccc1F)[*:1] COc1ccc(cc1OC)[C@H]1C[C@H](CN(C1)C(=O)C1CCCC1)[*:1]
COc1ccc([C@H]2C[C@H](C(=O)NCc3ccccc3F)CN(C(=O)C3CCCC3)C2)cc1OC C1CCC(C1)[*:1] COc1ccc(cc1OC)[C@H]1C[C@@H](CN(C1)C(=O)[*:1])C(=O)NCc1ccccc1F
COc1ccc([C@H]2C[C@H](C(=O)NCc3ccccc3F)CN(C(=O)C3CCCC3)C2)cc1OC Fc1ccccc1C[*:1] COc1ccc(cc1OC)[C@H]1C[C@@H](CN(C1)C(=O)C1CCCC1)C(=O)N[*:1]
Cc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)c(C)o1 c1ccc(cc1)OC[*:1] Cc1cc(C(=O)N2CCN(CC2)C[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)c(C)o1 c1ccc(cc1)O[*:1] Cc1cc(C(=O)N2CCN(CC2)CC[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)N2CCN(CCO[*:1])CC2)c(C)o1
Cc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(N1CCN(CCOc2ccccc2)CC1)[*:1]
CN(Cc1cccc(F)c1)c1ncnc2c1cnn2-c1ccccn1 c1ccc(nc1)[*:1] CN(Cc1cccc(F)c1)c1ncnc2c1cnn2[*:1]
CN(Cc1cccc(F)c1)c1ncnc2c1cnn2-c1ccccn1 Fc1cccc(c1)[*:1] CN(C[*:1])c1ncnc2c1cnn2-c1ccccn1
CN(Cc1cccc(F)c1)c1ncnc2c1cnn2-c1ccccn1 Fc1cccc(c1)C[*:1] CN(c1ncnc2c1cnn2-c1ccccn1)[*:1]
CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ccnn2)cc1 CNC(=O)[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])c1ccc(cc1)-n1ccnn1
CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(cc1)[*:1]
COCCn1ccc(NC(=O)Nc2cccc(NC(C)=O)c2)n1 COC[*:1] CC(=O)Nc1cccc(c1)NC(=O)Nc1ccn(C[*:1])n1
COCCn1ccc(NC(=O)Nc2cccc(NC(C)=O)c2)n1 COCC[*:1] CC(=O)Nc1cccc(c1)NC(=O)Nc1ccn(n1)[*:1]
COCCn1ccc(NC(=O)Nc2cccc(NC(C)=O)c2)n1 CC(=O)N[*:1] COCCn1ccc(n1)NC(=O)Nc1cccc(c1)[*:1]
CCCc1cc(=O)c2ccc(C)c(C)c2[nH]1 CCC[*:1] Cc1ccc2c(=O)cc([nH]c2c1C)[*:1]
COc1ccc(-c2nc(CN3CCN(c4cc(C)cc(C)c4)C(=O)C3)c(C)o2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc(C)cc(c1)N1CCN(CC1=O)Cc1nc(oc1C)[*:1]
COc1ccc(-c2nc(CN3CCN(c4cc(C)cc(C)c4)C(=O)C3)c(C)o2)cc1OC Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1OC)-c1nc(CN2CCN(C(=O)C2)[*:1])c(C)o1
COCCn1nc(C)c(Nc2nc(Cl)c(C(=O)OC)s2)c1C COC[*:1] COC(=O)c1sc(nc1Cl)Nc1c(C)nn(C[*:1])c1C
COCCn1nc(C)c(Nc2nc(Cl)c(C(=O)OC)s2)c1C COC(=O)[*:1] COCCn1nc(C)c(Nc2nc(Cl)c(s2)[*:1])c1C
COCCn1nc(C)c(Nc2nc(Cl)c(C(=O)OC)s2)c1C COCC[*:1] COC(=O)c1sc(nc1Cl)Nc1c(C)nn(c1C)[*:1]
CC(C)[C@H](C)SC1CCS(=O)(=O)CC1 CC(C)[*:1] C[C@H](SC1CCS(=O)(=O)CC1)[*:1]
O=C([O-])c1cn(C[C@@H]2CCS(=O)(=O)C2)c(=O)[nH]c1=O O=C([O-])[*:1] O=c1[nH]c(=O)n(cc1[*:1])C[C@@H]1CCS(=O)(=O)C1
O=C(NC1CCCC1)c1ccccc1OCCN1CCCS1(=O)=O O=S1(=O)CCCN1[*:1] O=C(NC1CCCC1)c1ccccc1OCC[*:1]
O=C(NC1CCCC1)c1ccccc1OCCN1CCCS1(=O)=O C1CCC(C1)[*:1] O=C(N[*:1])c1ccccc1OCCN1CCCS1(=O)=O
O=C(NC1CCCC1)c1ccccc1OCCN1CCCS1(=O)=O O=C(NC1CCCC1)[*:1] O=S1(=O)CCCN1CCOc1ccccc1[*:1]
O=C(NC1CCCC1)c1ccccc1OCCN1CCCS1(=O)=O O=S1(=O)CCCN1C[*:1] O=C(NC1CCCC1)c1ccccc1OC[*:1]
CC(=O)Nc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] CC(=O)Nc1cc(nn1[*:1])C(=O)N1CCN(CC1)S(C)(=O)=O
CC(=O)Nc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)nn1-c1ccccc1 CC(=O)N[*:1] CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(n(n1)-c1ccccc1)[*:1]
OC/C=C/c1c(F)c(F)c(F)c(F)c1F OCC=C[*:1] Fc1c(F)c(F)c(c(F)c1F)[*:1]
Cc1cccc(C[S@](=O)CCC(=O)Nc2ccc3c(c2)OCO3)c1 Cc1cccc(c1)[*:1] O=C(CC[S@@](=O)C[*:1])Nc1ccc2OCOc2c1
Cc1cccc(C[S@](=O)CCC(=O)Nc2ccc3c(c2)OCO3)c1 Cc1cccc(c1)C[*:1] O=C(CC[S@@](=O)[*:1])Nc1ccc2OCOc2c1
Cc1c(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc(C#N)n1C O=[N+]([O-])[*:1] Cc1c(/C=C/c2ccc3cccc(c3n2)[*:1])cc(C#N)n1C
Cc1cccc(N2CCN(C(=O)CCc3cnn(C)c3)CC2)c1 Cn1cc(cn1)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)CC[*:1]
Cc1cccc(N2CCN(C(=O)CCc3cnn(C)c3)CC2)c1 Cc1cccc(c1)[*:1] Cn1cc(cn1)CCC(=O)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(C(=O)CCc3cnn(C)c3)CC2)c1 Cn1cc(cn1)C[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)C[*:1]
CCOC[C@H](C)[NH2+]Cc1cc(F)cc(OC)c1 CCO[*:1] COc1cc(F)cc(c1)C[NH2+][C@@H](C)C[*:1]
CCOC[C@H](C)[NH2+]Cc1cc(F)cc(OC)c1 CCOC[*:1] COc1cc(F)cc(c1)C[NH2+][C@@H](C)[*:1]
CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C)C2)c1 CCO[*:1] CN1C[C@H](CC1=O)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(OC(C)(C)C(=O)N[C@H](C)[C@@H]2CCCO2)ccc1Cl C1CO[C@@H](C1)[*:1] Cc1cc(ccc1Cl)OC(C)(C)C(=O)N[C@H](C)[*:1]
CC(C)(C)OC(=O)N1CCC(CSc2cnc3cc([N+](=O)[O-])ccc3n2)CC1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC(CC1)CSc1cnc2cc(ccc2n1)[N+](=O)[O-]
CC(C)(C)OC(=O)N1CCC(CSc2cnc3cc([N+](=O)[O-])ccc3n2)CC1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N1CCC(CC1)CSc1cnc2cc(ccc2n1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1 Fc1cccc(c1)C[*:1] C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(=O)n(n1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1 Fc1cccc(c1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(=O)n(C[*:1])n1
CCN(C)[C@@]1(C[NH3+])CCCN(Cc2ccccc2)C1 c1ccc(cc1)[*:1] CCN(C)[C@@]1(C[NH3+])CCCN(C1)C[*:1]
CCN(C)[C@@]1(C[NH3+])CCCN(Cc2ccccc2)C1 CCN(C)[*:1] [NH3+]C[C@]1(CCCN(Cc2ccccc2)C1)[*:1]
C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(NC(=O)NC2CC2)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC[C@@](C)(O)[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(cc1)[*:1]
C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(cc1)NC(=O)N[*:1]
CCCCc1nn2c(=O)cc(N3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)[nH+]c2s1 CCC[*:1] O=c1cc([nH+]c2sc(C[*:1])nn12)N1CCN(CC1)c1c(Cl)cccc1[N+](=O)[O-]
CCCCc1nn2c(=O)cc(N3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)[nH+]c2s1 CCCC[*:1] O=c1cc([nH+]c2sc(nn12)[*:1])N1CCN(CC1)c1c(Cl)cccc1[N+](=O)[O-]
CCCCc1nn2c(=O)cc(N3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)[nH+]c2s1 O=[N+]([O-])[*:1] CCCCc1nn2c(=O)cc([nH+]c2s1)N1CCN(CC1)c1c(Cl)cccc1[*:1]
CCCCc1nn2c(=O)cc(N3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)[nH+]c2s1 O=[N+]([O-])c1cccc(Cl)c1[*:1] CCCCc1nn2c(=O)cc([nH+]c2s1)N1CCN(CC1)[*:1]
CC(=O)Nc1ccc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 CC(=O)N[*:1] C[C@H]1C(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C(=O)N1c1ccc(Cl)cc1
CC(=O)Nc1ccc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CN1C(=O)[C@H](C)N(C1=O)[*:1]
CCCn1ccc(C[NH2+][C@H](CO)C(C)C)c1 CC(C)[*:1] CCCn1ccc(c1)C[NH2+][C@H](CO)[*:1]
CCCn1ccc(C[NH2+][C@H](CO)C(C)C)c1 CCC[*:1] CC(C)[C@@H](CO)[NH2+]Cc1ccn(c1)[*:1]
COc1cc(F)c([N+](=O)[O-])c(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 CC(C)[C@@H](C)NC(=O)[*:1] COc1cc(F)c(c(c1)N1CCC(CC1)[*:1])[N+](=O)[O-]
COc1cc(F)c([N+](=O)[O-])c(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 CC(C)[C@@H](C)[*:1] COc1cc(F)c(c(c1)N1CCC(CC1)C(=O)N[*:1])[N+](=O)[O-]
COc1cc(F)c([N+](=O)[O-])c(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 O=[N+]([O-])[*:1] COc1cc(F)c(c(c1)N1CCC(CC1)C(=O)N[C@H](C)C(C)C)[*:1]
COc1cc(F)c([N+](=O)[O-])c(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 CC(C)[*:1] COc1cc(F)c(c(c1)N1CCC(CC1)C(=O)N[C@H](C)[*:1])[N+](=O)[O-]
Cc1cc(NC(=O)Nc2cccc(OC(F)F)c2C)no1 Cc1cc(no1)[*:1] Cc1c(cccc1OC(F)F)NC(=O)N[*:1]
Cc1cc(NC(=O)Nc2cccc(OC(F)F)c2C)no1 FC(F)[*:1] Cc1cc(no1)NC(=O)Nc1cccc(O[*:1])c1C
Cc1cc(NC(=O)Nc2cccc(OC(F)F)c2C)no1 FC(F)O[*:1] Cc1cc(no1)NC(=O)Nc1cccc(c1C)[*:1]
Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)c1C CN(C)C(=O)[*:1] Cc1cccc(NC(=O)C[NH+]2CCC(CC2)[*:1])c1C
CC(C)Cn1ncc(C(=O)NNC(=O)NC(C)C)c1C1CC1 C1CC1[*:1] CC(C)Cn1ncc(C(=O)NNC(=O)NC(C)C)c1[*:1]
CC(C)Cn1ncc(C(=O)NNC(=O)NC(C)C)c1C1CC1 CC(C)C[*:1] CC(C)NC(=O)NNC(=O)c1cnn(c1C1CC1)[*:1]
CC(C)Cn1ncc(C(=O)NNC(=O)NC(C)C)c1C1CC1 CC(C)[*:1] CC(C)NC(=O)NNC(=O)c1cnn(C[*:1])c1C1CC1
CC(C)Cn1ncc(C(=O)NNC(=O)NC(C)C)c1C1CC1 CC(C)[*:1] CC(C)Cn1ncc(C(=O)NNC(=O)N[*:1])c1C1CC1
COc1cc(C)c(/C=N/NC(=O)c2ccccc2O)cc1C(C)C CC(C)[*:1] COc1cc(C)c(/C=N/NC(=O)c2ccccc2O)cc1[*:1]
COc1cc(C)c(/C=N/NC(=O)c2ccccc2O)cc1C(C)C Oc1ccccc1[*:1] COc1cc(C)c(/C=N/NC(=O)[*:1])cc1C(C)C
Cc1ccccc1-n1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1)(C(F)(F)F)C(=O)N2 c1ccc(cc1)[*:1] Cc1ccccc1-n1c2NC(=O)[C@](NC(=O)[*:1])(c2c(=O)[nH]c1=O)C(F)(F)F
Cc1ccccc1-n1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1)(C(F)(F)F)C(=O)N2 Cc1ccccc1[*:1] O=C(N[C@]1(C(=O)Nc2c1c(=O)[nH]c(=O)n2[*:1])C(F)(F)F)c1ccccc1
Cc1ccccc1-n1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1)(C(F)(F)F)C(=O)N2 FC(F)(F)[*:1] Cc1ccccc1-n1c2NC(=O)[C@@](NC(=O)c3ccccc3)(c2c(=O)[nH]c1=O)[*:1]
Cc1ccccc1-n1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1)(C(F)(F)F)C(=O)N2 O=C(N[*:1])c1ccccc1 Cc1ccccc1-n1c2NC(=O)[C@](c2c(=O)[nH]c1=O)(C(F)(F)F)[*:1]
O=C(Cc1cccc(OCc2cccnc2)c1)N[C@H]1CCc2[nH]ncc2C1 c1cncc(c1)[*:1] O=C(Cc1cccc(c1)OC[*:1])N[C@H]1CCc2[nH]ncc2C1
O=C(Cc1cccc(OCc2cccnc2)c1)N[C@H]1CCc2[nH]ncc2C1 c1cncc(c1)CO[*:1] O=C(Cc1cccc(c1)[*:1])N[C@H]1CCc2[nH]ncc2C1
O=C(Cc1cccc(OCc2cccnc2)c1)N[C@H]1CCc2[nH]ncc2C1 c1cncc(c1)C[*:1] O=C(Cc1cccc(c1)O[*:1])N[C@H]1CCc2[nH]ncc2C1
CCCOc1ccc(/C=N/N2C(=S)[NH+]=N[C@@H]2c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CCCOc1ccc(/C=N/N2C(=S)[NH+]=N[C@H]2[*:1])cc1
CCCOc1ccc(/C=N/N2C(=S)[NH+]=N[C@@H]2c2cccc(C)c2)cc1 CCCO[*:1] Cc1cccc(c1)[C@H]1N=[NH+]C(=S)N1/N=C/c1ccc(cc1)[*:1]
CCCOc1ccc(/C=N/N2C(=S)[NH+]=N[C@@H]2c2cccc(C)c2)cc1 CCC[*:1] Cc1cccc(c1)[C@H]1N=[NH+]C(=S)N1/N=C/c1ccc(cc1)O[*:1]
CC(C)(C)c1nc(CN2CCN(C(=O)Nc3cccnc3)CC2)cs1 CC(C)(C)[*:1] O=C(Nc1cccnc1)N1CCN(CC1)Cc1csc(n1)[*:1]
CC(C)(C)c1nc(CN2CCN(C(=O)Nc3cccnc3)CC2)cs1 c1cncc(c1)[*:1] CC(C)(C)c1nc(cs1)CN1CCN(CC1)C(=O)N[*:1]
CCN1CCO[C@H](C(=O)Cc2ccc(C(C)C)cc2)C1 CC(C)[*:1] CCN1CCO[C@@H](C1)C(=O)Cc1ccc(cc1)[*:1]
Cc1cc(C)n2nc(C)c(C(=O)NCCCCC(C)C)c2n1 CC(C)C[*:1] Cc1cc(C)n2nc(C)c(C(=O)NCCC[*:1])c2n1
Cc1cc(C)n2nc(C)c(C(=O)NCCCCC(C)C)c2n1 CC(C)CCCC[*:1] Cc1cc(C)n2nc(C)c(C(=O)N[*:1])c2n1
Cc1cc(C)n2nc(C)c(C(=O)NCCCCC(C)C)c2n1 CC(C)[*:1] Cc1cc(C)n2nc(C)c(C(=O)NCCCC[*:1])c2n1
Cc1cc(C)n2nc(C)c(C(=O)NCCCCC(C)C)c2n1 CC(C)CC[*:1] Cc1cc(C)n2nc(C)c(C(=O)NCC[*:1])c2n1
Cc1cc(C)n2nc(C)c(C(=O)NCCCCC(C)C)c2n1 CC(C)CCC[*:1] Cc1cc(C)n2nc(C)c(C(=O)NC[*:1])c2n1
COCC(=O)Nc1ccc(C)c(C(N)=O)c1 COC[*:1] Cc1ccc(cc1C(N)=O)NC(=O)[*:1]
COCC(=O)Nc1ccc(C)c(C(N)=O)c1 NC(=O)[*:1] COCC(=O)Nc1ccc(C)c(c1)[*:1]
O=C(CCC1CCN(C(=O)c2c[nH]cn2)CC1)N1CCC(Cc2ccccc2)CC1 c1nc(c[nH]1)[*:1] O=C(CCC1CCN(CC1)C(=O)[*:1])N1CCC(CC1)Cc1ccccc1
O=C(CCC1CCN(C(=O)c2c[nH]cn2)CC1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCC1CCN(CC1)C(=O)c1c[nH]cn1)N1CCC(CC1)C[*:1]
O=C(CCC1CCN(C(=O)c2c[nH]cn2)CC1)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CCC1CCN(CC1)C(=O)c1c[nH]cn1)N1CCC(CC1)[*:1]
C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 C(=C[*:1])c1ccccc1 C[C@H](NC(=O)[*:1])C(=O)N1CCC[C@@H](C1)c1[nH]cc[nH+]1
C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C=C[*:1])C(=O)N1CCC[C@@H](C1)c1[nH]cc[nH+]1
COCCNC(=O)c1cnn2c1N[C@H](c1ccc(OC)cc1)C[C@H]2C(F)(F)F FC(F)(F)[*:1] COCCNC(=O)c1cnn2c1N[C@@H](C[C@@H]2[*:1])c1ccc(cc1)OC
COCCNC(=O)c1cnn2c1N[C@H](c1ccc(OC)cc1)C[C@H]2C(F)(F)F COCCNC(=O)[*:1] COc1ccc(cc1)[C@@H]1C[C@H](n2ncc(c2N1)[*:1])C(F)(F)F
COCCNC(=O)c1cnn2c1N[C@H](c1ccc(OC)cc1)C[C@H]2C(F)(F)F COC[*:1] COc1ccc(cc1)[C@@H]1C[C@H](n2ncc(C(=O)NC[*:1])c2N1)C(F)(F)F
COCCNC(=O)c1cnn2c1N[C@H](c1ccc(OC)cc1)C[C@H]2C(F)(F)F COCC[*:1] COc1ccc(cc1)[C@@H]1C[C@H](n2ncc(C(=O)N[*:1])c2N1)C(F)(F)F
COCCNC(=O)c1cnn2c1N[C@H](c1ccc(OC)cc1)C[C@H]2C(F)(F)F COc1ccc(cc1)[*:1] COCCNC(=O)c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)[*:1]
[NH3+]CCOCc1nc([C@H]2COc3ccccc3O2)no1 [NH3+]CCOC[*:1] c1ccc2O[C@H](COc2c1)c1noc(n1)[*:1]
Cn1cc[nH+]c1CN1CCc2[nH]c[nH+]c2[C@H]1c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] Cn1cc[nH+]c1CN1CCc2[nH]c[nH+]c2[C@@H]1[*:1]
Cc1c(NC(=O)[C@H](C)Oc2cccc(Br)c2)c(C(=O)N(C)C)nn1C Brc1cccc(c1)O[*:1] Cc1c(NC(=O)[C@H](C)[*:1])c(nn1C)C(=O)N(C)C
Cc1c(NC(=O)[C@H](C)Oc2cccc(Br)c2)c(C(=O)N(C)C)nn1C CN(C)C(=O)[*:1] Cc1c(NC(=O)[C@H](C)Oc2cccc(Br)c2)c(nn1C)[*:1]
Cc1c(NC(=O)[C@H](C)Oc2cccc(Br)c2)c(C(=O)N(C)C)nn1C Brc1cccc(c1)[*:1] Cc1c(NC(=O)[C@H](C)O[*:1])c(nn1C)C(=O)N(C)C
CC[NH2+][C@H](CC[C@H]1CCCCO1)c1ccc(F)c(Br)c1 C1CC[C@@H](OC1)[*:1] CC[NH2+][C@H](CC[*:1])c1ccc(F)c(Br)c1
COc1cc([N+](=O)[O-])c(C(=O)NCc2ccncc2)cc1SC O=[N+]([O-])[*:1] COc1cc(c(cc1SC)C(=O)NCc1ccncc1)[*:1]
COc1cc([N+](=O)[O-])c(C(=O)NCc2ccncc2)cc1SC c1cc(ccn1)[*:1] COc1cc(c(cc1SC)C(=O)NC[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])c(C(=O)NCc2ccncc2)cc1SC c1cc(ccn1)C[*:1] COc1cc(c(cc1SC)C(=O)N[*:1])[N+](=O)[O-]
CCC[NH+]1CCN(C[C@@](C)([NH3+])CC)CC1 CCC[*:1] CC[C@](C)([NH3+])CN1CC[NH+](CC1)[*:1]
CCC[NH+]1CCN(C[C@@](C)([NH3+])CC)CC1 CC[C@@](C)([NH3+])[*:1] CCC[NH+]1CCN(CC1)C[*:1]
CCn1c(S[C@H]2CC[C@](C#N)(NC(C)C)C2)n[nH]c1=O CC(C)[*:1] CCn1c(n[nH]c1=O)S[C@H]1CC[C@@](C#N)(C1)N[*:1]
CCn1c(S[C@H]2CC[C@](C#N)(NC(C)C)C2)n[nH]c1=O CC(C)N[*:1] CCn1c(n[nH]c1=O)S[C@H]1CC[C@](C#N)(C1)[*:1]
CC[NH+](CC)[C@@H]1N(c2ccccc2)N=C(c2ccccc2)NN1c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@H]1N(NC(=NN1[*:1])c1ccccc1)c1ccccc1
CC[NH+](CC)[C@@H]1N(c2ccccc2)N=C(c2ccccc2)NN1c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@@H]1N(N=C(NN1c1ccccc1)[*:1])c1ccccc1
CC[NH+](CC)[C@@H]1N(c2ccccc2)N=C(c2ccccc2)NN1c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@@H]1N(N=C(NN1[*:1])c1ccccc1)c1ccccc1
CO[C@@]1(C)C[C@H](NC(=O)C2(c3ccc(F)cc3F)CCOCC2)C1(C)C Fc1ccc(c(F)c1)[*:1] CO[C@@]1(C)C[C@H](NC(=O)C2(CCOCC2)[*:1])C1(C)C
CC(=O)c1csc(NC(=O)c2ccc3c(c2)OCCO3)n1 CC(=O)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc2OCCOc2c1
O=C(NCc1nncn1C1CC1)C1(c2cccc(F)c2)CCOCC1 Fc1cccc(c1)[*:1] O=C(NCc1nncn1C1CC1)C1(CCOCC1)[*:1]
O=C(NCc1nncn1C1CC1)C1(c2cccc(F)c2)CCOCC1 C1CC1[*:1] O=C(NCc1nncn1[*:1])C1(CCOCC1)c1cccc(F)c1
O=C(NCc1nncn1C1CC1)C1(c2cccc(F)c2)CCOCC1 c1nnc(n1C1CC1)[*:1] O=C(NC[*:1])C1(CCOCC1)c1cccc(F)c1
CSc1nsc(NC(=O)c2cnc(-c3cccs3)s2)n1 c1csc(c1)[*:1] CSc1nsc(n1)NC(=O)c1cnc(s1)[*:1]
C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1Br O=S(=O)(NC1CC1)[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1Br
C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1Br C1CC1[*:1] C[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1])c1ccccc1Br
C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1Br Brc1ccccc1[*:1] C[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl Clc1ccccc1[*:1] O=C(Nc1cccc(c1)C(F)(F)F)[C@H]1CCCN1S(=O)(=O)[*:1]
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl FC(F)(F)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl
C[C@H](NC(=O)CCn1ccccc1=O)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)CCn1ccccc1=O)[*:1]
C[C@@H](NC(=O)CN1CCN(c2ccccc2O)CC1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)CN1CCN(CC1)c1ccccc1O)[*:1]
C[C@@H](NC(=O)CN1CCN(c2ccccc2O)CC1)c1ccccc1Cl Oc1ccccc1[*:1] C[C@@H](NC(=O)CN1CCN(CC1)[*:1])c1ccccc1Cl
COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C)[S@](C)=O C[S@](=O)[*:1] COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C)[*:1]
Cc1ccc2cc(C[C@@H](C#N)C(=O)Nc3c(C)cccc3C)c(=O)[nH]c2c1 Cc1cccc(C)c1[*:1] Cc1ccc2cc(C[C@@H](C#N)C(=O)N[*:1])c(=O)[nH]c2c1
C[C@H]([NH3+])[C@H](c1ccsc1)N1CCO[C@H](C#N)C1 c1cc(cs1)[*:1] C[C@H]([NH3+])[C@H](N1CCO[C@H](C#N)C1)[*:1]
C#CCCN1CCN(C(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)CC1 C#CC[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(CC1)C[*:1])C(C)C
C#CCCN1CCN(C(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)CC1 C#CCC[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(CC1)[*:1])C(C)C
C#CCCN1CCN(C(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)CC1 Cc1ccccc1[*:1] C#CCCN1CCN(CC1)C(=O)[C@H](NC(=O)[*:1])C(C)C
C#CCCN1CCN(C(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)CC1 CC(C)[*:1] C#CCCN1CCN(CC1)C(=O)[C@H](NC(=O)c1ccccc1C)[*:1]
O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2ccccc2F)o1 Fc1ccccc1[*:1] O=C(Nc1ccc(F)cc1Cl)c1ccc(o1)[*:1]
Cc1nn2c(nnc3c(=O)n(-c4ccc(Cl)cc4)ccc32)c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)[*:1])c1-c1ccc(Cl)cc1
Cc1nn2c(nnc3c(=O)n(-c4ccc(Cl)cc4)ccc32)c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn2c(nnc3c(=O)n(ccc32)-c2ccc(Cl)cc2)c1[*:1]
CN(C)c1ccc(NC(=O)NNc2ccc(F)c(F)c2F)c[nH+]1 CN(C)[*:1] O=C(NNc1ccc(F)c(F)c1F)Nc1ccc([nH+]c1)[*:1]
NNC(=O)Cc1csc2nc(-c3ccccc3)nn12 NNC(=O)[*:1] c1ccc(cc1)-c1nc2scc(C[*:1])n2n1
NNC(=O)Cc1csc2nc(-c3ccccc3)nn12 c1ccc(cc1)[*:1] NNC(=O)Cc1csc2nc(nn12)[*:1]
NNC(=O)Cc1csc2nc(-c3ccccc3)nn12 NNC(=O)C[*:1] c1ccc(cc1)-c1nc2scc(n2n1)[*:1]
CCCn1c(=O)ncc2c1cnn2[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=c1ncc2c(cnn2[C@@H]2CCS(=O)(=O)C2)n1[*:1]
C[C@H](NC(=O)Cc1cc(F)ccc1F)C(C)(C)C CC(C)(C)[*:1] C[C@H](NC(=O)Cc1cc(F)ccc1F)[*:1]
C[C@H](NC(=O)Cc1cc(F)ccc1F)C(C)(C)C C[C@H](C(C)(C)C)[*:1] O=C(Cc1cc(F)ccc1F)N[*:1]
CC1=C2[C@@H](NC(=O)C[C@@H]2c2cccc(C(F)(F)F)c2)N(C2=NC=NC3=NC=N[C@@H]32)N1 FC(F)(F)c1cccc(c1)[*:1] CC1NN(C2=NC=NC3=NC=N[C@@H]32)[C@@H]2NC(=O)C[C@H](C=12)[*:1]
CC1=C2[C@@H](NC(=O)C[C@@H]2c2cccc(C(F)(F)F)c2)N(C2=NC=NC3=NC=N[C@@H]32)N1 FC(F)(F)[*:1] CC1NN(C2=NC=NC3=NC=N[C@@H]32)[C@@H]2NC(=O)C[C@@H](C=12)c1cccc(c1)[*:1]
Cc1csc([C@@H](C)NC(=O)Nc2ncn(CC(=O)N(C)C)n2)n1 CN(C)C(=O)C[*:1] Cc1csc(n1)[C@@H](C)NC(=O)Nc1ncn(n1)[*:1]
Cc1csc([C@@H](C)NC(=O)Nc2ncn(CC(=O)N(C)C)n2)n1 CN(C)C(=O)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)Nc1ncn(C[*:1])n1
Cc1csc([C@@H](C)NC(=O)Nc2ncn(CC(=O)N(C)C)n2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)[*:1]
Cc1cccc(N2[C@H](Cc3cc(=O)[nH]c(=O)[nH]3)NN[C@@H]2SC(C)C)c1 Cc1cccc(c1)[*:1] CC(C)S[C@H]1NN[C@@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1[*:1]
Cc1cccc(N2[C@H](Cc3cc(=O)[nH]c(=O)[nH]3)NN[C@@H]2SC(C)C)c1 O=c1cc([nH]c(=O)[nH]1)[*:1] Cc1cccc(c1)N1[C@H](C[*:1])NN[C@@H]1SC(C)C
Cc1cccc(N2[C@H](Cc3cc(=O)[nH]c(=O)[nH]3)NN[C@@H]2SC(C)C)c1 CC(C)S[*:1] Cc1cccc(c1)N1[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)NN[C@H]1[*:1]
Cc1cccc(N2[C@H](Cc3cc(=O)[nH]c(=O)[nH]3)NN[C@@H]2SC(C)C)c1 CC(C)[*:1] Cc1cccc(c1)N1[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)NN[C@@H]1S[*:1]
COc1cccc(C(=O)N2CCN(C(=O)Cc3csc(-c4ccccc4Cl)n3)CC2)c1 Clc1ccccc1[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)Cc1csc(n1)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)Cc3csc(-c4ccccc4Cl)n3)CC2)c1 COc1cccc(c1)[*:1] O=C(Cc1csc(n1)-c1ccccc1Cl)N1CCN(CC1)C(=O)[*:1]
NC(=O)C1CCN(C(=O)CCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 Fc1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)CCNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
NC(=O)C1CCN(C(=O)CCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 NC(=O)[*:1] O=C(NCCC(=O)N1CCC(CC1)[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2c(C)cccc2C)c1 Cc1cccc(C)c1[*:1] CC[C@H](C)C(=O)Nc1cccc(c1)CNC(=O)N[*:1]
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2c(C)cccc2C)c1 CC[C@H](C)C(=O)N[*:1] Cc1cccc(C)c1NC(=O)NCc1cccc(c1)[*:1]
Cc1cc(OC(C[NH+](C)C)C[NH+](C)C)nc2ccccc12 C[NH+](C)[*:1] Cc1cc(nc2ccccc12)OC(C[NH+](C)C)C[*:1]
Cc1cc(OC(C[NH+](C)C)C[NH+](C)C)nc2ccccc12 C[NH+](C)C[*:1] Cc1cc(nc2ccccc12)OC(C[NH+](C)C)[*:1]
COc1ccc(C)cc1[C@H](C)NC(=O)N(C)C[C@H](O)C1CC1 C1CC1[*:1] COc1ccc(C)cc1[C@H](C)NC(=O)N(C)C[C@H](O)[*:1]
COc1ccc(C)cc1[C@H](C)NC(=O)N(C)C[C@H](O)C1CC1 O[C@H](C1CC1)[*:1] COc1ccc(C)cc1[C@H](C)NC(=O)N(C)C[*:1]
CC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(C)C1=O FC(F)(F)[*:1] CC(=O)N[C@]1(NC(=O)N(C)C1=O)[*:1]
CC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(C)C1=O CC(=O)N[*:1] CN1C(=O)N[C@@](C1=O)(C(F)(F)F)[*:1]
O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)N1CCC[C@@H](CO)C1 c1ccc(cc1)C[*:1] O=C(N[C@@H]1CCCN(C1=O)[*:1])N1CCC[C@@H](CO)C1
O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)N1CCC[C@@H](CO)C1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCCN(C[*:1])C1=O)N1CCC[C@@H](CO)C1
CCOc1ccc([C@H](C)NC(=O)Nc2ccc(C#N)cc2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@H](C)NC(=O)Nc1ccc(C#N)cc1
CCOc1ccc([C@H](C)NC(=O)Nc2ccc(C#N)cc2)cc1OC N#Cc1ccc(cc1)[*:1] CCOc1ccc(cc1OC)[C@H](C)NC(=O)N[*:1]
Cc1noc(C)c1C[C@H](C)NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1noc(C)c1C[C@H](C)NC(=O)c1cccc(c1)C(=O)O[*:1]
Cc1noc(C)c1C[C@H](C)NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 CC(C)(C)OC(=O)[*:1] Cc1noc(C)c1C[C@H](C)NC(=O)c1cccc(c1)[*:1]
Cc1noc(C)c1C[C@H](C)NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 Cc1noc(C)c1[*:1] C[C@@H](C[*:1])NC(=O)c1cccc(c1)C(=O)OC(C)(C)C
Cc1noc(C)c1C[C@H](C)NC(=O)c1cccc(C(=O)OC(C)(C)C)c1 Cc1noc(C)c1C[*:1] C[C@H](NC(=O)c1cccc(c1)C(=O)OC(C)(C)C)[*:1]
C[C@@H](OC(=O)COc1ccccc1)C(=O)NC1CC1 C1CC1[*:1] C[C@@H](OC(=O)COc1ccccc1)C(=O)N[*:1]
C[C@@H](OC(=O)COc1ccccc1)C(=O)NC1CC1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)CO[*:1])C(=O)NC1CC1
C[C@@H](OC(=O)COc1ccccc1)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@@H](OC(=O)COc1ccccc1)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)[*:1]
O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Cc1cnn(c1)-c1ccccc1)Nc1ccnc(n1)[*:1]
O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Cc1cnn(c1)[*:1])Nc1ccnc(n1)-c1ccccc1
CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cccc(F)c1F CCC[*:1] Cc1ccc(C[C@@H]([NH2+][*:1])c2cccc(F)c2F)nc1
CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cccc(F)c1F Cc1ccc(nc1)[*:1] CCC[NH2+][C@H](C[*:1])c1cccc(F)c1F
CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O c1ccc(cc1)[*:1] CC[C@@H](C[*:1])[NH2+][C@H](C)Cn1ncc2ccccc2c1=O
CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O c1ccc(cc1)C[*:1] CC[C@@H]([NH2+][C@H](C)Cn1ncc2ccccc2c1=O)[*:1]
N#Cc1cc2cc3c(cc2nc1SCC(=O)NCc1ccccc1)OCCO3 c1ccc(cc1)C[*:1] N#Cc1cc2cc3OCCOc3cc2nc1SCC(=O)N[*:1]
N#Cc1cc2cc3c(cc2nc1SCC(=O)NCc1ccccc1)OCCO3 c1ccc(cc1)[*:1] N#Cc1cc2cc3OCCOc3cc2nc1SCC(=O)NC[*:1]
Cc1ccccc1[C@@H]([NH2+]C(CO)CO)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1[C@@H]([NH2+]C(CO)CO)[*:1]
Cc1cnccc1CCN[C@@H](C)c1sc(C(C)C)nc1C CC(C)[*:1] Cc1cnccc1CCN[C@@H](C)c1sc(nc1C)[*:1]
Cc1cnccc1CCN[C@@H](C)c1sc(C(C)C)nc1C Cc1cnccc1[*:1] Cc1nc(sc1[C@H](C)NCC[*:1])C(C)C
CNC(=O)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2)CC1 O=[N+]([O-])[*:1] CNC(=O)CC1CCN(CC1)c1ccc(c(c1)C(=O)OC)[*:1]
CNC(=O)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2)CC1 CNC(=O)C[*:1] COC(=O)c1cc(ccc1[N+](=O)[O-])N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2)CC1 CNC(=O)[*:1] COC(=O)c1cc(ccc1[N+](=O)[O-])N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2)CC1 COC(=O)[*:1] CNC(=O)CC1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
O=[N+]([O-])c1ccc(-c2nc(CN3CCN(c4cccc[nH+]4)CC3)co2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] c1ccc([nH+]c1)N1CCN(CC1)Cc1coc(n1)[*:1]
O=[N+]([O-])c1ccc(-c2nc(CN3CCN(c4cccc[nH+]4)CC3)co2)cc1 O=[N+]([O-])[*:1] c1ccc([nH+]c1)N1CCN(CC1)Cc1coc(n1)-c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)c(C)c1 c1coc(c1)[*:1] Cc1ccc(NC(=O)Cn2nc(c3sc(nc3c2=O)N2CCOCC2)[*:1])c(C)c1
Cc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)c(C)c1 Cc1ccc(NC(=O)[*:1])c(C)c1 O=c1c2nc(sc2c(nn1C[*:1])-c1ccco1)N1CCOCC1
Cc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)c(C)c1 C1CN(CCO1)[*:1] Cc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(nc3c2=O)[*:1])c(C)c1
Cc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Cn1nc(-c2ccco2)c2sc(nc2c1=O)N1CCOCC1)N[*:1]
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)NC[C@@H]1CCN(C1)[*:1]
CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(C(F)(F)F)C1 O=[N+]([O-])[*:1] CC1C[C@](O)(N(N=1)C(=O)c1ccc(cc1)[*:1])C(F)(F)F
CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CC1C[C@@](O)(N(N=1)C(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCCCNC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12 CCC[*:1] O=C(NC[*:1])[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12
CCCCNC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12 CCCCNC(=O)[*:1] O=C1c2ccccc2[C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H](N12)[*:1]
CCCCNC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12 CCCC[*:1] O=C(N[*:1])[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H]2c3ccccc3C(=O)N12
CCn1nc(C)cc1C(=O)N(CCN1CCOCC1)c1nc2ccc(Br)cc2s1 C1CN(CCO1)[*:1] CCn1nc(C)cc1C(=O)N(CC[*:1])c1nc2ccc(Br)cc2s1
CCn1nc(C)cc1C(=O)N(CCN1CCOCC1)c1nc2ccc(Br)cc2s1 C1CN(CCO1)C[*:1] CCn1nc(C)cc1C(=O)N(C[*:1])c1nc2ccc(Br)cc2s1
CCn1nc(C)cc1C(=O)N(CCN1CCOCC1)c1nc2ccc(Br)cc2s1 CCn1nc(C)cc1[*:1] O=C(N(CCN1CCOCC1)c1nc2ccc(Br)cc2s1)[*:1]
CCn1nc(C)cc1C(=O)N(CCN1CCOCC1)c1nc2ccc(Br)cc2s1 C1CN(CCO1)CC[*:1] CCn1nc(C)cc1C(=O)N(c1nc2ccc(Br)cc2s1)[*:1]
CC[C@@H](O)CN(CCn1c(=O)oc2cccnc21)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](O)CN(CCn1c(=O)oc2cccnc21)[*:1]
O=C(NCCc1csc(-c2cccs2)n1)c1ccccc1 c1csc(c1)[*:1] O=C(NCCc1csc(n1)[*:1])c1ccccc1
O=C(NCCc1csc(-c2cccs2)n1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1csc(n1)-c1cccs1)[*:1]
NS(=O)(=O)C[C@H]1CCCN(c2nnnn2-c2ccccc2)C1 c1ccc(cc1)[*:1] NS(=O)(=O)C[C@H]1CCCN(C1)c1nnnn1[*:1]
NS(=O)(=O)C[C@H]1CCCN(c2nnnn2-c2ccccc2)C1 NS(=O)(=O)C[*:1] c1ccc(cc1)-n1nnnc1N1CCC[C@@H](C1)[*:1]
NS(=O)(=O)C[C@H]1CCCN(c2nnnn2-c2ccccc2)C1 NS(=O)(=O)[*:1] c1ccc(cc1)-n1nnnc1N1CCC[C@@H](C1)C[*:1]
CCN[C@]1(C#N)CC[C@@H](n2cc(C)cn2)C1 CCN[*:1] Cc1cnn(c1)[C@@H]1CC[C@@](C#N)(C1)[*:1]
C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 Clc1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)Nc1ccc(F)c(Cl)c1
CC[NH2+][C@@H](Cc1cc(C)ccc1C)C(OC)OC COC(OC)[*:1] CC[NH2+][C@@H](Cc1cc(C)ccc1C)[*:1]
CCc1ccccc1N1C[C@H](C(=O)NCCNC(=O)C2CC2)CC1=O O=C(N[*:1])C1CC1 CCc1ccccc1N1C[C@@H](CC1=O)C(=O)NCC[*:1]
CCc1ccccc1N1C[C@H](C(=O)NCCNC(=O)C2CC2)CC1=O CCc1ccccc1[*:1] O=C(NCCNC(=O)[C@@H]1CC(=O)N(C1)[*:1])C1CC1
CCc1ccccc1N1C[C@H](C(=O)NCCNC(=O)C2CC2)CC1=O O=C(NCC[*:1])C1CC1 CCc1ccccc1N1C[C@@H](CC1=O)C(=O)N[*:1]
CCc1ccccc1N1C[C@H](C(=O)NCCNC(=O)C2CC2)CC1=O O=C(NC[*:1])C1CC1 CCc1ccccc1N1C[C@@H](CC1=O)C(=O)NC[*:1]
CCc1ccccc1N1C[C@H](C(=O)NCCNC(=O)C2CC2)CC1=O C1CC1[*:1] CCc1ccccc1N1C[C@@H](CC1=O)C(=O)NCCNC(=O)[*:1]
CCOc1ccc(C[NH2+]C[C@H](C)O)cc1 CCO[*:1] C[C@H](O)C[NH2+]Cc1ccc(cc1)[*:1]
CC(C)[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H]([NH2+]C[C@@](C)(O)C(C)C)[*:1]
CC(C)[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccccc1 CC(C)[C@@](C)(O)[*:1] CC(C)[C@@H]([NH2+]C[*:1])c1ccccc1
CC(C)[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccccc1 CC(C)[*:1] CC(C)[C@@H]([NH2+]C[C@@](C)(O)[*:1])c1ccccc1
CC(C)[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1ccccc1 CC(C)[*:1] CC(C)[C@](C)(O)C[NH2+][C@@H](c1ccccc1)[*:1]
Cn1ncc(Cl)c1C(=O)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 c1csc(c1)[*:1] Cn1ncc(Cl)c1C(=O)N1CCCCC[C@H]1c1cc(on1)[*:1]
Cn1ncc(Cl)c1C(=O)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 Cn1ncc(Cl)c1[*:1] O=C(N1CCCCC[C@H]1c1cc(on1)-c1cccs1)[*:1]
CCc1nn(C)cc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 CCc1nn(C)cc1[*:1] CN1C(=O)C[C@@H](NC(=O)[*:1])[C@@H]1c1ccc(Cl)cc1
CCc1nn(C)cc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1[*:1]
O=C(Nc1ccc2[nH]ncc2c1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(Nc1ccc2[nH]ncc2c1)[*:1]
O=C(COc1ncnc2sccc12)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(COc1ncnc2sccc12)Nc1ccc(cc1)[*:1]
CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 Clc1ccc(cc1)[*:1] CC(=O)Nc1nc2N[C@@H](C[C@H](n2n1)[*:1])c1ccccc1
CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 CC(=O)N[*:1] Clc1ccc(cc1)[C@H]1C[C@H](Nc2nc(nn21)[*:1])c1ccccc1
CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 c1ccc(cc1)[*:1] CC(=O)Nc1nc2N[C@H](C[C@H](c3ccc(Cl)cc3)n2n1)[*:1]
C[C@@H](CO)NC(=O)N[C@H](c1ccccc1)c1ccco1 C[C@@H](CO)[*:1] O=C(N[C@H](c1ccccc1)c1ccco1)N[*:1]
C[C@@H](CO)NC(=O)N[C@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] C[C@@H](CO)NC(=O)N[C@H](c1ccco1)[*:1]
C[C@@H](CO)NC(=O)N[C@H](c1ccccc1)c1ccco1 c1coc(c1)[*:1] C[C@@H](CO)NC(=O)N[C@H](c1ccccc1)[*:1]
C[C@@](O)(C1CC1)[C@@]1(C[NH3+])CCCc2ccccc21 C[C@@](O)(C1CC1)[*:1] [NH3+]C[C@]1(CCCc2ccccc21)[*:1]
C[C@@](O)(C1CC1)[C@@]1(C[NH3+])CCCc2ccccc21 C1CC1[*:1] C[C@@](O)([C@@]1(C[NH3+])CCCc2ccccc21)[*:1]
COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(C)cc1 COc1ccccc1CNC(=O)[*:1] Cc1ccc(cc1)CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)[*:1]
COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(C)cc1 Cc1ccc(cc1)CC[*:1] COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1[*:1]
COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1CC[*:1]
COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1C[*:1]
COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(C)cc1 COc1ccccc1[*:1] Cc1ccc(cc1)CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC[*:1]
COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(C)cc1 COc1ccccc1C[*:1] Cc1ccc(cc1)CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)N[*:1]
CCCNC(=O)CNC(=O)Nc1ccc(OC)c(F)c1 CCC[*:1] COc1ccc(cc1F)NC(=O)NCC(=O)N[*:1]
CCCNC(=O)CNC(=O)Nc1ccc(OC)c(F)c1 CCCNC(=O)[*:1] COc1ccc(cc1F)NC(=O)NC[*:1]
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)o1 O=[N+]([O-])[*:1] COc1cc(ccc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)o1)[*:1]
CCSCC[C@@H](C)N(C)C(=O)c1ccc(-n2cncn2)cc1C CCSCC[*:1] Cc1cc(ccc1C(=O)N(C)[C@H](C)[*:1])-n1cncn1
CCSCC[C@@H](C)N(C)C(=O)c1ccc(-n2cncn2)cc1C CCSC[*:1] Cc1cc(ccc1C(=O)N(C)[C@H](C)C[*:1])-n1cncn1
CCSCC[C@@H](C)N(C)C(=O)c1ccc(-n2cncn2)cc1C CCS[*:1] Cc1cc(ccc1C(=O)N(C)[C@H](C)CC[*:1])-n1cncn1
CCSCC[C@@H](C)N(C)C(=O)c1ccc(-n2cncn2)cc1C c1ncn(n1)[*:1] CCSCC[C@@H](C)N(C)C(=O)c1ccc(cc1C)[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)N(C)[C@H](C)[*:1])c1ccc2OCCOc2c1
CCOc1ccc2[nH]c(O)c(NC(C)=O)c2c1 CC(=O)N[*:1] CCOc1ccc2[nH]c(O)c(c2c1)[*:1]
CCOc1ccc2[nH]c(O)c(NC(C)=O)c2c1 CCO[*:1] CC(=O)Nc1c(O)[nH]c2ccc(cc12)[*:1]
O=C(CN1CCN(CCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)CCn1cc[nH+]c1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1 CCO[*:1] O=C(c1cnc(s1)-c1ccccc1Cl)N1CCC[C@@H](C1)C[*:1]
CCOC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1 Clc1ccccc1[*:1] CCOC[C@H]1CCCN(C1)C(=O)c1cnc(s1)[*:1]
CCOC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1 CCOC[*:1] O=C(c1cnc(s1)-c1ccccc1Cl)N1CCC[C@@H](C1)[*:1]
Cc1noc2ncnc(NC(C)(C)CO)c12 CC(C)(CO)[*:1] Cc1noc2ncnc(N[*:1])c12
O=C(NC[C@@H](c1ccco1)N1CCOCC1)[C@@H]1COc2ccccc2O1 c1coc(c1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])[C@@H]1COc2ccccc2O1
O=C(NC[C@@H](c1ccco1)N1CCOCC1)[C@@H]1COc2ccccc2O1 C1CN(CCO1)[*:1] O=C(NC[C@@H](c1ccco1)[*:1])[C@@H]1COc2ccccc2O1
COc1ccc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)cc2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(N[*:1])c1ccc(cc1)Cn1cnc2ccccc2c1=O
CSC[C@@](C)(O)CNC(=O)Nc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CSC[C@@](C)(O)CNC(=O)Nc1ccc(cc1)[*:1]
CSC[C@@](C)(O)CNC(=O)Nc1ccc(C(C)(C)C)cc1 CSC[*:1] CC(C)(C)c1ccc(cc1)NC(=O)NC[C@@](C)(O)[*:1]
CC(C)(C)OC(=O)CNC(=O)Nc1cncc2ccccc12 CC(C)(C)OC(=O)[*:1] O=C(NC[*:1])Nc1cncc2ccccc12
CC(C)(C)OC(=O)CNC(=O)Nc1cncc2ccccc12 CC(C)(C)[*:1] O=C(NCC(=O)O[*:1])Nc1cncc2ccccc12
COC(=O)[C@@]1(NC(=O)c2cc3c(C)nn(C)c3s2)CCOC1 COC(=O)[*:1] Cc1nn(C)c2sc(cc12)C(=O)N[C@]1(CCOC1)[*:1]
CCN1CCN(Cc2ccc(C(=O)NCc3cccc(Cl)c3)cc2)C(=O)C1=O Clc1cccc(c1)[*:1] CCN1CCN(Cc2ccc(cc2)C(=O)NC[*:1])C(=O)C1=O
CCN1CCN(Cc2ccc(C(=O)NCc3cccc(Cl)c3)cc2)C(=O)C1=O Clc1cccc(c1)C[*:1] CCN1CCN(Cc2ccc(cc2)C(=O)N[*:1])C(=O)C1=O
CSC[C@H]([NH3+])Cc1cccc(O)c1 CSC[*:1] [NH3+][C@H](Cc1cccc(O)c1)[*:1]
Cc1ccc(C(=O)N2N=C3c4ccccc4S(=O)(=O)N3[C@H]2[NH+]2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(N1N=C2c3ccccc3S(=O)(=O)N2[C@H]1[NH+]1CCCCC1)[*:1]
CCCCS(=O)(=O)NCC(=O)N[C@@H]1CCCn2c(C)nnc21 CCC[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)CNS(=O)(=O)C[*:1]
CCCCS(=O)(=O)NCC(=O)N[C@@H]1CCCn2c(C)nnc21 CCCC[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)CNS(=O)(=O)[*:1]
CCCCCNC(=O)Cn1nc(C)c(N)c1C CCCCC[*:1] Cc1nn(CC(=O)N[*:1])c(C)c1N
CCCCCNC(=O)Cn1nc(C)c(N)c1C CCCC[*:1] Cc1nn(CC(=O)NC[*:1])c(C)c1N
CCCCCNC(=O)Cn1nc(C)c(N)c1C CCC[*:1] Cc1nn(CC(=O)NCC[*:1])c(C)c1N
CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)c1csnn1 c1snnc1[*:1] CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)[*:1]
CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)c1csnn1 CC(C)(C)[*:1] O=C(N[*:1])[C@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)c1csnn1
CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)c1csnn1 Fc1ccc(cc1)C[*:1] CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)c1csnn1)[*:1]
CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)c1csnn1 Fc1ccccc1[*:1] CC(C)(C)NC(=O)[C@H](N(Cc1ccc(F)cc1)C(=O)c1csnn1)[*:1]
CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)c1csnn1 CC(C)(C)NC(=O)[*:1] O=C(c1csnn1)N(Cc1ccc(F)cc1)[C@@H](c1ccccc1F)[*:1]
CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1ccc(F)cc1)C(=O)c1csnn1 Fc1ccc(cc1)[*:1] CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C[*:1])C(=O)c1csnn1
O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1ccc(c(F)c1)-n1ccnc1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 c1cn(cn1)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])[C@@H]1CC(=O)N(C1)CC(F)(F)F
O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(Nc1ccc(c(F)c1)-n1ccnc1)[C@@H]1CC(=O)N(C1)[*:1]
CCC[C@H]1CN(C(=O)[C@@H](C)CCC)CCO1 CCC[*:1] CCC[C@H](C)C(=O)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)[C@@H](C)CCC)CCO1 CCC[C@H](C)[*:1] CCC[C@H]1CN(CCO1)C(=O)[*:1]
CCC[C@H]1CN(C(=O)[C@@H](C)CCC)CCO1 CCC[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@@H](C)[*:1]
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccccc1Cl)O[C@H](C)C(=O)N2 Clc1ccccc1C[*:1] Cc1cc2NC(=O)[C@@H](C)Oc2cc1S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccccc1Cl)O[C@H](C)C(=O)N2 Clc1ccccc1[*:1] Cc1cc2NC(=O)[C@@H](C)Oc2cc1S(=O)(=O)N1CCC[C@H]1C(=O)NC[*:1]
[NH3+]C[C@H](Cc1ccccc1)Nc1ccc(Cl)c(Br)c1 c1ccc(cc1)[*:1] [NH3+]C[C@H](C[*:1])Nc1ccc(Cl)c(Br)c1
O=C(Cc1ccccc1)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)C[*:1] O=C(N[C@H](c1ccccc1)c1nc2ccccc2[nH]1)[*:1]
O=C(Cc1ccccc1)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1)N[C@H](c1nc2ccccc2[nH]1)[*:1]
O=C(Cc1ccccc1)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 c1ccc(cc1)[*:1] O=C(C[*:1])N[C@H](c1ccccc1)c1nc2ccccc2[nH]1
Cc1ccccc1C(=O)NCC(=O)NCC[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)NCC(=O)NCC[C@@H](O)[*:1]
Cc1ccccc1C(=O)NCC(=O)NCC[C@@H](O)c1ccccc1 Cc1ccccc1[*:1] O=C(CNC(=O)[*:1])NCC[C@@H](O)c1ccccc1
Cc1ccccc1C(=O)NCC(=O)NCC[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] Cc1ccccc1C(=O)NCC(=O)NCC[*:1]
CCOC(=O)N(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 CCOC(=O)N(C)[*:1] OC(c1ccc(cc1)[*:1])(C(F)(F)F)C(F)(F)F
CCOC(=O)N(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 FC(F)(F)[*:1] CCOC(=O)N(C)c1ccc(cc1)C(O)(C(F)(F)F)[*:1]
O=C1CCCC[C@H]1Sc1nnc(N2CCCCC2)n1-c1ccccc1 C1CCN(CC1)[*:1] O=C1CCCC[C@H]1Sc1nnc(n1-c1ccccc1)[*:1]
O=C1CCCC[C@H]1Sc1nnc(N2CCCCC2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=C1CCCC[C@H]1Sc1nnc(N2CCCCC2)n1[*:1]
CC(=O)N[C@H](C(=O)Nc1nnc(CC(C)C)s1)C(C)C CC(=O)N[*:1] CC(C)Cc1nnc(NC(=O)[C@H](C(C)C)[*:1])s1
CC(=O)N[C@H](C(=O)Nc1nnc(CC(C)C)s1)C(C)C CC(C)C[*:1] CC(=O)N[C@H](C(=O)Nc1nnc(s1)[*:1])C(C)C
CC(=O)N[C@H](C(=O)Nc1nnc(CC(C)C)s1)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)Nc1nnc(CC(C)C)s1)[*:1]
CC(=O)N[C@H](C(=O)Nc1nnc(CC(C)C)s1)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)Nc1nnc(C[*:1])s1)C(C)C
CSCCc1nc(CSc2nnc(N)s2)n(C(C)(C)C)n1 Nc1nnc(S[*:1])s1 CSCCc1nc(C[*:1])n(n1)C(C)(C)C
CSCCc1nc(CSc2nnc(N)s2)n(C(C)(C)C)n1 CSCC[*:1] CC(C)(C)n1nc(nc1CSc1nnc(N)s1)[*:1]
CSCCc1nc(CSc2nnc(N)s2)n(C(C)(C)C)n1 CC(C)(C)[*:1] CSCCc1nc(CSc2nnc(N)s2)n(n1)[*:1]
CSCCc1nc(CSc2nnc(N)s2)n(C(C)(C)C)n1 Nc1nnc(s1)[*:1] CSCCc1nc(CS[*:1])n(n1)C(C)(C)C
CSCCc1nc(CSc2nnc(N)s2)n(C(C)(C)C)n1 CSC[*:1] CC(C)(C)n1nc(C[*:1])nc1CSc1nnc(N)s1
O=C(CC1(O)CCCCC1)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(CC1(O)CCCCC1)Nc1ccn(C[*:1])n1
O=C(CC1(O)CCCCC1)Nc1ccn(Cc2ccccc2)n1 OC1(CCCCC1)[*:1] O=C(C[*:1])Nc1ccn(Cc2ccccc2)n1
O=C(CC1(O)CCCCC1)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(CC1(O)CCCCC1)Nc1ccn(n1)[*:1]
C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)C[NH+]1CCCC1)[*:1]
O=C(CN1C(=O)COc2ccccc21)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(CN1C(=O)COc2ccccc21)N[*:1]
N#Cc1cc(NCC(=O)Nc2ccnn2C2CCCC2)ccc1Cl C1CCC(C1)[*:1] N#Cc1cc(ccc1Cl)NCC(=O)Nc1ccnn1[*:1]
COc1ccc2[nH]c(C(=O)N3CCc4sc(C(=O)Nc5ccccc5)cc4C3)cc2n1 O=C(Nc1ccccc1)[*:1] COc1ccc2[nH]c(cc2n1)C(=O)N1CCc2sc(cc2C1)[*:1]
COc1ccc2[nH]c(C(=O)N3CCc4sc(C(=O)Nc5ccccc5)cc4C3)cc2n1 c1ccc(cc1)[*:1] COc1ccc2[nH]c(cc2n1)C(=O)N1CCc2sc(cc2C1)C(=O)N[*:1]
Cc1cc(CC(=O)N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)on1 Cc1cc(C[*:1])on1 O=C1N(CCC[C@@]12CCN(C2)C(=O)[*:1])C1CCCC1
Cc1cc(CC(=O)N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)on1 Cc1cc(on1)[*:1] O=C(C[*:1])N1CC[C@@]2(CCCN(C2=O)C2CCCC2)C1
Cc1cc(CC(=O)N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)on1 C1CCC(C1)[*:1] Cc1cc(CC(=O)N2CC[C@@]3(CCCN(C3=O)[*:1])C2)on1
CNC(=S)N1CC[NH+](CC/N=C/[C@H]2C(=O)N=C(S)N(c3ccc(C)cc3)C2=O)CC1 Cc1ccc(cc1)[*:1] CNC(=S)N1CC[NH+](CC/N=C/[C@H]2C(=O)N=C(S)N(C2=O)[*:1])CC1
C[C@@H](CNCc1ccco1)c1ccccc1 c1coc(c1)[*:1] C[C@@H](CNC[*:1])c1ccccc1
C[C@H](NC(=O)Nc1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)Nc1ccc2OCOc2c1)c1ccc(cc1)[*:1]
CCN(C(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1ccc(C)c(c1)NS(C)(=O)=O)[*:1]
CCN(C(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccccc1 CS(=O)(=O)N[*:1] CCN(C(=O)c1ccc(C)c(c1)[*:1])c1ccccc1
C[C@H](CNC(=O)N1CC[C@H]([N+]2=CCCC2)C1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CC[C@@H](C1)[N+]1=CCCC1)c1nc(no1)[*:1]
CCN(Cc1ccccc1)C(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(C)c1 c1ccc(cc1)C[*:1] CCN(C(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(C)c1)[*:1]
CCN(Cc1ccccc1)C(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(C)c1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(C)c1
CCN(Cc1ccccc1)C(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(Cc1ccccc1)C(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)NCC(C)(C)c2ccccc2Cl)C1 Clc1ccccc1[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)NCC(C)(C)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)NCC(C)(C)c2ccccc2Cl)C1 CCCNC(=O)[*:1] CC(C)(CNC(=O)N1CCC[C@H](C1)[*:1])c1ccccc1Cl
CCCNC(=O)[C@@H]1CCCN(C(=O)NCC(C)(C)c2ccccc2Cl)C1 CCC[*:1] CC(C)(CNC(=O)N1CCC[C@H](C1)C(=O)N[*:1])c1ccccc1Cl
C[C@H](Sc1nc2ccccc2n1C(F)F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 FC(F)[*:1] C[C@H](Sc1nc2ccccc2n1[*:1])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
Oc1ccc(COc2ccc(F)cc2C#CCCCl)cc1 Oc1ccc(cc1)[*:1] Fc1ccc(OC[*:1])c(C#CCCCl)c1
Oc1ccc(COc2ccc(F)cc2C#CCCCl)cc1 ClCCC#C[*:1] Oc1ccc(cc1)COc1ccc(F)cc1[*:1]
Oc1ccc(COc2ccc(F)cc2C#CCCCl)cc1 ClCC[*:1] Oc1ccc(cc1)COc1ccc(F)cc1C#C[*:1]
O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] O=S(=O)([N-]c1cccc(c1)-c1cnco1)c1cccc(c1)[*:1]
O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)([N-]c1cccc(c1)-c1cnco1)c1cccc(c1)O[*:1]
O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1cccc(OC(F)(F)F)c1 c1ncc(o1)[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1cccc(c1)OC(F)(F)F
CN(C)C(=O)C1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 CN(C)C(=O)[*:1] O=C1c2ccccc2C(=O)N1CC[NH+]1CCC(CC1)[*:1]
Cc1cc2nc(CSc3nnc(/N=C(\[O-])c4cccs4)s3)cc(=O)n2o1 c1csc(c1)[*:1] Cc1cc2nc(cc(=O)n2o1)CSc1nnc(/N=C(\[O-])[*:1])s1
Cc1cc2nc(CSc3nnc(/N=C(\[O-])c4cccs4)s3)cc(=O)n2o1 [O-]C(=N[*:1])c1cccs1 Cc1cc2nc(cc(=O)n2o1)CSc1nnc(s1)[*:1]
CS(=O)(=O)c1ccc(Sc2ccccc2)cc1 CS(=O)(=O)[*:1] c1ccc(cc1)Sc1ccc(cc1)[*:1]
O=C(C1CC1)N1CCC[C@@H](C(=O)N2C[C@H]3CCCC[C@H]3C2)C1 C1CC1[*:1] O=C([C@@H]1CCCN(C1)C(=O)[*:1])N1C[C@H]2CCCC[C@H]2C1
CCC1(CNC(=O)N[C@H]2CCCC[C@@H]2OC)CCC1 CCC1(CCC1)[*:1] CO[C@H]1CCCC[C@@H]1NC(=O)NC[*:1]
CN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H]1C=c2cc(F)ccc2=[NH+]1 CN(C)[*:1] O=C(N[C@H]1CCCc2nc(ncc21)[*:1])[C@@H]1C=c2cc(F)ccc2=[NH+]1
O=Cc1ccc(-c2cnccc2C(=O)[O-])s1 O=C([O-])[*:1] O=Cc1ccc(s1)-c1cnccc1[*:1]
C[C@@H](c1ccccc1F)N(C)C[C@@H]1CSc2ccccc21 Fc1ccccc1[*:1] C[C@@H](N(C)C[C@@H]1CSc2ccccc21)[*:1]
C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1CC(=O)N1CC[C@@H](C)[C@H]2CCCC[C@H]21 NC(=O)[*:1] C[C@H]1C[C@@H](c2ccccc2N1CC(=O)N1CC[C@@H](C)[C@H]2CCCC[C@H]21)[*:1]
O=C(NC1CC[NH+](Cc2cccc3[nH]ccc23)CC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(NC1CC[NH+](CC1)Cc1cccc2[nH]ccc12)[*:1]
CCCOc1cc(C)ccc1NC(=O)NCc1ccc(C(=O)N(C)C)cc1 CCC[*:1] Cc1ccc(NC(=O)NCc2ccc(cc2)C(=O)N(C)C)c(c1)O[*:1]
CCCOc1cc(C)ccc1NC(=O)NCc1ccc(C(=O)N(C)C)cc1 CCCO[*:1] Cc1ccc(NC(=O)NCc2ccc(cc2)C(=O)N(C)C)c(c1)[*:1]
CCCOc1cc(C)ccc1NC(=O)NCc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CCCOc1cc(C)ccc1NC(=O)NCc1ccc(cc1)[*:1]
CCc1ccc(CN/C(NCC(=O)N2CCCCC2)=[NH+]\C)s1 CCc1ccc(s1)[*:1] C/[NH+]=C(/NCC(=O)N1CCCCC1)NC[*:1]
CCOc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1 C1CC1[*:1] CCOc1ccc(cc1)NC(=O)Cn1cc(C(=O)[*:1])c2ccccc21
CCOc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1 CCO[*:1] O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1 O=C(C1CC1)[*:1] CCOc1ccc(cc1)NC(=O)Cn1cc(c2ccccc21)[*:1]
CCOc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1 CCOc1ccc(cc1)[*:1] O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)N[*:1]
Cc1ccc(N2C(=O)N(CC(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)C(=O)[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@H]1C(=O)N(CC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)C(=O)N1[*:1]
C[C@H](c1noc(C2(C)CCCC2)n1)N1CC[NH2+]CC1 CC1(CCCC1)[*:1] C[C@H](c1noc(n1)[*:1])N1CC[NH2+]CC1
COCCn1cc(C(=O)Nc2cccc3[nH]ccc23)c2ccccc2c1=O COCC[*:1] O=C(Nc1cccc2[nH]ccc12)c1cn(c(=O)c2ccccc12)[*:1]
COCCn1cc(C(=O)Nc2cccc3[nH]ccc23)c2ccccc2c1=O c1cc(c2cc[nH]c2c1)[*:1] COCCn1cc(C(=O)N[*:1])c2ccccc2c1=O
COCCn1cc(C(=O)Nc2cccc3[nH]ccc23)c2ccccc2c1=O COC[*:1] O=C(Nc1cccc2[nH]ccc12)c1cn(C[*:1])c(=O)c2ccccc12
O=C(Cc1ccccc1Cl)Nc1nc2ccccc2nc1N1CCCC1 Clc1ccccc1C[*:1] O=C(Nc1nc2ccccc2nc1N1CCCC1)[*:1]
O=C(Cc1ccccc1Cl)Nc1nc2ccccc2nc1N1CCCC1 Clc1ccccc1[*:1] O=C(C[*:1])Nc1nc2ccccc2nc1N1CCCC1
O=C(Cc1ccccc1Cl)Nc1nc2ccccc2nc1N1CCCC1 C1CCN(C1)[*:1] O=C(Cc1ccccc1Cl)Nc1nc2ccccc2nc1[*:1]
COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 CC(=O)[*:1] COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1]
COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 COC(=O)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1[*:1]
COc1ccc(C2=NN(CN3C(=O)C(=O)c4cc(Br)ccc43)[C@@H](c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@H](N(CN2C(=O)C(=O)c3cc(Br)ccc32)N=1)[*:1]
COc1ccc(C2=NN(CN3C(=O)C(=O)c4cc(Br)ccc43)[C@@H](c3ccccc3)C2)cc1 COc1ccc(cc1)[*:1] O=C1C(=O)N(CN2N=C(C[C@@H]2c2ccccc2)[*:1])c2ccc(Br)cc21
CC(C)(C)CC(=O)NNC(=O)c1cc(Cl)c[nH]1 CC(C)(C)[*:1] O=C(C[*:1])NNC(=O)c1cc(Cl)c[nH]1
CC(C)(C)CC(=O)NNC(=O)c1cc(Cl)c[nH]1 CC(C)(C)C[*:1] O=C(NNC(=O)[*:1])c1cc(Cl)c[nH]1
CN(C)c1ccc2cc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)ccc2n1 CN(C)[*:1] O=C(Nc1ccc2nc(ccc2c1)[*:1])[C@@H]1CC(=O)N(C1)C1CCCC1
CN(C)c1ccc2cc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)ccc2n1 C1CCC(C1)[*:1] CN(C)c1ccc2cc(ccc2n1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccccc1OC(F)(F)F)c1ccc(Br)o1 FC(F)(F)O[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Br)o1
O=C(Nc1ccccc1OC(F)(F)F)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(Nc1ccccc1OC(F)(F)F)[*:1]
O=C(Nc1ccccc1OC(F)(F)F)c1ccc(Br)o1 FC(F)(F)[*:1] O=C(Nc1ccccc1O[*:1])c1ccc(Br)o1
Cc1cc(NC(=O)[C@@H]2C[C@H]2C)nc2nc(C(F)(F)F)nn12 C[C@@H]1C[C@H]1C(=O)N[*:1] Cc1cc(nc2nc(nn12)C(F)(F)F)[*:1]
Cc1cc(NC(=O)[C@@H]2C[C@H]2C)nc2nc(C(F)(F)F)nn12 FC(F)(F)[*:1] Cc1cc(nc2nc(nn12)[*:1])NC(=O)[C@@H]1C[C@H]1C
O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1cc(F)c([N+](=O)[O-])cc1F C1CCC(C1)O[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])c1cc(F)c(cc1F)[N+](=O)[O-]
O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1cc(F)c([N+](=O)[O-])cc1F C1CCC(C1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1O[*:1])c1cc(F)c(cc1F)[N+](=O)[O-]
O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1cc(F)c([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1cc(F)c(cc1F)[*:1]
O=C(Nc1ccccc1)Nc1nc(C(=O)NC[C@H]2CCCO2)cs1 c1ccc(cc1)[*:1] O=C(Nc1nc(cs1)C(=O)NC[C@H]1CCCO1)N[*:1]
O[C@H](c1ccccc1)[C@H](/C=C/c1ccccc1)n1nc2ccccc2n1 O[C@H](c1ccccc1)[*:1] C(=C/[C@H](n1nc2ccccc2n1)[*:1])\c1ccccc1
O[C@H](c1ccccc1)[C@H](/C=C/c1ccccc1)n1nc2ccccc2n1 c1ccc(cc1)[*:1] O[C@H](c1ccccc1)[C@H](C=C[*:1])n1nc2ccccc2n1
O[C@H](c1ccccc1)[C@H](/C=C/c1ccccc1)n1nc2ccccc2n1 c1ccc(cc1)[*:1] O[C@H]([C@H](/C=C/c1ccccc1)n1nc2ccccc2n1)[*:1]
O[C@H](c1ccccc1)[C@H](/C=C/c1ccccc1)n1nc2ccccc2n1 C(=C[*:1])c1ccccc1 O[C@H](c1ccccc1)[C@H](n1nc2ccccc2n1)[*:1]
O=C([C@@H]1CCC(=O)N1C1CCCC1)N1CCNc2ccccc2C1 C1CCC(C1)[*:1] O=C([C@@H]1CCC(=O)N1[*:1])N1CCNc2ccccc2C1
CCC[NH+](Cc1cccc(N)c1)C1CC1 CCC[*:1] Nc1cccc(c1)C[NH+](C1CC1)[*:1]
CCC[NH+](Cc1cccc(N)c1)C1CC1 C1CC1[*:1] CCC[NH+](Cc1cccc(N)c1)[*:1]
COCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1cccc(F)c1 COC[*:1] O=C([O-])[C@@H]1CC(=O)N(C[*:1])[C@@H]1c1cccc(F)c1
COCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1cccc(F)c1 O=C([O-])[*:1] COCCN1C(=O)C[C@@H]([C@H]1c1cccc(F)c1)[*:1]
COCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1cccc(F)c1 COCC[*:1] O=C([O-])[C@@H]1CC(=O)N([C@@H]1c1cccc(F)c1)[*:1]
CN(C(=O)c1cccc(NC(=O)c2cccnc2Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1cccc(c1)NC(=O)c1cccnc1Cl)[*:1]
CN(C(=O)c1cccc(NC(=O)c2cccnc2Cl)c1)c1ccccc1 Clc1ncccc1[*:1] CN(C(=O)c1cccc(c1)NC(=O)[*:1])c1ccccc1
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 C1CO[C@H](C1)C[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccc4OCOc4c3)c2c(=O)n1[*:1]
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 C1CO[C@H](C1)[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c3ccc4OCOc4c3)c2c(=O)n1C[*:1]
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 c1cc2OCOc2cc1[*:1] Cc1cc2OC(N)=C(C#N)[C@@H](c2c(=O)n1C[C@H]1CCCO1)[*:1]
CN1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O c1ccc(cc1)[*:1] CN1C[C@@H](CC1=O)C(=O)N1CCN(CC1)C(=O)[*:1]
O[C@@H](CN1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccccc1 Fc1cccc(Cl)c1[*:1] O[C@@H](CN1CC[NH+](CC1)C[*:1])c1ccccc1
O[C@@H](CN1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](CN1CC[NH+](CC1)Cc1c(F)cccc1Cl)[*:1]
O[C@@H](CN1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccccc1 O[C@@H](c1ccccc1)[*:1] Fc1cccc(Cl)c1C[NH+]1CCN(CC1)C[*:1]
Cc1[nH]c(=O)ccc1C(=O)N(Cc1ccccc1)[C@H](C)CCO c1ccc(cc1)C[*:1] Cc1[nH]c(=O)ccc1C(=O)N([C@H](C)CCO)[*:1]
Cc1[nH]c(=O)ccc1C(=O)N(Cc1ccccc1)[C@H](C)CCO OCC[*:1] Cc1[nH]c(=O)ccc1C(=O)N(Cc1ccccc1)[C@H](C)[*:1]
Cc1[nH]c(=O)ccc1C(=O)N(Cc1ccccc1)[C@H](C)CCO c1ccc(cc1)[*:1] Cc1[nH]c(=O)ccc1C(=O)N(C[*:1])[C@H](C)CCO
CC1(C)Cc2ccccc2C(C[n+]2ccccc2)=N1 c1cc[n+](cc1)[*:1] CC1(C)Cc2ccccc2C(C[*:1])=N1
CSCC[C@H]1NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O CSC[*:1] CC(C)(C)c1ccc(cc1)CN1C(=O)N[C@H](C[*:1])C1=O
CSCC[C@H]1NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O CC(C)(C)[*:1] CSCC[C@H]1NC(=O)N(Cc2ccc(cc2)[*:1])C1=O
CSCC[C@H]1NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O CSCC[*:1] CC(C)(C)c1ccc(cc1)CN1C(=O)N[C@@H](C1=O)[*:1]
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)c12 Fc1ccc(cc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(CCC(N)=O)[*:1])c12)-c1ccccc1
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)c12 NC(=O)CC[*:1] Cc1nn(C)c2nc(cc(C(=O)N(c3ccc(F)cc3)[*:1])c12)-c1ccccc1
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)c12 c1ccc(cc1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)c12)[*:1]
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)c12 NC(=O)C[*:1] Cc1nn(C)c2nc(cc(C(=O)N(C[*:1])c3ccc(F)cc3)c12)-c1ccccc1
Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)c12 NC(=O)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(CC[*:1])c3ccc(F)cc3)c12)-c1ccccc1
O=C(C[C@H](O)c1cccc(F)c1)NC[C@H]1C[NH+]2CCN1CC2 Fc1cccc(c1)[*:1] O=C(C[C@H](O)[*:1])NC[C@H]1C[NH+]2CCN1CC2
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1cc2ccccc2[nH]1 C1CO[C@H](C1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)NCc1cc2ccccc2[nH]1
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1cc2ccccc2[nH]1 C1CO[C@H](C1)C[*:1] C[NH+](C)CCN(C(=O)NCc1cc2ccccc2[nH]1)[*:1]
Nn1c(SCc2ccccc2Cl)nnc(NCc2ccccc2)c1=O Clc1ccccc1[*:1] Nn1c(nnc(NCc2ccccc2)c1=O)SC[*:1]
Nn1c(SCc2ccccc2Cl)nnc(NCc2ccccc2)c1=O c1ccc(cc1)[*:1] Nn1c(nnc(NC[*:1])c1=O)SCc1ccccc1Cl
Nn1c(SCc2ccccc2Cl)nnc(NCc2ccccc2)c1=O c1ccc(cc1)C[*:1] Nn1c(nnc(N[*:1])c1=O)SCc1ccccc1Cl
Nn1c(SCc2ccccc2Cl)nnc(NCc2ccccc2)c1=O c1ccc(cc1)CN[*:1] Nn1c(nnc(c1=O)[*:1])SCc1ccccc1Cl
Nn1c(SCc2ccccc2Cl)nnc(NCc2ccccc2)c1=O Clc1ccccc1C[*:1] Nn1c(nnc(NCc2ccccc2)c1=O)S[*:1]
Cn1nccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 Cn1nccc1[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCCCC1
C[C@H](Sc1ccccn1)C(=O)Nc1ccccc1C(=O)N(C)C c1ccc(nc1)[*:1] C[C@H](S[*:1])C(=O)Nc1ccccc1C(=O)N(C)C
C[C@H](Sc1ccccn1)C(=O)Nc1ccccc1C(=O)N(C)C c1ccc(nc1)S[*:1] C[C@H](C(=O)Nc1ccccc1C(=O)N(C)C)[*:1]
C[C@H](Sc1ccccn1)C(=O)Nc1ccccc1C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](Sc1ccccn1)C(=O)Nc1ccccc1[*:1]
CNC(=O)C(C)(C)CNC(=O)c1cccc(OC)c1F CNC(=O)[*:1] COc1cccc(C(=O)NCC(C)(C)[*:1])c1F
CC[C@H](O)c1ccn(C[C@@H]2Cc3cc(F)ccc3O2)c1 CC[C@H](O)[*:1] Fc1ccc2O[C@@H](Cc2c1)Cn1ccc(c1)[*:1]
O=C(Cn1ccccc1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 O=c1ccccn1[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1cn2ccsc2n1
O=C(Cn1ccccc1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 c1cn2cc(nc2s1)[*:1] O=C(Cn1ccccc1=O)Nc1ccc(cc1)[*:1]
O=C(Cn1ccccc1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 O=c1ccccn1C[*:1] O=C(Nc1ccc(cc1)-c1cn2ccsc2n1)[*:1]
O=c1c(CN2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccccn2)coc2ccccc12 c1ccc(nc1)[*:1] O=c1c(coc2ccccc12)CN1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1[*:1]
CC(C)OC(=O)c1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 CC(C)[*:1] Cn1nc(CC(=O)Nc2ccc(cc2)C(=O)O[*:1])c2ccccc2c1=O
CC(C)OC(=O)c1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 CC(C)OC(=O)[*:1] Cn1nc(CC(=O)Nc2ccc(cc2)[*:1])c2ccccc2c1=O
CCc1ccc(CC(=O)NCC[C@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)CC(=O)NCC[C@H](O)[*:1]
Cc1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1F Cc1ccc(cc1F)[*:1] O=C(N1CCN(CC1)Cc1cccc(F)c1)[*:1]
Cc1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1F Fc1cccc(c1)C[*:1] Cc1ccc(cc1F)C(=O)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1F Fc1cccc(c1)[*:1] Cc1ccc(cc1F)C(=O)N1CCN(CC1)C[*:1]
Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(C#N)c2)c(C)c1C N#Cc1cccc(c1)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NCCC(=O)N[*:1]
CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)n2)c1 CCC(=O)N[*:1] O=C(/C=C/c1ccccc1)N1CCC[C@H](C1)c1nc(no1)-c1cccc(c1)[*:1]
CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)n2)c1 C(=C[*:1])c1ccccc1 CCC(=O)Nc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)n2)c1 c1ccc(cc1)[*:1] CCC(=O)Nc1cccc(c1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C=C[*:1]
C[C@@H](c1nc2c3cnn(C)c3ncn2n1)n1cc(Cl)cn1 Clc1cnn(c1)[*:1] C[C@@H](c1nc2c3cnn(C)c3ncn2n1)[*:1]
O=C(c1nnn(-c2ccccc2)c1CSc1ncccn1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O c1cnc(nc1)SC[*:1] O=C(c1nnn(-c2ccccc2)c1[*:1])N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
O=C(c1nnn(-c2ccccc2)c1CSc1ncccn1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O c1cnc(nc1)[*:1] O=C(c1nnn(-c2ccccc2)c1CS[*:1])N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
O=C(c1nnn(-c2ccccc2)c1CSc1ncccn1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O c1cnc(nc1)S[*:1] O=C(c1nnn(-c2ccccc2)c1C[*:1])N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
O=C(c1nnn(-c2ccccc2)c1CSc1ncccn1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O c1ccc(cc1)[*:1] O=C(c1nnn(c1CSc1ncccn1)[*:1])N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
CC[NH2+][C@@H](Cc1ccsc1)C1(C)CCCC1 c1cc(cs1)[*:1] CC[NH2+][C@@H](C[*:1])C1(C)CCCC1
CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)[C@@H]1CCC[C@@H](C1)C(F)(F)F)[C@@H]1CCCC[C@H]1[*:1]
CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O FC(F)(F)[*:1] CN(C(=O)[C@@H]1CCC[C@H](C1)[*:1])[C@@H]1CCCC[C@@H]1S(C)(=O)=O
C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)C1 FC(F)O[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)C1 FC(F)[*:1] C[C@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc(O[*:1])c(F)c1
COc1ccc(CC(=O)Nc2c(C)nn(COc3ccc(F)cc3F)c2C)cc1 Fc1ccc(O[*:1])c(F)c1 COc1ccc(cc1)CC(=O)Nc1c(C)nn(C[*:1])c1C
COc1ccc(CC(=O)Nc2c(C)nn(COc3ccc(F)cc3F)c2C)cc1 COc1ccc(cc1)[*:1] Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)C[*:1]
COc1ccc(CC(=O)Nc2c(C)nn(COc3ccc(F)cc3F)c2C)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1)CC(=O)Nc1c(C)nn(CO[*:1])c1C
COc1ccc(CC(=O)Nc2c(C)nn(COc3ccc(F)cc3F)c2C)cc1 COc1ccc(cc1)C[*:1] Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[*:1]
COc1ccccc1[C@@H]([NH3+])[C@H](C)OC CO[C@@H](C)[*:1] COc1ccccc1[C@@H]([NH3+])[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)[NH+]3CCCCC3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)[*:1])[NH+]1CCCCC1
O=Cc1cc(Cl)ccc1C(=O)[O-] O=C([O-])[*:1] O=Cc1cc(Cl)ccc1[*:1]
Cc1cn2c([nH+]1)CC[C@H](NC(=O)Cc1ccccc1C)C2 Cc1ccccc1[*:1] Cc1cn2C[C@H](CCc2[nH+]1)NC(=O)C[*:1]
COc1cccc([C@@H](CO)NC(=O)CSc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)CS[*:1]
COc1cccc([C@@H](CO)NC(=O)CSc2ccccc2)c1 c1ccc(cc1)S[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)C[*:1]
COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccsc1 CC(C)[*:1] COC(=O)C1=C(C)N(C[*:1])C(=O)N[C@H]1c1ccsc1
COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccsc1 c1cc(cs1)[*:1] COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1[*:1]
COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccsc1 COC(=O)[*:1] CC1=C([C@@H](NC(=O)N1CC(C)C)c1ccsc1)[*:1]
COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccsc1 CC(C)C[*:1] COC(=O)C1=C(C)N(C(=O)N[C@H]1c1ccsc1)[*:1]
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N(C)c3ccccc3)c1)C2=O CN(c1ccccc1)S(=O)(=O)[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(c1)[*:1])C2=O
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N(C)c3ccccc3)c1)C2=O c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(c1)S(=O)(=O)N(C)[*:1])C2=O
O=C(CSc1nc2ccccc2o1)Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2o1)N[*:1]
CCCCN1C(=O)[C@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)c2ccccc21 CCC[*:1] Cc1cc(C)c(C)c(C(=O)C[C@@]2(O)C(=O)N(C[*:1])c3ccccc32)c1C
CCCCN1C(=O)[C@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)c2ccccc21 CCCC[*:1] Cc1cc(C)c(C)c(C(=O)C[C@@]2(O)C(=O)N(c3ccccc32)[*:1])c1C
Cc1n[n-]c(C(=O)N(C)CC(F)(F)F)n1 FC(F)(F)[*:1] Cc1n[n-]c(n1)C(=O)N(C)C[*:1]
Cc1n[n-]c(C(=O)N(C)CC(F)(F)F)n1 FC(F)(F)C[*:1] Cc1n[n-]c(n1)C(=O)N(C)[*:1]
O=C(NNC(=O)c1sccc1C1CC1)c1cc(Br)c[nH]1 Brc1c[nH]c(c1)[*:1] O=C(NNC(=O)[*:1])c1sccc1C1CC1
O=C(NNC(=O)c1sccc1C1CC1)c1cc(Br)c[nH]1 C1CC1[*:1] O=C(NNC(=O)c1sccc1[*:1])c1cc(Br)c[nH]1
COc1c(F)cc(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)cc1F N#Cc1cccc(c1)[*:1] COc1c(F)cc(cc1F)NC(=O)C(=O)N[C@H](C)[*:1]
Cc1cc(OCC(=O)N2CCN(c3ccccn3)CC2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccccn1
Cc1cc(OCC(=O)N2CCN(c3ccccn3)CC2)ccc1Br c1ccc(nc1)[*:1] Cc1cc(ccc1Br)OCC(=O)N1CCN(CC1)[*:1]
O=C1N=C(/C(=C\c2ccc3c(c2)OCCO3)C(=O)N2CCCC2)N=C2S[C@@H](c3ccccc3)C=C12 c1ccc(cc1)[*:1] O=C1N=C(N=C2S[C@@H](C=C12)[*:1])/C(=C\c1ccc2OCCOc2c1)C(=O)N1CCCC1
O=C1N=C(/C(=C\c2ccc3c(c2)OCCO3)C(=O)N2CCCC2)N=C2S[C@@H](c3ccccc3)C=C12 c1cc2OCCOc2cc1[*:1] O=C1N=C(N=C2S[C@H](C=C12)c1ccccc1)C(=C[*:1])C(=O)N1CCCC1
O=C1N=C(/C(=C\c2ccc3c(c2)OCCO3)C(=O)N2CCCC2)N=C2S[C@@H](c3ccccc3)C=C12 O=C(N1CCCC1)[*:1] O=C1N=C(N=C2S[C@H](C=C12)c1ccccc1)C(=Cc1ccc2OCCOc2c1)[*:1]
COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C(=S)N2NC(=O)c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(NN1C(=S)N(C(=O)C[C@H]1C(=O)N[*:1])c1ccc(F)cc1)c1ccccc1
COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C(=S)N2NC(=O)c2ccccc2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C(=S)N1NC(=O)c1ccccc1)[*:1]
COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C(=S)N2NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C(=S)N1NC(=O)[*:1])c1ccc(F)cc1
COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C(=S)N2NC(=O)c2ccccc2)c1 COc1cccc(c1)NC(=O)[*:1] O=C(NN1C(=S)N(C(=O)C[C@H]1[*:1])c1ccc(F)cc1)c1ccccc1
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(Br)s1 CCC(CC)[*:1] O=C(NNC(=O)c1ccc(Br)s1)C(=O)N[*:1]
CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] CCC(CC)NC(=O)C(=O)NNC(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)cc1C COc1ccc(cc1C)[*:1] O=C1NC2(CCN(CC2)S(=O)(=O)[*:1])C(=O)N1Cc1ccccc1
COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)cc1C c1ccc(cc1)[*:1] COc1ccc(cc1C)S(=O)(=O)N1CCC2(CC1)NC(=O)N(C[*:1])C2=O
COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)cc1C c1ccc(cc1)C[*:1] COc1ccc(cc1C)S(=O)(=O)N1CCC2(CC1)NC(=O)N(C2=O)[*:1]
Cc1cccc(N2C(=O)[C@@H]3[C@H](CC4=c5ccccc5=[NH+]C4)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)c1 Cc1cccc(c1)[*:1] O=C1[C@@H]2[C@H](CC3C[NH+]=c4ccccc4=3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1[*:1]
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1C Cc1ccc(cc1)[*:1] COc1ccc(/C=C(/C#N)C(=O)N[*:1])cc1C
COc1ccc(C2=C[C@@H]([C@@H]3NN[C@H](SCC(=O)Nc4cccc(F)c4)N3N)N=N2)cc1 COc1ccc(cc1)[*:1] NN1[C@H](NN[C@H]1[C@@H]1C=C(N=N1)[*:1])SCC(=O)Nc1cccc(F)c1
COc1ccc(C2=C[C@@H]([C@@H]3NN[C@H](SCC(=O)Nc4cccc(F)c4)N3N)N=N2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)C1=C[C@H](N=N1)[C@@H]1NN[C@H](SCC(=O)N[*:1])N1N
COc1ccc(C2=C[C@@H]([C@@H]3NN[C@H](SCC(=O)Nc4cccc(F)c4)N3N)N=N2)cc1 O=C(Nc1cccc(F)c1)[*:1] COc1ccc(cc1)C1=C[C@H](N=N1)[C@@H]1NN[C@H](SC[*:1])N1N
CCCn1nc(C(=O)Nc2ccc(Cl)cn2)ccc1=O CCC[*:1] O=C(Nc1ccc(Cl)cn1)c1ccc(=O)n(n1)[*:1]
Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1 Cc1cc(C)cc(c1)O[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1nnc(o1)-c1ccco1
Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1 c1coc(c1)[*:1] Cc1cc(C)cc(c1)OCC(=O)Nc1ccc(cc1)-c1nnc(o1)[*:1]
Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)-c1nnc(o1)-c1ccco1
C[NH+]1CCN(c2nc3ccccn3c(=O)c2C=C(C#N)C#N)CC1 N#CC(C#N)=C[*:1] C[NH+]1CCN(CC1)c1nc2ccccn2c(=O)c1[*:1]
CCOc1cccc(C(=O)Nc2c(C)cc3nc(NN=C(C)C)sc3c2C)c1 CCOc1cccc(c1)[*:1] CC(C)=NNc1nc2cc(C)c(NC(=O)[*:1])c(C)c2s1
CCOc1cccc(C(=O)Nc2c(C)cc3nc(NN=C(C)C)sc3c2C)c1 CC(C)=NN[*:1] CCOc1cccc(c1)C(=O)Nc1c(C)cc2nc(sc2c1C)[*:1]
CCOc1cccc(C(=O)Nc2c(C)cc3nc(NN=C(C)C)sc3c2C)c1 CCO[*:1] CC(C)=NNc1nc2cc(C)c(NC(=O)c3cccc(c3)[*:1])c(C)c2s1
Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)CCC(=O)NC(C)C)n1 CC(C)[*:1] Cc1ccccc1-c1noc(n1)[C@@H](C)S(=O)(=O)CCC(=O)N[*:1]
Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)CCC(=O)NC(C)C)n1 CC(C)NC(=O)C[*:1] Cc1ccccc1-c1noc(n1)[C@@H](C)S(=O)(=O)C[*:1]
Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)CCC(=O)NC(C)C)n1 Cc1ccccc1[*:1] CC(C)NC(=O)CCS(=O)(=O)[C@H](C)c1nc(no1)[*:1]
Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)CCC(=O)NC(C)C)n1 CC(C)NC(=O)CC[*:1] Cc1ccccc1-c1noc(n1)[C@@H](C)S(=O)(=O)[*:1]
Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)CCC(=O)NC(C)C)n1 CC(C)NC(=O)[*:1] Cc1ccccc1-c1noc(n1)[C@@H](C)S(=O)(=O)CC[*:1]
CC(C)Cc1ccc(CN[C@H]2CCC(=O)N(C)C2=O)cc1 CC(C)[*:1] CN1C(=O)CC[C@H](NCc2ccc(cc2)C[*:1])C1=O
CC(C)Cc1ccc(CN[C@H]2CCC(=O)N(C)C2=O)cc1 CC(C)C[*:1] CN1C(=O)CC[C@H](NCc2ccc(cc2)[*:1])C1=O
CCCOc1cc(CN2CC[S@](=O)C(C)(C)C2)ccc1OC CCC[*:1] COc1ccc(cc1O[*:1])CN1CC[S@](=O)C(C)(C)C1
CCCOc1cc(CN2CC[S@](=O)C(C)(C)C2)ccc1OC CCCO[*:1] COc1ccc(cc1[*:1])CN1CC[S@](=O)C(C)(C)C1
O=C(c1ccnc(Cl)c1)N1CCc2c(cccc2N2CCOC2=O)C1 Clc1cc(ccn1)[*:1] O=C1OCCN1c1cccc2CN(CCc21)C(=O)[*:1]
O=C(c1ccnc(Cl)c1)N1CCc2c(cccc2N2CCOC2=O)C1 O=C1OCCN1[*:1] O=C(c1ccnc(Cl)c1)N1CCc2c(cccc2[*:1])C1
CN1CCO[C@@H](C(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1 O=c1ccccn1[*:1] CN1CCO[C@H](C1)C(=O)NCc1ccc(cc1)C[*:1]
CN1CCO[C@@H](C(=O)NCc2ccc(Cn3ccccc3=O)cc2)C1 O=c1ccccn1C[*:1] CN1CCO[C@H](C1)C(=O)NCc1ccc(cc1)[*:1]
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)Cc1ccc2OCCc2c1
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)Cc1ccc2OCCc2c1
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 c1cc2OCCc2cc1[*:1] O=C(COc1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 Clc1ccc(cc1)OC[*:1] O=C(N1CCN(CC1)Cc1ccc2OCCc2c1)[*:1]
CCN[C@H](c1ccc2c(c1)C[C@H](C)O2)C(F)(F)C(F)F FC(F)[*:1] CCN[C@H](c1ccc2O[C@@H](C)Cc2c1)C(F)(F)[*:1]
CCN[C@H](c1ccc2c(c1)C[C@H](C)O2)C(F)(F)C(F)F FC(F)C(F)(F)[*:1] CCN[C@H](c1ccc2O[C@@H](C)Cc2c1)[*:1]
CCN[C@H](c1ccc2c(c1)C[C@H](C)O2)C(F)(F)C(F)F CCN[*:1] C[C@H]1Cc2cc(ccc2O1)[C@H](C(F)(F)C(F)F)[*:1]
Cc1cnc(-c2cccc(NC(=O)N3CC[C@@H](C)[C@@H](O)C3)c2)o1 Cc1cnc(o1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1cccc(c1)[*:1]
CC(C)C(=O)N[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl CC(C)C(=O)N[*:1] O=S1(=O)CC[C@@H](C1)[NH2+][C@@H](C(Cl)(Cl)Cl)[*:1]
CC(C)C(=O)N[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl CC(C)[*:1] O=C(N[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl)[*:1]
CC(C)C(=O)N[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CC(C)C(=O)N[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)[*:1]
CCCc1nc(CNc2ccc(Cl)cc2[C@H](O)c2ccccc2)no1 O[C@H](c1ccccc1)[*:1] CCCc1nc(CNc2ccc(Cl)cc2[*:1])no1
CCCc1nc(CNc2ccc(Cl)cc2[C@H](O)c2ccccc2)no1 CCCc1nc(no1)[*:1] O[C@H](c1ccccc1)c1cc(Cl)ccc1NC[*:1]
CCCc1nc(CNc2ccc(Cl)cc2[C@H](O)c2ccccc2)no1 c1ccc(cc1)[*:1] CCCc1nc(CNc2ccc(Cl)cc2[C@H](O)[*:1])no1
CCCc1nc(CNc2ccc(Cl)cc2[C@H](O)c2ccccc2)no1 CCC[*:1] O[C@H](c1ccccc1)c1cc(Cl)ccc1NCc1noc(n1)[*:1]
CC[C@@H](c1nc2c3c(C)c(C)n(-c4ccc(F)cc4)c3ncn2n1)N1C(=O)c2ccccc2C1=O Fc1ccc(cc1)[*:1] CC[C@@H](c1nc2c3c(C)c(C)n(c3ncn2n1)[*:1])N1C(=O)c2ccccc2C1=O
CC[C@@H](c1nc2c3c(C)c(C)n(-c4ccc(F)cc4)c3ncn2n1)N1C(=O)c2ccccc2C1=O O=C1c2ccccc2C(=O)N1[*:1] CC[C@@H](c1nc2c3c(C)c(C)n(-c4ccc(F)cc4)c3ncn2n1)[*:1]
FC(F)(F)c1cc(N[C@@H]2CCC[NH2+]C2)nc(Cl)n1 FC(F)(F)[*:1] Clc1nc(cc(n1)[*:1])N[C@@H]1CCC[NH2+]C1
CC(C)C[C@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C)C1 CC(C)C[*:1] C[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](C1)[*:1]
CC(C)C[C@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C)C1 CC(C)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](C1)C[*:1]
C#CCN/C(NCc1cn2c(C)cccc2[nH+]1)=[NH+]/CC C#CC[*:1] CC/[NH+]=C(\NCc1cn2c(C)cccc2[nH+]1)N[*:1]
Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1cc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)n(n1)[*:1]
Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1nc(cc1NC(=O)C1C[C@H](C)O[C@@H](C)C1)[*:1]
CC(=O)c1ccc(N(Cc2nc(C)c(C)o2)S(C)(=O)=O)cc1 Cc1nc(oc1C)[*:1] CC(=O)c1ccc(cc1)N(C[*:1])S(C)(=O)=O
CC(=O)c1ccc(N(Cc2nc(C)c(C)o2)S(C)(=O)=O)cc1 CC(=O)[*:1] Cc1nc(CN(c2ccc(cc2)[*:1])S(C)(=O)=O)oc1C
O=C(NNC(=O)c1cccc(F)c1)C(=O)N1CCOCC1 Fc1cccc(c1)[*:1] O=C(NNC(=O)[*:1])C(=O)N1CCOCC1
Cn1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc2c(Cl)cccc21 O=S1(=O)CC[C@H](C1)[*:1] Cn1c(cc2c(Cl)cccc21)C(=O)N[*:1]
CCC(=O)N1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2C[C@H]1C(=O)[O-] O=C([O-])[*:1] CCC(=O)N1c2ccc(cc2C[C@@H]1[*:1])S(=O)(=O)N1CCC(C)CC1
CC[NH+]1CCN([C@@H](C)CNC(=O)C2(c3cccc(F)c3)CCCC2)CC1 Fc1cccc(c1)[*:1] CC[NH+]1CCN(CC1)[C@@H](C)CNC(=O)C1(CCCC1)[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(CNC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1F)N[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(C)c1 Fc1ccc(c(F)c1)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)C2CCN(CC2)C(=O)[*:1])c(C)c1
CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(F)cc2)n[nH]1 Fc1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)CSc1nc(n[nH]1)[*:1]
O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc(C(F)(F)F)c1)CCCC3 FC(F)(F)[*:1] O=c1c2c3CCCCc3sc2[nH]c(=S)n1-c1cccc(c1)[*:1]
CN(C(=O)Cn1ncc2ccccc21)C1CCS(=O)CC1 O=S1CCC(CC1)[*:1] CN(C(=O)Cn1ncc2ccccc21)[*:1]
[NH3+][C@@H](CC1CCCCC1)c1cccc(C(F)(F)F)c1F C1CCC(CC1)[*:1] [NH3+][C@@H](C[*:1])c1cccc(c1F)C(F)(F)F
[NH3+][C@@H](CC1CCCCC1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] [NH3+][C@@H](CC1CCCCC1)c1cccc(c1F)[*:1]
CCc1nn(C)cc1CNCC(C)(C)c1ccccc1F Fc1ccccc1[*:1] CCc1nn(C)cc1CNCC(C)(C)[*:1]
CCC(=O)CN1CCOCC1=O CCC(=O)[*:1] O=C1COCCN1C[*:1]
CCc1noc(C)c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] CCc1noc(C)c1C(=O)Nc1ccc(Cl)c(c1)[*:1]
CCc1noc(C)c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 CCc1noc(C)c1[*:1] O=C(Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCCCC1)[*:1]
COc1ccc(CC[NH3+])cc1-c1ccc(C(N)=O)cc1 NC(=O)[*:1] COc1ccc(cc1-c1ccc(cc1)[*:1])CC[NH3+]
COc1ccc(CC[NH3+])cc1-c1ccc(C(N)=O)cc1 [NH3+]CC[*:1] COc1ccc(cc1-c1ccc(cc1)C(N)=O)[*:1]
CCCCN1C([O-])=C(C(=O)/N=c2\[nH]c3ccc(C)cc3s2)[C@@H](O)c2ccccc21 CCC[*:1] Cc1ccc2[nH]/c(=N\C(=O)C3=C([O-])N(C[*:1])c4ccccc4[C@@H]3O)sc2c1
CCCCN1C([O-])=C(C(=O)/N=c2\[nH]c3ccc(C)cc3s2)[C@@H](O)c2ccccc21 CCCC[*:1] Cc1ccc2[nH]/c(=N\C(=O)C3=C([O-])N(c4ccccc4[C@@H]3O)[*:1])sc2c1
CCCS(=O)(=O)CCN1CCc2cc(Cl)cc(Cl)c2C1 CCCS(=O)(=O)[*:1] Clc1cc(Cl)c2CN(CCc2c1)CC[*:1]
CCCS(=O)(=O)CCN1CCc2cc(Cl)cc(Cl)c2C1 CCC[*:1] O=S(=O)(CCN1CCc2cc(Cl)cc(Cl)c2C1)[*:1]
Cc1ccc(-c2cc(CNC(=O)COc3cccc(C)c3C)on2)cc1 Cc1cccc(c1C)[*:1] Cc1ccc(cc1)-c1cc(CNC(=O)CO[*:1])on1
Cc1ccc(-c2cc(CNC(=O)COc3cccc(C)c3C)on2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(OCC(=O)NCc2cc(no2)[*:1])c1C
Cc1noc([C@H]2CCCN(Cc3ccccc3OCC(F)(F)F)C2)n1 Cc1noc(n1)[*:1] FC(F)(F)COc1ccccc1CN1CCC[C@@H](C1)[*:1]
Cc1noc([C@H]2CCCN(Cc3ccccc3OCC(F)(F)F)C2)n1 FC(F)(F)CO[*:1] Cc1noc(n1)[C@H]1CCCN(Cc2ccccc2[*:1])C1
Cc1noc([C@H]2CCCN(Cc3ccccc3OCC(F)(F)F)C2)n1 FC(F)(F)[*:1] Cc1noc(n1)[C@H]1CCCN(Cc2ccccc2OC[*:1])C1
Cc1noc([C@H]2CCCN(Cc3ccccc3OCC(F)(F)F)C2)n1 FC(F)(F)C[*:1] Cc1noc(n1)[C@H]1CCCN(Cc2ccccc2O[*:1])C1
Cc1nn(C)c(C)c1C(=O)C(=O)NC1(c2ccc(F)cc2F)CCCC1 Cc1nn(C)c(C)c1[*:1] O=C(NC1(CCCC1)c1ccc(F)cc1F)C(=O)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)NC1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)NC1(CCCC1)[*:1]
Cc1cc(C)cc([C@@H]2C[NH+]=C(N)N2c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] Cc1cc(C)cc(c1)[C@@H]1C[NH+]=C(N)N1[*:1]
COc1ccc(Cl)cc1NC(=O)C(=O)NCC[C@H](O)C(C)(C)C CC(C)(C)[*:1] COc1ccc(Cl)cc1NC(=O)C(=O)NCC[C@H](O)[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccsc1 c1cc(cs1)[*:1] COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)N[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1ccsc1 COC(=O)[*:1] O=C(Nc1ccsc1)N[C@@H]1CCCCC[C@H]1[*:1]
COc1ccc2nc(Cl)c([C@@H]3CC(c4ccco4)=NN3S(=O)(=O)c3ccccc3)cc2c1 c1ccc(cc1)[*:1] COc1ccc2nc(Cl)c(cc2c1)[C@@H]1CC(=NN1S(=O)(=O)[*:1])c1ccco1
COc1ccc2nc(Cl)c([C@@H]3CC(c4ccco4)=NN3S(=O)(=O)c3ccccc3)cc2c1 c1coc(c1)[*:1] COc1ccc2nc(Cl)c(cc2c1)[C@@H]1CC(=NN1S(=O)(=O)c1ccccc1)[*:1]
CCOc1ccccc1/C=C/C(=O)Nc1cccc(OC)c1 CCO[*:1] COc1cccc(c1)NC(=O)/C=C/c1ccccc1[*:1]
COC(=O)[C@]1(c2ccccc2)N[C@H](CCn2cccn2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 c1cnn(c1)[*:1] COC(=O)[C@@]1(N[C@H](CC[*:1])[C@@H]2C(=O)N(C)C(=O)[C@@H]21)c1ccccc1
COC(=O)[C@]1(c2ccccc2)N[C@H](CCn2cccn2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 c1cnn(c1)C[*:1] COC(=O)[C@@]1(N[C@H](C[*:1])[C@@H]2C(=O)N(C)C(=O)[C@@H]21)c1ccccc1
COC(=O)[C@]1(c2ccccc2)N[C@H](CCn2cccn2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 COC(=O)[*:1] CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](CCn1cccn1)N[C@]2(c1ccccc1)[*:1]
COC(=O)[C@]1(c2ccccc2)N[C@H](CCn2cccn2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 c1cnn(c1)CC[*:1] COC(=O)[C@@]1(N[C@H]([C@@H]2C(=O)N(C)C(=O)[C@@H]21)[*:1])c1ccccc1
COC(=O)[C@]1(c2ccccc2)N[C@H](CCn2cccn2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 c1ccc(cc1)[*:1] COC(=O)[C@@]1(N[C@H](CCn2cccn2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21)[*:1]
O=C(/N=C(/[N-]Cc1ccncc1)Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(/N=C(/[N-]Cc1ccncc1)Nc1cccc(c1)C(F)(F)F)[*:1]
O=C(/N=C(/[N-]Cc1ccncc1)Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1 c1cc(ccn1)[*:1] O=C(/N=C(/[N-]C[*:1])Nc1cccc(c1)C(F)(F)F)c1cccc(F)c1
O=C(/N=C(/[N-]Cc1ccncc1)Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1 FC(F)(F)[*:1] O=C(/N=C(/[N-]Cc1ccncc1)Nc1cccc(c1)[*:1])c1cccc(F)c1
O=C(/N=C(/[N-]Cc1ccncc1)Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(/N=C(/[N-]Cc1ccncc1)N[*:1])c1cccc(F)c1
CC1(C)COC(CCCC(=O)c2ccc([N+](=O)[O-])cc2)OC1 O=[N+]([O-])[*:1] CC1(C)COC(CCCC(=O)c2ccc(cc2)[*:1])OC1
CC[NH2+][C@@H](CO)c1ccccc1C1CC1 C1CC1[*:1] CC[NH2+][C@@H](CO)c1ccccc1[*:1]
CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)[C@H](C)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(C(=O)[C@@H]1CC(=O)N(C1)c1ccccc1Cl)[C@H](C)[*:1]
CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)[C@H](C)c1cccc(OC)c1 Clc1ccccc1[*:1] CCN(C(=O)[C@@H]1CC(=O)N(C1)[*:1])[C@H](C)c1cccc(c1)OC
C[C@](O)(CNC(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1 Clc1cccc(c1)[*:1] C[C@](O)(CNC(=O)C[*:1])c1ccc(F)cc1
C[C@](O)(CNC(=O)Cc1cccc(Cl)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)Cc1cccc(Cl)c1)[*:1]
Cc1cc(C(=O)NN(C)c2ccccc2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(C(=O)NN(C)[*:1])c(C)o1
CC(=O)Nc1nc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cs1 CC(=O)N[*:1] C[C@@](O)(CNC(=O)c1csc(n1)[*:1])c1ccc(F)cc1
CC(=O)Nc1nc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] CC(=O)Nc1nc(cs1)C(=O)NC[C@@](C)(O)[*:1]
c1nsnc1C[NH2+]C1CC1 C1CC1[*:1] c1nsnc1C[NH2+][*:1]
CC[NH+](CC(=O)NNc1cc(C#N)cc(Cl)n1)C1CC1 C1CC1[*:1] CC[NH+](CC(=O)NNc1cc(C#N)cc(Cl)n1)[*:1]
Cc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3CCCCN3S(C)(=O)=O)nc12 CS(=O)(=O)N1CCCC[C@H]1[*:1] Cc1ccc(C)c2sc(nc12)N(C[C@@H]1CCCO1)C(=O)[*:1]
Cc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3CCCCN3S(C)(=O)=O)nc12 C1CO[C@@H](C1)C[*:1] Cc1ccc(C)c2sc(nc12)N(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)[*:1]
Cc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3CCCCN3S(C)(=O)=O)nc12 C1CO[C@@H](C1)[*:1] Cc1ccc(C)c2sc(nc12)N(C[*:1])C(=O)[C@@H]1CCCCN1S(C)(=O)=O
Cc1ccc2c(c1)S[C@H](NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1)N2 c1ccc(cc1)[*:1] Cc1ccc2N[C@@H](NC(=O)CSc3n[nH]c(=O)n3C[*:1])Sc2c1
Cc1ccc2c(c1)S[C@H](NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1)N2 c1ccc(cc1)C[*:1] Cc1ccc2N[C@@H](NC(=O)CSc3n[nH]c(=O)n3[*:1])Sc2c1
C[C@H](Cc1cccs1)N(C)c1ccc(C=O)cc1[N+](=O)[O-] c1csc(c1)[*:1] C[C@H](C[*:1])N(C)c1ccc(C=O)cc1[N+](=O)[O-]
C[C@H](Cc1cccs1)N(C)c1ccc(C=O)cc1[N+](=O)[O-] c1csc(c1)C[*:1] C[C@H](N(C)c1ccc(C=O)cc1[N+](=O)[O-])[*:1]
C[C@H](Cc1cccs1)N(C)c1ccc(C=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](Cc1cccs1)N(C)c1ccc(C=O)cc1[*:1]
Cc1cc2c(cc1/C=C1/SC(=O)N(c3ccccc3)C1=O)OCO2 c1ccc(cc1)[*:1] Cc1cc2OCOc2cc1/C=C1/SC(=O)N(C1=O)[*:1]
Clc1ccc([C@@H]2CC[NH2+]C[C@H]2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Clc1ccc(cc1)[C@@H]1CC[NH2+]C[C@H]1C[*:1]
Cc1nc2c(Br)cc(S(=O)(=O)C(F)(F)F)cc2[nH]1 FC(F)(F)[*:1] Cc1nc2c(Br)cc(cc2[nH]1)S(=O)(=O)[*:1]
CN(CCC1CCCCC1)C(=O)CNC(=O)OC(C)(C)C C1CCC(CC1)C[*:1] CN(C[*:1])C(=O)CNC(=O)OC(C)(C)C
CN(CCC1CCCCC1)C(=O)CNC(=O)OC(C)(C)C CC(C)(C)[*:1] CN(CCC1CCCCC1)C(=O)CNC(=O)O[*:1]
CN(CCC1CCCCC1)C(=O)CNC(=O)OC(C)(C)C C1CCC(CC1)[*:1] CN(CC[*:1])C(=O)CNC(=O)OC(C)(C)C
CCn1nc(C)c(NC(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)c1C Fc1ccc(c(F)c1)[*:1] CCn1nc(C)c(NC(=O)N[C@@H](C(C)C)[*:1])c1C
CCn1nc(C)c(NC(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)c1C CC(C)[*:1] CCn1nc(C)c(NC(=O)N[C@@H](c2ccc(F)cc2F)[*:1])c1C
FC(F)n1ccnc1CN1CCN(Cc2c(Cl)nc3sccn23)CC1 FC(F)n1ccnc1[*:1] Clc1nc2sccn2c1CN1CCN(CC1)C[*:1]
FC(F)n1ccnc1CN1CCN(Cc2c(Cl)nc3sccn23)CC1 FC(F)[*:1] Clc1nc2sccn2c1CN1CCN(CC1)Cc1nccn1[*:1]
CCOCC(=O)N[C@H](C)c1cccc(Br)c1 CCOC[*:1] C[C@@H](NC(=O)[*:1])c1cccc(Br)c1
CCOCC(=O)N[C@H](C)c1cccc(Br)c1 CCO[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(Br)c1
O=C(CCCc1cn[nH]c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 c1n[nH]cc1[*:1] O=C(CCC[*:1])N1CCC[C@@H](CCc2ccc(F)cc2)C1
O=C(CCCc1cn[nH]c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 c1n[nH]cc1CC[*:1] O=C(C[*:1])N1CCC[C@@H](CCc2ccc(F)cc2)C1
O=C(CCCc1cn[nH]c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 c1n[nH]cc1C[*:1] O=C(CC[*:1])N1CCC[C@@H](CCc2ccc(F)cc2)C1
O=C(CCCc1cn[nH]c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(CCCc1cn[nH]c1)N1CCC[C@@H](CC[*:1])C1
O=C(CCCc1cn[nH]c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 c1n[nH]cc1CCC[*:1] O=C(N1CCC[C@@H](CCc2ccc(F)cc2)C1)[*:1]
O=C(CCCc1cn[nH]c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] O=C(CCCc1cn[nH]c1)N1CCC[C@H](C1)C[*:1]
COc1cccc2c1cc(C(=O)Nc1ccc(C(C)=O)cc1)n2C CC(=O)[*:1] COc1cccc2c1cc(C(=O)Nc1ccc(cc1)[*:1])n2C
O=C(Nc1ccc(-c2ccccc2)nn1)N1CCC[C@@H]1CN1CCOCC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(nn1)[*:1])N1CCC[C@@H]1CN1CCOCC1
O=C(Nc1ccc(-c2ccccc2)nn1)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(Nc1ccc(nn1)-c1ccccc1)N1CCC[C@@H]1C[*:1]
O=C(Nc1ccc(-c2ccccc2)nn1)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(Nc1ccc(nn1)-c1ccccc1)N1CCC[C@H]1[*:1]
Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2CCOc3ccccc3C2)n1 FC(F)(F)[*:1] Cc1cc(nc(CCNC(=O)[C@@H]2CCOc3ccccc3C2)n1)[*:1]
Cc1n[nH]c(C)c1CCC(=O)Nc1nnc(CC(C)C)s1 CC(C)C[*:1] Cc1n[nH]c(C)c1CCC(=O)Nc1nnc(s1)[*:1]
Cc1n[nH]c(C)c1CCC(=O)Nc1nnc(CC(C)C)s1 Cc1n[nH]c(C)c1[*:1] CC(C)Cc1nnc(NC(=O)CC[*:1])s1
Cc1n[nH]c(C)c1CCC(=O)Nc1nnc(CC(C)C)s1 CC(C)[*:1] Cc1n[nH]c(C)c1CCC(=O)Nc1nnc(C[*:1])s1
Nc1ccccc1N1CC(C(=O)[O-])C1 O=C([O-])[*:1] Nc1ccccc1N1CC(C1)[*:1]
C[NH+](CCNC(=O)c1cnc(C(C)(C)C)s1)C1CC1 CC(C)(C)[*:1] C[NH+](CCNC(=O)c1cnc(s1)[*:1])C1CC1
C[NH+](CCNC(=O)c1cnc(C(C)(C)C)s1)C1CC1 C1CC1[*:1] C[NH+](CCNC(=O)c1cnc(s1)C(C)(C)C)[*:1]
Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c(F)cc1F C[S@](=O)C[*:1] Cc1cc(c(F)cc1F)S(=O)(=O)[N-]c1cccc(c1)[*:1]
COc1ccccc1N1CCN(C(=O)c2ccc(=O)n(Cc3cccc(F)c3)n2)CC1 Fc1cccc(c1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1ccc(=O)n(C[*:1])n1
COc1ccccc1N1CCN(C(=O)c2ccc(=O)n(Cc3cccc(F)c3)n2)CC1 COc1ccccc1[*:1] O=C(c1ccc(=O)n(Cc2cccc(F)c2)n1)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C(=O)c2ccc(=O)n(Cc3cccc(F)c3)n2)CC1 Fc1cccc(c1)C[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1ccc(=O)n(n1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)N[C@H]1CC(=O)N(C1)C1CC1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] C[C@H](c1ccccc1)N(C)C(=O)N[C@H]1CC(=O)N(C1)[*:1]
COCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 COCC(=O)N[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)[*:1]
COCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 COC[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)NC(=O)[*:1]
COCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COCC(=O)Nc1ccc(C)c(c1)S(=O)(=O)N[*:1]
Cc1nn(C(C)C)cc1-c1cnccc1C(=O)[O-] CC(C)[*:1] Cc1nn(cc1-c1cnccc1C(=O)[O-])[*:1]
Cc1nn(C(C)C)cc1-c1cnccc1C(=O)[O-] O=C([O-])[*:1] Cc1nn(cc1-c1cnccc1[*:1])C(C)C
C=CCN(CC(=O)[O-])C(=O)[C@@]1([NH3+])CCOC1 C=CC[*:1] [NH3+][C@@]1(CCOC1)C(=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])C(=O)[C@@]1([NH3+])CCOC1 O=C([O-])C[*:1] C=CCN(C(=O)[C@@]1([NH3+])CCOC1)[*:1]
C=CCN(CC(=O)[O-])C(=O)[C@@]1([NH3+])CCOC1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)[C@@]1([NH3+])CCOC1
COCCNC(=O)NC(=O)[C@@H](C)SCc1ccco1 c1coc(c1)C[*:1] COCCNC(=O)NC(=O)[C@@H](C)S[*:1]
COCCNC(=O)NC(=O)[C@@H](C)SCc1ccco1 c1coc(c1)[*:1] COCCNC(=O)NC(=O)[C@@H](C)SC[*:1]
COCCNC(=O)NC(=O)[C@@H](C)SCc1ccco1 COC[*:1] C[C@@H](SCc1ccco1)C(=O)NC(=O)NC[*:1]
COCCNC(=O)NC(=O)[C@@H](C)SCc1ccco1 COCC[*:1] C[C@@H](SCc1ccco1)C(=O)NC(=O)N[*:1]
CS[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CC(C)C[*:1] CS[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1OC[*:1]
CS[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CC(C)CC[*:1] CS[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1O[*:1]
CS[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CC(C)[*:1] CS[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1OCC[*:1]
CS[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CC(C)CCO[*:1] CS[C@H](C)C(=O)N[C@H]1CCCC[C@H]1[*:1]
CS[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C CS[C@H](C)[*:1] CC(C)CCO[C@H]1CCCC[C@@H]1NC(=O)[*:1]
Cc1noc(C)c1[C@@H](C)[NH2+]CCCS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1noc(C)c1[C@@H](C)[NH2+]CC[*:1]
Cc1noc(C)c1[C@@H](C)[NH2+]CCCS(C)(=O)=O CS(=O)(=O)[*:1] Cc1noc(C)c1[C@@H](C)[NH2+]CCC[*:1]
O=C(COc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] O=C(c1ccccc1OC[*:1])N1CCC(CC1)Cc1ccccc1
O=C(COc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1)Nc1ccccc1F c1ccc(cc1)C[*:1] O=C(COc1ccccc1C(=O)N1CCC(CC1)[*:1])Nc1ccccc1F
O=C(COc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1)Nc1ccccc1F c1ccc(cc1)[*:1] O=C(COc1ccccc1C(=O)N1CCC(CC1)C[*:1])Nc1ccccc1F
O=C(COc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1)Nc1ccccc1F O=C(C[*:1])Nc1ccccc1F O=C(c1ccccc1O[*:1])N1CCC(CC1)Cc1ccccc1
O=C(COc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(COc1ccccc1C(=O)N1CCC(CC1)Cc1ccccc1)N[*:1]
Cc1cc(Br)c(O)c(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 C1CC1[*:1] Cc1cc(Br)c(O)c(c1)C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(Br)c(O)c(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 O=S1(=O)CC[C@H](C1)[*:1] Cc1cc(Br)c(O)c(c1)C(=O)N(C1CC1)[*:1]
Cc1cc(SCC(=O)Nc2c(F)cccc2F)nc2ccccc12 Fc1cccc(F)c1[*:1] Cc1cc(nc2ccccc12)SCC(=O)N[*:1]
COCc1ccc([C@H]2C[NH+]=C(N)N2Cc2cccs2)cc1 COC[*:1] NC1=[NH+]C[C@H](c2ccc(cc2)[*:1])N1Cc1cccs1
COCc1ccc([C@H]2C[NH+]=C(N)N2Cc2cccs2)cc1 c1csc(c1)[*:1] COCc1ccc(cc1)[C@H]1C[NH+]=C(N)N1C[*:1]
COCc1ccc([C@H]2C[NH+]=C(N)N2Cc2cccs2)cc1 c1csc(c1)C[*:1] COCc1ccc(cc1)[C@H]1C[NH+]=C(N)N1[*:1]
CC(C)(C)[C@@H](O)[C@@]1(C[NH3+])CCOC1 CC(C)(C)[*:1] [NH3+]C[C@@]1(CCOC1)[C@H](O)[*:1]
C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2nc(-c3ccccc3)no2)o1 c1ccc(cc1)[*:1] C[C@H](Oc1ccc(F)cc1)c1nnc(o1)SCc1nc(no1)[*:1]
C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2nc(-c3ccccc3)no2)o1 Fc1ccc(cc1)[*:1] C[C@H](O[*:1])c1nnc(o1)SCc1nc(no1)-c1ccccc1
C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2nc(-c3ccccc3)no2)o1 Fc1ccc(cc1)O[*:1] C[C@H](c1nnc(o1)SCc1nc(no1)-c1ccccc1)[*:1]
C=CCNc1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1 C=CCN[*:1] Cc1nn(C)cc1-c1cc(nc(n1)[*:1])C(F)(F)F
C=CCNc1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1 FC(F)(F)[*:1] C=CCNc1nc(cc(n1)[*:1])-c1cn(C)nc1C
C=CCNc1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1 Cc1nn(C)cc1[*:1] C=CCNc1nc(cc(n1)[*:1])C(F)(F)F
C=CCNc1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1 C=CC[*:1] Cc1nn(C)cc1-c1cc(nc(n1)N[*:1])C(F)(F)F
COC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1 COC[C@@H](C)[*:1] N#C/C(=C\c1cc(Cl)cc(Cl)c1)C(=O)N[*:1]
COC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1 COC[*:1] C[C@@H](NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1)[*:1]
Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2[*:1]
Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(F)cc1 Cc1ccccc1[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@@H](C=21)c1ccc(F)cc1)[*:1]
CCOCc1ccccc1NC(=O)N[C@@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] CCOCc1ccccc1NC(=O)N[C@@H](C)[*:1]
CCOCc1ccccc1NC(=O)N[C@@H](C)c1c(C)noc1C CCOC[*:1] Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccccc1[*:1]
CCOCc1ccccc1NC(=O)N[C@@H](C)c1c(C)noc1C CCO[*:1] Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccccc1C[*:1]
O=C([C@H](Cl)S(=O)(=O)c1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@H](Cl)S(=O)(=O)[*:1])N1CCOCC1
O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCc1cscn1 c1nc(cs1)[*:1] O=C(CCC[NH+]1CCN(CC1)c1ccccc1)NC[*:1]
O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCc1cscn1 c1nc(cs1)C[*:1] O=C(CCC[NH+]1CCN(CC1)c1ccccc1)N[*:1]
O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCc1cscn1 c1ccc(cc1)[*:1] O=C(CCC[NH+]1CCN(CC1)[*:1])NCc1cscn1
Cc1cc(C)nc(N2CCC[C@@H](C(=O)N3CCN(CCc4ccccn4)CC3)C2)n1 c1ccc(nc1)[*:1] Cc1cc(C)nc(n1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)CC[*:1]
Cc1cc(C)nc(N2CCC[C@@H](C(=O)N3CCN(CCc4ccccn4)CC3)C2)n1 c1ccc(CC[*:1])nc1 Cc1cc(C)nc(n1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
Cc1cc(C)nc(N2CCC[C@@H](C(=O)N3CCN(CCc4ccccn4)CC3)C2)n1 c1ccc(C[*:1])nc1 Cc1cc(C)nc(n1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)C[*:1]
Cc1cc(C)nc(N2CCC[C@@H](C(=O)N3CCN(CCc4ccccn4)CC3)C2)n1 Cc1cc(C)nc(n1)[*:1] O=C([C@@H]1CCCN(C1)[*:1])N1CCN(CCc2ccccn2)CC1
CN(Cc1ccc(O)cc1)C(=O)Cn1cc(Br)ccc1=O Oc1ccc(cc1)[*:1] CN(C[*:1])C(=O)Cn1cc(Br)ccc1=O
C[C@@H](C(=O)/N=C1/NCCS1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)/N=C1/NCCS1)[*:1]
CSCC(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 CSC[*:1] CC(C)CNC(=O)c1ccc(cc1Cl)NC(=O)[*:1]
CSCC(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 CSCC(=O)N[*:1] CC(C)CNC(=O)c1ccc(cc1Cl)[*:1]
CSCC(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 CC(C)C[*:1] CSCC(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
CSCC(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 CC(C)[*:1] CSCC(=O)Nc1ccc(C(=O)NC[*:1])c(Cl)c1
CC(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)cs1 CC(=O)[*:1] O=C(c1ccc2ccccc2c1)[C@@H]1CCCN(C1)C(=O)c1csc(c1)[*:1]
CC(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)cs1 CC(=O)c1cc(cs1)[*:1] O=C(c1ccc2ccccc2c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC[C@]1(C(C)C)NC(=O)N(CCCc2ccccc2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CCC[*:1])C1=O)C(C)C
CC[C@]1(C(C)C)NC(=O)N(CCCc2ccccc2)C1=O CC(C)[*:1] CC[C@@]1(NC(=O)N(CCCc2ccccc2)C1=O)[*:1]
CC[C@]1(C(C)C)NC(=O)N(CCCc2ccccc2)C1=O c1ccc(cc1)C[*:1] CC[C@@]1(NC(=O)N(CC[*:1])C1=O)C(C)C
CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cs1 CCc1nc(cs1)[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])c1cccc(c1)N1CCCC1
CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)cs1 C1CCN(C1)[*:1] CCc1nc(cs1)[C@H](C)NC(=O)N[C@@H](C)c1cccc(c1)[*:1]
C[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C1CCCc2ccc(cc21)[N-]S(=O)(=O)C[*:1]
C[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CS(=O)(=O)[N-]c1ccc2CCCC(=O)c2c1)[*:1]
Cn1cc2c(C(F)(F)F)cc(N3CCC([NH3+])CC3)nc2n1 FC(F)(F)[*:1] Cn1cc2c(cc(nc2n1)N1CCC([NH3+])CC1)[*:1]
Cn1cc2c(C(F)(F)F)cc(N3CCC([NH3+])CC3)nc2n1 [NH3+]C1CCN(CC1)[*:1] Cn1cc2c(cc(nc2n1)[*:1])C(F)(F)F
COC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)c1 O=[N+]([O-])[*:1] COC(=O)c1ccc(c(c1)OCC(C)C)[*:1]
COC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)c1 CC(C)[*:1] COC(=O)c1ccc(c(c1)OC[*:1])[N+](=O)[O-]
COC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)c1 COC(=O)[*:1] CC(C)COc1cc(ccc1[N+](=O)[O-])[*:1]
COC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)c1 CC(C)CO[*:1] COC(=O)c1ccc(c(c1)[*:1])[N+](=O)[O-]
COC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)c1 CC(C)C[*:1] COC(=O)c1ccc(c(c1)O[*:1])[N+](=O)[O-]
C[C@@H]1N=NC=C1C(=O)NCc1ccc[nH+]c1N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]1N=NC=C1C(=O)NCc1ccc[nH+]c1[*:1]
COc1c(C(=O)CCC=[N+](C)C)c([O-])c(OC)c2occc12 C[N+](C)=C[*:1] COc1c(C(=O)CC[*:1])c([O-])c(OC)c2occc12
COc1c(C(=O)CCC=[N+](C)C)c([O-])c(OC)c2occc12 C[N+](C)=CC[*:1] COc1c(C(=O)C[*:1])c([O-])c(OC)c2occc12
COc1c(C(=O)CCC=[N+](C)C)c([O-])c(OC)c2occc12 C[N+](C)=CCC[*:1] COc1c(C(=O)[*:1])c([O-])c(OC)c2occc12
C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc2ccccc2c1 OCCC[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1ccc2ccccc2c1
C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc2ccccc2c1 OCC[*:1] C[C@@H](C[*:1])[NH2+][C@@H](C)c1ccc2ccccc2c1
CSCc1cccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)c1 CC(C)[*:1] CSCc1cccc(c1)C(=O)NC[C@@H]([NH+]1CCCCCC1)[*:1]
CSCc1cccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)c1 CSC[*:1] CC(C)[C@H](CNC(=O)c1cccc(c1)[*:1])[NH+]1CCCCCC1
NC(=O)c1cncc(N2CCC[C@@H](Oc3ccc(Cl)cn3)C2)n1 NC(=O)[*:1] Clc1ccc(nc1)O[C@@H]1CCCN(C1)c1cncc(n1)[*:1]
NC(=O)c1cncc(N2CCC[C@@H](Oc3ccc(Cl)cn3)C2)n1 Clc1ccc(nc1)[*:1] NC(=O)c1cncc(n1)N1CCC[C@H](C1)O[*:1]
Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])C(=O)Nc1cccnc1
Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2C)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)C(=O)N[*:1]
Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2C)cc1 O=C(Nc1cccnc1)[*:1] Cc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)[*:1]
C[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@H]1CCC[C@H](C1)NC(=O)c1ccc(Br)cc1[*:1]
CC1(C)CCCc2sc(C3([NH3+])CCC3)nc21 [NH3+]C1(CCC1)[*:1] CC1(C)CCCc2sc(nc21)[*:1]
O=[N+]([O-])c1ccc(/C=C/c2nc3ccccc3[nH]2)cc1 O=[N+]([O-])[*:1] C(=C/c1nc2ccccc2[nH]1)\c1ccc(cc1)[*:1]
O=C(COc1ccc2ccccc2c1)N1CCC(Cn2ccc3cccnc32)CC1 c1cnc2c(c1)ccn2C[*:1] O=C(COc1ccc2ccccc2c1)N1CCC(CC1)[*:1]
O=C(COc1ccc2ccccc2c1)N1CCC(Cn2ccc3cccnc32)CC1 c1ccc2cc(ccc2c1)[*:1] O=C(CO[*:1])N1CCC(CC1)Cn1ccc2cccnc21
O=C(COc1ccc2ccccc2c1)N1CCC(Cn2ccc3cccnc32)CC1 c1cnc2c(c1)ccn2[*:1] O=C(COc1ccc2ccccc2c1)N1CCC(CC1)C[*:1]
COCC[C@]1(C)CC(=O)NC(=O)[C@@H]1C COCC[*:1] C[C@H]1C(=O)NC(=O)C[C@]1(C)[*:1]
COCC[C@]1(C)CC(=O)NC(=O)[C@@H]1C COC[*:1] C[C@H]1C(=O)NC(=O)C[C@@]1(C)C[*:1]
O=C(Cl)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 O=C(Cl)[*:1] O=S(=O)(c1cc(ccc1F)[*:1])N1CCOCC1
CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 CCCC[*:1] Cc1ccc(cc1Cl)NC(=O)N1CCC(CC1)C(=O)N(C)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 CCCCN(C)C(=O)[*:1] Cc1ccc(cc1Cl)NC(=O)N1CCC(CC1)[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 Cc1ccc(cc1Cl)[*:1] CCCCN(C)C(=O)C1CCN(CC1)C(=O)N[*:1]
CCCCN(C)C(=O)C1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 CCC[*:1] Cc1ccc(cc1Cl)NC(=O)N1CCC(CC1)C(=O)N(C)C[*:1]
O=C(NCc1nncn1C1CC1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 C1CC1[*:1] O=C(NCc1nncn1[*:1])[C@@H]1CCCN(C1)C(=O)NC1CCCC1
O=C(NCc1nncn1C1CC1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 C1CCC(C1)[*:1] O=C(NCc1nncn1C1CC1)[C@@H]1CCCN(C1)C(=O)N[*:1]
O=C(NCc1nncn1C1CC1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 c1nnc(n1C1CC1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)C(=O)NC1CCCC1
O=C(C[NH+]1CCN(c2nccs2)CC1)N1CCC[C@H]2CCCC[C@@H]21 c1csc(n1)[*:1] O=C(C[NH+]1CCN(CC1)[*:1])N1CCC[C@H]2CCCC[C@@H]21
[NH3+]C1CC(OC(=O)Nc2ccccc2C(F)(F)F)C1 FC(F)(F)[*:1] [NH3+]C1CC(C1)OC(=O)Nc1ccccc1[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] O=C(Nc1cc(ccc1O)[N+](=O)[O-])c1cnn(c1)[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(Cc2ccccc2)c1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1O)[*:1])c1cnn(c1)Cc1ccccc1
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1cc(ccc1O)[N+](=O)[O-])c1cnn(c1)C[*:1]
Cc1noc(-c2ccc(SCC(=O)Nc3cccc(C)c3C)nc2)n1 Cc1noc(n1)[*:1] Cc1cccc(NC(=O)CSc2ccc(cn2)[*:1])c1C
Cc1noc(-c2ccc(SCC(=O)Nc3cccc(C)c3C)nc2)n1 Cc1cccc(c1C)[*:1] Cc1noc(n1)-c1ccc(nc1)SCC(=O)N[*:1]
CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccc(CC)cc5)no4)cnc32)cc1 CCO[*:1] CCc1ccc(cc1)-c1noc(Cn2cnc3c(nnn3-c3ccc(cc3)[*:1])c2=O)n1
CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccc(CC)cc5)no4)cnc32)cc1 CCc1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1nnc2c(=O)n(cnc21)Cc1nc(no1)[*:1]
CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccc(CC)cc5)no4)cnc32)cc1 CCOc1ccc(cc1)[*:1] CCc1ccc(cc1)-c1noc(Cn2cnc3c(nnn3[*:1])c2=O)n1
COc1ccc(Cc2noc(-c3cnn(-c4ccccc4)c3)n2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)Cc1noc(n1)-c1cnn(c1)[*:1]
COc1ccccc1CN(C)C(=O)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] COc1ccccc1CN(C)C(=O)c1ccc(cc1)[*:1]
COc1ccccc1CN(C)C(=O)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] COc1ccccc1CN(C)C(=O)c1ccc(cc1)C[*:1]
COc1ccccc1CN(C)C(=O)c1ccc(CN2CCCC2=O)cc1 COc1ccccc1[*:1] CN(C[*:1])C(=O)c1ccc(cc1)CN1CCCC1=O
Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)nc(C)n1 Cc1cc(nc(C)n1)[*:1] O=C(c1cccc(c1)C(F)(F)F)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)nc(C)n1 FC(F)(F)[*:1] Cc1cc(nc(C)n1)C(=O)N1CCC[C@H](C1)C(=O)c1cccc(c1)[*:1]
COc1ccc(-c2nc(SCC(C)C)nc([O-])c2C#N)cc1 CC(C)[*:1] COc1ccc(cc1)-c1nc(nc([O-])c1C#N)SC[*:1]
COc1ccc(-c2nc(SCC(C)C)nc([O-])c2C#N)cc1 CC(C)CS[*:1] COc1ccc(cc1)-c1nc(nc([O-])c1C#N)[*:1]
COc1ccc(-c2nc(SCC(C)C)nc([O-])c2C#N)cc1 CC(C)C[*:1] COc1ccc(cc1)-c1nc(nc([O-])c1C#N)S[*:1]
CC[C@H](COC)[NH2+][C@H]1CCCS[C@@H]1C COC[*:1] CC[C@H]([NH2+][C@H]1CCCS[C@@H]1C)[*:1]
CNc1ccc(S(=O)(=O)N[C@@H](C)c2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CNc1ccc(cc1)S(=O)(=O)N[C@@H](C)[*:1]
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)O[C@@H](C)[C@H]2CCCO2)cc1 Cc1ccc(cc1)C[*:1] C[C@H](OC(=O)[C@@H]1CCC(=O)N1[*:1])[C@H]1CCCO1
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)O[C@@H](C)[C@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] C[C@H](OC(=O)[C@@H]1CCC(=O)N1C[*:1])[C@H]1CCCO1
CC[NH2+][C@@H](c1cccc(C)n1)[C@H](C)CC CC[C@@H](C)[*:1] CC[NH2+][C@@H](c1cccc(C)n1)[*:1]
CN(C(=O)CCC(F)(F)F)[C@@H]1CCN(c2ccccc2Cl)C1=O FC(F)(F)[*:1] CN(C(=O)CC[*:1])[C@@H]1CCN(C1=O)c1ccccc1Cl
CN(C(=O)CCC(F)(F)F)[C@@H]1CCN(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] CN(C(=O)CCC(F)(F)F)[C@@H]1CCN(C1=O)[*:1]
CN(C(=O)CCC(F)(F)F)[C@@H]1CCN(c2ccccc2Cl)C1=O FC(F)(F)CC[*:1] CN(C(=O)[*:1])[C@@H]1CCN(C1=O)c1ccccc1Cl
CN(C(=O)CCC(F)(F)F)[C@@H]1CCN(c2ccccc2Cl)C1=O FC(F)(F)C[*:1] CN(C(=O)C[*:1])[C@@H]1CCN(C1=O)c1ccccc1Cl
Cc1ncsc1CNC(=O)c1ccncc1C#CCO Cc1ncsc1[*:1] O=C(NC[*:1])c1ccncc1C#CCO
Cc1ncsc1CNC(=O)c1ccncc1C#CCO OCC#C[*:1] Cc1ncsc1CNC(=O)c1ccncc1[*:1]
O=C(c1ccc2oc(=O)n(CC(=O)N3CCc4ccccc43)c2c1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(Cn1c(=O)oc2ccc(cc21)[*:1])N1CCc2ccccc21
Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)/C=C\c3ccc4c(c3)OCO4)s2)c1 c1cc2OCOc2cc1[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(NC(=O)C=C[*:1])s1
Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)/C=C\c3ccc4c(c3)OCO4)s2)c1 Cc1ccc(C)c(c1)[*:1] O=C(/C=C\c1ccc2OCOc2c1)Nc1nnc(SCC(=O)N[*:1])s1
O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(c1cc2CCc3ccccc3-c2s1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] O=C(c1cc2CCc3ccccc3-c2s1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 NNC(=O)[*:1] O=C(Cc1ccc(Cl)cc1)N1CCC[C@H](C1)[*:1]
COc1ccccc1-n1c(-c2ccc(F)cc2)coc1=O Fc1ccc(cc1)[*:1] COc1ccccc1-n1c(coc1=O)[*:1]
CC(=O)c1ccc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1 CC(=O)[*:1] Clc1cccc(CN2CCN(CC2)c2ccc(cc2)[*:1])c1Cl
CC(=O)c1ccc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1 Clc1cccc(c1Cl)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C[*:1]
COCCN(Cc1ccc2c(c1)OCO2)Cc1cnc2ncccn12 COCC[*:1] c1cnc2ncc(CN(Cc3ccc4OCOc4c3)[*:1])n2c1
COCCN(Cc1ccc2c(c1)OCO2)Cc1cnc2ncccn12 COC[*:1] c1cnc2ncc(CN(Cc3ccc4OCOc4c3)C[*:1])n2c1
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C1/C[C@@H](c2ccc(O)cc2)Sc2ccccc2N1 Clc1cccc(c1)[*:1] O=C1NC(=O)N(C(=O)/C1=C1/C[C@H](Sc2ccccc2N1)c1ccc(O)cc1)[*:1]
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C1/C[C@@H](c2ccc(O)cc2)Sc2ccccc2N1 Oc1ccc(cc1)[*:1] O=C1NC(=O)N(C(=O)/C1=C1/C[C@@H](Sc2ccccc2N1)[*:1])c1cccc(Cl)c1
C[C@@H]1CO[C@@H](CO)CN1C(=O)C(C)(C)Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H]1CO[C@@H](CO)CN1C(=O)C(C)(C)C[*:1]
COc1nccc(N2C[C@@H](C)[C@](O)(C(C)C)C2)c1C#N CC(C)[*:1] COc1nccc(c1C#N)N1C[C@@H](C)[C@](O)(C1)[*:1]
O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=CN21 c1ccc(cc1)[*:1] O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H](C(=O)[*:1])N1C=CC=C[C@H]21
O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=CN21 Brc1ccc(cc1)[*:1] O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@H]2C=CC=CN21)[*:1]
O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=CN21 O=C(c1ccccc1)[*:1] O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@@H](N1C=CC=C[C@H]21)[*:1]
CC(C)N1C[C@@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)CC1=O CC(C)[*:1] O=C(NC1CCN(CC1)C(=O)Nc1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
CC(C)N1C[C@@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)CC1=O c1ccc(cc1)[*:1] CC(C)N1C[C@H](CC1=O)C(=O)NC1CCN(CC1)C(=O)N[*:1]
CC(=O)Nc1ccc(CC(=O)Nc2ccc(Cl)cc2Cl)cc1 CC(=O)N[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccc(Cl)cc1Cl
C[C@@](O)(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 FC(F)(F)O[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)[*:1])c1cccs1
C[C@@](O)(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 FC(F)(F)[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)O[*:1])c1cccs1
C[C@@](O)(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)OC(F)(F)F)[*:1]
O=C([C@@H]1CCCN1C(=O)Nc1ccccc1Cc1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@@H]1CCCN1C(=O)Nc1ccccc1C[*:1])N1CCOCC1
O=C([C@@H]1CCCN1C(=O)Nc1ccccc1Cc1ccccc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccccc1Cc1ccccc1)N1CCC[C@H]1[*:1]
O=C([C@@H]1CCCN1C(=O)Nc1ccccc1Cc1ccccc1)N1CCOCC1 c1ccc(cc1)C[*:1] O=C([C@@H]1CCCN1C(=O)Nc1ccccc1[*:1])N1CCOCC1
C/C(=N\O)c1cc(F)ccc1OCc1ccn(C(C)C)n1 CC(C)[*:1] C/C(=N\O)c1cc(F)ccc1OCc1ccn(n1)[*:1]
C/C(=N\O)c1cc(F)ccc1OCc1ccn(C(C)C)n1 CC(=NO)[*:1] CC(C)n1ccc(COc2ccc(F)cc2[*:1])n1
CC(C)C(=O)/C(C#N)=c1\s/c(=C/c2c(Cl)cccc2Cl)c(=O)n1C CC(C)C(=O)[*:1] Cn1c(=O)/c(=C\c2c(Cl)cccc2Cl)sc1=C(C#N)[*:1]
CC(C)C(=O)/C(C#N)=c1\s/c(=C/c2c(Cl)cccc2Cl)c(=O)n1C CC(C)[*:1] Cn1c(=O)/c(=C\c2c(Cl)cccc2Cl)s/c1=C(/C#N)C(=O)[*:1]
CC(C)C(=O)/C(C#N)=c1\s/c(=C/c2c(Cl)cccc2Cl)c(=O)n1C Clc1cccc(Cl)c1[*:1] CC(C)C(=O)/C(C#N)=c1\sc(=C[*:1])c(=O)n1C
C[NH2+]CCc1ccccc1C1CC1 C1CC1[*:1] C[NH2+]CCc1ccccc1[*:1]
N#CCCn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] N#CCCn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)c(n1)[*:1]
N#CCCn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)c(-c2ccccc2)n1 N#CC[*:1] O=S1(=O)CC[C@@H](C1)[NH2+]Cc1cn(C[*:1])nc1-c1ccccc1
N#CCCn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)c(-c2ccccc2)n1 N#CCC[*:1] O=S1(=O)CC[C@@H](C1)[NH2+]Cc1cn(nc1-c1ccccc1)[*:1]
Cc1nc(-c2cccc(CNC(=O)CCN3CCCC3=O)c2)n[nH]1 O=C1CCCN1[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)CC[*:1]
Cc1nc(-c2cccc(CNC(=O)CCN3CCCC3=O)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(CCN1CCCC1=O)NCc1cccc(c1)[*:1]
Cc1nc(-c2cccc(CNC(=O)CCN3CCCC3=O)c2)n[nH]1 O=C1CCCN1C[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)C[*:1]
Cc1nc(-c2cccc(CNC(=O)CCN3CCCC3=O)c2)n[nH]1 O=C1CCCN1CC[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 Cc1ccn(C)c(=O)c1[*:1] O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 c1coc(c1)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(C[NH+]6CCCCC6)o5)nc34)c12 FC(F)[*:1] Cc1cc(nc2sc3c(ncn4nc(nc34)-c3ccc(C[NH+]4CCCCC4)o3)c12)[*:1]
CCc1cnc(CN(C)C(=O)C2=Cc3ccccc3OC2)s1 CCc1cnc(s1)[*:1] CN(C[*:1])C(=O)C1=Cc2ccccc2OC1
Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@@H]2C2OCCO2)cc1F C1COC(O1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N1CCCC[C@H]1[*:1]
Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@@H]2C2OCCO2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)N1CCCC[C@@H]1C1OCCO1)[*:1]
C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)O[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 c1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])N1CCN(CC1)C(=O)[C@@H]1CCCO1
CC1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1nn(c2CCCc12)[*:1]
CCCOc1ccc(C(=O)Nc2ccccc2N)cc1 CCC[*:1] Nc1ccccc1NC(=O)c1ccc(cc1)O[*:1]
CCCOc1ccc(C(=O)Nc2ccccc2N)cc1 CCCO[*:1] Nc1ccccc1NC(=O)c1ccc(cc1)[*:1]
CCc1nncn1CCNC(=O)N1CCC([NH+]2CCCC2)CC1 CCc1nncn1[*:1] O=C(NCC[*:1])N1CCC(CC1)[NH+]1CCCC1
O=[N+]([O-])c1c(Oc2ccc(Cl)cc2)ccc2nsnc12 O=[N+]([O-])[*:1] Clc1ccc(cc1)Oc1ccc2nsnc2c1[*:1]
COc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1ncc(C)s1 Cc1cnc(s1)[*:1] COc1cc(OC)c(cc1/C=C/C(=O)N[*:1])OC
CCNc1nccnc1-c1cc(OC)cc(OC)c1 CCN[*:1] COc1cc(cc(c1)-c1nccnc1[*:1])OC
Fc1ccc(-n2cc(C[NH2+]CCC3CCN(c4cc[nH+]cc4)CC3)cn2)cc1 Fc1ccc(cc1)[*:1] c1cc(cc[nH+]1)N1CCC(CC[NH2+]Cc2cnn(c2)[*:1])CC1
Cc1cccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C c1coc(c1)[*:1] Cc1cccc(OCC(=O)NC[C@H]([NH+]2CCCCC2)[*:1])c1C
Cc1cccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C Cc1cccc(c1C)[*:1] O=C(CO[*:1])NC[C@H](c1ccco1)[NH+]1CCCCC1
CCCN(Cc1ncc(Cl)n1C)CC(C)(C)C[NH3+] CC(C)(C[NH3+])C[*:1] CCCN(Cc1ncc(Cl)n1C)[*:1]
CCCN(Cc1ncc(Cl)n1C)CC(C)(C)C[NH3+] CC(C)(C[NH3+])[*:1] CCCN(Cc1ncc(Cl)n1C)C[*:1]
CCCN(Cc1ncc(Cl)n1C)CC(C)(C)C[NH3+] CCC[*:1] Cn1c(Cl)cnc1CN(CC(C)(C)C[NH3+])[*:1]
CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H]2[C@@H](CO)[C@H]3CC[C@@H]2C3)c1 CC(C)(C)[*:1] O=C(Cc1cccc(c1)NC(=O)O[*:1])N[C@@H]1[C@@H](CO)[C@H]2CC[C@@H]1C2
CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H]2[C@@H](CO)[C@H]3CC[C@@H]2C3)c1 CC(C)(C)OC(=O)N[*:1] O=C(Cc1cccc(c1)[*:1])N[C@@H]1[C@@H](CO)[C@H]2CC[C@@H]1C2
CNC(=S)N(CCC1=c2cc(Cl)ccc2=[NH+][C@H]1C)Cc1cccs1 c1csc(c1)C[*:1] CNC(=S)N(CCC1=c2cc(Cl)ccc2=[NH+][C@H]1C)[*:1]
CNC(=S)N(CCC1=c2cc(Cl)ccc2=[NH+][C@H]1C)Cc1cccs1 c1csc(c1)[*:1] CNC(=S)N(CCC1=c2cc(Cl)ccc2=[NH+][C@H]1C)C[*:1]
C[C@H]([NH2+]Cc1ccco1)c1cccc(C#N)c1 c1coc(c1)[*:1] C[C@H]([NH2+]C[*:1])c1cccc(C#N)c1
CC(C)[C@@H](C)N(C(=O)NC[C@@]1(N2CCOCC2)CCSC1)C1CC1 CC(C)[C@@H](C)[*:1] O=C(NC[C@]1(CCSC1)N1CCOCC1)N(C1CC1)[*:1]
CC(C)[C@@H](C)N(C(=O)NC[C@@]1(N2CCOCC2)CCSC1)C1CC1 C1CC1[*:1] CC(C)[C@@H](C)N(C(=O)NC[C@]1(CCSC1)N1CCOCC1)[*:1]
CC(C)[C@@H](C)N(C(=O)NC[C@@]1(N2CCOCC2)CCSC1)C1CC1 CC(C)[*:1] C[C@@H](N(C(=O)NC[C@]1(CCSC1)N1CCOCC1)C1CC1)[*:1]
CC(C)[C@@H](C)N(C(=O)NC[C@@]1(N2CCOCC2)CCSC1)C1CC1 C1CN(CCO1)[*:1] CC(C)[C@@H](C)N(C(=O)NC[C@]1(CCSC1)[*:1])C1CC1
COc1cc(C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1[*:1]
CCCNS(=O)(=O)c1ccc(NC(=O)c2cn(C)nc2C(C)(C)C)cc1 CCCNS(=O)(=O)[*:1] Cn1cc(C(=O)Nc2ccc(cc2)[*:1])c(n1)C(C)(C)C
CCCNS(=O)(=O)c1ccc(NC(=O)c2cn(C)nc2C(C)(C)C)cc1 CCC[*:1] Cn1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)N[*:1])c(n1)C(C)(C)C
CCCNS(=O)(=O)c1ccc(NC(=O)c2cn(C)nc2C(C)(C)C)cc1 CC(C)(C)[*:1] CCCNS(=O)(=O)c1ccc(cc1)NC(=O)c1cn(C)nc1[*:1]
O=C(NCCc1ccccc1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] O=C(NCCc1ccccc1)N1CCC[C@H]1C[*:1]
O=C(NCCc1ccccc1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 c1ccc(cc1)C[*:1] O=C(NC[*:1])N1CCC[C@H]1C[C@@H](O)c1ccccc1
O=C(NCCc1ccccc1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[*:1])N1CCC[C@H]1C[C@@H](O)c1ccccc1
O=C(NCCc1ccccc1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 c1ccc(cc1)CC[*:1] O=C(N[*:1])N1CCC[C@H]1C[C@@H](O)c1ccccc1
O=C(NCCc1ccccc1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1ccccc1)N1CCC[C@H]1C[C@@H](O)[*:1]
CC[NH2+][C@]1(C(=O)[O-])CC[C@@H](Sc2ccc(OC)cc2)C1 O=C([O-])[*:1] CC[NH2+][C@@]1(CC[C@H](C1)Sc1ccc(cc1)OC)[*:1]
[NH3+][C@@H]1CCCCC[C@H]1C(=O)N1[C@H](C(=O)[O-])CS[C@@H]1C1CC1 O=C([O-])[*:1] [NH3+][C@@H]1CCCCC[C@H]1C(=O)N1[C@H](SC[C@@H]1[*:1])C1CC1
[NH3+][C@@H]1CCCCC[C@H]1C(=O)N1[C@H](C(=O)[O-])CS[C@@H]1C1CC1 C1CC1[*:1] [NH3+][C@@H]1CCCCC[C@H]1C(=O)N1[C@@H](CS[C@H]1[*:1])C(=O)[O-]
Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN1S(=O)(=O)c1cccs1
Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 c1csc(c1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
COCCCNC(=O)c1c(NC(=O)C2CCC2)sc2c1CCCC2 O=C(N[*:1])C1CCC1 COCCCNC(=O)c1c(sc2CCCCc21)[*:1]
COCCCNC(=O)c1c(NC(=O)C2CCC2)sc2c1CCCC2 COCC[*:1] O=C(NC[*:1])c1c(NC(=O)C2CCC2)sc2CCCCc21
COCCCNC(=O)c1c(NC(=O)C2CCC2)sc2c1CCCC2 COCCC[*:1] O=C(N[*:1])c1c(NC(=O)C2CCC2)sc2CCCCc21
COCCCNC(=O)c1c(NC(=O)C2CCC2)sc2c1CCCC2 COCCCNC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])C1CCC1
COCCCNC(=O)c1c(NC(=O)C2CCC2)sc2c1CCCC2 C1CC(C1)[*:1] COCCCNC(=O)c1c(NC(=O)[*:1])sc2CCCCc21
COCCCNC(=O)c1c(NC(=O)C2CCC2)sc2c1CCCC2 COC[*:1] O=C(NCC[*:1])c1c(NC(=O)C2CCC2)sc2CCCCc21
CC[C@H](CCO)CN1C(=O)c2ccc(Br)cc2C1=O CC[C@H](CCO)[*:1] O=C1c2ccc(Br)cc2C(=O)N1C[*:1]
CC[C@H](CCO)CN1C(=O)c2ccc(Br)cc2C1=O OCC[*:1] CC[C@H](CN1C(=O)c2ccc(Br)cc2C1=O)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 O=S(=O)(N1CCCCCC1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(cc1)[*:1]
CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NC(=S)Nc3ccccc3)CO[C@H]12 c1ccc(cc1)[*:1] CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=S)N[*:1]
CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NC(=S)Nc3ccccc3)CO[C@H]12 CCNC(=O)O[*:1] S=C(Nc1ccccc1)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2[*:1]
C[C@H](NC(=O)NNC(=O)Cc1c[nH]c2ccccc12)c1ccncc1 C[C@H](c1ccncc1)[*:1] O=C(Cc1c[nH]c2ccccc12)NNC(=O)N[*:1]
C[C@H](NC(=O)NNC(=O)Cc1c[nH]c2ccccc12)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)NNC(=O)Cc1c[nH]c2ccccc12)[*:1]
COc1cc(CNC(=O)NCc2ncc(-c3ccccc3)o2)ccn1 COc1cc(ccn1)[*:1] O=C(NCc1ncc(o1)-c1ccccc1)NC[*:1]
COc1cc(CNC(=O)NCc2ncc(-c3ccccc3)o2)ccn1 c1ccc(cc1)[*:1] COc1cc(ccn1)CNC(=O)NCc1ncc(o1)[*:1]
CNC(=O)c1ccc(N[C@@H](C)c2cc(OC)ccc2OC)[nH+]n1 CNC(=O)[*:1] COc1ccc(OC)c(c1)[C@H](C)Nc1ccc(n[nH+]1)[*:1]
CCCNC(=O)CCC(=O)N1CCN(c2cccc(Cl)n2)CC1 Clc1cccc(n1)[*:1] CCCNC(=O)CCC(=O)N1CCN(CC1)[*:1]
CCCNC(=O)CCC(=O)N1CCN(c2cccc(Cl)n2)CC1 CCC[*:1] O=C(CCC(=O)N1CCN(CC1)c1cccc(Cl)n1)N[*:1]
CCCNC(=O)CCC(=O)N1CCN(c2cccc(Cl)n2)CC1 CCCNC(=O)[*:1] O=C(CC[*:1])N1CCN(CC1)c1cccc(Cl)n1
CCCNC(=O)CCC(=O)N1CCN(c2cccc(Cl)n2)CC1 CCCNC(=O)C[*:1] O=C(C[*:1])N1CCN(CC1)c1cccc(Cl)n1
CCc1ccc([C@@H](CO)NC(=O)C2=Cc3ccc(OC)cc3OC2)cc1 CCc1ccc(cc1)[*:1] COc1ccc2C=C(COc2c1)C(=O)N[C@H](CO)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@H](NC(=O)OC(C)(C)C)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 CC(C)(C)OC(=O)N[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@H](C(C)(C)C)[*:1]
C[NH+](C)[C@H]1CC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)[C@H](NC(=O)O[*:1])C(C)(C)C
Cc1nc2cc(C(=O)NCCN3CCOCC3)ccc2n1-c1ccc(F)cc1F C1CN(CCO1)C[*:1] Cc1nc2cc(ccc2n1-c1ccc(F)cc1F)C(=O)NC[*:1]
Cc1nc2cc(C(=O)NCCN3CCOCC3)ccc2n1-c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] Cc1nc2cc(ccc2n1[*:1])C(=O)NCCN1CCOCC1
Cc1nc2cc(C(=O)NCCN3CCOCC3)ccc2n1-c1ccc(F)cc1F C1CN(CCO1)[*:1] Cc1nc2cc(ccc2n1-c1ccc(F)cc1F)C(=O)NCC[*:1]
Cc1nc2cc(C(=O)NCCN3CCOCC3)ccc2n1-c1ccc(F)cc1F C1CN(CCO1)CC[*:1] Cc1nc2cc(ccc2n1-c1ccc(F)cc1F)C(=O)N[*:1]
C/C(C(=O)[O-])=C(\C)c1ccc(C)c(F)c1 O=C([O-])[*:1] CC(=C(C)[*:1])c1ccc(C)c(F)c1
C[C@@]([NH2+]CCCO)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@]([NH2+]CCCO)(C(F)(F)F)[*:1]
C[C@@]([NH2+]CCCO)(C(=O)[O-])C(F)(F)F OCC[*:1] C[C@@]([NH2+]C[*:1])(C(=O)[O-])C(F)(F)F
C[C@@]([NH2+]CCCO)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@]([NH2+]CCCO)(C(=O)[O-])[*:1]
C[C@@]([NH2+]CCCO)(C(=O)[O-])C(F)(F)F OCCC[*:1] C[C@@]([NH2+][*:1])(C(=O)[O-])C(F)(F)F
Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c3cnccc23)o1 Cc1ccc(C[*:1])o1 CN(c1ccc(c2cnccc12)[N+](=O)[O-])[*:1]
Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c3cnccc23)o1 O=[N+]([O-])[*:1] Cc1ccc(CN(C)c2ccc(c3cnccc23)[*:1])o1
Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c3cnccc23)o1 Cc1ccc(o1)[*:1] CN(C[*:1])c1ccc(c2cnccc12)[N+](=O)[O-]
O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1Cl FC(F)(F)[*:1] O=C(NC[C@](O)(c1ccccc1)[*:1])c1ccccc1Cl
O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1Cl c1ccc(cc1)[*:1] O=C(NC[C@](O)(C(F)(F)F)[*:1])c1ccccc1Cl
O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[*:1]
O=S1(=O)N=C(CN2CCC[C@@H]2Cn2cccn2)Nc2ccccc21 c1cnn(c1)[*:1] O=S1(=O)N=C(CN2CCC[C@@H]2C[*:1])Nc2ccccc21
O=S1(=O)N=C(CN2CCC[C@@H]2Cn2cccn2)Nc2ccccc21 c1cnn(c1)C[*:1] O=S1(=O)N=C(CN2CCC[C@H]2[*:1])Nc2ccccc21
CNC(=O)c1cccc(C[NH+]2CC=C(c3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)C[NH+]1CC=C(CC1)[*:1]
CNC(=O)c1cccc(C[NH+]2CC=C(c3ccc(Cl)cc3)CC2)c1 CNC(=O)[*:1] Clc1ccc(cc1)C1=CC[NH+](CC1)Cc1cccc(c1)[*:1]
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)CSc2cccc[n+]2[O-])C1 [O-][n+]1ccccc1[*:1] CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)CS[*:1])C1
C[C@@H]([C@@H](C)NC(=O)C[C@H](O)c1cccc(F)c1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]([C@@H](C)NC(=O)C[C@H](O)c1cccc(F)c1)[*:1]
C[C@@H]([C@@H](C)NC(=O)C[C@H](O)c1cccc(F)c1)N1CCOCC1 Fc1cccc(c1)[*:1] C[C@@H]([C@@H](C)NC(=O)C[C@H](O)[*:1])N1CCOCC1
C[C@@H](C(=O)c1ccc(Cl)cc1)[C@@]1(O)C(=O)Nc2ccccc21 Clc1ccc(cc1)[*:1] C[C@@H](C(=O)[*:1])[C@@]1(O)C(=O)Nc2ccccc21
CC(C)[C@H](C)NC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 CC(C)[C@H](C)[*:1] O=C(Nc1ccc(cc1)-c1nnnn1C1CC1)N[*:1]
CC(C)[C@H](C)NC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 C1CC1[*:1] CC(C)[C@H](C)NC(=O)Nc1ccc(cc1)-c1nnnn1[*:1]
CC(C)[C@H](C)NC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 CC(C)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)-c1nnnn1C1CC1)[*:1]
CC(=O)N(C)C1CCN(c2ccccc2S(C)(=O)=O)CC1 CC(=O)N(C)[*:1] CS(=O)(=O)c1ccccc1N1CCC(CC1)[*:1]
CC(=O)N(C)C1CCN(c2ccccc2S(C)(=O)=O)CC1 CS(=O)(=O)[*:1] CC(=O)N(C)C1CCN(CC1)c1ccccc1[*:1]
C[C@@H](NCc1ccnc(OC2CCC2)c1)c1cccc([N+](=O)[O-])c1 C1CC(C1)[*:1] C[C@@H](NCc1ccnc(c1)O[*:1])c1cccc(c1)[N+](=O)[O-]
C[C@@H](NCc1ccnc(OC2CCC2)c1)c1cccc([N+](=O)[O-])c1 C1CC(C1)O[*:1] C[C@@H](NCc1ccnc(c1)[*:1])c1cccc(c1)[N+](=O)[O-]
C[C@@H](NCc1ccnc(OC2CCC2)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](NCc1ccnc(c1)OC1CCC1)c1cccc(c1)[*:1]
CCN(CC(C)(C)C[NH3+])c1ncc(C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(CC(C)(C)C[NH3+])c1ncc(C)cc1[*:1]
Cc1cc(NC(=O)NC2(c3noc(C)n3)CCCC2)c2ncccc2c1 Cc1nc(no1)[*:1] Cc1cc(NC(=O)NC2(CCCC2)[*:1])c2ncccc2c1
O=S1(=O)C[C@H](N2CCc3ccccc3C2)[C@@H](S(=O)(=O)c2cccs2)C1 O=S(=O)(c1cccs1)[*:1] O=S1(=O)C[C@@H]([C@@H](C1)[*:1])N1CCc2ccccc2C1
O=S1(=O)C[C@H](N2CCc3ccccc3C2)[C@@H](S(=O)(=O)c2cccs2)C1 c1csc(c1)[*:1] O=S1(=O)C[C@@H]([C@H](C1)S(=O)(=O)[*:1])N1CCc2ccccc2C1
CSCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 CSC[*:1] O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NC[*:1]
CSCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 CSCC[*:1] O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)N[*:1]
CSCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 c1csc(c1)[*:1] CSCCNC(=O)C[C@H]1C(=O)NCCN1C[*:1]
CSCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 c1csc(c1)C[*:1] CSCCNC(=O)C[C@H]1C(=O)NCCN1[*:1]
CSCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 CSCCNC(=O)[*:1] O=C1NCCN(Cc2cccs2)[C@H]1C[*:1]
Cc1ccc(C(F)(F)F)cc1NCc1csnn1 c1snnc1[*:1] Cc1ccc(cc1NC[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)cc1NCc1csnn1 FC(F)(F)[*:1] Cc1ccc(cc1NCc1csnn1)[*:1]
Cc1ccc(C(F)(F)F)cc1NCc1csnn1 c1snnc1C[*:1] Cc1ccc(cc1N[*:1])C(F)(F)F
C[C@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCc2ccccc2)[C@H]3C1=O c1ccc(cc1)C[*:1] C[C@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O[*:1])[C@H]3C1=O
C[C@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCc2ccccc2)[C@H]3C1=O Brc1ccc(cc1)[*:1] C[C@H](N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCc2ccccc2)[C@H]3C1=O)[*:1]
C[C@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCc2ccccc2)[C@H]3C1=O C[C@H](c1ccc(Br)cc1)[*:1] O=C(OCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(C(=O)[C@H]13)[*:1])O2
C[C@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCc2ccccc2)[C@H]3C1=O O=C(OCc1ccccc1)[*:1] C[C@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)[*:1]
C[C@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCc2ccccc2)[C@H]3C1=O c1ccc(cc1)[*:1] C[C@H](c1ccc(Br)cc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OC[*:1])[C@H]3C1=O
CCOCC1CCN(C(=O)C(=O)Nc2ccc(SC)cc2)CC1 CCO[*:1] CSc1ccc(cc1)NC(=O)C(=O)N1CCC(CC1)C[*:1]
CCOCC1CCN(C(=O)C(=O)Nc2ccc(SC)cc2)CC1 CCOC[*:1] CSc1ccc(cc1)NC(=O)C(=O)N1CCC(CC1)[*:1]
CC(=O)c1cccc(N/C=C2\C(=O)N(CCC3=c4ccccc4=[NH+]C3)C(=O)C(C#N)=C2C)c1 CC(=O)c1cccc(c1)[*:1] CC1=C(C#N)C(=O)N(CCC2C[NH+]=c3ccccc3=2)C(=O)/C1=C\N[*:1]
CC(=O)c1cccc(N/C=C2\C(=O)N(CCC3=c4ccccc4=[NH+]C3)C(=O)C(C#N)=C2C)c1 CC(=O)c1cccc(c1)N[*:1] CC1=C(C#N)C(=O)N(CCC2C[NH+]=c3ccccc3=2)C(=O)C1=C[*:1]
CC(=O)c1cccc(N/C=C2\C(=O)N(CCC3=c4ccccc4=[NH+]C3)C(=O)C(C#N)=C2C)c1 CC(=O)[*:1] CC1=C(C#N)C(=O)N(CCC2C[NH+]=c3ccccc3=2)C(=O)/C1=C\Nc1cccc(c1)[*:1]
C[NH2+]C(C)(C)C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH2+]C(C)(C)C(=O)NCc1ccc[nH+]c1N(C)C[*:1]
C[NH2+]C(C)(C)C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH2+]C(C)(C)C(=O)NCc1ccc[nH+]c1N(C)[*:1]
Cc1noc([C@@H](C)NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)n1 Cc1noc(n1)[*:1] Cc1cc(cc(c1C)S(=O)(=O)N(C)C)C(=O)N[C@H](C)[*:1]
Cc1noc([C@@H](C)NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)n1 CN(C)S(=O)(=O)[*:1] Cc1noc(n1)[C@@H](C)NC(=O)c1cc(C)c(C)c(c1)[*:1]
Cn1c(=O)oc2cc(NC=C(C#N)C#N)ccc21 N#CC(C#N)=C[*:1] Cn1c(=O)oc2cc(ccc21)N[*:1]
O[C@H](CCc1ccc(Cl)cc1F)c1ccccc1 c1ccc(cc1)[*:1] O[C@H](CCc1ccc(Cl)cc1F)[*:1]
CC(C)COc1ccc(NC(=O)N2CCC[C@H](C(=O)N(C)C)C2)cn1 CN(C)C(=O)[*:1] CC(C)COc1ccc(cn1)NC(=O)N1CCC[C@H](C1)[*:1]
CC(C)COc1ccc(NC(=O)N2CCC[C@H](C(=O)N(C)C)C2)cn1 CC(C)[*:1] CN(C)C(=O)[C@H]1CCCN(C1)C(=O)Nc1ccc(nc1)OC[*:1]
CC(C)COc1ccc(NC(=O)N2CCC[C@H](C(=O)N(C)C)C2)cn1 CC(C)C[*:1] CN(C)C(=O)[C@H]1CCCN(C1)C(=O)Nc1ccc(nc1)O[*:1]
CC(C)COc1ccc(NC(=O)N2CCC[C@H](C(=O)N(C)C)C2)cn1 CC(C)CO[*:1] CN(C)C(=O)[C@H]1CCCN(C1)C(=O)Nc1ccc(nc1)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)O/N=C(/N)Cc1cccnc1 c1cncc(c1)[*:1] CC[C@@H](C)NC(=O)[C@H](C)O/N=C(/N)C[*:1]
CC[C@@H](C)NC(=O)[C@H](C)O/N=C(/N)Cc1cccnc1 CC[C@@H](C)[*:1] C[C@H](O/N=C(/N)Cc1cccnc1)C(=O)N[*:1]
CC(=O)[C@@]1(O)CC[C@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C CC(=O)[*:1] C[C@@]12C(=CC(=O)[C@@H]3C[C@@H]31)C(Cl)=C[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)[*:1]
CC(=O)N[C@@H](C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1)C1CCCC1 CC(=O)N[*:1] Cn1cc(cn1)C(=O)NC1CCN(CC1)C(=O)[C@@H](C1CCCC1)[*:1]
CC(=O)N[C@@H](C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1)C1CCCC1 Cn1cc(cn1)[*:1] CC(=O)N[C@@H](C(=O)N1CCC(CC1)NC(=O)[*:1])C1CCCC1
CC(=O)N[C@@H](C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@@H](C(=O)N1CCC(CC1)NC(=O)c1cnn(C)c1)[*:1]
CC(=O)N[C@@H](C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1)C1CCCC1 Cn1cc(cn1)C(=O)N[*:1] CC(=O)N[C@@H](C(=O)N1CCC(CC1)[*:1])C1CCCC1
CC(=O)N[C@H](CC(=O)Nc1c(C)cccc1Cl)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)Nc1c(C)cccc1Cl)[*:1]
CC(=O)N[C@H](CC(=O)Nc1c(C)cccc1Cl)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Nc1c(C)cccc1Cl)[*:1]
CC(=O)N[C@H](CC(=O)Nc1c(C)cccc1Cl)c1ccc(C)cc1 Cc1cccc(Cl)c1[*:1] CC(=O)N[C@H](CC(=O)N[*:1])c1ccc(C)cc1
N#Cc1ncn(CC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 N#Cc1ncn(n1)[*:1] O=C(C[*:1])N1CCN(CC1)c1cccc[nH+]1
COC(=O)[C@@]1(F)CCN(c2cncc(-n3nc(C)cc3C)n2)C1 COC(=O)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)N1CC[C@](F)(C1)[*:1]
COC(=O)[C@@]1(F)CCN(c2cncc(-n3nc(C)cc3C)n2)C1 Cc1cc(C)n(n1)[*:1] COC(=O)[C@@]1(F)CCN(C1)c1cncc(n1)[*:1]
CCc1n[nH]c(=O)c(CNC(=O)C=C2CCSCC2)c1CC C(=C1CCSCC1)[*:1] CCc1n[nH]c(=O)c(CNC(=O)[*:1])c1CC
O=C(Oc1ccc(Br)cc1)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 Brc1ccc(cc1)[*:1] O=C(O[*:1])c1cccc(c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
O=C(OCC(=O)N1CCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O O=C(C[*:1])N1CCCC1 O=C(O[*:1])c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
O=C(OCC(=O)N1CCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O c1coc(c1)C[*:1] O=C(OCC(=O)N1CCCC1)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C(OCC(=O)N1CCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O O=C(N1CCCC1)[*:1] O=C(OC[*:1])c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
O=C(OCC(=O)N1CCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O c1coc(c1)[*:1] O=C(OCC(=O)N1CCCC1)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
Cc1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c(OC[C@H]2CCOC2)c1 C1C[C@@H](CO1)CO[*:1] Cc1ccc(CNC(=O)N2CCC[C@H](C2)[NH+](C)C)c(c1)[*:1]
Cc1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c(OC[C@H]2CCOC2)c1 C1C[C@@H](CO1)C[*:1] Cc1ccc(CNC(=O)N2CCC[C@H](C2)[NH+](C)C)c(c1)O[*:1]
Cc1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c(OC[C@H]2CCOC2)c1 C1C[C@@H](CO1)[*:1] Cc1ccc(CNC(=O)N2CCC[C@H](C2)[NH+](C)C)c(c1)OC[*:1]
O=C(c1cn[nH]c1)c1cc(Cl)ccc1O c1n[nH]cc1[*:1] O=C(c1cc(Cl)ccc1O)[*:1]
Cc1c(N[C@H](C[C@H]2CCOC2)c2ccccc2)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])N[C@H](C[C@H]1CCOC1)c1ccccc1
Cc1c(N[C@H](C[C@H]2CCOC2)c2ccccc2)cc(C#N)cc1[N+](=O)[O-] C1C[C@@H](CO1)C[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N[C@H](c1ccccc1)[*:1]
Cc1c(N[C@H](C[C@H]2CCOC2)c2ccccc2)cc(C#N)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cc(C#N)cc1[N+](=O)[O-])N[C@H](C[C@H]1CCOC1)[*:1]
CC[C@@H]1CCCCN1C(=O)CSCCOC COC[*:1] CC[C@@H]1CCCCN1C(=O)CSC[*:1]
CC[C@@H]1CCCCN1C(=O)CSCCOC COCCS[*:1] CC[C@@H]1CCCCN1C(=O)C[*:1]
CC[C@@H]1CCCCN1C(=O)CSCCOC COCC[*:1] CC[C@@H]1CCCCN1C(=O)CS[*:1]
COc1cc([C@H](O)C2CCC2)ccc1Cl C1CC(C1)[*:1] COc1cc(ccc1Cl)[C@H](O)[*:1]
NC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)o1 NC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1
COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cnn(C)c1C)CC2 Cc1c(cnn1C)[*:1] COc1ccc2CC[C@@H](Cc2c1)[NH2+]C[*:1]
C[C@@H](CC(=O)Nc1cnc(-c2ccccc2)s1)n1cccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)Nc1cnc(s1)[*:1])n1cccc1
C[C@@H](CC(=O)Nc1cnc(-c2ccccc2)s1)n1cccc1 c1ccn(c1)[*:1] C[C@@H](CC(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
Cc1nnsc1C(=O)N(Cc1ccsc1)Cc1ccccn1 c1ccc(nc1)[*:1] Cc1nnsc1C(=O)N(Cc1ccsc1)C[*:1]
Cc1nnsc1C(=O)N(Cc1ccsc1)Cc1ccccn1 c1ccc(C[*:1])nc1 Cc1nnsc1C(=O)N(Cc1ccsc1)[*:1]
Cc1nnsc1C(=O)N(Cc1ccsc1)Cc1ccccn1 c1cc(cs1)[*:1] Cc1nnsc1C(=O)N(Cc1ccccn1)C[*:1]
Cc1nnsc1C(=O)N(Cc1ccsc1)Cc1ccccn1 c1cc(cs1)C[*:1] Cc1nnsc1C(=O)N(Cc1ccccn1)[*:1]
Cc1nnsc1C(=O)N(Cc1ccsc1)Cc1ccccn1 Cc1nnsc1[*:1] O=C(N(Cc1ccsc1)Cc1ccccn1)[*:1]
Cn1cc(C(=O)NCc2ccccc2OC(F)F)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)NCc2ccccc2OC(F)F)c(n1)[*:1]
Cn1cc(C(=O)NCc2ccccc2OC(F)F)c(C(C)(C)C)n1 FC(F)O[*:1] Cn1cc(C(=O)NCc2ccccc2[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)NCc2ccccc2OC(F)F)c(C(C)(C)C)n1 FC(F)[*:1] Cn1cc(C(=O)NCc2ccccc2O[*:1])c(n1)C(C)(C)C
CCN(C)C(=O)c1cccc(OC(=O)C2(c3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] CCN(C)C(=O)c1cccc(c1)OC(=O)C1(CC1)[*:1]
CCN(C)C(=O)c1cccc(OC(=O)C2(c3ccc(Cl)cc3)CC2)c1 CCN(C)C(=O)[*:1] O=C(Oc1cccc(c1)[*:1])C1(CC1)c1ccc(Cl)cc1
CC(C)c1ocnc1C[S@](=O)[C@H](C)C(=O)NC1CCCC1 CC(C)[*:1] C[C@H](C(=O)NC1CCCC1)[S@@](=O)Cc1ncoc1[*:1]
CC(C)c1ocnc1C[S@](=O)[C@H](C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] CC(C)c1ocnc1C[S@](=O)[C@H](C)C(=O)N[*:1]
C=CCOc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 c1csc(c1)[*:1] C=CCOc1cccc(c1)[C@@H]1NC(=O)N[C@](O)([C@@H]1C(=O)[*:1])C(F)(F)F
C=CCOc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 C=CC[*:1] O=C1N[C@@H](c2cccc(c2)O[*:1])[C@@H](C(=O)c2cccs2)[C@@](O)(N1)C(F)(F)F
C=CCOc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 C=CCO[*:1] O=C1N[C@@H](c2cccc(c2)[*:1])[C@@H](C(=O)c2cccs2)[C@@](O)(N1)C(F)(F)F
C=CCOc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 FC(F)(F)[*:1] C=CCOc1cccc(c1)[C@@H]1NC(=O)N[C@@](O)([C@@H]1C(=O)c1cccs1)[*:1]
C=CCOc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 O=C(c1cccs1)[*:1] C=CCOc1cccc(c1)[C@@H]1NC(=O)N[C@](O)([C@H]1[*:1])C(F)(F)F
CCN(C(=O)N[C@H]1CCCC[C@H]1OC)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)N[C@H]1CCCC[C@H]1OC)[*:1]
O=C(CCCN1CCOC1=O)NCCc1ccccn1 O=C1OCCN1[*:1] O=C(CCC[*:1])NCCc1ccccn1
O=C(CCCN1CCOC1=O)NCCc1ccccn1 c1ccc(nc1)[*:1] O=C(CCCN1CCOC1=O)NCC[*:1]
Cc1cnc(Cl)nc1N[C@@H](C)C(C)C CC(C)[*:1] Cc1cnc(Cl)nc1N[C@@H](C)[*:1]
CCN(C(=O)c1cccc(NC(=S)NC(=O)C(C)C)c1)c1ccccc1 CC(C)[*:1] CCN(C(=O)c1cccc(c1)NC(=S)NC(=O)[*:1])c1ccccc1
CCN(C(=O)c1cccc(NC(=S)NC(=O)C(C)C)c1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1cccc(c1)NC(=S)NC(=O)C(C)C)[*:1]
CCCc1cc([O-])nc(S[C@@H](C)C(=O)c2ccc(F)cc2F)n1 CCC[*:1] C[C@H](Sc1nc([O-])cc(n1)[*:1])C(=O)c1ccc(F)cc1F
COc1ccccc1/C=C/C=C(\C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] COc1ccccc1/C=C/C=C(\C#N)C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1/C=C/C=C(\C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 COc1ccccc1[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)/C(C#N)=C/C=C[*:1]
C[C@H](OC(=O)c1cccc2ccccc12)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](OC(=O)c1cccc2ccccc12)[*:1]
CC(C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 CC(C)[*:1] C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC(C)[NH+]1CCN(CC1)[C@@H](C)C(=O)Nc1ccccc1[*:1]
O[C@]1(C(F)(F)F)[C@H]2COc3ccccc3C2=NN1c1nc(-c2cccnc2)cs1 FC(F)(F)[*:1] O[C@@]1([C@H]2COc3ccccc3C2=NN1c1nc(cs1)-c1cccnc1)[*:1]
O[C@]1(C(F)(F)F)[C@H]2COc3ccccc3C2=NN1c1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] O[C@@]1([C@H]2COc3ccccc3C2=NN1c1nc(cs1)[*:1])C(F)(F)F
CC(C)c1ccc(C(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 CC(C)[*:1] CN1C(=O)C(=O)N(CC(=O)c2ccc(cc2)[*:1])C1=O
O=C(NC[C@@H](O)c1ccc(F)cc1)N[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(NC[C@@H](O)c1ccc(F)cc1)N[C@H]1CC(=O)N(C1)[*:1]
O=C(NC[C@@H](O)c1ccc(F)cc1)N[C@H]1CC(=O)N(C2CC2)C1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H](O)[*:1])N[C@H]1CC(=O)N(C1)C1CC1
O=C([O-])C[C@H](C1CCCCC1)N1Cc2ccccc2C1=O C1CCC(CC1)[*:1] O=C([O-])C[C@H](N1Cc2ccccc2C1=O)[*:1]
O=C([O-])C[C@H](C1CCCCC1)N1Cc2ccccc2C1=O O=C([O-])[*:1] O=C1c2ccccc2CN1[C@H](C[*:1])C1CCCCC1
Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)c4snnc4C)CC3)c2)s1 Cc1nnsc1[*:1] Cc1nnc(s1)-c1cccc(c1)NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)c4snnc4C)CC3)c2)s1 Cc1nnc(s1)[*:1] Cc1nnsc1C(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1cccc(N2CCO[C@@H](c3ccc(C)o3)C2)n1 Cc1ccc(o1)[*:1] COC(=O)c1cccc(n1)N1CCO[C@@H](C1)[*:1]
COC(=O)c1cccc(N2CCO[C@@H](c3ccc(C)o3)C2)n1 COC(=O)[*:1] Cc1ccc(o1)[C@H]1CN(CCO1)c1cccc(n1)[*:1]
O=C(N[C@H](CO)c1ccco1)c1ccc(F)cc1O c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1ccc(F)cc1O
CCC[C@H]1CN(C(=O)CSC)C[C@@H]1Nc1cc(C)nc(N)n1 CCC[*:1] CSCC(=O)N1C[C@@H]([C@H](C1)Nc1cc(C)nc(N)n1)[*:1]
CCC[C@H]1CN(C(=O)CSC)C[C@@H]1Nc1cc(C)nc(N)n1 CSC[*:1] CCC[C@H]1CN(C[C@@H]1Nc1cc(C)nc(N)n1)C(=O)[*:1]
C[C@]1(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)Oc2ccccc2NC1=O Fc1ccc(cc1)[*:1] C[C@@]1(Oc2ccccc2NC1=O)C(=O)Nc1ccn(C[*:1])n1
C[C@]1(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)Oc2ccccc2NC1=O Fc1ccc(cc1)C[*:1] C[C@@]1(Oc2ccccc2NC1=O)C(=O)Nc1ccn(n1)[*:1]
CNc1cc(COc2cccc(Br)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1cc(ccc1[*:1])COc1cccc(Br)c1
CCCC(=C/C([O-])=N/S(=O)(=O)c1ccccc1)CCC c1ccc(cc1)[*:1] CCCC(=C/C([O-])=N/S(=O)(=O)[*:1])CCC
CCCC(=C/C([O-])=N/S(=O)(=O)c1ccccc1)CCC CCC[*:1] CCCC(=C/C([O-])=N/S(=O)(=O)c1ccccc1)[*:1]
COc1ccc(/C=N/NC(=O)Cc2csc(N)n2)c(OC)c1 Nc1nc(cs1)C[*:1] COc1ccc(/C=N/NC(=O)[*:1])c(c1)OC
COc1ccc(/C=N/NC(=O)Cc2csc(N)n2)c(OC)c1 Nc1nc(cs1)[*:1] COc1ccc(/C=N/NC(=O)C[*:1])c(c1)OC
C=C(Cl)CCc1ccc(OC)c(OC)c1 C=C(Cl)CC[*:1] COc1ccc(cc1OC)[*:1]
C=C(Cl)CCc1ccc(OC)c(OC)c1 C=C(Cl)[*:1] COc1ccc(cc1OC)CC[*:1]
C=C(Cl)CCc1ccc(OC)c(OC)c1 C=C(Cl)C[*:1] COc1ccc(cc1OC)C[*:1]
O=C(NC1CCN(C(=O)NC2CCCCCC2)CC1)c1ccccc1F C1CCCC(CC1)[*:1] O=C(NC1CCN(CC1)C(=O)N[*:1])c1ccccc1F
O=C(NC1CCN(C(=O)NC2CCCCCC2)CC1)c1ccccc1F Fc1ccccc1[*:1] O=C(NC1CCCCCC1)N1CCC(CC1)NC(=O)[*:1]
CC[C@@H](CSC)N(C)S(=O)(=O)N(C)C(C)C CC(C)[*:1] CC[C@@H](CSC)N(C)S(=O)(=O)N(C)[*:1]
CC[C@@H](CSC)N(C)S(=O)(=O)N(C)C(C)C CSC[*:1] CC[C@@H](N(C)S(=O)(=O)N(C)C(C)C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNc1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(cc1)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 COC[*:1] C[C@H](C[*:1])C(=O)Nc1ccc2OCC(=O)N(C)c2c1
COCC[C@@H](C)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 COCC[C@@H](C)[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 COCC[*:1] C[C@@H](C(=O)Nc1ccc2OCC(=O)N(C)c2c1)[*:1]
CCOc1ccc(C[C@@H]2C(=O)Nc3ccccc32)cc1 CCO[*:1] O=C1Nc2ccccc2[C@@H]1Cc1ccc(cc1)[*:1]
COc1ccc(-c2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)o2)c([N+](=O)[O-])c1 O=C([O-])[*:1] COc1ccc(-c2ccc(o2)C(=O)NCc2ccc(cc2)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(-c2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)o2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(-c2ccc(o2)C(=O)NCc2ccc(cc2)C(=O)[O-])c(c1)[*:1]
COc1ccc(-c2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)o2)c([N+](=O)[O-])c1 O=C([O-])c1ccc(cc1)[*:1] COc1ccc(-c2ccc(o2)C(=O)NC[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2cn[nH]c2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)CCN(C(=O)Nc1cn[nH]c1)[*:1]
Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2cn[nH]c2)cc1 c1n[nH]cc1[*:1] Cc1ccc(cc1)CCN(Cc1ccco1)C(=O)N[*:1]
Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2cn[nH]c2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1cn[nH]c1)N(CC[*:1])Cc1ccco1
Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2cn[nH]c2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CCN(C[*:1])C(=O)Nc1cn[nH]c1
Cc1ccc(CCN(Cc2ccco2)C(=O)Nc2cn[nH]c2)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1cn[nH]c1)N(Cc1ccco1)C[*:1]
O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1cc2OCOc2cc1[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CC(=O)N(Cc2ccccc2)C1
O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccc2OCOc2c1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Nc1nc(cs1)-c1ccc2OCOc2c1)[C@@H]1CC(=O)N(C1)[*:1]
C[C@H](C(=O)N1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O O=C(N1CCCCC1)[*:1] C[C@H](N(c1ccc(cc1)Oc1ccccc1)S(C)(=O)=O)[*:1]
C[C@H](C(=O)N1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O c1ccc(cc1)[*:1] C[C@H](C(=O)N1CCCCC1)N(c1ccc(cc1)O[*:1])S(C)(=O)=O
C[C@H](C(=O)N1CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O c1ccc(cc1)O[*:1] C[C@H](C(=O)N1CCCCC1)N(c1ccc(cc1)[*:1])S(C)(=O)=O
O=C(c1nccc2ccccc12)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] O=C(c1nccc2ccccc12)N1CCC(CC1)[*:1]
O=C(c1nccc2ccccc12)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] O=C(c1nccc2ccccc12)N1CCC(CC1)C[*:1]
Cc1cccc(N2C[C@H](C(=O)N[C@@H](c3ccccn3)C(C)C)CC2=O)c1C c1ccc(nc1)[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)N[C@@H](C(C)C)[*:1]
Cc1cccc(N2C[C@H](C(=O)N[C@@H](c3ccccn3)C(C)C)CC2=O)c1C CC(C)[*:1] Cc1cccc(c1C)N1C[C@@H](CC1=O)C(=O)N[C@@H](c1ccccn1)[*:1]
Cc1cccc(N2C[C@H](C(=O)N[C@@H](c3ccccn3)C(C)C)CC2=O)c1C Cc1cccc(c1C)[*:1] CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccccn1
Cn1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)n1 Cn1ccc(n1)N[*:1] c1ccc(cc1)-c1cc2c(ncnc2s1)[*:1]
Cn1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)n1 c1ccc(cc1)[*:1] Cn1ccc(n1)Nc1ncnc2sc(cc12)[*:1]
Cn1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)n1 Cn1ccc(n1)[*:1] c1ccc(cc1)-c1cc2c(ncnc2s1)N[*:1]
CCN(Cc1ccccc1)C(=O)c1cccc2nscc12 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)c1cccc2nscc12
CCN(Cc1ccccc1)C(=O)c1cccc2nscc12 c1ccc(cc1)C[*:1] CCN(C(=O)c1cccc2nscc12)[*:1]
CC(C)[NH2+]C1(Cc2cc(C(C)(C)O)on2)COC1 CC(C)[*:1] CC(C)(O)c1cc(CC2(COC2)[NH2+][*:1])no1
CC(C)[NH2+]C1(Cc2cc(C(C)(C)O)on2)COC1 CC(C)(O)[*:1] CC(C)[NH2+]C1(COC1)Cc1cc(on1)[*:1]
O=C(CSc1nnc2sc3ccccc3n12)Nc1ncc(Cl)cc1Cl Clc1cnc(c(Cl)c1)[*:1] O=C(CSc1nnc2sc3ccccc3n12)N[*:1]
CC(C)c1nn(C)c(Cl)c1C=O CC(C)[*:1] Cn1nc(c(C=O)c1Cl)[*:1]
Cc1ccc([O-])c(CN(CC(C)C)C[C@H](O)c2ccc(F)cc2)[nH+]1 CC(C)C[*:1] Cc1ccc([O-])c(CN(C[C@H](O)c2ccc(F)cc2)[*:1])[nH+]1
Cc1ccc([O-])c(CN(CC(C)C)C[C@H](O)c2ccc(F)cc2)[nH+]1 CC(C)[*:1] Cc1ccc([O-])c(CN(C[C@H](O)c2ccc(F)cc2)C[*:1])[nH+]1
Cc1ccc([O-])c(CN(CC(C)C)C[C@H](O)c2ccc(F)cc2)[nH+]1 Fc1ccc(cc1)[*:1] Cc1ccc([O-])c(CN(CC(C)C)C[C@H](O)[*:1])[nH+]1
CCc1ccccc1NC(=O)C[NH+](C)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CCc1ccccc1NC(=O)C[NH+](C)C1CCN(CC1)[*:1]
CCc1ccccc1NC(=O)C[NH+](C)C1CCN(c2cccc(F)c2)CC1 CCc1ccccc1[*:1] C[NH+](CC(=O)N[*:1])C1CCN(CC1)c1cccc(F)c1
CCOC(=O)c1nnnn1Cc1cccc(O)c1 CCOC(=O)[*:1] Oc1cccc(c1)Cn1nnnc1[*:1]
Cc1cc(C(=O)OCc2nncn2C2CC2)c(C)n1Cc1cccs1 c1nnc(n1C1CC1)[*:1] Cc1cc(C(=O)OC[*:1])c(C)n1Cc1cccs1
Cc1cc(C(=O)OCc2nncn2C2CC2)c(C)n1Cc1cccs1 C1CC1[*:1] Cc1cc(C(=O)OCc2nncn2[*:1])c(C)n1Cc1cccs1
Cc1cc(C(=O)OCc2nncn2C2CC2)c(C)n1Cc1cccs1 c1csc(c1)[*:1] Cc1cc(C(=O)OCc2nncn2C2CC2)c(C)n1C[*:1]
Cc1cc(C(=O)OCc2nncn2C2CC2)c(C)n1Cc1cccs1 c1csc(c1)C[*:1] Cc1cc(C(=O)OCc2nncn2C2CC2)c(C)n1[*:1]
C[C@H](O)C[C@H]1CCCN1C(=O)c1cnn2cc(Br)cnc12 C[C@H](O)C[*:1] O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]1[*:1]
C[C@H](O)C[C@H]1CCCN1C(=O)c1cnn2cc(Br)cnc12 C[C@H](O)[*:1] O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]1C[*:1]
CCn1c(=O)c2ccccc2n2c(COc3c(C)ccc(C)c3C)nnc12 Cc1ccc(C)c(c1C)[*:1] CCn1c(=O)c2ccccc2n2c(CO[*:1])nnc12
Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C#N)cc4F)cc(C)c3O)nc2c1 Cc1ccc2oc(nc2c1)[*:1] Cc1cc(cc(c1O)[*:1])NC(=O)c1ccc(C#N)cc1F
Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C#N)cc4F)cc(C)c3O)nc2c1 N#Cc1ccc(c(F)c1)[*:1] Cc1ccc2oc(nc2c1)-c1cc(cc(C)c1O)NC(=O)[*:1]
Cn1nccc1C[NH+](Cc1ccccc1)CC1(O)CCCC1 Cn1nccc1C[*:1] OC1(CCCC1)C[NH+](Cc1ccccc1)[*:1]
Cn1nccc1C[NH+](Cc1ccccc1)CC1(O)CCCC1 OC1(CCCC1)C[*:1] Cn1nccc1C[NH+](Cc1ccccc1)[*:1]
Cn1nccc1C[NH+](Cc1ccccc1)CC1(O)CCCC1 c1ccc(cc1)[*:1] Cn1nccc1C[NH+](CC1(O)CCCC1)C[*:1]
Cn1nccc1C[NH+](Cc1ccccc1)CC1(O)CCCC1 OC1(CCCC1)[*:1] Cn1nccc1C[NH+](Cc1ccccc1)C[*:1]
Cn1nccc1C[NH+](Cc1ccccc1)CC1(O)CCCC1 c1ccc(cc1)C[*:1] Cn1nccc1C[NH+](CC1(O)CCCC1)[*:1]
Cn1nccc1C[NH+](Cc1ccccc1)CC1(O)CCCC1 Cn1nccc1[*:1] OC1(CCCC1)C[NH+](Cc1ccccc1)C[*:1]
C[C@H](CNC(=O)N1CCS(=O)(=O)CC1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CCS(=O)(=O)CC1)O[*:1]
C[C@H](CNC(=O)N1CCS(=O)(=O)CC1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](CNC(=O)N1CCS(=O)(=O)CC1)[*:1]
CCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 CCOC(=O)[*:1] Nc1c(c2nc3ccccc3nc2n1Cc1ccco1)[*:1]
CCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 c1coc(c1)C[*:1] CCOC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
CCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 c1coc(c1)[*:1] CCOC(=O)c1c(N)n(C[*:1])c2nc3ccccc3nc12
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)cc1 Cc1ccc(o1)[*:1] Cc1ccc(cc1)NC(=O)CN1C(=O)SC(=C[*:1])C1=O
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(/C=C2/SC(=O)N(CC(=O)N[*:1])C2=O)o1
C[C@H]1CCc2ccccc2N1C(=O)CSc1nn(-c2ccccc2)c(=S)s1 c1ccc(cc1)[*:1] C[C@H]1CCc2ccccc2N1C(=O)CSc1nn(c(=S)s1)[*:1]
O=C(Nc1ccc(Oc2ccc(F)cc2)c2ccncc12)c1cnccn1 O=C(N[*:1])c1cnccn1 Fc1ccc(cc1)Oc1ccc(c2cnccc12)[*:1]
O=C(Nc1ccc(Oc2ccc(F)cc2)c2ccncc12)c1cnccn1 Fc1ccc(cc1)O[*:1] O=C(Nc1ccc(c2ccncc12)[*:1])c1cnccn1
O=C(Nc1ccc(Oc2ccc(F)cc2)c2ccncc12)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1ccc(Oc2ccc(F)cc2)c2ccncc12)[*:1]
O=C(Nc1ccc(Oc2ccc(F)cc2)c2ccncc12)c1cnccn1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(O[*:1])c2ccncc12)c1cnccn1
C[C@@H](C(=O)NCC1CCCCC1)[S@@](=O)Cc1cccc(F)c1 C1CCC(CC1)[*:1] C[C@@H](C(=O)NC[*:1])[S@@](=O)Cc1cccc(F)c1
C[C@@H](C(=O)NCC1CCCCC1)[S@@](=O)Cc1cccc(F)c1 C1CCC(CC1)C[*:1] C[C@@H](C(=O)N[*:1])[S@@](=O)Cc1cccc(F)c1
C[C@@H](C(=O)NCC1CCCCC1)[S@@](=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](C(=O)NCC1CCCCC1)[S@@](=O)C[*:1]
COc1cccc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 COc1cccc(c1)[*:1] O=C1C(=O)N(C(=O)N1CC(=O)[*:1])C1CCCC1
COc1cccc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 C1CCC(C1)[*:1] COc1cccc(c1)C(=O)CN1C(=O)C(=O)N(C1=O)[*:1]
Cc1nnc(NC(=O)NCCCN(C)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nnc(NC(=O)NCCCN(C)[*:1])s1
Cc1nnc(NC(=O)NCCCN(C)c2ccccc2)s1 Cc1nnc(s1)[*:1] CN(CCCNC(=O)N[*:1])c1ccccc1
Fc1cccnc1N1CC[C@@H](NCc2ncc(-c3ccccc3)s2)C1 Fc1cccnc1[*:1] c1ccc(cc1)-c1cnc(CN[C@@H]2CCN(C2)[*:1])s1
Fc1cccnc1N1CC[C@@H](NCc2ncc(-c3ccccc3)s2)C1 c1ccc(cc1)[*:1] Fc1cccnc1N1CC[C@H](C1)NCc1ncc(s1)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([S@](C)=O)cc1 CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])C(=O)Nc1ccc(cc1)[S@](C)=O
CCCC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 CCCC(=O)N[*:1] Cc1ccc(C[*:1])c(c1)OC[C@H]1CCOC1
CCCC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 C1C[C@@H](CO1)CO[*:1] CCCC(=O)NCc1ccc(C)cc1[*:1]
CCCC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 CCC[*:1] Cc1ccc(CNC(=O)[*:1])c(c1)OC[C@H]1CCOC1
CCCC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 CCCC(=O)NC[*:1] Cc1ccc(c(c1)OC[C@H]1CCOC1)[*:1]
CCCC(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] CCCC(=O)NCc1ccc(C)cc1OC[*:1]
c1coc(C[NH2+]Cc2ccc3[nH]ccc3c2)c1 c1coc(c1)[*:1] c1cc2cc(ccc2[nH]1)C[NH2+]C[*:1]
O=c1cccc(-c2ccc(OC(F)(F)F)cc2)[nH]1 FC(F)(F)O[*:1] O=c1cccc([nH]1)-c1ccc(cc1)[*:1]
O=c1cccc(-c2ccc(OC(F)(F)F)cc2)[nH]1 FC(F)(F)[*:1] O=c1cccc([nH]1)-c1ccc(cc1)O[*:1]
CCCN(CCC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F CCC[*:1] CCCN(C(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1)[*:1]
CC(C)C(=O)NCc1cc(=O)oc2ccc(C(C)(C)C)cc12 CC(C)C(=O)NC[*:1] CC(C)(C)c1ccc2oc(=O)cc(c2c1)[*:1]
CC(C)C(=O)NCc1cc(=O)oc2ccc(C(C)(C)C)cc12 CC(C)C(=O)N[*:1] CC(C)(C)c1ccc2oc(=O)cc(C[*:1])c2c1
CC(C)C(=O)NCc1cc(=O)oc2ccc(C(C)(C)C)cc12 CC(C)[*:1] CC(C)(C)c1ccc2oc(=O)cc(CNC(=O)[*:1])c2c1
CC(C)C(=O)NCc1cc(=O)oc2ccc(C(C)(C)C)cc12 CC(C)(C)[*:1] CC(C)C(=O)NCc1cc(=O)oc2ccc(cc12)[*:1]
Cc1ccc(C2=NN=C(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1nnc2ccc(cn12)C(F)(F)F)C1CC(=NN=1)[*:1]
Cc1ccc(C2=NN=C(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)C2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)C1CC(=NN=1)C(=O)NCc1nnc2ccc(cn12)[*:1]
O=C(C1=C([O-])C(=O)N(CCN2CC[NH2+]CC2)[C@H]1c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CCN2CC[NH2+]CC2)[C@@H]1[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(CCN2CC[NH2+]CC2)[C@H]1c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(F)cc2)N1CCN1CC[NH2+]CC1
O=C(C1=C([O-])C(=O)N(CCN2CC[NH2+]CC2)[C@H]1c1ccc(F)cc1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@H](c2ccc(F)cc2)N1CCN1CC[NH2+]CC1)[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccs2)CC1 Cc1ccccc1[*:1] O=C(c1cccs1)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)[*:1]
COC(=O)c1sc2nc(C)nc(NCCC(=O)NC(C)C)c2c1C CC(C)NC(=O)C[*:1] COC(=O)c1sc2nc(C)nc(NC[*:1])c2c1C
COC(=O)c1sc2nc(C)nc(NCCC(=O)NC(C)C)c2c1C CC(C)NC(=O)CC[*:1] COC(=O)c1sc2nc(C)nc(N[*:1])c2c1C
COC(=O)c1sc2nc(C)nc(NCCC(=O)NC(C)C)c2c1C COC(=O)[*:1] Cc1nc(NCCC(=O)NC(C)C)c2c(C)c(sc2n1)[*:1]
COC(=O)c1sc2nc(C)nc(NCCC(=O)NC(C)C)c2c1C CC(C)NC(=O)[*:1] COC(=O)c1sc2nc(C)nc(NCC[*:1])c2c1C
COC(=O)c1sc2nc(C)nc(NCCC(=O)NC(C)C)c2c1C CC(C)[*:1] COC(=O)c1sc2nc(C)nc(NCCC(=O)N[*:1])c2c1C
CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccccc2O)CC1 Oc1ccccc1[*:1] CC(C)[C@@H](C)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccccc2O)CC1 CC(C)[*:1] C[C@@H](NC(=O)C1CCN(CC1)C(=O)c1ccccc1O)[*:1]
CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccccc2O)CC1 CC(C)[C@@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccccc1O
Cc1ccc(OCCNC(=O)NCc2cc3ccccc3[nH]2)cc1 Cc1ccc(cc1)O[*:1] O=C(NCC[*:1])NCc1cc2ccccc2[nH]1
Cc1ccc(OCCNC(=O)NCc2cc3ccccc3[nH]2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCO[*:1])NCc1cc2ccccc2[nH]1
N#Cc1csc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1 N#Cc1csc(c1)[*:1] O=C(Nc1c(nc2ccccn12)-c1ccccc1)[*:1]
N#Cc1csc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1 c1ccc(cc1)[*:1] N#Cc1csc(c1)C(=O)Nc1c(nc2ccccn12)[*:1]
COC1CCC(N(C)C(=O)c2cnn(CC(C)C)c2C2CC2)CC1 CC(C)[*:1] COC1CCC(CC1)N(C)C(=O)c1cnn(C[*:1])c1C1CC1
COC1CCC(N(C)C(=O)c2cnn(CC(C)C)c2C2CC2)CC1 CC(C)C[*:1] COC1CCC(CC1)N(C)C(=O)c1cnn(c1C1CC1)[*:1]
COC1CCC(N(C)C(=O)c2cnn(CC(C)C)c2C2CC2)CC1 C1CC1[*:1] COC1CCC(CC1)N(C)C(=O)c1cnn(CC(C)C)c1[*:1]
COC1CCC(N(C)C(=O)c2cnn(CC(C)C)c2C2CC2)CC1 COC1CCC(CC1)[*:1] CC(C)Cn1ncc(C(=O)N(C)[*:1])c1C1CC1
O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2c(c1)OCCO2 O=C([O-])[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1C[C@@H](O)C[C@@H]1[*:1]
CCC[NH+]1CCN(C(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)CC1 CCC[*:1] O=C([O-])[C@@H]1C=C[C@@H](C1)NC(=O)N1CC[NH+](CC1)[*:1]
CCC[NH+]1CCN(C(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)CC1 O=C([O-])[*:1] CCC[NH+]1CCN(CC1)C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
COCc1c(C(=O)NNC(=O)c2cccc(N(C)C)c2)sc2cccc(F)c12 CN(C)[*:1] COCc1c(sc2cccc(F)c12)C(=O)NNC(=O)c1cccc(c1)[*:1]
COCc1c(C(=O)NNC(=O)c2cccc(N(C)C)c2)sc2cccc(F)c12 COC[*:1] CN(C)c1cccc(c1)C(=O)NNC(=O)c1sc2cccc(F)c2c1[*:1]
COCc1c(C(=O)NNC(=O)c2cccc(N(C)C)c2)sc2cccc(F)c12 CN(C)c1cccc(c1)[*:1] COCc1c(sc2cccc(F)c12)C(=O)NNC(=O)[*:1]
CC[C@]1(N(C)C)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@]1(C(=O)N(C(=O)N1[*:1])c1ccccc1)N(C)C
CC[C@]1(N(C)C)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 CN(C)[*:1] CC[C@@]1(C(=O)N(C(=O)N1c1ccccc1)c1ccccc1)[*:1]
CC[C@]1(N(C)C)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@]1(C(=O)N(C(=O)N1c1ccccc1)[*:1])N(C)C
COC(=O)c1ccccc1CN1CC[C@@H](Oc2cc[nH+]cc2)C1 COC(=O)[*:1] c1ccc(c(c1)CN1CC[C@H](C1)Oc1cc[nH+]cc1)[*:1]
Cc1noc(C)c1CCCNC(=O)NCc1cccc(Br)c1 Cc1noc(C)c1[*:1] O=C(NCCC[*:1])NCc1cccc(Br)c1
Cc1noc(C)c1CCCNC(=O)NCc1cccc(Br)c1 Brc1cccc(c1)[*:1] Cc1noc(C)c1CCCNC(=O)NC[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 C[C@@H]1C[C@H]1[*:1] O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCN(CC1)C(=O)[*:1]
CC[NH+]1CCN(C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 c1ccc(cc1)C[*:1] CC[NH+]1CCN(CC1)C[C@@]1(O)CCCN(CC[*:1])C1=O
CC[NH+]1CCN(C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)C[C@@]1(O)CCCN(CCC[*:1])C1=O
CC[NH+]1CCN(C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 c1ccc(cc1)CC[*:1] CC[NH+]1CCN(CC1)C[C@@]1(O)CCCN(C[*:1])C1=O
Cc1ncc(C[NH2+]CC(C)C)n1Cc1ccc(O)cc1 CC(C)[*:1] Cc1ncc(C[NH2+]C[*:1])n1Cc1ccc(O)cc1
Cc1ncc(C[NH2+]CC(C)C)n1Cc1ccc(O)cc1 CC(C)C[*:1] Cc1ncc(C[NH2+][*:1])n1Cc1ccc(O)cc1
COCCNC(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 COCCNC(=O)[*:1] COc1ccc2c(c1)CCc1cc(sc1-2)[*:1]
COCCNC(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 COC[*:1] COc1ccc2c(c1)CCc1cc(sc1-2)C(=O)NC[*:1]
COCCNC(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 COCC[*:1] COc1ccc2c(c1)CCc1cc(sc1-2)C(=O)N[*:1]
C[NH+](C)C[C@@H]1COCCN(Cc2cccn2-c2ccc(Cl)cn2)C1 Clc1ccc(nc1)[*:1] C[NH+](C)C[C@@H]1COCCN(Cc2cccn2[*:1])C1
O=C(OCc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 c1ccc(cc1)[*:1] O=C(OC[*:1])c1ccc(c(O)c1)[N+](=O)[O-]
O=C(OCc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 O=[N+]([O-])[*:1] O=C(OCc1ccccc1)c1ccc(c(O)c1)[*:1]
Cc1cc(C)n2nc(C)c(C(=O)N[C@@H](C(N)=O)c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1cc(C)n2nc(C)c(C(=O)N[C@@H](C(N)=O)[*:1])c2n1
Cc1cc(C)n2nc(C)c(C(=O)N[C@@H](C(N)=O)c3ccccc3)c2n1 NC(=O)[*:1] Cc1cc(C)n2nc(C)c(C(=O)N[C@@H](c3ccccc3)[*:1])c2n1
Cc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1
Cc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)c1ccc2c(c1)nc(C)n2[*:1]
Cc1csc(NC(=O)NCCc2nc3ccccc3[nH]2)n1 Cc1csc(n1)[*:1] O=C(NCCc1nc2ccccc2[nH]1)N[*:1]
C[C@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)C[C@@H](C)S1 c1cn(nn1)[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)c1ccc(cc1)[*:1]
C[C@H](COc1ccccc1F)NC(=O)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] C[C@H](COc1ccccc1F)NC(=O)N1CCC(CC1)C[*:1]
C[C@H](COc1ccccc1F)NC(=O)N1CCC(CN2CCOCC2)CC1 Fc1ccccc1OC[*:1] C[C@H](NC(=O)N1CCC(CC1)CN1CCOCC1)[*:1]
C[C@H](COc1ccccc1F)NC(=O)N1CCC(CN2CCOCC2)CC1 Fc1ccccc1[*:1] C[C@H](CO[*:1])NC(=O)N1CCC(CC1)CN1CCOCC1
C[C@H](COc1ccccc1F)NC(=O)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] C[C@H](COc1ccccc1F)NC(=O)N1CCC(CC1)[*:1]
C[C@H](COc1ccccc1F)NC(=O)N1CCC(CN2CCOCC2)CC1 Fc1ccccc1O[*:1] C[C@H](C[*:1])NC(=O)N1CCC(CC1)CN1CCOCC1
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc2cccnc12 N#CC[*:1] C[C@@H](Sc1ccccc1NC(=O)NCc1cccc2cccnc12)[*:1]
Cc1ccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)c(C)c1 NC(=O)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)NCC1(CCOCC1)[*:1]
CCC(CC)n1ncc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1C CCC(CC)[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@@H]1CCCN(C1)c1ncccn1
CCC(CC)n1ncc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1C c1cnc(nc1)[*:1] CCC(CC)n1ncc(C(=O)NC[C@@H]2CCCN(C2)[*:1])c1C
Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1nn(-c2ccc(nn2)N2CCOCC2)c(C)c1CCC(=O)N1CCC(CC1)[*:1]
Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)N1CCC(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1nn(-c2ccc(nn2)N2CCOCC2)c(C)c1CCC(=O)N1CCC(CC1)C[*:1]
Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)N1CCC(Cc2ccccc2)CC1 c1cc(nnc1N1CCOCC1)[*:1] Cc1nn(c(C)c1CCC(=O)N1CCC(CC1)Cc1ccccc1)[*:1]
Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)N1CCC(Cc2ccccc2)CC1 C1CN(CCO1)[*:1] Cc1nn(-c2ccc(nn2)[*:1])c(C)c1CCC(=O)N1CCC(CC1)Cc1ccccc1
CCCn1cc(NC(=O)c2sc(-c3cnn(C)c3)nc2C)cn1 Cn1cc(cn1)[*:1] CCCn1cc(cn1)NC(=O)c1sc(nc1C)[*:1]
CCCn1cc(NC(=O)c2sc(-c3cnn(C)c3)nc2C)cn1 CCC[*:1] Cc1nc(sc1C(=O)Nc1cnn(c1)[*:1])-c1cnn(C)c1
CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(C)c3)ccc21 Cc1cccc(c1)[*:1] CCCN1C(=O)CCc2cc(ccc21)NS(=O)(=O)[*:1]
CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(C)c3)ccc21 CCC[*:1] Cc1cccc(c1)S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
Cc1ccccc1[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)C(C)(C)C Cc1ccccc1[*:1] CC(C)(C)[C@H](NC(=O)c1ccc2OCC(=O)Nc2c1)[*:1]
Cc1ccccc1[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@@H](NC(=O)c1ccc2OCC(=O)Nc2c1)[*:1]
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 FC(F)(F)[*:1] C[C@@H](c1nc(no1)-c1cccc(c1)[*:1])N1CCN(CC1)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] C[C@@H](c1nc(no1)-c1cccc(c1)C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@H](c1nc(no1)-c1cccc(c1)C(F)(F)F)N1CCN(CC1)C(=O)N[*:1]
C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 FC(F)(F)c1cccc(c1)[*:1] C[C@@H](c1nc(no1)[*:1])N1CCN(CC1)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
CSc1cc(C(F)(F)F)nc(-c2ccncc2)n1 FC(F)(F)[*:1] CSc1cc(nc(n1)-c1ccncc1)[*:1]
CSc1cc(C(F)(F)F)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CSc1cc(nc(n1)[*:1])C(F)(F)F
CCCn1c(C)nnc1SCC(=O)N1CCC[C@@H](C(N)=O)C1 NC(=O)[*:1] CCCn1c(C)nnc1SCC(=O)N1CCC[C@@H](C1)[*:1]
CCCn1c(C)nnc1SCC(=O)N1CCC[C@@H](C(N)=O)C1 CCC[*:1] Cc1nnc(SCC(=O)N2CCC[C@H](C2)C(N)=O)n1[*:1]
CC[C@](C)(NS(=O)(=O)c1cccc2ccccc12)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@](C)(NS(=O)(=O)c1cccc2ccccc12)[*:1]
C[C@H]([NH2+][C@H](C)[C@@H]1CN(C)CCO1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H]([NH2+][C@H](C)[C@@H]1CN(C)CCO1)[*:1]
Cc1ccccc1-c1ccc(SCC(=O)N2CCCc3ccccc32)nn1 Cc1ccccc1[*:1] O=C(CSc1ccc(nn1)[*:1])N1CCCc2ccccc21
C[NH+](C)Cc1c(C(=O)NCC[C@@H](O)c2ccccc2)oc2ccccc12 O[C@@H](c1ccccc1)[*:1] C[NH+](C)Cc1c(oc2ccccc12)C(=O)NCC[*:1]
C[NH+](C)Cc1c(C(=O)NCC[C@@H](O)c2ccccc2)oc2ccccc12 c1ccc(cc1)[*:1] C[NH+](C)Cc1c(oc2ccccc12)C(=O)NCC[C@@H](O)[*:1]
COCCOCCNC(=O)N[C@@H]1C[C@@H]1C C[C@H]1C[C@H]1[*:1] COCCOCCNC(=O)N[*:1]
COCCOCCNC(=O)N[C@@H]1C[C@@H]1C COC[*:1] C[C@H]1C[C@H]1NC(=O)NCCOC[*:1]
COCCOCCNC(=O)N[C@@H]1C[C@@H]1C COCCO[*:1] C[C@H]1C[C@H]1NC(=O)NCC[*:1]
COCCOCCNC(=O)N[C@@H]1C[C@@H]1C COCC[*:1] C[C@H]1C[C@H]1NC(=O)NCCO[*:1]
CC(=O)N[C@@H](C)C(=O)N1CCCc2cc(F)ccc21 CC(=O)N[C@@H](C)[*:1] O=C(N1CCCc2cc(F)ccc21)[*:1]
CC(=O)N[C@@H](C)C(=O)N1CCCc2cc(F)ccc21 CC(=O)N[*:1] C[C@@H](C(=O)N1CCCc2cc(F)ccc21)[*:1]
CCOc1ccccc1-n1c(C)cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 CCOc1ccccc1[*:1] Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1[*:1]
CCOc1ccccc1-n1c(C)cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 CC(C)C[*:1] CCOc1ccccc1-n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
CCOc1ccccc1-n1c(C)cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 CCO[*:1] Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1-c1ccccc1[*:1]
CCOc1ccccc1-n1c(C)cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 CC(C)[*:1] CCOc1ccccc1-n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CC[C@]1(C)NC(=O)N(/N=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)C1=O c1coc(c1)[*:1] CC[C@]1(C)NC(=O)N(/N=C/c2ccc(OC(=O)[*:1])c(c2)OC)C1=O
CC[C@]1(C)NC(=O)N(/N=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)C1=O O=C(O[*:1])c1ccco1 CC[C@]1(C)NC(=O)N(/N=C/c2ccc(c(c2)OC)[*:1])C1=O
CN(C)C(=O)C[NH+](C)Cc1nc(-c2cccs2)no1 CN(C)C(=O)C[*:1] C[NH+](Cc1nc(no1)-c1cccs1)[*:1]
CN(C)C(=O)C[NH+](C)Cc1nc(-c2cccs2)no1 c1csc(c1)[*:1] CN(C)C(=O)C[NH+](C)Cc1nc(no1)[*:1]
CN(C)C(=O)C[NH+](C)Cc1nc(-c2cccs2)no1 CN(C)C(=O)[*:1] C[NH+](Cc1nc(no1)-c1cccs1)C[*:1]
CCN(CC(C)(C)O)C1=NS(=O)(=O)c2ccccc21 CC(C)(O)[*:1] CCN(C[*:1])C1=NS(=O)(=O)c2ccccc21
CCN(CC(C)(C)O)C1=NS(=O)(=O)c2ccccc21 CC(C)(O)C[*:1] CCN(C1=NS(=O)(=O)c2ccccc21)[*:1]
COC(=O)c1sccc1N/C=C(\C#N)S(=O)(=O)C(C)(C)C COC(=O)[*:1] CC(C)(C)S(=O)(=O)/C(C#N)=C/Nc1ccsc1[*:1]
COC(=O)c1sccc1N/C=C(\C#N)S(=O)(=O)C(C)(C)C CC(C)(C)[*:1] COC(=O)c1sccc1N/C=C(\C#N)S(=O)(=O)[*:1]
COC(=O)c1sccc1N/C=C(\C#N)S(=O)(=O)C(C)(C)C CC(C)(C)S(=O)(=O)[*:1] COC(=O)c1sccc1NC=C(C#N)[*:1]
Cc1ccccc1SCC(=O)N[C@H]1CCc2c(O)cccc21 Cc1ccccc1[*:1] O=C(CS[*:1])N[C@H]1CCc2c(O)cccc21
O=C([O-])[C@H]1C[C@H](O)CN1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C([O-])[C@H]1C[C@H](O)CN1C(=O)[C@@H]1CC(=O)N(C1)[*:1]
O=C([O-])[C@H]1C[C@H](O)CN1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 O=C([O-])[*:1] O=C1C[C@H](CN1C1CC1)C(=O)N1C[C@@H](O)C[C@@H]1[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 COc1ccccc1[*:1] CC(C)(C)NC(=O)c1ccc(cc1)NC(=O)C=C[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)[*:1] COc1ccccc1/C=C/C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccccc1/C=C/C(=O)Nc1ccc(cc1)C(=O)N[*:1]
O=C(CC1CCCCC1)NNC(=O)Cn1ccnc1 c1cn(cn1)C[*:1] O=C(CC1CCCCC1)NNC(=O)[*:1]
O=C(CC1CCCCC1)NNC(=O)Cn1ccnc1 c1cn(cn1)[*:1] O=C(CC1CCCCC1)NNC(=O)C[*:1]
O=C(CC1CCCCC1)NNC(=O)Cn1ccnc1 C1CCC(CC1)[*:1] O=C(Cn1ccnc1)NNC(=O)C[*:1]
COCc1cccc(NC(=O)N[C@@H]2COc3c(cccc3OC)C2)c1 COC[*:1] COc1cccc2C[C@@H](COc21)NC(=O)Nc1cccc(c1)[*:1]
NC(=O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 NC(=O)[*:1] O=C(c1ccc2OCOc2c1)N1CCC(CC1)[*:1]
O=C([O-])C1CN(C(=O)c2c(F)cc(Br)cc2F)C1 O=C([O-])[*:1] O=C(c1c(F)cc(Br)cc1F)N1CC(C1)[*:1]
Cn1c(SCc2nc3ccccc3c(=O)n2Cc2ccco2)nc2ccccc21 c1coc(c1)C[*:1] Cn1c(nc2ccccc21)SCc1nc2ccccc2c(=O)n1[*:1]
Cn1c(SCc2nc3ccccc3c(=O)n2Cc2ccco2)nc2ccccc21 c1coc(c1)[*:1] Cn1c(nc2ccccc21)SCc1nc2ccccc2c(=O)n1C[*:1]
CCc1nn2c(nnc3c(=O)n(Cc4cccnc4)ccc32)c1-c1ccc(F)cc1 c1cncc(c1)C[*:1] CCc1nn2c(nnc3c(=O)n(ccc32)[*:1])c1-c1ccc(F)cc1
CCc1nn2c(nnc3c(=O)n(Cc4cccnc4)ccc32)c1-c1ccc(F)cc1 c1cncc(c1)[*:1] CCc1nn2c(nnc3c(=O)n(ccc32)C[*:1])c1-c1ccc(F)cc1
CCc1nn2c(nnc3c(=O)n(Cc4cccnc4)ccc32)c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1nn2c(nnc3c(=O)n(ccc32)Cc2cccnc2)c1[*:1]
Nc1[nH]nc(-c2ccc(Br)o2)c1-c1ccc2c(c1)OCO2 Brc1ccc(o1)[*:1] Nc1[nH]nc(c1-c1ccc2OCOc2c1)[*:1]
C[C@H](O)CN1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 Fc1ccccc1[*:1] C[C@H](O)CN1CCN(CC1)C(=O)C(C)(C)[*:1]
C[C@H](O)CN1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 C[C@H](O)[*:1] CC(C)(C(=O)N1CCN(CC1)C[*:1])c1ccccc1F
C[C@H](O)CN1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 C[C@H](O)C[*:1] CC(C)(C(=O)N1CCN(CC1)[*:1])c1ccccc1F
CNC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CC[C@H](C)C2 O=C1CCC(=O)N1[*:1] CNC(=O)c1c(NC(=O)C[*:1])sc2C[C@@H](C)CCc21
CNC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CC[C@H](C)C2 O=C1CCC(=O)N1C[*:1] CNC(=O)c1c(NC(=O)[*:1])sc2C[C@@H](C)CCc21
CNC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CC[C@H](C)C2 CNC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)CN1C(=O)CCC1=O)c2[*:1]
Cc1nc(C)c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 C1CC1[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
Cc1nc(C)c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 FC(F)(F)[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1
Cc1nc(C)c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)o1 Cc1nc(C)c(o1)[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
CCOCC[NH+]1C[C@H](C)S[C@@H](C)C1 CCOC[*:1] C[C@H]1C[NH+](C[C@H](C)S1)C[*:1]
CCOCC[NH+]1C[C@H](C)S[C@@H](C)C1 CCO[*:1] C[C@H]1C[NH+](CC[*:1])C[C@H](C)S1
COC(=O)[C@]1(F)CCN(Cc2cnn3c2NCCC3)C1 COC(=O)[*:1] F[C@@]1(CCN(Cc2cnn3CCCNc23)C1)[*:1]
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1 c1ccc2oc(nc2c1)[*:1] O=C(NC(=S)Nc1cccc(c1)[*:1])c1ccccc1
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC(=S)Nc1cccc(c1)-c1nc2ccccc2o1)[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 Cc1cccc(n1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 Clc1ccc(cc1Cl)[*:1] Cc1cccc(n1)NC(=O)[C@H]1CCCN1C(=O)[*:1]
COc1ccccc1-n1c([O-])nc2nc(NCc3cc(F)cc(F)c3)ncc2c1=O Fc1cc(F)cc(c1)C[*:1] COc1ccccc1-n1c([O-])nc2nc(ncc2c1=O)N[*:1]
COc1ccccc1-n1c([O-])nc2nc(NCc3cc(F)cc(F)c3)ncc2c1=O Fc1cc(F)cc(c1)[*:1] COc1ccccc1-n1c([O-])nc2nc(ncc2c1=O)NC[*:1]
COc1ccccc1-n1c([O-])nc2nc(NCc3cc(F)cc(F)c3)ncc2c1=O Fc1cc(F)cc(c1)CN[*:1] COc1ccccc1-n1c([O-])nc2nc(ncc2c1=O)[*:1]
COc1ccccc1-n1c([O-])nc2nc(NCc3cc(F)cc(F)c3)ncc2c1=O COc1ccccc1[*:1] O=c1c2cnc(nc2nc([O-])n1[*:1])NCc1cc(F)cc(F)c1
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[C@@H](C)c1nc(C)cs1 C1CO[C@@H](C1)[*:1] COc1ccccc1CN(C[*:1])C(=O)N[C@@H](C)c1nc(C)cs1
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[C@@H](C)c1nc(C)cs1 C1CO[C@@H](C1)C[*:1] COc1ccccc1CN(C(=O)N[C@@H](C)c1nc(C)cs1)[*:1]
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[C@@H](C)c1nc(C)cs1 COc1ccccc1C[*:1] Cc1csc(n1)[C@H](C)NC(=O)N(C[C@@H]1CCCO1)[*:1]
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[C@@H](C)c1nc(C)cs1 COc1ccccc1[*:1] Cc1csc(n1)[C@H](C)NC(=O)N(C[C@@H]1CCCO1)C[*:1]
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[C@@H](C)c1nc(C)cs1 Cc1csc(n1)[*:1] COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N[C@@H](C)[*:1]
CCOc1cccc2c1OCC(C(=O)NNc1cc(F)c(F)c(F)c1)=C2 CCO[*:1] O=C(NNc1cc(F)c(F)c(F)c1)C1=Cc2cccc(c2OC1)[*:1]
COc1ccc(CN(Cc2cccs2)C(=O)c2ccc(F)cc2F)cc1OC c1csc(c1)C[*:1] COc1ccc(cc1OC)CN(C(=O)c1ccc(F)cc1F)[*:1]
COc1ccc(CN(Cc2cccs2)C(=O)c2ccc(F)cc2F)cc1OC Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1OC)CN(Cc1cccs1)C(=O)[*:1]
COc1ccc(CN(Cc2cccs2)C(=O)c2ccc(F)cc2F)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)CN(C[*:1])C(=O)c1ccc(F)cc1F
COc1cccc(OCC(=O)N(Cc2ccccn2)c2nc3c(C)cc(C)cc3s2)c1 COc1cccc(c1)OC[*:1] Cc1cc(C)c2nc(sc2c1)N(Cc1ccccn1)C(=O)[*:1]
COc1cccc(OCC(=O)N(Cc2ccccn2)c2nc3c(C)cc(C)cc3s2)c1 COc1cccc(c1)[*:1] Cc1cc(C)c2nc(sc2c1)N(Cc1ccccn1)C(=O)CO[*:1]
COc1cccc(OCC(=O)N(Cc2ccccn2)c2nc3c(C)cc(C)cc3s2)c1 c1ccc(C[*:1])nc1 COc1cccc(c1)OCC(=O)N(c1nc2c(C)cc(C)cc2s1)[*:1]
COc1cccc(OCC(=O)N(Cc2ccccn2)c2nc3c(C)cc(C)cc3s2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)OCC(=O)N(C[*:1])c1nc2c(C)cc(C)cc2s1
COc1cccc(OCC(=O)N(Cc2ccccn2)c2nc3c(C)cc(C)cc3s2)c1 COc1cccc(c1)O[*:1] Cc1cc(C)c2nc(sc2c1)N(Cc1ccccn1)C(=O)C[*:1]
C#CCN(Cc1ccc(OCc2ccc(C)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)CO[*:1] C#CCN(Cc1ccc(cc1)[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(Cc1ccc(OCc2ccc(C)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)[*:1] C#CCN(Cc1ccc(cc1)OC[*:1])[C@@H]1CCS(=O)(=O)C1
C#CCN(Cc1ccc(OCc2ccc(C)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] Cc1ccc(cc1)COc1ccc(cc1)CN([C@@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(Cc1ccc(OCc2ccc(C)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)C[*:1] C#CCN(Cc1ccc(cc1)O[*:1])[C@@H]1CCS(=O)(=O)C1
CCOc1ccc(NC(=O)Cn2c(C)nc3c(sc4ncccc43)c2=O)cc1 CCOc1ccc(cc1)[*:1] Cc1nc2c(sc3ncccc32)c(=O)n1CC(=O)N[*:1]
CCOc1ccc(NC(=O)Cn2c(C)nc3c(sc4ncccc43)c2=O)cc1 CCO[*:1] Cc1nc2c(sc3ncccc32)c(=O)n1CC(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)/C=C/c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)C=C[*:1]
O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)/C=C/c1ccco1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)/C=C/c1ccco1
O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)/C=C/c1ccco1 C(=C[*:1])c1ccco1 O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
CN(Cc1cccs1)C(=O)NCCc1ccc(OC(F)F)cc1 c1csc(c1)C[*:1] CN(C(=O)NCCc1ccc(cc1)OC(F)F)[*:1]
CN(Cc1cccs1)C(=O)NCCc1ccc(OC(F)F)cc1 FC(F)[*:1] CN(Cc1cccs1)C(=O)NCCc1ccc(cc1)O[*:1]
CN(Cc1cccs1)C(=O)NCCc1ccc(OC(F)F)cc1 c1csc(c1)[*:1] CN(C[*:1])C(=O)NCCc1ccc(cc1)OC(F)F
CN(Cc1cccs1)C(=O)NCCc1ccc(OC(F)F)cc1 FC(F)O[*:1] CN(Cc1cccs1)C(=O)NCCc1ccc(cc1)[*:1]
O=S(=O)(CCN1CCN(c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(CCN1CCN(CC1)c1ccccc1)[*:1]
O=S(=O)(CCN1CCN(c2ccccc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(CCN1CCN(CC1)[*:1])c1ccccc1
C[NH+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1nccn1C(F)F FC(F)n1ccnc1[*:1] C[NH+](CC(=O)NC1CCC2(CC1)OCCO2)C[*:1]
C[NH+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1nccn1C(F)F FC(F)[*:1] C[NH+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1nccn1[*:1]
CN(CC(=O)OCc1nc2ccccc2o1)Cc1ccccc1 c1ccc(cc1)C[*:1] CN(CC(=O)OCc1nc2ccccc2o1)[*:1]
CN(CC(=O)OCc1nc2ccccc2o1)Cc1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)OCc1nc2ccccc2o1)C[*:1]
Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CC(=O)[*:1]
Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CC(=O)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1C[*:1]
CCCCn1c(=O)n(C)c(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cnc21 CCCC[*:1] Cn1c(=O)c2cc(cnc2n(c1=O)[*:1])C(=O)c1cc(Cl)ccc1O
CCCCn1c(=O)n(C)c(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cnc21 CCC[*:1] Cn1c(=O)c2cc(cnc2n(C[*:1])c1=O)C(=O)c1cc(Cl)ccc1O
CCCCn1c(=O)n(C)c(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cnc21 Oc1ccc(Cl)cc1[*:1] CCCCn1c(=O)n(C)c(=O)c2cc(cnc21)C(=O)[*:1]
CCOc1ccc2c(c1)CN(C(=O)c1cnc([C@H]3CCCO3)s1)CC2 CCO[*:1] O=C(c1cnc(s1)[C@H]1CCCO1)N1CCc2ccc(cc2C1)[*:1]
CCC(CC)NC(=O)C(=O)Nc1cc(NC(C)=O)ccc1Cl CCC(CC)[*:1] CC(=O)Nc1ccc(Cl)c(c1)NC(=O)C(=O)N[*:1]
CCC(CC)NC(=O)C(=O)Nc1cc(NC(C)=O)ccc1Cl CC(=O)N[*:1] CCC(CC)NC(=O)C(=O)Nc1cc(ccc1Cl)[*:1]
CCn1ccc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)n1 c1sc(nc1[*:1])C1CC1 CCn1ccc(n1)-c1nc(no1)-c1ccc(cc1)[*:1]
CCn1ccc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)n1 CCn1ccc(n1)[*:1] c1cc(ccc1-c1csc(n1)C1CC1)-c1noc(n1)[*:1]
CCn1ccc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)n1 C1CC1[*:1] CCn1ccc(n1)-c1nc(no1)-c1ccc(cc1)-c1csc(n1)[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)cc4F)CC3)c2)no1 Fc1ccc(c(F)c1)[*:1] CCc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)cc4F)CC3)c2)no1 CCc1nc(no1)[*:1] O=C(Nc1ccc(F)cc1F)C1CCN(CC1)S(=O)(=O)c1cc(cs1)[*:1]
Cc1nonc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 Cc1nonc1[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccccc1
Cc1nonc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] Cc1nonc1NC(=O)c1cc(nc2ccccc12)[*:1]
COCCOC1CCN(c2ccc(C#N)c(Cl)c2)CC1 COC[*:1] N#Cc1ccc(cc1Cl)N1CCC(CC1)OC[*:1]
COCCOC1CCN(c2ccc(C#N)c(Cl)c2)CC1 COCC[*:1] N#Cc1ccc(cc1Cl)N1CCC(CC1)O[*:1]
COCCOC1CCN(c2ccc(C#N)c(Cl)c2)CC1 COCCO[*:1] N#Cc1ccc(cc1Cl)N1CCC(CC1)[*:1]
O=C(COc1ccccc1)N1CCc2cc(F)ccc2C1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCc2cc(F)ccc2C1
O=C(COc1ccccc1)N1CCc2cc(F)ccc2C1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCc2cc(F)ccc2C1
O=C(NC[C@H]1CCCN(c2ncccn2)C1)N[C@@H]1CCN(c2ccccc2)C1=O c1cnc(nc1)[*:1] O=C(NC[C@H]1CCCN(C1)[*:1])N[C@@H]1CCN(C1=O)c1ccccc1
O=C(NC[C@H]1CCCN(c2ncccn2)C1)N[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)N[C@@H]1CCN(C1=O)[*:1]
COC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F COC(=O)C[*:1] O=C(NC[*:1])[C@H]1C[C@H]1c1ccccc1C(F)(F)F
COC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F COC(=O)[*:1] O=C(NCC[*:1])[C@H]1C[C@H]1c1ccccc1C(F)(F)F
COC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] COC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccccc1[*:1]
COC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F COC(=O)CC[*:1] O=C(N[*:1])[C@H]1C[C@H]1c1ccccc1C(F)(F)F
Cc1ccc(/C=C/CC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 Cn1ccnc1[*:1] Cc1ccc(/C=C/CC(=O)N[C@H](c2ccc(F)cc2)[*:1])cc1
Cc1ccc(/C=C/CC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 Cc1ccc(C=C[*:1])cc1 Cn1ccnc1[C@H](NC(=O)C[*:1])c1ccc(F)cc1
Cc1ccc(/C=C/CC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 Cc1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)CC=C[*:1])c1ccc(F)cc1
Cc1ccc(/C=C/CC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(/C=C/CC(=O)N[C@H](c2nccn2C)[*:1])cc1
COCc1cc(C(=O)N2CCC[C@@H](COC)C2)no1 COC[*:1] COCc1cc(no1)C(=O)N1CCC[C@@H](C1)[*:1]
COCc1cc(C(=O)N2CCC[C@@H](COC)C2)no1 COC[*:1] COC[C@@H]1CCCN(C1)C(=O)c1cc(on1)[*:1]
C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(Br)c(F)c1 c1ccc(nc1)[*:1] C[C@H]([NH2+][C@@H]1CCN(C1)[*:1])c1ccc(Br)c(F)c1
CCO[C@H](CCNC(=O)c1ccc(F)cc1Cl)C(C)C CCO[*:1] CC(C)[C@@H](CCNC(=O)c1ccc(F)cc1Cl)[*:1]
CCO[C@H](CCNC(=O)c1ccc(F)cc1Cl)C(C)C CC(C)[*:1] CCO[C@H](CCNC(=O)c1ccc(F)cc1Cl)[*:1]
O=C([O-])c1cccc2cccc([S@](=O)c3ccccc3CO)c12 O=C([O-])[*:1] O=[S@](c1ccccc1CO)c1cccc2cccc(c12)[*:1]
O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] O=C(Nc1nc(cs1)-c1ccc2ccccc2c1)c1ccc(cc1)[*:1]
O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 c1ccc2cc(ccc2c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccc(cc1)N1C(=O)CCC1=O
CC(C)n1nc(Oc2nc(N(C)C)nc(N(C)C)n2)ccc1=O CN(C)[*:1] CC(C)n1nc(ccc1=O)Oc1nc(nc(n1)[*:1])N(C)C
CC(C)n1nc(Oc2nc(N(C)C)nc(N(C)C)n2)ccc1=O CC(C)[*:1] CN(C)c1nc(nc(n1)N(C)C)Oc1ccc(=O)n(n1)[*:1]
Cc1ccc(S(=O)(=O)Oc2cccc3cccnc23)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)[*:1])S(=O)(=O)Oc1cccc2cccnc12
CNC(=O)c1cccc(OC(=O)Cc2c[nH]c3ccccc23)c1 CNC(=O)[*:1] O=C(Cc1c[nH]c2ccccc12)Oc1cccc(c1)[*:1]
c1ccc2c(c1)OC[C@@H]2CC1(C[NH2+]C2CC2)CC1 C1CC1[*:1] c1ccc2c(c1)OC[C@@H]2CC1(CC1)C[NH2+][*:1]
CCc1nn2c(c1-c1ccc(OC)c(OC)c1)NC(=O)[C@@H]2CC(=O)Nc1ccc(Cl)c(Cl)c1 O=C(Nc1ccc(Cl)c(Cl)c1)[*:1] CCc1nn2c(NC(=O)[C@@H]2C[*:1])c1-c1ccc(OC)c(c1)OC
CCc1nn2c(c1-c1ccc(OC)c(OC)c1)NC(=O)[C@@H]2CC(=O)Nc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)N[*:1])c1-c1ccc(OC)c(c1)OC
CCc1nn2c(c1-c1ccc(OC)c(OC)c1)NC(=O)[C@@H]2CC(=O)Nc1ccc(Cl)c(Cl)c1 COc1ccc(cc1OC)[*:1] CCc1nn2c(NC(=O)[C@@H]2CC(=O)Nc2ccc(Cl)c(Cl)c2)c1[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CCCn4c(C)nnc43)cc2F)n1 Cc1cc(C)n(n1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)c1ccc(c(F)c1)[*:1]
Cc1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1 Nc1nonc1[*:1] Cc1ccc(cc1)Cn1c(nc2ccccc21)[*:1]
Cc1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1 Cc1ccc(cc1)[*:1] Nc1nonc1-c1nc2ccccc2n1C[*:1]
O=C(c1ncoc1-c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(c1ncoc1-c1cccs1)N1CCN(CC1)C[*:1]
O=C(c1ncoc1-c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1csc(c1)[*:1] O=C(c1ncoc1[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
COc1cc(/C=N/NC(=O)c2ccccc2OC)c([N+](=O)[O-])cc1OC COc1ccccc1[*:1] COc1cc(/C=N/NC(=O)[*:1])c(cc1OC)[N+](=O)[O-]
COc1cc(/C=N/NC(=O)c2ccccc2OC)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1cc(/C=N/NC(=O)c2ccccc2OC)c(cc1OC)[*:1]
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[*:1]
O=C(C#Cc1ccccc1)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F C(#C[*:1])c1ccccc1 O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[*:1]
O=C(C#Cc1ccccc1)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F c1ccc(cc1)[*:1] O=C(C#C[*:1])N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F
O=C(C#Cc1ccccc1)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(C#Cc1ccccc1)N[C@@H]1CCCc2c1cnn2[*:1]
CC(=O)c1cc(-c2ccccc2)nnc1C CC(=O)[*:1] Cc1nnc(cc1[*:1])-c1ccccc1
CCCOC[C@@H](NC)c1ccc(Br)cc1C(F)(F)F FC(F)(F)[*:1] CCCOC[C@@H](NC)c1ccc(Br)cc1[*:1]
CCCOC[C@@H](NC)c1ccc(Br)cc1C(F)(F)F CCCO[*:1] CN[C@H](C[*:1])c1ccc(Br)cc1C(F)(F)F
CCCOC[C@@H](NC)c1ccc(Br)cc1C(F)(F)F CCCOC[*:1] CN[C@@H](c1ccc(Br)cc1C(F)(F)F)[*:1]
CCCOC[C@@H](NC)c1ccc(Br)cc1C(F)(F)F CCC[*:1] CN[C@H](CO[*:1])c1ccc(Br)cc1C(F)(F)F
COc1ccc2nc(C(=O)NCC[C@H](O)c3ccccc3)ccc2c1 O[C@H](c1ccccc1)[*:1] COc1ccc2nc(ccc2c1)C(=O)NCC[*:1]
COc1ccc2nc(C(=O)NCC[C@H](O)c3ccccc3)ccc2c1 c1ccc(cc1)[*:1] COc1ccc2nc(ccc2c1)C(=O)NCC[C@H](O)[*:1]
Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)s1 CC(C)[*:1] Cc1nc(C[*:1])c(NC(=O)C(=O)N[C@H]2CC[C@@H](C2)[NH+](C)C)s1
Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)s1 CC(C)C[*:1] Cc1nc(c(NC(=O)C(=O)N[C@H]2CC[C@@H](C2)[NH+](C)C)s1)[*:1]
C[NH+](C)[C@H]1CC[C@H](NS(=O)(=O)CCC(C)(C)C)C1 CC(C)(C)C[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NS(=O)(=O)C[*:1]
C[NH+](C)[C@H]1CC[C@H](NS(=O)(=O)CCC(C)(C)C)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NS(=O)(=O)CC[*:1]
C[NH+](C)[C@H]1CC[C@H](NS(=O)(=O)CCC(C)(C)C)C1 CC(C)(C)CC[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NS(=O)(=O)[*:1]
CN(C(=O)c1cn(C)nc1C(C)(C)C)C1CCC1 CC(C)(C)[*:1] CN(C(=O)c1cn(C)nc1[*:1])C1CCC1
CN(C(=O)c1cn(C)nc1C(C)(C)C)C1CCC1 C1CC(C1)[*:1] CN(C(=O)c1cn(C)nc1C(C)(C)C)[*:1]
Cc1ccc(NC(=O)Nc2cc(N3CCC(C)CC3)ncn2)cc1F Cc1ccc(cc1F)[*:1] CC1CCN(CC1)c1cc(ncn1)NC(=O)N[*:1]
Cc1ccc(NC(=O)Nc2cc(N3CCC(C)CC3)ncn2)cc1F CC1CCN(CC1)[*:1] Cc1ccc(cc1F)NC(=O)Nc1cc(ncn1)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] C[C@H]1CC[C@@H]([C@@H](C1)OCC(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@H]1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)[C@H]1CC[C@H](C)C[C@H]1OCC(=O)N[*:1]
CN(C)c1cccc(CNN)c1 CN(C)[*:1] NNCc1cccc(c1)[*:1]
CN(C)c1cccc(CNN)c1 NNC[*:1] CN(C)c1cccc(c1)[*:1]
O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])[C@@H]1CCCO1
CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 c1ccc(nc1)[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(c1)O[*:1]
CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 c1ccc(nc1)O[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)[*:1])c1ccc(F)cc1
Cc1ccc(S(=O)(=O)[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)S(=O)(=O)[C@H](C)C(=O)N[C@H](C)[*:1]
C[NH2+][C@@H](C1CCCCC1)[C@H]1CCOC2(CCSCC2)C1 C1CCC(CC1)[*:1] C[NH2+][C@@H]([C@H]1CCOC2(CCSCC2)C1)[*:1]
Cc1cc(C)n(-c2cccc(C(=O)NCc3cccc(OC[C@H]4CCCO4)c3)c2)n1 Cc1cc(C)n(n1)[*:1] O=C(NCc1cccc(c1)OC[C@H]1CCCO1)c1cccc(c1)[*:1]
Cc1ccc(CC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc1O C1CO[C@@H](C1)[*:1] Cc1ccc(cc1O)CC(=O)N1CCO[C@H](C1)[*:1]
CCC(CC)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 Brc1ccc(cc1)[*:1] CCC(CC)NC(=O)C1CCN(CC1)C(=O)[*:1]
CCC(CC)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 CCC(CC)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(Br)cc1
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)[*:1]
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(Cl)s1 O=C(c1ccc(Cl)s1)[*:1] O=C1N[C@@]2(CCc3ccccc32)C(=O)N1C[*:1]
COC(=O)[C@@H]1O[C@@]12CCCCC2(C)C COC(=O)[*:1] CC1(C)CCCC[C@@]12O[C@H]2[*:1]
Cc1nc(NC(=O)c2cc3c([nH]c2=O)CCCC3)sc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc(NC(=O)c2cc3CCCCc3[nH]c2=O)sc1[*:1]
C=CCn1c([O-])c(C(=O)NCc2ccccc2OC)c(=O)c2ccccc21 COc1ccccc1C[*:1] C=CCn1c([O-])c(C(=O)N[*:1])c(=O)c2ccccc21
C=CCn1c([O-])c(C(=O)NCc2ccccc2OC)c(=O)c2ccccc21 C=CC[*:1] COc1ccccc1CNC(=O)c1c([O-])n(c2ccccc2c1=O)[*:1]
C=CCn1c([O-])c(C(=O)NCc2ccccc2OC)c(=O)c2ccccc21 COc1ccccc1[*:1] C=CCn1c([O-])c(C(=O)NC[*:1])c(=O)c2ccccc21
C=CCN(C(=O)CCCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 C=CC[*:1] Cc1ccc(cc1)CCCC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C=CCN(C(=O)CCCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 Cc1ccc(cc1)[*:1] C=CCN(C(=O)CCC[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(COc1cccc(I)c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 Ic1cccc(c1)O[*:1] O=C(C[*:1])N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1
O=C(COc1cccc(I)c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(COc1cccc(I)c1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(COc1cccc(I)c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 Ic1cccc(c1)[*:1] O=C(CO[*:1])N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cc1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 O=S(=O)(N1CCCCC1)[*:1] C[C@H](NC(=O)Cc1ccc(cc1)[*:1])c1ccccc1
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)N1CCCCC1)N[*:1]
CC(C)(C)CSC(=S)N1CCCCC1 CC(C)(C)[*:1] S=C(SC[*:1])N1CCCCC1
CCN(C)C(=O)[C@@H](C)NC(=O)c1cc(-c2cc(OC)ccc2OC)on1 CCN(C)C(=O)[*:1] COc1ccc(OC)c(c1)-c1cc(no1)C(=O)N[C@H](C)[*:1]
C=CCNC(=O)c1ccc2c(c1)CCCC2 C=CC[*:1] O=C(N[*:1])c1ccc2CCCCc2c1
Cc1nc(COc2cccc(C(F)(F)F)c2)oc1C FC(F)(F)[*:1] Cc1nc(COc2cccc(c2)[*:1])oc1C
CCCCc1nc(C)c(C(=O)N(CC(N)=O)C2CCCC2)s1 C1CCC(C1)[*:1] CCCCc1nc(C)c(s1)C(=O)N(CC(N)=O)[*:1]
CCCCc1nc(C)c(C(=O)N(CC(N)=O)C2CCCC2)s1 CCC[*:1] Cc1nc(C[*:1])sc1C(=O)N(CC(N)=O)C1CCCC1
CCCCc1nc(C)c(C(=O)N(CC(N)=O)C2CCCC2)s1 NC(=O)[*:1] CCCCc1nc(C)c(s1)C(=O)N(C[*:1])C1CCCC1
CCCCc1nc(C)c(C(=O)N(CC(N)=O)C2CCCC2)s1 NC(=O)C[*:1] CCCCc1nc(C)c(s1)C(=O)N(C1CCCC1)[*:1]
CCCCc1nc(C)c(C(=O)N(CC(N)=O)C2CCCC2)s1 CCCC[*:1] Cc1nc(sc1C(=O)N(CC(N)=O)C1CCCC1)[*:1]
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(Br)ccc1Cl CC(C)[*:1] CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cc(Br)ccc1Cl)[*:1]
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(Br)ccc1Cl Clc1ccc(Br)cc1[*:1] CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)[*:1]
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(Br)ccc1Cl CC(C)(C)[*:1] CC(C)[C@](C)(CNC(=O)O[*:1])NC(=O)c1cc(Br)ccc1Cl
CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(Br)ccc1Cl CC(C)(C)OC(=O)N[*:1] CC(C)[C@](C)(C[*:1])NC(=O)c1cc(Br)ccc1Cl
COC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 COC(=O)[C@H](C)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
COC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 COC(=O)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[C@@H](C)[*:1]
COC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] COC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)CCC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 CC(C)CC[*:1] O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)[*:1]
CC(C)CCC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 CC(C)[*:1] O=C(CC[*:1])N[C@@H]1C[C@H]1c1cccc(Cl)c1
CC(C)CCC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 CC(C)C[*:1] O=C(C[*:1])N[C@@H]1C[C@H]1c1cccc(Cl)c1
CC(=O)O/N=C1\CCCC\C1=C/C(C)C CC(C)[*:1] CC(=O)O/N=C1\CCCCC1=C[*:1]
CC(C)CC(=O)N1CCC(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)CC1 CC(C)C[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])N1C[C@H]2CCCC[C@@H]2C1
CC(C)CC(=O)N1CCC(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)CC1 CC(C)[*:1] O=C(C[*:1])N1CCC(CC1)NC(=O)N1C[C@H]2CCCC[C@@H]2C1
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)N[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 COC(=O)[*:1] CC(C)([C@@H]1CCCN(C1)C(=O)Nc1ccccc1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 COC(=O)C(C)(C)[*:1] O=C(Nc1ccccc1)N1CCC[C@H](C1)[*:1]
CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O CCOc1cc(ccc1O)[*:1] COC(=O)C1=C(C)NC2C[C@@H](CC(=O)C=2[C@@H]1[*:1])c1ccc(cc1)OC
CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O COC(=O)[*:1] CCOc1cc(ccc1O)[C@H]1C2C(=O)C[C@H](CC=2NC(C)=C1[*:1])c1ccc(cc1)OC
CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O CCO[*:1] COC(=O)C1=C(C)NC2C[C@@H](CC(=O)C=2[C@@H]1c1ccc(O)c(c1)[*:1])c1ccc(cc1)OC
CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O COc1ccc(cc1)[*:1] CCOc1cc(ccc1O)[C@@H]1C(C(=O)OC)=C(C)NC2C[C@H](CC(=O)C=21)[*:1]
CCN(C(=O)c1n[nH]c(C(C)(C)C)n1)C1CCC([NH3+])CC1 [NH3+]C1CCC(CC1)[*:1] CCN(C(=O)c1n[nH]c(n1)C(C)(C)C)[*:1]
CCN(C(=O)c1n[nH]c(C(C)(C)C)n1)C1CCC([NH3+])CC1 CC(C)(C)[*:1] CCN(C(=O)c1n[nH]c(n1)[*:1])C1CCC([NH3+])CC1
COc1ccc(CN(CN2C(=O)C[C@@H]2c2ccccc2)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C1C[C@H](c2ccccc2)N1CN(C[*:1])C1CC1
COc1ccc(CN(CN2C(=O)C[C@@H]2c2ccccc2)C2CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CN(CN1C(=O)C[C@H]1[*:1])C1CC1
COc1ccc(CN(CN2C(=O)C[C@@H]2c2ccccc2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(CN1C(=O)C[C@@H]1c1ccccc1)[*:1]
CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2csc(-c3ccc(O)cc3)n2)CC1 Oc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)Cc1ccccc1CNC(=O)c1csc(n1)[*:1]
Oc1cccc([C@H]2CN(Cc3cc(F)c(F)cc3F)CCO2)c1 Oc1cccc(c1)[*:1] Fc1cc(F)c(cc1F)CN1CCO[C@H](C1)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl)[*:1]
Cc1cccc(C(=O)N[C@H](C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl
Cc1cccc(C(=O)N[C@H](C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)C(C)C)c1 Clc1cccc(Cl)c1[*:1] Cc1cccc(c1)C(=O)N[C@H](C(=O)N(C)CC(=O)N[*:1])C(C)C
Cc1cccc(C(=O)N[C@H](C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)C(C)C)c1 Cc1cccc(c1)C(=O)N[*:1] CC(C)[C@@H](C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl)[*:1]
CC(C)C(=O)[C@H]1CCOC2(CCSCC2)C1 CC(C)[*:1] O=C([C@H]1CCOC2(CCSCC2)C1)[*:1]
CC(C)C(=O)[C@H]1CCOC2(CCSCC2)C1 CC(C)C(=O)[*:1] C1C[C@@H](CC2(CCSCC2)O1)[*:1]
Cc1n[nH]cc1CN1CCC[C@H](c2nccs2)C1 Cc1n[nH]cc1[*:1] c1csc(n1)[C@H]1CCCN(C1)C[*:1]
Cc1n[nH]cc1CN1CCC[C@H](c2nccs2)C1 c1csc(n1)[*:1] Cc1n[nH]cc1CN1CCC[C@H](C1)[*:1]
Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 Cc1ccc2oc(nc2c1)[*:1] Cc1ccc(cc1NC(=S)NC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc2oc(nc2c1)-c1ccc(C)c(c1)NC(=S)NC(=O)[*:1]
Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 O=[N+]([O-])[*:1] Cc1ccc2oc(nc2c1)-c1ccc(C)c(c1)NC(=S)NC(=O)c1ccc(cc1)[*:1]
COc1cc(CN(C)C(=O)c2cnn(C)c2C)c(SC)cc1OC Cc1c(cnn1C)[*:1] COc1cc(CN(C)C(=O)[*:1])c(cc1OC)SC
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(C)n[nH]c2C)C1=O Cc1n[nH]c(C)c1[*:1] CC[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(C)n[nH]c2C)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(CC(=O)Nc2c(C)n[nH]c2C)C1=O)[*:1]
COC(=O)c1ccc(C)c(N[C@H]2CS[C@H](C)C2)c1 COC(=O)[*:1] Cc1ccc(cc1N[C@H]1CS[C@H](C)C1)[*:1]
Cc1ccc(/C=C/CC(=O)N(C)[C@H]2CCCc3nc(C)sc32)cc1 Cc1ccc(cc1)[*:1] Cc1nc2CCC[C@@H](c2s1)N(C)C(=O)CC=C[*:1]
CC(C)SCCNC(=O)c1cnn2ccn(C)c12 CC(C)SC[*:1] Cn1ccn2ncc(C(=O)NC[*:1])c12
CC(C)SCCNC(=O)c1cnn2ccn(C)c12 CC(C)[*:1] Cn1ccn2ncc(C(=O)NCCS[*:1])c12
CC(C)SCCNC(=O)c1cnn2ccn(C)c12 CC(C)SCC[*:1] Cn1ccn2ncc(C(=O)N[*:1])c12
CC(C)SCCNC(=O)c1cnn2ccn(C)c12 CC(C)S[*:1] Cn1ccn2ncc(C(=O)NCC[*:1])c12
O=C(Cn1c(=O)[nH]c2ccccc21)Nc1cccc(-c2cn[nH]c2)c1 c1n[nH]cc1[*:1] O=C(Cn1c(=O)[nH]c2ccccc21)Nc1cccc(c1)[*:1]
COc1ccc(Cl)c(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 FC(F)(F)[*:1] COc1ccc(Cl)c(c1)NC(=O)N1CC[C@](O)(C1)[*:1]
C[C@@H](CCO)S[C@@H](C)C(=O)Nc1c(N)cc(Cl)cc1Cl OCC[*:1] C[C@H](S[C@H](C)[*:1])C(=O)Nc1c(N)cc(Cl)cc1Cl
C[C@@H](CCO)S[C@@H](C)C(=O)Nc1c(N)cc(Cl)cc1Cl C[C@@H](CCO)[*:1] C[C@H](S[*:1])C(=O)Nc1c(N)cc(Cl)cc1Cl
C[C@@H](CCO)S[C@@H](C)C(=O)Nc1c(N)cc(Cl)cc1Cl C[C@@H](CCO)S[*:1] C[C@@H](C(=O)Nc1c(N)cc(Cl)cc1Cl)[*:1]
C[C@H]1CN(CCC(=O)NC2CCCC2)CCN1c1nccs1 c1csc(n1)[*:1] C[C@H]1CN(CCC(=O)NC2CCCC2)CCN1[*:1]
C[C@H]1CN(CCC(=O)NC2CCCC2)CCN1c1nccs1 C1CCC(C1)[*:1] C[C@H]1CN(CCC(=O)N[*:1])CCN1c1nccs1
COC[C@H](C)NC(=O)c1ccc(C(=O)OC)cc1 COC(=O)[*:1] COC[C@H](C)NC(=O)c1ccc(cc1)[*:1]
COC[C@H](C)NC(=O)c1ccc(C(=O)OC)cc1 COC[C@H](C)[*:1] COC(=O)c1ccc(cc1)C(=O)N[*:1]
COC[C@H](C)NC(=O)c1ccc(C(=O)OC)cc1 COC[*:1] COC(=O)c1ccc(cc1)C(=O)N[C@@H](C)[*:1]
Clc1cccc(-c2nc3c(c(N4CCC[C@H]4c4[nH]cc[nH+]4)n2)CCCC3)c1 Clc1cccc(c1)[*:1] c1c[nH+]c([nH]1)[C@@H]1CCCN1c1nc(nc2CCCCc21)[*:1]
Cn1cc(CNc2ccc(CN3CCOC3=O)cc2)c(-c2ccccc2)n1 O=C1OCCN1[*:1] Cn1cc(CNc2ccc(cc2)C[*:1])c(n1)-c1ccccc1
Cn1cc(CNc2ccc(CN3CCOC3=O)cc2)c(-c2ccccc2)n1 O=C1OCCN1C[*:1] Cn1cc(CNc2ccc(cc2)[*:1])c(n1)-c1ccccc1
Cn1cc(CNc2ccc(CN3CCOC3=O)cc2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(CNc2ccc(cc2)CN2CCOC2=O)c(n1)[*:1]
CC(C)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 CC(C)C[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)NNC(=O)[*:1]
CC(C)CC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 CC(C)[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)NNC(=O)C[*:1]
CC[C@@H](C)C[C@@H]([NH3+])C(C)(C)N1CCOCC1 CC[C@@H](C)[*:1] CC(C)([C@H]([NH3+])C[*:1])N1CCOCC1
CC[C@@H](C)C[C@@H]([NH3+])C(C)(C)N1CCOCC1 CC[C@@H](C)C[*:1] CC(C)([C@H]([NH3+])[*:1])N1CCOCC1
N/C(NCCc1ccccn1)=[NH+]\Cc1ccc(N2CCCC2)nc1 c1ccc(CC[*:1])nc1 N/C(N[*:1])=[NH+]\Cc1ccc(nc1)N1CCCC1
N/C(NCCc1ccccn1)=[NH+]\Cc1ccc(N2CCCC2)nc1 c1ccc(nc1)[*:1] N/C(NCC[*:1])=[NH+]\Cc1ccc(nc1)N1CCCC1
N/C(NCCc1ccccn1)=[NH+]\Cc1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] N/C(NCCc1ccccn1)=[NH+]\Cc1ccc(nc1)[*:1]
N/C(NCCc1ccccn1)=[NH+]\Cc1ccc(N2CCCC2)nc1 c1ccc(C[*:1])nc1 N/C(NC[*:1])=[NH+]\Cc1ccc(nc1)N1CCCC1
CC(C)CS(=O)(=O)CC(=O)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CS(=O)(=O)CC(=O)N(C[*:1])c1ccccc1
CC(C)CS(=O)(=O)CC(=O)N(Cc1ccccc1)c1ccccc1 CC(C)CS(=O)(=O)C[*:1] O=C(N(Cc1ccccc1)c1ccccc1)[*:1]
CC(C)CS(=O)(=O)CC(=O)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)CS(=O)(=O)CC(=O)N(Cc1ccccc1)[*:1]
CC(C)CS(=O)(=O)CC(=O)N(Cc1ccccc1)c1ccccc1 CC(C)CS(=O)(=O)[*:1] O=C(C[*:1])N(Cc1ccccc1)c1ccccc1
CC(C)CS(=O)(=O)CC(=O)N(Cc1ccccc1)c1ccccc1 CC(C)C[*:1] O=C(CS(=O)(=O)[*:1])N(Cc1ccccc1)c1ccccc1
CC(C)CS(=O)(=O)CC(=O)N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] CC(C)CS(=O)(=O)CC(=O)N(c1ccccc1)[*:1]
CC(C)CS(=O)(=O)CC(=O)N(Cc1ccccc1)c1ccccc1 CC(C)[*:1] O=C(CS(=O)(=O)C[*:1])N(Cc1ccccc1)c1ccccc1
CC(C)[C@H](C)S(=O)(=O)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 CC(C)[*:1] C[C@H](S(=O)(=O)[C@H](C)C(=O)N1CCN(CC1)c1ccccc1)[*:1]
CC(C)[C@H](C)S(=O)(=O)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@H](C)S(=O)(=O)[C@H](C)C(=O)N1CCN(CC1)[*:1]
COc1ccc(OC)c(CCNC(=O)N(C)C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] COc1ccc(OC)c(c1)CCNC(=O)N(C)C[*:1]
O=C(c1cccnc1)N1CCC(C(=O)N2CCOCC2)CC1 c1cncc(c1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCOCC1
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCNC(=O)C2)c(C)c1 O=C1CN(CCN1)C(=O)[*:1] Cc1ccc(c(C)c1)-c1nn(cc1[*:1])-c1ccccc1
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCNC(=O)C2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(c(C)c1)-c1nn(cc1C(=O)N1CCNC(=O)C1)[*:1]
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCNC(=O)C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C1CN(CCN1)C(=O)c1cn(nc1[*:1])-c1ccccc1
Cc1ccc2cc(C(=O)OC[C@@H](C#N)Cc3cccs3)ccc2n1 c1csc(c1)[*:1] Cc1ccc2cc(ccc2n1)C(=O)OC[C@@H](C#N)C[*:1]
Cc1ccc2cc(C(=O)OC[C@@H](C#N)Cc3cccs3)ccc2n1 c1csc(c1)C[*:1] Cc1ccc2cc(ccc2n1)C(=O)OC[C@@H](C#N)[*:1]
CC(=O)c1ccc(N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cc1 CC(=O)[*:1] c1ccc2C[C@H](CCc2c1)[NH+]1CCN(CC1)c1ccc(cc1)[*:1]
Cc1cccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C)c1 O=C([O-])[*:1] Cc1cccc(c1)[C@H]1[C@@H](CC(=O)N1C)[*:1]
COc1ccc(C2(CNC(=O)NC[C@@H]3CN4CCCC[C@@H]4CO3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)NCC1(CC1)[*:1]
CC(=O)Nc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1 CC(=O)Nc1ccc(cc1)[*:1] O=C(CCc1nnc(o1)-c1cccc(c1)C(F)(F)F)N[*:1]
CC(=O)Nc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1 CC(=O)N[*:1] O=C(CCc1nnc(o1)-c1cccc(c1)C(F)(F)F)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1 FC(F)(F)c1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CCc1nnc(o1)[*:1]
CC(=O)Nc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1 FC(F)(F)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CCc1nnc(o1)-c1cccc(c1)[*:1]
CC[C@H](C)[C@@H](C[NH2+]C(C)C)S(C)(=O)=O CC(C)[*:1] CC[C@H](C)[C@@H](C[NH2+][*:1])S(C)(=O)=O
CC[C@H](C)[C@@H](C[NH2+]C(C)C)S(C)(=O)=O CC[C@H](C)[*:1] CC(C)[NH2+]C[C@@H](S(C)(=O)=O)[*:1]
CC[C@H](C)[C@@H](C[NH2+]C(C)C)S(C)(=O)=O CS(=O)(=O)[*:1] CC[C@H](C)[C@@H](C[NH2+]C(C)C)[*:1]
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Sc1ccccc1 c1cncc(c1)C[*:1] O=[N+]([O-])c1c(ncnc1Sc1ccccc1)N[*:1]
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Sc1ccccc1 c1cncc(c1)CN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Sc1ccccc1
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Sc1ccccc1 c1cncc(c1)[*:1] O=[N+]([O-])c1c(ncnc1Sc1ccccc1)NC[*:1]
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Sc1ccccc1 c1ccc(cc1)S[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NCc1cccnc1
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Sc1ccccc1 O=[N+]([O-])[*:1] c1ccc(cc1)Sc1ncnc(NCc2cccnc2)c1[*:1]
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Sc1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1S[*:1])NCc1cccnc1
CCCc1cc(C(=O)NCc2cccc(-n3cccn3)c2)n(C)n1 CCC[*:1] Cn1nc(cc1C(=O)NCc1cccc(c1)-n1cccn1)[*:1]
CCCc1cc(C(=O)NCc2cccc(-n3cccn3)c2)n(C)n1 c1cnn(c1)[*:1] CCCc1cc(C(=O)NCc2cccc(c2)[*:1])n(C)n1
Cc1nc(SCC(=O)Nc2ccccc2C)c2oc3ccccc3c2n1 Cc1ccccc1[*:1] Cc1nc(SCC(=O)N[*:1])c2oc3ccccc3c2n1
C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 O=C(Nc1nccs1)[*:1] C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(cc1)[*:1]
C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCC1(CC)[C@@H](NC(=O)Cc2c(C)noc2C)[C@@H](C)[C@@H]1OC Cc1noc(C)c1[*:1] CCC1(CC)[C@@H](NC(=O)C[*:1])[C@@H](C)[C@@H]1OC
COC(=O)[C@@]1(F)CCN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C1 COC(=O)[*:1] O=C([C@H]1Cc2cc(F)ccc2O1)N1CC[C@](F)(C1)[*:1]
O=S(=O)(Nc1nc2c(Br)cccc2s1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(Nc1nc2c(Br)cccc2s1)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(F)cc1N CCC[*:1] C[C@H](C(=O)Nc1ccc(F)cc1N)S(=O)(=O)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(F)cc1N CCCS(=O)(=O)[*:1] C[C@H](C(=O)Nc1ccc(F)cc1N)[*:1]
Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)c2ocnc2C)CC1 Cc1ccccc1[*:1] Cc1ncoc1C(=O)NCc1ccc[nH+]c1N1CCN(CC1)[*:1]
Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)c2ocnc2C)CC1 Cc1ncoc1C(=O)N[*:1] Cc1ccccc1N1CCN(CC1)c1[nH+]cccc1C[*:1]
Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)c2ocnc2C)CC1 Cc1ncoc1[*:1] Cc1ccccc1N1CCN(CC1)c1[nH+]cccc1CNC(=O)[*:1]
N#CCC1(CN2CCO[C@H](CC(=O)[O-])C2)CC1 O=C([O-])C[*:1] N#CCC1(CC1)CN1CCO[C@H](C1)[*:1]
N#CCC1(CN2CCO[C@H](CC(=O)[O-])C2)CC1 O=C([O-])[*:1] N#CCC1(CC1)CN1CCO[C@@H](C1)C[*:1]
N#CCC1(CN2CCO[C@H](CC(=O)[O-])C2)CC1 N#CC[*:1] O=C([O-])C[C@@H]1CN(CCO1)CC1(CC1)[*:1]
CCC[NH2+][C@@H](c1ccc(F)c(C)c1)[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] CCC[NH2+][C@@H](c1ccc(F)c(C)c1)[C@@H](C)[*:1]
CCC[NH2+][C@@H](c1ccc(F)c(C)c1)[C@@H](C)c1ccncc1 CCC[*:1] Cc1cc(ccc1F)[C@H]([NH2+][*:1])[C@@H](C)c1ccncc1
CCCN(/C=N/c1sc2c(c1C#N)CCCC2)CCC CCC[*:1] CCCN(/C=N/c1sc2CCCCc2c1C#N)[*:1]
CN1CCN(C[C@H](CS)C(C)(C)C)C(=O)C1=O CC(C)(C)[*:1] CN1CCN(C[C@H](CS)[*:1])C(=O)C1=O
C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N1CCOCC1 O=[N+]([O-])[*:1] C[C@@H](CNC(=O)CCc1cccc(c1)[*:1])N1CCOCC1
C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)CCc1cccc(c1)[N+](=O)[O-])[*:1]
Fc1cccc2c1CN(c1ccc(OC(F)F)cn1)CC2 FC(F)[*:1] Fc1cccc2CCN(Cc12)c1ccc(cn1)O[*:1]
Fc1cccc2c1CN(c1ccc(OC(F)F)cn1)CC2 FC(F)O[*:1] Fc1cccc2CCN(Cc12)c1ccc(cn1)[*:1]
Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](O)[*:1]
Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl Cc1nn(C)c(C)c1[*:1] O=C(CC[*:1])NC[C@@H](O)c1c(Cl)cccc1Cl
CCCc1nc(N2CCN(CC(=O)NC3CCCCC3)CC2)c(C#N)c2c1CCC2 O=C(C[*:1])NC1CCCCC1 CCCc1nc(c(C#N)c2CCCc12)N1CCN(CC1)[*:1]
CCCc1nc(N2CCN(CC(=O)NC3CCCCC3)CC2)c(C#N)c2c1CCC2 O=C(NC1CCCCC1)[*:1] CCCc1nc(c(C#N)c2CCCc12)N1CCN(CC1)C[*:1]
CCCc1nc(N2CCN(CC(=O)NC3CCCCC3)CC2)c(C#N)c2c1CCC2 C1CCC(CC1)[*:1] CCCc1nc(c(C#N)c2CCCc12)N1CCN(CC1)CC(=O)N[*:1]
CCCc1nc(N2CCN(CC(=O)NC3CCCCC3)CC2)c(C#N)c2c1CCC2 CCC[*:1] N#Cc1c(nc(c2CCCc12)[*:1])N1CCN(CC1)CC(=O)NC1CCCCC1
CC(=O)N1CCC(Cc2cccc(Nc3cnccn3)n2)CC1 c1cnc(cn1)[*:1] CC(=O)N1CCC(CC1)Cc1cccc(n1)N[*:1]
CC(=O)N1CCC(Cc2cccc(Nc3cnccn3)n2)CC1 c1cnc(cn1)N[*:1] CC(=O)N1CCC(CC1)Cc1cccc(n1)[*:1]
O[C@@H](CN1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 C1CC1[*:1] O[C@@H](CN1CC[NH+](CC1)C[*:1])c1ccc(Br)cc1
O[C@@H](CN1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 C1CC1C[*:1] O[C@@H](CN1CC[NH+](CC1)[*:1])c1ccc(Br)cc1
[NH3+][C@@H]1CCCc2sc(-c3ncc[nH]3)nc21 c1c[nH]c(n1)[*:1] [NH3+][C@@H]1CCCc2sc(nc21)[*:1]
CCc1ccc(Cn2cc(CC[NH3+])nn2)cc1 [NH3+]CC[*:1] CCc1ccc(cc1)Cn1cc(nn1)[*:1]
N#Cc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(F)cc2)cc1Cl N#Cc1ccc(cc1Cl)[*:1] O=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1)N[*:1]
N#Cc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(F)cc2)cc1Cl Fc1ccc(cc1)[*:1] N#Cc1ccc(cc1Cl)NC(=O)CNc1ccccc1C(=O)N[*:1]
N#Cc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(F)cc2)cc1Cl O=C(Nc1ccc(F)cc1)[*:1] N#Cc1ccc(cc1Cl)NC(=O)CNc1ccccc1[*:1]
Cc1ccc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1F Cc1ccc(cc1F)[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1F N#Cc1ccccc1[*:1] Cc1ccc(cc1F)CNC(=O)N1CCCN(CC1)[*:1]
Cc1ccc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1F Cc1ccc(cc1F)C[*:1] N#Cc1ccccc1N1CCCN(CC1)C(=O)N[*:1]
C[C@@]1(c2noc([C@@H]3CNc4ccccc4O3)n2)CCCO1 C[C@]1(CCCO1)[*:1] c1ccc2O[C@@H](CNc2c1)c1nc(no1)[*:1]
Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(c4nc(C#N)c(C#N)nc42)C3(C)C)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC1(C)[C@@]2(C)CC[C@]1(C(=O)N[*:1])c1nc(C#N)c(C#N)nc12
COc1ccc(S(=O)(=O)N(CCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 OCC[*:1] COc1ccc(cc1)S(=O)(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)[*:1]
COc1ccc(S(=O)(=O)N(CCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c2cc(CN(CCO)S(=O)(=O)[*:1])c(=O)[nH]c2c1
O=C(Nc1ccccc1)[C@@H]1CC(=O)n2c(nc3ccccc32)S1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)n2c(nc3ccccc32)S1
COC(=O)c1ccc(C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1 COC(=O)[*:1] COc1ccccc1C1(CCOCC1)CNC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1 COc1ccccc1[*:1] COC(=O)c1ccc(cc1)C(=O)NCC1(CCOCC1)[*:1]
COc1cc(C2(C(=O)O[C@H]3CC[C@@H](S(C)(=O)=O)C3)CC2)ccc1C CS(=O)(=O)[*:1] COc1cc(ccc1C)C1(CC1)C(=O)O[C@H]1CC[C@@H](C1)[*:1]
CCOc1ccc2nc(NC[C@@H]3CCCOC3)sc2c1 CCO[*:1] c1cc2nc(NC[C@@H]3CCCOC3)sc2cc1[*:1]
CCOc1ccc2nc(NC[C@@H]3CCCOC3)sc2c1 C1COC[C@@H](C1)[*:1] CCOc1ccc2nc(NC[*:1])sc2c1
COc1cccc(N2CC(=O)N(NC(=O)c3sc4[nH+]c(C)cc(C)c4c3N)CC2=O)c1 COc1cccc(c1)[*:1] Cc1cc(C)c2c(N)c(sc2[nH+]1)C(=O)NN1CC(=O)N(CC1=O)[*:1]
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccncc1 CC(C)(c1ccncc1)[*:1] C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[*:1]
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccncc1 N#Cc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)NCC(C)(C)c1ccncc1
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)[*:1]
CCCC(=O)Nc1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1C(=O)OC Clc1cccc(c1)[*:1] CCCC(=O)Nc1sc(C(=O)N[*:1])c(C)c1C(=O)OC
CCCC(=O)Nc1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1C(=O)OC COC(=O)[*:1] CCCC(=O)Nc1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1[*:1]
CCCC(=O)Nc1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1C(=O)OC CCCC(=O)N[*:1] COC(=O)c1c(sc(C(=O)Nc2cccc(Cl)c2)c1C)[*:1]
CCCC(=O)Nc1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1C(=O)OC CCC[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)Nc2cccc(Cl)c2)c1C
CC(C)[NH+]1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1 FC(F)(F)[*:1] CC(C)[NH+]1CCC(CC1)C(=O)Nc1nnc(s1)[*:1]
CC(C)[NH+]1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1 CC(C)[*:1] O=C(Nc1nnc(s1)C(F)(F)F)C1CC[NH+](CC1)[*:1]
COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2cccc(OC)c2)C(=O)CC3)C1 COc1cccc(c1)C[*:1] COCC(=O)N1CCC[C@@H](C1)c1nc(C)c2CCC(=O)N(c2n1)[*:1]
COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2cccc(OC)c2)C(=O)CC3)C1 COC[*:1] COc1cccc(c1)CN1C(=O)CCc2c(C)nc(nc21)[C@H]1CCCN(C1)C(=O)[*:1]
COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2cccc(OC)c2)C(=O)CC3)C1 COc1cccc(c1)[*:1] COCC(=O)N1CCC[C@@H](C1)c1nc(C)c2CCC(=O)N(C[*:1])c2n1
Cc1ccccc1C1(CNC(=O)NC[C@@H](C)C[C@H](C)O)CC1 C[C@H](O)C[*:1] Cc1ccccc1C1(CC1)CNC(=O)NC[C@@H](C)[*:1]
Cc1ccccc1C1(CNC(=O)NC[C@@H](C)C[C@H](C)O)CC1 Cc1ccccc1[*:1] C[C@H](O)C[C@H](C)CNC(=O)NCC1(CC1)[*:1]
Cc1ccccc1C1(CNC(=O)NC[C@@H](C)C[C@H](C)O)CC1 C[C@H](O)[*:1] Cc1ccccc1C1(CC1)CNC(=O)NC[C@@H](C)C[*:1]
O=C(CCCOCc1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 c1ccc(cc1)[*:1] O=C(CCCOC[*:1])N1CCC[C@H](C1)n1cc[nH+]c1
O=C(CCCOCc1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 c1ccc(cc1)CO[*:1] O=C(CCC[*:1])N1CCC[C@H](C1)n1cc[nH+]c1
O=C(CCCOCc1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 c1ccc(cc1)C[*:1] O=C(CCCO[*:1])N1CCC[C@H](C1)n1cc[nH+]c1
COc1ccc(CN(C)C(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)cc1 COc1ccc(cc1)[*:1] CN(C[*:1])C(=O)NC[C@@H]1C[C@@]12CCc1ccccc12
Cc1ccc(C(=O)Nc2cccnc2Oc2ccccc2)cc1F c1ccc(cc1)O[*:1] Cc1ccc(cc1F)C(=O)Nc1cccnc1[*:1]
Cc1ccc(C(=O)Nc2cccnc2Oc2ccccc2)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)C(=O)Nc1cccnc1O[*:1]
Cc1ccc(C(=O)Nc2cccnc2Oc2ccccc2)cc1F Cc1ccc(cc1F)[*:1] O=C(Nc1cccnc1Oc1ccccc1)[*:1]
CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cc(C(C)C)n[nH]1 Fc1ccc(cc1)[*:1] CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](CN2C(=O)c1cc(n[nH]1)C(C)C)[*:1]
CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cc(C(C)C)n[nH]1 CC(C)[*:1] CC(=O)N1CCC[C@@H]2[C@H]1[C@H](CN2C(=O)c1cc(n[nH]1)[*:1])c1ccc(F)cc1
CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cc(C(C)C)n[nH]1 CC(C)c1cc([nH]n1)[*:1] CC(=O)N1CCC[C@@H]2[C@H]1[C@H](CN2C(=O)[*:1])c1ccc(F)cc1
N#C[C@@]1([C@H](O)c2ccsc2)CCc2ccccc21 c1cc(cs1)[*:1] N#C[C@]1(CCc2ccccc21)[C@H](O)[*:1]
C[C@@H](NC(=O)/C=C/c1cscn1)c1nc(-c2ccccc2)cs1 c1nc(cs1)[*:1] C[C@@H](NC(=O)C=C[*:1])c1nc(cs1)-c1ccccc1
C[C@@H](NC(=O)/C=C/c1cscn1)c1nc(-c2ccccc2)cs1 C(=C[*:1])c1cscn1 C[C@@H](NC(=O)[*:1])c1nc(cs1)-c1ccccc1
C[C@@H](NC(=O)/C=C/c1cscn1)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)/C=C/c1cscn1)c1nc(cs1)[*:1]
CCS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CC2CCCCC2)c1 CCS(=O)(=O)[*:1] O=C(CC1CCCCC1)NNC(=O)c1cc(ccc1Cl)[*:1]
CCS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CC2CCCCC2)c1 C1CCC(CC1)C[*:1] CCS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NNC(=O)[*:1]
CCS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CC2CCCCC2)c1 C1CCC(CC1)[*:1] CCS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NNC(=O)C[*:1]
NS(=O)(=O)c1ccc(C(=O)OCc2ccc(Br)cc2)cc1 NS(=O)(=O)[*:1] O=C(OCc1ccc(Br)cc1)c1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(C(=O)OCc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)C(=O)OC[*:1]
O=S(=O)(c1cccnc1)N1CCC[C@@H]1c1cccc(F)c1 c1cncc(c1)[*:1] O=S(=O)(N1CCC[C@@H]1c1cccc(F)c1)[*:1]
O=S(=O)(c1cccnc1)N1CCC[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=S(=O)(c1cccnc1)N1CCC[C@H]1[*:1]
Cc1nnc(NC(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)s1 Cc1nnc(s1)[*:1] O=C(COC(=O)Cn1ccc(=O)[nH]c1=O)N[*:1]
COc1ccc2c(C)cc(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1 FC(F)(F)[*:1] COc1ccc2c(C)cc(nc2c1)OCC(=O)Nc1ccc(cc1)O[*:1]
COc1ccc2c(C)cc(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1 FC(F)(F)O[*:1] COc1ccc2c(C)cc(nc2c1)OCC(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](CNC(=O)N[C@@H]1CCC[C@@H]1C(N)=O)c1ccccc1 NC(=O)[*:1] CC[C@@H](CNC(=O)N[C@@H]1CCC[C@H]1[*:1])c1ccccc1
CC[C@@H](CNC(=O)N[C@@H]1CCC[C@@H]1C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)N[C@@H]1CCC[C@@H]1C(N)=O)[*:1]
N#Cc1c([O-])nc(SCC(=O)Nc2ccccc2C(N)=O)nc1-c1ccccc1 NC(=O)c1ccccc1[*:1] N#Cc1c([O-])nc(nc1-c1ccccc1)SCC(=O)N[*:1]
N#Cc1c([O-])nc(SCC(=O)Nc2ccccc2C(N)=O)nc1-c1ccccc1 c1ccc(cc1)[*:1] N#Cc1c([O-])nc(nc1[*:1])SCC(=O)Nc1ccccc1C(N)=O
N#Cc1c([O-])nc(SCC(=O)Nc2ccccc2C(N)=O)nc1-c1ccccc1 NC(=O)[*:1] N#Cc1c([O-])nc(nc1-c1ccccc1)SCC(=O)Nc1ccccc1[*:1]
COc1ccccc1N1/C(=N/C(=O)Cc2cccs2)S[C@H]2CS(=O)(=O)C[C@H]21 COc1ccccc1[*:1] O=C(Cc1cccs1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
COc1ccccc1N1/C(=N/C(=O)Cc2cccs2)S[C@H]2CS(=O)(=O)C[C@H]21 c1csc(c1)[*:1] COc1ccccc1N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
COc1ccccc1N1/C(=N/C(=O)Cc2cccs2)S[C@H]2CS(=O)(=O)C[C@H]21 c1csc(c1)C[*:1] COc1ccccc1N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@H]21
CCO[C@@H]1CCCN(C(=O)Cc2csc(-c3ccoc3)n2)C1 CCO[*:1] O=C(Cc1csc(n1)-c1ccoc1)N1CCC[C@H](C1)[*:1]
CCO[C@@H]1CCCN(C(=O)Cc2csc(-c3ccoc3)n2)C1 c1cc(co1)[*:1] CCO[C@@H]1CCCN(C1)C(=O)Cc1csc(n1)[*:1]
NC(=O)c1ccc(/C=C/C(=O)NCCSc2ccccc2)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NCCSc1ccccc1
NC(=O)c1ccc(/C=C/C(=O)NCCSc2ccccc2)cc1 c1ccc(cc1)S[*:1] NC(=O)c1ccc(/C=C/C(=O)NCC[*:1])cc1
NC(=O)c1ccc(/C=C/C(=O)NCCSc2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(/C=C/C(=O)NCCS[*:1])cc1
O=C(COc1ccc(Br)cc1)Nc1nc(-c2cccs2)cs1 c1csc(c1)[*:1] O=C(COc1ccc(Br)cc1)Nc1nc(cs1)[*:1]
O=C(COc1ccc(Br)cc1)Nc1nc(-c2cccs2)cs1 Brc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1nc(cs1)-c1cccs1
O=C1OCCN1C[C@H]1CN(c2ccccc2)C(=O)O1 c1ccc(cc1)[*:1] O=C1OCCN1C[C@H]1CN(C(=O)O1)[*:1]
O=C1OCCN1C[C@H]1CN(c2ccccc2)C(=O)O1 O=C1OCCN1[*:1] O=C1O[C@H](CN1c1ccccc1)C[*:1]
O=C1CSc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)cc2N1 FC(F)(F)[*:1] O=C1CSc2ccc(cc2N1)NC(=O)[C@H]1CCCC[C@@H]1[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(N2CCCNC2=O)c1 Cc1ccccc1[*:1] O=C(Nc1cccc(c1)N1CCCNC1=O)[C@H]1C[C@H]1[*:1]
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(c1)[*:1]
O=C(NCC1(c2ccccc2)CCC1)C(=O)Nc1cccc(OC(F)F)c1 FC(F)[*:1] O=C(NCC1(CCC1)c1ccccc1)C(=O)Nc1cccc(c1)O[*:1]
O=C(NCC1(c2ccccc2)CCC1)C(=O)Nc1cccc(OC(F)F)c1 c1ccc(cc1)[*:1] O=C(NCC1(CCC1)[*:1])C(=O)Nc1cccc(c1)OC(F)F
O=C(NCC1(c2ccccc2)CCC1)C(=O)Nc1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(NCC1(CCC1)c1ccccc1)C(=O)Nc1cccc(c1)[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 C=CCNC(=O)[*:1] O=S(=O)([N-]c1cc(F)cc(F)c1)c1cccc(c1)[*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 Fc1cc(F)cc(c1)[*:1] C=CCNC(=O)c1cccc(c1)S(=O)(=O)[N-][*:1]
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 C=CC[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)[N-]c1cc(F)cc(F)c1
COc1ccc(CN(C(=O)/C=C/c2cc(C)ccc2OC)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)/C=C/c1cc(C)ccc1OC)[*:1]
COc1ccc(CN(C(=O)/C=C/c2cc(C)ccc2OC)C2CC2)cc1 COc1ccc(cc1)[*:1] COc1ccc(C)cc1/C=C/C(=O)N(C[*:1])C1CC1
NC(=O)CNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 FC(F)[*:1] NC(=O)CNC(=O)c1ccc(nc1)OCC(F)(F)[*:1]
NC(=O)CNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 NC(=O)[*:1] O=C(NC[*:1])c1ccc(nc1)OCC(F)(F)C(F)F
NC(=O)CNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 NC(=O)CNC(=O)[*:1] FC(F)C(F)(F)COc1ccc(cn1)[*:1]
NC(=O)CNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 FC(F)C(F)(F)[*:1] NC(=O)CNC(=O)c1ccc(nc1)OC[*:1]
NC(=O)CNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 NC(=O)C[*:1] O=C(N[*:1])c1ccc(nc1)OCC(F)(F)C(F)F
NC(=O)CNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 FC(F)C(F)(F)C[*:1] NC(=O)CNC(=O)c1ccc(nc1)O[*:1]
O=C(NCC1CCN(C(=O)c2ccccn2)CC1)C(=O)NC1CCCC1 c1ccc(nc1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])C(=O)NC1CCCC1
O=C(NCC1CCN(C(=O)c2ccccn2)CC1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(NCC1CCN(CC1)C(=O)c1ccccn1)C(=O)N[*:1]
CCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])C(=O)Nc1ccc2oc(=O)ccc2c1
CCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1[N+](=O)[O-] CCO[*:1] O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 CCC[C@@H](C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
CC(=O)c1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NC1CC[NH+](C)CC1
COc1ccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 NC(=O)[*:1] COc1ccc(cc1)CN1Cc2ccccc2C[C@H]1[*:1]
COc1ccc2oc(C(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)c(C)c2c1 Clc1ccccc1[*:1] COc1ccc2oc(C(=O)N3CCN(CC3)S(=O)(=O)[*:1])c(C)c2c1
Cc1cc(C)n2nc(SCC(=O)NCCSc3ccccc3)nc2n1 c1ccc(cc1)S[*:1] Cc1cc(C)n2nc(nc2n1)SCC(=O)NCC[*:1]
Cc1cc(C)n2nc(SCC(=O)NCCSc3ccccc3)nc2n1 c1ccc(cc1)[*:1] Cc1cc(C)n2nc(nc2n1)SCC(=O)NCCS[*:1]
Cc1cc(C)n2nc(SCC(=O)NCCSc3ccccc3)nc2n1 c1ccc(cc1)SC[*:1] Cc1cc(C)n2nc(nc2n1)SCC(=O)NC[*:1]
Cc1sc2nc(CN(CCC#N)CCC(C)C)[nH]c(=O)c2c1C CC(C)C[*:1] Cc1sc2nc(CN(CCC#N)C[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CN(CCC#N)CCC(C)C)[nH]c(=O)c2c1C N#CCC[*:1] Cc1sc2nc(CN(CCC(C)C)[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CN(CCC#N)CCC(C)C)[nH]c(=O)c2c1C CC(C)CC[*:1] Cc1sc2nc(CN(CCC#N)[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CN(CCC#N)CCC(C)C)[nH]c(=O)c2c1C N#CC[*:1] Cc1sc2nc(CN(CCC(C)C)C[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CN(CCC#N)CCC(C)C)[nH]c(=O)c2c1C CC(C)[*:1] Cc1sc2nc(CN(CCC#N)CC[*:1])[nH]c(=O)c2c1C
CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CCCCCC3)C2=O)cc1 CC(C)(C)[*:1] C[C@]1(NC(=O)N(CC(=O)NC2CCCCCC2)C1=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CCCCCC3)C2=O)cc1 C1CCCC(CC1)[*:1] CC(C)(C)c1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
COC(=O)c1occc1CN(CC(F)(F)F)C1CCCC1 COC(=O)[*:1] FC(F)(F)CN(Cc1ccoc1[*:1])C1CCCC1
COC(=O)c1occc1CN(CC(F)(F)F)C1CCCC1 FC(F)(F)C[*:1] COC(=O)c1occc1CN(C1CCCC1)[*:1]
COC(=O)c1occc1CN(CC(F)(F)F)C1CCCC1 FC(F)(F)[*:1] COC(=O)c1occc1CN(C[*:1])C1CCCC1
COC(=O)c1occc1CN(CC(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] COC(=O)c1occc1CN(CC(F)(F)F)[*:1]
C[NH+](C)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 FC(F)O[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)[NH2+]Cc1cc(Cl)ccc1[*:1]
C[NH+](C)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 FC(F)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)[NH2+]Cc1cc(Cl)ccc1O[*:1]
CCC[NH+]1CCN(C(=O)Cn2cnc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)CC1 CC1CCN(CC1)S(=O)(=O)[*:1] CCC[NH+]1CCN(CC1)C(=O)Cn1cnc2ccc(cc2c1=O)[*:1]
O=C(NCCCn1cccn1)N1CCN(Cc2cccc(Cl)c2Cl)CC1 c1cnn(c1)[*:1] O=C(NCCC[*:1])N1CCN(CC1)Cc1cccc(Cl)c1Cl
O=C(NCCCn1cccn1)N1CCN(Cc2cccc(Cl)c2Cl)CC1 c1cnn(c1)CC[*:1] O=C(NC[*:1])N1CCN(CC1)Cc1cccc(Cl)c1Cl
O=C(NCCCn1cccn1)N1CCN(Cc2cccc(Cl)c2Cl)CC1 c1cnn(c1)CCC[*:1] O=C(N[*:1])N1CCN(CC1)Cc1cccc(Cl)c1Cl
O=C(NCCCn1cccn1)N1CCN(Cc2cccc(Cl)c2Cl)CC1 c1cnn(c1)C[*:1] O=C(NCC[*:1])N1CCN(CC1)Cc1cccc(Cl)c1Cl
O=C(NCCCn1cccn1)N1CCN(Cc2cccc(Cl)c2Cl)CC1 Clc1cccc(c1Cl)[*:1] O=C(NCCCn1cccn1)N1CCN(CC1)C[*:1]
O=C(Nc1nccs1)c1cc([C@@H]2CCN(C(=O)CC3CCCCC3)C2)nc2ccccc12 C1CCC(CC1)C[*:1] O=C(Nc1nccs1)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)[*:1]
O=C(Nc1nccs1)c1cc([C@@H]2CCN(C(=O)CC3CCCCC3)C2)nc2ccccc12 O=C(Nc1nccs1)[*:1] O=C(CC1CCCCC1)N1CC[C@H](C1)c1cc(c2ccccc2n1)[*:1]
O=C(Nc1nccs1)c1cc([C@@H]2CCN(C(=O)CC3CCCCC3)C2)nc2ccccc12 c1csc(n1)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)CC1CCCCC1
O=C(Nc1nccs1)c1cc([C@@H]2CCN(C(=O)CC3CCCCC3)C2)nc2ccccc12 C1CCC(CC1)[*:1] O=C(Nc1nccs1)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)C[*:1]
O=c1ccc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(F)cc1F c1cc(ccn1)[*:1] O=c1ccc(nn1CCNS(=O)(=O)c1ccc(F)cc1F)[*:1]
O=c1ccc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=c1ccc(nn1CCNS(=O)(=O)[*:1])-c1ccncc1
O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(Cl)ccc1O Oc1ccc(Cl)cc1[*:1] O=C1CCCN1c1ccc(cc1)CNC(=O)[*:1]
O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(Cl)ccc1O O=C1CCCN1[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc(Cl)ccc1O
CC(C)(C)n1ncc2c(=O)[nH]c(NCC3([NH+]4CCSCC4)CCCC3)nc21 CC(C)(C)[*:1] O=c1[nH]c(nc2c1cnn2[*:1])NCC1(CCCC1)[NH+]1CCSCC1
C[C@H](c1cccc(Cl)c1)N(C)C(=O)COc1ccc(C(N)=O)cc1 Clc1cccc(c1)[*:1] C[C@H](N(C)C(=O)COc1ccc(cc1)C(N)=O)[*:1]
C[C@H](c1cccc(Cl)c1)N(C)C(=O)COc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@H](c1cccc(Cl)c1)N(C)C(=O)COc1ccc(cc1)[*:1]
NC(=O)[C@H]1CN(C(=O)CSc2ccccc2C(=O)[O-])c2ccccc2O1 O=C([O-])[*:1] NC(=O)[C@H]1CN(C(=O)CSc2ccccc2[*:1])c2ccccc2O1
NC(=O)[C@H]1CN(C(=O)CSc2ccccc2C(=O)[O-])c2ccccc2O1 NC(=O)[*:1] O=C([O-])c1ccccc1SCC(=O)N1C[C@@H](Oc2ccccc21)[*:1]
CC(=O)c1cc2c(cc1NC(=O)c1cc3nc(C)ccc3o1)OCO2 CC(=O)[*:1] Cc1ccc2oc(cc2n1)C(=O)Nc1cc2OCOc2cc1[*:1]
O=C(NCc1ccnc(OC2CCCCC2)c1)[C@@H]1COc2ccccc21 C1CCC(CC1)[*:1] O=C(NCc1ccnc(c1)O[*:1])[C@@H]1COc2ccccc21
O=C(NCc1ccnc(OC2CCCCC2)c1)[C@@H]1COc2ccccc21 C1CCC(CC1)O[*:1] O=C(NCc1ccnc(c1)[*:1])[C@@H]1COc2ccccc21
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1 COc1ccc(cc1)[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)N1CCC[C@H]1[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)N(CCC(F)(F)F)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)N(C[*:1])C1CCC1
C[C@H](NC(=O)C(C)(C)C)C(=O)N(CCC(F)(F)F)C1CCC1 CC(C)(C)C(=O)N[*:1] C[C@H](C(=O)N(CCC(F)(F)F)C1CCC1)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)N(CC[*:1])C1CCC1
C[C@H](NC(=O)C(C)(C)C)C(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)N(C1CCC1)[*:1]
C[C@H](NC(=O)C(C)(C)C)C(=O)N(CCC(F)(F)F)C1CCC1 CC(C)(C)[*:1] C[C@H](NC(=O)[*:1])C(=O)N(CCC(F)(F)F)C1CCC1
COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)N2CCc3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C([C@@H]1CCCc2sc(nc21)NC(=O)[*:1])N1CCc2ccccc21
COC(=O)[C@]1(C)CCN(c2nn3c(C(F)(F)F)nnc3c(C)c2C)C1 COC(=O)[*:1] Cc1c(nn2c(nnc2c1C)C(F)(F)F)N1CC[C@@](C)(C1)[*:1]
COC(=O)[C@]1(C)CCN(c2nn3c(C(F)(F)F)nnc3c(C)c2C)C1 FC(F)(F)[*:1] COC(=O)[C@]1(C)CCN(C1)c1nn2c(nnc2c(C)c1C)[*:1]
CCCn1/c(=N/C(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)[nH]c2ccccc21 CCC[*:1] Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)/N=c1\[nH]c2ccccc2n1[*:1]
CCCn1/c(=N/C(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)[nH]c2ccccc21 Brc1ccc(cc1)[*:1] CCCn1/c(=N/C(=O)c2c(C)nn(c2C)[*:1])[nH]c2ccccc21
O=C([O-])c1cc(Cl)nc(I)c1C(F)(F)F FC(F)(F)[*:1] O=C([O-])c1cc(Cl)nc(I)c1[*:1]
O=C([O-])c1cc(Cl)nc(I)c1C(F)(F)F O=C([O-])[*:1] FC(F)(F)c1c(cc(Cl)nc1I)[*:1]
Cn1c(N/N=C/c2ccccc2)nc2sc3c(c2c1=O)CCC3 c1ccc(cc1)[*:1] Cn1c(nc2sc3CCCc3c2c1=O)NN=C[*:1]
Cc1cc(Br)cc(C)c1OCC(=O)OCC1CC1 C1CC1C[*:1] Cc1cc(Br)cc(C)c1OCC(=O)O[*:1]
Cc1cc(Br)cc(C)c1OCC(=O)OCC1CC1 C1CC1[*:1] Cc1cc(Br)cc(C)c1OCC(=O)OC[*:1]
Cn1c(SCC(=O)Nc2nccs2)nc2ccsc2c1=O c1csc(n1)[*:1] Cn1c(nc2ccsc2c1=O)SCC(=O)N[*:1]
O=C(Nc1ccccc1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 c1ccc(cc1)[*:1] O=C(N[*:1])c1sccc1S(=O)(=O)N1CCc2ccccc2C1
O=C(Nc1ccccc1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 O=C(Nc1ccccc1)[*:1] O=S(=O)(c1ccsc1[*:1])N1CCc2ccccc2C1
COC(=O)c1cccc(C(=O)OCC(F)(F)F)c1 FC(F)(F)C[*:1] COC(=O)c1cccc(c1)C(=O)O[*:1]
COC(=O)c1cccc(C(=O)OCC(F)(F)F)c1 COC(=O)[*:1] O=C(OCC(F)(F)F)c1cccc(c1)[*:1]
COC(=O)c1cccc(C(=O)OCC(F)(F)F)c1 FC(F)(F)[*:1] COC(=O)c1cccc(c1)C(=O)OC[*:1]
Cc1ccc(C(=O)NCCc2cccc3ccccc23)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)NCCc1cccc2ccccc12
CCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(=O)OC)c(=O)n(C)c4nc23)cc1 COC(=O)[*:1] CCc1ccc(cc1)-n1c(C)c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(=O)OC)c(=O)n(C)c4nc23)cc1 CCc1ccc(cc1)[*:1] COC(=O)Cn1c(=O)c2c(nc3n(c(C)c(C)n23)[*:1])n(C)c1=O
CCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(=O)OC)c(=O)n(C)c4nc23)cc1 COC(=O)C[*:1] CCc1ccc(cc1)-n1c(C)c(C)n2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
Cc1cn(-c2ccccc2)c(C)c1/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1cn(-c2ccccc2)c(C)c1/C=N\Nc1nc(nc(n1)[*:1])N1CCOCC1
Cc1cn(-c2ccccc2)c(C)c1/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 c1ccc(cc1)[*:1] Cc1cn(c(C)c1/C=N\Nc1nc(nc(n1)N1CCOCC1)N1CCOCC1)[*:1]
O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21)NCCc1c[nH]c[nH+]1 O=C(N1CCCCC1)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)[*:1])NCCc1c[nH]c[nH+]1
Cc1nc(SCC(=O)N(C)c2ccccc2)c2c(C)c(C)sc2n1 c1ccc(cc1)[*:1] Cc1nc(SCC(=O)N(C)[*:1])c2c(C)c(C)sc2n1
Cc1ccc(N2C[C@H](C(=O)NCCc3ccsc3)CC2=O)cc1C c1cc(cs1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)NCC[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCc3ccsc3)CC2=O)cc1C c1cc(cs1)C[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCc3ccsc3)CC2=O)cc1C c1cc(cs1)CC[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCc3ccsc3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(NCCc1ccsc1)[C@@H]1CC(=O)N(C1)[*:1]
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
C[C@@H](Cc1nnc2n1-c1ccccc1C(c1ccccc1Cl)=NC2)N1C(=O)c2ccccc2C1=O O=C1c2ccccc2C(=O)N1[*:1] C[C@@H](Cc1nnc2CN=C(c3ccccc3Cl)c3ccccc3-n21)[*:1]
C[C@@H](Cc1nnc2n1-c1ccccc1C(c1ccccc1Cl)=NC2)N1C(=O)c2ccccc2C1=O Clc1ccccc1[*:1] C[C@@H](Cc1nnc2CN=C(c3ccccc3-n21)[*:1])N1C(=O)c2ccccc2C1=O
C[C@@H](SCc1ccnn1C)C(=O)Nc1cccc(Br)c1 Cn1nccc1[*:1] C[C@@H](SC[*:1])C(=O)Nc1cccc(Br)c1
Cc1ccc([C@@H]2C[C@@H]2[NH2+]Cc2c(C)nn(CCO)c2C)cc1C OCC[*:1] Cc1ccc(cc1C)[C@@H]1C[C@@H]1[NH2+]Cc1c(C)nn(c1C)[*:1]
Cc1cc(CNC(=O)[C@H](C)n2cnc3ccccc32)on1 Cc1cc(C[*:1])on1 C[C@@H](C(=O)N[*:1])n1cnc2ccccc21
Cc1cc(CNC(=O)[C@H](C)n2cnc3ccccc32)on1 Cc1cc(on1)[*:1] C[C@@H](C(=O)NC[*:1])n1cnc2ccccc21
CC(C)CN(C(=O)c1ccc(F)cc1)c1nnc(-c2ccncc2)s1 CC(C)[*:1] O=C(c1ccc(F)cc1)N(C[*:1])c1nnc(s1)-c1ccncc1
CC(C)CN(C(=O)c1ccc(F)cc1)c1nnc(-c2ccncc2)s1 Fc1ccc(cc1)[*:1] CC(C)CN(C(=O)[*:1])c1nnc(s1)-c1ccncc1
CC(C)CN(C(=O)c1ccc(F)cc1)c1nnc(-c2ccncc2)s1 c1cc(ccn1)[*:1] CC(C)CN(C(=O)c1ccc(F)cc1)c1nnc(s1)[*:1]
CC(C)CN(C(=O)c1ccc(F)cc1)c1nnc(-c2ccncc2)s1 CC(C)C[*:1] O=C(c1ccc(F)cc1)N(c1nnc(s1)-c1ccncc1)[*:1]
CNC(=O)[C@@H]1CCCCN1C(=O)CN1CCC([NH3+])CC1 CNC(=O)[*:1] [NH3+]C1CCN(CC1)CC(=O)N1CCCC[C@H]1[*:1]
Cc1n[nH]c(C)c1NC(=O)CC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1n[nH]c(C)c1NC(=O)CC[*:1]
CCS(=O)(=O)N1CCN(c2nccc(N3CCC[C@@H](O)C3)n2)CC1 O[C@@H]1CCCN(C1)[*:1] CCS(=O)(=O)N1CCN(CC1)c1nccc(n1)[*:1]
CS(=O)(=O)c1cccc(NCCc2cccc(F)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CS(=O)(=O)c1cccc(NCCc2cccc(F)c2)c1[*:1]
CS(=O)(=O)c1cccc(NCCc2cccc(F)c2)c1[N+](=O)[O-] Fc1cccc(c1)[*:1] CS(=O)(=O)c1cccc(NCC[*:1])c1[N+](=O)[O-]
CS(=O)(=O)c1cccc(NCCc2cccc(F)c2)c1[N+](=O)[O-] CS(=O)(=O)[*:1] O=[N+]([O-])c1c(cccc1[*:1])NCCc1cccc(F)c1
CCOc1ccc(-n2nnnc2CNC(=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] CCOc1ccc(cc1)-n1nnnc1CNC(=O)[*:1]
CCOc1ccc(-n2nnnc2CNC(=O)Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1nnnc1CNC(=O)C[*:1]
CCOc1ccc(-n2nnnc2CNC(=O)Cc2ccc(Cl)cc2)cc1 CCO[*:1] O=C(Cc1ccc(Cl)cc1)NCc1nnnn1-c1ccc(cc1)[*:1]
O=C(c1cnc2ccccn12)C(F)(F)[C@H](O)c1cccnc1 c1cncc(c1)[*:1] O=C(c1cnc2ccccn12)C(F)(F)[C@H](O)[*:1]
O=C(Nc1ccccc1OC1CCCC1)c1cc[n+]([O-])cc1 C1CCC(C1)[*:1] O=C(Nc1ccccc1O[*:1])c1cc[n+]([O-])cc1
O=C(Nc1ccccc1OC1CCCC1)c1cc[n+]([O-])cc1 [O-][n+]1ccc(cc1)[*:1] O=C(Nc1ccccc1OC1CCCC1)[*:1]
O=C(Nc1ccccc1OC1CCCC1)c1cc[n+]([O-])cc1 C1CCC(C1)O[*:1] O=C(Nc1ccccc1[*:1])c1cc[n+]([O-])cc1
CC[NH2+][C@@H](Cc1nccs1)c1ccc(Cl)cc1 c1csc(n1)[*:1] CC[NH2+][C@@H](C[*:1])c1ccc(Cl)cc1
Cc1nc(C2CC2)ncc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(ncc1C(=O)N1CCCC[C@@H]1[*:1])C1CC1
Cc1nc(C2CC2)ncc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 C1CC1[*:1] Cc1nc(ncc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1)[*:1]
O=C(CSc1ccccc1F)NCC(=O)Nc1ccc(F)c(F)c1 Fc1ccccc1[*:1] O=C(CS[*:1])NCC(=O)Nc1ccc(F)c(F)c1
O=C(CSc1ccccc1F)NCC(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CSc1ccccc1F)NCC(=O)N[*:1]
O=C(CSc1ccccc1F)NCC(=O)Nc1ccc(F)c(F)c1 Fc1ccccc1S[*:1] O=C(C[*:1])NCC(=O)Nc1ccc(F)c(F)c1
Cc1cc(=O)n(Cc2cc(C(=O)[O-])oc2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(=O)n(cc1[*:1])Cc1cc(oc1C)C(=O)[O-]
Cc1cc(=O)n(Cc2cc(C(=O)[O-])oc2C)cc1[N+](=O)[O-] O=C([O-])[*:1] Cc1cc(=O)n(cc1[N+](=O)[O-])Cc1cc(oc1C)[*:1]
CCCCN(C(=O)Cn1nc2ccccn2c1=O)[C@@H](C)c1ccccc1 CCCC[*:1] C[C@@H](c1ccccc1)N(C(=O)Cn1nc2ccccn2c1=O)[*:1]
CCCCN(C(=O)Cn1nc2ccccn2c1=O)[C@@H](C)c1ccccc1 CCC[*:1] C[C@@H](c1ccccc1)N(C[*:1])C(=O)Cn1nc2ccccn2c1=O
CCCCN(C(=O)Cn1nc2ccccn2c1=O)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCCCN(C(=O)Cn1nc2ccccn2c1=O)[C@@H](C)[*:1]
CCCCN(C(=O)Cn1nc2ccccn2c1=O)[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CCCCN(C(=O)Cn1nc2ccccn2c1=O)[*:1]
C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(C)CC#N CN(CC#N)[*:1] C[C@@H](C(=O)NCc1ccc(Cl)cc1)[*:1]
C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(C)CC#N N#CC[*:1] C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(C)[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1(O)CCCCC1 OC1(CCCCC1)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1(O)CCCCC1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCC1(O)CCCCC1
CCN(C(=O)c1ccccc1C)[C@H](C)c1cccc(OC)c1 Cc1ccccc1[*:1] CCN(C(=O)[*:1])[C@H](C)c1cccc(c1)OC
C[C@@](O)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)CCn1cc(cn1)[N+](=O)[O-])[*:1]
C[C@@](O)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 O=[N+]([O-])c1cnn(c1)[*:1] C[C@@](O)(CNC(=O)CC[*:1])c1ccc(F)cc1
C[C@@](O)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 O=[N+]([O-])[*:1] C[C@@](O)(CNC(=O)CCn1cc(cn1)[*:1])c1ccc(F)cc1
O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)c1ncccn1)N[*:1]
O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(Br)cc1 c1cnc(nc1)[*:1] O=C(CN1CCN(CC1)[*:1])Nc1ccc(Br)cc1
C[C@@H](NC(=O)N[C@H]1CCC[C@@H]1C(N)=O)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@@H](NC(=O)N[C@H]1CCC[C@@H]1C(N)=O)c1cccc(c1)[*:1]
C[C@@H](NC(=O)N[C@H]1CCC[C@@H]1C(N)=O)c1cccc(OC(F)F)c1 NC(=O)[*:1] C[C@@H](NC(=O)N[C@H]1CCC[C@H]1[*:1])c1cccc(c1)OC(F)F
C[C@@H](NC(=O)N[C@H]1CCC[C@@H]1C(N)=O)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@@H](NC(=O)N[C@H]1CCC[C@@H]1C(N)=O)c1cccc(c1)O[*:1]
O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)[*:1] O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCN(CC1)C[*:1]
O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCN(Cc2ccsc2)CC1 c1cc(cs1)C[*:1] O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCN(CC1)[*:1]
O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCN(Cc2ccsc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1c[nH]nc1[*:1])N1CCN(CC1)Cc1ccsc1
CCNC(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)[C@H]1Cc2ccccc2O1)[*:1]
CCOC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)NC1 CCOC(=O)[*:1] C[C@@H]1CCCN(CC2NC(=O)NCC=2[*:1])C1
CCOc1ccc(NC(=O)c2cc3ccccc3s2)cc1S(=O)(=O)N(C)C CCO[*:1] CN(C)S(=O)(=O)c1cc(ccc1[*:1])NC(=O)c1cc2ccccc2s1
CCOc1ccc(NC(=O)c2cc3ccccc3s2)cc1S(=O)(=O)N(C)C c1ccc2sc(cc2c1)[*:1] CCOc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)[*:1]
CCOc1ccc(NC(=O)c2cc3ccccc3s2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] CCOc1ccc(cc1[*:1])NC(=O)c1cc2ccccc2s1
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(F)cc1F CC(C)C[*:1] O=C(c1ccc(F)cc1F)N1CCC[C@H]1c1nncn1[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(F)cc1F CC(C)[*:1] O=C(c1ccc(F)cc1F)N1CCC[C@H]1c1nncn1C[*:1]
CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O c1cc(cs1)C[*:1] CN(C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc2OCCOc2c1)[*:1]
CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O c1cc(cs1)[*:1] CN(C[*:1])C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc2OCCOc2c1
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)CN(C)c1ccccc1 c1ccc(cc1)[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)CN(C)[*:1]
Cc1cc([C@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)no1 Cc1cc(no1)[*:1] O=[N+]([O-])c1ccc(cc1)CCN1CCC[C@@H]1[*:1]
Cc1cc([C@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)no1 O=[N+]([O-])[*:1] Cc1cc(no1)[C@H]1CCCN1CCc1ccc(cc1)[*:1]
O=C(c1cc2c(F)cccc2s1)N1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cc2c(F)cccc2s1)N1CCO[C@@H](C1)[*:1]
CCOc1ccc(/C=C2\Oc3cc(OC(=O)CC)ccc3C2=O)cc1 CCO[*:1] CCC(=O)Oc1ccc2C(=O)/C(=C/c3ccc(cc3)[*:1])Oc2c1
CCOc1ccc(/C=C2\Oc3cc(OC(=O)CC)ccc3C2=O)cc1 CCC(=O)O[*:1] CCOc1ccc(/C=C2\Oc3cc(ccc3C2=O)[*:1])cc1
C[C@H](NC(=O)N1CCN(c2ccccc2O)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)N1CCN(CC1)c1ccccc1O)[*:1]
C[C@H](NC(=O)N1CCN(c2ccccc2O)CC1)c1ccc(Cl)s1 Oc1ccccc1[*:1] C[C@H](NC(=O)N1CCN(CC1)[*:1])c1ccc(Cl)s1
C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1/C([O-])=N/S(C)(=O)=O CS(=O)(=O)/N=C(\[O-])[*:1] C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1[*:1]
C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1/C([O-])=N/S(C)(=O)=O C[C@@H]1C[C@@H]1[*:1] CS(=O)(=O)/N=C(\[O-])c1cc(F)ccc1NC(=O)[*:1]
C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1/C([O-])=N/S(C)(=O)=O C[C@@H]1C[C@H]1C(=O)N[*:1] CS(=O)(=O)/N=C(\[O-])c1cc(F)ccc1[*:1]
CCCC(=O)NCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 CCC[*:1] O=C(CNC(=O)[*:1])N[C@H]1CCN(C1)c1c(F)cccc1F
CCCC(=O)NCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 CCCC(=O)NC[*:1] O=C(N[C@H]1CCN(C1)c1c(F)cccc1F)[*:1]
CCCC(=O)NCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 CCCC(=O)N[*:1] O=C(C[*:1])N[C@H]1CCN(C1)c1c(F)cccc1F
CC(C)c1ocnc1CN1C(=O)N[C@](C)(C2CC2)C1=O C1CC1[*:1] CC(C)c1ocnc1CN1C(=O)N[C@](C)(C1=O)[*:1]
CC(C)c1ocnc1CN1C(=O)N[C@](C)(C2CC2)C1=O CC(C)[*:1] C[C@@]1(NC(=O)N(Cc2ncoc2[*:1])C1=O)C1CC1
CCO[C@H]1C[C@@H](Nc2cc(C)nc(COC)n2)C12CCC2 COC[*:1] CCO[C@H]1C[C@@H](Nc2cc(C)nc(n2)[*:1])C12CCC2
CCO[C@H]1C[C@@H](Nc2cc(C)nc(COC)n2)C12CCC2 CCO[*:1] COCc1nc(C)cc(n1)N[C@@H]1C[C@@H](C12CCC2)[*:1]
CCCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F CCC[*:1] C[C@@H]1C[C@@H](c2ccccc2F)N(C1)C(=O)[*:1]
CCS[C@@H](C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)C(C)C CCS[*:1] CC(C)[C@H](C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CCS[C@@H](C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)C(C)C c1cnc(nc1)[*:1] CCS[C@@H](C(=O)NC[C@@H]1CCCN(C1)[*:1])C(C)C
CCS[C@@H](C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)C(C)C CC(C)[*:1] CCS[C@@H](C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1cc(C)cc(N2CC[C@H](C(=O)Nc3cn(C)c(=O)cc3C)C2=O)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc(=O)n(C)cc1NC(=O)[C@H]1CCN(C1=O)[*:1]
C[C@@H](CC(F)(F)F)[NH2+]CCc1cccc(C(N)=O)c1 NC(=O)[*:1] C[C@@H](CC(F)(F)F)[NH2+]CCc1cccc(c1)[*:1]
C[C@@H](CC(F)(F)F)[NH2+]CCc1cccc(C(N)=O)c1 FC(F)(F)C[*:1] C[C@@H]([NH2+]CCc1cccc(c1)C(N)=O)[*:1]
C[C@@H](CC(F)(F)F)[NH2+]CCc1cccc(C(N)=O)c1 FC(F)(F)[*:1] C[C@@H](C[*:1])[NH2+]CCc1cccc(c1)C(N)=O
CC(C)[C@H]1C(=O)NCCN1C(=O)NCc1ccnc(OC2CCC2)c1 CC(C)[*:1] O=C1NCCN(C(=O)NCc2ccnc(c2)OC2CCC2)[C@H]1[*:1]
CC(C)[C@H]1C(=O)NCCN1C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)NCc1ccnc(c1)[*:1]
CC(C)[C@H]1C(=O)NCCN1C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] CC(C)[C@H]1C(=O)NCCN1C(=O)NCc1ccnc(c1)O[*:1]
CCOC(=O)c1ccc(CNC(=O)c2cc(-c3csc(C)n3)c[nH]2)o1 CCOC(=O)[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)NCc1ccc(o1)[*:1]
CCOC(=O)c1ccc(CNC(=O)c2cc(-c3csc(C)n3)c[nH]2)o1 Cc1nc(cs1)[*:1] CCOC(=O)c1ccc(CNC(=O)c2cc(c[nH]2)[*:1])o1
CCOc1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)cc1 O=C1CCCN1[*:1] CCOc1ccc(cc1)C(=O)NCc1cccc(c1)C[*:1]
CCOc1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)cc1 CCO[*:1] O=C(NCc1cccc(c1)CN1CCCC1=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)cc1 O=C1CCCN1C[*:1] CCOc1ccc(cc1)C(=O)NCc1cccc(c1)[*:1]
CC(C)c1[nH+]ccn1Cc1ccc(C(=O)[O-])cn1 CC(C)[*:1] O=C([O-])c1ccc(Cn2cc[nH+]c2[*:1])nc1
CC(C)c1[nH+]ccn1Cc1ccc(C(=O)[O-])cn1 O=C([O-])[*:1] CC(C)c1[nH+]ccn1Cc1ccc(cn1)[*:1]
COc1ccc(NC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)cc1OC c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1OC)NC(=O)C1CN(C1)C(=O)[*:1]
CC(C)(C)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 CS(=O)(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N(C[C@@H]1CCCO1)c1nc2ccc(cc2s1)[*:1]
CC(C)(C)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 CC(C)(C)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 CC(C)(C)c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)[*:1]
COC(=O)c1occc1CSc1ncc(-c2ccccc2)n1C1CC1 COC(=O)[*:1] c1ccc(cc1)-c1cnc(SCc2ccoc2[*:1])n1C1CC1
COC(=O)c1occc1CSc1ncc(-c2ccccc2)n1C1CC1 c1ccc(cc1)[*:1] COC(=O)c1occc1CSc1ncc(n1C1CC1)[*:1]
COC(=O)c1occc1CSc1ncc(-c2ccccc2)n1C1CC1 C1CC1[*:1] COC(=O)c1occc1CSc1ncc(-c2ccccc2)n1[*:1]
C/C=C/C=C/C(=O)Nc1cccc(Oc2ccccc2)c1 CC=C[*:1] O=C(C=C[*:1])Nc1cccc(c1)Oc1ccccc1
C/C=C/C=C/C(=O)Nc1cccc(Oc2ccccc2)c1 C/C=C/C=C[*:1] O=C(Nc1cccc(c1)Oc1ccccc1)[*:1]
C/C=C/C=C/C(=O)Nc1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] C/C=C/C=C/C(=O)Nc1cccc(c1)O[*:1]
C/C=C/C=C/C(=O)Nc1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] C/C=C/C=C/C(=O)Nc1cccc(c1)[*:1]
COCCn1cc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc2c1=O COCC[*:1] O=C(Nc1nc(cs1)-c1cccs1)c1cn(c(=O)c2ccccc12)[*:1]
COCCn1cc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc2c1=O COC[*:1] O=C(Nc1nc(cs1)-c1cccs1)c1cn(C[*:1])c(=O)c2ccccc12
COCCn1cc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc2c1=O c1csc(c1)[*:1] COCCn1cc(C(=O)Nc2nc(cs2)[*:1])c2ccccc2c1=O
COCCN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C)cc1 COC[*:1] CC(C)(C)c1ccc(cc1)C(=O)N(Cc1ccsc1)C[*:1]
COCCN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C)cc1 c1cc(cs1)C[*:1] COCCN(C(=O)c1ccc(cc1)C(C)(C)C)[*:1]
COCCN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C)cc1 c1cc(cs1)[*:1] COCCN(C[*:1])C(=O)c1ccc(cc1)C(C)(C)C
COCCN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C)cc1 COCC[*:1] CC(C)(C)c1ccc(cc1)C(=O)N(Cc1ccsc1)[*:1]
COCCN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] COCCN(Cc1ccsc1)C(=O)c1ccc(cc1)[*:1]
COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)c(Cl)c2)c1 COCC[*:1] Cc1ccc(cc1C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)N[*:1]
COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)c(Cl)c2)c1 COCCNS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)Nc1ccc(F)c(Cl)c1)[*:1]
COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)c(Cl)c2)c1 Fc1ccc(cc1Cl)[*:1] COCCNS(=O)(=O)c1ccc(C)c(c1)C(=O)N[*:1]
COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(F)c(Cl)c2)c1 COC[*:1] Cc1ccc(cc1C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)NC[*:1]
C[NH+]1CCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)c1ccc(cc1[*:1])C(=O)Nc1ccc(F)c(F)c1F
C[NH+]1CCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])CC1 Fc1ccc(c(F)c1F)[*:1] C[NH+]1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
COc1ccccc1[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccn1 COc1ccccc1[*:1] O=C(N[C@@H](c1ccccn1)[*:1])c1ccc2CCCc2c1
COc1ccccc1[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)c1ccc2CCCc2c1)[*:1]
COc1ccccc1[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccn1 c1cc2CCCc2cc1[*:1] COc1ccccc1[C@@H](NC(=O)[*:1])c1ccccn1
Cc1ccccc1-n1ccnc1SCC(=O)c1cc(F)ccc1F Cc1ccccc1[*:1] O=C(CSc1nccn1[*:1])c1cc(F)ccc1F
Cc1ccccc1-n1ccnc1SCC(=O)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] Cc1ccccc1-n1ccnc1SCC(=O)[*:1]
COCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl COCC[*:1] C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[*:1]
COCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl COC[*:1] C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)C[*:1]
COCC[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl COCC[C@@H](C)[*:1] C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[*:1]
O=C(CCn1ccccc1=O)N1CCC[C@@](CO)(CC2CC2)C1 C1CC1[*:1] O=C(CCn1ccccc1=O)N1CCC[C@](CO)(C1)C[*:1]
O=C(CCn1ccccc1=O)N1CCC[C@@](CO)(CC2CC2)C1 O=c1ccccn1[*:1] O=C(CC[*:1])N1CCC[C@@](CO)(CC2CC2)C1
O=C(CCn1ccccc1=O)N1CCC[C@@](CO)(CC2CC2)C1 C1CC1C[*:1] O=C(CCn1ccccc1=O)N1CCC[C@@](CO)(C1)[*:1]
CN(C)C(=O)CCN1CCSC[C@@H]1c1ccc(Cl)cc1 CN(C)C(=O)[*:1] Clc1ccc(cc1)[C@H]1CSCCN1CC[*:1]
CN(C)C(=O)CCN1CCSC[C@@H]1c1ccc(Cl)cc1 CN(C)C(=O)C[*:1] Clc1ccc(cc1)[C@H]1CSCCN1C[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2cc(C(C)=O)cn2C)CC1 CC(=O)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)c1cc(cn1C)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2cc(C(C)=O)cn2C)CC1 CCOC(=O)[*:1] CC(=O)c1cc(C(=O)N2CCC(C)(CC2)[*:1])n(C)c1
Cc1c(CCC(=O)Nc2cccc(Cl)c2)c(=O)oc2cc(O)ccc12 Clc1cccc(c1)[*:1] Cc1c(CCC(=O)N[*:1])c(=O)oc2cc(O)ccc12
Cc1ncsc1CCS(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 Cc1ncsc1[*:1] C[C@H](c1ccc(cc1)C(F)(F)F)S(=O)(=O)CC[*:1]
Cc1ncsc1CCS(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ncsc1CCS(=O)(=O)[C@H](C)c1ccc(cc1)[*:1]
Cc1ncsc1CCS(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 Cc1ncsc1C[*:1] C[C@H](c1ccc(cc1)C(F)(F)F)S(=O)(=O)C[*:1]
CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)Nc2cccc(Cl)c2)n(C)c(=O)n3C)CC1 CCOC(=O)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)Nc1cccc(Cl)c1)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)Nc2cccc(Cl)c2)n(C)c(=O)n3C)CC1 CCOC(=O)C1CCN(CC1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)Nc1cccc(Cl)c1)[*:1]
CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)Nc2cccc(Cl)c2)n(C)c(=O)n3C)CC1 O=C(Nc1cccc(Cl)c1)N[*:1] CCOC(=O)C1CCN(CC1)c1cc2c(cc1[*:1])n(C)c(=O)n2C
CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)Nc2cccc(Cl)c2)n(C)c(=O)n3C)CC1 Clc1cccc(c1)[*:1] CCOC(=O)C1CCN(CC1)c1cc2c(cc1NC(=O)N[*:1])n(C)c(=O)n2C
Cc1ccc(CC(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cn1 Cc1cccc(n1)[*:1] Cc1ccc(cn1)CC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccc(CC(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cn1 Cc1ccc(cn1)C[*:1] Cc1cccc(n1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(CC(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cn1 Cc1ccc(cn1)[*:1] Cc1cccc(n1)NC(=O)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccc2c(c1)CCN2[C@@H](C)C(=O)Nc1cc(C)no1 Cc1cc(on1)[*:1] Cc1ccc2c(c1)CCN2[C@@H](C)C(=O)N[*:1]
C[C@H]1CN(CCCCS(C)(=O)=O)[C@H](C)CN1C(=O)OC(C)(C)C CS(=O)(=O)CCC[*:1] C[C@H]1CN(C[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
C[C@H]1CN(CCCCS(C)(=O)=O)[C@H](C)CN1C(=O)OC(C)(C)C CS(=O)(=O)C[*:1] C[C@H]1CN(CCC[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
C[C@H]1CN(CCCCS(C)(=O)=O)[C@H](C)CN1C(=O)OC(C)(C)C CS(=O)(=O)CC[*:1] C[C@H]1CN(CC[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
C[C@H]1CN(CCCCS(C)(=O)=O)[C@H](C)CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]1CN(CCCCS(C)(=O)=O)[C@H](C)CN1C(=O)O[*:1]
C[C@H]1CN(CCCCS(C)(=O)=O)[C@H](C)CN1C(=O)OC(C)(C)C CS(=O)(=O)[*:1] C[C@H]1CN(CCCC[*:1])[C@H](C)CN1C(=O)OC(C)(C)C
CN(CCCNC(=O)NNC(=O)c1ccccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CN(CCCNC(=O)NNC(=O)c1ccccc1Cl)[*:1]
CN(CCCNC(=O)NNC(=O)c1ccccc1Cl)c1ccccc1 Clc1ccccc1[*:1] CN(CCCNC(=O)NNC(=O)[*:1])c1ccccc1
CN(CCCNC(=O)NNC(=O)c1ccccc1Cl)c1ccccc1 CN(c1ccccc1)[*:1] O=C(NCCC[*:1])NNC(=O)c1ccccc1Cl
CCC[NH2+][C@@H](CC[C@@H]1CCOC2(CCSCC2)C1)C(C)C CCC[*:1] CC(C)[C@H](CC[C@@H]1CCOC2(CCSCC2)C1)[NH2+][*:1]
CCC[NH2+][C@@H](CC[C@@H]1CCOC2(CCSCC2)C1)C(C)C CC(C)[*:1] CCC[NH2+][C@@H](CC[C@@H]1CCOC2(CCSCC2)C1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)NCCC(=O)OC(C)C CC(C)OC(=O)C[*:1] Cc1ccc(cc1NC(=O)NC[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)NCCC(=O)OC(C)C c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)NCCC(=O)OC(C)C)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)NCCC(=O)OC(C)C CC(C)OC(=O)[*:1] Cc1ccc(cc1NC(=O)NCC[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)NCCC(=O)OC(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)NCCC(=O)O[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)NCCC(=O)OC(C)C CC(C)OC(=O)CC[*:1] Cc1ccc(cc1NC(=O)N[*:1])-c1ncco1
CC[C@@]1(C)NC(=O)N(CC(=O)NCC2(c3ccccc3)CC2)C1=O c1ccc(cc1)[*:1] CC[C@@]1(C)NC(=O)N(CC(=O)NCC2(CC2)[*:1])C1=O
CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 C1CCN(CC1)[*:1] CS(=O)(=O)Nc1cccc(c1)C(=O)Nc1ccccc1[*:1]
CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 CS(=O)(=O)N[*:1] O=C(Nc1ccccc1N1CCCCC1)c1cccc(c1)[*:1]
C[C@@H](N[C@@H]1CC[C@H]([NH+](C)C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 C1CC[C@H](CO[*:1])OC1 C[C@@H](N[C@@H]1CC[C@@H](C1)[NH+](C)C)c1ccc(c(F)c1)[*:1]
C[C@@H](N[C@@H]1CC[C@H]([NH+](C)C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 C1CC[C@H](C[*:1])OC1 C[C@@H](N[C@@H]1CC[C@@H](C1)[NH+](C)C)c1ccc(O[*:1])c(F)c1
C[C@@H](N[C@@H]1CC[C@H]([NH+](C)C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 C1CC[C@@H](OC1)[*:1] C[C@@H](N[C@@H]1CC[C@@H](C1)[NH+](C)C)c1ccc(OC[*:1])c(F)c1
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(c1)NC(=O)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 N#Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)NC(=O)c1ccco1
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 N#Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1cccc(c1)NC(=O)c1ccco1)[*:1]
COc1cccc2cc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)oc12 Fc1ccc(cc1F)[*:1] COc1cccc2cc(oc12)C(=O)Nc1nc(cs1)[*:1]
COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cn1 Fc1ccc(cc1)[*:1] COc1ccc(cn1)C(=O)Nc1nc(ns1)[*:1]
Cn1nnn(-c2ccc(NC(=O)NCc3cccs3)cc2)c1=O c1csc(c1)C[*:1] Cn1nnn(-c2ccc(cc2)NC(=O)N[*:1])c1=O
Cn1nnn(-c2ccc(NC(=O)NCc3cccs3)cc2)c1=O Cn1nnn(c1=O)[*:1] O=C(NCc1cccs1)Nc1ccc(cc1)[*:1]
Cn1nnn(-c2ccc(NC(=O)NCc3cccs3)cc2)c1=O c1csc(c1)[*:1] Cn1nnn(-c2ccc(cc2)NC(=O)NC[*:1])c1=O
CN(C)C(=O)c1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 O=[N+]([O-])[*:1] CN(C)C(=O)c1ccc(cc1)N1C(=O)c2cccc3cc(cc(C1=O)c23)[*:1]
CN(C)C(=O)c1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 CN(C)C(=O)[*:1] O=C1c2cccc3cc(cc(C(=O)N1c1ccc(cc1)[*:1])c23)[N+](=O)[O-]
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@H]2CC[C@@H]1C2 FC(F)C(F)(F)CO[*:1] O=C(Nc1cccc(c1)C[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@H]2CC[C@@H]1C2 FC(F)[*:1] O=C(Nc1cccc(c1)COCC(F)(F)[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@H]2CC[C@@H]1C2 FC(F)C(F)(F)C[*:1] O=C(Nc1cccc(c1)CO[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@H]2CC[C@@H]1C2 FC(F)C(F)(F)[*:1] O=C(Nc1cccc(c1)COC[*:1])[C@H]1C[C@H]2CC[C@@H]1C2
COc1ccc(C)cc1NC(=O)CCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C Cc1cc(=O)[nH]c(n1)[*:1] COc1ccc(C)cc1NC(=O)CCc1c(C)nn(c1C)[*:1]
COc1ccc(C)cc1NC(=O)CCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C COc1ccc(C)cc1[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(C)c(CCC(=O)N[*:1])c1C
Cc1cc2occ(CC(=O)N3CC[S@](=O)C(C)(C)C3)c2cc1C(C)C CC(C)[*:1] Cc1cc2occ(CC(=O)N3CC[S@](=O)C(C)(C)C3)c2cc1[*:1]
CN(N)c1cc(Cl)c([N+](=O)[O-])c(N2CCOCC2)c1[N+](=O)[O-] CN(N)[*:1] O=[N+]([O-])c1c(Cl)cc(c(c1N1CCOCC1)[N+](=O)[O-])[*:1]
CN(N)c1cc(Cl)c([N+](=O)[O-])c(N2CCOCC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(N)c1cc(Cl)c(c(c1[N+](=O)[O-])N1CCOCC1)[*:1]
CN(N)c1cc(Cl)c([N+](=O)[O-])c(N2CCOCC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(N)c1cc(Cl)c(c(c1[*:1])N1CCOCC1)[N+](=O)[O-]
CN(N)c1cc(Cl)c([N+](=O)[O-])c(N2CCOCC2)c1[N+](=O)[O-] C1CN(CCO1)[*:1] CN(N)c1cc(Cl)c(c(c1[N+](=O)[O-])[*:1])[N+](=O)[O-]
CC(C)[C@H](C)SCC(=O)Nc1c(F)cc(F)cc1Br CC(C)[C@H](C)S[*:1] O=C(C[*:1])Nc1c(F)cc(F)cc1Br
CC(C)[C@H](C)SCC(=O)Nc1c(F)cc(F)cc1Br CC(C)[*:1] C[C@H](SCC(=O)Nc1c(F)cc(F)cc1Br)[*:1]
CC(C)Oc1ccccc1NCC(=O)N[C@@](C)(C#N)C1CC1 C1CC1[*:1] CC(C)Oc1ccccc1NCC(=O)N[C@@](C)(C#N)[*:1]
CC(C)Oc1ccccc1NCC(=O)N[C@@](C)(C#N)C1CC1 CC(C)O[*:1] C[C@@](C#N)(NC(=O)CNc1ccccc1[*:1])C1CC1
CC(C)Oc1ccccc1NCC(=O)N[C@@](C)(C#N)C1CC1 CC(C)[*:1] C[C@@](C#N)(NC(=O)CNc1ccccc1O[*:1])C1CC1
C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)N[*:1]
C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)NC1CCCCCC1 O=S1(=O)CC[C@@H](C1)C[*:1] C[C@@H](Sc1nnc(n1C)[*:1])C(=O)NC1CCCCCC1
COCc1cc(N2CCNC(=O)[C@H]2C(C)C)n2ncnc2n1 CC(C)[*:1] COCc1cc(N2CCNC(=O)[C@@H]2[*:1])n2ncnc2n1
COCc1cc(N2CCNC(=O)[C@H]2C(C)C)n2ncnc2n1 COC[*:1] CC(C)[C@@H]1C(=O)NCCN1c1cc(nc2ncnn12)[*:1]
Cc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c(c(O)c1)-c1n[nH]c2C(=O)N(C[C@@H]3CCCO3)[C@H](c12)[*:1]
Cc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)[C@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1c(C)cc(C)cc1O
Cc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)[C@H]1c2c(n[nH]c2C(=O)N1C[*:1])-c1c(C)cc(C)cc1O
Cc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1 Cc1cc(C)c(c(O)c1)[*:1] Cc1ccc(cc1)[C@H]1c2c(n[nH]c2C(=O)N1C[C@@H]1CCCO1)[*:1]
CC(C)(C)c1csc(NC(=O)CSC2=[NH+]CCN2)n1 CC(C)(C)[*:1] O=C(CSC1NCC[NH+]=1)Nc1nc(cs1)[*:1]
C[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)N[*:1]
C[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)NCc1ccco1 C1CC1[*:1] C[C@@H](NC(=O)c1nc(n2ccccc12)[*:1])C(=O)NCc1ccco1
C[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)NC[*:1]
CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c(C(F)(F)F)c1 FC(F)(F)[*:1] CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c(c1)[*:1]
CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c(C(F)(F)F)c1 CCO[*:1] O=C(Nc1ccc(cc1C(F)(F)F)[*:1])N[C@@H]1CCCC[C@@H]1CO
CC(C)(C)CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 CC(C)(C)C[*:1] O=C(Nc1nc2ccc(cc2s1)[N+](=O)[O-])[*:1]
CC(C)(C)CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 CC(C)(C)[*:1] O=C(C[*:1])Nc1nc2ccc(cc2s1)[N+](=O)[O-]
CC(C)(C)CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 O=[N+]([O-])[*:1] CC(C)(C)CC(=O)Nc1nc2ccc(cc2s1)[*:1]
COC(=O)c1cc(NCc2cnc(C)cn2)cc(C)c1N Cc1cnc(cn1)[*:1] COC(=O)c1cc(cc(C)c1N)NC[*:1]
COC(=O)c1cc(NCc2cnc(C)cn2)cc(C)c1N COC(=O)[*:1] Cc1cnc(cn1)CNc1cc(C)c(N)c(c1)[*:1]
CCOC(=O)[C@@]1(N)CC[C@@H](Oc2cccc(C)c2C)C1 CCOC(=O)[*:1] Cc1cccc(O[C@@H]2CC[C@](N)(C2)[*:1])c1C
Cc1ccc(Nc2ccccc2C(=O)N(C)CCCS(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] CN(CCCS(C)(=O)=O)C(=O)c1ccccc1N[*:1]
Cc1ccc(Nc2ccccc2C(=O)N(C)CCCS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)Nc1ccccc1C(=O)N(C)CCC[*:1]
Cc1ccc(Nc2ccccc2C(=O)N(C)CCCS(C)(=O)=O)cc1 CS(=O)(=O)CC[*:1] Cc1ccc(cc1)Nc1ccccc1C(=O)N(C)C[*:1]
Cc1ccc(Nc2ccccc2C(=O)N(C)CCCS(C)(=O)=O)cc1 CS(=O)(=O)CCC[*:1] Cc1ccc(cc1)Nc1ccccc1C(=O)N(C)[*:1]
Cc1ccc(Nc2ccccc2C(=O)N(C)CCCS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] Cc1ccc(cc1)Nc1ccccc1C(=O)N(C)CC[*:1]
Cc1ccc(Nc2ccccc2C(=O)N(C)CCCS(C)(=O)=O)cc1 Cc1ccc(cc1)N[*:1] CN(CCCS(C)(=O)=O)C(=O)c1ccccc1[*:1]
C[C@H](NC(=O)Cc1ccc(F)c(F)c1)c1ccc(N)cc1 Nc1ccc(cc1)[*:1] C[C@H](NC(=O)Cc1ccc(F)c(F)c1)[*:1]
O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)NCc2ccccc2)C(=O)N1c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)NC[*:1])C(=O)N1c1cccc(Cl)c1
O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)NCc2ccccc2)C(=O)N1c1cccc(Cl)c1 Clc1ccc(cc1)[*:1] O=C1C[C@H](SC(=N[*:1])NCc2ccccc2)C(=O)N1c1cccc(Cl)c1
O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)NCc2ccccc2)C(=O)N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)NCc2ccccc2)C(=O)N1[*:1]
O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)NCc2ccccc2)C(=O)N1c1cccc(Cl)c1 c1ccc(cc1)C[*:1] O=C1C[C@H](S/C(=N/c2ccc(Cl)cc2)N[*:1])C(=O)N1c1cccc(Cl)c1
Cc1ccccc1[C@H](NCc1[nH]cc[nH+]1)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@H](NCc1[nH]cc[nH+]1)[*:1]
CC(C)(C)C(=O)C[C@](O)(c1ccccc1)C(F)(F)C(F)F FC(F)[*:1] CC(C)(C)C(=O)C[C@](O)(c1ccccc1)C(F)(F)[*:1]
CC(C)(C)C(=O)C[C@](O)(c1ccccc1)C(F)(F)C(F)F CC(C)(C)C(=O)[*:1] O[C@@](C[*:1])(c1ccccc1)C(F)(F)C(F)F
CC(C)(C)C(=O)C[C@](O)(c1ccccc1)C(F)(F)C(F)F CC(C)(C)[*:1] O=C(C[C@](O)(c1ccccc1)C(F)(F)C(F)F)[*:1]
CC(C)(C)C(=O)C[C@](O)(c1ccccc1)C(F)(F)C(F)F c1ccc(cc1)[*:1] CC(C)(C)C(=O)C[C@](O)(C(F)(F)C(F)F)[*:1]
CC(C)(C)C(=O)C[C@](O)(c1ccccc1)C(F)(F)C(F)F CC(C)(C)C(=O)C[*:1] O[C@](c1ccccc1)(C(F)(F)C(F)F)[*:1]
CC(C)(C)C(=O)C[C@](O)(c1ccccc1)C(F)(F)C(F)F FC(F)C(F)(F)[*:1] CC(C)(C)C(=O)C[C@](O)(c1ccccc1)[*:1]
COCC[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2OC)CC1 COC[*:1] COc1cc(Cl)ccc1C(=O)NCC1CC[NH+](CC1)C[*:1]
COCC[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2OC)CC1 COCC[*:1] COc1cc(Cl)ccc1C(=O)NCC1CC[NH+](CC1)[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)Nc2cc(-c3ncco3)ccc2C)C1 c1coc(n1)[*:1] COC(=O)[C@@]1(F)CCN(C1)C(=O)Nc1cc(ccc1C)[*:1]
COC(=O)[C@@]1(F)CCN(C(=O)Nc2cc(-c3ncco3)ccc2C)C1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)N1CC[C@](F)(C1)[*:1])-c1ncco1
CCn1nc(C)c(NC(=O)N(C)CCOc2ccccc2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)N(C)CCO[*:1])c1C
CCn1nc(C)c(NC(=O)N(C)CCOc2ccccc2)c1C c1ccc(cc1)O[*:1] CCn1nc(C)c(NC(=O)N(C)CC[*:1])c1C
C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)ccc2O1 C1CO[C@H](C1)C[*:1] C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)N[*:1])ccc2O1
C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)ccc2O1 C1CO[C@H](C1)[*:1] C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)NC[*:1])ccc2O1
CN(C(=O)CSc1nnnn1C)[C@H]1[C@H]2CCO[C@@H]2C1(C)C Cn1nnnc1[*:1] CN(C(=O)CS[*:1])[C@H]1[C@H]2CCO[C@@H]2C1(C)C
CN(C(=O)CSc1nnnn1C)[C@H]1[C@H]2CCO[C@@H]2C1(C)C Cn1nnnc1S[*:1] CN(C(=O)C[*:1])[C@H]1[C@H]2CCO[C@@H]2C1(C)C
C=C(C)C[C@@H]([NH2+]CC)C(C)(C)c1ccccc1 C=C(C)[*:1] CC[NH2+][C@H](C[*:1])C(C)(C)c1ccccc1
C=C(C)C[C@@H]([NH2+]CC)C(C)(C)c1ccccc1 C=C(C)C[*:1] CC[NH2+][C@@H](C(C)(C)c1ccccc1)[*:1]
CCc1cccc(C)c1NC(=O)N(CC)Cc1nc2ccccc2c(=O)[nH]1 CCc1cccc(C)c1[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[*:1]
CC(C)(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc(O)cc3)CC2)cc1 CC(C)(C)[*:1] O=C(NC(=S)N1CCN(CC1)c1ccc(O)cc1)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc(O)cc3)CC2)cc1 Oc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)[*:1]
COc1ccc(Cl)cc1N/C(=N/C(=O)c1ccc(C)c(C)c1)[N-]Cc1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] COc1ccc(Cl)cc1N/C(=N/C(=O)c1ccc(C)c(C)c1)[N-]C[*:1]
COc1ccc(Cl)cc1N/C(=N/C(=O)c1ccc(C)c(C)c1)[N-]Cc1c(C)nn(C)c1C COc1ccc(Cl)cc1[*:1] Cc1ccc(cc1C)C(=O)/N=C(\[N-]Cc1c(C)nn(C)c1C)N[*:1]
COc1ccc(Cl)cc1N/C(=N/C(=O)c1ccc(C)c(C)c1)[N-]Cc1c(C)nn(C)c1C Cc1ccc(cc1C)[*:1] COc1ccc(Cl)cc1N/C(=N/C(=O)[*:1])[N-]Cc1c(C)nn(C)c1C
Cc1cccc(CSc2nnc(NC(=O)/C=C/c3ccco3)s2)c1 c1coc(c1)[*:1] Cc1cccc(c1)CSc1nnc(NC(=O)C=C[*:1])s1
Cc1cccc(CSc2nnc(NC(=O)/C=C/c3ccco3)s2)c1 C(=C[*:1])c1ccco1 Cc1cccc(c1)CSc1nnc(NC(=O)[*:1])s1
Cc1cccc(CSc2nnc(NC(=O)/C=C/c3ccco3)s2)c1 Cc1cccc(c1)C[*:1] O=C(/C=C/c1ccco1)Nc1nnc(S[*:1])s1
Cc1cccc(CSc2nnc(NC(=O)/C=C/c3ccco3)s2)c1 Cc1cccc(c1)[*:1] O=C(/C=C/c1ccco1)Nc1nnc(SC[*:1])s1
C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCN(CC#N)CC1 N#CC[*:1] C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCN(CC1)[*:1]
C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCN(CC#N)CC1 Fc1cccc(F)c1[*:1] C[C@H](C[*:1])NC(=O)CN1CCN(CC#N)CC1
C[C@@H](Oc1ccccc1C#N)/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 FC(F)(F)[*:1] C[C@@H](Oc1ccccc1C#N)/C([O-])=N/c1nc(n[nH]1)[*:1]
C[C@H](C(=O)[O-])S(=O)(=O)NC1COC1 C1OCC1[*:1] C[C@H](C(=O)[O-])S(=O)(=O)N[*:1]
C[C@H](C(=O)[O-])S(=O)(=O)NC1COC1 O=C([O-])[*:1] C[C@H](S(=O)(=O)NC1COC1)[*:1]
C=CCOc1ccccc1C[NH+](C)CC(=O)N1CCC(O)CC1 C=CC[*:1] C[NH+](CC(=O)N1CCC(O)CC1)Cc1ccccc1O[*:1]
C=CCOc1ccccc1C[NH+](C)CC(=O)N1CCC(O)CC1 C=CCO[*:1] C[NH+](CC(=O)N1CCC(O)CC1)Cc1ccccc1[*:1]
COC(=O)Nc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 COC(=O)N[*:1] [NH3+][C@@H]1C=C[C@@H](C1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)NCC[C@@H]1CCCCN1C(=O)CSc1cn(C)c2ccccc12 CC(=O)NCC[*:1] Cn1cc(SCC(=O)N2CCCC[C@H]2[*:1])c2ccccc21
CC(=O)NCC[C@@H]1CCCCN1C(=O)CSc1cn(C)c2ccccc12 CC(=O)NC[*:1] Cn1cc(SCC(=O)N2CCCC[C@H]2C[*:1])c2ccccc21
CC(=O)NCC[C@@H]1CCCCN1C(=O)CSc1cn(C)c2ccccc12 CC(=O)N[*:1] Cn1cc(SCC(=O)N2CCCC[C@H]2CC[*:1])c2ccccc21
N#Cc1cccc(COc2cccc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2)c1 N#Cc1cccc(c1)C[*:1] [NH2+]=C1Nc2nc3ccccc3n2[C@H](N1)c1cccc(c1)O[*:1]
N#Cc1cccc(COc2cccc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2)c1 N#Cc1cccc(c1)CO[*:1] [NH2+]=C1Nc2nc3ccccc3n2[C@H](N1)c1cccc(c1)[*:1]
N#Cc1cccc(COc2cccc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c2)c1 N#Cc1cccc(c1)[*:1] [NH2+]=C1Nc2nc3ccccc3n2[C@H](N1)c1cccc(c1)OC[*:1]
C[C@@H](NC(=O)NCCn1cccc1)c1ccc(NC(=O)NC2CC2)cc1 c1ccn(c1)C[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@@H](NC(=O)NCCn1cccc1)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H](NC(=O)NCCn1cccc1)c1ccc(cc1)NC(=O)N[*:1]
C[C@@H](NC(=O)NCCn1cccc1)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] C[C@@H](NC(=O)NCCn1cccc1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)NCCn1cccc1)c1ccc(NC(=O)NC2CC2)cc1 c1ccn(c1)CC[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@@H](NC(=O)NCCn1cccc1)c1ccc(NC(=O)NC2CC2)cc1 c1ccn(c1)[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccc(cc1)NC(=O)NC1CC1
CCO[C@H](C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 CCO[*:1] CC(C)c1csc(n1)[C@@H](C#N)C(=O)[C@@H](C)[*:1]
CCO[C@H](C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 CCO[C@H](C)[*:1] CC(C)c1csc(n1)[C@@H](C#N)C(=O)[*:1]
CCO[C@H](C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 CC(C)[*:1] CCO[C@H](C)C(=O)[C@H](C#N)c1nc(cs1)[*:1]
CNC(=O)CN(C)C(=O)CSc1cccc(OC)c1 CNC(=O)[*:1] COc1cccc(c1)SCC(=O)N(C)C[*:1]
CNC(=O)CN(C)C(=O)CSc1cccc(OC)c1 CNC(=O)C[*:1] COc1cccc(c1)SCC(=O)N(C)[*:1]
Cc1cc(CSc2ccccc2C(=O)NNC(=O)c2cc3c(s2)CCCCC3)on1 Cc1cc(CS[*:1])on1 O=C(NNC(=O)c1ccccc1[*:1])c1cc2CCCCCc2s1
Cc1cc(CSc2ccccc2C(=O)NNC(=O)c2cc3c(s2)CCCCC3)on1 Cc1cc(on1)[*:1] O=C(NNC(=O)c1ccccc1SC[*:1])c1cc2CCCCCc2s1
Cc1cc(CSc2ccccc2C(=O)NNC(=O)c2cc3c(s2)CCCCC3)on1 Cc1cc(C[*:1])on1 O=C(NNC(=O)c1ccccc1S[*:1])c1cc2CCCCCc2s1
Cc1cc(CSc2ccccc2C(=O)NNC(=O)c2cc3c(s2)CCCCC3)on1 c1c(sc2CCCCCc12)[*:1] Cc1cc(CSc2ccccc2C(=O)NNC(=O)[*:1])on1
Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCCC4)c3)C2)cc1C Cc1ccc(cc1C)NC(=O)[*:1] O=C(c1cc(c[nH]1)S(=O)(=O)N1CCC[C@H](C1)[*:1])N1CCCCC1
Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCCC4)c3)C2)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1c[nH]c(c1)C(=O)N1CCCCC1
Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCCC4)c3)C2)cc1C O=C(N1CCCCC1)[*:1] Cc1ccc(cc1C)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1c[nH]c(c1)[*:1]
CC(=O)N[C@H](CC(=O)Oc1ccc2nccnc2c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@H](CC(=O)Oc1ccc2nccnc2c1)[*:1]
CC(=O)N[C@H](CC(=O)Oc1ccc2nccnc2c1)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@@H](CC(=O)Oc1ccc2nccnc2c1)[*:1]
Cc1cnc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)s1 Cc1cnc(s1)[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[*:1])C2=O
N#Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2N)c1 Oc1ccccc1[*:1] N#Cc1cccc(c1)NC(=O)CSc1nnc(n1N)[*:1]
N#Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2N)c1 N#Cc1cccc(c1)[*:1] Nn1c(nnc1-c1ccccc1O)SCC(=O)N[*:1]
C[NH+](C)CCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21 Clc1cccc(c1)[*:1] C[NH+](C)CCNC(=O)C[C@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
O=C(NC[C@]1(O)CCSC1)C1(c2ccc(F)cc2)CCCC1 Fc1ccc(cc1)[*:1] O=C(NC[C@]1(O)CCSC1)C1(CCCC1)[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[O-] O=S(=O)([O-])[*:1] Cc1[nH]c(=O)[nH]c(=O)c1[*:1]
O=C(CCc1c[nH]c2ccccc12)OCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CCc1c[nH]c2ccccc12)OCc1cccc(c1)[*:1]
Cc1csc([C@H](C)NC(=O)COc2ccc3c(c2)CCC(=O)N3)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)COc1ccc2NC(=O)CCc2c1)[*:1]
CO[C@]1(C)C[C@H](NC(=O)NNC(=O)c2ccc(C)s2)C1(C)C Cc1ccc(s1)[*:1] CO[C@]1(C)C[C@H](NC(=O)NNC(=O)[*:1])C1(C)C
COC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2sccc2C)c1 Cc1ccsc1C[*:1] COC(=O)c1cccc(c1)NC(=O)C(=O)N(C)[*:1]
COC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2sccc2C)c1 Cc1ccsc1[*:1] COC(=O)c1cccc(c1)NC(=O)C(=O)N(C)C[*:1]
COC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2sccc2C)c1 COC(=O)[*:1] Cc1ccsc1CN(C)C(=O)C(=O)Nc1cccc(c1)[*:1]
COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 N#CCC(=O)NN=C[*:1] COc1cc(cc(Br)c1OCc1ccc(Cl)c(Cl)c1)[*:1]
COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OC[*:1]
COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)C[*:1] COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1O[*:1]
COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 N#CC[*:1] COc1cc(/C=N/NC(=O)[*:1])cc(Br)c1OCc1ccc(Cl)c(Cl)c1
O=c1c2ccsc2ncn1Cc1nc(Cc2ccccc2)no1 c1ccc(cc1)[*:1] O=c1c2ccsc2ncn1Cc1nc(C[*:1])no1
O=c1c2ccsc2ncn1Cc1nc(Cc2ccccc2)no1 c1ccc(cc1)C[*:1] O=c1c2ccsc2ncn1Cc1nc(no1)[*:1]
Cc1ccc(C[NH2+][C@H](C)[C@H](C)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)C[NH2+][C@H](C)[C@H](C)[*:1]
O=C(CNc1ccccc1OC(F)F)NC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNc1ccccc1OC(F)F)NC(=O)NC[*:1]
O=C(CNc1ccccc1OC(F)F)NC(=O)NCc1ccccc1 FC(F)O[*:1] O=C(CNc1ccccc1[*:1])NC(=O)NCc1ccccc1
O=C(CNc1ccccc1OC(F)F)NC(=O)NCc1ccccc1 FC(F)[*:1] O=C(CNc1ccccc1O[*:1])NC(=O)NCc1ccccc1
O=C(CNc1ccccc1OC(F)F)NC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNc1ccccc1OC(F)F)NC(=O)N[*:1]
NC(=O)c1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)c(c1)[*:1]
NC(=O)c1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 Fc1ccc(cc1)[*:1] NC(=O)c1ccc(CN[C@H](c2ccccc2)[*:1])c(c1)[N+](=O)[O-]
NC(=O)c1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 NC(=O)[*:1] O=[N+]([O-])c1cc(ccc1CN[C@H](c1ccccc1)c1ccc(F)cc1)[*:1]
NC(=O)c1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] NC(=O)c1ccc(CN[C@H](c2ccc(F)cc2)[*:1])c(c1)[N+](=O)[O-]
C[C@](O)(CNC(=O)c1cccc(Cl)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNC(=O)c1cccc(Cl)c1)[*:1]
C[C@H](CNC(=O)c1n[nH]c(=O)[nH]1)Oc1ccc(F)cc1 O=c1[nH]nc([nH]1)[*:1] C[C@H](CNC(=O)[*:1])Oc1ccc(F)cc1
Cc1ccc(C)c(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)c1 O=C(N1CCCC1)[*:1] Cc1ccc(C)c(c1)C(=O)CSc1ccc(cn1)[*:1]
Cc1ccc(C)c(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)c1 Cc1ccc(C)c(c1)[*:1] O=C(c1ccc(nc1)SCC(=O)[*:1])N1CCCC1
CN(C)CN1C(=O)/C(=N\c2sc3c(c2C#N)CCCC3)c2cc(Br)ccc21 CN(C)C[*:1] N#Cc1c(/N=C2\C(=O)N(c3ccc(Br)cc32)[*:1])sc2CCCCc21
CN(C)CN1C(=O)/C(=N\c2sc3c(c2C#N)CCCC3)c2cc(Br)ccc21 CN(C)[*:1] N#Cc1c(/N=C2\C(=O)N(C[*:1])c3ccc(Br)cc32)sc2CCCCc21
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)OCCN2CCCC2=O)cc1 CC(C)[*:1] O=C(OCCN1CCCC1=O)[C@@H]1C[C@H]1c1ccc(cc1)[*:1]
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)OCCN2CCCC2=O)cc1 O=C1CCCN1C[*:1] CC(C)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)OC[*:1]
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)OCCN2CCCC2=O)cc1 O=C1CCCN1[*:1] CC(C)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)OCC[*:1]
C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1])c1ccccc1
C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(Cl)cc1)[*:1]
C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(Cl)cc1
C[C@@H]([NH2+]Cc1cscn1)c1cccc2ccccc12 c1nc(cs1)[*:1] C[C@@H]([NH2+]C[*:1])c1cccc2ccccc12
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC(NC(N)=O)CC3)C2)cc1 NC(=O)N[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC(NC(N)=O)CC3)C2)cc1 Cc1ccc(cc1)[*:1] NC(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
COc1ccc2[nH]cc(CC(=O)NCc3nc(-c4cccc(C#N)c4)c[nH]3)c2c1 N#Cc1cccc(c1)[*:1] COc1ccc2[nH]cc(CC(=O)NCc3nc(c[nH]3)[*:1])c2c1
COC(=O)[C@H](CC(C)C)NC(=O)C1=NN(C)C(=O)CC1 CC(C)[*:1] COC(=O)[C@H](C[*:1])NC(=O)C1CCC(=O)N(C)N=1
COC(=O)[C@H](CC(C)C)NC(=O)C1=NN(C)C(=O)CC1 COC(=O)[*:1] CC(C)C[C@H](NC(=O)C1CCC(=O)N(C)N=1)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)C1=NN(C)C(=O)CC1 CC(C)C[*:1] COC(=O)[C@H](NC(=O)C1CCC(=O)N(C)N=1)[*:1]
C[C@](O)(CNC(=O)CSCC(F)(F)F)c1ccccc1 FC(F)(F)CS[*:1] C[C@](O)(CNC(=O)C[*:1])c1ccccc1
C[C@](O)(CNC(=O)CSCC(F)(F)F)c1ccccc1 FC(F)(F)[*:1] C[C@](O)(CNC(=O)CSC[*:1])c1ccccc1
C[C@](O)(CNC(=O)CSCC(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNC(=O)CSCC(F)(F)F)[*:1]
C[C@](O)(CNC(=O)CSCC(F)(F)F)c1ccccc1 FC(F)(F)C[*:1] C[C@](O)(CNC(=O)CS[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N2CCN=C2S[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN=C1S[C@@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2CCN=C2S[C@@H](C)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](SC1=NCCN1S(=O)(=O)[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N2CCN=C2S[C@@H](C)c2ccccc2)cc1 C[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN=C1S[*:1]
CCCOC[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 CCCO[*:1] CC1(C)O[C@@H]2O[C@H](C[*:1])[C@H]3OC(C)(C)O[C@@H]3[C@H]2O1
CCCOC[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 CCCOC[*:1] CC1(C)O[C@@H]2O[C@@H]([C@H]3OC(C)(C)O[C@@H]3[C@H]2O1)[*:1]
CCCOC[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 CCC[*:1] CC1(C)O[C@@H]2O[C@H](CO[*:1])[C@H]3OC(C)(C)O[C@@H]3[C@H]2O1
Nc1cccc2oc(CS(=O)(=O)c3ccccc3)nc12 c1ccc(cc1)[*:1] Nc1cccc2oc(CS(=O)(=O)[*:1])nc12
O=S(=O)(CC[C@@H]1CCCO1)N1CCc2cc(F)ccc2C1 C1CO[C@@H](C1)C[*:1] O=S(=O)(C[*:1])N1CCc2cc(F)ccc2C1
O=S(=O)(CC[C@@H]1CCCO1)N1CCc2cc(F)ccc2C1 C1CO[C@@H](C1)[*:1] O=S(=O)(CC[*:1])N1CCc2cc(F)ccc2C1
CCC[NH2+]Cc1ccnc(CCC(F)(F)F)n1 FC(F)(F)C[*:1] CCC[NH2+]Cc1ccnc(C[*:1])n1
CCC[NH2+]Cc1ccnc(CCC(F)(F)F)n1 FC(F)(F)[*:1] CCC[NH2+]Cc1ccnc(CC[*:1])n1
CCC[NH2+]Cc1ccnc(CCC(F)(F)F)n1 CCC[*:1] FC(F)(F)CCc1nccc(C[NH2+][*:1])n1
CSc1ccc(C(=O)c2ccccc2C(N)=O)cc1[N+](=O)[O-] NC(=O)[*:1] CSc1ccc(cc1[N+](=O)[O-])C(=O)c1ccccc1[*:1]
CSc1ccc(C(=O)c2ccccc2C(N)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CSc1ccc(cc1[*:1])C(=O)c1ccccc1C(N)=O
Cc1ccc(NC(=O)COc2cccc(NC(=O)C(C)C)c2)cc1 Cc1ccc(cc1)[*:1] CC(C)C(=O)Nc1cccc(c1)OCC(=O)N[*:1]
Cc1ccc(NC(=O)COc2cccc(NC(=O)C(C)C)c2)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)COc1cccc(c1)NC(=O)[*:1]
Cc1ccc(NC(=O)COc2cccc(NC(=O)C(C)C)c2)cc1 CC(C)C(=O)N[*:1] Cc1ccc(cc1)NC(=O)COc1cccc(c1)[*:1]
CCOC(=O)C(F)(F)OC1CCCCCC1 CCOC(=O)[*:1] FC(F)(OC1CCCCCC1)[*:1]
O=C(Cc1ccccc1C(F)(F)F)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(Cc1ccccc1C(F)(F)F)N[C@@H](CO)[*:1]
O=C(Cc1ccccc1C(F)(F)F)N[C@@H](CO)c1ccco1 FC(F)(F)[*:1] O=C(Cc1ccccc1[*:1])N[C@@H](CO)c1ccco1
Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1[*:1]
Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1[N+](=O)[O-] c1coc(c1)[*:1] Cc1[nH]nc(C(=O)N2CCCCC[C@H]2[*:1])c1[N+](=O)[O-]
CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)c4ccccc4F)n3)ccc21 Fc1ccccc1[*:1] CC(C)C(=O)N1CCCc2cc(ccc21)-c1csc(n1)N(C)C(=O)[*:1]
CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)c4ccccc4F)n3)ccc21 CC(C)[*:1] CN(C(=O)c1ccccc1F)c1nc(cs1)-c1ccc2c(c1)CCCN2C(=O)[*:1]
CCOC(=O)C[C@H](C)CNC(=O)N1CCN(c2ccc(F)cc2)CC1 CCOC(=O)[*:1] C[C@H](CNC(=O)N1CCN(CC1)c1ccc(F)cc1)C[*:1]
CCOC(=O)C[C@H](C)CNC(=O)N1CCN(c2ccc(F)cc2)CC1 CCOC(=O)C[*:1] C[C@H](CNC(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1]
CCOC(=O)C[C@H](C)CNC(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)C[C@H](C)CNC(=O)N1CCN(CC1)[*:1]
O=C(NC[C@@H]1CCC[C@@H](O)C1)NCC1(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(NC[C@@H]1CCC[C@@H](O)C1)NCC1(CC1)[*:1]
C[C@H]1Oc2ccccc2N(CCC(=O)N(C)C[C@@H]2CCCO2)C1=O C1CO[C@@H](C1)C[*:1] C[C@H]1Oc2ccccc2N(CCC(=O)N(C)[*:1])C1=O
C[C@H]1Oc2ccccc2N(CCC(=O)N(C)C[C@@H]2CCCO2)C1=O C1CO[C@@H](C1)[*:1] C[C@H]1Oc2ccccc2N(CCC(=O)N(C)C[*:1])C1=O
CC(C)COc1cccc(NCC[NH+]2CCCCCC2)c1 CC(C)C[*:1] c1cc(cc(c1)O[*:1])NCC[NH+]1CCCCCC1
CC(C)COc1cccc(NCC[NH+]2CCCCCC2)c1 CC(C)CO[*:1] c1cc(cc(c1)[*:1])NCC[NH+]1CCCCCC1
CC(C)COc1cccc(NCC[NH+]2CCCCCC2)c1 CC(C)[*:1] c1cc(cc(c1)OC[*:1])NCC[NH+]1CCCCCC1
COc1ccc(-c2nnc(SC[C@@H](O)c3ccccc3Cl)n2C)cc1 COc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SC[C@@H](O)c1ccccc1Cl
COc1ccc(-c2nnc(SC[C@@H](O)c3ccccc3Cl)n2C)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-c1nnc(SC[C@@H](O)[*:1])n1C
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(C(F)(F)F)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)C(F)(F)F)N(Cc1nnc(o1)-c1ccccc1Cl)[*:1]
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(C(F)(F)F)cc1 Clc1ccccc1[*:1] CC(C)N(Cc1nnc(o1)[*:1])C(=O)Cc1ccc(cc1)C(F)(F)F
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] CC(C)N(Cc1nnc(o1)-c1ccccc1Cl)C(=O)C[*:1]
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)N(Cc1nnc(o1)-c1ccccc1Cl)C(=O)Cc1ccc(cc1)[*:1]
CC[C@@H](CCO)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] CC[C@@H](CCO)NC(=O)Nc1ccc(c(Cl)c1)[*:1]
CC[C@@H](CCO)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 CC[C@@H](CCO)[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N[*:1]
CC[C@@H](CCO)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 OCC[*:1] CC[C@@H](NC(=O)Nc1ccc(c(Cl)c1)[N+](=O)[O-])[*:1]
CCn1ccnc1/C=C/C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 CCn1ccnc1[*:1] O=C(C=C[*:1])N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1
CCn1ccnc1/C=C/C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CCn1ccnc1/C=C/C(=O)N[C@H]1CCO[C@@H]1[*:1]
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)[*:1]
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CCOCC2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)C(=O)N[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])C(=O)Nc1ccc(Cl)cc1
CC(=O)S[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 O=[N+]([O-])C[*:1] CC(=O)S[C@@H](c1c[nH]c2ccccc12)[*:1]
CC(=O)S[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 CC(=O)S[*:1] O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc12)[*:1]
CC(=O)S[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 O=[N+]([O-])[*:1] CC(=O)S[C@@H](C[*:1])c1c[nH]c2ccccc12
C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)n1nc(C(=O)[O-])c2ccccc2c1=O O=C([O-])[*:1] C[C@H](C(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(c2ccccc2c1=O)[*:1]
C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)n1nc(C(=O)[O-])c2ccccc2c1=O FC(F)(F)[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])n1nc(C(=O)[O-])c2ccccc2c1=O
CCOc1ccccc1OCC(=O)N/N=C/c1ccncc1 CCO[*:1] O=C(COc1ccccc1[*:1])N/N=C/c1ccncc1
CCOc1ccccc1OCC(=O)N/N=C/c1ccncc1 c1cc(ccn1)[*:1] CCOc1ccccc1OCC(=O)NN=C[*:1]
O=C(Nc1nncs1)N1CC=C(c2ccc(Cl)cc2)CC1 c1nnc(s1)[*:1] O=C(N[*:1])N1CC=C(CC1)c1ccc(Cl)cc1
O=C(Nc1nncs1)N1CC=C(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1nncs1)N1CC=C(CC1)[*:1]
Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@H]3CCO[C@H]3C(C)C)cc2)o1 CC(C)[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)C(=O)NC[C@H]1CCO[C@@H]1[*:1]
Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@H]3CCO[C@H]3C(C)C)cc2)o1 Cc1nnc(o1)[*:1] CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
[NH3+][C@H]1CCN(c2nc3c([N+](=O)[O-])cccc3o2)C1 O=[N+]([O-])[*:1] [NH3+][C@H]1CCN(C1)c1nc2c(cccc2o1)[*:1]
COc1cccc([C@H]2N/C(=C\C(=O)N[C@@H](C)CC3=c4ccccc4=[NH+]C3)CS2)c1 COc1cccc(c1)[*:1] C[C@@H](CC1C[NH+]=c2ccccc2=1)NC(=O)/C=C1/CS[C@H](N1)[*:1]
COc1ccccc1CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 COc1ccccc1CC(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 COc1ccccc1[*:1] O=C(C[*:1])Nc1ccc(cc1)NC(=O)C1CC1
COc1ccccc1CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] COc1ccccc1CC(=O)Nc1ccc(cc1)NC(=O)[*:1]
C[C@H](CC(=O)Nc1ccccc1Cn1cncn1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@H](CC(=O)Nc1ccccc1Cn1cncn1)[*:1]
C[C@H](CC(=O)Nc1ccccc1Cn1cncn1)Cc1ccc(Cl)cc1 c1ncn(n1)[*:1] C[C@H](CC(=O)Nc1ccccc1C[*:1])Cc1ccc(Cl)cc1
C[C@H](CC(=O)Nc1ccccc1Cn1cncn1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)Nc1ccccc1Cn1cncn1)C[*:1]
C[C@H](CC(=O)Nc1ccccc1Cn1cncn1)Cc1ccc(Cl)cc1 c1ncn(C[*:1])n1 C[C@H](CC(=O)Nc1ccccc1[*:1])Cc1ccc(Cl)cc1
COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)Nc2ccccc2F)cc1 COc1ccc(cc1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C[*:1])C(=O)Nc1ccccc1F
COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)Nc2ccccc2F)cc1 COc1ccc(cc1)C[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)Nc1ccccc1F)[*:1]
COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)Nc2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)N[*:1]
CC(=O)Nc1nnc(Sc2nnc([O-])[nH]c2=O)s1 CC(=O)N[*:1] O=c1[nH]c([O-])nnc1Sc1nnc(s1)[*:1]
CCc1ccc(N/C(N)=[NH+]/C[C@H](C)Cn2cccn2)cc1 c1cnn(c1)C[*:1] CCc1ccc(cc1)N/C(N)=[NH+]/C[C@H](C)[*:1]
CCc1ccc(N/C(N)=[NH+]/C[C@H](C)Cn2cccn2)cc1 c1cnn(c1)[*:1] CCc1ccc(cc1)N/C(N)=[NH+]/C[C@H](C)C[*:1]
COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(c3cccc[nH+]3)CC2)no1 COC[*:1] O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(on1)[*:1])N1CCN(CC1)c1cccc[nH+]1
COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(c3cccc[nH+]3)CC2)no1 COCc1cc(no1)[*:1] O=C(C[C@@H]1CC[NH2+]C[C@@H]1C[*:1])N1CCN(CC1)c1cccc[nH+]1
COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(c3cccc[nH+]3)CC2)no1 COCc1cc(C[*:1])no1 O=C(C[C@@H]1CC[NH2+]C[C@@H]1[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(Nc1ccccc1Oc1ccccc1)C(=O)NC1CCC(O)CC1 c1ccc(cc1)O[*:1] O=C(Nc1ccccc1[*:1])C(=O)NC1CCC(O)CC1
O=C(Nc1ccccc1Oc1ccccc1)C(=O)NC1CCC(O)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1O[*:1])C(=O)NC1CCC(O)CC1
O=C(Nc1ccccc1Oc1ccccc1)C(=O)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] O=C(Nc1ccccc1Oc1ccccc1)C(=O)N[*:1]
CCS(=O)(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCS(=O)(=O)N[C@H]1CCC[C@@H](C1)[*:1]
CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1 CS(=O)(=O)[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])Nc1cc2[nH]c(=O)[nH]c2cc1Br
CC(C)c1nsc(NCc2cn(-c3ccccc3)nn2)n1 c1ccc(cc1)[*:1] CC(C)c1nsc(n1)NCc1cn(nn1)[*:1]
CC(C)c1nsc(NCc2cn(-c3ccccc3)nn2)n1 CC(C)[*:1] c1ccc(cc1)-n1cc(CNc2nc(ns2)[*:1])nn1
COc1ccc(OC)c2nc3c(cc12)CN(Cc1ccccc1)C[C@H](C)O3 c1ccc(cc1)[*:1] COc1ccc(OC)c2nc3O[C@@H](C)CN(Cc3cc12)C[*:1]
COc1ccc(OC)c2nc3c(cc12)CN(Cc1ccccc1)C[C@H](C)O3 c1ccc(cc1)C[*:1] COc1ccc(OC)c2nc3O[C@@H](C)CN(Cc3cc12)[*:1]
CCOc1ccc(N(C)S(=O)(=O)Cc2cccc(C#N)c2)cc1 CCO[*:1] CN(c1ccc(cc1)[*:1])S(=O)(=O)Cc1cccc(C#N)c1
COc1ccc(Nc2nc(N)c(C(=O)CC(C)C)s2)cc1 CC(C)C[*:1] COc1ccc(cc1)Nc1nc(N)c(s1)C(=O)[*:1]
COc1ccc(Nc2nc(N)c(C(=O)CC(C)C)s2)cc1 CC(C)CC(=O)[*:1] COc1ccc(cc1)Nc1nc(N)c(s1)[*:1]
COc1ccc(Nc2nc(N)c(C(=O)CC(C)C)s2)cc1 CC(C)[*:1] COc1ccc(cc1)Nc1nc(N)c(s1)C(=O)C[*:1]
CS(=O)(=O)NCCSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] CS(=O)(=O)NCCSc1nnc(n1C1CC1)[*:1]
CS(=O)(=O)NCCSc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] CS(=O)(=O)NCCSc1nnc(C2CC2)n1[*:1]
CS(=O)(=O)NCCSc1nnc(C2CC2)n1C1CC1 CS(=O)(=O)N[*:1] C(C[*:1])Sc1nnc(C2CC2)n1C1CC1
CS(=O)(=O)NCCSc1nnc(C2CC2)n1C1CC1 CS(=O)(=O)NC[*:1] C1CC1c1nnc(SC[*:1])n1C1CC1
CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 CCC[*:1] N#Cc1cc(ccc1F)NC(=O)C(=O)N[C@@H]1C[C@H]1[*:1]
CCc1onc(C)c1NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 C[C@H](c1ccccc1)[*:1] CCc1onc(C)c1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCc1onc(C)c1NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 CCc1onc(C)c1[*:1] C[C@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCc1onc(C)c1NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 c1ccc(cc1)[*:1] CCc1onc(C)c1NC(=O)[C@@H]1CC(=O)N(C1)[C@H](C)[*:1]
COc1cc(CNn2cnnc2)cc(Br)c1OCc1ccccc1F Fc1ccccc1C[*:1] COc1cc(cc(Br)c1O[*:1])CNn1cnnc1
COc1cc(CNn2cnnc2)cc(Br)c1OCc1ccccc1F c1nncn1NC[*:1] COc1cc(cc(Br)c1OCc1ccccc1F)[*:1]
COc1cc(CNn2cnnc2)cc(Br)c1OCc1ccccc1F Fc1ccccc1[*:1] COc1cc(cc(Br)c1OC[*:1])CNn1cnnc1
O=C([O-])C[C@@H]1CN([C@H]2CCO[C@]3(CCOC3)C2)CCO1 O=C([O-])C[*:1] C1C[C@]2(CO1)C[C@H](CCO2)N1CCO[C@@H](C1)[*:1]
O=C([O-])C[C@@H]1CN([C@H]2CCO[C@]3(CCOC3)C2)CCO1 O=C([O-])[*:1] C1C[C@]2(CO1)C[C@H](CCO2)N1CCO[C@@H](C1)C[*:1]
CC(C)NS(=O)(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 CC(C)NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1=Cc2ccccc2OC1
CC(C)NS(=O)(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])C1=Cc2ccccc2OC1
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1C C1CO[C@@H](C1)[*:1] Cc1cccc(NC(=O)CN(C[*:1])C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1C
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1C Cc1cccc(c1C)[*:1] O=C(CN(C[C@@H]1CCCO1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1)N[*:1]
Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1C C1CO[C@@H](C1)C[*:1] Cc1cccc(NC(=O)CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)[*:1])c1C
COc1cccc(C(=O)NC[C@H]2Cc3cc(-c4ccc(C)cn4)ccc3O2)c1 COc1cccc(c1)[*:1] Cc1ccc(nc1)-c1ccc2O[C@@H](CNC(=O)[*:1])Cc2c1
COc1cccc(C(=O)NC[C@H]2Cc3cc(-c4ccc(C)cn4)ccc3O2)c1 Cc1ccc(nc1)[*:1] COc1cccc(c1)C(=O)NC[C@H]1Cc2cc(ccc2O1)[*:1]
C[NH2+][C@@H](CSc1ccc(C)cc1)c1cscc1Br Brc1cscc1[*:1] C[NH2+][C@@H](CSc1ccc(C)cc1)[*:1]
Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCC2(CC1)CN(C)C(=O)O2 Clc1ccccc1[*:1] Cc1oc(nc1C[NH+]1CCC2(CC1)CN(C)C(=O)O2)[*:1]
C[C@H](OCC1CC1)C(=O)N1CCC(O)(C(F)(F)F)CC1 C1CC1CO[*:1] C[C@H](C(=O)N1CCC(O)(CC1)C(F)(F)F)[*:1]
C[C@H](OCC1CC1)C(=O)N1CCC(O)(C(F)(F)F)CC1 C1CC1C[*:1] C[C@H](O[*:1])C(=O)N1CCC(O)(CC1)C(F)(F)F
C[C@H](OCC1CC1)C(=O)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] C[C@H](OCC1CC1)C(=O)N1CCC(O)(CC1)[*:1]
C[C@H](OCC1CC1)C(=O)N1CCC(O)(C(F)(F)F)CC1 C1CC1[*:1] C[C@H](OC[*:1])C(=O)N1CCC(O)(CC1)C(F)(F)F
NC(=O)C[NH+](CC(=O)NC1CCCCC1)C1CCCC1 C1CCC(CC1)[*:1] NC(=O)C[NH+](CC(=O)N[*:1])C1CCCC1
NC(=O)C[NH+](CC(=O)NC1CCCCC1)C1CCCC1 C1CCC(C1)[*:1] NC(=O)C[NH+](CC(=O)NC1CCCCC1)[*:1]
NC(=O)C[NH+](CC(=O)NC1CCCCC1)C1CCCC1 NC(=O)[*:1] O=C(C[NH+](C[*:1])C1CCCC1)NC1CCCCC1
NC(=O)C[NH+](CC(=O)NC1CCCCC1)C1CCCC1 NC(=O)C[*:1] O=C(C[NH+](C1CCCC1)[*:1])NC1CCCCC1
Cc1cc2c(SCc3nc([C@@H](C)OCC(C)C)no3)ncnc2s1 CC(C)C[*:1] Cc1cc2c(ncnc2s1)SCc1nc(no1)[C@@H](C)O[*:1]
Cc1cc2c(SCc3nc([C@@H](C)OCC(C)C)no3)ncnc2s1 CC(C)[*:1] Cc1cc2c(ncnc2s1)SCc1nc(no1)[C@@H](C)OC[*:1]
Cc1cc2c(SCc3nc([C@@H](C)OCC(C)C)no3)ncnc2s1 CC(C)CO[*:1] Cc1cc2c(ncnc2s1)SCc1nc(no1)[C@@H](C)[*:1]
Cc1cc2c(SCc3nc([C@@H](C)OCC(C)C)no3)ncnc2s1 CC(C)CO[C@H](C)[*:1] Cc1cc2c(ncnc2s1)SCc1nc(no1)[*:1]
CC(C)[C@H](NC(=O)CCc1ccccc1Cl)C(=O)N1CCCC1 Clc1ccccc1[*:1] CC(C)[C@H](NC(=O)CC[*:1])C(=O)N1CCCC1
CC(C)[C@H](NC(=O)CCc1ccccc1Cl)C(=O)N1CCCC1 CC(C)[*:1] O=C(CCc1ccccc1Cl)N[C@H](C(=O)N1CCCC1)[*:1]
CC(C)[C@H](NC(=O)CCc1ccccc1Cl)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](NC(=O)CCc1ccccc1Cl)[*:1]
COC(=O)CN(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 COC(=O)C[*:1] CN(C(=O)[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
COC(=O)CN(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 COC(=O)[*:1] CN(C[*:1])C(=O)[C@H]1CCCN(C1)S(C)(=O)=O
COc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)cc(OC)c1 C1CC1[*:1] COc1cc(cc(c1)OC)NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2ncnc3ccccc23)c1 CCN(CC)S(=O)(=O)[*:1] COc1ccc(cc1Nc1ncnc2ccccc12)[*:1]
Cn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1-c1ccccc1 C1CC1[*:1] Cn1c(nnc1-c1ccccc1)SCC(=O)Nc1nnc(s1)[*:1]
Cn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1-c1ccccc1 C1CC1c1nnc(s1)[*:1] Cn1c(nnc1-c1ccccc1)SCC(=O)N[*:1]
Cn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1nnc(s1)C1CC1
Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H](O)C2CCOCC2)c1 O[C@H](C1CCOCC1)[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)NC[*:1]
Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H](O)C2CCOCC2)c1 C1CC(CCO1)[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)NC[C@H](O)[*:1]
CC[C@H](NC(=O)Nc1ccc(-n2cnnn2)c(C)c1)c1ccncc1 c1nnnn1[*:1] CC[C@H](NC(=O)Nc1ccc(c(C)c1)[*:1])c1ccncc1
CC[C@H](NC(=O)Nc1ccc(-n2cnnn2)c(C)c1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)Nc1ccc(c(C)c1)-n1cnnn1)[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)OCc3c(C)noc3C)ccc21 Cc1noc(C)c1[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)OC[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)OCc3c(C)noc3C)ccc21 Cc1noc(C)c1C[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)O[*:1]
CCN1CCCc2cc(/C=N/NC(=S)Nc3cccc(Cl)c3)ccc21 Clc1cccc(c1)[*:1] CCN1CCCc2cc(/C=N/NC(=S)N[*:1])ccc21
CC(C)C(=O)Nc1ccc(C(=O)NC[C@@H](O)c2ccco2)cc1 CC(C)C(=O)N[*:1] O=C(NC[C@@H](O)c1ccco1)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)NC[C@@H](O)c2ccco2)cc1 c1coc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NC[C@@H](O)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)NC[C@@H](O)c2ccco2)cc1 CC(C)[*:1] O=C(NC[C@@H](O)c1ccco1)c1ccc(cc1)NC(=O)[*:1]
O=c1c2c3c(sc2[nH]c(=S)n1Cc1cccs1)CCC3 c1csc(c1)[*:1] O=c1c2c3CCCc3sc2[nH]c(=S)n1C[*:1]
O=c1c2c3c(sc2[nH]c(=S)n1Cc1cccs1)CCC3 c1csc(c1)C[*:1] O=c1c2c3CCCc3sc2[nH]c(=S)n1[*:1]
COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1O Fc1ccc(cc1F)[*:1] COc1cc(/C=C/C(=O)[*:1])cc(c1O)[N+](=O)[O-]
COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(/C=C/C(=O)c2ccc(F)c(F)c2)cc(c1O)[*:1]
CCOC(=O)C1CC[NH+](CCC(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] CCOC(=O)C1CC[NH+](CCC(=O)N[*:1])CC1
CCOC(=O)C1CC[NH+](CCC(=O)NC2CCCCC2)CC1 CCOC(=O)[*:1] O=C(CC[NH+]1CCC(CC1)[*:1])NC1CCCCC1
C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 c1ccc(nc1)[*:1] C[C@H]1CCC[C@H](C1)[NH+]1CCN(CC1)C[*:1]
C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)ccc1[*:1]
O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(-c2ccoc2)c1 c1ccc(nc1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cccc(c1)-c1ccoc1
O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] O=C(Nc1nc(cs1)-c1ccccn1)c1cccc(c1)[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)NCCc2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] CC(=O)NC[C@H]1CCCN(C1)C(=O)NCC[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)NCCc2c(F)cccc2F)C1 CC(=O)N[*:1] O=C(NCCc1c(F)cccc1F)N1CCC[C@@H](C1)C[*:1]
CC(=O)NC[C@H]1CCCN(C(=O)NCCc2c(F)cccc2F)C1 CC(=O)NC[*:1] O=C(NCCc1c(F)cccc1F)N1CCC[C@@H](C1)[*:1]
O=C(Nc1ccc2nsnc2c1)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] O=C(Nc1ccc2nsnc2c1)c1csc(n1)[*:1]
Cc1cc(CNc2ccc3c(c2)oc(=O)n3C)ccc1-n1cncn1 c1ncn(n1)[*:1] Cc1cc(ccc1[*:1])CNc1ccc2c(c1)oc(=O)n2C
Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)NC2CCCCC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(C[C@H]1C(=O)NCCN1C(=O)NC1CCCCC1)N[*:1]
Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1cc(C)cc(c1)NC(=O)C[C@H]1C(=O)NCCN1C(=O)N[*:1]
COC(=O)CCCc1csc(NC(=O)[C@H]2CCC(=O)N2)n1 COC(=O)CC[*:1] O=C1CC[C@@H](N1)C(=O)Nc1nc(cs1)C[*:1]
COC(=O)CCCc1csc(NC(=O)[C@H]2CCC(=O)N2)n1 COC(=O)C[*:1] O=C1CC[C@@H](N1)C(=O)Nc1nc(cs1)CC[*:1]
COC(=O)CCCc1csc(NC(=O)[C@H]2CCC(=O)N2)n1 COC(=O)CCC[*:1] O=C1CC[C@@H](N1)C(=O)Nc1nc(cs1)[*:1]
COC(=O)CCCc1csc(NC(=O)[C@H]2CCC(=O)N2)n1 O=C1CC[C@@H](N1)[*:1] COC(=O)CCCc1csc(n1)NC(=O)[*:1]
COC(=O)CCCc1csc(NC(=O)[C@H]2CCC(=O)N2)n1 COC(=O)[*:1] O=C1CC[C@@H](N1)C(=O)Nc1nc(cs1)CCC[*:1]
C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1CC(F)(F)F FC(F)(F)C[*:1] C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1[*:1]
C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1CC(F)(F)F FC(F)(F)[*:1] C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1C[*:1]
COc1cccc([C@H](CO)NC(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)c1 COc1cccc(c1)[*:1] C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N[C@@H](CO)[*:1]
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)ccc21 C1CCC(CC1)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)ccc21 O=C(NC1CCCCC1)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1CCC1CCCCC1 C1CCC(CC1)[*:1] C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1CC[*:1]
CC(C)c1nc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)NCCc1cn2CCCCc2[nH+]1)[*:1]
CCOc1ncnc(N2C[C@H](C)O[C@@H](C)C2)c1N CCO[*:1] C[C@H]1CN(C[C@H](C)O1)c1ncnc(c1N)[*:1]
CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccccc1OC)C(=O)OC CC[C@H](C)[*:1] COC(=O)[C@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccccc1OC)[*:1]
CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccccc1OC)C(=O)OC COc1ccccc1[*:1] CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1[*:1])C(=O)OC
CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccccc1OC)C(=O)OC COC(=O)[*:1] CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccccc1OC)[*:1]
CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccccc1OC)C(=O)OC CC[C@H](C)[C@@H](C(=O)OC)[*:1] COc1ccccc1[C@H]1c2[nH+]c[nH]c2CCN1C(=O)N[*:1]
CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CC(C)C[C@H](NC(=O)C[*:1])C(=O)[O-]
CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)[O-] CC(C)C[*:1] O=C(Cc1ccccc1)N[C@H](C(=O)[O-])[*:1]
CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)[O-] CC(C)[*:1] O=C(Cc1ccccc1)N[C@@H](C[*:1])C(=O)[O-]
CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](NC(=O)Cc1ccccc1)[*:1]
CSCCCCNC(=O)C(=O)Nc1cccnc1C CSC[*:1] Cc1ncccc1NC(=O)C(=O)NCCC[*:1]
CSCCCCNC(=O)C(=O)Nc1cccnc1C CSCC[*:1] Cc1ncccc1NC(=O)C(=O)NCC[*:1]
CSCCCCNC(=O)C(=O)Nc1cccnc1C CSCCC[*:1] Cc1ncccc1NC(=O)C(=O)NC[*:1]
CSCCCCNC(=O)C(=O)Nc1cccnc1C CSCCCC[*:1] Cc1ncccc1NC(=O)C(=O)N[*:1]
CCCN[C@@H](c1ccc(C)c(C)c1)[C@H]1CN(C)CCO1 CCCN[*:1] Cc1ccc(cc1C)[C@@H]([C@H]1CN(C)CCO1)[*:1]
CCCN[C@@H](c1ccc(C)c(C)c1)[C@H]1CN(C)CCO1 CCC[*:1] Cc1ccc(cc1C)[C@H](N[*:1])[C@H]1CN(C)CCO1
O=C([C@@H]1CCCN(c2cc[nH+]cc2)C1)N1CCN(C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C([C@@H]1CCCN(C1)c1cc[nH+]cc1)N1CCN(CC1)[*:1]
O=C(NCc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(O)c([N+](=O)[O-])c2)s1 O=[N+]([O-])[*:1] O=C(NCc1ccccc1)c1nnc(s1)/C(Cl)=C/c1ccc(O)c(c1)[*:1]
O=C(NCc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(O)c([N+](=O)[O-])c2)s1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1nnc(s1)/C(Cl)=C/c1ccc(O)c(c1)[N+](=O)[O-]
O=C(NCc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(O)c([N+](=O)[O-])c2)s1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1nnc(s1)/C(Cl)=C/c1ccc(O)c(c1)[N+](=O)[O-]
O=C(CCOC1CCOCC1)N(CC(F)F)c1cccc(Cl)c1 FC(F)[*:1] O=C(CCOC1CCOCC1)N(C[*:1])c1cccc(Cl)c1
O=C(CCOC1CCOCC1)N(CC(F)F)c1cccc(Cl)c1 FC(F)C[*:1] O=C(CCOC1CCOCC1)N(c1cccc(Cl)c1)[*:1]
O=C(CCOC1CCOCC1)N(CC(F)F)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CCOC1CCOCC1)N(CC(F)F)[*:1]
O=C(CCOC1CCOCC1)N(CC(F)F)c1cccc(Cl)c1 C1CC(CCO1)O[*:1] O=C(CC[*:1])N(CC(F)F)c1cccc(Cl)c1
O=C(CCOC1CCOCC1)N(CC(F)F)c1cccc(Cl)c1 C1CC(CCO1)[*:1] O=C(CCO[*:1])N(CC(F)F)c1cccc(Cl)c1
CSC1(CNC(=O)N(C)[C@@H](C)C2CC2)CCOCC1 C[C@@H](C1CC1)[*:1] CSC1(CCOCC1)CNC(=O)N(C)[*:1]
CSC1(CNC(=O)N(C)[C@@H](C)C2CC2)CCOCC1 C1CC1[*:1] CSC1(CCOCC1)CNC(=O)N(C)[C@@H](C)[*:1]
COC(=O)c1cccc(CCNS(=O)(=O)c2ccc3cn[nH]c3c2)c1 COC(=O)[*:1] O=S(=O)(NCCc1cccc(c1)[*:1])c1ccc2cn[nH]c2c1
C=CC[n+]1c(NC(=O)NCC)sn(CC)c1=O C=CC[*:1] CCNC(=O)Nc1sn(CC)c(=O)[n+]1[*:1]
CCCN(CCC)c1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl CCC[*:1] CCCN(c1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl)[*:1]
CCCN(CCC)c1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl O=C([O-])[*:1] CCCN(CCC)c1c(Cl)c(Cl)nc(c1Cl)[*:1]
C[C@@H](c1ccncc1)N1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)CC1 C[C@@H](c1ccncc1)[*:1] C[C@@H]([NH2+]C1CCN(CC1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
C[C@@H](c1ccncc1)N1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)CC1 c1cc(ccn1)[*:1] C[C@@H](N1CCC(CC1)[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)[*:1]
C[C@@H](CO)CS(=O)(=O)[C@H](C)C(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CO)CS(=O)(=O)[C@H](C)C(=O)NC[*:1]
C[C@@H](CO)CS(=O)(=O)[C@H](C)C(=O)NCc1ccc(Cl)cc1 C[C@@H](CO)[*:1] C[C@H](C(=O)NCc1ccc(Cl)cc1)S(=O)(=O)C[*:1]
COCCOc1ccc(/C=C2\Cc3cc4c(cc3C2=O)OCCO4)cc1 COCC[*:1] O=C1/C(=C/c2ccc(cc2)O[*:1])Cc2cc3OCCOc3cc21
COCCOc1ccc(/C=C2\Cc3cc4c(cc3C2=O)OCCO4)cc1 COCCO[*:1] O=C1/C(=C/c2ccc(cc2)[*:1])Cc2cc3OCCOc3cc21
COCCOc1ccc(/C=C2\Cc3cc4c(cc3C2=O)OCCO4)cc1 COC[*:1] O=C1/C(=C/c2ccc(cc2)OC[*:1])Cc2cc3OCCOc3cc21
C#CCCOC(=O)/C=C/c1cnn(-c2ccccc2)c1 C#CC[*:1] O=C(/C=C/c1cnn(c1)-c1ccccc1)OC[*:1]
C#CCCOC(=O)/C=C/c1cnn(-c2ccccc2)c1 C#CCC[*:1] O=C(/C=C/c1cnn(c1)-c1ccccc1)O[*:1]
C#CCCOC(=O)/C=C/c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] C#CCCOC(=O)/C=C/c1cnn(c1)[*:1]
Cc1ccc(CC(=O)NCC(C)(C)c2cccs2)cn1 c1csc(c1)[*:1] Cc1ccc(cn1)CC(=O)NCC(C)(C)[*:1]
O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 c1ccc(nc1)[*:1] O=C(CSc1nnc(n1-c1ccc(Cl)cc1)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1cccc(c1)[*:1]
O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)N[*:1]
O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 Clc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccccn2)n1[*:1])Nc1cccc(c1)C(F)(F)F
CCOC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)CNC(=O)c1cc(Cl)cc(c1)[*:1]
CCOC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 CCOC(=O)C[*:1] O=C(N[*:1])c1cc(Cl)cc(c1)[N+](=O)[O-]
CCOC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 CCOC(=O)[*:1] O=C(NC[*:1])c1cc(Cl)cc(c1)[N+](=O)[O-]
C#CCOc1ccc(CCNC(=O)c2cnn(-c3ccncc3)c2C)cc1 c1cc(ccn1)[*:1] C#CCOc1ccc(cc1)CCNC(=O)c1cnn(c1C)[*:1]
C#CCOc1ccc(CCNC(=O)c2cnn(-c3ccncc3)c2C)cc1 C#CCO[*:1] Cc1c(cnn1-c1ccncc1)C(=O)NCCc1ccc(cc1)[*:1]
C#CCOc1ccc(CCNC(=O)c2cnn(-c3ccncc3)c2C)cc1 C#CC[*:1] Cc1c(cnn1-c1ccncc1)C(=O)NCCc1ccc(cc1)O[*:1]
CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)CC1 c1ccc2c(cccc2c1)[*:1] CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(C2)C(=O)[*:1])CC1
CNC(=O)CN(C)c1ncnc2sc(C)cc12 CNC(=O)C[*:1] Cc1cc2c(ncnc2s1)N(C)[*:1]
CNC(=O)CN(C)c1ncnc2sc(C)cc12 CNC(=O)[*:1] Cc1cc2c(ncnc2s1)N(C)C[*:1]
Cc1cscc1C[NH2+][C@@H](C)c1ccccc1OC(F)F FC(F)[*:1] Cc1cscc1C[NH2+][C@@H](C)c1ccccc1O[*:1]
Cc1cscc1C[NH2+][C@@H](C)c1ccccc1OC(F)F FC(F)O[*:1] Cc1cscc1C[NH2+][C@@H](C)c1ccccc1[*:1]
Cc1cscc1C[NH2+][C@@H](C)c1ccccc1OC(F)F Cc1cscc1[*:1] C[C@H]([NH2+]C[*:1])c1ccccc1OC(F)F
CC(=O)Nc1cccc(NC(=O)NCC[C@@H]2C[C@H]3CC[C@@H]2C3)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2
COc1cccc(CCC(=O)N2CCC[C@@H]2c2ccccc2C)c1 Cc1ccccc1[*:1] COc1cccc(c1)CCC(=O)N1CCC[C@H]1[*:1]
COc1cccc(CCC(=O)N2CCC[C@@H]2c2ccccc2C)c1 COc1cccc(c1)[*:1] Cc1ccccc1[C@H]1CCCN1C(=O)CC[*:1]
COc1ccc(C2CC(=O)N(c3ccc(Cl)cc3)C(=O)C2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)C1CC(=O)N(C(=O)C1)[*:1]
O=C(CN(CCO)c1ccccc1)NC[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(CN(CCO)[*:1])NC[C@H]1CCCO1
O=C(CN(CCO)c1ccccc1)NC[C@H]1CCCO1 OCC[*:1] O=C(CN(c1ccccc1)[*:1])NC[C@H]1CCCO1
O=C(CN(CCO)c1ccccc1)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(CN(CCO)c1ccccc1)N[*:1]
O=C(CN(CCO)c1ccccc1)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(CN(CCO)c1ccccc1)NC[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(C)n2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)CSc1nnc(C)n1[*:1]
CC[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(C)n2Cc2ccccc2)C1 c1ccc(cc1)[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)CSc1nnc(C)n1C[*:1]
COc1ccccc1CN(C(=O)c1ccc([S@](C)=O)cc1)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)c1ccc(cc1)[S@](C)=O)[*:1]
COc1ccccc1CN(C(=O)c1ccc([S@](C)=O)cc1)C1CC1 COc1ccccc1[*:1] C[S@](=O)c1ccc(cc1)C(=O)N(C[*:1])C1CC1
CCC[C@H](C)N1C[C@@H](C(=O)N[C@@H]2CCCc3c2cnn3C)CC1=O CCC[*:1] C[C@H](N1C[C@H](CC1=O)C(=O)N[C@@H]1CCCc2c1cnn2C)[*:1]
CCC[C@H](C)N1C[C@@H](C(=O)N[C@@H]2CCCc3c2cnn3C)CC1=O CCC[C@H](C)[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCCN1CCC([NH2+]C2C(C)(C)C2(C)C)CC1 CCC[*:1] CC1(C)C([NH2+]C2CCN(CC2)[*:1])C1(C)C
O=C(Cn1ccc2ccc(Cl)cc21)Nc1nnc(Cc2ccccc2)s1 c1ccc(cc1)[*:1] O=C(Cn1ccc2ccc(Cl)cc21)Nc1nnc(C[*:1])s1
O=C(Cn1ccc2ccc(Cl)cc21)Nc1nnc(Cc2ccccc2)s1 c1ccc(cc1)C[*:1] O=C(Cn1ccc2ccc(Cl)cc21)Nc1nnc(s1)[*:1]
Cc1cccn2c(=O)c(C(=O)NC(C)C)c(O)nc12 CC(C)NC(=O)[*:1] Cc1cccn2c(=O)c(c(O)nc12)[*:1]
Cc1cccn2c(=O)c(C(=O)NC(C)C)c(O)nc12 CC(C)[*:1] Cc1cccn2c(=O)c(C(=O)N[*:1])c(O)nc12
Cc1cc(C)c(C(=O)N2CCC[C@H](c3nc(SCc4ccccn4)ncc3C)C2)[nH]1 Cc1cc(C)c([nH]1)[*:1] Cc1cnc(nc1[C@H]1CCCN(C1)C(=O)[*:1])SCc1ccccn1
Cc1cc(C)c(C(=O)N2CCC[C@H](c3nc(SCc4ccccn4)ncc3C)C2)[nH]1 c1ccc(CS[*:1])nc1 Cc1cc(C)c([nH]1)C(=O)N1CCC[C@@H](C1)c1nc(ncc1C)[*:1]
Cc1cc(C)c(C(=O)N2CCC[C@H](c3nc(SCc4ccccn4)ncc3C)C2)[nH]1 c1ccc(nc1)[*:1] Cc1cc(C)c([nH]1)C(=O)N1CCC[C@@H](C1)c1nc(ncc1C)SC[*:1]
Cc1cc(C)c(C(=O)N2CCC[C@H](c3nc(SCc4ccccn4)ncc3C)C2)[nH]1 c1ccc(C[*:1])nc1 Cc1cc(C)c([nH]1)C(=O)N1CCC[C@@H](C1)c1nc(ncc1C)S[*:1]
CCOc1cccc(CNC(=O)C(=O)Nc2cccc3ccccc23)c1 CCO[*:1] O=C(NCc1cccc(c1)[*:1])C(=O)Nc1cccc2ccccc12
CC[C@@H](C)[C@@H]1CN(C[C@@H]2COc3ccccc32)[C@H](C)C[NH2+]1 CC[C@@H](C)[*:1] C[C@@H]1C[NH2+][C@@H](CN1C[C@@H]1COc2ccccc21)[*:1]
CC[NH+](CC)CC#CCOc1ccc(/C=C/c2ccccn2)cc1 c1ccc(nc1)[*:1] CC[NH+](CC)CC#CCOc1ccc(C=C[*:1])cc1
CC[NH+](CC)CC#CCOc1ccc(/C=C/c2ccccn2)cc1 C(=C[*:1])c1ccccn1 CC[NH+](CC)CC#CCOc1ccc(cc1)[*:1]
Fc1ccc([C@@H]2CN(c3nccc(CCC(F)(F)F)n3)CCO2)cc1 FC(F)(F)C[*:1] Fc1ccc(cc1)[C@@H]1CN(CCO1)c1nccc(C[*:1])n1
Fc1ccc([C@@H]2CN(c3nccc(CCC(F)(F)F)n3)CCO2)cc1 FC(F)(F)CC[*:1] Fc1ccc(cc1)[C@@H]1CN(CCO1)c1nccc(n1)[*:1]
Fc1ccc([C@@H]2CN(c3nccc(CCC(F)(F)F)n3)CCO2)cc1 FC(F)(F)[*:1] Fc1ccc(cc1)[C@@H]1CN(CCO1)c1nccc(CC[*:1])n1
Fc1ccc([C@@H]2CN(c3nccc(CCC(F)(F)F)n3)CCO2)cc1 Fc1ccc(cc1)[*:1] FC(F)(F)CCc1ccnc(n1)N1CCO[C@@H](C1)[*:1]
Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC[NH+]2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCOCC1)c1ccccc1NC(=O)[*:1]
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1 Clc1ccc(nc1)[*:1] CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)N[*:1]
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1 CNS(=O)(=O)[*:1] O=C(COC(=O)c1cccc(c1)[*:1])Nc1ccc(Cl)cn1
Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4ccc(F)cc4F)C3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)[C@H]1CCCN(C1)C(=O)Nc1ccc(F)cc1F
Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4ccc(F)cc4F)C3)s2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](C1)c1nnc(s1)[*:1]
Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4ccc(F)cc4F)C3)s2)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)[C@H]1CCCN(C1)C(=O)N[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N(C)[C@@H]1CCc2ccccc21 Cc1noc(C)c1[*:1] C[C@H](NC(=O)N(C)[C@@H]1CCc2ccccc21)[*:1]
[NH3+][C@@H]1CCN(c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] [NH3+][C@@H]1CCN(C1)c1cccc(c1)[*:1]
COc1ccc2c(c1)[C@@H]([NH2+]C[C@](C)(O)CC(C)C)CC2 CC(C)[*:1] COc1ccc2CC[C@H]([NH2+]C[C@](C)(O)C[*:1])c2c1
COc1ccc2c(c1)[C@@H]([NH2+]C[C@](C)(O)CC(C)C)CC2 CC(C)C[*:1] COc1ccc2CC[C@H]([NH2+]C[C@](C)(O)[*:1])c2c1
Cc1c(CNC(=O)CC2CCCCC2)sc2nc(-c3cccs3)cn12 C1CCC(CC1)C[*:1] Cc1c(CNC(=O)[*:1])sc2nc(cn12)-c1cccs1
Cc1c(CNC(=O)CC2CCCCC2)sc2nc(-c3cccs3)cn12 C1CCC(CC1)[*:1] Cc1c(CNC(=O)C[*:1])sc2nc(cn12)-c1cccs1
Cc1c(CNC(=O)CC2CCCCC2)sc2nc(-c3cccs3)cn12 c1csc(c1)[*:1] Cc1c(CNC(=O)CC2CCCCC2)sc2nc(cn12)[*:1]
COCCCNC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CC(C)(C)CC2=O COCCCNC(=O)[*:1] Cc1ccc(cc1)-n1c2CC(C)(C)CC(=O)c2cc(c1=O)[*:1]
COCCCNC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CC(C)(C)CC2=O COCCC[*:1] Cc1ccc(cc1)-n1c2CC(C)(C)CC(=O)c2cc(C(=O)N[*:1])c1=O
COCCCNC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CC(C)(C)CC2=O COCC[*:1] Cc1ccc(cc1)-n1c2CC(C)(C)CC(=O)c2cc(C(=O)NC[*:1])c1=O
COCCCNC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CC(C)(C)CC2=O Cc1ccc(cc1)[*:1] COCCCNC(=O)c1cc2C(=O)CC(C)(C)Cc2n(c1=O)[*:1]
COCCCNC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CC(C)(C)CC2=O COC[*:1] Cc1ccc(cc1)-n1c2CC(C)(C)CC(=O)c2cc(C(=O)NCC[*:1])c1=O
CCc1nnc(-c2cccn2CC(=O)Nc2ccc(Cl)cc2C)o1 Cc1cc(Cl)ccc1[*:1] CCc1nnc(o1)-c1cccn1CC(=O)N[*:1]
CCc1nnc(-c2cccn2CC(=O)Nc2ccc(Cl)cc2C)o1 CCc1nnc(o1)[*:1] Cc1cc(Cl)ccc1NC(=O)Cn1cccc1[*:1]
CCOc1c(O)ccc(C)cc1=O CCO[*:1] Cc1ccc(O)c(c(=O)c1)[*:1]
COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(F)cc1 c1ccc(cc1)C[*:1] COC(=O)[C@@H](NC(=O)NCc1ccc(F)cc1)[*:1]
COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COC(=O)[C@@H](Cc1ccccc1)NC(=O)N[*:1]
COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(F)cc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C[*:1])NC(=O)NCc1ccc(F)cc1
COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H](Cc1ccccc1)NC(=O)NC[*:1]
COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(F)cc1 COC(=O)[*:1] O=C(NCc1ccc(F)cc1)N[C@H](Cc1ccccc1)[*:1]
C/C(=N\O)c1ccccc1OC[C@@H](C)C(N)=O C[C@@H](C(N)=O)[*:1] C/C(=N\O)c1ccccc1OC[*:1]
C/C(=N\O)c1ccccc1OC[C@@H](C)C(N)=O CC(=NO)[*:1] C[C@H](COc1ccccc1[*:1])C(N)=O
C/C(=N\O)c1ccccc1OC[C@@H](C)C(N)=O NC(=O)[*:1] C/C(=N\O)c1ccccc1OC[C@@H](C)[*:1]
COc1ccc(OC)c(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)cs2)c1 COc1ccc(OC)c(c1)[*:1] O=C(Cn1cccc1-c1nc(cs1)-c1ccc(Cl)cc1)N[*:1]
COc1ccc(OC)c(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)cs2)c1 Clc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)Cn1cccc1-c1nc(cs1)[*:1]
CCCN1C(=O)N=C(N)[C@H]1c1ccc2c(c1)OCCO2 CCC[*:1] NC1=NC(=O)N([C@@H]1c1ccc2OCCOc2c1)[*:1]
CCC[C@@H](C#N)NC(=O)c1cc(C)oc1C CCC[*:1] Cc1cc(C(=O)N[C@H](C#N)[*:1])c(C)o1
Cc1ccc(C(=O)OCc2c(C)noc2C)cc1S(=O)(=O)N1CCOCC1 Cc1noc(C)c1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)OC[*:1]
Cc1ccc(C(=O)OCc2c(C)noc2C)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)OCc1c(C)noc1C
Cc1ccc(C(=O)OCc2c(C)noc2C)cc1S(=O)(=O)N1CCOCC1 Cc1noc(C)c1C[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)O[*:1]
CC(C)[NH+](CCS[C@H]1CCCC[C@H]1O)C(C)C CC(C)[*:1] CC(C)[NH+](CCS[C@H]1CCCC[C@H]1O)[*:1]
C[C@H]1CN(C(=O)c2ccncc2C#CCO)[C@H](C)CO1 OCC#C[*:1] C[C@H]1CN(C(=O)c2ccncc2[*:1])[C@H](C)CO1
COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CC(=O)NC2C[C@H](CC(=O)C=21)[*:1]
Cc1ccc(C(=O)N(C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)C2CCCCC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2=C[C@@H](CN(C(=O)[*:1])C3CCCCC3)C(=O)[NH+]=c2c1
Cc1ccc(C(=O)N(C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)C(=O)N(C[C@@H]1C=c2ccc(C)cc2=[NH+]C1=O)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1 C[C@@H](C(N)=O)[*:1] CCOC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1 CCOC(=O)[*:1] C[C@H](NS(=O)(=O)c1ccc(cc1)[*:1])C(N)=O
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1 NC(=O)[*:1] CCOC(=O)c1ccc(cc1)S(=O)(=O)N[C@@H](C)[*:1]
COC[C@H](C)C[NH2+]CC1CC[NH2+]CC1 COC[*:1] C[C@H](C[NH2+]CC1CC[NH2+]CC1)[*:1]
CCCC(O)(CCC)[C@@]1(C)CC[C@@H](C(=O)[O-])C(C)(C)O1 O=C([O-])[*:1] CCCC(O)(CCC)[C@@]1(C)CC[C@@H](C(C)(C)O1)[*:1]
CCCC(O)(CCC)[C@@]1(C)CC[C@@H](C(=O)[O-])C(C)(C)O1 CCC[*:1] CCCC(O)([C@@]1(C)CC[C@@H](C(=O)[O-])C(C)(C)O1)[*:1]
COc1ccc(C(=O)Nc2cccc3[nH]cnc23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)Nc1cccc2[nH]cnc12
CCn1/c(=N/C(=O)c2cc(C)no2)[nH]c2cc(Br)ccc21 Cc1cc(on1)[*:1] CCn1/c(=N/C(=O)[*:1])[nH]c2cc(Br)ccc21
C[C@@]1(CNS(=O)(=O)CCC2CC2)CCCC[C@H]1O C1CC1C[*:1] C[C@]1(CCCC[C@H]1O)CNS(=O)(=O)C[*:1]
C[C@@]1(CNS(=O)(=O)CCC2CC2)CCCC[C@H]1O C1CC1[*:1] C[C@]1(CCCC[C@H]1O)CNS(=O)(=O)CC[*:1]
C[C@@]1(CNS(=O)(=O)CCC2CC2)CCCC[C@H]1O C1CC1CC[*:1] C[C@]1(CCCC[C@H]1O)CNS(=O)(=O)[*:1]
CC(C)N1C[C@H](C(=O)Oc2cccc(N3CCCC3=O)c2)CC1=O CC(C)[*:1] O=C(Oc1cccc(c1)N1CCCC1=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)N1C[C@H](C(=O)Oc2cccc(N3CCCC3=O)c2)CC1=O O=C1CCCN1[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)Oc1cccc(c1)[*:1]
C=CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2ccccc21 C=CC[*:1] O=C(/N=c1\sc2ccccc2n1[*:1])c1ccc(o1)[N+](=O)[O-]
C=CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2ccccc21 O=[N+]([O-])[*:1] C=CCn1/c(=N/C(=O)c2ccc(o2)[*:1])sc2ccccc21
Cc1nc(COC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)oc1C Cc1nc(oc1C)[*:1] C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OC[*:1]
Cc1nc(COC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)oc1C FC(F)(F)[*:1] Cc1nc(COC(=O)[C@H](C)Oc2ccccc2[*:1])oc1C
Cc1nc(COC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)oc1C Cc1nc(C[*:1])oc1C C[C@H](Oc1ccccc1C(F)(F)F)C(=O)O[*:1]
NC(=O)[C@@H]1COCCN1C(=O)CC(c1ccccc1)c1ccccc1 NC(=O)[*:1] O=C(CC(c1ccccc1)c1ccccc1)N1CCOC[C@H]1[*:1]
NC(=O)[C@@H]1COCCN1C(=O)CC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1COCCN1C(=O)CC(c1ccccc1)[*:1]
CCn1cc[nH+]c1CNc1cc(C(=O)N(C)C)ccc1C CN(C)C(=O)[*:1] CCn1cc[nH+]c1CNc1cc(ccc1C)[*:1]
CC(C)(C)CCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 CC(C)(C)C[*:1] C[C@@]1(NC(=O)NC1=O)c1cccc(c1)NC(=O)C[*:1]
CC(C)(C)CCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 CC(C)(C)[*:1] C[C@@]1(NC(=O)NC1=O)c1cccc(c1)NC(=O)CC[*:1]
CC(C)(C)CCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 CC(C)(C)CC[*:1] C[C@@]1(NC(=O)NC1=O)c1cccc(c1)NC(=O)[*:1]
CCOc1ccc2[nH]c(SCc3nc4ccccc4c(=O)[nH]3)nc2c1 CCO[*:1] O=c1[nH]c(CSc2nc3cc(ccc3[nH]2)[*:1])nc2ccccc12
CC[C@H](C)C[NH2+]C[C@@]1(CCO)CCOC1 CC[C@H](C)C[*:1] OCC[C@@]1(CCOC1)C[NH2+][*:1]
CC[C@H](C)C[NH2+]C[C@@]1(CCO)CCOC1 CC[C@H](C)[*:1] OCC[C@@]1(CCOC1)C[NH2+]C[*:1]
CC[C@H](C)C[NH2+]C[C@@]1(CCO)CCOC1 OCC[*:1] CC[C@H](C)C[NH2+]C[C@]1(CCOC1)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)cc1F Cc1ccc(cc1F)[*:1] O=C(NC1CC1)c1cccc(c1)[N-]S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)cc1F O=C(NC1CC1)[*:1] Cc1ccc(cc1F)S(=O)(=O)[N-]c1cccc(c1)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)cc1F C1CC1[*:1] Cc1ccc(cc1F)S(=O)(=O)[N-]c1cccc(c1)C(=O)N[*:1]
CCc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 Clc1ccc(cc1)[*:1] CCc1ccc(cc1)N[C@H]1CC(=O)N(C1=O)[*:1]
CC(C)(Cn1ccc2ccc([N+](=O)[O-])cc21)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] O=[N+]([O-])c1ccc2ccn(C[*:1])c2c1
CC(C)(Cn1ccc2ccc([N+](=O)[O-])cc21)C(=O)[O-] O=[N+]([O-])[*:1] CC(C)(Cn1ccc2ccc(cc21)[*:1])C(=O)[O-]
CC(C)(Cn1ccc2ccc([N+](=O)[O-])cc21)C(=O)[O-] O=C([O-])[*:1] CC(C)(Cn1ccc2ccc(cc21)[N+](=O)[O-])[*:1]
CC(C)c1n[nH]c([C@H]2CN(C(=O)C3=COCCC3)CCO2)n1 CC(C)[*:1] O=C(C1=COCCC1)N1CCO[C@H](C1)c1nc(n[nH]1)[*:1]
COc1ccc(-n2c(-c3ccc(N)cc3)nc3ccccc32)cc1 Nc1ccc(cc1)[*:1] COc1ccc(cc1)-n1c(nc2ccccc21)[*:1]
COc1ccc(-n2c(-c3ccc(N)cc3)nc3ccccc32)cc1 COc1ccc(cc1)[*:1] Nc1ccc(cc1)-c1nc2ccccc2n1[*:1]
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(O)cc2)C2=C([O-])C[C@H](C)CC2=N1 O=C(Nc1ccccn1)[*:1] CC1N=C2C[C@@H](C)CC([O-])=C2[C@H](C=1[*:1])c1ccc(O)cc1
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(O)cc2)C2=C([O-])C[C@H](C)CC2=N1 Oc1ccc(cc1)[*:1] CC1N=C2C[C@@H](C)CC([O-])=C2[C@@H](C=1C(=O)Nc1ccccn1)[*:1]
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(O)cc2)C2=C([O-])C[C@H](C)CC2=N1 c1ccc(nc1)[*:1] CC1N=C2C[C@@H](C)CC([O-])=C2[C@H](C=1C(=O)N[*:1])c1ccc(O)cc1
CCn1c(SCc2cn3ccccc3n2)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])SCc1cn2ccccc2n1
O=C(Cc1cc(-c2ccccc2)no1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 O=C(NCc1ccccc1)[*:1] O=C(Cc1cc(no1)-c1ccccc1)Nc1sc2CCCCc2c1[*:1]
O=C(Cc1cc(-c2ccccc2)no1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 c1ccc(cc1)[*:1] O=C(Cc1cc(no1)[*:1])Nc1sc2CCCCc2c1C(=O)NCc1ccccc1
O=C(Cc1cc(-c2ccccc2)no1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 c1ccc(cc1)-c1cc(on1)[*:1] O=C(C[*:1])Nc1sc2CCCCc2c1C(=O)NCc1ccccc1
O=C(Cc1cc(-c2ccccc2)no1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 c1ccc(cc1)[*:1] O=C(Cc1cc(no1)-c1ccccc1)Nc1sc2CCCCc2c1C(=O)NC[*:1]
O=C(Cc1cc(-c2ccccc2)no1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 c1ccc(cc1)C[*:1] O=C(Cc1cc(no1)-c1ccccc1)Nc1sc2CCCCc2c1C(=O)N[*:1]
O=C(NCc1noc(-c2ccsc2)n1)c1ccccc1F c1cc(cs1)[*:1] O=C(NCc1noc(n1)[*:1])c1ccccc1F
O=C(NCc1noc(-c2ccsc2)n1)c1ccccc1F Fc1ccccc1[*:1] O=C(NCc1noc(n1)-c1ccsc1)[*:1]
Cc1ccc(SCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CS[*:1])N1CCC(CC1)c1nc2ccccc2o1
Cc1ccc(SCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 Cc1ccc(cc1)S[*:1] O=C(C[*:1])N1CCC(CC1)c1nc2ccccc2o1
Cc1noc(C2CN(S(=O)(=O)c3cccnc3)C2)n1 Cc1noc(n1)[*:1] O=S(=O)(c1cccnc1)N1CC(C1)[*:1]
Cc1noc(C2CN(S(=O)(=O)c3cccnc3)C2)n1 c1cncc(c1)[*:1] Cc1noc(n1)C1CN(C1)S(=O)(=O)[*:1]
CC(C)CN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)C(C)C CC(C)C[*:1] CC(C)N(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)[*:1]
CC(C)CN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)C(C)C CC(C)[*:1] CC(C)N(C[*:1])C(=O)[C@@H]1CC[C@@H](C[NH3+])O1
CC(C)CN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)C(C)C CC(C)[*:1] CC(C)CN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)[*:1]
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CCC(N)=O)C2)cc1 NC(=O)CC[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CCC(N)=O)C2)cc1 NC(=O)[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](CC[*:1])C1
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CCC(N)=O)C2)cc1 NC(=O)C[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C[*:1]
Cc1cc(C)cc(OCCN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 Cc1cc(C)cc(c1)[*:1] CN(CCO[*:1])C(=O)Cn1c2ccccc2c(=O)c2ccccc21
Cc1cc(C)cc(OCCN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 Cc1cc(C)cc(c1)OC[*:1] CN(C[*:1])C(=O)Cn1c2ccccc2c(=O)c2ccccc21
Cc1cc(C)cc(OCCN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 Cc1cc(C)cc(c1)O[*:1] CN(CC[*:1])C(=O)Cn1c2ccccc2c(=O)c2ccccc21
C[C@H](Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)NCc1ccco1 O=C(NCc1ccco1)[*:1] C[C@H](Oc1c(oc2ccccc2c1=O)-c1ccco1)[*:1]
C[C@H](Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](Oc1c(oc2ccccc2c1=O)-c1ccco1)C(=O)NC[*:1]
C[C@H](Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](Oc1c(oc2ccccc2c1=O)[*:1])C(=O)NCc1ccco1
C[C@H](Oc1c(-c2ccco2)oc2ccccc2c1=O)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](Oc1c(oc2ccccc2c1=O)-c1ccco1)C(=O)N[*:1]
CCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 CCCC(=O)N[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 O=S(=O)(N1CCOCC1)[*:1] CCCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)C1(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC1 Clc1ccc(cc1)[*:1] CCOC(=O)C1(CC1)C(=O)Nc1ccc(nc1)O[*:1]
CCOC(=O)C1(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC1 Clc1ccc(cc1)O[*:1] CCOC(=O)C1(CC1)C(=O)Nc1ccc(nc1)[*:1]
CCOC(=O)C1(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC1 CCOC(=O)C1(CC1)[*:1] O=C(Nc1ccc(nc1)Oc1ccc(Cl)cc1)[*:1]
CCOC(=O)C1(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CC1 CCOC(=O)[*:1] O=C(Nc1ccc(nc1)Oc1ccc(Cl)cc1)C1(CC1)[*:1]
O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CCCC[C@H]2C1 O=[N+]([O-])[*:1] O=C(c1cccc(c1)[*:1])N1CC[C@H]2CCCC[C@H]2C1
C=C(C)Cn1c(CNC(=O)c2cccs2)nc2ccccc21 C=C(C)C[*:1] O=C(NCc1nc2ccccc2n1[*:1])c1cccs1
C=C(C)Cn1c(CNC(=O)c2cccs2)nc2ccccc21 c1csc(c1)[*:1] C=C(C)Cn1c(CNC(=O)[*:1])nc2ccccc21
C=C(C)Cn1c(CNC(=O)c2cccs2)nc2ccccc21 C=C(C)[*:1] O=C(NCc1nc2ccccc2n1C[*:1])c1cccs1
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H](C)Oc1ccccc1Cl Clc1ccccc1O[*:1] CCN(CC(=O)Nc1ccc2OCCOc2c1)C(=O)[C@@H](C)[*:1]
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H](C)Oc1ccccc1Cl Clc1ccccc1[*:1] CCN(CC(=O)Nc1ccc2OCCOc2c1)C(=O)[C@@H](C)O[*:1]
C[C@@H](CC(=O)N1CCOC[C@@H]1C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1COCCN1C(=O)C[C@H](C)[*:1]
CC[C@@](C)(Nc1ccccc1Br)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(Nc1ccccc1Br)[*:1]
C[C@@H](NC(=O)CCNC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@@H](NC(=O)CCNC(=O)c1ccccc1)[*:1]
C[C@@H](NC(=O)CCNC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CCNC(=O)[*:1])c1ccc(Cl)c(Cl)c1
COc1ccc(/C=C/C(=O)NC[C@@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)cc1 COc1ccc(C=C[*:1])cc1 Cc1cnc(C)c(n1)-c1cc(F)cc2C[C@@H](CNC(=O)[*:1])Oc21
COc1ccc(/C=C/C(=O)NC[C@@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)cc1 COc1ccc(cc1)[*:1] Cc1cnc(C)c(n1)-c1cc(F)cc2C[C@@H](CNC(=O)C=C[*:1])Oc21
COc1ccc(/C=C/C(=O)NC[C@@H]2Cc3cc(F)cc(-c4nc(C)cnc4C)c3O2)cc1 Cc1cnc(C)c(n1)[*:1] COc1ccc(/C=C/C(=O)NC[C@@H]2Cc3cc(F)cc(c3O2)[*:1])cc1
COc1ccc(N2C[C@@H](C(=O)Nc3cnn(CC(C)C)c3)CC2=O)cc1 CC(C)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1cnn(c1)C[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3cnn(CC(C)C)c3)CC2=O)cc1 COc1ccc(cc1)[*:1] CC(C)Cn1cc(cn1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@@H](C(=O)Nc3cnn(CC(C)C)c3)CC2=O)cc1 CC(C)C[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1cnn(c1)[*:1]
CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 CCC(C)(C)[*:1] C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N[*:1]
CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(C2CC2)n1[*:1]
CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 C1CC1[*:1] CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(n1C1CC1)[*:1]
CSCc1cc(F)ccc1CNC(=O)C1CCOCC1 CSC[*:1] O=C(NCc1ccc(F)cc1[*:1])C1CCOCC1
CSCc1cc(F)ccc1CNC(=O)C1CCOCC1 C1CC(CCO1)[*:1] CSCc1cc(F)ccc1CNC(=O)[*:1]
Cc1cnccc1-n1nc(C(C)C)nc1-c1cnc2cccc(C)n2c1=O CC(C)[*:1] Cc1cnccc1-n1nc(nc1-c1cnc2cccc(C)n2c1=O)[*:1]
Cc1cnccc1-n1nc(C(C)C)nc1-c1cnc2cccc(C)n2c1=O Cc1cnccc1[*:1] Cc1cccc2ncc(-c3nc(nn3[*:1])C(C)C)c(=O)n12
Cc1ccc(C)c(C(=O)Nc2ncccc2OC(F)F)c1 FC(F)O[*:1] Cc1ccc(C)c(c1)C(=O)Nc1ncccc1[*:1]
Cc1ccc(C)c(C(=O)Nc2ncccc2OC(F)F)c1 FC(F)[*:1] Cc1ccc(C)c(c1)C(=O)Nc1ncccc1O[*:1]
Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)[C@@H]1CCO[C@@H]1C C1CC1[*:1] Cc1c(nn(-c2ccccc2)c1NC(=O)[C@@H]1CCO[C@@H]1C)[*:1]
Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)[C@@H]1CCO[C@@H]1C c1ccc(cc1)[*:1] Cc1c(nn(c1NC(=O)[C@@H]1CCO[C@@H]1C)[*:1])C1CC1
C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H](C)S1 CS(=O)(=O)[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)c1ccc(Cl)c(c1)[*:1]
Cc1ccc(O[C@H](C)C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc1C Cc1ccc(cc1C)O[*:1] C[C@H](C(=O)Nc1cc(no1)-c1ccc(F)c(F)c1)[*:1]
Cc1ccc(O[C@H](C)C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](O[*:1])C(=O)Nc1cc(no1)-c1ccc(F)c(F)c1
Cc1ccc(O[C@H](C)C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc1C Fc1ccc(cc1F)[*:1] Cc1ccc(cc1C)O[C@H](C)C(=O)Nc1cc(no1)[*:1]
Cc1cc(C)cc(OCC(=O)N/N=C/c2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] Cc1cc(C)cc(c1)OCC(=O)NN=C[*:1]
CCOC(=O)c1cnn2c(-c3cnn(C)c3C)ccnc12 Cc1c(cnn1C)[*:1] CCOC(=O)c1cnn2c(ccnc12)[*:1]
CCOC(=O)c1cnn2c(-c3cnn(C)c3C)ccnc12 CCOC(=O)[*:1] Cc1c(cnn1C)-c1ccnc2c(cnn12)[*:1]
Cc1cccc(C(=O)NCc2ccc(C(=O)[O-])o2)c1O O=C([O-])[*:1] Cc1cccc(C(=O)NCc2ccc(o2)[*:1])c1O
CCCNC(=O)Nc1cccc(OCC(=O)N[C@H]2CCCc3ccccc32)c1 CCC[*:1] O=C(COc1cccc(c1)NC(=O)N[*:1])N[C@H]1CCCc2ccccc21
CCCNC(=O)Nc1cccc(OCC(=O)N[C@H]2CCCc3ccccc32)c1 CCCNC(=O)N[*:1] O=C(COc1cccc(c1)[*:1])N[C@H]1CCCc2ccccc21
Cc1cn2c(/C=C/C(=O)NCCCn3cnc4ccccc43)c(C)nc2s1 c1ccc2c(c1)ncn2[*:1] Cc1cn2c(/C=C/C(=O)NCCC[*:1])c(C)nc2s1
NC(=O)CCC(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 c1cncc(c1)[*:1] NC(=O)CCC(=O)N1CCC2(CCC(=O)N(CC[*:1])C2)CC1
NC(=O)CCC(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 NC(=O)[*:1] O=C(CC[*:1])N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1
NC(=O)CCC(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 NC(=O)CC[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1CCc1cccnc1
NC(=O)CCC(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 c1cncc(c1)C[*:1] NC(=O)CCC(=O)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
NC(=O)CCC(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 c1cncc(c1)CC[*:1] NC(=O)CCC(=O)N1CCC2(CCC(=O)N(C2)[*:1])CC1
NC(=O)CCC(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 NC(=O)C[*:1] O=C(C[*:1])N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1
COc1ccc(C[NH+]2CCC(c3nncn3C)CC2)cc1OCC(C)C CC(C)C[*:1] COc1ccc(cc1O[*:1])C[NH+]1CCC(CC1)c1nncn1C
COc1ccc(C[NH+]2CCC(c3nncn3C)CC2)cc1OCC(C)C CC(C)[*:1] COc1ccc(cc1OC[*:1])C[NH+]1CCC(CC1)c1nncn1C
COc1ccc(C[NH+]2CCC(c3nncn3C)CC2)cc1OCC(C)C CC(C)CO[*:1] COc1ccc(cc1[*:1])C[NH+]1CCC(CC1)c1nncn1C
COc1ccc(C[NH+]2CCC(c3nncn3C)CC2)cc1OCC(C)C Cn1cnnc1[*:1] COc1ccc(cc1OCC(C)C)C[NH+]1CCC(CC1)[*:1]
CN1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccccc2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccccc2)[C@H]1[*:1]
CN1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccccc2)[C@@H]1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)C(=O)N[*:1])[C@@H]1c1ccc(Cl)cc1
Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)/C=C/c1ccc(o1)-c1ccccc1[*:1])-c1nn2c(C)nnc2s1
Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 O=[N+]([O-])c1ccccc1[*:1] Cc1cc(ccc1NC(=O)/C=C/c1ccc(o1)[*:1])-c1nn2c(C)nnc2s1
Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 Cc1nnc2sc(nn12)[*:1] Cc1cc(ccc1NC(=O)/C=C/c1ccc(o1)-c1ccccc1[N+](=O)[O-])[*:1]
Cc1cc(NCCCN2CCCC2=O)nc(-c2ccccc2O)n1 Oc1ccccc1[*:1] Cc1cc(nc(n1)[*:1])NCCCN1CCCC1=O
Cc1cc(NCCCN2CCCC2=O)nc(-c2ccccc2O)n1 O=C1CCCN1C[*:1] Cc1cc(nc(n1)-c1ccccc1O)NCC[*:1]
Cc1cc(NCCCN2CCCC2=O)nc(-c2ccccc2O)n1 O=C1CCCN1[*:1] Cc1cc(nc(n1)-c1ccccc1O)NCCC[*:1]
Cc1cc(NCCCN2CCCC2=O)nc(-c2ccccc2O)n1 O=C1CCCN1CC[*:1] Cc1cc(nc(n1)-c1ccccc1O)NC[*:1]
CCCc1nnc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)s1 CCC[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(s1)-c1ccc(F)cc1
CCCc1nnc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)s1 Fc1ccc(cc1)[*:1] CCCc1nnc(NC(=O)c2ccc(s2)[*:1])s1
O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(c1)O[*:1]
O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(c1)[*:1]
O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(c1)OC[*:1]
CC[C@H](C)[C@@H](C)NC(=O)c1ccncc1/C=C/C(=O)[O-] CC[C@H](C)[*:1] C[C@@H](NC(=O)c1ccncc1/C=C/C(=O)[O-])[*:1]
CC[C@H](C)[C@@H](C)NC(=O)c1ccncc1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] CC[C@H](C)[C@@H](C)NC(=O)c1ccncc1[*:1]
CC[C@H](C)[C@@H](C)NC(=O)c1ccncc1/C=C/C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@@H](C)NC(=O)c1ccncc1C=C[*:1]
CC[C@H](C)[C@@H](C)NC(=O)c1ccncc1/C=C/C(=O)[O-] CC[C@H](C)[C@@H](C)[*:1] O=C([O-])/C=C/c1cnccc1C(=O)N[*:1]
Nc1nc(N2CC[C@@H](OCCCc3ccccc3)C2)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(ncc1[*:1])N1CC[C@H](C1)OCCCc1ccccc1
Nc1nc(N2CC[C@@H](OCCCc3ccccc3)C2)ncc1[N+](=O)[O-] c1ccc(cc1)CC[*:1] Nc1nc(ncc1[N+](=O)[O-])N1CC[C@H](C1)OC[*:1]
Nc1nc(N2CC[C@@H](OCCCc3ccccc3)C2)ncc1[N+](=O)[O-] c1ccc(cc1)C[*:1] Nc1nc(ncc1[N+](=O)[O-])N1CC[C@H](C1)OCC[*:1]
Nc1nc(N2CC[C@@H](OCCCc3ccccc3)C2)ncc1[N+](=O)[O-] c1ccc(cc1)[*:1] Nc1nc(ncc1[N+](=O)[O-])N1CC[C@H](C1)OCCC[*:1]
CCCO/C([O-])=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1OC CCCO[*:1] COc1cccc(c1OC)[C@H]1C2C(=O)CCCC=2N=C(C)C1=C([O-])[*:1]
CCCO/C([O-])=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1OC CCC[*:1] COc1cccc(c1OC)[C@H]1C2C(=O)CCCC=2N=C(C)/C1=C(\[O-])O[*:1]
COc1ccc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)cc1 COc1ccc(cc1)[*:1] O=C(c1cc2CCCc2[nH]c1=O)N1CCC[C@@H]1[*:1]
O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)CCN1CCCC1=O c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCc2ccccc2N1C(=O)CCN1CCCC1=O
O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)CCN1CCCC1=O O=C1CCCN1[*:1] O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)CC[*:1]
O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)CCN1CCCC1=O O=C(Nc1ccccc1)[*:1] O=C1CCCN1CCC(=O)N1c2ccccc2CC[C@@H]1[*:1]
O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)CCN1CCCC1=O O=C1CCCN1C[*:1] O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)C[*:1]
O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)CCN1CCCC1=O O=C1CCCN1CC[*:1] O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)[*:1]
CCCc1cc(C(=O)NCc2cnn3ccccc23)ccn1 CCC[*:1] O=C(NCc1cnn2ccccc12)c1ccnc(c1)[*:1]
CCCC(=O)N1CCC(C(=O)Nc2cccc(Cl)c2C(N)=O)CC1 NC(=O)[*:1] CCCC(=O)N1CCC(CC1)C(=O)Nc1cccc(Cl)c1[*:1]
CCCC(=O)N1CCC(C(=O)Nc2cccc(Cl)c2C(N)=O)CC1 CCC[*:1] NC(=O)c1c(Cl)cccc1NC(=O)C1CCN(CC1)C(=O)[*:1]
CCO[C@@H]1C[C@H](N/C(NCc2ncnn2C)=[NH+]\C)C12CCCCC2 CCO[*:1] C/[NH+]=C(/NCc1ncnn1C)N[C@H]1C[C@H](C12CCCCC2)[*:1]
CCO[C@@H]1C[C@H](N/C(NCc2ncnn2C)=[NH+]\C)C12CCCCC2 Cn1ncnc1C[*:1] CCO[C@@H]1C[C@H](N/C(N[*:1])=[NH+]\C)C12CCCCC2
CCO[C@@H]1C[C@H](N/C(NCc2ncnn2C)=[NH+]\C)C12CCCCC2 Cn1ncnc1[*:1] CCO[C@@H]1C[C@H](N/C(NC[*:1])=[NH+]\C)C12CCCCC2
O=C([O-])c1ccc(Cl)nc1NC[C@@H]1CN2CCC[C@@H]2CO1 O=C([O-])[*:1] Clc1ccc(c(n1)NC[C@@H]1CN2CCC[C@@H]2CO1)[*:1]
CC(C)[C@@H](NC(=O)Nc1cc(C(C)(C)C)on1)c1nnc2ccccn12 CC(C)[*:1] CC(C)(C)c1cc(no1)NC(=O)N[C@@H](c1nnc2ccccn12)[*:1]
CC(C)[C@@H](NC(=O)Nc1cc(C(C)(C)C)on1)c1nnc2ccccn12 CC(C)(C)[*:1] CC(C)[C@@H](NC(=O)Nc1cc(on1)[*:1])c1nnc2ccccn12
C#CC[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 C#CC[*:1] Cc1ccc(Cl)cc1N1C[C@@H](CC1=O)C(=O)O[C@@H](C)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CC[NH+](CC1)C[C@H]1C[C@@H]2C=C[C@H]1C2
CC1C[NH+](CCC[NH2+]C2CC2)C1 C1CC1[*:1] CC1C[NH+](CCC[NH2+][*:1])C1
CC1C[NH+](CCC[NH2+]C2CC2)C1 C1CC1[NH2+][*:1] CC1C[NH+](CCC[*:1])C1
O=C(Cn1nc([N+](=O)[O-])nc1Br)N1CCCCC1 O=[N+]([O-])[*:1] O=C(Cn1nc(nc1Br)[*:1])N1CCCCC1
C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(-n2cccn2)n1 c1cnn(c1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(n1)[*:1]
Cc1c(CNC(=O)c2cc(=O)c3ccccc3o2)sc2nc(-c3cccs3)cn12 c1csc(c1)[*:1] Cc1c(CNC(=O)c2cc(=O)c3ccccc3o2)sc2nc(cn12)[*:1]
C[C@H](NC(=O)Nc1nc2c(s1)COCC2)[C@@H](C)CO C[C@@H](CO)[*:1] C[C@H](NC(=O)Nc1nc2CCOCc2s1)[*:1]
O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CC=C(CC1)[*:1]
O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(CS(=O)(=O)[*:1])o1)N1CC=C(CC1)c1ccccc1
O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CC=C(c2ccccc2)CC1 O=S(=O)(c1ccccc1)[*:1] O=C(c1ccc(C[*:1])o1)N1CC=C(CC1)c1ccccc1
Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/SCc2ccco2)c(C)c1 c1coc(c1)CS[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)C=C[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/SCc2ccco2)c(C)c1 c1coc(c1)C[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/S[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/SCc2ccco2)c(C)c1 c1coc(c1)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/SC[*:1])c(C)c1
Nc1ccc[n+]([O-])c1C(=O)[O-] O=C([O-])[*:1] Nc1ccc[n+]([O-])c1[*:1]
C/C=C(\C)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 CC=C(C)[*:1] CCN(C(=O)[*:1])[C@@H](C)c1cc2ccccc2o1
CCCc1cc(NC(=O)C(=O)N[C@@H](CO)c2ccc(Cl)cc2)n(C)n1 Clc1ccc(cc1)[*:1] CCCc1cc(NC(=O)C(=O)N[C@@H](CO)[*:1])n(C)n1
CCCc1cc(NC(=O)C(=O)N[C@@H](CO)c2ccc(Cl)cc2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)C(=O)N[C@@H](CO)c1ccc(Cl)cc1)[*:1]
Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccccc3Cl)cc2)cs1 Clc1ccccc1[*:1] Cc1nc(cs1)-c1ccc(cc1)N[C@@H](C)C(=O)N[*:1]
Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccccc3Cl)cc2)cs1 Cc1nc(cs1)[*:1] C[C@H](Nc1ccc(cc1)[*:1])C(=O)Nc1ccccc1Cl
Cc1ccccc1[C@@H]1N[C@@H](C(=O)[O-])CC2=c3ccccc3=[NH+][C@H]21 Cc1ccccc1[*:1] O=C([O-])[C@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H](N1)[*:1]
Cc1ccccc1[C@@H]1N[C@@H](C(=O)[O-])CC2=c3ccccc3=[NH+][C@H]21 O=C([O-])[*:1] Cc1ccccc1[C@@H]1N[C@@H](CC2=c3ccccc3=[NH+][C@H]21)[*:1]
CCn1cc(CN[C@@H](c2ccc(Cl)cc2)c2noc(C)n2)cn1 CCn1cc(cn1)[*:1] Cc1nc(no1)[C@@H](NC[*:1])c1ccc(Cl)cc1
CCn1cc(CN[C@@H](c2ccc(Cl)cc2)c2noc(C)n2)cn1 Clc1ccc(cc1)[*:1] CCn1cc(cn1)CN[C@@H](c1noc(C)n1)[*:1]
CCn1cc(CN[C@@H](c2ccc(Cl)cc2)c2noc(C)n2)cn1 Cc1nc(no1)[*:1] CCn1cc(cn1)CN[C@@H](c1ccc(Cl)cc1)[*:1]
COC(=O)[C@@]1(N)CC[C@H](Sc2ccc(S(C)(=O)=O)cc2)C1 COC(=O)[*:1] CS(=O)(=O)c1ccc(cc1)S[C@H]1CC[C@](N)(C1)[*:1]
COC(=O)[C@@]1(N)CC[C@H](Sc2ccc(S(C)(=O)=O)cc2)C1 CS(=O)(=O)[*:1] COC(=O)[C@@]1(N)CC[C@@H](C1)Sc1ccc(cc1)[*:1]
CCOc1cccc2sc(NC(=O)c3cc(-c4c(C)nn(CC)c4C)n[nH]3)nc12 CCn1nc(C)c(c1C)[*:1] CCOc1cccc2sc(nc12)NC(=O)c1cc(n[nH]1)[*:1]
CCOc1cccc2sc(NC(=O)c3cc(-c4c(C)nn(CC)c4C)n[nH]3)nc12 CCO[*:1] CCn1nc(C)c(-c2cc([nH]n2)C(=O)Nc2nc3c(cccc3s2)[*:1])c1C
O=C(Nc1nnc(C2CC2)s1)C1(n2cnnn2)CCCCC1 C1CC1[*:1] O=C(Nc1nnc(s1)[*:1])C1(CCCCC1)n1cnnn1
O=C(Nc1nnc(C2CC2)s1)C1(n2cnnn2)CCCCC1 c1nnnn1[*:1] O=C(Nc1nnc(s1)C1CC1)C1(CCCCC1)[*:1]
CCSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CCSc1nnc(N2CCOCC2)n1[*:1]
CCSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 CCS[*:1] C1CO[C@@H](C1)Cn1c(nnc1[*:1])N1CCOCC1
CCSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 C1CN(CCO1)[*:1] CCSc1nnc(n1C[C@@H]1CCCO1)[*:1]
CCSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCSc1nnc(N2CCOCC2)n1C[*:1]
COCC[NH2+]CC(=O)N1CCCCC[C@@H]1C(=O)[O-] COC[*:1] O=C([O-])[C@H]1CCCCCN1C(=O)C[NH2+]C[*:1]
COCC[NH2+]CC(=O)N1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] COCC[NH2+]CC(=O)N1CCCCC[C@H]1[*:1]
COCC[NH2+]CC(=O)N1CCCCC[C@@H]1C(=O)[O-] COCC[*:1] O=C([O-])[C@H]1CCCCCN1C(=O)C[NH2+][*:1]
Cc1cc(N2CCN(C(=O)NCC(C)(C)c3ccncc3)CC2)nc(C(C)C)[nH+]1 c1cc(ccn1)[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)C(=O)NCC(C)(C)[*:1]
Cc1cc(N2CCN(C(=O)NCC(C)(C)c3ccncc3)CC2)nc(C(C)C)[nH+]1 CC(C)(c1ccncc1)[*:1] Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)C(=O)NC[*:1]
Cc1cc(N2CCN(C(=O)NCC(C)(C)c3ccncc3)CC2)nc(C(C)C)[nH+]1 CC(C)[*:1] Cc1cc(nc([nH+]1)[*:1])N1CCN(CC1)C(=O)NCC(C)(C)c1ccncc1
CC(=O)N1CCCc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21 Clc1cccc(c1)[*:1] CC(=O)N1CCCc2cc(ccc21)NS(=O)(=O)[*:1]
CN(CC(=O)[O-])C(=O)N(C)[C@@H]1CCSC1 O=C([O-])C[*:1] CN(C(=O)N(C)[*:1])[C@@H]1CCSC1
CN(CC(=O)[O-])C(=O)N(C)[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] CN(CC(=O)[O-])C(=O)N(C)[*:1]
CN(CC(=O)[O-])C(=O)N(C)[C@@H]1CCSC1 O=C([O-])[*:1] CN(C[*:1])C(=O)N(C)[C@@H]1CCSC1
Cc1cccc(NC(=O)c2cc3c(=O)c4ccccc4oc3o2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])c1cc2c(=O)c3ccccc3oc2o1
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1nnc(C2CC2)s1 C1CC1[*:1] COc1ccc(cc1C(=O)Nc1nnc(s1)[*:1])S(=O)(=O)N1CCc2ccccc21
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1nnc(C2CC2)s1 C1CC1c1nnc(s1)[*:1] COc1ccc(cc1C(=O)N[*:1])S(=O)(=O)N1CCc2ccccc21
O=Cc1cccc(OCCC(=O)NCC(=O)N2CCc3ccccc3C2)c1 O=Cc1cccc(c1)O[*:1] O=C(CC[*:1])NCC(=O)N1CCc2ccccc2C1
O=Cc1cccc(OCCC(=O)NCC(=O)N2CCc3ccccc3C2)c1 O=Cc1cccc(c1)[*:1] O=C(CCO[*:1])NCC(=O)N1CCc2ccccc2C1
CC(C)(C)N(CC(=O)[O-])C(=O)c1cc2ccccc2o1 O=C([O-])[*:1] CC(C)(C)N(C[*:1])C(=O)c1cc2ccccc2o1
CC(C)(C)N(CC(=O)[O-])C(=O)c1cc2ccccc2o1 CC(C)(C)[*:1] O=C([O-])CN(C(=O)c1cc2ccccc2o1)[*:1]
CC(C)(C)N(CC(=O)[O-])C(=O)c1cc2ccccc2o1 O=C([O-])C[*:1] CC(C)(C)N(C(=O)c1cc2ccccc2o1)[*:1]
CCc1nc(C(=O)N2CCNC[C@H]2C(=O)NC)n[nH]1 CNC(=O)[*:1] CCc1nc(n[nH]1)C(=O)N1CCNC[C@@H]1[*:1]
COc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Oc1ccccc1-c1cc(nc(n1)NN=C[*:1])-c1ccccc1
COc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(/C=N/Nc2nc(cc(n2)[*:1])-c2ccccc2O)c(c1)OC
COc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)c(OC)c1 Oc1ccccc1[*:1] COc1ccc(/C=N/Nc2nc(cc(n2)[*:1])-c2ccccc2)c(c1)OC
COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1OC COc1ccc(cc1OC)[*:1] N#CC1=C(N)OC2C[C@H](CC(=O)C=2[C@@H]1c1ccc(Cl)cc1)[*:1]
COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2[*:1]
CCCNC(=O)[C@H](C)N1CCCN(CCC[NH3+])CC1 [NH3+]CCC[*:1] CCCNC(=O)[C@H](C)N1CCCN(CC1)[*:1]
CCCNC(=O)[C@H](C)N1CCCN(CCC[NH3+])CC1 CCC[*:1] C[C@@H](C(=O)N[*:1])N1CCCN(CCC[NH3+])CC1
CCCNC(=O)[C@H](C)N1CCCN(CCC[NH3+])CC1 [NH3+]CC[*:1] CCCNC(=O)[C@H](C)N1CCCN(CC1)C[*:1]
CCCNC(=O)[C@H](C)N1CCCN(CCC[NH3+])CC1 CCCNC(=O)[*:1] C[C@H](N1CCCN(CCC[NH3+])CC1)[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CO)C(=O)[O-] O=C([O-])[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CO)[*:1]
CC(C)CCOc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1 CC(C)CC[*:1] C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(c1)O[*:1]
CC(C)CCOc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1 CC(C)CCO[*:1] C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
CC(C)CCOc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1 CC(C)C[*:1] C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(c1)OC[*:1]
CC(C)CCOc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1 CC(C)[*:1] C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(c1)OCC[*:1]
COC[C@H](NC(=O)[C@@]1(C)CCCc2ccccc21)C(N)=O COC[C@H](C(N)=O)[*:1] C[C@@]1(CCCc2ccccc21)C(=O)N[*:1]
COC[C@H](NC(=O)[C@@]1(C)CCCc2ccccc21)C(N)=O COC[*:1] C[C@@]1(CCCc2ccccc21)C(=O)N[C@H](C(N)=O)[*:1]
COC[C@H](NC(=O)[C@@]1(C)CCCc2ccccc21)C(N)=O NC(=O)[*:1] COC[C@H](NC(=O)[C@@]1(C)CCCc2ccccc21)[*:1]
CC1=NN(C(=O)C2c3ccccc3Oc3ccccc32)[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CC1C[C@](O)(N(N=1)C(=O)C1c2ccccc2Oc2ccccc21)[*:1]
COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)cc1 Cc1occc1[*:1] COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)[*:1]
COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)cc1 COC(=O)[*:1] Cc1occc1-c1nnc(SCC(=O)Nc2ccc(cc2)[*:1])n1C
COC(=O)[C@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cc(F)c(Cl)cc1Cl
COC(=O)N1CCC([NH2+][C@@H](c2cc(C)sc2C)C(C)C)CC1 Cc1cc(c(C)s1)[*:1] COC(=O)N1CCC(CC1)[NH2+][C@@H](C(C)C)[*:1]
COC(=O)N1CCC([NH2+][C@@H](c2cc(C)sc2C)C(C)C)CC1 CC(C)[*:1] COC(=O)N1CCC(CC1)[NH2+][C@@H](c1cc(C)sc1C)[*:1]
O=C(NCCCn1cc[nH+]c1)N1CCC[C@H]1c1ccsc1 c1cc(cs1)[*:1] O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H]1[*:1]
CCN(Cc1ccco1)C(=O)NC[C@H](C)Cn1nc(C)cc1C c1coc(c1)C[*:1] CCN(C(=O)NC[C@H](C)Cn1nc(C)cc1C)[*:1]
CCN(Cc1ccco1)C(=O)NC[C@H](C)Cn1nc(C)cc1C c1coc(c1)[*:1] CCN(C[*:1])C(=O)NC[C@H](C)Cn1nc(C)cc1C
CCN(Cc1ccco1)C(=O)NC[C@H](C)Cn1nc(C)cc1C Cc1cc(C)n(n1)[*:1] CCN(Cc1ccco1)C(=O)NC[C@H](C)C[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2cncnc2)cc1 c1ncc(cn1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccccc1[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2cncnc2)cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1-c1cncnc1
COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)c1 COC(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])[C@H]1C[C@@H]1c1ccccc1F
COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)c1 Fc1ccccc1[*:1] COC(=O)c1ccc(Cl)c(c1)NC(=O)[C@H]1C[C@H]1[*:1]
COc1cccc(C(=O)N2CCN(C(=O)N[C@@H](C)CCC(C)C)CC2)c1 CC(C)C[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
COc1cccc(C(=O)N2CCN(C(=O)N[C@@H](C)CCC(C)C)CC2)c1 COc1cccc(c1)[*:1] CC(C)CC[C@H](C)NC(=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)N[C@@H](C)CCC(C)C)CC2)c1 CC(C)CC[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)N[C@@H](C)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)N[C@@H](C)CCC(C)C)CC2)c1 CC(C)[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)N[C@@H](C)CC[*:1]
CCC[C@@H]1CC[C@@H](O)[C@H](Cc2cscn2)C1 CCC[*:1] O[C@@H]1CC[C@H](C[C@H]1Cc1cscn1)[*:1]
CCC[C@@H]1CC[C@@H](O)[C@H](Cc2cscn2)C1 c1nc(cs1)[*:1] CCC[C@@H]1CC[C@@H](O)[C@@H](C1)C[*:1]
CCCCOc1cccc(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)c1 CCCCO[*:1] C[C@@H]1CCC[C@H]([NH2+]1)C(=O)Nc1cccc(c1)[*:1]
CCCCOc1cccc(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)c1 CCC[*:1] C[C@@H]1CCC[C@H]([NH2+]1)C(=O)Nc1cccc(c1)OC[*:1]
CCCCOc1cccc(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)c1 CCCC[*:1] C[C@@H]1CCC[C@H]([NH2+]1)C(=O)Nc1cccc(c1)O[*:1]
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 COCC[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)O[*:1])c1ccccc1
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 COC[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)OC[*:1])c1ccccc1
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 COCCOC(=O)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1[*:1])c1ccccc1
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COCCOC(=O)C1=C(C)NC2CCCC(=O)C=2[C@H]1[*:1]
Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)c2)n1 Cc1csc(n1)N[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1C(=O)CCc1nnc(o1)C(C)C)[*:1]
Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)c2)n1 CC(C)c1nnc(C[*:1])o1 Cc1csc(n1)Nc1cc(C)[nH+]c(c1)[C@@H]1CCCN1C(=O)C[*:1]
Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)c2)n1 CC(C)c1nnc(o1)[*:1] Cc1csc(n1)Nc1cc(C)[nH+]c(c1)[C@@H]1CCCN1C(=O)CC[*:1]
Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)c2)n1 Cc1csc(n1)[*:1] Cc1cc(cc([nH+]1)[C@@H]1CCCN1C(=O)CCc1nnc(o1)C(C)C)N[*:1]
Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)c2)n1 CC(C)[*:1] Cc1csc(n1)Nc1cc(C)[nH+]c(c1)[C@@H]1CCCN1C(=O)CCc1nnc(o1)[*:1]
Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)c2)n1 CC(C)c1nnc(CC[*:1])o1 Cc1csc(n1)Nc1cc(C)[nH+]c(c1)[C@@H]1CCCN1C(=O)[*:1]
CCCOc1cc(O[C@H]2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] CCC[*:1] [NH3+][C@@H]1CC[C@@H](C1)Oc1ccc(c(c1)O[*:1])[N+](=O)[O-]
CCCOc1cc(O[C@H]2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] CCCO[*:1] [NH3+][C@@H]1CC[C@@H](C1)Oc1ccc(c(c1)[*:1])[N+](=O)[O-]
CCCOc1cc(O[C@H]2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCOc1cc(ccc1[*:1])O[C@H]1CC[C@@H]([NH3+])C1
O=C(c1ccco1)N1CCN(c2ncc(Cl)cc2F)CC1 c1coc(c1)[*:1] O=C(N1CCN(CC1)c1ncc(Cl)cc1F)[*:1]
CCc1nc(CN(C)c2nnc(Cl)cc2C(N)=O)cs1 NC(=O)[*:1] CCc1nc(cs1)CN(C)c1nnc(Cl)cc1[*:1]
CCc1ncc(S(=O)(=O)N2CCCCC[C@H]2CC(C)=O)[nH]1 CC(=O)[*:1] CCc1ncc([nH]1)S(=O)(=O)N1CCCCC[C@H]1C[*:1]
CCc1ncc(S(=O)(=O)N2CCCCC[C@H]2CC(C)=O)[nH]1 CC(=O)C[*:1] CCc1ncc([nH]1)S(=O)(=O)N1CCCCC[C@@H]1[*:1]
CCc1ncc(S(=O)(=O)N2CCCCC[C@H]2CC(C)=O)[nH]1 CCc1ncc([nH]1)[*:1] CC(=O)C[C@@H]1CCCCCN1S(=O)(=O)[*:1]
CC(=O)N1CCCN(C(=O)N[C@@H](C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCCN(CC1)C(=O)N[C@@H](C)[*:1]
Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 Cc1ccc(Br)cc1[*:1] C[C@H](NS(=O)(=O)[*:1])c1ccc(cc1)-n1ccnc1
Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(cc1)[*:1]
C[C@](NC(=O)c1ccccc1SCC#N)(C(=O)[O-])C1CC1 N#CCS[*:1] C[C@](NC(=O)c1ccccc1[*:1])(C(=O)[O-])C1CC1
C[C@](NC(=O)c1ccccc1SCC#N)(C(=O)[O-])C1CC1 O=C([O-])[*:1] C[C@](NC(=O)c1ccccc1SCC#N)(C1CC1)[*:1]
C[C@](NC(=O)c1ccccc1SCC#N)(C(=O)[O-])C1CC1 N#CC[*:1] C[C@](NC(=O)c1ccccc1S[*:1])(C(=O)[O-])C1CC1
C[C@](NC(=O)c1ccccc1SCC#N)(C(=O)[O-])C1CC1 C1CC1[*:1] C[C@](NC(=O)c1ccccc1SCC#N)(C(=O)[O-])[*:1]
COC(=O)CC(=O)N1CCC(Cc2ccc(F)cc2)CC1 COC(=O)C[*:1] O=C(N1CCC(CC1)Cc1ccc(F)cc1)[*:1]
COC(=O)CC(=O)N1CCC(Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COC(=O)CC(=O)N1CCC(CC1)C[*:1]
COC(=O)CC(=O)N1CCC(Cc2ccc(F)cc2)CC1 COC(=O)[*:1] O=C(C[*:1])N1CCC(CC1)Cc1ccc(F)cc1
CN(Cc1ccccn1)c1nc[nH+]c2nc(N)ccc12 c1ccc(nc1)[*:1] CN(C[*:1])c1nc[nH+]c2nc(N)ccc12
CCc1ccccc1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O CCc1ccccc1[*:1] O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)N[*:1]
CCc1ccccc1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CCc1ccccc1NC(=O)CN1C(=O)N[C@@H](C1=O)[*:1]
CCc1ccccc1NC(=O)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)CN1C(=O)N[C@@H](C[*:1])C1=O
CC(=O)Nc1ccc(C2=NN=C(Nc3ccc(Cl)cc3)SC2)cc1 CC(=O)N[*:1] Clc1ccc(cc1)NC1=NN=C(CS1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C2=NN=C(Nc3ccc(Cl)cc3)SC2)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C1CSC(=NN=1)N[*:1]
O=C(NCCc1nnc2n1CCC2)N[C@@H]1CCSc2ccc(F)cc21 C1Cc2nnc(n2C1)[*:1] O=C(NCC[*:1])N[C@@H]1CCSc2ccc(F)cc21
C[C@H](C(=O)N1CCC[C@H]1C1CCCC1)c1cccs1 C1CCC(C1)[*:1] C[C@H](C(=O)N1CCC[C@@H]1[*:1])c1cccs1
C[C@H](C(=O)N1CCC[C@H]1C1CCCC1)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)N1CCC[C@H]1C1CCCC1)[*:1]
CC[C@H](NC(=O)c1ccc(-c2ccc(OC)cc2F)cc1F)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)c1ccc(cc1F)-c1ccc(cc1F)OC)[*:1]
Cc1[nH]c(C(=O)N(C[C@@H]2CCCCO2)C(C)C)c(C)c1C(=O)OC(C)C C1CC[C@@H](C[*:1])OC1 Cc1[nH]c(C(=O)N(C(C)C)[*:1])c(C)c1C(=O)OC(C)C
Cc1[nH]c(C(=O)N(C[C@@H]2CCCCO2)C(C)C)c(C)c1C(=O)OC(C)C CC(C)OC(=O)[*:1] Cc1[nH]c(C(=O)N(C[C@@H]2CCCCO2)C(C)C)c(C)c1[*:1]
Cc1[nH]c(C(=O)N(C[C@@H]2CCCCO2)C(C)C)c(C)c1C(=O)OC(C)C CC(C)[*:1] Cc1[nH]c(C(=O)N(C[C@@H]2CCCCO2)C(C)C)c(C)c1C(=O)O[*:1]
Cc1[nH]c(C(=O)N(C[C@@H]2CCCCO2)C(C)C)c(C)c1C(=O)OC(C)C C1CC[C@H](OC1)[*:1] Cc1[nH]c(C(=O)N(C[*:1])C(C)C)c(C)c1C(=O)OC(C)C
Cc1[nH]c(C(=O)N(C[C@@H]2CCCCO2)C(C)C)c(C)c1C(=O)OC(C)C CC(C)[*:1] Cc1[nH]c(C(=O)N(C[C@@H]2CCCCO2)[*:1])c(C)c1C(=O)OC(C)C
Cc1ncsc1C(=O)NNC(=O)NC[C@H]1C[C@]12CCc1ccccc12 Cc1ncsc1[*:1] O=C(NC[C@H]1C[C@]12CCc1ccccc12)NNC(=O)[*:1]
Cn1nnnc1-c1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 Cn1nnnc1[*:1] CS(=O)(=O)N1CCc2cc(ccc21)C(=O)Nc1cccc(c1)[*:1]
O=S(=O)(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=S(=O)(c1ccc(CNS(=O)(=O)[*:1])s1)N1CCCC1
O=S(=O)(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1cc(Cl)ccc1Cl O=S(=O)(N1CCCC1)[*:1] O=S(=O)(NCc1ccc(s1)[*:1])c1cc(Cl)ccc1Cl
CCc1cccc(C)c1NC(=O)[C@@H](C)N(C)CC#N CN(CC#N)[*:1] CCc1cccc(C)c1NC(=O)[C@@H](C)[*:1]
CCc1cccc(C)c1NC(=O)[C@@H](C)N(C)CC#N N#CC[*:1] CCc1cccc(C)c1NC(=O)[C@@H](C)N(C)[*:1]
CC(C)c1[nH+]ccn1CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 CC(C)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)N1CCN(CC1)CCn1cc[nH+]c1[*:1]
CC(C)c1[nH+]ccn1CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 O=S(=O)(N1CCCC1)[*:1] CC(C)c1[nH+]ccn1CCN1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
C[NH2+][C@@H](c1cc(F)ccc1F)[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] C[NH2+][C@@H](c1cc(F)ccc1F)[C@@H](C)[*:1]
COc1ccc(-c2cnc(-c3cc[n+](CCCN=C=S)cc3)o2)cc1 S=C=NC[*:1] COc1ccc(cc1)-c1cnc(o1)-c1cc[n+](cc1)CC[*:1]
COc1ccc(-c2cnc(-c3cc[n+](CCCN=C=S)cc3)o2)cc1 COc1ccc(cc1)[*:1] S=C=NCCC[n+]1ccc(cc1)-c1ncc(o1)[*:1]
COc1ccc(-c2cnc(-c3cc[n+](CCCN=C=S)cc3)o2)cc1 S=C=N[*:1] COc1ccc(cc1)-c1cnc(o1)-c1cc[n+](cc1)CCC[*:1]
CN1C(=O)C[C@H](NC(=O)N[C@@H]2CCOc3ccccc32)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)N[C@@H]2CCOc3ccccc32)[C@@H]1[*:1]
Cc1ccc([C@@H](C)NCCc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@@H](C)NCCc1nc(cs1)-c1ccccn1
Cc1ccc([C@@H](C)NCCc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-] c1ccc(nc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@@H](C)NCCc1nc(cs1)[*:1]
COC(=O)NCCCC(=O)[C@H](C#N)c1ccc(F)cn1 COC(=O)NC[*:1] N#C[C@@H](C(=O)CC[*:1])c1ccc(F)cn1
COC(=O)NCCCC(=O)[C@H](C#N)c1ccc(F)cn1 COC(=O)N[*:1] N#C[C@@H](C(=O)CCC[*:1])c1ccc(F)cn1
[O-]c1nc(C(Cl)(Cl)Cl)nc2c1cnn2-c1ccccc1 c1ccc(cc1)[*:1] [O-]c1nc(nc2c1cnn2[*:1])C(Cl)(Cl)Cl
[O-]c1nc(C(Cl)(Cl)Cl)nc2c1cnn2-c1ccccc1 ClC(Cl)(Cl)[*:1] [O-]c1nc(nc2c1cnn2-c1ccccc1)[*:1]
CN1C=CC2=NN(C)[C@@H](SCc3ccccc3)C2=C1 c1ccc(cc1)[*:1] CN1C=CC2=NN(C)[C@@H](SC[*:1])C2=C1
Cc1nn(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c(C)c1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1nn(CC(=O)N2N=C(C[C@H]2c2cccs2)c2cccs2)c(C)c1[*:1]
Cc1nn(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c(C)c1S(=O)(=O)N(C)C c1csc(c1)[*:1] Cc1nn(CC(=O)N2N=C(C[C@H]2c2cccs2)[*:1])c(C)c1S(=O)(=O)N(C)C
Cc1nn(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c(C)c1S(=O)(=O)N(C)C c1csc(c1)[*:1] Cc1nn(CC(=O)N2N=C(C[C@@H]2[*:1])c2cccs2)c(C)c1S(=O)(=O)N(C)C
CCC[NH2+][C@@H](Cc1ccc(CC)cc1)[C@]1(C)CCCO1 CCC[*:1] CCc1ccc(cc1)C[C@H]([NH2+][*:1])[C@]1(C)CCCO1
Cc1ccc(-c2noc3ncnc(N4CCC(C(=O)NC(C)C)CC4)c23)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1noc2ncnc(c12)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(-c2noc3ncnc(N4CCC(C(=O)NC(C)C)CC4)c23)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)-c1noc2ncnc(c12)N1CCC(CC1)[*:1]
Cc1ccc(-c2noc3ncnc(N4CCC(C(=O)NC(C)C)CC4)c23)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)C1CCN(CC1)c1ncnc2onc(c12)[*:1]
CCOC(=O)c1cn(-c2ccc(F)cc2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O Fc1ccc(cc1)[*:1] CCOC(=O)c1cn(c2cc(Cl)c(cc2c1=O)[N+](=O)[O-])[*:1]
CCOC(=O)c1cn(-c2ccc(F)cc2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O O=[N+]([O-])[*:1] CCOC(=O)c1cn(-c2ccc(F)cc2)c2cc(Cl)c(cc2c1=O)[*:1]
CCOC(=O)c1cn(-c2ccc(F)cc2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O CCOC(=O)[*:1] O=c1c(cn(-c2ccc(F)cc2)c2cc(Cl)c(cc12)[N+](=O)[O-])[*:1]
N#Cc1ccc(F)c(CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1ccc(F)c(c1)CNC(=O)[C@H]1C[C@H]1[*:1]
NC(=O)COc1ccc(C[NH2+]Cc2ccon2)cc1 NC(=O)C[*:1] c1cc(C[NH2+]Cc2ccc(cc2)O[*:1])no1
NC(=O)COc1ccc(C[NH2+]Cc2ccon2)cc1 NC(=O)CO[*:1] c1cc(C[NH2+]Cc2ccc(cc2)[*:1])no1
NC(=O)COc1ccc(C[NH2+]Cc2ccon2)cc1 c1cc(no1)[*:1] NC(=O)COc1ccc(cc1)C[NH2+]C[*:1]
NC(=O)COc1ccc(C[NH2+]Cc2ccon2)cc1 NC(=O)[*:1] c1cc(C[NH2+]Cc2ccc(cc2)OC[*:1])no1
CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 c1ccc2oc(nc2c1)[*:1] CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(c1)[*:1]
CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 CCS(=O)(=O)[*:1] O=C(Nc1cccc(c1)-c1nc2ccccc2o1)c1ccccc1[*:1]
C[C@H]1C[C@@H](C)CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ncon2)C1 Clc1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CCN(C1)C(=O)N[C@@H](c1ncon1)[*:1]
C[C@H]1C[C@@H](C)CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ncon2)C1 c1nc(no1)[*:1] C[C@H]1C[C@@H](C)CCN(C1)C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCn1c(=O)[nH]c2ccccc21 Fc1ccc(cc1)[*:1] C[C@H](CC(=O)N[*:1])[NH2+]CCn1c(=O)[nH]c2ccccc21
CC(C)c1cc(C(=O)Oc2ccccc2Cl)on1 CC(C)[*:1] O=C(Oc1ccccc1Cl)c1cc(no1)[*:1]
Cc1ccc(OCc2nc3ccccc3n2C[C@H]2CCCO2)c(C)c1 Cc1ccc(c(C)c1)[*:1] c1ccc2c(c1)nc(CO[*:1])n2C[C@H]1CCCO1
CC(C)[NH2+]Cc1cnn(Cc2ccc(Cl)cc2)c1C1CC1 CC(C)[*:1] Clc1ccc(cc1)Cn1ncc(C[NH2+][*:1])c1C1CC1
CC(C)[NH2+]Cc1cnn(Cc2ccc(Cl)cc2)c1C1CC1 Clc1ccc(cc1)[*:1] CC(C)[NH2+]Cc1cnn(C[*:1])c1C1CC1
CC(C)[NH2+]Cc1cnn(Cc2ccc(Cl)cc2)c1C1CC1 C1CC1[*:1] CC(C)[NH2+]Cc1cnn(Cc2ccc(Cl)cc2)c1[*:1]
CCCCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(OC)cc2)C1=O COc1ccc(cc1)[*:1] CCCCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@H]2[*:1])C1=O
CCCCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(OC)cc2)C1=O CCCCC[*:1] COc1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)C[*:1]
CCCCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(OC)cc2)C1=O CCCC[*:1] COc1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC[*:1])CC(=O)N21
CCCCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(OC)cc2)C1=O CCCCCC[*:1] COc1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
CCCCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(OC)cc2)C1=O CCC[*:1] COc1ccc(cc1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CCC[*:1])CC(=O)N21
CC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1cccs1 Clc1ccccc1[*:1] CC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1cccs1)SC[*:1]
CC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1cccs1 Clc1ccccc1CS[*:1] CC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1cccs1)[*:1]
CC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1cccs1 CC(=O)[*:1] CC1Nc2nc(nn2[C@@H](C=1[*:1])c1cccs1)SCc1ccccc1Cl
CC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1cccs1 c1csc(c1)[*:1] CC(=O)C1=C(C)Nc2nc(nn2[C@H]1[*:1])SCc1ccccc1Cl
CC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1cccs1 Clc1ccccc1C[*:1] CC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1cccs1)S[*:1]
CCN(C(=O)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1)c1ccccc1 Fc1ccc(cc1)[*:1] CCN(C(=O)[C@H]1CCCN(C1)c1ccc(nn1)[*:1])c1ccccc1
CCN(C(=O)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@H]1CCCN(C1)c1ccc(nn1)-c1ccc(F)cc1)[*:1]
CC(C)CO[C@H](C)c1noc(CN(C)c2ccc(F)c(F)c2)n1 CC(C)C[*:1] C[C@@H](O[*:1])c1noc(CN(C)c2ccc(F)c(F)c2)n1
CC(C)CO[C@H](C)c1noc(CN(C)c2ccc(F)c(F)c2)n1 CC(C)CO[*:1] C[C@H](c1noc(CN(C)c2ccc(F)c(F)c2)n1)[*:1]
CC(C)CO[C@H](C)c1noc(CN(C)c2ccc(F)c(F)c2)n1 CC(C)[*:1] C[C@@H](OC[*:1])c1noc(CN(C)c2ccc(F)c(F)c2)n1
CC(C)CO[C@H](C)c1noc(CN(C)c2ccc(F)c(F)c2)n1 CC(C)CO[C@H](C)[*:1] CN(Cc1nc(no1)[*:1])c1ccc(F)c(F)c1
C[C@@H](c1ccco1)N(C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 C[C@H](C#N)CS[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1ccccc1[*:1])C1CC1
C[C@@H](c1ccco1)N(C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C(=O)Nc1ccccc1SC[C@H](C)C#N)[*:1]
C[C@@H](c1ccco1)N(C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 C[C@@H](c1ccco1)[*:1] C[C@H](C#N)CSc1ccccc1NC(=O)N(C1CC1)[*:1]
C[C@@H](c1ccco1)N(C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cnc(cn1)-c1nc(no1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 Cc1cnc(cn1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1noc(n1)[*:1]
Cc1ccc(-c2ncc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)s2)o1 Cc1ccc(o1)[*:1] c1nc(sc1CN1CC[C@H](C1)C[NH+]1CCCCC1)[*:1]
CCC[NH2+][C@]1(CO)CC[C@H](Sc2ccccc2F)C1 CCC[*:1] OC[C@]1(CC[C@@H](C1)Sc1ccccc1F)[NH2+][*:1]
c1cnc(NCc2cccnc2-n2cncn2)nc1 c1ncn(n1)[*:1] c1cnc(nc1)NCc1cccnc1[*:1]
c1cnc(NCc2cccnc2-n2cncn2)nc1 c1cnc(nc1)[*:1] c1cnc(c(c1)CN[*:1])-n1cncn1
NC(=O)COc1cccc(CNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 NC(=O)CO[*:1] O=C(NCc1cccc(c1)[*:1])[C@H]1CCCC[C@H]1C(F)(F)F
NC(=O)COc1cccc(CNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 FC(F)(F)[*:1] NC(=O)COc1cccc(c1)CNC(=O)[C@H]1CCCC[C@@H]1[*:1]
NC(=O)COc1cccc(CNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 NC(=O)[*:1] O=C(NCc1cccc(c1)OC[*:1])[C@H]1CCCC[C@H]1C(F)(F)F
NC(=O)COc1cccc(CNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 NC(=O)C[*:1] O=C(NCc1cccc(c1)O[*:1])[C@H]1CCCC[C@H]1C(F)(F)F
COC(C)(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 COC(C)(C)C[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)-n1cncn1)[*:1]
COC(C)(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] COC(C)(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
COC(C)(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(-n2cncn2)cc1 COC(C)(C)[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc(cc1)-n1cncn1
C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(Oc3ccccc3)cc2)C1=O c1ccc(cc1)[*:1] C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(C1=O)c1ccc(cc1)O[*:1]
C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(Oc3ccccc3)cc2)C1=O c1ccc(cc1)O[*:1] C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(C1=O)c1ccc(cc1)[*:1]
COc1ccc(C)cc1N1C[C@H](C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1=O COc1ccc(C)cc1[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC[C@@H]2CCCC[C@@H]21
Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c(C)o2)cc1 c1ccc(C[*:1])nc1 Cc1ccc(cc1)-c1cc(C(=O)N[*:1])c(C)o1
Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c(C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1oc(cc1C(=O)NCc1ccccn1)[*:1]
Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c(C)o2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)-c1cc(C(=O)NC[*:1])c(C)o1
CC(C)CNC(=O)Cc1ccc(NC(=O)c2cc3c(s2)S(=O)(=O)CC3)cc1 CC(C)CNC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cc2CCS(=O)(=O)c2s1
CC(C)CNC(=O)Cc1ccc(NC(=O)c2cc3c(s2)S(=O)(=O)CC3)cc1 CC(C)CNC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc2CCS(=O)(=O)c2s1
CC(C)CNC(=O)Cc1ccc(NC(=O)c2cc3c(s2)S(=O)(=O)CC3)cc1 CC(C)C[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cc2CCS(=O)(=O)c2s1)N[*:1]
CC(C)CNC(=O)Cc1ccc(NC(=O)c2cc3c(s2)S(=O)(=O)CC3)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cc2CCS(=O)(=O)c2s1)NC[*:1]
CCc1ccc(C)nc1NC(=O)c1snnc1C Cc1nnsc1[*:1] CCc1ccc(C)nc1NC(=O)[*:1]
Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCC(F)(F)F FC(F)(F)C[*:1] Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[*:1]
Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCC(F)(F)F FC(F)(F)[*:1] Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCC[*:1]
Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCC(F)(F)F FC(F)(F)CC[*:1] Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[*:1]
Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCC(F)(F)F FC(F)(F)CCC[*:1] Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[*:1]
C[C@](NC(=O)C[C@@H]1CCC[NH2+]C1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@](NC(=O)C[C@@H]1CCC[NH2+]C1)(C(=O)[O-])[*:1]
C[C@](NC(=O)C[C@@H]1CCC[NH2+]C1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@](NC(=O)C[C@@H]1CCC[NH2+]C1)(C(F)(F)F)[*:1]
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cccc3cc[nH]c23)CC1 O=C(N1CCCC1)[*:1] C[C@@H](N1CCN(CC1)C(=O)c1cccc2cc[nH]c12)[*:1]
O=C(Cn1c(=O)cnc2ccccc21)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 C1CO[C@@H](C1)C[*:1] O=C(Cn1c(=O)cnc2ccccc21)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(Cn1c(=O)cnc2ccccc21)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 C1CO[C@@H](C1)[*:1] O=C(Cn1c(=O)cnc2ccccc21)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(Cn1c(=O)cnc2ccccc21)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(Cn1c(=O)cnc2ccccc21)N(C[C@@H]1CCCO1)[*:1]
Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(-c2cccs2)on1 Cc1ccccc1[*:1] O=C(c1cc(on1)-c1cccs1)N1CCC[C@H]1[*:1]
Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(-c2cccs2)on1 c1csc(c1)[*:1] Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(on1)[*:1]
C[C@H](Oc1ccccc1Br)C(=O)N1CCOC[C@H]1C(N)=O Brc1ccccc1[*:1] C[C@H](O[*:1])C(=O)N1CCOC[C@H]1C(N)=O
C[C@H](Oc1ccccc1Br)C(=O)N1CCOC[C@H]1C(N)=O NC(=O)[*:1] C[C@H](Oc1ccccc1Br)C(=O)N1CCOC[C@@H]1[*:1]
CCCCOCCCNC(=O)N(C)C CCC[*:1] CN(C)C(=O)NCCCOC[*:1]
CCCCOCCCNC(=O)N(C)C CCCC[*:1] CN(C)C(=O)NCCCO[*:1]
Cc1ccc(N(C)S(=O)(=O)C[C@@H]2CCCO2)c(C)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(c(C)c1)N(C)S(=O)(=O)C[*:1]
COC(=O)C1=c2/c(=C/c3cccnc3)c(N)c(C(=O)OC)n2C(=O)[C@@H](c2cccnc2)S1 COC(=O)[*:1] COC(=O)c1c(N)/c(=C\c2cccnc2)c2=C(S[C@@H](C(=O)n12)c1cccnc1)[*:1]
COC(=O)C1=c2/c(=C/c3cccnc3)c(N)c(C(=O)OC)n2C(=O)[C@@H](c2cccnc2)S1 c1cncc(c1)[*:1] COC(=O)C1S[C@H](C(=O)n2c(C(=O)OC)c(N)/c(=C\c3cccnc3)c2=1)[*:1]
COC(=O)C1=c2/c(=C/c3cccnc3)c(N)c(C(=O)OC)n2C(=O)[C@@H](c2cccnc2)S1 COC(=O)[*:1] COC(=O)C1S[C@@H](C(=O)n2c(c(N)/c(=C\c3cccnc3)c2=1)[*:1])c1cccnc1
COC(=O)C1=c2/c(=C/c3cccnc3)c(N)c(C(=O)OC)n2C(=O)[C@@H](c2cccnc2)S1 c1cncc(c1)[*:1] COC(=O)C1S[C@@H](C(=O)n2c(C(=O)OC)c(N)c(=C[*:1])c2=1)c1cccnc1
CNS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 c1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(cc1)NC(=O)CS[*:1]
CNS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 c1ccc(cc1)S[*:1] CNS(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
CNS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 CNS(=O)(=O)[*:1] O=C(CSc1ccccc1)Nc1ccc(cc1)[*:1]
CC(=O)Nc1cc(NC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)ccc1Cl CC(=O)N[*:1] C[C@H](NC(=O)Nc1ccc(Cl)c(c1)[*:1])c1ccccc1C(F)(F)F
CC(=O)Nc1cc(NC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)ccc1Cl FC(F)(F)[*:1] CC(=O)Nc1cc(ccc1Cl)NC(=O)N[C@@H](C)c1ccccc1[*:1]
Cc1nn(C)c(C)c1C[NH2+]CC(=O)NC1CC1 C1CC1[*:1] Cc1nn(C)c(C)c1C[NH2+]CC(=O)N[*:1]
Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2ccccc2F)CC3)cn1 Fc1ccccc1C[*:1] Cc1cnc(cn1)CN1CC2(CCC1=O)CC[NH+](CC2)[*:1]
Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2ccccc2F)CC3)cn1 Fc1ccccc1[*:1] Cc1cnc(cn1)CN1CC2(CCC1=O)CC[NH+](CC2)C[*:1]
Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2ccccc2F)CC3)cn1 Cc1cnc(cn1)C[*:1] O=C1CCC2(CC[NH+](CC2)Cc2ccccc2F)CN1[*:1]
Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2ccccc2F)CC3)cn1 Cc1cnc(cn1)[*:1] O=C1CCC2(CC[NH+](CC2)Cc2ccccc2F)CN1C[*:1]
COc1ccc(/C=C/C(=O)N[C@@H](C)Cc2cccs2)cc1OC c1csc(c1)C[*:1] COc1ccc(/C=C/C(=O)N[C@@H](C)[*:1])cc1OC
COc1ccc(/C=C/C(=O)N[C@@H](C)Cc2cccs2)cc1OC c1csc(c1)[*:1] COc1ccc(/C=C/C(=O)N[C@@H](C)C[*:1])cc1OC
Cc1nccn1-c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cn1 Cc1nccn1[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1ccc(nc1)[*:1]
Cc1ccc(CSCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CSCC(=O)N[C@@H](C(N)=O)[*:1]
Cc1ccc(CSCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@H](NC(=O)CSC[*:1])c1ccccc1
Cc1ccc(CSCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 NC(=O)[*:1] Cc1ccc(cc1)CSCC(=O)N[C@@H](c1ccccc1)[*:1]
O=C(NCC1(CCO)CCCCC1)c1cnoc1-c1ccco1 OCC[*:1] O=C(NCC1(CCCCC1)[*:1])c1cnoc1-c1ccco1
O=C(NCC1(CCO)CCCCC1)c1cnoc1-c1ccco1 c1coc(c1)[*:1] O=C(NCC1(CCO)CCCCC1)c1cnoc1[*:1]
CC(=O)c1cccc(OCc2cc(C(=O)/N=c3/sccn3C)no2)c1 CC(=O)[*:1] Cn1ccs/c1=N/C(=O)c1cc(COc2cccc(c2)[*:1])on1
CSC[C@@](C)(O)CNc1ncc(C(N)=O)cc1Cl NC(=O)[*:1] CSC[C@@](C)(O)CNc1ncc(cc1Cl)[*:1]
CSC[C@@](C)(O)CNc1ncc(C(N)=O)cc1Cl CSC[*:1] C[C@@](O)(CNc1ncc(cc1Cl)C(N)=O)[*:1]
O=C(Nc1cc(-c2ccccc2Cl)no1)c1cc(-c2cccnc2)nc2ccccc12 c1cncc(c1)[*:1] O=C(Nc1cc(no1)-c1ccccc1Cl)c1cc(nc2ccccc12)[*:1]
O=C(Nc1cc(-c2ccccc2Cl)no1)c1cc(-c2cccnc2)nc2ccccc12 Clc1ccccc1[*:1] O=C(Nc1cc(no1)[*:1])c1cc(nc2ccccc12)-c1cccnc1
CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cccc(F)c2)C1 CCNC(=O)[*:1] O=C(c1cccc(F)c1)N1CCC[C@](Cc2ccccc2-c2ccncc2)(C1)[*:1]
CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cccc(F)c2)C1 c1cc(ccn1)[*:1] CCNC(=O)[C@]1(CCCN(C1)C(=O)c1cccc(F)c1)Cc1ccccc1[*:1]
CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CCNC(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1ccccc1-c1ccncc1
O=C(/C=C/c1ccc(Cl)cc1Cl)NCCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(/C=C/c1ccc(Cl)cc1Cl)NCCC[*:1]
O=C(/C=C/c1ccc(Cl)cc1Cl)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(/C=C/c1ccc(Cl)cc1Cl)NCC[*:1]
COCC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@@H]1O COCC(=O)N[*:1] O=C(C[C@@H]1O[C@H](C[*:1])[C@@H](O)[C@H]1O)N1CCN(CC1)c1ccc(F)cc1
COCC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@@H]1O Fc1ccc(cc1)[*:1] COCC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(CC2)[*:1])[C@H](O)[C@@H]1O
COCC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@@H]1O COC[*:1] O=C(C[C@@H]1O[C@H](CNC(=O)[*:1])[C@@H](O)[C@H]1O)N1CCN(CC1)c1ccc(F)cc1
COCC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@@H]1O COCC(=O)NC[*:1] O=C(C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)[*:1])N1CCN(CC1)c1ccc(F)cc1
C[NH2+][C@H](c1ccc(OC)c(Br)c1)c1cscc1C Cc1cscc1[*:1] C[NH2+][C@H](c1ccc(OC)c(Br)c1)[*:1]
O=S(=O)(CCCOc1ccc(F)cc1)N1CCN(c2cccc(Cl)c2Cl)CC1 Clc1cccc(c1Cl)[*:1] O=S(=O)(CCCOc1ccc(F)cc1)N1CCN(CC1)[*:1]
O=S(=O)(CCCOc1ccc(F)cc1)N1CCN(c2cccc(Cl)c2Cl)CC1 Fc1ccc(cc1)OC[*:1] O=S(=O)(CC[*:1])N1CCN(CC1)c1cccc(Cl)c1Cl
O=S(=O)(CCCOc1ccc(F)cc1)N1CCN(c2cccc(Cl)c2Cl)CC1 Fc1ccc(cc1)O[*:1] O=S(=O)(CCC[*:1])N1CCN(CC1)c1cccc(Cl)c1Cl
O=S(=O)(CCCOc1ccc(F)cc1)N1CCN(c2cccc(Cl)c2Cl)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(CCCO[*:1])N1CCN(CC1)c1cccc(Cl)c1Cl
O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 FC(F)(F)c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 FC(F)(F)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
CCC(=O)OC[C@H]1C=c2ccc(C)cc2=[NH+]C1=O CCC(=O)OC[*:1] Cc1ccc2=C[C@@H](C(=O)[NH+]=c2c1)[*:1]
CCC(=O)OC[C@H]1C=c2ccc(C)cc2=[NH+]C1=O CCC(=O)O[*:1] Cc1ccc2=C[C@H](C[*:1])C(=O)[NH+]=c2c1
C=CCc1ccccc1OC(=O)CCn1nnc2ccccc2c1=O C=CC[*:1] O=C(CCn1nnc2ccccc2c1=O)Oc1ccccc1[*:1]
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(C)C3CCCCC3)c2)C1 C1CCC(CC1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
Cc1nc(CS[C@H]2CCN(c3c(F)cccc3F)C2=O)cs1 Cc1nc(cs1)C[*:1] O=C1[C@H](CCN1c1c(F)cccc1F)S[*:1]
Cc1nc(CS[C@H]2CCN(c3c(F)cccc3F)C2=O)cs1 Cc1nc(cs1)[*:1] O=C1[C@H](CCN1c1c(F)cccc1F)SC[*:1]
CC[C@H](NC(=O)CCc1ccccc1C)c1c(C)nn(C)c1C Cc1ccccc1[*:1] CC[C@H](NC(=O)CC[*:1])c1c(C)nn(C)c1C
COCCCNC(=O)[C@@H](C)Sc1ccc2ccccc2c1 COCC[*:1] C[C@@H](Sc1ccc2ccccc2c1)C(=O)NC[*:1]
COCCCNC(=O)[C@@H](C)Sc1ccc2ccccc2c1 COCCC[*:1] C[C@@H](Sc1ccc2ccccc2c1)C(=O)N[*:1]
COCCCNC(=O)[C@@H](C)Sc1ccc2ccccc2c1 COC[*:1] C[C@@H](Sc1ccc2ccccc2c1)C(=O)NCC[*:1]
COc1cccc(NC(=O)C[C@@H](C)n2cccn2)c1 c1cnn(c1)[*:1] COc1cccc(c1)NC(=O)C[C@@H](C)[*:1]
Cc1ccnc(NC(=O)c2ccc(-n3ccnn3)cc2)c1 Cc1ccnc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)-n1ccnn1
Cc1ccnc(NC(=O)c2ccc(-n3ccnn3)cc2)c1 c1cn(nn1)[*:1] Cc1ccnc(c1)NC(=O)c1ccc(cc1)[*:1]
O=C(COc1ccccc1Cl)Oc1ccc(-n2cnnn2)cc1 Clc1ccccc1[*:1] O=C(CO[*:1])Oc1ccc(cc1)-n1cnnn1
O=C(COc1ccccc1Cl)Oc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(COc1ccccc1Cl)Oc1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl CCO[*:1] O=S(=O)(c1ccc(c(Cl)c1)[*:1])N1CCN(CC1)Cc1ccc2OCOc2c1
CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl c1cc2OCOc2cc1[*:1] CCOc1ccc(cc1Cl)S(=O)(=O)N1CCN(CC1)C[*:1]
CCC(=O)[C@@](O)(CC)[C@](C)(O)Br C[C@](O)(Br)[*:1] CCC(=O)[C@@](O)(CC)[*:1]
CCC(=O)[C@@](O)(CC)[C@](C)(O)Br CCC(=O)[*:1] CC[C@](O)([C@](C)(O)Br)[*:1]
CCc1cc(C[NH2+]Cc2ccccc2N2C[C@@H](C)O[C@H](C)C2)on1 C[C@@H]1CN(C[C@@H](C)O1)[*:1] CCc1cc(C[NH2+]Cc2ccccc2[*:1])on1
CCc1cc(C[NH2+]Cc2ccccc2N2C[C@@H](C)O[C@H](C)C2)on1 CCc1cc(on1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1C[NH2+]C[*:1]
COc1ccccc1NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 COc1ccccc1[*:1] O=C(CN[*:1])NCc1ccc(cc1)C(=O)N1CCCC1
COc1ccccc1NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] COc1ccccc1NCC(=O)NCc1ccc(cc1)[*:1]
COc1ccccc1NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 COc1ccccc1N[*:1] O=C(C[*:1])NCc1ccc(cc1)C(=O)N1CCCC1
C[C@H](c1ccncc1)N1Cc2cccc(C(=O)[O-])c2C1=O c1cc(ccn1)[*:1] C[C@H](N1Cc2cccc(C(=O)[O-])c2C1=O)[*:1]
C[C@H](c1ccncc1)N1Cc2cccc(C(=O)[O-])c2C1=O O=C([O-])[*:1] C[C@H](c1ccncc1)N1Cc2cccc(c2C1=O)[*:1]
COc1cc(-c2nnc(NC(=O)c3cc(C)oc3C)o2)cc(OC)c1OC Cc1cc(c(C)o1)[*:1] COc1cc(cc(OC)c1OC)-c1nnc(NC(=O)[*:1])o1
CCN(CC)C(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2)CC1 Cc1cccc(c1)[*:1] CCN(CC)C(=O)[C@H](NC(=O)[*:1])C1CCN(CC1)C(=O)c1ccccc1
CCN(CC)C(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2)CC1 CCN(CC)C(=O)[*:1] Cc1cccc(c1)C(=O)N[C@H](C1CCN(CC1)C(=O)c1ccccc1)[*:1]
CCN(CC)C(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2)CC1 Cc1cccc(c1)C(=O)N[*:1] CCN(CC)C(=O)[C@H](C1CCN(CC1)C(=O)c1ccccc1)[*:1]
CCN(CC)C(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(CC1)C(=O)[*:1]
CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](C)[C@@H](O)C1 c1coc(c1)[*:1] CSCC[C@@H](NC(=O)[*:1])C(=O)N1CC[C@H](C)[C@@H](O)C1
CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](C)[C@@H](O)C1 CSC[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)[C@@H](C[*:1])NC(=O)c1ccco1
CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](C)[C@@H](O)C1 CSCC[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)[C@H](NC(=O)c1ccco1)[*:1]
Cc1nc(C)c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 Cc1nc(C)c(s1)[*:1] O=C(c1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
Cc1nc(C)c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 Clc1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)N1CCN(CC1)C(=O)[*:1]
Cn1c(CN2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc(=O)n(C)c1=O Cn1c(cc(=O)n(C)c1=O)[*:1] O=S(=O)(c1ccc(cc1)C1CCCCC1)N1CCN(CC1)C[*:1]
Cn1c(CN2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc(=O)n(C)c1=O C1CCC(CC1)[*:1] Cn1c(cc(=O)n(C)c1=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)CC2 CC(C)(C)[*:1] Cc1nc2CC[C@@H](Cn2n1)NC(=O)c1ccc(cc1)C(=O)O[*:1]
Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)CC2 CC(C)(C)OC(=O)[*:1] Cc1nc2CC[C@@H](Cn2n1)NC(=O)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)C(C)C)cc1 CC(C)C(=O)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)C(C)C)cc1 CC(C)[*:1] CC(C)C(=O)c1ccccc1NC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)C(C)C)cc1 CC(C)C(=O)N[*:1] CC(C)C(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)C(C)C)cc1 CC(C)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(=O)[*:1]
CC[C@@H](C)CN(CC)c1cc(Cl)ccc1C#N CC[C@@H](C)[*:1] CCN(C[*:1])c1cc(Cl)ccc1C#N
CC[C@@H](C)CN(CC)c1cc(Cl)ccc1C#N CC[C@@H](C)C[*:1] CCN(c1cc(Cl)ccc1C#N)[*:1]
CNC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C(C)C)CC1 CC(C)[*:1] CNC(=O)N1CCN(CC1)CC(=O)Nc1c(C)cccc1[*:1]
O=C1COc2cc(S(=O)(=O)NC[C@@H]3CCCO3)c(Cl)cc2N1 C1CO[C@@H](C1)[*:1] O=C1COc2cc(c(Cl)cc2N1)S(=O)(=O)NC[*:1]
O=C1COc2cc(S(=O)(=O)NC[C@@H]3CCCO3)c(Cl)cc2N1 C1CO[C@@H](C1)C[*:1] O=C1COc2cc(c(Cl)cc2N1)S(=O)(=O)N[*:1]
CC[NH2+][C@@H](c1ccsc1)c1ccc(Br)o1 c1cc(cs1)[*:1] CC[NH2+][C@@H](c1ccc(Br)o1)[*:1]
COc1ccc(Cl)cc1CNC(=O)[C@@H](C)OCc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(Cl)cc1CNC(=O)[C@@H](C)O[*:1]
COc1ccc(Cl)cc1CNC(=O)[C@@H](C)OCc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1CNC(=O)[C@@H](C)OC[*:1]
Cc1nc(-c2ccccc2)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1CCO c1ccc(cc1)[*:1] Cc1nc(n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1CCO)[*:1]
Cc1nc(-c2ccccc2)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1CCO Fc1cc(Cl)ccc1[*:1] Cc1nc(-c2ccccc2)n(CC(=O)N[*:1])c(=O)c1CCO
Cc1nc(-c2ccccc2)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1CCO OCC[*:1] Cc1nc(-c2ccccc2)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1[*:1]
Cn1c(Cl)cnc1CN[C@H](C(N)=O)C(C)(C)C NC(=O)[*:1] Cn1c(Cl)cnc1CN[C@H](C(C)(C)C)[*:1]
Cn1c(Cl)cnc1CN[C@H](C(N)=O)C(C)(C)C CC(C)(C)[*:1] Cn1c(Cl)cnc1CN[C@H](C(N)=O)[*:1]
CCCNc1ncc(C)c(-c2ccnn2C)n1 CCCN[*:1] Cc1cnc(nc1-c1ccnn1C)[*:1]
CCCNc1ncc(C)c(-c2ccnn2C)n1 CCC[*:1] Cc1cnc(nc1-c1ccnn1C)N[*:1]
CCS[C@H]1CCCCN(c2ccc(C(=O)Nc3ccccc3)nn2)C1 c1ccc(cc1)[*:1] CCS[C@H]1CCCCN(C1)c1ccc(nn1)C(=O)N[*:1]
CCS[C@H]1CCCCN(c2ccc(C(=O)Nc3ccccc3)nn2)C1 CCS[*:1] O=C(Nc1ccccc1)c1ccc(nn1)N1CCCC[C@@H](C1)[*:1]
CCCOc1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 CCCO[*:1] Cc1ccc(NC(=O)COc2cccc(c2)[*:1])c(C)c1
CCCOc1cccc(OCC(=O)Nc2ccc(C)cc2C)c1 CCC[*:1] Cc1ccc(NC(=O)COc2cccc(c2)O[*:1])c(C)c1
O=[N+]([O-])c1c(NCc2ccccc2Cl)ncnc1N1CCN(c2cccc[nH+]2)CC1 Clc1ccccc1[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)c1cccc[nH+]1)NC[*:1]
O=[N+]([O-])c1c(NCc2ccccc2Cl)ncnc1N1CCN(c2cccc[nH+]2)CC1 O=[N+]([O-])[*:1] Clc1ccccc1CNc1ncnc(c1[*:1])N1CCN(CC1)c1cccc[nH+]1
O=[N+]([O-])c1c(NCc2ccccc2Cl)ncnc1N1CCN(c2cccc[nH+]2)CC1 Clc1ccccc1C[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)c1cccc[nH+]1)N[*:1]
O=[N+]([O-])c1c(NCc2ccccc2Cl)ncnc1N1CCN(c2cccc[nH+]2)CC1 Clc1ccccc1CN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc(cc1Cl)[*:1]
Cc1cc(OCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C(COC(=O)CO[*:1])Nc1ccc2CCCc2c1
O=C(/C=C/c1cccc2ccccc12)NCC(=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C(/C=C/c1cccc2ccccc12)NCC(=O)N[*:1]
O=C(/C=C/c1cccc2ccccc12)NCC(=O)NCC(F)(F)F O=C(NCC(F)(F)F)[*:1] O=C(/C=C/c1cccc2ccccc12)NC[*:1]
O=C(/C=C/c1cccc2ccccc12)NCC(=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(/C=C/c1cccc2ccccc12)NCC(=O)NC[*:1]
C=CC(=O)N(C(=O)C=C)[C@H](CS)C(=O)[O-] O=C([O-])[*:1] C=CC(=O)N(C(=O)C=C)[C@H](CS)[*:1]
Cc1ccc(NC(=O)N(C)CCCc2n[nH]c(N)c2C#N)cc1 Cc1ccc(cc1)[*:1] CN(CCCc1n[nH]c(N)c1C#N)C(=O)N[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 COc1ccc(F)cc1[*:1] O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)C(=O)N[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[*:1]
O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] O=C(Cc1cccc(c1)[*:1])NC[C@@H]1CCS(=O)(=O)C1
COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)c1nc(C)cs1)CC2 Cc1csc(n1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)N[C@@H](C)[*:1]
COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OC)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 COc1ccccc1[*:1] COc1ccc(cc1)[C@@H]1[C@H](C(=O)N[*:1])c2cc(OC)c(cc2C(=O)N1C)OC
COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OC)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 COc1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@@H]1c2cc(OC)c(cc2C(=O)N(C)[C@@H]1[*:1])OC
COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OC)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 COc1ccccc1NC(=O)[*:1] COc1ccc(cc1)[C@@H]1[C@H](c2cc(OC)c(cc2C(=O)N1C)OC)[*:1]
Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2ncn(Cc3ccccc3F)c(=O)c12 c1cc2OCCOc2cc1[*:1] Cc1c(sc2ncn(Cc3ccccc3F)c(=O)c12)C(=O)N[*:1]
Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2ncn(Cc3ccccc3F)c(=O)c12 Fc1ccccc1[*:1] Cc1c(sc2ncn(C[*:1])c(=O)c12)C(=O)Nc1ccc2OCCOc2c1
Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2ncn(Cc3ccccc3F)c(=O)c12 Fc1ccccc1C[*:1] Cc1c(sc2ncn(c(=O)c12)[*:1])C(=O)Nc1ccc2OCCOc2c1
O=S(=O)(NC[C@@H](O)Cc1ccccc1)c1ccccc1F c1ccc(cc1)[*:1] O=S(=O)(NC[C@@H](O)C[*:1])c1ccccc1F
O=S(=O)(NC[C@@H](O)Cc1ccccc1)c1ccccc1F Fc1ccccc1[*:1] O=S(=O)(NC[C@@H](O)Cc1ccccc1)[*:1]
O=S(=O)(NC[C@@H](O)Cc1ccccc1)c1ccccc1F c1ccc(cc1)C[*:1] O=S(=O)(NC[C@@H](O)[*:1])c1ccccc1F
CC(=O)Nc1ccc(SCC(=O)NCCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] CC(=O)Nc1ccc(cc1)SCC(=O)NC[*:1]
CC(=O)Nc1ccc(SCC(=O)NCCc2ccc(Cl)cc2)cc1 CC(=O)N[*:1] O=C(CSc1ccc(cc1)[*:1])NCCc1ccc(Cl)cc1
CC(=O)Nc1ccc(SCC(=O)NCCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)SCC(=O)NCC[*:1]
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(c1)C(=O)N[*:1]
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)(C)NC(=O)[*:1] C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 Clc1ccc(O[*:1])c(Br)c1 C[C@@H](C(=O)Nc1cccc(c1)C(=O)NC(C)(C)C)[*:1]
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 Clc1ccc(c(Br)c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(c1)C(=O)NC(C)(C)C
Cc1ccc2ncc(C(=O)Nc3ccnn3Cc3ccsc3)n2c1 c1cc(cs1)C[*:1] Cc1ccc2ncc(C(=O)Nc3ccnn3[*:1])n2c1
Cc1ccc2ncc(C(=O)Nc3ccnn3Cc3ccsc3)n2c1 c1cc(cs1)[*:1] Cc1ccc2ncc(C(=O)Nc3ccnn3C[*:1])n2c1
N#Cc1ccc(OC2CCC(NC(=O)C3(c4cccc(F)c4)CCC3)CC2)nc1 Fc1cccc(c1)[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)NC(=O)C1(CCC1)[*:1]
N#Cc1ccc(OC2CCC(NC(=O)C3(c4cccc(F)c4)CCC3)CC2)nc1 N#Cc1ccc(nc1)O[*:1] O=C(NC1CCC(CC1)[*:1])C1(CCC1)c1cccc(F)c1
N#Cc1ccc(OC2CCC(NC(=O)C3(c4cccc(F)c4)CCC3)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(NC1CCC(CC1)O[*:1])C1(CCC1)c1cccc(F)c1
CC(C)C[C@H](C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O O=C(Nc1nccs1)[*:1] CC(C)C[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC(C)C[C@H](C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(Nc1nccs1)[C@@H](C[*:1])N1C(=O)c2ccccc2C1=O
CC(C)C[C@H](C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O c1csc(n1)[*:1] CC(C)C[C@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CC(C)C[C@H](C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O CC(C)C[*:1] O=C(Nc1nccs1)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
Cc1nc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)ncc1C(=O)[O-] O=C([O-])[*:1] Cc1nc(CCc2ccc(cc2)S(=O)(=O)N2CCCC2)ncc1[*:1]
Cc1nc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)ncc1C(=O)[O-] O=S(=O)(N1CCCC1)[*:1] Cc1nc(CCc2ccc(cc2)[*:1])ncc1C(=O)[O-]
COc1ccccc1N1C[C@H](C(=O)Nc2c3c(nn2C)CSC3)CC1=O COc1ccccc1[*:1] Cn1nc2CSCc2c1NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N1CCO[C@@H](C1)C[*:1]
C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])C[*:1] C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N1CCO[C@H](C1)[*:1]
Cc1cccc([C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 Cc1cccc(c1)[*:1] Cc1c(cccc1[N+](=O)[O-])[C@H](C)NC[C@@H](O)[*:1]
Cc1cccc([C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)[C@H](O)CN[C@@H](C)c1cccc(c1C)[*:1]
COC(=O)c1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c1 COC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CN(c2ccccc2O1)S(=O)(=O)Cc1ccccc1
COC(=O)c1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c1 c1ccc(cc1)[*:1] COC(=O)c1cccc(c1)NC(=O)[C@@H]1CN(c2ccccc2O1)S(=O)(=O)C[*:1]
COC(=O)c1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c1 COC(=O)c1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CN(c2ccccc2O1)S(=O)(=O)Cc1ccccc1
COC(=O)c1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c1 c1ccc(cc1)C[*:1] COC(=O)c1cccc(c1)NC(=O)[C@@H]1CN(c2ccccc2O1)S(=O)(=O)[*:1]
Cc1noc(-c2ccccc2OCc2nc(C3CC3)no2)n1 Cc1noc(n1)[*:1] c1ccc(c(c1)OCc1nc(no1)C1CC1)[*:1]
Cc1noc(-c2ccccc2OCc2nc(C3CC3)no2)n1 C1CC1[*:1] Cc1noc(n1)-c1ccccc1OCc1nc(no1)[*:1]
C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCc2ccc(cc2C1)[*:1]
O=C(CCc1c[nH]c2ccccc12)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 c1ccc2c(c[nH]c2c1)CC[*:1] O=C1CN(C[C@H](CN1C1CCCCC1)OCc1ccncc1)C(=O)[*:1]
O=C(CCc1c[nH]c2ccccc12)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 c1cc(ccn1)[*:1] O=C(CCc1c[nH]c2ccccc12)N1CC(=O)N(C[C@@H](C1)OC[*:1])C1CCCCC1
O=C(CCc1c[nH]c2ccccc12)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 C1CCC(CC1)[*:1] O=C(CCc1c[nH]c2ccccc12)N1CC(=O)N(C[C@@H](C1)OCc1ccncc1)[*:1]
O=C(CCc1c[nH]c2ccccc12)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CC[*:1])N1CC(=O)N(C[C@@H](C1)OCc1ccncc1)C1CCCCC1
O=C(CCc1c[nH]c2ccccc12)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 c1cc(ccn1)CO[*:1] O=C(CCc1c[nH]c2ccccc12)N1CC(=O)N(C[C@H](C1)[*:1])C1CCCCC1
O=C(CCc1c[nH]c2ccccc12)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 c1cc(ccn1)C[*:1] O=C(CCc1c[nH]c2ccccc12)N1CC(=O)N(C[C@@H](C1)O[*:1])C1CCCCC1
O=C(CCc1c[nH]c2ccccc12)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(C[*:1])N1CC(=O)N(C[C@@H](C1)OCc1ccncc1)C1CCCCC1
Fc1ccc2c(c1)[C@@H]([NH2+]Cc1csc(Br)c1)CCS2 Brc1cc(cs1)[*:1] Fc1ccc2SCC[C@H]([NH2+]C[*:1])c2c1
O=[N+]([O-])c1cccnc1Sc1nnnn1-c1ccccc1 O=[N+]([O-])[*:1] c1ccc(cc1)-n1nnnc1Sc1ncccc1[*:1]
O=[N+]([O-])c1cccnc1Sc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccnc1Sc1nnnn1[*:1]
Cc1cc(C)nc(N2CCN(c3ncnc4c3cnn4Cc3ccc(Cl)cc3Cl)CC2)n1 Clc1ccc(C[*:1])c(Cl)c1 Cc1cc(C)nc(n1)N1CCN(CC1)c1ncnc2c1cnn2[*:1]
Cc1cc(C)nc(N2CCN(c3ncnc4c3cnn4Cc3ccc(Cl)cc3Cl)CC2)n1 Clc1ccc(c(Cl)c1)[*:1] Cc1cc(C)nc(n1)N1CCN(CC1)c1ncnc2c1cnn2C[*:1]
Cc1cc(C)nc(N2CCN(c3ncnc4c3cnn4Cc3ccc(Cl)cc3Cl)CC2)n1 Cc1cc(C)nc(n1)[*:1] Clc1ccc(Cn2ncc3c(ncnc32)N2CCN(CC2)[*:1])c(Cl)c1
CCCc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)n(C)n1 CCC[*:1] C[C@H](CNC(=O)Nc1cc(nn1C)[*:1])C[NH+]1CCCCC1
Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1)[*:1]
Cc1ccsc1[C@](C)(O)[C@]1(C#N)CCc2ccccc2C1 Cc1ccsc1[*:1] C[C@](O)([C@]1(C#N)CCc2ccccc2C1)[*:1]
CCC[C@H](O)CCc1nonc1C CCC[*:1] Cc1nonc1CC[C@@H](O)[*:1]
CC1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CC1 CC1CCC(CC1)[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CC1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)CC1 C1CCC(CC1)[*:1] CC1CCC(CC1)NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N(C)[*:1]
O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 c1cc2OCCOc2cc1[*:1] O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(on1)[*:1]
O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 Clc1ccccc1[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1cc(on1)-c1ccc2OCCOc2c1
CC(=O)Nc1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1 CC(=O)N[*:1] c1ccc2c(nc(nc2c1)Nc1ccc(cc1)[*:1])NC1CCCC1
CC(=O)Nc1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1 C1CCC(C1)[*:1] CC(=O)Nc1ccc(cc1)Nc1nc(N[*:1])c2ccccc2n1
CC(=O)Nc1ccc(Nc2nc(NC3CCCC3)c3ccccc3n2)cc1 C1CCC(C1)N[*:1] CC(=O)Nc1ccc(cc1)Nc1nc(c2ccccc2n1)[*:1]
COc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(OC)cc3OC)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)S(=O)(=O)N1CC[C@@H](C1)[*:1]
CCc1noc(CC)c1CNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C CN(C)S(=O)(=O)[*:1] CCc1noc(CC)c1CNC(=O)c1cc(oc1C)[*:1]
C[C@H]([NH2+][C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccccc1F Fc1ccccc1[*:1] C[C@H]([NH2+][C@@H](CO)c1cc(F)c(F)c(F)c1)[*:1]
Cn1cnc2c1c(=O)n(CC(=O)Nc1nc(-c3ccc(F)cc3)cs1)c(=O)n2C Fc1ccc(cc1)[*:1] Cn1cnc2c1c(=O)n(CC(=O)Nc1nc(cs1)[*:1])c(=O)n2C
NC(=O)C1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 NC(=O)[*:1] O=C(c1cnn(c1)-c1cccc(Cl)c1)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 Clc1cccc(c1)[*:1] NC(=O)C1CCN(CC1)C(=O)c1cnn(c1)[*:1]
CCOCC(=O)NNC(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C CCOC[*:1] Cc1ccc(cc1Cl)-n1nc(C)c(CC(=O)NNC(=O)[*:1])c1C
CCOCC(=O)NNC(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C CCO[*:1] Cc1ccc(cc1Cl)-n1nc(C)c(CC(=O)NNC(=O)C[*:1])c1C
CCOCC(=O)NNC(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C Cc1ccc(cc1Cl)[*:1] CCOCC(=O)NNC(=O)Cc1c(C)nn(c1C)[*:1]
C[C@H](O)C1CCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)CC1 C1CCC(C1)[*:1] C[C@H](O)C1CCN(CC1)C(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
C[C@H](O)C1CCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)CC1 C[C@H](O)[*:1] O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)N1CCC(CC1)[*:1]
C[C@H](O)C1CCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)CC1 C1CCC(C1)O[*:1] C[C@H](O)C1CCN(CC1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CN(C(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1)C1CCCCC1 Clc1ccc(C=C[*:1])cc1 CN(C(=O)c1ccccc1NC(=O)[*:1])C1CCCCC1
CN(C(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1)C1CCCCC1 Clc1ccc(cc1)[*:1] CN(C(=O)c1ccccc1NC(=O)C=C[*:1])C1CCCCC1
CN(C(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1)[*:1]
CC(C)(C)c1cnc(CSc2nnc(C3CC3)n2C2CC2)o1 C1CC1[*:1] CC(C)(C)c1cnc(CSc2nnc(C3CC3)n2[*:1])o1
CC(C)(C)c1cnc(CSc2nnc(C3CC3)n2C2CC2)o1 C1CC1[*:1] CC(C)(C)c1cnc(CSc2nnc(n2C2CC2)[*:1])o1
CC(C)(C)c1cnc(CSc2nnc(C3CC3)n2C2CC2)o1 CC(C)(C)[*:1] c1nc(CSc2nnc(C3CC3)n2C2CC2)oc1[*:1]
NC(=O)c1ccnc(NC[C@@H]2CCC[C@@H]2O)c1 NC(=O)[*:1] O[C@H]1CCC[C@H]1CNc1cc(ccn1)[*:1]
Cc1noc(C)c1CN[C@H](C)c1ccccc1C(F)(F)F Cc1noc(C)c1[*:1] C[C@@H](NC[*:1])c1ccccc1C(F)(F)F
Cc1noc(C)c1CN[C@H](C)c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1noc(C)c1CN[C@H](C)c1ccccc1[*:1]
CCCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)N(C(C)=O)c1ccccc1-2 CCC[*:1] CC(=O)N1c2ccccc2-c2nnc(nc2O[C@H]1c1cccc(c1)[N+](=O)[O-])S[*:1]
CCCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)N(C(C)=O)c1ccccc1-2 O=[N+]([O-])c1cccc(c1)[*:1] CCCSc1nnc2-c3ccccc3N(C(C)=O)[C@H](Oc2n1)[*:1]
CCCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)N(C(C)=O)c1ccccc1-2 CCCS[*:1] CC(=O)N1c2ccccc2-c2nnc(nc2O[C@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
CCCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)N(C(C)=O)c1ccccc1-2 O=[N+]([O-])[*:1] CCCSc1nnc2-c3ccccc3N(C(C)=O)[C@@H](Oc2n1)c1cccc(c1)[*:1]
Cc1ccc(OCC(=O)N/N=C/c2ccc[nH]2)c([N+](=O)[O-])c1 c1c[nH]c(c1)[*:1] Cc1ccc(OCC(=O)NN=C[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(OCC(=O)N/N=C/c2ccc[nH]2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OCC(=O)N/N=C/c2ccc[nH]2)c(c1)[*:1]
COC(C)(C)C[C@H](C)NC(=O)N[C@H]1c2ccccc2C[C@H]1O COC(C)(C)C[*:1] C[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1O)[*:1]
COC(C)(C)C[C@H](C)NC(=O)N[C@H]1c2ccccc2C[C@H]1O COC(C)(C)[*:1] C[C@@H](C[*:1])NC(=O)N[C@H]1c2ccccc2C[C@H]1O
CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)CC1 C[C@H]1C[C@@H]1[*:1] CCN1CC[NH+](CC1)C[C@H](C)CNC(=O)N1CCN(CC1)C(=O)[*:1]
CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](CC)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](CC)[*:1]
CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](CC)c1ccc(C)cc1 Cc1cccc(c1C)[*:1] CC[C@H](O[*:1])C(=O)N[C@@H](CC)c1ccc(C)cc1
CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccn(C)c2=O)cc1 CNS(=O)(=O)[*:1] Cn1cccc(NC(=O)CCc2ccc(cc2)[*:1])c1=O
CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccn(C)c2=O)cc1 Cn1cccc(c1=O)[*:1] CNS(=O)(=O)c1ccc(cc1)CCC(=O)N[*:1]
CC(C)Oc1ccc(Br)c(CO)c1 CC(C)[*:1] OCc1cc(ccc1Br)O[*:1]
CC(C)Oc1ccc(Br)c(CO)c1 CC(C)O[*:1] OCc1cc(ccc1Br)[*:1]
CC(C)(C)OC(=O)N1CCC2(CC1)SCC[C@@H]2CO CC(C)(C)[*:1] O=C(O[*:1])N1CCC2(CC1)SCC[C@@H]2CO
Cc1ccc(-c2noc([C@H](C)NC(=O)C(C)C)n2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1noc(n1)[C@H](C)NC(=O)[*:1]
Cc1ccc(-c2noc([C@H](C)NC(=O)C(C)C)n2)cc1 CC(C)C(=O)N[*:1] Cc1ccc(cc1)-c1noc(n1)[C@H](C)[*:1]
Cc1cccc(N[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1 Cc1cccc(c1)[*:1] O=C1C[C@H](N[*:1])C(=O)N1c1ccc(Br)cc1
Cc1cccc(N[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1 Brc1ccc(cc1)[*:1] Cc1cccc(c1)N[C@H]1CC(=O)N(C1=O)[*:1]
COc1cc(NC(=O)C2(c3cccc(Cl)c3)CC2)c(OC)cc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 COc1cc(c(cc1NC(=O)C1(CC1)c1cccc(Cl)c1)OC)[*:1]
COc1cc(NC(=O)C2(c3cccc(Cl)c3)CC2)c(OC)cc1NC(=O)c1ccccc1 Clc1cccc(c1)[*:1] COc1cc(NC(=O)C2(CC2)[*:1])c(cc1NC(=O)c1ccccc1)OC
COc1cc(NC(=O)C2(c3cccc(Cl)c3)CC2)c(OC)cc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(NC(=O)[*:1])c(cc1NC(=O)C1(CC1)c1cccc(Cl)c1)OC
COc1cc(NC(=O)C2(c3cccc(Cl)c3)CC2)c(OC)cc1NC(=O)c1ccccc1 Clc1cccc(c1)C1(CC1)[*:1] COc1cc(NC(=O)[*:1])c(cc1NC(=O)c1ccccc1)OC
CCc1nn(C)c(N[C@H]2CCN(C(=O)C3CCCC3)C2)c1[N+](=O)[O-] C1CCC(C1)[*:1] CCc1nn(C)c(N[C@H]2CCN(C2)C(=O)[*:1])c1[N+](=O)[O-]
CCc1nn(C)c(N[C@H]2CCN(C(=O)C3CCCC3)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(N[C@H]2CCN(C2)C(=O)C2CCCC2)c1[*:1]
Cc1nc(-c2ccccc2)sc1CNC(=O)c1scnc1C1CC1 c1ccc(cc1)[*:1] Cc1nc(sc1CNC(=O)c1scnc1C1CC1)[*:1]
Cc1nc(-c2ccccc2)sc1CNC(=O)c1scnc1C1CC1 C1CC1[*:1] Cc1nc(sc1CNC(=O)c1scnc1[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1CNC(=O)c1scnc1C1CC1 c1nc(c(s1)[*:1])C1CC1 Cc1nc(sc1CNC(=O)[*:1])-c1ccccc1
Cc1ccc(C[C@@H]([NH3+])C2(N(C)C)CCCCC2)cc1C CN(C)[*:1] Cc1ccc(cc1C)C[C@@H]([NH3+])C1(CCCCC1)[*:1]
COC[C@@](C)(C#N)NC(=O)CC1CCC(C)(C)CC1 COC[*:1] CC1(C)CCC(CC1)CC(=O)N[C@@](C)(C#N)[*:1]
CC[NH2+]Cc1n[nH]c(C)c1S(=O)(=O)NC1C(C)(C)C1(C)C CC1(C)C(C1(C)C)[*:1] CC[NH2+]Cc1n[nH]c(C)c1S(=O)(=O)N[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(CSc2ncccn2)n1C c1cnc(nc1)SC[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(n1C)[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(CSc2ncccn2)n1C c1cnc(nc1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(CS[*:1])n1C
C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(CSc2ncccn2)n1C c1cnc(nc1)S[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(C[*:1])n1C
CCN(CC)C(=O)c1ccc(OCC(=O)Nc2ccccc2C)cc1 Cc1ccccc1[*:1] CCN(CC)C(=O)c1ccc(cc1)OCC(=O)N[*:1]
CCN(CC)C(=O)c1ccc(OCC(=O)Nc2ccccc2C)cc1 CCN(CC)C(=O)[*:1] Cc1ccccc1NC(=O)COc1ccc(cc1)[*:1]
C[C@@H](NC(=O)NCc1ccc([S@](C)=O)cc1)c1cccc2ccccc12 C[S@](=O)[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)[*:1])c1cccc2ccccc12
FC(F)(F)c1cccc([C@H]2CN(Cc3cnc(Cl)s3)CCO2)c1 Clc1ncc(C[*:1])s1 FC(F)(F)c1cccc(c1)[C@H]1CN(CCO1)[*:1]
FC(F)(F)c1cccc([C@H]2CN(Cc3cnc(Cl)s3)CCO2)c1 FC(F)(F)[*:1] Clc1ncc(CN2CCO[C@H](C2)c2cccc(c2)[*:1])s1
FC(F)(F)c1cccc([C@H]2CN(Cc3cnc(Cl)s3)CCO2)c1 Clc1ncc(s1)[*:1] FC(F)(F)c1cccc(c1)[C@H]1CN(CCO1)C[*:1]
Cc1ccc(C(=O)NCC(=O)NCCc2cccc(F)c2)cc1C Cc1ccc(cc1C)[*:1] O=C(CNC(=O)[*:1])NCCc1cccc(F)c1
Cc1ccc(C(=O)NCC(=O)NCCc2cccc(F)c2)cc1C Fc1cccc(c1)C[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)NC[*:1]
Cc1ccc(C(=O)NCC(=O)NCCc2cccc(F)c2)cc1C Fc1cccc(c1)[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)NCC[*:1]
c1ccc(-c2ccn(Cc3ccon3)n2)cc1 c1cc(no1)[*:1] c1ccc(cc1)-c1ccn(C[*:1])n1
COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(Cl)ccc2F)c1 Fc1ccc(Cl)cc1[*:1] COc1ccc(OC)c(c1)[C@@H]1CCCN1C(=O)[*:1]
CS(=O)(=O)c1ccc(OCc2csc(-c3ncccn3)n2)cc1 c1cnc(nc1)[*:1] CS(=O)(=O)c1ccc(cc1)OCc1csc(n1)[*:1]
CS(=O)(=O)c1ccc(OCc2csc(-c3ncccn3)n2)cc1 CS(=O)(=O)[*:1] c1cnc(nc1)-c1nc(cs1)COc1ccc(cc1)[*:1]
CC1(C)CCC[C@H]1NS(=O)(=O)c1cccc(C(=O)[O-])c1 O=C([O-])[*:1] CC1(C)CCC[C@H]1NS(=O)(=O)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)c1cc(=O)c2ccccc2o1
CCc1cc(N[C@@H](C(=O)N2CCOCC2)C(C)C)nc(-c2ccncc2)n1 CC(C)[*:1] CCc1cc(nc(n1)-c1ccncc1)N[C@@H](C(=O)N1CCOCC1)[*:1]
CCc1cc(N[C@@H](C(=O)N2CCOCC2)C(C)C)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CCc1cc(nc(n1)[*:1])N[C@@H](C(=O)N1CCOCC1)C(C)C
CCc1cc(N[C@@H](C(=O)N2CCOCC2)C(C)C)nc(-c2ccncc2)n1 O=C(N1CCOCC1)[*:1] CCc1cc(nc(n1)-c1ccncc1)N[C@@H](C(C)C)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)O[C@@H](c1ccccc1)c1ccncc1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)O[C@@H](c1ccccc1)c1ccncc1
C[C@H](NC(=O)c1ccoc1)C(=O)O[C@@H](c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)O[C@@H](c1ccncc1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)O[C@@H](c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)O[C@@H](c1ccccc1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)O[C@@H](c1ccccc1)c1ccncc1 O=C(N[*:1])c1ccoc1 C[C@H](C(=O)O[C@@H](c1ccccc1)c1ccncc1)[*:1]
CCc1nc(C(=O)N[C@@H](C)c2ccc(C)s2)n[nH]1 Cc1ccc(s1)[*:1] CCc1nc(n[nH]1)C(=O)N[C@@H](C)[*:1]
Cn1cccc1[C@@H](O)CNC(=O)CCS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cn1cccc1[C@@H](O)CNC(=O)CCS(=O)(=O)[*:1]
Cn1cccc1[C@@H](O)CNC(=O)CCS(=O)(=O)c1ccccc1 Cn1cccc1[*:1] O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](O)[*:1]
CCOc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)O[C@H](C)C(=O)Nc1ccc(Cl)c(c1)[*:1]
CCOc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 CCO[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)Nc1ccc(Cl)c(c1)[N+](=O)[O-]
Cn1ncnc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 Cn1ncnc1[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)N[*:1]
Cc1ccc(N(CCC#N)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1C N#CCC[*:1] Cc1ccc(cc1C)N(C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccccc1)[*:1]
Cc1ccc(N(CCC#N)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1C Cc1ccc(cc1C)[*:1] C[C@]1(NC(=O)N(CC(=O)N(CCC#N)[*:1])C1=O)c1ccccc1
Cc1ccc(N(CCC#N)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1C N#CC[*:1] Cc1ccc(cc1C)N(C[*:1])C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccccc1
Cc1ccc(N(CCC#N)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N(CCC#N)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
COc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3S(C)(=O)=O)c(Cl)nc2c1 Cc1ccc(cc1)[*:1] COc1ccc2cc(c(Cl)nc2c1)[C@H]1CC(=NN1S(C)(=O)=O)[*:1]
CCOC(=O)c1ccc[n+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)c1 CCOC(=O)[*:1] CC(C)c1ccccc1NC(=O)[C@H](C)[n+]1cccc(c1)[*:1]
CCOC(=O)c1ccc[n+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)c1 CC(C)[*:1] CCOC(=O)c1ccc[n+](c1)[C@@H](C)C(=O)Nc1ccccc1[*:1]
C[NH+](C)[C@@H]1CC[C@H](NCc2cc(-c3ccccc3)[nH]n2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NCc1cc([nH]n1)[*:1]
COc1ccc(-c2cc(CC3(NCc4ccco4)COC3)no2)cc1 COc1ccc(cc1)[*:1] c1coc(c1)CNC1(COC1)Cc1cc(on1)[*:1]
COc1ccc(-c2cc(CC3(NCc4ccco4)COC3)no2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)-c1cc(CC2(COC2)N[*:1])no1
COc1ccc(-c2cc(CC3(NCc4ccco4)COC3)no2)cc1 c1coc(c1)CN[*:1] COc1ccc(cc1)-c1cc(CC2(COC2)[*:1])no1
COc1ccc(-c2cc(CC3(NCc4ccco4)COC3)no2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-c1cc(CC2(COC2)NC[*:1])no1
CC(C)c1ccc(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)cc1 NC(=O)[*:1] CC(C)c1ccc(cc1)NC(=O)C(=O)NCc1cccc(c1)[*:1]
CC(C)c1ccc(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)cc1 CC(C)[*:1] NC(=O)c1cccc(c1)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
O=C(CCNc1ncnc2c1oc1ccccc12)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCNc1ncnc2c1oc1ccccc12)N[*:1]
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccnc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ncccc1NC(=O)C(=O)N[C@@H](C)[*:1]
Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccnc2C)cc1 Cc1ncccc1[*:1] Cc1ccc(cc1)[C@H](C)NC(=O)C(=O)N[*:1]
CN(CCOc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CCOc1ccccc1)C(=O)Cc1ccccc1[*:1]
CN(CCOc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] c1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)Cc1ccccc1[N+](=O)[O-]
CN(CCOc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)Cc1ccccc1[N+](=O)[O-]
Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc(-n3ccnn3)cc1)CC2 c1cn(nn1)[*:1] Cc1nc2CC[C@@H](Cn2n1)NC(=O)c1ccc(cc1)[*:1]
Cc1ccc2nc(C)c(C(=O)OCC(=O)Nc3cc(C)on3)cc2c1 Cc1cc(no1)[*:1] Cc1ccc2nc(C)c(cc2c1)C(=O)OCC(=O)N[*:1]
CC[C@H](C)c1ccc(OCC(=O)N/N=C(\C)c2ccco2)cc1 c1coc(c1)[*:1] CC[C@H](C)c1ccc(cc1)OCC(=O)NN=C(C)[*:1]
CC[C@H](C)c1ccc(OCC(=O)N/N=C(\C)c2ccco2)cc1 CC[C@H](C)[*:1] C/C(=N\NC(=O)COc1ccc(cc1)[*:1])c1ccco1
CC[C@H](c1ccncc1)N(CC)C(=O)c1cc([N+](=O)[O-])c(C)s1 c1cc(ccn1)[*:1] CC[C@H](N(CC)C(=O)c1cc(c(C)s1)[N+](=O)[O-])[*:1]
CC[C@H](c1ccncc1)N(CC)C(=O)c1cc([N+](=O)[O-])c(C)s1 O=[N+]([O-])[*:1] CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(c(C)s1)[*:1]
CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2c1CCN(C(C)=O)C2 c1ccc(cc1)[*:1] CCOC(=O)c1c(NC(=O)c2cc(nc3ccccc23)[*:1])sc2CN(CCc21)C(C)=O
CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2c1CCN(C(C)=O)C2 CCOC(=O)[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)c1cc(nc3ccccc13)-c1ccccc1)c2[*:1]
COCC(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)c(N)n2)CC1 O=C(NC1CCCC1)[*:1] COCC(=O)N1CCC(CC1)c1ccc(c(N)n1)[*:1]
COCC(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)c(N)n2)CC1 COC[*:1] Nc1nc(ccc1C(=O)NC1CCCC1)C1CCN(CC1)C(=O)[*:1]
COCC(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)c(N)n2)CC1 C1CCC(C1)[*:1] COCC(=O)N1CCC(CC1)c1ccc(C(=O)N[*:1])c(N)n1
Cc1nc(C)n(-c2ccccc2NC(=O)NC[C@@H](C)[S@@](C)=O)n1 Cc1nc(C)n(n1)[*:1] C[C@H](CNC(=O)Nc1ccccc1[*:1])[S@@](C)=O
Cc1nc2nc(N(Cc3ccc(Cl)cc3)C(=O)CC(C)C)nn2c([O-])c1Cc1ccccc1 CC(C)C[*:1] Cc1nc2nc(nn2c([O-])c1Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)[*:1]
Cc1nc2nc(N(Cc3ccc(Cl)cc3)C(=O)CC(C)C)nn2c([O-])c1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2nc(nn2c([O-])c1C[*:1])N(Cc1ccc(Cl)cc1)C(=O)CC(C)C
Cc1nc2nc(N(Cc3ccc(Cl)cc3)C(=O)CC(C)C)nn2c([O-])c1Cc1ccccc1 CC(C)[*:1] Cc1nc2nc(nn2c([O-])c1Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C[*:1]
Cc1nc2nc(N(Cc3ccc(Cl)cc3)C(=O)CC(C)C)nn2c([O-])c1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc2nc(nn2c([O-])c1[*:1])N(Cc1ccc(Cl)cc1)C(=O)CC(C)C
Cc1nc2nc(N(Cc3ccc(Cl)cc3)C(=O)CC(C)C)nn2c([O-])c1Cc1ccccc1 Clc1ccc(cc1)[*:1] Cc1nc2nc(nn2c([O-])c1Cc1ccccc1)N(C[*:1])C(=O)CC(C)C
Cc1nc2nc(N(Cc3ccc(Cl)cc3)C(=O)CC(C)C)nn2c([O-])c1Cc1ccccc1 Clc1ccc(cc1)C[*:1] Cc1nc2nc(nn2c([O-])c1Cc1ccccc1)N(C(=O)CC(C)C)[*:1]
CCn1ccc2cc(NC(=O)c3cccc(N4CCNC4=O)c3)ccc21 O=C1NCCN1[*:1] CCn1ccc2cc(ccc21)NC(=O)c1cccc(c1)[*:1]
C=CCN(CC(=O)[O-])C(=O)c1cc(-c2csc(C)n2)c[nH]1 C=CC[*:1] Cc1nc(cs1)-c1c[nH]c(c1)C(=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])C(=O)c1cc(-c2csc(C)n2)c[nH]1 O=C([O-])C[*:1] C=CCN(C(=O)c1cc(c[nH]1)-c1csc(C)n1)[*:1]
C=CCN(CC(=O)[O-])C(=O)c1cc(-c2csc(C)n2)c[nH]1 Cc1nc(cs1)[*:1] C=CCN(CC(=O)[O-])C(=O)c1cc(c[nH]1)[*:1]
C=CCN(CC(=O)[O-])C(=O)c1cc(-c2csc(C)n2)c[nH]1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)c1cc(c[nH]1)-c1csc(C)n1
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] CC(C)N(Cc1nnc(o1)-c1ccccc1Cl)C(=O)[*:1]
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1[N+](=O)[O-] Clc1ccccc1[*:1] CC(C)N(Cc1nnc(o1)[*:1])C(=O)c1ccccc1[N+](=O)[O-]
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)N(Cc1nnc(o1)-c1ccccc1Cl)C(=O)c1ccccc1[*:1]
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1[N+](=O)[O-] CC(C)[*:1] O=C(c1ccccc1[N+](=O)[O-])N(Cc1nnc(o1)-c1ccccc1Cl)[*:1]
Cc1cc(Br)cc(C)c1OCC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cc(Br)cc(C)c1OCC(=O)N1CCN(CC1)[*:1]
CC(C)[C@@H](CO)NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](CO)NC(=O)NC[C@H]1CCO[C@@H]1[*:1]
CC(C)[C@@H](CO)NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1 CC(C)[C@@H](CO)[*:1] O=C(NC[C@H]1CCO[C@H]1c1ccccc1)N[*:1]
CC(C)[C@@H](CO)NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1 CC(C)[*:1] O=C(NC[C@H]1CCO[C@H]1c1ccccc1)N[C@H](CO)[*:1]
CC(C)C(=O)c1ccccc1NC(=O)c1ccn(C2CCCC2)n1 C1CCC(C1)[*:1] CC(C)C(=O)c1ccccc1NC(=O)c1ccn(n1)[*:1]
CC(C)C(=O)c1ccccc1NC(=O)c1ccn(C2CCCC2)n1 CC(C)C(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccn(n1)C1CCCC1
CC(C)C(=O)c1ccccc1NC(=O)c1ccn(C2CCCC2)n1 CC(C)[*:1] O=C(Nc1ccccc1C(=O)[*:1])c1ccn(n1)C1CCCC1
O=C(c1ccccn1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 c1ccc(nc1)[*:1] O=C(N1CCC[C@@H](C1)c1nnc2CCCCCn21)[*:1]
CC[C@@H](C[NH2+]C(C)(C)C)c1cccc(Cl)c1 CC(C)(C)[*:1] CC[C@@H](C[NH2+][*:1])c1cccc(Cl)c1
CC(=O)Nc1ccc(C(=O)N2CCCSC[C@@H]2C[NH+]2CCCC2)cc1 CC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCCSC[C@@H]1C[NH+]1CCCC1
O=C(OCc1ccccn1)c1cccc(CS(=O)(=O)c2ccccc2)c1 c1ccc(nc1)[*:1] O=C(OC[*:1])c1cccc(c1)CS(=O)(=O)c1ccccc1
O=C(OCc1ccccn1)c1cccc(CS(=O)(=O)c2ccccc2)c1 c1ccc(C[*:1])nc1 O=C(O[*:1])c1cccc(c1)CS(=O)(=O)c1ccccc1
O=C(OCc1ccccn1)c1cccc(CS(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(OCc1ccccn1)c1cccc(c1)CS(=O)(=O)[*:1]
NS(=O)(=O)c1ccc(O[C@@H]2CCC[C@@H]([NH3+])C2)cc1 NS(=O)(=O)[*:1] [NH3+][C@@H]1CCC[C@H](C1)Oc1ccc(cc1)[*:1]
CS[C@H]1CCC[C@@H](NC(=O)N[C@@H](c2ccccn2)C(C)C)C1 c1ccc(nc1)[*:1] CS[C@H]1CCC[C@H](C1)NC(=O)N[C@@H](C(C)C)[*:1]
CS[C@H]1CCC[C@@H](NC(=O)N[C@@H](c2ccccn2)C(C)C)C1 CC(C)[*:1] CS[C@H]1CCC[C@H](C1)NC(=O)N[C@@H](c1ccccn1)[*:1]
CC(C)(C(=O)c1cccc(C(F)(F)F)c1)N1CCOCC1 FC(F)(F)[*:1] CC(C)(C(=O)c1cccc(c1)[*:1])N1CCOCC1
CC(C)(C(=O)c1cccc(C(F)(F)F)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)(C(=O)c1cccc(c1)C(F)(F)F)[*:1]
Nc1nc2n(n1)[C@@H](c1cccs1)C[C@@H](c1ccc(Cl)cc1Cl)N2 c1csc(c1)[*:1] Nc1nc2N[C@@H](C[C@H](n2n1)[*:1])c1ccc(Cl)cc1Cl
Cn1ncc2c(N3C[C@H](O)[C@@H]([NH+]4CCCC4)C3)nc(C(C)(C)C)nc21 CC(C)(C)[*:1] Cn1ncc2c(nc(nc21)[*:1])N1C[C@H](O)[C@H](C1)[NH+]1CCCC1
CCc1nn(CC)c(C[C@@]2(CC(C)C)CCC[NH2+]2)c1Br CC(C)C[*:1] CCc1nn(CC)c(C[C@]2(CCC[NH2+]2)[*:1])c1Br
CCc1nn(CC)c(C[C@@]2(CC(C)C)CCC[NH2+]2)c1Br CC(C)[*:1] CCc1nn(CC)c(C[C@]2(CCC[NH2+]2)C[*:1])c1Br
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] Cc1ccc(cc1[N+](=O)[O-])[*:1] O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1
O=C(NCCc1ccc(F)cc1)Nc1ccccc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(NCCc1ccc(F)cc1)Nc1ccccc1[*:1]
O=C(NCCc1ccc(F)cc1)Nc1ccccc1N1CCCCC1 Fc1ccc(cc1)C[*:1] O=C(NC[*:1])Nc1ccccc1N1CCCCC1
O=C(NCCc1ccc(F)cc1)Nc1ccccc1N1CCCCC1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])Nc1ccccc1N1CCCCC1
COc1ccc(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)cc1F CC(C)n1cnnc1[*:1] COc1ccc(cc1F)C(=O)N1CCC[C@@H](C1)[*:1]
COc1ccc(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)cc1F CC(C)[*:1] COc1ccc(cc1F)C(=O)N1CCC[C@H](C1)c1nncn1[*:1]
CCc1cc([C@@H]2CCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)on1 CCc1cc(on1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@H]1[*:1]
CCc1cc([C@@H]2CCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)on1 Clc1ccccc1[*:1] CCc1cc(on1)[C@@H]1CCCN1C(=O)c1c(noc1C)[*:1]
CNC(=S)N(Cc1cccnc1)C1CCCC1 C1CCC(C1)[*:1] CNC(=S)N(Cc1cccnc1)[*:1]
CCc1nn(C)cc1CNC(=O)c1cn(CCC(C)C)nn1 CC(C)C[*:1] CCc1nn(C)cc1CNC(=O)c1cn(C[*:1])nn1
CCc1nn(C)cc1CNC(=O)c1cn(CCC(C)C)nn1 CC(C)[*:1] CCc1nn(C)cc1CNC(=O)c1cn(CC[*:1])nn1
CCc1nn(C)cc1CNC(=O)c1cn(CCC(C)C)nn1 CC(C)CC[*:1] CCc1nn(C)cc1CNC(=O)c1cn(nn1)[*:1]
COC(=O)[C@]1(NCC(C)C)CCCS[C@H]1C CC(C)C[*:1] COC(=O)[C@@]1(CCCS[C@H]1C)N[*:1]
COC(=O)[C@]1(NCC(C)C)CCCS[C@H]1C CC(C)CN[*:1] COC(=O)[C@@]1(CCCS[C@H]1C)[*:1]
COC(=O)[C@]1(NCC(C)C)CCCS[C@H]1C CC(C)[*:1] COC(=O)[C@@]1(CCCS[C@H]1C)NC[*:1]
COC(=O)[C@]1(NCC(C)C)CCCS[C@H]1C COC(=O)[*:1] CC(C)CN[C@@]1(CCCS[C@H]1C)[*:1]
CCOc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)c(C)c2)cc1 CCO[*:1] Cc1cc(ccc1S(N)(=O)=O)NC(=O)Cc1ccc(cc1)[*:1]
CCOc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)c(C)c2)cc1 NS(=O)(=O)[*:1] CCOc1ccc(cc1)CC(=O)Nc1ccc(c(C)c1)[*:1]
CCOc1cc2c(cc1NC(=O)[C@@H]1Cc3ccccc3O1)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)NC(=O)[C@@H]1Cc2ccccc2O1)[*:1]
Cc1nonc1CSCC(=O)[O-] O=C([O-])[*:1] Cc1nonc1CSC[*:1]
Cc1nonc1CSCC(=O)[O-] O=C([O-])C[*:1] Cc1nonc1CS[*:1]
CCCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)[nH]c(C)c1C(C)=O CCC[*:1] CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(cc2)S(C)(=O)=O)c1[*:1]
CCCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)[nH]c(C)c1C(C)=O CS(=O)(=O)[*:1] CCCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1ccc(cc1)[*:1]
CCCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCCc1c([nH]c(C)c1[*:1])C(=O)Nc1ccc(cc1)S(C)(=O)=O
C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccco1 C[C@@H](c1ccco1)[*:1] O=C(Cn1nnc2ccccc2c1=O)N[*:1]
C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)[*:1]
O=C(Cn1ccc(-c2ccco2)n1)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] O=C(Cn1ccc(n1)-c1ccco1)Nc1ccn(n1)[*:1]
O=C(Cn1ccc(-c2ccco2)n1)Nc1ccn(Cc2ccccc2)n1 c1ccc(cc1)[*:1] O=C(Cn1ccc(n1)-c1ccco1)Nc1ccn(C[*:1])n1
O=C(Cn1ccc(-c2ccco2)n1)Nc1ccn(Cc2ccccc2)n1 c1coc(c1)[*:1] O=C(Cn1ccc(n1)[*:1])Nc1ccn(Cc2ccccc2)n1
O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(NCc1ccccc1C[NH+]1CCCCC1)[*:1]
Cc1ccc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)s1 Cc1ccc(s1)[*:1] O=C(CSc1ncnc2sc3CCCCc3c12)[*:1]
Cc1ccnn1CCC(=O)N1CCCC[C@@H]1c1ccnc2cc(C(C)(C)C)nn12 CC(C)(C)[*:1] Cc1ccnn1CCC(=O)N1CCCC[C@@H]1c1ccnc2cc(nn12)[*:1]
Cc1ccnn1CCC(=O)N1CCCC[C@@H]1c1ccnc2cc(C(C)(C)C)nn12 Cc1ccnn1[*:1] CC(C)(C)c1cc2nccc([C@H]3CCCCN3C(=O)CC[*:1])n2n1
Cc1ccnn1CCC(=O)N1CCCC[C@@H]1c1ccnc2cc(C(C)(C)C)nn12 Cc1ccnn1CC[*:1] CC(C)(C)c1cc2nccc([C@H]3CCCCN3C(=O)[*:1])n2n1
Cc1ccnn1CCC(=O)N1CCCC[C@@H]1c1ccnc2cc(C(C)(C)C)nn12 Cc1ccnn1C[*:1] CC(C)(C)c1cc2nccc([C@H]3CCCCN3C(=O)C[*:1])n2n1
CCc1ccc(S(=O)(=O)Nc2ccnn2[C@@H](C)CC)cc1 CC[C@H](C)[*:1] CCc1ccc(cc1)S(=O)(=O)Nc1ccnn1[*:1]
CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 CCN(CC)C(=O)[*:1] O=S(=O)(c1cccc(c1)C(F)(F)F)N1CCC(CC1)[*:1]
CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
CCOCc1c(C(=O)Nc2cc3c(cc2Cl)OCO3)oc2ccccc12 CCOC[*:1] O=C(Nc1cc2OCOc2cc1Cl)c1oc2ccccc2c1[*:1]
CCOCc1c(C(=O)Nc2cc3c(cc2Cl)OCO3)oc2ccccc12 CCO[*:1] O=C(Nc1cc2OCOc2cc1Cl)c1oc2ccccc2c1C[*:1]
COCC[C@@H](C)Nc1nc(Br)cs1 COC[*:1] C[C@H](C[*:1])Nc1nc(Br)cs1
COCC[C@@H](C)Nc1nc(Br)cs1 COCC[*:1] C[C@@H](Nc1nc(Br)cs1)[*:1]
CNC(=O)NC(=O)[C@H](Sc1ccc(C)cn1)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@H](Sc1ccc(C)cn1)[*:1]
CNC(=O)NC(=O)[C@H](Sc1ccc(C)cn1)c1ccccc1 CNC(=O)NC(=O)[*:1] Cc1ccc(nc1)S[C@H](c1ccccc1)[*:1]
CNC(=O)NC(=O)[C@H](Sc1ccc(C)cn1)c1ccccc1 Cc1ccc(nc1)[*:1] CNC(=O)NC(=O)[C@H](S[*:1])c1ccccc1
CC(=O)Nc1ccc(OCC(=O)c2cccs2)cc1 CC(=O)N[*:1] O=C(COc1ccc(cc1)[*:1])c1cccs1
CC(=O)Nc1ccc(OCC(=O)c2cccs2)cc1 c1csc(c1)[*:1] CC(=O)Nc1ccc(cc1)OCC(=O)[*:1]
C[C@H](O)C[C@@H](C)CNc1cc(-n2cccn2)nc(N)n1 C[C@H](O)C[*:1] C[C@@H](CNc1cc(nc(N)n1)-n1cccn1)[*:1]
C[C@H](O)C[C@@H](C)CNc1cc(-n2cccn2)nc(N)n1 C[C@H](O)[*:1] C[C@@H](CNc1cc(nc(N)n1)-n1cccn1)C[*:1]
C[C@H](O)C[C@@H](C)CNc1cc(-n2cccn2)nc(N)n1 c1cnn(c1)[*:1] C[C@H](O)C[C@@H](C)CNc1cc(nc(N)n1)[*:1]
CCn1cc(C(=O)O[C@H](C)c2ccccn2)c(C(C)C)n1 c1ccc(nc1)[*:1] CCn1cc(C(=O)O[C@H](C)[*:1])c(n1)C(C)C
CCn1cc(C(=O)O[C@H](C)c2ccccn2)c(C(C)C)n1 CC(C)[*:1] CCn1cc(C(=O)O[C@H](C)c2ccccn2)c(n1)[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C c1ccc(cc1)C[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H]([NH+](C)C)[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H](C[*:1])[NH+](C)C
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cccnc2C)o1 Cc1nnc(o1)[*:1] Cc1ncccc1CN1Cc2ccccc2C[C@@H]1[*:1]
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cccnc2C)o1 Cc1ncccc1C[*:1] Cc1nnc(o1)[C@H]1Cc2ccccc2CN1[*:1]
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cccnc2C)o1 Cc1ncccc1[*:1] Cc1nnc(o1)[C@H]1Cc2ccccc2CN1C[*:1]
C#CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1 C#CCC[*:1] COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(cc1)O[*:1]
C#CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1 C#CC[*:1] COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(cc1)OC[*:1]
C#CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1 COc1ccccc1[*:1] C#CCCOc1ccc(/C=C(/C#N)C(=O)N[*:1])cc1
C#CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1 C#CCCO[*:1] COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1cccc(c1)CC[NH+]1CCCC1
Cc1ccc([C@H](C)NC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)o1 Cc1ccc(o1)[C@H](C)[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)N[*:1]
Cc1ccc([C@H](C)NC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
Cc1cccc(CCNC(=O)N[C@H]2CCC[C@@H]2C(N)=O)c1 NC(=O)[*:1] Cc1cccc(c1)CCNC(=O)N[C@H]1CCC[C@H]1[*:1]
Cc1cccc(CCNC(=O)N[C@H]2CCC[C@@H]2C(N)=O)c1 Cc1cccc(c1)[*:1] NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCC[*:1]
CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)cc(Br)c1OC CCOC(=O)[*:1] COc1c(Br)cc(Cl)cc1[C@@H]1NC(=O)N(C)C(C)=C1[*:1]
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc2c(c1)OCO2 COC(=O)[*:1] C[C@@H]1CC2Nc3ccccc3N[C@@H](C=2C(=O)[C@H]1[*:1])c1ccc2OCOc2c1
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2[*:1]
CNc1cc(C)[nH+]c([C@@]2(C)CCCN2C(=O)c2cncs2)n1 c1ncc(s1)[*:1] CNc1cc(C)[nH+]c(n1)[C@@]1(C)CCCN1C(=O)[*:1]
CNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O CNC(=O)C[*:1] Cc1c(Cl)cccc1N(S(C)(=O)=O)[*:1]
CNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O CNC(=O)[*:1] Cc1c(Cl)cccc1N(C[*:1])S(C)(=O)=O
CCOC(=O)c1sc2nn[nH]c(=O)c2c1C CCOC(=O)[*:1] Cc1c(sc2nn[nH]c(=O)c12)[*:1]
C[C@H]1CCC[C@H](NC(=O)C[C@@H]2CCCO2)[C@@H]1C C1CO[C@@H](C1)[*:1] C[C@H]1CCC[C@H](NC(=O)C[*:1])[C@@H]1C
CN(C)C(=O)C1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 c1ccc(cc1)[*:1] CN(C)C(=O)C1CC[NH+](CC1)Cc1cccc(c1)C(=O)N[*:1]
CN(C)C(=O)C1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 O=C(Nc1ccccc1)[*:1] CN(C)C(=O)C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
CN(C)C(=O)C1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 CN(C)C(=O)[*:1] O=C(Nc1ccccc1)c1cccc(c1)C[NH+]1CCC(CC1)[*:1]
Cc1ccccc1C(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] Cc1ccccc1C(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1C(=O)Nc1cccc(OC(F)(F)F)c1 Cc1ccccc1[*:1] O=C(Nc1cccc(c1)OC(F)(F)F)[*:1]
Cc1ccccc1C(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccccc1C(=O)Nc1cccc(c1)O[*:1]
CCOC(=O)[C@@H]1CNCCN1S(=O)(=O)c1cn(CC)cn1 CCOC(=O)[*:1] CCn1cnc(c1)S(=O)(=O)N1CCNC[C@H]1[*:1]
CCOC(=O)[C@@H]1CNCCN1S(=O)(=O)c1cn(CC)cn1 CCn1cnc(c1)[*:1] CCOC(=O)[C@@H]1CNCCN1S(=O)(=O)[*:1]
COc1cccc([C@@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)N2CCCCC2)c1 c1csc(c1)[*:1] COc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)N1CCCCC1)C(=O)[*:1]
COc1cccc([C@@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)N2CCCCC2)c1 COc1cccc(c1)[*:1] O=C(c1cccs1)N1C[C@@H](C(=O)N2CCCCC2)[C@@H](C1)[*:1]
COc1cccc([C@@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] COc1cccc(c1)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1cccs1
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(O)n[nH]c1C Cc1[nH]nc(O)c1[*:1] COC(=O)C[C@H](c1ccc(cc1)C(=O)[O-])[*:1]
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(O)n[nH]c1C O=C([O-])[*:1] COC(=O)C[C@H](c1ccc(cc1)[*:1])c1c(O)n[nH]c1C
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(O)n[nH]c1C COC(=O)C[*:1] Cc1[nH]nc(O)c1[C@@H](c1ccc(cc1)C(=O)[O-])[*:1]
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(O)n[nH]c1C COC(=O)[*:1] Cc1[nH]nc(O)c1[C@H](C[*:1])c1ccc(cc1)C(=O)[O-]
CCCC(=O)c1cn(CC(=O)N2CCOC[C@@H](CO)C2)c2ccccc12 CCCC(=O)[*:1] O=C(Cn1cc(c2ccccc21)[*:1])N1CCOC[C@@H](CO)C1
CCCC(=O)c1cn(CC(=O)N2CCOC[C@@H](CO)C2)c2ccccc12 CCC[*:1] O=C(Cn1cc(C(=O)[*:1])c2ccccc21)N1CCOC[C@@H](CO)C1
CC(C)[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1 N#Cc1ncn(n1)[*:1] CC(C)[C@@H](NC(=O)C[*:1])c1ccccc1
CC(C)[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1 CC(C)[*:1] N#Cc1ncn(CC(=O)N[C@@H](c2ccccc2)[*:1])n1
CC(C)[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)Cn1cnc(C#N)n1)[*:1]
CCOC(=O)c1nc(COCC[NH3+])n[n-]1 CCOC(=O)[*:1] [NH3+]CCOCc1n[n-]c(n1)[*:1]
CCOC(=O)c1nc(COCC[NH3+])n[n-]1 [NH3+]CC[*:1] CCOC(=O)c1nc(CO[*:1])n[n-]1
CCOC(=O)c1nc(COCC[NH3+])n[n-]1 [NH3+]CCO[*:1] CCOC(=O)c1nc(C[*:1])n[n-]1
CCOC(=O)c1nc(COCC[NH3+])n[n-]1 [NH3+]CCOC[*:1] CCOC(=O)c1nc(n[n-]1)[*:1]
CCn1cc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cn1 CCn1cc(cn1)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
C=CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O FC(F)[*:1] C=CCNC(=O)N[C@@H]1CCCN(C1=O)c1ccc(cc1)O[*:1]
C=CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O C=CC[*:1] O=C(N[C@@H]1CCCN(C1=O)c1ccc(cc1)OC(F)F)N[*:1]
C=CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O C=CCNC(=O)N[*:1] O=C1[C@@H](CCCN1c1ccc(cc1)OC(F)F)[*:1]
C=CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O FC(F)O[*:1] C=CCNC(=O)N[C@@H]1CCCN(C1=O)c1ccc(cc1)[*:1]
Cc1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)c1 Cc1cccc(c1)[*:1] O=C(COC(=O)[*:1])NCc1ccc(F)cc1F
C[C@H](NC(=O)c1ccc(F)nc1)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)c1ccc(F)nc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)c1ccc(F)nc1)c1ccc(-n2cncn2)cc1 Fc1ccc(cn1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-n1cncn1
Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc3ccc(F)cc3s2)n1 c1ccc2oc(cc2c1)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc2ccc(F)cc2s1
N/C(=[NH+]/C[C@@H](O)c1cccc(F)c1)N1CCN(c2nccs2)CC1 Fc1cccc(c1)[*:1] N/C(=[NH+]/C[C@@H](O)[*:1])N1CCN(CC1)c1nccs1
N/C(=[NH+]/C[C@@H](O)c1cccc(F)c1)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] N/C(=[NH+]/C[C@@H](O)c1cccc(F)c1)N1CCN(CC1)[*:1]
C[NH2+][C@@H](CCc1cc(F)cc(Br)c1)c1ccccc1 c1ccc(cc1)[*:1] C[NH2+][C@@H](CCc1cc(F)cc(Br)c1)[*:1]
O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(OC(F)F)c1 C1CO[C@H](C1)[*:1] O=C(N[C@H](c1ccc(F)cc1)[*:1])c1cccc(c1)OC(F)F
O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(OC(F)F)c1 FC(F)[*:1] O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(c1)O[*:1]
O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(OC(F)F)c1 Fc1ccc(cc1)[*:1] O=C(N[C@H]([C@H]1CCCO1)[*:1])c1cccc(c1)OC(F)F
O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(OC(F)F)c1 FC(F)O[*:1] O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(c1)[*:1]
COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)Cc1c(C)noc1C)CC2 Cc1noc(C)c1C[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)N[C@H](C)[*:1]
COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)Cc1c(C)noc1C)CC2 Cc1noc(C)c1[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)N[C@H](C)C[*:1]
CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)CO)CC1 CC1CCN(CC1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2C[C@H](O)CO)[*:1]
CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)CO)CC1 OC[C@@H](O)C[*:1] CC1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
CCN(C)C(=O)Nc1cccc(OC(F)F)c1 FC(F)O[*:1] CCN(C)C(=O)Nc1cccc(c1)[*:1]
CCN(C)C(=O)Nc1cccc(OC(F)F)c1 FC(F)[*:1] CCN(C)C(=O)Nc1cccc(c1)O[*:1]
CCC[C@H](Br)CC[C@H]1CCO[C@]2(CCOC2)C1 CCC[C@H](Br)[*:1] C1C[C@]2(CO1)C[C@H](CCO2)CC[*:1]
CCC[C@H](Br)CC[C@H]1CCO[C@]2(CCOC2)C1 CCC[*:1] Br[C@H](CC[C@H]1CCO[C@]2(CCOC2)C1)[*:1]
CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/Nc1cccc(Cl)c1C C1CO[C@@H](C1)[*:1] CC1=C(C#N)C(=O)N(C[*:1])C(=O)/C1=C/Nc1cccc(Cl)c1C
CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/Nc1cccc(Cl)c1C C1CO[C@@H](C1)C[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C/Nc1cccc(Cl)c1C)[*:1]
CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/Nc1cccc(Cl)c1C Cc1c(Cl)cccc1[*:1] CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/N[*:1]
CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/Nc1cccc(Cl)c1C Cc1c(Cl)cccc1N[*:1] CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=C[*:1]
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1F O=C([O-])[*:1] COc1c(Cl)cc(cc1NC(=S)NC(=O)c1ccccc1F)[*:1]
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1F Fc1ccccc1[*:1] COc1c(Cl)cc(cc1NC(=S)NC(=O)[*:1])C(=O)[O-]
Cc1noc(COCC(=O)N(Cc2cccnc2)c2ccc(F)cc2)n1 c1cncc(c1)C[*:1] Cc1noc(COCC(=O)N(c2ccc(F)cc2)[*:1])n1
Cc1noc(COCC(=O)N(Cc2cccnc2)c2ccc(F)cc2)n1 Cc1noc(C[*:1])n1 O=C(CO[*:1])N(Cc1cccnc1)c1ccc(F)cc1
Cc1noc(COCC(=O)N(Cc2cccnc2)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1noc(COCC(=O)N(Cc2cccnc2)[*:1])n1
Cc1noc(COCC(=O)N(Cc2cccnc2)c2ccc(F)cc2)n1 Cc1noc(CO[*:1])n1 O=C(C[*:1])N(Cc1cccnc1)c1ccc(F)cc1
Cc1noc(COCC(=O)N(Cc2cccnc2)c2ccc(F)cc2)n1 Cc1noc(n1)[*:1] O=C(COC[*:1])N(Cc1cccnc1)c1ccc(F)cc1
Cc1noc(COCC(=O)N(Cc2cccnc2)c2ccc(F)cc2)n1 c1cncc(c1)[*:1] Cc1noc(COCC(=O)N(C[*:1])c2ccc(F)cc2)n1
COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)cc(OC)c1OC O=C(N1CCOCC1)[*:1] COc1cc(C=C(C#N)[*:1])cc(OC)c1OC
O=S(=O)(Cc1ccc(F)cc1F)c1nnc(N2CCCC2)s1 C1CCN(C1)[*:1] O=S(=O)(Cc1ccc(F)cc1F)c1nnc(s1)[*:1]
CC[C@](C)(NC(=O)Nc1cccnc1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)Nc1cccnc1)[*:1]
COCC[NH2+]CCN1CCOCC1 COCC[*:1] C(CN1CCOCC1)[NH2+][*:1]
COCC[NH2+]CCN1CCOCC1 COC[*:1] C(CN1CCOCC1)[NH2+]C[*:1]
C[C@@H](CC(=O)[C@H](C#N)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)[C@H](C#N)c1nc(N)nc(n1)N[*:1])c1ccccc1
C[C@@H](CC(=O)[C@H](C#N)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] N#C[C@@H](C(=O)C[*:1])c1nc(N)nc(n1)Nc1ccccc1
C[C@@H](CC(=O)[C@H](C#N)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1 c1ccc(cc1)N[*:1] C[C@@H](CC(=O)[C@H](C#N)c1nc(N)nc(n1)[*:1])c1ccccc1
C[C@@H](CC(=O)[C@H](C#N)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1 C[C@@H](C[*:1])c1ccccc1 N#C[C@@H](C(=O)[*:1])c1nc(N)nc(n1)Nc1ccccc1
C[C@@H](CC(=O)[C@H](C#N)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)[C@H](C#N)c1nc(N)nc(n1)Nc1ccccc1)[*:1]
CCC1(CC)CCN(C(=O)C(C)(C)C)C1 CC(C)(C)[*:1] CCC1(CC)CCN(C1)C(=O)[*:1]
Cn1c(=O)c2c(nc(N/N=C\c3ccc(Br)cc3)n2Cc2ccc(F)cc2)n(C)c1=O Brc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(NN=C[*:1])n2Cc2ccc(F)cc2)n(C)c1=O
Cn1c(=O)c2c(nc(N/N=C\c3ccc(Br)cc3)n2Cc2ccc(F)cc2)n(C)c1=O Brc1ccc(/C=N\N[*:1])cc1 Cn1c(=O)c2c(nc(n2Cc2ccc(F)cc2)[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N/N=C\c3ccc(Br)cc3)n2Cc2ccc(F)cc2)n(C)c1=O Fc1ccc(cc1)C[*:1] Cn1c(=O)c2c(nc(N/N=C\c3ccc(Br)cc3)n2[*:1])n(C)c1=O
Cn1c(=O)c2c(nc(N/N=C\c3ccc(Br)cc3)n2Cc2ccc(F)cc2)n(C)c1=O Fc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(N/N=C\c3ccc(Br)cc3)n2C[*:1])n(C)c1=O
COc1cccc(S(=O)(=O)[C@]2(C(=O)[O-])CCC[C@@H]2C)c1 O=C([O-])[*:1] COc1cccc(c1)S(=O)(=O)[C@@]1(CCC[C@@H]1C)[*:1]
COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 Cc1n[nH]c(C)c1[*:1] COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 COc1ccc(Cl)cc1[*:1] Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CC(=O)NCCNC(=O)c1ccc[nH]c1=O CC(=O)NC[*:1] O=C(NC[*:1])c1ccc[nH]c1=O
CC(=O)NCCNC(=O)c1ccc[nH]c1=O CC(=O)N[*:1] O=C(NCC[*:1])c1ccc[nH]c1=O
C[C@H](OCC(F)(F)F)C(=O)N[C@H]1CCCc2ccc(F)cc21 FC(F)(F)C[*:1] C[C@H](O[*:1])C(=O)N[C@H]1CCCc2ccc(F)cc21
C[C@H](OCC(F)(F)F)C(=O)N[C@H]1CCCc2ccc(F)cc21 FC(F)(F)[*:1] C[C@H](OC[*:1])C(=O)N[C@H]1CCCc2ccc(F)cc21
C[C@H](OCC(F)(F)F)C(=O)N[C@H]1CCCc2ccc(F)cc21 FC(F)(F)CO[*:1] C[C@H](C(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
C[NH2+]C[C@H](C)C(=O)Nc1nnc(C2CC2)o1 C1CC1[*:1] C[NH2+]C[C@H](C)C(=O)Nc1nnc(o1)[*:1]
CCC(=O)Nc1ccc(C(=O)Nc2nnc(C[C@H](C)c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] CCC(=O)Nc1ccc(cc1)C(=O)Nc1nnc(C[C@H](C)[*:1])s1
CCC(=O)Nc1ccc(C(=O)Nc2nnc(C[C@H](C)c3ccccc3)s2)cc1 C[C@@H](C[*:1])c1ccccc1 CCC(=O)Nc1ccc(cc1)C(=O)Nc1nnc(s1)[*:1]
CCC(=O)Nc1ccc(C(=O)Nc2nnc(C[C@H](C)c3ccccc3)s2)cc1 CCC(=O)N[*:1] C[C@@H](Cc1nnc(NC(=O)c2ccc(cc2)[*:1])s1)c1ccccc1
Cc1nc(C(=O)N2CCCN(Cc3nccn3C)CC2)cs1 Cc1nc(cs1)[*:1] Cn1ccnc1CN1CCCN(CC1)C(=O)[*:1]
Cc1nc(C(=O)N2CCCN(Cc3nccn3C)CC2)cs1 Cn1ccnc1[*:1] Cc1nc(cs1)C(=O)N1CCCN(CC1)C[*:1]
Cc1nc(C(=O)N2CCCN(Cc3nccn3C)CC2)cs1 Cn1ccnc1C[*:1] Cc1nc(cs1)C(=O)N1CCCN(CC1)[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 CC(C)(C)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CSc1nnc(-c2ccc(cc2)[*:1])n1N
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)-c1nnc(SCC(=O)N[*:1])n1N
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 CC(=O)N[*:1] CC(C)(C)c1ccc(cc1)-c1nnc(SCC(=O)Nc2ccc(cc2)[*:1])n1N
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 CC(C)(C)c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CSc1nnc(n1N)[*:1]
CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(C(F)(F)F)c3)CN2C1=O CC(C)C[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N[C@H]1C[C@H]2C(=O)N[C@H](C(=O)N2C1)[*:1]
CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(C(F)(F)F)c3)CN2C1=O CC(C)[*:1] O=C(Nc1cccc(c1)C(F)(F)F)N[C@H]1C[C@H]2C(=O)N[C@@H](C[*:1])C(=O)N2C1
CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(C(F)(F)F)c3)CN2C1=O FC(F)(F)[*:1] CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C1=O)NC(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1NC(=O)C(=O)NCCCN(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C(=O)NCCCN(C)[*:1]
Cc1ccccc1NC(=O)C(=O)NCCCN(C)c1ccccc1 Cc1ccccc1[*:1] CN(CCCNC(=O)C(=O)N[*:1])c1ccccc1
Cc1ccccc1NC(=O)C(=O)NCCCN(C)c1ccccc1 CN(c1ccccc1)[*:1] Cc1ccccc1NC(=O)C(=O)NCCC[*:1]
C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)CS(C)(=O)=O C=CC[*:1] C=CC[C@H]1C=C(C)C[C@H](N1C(=O)CS(C)(=O)=O)[*:1]
C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)CS(C)(=O)=O CS(=O)(=O)C[*:1] C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)[*:1]
C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)CS(C)(=O)=O C=CC[*:1] C=CC[C@H]1CC(C)=C[C@@H](N1C(=O)CS(C)(=O)=O)[*:1]
C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)CS(C)(=O)=O CS(=O)(=O)[*:1] C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)C[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)cc1 CC(=O)[*:1] Cc1nc2cc(ccc2o1)N[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)c([N+](=O)[O-])c1 Fc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CSc2nnnn2[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)c(c1)[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)Cc1cccc(C#N)c1 O=C([O-])[*:1] C[C@H]1[C@@H](CCN1S(=O)(=O)Cc1cccc(C#N)c1)[*:1]
Cc1nc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)sc1-c1nccn1C(F)F FC(F)n1ccnc1[*:1] Cc1nc(NC(=O)c2ccc(c(c2)[N+](=O)[O-])C(C)(C)C)sc1[*:1]
Cc1nc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)sc1-c1nccn1C(F)F FC(F)[*:1] Cc1nc(NC(=O)c2ccc(c(c2)[N+](=O)[O-])C(C)(C)C)sc1-c1nccn1[*:1]
Cc1nc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)sc1-c1nccn1C(F)F O=[N+]([O-])[*:1] Cc1nc(NC(=O)c2ccc(c(c2)[*:1])C(C)(C)C)sc1-c1nccn1C(F)F
Cc1nc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)sc1-c1nccn1C(F)F CC(C)(C)[*:1] Cc1nc(NC(=O)c2ccc(c(c2)[N+](=O)[O-])[*:1])sc1-c1nccn1C(F)F
O=S(=O)(NCCC[NH+]1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCCC[NH+]1CCOCC1)[*:1]
Cc1nnc(NC(=O)N[C@@H]2CCCc3ccccc32)s1 Cc1nnc(s1)[*:1] O=C(N[C@@H]1CCCc2ccccc21)N[*:1]
CN(CC(=O)N1CCC(OCc2cccnc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)N1CCC(CC1)OCc1cccnc1)[*:1]
CN(CC(=O)N1CCC(OCc2cccnc2)CC1)c1ccccc1 CN(c1ccccc1)[*:1] O=C(C[*:1])N1CCC(CC1)OCc1cccnc1
CN(CC(=O)N1CCC(OCc2cccnc2)CC1)c1ccccc1 c1cncc(c1)CO[*:1] CN(CC(=O)N1CCC(CC1)[*:1])c1ccccc1
CN(CC(=O)N1CCC(OCc2cccnc2)CC1)c1ccccc1 c1cncc(c1)[*:1] CN(CC(=O)N1CCC(CC1)OC[*:1])c1ccccc1
CN(CC(=O)N1CCC(OCc2cccnc2)CC1)c1ccccc1 c1cncc(c1)C[*:1] CN(CC(=O)N1CCC(CC1)O[*:1])c1ccccc1
Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC(C(N)=O)CC4)o3)o2)cc1C Cc1ccc(cc1C)O[*:1] N#Cc1nc(oc1N1CCC(CC1)C(N)=O)-c1ccc(C[*:1])o1
Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC(C(N)=O)CC4)o3)o2)cc1C NC(=O)C1CCN(CC1)[*:1] Cc1ccc(cc1C)OCc1ccc(o1)-c1nc(C#N)c(o1)[*:1]
Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC(C(N)=O)CC4)o3)o2)cc1C NC(=O)[*:1] Cc1ccc(cc1C)OCc1ccc(o1)-c1nc(C#N)c(o1)N1CCC(CC1)[*:1]
Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC(C(N)=O)CC4)o3)o2)cc1C Cc1ccc(cc1C)OC[*:1] N#Cc1nc(oc1N1CCC(CC1)C(N)=O)-c1ccc(o1)[*:1]
Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC(C(N)=O)CC4)o3)o2)cc1C Cc1ccc(cc1C)[*:1] N#Cc1nc(oc1N1CCC(CC1)C(N)=O)-c1ccc(CO[*:1])o1
O=C([O-])COC[C@@H]1CCCN1C(F)(F)F O=C([O-])[*:1] FC(F)(F)N1CCC[C@H]1COC[*:1]
O=C([O-])COC[C@@H]1CCCN1C(F)(F)F O=C([O-])C[*:1] FC(F)(F)N1CCC[C@H]1CO[*:1]
O=C([O-])COC[C@@H]1CCCN1C(F)(F)F O=C([O-])CO[*:1] FC(F)(F)N1CCC[C@H]1C[*:1]
O=C([O-])COC[C@@H]1CCCN1C(F)(F)F FC(F)(F)[*:1] O=C([O-])COC[C@@H]1CCCN1[*:1]
O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 O=[N+]([O-])[*:1] c1ccc(cc1)C1C[C@H]2c3ccccc3O[C@@H](c3cccc(c3)[*:1])N2N=1
O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 O=[N+]([O-])c1cccc(c1)[*:1] c1ccc(cc1)C1C[C@H]2c3ccccc3O[C@H](N2N=1)[*:1]
O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)[C@@H]1Oc2ccccc2[C@@H]2CC(=NN21)[*:1]
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCC#N N#CCC[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[*:1]
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCC#N N#CC[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[*:1]
CCOc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1F Fc1ccc(cc1)[*:1] CCOc1ccc(cc1F)NC(=O)N1CCO[C@H](C1)[*:1]
CCOc1ccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1F CCO[*:1] O=C(Nc1ccc(c(F)c1)[*:1])N1CCO[C@@H](C1)c1ccc(F)cc1
CCS[C@H]1CCCC[C@@H]1NC(=O)NCC[C@@H](C)O C[C@@H](O)[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)NCC[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)NCC[C@@H](C)O CCS[*:1] C[C@@H](O)CCNC(=O)N[C@H]1CCCC[C@@H]1[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)NCC[C@@H](C)O C[C@@H](O)CC[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)N[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)NCC[C@@H](C)O C[C@@H](O)C[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)NC[*:1]
O=S(=O)(Nc1ccc(Oc2ccncc2)cc1)c1ccc(F)cc1F c1cc(ccn1)[*:1] O=S(=O)(Nc1ccc(cc1)O[*:1])c1ccc(F)cc1F
O=S(=O)(Nc1ccc(Oc2ccncc2)cc1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=S(=O)(Nc1ccc(cc1)Oc1ccncc1)[*:1]
O=S(=O)(Nc1ccc(Oc2ccncc2)cc1)c1ccc(F)cc1F c1cc(ccn1)O[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc(F)cc1F
O=S(=O)(c1ccc(F)cc1F)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=S(=O)(c1ccc(F)cc1F)N1CCC(O)(CC1)[*:1]
CCCOC(=O)c1ccc(NC(=O)c2snnc2CC)cc1 CCCOC(=O)[*:1] CCc1nnsc1C(=O)Nc1ccc(cc1)[*:1]
CCCOC(=O)c1ccc(NC(=O)c2snnc2CC)cc1 CCC[*:1] CCc1nnsc1C(=O)Nc1ccc(cc1)C(=O)O[*:1]
CCCOC(=O)c1ccc(NC(=O)c2snnc2CC)cc1 CCc1nnsc1[*:1] CCCOC(=O)c1ccc(cc1)NC(=O)[*:1]
N#Cc1ccc(C[NH+](CC(F)F)C2CC2)o1 C1CC1[*:1] N#Cc1ccc(C[NH+](CC(F)F)[*:1])o1
N#Cc1ccc(C[NH+](CC(F)F)C2CC2)o1 FC(F)C[*:1] N#Cc1ccc(C[NH+](C2CC2)[*:1])o1
N#Cc1ccc(C[NH+](CC(F)F)C2CC2)o1 FC(F)[*:1] N#Cc1ccc(C[NH+](C[*:1])C2CC2)o1
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1 Cc1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(C1)S(=O)(=O)c1ccccc1[*:1]
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1 O=[N+]([O-])c1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(C1)S(=O)(=O)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2cccs2)C1 CCOC(=O)[*:1] O=C(NCC(=O)N1CCC[C@H](C1)[*:1])c1cccs1
CCOC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2cccs2)C1 c1csc(c1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)CNC(=O)[*:1]
O=C(Nc1ccc(F)nc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 Fc1ccc(cn1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nnc2CCCCCn21
O=C(NCC(=O)N(Cc1ccccc1)C1CC1)c1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] O=C(NCC(=O)N(C1CC1)[*:1])c1ccc2OCOc2c1
O=C(NCC(=O)N(Cc1ccccc1)C1CC1)c1ccc2c(c1)OCO2 C1CC1[*:1] O=C(NCC(=O)N(Cc1ccccc1)[*:1])c1ccc2OCOc2c1
O=C(NCC(=O)N(Cc1ccccc1)C1CC1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(NCC(=O)N(C[*:1])C1CC1)c1ccc2OCOc2c1
COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 COc1ccc(Cl)cc1[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc2NC(=O)CCc2c1
CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3nccs3)C(=O)[C@H]12 c1csc(n1)[*:1] CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(C(=O)[C@H]12)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)C[C@@H](C)n3cccc3)C2)c1 c1ccn(c1)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)C[C@@H](C)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)C[C@@H](C)n3cccc3)C2)c1 CCOC(=O)[*:1] C[C@H](CC(=O)N1CCC[C@H](C1)n1cc(cn1)[*:1])n1cccc1
O=c1c2cnc3ncnn3c2ccn1-c1cccc(F)c1 Fc1cccc(c1)[*:1] O=c1c2cnc3ncnn3c2ccn1[*:1]
C=CCc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(OC)c1O C=CC[*:1] COc1cc(cc(c1O)[*:1])C1C2C(=O)CCCC=2NC2CCCC(=O)C=21
C[C@@H](OC(=O)c1nccnc1N)C(=O)C1=c2ccccc2=[NH+]C1 Nc1nccnc1[*:1] C[C@@H](OC(=O)[*:1])C(=O)C1C[NH+]=c2ccccc2=1
O=C(C[C@H]1CCCO1)N1CCC[C@@H]1c1nnc2n1CCCCC2 C1CO[C@H](C1)C[*:1] O=C(N1CCC[C@@H]1c1nnc2CCCCCn21)[*:1]
O=C(C[C@H]1CCCO1)N1CCC[C@@H]1c1nnc2n1CCCCC2 C1CO[C@H](C1)[*:1] O=C(C[*:1])N1CCC[C@@H]1c1nnc2CCCCCn21
COc1cc(OC)cc([C@H]2CCN(C(=O)NC[C@H]3CCO[C@H]3C(C)C)C2)c1 CC(C)[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)C(=O)NC[C@H]1CCO[C@@H]1[*:1])OC
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(-c3ccccc3)cc1)CC2)c1ccco1 O=C(N[*:1])c1ccco1 O=C(c1ccc(cc1)-c1ccccc1)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(-c3ccccc3)cc1)CC2)c1ccco1 c1coc(c1)[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CCc2nc(NC(=O)[*:1])sc2C1
O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(-c3ccccc3)cc1)CC2)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1ccc(cc1)[*:1])c1ccco1
CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)[C@H]21 CC(=O)O[*:1] CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](C[C@]12C)[*:1]
CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)[C@H]21 CC(=O)[*:1] CC(=O)O[C@@H]1C[C@]2(C)[C@@H](CC[C@@H]2[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)[C@H]21)[*:1]
N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H](CCO)c2cccs2)c1 c1csc(c1)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)C(=O)N[C@H](CCO)[*:1]
N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H](CCO)c2cccs2)c1 OCC[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)C(=O)N[C@H](c1cccs1)[*:1]
CC[C@H](SC)C(=O)Nc1cc([N+](=O)[O-])ccc1O CC[C@H](SC)[*:1] O=C(Nc1cc(ccc1O)[N+](=O)[O-])[*:1]
CC[C@H](SC)C(=O)Nc1cc([N+](=O)[O-])ccc1O O=[N+]([O-])[*:1] CC[C@H](SC)C(=O)Nc1cc(ccc1O)[*:1]
CCOc1ccc(C[NH+](C)CCN2C(=O)c3ccccc3C2=O)cc1 CCO[*:1] C[NH+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(cc1)[*:1]
CC(C)[NH2+]Cc1ccc(C[NH+](C)CC(C)(C)C)nc1 CC(C)(C)[*:1] CC(C)[NH2+]Cc1ccc(C[NH+](C)C[*:1])nc1
CC(C)[NH2+]Cc1ccc(C[NH+](C)CC(C)(C)C)nc1 CC(C)[NH2+]C[*:1] C[NH+](Cc1ccc(cn1)[*:1])CC(C)(C)C
CC(C)[NH2+]Cc1ccc(C[NH+](C)CC(C)(C)C)nc1 CC(C)(C)C[*:1] CC(C)[NH2+]Cc1ccc(C[NH+](C)[*:1])nc1
CC(C)[NH2+]Cc1ccc(C[NH+](C)CC(C)(C)C)nc1 CC(C)[*:1] C[NH+](Cc1ccc(cn1)C[NH2+][*:1])CC(C)(C)C
Nc1ccc(COCc2ccccc2)c2ncccc12 c1ccc(cc1)[*:1] Nc1ccc(COC[*:1])c2ncccc12
CC1=C2[C@@H](c3ccc(Cl)c(Cl)c3)CC(=O)N[C@@H]2N(c2ccc([O-])nn2)N1 Clc1ccc(cc1Cl)[*:1] CC1NN(c2ccc([O-])nn2)[C@H]2NC(=O)C[C@H](C=12)[*:1]
CC(C)c1ccc(NC(=O)c2ccc3nnsc3c2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2nnsc2c1
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccco3)c2CO1 O=C(c1ccc(Cl)cc1)[*:1] CC1(C)Cc2c(C#N)c(nc(-c3ccco3)c2CO1)OC[*:1]
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccco3)c2CO1 c1coc(c1)[*:1] CC1(C)Cc2c(C#N)c(nc(c2CO1)[*:1])OCC(=O)c1ccc(Cl)cc1
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccco3)c2CO1 O=C(C[*:1])c1ccc(Cl)cc1 CC1(C)Cc2c(C#N)c(nc(-c3ccco3)c2CO1)O[*:1]
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccco3)c2CO1 Clc1ccc(cc1)[*:1] CC1(C)Cc2c(C#N)c(nc(-c3ccco3)c2CO1)OCC(=O)[*:1]
CC[NH2+][C@]1(CO)CC[C@@H](N(CC(F)(F)F)C2CC2)C1 C1CC1[*:1] CC[NH2+][C@]1(CO)CC[C@H](C1)N(CC(F)(F)F)[*:1]
CC[NH2+][C@]1(CO)CC[C@@H](N(CC(F)(F)F)C2CC2)C1 FC(F)(F)C[*:1] CC[NH2+][C@]1(CO)CC[C@H](C1)N(C1CC1)[*:1]
CC[NH2+][C@]1(CO)CC[C@@H](N(CC(F)(F)F)C2CC2)C1 FC(F)(F)[*:1] CC[NH2+][C@]1(CO)CC[C@H](C1)N(C[*:1])C1CC1
Cc1nc(-c2cccnc2)nc(N[C@H]2CC=CCC2)c1C c1cncc(c1)[*:1] Cc1nc(nc(N[C@H]2CC=CCC2)c1C)[*:1]
COc1ccc2nc(C)cc(C(=O)OCc3nc(C4CC4)cs3)c2c1 c1sc(nc1C1CC1)[*:1] COc1ccc2nc(C)cc(C(=O)OC[*:1])c2c1
COc1ccc2nc(C)cc(C(=O)OCc3nc(C4CC4)cs3)c2c1 C1CC1[*:1] COc1ccc2nc(C)cc(C(=O)OCc3nc(cs3)[*:1])c2c1
COc1ccc(OCC(=O)N/N=C/c2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)OCC(=O)NN=C[*:1]
CCOCCS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1 CCOCC[*:1] Clc1ccc(cc1)N1C(=NN[C@@H]1S[*:1])C1C[NH+]=c2ccccc2=1
CCOCCS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOCCS[C@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1[*:1]
CCOCCS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1 CCOCCS[*:1] Clc1ccc(cc1)N1C(=NN[C@@H]1[*:1])C1C[NH+]=c2ccccc2=1
CCOCCS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1 CCO[*:1] Clc1ccc(cc1)N1C(=NN[C@@H]1SCC[*:1])C1C[NH+]=c2ccccc2=1
CCOCCS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1 CCOC[*:1] Clc1ccc(cc1)N1C(=NN[C@@H]1SC[*:1])C1C[NH+]=c2ccccc2=1
C[C@H](Cn1cccn1)OC(=O)[C@H]1CCCN1S(C)(=O)=O c1cnn(c1)C[*:1] C[C@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)[*:1]
C[C@H](Cn1cccn1)OC(=O)[C@H]1CCCN1S(C)(=O)=O c1cnn(c1)[*:1] C[C@H](C[*:1])OC(=O)[C@H]1CCCN1S(C)(=O)=O
COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccn(-c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccn(n1)[*:1]
COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccn(-c2cccc(F)c2)n1 COC(=O)[*:1] O=C(c1ccn(n1)-c1cccc(F)c1)N1CCc2cc(ccc21)[*:1]
C[C@@H]1CCN(C(=O)CCc2cccc(OC3CCCC3)c2)C[C@@H]1O C1CCC(C1)O[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)CCc1cccc(c1)[*:1]
C[C@@H]1CCN(C(=O)CCc2cccc(OC3CCCC3)c2)C[C@@H]1O C1CCC(C1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)CCc1cccc(c1)O[*:1]
CSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1Cl)Nc1ccccc1-2 Clc1cccc(c1Cl)[*:1] CSc1nnc2-c3ccccc3N[C@@H](Oc2n1)[*:1]
Cc1ccc(NC(=O)c2ccc(N3C(=O)/C(=C\c4ccccn4)N=C3c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1ccc(cc1)N1C(=O)/C(=C\c2ccccn2)N=C1[*:1]
Cc1ccc(NC(=O)c2ccc(N3C(=O)/C(=C\c4ccccn4)N=C3c3ccccc3)cc2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)NC(=O)c1ccc(cc1)N1C(=O)C(=C[*:1])N=C1c1ccccc1
Cc1ccc(NC(=O)c2ccc(N3C(=O)/C(=C\c4ccccn4)N=C3c3ccccc3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)N1C(=O)/C(=C\c2ccccn2)N=C1c1ccccc1
Cc1ccc(NC(=O)c2ccc(N3C(=O)/C(=C\c4ccccn4)N=C3c3ccccc3)cc2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C1/C(=C\c2ccccn2)N=C(c2ccccc2)N1c1ccc(cc1)[*:1]
CCO[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1nc(C)cs1 CCO[*:1] Cc1csc(n1)[C@H](C)NC(=O)[C@@H]1C[C@H]1[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H]1[C@@H](CCN1C(=O)NC[*:1])C(=O)[O-]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1cnn(C)c1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)NCc1cnn(C)c1)[*:1]
C[C@H]1CN(CC2=Cc3ccccc3OC2)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(CC2=Cc3ccccc3OC2)C[C@H](O1)[*:1]
C[C@H](C(=O)N[C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)N[C@@H]1CCc2ccccc21)S(=O)(=O)[*:1]
C[C@](O)(CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)Cn1cc(ccc1=O)[N+](=O)[O-])[*:1]
C[C@](O)(CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 O=[N+]([O-])[*:1] C[C@](O)(CNC(=O)Cn1cc(ccc1=O)[*:1])c1ccc(F)cc1
CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 CCO[*:1] C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1cc(Br)ccc1[*:1]
Cc1noc([C@H]2CCC(=O)N(CCc3ccccc3)C2)n1 c1ccc(cc1)[*:1] Cc1noc(n1)[C@H]1CCC(=O)N(CC[*:1])C1
Cc1noc([C@H]2CCC(=O)N(CCc3ccccc3)C2)n1 Cc1noc(n1)[*:1] O=C1CC[C@@H](CN1CCc1ccccc1)[*:1]
Cc1noc([C@H]2CCC(=O)N(CCc3ccccc3)C2)n1 c1ccc(cc1)C[*:1] Cc1noc(n1)[C@H]1CCC(=O)N(C1)C[*:1]
CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)C1CC1 CCC(C)(C)NC(=O)[*:1] O=C(c1csnn1)N(C1CC1)[C@H](c1ccccc1F)[*:1]
CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)C1CC1 C1CC1[*:1] CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)[*:1]
CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)C1CC1 CCC(C)(C)[*:1] O=C(N[*:1])[C@@H](c1ccccc1F)N(C(=O)c1csnn1)C1CC1
CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)C1CC1 c1snnc1[*:1] CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)[*:1])C1CC1
CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1csnn1)C1CC1 Fc1ccccc1[*:1] CCC(C)(C)NC(=O)[C@@H](N(C(=O)c1csnn1)C1CC1)[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)C3CCCCC3)C2)nn(C)c1=O CC(C)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)C2CCCCC2)n(c1=O)[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)C3CCCCC3)C2)nn(C)c1=O C1CCC(CC1)[*:1] CC(C)n1c(nn(C)c1=O)[C@H]1CCCN(C1)C(=O)[*:1]
CCNC(=O)C(=O)c1cn(CC(=O)N(CC)CC)c2ccccc12 CCNC(=O)C(=O)[*:1] CCN(CC)C(=O)Cn1cc(c2ccccc21)[*:1]
CCNC(=O)C(=O)c1cn(CC(=O)N(CC)CC)c2ccccc12 CCN(CC)C(=O)[*:1] CCNC(=O)C(=O)c1cn(C[*:1])c2ccccc12
CCNC(=O)C(=O)c1cn(CC(=O)N(CC)CC)c2ccccc12 CCN(CC)C(=O)C[*:1] CCNC(=O)C(=O)c1cn(c2ccccc12)[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCCn3nc(C)cc3C)ccc21 Cc1cc(C)n(CC[*:1])n1 CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)NC[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCCn3nc(C)cc3C)ccc21 Cc1cc(C)n(n1)[*:1] CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)NCCC[*:1]
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCCn3nc(C)cc3C)ccc21 Cc1cc(C)n(C[*:1])n1 CCn1c(=O)c(=O)[nH]c2cc(ccc21)C(=O)NCC[*:1]
CCOc1ccc2nc(N[C@@H](C)[C@@H]3CCCO3)sc2c1 C1CO[C@@H](C1)[*:1] CCOc1ccc2nc(N[C@@H](C)[*:1])sc2c1
CCOc1ccc2nc(N[C@@H](C)[C@@H]3CCCO3)sc2c1 CCO[*:1] C[C@H](Nc1nc2ccc(cc2s1)[*:1])[C@@H]1CCCO1
CC(C)Nc1nc(N(C)C)nc2c1cnn2C CN(C)[*:1] CC(C)Nc1nc(nc2c1cnn2C)[*:1]
CC(C)Nc1nc(N(C)C)nc2c1cnn2C CC(C)N[*:1] CN(C)c1nc(c2cnn(C)c2n1)[*:1]
CC(C)Nc1nc(N(C)C)nc2c1cnn2C CC(C)[*:1] CN(C)c1nc(N[*:1])c2cnn(C)c2n1
CCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1 CCC[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)C(=O)N(C[*:1])c1ccccc1
CCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1 CCCC[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)C(=O)N(c1ccccc1)[*:1]
CCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1 Fc1ccc(cc1)[*:1] CCCCN(C(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccccc1
CCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1 c1ccc(cc1)[*:1] CCCCN(C(=O)[C@H]1CC(=O)N(C1)c1ccc(F)cc1)[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)NC[C@H](C)C#N CC(C)[*:1] C[C@H](C#N)CNC(=O)c1ccccc1S(=O)(=O)[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)NC[C@H](C)C#N CC(C)S(=O)(=O)[*:1] C[C@H](C#N)CNC(=O)c1ccccc1[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)NC[C@H](C)C#N C[C@H](C#N)C[*:1] CC(C)S(=O)(=O)c1ccccc1C(=O)N[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)NC[C@H](C)C#N C[C@H](C#N)[*:1] CC(C)S(=O)(=O)c1ccccc1C(=O)NC[*:1]
CC(C)c1n[nH]c(-c2ccccc2[N-]S(=O)(=O)CC2CCC2)n1 CC(C)[*:1] O=S(=O)(CC1CCC1)[N-]c1ccccc1-c1nc(n[nH]1)[*:1]
CC(C)c1n[nH]c(-c2ccccc2[N-]S(=O)(=O)CC2CCC2)n1 C1CC(C1)C[*:1] CC(C)c1n[nH]c(n1)-c1ccccc1[N-]S(=O)(=O)[*:1]
CC(C)c1n[nH]c(-c2ccccc2[N-]S(=O)(=O)CC2CCC2)n1 C1CC(C1)[*:1] CC(C)c1n[nH]c(n1)-c1ccccc1[N-]S(=O)(=O)C[*:1]
C=Cc1ccc(CN2C(=O)N(Cc3ccc(OC)cc3)S(=O)(=O)c3ccccc32)cc1 C=Cc1ccc(cc1)C[*:1] COc1ccc(cc1)CN1C(=O)N(c2ccccc2S1(=O)=O)[*:1]
C=Cc1ccc(CN2C(=O)N(Cc3ccc(OC)cc3)S(=O)(=O)c3ccccc32)cc1 C=Cc1ccc(cc1)[*:1] COc1ccc(cc1)CN1C(=O)N(C[*:1])c2ccccc2S1(=O)=O
C=Cc1ccc(CN2C(=O)N(Cc3ccc(OC)cc3)S(=O)(=O)c3ccccc32)cc1 COc1ccc(cc1)C[*:1] C=Cc1ccc(cc1)CN1C(=O)N(S(=O)(=O)c2ccccc21)[*:1]
C=Cc1ccc(CN2C(=O)N(Cc3ccc(OC)cc3)S(=O)(=O)c3ccccc32)cc1 COc1ccc(cc1)[*:1] C=Cc1ccc(cc1)CN1C(=O)N(C[*:1])S(=O)(=O)c2ccccc21
Cc1cccn2cc(CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)nc12 Fc1ccc(cc1)C[*:1] Cc1cccn2cc(CC(=O)Nc3ncc(s3)[*:1])nc12
Cc1cccn2cc(CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)nc12 Fc1ccc(cc1)[*:1] Cc1cccn2cc(CC(=O)Nc3ncc(C[*:1])s3)nc12
Cc1ccc(NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)cc1C Cc1ccc(cc1C)[*:1] CN(CCN(C)C(=O)OC(C)(C)C)C(=O)N[*:1]
Cc1ccc(NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)NC(=O)N(C)CCN(C)C(=O)O[*:1]
COC(=O)c1occc1CN(C)[C@@H](C)Cc1ccsc1 c1cc(cs1)C[*:1] COC(=O)c1occc1CN(C)[C@@H](C)[*:1]
COC(=O)c1occc1CN(C)[C@@H](C)Cc1ccsc1 COC(=O)[*:1] C[C@@H](Cc1ccsc1)N(C)Cc1ccoc1[*:1]
COC(=O)c1occc1CN(C)[C@@H](C)Cc1ccsc1 c1cc(cs1)[*:1] COC(=O)c1occc1CN(C)[C@@H](C)C[*:1]
O=C(c1cc(-c2ccccn2)nc2ccc(Cl)cc12)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc(nc2ccc(Cl)cc12)-c1ccccn1)N1CC[NH+](CC1)CC[*:1]
O=C(c1cc(-c2ccccn2)nc2ccc(Cl)cc12)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] O=C(c1cc(nc2ccc(Cl)cc12)-c1ccccn1)N1CC[NH+](CC1)[*:1]
O=C(c1cc(-c2ccccn2)nc2ccc(Cl)cc12)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cc(nc2ccc(Cl)cc12)-c1ccccn1)N1CC[NH+](CC1)C[*:1]
O=C(c1cc(-c2ccccn2)nc2ccc(Cl)cc12)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(nc1)[*:1] O=C(c1cc(nc2ccc(Cl)cc12)[*:1])N1CC[NH+](CCc2ccccc2)CC1
COc1ccc2c(c1)[C@H]([NH2+]CCCO)CC2 OCC[*:1] COc1ccc2CC[C@@H]([NH2+]C[*:1])c2c1
COc1ccc2c(c1)[C@H]([NH2+]CCCO)CC2 OCCC[*:1] COc1ccc2CC[C@@H]([NH2+][*:1])c2c1
Cc1ccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)NC(=O)Cn1nc(oc1=O)[*:1]
O=C(CNc1cccc(NC(=O)c2ccccc2)c1)NC[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(CNc1cccc(c1)NC(=O)[*:1])NC[C@@H]1CCCO1
COc1ccc(-c2noc([C@@H]3CCCN(C(=O)CC(C)C)C3)n2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)C[*:1]
COc1ccc(-c2noc([C@@H]3CCCN(C(=O)CC(C)C)C3)n2)cc1 COc1ccc(cc1)[*:1] CC(C)CC(=O)N1CCC[C@H](C1)c1nc(no1)[*:1]
COc1ccc(-c2noc([C@@H]3CCCN(C(=O)CC(C)C)C3)n2)cc1 CC(C)C[*:1] COc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)(C)c1ccc(NC(=O)NC[C@H](O)c2ccsc2)cc1 c1cc(cs1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)NC[C@H](O)[*:1]
CC(C)(C)c1ccc(NC(=O)NC[C@H](O)c2ccsc2)cc1 CC(C)(C)[*:1] O=C(NC[C@H](O)c1ccsc1)Nc1ccc(cc1)[*:1]
O=C(c1ccccc1O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(c1ccccc1O)N1CCC[C@H]1C[C@@H](O)[*:1]
O=C(c1ccccc1O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 Oc1ccccc1[*:1] O=C(N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)[*:1]
Cc1c(C(=O)NNC(=O)c2ccc(Cl)nc2)cnn1-c1ccccc1Cl Clc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)NNC(=O)c1ccc(Cl)nc1
Cc1c(C(=O)NNC(=O)c2ccc(Cl)nc2)cnn1-c1ccccc1Cl Clc1ccc(cn1)[*:1] Cc1c(cnn1-c1ccccc1Cl)C(=O)NNC(=O)[*:1]
c1c[nH+]c([C@@H]2CCCN(Cc3cnc(-c4ccsc4)s3)C2)[nH]1 c1cc(cs1)[*:1] c1c[nH+]c([nH]1)[C@@H]1CCCN(Cc2cnc(s2)[*:1])C1
O=C(Nc1ccc(Oc2ccccc2)cc1)c1snc2c([O-])ncnc12 c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1snc2c([O-])ncnc12
O=C(Nc1ccc(Oc2ccccc2)cc1)c1snc2c([O-])ncnc12 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1snc2c([O-])ncnc12
O=C(CNc1ccccc1Cl)NC[C@@H]1CCC[C@]12NC(=O)NC2=O Clc1ccccc1[*:1] O=C(CN[*:1])NC[C@@H]1CCC[C@]12NC(=O)NC2=O
O=C(CNc1ccccc1Cl)NC[C@@H]1CCC[C@]12NC(=O)NC2=O Clc1ccccc1N[*:1] O=C(C[*:1])NC[C@@H]1CCC[C@]12NC(=O)NC2=O
CC[C@H](C)[C@@H](NC(=O)/C=C/c1csc(C)n1)C(=O)[O-] Cc1nc(cs1)[*:1] CC[C@H](C)[C@@H](NC(=O)C=C[*:1])C(=O)[O-]
CC[C@H](C)[C@@H](NC(=O)/C=C/c1csc(C)n1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@@H](NC(=O)/C=C/c1csc(C)n1)[*:1]
CC[C@H](C)[C@@H](NC(=O)/C=C/c1csc(C)n1)C(=O)[O-] CC[C@H](C)[*:1] Cc1nc(/C=C/C(=O)N[C@@H](C(=O)[O-])[*:1])cs1
COc1ccncc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 COc1ccncc1[*:1] O=C(CC[NH+]1CCN(CC1)c1ccccc1)N[*:1]
COc1ccncc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccncc1NC(=O)CC[NH+]1CCN(CC1)[*:1]
Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(NCC1CC[NH+](CC1)[*:1])c1cc(nc2ccccc12)-c1ccccn1
Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)C[NH+]1CCC(CC1)CNC(=O)c1cc(nc2ccccc12)[*:1]
Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])c1cc(nc2ccccc12)-c1ccccn1
Cc1ccc([S@@](=O)CCC(=O)NC(=O)NCC(F)(F)F)cc1C FC(F)(F)[*:1] Cc1ccc(cc1C)[S@@](=O)CCC(=O)NC(=O)NC[*:1]
Cc1ccc([S@@](=O)CCC(=O)NC(=O)NCC(F)(F)F)cc1C FC(F)(F)C[*:1] Cc1ccc(cc1C)[S@@](=O)CCC(=O)NC(=O)N[*:1]
Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c(C)c1 Brc1cccc(c1)[*:1] Cc1cc(C)c(N/C=C(\C#N)c2nc(cs2)[*:1])c(C)c1
CN(C[C@@H](O)CN1CCOCC1)c1ncccc1[N+](=O)[O-] C1CN(CCO1)[*:1] CN(C[C@@H](O)C[*:1])c1ncccc1[N+](=O)[O-]
CN(C[C@@H](O)CN1CCOCC1)c1ncccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C[C@@H](O)CN1CCOCC1)c1ncccc1[*:1]
CN(C[C@@H](O)CN1CCOCC1)c1ncccc1[N+](=O)[O-] C1CN(CCO1)C[*:1] CN(C[C@@H](O)[*:1])c1ncccc1[N+](=O)[O-]
COc1cccc2cc(CNC(=O)C(=O)Nc3ccc(F)cc3)oc12 Fc1ccc(cc1)[*:1] COc1cccc2cc(CNC(=O)C(=O)N[*:1])oc12
Cc1cccc(CNc2cnn(-c3ccccc3)c(=O)c2Cl)c1 Cc1cccc(c1)[*:1] O=c1c(Cl)c(cnn1-c1ccccc1)NC[*:1]
Cc1cccc(CNc2cnn(-c3ccccc3)c(=O)c2Cl)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CNc1cnn(c(=O)c1Cl)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc(Br)c3)CC2)cc1 Brc1cccc(c1)C[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC[NH+](CC1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc(Br)c3)CC2)cc1 Brc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC[NH+](CC1)C[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc(Br)c3)CC2)cc1 CC(=O)N[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CC[NH+](CC1)Cc1cccc(Br)c1
Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)c1 Clc1ccc(s1)[*:1] Cc1cccc(c1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)c1 Cc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)s1
COc1ccc([C@H]2[C@@H]3[C@H](N=N[C@H]3c3ccco3)C(=O)N2CCC2=c3cc(OC)ccc3=[NH+]C2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)[C@H]1[C@@H]2[C@H](N=N[C@@H]2[*:1])C(=O)N1CCC1C[NH+]=c2ccc(cc2=1)OC
COc1ccc([C@H]2[C@@H]3[C@H](N=N[C@H]3c3ccco3)C(=O)N2CCC2=c3cc(OC)ccc3=[NH+]C2)cc1 COc1ccc(cc1)[*:1] COc1ccc2=[NH+]CC(CCN3C(=O)[C@H]4N=N[C@@H](c5ccco5)[C@@H]4[C@@H]3[*:1])=c2c1
Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnnn2C2CC2)c2ccccc2)c1 C1CC1n1nnnc1S[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H](c1ccccc1)[*:1]
Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnnn2C2CC2)c2ccccc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[*:1])[C@@H](Sc1nnnn1C1CC1)c1ccccc1
Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnnn2C2CC2)c2ccccc2)c1 C1CC1[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H](Sc1nnnn1[*:1])c1ccccc1
Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnnn2C2CC2)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H](Sc1nnnn1C1CC1)[*:1]
Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnnn2C2CC2)c2ccccc2)c1 C1CC1n1nnnc1[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H](S[*:1])c1ccccc1
C[C@H]1C[C@@H]1C(=O)Nc1ccc(/C([O-])=N/S(=O)(=O)c2ccc(Cl)cc2F)cc1 C[C@H]1C[C@@H]1C(=O)N[*:1] O=S(=O)(/N=C(\[O-])c1ccc(cc1)[*:1])c1ccc(Cl)cc1F
C[C@H]1C[C@@H]1C(=O)Nc1ccc(/C([O-])=N/S(=O)(=O)c2ccc(Cl)cc2F)cc1 Fc1cc(Cl)ccc1[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(cc1)/C([O-])=N/S(=O)(=O)[*:1]
CSCC[C@@H](NC(=O)N1CCCC[C@@H]1C)c1nnc2ccccn12 CSCC[*:1] C[C@H]1CCCCN1C(=O)N[C@@H](c1nnc2ccccn12)[*:1]
CSCC[C@@H](NC(=O)N1CCCC[C@@H]1C)c1nnc2ccccn12 CSC[*:1] C[C@H]1CCCCN1C(=O)N[C@H](C[*:1])c1nnc2ccccn12
Cc1occc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 c1ccc(cc1)[*:1] Cc1occc1C(=O)N[C@@H](c1ccc2nc([nH]c2c1)C(F)(F)F)[*:1]
Cc1occc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 Cc1occc1C(=O)N[*:1] FC(F)(F)c1nc2ccc(cc2[nH]1)[C@H](c1ccccc1)[*:1]
Cc1occc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 FC(F)(F)[*:1] Cc1occc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc([nH]c2c1)[*:1]
Cc1occc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 Cc1occc1[*:1] O=C(N[C@@H](c1ccccc1)c1ccc2nc([nH]c2c1)C(F)(F)F)[*:1]
CCN(CC(=O)NC)C(=O)CCOc1ccc(Cl)cc1 CNC(=O)C[*:1] CCN(C(=O)CCOc1ccc(Cl)cc1)[*:1]
CCN(CC(=O)NC)C(=O)CCOc1ccc(Cl)cc1 CNC(=O)[*:1] CCN(C[*:1])C(=O)CCOc1ccc(Cl)cc1
COc1cccc([C@@H]2C[C@@H](c3ccc(C)cc3)Nc3nnnn32)c1OC(F)F Cc1ccc(cc1)[*:1] COc1cccc(c1OC(F)F)[C@@H]1C[C@@H](Nc2nnnn21)[*:1]
COc1cccc([C@@H]2C[C@@H](c3ccc(C)cc3)Nc3nnnn32)c1OC(F)F FC(F)[*:1] COc1cccc(c1O[*:1])[C@@H]1C[C@H](Nc2nnnn21)c1ccc(C)cc1
COc1cccc([C@@H]2C[C@@H](c3ccc(C)cc3)Nc3nnnn32)c1OC(F)F FC(F)O[*:1] COc1cccc(c1[*:1])[C@@H]1C[C@H](Nc2nnnn21)c1ccc(C)cc1
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCCS1(=O)=O Clc1cccc(c1)[*:1] CC(C)[C@H](O[*:1])C(=O)NC[C@@H]1CCCS1(=O)=O
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCCS1(=O)=O CC(C)[*:1] O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H](Oc1cccc(Cl)c1)[*:1]
C[C@H](NCc1nc(C2CC2)cs1)c1ccc(Cl)c(Cl)c1 C1CC1[*:1] C[C@H](NCc1nc(cs1)[*:1])c1ccc(Cl)c(Cl)c1
O=C(NCCCNc1nc2ccccc2cc1CO)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCCNc1nc2ccccc2cc1CO)[*:1]
Cn1cc(C(N)=O)c(NC(=O)c2ccc(N3CCCC3)c(F)c2)n1 NC(=O)[*:1] Cn1cc(c(n1)NC(=O)c1ccc(c(F)c1)N1CCCC1)[*:1]
Cn1cc(C(N)=O)c(NC(=O)c2ccc(N3CCCC3)c(F)c2)n1 C1CCN(C1)[*:1] Cn1cc(C(N)=O)c(n1)NC(=O)c1ccc(c(F)c1)[*:1]
CC(C)[C@H](O)c1cc2c(cc1NC(=O)C1CC1)OCCO2 C1CC1[*:1] CC(C)[C@H](O)c1cc2OCCOc2cc1NC(=O)[*:1]
CC(C)[C@H](O)c1cc2c(cc1NC(=O)C1CC1)OCCO2 O=C(N[*:1])C1CC1 CC(C)[C@H](O)c1cc2OCCOc2cc1[*:1]
CC(C)[C@H](O)c1cc2c(cc1NC(=O)C1CC1)OCCO2 CC(C)[C@H](O)[*:1] O=C(Nc1cc2OCCOc2cc1[*:1])C1CC1
CC(C)[C@H](O)c1cc2c(cc1NC(=O)C1CC1)OCCO2 CC(C)[*:1] O=C(Nc1cc2OCCOc2cc1[C@@H](O)[*:1])C1CC1
c1ccc(-c2noc(CSc3nccn3C3CC3)n2)cc1 C1CC1[*:1] c1ccc(cc1)-c1noc(CSc2nccn2[*:1])n1
c1ccc(-c2noc(CSc3nccn3C3CC3)n2)cc1 c1ccc(cc1)[*:1] c1cn(c(n1)SCc1nc(no1)[*:1])C1CC1
COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc(OC)c1 Cc1cc(ccc1Cl)[*:1] COc1cc(cc(c1)OC)NC(=O)[C@@H](C)O[*:1]
COc1ccc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(OC)c1 O=[N+]([O-])[*:1] COc1ccc(C(=O)Cn2nc(C)c(c2C)[*:1])c(c1)OC
O=C(c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1)N1CCOCC1 O=C(N1CCOCC1)[*:1] Clc1cc(Cl)c(Br)c(c1)-c1nc2cc(ccc2o1)[*:1]
Cc1nnsc1C(=O)Nc1ccc2c(C)c(C)c(=O)[nH]c2c1 Cc1nnsc1[*:1] Cc1c(C)c2ccc(cc2[nH]c1=O)NC(=O)[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCCC[C@@H]2C)[C@H]1c1cn(C)c2ccccc12 COCC[*:1] C[C@H]1CCCCN1C(=O)[C@H]1c2ccccc2C(=O)N([C@@H]1c1cn(C)c2ccccc12)[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCCC[C@@H]2C)[C@H]1c1cn(C)c2ccccc12 Cn1cc(c2ccccc21)[*:1] COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCCC[C@@H]2C)[C@@H]1[*:1]
COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCCC[C@@H]2C)[C@H]1c1cn(C)c2ccccc12 COC[*:1] C[C@H]1CCCCN1C(=O)[C@H]1c2ccccc2C(=O)N(C[*:1])[C@@H]1c1cn(C)c2ccccc12
CCC[NH2+]C/C(=C\c1cccc(C)c1C)C(C)C CC(C)[*:1] CCC[NH2+]C/C(=C\c1cccc(C)c1C)[*:1]
CCC[NH2+]C/C(=C\c1cccc(C)c1C)C(C)C CCC[*:1] Cc1cccc(/C=C(\C[NH2+][*:1])C(C)C)c1C
C[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccccc1Cl C1CO[C@H](C1)C[*:1] C[C@H](NC(=O)N(C)[*:1])c1ccccc1Cl
C[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccccc1Cl C1CO[C@H](C1)[*:1] C[C@H](NC(=O)N(C)C[*:1])c1ccccc1Cl
CC(=O)N[C@@H](C(=O)Nc1cc(-c2ccccc2)on1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)Nc1cc(on1)-c1ccccc1)[*:1]
CC(=O)N[C@@H](C(=O)Nc1cc(-c2ccccc2)on1)C(C)C c1ccc(cc1)[*:1] CC(=O)N[C@@H](C(=O)Nc1cc(on1)[*:1])C(C)C
CC(=O)N[C@@H](C(=O)Nc1cc(-c2ccccc2)on1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)Nc1cc(on1)-c1ccccc1)[*:1]
CCC[C@@H]([NH2+]C[C@H]1CSc2ccccc21)C(=O)[O-] O=C([O-])[*:1] CCC[C@@H]([NH2+]C[C@H]1CSc2ccccc21)[*:1]
CCC[C@@H]([NH2+]C[C@H]1CSc2ccccc21)C(=O)[O-] CCC[*:1] O=C([O-])[C@H]([NH2+]C[C@H]1CSc2ccccc21)[*:1]
CCOC(=O)[C@H](C)Nc1ccn(Cc2ccccn2)n1 c1ccc(nc1)[*:1] CCOC(=O)[C@H](C)Nc1ccn(C[*:1])n1
CCOC(=O)[C@H](C)Nc1ccn(Cc2ccccn2)n1 CCOC(=O)[*:1] C[C@H](Nc1ccn(Cc2ccccn2)n1)[*:1]
CN(C)C(=O)Nc1ccc(C(=O)NCC2(C)Cc3ccccc3C2)c(Cl)c1 CN(C)C(=O)N[*:1] CC1(CNC(=O)c2ccc(cc2Cl)[*:1])Cc2ccccc2C1
C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(CN2CCCC2=O)c1 O=C1CCCN1C[*:1] C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(c1)[*:1]
C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(CN2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(c1)C[*:1]
CC(C)(CO)NC(=O)Nc1cccc(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] CC(C)(CO)NC(=O)Nc1cccc(c1)[*:1]
CC(C)(CO)NC(=O)Nc1cccc(C(=O)N2CCCC2)c1 CC(C)(CO)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCCC1)N[*:1]
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C1=O c1ccc(cc1)[*:1] Cc1ccccc1N1C(=O)[C@H]2ON([C@H](c3cccnc3)[C@@H]2C1=O)[*:1]
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C1=O c1cncc(c1)[*:1] Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H]([C@@H]2C1=O)[*:1]
Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C1=O Cc1ccccc1[*:1] O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1[*:1]
COc1cccc(OC)c1-c1cnnc(N2CCC(C(=O)c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] COc1cccc(OC)c1-c1cnnc(n1)N1CCC(CC1)C(=O)[*:1]
COc1cccc(OC)c1-c1cnnc(N2CCC(C(=O)c3ccccc3)CC2)n1 COc1cccc(OC)c1[*:1] O=C(c1ccccc1)C1CCN(CC1)c1nncc(n1)[*:1]
COc1cccc(OC)c1-c1cnnc(N2CCC(C(=O)c3ccccc3)CC2)n1 O=C(c1ccccc1)[*:1] COc1cccc(OC)c1-c1cnnc(n1)N1CCC(CC1)[*:1]
Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 c1ccc(nc1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)c1ccc(o1)[N+](=O)[O-])[*:1]
Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 O=[N+]([O-])[*:1] Cc1nn(-c2ccccn2)c(C)c1N1CCN(CC1)C(=O)c1ccc(o1)[*:1]
Cc1nn(-c2ccccn2)c(C)c1N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 O=[N+]([O-])c1ccc(o1)[*:1] Cc1nn(-c2ccccn2)c(C)c1N1CCN(CC1)C(=O)[*:1]
O=C(NCc1cccnc1)N1CCC(C(=O)N2CCCCCC2)CC1 c1cncc(c1)C[*:1] O=C(N[*:1])N1CCC(CC1)C(=O)N1CCCCCC1
O=C(NCc1cccnc1)N1CCC(C(=O)N2CCCCCC2)CC1 c1cncc(c1)[*:1] O=C(NC[*:1])N1CCC(CC1)C(=O)N1CCCCCC1
Nc1ccc(F)c(C(=O)NCCCc2nc[nH]n2)c1F c1nc(C[*:1])n[nH]1 Nc1ccc(F)c(C(=O)NCC[*:1])c1F
Nc1ccc(F)c(C(=O)NCCCc2nc[nH]n2)c1F c1nc(n[nH]1)[*:1] Nc1ccc(F)c(C(=O)NCCC[*:1])c1F
O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCN1C(=O)C1CC1 FC(F)(F)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])[C@@H]1CCCN1C(=O)C1CC1
O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)[C@@H]1CCCN1C(=O)[*:1]
O=C(Nc1ccsc1C(=O)NC[C@@H]1CCCCO1)c1ccncc1 C1CC[C@@H](C[*:1])OC1 O=C(Nc1ccsc1C(=O)N[*:1])c1ccncc1
O=C(Nc1ccsc1C(=O)NC[C@@H]1CCCCO1)c1ccncc1 C1CC[C@H](OC1)[*:1] O=C(Nc1ccsc1C(=O)NC[*:1])c1ccncc1
O=C(Nc1ccsc1C(=O)NC[C@@H]1CCCCO1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NC[C@@H]1CCCCO1)c1sccc1NC(=O)[*:1]
CN([C@H](c1ccc(Cl)cc1)c1nccn1C)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CN([C@H](c1ccc(Cl)cc1)c1nccn1C)S(=O)(=O)[*:1]
CN([C@H](c1ccc(Cl)cc1)c1nccn1C)S(=O)(=O)c1cccs1 Clc1ccc(cc1)[*:1] CN([C@H](c1nccn1C)[*:1])S(=O)(=O)c1cccs1
CN([C@H](c1ccc(Cl)cc1)c1nccn1C)S(=O)(=O)c1cccs1 Cn1ccnc1[*:1] CN([C@H](c1ccc(Cl)cc1)[*:1])S(=O)(=O)c1cccs1
O=C1C[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1Cc1cccnc1 c1cncc(c1)C[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC(CC1)Cn1cccn1
O=C1C[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1Cc1cccnc1 c1cnn(c1)[*:1] O=C1C[C@@H](CN1Cc1cccnc1)C(=O)N1CCC(CC1)C[*:1]
O=C1C[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1Cc1cccnc1 c1cncc(c1)[*:1] O=C1C[C@@H](CN1C[*:1])C(=O)N1CCC(CC1)Cn1cccn1
O=C1C[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1Cc1cccnc1 c1cnn(c1)C[*:1] O=C1C[C@@H](CN1Cc1cccnc1)C(=O)N1CCC(CC1)[*:1]
CCC(CC)N1C(=O)[C@@H](C2CC2)NC(=O)C1(C)C C1CC1[*:1] CCC(CC)N1C(=O)[C@@H](NC(=O)C1(C)C)[*:1]
CCC(CC)N1C(=O)[C@@H](C2CC2)NC(=O)C1(C)C CCC(CC)[*:1] CC1(C)C(=O)N[C@@H](C(=O)N1[*:1])C1CC1
CCC[C@@H](O)CNC(=O)NCC1(SC)CCOCC1 CCC[C@@H](O)C[*:1] CSC1(CCOCC1)CNC(=O)N[*:1]
CCC[C@@H](O)CNC(=O)NCC1(SC)CCOCC1 CCC[*:1] CSC1(CCOCC1)CNC(=O)NC[C@H](O)[*:1]
CCC[C@@H](O)CNC(=O)NCC1(SC)CCOCC1 CCC[C@@H](O)[*:1] CSC1(CCOCC1)CNC(=O)NC[*:1]
COc1ccc(CCNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC COc1ccc(cc1OC)[*:1] O=C(Cn1cnc2sc3CCCCc3c2c1=O)NCC[*:1]
CC(=O)c1ccccc1C(=O)NNC(=O)CCCc1ccccc1 c1ccc(cc1)CC[*:1] CC(=O)c1ccccc1C(=O)NNC(=O)C[*:1]
CC(=O)c1ccccc1C(=O)NNC(=O)CCCc1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1ccccc1C(=O)NNC(=O)CCC[*:1]
CC(=O)c1ccccc1C(=O)NNC(=O)CCCc1ccccc1 c1ccc(cc1)C[*:1] CC(=O)c1ccccc1C(=O)NNC(=O)CC[*:1]
CC(=O)c1ccccc1C(=O)NNC(=O)CCCc1ccccc1 CC(=O)[*:1] O=C(CCCc1ccccc1)NNC(=O)c1ccccc1[*:1]
CCCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C)c1Cl CCC[*:1] Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[*:1])c1Cl
CCn1nccc1-c1csc(S(=O)(=O)N2CCCCC2)c1 CCn1nccc1[*:1] O=S(=O)(c1cc(cs1)[*:1])N1CCCCC1
CN(C(=O)CCSc1ccccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CN(C(=O)CCSc1ccccc1F)[C@H]1CCN(C1)C(=O)O[*:1]
CN(C(=O)CCSc1ccccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 Fc1ccccc1[*:1] CN(C(=O)CCS[*:1])[C@H]1CCN(C1)C(=O)OC(C)(C)C
CN(C(=O)CCSc1ccccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 Fc1ccccc1S[*:1] CN(C(=O)CC[*:1])[C@H]1CCN(C1)C(=O)OC(C)(C)C
COc1cc(NC(=O)C[NH+]2CCCN(c3ncccn3)CC2)ccc1Cl c1cnc(nc1)[*:1] COc1cc(ccc1Cl)NC(=O)C[NH+]1CCCN(CC1)[*:1]
O=C(Nc1ccccc1)Nc1nnc(COc2ccc(Br)cc2Br)s1 c1ccc(cc1)[*:1] O=C(Nc1nnc(COc2ccc(Br)cc2Br)s1)N[*:1]
O=C(Nc1ccccc1)Nc1nnc(COc2ccc(Br)cc2Br)s1 Brc1ccc(c(Br)c1)[*:1] O=C(Nc1ccccc1)Nc1nnc(CO[*:1])s1
CCOc1cccc(C(=O)N(C)C2(C(=O)OC)CCCCC2)c1 COC(=O)[*:1] CCOc1cccc(c1)C(=O)N(C)C1(CCCCC1)[*:1]
CCOc1cccc(C(=O)N(C)C2(C(=O)OC)CCCCC2)c1 CCO[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)c1cccc(c1)[*:1]
N#Cc1ccc(-c2csc(NC(=O)NCc3ccc(Cl)cc3)n2)cc1 Clc1ccc(cc1)[*:1] N#Cc1ccc(cc1)-c1csc(n1)NC(=O)NC[*:1]
N#Cc1ccc(-c2csc(NC(=O)NCc3ccc(Cl)cc3)n2)cc1 Clc1ccc(cc1)C[*:1] N#Cc1ccc(cc1)-c1csc(n1)NC(=O)N[*:1]
N#Cc1ccc(-c2csc(NC(=O)NCc3ccc(Cl)cc3)n2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)Nc1nc(cs1)[*:1]
CCSc1ccccc1NC(=O)N[C@@]1(C)CCOC1 CCS[*:1] C[C@@]1(CCOC1)NC(=O)Nc1ccccc1[*:1]
COc1ccc(CN2CC[C@H](S(=O)(=O)NC(C)C)C2)s1 CC(C)[*:1] COc1ccc(CN2CC[C@@H](C2)S(=O)(=O)N[*:1])s1
Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 C1CO[C@@H](C1)[*:1] Nc1ccc2nc([nH]c2c1)[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1OCC(F)(F)F FC(F)(F)[*:1] CN(Cc1ccc2OCOc2c1)C(=O)Nc1ccccc1OC[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1OCC(F)(F)F FC(F)(F)C[*:1] CN(Cc1ccc2OCOc2c1)C(=O)Nc1ccccc1O[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1OCC(F)(F)F c1cc2OCOc2cc1[*:1] CN(C[*:1])C(=O)Nc1ccccc1OCC(F)(F)F
CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1OCC(F)(F)F FC(F)(F)CO[*:1] CN(Cc1ccc2OCOc2c1)C(=O)Nc1ccccc1[*:1]
CCN(Cc1ccccn1)C(=O)NCc1cn2ccsc2n1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)NCc1cn2ccsc2n1
CCN(Cc1ccccn1)C(=O)NCc1cn2ccsc2n1 c1ccc(C[*:1])nc1 CCN(C(=O)NCc1cn2ccsc2n1)[*:1]
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C1CCCC1)CC2 C1CCC(C1)[*:1] Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2CCN(C(=O)[*:1])c2c1
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C1CCCC1)CC2 Cc1noc(C)c1[*:1] O=C(C1CCCC1)N1CCc2ccc(cc21)[N-]S(=O)(=O)[*:1]
CC(C)(C(=O)N(CCC(F)(F)F)CC1CC1)c1ccc(F)cc1 FC(F)(F)C[*:1] CC(C)(C(=O)N(CC1CC1)C[*:1])c1ccc(F)cc1
CC(C)(C(=O)N(CCC(F)(F)F)CC1CC1)c1ccc(F)cc1 FC(F)(F)[*:1] CC(C)(C(=O)N(CC[*:1])CC1CC1)c1ccc(F)cc1
CC(C)(C(=O)N(CCC(F)(F)F)CC1CC1)c1ccc(F)cc1 C1CC1[*:1] CC(C)(C(=O)N(CCC(F)(F)F)C[*:1])c1ccc(F)cc1
CC(C)(C(=O)N(CCC(F)(F)F)CC1CC1)c1ccc(F)cc1 C1CC1C[*:1] CC(C)(C(=O)N(CCC(F)(F)F)[*:1])c1ccc(F)cc1
CC(C)(C(=O)N(CCC(F)(F)F)CC1CC1)c1ccc(F)cc1 FC(F)(F)CC[*:1] CC(C)(C(=O)N(CC1CC1)[*:1])c1ccc(F)cc1
CC(C)(C(=O)N(CCC(F)(F)F)CC1CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C(=O)N(CCC(F)(F)F)CC1CC1)[*:1]
c1cncc(CN2CC[C@H](c3nnc(-c4ccco4)o3)C2)c1 c1cncc(c1)C[*:1] c1coc(c1)-c1nnc(o1)[C@H]1CCN(C1)[*:1]
c1cncc(CN2CC[C@H](c3nnc(-c4ccco4)o3)C2)c1 c1coc(c1)[*:1] c1cncc(c1)CN1CC[C@@H](C1)c1nnc(o1)[*:1]
c1cncc(CN2CC[C@H](c3nnc(-c4ccco4)o3)C2)c1 c1cncc(c1)[*:1] c1coc(c1)-c1nnc(o1)[C@H]1CCN(C1)C[*:1]
CC(C)C/N=C(/S)NNC(=O)C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 CC(C)C[*:1] O=C(NNC(S)=N[*:1])C1CC[NH+](CC1)Cc1ccc(F)cc1Cl
CC(C)C/N=C(/S)NNC(=O)C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 Fc1ccc(c(Cl)c1)[*:1] CC(C)C/N=C(/S)NNC(=O)C1CC[NH+](CC1)C[*:1]
CC(C)C/N=C(/S)NNC(=O)C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 CC(C)[*:1] O=C(NN/C(S)=N\C[*:1])C1CC[NH+](CC1)Cc1ccc(F)cc1Cl
Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccccc1Cl Clc1ccccc1[*:1] Cn1c(nnc1[*:1])SCC(=O)N1CCN(CC1)c1ccccc1
Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccccc1Cl c1ccc(cc1)[*:1] Cn1c(nnc1-c1ccccc1Cl)SCC(=O)N1CCN(CC1)[*:1]
COc1ccc(F)c(NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)c1 c1cnn(c1)[*:1] COc1ccc(F)c(c1)NC(=O)CN(C)C(=O)[C@@H](C)[*:1]
C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[C@@]1(C)CO)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[C@@]1(C)CO)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)N(C)S(=O)(=O)[*:1]
CCC(CC)[C@H](CNC(=O)c1ccc(=O)n(C)n1)[NH+]1CCCC1 CCC(CC)[*:1] Cn1nc(ccc1=O)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
O=C1CN(C(=O)NCCC(F)(F)F)CCN1 FC(F)(F)C[*:1] O=C1CN(CCN1)C(=O)NC[*:1]
O=C1CN(C(=O)NCCC(F)(F)F)CCN1 FC(F)(F)[*:1] O=C1CN(CCN1)C(=O)NCC[*:1]
CC(=O)Nc1ccc(CC(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1 CC(=O)N[*:1] C[C@H](OC(=O)Cc1ccc(cc1)[*:1])C(=O)c1c[nH]c2ccccc12
CC(=O)Nc1ccc(CC(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)O[C@@H](C)C(=O)[*:1]
NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 NC(=O)CO[*:1] O=S(=O)(NCc1ccccc1)c1ccc(cc1)[*:1]
NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] NC(=O)COc1ccc(cc1)S(=O)(=O)N[*:1]
NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] NC(=O)COc1ccc(cc1)S(=O)(=O)NC[*:1]
NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 NC(=O)C[*:1] O=S(=O)(NCc1ccccc1)c1ccc(cc1)O[*:1]
NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 NC(=O)[*:1] O=S(=O)(NCc1ccccc1)c1ccc(cc1)OC[*:1]
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(F)c3C)C2=O)cc1 Cc1c(F)cccc1[*:1] Cc1ccc(cc1)[C@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(F)c3C)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CC(C)(C)c1cc(=O)[nH]c(N2CCC[NH2+]CC2)n1 CC(C)(C)[*:1] O=c1cc(nc([nH]1)N1CCC[NH2+]CC1)[*:1]
COc1ccc(C)cc1NC(=O)CNC(=O)c1ccccc1OC(F)F FC(F)O[*:1] COc1ccc(C)cc1NC(=O)CNC(=O)c1ccccc1[*:1]
COc1ccc(C)cc1NC(=O)CNC(=O)c1ccccc1OC(F)F FC(F)[*:1] COc1ccc(C)cc1NC(=O)CNC(=O)c1ccccc1O[*:1]
Nc1ccc(F)cc1-c1nc(C2CC2)no1 C1CC1[*:1] Nc1ccc(F)cc1-c1nc(no1)[*:1]
C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CCS(N)(=O)=O)CC2)o1 NS(=O)(=O)[*:1] C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CC2)CC[*:1])o1
C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CCS(N)(=O)=O)CC2)o1 NS(=O)(=O)C[*:1] C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CC2)C[*:1])o1
C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CCS(N)(=O)=O)CC2)o1 NS(=O)(=O)CC[*:1] C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CC2)[*:1])o1
C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CCS(N)(=O)=O)CC2)o1 C[C@H]1C[C@H]1[*:1] NS(=O)(=O)CCN1CC[NH+](CC1)Cc1ccc(o1)[*:1]
[O-]c1nc(N2CCc3ccccc3C2)nc2ncn(-c3ccc(Cl)c(Cl)c3)c(=S)c12 c1ccc2CN(CCc2c1)[*:1] [O-]c1nc(nc2ncn(-c3ccc(Cl)c(Cl)c3)c(=S)c12)[*:1]
[O-]c1nc(N2CCc3ccccc3C2)nc2ncn(-c3ccc(Cl)c(Cl)c3)c(=S)c12 Clc1ccc(cc1Cl)[*:1] [O-]c1nc(nc2ncn(c(=S)c12)[*:1])N1CCc2ccccc2C1
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] O=C(/C=C/c1ccc2OCOc2c1)Nc1nnc(s1)[*:1]
O=C(NCc1ccc(-n2cncn2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 c1ncn(n1)[*:1] O=C(NCc1ccc(cc1)[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
Nc1cccc(-c2ccc(C3OCCO3)cc2)c1 C1COC(O1)[*:1] Nc1cccc(c1)-c1ccc(cc1)[*:1]
CC[C@@H](Sc1nc(C(F)(F)F)cc(C)c1C#N)C(=O)NC(C)C CC(C)[*:1] CC[C@@H](Sc1nc(cc(C)c1C#N)C(F)(F)F)C(=O)N[*:1]
CC[C@@H](Sc1nc(C(F)(F)F)cc(C)c1C#N)C(=O)NC(C)C CC(C)NC(=O)[*:1] CC[C@@H](Sc1nc(cc(C)c1C#N)C(F)(F)F)[*:1]
CC[C@@H](Sc1nc(C(F)(F)F)cc(C)c1C#N)C(=O)NC(C)C FC(F)(F)[*:1] CC[C@@H](Sc1nc(cc(C)c1C#N)[*:1])C(=O)NC(C)C
NS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCNC2=O)ccc1Cl NS(=O)(=O)[*:1] O=C(OCC(=O)N1CCNC1=O)c1ccc(Cl)c(c1)[*:1]
CC(C)(C)n1ncc2c(=O)[nH]c(NCc3ccc(F)cc3C(F)(F)F)nc21 CC(C)(C)[*:1] O=c1[nH]c(nc2c1cnn2[*:1])NCc1ccc(F)cc1C(F)(F)F
CC(C)(C)n1ncc2c(=O)[nH]c(NCc3ccc(F)cc3C(F)(F)F)nc21 FC(F)(F)[*:1] CC(C)(C)n1ncc2c(=O)[nH]c(nc21)NCc1ccc(F)cc1[*:1]
CC(=O)N(CCC(C)C)[C@H]1N=C(C)[C@H](C(=O)/N=c2\[nH]c3ccccc3s2)S1 CC(C)C[*:1] CC(=O)N(C[*:1])[C@H]1N=C(C)[C@@H](S1)C(=O)/N=c1\[nH]c2ccccc2s1
CC(=O)N(CCC(C)C)[C@H]1N=C(C)[C@H](C(=O)/N=c2\[nH]c3ccccc3s2)S1 CC(=O)N(CCC(C)C)[*:1] CC1=N[C@@H](S[C@H]1C(=O)/N=c1\[nH]c2ccccc2s1)[*:1]
CC(=O)N(CCC(C)C)[C@H]1N=C(C)[C@H](C(=O)/N=c2\[nH]c3ccccc3s2)S1 CC(C)CC[*:1] CC(=O)N([C@H]1N=C(C)[C@@H](S1)C(=O)/N=c1\[nH]c2ccccc2s1)[*:1]
CC(=O)N(CCC(C)C)[C@H]1N=C(C)[C@H](C(=O)/N=c2\[nH]c3ccccc3s2)S1 CC(C)[*:1] CC(=O)N(CC[*:1])[C@H]1N=C(C)[C@@H](S1)C(=O)/N=c1\[nH]c2ccccc2s1
CN(Cc1nnc(-c2cccs2)o1)Cc1ncnn1C c1csc(c1)[*:1] CN(Cc1nnc(o1)[*:1])Cc1ncnn1C
CN(Cc1nnc(-c2cccs2)o1)Cc1ncnn1C Cn1ncnc1[*:1] CN(Cc1nnc(o1)-c1cccs1)C[*:1]
CC(=O)N(C)c1ccc(NC(=O)CNc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(=O)N(C)c1ccc(cc1)NC(=O)CN[*:1]
CC(=O)N(C)c1ccc(NC(=O)CNc2ccc(Cl)cc2)cc1 CC(=O)N(C)[*:1] O=C(CNc1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
O=C(Nc1cc(F)ccc1F)c1cnn(-c2ccccc2Cl)c1 Clc1ccccc1[*:1] O=C(Nc1cc(F)ccc1F)c1cnn(c1)[*:1]
C[NH+]1CCN(C[C@H](NC(=O)c2ccc3ncccc3c2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C[C@H](NC(=O)c1ccc2ncccc2c1)[*:1]
O=[N+]([O-])c1ccc(N2CCNC2=S)cc1 O=[N+]([O-])[*:1] S=C1NCCN1c1ccc(cc1)[*:1]
COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)cc1Br Fc1ccc(nc1)[*:1] COc1ccc(cc1Br)[C@H](C)[NH2+][C@@H](C)[*:1]
O=C1N[C@@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 c1cncc(c1)[*:1] O=C1N[C@@H](c2ccc3OCOc3c2)[C@@H](C(=O)[*:1])[C@](O)(N1)C(F)(F)F
O=C1N[C@@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 FC(F)(F)[*:1] O=C1N[C@@H](c2ccc3OCOc3c2)[C@@H](C(=O)c2cccnc2)[C@@](O)(N1)[*:1]
O=C1N[C@@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 c1cc2OCOc2cc1[*:1] O=C1N[C@@H]([C@@H](C(=O)c2cccnc2)[C@](O)(N1)C(F)(F)F)[*:1]
O=C1N[C@@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 O=C(c1cccnc1)[*:1] O=C1N[C@@H](c2ccc3OCOc3c2)[C@@H]([C@](O)(N1)C(F)(F)F)[*:1]
CN(C)C(=O)[C@@H]1CN(Cc2ccc(C(N)=O)cc2)c2ccccc2O1 CN(C)C(=O)[*:1] NC(=O)c1ccc(cc1)CN1C[C@H](Oc2ccccc21)[*:1]
CN(C)C(=O)[C@@H]1CN(Cc2ccc(C(N)=O)cc2)c2ccccc2O1 NC(=O)[*:1] CN(C)C(=O)[C@@H]1CN(Cc2ccc(cc2)[*:1])c2ccccc2O1
Cc1nc(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)cs1 Cc1nc(cs1)[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1CCc1c[nH]c[nH+]1
O=C(CCn1c(=O)oc2ccccc21)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 c1csc(c1)[*:1] O=C(CCn1c(=O)oc2ccccc21)NC[C@H](c1c[nH]c2ccccc12)[*:1]
O=C(CCn1c(=O)oc2ccccc21)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(CCn1c(=O)oc2ccccc21)NC[C@H](c1cccs1)[*:1]
O=C(CCn1c(=O)oc2ccccc21)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 O=c1oc2ccccc2n1[*:1] O=C(CC[*:1])NC[C@H](c1cccs1)c1c[nH]c2ccccc12
CC[NH+]1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1 FC(F)(F)[*:1] CC[NH+]1CCN(CC1)C(=O)CN(c1cccc(c1)[*:1])S(C)(=O)=O
C[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1)C1CCOCC1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[C@@](C)(O)[*:1])C1CCOCC1
C[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1)[*:1]
O=S(=O)(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cncc(F)c1 Clc1ccc(cc1)[*:1] O=S(=O)(NC1CC[NH+](CC1)C[*:1])c1cncc(F)c1
O=S(=O)(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cncc(F)c1 Fc1cncc(c1)[*:1] O=S(=O)(NC1CC[NH+](CC1)Cc1ccc(Cl)cc1)[*:1]
O=S(=O)(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cncc(F)c1 Clc1ccc(cc1)C[*:1] O=S(=O)(NC1CC[NH+](CC1)[*:1])c1cncc(F)c1
CCc1ncc(CN2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)s1 CCc1ncc(s1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)C1CCN(CC1)C[*:1]
CCc1ncc(CN2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)s1 CCc1ncc(C[*:1])s1 C[C@@H]1CN(C[C@@H](C)O1)C(=O)C1CCN(CC1)[*:1]
C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C(/c1ccccc1)c1nonc1N c1ccc2cc(ccc2c1)[*:1] C[C@@H](O[*:1])C(=O)N/N=C(/c1ccccc1)c1nonc1N
C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C(/c1ccccc1)c1nonc1N c1ccc(cc1)[*:1] C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C(\c1nonc1N)[*:1]
C[C@H](CC1CCOCC1)[NH2+][C@H]1CCc2n[nH]cc2C1 C1CC(CCO1)[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCc2n[nH]cc2C1
CC(C)c1noc(CSCc2cc(=O)n3cc(Cl)ccc3n2)n1 CC(C)[*:1] O=c1cc(CSCc2nc(no2)[*:1])nc2ccc(Cl)cn12
OC[C@@]1(CCc2ccccc2)CCCN(c2ncnc3[nH]ccc23)C1 c1ccc(cc1)C[*:1] OC[C@]1(CCCN(C1)c1ncnc2[nH]ccc12)C[*:1]
OC[C@@]1(CCc2ccccc2)CCCN(c2ncnc3[nH]ccc23)C1 c1ccc(cc1)CC[*:1] OC[C@]1(CCCN(C1)c1ncnc2[nH]ccc12)[*:1]
OC[C@@]1(CCc2ccccc2)CCCN(c2ncnc3[nH]ccc23)C1 c1ccc(cc1)[*:1] OC[C@]1(CCCN(C1)c1ncnc2[nH]ccc12)CC[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[*:1]
NS(=O)(=O)c1ccc(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 NS(=O)(=O)[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccc(cc1)[*:1]
CCc1nc(C(=O)N(CCO)C2CCCC2)n[nH]1 C1CCC(C1)[*:1] CCc1nc(n[nH]1)C(=O)N(CCO)[*:1]
CCc1nc(C(=O)N(CCO)C2CCCC2)n[nH]1 OCC[*:1] CCc1nc(n[nH]1)C(=O)N(C1CCCC1)[*:1]
C#Cc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccco2)c1 c1coc(c1)[*:1] C#Cc1cccc(c1)NC(=O)C(=O)NC[C@H](O)[*:1]
C#Cc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccco2)c1 O[C@H](c1ccco1)[*:1] C#Cc1cccc(c1)NC(=O)C(=O)NC[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)c1 CC(=O)N(C)[*:1] Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
O=C(NCc1ccc(F)cc1)c1nnn(-c2ccccc2)c1CSc1ncccn1 c1cnc(nc1)[*:1] O=C(NCc1ccc(F)cc1)c1nnn(-c2ccccc2)c1CS[*:1]
O=C(NCc1ccc(F)cc1)c1nnn(-c2ccccc2)c1CSc1ncccn1 c1cnc(nc1)SC[*:1] O=C(NCc1ccc(F)cc1)c1nnn(-c2ccccc2)c1[*:1]
O=C(NCc1ccc(F)cc1)c1nnn(-c2ccccc2)c1CSc1ncccn1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1nnn(-c2ccccc2)c1CSc1ncccn1
O=C(NCc1ccc(F)cc1)c1nnn(-c2ccccc2)c1CSc1ncccn1 c1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)c1nnn(c1CSc1ncccn1)[*:1]
O=C(NCc1ccc(F)cc1)c1nnn(-c2ccccc2)c1CSc1ncccn1 c1cnc(nc1)S[*:1] O=C(NCc1ccc(F)cc1)c1nnn(-c2ccccc2)c1C[*:1]
O=C(NCc1ccc(F)cc1)c1nnn(-c2ccccc2)c1CSc1ncccn1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])c1nnn(-c2ccccc2)c1CSc1ncccn1
CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccccc2F)s1 Fc1ccccc1[*:1] CCN(CC)S(=O)(=O)c1nnc(NC(=O)[*:1])s1
O=C(Nc1ccc(NCC(=O)N2CCNC2=O)c(C(F)(F)F)c1)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(Nc1ccc(NCC(=O)N2CCNC2=O)c(c1)[*:1])c1ccc(F)cc1
O=C(Nc1ccc(NCC(=O)N2CCNC2=O)c(C(F)(F)F)c1)c1ccc(F)cc1 O=C(C[*:1])N1CCNC1=O O=C(Nc1ccc(N[*:1])c(c1)C(F)(F)F)c1ccc(F)cc1
O=C(Nc1ccc(NCC(=O)N2CCNC2=O)c(C(F)(F)F)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNc1ccc(cc1C(F)(F)F)NC(=O)[*:1])N1CCNC1=O
O=C(Nc1ccc(NCC(=O)N2CCNC2=O)c(C(F)(F)F)c1)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 O=C(CNc1ccc(cc1C(F)(F)F)[*:1])N1CCNC1=O
O=C(Nc1ccc(NCC(=O)N2CCNC2=O)c(C(F)(F)F)c1)c1ccc(F)cc1 O=C(CN[*:1])N1CCNC1=O O=C(Nc1ccc(c(c1)C(F)(F)F)[*:1])c1ccc(F)cc1
O=C(Nc1ccc(NCC(=O)N2CCNC2=O)c(C(F)(F)F)c1)c1ccc(F)cc1 O=C1NCCN1C(=O)[*:1] O=C(Nc1ccc(NC[*:1])c(c1)C(F)(F)F)c1ccc(F)cc1
CC1(C)Cc2cccc(OC(=O)NO)c2O1 O=C(NO)O[*:1] CC1(C)Cc2cccc(c2O1)[*:1]
CC(C)Oc1nc(N2CCN3C(=O)NC[C@@H]3C2)ccc1N CC(C)[*:1] Nc1ccc(nc1O[*:1])N1CCN2C(=O)NC[C@@H]2C1
CC(C)Oc1nc(N2CCN3C(=O)NC[C@@H]3C2)ccc1N CC(C)O[*:1] Nc1ccc(nc1[*:1])N1CCN2C(=O)NC[C@@H]2C1
O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N[C@@H]1CCS(=O)(=O)C1 c1cncc(c1)[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])N[C@@H]1CCS(=O)(=O)C1
O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C(CSc1nnc(-c2cccnc2)n1[*:1])N[C@@H]1CCS(=O)(=O)C1
CC[C@@H](CSC)N(C)C(=O)NC1CCN(C(=O)CC(C)C)CC1 CC(C)C[*:1] CC[C@@H](CSC)N(C)C(=O)NC1CCN(CC1)C(=O)[*:1]
CC[C@@H](CSC)N(C)C(=O)NC1CCN(C(=O)CC(C)C)CC1 CSC[*:1] CC[C@@H](N(C)C(=O)NC1CCN(CC1)C(=O)CC(C)C)[*:1]
CC[C@@H](CSC)N(C)C(=O)NC1CCN(C(=O)CC(C)C)CC1 CC(C)[*:1] CC[C@@H](CSC)N(C)C(=O)NC1CCN(CC1)C(=O)C[*:1]
N#Cc1csc(C[NH+]2CCC(Nc3ccccc3)CC2)c1 c1ccc(cc1)N[*:1] N#Cc1csc(c1)C[NH+]1CCC(CC1)[*:1]
N#Cc1csc(C[NH+]2CCC(Nc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] N#Cc1csc(c1)C[NH+]1CCC(CC1)N[*:1]
N#Cc1csc(C[NH+]2CCC(Nc3ccccc3)CC2)c1 N#Cc1csc(c1)[*:1] c1ccc(cc1)NC1CC[NH+](CC1)C[*:1]
C[C@H](NC(=O)Cn1cc(Br)ccc1=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)Cn1cc(Br)ccc1=O)[*:1]
Cc1cccc(OCCOc2ccc(CC[NH3+])cc2)c1 [NH3+]CC[*:1] Cc1cccc(c1)OCCOc1ccc(cc1)[*:1]
C[C@@H]1Oc2c(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cccc2[C@H]1C c1ccc2sc(nc2c1)[*:1] C[C@@H]1Oc2c(cccc2[C@H]1C)C(=O)N1CCC[C@H](C1)[*:1]
CCCNc1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)cn1 CC(=O)N[*:1] CCCNc1ncc(cn1)[C@@H]1C[C@H](C[C@@H](O1)C1CCCCC1)[*:1]
CCCNc1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)cn1 CCCN[*:1] CC(=O)N[C@H]1C[C@H](O[C@H](C1)C1CCCCC1)c1cnc(nc1)[*:1]
CCCNc1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)cn1 C1CCC(CC1)[*:1] CCCNc1ncc(cn1)[C@@H]1C[C@@H](C[C@H](O1)[*:1])NC(C)=O
CCCNc1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)cn1 CCC[*:1] CC(=O)N[C@H]1C[C@H](O[C@H](C1)C1CCCCC1)c1cnc(nc1)N[*:1]
COCCOC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 COCC[*:1] O=C(/C=C/c1cc(Cl)c2OCOc2c1)O[*:1]
COCCOC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 COC[*:1] O=C(/C=C/c1cc(Cl)c2OCOc2c1)OC[*:1]
COc1ccc(NC(=O)C(=O)NCCSc2ccc(Cl)cc2)cc1Cl Clc1ccc(cc1)S[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)NCC[*:1]
COc1ccc(NC(=O)C(=O)NCCSc2ccc(Cl)cc2)cc1Cl Clc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)NCCS[*:1]
COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Br O=[N+]([O-])[*:1] COc1ccc(/C=C/C(=O)Nc2ccc(cc2OC)[*:1])cc1Br
N/C(Cn1cccn1)=N\OCc1ccc(F)cc1F c1cnn(c1)[*:1] N/C(C[*:1])=N\OCc1ccc(F)cc1F
N/C(Cn1cccn1)=N\OCc1ccc(F)cc1F c1cnn(c1)C[*:1] N/C(=N\OCc1ccc(F)cc1F)[*:1]
C[C@@H](C(=O)N/N=C/c1ccccc1F)n1nnc2ccccc21 Fc1ccccc1[*:1] C[C@@H](C(=O)NN=C[*:1])n1nnc2ccccc21
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 CS(=O)(=O)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCCCc3ccc(O)cc3)C2)CC1 Oc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NCCC[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCCCc3ccc(O)cc3)C2)CC1 Oc1ccc(cc1)CC[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NC[*:1]
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCCCc3ccc(O)cc3)C2)CC1 Oc1ccc(cc1)C[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)NCC[*:1]
C[C@H](CNC(=O)c1ccc(Br)nc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](CNC(=O)c1ccc(Br)nc1)[*:1]
O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(NCc1cc(on1)-c1ccc2OCOc2c1)[*:1]
O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccc([N+](=O)[O-])cc1 c1cc2OCOc2cc1[*:1] O=C(NCc1cc(on1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NCc1cc(on1)-c1ccc2OCOc2c1)c1ccc(cc1)[*:1]
O/N=C(Nc1ccccc1)\C(=N/O)Nc1ccccc1 c1ccc(cc1)[*:1] O/N=C(Nc1ccccc1)\C(=N/O)N[*:1]
C[C@H](Nc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-])c1ccccc1 C[C@H](c1ccccc1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1cccc(Cl)c1
C[C@H](Nc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-])c1ccccc1 Clc1cccc(c1)N[*:1] C[C@H](Nc1ncnc(c1[N+](=O)[O-])[*:1])c1ccccc1
C[C@H](Nc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-])[*:1]
C[C@H](Nc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-])c1ccccc1 Clc1cccc(c1)[*:1] C[C@H](Nc1ncnc(N[*:1])c1[N+](=O)[O-])c1ccccc1
C[C@H](Nc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] C[C@H](Nc1ncnc(Nc2cccc(Cl)c2)c1[*:1])c1ccccc1
CC(C)(O)CC[NH2+]CCc1cccs1 CC(C)(O)[*:1] c1csc(c1)CC[NH2+]CC[*:1]
Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)[nH]n1 Fc1ccc(cc1)[*:1] Cc1cc(NC(=O)c2cnn(c2C)[*:1])[nH]n1
Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)[nH]n1 Cc1cc([nH]n1)[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)N[*:1]
CC(C)COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1 CC(C)[*:1] C[C@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)OC[*:1]
CC(C)COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1 CC(C)CO[*:1] C[C@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
CC(C)COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1 CC(C)C[*:1] C[C@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)O[*:1]
O=C(NCCC(=O)N1CCCC1)c1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCCC(=O)N1CCCC1)c1cnn(n1)[*:1]
O=C(NCCC(=O)N1CCCC1)c1cnn(-c2ccccc2)n1 O=C(N1CCCC1)[*:1] O=C(NCC[*:1])c1cnn(n1)-c1ccccc1
CCCC[C@@H](NC(N)=O)C(=O)N1CCN(C[C@@H](C)O)CC1 CCCC[*:1] C[C@@H](O)CN1CCN(CC1)C(=O)[C@H](NC(N)=O)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N1CCN(C[C@@H](C)O)CC1 C[C@@H](O)C[*:1] CCCC[C@@H](NC(N)=O)C(=O)N1CCN(CC1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N1CCN(C[C@@H](C)O)CC1 C[C@@H](O)[*:1] CCCC[C@@H](NC(N)=O)C(=O)N1CCN(CC1)C[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N1CCN(C[C@@H](C)O)CC1 CCC[*:1] C[C@@H](O)CN1CCN(CC1)C(=O)[C@@H](C[*:1])NC(N)=O
CCCC[C@@H](NC(N)=O)C(=O)N1CCN(C[C@@H](C)O)CC1 NC(=O)N[*:1] CCCC[C@@H](C(=O)N1CCN(CC1)C[C@@H](C)O)[*:1]
C/C=C/CCNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 C/C=C/C[*:1] O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[*:1]
C/C=C/CCNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 C/C=C/CC[*:1] O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[*:1]
C/C=C/CCNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 CC=C[*:1] O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCC[*:1]
Cc1cccc(CNC(=O)C(=O)Nc2ccc(C)c(Br)c2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1Br)NC(=O)C(=O)NC[*:1]
COc1cc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)CO[*:1] COc1cc(/C=C/C(=O)Nc2ccc3OCCOc3c2)ccc1[*:1]
COc1cc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1cc(/C=C/C(=O)Nc2ccc3OCCOc3c2)ccc1OC[*:1]
COc1cc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COc1cc(/C=C/C(=O)Nc2ccc3OCCOc3c2)ccc1O[*:1]
COc1cc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1ccc(Cl)cc1 c1cc2OCCOc2cc1[*:1] COc1cc(/C=C/C(=O)N[*:1])ccc1OCc1ccc(Cl)cc1
C[C@H]1C[C@H](Nc2ncc(C(N)=O)cc2Cl)CN1c1ccccc1 NC(=O)[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)Nc1ncc(cc1Cl)[*:1]
C[C@H]1C[C@H](Nc2ncc(C(N)=O)cc2Cl)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1[*:1])Nc1ncc(cc1Cl)C(N)=O
Cc1ccc(NC(=O)[C@@H]2SC(=S)n3c2nc(=O)c2cc4c(cc23)OCO4)cc1C Cc1ccc(cc1C)[*:1] O=C(N[*:1])[C@@H]1SC(=S)n2c1nc(=O)c1cc3OCOc3cc12
Cc1cnc([C@@H](C)NC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)N[C@H](C)[*:1])c1cccc(c1)N1CCCC1
Cc1cnc([C@@H](C)NC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)s1 C1CCN(C1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N[C@H](C)c1cccc(c1)[*:1]
C[C@H](c1cccs1)N(C)C(=O)Cn1cccn1 c1csc(c1)[*:1] C[C@H](N(C)C(=O)Cn1cccn1)[*:1]
C[C@H](c1cccs1)N(C)C(=O)Cn1cccn1 c1cnn(c1)[*:1] C[C@H](c1cccs1)N(C)C(=O)C[*:1]
C[C@](O)(CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 Clc1ccc(cc1Cl)[*:1] C[C@](O)(CS(=O)(=O)[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
C[C@](O)(CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@](O)(CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(c1)[*:1]
CN(C)C(=O)c1ccc(CN2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)o1 NC(=O)[*:1] CN(C)C(=O)c1ccc(CN2CCC[C@H](C2)c2[nH+]ccn2C[*:1])o1
CN(C)C(=O)c1ccc(CN2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)o1 NC(=O)C[*:1] CN(C)C(=O)c1ccc(CN2CCC[C@H](C2)c2[nH+]ccn2[*:1])o1
CN(C)C(=O)c1ccc(CN2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)o1 CN(C)C(=O)[*:1] NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(Cc2ccc(o2)[*:1])C1
O=c1ccc([N+](=O)[O-])cn1CCN1CC2(CC2)c2ccccc21 O=[N+]([O-])[*:1] O=c1ccc(cn1CCN1CC2(CC2)c2ccccc21)[*:1]
CC[NH2+][C@H](C)c1ccc(N[C@@H](C)CC)cc1 CC[C@H](C)N[*:1] CC[NH2+][C@H](C)c1ccc(cc1)[*:1]
CC[NH2+][C@H](C)c1ccc(N[C@@H](C)CC)cc1 CC[C@H](C)[*:1] CC[NH2+][C@H](C)c1ccc(cc1)N[*:1]
O[C@@H](C[C@H]1CCCN1c1ccc2nnc(C3CC3)n2n1)c1ccccc1 O[C@@H](c1ccccc1)[*:1] c1cc2nnc(C3CC3)n2nc1N1CCC[C@@H]1C[*:1]
O[C@@H](C[C@H]1CCCN1c1ccc2nnc(C3CC3)n2n1)c1ccccc1 C1CC1[*:1] O[C@@H](C[C@H]1CCCN1c1ccc2nnc(n2n1)[*:1])c1ccccc1
O[C@@H](C[C@H]1CCCN1c1ccc2nnc(C3CC3)n2n1)c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](C[C@H]1CCCN1c1ccc2nnc(C3CC3)n2n1)[*:1]
COc1cccc(C[NH+](C2CCCC2)C2CCC(O)CC2)c1 C1CCC(C1)[*:1] COc1cccc(c1)C[NH+](C1CCC(O)CC1)[*:1]
COc1cccc(C[NH+](C2CCCC2)C2CCC(O)CC2)c1 OC1CCC(CC1)[*:1] COc1cccc(c1)C[NH+](C1CCCC1)[*:1]
O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@@H]1c1ccsc1 c1cc(cs1)[*:1] O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@H]1[*:1]
Cc1c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)sc2nc3n(c(=O)c12)CCCCC3 Clc1cccc(Cl)c1[*:1] Cc1c(sc2nc3CCCCCn3c(=O)c12)C(=O)N(C)CC(=O)N[*:1]
CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 CCOC(=O)[*:1] C[C@@H](NC(=O)N1CCC[C@@H](C1)[*:1])c1cccc(C#N)c1
CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(C#N)c2)C1 N#Cc1cccc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
CCc1nc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)sc1C CC(C)C[*:1] CCc1nc(NC(=O)[C@H](N2CCCCC2=O)[*:1])sc1C
CCc1nc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)sc1C O=C1CCCCN1[*:1] CCc1nc(NC(=O)[C@H](CC(C)C)[*:1])sc1C
CCc1nc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)sc1C CC(C)[*:1] CCc1nc(NC(=O)[C@H](C[*:1])N2CCCCC2=O)sc1C
COC(=O)[C@@H](NC(=O)c1ccc(-n2cccn2)c(F)c1)c1ccc(C)cc1 c1cnn(c1)[*:1] COC(=O)[C@@H](NC(=O)c1ccc(c(F)c1)[*:1])c1ccc(C)cc1
COC(=O)[C@@H](NC(=O)c1ccc(-n2cccn2)c(F)c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@@H](NC(=O)c1ccc(c(F)c1)-n1cccn1)[*:1]
COC(=O)[C@@H](NC(=O)c1ccc(-n2cccn2)c(F)c1)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@H](NC(=O)c1ccc(c(F)c1)-n1cccn1)[*:1]
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(-c2ccc(C)cc2)n[nH]1 Cc1ccc(cc1)[*:1] CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(n[nH]1)[*:1]
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(-c2ccc(C)cc2)n[nH]1 Clc1cccc(Cl)c1[*:1] CCN(CC(=O)N[*:1])C(=O)c1cc(n[nH]1)-c1ccc(C)cc1
O=C(C[S@@](=O)Cc1ccc(F)cc1)NCC(F)(F)F FC(F)(F)[*:1] O=C(C[S@@](=O)Cc1ccc(F)cc1)NC[*:1]
O=C(C[S@@](=O)Cc1ccc(F)cc1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(C[S@@](=O)Cc1ccc(F)cc1)N[*:1]
Cc1nnc(-c2coc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)o1 Cc1nnc(o1)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1cc(co1)[*:1]
COc1ccc2nc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)OC(C)C)sc2c1 CC(C)[*:1] COc1ccc2nc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O[*:1])sc2c1
COc1ccc2nc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)OC(C)C)sc2c1 CC(C)OC(=O)[*:1] COc1ccc2nc(NC(=O)[C@H]3CC=CC[C@H]3[*:1])sc2c1
COc1ccccc1OCC(=O)Nc1cccc(CN2C(=O)[C@@H]3CCCN3C2=O)c1 COc1ccccc1[*:1] O=C(CO[*:1])Nc1cccc(c1)CN1C(=O)[C@@H]2CCCN2C1=O
COc1ccccc1OCC(=O)Nc1cccc(CN2C(=O)[C@@H]3CCCN3C2=O)c1 COc1ccccc1OC[*:1] O=C1[C@@H]2CCCN2C(=O)N1Cc1cccc(c1)NC(=O)[*:1]
COc1ccccc1OCC(=O)Nc1cccc(CN2C(=O)[C@@H]3CCCN3C2=O)c1 COc1ccccc1O[*:1] O=C(C[*:1])Nc1cccc(c1)CN1C(=O)[C@@H]2CCCN2C1=O
O=C(C[C@@H](O)c1ccccc1)NNc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])NNc1nc(no1)-c1ccccc1
O=C(C[C@@H](O)c1ccccc1)NNc1nc(-c2ccccc2)no1 O[C@@H](c1ccccc1)[*:1] O=C(C[*:1])NNc1nc(no1)-c1ccccc1
O=C(C[C@@H](O)c1ccccc1)NNc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)c1ccccc1)NNc1nc(no1)[*:1]
CN(C)c1c(Cl)cccc1NC(=O)c1ccn(-c2cccc(Br)c2)n1 CN(C)[*:1] O=C(Nc1cccc(Cl)c1[*:1])c1ccn(n1)-c1cccc(Br)c1
CN(C)c1c(Cl)cccc1NC(=O)c1ccn(-c2cccc(Br)c2)n1 Brc1cccc(c1)[*:1] CN(C)c1c(Cl)cccc1NC(=O)c1ccn(n1)[*:1]
Cc1cc(C(=O)NCCc2nc3cc(C)c(C)cc3[nH]2)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1cc(nc(n1)[*:1])C(=O)NCCc1nc2cc(C)c(C)cc2[nH]1
c1ccc(CO[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)[C@@H](C[NH+]1CCCCC1)OC[*:1]
c1ccc(CO[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)[C@@H](C[NH+]1CCCCC1)O[*:1]
c1ccc(CO[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)CO[C@H](C[NH+]1CCCCC1)[*:1]
Cc1noc(-c2ccccc2C(=O)NC[C@H](C)C(=O)OC(C)C)n1 Cc1noc(n1)[*:1] CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccccc1[*:1]
Cc1noc(-c2ccccc2C(=O)NC[C@H](C)C(=O)OC(C)C)n1 CC(C)[*:1] Cc1noc(n1)-c1ccccc1C(=O)NC[C@H](C)C(=O)O[*:1]
Cc1noc(-c2ccccc2C(=O)NC[C@H](C)C(=O)OC(C)C)n1 CC(C)OC(=O)[*:1] Cc1noc(n1)-c1ccccc1C(=O)NC[C@H](C)[*:1]
C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 Fc1ccc(c(F)c1F)[*:1] C[C@@H](C(=O)N[*:1])[NH+]1CCN(CC1)Cc1ccc(Cl)s1
C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCN(CC1)C[*:1]
C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 Clc1ccc(C[*:1])s1 C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCN(CC1)[*:1]
O=C(Cc1ccc[nH]1)NCc1ccc(C(F)(F)F)cc1 c1c[nH]c(c1)C[*:1] O=C(NCc1ccc(cc1)C(F)(F)F)[*:1]
O=C(Cc1ccc[nH]1)NCc1ccc(C(F)(F)F)cc1 c1c[nH]c(c1)[*:1] O=C(C[*:1])NCc1ccc(cc1)C(F)(F)F
O=C(Cc1ccc[nH]1)NCc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(Cc1ccc[nH]1)NCc1ccc(cc1)[*:1]
CCOC(=O)[C@@H]1CCc2sc(NC(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)nc21 CCOC(=O)[*:1] Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1nc2c(CC[C@H]2[*:1])s1
Cc1noc(C)c1CCNC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] Cc1noc(C)c1CCNC(=O)C[*:1]
Cc1noc(C)c1CCNC(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] Cc1noc(C)c1CCNC(=O)[*:1]
Cn1ccnc1CN1CCCN(C(=O)C[C@@H]2C=CCC2)CC1 Cn1ccnc1[*:1] O=C(C[C@@H]1C=CCC1)N1CCCN(CC1)C[*:1]
Cn1ccnc1CN1CCCN(C(=O)C[C@@H]2C=CCC2)CC1 Cn1ccnc1C[*:1] O=C(C[C@@H]1C=CCC1)N1CCCN(CC1)[*:1]
O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(NC(=O)C2CC2)s1 C1CC1[*:1] O=C(Nc1ccc2OC3(CCCC3)Oc2c1)c1ccc(NC(=O)[*:1])s1
O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(NC(=O)C2CC2)s1 O=C(N[*:1])C1CC1 O=C(Nc1ccc2OC3(CCCC3)Oc2c1)c1ccc(s1)[*:1]
COc1c(C)cnc(CNC(=O)CCC(C)C)c1C CC(C)C[*:1] COc1c(C)cnc(CNC(=O)C[*:1])c1C
COc1c(C)cnc(CNC(=O)CCC(C)C)c1C CC(C)[*:1] COc1c(C)cnc(CNC(=O)CC[*:1])c1C
COc1c(C)cnc(CNC(=O)CCC(C)C)c1C CC(C)CC[*:1] COc1c(C)cnc(CNC(=O)[*:1])c1C
CCCC(=O)N1CCc2nc(-c3ccc(OC)c(OC)c3)sc2C1 CCC[*:1] COc1ccc(cc1OC)-c1nc2CCN(Cc2s1)C(=O)[*:1]
O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2cccnc2)C1 c1ccc(cc1)CC[*:1] O=C(Cc1cccnc1)N1CCC[C@@H](C1)C(=O)[*:1]
O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2cccnc2)C1 c1cncc(c1)[*:1] O=C(CCc1ccccc1)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2cccnc2)C1 c1ccc(cc1)[*:1] O=C(CC[*:1])[C@H]1CCCN(C1)C(=O)Cc1cccnc1
O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2cccnc2)C1 c1cncc(c1)C[*:1] O=C(CCc1ccccc1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2cccnc2)C1 c1ccc(cc1)C[*:1] O=C(C[*:1])[C@H]1CCCN(C1)C(=O)Cc1cccnc1
CC[C@H](C(=O)Nc1cc(C)on1)N1CCN(C(=O)c2ccccc2O)CC1 Cc1cc(no1)NC(=O)[*:1] CC[C@H](N1CCN(CC1)C(=O)c1ccccc1O)[*:1]
CC[C@H](C(=O)Nc1cc(C)on1)N1CCN(C(=O)c2ccccc2O)CC1 Cc1cc(no1)[*:1] CC[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1ccccc1O
CC[C@H](C(=O)Nc1cc(C)on1)N1CCN(C(=O)c2ccccc2O)CC1 Oc1ccccc1[*:1] CC[C@H](C(=O)Nc1cc(C)on1)N1CCN(CC1)C(=O)[*:1]
C[C@H](Oc1ccccc1)C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O c1ccc(cc1)O[*:1] C[C@H](C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O)[*:1]
C[C@H](Oc1ccccc1)C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O c1ccc(nc1)[*:1] C[C@H](Oc1ccccc1)C(=O)NCCn1nc(n(C)c1=O)[*:1]
C[C@H](Oc1ccccc1)C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O C[C@H](Oc1ccccc1)[*:1] Cn1c(nn(CCNC(=O)[*:1])c1=O)-c1ccccn1
C[C@H](Oc1ccccc1)C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O
C[NH+]1CCN(C(=O)c2cccc(NC(=O)CCc3cccc(N)c3)c2)CC1 Nc1cccc(c1)[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)CC[*:1]
C[NH+]1CCN(C(=O)c2cccc(NC(=O)CCc3cccc(N)c3)c2)CC1 Nc1cccc(c1)CC[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)[*:1]
C[NH+]1CCN(C(=O)c2cccc(NC(=O)CCc3cccc(N)c3)c2)CC1 Nc1cccc(c1)C[*:1] C[NH+]1CCN(CC1)C(=O)c1cccc(c1)NC(=O)C[*:1]
C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1 CC(C)(C)[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C1)[*:1])c1ccc(F)cc1
CCc1ccc(-c2nc(C)c(C(=O)N(CC)CC(C)(C)O)s2)cc1 CC(C)(O)C[*:1] CCc1ccc(cc1)-c1nc(C)c(s1)C(=O)N(CC)[*:1]
CCc1ccc(-c2nc(C)c(C(=O)N(CC)CC(C)(C)O)s2)cc1 CCc1ccc(cc1)[*:1] CCN(CC(C)(C)O)C(=O)c1sc(nc1C)[*:1]
CCc1ccc(-c2nc(C)c(C(=O)N(CC)CC(C)(C)O)s2)cc1 CC(C)(O)[*:1] CCc1ccc(cc1)-c1nc(C)c(s1)C(=O)N(CC)C[*:1]
CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] CN(Cc1nc(no1)-c1ccncc1)S(=O)(=O)[*:1]
CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1cc(Cl)ccc1Cl c1cc(ccn1)[*:1] CN(Cc1nc(no1)[*:1])S(=O)(=O)c1cc(Cl)ccc1Cl
Cc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](C)Sc2ncccc2Cl)c1C Clc1cccnc1S[*:1] Cc1ccc(c(NC(=O)[C@@H](C)[*:1])c1C)[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](C)Sc2ncccc2Cl)c1C O=[N+]([O-])[*:1] Cc1ccc(c(NC(=O)[C@@H](C)Sc2ncccc2Cl)c1C)[*:1]
Cc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](C)Sc2ncccc2Cl)c1C Clc1cccnc1[*:1] Cc1ccc(c(NC(=O)[C@@H](C)S[*:1])c1C)[N+](=O)[O-]
Cc1c(Br)c(C(=O)[O-])nn1-c1ccccc1 O=C([O-])[*:1] Cc1c(Br)c(nn1-c1ccccc1)[*:1]
COc1ccc(-c2nc(NC(=O)c3ccco3)sc2-c2ccccc2)cc1 O=C(N[*:1])c1ccco1 COc1ccc(cc1)-c1nc(sc1-c1ccccc1)[*:1]
COc1ccc(-c2nc(NC(=O)c3ccco3)sc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(NC(=O)c2ccco2)sc1[*:1]
COc1ccc(-c2nc(NC(=O)c3ccco3)sc2-c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nc(c(s1)-c1ccccc1)[*:1])c1ccco1
COc1ccc(-c2nc(NC(=O)c3ccco3)sc2-c2ccccc2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)-c1nc(NC(=O)[*:1])sc1-c1ccccc1
O=C([C@@H](c1cccnc1)N1CCCC1)N1CCC(O)(CO)CC1 C1CCN(C1)[*:1] O=C([C@@H](c1cccnc1)[*:1])N1CCC(O)(CO)CC1
O=C([C@@H](c1cccnc1)N1CCCC1)N1CCC(O)(CO)CC1 c1cncc(c1)[*:1] O=C([C@@H](N1CCCC1)[*:1])N1CCC(O)(CO)CC1
CCc1ccc([C@@H]2COCCN2Cc2ccccc2N(C)C)o1 CN(C)[*:1] CCc1ccc(o1)[C@@H]1COCCN1Cc1ccccc1[*:1]
CCc1ccc([C@@H]2COCCN2Cc2ccccc2N(C)C)o1 CCc1ccc(o1)[*:1] CN(C)c1ccccc1CN1CCOC[C@H]1[*:1]
COc1ccc(C[NH2+]CC2CCCCC2)cc1[N+](=O)[O-] C1CCC(CC1)[*:1] COc1ccc(cc1[N+](=O)[O-])C[NH2+]C[*:1]
COc1ccc(C[NH2+]CC2CCCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C[NH2+]CC1CCCCC1
Cc1onc(-c2ccncn2)c1C(=O)NCCNC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1onc(-c2ccncn2)c1C(=O)NCCNC(=O)NC[*:1]
Cc1onc(-c2ccncn2)c1C(=O)NCCNC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1onc(-c2ccncn2)c1C(=O)NCCNC(=O)N[*:1]
Cc1onc(-c2ccncn2)c1C(=O)NCCNC(=O)NCc1ccccc1 c1cc(ncn1)[*:1] Cc1onc(c1C(=O)NCCNC(=O)NCc1ccccc1)[*:1]
O=C(NNC(=O)c1cc2ccccc2o1)c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(NNC(=O)[*:1])c1cc2ccccc2o1
CCOc1ccccc1OCCn1c(C=O)nc2ccccc21 CCO[*:1] O=Cc1nc2ccccc2n1CCOc1ccccc1[*:1]
CCOc1ccc(-n2nc(CC(C)=O)[nH]c2=S)cc1 CCO[*:1] CC(=O)Cc1nn(-c2ccc(cc2)[*:1])c(=S)[nH]1
CCOc1ccc(-n2nc(CC(C)=O)[nH]c2=S)cc1 CC(=O)C[*:1] CCOc1ccc(cc1)-n1nc([nH]c1=S)[*:1]
CCOc1ccc(-n2nc(CC(C)=O)[nH]c2=S)cc1 CC(=O)[*:1] CCOc1ccc(cc1)-n1nc(C[*:1])[nH]c1=S
CN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)[*:1]
CN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc(Cl)c1 Clc1ccc(Cl)c(c1)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1cccc(Cl)c1
CN(Cc1ccccc1)C(=O)CCNC(=O)N[C@H]1CCCC1(C)C c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCNC(=O)N[C@H]1CCCC1(C)C
CN(Cc1ccccc1)C(=O)CCNC(=O)N[C@H]1CCCC1(C)C c1ccc(cc1)C[*:1] CN(C(=O)CCNC(=O)N[C@H]1CCCC1(C)C)[*:1]
Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 c1coc(c1)[*:1] Cc1cc(ccc1NC(=O)c1cc(nn1-c1ccccc1)[*:1])C(=O)N1CCSCC1
Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 O=C(N1CCSCC1)[*:1] Cc1cc(ccc1NC(=O)c1cc(nn1-c1ccccc1)-c1ccco1)[*:1]
Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1NC(=O)c1cc(nn1[*:1])-c1ccco1)C(=O)N1CCSCC1
CS(=O)(=O)[N-]c1ccc(OC(=O)c2cccc(-n3cccc3)c2)cc1 c1ccn(c1)[*:1] CS(=O)(=O)[N-]c1ccc(cc1)OC(=O)c1cccc(c1)[*:1]
O=C(Nc1cccc(-c2nnnn2C2CC2)c1)N1CCCC1 C1CC1[*:1] O=C(Nc1cccc(c1)-c1nnnn1[*:1])N1CCCC1
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/c1cccnc1 C(=Nc1cccnc1)[*:1] Cc1nn(-c2ccccc2)c(c1[*:1])N1CCCCC1
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/c1cccnc1 C1CCN(CC1)[*:1] Cc1nn(-c2ccccc2)c(c1/C=N/c1cccnc1)[*:1]
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/c1cccnc1 c1ccc(cc1)[*:1] Cc1nn(c(c1/C=N/c1cccnc1)N1CCCCC1)[*:1]
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/c1cccnc1 c1cncc(c1)[*:1] Cc1nn(-c2ccccc2)c(c1C=N[*:1])N1CCCCC1
COc1cccc(/C=C2\SC(=O)N(CCC(=O)Nc3ccc4nccnc4c3)C2=O)c1 COc1cccc(c1)[*:1] O=C(CCN1C(=O)SC(=C[*:1])C1=O)Nc1ccc2nccnc2c1
COc1cccc(/C=C2\SC(=O)N(CCC(=O)Nc3ccc4nccnc4c3)C2=O)c1 c1cnc2cc(ccc2n1)[*:1] COc1cccc(/C=C2\SC(=O)N(CCC(=O)N[*:1])C2=O)c1
CC[C@H](C#N)Oc1cccc(CNC(=O)/C(C#N)=C\c2ccco2)c1 c1coc(c1)[*:1] CC[C@H](C#N)Oc1cccc(c1)CNC(=O)C(C#N)=C[*:1]
CCOC[C@H]1CCN(C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)C1 CCO[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)C1 CCOC[*:1] CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CC[C@@H](C1)[*:1]
CC(=O)c1ccc(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)nc1 c1cncc(c1)[*:1] CC(=O)c1ccc(nc1)N1CCOc2c(O)cc(cc2C1)[*:1]
CC(=O)c1ccc(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)nc1 CC(=O)c1ccc(nc1)[*:1] Oc1cc(cc2CN(CCOc12)[*:1])-c1cccnc1
CC(=O)c1ccc(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)nc1 CC(=O)[*:1] Oc1cc(cc2CN(CCOc12)c1ccc(cn1)[*:1])-c1cccnc1
[NH3+][C@H]1CC[C@@H](N(Cc2ccsc2)C2CC2)C1 C1CC1[*:1] [NH3+][C@H]1CC[C@H](C1)N(Cc1ccsc1)[*:1]
[NH3+][C@H]1CC[C@@H](N(Cc2ccsc2)C2CC2)C1 c1cc(cs1)[*:1] [NH3+][C@H]1CC[C@H](C1)N(C[*:1])C1CC1
C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)C(=O)OC(C)(C)C CC(C)(C)OC(=O)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1ccc(F)cc1N(C)C
C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)C(=O)O[*:1]
C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)C(=O)OC(C)(C)C CN(C)[*:1] C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[*:1])C(=O)OC(C)(C)C
CC(C)c1ccc(/C=C/CC(=O)N2C[C@H](CO)OC[C@@H]2C)cc1 CC(C)[*:1] C[C@H]1CO[C@@H](CO)CN1C(=O)C/C=C/c1ccc(cc1)[*:1]
O=C([O-])[C@H](c1c[nH]c2cc(F)ccc12)[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([O-])[C@H](c1c[nH]c2cc(F)ccc12)[NH+]1CCN(CC1)[*:1]
CCOCC(=O)Nc1nc2ccc(CC)cc2s1 CCOC[*:1] CCc1ccc2nc(NC(=O)[*:1])sc2c1
CCOCC(=O)Nc1nc2ccc(CC)cc2s1 CCO[*:1] CCc1ccc2nc(NC(=O)C[*:1])sc2c1
COc1ccc(C[C@H](C)CNC(=O)[C@H]2OCCc3ccccc32)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@H]1OCCc2ccccc21)C[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C Cc1nn(C)cc1[*:1] C[C@H]1CN(CCN1C(=O)N[C@H](C)[*:1])Cc1ccccc1
Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C c1ccc(cc1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(C[C@@H]1C)C[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C c1ccc(cc1)C[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(C[C@@H]1C)[*:1]
COc1ccc([C@H]2C[C@@](O)(C(C)(C)O)ON2)cc1 CC(C)(O)[*:1] COc1ccc(cc1)[C@H]1C[C@@](O)(ON1)[*:1]
O=C(CCCNC(=O)c1cnc2cc(-c3ccccc3)[nH]n2c1=O)Nc1cccc(Cl)c1 O=C(Nc1cccc(Cl)c1)[*:1] O=C(NCCC[*:1])c1cnc2cc([nH]n2c1=O)-c1ccccc1
O=C(CCCNC(=O)c1cnc2cc(-c3ccccc3)[nH]n2c1=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(CCCNC(=O)c1cnc2cc([nH]n2c1=O)-c1ccccc1)N[*:1]
O=C(CCCNC(=O)c1cnc2cc(-c3ccccc3)[nH]n2c1=O)Nc1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C(CCCNC(=O)c1cnc2cc([nH]n2c1=O)[*:1])Nc1cccc(Cl)c1
Cc1nc(C[C@H](NC(=O)CCc2ccccc2)c2ccccc2)cc(=O)[nH]1 c1ccc(cc1)[*:1] Cc1nc(cc(=O)[nH]1)C[C@H](NC(=O)CCc1ccccc1)[*:1]
Cc1nc(C[C@H](NC(=O)CCc2ccccc2)c2ccccc2)cc(=O)[nH]1 c1ccc(cc1)CC[*:1] Cc1nc(cc(=O)[nH]1)C[C@H](NC(=O)[*:1])c1ccccc1
Cc1nc(C[C@H](NC(=O)CCc2ccccc2)c2ccccc2)cc(=O)[nH]1 c1ccc(cc1)[*:1] Cc1nc(cc(=O)[nH]1)C[C@H](NC(=O)CC[*:1])c1ccccc1
Cc1nc(C[C@H](NC(=O)CCc2ccccc2)c2ccccc2)cc(=O)[nH]1 c1ccc(cc1)C[*:1] Cc1nc(cc(=O)[nH]1)C[C@H](NC(=O)C[*:1])c1ccccc1
COc1cccc(C(=O)Nc2cc(-c3ccncc3)nn2C)c1OC c1cc(ccn1)[*:1] COc1cccc(C(=O)Nc2cc(nn2C)[*:1])c1OC
C=C(C)COc1cccc(NC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)c1 C=C(C)C[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)Nc1cccc(c1)O[*:1]
C=C(C)COc1cccc(NC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)c1 C=C(C)[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)Nc1cccc(c1)OC[*:1]
C=C(C)COc1cccc(NC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)c1 C=C(C)CO[*:1] CC(C)(C)C(=O)N1CCCN(CC1)C(=O)Nc1cccc(c1)[*:1]
C=C(C)COc1cccc(NC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)c1 CC(C)(C)[*:1] C=C(C)COc1cccc(c1)NC(=O)N1CCCN(CC1)C(=O)[*:1]
O=C1C(=O)N(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc21 Fc1ccc(cc1)[*:1] O=C1C(=O)N(CN2CCN(CC2)[*:1])c2ccccc21
CCC[C@@H](NS(=O)(=O)c1ccc(C)c(F)c1)C(=O)OC COC(=O)[*:1] CCC[C@@H](NS(=O)(=O)c1ccc(C)c(F)c1)[*:1]
CCC[C@@H](NS(=O)(=O)c1ccc(C)c(F)c1)C(=O)OC CCC[*:1] COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(F)c1)[*:1]
Cc1cc(C)cc(C(=O)NCC(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)N[*:1]
Cc1cc(C)cc(C(=O)NCC(=O)NC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)NC[*:1]
CN(C(=O)c1ccc(=O)n(C)n1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(=O)n(C)n1)[*:1]
C[NH+](C)CCN1C[C@H](C(=O)Nc2ccccc2OC(C)(C)C)CC1=O CC(C)(C)[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)Nc1ccccc1O[*:1]
C[NH+](C)CCN1C[C@H](C(=O)Nc2ccccc2OC(C)(C)C)CC1=O CC(C)(C)O[*:1] C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
NC(=O)c1ccc(NC(=O)Cc2ccc(F)c(F)c2)c(F)c1 NC(=O)[*:1] O=C(Cc1ccc(F)c(F)c1)Nc1ccc(cc1F)[*:1]
COc1ccccc1-n1nc(C(C)C)nc1-c1cccc(-n2cnnc2)n1 CC(C)[*:1] COc1ccccc1-n1nc(nc1-c1cccc(n1)-n1cnnc1)[*:1]
COc1ccccc1-n1nc(C(C)C)nc1-c1cccc(-n2cnnc2)n1 c1nncn1[*:1] COc1ccccc1-n1nc(nc1-c1cccc(n1)[*:1])C(C)C
COc1ccccc1-n1nc(C(C)C)nc1-c1cccc(-n2cnnc2)n1 COc1ccccc1[*:1] CC(C)c1nc(-c2cccc(n2)-n2cnnc2)n(n1)[*:1]
O=C(C[NH2+]C1CCCCC1)N1CCc2sccc2C1 C1CCC(CC1)[*:1] O=C(C[NH2+][*:1])N1CCc2sccc2C1
Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 Fc1cccc(c1)[*:1] Nc1ncc(c(n1)[C@H]1CCCN(C1)C(=O)C1CCCC1)[*:1]
Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 C1CCC(C1)[*:1] Nc1ncc(-c2cccc(F)c2)c(n1)[C@H]1CCCN(C1)C(=O)[*:1]
CCO[C@@H]1CCCC(C)(C)[C@@H]1[NH2+]C CCO[*:1] C[NH2+][C@@H]1[C@@H](CCCC1(C)C)[*:1]
CCOC(=O)c1c(C)n(CCNC(C)=O)c2cc(Br)c(OC)cc12 CCOC(=O)[*:1] COc1cc2c(c(C)n(CCNC(C)=O)c2cc1Br)[*:1]
CCOC(=O)c1c(C)n(CCNC(C)=O)c2cc(Br)c(OC)cc12 CC(=O)NC[*:1] CCOC(=O)c1c(C)n(C[*:1])c2cc(Br)c(cc12)OC
CCOC(=O)c1c(C)n(CCNC(C)=O)c2cc(Br)c(OC)cc12 CC(=O)N[*:1] CCOC(=O)c1c(C)n(CC[*:1])c2cc(Br)c(cc12)OC
CCOC(=O)c1c(C)n(CCNC(C)=O)c2cc(Br)c(OC)cc12 CC(=O)NCC[*:1] CCOC(=O)c1c(C)n(c2cc(Br)c(cc12)OC)[*:1]
Nc1cccc([C@@H](C[N+](=O)[O-])O[C@H]2CCCCO2)c1 C1CC[C@@H](OC1)[*:1] Nc1cccc(c1)[C@@H](C[N+](=O)[O-])O[*:1]
Nc1cccc([C@@H](C[N+](=O)[O-])O[C@H]2CCCCO2)c1 O=[N+]([O-])[*:1] Nc1cccc(c1)[C@@H](C[*:1])O[C@H]1CCCCO1
Nc1cccc([C@@H](C[N+](=O)[O-])O[C@H]2CCCCO2)c1 O=[N+]([O-])C[*:1] Nc1cccc(c1)[C@@H](O[C@H]1CCCCO1)[*:1]
C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nccs1 c1csc(n1)[*:1] C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[*:1]
C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nccs1 c1csc(C[*:1])n1 C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[*:1]
c1ccc(-c2n[nH]c(C3CCC3)n2)cc1 C1CC(C1)[*:1] c1ccc(cc1)-c1n[nH]c(n1)[*:1]
CC[C@H](NC(=O)Nc1cc(C)on1)c1nc(-c2ccccc2)c[nH]1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)Nc1cc(C)on1)c1nc(c[nH]1)[*:1]
CC[C@H](NC(=O)Nc1cc(C)on1)c1nc(-c2ccccc2)c[nH]1 Cc1cc(no1)[*:1] CC[C@H](NC(=O)N[*:1])c1nc(c[nH]1)-c1ccccc1
CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
CC[C@H](CSC)N(C)C(=O)c1cccc(C)c1F CSC[*:1] CC[C@H](N(C)C(=O)c1cccc(C)c1F)[*:1]
CN1CCO[C@@H](COc2cc3c(cc2CC[NH3+])OCO3)C1 CN1CCO[C@@H](C1)[*:1] [NH3+]CCc1cc2OCOc2cc1OC[*:1]
CN1CCO[C@@H](COc2cc3c(cc2CC[NH3+])OCO3)C1 [NH3+]CC[*:1] CN1CCO[C@@H](COc2cc3OCOc3cc2[*:1])C1
COCCN(Cc1cnc2ccc(Br)cn12)[C@H](C)C(N)=O C[C@H](C(N)=O)[*:1] COCCN(Cc1cnc2ccc(Br)cn12)[*:1]
COCCN(Cc1cnc2ccc(Br)cn12)[C@H](C)C(N)=O NC(=O)[*:1] COCCN(Cc1cnc2ccc(Br)cn12)[C@H](C)[*:1]
COCCN(Cc1cnc2ccc(Br)cn12)[C@H](C)C(N)=O COCC[*:1] C[C@H](C(N)=O)N(Cc1cnc2ccc(Br)cn12)[*:1]
COCCN(Cc1cnc2ccc(Br)cn12)[C@H](C)C(N)=O COC[*:1] C[C@H](C(N)=O)N(Cc1cnc2ccc(Br)cn12)C[*:1]
Cc1ccccc1[C@@H]1CN(c2ncccn2)CCO1 c1cnc(nc1)[*:1] Cc1ccccc1[C@@H]1CN(CCO1)[*:1]
N#CC1=C2SC[C@](O)(c3ccco3)N2C(=O)C[C@H]1c1ccccc1F c1coc(c1)[*:1] N#CC1=C2SC[C@](O)(N2C(=O)C[C@H]1c1ccccc1F)[*:1]
N#CC1=C2SC[C@](O)(c3ccco3)N2C(=O)C[C@H]1c1ccccc1F Fc1ccccc1[*:1] N#CC1=C2SC[C@](O)(c3ccco3)N2C(=O)C[C@@H]1[*:1]
O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(cc1)[*:1]
O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(cc1)OC[*:1]
O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(cc1)O[*:1]
Cc1ccsc1C(=O)NC[C@H]1Cc2cccc(-c3ccccn3)c2O1 Cc1ccsc1[*:1] O=C(NC[C@H]1Cc2cccc(-c3ccccn3)c2O1)[*:1]
Cc1ccsc1C(=O)NC[C@H]1Cc2cccc(-c3ccccn3)c2O1 c1ccc(nc1)[*:1] Cc1ccsc1C(=O)NC[C@H]1Cc2cccc(c2O1)[*:1]
CCN(CC(C)C)C(=O)c1cnc2ccc(C)cn12 CC(C)[*:1] CCN(C[*:1])C(=O)c1cnc2ccc(C)cn12
CCN(CC(C)C)C(=O)c1cnc2ccc(C)cn12 CC(C)C[*:1] CCN(C(=O)c1cnc2ccc(C)cn12)[*:1]
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)C(C#N)=C[*:1]
Cc1cc(C)n(-c2cc(NC[C@@H](C)c3ccccc3)ncn2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1cc(ncn1)NC[C@@H](C)[*:1]
Cc1cc(C)n(-c2cc(NC[C@@H](C)c3ccccc3)ncn2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNc1cc(ncn1)[*:1])c1ccccc1
CCn1c(Cn2ncnc2-c2cccc(C#N)c2)nc2cc(F)ccc21 N#Cc1cccc(c1)[*:1] CCn1c(Cn2ncnc2[*:1])nc2cc(F)ccc21
COC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)nc1 c1cc(ccn1)[*:1] COC(=O)c1ccc(nc1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)nc1 COC(=O)[*:1] C[C@H](NC(=O)c1ccc(cn1)[*:1])c1ccc(cc1)-c1ccncc1
Cc1cc2ccccc2n1CC(=O)N[C@H](C)CCCO C[C@H](CCCO)[*:1] Cc1cc2ccccc2n1CC(=O)N[*:1]
Cc1cc2ccccc2n1CC(=O)N[C@H](C)CCCO OCC[*:1] Cc1cc2ccccc2n1CC(=O)N[C@H](C)C[*:1]
Cc1cc2ccccc2n1CC(=O)N[C@H](C)CCCO OCCC[*:1] Cc1cc2ccccc2n1CC(=O)N[C@H](C)[*:1]
CON(C)C(=O)[C@H](NC(=O)c1ccccc1)C(C)C CON(C)C(=O)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1)[*:1]
CON(C)C(=O)[C@H](NC(=O)c1ccccc1)C(C)C CC(C)[*:1] CON(C)C(=O)[C@H](NC(=O)c1ccccc1)[*:1]
CON(C)C(=O)[C@H](NC(=O)c1ccccc1)C(C)C c1ccc(cc1)[*:1] CON(C)C(=O)[C@H](NC(=O)[*:1])C(C)C
C[C@H](OC(=O)/C=C/c1cnn(-c2ccccc2)c1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)/C=C/c1cnn(c1)-c1ccccc1)[*:1]
C[C@H](OC(=O)/C=C/c1cnn(-c2ccccc2)c1)c1nccs1 c1ccc(cc1)[*:1] C[C@H](OC(=O)/C=C/c1cnn(c1)[*:1])c1nccs1
C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 C[C@@H]1OCC[C@@H]1[*:1] O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[*:1]
C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc2c(c1)NC(=O)CO2 CC(C)(C)[*:1] C[C@H]([NH2+]Cc1cnn(c1)[*:1])c1ccc2OCC(=O)Nc2c1
CN(C)C(=O)[C@H](NC[C@H]1COc2ccccc2O1)c1ccccc1 CN(C)C(=O)[*:1] c1ccc(cc1)[C@@H](NC[C@H]1COc2ccccc2O1)[*:1]
CN(C)C(=O)[C@H](NC[C@H]1COc2ccccc2O1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](NC[C@H]1COc2ccccc2O1)[*:1]
O=C(Nc1cccnc1)[C@H]1CCCN(c2nnc3ccc(Cl)cn23)C1 c1cncc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nnc2ccc(Cl)cn12
C[C@@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2ccc(F)cc2F)n1 Fc1ccc(c(F)c1)[*:1] C[C@@H](CN(C)C(=O)OC(C)(C)C)c1noc(n1)[*:1]
C[C@@H](CN(C)C(=O)OC(C)(C)C)c1noc(-c2ccc(F)cc2F)n1 CC(C)(C)[*:1] C[C@@H](CN(C)C(=O)O[*:1])c1noc(n1)-c1ccc(F)cc1F
CCS[C@@H]1CCCCN(C(=O)NCCCCn2cc[nH+]c2C)C1 CCS[*:1] Cc1[nH+]ccn1CCCCNC(=O)N1CCCC[C@H](C1)[*:1]
Cc1ncsc1CCC(=O)N[C@H]1CCCCNC1=O Cc1ncsc1[*:1] O=C(CC[*:1])N[C@H]1CCCCNC1=O
Cc1[nH]c(CN2CCO[C@@H](CCNC(=O)NC(C)C)C2)c[nH+]1 CC(C)NC(=O)N[*:1] Cc1[nH]c(c[nH+]1)CN1CCO[C@@H](CC[*:1])C1
Cc1[nH]c(CN2CCO[C@@H](CCNC(=O)NC(C)C)C2)c[nH+]1 CC(C)[*:1] Cc1[nH]c(c[nH+]1)CN1CCO[C@@H](CCNC(=O)N[*:1])C1
C[C@H](OCCCNC(=O)Nc1cccc2c1OCCO2)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(NCCCO[*:1])Nc1cccc2OCCOc12
C[C@H](OCCCNC(=O)Nc1cccc2c1OCCO2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](OCCCNC(=O)Nc1cccc2OCCOc12)[*:1]
C[C@@H](CCNC(=O)c1cnc(Oc2ccccc2)cn1)[S@](C)=O c1ccc(cc1)[*:1] C[C@@H](CCNC(=O)c1cnc(cn1)O[*:1])[S@](C)=O
C[C@@H](CCNC(=O)c1cnc(Oc2ccccc2)cn1)[S@](C)=O c1ccc(cc1)O[*:1] C[C@@H](CCNC(=O)c1cnc(cn1)[*:1])[S@](C)=O
Cc1ccccc1-n1ccnc1SCC(=O)Nc1c(F)cccc1N1CCCC1 Cc1ccccc1[*:1] O=C(CSc1nccn1[*:1])Nc1c(F)cccc1N1CCCC1
Cc1ccccc1-n1ccnc1SCC(=O)Nc1c(F)cccc1N1CCCC1 C1CCN(C1)[*:1] Cc1ccccc1-n1ccnc1SCC(=O)Nc1c(F)cccc1[*:1]
CC(C)[C@@H](C(=O)N(C)CCc1cccs1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] CN(CCc1cccs1)C(=O)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC(C)[C@@H](C(=O)N(C)CCc1cccs1)N1C(=O)c2ccccc2C1=O c1csc(c1)C[*:1] CC(C)[C@@H](C(=O)N(C)C[*:1])N1C(=O)c2ccccc2C1=O
CC(C)[C@@H](C(=O)N(C)CCc1cccs1)N1C(=O)c2ccccc2C1=O c1csc(c1)[*:1] CC(C)[C@@H](C(=O)N(C)CC[*:1])N1C(=O)c2ccccc2C1=O
CC(C)[C@@H](C(=O)N(C)CCc1cccs1)N1C(=O)c2ccccc2C1=O c1csc(c1)CC[*:1] CC(C)[C@@H](C(=O)N(C)[*:1])N1C(=O)c2ccccc2C1=O
CN(CCn1cnnc1)C(=O)c1cnc([C@@H]2CCCO2)s1 c1nncn1CC[*:1] CN(C(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
CN(CCn1cnnc1)C(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CN(CCn1cnnc1)C(=O)c1cnc(s1)[*:1]
CN(CCn1cnnc1)C(=O)c1cnc([C@@H]2CCCO2)s1 c1nncn1C[*:1] CN(C[*:1])C(=O)c1cnc(s1)[C@@H]1CCCO1
CN(CCn1cnnc1)C(=O)c1cnc([C@@H]2CCCO2)s1 c1nncn1[*:1] CN(CC[*:1])C(=O)c1cnc(s1)[C@@H]1CCCO1
CC(C)N(C)C(=O)c1ccc(F)cc1I CC(C)[*:1] CN(C(=O)c1ccc(F)cc1I)[*:1]
CCC(=O)N1CCc2[nH]cnc2C12CCN(c1nccc(C3CCCC3)n1)CC2 C1CCC(C1)[*:1] CCC(=O)N1CCc2[nH]cnc2C12CCN(CC2)c1nccc(n1)[*:1]
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc3ccccc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] N#C/C(=C\c1cccc2ccccc12)C(=O)N[*:1]
Nc1c(NCCc2cccs2)ncnc1NNC(=O)c1ccccc1 c1ccc(cc1)[*:1] Nc1c(ncnc1NNC(=O)[*:1])NCCc1cccs1
Nc1c(NCCc2cccs2)ncnc1NNC(=O)c1ccccc1 c1csc(c1)[*:1] Nc1c(ncnc1NNC(=O)c1ccccc1)NCC[*:1]
Nc1c(NCCc2cccs2)ncnc1NNC(=O)c1ccccc1 c1csc(c1)C[*:1] Nc1c(ncnc1NNC(=O)c1ccccc1)NC[*:1]
Nc1c(NCCc2cccs2)ncnc1NNC(=O)c1ccccc1 c1csc(c1)CC[*:1] Nc1c(ncnc1N[*:1])NNC(=O)c1ccccc1
Nc1c(NCCc2cccs2)ncnc1NNC(=O)c1ccccc1 c1csc(c1)CCN[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1ccccc1
Cn1c(SCCOc2ccccc2)nc2sc3c(c2c1=O)CCCC3 c1ccc(cc1)O[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)SCC[*:1]
Cn1c(SCCOc2ccccc2)nc2sc3c(c2c1=O)CCCC3 c1ccc(cc1)OC[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)SC[*:1]
Cn1c(SCCOc2ccccc2)nc2sc3c(c2c1=O)CCCC3 c1ccc(cc1)[*:1] Cn1c(nc2sc3CCCCc3c2c1=O)SCCO[*:1]
COc1ccc(C)cc1-n1nnnc1SCc1cc(Cl)c2c(c1)OCCO2 COc1ccc(C)cc1[*:1] Clc1cc(cc2OCCOc12)CSc1nnnn1[*:1]
CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc12 CCOC(=O)[*:1] CCc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(C)c(c2c1)[*:1]
CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc12 CCc1ccc(cc1)[*:1] CCOC(=O)c1c(C)oc2ccc(cc12)NS(=O)(=O)[*:1]
Nc1cc(C2CC2)[nH+]c([C@@H]2C[NH+]3CCN2CC3)n1 C1CC1[*:1] Nc1cc([nH+]c(n1)[C@@H]1C[NH+]2CCN1CC2)[*:1]
CN(Cc1nc2c(s1)CCCC2)Cn1ncc2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] CN(Cc1nc2CCCCc2s1)Cn1ncc2cc(ccc21)[*:1]
COc1ccc(-c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc1 COc1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
C#CCN1CCC(C(=O)N[C@H](CC(=O)OC)c2cccc(Cl)c2)CC1 C#CC[*:1] COC(=O)C[C@@H](NC(=O)C1CCN(CC1)[*:1])c1cccc(Cl)c1
C#CCN1CCC(C(=O)N[C@H](CC(=O)OC)c2cccc(Cl)c2)CC1 COC(=O)C[*:1] C#CCN1CCC(CC1)C(=O)N[C@H](c1cccc(Cl)c1)[*:1]
C#CCN1CCC(C(=O)N[C@H](CC(=O)OC)c2cccc(Cl)c2)CC1 COC(=O)[*:1] C#CCN1CCC(CC1)C(=O)N[C@H](C[*:1])c1cccc(Cl)c1
C#CCN1CCC(C(=O)N[C@H](CC(=O)OC)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] C#CCN1CCC(CC1)C(=O)N[C@H](CC(=O)OC)[*:1]
COc1cccc(CC(=O)N2CCN(Cc3sccc3C)CC2)c1 Cc1ccsc1[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)C[*:1]
COc1cccc(CC(=O)N2CCN(Cc3sccc3C)CC2)c1 Cc1ccsc1C[*:1] COc1cccc(c1)CC(=O)N1CCN(CC1)[*:1]
COc1cccc(CC(=O)N2CCN(Cc3sccc3C)CC2)c1 COc1cccc(c1)[*:1] Cc1ccsc1CN1CCN(CC1)C(=O)C[*:1]
O=C(C#Cc1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 C(#C[*:1])c1ccccc1 O=C(N1CCC(CC1)[C@H](O)c1ccccc1)[*:1]
O=C(C#Cc1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 O[C@H](c1ccccc1)[*:1] O=C(C#Cc1ccccc1)N1CCC(CC1)[*:1]
O=C(C#Cc1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C#C[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
O=C(C#Cc1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(C#Cc1ccccc1)N1CCC(CC1)[C@H](O)[*:1]
C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1ccco1 Fc1ccc(cc1)[*:1] C[C@@H]([NH2+]Cc1ccn(n1)[*:1])c1ccco1
C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1ccco1 c1coc(c1)[*:1] C[C@@H]([NH2+]Cc1ccn(n1)-c1ccc(F)cc1)[*:1]
CC(C)S(=O)(=O)CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1 Cn1ccnc1C(=O)[*:1] CC(C)S(=O)(=O)CC(=O)Nc1ccc(cc1)[*:1]
CC(C)S(=O)(=O)CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1 CC(C)S(=O)(=O)[*:1] Cn1ccnc1C(=O)c1ccc(cc1)NC(=O)C[*:1]
CC(C)S(=O)(=O)CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1 CC(C)S(=O)(=O)C[*:1] Cn1ccnc1C(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)S(=O)(=O)CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1 CC(C)[*:1] Cn1ccnc1C(=O)c1ccc(cc1)NC(=O)CS(=O)(=O)[*:1]
CC(C)S(=O)(=O)CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1 Cn1ccnc1[*:1] CC(C)S(=O)(=O)CC(=O)Nc1ccc(cc1)C(=O)[*:1]
Cc1ccc(-c2cc(C(=O)NCc3nc4ccccc4n3C)on2)cc1 Cc1ccc(cc1)[*:1] Cn1c(CNC(=O)c2cc(no2)[*:1])nc2ccccc21
O=C([O-])CC1CCN(C(=O)N(CC2CC2)C2CC2)CC1 O=C([O-])C[*:1] O=C(N1CCC(CC1)[*:1])N(CC1CC1)C1CC1
O=C([O-])CC1CCN(C(=O)N(CC2CC2)C2CC2)CC1 C1CC1[*:1] O=C([O-])CC1CCN(CC1)C(=O)N(C[*:1])C1CC1
O=C([O-])CC1CCN(C(=O)N(CC2CC2)C2CC2)CC1 C1CC1[*:1] O=C([O-])CC1CCN(CC1)C(=O)N(CC1CC1)[*:1]
O=C([O-])CC1CCN(C(=O)N(CC2CC2)C2CC2)CC1 C1CC1C[*:1] O=C([O-])CC1CCN(CC1)C(=O)N(C1CC1)[*:1]
O=C([O-])CC1CCN(C(=O)N(CC2CC2)C2CC2)CC1 O=C([O-])[*:1] O=C(N1CCC(CC1)C[*:1])N(CC1CC1)C1CC1
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3ccsc3)CC2)cc1 CC(C)(C)[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC(CC1)c1ccsc1
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3ccsc3)CC2)cc1 c1cc(cs1)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
COc1ccc(CCC(C)(C)CC(=O)[O-])c(OC)c1 O=C([O-])[*:1] COc1ccc(CCC(C)(C)C[*:1])c(c1)OC
C=CC(=O)NCCNC(=O)C(C)(C)c1ccc(F)cc1 C=CC(=O)NC[*:1] CC(C)(C(=O)NC[*:1])c1ccc(F)cc1
C=CC(=O)NCCNC(=O)C(C)(C)c1ccc(F)cc1 C=CC(=O)N[*:1] CC(C)(C(=O)NCC[*:1])c1ccc(F)cc1
COc1ccc(C)cc1CS(=O)(=O)Cc1cc(C)on1 Cc1cc(no1)[*:1] COc1ccc(C)cc1CS(=O)(=O)C[*:1]
Cc1ccoc1[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 Cc1ccoc1[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1cc2OCCOc2cc1Br
Cc1cc2oc(=O)cc(CN[C@H](C(N)=O)[C@@H](C)O)c2cc1C C[C@@H](O)[*:1] Cc1cc2oc(=O)cc(CN[C@H](C(N)=O)[*:1])c2cc1C
Cc1cc2oc(=O)cc(CN[C@H](C(N)=O)[C@@H](C)O)c2cc1C NC(=O)[*:1] Cc1cc2oc(=O)cc(CN[C@H]([C@@H](C)O)[*:1])c2cc1C
CCCCNC(=O)c1cccn1-c1nnc(N2CCCCC2)s1 CCC[*:1] O=C(NC[*:1])c1cccn1-c1nnc(s1)N1CCCCC1
CCCCNC(=O)c1cccn1-c1nnc(N2CCCCC2)s1 CCCCNC(=O)[*:1] c1cc(n(c1)-c1nnc(s1)N1CCCCC1)[*:1]
CCCCNC(=O)c1cccn1-c1nnc(N2CCCCC2)s1 CCCC[*:1] O=C(N[*:1])c1cccn1-c1nnc(s1)N1CCCCC1
CCCCNC(=O)c1cccn1-c1nnc(N2CCCCC2)s1 C1CCN(CC1)[*:1] CCCCNC(=O)c1cccn1-c1nnc(s1)[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCN([C@@H]2CCOC2=O)CC1 O=C1OCC[C@H]1[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)[*:1]
C[C@@H]1C[C@H]1C(=O)N1CCN([C@@H]2CCOC2=O)CC1 C[C@@H]1C[C@@H]1[*:1] O=C1OCC[C@H]1N1CCN(CC1)C(=O)[*:1]
O=C([O-])[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1c1ccc2c(c1)OCO2 O=C([O-])[*:1] O=C(CN1CCOCC1)N1C[C@H]([C@@H](C1)c1ccc2OCOc2c1)[*:1]
O=C([O-])[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1c1ccc2c(c1)OCO2 C1CN(CCO1)C[*:1] O=C([O-])[C@@H]1CN(C[C@H]1c1ccc2OCOc2c1)C(=O)[*:1]
O=C([O-])[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1c1ccc2c(c1)OCO2 C1CN(CCO1)[*:1] O=C([O-])[C@@H]1CN(C[C@H]1c1ccc2OCOc2c1)C(=O)C[*:1]
CCc1csc([C@@H]2CCCN(C(=O)[C@@H](C)c3c(C)noc3C)C2)n1 Cc1noc(C)c1[*:1] CCc1csc(n1)[C@@H]1CCCN(C1)C(=O)[C@@H](C)[*:1]
CCc1csc([C@@H]2CCCN(C(=O)[C@@H](C)c3c(C)noc3C)C2)n1 CCc1csc(n1)[*:1] Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H](C1)[*:1]
Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2O)ccc1N(C)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1N(C)S(=O)(=O)[*:1])C(=O)N(C)[C@H]1CCCC[C@@H]1O
C[C@@H](OC(=O)C1=NN(C)C(=O)CC1)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](OC(=O)C1CCC(=O)N(C)N=1)C(=O)N[*:1]
C[C@](N)(C(=O)NCCC(F)(F)F)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(C(=O)NCCC(F)(F)F)[*:1]
C[C@](N)(C(=O)NCCC(F)(F)F)C(F)(F)F FC(F)(F)C[*:1] C[C@](N)(C(=O)NC[*:1])C(F)(F)F
C[C@](N)(C(=O)NCCC(F)(F)F)C(F)(F)F FC(F)(F)[*:1] C[C@](N)(C(=O)NCC[*:1])C(F)(F)F
CC(C)n1cnnc1[S@](=O)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 CC(C)[*:1] C[C@H](NC(=O)C[S@@](=O)c1nncn1[*:1])c1ccc2ccccc2c1
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)c1cccc(c1)NS(=O)(=O)[*:1]
NC(=O)C1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)CC1 FC(F)(F)[*:1] NC(=O)C1CCN(CC1)C(=O)c1cnn(-c2cccc(c2)[*:1])c1-n1cccc1
NC(=O)C1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)CC1 NC(=O)[*:1] O=C(c1cnn(-c2cccc(c2)C(F)(F)F)c1-n1cccc1)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)CC1 c1ccn(c1)[*:1] NC(=O)C1CCN(CC1)C(=O)c1cnn(-c2cccc(c2)C(F)(F)F)c1[*:1]
NC(=O)C1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)CC1 FC(F)(F)c1cccc(c1)[*:1] NC(=O)C1CCN(CC1)C(=O)c1cnn(c1-n1cccc1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N(C1CC1)[C@H](C)C1CC1 C1CC1[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N([C@H](C)C1CC1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N(C1CC1)[C@H](C)C1CC1 C[C@H](C1CC1)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N(C1CC1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N(C1CC1)[C@H](C)C1CC1 C1CC1[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N(C1CC1)[C@H](C)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N(C1CC1)[C@H](C)C1CC1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)[*:1]
CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)CC1 CC1CCN(CC1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1nc(c2ccccc2n1)[*:1]
CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)CC1 O=[N+]([O-])[*:1] CC1CCN(CC1)c1nc(nc2ccccc12)-c1ccc(cc1)[*:1]
COC(=O)[C@@H](CNC(=O)Nc1cc(C)nn1C)Cc1ccc(F)cc1 Cc1cc(n(C)n1)[*:1] COC(=O)[C@@H](CNC(=O)N[*:1])Cc1ccc(F)cc1
COC(=O)[C@@H](CNC(=O)Nc1cc(C)nn1C)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COC(=O)[C@@H](CNC(=O)Nc1cc(C)nn1C)[*:1]
COC(=O)[C@@H](CNC(=O)Nc1cc(C)nn1C)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H](CNC(=O)Nc1cc(C)nn1C)C[*:1]
COC(=O)[C@@H](CNC(=O)Nc1cc(C)nn1C)Cc1ccc(F)cc1 COC(=O)[*:1] Cc1cc(NC(=O)NC[C@@H](Cc2ccc(F)cc2)[*:1])n(C)n1
O=C(NC[C@H]1CCC[C@H]1O)c1ccccc1SCc1cccs1 c1csc(c1)CS[*:1] O=C(NC[C@H]1CCC[C@H]1O)c1ccccc1[*:1]
O=C(NC[C@H]1CCC[C@H]1O)c1ccccc1SCc1cccs1 c1csc(c1)[*:1] O=C(NC[C@H]1CCC[C@H]1O)c1ccccc1SC[*:1]
O=C(NC[C@H]1CCC[C@H]1O)c1ccccc1SCc1cccs1 c1csc(c1)C[*:1] O=C(NC[C@H]1CCC[C@H]1O)c1ccccc1S[*:1]
Cc1nn(C)c(C)c1[C@@H](C(=O)[O-])[NH+]1CCN(c2ccccc2F)CC1 Cc1nn(C)c(C)c1[*:1] O=C([O-])[C@@H]([NH+]1CCN(CC1)c1ccccc1F)[*:1]
Cc1nn(C)c(C)c1[C@@H](C(=O)[O-])[NH+]1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1nn(C)c(C)c1[C@@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
C[C@H](C/C(N)=N/O)NC(=O)N(C)C N/C(=N\O)[*:1] C[C@H](C[*:1])NC(=O)N(C)C
CC(C)c1cc(C(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)no1 OCc1cccc(c1)[*:1] CC(C)c1cc(no1)C(=O)N1CC[C@H](C1)C[*:1]
CC(C)c1cc(C(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)no1 CC(C)[*:1] O=C(c1cc(on1)[*:1])N1CC[C@@H](Cc2cccc(c2)CO)C1
CC(C)c1cc(C(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)no1 CC(C)c1cc(no1)[*:1] O=C(N1CC[C@@H](Cc2cccc(c2)CO)C1)[*:1]
CC(Nc1cccc(C(C)C)c1)=C1C(=O)NC(=S)NC1=O CC(C)[*:1] CC(Nc1cccc(c1)[*:1])=C1C(=O)NC(=S)NC1=O
Cc1ccc2cc(CN(CCN3CCOCC3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1C C1CN(CCO1)[*:1] Cc1ccc2cc(CN(CC[*:1])C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1C
Cc1ccc2cc(CN(CCN3CCOCC3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1C C1CN(CCO1)CC[*:1] Cc1ccc2cc(CN(C(=O)Nc3cccc(Cl)c3)[*:1])c(=O)[nH]c2c1C
Cc1ccc2cc(CN(CCN3CCOCC3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1C Clc1cccc(c1)[*:1] Cc1ccc2cc(CN(CCN3CCOCC3)C(=O)N[*:1])c(=O)[nH]c2c1C
Cc1ccc2cc(CN(CCN3CCOCC3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1C C1CN(CCO1)C[*:1] Cc1ccc2cc(CN(C[*:1])C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1C
CC(C)(C)O[C@H]1CC[C@@]([NH3+])(C(N)=O)C1 CC(C)(C)[*:1] NC(=O)[C@]1([NH3+])CC[C@@H](C1)O[*:1]
CC(C)(C)O[C@H]1CC[C@@]([NH3+])(C(N)=O)C1 NC(=O)[*:1] CC(C)(C)O[C@H]1CC[C@@]([NH3+])(C1)[*:1]
Cc1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)Nc3cc(C)nn3C)C2)n(C)n1 Cc1cc(n(C)n1)[*:1] Cc1cc(NC(=O)[C@@H]2CCC[C@@H](C2)C(=O)N[*:1])n(C)n1
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-n1cccc1 COc1ccc(C)cc1[*:1] O=C(CSc1nnc(-c2ccccc2Cl)n1-n1cccc1)N[*:1]
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-n1cccc1 Clc1ccccc1[*:1] COc1ccc(C)cc1NC(=O)CSc1nnc(n1-n1cccc1)[*:1]
Cc1cc(N2CCC([NH+](C)Cc3ccc(C)c([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 Cc1cc(nc(C)[nH+]1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C[NH+](C)C1CCN(CC1)[*:1]
Cc1cc(N2CCC([NH+](C)Cc3ccc(C)c([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 O=[N+]([O-])[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)Cc1ccc(C)c(c1)[*:1]
COc1ccccc1OCc1ccc(C(=O)N2CCOC(C)(C)C2)o1 COc1ccccc1[*:1] CC1(C)CN(CCO1)C(=O)c1ccc(CO[*:1])o1
COC(=O)c1c(NC(=O)c2oc3ccc(OC)cc3c2C)sc(C)c1C COC(=O)[*:1] COc1ccc2oc(C(=O)Nc3sc(C)c(C)c3[*:1])c(C)c2c1
CCOC(=O)[C@H](CC)Sc1nnc(-c2ccccc2)s1 CCOC(=O)[*:1] CC[C@H](Sc1nnc(s1)-c1ccccc1)[*:1]
CCOC(=O)[C@H](CC)Sc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] CCOC(=O)[C@H](CC)Sc1nnc(s1)[*:1]
C[C@@H]1C[C@H]([NH3+])CN(CC(=O)Nc2cc(C(C)(C)C)no2)C1 CC(C)(C)[*:1] C[C@@H]1C[C@H]([NH3+])CN(CC(=O)Nc2cc(no2)[*:1])C1
CC[C@@H](COC)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C COC[*:1] CC[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)[*:1]
CC[C@@H](COC)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C CC[C@@H](COC)[*:1] C[C@H]1[C@H](CCN1C(=O)N[*:1])C(=O)[O-]
CC[C@@H](COC)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] CC[C@@H](COC)NC(=O)N1CC[C@H]([C@@H]1C)[*:1]
Cc1c(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)[nH]c2c1C(=O)CC(C)(C)C2 Cn1ccnc1[*:1] Cc1c([nH]c2CC(C)(C)CC(=O)c21)C(=O)N[C@@H](c1ccccc1F)[*:1]
Cc1c(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)[nH]c2c1C(=O)CC(C)(C)C2 Fc1ccccc1[*:1] Cc1c([nH]c2CC(C)(C)CC(=O)c21)C(=O)N[C@@H](c1nccn1C)[*:1]
Cc1nc(-c2ccc(NC(=O)CCC(F)(F)F)cc2)cs1 FC(F)(F)C[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)C[*:1]
Cc1nc(-c2ccc(NC(=O)CCC(F)(F)F)cc2)cs1 Cc1nc(cs1)[*:1] O=C(CCC(F)(F)F)Nc1ccc(cc1)[*:1]
Cc1nc(-c2ccc(NC(=O)CCC(F)(F)F)cc2)cs1 FC(F)(F)CC[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)[*:1]
Cc1nc(-c2ccc(NC(=O)CCC(F)(F)F)cc2)cs1 FC(F)(F)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)CC[*:1]
O=C(Nc1cccc2[nH]ccc12)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1cccc2[nH]ccc12)[*:1]
COc1ccc(OC)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c1 O=[N+]([O-])[*:1] COc1ccc(OC)c(c1)-c1csc(n1)NC(=O)c1ccc(cc1Cl)[*:1]
CCO[C@H]1C[C@H](NC(=O)NCC(=O)NC2CCCCC2)C12CCC2 CCO[*:1] O=C(CNC(=O)N[C@H]1C[C@@H](C12CCC2)[*:1])NC1CCCCC1
CCO[C@H]1C[C@H](NC(=O)NCC(=O)NC2CCCCC2)C12CCC2 C1CCC(CC1)[*:1] CCO[C@H]1C[C@H](NC(=O)NCC(=O)N[*:1])C12CCC2
Cc1ccc(O)cc1N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 Cc1ccc(O)cc1[*:1] O=C1/C(=C/N[*:1])c2ccccc2C(=O)N1c1ccccc1Cl
Cc1ccc(O)cc1N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 Clc1ccccc1[*:1] Cc1ccc(O)cc1N/C=C1/C(=O)N(C(=O)c2ccccc21)[*:1]
Cc1ccc(O)cc1N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 Cc1ccc(O)cc1N[*:1] O=C1C(=C[*:1])c2ccccc2C(=O)N1c1ccccc1Cl
O=C(NCc1ccc(F)cc1)C1CCN(c2nc(-c3ccccc3)no2)CC1 c1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)C1CCN(CC1)c1nc(no1)[*:1]
O=C(NCc1ccc(F)cc1)C1CCN(c2nc(-c3ccccc3)no2)CC1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)c1nc(no1)-c1ccccc1
O=C(NCc1ccc(F)cc1)C1CCN(c2nc(-c3ccccc3)no2)CC1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)c1nc(no1)-c1ccccc1
CCN(CC(=O)Nc1ccc2c(C)n[nH]c2c1)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC(=O)Nc1ccc2c(C)n[nH]c2c1)[*:1]
CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C Cc1ccc(cc1)[*:1] CCN(CCS(=O)(=O)[*:1])C(=O)C[C@H]1C(=O)N(C)C(=O)N1C
CN(NC(=O)NN)c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] CN(NC(=O)NN)c1ncc(cc1Cl)[*:1]
C=CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)CCCC1=N2 Clc1ccc(cc1)[*:1] C=CCSc1nc2N=C3CCCC(=O)[C@H]3[C@H](n2n1)[*:1]
C=CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)CCCC1=N2 C=CC[*:1] O=C1CCCC2=Nc3nc(nn3[C@@H](c3ccc(Cl)cc3)[C@H]12)S[*:1]
C=CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)CCCC1=N2 C=CCS[*:1] O=C1CCCC2=Nc3nc(nn3[C@@H](c3ccc(Cl)cc3)[C@H]12)[*:1]
CN(C)C(=O)[C@@H]1[C@@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1ccccc12 Fc1ccc(cc1)[*:1] CN(C)C(=O)[C@@H]1[C@@H]2NC(=S)N([C@@]1(C)Oc1ccccc12)[*:1]
CN(C)C(=O)[C@@H]1[C@@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1ccccc12 CN(C)C(=O)[*:1] C[C@@]12Oc3ccccc3[C@@H](NC(=S)N1c1ccc(F)cc1)[C@H]2[*:1]
O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N1CC[NH+](CC1)[*:1]
O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N1CC[NH+](C2CCCC2)CC1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCO[C@H]1[*:1])N1CC[NH+](CC1)C1CCCC1
C[C@]1(c2ccsc2)NC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O c1cc(cs1)[*:1] C[C@@]1(NC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O)[*:1]
C[C@]1(c2ccsc2)NC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O C1CO[C@@H](C1)C[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccsc1
C[C@]1(c2ccsc2)NC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O C1CO[C@@H](C1)[*:1] C[C@@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1ccsc1
CCc1ccc(CN2CCN(C(=O)CCCn3ccnn3)CC2)s1 CCc1ccc(s1)[*:1] O=C(CCCn1ccnn1)N1CCN(CC1)C[*:1]
CCc1ccc(CN2CCN(C(=O)CCCn3ccnn3)CC2)s1 c1cn(CC[*:1])nn1 CCc1ccc(CN2CCN(CC2)C(=O)C[*:1])s1
CCc1ccc(CN2CCN(C(=O)CCCn3ccnn3)CC2)s1 CCc1ccc(C[*:1])s1 O=C(CCCn1ccnn1)N1CCN(CC1)[*:1]
CCc1ccc(CN2CCN(C(=O)CCCn3ccnn3)CC2)s1 c1cn(CCC[*:1])nn1 CCc1ccc(CN2CCN(CC2)C(=O)[*:1])s1
CCc1ccc(CN2CCN(C(=O)CCCn3ccnn3)CC2)s1 c1cn(nn1)[*:1] CCc1ccc(CN2CCN(CC2)C(=O)CCC[*:1])s1
CCc1ccc(CN2CCN(C(=O)CCCn3ccnn3)CC2)s1 c1cn(C[*:1])nn1 CCc1ccc(CN2CCN(CC2)C(=O)CC[*:1])s1
CCO[C@@H](C)c1noc(CNC(=O)N(C)[C@@H](C)C2CC2)n1 C1CC1[*:1] CCO[C@@H](C)c1noc(CNC(=O)N(C)[C@@H](C)[*:1])n1
CCO[C@@H](C)c1noc(CNC(=O)N(C)[C@@H](C)C2CC2)n1 CCO[C@@H](C)[*:1] C[C@@H](C1CC1)N(C)C(=O)NCc1nc(no1)[*:1]
CCO[C@@H](C)c1noc(CNC(=O)N(C)[C@@H](C)C2CC2)n1 C[C@@H](C1CC1)[*:1] CCO[C@@H](C)c1noc(CNC(=O)N(C)[*:1])n1
CCO[C@@H](C)c1noc(CNC(=O)N(C)[C@@H](C)C2CC2)n1 CCO[*:1] C[C@@H](C1CC1)N(C)C(=O)NCc1nc(no1)[C@H](C)[*:1]
CCC[C@@H]1c2cccn2CCN1C(=O)Nc1ccc(C)cc1C CCC[*:1] Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2[*:1])c(C)c1
COc1ccc(-c2n[nH]c(/N=C(\[O-])Cn3ccc4ccccc43)n2)cc1 COc1ccc(cc1)[*:1] [O-]/C(Cn1ccc2ccccc21)=N\c1nc(n[nH]1)[*:1]
CCCn1c(C)cc(C(=O)CSc2nc3ccccc3n2C)c1C CCC[*:1] Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1[*:1]
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)N1CCCCC1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCCCC1)[*:1])[C@H]1CC(=O)N(C1)c1ccc2OCOc2c1
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)N1CCCCC1 c1cc2OCOc2cc1[*:1] CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])C(=O)N1CCCCC1
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(C1)c1ccc2OCOc2c1)[*:1]
COC(=O)c1ccc(C(=O)NCC(C)(C)C(N)=O)cc1 CC(C)(C(N)=O)[*:1] COC(=O)c1ccc(cc1)C(=O)NC[*:1]
COC(=O)c1ccc(C(=O)NCC(C)(C)C(N)=O)cc1 COC(=O)[*:1] CC(C)(CNC(=O)c1ccc(cc1)[*:1])C(N)=O
COC(=O)c1ccc(C(=O)NCC(C)(C)C(N)=O)cc1 NC(=O)[*:1] COC(=O)c1ccc(cc1)C(=O)NCC(C)(C)[*:1]
CN(C(=O)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1)[*:1]
CN(C(=O)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1)C1CCCCC1 Clc1cc(Cl)cc(c1)[*:1] CN(C(=O)c1ccccc1NC(=O)[*:1])C1CCCCC1
O=C(CCc1ccco1)N(CCO)Cc1ccccc1 c1coc(c1)[*:1] O=C(CC[*:1])N(CCO)Cc1ccccc1
O=C(CCc1ccco1)N(CCO)Cc1ccccc1 c1coc(c1)C[*:1] O=C(C[*:1])N(CCO)Cc1ccccc1
O=C(CCc1ccco1)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1ccco1)N(CCO)C[*:1]
O=C(CCc1ccco1)N(CCO)Cc1ccccc1 OCC[*:1] O=C(CCc1ccco1)N(Cc1ccccc1)[*:1]
O=C(Cn1cc(C(F)(F)F)ccc1=O)NN1Cc2ccccc2C1 FC(F)(F)[*:1] O=C(Cn1cc(ccc1=O)[*:1])NN1Cc2ccccc2C1
Cc1n[nH]cc1C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C CC(C)(C)[*:1] Cc1n[nH]cc1C[NH2+][C@@H](c1cccc(c1)C(F)(F)F)[*:1]
Cc1n[nH]cc1C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C FC(F)(F)[*:1] Cc1n[nH]cc1C[NH2+][C@@H](c1cccc(c1)[*:1])C(C)(C)C
Fc1ccc(OCCCSc2nnc(-c3ccco3)o2)cc1 Fc1ccc(cc1)[*:1] c1coc(c1)-c1nnc(o1)SCCCO[*:1]
Fc1ccc(OCCCSc2nnc(-c3ccco3)o2)cc1 c1coc(c1)[*:1] Fc1ccc(cc1)OCCCSc1nnc(o1)[*:1]
C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccoc3)CC2)C[C@@H](C)O1 c1cc(co1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)C1CCN(CC1)C(=O)[*:1]
COc1cccc2cc(-c3nnc(NC(=O)c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)o3)oc12 COc1cccc2cc(oc12)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
COc1cccc2cc(-c3nnc(NC(=O)c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)o3)oc12 CC1CCN(CC1)S(=O)(=O)[*:1] COc1cccc2cc(oc12)-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
C[C@H]1CC[C@H]([C@H](O)[C@@H]2CCO[C@]3(CCOC3)C2)C1 C[C@H]1CC[C@H](C1)[*:1] O[C@H]([C@@H]1CCO[C@]2(CCOC2)C1)[*:1]
CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(-n2cccn2)nc1 c1cnn(c1)[*:1] CSc1nc(nc(C)c1C(=O)Nc1ccc(nc1)[*:1])-c1ccco1
CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(-n2cccn2)nc1 c1coc(c1)[*:1] CSc1nc(nc(C)c1C(=O)Nc1ccc(nc1)-n1cccn1)[*:1]
O=C(OCC1=NC(=O)[C@H]2Oc3ccccc3C2=N1)c1cnccn1 c1cnc(cn1)[*:1] O=C1N=C(COC(=O)[*:1])N=C2c3ccccc3O[C@H]12
Cc1ccc([C@H](CNC(=O)Nc2ccccc2C(C)C)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@H](CNC(=O)Nc1ccccc1C(C)C)[*:1]
Cc1ccc([C@H](CNC(=O)Nc2ccccc2C(C)C)N2CCOCC2)o1 CC(C)[*:1] Cc1ccc(o1)[C@H](CNC(=O)Nc1ccccc1[*:1])N1CCOCC1
Cc1ccc([C@H](CNC(=O)Nc2ccccc2C(C)C)N2CCOCC2)o1 Cc1ccc(o1)[*:1] CC(C)c1ccccc1NC(=O)NC[C@H](N1CCOCC1)[*:1]
Cc1ccc([C@H](CNC(=O)Nc2ccccc2C(C)C)N2CCOCC2)o1 CC(C)c1ccccc1[*:1] Cc1ccc(o1)[C@H](CNC(=O)N[*:1])N1CCOCC1
CCN(C(=O)Nc1ccc(CC(=O)N(C)C)cc1)[C@@H](C)c1cc2ccccc2o1 CN(C)C(=O)C[*:1] CCN(C(=O)Nc1ccc(cc1)[*:1])[C@@H](C)c1cc2ccccc2o1
CCN(C(=O)Nc1ccc(CC(=O)N(C)C)cc1)[C@@H](C)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] CCN(C(=O)Nc1ccc(cc1)CC(=O)N(C)C)[C@@H](C)[*:1]
CCN(C(=O)Nc1ccc(CC(=O)N(C)C)cc1)[C@@H](C)c1cc2ccccc2o1 CN(C)C(=O)[*:1] CCN(C(=O)Nc1ccc(cc1)C[*:1])[C@@H](C)c1cc2ccccc2o1
CC(C)=CC(=O)N1CCN2NC([C@@H]3[NH+]=c4ccc(Cl)cc4=[NH+]3)=C[C@@H]2C1 CC(C)=C[*:1] O=C(N1CCN2NC(=C[C@@H]2C1)[C@@H]1[NH+]=c2ccc(Cl)cc2=[NH+]1)[*:1]
CSc1ncccc1C(=O)Nc1c(C)cccc1C(C)C CC(C)[*:1] CSc1ncccc1C(=O)Nc1c(C)cccc1[*:1]
C[C@@H](O)c1cc[nH+]c(N(C)C2CCC(C)(C)CC2)c1 C[C@@H](O)[*:1] CN(c1cc(cc[nH+]1)[*:1])C1CCC(C)(C)CC1
COc1ccc(Cl)cc1-c1n[nH]c(SCCCCO)n1 OCC[*:1] COc1ccc(Cl)cc1-c1n[nH]c(n1)SCC[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(SCCCCO)n1 OCCCC[*:1] COc1ccc(Cl)cc1-c1n[nH]c(n1)S[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(SCCCCO)n1 OCCCCS[*:1] COc1ccc(Cl)cc1-c1n[nH]c(n1)[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(SCCCCO)n1 OCCC[*:1] COc1ccc(Cl)cc1-c1n[nH]c(n1)SC[*:1]
CCc1cc(=O)[nH]c2cc(NC(=O)CSc3ccc(F)cc3)ccc12 Fc1ccc(cc1)[*:1] CCc1cc(=O)[nH]c2cc(ccc12)NC(=O)CS[*:1]
CCc1cc(=O)[nH]c2cc(NC(=O)CSc3ccc(F)cc3)ccc12 Fc1ccc(cc1)S[*:1] CCc1cc(=O)[nH]c2cc(ccc12)NC(=O)C[*:1]
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nnnn21
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nnnn21
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)ccc1OCc1ccc(C)cc1 Cc1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])[C@H]1C2C(=O)CC(C)(C)CC=2Nc2nnnn21
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCCN1C(=O)c1cccs1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN1C(=O)c1cccs1
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCCN1C(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCCC1)[C@H]1CCCN1C(=O)[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnc(-n2cncn2)c1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1O)[*:1])c1ccnc(c1)-n1cncn1
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnc(-n2cncn2)c1 c1ncn(n1)[*:1] O=C(Nc1cc(ccc1O)[N+](=O)[O-])c1ccnc(c1)[*:1]
Cc1csc(NC(=O)Cc2ccc(F)c(F)c2)n1 Cc1csc(n1)[*:1] O=C(Cc1ccc(F)c(F)c1)N[*:1]
CCCOc1ncnc(NCCc2ncn[nH]2)c1N c1n[nH]c(C[*:1])n1 CCCOc1ncnc(NC[*:1])c1N
CCCOc1ncnc(NCCc2ncn[nH]2)c1N CCC[*:1] Nc1c(ncnc1O[*:1])NCCc1ncn[nH]1
CCCOc1ncnc(NCCc2ncn[nH]2)c1N CCCO[*:1] Nc1c(ncnc1[*:1])NCCc1ncn[nH]1
CCCOc1ncnc(NCCc2ncn[nH]2)c1N c1n[nH]c(n1)[*:1] CCCOc1ncnc(NCC[*:1])c1N
O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1[*:1]
O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@@H](CN1[*:1])c1nc2ccccc2n1Cc1ccccc1
O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1C[*:1]
C=CCN(Cc1ccccc1C)C(=O)[C@@H]([NH3+])Cc1ccccc1 Cc1ccccc1[*:1] C=CCN(C[*:1])C(=O)[C@@H]([NH3+])Cc1ccccc1
C=CCN(Cc1ccccc1C)C(=O)[C@@H]([NH3+])Cc1ccccc1 C=CC[*:1] Cc1ccccc1CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[*:1]
C=CCN(Cc1ccccc1C)C(=O)[C@@H]([NH3+])Cc1ccccc1 c1ccc(cc1)C[*:1] C=CCN(Cc1ccccc1C)C(=O)[C@@H]([NH3+])[*:1]
C=CCN(Cc1ccccc1C)C(=O)[C@@H]([NH3+])Cc1ccccc1 c1ccc(cc1)[*:1] C=CCN(Cc1ccccc1C)C(=O)[C@@H]([NH3+])C[*:1]
Cc1cnc(C(=O)Nc2ccc(Sc3nccn3C)cc2)cn1 Cc1cnc(cn1)[*:1] Cn1ccnc1Sc1ccc(cc1)NC(=O)[*:1]
Cc1cnc(C(=O)Nc2ccc(Sc3nccn3C)cc2)cn1 Cn1ccnc1S[*:1] Cc1cnc(cn1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cnc(C(=O)Nc2ccc(Sc3nccn3C)cc2)cn1 Cn1ccnc1[*:1] Cc1cnc(cn1)C(=O)Nc1ccc(cc1)S[*:1]
C[C@H](NC(=O)C1(C#N)CCCC1)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)C1(C#N)CCCC1)[*:1]
CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1F Fc1ccccc1[*:1] CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)c1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)c1ccccc1[*:1]
Cc1csc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2OC(C)C)n1 CC(C)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)Nc1cc(C#N)ccc1O[*:1]
Cc1csc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2OC(C)C)n1 CC(C)O[*:1] Cc1csc(n1)[C@@H](C)NC(=O)Nc1cc(C#N)ccc1[*:1]
Cc1csc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2OC(C)C)n1 Cc1csc(n1)[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)[*:1]
CCOC(=O)C(C(=O)OCC)[C@@]1(O)CS[C@H](C)C1 CCOC(=O)[*:1] CCOC(=O)C([C@@]1(O)CS[C@H](C)C1)[*:1]
Clc1ccccc1C[C@H](NCc1nnnn1C1CC1)c1ccccc1 C1CC1[*:1] Clc1ccccc1C[C@H](NCc1nnnn1[*:1])c1ccccc1
Clc1ccccc1C[C@H](NCc1nnnn1C1CC1)c1ccccc1 Clc1ccccc1[*:1] c1ccc(cc1)[C@H](C[*:1])NCc1nnnn1C1CC1
Clc1ccccc1C[C@H](NCc1nnnn1C1CC1)c1ccccc1 c1ccc(cc1)[*:1] Clc1ccccc1C[C@H](NCc1nnnn1C1CC1)[*:1]
Clc1ccccc1C[C@H](NCc1nnnn1C1CC1)c1ccccc1 Clc1ccccc1C[*:1] c1ccc(cc1)[C@@H](NCc1nnnn1C1CC1)[*:1]
Clc1ccccc1C[C@H](NCc1nnnn1C1CC1)c1ccccc1 C1CC1n1nnnc1[*:1] Clc1ccccc1C[C@H](NC[*:1])c1ccccc1
COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(Cl)c2)cc(OC)c1OC Clc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1[*:1]
CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC[NH+](CC)CC)cc1 CCc1ccc(cc1)[*:1] CC[NH+](CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1[*:1]
CC(C)(C(=O)NC1CC[NH+](CC(N)=O)CC1)c1cccc(C#N)c1 NC(=O)[*:1] CC(C)(C(=O)NC1CC[NH+](CC1)C[*:1])c1cccc(C#N)c1
CC(C)(C(=O)NC1CC[NH+](CC(N)=O)CC1)c1cccc(C#N)c1 NC(=O)C[*:1] CC(C)(C(=O)NC1CC[NH+](CC1)[*:1])c1cccc(C#N)c1
CC(C)(C(=O)NC1CC[NH+](CC(N)=O)CC1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)(C(=O)NC1CC[NH+](CC1)CC(N)=O)[*:1]
COC(=O)c1cc(N)c2ncccc2c1 COC(=O)[*:1] Nc1cc(cc2cccnc12)[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2cnn(C(C)(C)C)c2)C1 CC(C)(C)[*:1] CC(C)(C)n1cc(cn1)NC(=O)[C@@H]1CCN(C1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2cnn(C(C)(C)C)c2)C1 CC(C)(C)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)C(=O)Nc1cnn(c1)[*:1]
Cc1cc(Nc2ccc(C(=O)[O-])cc2)nc(-n2nc(C)cc2C)n1 Cc1cc(C)n(n1)[*:1] Cc1cc(nc(n1)[*:1])Nc1ccc(cc1)C(=O)[O-]
Cc1cc(Nc2ccc(C(=O)[O-])cc2)nc(-n2nc(C)cc2C)n1 O=C([O-])[*:1] Cc1cc(nc(n1)-n1nc(C)cc1C)Nc1ccc(cc1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)CC1 CC(C)N(C)C(=O)[*:1] C[C@@H]1CN(CCCNC(=O)N2CCC(CC2)[*:1])C[C@@H](C)O1
CC(C)N(C)C(=O)C1CCN(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)CC1 CC(C)[*:1] C[C@@H]1CN(CCCNC(=O)N2CCC(CC2)C(=O)N(C)[*:1])C[C@@H](C)O1
COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@@H](C)C2)cc1Br COc1ccc(cc1Br)[*:1] CC1NC(=O)N[C@H](C=1C(=O)O[C@H]1CCC[C@@H](C)C1)[*:1]
Cn1c(CN2CCC3=NN=C(c4ccccc4F)[C@H]3C2)nc2ccccc21 Fc1ccccc1[*:1] Cn1c(CN2CCC3=NN=C([C@H]3C2)[*:1])nc2ccccc21
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 Clc1ccc(cc1)O[*:1] Cc1nc(C[*:1])sc1C(=O)N(C)[C@H](C)c1cccc(c1)[N+](=O)[O-]
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H](C)[*:1]
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] Cc1nc(CO[*:1])sc1C(=O)N(C)[C@H](C)c1cccc(c1)[N+](=O)[O-]
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H](C)c1cccc(c1)[*:1]
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 Clc1ccc(cc1)OC[*:1] Cc1nc(sc1C(=O)N(C)[C@H](C)c1cccc(c1)[N+](=O)[O-])[*:1]
CCn1nccc1/C=C/C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)[*:1] CCn1nccc1/C=C/C(=O)NC1CCC(CC1)[*:1]
CCn1nccc1/C=C/C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CCn1nccc1[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)C=C[*:1]
CCn1nccc1/C=C/C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CCn1nccc1/C=C/C(=O)NC1CCC(CC1)C(=O)O[*:1]
CC(C)OCc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 CC(C)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)Nc1cccc(c1)CO[*:1]
CC(C)OCc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 CC(C)OC[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)Nc1cccc(c1)[*:1]
CC(C)OCc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 CC(C)O[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)Nc1cccc(c1)C[*:1]
CCOC(=O)Cc1csc(NC(=O)c2ccc(C#N)cc2)n1 CCOC(=O)[*:1] N#Cc1ccc(cc1)C(=O)Nc1nc(cs1)C[*:1]
CCOC(=O)Cc1csc(NC(=O)c2ccc(C#N)cc2)n1 CCOC(=O)C[*:1] N#Cc1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
Cc1ccc(-c2ccc(C(=O)[O-])c(O)c2)c(F)c1 O=C([O-])[*:1] Cc1ccc(-c2ccc(c(O)c2)[*:1])c(F)c1
N#Cc1ccncc1NCCCOc1ncc(C(F)(F)F)cc1Cl N#Cc1ccncc1[*:1] FC(F)(F)c1cnc(OCCCN[*:1])c(Cl)c1
N#Cc1ccncc1NCCCOc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] N#Cc1ccncc1NCCCOc1ncc(cc1Cl)[*:1]
Cc1cc(C[NH+](C)Cc2nc(N)nc(Nc3ccccc3C)n2)no1 Cc1ccccc1[*:1] Cc1cc(C[NH+](C)Cc2nc(N)nc(n2)N[*:1])no1
Cc1cc(C[NH+](C)Cc2nc(N)nc(Nc3ccccc3C)n2)no1 Cc1cc(no1)[*:1] Cc1ccccc1Nc1nc(N)nc(C[NH+](C)C[*:1])n1
Cc1cc(C[NH+](C)Cc2nc(N)nc(Nc3ccccc3C)n2)no1 Cc1cc(C[*:1])no1 Cc1ccccc1Nc1nc(N)nc(C[NH+](C)[*:1])n1
Cc1cc(C[NH+](C)Cc2nc(N)nc(Nc3ccccc3C)n2)no1 Cc1ccccc1N[*:1] Cc1cc(C[NH+](C)Cc2nc(N)nc(n2)[*:1])no1
Cc1nc(CN[C@@H](C(=O)N2CCOCC2)c2ccccc2)cs1 Cc1nc(cs1)C[*:1] O=C([C@H](N[*:1])c1ccccc1)N1CCOCC1
Cc1nc(CN[C@@H](C(=O)N2CCOCC2)c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CN[C@@H](C(=O)N1CCOCC1)[*:1]
Cc1nc(CN[C@@H](C(=O)N2CCOCC2)c2ccccc2)cs1 Cc1nc(cs1)[*:1] O=C([C@H](NC[*:1])c1ccccc1)N1CCOCC1
O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1cc(Br)ccc1Cl C1CC1C[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)c1cc(Br)ccc1Cl
O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1cc(Br)ccc1Cl O=C(NCC1CC1)[*:1] O=C(c1cc(Br)ccc1Cl)N1CSC[C@@H]1[*:1]
O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1cc(Br)ccc1Cl C1CC1[*:1] O=C(NC[*:1])[C@H]1CSCN1C(=O)c1cc(Br)ccc1Cl
COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(C)s2)cc1 Cc1ccc(s1)C(=O)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)CC[*:1]
COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(C)s2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)CCC(=O)N1CCC[C@@H]1[*:1]
COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(C)s2)cc1 Cc1ccc(s1)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)CCC(=O)[*:1]
C=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1cccs1 c1csc(c1)[*:1] C=CCN(CC(=O)N1CCN(CC1)c1ccc(nn1)-c1ccc(F)cc1)C(=O)[*:1]
C=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1cccs1 C=CCN(C(=O)c1cccs1)[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(nn1)-c1ccc(F)cc1
C=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1cccs1 Fc1ccc(cc1)[*:1] C=CCN(CC(=O)N1CCN(CC1)c1ccc(nn1)[*:1])C(=O)c1cccs1
C=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1cccs1 C=CC[*:1] O=C(CN(C(=O)c1cccs1)[*:1])N1CCN(CC1)c1ccc(nn1)-c1ccc(F)cc1
Cc1ccc(C)c(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)Nc2cc(C)on2)c1 Cc1cc(no1)[*:1] Cc1ccc(C)c(c1)-n1ccnc1S(=O)(=O)[C@@H](C)C(=O)N[*:1]
Cc1ccc(C)c(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)Nc2cc(C)on2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)S(=O)(=O)c1nccn1[*:1]
Cc1ccc(C)c(-n2ccnc2S(=O)(=O)[C@@H](C)C(=O)Nc2cc(C)on2)c1 Cc1cc(no1)NC(=O)[*:1] Cc1ccc(C)c(c1)-n1ccnc1S(=O)(=O)[C@@H](C)[*:1]
CCN1CCN(S(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)CC1 O=C1CCCC(=O)N1[*:1] CCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 O=[N+]([O-])[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NCc1ccc(s1)-c1ccccc1[*:1]
O=C(NNc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(NNc1ccc(F)cc1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(NNc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(NNc1ccc(F)cc1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NNc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 Fc1ccc(cc1)[*:1] O=C(NN[*:1])[C@H]1CC(=O)N(CCc2ccccc2)C1
O=C(NNc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NNc1ccc(F)cc1)[C@H]1CC(=O)N(CC[*:1])C1
NC(=O)NCCCCc1nc(Cc2cccc(Cl)c2)no1 NC(=O)NCC[*:1] Clc1cccc(c1)Cc1noc(CC[*:1])n1
NC(=O)NCCCCc1nc(Cc2cccc(Cl)c2)no1 NC(=O)NC[*:1] Clc1cccc(c1)Cc1noc(CCC[*:1])n1
NC(=O)NCCCCc1nc(Cc2cccc(Cl)c2)no1 NC(=O)NCCC[*:1] Clc1cccc(c1)Cc1noc(C[*:1])n1
NC(=O)NCCCCc1nc(Cc2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] NC(=O)NCCCCc1nc(C[*:1])no1
NC(=O)NCCCCc1nc(Cc2cccc(Cl)c2)no1 NC(=O)N[*:1] Clc1cccc(c1)Cc1noc(CCCC[*:1])n1
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@H]1CCCS1(=O)=O O=S1(=O)CCC[C@@H]1[*:1] Cc1nn(cc1[C@@H](C)[NH2+]C[*:1])C(C)(C)C
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@H]1CCCS1(=O)=O CC(C)(C)[*:1] Cc1nn(cc1[C@@H](C)[NH2+]C[C@H]1CCCS1(=O)=O)[*:1]
CC(C)(C)c1n[nH]c(C(=O)NC2CCC2)n1 CC(C)(C)[*:1] O=C(NC1CCC1)c1nc(n[nH]1)[*:1]
CC(C)(C)c1n[nH]c(C(=O)NC2CCC2)n1 C1CC(C1)[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)N[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)CN1C(=O)NC(=O)C1(C)C CCC[*:1] C[C@@H]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1[*:1]
CC(=O)NC1CCC([NH+](CCO)C2CC2)CC1 C1CC1[*:1] CC(=O)NC1CCC(CC1)[NH+](CCO)[*:1]
CC(=O)NC1CCC([NH+](CCO)C2CC2)CC1 CC(=O)N[*:1] OCC[NH+](C1CC1)C1CCC(CC1)[*:1]
CC(=O)NC1CCC([NH+](CCO)C2CC2)CC1 OCC[*:1] CC(=O)NC1CCC(CC1)[NH+](C1CC1)[*:1]
CCC[C@@H](C)c1nnc(NC(=O)c2cccc(F)c2)s1 CCC[*:1] C[C@@H](c1nnc(NC(=O)c2cccc(F)c2)s1)[*:1]
CCC[C@@H](C)c1nnc(NC(=O)c2cccc(F)c2)s1 CCC[C@@H](C)[*:1] O=C(Nc1nnc(s1)[*:1])c1cccc(F)c1
COc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC(C)C CC(C)[*:1] COc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC[*:1]
COc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC(C)C CC(C)C[*:1] COc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[*:1]
COc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC(C)C CC(C)COC(=O)[*:1] COc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1[*:1]
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C(N)=O)C1 CC(C)(C)[*:1] NC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2C[C@@H](CCc21)[*:1]
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C(N)=O)C1 NC(=O)[*:1] CC(C)(C)[C@@H]1CCc2c(C1)sc(NC(=O)c1c(F)c(F)c(F)c(F)c1F)c2[*:1]
C#CCOC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 C#CCOC(=O)[*:1] C[C@H](Oc1ccc(cc1)-c1ccccc1)[*:1]
C#CCOC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 C#CC[*:1] C[C@H](Oc1ccc(cc1)-c1ccccc1)C(=O)O[*:1]
C#CCOC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C#CCOC(=O)[C@H](C)Oc1ccc(cc1)[*:1]
COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)c3cnccn3)n2)c1 c1cnc(cn1)[*:1] COc1cccc(c1)Cc1cccc(n1)[C@H]1CCCN1C(=O)[*:1]
COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)c3cnccn3)n2)c1 COc1cccc(c1)C[*:1] O=C(c1cnccn1)N1CCC[C@@H]1c1cccc(n1)[*:1]
COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)c3cnccn3)n2)c1 COc1cccc(c1)[*:1] O=C(c1cnccn1)N1CCC[C@@H]1c1cccc(C[*:1])n1
CCn1ncc2c(C(=O)OCC#Cc3ccccc3)cc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)OCC#Cc1ccccc1
CCn1ncc2c(C(=O)OCC#Cc3ccccc3)cc(-c3ccccc3)nc21 C(#Cc1ccccc1)C[*:1] CCn1ncc2c(cc(nc21)-c1ccccc1)C(=O)O[*:1]
CCn1ncc2c(C(=O)OCC#Cc3ccccc3)cc(-c3ccccc3)nc21 C(#C[*:1])c1ccccc1 CCn1ncc2c(cc(nc21)-c1ccccc1)C(=O)OC[*:1]
CCn1ncc2c(C(=O)OCC#Cc3ccccc3)cc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] CCn1ncc2c(cc(nc21)-c1ccccc1)C(=O)OCC#C[*:1]
C#CC[C@H](C)OC(=O)COCc1nc(C)no1 C#CC[C@H](C)[*:1] Cc1noc(COCC(=O)O[*:1])n1
C#CC[C@H](C)OC(=O)COCc1nc(C)no1 C#CC[*:1] Cc1noc(COCC(=O)O[C@@H](C)[*:1])n1
CC(C)OCc1c(C(=O)NCC#Cc2ccccc2)oc2ccccc12 C(#C[*:1])c1ccccc1 CC(C)OCc1c(oc2ccccc12)C(=O)NC[*:1]
CC(C)OCc1c(C(=O)NCC#Cc2ccccc2)oc2ccccc12 CC(C)OC[*:1] O=C(NCC#Cc1ccccc1)c1oc2ccccc2c1[*:1]
CC(C)OCc1c(C(=O)NCC#Cc2ccccc2)oc2ccccc12 CC(C)O[*:1] O=C(NCC#Cc1ccccc1)c1oc2ccccc2c1C[*:1]
CC(C)OCc1c(C(=O)NCC#Cc2ccccc2)oc2ccccc12 CC(C)[*:1] O=C(NCC#Cc1ccccc1)c1oc2ccccc2c1CO[*:1]
CC(C)OCc1c(C(=O)NCC#Cc2ccccc2)oc2ccccc12 c1ccc(cc1)[*:1] CC(C)OCc1c(oc2ccccc12)C(=O)NCC#C[*:1]
O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)COC2 O=[N+]([O-])[*:1] O=C(NCCc1cccc(c1)[*:1])Nc1ccc2COCc2c1
CCOc1ccccc1Nc1ccc(N)c(OC)n1 CCO[*:1] COc1nc(ccc1N)Nc1ccccc1[*:1]
C[C@H]([NH2+]CCC(=O)N(C)C)c1nc2cc(Cl)ccc2n1C CN(C)C(=O)[*:1] C[C@H]([NH2+]CC[*:1])c1nc2cc(Cl)ccc2n1C
C[C@H]([NH2+]CCC(=O)N(C)C)c1nc2cc(Cl)ccc2n1C CN(C)C(=O)CC[*:1] C[C@H]([NH2+][*:1])c1nc2cc(Cl)ccc2n1C
C[C@H]([NH2+]CCC(=O)N(C)C)c1nc2cc(Cl)ccc2n1C CN(C)C(=O)C[*:1] C[C@H]([NH2+]C[*:1])c1nc2cc(Cl)ccc2n1C
CC1=C(C(=O)[O-])S(=O)(=O)CCO1 O=C([O-])[*:1] CC1OCCS(=O)(=O)C=1[*:1]
O=C(NCc1ccc(Cl)cc1)c1cc2c(s1)CS(=O)(=O)C2 Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1cc2CS(=O)(=O)Cc2s1
Cc1ccccc1[C@H]([NH2+][C@H](C)c1nccs1)C(C)C CC(C)[*:1] Cc1ccccc1[C@H]([NH2+][C@H](C)c1nccs1)[*:1]
Cc1ccccc1[C@H]([NH2+][C@H](C)c1nccs1)C(C)C c1csc(n1)[*:1] Cc1ccccc1[C@H]([NH2+][C@H](C)[*:1])C(C)C
Cc1ccc(/C=C/CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)CC=C[*:1])Cn1cc[nH+]c1
Cc1c(Br)c(C(F)F)nn1CC(=O)N[C@@H]1CCCC[C@H]1C C[C@@H]1CCCC[C@H]1[*:1] Cc1c(Br)c(nn1CC(=O)N[*:1])C(F)F
Cc1c(Br)c(C(F)F)nn1CC(=O)N[C@@H]1CCCC[C@H]1C FC(F)[*:1] Cc1c(Br)c(nn1CC(=O)N[C@@H]1CCCC[C@H]1C)[*:1]
Cc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc3cccnc32)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(CN2CCN(CC2)S(=O)(=O)[*:1])nc2cccnc21
Cc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc3cccnc32)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCN(CC1)Cc1nc2cccnc2n1[*:1]
COc1cccc(C(=O)N2CCS[C@]23C(=O)N(Cc2ccccc2F)c2ccc(OC)cc23)c1 Fc1ccccc1[*:1] COc1cccc(c1)C(=O)N1CCS[C@]12C(=O)N(C[*:1])c1ccc(cc12)OC
COc1cccc(C(=O)N2CCS[C@]23C(=O)N(Cc2ccccc2F)c2ccc(OC)cc23)c1 COc1cccc(c1)[*:1] COc1ccc2c(c1)[C@@]1(SCCN1C(=O)[*:1])C(=O)N2Cc1ccccc1F
COc1cccc(C(=O)N2CCS[C@]23C(=O)N(Cc2ccccc2F)c2ccc(OC)cc23)c1 Fc1ccccc1C[*:1] COc1cccc(c1)C(=O)N1CCS[C@]12C(=O)N(c1ccc(cc12)OC)[*:1]
COc1ccc(C)cc1NC(=O)Cn1c(=O)n(Cc2ccc(C)c(C)c2)c(=O)c2sccc21 COc1ccc(C)cc1[*:1] Cc1ccc(cc1C)Cn1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
COc1ccc(C)cc1NC(=O)Cn1c(=O)n(Cc2ccc(C)c(C)c2)c(=O)c2sccc21 Cc1ccc(cc1C)C[*:1] COc1ccc(C)cc1NC(=O)Cn1c(=O)n(c(=O)c2sccc21)[*:1]
COc1ccc(C)cc1NC(=O)Cn1c(=O)n(Cc2ccc(C)c(C)c2)c(=O)c2sccc21 Cc1ccc(cc1C)[*:1] COc1ccc(C)cc1NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2sccc21
Cc1ccc(-n2nnnc2CNC(=O)Cc2cccc3ccccc23)cc1C Cc1ccc(cc1C)[*:1] O=C(Cc1cccc2ccccc12)NCc1nnnn1[*:1]
Cc1cnn(CCCNC(=O)c2cnn3cc(Br)cnc23)c1 Cc1cnn(c1)[*:1] O=C(NCCC[*:1])c1cnn2cc(Br)cnc12
Cc1cnn(CCCNC(=O)c2cnn3cc(Br)cnc23)c1 Cc1cnn(c1)C[*:1] O=C(NCC[*:1])c1cnn2cc(Br)cnc12
O[C@H](Cc1sccc1Br)c1c[nH]nc1-c1ccccc1 c1ccc(cc1)[*:1] O[C@H](Cc1sccc1Br)c1c[nH]nc1[*:1]
O[C@H](Cc1sccc1Br)c1c[nH]nc1-c1ccccc1 Brc1ccsc1[*:1] O[C@H](C[*:1])c1c[nH]nc1-c1ccccc1
N#Cc1c(NC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)sc2c1CCC2 NC(=O)[*:1] N#Cc1c(NC(=O)CN2Cc3ccccc3C[C@@H]2[*:1])sc2CCCc21
C[NH+](Cc1ccc(Br)o1)CN1C(=O)c2ccccc2C1=O Brc1ccc(o1)[*:1] C[NH+](CN1C(=O)c2ccccc2C1=O)C[*:1]
C[NH+](Cc1ccc(Br)o1)CN1C(=O)c2ccccc2C1=O Brc1ccc(C[*:1])o1 C[NH+](CN1C(=O)c2ccccc2C1=O)[*:1]
COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)C[*:1] COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1O[*:1]
COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1OCC(F)F COc1ccccc1[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)[C@@H]1C[C@H]1[*:1]
COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)CO[*:1] COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1[*:1]
COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1OCC(F)F FC(F)[*:1] COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1OC[*:1]
O=S(=O)(/C=C/c1ccccc1)[N-]c1ncc(Cl)cc1Cl c1ccc(cc1)[*:1] O=S(=O)(C=C[*:1])[N-]c1ncc(Cl)cc1Cl
C[C@H](OC(=O)c1cccc(Cl)c1Cl)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)c1cccc(Cl)c1Cl)[*:1]
O=C(Nc1ccc(NC(=O)[C@@H]2C=CC=NC2=S)cc1)[C@@H]1CCCO1 O=C(N[*:1])[C@@H]1CCCO1 O=C(Nc1ccc(cc1)[*:1])[C@@H]1C=CC=NC1=S
O=C(Nc1ccc(NC(=O)[C@@H]2C=CC=NC2=S)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])[C@@H]1C=CC=NC1=S
CC[C@@H](C)c1ccccc1OCC(C)(C)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] CC[C@@H](C)c1ccccc1OC[*:1]
CC[C@@H](C)c1ccccc1OCC(C)(C)C(=O)[O-] CC[C@@H](C)[*:1] CC(C)(COc1ccccc1[*:1])C(=O)[O-]
CC[C@@H](C)c1ccccc1OCC(C)(C)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)c1ccccc1OCC(C)(C)[*:1]
C[C@@H](CC(=O)NNC(=O)Cc1ccccc1F)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@@H](CC(=O)NNC(=O)Cc1ccccc1F)NC(=O)[*:1]
C[C@@H](CC(=O)NNC(=O)Cc1ccccc1F)NC(=O)C1CCCC1 Fc1ccccc1[*:1] C[C@@H](CC(=O)NNC(=O)C[*:1])NC(=O)C1CCCC1
C[C@@H](CC(=O)NNC(=O)Cc1ccccc1F)NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 C[C@@H](CC(=O)NNC(=O)Cc1ccccc1F)[*:1]
C[C@@H](CC(=O)NNC(=O)Cc1ccccc1F)NC(=O)C1CCCC1 Fc1ccccc1C[*:1] C[C@@H](CC(=O)NNC(=O)[*:1])NC(=O)C1CCCC1
CC[C@H](c1ccccc1)S(=O)(=O)c1nnc(NC2CC2)s1 c1ccc(cc1)[*:1] CC[C@H](S(=O)(=O)c1nnc(NC2CC2)s1)[*:1]
CC[C@H](c1ccccc1)S(=O)(=O)c1nnc(NC2CC2)s1 C1CC1N[*:1] CC[C@H](c1ccccc1)S(=O)(=O)c1nnc(s1)[*:1]
CC[C@H](c1ccccc1)S(=O)(=O)c1nnc(NC2CC2)s1 C1CC1[*:1] CC[C@H](c1ccccc1)S(=O)(=O)c1nnc(N[*:1])s1
CC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCNC(=O)C2)CC1 CC(C)(C)[*:1] O=C1CN(CCN1)C(=O)C1CCC(CC1)CNC(=O)O[*:1]
CC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCNC(=O)C2)CC1 CC(C)(C)OC(=O)N[*:1] O=C1CN(CCN1)C(=O)C1CCC(CC1)C[*:1]
COc1ccccc1-c1cc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)n[nH]1 COc1ccccc1[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1cc([nH]n1)[*:1]
C[C@](C(=O)[O-])(c1cc(F)cc(F)c1)[NH+]1CCCC1 O=C([O-])[*:1] C[C@](c1cc(F)cc(F)c1)([NH+]1CCCC1)[*:1]
Cc1csc(C[NH+](C)Cc2cnc(-c3ccsc3)s2)n1 c1cc(cs1)[*:1] Cc1csc(C[NH+](C)Cc2cnc(s2)[*:1])n1
Cc1csc(C[NH+](C)Cc2cnc(-c3ccsc3)s2)n1 Cc1csc(n1)[*:1] C[NH+](Cc1cnc(s1)-c1ccsc1)C[*:1]
O=C(OCc1cn2ccccc2n1)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)CO[*:1] O=C(OCc1cn2ccccc2n1)c1ccc(cc1)[*:1]
COC[C@H](C)C(=O)N[C@H](c1ccc(OC)cc1)C1CCOCC1 C1CC(CCO1)[*:1] COC[C@H](C)C(=O)N[C@H](c1ccc(cc1)OC)[*:1]
COC[C@H](C)C(=O)N[C@H](c1ccc(OC)cc1)C1CCOCC1 COC[*:1] COc1ccc(cc1)[C@@H](NC(=O)[C@@H](C)[*:1])C1CCOCC1
COC[C@H](C)C(=O)N[C@H](c1ccc(OC)cc1)C1CCOCC1 COC[C@H](C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)[*:1])C1CCOCC1
COC1CCN(CC[NH2+][C@H](c2ccccn2)C2CCCC2)CC1 c1ccc(nc1)[*:1] COC1CCN(CC[NH2+][C@H](C2CCCC2)[*:1])CC1
COC1CCN(CC[NH2+][C@H](c2ccccn2)C2CCCC2)CC1 C1CCC(C1)[*:1] COC1CCN(CC[NH2+][C@H](c2ccccn2)[*:1])CC1
COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)c1 Clc1cc(Br)ccc1[*:1] COc1ccc(OC)c(c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CC[C@@H](C(=O)Nc1ccc(Br)cc1)n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21 c1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccc(Br)cc1)n1c(=O)cc(C)c2c(C)nn(c21)[*:1]
CC[C@@H](C(=O)Nc1ccc(Br)cc1)n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21 Brc1ccc(cc1)[*:1] CC[C@@H](C(=O)N[*:1])n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21
CC[C@@H](C(=O)Nc1ccc(Br)cc1)n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21 O=C(Nc1ccc(Br)cc1)[*:1] CC[C@@H](n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21)[*:1]
CC(C)CNC(=O)NC(=O)[C@H](C)Sc1cccc(Br)c1 CC(C)[*:1] C[C@H](Sc1cccc(Br)c1)C(=O)NC(=O)NC[*:1]
CC(C)CNC(=O)NC(=O)[C@H](C)Sc1cccc(Br)c1 CC(C)C[*:1] C[C@H](Sc1cccc(Br)c1)C(=O)NC(=O)N[*:1]
C=CCn1c(C)nnc1S(=O)(=O)Cc1ccc(OC)cc1Cl C=CC[*:1] COc1ccc(CS(=O)(=O)c2nnc(C)n2[*:1])c(Cl)c1
CCCCn1c(N)c(N(C)C(=O)c2ccc(C(C)C)cc2)c(=O)[nH]c1=O CCCC[*:1] CC(C)c1ccc(cc1)C(=O)N(C)c1c(N)n(c(=O)[nH]c1=O)[*:1]
CCCCn1c(N)c(N(C)C(=O)c2ccc(C(C)C)cc2)c(=O)[nH]c1=O CCC[*:1] CC(C)c1ccc(cc1)C(=O)N(C)c1c(N)n(C[*:1])c(=O)[nH]c1=O
CCCCn1c(N)c(N(C)C(=O)c2ccc(C(C)C)cc2)c(=O)[nH]c1=O CC(C)[*:1] CCCCn1c(N)c(c(=O)[nH]c1=O)N(C)C(=O)c1ccc(cc1)[*:1]
Cc1ccc(NNC(=O)c2csc(-c3ccco3)n2)cc1Cl c1coc(c1)[*:1] Cc1ccc(cc1Cl)NNC(=O)c1csc(n1)[*:1]
Cc1ccc(OCCN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 Cc1ccc(cc1)O[*:1] CN(CC[*:1])S(=O)(=O)c1ccc2ccccc2c1
Cc1ccc(OCCN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 Cc1ccc(cc1)[*:1] CN(CCO[*:1])S(=O)(=O)c1ccc2ccccc2c1
C[C@H](Oc1cccc(C#N)c1)C(=O)N[C@H]1CCCc2ccc(F)cc21 N#Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N[C@H]1CCCc2ccc(F)cc21
Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@H](C)C2)c1 C[C@H]1CCCN(C1)[*:1] Cc1cccc(c1)S(=O)(=O)Nc1cc(cnc1[*:1])C(=O)[O-]
Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@H](C)C2)c1 Cc1cccc(c1)[*:1] C[C@H]1CCCN(C1)c1ncc(cc1NS(=O)(=O)[*:1])C(=O)[O-]
Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@H](C)C2)c1 O=C([O-])[*:1] Cc1cccc(c1)S(=O)(=O)Nc1cc(cnc1N1CCC[C@H](C)C1)[*:1]
O=C(Cn1nnc2ccccc21)N(Cc1cccs1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[*:1]
O=C(Cn1nnc2ccccc21)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)[*:1] O=C(Cn1nnc2ccccc21)N(C[C@H]1CCCO1)C[*:1]
O=C(Cn1nnc2ccccc21)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)C[*:1] O=C(Cn1nnc2ccccc21)N(C[C@H]1CCCO1)[*:1]
Cc1ccc(Cl)cc1NC(=O)NC[C@H](C)C#N C[C@H](C#N)C[*:1] Cc1ccc(Cl)cc1NC(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)NC[C@H](C)C#N C[C@H](C#N)[*:1] Cc1ccc(Cl)cc1NC(=O)NC[*:1]
CC/[NH+]=C(/NCc1cccc(-n2cccn2)c1)N1CC[C@H]([N+]2=CCCC2)C1 c1cnn(c1)[*:1] CC/[NH+]=C(/NCc1cccc(c1)[*:1])N1CC[C@@H](C1)[N+]1=CCCC1
CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 CN(C)S(=O)(=O)[*:1] CCc1ccc(cc1)O[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 CCc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)C
COC(=O)Cn1/c(=N/C(=O)c2ccco2)sc2cc(C)c(C)cc21 COC(=O)C[*:1] Cc1cc2s/c(=N\C(=O)c3ccco3)n(c2cc1C)[*:1]
COC(=O)Cn1/c(=N/C(=O)c2ccco2)sc2cc(C)c(C)cc21 COC(=O)[*:1] Cc1cc2s/c(=N\C(=O)c3ccco3)n(C[*:1])c2cc1C
COC(=O)Cn1/c(=N/C(=O)c2ccco2)sc2cc(C)c(C)cc21 c1coc(c1)[*:1] COC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc(C)c(C)cc21
CCOC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O Cc1cc(ccc1Cl)O[*:1] CCOC(=O)/C(C#N)=C\c1c(nc2ccccn2c1=O)[*:1]
CCOC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O CCOC(=O)[*:1] Cc1cc(ccc1Cl)Oc1nc2ccccn2c(=O)c1C=C(C#N)[*:1]
CCOC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O CCOC(=O)C(C#N)=C[*:1] Cc1cc(ccc1Cl)Oc1nc2ccccn2c(=O)c1[*:1]
CCOC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O Cc1cc(ccc1Cl)[*:1] CCOC(=O)/C(C#N)=C\c1c(nc2ccccn2c1=O)O[*:1]
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Cl)cc1F N#CC[*:1] C[C@@H](N(C)C(=O)Nc1ccc(Cl)cc1F)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)C(=O)Cc1cccc(c1)OCC#N)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 COC(=O)C(C)(C)[*:1] N#CCOc1cccc(c1)CC(=O)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 N#CCO[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)Cc1cccc(c1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 N#CC[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)Cc1cccc(c1)O[*:1]
CCCC[NH+]1CCC(OCCC[NH3+])CC1 CCCC[*:1] [NH3+]CCCOC1CC[NH+](CC1)[*:1]
CCCC[NH+]1CCC(OCCC[NH3+])CC1 [NH3+]CC[*:1] CCCC[NH+]1CCC(CC1)OC[*:1]
CCCC[NH+]1CCC(OCCC[NH3+])CC1 [NH3+]CCC[*:1] CCCC[NH+]1CCC(CC1)O[*:1]
CCCC[NH+]1CCC(OCCC[NH3+])CC1 [NH3+]CCCO[*:1] CCCC[NH+]1CCC(CC1)[*:1]
CCCC[NH+]1CCC(OCCC[NH3+])CC1 CCC[*:1] [NH3+]CCCOC1CC[NH+](CC1)C[*:1]
Cc1cc(C)cc(C[C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1 c1csc(n1)[*:1] Cc1cc(C)cc(c1)C[C@@H](C)[NH2+]C1CCN(CC1)[*:1]
C[C@H](Cc1ccco1)NS(=O)(=O)c1cnn(C)c1 c1coc(c1)C[*:1] C[C@H](NS(=O)(=O)c1cnn(C)c1)[*:1]
C[C@H](Cc1ccco1)NS(=O)(=O)c1cnn(C)c1 c1coc(c1)[*:1] C[C@H](C[*:1])NS(=O)(=O)c1cnn(C)c1
C[C@H](Cc1ccco1)NS(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](Cc1ccco1)NS(=O)(=O)[*:1]
O=C1CNc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2N1 c1ccc(cc1)[*:1] O=C1CNc2ccc(cc2N1)C(=O)N1CCC(CC1)C[*:1]
O=C1CNc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2N1 c1ccc(cc1)C[*:1] O=C1CNc2ccc(cc2N1)C(=O)N1CCC(CC1)[*:1]
Cc1nc(CCCN(C[C@@H](C)O)c2ccccc2)cs1 C[C@@H](O)C[*:1] Cc1nc(cs1)CCCN(c1ccccc1)[*:1]
Cc1nc(CCCN(C[C@@H](C)O)c2ccccc2)cs1 C[C@@H](O)[*:1] Cc1nc(cs1)CCCN(C[*:1])c1ccccc1
Cc1nc(CCCN(C[C@@H](C)O)c2ccccc2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CCCN(C[C@@H](C)O)[*:1]
Cc1nc(CCCN(C[C@@H](C)O)c2ccccc2)cs1 Cc1nc(cs1)[*:1] C[C@@H](O)CN(CCC[*:1])c1ccccc1
Cn1c(=O)ccn(CC(=O)NC2(c3ccc(F)cc3F)CCCC2)c1=O Fc1ccc(c(F)c1)[*:1] Cn1c(=O)ccn(CC(=O)NC2(CCCC2)[*:1])c1=O
CCCc1c(C(=O)N(C)Cc2c(C)noc2C)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCCc1c(nnn1[*:1])C(=O)N(C)Cc1c(C)noc1C
CCCc1c(C(=O)N(C)Cc2c(C)noc2C)nnn1-c1cccc(Cl)c1 Cc1noc(C)c1C[*:1] CCCc1c(nnn1-c1cccc(Cl)c1)C(=O)N(C)[*:1]
CCCc1c(C(=O)N(C)Cc2c(C)noc2C)nnn1-c1cccc(Cl)c1 CCC[*:1] Cc1noc(C)c1CN(C)C(=O)c1nnn(-c2cccc(Cl)c2)c1[*:1]
CCCc1c(C(=O)N(C)Cc2c(C)noc2C)nnn1-c1cccc(Cl)c1 Cc1noc(C)c1[*:1] CCCc1c(nnn1-c1cccc(Cl)c1)C(=O)N(C)C[*:1]
COC1CCN(C(=O)C(=O)Nc2cc(C(C)C)on2)CC1 CC(C)[*:1] COC1CCN(CC1)C(=O)C(=O)Nc1cc(on1)[*:1]
CN(C(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)N[C@@H]1CC(=O)N(C1)c1cccc(F)c1)[*:1]
CN(C(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)C1CCCCC1 Fc1cccc(c1)[*:1] CN(C(=O)N[C@@H]1CC(=O)N(C1)[*:1])C1CCCCC1
O=C([O-])[C@H]1CCCN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)C1 FC(F)(F)[*:1] O=C([O-])[C@H]1CCCN(C1)c1nc(cc(n1)[*:1])-c1ccco1
O=C([O-])[C@H]1CCCN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)C1 O=C([O-])[*:1] FC(F)(F)c1cc(nc(n1)N1CCC[C@@H](C1)[*:1])-c1ccco1
O=C([O-])[C@H]1CCCN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)C1 c1coc(c1)[*:1] O=C([O-])[C@H]1CCCN(C1)c1nc(cc(n1)[*:1])C(F)(F)F
NNC(=O)c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1 NNC(=O)[*:1] Fc1ccc(cc1)-n1cc(nn1)-c1noc(n1)[*:1]
NNC(=O)c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1 Fc1ccc(cc1)[*:1] NNC(=O)c1nc(no1)-c1cn(nn1)[*:1]
CCc1nn(C)cc1CNC(=O)c1cc2c(C(C)C)nn(C)c2s1 CCc1nn(C)cc1[*:1] CC(C)c1nn(C)c2sc(cc12)C(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)c1cc2c(C(C)C)nn(C)c2s1 CC(C)[*:1] CCc1nn(C)cc1CNC(=O)c1cc2c(nn(C)c2s1)[*:1]
O=C(Cc1cccc(Br)c1)N[C@H]1c2ccccc2C[C@H]1O Brc1cccc(c1)[*:1] O=C(C[*:1])N[C@H]1c2ccccc2C[C@H]1O
[NH3+][C@@H](CCCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 O=C([O-])CCC[*:1] [NH3+][C@@H](C[*:1])c1ccc(cc1)-c1ccccc1
[NH3+][C@@H](CCCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 O=C([O-])[*:1] [NH3+][C@@H](CCCC[*:1])c1ccc(cc1)-c1ccccc1
[NH3+][C@@H](CCCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] [NH3+][C@@H](CCCCC(=O)[O-])c1ccc(cc1)[*:1]
[NH3+][C@@H](CCCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 O=C([O-])CC[*:1] [NH3+][C@@H](CC[*:1])c1ccc(cc1)-c1ccccc1
[NH3+][C@@H](CCCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 O=C([O-])C[*:1] [NH3+][C@@H](CCC[*:1])c1ccc(cc1)-c1ccccc1
N[C@H](Cc1cccc(O)c1)c1ccc(Br)cc1C(F)(F)F FC(F)(F)[*:1] N[C@H](Cc1cccc(O)c1)c1ccc(Br)cc1[*:1]
N[C@H](Cc1cccc(O)c1)c1ccc(Br)cc1C(F)(F)F Oc1cccc(c1)[*:1] N[C@H](C[*:1])c1ccc(Br)cc1C(F)(F)F
Cc1cccc(OCCC/C([O-])=N/S(=O)(=O)c2ccccc2C)c1 Cc1cccc(c1)O[*:1] Cc1ccccc1S(=O)(=O)/N=C(\[O-])CCC[*:1]
Cc1cccc(OCCC/C([O-])=N/S(=O)(=O)c2ccccc2C)c1 Cc1cccc(c1)[*:1] Cc1ccccc1S(=O)(=O)/N=C(\[O-])CCCO[*:1]
Cc1cccc(OCCC/C([O-])=N/S(=O)(=O)c2ccccc2C)c1 Cc1ccccc1[*:1] Cc1cccc(c1)OCCC/C([O-])=N/S(=O)(=O)[*:1]
c1nc(N2CCC[C@H](c3nncn3C3CC3)C2)c2nc[nH]c2n1 C1CC1[*:1] c1nc(c2nc[nH]c2n1)N1CCC[C@@H](C1)c1nncn1[*:1]
CCO[C@H]1C[C@H](N(C)C(=O)Cn2c(C)csc2=O)C1(CC)CC CCO[*:1] CCC1(CC)[C@H](C[C@@H]1[*:1])N(C)C(=O)Cn1c(C)csc1=O
CCO[C@H]1C[C@H](N(C)C(=O)Cn2c(C)csc2=O)C1(CC)CC Cc1csc(=O)n1[*:1] CCO[C@H]1C[C@H](N(C)C(=O)C[*:1])C1(CC)CC
C[NH2+][C@@H]([C@@H]1CC[C@H](C)C1)[C@@H]1CCOC2(CCCCC2)C1 C[C@H]1CC[C@H](C1)[*:1] C[NH2+][C@@H]([C@@H]1CCOC2(CCCCC2)C1)[*:1]
c1ccc(CC[NH+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 C1CC1c1nc(no1)[*:1] c1ccc(cc1)CC[NH+]1CCCN(CC1)C[*:1]
c1ccc(CC[NH+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 c1ccc(cc1)C[*:1] C1CN(CC[NH+](C1)C[*:1])Cc1noc(n1)C1CC1
c1ccc(CC[NH+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 c1ccc(cc1)[*:1] C1CN(CC[NH+](C1)CC[*:1])Cc1noc(n1)C1CC1
c1ccc(CC[NH+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 c1ccc(cc1)CC[*:1] C1CN(CC[NH+](C1)[*:1])Cc1noc(n1)C1CC1
c1ccc(CC[NH+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 C1CC1[*:1] c1ccc(cc1)CC[NH+]1CCCN(CC1)Cc1noc(n1)[*:1]
C[C@H](CCc1cccn1C)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1 Cn1cccc1CC[*:1] C[C@H](Nc1ccc(cn1)S(=O)(=O)N1CCCCC1)[*:1]
C[C@H](CCc1cccn1C)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1 Cn1cccc1C[*:1] C[C@H](C[*:1])Nc1ccc(cn1)S(=O)(=O)N1CCCCC1
C[C@H](CCc1cccn1C)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1 Cn1cccc1[*:1] C[C@H](CC[*:1])Nc1ccc(cn1)S(=O)(=O)N1CCCCC1
Cc1noc(C2CCN(C(=O)N[C@@H](C)COc3ccc(F)cc3)CC2)n1 Cc1noc(n1)[*:1] C[C@@H](COc1ccc(F)cc1)NC(=O)N1CCC(CC1)[*:1]
Cc1noc(C2CCN(C(=O)N[C@@H](C)COc3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)O[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)N[C@@H](C)C[*:1]
Cc1noc(C2CCN(C(=O)N[C@@H](C)COc3ccc(F)cc3)CC2)n1 Fc1ccc(cc1)[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)N[C@@H](C)CO[*:1]
Cc1cccc(OCc2nc(CN(C)C(=O)c3ccccc3)cs2)c1C c1ccc(cc1)[*:1] Cc1cccc(OCc2nc(cs2)CN(C)C(=O)[*:1])c1C
Cc1cccc(OCc2nc(CN(C)C(=O)c3ccccc3)cs2)c1C Cc1cccc(c1C)[*:1] CN(Cc1csc(CO[*:1])n1)C(=O)c1ccccc1
CCCn1cnc2ccc(Br)cc2c1=O CCC[*:1] O=c1c2cc(Br)ccc2ncn1[*:1]
CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 Fc1ccc(cc1)[*:1] CCN(S(=O)(=O)c1ccc(cc1)OC)[*:1]
O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)NCc1ccc(F)cc1 O=C([O-])[*:1] O=C(Cn1nc(c2ccccc2c1=O)[*:1])NCc1ccc(F)cc1
O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)NC[*:1]
O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)N[*:1]
CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1 CCO[*:1] C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(cc1)[*:1]
COCCN1C[C@H](n2cc(-c3ccc4c(c3)CC(C)(C)O4)nn2)CC1=O COC[*:1] CC1(C)Cc2cc(ccc2O1)-c1cn(nn1)[C@@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@H](n2cc(-c3ccc4c(c3)CC(C)(C)O4)nn2)CC1=O COCC[*:1] CC1(C)Cc2cc(ccc2O1)-c1cn(nn1)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](CN(C)C(=O)NCCCn1cnc2ccccc21)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CN(C[*:1])C(=O)NCCCn1cnc2ccccc21
C[C@@H](CN(C)C(=O)NCCCn1cnc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CN(C)C(=O)NCCCn1cnc2ccccc21)[*:1]
C[C@H]1CCCN(C(=O)NC[C@H]2CC[C@H](C(=O)[O-])O2)CC1 O=C([O-])[*:1] C[C@H]1CCCN(CC1)C(=O)NC[C@H]1CC[C@H](O1)[*:1]
Cc1ccccc1C#CC(=O)[O-] O=C([O-])[*:1] Cc1ccccc1C#C[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)/C=C/c1ccc2c(c1)CCO2 COc1ccccc1[*:1] C[C@H](C[*:1])N(C)C(=O)/C=C/c1ccc2OCCc2c1
O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(N2C(=O)CCC2=O)c1 c1cncc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cccc(c1)N1C(=O)CCC1=O
O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(N2C(=O)CCC2=O)c1 O=C1CCC(=O)N1[*:1] O=C(Nc1nc(cs1)-c1cccnc1)c1cccc(c1)[*:1]
O[C@H](C[NH2+]C1CCCCC1)COc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O[C@H](C[NH2+]C1CCCCC1)COc1ccccc1[*:1]
Cc1cccc(NC(=O)NC[C@](C)(O)c2cnn(C)c2)c1Cl Cn1cc(cn1)[*:1] Cc1cccc(NC(=O)NC[C@](C)(O)[*:1])c1Cl
O=C(Nc1cc(F)ccc1F)N(CCC(F)(F)F)CC1CC1 C1CC1C[*:1] O=C(Nc1cc(F)ccc1F)N(CCC(F)(F)F)[*:1]
O=C(Nc1cc(F)ccc1F)N(CCC(F)(F)F)CC1CC1 FC(F)(F)C[*:1] O=C(Nc1cc(F)ccc1F)N(CC1CC1)C[*:1]
O=C(Nc1cc(F)ccc1F)N(CCC(F)(F)F)CC1CC1 C1CC1[*:1] O=C(Nc1cc(F)ccc1F)N(CCC(F)(F)F)C[*:1]
O=C(Nc1cc(F)ccc1F)N(CCC(F)(F)F)CC1CC1 FC(F)(F)CC[*:1] O=C(Nc1cc(F)ccc1F)N(CC1CC1)[*:1]
O=C(Nc1cc(F)ccc1F)N(CCC(F)(F)F)CC1CC1 FC(F)(F)[*:1] O=C(Nc1cc(F)ccc1F)N(CC[*:1])CC1CC1
Cc1ncccc1NC(=O)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C Fc1ccc(cc1)[*:1] Cc1ncccc1NC(=O)C(=O)N[C@H](C[*:1])C(C)C
Cc1ncccc1NC(=O)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C CC(C)[*:1] Cc1ncccc1NC(=O)C(=O)N[C@H](Cc1ccc(F)cc1)[*:1]
Cc1ncccc1NC(=O)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C Cc1ncccc1[*:1] CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C(=O)N[*:1]
Cc1ncccc1NC(=O)C(=O)N[C@H](Cc1ccc(F)cc1)C(C)C Fc1ccc(cc1)C[*:1] Cc1ncccc1NC(=O)C(=O)N[C@H](C(C)C)[*:1]
C#CC[C@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C#CC[C@@]1(CCCN(C1)C(=O)O[*:1])C(=O)[O-]
C#CC[C@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 O=C([O-])[*:1] C#CC[C@@]1(CCCN(C1)C(=O)OC(C)(C)C)[*:1]
C#CC[C@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 C#CC[*:1] CC(C)(C)OC(=O)N1CCC[C@](C1)(C(=O)[O-])[*:1]
COc1cc(OC)c([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1OC Cc1ccc(c(C)c1)[*:1] COc1cc(OC)c(cc1OC)[C@H]1C(C(=O)N[*:1])=C(C)Nc2ncnn21
COc1cc(OC)c([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1OC Cc1ccc(NC(=O)[*:1])c(C)c1 COc1cc(OC)c(cc1OC)[C@H]1C(=C(C)Nc2ncnn21)[*:1]
CNS(=O)(=O)CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] CNS(=O)(=O)CC(=O)N[C@@H](C1CCCCC1)[*:1]
CNS(=O)(=O)CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 CNS(=O)(=O)[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)C1CCCCC1
CNS(=O)(=O)CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] CNS(=O)(=O)CC(=O)N[C@@H](c1ccccc1)[*:1]
CNS(=O)(=O)CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 CNS(=O)(=O)C[*:1] O=C(N[C@@H](c1ccccc1)C1CCCCC1)[*:1]
CC(=O)NCCCN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] CC(=O)N[*:1] CN(CCC[*:1])C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
CC(=O)NCCCN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] CC(=O)NCC[*:1] CN(C[*:1])C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
CC(=O)NCCCN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] CC(=O)NCCC[*:1] CN(C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
CC(=O)NCCCN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=O)NCCCN(C)C(=O)c1ccc(cc1[*:1])C(F)(F)F
CC(=O)NCCCN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] CC(=O)NCCCN(C)C(=O)c1ccc(cc1[N+](=O)[O-])[*:1]
CC(=O)NCCCN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] CC(=O)NC[*:1] CN(CC[*:1])C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
CN[C@H](c1cncnc1)[C@H]1CN(C(C)C)CCO1 CC(C)[*:1] CN[C@H](c1cncnc1)[C@H]1CN(CCO1)[*:1]
CN[C@H](c1cncnc1)[C@H]1CN(C(C)C)CCO1 c1ncc(cn1)[*:1] CN[C@H]([C@H]1CN(CCO1)C(C)C)[*:1]
Cc1ccnc([C@H](NS(=O)(=O)c2c(C)sc3ccc(Cl)cc23)C2CC2)n1 Cc1ccnc(n1)[*:1] Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N[C@H](C1CC1)[*:1]
Cc1ccnc([C@H](NS(=O)(=O)c2c(C)sc3ccc(Cl)cc23)C2CC2)n1 C1CC1[*:1] Cc1ccnc(n1)[C@H](NS(=O)(=O)c1c(C)sc2ccc(Cl)cc12)[*:1]
CC(C)C[NH+]1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 CC(C)[*:1] O=C1c2ccccc2C(=O)N1CCCN1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 CC(C)C[*:1] O=C1c2ccccc2C(=O)N1CCCN1CC[NH+](CC1)[*:1]
O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)N[C@H](CO)c1ccco1 C1CCCN(CC1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])N[C@H](CO)c1ccco1
O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)N[C@H](CO)c1ccco1 OC[C@H](c1ccco1)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCCC1)N[*:1]
O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCCC1)N[C@H](CO)[*:1]
COCCN(C(C)=O)[C@H]1N[C@H](C)[C@H](C(=O)Nc2nc(C)cs2)S1 COCC[*:1] CC(=O)N([C@H]1N[C@H](C)[C@@H](S1)C(=O)Nc1nc(C)cs1)[*:1]
COCCN(C(C)=O)[C@H]1N[C@H](C)[C@H](C(=O)Nc2nc(C)cs2)S1 COC[*:1] CC(=O)N(C[*:1])[C@H]1N[C@H](C)[C@@H](S1)C(=O)Nc1nc(C)cs1
COCCN(C(C)=O)[C@H]1N[C@H](C)[C@H](C(=O)Nc2nc(C)cs2)S1 Cc1csc(n1)[*:1] COCCN(C(C)=O)[C@H]1N[C@H](C)[C@@H](S1)C(=O)N[*:1]
CC(C)(CCBr)c1ccc(F)c(F)c1 BrCC[*:1] CC(C)(c1ccc(F)c(F)c1)[*:1]
OC[C@@H](/[NH+]=C/c1cc2cc(Cl)ccc2o1)c1ccccc1 c1ccc(cc1)[*:1] OC[C@@H](/[NH+]=C/c1cc2cc(Cl)ccc2o1)[*:1]
FC(F)(F)COCCCN1CCN(c2cc[nH+]c3ccsc23)CC1 FC(F)(F)C[*:1] c1cc(c2sccc2[nH+]1)N1CCN(CCCO[*:1])CC1
FC(F)(F)COCCCN1CCN(c2cc[nH+]c3ccsc23)CC1 FC(F)(F)COC[*:1] c1cc(c2sccc2[nH+]1)N1CCN(CC1)CC[*:1]
FC(F)(F)COCCCN1CCN(c2cc[nH+]c3ccsc23)CC1 FC(F)(F)CO[*:1] c1cc(c2sccc2[nH+]1)N1CCN(CCC[*:1])CC1
FC(F)(F)COCCCN1CCN(c2cc[nH+]c3ccsc23)CC1 FC(F)(F)COCC[*:1] c1cc(c2sccc2[nH+]1)N1CCN(CC1)C[*:1]
FC(F)(F)COCCCN1CCN(c2cc[nH+]c3ccsc23)CC1 FC(F)(F)[*:1] c1cc(c2sccc2[nH+]1)N1CCN(CCCOC[*:1])CC1
CC[NH+](CCCC(=O)N(C)C)C1CCC([NH3+])CC1 CN(C)C(=O)[*:1] CC[NH+](CCC[*:1])C1CCC([NH3+])CC1
CC[NH+](CCCC(=O)N(C)C)C1CCC([NH3+])CC1 CN(C)C(=O)C[*:1] CC[NH+](CC[*:1])C1CCC([NH3+])CC1
Cn1cc(C(=O)N2CCC(Nc3cccnn3)CC2)c(-c2ccccc2)n1 c1cnnc(c1)[*:1] Cn1cc(C(=O)N2CCC(CC2)N[*:1])c(n1)-c1ccccc1
Cn1cc(C(=O)N2CCC(Nc3cccnn3)CC2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)N2CCC(CC2)Nc2cccnn2)c(n1)[*:1]
Cn1cc(C(=O)N2CCC(Nc3cccnn3)CC2)c(-c2ccccc2)n1 c1cnnc(c1)N[*:1] Cn1cc(C(=O)N2CCC(CC2)[*:1])c(n1)-c1ccccc1
CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 CC[C@H](C)[*:1] CN(CC(=O)N[*:1])S(=O)(=O)c1ccc2ccccc2c1
CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 CC[C@H](C)NC(=O)[*:1] CN(C[*:1])S(=O)(=O)c1ccc2ccccc2c1
Cc1ccc(CNC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NC[*:1]
C1=C[C@@H]([C@@H]2Nn3c(nnc3-c3ccco3)S2)N=N1 c1coc(c1)[*:1] C1=C[C@H](N=N1)[C@@H]1Nn2c(nnc2[*:1])S1
CCn1nc(C)c2nc(C)nc(N(C)Cc3cccs3)c21 c1csc(c1)C[*:1] CCn1nc(C)c2nc(C)nc(c21)N(C)[*:1]
CCn1nc(C)c2nc(C)nc(N(C)Cc3cccs3)c21 c1csc(c1)[*:1] CCn1nc(C)c2nc(C)nc(c21)N(C)C[*:1]
CN(Cc1cccs1)C(=O)NCc1cccc(OCC(N)=O)c1 NC(=O)CO[*:1] CN(Cc1cccs1)C(=O)NCc1cccc(c1)[*:1]
CN(Cc1cccs1)C(=O)NCc1cccc(OCC(N)=O)c1 NC(=O)C[*:1] CN(Cc1cccs1)C(=O)NCc1cccc(c1)O[*:1]
CN(Cc1cccs1)C(=O)NCc1cccc(OCC(N)=O)c1 c1csc(c1)[*:1] CN(C[*:1])C(=O)NCc1cccc(c1)OCC(N)=O
CN(Cc1cccs1)C(=O)NCc1cccc(OCC(N)=O)c1 c1csc(c1)C[*:1] CN(C(=O)NCc1cccc(c1)OCC(N)=O)[*:1]
CN(Cc1cccs1)C(=O)NCc1cccc(OCC(N)=O)c1 NC(=O)[*:1] CN(Cc1cccs1)C(=O)NCc1cccc(c1)OC[*:1]
COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 CN(C)C(=O)[*:1] COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C)[*:1]
COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)[*:1])C(=O)N(C)C
O=C1[C@@H]2CC=C[C@@H]2C1(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@@H]2CC=C[C@@H]2C1(c1ccccc1)[*:1]
N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc2ccccc2n1 c1ccc2nc(ccc2c1)[*:1] N#C[C@H](C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F)[*:1]
N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc2ccccc2n1 FC(F)(F)c1ccc(cc1)[*:1] N#C[C@H](C(=O)C1CCN(CC1)C(=O)[*:1])c1ccc2ccccc2n1
N#C[C@H](C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc2ccccc2n1 FC(F)(F)[*:1] N#C[C@H](C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1])c1ccc2ccccc2n1
NC(=O)C1CCN(c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[N+](=O)[O-])CC1 NC(=O)[*:1] O=C(Nc1cc(F)cc(F)c1)c1ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)[*:1]
NC(=O)C1CCN(c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[N+](=O)[O-])CC1 Fc1cc(F)cc(c1)[*:1] NC(=O)C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
NC(=O)C1CCN(c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[N+](=O)[O-])CC1 NC(=O)C1CCN(CC1)[*:1] O=C(Nc1cc(F)cc(F)c1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
NC(=O)C1CCN(c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] NC(=O)C1CCN(CC1)c1ccc(cc1[*:1])C(=O)Nc1cc(F)cc(F)c1
CCOc1cc(C(=O)NC[C@H]2CCC[C@@H]2O)ccc1C CCO[*:1] Cc1ccc(cc1[*:1])C(=O)NC[C@H]1CCC[C@@H]1O
O=C(N/N=C/C=C\c1cccc([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(N/N=C/C=C[*:1])C(O)(c1ccccc1)c1ccccc1
O=C(N/N=C/C=C\c1cccc([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C/C=C\c1cccc(c1)[N+](=O)[O-])C(O)(c1ccccc1)[*:1]
O=C(N/N=C/C=C\c1cccc([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1 O=[N+]([O-])[*:1] O=C(N/N=C/C=C\c1cccc(c1)[*:1])C(O)(c1ccccc1)c1ccccc1
Cc1ccsc1CNc1cccc(C(=O)N(C)Cc2snnc2C)c1 Cc1ccsc1CN[*:1] Cc1nnsc1CN(C)C(=O)c1cccc(c1)[*:1]
Cc1ccsc1CNc1cccc(C(=O)N(C)Cc2snnc2C)c1 Cc1nnsc1C[*:1] Cc1ccsc1CNc1cccc(c1)C(=O)N(C)[*:1]
Cc1ccsc1CNc1cccc(C(=O)N(C)Cc2snnc2C)c1 Cc1nnsc1[*:1] Cc1ccsc1CNc1cccc(c1)C(=O)N(C)C[*:1]
Cc1ccsc1CNc1cccc(C(=O)N(C)Cc2snnc2C)c1 Cc1ccsc1C[*:1] Cc1nnsc1CN(C)C(=O)c1cccc(c1)N[*:1]
Cc1ccsc1CNc1cccc(C(=O)N(C)Cc2snnc2C)c1 Cc1ccsc1[*:1] Cc1nnsc1CN(C)C(=O)c1cccc(c1)NC[*:1]
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(Cl)c(c1)[*:1])C(=O)Nc1ccc(Br)cc1
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(Cl)c(c1)[N+](=O)[O-])C(=O)N[*:1]
Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2nnc3ccccn23)c1 Cc1cccc(c1)O[*:1] C[C@@H](NC(=O)[C@@H](C)[*:1])c1nnc2ccccn12
Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2nnc3ccccn23)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N[C@H](C)c1nnc2ccccn12
C/C(=C/c1nc(-c2cnccn2)no1)c1ccc(F)cc1F c1cnc(cn1)[*:1] C/C(=C/c1nc(no1)[*:1])c1ccc(F)cc1F
CC(=O)C(C(C)=O)=C1SCCCS1 CC(=O)[*:1] CC(=O)C(=C1SCCCS1)[*:1]
CCCCNC(=O)N1CCN(C(=O)c2ccccc2O)CC1 CCC[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)c1ccccc1O
CCCCNC(=O)N1CCN(C(=O)c2ccccc2O)CC1 Oc1ccccc1[*:1] CCCCNC(=O)N1CCN(CC1)C(=O)[*:1]
CCCCNC(=O)N1CCN(C(=O)c2ccccc2O)CC1 CCCC[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1ccccc1O
Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1c[nH]c2ccccc12 Clc1ccc(cc1)[*:1] Cn1c(CO[*:1])nnc1SCC(=O)c1c[nH]c2ccccc12
Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)[*:1]
Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1c[nH]c2ccccc12 Clc1ccc(cc1)O[*:1] Cn1c(C[*:1])nnc1SCC(=O)c1c[nH]c2ccccc12
Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1c[nH]c2ccccc12 Clc1ccc(cc1)OC[*:1] Cn1c(nnc1[*:1])SCC(=O)c1c[nH]c2ccccc12
CC(C)COC1CCN(S(=O)(=O)N(C)C(C)C)CC1 CC(C)CO[*:1] CC(C)N(C)S(=O)(=O)N1CCC(CC1)[*:1]
CC(C)COC1CCN(S(=O)(=O)N(C)C(C)C)CC1 CC(C)C[*:1] CC(C)N(C)S(=O)(=O)N1CCC(CC1)O[*:1]
CC(C)COC1CCN(S(=O)(=O)N(C)C(C)C)CC1 CC(C)[*:1] CC(C)N(C)S(=O)(=O)N1CCC(CC1)OC[*:1]
CC(C)COC1CCN(S(=O)(=O)N(C)C(C)C)CC1 CC(C)[*:1] CC(C)COC1CCN(CC1)S(=O)(=O)N(C)[*:1]
COc1ccc(NC(=O)c2cn(C)nc2C(C)(C)C)cc1OCC(F)(F)F FC(F)(F)C[*:1] COc1ccc(cc1O[*:1])NC(=O)c1cn(C)nc1C(C)(C)C
COc1ccc(NC(=O)c2cn(C)nc2C(C)(C)C)cc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1ccc(cc1[*:1])NC(=O)c1cn(C)nc1C(C)(C)C
COc1ccc(NC(=O)c2cn(C)nc2C(C)(C)C)cc1OCC(F)(F)F CC(C)(C)[*:1] COc1ccc(cc1OCC(F)(F)F)NC(=O)c1cn(C)nc1[*:1]
COc1ccc(NC(=O)c2cn(C)nc2C(C)(C)C)cc1OCC(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1OC[*:1])NC(=O)c1cn(C)nc1C(C)(C)C
COCc1ccc(C[NH+](C(C)C)C2CCC2)o1 C1CC(C1)[*:1] COCc1ccc(C[NH+](C(C)C)[*:1])o1
COCc1ccc(C[NH+](C(C)C)C2CCC2)o1 CC(C)[*:1] COCc1ccc(C[NH+](C2CCC2)[*:1])o1
COCc1ccc(C[NH+](C(C)C)C2CCC2)o1 COC[*:1] CC(C)[NH+](Cc1ccc(o1)[*:1])C1CCC1
Cc1ccc(SCCNC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)S[*:1] Cc1ccc(cc1)N1C(=O)N(CC(=O)NCC[*:1])C(=O)[C@H]1C
Cc1ccc(SCCNC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)SCCNC(=O)CN1C(=O)[C@@H](C)N(C1=O)[*:1]
Cc1ccc(SCCNC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)SC[*:1] Cc1ccc(cc1)N1C(=O)N(CC(=O)NC[*:1])C(=O)[C@H]1C
Cc1ccc(SCCNC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)N(CC(=O)NCCS[*:1])C(=O)[C@H]1C
Cc1cc(C)cc(CSCc2cc(C(=O)[O-])c(C)o2)c1 O=C([O-])[*:1] Cc1cc(C)cc(c1)CSCc1cc(c(C)o1)[*:1]
COC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)C(O)(c1ccccc1)c1ccccc1 COC(=O)[*:1] Cc1ccc2=[NH+][C@@H](C(NC(=O)C(O)(c3ccccc3)c3ccccc3)=c2c1)[*:1]
COC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)C(O)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)C(O)(c1ccccc1)[*:1]
COCc1c(C(=O)Nc2cccc(Cl)c2C)nnn1-c1ccccc1 Cc1c(Cl)cccc1[*:1] COCc1c(nnn1-c1ccccc1)C(=O)N[*:1]
COCc1c(C(=O)Nc2cccc(Cl)c2C)nnn1-c1ccccc1 c1ccc(cc1)[*:1] COCc1c(nnn1[*:1])C(=O)Nc1cccc(Cl)c1C
COCc1c(C(=O)Nc2cccc(Cl)c2C)nnn1-c1ccccc1 COC[*:1] Cc1c(Cl)cccc1NC(=O)c1nnn(-c2ccccc2)c1[*:1]
O=C(N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1)[C@@H]1Cc2ccccc2CN1 c1cc2OCOc2cc1[*:1] O=C(N[C@@H](C(=O)N[*:1])c1ccccc1)[C@@H]1Cc2ccccc2CN1
O=C(N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1)[C@@H]1Cc2ccccc2CN1 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)Nc1ccc2OCOc2c1)[*:1])[C@@H]1Cc2ccccc2CN1
COc1ccc2c(COC(=O)C3(c4ccc5c(c4)OCCO5)CCCC3)cc(=O)oc2c1 c1cc2OCCOc2cc1[*:1] COc1ccc2c(cc(=O)oc2c1)COC(=O)C1(CCCC1)[*:1]
CC(C)(C)[C@](O)(Cn1cncn1)[C@@H]1O[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C)[C@](O)(Cn1cncn1)[C@@H]1O[C@H]1[*:1]
CC(C)(C)[C@](O)(Cn1cncn1)[C@@H]1O[C@@H]1c1ccc(Cl)cc1 CC(C)(C)[*:1] O[C@](Cn1cncn1)([C@@H]1O[C@@H]1c1ccc(Cl)cc1)[*:1]
CC(C)(C)[C@](O)(Cn1cncn1)[C@@H]1O[C@@H]1c1ccc(Cl)cc1 c1ncn(C[*:1])n1 CC(C)(C)[C@](O)([C@@H]1O[C@@H]1c1ccc(Cl)cc1)[*:1]
CC(C)(C)[C@](O)(Cn1cncn1)[C@@H]1O[C@@H]1c1ccc(Cl)cc1 c1ncn(n1)[*:1] CC(C)(C)[C@](O)(C[*:1])[C@@H]1O[C@@H]1c1ccc(Cl)cc1
Cc1ccoc1C(=O)N1CCN(c2nccs2)CC1 Cc1ccoc1[*:1] O=C(N1CCN(CC1)c1nccs1)[*:1]
Cc1ccoc1C(=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] Cc1ccoc1C(=O)N1CCN(CC1)[*:1]
COc1ccccc1-n1nc(C(=O)NC2CCCCCC2)c2ccccc2c1=O C1CCCC(CC1)[*:1] COc1ccccc1-n1nc(C(=O)N[*:1])c2ccccc2c1=O
COc1ccccc1-n1nc(C(=O)NC2CCCCCC2)c2ccccc2c1=O COc1ccccc1[*:1] O=C(NC1CCCCCC1)c1nn(c(=O)c2ccccc12)[*:1]
C=CCNc1ccc(C(=O)Nc2ccccc2)nn1 c1ccc(cc1)[*:1] C=CCNc1ccc(nn1)C(=O)N[*:1]
C=CCNc1ccc(C(=O)Nc2ccccc2)nn1 C=CCN[*:1] O=C(Nc1ccccc1)c1ccc(nn1)[*:1]
C=CCNc1ccc(C(=O)Nc2ccccc2)nn1 C=CC[*:1] O=C(Nc1ccccc1)c1ccc(nn1)N[*:1]
C[C@H](C1CC1)n1nccc1NC(=O)CSc1nncn1C1CC1 C1CC1[*:1] C[C@H](C1CC1)n1nccc1NC(=O)CSc1nncn1[*:1]
C[C@H](C1CC1)n1nccc1NC(=O)CSc1nncn1C1CC1 C[C@H](C1CC1)[*:1] O=C(CSc1nncn1C1CC1)Nc1ccnn1[*:1]
C[C@H](C1CC1)n1nccc1NC(=O)CSc1nncn1C1CC1 C1CC1[*:1] C[C@H](n1nccc1NC(=O)CSc1nncn1C1CC1)[*:1]
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1CN1C(=O)CNC1=O O=C1CNC(=O)N1[*:1] O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1C[*:1]
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1CN1C(=O)CNC1=O c1ccc2c(c[nH]c2c1)[*:1] O=C(C[*:1])NNC(=O)c1ccccc1CN1C(=O)CNC1=O
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1CN1C(=O)CNC1=O c1ccc2c(c[nH]c2c1)C[*:1] O=C(NNC(=O)[*:1])c1ccccc1CN1C(=O)CNC1=O
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1CN1C(=O)CNC1=O O=C1CNC(=O)N1C[*:1] O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1[*:1]
C[C@@]1(C(=O)Nc2cccc(F)c2)Sc2ccccc2NC1=O Fc1cccc(c1)[*:1] C[C@]1(Sc2ccccc2NC1=O)C(=O)N[*:1]
CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)NC(=N[C@H]2[*:1])Nc1nc2ccccc2o1
CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1cccc([N+](=O)[O-])c1 c1ccc2oc(nc2c1)[*:1] CC1(C)CC(=O)C2=C(C1)NC(=N[C@@H]2c1cccc(c1)[N+](=O)[O-])N[*:1]
CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC1(C)CC(=O)C2=C(C1)NC(=N[C@@H]2c1cccc(c1)[*:1])Nc1nc2ccccc2o1
C[C@H](O)CN(C)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O C[C@H](O)[*:1] CN(C[*:1])C(=O)N[C@H]1CCN(C1=O)c1ccccc1F
C[C@H](O)CN(C)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O C[C@H](O)C[*:1] CN(C(=O)N[C@H]1CCN(C1=O)c1ccccc1F)[*:1]
C[C@H](O)CN(C)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] C[C@H](O)CN(C)C(=O)N[C@H]1CCN(C1=O)[*:1]
CC(C)CC(=O)N1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 c1cc(ccn1)[*:1] CC(C)CC(=O)N1CCO[C@@](Cc2cccc(c2)[*:1])(C1)C(N)=O
CC(C)CC(=O)N1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 CC(C)C[*:1] NC(=O)[C@]1(Cc2cccc(c2)-c2ccncc2)CN(CCO1)C(=O)[*:1]
CC(C)CC(=O)N1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 CC(C)[*:1] NC(=O)[C@]1(Cc2cccc(c2)-c2ccncc2)CN(CCO1)C(=O)C[*:1]
CC(C)CC(=O)N1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 NC(=O)[*:1] CC(C)CC(=O)N1CCO[C@](Cc2cccc(c2)-c2ccncc2)(C1)[*:1]
COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)[C@@H]4CCCO4)CC3)C1)c1cccn1-2 C1CO[C@@H](C1)[*:1] COc1ccc2c(c1)N[C@]1(COC3(CCN(CC3)C(=O)[*:1])C1)c1cccn1-2
CC(C)COC(=O)C1CCN(C(=O)c2ccccc2)CC1 CC(C)[*:1] O=C(OC[*:1])C1CCN(CC1)C(=O)c1ccccc1
CC(C)COC(=O)C1CCN(C(=O)c2ccccc2)CC1 CC(C)COC(=O)[*:1] O=C(c1ccccc1)N1CCC(CC1)[*:1]
CC(C)COC(=O)C1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)COC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)COC(=O)C1CCN(C(=O)c2ccccc2)CC1 CC(C)C[*:1] O=C(O[*:1])C1CCN(CC1)C(=O)c1ccccc1
CC(C)Oc1ccccc1NC(=O)[C@@H](C)c1cccs1 CC(C)O[*:1] C[C@H](C(=O)Nc1ccccc1[*:1])c1cccs1
CC(C)Oc1ccccc1NC(=O)[C@@H](C)c1cccs1 CC(C)[*:1] C[C@H](C(=O)Nc1ccccc1O[*:1])c1cccs1
CC(C)Oc1ccccc1NC(=O)[C@@H](C)c1cccs1 c1csc(c1)[*:1] CC(C)Oc1ccccc1NC(=O)[C@@H](C)[*:1]
O=C(NCCc1cccnc1)[C@@H]1COc2ccc(F)cc2C1 c1cncc(c1)[*:1] O=C(NCC[*:1])[C@@H]1COc2ccc(F)cc2C1
O=C(NCCc1cccnc1)[C@@H]1COc2ccc(F)cc2C1 c1cncc(c1)C[*:1] O=C(NC[*:1])[C@@H]1COc2ccc(F)cc2C1
COc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)c2cccc(F)c2)CC1=O COc1ccccc1[*:1] O=C(NCCNC(=O)[C@H]1CC(=O)N(C1)[*:1])c1cccc(F)c1
COc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)c2cccc(F)c2)CC1=O Fc1cccc(c1)[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)NCCNC(=O)[*:1]
COCCC1(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)CCC1 COCC[*:1] Cn1c(nc2cc(ccc21)NC(=O)C1(CCC1)[*:1])C1CC1
COCCC1(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)CCC1 COC[*:1] Cn1c(nc2cc(ccc21)NC(=O)C1(CCC1)C[*:1])C1CC1
COCCC1(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)CCC1 COCCC1(CCC1)[*:1] Cn1c(nc2cc(ccc21)NC(=O)[*:1])C1CC1
COCCC1(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)CCC1 C1CC1[*:1] COCCC1(CCC1)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
COc1ccc(Cn2ccc3c(nnc4c(-c5ccccc5)cnn43)c2=O)cc1 COc1ccc(cc1)C[*:1] O=c1c2nnc3c(cnn3c2ccn1[*:1])-c1ccccc1
COc1ccc(Cn2ccc3c(nnc4c(-c5ccccc5)cnn43)c2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)Cn1ccc2c(nnc3c(cnn32)[*:1])c1=O
COc1ccc(Cn2ccc3c(nnc4c(-c5ccccc5)cnn43)c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c2nnc3c(cnn3c2ccn1C[*:1])-c1ccccc1
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)NCCc1cccc(c1)[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)NCC[*:1]
O=Cc1ccc(OC(=O)c2cccs2)c(Cl)c1 c1csc(c1)[*:1] O=Cc1ccc(OC(=O)[*:1])c(Cl)c1
Cn1c(CNC(=O)CCNC(=O)c2ccc3c(c2)OCO3)cc(=O)n(C)c1=O c1cc2OCOc2cc1[*:1] Cn1c(cc(=O)n(C)c1=O)CNC(=O)CCNC(=O)[*:1]
CC(=O)N1CCN(Cc2cc(N[C@@H]3CCC[C@@H](C4CC4)C3)cc[nH+]2)CC1 C1CC1[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N[C@@H]1CCC[C@@H](C1)[*:1]
C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 COc1cccc(c1)[*:1] C[C@@H](C(=O)OCC(=O)[*:1])N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CC1CC1 C1CC1[*:1] CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C[*:1]
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CC1CC1 CCCC[*:1] CN(CC1CC1)C(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CC1CC1 C1CC1C[*:1] CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)[*:1]
CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CC1CC1 CCC[*:1] CN(CC1CC1)C(=O)[C@H]1CCCN1S(=O)(=O)C[*:1]
CC1CCC(C[NH+](C)Cc2cncs2)CC1 c1ncc(s1)[*:1] CC1CCC(CC1)C[NH+](C)C[*:1]
CCn1c(CNC(=O)Nc2nccs2)nc2ccccc21 c1csc(n1)[*:1] CCn1c(CNC(=O)N[*:1])nc2ccccc21
C[C@H]1CCN(C(=O)NC2CCCC2)C[C@H]1[NH3+] C1CCC(C1)[*:1] C[C@H]1CCN(C[C@H]1[NH3+])C(=O)N[*:1]
O=C1N[C@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)CS1 FC(F)(F)[*:1] O=C1N[C@@H](CS1)C(=O)NC1(CCC1)c1cccc(c1)[*:1]
CCCn1ccc2c(OCC(=O)Nc3cc(Cl)ccc3OC)cccc2c1=O CCC[*:1] COc1ccc(Cl)cc1NC(=O)COc1cccc2c(=O)n(ccc12)[*:1]
CCCn1ccc2c(OCC(=O)Nc3cc(Cl)ccc3OC)cccc2c1=O COc1ccc(Cl)cc1[*:1] CCCn1ccc2c(cccc2c1=O)OCC(=O)N[*:1]
CCC(=O)c1ccc(OC(=O)[C@H](C)NC(=O)c2ccoc2)cc1 c1cc(co1)[*:1] CCC(=O)c1ccc(cc1)OC(=O)[C@H](C)NC(=O)[*:1]
CCC(=O)c1ccc(OC(=O)[C@H](C)NC(=O)c2ccoc2)cc1 CCC(=O)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)Oc1ccc(cc1)[*:1]
c1cncc(-c2cccc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)c2)c1 c1cncc(c1)[*:1] c1cc(cc(c1)[*:1])CN1CC[C@H](C1)C[NH+]1CCCCC1
COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)C1CC1 C1CC1[*:1] COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)[*:1]
COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)C1CC1 COC[*:1] Cc1ccc2cc(CN(C[*:1])C(=O)C3CC3)c(Cl)nc2c1C
COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)C1CC1 COCC[*:1] Cc1ccc2cc(CN(C(=O)C3CC3)[*:1])c(Cl)nc2c1C
CN(C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCCCC1 c1ccc(cc1)[*:1] CN(C(=O)C1CCN(CC1)S(=O)(=O)[*:1])C1CCCCC1
CN(C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1)[*:1]
CC(C)C(=O)Nc1nc(-c2ccc(F)cc2F)cs1 CC(C)[*:1] O=C(Nc1nc(cs1)-c1ccc(F)cc1F)[*:1]
CC(C)C(=O)Nc1nc(-c2ccc(F)cc2F)cs1 CC(C)C(=O)N[*:1] Fc1ccc(-c2csc(n2)[*:1])c(F)c1
CC(C)C[C@]1(C)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O CC(C)[*:1] C[C@@]1(C[*:1])NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O
CC(C)C[C@]1(C)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O CC(C)C[*:1] C[C@@]1(NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O)[*:1]
CN1C[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CC1=O Fc1ccc(cc1)[*:1] CN1C[C@@H](CC1=O)C(=O)N[C@@H](c1ccccc1)[*:1]
CN1C[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CC1=O c1ccc(cc1)[*:1] CN1C[C@@H](CC1=O)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
COc1ccc(S(=O)(=O)N(C)c2ccnc(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1 COc1ccc(cc1)[*:1] CN(c1ccnc(c1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N(C)c2ccnc(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)c1ccnc(c1)C(=O)N1CCN(CC1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(-c2ccc(F)cc2)o1 CNC(=O)[*:1] C[C@@H](CN(C)C(=O)c1ccc(o1)-c1ccc(F)cc1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(o1)[*:1]
Cc1cc(C(N)=O)cc(C)c1OCCC1OCCCO1 NC(=O)[*:1] Cc1cc(cc(C)c1OCCC1OCCCO1)[*:1]
Cc1cc(C(N)=O)cc(C)c1OCCC1OCCCO1 C1COC(OC1)[*:1] Cc1cc(cc(C)c1OCC[*:1])C(N)=O
CCOc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CCOC)c(=O)n(C)c3nc12 c1ccc(cc1)[*:1] CCOc1ccccc1-n1c(cn2c3c(=O)n(CCOC)c(=O)n(C)c3nc12)[*:1]
CCOc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CCOC)c(=O)n(C)c3nc12 CCO[*:1] COCCn1c(=O)c2c(nc3n(-c4ccccc4[*:1])c(cn23)-c2ccccc2)n(C)c1=O
CCOc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CCOC)c(=O)n(C)c3nc12 CCOc1ccccc1[*:1] COCCn1c(=O)c2c(nc3n(c(cn23)-c2ccccc2)[*:1])n(C)c1=O
CCOc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CCOC)c(=O)n(C)c3nc12 COC[*:1] CCOc1ccccc1-n1c(cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12)-c1ccccc1
CCOc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CCOC)c(=O)n(C)c3nc12 COCC[*:1] CCOc1ccccc1-n1c(cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1])-c1ccccc1
C[C@](O)(CNC(=O)c1ccc(C(N)=O)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)C(N)=O)[*:1]
C[C@](O)(CNC(=O)c1ccc(C(N)=O)cc1)c1ccsc1 NC(=O)[*:1] C[C@](O)(CNC(=O)c1ccc(cc1)[*:1])c1ccsc1
NC(=O)c1ccc(OCC(=O)NCC2(c3ccccc3)CCC2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)OCC(=O)NCC1(CCC1)[*:1]
NC(=O)c1ccc(OCC(=O)NCC2(c3ccccc3)CCC2)cc1 NC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])NCC1(CCC1)c1ccccc1
CCc1cccc(NC(=O)c2ncoc2-c2cccs2)c1 c1csc(c1)[*:1] CCc1cccc(c1)NC(=O)c1ncoc1[*:1]
CC(=O)NCCNc1cccc([C@@H]2CCC[NH2+]C2)[nH+]1 CC(=O)N[*:1] c1cc(NCC[*:1])[nH+]c(c1)[C@@H]1CCC[NH2+]C1
CC(=O)NCCNc1cccc([C@@H]2CCC[NH2+]C2)[nH+]1 CC(=O)NC[*:1] c1cc(NC[*:1])[nH+]c(c1)[C@@H]1CCC[NH2+]C1
CC(=O)NCCNc1cccc([C@@H]2CCC[NH2+]C2)[nH+]1 CC(=O)NCC[*:1] c1cc(N[*:1])[nH+]c(c1)[C@@H]1CCC[NH2+]C1
O=C(CNC(=O)c1ccco1)N/N=C/[C@@H]1C=NN=C1c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccco1)N/N=C/[C@@H]1C=NN=C1[*:1]
O=C(CNC(=O)c1ccco1)N/N=C/[C@@H]1C=NN=C1c1ccccc1 O=C(N[*:1])c1ccco1 O=C(C[*:1])N/N=C/[C@@H]1C=NN=C1c1ccccc1
O=C(CNC(=O)c1ccco1)N/N=C/[C@@H]1C=NN=C1c1ccccc1 c1coc(c1)[*:1] O=C(CNC(=O)[*:1])N/N=C/[C@@H]1C=NN=C1c1ccccc1
CC(C)n1ncc2cc(/C=C/C(=O)NCC(C3CC3)C3CC3)c(=O)[nH]c21 C1CC1C(C[*:1])C1CC1 CC(C)n1ncc2cc(/C=C/C(=O)N[*:1])c(=O)[nH]c21
CC(C)n1ncc2cc(/C=C/C(=O)NCC(C3CC3)C3CC3)c(=O)[nH]c21 C1CC1C(C1CC1)[*:1] CC(C)n1ncc2cc(/C=C/C(=O)NC[*:1])c(=O)[nH]c21
CC(C)n1ncc2cc(/C=C/C(=O)NCC(C3CC3)C3CC3)c(=O)[nH]c21 C1CC1[*:1] CC(C)n1ncc2cc(/C=C/C(=O)NCC(C3CC3)[*:1])c(=O)[nH]c21
CC(C)n1ncc2cc(/C=C/C(=O)NCC(C3CC3)C3CC3)c(=O)[nH]c21 CC(C)[*:1] O=C(/C=C/c1cc2cnn(c2[nH]c1=O)[*:1])NCC(C1CC1)C1CC1
[NH3+]CCc1nnc([C@@H]2Cc3ccccc3S2)o1 [NH3+]CC[*:1] c1ccc2S[C@@H](Cc2c1)c1nnc(o1)[*:1]
CON(C)C(=O)c1ccc(NC(=O)NCCCn2cc(C)cn2)cc1 Cc1cnn(c1)C[*:1] CON(C)C(=O)c1ccc(cc1)NC(=O)NCC[*:1]
CON(C)C(=O)c1ccc(NC(=O)NCCCn2cc(C)cn2)cc1 Cc1cnn(c1)CC[*:1] CON(C)C(=O)c1ccc(cc1)NC(=O)NC[*:1]
CON(C)C(=O)c1ccc(NC(=O)NCCCn2cc(C)cn2)cc1 Cc1cnn(c1)[*:1] CON(C)C(=O)c1ccc(cc1)NC(=O)NCCC[*:1]
CON(C)C(=O)c1ccc(NC(=O)NCCCn2cc(C)cn2)cc1 CON(C)C(=O)[*:1] Cc1cnn(c1)CCCNC(=O)Nc1ccc(cc1)[*:1]
C[C@H]([NH2+]Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]Cc1ccc(Cl)cc1)C(=O)N[*:1]
Cc1csc(CCCCNC(=O)N(C)[C@@H](C)c2ccccc2F)n1 Cc1csc(n1)[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)NCCCC[*:1]
Cc1csc(CCCCNC(=O)N(C)[C@@H](C)c2ccccc2F)n1 Fc1ccccc1[*:1] Cc1csc(CCCCNC(=O)N(C)[C@@H](C)[*:1])n1
Cc1csc(CCCCNC(=O)N(C)[C@@H](C)c2ccccc2F)n1 Cc1csc(C[*:1])n1 C[C@@H](c1ccccc1F)N(C)C(=O)NCCC[*:1]
Cc1csc(CCCCNC(=O)N(C)[C@@H](C)c2ccccc2F)n1 Cc1csc(CC[*:1])n1 C[C@@H](c1ccccc1F)N(C)C(=O)NCC[*:1]
CC[C@H]1CN(C(=O)c2c(F)cccc2OC)CCC(=O)N1Cc1ccccc1 COc1cccc(F)c1[*:1] CC[C@H]1CN(CCC(=O)N1Cc1ccccc1)C(=O)[*:1]
CC[C@H]1CN(C(=O)c2c(F)cccc2OC)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CN(CCC(=O)N1C[*:1])C(=O)c1c(F)cccc1OC
CC[C@H]1CN(C(=O)c2c(F)cccc2OC)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@H]1CN(CCC(=O)N1[*:1])C(=O)c1c(F)cccc1OC
CCc1nc(-c2ccc(C(=O)N(C)[C@@H](CC)CSC)cc2)n[nH]1 CSC[*:1] CCc1nc(n[nH]1)-c1ccc(cc1)C(=O)N(C)[C@@H](CC)[*:1]
CCc1nc(-c2ccc(C(=O)N(C)[C@@H](CC)CSC)cc2)n[nH]1 CCc1nc(n[nH]1)[*:1] CC[C@@H](CSC)N(C)C(=O)c1ccc(cc1)[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)c2ccccc2Cn2cncn2)C[C@H](C)O1 c1ncn(C[*:1])n1 C[C@H]1CN(C[C@H](C)O1)C(C)(C)CNC(=O)c1ccccc1[*:1]
C[C@H]1CN(C(C)(C)CNC(=O)c2ccccc2Cn2cncn2)C[C@H](C)O1 c1ncn(n1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(C)(C)CNC(=O)c1ccccc1C[*:1]
CCn1nc(C)c(NC(=O)NC(c2ccccc2)c2ccccc2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)NC(c2ccccc2)[*:1])c1C
C[C@@H]1OCC[C@H]1C(=O)NCCCNC(=O)c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C[C@@H]1OCC[C@H]1C(=O)NCCCNC(=O)[*:1]
Cc1nccn1-c1ccc(CNC(=O)Nc2cnc(-c3ccccc3)s2)cn1 Cc1nccn1[*:1] O=C(NCc1ccc(nc1)[*:1])Nc1cnc(s1)-c1ccccc1
Cc1nccn1-c1ccc(CNC(=O)Nc2cnc(-c3ccccc3)s2)cn1 c1ccc(cc1)[*:1] Cc1nccn1-c1ccc(cn1)CNC(=O)Nc1cnc(s1)[*:1]
CCCc1cc([O-])n2nc(CNc3ccc(C)c(Cl)c3)nc2n1 CCC[*:1] Cc1ccc(cc1Cl)NCc1nc2nc(cc([O-])n2n1)[*:1]
O=C(Nc1ccc(F)cc1F)c1csc(C#CCCO)c1 OCC[*:1] O=C(Nc1ccc(F)cc1F)c1csc(C#C[*:1])c1
O=C(Nc1ccc(F)cc1F)c1csc(C#CCCO)c1 OCCC#C[*:1] O=C(Nc1ccc(F)cc1F)c1csc(c1)[*:1]
N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1-n1cccn1 c1cnn(c1)[*:1] N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1[*:1]
CO[C@@]1(C)C[C@@H](NC(=O)CCCc2nc(C(C)(C)C)no2)C1(C)C CC(C)(C)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)CCCc2nc(no2)[*:1])C1(C)C
Cc1c(C(=O)Nc2cccc3ncccc23)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1cccc2ncccc12
O=C([O-])c1sc2ccccc2c1CSC[C@H](O)CO OC[C@@H](O)C[*:1] O=C([O-])c1sc2ccccc2c1CS[*:1]
O=C([O-])c1sc2ccccc2c1CSC[C@H](O)CO OC[C@@H](O)[*:1] O=C([O-])c1sc2ccccc2c1CSC[*:1]
O=C([O-])c1sc2ccccc2c1CSC[C@H](O)CO OC[C@@H](O)CS[*:1] O=C([O-])c1sc2ccccc2c1C[*:1]
O=C([O-])c1sc2ccccc2c1CSC[C@H](O)CO O=C([O-])[*:1] OC[C@@H](O)CSCc1c(sc2ccccc12)[*:1]
C#CCNc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1 C#CC[*:1] O=C(c1cccc(c1)N[*:1])N1CCC[C@@H](CO)C1
C#CCNc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1 C#CCN[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@@H](CO)C1
CN(C)C(=O)C1CCN(c2cccc[nH+]2)CC1 CN(C)C(=O)[*:1] c1ccc([nH+]c1)N1CCC(CC1)[*:1]
O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] O=C(N[C@H]1CCC[C@@H](C1)[*:1])c1cccc(c1F)C(F)(F)F
O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] O=C(N[C@H]1CCC[C@H](C1)C(F)(F)F)c1cccc(c1F)[*:1]
CS(=O)(=O)c1ccccc1NC(=O)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] CS(=O)(=O)c1ccccc1NC(=O)N1CCOC[C@H]1[*:1]
CS(=O)(=O)c1ccccc1NC(=O)N1CCOC[C@@H]1C1CC1 CS(=O)(=O)[*:1] O=C(Nc1ccccc1[*:1])N1CCOC[C@@H]1C1CC1
Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1 FC(F)(F)[*:1] Cc1cc(NC(=O)Nc2cccc(c2)[*:1])c2ccccc2n1
C[C@H]1C(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]1C(=O)N(CC(=O)Nc2ccc(cc2)S(C)(=O)=O)C(=O)N1[*:1]
C[C@H]1C(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1ccc(F)cc1 CS(=O)(=O)[*:1] C[C@H]1C(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C(=O)N1c1ccc(F)cc1
CCn1nc(C)c(CNC(=O)Nc2cccc(Cl)c2-n2cccn2)c1C c1cnn(c1)[*:1] CCn1nc(C)c(CNC(=O)Nc2cccc(Cl)c2[*:1])c1C
CCn1cnnc1-c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 CCn1cnnc1[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CCn1cnnc1-c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 Clc1ccc(cc1)[*:1] CCn1cnnc1-c1cccc(c1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cc(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)on1 Cc1cc(on1)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)[*:1]
Cc1cc(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)on1 CN(C)C(=O)[*:1] Cc1cc(on1)C(=O)Nc1ccc(F)c(c1)[*:1]
Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)n1 Cc1cccc(n1)[*:1] O=C(c1ccc2[nH]c(nc2c1)C(F)(F)F)N(Cc1ccccc1)C[*:1]
Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)n1 c1ccc(cc1)[*:1] Cc1cccc(CN(C[*:1])C(=O)c2ccc3[nH]c(nc3c2)C(F)(F)F)n1
Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)n1 Cc1cccc(C[*:1])n1 O=C(c1ccc2[nH]c(nc2c1)C(F)(F)F)N(Cc1ccccc1)[*:1]
Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)n1 FC(F)(F)[*:1] Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccc3[nH]c(nc3c2)[*:1])n1
Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)n1 c1ccc(cc1)C[*:1] Cc1cccc(CN(C(=O)c2ccc3[nH]c(nc3c2)C(F)(F)F)[*:1])n1
Fc1ccccc1COC1CCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] Fc1ccccc1COC1CCN(CC1)[*:1]
Fc1ccccc1COC1CCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] Fc1ccccc1COC1CCN(CC1)C[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)CNC(=O)c2ccoc2C)c1 Cc1cccc(c1)O[*:1] Cc1occc1C(=O)NCC(=O)N[C@H](C)C[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)CNC(=O)c2ccoc2C)c1 Cc1cccc(c1)[*:1] Cc1occc1C(=O)NCC(=O)N[C@H](C)CO[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)CNC(=O)c2ccoc2C)c1 Cc1occc1[*:1] Cc1cccc(c1)OC[C@@H](C)NC(=O)CNC(=O)[*:1]
CN(CC(F)(F)F)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 CN(CC(F)(F)F)C(=O)[*:1] c1ccc(cc1)-c1nnc(SC[*:1])c2ccccc12
CN(CC(F)(F)F)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 c1ccc(cc1)[*:1] CN(CC(F)(F)F)C(=O)CSc1nnc(c2ccccc12)[*:1]
CN(CC(F)(F)F)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 FC(F)(F)C[*:1] CN(C(=O)CSc1nnc(-c2ccccc2)c2ccccc12)[*:1]
CN(CC(F)(F)F)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 FC(F)(F)[*:1] CN(C[*:1])C(=O)CSc1nnc(-c2ccccc2)c2ccccc12
CCN(CC)C(=O)c1cn(C[C@H]2CCCN(C(=O)/C=C\c3cccc(F)c3)C2)nn1 Fc1cccc(c1)[*:1] CCN(CC)C(=O)c1cn(C[C@H]2CCCN(C2)C(=O)C=C[*:1])nn1
CCN(CC)C(=O)c1cn(C[C@H]2CCCN(C(=O)/C=C\c3cccc(F)c3)C2)nn1 CCN(CC)C(=O)[*:1] O=C(/C=C\c1cccc(F)c1)N1CCC[C@@H](C1)Cn1cc(nn1)[*:1]
CCN(CC)C(=O)c1cn(C[C@H]2CCCN(C(=O)/C=C\c3cccc(F)c3)C2)nn1 Fc1cccc(C=C[*:1])c1 CCN(CC)C(=O)c1cn(C[C@H]2CCCN(C2)C(=O)[*:1])nn1
CCn1cc(C(=O)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cn1 c1cc2OCCc2cc1[*:1] CCn1cc(cn1)C(=O)C(=O)Nc1cccc(c1)[*:1]
CCn1cc(C(=O)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cn1 CCn1cc(cn1)[*:1] O=C(Nc1cccc(c1)-c1ccc2OCCc2c1)C(=O)[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)Nc1cccnc1-n1cncn1 c1ncn(n1)[*:1] CCC[C@H](Cc1ccccc1)NC(=O)Nc1cccnc1[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)Nc1cccnc1-n1cncn1 c1ccc(cc1)[*:1] CCC[C@H](C[*:1])NC(=O)Nc1cccnc1-n1cncn1
CCC[C@H](Cc1ccccc1)NC(=O)Nc1cccnc1-n1cncn1 CCC[*:1] O=C(Nc1cccnc1-n1cncn1)N[C@@H](Cc1ccccc1)[*:1]
CCC[C@H](Cc1ccccc1)NC(=O)Nc1cccnc1-n1cncn1 c1ccc(cc1)C[*:1] CCC[C@H](NC(=O)Nc1cccnc1-n1cncn1)[*:1]
CCOc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)ccc1OC CCO[*:1] COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 Cc1[nH]c(=O)[nH]c(=O)c1[*:1] O=C(NCc1ccccc1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 c1ccc(cc1)C[*:1] Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
Nc1ccc2c(NCCS(=O)(=O)c3ccccc3)ncnc2n1 c1ccc(cc1)[*:1] Nc1ccc2c(ncnc2n1)NCCS(=O)(=O)[*:1]
O=C1C[C@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@@H](c1ccco1)N(C(=O)C(F)(F)F)c1ccccc1N2 O=[N+]([O-])c1cccc(c1)[*:1] O=C1C[C@H](CC2Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H](C=21)c1ccco1)[*:1]
O=C1C[C@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@@H](c1ccco1)N(C(=O)C(F)(F)F)c1ccccc1N2 O=[N+]([O-])[*:1] O=C1C[C@@H](CC2Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H](C=21)c1ccco1)c1cccc(c1)[*:1]
O=C1C[C@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@@H](c1ccco1)N(C(=O)C(F)(F)F)c1ccccc1N2 FC(F)(F)[*:1] O=C1C[C@@H](CC2Nc3ccccc3N(C(=O)[*:1])[C@@H](C=21)c1ccco1)c1cccc(c1)[N+](=O)[O-]
O=C1C[C@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@@H](c1ccco1)N(C(=O)C(F)(F)F)c1ccccc1N2 c1coc(c1)[*:1] O=C1C[C@@H](CC2Nc3ccccc3N(C(=O)C(F)(F)F)[C@H](C=21)[*:1])c1cccc(c1)[N+](=O)[O-]
CC1CCC(NC(=O)Cc2csc(-c3ccccn3)n2)CC1 c1ccc(nc1)[*:1] CC1CCC(CC1)NC(=O)Cc1csc(n1)[*:1]
CC1CCC(NC(=O)Cc2csc(-c3ccccn3)n2)CC1 CC1CCC(CC1)[*:1] O=C(Cc1csc(n1)-c1ccccn1)N[*:1]
CCOc1ccc(N(C(=O)c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)cc1 Cc1ccc(cc1C)[*:1] CCOc1ccc(cc1)N(C(=O)[*:1])[C@H]1C=CS(=O)(=O)C1
CCOc1ccc(N(C(=O)c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)cc1 CCO[*:1] Cc1ccc(cc1C)C(=O)N(c1ccc(cc1)[*:1])[C@H]1C=CS(=O)(=O)C1
CCOc1ccc(N(C(=O)c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)N([C@H]1C=CS(=O)(=O)C1)[*:1]
COc1ccc(C)cc1NC(=O)Cc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(C)cc1NC(=O)Cc1ccc(cc1)[*:1]
COC(=O)Nc1cccc(NC(=O)Nc2cccc(C)c2Cl)c1 COC(=O)N[*:1] Cc1cccc(NC(=O)Nc2cccc(c2)[*:1])c1Cl
COc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC Clc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)N1CCN(CC1)C[*:1]
COc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC Clc1ccc(cc1)C[*:1] COc1ccc(cc1OC)C(=O)N1CCN(CC1)[*:1]
O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCCCCC1
O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCO2 O=C(N1CCCCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2OCOc2c1
O=C([O-])c1cn(C2C[NH+](Cc3cc(F)ccc3F)C2)nn1 O=C([O-])[*:1] Fc1ccc(F)c(c1)C[NH+]1CC(C1)n1cc(nn1)[*:1]
CC(C)C[C@@H](C)[NH2+]CC(=O)NCCC#N CC(C)C[*:1] C[C@@H]([NH2+]CC(=O)NCCC#N)[*:1]
CC(C)C[C@@H](C)[NH2+]CC(=O)NCCC#N N#CCC[*:1] CC(C)C[C@@H](C)[NH2+]CC(=O)N[*:1]
CC(C)C[C@@H](C)[NH2+]CC(=O)NCCC#N N#CC[*:1] CC(C)C[C@@H](C)[NH2+]CC(=O)NC[*:1]
CC(C)C[C@@H](C)[NH2+]CC(=O)NCCC#N CC(C)[*:1] C[C@H](C[*:1])[NH2+]CC(=O)NCCC#N
CC(C)c1cc(N2CC[C@H](NS(C)(=O)=O)C2)nc(C(C)C)[nH+]1 CS(=O)(=O)N[*:1] CC(C)c1cc(nc([nH+]1)C(C)C)N1CC[C@H](C1)[*:1]
CC(C)c1cc(N2CC[C@H](NS(C)(=O)=O)C2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1nc(cc([nH+]1)[*:1])N1CC[C@@H](C1)NS(C)(=O)=O
CC(C)c1cc(N2CC[C@H](NS(C)(=O)=O)C2)nc(C(C)C)[nH+]1 CC(C)[*:1] CC(C)c1cc(nc([nH+]1)[*:1])N1CC[C@@H](C1)NS(C)(=O)=O
O=c1oc(-c2ccccc2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] O=c1oc(nnc1[*:1])-c1ccccc1
O=c1oc(-c2ccccc2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] O=c1oc(nnc1-c1ccccc1)[*:1]
CC(C)c1cc(CNC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)on1 C1CC1[*:1] CC(C)c1cc(CNC(=O)C(=O)Nc2ccc3nc(oc3c2)[*:1])on1
CC(C)c1cc(CNC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)on1 CC(C)c1cc(C[*:1])on1 O=C(Nc1ccc2nc(oc2c1)C1CC1)C(=O)N[*:1]
CC(C)c1cc(CNC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)on1 CC(C)[*:1] O=C(NCc1cc(no1)[*:1])C(=O)Nc1ccc2nc(oc2c1)C1CC1
CC(C)c1cc(CNC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)on1 CC(C)c1cc(on1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2nc(oc2c1)C1CC1
COC(=O)COc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1 COC(=O)CO[*:1] Cn1cc(/C=C/C(=O)c2ccc(cc2)[*:1])cn1
COC(=O)COc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1 COC(=O)[*:1] Cn1cc(/C=C/C(=O)c2ccc(cc2)OC[*:1])cn1
COC(=O)COc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] COC(=O)COc1ccc(cc1)C(=O)C=C[*:1]
COC(=O)COc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1 COC(=O)C[*:1] Cn1cc(/C=C/C(=O)c2ccc(cc2)O[*:1])cn1
Cc1ccc(NC(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)nc1 Fc1ccc(cc1Cl)[*:1] Cc1ccc(nc1)NC(=O)c1ccn(CO[*:1])n1
Cc1ccc(NC(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])c1ccn(COc2ccc(F)c(Cl)c2)n1
CCN1C[C@H](C(=O)NCCCSc2ccc(Cl)cc2)CC1=O Clc1ccc(cc1)[*:1] CCN1C[C@@H](CC1=O)C(=O)NCCCS[*:1]
C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(C(N)=O)cc1 C1CCC(CC1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1ccc(cc1)C(N)=O
C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(cc1)[*:1]
O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)c1cccnc1SC(F)F FC(F)[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)c1cccnc1S[*:1]
O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)c1cccnc1SC(F)F FC(F)S[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)c1cccnc1[*:1]
C[C@@](NC(=O)[C@H]1COc2ccccc21)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@@](NC(=O)[C@H]1COc2ccccc21)(C(F)(F)F)[*:1]
C[C@@](NC(=O)[C@H]1COc2ccccc21)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@](NC(=O)[C@H]1COc2ccccc21)(C(=O)[O-])[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cccc1C(=O)[O-] O=C([O-])[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cccc1[*:1]
CS(=O)(=O)c1cccc(NCC[C@@H]2CCCO2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CS(=O)(=O)c1cccc(NCC[C@@H]2CCCO2)c1[*:1]
CS(=O)(=O)c1cccc(NCC[C@@H]2CCCO2)c1[N+](=O)[O-] CS(=O)(=O)[*:1] O=[N+]([O-])c1c(cccc1[*:1])NCC[C@@H]1CCCO1
CS(=O)(=O)c1cccc(NCC[C@@H]2CCCO2)c1[N+](=O)[O-] C1CO[C@@H](C1)[*:1] CS(=O)(=O)c1cccc(NCC[*:1])c1[N+](=O)[O-]
CS(=O)(=O)c1cccc(NCC[C@@H]2CCCO2)c1[N+](=O)[O-] C1CO[C@@H](C1)CC[*:1] CS(=O)(=O)c1cccc(N[*:1])c1[N+](=O)[O-]
CS(=O)(=O)c1cccc(NCC[C@@H]2CCCO2)c1[N+](=O)[O-] C1CO[C@@H](C1)C[*:1] CS(=O)(=O)c1cccc(NC[*:1])c1[N+](=O)[O-]
CCCNC(=O)c1oc2ccccc2c1COc1ccccc1 c1ccc(cc1)O[*:1] CCCNC(=O)c1oc2ccccc2c1C[*:1]
CCCNC(=O)c1oc2ccccc2c1COc1ccccc1 CCC[*:1] O=C(N[*:1])c1oc2ccccc2c1COc1ccccc1
CCCNC(=O)c1oc2ccccc2c1COc1ccccc1 CCCNC(=O)[*:1] c1ccc(cc1)OCc1c(oc2ccccc12)[*:1]
CCCNC(=O)c1oc2ccccc2c1COc1ccccc1 c1ccc(cc1)[*:1] CCCNC(=O)c1oc2ccccc2c1CO[*:1]
Cn1nccc1CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O Cn1nccc1[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(Cl)cc1Cl
Cn1nccc1CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O Cn1nccc1C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(Cl)cc1Cl
O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccccc1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(Cc1csc2nc(cn12)-c1ccccc1)Nc1ccccc1C[*:1]
O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccccc1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(Cc1csc2nc(cn12)-c1ccccc1)Nc1ccccc1[*:1]
O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccccc1CN1CCOCC1 c1ccc(cc1)[*:1] O=C(Cc1csc2nc(cn12)[*:1])Nc1ccccc1CN1CCOCC1
Nc1ncc(CN(Cc2ccccn2)Cc2ccco2)cn1 c1ccc(C[*:1])nc1 Nc1ncc(cn1)CN(Cc1ccco1)[*:1]
Nc1ncc(CN(Cc2ccccn2)Cc2ccco2)cn1 Nc1ncc(cn1)[*:1] c1ccc(CN(Cc2ccco2)C[*:1])nc1
Nc1ncc(CN(Cc2ccccn2)Cc2ccco2)cn1 c1coc(c1)C[*:1] Nc1ncc(cn1)CN(Cc1ccccn1)[*:1]
Nc1ncc(CN(Cc2ccccn2)Cc2ccco2)cn1 c1ccc(nc1)[*:1] Nc1ncc(cn1)CN(Cc1ccco1)C[*:1]
Nc1ncc(CN(Cc2ccccn2)Cc2ccco2)cn1 c1coc(c1)[*:1] Nc1ncc(cn1)CN(Cc1ccccn1)C[*:1]
O=C(c1ccc(CSc2ncn[nH]2)o1)N(Cc1ccsc1)C1CC1 c1cc(cs1)[*:1] O=C(c1ccc(CSc2ncn[nH]2)o1)N(C[*:1])C1CC1
O=C(c1ccc(CSc2ncn[nH]2)o1)N(Cc1ccsc1)C1CC1 c1n[nH]c(n1)SC[*:1] O=C(c1ccc(o1)[*:1])N(Cc1ccsc1)C1CC1
O=C(c1ccc(CSc2ncn[nH]2)o1)N(Cc1ccsc1)C1CC1 c1cc(cs1)C[*:1] O=C(c1ccc(CSc2ncn[nH]2)o1)N(C1CC1)[*:1]
O=C(c1ccc(CSc2ncn[nH]2)o1)N(Cc1ccsc1)C1CC1 c1n[nH]c(n1)S[*:1] O=C(c1ccc(C[*:1])o1)N(Cc1ccsc1)C1CC1
O=C(c1ccc(CSc2ncn[nH]2)o1)N(Cc1ccsc1)C1CC1 c1n[nH]c(n1)[*:1] O=C(c1ccc(CS[*:1])o1)N(Cc1ccsc1)C1CC1
O=C(c1ccc(CSc2ncn[nH]2)o1)N(Cc1ccsc1)C1CC1 C1CC1[*:1] O=C(c1ccc(CSc2ncn[nH]2)o1)N(Cc1ccsc1)[*:1]
C[C@@H]([NH2+][C@H](CO)c1ccccc1F)c1ccsc1 c1cc(cs1)[*:1] C[C@@H]([NH2+][C@H](CO)c1ccccc1F)[*:1]
Cn1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1=O FC(F)(F)O[*:1] Cn1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2[*:1])c1=O
Cn1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1=O Cn1cccc(c1=O)[*:1] O=C(N[*:1])[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F
Cn1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1=O FC(F)(F)[*:1] Cn1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2O[*:1])c1=O
CO[C@H](CNCc1cccc(C#N)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNCc1cccc(C#N)c1)[*:1]
CN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 c1csc(c1)C[*:1] CN1C(=O)C[C@@H](C(=O)N(C)[*:1])[C@H]1c1ccc(F)cc1
CN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 c1csc(c1)[*:1] CN(C[*:1])C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1
CN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1[*:1]
Clc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)o1 Clc1ccc(o1)[*:1] C1C[C@H](CN(C1)C[*:1])[NH+]1CCCC1
FC(F)(F)c1ccnc(N2CCN(c3ncccc3Cl)CC2)c1 FC(F)(F)[*:1] Clc1cccnc1N1CCN(CC1)c1cc(ccn1)[*:1]
FC(F)(F)c1ccnc(N2CCN(c3ncccc3Cl)CC2)c1 Clc1cccnc1[*:1] FC(F)(F)c1ccnc(c1)N1CCN(CC1)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(C)(C)C)nc1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1ccc(nc1)NNC(C)(C)C)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(C)(C)C)nc1 CC(C)(C)[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc(nc1)NN[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(C)(C)C)nc1 CC(C)(C)NN[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc(nc1)[*:1]
CC[C@H](NC(=O)CNC(=O)C(C)(C)C)c1cc(F)ccc1F CC(C)(C)[*:1] CC[C@H](NC(=O)CNC(=O)[*:1])c1cc(F)ccc1F
CC[C@H](NC(=O)CNC(=O)C(C)(C)C)c1cc(F)ccc1F CC(C)(C)C(=O)N[*:1] CC[C@H](NC(=O)C[*:1])c1cc(F)ccc1F
CC(C)=CCn1c(C(=O)NCC(C)C)cc2scc(Br)c21 CC(C)CNC(=O)[*:1] CC(C)=CCn1c(cc2scc(Br)c21)[*:1]
CC(C)=CCn1c(C(=O)NCC(C)C)cc2scc(Br)c21 CC(C)=CC[*:1] CC(C)CNC(=O)c1cc2scc(Br)c2n1[*:1]
CC(C)=CCn1c(C(=O)NCC(C)C)cc2scc(Br)c21 CC(C)[*:1] CC(C)=CCn1c(cc2scc(Br)c21)C(=O)NC[*:1]
CC(C)=CCn1c(C(=O)NCC(C)C)cc2scc(Br)c21 CC(C)C[*:1] CC(C)=CCn1c(cc2scc(Br)c21)C(=O)N[*:1]
CC(C)=CCn1c(C(=O)NCC(C)C)cc2scc(Br)c21 CC(C)=C[*:1] CC(C)CNC(=O)c1cc2scc(Br)c2n1C[*:1]
C[C@@H](CNC(=O)Nc1cc(C#N)ccc1Cl)c1ccsc1 C[C@@H](c1ccsc1)[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NC[*:1]
C[C@@H](CNC(=O)Nc1cc(C#N)ccc1Cl)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)Nc1cc(C#N)ccc1Cl)[*:1]
O=C(OCc1ccccc1)[C@H]1CCCN1CC[NH+]1CCCCC1 c1ccc(cc1)[*:1] O=C(OC[*:1])[C@H]1CCCN1CC[NH+]1CCCCC1
O=C(OCc1ccccc1)[C@H]1CCCN1CC[NH+]1CCCCC1 c1ccc(cc1)C[*:1] O=C(O[*:1])[C@H]1CCCN1CC[NH+]1CCCCC1
Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)c1 Fc1cccc(c1)[*:1] Cc1cc(C)cc(c1)NC(=O)N1CCC(CC1)NC(=O)[*:1]
Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NC1CCN(CC1)C(=O)N[*:1])c1cccc(F)c1
CCS(=O)(=O)c1ccc(N2CCC(N[C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 Fc1ccc(cc1)[*:1] CCS(=O)(=O)c1ccc(cc1)N1CCC(CC1)N[C@H]1CC(=O)N(C1=O)[*:1]
CCS(=O)(=O)c1ccc(N2CCC(N[C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 CCS(=O)(=O)[*:1] O=C1C[C@H](NC2CCN(CC2)c2ccc(cc2)[*:1])C(=O)N1c1ccc(F)cc1
COC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21 COC(=O)[*:1] O=C1COc2ccc(cc2N1C[*:1])S(=O)(=O)N1CCCCC1
COC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21 COC(=O)C[*:1] O=C1COc2ccc(cc2N1[*:1])S(=O)(=O)N1CCCCC1
Cc1ccsc1CN(C)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 Cc1ccsc1C[*:1] C[C@@H](NC(=O)N(C)[*:1])c1ccc(cc1)NC(=O)C1CC1
Cc1ccsc1CN(C)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 Cc1ccsc1CN(C)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1ccsc1CN(C)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 Cc1ccsc1[*:1] C[C@@H](NC(=O)N(C)C[*:1])c1ccc(cc1)NC(=O)C1CC1
Cc1ccsc1CN(C)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] Cc1ccsc1CN(C)C(=O)N[C@H](C)c1ccc(cc1)NC(=O)[*:1]
O=C(N1CCc2ccc([N+](=O)[O-])cc21)C1(c2ccc(Cl)cc2)CCOCC1 O=[N+]([O-])[*:1] O=C(N1CCc2ccc(cc21)[*:1])C1(CCOCC1)c1ccc(Cl)cc1
O=C(N1CCc2ccc([N+](=O)[O-])cc21)C1(c2ccc(Cl)cc2)CCOCC1 Clc1ccc(cc1)[*:1] O=C(N1CCc2ccc(cc21)[N+](=O)[O-])C1(CCOCC1)[*:1]
O=C(C[C@H]1C=CCC1)N[C@@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1[*:1] O=C(C[C@H]1C=CCC1)N[C@@H](C[*:1])c1ccccc1
O=C(C[C@H]1C=CCC1)N[C@@H](CN1CCCC1=O)c1ccccc1 O=C1CCCN1C[*:1] O=C(C[C@H]1C=CCC1)N[C@@H](c1ccccc1)[*:1]
O=C(C[C@H]1C=CCC1)N[C@@H](CN1CCCC1=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H]1C=CCC1)N[C@@H](CN1CCCC1=O)[*:1]
CC(C)[C@H](NC(=O)[C@H](C)Oc1cccc(F)c1)C(=O)N1CCOCC1 Fc1cccc(c1)O[*:1] CC(C)[C@H](NC(=O)[C@H](C)[*:1])C(=O)N1CCOCC1
CC(C)[C@H](NC(=O)[C@H](C)Oc1cccc(F)c1)C(=O)N1CCOCC1 CC(C)[*:1] C[C@H](Oc1cccc(F)c1)C(=O)N[C@H](C(=O)N1CCOCC1)[*:1]
CC(C)[C@H](NC(=O)[C@H](C)Oc1cccc(F)c1)C(=O)N1CCOCC1 Fc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)[C@H](C)O[*:1])C(=O)N1CCOCC1
CC(C)[C@H](NC(=O)[C@H](C)Oc1cccc(F)c1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@H](NC(=O)[C@H](C)Oc1cccc(F)c1)[*:1]
CCN(C(=O)NCc1ccc(OCc2ccccn2)cc1)C1CCCCC1 c1ccc(C[*:1])nc1 CCN(C(=O)NCc1ccc(cc1)O[*:1])C1CCCCC1
CCN(C(=O)NCc1ccc(OCc2ccccn2)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CCN(C(=O)NCc1ccc(cc1)OCc1ccccn1)[*:1]
CCN(C(=O)NCc1ccc(OCc2ccccn2)cc1)C1CCCCC1 c1ccc(CO[*:1])nc1 CCN(C(=O)NCc1ccc(cc1)[*:1])C1CCCCC1
CCN(C(=O)NCc1ccc(OCc2ccccn2)cc1)C1CCCCC1 c1ccc(nc1)[*:1] CCN(C(=O)NCc1ccc(cc1)OC[*:1])C1CCCCC1
Cc1ccc(S(=O)(=O)N(C)c2cccc(C)c2C)cc1C(=O)[O-] O=C([O-])[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N(C)c1cccc(C)c1C
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@H](C)c1cccc(c1)O[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc1 Cc1ccc(cc1)[*:1] CC(C)Oc1cccc(c1)[C@@H](C)NC(=O)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc1 CC(C)O[*:1] Cc1ccc(cc1)NC(=O)C(=O)N[C@H](C)c1cccc(c1)[*:1]
COc1ncccc1-c1cc(=O)[nH]c(NC2CC[NH+](Cc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] COc1ncccc1-c1cc(=O)[nH]c(n1)NC1CC[NH+](CC1)C[*:1]
COc1ncccc1-c1cc(=O)[nH]c(NC2CC[NH+](Cc3ccccc3)CC2)n1 COc1ncccc1[*:1] O=c1cc(nc(NC2CC[NH+](CC2)Cc2ccccc2)[nH]1)[*:1]
COc1ncccc1-c1cc(=O)[nH]c(NC2CC[NH+](Cc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] COc1ncccc1-c1cc(=O)[nH]c(n1)NC1CC[NH+](CC1)[*:1]
C[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c2ccccc21 C1CC1[*:1] C[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(C2)[*:1])c2ccccc21
CC[C@](O)(C(=O)[O-])[C@@H](C)c1ccc2c(c1)OCCO2 O=C([O-])[*:1] CC[C@](O)([C@@H](C)c1ccc2OCCOc2c1)[*:1]
CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)N[*:1]
CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1ccc2c(c1)OCCO2 CN(C)S(=O)(=O)[*:1] O=C(CCCn1nnc2cc(ccc21)[*:1])Nc1ccc2OCCOc2c1
COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)C=C[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 COc1ccccc1[*:1] C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H]1[*:1]
C[C@H](NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccncc1 CC(C)(C)NC(=O)[*:1] C[C@H](NC(=O)Nc1cccc(c1)[*:1])c1ccncc1
C[C@H](NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccncc1 CC(C)(C)[*:1] C[C@H](NC(=O)Nc1cccc(c1)C(=O)N[*:1])c1ccncc1
C[C@H](NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)Nc1cccc(c1)C(=O)NC(C)(C)C)[*:1]
C[C@H](NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccncc1 C[C@H](c1ccncc1)[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)N[*:1]
CN(C)C(=O)CCNC(=O)/C=C/c1ccc(Cl)cc1Cl CN(C)C(=O)[*:1] O=C(/C=C/c1ccc(Cl)cc1Cl)NCC[*:1]
CN(C)C(=O)CCNC(=O)/C=C/c1ccc(Cl)cc1Cl CN(C)C(=O)C[*:1] O=C(/C=C/c1ccc(Cl)cc1Cl)NC[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)[*:1]
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 O=S(=O)(N1CCCCCC1)[*:1] COc1ccc(cc1NC(=O)c1ccc(cc1)[*:1])[N+](=O)[O-]
O=C(CCc1nc2ncccc2[nH]1)NC[C@@H](c1ccco1)N1CCOCC1 c1cnc2nc([nH]c2c1)[*:1] O=C(CC[*:1])NC[C@@H](c1ccco1)N1CCOCC1
O=C(CCc1nc2ncccc2[nH]1)NC[C@@H](c1ccco1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(CCc1nc2ncccc2[nH]1)NC[C@@H](c1ccco1)[*:1]
O=C(CCc1nc2ncccc2[nH]1)NC[C@@H](c1ccco1)N1CCOCC1 c1coc(c1)[*:1] O=C(CCc1nc2ncccc2[nH]1)NC[C@@H](N1CCOCC1)[*:1]
COc1cc(NC(=O)c2ccc(-n3cnc(NC(C)=O)c3)cc2)cc(OC)c1 CC(=O)Nc1cn(cn1)[*:1] COc1cc(cc(c1)OC)NC(=O)c1ccc(cc1)[*:1]
COc1cc(NC(=O)c2ccc(-n3cnc(NC(C)=O)c3)cc2)cc(OC)c1 CC(=O)N[*:1] COc1cc(cc(c1)OC)NC(=O)c1ccc(cc1)-n1cnc(c1)[*:1]
COCC[NH2+]C[C@@H](c1ccccc1)c1ccccc1C COC[*:1] Cc1ccccc1[C@@H](C[NH2+]C[*:1])c1ccccc1
COCC[NH2+]C[C@@H](c1ccccc1)c1ccccc1C c1ccc(cc1)[*:1] COCC[NH2+]C[C@@H](c1ccccc1C)[*:1]
C[C@H](C(=O)Nc1ccn(-c2ncccc2Cl)n1)C1CC1 C[C@H](C1CC1)[*:1] O=C(Nc1ccn(n1)-c1ncccc1Cl)[*:1]
C[C@H](C(=O)Nc1ccn(-c2ncccc2Cl)n1)C1CC1 C1CC1[*:1] C[C@H](C(=O)Nc1ccn(n1)-c1ncccc1Cl)[*:1]
CC[NH+](CC)C(C)(C)[C@H](N)Cc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC[NH+](CC)C(C)(C)[C@H](N)Cc1ccc(cc1)[*:1]
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCC(N)=O NC(=O)CC[*:1] C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[*:1]
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCC(N)=O NC(=O)CCC[*:1] C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[*:1]
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCC(N)=O NC(=O)C[*:1] C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCC[*:1]
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCCC(N)=O NC(=O)[*:1] C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCC[*:1]
C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)c1ccccc1 c1ccc(cc1)N[*:1] C[C@@H](NC(=O)c1csc(n1)[*:1])c1ccccc1
C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1csc(n1)N[*:1])c1ccccc1
C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1csc(n1)Nc1ccccc1)[*:1]
O=C(NN=C1CCCCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NN=C1CCCCC1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(C)OCCS(=O)(=O)NCc1ccccc1N CC(C)OC[*:1] Nc1ccccc1CNS(=O)(=O)C[*:1]
CC(C)OCCS(=O)(=O)NCc1ccccc1N CC(C)O[*:1] Nc1ccccc1CNS(=O)(=O)CC[*:1]
CC(C)OCCS(=O)(=O)NCc1ccccc1N CC(C)OCC[*:1] Nc1ccccc1CNS(=O)(=O)[*:1]
CC(C)OCCS(=O)(=O)NCc1ccccc1N CC(C)[*:1] Nc1ccccc1CNS(=O)(=O)CCO[*:1]
COCc1cccc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1 CC(C)(C)[*:1] COCc1cccc(c1)NC(=O)[C@@H](C)NC(=O)[*:1]
COCc1cccc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1 CC(C)(C)C(=O)N[*:1] COCc1cccc(c1)NC(=O)[C@@H](C)[*:1]
COCc1cccc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1 COC[*:1] C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1cccc(c1)[*:1]
O=C(C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1)N1CCCCCC1 O=C1CCCN1[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1])N1CCCCCC1
O=C(C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
[NH3+]CCN1CCCN(C(=O)c2ccc3c(c2)CCC3)CC1 [NH3+]CC[*:1] O=C(c1ccc2CCCc2c1)N1CCCN(CC1)[*:1]
CC[C@](C)([C@@H](O)Cc1nc(C(C)(C)C)cs1)[NH+](C)C CC(C)(C)[*:1] CC[C@](C)([C@@H](O)Cc1nc(cs1)[*:1])[NH+](C)C
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(F)c(F)c1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1NC(=O)COc1ccc(F)c(F)c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] Cc1nn(-c2ccccc2)c(C)c1NC(=O)CO[*:1]
Cc1nc(CC(C)C)sc1C(=O)NC[C@](C)(O)c1ccsc1 CC(C)[*:1] Cc1nc(C[*:1])sc1C(=O)NC[C@](C)(O)c1ccsc1
Cc1nc(CC(C)C)sc1C(=O)NC[C@](C)(O)c1ccsc1 c1cc(cs1)[*:1] Cc1nc(CC(C)C)sc1C(=O)NC[C@](C)(O)[*:1]
Cc1nc(CC(C)C)sc1C(=O)NC[C@](C)(O)c1ccsc1 CC(C)C[*:1] Cc1nc(sc1C(=O)NC[C@](C)(O)c1ccsc1)[*:1]
CC(=O)c1ccc(OC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(O[*:1])c1ccccc1OCc1cn2ccccc2n1
CC(=O)c1ccc(OC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 c1ccn2cc(nc2c1)[*:1] CC(=O)c1ccc(cc1)OC(=O)c1ccccc1OC[*:1]
CC(=O)c1ccc(OC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 CC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccccc1OCc1cn2ccccc2n1
Cc1ccc(-n2nc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c2C)cc1 Cc1ccc(Cl)cc1[*:1] Cc1ccc(cc1)-n1nc(C)c(c1C)S(=O)(=O)[N-][*:1]
Cc1ccc(-n2nc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)nn(c1C)[*:1]
Cc1ccc(OCCn2c3ccccc3n3c(=O)c(-c4ccccc4)nnc23)cc1 Cc1ccc(cc1)OCC[*:1] O=c1c(nnc2n(c3ccccc3n12)[*:1])-c1ccccc1
Cc1ccc(OCCn2c3ccccc3n3c(=O)c(-c4ccccc4)nnc23)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)OCCn1c2ccccc2n2c(=O)c(nnc12)[*:1]
Cc1ccc(OCCn2c3ccccc3n3c(=O)c(-c4ccccc4)nnc23)cc1 Cc1ccc(cc1)OC[*:1] O=c1c(nnc2n(C[*:1])c3ccccc3n12)-c1ccccc1
Cc1ccc(OCCn2c3ccccc3n3c(=O)c(-c4ccccc4)nnc23)cc1 Cc1ccc(cc1)[*:1] O=c1c(nnc2n(CCO[*:1])c3ccccc3n12)-c1ccccc1
Cc1ccc(OCCn2c3ccccc3n3c(=O)c(-c4ccccc4)nnc23)cc1 Cc1ccc(cc1)O[*:1] O=c1c(nnc2n(CC[*:1])c3ccccc3n12)-c1ccccc1
O=C(Cn1ncc(Cl)c(Cl)c1=O)NCCOc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cn1ncc(Cl)c(Cl)c1=O)NCCO[*:1]
CC[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC1 O=C([O-])[*:1] CC[NH+]1CCN(CC1)[C@@H]1CC(=O)N(C1=O)c1ccc(cc1)[*:1]
CCOC(=O)c1ncsc1-c1ccc(F)cc1 CCOC(=O)[*:1] Fc1ccc(cc1)-c1scnc1[*:1]
CCOc1ccc2ccccc2c1C(=O)Nc1ccc(C)c(N2CCCC2=O)c1 O=C1CCCN1[*:1] CCOc1ccc2ccccc2c1C(=O)Nc1ccc(C)c(c1)[*:1]
CCOc1ccc2ccccc2c1C(=O)Nc1ccc(C)c(N2CCCC2=O)c1 CCO[*:1] Cc1ccc(cc1N1CCCC1=O)NC(=O)c1c(ccc2ccccc12)[*:1]
Cc1cc(S(=O)(=O)N(C)C)cc(NCc2nnnn2-c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cc(cc(NCc2nnnn2[*:1])c1C)S(=O)(=O)N(C)C
Cc1cc(S(=O)(=O)N(C)C)cc(NCc2nnnn2-c2ccccc2)c1C CN(C)S(=O)(=O)[*:1] Cc1cc(cc(NCc2nnnn2-c2ccccc2)c1C)[*:1]
Cc1cccc(C(C)C)c1NC(=O)C12CC3CC(CC(C3)C1)C2 CC(C)[*:1] Cc1cccc(c1NC(=O)C12CC3CC(CC(C3)C1)C2)[*:1]
CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br CCOC(=O)[*:1] O=S(=O)(c1ccc(Br)c(c1)[*:1])N1CCOCC1
COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc(C)s1 Cc1ccc(s1)[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)N[*:1]
c1ccc(-n2ccc(CNCCc3cn4c([nH+]3)CCCC4)n2)cc1 c1ccc(cc1)[*:1] c1cn(nc1CNCCc1cn2CCCCc2[nH+]1)[*:1]
C[NH+]1CCC(N2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)CC1 O=C([O-])[*:1] C[NH+]1CCC(CC1)N1CCC(CC1)(Oc1ccc2ccccc2c1)[*:1]
Cc1cc(F)ccc1CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C Cc1cc(F)ccc1[*:1] Cc1nn(CCC(=O)NCC[*:1])c(C)c1[N+](=O)[O-]
Cc1cc(F)ccc1CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cc(F)ccc1CCNC(=O)CCn1nc(C)c(c1C)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)NCc2ccccc2-n2cccn2)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)NCc1ccccc1-n1cccn1)[*:1]
CC(=O)Nc1ccc(C)c(NC(=O)NCc2ccccc2-n2cccn2)c1 c1cnn(c1)[*:1] CC(=O)Nc1ccc(C)c(c1)NC(=O)NCc1ccccc1[*:1]
C[C@H](N1CCN(C(=O)NCCc2nnc3n2CCC3)CC1)C(F)(F)F FC(F)(F)[*:1] C[C@H](N1CCN(CC1)C(=O)NCCc1nnc2CCCn21)[*:1]
C[C@H](N1CCN(C(=O)NCCc2nnc3n2CCC3)CC1)C(F)(F)F C1Cc2nnc(n2C1)[*:1] C[C@H](N1CCN(CC1)C(=O)NCC[*:1])C(F)(F)F
CCc1cc(C(=O)OC)c(NC(=O)c2cc(-c3ccncc3)nc3c(C)cc(C)cc23)s1 c1cc(ccn1)[*:1] CCc1cc(C(=O)OC)c(NC(=O)c2cc(nc3c(C)cc(C)cc23)[*:1])s1
CCc1cc(C(=O)OC)c(NC(=O)c2cc(-c3ccncc3)nc3c(C)cc(C)cc23)s1 COC(=O)[*:1] CCc1cc(c(NC(=O)c2cc(nc3c(C)cc(C)cc23)-c2ccncc2)s1)[*:1]
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2c(-c4ccc(SC)cc4)ccc(=O)n2C3)cc1 CSc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H](C1)c1c(ccc(=O)n1C2)[*:1]
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2c(-c4ccc(SC)cc4)ccc(=O)n2C3)cc1 COc1ccc(cc1)[*:1] CSc1ccc(cc1)-c1ccc(=O)n2C[C@H]3C[C@H](CN(C3)C(=O)[*:1])c12
COc1ccc(C(=O)NCc2csc(=O)[nH]2)cc1-c1ccccn1 c1ccc(nc1)[*:1] COc1ccc(cc1[*:1])C(=O)NCc1csc(=O)[nH]1
COc1ccc(C(=O)NCc2csc(=O)[nH]2)cc1-c1ccccn1 O=c1[nH]c(cs1)C[*:1] COc1ccc(cc1-c1ccccn1)C(=O)N[*:1]
COc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)cn2)ccc1F Brc1cnn(c1)[*:1] COc1cc(ccc1F)[C@H](C)[NH2+][C@@H](C)C[*:1]
COc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)cn2)ccc1F Brc1cnn(c1)C[*:1] COc1cc(ccc1F)[C@H](C)[NH2+][C@@H](C)[*:1]
C[C@@H]1[C@@H]([NH3+])CCN(C[C@@H]2CCOC2)[C@@H]1C C1C[C@H](CO1)[*:1] C[C@@H]1[C@@H]([NH3+])CCN(C[*:1])[C@@H]1C
CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)c1 CC(=O)N[*:1] C[C@@H](OC(=O)c1cccc(c1)[*:1])C(=O)NC(=O)NC1CC1
CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)c1 C1CC1[*:1] CC(=O)Nc1cccc(c1)C(=O)O[C@H](C)C(=O)NC(=O)N[*:1]
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccc(cc1)[*:1]
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccc(C(F)(F)F)cc1 Cn1cc(cn1)[*:1] C[C@@H](NS(=O)(=O)[*:1])c1ccc(cc1)C(F)(F)F
CCc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C)cc1 c1csc(c1)[*:1] CCc1ccc(cc1)C(=O)CSc1nnc(n1C)[*:1]
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCO)[C@@H]3c1ccc(Br)cc1 OCCC[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N([C@@H]3c1ccc(Br)cc1)[*:1]
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCO)[C@@H]3c1ccc(Br)cc1 OCC[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(C[*:1])[C@@H]3c1ccc(Br)cc1
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCO)[C@@H]3c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCO)[C@H]3[*:1]
C[C@@](O)(CNC(=O)CCc1nncn1-c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)CCc1nncn1-c1ccccc1)[*:1]
C[C@@](O)(CNC(=O)CCc1nncn1-c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)CCc1nncn1[*:1])c1ccc(F)cc1
C[NH2+]CC(=O)N1CC[C@@H](c2nc(C)cc(Nc3ncccc3C)n2)C1 Cc1cccnc1[*:1] C[NH2+]CC(=O)N1CC[C@H](C1)c1nc(C)cc(n1)N[*:1]
C[NH2+]CC(=O)N1CC[C@@H](c2nc(C)cc(Nc3ncccc3C)n2)C1 Cc1cccnc1N[*:1] C[NH2+]CC(=O)N1CC[C@H](C1)c1nc(C)cc(n1)[*:1]
NC(=O)c1c(F)cc(Br)cc1NCCOc1ncccc1Cl NC(=O)[*:1] Fc1cc(Br)cc(NCCOc2ncccc2Cl)c1[*:1]
NC(=O)c1c(F)cc(Br)cc1NCCOc1ncccc1Cl Clc1cccnc1[*:1] NC(=O)c1c(F)cc(Br)cc1NCCO[*:1]
CC1(C)COCCN1[C@H]1CC[C@](NC2CC2)(C(N)=O)C1 NC(=O)[*:1] CC1(C)COCCN1[C@H]1CC[C@@](C1)(NC1CC1)[*:1]
CC1(C)COCCN1[C@H]1CC[C@](NC2CC2)(C(N)=O)C1 C1CC1N[*:1] CC1(C)COCCN1[C@H]1CC[C@@](C1)(C(N)=O)[*:1]
CC1(C)COCCN1[C@H]1CC[C@](NC2CC2)(C(N)=O)C1 C1CC1[*:1] CC1(C)COCCN1[C@H]1CC[C@](C1)(N[*:1])C(N)=O
C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 C=CC[*:1] O=C(C[NH+]1CCC(CC1)C(=O)N1CCCCCC1)NC(=O)N[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cnn(c1)C[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cnn(c1)[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 COc1ccccc1[*:1] O=C(Nc1cnn(c1)C[C@H]1CCCO1)N1CCC[C@H]1[*:1]
C/C([O-])=C1\C(=O)C[C@H](c2ccccc2)S\C1=N/c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C/C([O-])=C1\C(=O)C[C@H](S\C1=N/c1ccc(Cl)cc1)[*:1]
C/C([O-])=C1\C(=O)C[C@H](c2ccccc2)S\C1=N/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C/C([O-])=C1\C(=O)C[C@@H](SC1=N[*:1])c1ccccc1
C[C@@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)Oc1ccc(F)cc1 O=C(N[*:1])C1CC1 C[C@@H](CNC(=O)c1cccc(c1)[*:1])Oc1ccc(F)cc1
C[C@@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1cccc(c1)NC(=O)C1CC1)O[*:1]
C[C@@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)Oc1ccc(F)cc1 C1CC1[*:1] C[C@@H](CNC(=O)c1cccc(c1)NC(=O)[*:1])Oc1ccc(F)cc1
C[C@@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C[C@@H](CNC(=O)c1cccc(c1)NC(=O)C1CC1)[*:1]
Cc1noc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)n1 Cc1noc(n1)[*:1] c1ccc2sc(nc2c1)C1CC[NH+](CC1)C[*:1]
Cc1noc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)n1 Cc1noc(C[*:1])n1 c1ccc2sc(nc2c1)C1CC[NH+](CC1)[*:1]
NNC(=O)c1ccc(C[NH+]2CCC(C(F)(F)F)CC2)nc1 NNC(=O)[*:1] FC(F)(F)C1CC[NH+](CC1)Cc1ccc(cn1)[*:1]
NNC(=O)c1ccc(C[NH+]2CCC(C(F)(F)F)CC2)nc1 FC(F)(F)[*:1] NNC(=O)c1ccc(C[NH+]2CCC(CC2)[*:1])nc1
C[S@@](=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CCO)C2)cc1F OCC[*:1] C[S@@](=O)c1ccc(cc1F)NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
C[S@@](=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CCO)C2)cc1F C[S@@](=O)[*:1] O=C(Nc1ccc(c(F)c1)[*:1])C(=O)N1CCC[C@H](CCO)C1
Cc1[nH]c(=O)nc(SCC(=O)Nc2ccccc2C(C)C)c1C#N CC(C)[*:1] Cc1[nH]c(=O)nc(SCC(=O)Nc2ccccc2[*:1])c1C#N
COc1cccc(C(=O)NNC(=O)c2cnccn2)c1 c1cnc(cn1)[*:1] COc1cccc(c1)C(=O)NNC(=O)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccccc1Cl c1ncn(C[*:1])n1 CC(C)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1Cl
CC(C)[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccccc1Cl c1ncn(n1)[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)C[*:1])c1ccccc1Cl
CC(C)[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccccc1Cl CC(C)[*:1] Clc1ccccc1[C@H]([NH2+]Cc1ccc(cc1)Cn1cncn1)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)Cn1cncn1)[*:1]
COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)c(OC)c1 COc1ccc(c(c1)OC)[*:1] CC(C)(C)[C@@H]1CCc2c(C1)sc1nnn(CC(=O)N[*:1])c(=O)c21
COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)c(OC)c1 CC(C)(C)[*:1] COc1ccc(NC(=O)Cn2nnc3sc4C[C@H](CCc4c3c2=O)[*:1])c(c1)OC
C=CCn1c(/C=C/c2ccccc2OC)nc2ccccc21 C=CC[*:1] COc1ccccc1/C=C/c1nc2ccccc2n1[*:1]
COC(=O)C1=C(N)OC2=CC(C)=NC(=O)[C@@H]2[C@@H]1c1ccccc1F COC(=O)[*:1] CC1C=C2OC(N)=C([C@@H](c3ccccc3F)[C@H]2C(=O)N=1)[*:1]
COC(=O)C1=C(N)OC2=CC(C)=NC(=O)[C@@H]2[C@@H]1c1ccccc1F Fc1ccccc1[*:1] COC(=O)C1=C(N)OC2=CC(C)=NC(=O)[C@@H]2[C@H]1[*:1]
CC(C)(O)CCc1cccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c1 CC(C)(O)C[*:1] O=C(NCc1nc(n[nH]1)-c1ccncc1)c1cccc(c1)C[*:1]
CC(C)(O)CCc1cccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c1 c1cc(ccn1)[*:1] CC(C)(O)CCc1cccc(c1)C(=O)NCc1nc(n[nH]1)[*:1]
CC(C)(O)CCc1cccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c1 CC(C)(O)[*:1] O=C(NCc1nc(n[nH]1)-c1ccncc1)c1cccc(c1)CC[*:1]
CC(C)(O)CCc1cccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c1 CC(C)(O)CC[*:1] O=C(NCc1nc(n[nH]1)-c1ccncc1)c1cccc(c1)[*:1]
C[C@H](NC(=O)N1CCOCC1)c1ccccc1OCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCOCC1)c1ccccc1OC[*:1]
C[C@H](NC(=O)N1CCOCC1)c1ccccc1OCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N1CCOCC1)c1ccccc1O[*:1]
C[C@H](NC(=O)N1CCOCC1)c1ccccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] C[C@H](NC(=O)N1CCOCC1)c1ccccc1[*:1]
COc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)c(C)cc2c1 Cc1cc(C)cc(c1)[*:1] COc1ccc2nc(SCC(=O)N[*:1])c(C)cc2c1
C=CCNc1ccccc1C(=O)NCC(F)(F)F C=CC[*:1] O=C(NCC(F)(F)F)c1ccccc1N[*:1]
C=CCNc1ccccc1C(=O)NCC(F)(F)F FC(F)(F)C[*:1] C=CCNc1ccccc1C(=O)N[*:1]
C=CCNc1ccccc1C(=O)NCC(F)(F)F C=CCN[*:1] O=C(NCC(F)(F)F)c1ccccc1[*:1]
C=CCNc1ccccc1C(=O)NCC(F)(F)F FC(F)(F)[*:1] C=CCNc1ccccc1C(=O)NC[*:1]
Cc1ccc2c(c1)N[C@@H](C(=O)N1CCN(c3cc(Cl)ccc3C)CC1)NS2(=O)=O Cc1ccc(Cl)cc1[*:1] Cc1ccc2c(c1)N[C@H](NS2(=O)=O)C(=O)N1CCN(CC1)[*:1]
CC(C)c1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1cccc(Cl)c1 c1cnc(nc1)[*:1] CC(C)c1c(cnn1-c1cccc(Cl)c1)C(=O)N1CCN(CC1)[*:1]
CC(C)c1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1cccc(Cl)c1 CC(C)[*:1] O=C(c1cnn(-c2cccc(Cl)c2)c1[*:1])N1CCN(CC1)c1ncccn1
CC(C)c1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)c1c(cnn1[*:1])C(=O)N1CCN(CC1)c1ncccn1
CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)sc2c1 CCO[*:1] C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(CC[NH+](C)C)c1nc2ccc(cc2s1)[*:1]
CC(C)(C)OC(=O)N1[C@H]2CCCC[C@@H]2C[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1[*:1]
CC(C)(C)OC(=O)N1[C@H]2CCCC[C@@H]2C[C@@H]1C(=O)[O-] CC(C)(C)[*:1] O=C([O-])[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)O[*:1]
O=S(=O)(c1cccc2cccnc12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 c1cnc2c(cccc2c1)[*:1] O=S(=O)(N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1)[*:1]
O=S(=O)(c1cccc2cccnc12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(c1cccc2cccnc12)N1CC[NH+](CC1)C(c1ccccc1)[*:1]
CCCc1cc([C@H]2CCC[NH2+]2)no1 CCC[*:1] c1c(noc1[*:1])[C@H]1CCC[NH2+]1
COc1c(F)cc(NC(=O)N[C@H](CCO)CSC)cc1F CSC[*:1] COc1c(F)cc(cc1F)NC(=O)N[C@H](CCO)[*:1]
COc1c(F)cc(NC(=O)N[C@H](CCO)CSC)cc1F OCC[*:1] COc1c(F)cc(cc1F)NC(=O)N[C@H](CSC)[*:1]
CN(C)c1ccc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 CN(C)c1ccc(cc1)[*:1] O=C(N1CCC(CC1)c1noc(n1)-c1ccncc1)[*:1]
CN(C)c1ccc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 c1cc(ccn1)[*:1] CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)c1noc(n1)[*:1]
CN(C)c1ccc(C(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 CN(C)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)c1noc(n1)-c1ccncc1
CC(=O)c1ccc(S(C)(=O)=O)c(NCCc2cccs2)c1 c1csc(c1)[*:1] CC(=O)c1ccc(c(c1)NCC[*:1])S(C)(=O)=O
CC(=O)c1ccc(S(C)(=O)=O)c(NCCc2cccs2)c1 c1csc(c1)C[*:1] CC(=O)c1ccc(c(c1)NC[*:1])S(C)(=O)=O
CC(=O)c1ccc(S(C)(=O)=O)c(NCCc2cccs2)c1 c1csc(c1)CC[*:1] CC(=O)c1ccc(c(c1)N[*:1])S(C)(=O)=O
CC(=O)c1ccc(S(C)(=O)=O)c(NCCc2cccs2)c1 CC(=O)[*:1] CS(=O)(=O)c1ccc(cc1NCCc1cccs1)[*:1]
CC(=O)c1ccc(S(C)(=O)=O)c(NCCc2cccs2)c1 CS(=O)(=O)[*:1] CC(=O)c1ccc(c(c1)NCCc1cccs1)[*:1]
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCC2 Clc1ccc(cc1)[*:1] NC(=O)c1c(NC(=S)NC(=O)C=C[*:1])sc2CCCCc21
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCC2 NC(=O)[*:1] O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1sc2CCCCc2c1[*:1]
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCC2 Clc1ccc(C=C[*:1])cc1 NC(=O)c1c(NC(=S)NC(=O)[*:1])sc2CCCCc21
CC[C@H](C)n1ncc2[nH]c(-c3cnn(C)c3)nc21 CC[C@H](C)[*:1] Cn1cc(cn1)-c1nc2c(cnn2[*:1])[nH]1
CC[C@H](C)n1ncc2[nH]c(-c3cnn(C)c3)nc21 Cn1cc(cn1)[*:1] CC[C@H](C)n1ncc2[nH]c(nc21)[*:1]
CC[C@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 CC[C@H](C)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CC[C@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 CC[C@H](C)NC(=O)[*:1] C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 Clc1ccc(cc1)O[*:1] CC[C@H](C)NC(=O)c1cccc(c1)NC(=O)[C@@H](C)[*:1]
CC[C@H](C)NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1cccc(c1)NC(=O)[C@@H](C)O[*:1]
CC[NH+](CC)CCNC(=O)N1CCN(Cc2cc(C)on2)CC1 Cc1cc(no1)[*:1] CC[NH+](CC)CCNC(=O)N1CCN(CC1)C[*:1]
CC[NH+](CC)CCNC(=O)N1CCN(Cc2cc(C)on2)CC1 Cc1cc(C[*:1])no1 CC[NH+](CC)CCNC(=O)N1CCN(CC1)[*:1]
CCc1ccc(NC(=O)Cn2c(-c3nc(CC)no3)cccc2=O)cc1 CCc1ccc(cc1)[*:1] CCc1noc(n1)-c1cccc(=O)n1CC(=O)N[*:1]
CCc1ccc(NC(=O)Cn2c(-c3nc(CC)no3)cccc2=O)cc1 CCc1noc(n1)[*:1] CCc1ccc(cc1)NC(=O)Cn1c(cccc1=O)[*:1]
CC(=O)Nc1nnc(-c2cccc(SC(C)C)c2)o1 CC(C)S[*:1] CC(=O)Nc1nnc(o1)-c1cccc(c1)[*:1]
CC(=O)Nc1nnc(-c2cccc(SC(C)C)c2)o1 CC(C)[*:1] CC(=O)Nc1nnc(o1)-c1cccc(c1)S[*:1]
CC(=O)Nc1nnc(-c2cccc(SC(C)C)c2)o1 CC(=O)N[*:1] CC(C)Sc1cccc(c1)-c1nnc(o1)[*:1]
COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]1CC2 CC(=O)C=C(C)[*:1] COc1ccc2CC[C@H]3C(=NN([C@@H]3c3ccc(cc3)[N+](=O)[O-])[*:1])c2c1
COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]1CC2 O=[N+]([O-])[*:1] COc1ccc2CC[C@H]3C(=NN(/C(C)=C/C(C)=O)[C@@H]3c3ccc(cc3)[*:1])c2c1
COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]1CC2 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc2CC[C@H]3C(=NN(/C(C)=C/C(C)=O)[C@H]3[*:1])c2c1
COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]1CC2 CC(=O)[*:1] COc1ccc2CC[C@H]3C(=NN(C(C)=C[*:1])[C@@H]3c3ccc(cc3)[N+](=O)[O-])c2c1
C=C(C)CCC[C@H]([NH2+]CC)C1CC1 C1CC1[*:1] C=C(C)CCC[C@H]([NH2+]CC)[*:1]
C=C(C)CCC[C@H]([NH2+]CC)C1CC1 C=C(C)C[*:1] CC[NH2+][C@@H](CC[*:1])C1CC1
C=C(C)CCC[C@H]([NH2+]CC)C1CC1 C=C(C)[*:1] CC[NH2+][C@@H](CCC[*:1])C1CC1
O=C(NCc1cccnc1-n1ccnc1)N[C@@H](c1ccccc1)C1CC1 c1cn(cn1)[*:1] O=C(NCc1cccnc1[*:1])N[C@@H](c1ccccc1)C1CC1
O=C(NCc1cccnc1-n1ccnc1)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(NCc1cccnc1-n1ccnc1)N[C@@H](c1ccccc1)[*:1]
O=C(NCc1cccnc1-n1ccnc1)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(NCc1cccnc1-n1ccnc1)N[C@@H](C1CC1)[*:1]
COc1cc(/C=C/C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1OC(F)F FC(F)[*:1] COc1cc(/C=C/C(=O)N2CCN(CC2)C(=O)[C@@H]2CCCO2)ccc1O[*:1]
COc1cc(/C=C/C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1OC(F)F FC(F)O[*:1] COc1cc(/C=C/C(=O)N2CCN(CC2)C(=O)[C@@H]2CCCO2)ccc1[*:1]
CC(=O)N(c1ccccc1)c1nc(CSc2ccccc2C)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)CSc1ccccc1C)[*:1]
CC(=O)N(c1ccccc1)c1nc(CSc2ccccc2C)cs1 Cc1ccccc1S[*:1] CC(=O)N(c1ccccc1)c1nc(cs1)C[*:1]
CC(=O)N(c1ccccc1)c1nc(CSc2ccccc2C)cs1 Cc1ccccc1[*:1] CC(=O)N(c1ccccc1)c1nc(cs1)CS[*:1]
CCn1c(=O)n(CC(=O)OCC(C)C)c2ccccc21 CC(C)C[*:1] CCn1c(=O)n(CC(=O)O[*:1])c2ccccc21
CCn1c(=O)n(CC(=O)OCC(C)C)c2ccccc21 CC(C)[*:1] CCn1c(=O)n(CC(=O)OC[*:1])c2ccccc21
O=C(NC1CCN(C(=O)c2ccncc2Cl)CC1)Oc1ccccc1 Clc1cnccc1[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])Oc1ccccc1
O=C(NC1CCN(C(=O)c2ccncc2Cl)CC1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)c1ccncc1Cl)O[*:1]
CCOCc1ccccc1NC(=O)CC1CCC1 CCOC[*:1] O=C(CC1CCC1)Nc1ccccc1[*:1]
CCOCc1ccccc1NC(=O)CC1CCC1 C1CC(C1)[*:1] CCOCc1ccccc1NC(=O)C[*:1]
CCOCc1ccccc1NC(=O)CC1CCC1 C1CC(C1)C[*:1] CCOCc1ccccc1NC(=O)[*:1]
CCOCc1ccccc1NC(=O)CC1CCC1 CCO[*:1] O=C(CC1CCC1)Nc1ccccc1C[*:1]
CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1cccc(OC(F)F)c1 FC(F)O[*:1] CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1cccc(c1)[*:1]
CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1cccc(OC(F)F)c1 CC(C)(C)[*:1] OC1C[C@@H](c2cccc(c2)OC(F)F)c2cnn(c2N=1)[*:1]
CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1cccc(OC(F)F)c1 FC(F)[*:1] CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1cccc(c1)O[*:1]
CC(C)(C)OC(=O)N1[C@@H](C(=O)NC[C@@H]2CCC[C@@H]2O)C[C@@H]2CCCC[C@H]21 O[C@H]1CCC[C@H]1C[*:1] CC(C)(C)OC(=O)N1[C@H](C[C@@H]2CCCC[C@H]21)C(=O)N[*:1]
CC(C)(C)OC(=O)N1[C@@H](C(=O)NC[C@@H]2CCC[C@@H]2O)C[C@@H]2CCCC[C@H]21 CC(C)(C)[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)O[*:1]
CC(C)(C)OC(=O)N1[C@@H](C(=O)NC[C@@H]2CCC[C@@H]2O)C[C@@H]2CCCC[C@H]21 O[C@H]1CCC[C@H]1[*:1] CC(C)(C)OC(=O)N1[C@H](C[C@@H]2CCCC[C@H]21)C(=O)NC[*:1]
COc1cc(C(=O)N(C)[C@@H](C)Cc2ccccc2OC)ccc1C COc1ccccc1[*:1] COc1cc(ccc1C)C(=O)N(C)[C@@H](C)C[*:1]
COc1ccc(C(=O)NCCn2nc(-n3nc(C)cc3C)ccc2=O)c(OC)c1 Cc1cc(C)n(n1)[*:1] COc1ccc(C(=O)NCCn2nc(ccc2=O)[*:1])c(c1)OC
CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)NC[*:1]
CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 CCC[*:1] C[C@@H](C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)[*:1]
CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 CCC[C@@H](C)[*:1] O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[*:1]
CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)N[*:1]
COCc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] COCc1ccc(cc1)C(=O)NCCc1cccc(c1)[*:1]
COCc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 COC[*:1] O=C(NCCc1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[*:1]
C[C@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(F)cn1 c1cn(nn1)[*:1] C[C@H]([NH2+][C@H](C)c1ccc(cc1)[*:1])c1ccc(F)cn1
C[C@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H]([NH2+][C@H](C)c1ccc(cc1)-n1ccnn1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N(C)[C@@H](C)c1cccnc1 c1cncc(c1)[*:1] CCCC[C@@H](NC(N)=O)C(=O)N(C)[C@@H](C)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N(C)[C@@H](C)c1cccnc1 NC(=O)N[*:1] CCCC[C@@H](C(=O)N(C)[C@@H](C)c1cccnc1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N(C)[C@@H](C)c1cccnc1 CCC[*:1] C[C@@H](c1cccnc1)N(C)C(=O)[C@@H](C[*:1])NC(N)=O
CCCC[C@@H](NC(N)=O)C(=O)N(C)[C@@H](C)c1cccnc1 CCCC[*:1] C[C@@H](c1cccnc1)N(C)C(=O)[C@H](NC(N)=O)[*:1]
CCOc1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 CCO[*:1] C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1[*:1]
CC(C)n1nccc1NC(=O)NCCc1nnc2ccccn12 CC(C)[*:1] O=C(NCCc1nnc2ccccn12)Nc1ccnn1[*:1]
C=CC[n+]1c(N)n(N)c2ccccc21 C=CC[*:1] Nc1n(N)c2ccccc2[n+]1[*:1]
c1cc(C2CC[NH+](Cc3ccsc3)CC2)n[nH]1 c1cc(n[nH]1)[*:1] c1cc(cs1)C[NH+]1CCC(CC1)[*:1]
c1cc(C2CC[NH+](Cc3ccsc3)CC2)n[nH]1 c1cc(cs1)[*:1] c1cc(n[nH]1)C1CC[NH+](CC1)C[*:1]
COc1ccc(/C=C/C=O)cc1OC O=CC=C[*:1] COc1ccc(cc1OC)[*:1]
CCN(C(=O)[C@@H](C)N1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)[C@@H](C)N1CCCc2ccccc21)[*:1]
C[C@@H]1C[C@H](NC(=O)CCOC2CCOCC2)c2ccccc21 C1CC(CCO1)[*:1] C[C@@H]1C[C@H](NC(=O)CCO[*:1])c2ccccc21
C[C@@H]1C[C@H](NC(=O)CCOC2CCOCC2)c2ccccc21 C1CC(CCO1)O[*:1] C[C@@H]1C[C@H](NC(=O)CC[*:1])c2ccccc21
O=C(Nc1cc2c(cc1Br)OCCO2)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Nc1cc2OCCOc2cc1Br)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1cc2ccccc2n1CCC(=O)N[C@@H](C)c1n[nH]c(=O)[nH]1 O=c1[nH]nc([nH]1)[*:1] Cc1cc2ccccc2n1CCC(=O)N[C@@H](C)[*:1]
C#CCOc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 C#CC[*:1] O=C(c1ccc(cc1)O[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
C#CCOc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 O=[N+]([O-])[*:1] C#CCOc1ccc(cc1)C(=O)N1CCc2ccc(cc2C1)[*:1]
C#CCOc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 C#CCO[*:1] O=C(c1ccc(cc1)[*:1])N1CCc2ccc(cc2C1)[N+](=O)[O-]
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccco1 O=C(O[*:1])c1ccco1 COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1[*:1]
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccco1 Clc1ccc(cc1)[*:1] COc1cc(/C=C(\C#N)[*:1])ccc1OC(=O)c1ccco1
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccco1 c1coc(c1)[*:1] COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[*:1]
O=C(C[NH+](Cc1cccs1)C1CC1)N1CCNC1=O C1CC1[*:1] O=C(C[NH+](Cc1cccs1)[*:1])N1CCNC1=O
O=C(C[NH+](Cc1cccs1)C1CC1)N1CCNC1=O c1csc(c1)[*:1] O=C(C[NH+](C[*:1])C1CC1)N1CCNC1=O
O=C(C[NH+](Cc1cccs1)C1CC1)N1CCNC1=O c1csc(c1)C[*:1] O=C(C[NH+](C1CC1)[*:1])N1CCNC1=O
CC(C)(C)[C@@H]([NH2+]Cc1noc(C2CC2)n1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@@H]([NH2+]Cc1noc(n1)C1CC1)[*:1]
CC(C)(C)[C@@H]([NH2+]Cc1noc(C2CC2)n1)c1ccccc1 C1CC1[*:1] CC(C)(C)[C@@H]([NH2+]Cc1noc(n1)[*:1])c1ccccc1
CC(C)(C)[C@@H]([NH2+]Cc1noc(C2CC2)n1)c1ccccc1 CC(C)(C)[*:1] c1ccc(cc1)[C@H]([NH2+]Cc1noc(n1)C1CC1)[*:1]
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccco3)CS[C@H]21 c1coc(c1)[*:1] COc1ccc2c(C(=O)N3[C@@H](CS[C@H]23)C(=O)NC[*:1])c1OC
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccco3)CS[C@H]21 c1coc(c1)C[*:1] COc1ccc2c(C(=O)N3[C@@H](CS[C@H]23)C(=O)N[*:1])c1OC
CCC[C@](C)(CO)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 CCC[C@](C)(CO)[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)N[*:1]
CCC[C@](C)(CO)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 CCC[*:1] C[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)N[C@](C)(CO)[*:1]
CN(CCOCC1CC1)Cc1cccnc1C#N C1CC1COC[*:1] CN(Cc1cccnc1C#N)C[*:1]
CN(CCOCC1CC1)Cc1cccnc1C#N C1CC1C[*:1] CN(CCO[*:1])Cc1cccnc1C#N
CN(CCOCC1CC1)Cc1cccnc1C#N C1CC1CO[*:1] CN(CC[*:1])Cc1cccnc1C#N
CN(CCOCC1CC1)Cc1cccnc1C#N C1CC1[*:1] CN(CCOC[*:1])Cc1cccnc1C#N
CCOC[C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CCOC[C@@H]1CCCN(C1)c1ccc(C#N)c(c1)[*:1]
CCOC[C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 CCOC[*:1] N#Cc1ccc(cc1C(F)(F)F)N1CCC[C@H](C1)[*:1]
CCOC[C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 CCO[*:1] N#Cc1ccc(cc1C(F)(F)F)N1CCC[C@H](C1)C[*:1]
C[C@H]([NH2+]CCCN(C)C(=O)C1CCC1)c1nc2c(s1)CCCC2 C1CC(C1)[*:1] C[C@H]([NH2+]CCCN(C)C(=O)[*:1])c1nc2CCCCc2s1
O=C(Cc1cccc2cccnc12)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(Cc1cccc2cccnc12)Nc1cnc(s1)[*:1]
CCOc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc([N+](=O)[O-])cc3)nc12 CCO[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N(C[C@H]1CCCO1)c1nc2c(cccc2s1)[*:1]
CCOc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc([N+](=O)[O-])cc3)nc12 O=[N+]([O-])c1ccc(cc1)[*:1] CCOc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
CCOc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc([N+](=O)[O-])cc3)nc12 O=[N+]([O-])[*:1] CCOc1cccc2sc(nc12)N(C[C@H]1CCCO1)C(=O)c1ccc(cc1)[*:1]
Cc1ccncc1[C@H](O)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] Cc1ccncc1[C@H](O)C1(CCCC1)[*:1]
CC[C@@](C)(NC(=O)NCCc1ncn[nH]1)C(=O)[O-] c1n[nH]c(C[*:1])n1 CC[C@@](C)(NC(=O)NC[*:1])C(=O)[O-]
CC[C@@](C)(NC(=O)NCCc1ncn[nH]1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)NCCc1ncn[nH]1)[*:1]
CC[C@@](C)(NC(=O)NCCc1ncn[nH]1)C(=O)[O-] c1n[nH]c(n1)[*:1] CC[C@@](C)(NC(=O)NCC[*:1])C(=O)[O-]
CC(C)c1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 CC(C)[*:1] C[C@H]1Cc2cc(Br)cc3c(=O)c(cn1c23)C(=O)Nc1ccc(cc1)[*:1]
CC(C)c1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 CC(C)c1ccc(cc1)[*:1] C[C@H]1Cc2cc(Br)cc3c(=O)c(cn1c23)C(=O)N[*:1]
O=C(C[S@@](=O)CCN1C(=O)c2ccccc2C1=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(C[S@@](=O)CCN1C(=O)c2ccccc2C1=O)N[*:1]
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1[*:1]
COC[C@@H]1CN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CCO1 O=C(NC1CC1)[*:1] COC[C@@H]1CN(CCO1)c1cc(c2ccccc2n1)[*:1]
COC[C@@H]1CN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CCO1 COC[*:1] O=C(NC1CC1)c1cc(nc2ccccc12)N1CCO[C@@H](C1)[*:1]
COC[C@@H]1CN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CCO1 C1CC1[*:1] COC[C@@H]1CN(CCO1)c1cc(C(=O)N[*:1])c2ccccc2n1
COCC(=O)Oc1ccc(Oc2ccccc2)cc1 COCC(=O)O[*:1] c1ccc(cc1)Oc1ccc(cc1)[*:1]
COCC(=O)Oc1ccc(Oc2ccccc2)cc1 COC[*:1] O=C(Oc1ccc(cc1)Oc1ccccc1)[*:1]
COCC(=O)Oc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] COCC(=O)Oc1ccc(cc1)O[*:1]
CCc1ccc(O)c(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 FC(F)(F)[*:1] CCc1ccc(O)c(c1)NS(=O)(=O)c1ccccc1O[*:1]
CCc1ccc(O)c(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 FC(F)(F)O[*:1] CCc1ccc(O)c(c1)NS(=O)(=O)c1ccccc1[*:1]
CC(C)[C@H]([NH2+]Cc1ccncc1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H]([NH2+]Cc1ccncc1)[*:1]
CC(C)[C@H]([NH2+]Cc1ccncc1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H]([NH2+]Cc1ccncc1)[*:1]
Cc1ccc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)NC(=O)Nc1ccc(Cl)c(c1)[*:1]
Cc1ccc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)c(c1)[N+](=O)[O-])N[*:1]
Cc1nc(-c2c[nH]c(C(=O)NC[C@@H]3COc4ccccc4O3)c2)cs1 Cc1nc(cs1)[*:1] O=C(NC[C@@H]1COc2ccccc2O1)c1cc(c[nH]1)[*:1]
Cc1sc2ncnc(SCCC(=O)O[C@@H](C)[C@@H]3CCCO3)c2c1C C1CO[C@@H](C1)[*:1] Cc1sc2ncnc(SCCC(=O)O[C@@H](C)[*:1])c2c1C
CCN(CC(C)(C)O)C(=O)C(=O)Nc1ccc(OC)cc1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)C(=O)Nc1ccc(cc1)OC
CCN(CC(C)(C)O)C(=O)C(=O)Nc1ccc(OC)cc1 CC(C)(O)C[*:1] CCN(C(=O)C(=O)Nc1ccc(cc1)OC)[*:1]
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O Clc1ccc(cc1)O[*:1] Cc1nc(C[*:1])sc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O Clc1ccc(cc1)OC[*:1] Cc1nc(sc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O)[*:1]
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O O=C1NCCN1C(=O)[*:1] Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)O[C@@H](C)[*:1]
Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O Clc1ccc(cc1)[*:1] Cc1nc(CO[*:1])sc1C(=O)O[C@@H](C)C(=O)N1CCNC1=O
CCCCc1c(C)nn(-c2nc(C)c(C(=O)N3CCCC3)s2)c1C CCCC[*:1] Cc1nc(sc1C(=O)N1CCCC1)-n1nc(C)c(c1C)[*:1]
CCCCc1c(C)nn(-c2nc(C)c(C(=O)N3CCCC3)s2)c1C O=C(N1CCCC1)[*:1] CCCCc1c(C)nn(-c2nc(C)c(s2)[*:1])c1C
CCCCc1c(C)nn(-c2nc(C)c(C(=O)N3CCCC3)s2)c1C CCC[*:1] Cc1nc(sc1C(=O)N1CCCC1)-n1nc(C)c(C[*:1])c1C
O=C(NCc1cccc(Cl)c1)Nc1cnn(C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] O=C(NCc1cccc(Cl)c1)Nc1cnn(c1)[*:1]
O=C(NCc1cccc(Cl)c1)Nc1cnn(C[C@@H]2CCCO2)c1 Clc1cccc(c1)[*:1] O=C(NC[*:1])Nc1cnn(c1)C[C@@H]1CCCO1
O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)Nc1nncs1 c1nnc(s1)[*:1] O=C(Cn1nc(ccc1=O)N1CCC(CC1)Cc1ccccc1)N[*:1]
O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)Nc1nncs1 c1ccc(cc1)C[*:1] O=C(Cn1nc(ccc1=O)N1CCC(CC1)[*:1])Nc1nncs1
O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)Nc1nncs1 c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)N1CCC(CC1)C[*:1])Nc1nncs1
O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)Nc1nncs1 O=C(C[*:1])Nc1nncs1 O=c1ccc(nn1[*:1])N1CCC(CC1)Cc1ccccc1
O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)Nc1nncs1 O=C(Nc1nncs1)[*:1] O=c1ccc(nn1C[*:1])N1CCC(CC1)Cc1ccccc1
C#Cc1cccc(N(CC)C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 CC(C)(C)[*:1] C#Cc1cccc(c1)N(CC)C(=O)[C@H]1CCN(C1)C(=O)O[*:1]
C#Cc1cccc(N(CC)C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 C#Cc1cccc(c1)[*:1] CCN(C(=O)[C@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
O=C(Cn1nnc(-c2cccc(F)c2)n1)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1nnc(n1)-c1cccc(F)c1)NC(c1ccccc1)[*:1]
O=C(Cn1nnc(-c2cccc(F)c2)n1)NC(c1ccccc1)c1ccccc1 Fc1cccc(c1)[*:1] O=C(Cn1nnc(n1)[*:1])NC(c1ccccc1)c1ccccc1
CCNC(=O)c1ccc(C)c(NC(=O)N[C@H](C)C(C)(C)c2ccccc2)c1 CC(C)(c1ccccc1)[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)N[C@H](C)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)N[C@H](C)C(C)(C)c2ccccc2)c1 CCNC(=O)[*:1] Cc1ccc(cc1NC(=O)N[C@H](C)C(C)(C)c1ccccc1)[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)N[C@H](C)C(C)(C)c2ccccc2)c1 c1ccc(cc1)[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)N[C@H](C)C(C)(C)[*:1]
CC[C@H](C)C[NH2+][C@H](CC)c1noc(C)n1 CC[C@H](C)C[*:1] CC[C@@H]([NH2+][*:1])c1noc(C)n1
CC[C@H](C)C[NH2+][C@H](CC)c1noc(C)n1 CC[C@H](C)[*:1] CC[C@@H]([NH2+]C[*:1])c1noc(C)n1
NC(=O)c1c(NC(=O)C(=O)NCc2ccccc2)sc2c1CCC2 c1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)C(=O)NC[*:1])sc2CCCc21
NC(=O)c1c(NC(=O)C(=O)NCc2ccccc2)sc2c1CCC2 c1ccc(cc1)C[*:1] NC(=O)c1c(NC(=O)C(=O)N[*:1])sc2CCCc21
NC(=O)c1c(NC(=O)C(=O)NCc2ccccc2)sc2c1CCC2 NC(=O)[*:1] O=C(NCc1ccccc1)C(=O)Nc1sc2CCCc2c1[*:1]
COc1ccc(N)c(SCc2cc(C(=O)NN)co2)c1 NNC(=O)[*:1] COc1ccc(N)c(c1)SCc1cc(co1)[*:1]
C#CCN1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 O=C(NC1CC1)[*:1] C#CCN1CCN(CC1)[C@@H](c1ccccc1)[*:1]
C#CCN1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C#CCN1CCN(CC1)[C@@H](C(=O)NC1CC1)[*:1]
C#CCN1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 C#CC[*:1] O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(CC1)[*:1]
C#CCN1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 C1CC1[*:1] C#CCN1CCN(CC1)[C@@H](C(=O)N[*:1])c1ccccc1
O=C1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)NC(N2CCc3ccccc3C2)=N1 c1ccc(cc1)O[*:1] O=C1C[C@@H](NC(=N1)N1CCc2ccccc2C1)C(=O)Nc1ccc(cc1)[*:1]
O=C1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)NC(N2CCc3ccccc3C2)=N1 c1ccc(cc1)[*:1] O=C1C[C@@H](NC(=N1)N1CCc2ccccc2C1)C(=O)Nc1ccc(cc1)O[*:1]
CN(/C=C/c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C)c1ccccc1 c1ccc(cc1)[*:1] CN(/C=C/c1c(c(=O)n(C)c(=O)n1C)[N+](=O)[O-])[*:1]
CN(/C=C/c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C)c1ccccc1 O=[N+]([O-])[*:1] CN(/C=C/c1c(c(=O)n(C)c(=O)n1C)[*:1])c1ccccc1
Cc1ncc(/C=C/c2nc(-c3cnccn3)no2)s1 Cc1ncc(s1)[*:1] C(=C[*:1])c1nc(no1)-c1cnccn1
Cc1ncc(/C=C/c2nc(-c3cnccn3)no2)s1 c1cnc(cn1)[*:1] Cc1ncc(/C=C/c2nc(no2)[*:1])s1
CN(CCOc1ccc(C#N)cc1)Cc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CN(CCOc1ccc(C#N)cc1)C[*:1]
Cc1c(NCc2ccccn2)cccc1C(=O)N1CCOC[C@@H]1CC(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1C(=O)N1CCOC[C@@H]1C[*:1])NCc1ccccn1
Cc1c(NCc2ccccn2)cccc1C(=O)N1CCOC[C@@H]1CC(=O)[O-] O=C([O-])C[*:1] Cc1c(cccc1C(=O)N1CCOC[C@H]1[*:1])NCc1ccccn1
Cc1c(NCc2ccccn2)cccc1C(=O)N1CCOC[C@@H]1CC(=O)[O-] c1ccc(nc1)[*:1] Cc1c(cccc1C(=O)N1CCOC[C@@H]1CC(=O)[O-])NC[*:1]
Cc1c(NCc2ccccn2)cccc1C(=O)N1CCOC[C@@H]1CC(=O)[O-] c1ccc(C[*:1])nc1 Cc1c(cccc1C(=O)N1CCOC[C@@H]1CC(=O)[O-])N[*:1]
Cc1c(NCc2ccccn2)cccc1C(=O)N1CCOC[C@@H]1CC(=O)[O-] c1ccc(CN[*:1])nc1 Cc1c(cccc1[*:1])C(=O)N1CCOC[C@@H]1CC(=O)[O-]
O=S(=O)(/N=c1/[nH]c(C2CC2)cs1)c1ccc(F)c(F)c1 C1CC1[*:1] O=S(=O)(/N=c1/[nH]c(cs1)[*:1])c1ccc(F)c(F)c1
CS(=O)(=O)c1cccc(S(=O)(=O)NCCC[N+]2=CCCC2)c1 CS(=O)(=O)[*:1] O=S(=O)(NCCC[N+]1=CCCC1)c1cccc(c1)[*:1]
O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C(Nc1ccc(Cl)c(c1)-c1ccc(CO)o1)[*:1]
O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cncc(Br)c1 OCc1ccc(o1)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1cncc(Br)c1
CCSCc1cc(F)cc(/C=C/C(=O)[O-])c1 O=C([O-])C=C[*:1] CCSCc1cc(F)cc(c1)[*:1]
CCSCc1cc(F)cc(/C=C/C(=O)[O-])c1 O=C([O-])[*:1] CCSCc1cc(F)cc(C=C[*:1])c1
CCSCc1cc(F)cc(/C=C/C(=O)[O-])c1 CCSC[*:1] O=C([O-])/C=C/c1cc(F)cc(c1)[*:1]
CCSCc1cc(F)cc(/C=C/C(=O)[O-])c1 CCS[*:1] O=C([O-])/C=C/c1cc(F)cc(c1)C[*:1]
CCCc1nnc(NC(=O)c2cccc(S(C)(=O)=O)c2)s1 CCC[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1nnc(s1)[*:1]
CCCc1nnc(NC(=O)c2cccc(S(C)(=O)=O)c2)s1 CS(=O)(=O)[*:1] CCCc1nnc(NC(=O)c2cccc(c2)[*:1])s1
CC(C)S(=O)(=O)N1CCC(Oc2cnccn2)CC1 c1cnc(cn1)[*:1] CC(C)S(=O)(=O)N1CCC(CC1)O[*:1]
CC(C)S(=O)(=O)N1CCC(Oc2cnccn2)CC1 CC(C)[*:1] O=S(=O)(N1CCC(CC1)Oc1cnccn1)[*:1]
CNC(=O)NCC(=O)Nc1ncc(Cc2cccc(F)c2)s1 Fc1cccc(c1)[*:1] CNC(=O)NCC(=O)Nc1ncc(C[*:1])s1
CNC(=O)NCC(=O)Nc1ncc(Cc2cccc(F)c2)s1 CNC(=O)NC[*:1] O=C(Nc1ncc(Cc2cccc(F)c2)s1)[*:1]
CNC(=O)NCC(=O)Nc1ncc(Cc2cccc(F)c2)s1 CNC(=O)N[*:1] O=C(C[*:1])Nc1ncc(Cc2cccc(F)c2)s1
O[C@H](COc1cc(Cl)ccc1Cl)CSc1nc(-c2ccncc2)n[nH]1 Clc1ccc(Cl)c(c1)[*:1] O[C@H](CO[*:1])CSc1nc(n[nH]1)-c1ccncc1
O[C@H](COc1cc(Cl)ccc1Cl)CSc1nc(-c2ccncc2)n[nH]1 c1cc(ccn1)[*:1] O[C@H](COc1cc(Cl)ccc1Cl)CSc1nc(n[nH]1)[*:1]
COc1cc(NC(=O)[C@H](C)Sc2nccn2-c2cccc(F)c2)cc(OC)c1 Fc1cccc(c1)[*:1] COc1cc(cc(c1)OC)NC(=O)[C@H](C)Sc1nccn1[*:1]
CCNC(=O)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(Cl)o2)=NO1 Fc1ccc(c(F)c1)[*:1] CCNC(=O)N(C[C@@H]1CC(=NO1)c1ccc(Cl)o1)C[*:1]
CCNC(=O)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(Cl)o2)=NO1 Fc1ccc(C[*:1])c(F)c1 CCNC(=O)N(C[C@@H]1CC(=NO1)c1ccc(Cl)o1)[*:1]
CCNC(=O)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(Cl)o2)=NO1 Clc1ccc(o1)[*:1] CCNC(=O)N(Cc1ccc(F)cc1F)C[C@@H]1CC(=NO1)[*:1]
COc1cc([C@@H]2CC(=O)N(c3cccc(F)c3)c3c2sc(=O)n3C)cc(OC)c1OC Fc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC(=O)N(c2c1sc(=O)n2C)[*:1]
CCCn1ccc2ccc(NC(=O)N(C)CCCOC)cc21 COC[*:1] CCCn1ccc2ccc(cc21)NC(=O)N(C)CC[*:1]
CCCn1ccc2ccc(NC(=O)N(C)CCCOC)cc21 CCC[*:1] COCCCN(C)C(=O)Nc1ccc2ccn(c2c1)[*:1]
CCCn1ccc2ccc(NC(=O)N(C)CCCOC)cc21 COCCC[*:1] CCCn1ccc2ccc(cc21)NC(=O)N(C)[*:1]
CCCn1ccc2ccc(NC(=O)N(C)CCCOC)cc21 COCC[*:1] CCCn1ccc2ccc(cc21)NC(=O)N(C)C[*:1]
CCC1=NN(C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)C1 Fc1ccc(cc1)[*:1] CCC1C[C@@](O)(N(N=1)C(=O)[*:1])C(F)(F)F
CCC1=NN(C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CCC1C[C@](O)(N(N=1)C(=O)c1ccc(F)cc1)[*:1]
C[C@@H](Sc1ccc(F)c(F)c1)C(=O)NC1CC1 C1CC1[*:1] C[C@@H](Sc1ccc(F)c(F)c1)C(=O)N[*:1]
CC(=O)Nc1ccc(NC(=O)Cn2cc[nH+]c2)c(C(F)(F)F)c1 CC(=O)N[*:1] O=C(Cn1cc[nH+]c1)Nc1ccc(cc1C(F)(F)F)[*:1]
CC(=O)Nc1ccc(NC(=O)Cn2cc[nH+]c2)c(C(F)(F)F)c1 FC(F)(F)[*:1] CC(=O)Nc1ccc(NC(=O)Cn2cc[nH+]c2)c(c1)[*:1]
C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1[*:1])NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]
C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] O=C([O-])[C@H]1CCCC[C@H]1[*:1] C[C@H](CNC(=O)[*:1])NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]
C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])NC(=O)[C@@H]1CCCC[C@H]1[*:1]
O=C(NCCCc1ccccn1)[C@@H]1CCOc2ccccc2C1 c1ccc(C[*:1])nc1 O=C(NCC[*:1])[C@@H]1CCOc2ccccc2C1
O=C(NCCCc1ccccn1)[C@@H]1CCOc2ccccc2C1 c1ccc(nc1)[*:1] O=C(NCCC[*:1])[C@@H]1CCOc2ccccc2C1
COc1cc(C)c([S@@](=O)Cc2csc([C@@H](C)OC)n2)cc1OC CO[C@H](C)[*:1] COc1cc(C)c(cc1OC)[S@@](=O)Cc1csc(n1)[*:1]
CCCOc1ccc(N2C(=O)C[C@@H](NC[C@H]3CCCO3)C2=O)cc1 C1CO[C@H](C1)[*:1] CCCOc1ccc(cc1)N1C(=O)C[C@@H](NC[*:1])C1=O
CCCOc1ccc(N2C(=O)C[C@@H](NC[C@H]3CCCO3)C2=O)cc1 CCC[*:1] O=C1C[C@@H](NC[C@H]2CCCO2)C(=O)N1c1ccc(cc1)O[*:1]
CCCOc1ccc(N2C(=O)C[C@@H](NC[C@H]3CCCO3)C2=O)cc1 CCCO[*:1] O=C1C[C@@H](NC[C@H]2CCCO2)C(=O)N1c1ccc(cc1)[*:1]
CCCOc1ccc(N2C(=O)C[C@@H](NC[C@H]3CCCO3)C2=O)cc1 C1CO[C@H](C1)C[*:1] CCCOc1ccc(cc1)N1C(=O)C[C@@H](N[*:1])C1=O
CCCOc1ccc(N2C(=O)C[C@@H](NC[C@H]3CCCO3)C2=O)cc1 C1CO[C@H](C1)CN[*:1] CCCOc1ccc(cc1)N1C(=O)C[C@@H](C1=O)[*:1]
Cc1noc(COC(=O)c2sc(-c3nc[nH]n3)nc2C)n1 Cc1noc(n1)[*:1] Cc1nc(sc1C(=O)OC[*:1])-c1nc[nH]n1
Cc1noc(COC(=O)c2sc(-c3nc[nH]n3)nc2C)n1 Cc1noc(C[*:1])n1 Cc1nc(sc1C(=O)O[*:1])-c1nc[nH]n1
Cc1noc(COC(=O)c2sc(-c3nc[nH]n3)nc2C)n1 c1nc(n[nH]1)[*:1] Cc1noc(COC(=O)c2sc(nc2C)[*:1])n1
CCc1ccc(OCC(=O)NNC(=O)c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CCc1ccc(cc1)OCC(=O)NNC(=O)[*:1]
CCn1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cn1 CCn1cc(cn1)[*:1] O=C(Nc1ccc(cc1)-c1nc2ccccc2s1)[*:1]
Cc1cccc(C(N)=O)c1NCCCc1ccccc1 NC(=O)[*:1] Cc1cccc(c1NCCCc1ccccc1)[*:1]
Cc1cccc(C(N)=O)c1NCCCc1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C(N)=O)c1NCCC[*:1]
C[C@@H](CC1CCCCC1)C(=O)N1CCC(NC(=O)c2ccsc2)CC1 O=C(N[*:1])c1ccsc1 C[C@@H](CC1CCCCC1)C(=O)N1CCC(CC1)[*:1]
C[C@@H](CC1CCCCC1)C(=O)N1CCC(NC(=O)c2ccsc2)CC1 C1CCC(CC1)[*:1] C[C@@H](C[*:1])C(=O)N1CCC(CC1)NC(=O)c1ccsc1
C[C@@H](CC1CCCCC1)C(=O)N1CCC(NC(=O)c2ccsc2)CC1 C1CCC(CC1)C[*:1] C[C@@H](C(=O)N1CCC(CC1)NC(=O)c1ccsc1)[*:1]
C[C@@H](CC1CCCCC1)C(=O)N1CCC(NC(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] C[C@@H](CC1CCCCC1)C(=O)N1CCC(CC1)NC(=O)[*:1]
N#CCSc1ccccc1C(=O)NCc1ccccn1 N#CC[*:1] O=C(NCc1ccccn1)c1ccccc1S[*:1]
N#CCSc1ccccc1C(=O)NCc1ccccn1 c1ccc(nc1)[*:1] N#CCSc1ccccc1C(=O)NC[*:1]
N#CCSc1ccccc1C(=O)NCc1ccccn1 N#CCS[*:1] O=C(NCc1ccccn1)c1ccccc1[*:1]
CCS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)N[*:1]
CCS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 CCS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])NC1CCCCC1
CS[C@H]1CCC[C@@H]1NC(=O)NCC[C@H](O)C(C)C CC(C)[C@@H](O)C[*:1] CS[C@H]1CCC[C@@H]1NC(=O)NC[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)NCC[C@H](O)C(C)C CC(C)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)NCC[C@H](O)[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)NCC[C@H](O)C(C)C CC(C)[C@@H](O)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)NCC[*:1]
Cl[C@@H](Cc1ccc2ccccc2n1)c1ccoc1 c1cc(co1)[*:1] Cl[C@@H](Cc1ccc2ccccc2n1)[*:1]
Cc1cc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)no1 CC(C)(C)[*:1] Cc1cc(no1)NC(=O)c1ccc(cc1)C(=O)O[*:1]
Cc1cc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)no1 CC(C)(C)OC(=O)[*:1] Cc1cc(no1)NC(=O)c1ccc(cc1)[*:1]
Cc1cc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)no1 Cc1cc(no1)[*:1] CC(C)(C)OC(=O)c1ccc(cc1)C(=O)N[*:1]
CCCS(=O)(=O)/N=C(\[O-])c1cnn2cc(Br)cnc12 CCC[*:1] O=S(=O)(/N=C(\[O-])c1cnn2cc(Br)cnc12)[*:1]
C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)CO[*:1])c1ccc2OCOc2c1
CC(C)(CNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(/C=C/c1ccc(cc1)N1CCCC1=O)NC[*:1]
CC(C)(CNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1ccncc1 O=C1CCCN1[*:1] CC(C)(CNC(=O)/C=C/c1ccc(cc1)[*:1])c1ccncc1
CC(C)(CNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)/C=C/c1ccc(cc1)N1CCCC1=O)[*:1]
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1C c1coc(c1)[*:1] Cc1cccc(c1NC(=O)[C@H](C)Sc1nnc(n1C)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1C CC(C)[*:1] Cc1cccc(c1NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1C)[*:1]
C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1cccnc1 c1cncc(c1)[*:1] C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1cccnc1 C1CCC(C1)O[*:1] C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[*:1])c1cccnc1
C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1cccnc1 C1CCC(C1)[*:1] C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1O[*:1])c1cccnc1
COc1ccc2[nH]cc(CC(=O)Oc3cccc(NC(=O)C4CC4)c3)c2c1 C1CC1[*:1] COc1ccc2[nH]cc(CC(=O)Oc3cccc(c3)NC(=O)[*:1])c2c1
COc1ccc2[nH]cc(CC(=O)Oc3cccc(NC(=O)C4CC4)c3)c2c1 O=C(N[*:1])C1CC1 COc1ccc2[nH]cc(CC(=O)Oc3cccc(c3)[*:1])c2c1
Cc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3C2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)N[C@@H](C)[*:1]
Cc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])c1ccccc1
Cc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3C2=O)cc1 C[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)N[*:1]
COc1cccc(NC(=O)CSc2nccn(-c3ccc(C)c(C)c3)c2=O)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1C)-n1ccnc(SCC(=O)N[*:1])c1=O
COc1cccc(NC(=O)CSc2nccn(-c3ccc(C)c(C)c3)c2=O)c1 Cc1ccc(cc1C)[*:1] COc1cccc(c1)NC(=O)CSc1nccn(c1=O)[*:1]
C[C@H](c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1-c1ccc(F)cc1)[NH+](C)C Fc1ccc(cc1)[*:1] C[C@H](c1nnc(SCC(=O)Nc2ccc3OCCOc3c2)n1[*:1])[NH+](C)C
C[C@H](c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1-c1ccc(F)cc1)[NH+](C)C c1cc2OCCOc2cc1[*:1] C[C@H](c1nnc(SCC(=O)N[*:1])n1-c1ccc(F)cc1)[NH+](C)C
CN(CCS(C)(=O)=O)C(=O)[C@H]1CCC[NH2+]C1 CS(=O)(=O)C[*:1] CN(C[*:1])C(=O)[C@H]1CCC[NH2+]C1
CN(CCS(C)(=O)=O)C(=O)[C@H]1CCC[NH2+]C1 CS(=O)(=O)[*:1] CN(CC[*:1])C(=O)[C@H]1CCC[NH2+]C1
COC(=O)c1ccc(CN2CCN(CCn3cc[nH+]c3C)CC2)cc1 COC(=O)[*:1] Cc1[nH+]ccn1CCN1CCN(CC1)Cc1ccc(cc1)[*:1]
N#Cc1ccc(OCCn2ccnc2)cc1 c1cn(cn1)[*:1] N#Cc1ccc(cc1)OCC[*:1]
COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccccc2)cc1 NC(=O)[*:1] COc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccccc1
COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)N(CC(N)=O)[*:1]
COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccccc2)cc1 NC(=O)C[*:1] COc1ccc(cc1)S(=O)(=O)N(c1ccccc1)[*:1]
COc1ccccc1CN1CCN(C(=O)c2ccccc2C(C)=O)CC1 COc1ccccc1[*:1] CC(=O)c1ccccc1C(=O)N1CCN(CC1)C[*:1]
COc1ccccc1CN1CCN(C(=O)c2ccccc2C(C)=O)CC1 CC(=O)[*:1] COc1ccccc1CN1CCN(CC1)C(=O)c1ccccc1[*:1]
O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1cnn(-c2ccccc2F)c1C(F)(F)F
O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F FC(F)(F)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cnn(-c2ccccc2F)c1C(F)(F)F
O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F FC(F)(F)C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cnn(-c2ccccc2F)c1C(F)(F)F
O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(cc1)OCC(F)(F)F)c1cnn(-c2ccccc2F)c1[*:1]
O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F Fc1ccccc1[*:1] O=C(Nc1ccc(cc1)OCC(F)(F)F)c1cnn(c1C(F)(F)F)[*:1]
O=c1n(CCNc2ccccc2-n2cccn2)nc2ccccn12 c1cnn(c1)[*:1] O=c1n(CCNc2ccccc2[*:1])nc2ccccn12
CNc1nnc(SCC(=O)NC2CCCCC2)s1 C1CCC(CC1)[*:1] CNc1nnc(SCC(=O)N[*:1])s1
O=C(Cn1ncn2nccc2c1=O)N1CCC[C@@H](n2cncn2)C1 c1ncn(n1)[*:1] O=C(Cn1ncn2nccc2c1=O)N1CCC[C@@H](C1)[*:1]
Cc1cc(NC(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)ccc1C(N)=O NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@H]1CCCC[C@H]1OC1CCCC1
Cc1cc(NC(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)ccc1C(N)=O C1CCC(C1)[*:1] Cc1cc(ccc1C(N)=O)NC(=O)N[C@H]1CCCC[C@H]1O[*:1]
Cc1cc(NC(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)ccc1C(N)=O C1CCC(C1)O[*:1] Cc1cc(ccc1C(N)=O)NC(=O)N[C@H]1CCCC[C@@H]1[*:1]
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1cccnc1 c1ccc(cc1)C[*:1] N#CC1=C(N)Oc2n[nH]c(-c3ccc(cc3)O[*:1])c2[C@H]1c1cccnc1
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1cccnc1 c1cncc(c1)[*:1] N#CC1=C(N)Oc2n[nH]c(-c3ccc(cc3)OCc3ccccc3)c2[C@@H]1[*:1]
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1cccnc1 c1ccc(cc1)[*:1] N#CC1=C(N)Oc2n[nH]c(-c3ccc(cc3)OC[*:1])c2[C@H]1c1cccnc1
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1cccnc1 c1ccc(cc1)CO[*:1] N#CC1=C(N)Oc2n[nH]c(-c3ccc(cc3)[*:1])c2[C@H]1c1cccnc1
COC[C@@](C)(CCO)[NH2+]Cc1nnsc1Cl OCC[*:1] COC[C@@](C)([NH2+]Cc1nnsc1Cl)[*:1]
COC[C@@](C)(CCO)[NH2+]Cc1nnsc1Cl COC[*:1] C[C@@](CCO)([NH2+]Cc1nnsc1Cl)[*:1]
C[C@@H](CCCO)NC(=O)C1CCCCCCC1 OCC[*:1] C[C@@H](C[*:1])NC(=O)C1CCCCCCC1
C[C@@H](CCCO)NC(=O)C1CCCCCCC1 OCCC[*:1] C[C@@H](NC(=O)C1CCCCCCC1)[*:1]
Cc1c(C(=O)Nc2ccccc2Cl)nnn1CC(=O)Nc1ccc2c(c1)OCO2 Clc1ccccc1[*:1] Cc1c(nnn1CC(=O)Nc1ccc2OCOc2c1)C(=O)N[*:1]
Cc1c(C(=O)Nc2ccccc2Cl)nnn1CC(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1c(nnn1CC(=O)N[*:1])C(=O)Nc1ccccc1Cl
CCN(CC(=O)N(C)C)C(=O)c1ccnc(N2CCCC[C@@H]2C)c1 C[C@H]1CCCCN1[*:1] CCN(CC(=O)N(C)C)C(=O)c1ccnc(c1)[*:1]
CCN(CC(=O)N(C)C)C(=O)c1ccnc(N2CCCC[C@@H]2C)c1 CN(C)C(=O)C[*:1] CCN(C(=O)c1ccnc(c1)N1CCCC[C@@H]1C)[*:1]
CCN(CC(=O)N(C)C)C(=O)c1ccnc(N2CCCC[C@@H]2C)c1 CN(C)C(=O)[*:1] CCN(C[*:1])C(=O)c1ccnc(c1)N1CCCC[C@@H]1C
Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 Cc1ccccc1[*:1] O=C([C@H]1C[C@@H]1[*:1])N1CCC[C@@H](C1)[NH+]1CCCCCC1
N#C[C@]1(NC2CC2)CC[C@H](Oc2ccc(F)cc2F)C1 C1CC1[*:1] N#C[C@@]1(CC[C@@H](C1)Oc1ccc(F)cc1F)N[*:1]
N#C[C@]1(NC2CC2)CC[C@H](Oc2ccc(F)cc2F)C1 C1CC1N[*:1] N#C[C@@]1(CC[C@@H](C1)Oc1ccc(F)cc1F)[*:1]
O=C(C1CCN(S(=O)(=O)c2ccc(-c3noc(-c4ccco4)n3)cc2)CC1)N1CCCC1 c1coc(c1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1noc(n1)[*:1])N1CCCC1
O=C(C1CCN(S(=O)(=O)c2ccc(-c3noc(-c4ccco4)n3)cc2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(c1ccc(cc1)-c1noc(n1)-c1ccco1)N1CCC(CC1)[*:1]
O=C(C1CCN(S(=O)(=O)c2ccc(-c3noc(-c4ccco4)n3)cc2)CC1)N1CCCC1 c1coc(c1)-c1nc(no1)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1])N1CCCC1
Cc1nc(-c2cc(C(=O)O[C@H](C)c3nccs3)co2)cs1 C[C@H](c1nccs1)[*:1] Cc1nc(cs1)-c1cc(co1)C(=O)O[*:1]
Cc1nc(-c2cc(C(=O)O[C@H](C)c3nccs3)co2)cs1 c1csc(n1)[*:1] Cc1nc(cs1)-c1cc(co1)C(=O)O[C@H](C)[*:1]
Cc1nc(-c2cc(C(=O)O[C@H](C)c3nccs3)co2)cs1 Cc1nc(cs1)[*:1] C[C@@H](OC(=O)c1coc(c1)[*:1])c1nccs1
CCOC(=O)[C@]1(C(F)(F)F)N=C(N(C)C)Oc2c1c(C)nn2-c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@@]1(N=C(Oc2c1c(C)nn2[*:1])N(C)C)C(F)(F)F
CCOC(=O)[C@]1(C(F)(F)F)N=C(N(C)C)Oc2c1c(C)nn2-c1ccccc1 CCOC(=O)[*:1] Cc1nn(-c2ccccc2)c2OC(=N[C@](c12)(C(F)(F)F)[*:1])N(C)C
CCOC(=O)[C@]1(C(F)(F)F)N=C(N(C)C)Oc2c1c(C)nn2-c1ccccc1 FC(F)(F)[*:1] CCOC(=O)[C@@]1(N=C(Oc2c1c(C)nn2-c1ccccc1)N(C)C)[*:1]
CCCNC(=O)/C(C#N)=C\c1cccc(F)c1 CCC[*:1] N#C/C(=C/c1cccc(F)c1)C(=O)N[*:1]
CCn1c(-c2ccccc2)c(-c2csc(CN3CCN(C(C)=O)CC3)n2)c2ccccc21 CC(=O)N1CCN(CC1)C[*:1] CCn1c(-c2ccccc2)c(-c2csc(n2)[*:1])c2ccccc21
CCn1c(-c2ccccc2)c(-c2csc(CN3CCN(C(C)=O)CC3)n2)c2ccccc21 CC(=O)N1CCN(CC1)[*:1] CCn1c(-c2ccccc2)c(-c2csc(C[*:1])n2)c2ccccc21
CCn1c(-c2ccccc2)c(-c2csc(CN3CCN(C(C)=O)CC3)n2)c2ccccc21 c1ccc(cc1)[*:1] CCn1c(c(-c2csc(CN3CCN(CC3)C(C)=O)n2)c2ccccc21)[*:1]
Cc1scc(C(=O)Nn2c(=S)[nH]c3sc4c(c3c2=O)CC[C@H](C)C4)c1C Cc1scc(c1C)[*:1] C[C@H]1CCc2c(C1)sc1[nH]c(=S)n(NC(=O)[*:1])c(=O)c21
Cc1cc(C[C@H](C)N[C@@H](C)c2ccccc2F)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@@H](C[*:1])N[C@@H](C)c1ccccc1F
Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)c1 C1CO[C@@H](C1)[*:1] Cc1ccc(OC[C@@H](O)CN2CCN(CC2)C(=O)[*:1])c(C)c1
Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)C[C@H](O)CO[*:1]
CC(C)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br CC(C)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1ccc(OC[*:1])c(Br)c1
CC(C)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br CC(C)C[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1ccc(O[*:1])c(Br)c1
CC(C)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br O=[N+]([O-])[*:1] CC(C)COc1ccc(cc1Br)C(=O)Nc1ccc(cc1)[*:1]
CC(C)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br CC(C)CO[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1ccc(c(Br)c1)[*:1]
O=C(O/N=C1/CCS(=O)(=O)c2sccc21)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(O/N=C1/CCS(=O)(=O)c2sccc21)[*:1]
Cc1cc2nc(NC3=[NH+][C@H](CC(=O)[O-])C(=O)N3)nc(C)c2cc1C O=C([O-])[*:1] Cc1cc2nc(nc(C)c2cc1C)NC1NC(=O)[C@@H](C[*:1])[NH+]=1
CC(=O)c1c(C)nc(C)nc1SCc1nc2ccc(F)cc2o1 CC(=O)[*:1] Cc1nc(C)c(c(n1)SCc1nc2ccc(F)cc2o1)[*:1]
Cc1ccc(CN(C(=O)C[NH+]2CCNC(=O)C2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)CN(C(=O)C[NH+]1CCNC(=O)C1)[*:1]
Cc1ccc(CN(C(=O)C[NH+]2CCNC(=O)C2)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C1C[NH+](CCN1)CC(=O)N(C[*:1])C1CC1
CCN(C(C)=O)c1nc(C[NH2+]Cc2cscc2C)cs1 CCN(C(C)=O)[*:1] Cc1cscc1C[NH2+]Cc1csc(n1)[*:1]
CCN(C(C)=O)c1nc(C[NH2+]Cc2cscc2C)cs1 Cc1cscc1[*:1] CCN(C(C)=O)c1nc(cs1)C[NH2+]C[*:1]
O=C(OCCOc1ccccc1F)c1cnc([C@H]2CCCO2)s1 Fc1ccccc1[*:1] O=C(OCCO[*:1])c1cnc(s1)[C@H]1CCCO1
Cc1cc(C(=O)N(C)CCCS(C)(=O)=O)c2cnn(C)c2n1 CS(=O)(=O)C[*:1] Cc1cc(C(=O)N(C)CC[*:1])c2cnn(C)c2n1
Cc1cc(C(=O)N(C)CCCS(C)(=O)=O)c2cnn(C)c2n1 CS(=O)(=O)[*:1] Cc1cc(C(=O)N(C)CCC[*:1])c2cnn(C)c2n1
Cc1cc(C(=O)N(C)CCCS(C)(=O)=O)c2cnn(C)c2n1 CS(=O)(=O)CC[*:1] Cc1cc(C(=O)N(C)C[*:1])c2cnn(C)c2n1
Cc1cc(C(=O)N(C)CCCS(C)(=O)=O)c2cnn(C)c2n1 CS(=O)(=O)CCC[*:1] Cc1cc(C(=O)N(C)[*:1])c2cnn(C)c2n1
COc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccc(C(C)=O)cc2)c1 CC(=O)[*:1] COc1ccc(OC)c(c1)[C@H](O)CNC(=O)Nc1ccc(cc1)[*:1]
CC[C@H](NC(=O)C(=O)c1cnn(-c2ccccc2)c1)c1nc(C)cs1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)C(=O)c1cnn(c1)[*:1])c1nc(C)cs1
CC[C@H](NC(=O)C(=O)c1cnn(-c2ccccc2)c1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@H](NC(=O)C(=O)c1cnn(c1)-c1ccccc1)[*:1]
Cc1cccc(Nc2nc3nccc(-c4ccccc4)c3c(=O)[nH]2)c1 Cc1cccc(c1)N[*:1] O=c1[nH]c(nc2nccc(-c3ccccc3)c12)[*:1]
Cc1cccc(Nc2nc3nccc(-c4ccccc4)c3c(=O)[nH]2)c1 Cc1cccc(c1)[*:1] O=c1[nH]c(nc2nccc(-c3ccccc3)c12)N[*:1]
Cc1cccc(Nc2nc3nccc(-c4ccccc4)c3c(=O)[nH]2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)Nc1nc2nccc(c2c(=O)[nH]1)[*:1]
CCOC[C@@H](O)CNc1nc2ccccc2c(=O)[nH]1 CCO[*:1] O=c1[nH]c(nc2ccccc12)NC[C@H](O)C[*:1]
CCOC[C@@H](O)CNc1nc2ccccc2c(=O)[nH]1 CCOC[*:1] O=c1[nH]c(nc2ccccc12)NC[C@H](O)[*:1]
CCOC[C@@H](O)CNc1nc2ccccc2c(=O)[nH]1 CCOC[C@@H](O)[*:1] O=c1[nH]c(nc2ccccc12)NC[*:1]
Cc1ccc([C@@H](O)C(C)(C)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](O)C(C)(C)C[*:1]
COC[C@H](C)NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O COC[C@H](C)[*:1] Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[*:1]
COC[C@H](C)NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O COC[*:1] Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@@H](C)[*:1]
CCNC(=O)c1sc2cccc(F)c2c1COC CCNC(=O)[*:1] COCc1c(sc2cccc(F)c12)[*:1]
CCNC(=O)c1sc2cccc(F)c2c1COC COC[*:1] CCNC(=O)c1sc2cccc(F)c2c1[*:1]
O[C@@H]1CCCN(c2nccn3nc(-c4ccc5c(c4)OCO5)cc23)C1 O[C@@H]1CCCN(C1)[*:1] c1cn2nc(cc2c(n1)[*:1])-c1ccc2OCOc2c1
[NH3+][C@@H](Cc1ccn(C2CCCC2)n1)c1cc(F)cc(Br)c1 C1CCC(C1)[*:1] [NH3+][C@@H](Cc1ccn(n1)[*:1])c1cc(F)cc(Br)c1
COc1cccc(CNC(=O)C[S@@](=O)Cc2ccccc2F)c1 Fc1ccccc1[*:1] COc1cccc(c1)CNC(=O)C[S@@](=O)C[*:1]
C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(Cl)cc1Cl C[C@@]1(CCCO1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc(Cl)cc1Cl
Cc1cc(C)cc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)c1 Cc1cc(C)cc(c1)[*:1] NC(=O)c1c(NC(=S)NC(=O)[*:1])sc2CCCc21
Cc1cc(C)cc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)c1 NC(=O)[*:1] Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1sc2CCCc2c1[*:1]
c1cnc(N2CCC[C@@H](C[NH2+]Cc3cccs3)C2)nc1 c1csc(c1)C[*:1] c1cnc(nc1)N1CCC[C@@H](C[NH2+][*:1])C1
c1cnc(N2CCC[C@@H](C[NH2+]Cc3cccs3)C2)nc1 c1csc(c1)[*:1] c1cnc(nc1)N1CCC[C@@H](C[NH2+]C[*:1])C1
c1cnc(N2CCC[C@@H](C[NH2+]Cc3cccs3)C2)nc1 c1cnc(nc1)[*:1] c1csc(c1)C[NH2+]C[C@@H]1CCCN(C1)[*:1]
CCCCCNC(=O)N(Cc1ccccc1)C1CC1 CCCCC[*:1] O=C(N[*:1])N(Cc1ccccc1)C1CC1
CCCCCNC(=O)N(Cc1ccccc1)C1CC1 CCC[*:1] O=C(NCC[*:1])N(Cc1ccccc1)C1CC1
CCCCCNC(=O)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] CCCCCNC(=O)N(C[*:1])C1CC1
CCCCCNC(=O)N(Cc1ccccc1)C1CC1 CCCC[*:1] O=C(NC[*:1])N(Cc1ccccc1)C1CC1
CCCCCNC(=O)N(Cc1ccccc1)C1CC1 C1CC1[*:1] CCCCCNC(=O)N(Cc1ccccc1)[*:1]
Cc1ccc2c(=O)c(C(=O)OCC(=O)N(C)Cc3ccc(Cl)s3)cn(C)c2n1 Clc1ccc(C[*:1])s1 Cc1ccc2c(=O)c(cn(C)c2n1)C(=O)OCC(=O)N(C)[*:1]
Cc1ccc2c(=O)c(C(=O)OCC(=O)N(C)Cc3ccc(Cl)s3)cn(C)c2n1 Clc1ccc(s1)[*:1] Cc1ccc2c(=O)c(cn(C)c2n1)C(=O)OCC(=O)N(C)C[*:1]
COc1ccc2c(c1OC)C(=O)O[C@@H]2NC(N)=O NC(=O)N[*:1] COc1ccc2c(C(=O)O[C@H]2[*:1])c1OC
O=C(NCC1(CN2CCOCC2)CCCCC1)c1scnc1C1CC1 C1CN(CCO1)[*:1] O=C(NCC1(CCCCC1)C[*:1])c1scnc1C1CC1
O=C(NCC1(CN2CCOCC2)CCCCC1)c1scnc1C1CC1 C1CN(CCO1)C[*:1] O=C(NCC1(CCCCC1)[*:1])c1scnc1C1CC1
O=C(NCC1(CN2CCOCC2)CCCCC1)c1scnc1C1CC1 C1CC1[*:1] O=C(NCC1(CCCCC1)CN1CCOCC1)c1scnc1[*:1]
O=C(NCC1(CN2CCOCC2)CCCCC1)c1scnc1C1CC1 c1nc(c(s1)[*:1])C1CC1 O=C(NCC1(CCCCC1)CN1CCOCC1)[*:1]
C=CCc1ccc(OCC(=O)n2nc(C)c(Cl)c2C)c(OC)c1 C=CC[*:1] COc1cc(ccc1OCC(=O)n1nc(C)c(Cl)c1C)[*:1]
CC1=C[C@@H]([C@H]2NN[C@H](S)N2/N=C/c2cc([N+](=O)[O-])ccc2Cl)N=N1 O=[N+]([O-])[*:1] CC1=C[C@H](N=N1)[C@H]1NN[C@H](S)N1/N=C/c1cc(ccc1Cl)[*:1]
C=CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 Cc1ccc(cc1)[*:1] C=CCSc1nc2NC3CCCC(=O)C=3[C@@H](n2n1)[*:1]
C=CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 C=CCS[*:1] Cc1ccc(cc1)[C@@H]1C2C(=O)CCCC=2Nc2nc(nn21)[*:1]
C=CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 C=CC[*:1] Cc1ccc(cc1)[C@@H]1C2C(=O)CCCC=2Nc2nc(nn21)S[*:1]
Cc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3CC(C)C)n2)c1 Cc1cccc(c1)C(=O)N[*:1] CC(C)Cn1cnc2nc(cc(=O)n21)CSc1ccccc1[*:1]
Cc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3CC(C)C)n2)c1 Cc1cccc(c1)[*:1] CC(C)Cn1cnc2nc(cc(=O)n21)CSc1ccccc1NC(=O)[*:1]
Cc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3CC(C)C)n2)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)Nc1ccccc1SCc1cc(=O)n2c(ncn2C[*:1])n1
Cc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3c(ncn3CC(C)C)n2)c1 CC(C)C[*:1] Cc1cccc(c1)C(=O)Nc1ccccc1SCc1cc(=O)n2c(ncn2[*:1])n1
Cc1nc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)nn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1nc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)nn1-c1ccc(F)cc1 C1CN(CCO1)[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(F)cc1)[*:1]
Cc1nc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)nn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(nn1[*:1])C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1
C[C@@H]1CC[C@@H](C)N(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)/C=C/c1ccc(F)cc1[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)c1cnn(-c2ccccc2F)c1C CNC(=O)[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)N[C@@H](CC(C)C)[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)c1cnn(-c2ccccc2F)c1C CC(C)[*:1] CNC(=O)[C@H](C[*:1])NC(=O)c1cnn(-c2ccccc2F)c1C
CNC(=O)[C@H](CC(C)C)NC(=O)c1cnn(-c2ccccc2F)c1C Fc1ccccc1[*:1] CNC(=O)[C@H](CC(C)C)NC(=O)c1cnn(c1C)[*:1]
CNC(=O)[C@H](CC(C)C)NC(=O)c1cnn(-c2ccccc2F)c1C CC(C)C[*:1] CNC(=O)[C@H](NC(=O)c1cnn(-c2ccccc2F)c1C)[*:1]
CC[C@H](CCO)NC(=O)[C@@H](C)NC(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] CC[C@H](CCO)NC(=O)[C@@H](C)NC(=O)[*:1]
CC[C@H](CCO)NC(=O)[C@@H](C)NC(=O)c1cccc(C)c1 OCC[*:1] CC[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc(C)c1)[*:1]
CC[C@H](CCO)NC(=O)[C@@H](C)NC(=O)c1cccc(C)c1 CC[C@H](CCO)[*:1] Cc1cccc(c1)C(=O)N[C@H](C)C(=O)N[*:1]
CCC[NH2+][C@H](Cc1ccccn1)[C@@H]1CSCCO1 c1ccc(nc1)[*:1] CCC[NH2+][C@H](C[*:1])[C@@H]1CSCCO1
CCC[NH2+][C@H](Cc1ccccn1)[C@@H]1CSCCO1 CCC[*:1] c1ccc(C[C@@H]([NH2+][*:1])[C@@H]2CSCCO2)nc1
CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCCc1cccs1 c1csc(c1)C[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C(=O)NC[*:1])S(=O)(=O)N1CCOCC1
CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCCc1cccs1 c1csc(c1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C(=O)NCC[*:1])S(=O)(=O)N1CCOCC1
CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCCc1cccs1 O=S(=O)(N1CCOCC1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C(=O)NCCc1cccs1)[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCCc1cccs1 c1csc(c1)CC[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C(=O)N[*:1])S(=O)(=O)N1CCOCC1
CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCCc1cccs1 O=C(NCCc1cccs1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1[*:1])S(=O)(=O)N1CCOCC1
Cc1cccc(CCC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 Cc1cccc(c1)[*:1] O=C(CC[*:1])N1CCC[C@H]1c1nnc2CCCCCn21
Cc1cccc(CCC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 Cc1cccc(c1)C[*:1] O=C(C[*:1])N1CCC[C@H]1c1nnc2CCCCCn21
CC(C)COC(=O)N1CCC[C@@H]1[C@@H]1CCCC1=O CC(C)C[*:1] O=C1CCC[C@H]1[C@H]1CCCN1C(=O)O[*:1]
CC(C)COC(=O)N1CCC[C@@H]1[C@@H]1CCCC1=O O=C1CCC[C@H]1[*:1] CC(C)COC(=O)N1CCC[C@H]1[*:1]
CC(C)COC(=O)N1CCC[C@@H]1[C@@H]1CCCC1=O CC(C)[*:1] O=C1CCC[C@H]1[C@H]1CCCN1C(=O)OC[*:1]
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N2CCCC2)nc1 C1CCN(C1)[*:1] C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(nc1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)Cn2ccc3c([N+](=O)[O-])cccc32)C1 CC(=O)N[*:1] O=C(Cn1ccc2c(cccc21)[N+](=O)[O-])N1CCC[C@@H](C1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)Cn2ccc3c([N+](=O)[O-])cccc32)C1 O=[N+]([O-])[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)Cn1ccc2c(cccc21)[*:1]
C[C@H](NC(=O)Cn1c(=S)[nH]c2ccccc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cn1c(=S)[nH]c2ccccc2c1=O)[*:1]
C[C@H](NC(=O)Cn1c(=S)[nH]c2ccccc2c1=O)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(Cn1c(=S)[nH]c2ccccc2c1=O)N[*:1]
CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)c3ccsc3)CCO2)n1 c1cc(cs1)[*:1] CC(C)(C)c1n[nH]c(n1)[C@H]1CN(CCO1)C(=O)[*:1]
CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)c3ccsc3)CCO2)n1 CC(C)(C)[*:1] O=C(c1ccsc1)N1CCO[C@H](C1)c1nc(n[nH]1)[*:1]
N#Cc1csc(C[NH2+][C@H](c2ccccc2)c2ccco2)c1 N#Cc1csc(c1)[*:1] c1ccc(cc1)[C@@H]([NH2+]C[*:1])c1ccco1
N#Cc1csc(C[NH2+][C@H](c2ccccc2)c2ccco2)c1 c1coc(c1)[*:1] N#Cc1csc(c1)C[NH2+][C@H](c1ccccc1)[*:1]
N#Cc1csc(C[NH2+][C@H](c2ccccc2)c2ccco2)c1 c1ccc(cc1)[*:1] N#Cc1csc(c1)C[NH2+][C@H](c1ccco1)[*:1]
Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1=O O=[N+]([O-])[*:1] Cn1cc(cc(Br)c1=O)NC(=O)c1ccc(cc1)[*:1]
O=C(COc1ccc(Br)cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1)N[C@H](C[NH+]1CCCC1)[*:1]
O=C(COc1ccc(Br)cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 Brc1ccc(cc1)O[*:1] O=C(C[*:1])N[C@H](C[NH+]1CCCC1)c1ccccc1
O=C(COc1ccc(Br)cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 Brc1ccc(cc1)[*:1] O=C(CO[*:1])N[C@H](C[NH+]1CCCC1)c1ccccc1
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(c1)[*:1]
C[C@H](Sc1ccccc1)C(=O)NC(=O)Nc1ccccc1F c1ccc(cc1)S[*:1] C[C@H](C(=O)NC(=O)Nc1ccccc1F)[*:1]
C[C@H](Sc1ccccc1)C(=O)NC(=O)Nc1ccccc1F c1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)NC(=O)Nc1ccccc1F
C[C@H](Sc1ccccc1)C(=O)NC(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@H](Sc1ccccc1)C(=O)NC(=O)N[*:1]
CCCn1cc(NC(=O)c2sc3ccccc3c2Cl)cn1 CCC[*:1] O=C(Nc1cnn(c1)[*:1])c1sc2ccccc2c1Cl
Cc1cccc2c(C(F)(F)F)cc(C(=O)[O-])nc12 O=C([O-])[*:1] Cc1cccc2c(cc(nc12)[*:1])C(F)(F)F
Cc1cccc2c(C(F)(F)F)cc(C(=O)[O-])nc12 FC(F)(F)[*:1] Cc1cccc2c(cc(nc12)C(=O)[O-])[*:1]
Cc1ccc([C@@H]2CN([C@@H](C)C(=O)Nc3ccccc3F)CCO2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](C(=O)Nc1ccccc1F)N1CCO[C@@H](C1)[*:1]
Cc1ccc([C@@H]2CN([C@@H](C)C(=O)Nc3ccccc3F)CCO2)c(C)c1 Fc1ccccc1[*:1] Cc1ccc(c(C)c1)[C@@H]1CN(CCO1)[C@@H](C)C(=O)N[*:1]
CCOc1ccccc1C[NH+](CC)CC1CC[NH2+]CC1 CCO[*:1] CC[NH+](Cc1ccccc1[*:1])CC1CC[NH2+]CC1
C[C@@H]1CC(Nc2ccc(N3CCCC3=O)c(F)c2)C[C@@H](C)O1 O=C1CCCN1[*:1] C[C@@H]1CC(C[C@@H](C)O1)Nc1ccc(c(F)c1)[*:1]
O=C([O-])c1csc(CN[C@H]2CCSc3ccc(F)cc32)c1 O=C([O-])[*:1] Fc1ccc2SCC[C@H](NCc3cc(cs3)[*:1])c2c1
CC[NH2+][C@@H](c1cc(F)ccc1Br)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] CC[NH2+][C@@H](c1cc(F)ccc1Br)[C@H](C)[*:1]
Cc1ccc(CN(C)C(=O)CN2C(=O)C[C@@H](C)C2=O)o1 Cc1ccc(o1)[*:1] C[C@@H]1CC(=O)N(CC(=O)N(C)C[*:1])C1=O
CC(C)[C@@H](CNC(=O)c1ccccc1O)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)c1ccccc1O)[*:1]
CC(C)[C@@H](CNC(=O)c1ccccc1O)N1CC[NH+](C)CC1 Oc1ccccc1[*:1] CC(C)[C@@H](CNC(=O)[*:1])N1CC[NH+](C)CC1
COc1ccc(C2(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)CCOCC2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C1(CCOCC1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
COc1ccc(C2(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)C1(CCOCC1)[*:1])[NH+](C)C
C[C@H](Cc1ccco1)NC(=O)N(Cc1cccs1)C[C@H]1CCCO1 c1coc(c1)[*:1] C[C@H](C[*:1])NC(=O)N(Cc1cccs1)C[C@H]1CCCO1
C[C@H](Cc1ccco1)NC(=O)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)[*:1] C[C@H](Cc1ccco1)NC(=O)N(C[C@H]1CCCO1)C[*:1]
C[C@H](Cc1ccco1)NC(=O)N(Cc1cccs1)C[C@H]1CCCO1 c1csc(c1)C[*:1] C[C@H](Cc1ccco1)NC(=O)N(C[C@H]1CCCO1)[*:1]
C[C@H](Cc1ccco1)NC(=O)N(Cc1cccs1)C[C@H]1CCCO1 c1coc(c1)C[*:1] C[C@H](NC(=O)N(Cc1cccs1)C[C@H]1CCCO1)[*:1]
C[C@H](Cc1ccco1)NC(=O)N(Cc1cccs1)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] C[C@H](Cc1ccco1)NC(=O)N(Cc1cccs1)[*:1]
C[C@H](Cc1ccco1)NC(=O)N(Cc1cccs1)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](Cc1ccco1)NC(=O)N(Cc1cccs1)C[*:1]
C[C@H](Cc1ccco1)NC(=O)N(Cc1cccs1)C[C@H]1CCCO1 C[C@H](Cc1ccco1)[*:1] O=C(N[*:1])N(Cc1cccs1)C[C@H]1CCCO1
Cc1ccc(C(C)(C)/C([O-])=N/S(=O)(=O)c2ccc(C)cc2F)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(c(F)c1)S(=O)(=O)/N=C(\[O-])C(C)(C)[*:1]
Cc1ccc(C(C)(C)/C([O-])=N/S(=O)(=O)c2ccc(C)cc2F)cc1 Cc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)C(C)(C)/C([O-])=N/S(=O)(=O)[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)c2ccccc2Cn2cncn2)c1 Cc1cccc(c1)O[*:1] C[C@H](C[*:1])NC(=O)c1ccccc1Cn1cncn1
Cc1cccc(OC[C@@H](C)NC(=O)c2ccccc2Cn2cncn2)c1 c1ncn(C[*:1])n1 Cc1cccc(c1)OC[C@@H](C)NC(=O)c1ccccc1[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)c2ccccc2Cn2cncn2)c1 c1ncn(n1)[*:1] Cc1cccc(c1)OC[C@@H](C)NC(=O)c1ccccc1C[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)c2ccccc2Cn2cncn2)c1 Cc1cccc(c1)[*:1] C[C@H](CO[*:1])NC(=O)c1ccccc1Cn1cncn1
Cc1ccccc1-c1nnc2sc(-c3ccc([N+](=O)[O-])cc3)nn12 O=[N+]([O-])[*:1] Cc1ccccc1-c1nnc2sc(nn12)-c1ccc(cc1)[*:1]
Cc1ccccc1-c1nnc2sc(-c3ccc([N+](=O)[O-])cc3)nn12 Cc1ccccc1[*:1] O=[N+]([O-])c1ccc(cc1)-c1nn2c(nnc2s1)[*:1]
C/C=C(/C)C(=O)NCc1cccc([N+](=O)[O-])c1 CC=C(C)[*:1] O=C(NCc1cccc(c1)[N+](=O)[O-])[*:1]
C/C=C(/C)C(=O)NCc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C=C(/C)C(=O)NCc1cccc(c1)[*:1]
COc1ccc(-n2nnnc2SCC(=O)N[C@@H](C)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-n1nnnc1SCC(=O)N[C@@H](C)[*:1]
COc1ccc(-n2nnnc2SCC(=O)N[C@@H](C)c2ccccc2Cl)cc1 C[C@@H](c1ccccc1Cl)[*:1] COc1ccc(cc1)-n1nnnc1SCC(=O)N[*:1]
COc1ccc(-n2nnnc2SCC(=O)N[C@@H](C)c2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nnnn1[*:1])c1ccccc1Cl
C=CCOc1ccc(/C=C2\SC(=O)N(CN3CCCCC3)C2=O)cc1 C=CC[*:1] O=C1S/C(=C\c2ccc(cc2)O[*:1])C(=O)N1CN1CCCCC1
C=CCOc1ccc(/C=C2\SC(=O)N(CN3CCCCC3)C2=O)cc1 C1CCN(CC1)[*:1] C=CCOc1ccc(/C=C2\SC(=O)N(C[*:1])C2=O)cc1
C=CCOc1ccc(/C=C2\SC(=O)N(CN3CCCCC3)C2=O)cc1 C=CCO[*:1] O=C1S/C(=C\c2ccc(cc2)[*:1])C(=O)N1CN1CCCCC1
C=CCOc1ccc(/C=C2\SC(=O)N(CN3CCCCC3)C2=O)cc1 C1CCN(CC1)C[*:1] C=CCOc1ccc(/C=C2\SC(=O)N(C2=O)[*:1])cc1
O=C(Nc1c(F)cccc1N1CCCC1)c1ccc(-n2cccc2)nc1 C1CCN(C1)[*:1] O=C(Nc1c(F)cccc1[*:1])c1ccc(nc1)-n1cccc1
O=C(Nc1c(F)cccc1N1CCCC1)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] O=C(Nc1c(F)cccc1N1CCCC1)c1ccc(nc1)[*:1]
Cc1noc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 Cc1noc(C[*:1])n1 O=C(C[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
Cc1noc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 Cc1noc(n1)[*:1] O=C(CC[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
Cc1noc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 FC(F)(F)[*:1] Cc1noc(CCC(=O)Nc2ccc(Cl)c(c2)[*:1])n1
Cc1noc(Cl)c1CCC(=O)Oc1cccc(NC(=O)c2cnn(C)c2)c1 Cn1cc(cn1)[*:1] Cc1noc(Cl)c1CCC(=O)Oc1cccc(c1)NC(=O)[*:1]
Cc1noc(Cl)c1CCC(=O)Oc1cccc(NC(=O)c2cnn(C)c2)c1 Cc1noc(Cl)c1[*:1] Cn1cc(cn1)C(=O)Nc1cccc(c1)OC(=O)CC[*:1]
Cc1noc(Cl)c1CCC(=O)Oc1cccc(NC(=O)c2cnn(C)c2)c1 Cc1noc(Cl)c1C[*:1] Cn1cc(cn1)C(=O)Nc1cccc(c1)OC(=O)C[*:1]
Cc1noc(Cl)c1CCC(=O)Oc1cccc(NC(=O)c2cnn(C)c2)c1 Cn1cc(cn1)C(=O)N[*:1] Cc1noc(Cl)c1CCC(=O)Oc1cccc(c1)[*:1]
Cc1noc(Cl)c1CCC(=O)Oc1cccc(NC(=O)c2cnn(C)c2)c1 Cc1noc(Cl)c1CC[*:1] Cn1cc(cn1)C(=O)Nc1cccc(c1)OC(=O)[*:1]
O=C(NNc1cccc(C(F)(F)F)n1)c1cc(F)ccc1O FC(F)(F)[*:1] O=C(NNc1cccc(n1)[*:1])c1cc(F)ccc1O
COc1ccccc1S[C@H](C(=O)N1CCC[C@@H](C)C1)C(C)C CC(C)[*:1] COc1ccccc1S[C@H](C(=O)N1CCC[C@@H](C)C1)[*:1]
CC(C)(C)[C@H](O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 CC(C)(C)[*:1] N#Cc1cccc(c1)C[NH+]1CCN(CC1)C[C@@H](O)[*:1]
CC(C)(C)[C@H](O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 CC(C)(C)[C@H](O)C[*:1] N#Cc1cccc(c1)C[NH+]1CCN(CC1)[*:1]
CC(C)(C)[C@H](O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 CC(C)(C)[C@H](O)[*:1] N#Cc1cccc(c1)C[NH+]1CCN(CC1)C[*:1]
C[NH2+][C@@H](CCC(F)(F)F)Cc1ccc(F)cc1Br FC(F)(F)CC[*:1] C[NH2+][C@@H](Cc1ccc(F)cc1Br)[*:1]
C[NH2+][C@@H](CCC(F)(F)F)Cc1ccc(F)cc1Br FC(F)(F)C[*:1] C[NH2+][C@H](Cc1ccc(F)cc1Br)C[*:1]
C[NH2+][C@@H](CCC(F)(F)F)Cc1ccc(F)cc1Br FC(F)(F)[*:1] C[NH2+][C@@H](CC[*:1])Cc1ccc(F)cc1Br
Nc1cccc(Cl)c1SCC(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Nc1cccc(Cl)c1SCC(=O)N[*:1]
Nc1cccc(Cl)c1SCC(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Nc1cccc(Cl)c1SCC(=O)NC[*:1]
COc1ccc(CN(C)C(=O)NCCc2ccccc2Cl)cc1O Clc1ccccc1C[*:1] COc1ccc(cc1O)CN(C)C(=O)NC[*:1]
COc1ccc(CN(C)C(=O)NCCc2ccccc2Cl)cc1O Clc1ccccc1[*:1] COc1ccc(cc1O)CN(C)C(=O)NCC[*:1]
Cc1ccc(C(=O)N(CCO)Cc2ccsc2)c(O)c1 OCC[*:1] Cc1ccc(C(=O)N(Cc2ccsc2)[*:1])c(O)c1
Cc1ccc(C(=O)N(CCO)Cc2ccsc2)c(O)c1 c1cc(cs1)[*:1] Cc1ccc(C(=O)N(CCO)C[*:1])c(O)c1
Cc1ccc(C(=O)N(CCO)Cc2ccsc2)c(O)c1 c1cc(cs1)C[*:1] Cc1ccc(C(=O)N(CCO)[*:1])c(O)c1
Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)N[*:1]
Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)N1CCC[C@H]1C(=O)N[*:1]
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@H](O)C1CCCC1 C1CCC(C1)[*:1] Cc1nn(cc1[C@@H](C)[NH2+]C[C@H](O)[*:1])C(C)(C)C
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@H](O)C1CCCC1 CC(C)(C)[*:1] Cc1nn(cc1[C@@H](C)[NH2+]C[C@H](O)C1CCCC1)[*:1]
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@H](O)C1CCCC1 O[C@H](C1CCCC1)[*:1] Cc1nn(cc1[C@@H](C)[NH2+]C[*:1])C(C)(C)C
COc1cc(C)c([C@H](C)NC(=O)NCc2ccc(C#N)cc2)cc1OC N#Cc1ccc(cc1)[*:1] COc1cc(C)c(cc1OC)[C@H](C)NC(=O)NC[*:1]
CN(CCc1cccs1)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] CN(CCc1cccs1)C(=O)[C@H]1C[C@H]1[*:1]
CN(CCc1cccs1)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl c1csc(c1)C[*:1] CN(C[*:1])C(=O)[C@H]1C[C@@H]1c1ccccc1Cl
CN(CCc1cccs1)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl c1csc(c1)[*:1] CN(CC[*:1])C(=O)[C@H]1C[C@@H]1c1ccccc1Cl
CN(CCc1cccs1)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl c1csc(c1)CC[*:1] CN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)[*:1]
Cc1ccc(CNC(=O)c2ccc(=O)n(C)c2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)c2ccc(=O)n(C)c2)c(c1)[*:1]
O=C(NCC1CC[NH+](Cc2ccsc2)CC1)C(=O)Nc1ccccc1C(F)(F)F c1cc(cs1)[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])C(=O)Nc1ccccc1C(F)(F)F
O=C(NCC1CC[NH+](Cc2ccsc2)CC1)C(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(NCC1CC[NH+](CC1)Cc1ccsc1)C(=O)Nc1ccccc1[*:1]
Cc1c(Cl)c(C(=O)N[C@@H](C)[C@H]2CCCO2)nn1C C1CO[C@H](C1)[*:1] Cc1c(Cl)c(nn1C)C(=O)N[C@@H](C)[*:1]
Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(CC(C)C)cc1 Cc1noc(C)c1[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1[*:1]
Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(CC(C)C)cc1 CC(C)C[*:1] Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(CC(C)C)cc1 CC(C)[*:1] Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)C[*:1]
CC(C)(C)/C=C/C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Fc1ccc(cc1)C[*:1] CC(C)(C)/C=C/C(=O)Nc1cccn(c1=O)[*:1]
CC(C)(C)/C=C/C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O CC(C)(C)[*:1] O=C(C=C[*:1])Nc1cccn(Cc2ccc(F)cc2)c1=O
CC(C)(C)/C=C/C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O CC(C)(C)C=C[*:1] O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)[*:1]
CC(C)(C)/C=C/C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O Fc1ccc(cc1)[*:1] CC(C)(C)/C=C/C(=O)Nc1cccn(C[*:1])c1=O
CNC(=O)NC(=O)[C@@H](C)Oc1csc(C(=O)[O-])c1 O=C([O-])[*:1] CNC(=O)NC(=O)[C@@H](C)Oc1csc(c1)[*:1]
COC(=O)c1cccc(NCc2ccc(C)c(F)c2)n1 COC(=O)[*:1] Cc1ccc(cc1F)CNc1cccc(n1)[*:1]
CC(C)c1ncc2c(n1)C[NH+](Cc1nc(-c3cccnc3)no1)CC2 CC(C)[*:1] c1cncc(c1)-c1noc(C[NH+]2CCc3cnc(nc3C2)[*:1])n1
CC(C)c1ncc2c(n1)C[NH+](Cc1nc(-c3cccnc3)no1)CC2 c1cncc(c1)[*:1] CC(C)c1ncc2CC[NH+](Cc3nc(no3)[*:1])Cc2n1
COc1ccccc1S(=O)(=O)N[C@@H](C)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1S(=O)(=O)N[C@@H](C)[C@@H](C)[*:1]
C[C@@H](NC(=O)C[C@H]1CCc2ccccc21)c1noc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)C[C@H]1CCc2ccccc21)c1noc(n1)[*:1]
C[C@@H](NC(=O)C[C@H]1CCc2ccccc21)c1noc(Cc2ccccc2)n1 c1ccc2c(c1)CC[C@@H]2[*:1] C[C@@H](NC(=O)C[*:1])c1noc(Cc2ccccc2)n1
C[C@@H](NC(=O)C[C@H]1CCc2ccccc21)c1noc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C[C@H]1CCc2ccccc21)c1noc(C[*:1])n1
CN1C(=O)[C@](C)(C(=O)NC[C@H](O)c2ccccc2)Sc2ccccc21 c1ccc(cc1)[*:1] CN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)NC[C@H](O)[*:1]
CN1C(=O)[C@](C)(C(=O)NC[C@H](O)c2ccccc2)Sc2ccccc21 O[C@H](c1ccccc1)[*:1] CN1C(=O)[C@@](C)(Sc2ccccc21)C(=O)NC[*:1]
CCCC[C@@]1(CC)CC(=O)NC(=O)[C@@H]1CC(C)C CCCC[*:1] CC[C@]1(CC(=O)NC(=O)[C@@H]1CC(C)C)[*:1]
CCCC[C@@]1(CC)CC(=O)NC(=O)[C@@H]1CC(C)C CC(C)[*:1] CCCC[C@@]1(CC)CC(=O)NC(=O)[C@@H]1C[*:1]
CCCC[C@@]1(CC)CC(=O)NC(=O)[C@@H]1CC(C)C CC(C)C[*:1] CCCC[C@@]1(CC)CC(=O)NC(=O)[C@H]1[*:1]
CCCC[C@@]1(CC)CC(=O)NC(=O)[C@@H]1CC(C)C CCC[*:1] CC[C@@]1(CC(=O)NC(=O)[C@@H]1CC(C)C)C[*:1]
CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N2CCCC2)c1 CC(=O)N[*:1] O=C(Nc1cc(ccc1Cl)[*:1])C(=O)N1CCCC1
CC(C)c1nc(N2CCC(C)(C)CC2)sc1C=O CC(C)[*:1] CC1(C)CCN(CC1)c1nc(c(C=O)s1)[*:1]
COC(=O)[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C(C)C)C1 CC(C)[*:1] COC(=O)[C@@H]1CCN(C1)c1c(c(C)nn1[*:1])[N+](=O)[O-]
COC(=O)[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C(C)C)C1 COC(=O)[*:1] Cc1nn(c(c1[N+](=O)[O-])N1CC[C@H](C1)[*:1])C(C)C
COC(=O)[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C(C)C)C1 O=[N+]([O-])[*:1] COC(=O)[C@@H]1CCN(C1)c1c(c(C)nn1C(C)C)[*:1]
CCOC(=O)C1=C(C)C(C(=O)CSc2nnnn2C)=N[C@@H]1C Cn1nnnc1[*:1] CCOC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)CS[*:1]
CCOC(=O)C1=C(C)C(C(=O)CSc2nnnn2C)=N[C@@H]1C Cn1nnnc1S[*:1] CCOC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)C[*:1]
CCOC(=O)C1=C(C)C(C(=O)CSc2nnnn2C)=N[C@@H]1C CCOC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)CSc1nnnn1C
CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)sc2c1CCCCC2 CCOC(=O)[*:1] O=C(Nc1sc2CCCCCc2c1[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1cccs1
CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)sc2c1CCCCC2 c1csc(c1)[*:1] CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)[*:1])sc2CCCCCc21
CSc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 NS(=O)(=O)c1ccc(cc1)[*:1] CSc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CSc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 CSc1ccccc1[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CSc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 NS(=O)(=O)[*:1] CSc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc2ccc(NC(=O)c3ccncc3)cc2c(=O)n1Cc1ccc(F)cc1 O=C(N[*:1])c1ccncc1 Cc1nc2ccc(cc2c(=O)n1Cc1ccc(F)cc1)[*:1]
Cc1nc2ccc(NC(=O)c3ccncc3)cc2c(=O)n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc2ccc(cc2c(=O)n1C[*:1])NC(=O)c1ccncc1
Cc1nc2ccc(NC(=O)c3ccncc3)cc2c(=O)n1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1nc2ccc(cc2c(=O)n1[*:1])NC(=O)c1ccncc1
Cc1nc2ccc(NC(=O)c3ccncc3)cc2c(=O)n1Cc1ccc(F)cc1 c1cc(ccn1)[*:1] Cc1nc2ccc(cc2c(=O)n1Cc1ccc(F)cc1)NC(=O)[*:1]
Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)no1 Cc1cc(no1)[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)N[*:1])c1ccc(F)cc1
Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)no1 Fc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C(=O)NC[C@@H]([NH+](C)C)[*:1]
c1cc(Cn2cnc3ccccc32)cc(NCc2cscn2)c1 c1nc(cs1)CN[*:1] c1cc(cc(c1)[*:1])Cn1cnc2ccccc21
c1cc(Cn2cnc3ccccc32)cc(NCc2cscn2)c1 c1nc(cs1)[*:1] c1cc(cc(c1)NC[*:1])Cn1cnc2ccccc21
c1cc(Cn2cnc3ccccc32)cc(NCc2cscn2)c1 c1nc(cs1)C[*:1] c1cc(cc(c1)N[*:1])Cn1cnc2ccccc21
Fc1cc([C@@H]2OCC[C@H]2C[NH2+]C2CC2)ccc1Cl C1CC1[*:1] Fc1cc(ccc1Cl)[C@@H]1OCC[C@H]1C[NH2+][*:1]
CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N2CCN(c3ccccc3F)CC2)c1 Fc1ccccc1[*:1] CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(c1)C(=O)N1CCN(CC1)[*:1]
CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N2CCN(c3ccccc3F)CC2)c1 CC(C)CC[*:1] O=C(NC1CCCC1)c1cn(cc(C(=O)N2CCN(CC2)c2ccccc2F)c1=O)[*:1]
CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N2CCN(c3ccccc3F)CC2)c1 CC(C)C[*:1] O=C(NC1CCCC1)c1cn(cc(C(=O)N2CCN(CC2)c2ccccc2F)c1=O)C[*:1]
CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N2CCN(c3ccccc3F)CC2)c1 C1CCC(C1)[*:1] CC(C)CCn1cc(C(=O)N[*:1])c(=O)c(c1)C(=O)N1CCN(CC1)c1ccccc1F
CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N2CCN(c3ccccc3F)CC2)c1 O=C(NC1CCCC1)[*:1] CC(C)CCn1cc(C(=O)N2CCN(CC2)c2ccccc2F)c(=O)c(c1)[*:1]
CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)N2CCN(c3ccccc3F)CC2)c1 CC(C)[*:1] O=C(NC1CCCC1)c1cn(cc(C(=O)N2CCN(CC2)c2ccccc2F)c1=O)CC[*:1]
Cc1ccc(C)c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)c1 Clc1ccc(s1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1]
Cc1ccc(C)c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1
COc1ccc(-n2nc(C(=O)N(C)[C@@H]3CCC[C@H]3SC)cc2C)cc1 COc1ccc(cc1)[*:1] CS[C@@H]1CCC[C@H]1N(C)C(=O)c1cc(C)n(n1)[*:1]
Cc1ccccc1-c1noc([C@@H]2CCCN2C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccccc1-c1noc(n1)[C@@H]1CCCN1C(=O)CNC(=O)C(c1ccccc1)[*:1]
Cc1ccccc1-c1noc([C@@H]2CCCN2C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)n1 Cc1ccccc1[*:1] O=C(NCC(=O)N1CCC[C@H]1c1nc(no1)[*:1])C(c1ccccc1)c1ccccc1
Cc1ccccc1-c1noc([C@@H]2CCCN2C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)n1 Cc1ccccc1-c1noc(n1)[*:1] O=C(NCC(=O)N1CCC[C@H]1[*:1])C(c1ccccc1)c1ccccc1
Cc1cc([O-])nc(SCc2nnnn2-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc([O-])nc(n1)SCc1nnnn1[*:1]
COc1ccccc1Oc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccccc1Oc1ccc(cc1)NC(=O)C[*:1]
COc1ccccc1Oc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] COc1ccccc1Oc1ccc(cc1)NC(=O)[*:1]
COc1ccccc1Oc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 COc1ccccc1[*:1] O=C(Cc1ccc(F)cc1)Nc1ccc(cc1)O[*:1]
C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(N2C[C@@H](NC(=O)Nc3cc(C)ccn3)CC2=O)cc1 Cc1ccnc(c1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)NC(=O)N[*:1]
Cc1ccc(N2C[C@@H](NC(=O)Nc3cc(C)ccn3)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccnc(c1)NC(=O)N[C@H]1CC(=O)N(C1)[*:1]
CCC[C@@H]([NH2+]CC1(C)COC1)c1ccccc1 CCC[*:1] CC1(C[NH2+][C@@H](c2ccccc2)[*:1])COC1
CCC[C@@H]([NH2+]CC1(C)COC1)c1ccccc1 CC1(COC1)[*:1] CCC[C@@H]([NH2+]C[*:1])c1ccccc1
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccc(C)c3O)n[nH]2)cc1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(n[nH]1)-c1cccc(C)c1O)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccc(C)c3O)n[nH]2)cc1 Cc1cccc(c1O)[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(n[nH]1)[*:1]
CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCSC(C)(C)C1 c1coc(c1)[*:1] CSCC[C@H](NC(=O)[*:1])C(=O)N1CCSC(C)(C)C1
CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCSC(C)(C)C1 CSCC[*:1] CC1(C)CN(CCS1)C(=O)[C@@H](NC(=O)c1ccco1)[*:1]
CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCSC(C)(C)C1 CSC[*:1] CC1(C)CN(CCS1)C(=O)[C@H](C[*:1])NC(=O)c1ccco1
CCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 CCCCN[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)[*:1])-c1ccco1
CCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 CCCC[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)N[*:1])-c1ccco1
CCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 CCC[*:1] CC1(C)Cc2c(CO1)c(nc1sc3c(ncnc3c21)NC[*:1])-c1ccco1
CCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 c1coc(c1)[*:1] CCCCNc1ncnc2c1sc1nc(c3COC(C)(C)Cc3c12)[*:1]
CCCN1CCO[C@@H]([C@H](O)c2cnn(C)c2)C1 CCC[*:1] Cn1cc(cn1)[C@@H](O)[C@H]1CN(CCO1)[*:1]
COc1ccccc1N1CCN([C@@H](CNC(=O)C(C)(C)C)c2cccnc2)CC1 CC(C)(C)C(=O)N[*:1] COc1ccccc1N1CCN(CC1)[C@@H](C[*:1])c1cccnc1
COc1ccccc1N1CCN([C@@H](CNC(=O)C(C)(C)C)c2cccnc2)CC1 CC(C)(C)[*:1] COc1ccccc1N1CCN(CC1)[C@@H](CNC(=O)[*:1])c1cccnc1
COc1ccccc1N1CCN([C@@H](CNC(=O)C(C)(C)C)c2cccnc2)CC1 c1cncc(c1)[*:1] COc1ccccc1N1CCN(CC1)[C@@H](CNC(=O)C(C)(C)C)[*:1]
COc1ccccc1N1CCN([C@@H](CNC(=O)C(C)(C)C)c2cccnc2)CC1 CC(C)(C)C(=O)NC[*:1] COc1ccccc1N1CCN(CC1)[C@@H](c1cccnc1)[*:1]
COc1ccccc1N1CCN([C@@H](CNC(=O)C(C)(C)C)c2cccnc2)CC1 COc1ccccc1[*:1] CC(C)(C)C(=O)NC[C@@H](c1cccnc1)N1CCN(CC1)[*:1]
CC(C)(C)NNc1ncnc(NN)c1[N+](=O)[O-] CC(C)(C)[*:1] NNc1ncnc(NN[*:1])c1[N+](=O)[O-]
CC(C)(C)NNc1ncnc(NN)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)NNc1ncnc(NN)c1[*:1]
C[NH2+]Cc1cn(C2CCN(C(=O)/C=C/c3cccc(C)c3)CC2)nn1 Cc1cccc(c1)[*:1] C[NH2+]Cc1cn(nn1)C1CCN(CC1)C(=O)C=C[*:1]
COc1nn(C)cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(C)C)C1 CC(C)c1ccccc1[*:1] COc1nn(C)cc1C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1nn(C)cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(C)C)C1 CC(C)[*:1] COc1nn(C)cc1C(=O)N1CCC[C@H](C1)C(=O)Nc1ccccc1[*:1]
COc1nn(C)cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(C)C)C1 COc1nn(C)cc1[*:1] CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC(=O)NCc1ccc(/C([O-])=C(/C#N)C(=O)Nc2ccccc2)s1 CC(=O)N[*:1] N#C/C(C(=O)Nc1ccccc1)=C(\[O-])c1ccc(C[*:1])s1
CC(=O)NCc1ccc(/C([O-])=C(/C#N)C(=O)Nc2ccccc2)s1 c1ccc(cc1)[*:1] CC(=O)NCc1ccc(s1)/C([O-])=C(/C#N)C(=O)N[*:1]
CC(=O)NCc1ccc(/C([O-])=C(/C#N)C(=O)Nc2ccccc2)s1 CC(=O)NC[*:1] N#C/C(C(=O)Nc1ccccc1)=C(\[O-])c1ccc(s1)[*:1]
CN(C)C(=O)[C@@H](OC(=O)CCn1nnc2ccccc2c1=O)c1ccccc1 CN(C)C(=O)[*:1] O=C(CCn1nnc2ccccc2c1=O)O[C@@H](c1ccccc1)[*:1]
CN(C)C(=O)[C@@H](OC(=O)CCn1nnc2ccccc2c1=O)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](OC(=O)CCn1nnc2ccccc2c1=O)[*:1]
Cc1ccc(C[C@H]2CCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)cc1 Cc1ccc(cc1)[*:1] O=C([C@H]1Cc2ccccc2O1)N1CCC[C@@H](C1)C[*:1]
Cc1ccc(C[C@H]2CCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)cc1 Cc1ccc(cc1)C[*:1] O=C([C@H]1Cc2ccccc2O1)N1CCC[C@@H](C1)[*:1]
Cc1cc(C)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)N1CCCCC1)N[*:1]
Cc1cc(C)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 O=S(=O)(N1CCCCC1)[*:1] Cc1cc(C)c(NC(=O)Cc2ccc(cc2)[*:1])c(C)c1
Cc1cc(N[C@H]2C[C@@H]2C)nc(-c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] Cc1cc(nc(n1)-c1cccc(c1)[*:1])N[C@H]1C[C@@H]1C
C[C@@H](CC[NH3+])NC(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] C[C@@H](CC[NH3+])NC(=O)c1cc(ccc1F)[*:1]
CN(C(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cn1 O=C1CCCN1[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1ccc(Cl)cn1
CN(C(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] CN(C(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
Cc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 Cc1ccc(Cl)cc1[*:1] C[C@@H]1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)NCCC(=O)N[*:1]
Cc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 C1CC1[*:1] Cc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)[*:1]
Cc1nc(C2CCN(S(=O)(=O)N(C)C)CC2)nc2c1CC(=O)N2CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1nc(nc2c1CC(=O)N2[*:1])C1CCN(CC1)S(=O)(=O)N(C)C
Cc1nc(C2CCN(S(=O)(=O)N(C)C)CC2)nc2c1CC(=O)N2CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(nc2c1CC(=O)N2C[*:1])C1CCN(CC1)S(=O)(=O)N(C)C
Cc1nc(C2CCN(S(=O)(=O)N(C)C)CC2)nc2c1CC(=O)N2CCc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(nc2c1CC(=O)N2CC[*:1])C1CCN(CC1)S(=O)(=O)N(C)C
Cc1csc([C@@H](C#N)C(=O)c2ccc(F)c(F)c2)n1 Cc1csc(n1)[*:1] N#C[C@@H](C(=O)c1ccc(F)c(F)c1)[*:1]
CCc1cccc(OCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1 CCc1cccc(c1)[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)CO[*:1]
CCc1cccc(OCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1 COc1ccc(cc1)[*:1] CCc1cccc(c1)OCC(=O)Nc1nc(cs1)[*:1]
COc1ccc(C)cc1N(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCC3 COc1ccc(C)cc1[*:1] CN(C(=O)c1ccc2c(=O)n3CCCCc3nc2c1)[*:1]
Cc1ccccc1CNC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 Cc1ccccc1C[*:1] C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[*:1]
Cc1ccccc1CNC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 Cc1ccccc1[*:1] C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC[*:1]
Cc1ccccc1CNC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 C1CC1[*:1] Cc1ccccc1CNC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1[*:1]
Cc1ccccc1CNC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 c1csc(c1)[*:1] Cc1ccccc1CNC(=O)[C@H](C)Sc1nnc(n1C1CC1)[*:1]
C=CCn1cnn(C[NH+]2CCc3cc(OC)c(OC)cc3C2)c1=S C=CC[*:1] COc1cc2CC[NH+](Cc2cc1OC)Cn1ncn(c1=S)[*:1]
COc1ccc([C@@H]2N=N/C(=[NH+]\C(=O)Nc3ccc(C)c(C)c3)S2)cc1OC Cc1ccc(cc1C)[*:1] COc1ccc(cc1OC)[C@@H]1N=N/C(=[NH+]\C(=O)N[*:1])S1
Cc1ccccc1[C@@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)C1CC1 CC(C)C(=O)N[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1ccc(cc1)[*:1])C1CC1
Cc1ccccc1[C@@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)C1CC1 Cc1ccccc1[*:1] CC(C)C(=O)Nc1ccc(cc1)C[NH2+][C@@H](C1CC1)[*:1]
Cc1ccccc1[C@@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)C1CC1 CC(C)[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1ccc(cc1)NC(=O)[*:1])C1CC1
Cc1ccccc1[C@@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)C1CC1 C1CC1[*:1] Cc1ccccc1[C@@H]([NH2+]Cc1ccc(cc1)NC(=O)C(C)C)[*:1]
O=C([C@@H](Sc1nnc(-c2cccc(Br)c2)o1)c1ccccc1)N1CCCC1 O=C(N1CCCC1)[*:1] Brc1cccc(c1)-c1nnc(o1)S[C@@H](c1ccccc1)[*:1]
O=C([C@@H](Sc1nnc(-c2cccc(Br)c2)o1)c1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] O=C([C@@H](Sc1nnc(o1)-c1cccc(Br)c1)[*:1])N1CCCC1
O=C([C@@H](Sc1nnc(-c2cccc(Br)c2)o1)c1ccccc1)N1CCCC1 Brc1cccc(c1)[*:1] O=C([C@@H](Sc1nnc(o1)[*:1])c1ccccc1)N1CCCC1
CC[C@@H](C(=O)Nc1ccc(C)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O Fc1ccc(cc1)[*:1] CC[C@@H](C(=O)Nc1ccc(C)cc1)N1CCN(C[*:1])C(=O)C1=O
CC[C@@H](C(=O)Nc1ccc(C)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O Fc1ccc(cc1)C[*:1] CC[C@@H](C(=O)Nc1ccc(C)cc1)N1CCN(C(=O)C1=O)[*:1]
CC[C@@H](C(=O)Nc1ccc(C)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O Cc1ccc(cc1)[*:1] CC[C@@H](C(=O)N[*:1])N1CCN(Cc2ccc(F)cc2)C(=O)C1=O
COc1ccccc1N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 COc1ccccc1[*:1] O=c1c(Cl)c(cnn1-c1ccccc1)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 c1ccc(cc1)[*:1] COc1ccccc1N1CCN(CC1)c1cnn(c(=O)c1Cl)[*:1]
C/C=C(\C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC CC=C(C)[*:1] COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
C/C=C(\C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC COC(=O)[*:1] C/C=C(\C)C(=O)N1Cc2ccccc2C[C@@H]1[*:1]
Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc4ncccc34)c(C)c21 Cc1occc1[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)Nc1cccc2ncccc12
Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cccc4ncccc34)c(C)c21 c1cc(c2cccnc2c1)[*:1] Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)N[*:1])c(C)c21
O=C(NCCOc1ccc(F)cc1)Nc1cc(F)ccc1F Fc1ccc(cc1)[*:1] O=C(NCCO[*:1])Nc1cc(F)ccc1F
Cc1ccccc1CSCC(=O)Nc1ccc(C)c(C(=O)[O-])c1 Cc1ccccc1[*:1] Cc1ccc(cc1C(=O)[O-])NC(=O)CSC[*:1]
Cc1ccccc1CSCC(=O)Nc1ccc(C)c(C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccccc1CSCC(=O)Nc1ccc(C)c(c1)[*:1]
CC(C)c1nnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1C CC(C)[*:1] Cn1c(nnc1[*:1])SCC(=O)N1CCN(CC1)c1cccc(Cl)c1
CC(C)c1nnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1C Clc1cccc(c1)[*:1] CC(C)c1nnc(SCC(=O)N2CCN(CC2)[*:1])n1C
CC[C@H](OC1CCCC1)C(=O)Nc1ncn(Cc2ccccn2)n1 C1CCC(C1)[*:1] CC[C@H](O[*:1])C(=O)Nc1ncn(Cc2ccccn2)n1
CC[C@H](OC1CCCC1)C(=O)Nc1ncn(Cc2ccccn2)n1 C1CCC(C1)O[*:1] CC[C@H](C(=O)Nc1ncn(Cc2ccccn2)n1)[*:1]
CC[C@H](OC1CCCC1)C(=O)Nc1ncn(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 CC[C@H](OC1CCCC1)C(=O)Nc1ncn(n1)[*:1]
CC[C@H](OC1CCCC1)C(=O)Nc1ncn(Cc2ccccn2)n1 c1ccc(nc1)[*:1] CC[C@H](OC1CCCC1)C(=O)Nc1ncn(C[*:1])n1
CCOC(=O)c1nnc2ccccc2c1NC[C@@](C)(O)C(C)C CCOC(=O)[*:1] CC(C)[C@](C)(O)CNc1c(nnc2ccccc12)[*:1]
CCOC(=O)c1nnc2ccccc2c1NC[C@@](C)(O)C(C)C CC(C)[*:1] CCOC(=O)c1nnc2ccccc2c1NC[C@@](C)(O)[*:1]
CCC[C@@H]1C[C@]1(O)c1ccc2ccccc2n1 CCC[*:1] O[C@@]1(C[C@H]1[*:1])c1ccc2ccccc2n1
Cc1nn(C)cc1-c1cncn1Cc1ccccc1C[NH+](C)C Cc1nn(C)cc1[*:1] C[NH+](C)Cc1ccccc1Cn1cncc1[*:1]
C[C@H](OCC(F)(F)F)C(=O)N1CCc2c1cccc2[N+](=O)[O-] FC(F)(F)C[*:1] C[C@H](O[*:1])C(=O)N1CCc2c1cccc2[N+](=O)[O-]
C[C@H](OCC(F)(F)F)C(=O)N1CCc2c1cccc2[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](OCC(F)(F)F)C(=O)N1CCc2c1cccc2[*:1]
C[C@H](OCC(F)(F)F)C(=O)N1CCc2c1cccc2[N+](=O)[O-] FC(F)(F)[*:1] C[C@H](OC[*:1])C(=O)N1CCc2c1cccc2[N+](=O)[O-]
C[C@H](OCC(F)(F)F)C(=O)N1CCc2c1cccc2[N+](=O)[O-] FC(F)(F)CO[*:1] C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[*:1]
Cc1cccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1 CC1CCN(CC1)S(=O)(=O)[*:1] Cc1cccc(c1)CNC(=O)CN1C(=O)C(C)(C)c2cc(ccc21)[*:1]
Cc1cccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1 Cc1cccc(c1)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)NC[*:1]
Cc1cccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1 Cc1cccc(c1)CNC(=O)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C[*:1]
Cc1cccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)c1 Cc1cccc(c1)C[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)N[*:1]
Cc1cc(OCC[C@H]2CCC[C@H]2[NH3+])ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCC[C@H]1CCC[C@H]1[NH3+]
COC(=O)Nc1cc(NCCOc2ccc(F)cc2Cl)ccc1F Fc1ccc(c(Cl)c1)[*:1] COC(=O)Nc1cc(ccc1F)NCCO[*:1]
COC(=O)Nc1cc(NCCOc2ccc(F)cc2Cl)ccc1F COC(=O)N[*:1] Fc1ccc(OCCNc2ccc(F)c(c2)[*:1])c(Cl)c1
COC(=O)C[C@@H](NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O)C1CC1 Fc1ccc(cc1F)[*:1] COC(=O)C[C@@H](NC(=O)[C@H]1CCN(C1=O)[*:1])C1CC1
COC(=O)C[C@@H](NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)[C@H]1CCN(C1=O)c1ccc(F)c(F)c1)[*:1]
COC(=O)C[C@@H](NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O)C1CC1 COC(=O)C[*:1] O=C(N[C@@H](C1CC1)[*:1])[C@H]1CCN(C1=O)c1ccc(F)c(F)c1
COC(=O)C[C@@H](NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O)C1CC1 COC(=O)[*:1] O=C(N[C@H](C[*:1])C1CC1)[C@H]1CCN(C1=O)c1ccc(F)c(F)c1
CCSC[C@H](C)N(C)C(=O)c1ccc(-n2ccnn2)cc1 CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccc(cc1)-n1ccnn1
CCSC[C@H](C)N(C)C(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] CCSC[C@H](C)N(C)C(=O)c1ccc(cc1)[*:1]
CCSC[C@H](C)N(C)C(=O)c1ccc(-n2ccnn2)cc1 CCSC[*:1] C[C@H](N(C)C(=O)c1ccc(cc1)-n1ccnn1)[*:1]
C=CCc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc(OC)c1O C=CC[*:1] COc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc(c1O)[*:1]
C=CCc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc(OC)c1O C1CO[C@@H](C1)C[*:1] C=CCc1cc(/C=C(/C#N)C(=O)N[*:1])cc(OC)c1O
C=CCc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc(OC)c1O C1CO[C@@H](C1)[*:1] C=CCc1cc(/C=C(/C#N)C(=O)NC[*:1])cc(OC)c1O
CCn1nc(C(=O)N[C@@H](c2cccs2)C(C)C)c2ccccc2c1=O c1csc(c1)[*:1] CCn1nc(C(=O)N[C@@H](C(C)C)[*:1])c2ccccc2c1=O
CCn1nc(C(=O)N[C@@H](c2cccs2)C(C)C)c2ccccc2c1=O CC(C)[*:1] CCn1nc(C(=O)N[C@@H](c2cccs2)[*:1])c2ccccc2c1=O
Cc1c(C(=O)N2CCN(CCOC(C)C)CC2)cnn1-c1ccccc1 CC(C)O[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N1CCN(CC1)CC[*:1]
Cc1c(C(=O)N2CCN(CCOC(C)C)CC2)cnn1-c1ccccc1 CC(C)OCC[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N1CCN(CC1)[*:1]
Cc1c(C(=O)N2CCN(CCOC(C)C)CC2)cnn1-c1ccccc1 CC(C)[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N1CCN(CCO[*:1])CC1
Cc1c(C(=O)N2CCN(CCOC(C)C)CC2)cnn1-c1ccccc1 CC(C)OC[*:1] Cc1c(cnn1-c1ccccc1)C(=O)N1CCN(CC1)C[*:1]
Cc1c(C(=O)N2CCN(CCOC(C)C)CC2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCN(CCOC(C)C)CC1
CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 c1cncc(c1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)Nc1ccc(C)cn1)[*:1]
CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 Cc1ccc(nc1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)N[*:1])c1cccnc1
CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 Cc1ccc(nc1)NC(=O)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1[*:1])c1cccnc1
Cc1noc(/C=C\c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1NC(=O)C1CC1 C1CC1[*:1] Cc1noc(/C=C\c2ccc(cc2)S(=O)(=O)N2CCC3(CC2)OCCO3)c1NC(=O)[*:1]
Cc1noc(/C=C\c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c1NC(=O)C1CC1 O=C(N[*:1])C1CC1 Cc1noc(/C=C\c2ccc(cc2)S(=O)(=O)N2CCC3(CC2)OCCO3)c1[*:1]
C=CCc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)c(OC)c1 Clc1cc(Br)ccc1[*:1] C=CCc1ccc(OCC(=O)N[*:1])c(c1)OC
C=CCc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)c(OC)c1 C=CC[*:1] COc1cc(ccc1OCC(=O)Nc1ccc(Br)cc1Cl)[*:1]
CCCn1nnc2cc(C(=O)Nc3cccc(SC)c3)ccc21 CCC[*:1] CSc1cccc(c1)NC(=O)c1ccc2c(c1)nnn2[*:1]
Cc1ccc2sc(N3CCN(C(=O)c4ccc(N5C(=O)CCC5=O)cc4)CC3)nc2c1C O=C1CCC(=O)N1[*:1] Cc1ccc2sc(nc2c1C)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COc1ccc(N2CCN(CC(=O)Nc3ccc(Br)c(C)c3)C2=O)cc1 Cc1cc(ccc1Br)[*:1] COc1ccc(cc1)N1CCN(CC(=O)N[*:1])C1=O
COc1ccc(N2CCN(CC(=O)Nc3ccc(Br)c(C)c3)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1cc(ccc1Br)NC(=O)CN1CCN(C1=O)[*:1]
C[C@](O)(C(=O)[O-])c1ccc(O)cc1 O=C([O-])[*:1] C[C@](O)(c1ccc(O)cc1)[*:1]
Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C)CCC2)c(C)c1 CC1(CCC1)[*:1] Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[*:1])c(C)c1
CCCc1ccc([C@H](O)[C@@H]2CN(CC)CCO2)cc1 CCC[*:1] CCN1CCO[C@@H](C1)[C@@H](O)c1ccc(cc1)[*:1]
CCCN(CCC)C(=O)Cn1c(CO)nc2cc(C)c(C)cc21 CCC[*:1] CCCN(C(=O)Cn1c(CO)nc2cc(C)c(C)cc21)[*:1]
Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc4c3OCO4)CC2)c1 Cc1cccc(c1)C[*:1] c1cc(C[NH2+]C2CC[NH+](CC2)[*:1])c2OCOc2c1
Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc4c3OCO4)CC2)c1 Cc1cccc(c1)[*:1] c1cc(C[NH2+]C2CC[NH+](CC2)C[*:1])c2OCOc2c1
Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3c(F)c(F)cc(F)c3F)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)Nc1c(F)c(F)cc(F)c1F)n1nc(ccc1=O)[*:1]
C=CCN(CC=C)S(=O)(=O)c1cc(Br)c(C)cc1OC C=CC[*:1] C=CCN(S(=O)(=O)c1cc(Br)c(C)cc1OC)[*:1]
O=C(Cn1nnnc1C[NH+]1CCCCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] O=C(Cn1nnnc1C[NH+]1CCCCCC1)N1CCN(CC1)C[*:1]
O=C(Cn1nnnc1C[NH+]1CCCCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] O=C(Cn1nnnc1C[NH+]1CCCCCC1)N1CCN(CC1)[*:1]
CC(C)(C)Oc1ccccc1C#N CC(C)(C)[*:1] N#Cc1ccccc1O[*:1]
COC(=O)[C@H]1CCN(C(=O)CC2=CCCCC2)c2ccccc21 COC(=O)[*:1] O=C(CC1=CCCCC1)N1CC[C@@H](c2ccccc21)[*:1]
Cc1nc2ccccc2n(CCC(=O)N2CCN(c3ccccc3)CC2)c1=O c1ccc(cc1)[*:1] Cc1nc2ccccc2n(CCC(=O)N2CCN(CC2)[*:1])c1=O
Cn1/c(=N/NS(=O)(=O)c2ccccc2)sc2ccccc21 c1ccc(cc1)[*:1] Cn1/c(=N/NS(=O)(=O)[*:1])sc2ccccc21
COc1ccc(-n2nc(C(=O)N3CCN(C(C)=O)CC3)cc2C)cc1 COc1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)c1cc(C)n(n1)[*:1]
Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(F)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)Cn2cnc(n2)[*:1])c(F)c1
CCC[NH+]1CCC(NC(=O)NC2(CC(=O)[O-])CCC2)CC1 CCC[*:1] O=C([O-])CC1(CCC1)NC(=O)NC1CC[NH+](CC1)[*:1]
CCC[NH+]1CCC(NC(=O)NC2(CC(=O)[O-])CCC2)CC1 O=C([O-])C[*:1] CCC[NH+]1CCC(CC1)NC(=O)NC1(CCC1)[*:1]
CCC[NH+]1CCC(NC(=O)NC2(CC(=O)[O-])CCC2)CC1 O=C([O-])[*:1] CCC[NH+]1CCC(CC1)NC(=O)NC1(CCC1)C[*:1]
O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)C1CCCCC1 c1cnn(c1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CCCN1C(=O)C1CCCCC1
O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1cccc(c1)-n1cccn1)[C@@H]1CCCN1C(=O)[*:1]
C#CCSc1nnnn1-c1ccc(OC)cc1 C#CC[*:1] COc1ccc(cc1)-n1nnnc1S[*:1]
C#CCSc1nnnn1-c1ccc(OC)cc1 C#CCS[*:1] COc1ccc(cc1)-n1nnnc1[*:1]
Cc1ccc(-c2noc3c(N4CCc5ccccc54)nc(C)nc23)cc1 Cc1ccc(cc1)[*:1] Cc1nc(c2onc(c2n1)[*:1])N1CCc2ccccc21
CC(=O)N[C@@H](CC(=O)O[C@@H](C)c1nccs1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] CC(=O)N[C@@H](CC(=O)O[C@@H](C)c1nccs1)[*:1]
CC(=O)N[C@@H](CC(=O)O[C@@H](C)c1nccs1)c1c(F)cccc1F C[C@@H](c1nccs1)[*:1] CC(=O)N[C@@H](CC(=O)O[*:1])c1c(F)cccc1F
CC(=O)N[C@@H](CC(=O)O[C@@H](C)c1nccs1)c1c(F)cccc1F CC(=O)N[*:1] C[C@H](OC(=O)C[C@@H](c1c(F)cccc1F)[*:1])c1nccs1
CC(=O)N[C@@H](CC(=O)O[C@@H](C)c1nccs1)c1c(F)cccc1F c1csc(n1)[*:1] CC(=O)N[C@@H](CC(=O)O[C@@H](C)[*:1])c1c(F)cccc1F
CN(C)C(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(F)c2)cc1 CN(C)C(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])C(=O)Nc1cccc(F)c1
CN(C)C(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)C(=O)N[*:1]
COc1ccccc1NC(=O)Nc1cc(C(C)C)on1 CC(C)[*:1] COc1ccccc1NC(=O)Nc1cc(on1)[*:1]
COc1ccc(Cl)cc1C(=O)NC[C@H](OC)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(Cl)cc1C(=O)NC[C@H](OC)[*:1]
O=C1/C(=N\NC(=S)NCc2ccccc2)[N-]c2ccccc21 c1ccc(cc1)C[*:1] O=C1/C(=N\NC(=S)N[*:1])[N-]c2ccccc21
O=C1/C(=N\NC(=S)NCc2ccccc2)[N-]c2ccccc21 c1ccc(cc1)[*:1] O=C1/C(=N\NC(=S)NC[*:1])[N-]c2ccccc21
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@H](C)O)c4)c3N2)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)[C@H]1C[C@H](n2ncc(C(=O)Nc3cccc(c3)[C@H](C)O)c2N1)[*:1]
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@H](C)O)c4)c3N2)cc1OC C[C@H](O)c1cccc(c1)[*:1] COc1ccc(cc1OC)[C@H]1C[C@@H](n2ncc(C(=O)N[*:1])c2N1)C(F)(F)F
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@H](C)O)c4)c3N2)cc1OC COc1ccc(cc1OC)[*:1] C[C@H](O)c1cccc(c1)NC(=O)c1cnn2c1N[C@H](C[C@@H]2C(F)(F)F)[*:1]
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@H](C)O)c4)c3N2)cc1OC C[C@H](O)[*:1] COc1ccc(cc1OC)[C@H]1C[C@@H](n2ncc(C(=O)Nc3cccc(c3)[*:1])c2N1)C(F)(F)F
Cc1nc(COc2ccccc2C(=O)Nc2ccc(-n3cnnn3)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)c1ccccc1OC[*:1]
Cc1nc(COc2ccccc2C(=O)Nc2ccc(-n3cnnn3)cc2)cs1 Cc1nc(cs1)CO[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)c1ccccc1[*:1]
Cc1nc(COc2ccccc2C(=O)Nc2ccc(-n3cnnn3)cc2)cs1 c1nnnn1[*:1] Cc1nc(cs1)COc1ccccc1C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(COc2ccccc2C(=O)Nc2ccc(-n3cnnn3)cc2)cs1 Cc1nc(cs1)C[*:1] O=C(Nc1ccc(cc1)-n1cnnn1)c1ccccc1O[*:1]
CCc1ccccc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1 O=C(N[*:1])c1ccco1 CCc1ccccc1NC(=O)CCc1csc(n1)[*:1]
CCc1ccccc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1 CCc1ccccc1[*:1] O=C(CCc1csc(n1)NC(=O)c1ccco1)N[*:1]
CCc1ccccc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1 c1coc(c1)[*:1] CCc1ccccc1NC(=O)CCc1csc(n1)NC(=O)[*:1]
CNc1snc(C)c1-c1nc(CSC)no1 CSC[*:1] CNc1snc(C)c1-c1nc(no1)[*:1]
Cc1cc(CN2CCO[C@H](c3cnn(C)c3)C2)c(C)n1-c1nccs1 c1csc(n1)[*:1] Cc1cc(CN2CCO[C@@H](C2)c2cnn(C)c2)c(C)n1[*:1]
Cc1cc(CN2CCO[C@H](c3cnn(C)c3)C2)c(C)n1-c1nccs1 Cn1cc(cn1)[*:1] Cc1cc(CN2CCO[C@H](C2)[*:1])c(C)n1-c1nccs1
COc1ccc(OC(C)C)c(N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 FC(F)(F)[*:1] COc1ccc(OC(C)C)c(c1)N[C@@H]1CCN(C[*:1])C1=O
COc1ccc(OC(C)C)c(N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 CC(C)O[*:1] COc1ccc(c(c1)N[C@@H]1CCN(CC(F)(F)F)C1=O)[*:1]
COc1ccc(OC(C)C)c(N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 FC(F)(F)C[*:1] COc1ccc(OC(C)C)c(c1)N[C@@H]1CCN(C1=O)[*:1]
COc1ccc(OC(C)C)c(N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 CC(C)[*:1] COc1ccc(O[*:1])c(c1)N[C@@H]1CCN(CC(F)(F)F)C1=O
CCCSc1nc2n(n1)[C@H](c1cccc(OC(C)C)c1)C(C(N)=O)=C(C)N2 CCC[*:1] CC1Nc2nc(nn2[C@@H](C=1C(N)=O)c1cccc(c1)OC(C)C)S[*:1]
CCCSc1nc2n(n1)[C@H](c1cccc(OC(C)C)c1)C(C(N)=O)=C(C)N2 CCCS[*:1] CC1Nc2nc(nn2[C@@H](C=1C(N)=O)c1cccc(c1)OC(C)C)[*:1]
CCCSc1nc2n(n1)[C@H](c1cccc(OC(C)C)c1)C(C(N)=O)=C(C)N2 CC(C)O[*:1] CCCSc1nc2NC(C)=C(C(N)=O)[C@@H](c3cccc(c3)[*:1])n2n1
CCCSc1nc2n(n1)[C@H](c1cccc(OC(C)C)c1)C(C(N)=O)=C(C)N2 NC(=O)[*:1] CCCSc1nc2NC(C)=C([C@@H](c3cccc(c3)OC(C)C)n2n1)[*:1]
CCCSc1nc2n(n1)[C@H](c1cccc(OC(C)C)c1)C(C(N)=O)=C(C)N2 CC(C)[*:1] CCCSc1nc2NC(C)=C(C(N)=O)[C@@H](c3cccc(c3)O[*:1])n2n1
O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)n1[*:1]
O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)n1C[*:1]
O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 Clc1ccc(cc1)[*:1] O=C1OCC[C@H]1Sc1nnc(n1Cc1ccccc1)[*:1]
COC(=O)c1cc(Cl)c2c(c1)C[C@@H](CNC(=O)c1cc3ccccc3s1)O2 c1ccc2sc(cc2c1)[*:1] COC(=O)c1cc(Cl)c2O[C@H](CNC(=O)[*:1])Cc2c1
COC(=O)c1cc(Cl)c2c(c1)C[C@@H](CNC(=O)c1cc3ccccc3s1)O2 COC(=O)[*:1] O=C(NC[C@@H]1Cc2cc(cc(Cl)c2O1)[*:1])c1cc2ccccc2s1
Cc1nc(-c2ccsc2)sc1C(=O)N1CCNC(=O)CC1 c1cc(cs1)[*:1] Cc1nc(sc1C(=O)N1CCNC(=O)CC1)[*:1]
CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 CC(=O)N[*:1] O=C([O-])c1cc2cc(ccc2s1)[*:1]
CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 O=C([O-])[*:1] CC(=O)Nc1ccc2sc(cc2c1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([C@H]([NH3+])CC(F)(F)F)C1 CS(=O)(=O)[*:1] [NH3+][C@H](CC(F)(F)F)[C@@H]1CCC[C@H](C1)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([C@H]([NH3+])CC(F)(F)F)C1 FC(F)(F)[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[C@H]([NH3+])C[*:1]
CS(=O)(=O)[C@@H]1CCC[C@@H]([C@H]([NH3+])CC(F)(F)F)C1 FC(F)(F)C[*:1] CS(=O)(=O)[C@@H]1CCC[C@H](C1)[C@H]([NH3+])[*:1]
O=C(NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] O=C(NC(=S)Nc1cccc2C(=O)N(C(=O)c12)[*:1])c1ccc2OCCOc2c1
O=C(NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C1c2cccc(NC(=S)NC(=O)[*:1])c2C(=O)N1c1ccccc1
O=C(c1cc2c(s1)CCCCC2)N1CCCS/C1=N\Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1cc2CCCCCc2s1)N1CCCS/C1=N\C[*:1]
O=C(c1cc2c(s1)CCCCC2)N1CCCS/C1=N\Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1cc2CCCCCc2s1)N1CCCSC1=N[*:1]
Cc1nc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)sc1C c1csc(c1)[*:1] Cc1nc(NC(=O)COc2ccc(cc2)N(C)S(=O)(=O)[*:1])sc1C
Cc1nc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)sc1C Cc1nc(sc1C)[*:1] CN(c1ccc(cc1)OCC(=O)N[*:1])S(=O)(=O)c1cccs1
COc1ccc(/C=N/NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c(OC)c1OC O=[N+]([O-])[*:1] COc1ccc(/C=N/NC(=O)c2sc3cc(ccc3c2Cl)[*:1])c(OC)c1OC
C[C@H]1C[C@H](NC(=O)CCSc2ccc(C#N)cc2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1[*:1])NC(=O)CCSc1ccc(C#N)cc1
C[C@H]1C[C@H](NC(=O)CCSc2ccc(C#N)cc2)CN1c1ccccc1 N#Cc1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)CCS[*:1]
O=C(Nc1cccc(OC2=NS(=O)(=O)c3ccccc32)c1)c1cccs1 O=C(N[*:1])c1cccs1 O=S1(=O)N=C(Oc2cccc(c2)[*:1])c2ccccc21
O=C(Nc1cccc(OC2=NS(=O)(=O)c3ccccc32)c1)c1cccs1 c1csc(c1)[*:1] O=C(Nc1cccc(c1)OC1=NS(=O)(=O)c2ccccc21)[*:1]
COc1cccc(O[C@H](C)C(=O)NC2CCCC2)c1 C1CCC(C1)[*:1] COc1cccc(c1)O[C@H](C)C(=O)N[*:1]
CC[C@H]1COCCN1Cc1c[nH]nc1-c1ccccc1F Fc1ccccc1[*:1] CC[C@H]1COCCN1Cc1c[nH]nc1[*:1]
Cc1ccc(N2C(=O)[C@H](N3C(=O)c4ccccc4C3=O)[C@H]2C=O)cc1 Cc1ccc(cc1)[*:1] O=C[C@@H]1[C@H](C(=O)N1[*:1])N1C(=O)c2ccccc2C1=O
O=C(CSc1ccccc1F)N1CCC([C@H](O)c2ccccc2)CC1 O[C@H](c1ccccc1)[*:1] O=C(CSc1ccccc1F)N1CCC(CC1)[*:1]
O=C(CSc1ccccc1F)N1CCC([C@H](O)c2ccccc2)CC1 Fc1ccccc1S[*:1] O=C(C[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
O=C(CSc1ccccc1F)N1CCC([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1ccccc1F)N1CCC(CC1)[C@H](O)[*:1]
O=C(CSc1ccccc1F)N1CCC([C@H](O)c2ccccc2)CC1 Fc1ccccc1[*:1] O=C(CS[*:1])N1CCC(CC1)[C@H](O)c1ccccc1
CC(C)(C)CN1C(=O)C2(CC[NH2+]CC2)Nc2ccccc21 CC(C)(C)C[*:1] O=C1N(c2ccccc2NC12CC[NH2+]CC2)[*:1]
CC(C)(C)CN1C(=O)C2(CC[NH2+]CC2)Nc2ccccc21 CC(C)(C)[*:1] O=C1N(C[*:1])c2ccccc2NC12CC[NH2+]CC2
CCC[C@@H](CC(=O)OC)NC(=O)Nc1ccc2nccnc2c1 COC(=O)C[*:1] CCC[C@@H](NC(=O)Nc1ccc2nccnc2c1)[*:1]
CCC[C@@H](CC(=O)OC)NC(=O)Nc1ccc2nccnc2c1 COC(=O)[*:1] CCC[C@@H](C[*:1])NC(=O)Nc1ccc2nccnc2c1
CCC[C@@H](CC(=O)OC)NC(=O)Nc1ccc2nccnc2c1 CCC[*:1] COC(=O)C[C@@H](NC(=O)Nc1ccc2nccnc2c1)[*:1]
CCc1nn(C)c2c1nc(CCCl)n2CCC(C)C CC(C)[*:1] CCc1nn(C)c2c1nc(CCCl)n2CC[*:1]
CCc1nn(C)c2c1nc(CCCl)n2CCC(C)C ClCC[*:1] CCc1nn(C)c2c1nc(n2CCC(C)C)[*:1]
CCc1nn(C)c2c1nc(CCCl)n2CCC(C)C CC(C)C[*:1] CCc1nn(C)c2c1nc(CCCl)n2C[*:1]
CCc1nn(C)c2c1nc(CCCl)n2CCC(C)C CC(C)CC[*:1] CCc1nn(C)c2c1nc(CCCl)n2[*:1]
COc1cccc([C@@H](CNC(=O)c2ccc(=O)n(C)n2)[NH+](C)C)c1 COc1cccc(c1)[*:1] Cn1nc(ccc1=O)C(=O)NC[C@@H]([NH+](C)C)[*:1]
COc1cccc([C@@H](CNC(=O)c2ccc(=O)n(C)n2)[NH+](C)C)c1 Cn1nc(ccc1=O)[*:1] COc1cccc(c1)[C@@H](CNC(=O)[*:1])[NH+](C)C
O=C1CS/C(=N/c2ccccc2)N1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C1CSC(=N[*:1])N1c1ccc(Cl)cc1
Cc1ncn(C[C@@H](C)[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c1C Cc1ncn(c1C)[*:1] C[C@H](C[*:1])[NH2+]CCc1c[nH]c2cc(Cl)ccc12
COC(=O)[C@@H](C)[C@H](C)Nc1ccccc1 COC(=O)[*:1] C[C@H](Nc1ccccc1)[C@H](C)[*:1]
C=C1C=C([O-])N2C(=NC(NCc3ccc(Cl)cc3)=[NH+][C@@H]2c2ccc(F)cc2)N1 Fc1ccc(cc1)[*:1] C=C1C=C([O-])N2C(=NC(NCc3ccc(Cl)cc3)=[NH+][C@H]2[*:1])N1
C=C1C=C([O-])N2C(=NC(NCc3ccc(Cl)cc3)=[NH+][C@@H]2c2ccc(F)cc2)N1 Clc1ccc(cc1)[*:1] C=C1C=C([O-])N2C(=NC(NC[*:1])=[NH+][C@@H]2c2ccc(F)cc2)N1
C=C1C=C([O-])N2C(=NC(NCc3ccc(Cl)cc3)=[NH+][C@@H]2c2ccc(F)cc2)N1 Clc1ccc(cc1)C[*:1] C=C1C=C([O-])N2C(=NC(N[*:1])=[NH+][C@@H]2c2ccc(F)cc2)N1
Cc1ccc(C(=O)N(C)Cc2ccsc2)n1C c1cc(cs1)[*:1] Cc1ccc(C(=O)N(C)C[*:1])n1C
CC(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 O=C(Nc1ccc(Cl)cc1)[*:1] CC(C)CCNC(=O)[C@@H]1CCCN(C1)C(=O)c1nnc(s1)[*:1]
CC(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 CC(C)CC[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 CC(C)[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)C(=O)N1CCC[C@H](C1)C(=O)NCC[*:1]
CC(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 CC(C)C[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CC(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 Clc1ccc(cc1)[*:1] CC(C)CCNC(=O)[C@@H]1CCCN(C1)C(=O)c1nnc(s1)C(=O)N[*:1]
CC(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 CC(C)CCNC(=O)[*:1] O=C(Nc1ccc(Cl)cc1)c1nnc(s1)C(=O)N1CCC[C@H](C1)[*:1]
CC[C@@H](C(N)=O)N1CC[NH+]([C@H](C)COC)CC1 COC[C@@H](C)[*:1] CC[C@@H](C(N)=O)N1CC[NH+](CC1)[*:1]
CC[C@@H](C(N)=O)N1CC[NH+]([C@H](C)COC)CC1 NC(=O)[*:1] CC[C@@H](N1CC[NH+](CC1)[C@H](C)COC)[*:1]
CC[C@@H](C(N)=O)N1CC[NH+]([C@H](C)COC)CC1 COC[*:1] CC[C@@H](C(N)=O)N1CC[NH+](CC1)[C@H](C)[*:1]
O[C@@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O[C@@H](c1ccccn1)c1cccc(F)c1N1CCN(CC1)[*:1]
O[C@@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2ccccc2)CC1 c1ccc(nc1)[*:1] O[C@@H](c1cccc(F)c1N1CCN(CC1)Cc1ccccc1)[*:1]
O[C@@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O[C@@H](c1ccccn1)c1cccc(F)c1N1CCN(CC1)C[*:1]
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1c[nH]nc1C(C)(C)C CC(C)(C)[*:1] C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1c[nH]nc1[*:1]
Cc1ccc2[nH]c3c(SCC(=O)Nc4ccc(Br)cc4)ncnc3c2c1 Brc1ccc(cc1)[*:1] Cc1ccc2[nH]c3c(ncnc3c2c1)SCC(=O)N[*:1]
Cc1nn(-c2ccc(F)c(F)c2)c2ncc3c(c12)C(=O)N(c1cccc2ccccc12)C3=O c1ccc2c(cccc2c1)[*:1] Cc1nn(-c2ccc(F)c(F)c2)c2ncc3C(=O)N(C(=O)c3c12)[*:1]
Cc1nn(-c2ccc(F)c(F)c2)c2ncc3c(c12)C(=O)N(c1cccc2ccccc12)C3=O Fc1ccc(cc1F)[*:1] Cc1nn(c2ncc3C(=O)N(C(=O)c3c12)c1cccc2ccccc12)[*:1]
CC1(C)OC(C)(C)[C@H]([NH3+])[C@@H]1CN(Cc1cccs1)C1CC1 c1csc(c1)C[*:1] CC1(C)OC(C)(C)[C@H]([NH3+])[C@@H]1CN(C1CC1)[*:1]
CC1(C)OC(C)(C)[C@H]([NH3+])[C@@H]1CN(Cc1cccs1)C1CC1 C1CC1[*:1] CC1(C)OC(C)(C)[C@H]([NH3+])[C@@H]1CN(Cc1cccs1)[*:1]
CC1(C)OC(C)(C)[C@H]([NH3+])[C@@H]1CN(Cc1cccs1)C1CC1 c1csc(c1)[*:1] CC1(C)OC(C)(C)[C@H]([NH3+])[C@@H]1CN(C[*:1])C1CC1
CCn1cc(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)cn1 O=C1NCCN1[*:1] CCn1cc(cn1)NC(=O)c1cc(ccc1Cl)[*:1]
CCn1cc(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)cn1 CCn1cc(cn1)[*:1] O=C(N[*:1])c1cc(ccc1Cl)N1CCNC1=O
CSc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 CSc1cccc(c1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)N1CCC[C@@H]1C(=O)N[*:1]
Cc1cccc2c(CCNC(=O)/C=C/C3CC3)c[nH]c12 C(=C[*:1])C1CC1 Cc1cccc2c(c[nH]c12)CCNC(=O)[*:1]
Cc1cccc2c(CCNC(=O)/C=C/C3CC3)c[nH]c12 C1CC1[*:1] Cc1cccc2c(c[nH]c12)CCNC(=O)C=C[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1=O)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1=O CC(C)=C[*:1] CC[C@@]1(NC(=O)N(NC(=O)[C@@H]2[C@H](C2(C)C)[*:1])C1=O)c1ccccc1
C[C@H](C(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1)N1CCCC1=O FC(F)(F)[*:1] C[C@H](C(=O)N1CCc2onc(-c3ccc(cc3)[*:1])c2C1)N1CCCC1=O
C[C@H](C(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1)N1CCCC1=O O=C1CCCN1[*:1] C[C@H](C(=O)N1CCc2onc(-c3ccc(cc3)C(F)(F)F)c2C1)[*:1]
CCN(C(=O)c1cc(S(=O)(=O)N(C)C)oc1C)[C@H]1CCCC[C@@H]1C CN(C)S(=O)(=O)[*:1] CCN(C(=O)c1cc(oc1C)[*:1])[C@H]1CCCC[C@@H]1C
NS(=O)(=O)CCn1ncnc1-c1ccccc1Cl NS(=O)(=O)C[*:1] Clc1ccccc1-c1ncnn1C[*:1]
NS(=O)(=O)CCn1ncnc1-c1ccccc1Cl NS(=O)(=O)[*:1] Clc1ccccc1-c1ncnn1CC[*:1]
NS(=O)(=O)CCn1ncnc1-c1ccccc1Cl NS(=O)(=O)CC[*:1] Clc1ccccc1-c1ncnn1[*:1]
C[C@H](CC(F)(F)F)N[C@H](C)c1nc(-c2ccccc2)cs1 C[C@H](CC(F)(F)F)[*:1] C[C@@H](N[*:1])c1nc(cs1)-c1ccccc1
C[C@H](CC(F)(F)F)N[C@H](C)c1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C[C@H](CC(F)(F)F)N[C@H](C)c1nc(cs1)[*:1]
C[C@H](CC(F)(F)F)N[C@H](C)c1nc(-c2ccccc2)cs1 FC(F)(F)C[*:1] C[C@@H](N[C@@H](C)[*:1])c1nc(cs1)-c1ccccc1
C[C@H](CC(F)(F)F)N[C@H](C)c1nc(-c2ccccc2)cs1 FC(F)(F)[*:1] C[C@H](C[*:1])N[C@H](C)c1nc(cs1)-c1ccccc1
CCCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)c(C)c1 CCC[*:1] Cc1cc(ccc1NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1)O[*:1]
CCCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)c(C)c1 C1CO[C@H](C1)[*:1] CCCOc1ccc(NC(=O)C(=O)N[C@H](C)[*:1])c(C)c1
CCCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)c(C)c1 CCCO[*:1] Cc1cc(ccc1NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1)[*:1]
CN(C(=O)C(=O)NCCCc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] CN(C(=O)C(=O)NCC[*:1])c1ccccc1
CN(C(=O)C(=O)NCCCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)C(=O)NCCCc1ccccc1)[*:1]
CN(C(=O)C(=O)NCCCc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)C(=O)NCCC[*:1])c1ccccc1
COc1cc(CCC(=O)NCc2cc(=O)oc3ccc(C(C)(C)C)cc23)on1 CC(C)(C)[*:1] COc1cc(CCC(=O)NCc2cc(=O)oc3ccc(cc23)[*:1])on1
COc1cc(CCC(=O)NCc2cc(=O)oc3ccc(C(C)(C)C)cc23)on1 COc1cc(on1)[*:1] CC(C)(C)c1ccc2oc(=O)cc(CNC(=O)CC[*:1])c2c1
COc1cc(CCC(=O)NCc2cc(=O)oc3ccc(C(C)(C)C)cc23)on1 COc1cc(CC[*:1])on1 CC(C)(C)c1ccc2oc(=O)cc(CNC(=O)[*:1])c2c1
COc1cc(CCC(=O)NCc2cc(=O)oc3ccc(C(C)(C)C)cc23)on1 COc1cc(C[*:1])on1 CC(C)(C)c1ccc2oc(=O)cc(CNC(=O)C[*:1])c2c1
CCCCCCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C(C)C CC(C)[*:1] CCCCCCN1C(=O)[C@H]2CCCN2C(=O)[C@H]1[*:1]
CCCCCCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C(C)C CCCC[*:1] CC(C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1CC[*:1]
CCCCCCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C(C)C CCCCCC[*:1] CC(C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1[*:1]
CCCCCCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C(C)C CCC[*:1] CC(C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1CCC[*:1]
CCCCCCN1C(=O)[C@H]2CCCN2C(=O)[C@@H]1C(C)C CCCCC[*:1] CC(C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1C[*:1]
C[C@@H](NC(=O)CC1=c2ccccc2=[NH+]C1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CC1C[NH+]=c2ccccc2=1)C(=O)NC[*:1]
C[C@@H](NC(=O)CC1=c2ccccc2=[NH+]C1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)CC1C[NH+]=c2ccccc2=1)C(=O)N[*:1]
Cc1ccccc1NC(=O)CSCc1nc(N)nc(Nc2ccccc2C)n1 Cc1ccccc1[*:1] Cc1ccccc1NC(=O)CSCc1nc(N)nc(n1)N[*:1]
Cc1ccccc1NC(=O)CSCc1nc(N)nc(Nc2ccccc2C)n1 Cc1ccccc1[*:1] Cc1ccccc1Nc1nc(N)nc(CSCC(=O)N[*:1])n1
Cc1ccccc1NC(=O)CSCc1nc(N)nc(Nc2ccccc2C)n1 Cc1ccccc1N[*:1] Cc1ccccc1NC(=O)CSCc1nc(N)nc(n1)[*:1]
COc1cccc(NC(=O)CCSc2nnc(-c3ccccn3)o2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)NC(=O)CCSc1nnc(o1)[*:1]
COc1cccc(NC(=O)CCSc2nnc(-c3ccccn3)o2)c1 COc1cccc(c1)[*:1] O=C(CCSc1nnc(o1)-c1ccccn1)N[*:1]
O=C(NCCc1ccc(Cl)cc1Cl)c1n[nH]c(C2CC2)n1 C1CC1[*:1] O=C(NCCc1ccc(Cl)cc1Cl)c1n[nH]c(n1)[*:1]
COc1cccc(NC(=O)Nc2cnn(Cc3ccccc3Cl)c2)c1 Clc1ccccc1[*:1] COc1cccc(c1)NC(=O)Nc1cnn(c1)C[*:1]
COc1cccc(NC(=O)Nc2cnn(Cc3ccccc3Cl)c2)c1 COc1cccc(c1)[*:1] O=C(Nc1cnn(c1)Cc1ccccc1Cl)N[*:1]
COc1cccc(NC(=O)Nc2cnn(Cc3ccccc3Cl)c2)c1 Clc1ccccc1C[*:1] COc1cccc(c1)NC(=O)Nc1cnn(c1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](Oc2ccc(Br)c(F)c2)C1 CS(=O)(=O)[*:1] Fc1cc(ccc1Br)O[C@@H]1CCC[C@@H](C1)[*:1]
Cc1cc(Sc2nnc(C3CC3)s2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])Sc1nnc(s1)C1CC1
Cc1cc(Sc2nnc(C3CC3)s2)ccc1[N+](=O)[O-] C1CC1[*:1] Cc1cc(ccc1[N+](=O)[O-])Sc1nnc(s1)[*:1]
CN(C)c1ccc(N)c(OC[C@H]2Cc3ccccc3S2)c1 CN(C)[*:1] Nc1ccc(cc1OC[C@H]1Cc2ccccc2S1)[*:1]
OCCN(Cc1ccccc1)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 OCCN(Cc1ccccc1)[*:1] c1nc(c2sc3nc(c4CCCc4c3c2n1)N1CCOCC1)[*:1]
OCCN(Cc1ccccc1)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 C1CN(CCO1)[*:1] OCCN(Cc1ccccc1)c1ncnc2c1sc1nc(c3CCCc3c12)[*:1]
OCCN(Cc1ccccc1)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 OCC[*:1] c1ccc(cc1)CN(c1ncnc2c1sc1nc(c3CCCc3c12)N1CCOCC1)[*:1]
OCCN(Cc1ccccc1)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 c1ccc(cc1)[*:1] OCCN(C[*:1])c1ncnc2c1sc1nc(c3CCCc3c12)N1CCOCC1
OCCN(Cc1ccccc1)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 c1ccc(cc1)C[*:1] OCCN(c1ncnc2c1sc1nc(c3CCCc3c12)N1CCOCC1)[*:1]
COC(=O)[C@@H]1CCN(C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)C1 COC(=O)[*:1] C[C@H](CC(=O)N1CC[C@H](C1)[*:1])Cc1ccc(Cl)cc1
COC(=O)[C@@H]1CCN(C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)C[C@@H](C)C[*:1]
Cc1n[nH]c(SCC(=O)N(C)[C@H](c2ccc(F)cc2)C2CC2)n1 C1CC1[*:1] Cc1n[nH]c(n1)SCC(=O)N(C)[C@H](c1ccc(F)cc1)[*:1]
Cc1n[nH]c(SCC(=O)N(C)[C@H](c2ccc(F)cc2)C2CC2)n1 Cc1n[nH]c(n1)[*:1] CN(C(=O)CS[*:1])[C@H](c1ccc(F)cc1)C1CC1
Cc1n[nH]c(SCC(=O)N(C)[C@H](c2ccc(F)cc2)C2CC2)n1 Fc1ccc(cc1)[*:1] Cc1n[nH]c(n1)SCC(=O)N(C)[C@H](C1CC1)[*:1]
Cc1n[nH]c(SCC(=O)N(C)[C@H](c2ccc(F)cc2)C2CC2)n1 Cc1n[nH]c(n1)S[*:1] CN(C(=O)C[*:1])[C@H](c1ccc(F)cc1)C1CC1
C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 C[C@H](O)[*:1] C[C@H](C[NH2+][C@@H]1CCN(C1)CC(F)(F)F)C[*:1]
C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 C[C@H](O)C[*:1] C[C@H](C[NH2+][C@@H]1CCN(C1)CC(F)(F)F)[*:1]
C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 C[C@H](O)C[C@H](C)[*:1] FC(F)(F)CN1CC[C@H](C1)[NH2+]C[*:1]
C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCN(C1)C[*:1]
C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCN(C1)[*:1]
CCCC1=NC(SCC2=NC(=O)C3=C4CC[C@H](C)C[C@H]4SC3=N2)=NC(=O)C1 CCC[*:1] C[C@H]1CCC2=C3C(=O)N=C(CSC4=NC(=O)CC(=N4)[*:1])N=C3S[C@@H]2C1
C[C@H](CO)NC(=O)C(=O)Nc1ccccc1I C[C@H](CO)[*:1] O=C(Nc1ccccc1I)C(=O)N[*:1]
CNC(=O)CCc1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(cc1)CC[*:1]
COc1ccc(Cl)cc1NCC(=O)NCC1CC1 C1CC1C[*:1] COc1ccc(Cl)cc1NCC(=O)N[*:1]
COc1ccc(Cl)cc1NCC(=O)NCC1CC1 C1CC1[*:1] COc1ccc(Cl)cc1NCC(=O)NC[*:1]
CCc1ccc([C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2F)cc1 CC(=O)N[*:1] CCc1ccc(cc1)[C@H](C)C(=O)Nc1cc(ccc1F)[*:1]
CCc1ccc([C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2F)cc1 CCc1ccc(cc1)[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)[C@@H](C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)C1(C#N)CCC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=C/C(=O)N(C)C1(C#N)CCC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)C1(C#N)CCC1 N#CC1(CCC1)[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)[*:1]
COC(=O)[C@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@H]1C Fc1ccc(cc1)[*:1] COC(=O)[C@H]1CN(C[C@H]1C)C(=O)CC[*:1]
COC(=O)[C@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@@H]1[*:1])C(=O)CCc1ccc(F)cc1
COc1cccc(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c1 Fc1cccc(F)c1[*:1] COc1cccc(c1)NC(=O)N[C@@H]1CCN(C1)[*:1]
COc1cccc(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c1 COc1cccc(c1)[*:1] O=C(N[C@@H]1CCN(C1)c1c(F)cccc1F)N[*:1]
C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccc(-c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)NNC(=O)c1cnn(C)c1)c1ccc(-c2ccncc2)cc1 Cn1cc(cn1)[*:1] C[C@@H](NC(=O)NNC(=O)[*:1])c1ccc(cc1)-c1ccncc1
COc1cccc2ccc(C[NH+]3CCC(N4CCC(C(=O)NC5CC5)CC4)CC3)nc12 O=C(NC1CC1)[*:1] COc1cccc2ccc(C[NH+]3CCC(CC3)N3CCC(CC3)[*:1])nc12
COc1cccc2ccc(C[NH+]3CCC(N4CCC(C(=O)NC5CC5)CC4)CC3)nc12 C1CC1[*:1] COc1cccc2ccc(C[NH+]3CCC(CC3)N3CCC(CC3)C(=O)N[*:1])nc12
CCn1ccc2ccc(NC(=O)CCn3cc[nH+]c3C(C)C)cc21 CC(C)[*:1] CCn1ccc2ccc(cc21)NC(=O)CCn1cc[nH+]c1[*:1]
COC(=O)c1cc(C)ccc1NCc1nnc(C(C)(C)C)o1 COC(=O)[*:1] Cc1ccc(NCc2nnc(o2)C(C)(C)C)c(c1)[*:1]
COC(=O)c1cc(C)ccc1NCc1nnc(C(C)(C)C)o1 CC(C)(C)[*:1] COC(=O)c1cc(C)ccc1NCc1nnc(o1)[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 O=C(Nc1ccccc1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 CC(C)(C)[*:1] O=C(Nc1ccccc1)C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)C(=O)N[*:1]
O=C1[C@H]2[C@H](C(=O)N1c1nccs1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 O=[N+]([O-])[*:1] O=C1[C@H]2[C@H](C(=O)N1c1nccs1)C1c3ccccc3C2(c2ccccc21)[*:1]
O=C1[C@H]2[C@H](C(=O)N1c1nccs1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 c1csc(n1)[*:1] O=C1[C@H]2[C@H](C(=O)N1[*:1])C1c3ccccc3C2(c2ccccc21)[N+](=O)[O-]
CCc1nnc(SCCC(=O)Nc2ccc(C)cc2)n1-c1ccccc1 Cc1ccc(cc1)[*:1] CCc1nnc(SCCC(=O)N[*:1])n1-c1ccccc1
CCc1nnc(SCCC(=O)Nc2ccc(C)cc2)n1-c1ccccc1 c1ccc(cc1)[*:1] CCc1nnc(SCCC(=O)Nc2ccc(C)cc2)n1[*:1]
CCS(=O)(=O)NC[C@H]1CC(=O)N(c2ccccc2)C1 CCS(=O)(=O)N[*:1] O=C1C[C@@H](CN1c1ccccc1)C[*:1]
CCS(=O)(=O)NC[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CCS(=O)(=O)NC[C@H]1CC(=O)N(C1)[*:1]
Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n(C)c12 O=S(=O)(N1CCCC1)[*:1] Cc1cccc2s/c(=N/C(=O)c3ccc(cc3)[*:1])n(C)c12
COc1ccc(NC(=O)C[C@H](c2ccco2)n2cccc2)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)NC(=O)C[C@H](n1cccc1)[*:1]
COc1ccc(NC(=O)C[C@H](c2ccco2)n2cccc2)cc1OC c1ccn(c1)[*:1] COc1ccc(cc1OC)NC(=O)C[C@H](c1ccco1)[*:1]
C[C@H](SCC(=O)N[C@H]1CCCC[C@@H]1C)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] C[C@H](SCC(=O)N[C@H]1CCCC[C@@H]1C)c1nc(N)nc(n1)[*:1]
C[C@H](SCC(=O)N[C@H]1CCCC[C@@H]1C)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@H](SCC(=O)N[C@H]1CCCC[C@@H]1C)c1nc(N)nc(n1)N[*:1]
C[C@H](SCC(=O)N[C@H]1CCCC[C@@H]1C)c1nc(N)nc(Nc2ccccc2)n1 C[C@H]1CCCC[C@@H]1[*:1] C[C@H](SCC(=O)N[*:1])c1nc(N)nc(n1)Nc1ccccc1
CC[C@H]1CCCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)C1 CC(C)(C)[*:1] CC[C@H]1CCCN(C1)C(=O)c1cccc(c1)NC(=O)[*:1]
CC[C@H]1CCCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)C1 CC(C)(C)C(=O)N[*:1] CC[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
C[C@@H](CNC(=O)N[C@H](C)c1nncn1C)Cc1cccs1 Cn1cnnc1[*:1] C[C@@H](CNC(=O)N[C@H](C)[*:1])Cc1cccs1
C[C@@H](CNC(=O)N[C@H](C)c1nncn1C)Cc1cccs1 c1csc(c1)C[*:1] C[C@@H](NC(=O)NC[C@H](C)[*:1])c1nncn1C
C[C@@H](CNC(=O)N[C@H](C)c1nncn1C)Cc1cccs1 c1csc(c1)[*:1] C[C@@H](CNC(=O)N[C@H](C)c1nncn1C)C[*:1]
Cc1nn(C)c(C)c1C[C@H](C)Nc1c(C#N)cnc2ccc(Cl)cc12 Cc1nn(C)c(C)c1[*:1] C[C@@H](C[*:1])Nc1c(C#N)cnc2ccc(Cl)cc12
Cc1cc(Cl)ccc1OCc1ccc(C(=O)N2N=CC[C@]2(O)C(F)(F)F)o1 Cc1cc(Cl)ccc1[*:1] O=C(c1ccc(CO[*:1])o1)N1N=CC[C@]1(O)C(F)(F)F
Cc1cc(Cl)ccc1OCc1ccc(C(=O)N2N=CC[C@]2(O)C(F)(F)F)o1 Cc1cc(Cl)ccc1O[*:1] O=C(c1ccc(C[*:1])o1)N1N=CC[C@]1(O)C(F)(F)F
Cc1cc(Cl)ccc1OCc1ccc(C(=O)N2N=CC[C@]2(O)C(F)(F)F)o1 FC(F)(F)[*:1] Cc1cc(Cl)ccc1OCc1ccc(o1)C(=O)N1N=CC[C@@]1(O)[*:1]
C[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])[*:1]
C[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)Nc1ccccc1[*:1])[C@@H]1CCCO1
O=C(CCc1ccccc1)N1CCC[C@@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(CCc1ccccc1)N1CCC[C@H]1[*:1]
O=C(CCc1ccccc1)N1CCC[C@@H]1c1ccc[nH]1 c1ccc(cc1)[*:1] O=C(CC[*:1])N1CCC[C@@H]1c1ccc[nH]1
CN[C@@]1(C(N)=O)CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 C1CC1C[*:1] CN[C@]1(CC[C@@H](C1)N1CC[NH+](CC1)[*:1])C(N)=O
CN[C@@]1(C(N)=O)CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 NC(=O)[*:1] CN[C@]1(CC[C@@H](C1)N1CC[NH+](CC1)CC1CC1)[*:1]
CN[C@@]1(C(N)=O)CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 C1CC1[*:1] CN[C@]1(CC[C@@H](C1)N1CC[NH+](CC1)C[*:1])C(N)=O
C=CCC(CC=C)[C@@]12CC(=O)C[C@@H]1CC1(C2)OCCO1 C=CC[*:1] C=CCC([C@@]12CC(=O)C[C@@H]1CC1(C2)OCCO1)[*:1]
Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)n2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)-c1n[nH]c(n1)SCC(=O)Nc1ccc(cc1Br)[*:1]
Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)n2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nc(n[nH]1)[*:1])Nc1ccc(cc1Br)[N+](=O)[O-]
C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(CO)COC1 OCC1(COC1)[*:1] C[C@H]1Cc2ccccc2[C@H]1[NH2+]C[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC#N N#CC[*:1] CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)O[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC#N CCO[*:1] N#CCOC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Br)ccc1[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC#N N#CCOC(=O)[*:1] CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1[*:1]
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OCC)cc2)n1 CCCS(=O)(=O)[*:1] CCOc1ccc(cc1)NC(=O)c1nc(ncc1Cl)[*:1]
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OCC)cc2)n1 CCC[*:1] CCOc1ccc(cc1)NC(=O)c1nc(ncc1Cl)S(=O)(=O)[*:1]
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OCC)cc2)n1 CCO[*:1] CCCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)[*:1]
Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)cn1 Cc1nccn1[*:1] c1cc(ncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2)[*:1]
CC1=NN[C@H](SCC(=O)Nc2nc(C)cs2)N1C Cc1csc(n1)[*:1] CC1=NN[C@H](SCC(=O)N[*:1])N1C
CC(C)OCc1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1 Fc1ccc(F)c(c1)[*:1] CC(C)OCc1ccc(cc1)CNS(=O)(=O)[*:1]
CC(C)OCc1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1 CC(C)[*:1] O=S(=O)(NCc1ccc(cc1)CO[*:1])c1cc(F)ccc1F
CC(C)OCc1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1 CC(C)O[*:1] O=S(=O)(NCc1ccc(cc1)C[*:1])c1cc(F)ccc1F
CC(C)OCc1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1 CC(C)OC[*:1] O=S(=O)(NCc1ccc(cc1)[*:1])c1cc(F)ccc1F
Cn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2sccc2c1=O N#CC[*:1] Cn1c(nc2sccc2c1=O)SCC(=O)N(C[*:1])c1ccccc1
Cn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2sccc2c1=O N#CCC[*:1] Cn1c(nc2sccc2c1=O)SCC(=O)N(c1ccccc1)[*:1]
Cn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2sccc2c1=O c1ccc(cc1)[*:1] Cn1c(nc2sccc2c1=O)SCC(=O)N(CCC#N)[*:1]
COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)N[C@H](C)c2ccccc2)c1C COC(=O)[*:1] Cc1c(sc(NC(=O)c2ccc(F)cc2)c1[*:1])C(=O)N[C@H](C)c1ccccc1
COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)N[C@H](C)c2ccccc2)c1C c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)N[C@H](C)[*:1])c1C
COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)N[C@H](C)c2ccccc2)c1C C[C@H](c1ccccc1)[*:1] COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)N[*:1])c1C
COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)N[C@H](C)c2ccccc2)c1C O=C(N[*:1])c1ccc(F)cc1 COC(=O)c1c(sc(C(=O)N[C@H](C)c2ccccc2)c1C)[*:1]
COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)N[C@H](C)c2ccccc2)c1C Fc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)N[C@H](C)c2ccccc2)c1C
C[C@H]([C@@H]1CCC[NH2+]C1)N1CC(c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]([C@@H]1CCC[NH2+]C1)N1CC(C1)[*:1]
O=C([O-])Cc1csc(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)n1 Fc1cccc(c1)[*:1] O=C([O-])Cc1csc(n1)N1C(=O)C[C@H](N[*:1])C1=O
O=C([O-])Cc1csc(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)n1 O=C([O-])[*:1] O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1c1nc(cs1)C[*:1]
O=C([O-])Cc1csc(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)n1 Fc1cccc(c1)N[*:1] O=C([O-])Cc1csc(n1)N1C(=O)C[C@H](C1=O)[*:1]
O=C([O-])Cc1csc(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)n1 O=C([O-])C[*:1] O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1c1nc(cs1)[*:1]
COc1ccc(OC)c(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 C1CC1[*:1] COc1ccc(OC)c(c1)NC(=O)N([C@@H](C)c1ccco1)[*:1]
COc1ccc(OC)c(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 c1coc(c1)[*:1] COc1ccc(OC)c(c1)NC(=O)N(C1CC1)[C@@H](C)[*:1]
COCCn1ccc2ccc(NC(=O)N3CCC[C@@H](C)[C@H]3CO)cc21 COCC[*:1] C[C@@H]1CCCN(C(=O)Nc2ccc3ccn(c3c2)[*:1])[C@@H]1CO
COCCn1ccc2ccc(NC(=O)N3CCC[C@@H](C)[C@H]3CO)cc21 COC[*:1] C[C@@H]1CCCN(C(=O)Nc2ccc3ccn(C[*:1])c3c2)[C@@H]1CO
COC(=O)[C@H]1CCCN1C(=O)c1csc(C#CCO)c1 COC(=O)[*:1] O=C(c1csc(C#CCO)c1)N1CCC[C@@H]1[*:1]
COC(=O)[C@H]1CCCN1C(=O)c1csc(C#CCO)c1 OCC#C[*:1] COC(=O)[C@H]1CCCN1C(=O)c1csc(c1)[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)C1CCN(CC1)C(=O)[*:1]
C=CCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O C1CCC(CC1)[*:1] C=CCn1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
C=CCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O C=CC[*:1] O=C(Cn1c(=O)n(c(=O)c2ccccc21)[*:1])NC1CCCCC1
CCN(c1ccccc1)S(=O)(=O)c1cccc2cnccc12 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1cccc2cnccc12)[*:1]
C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1O[*:1]
C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC[*:1]
C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 C1CO[C@@H](C1)CO[*:1] C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1[*:1]
Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 O=[N+]([O-])[*:1] Cn1c(nc2ccccc21)-c1ccc(cc1)[*:1]
CC[C@@H]1CN(C(=O)CN(C)C(=O)c2cccs2)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@@H]1[*:1])C(=O)CN(C)C(=O)c1cccs1
CC[C@@H]1CN(C(=O)CN(C)C(=O)c2cccs2)CC[C@H]1c1ccccc1 c1csc(c1)[*:1] CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)CN(C)C(=O)[*:1]
Cc1ccc(NC(=O)C[NH+](C)Cc2ccccc2N2CCCCC2)cc1S(N)(=O)=O C1CCN(CC1)[*:1] Cc1ccc(cc1S(N)(=O)=O)NC(=O)C[NH+](C)Cc1ccccc1[*:1]
Cc1ccc(NC(=O)C[NH+](C)Cc2ccccc2N2CCCCC2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)C[NH+](C)Cc1ccccc1N1CCCCC1
Cc1ccc(O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCC(CC1)C(N)=O
Cc1ccc(O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 NC(=O)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)N1CCC(CC1)[*:1]
CCc1cnc(CCNC(=O)C[C@H](C)C(C)(C)C)s1 CC(C)(C)[*:1] CCc1cnc(CCNC(=O)C[C@H](C)[*:1])s1
CCc1cnc(CCNC(=O)C[C@H](C)C(C)(C)C)s1 C[C@H](C(C)(C)C)[*:1] CCc1cnc(CCNC(=O)C[*:1])s1
Cc1csc(=O)n1CC(=O)OCC(=O)N[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1csc(=O)n1CC(=O)OCC(=O)N[C@H](C)[*:1]
Cc1csc(=O)n1CC(=O)OCC(=O)N[C@H](C)c1ccc(F)cc1 Cc1csc(=O)n1C[*:1] C[C@@H](NC(=O)COC(=O)[*:1])c1ccc(F)cc1
Cc1csc(=O)n1CC(=O)OCC(=O)N[C@H](C)c1ccc(F)cc1 Cc1csc(=O)n1[*:1] C[C@@H](NC(=O)COC(=O)C[*:1])c1ccc(F)cc1
O=C(NCc1cccc(OCc2ccccc2)c1)C(=O)Nc1cccnc1 c1ccc(cc1)[*:1] O=C(NCc1cccc(c1)OC[*:1])C(=O)Nc1cccnc1
O=C(NCc1cccc(OCc2ccccc2)c1)C(=O)Nc1cccnc1 c1ccc(cc1)CO[*:1] O=C(NCc1cccc(c1)[*:1])C(=O)Nc1cccnc1
O=C(NCc1cccc(OCc2ccccc2)c1)C(=O)Nc1cccnc1 c1cncc(c1)[*:1] O=C(NCc1cccc(c1)OCc1ccccc1)C(=O)N[*:1]
O=C(NCc1cccc(OCc2ccccc2)c1)C(=O)Nc1cccnc1 c1ccc(cc1)C[*:1] O=C(NCc1cccc(c1)O[*:1])C(=O)Nc1cccnc1
O=C(NC[C@H]1C[C@@]12CCc1ccccc12)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)N1CCN(CC1)[*:1]
Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2[NH2+]Cc1ccc(C#CC(C)(C)O)cc1 CC(C)(O)C#C[*:1] Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2[NH2+]Cc1ccc(cc1)[*:1]
Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2[NH2+]Cc1ccc(C#CC(C)(C)O)cc1 Cc1ccccc1[*:1] CC(C)(O)C#Cc1ccc(cc1)C[NH2+][C@H]1CC(C)(C)Cc2c1cnn2[*:1]
Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2[NH2+]Cc1ccc(C#CC(C)(C)O)cc1 CC(C)(O)[*:1] Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2[NH2+]Cc1ccc(C#C[*:1])cc1
N#Cc1c(/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)sc2c1CCCC2 c1ccc(cc1)C[*:1] N#Cc1c(/N=C/c2ccc(cc2)OCC(=O)N[*:1])sc2CCCCc21
N#Cc1c(/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)sc2c1CCCC2 c1ccc(cc1)[*:1] N#Cc1c(/N=C/c2ccc(cc2)OCC(=O)NC[*:1])sc2CCCCc21
N#Cc1c(/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)sc2c1CCCC2 O=C(NCc1ccccc1)[*:1] N#Cc1c(/N=C/c2ccc(cc2)OC[*:1])sc2CCCCc21
Cc1cc(Cl)c(C(C)C)cc1Oc1cc([C@@H](C)[NH3+])ccn1 CC(C)[*:1] Cc1cc(Cl)c(cc1Oc1cc(ccn1)[C@@H](C)[NH3+])[*:1]
COc1cccc2cc(CNc3ccccc3)oc12 c1ccc(cc1)[*:1] COc1cccc2cc(CN[*:1])oc12
Cc1ccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@H](CNC(=O)Cc1ccccc1[*:1])N1CCOCC1
Cc1ccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](N1CCOCC1)[*:1]
Cc1ccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[*:1]
Cc1ccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 O=[N+]([O-])c1ccccc1[*:1] Cc1ccc(cc1)[C@H](CNC(=O)C[*:1])N1CCOCC1
CC[NH+](CC)C[C@@H]1CCN(Cc2cc(-c3ccccc3)[nH]n2)C1 c1ccc(cc1)[*:1] CC[NH+](CC)C[C@@H]1CCN(Cc2cc([nH]n2)[*:1])C1
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Br)ccc1F Fc1ccc(Br)cc1[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[*:1]
Cc1nc([C@H](C)NC(=O)COc2ccc(F)cc2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@H](NC(=O)COc1ccc(F)cc1)[*:1]
C[C@@H](CNC(=O)c1cccnc1)N1CCc2ccccc21 c1cncc(c1)[*:1] C[C@@H](CNC(=O)[*:1])N1CCc2ccccc21
COc1cc(C(=O)N(C[C@H]2C=c3cccc(C)c3=[NH+]C2=O)c2cccc(C)c2)cc(OC)c1OC Cc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N(C[C@H]1C=c2cccc(C)c2=[NH+]C1=O)[*:1]
CC[C@@H](C)CN(CC)C(=O)Nc1c(Br)cccc1C(=O)[O-] CC[C@@H](C)[*:1] CCN(C[*:1])C(=O)Nc1c(Br)cccc1C(=O)[O-]
CC[C@@H](C)CN(CC)C(=O)Nc1c(Br)cccc1C(=O)[O-] CC[C@@H](C)C[*:1] CCN(C(=O)Nc1c(Br)cccc1C(=O)[O-])[*:1]
CC[C@@H](C)CN(CC)C(=O)Nc1c(Br)cccc1C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)CN(CC)C(=O)Nc1c(Br)cccc1[*:1]
COC(=O)[C@@]1(Nc2cc(C)cc(F)c2)CCC[C@H](C)CC1 COC(=O)[*:1] Cc1cc(F)cc(c1)N[C@]1(CCC[C@H](C)CC1)[*:1]
Cc1nc(CNc2ccc(-n3ncn(C)c3=O)cc2)oc1C Cc1nc(oc1C)[*:1] Cn1cnn(-c2ccc(cc2)NC[*:1])c1=O
Cc1nc(CNc2ccc(-n3ncn(C)c3=O)cc2)oc1C Cn1cnn(c1=O)[*:1] Cc1nc(CNc2ccc(cc2)[*:1])oc1C
CCOCc1ccccc1NC(=O)N[C@@H](CO)c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] CCOCc1ccccc1NC(=O)N[C@@H](CO)[*:1]
CCOCc1ccccc1NC(=O)N[C@@H](CO)c1ccc(Cl)c(F)c1 CCO[*:1] O=C(Nc1ccccc1C[*:1])N[C@@H](CO)c1ccc(Cl)c(F)c1
CCOCc1ccccc1NC(=O)N[C@@H](CO)c1ccc(Cl)c(F)c1 CCOC[*:1] O=C(Nc1ccccc1[*:1])N[C@@H](CO)c1ccc(Cl)c(F)c1
COc1ccccc1[C@@H](NC(=O)[C@H](C)c1cccs1)c1noc(C)n1 C[C@H](c1cccs1)[*:1] COc1ccccc1[C@@H](NC(=O)[*:1])c1noc(C)n1
COc1ccccc1[C@@H](NC(=O)[C@H](C)c1cccs1)c1noc(C)n1 COc1ccccc1[*:1] Cc1nc(no1)[C@H](NC(=O)[C@H](C)c1cccs1)[*:1]
COc1ccccc1[C@@H](NC(=O)[C@H](C)c1cccs1)c1noc(C)n1 c1csc(c1)[*:1] COc1ccccc1[C@@H](NC(=O)[C@H](C)[*:1])c1noc(C)n1
COc1ccccc1[C@@H](NC(=O)[C@H](C)c1cccs1)c1noc(C)n1 Cc1nc(no1)[*:1] COc1ccccc1[C@@H](NC(=O)[C@H](C)c1cccs1)[*:1]
Cc1c(Cl)cccc1NC(=O)CNc1ccc(C(=O)N(C)C)cc1 Cc1c(Cl)cccc1[*:1] CN(C)C(=O)c1ccc(cc1)NCC(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)CNc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] Cc1c(Cl)cccc1NC(=O)CNc1ccc(cc1)[*:1]
CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F CNC(=O)[*:1] Fc1cc(ccc1[*:1])-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1
CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F c1cnc2ccc(cc2c1)[*:1] CNC(=O)c1ccc(cc1F)-c1cnc2ncc(C[*:1])n2n1
COc1ccc(OC[C@H](O)Cn2nc(-c3ccco3)oc2=O)cc1 COc1ccc(cc1)[*:1] O=c1oc(nn1C[C@@H](O)CO[*:1])-c1ccco1
COc1ccc(OC[C@H](O)Cn2nc(-c3ccco3)oc2=O)cc1 c1coc(c1)[*:1] COc1ccc(cc1)OC[C@H](O)Cn1nc(oc1=O)[*:1]
Cn1cc(C#N)cc1C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cn1cc(C#N)cc1C(=O)N[C@H]1C[C@H]1[*:1]
Cc1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)C(=O)NCC[NH+]2CCN(CC2)[*:1])c2ccccc2n1
COc1cc(C(=O)NCc2ccoc2C)cc(OC)c1OC Cc1occc1C[*:1] COc1cc(cc(OC)c1OC)C(=O)N[*:1]
COc1cc(C(=O)NCc2ccoc2C)cc(OC)c1OC Cc1occc1[*:1] COc1cc(cc(OC)c1OC)C(=O)NC[*:1]
COC(=O)c1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1Cl FC(F)(F)[*:1] COC(=O)c1ccc(cc1Cl)NC(=O)c1ncccc1[*:1]
COC(=O)c1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1Cl COC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1ncccc1C(F)(F)F
CCN(C(=O)NCCC(=O)N1C[C@H](C)O[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 C[C@@H](c1ccc(F)cc1)[*:1] CCN(C(=O)NCCC(=O)N1C[C@H](C)O[C@H](C)C1)[*:1]
CCN(C(=O)NCCC(=O)N1C[C@H](C)O[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)NCCC(=O)N1C[C@H](C)O[C@H](C)C1)[C@@H](C)[*:1]
OCCc1c(F)c(F)c(F)c(F)c1F OCC[*:1] Fc1c(F)c(F)c(c(F)c1F)[*:1]
CCCCN(CC)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CCCCN(CC)C(=O)N[C@@H]1C[C@H](C)N(C1)[*:1]
CCCCN(CC)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 CCC[*:1] CCN(C[*:1])C(=O)N[C@@H]1C[C@H](C)N(C1)c1ccccc1
CCCCN(CC)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 CCCC[*:1] CCN(C(=O)N[C@@H]1C[C@H](C)N(C1)c1ccccc1)[*:1]
COc1c(C(=O)[O-])cccc1-c1cc(C)ccc1C O=C([O-])[*:1] COc1c(cccc1[*:1])-c1cc(C)ccc1C
CCc1cccc(C)c1NC(=O)CNc1ccc(C(=O)NC(C)C)c(C)c1 CC(C)NC(=O)[*:1] CCc1cccc(C)c1NC(=O)CNc1ccc(c(C)c1)[*:1]
CCc1cccc(C)c1NC(=O)CNc1ccc(C(=O)NC(C)C)c(C)c1 CC(C)[*:1] CCc1cccc(C)c1NC(=O)CNc1ccc(C(=O)N[*:1])c(C)c1
CCc1cccc(C)c1NC(=O)CNc1ccc(C(=O)NC(C)C)c(C)c1 CCc1cccc(C)c1[*:1] Cc1cc(ccc1C(=O)NC(C)C)NCC(=O)N[*:1]
Cc1ccc(-c2noc(/C(C#N)=C/c3cccs3)n2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)-c1noc(n1)C(C#N)=C[*:1]
Cc1ccc(-c2noc(/C(C#N)=C/c3cccs3)n2)cc1 Cc1ccc(cc1)[*:1] N#C/C(=C\c1cccs1)c1nc(no1)[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)[C@@H](C)CSC)C1 CSC[*:1] CCCCNC(=O)[C@H]1CC[C@@H](C)N(C1)C(=O)[C@@H](C)[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)[C@@H](C)CSC)C1 CCCCNC(=O)[*:1] CSC[C@H](C)C(=O)N1C[C@H](CC[C@H]1C)[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)[C@@H](C)CSC)C1 CSC[C@H](C)[*:1] CCCCNC(=O)[C@H]1CC[C@@H](C)N(C1)C(=O)[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)[C@@H](C)CSC)C1 CCC[*:1] CSC[C@H](C)C(=O)N1C[C@H](CC[C@H]1C)C(=O)NC[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)[C@@H](C)CSC)C1 CCCC[*:1] CSC[C@H](C)C(=O)N1C[C@H](CC[C@H]1C)C(=O)N[*:1]
N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 O=C(NC1CCCCC1)[*:1] N#C[C@@H](C(=O)[C@H]1CCCN(C1)C(=O)c1ccc(F)cc1)[*:1]
N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 C1CCC(CC1)[*:1] N#C[C@@H](C(=O)N[*:1])C(=O)[C@H]1CCCN(C1)C(=O)c1ccc(F)cc1
COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@H]2[C@H]2COC(C)(C)O2)cc1OC CC1(C)OC[C@@H](O1)[*:1] COc1ccc(cc1OC)CN1C(=O)[C@@H]([NH3+])[C@@H]1[*:1]
CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 c1cc(cs1)[*:1] CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[*:1]
CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 CS(=O)(=O)[*:1] c1cc(cs1)C[NH2+][C@@H]1CCCC[C@H]1[*:1]
CC[C@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O Clc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1cc2C(=O)N(CCCn2n1)C[*:1]
CC[C@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O Clc1ccc(cc1)C[*:1] CC[C@H](C)NC(=O)c1cc2C(=O)N(CCCn2n1)[*:1]
CC[C@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O CC[C@H](C)[*:1] O=C(N[*:1])c1cc2C(=O)N(CCCn2n1)Cc1ccc(Cl)cc1
CC[C@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O CC[C@H](C)NC(=O)[*:1] O=C1c2cc(nn2CCCN1Cc1ccc(Cl)cc1)[*:1]
C=CCN(C(=O)CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] C=CCN(C(=O)CS[C@H]1N=C2N=NC=C2C(=O)N1[*:1])c1ccccc1
C=CCN(C(=O)CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccc(Cl)cc1)[*:1]
C=CCN(C(=O)CS[C@H]1N=C2N=NC=C2C(=O)N1c1ccc(Cl)cc1)c1ccccc1 C=CC[*:1] O=C1C2=CN=NC2=N[C@H](SCC(=O)N(c2ccccc2)[*:1])N1c1ccc(Cl)cc1
C[C@H](NC(=O)Nc1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)Nc1cccc(c1)C[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)Nc1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)Nc1cccc(c1)CS(C)(=O)=O)[*:1]
C[C@H](NC(=O)Nc1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)cc1 CS(=O)(=O)C[*:1] C[C@H](NC(=O)Nc1cccc(c1)[*:1])c1ccc(Cl)cc1
CC(C)(C)OC(=O)N[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3o2)C1 CC(C)(C)OC(=O)N[*:1] O=[N+]([O-])c1ccc2oc(nc2c1)N1CCC[C@@H](C1)[*:1]
CC(C)(C)OC(=O)N[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3o2)C1 CC(C)(C)[*:1] O=C(N[C@H]1CCCN(C1)c1nc2cc(ccc2o1)[N+](=O)[O-])O[*:1]
CC(C)(C)OC(=O)N[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3o2)C1 O=[N+]([O-])[*:1] CC(C)(C)OC(=O)N[C@H]1CCCN(C1)c1nc2cc(ccc2o1)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2F)n1 Fc1ccccc1[*:1] C[C@H]1Cc2ccccc2N1C(=O)Cn1nnc(n1)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1ccc(F)c(F)c1)c1ccccc1 COC(=O)[*:1] C[C@@H]([C@@H](NC(=O)Cc1ccc(F)c(F)c1)c1ccccc1)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1ccc(F)c(F)c1)c1ccccc1 Fc1ccc(cc1F)[*:1] COC(=O)[C@@H](C)[C@@H](NC(=O)C[*:1])c1ccccc1
COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1ccc(F)c(F)c1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1ccc(F)c(F)c1)[*:1]
COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1ccc(F)c(F)c1)c1ccccc1 COC(=O)[C@@H](C)[*:1] O=C(Cc1ccc(F)c(F)c1)N[C@@H](c1ccccc1)[*:1]
O=C(Nn1c(=S)[nH]c2sc(Cc3ccccc3)cc2c1=O)c1ccco1 c1ccc(cc1)[*:1] O=C(Nn1c(=S)[nH]c2sc(cc2c1=O)C[*:1])c1ccco1
O=C(Nn1c(=S)[nH]c2sc(Cc3ccccc3)cc2c1=O)c1ccco1 c1ccc(cc1)C[*:1] O=C(Nn1c(=S)[nH]c2sc(cc2c1=O)[*:1])c1ccco1
O=C(Nn1c(=S)[nH]c2sc(Cc3ccccc3)cc2c1=O)c1ccco1 c1coc(c1)[*:1] O=C(Nn1c(=S)[nH]c2sc(cc2c1=O)Cc1ccccc1)[*:1]
CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(-c2nc[nH]n2)c1 c1nc(n[nH]1)[*:1] CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(-c2nc[nH]n2)c1 CC(C)[*:1] [NH3+][C@@H]1C[C@@H](C(=O)N[*:1])N(C1)C(=O)c1cccc(c1)-c1nc[nH]n1
CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(-c2nc[nH]n2)c1 CC(C)NC(=O)[*:1] [NH3+][C@@H]1C[C@H](N(C1)C(=O)c1cccc(c1)-c1nc[nH]n1)[*:1]
C=CCC(CCC)(C(=O)[O-])C(=O)[O-] CCC[*:1] C=CCC(C(=O)[O-])(C(=O)[O-])[*:1]
C=CCC(CCC)(C(=O)[O-])C(=O)[O-] O=C([O-])[*:1] C=CCC(CCC)(C(=O)[O-])[*:1]
C=CCC(CCC)(C(=O)[O-])C(=O)[O-] C=CC[*:1] CCCC(C(=O)[O-])(C(=O)[O-])[*:1]
c1nc(NCC2CC[NH2+]CC2)cc(N2CCCCC2)n1 C1CCN(CC1)[*:1] c1nc(cc(n1)[*:1])NCC1CC[NH2+]CC1
S=C(Nc1ccc(Cl)cc1Cl)N[C@H](Cn1cc[nH+]c1)c1ccccc1 Clc1ccc(c(Cl)c1)[*:1] S=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)N[*:1]
S=C(Nc1ccc(Cl)cc1Cl)N[C@H](Cn1cc[nH+]c1)c1ccccc1 c1ccc(cc1)[*:1] S=C(Nc1ccc(Cl)cc1Cl)N[C@H](Cn1cc[nH+]c1)[*:1]
Cc1ccc(C[NH+](CC(=O)NCC(=O)N2CCCC2)C(C)C)s1 CC(C)[*:1] Cc1ccc(C[NH+](CC(=O)NCC(=O)N2CCCC2)[*:1])s1
Cc1ccc(C[NH+](CC(=O)NCC(=O)N2CCCC2)C(C)C)s1 O=C(N1CCCC1)[*:1] Cc1ccc(C[NH+](CC(=O)NC[*:1])C(C)C)s1
Cc1ccc(C[NH+](CC(=O)NCC(=O)N2CCCC2)C(C)C)s1 Cc1ccc(s1)[*:1] CC(C)[NH+](CC(=O)NCC(=O)N1CCCC1)C[*:1]
Cc1ccc(C[NH+](CC(=O)NCC(=O)N2CCCC2)C(C)C)s1 Cc1ccc(C[*:1])s1 CC(C)[NH+](CC(=O)NCC(=O)N1CCCC1)[*:1]
O=C(Cc1n[nH]c2cc(Cl)ccc12)NCC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cc1n[nH]c2cc(Cl)ccc12)NCC(=O)N[*:1]
CC(C)(C)C(=O)NNC(=O)NCC12CC3CC(CC(C3)C1)C2 CC(C)(C)[*:1] O=C(NCC12CC3CC(CC(C3)C1)C2)NNC(=O)[*:1]
Cc1ccc2c(c1)OCCN2Cc1nnc(-c2ccc(C#N)cc2)o1 N#Cc1ccc(cc1)[*:1] Cc1ccc2c(c1)OCCN2Cc1nnc(o1)[*:1]
CC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(C(F)(F)F)c3)c2=O)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Cn1cnc2c(nnn2Cc2cccc(c2)C(F)(F)F)c1=O)N[*:1]
CC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(C(F)(F)F)c3)c2=O)cc1 CC(=O)[*:1] O=C(Cn1cnc2c(nnn2Cc2cccc(c2)C(F)(F)F)c1=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(C(F)(F)F)c3)c2=O)cc1 FC(F)(F)[*:1] CC(=O)c1ccc(cc1)NC(=O)Cn1cnc2c(nnn2Cc2cccc(c2)[*:1])c1=O
CC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(C(F)(F)F)c3)c2=O)cc1 FC(F)(F)c1cccc(c1)C[*:1] CC(=O)c1ccc(cc1)NC(=O)Cn1cnc2c(nnn2[*:1])c1=O
CC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(C(F)(F)F)c3)c2=O)cc1 FC(F)(F)c1cccc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)Cn1cnc2c(nnn2C[*:1])c1=O
O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] O=C(N/N=C/c1cccc2ccccc12)c1cc(n[nH]1)[*:1]
C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C1=O)c1cccc2ccccc12)[*:1]
C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O)c1ccc(Br)cc1 C[C@@H](c1ccc(Br)cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1cccc2ccccc12
C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O)c1ccc(Br)cc1 c1ccc2c(cccc2c1)[*:1] C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1])c1ccc(Br)cc1
CNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 CNC(=O)[*:1] Cc1cccc(c1)NS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 CNC(=O)c1ccc(cc1)[*:1] Cc1cccc(c1)NS(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 Cc1cccc(c1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
Cc1nc(CN2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)cs1 Cc1nc(cs1)[*:1] O=C(NCCC[NH+]1CCCCC1)N1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)cs1 Cc1nc(cs1)C[*:1] O=C(NCCC[NH+]1CCCCC1)N1CCN(CC1)[*:1]
O=C([O-])c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 O=C([O-])[*:1] O=c1[nH]c(=O)n([nH]1)-c1ccc(cc1)[*:1]
COc1cccc(-c2nc(CN3CC[NH+](Cc4cc(C)no4)CC3)cs2)c1 COc1cccc(c1)[*:1] Cc1cc(C[NH+]2CCN(CC2)Cc2csc(n2)[*:1])on1
COc1cccc(-c2nc(CN3CC[NH+](Cc4cc(C)no4)CC3)cs2)c1 Cc1cc(on1)[*:1] COc1cccc(c1)-c1nc(cs1)CN1CC[NH+](CC1)C[*:1]
Cc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2nc(C)c(C)s2)cc1F Cc1nc(sc1C)[*:1] Cc1ccc(cc1F)NC(=O)[C@H](C)[S@](=O)C[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 CC(C)[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1ccc(cc1)NC(=O)C[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 CC(C)C[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 CC(C)CC(=O)N[*:1] O=C(Cc1c[nH]c2ccccc12)Nc1ccc(cc1)[*:1]
Cc1nn(C[C@@H](O)COCc2ccccc2)c(C)c1Br c1ccc(cc1)[*:1] Cc1nn(C[C@@H](O)COC[*:1])c(C)c1Br
C/C=C(/C)C(=O)NCc1cccc(NC(=O)C[NH+](C)C)c1 C/C=C(/C)C(=O)N[*:1] C[NH+](C)CC(=O)Nc1cccc(c1)C[*:1]
C/C=C(/C)C(=O)NCc1cccc(NC(=O)C[NH+](C)C)c1 C[NH+](C)CC(=O)N[*:1] C/C=C(/C)C(=O)NCc1cccc(c1)[*:1]
C/C=C(/C)C(=O)NCc1cccc(NC(=O)C[NH+](C)C)c1 CC=C(C)[*:1] C[NH+](C)CC(=O)Nc1cccc(c1)CNC(=O)[*:1]
CCOc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 Fc1ccc(c(Cl)c1)[*:1] CCOc1cccc(c1)[C@H](C)N[C@H](C)C(=O)N[*:1]
CCOc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 CCO[*:1] C[C@H](N[C@H](C)C(=O)Nc1ccc(F)cc1Cl)c1cccc(c1)[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1c[nH]nc1-c1ccc(C)o1 COC(=O)[*:1] Cc1ccc(o1)-c1n[nH]cc1CN1C[C@H](O)C[C@H]1[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1c[nH]nc1-c1ccc(C)o1 Cc1ccc(o1)[*:1] COC(=O)[C@@H]1C[C@@H](O)CN1Cc1c[nH]nc1[*:1]
CCO[C@@H]1C[C@H](N(C)C(=O)c2cnoc2-c2ccco2)C12CCC2 c1coc(c1)[*:1] CCO[C@@H]1C[C@H](N(C)C(=O)c2cnoc2[*:1])C12CCC2
CCO[C@@H]1C[C@H](N(C)C(=O)c2cnoc2-c2ccco2)C12CCC2 CCO[*:1] CN(C(=O)c1cnoc1-c1ccco1)[C@H]1C[C@H](C12CCC2)[*:1]
Cc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)s1 Cc1ccc(s1)[*:1] C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)s1 Clc1cccc(c1Cl)[*:1] Cc1ccc(s1)C(=O)NNC(=O)[C@@H](C)NC(=O)[*:1]
COc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)ccc1O COc1cc(ccc1O)[*:1] N#CC1=C(NC(=O)C[C@@H]1[*:1])SCC(=O)Nc1ccc(F)cc1
COc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)ccc1O O=C(Nc1ccc(F)cc1)[*:1] COc1cc(ccc1O)[C@H]1CC(=O)NC(SC[*:1])=C1C#N
COc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)ccc1O Fc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@H]1CC(=O)NC(SCC(=O)N[*:1])=C1C#N
COc1cc(NC(=O)c2ccco2)c(C(=O)NC2CCCCC2)cc1OC c1coc(c1)[*:1] COc1cc(NC(=O)[*:1])c(cc1OC)C(=O)NC1CCCCC1
COc1cc(NC(=O)c2ccco2)c(C(=O)NC2CCCCC2)cc1OC C1CCC(CC1)[*:1] COc1cc(NC(=O)c2ccco2)c(cc1OC)C(=O)N[*:1]
COc1cc(NC(=O)c2ccco2)c(C(=O)NC2CCCCC2)cc1OC O=C(N[*:1])c1ccco1 COc1cc(C(=O)NC2CCCCC2)c(cc1OC)[*:1]
COc1cc(NC(=O)c2ccco2)c(C(=O)NC2CCCCC2)cc1OC O=C(NC1CCCCC1)[*:1] COc1cc(NC(=O)c2ccco2)c(cc1OC)[*:1]
C[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)[C@@H]1CO c1nc(c[nH]1)[*:1] C[C@H]1CCCN([C@@H]1CO)S(=O)(=O)[*:1]
COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\C2CCCCC2)N(C)C1=O COc1ccc(Cl)cc1[*:1] CN1C(=O)[C@@H](CC(=O)N[*:1])S/C1=N\C1CCCCC1
COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\C2CCCCC2)N(C)C1=O C1CCC(CC1)[*:1] COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=N[*:1])N(C)C1=O
C=CC[NH2+]Cc1cc2c(C)nn(-c3ccccc3)c2[nH]c1=O c1ccc(cc1)[*:1] C=CC[NH2+]Cc1cc2c(C)nn(c2[nH]c1=O)[*:1]
CCn1c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nc2sc(C)c(C)c2c1=O C1CO[C@H](C1)[*:1] CCn1c(nc2sc(C)c(C)c2c1=O)S[C@H](C)C(=O)NC[*:1]
CCn1c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nc2sc(C)c(C)c2c1=O C1CO[C@H](C1)C[*:1] CCn1c(nc2sc(C)c(C)c2c1=O)S[C@H](C)C(=O)N[*:1]
COc1ccccc1C(=O)NC(=S)N(C)C1CCCCC1 C1CCC(CC1)[*:1] COc1ccccc1C(=O)NC(=S)N(C)[*:1]
COc1ccc(C(F)(F)F)cc1-c1cccnc1C(=O)[O-] O=C([O-])[*:1] COc1ccc(cc1-c1cccnc1[*:1])C(F)(F)F
COc1ccc(C(F)(F)F)cc1-c1cccnc1C(=O)[O-] FC(F)(F)[*:1] COc1ccc(cc1-c1cccnc1C(=O)[O-])[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H]1[C@H](C)CCCN1C(=O)CNC(=O)[*:1]
CCC[C@H]1[C@H](C)CCCN1C(=O)CNC(=O)c1ccccc1 CCC[*:1] C[C@@H]1CCCN(C(=O)CNC(=O)c2ccccc2)[C@H]1[*:1]
C[C@H](NC(=O)CN1CC[S@@](=O)C(C)(C)C1)c1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)CN1CC[S@@](=O)C(C)(C)C1)[*:1]
COc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 Clc1ccc(c(Cl)c1)[*:1] COc1cccc(c1)C(=O)NC(=S)Nc1cccc(c1)NC(=O)[*:1]
COc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 COc1cccc(c1)[*:1] O=C(Nc1cccc(c1)NC(=S)NC(=O)[*:1])c1ccc(Cl)cc1Cl
Cc1cc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)ccc1OC(C)C c1cncc(c1)[*:1] Cc1cc(ccc1OC(C)C)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(Cl)cc1
Cc1cc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1
Cc1cc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)ccc1OC(C)C Clc1ccc(cc1)[*:1] Cc1cc(ccc1OC(C)C)C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1[*:1]
Cc1cc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)ccc1OC(C)C Cc1cc(ccc1OC(C)C)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(Cl)cc2)N1Cc1cccnc1
Cc1cc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)ccc1OC(C)C c1cncc(c1)C[*:1] Cc1cc(ccc1OC(C)C)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(Cl)cc1)[*:1]
Cc1cc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1
C=CCc1cccc2c1OC(=O)[C@H](C(=O)Nc1nc(-c3ccccc3)c(C)s1)C2 c1ccc(cc1)[*:1] C=CCc1cccc2C[C@@H](C(=O)Nc3nc(c(C)s3)[*:1])C(=O)Oc12
C=CCc1cccc2c1OC(=O)[C@H](C(=O)Nc1nc(-c3ccccc3)c(C)s1)C2 C=CC[*:1] Cc1sc(nc1-c1ccccc1)NC(=O)[C@@H]1Cc2cccc(c2OC1=O)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)C[C@@H](O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CCC(CC)C(=O)N1CCC(CC1)NC(=O)C[C@@H](O)[*:1]
CCC(CC)C(=O)N1CCC(NC(=O)C[C@@H](O)c2cccc(F)c2)CC1 CCC(CC)[*:1] O=C(C[C@@H](O)c1cccc(F)c1)NC1CCN(CC1)C(=O)[*:1]
CC[C@@H](CS)COc1ccc(OC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H](CS)COc1ccc(cc1[*:1])OC
Cc1cc(Cl)ncc1NC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1cc(Cl)ncc1NC(=O)NC1CCC(CC1)C(=O)O[*:1]
Cc1cc(Cl)ncc1NC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 Cc1cc(Cl)ncc1[*:1] CC(C)(C)OC(=O)C1CCC(CC1)NC(=O)N[*:1]
Cc1cc(Cl)ncc1NC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)[*:1] Cc1cc(Cl)ncc1NC(=O)NC1CCC(CC1)[*:1]
Cc1ccc(CN2CCN(C[C@H](C)C(=O)NCc3cccc(F)c3)C(=O)C2=O)cc1 Fc1cccc(c1)C[*:1] Cc1ccc(cc1)CN1CCN(C[C@H](C)C(=O)N[*:1])C(=O)C1=O
Cc1ccc(CN2CCN(C[C@H](C)C(=O)NCc3cccc(F)c3)C(=O)C2=O)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)CN1CCN(C[C@H](C)C(=O)NC[*:1])C(=O)C1=O
Cc1ccc(CN2CCN(C[C@H](C)C(=O)NCc3cccc(F)c3)C(=O)C2=O)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](CN1CCN(C(=O)C1=O)[*:1])C(=O)NCc1cccc(F)c1
Cc1ccc(CN2CCN(C[C@H](C)C(=O)NCc3cccc(F)c3)C(=O)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CN1CCN(C[*:1])C(=O)C1=O)C(=O)NCc1cccc(F)c1
COc1ccc(C(=O)NCc2ccccc2OCC(C)C)nn1 CC(C)C[*:1] COc1ccc(nn1)C(=O)NCc1ccccc1O[*:1]
COc1ccc(C(=O)NCc2ccccc2OCC(C)C)nn1 CC(C)CO[*:1] COc1ccc(nn1)C(=O)NCc1ccccc1[*:1]
COc1ccc(C(=O)NCc2ccccc2OCC(C)C)nn1 CC(C)[*:1] COc1ccc(nn1)C(=O)NCc1ccccc1OC[*:1]
Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C C1CC1c1noc(n1)[*:1] Cc1nn(c(C)c1CC(=O)N[C@H](C(C)C)[*:1])C(F)F
Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C CC(C)[*:1] Cc1nn(c(C)c1CC(=O)N[C@H](c1nc(no1)C1CC1)[*:1])C(F)F
Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C FC(F)[*:1] Cc1nn(c(C)c1CC(=O)N[C@H](c1nc(no1)C1CC1)C(C)C)[*:1]
Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](c1nc(C2CC2)no1)C(C)C C1CC1[*:1] Cc1nn(c(C)c1CC(=O)N[C@H](c1nc(no1)[*:1])C(C)C)C(F)F
CC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2C[C@H]3CCCc4cccc2c43)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32)[*:1]
Cc1cc([C@@H](C)[NH2+]CC(C)(C)N2CCS(=O)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)[*:1]
Cc1cc([C@@H](C)[NH2+]CC(C)(C)N2CCS(=O)CC2)c(C)s1 O=S1CCN(CC1)[*:1] Cc1cc(c(C)s1)[C@@H](C)[NH2+]CC(C)(C)[*:1]
COC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 COC(=O)[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[*:1]
CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1 C1CO[C@@H](C1)[*:1] CCC[C@@H](c1nnnn1C[*:1])[NH+]1CCN(CC1)c1cccc(C)c1C
CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1 CCC[*:1] Cc1cccc(c1C)N1CC[NH+](CC1)[C@H](c1nnnn1C[C@@H]1CCCO1)[*:1]
CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1 C1CO[C@@H](C1)C[*:1] CCC[C@@H](c1nnnn1[*:1])[NH+]1CCN(CC1)c1cccc(C)c1C
CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1 Cc1cccc(c1C)[*:1] CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(CC1)[*:1]
Cc1ncccc1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C Cc1ncccc1[*:1] C[NH+](C)[C@H](CNC(=O)N[*:1])c1cccc(F)c1
Cc1ncccc1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C Fc1cccc(c1)[*:1] Cc1ncccc1NC(=O)NC[C@H]([NH+](C)C)[*:1]
CCCn1nc(C(=O)Nc2nc3c(s2)CCCC3)ccc1=O CCC[*:1] O=C(Nc1nc2CCCCc2s1)c1ccc(=O)n(n1)[*:1]
COc1ccc([C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)[*:1]
O=C(Nc1ccccc1I)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1I)c1ccc(cc1)[*:1]
CC(=O)NCCC[NH+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C CC(=O)NC[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+](C)CC[*:1]
CC(=O)NCCC[NH+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C CC(=O)NCC[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+](C)C[*:1]
CC(=O)NCCC[NH+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] CC(=O)NCCC[NH+](C)Cc1c(C)nn(c1C)[*:1]
CC(=O)NCCC[NH+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C CC(=O)NCCC[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+](C)[*:1]
CC(=O)NCCC[NH+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C CC(=O)N[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+](C)CCC[*:1]
Cc1ccc(NC(=O)CN2CCN(C(=O)CCS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 Cc1ccc(cc1)NC(=O)[*:1] O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
Cc1ccc(NC(=O)CN2CCN(C(=O)CCS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)N[*:1]
Cc1ccc(NC(=O)CN2CCN(C(=O)CCS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 O=S(=O)(c1ccc(Cl)cc1)[*:1] Cc1ccc(cc1)NC(=O)CN1CCN(CC1)C(=O)CC[*:1]
Cc1ccc(NC(=O)CN2CCN(C(=O)CCS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CN1CCN(CC1)C(=O)CCS(=O)(=O)[*:1]
CCCNC(=O)CNC(=O)NCC(C)(C)c1ccc(Cl)cc1 CCC[*:1] CC(C)(CNC(=O)NCC(=O)N[*:1])c1ccc(Cl)cc1
CCCNC(=O)CNC(=O)NCC(C)(C)c1ccc(Cl)cc1 CCCNC(=O)C[*:1] CC(C)(CNC(=O)N[*:1])c1ccc(Cl)cc1
CCCNC(=O)CNC(=O)NCC(C)(C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCNC(=O)CNC(=O)NCC(C)(C)[*:1]
CCCNC(=O)CNC(=O)NCC(C)(C)c1ccc(Cl)cc1 CCCNC(=O)[*:1] CC(C)(CNC(=O)NC[*:1])c1ccc(Cl)cc1
CCO[C@H]1[C@@H](OCC)N(S(C)(=O)=O)CCN1S(C)(=O)=O CCO[*:1] CCO[C@@H]1[C@@H](N(CCN1S(C)(=O)=O)S(C)(=O)=O)[*:1]
CC(C)(C)c1ccc(CSC(N)=[NH2+])cc1 CC(C)(C)[*:1] NC(=[NH2+])SCc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(CSC(N)=[NH2+])cc1 NC(=[NH2+])SC[*:1] CC(C)(C)c1ccc(cc1)[*:1]
C#CCCNC(=O)c1n[nH]c(C(C)C)n1 C#CC[*:1] CC(C)c1nc(n[nH]1)C(=O)NC[*:1]
C#CCCNC(=O)c1n[nH]c(C(C)C)n1 CC(C)[*:1] C#CCCNC(=O)c1n[nH]c(n1)[*:1]
C#CCCNC(=O)c1n[nH]c(C(C)C)n1 C#CCC[*:1] CC(C)c1nc(n[nH]1)C(=O)N[*:1]
CC[NH+](CC)CCN(C(=O)c1ccn(C)n1)c1nc2c(C)cccc2s1 Cn1ccc(n1)[*:1] CC[NH+](CC)CCN(C(=O)[*:1])c1nc2c(C)cccc2s1
O=[N+]([O-])c1ccc([C@@H](O)c2ccc(Br)c3ccccc23)o1 O=[N+]([O-])[*:1] O[C@H](c1ccc(o1)[*:1])c1ccc(Br)c2ccccc12
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1C[C@H](C)OCC1(C)C COC(=O)[*:1] C[C@H]1CN(CC(=O)N2Cc3ccccc3C[C@@H]2[*:1])C(C)(C)CO1
CC[C@@H](C)OC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 CC[C@@H](C)[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)O[*:1]
CNS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccc(C)n2)c(F)c1 CNS(=O)(=O)[*:1] Cc1cccc(n1)[C@@H]1CCCN1c1ccc(cc1F)[*:1]
CNS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccc(C)n2)c(F)c1 Cc1cccc(n1)[*:1] CNS(=O)(=O)c1ccc(c(F)c1)N1CCC[C@@H]1[*:1]
C=CCSc1nnc([C@@H]2CCCN(Cc3ccc(-c4ccccc4Cl)o3)C2)n1C C=CCS[*:1] Cn1c(nnc1[*:1])[C@@H]1CCCN(Cc2ccc(o2)-c2ccccc2Cl)C1
C=CCSc1nnc([C@@H]2CCCN(Cc3ccc(-c4ccccc4Cl)o3)C2)n1C C=CC[*:1] Cn1c(nnc1[C@@H]1CCCN(Cc2ccc(o2)-c2ccccc2Cl)C1)S[*:1]
C=CCSc1nnc([C@@H]2CCCN(Cc3ccc(-c4ccccc4Cl)o3)C2)n1C Clc1ccccc1[*:1] C=CCSc1nnc([C@@H]2CCCN(Cc3ccc(o3)[*:1])C2)n1C
C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)NC2CCCCC2)C1 Fc1ccc(cc1)[*:1] C[C@]1(CCCN(C1)C(=O)NC1CCCCC1)C(=O)NC[*:1]
C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)NC2CCCCC2)C1 Fc1ccc(cc1)C[*:1] C[C@]1(CCCN(C1)C(=O)NC1CCCCC1)C(=O)N[*:1]
C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)NC2CCCCC2)C1 C1CCC(CC1)[*:1] C[C@]1(CCCN(C1)C(=O)N[*:1])C(=O)NCc1ccc(F)cc1
Cc1[nH+]c(S[C@H](C)c2nc(C3CC3)no2)n(C2CCCCC2)c1C C1CC1[*:1] Cc1[nH+]c(S[C@H](C)c2nc(no2)[*:1])n(c1C)C1CCCCC1
Cc1[nH+]c(S[C@H](C)c2nc(C3CC3)no2)n(C2CCCCC2)c1C C1CC1c1noc(n1)[*:1] Cc1[nH+]c(S[C@H](C)[*:1])n(c1C)C1CCCCC1
Cc1[nH+]c(S[C@H](C)c2nc(C3CC3)no2)n(C2CCCCC2)c1C C1CCC(CC1)[*:1] Cc1[nH+]c(S[C@H](C)c2nc(no2)C2CC2)n(c1C)[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F FC(F)(F)C[*:1] CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(F)ccc1O[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F CC(C)[*:1] C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F)[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F FC(F)(F)[*:1] CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(F)ccc1OC[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(F)ccc1[*:1]
CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F CC(C)[C@H](C)[*:1] O=C(Nc1cc(F)ccc1OCC(F)(F)F)C(=O)N[*:1]
Cc1ccc(CNC(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)C(=O)N[*:1]
Cc1ccc(CNC(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1 c1nnnn1[*:1] Cc1ccc(cc1)CNC(=O)C(=O)Nc1ccc(c(C)c1)[*:1]
Cc1ccc(CNC(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)C(=O)NC[*:1]
CC1(C)CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[S@@]1=O O=[N+]([O-])[*:1] CC1(C)CN(CC[S@@]1=O)Cc1csc(n1)-c1cccc(c1)[*:1]
COc1ccc(CNC(=O)CNc2ccc(C(F)(F)F)cc2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CNC(=O)CNc1ccc(cc1)[*:1]
COc1ccc(CNC(=O)CNc2ccc(C(F)(F)F)cc2)cc1 COc1ccc(cc1)[*:1] O=C(CNc1ccc(cc1)C(F)(F)F)NC[*:1]
COC1=CC2=CC[C@H]3[C@@H](CC[C@]4(C)[C@@H]3C[C@@]3(C)O[C@]34C(C)=O)[C@@]2(C)CC1 CC(=O)[*:1] COC1=CC2=CC[C@H]3[C@@H](CC[C@]4(C)[C@@H]3C[C@@]3(C)O[C@]34[*:1])[C@@]2(C)CC1
Cn1nc(C2CC2)cc1CSCCC(=O)[O-] O=C([O-])[*:1] Cn1nc(cc1CSCC[*:1])C1CC1
Cn1nc(C2CC2)cc1CSCCC(=O)[O-] C1CC1[*:1] Cn1nc(cc1CSCCC(=O)[O-])[*:1]
Cn1nc(C2CC2)cc1CSCCC(=O)[O-] O=C([O-])C[*:1] Cn1nc(cc1CSC[*:1])C1CC1
Cn1nc(C2CC2)cc1CSCCC(=O)[O-] O=C([O-])CC[*:1] Cn1nc(cc1CS[*:1])C1CC1
CCSc1ccccc1C(=O)NCCn1nc(-c2ccccc2)ccc1=O c1ccc(cc1)[*:1] CCSc1ccccc1C(=O)NCCn1nc(ccc1=O)[*:1]
CCSc1ccccc1C(=O)NCCn1nc(-c2ccccc2)ccc1=O CCSc1ccccc1[*:1] O=C(NCCn1nc(ccc1=O)-c1ccccc1)[*:1]
CCSc1ccccc1C(=O)NCCn1nc(-c2ccccc2)ccc1=O CCS[*:1] O=C(NCCn1nc(ccc1=O)-c1ccccc1)c1ccccc1[*:1]
Cc1c(SC(F)F)sc2ccccc12 FC(F)S[*:1] Cc1c(sc2ccccc12)[*:1]
Cc1c(SC(F)F)sc2ccccc12 FC(F)[*:1] Cc1c(S[*:1])sc2ccccc12
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1C Cc1ccccc1[*:1] C=CCN(Cc1cccc(c1)[N+](=O)[O-])C(=O)NC[*:1]
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1C Cc1ccccc1C[*:1] C=CCN(Cc1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1C O=[N+]([O-])[*:1] C=CCN(Cc1cccc(c1)[*:1])C(=O)NCc1ccccc1C
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1C C=CC[*:1] Cc1ccccc1CNC(=O)N(Cc1cccc(c1)[N+](=O)[O-])[*:1]
COc1cc(OC)cc(C(=O)Nn2cc(C(=O)NCc3ccccn3)c3ccccc3c2=O)c1 c1ccc(nc1)[*:1] COc1cc(cc(c1)C(=O)Nn1cc(C(=O)NC[*:1])c2ccccc2c1=O)OC
COc1cc(OC)cc(C(=O)Nn2cc(C(=O)NCc3ccccn3)c3ccccc3c2=O)c1 c1ccc(C[*:1])nc1 COc1cc(cc(c1)C(=O)Nn1cc(C(=O)N[*:1])c2ccccc2c1=O)OC
COc1cc(OC)cc(C(=O)Nn2cc(C(=O)NCc3ccccn3)c3ccccc3c2=O)c1 COc1cc(cc(c1)[*:1])OC O=C(NCc1ccccn1)c1cn(NC(=O)[*:1])c(=O)c2ccccc12
COc1cc(OC)cc(C(=O)Nn2cc(C(=O)NCc3ccccn3)c3ccccc3c2=O)c1 O=C(NCc1ccccn1)[*:1] COc1cc(cc(c1)C(=O)Nn1cc(c2ccccc2c1=O)[*:1])OC
O=C(CCCCc1ccccc1)N1CCCC[C@H]1CN1CCOCC1 c1ccc(cc1)C[*:1] O=C(CCC[*:1])N1CCCC[C@H]1CN1CCOCC1
O=C(CCCCc1ccccc1)N1CCCC[C@H]1CN1CCOCC1 c1ccc(cc1)CC[*:1] O=C(CC[*:1])N1CCCC[C@H]1CN1CCOCC1
O=C(CCCCc1ccccc1)N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CCCCc1ccccc1)N1CCCC[C@@H]1[*:1]
O=C(CCCCc1ccccc1)N1CCCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(CCCCc1ccccc1)N1CCCC[C@H]1C[*:1]
O=C(CCCCc1ccccc1)N1CCCC[C@H]1CN1CCOCC1 c1ccc(cc1)[*:1] O=C(CCCC[*:1])N1CCCC[C@H]1CN1CCOCC1
C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(O)cc1 Oc1ccc(cc1)[*:1] C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[*:1]
C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(O)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)O[*:1])C(=O)N(C)Cc1ccc(O)cc1
O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c2c1CN(Cc1cccnc1)CN2 Clc1cccc(c1)[*:1] O=c1[nH]c(=O)n(c2NCN(Cc3cccnc3)Cc21)[*:1]
O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c2c1CN(Cc1cccnc1)CN2 c1cncc(c1)C[*:1] O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c2NCN(Cc21)[*:1]
O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c2c1CN(Cc1cccnc1)CN2 c1cncc(c1)[*:1] O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c2NCN(Cc21)C[*:1]
CC(C)NC(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)NCc3ccc(F)cc3)CC1)n2C Fc1ccc(cc1)[*:1] CC(C)NC(=O)c1ccc2c(c1)nc(CN1CCN(CC1)C(=O)NC[*:1])n2C
CC(C)NC(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)NCc3ccc(F)cc3)CC1)n2C CC(C)NC(=O)[*:1] Cn1c(CN2CCN(CC2)C(=O)NCc2ccc(F)cc2)nc2cc(ccc21)[*:1]
CC(C)NC(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)NCc3ccc(F)cc3)CC1)n2C Fc1ccc(cc1)C[*:1] CC(C)NC(=O)c1ccc2c(c1)nc(CN1CCN(CC1)C(=O)N[*:1])n2C
CC(C)NC(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)NCc3ccc(F)cc3)CC1)n2C CC(C)[*:1] Cn1c(CN2CCN(CC2)C(=O)NCc2ccc(F)cc2)nc2cc(ccc21)C(=O)N[*:1]
COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)o1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc(CN(C)S(=O)(=O)[*:1])o1
COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)o1 COC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)Cc1ccc(o1)[*:1]
CC1CCC(NC(=O)C(F)(F)F)(C(=O)[O-])CC1 FC(F)(F)[*:1] CC1CCC(CC1)(NC(=O)[*:1])C(=O)[O-]
CC1CCC(NC(=O)C(F)(F)F)(C(=O)[O-])CC1 O=C([O-])[*:1] CC1CCC(CC1)(NC(=O)C(F)(F)F)[*:1]
CCC[C@H](C)N(C)C(=O)N[C@H](C)c1nncn1C CCC[C@H](C)[*:1] C[C@@H](NC(=O)N(C)[*:1])c1nncn1C
CCC[C@H](C)N(C)C(=O)N[C@H](C)c1nncn1C Cn1cnnc1[*:1] CCC[C@H](C)N(C)C(=O)N[C@H](C)[*:1]
CCC[C@H](C)N(C)C(=O)N[C@H](C)c1nncn1C CCC[*:1] C[C@H](N(C)C(=O)N[C@H](C)c1nncn1C)[*:1]
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@@H]1C=C[C@H](CO)C1 O=C(N[*:1])c1ccccc1 Cc1ccc(cc1NC(=O)N[C@@H]1C=C[C@H](CO)C1)[*:1]
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@@H]1C=C[C@H](CO)C1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H]1C=C[C@H](CO)C1)NC(=O)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H]1CCC[C@@]1(C)CO Cc1noc(C)c1[*:1] C[C@@H](NC(=O)N[C@@H]1CCC[C@@]1(C)CO)[*:1]
O=C(CSc1nnc(N2CCCC2)s1)Nc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CSc1nnc(s1)N1CCCC1)Nc1cc(Cl)ccc1[*:1]
O=C(CSc1nnc(N2CCCC2)s1)Nc1cc(Cl)ccc1[N+](=O)[O-] C1CCN(C1)[*:1] O=C(CSc1nnc(s1)[*:1])Nc1cc(Cl)ccc1[N+](=O)[O-]
O=C(Nc1cc(-n2nnnc2C2CC2)ccc1F)C1CC1 O=C(N[*:1])C1CC1 Fc1ccc(cc1[*:1])-n1nnnc1C1CC1
O=C(Nc1cc(-n2nnnc2C2CC2)ccc1F)C1CC1 C1CC1[*:1] O=C(Nc1cc(ccc1F)-n1nnnc1C1CC1)[*:1]
O=C(Nc1cc(-n2nnnc2C2CC2)ccc1F)C1CC1 C1CC1[*:1] O=C(Nc1cc(ccc1F)-n1nnnc1[*:1])C1CC1
N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@H]1c1ccccn1 c1ccc(nc1)[*:1] N#C[C@H]1C(=O)Nc2nc(NCc3ccc4OCCCOc4c3)[nH]c(=O)c2[C@@H]1[*:1]
N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@H]1c1ccccn1 c1cc2OCCCOc2cc1[*:1] N#C[C@H]1C(=O)Nc2nc(NC[*:1])[nH]c(=O)c2[C@H]1c1ccccn1
Cc1ccc(-c2nnc([S@](=O)[C@H](C)C(=O)NCC(C)C)n2C)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1nnc(n1C)[S@](=O)[C@H](C)C(=O)NC[*:1]
Cc1ccc(-c2nnc([S@](=O)[C@H](C)C(=O)NCC(C)C)n2C)cc1 CC(C)CNC(=O)[*:1] Cc1ccc(cc1)-c1nnc(n1C)[S@](=O)[C@H](C)[*:1]
Cc1ccc(-c2nnc([S@](=O)[C@H](C)C(=O)NCC(C)C)n2C)cc1 Cc1ccc(cc1)[*:1] CC(C)CNC(=O)[C@@H](C)[S@@](=O)c1nnc(n1C)[*:1]
Cc1ccc(-c2nnc([S@](=O)[C@H](C)C(=O)NCC(C)C)n2C)cc1 CC(C)C[*:1] Cc1ccc(cc1)-c1nnc(n1C)[S@](=O)[C@H](C)C(=O)N[*:1]
COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2[*:1]
O=C(NC[C@@H]1CCC[C@H]1O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 O=C1CCCN1[*:1] O=C(NC[C@@H]1CCC[C@H]1O)c1cc(cc(c1)[*:1])C(F)(F)F
O=C(NC[C@@H]1CCC[C@H]1O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NC[C@@H]1CCC[C@H]1O)c1cc(cc(c1)[*:1])N1CCCC1=O
N#Cc1cccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)c1 Clc1ccccc1[*:1] N#Cc1cccc(c1)C(=O)N1CCC[C@@H]1[*:1]
O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1C[C@H]1CCCO1 c1ccc(cc1)O[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(c2)[*:1])N1C[C@H]1CCCO1
O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1C[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(c2)O[*:1])N1C[C@H]1CCCO1
O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1C[C@H]1CCCO1 Oc1ccccc1[*:1] O=C1c2[nH]nc(c2[C@@H](c2cccc(c2)Oc2ccccc2)N1C[C@H]1CCCO1)[*:1]
CC(C)c1noc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)n1 CC(C)[*:1] C[C@H]([NH2+][C@H](C)c1ccc2OCOc2c1)c1nc(no1)[*:1]
CC(C)c1ccccc1OCCC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 CC(C)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)CCOc1ccccc1[*:1]
Cc1noc2nc(C3CC3)cc(C(=O)OCc3nc(-c4cccs4)no3)c12 c1csc(c1)[*:1] Cc1noc2nc(cc(C(=O)OCc3nc(no3)[*:1])c12)C1CC1
Cc1noc2nc(C3CC3)cc(C(=O)OCc3nc(-c4cccs4)no3)c12 C1CC1[*:1] Cc1noc2nc(cc(C(=O)OCc3nc(no3)-c3cccs3)c12)[*:1]
Cc1cccc(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 Cc1cccc(c1)[*:1] C[C@@H](S[*:1])C(=O)c1ccc(cc1)[N-]S(C)(=O)=O
COc1ccc(CN2C[C@@H](C(=O)NCc3csc(C4CC4)n3)CC2=O)cc1 c1sc(nc1[*:1])C1CC1 COc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)NC[*:1]
COc1ccc(CN2C[C@@H](C(=O)NCc3csc(C4CC4)n3)CC2=O)cc1 COc1ccc(cc1)C[*:1] O=C(NCc1csc(n1)C1CC1)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(CN2C[C@@H](C(=O)NCc3csc(C4CC4)n3)CC2=O)cc1 c1sc(nc1C[*:1])C1CC1 COc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)N[*:1]
COc1ccc(CN2C[C@@H](C(=O)NCc3csc(C4CC4)n3)CC2=O)cc1 C1CC1[*:1] COc1ccc(cc1)CN1C[C@H](CC1=O)C(=O)NCc1csc(n1)[*:1]
COc1ccc(CN2C[C@@H](C(=O)NCc3csc(C4CC4)n3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(NCc1csc(n1)C1CC1)[C@H]1CC(=O)N(C1)C[*:1]
C[C@H]1CCCN(c2ncnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2N)C1 C[C@H]1CCCN(C1)[*:1] Nc1c(ncnc1[*:1])N1CC[NH+](CC1)Cc1ccc2OCOc2c1
C[C@H]1CCCN(c2ncnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2N)C1 c1cc2OCOc2cc1C[*:1] C[C@H]1CCCN(C1)c1ncnc(c1N)N1CC[NH+](CC1)[*:1]
C[C@H]1CCCN(c2ncnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2N)C1 c1cc2OCOc2cc1[*:1] C[C@H]1CCCN(C1)c1ncnc(c1N)N1CC[NH+](CC1)C[*:1]
CN(Cc1nc2ccccc2n1C)c1ncccn1 c1cnc(nc1)[*:1] CN(Cc1nc2ccccc2n1C)[*:1]
CC(=O)c1ccc(NC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1Cc2ccccc2N(C)C[C@@H]1C
COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](CNC(=O)c2cc(C)on2)C3)cc1 COC(=O)[*:1] Cc1cc(no1)C(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccc(cc3)[*:1])c2O1
COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](CNC(=O)c2cc(C)on2)C3)cc1 COC(=O)c1ccc(cc1)[*:1] Cc1cc(no1)C(=O)NC[C@@H]1Cc2cc(Cl)cc(c2O1)[*:1]
COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](CNC(=O)c2cc(C)on2)C3)cc1 Cc1cc(no1)C(=O)N[*:1] COC(=O)c1ccc(cc1)-c1cc(Cl)cc2C[C@@H](C[*:1])Oc21
COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](CNC(=O)c2cc(C)on2)C3)cc1 Cc1cc(no1)[*:1] COC(=O)c1ccc(cc1)-c1cc(Cl)cc2C[C@@H](CNC(=O)[*:1])Oc21
COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](CNC(=O)c2cc(C)on2)C3)cc1 Cc1cc(no1)C(=O)NC[*:1] COC(=O)c1ccc(cc1)-c1cc(Cl)cc2C[C@@H](Oc21)[*:1]
CC1CCN(C(=O)[C@H](C)OC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1 CC1CCN(CC1)C(=O)[*:1] C[C@H](OC(=O)c1cccc(c1)CN1C(=O)c2ccccc2C1=O)[*:1]
CCC[C@H](C)C(=O)Nc1cc(C(=O)Nc2cccs2)ccc1C CCC[C@H](C)[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)Nc1cccs1
CCC[C@H](C)C(=O)Nc1cc(C(=O)Nc2cccs2)ccc1C c1csc(c1)[*:1] CCC[C@H](C)C(=O)Nc1cc(ccc1C)C(=O)N[*:1]
CCC[C@H](C)C(=O)Nc1cc(C(=O)Nc2cccs2)ccc1C CCC[*:1] Cc1ccc(cc1NC(=O)[C@@H](C)[*:1])C(=O)Nc1cccs1
CC(C)c1noc(CCCC(=O)N[C@H](C)[C@@H]2CCCO2)n1 CC(C)[*:1] C[C@@H](NC(=O)CCCc1nc(no1)[*:1])[C@@H]1CCCO1
CC(C)c1noc(CCCC(=O)N[C@H](C)[C@@H]2CCCO2)n1 C1CO[C@@H](C1)[*:1] CC(C)c1noc(CCCC(=O)N[C@H](C)[*:1])n1
CC(=O)NCCNC(=O)CSc1nc(-c2ccco2)nc2ccccc12 CC(=O)NCC[*:1] O=C(CSc1nc(nc2ccccc12)-c1ccco1)N[*:1]
CC(=O)NCCNC(=O)CSc1nc(-c2ccco2)nc2ccccc12 CC(=O)NC[*:1] O=C(CSc1nc(nc2ccccc12)-c1ccco1)NC[*:1]
CC(=O)NCCNC(=O)CSc1nc(-c2ccco2)nc2ccccc12 c1coc(c1)[*:1] CC(=O)NCCNC(=O)CSc1nc(nc2ccccc12)[*:1]
CC(=O)NCCNC(=O)CSc1nc(-c2ccco2)nc2ccccc12 CC(=O)N[*:1] O=C(CSc1nc(nc2ccccc12)-c1ccco1)NCC[*:1]
O=C(CSCc1ccc(Br)cc1F)Nc1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(CSCc1ccc(Br)cc1F)Nc1cccc(c1)[*:1]
O=C(CSCc1ccc(Br)cc1F)Nc1cccc(S(=O)(=O)N2CCCC2)c1 Fc1cc(Br)ccc1C[*:1] O=C(CS[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCC1
O=C(CSCc1ccc(Br)cc1F)Nc1cccc(S(=O)(=O)N2CCCC2)c1 Fc1cc(Br)ccc1[*:1] O=C(CSC[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCC1
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccc(OCC(F)(F)F)nc1 FC(F)(F)C[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccc(nc1)O[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccc(OCC(F)(F)F)nc1 CC(C)[*:1] O=C(c1ccc(nc1)OCC(F)(F)F)N(C[C@H]1CCCCO1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccc(OCC(F)(F)F)nc1 C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)c1ccc(nc1)OCC(F)(F)F)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccc(OCC(F)(F)F)nc1 FC(F)(F)CO[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccc(nc1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccc(OCC(F)(F)F)nc1 FC(F)(F)[*:1] CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccc(nc1)OC[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)c1ccc(OCC(F)(F)F)nc1 C1CC[C@@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)c1ccc(nc1)OCC(F)(F)F
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1 COC(=O)C(C)(C)[*:1] O=C(Cc1cccc2ccccc12)N1CCC[C@@H](C1)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1 COC(=O)[*:1] CC(C)([C@H]1CCCN(C1)C(=O)Cc1cccc2ccccc12)[*:1]
Cc1nc(-c2cc(C(=O)Nc3ccnn3C3CCCCC3)n(C)c2)cs1 Cc1nc(cs1)[*:1] Cn1cc(cc1C(=O)Nc1ccnn1C1CCCCC1)[*:1]
Cc1nc(-c2cc(C(=O)Nc3ccnn3C3CCCCC3)n(C)c2)cs1 C1CCC(CC1)[*:1] Cc1nc(cs1)-c1cc(C(=O)Nc2ccnn2[*:1])n(C)c1
CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)CSCC(F)(F)F FC(F)(F)CS[*:1] CC1(C)CO[C@H](CN1C(=O)C[*:1])c1ccccc1
CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)CSCC(F)(F)F c1ccc(cc1)[*:1] CC1(C)CO[C@@H](CN1C(=O)CSCC(F)(F)F)[*:1]
CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)CSCC(F)(F)F FC(F)(F)C[*:1] CC1(C)CO[C@H](CN1C(=O)CS[*:1])c1ccccc1
CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)CSCC(F)(F)F FC(F)(F)[*:1] CC1(C)CO[C@H](CN1C(=O)CSC[*:1])c1ccccc1
CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)CSCC(F)(F)F FC(F)(F)CSC[*:1] CC1(C)CO[C@H](CN1C(=O)[*:1])c1ccccc1
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 O=C(N[*:1])[C@@H]1CCCO1 O=S(=O)(c1cc(ccc1Cl)[*:1])N1CCOCC1
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1C#N N#Cc1ccc(cc1)O[*:1] C[C@@H](Nc1ccc(cc1)[*:1])C(=O)Nc1ccccc1C#N
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1C#N N#Cc1ccc(cc1)[*:1] C[C@@H](Nc1ccc(cc1)O[*:1])C(=O)Nc1ccccc1C#N
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)Nc1ccccc1C#N N#Cc1ccccc1[*:1] C[C@@H](Nc1ccc(cc1)Oc1ccc(C#N)cc1)C(=O)N[*:1]
Cc1cc(C)cc(C[C@H](C)NC(=O)c2cn(Cc3cccnc3)nn2)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H](C[*:1])NC(=O)c1cn(Cc2cccnc2)nn1
Cc1cc(C)cc(C[C@H](C)NC(=O)c2cn(Cc3cccnc3)nn2)c1 c1cncc(c1)[*:1] Cc1cc(C)cc(c1)C[C@H](C)NC(=O)c1cn(C[*:1])nn1
Cc1cc(C)cc(C[C@H](C)NC(=O)c2cn(Cc3cccnc3)nn2)c1 c1cncc(c1)C[*:1] Cc1cc(C)cc(c1)C[C@H](C)NC(=O)c1cn(nn1)[*:1]
Cc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@@H](C)c1ccncc1
Cc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cc1C(F)(F)F c1cc(ccn1)[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)N[C@@H](C)[*:1]
O=C(Cc1cccs1)NCc1nc(-c2ccccc2)no1 c1csc(c1)C[*:1] O=C(NCc1nc(no1)-c1ccccc1)[*:1]
O=C(Cc1cccs1)NCc1nc(-c2ccccc2)no1 c1csc(c1)[*:1] O=C(C[*:1])NCc1nc(no1)-c1ccccc1
O=C(Cc1cccs1)NCc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(Cc1cccs1)NCc1nc(no1)[*:1]
C=CCO[C@H](C)C(=O)N1CC[C@@H](C)[C@H](O)C1 C=CCO[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)[C@@H](C)[*:1]
C=CCO[C@H](C)C(=O)N1CC[C@@H](C)[C@H](O)C1 C=CC[*:1] C[C@@H](O[*:1])C(=O)N1CC[C@@H](C)[C@H](O)C1
Cc1cc(NC(=O)CCl)n(-c2ccc(F)cc2)n1 O=C(CCl)N[*:1] Cc1cc(n(n1)-c1ccc(F)cc1)[*:1]
Cc1c(CN2CCC(N(C)c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(CN2CCC(CC2)N(C)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(CN2CCC(N(C)c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(CN2CCC(CC2)N(C)c2ccccc2)c(=O)n(n1C)[*:1]
Cc1c(CN2CCC(N(C)c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C CN(c1ccccc1)[*:1] Cc1c(CN2CCC(CC2)[*:1])c(=O)n(-c2ccccc2)n1C
C=CCNC(=O)c1cc(F)ccc1I C=CC[*:1] O=C(N[*:1])c1cc(F)ccc1I
COC[C@H](NC(=O)Nc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@H](NC(=O)Nc1cc(F)cc(F)c1)[*:1]
COC[C@H](NC(=O)Nc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 Fc1cc(F)cc(c1)[*:1] COC[C@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)Nc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 COC[*:1] O=C(Nc1cc(F)cc(F)c1)N[C@H](c1ccc(F)c(F)c1)[*:1]
O=C([O-])c1cncc(NC(=O)c2cn(C3C[NH2+]C3)nn2)c1 O=C([O-])[*:1] O=C(Nc1cncc(c1)[*:1])c1cn(nn1)C1C[NH2+]C1
C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc(C#N)cn1C Clc1ccccc1[*:1] C[C@@H](N(C)C(=O)c1cc(C#N)cn1C)[*:1]
C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(C(=O)N(C)C)c1 c1ccc(cc1)OC[*:1] C[C@@H](C[*:1])C(=O)Nc1cccc(c1)C(=O)N(C)C
C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(C(=O)N(C)C)c1 c1ccc(cc1)[*:1] C[C@@H](CCO[*:1])C(=O)Nc1cccc(c1)C(=O)N(C)C
C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(C(=O)N(C)C)c1 c1ccc(cc1)O[*:1] C[C@@H](CC[*:1])C(=O)Nc1cccc(c1)C(=O)N(C)C
O=c1c2ccccc2ncn1C/C([O-])=N/c1ncn[nH]1 c1n[nH]c(n1)[*:1] O=c1c2ccccc2ncn1CC([O-])=N[*:1]
CCOC(=O)c1sc(C)c2c(=O)[nH]c(-c3ccccc3)nc12 CCOC(=O)[*:1] Cc1sc(c2nc([nH]c(=O)c12)-c1ccccc1)[*:1]
CCOC(=O)c1sc(C)c2c(=O)[nH]c(-c3ccccc3)nc12 c1ccc(cc1)[*:1] CCOC(=O)c1sc(C)c2c(=O)[nH]c(nc12)[*:1]
Cc1ccc(NCc2cnc(-c3ccccn3)s2)cc1OC(F)F FC(F)[*:1] Cc1ccc(cc1O[*:1])NCc1cnc(s1)-c1ccccn1
Cc1ccc(NCc2cnc(-c3ccccn3)s2)cc1OC(F)F FC(F)O[*:1] Cc1ccc(cc1[*:1])NCc1cnc(s1)-c1ccccn1
Cc1ccc(NCc2cnc(-c3ccccn3)s2)cc1OC(F)F c1ccc(nc1)[*:1] Cc1ccc(cc1OC(F)F)NCc1cnc(s1)[*:1]
C#CCOc1ccc(CN(C)[C@@H](C)CC#N)cc1 C#CC[*:1] C[C@@H](CC#N)N(C)Cc1ccc(cc1)O[*:1]
C#CCOc1ccc(CN(C)[C@@H](C)CC#N)cc1 N#CC[*:1] C#CCOc1ccc(cc1)CN(C)[C@@H](C)[*:1]
C#CCOc1ccc(CN(C)[C@@H](C)CC#N)cc1 C#CCO[*:1] C[C@@H](CC#N)N(C)Cc1ccc(cc1)[*:1]
Cc1ncccc1NC(=O)C(=O)NCC(=O)N1CCc2ccccc21 Cc1ncccc1[*:1] O=C(NCC(=O)N1CCc2ccccc21)C(=O)N[*:1]
CC(C)c1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)on1 CC(C)[*:1] O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)on1 c1cncc(c1)O[*:1] CC(C)c1cc(on1)C(=O)NCc1ccc(c(F)c1)[*:1]
CC(C)c1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)on1 CC(C)c1cc(on1)[*:1] O=C(NCc1ccc(Oc2cccnc2)c(F)c1)[*:1]
CC(C)c1cc(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)on1 c1cncc(c1)[*:1] CC(C)c1cc(on1)C(=O)NCc1ccc(O[*:1])c(F)c1
COc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)sc2c1 c1ccc(cc1)[*:1] COc1ccc2nc(NC(=O)[C@H]3CC(=O)N(C3)[*:1])sc2c1
COc1ccc(-c2ccc(N3CCN(C(=O)CSC4CCCC4)CC3)nn2)cc1 COc1ccc(cc1)[*:1] O=C(CSC1CCCC1)N1CCN(CC1)c1ccc(nn1)[*:1]
COc1ccc(-c2ccc(N3CCN(C(=O)CSC4CCCC4)CC3)nn2)cc1 C1CCC(C1)S[*:1] COc1ccc(cc1)-c1ccc(nn1)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(-c2ccc(N3CCN(C(=O)CSC4CCCC4)CC3)nn2)cc1 C1CCC(C1)SC[*:1] COc1ccc(cc1)-c1ccc(nn1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(-c2ccc(N3CCN(C(=O)CSC4CCCC4)CC3)nn2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)-c1ccc(nn1)N1CCN(CC1)C(=O)CS[*:1]
CCc1n[nH]c(S[C@H](C(=O)NC(C)(C)C)C(C)C)n1 CC(C)(C)[*:1] CCc1n[nH]c(n1)S[C@H](C(=O)N[*:1])C(C)C
CCc1n[nH]c(S[C@H](C(=O)NC(C)(C)C)C(C)C)n1 CC(C)[*:1] CCc1n[nH]c(n1)S[C@H](C(=O)NC(C)(C)C)[*:1]
CC(C)C[C@H](NC(=O)CCC(F)(F)F)c1ccccc1 CC(C)C[*:1] O=C(CCC(F)(F)F)N[C@H](c1ccccc1)[*:1]
CC(C)C[C@H](NC(=O)CCC(F)(F)F)c1ccccc1 FC(F)(F)CC[*:1] CC(C)C[C@H](NC(=O)[*:1])c1ccccc1
CC(C)C[C@H](NC(=O)CCC(F)(F)F)c1ccccc1 FC(F)(F)[*:1] CC(C)C[C@H](NC(=O)CC[*:1])c1ccccc1
CC(C)C[C@H](NC(=O)CCC(F)(F)F)c1ccccc1 FC(F)(F)C[*:1] CC(C)C[C@H](NC(=O)C[*:1])c1ccccc1
CC(C)C[C@H](NC(=O)CCC(F)(F)F)c1ccccc1 CC(C)[*:1] O=C(CCC(F)(F)F)N[C@@H](C[*:1])c1ccccc1
CC(C)C[C@H](NC(=O)CCC(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@H](NC(=O)CCC(F)(F)F)[*:1]
c1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3ncccn3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-n1cc(CN2CCN(CC2)c2ncccn2)c(n1)[*:1]
c1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3ncccn3)CC2)cc1 c1cnc(nc1)[*:1] c1ccc(cc1)-c1nn(cc1CN1CCN(CC1)[*:1])-c1ccccc1
c1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3ncccn3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nn(cc1CN1CCN(CC1)c1ncccn1)[*:1]
O=C(Nc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1)c1ccco1 O=C(N[*:1])c1ccco1 O=C([O-])c1cc(ccc1F)S(=O)(=O)Nc1cccc(c1)[*:1]
O=C(Nc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1)c1ccco1 O=C([O-])[*:1] O=C(Nc1cccc(c1)NS(=O)(=O)c1ccc(F)c(c1)[*:1])c1ccco1
O=C(Nc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1)c1ccco1 c1coc(c1)[*:1] O=C([O-])c1cc(ccc1F)S(=O)(=O)Nc1cccc(c1)NC(=O)[*:1]
Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](O)c2sccc2C)c1 Cc1ccsc1[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)NC[C@H](O)[*:1]
Cc1ccc(-c2nc(=O)[nH]c(-c3ccc(C)cc3)[nH+]2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1[nH]c(=O)nc([nH+]1)[*:1]
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(I)c1 Ic1cccc(c1)[*:1] O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)[*:1]
C[C@H](C(=O)N[C@H]1CCc2c(Br)cccc21)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)N[C@H]1CCc2c(Br)cccc21)[*:1]
CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCN(C)CC2)[C@H]3C1=O CCOC[*:1] CN1CCN(CC1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@H]13)O2
CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCN(C)CC2)[C@H]3C1=O CCO[*:1] CN1CCN(CC1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC[*:1])C(=O)[C@H]13)O2
CCOCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCN(C)CC2)[C@H]3C1=O CCOCC[*:1] CN1CCN(CC1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2
O=C(Nc1cccc(N2CCOC2=O)c1)c1ccn(-c2ccc(F)cc2)n1 O=C1OCCN1[*:1] O=C(Nc1cccc(c1)[*:1])c1ccn(n1)-c1ccc(F)cc1
O=C(Nc1cccc(N2CCOC2=O)c1)c1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)N1CCOC1=O)c1ccn(n1)[*:1]
CC(C)NC(=O)NNC(=O)c1ccccc1Sc1ccccc1C#N N#Cc1ccccc1[*:1] CC(C)NC(=O)NNC(=O)c1ccccc1S[*:1]
CC(C)NC(=O)NNC(=O)c1ccccc1Sc1ccccc1C#N CC(C)[*:1] N#Cc1ccccc1Sc1ccccc1C(=O)NNC(=O)N[*:1]
Cc1[nH]c(C(=O)N2CCC(CC(=O)N[C@@H](C)CCc3ccccc3)CC2)c(C)c1C C[C@@H](CCc1ccccc1)[*:1] Cc1[nH]c(C(=O)N2CCC(CC2)CC(=O)N[*:1])c(C)c1C
Cc1[nH]c(C(=O)N2CCC(CC(=O)N[C@@H](C)CCc3ccccc3)CC2)c(C)c1C Cc1[nH]c(c(C)c1C)[*:1] C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(CC1)C(=O)[*:1]
Cc1[nH]c(C(=O)N2CCC(CC(=O)N[C@@H](C)CCc3ccccc3)CC2)c(C)c1C c1ccc(cc1)CC[*:1] Cc1[nH]c(C(=O)N2CCC(CC2)CC(=O)N[C@@H](C)[*:1])c(C)c1C
Cc1[nH]c(C(=O)N2CCC(CC(=O)N[C@@H](C)CCc3ccccc3)CC2)c(C)c1C c1ccc(cc1)C[*:1] Cc1[nH]c(C(=O)N2CCC(CC2)CC(=O)N[C@@H](C)C[*:1])c(C)c1C
Cc1[nH]c(C(=O)N2CCC(CC(=O)N[C@@H](C)CCc3ccccc3)CC2)c(C)c1C c1ccc(cc1)[*:1] Cc1[nH]c(C(=O)N2CCC(CC2)CC(=O)N[C@@H](C)CC[*:1])c(C)c1C
COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(Cl)cc3)sc2c1 Clc1ccc(cc1)[*:1] COc1ccc2nc(sc2c1)-n1nc(C)c2c1NC(=O)C[C@@H]2[*:1]
O=S1(=O)C[C@@H](O)[C@H](N2CCN(c3ccc(Cl)cc3)CC2)C1 Clc1ccc(cc1)[*:1] O=S1(=O)C[C@@H](O)[C@@H](C1)N1CCN(CC1)[*:1]
COc1cc2c(cc1OC)[C@H](c1ccccn1)N(C(C)=O)CC2 c1ccc(nc1)[*:1] COc1cc2CCN(C(C)=O)[C@@H](c2cc1OC)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 c1csc(c1)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(=O)c1cccs1)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 O=C(N[*:1])c1cccs1 Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(cc1)[*:1]
O=C(NC1CCCC1)c1ccc(N2CCSc3ncccc32)s1 C1CCC(C1)[*:1] O=C(N[*:1])c1ccc(s1)N1CCSc2ncccc21
CSCC[C@@H](C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O c1csc(n1)[*:1] CSCC[C@@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CSCC[C@@H](C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O CSCC[*:1] O=C(Nc1nccs1)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CSCC[C@@H](C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O O=C(Nc1nccs1)[*:1] CSCC[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CSCC[C@@H](C(=O)Nc1nccs1)N1C(=O)c2ccccc2C1=O CSC[*:1] O=C(Nc1nccs1)[C@H](C[*:1])N1C(=O)c2ccccc2C1=O
CN(C(=O)COC(=O)/C=C/c1ccc(Cl)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)COC(=O)/C=C/c1ccc(Cl)cc1)[*:1]
CN(C(=O)COC(=O)/C=C/c1ccc(Cl)cc1)C1CCCCC1 Clc1ccc(cc1)[*:1] CN(C(=O)COC(=O)C=C[*:1])C1CCCCC1
C[C@H](NC(=O)N1CCCC[C@@H]1CN1CCOCC1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] C[C@H](NC(=O)N1CCCC[C@@H]1CN1CCOCC1)[*:1]
C[C@H](NC(=O)N1CCCC[C@@H]1CN1CCOCC1)c1nc2ccccc2[nH]1 C1CN(CCO1)[*:1] C[C@H](NC(=O)N1CCCC[C@@H]1C[*:1])c1nc2ccccc2[nH]1
C[C@H](NC(=O)N1CCCC[C@@H]1CN1CCOCC1)c1nc2ccccc2[nH]1 C1CN(CCO1)C[*:1] C[C@H](NC(=O)N1CCCC[C@H]1[*:1])c1nc2ccccc2[nH]1
Cc1ncsc1CNC(=O)N[C@H]1CCc2ccccc2C1 Cc1ncsc1C[*:1] O=C(N[C@H]1CCc2ccccc2C1)N[*:1]
Cc1ncsc1CNC(=O)N[C@H]1CCc2ccccc2C1 Cc1ncsc1[*:1] O=C(NC[*:1])N[C@H]1CCc2ccccc2C1
COc1ccccc1N1C[C@@H](C(=O)O[C@@H](C#N)C2CC2)CC1=O C1CC1[*:1] COc1ccccc1N1C[C@H](CC1=O)C(=O)O[C@@H](C#N)[*:1]
CCCCN1C(=O)/C(=C(/C#N)C(=O)NCc2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] CCCCN1C(=O)/C(=C(/C#N)C(=O)NC[*:1])c2ccccc21
CCCCN1C(=O)/C(=C(/C#N)C(=O)NCc2ccccc2)c2ccccc21 c1ccc(cc1)C[*:1] CCCCN1C(=O)/C(=C(/C#N)C(=O)N[*:1])c2ccccc21
CCCCN1C(=O)/C(=C(/C#N)C(=O)NCc2ccccc2)c2ccccc21 CCC[*:1] N#C/C(C(=O)NCc1ccccc1)=C1/C(=O)N(C[*:1])c2ccccc21
CCCCN1C(=O)/C(=C(/C#N)C(=O)NCc2ccccc2)c2ccccc21 CCCC[*:1] N#C/C(C(=O)NCc1ccccc1)=C1/C(=O)N(c2ccccc21)[*:1]
C[C@H](NC(N)=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 NC(=O)N[*:1] C[C@H](C(=O)NCC(C)(C)c1ccc(Br)cc1)[*:1]
C[C@H](NC(N)=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 C[C@H](NC(N)=O)[*:1] CC(C)(CNC(=O)[*:1])c1ccc(Br)cc1
Cc1ccc(S(=O)(=O)CCC(=O)N2CCCc3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(CCS(=O)(=O)[*:1])N1CCCc2ccccc21
C[C@H](c1ccccc1)N(C)C(=O)Cn1ccc(=O)c2sccc21 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)Cn1ccc(=O)c2sccc21)[*:1]
COc1ccc2nc(CCN(C)C(=O)[C@H]3CCC(=O)N(CC4CCCCC4)C3)[nH]c2c1 C1CCC(CC1)[*:1] COc1ccc2nc(CCN(C)C(=O)[C@H]3CCC(=O)N(C3)C[*:1])[nH]c2c1
COc1ccc2nc(CCN(C)C(=O)[C@H]3CCC(=O)N(CC4CCCCC4)C3)[nH]c2c1 C1CCC(CC1)C[*:1] COc1ccc2nc(CCN(C)C(=O)[C@H]3CCC(=O)N(C3)[*:1])[nH]c2c1
CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 Fc1cccc(c1)[*:1] CCN(C[*:1])C(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C
CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 Fc1cccc(c1)C[*:1] CCN(C(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCN(C1)C(=O)O[*:1]
Cc1nnc(N[C@@H](C)c2ccc(N3CCCC3=O)cc2)s1 Cc1nnc(N[*:1])s1 C[C@@H](c1ccc(cc1)N1CCCC1=O)[*:1]
Cc1nnc(N[C@@H](C)c2ccc(N3CCCC3=O)cc2)s1 Cc1nnc(s1)[*:1] C[C@H](N[*:1])c1ccc(cc1)N1CCCC1=O
Cc1nnc(N[C@@H](C)c2ccc(N3CCCC3=O)cc2)s1 O=C1CCCN1[*:1] Cc1nnc(N[C@@H](C)c2ccc(cc2)[*:1])s1
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1sccc1Br NS(=O)(=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)Cc1sccc1Br
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1sccc1Br Brc1ccsc1C[*:1] C[C@H](c1ccc(cc1)S(N)(=O)=O)N(C)[*:1]
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1sccc1Br Brc1ccsc1[*:1] C[C@H](c1ccc(cc1)S(N)(=O)=O)N(C)C[*:1]
O=C(Cn1cnc2ccccc21)Nc1cccc(-c2cc[nH]n2)c1 c1cc(n[nH]1)[*:1] O=C(Cn1cnc2ccccc21)Nc1cccc(c1)[*:1]
Cc1nc(-c2cccc(CNC(=O)Cc3ccc(C)c(O)c3)c2)n[nH]1 Cc1ccc(cc1O)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)C[*:1]
Cc1nc(-c2cccc(CNC(=O)Cc3ccc(C)c(O)c3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cc1ccc(cc1O)CC(=O)NCc1cccc(c1)[*:1]
C[C@H]1CN(C(=O)c2cnc([C@@H]3CCCO3)s2)C[C@H](C)O1 C1CO[C@@H](C1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1cnc(s1)[*:1]
Cc1cccc(C)c1NC(=O)Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3 Cc1cccc(C)c1[*:1] O=C(Cc1nc2sc3CCCCCc3c2c(=O)[nH]1)N[*:1]
Cc1cc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)no1 Cc1cc(no1)[*:1] O=C(CSc1nc(cs1)-c1ccc(Cl)cc1)N[*:1]
Cc1cc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)no1 Clc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CSc1nc(cs1)[*:1]
CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cnccn1 c1cnc(cn1)[*:1] CN(CCC(=O)N1CCN(CC1)c1ccc(F)cc1)C[*:1]
CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cnccn1 c1cnc(cn1)C[*:1] CN(CCC(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1]
CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cnccn1 Fc1ccc(cc1)[*:1] CN(CCC(=O)N1CCN(CC1)[*:1])Cc1cnccn1
CCS(=O)(=O)c1ccc(NC(=O)N(C)CCOc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)O[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)N(C)CC[*:1]
CCS(=O)(=O)c1ccc(NC(=O)N(C)CCOc2cc(C)cc(C)c2)cc1 CCS(=O)(=O)[*:1] Cc1cc(C)cc(c1)OCCN(C)C(=O)Nc1ccc(cc1)[*:1]
CCS(=O)(=O)c1ccc(NC(=O)N(C)CCOc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)[*:1] CCS(=O)(=O)c1ccc(cc1)NC(=O)N(C)CCO[*:1]
C[C@H]1CCCC[C@@H]1N(C)C(=O)CCS(C)(=O)=O CS(=O)(=O)[*:1] C[C@H]1CCCC[C@@H]1N(C)C(=O)CC[*:1]
C[C@H]1CCCC[C@@H]1N(C)C(=O)CCS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@H]1CCCC[C@@H]1N(C)C(=O)C[*:1]
CN(C)c1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)ccn1 CN(C)[*:1] O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1ccnc(c1)[*:1]
CN(C)c1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)ccn1 Fc1ccc(c(F)c1)[*:1] CN(C)c1cc(ccn1)C(=O)Nc1ncc(C[*:1])s1
Cc1ccccc1Cc1nc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)no1 Cc1ccccc1[*:1] CC(C)N(C)C(=O)C1CC[NH+](CC1)Cc1noc(C[*:1])n1
Cc1ccccc1Cc1nc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)no1 CC(C)N(C)C(=O)[*:1] Cc1ccccc1Cc1nc(C[NH+]2CCC(CC2)[*:1])no1
Cc1ccccc1Cc1nc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)no1 CC(C)[*:1] Cc1ccccc1Cc1nc(C[NH+]2CCC(CC2)C(=O)N(C)[*:1])no1
Cc1ccccc1Cc1nc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)no1 Cc1ccccc1C[*:1] CC(C)N(C)C(=O)C1CC[NH+](CC1)Cc1noc(n1)[*:1]
CCOc1ccc(-c2ccc(C#N)c(SCC(=O)c3ccccc3)n2)cc1 O=C(c1ccccc1)[*:1] CCOc1ccc(cc1)-c1ccc(C#N)c(n1)SC[*:1]
CCOc1ccc(-c2ccc(C#N)c(SCC(=O)c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1ccc(C#N)c(n1)SCC(=O)[*:1]
CCOc1ccc(-c2ccc(C#N)c(SCC(=O)c3ccccc3)n2)cc1 O=C(C[*:1])c1ccccc1 CCOc1ccc(cc1)-c1ccc(C#N)c(n1)S[*:1]
CCOc1ccc(-c2ccc(C#N)c(SCC(=O)c3ccccc3)n2)cc1 CCOc1ccc(cc1)[*:1] N#Cc1ccc(nc1SCC(=O)c1ccccc1)[*:1]
CCOc1ccc(-c2ccc(C#N)c(SCC(=O)c3ccccc3)n2)cc1 CCO[*:1] N#Cc1ccc(nc1SCC(=O)c1ccccc1)-c1ccc(cc1)[*:1]
O=C1NCCN(Cc2cccs2)[C@@H]1CC(=O)N1CCC(Oc2cccnc2)CC1 c1csc(c1)[*:1] O=C1NCCN(C[*:1])[C@@H]1CC(=O)N1CCC(CC1)Oc1cccnc1
O=C1NCCN(Cc2cccs2)[C@@H]1CC(=O)N1CCC(Oc2cccnc2)CC1 c1csc(c1)C[*:1] O=C1NCCN([C@@H]1CC(=O)N1CCC(CC1)Oc1cccnc1)[*:1]
O=C1NCCN(Cc2cccs2)[C@@H]1CC(=O)N1CCC(Oc2cccnc2)CC1 c1cncc(c1)[*:1] O=C1NCCN(Cc2cccs2)[C@@H]1CC(=O)N1CCC(CC1)O[*:1]
O=C1NCCN(Cc2cccs2)[C@@H]1CC(=O)N1CCC(Oc2cccnc2)CC1 c1cncc(c1)O[*:1] O=C1NCCN(Cc2cccs2)[C@@H]1CC(=O)N1CCC(CC1)[*:1]
Cc1nc(-c2cccc(NC(=O)[C@@H](CC(C)C)N3CCCCC3=O)c2)n[nH]1 CC(C)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)NC(=O)[C@@H](C[*:1])N1CCCCC1=O
Cc1nc(-c2cccc(NC(=O)[C@@H](CC(C)C)N3CCCCC3=O)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] CC(C)C[C@H](C(=O)Nc1cccc(c1)[*:1])N1CCCCC1=O
Cc1nc(-c2cccc(NC(=O)[C@@H](CC(C)C)N3CCCCC3=O)c2)n[nH]1 CC(C)C[*:1] Cc1nc(n[nH]1)-c1cccc(c1)NC(=O)[C@@H](N1CCCCC1=O)[*:1]
Cc1nc(-c2cccc(NC(=O)[C@@H](CC(C)C)N3CCCCC3=O)c2)n[nH]1 O=C1CCCCN1[*:1] Cc1nc(n[nH]1)-c1cccc(c1)NC(=O)[C@@H](CC(C)C)[*:1]
COc1ccccc1N1C[C@H](C(=O)Nc2ccc(Br)cn2)CC1=O Brc1ccc(nc1)[*:1] COc1ccccc1N1C[C@@H](CC1=O)C(=O)N[*:1]
COc1ccccc1N1C[C@H](C(=O)Nc2ccc(Br)cn2)CC1=O COc1ccccc1[*:1] O=C(Nc1ccc(Br)cn1)[C@@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc(N(C)C)c(F)c2)c1 CC(=O)N[*:1] CN(C)c1ccc(cc1F)C(=O)OCC(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc(N(C)C)c(F)c2)c1 CN(C)[*:1] CC(=O)Nc1cccc(c1)NC(=O)COC(=O)c1ccc(c(F)c1)[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc(C)nc2)C1 CCCC[*:1] Cc1ccc(cn1)CC(=O)N1C[C@H](CC[C@H]1C)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc(C)nc2)C1 Cc1ccc(cn1)[*:1] CCCCNC(=O)[C@H]1CC[C@@H](C)N(C1)C(=O)C[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc(C)nc2)C1 CCCCNC(=O)[*:1] Cc1ccc(cn1)CC(=O)N1C[C@H](CC[C@H]1C)[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc(C)nc2)C1 CCC[*:1] Cc1ccc(cn1)CC(=O)N1C[C@H](CC[C@H]1C)C(=O)NC[*:1]
CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2ccc(C)nc2)C1 Cc1ccc(cn1)C[*:1] CCCCNC(=O)[C@H]1CC[C@@H](C)N(C1)C(=O)[*:1]
CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[NH+](C(C)C)C2 CC(C)[*:1] CCOC(=O)c1c(NC(=O)c2cccc(c2C)[N+](=O)[O-])sc2C[NH+](CCc21)[*:1]
CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[NH+](C(C)C)C2 O=[N+]([O-])[*:1] CCOC(=O)c1c(NC(=O)c2cccc(c2C)[*:1])sc2C[NH+](CCc21)C(C)C
CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[NH+](C(C)C)C2 CCOC(=O)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1sc2C[NH+](CCc2c1[*:1])C(C)C
CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[NH+](C(C)C)C2 Cc1c(cccc1[*:1])[N+](=O)[O-] CCOC(=O)c1c(NC(=O)[*:1])sc2C[NH+](CCc21)C(C)C
CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O[C@@H](C)[C@H]1CCCO1 CC(=O)N[*:1] C[C@H](OC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)[*:1])[C@H]1CCCO1
Cc1occc1C(=O)NCC(=O)N(C)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1occc1C(=O)NCC(=O)N(C)Cc1cccc(c1)[*:1]
Cc1occc1C(=O)NCC(=O)N(C)Cc1cccc(C(F)(F)F)c1 Cc1occc1[*:1] CN(Cc1cccc(c1)C(F)(F)F)C(=O)CNC(=O)[*:1]
CCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)C1 CCC(=O)N[*:1] CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CCC[C@H](C2)[*:1])C1
CCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)C1 CC(C)[*:1] CCC(=O)N[C@@H]1CCCN(C1)C(=O)C[C@@H]1CCCN(C1)C(=O)NC[*:1]
CCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)C1 CC(C)C[*:1] CCC(=O)N[C@@H]1CCCN(C1)C(=O)C[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1cccc2sc(OC3CN(C(=O)C4(c5ccccc5)CCOCC4)C3)nc12 c1ccc(cc1)[*:1] COc1cccc2sc(nc12)OC1CN(C1)C(=O)C1(CCOCC1)[*:1]
O=C(COC(=O)c1cccnc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(COC(=O)c1cccnc1Cl)Nc1cccc(c1)[*:1]
O=C(COC(=O)c1cccnc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 Clc1ncccc1[*:1] O=C(COC(=O)[*:1])Nc1cccc(c1)S(=O)(=O)N1CCOCC1
CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1 CC(C)C[*:1] CCOc1ccc(cc1)S(=O)(=O)Nc1ccc2OCC(C)(C)C(=O)N(c2c1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1 CCOc1ccc(cc1)[*:1] CC(C)CN1C(=O)C(C)(C)COc2ccc(cc21)NS(=O)(=O)[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1 CC(C)[*:1] CCOc1ccc(cc1)S(=O)(=O)Nc1ccc2OCC(C)(C)C(=O)N(C[*:1])c2c1
CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1 CCO[*:1] CC(C)CN1C(=O)C(C)(C)COc2ccc(cc21)NS(=O)(=O)c1ccc(cc1)[*:1]
CCS(=O)(=O)CCN(C)[C@@H](C)c1nc(N)c2c(C)c(C)sc2n1 CCS(=O)(=O)C[*:1] Cc1sc2nc(nc(N)c2c1C)[C@H](C)N(C)C[*:1]
CCS(=O)(=O)CCN(C)[C@@H](C)c1nc(N)c2c(C)c(C)sc2n1 CCS(=O)(=O)[*:1] Cc1sc2nc(nc(N)c2c1C)[C@H](C)N(C)CC[*:1]
CCS(=O)(=O)CCN(C)[C@@H](C)c1nc(N)c2c(C)c(C)sc2n1 CCS(=O)(=O)CC[*:1] Cc1sc2nc(nc(N)c2c1C)[C@H](C)N(C)[*:1]
O=C(Nc1ccc2[nH+]c(N3CCCCCC3)cc(C(=O)[O-])c2c1)c1ccc(F)cc1 C1CCCN(CC1)[*:1] O=C(Nc1ccc2[nH+]c(cc(C(=O)[O-])c2c1)[*:1])c1ccc(F)cc1
O=C(Nc1ccc2[nH+]c(N3CCCCCC3)cc(C(=O)[O-])c2c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C([O-])c1cc([nH+]c2ccc(cc12)NC(=O)[*:1])N1CCCCCC1
O=C(Nc1ccc2[nH+]c(N3CCCCCC3)cc(C(=O)[O-])c2c1)c1ccc(F)cc1 O=C([O-])[*:1] O=C(Nc1ccc2[nH+]c(cc(c2c1)[*:1])N1CCCCCC1)c1ccc(F)cc1
O=C(Nc1ccc2[nH+]c(N3CCCCCC3)cc(C(=O)[O-])c2c1)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 O=C([O-])c1cc([nH+]c2ccc(cc12)[*:1])N1CCCCCC1
O=C(Nc1ccccc1)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)[C@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
O=C(Nc1ccccc1)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1)N1CCN(CC1)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
NC(=O)c1ccc(CN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C2CC2)cc1 C1CC1[*:1] NC(=O)c1ccc(cc1)CN(C(=O)c1nc(-c2ccccc2)n2CCCCCc12)[*:1]
NC(=O)c1ccc(CN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C2CC2)cc1 NC(=O)c1ccc(cc1)C[*:1] O=C(c1nc(-c2ccccc2)n2CCCCCc12)N(C1CC1)[*:1]
NC(=O)c1ccc(CN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C2CC2)cc1 NC(=O)[*:1] O=C(c1nc(-c2ccccc2)n2CCCCCc12)N(Cc1ccc(cc1)[*:1])C1CC1
NC(=O)c1ccc(CN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C2CC2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(c1nc(-c2ccccc2)n2CCCCCc12)N(C[*:1])C1CC1
NC(=O)c1ccc(CN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C2CC2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)CN(C(=O)c1nc(n2CCCCCc12)[*:1])C1CC1
Cc1cc(Cl)ccc1NC(=O)CN1CCO[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1NC(=O)CN1CCO[C@@H](C1)[*:1]
Cc1cc(Cl)ccc1NC(=O)CN1CCO[C@@H](c2ccccc2)C1 Cc1cc(Cl)ccc1[*:1] O=C(CN1CCO[C@H](C1)c1ccccc1)N[*:1]
COc1ccccc1C(C)(C)NC(=O)/C=C/SCc1ccco1 c1coc(c1)[*:1] COc1ccccc1C(C)(C)NC(=O)/C=C/SC[*:1]
COc1ccccc1C(C)(C)NC(=O)/C=C/SCc1ccco1 c1coc(c1)CS[*:1] COc1ccccc1C(C)(C)NC(=O)C=C[*:1]
COc1ccccc1C(C)(C)NC(=O)/C=C/SCc1ccco1 c1coc(c1)C[*:1] COc1ccccc1C(C)(C)NC(=O)/C=C/S[*:1]
CCc1onc(C)c1NC(=O)c1cnc(-c2ccccc2F)s1 Fc1ccccc1[*:1] CCc1onc(C)c1NC(=O)c1cnc(s1)[*:1]
Cc1c(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C
CCN(CC)c1ccc(CNC(=O)NNC(=O)Nc2ccccc2)c[nH+]1 c1ccc(cc1)[*:1] CCN(CC)c1ccc(c[nH+]1)CNC(=O)NNC(=O)N[*:1]
CCN(CC)c1ccc(CNC(=O)NNC(=O)Nc2ccccc2)c[nH+]1 CCN(CC)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])NNC(=O)Nc1ccccc1
Cc1ccc(C(=O)CCC(=O)Oc2ccc(C#N)cc2Cl)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(OC(=O)CCC(=O)[*:1])c(Cl)c1
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(C(=O)Nc2cccs2)CC1 FC(F)(F)[*:1] O=C(Nc1cc(cc(c1)[*:1])C(F)(F)F)C1CCN(CC1)C(=O)Nc1cccs1
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(C(=O)Nc2cccs2)CC1 c1csc(c1)[*:1] O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C1CCN(CC1)C(=O)N[*:1]
C[C@H]([NH2+][C@H](C)CC(=O)N(C)C)C1CCC1 C1CC(C1)[*:1] C[C@H]([NH2+][C@H](C)CC(=O)N(C)C)[*:1]
C[C@H]([NH2+][C@H](C)CC(=O)N(C)C)C1CCC1 CN(C)C(=O)[*:1] C[C@H]([NH2+][C@H](C)C[*:1])C1CCC1
CS[C@@H]1CC[C@H](NC(=O)CCc2c(C)nn(CC(C)C)c2C)C1 CC(C)C[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)CCc1c(C)nn(c1C)[*:1]
CS[C@@H]1CC[C@H](NC(=O)CCc2c(C)nn(CC(C)C)c2C)C1 CC(C)[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)CCc1c(C)nn(C[*:1])c1C
Cc1nn2cc(CCNC(=O)c3cc(C(C)C)no3)nc2s1 CC(C)[*:1] Cc1nn2cc(CCNC(=O)c3cc(no3)[*:1])nc2s1
C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1ccc(cc1)[*:1]
O=C1OCC[C@@H]1Sc1nn(-c2ccccc2)c(=S)s1 c1ccc(cc1)[*:1] O=C1OCC[C@@H]1Sc1nn(c(=S)s1)[*:1]
Clc1ccc(-c2nnc3sc(-c4ccncc4)nn23)c(Cl)c1 c1cc(ccn1)[*:1] Clc1ccc(c(Cl)c1)-c1nnc2sc(nn12)[*:1]
Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cccc(-c3ccccn3)c2)o1 c1ccc(nc1)[*:1] Cc1nnc(o1)[C@@H]1Cc2ccccc2CN1Cc1cccc(c1)[*:1]
Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cccc(-c3ccccn3)c2)o1 Cc1nnc(o1)[*:1] c1ccc(nc1)-c1cccc(c1)CN1Cc2ccccc2C[C@H]1[*:1]
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(C)=O)c2)cc1 CCO[*:1] CC(=O)c1cccc(c1)NC(=O)/C(C#N)=C/c1ccc(cc1)[*:1]
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(C)=O)c2)cc1 CC(=O)[*:1] CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(c2)[*:1])cc1
CCOc1ccccc1CCNC(=O)N1CCCCCC1 CCO[*:1] O=C(NCCc1ccccc1[*:1])N1CCCCCC1
Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1C NC(=O)[*:1] Cc1cccc(C(=O)OCC(=O)Nc2sc3CCCc3c2[*:1])c1C
Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1C Cc1cccc(c1C)[*:1] NC(=O)c1c(NC(=O)COC(=O)[*:1])sc2CCCc21
Cc1ccc2c(c1)-c1onc(C(=O)Nc3ccc(Cl)cc3)c1CO2 Clc1ccc(cc1)[*:1] Cc1ccc2OCc3c(noc3-c2c1)C(=O)N[*:1]
Cc1cccn2c(=O)c(C(=O)N3CCC[C@@H](NC(=O)C(C)C)C3)cnc12 CC(C)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N1CCC[C@H](C1)NC(=O)[*:1]
Cc1cccn2c(=O)c(C(=O)N3CCC[C@@H](NC(=O)C(C)C)C3)cnc12 CC(C)C(=O)N[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](c1cccs1)N(C)C c1csc(c1)[*:1] Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](N(C)C)[*:1]
Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](c1cccs1)N(C)C CN(C)[*:1] Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](c1cccs1)[*:1]
C[NH2+][C@H](C1CCCCC1)[C@H]1CCO[C@]2(CCSC2)C1 C1CCC(CC1)[*:1] C[NH2+][C@H]([C@H]1CCO[C@]2(CCSC2)C1)[*:1]
C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCc2c1cnn2CCO OCC[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCc2c1cnn2[*:1]
C[C@H]1CC[C@H](C(N)=O)CN1c1ncnc2sccc12 NC(=O)[*:1] C[C@H]1CC[C@H](CN1c1ncnc2sccc12)[*:1]
CC(C)CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccccc2)C1=O CC(C)C[*:1] O=C1CN(C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](c3ccccc3)N12)[*:1]
CC(C)CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2[*:1])C1=O
CC(C)CN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccccc2)C1=O CC(C)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](c3ccccc3)N2C(=O)CN1C[*:1]
Cc1cc(C(F)F)n2ncc(C(=O)N3CCC(C(=O)c4ccco4)CC3)c2n1 O=C(c1ccco1)[*:1] Cc1cc(C(F)F)n2ncc(C(=O)N3CCC(CC3)[*:1])c2n1
Cc1cc(C(F)F)n2ncc(C(=O)N3CCC(C(=O)c4ccco4)CC3)c2n1 FC(F)[*:1] Cc1cc(n2ncc(C(=O)N3CCC(CC3)C(=O)c3ccco3)c2n1)[*:1]
Cc1cc(C(F)F)n2ncc(C(=O)N3CCC(C(=O)c4ccco4)CC3)c2n1 c1coc(c1)[*:1] Cc1cc(C(F)F)n2ncc(C(=O)N3CCC(CC3)C(=O)[*:1])c2n1
Cc1cccc(-c2cccc(O)c2)c1C(=O)[O-] O=C([O-])[*:1] Cc1cccc(-c2cccc(O)c2)c1[*:1]
CCOC(=O)Cn1cc(C#N)c2ccccc21 CCOC(=O)[*:1] N#Cc1cn(C[*:1])c2ccccc12
Cn1c(=O)c2cc(C#Cc3ccccc3)nnc2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2cc(C#C[*:1])nnc2n(C)c1=O
NC(=[NH2+])c1ccc2ccc(C(F)(F)F)nc2c1 FC(F)(F)[*:1] NC(=[NH2+])c1ccc2ccc(nc2c1)[*:1]
NC(=[NH2+])c1ccc2ccc(C(F)(F)F)nc2c1 NC(=[NH2+])[*:1] FC(F)(F)c1ccc2ccc(cc2n1)[*:1]
CC[C@@H]([NH2+]CC[C@H](C)[S@](C)=O)c1c(C)nn(C)c1C C[S@](=O)[*:1] CC[C@@H]([NH2+]CC[C@H](C)[*:1])c1c(C)nn(C)c1C
CCc1n[n-]c([S@@](=O)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)n1 FC(F)(F)[*:1] CCc1n[n-]c(n1)[S@@](=O)[C@@H](C)C(=O)Nc1ccccc1[*:1]
COc1cc(NC(=O)Cc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)cc(OC)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)Cc1c(C)nc2c(c(C)nn2c1C)[*:1]
COc1cc(NC(=O)Cc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)cc(OC)c1 COc1cc(cc(c1)[*:1])OC Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)N[*:1]
N#Cc1csc(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1 N#Cc1csc(c1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
N#Cc1csc(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1 O=S(=O)(NC1CC1)[*:1] N#Cc1csc(c1)C(=O)Nc1ccc(cc1)[*:1]
N#Cc1csc(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1 C1CC1[*:1] N#Cc1csc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)(C)c1csc(C[NH2+]CC(C2CC2)C2CC2)n1 C1CC1[*:1] CC(C)(C)c1csc(C[NH2+]CC(C2CC2)[*:1])n1
CC(C)(C)c1csc(C[NH2+]CC(C2CC2)C2CC2)n1 CC(C)(C)[*:1] c1sc(C[NH2+]CC(C2CC2)C2CC2)nc1[*:1]
CC(C)c1csc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)n1 O=C([O-])[*:1] CC(C)c1csc(n1)C(=O)N1C[C@@H]2c3ccccc3OC[C@@]2(C1)[*:1]
CC(C)c1csc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)n1 CC(C)c1csc(n1)[*:1] O=C([O-])[C@]12COc3ccccc3[C@H]1CN(C2)C(=O)[*:1]
CC(C)c1csc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)n1 CC(C)[*:1] O=C(c1nc(cs1)[*:1])N1C[C@@H]2c3ccccc3OC[C@@]2(C1)C(=O)[O-]
Cn1ccnc1[C@H](NC(=O)c1ccccc1I)c1cccc(F)c1 Fc1cccc(c1)[*:1] Cn1ccnc1[C@H](NC(=O)c1ccccc1I)[*:1]
Cn1ccnc1[C@H](NC(=O)c1ccccc1I)c1cccc(F)c1 Cn1ccnc1[*:1] O=C(N[C@H](c1cccc(F)c1)[*:1])c1ccccc1I
Cn1ccnc1[C@H](NC(=O)c1ccccc1I)c1cccc(F)c1 Ic1ccccc1[*:1] Cn1ccnc1[C@H](NC(=O)[*:1])c1cccc(F)c1
COC(=O)Cn1cc(C[NH2+][C@H]2CCOc3cc(C)c(Cl)c(C)c32)nn1 COC(=O)[*:1] Cc1cc2OCC[C@H]([NH2+]Cc3cn(C[*:1])nn3)c2c(C)c1Cl
COC(=O)Cn1cc(C[NH2+][C@H]2CCOc3cc(C)c(Cl)c(C)c32)nn1 COC(=O)C[*:1] Cc1cc2OCC[C@H]([NH2+]Cc3cn(nn3)[*:1])c2c(C)c1Cl
Cc1cc2c(cc1C)O[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C2 C1CO[C@@H](C1)C[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N(CC[NH+](C)C)[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C2 C1CO[C@@H](C1)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N(CC[NH+](C)C)C[*:1]
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 CCn1nnnc1[*:1] COc1ccc(cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1cc(Cl)ccc1NC(=O)CCn1cccc1 c1ccn(c1)C[*:1] Cc1cc(Cl)ccc1NC(=O)C[*:1]
Cc1cc(Cl)ccc1NC(=O)CCn1cccc1 c1ccn(c1)[*:1] Cc1cc(Cl)ccc1NC(=O)CC[*:1]
CCCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1O CCC[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)C(=O)Nc1ccccc1O[*:1]
CCCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1O CCCO[*:1] O=C(NC[C@@H]1CCC[C@@H]1O)C(=O)Nc1ccccc1[*:1]
COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)nc2[O-])cc1 COc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nnc(C[*:1])c([O-])n1
COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)nc2[O-])cc1 Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1)Cc1nnc(nc1[O-])SCC(=O)N[*:1]
COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)nc2[O-])cc1 COc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)NC(=O)CSc1nnc(c([O-])n1)[*:1]
C=CCN(Cc1cccs1)C(=O)[C@H]1SCCc2ccccc21 c1csc(c1)C[*:1] C=CCN(C(=O)[C@H]1SCCc2ccccc21)[*:1]
C=CCN(Cc1cccs1)C(=O)[C@H]1SCCc2ccccc21 c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)[C@H]1SCCc2ccccc21
C=CCN(Cc1cccs1)C(=O)[C@H]1SCCc2ccccc21 C=CC[*:1] O=C([C@H]1SCCc2ccccc21)N(Cc1cccs1)[*:1]
Cc1cc2nnc(SCC(=O)NCc3ccccc3)n2c2ccccc12 c1ccc(cc1)[*:1] Cc1cc2nnc(SCC(=O)NC[*:1])n2c2ccccc12
Cc1cc2nnc(SCC(=O)NCc3ccccc3)n2c2ccccc12 c1ccc(cc1)C[*:1] Cc1cc2nnc(SCC(=O)N[*:1])n2c2ccccc12
COc1ncc(Br)cc1C(N)=O NC(=O)[*:1] COc1ncc(Br)cc1[*:1]
CCCCNC(=O)NC(=O)CN1C[C@@H](C(=O)NC)Oc2ccccc21 CCC[*:1] CNC(=O)[C@@H]1CN(CC(=O)NC(=O)NC[*:1])c2ccccc2O1
CCCCNC(=O)NC(=O)CN1C[C@@H](C(=O)NC)Oc2ccccc21 CCCC[*:1] CNC(=O)[C@@H]1CN(CC(=O)NC(=O)N[*:1])c2ccccc2O1
CCCCNC(=O)NC(=O)CN1C[C@@H](C(=O)NC)Oc2ccccc21 CNC(=O)[*:1] CCCCNC(=O)NC(=O)CN1C[C@@H](Oc2ccccc21)[*:1]
COC(=O)c1cc2cc[nH]c2nc1OC COC(=O)[*:1] COc1nc2[nH]ccc2cc1[*:1]
Cc1cc(NC(=O)c2ccncc2)n(-c2ccccc2F)n1 c1cc(ccn1)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ccccc1F
Cc1cc(NC(=O)c2ccncc2)n(-c2ccccc2F)n1 Fc1ccccc1[*:1] Cc1cc(NC(=O)c2ccncc2)n(n1)[*:1]
CC(C)(C)C(=O)NNC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C CC(C)(C)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)NNC(=O)[*:1]
O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(F)c1F c1ccc(cc1)[*:1] O=C(NCCN1CC[NH+](CC1)C[*:1])Nc1cccc(F)c1F
O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(F)c1F c1ccc(cc1)C[*:1] O=C(NCCN1CC[NH+](CC1)[*:1])Nc1cccc(F)c1F
O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(NCCN1CC[NH+](CC1)Cc1ccccc1)N[*:1]
C=CCOc1ccc(OC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1 C=CCO[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Oc1ccc(cc1)[*:1]
C=CCOc1ccc(OC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1 C=CC[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Oc1ccc(cc1)O[*:1]
Cc1coc(-c2cc(NCc3cccc(O)c3)ccc2C)n1 Oc1cccc(c1)[*:1] Cc1coc(n1)-c1cc(ccc1C)NC[*:1]
Cc1coc(-c2cc(NCc3cccc(O)c3)ccc2C)n1 Cc1coc(n1)[*:1] Cc1ccc(cc1[*:1])NCc1cccc(O)c1
CCOC(=O)c1cc2ccc(Br)cc2nc1C(=O)OCC CCOC(=O)[*:1] CCOC(=O)c1cc2ccc(Br)cc2nc1[*:1]
CCOC(=O)c1cc2ccc(Br)cc2nc1C(=O)OCC CCOC(=O)[*:1] CCOC(=O)c1nc2cc(Br)ccc2cc1[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N2CCC(Cc3ccccc3)CC2)C1 c1ccc(cc1)[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)N1CCC(CC1)C[*:1]
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N2CCC(Cc3ccccc3)CC2)C1 c1ccc(cc1)C[*:1] CC[S@](=O)[C@H]1CCC[C@@H](C1)NC(=O)N1CCC(CC1)[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN(C)C(=O)[C@H]1CCCN(C1)C(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(cc1)[*:1]
CN(Cc1ccon1)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 c1cc(C[*:1])no1 CN1C(=O)[C@@](CC(=O)N(C)[*:1])(Cc2ccccc2)c2ccccc21
CN(Cc1ccon1)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 c1ccc(cc1)[*:1] CN(Cc1ccon1)C(=O)C[C@@]1(C[*:1])C(=O)N(C)c2ccccc21
CN(Cc1ccon1)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 c1cc(no1)[*:1] CN(C[*:1])C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21
CN(Cc1ccon1)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 c1ccc(cc1)C[*:1] CN(Cc1ccon1)C(=O)C[C@]1(C(=O)N(C)c2ccccc21)[*:1]
COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc(Cl)c1OC(C)C O=C(N[*:1])c1ccccc1 COc1cc(cc(Cl)c1OC(C)C)[C@@H]1c2c(C)nn(C)c2NC(=O)[C@@H]1[*:1]
COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc(Cl)c1OC(C)C c1ccc(cc1)[*:1] COc1cc(cc(Cl)c1OC(C)C)[C@@H]1c2c(C)nn(C)c2NC(=O)[C@H]1NC(=O)[*:1]
COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc(Cl)c1OC(C)C CC(C)[*:1] COc1cc(cc(Cl)c1O[*:1])[C@@H]1c2c(C)nn(C)c2NC(=O)[C@H]1NC(=O)c1ccccc1
COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)cc(Cl)c1OC(C)C CC(C)O[*:1] COc1cc(cc(Cl)c1[*:1])[C@@H]1c2c(C)nn(C)c2NC(=O)[C@H]1NC(=O)c1ccccc1
CNC(=O)c1ccc(CS(=O)(=O)[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 CC(C)[*:1] CNC(=O)c1ccc(cc1)CS(=O)(=O)[C@@H](C)C(=O)N(C(C)C)[*:1]
CNC(=O)c1ccc(CS(=O)(=O)[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 CNC(=O)[*:1] CC(C)N(C(=O)[C@H](C)S(=O)(=O)Cc1ccc(cc1)[*:1])C(C)C
O=C(CCn1ccccc1=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 O=c1ccccn1[*:1] O=C(CC[*:1])N[C@@H]1CCC[C@@H]1Cc1ccccc1
O=C(CCn1ccccc1=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(CCn1ccccc1=O)N[C@@H]1CCC[C@@H]1C[*:1]
O=C(CCn1ccccc1=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 O=c1ccccn1C[*:1] O=C(C[*:1])N[C@@H]1CCC[C@@H]1Cc1ccccc1
O=C(CCn1ccccc1=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCn1ccccc1=O)N[C@@H]1CCC[C@H]1[*:1]
CC(C)CC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CC(C)CC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)CC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 CC(C)CC(=O)N[*:1] O=C(NCc1ccccc1)c1ccc(cc1)[*:1]
CC(C)CC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)CC(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CC(C)CC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 CC(C)C[*:1] O=C(NCc1ccccc1)c1ccc(cc1)NC(=O)[*:1]
CC(C)CC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 CC(C)[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)NCc1ccccc1
CCc1nn(C)cc1CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 CCc1nn(C)cc1[*:1] C[C@H](NC(=O)NC[*:1])c1cccc(c1)-n1ccnc1
CCc1nn(C)cc1CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] CCc1nn(C)cc1CNC(=O)N[C@@H](C)c1cccc(c1)[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccccc3)S2)cc1 COc1ccc(cc1)NC(=O)[*:1] O=C1C[C@@H](S/C(=N\c2ccccc2)N1Cc1ccc(Cl)cc1)[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccccc3)S2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C(=N[*:1])S1
COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccccc3)S2)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(/C(=N/c2ccccc2)S1)[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccccc3)S2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccccc2)S1
COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccccc3)S2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C[*:1])/C(=N/c2ccccc2)S1
O=C(CCc1cccnc1)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(CCc1cccnc1)Nc1ccc(cc1)O[*:1]
O=C(CCc1cccnc1)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CCc1cccnc1)Nc1ccc(cc1)OC[*:1]
O=C(CCc1cccnc1)Nc1ccc(OCc2ccccc2)cc1 c1cncc(c1)C[*:1] O=C(C[*:1])Nc1ccc(cc1)OCc1ccccc1
O=C(CCc1cccnc1)Nc1ccc(OCc2ccccc2)cc1 c1cncc(c1)[*:1] O=C(CC[*:1])Nc1ccc(cc1)OCc1ccccc1
O=C(CCc1cccnc1)Nc1ccc(OCc2ccccc2)cc1 c1cncc(c1)CC[*:1] O=C(Nc1ccc(cc1)OCc1ccccc1)[*:1]
O=C(CCc1cccnc1)Nc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] O=C(CCc1cccnc1)Nc1ccc(cc1)[*:1]
CCC(CC)N(C)C(=O)N[C@@H]1CCC[C@H](C)C1 CCC(CC)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)N(C)[*:1]
Cc1ccc(CC(=O)N[C@@H](C)c2c(F)cccc2Cl)cn1 Cc1ccc(cn1)[*:1] C[C@H](NC(=O)C[*:1])c1c(F)cccc1Cl
Cc1csc([C@H](C)NC(=O)c2cccn2CCc2ccccc2)n1 c1ccc(cc1)CC[*:1] Cc1csc(n1)[C@H](C)NC(=O)c1cccn1[*:1]
Cc1csc([C@H](C)NC(=O)c2cccn2CCc2ccccc2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)c1cccn1CCc1ccccc1)[*:1]
Cc1csc([C@H](C)NC(=O)c2cccn2CCc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)[C@H](C)NC(=O)c1cccn1C[*:1]
Cc1csc([C@H](C)NC(=O)c2cccn2CCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)c1cccn1CC[*:1]
C[C@](O)(CNC(=O)CCS(C)(=O)=O)c1ccc(F)cc1 CS(=O)(=O)C[*:1] C[C@](O)(CNC(=O)C[*:1])c1ccc(F)cc1
C[C@](O)(CNC(=O)CCS(C)(=O)=O)c1ccc(F)cc1 CS(=O)(=O)CC[*:1] C[C@](O)(CNC(=O)[*:1])c1ccc(F)cc1
C[C@](O)(CNC(=O)CCS(C)(=O)=O)c1ccc(F)cc1 CS(=O)(=O)[*:1] C[C@](O)(CNC(=O)CC[*:1])c1ccc(F)cc1
CC1=NN(C(=O)[C@H](C)n2nccc2C)[C@@](O)(C(F)F)C1 Cc1ccnn1[*:1] CC1C[C@](O)(C(F)F)N(N=1)C(=O)[C@H](C)[*:1]
CC1=NN(C(=O)[C@H](C)n2nccc2C)[C@@](O)(C(F)F)C1 FC(F)[*:1] CC1C[C@](O)(N(N=1)C(=O)[C@H](C)n1nccc1C)[*:1]
COC(=O)[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 COC(=O)[*:1] O=C([O-])C1CCN(CC1)S(=O)(=O)N1CC[C@H](C1)[*:1]
COC(=O)[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 O=C([O-])[*:1] COC(=O)[C@@H]1CCN(C1)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1nc(Nc2ncnc(Nc3ccc(C(C)C)cc3)c2N)sc1C CC(C)[*:1] Cc1nc(Nc2ncnc(Nc3ccc(cc3)[*:1])c2N)sc1C
Cc1nc(Nc2ncnc(Nc3ccc(C(C)C)cc3)c2N)sc1C Cc1nc(N[*:1])sc1C CC(C)c1ccc(cc1)Nc1ncnc(c1N)[*:1]
Cc1nc(Nc2ncnc(Nc3ccc(C(C)C)cc3)c2N)sc1C Cc1nc(sc1C)[*:1] CC(C)c1ccc(cc1)Nc1ncnc(N[*:1])c1N
C=C(C)COc1ccccc1C(=O)Nc1cccc(NC(=O)CC)c1 CCC(=O)N[*:1] C=C(C)COc1ccccc1C(=O)Nc1cccc(c1)[*:1]
C=C(C)COc1ccccc1C(=O)Nc1cccc(NC(=O)CC)c1 C=C(C)[*:1] CCC(=O)Nc1cccc(c1)NC(=O)c1ccccc1OC[*:1]
C=C(C)COc1ccccc1C(=O)Nc1cccc(NC(=O)CC)c1 C=C(C)CO[*:1] CCC(=O)Nc1cccc(c1)NC(=O)c1ccccc1[*:1]
C=C(C)COc1ccccc1C(=O)Nc1cccc(NC(=O)CC)c1 C=C(C)C[*:1] CCC(=O)Nc1cccc(c1)NC(=O)c1ccccc1O[*:1]
Cc1c([C@@H](C)[NH2+]C[C@]2(O)CCOC2)nnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])[C@@H](C)[NH2+]C[C@]1(O)CCOC1
CCc1nn(CC)c(C[C@@H]([NH2+]C)[C@H]2CN(C)CCO2)c1Br CN1CCO[C@H](C1)[*:1] CCc1nn(CC)c(C[C@@H]([NH2+]C)[*:1])c1Br
CCN1CCO[C@H](C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)C1 Cc1ccc(cc1)C[*:1] CCN1CCO[C@@H](C1)C(=O)Nc1nnc(s1)[*:1]
CCN1CCO[C@H](C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)C1 Cc1ccc(cc1)[*:1] CCN1CCO[C@@H](C1)C(=O)Nc1nnc(C[*:1])s1
O=C(CSc1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 Clc1ccc(cc1)S[*:1] O=C(C[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
O=C(CSc1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 Clc1ccc(cc1)[*:1] O=C(CS[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
CNS(=O)(=O)CC(=O)N1CCN(c2cccc(C)c2C)CC1 CNS(=O)(=O)[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)C[*:1]
CNS(=O)(=O)CC(=O)N1CCN(c2cccc(C)c2C)CC1 CNS(=O)(=O)C[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)[*:1]
CCc1nc(C(=O)N2CCN(C(=O)C3CC3)CC2)n[nH]1 C1CC1[*:1] CCc1nc(n[nH]1)C(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 O=C(N[*:1])c1ccco1 CC(C)[C@@H](C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)[*:1]
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 c1coc(c1)[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 CC(C)[*:1] C[C@@H](NC(=O)[C@H](NC(=O)c1ccco1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CS[C@H](C)C(=O)N1CC(=O)Nc2cc(Br)ccc21 CS[C@H](C)[*:1] O=C1CN(C(=O)[*:1])c2ccc(Br)cc2N1
O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(c1ccccc1O)N1CCN(CC1)C[*:1]
O=C(c1ccccc1O)N1CCN(Cc2ccc(Cl)cc2)CC1 Oc1ccccc1[*:1] O=C(N1CCN(CC1)Cc1ccc(Cl)cc1)[*:1]
COC(=O)c1cc(-c2ncccc2C(=O)[O-])cs1 COC(=O)[*:1] O=C([O-])c1cccnc1-c1csc(c1)[*:1]
COC(=O)c1cc(-c2ncccc2C(=O)[O-])cs1 O=C([O-])[*:1] COC(=O)c1cc(cs1)-c1ncccc1[*:1]
Cc1cnc(C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cn1 Cc1cnc(cn1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)COC(=O)[*:1]
COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)ccc1OC(F)F Clc1ccc(C[*:1])s1 COc1cc(ccc1OC(F)F)C(=O)N(C)[*:1]
COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)N(C)Cc1ccc(Cl)s1
COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)ccc1OC(F)F Clc1ccc(s1)[*:1] COc1cc(ccc1OC(F)F)C(=O)N(C)C[*:1]
COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)N(C)Cc1ccc(Cl)s1
O=C1OC(c2ccc(Br)o2)=N/C1=C/c1coc2ccc(Cl)cc2c1=O Brc1ccc(o1)[*:1] O=C1OC(=N/C1=C/c1coc2ccc(Cl)cc2c1=O)[*:1]
C=CCN(CC(=O)[O-])C(=O)N1CCC(CC)(CC)C1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)N1CCC(CC)(CC)C1
C=CCN(CC(=O)[O-])C(=O)N1CCC(CC)(CC)C1 O=C([O-])C[*:1] C=CCN(C(=O)N1CCC(CC)(CC)C1)[*:1]
C=CCN(CC(=O)[O-])C(=O)N1CCC(CC)(CC)C1 C=CC[*:1] CCC1(CC)CCN(C1)C(=O)N(CC(=O)[O-])[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1cccc(F)c1F C1CC[C@H](OC1)[*:1] CC(C)N(C[*:1])C(=O)c1cccc(F)c1F
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1cccc(F)c1F CC(C)[*:1] O=C(c1cccc(F)c1F)N(C[C@@H]1CCCCO1)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1cccc(F)c1F C1CC[C@@H](C[*:1])OC1 CC(C)N(C(=O)c1cccc(F)c1F)[*:1]
O=[N+]([O-])c1ccc(Sc2nnc3n2CCCCC3)nc1 O=[N+]([O-])[*:1] c1cc(ncc1[*:1])Sc1nnc2CCCCCn21
CSCCc1ccc(NC(=O)C(=O)NC2CCC(O)CC2)cc1 CSCC[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)NC1CCC(O)CC1
CSCCc1ccc(NC(=O)C(=O)NC2CCC(O)CC2)cc1 CSC[*:1] O=C(Nc1ccc(cc1)C[*:1])C(=O)NC1CCC(O)CC1
CSCCc1ccc(NC(=O)C(=O)NC2CCC(O)CC2)cc1 OC1CCC(CC1)[*:1] CSCCc1ccc(cc1)NC(=O)C(=O)N[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(cc1Cl)[N+](=O)[O-])[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 O=[N+]([O-])[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccc(cc1Cl)[*:1])c1cccs1
Cc1ccccc1[C@H](CC(=O)NCc1ccc(C#N)cc1)NC(N)=O NC(=O)N[*:1] Cc1ccccc1[C@H](CC(=O)NCc1ccc(C#N)cc1)[*:1]
Cc1ccccc1[C@H](CC(=O)NCc1ccc(C#N)cc1)NC(N)=O Cc1ccccc1[*:1] N#Cc1ccc(cc1)CNC(=O)C[C@H](NC(N)=O)[*:1]
Cc1ccccc1[C@H](CC(=O)NCc1ccc(C#N)cc1)NC(N)=O N#Cc1ccc(cc1)[*:1] Cc1ccccc1[C@H](CC(=O)NC[*:1])NC(N)=O
C/C(=N/NC(=O)C[n+]1ccccc1)c1ccc(-c2ccccc2)cc1 c1cc[n+](cc1)C[*:1] C/C(=N/NC(=O)[*:1])c1ccc(cc1)-c1ccccc1
C/C(=N/NC(=O)C[n+]1ccccc1)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C/C(=N/NC(=O)C[n+]1ccccc1)c1ccc(cc1)[*:1]
C/C(=N/NC(=O)C[n+]1ccccc1)c1ccc(-c2ccccc2)cc1 c1cc[n+](cc1)[*:1] C/C(=N/NC(=O)C[*:1])c1ccc(cc1)-c1ccccc1
C[C@@H](NC(=O)N(C)CCc1ccc(F)cc1)C(C)(C)C[NH+](C)C Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)N(C)CC[*:1])C(C)(C)C[NH+](C)C
Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2F)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2F)n1[*:1]
Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2F)n1-c1ccccc1 Cc1occc1[*:1] C[C@@H](Sc1nnc(n1-c1ccccc1)[*:1])C(=O)Nc1ccccc1F
Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2F)n1-c1ccccc1 O=C(Nc1ccccc1F)[*:1] Cc1occc1-c1nnc(S[C@H](C)[*:1])n1-c1ccccc1
Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2F)n1-c1ccccc1 Fc1ccccc1[*:1] Cc1occc1-c1nnc(S[C@H](C)C(=O)N[*:1])n1-c1ccccc1
Cn1cc(C(=O)NCCOc2ncc(Cl)cc2Cl)c(C(C)(C)C)n1 Clc1cnc(c(Cl)c1)[*:1] Cn1cc(C(=O)NCCO[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)NCCOc2ncc(Cl)cc2Cl)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)NCCOc2ncc(Cl)cc2Cl)c(n1)[*:1]
CC(C)c1ccc(C(=O)N2CCC(OCc3cccnc3)CC2)c(=O)n1C c1cncc(c1)[*:1] CC(C)c1ccc(C(=O)N2CCC(CC2)OC[*:1])c(=O)n1C
CC(C)c1ccc(C(=O)N2CCC(OCc3cccnc3)CC2)c(=O)n1C CC(C)[*:1] Cn1c(ccc(C(=O)N2CCC(CC2)OCc2cccnc2)c1=O)[*:1]
CC(C)c1ccc(C(=O)N2CCC(OCc3cccnc3)CC2)c(=O)n1C c1cncc(c1)C[*:1] CC(C)c1ccc(C(=O)N2CCC(CC2)O[*:1])c(=O)n1C
CC(C)c1ccc(C(=O)N2CCC(OCc3cccnc3)CC2)c(=O)n1C c1cncc(c1)CO[*:1] CC(C)c1ccc(C(=O)N2CCC(CC2)[*:1])c(=O)n1C
COc1ccccc1O[C@@H](C)CNC(=O)c1c(C)nn(C)c1OC COc1ccccc1[*:1] COc1c(C(=O)NC[C@H](C)O[*:1])c(C)nn1C
CSCCC(=O)N1CC[C@H]2CN(C(=O)c3cccnn3)C[C@H]21 c1cnnc(c1)[*:1] CSCCC(=O)N1CC[C@H]2CN(C[C@H]21)C(=O)[*:1]
CSCCC(=O)N1CC[C@H]2CN(C(=O)c3cccnn3)C[C@H]21 CSC[*:1] O=C(c1cccnn1)N1C[C@@H]2CCN(C(=O)C[*:1])[C@@H]2C1
CSCCC(=O)N1CC[C@H]2CN(C(=O)c3cccnn3)C[C@H]21 CSCC[*:1] O=C(c1cccnn1)N1C[C@@H]2CCN(C(=O)[*:1])[C@@H]2C1
CC(=O)Nc1nc(C(=O)N2CCC[NH+](C(C)C)CC2)cs1 CC(=O)N[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)c1csc(n1)[*:1]
CC(=O)Nc1nc(C(=O)N2CCC[NH+](C(C)C)CC2)cs1 CC(C)[*:1] CC(=O)Nc1nc(cs1)C(=O)N1CCC[NH+](CC1)[*:1]
COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)NCc4ccc(F)cc4)cnc23)c1 Fc1ccc(cc1)C[*:1] COc1cccc(c1)-c1cn(C)c2c(=O)n(cnc12)CC(=O)N[*:1]
COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)NCc4ccc(F)cc4)cnc23)c1 COc1cccc(c1)[*:1] Cn1cc(c2ncn(CC(=O)NCc3ccc(F)cc3)c(=O)c21)[*:1]
COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)NCc4ccc(F)cc4)cnc23)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)-c1cn(C)c2c(=O)n(cnc12)CC(=O)NC[*:1]
COc1ccc(-n2c(SCC(=O)[O-])nc3sc4c(c3c2=O)CCN(C)C4)cc1 O=C([O-])[*:1] COc1ccc(cc1)-n1c(nc2sc3CN(C)CCc3c2c1=O)SC[*:1]
COc1ccc(-n2c(SCC(=O)[O-])nc3sc4c(c3c2=O)CCN(C)C4)cc1 O=C([O-])C[*:1] COc1ccc(cc1)-n1c(nc2sc3CN(C)CCc3c2c1=O)S[*:1]
COc1ccc(-n2c(SCC(=O)[O-])nc3sc4c(c3c2=O)CCN(C)C4)cc1 COc1ccc(cc1)[*:1] CN1CCc2c(C1)sc1nc(SCC(=O)[O-])n(c(=O)c21)[*:1]
COc1ccc(-n2c(SCC(=O)[O-])nc3sc4c(c3c2=O)CCN(C)C4)cc1 O=C([O-])CS[*:1] COc1ccc(cc1)-n1c(nc2sc3CN(C)CCc3c2c1=O)[*:1]
COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c(OC)c1 Clc1ccccc1[*:1] COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])c(c1)OC
Cc1c(-c2nc(-c3cnccn3)no2)cnn1-c1cccc(Cl)c1 c1cnc(cn1)[*:1] Cc1c(cnn1-c1cccc(Cl)c1)-c1nc(no1)[*:1]
Cc1c(-c2nc(-c3cnccn3)no2)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(cnn1[*:1])-c1nc(no1)-c1cnccn1
COc1ccc(Cl)c(NC(=O)c2cnc(Cc3ccccc3)s2)c1 c1ccc(cc1)[*:1] COc1ccc(Cl)c(c1)NC(=O)c1cnc(C[*:1])s1
COc1ccc(Cl)c(NC(=O)c2cnc(Cc3ccccc3)s2)c1 c1ccc(cc1)C[*:1] COc1ccc(Cl)c(c1)NC(=O)c1cnc(s1)[*:1]
C[C@H](c1nccs1)N(C)C(=O)c1coc(COc2ccccc2F)n1 c1csc(n1)[*:1] C[C@H](N(C)C(=O)c1coc(COc2ccccc2F)n1)[*:1]
C[C@H](c1nccs1)N(C)C(=O)c1coc(COc2ccccc2F)n1 Fc1ccccc1O[*:1] C[C@H](c1nccs1)N(C)C(=O)c1coc(C[*:1])n1
C[C@H](c1nccs1)N(C)C(=O)c1coc(COc2ccccc2F)n1 Fc1ccccc1[*:1] C[C@H](c1nccs1)N(C)C(=O)c1coc(CO[*:1])n1
NC(=O)CSc1ccccc1NCc1cccc(C(=O)N2CCCCC2)c1 NC(=O)C[*:1] O=C(c1cccc(c1)CNc1ccccc1S[*:1])N1CCCCC1
NC(=O)CSc1ccccc1NCc1cccc(C(=O)N2CCCCC2)c1 NC(=O)CS[*:1] O=C(c1cccc(c1)CNc1ccccc1[*:1])N1CCCCC1
NC(=O)CSc1ccccc1NCc1cccc(C(=O)N2CCCCC2)c1 NC(=O)[*:1] O=C(c1cccc(c1)CNc1ccccc1SC[*:1])N1CCCCC1
NC(=O)CSc1ccccc1NCc1cccc(C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] NC(=O)CSc1ccccc1NCc1cccc(c1)[*:1]
Cc1ccc(C)c(C/C([O-])=N/S(=O)(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccc(C)c(c1)C/C([O-])=N/S(=O)(=O)[*:1]
CCOc1ncnc(N[C@@H](COC)C(C)C)c1N CCO[*:1] COC[C@H](Nc1ncnc(c1N)[*:1])C(C)C
CCOc1ncnc(N[C@@H](COC)C(C)C)c1N CC(C)[*:1] CCOc1ncnc(N[C@@H](COC)[*:1])c1N
CCOc1ncnc(N[C@@H](COC)C(C)C)c1N COC[*:1] CCOc1ncnc(N[C@@H](C(C)C)[*:1])c1N
Cn1nc(C(=O)N2CCc3ccc(NC(=O)c4ccccc4Cl)cc3C2)ccc1=O Cn1nc(ccc1=O)[*:1] O=C(Nc1ccc2CCN(Cc2c1)C(=O)[*:1])c1ccccc1Cl
Cn1nc(C(=O)N2CCc3ccc(NC(=O)c4ccccc4Cl)cc3C2)ccc1=O O=C(N[*:1])c1ccccc1Cl Cn1nc(ccc1=O)C(=O)N1CCc2ccc(cc2C1)[*:1]
Cn1nc(C(=O)N2CCc3ccc(NC(=O)c4ccccc4Cl)cc3C2)ccc1=O Clc1ccccc1[*:1] Cn1nc(ccc1=O)C(=O)N1CCc2ccc(cc2C1)NC(=O)[*:1]
CCN(C)S(=O)(=O)N[C@H](Cc1ccccc1)c1cccs1 c1ccc(cc1)C[*:1] CCN(C)S(=O)(=O)N[C@H](c1cccs1)[*:1]
CCN(C)S(=O)(=O)N[C@H](Cc1ccccc1)c1cccs1 c1csc(c1)[*:1] CCN(C)S(=O)(=O)N[C@H](Cc1ccccc1)[*:1]
CCN(C)S(=O)(=O)N[C@H](Cc1ccccc1)c1cccs1 c1ccc(cc1)[*:1] CCN(C)S(=O)(=O)N[C@H](C[*:1])c1cccs1
CN(CC(=O)NCCc1ccccn1)S(=O)(=O)c1ccc(F)cc1 c1ccc(nc1)[*:1] CN(CC(=O)NCC[*:1])S(=O)(=O)c1ccc(F)cc1
CN(CC(=O)NCCc1ccccn1)S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(CC(=O)NCCc1ccccn1)S(=O)(=O)[*:1]
CN(CC(=O)NCCc1ccccn1)S(=O)(=O)c1ccc(F)cc1 c1ccc(C[*:1])nc1 CN(CC(=O)NC[*:1])S(=O)(=O)c1ccc(F)cc1
CN(CC(=O)NCCc1ccccn1)S(=O)(=O)c1ccc(F)cc1 c1ccc(CC[*:1])nc1 CN(CC(=O)N[*:1])S(=O)(=O)c1ccc(F)cc1
CC[C@@H](C)[C@H](NC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)C(N)=O Cc1cccc(c1)[*:1] CC[C@@H](C)[C@H](NC(=O)C1CCC(=O)N(N=1)[*:1])C(N)=O
CC[C@@H](C)[C@H](NC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@H](NC(=O)C1CCC(=O)N(N=1)c1cccc(C)c1)[*:1]
CC[C@@H](C)[C@H](NC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)C(N)=O CC[C@@H](C)[*:1] Cc1cccc(c1)N1N=C(CCC1=O)C(=O)N[C@H](C(N)=O)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(C)n1-c1ccccc1C CCC[C@@H](C)NC(=O)[*:1] Cc1ccccc1-n1c(C)nnc1S[C@@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(C)n1-c1ccccc1C CCC[C@@H](C)[*:1] Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(C)n1-c1ccccc1C CCC[*:1] Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(C)n1-c1ccccc1C Cc1ccccc1[*:1] CCC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(C)n1[*:1]
COc1cccc(-c2nc(-c3ccc(=O)[nH]c3)no2)c1OC O=c1ccc(c[nH]1)[*:1] COc1cccc(-c2nc(no2)[*:1])c1OC
C[C@H]1CC[C@H](n2c(CCCl)nc3cnccc32)[C@H](C)C1 ClCC[*:1] C[C@H]1CC[C@@H]([C@H](C)C1)n1c(nc2cnccc21)[*:1]
CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 CC(C)(C)[*:1] CCCc1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)O[*:1])C1=O
CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 CCC[*:1] CC(C)(C)OC(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(cc1)[*:1]
CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 CC(C)(C)OC(=O)C[*:1] CCCc1ccc(cc1)[C@@]1(C)NC(=O)N(C1=O)[*:1]
CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 CC(C)(C)OC(=O)[*:1] CCCc1ccc(cc1)[C@@]1(C)NC(=O)N(C[*:1])C1=O
CCn1c(Cn2nnn(-c3ccccc3Cl)c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 CN(C)S(=O)(=O)[*:1] CCn1c(Cn2nnn(-c3ccccc3Cl)c2=O)nc2cc(ccc21)[*:1]
CCn1c(Cn2nnn(-c3ccccc3Cl)c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 Clc1ccccc1[*:1] CCn1c(Cn2nnn(c2=O)[*:1])nc2cc(ccc21)S(=O)(=O)N(C)C
Cc1ccc(S(=O)(=O)N2CC[C@@H](c3nnc(-c4ccc(C)nc4)o3)C2)cc1 Cc1ccc(cn1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)c1nnc(o1)[*:1]
Cc1ccc(S(=O)(=O)N2CC[C@@H](c3nnc(-c4ccc(C)nc4)o3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cn1)-c1nnc(o1)[C@@H]1CCN(C1)S(=O)(=O)[*:1]
O=c1c2ccsc2ncn1C[C@H](O)COc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=c1c2ccsc2ncn1C[C@H](O)CO[*:1]
CC(C)(C)c1cc(N)n(-c2cccc(C(F)(F)F)c2)n1 CC(C)(C)[*:1] Nc1cc(nn1-c1cccc(c1)C(F)(F)F)[*:1]
CC(C)(C)c1cc(N)n(-c2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] CC(C)(C)c1cc(N)n(n1)-c1cccc(c1)[*:1]
CC(C)c1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12 CN(C)S(=O)(=O)[*:1] CC(C)c1cccc2sc(nc12)N(C[C@@H]1CCCO1)C(=O)c1ccc(cc1)[*:1]
CC(C)c1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12 CC(C)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N(C[C@@H]1CCCO1)c1nc2c(cccc2s1)[*:1]
CC(C)(C)c1csc(CCNC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)n1 CC(C)(C)[*:1] O=C(NCCc1nc(cs1)[*:1])[C@H]1C[C@H]2CC[C@@H]1O2
CC(C)C[C@@H]1C[NH+]=C(N)N1c1ccc(Br)cc1 CC(C)C[*:1] NC1=[NH+]C[C@H](N1c1ccc(Br)cc1)[*:1]
CC(C)C[C@@H]1C[NH+]=C(N)N1c1ccc(Br)cc1 CC(C)[*:1] NC1=[NH+]C[C@@H](C[*:1])N1c1ccc(Br)cc1
Cc1cccc(C)c1NC(=O)C(=O)[C@@H](C(=N)c1ccccc1)c1ccccc1 N=C(c1ccccc1)[*:1] Cc1cccc(C)c1NC(=O)C(=O)[C@@H](c1ccccc1)[*:1]
Cc1cccc(C)c1NC(=O)C(=O)[C@@H](C(=N)c1ccccc1)c1ccccc1 Cc1cccc(C)c1[*:1] N=C(c1ccccc1)[C@H](C(=O)C(=O)N[*:1])c1ccccc1
Cc1cccc(C)c1NC(=O)C(=O)[C@@H](C(=N)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)C(=O)[C@@H](C(=N)[*:1])c1ccccc1
Cc1cccc(C)c1NC(=O)C(=O)[C@@H](C(=N)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)C(=O)[C@@H](C(=N)c1ccccc1)[*:1]
O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)C1(c3ccc(Cl)cc3)CC1)CC2 Clc1ccc(cc1)C1(CC1)[*:1] O=C(NCCc1ccccn1)[C@@H]1CC12CCN(CC2)C(=O)[*:1]
O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)C1(c3ccc(Cl)cc3)CC1)CC2 c1ccc(CC[*:1])nc1 O=C(N[*:1])[C@@H]1CC12CCN(CC2)C(=O)C1(CC1)c1ccc(Cl)cc1
O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)C1(c3ccc(Cl)cc3)CC1)CC2 c1ccc(C[*:1])nc1 O=C(NC[*:1])[C@@H]1CC12CCN(CC2)C(=O)C1(CC1)c1ccc(Cl)cc1
O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)C1(c3ccc(Cl)cc3)CC1)CC2 Clc1ccc(cc1)[*:1] O=C(NCCc1ccccn1)[C@@H]1CC12CCN(CC2)C(=O)C1(CC1)[*:1]
O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)C1(c3ccc(Cl)cc3)CC1)CC2 c1ccc(nc1)[*:1] O=C(NCC[*:1])[C@@H]1CC12CCN(CC2)C(=O)C1(CC1)c1ccc(Cl)cc1
COc1ccc(C(=O)/C=C\c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C=C[*:1]
C/[NH+]=C(/NCc1coc(-c2ccccc2)n1)N[C@@H]1CC[C@@H](SC)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCc1coc(n1)[*:1])N[C@@H]1CC[C@H](C1)SC
Cc1ccc(CNC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1-c1ccccc1Br)SCC(=O)NC[*:1]
Cc1ccc(CNC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 Brc1ccccc1[*:1] Cc1ccc(cc1)CNC(=O)CSc1nnc(n1N)[*:1]
Cc1ccc(CNC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 Cc1ccc(cc1)C[*:1] Nn1c(nnc1-c1ccccc1Br)SCC(=O)N[*:1]
Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=[NH+][C@@H]2c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(=O)n2c(n1)NC(=[NH+][C@H]2[*:1])N1CCc2ccccc21
CCn1ncc(CNc2ccccc2C(=O)[O-])c1C O=C([O-])[*:1] CCn1ncc(CNc2ccccc2[*:1])c1C
COc1cccc2cc(C(=O)Nc3ccc(O)cc3)c(=O)oc12 Oc1ccc(cc1)[*:1] COc1cccc2cc(C(=O)N[*:1])c(=O)oc12
COC(=O)[C@H](C)N(C(=O)COc1ccccc1C)C1CC1 COC(=O)[*:1] Cc1ccccc1OCC(=O)N(C1CC1)[C@@H](C)[*:1]
COC(=O)[C@H](C)N(C(=O)COc1ccccc1C)C1CC1 C1CC1[*:1] COC(=O)[C@H](C)N(C(=O)COc1ccccc1C)[*:1]
COC(=O)[C@H](C)N(C(=O)COc1ccccc1C)C1CC1 COC(=O)[C@H](C)[*:1] Cc1ccccc1OCC(=O)N(C1CC1)[*:1]
COC(=O)[C@H](C)N(C(=O)COc1ccccc1C)C1CC1 Cc1ccccc1[*:1] COC(=O)[C@H](C)N(C(=O)CO[*:1])C1CC1
CCOCCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)S/C1=N\c1ccccc1 CCOCC[*:1] COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C2=O)[*:1])cc1O
CCOCCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)S/C1=N\c1ccccc1 c1ccc(cc1)[*:1] CCOCCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)SC1=N[*:1]
CCOCCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)S/C1=N\c1ccccc1 CCOC[*:1] COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C[*:1])C2=O)cc1O
CCOCCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)S/C1=N\c1ccccc1 COc1ccc(cc1O)[*:1] CCOCCN1C(=O)C(=C[*:1])S/C1=N\c1ccccc1
CCOCCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)S/C1=N\c1ccccc1 CCO[*:1] COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CC[*:1])C2=O)cc1O
COc1ccc(NC(=O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)CC(=O)N1CCCC1)N[*:1]
COc1ccc(NC(=O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1 O=C(N1CCCC1)[*:1] COc1ccc(cc1)NC(=O)C[NH+]1CCN(CC1)C[*:1]
COc1ccc(NC(=O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1 O=C(C[*:1])N1CCCC1 COc1ccc(cc1)NC(=O)C[NH+]1CCN(CC1)[*:1]
CC(C)CS(=O)(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] CC(C)CS(=O)(=O)N(C)C[*:1]
CC(C)CS(=O)(=O)N(C)CC(C)(C)O CC(C)[*:1] CN(CC(C)(C)O)S(=O)(=O)C[*:1]
CC(C)CS(=O)(=O)N(C)CC(C)(C)O CC(C)C[*:1] CN(CC(C)(C)O)S(=O)(=O)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c1 O=C(N[*:1])c1ccccc1 CC(C)C(=O)Nc1cccc(c1)NC(=O)[C@@H](C(C)C)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c1 CC(C)[*:1] CC(C)C(=O)Nc1cccc(c1)NC(=O)[C@@H](NC(=O)c1ccccc1)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c1 CC(C)C(=O)N[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c1 CC(C)[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)NC(=O)[*:1]
CC(C)C(=O)Nc1cccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] CC(C)C(=O)Nc1cccc(c1)NC(=O)[C@@H](NC(=O)[*:1])C(C)C
CCOC(=O)[C@H](C)Sc1nc2c(c(=O)n1-c1cc(C)cc(C)c1)SCC2 CCOC(=O)[*:1] Cc1cc(C)cc(c1)-n1c(nc2CCSc2c1=O)S[C@@H](C)[*:1]
CCOC(=O)[C@H](C)Sc1nc2c(c(=O)n1-c1cc(C)cc(C)c1)SCC2 CCOC(=O)[C@H](C)S[*:1] Cc1cc(C)cc(c1)-n1c(nc2CCSc2c1=O)[*:1]
CCOC(=O)[C@H](C)Sc1nc2c(c(=O)n1-c1cc(C)cc(C)c1)SCC2 CCOC(=O)[C@H](C)[*:1] Cc1cc(C)cc(c1)-n1c(nc2CCSc2c1=O)S[*:1]
CCOC(=O)[C@H](C)Sc1nc2c(c(=O)n1-c1cc(C)cc(C)c1)SCC2 Cc1cc(C)cc(c1)[*:1] CCOC(=O)[C@H](C)Sc1nc2CCSc2c(=O)n1[*:1]
Cc1c([C@@H](C)NC(=O)c2ccc[nH]c2=O)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC(=O)c1ccc[nH]c1=O
Cc1c([C@@H](C)NC(=O)c2ccc[nH]c2=O)cnn1-c1ccc(F)cc1 O=c1[nH]cccc1[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NC(=O)[*:1]
CC[C@H]1CCCCN1S(=O)(=O)c1ccc2oc(C(=O)[O-])c(C)c2c1 O=C([O-])[*:1] CC[C@H]1CCCCN1S(=O)(=O)c1ccc2oc(c(C)c2c1)[*:1]
COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1[*:1] COC(=O)c1cccc(c1)-n1nnnc1SCC(=O)N[*:1]
COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 COC(=O)[*:1] O=C(CSc1nnnn1-c1cccc(c1)[*:1])Nc1ccc2OCOc2c1
Cc1ccc(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])NC1CCN(CC1)C(=O)C1CCCCC1
Cc1ccc(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(C1CCCCC1)N1CCC(CC1)NC(=O)[*:1]
Cc1ccc(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)CC(=O)NC1CCN(CC1)C(=O)[*:1]
C[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)c1ccncc1 O=C1CCCN1[*:1] C[C@H](NC(=O)c1cc(ccc1Cl)[*:1])c1ccncc1
C[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)c1ccncc1 C[C@H](c1ccncc1)[*:1] O=C(N[*:1])c1cc(ccc1Cl)N1CCCC1=O
C[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
c1ccc(-c2nnc(C[NH2+]C3CCCCC3)o2)cc1 C1CCC(CC1)[*:1] c1ccc(cc1)-c1nnc(C[NH2+][*:1])o1
c1ccc(-c2nnc(C[NH2+]C3CCCCC3)o2)cc1 c1ccc(cc1)[*:1] C1CCC(CC1)[NH2+]Cc1nnc(o1)[*:1]
CSc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 NC(=O)[*:1] CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
O=C(NC[C@@](O)(c1ccccc1)C1CC1)C(=O)NC1CCCC1 C1CC1[*:1] O=C(NC[C@@](O)(c1ccccc1)[*:1])C(=O)NC1CCCC1
O=C(NC[C@@](O)(c1ccccc1)C1CC1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(NC[C@@](O)(c1ccccc1)C1CC1)C(=O)N[*:1]
O=C(NC[C@@](O)(c1ccccc1)C1CC1)C(=O)NC1CCCC1 c1ccc(cc1)[*:1] O=C(NC[C@@](O)(C1CC1)[*:1])C(=O)NC1CCCC1
O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)c1ccc(F)c(F)c1 Fc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)CSC[*:1])c1ccc(F)c(F)c1
O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(Nc1nc(cs1)CSCc1ccc(F)cc1)[*:1]
O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)c1ccc(F)c(F)c1 Fc1ccc(cc1)C[*:1] O=C(Nc1nc(cs1)CS[*:1])c1ccc(F)c(F)c1
C[C@](O)(CNC(=O)NCc1cccc(C(F)(F)F)c1)c1ccco1 c1coc(c1)[*:1] C[C@](O)(CNC(=O)NCc1cccc(c1)C(F)(F)F)[*:1]
C[C@](O)(CNC(=O)NCc1cccc(C(F)(F)F)c1)c1ccco1 FC(F)(F)[*:1] C[C@](O)(CNC(=O)NCc1cccc(c1)[*:1])c1ccco1
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)C[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCC1)N[*:1]
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@@H]1CCS(=O)(=O)C1 C1CCN(CC1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])NC[C@@H]1CCS(=O)(=O)C1
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCC1)NC[*:1]
CSc1cccc(NC(=O)c2coc(NC(=O)c3ccco3)n2)c1 CSc1cccc(c1)[*:1] O=C(N[*:1])c1coc(n1)NC(=O)c1ccco1
CSc1cccc(NC(=O)c2coc(NC(=O)c3ccco3)n2)c1 O=C(N[*:1])c1ccco1 CSc1cccc(c1)NC(=O)c1coc(n1)[*:1]
CSc1cccc(NC(=O)c2coc(NC(=O)c3ccco3)n2)c1 c1coc(c1)[*:1] CSc1cccc(c1)NC(=O)c1coc(n1)NC(=O)[*:1]
COCCCn1cnnc1S(=O)(=O)[C@@H](C)c1cccc(C)c1 COCCC[*:1] Cc1cccc(c1)[C@H](C)S(=O)(=O)c1nncn1[*:1]
COCCCn1cnnc1S(=O)(=O)[C@@H](C)c1cccc(C)c1 COC[*:1] Cc1cccc(c1)[C@H](C)S(=O)(=O)c1nncn1CC[*:1]
COCCCn1cnnc1S(=O)(=O)[C@@H](C)c1cccc(C)c1 COCC[*:1] Cc1cccc(c1)[C@H](C)S(=O)(=O)c1nncn1C[*:1]
COCCCn1cnnc1S(=O)(=O)[C@@H](C)c1cccc(C)c1 Cc1cccc(c1)[*:1] COCCCn1cnnc1S(=O)(=O)[C@@H](C)[*:1]
C/C(=C\C(=O)NNC(=O)c1ccc(Br)s1)C(C)(C)C Brc1ccc(s1)[*:1] C/C(=C\C(=O)NNC(=O)[*:1])C(C)(C)C
C/C(=C\C(=O)NNC(=O)c1ccc(Br)s1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)NNC(=O)c1ccc(Br)s1)[*:1]
Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1C Fc1ccc(F)c(c1)[*:1] Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](O)C[C@@H]2[*:1])c1C
COCCn1nc(/C([O-])=N/S(=O)(=O)Cc2ccc(C#N)cc2)ccc1=O COC[*:1] N#Cc1ccc(cc1)CS(=O)(=O)/N=C(\[O-])c1ccc(=O)n(C[*:1])n1
COCCn1nc(/C([O-])=N/S(=O)(=O)Cc2ccc(C#N)cc2)ccc1=O N#Cc1ccc(cc1)[*:1] COCCn1nc(ccc1=O)/C([O-])=N/S(=O)(=O)C[*:1]
COCCn1nc(/C([O-])=N/S(=O)(=O)Cc2ccc(C#N)cc2)ccc1=O COCC[*:1] N#Cc1ccc(cc1)CS(=O)(=O)/N=C(\[O-])c1ccc(=O)n(n1)[*:1]
CCN(CC)c1ncnc2c1cnn2CC(=O)Nc1cccc(C)c1C Cc1cccc(c1C)[*:1] CCN(CC)c1ncnc2c1cnn2CC(=O)N[*:1]
CCN(CC)c1ncnc2c1cnn2CC(=O)Nc1cccc(C)c1C CCN(CC)[*:1] Cc1cccc(NC(=O)Cn2ncc3c(ncnc32)[*:1])c1C
Cc1ccc(C(=O)NC(C)(C)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)NC(C)(C)c1ccc2OCCOc2c1
Cc1ccc(C(=O)NC(C)(C)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCCC1 c1cc2OCCOc2cc1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)NC(C)(C)[*:1]
O=[S@@](Cc1ccc(F)cc1)Cc1nnc(-c2ccccc2F)o1 Fc1ccc(cc1)[*:1] O=[S@](Cc1nnc(o1)-c1ccccc1F)C[*:1]
O=[S@@](Cc1ccc(F)cc1)Cc1nnc(-c2ccccc2F)o1 Fc1ccccc1[*:1] O=[S@@](Cc1ccc(F)cc1)Cc1nnc(o1)[*:1]
COc1ccc2sc(OC3CCN(C(=O)c4cc(-c5ccco5)n[nH]4)CC3)nc2c1 c1coc(c1)-c1cc([nH]n1)[*:1] COc1ccc2sc(nc2c1)OC1CCN(CC1)C(=O)[*:1]
COc1ccc2sc(OC3CCN(C(=O)c4cc(-c5ccco5)n[nH]4)CC3)nc2c1 c1coc(c1)[*:1] COc1ccc2sc(nc2c1)OC1CCN(CC1)C(=O)c1cc(n[nH]1)[*:1]
CCOc1ccc(OCC)c(NC(=O)c2cccc(Cl)c2Cl)c1 CCO[*:1] CCOc1ccc(c(c1)NC(=O)c1cccc(Cl)c1Cl)[*:1]
CCOc1ccc(OCC)c(NC(=O)c2cccc(Cl)c2Cl)c1 CCO[*:1] CCOc1ccc(cc1NC(=O)c1cccc(Cl)c1Cl)[*:1]
O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CN2CCOC2=S)CC1 S=C1OCCN1[*:1] O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CC1)C[*:1]
O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CN2CCOC2=S)CC1 Clc1ccc(cc1Cl)[*:1] O=S(=O)(N1CCN(CC1)CN1CCOC1=S)[*:1]
O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CN2CCOC2=S)CC1 S=C1OCCN1C[*:1] O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CC1)[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(C(=O)N(C)C)cc1 COc1ccccc1[*:1] CN(C)C(=O)c1ccc(cc1)CNC(=O)N1CCC[C@@H]1[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] COc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(cc1)[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C)cc1 Cc1cccc(C)c1[*:1] CCC(CC)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C)cc1 CCC(CC)[*:1] Cc1cccc(C)c1NC(=O)c1ccc(cc1)NC(=O)[*:1]
CCC(CC)C(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C)cc1 CCC(CC)C(=O)N[*:1] Cc1cccc(C)c1NC(=O)c1ccc(cc1)[*:1]
O=C1C[C@H](c2ccc(F)c(Br)c2)[C@@H]2C(=O)N=C(SCc3ccccc3)N=C2N1 c1ccc(cc1)C[*:1] O=C1C[C@H](c2ccc(F)c(Br)c2)[C@@H]2C(=O)N=C(N=C2N1)S[*:1]
O=C1C[C@H](c2ccc(F)c(Br)c2)[C@@H]2C(=O)N=C(SCc3ccccc3)N=C2N1 c1ccc(cc1)[*:1] O=C1C[C@H](c2ccc(F)c(Br)c2)[C@@H]2C(=O)N=C(N=C2N1)SC[*:1]
O=C1C[C@H](c2ccc(F)c(Br)c2)[C@@H]2C(=O)N=C(SCc3ccccc3)N=C2N1 Fc1ccc(cc1Br)[*:1] O=C1C[C@H]([C@@H]2C(=O)N=C(N=C2N1)SCc1ccccc1)[*:1]
CCCNC(=O)[C@@H](C)SCc1nc(-c2ccsc2)no1 CCC[*:1] C[C@@H](SCc1nc(no1)-c1ccsc1)C(=O)N[*:1]
CCCNC(=O)[C@@H](C)SCc1nc(-c2ccsc2)no1 CCCNC(=O)[*:1] C[C@@H](SCc1nc(no1)-c1ccsc1)[*:1]
CCCNC(=O)[C@@H](C)SCc1nc(-c2ccsc2)no1 c1cc(cs1)[*:1] CCCNC(=O)[C@@H](C)SCc1nc(no1)[*:1]
Cc1cc(=O)n(CC(=O)Nc2nc(C)n(C)n2)c2ccccc12 Cc1nc(nn1C)[*:1] Cc1cc(=O)n(CC(=O)N[*:1])c2ccccc12
CCC[C@H](NCc1nncn1C1CC1)c1ccc(Cl)c(Cl)c1 CCC[*:1] Clc1ccc(cc1Cl)[C@@H](NCc1nncn1C1CC1)[*:1]
CCC[C@H](NCc1nncn1C1CC1)c1ccc(Cl)c(Cl)c1 C1CC1[*:1] CCC[C@H](NCc1nncn1[*:1])c1ccc(Cl)c(Cl)c1
CCc1[nH+]ccn1CCN1CCN(C(=O)c2cccnc2OC)CC1 COc1ncccc1[*:1] CCc1[nH+]ccn1CCN1CCN(CC1)C(=O)[*:1]
CCc1nc(C)c(C(=O)Nc2ccc(Oc3cnccn3)cc2)s1 CCc1nc(C)c(s1)[*:1] O=C(Nc1ccc(cc1)Oc1cnccn1)[*:1]
CCc1nc(C)c(C(=O)Nc2ccc(Oc3cnccn3)cc2)s1 c1cnc(cn1)O[*:1] CCc1nc(C)c(s1)C(=O)Nc1ccc(cc1)[*:1]
CCc1nc(C)c(C(=O)Nc2ccc(Oc3cnccn3)cc2)s1 c1cnc(cn1)[*:1] CCc1nc(C)c(s1)C(=O)Nc1ccc(cc1)O[*:1]
CC1(C)CC(=O)C=C(/C=N/c2cc(-c3ccccc3)n[nH]2)C1 c1ccc(cc1)[*:1] CC1(C)CC(=O)C=C(/C=N/c2cc(n[nH]2)[*:1])C1
Cc1cccn2c(=O)c(C(=O)NC[C@@H](C)CN3CCOCC3)cnc12 C1CN(CCO1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NC[C@@H](C)C[*:1]
Cc1cccn2c(=O)c(C(=O)NC[C@@H](C)CN3CCOCC3)cnc12 C1CN(CCO1)C[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NC[C@@H](C)[*:1]
CCCc1c(C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)[nH]c(C)c1C(C)=O CCC[*:1] CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(cc2)N2CCCC2=O)c1[*:1]
CCCc1c(C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCCc1c([nH]c(C)c1[*:1])C(=O)N[C@@H](C)c1ccc(cc1)N1CCCC1=O
CCCc1c(C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)[nH]c(C)c1C(C)=O O=C1CCCN1[*:1] CCCc1c([nH]c(C)c1C(C)=O)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
NC(=O)c1ccc(N2CCC[C@H]2[C@@H]2CCC[NH2+]2)nn1 NC(=O)[*:1] c1cc(nnc1N1CCC[C@H]1[C@@H]1CCC[NH2+]1)[*:1]
COc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3OC)CC2)c1 COc1ccccc1[*:1] COc1cccc(c1)N1CC[NH+](CC1)[C@@H](C)C(=O)N[*:1]
COc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3OC)CC2)c1 COc1cccc(c1)[*:1] COc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(CC1)[*:1]
Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1c1nccs1 c1csc(n1)[*:1] Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1[*:1]
Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1c1nccs1 Cc1noc(C)c1[*:1] O=C(CC[*:1])N1CCCC[C@@H]1c1nccs1
Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc1 C[C@H](O)[*:1] Cc1ccc(cc1)[C@H]1C[C@H](n2ncc(C(=O)Nc3ccc(cc3)[*:1])c2N1)C(F)(F)F
Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O)c1ccc(cc1)NC(=O)c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)[*:1]
Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@H]1C[C@@H](n2ncc(C(=O)Nc3ccc(cc3)[C@H](C)O)c2N1)[*:1]
Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc1 C[C@H](O)c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H]1C[C@H](n2ncc(C(=O)N[*:1])c2N1)C(F)(F)F
Cc1cc(CSc2nnc(Cc3csc(C)n3)o2)no1 Cc1cc(no1)[*:1] Cc1nc(cs1)Cc1nnc(o1)SC[*:1]
Cc1cc(CSc2nnc(Cc3csc(C)n3)o2)no1 Cc1nc(cs1)[*:1] Cc1cc(CSc2nnc(C[*:1])o2)no1
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] COc1cc(ccc1NC(=O)[C@@H]1CC(=O)N(CC[*:1])C1)[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] COc1cc(ccc1NC(=O)[C@@H]1CC(=O)N(C1)C[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 O=[N+]([O-])[*:1] COc1cc(ccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)[*:1]
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 Fc1ccc(cc1)CC[*:1] COc1cc(ccc1NC(=O)[C@@H]1CC(=O)N(C1)[*:1])[N+](=O)[O-]
CCCC[NH2+][C@@H]1CSCC(C)(C)C1 CCCC[*:1] CC1(C)CSC[C@H](C1)[NH2+][*:1]
CCCC[NH2+][C@@H]1CSCC(C)(C)C1 CCC[*:1] CC1(C)CSC[C@H](C1)[NH2+]C[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCN(CC1)Cc1ccc(C#N)cc1)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)C N#Cc1ccc(cc1)C[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCN(CC1)[*:1])C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)C N#Cc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCN(CC1)C[*:1])C(C)C
Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)C Cc1ccccc1C(=O)N[*:1] CC(C)[C@@H](C(=O)N1CCCN(CC1)Cc1ccc(C#N)cc1)[*:1]
Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCCN(CC1)Cc1ccc(C#N)cc1
Cc1nc2cc(C(=O)OCC(=O)Nc3ccc(F)c(F)c3)ccc2n1-c1ccccc1 Fc1ccc(cc1F)[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)OCC(=O)N[*:1]
Cc1nc2cc(C(=O)OCC(=O)Nc3ccc(F)c(F)c3)ccc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2cc(ccc2n1[*:1])C(=O)OCC(=O)Nc1ccc(F)c(F)c1
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1OCc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] COc1cc(ccc1O[*:1])[C@H]1C2C(=O)CC(C)(C)CC=2Nc2ncnn21
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1OCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1cc(ccc1OC[*:1])[C@H]1C2C(=O)CC(C)(C)CC=2Nc2ncnn21
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1OCc1cccc(Cl)c1 Clc1cccc(c1)CO[*:1] COc1cc(ccc1[*:1])[C@H]1C2C(=O)CC(C)(C)CC=2Nc2ncnn21
CCn1nc(C(=O)NNC(=O)c2ccc(Br)o2)c2ccccc2c1=O Brc1ccc(o1)[*:1] CCn1nc(C(=O)NNC(=O)[*:1])c2ccccc2c1=O
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2Br)C1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCCN(C1)C(=O)c1ccccc1Br)O[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2Br)C1 CC(C)(C)OC(=O)N[*:1] O=C(c1ccccc1Br)N1CCC[C@H](C1)C[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2Br)C1 Brc1ccccc1[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)[*:1]
C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O Fc1ccc(cc1F)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCN(CC2)c2ccccc2)C1=O)[*:1]
C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCN(CC2)[*:1])C1=O)c1ccc(F)c(F)c1
COc1ccc([C@H]([NH3+])CCC2CCCC2)cc1C C1CCC(C1)[*:1] COc1ccc(cc1C)[C@H]([NH3+])CC[*:1]
COc1ccc([C@H]([NH3+])CCC2CCCC2)cc1C C1CCC(C1)C[*:1] COc1ccc(cc1C)[C@H]([NH3+])C[*:1]
CN(C(=O)C[NH+]1CCSC(C)(C)C1)C1CC1 C1CC1[*:1] CN(C(=O)C[NH+]1CCSC(C)(C)C1)[*:1]
CN(C(=O)c1ccncc1C#CC[NH3+])C1CC1 C1CC1[*:1] CN(C(=O)c1ccncc1C#CC[NH3+])[*:1]
COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)C(=O)N[C@H](C)c1nc(no1)[*:1]
COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1-c1noc(n1)[C@@H](C)NC(=O)[*:1]
CC(=O)N(C)c1cccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)C[NH+]1CCCC1
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)/C(C#N)=C/c3ccco3)CC2)cc1 CC(C)[*:1] N#C/C(=C\c1ccco1)C(=O)N1CCC(CC1)C(=O)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)/C(C#N)=C/c3ccco3)CC2)cc1 N#CC(=Cc1ccco1)[*:1] CC(C)Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)/C(C#N)=C/c3ccco3)CC2)cc1 CC(C)C[*:1] N#C/C(=C\c1ccco1)C(=O)N1CCC(CC1)C(=O)c1ccc(cc1)[*:1]
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)/C(C#N)=C/c3ccco3)CC2)cc1 c1coc(c1)[*:1] CC(C)Cc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)C(C#N)=C[*:1]
O=C(Cn1c(-c2ccccc2)cc2ccccc21)N=c1[nH]cc[nH]1 c1ccc(cc1)[*:1] O=C(Cn1c(cc2ccccc21)[*:1])N=c1[nH]cc[nH]1
CSCC[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](O)C1 CSC[*:1] C[C@@H](C[*:1])NC(=O)N1CC[C@@H](C)[C@@H](O)C1
CSCC[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](O)C1 CSCC[*:1] C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](O)C1)[*:1]
CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)[C@@H]1COCCO1)C2 C1CO[C@@H](CO1)[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)[*:1]
COc1ccc(OC[C@H](O)CNC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H](O)CO[*:1])C1=Cc2cc(Cl)ccc2OC1
COc1ccc(OC[C@H](O)CNC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 COc1ccc(cc1)O[*:1] O=C(NC[C@@H](O)C[*:1])C1=Cc2cc(Cl)ccc2OC1
CC[C@H](Sc1ccncc1)[C@H]([NH3+])c1ccccc1 c1cc(ccn1)[*:1] CC[C@H](S[*:1])[C@H]([NH3+])c1ccccc1
CC[C@H](Sc1ccncc1)[C@H]([NH3+])c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](Sc1ccncc1)[C@H]([NH3+])[*:1]
C[C@@H](NC[C@@H]1C=NN=C1c1ccc(F)cc1)c1nc2ccccc2[nH]1 Fc1ccc(cc1)[*:1] C[C@@H](NC[C@@H]1C=NN=C1[*:1])c1nc2ccccc2[nH]1
CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1)[C@H]2C(=O)[O-] O=C([O-])[*:1] CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1)[C@@H]2[*:1]
CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1)[C@H]2C(=O)[O-] Cc1cc(cc(C)c1Cl)O[*:1] CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)C[*:1])[C@H]2C(=O)[O-]
CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1)[C@H]2C(=O)[O-] Cc1cc(cc(C)c1Cl)[*:1] CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)CO[*:1])[C@H]2C(=O)[O-]
CC/C=C(/C)C(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 CCC=C(C)[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)[*:1]
O=C(c1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1ccc(F)c(F)c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 Fc1ccc(cc1F)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccs1)[*:1]
Cc1cccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)c1 c1ccn(c1)[*:1] Cc1cccc(c1)C(=O)NNC(=O)c1ccccc1[*:1]
Cc1cccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)c1 Cc1cccc(c1)[*:1] O=C(NNC(=O)[*:1])c1ccccc1-n1cccc1
C[C@H](O)c1ccn(CC(=O)Nc2cccc(Br)c2)c1 C[C@H](O)[*:1] O=C(Cn1ccc(c1)[*:1])Nc1cccc(Br)c1
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)c1C CC(=O)c1c(C)[nH]c(c1C)[*:1] C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)c1C C1CCC(CC1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)c1C c1coc(c1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(n2C2CCCCC2)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)c(C)c1[*:1]
Cc1nc([C@@H]2CCCN(C(=O)N[C@@H]3CCc4ccccc4C3)C2)no1 Cc1nc(no1)[*:1] O=C(N[C@@H]1CCc2ccccc2C1)N1CCC[C@H](C1)[*:1]
C=C(C)C[C@@H]([NH2+]C)c1ccc(F)c(C)c1 C=C(C)[*:1] C[NH2+][C@H](C[*:1])c1ccc(F)c(C)c1
C=C(C)C[C@@H]([NH2+]C)c1ccc(F)c(C)c1 C=C(C)C[*:1] C[NH2+][C@@H](c1ccc(F)c(C)c1)[*:1]
O=C(C1CC1)N1CCC[C@@H](CNc2ccnc(C(F)(F)F)n2)C1 C1CC1[*:1] O=C(N1CCC[C@@H](CNc2ccnc(n2)C(F)(F)F)C1)[*:1]
O=C(C1CC1)N1CCC[C@@H](CNc2ccnc(C(F)(F)F)n2)C1 FC(F)(F)[*:1] O=C(C1CC1)N1CCC[C@@H](CNc2ccnc(n2)[*:1])C1
CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1 CCS(=O)(=O)[*:1] O=C(Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1cccc(c1)[*:1]
CN(Cc1ccco1)C(=O)CNc1cc(Cl)cc(Cl)c1 c1coc(c1)C[*:1] CN(C(=O)CNc1cc(Cl)cc(Cl)c1)[*:1]
CN(Cc1ccco1)C(=O)CNc1cc(Cl)cc(Cl)c1 c1coc(c1)[*:1] CN(C[*:1])C(=O)CNc1cc(Cl)cc(Cl)c1
CCCN(CC1CC1)C(=O)[C@H](C)S(=O)(=O)c1ccc2ccccc2n1 C1CC1[*:1] CCCN(C[*:1])C(=O)[C@H](C)S(=O)(=O)c1ccc2ccccc2n1
CCCN(CC1CC1)C(=O)[C@H](C)S(=O)(=O)c1ccc2ccccc2n1 CCC[*:1] C[C@@H](C(=O)N(CC1CC1)[*:1])S(=O)(=O)c1ccc2ccccc2n1
CCCN(CC1CC1)C(=O)[C@H](C)S(=O)(=O)c1ccc2ccccc2n1 C1CC1C[*:1] CCCN(C(=O)[C@H](C)S(=O)(=O)c1ccc2ccccc2n1)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)Cc2cccc(OCC#N)c2)C12CCC2 N#CCO[*:1] CCO[C@@H]1C[C@@H](NC(=O)Cc2cccc(c2)[*:1])C12CCC2
CCO[C@@H]1C[C@@H](NC(=O)Cc2cccc(OCC#N)c2)C12CCC2 N#CC[*:1] CCO[C@@H]1C[C@@H](NC(=O)Cc2cccc(c2)O[*:1])C12CCC2
CCO[C@@H]1C[C@@H](NC(=O)Cc2cccc(OCC#N)c2)C12CCC2 CCO[*:1] N#CCOc1cccc(c1)CC(=O)N[C@@H]1C[C@H](C12CCC2)[*:1]
CC[C@@H](C)NC(=O)c1csc(COc2ccccc2C(C)C)n1 CC[C@@H](C)NC(=O)[*:1] CC(C)c1ccccc1OCc1nc(cs1)[*:1]
CC[C@@H](C)NC(=O)c1csc(COc2ccccc2C(C)C)n1 CC[C@@H](C)[*:1] CC(C)c1ccccc1OCc1nc(cs1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1csc(COc2ccccc2C(C)C)n1 CC(C)[*:1] CC[C@@H](C)NC(=O)c1csc(COc2ccccc2[*:1])n1
Cc1c(NC(=O)Cn2nnc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)Cn2nnc3ccccc3c2=O)c(=O)n(n1C)[*:1]
CCOC(=O)N1CCC([NH2+][C@@H](C)c2ncnn2CC)CC1 CCn1ncnc1[*:1] CCOC(=O)N1CCC(CC1)[NH2+][C@@H](C)[*:1]
C[C@H](NCCc1nc2c(F)cccc2n1C)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] C[C@H](NCCc1nc2c(F)cccc2n1C)[*:1]
CCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)c2ccncc2)cc1 CCO[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)c1ccncc1)c1ccc(cc1)[*:1]
CCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] CCOc1ccc(cc1)N(Cc1cc2cc(ccc2[nH]c1=O)OC)C(=O)[*:1]
CCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)c2ccncc2)cc1 CCOc1ccc(cc1)[*:1] COc1ccc2[nH]c(=O)c(cc2c1)CN(C(=O)c1ccncc1)[*:1]
CC(C)[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)[*:1]
CC(C)[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] Clc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C(=C[*:1])NC(=O)c1ccco1)C(=O)[O-]
CC(C)[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] CC(C)[*:1] O=C(N[C@H](C(=O)[O-])[*:1])/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1
CC(C)[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] O=C(N[*:1])c1ccco1 CC(C)[C@H](NC(=O)C(=Cc1ccc(Cl)cc1)[*:1])C(=O)[O-]
CC(C)[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-] c1coc(c1)[*:1] CC(C)[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)[*:1])C(=O)[O-]
CC(C)(C)C(=O)Nc1ncccc1O CC(C)(C)[*:1] O=C(Nc1ncccc1O)[*:1]
CN(Cc1ccncc1)C(=O)NCCC(c1ccccc1)c1ccccc1 c1cc(ccn1)[*:1] CN(C[*:1])C(=O)NCCC(c1ccccc1)c1ccccc1
CN(Cc1ccncc1)C(=O)NCCC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1ccncc1)C(=O)NCCC(c1ccccc1)[*:1]
CN(Cc1ccncc1)C(=O)NCCC(c1ccccc1)c1ccccc1 c1cc(ccn1)C[*:1] CN(C(=O)NCCC(c1ccccc1)c1ccccc1)[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@H](C)CC1 CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)N1CCC[C@H](C)CC1)[*:1]
O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1cccs1 O=C(C[*:1])c1cccs1 O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1[*:1]
O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1cccs1 c1csc(c1)[*:1] O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CC(=O)[*:1]
O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1cccs1 O=C(c1cccs1)[*:1] O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1C[*:1]
CC(C)c1nc(N2CC[NH+](C(C)C)CC2)sc1C[NH3+] CC(C)[*:1] CC(C)[NH+]1CCN(CC1)c1nc(c(C[NH3+])s1)[*:1]
CC(C)c1nc(N2CC[NH+](C(C)C)CC2)sc1C[NH3+] CC(C)[*:1] CC(C)c1nc(sc1C[NH3+])N1CC[NH+](CC1)[*:1]
CCCNc1cccc(Cc2nccn2CCC)[nH+]1 CCC[*:1] CCCn1ccnc1Cc1cccc(N[*:1])[nH+]1
CCCNc1cccc(Cc2nccn2CCC)[nH+]1 CCC[*:1] CCCNc1cccc(Cc2nccn2[*:1])[nH+]1
CCCNc1cccc(Cc2nccn2CCC)[nH+]1 CCCN[*:1] CCCn1ccnc1Cc1cccc([nH+]1)[*:1]
CCN(CCC(=O)[O-])C(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1 O=C([O-])[*:1] CCN(CC[*:1])C(=O)N1C[C@H](C)[C@H](C1)C(=O)OC
CCN(CCC(=O)[O-])C(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1 O=C([O-])C[*:1] CCN(C[*:1])C(=O)N1C[C@H](C)[C@H](C1)C(=O)OC
CCN(CCC(=O)[O-])C(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1 O=C([O-])CC[*:1] CCN(C(=O)N1C[C@H](C)[C@H](C1)C(=O)OC)[*:1]
CCN(CCC(=O)[O-])C(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1 COC(=O)[*:1] CCN(CCC(=O)[O-])C(=O)N1C[C@H](C)[C@@H](C1)[*:1]
CCSc1nc2nccc(-c3ccncc3)n2n1 c1cc(ccn1)[*:1] CCSc1nc2nccc(n2n1)[*:1]
CCSc1nc2nccc(-c3ccncc3)n2n1 CCS[*:1] c1cc(ccn1)-c1ccnc2nc(nn12)[*:1]
CC1CCC(N(C)C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1 CC1CCC(CC1)[*:1] CN(C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)[*:1]
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC(C)(C)c1cccs1 CC(C)(c1cccs1)[*:1] CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[*:1]
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC(C)(C)c1cccs1 CCC[*:1] CC(C)(CNC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1])c1cccs1
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC(C)(C)c1cccs1 c1csc(c1)[*:1] CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC(C)(C)[*:1]
Cc1ccccc1NC(=O)Nc1nnc(COc2ccccc2Cl)s1 Clc1ccccc1[*:1] Cc1ccccc1NC(=O)Nc1nnc(CO[*:1])s1
Cc1ccccc1NC(=O)Nc1nnc(COc2ccccc2Cl)s1 Cc1ccccc1[*:1] O=C(Nc1nnc(COc2ccccc2Cl)s1)N[*:1]
Cc1ccccc1NC(=O)Nc1nnc(COc2ccccc2Cl)s1 Clc1ccccc1O[*:1] Cc1ccccc1NC(=O)Nc1nnc(C[*:1])s1
CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(CCc1ccccc1)C2=O c1ccc(cc1)[*:1] CN1C(=O)N[C@H](C2C(=O)N(CCc3ccccc3)CC=21)[*:1]
CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(CCc1ccccc1)C2=O c1ccc(cc1)[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC[*:1])CC=21)c1ccccc1
CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(CCc1ccccc1)C2=O c1ccc(cc1)C[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC=21)C[*:1])c1ccccc1
CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(CCc1ccccc1)C2=O c1ccc(cc1)CC[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC=21)[*:1])c1ccccc1
C[C@@](COc1ccccc1)(NC(=O)CN1CSCC1=O)C(=O)[O-] O=C1CSCN1C[*:1] C[C@@](COc1ccccc1)(NC(=O)[*:1])C(=O)[O-]
C[C@@](COc1ccccc1)(NC(=O)CN1CSCC1=O)C(=O)[O-] c1ccc(cc1)[*:1] C[C@@](CO[*:1])(NC(=O)CN1CSCC1=O)C(=O)[O-]
C[C@@](COc1ccccc1)(NC(=O)CN1CSCC1=O)C(=O)[O-] c1ccc(cc1)O[*:1] C[C@@](C[*:1])(NC(=O)CN1CSCC1=O)C(=O)[O-]
C[C@@](COc1ccccc1)(NC(=O)CN1CSCC1=O)C(=O)[O-] O=C1CSCN1[*:1] C[C@@](COc1ccccc1)(NC(=O)C[*:1])C(=O)[O-]
C[C@@](COc1ccccc1)(NC(=O)CN1CSCC1=O)C(=O)[O-] O=C([O-])[*:1] C[C@@](COc1ccccc1)(NC(=O)CN1CSCC1=O)[*:1]
CCCn1cc(C(=O)NCc2cc(CC(C)C)on2)c(C)n1 CCC[*:1] Cc1nn(cc1C(=O)NCc1cc(CC(C)C)on1)[*:1]
CCCn1cc(C(=O)NCc2cc(CC(C)C)on2)c(C)n1 CC(C)C[*:1] CCCn1cc(C(=O)NCc2cc(on2)[*:1])c(C)n1
CCCn1cc(C(=O)NCc2cc(CC(C)C)on2)c(C)n1 CC(C)[*:1] CCCn1cc(C(=O)NCc2cc(C[*:1])on2)c(C)n1
CC(C)c1n[nH]c(=S)n1CCNC(=O)C(C)(C)c1ccccc1 CC(C)[*:1] CC(C)(C(=O)NCCn1c(n[nH]c1=S)[*:1])c1ccccc1
CC(C)c1n[nH]c(=S)n1CCNC(=O)C(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)C(C)(C)[*:1]
O=C(C[C@@H]1S/C(=N\C2CC2)NC1=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(C[C@@H]1S/C(=N\C2CC2)NC1=O)Nc1cccc(c1)[*:1]
O=C(C[C@@H]1S/C(=N\C2CC2)NC1=O)Nc1cccc(C(F)(F)F)c1 C1CC1[*:1] O=C(C[C@@H]1SC(=N[*:1])NC1=O)Nc1cccc(c1)C(F)(F)F
Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(C3CC3)[nH]n1)C2 C1CC1[*:1] Cc1cn2C[C@H](CCc2[nH+]1)NC(=O)c1cc([nH]n1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC(C)C)c1 CC(C)C[*:1] CCN(CC)S(=O)(=O)c1ccc(F)c(c1)C(=O)N[*:1]
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC(C)C)c1 CC(C)[*:1] CCN(CC)S(=O)(=O)c1ccc(F)c(c1)C(=O)NC[*:1]
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC(C)C)c1 CC(C)CNC(=O)[*:1] CCN(CC)S(=O)(=O)c1ccc(F)c(c1)[*:1]
CCc1cnc2c(c1SCc1cccc(F)c1)c(=O)n(C)c(=O)n2C Fc1cccc(c1)[*:1] CCc1cnc2c(c1SC[*:1])c(=O)n(C)c(=O)n2C
CCc1cnc2c(c1SCc1cccc(F)c1)c(=O)n(C)c(=O)n2C Fc1cccc(c1)C[*:1] CCc1cnc2c(c1S[*:1])c(=O)n(C)c(=O)n2C
Nc1c(NNC(=O)c2ccccc2)ncnc1Nc1cc(F)ccc1F c1ccc(cc1)[*:1] Nc1c(ncnc1Nc1cc(F)ccc1F)NNC(=O)[*:1]
Nc1c(NNC(=O)c2ccccc2)ncnc1Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] Nc1c(ncnc1N[*:1])NNC(=O)c1ccccc1
CCN(CC)C(=O)C1CCN(C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)CC1 C1CC1c1noc(n1)[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)N[C@H](C(C)C)[*:1]
CCN(CC)C(=O)C1CCN(C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)CC1 CCN(CC)C(=O)[*:1] CC(C)[C@H](NC(=O)N1CCC(CC1)[*:1])c1nc(no1)C1CC1
CCN(CC)C(=O)C1CCN(C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)CC1 CC(C)[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)N[C@H](c1nc(no1)C1CC1)[*:1]
CCN(CC)C(=O)C1CCN(C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)CC1 C1CC1[*:1] CCN(CC)C(=O)C1CCN(CC1)C(=O)N[C@H](c1nc(no1)[*:1])C(C)C
C[C@@H](CC1CCCC1)C(=O)NCc1cccc(Cn2cncn2)c1 C1CCC(C1)[*:1] C[C@@H](C[*:1])C(=O)NCc1cccc(c1)Cn1cncn1
C[C@@H](CC1CCCC1)C(=O)NCc1cccc(Cn2cncn2)c1 c1ncn(n1)[*:1] C[C@@H](CC1CCCC1)C(=O)NCc1cccc(c1)C[*:1]
C[C@@H](CC1CCCC1)C(=O)NCc1cccc(Cn2cncn2)c1 c1ncn(C[*:1])n1 C[C@@H](CC1CCCC1)C(=O)NCc1cccc(c1)[*:1]
C[C@@H](CC1CCCC1)C(=O)NCc1cccc(Cn2cncn2)c1 C1CCC(C1)C[*:1] C[C@@H](C(=O)NCc1cccc(c1)Cn1cncn1)[*:1]
COc1ccc(C)cc1CSC[C@@H](O)CO OC[C@H](O)C[*:1] COc1ccc(C)cc1CS[*:1]
COc1ccc(C)cc1CSC[C@@H](O)CO OC[C@H](O)[*:1] COc1ccc(C)cc1CSC[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)CNc2cccc(-c3nnnn3C)c2)C1 Cn1nnnc1[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CNc1cccc(c1)[*:1]
Cc1nc(C)c(C(=O)NC[C@H](C)Cc2cccs2)o1 c1csc(c1)[*:1] Cc1nc(C)c(o1)C(=O)NC[C@H](C)C[*:1]
Cc1nc(C)c(C(=O)NC[C@H](C)Cc2cccs2)o1 c1csc(c1)C[*:1] Cc1nc(C)c(o1)C(=O)NC[C@H](C)[*:1]
COCCCCNC(=O)c1ccccc1F COCCC[*:1] O=C(NC[*:1])c1ccccc1F
COCCCCNC(=O)c1ccccc1F COC[*:1] O=C(NCCC[*:1])c1ccccc1F
COCCCCNC(=O)c1ccccc1F COCC[*:1] O=C(NCC[*:1])c1ccccc1F
Cc1nc(N2CCCC2)c2c(C)c(C(=O)NCCc3ccccc3)sc2n1 c1ccc(cc1)CC[*:1] Cc1nc(c2c(C)c(sc2n1)C(=O)N[*:1])N1CCCC1
Cc1nc(N2CCCC2)c2c(C)c(C(=O)NCCc3ccccc3)sc2n1 c1ccc(cc1)C[*:1] Cc1nc(c2c(C)c(sc2n1)C(=O)NC[*:1])N1CCCC1
Cc1nc(N2CCCC2)c2c(C)c(C(=O)NCCc3ccccc3)sc2n1 c1ccc(cc1)[*:1] Cc1nc(c2c(C)c(sc2n1)C(=O)NCC[*:1])N1CCCC1
Cc1nc(N2CCCC2)c2c(C)c(C(=O)NCCc3ccccc3)sc2n1 C1CCN(C1)[*:1] Cc1nc(c2c(C)c(sc2n1)C(=O)NCCc1ccccc1)[*:1]
CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)cs2)C1=O Brc1csc(c1)[*:1] CCOC(=O)CN1C(=O)SC(=C[*:1])C1=O
CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)cs2)C1=O CCOC(=O)C[*:1] O=C1S/C(=C/c2cc(Br)cs2)C(=O)N1[*:1]
CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)cs2)C1=O CCOC(=O)[*:1] O=C1S/C(=C/c2cc(Br)cs2)C(=O)N1C[*:1]
CN(CC1CCC1)C(=O)NCc1cc(F)cc2c1OCOC2 C1CC(C1)[*:1] CN(C[*:1])C(=O)NCc1cc(F)cc2COCOc12
CN(CC1CCC1)C(=O)NCc1cc(F)cc2c1OCOC2 C1CC(C1)C[*:1] CN(C(=O)NCc1cc(F)cc2COCOc12)[*:1]
CC1(C)[C@@H](NC(=O)CCOC[C@@H]2CCCO2)[C@@H]2CCO[C@@H]21 C1CO[C@@H](C1)[*:1] CC1(C)[C@@H](NC(=O)CCOC[*:1])[C@@H]2CCO[C@@H]21
CC1(C)[C@@H](NC(=O)CCOC[C@@H]2CCCO2)[C@@H]2CCO[C@@H]21 C1CO[C@@H](C1)CO[*:1] CC1(C)[C@@H](NC(=O)CC[*:1])[C@@H]2CCO[C@@H]21
CC1(C)[C@@H](NC(=O)CCOC[C@@H]2CCCO2)[C@@H]2CCO[C@@H]21 C1CO[C@@H](C1)C[*:1] CC1(C)[C@@H](NC(=O)CCO[*:1])[C@@H]2CCO[C@@H]21
CC[NH+](Cc1cccc(C)c1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1 Cc1cccc(c1)[*:1] CC[NH+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1)C[*:1]
CC[NH+](Cc1cccc(C)c1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1 Fc1ccc(cc1)[*:1] CC[NH+](Cc1cccc(C)c1)Cc1c(C)nn(c1N1CC[NH+](C)CC1)[*:1]
CC[NH+](Cc1cccc(C)c1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1 Cc1cccc(c1)C[*:1] CC[NH+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 CC(=O)N[*:1] O=C(c1nn(cc1[O-])-c1ccc(F)cc1)N1CCC[C@@H](C1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 Fc1ccc(cc1)[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)c1nn(cc1[O-])[*:1]
Nc1c(Nc2cccnc2)nc[nH+]c1N1CCc2ccccc21 c1cncc(c1)[*:1] Nc1c(nc[nH+]c1N1CCc2ccccc21)N[*:1]
Nc1c(Nc2cccnc2)nc[nH+]c1N1CCc2ccccc21 c1cncc(c1)N[*:1] Nc1c(nc[nH+]c1N1CCc2ccccc21)[*:1]
Fc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccncc2)cc1Cl Fc1ccc(cc1Cl)[*:1] S=C(N[*:1])N(Cc1ccccc1)Cc1ccncc1
Fc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccncc2)cc1Cl c1cc(ccn1)[*:1] Fc1ccc(cc1Cl)NC(=S)N(Cc1ccccc1)C[*:1]
Fc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccncc2)cc1Cl c1ccc(cc1)C[*:1] Fc1ccc(cc1Cl)NC(=S)N(Cc1ccncc1)[*:1]
Fc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccncc2)cc1Cl c1cc(ccn1)C[*:1] Fc1ccc(cc1Cl)NC(=S)N(Cc1ccccc1)[*:1]
Fc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccncc2)cc1Cl c1ccc(cc1)[*:1] Fc1ccc(cc1Cl)NC(=S)N(Cc1ccncc1)C[*:1]
CS[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)[C@H](O)C(C)C CC(C)[C@@H](O)[*:1] CS[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)[*:1]
CS[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)[C@H](O)C(C)C CC(C)[*:1] CS[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)[C@H](O)[*:1]
Cc1cccc(NC(=O)Cc2cccc(NC(=O)c3nccc4nc[n-]c34)c2)c1 Cc1cccc(c1)[*:1] O=C(Cc1cccc(c1)NC(=O)c1nccc2nc[n-]c12)N[*:1]
CC(=O)c1ccc(NC(=O)Nc2cnn(CC(F)F)c2)cc1C FC(F)[*:1] CC(=O)c1ccc(cc1C)NC(=O)Nc1cnn(c1)C[*:1]
CC(=O)c1ccc(NC(=O)Nc2cnn(CC(F)F)c2)cc1C FC(F)C[*:1] CC(=O)c1ccc(cc1C)NC(=O)Nc1cnn(c1)[*:1]
CC(=O)c1ccc(NC(=O)Nc2cnn(CC(F)F)c2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)Nc1cnn(c1)CC(F)F
COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccccc1F)[C@@H](c1ccccc1F)N(C)C2=O Fc1ccccc1[*:1] COc1cc2C(=O)N(C)[C@H]([C@@H](C(=O)Nc3ccccc3F)c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccccc1F)[C@@H](c1ccccc1F)N(C)C2=O O=C(Nc1ccccc1F)[*:1] COc1cc2C(=O)N(C)[C@H](c3ccccc3F)[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccccc1F)[C@@H](c1ccccc1F)N(C)C2=O Fc1ccccc1[*:1] COc1cc2C(=O)N(C)[C@H](c3ccccc3F)[C@@H](C(=O)N[*:1])c2cc1OC
O=C(NCc1ccco1)[C@H]1CSc2nccc(=O)n2C1 c1coc(c1)C[*:1] O=C(N[*:1])[C@H]1CSc2nccc(=O)n2C1
O=C(NCc1ccco1)[C@H]1CSc2nccc(=O)n2C1 c1coc(c1)[*:1] O=C(NC[*:1])[C@H]1CSc2nccc(=O)n2C1
CC1(C)CCCN(C[C@H](O)Cn2cccn2)c2ccccc21 c1cnn(c1)[*:1] CC1(C)CCCN(C[C@H](O)C[*:1])c2ccccc21
CC1(C)CCCN(C[C@H](O)Cn2cccn2)c2ccccc21 c1cnn(c1)C[*:1] CC1(C)CCCN(C[C@H](O)[*:1])c2ccccc21
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] CCOC(=O)[*:1] CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H](C1)[*:1]
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] CC(C)(C)[*:1] CCOC(=O)[C@@H]1CN(C[C@H]1[NH3+])C(=O)O[*:1]
CCOC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 CCOC(=O)N[*:1] Fc1ccc(cc1)COc1cccc(c1)[*:1]
CCOC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CCOC(=O)Nc1cccc(c1)OC[*:1]
CCc1c(C(=O)N2CCN(CC)CC2)c(CC(C)C)nn1-c1cccc(C)c1 CC(C)C[*:1] CCc1c(C(=O)N2CCN(CC)CC2)c(nn1-c1cccc(C)c1)[*:1]
CCc1c(C(=O)N2CCN(CC)CC2)c(CC(C)C)nn1-c1cccc(C)c1 Cc1cccc(c1)[*:1] CCc1c(C(=O)N2CCN(CC)CC2)c(CC(C)C)nn1[*:1]
CCc1c(C(=O)N2CCN(CC)CC2)c(CC(C)C)nn1-c1cccc(C)c1 CC(C)[*:1] CCc1c(C(=O)N2CCN(CC)CC2)c(C[*:1])nn1-c1cccc(C)c1
C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] C[C@@H]1CCCCN1c1ccc(cc1NC(=O)[*:1])C(F)(F)F
C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccco1 C[C@@H]1CCCCN1[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)c1ccco1
C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 C[C@@H]1CCCCN1c1ccc(cc1[*:1])C(F)(F)F
C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccco1 FC(F)(F)[*:1] C[C@@H]1CCCCN1c1ccc(cc1NC(=O)c1ccco1)[*:1]
CN(CCc1cccc2ccccc12)C(=O)Cc1cccc(OCC#N)c1 N#CC[*:1] CN(CCc1cccc2ccccc12)C(=O)Cc1cccc(c1)O[*:1]
CN(CCc1cccc2ccccc12)C(=O)Cc1cccc(OCC#N)c1 N#CCO[*:1] CN(CCc1cccc2ccccc12)C(=O)Cc1cccc(c1)[*:1]
NC(=O)NC[C@@H]1CCCCN1c1c(F)cc([N+](=O)[O-])cc1F NC(=O)N[*:1] O=[N+]([O-])c1cc(F)c(c(F)c1)N1CCCC[C@H]1C[*:1]
NC(=O)NC[C@@H]1CCCCN1c1c(F)cc([N+](=O)[O-])cc1F NC(=O)NC[*:1] O=[N+]([O-])c1cc(F)c(c(F)c1)N1CCCC[C@H]1[*:1]
NC(=O)NC[C@@H]1CCCCN1c1c(F)cc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] NC(=O)NC[C@@H]1CCCCN1c1c(F)cc(cc1F)[*:1]
C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 O=[N+]([O-])[*:1] C[C@H](NS(=O)(=O)c1ccccc1[*:1])c1ccc(Cl)c(Cl)c1
CC(C)Cn1ccnc(NCCCc2nc3ccccc3s2)c1=O CC(C)[*:1] O=c1c(nccn1C[*:1])NCCCc1nc2ccccc2s1
CC(C)Cn1ccnc(NCCCc2nc3ccccc3s2)c1=O CC(C)C[*:1] O=c1c(nccn1[*:1])NCCCc1nc2ccccc2s1
C=C(CC)COc1ccc(C[NH2+]C(C)C)nc1 C=C(CC)C[*:1] CC(C)[NH2+]Cc1ccc(cn1)O[*:1]
C=C(CC)COc1ccc(C[NH2+]C(C)C)nc1 C=C(CC)[*:1] CC(C)[NH2+]Cc1ccc(cn1)OC[*:1]
C=C(CC)COc1ccc(C[NH2+]C(C)C)nc1 CC(C)[*:1] C=C(CC)COc1ccc(C[NH2+][*:1])nc1
COC(=O)[C@H](C)S[C@H](C)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)S[C@H](C)C(=O)N(C)[*:1]
COC(=O)[C@H](C)S[C@H](C)C(=O)N(C)c1ccccc1 COC(=O)[*:1] C[C@H](S[C@H](C)C(=O)N(C)c1ccccc1)[*:1]
COC(=O)[C@H](C)S[C@H](C)C(=O)N(C)c1ccccc1 COC(=O)[C@H](C)[*:1] C[C@@H](S[*:1])C(=O)N(C)c1ccccc1
NC(=O)c1cc(OC2CC[NH+](CCC3CCCC3)CC2)ccn1 C1CCC(C1)[*:1] NC(=O)c1cc(ccn1)OC1CC[NH+](CC1)CC[*:1]
NC(=O)c1cc(OC2CC[NH+](CCC3CCCC3)CC2)ccn1 C1CCC(C1)C[*:1] NC(=O)c1cc(ccn1)OC1CC[NH+](CC1)C[*:1]
NC(=O)c1cc(OC2CC[NH+](CCC3CCCC3)CC2)ccn1 C1CCC(C1)CC[*:1] NC(=O)c1cc(ccn1)OC1CC[NH+](CC1)[*:1]
NC(=O)c1cc(OC2CC[NH+](CCC3CCCC3)CC2)ccn1 NC(=O)[*:1] c1cc(cc(n1)[*:1])OC1CC[NH+](CCC2CCCC2)CC1
CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1cc(-c3ccccc3)on1)C2 c1ccc(cc1)[*:1] CCn1nc(C(=O)N2CCOCC2)c2C[C@@H](CCc21)NCc1cc(on1)[*:1]
CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1cc(-c3ccccc3)on1)C2 O=C(N1CCOCC1)[*:1] CCn1nc(c2C[C@@H](CCc21)NCc1cc(on1)-c1ccccc1)[*:1]
CCCN(Cc1ccccc1)C(=O)NCc1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CCCN(Cc1ccccc1)C(=O)NCc1cccc(c1)[*:1]
CCCN(Cc1ccccc1)C(=O)NCc1cccc(S(N)(=O)=O)c1 CCC[*:1] NS(=O)(=O)c1cccc(c1)CNC(=O)N(Cc1ccccc1)[*:1]
CCCN(Cc1ccccc1)C(=O)NCc1cccc(S(N)(=O)=O)c1 c1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)NCc1cccc(c1)S(N)(=O)=O
CCCN(Cc1ccccc1)C(=O)NCc1cccc(S(N)(=O)=O)c1 c1ccc(cc1)C[*:1] CCCN(C(=O)NCc1cccc(c1)S(N)(=O)=O)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 CNC(=O)[*:1] C[C@@H](CN(C)C(=O)c1c[nH]nc1-c1cccc(c1)OC(F)F)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 FC(F)O[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)c1c[nH]nc1-c1cccc(c1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 FC(F)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)c1c[nH]nc1-c1cccc(c1)O[*:1]
Cc1cccc(CCC(=O)O[C@H]2CC[C@H](S(C)(=O)=O)C2)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)CCC(=O)O[C@H]1CC[C@H](C1)[*:1]
Cc1cccc(CCC(=O)O[C@H]2CC[C@H](S(C)(=O)=O)C2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)[C@H]1CC[C@@H](C1)OC(=O)CC[*:1]
CC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 CC(=O)N[*:1] C[C@@H](c1cccc(c1)OC(F)F)[*:1]
CC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 FC(F)O[*:1] CC(=O)N[C@@H](C)c1cccc(c1)[*:1]
CC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 FC(F)[*:1] CC(=O)N[C@@H](C)c1cccc(c1)O[*:1]
CCC[C@H](NC(=O)c1cc(C(C)C)no1)C(=O)OC CC(C)[*:1] CCC[C@H](NC(=O)c1cc(no1)[*:1])C(=O)OC
CCC[C@H](NC(=O)c1cc(C(C)C)no1)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1cc(no1)C(C)C)[*:1]
CCC[C@H](NC(=O)c1cc(C(C)C)no1)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1cc(no1)C(C)C)[*:1]
O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccs1 c1csc(c1)[*:1] O=C([O-])CCC(=O)N1c2ccccc2NC2C[C@H](CC(=O)C=2[C@@H]1[*:1])c1ccco1
O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccs1 O=C([O-])C[*:1] O=C1C[C@@H](CC2Nc3ccccc3N(C(=O)C[*:1])[C@@H](C=21)c1cccs1)c1ccco1
O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccs1 O=C([O-])[*:1] O=C1C[C@@H](CC2Nc3ccccc3N(C(=O)CC[*:1])[C@@H](C=21)c1cccs1)c1ccco1
O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccs1 c1coc(c1)[*:1] O=C([O-])CCC(=O)N1c2ccccc2NC2C[C@@H](CC(=O)C=2[C@H]1c1cccs1)[*:1]
CC(C)[C@@H]([NH2+]C[C@@H](C)N1CCN(c2ccccc2)CC1)c1cccnc1 c1ccc(cc1)[*:1] CC(C)[C@@H]([NH2+]C[C@@H](C)N1CCN(CC1)[*:1])c1cccnc1
CC(C)[C@@H]([NH2+]C[C@@H](C)N1CCN(c2ccccc2)CC1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H]([NH2+]C[C@@H](C)N1CCN(CC1)c1ccccc1)[*:1]
CC(C)[C@@H]([NH2+]C[C@@H](C)N1CCN(c2ccccc2)CC1)c1cccnc1 CC(C)[*:1] C[C@H](C[NH2+][C@@H](c1cccnc1)[*:1])N1CCN(CC1)c1ccccc1
Cc1ccsc1CNC(=O)CN1CC[NH+](CCCO)CC1 OCCC[*:1] Cc1ccsc1CNC(=O)CN1CC[NH+](CC1)[*:1]
Cc1ccsc1CNC(=O)CN1CC[NH+](CCCO)CC1 Cc1ccsc1[*:1] O=C(CN1CC[NH+](CCCO)CC1)NC[*:1]
Cc1ccsc1CNC(=O)CN1CC[NH+](CCCO)CC1 Cc1ccsc1C[*:1] O=C(CN1CC[NH+](CCCO)CC1)N[*:1]
Cc1ccsc1CNC(=O)CN1CC[NH+](CCCO)CC1 OCC[*:1] Cc1ccsc1CNC(=O)CN1CC[NH+](CC1)C[*:1]
CC(C)(C)OC(=O)NCC1(NC(=O)[C@@H]2CCCc3ccccc32)CCCC1 CC(C)(C)[*:1] O=C(NCC1(CCCC1)NC(=O)[C@@H]1CCCc2ccccc21)O[*:1]
CC(C)(C)OC(=O)NCC1(NC(=O)[C@@H]2CCCc3ccccc32)CCCC1 CC(C)(C)OC(=O)NC[*:1] O=C(NC1(CCCC1)[*:1])[C@@H]1CCCc2ccccc21
CC(C)(C)OC(=O)NCC1(NC(=O)[C@@H]2CCCc3ccccc32)CCCC1 CC(C)(C)OC(=O)N[*:1] O=C(NC1(CCCC1)C[*:1])[C@@H]1CCCc2ccccc21
c1ccc(CN2CCc3[nH+]cnc(NCCn4ccnn4)c3CC2)nc1 c1cn(CC[*:1])nn1 c1ccc(CN2CCc3[nH+]cnc(N[*:1])c3CC2)nc1
c1ccc(CN2CCc3[nH+]cnc(NCCn4ccnn4)c3CC2)nc1 c1cn(CCN[*:1])nn1 c1ccc(CN2CCc3[nH+]cnc(c3CC2)[*:1])nc1
c1ccc(CN2CCc3[nH+]cnc(NCCn4ccnn4)c3CC2)nc1 c1ccc(C[*:1])nc1 c1cn(CCNc2nc[nH+]c3CCN(CCc23)[*:1])nn1
c1ccc(CN2CCc3[nH+]cnc(NCCn4ccnn4)c3CC2)nc1 c1cn(nn1)[*:1] c1ccc(CN2CCc3[nH+]cnc(NCC[*:1])c3CC2)nc1
c1ccc(CN2CCc3[nH+]cnc(NCCn4ccnn4)c3CC2)nc1 c1ccc(nc1)[*:1] c1cn(CCNc2nc[nH+]c3CCN(CCc23)C[*:1])nn1
c1ccc(CN2CCc3[nH+]cnc(NCCn4ccnn4)c3CC2)nc1 c1cn(C[*:1])nn1 c1ccc(CN2CCc3[nH+]cnc(NC[*:1])c3CC2)nc1
CCn1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cn1 c1csc(c1)[*:1] CCn1cc(cn1)NC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CCn1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cn1 CCn1cc(cn1)[*:1] O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N/N=C(\C)c2csc3ccccc23)cc1 CC(=O)N[*:1] C/C(=N\NS(=O)(=O)c1ccc(cc1)[*:1])c1csc2ccccc12
O=C(Cc1noc2ccccc12)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 c1ccc(cc1)[*:1] O=C(Cc1noc2ccccc12)N[C@H](c1ccc2nc([nH]c2c1)C(F)(F)F)[*:1]
O=C(Cc1noc2ccccc12)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 FC(F)(F)[*:1] O=C(Cc1noc2ccccc12)N[C@H](c1ccccc1)c1ccc2nc([nH]c2c1)[*:1]
O=C(Cc1noc2ccccc12)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 c1ccc2c(C[*:1])noc2c1 O=C(N[C@H](c1ccccc1)c1ccc2nc([nH]c2c1)C(F)(F)F)[*:1]
O=C(Cc1noc2ccccc12)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 c1ccc2c(noc2c1)[*:1] O=C(C[*:1])N[C@H](c1ccccc1)c1ccc2nc([nH]c2c1)C(F)(F)F
CCOC(=O)Nc1cccc(NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1C CCOC(=O)N[*:1] Cc1c(cccc1[*:1])NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C
CC(C)CC[C@@H](NC(=O)NNc1cccnn1)C(C)(C)C CC(C)(C)[*:1] CC(C)CC[C@@H](NC(=O)NNc1cccnn1)[*:1]
CC(C)CC[C@@H](NC(=O)NNc1cccnn1)C(C)(C)C CC(C)C[*:1] CC(C)(C)[C@@H](C[*:1])NC(=O)NNc1cccnn1
CC(C)CC[C@@H](NC(=O)NNc1cccnn1)C(C)(C)C CC(C)CC[*:1] CC(C)(C)[C@H](NC(=O)NNc1cccnn1)[*:1]
CC(C)CC[C@@H](NC(=O)NNc1cccnn1)C(C)(C)C CC(C)[*:1] CC(C)(C)[C@@H](CC[*:1])NC(=O)NNc1cccnn1
CC(C)CC[C@@H](NC(=O)NNc1cccnn1)C(C)(C)C c1cnnc(c1)[*:1] CC(C)CC[C@@H](NC(=O)NN[*:1])C(C)(C)C
Cc1noc(C)c1[C@H](C)NC(=O)NCCCn1nc2n(c1=O)CCCC2 Cc1noc(C)c1[*:1] C[C@H](NC(=O)NCCCn1nc2CCCCn2c1=O)[*:1]
C[C@H](NC(=O)c1cn(C)nc1-c1ccccc1)c1cnn(C)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cn(C)nc1[*:1])c1cnn(C)c1
C[C@H](NC(=O)c1cn(C)nc1-c1ccccc1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)c1cn(C)nc1-c1ccccc1)[*:1]
CN1CCC2=C(C1)[C@@H](NCc1ccccc1)N=C1N=[NH+]C(N)=C12 c1ccc(cc1)[*:1] CN1CCC2C3C(N=[NH+]C=3N)=N[C@H](NC[*:1])C=2C1
CN1CCC2=C(C1)[C@@H](NCc1ccccc1)N=C1N=[NH+]C(N)=C12 c1ccc(cc1)C[*:1] CN1CCC2C3C(N=[NH+]C=3N)=N[C@H](N[*:1])C=2C1
Cc1ccc(/C=N/N2C(=S)[NH+]=N[C@H]2c2cc[nH+]cc2)s1 Cc1ccc(s1)[*:1] S=C1[NH+]=N[C@@H](c2cc[nH+]cc2)N1N=C[*:1]
CCCc1nn(C)c2c1nc(N)n2-c1cccc(Br)c1 CCC[*:1] Cn1nc(c2nc(N)n(-c3cccc(Br)c3)c21)[*:1]
BrCC1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] BrCC1O[C@H](c2ccccc2)[C@@H](O1)[*:1]
COc1ccccc1NC(=S)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccccc1NC(=S)Nc1ccc(cc1)[*:1]
CCN1CCN(C(=O)c2nnc3sc(-c4cccc(Br)c4)nn23)CC1 Brc1cccc(c1)[*:1] CCN1CCN(CC1)C(=O)c1nnc2sc(nn12)[*:1]
CC(C)(C)c1cc(CCC(=O)N[C@H]2CCS(=O)(=O)C2)cc(C(C)(C)C)c1O CC(C)(C)[*:1] CC(C)(C)c1cc(cc(c1O)[*:1])CCC(=O)N[C@H]1CCS(=O)(=O)C1
O=C(c1cccc(-c2ccoc2)c1)N1CCC[C@H]2CCC[C@@H]21 c1cc(co1)[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@H]2CCC[C@@H]21
O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 c1cn(cn1)[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(c(c1)[*:1])-n1ccnc1
CC[C@@](C)(C(=O)C(C)(C)C)N1CCOCC1 CC(C)(C)[*:1] CC[C@@](C)(C(=O)[*:1])N1CCOCC1
CCc1cccc(N2C[C@@H](C(=O)Nc3c(C)nn(-c4ccc(C)cc4)c3C)CC2=O)c1 Cc1ccc(cc1)[*:1] CCc1cccc(c1)N1C[C@H](CC1=O)C(=O)Nc1c(C)nn(c1C)[*:1]
CCc1cccc(N2C[C@@H](C(=O)Nc3c(C)nn(-c4ccc(C)cc4)c3C)CC2=O)c1 CCc1cccc(c1)[*:1] Cc1ccc(cc1)-n1nc(C)c(NC(=O)[C@H]2CC(=O)N(C2)[*:1])c1C
CC(=O)[C@H](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O CC(=O)[*:1] C[C@H](CN1C(=O)N[C@](C)(C1=O)c1ccc(F)cc1Cl)[*:1]
CC(=O)[C@H](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O CC(=O)[C@H](C)C[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1ccc(F)cc1Cl
CC(=O)[C@H](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O CC(=O)[C@H](C)[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1Cl
O=C(Cn1nc2ccccn2c1=O)Nc1cccc(N2CCCCCC2)c1 C1CCCN(CC1)[*:1] O=C(Cn1nc2ccccn2c1=O)Nc1cccc(c1)[*:1]
CCc1nnc(CN(C)C(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)o1 CCc1nnc(C[*:1])o1 CN(C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1)[*:1]
CCc1nnc(CN(C)C(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)o1 CCc1nnc(o1)[*:1] CN(C[*:1])C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1
CCc1nnc(CN(C)C(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)o1 Clc1ccc(cc1)[*:1] CCc1nnc(CN(C)C(=O)[C@@H]2CCC(=O)N(C2)C[*:1])o1
CCc1nnc(CN(C)C(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)o1 Clc1ccc(cc1)C[*:1] CCc1nnc(CN(C)C(=O)[C@@H]2CCC(=O)N(C2)[*:1])o1
O=C(NCc1ccc(F)cc1C(F)(F)F)N[C@@H]1CCCC[C@@H]1CO FC(F)(F)[*:1] O=C(NCc1ccc(F)cc1[*:1])N[C@@H]1CCCC[C@@H]1CO
O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1 c1ccc(cc1)C[*:1] O=C([C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)[*:1])N1CCOCC1
O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1 Clc1cccc(Cl)c1[*:1] O=C([C@H](Cc1ccccc1)NS(=O)(=O)[*:1])N1CCOCC1
O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)(N[C@@H](Cc1ccccc1)[*:1])c1c(Cl)cccc1Cl
O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@H](C[*:1])NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1
C[C@@]1(CNC(=O)CCCn2ccnn2)CCCC[C@@H]1O c1cn(nn1)[*:1] C[C@]1(CCCC[C@@H]1O)CNC(=O)CCC[*:1]
C[C@@]1(CNC(=O)CCCn2ccnn2)CCCC[C@@H]1O c1cn(C[*:1])nn1 C[C@]1(CCCC[C@@H]1O)CNC(=O)CC[*:1]
Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1[*:1]
CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 Clc1ccccc1[*:1] CC1NC(=O)N[C@H](C=1C(=O)N[*:1])c1ccc(Cl)cc1Cl
CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 Clc1ccc(c(Cl)c1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)Nc1ccccc1Cl)[*:1]
Cc1cccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)c1 C1CO[C@H](C1)C[*:1] Cc1cccc(c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1cccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)c1 C1CO[C@H](C1)[*:1] Cc1cccc(c1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
Cc1cccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)c1 Cc1cccc(c1)[*:1] O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(C1)[*:1]
C=CCOc1ccc(C2N3CC4(C)CN2CC(c2ccccc2)(C3)C4=O)cc1 C=CC[*:1] CC12CN3CC(CN(C1)C3c1ccc(cc1)O[*:1])(C2=O)c1ccccc1
C=CCOc1ccc(C2N3CC4(C)CN2CC(c2ccccc2)(C3)C4=O)cc1 c1ccc(cc1)[*:1] C=CCOc1ccc(cc1)C1N2CC3(C)CN1CC(C2)(C3=O)[*:1]
C=CCOc1ccc(C2N3CC4(C)CN2CC(c2ccccc2)(C3)C4=O)cc1 C=CCO[*:1] CC12CN3CC(CN(C1)C3c1ccc(cc1)[*:1])(C2=O)c1ccccc1
O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(Cn1nnc2ccccc2c1=O)N1CCC[C@@H]1[*:1]
C[C@H]1Oc2cc3cc(C(=O)c4ccccc4O)cnc3cc2NC1=O Oc1ccccc1[*:1] C[C@H]1Oc2cc3cc(cnc3cc2NC1=O)C(=O)[*:1]
O=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 C1CC1[*:1] O=C1NC(C(=O)N1Cc1cc(Cl)c2OCCCOc2c1)(C1CC1)[*:1]
Cc1[nH]ncc1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 Cc1[nH]ncc1[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
Cc1[nH]ncc1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] Cc1[nH]ncc1C(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1
Cc1[nH]ncc1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] Cc1[nH]ncc1C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
O=C1N(CCc2ccccc2)C([O-])=N[C@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] O=C1N(CCc2ccccc2)C([O-])=N[C@]1(NS(=O)(=O)[*:1])C(F)(F)F
O=C1N(CCc2ccccc2)C([O-])=N[C@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F c1ccc(cc1)C[*:1] O=C1N(C[*:1])C([O-])=N[C@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F
O=C1N(CCc2ccccc2)C([O-])=N[C@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F c1ccc(cc1)CC[*:1] O=C1N(C([O-])=N[C@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F)[*:1]
O=C1N(CCc2ccccc2)C([O-])=N[C@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F FC(F)(F)[*:1] O=C1N(CCc2ccccc2)C([O-])=N[C@@]1(NS(=O)(=O)c1ccccc1)[*:1]
O=C1N(CCc2ccccc2)C([O-])=N[C@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] O=C1N(CC[*:1])C([O-])=N[C@]1(NS(=O)(=O)c1ccccc1)C(F)(F)F
CCCC(=O)Nc1ccc(CNC(=O)N2C[C@@H](C)c3ccccc32)cc1 CCCC(=O)N[*:1] C[C@@H]1CN(C(=O)NCc2ccc(cc2)[*:1])c2ccccc21
CCCC(=O)Nc1ccc(CNC(=O)N2C[C@@H](C)c3ccccc32)cc1 CCC[*:1] C[C@@H]1CN(C(=O)NCc2ccc(cc2)NC(=O)[*:1])c2ccccc21
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)NCCc1cccs1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCCCN1C(=O)NCCc1cccs1)O[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)NCCc1cccs1 c1csc(c1)C[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)NC[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)NCCc1cccs1 CC(C)(C)OC(=O)N[*:1] O=C(NCCc1cccs1)N1CCCC[C@H]1C[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)NCCc1cccs1 c1csc(c1)[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)NCC[*:1]
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)NCCc1cccs1 c1csc(c1)CC[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)N[*:1]
Cc1nn(-c2ccccc2)cc1CN1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] Cc1nn(cc1CN1CC[C@H](C1)C[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)cc1CN1CC[C@@H](CN2CCOCC2)C1 c1ccc(cc1)[*:1] Cc1nn(cc1CN1CC[C@@H](CN2CCOCC2)C1)[*:1]
Cc1nn(-c2ccccc2)cc1CN1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] Cc1nn(cc1CN1CC[C@@H](C1)[*:1])-c1ccccc1
Cn1cc(Br)cc1C(=O)Nc1cccc(N2CCCC2=O)c1 Cn1cc(Br)cc1[*:1] O=C1CCCN1c1cccc(c1)NC(=O)[*:1]
Cn1cc(Br)cc1C(=O)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] Cn1cc(Br)cc1C(=O)Nc1cccc(c1)[*:1]
O=C(CN1CCN(c2ccccc2)C1=O)NC1CCCCCC1 c1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])NC1CCCCCC1
O=C(CN1CCN(c2ccccc2)C1=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CN1CCN(C1=O)c1ccccc1)N[*:1]
CCOc1ccc(S(=O)(=O)N2C[C@H](C)OCC2(C)C)cc1 CCO[*:1] C[C@H]1CN(C(C)(C)CO1)S(=O)(=O)c1ccc(cc1)[*:1]
CC[C@H](C(=O)OC)C(=O)c1ccc(Cl)cn1 COC(=O)[*:1] CC[C@H](C(=O)c1ccc(Cl)cn1)[*:1]
C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CCCCC1)c1cccs1 O=C(N1CCCCC1)[*:1] C[NH+](C)[C@@H](CNC(=O)NCC[*:1])c1cccs1
C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CCCCC1)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CCCCC1)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)N2CCN(C(=O)c3ccncc3)CC2)C1 c1cc(ccn1)[*:1] CCS[C@H]1CC[C@H](C1)NC(=O)N1CCN(CC1)C(=O)[*:1]
CCS[C@H]1CC[C@@H](NC(=O)N2CCN(C(=O)c3ccncc3)CC2)C1 CCS[*:1] O=C(N[C@@H]1CC[C@@H](C1)[*:1])N1CCN(CC1)C(=O)c1ccncc1
Cc1nc(CN2CCN(C(=O)[C@H]3CC[NH2+][C@H]3C)CC2)cs1 Cc1nc(cs1)[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC1)C[*:1]
Cc1nc(CN2CCN(C(=O)[C@H]3CC[NH2+][C@H]3C)CC2)cs1 Cc1nc(cs1)C[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC1)[*:1]
Cc1nc(N2CCN(C(=O)C3CCCC3)CC2)cc(-n2cccn2)n1 C1CCC(C1)[*:1] Cc1nc(cc(n1)-n1cccn1)N1CCN(CC1)C(=O)[*:1]
Cc1nc(N2CCN(C(=O)C3CCCC3)CC2)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)C1CCCC1
COC(=O)CN(CC#N)Cc1ccc(-c2cccc(Cl)c2Cl)o1 COC(=O)[*:1] N#CCN(Cc1ccc(o1)-c1cccc(Cl)c1Cl)C[*:1]
COC(=O)CN(CC#N)Cc1ccc(-c2cccc(Cl)c2Cl)o1 COC(=O)C[*:1] N#CCN(Cc1ccc(o1)-c1cccc(Cl)c1Cl)[*:1]
COC(=O)CN(CC#N)Cc1ccc(-c2cccc(Cl)c2Cl)o1 N#CC[*:1] COC(=O)CN(Cc1ccc(o1)-c1cccc(Cl)c1Cl)[*:1]
CC[C@@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1O)C(=O)[O-] O=[N+]([O-])[*:1] CC[C@@H](CCC(=O)Nc1cc(ccc1O)[*:1])C(=O)[O-]
CC[C@@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1O)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](CCC(=O)Nc1cc(ccc1O)[N+](=O)[O-])[*:1]
COc1ccc(NC(=O)Cn2nc(C(C)(C)C)ccc2=O)c([N+](=O)[O-])c1 CC(C)(C)[*:1] COc1ccc(NC(=O)Cn2nc(ccc2=O)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)Cn2nc(C(C)(C)C)ccc2=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)Cn2nc(ccc2=O)C(C)(C)C)c(c1)[*:1]
Cc1ccc(OCc2cccc(C(=O)Nc3cccnc3C)c2)cn1 Cc1ccc(cn1)[*:1] Cc1ncccc1NC(=O)c1cccc(c1)CO[*:1]
Cc1ccc(OCc2cccc(C(=O)Nc3cccnc3C)c2)cn1 Cc1ncccc1[*:1] Cc1ccc(cn1)OCc1cccc(c1)C(=O)N[*:1]
Cc1ccc(OCc2cccc(C(=O)Nc3cccnc3C)c2)cn1 Cc1ccc(cn1)O[*:1] Cc1ncccc1NC(=O)c1cccc(c1)C[*:1]
CN(C[C@@H]1C=NN=C1c1ccccc1)C(=O)c1cccc(C#CC(C)(C)O)c1 CC(C)(O)C#C[*:1] CN(C[C@@H]1C=NN=C1c1ccccc1)C(=O)c1cccc(c1)[*:1]
CN(C[C@@H]1C=NN=C1c1ccccc1)C(=O)c1cccc(C#CC(C)(C)O)c1 CC(C)(O)[*:1] CN(C[C@@H]1C=NN=C1c1ccccc1)C(=O)c1cccc(C#C[*:1])c1
CN(C[C@@H]1C=NN=C1c1ccccc1)C(=O)c1cccc(C#CC(C)(C)O)c1 c1ccc(cc1)[*:1] CN(C[C@@H]1C=NN=C1[*:1])C(=O)c1cccc(C#CC(C)(C)O)c1
Cc1ccc(C)c(-n2ncc(CCl)c2C(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)-n1ncc(CCl)c1[*:1]
C[C@](O)(CNCc1cccc(Br)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@](O)(CNCc1cccc(Br)c1)[*:1]
Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cc1csc(-c2ccsc2)n1 CS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)Cc1csc(n1)-c1ccsc1)[*:1]
Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cc1csc(-c2ccsc2)n1 c1cc(cs1)[*:1] Cc1ccc(cc1NC(=O)Cc1csc(n1)[*:1])S(C)(=O)=O
C[C@@H](CCOc1ccccc1)C(=O)N1CCC[C@H](O)C1 c1ccc(cc1)[*:1] C[C@@H](CCO[*:1])C(=O)N1CCC[C@H](O)C1
COc1cccc(-n2nnc(CO)c2-c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)-n1nnc(CO)c1[*:1]
CNC(=O)c1ccccc1NC(=O)c1ccc(N2CCC(O)CC2)cc1 CNC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)N1CCC(O)CC1
CNC(=O)c1ccccc1NC(=O)c1ccc(N2CCC(O)CC2)cc1 OC1CCN(CC1)[*:1] CNC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CCOC[C@@H](C)[NH2+][C@H](C)C(=O)N1CCc2ccccc21 CCOC[*:1] C[C@@H]([NH2+][C@H](C)[*:1])C(=O)N1CCc2ccccc21
CCOC[C@@H](C)[NH2+][C@H](C)C(=O)N1CCc2ccccc21 CCO[*:1] C[C@H](C[*:1])[NH2+][C@H](C)C(=O)N1CCc2ccccc21
Oc1cccc(CN2CCN(Cc3cnc(-c4ccsc4)s3)CC2)c1 c1cc(cs1)[*:1] Oc1cccc(c1)CN1CCN(CC1)Cc1cnc(s1)[*:1]
Oc1cccc(CN2CCN(Cc3cnc(-c4ccsc4)s3)CC2)c1 Oc1cccc(c1)[*:1] c1cc(cs1)-c1ncc(CN2CCN(CC2)C[*:1])s1
Oc1cccc(CN2CCN(Cc3cnc(-c4ccsc4)s3)CC2)c1 Oc1cccc(c1)C[*:1] c1cc(cs1)-c1ncc(CN2CCN(CC2)[*:1])s1
Cc1cccc(CC(=O)NC[C@@H](O)c2c(F)cccc2F)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])NC[C@@H](O)c1c(F)cccc1F
CC(C)n1nccc1-c1nnc(NC(=O)[C@H](C)Oc2ccccc2)o1 CC(C)[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1nnc(o1)-c1ccnn1[*:1]
CC(C)n1nccc1-c1nnc(NC(=O)[C@H](C)Oc2ccccc2)o1 c1ccc(cc1)[*:1] CC(C)n1nccc1-c1nnc(NC(=O)[C@H](C)O[*:1])o1
CC(C)n1nccc1-c1nnc(NC(=O)[C@H](C)Oc2ccccc2)o1 CC(C)n1nccc1[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1nnc(o1)[*:1]
CC(C)n1nccc1-c1nnc(NC(=O)[C@H](C)Oc2ccccc2)o1 c1ccc(cc1)O[*:1] CC(C)n1nccc1-c1nnc(NC(=O)[C@H](C)[*:1])o1
CCc1noc(C)c1C(=O)NC[C@@H](C)C(=O)OC(C)C CC(C)[*:1] CCc1noc(C)c1C(=O)NC[C@@H](C)C(=O)O[*:1]
CCc1noc(C)c1C(=O)NC[C@@H](C)C(=O)OC(C)C CC(C)OC(=O)[*:1] CCc1noc(C)c1C(=O)NC[C@@H](C)[*:1]
O=C(NCCN1CCN(c2ncccn2)CC1)N1CCC[C@H](CCO)C1 c1cnc(nc1)[*:1] O=C(NCCN1CCN(CC1)[*:1])N1CCC[C@H](CCO)C1
O=C(NCCN1CCN(c2ncccn2)CC1)N1CCC[C@H](CCO)C1 OCC[*:1] O=C(NCCN1CCN(CC1)c1ncccn1)N1CCC[C@H](C1)[*:1]
Cc1n[nH]c(SCC(=O)Nc2cccc(C#Cc3ccccn3)c2)n1 Cc1n[nH]c(n1)S[*:1] O=C(C[*:1])Nc1cccc(C#Cc2ccccn2)c1
Cc1n[nH]c(SCC(=O)Nc2cccc(C#Cc3ccccn3)c2)n1 C(#C[*:1])c1ccccn1 Cc1n[nH]c(n1)SCC(=O)Nc1cccc(c1)[*:1]
Cc1n[nH]c(SCC(=O)Nc2cccc(C#Cc3ccccn3)c2)n1 Cc1n[nH]c(n1)[*:1] O=C(CS[*:1])Nc1cccc(C#Cc2ccccn2)c1
Cc1n[nH]c(SCC(=O)Nc2cccc(C#Cc3ccccn3)c2)n1 Cc1n[nH]c(n1)SC[*:1] O=C(Nc1cccc(C#Cc2ccccn2)c1)[*:1]
Cc1n[nH]c(SCC(=O)Nc2cccc(C#Cc3ccccn3)c2)n1 c1ccc(nc1)[*:1] Cc1n[nH]c(n1)SCC(=O)Nc1cccc(C#C[*:1])c1
CC(=O)Nc1cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)ccc1F CC(=O)N[*:1] CC1CC[NH+](CCNS(=O)(=O)c2ccc(F)c(c2)[*:1])CC1
O=C(Nc1ccccn1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 c1ccc(nc1)[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
O=C(Nc1ccccn1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(Nc1ccccn1)[C@H]1CCCN1C(=O)[*:1]
Cc1cc(C)nc(SCC(=O)NCC[S@](=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)SCC(=O)NCC[S@](=O)[*:1]
Cc1cc(C)c(NC(=O)COC(=O)Cc2cccs2)c(C)c1 c1csc(c1)C[*:1] Cc1cc(C)c(NC(=O)COC(=O)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)COC(=O)Cc2cccs2)c(C)c1 c1csc(c1)[*:1] Cc1cc(C)c(NC(=O)COC(=O)C[*:1])c(C)c1
Cc1ncc(C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ncc(C[NH2+]C[C@H]2CCN(C2)c2ccc(F)c(F)c2)n1[*:1]
Cc1ncc(C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)n1-c1ccccc1 Fc1ccc(cc1F)[*:1] Cc1ncc(C[NH2+]C[C@H]2CCN(C2)[*:1])n1-c1ccccc1
Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 CC(C)(C)c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(cc1)[*:1]
C[C@H](C(=O)N(CCC#N)c1ccccc1F)N1C(=O)c2ccccc2C1=O N#CC[*:1] C[C@H](C(=O)N(C[*:1])c1ccccc1F)N1C(=O)c2ccccc2C1=O
C[C@H](C(=O)N(CCC#N)c1ccccc1F)N1C(=O)c2ccccc2C1=O Fc1ccccc1[*:1] C[C@H](C(=O)N(CCC#N)[*:1])N1C(=O)c2ccccc2C1=O
C[C@H](C(=O)N(CCC#N)c1ccccc1F)N1C(=O)c2ccccc2C1=O N#CCC[*:1] C[C@H](C(=O)N(c1ccccc1F)[*:1])N1C(=O)c2ccccc2C1=O
CC(C)(C)C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 CC(C)(C)C[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(C)(C)C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 CC(C)(C)[*:1] O=C(N[C@H](C[*:1])c1ccc(F)cc1)N1CCN(CC1)c1cccc[nH+]1
CC(C)(C)C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)C[C@@H](NC(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 Fc1cccc(c1)C[*:1] C[C@H](C[*:1])C(=O)N1CCN(CC1)C(=O)[C@H]1CCCO1
C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 Fc1cccc(c1)[*:1] C[C@H](CC[*:1])C(=O)N1CCN(CC1)C(=O)[C@H]1CCCO1
C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] C[C@H](CCc1cccc(F)c1)C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccn(-c2ccc(N3CCC[C@H]3C[C@H](O)c3ccccc3)nn2)n1 c1ccc(cc1)[*:1] Cc1ccn(n1)-c1ccc(nn1)N1CCC[C@H]1C[C@H](O)[*:1]
Cc1ccn(-c2ccc(N3CCC[C@H]3C[C@H](O)c3ccccc3)nn2)n1 O[C@H](c1ccccc1)[*:1] Cc1ccn(n1)-c1ccc(nn1)N1CCC[C@H]1C[*:1]
Cc1ccn(-c2ccc(N3CCC[C@H]3C[C@H](O)c3ccccc3)nn2)n1 Cc1ccn(n1)[*:1] O[C@@H](C[C@@H]1CCCN1c1ccc(nn1)[*:1])c1ccccc1
COC(=O)[C@H]1CCCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)C1 COC(=O)[*:1] C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[*:1])[C@@H](c1ccccc1)N1CCN(CC1)S(=O)(=O)Cc1ccccc1
Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 Cc1ccc(C)c(c1)NC(=O)[*:1] O=S(=O)(Cc1ccccc1)N1CCN(CC1)[C@H](c1ccccc1)[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](N1CCN(CC1)S(=O)(=O)Cc1ccccc1)[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)S(=O)(=O)C[*:1]
CC[C@@H]1CCc2ccccc2N1C(=O)COCc1nc(C)no1 Cc1noc(C[*:1])n1 CC[C@@H]1CCc2ccccc2N1C(=O)CO[*:1]
CC[C@@H]1CCc2ccccc2N1C(=O)COCc1nc(C)no1 Cc1noc(n1)[*:1] CC[C@@H]1CCc2ccccc2N1C(=O)COC[*:1]
CC(C)OCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 CC(C)OCCC[*:1] O=C(N[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(C)OCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 CC(C)OCC[*:1] O=C(NC[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(C)OCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 CC(C)O[*:1] O=C(NCCC[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(C)OCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 CC(C)[*:1] O=C(NCCCO[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(C)OCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 CC(C)OC[*:1] O=C(NCC[*:1])N1CCN(CC1)c1cccc[nH+]1
Cc1cc2nnc(SCC[S@@](=O)c3ccccc3)n2c2ccccc12 c1ccc(cc1)[*:1] Cc1cc2nnc(SCC[S@@](=O)[*:1])n2c2ccccc12
CCn1c(SCC(=O)NN)nnc1-c1ccc(C(C)(C)C)cc1 NNC(=O)[*:1] CCn1c(nnc1-c1ccc(cc1)C(C)(C)C)SC[*:1]
CCn1c(SCC(=O)NN)nnc1-c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCn1c(nnc1-c1ccc(cc1)[*:1])SCC(=O)NN
CCn1c(SCC(=O)NN)nnc1-c1ccc(C(C)(C)C)cc1 NNC(=O)CS[*:1] CCn1c(nnc1[*:1])-c1ccc(cc1)C(C)(C)C
CCn1c(SCC(=O)NN)nnc1-c1ccc(C(C)(C)C)cc1 NNC(=O)C[*:1] CCn1c(nnc1-c1ccc(cc1)C(C)(C)C)S[*:1]
Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)Cc1nc2ccccc2s1 Cc1ccccc1[*:1] CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1C[C@H]1[*:1]
Cc1ccc([C@H]2C[C@H]2C(=O)Nc2cc(C)c(F)cc2C(N)=O)s1 Cc1ccc(s1)[*:1] Cc1cc(NC(=O)[C@@H]2C[C@@H]2[*:1])c(cc1F)C(N)=O
Cc1ccc([C@H]2C[C@H]2C(=O)Nc2cc(C)c(F)cc2C(N)=O)s1 NC(=O)[*:1] Cc1ccc(s1)[C@H]1C[C@H]1C(=O)Nc1cc(C)c(F)cc1[*:1]
Cc1nc(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)c(C)s1 Cc1nc(c(C)s1)[*:1] CC(C)(C(=O)NC[*:1])c1ccc2OCCOc2c1
Cc1nc(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)c(C)s1 Cc1nc(C[*:1])c(C)s1 CC(C)(C(=O)N[*:1])c1ccc2OCCOc2c1
O=C(Nc1ccnn1Cc1ccco1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 c1coc(c1)C[*:1] O=C(Nc1ccnn1[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
O=C(Nc1ccnn1Cc1ccco1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 c1coc(c1)[*:1] O=C(Nc1ccnn1C[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
O=C(Nc1ccnn1Cc1ccco1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 c1cc2OCCOc2cc1[*:1] O=C(Nc1ccnn1Cc1ccco1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[*:1]
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 C=CC[*:1] C[C@H]1C[C@H]1C(=O)Nc1ccc(cc1)NC(=O)N[*:1]
COC(=O)[C@@H]1CCN(C(=O)C2(CC(C)C)CCCC2)C1 CC(C)[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)C1(CCCC1)C[*:1]
COC(=O)[C@@H]1CCN(C(=O)C2(CC(C)C)CCCC2)C1 CC(C)C[*:1] COC(=O)[C@@H]1CCN(C1)C(=O)C1(CCCC1)[*:1]
COC(=O)[C@@H]1CCN(C(=O)C2(CC(C)C)CCCC2)C1 COC(=O)[*:1] CC(C)CC1(CCCC1)C(=O)N1CC[C@H](C1)[*:1]
CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1 c1ccc(nc1)[*:1] CCNS(=O)(=O)c1ccc(cc1)C(=O)NCC[*:1]
CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1 CCNS(=O)(=O)[*:1] O=C(NCCc1ccccn1)c1ccc(cc1)[*:1]
CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1 c1ccc(C[*:1])nc1 CCNS(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CC[C@@H](C)CN1C(=O)[C@H]2CCCCN2C(=O)[C@@H]1C(C)C CC(C)[*:1] CC[C@@H](C)CN1C(=O)[C@H]2CCCCN2C(=O)[C@H]1[*:1]
CC[C@@H](C)CN1C(=O)[C@H]2CCCCN2C(=O)[C@@H]1C(C)C CC[C@@H](C)[*:1] CC(C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C[*:1]
CC[C@@H](C)CN1C(=O)[C@H]2CCCCN2C(=O)[C@@H]1C(C)C CC[C@@H](C)C[*:1] CC(C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1[*:1]
O=C(CNCC(F)(F)F)N[C@H]1C[C@H]1c1cccc(Cl)c1 FC(F)(F)CN[*:1] O=C(C[*:1])N[C@H]1C[C@H]1c1cccc(Cl)c1
O=C(CNCC(F)(F)F)N[C@H]1C[C@H]1c1cccc(Cl)c1 FC(F)(F)C[*:1] O=C(CN[*:1])N[C@H]1C[C@H]1c1cccc(Cl)c1
O=C(CNCC(F)(F)F)N[C@H]1C[C@H]1c1cccc(Cl)c1 FC(F)(F)[*:1] O=C(CNC[*:1])N[C@H]1C[C@H]1c1cccc(Cl)c1
Cc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)NCc2ccncc2)cc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1)C(=O)Nc1nc2c(CCC[C@H]2C(=O)N[*:1])s1
Cc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)NCc2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)C(=O)Nc1nc2c(CCC[C@H]2C(=O)NC[*:1])s1
Cc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)NCc2ccncc2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccncc1)[C@@H]1CCCc2sc(nc21)NC(=O)[*:1]
C=CCSc1nnc2c(n1)O[C@@H](c1ccncc1)Nc1ccc(Br)cc1-2 C=CC[*:1] Brc1ccc2N[C@@H](Oc3nc(nnc3-c2c1)S[*:1])c1ccncc1
C=CCSc1nnc2c(n1)O[C@@H](c1ccncc1)Nc1ccc(Br)cc1-2 c1cc(ccn1)[*:1] C=CCSc1nnc2-c3cc(Br)ccc3N[C@H](Oc2n1)[*:1]
C=CCSc1nnc2c(n1)O[C@@H](c1ccncc1)Nc1ccc(Br)cc1-2 C=CCS[*:1] Brc1ccc2N[C@@H](Oc3nc(nnc3-c2c1)[*:1])c1ccncc1
Cc1ccn(CCC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)n1 Cc1ccccc1[*:1] Cc1ccn(CCC(=O)N2CCC[C@@H](C2)[NH+]2CCN(CC2)[*:1])n1
Cc1ccn(CCC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)n1 Cc1ccn(C[*:1])n1 Cc1ccccc1N1CC[NH+](CC1)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccn(CCC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)n1 Cc1ccn(n1)[*:1] Cc1ccccc1N1CC[NH+](CC1)[C@H]1CCCN(C1)C(=O)CC[*:1]
Cc1ccn(CCC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)n1 Cc1ccn(CC[*:1])n1 Cc1ccccc1N1CC[NH+](CC1)[C@H]1CCCN(C1)C(=O)[*:1]
c1cc(N2CCCC2)[nH+]cc1CN1CCC2(C1)OCCO2 C1CCN(C1)[*:1] c1cc([nH+]cc1CN1CCC2(C1)OCCO2)[*:1]
O=C([O-])c1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 O=C([O-])[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3s2)cc1 CC(=O)N[*:1] CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc(C)no2)n1-c1ccc(C)cc1 COc1ccccc1[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])S[C@H](C)C(=O)Nc1cc(C)no1
COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc(C)no2)n1-c1ccc(C)cc1 Cc1cc(NC(=O)[*:1])on1 COc1ccccc1-c1nnc(S[C@H](C)[*:1])n1-c1ccc(C)cc1
COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc(C)no2)n1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc(C)no2)n1[*:1]
COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc(C)no2)n1-c1ccc(C)cc1 Cc1cc(on1)[*:1] COc1ccccc1-c1nnc(S[C@H](C)C(=O)N[*:1])n1-c1ccc(C)cc1
c1ccc(Cc2noc(COc3ccccn3)n2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)Cc1noc(CO[*:1])n1
c1ccc(Cc2noc(COc3ccccn3)n2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)OCc1nc(C[*:1])no1
Clc1ccccc1[C@@H]1C[NH2+]CC[C@H]1c1cc(Br)cs1 Brc1csc(c1)[*:1] Clc1ccccc1[C@@H]1C[NH2+]CC[C@@H]1[*:1]
CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3ncccc3c2)CC1 CN(C)[*:1] O=C(Nc1ccc2ncccc2c1)C(=O)NC1CC[NH+](CC1)CC[*:1]
CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3ncccc3c2)CC1 CN(C)C[*:1] O=C(Nc1ccc2ncccc2c1)C(=O)NC1CC[NH+](CC1)C[*:1]
CC(=O)c1ccc(NC(=O)Cn2ccc3ccc(F)cc32)cc1 CC(=O)[*:1] O=C(Cn1ccc2ccc(F)cc21)Nc1ccc(cc1)[*:1]
Cc1cccc2[nH]cc(CC(=O)N3CCC[C@H](CN4CCOCC4)C3)c12 C1CN(CCO1)[*:1] Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H](C3)C[*:1])c12
Cc1cccc2[nH]cc(CC(=O)N3CCC[C@H](CN4CCOCC4)C3)c12 C1CN(CCO1)C[*:1] Cc1cccc2[nH]cc(CC(=O)N3CCC[C@H](C3)[*:1])c12
CC(C)[NH+]1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 CC(C)[*:1] O=C(CN1CC[NH+](CC1)[*:1])Nc1ccc2OCOc2c1
CCn1c2ccccc2c2cc([C@@H]3NC(=O)N[C@@](O)(C(F)(F)F)[C@H]3C(=O)c3cccs3)ccc21 c1csc(c1)[*:1] CCn1c2ccccc2c2cc(ccc21)[C@@H]1NC(=O)N[C@](O)([C@H]1C(=O)[*:1])C(F)(F)F
CCn1c2ccccc2c2cc([C@@H]3NC(=O)N[C@@](O)(C(F)(F)F)[C@H]3C(=O)c3cccs3)ccc21 FC(F)(F)[*:1] CCn1c2ccccc2c2cc(ccc21)[C@@H]1NC(=O)N[C@@](O)([C@H]1C(=O)c1cccs1)[*:1]
CCn1c2ccccc2c2cc([C@@H]3NC(=O)N[C@@](O)(C(F)(F)F)[C@H]3C(=O)c3cccs3)ccc21 O=C(c1cccs1)[*:1] CCn1c2ccccc2c2cc(ccc21)[C@@H]1NC(=O)N[C@](O)([C@@H]1[*:1])C(F)(F)F
O=C(CN1CC[NH+](C[C@@H]2CCCCO2)CC1)Nc1nncs1 C1CC[C@H](OC1)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])Nc1nncs1
O=C(CN1CC[NH+](C[C@@H]2CCCCO2)CC1)Nc1nncs1 c1nnc(s1)[*:1] O=C(CN1CC[NH+](CC1)C[C@@H]1CCCCO1)N[*:1]
NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(I)c3)o2)cc1 Ic1cccc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)-c1ccc(/C=N/NC(=O)[*:1])o1
NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(I)c3)o2)cc1 NS(=O)(=O)[*:1] O=C(N/N=C/c1ccc(o1)-c1ccc(cc1)[*:1])c1cccc(I)c1
Cc1ncccc1NC(=O)C(=O)NC[C@@]1(O)CCCc2ccccc21 Cc1ncccc1[*:1] O=C(NC[C@@]1(O)CCCc2ccccc21)C(=O)N[*:1]
C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)[*:1]
C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)c1ccc(Br)cc1 Clc1ccc(cc1)[*:1] C[C@H](Sc1nnc(CO[*:1])o1)C(=O)c1ccc(Br)cc1
C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)c1ccc(Br)cc1 Clc1ccc(cc1)O[*:1] C[C@H](Sc1nnc(C[*:1])o1)C(=O)c1ccc(Br)cc1
NC(=O)c1ccc(NCc2nc(-c3ccco3)no2)cc1 c1coc(c1)[*:1] NC(=O)c1ccc(cc1)NCc1nc(no1)[*:1]
NC(=O)c1ccc(NCc2nc(-c3ccco3)no2)cc1 NC(=O)[*:1] c1coc(c1)-c1noc(CNc2ccc(cc2)[*:1])n1
COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccccc2F)c1 Fc1ccccc1[*:1] COc1ccc(OC)c(c1)[C@H](C)[NH2+]C[*:1]
O=C([O-])[C@H]1CC=CC[C@@H]1c1nc2cc(Cl)ccc2o1 O=C([O-])[*:1] Clc1ccc2oc(nc2c1)[C@H]1CC=CC[C@@H]1[*:1]
CCc1sc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1C O=C([O-])[*:1] CCc1sc(cc1C)C(=O)Nc1ccc(c(O)c1)[*:1]
CCc1ccc([C@@H](C)C(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1 CC(=O)N[*:1] CCc1ccc(cc1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1[*:1]
CCc1ccc([C@@H](C)C(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1 CCc1ccc(cc1)[*:1] CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H](C)[*:1]
CS(=O)(=O)c1ccccc1NCc1ccc(Br)s1 Brc1ccc(s1)[*:1] CS(=O)(=O)c1ccccc1NC[*:1]
CS(=O)(=O)c1ccccc1NCc1ccc(Br)s1 CS(=O)(=O)[*:1] Brc1ccc(CNc2ccccc2[*:1])s1
Cc1cn2c(=O)c(C(=O)NCc3cnn(C)c3C)cnc2s1 Cc1c(cnn1C)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NC[*:1]
CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C CCn1c(C)cc(c1C)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C O=[N+]([O-])c1ccc(cc1)[*:1] CCn1c(C)cc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c1C
CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C O=[N+]([O-])[*:1] CCn1c(C)cc(C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)[*:1])c1C
c1cncc(-c2nc3sc(-c4cccnc4)nc3s2)c1 c1cncc(c1)[*:1] c1cncc(c1)-c1nc2sc(nc2s1)[*:1]
C[C@H]([NH2+][C@H](CO)c1ccccc1F)c1ccc(OC2CCOCC2)cc1 Fc1ccccc1[*:1] C[C@H]([NH2+][C@H](CO)[*:1])c1ccc(cc1)OC1CCOCC1
C[C@H]([NH2+][C@H](CO)c1ccccc1F)c1ccc(OC2CCOCC2)cc1 C1CC(CCO1)[*:1] C[C@H]([NH2+][C@H](CO)c1ccccc1F)c1ccc(cc1)O[*:1]
C[C@H]([NH2+][C@H](CO)c1ccccc1F)c1ccc(OC2CCOCC2)cc1 C1CC(CCO1)O[*:1] C[C@H]([NH2+][C@H](CO)c1ccccc1F)c1ccc(cc1)[*:1]
COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccc(F)c(F)c1F COC(=O)[*:1] CSCC[C@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccc(F)c(F)c1F)[*:1]
COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccc(F)c(F)c1F Fc1ccc(c(F)c1F)[*:1] COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1[*:1]
COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccc(F)c(F)c1F COC(=O)[C@H](CCSC)[*:1] O=C(N[*:1])N1CCc2[nH]c[nH+]c2[C@@H]1c1ccc(F)c(F)c1F
COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccc(F)c(F)c1F CSC[*:1] COC(=O)[C@H](C[*:1])NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccc(F)c(F)c1F
COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccc(F)c(F)c1F CSCC[*:1] COC(=O)[C@H](NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccc(F)c(F)c1F)[*:1]
Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)n1C1CC1 FC(F)(F)[*:1] Cc1nnc(SCC(=O)Nc2cc(ccc2N2CCCCC2)[*:1])n1C1CC1
Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)n1C1CC1 Cc1nnc(S[*:1])n1C1CC1 O=C(C[*:1])Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)n1C1CC1 C1CC1[*:1] Cc1nnc(SCC(=O)Nc2cc(ccc2N2CCCCC2)C(F)(F)F)n1[*:1]
Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)n1C1CC1 Cc1nnc(n1C1CC1)[*:1] O=C(CS[*:1])Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)n1C1CC1 C1CCN(CC1)[*:1] Cc1nnc(SCC(=O)Nc2cc(ccc2[*:1])C(F)(F)F)n1C1CC1
Cc1ccccc1-c1cnc(NC(=O)[C@@H]2CCO[C@H]2C)s1 Cc1ccccc1[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1ncc(s1)[*:1]
C=C(C)C#C[C@@H](OCC)[C@H](C(C)=O)C(=O)OCC CCO[*:1] C=C(C)C#C[C@@H]([C@H](C(C)=O)C(=O)OCC)[*:1]
C=C(C)C#C[C@@H](OCC)[C@H](C(C)=O)C(=O)OCC C=C(C)[*:1] CCOC(=O)[C@@H](C(C)=O)[C@@H](C#C[*:1])OCC
C=C(C)C#C[C@@H](OCC)[C@H](C(C)=O)C(=O)OCC C=C(C)C#C[*:1] CCOC(=O)[C@@H](C(C)=O)[C@H](OCC)[*:1]
C=C(C)C#C[C@@H](OCC)[C@H](C(C)=O)C(=O)OCC CC(=O)[*:1] C=C(C)C#C[C@@H](OCC)[C@H](C(=O)OCC)[*:1]
C=C(C)C#C[C@@H](OCC)[C@H](C(C)=O)C(=O)OCC CCOC(=O)[*:1] C=C(C)C#C[C@@H](OCC)[C@H](C(C)=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nc(cc(n1)N1CCN(CC1)S(=O)(=O)[*:1])N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c(C)c1 C1CN(CCO1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)c1cc(nc(C)n1)[*:1]
C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H]([NH2+]Cc1csc(n1)C(C)(C)C)[*:1]
C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1ccc(Cl)s1 CC(C)(C)[*:1] C[C@H]([NH2+]Cc1csc(n1)[*:1])c1ccc(Cl)s1
O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccnn1Cc1ccccc1 Clc1cccc(c1)C[*:1] O=C(Cc1csc(n1)[*:1])Nc1ccnn1Cc1ccccc1
O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccnn1Cc1ccccc1 Clc1cccc(c1)[*:1] O=C(Cc1csc(C[*:1])n1)Nc1ccnn1Cc1ccccc1
O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccnn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccnn1[*:1]
O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccnn1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccnn1C[*:1]
C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)[C@@H]1CCCO1 c1ccc(cc1)SC[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)[C@@H]1CCCO1 c1ccc(cc1)S[*:1] C[C@H](NC(=O)c1ccc(cc1)C[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)CS[*:1])[C@@H]1CCCO1
O=C(Cc1ccccc1Cl)N1CCc2[nH]c(=O)ccc2C1 Clc1ccccc1[*:1] O=C(C[*:1])N1CCc2[nH]c(=O)ccc2C1
COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] COC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N[C@H](C)[*:1]
COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)c2ccc(C)o2)c1 COC(=O)[*:1] Cc1ccc(o1)[C@@H](C)NS(=O)(=O)c1cc(ccc1Cl)[*:1]
COC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1OC COC(=O)[*:1] COc1cc(OC)c(cc1C=C(C#N)[*:1])OC
C[C@H]1CCc2sc(C(=O)N[C@@H](C)C(N)=O)cc2C1 C[C@@H](C(N)=O)[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)N[*:1]
C[C@H]1CCc2sc(C(=O)N[C@@H](C)C(N)=O)cc2C1 NC(=O)[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)N[C@@H](C)[*:1]
C[C@H](OC(=O)c1cccc(-n2nc([O-])ccc2=O)c1)[C@H]1CCCO1 O=c1ccc([O-])nn1[*:1] C[C@H](OC(=O)c1cccc(c1)[*:1])[C@H]1CCCO1
C[C@H](OC(=O)c1cccc(-n2nc([O-])ccc2=O)c1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](OC(=O)c1cccc(c1)-n1nc([O-])ccc1=O)[*:1]
Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2nc3ccccc3[nH]2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)N[C@H](C)c1nc2ccccc2[nH]1)[*:1]
CN1CCN(C(=O)N2CC[C@@H](CC(=O)[O-])C2)C(C)(C)C1=O O=C([O-])[*:1] CN1CCN(C(=O)N2CC[C@H](C2)C[*:1])C(C)(C)C1=O
CN1CCN(C(=O)N2CC[C@@H](CC(=O)[O-])C2)C(C)(C)C1=O O=C([O-])C[*:1] CN1CCN(C(=O)N2CC[C@@H](C2)[*:1])C(C)(C)C1=O
CCCC1(CCC)NC(=O)N(Cc2csc(C)n2)C1=O CCC[*:1] CCCC1(NC(=O)N(Cc2csc(C)n2)C1=O)[*:1]
CCCC1(CCC)NC(=O)N(Cc2csc(C)n2)C1=O Cc1nc(cs1)[*:1] CCCC1(CCC)NC(=O)N(C[*:1])C1=O
Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(cc1[*:1])C(=O)N[C@@H](C)C[NH+]1CCCCC1)[N+](=O)[O-]
COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2NC(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccccc1OCC(=O)N1CCC[C@@H]1[*:1]
COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2NC(C)=O)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)COc1ccccc1[*:1]
COc1cccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)c1 COc1cccc(c1)[*:1] CS(=O)(=O)Oc1ccc2C(=O)C(=C[*:1])Oc2c1
COc1cccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)c1 CS(=O)(=O)O[*:1] COc1cccc(/C=C2\Oc3cc(ccc3C2=O)[*:1])c1
CC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F CC(=O)NC[*:1] FC(F)Oc1c(Cl)cc(Cl)cc1[*:1]
CC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F FC(F)O[*:1] CC(=O)NCc1cc(Cl)cc(Cl)c1[*:1]
CC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F CC(=O)N[*:1] FC(F)Oc1c(Cl)cc(Cl)cc1C[*:1]
CC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F FC(F)[*:1] CC(=O)NCc1cc(Cl)cc(Cl)c1O[*:1]
CCCc1noc(CSCC(=O)N2CCc3ccccc32)n1 CCC[*:1] O=C(CSCc1nc(no1)[*:1])N1CCc2ccccc21
CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(Cn3cncn3)cc2)c1 CC(C)(C)[*:1] O=C(Nc1cc(ccc1O)[*:1])c1ccc(cc1)Cn1cncn1
CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(Cn3cncn3)cc2)c1 c1ncn(n1)[*:1] CC(C)(C)c1ccc(O)c(c1)NC(=O)c1ccc(cc1)C[*:1]
CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(Cn3cncn3)cc2)c1 c1ncn(C[*:1])n1 CC(C)(C)c1ccc(O)c(c1)NC(=O)c1ccc(cc1)[*:1]
COC(=O)[C@@H]1c2ccsc2CCN1C(=O)c1cc(-c2ccco2)n[nH]1 c1coc(c1)[*:1] COC(=O)[C@@H]1c2ccsc2CCN1C(=O)c1cc(n[nH]1)[*:1]
COC(=O)[C@@H]1c2ccsc2CCN1C(=O)c1cc(-c2ccco2)n[nH]1 COC(=O)[*:1] O=C(c1cc(n[nH]1)-c1ccco1)N1CCc2sccc2[C@H]1[*:1]
C[C@@H]1CN(Cc2ccn(C)c(=O)c2)CCN1Cc1ccn(C)c(=O)c1 Cn1ccc(cc1=O)[*:1] C[C@@H]1CN(CCN1C[*:1])Cc1ccn(C)c(=O)c1
C[C@@H]1CN(Cc2ccn(C)c(=O)c2)CCN1Cc1ccn(C)c(=O)c1 Cn1ccc(cc1=O)[*:1] C[C@@H]1CN(CCN1Cc1ccn(C)c(=O)c1)C[*:1]
O=S(=O)(/N=C(\[O-])[C@@H]1C[C@H]1c1ccccc1F)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=S(=O)(/N=C(\[O-])[C@@H]1C[C@H]1c1ccccc1F)[*:1]
O=S(=O)(/N=C(\[O-])[C@@H]1C[C@H]1c1ccccc1F)c1ccc(F)cc1F Fc1ccccc1[*:1] O=S(=O)(/N=C(\[O-])[C@@H]1C[C@@H]1[*:1])c1ccc(F)cc1F
CNC(=O)NCC(=O)N1CCN(Cc2cccc3ccccc23)CC1 CNC(=O)N[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cccc2ccccc12
CNC(=O)NCC(=O)N1CCN(Cc2cccc3ccccc23)CC1 CNC(=O)NC[*:1] O=C(N1CCN(CC1)Cc1cccc2ccccc12)[*:1]
O=C([O-])C[C@@H]1CN(C(=O)c2ccc(Br)s2)CCO1 Brc1ccc(s1)[*:1] O=C([O-])C[C@@H]1CN(CCO1)C(=O)[*:1]
O=C([O-])C[C@@H]1CN(C(=O)c2ccc(Br)s2)CCO1 O=C([O-])[*:1] O=C(c1ccc(Br)s1)N1CCO[C@@H](C1)C[*:1]
O=C([O-])C[C@@H]1CN(C(=O)c2ccc(Br)s2)CCO1 O=C([O-])C[*:1] O=C(c1ccc(Br)s1)N1CCO[C@@H](C1)[*:1]
CO[C@]1(C)C[C@@H]([NH2+][C@H](C(=O)N2CCCC2)C(C)C)C1(C)C O=C(N1CCCC1)[*:1] CO[C@]1(C)C[C@@H]([NH2+][C@H](C(C)C)[*:1])C1(C)C
CO[C@]1(C)C[C@@H]([NH2+][C@H](C(=O)N2CCCC2)C(C)C)C1(C)C CC(C)[*:1] CO[C@]1(C)C[C@@H]([NH2+][C@H](C(=O)N2CCCC2)[*:1])C1(C)C
O=C(N[C@@H]1CCSc2ccccc21)c1scnc1C1CC1 C1CC1[*:1] O=C(N[C@@H]1CCSc2ccccc21)c1scnc1[*:1]
Cc1ccc(C)c(CSc2ncc(CO)n2Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)CSc1ncc(CO)n1C[*:1]
Cc1ccc(C)c(CSc2ncc(CO)n2Cc2ccccc2)c1 Cc1ccc(C)c(c1)[*:1] OCc1cnc(SC[*:1])n1Cc1ccccc1
Cc1ccc(C)c(CSc2ncc(CO)n2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)CSc1ncc(CO)n1[*:1]
CCOc1c(Cl)cc(/C=N/OCc2nc(C)cs2)cc1OC Cc1csc(C[*:1])n1 CCOc1c(Cl)cc(/C=N/O[*:1])cc1OC
CCOc1c(Cl)cc(/C=N/OCc2nc(C)cs2)cc1OC Cc1csc(n1)[*:1] CCOc1c(Cl)cc(/C=N/OC[*:1])cc1OC
CCOc1c(Cl)cc(/C=N/OCc2nc(C)cs2)cc1OC CCO[*:1] COc1cc(/C=N/OCc2nc(C)cs2)cc(Cl)c1[*:1]
CCC(=O)[C@@H](C(=O)[O-])[C@@H](O)C[N+](C)(C)C C[N+](C)(C)[*:1] CCC(=O)[C@@H](C(=O)[O-])[C@@H](O)C[*:1]
CCC(=O)[C@@H](C(=O)[O-])[C@@H](O)C[N+](C)(C)C C[N+](C)(C)C[*:1] CCC(=O)[C@@H](C(=O)[O-])[C@@H](O)[*:1]
CCC(=O)[C@@H](C(=O)[O-])[C@@H](O)C[N+](C)(C)C O=C([O-])[*:1] CCC(=O)[C@@H]([C@@H](O)C[N+](C)(C)C)[*:1]
CCC(=O)[C@@H](C(=O)[O-])[C@@H](O)C[N+](C)(C)C CCC(=O)[*:1] C[N+](C)(C)C[C@H](O)[C@H](C(=O)[O-])[*:1]
O=C(CN1CCCc2ccccc21)N/N=C/c1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCCc2ccccc21)NN=C[*:1]
Cc1ccc(C)c(N2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N1N=N[C@H]2C(=O)N(C(=O)[C@H]21)[*:1]
Cc1ccc(C)c(N2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)c1 Cc1ccc(C)c(c1)[*:1] O=C1[C@@H]2[C@@H](N=NN2[*:1])C(=O)N1c1ccc(F)cc1
O=C(N/N=C/c1c(F)cccc1Cl)c1cnccn1 c1cnc(cn1)[*:1] O=C(N/N=C/c1c(F)cccc1Cl)[*:1]
CN(c1nc(C(F)(F)F)ccc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C FC(F)(F)[*:1] CN(c1nc(ccc1C#N)[*:1])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)s1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)c1ccc(cc1)C[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)s1 CS(=O)(=O)C[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)CS(C)(=O)=O)[*:1]
CCCOc1ccc(NC(=O)C(=O)N(C)CC2CCCC2)c(C)c1 CCCO[*:1] Cc1cc(ccc1NC(=O)C(=O)N(C)CC1CCCC1)[*:1]
CCCOc1ccc(NC(=O)C(=O)N(C)CC2CCCC2)c(C)c1 CCC[*:1] Cc1cc(ccc1NC(=O)C(=O)N(C)CC1CCCC1)O[*:1]
CCCOc1ccc(NC(=O)C(=O)N(C)CC2CCCC2)c(C)c1 C1CCC(C1)C[*:1] CCCOc1ccc(NC(=O)C(=O)N(C)[*:1])c(C)c1
CCCOc1ccc(NC(=O)C(=O)N(C)CC2CCCC2)c(C)c1 C1CCC(C1)[*:1] CCCOc1ccc(NC(=O)C(=O)N(C)C[*:1])c(C)c1
COc1ccccc1[C@@H]1[C@@H](C(=O)NCc2ccco2)CCC(=O)N1c1ccc(C)cc1 c1coc(c1)[*:1] COc1ccccc1[C@@H]1[C@H](CCC(=O)N1c1ccc(C)cc1)C(=O)NC[*:1]
COc1ccccc1[C@@H]1[C@@H](C(=O)NCc2ccco2)CCC(=O)N1c1ccc(C)cc1 c1coc(c1)C[*:1] COc1ccccc1[C@@H]1[C@H](CCC(=O)N1c1ccc(C)cc1)C(=O)N[*:1]
COc1ccccc1[C@@H]1[C@@H](C(=O)NCc2ccco2)CCC(=O)N1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1[C@H](CCC(=O)N1[*:1])C(=O)NCc1ccco1
COc1ccccc1[C@@H]1[C@@H](C(=O)NCc2ccco2)CCC(=O)N1c1ccc(C)cc1 COc1ccccc1[*:1] Cc1ccc(cc1)N1C(=O)CC[C@H](C(=O)NCc2ccco2)[C@H]1[*:1]
COc1ccccc1[C@@H]1[C@@H](C(=O)NCc2ccco2)CCC(=O)N1c1ccc(C)cc1 O=C(NCc1ccco1)[*:1] COc1ccccc1[C@@H]1[C@@H](CCC(=O)N1c1ccc(C)cc1)[*:1]
Cc1ccccc1C(=O)OCCc1c(C)nc2ncnn2c1[O-] Cc1ccccc1[*:1] Cc1nc2ncnn2c([O-])c1CCOC(=O)[*:1]
CCOC(=O)[C@]1(c2ccccc2)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 c1cc2OCOc2cc1[*:1] CCOC(=O)[C@@]1([NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1])c1ccccc1
CCOC(=O)[C@]1(c2ccccc2)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 c1ccc(cc1)[*:1] CCOC(=O)[C@@]1([NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(C(=O)[C@@H]21)c1ccc2OCOc2c1)[*:1]
CCOC(=O)[C@]1(c2ccccc2)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 Cc1ccccc1[*:1] CCOC(=O)[C@@]1([NH2+][C@@H]([C@H]2C(=O)N(C(=O)[C@@H]21)c1ccc2OCOc2c1)[*:1])c1ccccc1
CCOC(=O)[C@]1(c2ccccc2)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 CCOC(=O)[*:1] Cc1ccccc1[C@@H]1[NH2+][C@@](c2ccccc2)([C@H]2C(=O)N(C(=O)[C@@H]21)c1ccc2OCOc2c1)[*:1]
C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)Nc2ccc(Cl)cc21 c1ccc(cc1)[*:1] C[C@@H](C(=O)[*:1])[C@]1(O)C(=O)Nc2ccc(Cl)cc21
CC(C)[C@@H](NC(=O)c1ccc([O-])nn1)c1nnc2n1CC[NH2+]CC2 [O-]c1ccc(nn1)[*:1] CC(C)[C@@H](NC(=O)[*:1])c1nnc2CC[NH2+]CCn21
CC(C)[C@@H](NC(=O)c1ccc([O-])nn1)c1nnc2n1CC[NH2+]CC2 CC(C)[*:1] O=C(N[C@@H](c1nnc2CC[NH2+]CCn21)[*:1])c1ccc([O-])nn1
Cc1ccc(CC(=O)Nc2ccc(-c3nncn3C)cn2)cc1O Cc1ccc(cc1O)[*:1] Cn1cnnc1-c1ccc(nc1)NC(=O)C[*:1]
Cc1ccc(CC(=O)Nc2ccc(-c3nncn3C)cn2)cc1O Cn1cnnc1[*:1] Cc1ccc(cc1O)CC(=O)Nc1ccc(cn1)[*:1]
COc1ccc([C@@H](C[NH2+][C@@H]2CCCc3c2cnn3C)N(C)C)cc1OC CN(C)[*:1] COc1ccc(cc1OC)[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2C)[*:1]
Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N[C@H](C)[C@@H]1CCC[NH2+]C1)[*:1]
CN(C)S(=O)(=O)N1CCC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] CN(C)S(=O)(=O)N1CCC[C@H](C1)C[*:1]
O=C(CCc1cc(Cl)no1)N1CCCN(c2ccc(F)cc2)CC1 Clc1cc(CC[*:1])on1 O=C(N1CCCN(CC1)c1ccc(F)cc1)[*:1]
O=C(CCc1cc(Cl)no1)N1CCCN(c2ccc(F)cc2)CC1 Clc1cc(C[*:1])on1 O=C(C[*:1])N1CCCN(CC1)c1ccc(F)cc1
O=C(CCc1cc(Cl)no1)N1CCCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCc1cc(Cl)no1)N1CCCN(CC1)[*:1]
O=C(CCc1cc(Cl)no1)N1CCCN(c2ccc(F)cc2)CC1 Clc1cc(on1)[*:1] O=C(CC[*:1])N1CCCN(CC1)c1ccc(F)cc1
COc1c(S(=O)(=O)c2ccc(C)cc2)cnc2cc(Cl)ccc12 Cc1ccc(cc1)[*:1] COc1c(cnc2cc(Cl)ccc12)S(=O)(=O)[*:1]
COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ncn(n1)[*:1]
COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ncn(-c2ccccc2)n1 COC(=O)[*:1] O=C(N[C@@H]1CCC[C@H]1[*:1])c1ncn(n1)-c1ccccc1
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(cc1)[*:1]
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1ccc(cc1)C[*:1] CC1=C(C#N)C(=O)N(C(=O)/C1=C\Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)[*:1]
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 c1ccc(cc1)[*:1] CC1=C(C#N)C(=O)N(C[*:1])C(=O)/C1=C\Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
Cn1ccnc1[C@@H](NC(=O)N1CCC(O)CC1)c1ccc(Cl)cc1 Cn1ccnc1[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)[*:1])N1CCC(O)CC1
Cn1ccnc1[C@@H](NC(=O)N1CCC(O)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)N1CCC(O)CC1)[*:1]
COc1cccc(-c2noc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C[*:1]
COc1cccc(-c2noc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 COc1cccc(c1)[*:1] O=C(CCc1ccccc1)N1CCC[C@@H](C1)c1nc(no1)[*:1]
COc1cccc(-c2noc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 c1ccc(cc1)CC[*:1] COc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)[*:1]
COc1cccc(-c2noc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)CC[*:1]
OCC1(C[NH2+]Cc2ccn(-c3ccccc3)n2)COC1 OCC1(COC1)[*:1] c1ccc(cc1)-n1ccc(C[NH2+]C[*:1])n1
OCC1(C[NH2+]Cc2ccn(-c3ccccc3)n2)COC1 c1ccc(cc1)[*:1] OCC1(C[NH2+]Cc2ccn(n2)[*:1])COC1
CCOc1ccccc1NC(=O)c1cc(Br)c(Br)s1 CCO[*:1] O=C(Nc1ccccc1[*:1])c1cc(Br)c(Br)s1
Cc1csc([C@H](C)NC(=O)N[C@H](c2ccccc2)C2CCCC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)N[C@H](C1CCCC1)[*:1]
Cc1csc([C@H](C)NC(=O)N[C@H](c2ccccc2)C2CCCC2)n1 Cc1csc(n1)[C@H](C)[*:1] O=C(N[C@H](c1ccccc1)C1CCCC1)N[*:1]
Cc1csc([C@H](C)NC(=O)N[C@H](c2ccccc2)C2CCCC2)n1 C1CCC(C1)[*:1] Cc1csc(n1)[C@H](C)NC(=O)N[C@H](c1ccccc1)[*:1]
Cc1csc([C@H](C)NC(=O)N[C@H](c2ccccc2)C2CCCC2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)N[C@H](c1ccccc1)C1CCCC1)[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)NCCSCC(C)(C)O CC(C)(O)C[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCCS[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)NCCSCC(C)(C)O CC(C)(O)CS[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCC[*:1]
C[C@H]1C[C@H](C)CCN1C(=O)NCCSCC(C)(C)O CC(C)(O)[*:1] C[C@H]1C[C@H](C)CCN1C(=O)NCCSC[*:1]
CCc1nc(NCc2cccnc2)c(C#N)c2c1CCCC2 c1cncc(c1)C[*:1] CCc1nc(N[*:1])c(C#N)c2CCCCc12
CCc1nc(NCc2cccnc2)c(C#N)c2c1CCCC2 c1cncc(c1)[*:1] CCc1nc(NC[*:1])c(C#N)c2CCCCc12
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1cccs1 c1csc(c1)C[*:1] O=C1CN(C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3cccc(c3)[N+](=O)[O-])N12)[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1cccs1 c1csc(c1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3cccc(c3)[N+](=O)[O-])N2C(=O)CN1C[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1cccs1 O=[N+]([O-])[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3cccc(c3)[*:1])N2C(=O)CN1Cc1cccs1
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1cccs1 O=[N+]([O-])c1cccc(c1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](N2C(=O)CN1Cc1cccs1)[*:1]
CCc1noc(CC)c1CNC(=O)NCc1cccc(Br)c1 Brc1cccc(c1)[*:1] CCc1noc(CC)c1CNC(=O)NC[*:1]
O=C1CCc2cc(Oc3ncccn3)ccc2N1 c1cnc(nc1)[*:1] O=C1CCc2cc(ccc2N1)O[*:1]
NC(=O)c1ccc(Oc2ccc(N)c(F)c2)nn1 NC(=O)[*:1] Nc1ccc(cc1F)Oc1ccc(nn1)[*:1]
C[NH+](CCOC(=O)c1cccc(Cl)c1)Cc1ccccc1 c1ccc(cc1)[*:1] C[NH+](CCOC(=O)c1cccc(Cl)c1)C[*:1]
C[NH+](CCOC(=O)c1cccc(Cl)c1)Cc1ccccc1 Clc1cccc(c1)[*:1] C[NH+](CCOC(=O)[*:1])Cc1ccccc1
C[NH+](CCOC(=O)c1cccc(Cl)c1)Cc1ccccc1 c1ccc(cc1)C[*:1] C[NH+](CCOC(=O)c1cccc(Cl)c1)[*:1]
C[C@H](c1cccs1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] C[C@H](c1cccs1)[*:1] CN(Cc1ccc(cc1[N+](=O)[O-])C(N)=O)[*:1]
C[C@H](c1cccs1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](c1cccs1)N(C)Cc1ccc(cc1[*:1])C(N)=O
C[C@H](c1cccs1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] c1csc(c1)[*:1] C[C@H](N(C)Cc1ccc(cc1[N+](=O)[O-])C(N)=O)[*:1]
C[C@H](c1cccs1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] NC(=O)[*:1] C[C@H](c1cccs1)N(C)Cc1ccc(cc1[N+](=O)[O-])[*:1]
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 c1c[nH]c(c1)C[*:1] CC(C)C(=O)NC[C@@H]1CCCN(C1)C(=O)[*:1]
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 c1c[nH]c(c1)[*:1] CC(C)C(=O)NC[C@@H]1CCCN(C1)C(=O)C[*:1]
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 CC(C)[*:1] O=C(Cc1ccc[nH]1)N1CCC[C@@H](CNC(=O)[*:1])C1
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 CC(C)C(=O)N[*:1] O=C(Cc1ccc[nH]1)N1CCC[C@H](C1)C[*:1]
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 CC(C)C(=O)NC[*:1] O=C(Cc1ccc[nH]1)N1CCC[C@H](C1)[*:1]
Nc1nccnc1C(=O)NCc1cccc(OCC(F)(F)F)c1 FC(F)(F)[*:1] Nc1nccnc1C(=O)NCc1cccc(c1)OC[*:1]
Nc1nccnc1C(=O)NCc1cccc(OCC(F)(F)F)c1 FC(F)(F)C[*:1] Nc1nccnc1C(=O)NCc1cccc(c1)O[*:1]
Nc1nccnc1C(=O)NCc1cccc(OCC(F)(F)F)c1 FC(F)(F)CO[*:1] Nc1nccnc1C(=O)NCc1cccc(c1)[*:1]
Nc1nccnc1C(=O)NCc1cccc(OCC(F)(F)F)c1 Nc1nccnc1[*:1] O=C(NCc1cccc(c1)OCC(F)(F)F)[*:1]
[NH3+]CC#Cc1cc(F)cc(C[NH+]2CCC(CO)CC2)c1 [NH3+]CC#C[*:1] OCC1CC[NH+](CC1)Cc1cc(F)cc(c1)[*:1]
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccccc1Br)NN=C[*:1]
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccccc1 Brc1ccccc1[*:1] O=C(CNC(=O)[*:1])N/N=C/c1ccccc1
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 CC(C)(C)[*:1] O=C([C@@H]1CCCN(C1)C(=O)[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
O=C(CCCCCn1cnc2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(CCCCCn1cnc2ccccc2c1=O)N1CCN(CC1)[*:1]
Cc1nc([C@H]2CCCN2C(=O)C[NH+](C)C)nc2c1CCC(=O)N2CCCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1nc(nc2c1CCC(=O)N2C[*:1])[C@H]1CCCN1C(=O)C[NH+](C)C
Cc1nc([C@H]2CCCN2C(=O)C[NH+](C)C)nc2c1CCC(=O)N2CCCc1ccccc1 c1ccc(cc1)CCC[*:1] Cc1nc(nc2c1CCC(=O)N2[*:1])[C@H]1CCCN1C(=O)C[NH+](C)C
Cc1nc([C@H]2CCCN2C(=O)C[NH+](C)C)nc2c1CCC(=O)N2CCCc1ccccc1 c1ccc(cc1)[*:1] Cc1nc(nc2c1CCC(=O)N2CCC[*:1])[C@H]1CCCN1C(=O)C[NH+](C)C
Cc1nc([C@H]2CCCN2C(=O)C[NH+](C)C)nc2c1CCC(=O)N2CCCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nc(nc2c1CCC(=O)N2CC[*:1])[C@H]1CCCN1C(=O)C[NH+](C)C
COc1ccccc1NC(=O)CS[C@@H]1NC=Cn2nc(-c3ccccc3OC)cc21 COc1ccccc1[*:1] COc1ccccc1-c1cc2[C@@H](NC=Cn2n1)SCC(=O)N[*:1]
COc1ccccc1NC(=O)CS[C@@H]1NC=Cn2nc(-c3ccccc3OC)cc21 COc1ccccc1[*:1] COc1ccccc1NC(=O)CS[C@@H]1NC=Cn2nc(cc21)[*:1]
NC(=O)[C@@H](NC[C@@H]1CCCO1)c1ccc(Br)cc1F C1CO[C@@H](C1)C[*:1] NC(=O)[C@@H](N[*:1])c1ccc(Br)cc1F
NC(=O)[C@@H](NC[C@@H]1CCCO1)c1ccc(Br)cc1F C1CO[C@@H](C1)[*:1] NC(=O)[C@@H](NC[*:1])c1ccc(Br)cc1F
NC(=O)[C@@H](NC[C@@H]1CCCO1)c1ccc(Br)cc1F NC(=O)[*:1] Fc1cc(Br)ccc1[C@H](NC[C@@H]1CCCO1)[*:1]
COC(=O)[C@H](NC(=O)Cc1coc2c(C)c(C)ccc12)C(C)C CC(C)[*:1] COC(=O)[C@H](NC(=O)Cc1coc2c(C)c(C)ccc12)[*:1]
COC(=O)[C@H](NC(=O)Cc1coc2c(C)c(C)ccc12)C(C)C COC(=O)[*:1] Cc1ccc2c(coc2c1C)CC(=O)N[C@H](C(C)C)[*:1]
N#CC1=C(N)S[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Br)c(F)c1 O=C(c1ccccc1)[*:1] N#CC1=C(N)S[C@H]([C@H]1c1ccc(Br)c(F)c1)[*:1]
N#CC1=C(N)S[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Br)c(F)c1 c1ccc(cc1)[*:1] N#CC1=C(N)S[C@H](C(=O)[*:1])[C@H]1c1ccc(Br)c(F)c1
N#CC1=C(N)S[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Br)c(F)c1 Fc1cc(ccc1Br)[*:1] N#CC1=C(N)S[C@H](C(=O)c2ccccc2)[C@@H]1[*:1]
C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 C=CC[*:1] Cc1n[nH]c2OC(N)=C(C#N)[C@]3(C(=O)N(c4ccccc43)[*:1])c12
COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(C)on3)c(C)c21 Cc1cc(no1)NC(=O)[*:1] COc1ccccc1C(=O)N/N=C1\CCCc2oc(c(C)c21)[*:1]
COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(C)on3)c(C)c21 Cc1cc(no1)[*:1] COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N[*:1])c(C)c21
COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(C)on3)c(C)c21 COc1ccccc1[*:1] Cc1cc(no1)NC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
COc1ccc([C@@H](NC(=O)CCc2ccsc2)c2ccccc2)cc1 c1cc(cs1)C[*:1] COc1ccc(cc1)[C@@H](NC(=O)C[*:1])c1ccccc1
COc1ccc([C@@H](NC(=O)CCc2ccsc2)c2ccccc2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)CC[*:1])c1ccccc1
COc1ccc([C@@H](NC(=O)CCc2ccsc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)CCc1ccsc1)[*:1]
COc1ccc([C@@H](NC(=O)CCc2ccsc2)c2ccccc2)cc1 c1cc(cs1)CC[*:1] COc1ccc(cc1)[C@@H](NC(=O)[*:1])c1ccccc1
COc1ccc([C@@H](NC(=O)CCc2ccsc2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(CCc1ccsc1)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(C(=O)N2CCS[C@]23C(=O)N(Cc2ccc(F)cc2)c2ccc(C)cc23)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCS[C@]12C(=O)N(C[*:1])c1ccc(C)cc12
Cc1ccc(C(=O)N2CCS[C@]23C(=O)N(Cc2ccc(F)cc2)c2ccc(C)cc23)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)[*:1])C(=O)N2Cc1ccc(F)cc1
Cc1ccc(C(=O)N2CCS[C@]23C(=O)N(Cc2ccc(F)cc2)c2ccc(C)cc23)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)N1CCS[C@]12C(=O)N(c1ccc(C)cc12)[*:1]
CCOC(=O)c1nn(-c2ccc(C)c(C)c2)cc1C(C)=O CCOC(=O)[*:1] CC(=O)c1cn(nc1[*:1])-c1ccc(C)c(C)c1
CCOC(=O)c1nn(-c2ccc(C)c(C)c2)cc1C(C)=O CC(=O)[*:1] CCOC(=O)c1nn(cc1[*:1])-c1ccc(C)c(C)c1
Cc1ccc(C#N)c(S[C@H](C(=O)[O-])c2ccccc2)n1 O=C([O-])[*:1] Cc1ccc(C#N)c(n1)S[C@H](c1ccccc1)[*:1]
Cc1ccc(C#N)c(S[C@H](C(=O)[O-])c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ccc(C#N)c(n1)S[C@H](C(=O)[O-])[*:1]
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 Brc1ccccc1[*:1] CC[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CCOc1ccc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 CCO[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
CCOc1ccc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)CN(C)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C)c2c(-n3cccc3)c(C(=O)OCC(=O)c3cc(C)[nH]c3C)sc2n1 Cc1cc(C(=O)[*:1])c(C)[nH]1 Cc1cc(C)c2c(c(sc2n1)C(=O)OC[*:1])-n1cccc1
Cc1cc(C)c2c(-n3cccc3)c(C(=O)OCC(=O)c3cc(C)[nH]c3C)sc2n1 c1ccn(c1)[*:1] Cc1cc(C)c2c(c(sc2n1)C(=O)OCC(=O)c1cc(C)[nH]c1C)[*:1]
Cc1cc(C)c2c(-n3cccc3)c(C(=O)OCC(=O)c3cc(C)[nH]c3C)sc2n1 Cc1cc(c(C)[nH]1)[*:1] Cc1cc(C)c2c(c(sc2n1)C(=O)OCC(=O)[*:1])-n1cccc1
N#Cc1ccc(N(C(=O)c2cc(=O)[nH]c3ccccc23)C2CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C(c1cc(=O)[nH]c2ccccc12)N(C1CC1)[*:1]
N#Cc1ccc(N(C(=O)c2cc(=O)[nH]c3ccccc23)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(cc1)N(C(=O)c1cc(=O)[nH]c2ccccc12)[*:1]
COc1ccc(O)c(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 O[C@H](C[*:1])c1cccs1 COc1ccc(O)c(c1)C(=O)N1CCC[C@H]1[*:1]
COc1ccc(O)c(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 c1csc(c1)[*:1] COc1ccc(O)c(c1)C(=O)N1CCC[C@@H]1C[C@@H](O)[*:1]
O=S(=O)(C1CC1)N1CCCSC[C@H]1C[NH+]1CCCCC1 C1CC1[*:1] O=S(=O)(N1CCCSC[C@H]1C[NH+]1CCCCC1)[*:1]
COCc1nn2c(nnc3c(=O)n(NC(=O)c4ccc(Cl)cc4)ccc32)c1-c1ccc(F)cc1 COC[*:1] O=C(Nn1ccc2c(nnc3c(-c4ccc(F)cc4)c(nn32)[*:1])c1=O)c1ccc(Cl)cc1
COCc1nn2c(nnc3c(=O)n(NC(=O)c4ccc(Cl)cc4)ccc32)c1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COCc1nn2c(nnc3c(=O)n(ccc32)NC(=O)c2ccc(Cl)cc2)c1[*:1]
COCc1nn2c(nnc3c(=O)n(NC(=O)c4ccc(Cl)cc4)ccc32)c1-c1ccc(F)cc1 Clc1ccc(cc1)[*:1] COCc1nn2c(nnc3c(=O)n(ccc32)NC(=O)[*:1])c1-c1ccc(F)cc1
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3nc(-c4ccccc4)n[nH]3)c2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc(n[nH]1)[*:1]
C[C@@H](NC(=O)Cc1cccc(OCc2cccnc2)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Cc1cccc(c1)OCc1cccnc1)[*:1]
C[C@@H](NC(=O)Cc1cccc(OCc2cccnc2)c1)c1ccccc1 c1cncc(c1)CO[*:1] C[C@@H](NC(=O)Cc1cccc(c1)[*:1])c1ccccc1
C[C@@H](NC(=O)Cc1cccc(OCc2cccnc2)c1)c1ccccc1 c1cncc(c1)C[*:1] C[C@@H](NC(=O)Cc1cccc(c1)O[*:1])c1ccccc1
C[C@@H](NC(=O)Cc1cccc(OCc2cccnc2)c1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(Cc1cccc(c1)OCc1cccnc1)N[*:1]
C[C@@H](NC(=O)Cc1cccc(OCc2cccnc2)c1)c1ccccc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)Cc1cccc(c1)OC[*:1])c1ccccc1
Cc1cc(NC(=O)N(C)Cc2cccc(Cl)c2)n(Cc2ccccn2)n1 Clc1cccc(c1)C[*:1] Cc1cc(NC(=O)N(C)[*:1])n(Cc2ccccn2)n1
Cc1cc(NC(=O)N(C)Cc2cccc(Cl)c2)n(Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1cc(NC(=O)N(C)Cc2cccc(Cl)c2)n(C[*:1])n1
Cc1cc(NC(=O)N(C)Cc2cccc(Cl)c2)n(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1cc(NC(=O)N(C)Cc2cccc(Cl)c2)n(n1)[*:1]
Cc1cc(NC(=O)N(C)Cc2cccc(Cl)c2)n(Cc2ccccn2)n1 Clc1cccc(c1)[*:1] Cc1cc(NC(=O)N(C)C[*:1])n(Cc2ccccn2)n1
Cc1c(CC(=O)NCCc2ccsc2)c(=O)oc2cc(O)c(Cl)cc12 c1cc(cs1)CC[*:1] Cc1c(CC(=O)N[*:1])c(=O)oc2cc(O)c(Cl)cc12
Cc1c(CC(=O)NCCc2ccsc2)c(=O)oc2cc(O)c(Cl)cc12 c1cc(cs1)C[*:1] Cc1c(CC(=O)NC[*:1])c(=O)oc2cc(O)c(Cl)cc12
Cc1c(CC(=O)NCCc2ccsc2)c(=O)oc2cc(O)c(Cl)cc12 c1cc(cs1)[*:1] Cc1c(CC(=O)NCC[*:1])c(=O)oc2cc(O)c(Cl)cc12
O=C(Nc1ccccc1C(F)(F)F)N1CCOCC1 FC(F)(F)[*:1] O=C(Nc1ccccc1[*:1])N1CCOCC1
Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c1 C1CCN(C1)[*:1] Cc1ccc(c(c1)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1)[*:1]
Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(c(c1)C(=O)N[C@@H]1CCO[C@@H]1[*:1])N1CCCC1
CCc1ccc(N[C@H](C)C(=O)Nc2cc(C)no2)cc1CC Cc1cc(on1)[*:1] CCc1ccc(cc1CC)N[C@H](C)C(=O)N[*:1]
CC(C)(C)CCNC(=O)c1csc(S(N)(=O)=O)c1 CC(C)(C)CC[*:1] NS(=O)(=O)c1cc(cs1)C(=O)N[*:1]
CC(C)(C)CCNC(=O)c1csc(S(N)(=O)=O)c1 CC(C)(C)C[*:1] NS(=O)(=O)c1cc(cs1)C(=O)NC[*:1]
CC(C)(C)CCNC(=O)c1csc(S(N)(=O)=O)c1 CC(C)(C)[*:1] NS(=O)(=O)c1cc(cs1)C(=O)NCC[*:1]
CC(C)(C)CCNC(=O)c1csc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CC(C)(C)CCNC(=O)c1csc(c1)[*:1]
Cc1ccccc1-c1noc(=O)n1CCC(C)(C)C#N CC(C)(C#N)C[*:1] Cc1ccccc1-c1noc(=O)n1C[*:1]
Cc1ccccc1-c1noc(=O)n1CCC(C)(C)C#N CC(C)(C#N)[*:1] Cc1ccccc1-c1noc(=O)n1CC[*:1]
O=C(CCC[NH2+][C@H]1COc2cc(O)ccc21)NC1CC1 O=C(NC1CC1)[*:1] Oc1ccc2c(c1)OC[C@@H]2[NH2+]CCC[*:1]
O=C(CCC[NH2+][C@H]1COc2cc(O)ccc21)NC1CC1 C1CC1[*:1] O=C(CCC[NH2+][C@H]1COc2cc(O)ccc21)N[*:1]
C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)[*:1]
O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@@H]1CCSc2ccc(Cl)cc21 C1CN(CCO1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])N[C@@H]1CCSc2ccc(Cl)cc21
C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2cc(C#N)cs2)C[C@H](C)O1 N#Cc1csc(c1)[*:1] C[C@H]1CN(C[C@H](C)O1)C[C@@H]1CCCN1C(=O)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N(C)CCOC)o1 COC[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)N(C)C[*:1]
CNS(=O)(=O)c1ccc(C(=O)N(C)CCOC)o1 COCC[*:1] CNS(=O)(=O)c1ccc(o1)C(=O)N(C)[*:1]
CNS(=O)(=O)c1ccc(C(=O)N(C)CCOC)o1 CNS(=O)(=O)[*:1] COCCN(C)C(=O)c1ccc(o1)[*:1]
COc1ccc(CNC(=O)C(=O)Nc2ccccc2F)cn1 Fc1ccccc1[*:1] COc1ccc(cn1)CNC(=O)C(=O)N[*:1]
COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1S(=O)(=O)N1CCOCC1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1[*:1])CC(=O)N1CCN(CC1)C(=O)[C@@H]1CCCO1
C[C@@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(c1)[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)/C=C/C1CC1 C1CC1[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)C=C[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)/C=C/C1CC1 C(=C[*:1])C1CC1 C[C@H]1CN(C)c2ccccc2CN1C(=O)[*:1]
CN(C)C(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-n3cccn3)cc2)c1 CN(C)C(=O)[*:1] O=C(NCc1ccc(cc1)-n1cccn1)C(=O)Nc1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-n3cccn3)cc2)c1 c1cnn(c1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)C(=O)NCc1ccc(cc1)[*:1]
Cc1nccn1-c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cn1 Cc1nccn1[*:1] CS(=O)(=O)N1CCCc2cc(ccc21)C(=O)Nc1ccc(nc1)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O c1coc(c1)[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccco1)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O C[C@@H](c1ccc(F)cc1)[*:1] CN(C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccco1)[*:1]
NNc1nc(-c2ccc(F)cn2)nc2sc3c(c12)CCC3 Fc1ccc(nc1)[*:1] NNc1nc(nc2sc3CCCc3c12)[*:1]
Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2C1 Cc1ccccc1[*:1] N#CC1=C2SCN(CN2C(=O)C[C@@H]1c1ccc(Cl)cc1)[*:1]
Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2C1 Clc1ccc(cc1)[*:1] Cc1ccccc1N1CSC2=C(C#N)[C@@H](CC(=O)N2C1)[*:1]
CCn1nc(C)cc1C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 CCn1nc(C)cc1[*:1] Cc1cc(C)c(-c2csc(n2)NC(=O)[*:1])c(C)c1
COc1ccc(OC)c(CN(CCO)C(=O)c2cccc3[nH]ccc23)c1 OCC[*:1] COc1ccc(OC)c(c1)CN(C(=O)c1cccc2[nH]ccc12)[*:1]
CCc1ncc(NC(=O)N(Cc2cccnc2)Cc2ccco2)cn1 c1cncc(c1)[*:1] CCc1ncc(cn1)NC(=O)N(Cc1ccco1)C[*:1]
CCc1ncc(NC(=O)N(Cc2cccnc2)Cc2ccco2)cn1 CCc1ncc(cn1)[*:1] O=C(N[*:1])N(Cc1cccnc1)Cc1ccco1
CCc1ncc(NC(=O)N(Cc2cccnc2)Cc2ccco2)cn1 c1coc(c1)[*:1] CCc1ncc(cn1)NC(=O)N(Cc1cccnc1)C[*:1]
CCc1ncc(NC(=O)N(Cc2cccnc2)Cc2ccco2)cn1 c1cncc(c1)C[*:1] CCc1ncc(cn1)NC(=O)N(Cc1ccco1)[*:1]
CCc1ncc(NC(=O)N(Cc2cccnc2)Cc2ccco2)cn1 c1coc(c1)C[*:1] CCc1ncc(cn1)NC(=O)N(Cc1cccnc1)[*:1]
CCc1nc2ccc(/C([O-])=N/S(C)(=O)=O)cc2nc1CC CS(=O)(=O)/N=C(\[O-])[*:1] CCc1nc2ccc(cc2nc1CC)[*:1]
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccco1 Clc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1[*:1])c1ccco1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccco1 c1coc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(Cl)cc2)N1CCCN1CCOCC1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccco1 C(CN1CCOCC1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(Cl)cc1)[*:1])c1ccco1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccco1 C1CN(CCO1)C[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccc(Cl)cc1)c1ccco1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccco1 O=C(c1ccco1)[*:1] O=C1C([O-])=C([C@H](c2ccc(Cl)cc2)N1CCCN1CCOCC1)[*:1]
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccco1 C1CN(CCO1)[*:1] O=C(C1=C([O-])C(=O)N(CCC[*:1])[C@H]1c1ccc(Cl)cc1)c1ccco1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccco1 C1CN(CCO1)CC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(Cl)cc1)c1ccco1
CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Oc1ccccc1 c1ccc(cc1)[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@H](OC[C@H]2O[C@@H]1O[*:1])c1ccco1
CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Oc1ccccc1 CC(=O)N[*:1] O[C@@H]1[C@H]2O[C@H](OC[C@H]2O[C@H](Oc2ccccc2)[C@@H]1[*:1])c1ccco1
CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Oc1ccccc1 c1coc(c1)[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](OC[C@H]2O[C@@H]1Oc1ccccc1)[*:1]
CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Oc1ccccc1 c1ccc(cc1)O[*:1] CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@H](OC[C@H]2O[C@H]1[*:1])c1ccco1
COCC(=O)N[C@H](C(=O)Oc1ccccc1F)C(C)C COC[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)Oc1ccccc1F
COCC(=O)N[C@H](C(=O)Oc1ccccc1F)C(C)C CC(C)[*:1] COCC(=O)N[C@H](C(=O)Oc1ccccc1F)[*:1]
COCC(=O)N[C@H](C(=O)Oc1ccccc1F)C(C)C COCC(=O)N[*:1] CC(C)[C@@H](C(=O)Oc1ccccc1F)[*:1]
Cc1cc(-c2cnc(N(C)CCc3cn[nH]c3)nc2-c2cccs2)on1 c1csc(c1)[*:1] Cc1cc(on1)-c1cnc(nc1[*:1])N(C)CCc1cn[nH]c1
Cc1cc(-c2cnc(N(C)CCc3cn[nH]c3)nc2-c2cccs2)on1 c1n[nH]cc1[*:1] Cc1cc(on1)-c1cnc(nc1-c1cccs1)N(C)CC[*:1]
Cc1cc(-c2cnc(N(C)CCc3cn[nH]c3)nc2-c2cccs2)on1 Cc1cc(on1)[*:1] CN(CCc1cn[nH]c1)c1ncc(c(n1)-c1cccs1)[*:1]
Cc1cc(-c2cnc(N(C)CCc3cn[nH]c3)nc2-c2cccs2)on1 c1n[nH]cc1CC[*:1] Cc1cc(on1)-c1cnc(nc1-c1cccs1)N(C)[*:1]
Cc1cc(-c2cnc(N(C)CCc3cn[nH]c3)nc2-c2cccs2)on1 c1n[nH]cc1C[*:1] Cc1cc(on1)-c1cnc(nc1-c1cccs1)N(C)C[*:1]
CS(=O)(=O)NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 CS(=O)(=O)N[*:1] O=C(CCc1ccc(Cl)cc1)N1CCC(CC1)[*:1]
CS(=O)(=O)NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CS(=O)(=O)NC1CCN(CC1)C(=O)CC[*:1]
CCCNC(=O)Nc1ccccc1S(=O)(=O)C(C)C CC(C)[*:1] CCCNC(=O)Nc1ccccc1S(=O)(=O)[*:1]
CCCNC(=O)Nc1ccccc1S(=O)(=O)C(C)C CC(C)S(=O)(=O)[*:1] CCCNC(=O)Nc1ccccc1[*:1]
CCCNC(=O)Nc1ccccc1S(=O)(=O)C(C)C CCC[*:1] CC(C)S(=O)(=O)c1ccccc1NC(=O)N[*:1]
O=C(N[C@@H](Cc1ccccc1)C1CC1)N[C@@H]1CCN(CC(F)(F)F)C1=O c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C1CC1)N[C@@H]1CCN(CC(F)(F)F)C1=O
O=C(N[C@@H](Cc1ccccc1)C1CC1)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] O=C(N[C@@H](Cc1ccccc1)C1CC1)N[C@@H]1CCN(C1=O)[*:1]
O=C(N[C@@H](Cc1ccccc1)C1CC1)N[C@@H]1CCN(CC(F)(F)F)C1=O C1CC1[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])N[C@@H]1CCN(CC(F)(F)F)C1=O
O=C(N[C@@H](Cc1ccccc1)C1CC1)N[C@@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] O=C(N[C@@H](Cc1ccccc1)C1CC1)N[C@@H]1CCN(C[*:1])C1=O
O=C(N[C@@H](Cc1ccccc1)C1CC1)N[C@@H]1CCN(CC(F)(F)F)C1=O c1ccc(cc1)C[*:1] O=C(N[C@@H](C1CC1)[*:1])N[C@@H]1CCN(CC(F)(F)F)C1=O
COc1ccc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[*:1]
COc1ccc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)S2)o1 Cc1ccc(o1)[*:1] Cc1ccc(cc1Cl)NC(=O)C[C@H]1S/C(=N\N=C[*:1])NC1=O
Cc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)S2)o1 Cc1ccc(cc1Cl)[*:1] Cc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)N[*:1])S2)o1
NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)OC[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)[*:1])Cc1cccc(c1)-c1cccnc1
NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)O[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)C[*:1])Cc1cccc(c1)-c1cccnc1
NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)COc2ccccc2)C1 c1cncc(c1)[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)COc1ccccc1)Cc1cccc(c1)[*:1]
NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)COc2ccccc2)C1 NC(=O)[*:1] O=C(COc1ccccc1)N1CCC[C@@](Cc2cccc(c2)-c2cccnc2)(C1)[*:1]
NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)COc2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)[C@@]1(CCCN(C1)C(=O)CO[*:1])Cc1cccc(c1)-c1cccnc1
COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 COc1ccc(C)cc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccccc1
Cc1ccccc1-c1cc(NC(=O)CCOC2CCOCC2)n(C)n1 C1CC(CCO1)O[*:1] Cc1ccccc1-c1cc(NC(=O)CC[*:1])n(C)n1
Cc1ccccc1-c1cc(NC(=O)CCOC2CCOCC2)n(C)n1 C1CC(CCO1)[*:1] Cc1ccccc1-c1cc(NC(=O)CCO[*:1])n(C)n1
Cc1ccccc1-c1cc(NC(=O)CCOC2CCOCC2)n(C)n1 C1CC(CCO1)OC[*:1] Cc1ccccc1-c1cc(NC(=O)C[*:1])n(C)n1
Cc1ccccc1-c1cc(NC(=O)CCOC2CCOCC2)n(C)n1 Cc1ccccc1[*:1] Cn1nc(cc1NC(=O)CCOC1CCOCC1)[*:1]
COCCN(CC(C)C)S(=O)(=O)c1ccccc1F CC(C)[*:1] COCCN(C[*:1])S(=O)(=O)c1ccccc1F
COCCN(CC(C)C)S(=O)(=O)c1ccccc1F COC[*:1] CC(C)CN(C[*:1])S(=O)(=O)c1ccccc1F
COCCN(CC(C)C)S(=O)(=O)c1ccccc1F CC(C)C[*:1] COCCN(S(=O)(=O)c1ccccc1F)[*:1]
COCCN(CC(C)C)S(=O)(=O)c1ccccc1F COCC[*:1] CC(C)CN(S(=O)(=O)c1ccccc1F)[*:1]
C[C@H](C(=O)NCCCN1CC[NH+](C)CC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 c1ccc2[nH]c(cc2c1)[*:1] C[C@H](C(=O)NCCCN1CC[NH+](C)CC1)C1CCN(CC1)C(=O)[*:1]
COc1cc(C)ccc1CNC(=O)Nc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] COc1cc(C)ccc1CNC(=O)Nc1ccc(cc1)[*:1]
NC(=O)NCCC(=O)N1CCC[C@@H](C(N)=O)C1 NC(=O)N[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)CC[*:1]
NC(=O)NCCC(=O)N1CCC[C@@H](C(N)=O)C1 NC(=O)NC[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)C[*:1]
NC(=O)NCCC(=O)N1CCC[C@@H](C(N)=O)C1 NC(=O)[*:1] NC(=O)NCCC(=O)N1CCC[C@@H](C1)[*:1]
CC[C@@H]1CCCCN1C(=O)CNC(=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] CC[C@@H]1CCCCN1C(=O)CNC(=O)[*:1]
CC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1C FC(F)(F)[*:1] CC(=O)c1ccc(cc1C)NC(=O)c1ccc(nc1C)[*:1]
CC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)c1ccc(nc1C)C(F)(F)F
CN(C)C(=O)COc1ccc(NC(=O)CC2(O)CCCCC2)cc1 CN(C)C(=O)[*:1] O=C(CC1(O)CCCCC1)Nc1ccc(cc1)OC[*:1]
CN(C)C(=O)COc1ccc(NC(=O)CC2(O)CCCCC2)cc1 CN(C)C(=O)C[*:1] O=C(CC1(O)CCCCC1)Nc1ccc(cc1)O[*:1]
CN(C)C(=O)COc1ccc(NC(=O)CC2(O)CCCCC2)cc1 OC1(CCCCC1)C[*:1] CN(C)C(=O)COc1ccc(cc1)NC(=O)[*:1]
CN(C)C(=O)COc1ccc(NC(=O)CC2(O)CCCCC2)cc1 OC1(CCCCC1)[*:1] CN(C)C(=O)COc1ccc(cc1)NC(=O)C[*:1]
CN(C)C(=O)COc1ccc(NC(=O)CC2(O)CCCCC2)cc1 CN(C)C(=O)CO[*:1] O=C(CC1(O)CCCCC1)Nc1ccc(cc1)[*:1]
CCOC[C@@H]1CCN(C(=O)C[C@H]2CCCc3cc(OC)ccc32)C1 CCOC[*:1] COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)C[C@H]2CCCc3cc(OC)ccc32)C1 CCO[*:1] COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[C@H](C1)C[*:1]
CCc1cccnc1NC(=O)c1csc(NC(C)=O)n1 CC(=O)N[*:1] CCc1cccnc1NC(=O)c1csc(n1)[*:1]
CC[C@H](C)NC(=O)CCNC(=O)Nc1ccc(N(C)C)[nH+]c1 CC[C@H](C)[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)NCCC(=O)N[*:1]
CC[C@H](C)NC(=O)CCNC(=O)Nc1ccc(N(C)C)[nH+]c1 CN(C)[*:1] CC[C@H](C)NC(=O)CCNC(=O)Nc1ccc([nH+]c1)[*:1]
CC[C@H](C)NC(=O)CCNC(=O)Nc1ccc(N(C)C)[nH+]c1 CC[C@H](C)NC(=O)[*:1] CN(C)c1ccc(c[nH+]1)NC(=O)NCC[*:1]
O=C(COc1ccccc1F)NCCN1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(COc1ccccc1F)NCCN1CCN(CC1)[*:1]
O=C(COc1ccccc1F)NCCN1CCN(c2ccc(F)cc2)CC1 Fc1ccccc1OC[*:1] O=C(NCCN1CCN(CC1)c1ccc(F)cc1)[*:1]
O=C(COc1ccccc1F)NCCN1CCN(c2ccc(F)cc2)CC1 Fc1ccccc1O[*:1] O=C(C[*:1])NCCN1CCN(CC1)c1ccc(F)cc1
O=C(COc1ccccc1F)NCCN1CCN(c2ccc(F)cc2)CC1 Fc1ccccc1[*:1] O=C(CO[*:1])NCCN1CCN(CC1)c1ccc(F)cc1
O=C1CC[C@H](C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)O1 O=C1CC[C@H](O1)[*:1] O=C(N1CC[C@@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
O=C1CC[C@H](C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)O1 FC(F)(F)[*:1] O=C1CC[C@@H](O1)C(=O)N1CC[C@@H](C1)Oc1ccc(cn1)[*:1]
Cc1ccc(C[NH2+]CCCS(C)(=O)=O)c(C)c1 CS(=O)(=O)C[*:1] Cc1ccc(C[NH2+]CC[*:1])c(C)c1
Cc1ccc(C[NH2+]CCCS(C)(=O)=O)c(C)c1 CS(=O)(=O)[*:1] Cc1ccc(C[NH2+]CCC[*:1])c(C)c1
CCc1ccc(S(=O)(=O)NC[C@H](O)c2cccn2C)cc1 Cn1cccc1[*:1] CCc1ccc(cc1)S(=O)(=O)NC[C@H](O)[*:1]
CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F C1CN(CCO1)[*:1] CN(C[C@@H](O)C[*:1])C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F
CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F C1CN(CCO1)C[*:1] CN(C[C@@H](O)[*:1])C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F
CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F Fc1cccc(c1F)[*:1] CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1C[C@H]1[*:1]
CC(C)[C@@H](C#N)OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 CC(C)[*:1] N#C[C@@H](OC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1)[*:1]
CC(C)[C@@H](C#N)OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CC(C)[C@@H](C#N)OC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
C[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)C1 FC(F)[*:1] C[C@H]1CCCN(C1)C(=O)N[C@H](C)c1cccc(c1)O[*:1]
C[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] C[C@H]1CCCN(C1)C(=O)N[C@H](C)c1cccc(c1)[*:1]
Cc1c(F)cccc1NCc1nc(CC(C)C)no1 CC(C)[*:1] Cc1c(F)cccc1NCc1nc(C[*:1])no1
Cc1c(F)cccc1NCc1nc(CC(C)C)no1 CC(C)C[*:1] Cc1c(F)cccc1NCc1nc(no1)[*:1]
Cc1c([C@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cnn1-c1ccc(F)cc1 CS(=O)(=O)N[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@H](C)NC(=O)c1cccc(c1)[*:1]
Cc1c([C@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@H](C)NC(=O)c1cccc(c1)NS(C)(=O)=O
CCc1nn(C)cc1NC(=O)N[C@H](Cc1ccccc1)c1cccs1 c1csc(c1)[*:1] CCc1nn(C)cc1NC(=O)N[C@H](Cc1ccccc1)[*:1]
CCc1nn(C)cc1NC(=O)N[C@H](Cc1ccccc1)c1cccs1 c1ccc(cc1)C[*:1] CCc1nn(C)cc1NC(=O)N[C@H](c1cccs1)[*:1]
CCc1nn(C)cc1NC(=O)N[C@H](Cc1ccccc1)c1cccs1 c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)N[C@H](C[*:1])c1cccs1
CCc1nn(C)cc1NC(=O)N[C@H](Cc1ccccc1)c1cccs1 CCc1nn(C)cc1[*:1] O=C(N[C@H](Cc1ccccc1)c1cccs1)N[*:1]
Cc1nnc(SCCNC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)s1 C1CCC(CC1)[*:1] Cc1nnc(SCCNC(=O)[C@H]2CCCN2C(=O)[*:1])s1
Cc1nnc(SCCNC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)s1 Cc1nnc(s1)[*:1] O=C(NCCS[*:1])[C@H]1CCCN1C(=O)C1CCCCC1
Cc1nnc(SCCNC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)s1 Cc1nnc(SC[*:1])s1 O=C(NC[*:1])[C@H]1CCCN1C(=O)C1CCCCC1
Cc1nnc(SCCNC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)s1 Cc1nnc(S[*:1])s1 O=C(NCC[*:1])[C@H]1CCCN1C(=O)C1CCCCC1
CN(C)c1cccc(CNC(=O)NC[C@@H]2[C@H]3c4ccccc4C[C@@H]23)[nH+]1 CN(C)[*:1] O=C(NCc1cccc([nH+]1)[*:1])NC[C@@H]1[C@H]2c3ccccc3C[C@@H]12
C[S@](=O)Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1Cl Clc1ccc(cc1)[*:1] C[S@](=O)Cc1cc(ccc1Cl)NC(=O)[*:1]
COc1cc(C)ccc1OCc1nnc(-c2ccc(Cl)cc2Cl)o1 Clc1ccc(c(Cl)c1)[*:1] COc1cc(C)ccc1OCc1nnc(o1)[*:1]
O=C(NCC1CCN(C(=O)/C=C/c2ccco2)CC1)Nc1cccc(Cl)c1 C(=C[*:1])c1ccco1 O=C(NCC1CCN(CC1)C(=O)[*:1])Nc1cccc(Cl)c1
O=C(NCC1CCN(C(=O)/C=C/c2ccco2)CC1)Nc1cccc(Cl)c1 c1coc(c1)[*:1] O=C(NCC1CCN(CC1)C(=O)C=C[*:1])Nc1cccc(Cl)c1
O=C(NCC1CCN(C(=O)/C=C/c2ccco2)CC1)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCC1CCN(CC1)C(=O)/C=C/c1ccco1)N[*:1]
O=C(c1ccc(Br)cc1)N1CCC(Oc2cnccn2)CC1 Brc1ccc(cc1)[*:1] O=C(N1CCC(CC1)Oc1cnccn1)[*:1]
O=C(c1ccc(Br)cc1)N1CCC(Oc2cnccn2)CC1 c1cnc(cn1)[*:1] O=C(c1ccc(Br)cc1)N1CCC(CC1)O[*:1]
O=C(c1ccc(Br)cc1)N1CCC(Oc2cnccn2)CC1 c1cnc(cn1)O[*:1] O=C(c1ccc(Br)cc1)N1CCC(CC1)[*:1]
CCS(=O)(=O)NCCNC(=O)Cc1c(F)cccc1F CCS(=O)(=O)N[*:1] O=C(Cc1c(F)cccc1F)NCC[*:1]
CCNC(=O)N(C)[C@H]1C[C@@H](OCC)C1(CC)CC CCO[*:1] CCNC(=O)N(C)[C@H]1C[C@@H](C1(CC)CC)[*:1]
Cc1nc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1Br O=[N+]([O-])[*:1] Cc1nc(ccc1Br)NC(=O)c1ccc(c(c1)[*:1])N1CCC(C)CC1
Cc1nc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1Br Cc1nc(ccc1Br)[*:1] CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
Cc1nc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1Br CC1CCN(CC1)[*:1] Cc1nc(ccc1Br)NC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN(CCN1CCOCC1)S(=O)(=O)c1cc(Br)ccc1F C1CN(CCO1)C[*:1] CN(C[*:1])S(=O)(=O)c1cc(Br)ccc1F
CN(CCN1CCOCC1)S(=O)(=O)c1cc(Br)ccc1F C1CN(CCO1)[*:1] CN(CC[*:1])S(=O)(=O)c1cc(Br)ccc1F
Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2OCC(C)C)s1 Cc1ncc(s1)[*:1] CC(C)COc1ccccc1C[NH2+][C@H](C)[*:1]
Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2OCC(C)C)s1 CC(C)[*:1] Cc1ncc(s1)[C@@H](C)[NH2+]Cc1ccccc1OC[*:1]
Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2OCC(C)C)s1 CC(C)C[*:1] Cc1ncc(s1)[C@@H](C)[NH2+]Cc1ccccc1O[*:1]
Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2OCC(C)C)s1 CC(C)CO[*:1] Cc1ncc(s1)[C@@H](C)[NH2+]Cc1ccccc1[*:1]
CCNc1nc([C@@H]2CN(C)CCN2C)[nH+]c2c1CCCC2 CCN[*:1] CN1CCN(C)[C@@H](C1)c1nc(c2CCCCc2[nH+]1)[*:1]
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(C)s2)cc1 c1coc(c1)C[*:1] CNC(=O)c1ccc(cc1)CN(C(=O)NCc1ccc(C)s1)[*:1]
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(C)s2)cc1 c1coc(c1)[*:1] CNC(=O)c1ccc(cc1)CN(C[*:1])C(=O)NCc1ccc(C)s1
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(C)s2)cc1 CNC(=O)[*:1] Cc1ccc(CNC(=O)N(Cc2ccc(cc2)[*:1])Cc2ccco2)s1
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(C)s2)cc1 Cc1ccc(C[*:1])s1 CNC(=O)c1ccc(cc1)CN(Cc1ccco1)C(=O)N[*:1]
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccc(C)s2)cc1 Cc1ccc(s1)[*:1] CNC(=O)c1ccc(cc1)CN(Cc1ccco1)C(=O)NC[*:1]
CN(Cc1cccs1)C(=O)COC(=O)C1CCN(c2ccc(C#N)cn2)CC1 N#Cc1ccc(nc1)[*:1] CN(Cc1cccs1)C(=O)COC(=O)C1CCN(CC1)[*:1]
CN(Cc1cccs1)C(=O)COC(=O)C1CCN(c2ccc(C#N)cn2)CC1 c1csc(c1)[*:1] CN(C[*:1])C(=O)COC(=O)C1CCN(CC1)c1ccc(C#N)cn1
CN(Cc1cccs1)C(=O)COC(=O)C1CCN(c2ccc(C#N)cn2)CC1 c1csc(c1)C[*:1] CN(C(=O)COC(=O)C1CCN(CC1)c1ccc(C#N)cn1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)C=C[*:1]
CCOC(=O)C1(C)CCN(C(=O)/C=C/c2ccccc2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)/C=C/c1ccccc1)[*:1]
Cc1ccccc1C[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 C[C@@](C#N)(C1CC1)[*:1] Cc1ccccc1C[NH+]1CCN(CC1)CC(=O)N[*:1]
Cc1ccccc1C[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 Cc1ccccc1[*:1] C[C@@](C#N)(NC(=O)CN1CC[NH+](CC1)C[*:1])C1CC1
Cc1ccccc1C[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 Cc1ccccc1C[*:1] C[C@@](C#N)(NC(=O)CN1CC[NH+](CC1)[*:1])C1CC1
Cc1ccccc1C[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 C1CC1[*:1] Cc1ccccc1C[NH+]1CCN(CC1)CC(=O)N[C@@](C)(C#N)[*:1]
CC[C@H](C)c1nc(=O)c(-c2ccc(F)cc2)c([O-])[nH]1 CC[C@H](C)[*:1] O=c1nc([nH]c([O-])c1-c1ccc(F)cc1)[*:1]
COc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CNC(C)=O)c2c1CCCC2 CC(=O)NC[*:1] COc1ccc(c2CCCCc12)S(=O)(=O)N1C[C@@H](F)C[C@@H]1[*:1]
COc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CNC(C)=O)c2c1CCCC2 CC(=O)N[*:1] COc1ccc(c2CCCCc12)S(=O)(=O)N1C[C@@H](F)C[C@H]1C[*:1]
CC(=O)NCC1CCN(C(=O)c2cn3ccccc3n2)CC1 CC(=O)NC[*:1] O=C(c1cn2ccccc2n1)N1CCC(CC1)[*:1]
CC(=O)NCC1CCN(C(=O)c2cn3ccccc3n2)CC1 CC(=O)N[*:1] O=C(c1cn2ccccc2n1)N1CCC(CC1)C[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nc(-c5ccc(F)cc5)no4)CC3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC(CC1)c1nc(no1)-c1ccc(F)cc1
Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nc(-c5ccc(F)cc5)no4)CC3)CC2=O)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)c1nc(no1)[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] O=C(CS[*:1])Nc1ccccc1C(=O)NC[C@@H]1CCCO1
O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 Clc1ccc(cc1)SC[*:1] O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 O=C(NC[C@@H]1CCCO1)[*:1] O=C(CSc1ccc(Cl)cc1)Nc1ccccc1[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 Clc1ccc(cc1)S[*:1] O=C(C[*:1])Nc1ccccc1C(=O)NC[C@@H]1CCCO1
O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCSCC3)CC2)Nc2ncccc21 O=C(C[*:1])N1CCSCC1 O=C1N[C@]2(CCC(=O)N(CC2)[*:1])Nc2ncccc21
O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCSCC3)CC2)Nc2ncccc21 O=C(N1CCSCC1)[*:1] O=C1N[C@]2(CCC(=O)N(CC2)C[*:1])Nc2ncccc21
O=C(NC[C@@H]1CCCO1)NNC(=O)c1cc2cc(Cl)ccc2o1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])NNC(=O)c1cc2cc(Cl)ccc2o1
O=C(NC[C@@H]1CCCO1)NNC(=O)c1cc2cc(Cl)ccc2o1 C1CO[C@@H](C1)C[*:1] O=C(NNC(=O)c1cc2cc(Cl)ccc2o1)N[*:1]
Cc1cccc(-c2cc(=O)[nH]c(Nc3ccccc3C(F)(F)F)n2)c1 FC(F)(F)[*:1] Cc1cccc(c1)-c1cc(=O)[nH]c(n1)Nc1ccccc1[*:1]
Cc1cccc(-c2cc(=O)[nH]c(Nc3ccccc3C(F)(F)F)n2)c1 Cc1cccc(c1)[*:1] O=c1cc(nc(Nc2ccccc2C(F)(F)F)[nH]1)[*:1]
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1O c1ccc(cc1)[*:1] N#C[C@H]([C@H]1CCCN1C(=O)c1ccccc1O)[*:1]
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1O Oc1ccccc1[*:1] N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[*:1]
CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O CC[C@H](C)[*:1] NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(=O)[C@H]12)[*:1]
CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O NC(=O)[*:1] CC[C@H](C)N1C(=O)[C@@H]2[C@H](C[*:1])N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O
CC[C@H](C)N1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O NC(=O)C[*:1] CC[C@H](C)N1C(=O)[C@@H]2[C@H](N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O)[*:1]
C[NH2+]Cc1cccc(C[NH+]2CCC(C)(C)C2)c1 C[NH2+]C[*:1] CC1(C)CC[NH+](Cc2cccc(c2)[*:1])C1
C[C@H](NC(=O)c1ccccn1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] C[C@H](NC(=O)c1ccccn1)c1nc2ccccc2n1C[*:1]
C[C@H](NC(=O)c1ccccn1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl O=C(N[*:1])c1ccccn1 C[C@H](c1nc2ccccc2n1Cc1c(Cl)cccc1Cl)[*:1]
C[C@H](NC(=O)c1ccccn1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl c1ccc(nc1)[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2n1Cc1c(Cl)cccc1Cl
C[C@H](NC(=O)c1ccccn1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl Clc1cccc(Cl)c1C[*:1] C[C@H](NC(=O)c1ccccn1)c1nc2ccccc2n1[*:1]
CC[C@H](C#N)[C@@H](O)c1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@H](C#N)[C@@H](O)c1cccc(c1)O[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)c1ccco1 c1coc(c1)[*:1] CNC(=O)c1cc(C)ccc1NC(=O)[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)c1ccco1 CNC(=O)[*:1] Cc1ccc(NC(=O)c2ccco2)c(c1)[*:1]
C[C@@H](O)[C@@H](NC(=O)CSc1ccc(F)c(F)c1)C(=O)[O-] C[C@@H](O)[*:1] O=C(CSc1ccc(F)c(F)c1)N[C@@H](C(=O)[O-])[*:1]
C[C@@H](O)[C@@H](NC(=O)CSc1ccc(F)c(F)c1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](O)[C@@H](NC(=O)CSc1ccc(F)c(F)c1)[*:1]
CN(C)c1cccc(C(=O)CCCC(=O)[O-])c1 O=C([O-])C[*:1] CN(C)c1cccc(c1)C(=O)CC[*:1]
CN(C)c1cccc(C(=O)CCCC(=O)[O-])c1 O=C([O-])[*:1] CN(C)c1cccc(c1)C(=O)CCC[*:1]
CN(C)c1cccc(C(=O)CCCC(=O)[O-])c1 O=C([O-])CC[*:1] CN(C)c1cccc(c1)C(=O)C[*:1]
CN(C)c1cccc(C(=O)CCCC(=O)[O-])c1 CN(C)[*:1] O=C([O-])CCCC(=O)c1cccc(c1)[*:1]
C=CCCO[C@@H](C)C(=O)N1CC(=O)Nc2cc(Br)ccc21 C=CCC[*:1] C[C@H](O[*:1])C(=O)N1CC(=O)Nc2cc(Br)ccc21
C=CCCO[C@@H](C)C(=O)N1CC(=O)Nc2cc(Br)ccc21 C=CC[*:1] C[C@H](OC[*:1])C(=O)N1CC(=O)Nc2cc(Br)ccc21
C=CCCO[C@@H](C)C(=O)N1CC(=O)Nc2cc(Br)ccc21 C=CCCO[*:1] C[C@@H](C(=O)N1CC(=O)Nc2cc(Br)ccc21)[*:1]
COc1ccc(CNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c(OC)c1 Clc1ccc(cc1)[*:1] COc1ccc(CNC(=O)[C@@H]2CCN(C2=O)[*:1])c(c1)OC
CC(C)COc1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1 c1ccc(cc1)O[*:1] CC(C)COc1cccc(c1)NC(=O)[C@H](C)[*:1]
CC(C)COc1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1 CC(C)CO[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1cccc(c1)[*:1]
CC(C)COc1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1 CC(C)[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1cccc(c1)OC[*:1]
CC(C)COc1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)COc1cccc(c1)NC(=O)[C@H](C)O[*:1]
CC(C)COc1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1 CC(C)C[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1cccc(c1)O[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)c2cc(C(C)(C)C)nn2C)c1 CC(=O)N(C)[*:1] Cn1nc(cc1C(=O)Nc1cccc(c1)C[*:1])C(C)(C)C
CC(=O)N(C)Cc1cccc(NC(=O)c2cc(C(C)(C)C)nn2C)c1 CC(C)(C)[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)c1cc(nn1C)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)c2cc(C(C)(C)C)nn2C)c1 CC(=O)N(C)C[*:1] Cn1nc(cc1C(=O)Nc1cccc(c1)[*:1])C(C)(C)C
CN(C)C(=O)[C@@H]1CNCCN1C(=O)C[C@@H]1CCCCO1 CN(C)C(=O)[*:1] O=C(C[C@@H]1CCCCO1)N1CCNC[C@H]1[*:1]
CN(C)C(=O)[C@@H]1CNCCN1C(=O)C[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] CN(C)C(=O)[C@@H]1CNCCN1C(=O)C[*:1]
COC[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC)C1 COC[*:1] CO[C@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](C1)[*:1]
CN(Cc1ccncc1)S(=O)(=O)c1c(Cl)cccc1Cl c1cc(ccn1)[*:1] CN(C[*:1])S(=O)(=O)c1c(Cl)cccc1Cl
CC[C@@H](C)N(C)C(=O)NCCCN1C[C@H](C)O[C@H](C)C1 CC[C@@H](C)[*:1] C[C@H]1CN(CCCNC(=O)N(C)[*:1])C[C@@H](C)O1
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1 C1Cc2[nH]nc(c2C1)[*:1] O=C(N1CCC[C@H](C1)c1n[nH]c(=O)n1-c1ccccc1)[*:1]
O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1n[nH]c2CCCc12)N1CCC[C@H](C1)c1n[nH]c(=O)n1[*:1]
O=C(CC[C@H]1CCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CC[C@H]1CCCO1)N1CCN(CC1)C(c1ccccc1)[*:1]
COc1cc(CNC(=O)c2ccc(I)cc2)ccc1OCCO OCC[*:1] COc1cc(ccc1O[*:1])CNC(=O)c1ccc(I)cc1
COc1cc(CNC(=O)c2ccc(I)cc2)ccc1OCCO OCCO[*:1] COc1cc(ccc1[*:1])CNC(=O)c1ccc(I)cc1
COc1cc(CNC(=O)c2ccc(I)cc2)ccc1OCCO Ic1ccc(cc1)[*:1] COc1cc(ccc1OCCO)CNC(=O)[*:1]
Cc1ccc(Cc2nc(C(=O)N3CCC[C@H]3c3nncn3C)cs2)cc1 Cc1ccc(cc1)C[*:1] Cn1cnnc1[C@@H]1CCCN1C(=O)c1csc(n1)[*:1]
Cc1ccc(Cc2nc(C(=O)N3CCC[C@H]3c3nncn3C)cs2)cc1 Cn1cnnc1[*:1] Cc1ccc(cc1)Cc1nc(cs1)C(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(Cc2nc(C(=O)N3CCC[C@H]3c3nncn3C)cs2)cc1 Cc1ccc(cc1)[*:1] Cn1cnnc1[C@@H]1CCCN1C(=O)c1csc(C[*:1])n1
COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)c1 COc1cccc(c1)[*:1] Nn1c(nc2ccccc2c1=O)SCC(=O)N[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(C)c(C(N)=O)c2)cc1C NC(=O)[*:1] Cc1ccc(cc1C)S(=O)(=O)Nc1ccc(C)c(c1)[*:1]
CC(C)(C)[C@H](NCCOc1ccccc1Br)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NCCOc1ccccc1Br)[*:1]
CC(C)(C)[C@H](NCCOc1ccccc1Br)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NCCOc1ccccc1Br)[*:1]
O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cnn2cccnc12 c1ccc(cc1)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)[*:1])c1cnn2cccnc12
O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cnn2cccnc12 Clc1ccc(cc1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1cnn2cccnc12
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2cccnc2)cc1 CCO[*:1] CC(C)c1nnc(s1)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2)[*:1])[C@@H]1c1cccnc1
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2cccnc2)cc1 CC(C)c1nnc(s1)[*:1] CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccnc1)[*:1]
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2cccnc2)cc1 c1cncc(c1)[*:1] CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2nnc(s2)C(C)C)[C@@H]1[*:1]
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2cccnc2)cc1 CCOc1ccc(cc1)[*:1] CC(C)c1nnc(s1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccnc1
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2cccnc2)cc1 CC(C)[*:1] CCOc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2nnc(s2)[*:1])[C@H]1c1cccnc1
Cc1ccccc1Nc1nc(N)nc(Cn2cnc3c(C)cccc3c2=O)n1 Cc1ccccc1N[*:1] Cc1cccc2c(=O)n(cnc12)Cc1nc(N)nc(n1)[*:1]
Cc1ccccc1Nc1nc(N)nc(Cn2cnc3c(C)cccc3c2=O)n1 Cc1ccccc1[*:1] Cc1cccc2c(=O)n(cnc12)Cc1nc(N)nc(n1)N[*:1]
CN1Cc2ccccc2C[C@@H]1C(=O)NCCC(=O)NCC(=O)[O-] O=C([O-])[*:1] CN1Cc2ccccc2C[C@@H]1C(=O)NCCC(=O)NC[*:1]
CN1Cc2ccccc2C[C@@H]1C(=O)NCCC(=O)NCC(=O)[O-] O=C([O-])C[*:1] CN1Cc2ccccc2C[C@@H]1C(=O)NCCC(=O)N[*:1]
CN1Cc2ccccc2C[C@@H]1C(=O)NCCC(=O)NCC(=O)[O-] O=C([O-])CNC(=O)[*:1] CN1Cc2ccccc2C[C@@H]1C(=O)NCC[*:1]
CN(CC(C)(C)O)C[C@]1(C[NH3+])CCOC1 CC(C)(O)C[*:1] CN(C[C@]1(C[NH3+])CCOC1)[*:1]
CN(CC(C)(C)O)C[C@]1(C[NH3+])CCOC1 CC(C)(O)[*:1] CN(C[C@]1(C[NH3+])CCOC1)C[*:1]
CN(CCCS(C)(=O)=O)C(=O)c1cc(Cl)c(Cl)n1C CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)c1cc(Cl)c(Cl)n1C
CN(CCCS(C)(=O)=O)C(=O)c1cc(Cl)c(Cl)n1C CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)c1cc(Cl)c(Cl)n1C
CN(CCCS(C)(=O)=O)C(=O)c1cc(Cl)c(Cl)n1C CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)c1cc(Cl)c(Cl)n1C
Cc1ccc(OCCc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)OCCc1nnc(NC(=O)[*:1])s1
Cc1ccc(OCCc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)Nc1nnc(CCO[*:1])s1
Cc1ccc(OCCc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 Cc1ccc(cc1)O[*:1] Cc1ccc(cc1)C(=O)Nc1nnc(CC[*:1])s1
C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccc2[nH]c(=O)[nH]c2c1 O=C1CCCCN1[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CCNC(=O)NC1CCC(OC(=O)c2cc(SC)ccc2Cl)CC1 CCNC(=O)N[*:1] CSc1ccc(Cl)c(c1)C(=O)OC1CCC(CC1)[*:1]
COc1ccc(OC)c(-c2csc(NC(=O)C3CCOCC3)n2)c1 C1CC(CCO1)[*:1] COc1ccc(OC)c(c1)-c1csc(n1)NC(=O)[*:1]
C/[NH+]=C(/NCC#Cc1ccccc1)N[C@@H]1CCN(CC(F)(F)F)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCC#C[*:1])N[C@@H]1CCN(C1)CC(F)(F)F
C/[NH+]=C(/NCC#Cc1ccccc1)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] C/[NH+]=C(/NCC#Cc1ccccc1)N[C@@H]1CCN(C1)C[*:1]
C/[NH+]=C(/NCC#Cc1ccccc1)N[C@@H]1CCN(CC(F)(F)F)C1 C(#C[*:1])c1ccccc1 C/[NH+]=C(/NC[*:1])N[C@@H]1CCN(C1)CC(F)(F)F
C/[NH+]=C(/NCC#Cc1ccccc1)N[C@@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] C/[NH+]=C(/NCC#Cc1ccccc1)N[C@@H]1CCN(C1)[*:1]
O=C(CNc1cc(C(F)(F)F)ccc1N1CCCC1)NC1CCCCC1 FC(F)(F)[*:1] O=C(CNc1cc(ccc1N1CCCC1)[*:1])NC1CCCCC1
O=C(CNc1cc(C(F)(F)F)ccc1N1CCCC1)NC1CCCCC1 C1CCN(C1)[*:1] O=C(CNc1cc(ccc1[*:1])C(F)(F)F)NC1CCCCC1
O=C(CNc1cc(C(F)(F)F)ccc1N1CCCC1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CNc1cc(ccc1N1CCCC1)C(F)(F)F)N[*:1]
NC1=NC(=O)[C@@](Cc2c(F)cccc2Cl)(c2ccccc2)N1 c1ccc(cc1)[*:1] NC1=NC(=O)[C@@](Cc2c(F)cccc2Cl)(N1)[*:1]
CCCCCNC(=O)Nc1ccc(N2CCOC2=O)cc1 CCC[*:1] O=C(NCC[*:1])Nc1ccc(cc1)N1CCOC1=O
CCCCCNC(=O)Nc1ccc(N2CCOC2=O)cc1 CCCCC[*:1] O=C(Nc1ccc(cc1)N1CCOC1=O)N[*:1]
CCCCCNC(=O)Nc1ccc(N2CCOC2=O)cc1 CCCC[*:1] O=C(NC[*:1])Nc1ccc(cc1)N1CCOC1=O
CCCCCNC(=O)Nc1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] CCCCCNC(=O)Nc1ccc(cc1)[*:1]
O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCCc1cccs1 c1csc(c1)C[*:1] O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NC[*:1]
O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCCc1cccs1 c1csc(c1)CC[*:1] O=C(CSc1nc2ccccc2c2nc3ccccc3n12)N[*:1]
O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCCc1cccs1 c1csc(c1)[*:1] O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCC[*:1]
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 CCOC(=O)[*:1] Cc1cccc(c1)C(=O)Oc1ccc(C=C(C#N)[*:1])cc1
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CCOC(=O)/C(C#N)=C/c1ccc(cc1)OC(=O)[*:1]
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(-c4noc(C)n4)c3)CC2)cc1 Cc1nc(no1)[*:1] Cc1ccc(cc1)CNC(=O)C1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(-c4noc(C)n4)c3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(no1)-c1cccc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(-c4noc(C)n4)c3)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1nc(no1)-c1cccc(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
C=CCN1CCN(C(=O)Nc2cccc(Cl)c2C)c2cccnc21 C=CC[*:1] Cc1c(Cl)cccc1NC(=O)N1CCN(c2ncccc21)[*:1]
C=CCN1CCN(C(=O)Nc2cccc(Cl)c2C)c2cccnc21 Cc1c(Cl)cccc1[*:1] C=CCN1CCN(C(=O)N[*:1])c2cccnc21
O=C(Nc1cccc(OC2CCCC2)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 C1CCC(C1)O[*:1] O=C(Nc1cccc(c1)[*:1])N1CC[NH+](CC1)C[C@H]1CCOC1
O=C(Nc1cccc(OC2CCCC2)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 C1CCC(C1)[*:1] O=C(Nc1cccc(c1)O[*:1])N1CC[NH+](CC1)C[C@H]1CCOC1
CC(C)(O)CNC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 CC(C)(O)C[*:1] O=C(N[*:1])[C@H](Sc1cc(F)ccc1F)c1ccccc1
CC(C)(O)CNC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 CC(C)(O)[*:1] O=C(NC[*:1])[C@H](Sc1cc(F)ccc1F)c1ccccc1
CC(C)(O)CNC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 CC(C)(O)CNC(=O)[*:1] Fc1ccc(F)c(c1)S[C@H](c1ccccc1)[*:1]
CC(C)(O)CNC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 Fc1ccc(F)c(c1)[*:1] CC(C)(O)CNC(=O)[C@H](S[*:1])c1ccccc1
CC(C)(O)CNC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(O)CNC(=O)[C@H](Sc1cc(F)ccc1F)[*:1]
COc1ccc(Cl)cc1Nc1oc(C)cc(=O)c1C(C)=O CC(=O)[*:1] COc1ccc(Cl)cc1Nc1oc(C)cc(=O)c1[*:1]
Cc1c(Cn2cnnc2[S@@](C)=O)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])Cn1cnnc1[S@@](C)=O
CC(C)(C)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 CC(C)(C)C(=O)C[*:1] c1ccc(cc1)-n1c(nnc1-c1ccc2OCOc2c1)S[*:1]
CC(C)(C)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 CC(C)(C)[*:1] O=C(CSc1nnc(-c2ccc3OCOc3c2)n1-c1ccccc1)[*:1]
CC(C)(C)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 CC(C)(C)C(=O)[*:1] c1ccc(cc1)-n1c(nnc1-c1ccc2OCOc2c1)SC[*:1]
CC(C)(C)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 c1cc2OCOc2cc1[*:1] CC(C)(C)C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
CC(C)(C)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 CC(C)(C)C(=O)CS[*:1] c1ccc(cc1)-n1c(nnc1[*:1])-c1ccc2OCOc2c1
CC(C)(C)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)C(=O)CSc1nnc(-c2ccc3OCOc3c2)n1[*:1]
COc1cc(-c2noc(CCNc3cc(Cl)ccc3OC)n2)ccn1 COc1cc(ccn1)[*:1] COc1ccc(Cl)cc1NCCc1nc(no1)[*:1]
COc1ncccc1C[C@H](C(=O)[O-])c1ccc(F)cc1 O=C([O-])[*:1] COc1ncccc1C[C@H](c1ccc(F)cc1)[*:1]
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2C)CC(=O)N1 Cc1ccccc1[*:1] CC1NC(=O)C[C@H](C=1C(=O)OC1CCCC1)[*:1]
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2C)CC(=O)N1 C1CCC(C1)[*:1] CC1NC(=O)C[C@@H](C=1C(=O)O[*:1])c1ccccc1C
CCCCN(CCOC)C(=O)c1c(F)cc(Br)cc1F COC[*:1] CCCCN(C[*:1])C(=O)c1c(F)cc(Br)cc1F
CCCCN(CCOC)C(=O)c1c(F)cc(Br)cc1F CCCC[*:1] COCCN(C(=O)c1c(F)cc(Br)cc1F)[*:1]
CCCCN(CCOC)C(=O)c1c(F)cc(Br)cc1F COCC[*:1] CCCCN(C(=O)c1c(F)cc(Br)cc1F)[*:1]
CCCCN(CCOC)C(=O)c1c(F)cc(Br)cc1F CCC[*:1] COCCN(C[*:1])C(=O)c1c(F)cc(Br)cc1F
C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)C(N)=O C[C@@H](C(N)=O)[*:1] O=C(N[*:1])c1cc(on1)-c1cccc(Cl)c1
C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)C(N)=O NC(=O)[*:1] C[C@@H](NC(=O)c1cc(on1)-c1cccc(Cl)c1)[*:1]
Cc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1NC(=O)c1ccncc1 Cc1noc(C)c1[*:1] Cc1ccc(cc1NC(=O)c1ccncc1)[N-]S(=O)(=O)[*:1]
Cc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1NC(=O)c1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)[*:1])[N-]S(=O)(=O)c1c(C)noc1C
Cc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1NC(=O)c1ccncc1 O=C(N[*:1])c1ccncc1 Cc1ccc(cc1[*:1])[N-]S(=O)(=O)c1c(C)noc1C
CCCNS(=O)(=O)c1ccc(N2C(=O)CCCC2=O)cc1 CCCNS(=O)(=O)[*:1] O=C1CCCC(=O)N1c1ccc(cc1)[*:1]
CCCNS(=O)(=O)c1ccc(N2C(=O)CCCC2=O)cc1 CCC[*:1] O=C1CCCC(=O)N1c1ccc(cc1)S(=O)(=O)N[*:1]
CS(=O)(=O)C[C@H](NC(=O)c1cc(F)ccc1O)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)C[C@H](NC(=O)c1cc(F)ccc1O)[*:1]
CS(=O)(=O)C[C@H](NC(=O)c1cc(F)ccc1O)c1ccccc1 CS(=O)(=O)C[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1cc(F)ccc1O
CS(=O)(=O)C[C@H](NC(=O)c1cc(F)ccc1O)c1ccccc1 CS(=O)(=O)[*:1] O=C(N[C@@H](C[*:1])c1ccccc1)c1cc(F)ccc1O
O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)NCC1CC1 C1CC1C[*:1] O=C(CNc1cccc(c1)S(=O)(=O)N1CCCCCC1)N[*:1]
O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)NCC1CC1 O=C(NCC1CC1)[*:1] O=S(=O)(c1cccc(c1)NC[*:1])N1CCCCCC1
O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)NCC1CC1 O=C(C[*:1])NCC1CC1 O=S(=O)(c1cccc(c1)N[*:1])N1CCCCCC1
O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)NCC1CC1 C1CC1[*:1] O=C(CNc1cccc(c1)S(=O)(=O)N1CCCCCC1)NC[*:1]
COc1cc(C(=O)N2CCC[C@H](C(N)=O)C2)ccc1OCc1ccc(Cl)cc1 NC(=O)[*:1] COc1cc(ccc1OCc1ccc(Cl)cc1)C(=O)N1CCC[C@H](C1)[*:1]
COc1cc(C(=O)N2CCC[C@H](C(N)=O)C2)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])C(=O)N1CCC[C@@H](C1)C(N)=O
COc1cc(C(=O)N2CCC[C@H](C(N)=O)C2)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])C(=O)N1CCC[C@@H](C1)C(N)=O
COc1cc(C(=O)N2CCC[C@H](C(N)=O)C2)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])C(=O)N1CCC[C@@H](C1)C(N)=O
COc1ccc(Br)cc1[C@H]1C(C(=O)NCc2ccccc2)=C(C)Nc2ncnn21 COc1ccc(Br)cc1[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)NCc1ccccc1)[*:1]
COc1ccc(Br)cc1[C@H]1C(C(=O)NCc2ccccc2)=C(C)Nc2ncnn21 c1ccc(cc1)C[*:1] COc1ccc(Br)cc1[C@H]1C(C(=O)N[*:1])=C(C)Nc2ncnn21
COc1ccc(Br)cc1[C@H]1C(C(=O)NCc2ccccc2)=C(C)Nc2ncnn21 c1ccc(cc1)[*:1] COc1ccc(Br)cc1[C@H]1C(C(=O)NC[*:1])=C(C)Nc2ncnn21
O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccccc1C(=O)N[*:1]
O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccccc1C(=O)Nc1cccc(c1)[*:1]
O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 O=c1[nH]c(=O)n(c2ccccc12)[*:1] O=C(CC[*:1])Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
C[NH2+]Cc1cc(S(=O)(=O)NC[C@]2(C)CCCO2)c(C)o1 C[C@@]1(CCCO1)[*:1] C[NH2+]Cc1cc(c(C)o1)S(=O)(=O)NC[*:1]
CNC(=O)c1ccc(CNc2cccc(F)c2[N+](=O)[O-])cc1 CNC(=O)[*:1] O=[N+]([O-])c1c(F)cccc1NCc1ccc(cc1)[*:1]
CNC(=O)c1ccc(CNc2cccc(F)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(cc1)CNc1cccc(F)c1[*:1]
CC(C)CNC(=O)CNC(=O)N1Cc2ccccc2N(C)C[C@@H]1C CC(C)C[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)NCC(=O)N[*:1]
CC(C)CNC(=O)CNC(=O)N1Cc2ccccc2N(C)C[C@@H]1C CC(C)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)NCC(=O)NC[*:1]
CC(C)CNC(=O)CNC(=O)N1Cc2ccccc2N(C)C[C@@H]1C CC(C)CNC(=O)C[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)N[*:1]
CC(C)CNC(=O)CNC(=O)N1Cc2ccccc2N(C)C[C@@H]1C CC(C)CNC(=O)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)NC[*:1]
Cn1ncnc1CCNC(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cn1ncnc1CCNC(=O)c1ccc(cc1)[*:1]
Cn1ncnc1CCNC(=O)c1ccc([N+](=O)[O-])cc1 Cn1ncnc1[*:1] O=C(NCC[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1cc(NC(=O)CC[C@@H]2CCCN2C(=O)OC(C)(C)C)sn1 CC(C)(C)[*:1] Cc1cc(NC(=O)CC[C@@H]2CCCN2C(=O)O[*:1])sn1
Cc1cc(NC(=O)CC[C@@H]2CCCN2C(=O)OC(C)(C)C)sn1 Cc1cc(sn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N[*:1]
COC[C@H](C)CNC1=[NH+][C@@H](C(C)C)CS1 CC(C)[*:1] COC[C@H](C)CNC1=[NH+][C@@H](CS1)[*:1]
COC[C@H](C)CNC1=[NH+][C@@H](C(C)C)CS1 COC[*:1] CC(C)[C@H]1CSC(NC[C@@H](C)[*:1])=[NH+]1
COC[C@H](C)CNC1=[NH+][C@@H](C(C)C)CS1 COC[C@H](C)[*:1] CC(C)[C@H]1CSC(NC[*:1])=[NH+]1
CCc1ccc(C[C@H](O)C(C)C)nc1 CC(C)[*:1] CCc1ccc(C[C@H](O)[*:1])nc1
O=C(Nc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)cc1)C(F)(F)F c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[C@@H](C1CC1)[*:1])C(F)(F)F
O=C(Nc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)cc1)C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[C@@H](c1ccccc1)C1CC1)[*:1]
O=C(Nc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)cc1)C(F)(F)F O=C(N[*:1])C(F)(F)F O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(cc1)[*:1]
O=C(Nc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)cc1)C(F)(F)F C1CC1[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[C@@H](c1ccccc1)[*:1])C(F)(F)F
Cc1c(Cl)cccc1OCc1nc(-c2cnn(C)c2)no1 Cn1cc(cn1)[*:1] Cc1c(Cl)cccc1OCc1nc(no1)[*:1]
CC(C)[C@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 CC(C)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1nc(Cc2ccccc2)no1
CC(C)[C@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)[C@H](C)[NH2+][C@@H](C)c1nc(C[*:1])no1
COC(=O)C1(N(C)C(=O)C[C@@H](C)c2cccc(OC)c2)CCCCC1 COC(=O)[*:1] COc1cccc(c1)[C@H](C)CC(=O)N(C)C1(CCCCC1)[*:1]
COC(=O)C1(N(C)C(=O)C[C@@H](C)c2cccc(OC)c2)CCCCC1 COc1cccc(c1)[*:1] COC(=O)C1(CCCCC1)N(C)C(=O)C[C@@H](C)[*:1]
CC(C)n1nccc1NC(=O)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC(C)n1nccc1NC(=O)C(=O)N[*:1]
CC(C)n1nccc1NC(=O)C(=O)NC1CCCCC1 CC(C)[*:1] O=C(Nc1ccnn1[*:1])C(=O)NC1CCCCC1
Cn1c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc2cc(C(F)(F)F)ccc21 FC(F)(F)[*:1] Cn1c(cc2cc(ccc21)[*:1])C(=O)N1CCCC[C@@H]1C[NH+](C)C
O=C(NC[C@H]1C[C@@]12CCc1ccccc12)c1csnn1 c1snnc1[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
CCO[C@@H](C)c1noc(CN2CCN(Cc3ccnn3C)CC2)n1 Cn1nccc1C[*:1] CCO[C@@H](C)c1noc(CN2CCN(CC2)[*:1])n1
CCO[C@@H](C)c1noc(CN2CCN(Cc3ccnn3C)CC2)n1 CCO[*:1] C[C@@H](c1noc(CN2CCN(CC2)Cc2ccnn2C)n1)[*:1]
CCO[C@@H](C)c1noc(CN2CCN(Cc3ccnn3C)CC2)n1 Cn1nccc1[*:1] CCO[C@@H](C)c1noc(CN2CCN(CC2)C[*:1])n1
O=C(c1ccc(-n2cccn2)c(F)c1)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 Fc1cccc(c1)[*:1] O=C(c1ccc(c(F)c1)-n1cccn1)N1CCCC[C@@H]1c1ncc([nH]1)[*:1]
O=C(c1ccc(-n2cccn2)c(F)c1)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 c1cnn(c1)[*:1] O=C(c1ccc(c(F)c1)[*:1])N1CCCC[C@@H]1c1ncc([nH]1)-c1cccc(F)c1
C[C@@H](NC(=O)c1ccc(C[NH3+])o1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)c1ccc(C[NH3+])o1)[*:1]
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2csc(C(C)C)n2)o1 CC(C)[*:1] Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2csc(n2)[*:1])o1
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2csc(C(C)C)n2)o1 CC(C)c1nc(cs1)C[*:1] Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N[*:1])o1
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2csc(C(C)C)n2)o1 Cc1ccc(C[*:1])o1 CC(C)c1nc(cs1)CNC(=O)C[C@@H]1C(=O)NCCN1[*:1]
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2csc(C(C)C)n2)o1 CC(C)c1nc(cs1)[*:1] Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC[*:1])o1
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2csc(C(C)C)n2)o1 Cc1ccc(o1)[*:1] CC(C)c1nc(cs1)CNC(=O)C[C@@H]1C(=O)NCCN1C[*:1]
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1Br CCOC(=O)[*:1] CC1NC(=S)N[C@@H](C=1[*:1])c1ccccc1Br
O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCOCC1)c1cccc(c1)[*:1]
CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCN(C2)[*:1])cc1
CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 CCO[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 CCOc1ccc(cc1)[*:1] O=C(C=C[*:1])NC[C@@H]1CCCN(C1)c1ncccn1
Cc1noc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)n1 N#Cc1ccc(cc1)[*:1] Cc1noc(n1)[C@H]1CCCN(C1)C(=O)C(=O)N[*:1]
Cc1noc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)n1 Cc1noc(n1)[*:1] N#Cc1ccc(cc1)NC(=O)C(=O)N1CCC[C@@H](C1)[*:1]
CSCC(=O)N1CCCCC[C@H]1c1ccccc1 CSC[*:1] O=C(N1CCCCC[C@H]1c1ccccc1)[*:1]
CSCC(=O)N1CCCCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CSCC(=O)N1CCCCC[C@@H]1[*:1]
C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc(S(C)(=O)=O)nc1 CS(=O)(=O)[*:1] C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc(nc1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCCC(=O)N(C)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)NCCC(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCCC(=O)N(C)C[*:1]
CC(C)(C)C(=O)N1CCC(=NOCC(=O)Nc2ccccc2C(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)(C)c1ccccc1NC(=O)CON=C1CCN(CC1)C(=O)[*:1]
CC(C)(C)C(=O)N1CCC(=NOCC(=O)Nc2ccccc2C(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)(C)C(=O)N1CCC(CC1)=NOCC(=O)Nc1ccccc1[*:1]
Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1 NC(=O)CC[*:1] Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1 NC(=O)C[*:1] Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C1)C[*:1]
Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1 NC(=O)[*:1] Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](CC[*:1])C1
COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1OCC(N)=O NC(=O)C[*:1] COc1ccc(cc1O[*:1])NC(=O)c1cc2cc(Cl)ccc2[nH]1
COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1OCC(N)=O NC(=O)CO[*:1] COc1ccc(cc1[*:1])NC(=O)c1cc2cc(Cl)ccc2[nH]1
COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1OCC(N)=O NC(=O)[*:1] COc1ccc(cc1OC[*:1])NC(=O)c1cc2cc(Cl)ccc2[nH]1
NC(=O)Cc1nc(=O)c(-c2ccc(Cl)cc2)c([O-])[nH]1 NC(=O)[*:1] O=c1nc(C[*:1])[nH]c([O-])c1-c1ccc(Cl)cc1
NC(=O)Cc1nc(=O)c(-c2ccc(Cl)cc2)c([O-])[nH]1 NC(=O)C[*:1] O=c1nc([nH]c([O-])c1-c1ccc(Cl)cc1)[*:1]
CSc1cccc(N2C[C@H](C(=O)N3CCc4ccccc43)CC2=O)c1 CSc1cccc(c1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCc2ccccc21
CC[C@@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)[*:1]
CC[C@@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)c1ccc(C)c(F)c1 O=C(N[*:1])C1CCCC1 CC[C@@H](NC(=O)C[C@@H](C)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)c1ccc(C)c(F)c1 C1CCC(C1)[*:1] CC[C@@H](NC(=O)C[C@@H](C)NC(=O)[*:1])c1ccc(C)c(F)c1
C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 C[C@@H]([NH3+])CCC[*:1] C[C@@H](C(=O)N[C@H]1C=C[C@H](C1)C(=O)[O-])[*:1]
C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 C[C@@H]([NH3+])[*:1] C[C@H](CCC[*:1])C(=O)N[C@H]1C=C[C@H](C1)C(=O)[O-]
C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 C[C@@H]([NH3+])C[*:1] C[C@H](CC[*:1])C(=O)N[C@H]1C=C[C@H](C1)C(=O)[O-]
C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 C[C@@H]([NH3+])CC[*:1] C[C@H](C[*:1])C(=O)N[C@H]1C=C[C@H](C1)C(=O)[O-]
CC(C)(C)OC(=O)C1CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 CC(C)(C)[*:1] O=C(O[*:1])C1CCC(CC1)NC(=O)N1CCN(CC1)c1cccc[nH+]1
CC(C)(C)OC(=O)C1CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 CC(C)(C)OC(=O)[*:1] O=C(NC1CCC(CC1)[*:1])N1CCN(CC1)c1cccc[nH+]1
CCc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1 CCc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-c1noc(n1)[*:1]
Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1ccc(Cl)s1)N3 Clc1ccc(s1)[*:1] Cc1cc(C)c2c3N[C@H](NC(=O)c3sc2n1)[*:1]
CC[C@H]1CCC[C@H]([NH2+][C@@H](CO)C(C)C)CC1 CC(C)[*:1] CC[C@H]1CCC[C@@H](CC1)[NH2+][C@@H](CO)[*:1]
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C(=O)Nc1cccc(F)c1 Clc1ccc(cc1)[*:1] CO[C@H]([C@H](C)NC(=O)C(=O)Nc1cccc(F)c1)[*:1]
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C(=O)N[*:1]
CCOCC(=O)NNC(=O)c1ccc(C(=O)OC)cc1 CCO[*:1] COC(=O)c1ccc(cc1)C(=O)NNC(=O)C[*:1]
CCOCC(=O)NNC(=O)c1ccc(C(=O)OC)cc1 COC(=O)[*:1] CCOCC(=O)NNC(=O)c1ccc(cc1)[*:1]
CCOCC(=O)NNC(=O)c1ccc(C(=O)OC)cc1 CCOC[*:1] COC(=O)c1ccc(cc1)C(=O)NNC(=O)[*:1]
O=C(Nc1nnc(C2CCCCC2)s1)c1ccncc1 C1CCC(CC1)[*:1] O=C(Nc1nnc(s1)[*:1])c1ccncc1
O=C(Nc1nnc(C2CCCCC2)s1)c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1nnc(s1)C1CCCCC1)[*:1]
COC[C@@](C)(C#N)NC(=O)c1ccnc(OC2CCCCC2)c1 COC[*:1] C[C@@](C#N)(NC(=O)c1ccnc(c1)OC1CCCCC1)[*:1]
COC[C@@](C)(C#N)NC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)O[*:1] COC[C@@](C)(C#N)NC(=O)c1ccnc(c1)[*:1]
COC[C@@](C)(C#N)NC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] COC[C@@](C)(C#N)NC(=O)c1ccnc(c1)O[*:1]
O=C1COc2c(cccc2C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)N1 c1ccc(cc1)C[*:1] O=C1COc2c(cccc2C(=O)N[C@@H]2CCC[C@@H]2[*:1])N1
O=C1COc2c(cccc2C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)N1 c1ccc(cc1)[*:1] O=C1COc2c(cccc2C(=O)N[C@@H]2CCC[C@H]2C[*:1])N1
Nc1nc(N2CCCCCC2)nc(Nc2ccccc2F)c1[N+](=O)[O-] Fc1ccccc1[*:1] Nc1nc(nc(N[*:1])c1[N+](=O)[O-])N1CCCCCC1
Nc1nc(N2CCCCCC2)nc(Nc2ccccc2F)c1[N+](=O)[O-] Fc1ccccc1N[*:1] Nc1nc(nc(c1[N+](=O)[O-])[*:1])N1CCCCCC1
Nc1nc(N2CCCCCC2)nc(Nc2ccccc2F)c1[N+](=O)[O-] C1CCCN(CC1)[*:1] Nc1nc(nc(Nc2ccccc2F)c1[N+](=O)[O-])[*:1]
Nc1nc(N2CCCCCC2)nc(Nc2ccccc2F)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(nc(Nc2ccccc2F)c1[*:1])N1CCCCCC1
O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2c3c(C4CC4)cc(C(F)(F)F)nc3nn12 O=C([O-])[*:1] FC(F)(F)c1cc(c2c(n1)nn1c(cc(nc21)-c1ccc(Cl)cc1)[*:1])C1CC1
O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2c3c(C4CC4)cc(C(F)(F)F)nc3nn12 FC(F)(F)[*:1] O=C([O-])c1cc(nc2c3c(cc(nc3nn12)[*:1])C1CC1)-c1ccc(Cl)cc1
O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2c3c(C4CC4)cc(C(F)(F)F)nc3nn12 C1CC1[*:1] O=C([O-])c1cc(nc2c3c(cc(nc3nn12)C(F)(F)F)[*:1])-c1ccc(Cl)cc1
O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2c3c(C4CC4)cc(C(F)(F)F)nc3nn12 Clc1ccc(cc1)[*:1] O=C([O-])c1cc(nc2c3c(cc(nc3nn12)C(F)(F)F)C1CC1)[*:1]
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(CC#N)cc2)c(Cl)c1 N#CC[*:1] Cc1ccc(NC(=O)[C@H](C)Nc2ccc(cc2)[*:1])c(Cl)c1
Cc1nc(CCNC(=O)N2CC[C@H](C)[C@H](O)C2)cs1 Cc1nc(cs1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCC[*:1]
C[S@](=O)CCNC(=O)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] C[S@](=O)CCNC(=O)N1CCN(CC1)[*:1]
COC(=O)c1cncc(NC[C@](C)(O)CC(C)C)n1 COC(=O)[*:1] CC(C)C[C@@](C)(O)CNc1cncc(n1)[*:1]
COC(=O)c1cncc(NC[C@](C)(O)CC(C)C)n1 CC(C)[*:1] COC(=O)c1cncc(n1)NC[C@](C)(O)C[*:1]
COC(=O)c1cncc(NC[C@](C)(O)CC(C)C)n1 CC(C)C[*:1] COC(=O)c1cncc(n1)NC[C@](C)(O)[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)c1cn(Cc2cccnc2)nn1 Fc1ccccc1[*:1] C[C@@H](N(C)C(=O)c1cn(Cc2cccnc2)nn1)[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)C[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)c1cn(nn1)[*:1]
C[C@@H](c1ccccc1F)N(C)C(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)[*:1] C[C@@H](c1ccccc1F)N(C)C(=O)c1cn(C[*:1])nn1
O=c1ccccn1Cc1nn(-c2ccccc2)c2c1CCC2 O=c1ccccn1[*:1] c1ccc(cc1)-n1nc(C[*:1])c2CCCc21
O=c1ccccn1Cc1nn(-c2ccccc2)c2c1CCC2 c1ccc(cc1)[*:1] O=c1ccccn1Cc1nn(c2CCCc12)[*:1]
O=C(Cn1ccnc1)N1CCC(c2nccn2Cc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(Cn1ccnc1)N1CCC(CC1)c1nccn1C[*:1]
O=C(Cn1ccnc1)N1CCC(c2nccn2Cc2ccccn2)CC1 c1cn(cn1)[*:1] O=C(C[*:1])N1CCC(CC1)c1nccn1Cc1ccccn1
O=C(Cn1ccnc1)N1CCC(c2nccn2Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 O=C(Cn1ccnc1)N1CCC(CC1)c1nccn1[*:1]
O=C(Cn1ccnc1)N1CCC(c2nccn2Cc2ccccn2)CC1 c1cn(cn1)C[*:1] O=C(N1CCC(CC1)c1nccn1Cc1ccccn1)[*:1]
CCC(C)(C)N(C)C(=O)c1ccc(C)cc1 CCC(C)(C)[*:1] Cc1ccc(cc1)C(=O)N(C)[*:1]
CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)n1c[nH+]c(C)c1C CCOC(=O)[*:1] CCc1cc(c(NC(=O)[C@H](C)n2c[nH+]c(C)c2C)s1)[*:1]
CNC(=O)c1cccc(C[S@](=O)[C@H](C)C(=O)Nc2c(C)cccc2C)c1 CNC(=O)[*:1] Cc1cccc(C)c1NC(=O)[C@@H](C)[S@@](=O)Cc1cccc(c1)[*:1]
CNC(=O)c1cccc(C[S@](=O)[C@H](C)C(=O)Nc2c(C)cccc2C)c1 Cc1cccc(C)c1[*:1] CNC(=O)c1cccc(c1)C[S@](=O)[C@H](C)C(=O)N[*:1]
CCOc1nc(N[C@@H]2CCC[C@@H](C)C2)ccc1N CCO[*:1] C[C@@H]1CCC[C@H](C1)Nc1ccc(N)c(n1)[*:1]
CC(=O)c1ccc(NCc2nncn2C2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] CC(=O)c1ccc(NCc2nncn2[*:1])c(c1)[N+](=O)[O-]
CC(=O)c1ccc(NCc2nncn2C2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(NCc2nncn2C2CC2)c(c1)[*:1]
CC(=O)c1ccc(NCc2nncn2C2CC2)c([N+](=O)[O-])c1 CC(=O)[*:1] O=[N+]([O-])c1cc(ccc1NCc1nncn1C1CC1)[*:1]
CCC(=O)[C@H](C)Sc1nc(-c2ccc(OC)cc2OC)n[nH]1 CCC(=O)[*:1] COc1ccc(-c2n[nH]c(n2)S[C@@H](C)[*:1])c(c1)OC
Cc1noc([C@@H]2CCCN(S(=O)(=O)CC3CCCCC3)C2)n1 C1CCC(CC1)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)S(=O)(=O)C[*:1]
Cc1noc([C@@H]2CCCN(S(=O)(=O)CC3CCCCC3)C2)n1 C1CCC(CC1)C[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
Cc1noc([C@@H]2CCCN(S(=O)(=O)CC3CCCCC3)C2)n1 Cc1noc(n1)[*:1] O=S(=O)(CC1CCCCC1)N1CCC[C@H](C1)[*:1]
CCCOc1nc(Cl)nc(NCc2c(C)nn(C)c2C)n1 CCCO[*:1] Cc1nn(C)c(C)c1CNc1nc(Cl)nc(n1)[*:1]
CCCOc1nc(Cl)nc(NCc2c(C)nn(C)c2C)n1 CCC[*:1] Cc1nn(C)c(C)c1CNc1nc(Cl)nc(n1)O[*:1]
CCN[C@H](C)c1cc[nH+]c(N(C)C[C@H](C)CC)c1 CC[C@@H](C)C[*:1] CCN[C@H](C)c1cc[nH+]c(c1)N(C)[*:1]
CCN[C@H](C)c1cc[nH+]c(N(C)C[C@H](C)CC)c1 CC[C@@H](C)[*:1] CCN[C@H](C)c1cc[nH+]c(c1)N(C)C[*:1]
CCN[C@H](C)c1cc[nH+]c(N(C)C[C@H](C)CC)c1 CCN[C@H](C)[*:1] CC[C@@H](C)CN(C)c1cc(cc[nH+]1)[*:1]
CCN[C@H](C)c1cc[nH+]c(N(C)C[C@H](C)CC)c1 CCN[*:1] CC[C@@H](C)CN(C)c1cc(cc[nH+]1)[C@@H](C)[*:1]
O=C(CNC(=O)c1ccccc1)Nc1cccc(OCc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] O=C(CNC(=O)c1ccccc1)Nc1cccc(c1)OC[*:1]
O=C(CNC(=O)c1ccccc1)Nc1cccc(OCc2ccc(F)cc2)c1 c1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])Nc1cccc(c1)OCc1ccc(F)cc1
O=C(CNC(=O)c1ccccc1)Nc1cccc(OCc2ccc(F)cc2)c1 Fc1ccc(cc1)C[*:1] O=C(CNC(=O)c1ccccc1)Nc1cccc(c1)O[*:1]
O=C(CNC(=O)c1ccccc1)Nc1cccc(OCc2ccc(F)cc2)c1 O=C(N[*:1])c1ccccc1 O=C(C[*:1])Nc1cccc(c1)OCc1ccc(F)cc1
O=C(CNC(=O)c1ccccc1)Nc1cccc(OCc2ccc(F)cc2)c1 Fc1ccc(cc1)CO[*:1] O=C(CNC(=O)c1ccccc1)Nc1cccc(c1)[*:1]
Cc1cc2n(C[C@@H](O)c3ccc(Cl)cc3)c(C)cc(=O)n2n1 Clc1ccc(cc1)[*:1] Cc1cc2n(C[C@@H](O)[*:1])c(C)cc(=O)n2n1
CCc1nc(-c2cccc(NC(=O)[C@H](C)Oc3ccccc3)c2)no1 c1ccc(cc1)O[*:1] CCc1nc(no1)-c1cccc(c1)NC(=O)[C@H](C)[*:1]
CCc1nc(-c2cccc(NC(=O)[C@H](C)Oc3ccccc3)c2)no1 c1ccc(cc1)[*:1] CCc1nc(no1)-c1cccc(c1)NC(=O)[C@H](C)O[*:1]
CCc1nc(-c2cccc(NC(=O)[C@H](C)Oc3ccccc3)c2)no1 CCc1nc(no1)[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1cccc(c1)[*:1]
CCCCNC(=O)Nc1cccc(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] CCCCNC(=O)Nc1cccc(c1)[*:1]
CCCCNC(=O)Nc1cccc(C(=O)N2CCCC2)c1 CCCC[*:1] O=C(Nc1cccc(c1)C(=O)N1CCCC1)N[*:1]
CCCCNC(=O)Nc1cccc(C(=O)N2CCCC2)c1 CCC[*:1] O=C(NC[*:1])Nc1cccc(c1)C(=O)N1CCCC1
CCSc1ccccc1C(=O)Nc1nc2cc(C)cc(C)c2s1 CCS[*:1] Cc1cc(C)c2sc(nc2c1)NC(=O)c1ccccc1[*:1]
COc1cccc(-c2cnn3c2NC(=O)[C@@H]3CC(=O)Nc2ccc(C(C)=O)cc2)c1 COc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)NC(=O)C[C@H]1C(=O)Nc2c(cnn21)[*:1]
COc1cccc(-c2cnn3c2NC(=O)[C@@H]3CC(=O)Nc2ccc(C(C)=O)cc2)c1 CC(=O)[*:1] COc1cccc(c1)-c1cnn2c1NC(=O)[C@@H]2CC(=O)Nc1ccc(cc1)[*:1]
COc1cccc(-c2cnn3c2NC(=O)[C@@H]3CC(=O)Nc2ccc(C(C)=O)cc2)c1 CC(=O)c1ccc(cc1)[*:1] COc1cccc(c1)-c1cnn2c1NC(=O)[C@@H]2CC(=O)N[*:1]
C[C@H]1CN([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C[C@H](C)O1 Clc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)[C@@H](C)c1nc(no1)[*:1]
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] Cc1nc(ccc1C(=O)Nc1cccc(c1)[*:1])C(F)(F)F
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(S(N)(=O)=O)c1 FC(F)(F)[*:1] Cc1nc(ccc1C(=O)Nc1cccc(c1)S(N)(=O)=O)[*:1]
CCC(=O)N1CC[C@@H](NC(=O)Nc2ccnn2Cc2ccccn2)C1 c1ccc(C[*:1])nc1 CCC(=O)N1CC[C@H](C1)NC(=O)Nc1ccnn1[*:1]
CCC(=O)N1CC[C@@H](NC(=O)Nc2ccnn2Cc2ccccn2)C1 c1ccc(nc1)[*:1] CCC(=O)N1CC[C@H](C1)NC(=O)Nc1ccnn1C[*:1]
CCOC(=O)c1ccc(N2C(=O)[C@H]3Cc4cc(OC)c(OC)cc4CN3C2=S)cc1 CCOC(=O)[*:1] COc1cc2C[C@@H]3C(=O)N(C(=S)N3Cc2cc1OC)c1ccc(cc1)[*:1]
CC#CC[C@H]([NH3+])C1(N(C)C)CCCCC1 CN(C)[*:1] CC#CC[C@H]([NH3+])C1(CCCCC1)[*:1]
CC#CC[C@H]([NH3+])C1(N(C)C)CCCCC1 CC#CC[*:1] CN(C)C1(CCCCC1)[C@@H]([NH3+])[*:1]
CC#CC[C@H]([NH3+])C1(N(C)C)CCCCC1 CC#C[*:1] CN(C)C1(CCCCC1)[C@@H]([NH3+])C[*:1]
CC[C@@H](C)COC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 Fc1cccc(c1)[*:1] CC[C@@H](C)COC(=O)c1c(N)n(c2nc3ccccc3nc12)[*:1]
O=C(NC(Cc1ccccc1)Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 c1ccc(cc1)C[*:1] O=C(NC(Cc1ccccc1)[*:1])C(=O)c1c[nH]c2ccccc12
O=C(NC(Cc1ccccc1)Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(NC(Cc1ccccc1)Cc1ccccc1)C(=O)[*:1]
O=C(NC(Cc1ccccc1)Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] O=C(NC(Cc1ccccc1)C[*:1])C(=O)c1c[nH]c2ccccc12
C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc(F)cc1Cl OCCC[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1ccc(F)cc1Cl
C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc(F)cc1Cl OCC[*:1] C[C@@H](C[*:1])[NH2+][C@@H](C)c1ccc(F)cc1Cl
COc1ccc(CN(C)C(=O)Nc2cccc(C)c2)cc1F Cc1cccc(c1)[*:1] COc1ccc(cc1F)CN(C)C(=O)N[*:1]
O=C(NC[C@H](O)c1c(F)cccc1F)c1ccc[nH]c1=O O=c1[nH]cccc1[*:1] O=C(NC[C@H](O)c1c(F)cccc1F)[*:1]
CCCn1nc(C)c(CNc2cccc(NC(C)=O)c2C)c1C CC(=O)N[*:1] CCCn1nc(C)c(CNc2cccc(c2C)[*:1])c1C
CCCn1nc(C)c(CNc2cccc(NC(C)=O)c2C)c1C CCC[*:1] CC(=O)Nc1cccc(NCc2c(C)nn(c2C)[*:1])c1C
CCn1nc(C)c(CN2CCO[C@H](CC(=O)OC)C2)c1C COC(=O)[*:1] CCn1nc(C)c(CN2CCO[C@@H](C2)C[*:1])c1C
CCn1nc(C)c(CN2CCO[C@H](CC(=O)OC)C2)c1C COC(=O)C[*:1] CCn1nc(C)c(CN2CCO[C@H](C2)[*:1])c1C
C=CCSc1ncnc2scc(-c3ccc(C)cc3)c12 C=CC[*:1] Cc1ccc(cc1)-c1csc2ncnc(S[*:1])c12
C=CCSc1ncnc2scc(-c3ccc(C)cc3)c12 C=CCS[*:1] Cc1ccc(cc1)-c1csc2ncnc(c12)[*:1]
CC(=O)Nc1cccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)c1 CC(=O)N[*:1] Cc1cc2ncn(CCC(=O)Nc3cccc(c3)[*:1])c2cc1C
Cc1cc(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)N[*:1]
Cc1cc(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)n(C)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)CN2C(=O)N[C@@H](C2=O)[*:1])n(C)n1
Cc1cc(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)n(C)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CN2C(=O)N[C@@H](C[*:1])C2=O)n(C)n1
CCNc1ncc(C(=O)N2CCc3cc(F)ccc3C2)s1 CCN[*:1] O=C(c1cnc(s1)[*:1])N1CCc2cc(F)ccc2C1
O=C1NC(=O)[C@@](c2cccnc2)(C2CCN(c3ncccc3Cl)CC2)N1 Clc1cccnc1[*:1] O=C1NC(=O)[C@@](N1)(c1cccnc1)C1CCN(CC1)[*:1]
O=C1NC(=O)[C@@](c2cccnc2)(C2CCN(c3ncccc3Cl)CC2)N1 c1cncc(c1)[*:1] O=C1NC(=O)[C@](N1)(C1CCN(CC1)c1ncccc1Cl)[*:1]
O=C(N[C@H](CO)c1ccco1)c1ccc2c(c1)COCO2 c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1ccc2OCOCc2c1
CCc1nn(C)cc1CNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C CC(C)[*:1] CCc1nn(C)cc1CNC(=O)[C@@H](NC(=O)c1ccccc1F)[*:1]
CCc1nn(C)cc1CNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C Fc1ccccc1[*:1] CCc1nn(C)cc1CNC(=O)[C@@H](NC(=O)[*:1])C(C)C
CCc1nn(C)cc1CNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C CCc1nn(C)cc1[*:1] CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[*:1]
C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2n1 c1ccc2c(c[nH]c2c1)[*:1] C=CCn1c(nnc1-c1ccc2ccccc2n1)SCC(=O)[*:1]
C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2n1 C=CC[*:1] O=C(CSc1nnc(-c2ccc3ccccc3n2)n1[*:1])c1c[nH]c2ccccc12
C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2n1 c1ccc2nc(ccc2c1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)c1c[nH]c2ccccc12
Cc1ccc(OCC(=O)NCc2ccnc(OC3CCCC3)c2)cc1 Cc1ccc(cc1)O[*:1] O=C(C[*:1])NCc1ccnc(c1)OC1CCCC1
Cc1ccc(OCC(=O)NCc2ccnc(OC3CCCC3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])NCc1ccnc(c1)OC1CCCC1
Cc1ccc(OCC(=O)NCc2ccnc(OC3CCCC3)c2)cc1 C1CCC(C1)O[*:1] Cc1ccc(cc1)OCC(=O)NCc1ccnc(c1)[*:1]
Cc1ccc(OCC(=O)NCc2ccnc(OC3CCCC3)c2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)OCC(=O)NCc1ccnc(c1)O[*:1]
Cc1csc([C@H](C)NC(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)N[C@H]1C=C[C@H](C1)C(=O)[O-])[*:1]
Cc1csc([C@H](C)NC(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)n1 O=C([O-])[*:1] Cc1csc(n1)[C@H](C)NC(=O)N[C@H]1C=C[C@@H](C1)[*:1]
Cc1ccc([C@H](C)NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)o1 C1CC1[*:1] Cc1ccc(o1)[C@H](C)NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
Cc1ccc([C@H](C)NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)Cc1ccc(cc1)NC(=O)C1CC1)[*:1]
Cc1ccc([C@H](C)NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)o1 O=C(N[*:1])C1CC1 Cc1ccc(o1)[C@H](C)NC(=O)Cc1ccc(cc1)[*:1]
C[C@H]1CCC[C@@](CNC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)([NH+](C)C)C1 NS(=O)(=O)[*:1] C[C@H]1CCC[C@](CNC(=O)N[C@@H](C)c2cccc(c2)[*:1])(C1)[NH+](C)C
Cc1cccc(N2CCN(C(=O)c3sc(Cc4ccc(F)cc4)nc3C)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)c1sc(C[*:1])nc1C
Cc1cccc(N2CCN(C(=O)c3sc(Cc4ccc(F)cc4)nc3C)CC2)c1 Fc1ccc(cc1)C[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)c1sc(nc1C)[*:1]
Cc1cccc(N2CCN(C(=O)c3sc(Cc4ccc(F)cc4)nc3C)CC2)c1 Cc1cccc(c1)[*:1] Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCN(CC1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 Clc1ccc(cc1)[*:1] O=S(=O)(N1CC[NH+](CC1)C1CCCCC1)[*:1]
O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](CC1)[*:1]
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NC[C@@H](C)Cc2cccs2)CC1 CC(C)[*:1] C[C@H](CNC(=O)N1CCC(CC1)C(=O)N[C@@H](C)[*:1])Cc1cccs1
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NC[C@@H](C)Cc2cccs2)CC1 CC(C)[C@H](C)NC(=O)[*:1] C[C@H](CNC(=O)N1CCC(CC1)[*:1])Cc1cccs1
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NC[C@@H](C)Cc2cccs2)CC1 CC(C)[C@H](C)[*:1] C[C@H](CNC(=O)N1CCC(CC1)C(=O)N[*:1])Cc1cccs1
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NC[C@@H](C)Cc2cccs2)CC1 C[C@@H](Cc1cccs1)[*:1] CC(C)[C@H](C)NC(=O)C1CCN(CC1)C(=O)NC[*:1]
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NC[C@@H](C)Cc2cccs2)CC1 c1csc(c1)C[*:1] CC(C)[C@H](C)NC(=O)C1CCN(CC1)C(=O)NC[C@@H](C)[*:1]
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NC[C@@H](C)Cc2cccs2)CC1 c1csc(c1)[*:1] CC(C)[C@H](C)NC(=O)C1CCN(CC1)C(=O)NC[C@@H](C)C[*:1]
NC(=O)c1ccc(COc2ccc(Cl)c(Cl)c2)cc1 NC(=O)[*:1] Clc1ccc(cc1Cl)OCc1ccc(cc1)[*:1]
CCc1ccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)S(=O)(=O)NCCn1nc(ccc1=O)[*:1]
CCc1ccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1 CCc1ccc(cc1)[*:1] O=c1ccc(nn1CCNS(=O)(=O)[*:1])-c1ccccc1
COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2cccc(F)c2)cc1OC Fc1cccc(c1)[*:1] COc1ccc(cc1OC)CC[C@@H]1CCCCN1C(=O)N[*:1]
Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cccc(C(F)(F)F)c3)s2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)NC(=O)c1nnc(s1)/C(Cl)=C/c1cccc(c1)[*:1]
Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cccc(C(F)(F)F)c3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)/C(Cl)=C/c1cccc(c1)C(F)(F)F
Cc1cncc(NC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1ccc(F)c(F)c1
Cc1cncc(NC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 Fc1ccc(cc1F)[*:1] Cc1cncc(c1)NC(=O)N1CCN(CC1)C(=O)[*:1]
CCc1ccc(CN2CC[NH+](CC(C)(C)CCC#N)CC2)s1 CCc1ccc(s1)[*:1] CC(C)(CCC#N)C[NH+]1CCN(CC1)C[*:1]
CCc1ccc(CN2CC[NH+](CC(C)(C)CCC#N)CC2)s1 CC(C)(CCC#N)[*:1] CCc1ccc(CN2CC[NH+](CC2)C[*:1])s1
CCc1ccc(CN2CC[NH+](CC(C)(C)CCC#N)CC2)s1 N#CCC[*:1] CCc1ccc(CN2CC[NH+](CC2)CC(C)(C)[*:1])s1
CCc1ccc(CN2CC[NH+](CC(C)(C)CCC#N)CC2)s1 N#CC[*:1] CCc1ccc(CN2CC[NH+](CC2)CC(C)(C)C[*:1])s1
CN(Cc1[nH+]ccn1C)C(=O)c1cccc(SCC#N)c1 N#CCS[*:1] CN(Cc1[nH+]ccn1C)C(=O)c1cccc(c1)[*:1]
CN(Cc1[nH+]ccn1C)C(=O)c1cccc(SCC#N)c1 N#CC[*:1] CN(Cc1[nH+]ccn1C)C(=O)c1cccc(c1)S[*:1]
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O N#Cc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O)[*:1]
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)[*:1])C1=O)c1ccc(C#N)cc1
NC(=S)c1ccc(C(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)cc1 NC(=S)[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1ccc(cc1)[*:1]
CCOC(=O)CC[C@H]1CCCCN1C(=O)C1C[C@@H](C)O[C@H](C)C1 CCOC(=O)CC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCCC[C@@H]1[*:1]
CCOC(=O)CC[C@H]1CCCCN1C(=O)C1C[C@@H](C)O[C@H](C)C1 CCOC(=O)C[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCCC[C@@H]1C[*:1]
CCOC(=O)CC[C@H]1CCCCN1C(=O)C1C[C@@H](C)O[C@H](C)C1 CCOC(=O)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCCC[C@@H]1CC[*:1]
CC(=O)N1c2ccccc2CC[C@@H]1C(C)C CC(C)[*:1] CC(=O)N1c2ccccc2CC[C@H]1[*:1]
COCc1csc(NC(=O)NC[C@@](C)(O)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] COCc1csc(n1)NC(=O)NC[C@@](C)(O)[*:1]
COCc1csc(NC(=O)NC[C@@](C)(O)c2ccc(F)cc2)n1 COC[*:1] C[C@@](O)(CNC(=O)Nc1nc(cs1)[*:1])c1ccc(F)cc1
CN(Cc1ccccc1)C(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 c1ccc(cc1)C[*:1] CN(C(=O)C[NH+]1CCC(CC1)OCc1ccc(F)cc1)[*:1]
CN(Cc1ccccc1)C(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)C[NH+]1CCC(CC1)OC[*:1]
CN(Cc1ccccc1)C(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] CN(Cc1ccccc1)C(=O)C[NH+]1CCC(CC1)O[*:1]
CN(Cc1ccccc1)C(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)C[NH+]1CCC(CC1)OCc1ccc(F)cc1
CN(Cc1ccccc1)C(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] CN(Cc1ccccc1)C(=O)C[NH+]1CCC(CC1)[*:1]
CCOc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1 Clc1cccc(c1)[*:1] CCOc1ccc(cc1)[C@@H]1CC(=O)N2CN(CSC2=C1C#N)[*:1]
CCOc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1 CCO[*:1] N#CC1=C2SCN(CN2C(=O)C[C@H]1c1ccc(cc1)[*:1])c1cccc(Cl)c1
CCOc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1 CCOc1ccc(cc1)[*:1] N#CC1=C2SCN(CN2C(=O)C[C@H]1[*:1])c1cccc(Cl)c1
CCc1cccc(CC)c1NC(=O)C[NH2+]C1CC1 C1CC1[*:1] CCc1cccc(CC)c1NC(=O)C[NH2+][*:1]
CC[NH2+][C@@H]([C@@H]1CCOC1)C(C)(C)[NH+](C)C C1C[C@H](CO1)[*:1] CC[NH2+][C@@H](C(C)(C)[NH+](C)C)[*:1]
Cc1cccc(OCCNC(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)c1 Cc1cccc(c1)OCC[*:1] O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)N[*:1]
Cc1cccc(OCCNC(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)c1 c1csc(c1)[*:1] Cc1cccc(c1)OCCNC(=O)Cn1nc(c2ccccc2c1=O)[*:1]
Cc1cccc(OCCNC(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)c1 Cc1cccc(c1)OC[*:1] O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)NC[*:1]
Cc1cccc(OCCNC(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)c1 Cc1cccc(c1)O[*:1] O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)NCC[*:1]
Cc1cccc(OCCNC(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)c1 Cc1cccc(c1)[*:1] O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)NCCO[*:1]
N#Cc1cc([N+](=O)[O-])cnc1Oc1csc(C(=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1cc(cnc1Oc1csc(c1)C(=O)[O-])[*:1]
N#Cc1cc([N+](=O)[O-])cnc1Oc1csc(C(=O)[O-])c1 O=C([O-])[*:1] N#Cc1cc(cnc1Oc1csc(c1)[*:1])[N+](=O)[O-]
COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)cc1 Cc1ccc(OC[*:1])c(C)c1 COc1ccc(cc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)cc1 Cc1ccc(c(C)c1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1CCO[*:1]
COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)cc1 COc1ccc(cc1)[*:1] Cc1ccc(OCCn2c(nc3ccccc32)[C@@H]2CC(=O)N(C2)[*:1])c(C)c1
COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)cc1 Cc1ccc(O[*:1])c(C)c1 COc1ccc(cc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1CC[*:1]
COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)cc1 Cc1ccc(OCC[*:1])c(C)c1 COc1ccc(cc1)N1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
O=S(=O)(c1ccccc1F)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1 Fc1ccccc1[*:1] O=S(=O)(N1CCN(CC1)c1nc2cc(Br)ccc2n2cccc12)[*:1]
O=C(NCc1ccccc1OC1CCCCC1)c1cc2c(cn1)[nH]c1ncccc12 C1CCC(CC1)[*:1] O=C(NCc1ccccc1O[*:1])c1cc2c(cn1)[nH]c1ncccc12
O=C(NCc1ccccc1OC1CCCCC1)c1cc2c(cn1)[nH]c1ncccc12 C1CCC(CC1)O[*:1] O=C(NCc1ccccc1[*:1])c1cc2c(cn1)[nH]c1ncccc12
O=C(Cc1csc(Nc2ccccn2)n1)NCC(F)(F)F FC(F)(F)[*:1] O=C(Cc1csc(n1)Nc1ccccn1)NC[*:1]
O=C(Cc1csc(Nc2ccccn2)n1)NCC(F)(F)F c1ccc(nc1)[*:1] O=C(Cc1csc(n1)N[*:1])NCC(F)(F)F
O=C(Cc1csc(Nc2ccccn2)n1)NCC(F)(F)F FC(F)(F)C[*:1] O=C(Cc1csc(n1)Nc1ccccn1)N[*:1]
O=C(Cc1csc(Nc2ccccn2)n1)NCC(F)(F)F c1ccc(nc1)N[*:1] O=C(Cc1csc(n1)[*:1])NCC(F)(F)F
COc1ccc2nc(NCCCC(N)=O)sc2c1 NC(=O)CC[*:1] COc1ccc2nc(NC[*:1])sc2c1
COc1ccc2nc(NCCCC(N)=O)sc2c1 NC(=O)CCC[*:1] COc1ccc2nc(N[*:1])sc2c1
COc1ccc2nc(NCCCC(N)=O)sc2c1 NC(=O)C[*:1] COc1ccc2nc(NCC[*:1])sc2c1
COc1ccc2nc(NCCCC(N)=O)sc2c1 NC(=O)[*:1] COc1ccc2nc(NCCC[*:1])sc2c1
CCC[C@](O)(c1ccccc1)[C@](C)(C#N)CC CCC[*:1] CC[C@@](C)(C#N)[C@](O)(c1ccccc1)[*:1]
COCCn1c(C)nc2cc(C)c(C)cc21 COCC[*:1] Cc1cc2nc(C)n(c2cc1C)[*:1]
COCCn1c(C)nc2cc(C)c(C)cc21 COC[*:1] Cc1cc2nc(C)n(C[*:1])c2cc1C
CC1(CNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)Cc2ccccc2C1 NC(=O)[*:1] CC1(CNC(=O)NC[C@@H]2CC[C@@H](O2)[*:1])Cc2ccccc2C1
CCO[C@@H](CCNC(=O)N1CC[C@H](C)[C@H](O)C1)C1CCCC1 CCO[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCC[C@@H](C1CCCC1)[*:1]
CCO[C@@H](CCNC(=O)N1CC[C@H](C)[C@H](O)C1)C1CCCC1 C1CCC(C1)[*:1] CCO[C@@H](CCNC(=O)N1CC[C@H](C)[C@H](O)C1)[*:1]
COc1ccc(-n2cc3c(c2-c2ccccc2Cl)c(=O)n(C)c(=O)n3C)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-n1cc2c(c1[*:1])c(=O)n(C)c(=O)n2C
COc1ccc(-n2cc3c(c2-c2ccccc2Cl)c(=O)n(C)c(=O)n3C)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)c2c(-c3ccccc3Cl)n(cc2n(C)c1=O)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccsc2)cc1 CC(C)C(=O)N[*:1] O=C(NCc1ccsc1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccsc2)cc1 c1cc(cs1)C[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccsc2)cc1 c1cc(cs1)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)C(=O)NC[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccsc2)cc1 CC(C)[*:1] O=C(NCc1ccsc1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)CC[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 CC(C)CC[C@H](C)[*:1] O=C(Nc1ccc(Cl)c(c1)C(=O)NC1CC1)N[*:1]
CC(C)CC[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 CC(C)C[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccc(Cl)c(c1)C(=O)NC1CC1
CC(C)CC[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 C1CC1[*:1] CC(C)CC[C@H](C)NC(=O)Nc1ccc(Cl)c(c1)C(=O)N[*:1]
CC(C)CC[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] CC(C)CC[C@H](C)NC(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(C)CC[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 CC(C)CC[*:1] C[C@H](NC(=O)Nc1ccc(Cl)c(c1)C(=O)NC1CC1)[*:1]
CC(C)CC[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 CC(C)[*:1] C[C@@H](CC[*:1])NC(=O)Nc1ccc(Cl)c(c1)C(=O)NC1CC1
O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccccc1-n1cncn1 c1ncn(n1)[*:1] O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccccc1[*:1]
CC[NH+]1CCC(N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC[NH+]1CCC(CC1)N(C)CC(=O)Nc1ccc(cc1[*:1])OC
COc1ccc([C@H](N[C@@H]2CCN(C3CC3)C2=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)[C@H](N[C@@H]1CCN(C1=O)C1CC1)[*:1]
COc1ccc([C@H](N[C@@H]2CCN(C3CC3)C2=O)c2ccccc2Cl)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](N[C@@H]1CCN(C1=O)[*:1])c1ccccc1Cl
COc1ccc([C@H](N[C@@H]2CCN(C3CC3)C2=O)c2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] O=C1[C@@H](CCN1C1CC1)N[C@H](c1ccccc1Cl)[*:1]
C[C@H](Cc1cccs1)N(C)S(=O)(=O)c1ccc(F)cc1 c1csc(c1)C[*:1] C[C@H](N(C)S(=O)(=O)c1ccc(F)cc1)[*:1]
C[C@H](Cc1cccs1)N(C)S(=O)(=O)c1ccc(F)cc1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)S(=O)(=O)c1ccc(F)cc1
NC1=[NH+]CC2(CCC2)N1Cc1cccs1 c1csc(c1)[*:1] NC1=[NH+]CC2(CCC2)N1C[*:1]
O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCN(CC1)C(=O)N[*:1]
OCCC[NH+](CCO)Cc1ccc(F)cc1F OCCC[*:1] OCC[NH+](Cc1ccc(F)cc1F)[*:1]
OCCC[NH+](CCO)Cc1ccc(F)cc1F OCC[*:1] OCCC[NH+](Cc1ccc(F)cc1F)[*:1]
OCCC[NH+](CCO)Cc1ccc(F)cc1F OCC[*:1] OCC[NH+](Cc1ccc(F)cc1F)C[*:1]
Cc1ccc(NC(=O)CN2CCN(c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)CC(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1n[nH]c(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(Nc1ccc(Cl)cc1Cl)c1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(C)(C)C CC(C)(C)CC[*:1] CC[C@H](C)NC(=O)[C@H](C)NC(=O)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(C)(C)C CC[C@H](C)[*:1] C[C@H](NC(=O)CCC(C)(C)C)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(C)(C)C CC(C)(C)C[*:1] CC[C@H](C)NC(=O)[C@H](C)NC(=O)C[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(C)(C)C CC(C)(C)[*:1] CC[C@H](C)NC(=O)[C@H](C)NC(=O)CC[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C CCS(=O)(=O)[*:1] CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](C)C[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C CCS(=O)(=O)C[*:1] CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](C)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C CC(C)[*:1] CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@@H](c1ccccc1Cl)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C Clc1ccccc1[*:1] CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@@H](C(C)C)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C CCS(=O)(=O)C[C@H](C)[*:1] CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)N[*:1]
C=CCN(Cc1ccc(Br)s1)C(=O)c1ccc(C#N)cc1 Brc1ccc(C[*:1])s1 C=CCN(C(=O)c1ccc(C#N)cc1)[*:1]
C=CCN(Cc1ccc(Br)s1)C(=O)c1ccc(C#N)cc1 Brc1ccc(s1)[*:1] C=CCN(C[*:1])C(=O)c1ccc(C#N)cc1
C=CCN(Cc1ccc(Br)s1)C(=O)c1ccc(C#N)cc1 C=CC[*:1] N#Cc1ccc(cc1)C(=O)N(Cc1ccc(Br)s1)[*:1]
CCO[C@H](CC)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 CCO[*:1] CC[C@H](C(=O)NNC(=O)c1cc(on1)-c1ccccc1)[*:1]
CCO[C@H](CC)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] CCO[C@H](CC)C(=O)NNC(=O)c1cc(on1)[*:1]
O=C(c1ccc([O-])nn1)N(CC1CCC1)c1ccccc1 C1CC(C1)[*:1] O=C(c1ccc([O-])nn1)N(C[*:1])c1ccccc1
O=C(c1ccc([O-])nn1)N(CC1CCC1)c1ccccc1 C1CC(C1)C[*:1] O=C(c1ccc([O-])nn1)N(c1ccccc1)[*:1]
O=C(c1ccc([O-])nn1)N(CC1CCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc([O-])nn1)N(CC1CCC1)[*:1]
CC(C)C[C@@H]1COCCN1CC(=O)NCc1ccccc1F CC(C)C[*:1] O=C(CN1CCOC[C@H]1[*:1])NCc1ccccc1F
CC(C)C[C@@H]1COCCN1CC(=O)NCc1ccccc1F Fc1ccccc1[*:1] CC(C)C[C@@H]1COCCN1CC(=O)NC[*:1]
CC(C)C[C@@H]1COCCN1CC(=O)NCc1ccccc1F CC(C)[*:1] O=C(CN1CCOC[C@H]1C[*:1])NCc1ccccc1F
Cc1cccc(OS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)c1ccc(Cl)c(c1)S(=O)(=O)O[*:1]
Cc1cccc(OS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)OS(=O)(=O)c1cc(ccc1Cl)[*:1]
O=C(CSc1ccc2ccccc2c1)Nc1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] O=C(CSc1ccc2ccccc2c1)Nc1cccc(c1)[*:1]
CCOC(=O)[C@@](O)(c1ccc(N(C)C(=O)c2cccc(F)c2)cc1)C(F)(F)F CCOC(=O)[*:1] CN(C(=O)c1cccc(F)c1)c1ccc(cc1)[C@](O)(C(F)(F)F)[*:1]
CCOC(=O)[C@@](O)(c1ccc(N(C)C(=O)c2cccc(F)c2)cc1)C(F)(F)F Fc1cccc(c1)[*:1] CCOC(=O)[C@@](O)(c1ccc(cc1)N(C)C(=O)[*:1])C(F)(F)F
CCOC(=O)[C@@](O)(c1ccc(N(C)C(=O)c2cccc(F)c2)cc1)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@@](O)(c1ccc(cc1)N(C)C(=O)c1cccc(F)c1)[*:1]
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2)N=C(Nc2nc3ccccc3o2)N1 Fc1ccc(cc1)[*:1] CC1NC(=N[C@H](C=1C(=O)N[*:1])c1ccccc1)Nc1nc2ccccc2o1
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2)N=C(Nc2nc3ccccc3o2)N1 O=C(Nc1ccc(F)cc1)[*:1] CC1NC(=N[C@H](C=1[*:1])c1ccccc1)Nc1nc2ccccc2o1
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2)N=C(Nc2nc3ccccc3o2)N1 c1ccc(cc1)[*:1] CC1NC(=N[C@@H](C=1C(=O)Nc1ccc(F)cc1)[*:1])Nc1nc2ccccc2o1
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2)N=C(Nc2nc3ccccc3o2)N1 c1ccc2oc(nc2c1)[*:1] CC1NC(=N[C@H](C=1C(=O)Nc1ccc(F)cc1)c1ccccc1)N[*:1]
COCc1nc(C)cc(NCc2c(C)nn(-c3ccccc3)c2C)n1 COC[*:1] Cc1cc(nc(n1)[*:1])NCc1c(C)nn(-c2ccccc2)c1C
COCc1nc(C)cc(NCc2c(C)nn(-c3ccccc3)c2C)n1 c1ccc(cc1)[*:1] COCc1nc(C)cc(n1)NCc1c(C)nn(c1C)[*:1]
C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N[C@H]1CCCc2ccccc21 Brc1cccc(c1)[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)N[C@H]1CCCc2ccccc21
CCC[NH2+][C@@H](c1cc(C)cc(F)c1)c1ccc(Cl)cn1 CCC[*:1] Cc1cc(F)cc(c1)[C@H]([NH2+][*:1])c1ccc(Cl)cn1
O=C(Cc1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 c1csc(c1)C[*:1] O=C(N1CCc2ccc(cc21)[N+](=O)[O-])[*:1]
O=C(Cc1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 c1csc(c1)[*:1] O=C(C[*:1])N1CCc2ccc(cc21)[N+](=O)[O-]
O=C(Cc1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C(Cc1cccs1)N1CCc2ccc(cc21)[*:1]
Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)C2=CN=C(C(=O)N3CCC(C)CC3)C2)C1 Cc1cc(F)ccc1NC(=O)[*:1] CC1CCN(CC1)C(=O)C1CC(=CN=1)S(=O)(=O)N1CCC[C@@H](C1)[*:1]
Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)C2=CN=C(C(=O)N3CCC(C)CC3)C2)C1 Cc1cc(F)ccc1[*:1] CC1CCN(CC1)C(=O)C1CC(=CN=1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
N#Cc1cccc(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 N#Cc1cccc(c1)[*:1] O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(CC1)C[*:1]
N#Cc1cccc(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 Clc1cccc(Cl)c1[*:1] N#Cc1cccc(c1)CN1CCN(CC1)S(=O)(=O)[*:1]
CS(=O)(=O)NC1CCC(NC(=O)Nc2cnn(CC(F)F)c2)CC1 FC(F)C[*:1] CS(=O)(=O)NC1CCC(CC1)NC(=O)Nc1cnn(c1)[*:1]
CS(=O)(=O)NC1CCC(NC(=O)Nc2cnn(CC(F)F)c2)CC1 CS(=O)(=O)N[*:1] O=C(Nc1cnn(c1)CC(F)F)NC1CCC(CC1)[*:1]
CS(=O)(=O)NC1CCC(NC(=O)Nc2cnn(CC(F)F)c2)CC1 FC(F)[*:1] CS(=O)(=O)NC1CCC(CC1)NC(=O)Nc1cnn(c1)C[*:1]
COc1c(Cl)cccc1NC(=O)CCc1cccc(C)c1 Cc1cccc(c1)[*:1] COc1c(Cl)cccc1NC(=O)CC[*:1]
CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cccc(C)c1C CCOC(=O)[*:1] Cc1cccc(NC(=O)C(=O)NC[C@H](C)[*:1])c1C
CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cccc(C)c1C CCOC(=O)[C@@H](C)[*:1] Cc1cccc(NC(=O)C(=O)NC[*:1])c1C
CN(CCc1cccs1)c1cc(Br)cc(F)c1C(N)=O c1csc(c1)[*:1] CN(CC[*:1])c1cc(Br)cc(F)c1C(N)=O
CN(CCc1cccs1)c1cc(Br)cc(F)c1C(N)=O NC(=O)[*:1] CN(CCc1cccs1)c1cc(Br)cc(F)c1[*:1]
CN(CCc1cccs1)c1cc(Br)cc(F)c1C(N)=O c1csc(c1)C[*:1] CN(C[*:1])c1cc(Br)cc(F)c1C(N)=O
COc1ccccc1CNC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] COc1ccccc1CNC(=O)N[C@@H](C)c1nc(cs1)[*:1]
COc1ccccc1CNC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 COc1ccccc1[*:1] C[C@H](NC(=O)NC[*:1])c1nc(cs1)C(C)(C)C
O=C1CCCCN1C1CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 O=C1CCCCN1[*:1] Fc1ccc(cc1)-c1ccc(C[NH+]2CCC(CC2)[*:1])s1
O=C1CCCCN1C1CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 Fc1ccc(cc1)[*:1] O=C1CCCCN1C1CC[NH+](CC1)Cc1ccc(s1)[*:1]
COc1ccccc1NC(=O)Nc1cccc(CN(C)C(C)=O)c1 CC(=O)N(C)[*:1] COc1ccccc1NC(=O)Nc1cccc(c1)C[*:1]
COc1ccccc1NC(=O)Nc1cccc(CN(C)C(C)=O)c1 COc1ccccc1[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)N[*:1]
COc1ccccc1NC(=O)Nc1cccc(CN(C)C(C)=O)c1 CC(=O)N(C)C[*:1] COc1ccccc1NC(=O)Nc1cccc(c1)[*:1]
N#Cc1cc2c([nH]c1=O)CC/C(=C/NCCO)C2=O OCCN[*:1] N#Cc1cc2C(=O)C(=C[*:1])CCc2[nH]c1=O
N#Cc1cc2c([nH]c1=O)CC/C(=C/NCCO)C2=O OCC[*:1] N#Cc1cc2C(=O)/C(=C\N[*:1])CCc2[nH]c1=O
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1cccs1 c1csc(c1)[*:1] N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1cccs1 c1csc(c1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@H]1c1cccs1)[*:1]
O=C(CCC1CCCC1)N1CCC[NH2+]CC1 C1CCC(C1)[*:1] O=C(CC[*:1])N1CCC[NH2+]CC1
Cc1ncc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)c(=O)[nH]1 Fc1ccc(cc1)[*:1] Cc1ncc(C(=O)N2CCN(CCCO[*:1])CC2)c(=O)[nH]1
Cc1ncc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)c(=O)[nH]1 Fc1ccc(cc1)OC[*:1] Cc1ncc(C(=O)N2CCN(CC2)CC[*:1])c(=O)[nH]1
Cc1ncc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)c(=O)[nH]1 Fc1ccc(cc1)O[*:1] Cc1ncc(C(=O)N2CCN(CCC[*:1])CC2)c(=O)[nH]1
Cc1ncc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)c(=O)[nH]1 Cc1ncc(c(=O)[nH]1)[*:1] O=C(N1CCN(CCCOc2ccc(F)cc2)CC1)[*:1]
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3sccc3-c3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)C(=O)CC1CCN(CC1)C(=O)c1sccc1[*:1]
N#Cc1ccccc1CSCCNC(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)[*:1] N#Cc1ccccc1CSCCNC(=O)N1CCCN(CC1)c1ncc(cc1Cl)[*:1]
N#Cc1ccccc1CSCCNC(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 N#Cc1ccccc1CS[*:1] O=C(NCC[*:1])N1CCCN(CC1)c1ncc(cc1Cl)C(F)(F)F
N#Cc1ccccc1CSCCNC(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 N#Cc1ccccc1C[*:1] O=C(NCCS[*:1])N1CCCN(CC1)c1ncc(cc1Cl)C(F)(F)F
N#Cc1ccccc1CSCCNC(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 N#Cc1ccccc1CSC[*:1] O=C(NC[*:1])N1CCCN(CC1)c1ncc(cc1Cl)C(F)(F)F
N#Cc1ccccc1CSCCNC(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 N#Cc1ccccc1[*:1] O=C(NCCSC[*:1])N1CCCN(CC1)c1ncc(cc1Cl)C(F)(F)F
N#Cc1ccccc1CSCCNC(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 FC(F)(F)c1cnc(c(Cl)c1)[*:1] N#Cc1ccccc1CSCCNC(=O)N1CCCN(CC1)[*:1]
CC(=O)O[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c1cnc2C Fc1ccccc1[*:1] CC(=O)O[C@@H]1N=C(c2cc(Cl)ccc2-n2c1cnc2C)[*:1]
CC(=O)O[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c1cnc2C CC(=O)O[*:1] Cc1ncc2[C@@H](N=C(c3ccccc3F)c3cc(Cl)ccc3-n21)[*:1]
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@H](CO)[*:1]
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@H](CO)c1ccco1 CC(C)[*:1] O=C(N[C@H](C(=O)N[C@H](CO)c1ccco1)[*:1])c1ccc(F)cc1
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N[C@H](CO)c1ccco1 Fc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N[C@H](CO)c1ccco1
Cc1ccc(C#CCCO)cc1N1C[C@@H](C)CS1(=O)=O OCCC#C[*:1] Cc1ccc(cc1N1C[C@@H](C)CS1(=O)=O)[*:1]
Cc1ccc(C#CCCO)cc1N1C[C@@H](C)CS1(=O)=O OCC[*:1] Cc1ccc(C#C[*:1])cc1N1C[C@@H](C)CS1(=O)=O
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)[C@@H](C#N)N1CCN(CC1)C(=O)[C@@H]1CCCCN1C(=O)O[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 CC(C)[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCN(CC1)[C@H](C#N)[*:1]
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 CC(C)[C@@H](C#N)[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCN(CC1)[*:1]
CCOC(=O)c1nc(-c2ccc(OC(C)C)cc2)no1 CC(C)[*:1] CCOC(=O)c1nc(no1)-c1ccc(cc1)O[*:1]
CCOC(=O)c1nc(-c2ccc(OC(C)C)cc2)no1 CC(C)O[*:1] CCOC(=O)c1nc(no1)-c1ccc(cc1)[*:1]
CCOC(=O)c1nc(-c2ccc(OC(C)C)cc2)no1 CCOC(=O)[*:1] CC(C)Oc1ccc(cc1)-c1noc(n1)[*:1]
Cc1cccc(N2/C(=N/C(=O)c3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1/C(=N/C(=O)[*:1])S[C@@H]2CS(=O)(=O)C[C@@H]21
Cc1cccc(N2/C(=N/C(=O)c3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1C Cc1cccc(c1C)[*:1] O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1])c1ccccc1
Cc1ccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2[O-])cc1C Cc1ccc(cc1C)N[*:1] [O-]c1c(ccc2cccnc12)[C@H](c1ccncc1)[*:1]
Cc1ccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2[O-])cc1C Cc1ccc(cc1C)[*:1] [O-]c1c(ccc2cccnc12)[C@@H](N[*:1])c1ccncc1
Cc1ccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2[O-])cc1C c1cc(ccn1)[*:1] Cc1ccc(cc1C)N[C@@H](c1ccc2cccnc2c1[O-])[*:1]
Cc1cc(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)on1 Cc1cc(on1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)OC[*:1]
Cc1cc(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)on1 O=[N+]([O-])[*:1] Cc1cc(COC(=O)c2ccc(c(C)c2)[*:1])on1
COC(=O)[C@H](C)N(C(=O)C1C(C)(C)C1(C)C)C1CC1 COC(=O)[*:1] C[C@H](N(C(=O)C1C(C)(C)C1(C)C)C1CC1)[*:1]
COC(=O)[C@H](C)N(C(=O)C1C(C)(C)C1(C)C)C1CC1 C1CC1[*:1] COC(=O)[C@H](C)N(C(=O)C1C(C)(C)C1(C)C)[*:1]
COC(=O)[C@H](C)N(C(=O)C1C(C)(C)C1(C)C)C1CC1 COC(=O)[C@H](C)[*:1] CC1(C)C(C(=O)N(C2CC2)[*:1])C1(C)C
C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc21 O=[N+]([O-])[*:1] C[C@@H](N[C@H](C)c1cccc(c1)[*:1])C(=O)N1CCc2ccccc21
N#CCc1ccc(OC[C@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 N#CCc1ccc(cc1)[*:1] O=c1c2ccccc2c(nn1C[C@@H](O)CO[*:1])-c1ccc(F)cc1
N#CCc1ccc(OC[C@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 N#CCc1ccc(cc1)O[*:1] O=c1c2ccccc2c(nn1C[C@@H](O)C[*:1])-c1ccc(F)cc1
N#CCc1ccc(OC[C@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 Fc1ccc(cc1)[*:1] N#CCc1ccc(cc1)OC[C@H](O)Cn1nc(c2ccccc2c1=O)[*:1]
N#CCc1ccc(OC[C@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 N#CC[*:1] O=c1c2ccccc2c(nn1C[C@@H](O)COc1ccc(cc1)[*:1])-c1ccc(F)cc1
CC(C)OCCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 c1ccc(cc1)[*:1] CC(C)OCCCNC(=O)c1cn(C)cc2-c1nn(c2=O)[*:1]
CC(C)OCCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 CC(C)OC[*:1] Cn1cc(C(=O)NCC[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
CC(C)OCCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 CC(C)O[*:1] Cn1cc(C(=O)NCCC[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
CC(C)OCCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 CC(C)OCC[*:1] Cn1cc(C(=O)NC[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
CC(C)OCCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 CC(C)OCCC[*:1] Cn1cc(C(=O)N[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
CC(C)OCCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 CC(C)[*:1] Cn1cc(C(=O)NCCCO[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C(C)(C)C)cc1 CC(=O)[*:1] CC1Nc2ncnn2[C@H](C=1[*:1])c1ccc(cc1)C(C)(C)C
CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(cc1)[*:1]
CCN(CC)c1ncc(CN2CCO[C@H](c3nc(C)cs3)C2)s1 CCN(CC)[*:1] Cc1csc(n1)[C@@H]1CN(CCO1)Cc1cnc(s1)[*:1]
CCN(CC)c1ncc(CN2CCO[C@H](c3nc(C)cs3)C2)s1 Cc1csc(n1)[*:1] CCN(CC)c1ncc(CN2CCO[C@H](C2)[*:1])s1
Cc1c(C(=O)OCc2nncn2C2CC2)cccc1N1CCNC1=O c1nnc(n1C1CC1)[*:1] Cc1c(cccc1N1CCNC1=O)C(=O)OC[*:1]
Cc1c(C(=O)OCc2nncn2C2CC2)cccc1N1CCNC1=O C1CC1[*:1] Cc1c(cccc1N1CCNC1=O)C(=O)OCc1nncn1[*:1]
Cc1c(C(=O)OCc2nncn2C2CC2)cccc1N1CCNC1=O O=C1NCCN1[*:1] Cc1c(cccc1[*:1])C(=O)OCc1nncn1C1CC1
COc1ccc([C@@H](C)[NH2+]Cc2nc(C)sc2C)c2ccccc12 Cc1nc(c(C)s1)[*:1] COc1ccc(c2ccccc12)[C@@H](C)[NH2+]C[*:1]
CN(C)C(=O)c1cccc(NC(=S)NC(=O)CC2CCCC2)c1 CN(C)C(=O)[*:1] O=C(CC1CCCC1)NC(=S)Nc1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(NC(=S)NC(=O)CC2CCCC2)c1 C1CCC(C1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=S)NC(=O)C[*:1]
CN(C)C(=O)c1cccc(NC(=S)NC(=O)CC2CCCC2)c1 C1CCC(C1)C[*:1] CN(C)C(=O)c1cccc(c1)NC(=S)NC(=O)[*:1]
COc1ccc(-n2nc(C(=O)N3CCC[C@@H]4CCC[C@@H]43)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)N1CCC[C@@H]2CCC[C@@H]21
NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccncc2)cc1 c1cc(ccn1)C[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccncc2)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1Cc1ccncc1)N[*:1]
NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccncc2)cc1 c1cc(ccn1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1C[*:1]
NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccncc2)cc1 NS(=O)(=O)[*:1] O=C(CSc1nc2ccccc2c(=O)n1Cc1ccncc1)Nc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc[nH+]c1N1CC[NH+](CCO)CC1 OCC[*:1] O=[N+]([O-])c1ccc[nH+]c1N1CC[NH+](CC1)[*:1]
O=[N+]([O-])c1ccc[nH+]c1N1CC[NH+](CCO)CC1 O=[N+]([O-])[*:1] OCC[NH+]1CCN(CC1)c1[nH+]cccc1[*:1]
C[C@H]1CN(Cc2ccccc2C[NH2+]Cc2c(F)cccc2F)C[C@H](C)O1 Fc1cccc(F)c1[*:1] C[C@H]1CN(Cc2ccccc2C[NH2+]C[*:1])C[C@H](C)O1
O=C(Cc1ccccc1Cl)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 Clc1ccccc1[*:1] O=C(C[*:1])Nc1ccc2Oc3ccccc3NC(=O)c2c1
O=C(Cc1ccccc1Cl)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 Clc1ccccc1C[*:1] O=C1Nc2ccccc2Oc2ccc(cc21)NC(=O)[*:1]
C[C@H](NC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2ccccc21)c1ccccc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1])c1ccccc1
C[C@H](NC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2ccccc21)[*:1]
C[C@H](NC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2ccccc21)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2ccccc21)N[*:1]
O=C([O-])CSc1ccc(NC(=O)c2cccc3ccccc23)cc1 O=C([O-])C[*:1] O=C(Nc1ccc(cc1)S[*:1])c1cccc2ccccc12
O=C([O-])CSc1ccc(NC(=O)c2cccc3ccccc23)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)SC[*:1])c1cccc2ccccc12
O=C([O-])CSc1ccc(NC(=O)c2cccc3ccccc23)cc1 O=C([O-])CS[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc2ccccc12
CN(C)C(=O)c1ccccc1NC(=O)c1ccc(Cl)o1 Clc1ccc(o1)[*:1] CN(C)C(=O)c1ccccc1NC(=O)[*:1]
CN(C)C(=O)c1ccccc1NC(=O)c1ccc(Cl)o1 CN(C)C(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(Cl)o1
COc1cc(OC)cc(C(=O)N(CCC#N)Cc2ccco2)c1 c1coc(c1)C[*:1] COc1cc(cc(c1)C(=O)N(CCC#N)[*:1])OC
COc1cc(OC)cc(C(=O)N(CCC#N)Cc2ccco2)c1 N#CC[*:1] COc1cc(cc(c1)C(=O)N(Cc1ccco1)C[*:1])OC
COc1cc(OC)cc(C(=O)N(CCC#N)Cc2ccco2)c1 N#CCC[*:1] COc1cc(cc(c1)C(=O)N(Cc1ccco1)[*:1])OC
COc1cc(OC)cc(C(=O)N(CCC#N)Cc2ccco2)c1 c1coc(c1)[*:1] COc1cc(cc(c1)C(=O)N(CCC#N)C[*:1])OC
C[C@@H](CCCl)Sc1nc(C2CC2)ns1 ClCC[*:1] C[C@@H](Sc1nc(ns1)C1CC1)[*:1]
C[C@@H](CCCl)Sc1nc(C2CC2)ns1 C1CC1[*:1] C[C@@H](CCCl)Sc1nc(ns1)[*:1]
CC[C@@H](NC(=O)C(=O)Nc1cc(C)nn1C)c1ccc(Cl)cc1 Cc1cc(n(C)n1)[*:1] CC[C@@H](NC(=O)C(=O)N[*:1])c1ccc(Cl)cc1
CC[C@@H](NC(=O)C(=O)Nc1cc(C)nn1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@@H](NC(=O)C(=O)Nc1cc(C)nn1C)[*:1]
Cc1ccc(C[NH+]2CCC(C[NH+](C)Cc3ccc(Cl)s3)CC2)o1 Clc1ccc(C[*:1])s1 Cc1ccc(C[NH+]2CCC(CC2)C[NH+](C)[*:1])o1
Cc1ccc(C[NH+]2CCC(C[NH+](C)Cc3ccc(Cl)s3)CC2)o1 Cc1ccc(o1)[*:1] C[NH+](Cc1ccc(Cl)s1)CC1CC[NH+](CC1)C[*:1]
Cc1ccc(C[NH+]2CCC(C[NH+](C)Cc3ccc(Cl)s3)CC2)o1 Cc1ccc(C[*:1])o1 C[NH+](Cc1ccc(Cl)s1)CC1CC[NH+](CC1)[*:1]
Cc1ccc(C[NH+]2CCC(C[NH+](C)Cc3ccc(Cl)s3)CC2)o1 Clc1ccc(s1)[*:1] Cc1ccc(C[NH+]2CCC(CC2)C[NH+](C)C[*:1])o1
N#Cc1cnc(Nc2nc3ccccc3o2)nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#Cc1cnc(nc1[*:1])Nc1nc2ccccc2o1
CC(C)CCC(=O)N1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 CC(C)[*:1] O=C(CC[*:1])N1CCN(CC1)[C@H]1CC(=O)N(C1=O)c1ccccc1F
CC(C)CCC(=O)N1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 CC(C)C[*:1] O=C(C[*:1])N1CCN(CC1)[C@H]1CC(=O)N(C1=O)c1ccccc1F
CC(C)CCC(=O)N1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 Fc1ccccc1[*:1] CC(C)CCC(=O)N1CCN(CC1)[C@H]1CC(=O)N(C1=O)[*:1]
CC(C)CCC(=O)N1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 CC(C)CC[*:1] O=C1C[C@@H](C(=O)N1c1ccccc1F)N1CCN(CC1)C(=O)[*:1]
Cc1cc(NC(=O)C[NH+]2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)no1 Cc1cc(no1)NC(=O)[*:1] FC(F)(F)c1cccc(c1)-c1noc(n1)C1C[NH+](C1)C[*:1]
Cc1cc(NC(=O)C[NH+]2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)no1 Cc1cc(no1)[*:1] O=C(C[NH+]1CC(C1)c1nc(no1)-c1cccc(c1)C(F)(F)F)N[*:1]
Cc1cc(NC(=O)C[NH+]2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)no1 FC(F)(F)[*:1] Cc1cc(no1)NC(=O)C[NH+]1CC(C1)c1nc(no1)-c1cccc(c1)[*:1]
CN(Cc1cscn1)c1ccc(S(=O)(=O)C(C)(C)C)nc1 c1nc(cs1)[*:1] CN(C[*:1])c1ccc(nc1)S(=O)(=O)C(C)(C)C
CN(Cc1cscn1)c1ccc(S(=O)(=O)C(C)(C)C)nc1 c1nc(cs1)C[*:1] CN(c1ccc(nc1)S(=O)(=O)C(C)(C)C)[*:1]
CN(Cc1cscn1)c1ccc(S(=O)(=O)C(C)(C)C)nc1 CC(C)(C)[*:1] CN(Cc1cscn1)c1ccc(nc1)S(=O)(=O)[*:1]
CN(Cc1cscn1)c1ccc(S(=O)(=O)C(C)(C)C)nc1 CC(C)(C)S(=O)(=O)[*:1] CN(Cc1cscn1)c1ccc(nc1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2cc(CC)n[nH]2)CC1 CCOC(=O)[*:1] CCc1cc([nH]n1)C(=O)N1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2cc(CC)n[nH]2)CC1 CCc1cc([nH]n1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[*:1]
C[C@H]1CCCC[C@@H]1Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@H]1CCCC[C@@H]1Nc1cc(cc(c1)[*:1])[N+](=O)[O-]
C[C@H]1CCCC[C@@H]1Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 C[C@H]1CCCC[C@H]1[*:1] NS(=O)(=O)c1cc(cc(c1)[N+](=O)[O-])N[*:1]
C[C@H]1CCCC[C@@H]1Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 O=[N+]([O-])[*:1] C[C@H]1CCCC[C@@H]1Nc1cc(cc(c1)[*:1])S(N)(=O)=O
Cc1cccc(C[C@H]2S/C(=N\N=C\c3ccc(Cl)cc3)NC2=O)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)C[C@H]1S/C(=N\N=C[*:1])NC1=O
Cc1cccc(C[C@H]2S/C(=N\N=C\c3ccc(Cl)cc3)NC2=O)c1 Cc1cccc(c1)[*:1] O=C1N/C(=N/N=C/c2ccc(Cl)cc2)S[C@@H]1C[*:1]
Cc1cccc(C[C@H]2S/C(=N\N=C\c3ccc(Cl)cc3)NC2=O)c1 Cc1cccc(c1)C[*:1] O=C1N/C(=N/N=C/c2ccc(Cl)cc2)S[C@@H]1[*:1]
Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccc3OCCOc3c2)c(n1)[*:1]
CCOc1c(Cl)cccc1NC(=O)C(=O)NCc1cccc(OC)c1 CCO[*:1] COc1cccc(c1)CNC(=O)C(=O)Nc1cccc(Cl)c1[*:1]
CCOc1c(Cl)cccc1NC(=O)C(=O)NCc1cccc(OC)c1 COc1cccc(c1)[*:1] CCOc1c(Cl)cccc1NC(=O)C(=O)NC[*:1]
CN(Cc1cnn(C)c1)C(=O)CNc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] CN(Cc1cnn(C)c1)C(=O)CNc1cccc(c1)[*:1]
CN(Cc1cnn(C)c1)C(=O)CNc1cccc(OC(F)(F)F)c1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)CNc1cccc(c1)OC(F)(F)F
CN(Cc1cnn(C)c1)C(=O)CNc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] CN(Cc1cnn(C)c1)C(=O)CNc1cccc(c1)O[*:1]
CN(Cc1cnn(C)c1)C(=O)CNc1cccc(OC(F)(F)F)c1 Cn1cc(cn1)C[*:1] CN(C(=O)CNc1cccc(c1)OC(F)(F)F)[*:1]
CCOc1cc2c(cc1NC(=O)N(C)Cc1nc(CC)no1)O[C@@H](C)C2 CCc1noc(C[*:1])n1 CCOc1cc2C[C@H](C)Oc2cc1NC(=O)N(C)[*:1]
CCOc1cc2c(cc1NC(=O)N(C)Cc1nc(CC)no1)O[C@@H](C)C2 CCc1noc(n1)[*:1] CCOc1cc2C[C@H](C)Oc2cc1NC(=O)N(C)C[*:1]
CCOc1cc2c(cc1NC(=O)N(C)Cc1nc(CC)no1)O[C@@H](C)C2 CCO[*:1] CCc1noc(CN(C)C(=O)Nc2cc3O[C@@H](C)Cc3cc2[*:1])n1
Cc1ccc2c(c1)=[NH+][C@@H](CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C1)[NH+]=2 CC(C)[*:1] Cc1ccc2=[NH+][C@H](CCNC(=O)[C@@H]3CCCN(C3)S(=O)(=O)c3cn(cn3)[*:1])[NH+]=c2c1
Cc1ccc2c(c1)=[NH+][C@@H](CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C1)[NH+]=2 CC(C)n1cnc(c1)[*:1] Cc1ccc2=[NH+][C@H](CCNC(=O)[C@@H]3CCCN(C3)S(=O)(=O)[*:1])[NH+]=c2c1
C[C@H]1CN(S(=O)(=O)c2sccc2Br)C(C)(C)CO1 Brc1ccsc1[*:1] C[C@H]1CN(C(C)(C)CO1)S(=O)(=O)[*:1]
COC[C@H]1CN(C(=O)NCc2cccc(Oc3ccccc3)c2)CCO1 c1ccc(cc1)O[*:1] COC[C@H]1CN(CCO1)C(=O)NCc1cccc(c1)[*:1]
COC[C@H]1CN(C(=O)NCc2cccc(Oc3ccccc3)c2)CCO1 c1ccc(cc1)[*:1] COC[C@H]1CN(CCO1)C(=O)NCc1cccc(c1)O[*:1]
COC[C@H]1CN(C(=O)NCc2cccc(Oc3ccccc3)c2)CCO1 COC[*:1] O=C(NCc1cccc(c1)Oc1ccccc1)N1CCO[C@H](C1)[*:1]
O=C(c1cnc(-c2ccccc2)nc1)N(C[C@@H]1CCCO1)c1ccncc1 c1ccc(cc1)[*:1] O=C(c1cnc(nc1)[*:1])N(C[C@@H]1CCCO1)c1ccncc1
O=C(c1cnc(-c2ccccc2)nc1)N(C[C@@H]1CCCO1)c1ccncc1 c1cc(ccn1)[*:1] O=C(c1cnc(nc1)-c1ccccc1)N(C[C@@H]1CCCO1)[*:1]
Cl[C@@H](CSc1nnnn1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cl[C@@H](CSc1nnnn1-c1ccccc1)[*:1]
Cl[C@@H](CSc1nnnn1-c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cl[C@@H](CSc1nnnn1[*:1])c1ccccc1
CCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12 Clc1ccc(cc1)[*:1] CCn1c2c(=O)[nH]c(=O)n(C)c2n2c(nnc12)[*:1]
Nc1c2c(-c3ccccc3)nc(NC3CC3)nc2nn1-c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Nc1c2c(nc(nc2nn1-c1ccc(cc1)[*:1])NC1CC1)-c1ccccc1
Nc1c2c(-c3ccccc3)nc(NC3CC3)nc2nn1-c1ccc(C(F)(F)F)cc1 C1CC1N[*:1] Nc1c2c(nc(nc2nn1-c1ccc(cc1)C(F)(F)F)[*:1])-c1ccccc1
Nc1c2c(-c3ccccc3)nc(NC3CC3)nc2nn1-c1ccc(C(F)(F)F)cc1 c1ccc(cc1)[*:1] Nc1c2c(nc(nc2nn1-c1ccc(cc1)C(F)(F)F)NC1CC1)[*:1]
Nc1c2c(-c3ccccc3)nc(NC3CC3)nc2nn1-c1ccc(C(F)(F)F)cc1 C1CC1[*:1] Nc1c2c(nc(nc2nn1-c1ccc(cc1)C(F)(F)F)N[*:1])-c1ccccc1
Nc1c2c(-c3ccccc3)nc(NC3CC3)nc2nn1-c1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] Nc1c2c(nc(nc2nn1[*:1])NC1CC1)-c1ccccc1
CC1(C)CCC(C[NH3+])([C@@H](O)c2ccncn2)CC1 c1cc(ncn1)[*:1] CC1(C)CCC(C[NH3+])(CC1)[C@@H](O)[*:1]
Cc1cccc(Cl)c1NC(=O)c1ccc(N2CCCCCC2)nc1 Cc1cccc(Cl)c1[*:1] O=C(N[*:1])c1ccc(nc1)N1CCCCCC1
Cc1cccc(Cl)c1NC(=O)c1ccc(N2CCCCCC2)nc1 C1CCCN(CC1)[*:1] Cc1cccc(Cl)c1NC(=O)c1ccc(nc1)[*:1]
Cc1ccc(CCN2C[C@H](C(=O)NCc3cccnc3)CC2=O)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)CCN1C[C@@H](CC1=O)C(=O)NC[*:1]
Cc1ccc(CCN2C[C@H](C(=O)NCc3cccnc3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(NCc1cccnc1)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(CCN2C[C@H](C(=O)NCc3cccnc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1cccnc1)[C@@H]1CC(=O)N(CC[*:1])C1
Cc1ccc(CCN2C[C@H](C(=O)NCc3cccnc3)CC2=O)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)CCN1C[C@@H](CC1=O)C(=O)N[*:1]
O=C([O-])c1ccc(NC(=S)NC(=O)C(Cl)(Cl)Cl)cc1 ClC(Cl)(Cl)[*:1] O=C([O-])c1ccc(cc1)NC(=S)NC(=O)[*:1]
O=C([O-])c1ccc(NC(=S)NC(=O)C(Cl)(Cl)Cl)cc1 O=C([O-])[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])C(Cl)(Cl)Cl
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)NC(C)(C)C O=[N+]([O-])c1ccccc1[*:1] C[C@@H](O[*:1])C(=O)Nc1ccccc1C(=O)NC(C)(C)C
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N[*:1]
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1[*:1]
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)NC(C)(C)C O=[N+]([O-])[*:1] C[C@@H](Oc1ccccc1[*:1])C(=O)Nc1ccccc1C(=O)NC(C)(C)C
COc1cccc([C@H](NC(=O)Nc2cccnc2C)c2nccn2C)c1 Cc1ncccc1[*:1] COc1cccc(c1)[C@H](NC(=O)N[*:1])c1nccn1C
COc1cccc([C@H](NC(=O)Nc2cccnc2C)c2nccn2C)c1 COc1cccc(c1)[*:1] Cc1ncccc1NC(=O)N[C@H](c1nccn1C)[*:1]
COc1cccc([C@H](NC(=O)Nc2cccnc2C)c2nccn2C)c1 Cn1ccnc1[*:1] COc1cccc(c1)[C@H](NC(=O)Nc1cccnc1C)[*:1]
Cc1cc(C)c(NC(=O)CSCc2c(C)noc2C)c(C)c1 Cc1noc(C)c1[*:1] Cc1cc(C)c(NC(=O)CSC[*:1])c(C)c1
O=C(/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)NNc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(/C=C/c1ccc(cc1)S(=O)(=O)NC1CC1)NN[*:1]
O=C(/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)NNc1ccc(F)cc1 C1CC1[*:1] O=C(/C=C/c1ccc(cc1)S(=O)(=O)N[*:1])NNc1ccc(F)cc1
O=C(/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)NNc1ccc(F)cc1 O=S(=O)(NC1CC1)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NNc1ccc(F)cc1
CCc1cccc2c(C(=O)CN3CCC(C(=O)N4CCCC4)CC3)c[nH]c12 O=C(N1CCCC1)[*:1] CCc1cccc2c(c[nH]c12)C(=O)CN1CCC(CC1)[*:1]
CN1C[C@H]2CN(Cc3ccccn3)CCN2C1=O c1ccc(nc1)[*:1] CN1C[C@H]2CN(CCN2C1=O)C[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)c3cnn(-c4ccccc4)c3)[nH]c2c1 c1ccc(cc1)[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)c1cnn(c1)[*:1]
CC(C)(C)[C@@H](Cn1cccn1)NC(=O)NC1CCCCC1 CC(C)(C)[*:1] O=C(NC1CCCCC1)N[C@H](Cn1cccn1)[*:1]
CC(C)(C)[C@@H](Cn1cccn1)NC(=O)NC1CCCCC1 c1cnn(c1)C[*:1] CC(C)(C)[C@@H](NC(=O)NC1CCCCC1)[*:1]
CC(C)(C)[C@@H](Cn1cccn1)NC(=O)NC1CCCCC1 c1cnn(c1)[*:1] CC(C)(C)[C@@H](C[*:1])NC(=O)NC1CCCCC1
CC(C)(C)[C@@H](Cn1cccn1)NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC(C)(C)[C@@H](Cn1cccn1)NC(=O)N[*:1]
CSc1sc(C#N)c2c1/C(=N\OC(=O)c1ccccc1Cl)CCC2 Clc1ccccc1[*:1] CSc1sc(C#N)c2CCC/C(=N/OC(=O)[*:1])c12
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 CC(C)[*:1] Cn1c(=O)c2ccc(nc2n(C)c1=O)C(=O)N(C[C@@H]1CCCCO1)[*:1]
CC(C)N(C[C@@H]1CCCCO1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 C1CC[C@@H](C[*:1])OC1 CC(C)N(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[*:1]
C[C@@H]1CCCCN1C(=O)Cn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21 CN(C(=O)c1ccccn1)[*:1] C[C@@H]1CCCCN1C(=O)Cn1c(C[*:1])nc2ccccc21
C[C@@H]1CCCCN1C(=O)Cn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21 c1ccc(nc1)[*:1] C[C@@H]1CCCCN1C(=O)Cn1c(CN(C)C(=O)[*:1])nc2ccccc21
Cn1nc(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc2c1=O c1cc2OCCOc2cc1[*:1] Cn1nc(CC(=O)N2CCC[C@H]2[*:1])c2ccccc2c1=O
CCNc1ccc(C[NH3+])cc1 CCN[*:1] [NH3+]Cc1ccc(cc1)[*:1]
N/C(=N/OCC(=O)N(Cc1ccccc1)C1CC1)C(F)(F)F c1ccc(cc1)[*:1] N/C(=N/OCC(=O)N(C[*:1])C1CC1)C(F)(F)F
N/C(=N/OCC(=O)N(Cc1ccccc1)C1CC1)C(F)(F)F C1CC1[*:1] N/C(=N/OCC(=O)N(Cc1ccccc1)[*:1])C(F)(F)F
N/C(=N/OCC(=O)N(Cc1ccccc1)C1CC1)C(F)(F)F c1ccc(cc1)C[*:1] N/C(=N/OCC(=O)N(C1CC1)[*:1])C(F)(F)F
N/C(=N/OCC(=O)N(Cc1ccccc1)C1CC1)C(F)(F)F FC(F)(F)[*:1] N/C(=N/OCC(=O)N(Cc1ccccc1)C1CC1)[*:1]
C=CCS(=O)(=O)N1C[C@@H](CC)[NH2+]C[C@H]1CC C=CC[*:1] CC[C@@H]1CN([C@H](CC)C[NH2+]1)S(=O)(=O)[*:1]
CC(C)c1ccc(C[C@H](O)CCC(F)(F)F)cc1 CC(C)[*:1] O[C@H](CCC(F)(F)F)Cc1ccc(cc1)[*:1]
CC(C)c1ccc(C[C@H](O)CCC(F)(F)F)cc1 FC(F)(F)C[*:1] CC(C)c1ccc(cc1)C[C@H](O)C[*:1]
CC(C)c1ccc(C[C@H](O)CCC(F)(F)F)cc1 FC(F)(F)CC[*:1] CC(C)c1ccc(cc1)C[C@H](O)[*:1]
CC(C)c1ccc(C[C@H](O)CCC(F)(F)F)cc1 FC(F)(F)[*:1] CC(C)c1ccc(cc1)C[C@H](O)CC[*:1]
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)NC(C)C)CC1 CC(C)[*:1] Cc1nn(c(C)c1N1CCN(CC1)CC(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)NC(C)C)CC1 CC(C)NC(=O)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)NC(C)C)CC1 CC(C)NC(=O)C[*:1] Cc1nn(c(C)c1N1CCN(CC1)[*:1])[C@H]1CCS(=O)(=O)C1
C[NH+]1CCN(C(=O)CNC(=O)OCc2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)C(=O)CNC(=O)OC[*:1]
C[NH+]1CCN(C(=O)CNC(=O)OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[NH+]1CCN(CC1)C(=O)CNC(=O)O[*:1]
Cc1csc(N2CCN(CC(=O)NCc3ccccn3)CC2)n1 Cc1csc(n1)[*:1] O=C(CN1CCN(CC1)[*:1])NCc1ccccn1
Cc1csc(N2CCN(CC(=O)NCc3ccccn3)CC2)n1 c1ccc(C[*:1])nc1 Cc1csc(n1)N1CCN(CC1)CC(=O)N[*:1]
Cc1csc(N2CCN(CC(=O)NCc3ccccn3)CC2)n1 c1ccc(nc1)[*:1] Cc1csc(n1)N1CCN(CC1)CC(=O)NC[*:1]
COc1ccccc1COC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 NC(=O)[*:1] COc1ccccc1COC1CC[NH+](CC1)Cc1cccc(c1)[*:1]
COc1ccccc1COC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 COc1ccccc1[*:1] NC(=O)c1cccc(c1)C[NH+]1CCC(CC1)OC[*:1]
Cc1cc(S(=O)(=O)NCCNS(C)(=O)=O)ccc1Br CS(=O)(=O)NC[*:1] Cc1cc(ccc1Br)S(=O)(=O)NC[*:1]
Cc1cc(S(=O)(=O)NCCNS(C)(=O)=O)ccc1Br CS(=O)(=O)N[*:1] Cc1cc(ccc1Br)S(=O)(=O)NCC[*:1]
CCCN1CCO[C@@H]([C@@H](CC)[NH2+]C)C1 CCC[*:1] CC[C@@H]([NH2+]C)[C@H]1CN(CCO1)[*:1]
COc1ccc(C[NH+]2CCCN(c3ncccn3)CC2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])C[NH+]1CCCN(CC1)c1ncccn1
COc1ccc(C[NH+]2CCCN(c3ncccn3)CC2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])C[NH+]1CCCN(CC1)c1ncccn1
COc1ccc(C[NH+]2CCCN(c3ncccn3)CC2)cc1OC(F)F c1cnc(nc1)[*:1] COc1ccc(cc1OC(F)F)C[NH+]1CCCN(CC1)[*:1]
C[C@H](C(=O)N1CCCC1)N1CCN(c2ccc(Cl)c(C#N)n2)CC1 O=C(N1CCCC1)[*:1] C[C@H](N1CCN(CC1)c1ccc(Cl)c(C#N)n1)[*:1]
CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1COC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1COC[C@H]1[*:1]
CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1COC[C@@H]1C(=O)[O-] O=[N+]([O-])[*:1] CN(Cc1cc(Cl)ccc1[*:1])[C@H]1COC[C@@H]1C(=O)[O-]
Cc1ccc(NC(=O)c2sccc2C2CC2)cc1C(=O)NC(C)C c1cc(c(s1)[*:1])C1CC1 Cc1ccc(cc1C(=O)NC(C)C)NC(=O)[*:1]
Cc1ccc(NC(=O)c2sccc2C2CC2)cc1C(=O)NC(C)C CC(C)[*:1] Cc1ccc(cc1C(=O)N[*:1])NC(=O)c1sccc1C1CC1
Cc1ccc(NC(=O)c2sccc2C2CC2)cc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1sccc1C1CC1
Cc1ccc(NC(=O)c2sccc2C2CC2)cc1C(=O)NC(C)C C1CC1[*:1] Cc1ccc(cc1C(=O)NC(C)C)NC(=O)c1sccc1[*:1]
O=C1NC2(CC[NH+](Cc3ccccc3)CC2)N=C1c1cccc(Cl)c1 c1ccc(cc1)C[*:1] O=C1NC2(CC[NH+](CC2)[*:1])N=C1c1cccc(Cl)c1
O=C1NC2(CC[NH+](Cc3ccccc3)CC2)N=C1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1NC2(CC[NH+](CC2)Cc2ccccc2)N=C1[*:1]
O=C1NC2(CC[NH+](Cc3ccccc3)CC2)N=C1c1cccc(Cl)c1 c1ccc(cc1)[*:1] O=C1NC2(CC[NH+](CC2)C[*:1])N=C1c1cccc(Cl)c1
CCOC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1N CCOC(=O)[*:1] CC(C)c1ccc(cc1)-n1ncc(c1N)[*:1]
CCOC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1N CC(C)[*:1] CCOC(=O)c1cnn(-c2ccc(cc2)[*:1])c1N
CC(=O)c1ccc(NC(=O)CSc2nc(C(C)(C)C)cs2)cc1 CC(=O)[*:1] CC(C)(C)c1csc(n1)SCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nc(C(C)(C)C)cs2)cc1 CC(C)(C)[*:1] CC(=O)c1ccc(cc1)NC(=O)CSc1nc(cs1)[*:1]
CC(C)(CNC(=O)/C=C/C1CC1)c1ccccc1Cl C(=C[*:1])C1CC1 CC(C)(CNC(=O)[*:1])c1ccccc1Cl
CC(C)(CNC(=O)/C=C/C1CC1)c1ccccc1Cl C1CC1[*:1] CC(C)(CNC(=O)C=C[*:1])c1ccccc1Cl
CCn1cc(C(=O)Nc2cc(C)ccn2)c(=O)c2cc(Cl)ccc21 Cc1ccnc(c1)[*:1] CCn1cc(C(=O)N[*:1])c(=O)c2cc(Cl)ccc21
COc1ccc(OC)c(-c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2)c1 COc1ccc(OC)c(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1cc(nc2ccccc12)[*:1]
Cc1cc(C(=O)NCc2c(C)n[nH]c2C)c2cccc(C)c2n1 Cc1n[nH]c(C)c1[*:1] Cc1cc(C(=O)NC[*:1])c2cccc(C)c2n1
COC(=O)[C@@H](CO)NC(=O)c1cn(Cc2ccccc2F)nn1 COC(=O)[*:1] O=C(N[C@H](CO)[*:1])c1cn(Cc2ccccc2F)nn1
COC(=O)[C@@H](CO)NC(=O)c1cn(Cc2ccccc2F)nn1 COC(=O)[C@@H](CO)[*:1] O=C(N[*:1])c1cn(Cc2ccccc2F)nn1
COC(=O)[C@@H](CO)NC(=O)c1cn(Cc2ccccc2F)nn1 Fc1ccccc1[*:1] COC(=O)[C@@H](CO)NC(=O)c1cn(C[*:1])nn1
CCOc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cn1 CCO[*:1] O=C(c1ccc(nc1)[*:1])N1CCC[C@@H](C1)n1cc[nH+]c1
O=C(Cn1cc(Br)ccc1=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Cn1cc(Br)ccc1=O)Nc1ccc(cc1)[*:1]
C[C@@H](c1ccccn1)N(C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 c1ccc(nc1)[*:1] C[C@@H](N(C)Cc1nc(no1)-c1cc(F)c(F)c(F)c1)[*:1]
C[C@@H](c1ccccn1)N(C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 C[C@@H](c1ccccn1)[*:1] CN(Cc1nc(no1)-c1cc(F)c(F)c(F)c1)[*:1]
Cc1ccc(F)c(C(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c1 O=C([O-])[*:1] Cc1ccc(F)c(c1)C(=O)N[C@@H]1C=C[C@@H](C1)[*:1]
CCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 Cc1c(Cl)cccc1[*:1] CCSc1nc2NC(=O)C[C@@H](C(=O)N[*:1])c2c(=O)[nH]1
CCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 CCS[*:1] Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc([nH]c(=O)c21)[*:1]
CCCNC(=O)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] CCCNC(=O)NC(=O)COc1ccc(c(C)c1)[*:1]
CCCNC(=O)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 CCC[*:1] Cc1cc(ccc1[N+](=O)[O-])OCC(=O)NC(=O)N[*:1]
CO[C@@H](C(=O)N[C@H](CO)C(C)C)c1ccccc1 CC(C)[*:1] CO[C@@H](C(=O)N[C@H](CO)[*:1])c1ccccc1
CO[C@@H](C(=O)N[C@H](CO)C(C)C)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)N[C@H](CO)C(C)C)[*:1]
CO[C@@H](C(=O)N[C@H](CO)C(C)C)c1ccccc1 CC(C)[C@@H](CO)[*:1] CO[C@@H](C(=O)N[*:1])c1ccccc1
CCCc1[nH+]ccn1[C@@H](C)[C@@H](C)C(=O)OC COC(=O)[*:1] CCCc1[nH+]ccn1[C@@H](C)[C@@H](C)[*:1]
CCCc1[nH+]ccn1[C@@H](C)[C@@H](C)C(=O)OC CCC[*:1] COC(=O)[C@H](C)[C@H](C)n1cc[nH+]c1[*:1]
Cc1ccc(NC(=O)c2cn(C)nc2C)cc1S(=O)(=O)NC1CC1 Cc1nn(C)cc1[*:1] Cc1ccc(cc1S(=O)(=O)NC1CC1)NC(=O)[*:1]
Cc1ccc(NC(=O)c2cn(C)nc2C)cc1S(=O)(=O)NC1CC1 C1CC1[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])NC(=O)c1cn(C)nc1C
Cc1ccc(NC(=O)c2cn(C)nc2C)cc1S(=O)(=O)NC1CC1 O=S(=O)(NC1CC1)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cn(C)nc1C
O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(cc1)[*:1]
O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(cc1)O[*:1]
CC[C@@H]1c2ccsc2CCN1Cc1nc(-c2ccccc2OC)no1 COc1ccccc1[*:1] CC[C@@H]1c2ccsc2CCN1Cc1nc(no1)[*:1]
Cc1cc(NC(=O)[C@H](C)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)no1 Cc1cc(no1)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C1=[NH+]CC(C)(C)S1
O[C@H](CSc1ccc(Cl)cc1)[C@H]1CCCc2cccnc21 Clc1ccc(cc1)[*:1] O[C@H](CS[*:1])[C@H]1CCCc2cccnc21
CC(=O)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 c1ccc(cc1)[*:1] CC(=O)Oc1ccc(/C=C2/SC(=N[*:1])N(C2=O)C(C)C)cc1
CC(=O)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 CC(=O)O[*:1] CC(C)N1C(=O)/C(=C\c2ccc(cc2)[*:1])S/C1=N\c1ccccc1
CC(=O)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 CC(C)[*:1] CC(=O)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C2=O)[*:1])cc1
COc1ccccc1C[C@@H]1CCCN1c1cc(C(N)=O)ccn1 NC(=O)[*:1] COc1ccccc1C[C@@H]1CCCN1c1cc(ccn1)[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1Br COC(=O)[*:1] C[C@H](NC(=O)c1ccc(F)cc1Br)[*:1]
COc1cccc(C[C@@H](NC(C)=O)C(=O)NN2Cc3ccccc3C2)c1 COc1cccc(c1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)NN1Cc2ccccc2C1
COc1cccc(C[C@@H](NC(C)=O)C(=O)NN2Cc3ccccc3C2)c1 CC(=O)N[*:1] COc1cccc(c1)C[C@@H](C(=O)NN1Cc2ccccc2C1)[*:1]
C[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C1CCC1 C1CC(C1)[*:1] C[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N1[*:1]
CNC(=O)NCc1[nH]c(-c2ccccc2)c[nH+]1 CNC(=O)N[*:1] c1ccc(cc1)-c1c[nH+]c(C[*:1])[nH]1
COc1ccc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] Cc1cccc(C)c1[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)N(C)CC(=O)N[*:1]
COc1ccc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)N(C)CC(=O)Nc1c(C)cccc1C
C[C@@H](C(=O)N1CCSCC1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N1CCSCC1)[*:1]
C[C@@H](NC(=O)Nc1ccc(F)c(C(N)=O)c1)c1cccc2ccccc12 NC(=O)[*:1] C[C@@H](NC(=O)Nc1ccc(F)c(c1)[*:1])c1cccc2ccccc12
CCSc1ccccc1NC(=O)c1ccc(C[NH3+])o1 CCS[*:1] [NH3+]Cc1ccc(o1)C(=O)Nc1ccccc1[*:1]
Cc1ccc(-n2ncc(C(=O)Nc3ccccc3Br)c2C2CC[NH2+]CC2)cc1 Brc1ccccc1[*:1] Cc1ccc(cc1)-n1ncc(C(=O)N[*:1])c1C1CC[NH2+]CC1
Cc1ccc(-n2ncc(C(=O)Nc3ccccc3Br)c2C2CC[NH2+]CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1Br)c1cnn(c1C1CC[NH2+]CC1)[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)c1cccc(OC(F)F)c1 FC(F)[*:1] COC(=O)c1cccc2c1CCCN2C(=O)c1cccc(c1)O[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)c1cccc(OC(F)F)c1 COC(=O)[*:1] O=C(c1cccc(c1)OC(F)F)N1CCCc2c1cccc2[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)c1cccc(OC(F)F)c1 FC(F)O[*:1] COC(=O)c1cccc2c1CCCN2C(=O)c1cccc(c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)CC2CCCC2)CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C(=O)CC1CCCC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)CC2CCCC2)CC1 C1CCC(C1)[*:1] Cc1nn(-c2ccccc2)c(C)c1N1CCN(CC1)C(=O)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)CC2CCCC2)CC1 C1CCC(C1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1N1CCN(CC1)C(=O)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CCN1C(=O)CCC1=O O=C([O-])[*:1] CC[NH2+][C@]1(CCC[C@H]1CCN1C(=O)CCC1=O)[*:1]
COc1cccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@H]1CC(=O)N(C1)[C@@H](C)[*:1]
COc1cccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 COc1cccc(c1)[*:1] C[C@@H](c1ccccc1)N1C[C@H](CC1=O)C(=O)N[*:1]
COc1cccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 C[C@@H](c1ccccc1)[*:1] COc1cccc(c1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccccc1CNC(=O)CCCN1C(=O)CCn2nc(C)cc21 COc1ccccc1[*:1] Cc1cc2N(CCCC(=O)NC[*:1])C(=O)CCn2n1
C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 O=C(N[*:1])C(F)(F)F C[C@@H]1CCC[C@H](C1)NS(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 FC(F)(F)[*:1] C[C@@H]1CCC[C@H](C1)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
C[NH+](C)Cc1cc(CNC(=O)C[C@@H](O)c2ccccc2)ccc1F c1ccc(cc1)[*:1] C[NH+](C)Cc1cc(ccc1F)CNC(=O)C[C@@H](O)[*:1]
C[NH+](C)Cc1cc(CNC(=O)C[C@@H](O)c2ccccc2)ccc1F O[C@@H](c1ccccc1)[*:1] C[NH+](C)Cc1cc(ccc1F)CNC(=O)C[*:1]
COC(=O)c1c(C)cc(OCc2ccccc2)cc1O COC(=O)[*:1] Cc1cc(cc(O)c1[*:1])OCc1ccccc1
COC(=O)c1c(C)cc(OCc2ccccc2)cc1O c1ccc(cc1)[*:1] COC(=O)c1c(C)cc(cc1O)OC[*:1]
CC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC[C@@H](C)[NH2+][C@H]1CCCN(C1)C(=O)O[*:1]
CCCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4cccc5ccccc45)C(=O)[C@@H]13)O2 CCC[*:1] O=C(O[*:1])[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)c1cccc3ccccc13)O2
CCCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4cccc5ccccc45)C(=O)[C@@H]13)O2 CCCOC(=O)[*:1] O=C1[C@H]2[C@@H]([C@@H]3C=C[C@@]2(CN1c1cccc2ccccc12)O3)[*:1]
CCC[C@H]1CCc2c(sc(=O)n2CN2CCC(C)(C(=O)OCC)CC2)C1 CCC[*:1] CCOC(=O)C1(C)CCN(CC1)Cn1c2CC[C@@H](Cc2sc1=O)[*:1]
CCC[C@H]1CCc2c(sc(=O)n2CN2CCC(C)(C(=O)OCC)CC2)C1 CCOC(=O)[*:1] CCC[C@H]1CCc2c(C1)sc(=O)n2CN1CCC(C)(CC1)[*:1]
CC[C@@H](C)CN(C)C(=O)Nc1cccc(C)c1Cl CC[C@@H](C)[*:1] Cc1cccc(NC(=O)N(C)C[*:1])c1Cl
CC[C@@H](C)CN(C)C(=O)Nc1cccc(C)c1Cl CC[C@@H](C)C[*:1] Cc1cccc(NC(=O)N(C)[*:1])c1Cl
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)CCCl)CC1)c1ccc(F)cc1 O=C(N[*:1])c1ccc(F)cc1 O=C(N[C@@H]1CCCC[C@H]1[*:1])C1CCN(CC1)C(=O)CCCl
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)CCCl)CC1)c1ccc(F)cc1 ClCC[*:1] O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(CC1)C(=O)[*:1])c1ccc(F)cc1
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)CCCl)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(N[C@@H]1CCCC[C@H]1NC(=O)[*:1])C1CCN(CC1)C(=O)CCCl
COc1cc(C)ccc1OC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 Cc1ccc(cc1)C[*:1] COc1cc(C)ccc1OC(=O)[C@H]1CCC(=O)N1[*:1]
COc1cc(C)ccc1OC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1cc(C)ccc1OC(=O)[C@H]1CCC(=O)N1C[*:1]
O=[N+]([O-])c1ccc(Br)cc1N[C@H]1c2ccccc2C[C@@H]1O O=[N+]([O-])[*:1] O[C@H]1Cc2ccccc2[C@@H]1Nc1cc(Br)ccc1[*:1]
COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(F)cc3)oc2C)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)c1cc(oc1C)[*:1]
COc1ccc(CCN2C(=O)O[C@@H]3CN(S(=O)(=O)N4CCCC4)C[C@@H]32)cc1 COc1ccc(cc1)C[*:1] O=C1O[C@@H]2CN(C[C@@H]2N1C[*:1])S(=O)(=O)N1CCCC1
COc1ccc(CCN2C(=O)O[C@@H]3CN(S(=O)(=O)N4CCCC4)C[C@@H]32)cc1 COc1ccc(cc1)[*:1] O=C1O[C@@H]2CN(C[C@@H]2N1CC[*:1])S(=O)(=O)N1CCCC1
O=C(CN1CCCOC1=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 O=C1OCCCN1[*:1] O=C(C[*:1])N1CCC[C@H](C1)[NH+]1CCCCCC1
COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cc(OC)c1OC(F)F FC(F)[*:1] COc1cc(cc(OC)c1O[*:1])C(=O)N(C)[C@H]1CCCC[C@H]1C
COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cc(OC)c1OC(F)F FC(F)O[*:1] COc1cc(cc(OC)c1[*:1])C(=O)N(C)[C@H]1CCCC[C@H]1C
CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(C(C)C)cc1 CCOC(=O)[*:1] Cc1nnc2S[C@H]([C@H](Nn12)c1ccc(cc1)C(C)C)[*:1]
CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(cc1)[*:1]
C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1 Clc1ccc(cc1)[*:1] C[C@H]1CCCN(C1)C(=O)CSc1nnc(o1)[*:1]
COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(cc1)[*:1]
COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(C)(C)C)cc1 COC(=O)[*:1] CC1Nc2ncnn2[C@@H](C=1[*:1])c1ccc(cc1)C(C)(C)C
Cc1noc(C)c1[C@@H](C)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] Cc1noc(C)c1[C@@H](C)C[NH2+][C@H]1CCC[C@H](C1)[*:1]
C[NH+](CCCO)CC(=O)Nc1cc(F)cc(F)c1 OCCC[*:1] C[NH+](CC(=O)Nc1cc(F)cc(F)c1)[*:1]
C[NH+](CCCO)CC(=O)Nc1cc(F)cc(F)c1 OCC[*:1] C[NH+](CC(=O)Nc1cc(F)cc(F)c1)C[*:1]
O=C(CSc1nncs1)N1CC=C(c2ccccc2Cl)CC1 c1nnc(SC[*:1])s1 O=C(N1CC=C(CC1)c1ccccc1Cl)[*:1]
O=C(CSc1nncs1)N1CC=C(c2ccccc2Cl)CC1 c1nnc(S[*:1])s1 O=C(C[*:1])N1CC=C(CC1)c1ccccc1Cl
O=C(CSc1nncs1)N1CC=C(c2ccccc2Cl)CC1 c1nnc(s1)[*:1] O=C(CS[*:1])N1CC=C(CC1)c1ccccc1Cl
O=C(CSc1nncs1)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(CSc1nncs1)N1CC=C(CC1)[*:1]
O=C(/C=C/c1ccco1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 c1coc(c1)[*:1] O=C(C=C[*:1])N1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)c1ccccc1F
O=C(/C=C/c1ccco1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 C(=C[*:1])c1ccco1 O=C([C@H]1CC(=O)N(C1)c1ccccc1F)N1CCN(CC1)C(=O)[*:1]
O=C(/C=C/c1ccco1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 Fc1ccccc1[*:1] O=C(/C=C/c1ccco1)N1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
N#Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc2OCCOc2c1)[*:1]
N#Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 c1cc2OCCOc2cc1[*:1] N#Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[*:1])c1ccccc1
N#Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CN(c1ccccc1)S(=O)(=O)[*:1])Nc1ccc2OCCOc2c1
CCCOCc1ccccc1CNC(=O)N1CC[NH+](C2CCCC2)CC1 CCC[*:1] O=C(NCc1ccccc1CO[*:1])N1CC[NH+](CC1)C1CCCC1
CCCOCc1ccccc1CNC(=O)N1CC[NH+](C2CCCC2)CC1 CCCOC[*:1] O=C(NCc1ccccc1[*:1])N1CC[NH+](CC1)C1CCCC1
CCCOCc1ccccc1CNC(=O)N1CC[NH+](C2CCCC2)CC1 CCCO[*:1] O=C(NCc1ccccc1C[*:1])N1CC[NH+](CC1)C1CCCC1
CC(=O)c1c(C)[nH]c(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c1C c1ccc(cc1)C[*:1] CC(=O)c1c(C)[nH]c(C(=O)Nc2cccn(c2=O)[*:1])c1C
CC(=O)c1c(C)[nH]c(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c1C c1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)Nc2cccn(C[*:1])c2=O)c1C
COc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] COc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cn1cnc(CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 FC(F)(F)[*:1] Cn1cnc(CNC(=O)C(=O)Nc2ccc(Cl)cc2[*:1])n1
Cn1cnc(CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(Cl)cc1C(F)(F)F
Cn1cnc(CNC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 Cn1cnc(C[*:1])n1 O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N[*:1]
Cc1ccc(CC(=O)/N=C2/S[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)cc1 Cc1ccc(cc1)C[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)[*:1]
Cc1ccc(CC(=O)/N=C2/S[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1C[*:1]
Cc1ccc(CC(=O)/N=C2/S[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] Cc1ccc(cc1)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[*:1]
Cc1ccc(CC(=O)/N=C2/S[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1
Cc1ccc(CN(C)C(=O)c2cc3c(F)cccc3[nH]2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)c1cc2c(F)cccc2[nH]1)[*:1]
Cc1ccc(CN(C)C(=O)c2cc3c(F)cccc3[nH]2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)c1cc2c(F)cccc2[nH]1
C#CCN(CC(=O)Nc1nncs1)[C@H]1CCc2ccccc21 c1nnc(s1)[*:1] C#CCN(CC(=O)N[*:1])[C@H]1CCc2ccccc21
C#CCN(CC(=O)Nc1nncs1)[C@H]1CCc2ccccc21 C#CC[*:1] O=C(CN([C@H]1CCc2ccccc21)[*:1])Nc1nncs1
COc1cccc(OS(=O)(=O)c2ccc(CNC(C)=O)cc2)c1 CC(=O)NC[*:1] COc1cccc(c1)OS(=O)(=O)c1ccc(cc1)[*:1]
COc1cccc(OS(=O)(=O)c2ccc(CNC(C)=O)cc2)c1 CC(=O)N[*:1] COc1cccc(c1)OS(=O)(=O)c1ccc(cc1)C[*:1]
Cc1[nH]cnc1C[NH+]1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1 Fc1cccc(c1)O[*:1] Cc1[nH]cnc1C[NH+]1CCC(CC1)(C(=O)[O-])[*:1]
Cc1[nH]cnc1C[NH+]1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1 O=C([O-])[*:1] Cc1[nH]cnc1C[NH+]1CCC(CC1)(Oc1cccc(F)c1)[*:1]
Cc1[nH]cnc1C[NH+]1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1 Fc1cccc(c1)[*:1] Cc1[nH]cnc1C[NH+]1CCC(CC1)(O[*:1])C(=O)[O-]
Cc1[nH]cnc1C[NH+]1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1 Cc1[nH]cnc1[*:1] O=C([O-])C1(CC[NH+](CC1)C[*:1])Oc1cccc(F)c1
Cc1[nH]cnc1C[NH+]1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1 Cc1[nH]cnc1C[*:1] O=C([O-])C1(CC[NH+](CC1)[*:1])Oc1cccc(F)c1
O=C(N[C@@H](CO)Cc1ccccc1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H](CO)C[*:1])OCc1ccccc1
O=C(N[C@@H](CO)Cc1ccccc1)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H](CO)Cc1ccccc1)OC[*:1]
O=C(N[C@@H](CO)Cc1ccccc1)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@@H](CO)Cc1ccccc1)O[*:1]
O=C(N[C@@H](CO)Cc1ccccc1)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@@H](CO)[*:1])OCc1ccccc1
C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2nc(-c3ccsc3)no2)C1 c1cc(cs1)[*:1] C[C@H]1CC(C)(C)C[C@@](CO)(C1)[NH2+]Cc1nc(no1)[*:1]
C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)CCN2C1=O C[C@@H](OCc1ccccc1)[*:1] O=C1N[C@H](C(=O)N2CCN(Cc3cnn(c3)-c3ccccc3Cl)C[C@H]12)[*:1]
C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)CCN2C1=O c1ccc(cc1)CO[*:1] C[C@@H]([C@@H]1NC(=O)[C@H]2CN(CCN2C1=O)Cc1cnn(c1)-c1ccccc1Cl)[*:1]
C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)CCN2C1=O c1ccc(cc1)C[*:1] C[C@@H](O[*:1])[C@@H]1NC(=O)[C@H]2CN(CCN2C1=O)Cc1cnn(c1)-c1ccccc1Cl
C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)CCN2C1=O c1ccc(cc1)[*:1] C[C@@H](OC[*:1])[C@@H]1NC(=O)[C@H]2CN(CCN2C1=O)Cc1cnn(c1)-c1ccccc1Cl
C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)CCN2C1=O Clc1ccccc1[*:1] C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(CCN2C1=O)Cc1cnn(c1)[*:1]
Cc1ccc(NC(=O)Cc2csc(-c3cnccn3)n2)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)Cc1csc(n1)-c1cnccn1
Cc1ccc(NC(=O)Cc2csc(-c3cnccn3)n2)cc1C(F)(F)F c1cnc(cn1)[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)Cc1csc(n1)[*:1]
N#Cc1ccc(Sc2nnc(-c3ccncc3)n2-c2ccccc2)nc1 N#Cc1ccc(nc1)[*:1] c1ccc(cc1)-n1c(nnc1-c1ccncc1)S[*:1]
N#Cc1ccc(Sc2nnc(-c3ccncc3)n2-c2ccccc2)nc1 c1ccc(cc1)[*:1] N#Cc1ccc(nc1)Sc1nnc(-c2ccncc2)n1[*:1]
N#Cc1ccc(Sc2nnc(-c3ccncc3)n2-c2ccccc2)nc1 c1cc(ccn1)[*:1] N#Cc1ccc(nc1)Sc1nnc(n1-c1ccccc1)[*:1]
CC[C@@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(Cc2cccc(OC)c2)C1=O COc1cccc(c1)[*:1] CC[C@@H]1Oc2ccc(cc2N(C[*:1])C1=O)[C@H](O)c1ccco1
CC[C@@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(Cc2cccc(OC)c2)C1=O COc1cccc(c1)C[*:1] CC[C@@H]1Oc2ccc(cc2N(C1=O)[*:1])[C@H](O)c1ccco1
CC[C@@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(Cc2cccc(OC)c2)C1=O c1coc(c1)[*:1] CC[C@@H]1Oc2ccc(cc2N(Cc2cccc(c2)OC)C1=O)[C@H](O)[*:1]
CC[C@@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(Cc2cccc(OC)c2)C1=O O[C@H](c1ccco1)[*:1] CC[C@@H]1Oc2ccc(cc2N(Cc2cccc(c2)OC)C1=O)[*:1]
O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccoc1 O=C(N[*:1])c1ccoc1 O=C(Nc1ccc(F)cc1)c1ccc(cc1)C[*:1]
O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccoc1 c1cc(co1)[*:1] O=C(Nc1ccc(F)cc1)c1ccc(cc1)CNC(=O)[*:1]
O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccoc1 Fc1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)C(=O)N[*:1])c1ccoc1
CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2c(C)noc2C)c1 CCNS(=O)(=O)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)c1cccc(c1)[*:1]
CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2c(C)noc2C)c1 Cc1noc(C)c1[*:1] CCNS(=O)(=O)c1cccc(c1)C(=O)N[C@H](C)[*:1]
Cc1cc(C)n(-c2nc(C(C)C)cc(N3CC[C@@H]([NH3+])C3)n2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1nc(cc(n1)[*:1])N1CC[C@@H]([NH3+])C1
Cc1cc(C)n(-c2nc(C(C)C)cc(N3CC[C@@H]([NH3+])C3)n2)n1 Cc1cc(C)n(n1)[*:1] CC(C)c1cc(nc(n1)[*:1])N1CC[C@@H]([NH3+])C1
N/C(Nc1cccc(Oc2ccccc2)c1)=[NH+]\CCO c1ccc(cc1)[*:1] N/C(Nc1cccc(c1)O[*:1])=[NH+]\CCO
COc1ccccc1NC(=O)Cn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C COc1ccccc1[*:1] Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CC(=O)N[*:1]
COc1ccccc1NC(=O)Cn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C c1ccc(cc1)[*:1] COc1ccccc1NC(=O)Cn1c(C)c2cnn(c(=O)c2c1C)[*:1]
Cn1nc2n(c1=O)CCN(CC1(CN3CCOCC3)CCCCC1)C2 C1CN(CCO1)[*:1] Cn1nc2CN(CCn2c1=O)CC1(CCCCC1)C[*:1]
Cn1nc2n(c1=O)CCN(CC1(CN3CCOCC3)CCCCC1)C2 C1CN(CCO1)C[*:1] Cn1nc2CN(CCn2c1=O)CC1(CCCCC1)[*:1]
CC(C)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 CC(C)[*:1] C[C@@H](NC(=O)[*:1])c1ccc(Cl)c(Cl)c1
O=C(CN1CCN(C(=O)c2ccccc2)CC1)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CN1CCN(CC1)C(=O)c1ccccc1)N[*:1]
O=C(CN1CCN(C(=O)c2ccccc2)CC1)NC1CCCCCC1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])NC1CCCCCC1
Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)[C@H](C)Cl)cc12 O=C(c1ccccc1)[*:1] Cc1c(oc2ccc(cc12)NC(=O)[C@H](C)Cl)[*:1]
Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)[C@H](C)Cl)cc12 C[C@H](Cl)C(=O)N[*:1] Cc1c(oc2ccc(cc12)[*:1])C(=O)c1ccccc1
Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)[C@H](C)Cl)cc12 c1ccc(cc1)[*:1] Cc1c(oc2ccc(cc12)NC(=O)[C@H](C)Cl)C(=O)[*:1]
COCCN1C[C@@H](C2CC2)[NH2+]Cc2ccccc21 COC[*:1] c1ccc2c(c1)C[NH2+][C@@H](CN2C[*:1])C1CC1
COCCN1C[C@@H](C2CC2)[NH2+]Cc2ccccc21 C1CC1[*:1] COCCN1C[C@@H]([NH2+]Cc2ccccc21)[*:1]
COCCN1C[C@@H](C2CC2)[NH2+]Cc2ccccc21 COCC[*:1] c1ccc2c(c1)C[NH2+][C@@H](CN2[*:1])C1CC1
O=C(C1CCCC1)N1CCC[C@@H]1c1ccccc1 C1CCC(C1)[*:1] O=C(N1CCC[C@@H]1c1ccccc1)[*:1]
O=C(C1CCCC1)N1CCC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(C1CCCC1)N1CCC[C@H]1[*:1]
Cc1ccccc1COc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 Cc1ccccc1CO[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC(CC1)n1cc[nH+]c1
Cc1ccccc1COc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 Cc1ccccc1[*:1] O=C(Nc1cccc(c1)OC[*:1])N1CCC(CC1)n1cc[nH+]c1
Cc1ccccc1COc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 Cc1ccccc1C[*:1] O=C(Nc1cccc(c1)O[*:1])N1CCC(CC1)n1cc[nH+]c1
Cc1ccc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1cccc(Cl)c1
Cc1ccc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C Clc1cccc(c1)[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)N1CCN(CC1)[*:1]
C=CCc1ccc(OC(=O)c2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] C=CCc1ccc(OC(=O)[*:1])c(c1)OC
C=CCc1ccc(OC(=O)c2ccccc2)c(OC)c1 C=CC[*:1] COc1cc(ccc1OC(=O)c1ccccc1)[*:1]
CC(=O)Nc1ccc(C[NH+]2CCN(CCO)CC2)cc1 CC(=O)N[*:1] OCCN1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C[NH+]2CCN(CCO)CC2)cc1 OCC[*:1] CC(=O)Nc1ccc(cc1)C[NH+]1CCN(CC1)[*:1]
COc1ccccc1CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 COc1ccccc1C[*:1] Cc1ccc(cc1)NC(=O)C(=O)N1CCN(CC1)[*:1]
COc1ccccc1CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 Cc1ccc(cc1)[*:1] COc1ccccc1CN1CCN(CC1)C(=O)C(=O)N[*:1]
COc1ccccc1CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 COc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)C(=O)N1CCN(CC1)C[*:1]
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(N[C@@H]3CC(C)C)C(=O)N(C)c3ccccc32)cc1 CC(C)C[*:1] CC(=O)Nc1ccc(cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(N[C@H]2[*:1])C(=O)N(C)c2ccccc21
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(N[C@@H]3CC(C)C)C(=O)N(C)c3ccccc32)cc1 CC(=O)N[*:1] CC(C)C[C@H]1N[C@@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(C(=O)[C@@H]21)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(N[C@@H]3CC(C)C)C(=O)N(C)c3ccccc32)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC(C)C[C@H]1N[C@@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1]
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(N[C@@H]3CC(C)C)C(=O)N(C)c3ccccc32)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(N[C@@H]2C[*:1])C(=O)N(C)c2ccccc21
FC(F)(F)c1cc(I)cnc1Cl FC(F)(F)[*:1] Clc1ncc(I)cc1[*:1]
Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)c(N(C)C)c1 O=[N+]([O-])[*:1] Cc1ccc(CNC(=O)Cn2cc(nc2C)[*:1])c(c1)N(C)C
Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNC(=O)Cn2cc(nc2C)[N+](=O)[O-])c(c1)[*:1]
CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 Cc1ccc(c(C)c1)[*:1] CC(=O)Oc1ccc(/C=C(/C#N)c2nc(cs2)[*:1])cc1
CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 CC(=O)O[*:1] Cc1ccc(-c2csc(n2)/C(C#N)=C\c2ccc(cc2)[*:1])c(C)c1
C[NH+](C)CCN(Cc1ccco1)C(=O)c1cnc(-c2ccccc2)nc1 c1ccc(cc1)[*:1] C[NH+](C)CCN(Cc1ccco1)C(=O)c1cnc(nc1)[*:1]
C[NH+](C)CCN(Cc1ccco1)C(=O)c1cnc(-c2ccccc2)nc1 c1coc(c1)C[*:1] C[NH+](C)CCN(C(=O)c1cnc(nc1)-c1ccccc1)[*:1]
C[NH+](C)CCN(Cc1ccco1)C(=O)c1cnc(-c2ccccc2)nc1 c1coc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1cnc(nc1)-c1ccccc1
CCc1cccc(CC)c1NC(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] CCc1cccc(CC)c1NC(=O)N1CCC(CC1)O[*:1]
CCc1cccc(CC)c1NC(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] CCc1cccc(CC)c1NC(=O)N1CCC(CC1)[*:1]
CCc1cccc(CC)c1NC(=O)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] CCc1cccc(CC)c1NC(=O)N1CCC(CC1)OC[*:1]
CC(C)(C)c1ccc(OCCCC(=O)Nc2nncs2)c(Br)c1 c1nnc(s1)[*:1] CC(C)(C)c1ccc(OCCCC(=O)N[*:1])c(Br)c1
CC(C)(C)c1ccc(OCCCC(=O)Nc2nncs2)c(Br)c1 CC(C)(C)[*:1] O=C(CCCOc1ccc(cc1Br)[*:1])Nc1nncs1
CC1(C)CCC[C@H]1[NH2+]CCCCC#N N#CC[*:1] CC1(C)CCC[C@H]1[NH2+]CCC[*:1]
CC1(C)CCC[C@H]1[NH2+]CCCCC#N N#CCC[*:1] CC1(C)CCC[C@H]1[NH2+]CC[*:1]
O=C(CCNS(=O)(=O)c1cccc(Br)c1)NCc1ccccc1Cl Brc1cccc(c1)[*:1] O=C(CCNS(=O)(=O)[*:1])NCc1ccccc1Cl
O=C(CCNS(=O)(=O)c1cccc(Br)c1)NCc1ccccc1Cl Clc1ccccc1C[*:1] O=C(CCNS(=O)(=O)c1cccc(Br)c1)N[*:1]
O=C(CCNS(=O)(=O)c1cccc(Br)c1)NCc1ccccc1Cl Clc1ccccc1[*:1] O=C(CCNS(=O)(=O)c1cccc(Br)c1)NC[*:1]
CC(C)CN1C(=O)c2ccccc2N[C@H]1C1CCCCC1 CC(C)C[*:1] O=C1c2ccccc2N[C@@H](C2CCCCC2)N1[*:1]
CC(C)CN1C(=O)c2ccccc2N[C@H]1C1CCCCC1 CC(C)[*:1] O=C1c2ccccc2N[C@@H](C2CCCCC2)N1C[*:1]
CC(C)CN1C(=O)c2ccccc2N[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] CC(C)CN1C(=O)c2ccccc2N[C@@H]1[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)CCc1nc(C(C)(C)C)no1 CNC(=O)[C@@H](C)C[*:1] CN(C(=O)CCc1nc(no1)C(C)(C)C)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)CCc1nc(C(C)(C)C)no1 CNC(=O)[*:1] C[C@@H](CN(C)C(=O)CCc1nc(no1)C(C)(C)C)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)CCc1nc(C(C)(C)C)no1 CC(C)(C)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)CCc1nc(no1)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)CCc1nc(C(C)(C)C)no1 CNC(=O)[C@@H](C)[*:1] CN(C[*:1])C(=O)CCc1nc(no1)C(C)(C)C
Cc1nn(C)c2ncc(NC(=O)NCCCSc3ccccc3)cc12 c1ccc(cc1)SC[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)NCC[*:1]
Cc1nn(C)c2ncc(NC(=O)NCCCSc3ccccc3)cc12 c1ccc(cc1)S[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)NCCC[*:1]
Cc1nn(C)c2ncc(NC(=O)NCCCSc3ccccc3)cc12 c1ccc(cc1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)NCCCS[*:1]
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(C[C@H](NC(=O)c1ccccc1)[*:1])NCc1ccc2OCOc2c1
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCO2 O=C(N[*:1])c1ccccc1 O=C(C[C@H](c1ccccc1)[*:1])NCc1ccc2OCOc2c1
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[*:1]
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[*:1]
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(C[C@H](NC(=O)[*:1])c1ccccc1)NCc1ccc2OCOc2c1
Cc1noc(-c2ccccc2C(=O)NC[C@@H](C)c2ccsc2)n1 Cc1noc(n1)[*:1] C[C@H](CNC(=O)c1ccccc1[*:1])c1ccsc1
Cc1noc(-c2ccccc2C(=O)NC[C@@H](C)c2ccsc2)n1 c1cc(cs1)[*:1] Cc1noc(n1)-c1ccccc1C(=O)NC[C@@H](C)[*:1]
Cc1cc(C(=O)NC2CCCCC2)cc(S(N)(=O)=O)c1C C1CCC(CC1)[*:1] Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)N[*:1]
Cc1cc(C(=O)NC2CCCCC2)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)NC1CCCCC1
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=c1ccc(n[nH]1)-c1ccc(s1)S(=O)(=O)[N-][*:1]
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c(C)c1 O=c1ccc(n[nH]1)[*:1] Cc1ccc([N-]S(=O)(=O)c2ccc(s2)[*:1])c(C)c1
Cc1ccc([C@@H](CNC(=O)C2CCCCC2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)C1CCCCC1)[*:1]
Cc1ccc([C@@H](CNC(=O)C2CCCCC2)N2CCOCC2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])C1CCCCC1
Cc1ccc([C@@H](CNC(=O)C2CCCCC2)N2CCOCC2)o1 C1CCC(CC1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)[*:1])N1CCOCC1
COc1cccc(N2C[C@@H](C(=O)NCC[C@H](O)c3cccs3)CC2=O)c1 c1csc(c1)[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)NCC[C@H](O)[*:1]
COc1cccc(N2C[C@@H](C(=O)NCC[C@H](O)c3cccs3)CC2=O)c1 O[C@@H](C[*:1])c1cccs1 COc1cccc(c1)N1C[C@H](CC1=O)C(=O)NC[*:1]
COc1cccc(N2C[C@@H](C(=O)NCC[C@H](O)c3cccs3)CC2=O)c1 O[C@H](c1cccs1)[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)NCC[*:1]
COc1cccc(N2C[C@@H](C(=O)NCC[C@H](O)c3cccs3)CC2=O)c1 COc1cccc(c1)[*:1] O=C(NCC[C@H](O)c1cccs1)[C@H]1CC(=O)N(C1)[*:1]
CC[C@@H](C)NC(=O)Nc1c(-c2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2)c1N Clc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)Nc1c(nn(-c2ccc(Cl)cc2)c1N)[*:1]
CC[C@@H](C)NC(=O)Nc1c(-c2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2)c1N Clc1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)Nc1c(nn(c1N)[*:1])-c1ccc(Cl)cc1
Cc1ccc(C)n1Nc1nccn(C2CC2)c1=O C1CC1[*:1] Cc1ccc(C)n1Nc1nccn(c1=O)[*:1]
CC(C)(C)c1ncc2c(n1)CN(c1cc(N3CCOCC3)ncn1)C2 C1CN(CCO1)[*:1] CC(C)(C)c1ncc2CN(Cc2n1)c1cc(ncn1)[*:1]
CC(C)(C)c1ncc2c(n1)CN(c1cc(N3CCOCC3)ncn1)C2 CC(C)(C)[*:1] c1nc(cc(n1)N1Cc2cnc(nc2C1)[*:1])N1CCOCC1
COc1cccc([C@@H]2CC(c3ccc(F)cc3)=Nc3nc(CCCO)nn32)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1CC(=Nc2nc(CCCO)nn21)[*:1]
COc1cccc([C@@H]2CC(c3ccc(F)cc3)=Nc3nc(CCCO)nn32)c1 OCCC[*:1] COc1cccc(c1)[C@@H]1CC(=Nc2nc(nn21)[*:1])c1ccc(F)cc1
COc1cccc([C@@H]2CC(c3ccc(F)cc3)=Nc3nc(CCCO)nn32)c1 OCC[*:1] COc1cccc(c1)[C@@H]1CC(=Nc2nc(C[*:1])nn21)c1ccc(F)cc1
COc1cccc([C@@H]2CC(c3ccc(F)cc3)=Nc3nc(CCCO)nn32)c1 COc1cccc(c1)[*:1] OCCCc1nc2N=C(C[C@H](n2n1)[*:1])c1ccc(F)cc1
Cc1ccccc1C(=O)NCCC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C Cc1ccccc1[*:1] Cc1ccccc1[C@H]1C[C@H](C)N(C1)C(=O)CCNC(=O)[*:1]
Cc1ccccc1C(=O)NCCC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C Cc1ccccc1[*:1] Cc1ccccc1C(=O)NCCC(=O)N1C[C@@H](C[C@@H]1C)[*:1]
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cn(CC)c3ccc(F)cc3c2=O)cc1 CCN(CC)S(=O)(=O)[*:1] CCn1cc(C(=O)Nc2ccc(cc2)[*:1])c(=O)c2cc(F)ccc21
CC(=O)C1(c2ccccc2)CCN(Cc2c[nH+]c(CC3CCCC3)[nH]2)CC1 CC(=O)[*:1] c1ccc(cc1)C1(CCN(CC1)Cc1c[nH+]c(CC2CCCC2)[nH]1)[*:1]
CC(=O)C1(c2ccccc2)CCN(Cc2c[nH+]c(CC3CCCC3)[nH]2)CC1 C1CCC(C1)C[*:1] CC(=O)C1(CCN(CC1)Cc1c[nH+]c([nH]1)[*:1])c1ccccc1
CC(=O)C1(c2ccccc2)CCN(Cc2c[nH+]c(CC3CCCC3)[nH]2)CC1 C1CCC(C1)[*:1] CC(=O)C1(CCN(CC1)Cc1c[nH+]c(C[*:1])[nH]1)c1ccccc1
CC(=O)C1(c2ccccc2)CCN(Cc2c[nH+]c(CC3CCCC3)[nH]2)CC1 c1ccc(cc1)[*:1] CC(=O)C1(CCN(CC1)Cc1c[nH+]c(CC2CCCC2)[nH]1)[*:1]
Cc1ccc(C(=O)NNC(=O)COCc2ccccc2Cl)c(O)c1 Clc1ccccc1C[*:1] Cc1ccc(C(=O)NNC(=O)CO[*:1])c(O)c1
Cc1ccc(C(=O)NNC(=O)COCc2ccccc2Cl)c(O)c1 Cc1ccc(c(O)c1)[*:1] O=C(COCc1ccccc1Cl)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)COCc2ccccc2Cl)c(O)c1 Clc1ccccc1[*:1] Cc1ccc(C(=O)NNC(=O)COC[*:1])c(O)c1
C/[NH+]=C(/N[C@H]1C[C@@H]1C)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] C/[NH+]=C(/N[C@H]1C[C@@H]1C)N1CCN(CC1)[*:1]
CC[NH+](CCNC(=O)N(C)C1CCS(=O)CC1)C(C)C CC(C)[*:1] CC[NH+](CCNC(=O)N(C)C1CCS(=O)CC1)[*:1]
CC(C)COC(=O)c1cccc(C2OCCO2)c1 CC(C)C[*:1] O=C(O[*:1])c1cccc(c1)C1OCCO1
CC(C)COC(=O)c1cccc(C2OCCO2)c1 C1COC(O1)[*:1] CC(C)COC(=O)c1cccc(c1)[*:1]
CC(C)COC(=O)c1cccc(C2OCCO2)c1 CC(C)[*:1] O=C(OC[*:1])c1cccc(c1)C1OCCO1
CNC(=O)[C@@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 CNC(=O)[*:1] N#C[C@@H](C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)[*:1]
Clc1cccc(N2CCN(c3ncnc4c3nc3n4CCCC3)CC2)c1 Clc1cccc(c1)[*:1] c1nc(c2nc3CCCCn3c2n1)N1CCN(CC1)[*:1]
CCN(C)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CCN(C)C(=O)NC[C@H]1CCCN(C1)C(=O)O[*:1]
CCN(C)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 CCN(C)C(=O)N[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[*:1]
N#C[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)C1CCCCC1 C1CCC(CC1)[*:1] N#C[C@H](NC(=O)c1cc(ccc1Cl)N1CCCC1=O)[*:1]
N#C[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1Cl)C1CCCCC1 O=C1CCCN1[*:1] N#C[C@H](NC(=O)c1cc(ccc1Cl)[*:1])C1CCCCC1
Cc1cc(C)c([C@H](Br)Cc2ccncc2)c(C)c1 c1cc(ccn1)[*:1] Cc1cc(C)c(c(C)c1)[C@H](Br)C[*:1]
COc1cccc(CN(Cc2c(C)nn(C)c2Cl)C[C@@H]2CCCO2)c1 Cc1nn(C)c(Cl)c1[*:1] COc1cccc(c1)CN(C[C@@H]1CCCO1)C[*:1]
COc1cccc(CN(Cc2c(C)nn(C)c2Cl)C[C@@H]2CCCO2)c1 COc1cccc(c1)[*:1] Cc1nn(C)c(Cl)c1CN(C[C@@H]1CCCO1)C[*:1]
COc1cccc(CN(Cc2c(C)nn(C)c2Cl)C[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] COc1cccc(c1)CN(Cc1c(C)nn(C)c1Cl)[*:1]
CCC[C@@H](C)CC1(CC)C[NH2+]C1 CCC[*:1] CCC1(C[NH2+]C1)C[C@H](C)[*:1]
C[C@H](CCC(C)(C)C)NC(=O)N1CCC(NS(C)(=O)=O)CC1 CC(C)(C)C[*:1] C[C@H](C[*:1])NC(=O)N1CCC(CC1)NS(C)(=O)=O
C[C@H](CCC(C)(C)C)NC(=O)N1CCC(NS(C)(=O)=O)CC1 CS(=O)(=O)N[*:1] C[C@H](CCC(C)(C)C)NC(=O)N1CCC(CC1)[*:1]
C[C@H](CCC(C)(C)C)NC(=O)N1CCC(NS(C)(=O)=O)CC1 CC(C)(C)[*:1] C[C@H](CC[*:1])NC(=O)N1CCC(CC1)NS(C)(=O)=O
C[C@H](CCC(C)(C)C)NC(=O)N1CCC(NS(C)(=O)=O)CC1 CC(C)(C)CC[*:1] C[C@H](NC(=O)N1CCC(CC1)NS(C)(=O)=O)[*:1]
Cc1cc(C[C@@H](C)NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)n[nH]1 c1cnc(nc1)[*:1] Cc1cc(C[C@@H](C)NC(=O)NC[C@@H]2CCCN(C2)[*:1])n[nH]1
Cc1cc(C[C@@H](C)NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@H](C[*:1])NC(=O)NC[C@@H]1CCCN(C1)c1ncccn1
Cc1cc(C[C@@H](C)NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@@H](NC(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
C[C@H]([NH2+][C@H](C)CC(F)(F)F)[C@@H]1COc2ccccc21 FC(F)(F)[*:1] C[C@H]([NH2+][C@H](C)C[*:1])[C@@H]1COc2ccccc21
C[C@H]([NH2+][C@H](C)CC(F)(F)F)[C@@H]1COc2ccccc21 FC(F)(F)C[*:1] C[C@H]([NH2+][C@H](C)[*:1])[C@@H]1COc2ccccc21
CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)c2ccc(C(N)=O)cc2F)C1 NC(=O)[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)NC(=O)c1ccc(cc1F)[*:1])-c1ccncc1
CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)c2ccc(C(N)=O)cc2F)C1 NC(=O)c1ccc(c(F)c1)[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)NC(=O)[*:1])-c1ccncc1
CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)c2ccc(C(N)=O)cc2F)C1 c1cc(ccn1)[*:1] CC1(C)Cc2nc(ncc2[C@@H](C1)NC(=O)c1ccc(cc1F)C(N)=O)[*:1]
COCc1c(Cl)cccc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] COCc1c(Cl)cccc1NC(=O)N[C@@H](C)[*:1]
COCc1c(Cl)cccc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 COC[*:1] C[C@H](NC(=O)Nc1cccc(Cl)c1[*:1])c1ccc(Cl)s1
CCNC(=O)[C@@H]1CNCCN1C(=O)N1CCC[C@@H](C)C1 CCNC(=O)[*:1] C[C@@H]1CCCN(C1)C(=O)N1CCNC[C@H]1[*:1]
CC[C@H](C)[C@](C)(O)CNC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C Fc1ccc(cc1)[*:1] CC[C@H](C)[C@](C)(O)CNC(=O)C(=C[*:1])n1nnnc1C
CC[C@H](C)[C@](C)(O)CNC(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C Cc1nnnn1[*:1] CC[C@H](C)[C@](C)(O)CNC(=O)C(=Cc1ccc(F)cc1)[*:1]
Cc1ccc(-n2ccnc2SCC(=O)N2CCC[C@H](C(N)=O)C2)cc1C Cc1ccc(cc1C)[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)CSc1nccn1[*:1]
Cc1ccc(-n2ccnc2SCC(=O)N2CCC[C@H](C(N)=O)C2)cc1C NC(=O)[*:1] Cc1ccc(cc1C)-n1ccnc1SCC(=O)N1CCC[C@H](C1)[*:1]
CCc1ccc(/C=N/OCC(=O)N(C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(/C=N/OCC(=O)N(C)[*:1])cc1
CCOc1ccc([C@H]([NH3+])C2(C)CCCC2)c(Br)c1 CC1(CCCC1)[*:1] CCOc1ccc(c(Br)c1)[C@H]([NH3+])[*:1]
CCOc1ccc([C@H]([NH3+])C2(C)CCCC2)c(Br)c1 CCO[*:1] CC1(CCCC1)[C@@H]([NH3+])c1ccc(cc1Br)[*:1]
CC(C)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)C[*:1] CC(C)=NNC(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
CC(C)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)[*:1]
CC(C)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 CC(C)=NNC(=O)[*:1] O=S(=O)(c1ccccc1)N(Cc1ccccc1)C[*:1]
CC(C)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)=NNC(=O)CN(C[*:1])S(=O)(=O)c1ccccc1
CC(C)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 CC(C)=NNC(=O)C[*:1] O=S(=O)(c1ccccc1)N(Cc1ccccc1)[*:1]
C=CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1cccnc1Cl Clc1ncccc1[*:1] C=CCN1C(=O)/C(=C/c2ccc3OCOc3c2)SC1=N[*:1]
C=CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1cccnc1Cl C=CC[*:1] O=C1/C(=C/c2ccc3OCOc3c2)S/C(=N\c2cccnc2Cl)N1[*:1]
C=CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1cccnc1Cl c1cc2OCOc2cc1[*:1] C=CCN1C(=O)C(=C[*:1])S/C1=N\c1cccnc1Cl
Cc1ccc(-n2nnc(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)c2C)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-n1nnc(C(=O)Nc2c(C)ccc(c2C)[*:1])c1C
Cc1ccc(-n2nnc(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(c(C)c1NC(=O)c1nnn(c1C)[*:1])[N+](=O)[O-]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)cc2Cl)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)cc2Cl)cc1 Fc1ccc(c(Cl)c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
CCC[C@@H](C)NS(C)(=O)=O CCC[*:1] C[C@@H](NS(C)(=O)=O)[*:1]
Cc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1[C@H](C(=O)C(C)(C)C)[C@H]1[*:1]
Cc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1[C@@H](C(=O)C(C)(C)C)N1S(=O)(=O)[*:1]
Cc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1 CC(C)(C)C(=O)[*:1] Cc1ccc(cc1)[C@@H]1[C@@H](N1S(=O)(=O)c1ccc(C)cc1)[*:1]
Cc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)[C@@H]1[C@@H](C(=O)[*:1])N1S(=O)(=O)c1ccc(C)cc1
Cn1c(SCc2nnc(-c3ccco3)o2)nnc1[C@@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] Cn1c(nnc1[C@@H]1CCS(=O)(=O)C1)SCc1nnc(o1)[*:1]
Cc1ccc(CC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)cc1O Cc1ccc(cc1O)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)C[*:1]
Cc1cncc(NC(=O)C(=O)NCCCc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] Cc1cncc(c1)NC(=O)C(=O)NCCC[*:1]
Cc1cncc(NC(=O)C(=O)NCCCc2cccc(F)c2)c1 Cc1cncc(c1)[*:1] O=C(NCCCc1cccc(F)c1)C(=O)N[*:1]
O=C(C1CCCC1)N1CCS[C@]12C(=O)N(Cc1ccc(F)cc1F)c1ccccc12 Fc1ccc(C[*:1])c(F)c1 O=C(C1CCCC1)N1CCS[C@]12C(=O)N(c1ccccc12)[*:1]
O=C(C1CCCC1)N1CCS[C@]12C(=O)N(Cc1ccc(F)cc1F)c1ccccc12 C1CCC(C1)[*:1] O=C1N(Cc2ccc(F)cc2F)c2ccccc2[C@@]12SCCN2C(=O)[*:1]
O=C(C1CCCC1)N1CCS[C@]12C(=O)N(Cc1ccc(F)cc1F)c1ccccc12 Fc1ccc(c(F)c1)[*:1] O=C(C1CCCC1)N1CCS[C@]12C(=O)N(C[*:1])c1ccccc12
Cc1cc(C)c(O)c(C(=O)N(C)C[C@H](O)COCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(O)c(c1)C(=O)N(C)C[C@H](O)COC[*:1]
Cc1cc(C)c(O)c(C(=O)N(C)C[C@H](O)COCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(O)c(c1)C(=O)N(C)C[C@H](O)CO[*:1]
Cc1cc(C)c(O)c(C(=O)N(C)C[C@H](O)COCc2ccccc2)c1 c1ccc(cc1)CO[*:1] Cc1cc(C)c(O)c(c1)C(=O)N(C)C[C@H](O)C[*:1]
CC(C)COc1ccc([C@@H](C)NC(=O)[C@H](C)c2cnn(C)c2)cc1 CC(C)CO[*:1] C[C@@H](NC(=O)[C@H](C)c1cnn(C)c1)c1ccc(cc1)[*:1]
CC(C)COc1ccc([C@@H](C)NC(=O)[C@H](C)c2cnn(C)c2)cc1 CC(C)C[*:1] C[C@@H](NC(=O)[C@H](C)c1cnn(C)c1)c1ccc(cc1)O[*:1]
CC(C)COc1ccc([C@@H](C)NC(=O)[C@H](C)c2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] CC(C)COc1ccc(cc1)[C@@H](C)NC(=O)[C@H](C)[*:1]
CC(C)COc1ccc([C@@H](C)NC(=O)[C@H](C)c2cnn(C)c2)cc1 CC(C)[*:1] C[C@@H](NC(=O)[C@H](C)c1cnn(C)c1)c1ccc(cc1)OC[*:1]
C[NH+](C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)[*:1]
Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H]2CCCc3ccc(F)cc32)s1 Cc1nc(C)c(s1)[*:1] C[C@@H](N(C)C(=O)N[C@@H]1CCCc2ccc(F)cc21)[*:1]
C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](C)[C@H](O)C1 c1coc(c1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CC[C@@H](C)[C@H](O)C1
COC(=O)/C=C/c1ccc(OC)c(OC2CCCC2)c1 COC(=O)C=C[*:1] COc1ccc(cc1OC1CCCC1)[*:1]
COC(=O)/C=C/c1ccc(OC)c(OC2CCCC2)c1 C1CCC(C1)[*:1] COC(=O)/C=C/c1ccc(OC)c(c1)O[*:1]
COC(=O)/C=C/c1ccc(OC)c(OC2CCCC2)c1 COC(=O)[*:1] COc1ccc(C=C[*:1])cc1OC1CCCC1
COC(=O)/C=C/c1ccc(OC)c(OC2CCCC2)c1 C1CCC(C1)O[*:1] COC(=O)/C=C/c1ccc(OC)c(c1)[*:1]
O=C(CC[NH+]1CCC(c2nnc3n2CCC3)CC1)N1CCOCC1 C1Cc2nnc(n2C1)[*:1] O=C(CC[NH+]1CCC(CC1)[*:1])N1CCOCC1
O=C(CC[NH+]1CCC(c2nnc3n2CCC3)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] C1Cc2nnc(C3CC[NH+](CC3)CC[*:1])n2C1
N#C[C@@H](Nc1ccccc1)c1cncn1C1CC1 c1ccc(cc1)[*:1] N#C[C@@H](N[*:1])c1cncn1C1CC1
N#C[C@@H](Nc1ccccc1)c1cncn1C1CC1 C1CC1[*:1] N#C[C@@H](Nc1ccccc1)c1cncn1[*:1]
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccccc1Cl c1ccc(cc1)[*:1] O=C(CC[C@H](O)[*:1])N/N=C/c1ccccc1Cl
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccccc1Cl Clc1ccccc1[*:1] O=C(CC[C@H](O)c1ccccc1)NN=C[*:1]
Cc1ccccc1COC1CCN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)CC1 Cc1ccccc1CO[*:1] CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)[*:1]
Cc1ccccc1COC1CCN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)CC1 Cc1ccccc1C[*:1] CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)O[*:1]
Cc1ccccc1COC1CCN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)CC1 CC(C)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)N[*:1]
Cc1ccccc1COC1CCN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)CC1 Cc1ccccc1[*:1] CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)OC[*:1]
C[C@@H](N[C@H](C)c1nccs1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@@H](N[C@H](C)c1nccs1)c1cccc(c1)[*:1]
C[C@@H](N[C@H](C)c1nccs1)c1cccc(-n2cccn2)c1 C[C@H](c1nccs1)[*:1] C[C@@H](N[*:1])c1cccc(c1)-n1cccn1
C[C@@H](N[C@H](C)c1nccs1)c1cccc(-n2cccn2)c1 c1csc(n1)[*:1] C[C@@H](N[C@H](C)[*:1])c1cccc(c1)-n1cccn1
CCc1ccc([C@@H](COC)NC(=O)N[C@H]2CCCC[C@@H]2C)o1 C[C@H]1CCCC[C@@H]1[*:1] CCc1ccc(o1)[C@@H](COC)NC(=O)N[*:1]
CCc1ccc([C@@H](COC)NC(=O)N[C@H]2CCCC[C@@H]2C)o1 COC[*:1] CCc1ccc(o1)[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1C)[*:1]
CCc1ccc([C@@H](COC)NC(=O)N[C@H]2CCCC[C@@H]2C)o1 CCc1ccc(o1)[*:1] COC[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1C)[*:1]
COc1ccc(S(=O)(=O)N2CCc3cn[nH]c3C2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)[*:1])S(=O)(=O)N1CCc2cn[nH]c2C1
Cc1ccc(C[NH+]2CCC(CNC(=O)CN3CCSc4ccccc43)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(CN1CCSc2ccccc21)NCC1CC[NH+](CC1)[*:1]
Cc1ccc(C[NH+]2CCC(CNC(=O)CN3CCSc4ccccc43)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCSc2ccccc21)NCC1CC[NH+](CC1)C[*:1]
O=C(C[NH2+][C@H]1CCCN(c2cccnn2)C1)N1CCCC1 O=C(N1CCCC1)[*:1] c1cnnc(c1)N1CCC[C@@H](C1)[NH2+]C[*:1]
O=C(C[NH2+][C@H]1CCCN(c2cccnn2)C1)N1CCCC1 c1cnnc(c1)[*:1] O=C(C[NH2+][C@H]1CCCN(C1)[*:1])N1CCCC1
O=C(NCc1cccc(Cn2cncn2)c1)C1(c2ccccc2)CCOCC1 c1ncn(C[*:1])n1 O=C(NCc1cccc(c1)[*:1])C1(CCOCC1)c1ccccc1
O=C(NCc1cccc(Cn2cncn2)c1)C1(c2ccccc2)CCOCC1 c1ncn(n1)[*:1] O=C(NCc1cccc(c1)C[*:1])C1(CCOCC1)c1ccccc1
O=C(NCc1cccc(Cn2cncn2)c1)C1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(NCc1cccc(c1)Cn1cncn1)C1(CCOCC1)[*:1]
CCN(C(=O)c1ccc(N2CCCOC2=O)cc1)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(C(=O)c1ccc(cc1)N1CCCOC1=O)[*:1]
CCN(C(=O)c1ccc(N2CCCOC2=O)cc1)c1cccc(C)c1 O=C1OCCCN1[*:1] CCN(C(=O)c1ccc(cc1)[*:1])c1cccc(C)c1
CCCC1CCC(C(=O)c2cc(OC)cc(OC)c2)CC1 CCC[*:1] COc1cc(cc(c1)C(=O)C1CCC(CC1)[*:1])OC
Cc1cc([N-]S(=O)(=O)CCC2CC2)ccc1C(=O)N(C)C C1CC1[*:1] Cc1cc(ccc1C(=O)N(C)C)[N-]S(=O)(=O)CC[*:1]
Cc1cc([N-]S(=O)(=O)CCC2CC2)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])[N-]S(=O)(=O)CCC1CC1
Cc1cc([N-]S(=O)(=O)CCC2CC2)ccc1C(=O)N(C)C C1CC1C[*:1] Cc1cc(ccc1C(=O)N(C)C)[N-]S(=O)(=O)C[*:1]
Cc1cc([N-]S(=O)(=O)CCC2CC2)ccc1C(=O)N(C)C C1CC1CC[*:1] Cc1cc(ccc1C(=O)N(C)C)[N-]S(=O)(=O)[*:1]
C[C@H]1CN([C@@H]2CC[C@@](CO)([NH2+]C3CC3)C2)CCCO1 C1CC1[*:1] C[C@H]1CN(CCCO1)[C@@H]1CC[C@](CO)(C1)[NH2+][*:1]
Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cs1 Cc1nc(cs1)[*:1] O=C([C@H]1CC(=O)N(C1)C1CCCC1)N1CCc2cc(ccc21)[*:1]
Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cs1 C1CCC(C1)[*:1] Cc1nc(cs1)-c1ccc2c(c1)CCN2C(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(=O)Nc1ccc(Nc2ncnc(NC[C@@H]3CCCO3)c2N)cc1 CC(=O)N[*:1] Nc1c(ncnc1Nc1ccc(cc1)[*:1])NC[C@@H]1CCCO1
Cc1cc(C(=O)NNS(=O)(=O)c2c(C)sc3ccccc23)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1sc2ccccc2c1S(=O)(=O)NNC(=O)[*:1]
O=C(Cc1c(F)cccc1F)N1CCN(C(=O)c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] O=C(Cc1c(F)cccc1F)N1CCN(CC1)C(=O)[*:1]
O=C(Cc1c(F)cccc1F)N1CCN(C(=O)c2ccc(O)cc2)CC1 Fc1cccc(F)c1[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1ccc(O)cc1
C#CCOC[C@@H]1CCCN(C(=O)c2cc(-c3cc(OC)ccc3OC)nn2C)C1 C#CCO[*:1] COc1ccc(OC)c(c1)-c1cc(C(=O)N2CCC[C@H](C2)C[*:1])n(C)n1
C#CCOC[C@@H]1CCCN(C(=O)c2cc(-c3cc(OC)ccc3OC)nn2C)C1 C#CC[*:1] COc1ccc(OC)c(c1)-c1cc(C(=O)N2CCC[C@@H](CO[*:1])C2)n(C)n1
C#CCOC[C@@H]1CCCN(C(=O)c2cc(-c3cc(OC)ccc3OC)nn2C)C1 C#CCOC[*:1] COc1ccc(OC)c(c1)-c1cc(C(=O)N2CCC[C@H](C2)[*:1])n(C)n1
C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1Cl c1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccccc1Cl
Cc1c(C)n(-c2cccnc2)c2ncnc(NCc3ccncc3)c12 c1cncc(c1)[*:1] Cc1c(C)n(c2ncnc(NCc3ccncc3)c12)[*:1]
Cc1c(C)n(-c2cccnc2)c2ncnc(NCc3ccncc3)c12 c1cc(ccn1)CN[*:1] Cc1c(C)n(-c2cccnc2)c2ncnc(c12)[*:1]
Cc1c(C)n(-c2cccnc2)c2ncnc(NCc3ccncc3)c12 c1cc(ccn1)C[*:1] Cc1c(C)n(-c2cccnc2)c2ncnc(N[*:1])c12
Cc1c(C)n(-c2cccnc2)c2ncnc(NCc3ccncc3)c12 c1cc(ccn1)[*:1] Cc1c(C)n(-c2cccnc2)c2ncnc(NC[*:1])c12
Cc1oc(-c2cccs2)nc1CS[C@@H](C)c1nc(C2CC2)no1 c1csc(c1)[*:1] Cc1oc(nc1CS[C@@H](C)c1nc(no1)C1CC1)[*:1]
Cc1oc(-c2cccs2)nc1CS[C@@H](C)c1nc(C2CC2)no1 C1CC1[*:1] Cc1oc(nc1CS[C@@H](C)c1nc(no1)[*:1])-c1cccs1
Cc1nc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)sc1-c1nccn1C Clc1ccc(cc1)[*:1] Cc1nc(NC(=O)c2nn(c(C)cc2=O)[*:1])sc1-c1nccn1C
Cc1nc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)sc1-c1nccn1C Cn1ccnc1[*:1] Cc1nc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)sc1[*:1]
COc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)[nH]c2c1 Cc1noc(C)c1[*:1] COc1ccc2nc([nH]c2c1)SCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C1SCCN1CN1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C1SCCN1CN1CCN(CC1)[*:1]
O=C1SCCN1CN1CCN(c2ncccn2)CC1 O=C1SCCN1[*:1] c1cnc(nc1)N1CCN(CC1)C[*:1]
O=C(Cn1cnc(C2CCC2)cc1=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cn1cnc(cc1=O)C1CCC1)Nc1cccc(c1)[*:1]
O=C(Cn1cnc(C2CCC2)cc1=O)Nc1cccc(C(F)(F)F)c1 C1CC(C1)[*:1] O=C(Cn1cnc(cc1=O)[*:1])Nc1cccc(c1)C(F)(F)F
C#CCN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 O=[N+]([O-])[*:1] C#CCN1CCN(CC1)Cc1ccc(cc1F)[*:1]
C#CCN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 C#CC[*:1] O=[N+]([O-])c1ccc(CN2CCN(CC2)[*:1])c(F)c1
COc1ccc([C@@H](O)[C@@H](C)NC(=O)CC2(O)CCCC2)cc1 OC1(CCCC1)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)C[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)CC2(O)CCCC2)cc1 OC1(CCCC1)C[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)[*:1]
COc1nn(C)cc1C(=O)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 O=c1[nH]cccc1[*:1] COc1nn(C)cc1C(=O)N1CC(C1)c1nc(no1)[*:1]
COc1nn(C)cc1C(=O)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 COc1nn(C)cc1[*:1] O=C(N1CC(C1)c1nc(no1)-c1ccc[nH]c1=O)[*:1]
Cc1ccc2c(c1)nc(C[C@@H](O)C(F)(F)F)n2C FC(F)(F)[*:1] Cc1ccc2c(c1)nc(C[C@@H](O)[*:1])n2C
CCCCNc1cc(C)nc2c(C)c(-c3ccc(OC)c(OC)c3)nn12 CCC[*:1] COc1ccc(cc1OC)-c1nn2c(cc(C)nc2c1C)NC[*:1]
CCCCNc1cc(C)nc2c(C)c(-c3ccc(OC)c(OC)c3)nn12 CCCC[*:1] COc1ccc(cc1OC)-c1nn2c(cc(C)nc2c1C)N[*:1]
CCCCNc1cc(C)nc2c(C)c(-c3ccc(OC)c(OC)c3)nn12 CCCCN[*:1] COc1ccc(cc1OC)-c1nn2c(cc(C)nc2c1C)[*:1]
COc1ccc(C2=N/C(=C\c3ccc(OC(C)=O)cc3)C(=O)O2)cc1Br CC(=O)O[*:1] COc1ccc(cc1Br)C1=N/C(=C\c2ccc(cc2)[*:1])C(=O)O1
Cc1cc[n+](CC(=O)N[C@H](C)CCCC(C)C)cc1 CC(C)CC[*:1] Cc1cc[n+](cc1)CC(=O)N[C@H](C)C[*:1]
Cc1cc[n+](CC(=O)N[C@H](C)CCCC(C)C)cc1 CC(C)CCC[*:1] Cc1cc[n+](cc1)CC(=O)N[C@H](C)[*:1]
Cc1cc[n+](CC(=O)N[C@H](C)CCCC(C)C)cc1 CC(C)C[*:1] Cc1cc[n+](cc1)CC(=O)N[C@H](C)CC[*:1]
Cc1cc[n+](CC(=O)N[C@H](C)CCCC(C)C)cc1 CC(C)[*:1] Cc1cc[n+](cc1)CC(=O)N[C@H](C)CCC[*:1]
CC(C)OCCS(=O)(=O)N1CC(N2CC[NH2+]CC2)C1 CC(C)[*:1] O=S(=O)(CCO[*:1])N1CC(C1)N1CC[NH2+]CC1
CC(C)OCCS(=O)(=O)N1CC(N2CC[NH2+]CC2)C1 CC(C)O[*:1] O=S(=O)(CC[*:1])N1CC(C1)N1CC[NH2+]CC1
CC(C)OCCS(=O)(=O)N1CC(N2CC[NH2+]CC2)C1 CC(C)OCC[*:1] O=S(=O)(N1CC(C1)N1CC[NH2+]CC1)[*:1]
CC(C)OCCS(=O)(=O)N1CC(N2CC[NH2+]CC2)C1 CC(C)OC[*:1] O=S(=O)(C[*:1])N1CC(C1)N1CC[NH2+]CC1
CCN(C(=O)CCn1c(=O)oc2ccccc21)c1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CCN(C(=O)CCn1c(=O)oc2ccccc21)[*:1]
O=C(c1ccco1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] O=C(c1ccco1)N1CCC(CC1)C(=O)N1CCN(CC1)C[*:1]
O=C(c1ccco1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccco1)N1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
O=C(c1ccco1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 c1coc(c1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCN(CC1)Cc1ccccc1
CC(C)CC1(C(=O)N[C@@H]2CCC(=O)NC2)CCCC1 CC(C)C[*:1] O=C1CC[C@H](CN1)NC(=O)C1(CCCC1)[*:1]
CC(C)CC1(C(=O)N[C@@H]2CCC(=O)NC2)CCCC1 CC(C)[*:1] O=C1CC[C@H](CN1)NC(=O)C1(CCCC1)C[*:1]
C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](NS(=O)(=O)c1ccc2OCCCOc2c1)C(=O)N[*:1]
C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1ccc2OCCCOc2c1)C(=O)NC[*:1]
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H](c3ccc(Cl)cc3)c3nccn3C)cc12 Cn1ccnc1[*:1] Cc1nn(-c2ccc(F)cc2)c2sc(cc12)C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H](c3ccc(Cl)cc3)c3nccn3C)cc12 Clc1ccc(cc1)[*:1] Cc1nn(-c2ccc(F)cc2)c2sc(cc12)C(=O)N[C@@H](c1nccn1C)[*:1]
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H](c3ccc(Cl)cc3)c3nccn3C)cc12 Fc1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)[*:1]
COC(=O)C1(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COC(=O)C1(CC1)C(=O)N1CCNC(=O)[C@H]1[*:1]
COC(=O)C1(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)CC1 COC(=O)C1(CC1)[*:1] O=C1NCCN(C(=O)[*:1])[C@H]1c1ccc(F)cc1
COC(=O)C1(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2)CC1 COC(=O)[*:1] O=C1NCCN(C(=O)C2(CC2)[*:1])[C@H]1c1ccc(F)cc1
CCOc1c(Br)cc(CCC(=O)[O-])cc1OC O=C([O-])C[*:1] CCOc1c(Br)cc(cc1OC)C[*:1]
CCOc1c(Br)cc(CCC(=O)[O-])cc1OC O=C([O-])[*:1] CCOc1c(Br)cc(cc1OC)CC[*:1]
CCOc1c(Br)cc(CCC(=O)[O-])cc1OC O=C([O-])CC[*:1] CCOc1c(Br)cc(cc1OC)[*:1]
CCOc1c(Br)cc(CCC(=O)[O-])cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])CCC(=O)[O-]
C[C@@H]1Cc2ccccc2[C@@H]1NCc1cccc(N(C)C)[nH+]1 CN(C)[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NCc1cccc([nH+]1)[*:1]
O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccco1 c1coc(c1)[*:1] O=C1S/C(=C\c2ccccc2)C(=O)N1CCNC(=O)[*:1]
O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccco1 c1ccc(cc1)[*:1] O=C(NCCN1C(=O)SC(=C[*:1])C1=O)c1ccco1
O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccco1 O=C(N[*:1])c1ccco1 O=C1S/C(=C\c2ccccc2)C(=O)N1CC[*:1]
C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1 c1ccc(cc1)[*:1] C[C@H](Sc1nnnn1[*:1])C(=O)Nc1ccc2ccccc2c1
CC(C)(O)/C=C/C1=C[C@@H](O)[C@@](C)(O)C[C@@H]1O CC(C)(O)[*:1] C[C@]1(O)C[C@H](O)C(=C[C@H]1O)C=C[*:1]
C[C@H](c1nc2ccccc2s1)N1CC[NH+](Cn2nc3n(C)c(=O)c4ccccc4n3c2=S)CC1 c1ccc2sc(nc2c1)[*:1] C[C@H](N1CC[NH+](CC1)Cn1nc2n(C)c(=O)c3ccccc3n2c1=S)[*:1]
C[C@H](c1nc2ccccc2s1)N1CC[NH+](Cn2nc3n(C)c(=O)c4ccccc4n3c2=S)CC1 C[C@H](c1nc2ccccc2s1)[*:1] Cn1c(=O)c2ccccc2n2c(=S)n(C[NH+]3CCN(CC3)[*:1])nc12
N#Cc1csc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1 C1CC1[*:1] N#Cc1csc(c1)C(=O)N([C@@H]1CCc2ccccc21)[*:1]
N#Cc1csc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1 N#Cc1csc(c1)[*:1] O=C(N(C1CC1)[C@@H]1CCc2ccccc21)[*:1]
O=C([C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CCCC[C@@H]1CN1CCOCC1 Fc1ccc(cc1)[*:1] O=C([C@@H](C[*:1])c1ccccc1)N1CCCC[C@@H]1CN1CCOCC1
O=C([C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C([C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CCCC[C@H]1[*:1]
O=C([C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CCCC[C@@H]1CN1CCOCC1 c1ccc(cc1)[*:1] O=C([C@@H](Cc1ccc(F)cc1)[*:1])N1CCCC[C@@H]1CN1CCOCC1
O=C([C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CCCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C([C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CCCC[C@@H]1C[*:1]
O=C([C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CCCC[C@@H]1CN1CCOCC1 Fc1ccc(cc1)C[*:1] O=C([C@@H](c1ccccc1)[*:1])N1CCCC[C@@H]1CN1CCOCC1
NC(=O)C1([NH+]2CCCCC2)CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 NC(=O)[*:1] FC(F)(F)c1cccc(c1)NC(=S)N1CCC(CC1)([NH+]1CCCCC1)[*:1]
NC(=O)C1([NH+]2CCCCC2)CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] NC(=O)C1(CCN(CC1)C(=S)Nc1cccc(c1)[*:1])[NH+]1CCCCC1
O=C1[C@@H]([C@H](O)c2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 Clc1ccc(cc1)[*:1] O=C1[C@H](C(=NN1c1ccccc1)C(F)(F)F)[C@H](O)[*:1]
O=C1[C@@H]([C@H](O)c2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 FC(F)(F)[*:1] O=C1[C@H](C(=NN1c1ccccc1)[*:1])[C@H](O)c1ccc(Cl)cc1
O=C1[C@@H]([C@H](O)c2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](C(=NN1[*:1])C(F)(F)F)[C@H](O)c1ccc(Cl)cc1
CCCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1 CCC[*:1] C[C@H]([NH2+]Cc1ccccc1O[*:1])c1ccccc1
CCCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCCOc1ccccc1C[NH2+][C@@H](C)[*:1]
CCCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1 CCCO[*:1] C[C@H]([NH2+]Cc1ccccc1[*:1])c1ccccc1
CCc1nn(C)cc1CNC(=O)NCCc1cc2ccccc2[nH]1 CCc1nn(C)cc1[*:1] O=C(NCCc1cc2ccccc2[nH]1)NC[*:1]
CCc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)o2)cc1 Cc1occc1[*:1] CCc1ccc(cc1)NC(=O)CSc1nnc(o1)[*:1]
CCc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)o2)cc1 CCc1ccc(cc1)[*:1] Cc1occc1-c1nnc(o1)SCC(=O)N[*:1]
O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(cc1)O[*:1]
O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(cc1)OC[*:1]
O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccc(cc1)[*:1]
COc1ccc(C)cc1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 Cc1nc(cs1)[*:1] COc1ccc(C)cc1NC(=O)CN1CCc2cc(ccc21)[*:1]
COc1ccc(C)cc1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 COc1ccc(C)cc1[*:1] Cc1nc(cs1)-c1ccc2c(c1)CCN2CC(=O)N[*:1]
COCCN(Cc1ccccc1)C(=O)[C@@H](C)NC(N)=O NC(=O)N[*:1] COCCN(Cc1ccccc1)C(=O)[C@@H](C)[*:1]
COCCN(Cc1ccccc1)C(=O)[C@@H](C)NC(N)=O COC[*:1] C[C@@H](NC(N)=O)C(=O)N(Cc1ccccc1)C[*:1]
COCCN(Cc1ccccc1)C(=O)[C@@H](C)NC(N)=O c1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)[C@@H](C)NC(N)=O
COCCN(Cc1ccccc1)C(=O)[C@@H](C)NC(N)=O COCC[*:1] C[C@@H](NC(N)=O)C(=O)N(Cc1ccccc1)[*:1]
CC(C)CN[C@H](C#N)c1ccc(C2CC2)cc1 CC(C)CN[*:1] N#C[C@H](c1ccc(cc1)C1CC1)[*:1]
CC(C)CN[C@H](C#N)c1ccc(C2CC2)cc1 CC(C)C[*:1] N#C[C@@H](N[*:1])c1ccc(cc1)C1CC1
CC(C)CN[C@H](C#N)c1ccc(C2CC2)cc1 C1CC1[*:1] CC(C)CN[C@H](C#N)c1ccc(cc1)[*:1]
CC(C)CN[C@H](C#N)c1ccc(C2CC2)cc1 CC(C)[*:1] N#C[C@@H](NC[*:1])c1ccc(cc1)C1CC1
C[NH+](C)CCN(Cc1ccco1)C(=O)C[C@@H]1CCc2ccccc21 c1coc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)C[C@@H]1CCc2ccccc21
C[NH+](C)CCN(Cc1ccco1)C(=O)C[C@@H]1CCc2ccccc21 c1coc(c1)C[*:1] C[NH+](C)CCN(C(=O)C[C@@H]1CCc2ccccc21)[*:1]
C[C@@H](CNC(=O)NCc1ccc([S@](C)=O)cc1)Cc1cccs1 c1csc(c1)[*:1] C[C@@H](CNC(=O)NCc1ccc(cc1)[S@](C)=O)C[*:1]
C[C@@H](CNC(=O)NCc1ccc([S@](C)=O)cc1)Cc1cccs1 c1csc(c1)C[*:1] C[C@@H](CNC(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
C[C@@H](CNC(=O)NCc1ccc([S@](C)=O)cc1)Cc1cccs1 C[S@](=O)[*:1] C[C@@H](CNC(=O)NCc1ccc(cc1)[*:1])Cc1cccs1
C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 Fc1cncc(c1)[*:1] C[C@H](NCCc1cccc(c1)[N+](=O)[O-])[*:1]
C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 O=[N+]([O-])[*:1] C[C@H](NCCc1cccc(c1)[*:1])c1cncc(F)c1
Cn1nc(N2CCN(c3ncccn3)CC2)c(=O)n(C)c1=O c1cnc(nc1)[*:1] Cn1nc(c(=O)n(C)c1=O)N1CCN(CC1)[*:1]
O=S(=O)(Cc1ccc(F)cc1)NC[C@@](O)(c1cccs1)C(F)(F)F c1csc(c1)[*:1] O=S(=O)(Cc1ccc(F)cc1)NC[C@@](O)(C(F)(F)F)[*:1]
O=S(=O)(Cc1ccc(F)cc1)NC[C@@](O)(c1cccs1)C(F)(F)F Fc1ccc(cc1)C[*:1] O=S(=O)(NC[C@@](O)(c1cccs1)C(F)(F)F)[*:1]
O=S(=O)(Cc1ccc(F)cc1)NC[C@@](O)(c1cccs1)C(F)(F)F Fc1ccc(cc1)[*:1] O=S(=O)(C[*:1])NC[C@@](O)(c1cccs1)C(F)(F)F
O=S(=O)(Cc1ccc(F)cc1)NC[C@@](O)(c1cccs1)C(F)(F)F FC(F)(F)[*:1] O=S(=O)(Cc1ccc(F)cc1)NC[C@@](O)(c1cccs1)[*:1]
C/C(=C\C(=O)Nc1ccccc1)NNC(=O)COc1ccccc1Br c1ccc(cc1)[*:1] C/C(=C\C(=O)N[*:1])NNC(=O)COc1ccccc1Br
C/C(=C\C(=O)Nc1ccccc1)NNC(=O)COc1ccccc1Br Brc1ccccc1[*:1] C/C(=C\C(=O)Nc1ccccc1)NNC(=O)CO[*:1]
C/C(=C\C(=O)Nc1ccccc1)NNC(=O)COc1ccccc1Br Brc1ccccc1O[*:1] C/C(=C\C(=O)Nc1ccccc1)NNC(=O)C[*:1]
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cn1cncn1 c1ncn(C[*:1])n1 O=C(Nc1ccc(Cl)c(c1)[N+](=O)[O-])c1ccccc1[*:1]
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cn1cncn1 O=[N+]([O-])[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1ccccc1Cn1cncn1
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cn1cncn1 c1ncn(n1)[*:1] O=C(Nc1ccc(Cl)c(c1)[N+](=O)[O-])c1ccccc1C[*:1]
CON(C)C(=O)c1ccccc1C(=O)c1cc(C)ccc1C CON(C)C(=O)[*:1] Cc1ccc(C)c(c1)C(=O)c1ccccc1[*:1]
Cc1nccn1Cc1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)cc1 Cc1nccn1C[*:1] O=C(Nc1ccc(cc1)[*:1])c1cnc(s1)[C@@H]1CCCO1
Cc1nccn1Cc1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)cc1 Cc1nccn1[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cnc(s1)[C@@H]1CCCO1
C[S@](=O)c1ccc(C(=O)OCCC(C)(C)C)cc1 CC(C)(C)C[*:1] C[S@](=O)c1ccc(cc1)C(=O)OC[*:1]
C[S@](=O)c1ccc(C(=O)OCCC(C)(C)C)cc1 CC(C)(C)CC[*:1] C[S@](=O)c1ccc(cc1)C(=O)O[*:1]
C[S@](=O)c1ccc(C(=O)OCCC(C)(C)C)cc1 CC(C)(C)[*:1] C[S@](=O)c1ccc(cc1)C(=O)OCC[*:1]
C[S@](=O)c1ccc(C(=O)OCCC(C)(C)C)cc1 C[S@](=O)[*:1] CC(C)(C)CCOC(=O)c1ccc(cc1)[*:1]
CCc1nnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 CCc1nnc(s1)[*:1] Cn1c(=O)c2c(ncn2CC(=O)N[*:1])n(C)c1=O
CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 CCCNC(=O)[*:1] O=C(N[C@@H](Cc1c[nH]c2ccccc12)[*:1])[C@H]1Cc2ccccc2C[NH2+]1
CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 c1ccc2c(c[nH]c2c1)[*:1] CCCNC(=O)[C@H](C[*:1])NC(=O)[C@H]1Cc2ccccc2C[NH2+]1
CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 CCC[*:1] O=C(N[*:1])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1
CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 c1ccc2c(c[nH]c2c1)C[*:1] CCCNC(=O)[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)[*:1]
O=C([O-])CN(C[C@@H]1COc2ccccc2O1)CC(F)(F)F FC(F)(F)C[*:1] O=C([O-])CN(C[C@@H]1COc2ccccc2O1)[*:1]
O=C([O-])CN(C[C@@H]1COc2ccccc2O1)CC(F)(F)F O=C([O-])C[*:1] FC(F)(F)CN(C[C@@H]1COc2ccccc2O1)[*:1]
O=C([O-])CN(C[C@@H]1COc2ccccc2O1)CC(F)(F)F O=C([O-])[*:1] FC(F)(F)CN(C[C@@H]1COc2ccccc2O1)C[*:1]
O=C([O-])CN(C[C@@H]1COc2ccccc2O1)CC(F)(F)F FC(F)(F)[*:1] O=C([O-])CN(C[C@@H]1COc2ccccc2O1)C[*:1]
C[C@@H]1C[C@H]1NC(=O)c1cnn2c1nc([O-])c1ccccc12 C[C@@H]1C[C@H]1NC(=O)[*:1] [O-]c1nc2c(cnn2c2ccccc12)[*:1]
CCc1nc(-c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)cc2)no1 O=C(Nc1ccc(F)c(Cl)c1)[*:1] CCc1nc(no1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
CCc1nc(-c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)cc2)no1 Fc1ccc(cc1Cl)[*:1] CCc1nc(no1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCc1nc(-c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)cc2)no1 CCc1nc(no1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
O=C(Nc1nc2ccccc2[nH]1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F Clc1ccc(cc1)[*:1] O=C(Nc1nc2ccccc2[nH]1)c1cnn(c1C(F)(F)F)[*:1]
O=C(Nc1nc2ccccc2[nH]1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F c1ccc2[nH]c(nc2c1)[*:1] O=C(N[*:1])c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
O=C(Nc1nc2ccccc2[nH]1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1nc2ccccc2[nH]1)c1cnn(-c2ccc(Cl)cc2)c1[*:1]
CN(C(=O)Cc1ccc2c(c1)CCCC2)C1CCOCC1 C1CC(CCO1)[*:1] CN(C(=O)Cc1ccc2CCCCc2c1)[*:1]
CN(C)C(=O)CN1CCN(Cc2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] CN(C)C(=O)CN1CCN(CC1)C[*:1]
CN(C)C(=O)CN1CCN(Cc2ccc(Br)s2)CC1 CN(C)C(=O)[*:1] Brc1ccc(CN2CCN(CC2)C[*:1])s1
CN(C)C(=O)CN1CCN(Cc2ccc(Br)s2)CC1 CN(C)C(=O)C[*:1] Brc1ccc(CN2CCN(CC2)[*:1])s1
Cc1cccc(OCCNC(=O)C[NH+]2CCC(NC(N)=O)CC2)c1 NC(=O)N[*:1] Cc1cccc(c1)OCCNC(=O)C[NH+]1CCC(CC1)[*:1]
Cc1cccc(OCCNC(=O)C[NH+]2CCC(NC(N)=O)CC2)c1 Cc1cccc(c1)O[*:1] NC(=O)NC1CC[NH+](CC1)CC(=O)NCC[*:1]
Cc1cccc(OCCNC(=O)C[NH+]2CCC(NC(N)=O)CC2)c1 Cc1cccc(c1)[*:1] NC(=O)NC1CC[NH+](CC1)CC(=O)NCCO[*:1]
CC(=O)C1=C(N2CCCCC2)[C@@H](c2ccccc2)OC1=O C1CCN(CC1)[*:1] CC(=O)C1C(=O)O[C@@H](C=1[*:1])c1ccccc1
CC(=O)C1=C(N2CCCCC2)[C@@H](c2ccccc2)OC1=O c1ccc(cc1)[*:1] CC(=O)C1C(=O)O[C@H](C=1N1CCCCC1)[*:1]
CC(=O)C1=C(N2CCCCC2)[C@@H](c2ccccc2)OC1=O CC(=O)[*:1] O=C1O[C@@H](C(=C1[*:1])N1CCCCC1)c1ccccc1
CC(C)Oc1cccc(CN(C)C(=O)[C@H]2CCO[C@@H]2C)c1 CC(C)[*:1] C[C@H]1OCC[C@@H]1C(=O)N(C)Cc1cccc(c1)O[*:1]
CC(C)Oc1cccc(CN(C)C(=O)[C@H]2CCO[C@@H]2C)c1 CC(C)O[*:1] C[C@H]1OCC[C@@H]1C(=O)N(C)Cc1cccc(c1)[*:1]
O=C(NCC(=O)N1CCC(c2cccc3ccccc23)CC1)C1CC1 C1CC1[*:1] O=C(CNC(=O)[*:1])N1CCC(CC1)c1cccc2ccccc12
O=C(NCC(=O)N1CCC(c2cccc3ccccc23)CC1)C1CC1 O=C(N[*:1])C1CC1 O=C(C[*:1])N1CCC(CC1)c1cccc2ccccc12
O=C(NCC(=O)N1CCC(c2cccc3ccccc23)CC1)C1CC1 O=C(NC[*:1])C1CC1 O=C(N1CCC(CC1)c1cccc2ccccc12)[*:1]
CCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3c(C)cccc3C)c12 Cc1cccc(C)c1[*:1] CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[*:1])c12
CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CN3CCNC(=O)C3)C2=O)cc1 CC(C)(C)[*:1] C[C@@]1(NC(=O)N(CN2CCNC(=O)C2)C1=O)c1ccc(cc1)[*:1]
CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CN3CCNC(=O)C3)C2=O)cc1 O=C1CN(CCN1)[*:1] CC(C)(C)c1ccc(cc1)[C@@]1(C)NC(=O)N(C[*:1])C1=O
CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CN3CCNC(=O)C3)C2=O)cc1 O=C1CN(CCN1)C[*:1] CC(C)(C)c1ccc(cc1)[C@@]1(C)NC(=O)N(C1=O)[*:1]
O=C(/C=C/c1cccs1)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 C(=C[*:1])c1cccs1 O=C(C1CCCC1)N1CCc2ccc(cc21)NC(=O)[*:1]
O=C(/C=C/c1cccs1)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 C1CCC(C1)[*:1] O=C(/C=C/c1cccs1)Nc1ccc2CCN(C(=O)[*:1])c2c1
O=C(/C=C/c1cccs1)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 c1csc(c1)[*:1] O=C(C=C[*:1])Nc1ccc2CCN(C(=O)C3CCCC3)c2c1
CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)c(C)c2)c1 CSc1cccc(c1)[*:1] Cc1ccc(cc1C)N(C)S(=O)(=O)c1ccsc1C(=O)N[*:1]
CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)c(C)c2)c1 Cc1ccc(cc1C)[*:1] CSc1cccc(c1)NC(=O)c1sccc1S(=O)(=O)N(C)[*:1]
COc1ccc(-n2ccn3cc(-c4ccc(F)cc4F)nc3c2=O)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1)-n1ccn2cc(nc2c1=O)[*:1]
COc1ccc(-n2ccn3cc(-c4ccc(F)cc4F)nc3c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c2nc(cn2ccn1[*:1])-c1ccc(F)cc1F
CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccccc1Cl CC(C)[*:1] CCN(CC(=O)N[*:1])S(=O)(=O)c1ccccc1Cl
CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccccc1Cl CC(C)NC(=O)[*:1] CCN(C[*:1])S(=O)(=O)c1ccccc1Cl
CCc1csc([C@@H]2CCCN(Cc3ccc(CC(=O)OC)s3)C2)n1 CCc1csc(n1)[*:1] COC(=O)Cc1ccc(CN2CCC[C@H](C2)[*:1])s1
CCc1csc([C@@H]2CCCN(Cc3ccc(CC(=O)OC)s3)C2)n1 COC(=O)C[*:1] CCc1csc(n1)[C@@H]1CCCN(Cc2ccc(s2)[*:1])C1
CCc1csc([C@@H]2CCCN(Cc3ccc(CC(=O)OC)s3)C2)n1 COC(=O)[*:1] CCc1csc(n1)[C@@H]1CCCN(Cc2ccc(C[*:1])s2)C1
CCCn1ncnc1C[C@H](O)[C@@](C)(CC)[NH+]1CCCC1 CCC[*:1] CC[C@](C)([C@@H](O)Cc1ncnn1[*:1])[NH+]1CCCC1
COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C)on1)CC2 Cc1cc(no1)[*:1] COc1ccc2CC[C@H]([NH2+]C[*:1])c2c1
NC(=S)COc1ccc(NC(=O)c2ccc(O)cc2)cc1 NC(=S)C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1ccc(O)cc1
NC(=S)COc1ccc(NC(=O)c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] NC(=S)COc1ccc(cc1)NC(=O)[*:1]
NC(=S)COc1ccc(NC(=O)c2ccc(O)cc2)cc1 NC(=S)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(O)cc1
NC(=S)COc1ccc(NC(=O)c2ccc(O)cc2)cc1 NC(=S)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1ccc(O)cc1
COC[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC(F)F)CCO1 COC[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)N1CCO[C@@H](C1)[*:1]
COC[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC(F)F)CCO1 FC(F)C[*:1] COC[C@@H]1CN(CCO1)C(=O)Nc1ccc(F)cc1O[*:1]
COC[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC(F)F)CCO1 FC(F)CO[*:1] COC[C@@H]1CN(CCO1)C(=O)Nc1ccc(F)cc1[*:1]
COC[C@@H]1CN(C(=O)Nc2ccc(F)cc2OCC(F)F)CCO1 FC(F)[*:1] COC[C@@H]1CN(CCO1)C(=O)Nc1ccc(F)cc1OC[*:1]
Fc1ccccc1N1CC[NH+](C2CCN(CC3=c4ccccc4=[NH+]C3)CC2)CC1 Fc1ccccc1[*:1] c1ccc2=C(C[NH+]=c2c1)CN1CCC(CC1)[NH+]1CCN(CC1)[*:1]
O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2ccccc2Cl)c1O c1ccc(nc1)[*:1] O=c1cc(CO)oc(c1O)[C@@H](N[*:1])c1ccccc1Cl
O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2ccccc2Cl)c1O c1ccc(nc1)N[*:1] O=c1cc(CO)oc(c1O)[C@@H](c1ccccc1Cl)[*:1]
O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2ccccc2Cl)c1O Clc1ccccc1[*:1] O=c1cc(CO)oc(c1O)[C@@H](Nc1ccccn1)[*:1]
O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCO2 Clc1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1ccc2OCCc2c1
O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCO2 Clc1ccc(cc1)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1ccc2OCCc2c1
CCNC(=O)[C@H]1CCCN([C@H](C(=O)OC)c2ccccc2F)C1 CCNC(=O)[*:1] COC(=O)[C@H](c1ccccc1F)N1CCC[C@@H](C1)[*:1]
CCNC(=O)[C@H]1CCCN([C@H](C(=O)OC)c2ccccc2F)C1 Fc1ccccc1[*:1] CCNC(=O)[C@H]1CCCN(C1)[C@H](C(=O)OC)[*:1]
CCNC(=O)[C@H]1CCCN([C@H](C(=O)OC)c2ccccc2F)C1 COC(=O)[*:1] CCNC(=O)[C@H]1CCCN(C1)[C@H](c1ccccc1F)[*:1]
O=C(Nc1nnc(S(=O)(=O)N2CCOCC2)s1)C12CC3CC(CC(C3)C1)C2 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1nnc(s1)[*:1])C12CC3CC(CC(C3)C1)C2
C[C@H](OC(=O)c1cc(C(N)=O)cn1C)c1nc2cc(Cl)ccc2n1C NC(=O)[*:1] C[C@H](OC(=O)c1cc(cn1C)[*:1])c1nc2cc(Cl)ccc2n1C
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 CC(C)(C)[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C(C)(C)CNC(=O)C(=O)Nc1ccnn1[*:1]
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 CC(C)(C)n1nccc1[*:1] C[C@H]1C[C@H](C)C[NH+](C1)C(C)(C)CNC(=O)C(=O)N[*:1]
COc1ccc(CNC(=O)N(C)C2CCOCC2)cc1C C1CC(CCO1)[*:1] COc1ccc(cc1C)CNC(=O)N(C)[*:1]
CCO[C@H]1C[C@H]1C(=O)OCC(=O)N1CCc2ccccc21 CCO[*:1] O=C(OCC(=O)N1CCc2ccccc21)[C@@H]1C[C@@H]1[*:1]
COc1ccc(CC(=O)NCc2ccc(C(F)(F)F)cc2)c(OC)c1 FC(F)(F)[*:1] COc1ccc(CC(=O)NCc2ccc(cc2)[*:1])c(c1)OC
Cc1nn(CC(=O)OC2(C3CC3)CC2)c(=O)c2ccccc12 C1CC1[*:1] Cc1nn(CC(=O)OC2(CC2)[*:1])c(=O)c2ccccc12
Cc1nn(CC(=O)OC2(C3CC3)CC2)c(=O)c2ccccc12 C1CC1C1(CC1)[*:1] Cc1nn(CC(=O)O[*:1])c(=O)c2ccccc12
O=C(NCCc1n[nH]c(=O)[nH]1)c1cnc(-c2ccccc2F)s1 O=c1[nH]nc([nH]1)[*:1] O=C(NCC[*:1])c1cnc(s1)-c1ccccc1F
O=C(NCCc1n[nH]c(=O)[nH]1)c1cnc(-c2ccccc2F)s1 O=c1[nH]nc(C[*:1])[nH]1 O=C(NC[*:1])c1cnc(s1)-c1ccccc1F
O=C(NCCc1n[nH]c(=O)[nH]1)c1cnc(-c2ccccc2F)s1 Fc1ccccc1[*:1] O=C(NCCc1n[nH]c(=O)[nH]1)c1cnc(s1)[*:1]
C[C@H](CCO)NC(=O)c1nc(C2CC2)n2ccccc12 OCC[*:1] C[C@H](NC(=O)c1nc(C2CC2)n2ccccc12)[*:1]
C[C@H](CCO)NC(=O)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] C[C@H](CCO)NC(=O)c1nc(n2ccccc12)[*:1]
C[C@H](CCO)NC(=O)c1nc(C2CC2)n2ccccc12 C[C@H](CCO)[*:1] O=C(N[*:1])c1nc(C2CC2)n2ccccc12
CCCNC(=O)c1cccc(NC(=O)c2c(C)nsc2NC)c1 CCC[*:1] CNc1snc(C)c1C(=O)Nc1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(NC(=O)c2c(C)nsc2NC)c1 CCCNC(=O)[*:1] CNc1snc(C)c1C(=O)Nc1cccc(c1)[*:1]
C[C@@H](OC(=O)c1ccccc1C(=O)N(C)C1CCCCC1)C(=O)N1CCNC1=O C1CCC(CC1)[*:1] C[C@@H](OC(=O)c1ccccc1C(=O)N(C)[*:1])C(=O)N1CCNC1=O
C[C@@H](OC(=O)c1ccccc1C(=O)N(C)C1CCCCC1)C(=O)N1CCNC1=O O=C1NCCN1C(=O)[*:1] C[C@@H](OC(=O)c1ccccc1C(=O)N(C)C1CCCCC1)[*:1]
C[C@@H]1CC(C(=O)NCc2ccccc2Cn2cccn2)C[C@@H](C)O1 c1cnn(c1)C[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCc1ccccc1[*:1]
C[C@@H]1CC(C(=O)NCc2ccccc2Cn2cccn2)C[C@@H](C)O1 c1cnn(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCc1ccccc1C[*:1]
CCN1CCO[C@@H]([C@H](O)Cc2ccc(C(C)C)cc2)C1 CC(C)[*:1] CCN1CCO[C@H](C1)[C@H](O)Cc1ccc(cc1)[*:1]
CC(C)C[C@@H]1COCCN1C(=O)c1csc(-c2ccccc2F)n1 CC(C)C[*:1] O=C(c1csc(n1)-c1ccccc1F)N1CCOC[C@H]1[*:1]
CC(C)C[C@@H]1COCCN1C(=O)c1csc(-c2ccccc2F)n1 CC(C)[*:1] O=C(c1csc(n1)-c1ccccc1F)N1CCOC[C@H]1C[*:1]
CC(C)C[C@@H]1COCCN1C(=O)c1csc(-c2ccccc2F)n1 Fc1ccccc1[*:1] CC(C)C[C@@H]1COCCN1C(=O)c1csc(n1)[*:1]
CCOc1cc(CNC(=O)C2CCN(c3[nH]c4cc(C)ccc4[nH+]3)CC2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])CNC(=O)C1CCN(CC1)c1[nH]c2cc(C)ccc2[nH+]1
CC(C)c1cc(C(=O)NC[C@](C)(O)c2ccco2)c2ccccc2n1 CC(C)[*:1] C[C@](O)(CNC(=O)c1cc(nc2ccccc12)[*:1])c1ccco1
CC(C)c1cc(C(=O)NC[C@](C)(O)c2ccco2)c2ccccc2n1 c1coc(c1)[*:1] CC(C)c1cc(C(=O)NC[C@](C)(O)[*:1])c2ccccc2n1
O=C(NC1CCCC1)[C@H](c1ccc(O)cc1)N(C[C@H]1CCCO1)C(=O)[C@@H]1COc2ccccc2O1 C1CCC(C1)[*:1] O=C(N[*:1])[C@H](c1ccc(O)cc1)N(C[C@H]1CCCO1)C(=O)[C@@H]1COc2ccccc2O1
O=C(NC1CCCC1)[C@H](c1ccc(O)cc1)N(C[C@H]1CCCO1)C(=O)[C@@H]1COc2ccccc2O1 O=C(NC1CCCC1)[*:1] O=C([C@@H]1COc2ccccc2O1)N(C[C@H]1CCCO1)[C@@H](c1ccc(O)cc1)[*:1]
O=C(NC1CCCC1)[C@H](c1ccc(O)cc1)N(C[C@H]1CCCO1)C(=O)[C@@H]1COc2ccccc2O1 Oc1ccc(cc1)[*:1] O=C(NC1CCCC1)[C@H](N(C[C@H]1CCCO1)C(=O)[C@@H]1COc2ccccc2O1)[*:1]
CCOC(=O)[C@]1(NC)CC[C@H](n2ccc(C(F)(F)F)n2)C1 CCOC(=O)[*:1] CN[C@@]1(CC[C@@H](C1)n1ccc(n1)C(F)(F)F)[*:1]
CCOC(=O)[C@]1(NC)CC[C@H](n2ccc(C(F)(F)F)n2)C1 FC(F)(F)[*:1] CCOC(=O)[C@@]1(CC[C@@H](C1)n1ccc(n1)[*:1])NC
NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1 c1coc(c1)[*:1] NC(=O)C(=C[*:1])NC(=O)c1ccco1
NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1 NC(=O)[*:1] O=C(N/C(=C/c1ccco1)[*:1])c1ccco1
NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1 c1coc(c1)[*:1] NC(=O)/C(=C\c1ccco1)NC(=O)[*:1]
O=[N+]([O-])c1cccc(CN2CCn3cccc3[C@@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)CN1CCn2cccc2[C@H]1[*:1]
O=[N+]([O-])c1cccc(CN2CCn3cccc3[C@@H]2c2ccccc2)c1 O=[N+]([O-])[*:1] c1ccc(cc1)[C@H]1c2cccn2CCN1Cc1cccc(c1)[*:1]
CCOc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 CCO[*:1] O=C1/C(=N\c2ccc(cc2)[*:1])c2ccccc2N1CN1CCOCC1
CCOc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 C1CN(CCO1)C[*:1] CCOc1ccc(cc1)/N=C1\C(=O)N(c2ccccc21)[*:1]
CCOc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 CCOc1ccc(cc1)[*:1] O=C1C(=N[*:1])c2ccccc2N1CN1CCOCC1
CCOc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 C1CN(CCO1)[*:1] CCOc1ccc(cc1)/N=C1\C(=O)N(C[*:1])c2ccccc21
CCCc1nc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n[nH]1 CCC[*:1] O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1n[nH]c(n1)[*:1]
C[C@@H]1CN([C@@H](c2ccc(Cl)cc2)c2sc3nc(-c4ccco4)nn3c2O)C[C@@H](C)O1 c1coc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)[C@@H](c1ccc(Cl)cc1)c1sc2nc(nn2c1O)[*:1]
C[C@@H]1CN([C@@H](c2ccc(Cl)cc2)c2sc3nc(-c4ccco4)nn3c2O)C[C@@H](C)O1 Clc1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)[C@@H](c1sc2nc(nn2c1O)-c1ccco1)[*:1]
CC(C)Cc1ccc([C@@H](Cl)[C@@H]2CCO[C@@H]2C)cc1 CC(C)C[*:1] C[C@H]1OCC[C@H]1[C@H](Cl)c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H](Cl)[C@@H]2CCO[C@@H]2C)cc1 CC(C)[*:1] C[C@H]1OCC[C@H]1[C@H](Cl)c1ccc(cc1)C[*:1]
COc1cccc(OC[C@@H]2CCCN(C(=O)C3CCS(=O)(=O)CC3)C2)c1 COc1cccc(c1)[*:1] O=C(C1CCS(=O)(=O)CC1)N1CCC[C@@H](CO[*:1])C1
COc1cccc(OC[C@@H]2CCCN(C(=O)C3CCS(=O)(=O)CC3)C2)c1 O=S1(=O)CCC(CC1)[*:1] COc1cccc(c1)OC[C@@H]1CCCN(C1)C(=O)[*:1]
CCOc1ccc(CN2CCN(c3cccc[nH+]3)CC2)cc1 CCO[*:1] c1ccc([nH+]c1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
O=C(Cn1cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 O=S(=O)(N1CCCC1)[*:1] O=C(Cn1cnc2ccccc21)Nc1cccc(c1)[*:1]
O=C(Cn1cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 c1ccc2c(c1)ncn2[*:1] O=C(C[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCC1
N#Cc1ccc(OCc2ccc(C(=O)N=c3[nH]c4ccccc4[nH]3)o2)cc1 N#Cc1ccc(cc1)O[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(C[*:1])o1
N#Cc1ccc(OCc2ccc(C(=O)N=c3[nH]c4ccccc4[nH]3)o2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(CO[*:1])o1
CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1Cl CC(=O)N[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NS(=O)(=O)c1cc(Cl)c(cc1F)[*:1]
COc1cc(NCc2ccc3ccccc3n2)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])NCc1ccc2ccccc2n1
COCc1c(C(=O)Nc2ccc(OC)cc2OC)sc2cccc(F)c12 COC[*:1] COc1ccc(NC(=O)c2sc3cccc(F)c3c2[*:1])c(c1)OC
Cc1cccn2c(=O)c(/C=N/NC(N)=S)c(N3CCCC3)nc12 NC(=S)NN=C[*:1] Cc1cccn2c(=O)c(c(nc12)N1CCCC1)[*:1]
Cc1cccn2c(=O)c(/C=N/NC(N)=S)c(N3CCCC3)nc12 C1CCN(C1)[*:1] Cc1cccn2c(=O)c(/C=N/NC(N)=S)c(nc12)[*:1]
CC(C)(C)c1ccc(NCC(=O)NCc2ccc3c(c2)OCO3)cc1 CC(C)(C)[*:1] O=C(CNc1ccc(cc1)[*:1])NCc1ccc2OCOc2c1
CCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc(F)c1 COC(=O)[*:1] CCCOC(=O)C1=C(C)NC2C[C@H](C)[C@H](C(=O)C=2[C@@H]1c1cccc(F)c1)[*:1]
CCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCCOC(=O)C1=C(C)NC2C[C@H](C)[C@H](C(=O)OC)C(=O)C=2[C@H]1[*:1]
CCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc(F)c1 CCCOC(=O)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C([C@H]2c1cccc(F)c1)[*:1]
CCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc(F)c1 CCC[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)O[*:1])[C@H]2c1cccc(F)c1
Cc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(Br)cc4)ccn23)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CSc1nnc2c(=O)n(ccn12)-c1ccc(Br)cc1)[*:1]
Cc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(Br)cc4)ccn23)c(C)c1 Brc1ccc(cc1)[*:1] Cc1ccc(C(=O)CSc2nnc3c(=O)n(ccn23)[*:1])c(C)c1
C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)C[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(c1)[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(c1)C[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(Cn2ccnc2)c1 Fc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NCc1cccc(c1)Cn1ccnc1
C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(Cn2ccnc2)c1 Fc1ccc(cc1)O[*:1] C[C@@H](C(=O)NCc1cccc(c1)Cn1ccnc1)[*:1]
CCC[NH2+][C@@H]1[C@H](C[NH+](CC)CC)CCCC1(C)C CCC[*:1] CC[NH+](CC)C[C@@H]1CCCC(C)(C)[C@@H]1[NH2+][*:1]
CCC[NH2+][C@@H]1[C@H](C[NH+](CC)CC)CCCC1(C)C CC[NH+](CC)C[*:1] CCC[NH2+][C@@H]1[C@H](CCCC1(C)C)[*:1]
CC(C)[C@H](C)[S@](=O)CC(=O)N1CCN(c2cccc(F)c2C#N)CC1 CC(C)[*:1] C[C@H]([S@](=O)CC(=O)N1CCN(CC1)c1cccc(F)c1C#N)[*:1]
CC(=O)c1cc(C)ccc1OCc1ccc(F)cc1 CC(=O)[*:1] Cc1ccc(OCc2ccc(F)cc2)c(c1)[*:1]
COC(=O)Cn1/c(=N/C(=O)c2ccno2)sc2cc3c(cc21)OCCO3 COC(=O)C[*:1] O=C(/N=c1\sc2cc3OCCOc3cc2n1[*:1])c1ccno1
COC(=O)Cn1/c(=N/C(=O)c2ccno2)sc2cc3c(cc21)OCCO3 COC(=O)[*:1] O=C(/N=c1\sc2cc3OCCOc3cc2n1C[*:1])c1ccno1
COC(=O)Cn1/c(=N/C(=O)c2ccno2)sc2cc3c(cc21)OCCO3 c1cc(on1)[*:1] COC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc3OCCOc3cc21
O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCCCCC1 C1CC1[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])N1CCCCCC1
O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCCCCC1 C1CC1[*:1] O=C(CSc1nnc(C2CC2)n1[*:1])N1CCCCCC1
C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc(cc1)[*:1]
C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc(cc1)NC(=O)[*:1]
C[C@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1cccc(c1)[*:1]
C[C@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1cccc(N2CCCC2=O)c1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)N(C)C[*:1])c1cccc(c1)N1CCCC1=O
C[C@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1cccc(N2CCCC2=O)c1 Clc1ccc(cc1)C[*:1] C[C@H](NC(=O)N(C)[*:1])c1cccc(c1)N1CCCC1=O
CCC[NH2+][C@@H](c1ccn(CCO)c1)C(C)C CCC[*:1] CC(C)[C@@H]([NH2+][*:1])c1ccn(c1)CCO
CCC[NH2+][C@@H](c1ccn(CCO)c1)C(C)C CC(C)[*:1] CCC[NH2+][C@@H](c1ccn(c1)CCO)[*:1]
CCC[NH2+][C@@H](c1ccn(CCO)c1)C(C)C OCC[*:1] CCC[NH2+][C@@H](c1ccn(c1)[*:1])C(C)C
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] O=C(N[C@H]1CCN(C1)c1ccccc1)c1ccc(nc1)O[*:1]
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc(OCC(F)F)nc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1)[*:1])c1ccc(nc1)OCC(F)F
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc(OCC(F)F)nc1 FC(F)[*:1] O=C(N[C@H]1CCN(C1)c1ccccc1)c1ccc(nc1)OC[*:1]
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] O=C(N[C@H]1CCN(C1)c1ccccc1)c1ccc(nc1)[*:1]
C[C@H](c1cccs1)N(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 c1csc(c1)[*:1] C[C@H](N(C)C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
C[C@H](c1cccs1)N(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 C[C@H](c1cccs1)[*:1] CN(C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
CN1CCCNC(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 Oc1cccc(c1)[*:1] CN1CCCNC(=O)C12CC[NH+](CC2)C[*:1]
COc1cccc(CNC(=O)CCc2nnc3ccc(N4CCC5(CC4)OCCO5)nn23)c1 COc1cccc(c1)[*:1] O=C(CCc1nnc2ccc(nn12)N1CCC2(CC1)OCCO2)NC[*:1]
COc1cccc(CNC(=O)CCc2nnc3ccc(N4CCC5(CC4)OCCO5)nn23)c1 COc1cccc(c1)C[*:1] O=C(CCc1nnc2ccc(nn12)N1CCC2(CC1)OCCO2)N[*:1]
Cc1c(C(=O)N2C[C@@H](C)NC(=O)c3ccc(F)cc32)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)N1C[C@@H](C)NC(=O)c2ccc(F)cc21
Cc1c([C@H](C)N[C@H](CO)c2cnn(C)c2)nnn1-c1cccc(Cl)c1 Cn1cc(cn1)[*:1] Cc1c(nnn1-c1cccc(Cl)c1)[C@H](C)N[C@H](CO)[*:1]
Cc1c([C@H](C)N[C@H](CO)c2cnn(C)c2)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(nnn1[*:1])[C@H](C)N[C@H](CO)c1cnn(C)c1
C#CCNC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 C#CC[*:1] C[C@@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1Cl FC(F)(F)C[*:1] COc1ccc(cc1Cl)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1Cl FC(F)(F)[*:1] COc1ccc(cc1Cl)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1cc(N2CCCCC2)ncn1)c1cccs1 C1CCN(CC1)[*:1] O=C(Nc1cc(ncn1)[*:1])c1cccs1
O=C(Nc1cc(N2CCCCC2)ncn1)c1cccs1 c1csc(c1)[*:1] O=C(Nc1cc(ncn1)N1CCCCC1)[*:1]
COc1ccccc1C[C@H]1CCCN1C(=O)C1CCCC1 C1CCC(C1)[*:1] COc1ccccc1C[C@H]1CCCN1C(=O)[*:1]
CC(C)Cn1ccnc(N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1=O CC(C)C[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)Nc1nccn(c1=O)[*:1]
CC(C)Cn1ccnc(N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1=O CC(C)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)Nc1nccn(C[*:1])c1=O
Cc1ccccc1Nc1oc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C Cc1ccccc1[*:1] Cn1c(=O)c2c(-c3ccc(Cl)cc3)c(N[*:1])oc2n(C)c1=O
Cc1ccccc1Nc1oc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C Clc1ccc(cc1)[*:1] Cc1ccccc1Nc1oc2c(c1[*:1])c(=O)n(C)c(=O)n2C
Cc1ccccc1Nc1oc2c(c1-c1ccc(Cl)cc1)c(=O)n(C)c(=O)n2C Cc1ccccc1N[*:1] Cn1c(=O)c2c(-c3ccc(Cl)cc3)c(oc2n(C)c1=O)[*:1]
O=C(OC[C@@H]1CCOC1)[C@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 C1C[C@H](CO1)C[*:1] O=C(O[*:1])[C@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1
O=C(OC[C@@H]1CCOC1)[C@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 C1C[C@H](CO1)[*:1] O=C(OC[*:1])[C@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1
COC(=O)c1cc2ccccn2c2c(C(=O)OC)c(C(=O)OC)cc1-2 COC(=O)[*:1] COC(=O)c1cc2ccccn2c2-c1cc(C(=O)OC)c2[*:1]
COC(=O)c1cc2ccccn2c2c(C(=O)OC)c(C(=O)OC)cc1-2 COC(=O)[*:1] COC(=O)c1cc2c(cc3ccccn3c-2c1C(=O)OC)[*:1]
COC(=O)c1cc2ccccn2c2c(C(=O)OC)c(C(=O)OC)cc1-2 COC(=O)[*:1] COC(=O)c1cc2ccccn2c2-c1cc(c2C(=O)OC)[*:1]
COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1[*:1]
COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccccc1Cl COC(=O)[*:1] O=C1NC(CN2CCc3ccccc3C2)=C([C@@H](N1)c1ccccc1Cl)[*:1]
CCC(=O)NC(=S)NNC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CCC(=O)NC(=S)NNC(=O)N[*:1]
CC1=C2[C@H](c3ccccc3F)CC(=O)N[C@@H]2N(c2ccc([O-])nn2)N1 Fc1ccccc1[*:1] CC1NN(c2ccc([O-])nn2)[C@H]2NC(=O)C[C@@H](C=12)[*:1]
O=S(=O)(Nc1cc(F)ccc1F)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(Nc1cc(F)ccc1F)[*:1]
CN[C@@H](Cc1nc(-c2ccccc2)cs1)C(C)(C)[NH+](C)C c1ccc(cc1)[*:1] CN[C@@H](Cc1nc(cs1)[*:1])C(C)(C)[NH+](C)C
Cc1ncccc1NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1 Cc1ncccc1[*:1] O=C(N[*:1])c1nc(C2CC2)n(n1)-c1ccccc1
Cc1ncccc1NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1ncccc1NC(=O)c1nc(C2CC2)n(n1)[*:1]
Cc1ncccc1NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1 C1CC1[*:1] Cc1ncccc1NC(=O)c1nc(n(n1)-c1ccccc1)[*:1]
CC(C)N(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)C1CCOCC1 CC(C)[*:1] O=C([C@H]1C[C@H]1c1c(F)cccc1F)N(C1CCOCC1)[*:1]
CC(C)N(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)C1CCOCC1 C1CC(CCO1)[*:1] CC(C)N(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)[*:1]
COc1cc(OC)c(CCC(=O)[O-])c(OC)c1 O=C([O-])[*:1] COc1cc(OC)c(CC[*:1])c(c1)OC
COc1cc(OC)c(CCC(=O)[O-])c(OC)c1 O=C([O-])CC[*:1] COc1cc(OC)c(c(c1)OC)[*:1]
COc1cc(OC)c(CCC(=O)[O-])c(OC)c1 O=C([O-])C[*:1] COc1cc(OC)c(C[*:1])c(c1)OC
O=C1c2ccccc2C(=O)N1CCC[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C1c2ccccc2C(=O)N1CCC[NH+]1CCCN(CC1)c1ccc(cn1)[*:1]
O=C1c2ccccc2C(=O)N1CCC[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)c1ccc(nc1)[*:1] O=C1c2ccccc2C(=O)N1CCC[NH+]1CCCN(CC1)[*:1]
O=C(CN1CCOCC1)NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN1CCOCC1)NC(=O)N[*:1]
O=C(CN1CCOCC1)NC(=O)NC1CCCCC1 C1CN(CCO1)[*:1] O=C(C[*:1])NC(=O)NC1CCCCC1
CCOc1cc2c(cc1CNC(=O)c1ccc(CNC(N)=O)cc1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)CNC(=O)c1ccc(cc1)CNC(N)=O)[*:1]
CCOc1cc2c(cc1CNC(=O)c1ccc(CNC(N)=O)cc1)O[C@H](C)C2 NC(=O)NC[*:1] CCOc1cc2C[C@@H](C)Oc2cc1CNC(=O)c1ccc(cc1)[*:1]
CCOc1cc2c(cc1CNC(=O)c1ccc(CNC(N)=O)cc1)O[C@H](C)C2 NC(=O)N[*:1] CCOc1cc2C[C@@H](C)Oc2cc1CNC(=O)c1ccc(cc1)C[*:1]
Cc1nn(C)cc1CCC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 Cc1nn(C)cc1C[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)C[*:1]
Cc1nn(C)cc1CCC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 Cc1nn(C)cc1[*:1] NC(=O)c1n[nH]c2ccc(cc12)NC(=O)CC[*:1]
Cc1nn(C)cc1CCC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 NC(=O)[*:1] Cc1nn(C)cc1CCC(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
O=C(CCOC1CCOCC1)N[C@@H]1CCSc2ccc(F)cc21 C1CC(CCO1)O[*:1] O=C(CC[*:1])N[C@@H]1CCSc2ccc(F)cc21
O=C(CCOC1CCOCC1)N[C@@H]1CCSc2ccc(F)cc21 C1CC(CCO1)[*:1] O=C(CCO[*:1])N[C@@H]1CCSc2ccc(F)cc21
Cn1cnc(CNC2CC[NH+](Cc3ccccc3Br)CC2)n1 Cn1cnc(C[*:1])n1 Brc1ccccc1C[NH+]1CCC(CC1)N[*:1]
Cn1cnc(CNC2CC[NH+](Cc3ccccc3Br)CC2)n1 Cn1cnc(n1)[*:1] Brc1ccccc1C[NH+]1CCC(CC1)NC[*:1]
Cn1cnc(CNC2CC[NH+](Cc3ccccc3Br)CC2)n1 Brc1ccccc1[*:1] Cn1cnc(CNC2CC[NH+](CC2)C[*:1])n1
COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)cc1)C3 COC(=O)CS[*:1] COc1ccc(cc1)[C@H]1CC(=O)c2cn3nc(nc3nc2C1)[*:1]
COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)cc1)C3 COC(=O)C[*:1] COc1ccc(cc1)[C@H]1CC(=O)c2cn3nc(nc3nc2C1)S[*:1]
COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)cc1)C3 COC(=O)[*:1] COc1ccc(cc1)[C@H]1CC(=O)c2cn3nc(nc3nc2C1)SC[*:1]
COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)cc1)C3 COc1ccc(cc1)[*:1] COC(=O)CSc1nc2nc3C[C@@H](CC(=O)c3cn2n1)[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)N2CCOC(C)(C)C2)CC1 CC(C)(C)[*:1] CC1(C)CN(CCO1)C(=O)NC1CCC(CC1)C(=O)O[*:1]
CC(C)(C)OC(=O)C1CCC(NC(=O)N2CCOC(C)(C)C2)CC1 CC(C)(C)OC(=O)[*:1] CC1(C)CN(CCO1)C(=O)NC1CCC(CC1)[*:1]
C[C@]1(C2CC2)NC(=O)N(C[C@@H]2Cc3ccccc3O2)C1=O C1CC1[*:1] C[C@@]1(NC(=O)N(C[C@@H]2Cc3ccccc3O2)C1=O)[*:1]
Cc1cc(Br)cnc1N1CCCN(CCC[NH3+])CC1 [NH3+]CC[*:1] Cc1cc(Br)cnc1N1CCCN(CC1)C[*:1]
Cc1cc(Br)cnc1N1CCCN(CCC[NH3+])CC1 [NH3+]CCC[*:1] Cc1cc(Br)cnc1N1CCCN(CC1)[*:1]
COc1ccc(-c2ccc(C(=O)Nc3ccccc3)o2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(-c2ccc(o2)C(=O)Nc2ccccc2)c(c1)[*:1]
COc1ccc(-c2ccc(C(=O)Nc3ccccc3)o2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] COc1ccc(-c2ccc(o2)C(=O)N[*:1])c(c1)[N+](=O)[O-]
NC(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(-n3cccc3)c2)C1 c1ccn(c1)[*:1] NC(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(F)c(c1)[*:1]
CC(=O)c1ccc2[nH]c(C)c(CN3CCN(c4ccccc4)CC3)c(=O)c2c1 CC(=O)[*:1] Cc1[nH]c2ccc(cc2c(=O)c1CN1CCN(CC1)c1ccccc1)[*:1]
CC(=O)c1ccc2[nH]c(C)c(CN3CCN(c4ccccc4)CC3)c(=O)c2c1 c1ccc(cc1)[*:1] CC(=O)c1ccc2[nH]c(C)c(CN3CCN(CC3)[*:1])c(=O)c2c1
COc1ccc(NC(C)=O)cc1NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 CC(=O)N[*:1] COc1ccc(cc1NC(=O)CCc1nc2sc3CCCc3c2c(=O)[nH]1)[*:1]
CCOc1ccc(-c2[nH]ncc2C(=O)NCC2CC2)cc1Cl CCO[*:1] O=C(NCC1CC1)c1cn[nH]c1-c1ccc(c(Cl)c1)[*:1]
CCOc1ccc(-c2[nH]ncc2C(=O)NCC2CC2)cc1Cl O=C(NCC1CC1)[*:1] CCOc1ccc(cc1Cl)-c1[nH]ncc1[*:1]
CCOc1ccc(-c2[nH]ncc2C(=O)NCC2CC2)cc1Cl C1CC1[*:1] CCOc1ccc(cc1Cl)-c1[nH]ncc1C(=O)NC[*:1]
CCOc1ccc(-c2[nH]ncc2C(=O)NCC2CC2)cc1Cl C1CC1C[*:1] CCOc1ccc(cc1Cl)-c1[nH]ncc1C(=O)N[*:1]
COC(=O)c1cc(C)nc2nc(=S)n(CC(=O)NC3CCC(C)CC3)c([O-])c12 CC1CCC(CC1)[*:1] COC(=O)c1cc(C)nc2nc(=S)n(CC(=O)N[*:1])c([O-])c12
COC(=O)c1cc(C)nc2nc(=S)n(CC(=O)NC3CCC(C)CC3)c([O-])c12 COC(=O)[*:1] Cc1cc(c2c([O-])n(CC(=O)NC3CCC(C)CC3)c(=S)nc2n1)[*:1]
CC(C)n1nccc1NC(=O)C[NH2+]C[C@@H]1CCCN1c1cccnn1 CC(C)n1nccc1[*:1] O=C(C[NH2+]C[C@@H]1CCCN1c1cccnn1)N[*:1]
CC(C)n1nccc1NC(=O)C[NH2+]C[C@@H]1CCCN1c1cccnn1 CC(C)[*:1] O=C(C[NH2+]C[C@@H]1CCCN1c1cccnn1)Nc1ccnn1[*:1]
CC(C)n1nccc1NC(=O)C[NH2+]C[C@@H]1CCCN1c1cccnn1 c1cnnc(c1)[*:1] CC(C)n1nccc1NC(=O)C[NH2+]C[C@@H]1CCCN1[*:1]
CCCNC(=O)CN1CCO[C@H](C(N)=S)C1 CCC[*:1] NC(=S)[C@@H]1CN(CCO1)CC(=O)N[*:1]
CCCNC(=O)CN1CCO[C@H](C(N)=S)C1 NC(=S)[*:1] CCCNC(=O)CN1CCO[C@H](C1)[*:1]
CNC(=O)c1ccc(NCc2nc(-c3cccs3)no2)cc1Cl CNC(=O)[*:1] Clc1cc(ccc1[*:1])NCc1nc(no1)-c1cccs1
CNC(=O)c1ccc(NCc2nc(-c3cccs3)no2)cc1Cl c1csc(c1)[*:1] CNC(=O)c1ccc(cc1Cl)NCc1nc(no1)[*:1]
COC(=O)[C@@H]1C(=O)c2c([nH]c(C(=O)OC[C@H]3CCCO3)c2C)C[C@@H]1C C1CO[C@H](C1)[*:1] COC(=O)[C@@H]1C(=O)c2c(C[C@@H]1C)[nH]c(C(=O)OC[*:1])c2C
COC(=O)[C@@H]1C(=O)c2c([nH]c(C(=O)OC[C@H]3CCCO3)c2C)C[C@@H]1C C1CO[C@H](C1)C[*:1] COC(=O)[C@@H]1C(=O)c2c(C[C@@H]1C)[nH]c(C(=O)O[*:1])c2C
COC(=O)[C@@H]1C(=O)c2c([nH]c(C(=O)OC[C@H]3CCCO3)c2C)C[C@@H]1C COC(=O)[*:1] Cc1c([nH]c2C[C@H](C)[C@@H](C(=O)c21)[*:1])C(=O)OC[C@H]1CCCO1
Cc1cc(C(=O)NC[C@@](C)(O)c2cnn(C)c2)c(C)n1Cc1cccs1 c1csc(c1)[*:1] Cc1cc(C(=O)NC[C@@](C)(O)c2cnn(C)c2)c(C)n1C[*:1]
Cc1cc(C(=O)NC[C@@](C)(O)c2cnn(C)c2)c(C)n1Cc1cccs1 c1csc(c1)C[*:1] Cc1cc(C(=O)NC[C@@](C)(O)c2cnn(C)c2)c(C)n1[*:1]
Cc1cc(C(=O)NC[C@@](C)(O)c2cnn(C)c2)c(C)n1Cc1cccs1 Cn1cc(cn1)[*:1] Cc1cc(C(=O)NC[C@@](C)(O)[*:1])c(C)n1Cc1cccs1
COc1ccc([C@@H](C)NC(=O)N(C)[C@H](C)c2ccccc2)cc1OC C[C@H](c1ccccc1)[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)N(C)[*:1]
COc1ccc([C@@H](C)NC(=O)N(C)[C@H](C)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)N(C)[C@H](C)[*:1]
N#Cc1csc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1 N#Cc1csc(c1)[*:1] O=C(Nc1ccc(cc1)-n1cnc2ccccc21)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1scnc1C Cc1ncsc1[*:1] COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)[*:1]
CCCn1nc(C(C)(C)C)c(I)c1N CCC[*:1] CC(C)(C)c1nn(c(N)c1I)[*:1]
CCCn1nc(C(C)(C)C)c(I)c1N CC(C)(C)[*:1] CCCn1nc(c(I)c1N)[*:1]
COc1ccc(OC)c2c1CN(C(=O)Nc1cccnc1-n1cccn1)C[C@@H]2O c1cnn(c1)[*:1] COc1ccc(OC)c2c1CN(C[C@@H]2O)C(=O)Nc1cccnc1[*:1]
O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 C1CC1[*:1] O=S(=O)(N1CCC(CC1)[NH2+]Cc1cccc(Cl)c1Cl)[*:1]
CCn1nc(C(C)C)cc1C(=O)N1CCN(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] CCn1nc(cc1C(=O)N1CCN(CC1)[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)N1CCN(c2ccc(O)cc2)CC1 CC(C)[*:1] CCn1nc(cc1C(=O)N1CCN(CC1)c1ccc(O)cc1)[*:1]
CC(C)CCn1c(S[C@H](C)C(=O)NC2CC2)nc2sc3c(c2c1=O)CCCC3 O=C(NC1CC1)[*:1] CC(C)CCn1c(nc2sc3CCCCc3c2c1=O)S[C@H](C)[*:1]
CC(C)CCn1c(S[C@H](C)C(=O)NC2CC2)nc2sc3c(c2c1=O)CCCC3 C[C@H](C(=O)NC1CC1)[*:1] CC(C)CCn1c(nc2sc3CCCCc3c2c1=O)S[*:1]
CC(C)CCn1c(S[C@H](C)C(=O)NC2CC2)nc2sc3c(c2c1=O)CCCC3 CC(C)C[*:1] C[C@@H](Sc1nc2sc3CCCCc3c2c(=O)n1C[*:1])C(=O)NC1CC1
CC(C)CCn1c(S[C@H](C)C(=O)NC2CC2)nc2sc3c(c2c1=O)CCCC3 CC(C)CC[*:1] C[C@@H](Sc1nc2sc3CCCCc3c2c(=O)n1[*:1])C(=O)NC1CC1
CC(C)CCn1c(S[C@H](C)C(=O)NC2CC2)nc2sc3c(c2c1=O)CCCC3 C[C@@H](S[*:1])C(=O)NC1CC1 CC(C)CCn1c(nc2sc3CCCCc3c2c1=O)[*:1]
CC(C)CCn1c(S[C@H](C)C(=O)NC2CC2)nc2sc3c(c2c1=O)CCCC3 C1CC1[*:1] CC(C)CCn1c(nc2sc3CCCCc3c2c1=O)S[C@H](C)C(=O)N[*:1]
CC(C)CCn1c(S[C@H](C)C(=O)NC2CC2)nc2sc3c(c2c1=O)CCCC3 CC(C)[*:1] C[C@@H](Sc1nc2sc3CCCCc3c2c(=O)n1CC[*:1])C(=O)NC1CC1
Cc1cc(CN(C)C(=O)c2ccc(SCc3ccccc3)cc2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)SCc1ccccc1
Cc1cc(CN(C)C(=O)c2ccc(SCc3ccccc3)cc2)no1 Cc1cc(C[*:1])no1 CN(C(=O)c1ccc(cc1)SCc1ccccc1)[*:1]
Cc1cc(CN(C)C(=O)c2ccc(SCc3ccccc3)cc2)no1 c1ccc(cc1)CS[*:1] Cc1cc(CN(C)C(=O)c2ccc(cc2)[*:1])no1
Cc1cc(CN(C)C(=O)c2ccc(SCc3ccccc3)cc2)no1 c1ccc(cc1)C[*:1] Cc1cc(CN(C)C(=O)c2ccc(cc2)S[*:1])no1
Cc1cc(CN(C)C(=O)c2ccc(SCc3ccccc3)cc2)no1 c1ccc(cc1)[*:1] Cc1cc(CN(C)C(=O)c2ccc(cc2)SC[*:1])no1
C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cnn(c1)[*:1]
COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2F)c(OC)c1 Fc1ccccc1[*:1] COc1ccc(NC(=O)[C@@H](C)O[*:1])c(c1)OC
O=C(Nc1ccccc1N1CCCC1=O)c1ccc(N2CCOCC2)nc1 O=C1CCCN1[*:1] O=C(Nc1ccccc1[*:1])c1ccc(nc1)N1CCOCC1
O=C(Nc1ccccc1N1CCCC1=O)c1ccc(N2CCOCC2)nc1 C1CN(CCO1)[*:1] O=C(Nc1ccccc1N1CCCC1=O)c1ccc(nc1)[*:1]
Cc1nnsc1C(=O)N1CCC(CNC(=O)Cc2ccccc2Cl)CC1 Clc1ccccc1C[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)[*:1]
Cc1nnsc1C(=O)N1CCC(CNC(=O)Cc2ccccc2Cl)CC1 Clc1ccccc1[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)C[*:1]
Cc1nnsc1C(=O)N1CCC(CNC(=O)Cc2ccccc2Cl)CC1 Cc1nnsc1[*:1] O=C(Cc1ccccc1Cl)NCC1CCN(CC1)C(=O)[*:1]
CO[C@H](C)[C@H](O)Cc1cc(F)ccc1F CO[C@H](C)[*:1] O[C@H](Cc1cc(F)ccc1F)[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCc1cccnc1 Clc1ccc(cc1)[*:1] C[C@@H]([C@@H](C)N(C)C(=O)NCc1cccnc1)[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCc1cccnc1 c1cncc(c1)[*:1] C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NC[*:1]
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCc1cccnc1 c1cncc(c1)C[*:1] C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)N[*:1]
CC(C)CCn1c(SCCCO)nc2ccccc2c1=O CC(C)C[*:1] O=c1c2ccccc2nc(SCCCO)n1C[*:1]
CC(C)CCn1c(SCCCO)nc2ccccc2c1=O CC(C)CC[*:1] O=c1c2ccccc2nc(SCCCO)n1[*:1]
CC(C)CCn1c(SCCCO)nc2ccccc2c1=O OCCC[*:1] CC(C)CCn1c(nc2ccccc2c1=O)S[*:1]
CC(C)CCn1c(SCCCO)nc2ccccc2c1=O CC(C)[*:1] O=c1c2ccccc2nc(SCCCO)n1CC[*:1]
CC(C)CCn1c(SCCCO)nc2ccccc2c1=O OCCCS[*:1] CC(C)CCn1c(nc2ccccc2c1=O)[*:1]
CC(C)CCn1c(SCCCO)nc2ccccc2c1=O OCC[*:1] CC(C)CCn1c(nc2ccccc2c1=O)SC[*:1]
O=C(Nc1ccccn1)c1cc(C2CC2)nc2ccccc12 C1CC1[*:1] O=C(Nc1ccccn1)c1cc(nc2ccccc12)[*:1]
O=C(Nc1ccccn1)c1cc(C2CC2)nc2ccccc12 c1ccc(nc1)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)C1CC1
COc1cccc([C@H](C)NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)c1 COc1cccc(c1)[*:1] Cc1ccc(F)cc1-n1ccn(CC(=O)N[C@@H](C)[*:1])c(=O)c1=O
COc1cccc([C@H](C)NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)c1 COc1cccc(c1)[C@H](C)[*:1] Cc1ccc(F)cc1-n1ccn(CC(=O)N[*:1])c(=O)c1=O
COc1cccc([C@H](C)NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)c1 Cc1ccc(F)cc1[*:1] COc1cccc(c1)[C@H](C)NC(=O)Cn1ccn(c(=O)c1=O)[*:1]
N#CCc1ccc(NC(=O)N2CCCC[C@@H]2CO)cc1 N#CC[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCCC[C@@H]1CO
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN2C(=O)O[*:1]
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] CC(C)(C)OC(=O)N1CCc2cc(ccc21)[*:1]
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(C)OC(=O)N1CCc2cc(ccc21)NC(=O)O[*:1]
C[NH+](C)CCN(C(=O)CSc1ccc(Cl)cc1)c1nc2c(F)cc(F)cc2s1 Clc1ccc(cc1)SC[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2c(F)cc(F)cc2s1
C[NH+](C)CCN(C(=O)CSc1ccc(Cl)cc1)c1nc2c(F)cc(F)cc2s1 Clc1ccc(cc1)[*:1] C[NH+](C)CCN(C(=O)CS[*:1])c1nc2c(F)cc(F)cc2s1
C[NH+](C)CCN(C(=O)CSc1ccc(Cl)cc1)c1nc2c(F)cc(F)cc2s1 Clc1ccc(cc1)S[*:1] C[NH+](C)CCN(C(=O)C[*:1])c1nc2c(F)cc(F)cc2s1
COC[C@@](C)(NC(=O)/C=C/c1c(Cl)nc2ccccn12)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@](C)(NC(=O)/C=C/c1c(Cl)nc2ccccn12)[*:1]
COC[C@@](C)(NC(=O)/C=C/c1c(Cl)nc2ccccn12)c1ccccc1 COC[*:1] C[C@@](NC(=O)/C=C/c1c(Cl)nc2ccccn12)(c1ccccc1)[*:1]
CC[C@@H]([NH2+]Cc1cc2ccccc2s1)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H]([NH2+]Cc1cc2ccccc2s1)[*:1]
Cc1ccccc1C(=O)NCCC(=O)N1CC[C@@H](Nc2ccccc2)C1 Cc1ccccc1[*:1] O=C(CCNC(=O)[*:1])N1CC[C@H](C1)Nc1ccccc1
Cc1ccccc1C(=O)NCCC(=O)N1CC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] Cc1ccccc1C(=O)NCCC(=O)N1CC[C@@H](C1)[*:1]
Cc1ccccc1C(=O)NCCC(=O)N1CC[C@@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)NCCC(=O)N1CC[C@H](C1)N[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)c2cc3ccccc3oc2=O)c1 FC(F)O[*:1] N#Cc1ccc(c(c1)NC(=O)c1cc2ccccc2oc1=O)[*:1]
N#Cc1ccc(OC(F)F)c(NC(=O)c2cc3ccccc3oc2=O)c1 FC(F)[*:1] N#Cc1ccc(O[*:1])c(c1)NC(=O)c1cc2ccccc2oc1=O
COc1ccc(Cl)c2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)oc3C)nc12 Cc1cc(c(C)o1)[*:1] COc1ccc(Cl)c2sc(nc12)N(CCCN1CCOCC1)C(=O)[*:1]
COc1ccc(Cl)c2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)oc3C)nc12 C1CN(CCO1)C[*:1] COc1ccc(Cl)c2sc(nc12)N(CC[*:1])C(=O)c1cc(C)oc1C
COc1ccc(Cl)c2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)oc3C)nc12 C1CN(CCO1)[*:1] COc1ccc(Cl)c2sc(nc12)N(CCC[*:1])C(=O)c1cc(C)oc1C
COc1ccc(Cl)c2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)oc3C)nc12 C(CN1CCOCC1)C[*:1] COc1ccc(Cl)c2sc(nc12)N(C(=O)c1cc(C)oc1C)[*:1]
COc1ccc(Cl)c2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)oc3C)nc12 C1CN(CCO1)CC[*:1] COc1ccc(Cl)c2sc(nc12)N(C[*:1])C(=O)c1cc(C)oc1C
CCOC(=O)c1ccc(NC(=O)CSc2ncnc3c2[nH]c2ccccc23)cc1 CCOC(=O)[*:1] O=C(CSc1ncnc2c1[nH]c1ccccc12)Nc1ccc(cc1)[*:1]
N#CCCN(C(=O)COC(=O)C1CCCCC1)c1ccc2c(c1)OCCO2 N#CC[*:1] O=C(OCC(=O)N(C[*:1])c1ccc2OCCOc2c1)C1CCCCC1
N#CCCN(C(=O)COC(=O)C1CCCCC1)c1ccc2c(c1)OCCO2 C1CCC(CC1)[*:1] N#CCCN(C(=O)COC(=O)[*:1])c1ccc2OCCOc2c1
N#CCCN(C(=O)COC(=O)C1CCCCC1)c1ccc2c(c1)OCCO2 N#CCC[*:1] O=C(OCC(=O)N(c1ccc2OCCOc2c1)[*:1])C1CCCCC1
N#CCCN(C(=O)COC(=O)C1CCCCC1)c1ccc2c(c1)OCCO2 O=C(O[*:1])C1CCCCC1 N#CCCN(C(=O)C[*:1])c1ccc2OCCOc2c1
CC(C)N1CC[C@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2)C1=O CC(C)[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])N[C@H](CO)c1ccc(Cl)cc1
CC(C)N1CC[C@H](NC(=O)N[C@H](CO)c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CC(C)N1CC[C@H](NC(=O)N[C@H](CO)[*:1])C1=O
COC[C@H](C)NC(=O)C1CCN(c2nc3ccc(OC)cc3s2)CC1 COC[*:1] COc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)C1CCN(c2nc3ccc(OC)cc3s2)CC1 COC[C@H](C)NC(=O)[*:1] COc1ccc2nc(sc2c1)N1CCC(CC1)[*:1]
CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 c1cc2CCCCc2cc1[*:1] CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(CC2)S(=O)(=O)[*:1])C1
CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 CC(C)[*:1] O=C(NC[C@H]1CN(CCO1)C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1
CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 CC(C)C[*:1] O=C(NC[C@H]1CN(CCO1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1
C=CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccnc1 C=CCOC(=O)[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@H](C=1[*:1])c1cccnc1
C=CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccnc1 c1cncc(c1)[*:1] C=CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1[*:1]
C=CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccnc1 C=CC[*:1] CC1Nc2c(c(=O)n(C)c(=O)n2C)[C@H](C=1C(=O)O[*:1])c1cccnc1
C[C@@H](c1ccccn1)[C@@H](O)c1ccc2c(c1)CCO2 c1ccc(nc1)[*:1] C[C@@H]([C@@H](O)c1ccc2OCCc2c1)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)NCCC(=O)N1CCCC1 CC(C)C[*:1] [NH3+]C[C@H](C(=O)NCCC(=O)N1CCCC1)[*:1]
CC(C)C[C@H](C[NH3+])C(=O)NCCC(=O)N1CCCC1 CC(C)[*:1] [NH3+]C[C@@H](C[*:1])C(=O)NCCC(=O)N1CCCC1
CC(C)(C)c1csc(C[C@]2([NH3+])CCCOCC2)n1 CC(C)(C)[*:1] [NH3+][C@]1(CCCOCC1)Cc1nc(cs1)[*:1]
COc1ccccc1-c1nnc(NC(=O)CCSc2ccc(C)cc2)o1 COc1ccccc1[*:1] Cc1ccc(cc1)SCCC(=O)Nc1nnc(o1)[*:1]
COc1ccccc1-c1nnc(NC(=O)CCSc2ccc(C)cc2)o1 Cc1ccc(cc1)[*:1] COc1ccccc1-c1nnc(NC(=O)CCS[*:1])o1
COc1ccccc1-c1nnc(NC(=O)CCSc2ccc(C)cc2)o1 Cc1ccc(cc1)S[*:1] COc1ccccc1-c1nnc(NC(=O)CC[*:1])o1
C[C@@H](O)CN(C)C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 C[C@@H](O)[*:1] CN(C[*:1])C(=O)N[C@H]1C=C[C@H](C1)C(=O)[O-]
C[C@@H](O)CN(C)C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 C[C@@H](O)C[*:1] CN(C(=O)N[C@H]1C=C[C@H](C1)C(=O)[O-])[*:1]
C[C@@H](O)CN(C)C(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H](O)CN(C)C(=O)N[C@H]1C=C[C@@H](C1)[*:1]
CCOc1ccc(C2=C[C@@H]3C(=O)N=N[C@H](SCc4cc(=O)n5ccccc5n4)N3N2)cc1 CCO[*:1] O=C1N=N[C@H](SCc2cc(=O)n3ccccc3n2)N2NC(=C[C@H]12)c1ccc(cc1)[*:1]
CCOc1ccc(C2=C[C@@H]3C(=O)N=N[C@H](SCc4cc(=O)n5ccccc5n4)N3N2)cc1 CCOc1ccc(cc1)[*:1] O=C1N=N[C@H](SCc2cc(=O)n3ccccc3n2)N2NC(=C[C@H]12)[*:1]
C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1 C[C@H](NC(N)=O)[*:1] CC(C)(C)c1csc(n1)[C@@H]1CCCCN1C(=O)[*:1]
C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1 NC(=O)N[*:1] C[C@H](C(=O)N1CCCC[C@H]1c1nc(cs1)C(C)(C)C)[*:1]
C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1c1nc(cs1)[*:1]
CCNC(=O)c1ccc(-c2ccnc3c2ccn3C)o1 CCNC(=O)[*:1] Cn1ccc2c(ccnc21)-c1ccc(o1)[*:1]
C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(c1)[*:1]
CCCc1cc(NC(=O)N(C)[C@@H](CO)C(C)(C)C)n(C)n1 CC(C)(C)[*:1] CCCc1cc(NC(=O)N(C)[C@@H](CO)[*:1])n(C)n1
CCCc1cc(NC(=O)N(C)[C@@H](CO)C(C)(C)C)n(C)n1 CCC[*:1] CN(C(=O)Nc1cc(nn1C)[*:1])[C@@H](CO)C(C)(C)C
Cc1ccc(OC[C@@H](O)CSc2nc(-c3ccncc3)n[nH]2)cc1 Cc1ccc(cc1)[*:1] O[C@H](CO[*:1])CSc1nc(n[nH]1)-c1ccncc1
Cc1ccc(OC[C@@H](O)CSc2nc(-c3ccncc3)n[nH]2)cc1 Cc1ccc(cc1)O[*:1] O[C@@H](CSc1nc(n[nH]1)-c1ccncc1)C[*:1]
Cc1ccc(OC[C@@H](O)CSc2nc(-c3ccncc3)n[nH]2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)OC[C@@H](O)CSc1nc(n[nH]1)[*:1]
C[C@H]1CC(C(=O)N2CCC(Cc3ccccc3)CC2)C[C@H](C)O1 c1ccc(cc1)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC(CC1)[*:1]
C[C@H]1CC(C(=O)N2CCC(Cc3ccccc3)CC2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCC(CC1)C[*:1]
C[C@H](Cl)C(=O)NC(=O)NCC1CCC1 C[C@H](Cl)[*:1] O=C(NCC1CCC1)NC(=O)[*:1]
C[C@H](Cl)C(=O)NC(=O)NCC1CCC1 C1CC(C1)[*:1] C[C@H](Cl)C(=O)NC(=O)NC[*:1]
CCc1ccccc1NC(=O)CCn1cc[nH+]c1C(C)C CC(C)[*:1] CCc1ccccc1NC(=O)CCn1cc[nH+]c1[*:1]
O=C([O-])c1nccnc1C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 O=C([O-])[*:1] O=C(Nc1ccc(c(Cl)c1)-n1cncn1)c1nccnc1[*:1]
O=C([O-])c1nccnc1C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 c1ncn(n1)[*:1] O=C([O-])c1nccnc1C(=O)Nc1ccc(c(Cl)c1)[*:1]
COc1ccc(C#N)cc1CSCc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] COc1ccc(C#N)cc1CSCc1ncn(n1)[*:1]
CC(C)(C)n1ccc(NC(=O)c2cc(=O)[nH]c3cc(F)ccc23)n1 CC(C)(C)[*:1] O=C(Nc1ccn(n1)[*:1])c1cc(=O)[nH]c2cc(F)ccc12
FC(F)(F)c1nc(-c2ccncc2)ncc1-c1nnnn1-c1ccc(Cl)cc1 c1cc(ccn1)[*:1] FC(F)(F)c1nc(ncc1-c1nnnn1-c1ccc(Cl)cc1)[*:1]
FC(F)(F)c1nc(-c2ccncc2)ncc1-c1nnnn1-c1ccc(Cl)cc1 FC(F)(F)[*:1] Clc1ccc(cc1)-n1nnnc1-c1cnc(nc1[*:1])-c1ccncc1
FC(F)(F)c1nc(-c2ccncc2)ncc1-c1nnnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] FC(F)(F)c1nc(ncc1-c1nnnn1[*:1])-c1ccncc1
CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2F)c1 CC(C)NS(=O)(=O)[*:1] O=C(Nc1ccc(Br)cc1F)c1cc(ccc1Cl)[*:1]
CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2F)c1 Fc1cc(Br)ccc1[*:1] CC(C)NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2F)c1 CC(C)[*:1] O=C(Nc1ccc(Br)cc1F)c1cc(ccc1Cl)S(=O)(=O)N[*:1]
CN(/C([O-])=N/c1ncnn1C)[C@@H]1CCCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(/C([O-])=N/c1ncnn1C)[C@@H]1CCCN(C1=O)[*:1]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 c1ccc(cc1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N[*:1])c1cccc(c1)[N+](=O)[O-]
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 O=[N+]([O-])[*:1] CC1NC(=S)N[C@@H](C=1C(=O)Nc1ccccc1)c1cccc(c1)[*:1]
O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1cccc(F)c1 C1CN(CCO1)C[*:1] O=C(Nc1cccc(Cl)c1)N(CC[*:1])Cc1cccc(F)c1
O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1cccc(F)c1 C1CN(CCO1)[*:1] O=C(Nc1cccc(Cl)c1)N(CCC[*:1])Cc1cccc(F)c1
O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1cccc(F)c1 C(CN1CCOCC1)C[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1cccc(F)c1)[*:1]
O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)C[*:1]
O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1cccc(F)c1 Clc1cccc(c1)[*:1] O=C(N[*:1])N(CCCN1CCOCC1)Cc1cccc(F)c1
O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1cccc(F)c1 C1CN(CCO1)CC[*:1] O=C(Nc1cccc(Cl)c1)N(Cc1cccc(F)c1)C[*:1]
O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)[*:1]
CCc1ccc(S(=O)(=O)N2CCC(Oc3nc4c(Cl)cccc4s3)CC2)cc1 CCc1ccc(cc1)[*:1] O=S(=O)(N1CCC(CC1)Oc1nc2c(Cl)cccc2s1)[*:1]
C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ncccc1Cl Clc1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)c1ncccc1Cl
C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ncccc1Cl Clc1cccnc1[*:1] C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)[*:1]
Cc1nc(-c2cccc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)c2)cs1 Cc1nc(cs1)[*:1] C[C@@H]1CN(CCCNC(=O)c2cccc(c2)[*:1])C[C@@H](C)O1
Cc1cc(CO/N=C(/N)c2cc3ccccc3o2)on1 Cc1cc(on1)[*:1] N/C(=N/OC[*:1])c1cc2ccccc2o1
CC(C)CNC(=O)C(=O)Nc1ccc(CC(=O)NC(C)C)cc1 CC(C)[*:1] CC(C)CNC(=O)C(=O)Nc1ccc(cc1)CC(=O)N[*:1]
CC(C)CNC(=O)C(=O)Nc1ccc(CC(=O)NC(C)C)cc1 CC(C)C[*:1] CC(C)NC(=O)Cc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC(C)CNC(=O)C(=O)Nc1ccc(CC(=O)NC(C)C)cc1 CC(C)NC(=O)C[*:1] CC(C)CNC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)CNC(=O)C(=O)Nc1ccc(CC(=O)NC(C)C)cc1 CC(C)[*:1] CC(C)NC(=O)Cc1ccc(cc1)NC(=O)C(=O)NC[*:1]
CC(C)CNC(=O)C(=O)Nc1ccc(CC(=O)NC(C)C)cc1 CC(C)NC(=O)[*:1] CC(C)CNC(=O)C(=O)Nc1ccc(cc1)C[*:1]
C[C@@H]1CCN(C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@@H]1O CC(C)(C)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)Nc1nn(cc1C#N)[*:1]
CC(C)N1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccc([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] CC(C)N1C(=O)c2[nH]nc(c2[C@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
CC(C)N1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)N1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccc(c1)[*:1]
CC(C)N1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC(C)N1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1[*:1]
CC(C)N1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccc([N+](=O)[O-])c1 CC(C)[*:1] O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H](c2cccc(c2)[N+](=O)[O-])N1[*:1]
COCCC1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 O=[N+]([O-])[*:1] COCCC1(CC1)CNC(=O)Nc1ccc(c(Cl)c1)[*:1]
COCCC1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 COCC[*:1] O=C(NCC1(CC1)[*:1])Nc1ccc(c(Cl)c1)[N+](=O)[O-]
COCCC1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 COC[*:1] O=C(NCC1(CC1)C[*:1])Nc1ccc(c(Cl)c1)[N+](=O)[O-]
COCCC1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 COCCC1(CC1)[*:1] O=C(NC[*:1])Nc1ccc(c(Cl)c1)[N+](=O)[O-]
CC1(C)CC(=O)c2sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc2C1 O=[N+]([O-])[*:1] CC1(C)CC(=O)c2sc(nc2C1)NC(=O)c1cc2cc(ccc2s1)[*:1]
CC(=O)Nc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)NC1CCN(CC1)c1cccc[nH+]1
CC(C)(C)OC(=O)NNc1ncc(Br)cn1 CC(C)(C)[*:1] O=C(NNc1ncc(Br)cn1)O[*:1]
CC(C)OCc1ccccc1C#N CC(C)[*:1] N#Cc1ccccc1CO[*:1]
CC(C)OCc1ccccc1C#N CC(C)O[*:1] N#Cc1ccccc1C[*:1]
CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN(Cc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)C[*:1] CC[C@@H]1Oc2ccc(cc2CN(C1=O)[*:1])NC(=O)c1ccccc1F
CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN(Cc2ccc(Cl)cc2)C1=O Fc1ccccc1[*:1] CC[C@@H]1Oc2ccc(cc2CN(Cc2ccc(Cl)cc2)C1=O)NC(=O)[*:1]
CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN(Cc2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] CC[C@@H]1Oc2ccc(cc2CN(C[*:1])C1=O)NC(=O)c1ccccc1F
CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN(Cc2ccc(Cl)cc2)C1=O O=C(N[*:1])c1ccccc1F CC[C@@H]1Oc2ccc(cc2CN(Cc2ccc(Cl)cc2)C1=O)[*:1]
COc1cc(C)sc1C(=O)NCCOc1ccccc1C Cc1ccccc1[*:1] COc1cc(C)sc1C(=O)NCCO[*:1]
COc1cccc(C[NH+](C)CC(=O)N(C(C)C)C(C)C)c1 CC(C)[*:1] COc1cccc(c1)C[NH+](C)CC(=O)N(C(C)C)[*:1]
CCCCN1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(=O)CC CCCC[*:1] CCC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(c1ccccc12)[*:1]
CCCCN1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(=O)CC CCC[*:1] CCC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(C[*:1])c1ccccc12
C[C@@H](OCC(F)(F)F)C(=O)[O-] O=C([O-])[*:1] C[C@@H](OCC(F)(F)F)[*:1]
CCOc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)cc1 CCO[*:1] CN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)cc1 CCOc1ccc(cc1)[*:1] CN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)N[*:1]
CCOc1ccc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 CCOc1ccc(cc1)[*:1] O=C(NC[C@H]1CCCN1S(=O)(=O)c1ccccc1)[*:1]
CCOc1ccc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 CCO[*:1] O=C(NC[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)C(=O)NC[C@H]1CCCN1S(=O)(=O)[*:1]
O=C(Nc1ccc2[nH]c(CN3CCOCC3)nc2c1)[C@@H](O)c1ccccc1 C1CN(CCO1)[*:1] O=C(Nc1ccc2[nH]c(C[*:1])nc2c1)[C@@H](O)c1ccccc1
O=C(Nc1ccc2[nH]c(CN3CCOCC3)nc2c1)[C@@H](O)c1ccccc1 C1CN(CCO1)C[*:1] O=C(Nc1ccc2[nH]c(nc2c1)[*:1])[C@@H](O)c1ccccc1
O=C(Nc1ccc2[nH]c(CN3CCOCC3)nc2c1)[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] O=C(Nc1ccc2[nH]c(CN3CCOCC3)nc2c1)[*:1]
O=C(Nc1ccc2[nH]c(CN3CCOCC3)nc2c1)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2[nH]c(CN3CCOCC3)nc2c1)[C@@H](O)[*:1]
COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc3c(c1)OC(F)(F)O3)CC2 c1csc(c1)[*:1] COc1cc2CCN(CC(=O)Nc3ccc4OC(F)(F)Oc4c3)[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc3c(c1)OC(F)(F)O3)CC2 FC1(F)Oc2ccc(cc2O1)[*:1] COc1cc2CCN(CC(=O)N[*:1])[C@@H](c3cccs3)c2cc1OC
CC(C)(C)[C@H]1CC[C@H](C[NH3+])[C@H]([NH+]2CCCC2)C1 CC(C)(C)[*:1] [NH3+]C[C@H]1CC[C@@H](C[C@H]1[NH+]1CCCC1)[*:1]
Cc1cc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)N(C)Cc2ccc3OCCOc3c2)c(C)n1[*:1]
Cc1nc(-c2ccc(CNc3ccc(C#N)cn3)o2)cs1 Cc1nc(cs1)[*:1] N#Cc1ccc(nc1)NCc1ccc(o1)[*:1]
C[C@@H](c1ccco1)N(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](c1ccco1)N(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)[*:1]
C[C@@H](c1ccco1)N(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccccn1 c1coc(c1)[*:1] C[C@@H](N(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1ccccn1)[*:1]
CNC(=O)CCc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 CNC(=O)CC[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
CNC(=O)CCc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CNC(=O)CCc1ccc(cc1)NC(=S)NC(=O)[*:1]
CNC(=O)CCc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 CNC(=O)C[*:1] O=C(NC(=S)Nc1ccc(cc1)C[*:1])c1ccc(Cl)cc1
CNC(=O)CCc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 CNC(=O)[*:1] O=C(NC(=S)Nc1ccc(cc1)CC[*:1])c1ccc(Cl)cc1
Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(C)c(C)ccc3s2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2sc(nc2c1C)NC(=O)CCCS(=O)(=O)[*:1]
COCCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2cc(Cl)ccc2c1=O COC[*:1] O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C[*:1])Nc1ccc2CCCc2c1
COCCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2cc(Cl)ccc2c1=O c1cc2CCCc2cc1[*:1] COCCn1c(nc2cc(Cl)ccc2c1=O)SCC(=O)N[*:1]
COCCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2cc(Cl)ccc2c1=O COCC[*:1] O=C(CSc1nc2cc(Cl)ccc2c(=O)n1[*:1])Nc1ccc2CCCc2c1
C1=C[C@@H](c2ccc(CN(Cc3ccccc3)C[C@@H]3N=CCS3)o2)N=N1 c1ccc(cc1)C[*:1] C1=C[C@H](N=N1)c1ccc(CN(C[C@@H]2N=CCS2)[*:1])o1
C1=C[C@@H](c2ccc(CN(Cc3ccccc3)C[C@@H]3N=CCS3)o2)N=N1 c1ccc(cc1)[*:1] C1=C[C@H](N=N1)c1ccc(CN(C[C@@H]2N=CCS2)C[*:1])o1
Clc1ccccc1-c1noc(OCc2cccnc2)n1 c1cncc(c1)[*:1] Clc1ccccc1-c1noc(n1)OC[*:1]
COc1ccc(CNCCc2nc(C)cs2)cc1O Cc1csc(n1)[*:1] COc1ccc(cc1O)CNCC[*:1]
CC(/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)=C\c1ccccc1 c1ccc(cc1)[*:1] CC(/C=N/NC(=O)c1cc([nH]n1)-c1ccc(Cl)cc1)=C[*:1]
CC(/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)=C\c1ccccc1 Clc1ccc(cc1)[*:1] CC(/C=N/NC(=O)c1cc([nH]n1)[*:1])=C\c1ccccc1
Cn1ccc(C(=O)N/N=C/c2cccs2)n1 c1csc(c1)[*:1] Cn1ccc(n1)C(=O)NN=C[*:1]
COc1ccc(C)cc1[C@H](C)NC(=O)C(=O)Nc1ccc2oc(C)nc2c1 COc1ccc(C)cc1[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@@H](C)[*:1]
C=C(Br)CN(CCCCO)C1CC1 C=C(Br)[*:1] OCCCCN(C[*:1])C1CC1
C=C(Br)CN(CCCCO)C1CC1 OCCC[*:1] C=C(Br)CN(C[*:1])C1CC1
C=C(Br)CN(CCCCO)C1CC1 OCC[*:1] C=C(Br)CN(CC[*:1])C1CC1
C=C(Br)CN(CCCCO)C1CC1 C=C(Br)C[*:1] OCCCCN(C1CC1)[*:1]
C=C(Br)CN(CCCCO)C1CC1 C1CC1[*:1] C=C(Br)CN(CCCCO)[*:1]
CC1(C)CCC[C@@H]1NS(=O)(=O)c1ccccc1C(N)=S NC(=S)[*:1] CC1(C)CCC[C@@H]1NS(=O)(=O)c1ccccc1[*:1]
COc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)C(=O)Nc1ccc2c(c1)nc1CN(CCn12)[*:1]
COc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc2c(c1)nc1CN(CCn12)C1CCCCC1)[*:1]
Cc1nc(N[C@H](C)Cn2cncn2)c2c(-c3ccccc3)csc2n1 c1ccc(cc1)[*:1] Cc1nc(N[C@H](C)Cn2cncn2)c2c(csc2n1)[*:1]
Cc1nc(N[C@H](C)Cn2cncn2)c2c(-c3ccccc3)csc2n1 c1ncn(C[*:1])n1 Cc1nc(N[C@H](C)[*:1])c2c(csc2n1)-c1ccccc1
Cc1nc(N[C@H](C)Cn2cncn2)c2c(-c3ccccc3)csc2n1 c1ncn(n1)[*:1] Cc1nc(N[C@H](C)C[*:1])c2c(csc2n1)-c1ccccc1
CCCCCn1nc(C(=O)N(C)c2ccccc2)c2ccccc2c1=O CCCCC[*:1] CN(C(=O)c1nn(c(=O)c2ccccc12)[*:1])c1ccccc1
CCCCCn1nc(C(=O)N(C)c2ccccc2)c2ccccc2c1=O CCCC[*:1] CN(C(=O)c1nn(C[*:1])c(=O)c2ccccc12)c1ccccc1
CCCCCn1nc(C(=O)N(C)c2ccccc2)c2ccccc2c1=O CCC[*:1] CN(C(=O)c1nn(CC[*:1])c(=O)c2ccccc12)c1ccccc1
CCCCCn1nc(C(=O)N(C)c2ccccc2)c2ccccc2c1=O c1ccc(cc1)[*:1] CCCCCn1nc(C(=O)N(C)[*:1])c2ccccc2c1=O
CC(=O)[C@H](C)OC(=O)c1c(C)nc2ccccc2c1C CC(=O)[*:1] Cc1nc2ccccc2c(C)c1C(=O)O[C@@H](C)[*:1]
CC(=O)[C@H](C)OC(=O)c1c(C)nc2ccccc2c1C CC(=O)[C@H](C)[*:1] Cc1nc2ccccc2c(C)c1C(=O)O[*:1]
CC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 Cc1cc(no1)[*:1] CC[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)S(=O)(=O)N1C[C@H](C)O[C@H](C)C1
CC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 Cc1cc(no1)NC(=O)[*:1] CC[C@H]([NH+]1CCN(CC1)S(=O)(=O)N1C[C@H](C)O[C@H](C)C1)[*:1]
O=C1c2cccn2C[C@H]1[C@H](O)c1cc[n+](Cc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] O=C1c2cccn2C[C@H]1[C@H](O)c1cc[n+](cc1)C[*:1]
O=C1c2cccn2C[C@H]1[C@H](O)c1cc[n+](Cc2ccc(Br)cc2)cc1 Brc1ccc(cc1)C[*:1] O=C1c2cccn2C[C@H]1[C@H](O)c1cc[n+](cc1)[*:1]
CCCc1cc(=O)[nH]c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)n1 c1ccc2sc(nc2c1)[*:1] CCCc1cc(=O)[nH]c(n1)SCC(=O)N(C)[C@@H](C)[*:1]
CCCc1cc(=O)[nH]c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)n1 CCC[*:1] C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc(cc(=O)[nH]1)[*:1]
C#Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)c1 C1CC1[*:1] C#Cc1cccc(c1)NC(=O)c1cc(nc2c1c(=O)[nH]n2C)[*:1]
C#Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)c1 C#Cc1cccc(c1)[*:1] Cn1[nH]c(=O)c2c(cc(nc21)C1CC1)C(=O)N[*:1]
O=C(c1ccc(-n2ccnc2)nc1)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1ccc(nc1)-n1ccnc1)N1CCCC[C@H]1C[*:1]
O=C(c1ccc(-n2ccnc2)nc1)N1CCCC[C@H]1CCc1ccccc1 c1cn(cn1)[*:1] O=C(c1ccc(nc1)[*:1])N1CCCC[C@H]1CCc1ccccc1
O=C(c1ccc(-n2ccnc2)nc1)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(c1ccc(nc1)-n1ccnc1)N1CCCC[C@@H]1[*:1]
O=C(c1ccc(-n2ccnc2)nc1)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(nc1)-n1ccnc1)N1CCCC[C@H]1CC[*:1]
CCn1cc(C[NH+](Cc2ccccc2)CC2CCC2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)C[NH+](CC1CCC1)C[*:1]
CCn1cc(C[NH+](Cc2ccccc2)CC2CCC2)cn1 c1ccc(cc1)C[*:1] CCn1cc(cn1)C[NH+](CC1CCC1)[*:1]
CCn1cc(C[NH+](Cc2ccccc2)CC2CCC2)cn1 C1CC(C1)[*:1] CCn1cc(cn1)C[NH+](Cc1ccccc1)C[*:1]
CCn1cc(C[NH+](Cc2ccccc2)CC2CCC2)cn1 CCn1cc(cn1)[*:1] c1ccc(cc1)C[NH+](CC1CCC1)C[*:1]
CCn1cc(C[NH+](Cc2ccccc2)CC2CCC2)cn1 C1CC(C1)C[*:1] CCn1cc(cn1)C[NH+](Cc1ccccc1)[*:1]
Cc1c(F)cccc1NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 C[C@H](O)CNS(=O)(=O)[*:1] Cc1c(F)cccc1NC(=O)c1ccc(cc1)[*:1]
Cc1c(F)cccc1NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 Cc1c(F)cccc1[*:1] C[C@H](O)CNS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1ncn(C[C@H](C)[NH2+][C@H](C)C2CCCCC2)c1C C1CCC(CC1)[*:1] Cc1ncn(C[C@H](C)[NH2+][C@H](C)[*:1])c1C
O=S(=O)(c1ccccc1Cl)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 Clc1ccccc1[*:1] O=S(=O)(N(C[C@@H]1CCCO1)[C@@H]1CCSC1)[*:1]
O=S(=O)(c1ccccc1Cl)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@@H](C1)[*:1] O=S(=O)(c1ccccc1Cl)N(C[*:1])[C@@H]1CCSC1
O=S(=O)(c1ccccc1Cl)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@@H](C1)C[*:1] O=S(=O)(c1ccccc1Cl)N([C@@H]1CCSC1)[*:1]
O=C([C@H](c1ccccc1)n1cnnn1)N1CCn2c(nnc2C(F)(F)F)C1 c1ccc(cc1)[*:1] O=C([C@H](n1cnnn1)[*:1])N1CCn2c(C1)nnc2C(F)(F)F
O=C([C@H](c1ccccc1)n1cnnn1)N1CCn2c(nnc2C(F)(F)F)C1 c1nnnn1[*:1] O=C([C@H](c1ccccc1)[*:1])N1CCn2c(C1)nnc2C(F)(F)F
O=C([C@H](c1ccccc1)n1cnnn1)N1CCn2c(nnc2C(F)(F)F)C1 FC(F)(F)[*:1] O=C([C@H](c1ccccc1)n1cnnn1)N1CCn2c(C1)nnc2[*:1]
COC(=O)[C@@H](C)[C@@H](C)NCC(C)(C)[NH+](C)C COC(=O)[*:1] C[C@@H]([C@@H](C)NCC(C)(C)[NH+](C)C)[*:1]
COc1ccccc1C(=O)N1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1 COc1ccccc1[*:1] Cn1nc(C2CCN(CC2)C(=O)[*:1])n(c1=O)C1CCCC1
COc1ccccc1C(=O)N1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1 C1CCC(C1)[*:1] COc1ccccc1C(=O)N1CCC(CC1)c1nn(C)c(=O)n1[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(C2SCCCS2)c1 C1CSC(SC1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(c1)[*:1]
Cc1csc(NC(=O)CCn2c(=O)oc3ccccc32)n1 Cc1csc(n1)[*:1] O=C(CCn1c(=O)oc2ccccc21)N[*:1]
Cc1ccc(-c2nnc(CN(Cc3cccnc3)C[C@@H]3CCCO3)o2)cc1 Cc1ccc(cc1)[*:1] c1cncc(c1)CN(Cc1nnc(o1)[*:1])C[C@@H]1CCCO1
Cc1ccc(-c2nnc(CN(Cc3cccnc3)C[C@@H]3CCCO3)o2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)-c1nnc(CN(C[C@@H]2CCCO2)C[*:1])o1
Cc1ccc(-c2nnc(CN(Cc3cccnc3)C[C@@H]3CCCO3)o2)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)-c1nnc(CN(C[C@@H]2CCCO2)[*:1])o1
c1c(-c2nc(CSC3CCCC3)no2)nnn1C1C[NH2+]C1 C1CCC(C1)[*:1] c1c(nnn1C1C[NH2+]C1)-c1nc(CS[*:1])no1
c1c(-c2nc(CSC3CCCC3)no2)nnn1C1C[NH2+]C1 C1CCC(C1)S[*:1] c1c(nnn1C1C[NH2+]C1)-c1nc(C[*:1])no1
c1c(-c2nc(CSC3CCCC3)no2)nnn1C1C[NH2+]C1 C1CCC(C1)SC[*:1] c1c(nnn1C1C[NH2+]C1)-c1nc(no1)[*:1]
CCOC(=O)N1CCc2c(sc3nc(SCC(C)=O)n(Cc4ccccc4)c(=O)c23)C1 c1ccc(cc1)C[*:1] CCOC(=O)N1CCc2c(C1)sc1nc(SCC(C)=O)n(c(=O)c21)[*:1]
CCOC(=O)N1CCc2c(sc3nc(SCC(C)=O)n(Cc4ccccc4)c(=O)c23)C1 CC(=O)C[*:1] CCOC(=O)N1CCc2c(C1)sc1nc(S[*:1])n(Cc3ccccc3)c(=O)c21
CCOC(=O)N1CCc2c(sc3nc(SCC(C)=O)n(Cc4ccccc4)c(=O)c23)C1 CC(=O)CS[*:1] CCOC(=O)N1CCc2c(C1)sc1nc(n(Cc3ccccc3)c(=O)c21)[*:1]
CCOC(=O)N1CCc2c(sc3nc(SCC(C)=O)n(Cc4ccccc4)c(=O)c23)C1 CC(=O)[*:1] CCOC(=O)N1CCc2c(C1)sc1nc(SC[*:1])n(Cc3ccccc3)c(=O)c21
CCOC(=O)N1CCc2c(sc3nc(SCC(C)=O)n(Cc4ccccc4)c(=O)c23)C1 c1ccc(cc1)[*:1] CCOC(=O)N1CCc2c(C1)sc1nc(SCC(C)=O)n(C[*:1])c(=O)c21
C[C@@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N1CC[NH+](CC1)C1CCCC1)O[*:1]
C[C@@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)Oc1ccccc1 C1CCC(C1)[*:1] C[C@@H](CNC(=O)N1CC[NH+](CC1)[*:1])Oc1ccccc1
C[C@@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)N1CC[NH+](CC1)C1CCCC1)[*:1]
CCOc1cc(CNS(=O)(=O)c2c(C)noc2C)ccn1 Cc1noc(C)c1[*:1] CCOc1cc(ccn1)CNS(=O)(=O)[*:1]
CCOc1cc(CNS(=O)(=O)c2c(C)noc2C)ccn1 CCO[*:1] Cc1noc(C)c1S(=O)(=O)NCc1ccnc(c1)[*:1]
CCOC(=O)c1s/c(=N/C(=O)c2cccc(SCC)c2)n(C)c1C CCS[*:1] CCOC(=O)c1s/c(=N/C(=O)c2cccc(c2)[*:1])n(C)c1C
CCOC(=O)c1s/c(=N/C(=O)c2cccc(SCC)c2)n(C)c1C CCOC(=O)[*:1] CCSc1cccc(c1)C(=O)/N=c1/sc(c(C)n1C)[*:1]
O=C(CN1CCN(C(=O)NC2CCC(O)CC2)CC1)N1CCCCCC1 OC1CCC(CC1)[*:1] O=C(CN1CCN(CC1)C(=O)N[*:1])N1CCCCCC1
Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)Nc1ccccc1-c1ccccc1
Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nnnc1S[C@H](C)C(=O)Nc1ccccc1[*:1]
Cc1cccc(CNC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1 Cc1cccc(c1)C[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)N[*:1]
Cc1cccc(CNC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1 CC(C)[*:1] Cc1cccc(c1)CNC(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1cccc(CNC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1 CC(C)NC(=O)C[*:1] Cc1cccc(c1)CNC(=O)N1CCN(CC1)[*:1]
Cc1cccc(CNC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1 Cc1cccc(c1)[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)NC[*:1]
Cc1cccc(CNC(=O)N2CCN(CC(=O)NC(C)C)CC2)c1 CC(C)NC(=O)[*:1] Cc1cccc(c1)CNC(=O)N1CCN(CC1)C[*:1]
C[C@@H](O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F C[C@@H](O)[*:1] FC(F)(F)Oc1ccccc1[C@H]1C[C@H]1[*:1]
C[C@@H](O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F FC(F)(F)[*:1] C[C@@H](O)[C@@H]1C[C@@H]1c1ccccc1O[*:1]
C[C@@H](O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] C[C@@H](O)[C@@H]1C[C@@H]1c1ccccc1[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] O=C(Cc1ccc(cc1Cl)[N+](=O)[O-])N(CC[*:1])C1CCC1
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] O=C(Cc1ccc(cc1Cl)[N+](=O)[O-])N(C1CCC1)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(CCC(F)(F)F)C1CCC1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1Cl)[*:1])N(CCC(F)(F)F)C1CCC1
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] O=C(Cc1ccc(cc1Cl)[N+](=O)[O-])N(C[*:1])C1CCC1
O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] O=C(Cc1ccc(cc1Cl)[N+](=O)[O-])N(CCC(F)(F)F)[*:1]
CC[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@@H]1[*:1])C(=O)CN1C(=O)NC(C)(C)C1=O
Cc1ccc(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)CNC(=O)c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)F)[*:1]
Cc1ccc(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)CNC(=O)c1cc2N[C@H](C[C@@H](n2n1)[*:1])c1ccco1
Cc1ccc(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)c1ccco1
Cc1ccc(CNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])c1cc2N[C@H](C[C@H](n2n1)C(F)(F)F)c1ccco1
CCc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CCc1ccccc1NC(=O)C1CCN(CC1)C(=O)[*:1]
CCc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 CCc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccc(F)c1
Cc1ccc(CN2CCO[C@H](c3nccs3)C2)cc1F c1csc(n1)[*:1] Cc1ccc(cc1F)CN1CCO[C@H](C1)[*:1]
CCCc1cc(NC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)n(C)n1 Cc1cccc(c1)[*:1] CCCc1cc(NC(=O)N[C@@H](c2ccccn2)[*:1])n(C)n1
CCCc1cc(NC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)n(C)n1 CCC[*:1] Cc1cccc(c1)[C@H](NC(=O)Nc1cc(nn1C)[*:1])c1ccccn1
CCCc1cc(NC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)n(C)n1 c1ccc(nc1)[*:1] CCCc1cc(NC(=O)N[C@@H](c2cccc(C)c2)[*:1])n(C)n1
CCCc1cc(NC(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)n(C)n1 CCCc1cc(n(C)n1)[*:1] Cc1cccc(c1)[C@H](NC(=O)N[*:1])c1ccccn1
CC(C)c1nnc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)o1 CC(C)c1nnc(o1)[*:1] O=C(CSc1nc(nc2ccccc12)C(F)(F)F)N[*:1]
CC(C)c1nnc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)o1 CC(C)[*:1] O=C(CSc1nc(nc2ccccc12)C(F)(F)F)Nc1nnc(o1)[*:1]
CC(C)c1nnc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)o1 FC(F)(F)[*:1] CC(C)c1nnc(NC(=O)CSc2nc(nc3ccccc23)[*:1])o1
C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H](C)O)C(=O)Nc1cccc(Cl)c1Cl C[C@@H](O)C[*:1] C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1[*:1])C(=O)Nc1cccc(Cl)c1Cl
C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H](C)O)C(=O)Nc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H](C)O)C(=O)N[*:1]
C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H](C)O)C(=O)Nc1cccc(Cl)c1Cl C[C@@H](O)[*:1] C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[*:1])C(=O)Nc1cccc(Cl)c1Cl
CC[C@@H]1CC[C@@H](c2noc(CCCCO)n2)C1 OCCC[*:1] CC[C@@H]1CC[C@H](C1)c1noc(C[*:1])n1
CC[C@@H]1CC[C@@H](c2noc(CCCCO)n2)C1 OCC[*:1] CC[C@@H]1CC[C@H](C1)c1noc(CC[*:1])n1
CC[C@@H]1CC[C@@H](c2noc(CCCCO)n2)C1 OCCCC[*:1] CC[C@@H]1CC[C@H](C1)c1noc(n1)[*:1]
C[C@H](O)c1cnc(CCC(F)(F)F)s1 FC(F)(F)[*:1] C[C@H](O)c1cnc(CC[*:1])s1
C[C@H](O)c1cnc(CCC(F)(F)F)s1 C[C@H](O)[*:1] FC(F)(F)CCc1ncc(s1)[*:1]
CC(=O)[C@@H](Sc1nc(-c2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)C CN(C)C(=O)[*:1] CC(=O)[C@@H](Sc1nc(nc2c1c(=O)n(C)c(=O)n2C)-c1ccccc1Cl)[*:1]
CC(=O)[C@@H](Sc1nc(-c2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)C Clc1ccccc1[*:1] CC(=O)[C@@H](Sc1nc(nc2c1c(=O)n(C)c(=O)n2C)[*:1])C(=O)N(C)C
CC(=O)[C@@H](Sc1nc(-c2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)C CC(=O)[*:1] CN(C)C(=O)[C@H](Sc1nc(nc2c1c(=O)n(C)c(=O)n2C)-c1ccccc1Cl)[*:1]
C[NH2+]C[C@H](Cc1nccs1)c1ccccc1Br c1csc(n1)[*:1] C[NH2+]C[C@H](C[*:1])c1ccccc1Br
CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 C1CC1[*:1] CCOc1ccccc1N1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 CCO[*:1] O=C([C@@H]1CC(=O)N(C1)C1CC1)N1CCN(CC1)c1ccccc1[*:1]
O=C(c1ccc(NC2CCCCCC2)nc1)N1CCCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1ccc(nc1)NC1CCCCCC1)N1CCCN(CC1)[*:1]
O=C(c1ccc(NC2CCCCCC2)nc1)N1CCCN(c2ncccn2)CC1 C1CCCC(CC1)[*:1] O=C(c1ccc(nc1)N[*:1])N1CCCN(CC1)c1ncccn1
O=C(c1ccc(NC2CCCCCC2)nc1)N1CCCN(c2ncccn2)CC1 C1CCCC(CC1)N[*:1] O=C(c1ccc(nc1)[*:1])N1CCCN(CC1)c1ncccn1
CNC(=O)c1ccccc1NC(=O)C[C@H](c1ccccc1)C(C)C CC(C)[*:1] CNC(=O)c1ccccc1NC(=O)C[C@H](c1ccccc1)[*:1]
CNC(=O)c1ccccc1NC(=O)C[C@H](c1ccccc1)C(C)C CNC(=O)[*:1] CC(C)[C@H](CC(=O)Nc1ccccc1[*:1])c1ccccc1
CNC(=O)c1ccccc1NC(=O)C[C@H](c1ccccc1)C(C)C c1ccc(cc1)[*:1] CNC(=O)c1ccccc1NC(=O)C[C@H](C(C)C)[*:1]
CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1ccncc1)c1ccccc1O2 c1cc(ccn1)[*:1] CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)[*:1])c1ccccc1O2
CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1ccncc1)c1ccccc1O2 O=C(N[*:1])c1ccncc1 CCN1CC[C@@]2(CCC1=O)C[C@@H](c1ccccc1O2)[*:1]
N#CCc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 N#CC[*:1] O=C(Nc1ccc(cc1)[*:1])c1c[nH]c2ccccc12
CC[NH+]1CCN([C@@H](C[NH3+])CC(=O)NC(C)C)CC1 CC(C)NC(=O)[*:1] CC[NH+]1CCN(CC1)[C@@H](C[NH3+])C[*:1]
CC[NH+]1CCN([C@@H](C[NH3+])CC(=O)NC(C)C)CC1 CC(C)[*:1] CC[NH+]1CCN(CC1)[C@@H](C[NH3+])CC(=O)N[*:1]
COC(=O)c1ccc(-c2cc(O)cc(F)c2)cc1 COC(=O)[*:1] Oc1cc(F)cc(c1)-c1ccc(cc1)[*:1]
Cn1nnnc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 Cn1nnnc1S[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)C[*:1]
Cn1nnnc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 Cn1nnnc1[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)CS[*:1]
Cn1nnnc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cn1nnnc1SCC(=O)NCCc1ccc(cc1)[*:1]
CCC[C@@H](O)c1cc2c(cc1NC(=O)c1ccccc1I)OCCO2 Ic1ccccc1[*:1] CCC[C@@H](O)c1cc2OCCOc2cc1NC(=O)[*:1]
CCC[C@@H](O)c1cc2c(cc1NC(=O)c1ccccc1I)OCCO2 CCC[*:1] O=C(Nc1cc2OCCOc2cc1[C@H](O)[*:1])c1ccccc1I
CC[NH2+]CCc1cn(Cc2ncnn2C(C)C)cn1 CC(C)[*:1] CC[NH2+]CCc1cn(cn1)Cc1ncnn1[*:1]
O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(c1cc2CCc3ccccc3-c2s1)N1CCOC[C@@H]1[*:1]
O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] O=C(Nc1cccc(c1)N1CCOC1=O)[C@H]1CC(=NO1)[*:1]
O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1CC(c2cccc(F)c2)=NO1 O=C1OCCN1[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CC(=NO1)c1cccc(F)c1
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2noc(-c3ccc(C)cc3)n2)C1=O Clc1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(Cc2noc(n2)-c2ccc(C)cc2)C1=O)[*:1]
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2noc(-c3ccc(C)cc3)n2)C1=O Cc1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(Cc2noc(n2)[*:1])C1=O)c1ccc(Cl)cc1
C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(NC(N)=O)cc2)o1 NC(=O)N[*:1] C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(cc2)[*:1])o1
N#C[C@H]1CN(C(=O)c2c(O)cccc2O)CCN1Cc1ccccc1 Oc1cccc(O)c1[*:1] N#C[C@H]1CN(CCN1Cc1ccccc1)C(=O)[*:1]
N#C[C@H]1CN(C(=O)c2c(O)cccc2O)CCN1Cc1ccccc1 c1ccc(cc1)C[*:1] N#C[C@H]1CN(CCN1[*:1])C(=O)c1c(O)cccc1O
N#C[C@H]1CN(C(=O)c2c(O)cccc2O)CCN1Cc1ccccc1 c1ccc(cc1)[*:1] N#C[C@H]1CN(CCN1C[*:1])C(=O)c1c(O)cccc1O
Cc1csc(-c2cccc(C(=O)NC3CC3)c2)n1 O=C(NC1CC1)[*:1] Cc1csc(n1)-c1cccc(c1)[*:1]
Cc1csc(-c2cccc(C(=O)NC3CC3)c2)n1 C1CC1[*:1] Cc1csc(n1)-c1cccc(c1)C(=O)N[*:1]
Cc1csc(-c2cccc(C(=O)NC3CC3)c2)n1 Cc1csc(n1)[*:1] O=C(NC1CC1)c1cccc(c1)[*:1]
C[C@@](O)(CNC(=O)N[C@@H](c1ccccc1)C1CCCC1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@@](O)(CNC(=O)N[C@@H](c1ccccc1)C1CCCC1)C[*:1]
C[C@@](O)(CNC(=O)N[C@@H](c1ccccc1)C1CCCC1)CN1CCOCC1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)N[C@@H](C1CCCC1)[*:1])CN1CCOCC1
C[C@@](O)(CNC(=O)N[C@@H](c1ccccc1)C1CCCC1)CN1CCOCC1 C1CCC(C1)[*:1] C[C@@](O)(CNC(=O)N[C@@H](c1ccccc1)[*:1])CN1CCOCC1
C[C@@](O)(CNC(=O)N[C@@H](c1ccccc1)C1CCCC1)CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@](O)(CNC(=O)N[C@@H](c1ccccc1)C1CCCC1)[*:1]
O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2cnc(C3CCCC3)s2)C1 Fc1ccc(F)c(c1)[*:1] O[C@H]1C[C@H](N(Cc2cnc(s2)C2CCCC2)C1)[*:1]
O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2cnc(C3CCCC3)s2)C1 C1CCC(C1)[*:1] O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2cnc(s2)[*:1])C1
C[C@@H](Cn1cccn1)OC(=O)c1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] C[C@@H](Cn1cccn1)OC(=O)c1cccc(c1)NC(=O)[*:1]
C[C@@H](Cn1cccn1)OC(=O)c1cccc(NC(=O)c2ccco2)c1 c1cnn(c1)[*:1] C[C@@H](C[*:1])OC(=O)c1cccc(c1)NC(=O)c1ccco1
C[C@@H](Cn1cccn1)OC(=O)c1cccc(NC(=O)c2ccco2)c1 c1cnn(c1)C[*:1] C[C@@H](OC(=O)c1cccc(c1)NC(=O)c1ccco1)[*:1]
C[C@@H](Cn1cccn1)OC(=O)c1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 C[C@@H](Cn1cccn1)OC(=O)c1cccc(c1)[*:1]
Cc1ccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1C Cc1ccc(cc1C)[*:1] C[C@]1(NC(=O)N(CC(=O)NC(=O)N[*:1])C1=O)c1cccc2ccccc12
Cc1ccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1C c1ccc2c(cccc2c1)[*:1] Cc1ccc(cc1C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CCCCN(C)C(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 CCC[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc(cc1)-c1nnc2CCCCn21
CCCCN(C)C(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 CCCC[*:1] CN(C(=O)C(=O)Nc1ccc(cc1)-c1nnc2CCCCn21)[*:1]
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(C)=O)cc1 CC(=O)[*:1] COc1cc(C#N)ccc1OCC(=O)Nc1ccc(cc1)[*:1]
CCc1ccccc1Nc1nc(N)nc(CS[C@H](C)[C@H](C)O)n1 C[C@H](O)[*:1] CCc1ccccc1Nc1nc(N)nc(CS[C@H](C)[*:1])n1
O=C1c2ccccc2OCCN1Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C1c2ccccc2OCCN1Cc1ccc(cc1)[*:1]
COc1cccc(C(=O)N(CC2=CC=C[C@@H]3N=CC=C23)C2CC2)c1OC C1CC1[*:1] COc1cccc(C(=O)N(CC2=CC=C[C@@H]3N=CC=C23)[*:1])c1OC
CCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@@H](C(F)(F)F)C[C@@H]2C)n(C)n1 FC(F)(F)[*:1] CCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@@H](C[C@@H]2C)[*:1])n(C)n1
CCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@@H](C(F)(F)F)C[C@@H]2C)n(C)n1 CCN(CC)C(=O)[*:1] Cc1cc2N(C(=O)c3cc(nn3C)[*:1])[C@@H](C)C[C@@H](n2n1)C(F)(F)F
CC(=O)COc1ccc(C)cc1 CC(=O)C[*:1] Cc1ccc(cc1)O[*:1]
CC(=O)COc1ccc(C)cc1 CC(=O)[*:1] Cc1ccc(cc1)OC[*:1]
CC[NH2+][C@@H](c1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] CC[NH2+][C@@H](c1ccc(F)c(Br)c1)c1ccc(o1)[*:1]
Cn1c2ccccc2c2nnc(N3CCN(Cc4ccccc4)CC3)nc21 c1ccc(cc1)[*:1] Cn1c2ccccc2c2nnc(nc21)N1CCN(CC1)C[*:1]
Cn1c2ccccc2c2nnc(N3CCN(Cc4ccccc4)CC3)nc21 c1ccc(cc1)C[*:1] Cn1c2ccccc2c2nnc(nc21)N1CCN(CC1)[*:1]
CC(C)CCN(C(=O)C[C@@H](C)[NH3+])C1CCCC1 CC(C)C[*:1] C[C@@H]([NH3+])CC(=O)N(C[*:1])C1CCCC1
CC(C)CCN(C(=O)C[C@@H](C)[NH3+])C1CCCC1 CC(C)[*:1] C[C@@H]([NH3+])CC(=O)N(CC[*:1])C1CCCC1
CC(C)CCN(C(=O)C[C@@H](C)[NH3+])C1CCCC1 C1CCC(C1)[*:1] CC(C)CCN(C(=O)C[C@@H](C)[NH3+])[*:1]
CC(C)CCN(C(=O)C[C@@H](C)[NH3+])C1CCCC1 CC(C)CC[*:1] C[C@@H]([NH3+])CC(=O)N(C1CCCC1)[*:1]
O=C(Nc1cc(F)cc(F)c1)N[C@H](CO)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cc(F)cc(F)c1)N[C@H](CO)[*:1]
Cc1sc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c(C(N)=O)c1C c1coc(c1)[*:1] Cc1sc(NC(=O)c2ccc3C(=O)N(C[*:1])C(=O)c3c2)c(C(N)=O)c1C
Cc1sc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c(C(N)=O)c1C c1coc(c1)C[*:1] Cc1sc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)[*:1])c(C(N)=O)c1C
Cc1sc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c(C(N)=O)c1C Cc1sc(c(C(N)=O)c1C)[*:1] O=C(N[*:1])c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
Cc1sc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c(C(N)=O)c1C NC(=O)[*:1] Cc1sc(NC(=O)c2ccc3C(=O)N(Cc4ccco4)C(=O)c3c2)c(c1C)[*:1]
O=C1CCCN1C(=O)CSc1nnc(-c2ccco2)o1 c1coc(c1)[*:1] O=C1CCCN1C(=O)CSc1nnc(o1)[*:1]
C[C@H](SC1CCCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 C1CCC(CC1)[*:1] C[C@H](S[*:1])C(=O)Nc1cccc(c1)N1CCCC1=O
C[C@H](SC1CCCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] C[C@H](SC1CCCCC1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](SC1CCCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 C1CCC(CC1)S[*:1] C[C@H](C(=O)Nc1cccc(c1)N1CCCC1=O)[*:1]
CCOC[C@H]1CCN(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)C1 CC(C)(C)[*:1] CCOC[C@H]1CCN(C1)C(=O)Nc1ccc2nc(sc2c1)[*:1]
CCOC[C@H]1CCN(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)C1 CCO[*:1] CC(C)(C)c1nc2ccc(cc2s1)NC(=O)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)C1 CCOC[*:1] CC(C)(C)c1nc2ccc(cc2s1)NC(=O)N1CC[C@@H](C1)[*:1]
COC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)c(N(C)C)c1 COC(=O)[*:1] Cc1ccc(cc1N(C)C)S(=O)(=O)N1CCCC[C@H]1C[*:1]
COC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)c(N(C)C)c1 COC(=O)C[*:1] Cc1ccc(cc1N(C)C)S(=O)(=O)N1CCCC[C@H]1[*:1]
COC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)c(N(C)C)c1 CN(C)[*:1] COC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)c(c1)[*:1]
COCCn1cc(C(=O)Nc2nc([C@H]3CCCO3)n[nH]2)c2ccccc21 COC[*:1] O=C(Nc1nc(n[nH]1)[C@H]1CCCO1)c1cn(C[*:1])c2ccccc12
COCCn1cc(C(=O)Nc2nc([C@H]3CCCO3)n[nH]2)c2ccccc21 COCC[*:1] O=C(Nc1nc(n[nH]1)[C@H]1CCCO1)c1cn(c2ccccc12)[*:1]
Cc1nc2ncnn2c(NCC2CCN(C(=O)c3ccccc3)CC2)c1C c1ccc(cc1)[*:1] Cc1nc2ncnn2c(NCC2CCN(CC2)C(=O)[*:1])c1C
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(-c2csc(n2)/C(C#N)=C/Nc2ccccc2[*:1])c(C)c1
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] N#C/C(=C\Nc1ccccc1[N+](=O)[O-])c1nc(cs1)[*:1]
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)c(C)c1 O=[N+]([O-])c1ccccc1[*:1] Cc1ccc(-c2csc(n2)/C(C#N)=C/N[*:1])c(C)c1
CC[C@H](CO)N1CCN(C(=O)C2C[C@@H](C)O[C@H](C)C2)CC1 CC[C@H](CO)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCN(CC1)[*:1]
C[C@@H](/C([O-])=N/S(=O)(=O)C1CCCC1)c1ccc2ccccc2c1 C1CCC(C1)[*:1] C[C@@H](/C([O-])=N/S(=O)(=O)[*:1])c1ccc2ccccc2c1
C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccc(-n2ccnc2)cc1 Clc1cc(Br)ccc1[*:1] C[C@H](NS(=O)(=O)[*:1])c1ccc(cc1)-n1ccnc1
C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccc(cc1)[*:1]
O=C(c1cnc([C@H]2CCCO2)s1)N(CCC(F)(F)F)CC1CC1 C1CO[C@H](C1)[*:1] O=C(c1cnc(s1)[*:1])N(CCC(F)(F)F)CC1CC1
O=C(c1cnc([C@H]2CCCO2)s1)N(CCC(F)(F)F)CC1CC1 FC(F)(F)[*:1] O=C(c1cnc(s1)[C@H]1CCCO1)N(CC[*:1])CC1CC1
O=C(c1cnc([C@H]2CCCO2)s1)N(CCC(F)(F)F)CC1CC1 C1CC1C[*:1] O=C(c1cnc(s1)[C@H]1CCCO1)N(CCC(F)(F)F)[*:1]
O=C(c1cnc([C@H]2CCCO2)s1)N(CCC(F)(F)F)CC1CC1 FC(F)(F)C[*:1] O=C(c1cnc(s1)[C@H]1CCCO1)N(CC1CC1)C[*:1]
O=C(c1cnc([C@H]2CCCO2)s1)N(CCC(F)(F)F)CC1CC1 FC(F)(F)CC[*:1] O=C(c1cnc(s1)[C@H]1CCCO1)N(CC1CC1)[*:1]
O=C(c1cnc([C@H]2CCCO2)s1)N(CCC(F)(F)F)CC1CC1 C1CC1[*:1] O=C(c1cnc(s1)[C@H]1CCCO1)N(CCC(F)(F)F)C[*:1]
CC[C@H](NC(=O)N[C@@H](CCO)c1cccs1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC[C@H](NC(=O)N[C@@H](CCO)c1cccs1)[*:1]
CC[C@H](NC(=O)N[C@@H](CCO)c1cccs1)c1ccc(F)cc1F OCC[*:1] CC[C@H](NC(=O)N[C@@H](c1cccs1)[*:1])c1ccc(F)cc1F
CC[C@H](NC(=O)N[C@@H](CCO)c1cccs1)c1ccc(F)cc1F c1csc(c1)[*:1] CC[C@H](NC(=O)N[C@@H](CCO)[*:1])c1ccc(F)cc1F
C[C@H](c1ccc(F)cc1)N(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C Fc1ccc(cc1)[*:1] C[C@H](c1ccc(F)cc1)N(C)C(=O)NC[C@H]([NH+](C)C)[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C Fc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[*:1]
CCC(C)(C)c1ccc(OC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 CCC(C)(C)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)Oc1ccc(cc1)[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@H]1CCN1CCOCC1 Cc1nn(C)c(C)c1[*:1] O=S(=O)(N1CCCC[C@H]1CCN1CCOCC1)[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@H]1CCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@H]1C[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@H]1CCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1[*:1]
Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@H]1CCN1CCOCC1 C1CN(CCO1)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@H]1CC[*:1]
CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 c1ccc(cc1)[*:1] CCSc1sccc1[C@@H]1C(C#N)=C(N)N(C2C[C@H](CC(=O)C=21)[*:1])c1cccnc1
CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 c1cncc(c1)[*:1] CCSc1sccc1[C@@H]1C(C#N)=C(N)N(C2C[C@@H](CC(=O)C=21)c1ccccc1)[*:1]
CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 CCSc1sccc1[*:1] N#CC1=C(N)N(C2C[C@@H](CC(=O)C=2[C@@H]1[*:1])c1ccccc1)c1cccnc1
CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)C[C@@H](c1ccccc1)C2 CCS[*:1] N#CC1=C(N)N(C2C[C@@H](CC(=O)C=2[C@@H]1c1ccsc1[*:1])c1ccccc1)c1cccnc1
CCCCN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 CCCC[*:1] O=C1CCSc2ccc(cc2N1)S(=O)(=O)N(Cc1cccs1)[*:1]
CCCCN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 c1csc(c1)[*:1] CCCCN(C[*:1])S(=O)(=O)c1ccc2SCCC(=O)Nc2c1
CCCCN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 CCC[*:1] O=C1CCSc2ccc(cc2N1)S(=O)(=O)N(Cc1cccs1)C[*:1]
CCCCN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 c1csc(c1)C[*:1] CCCCN(S(=O)(=O)c1ccc2SCCC(=O)Nc2c1)[*:1]
Cc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3)c2C)on1 Clc1ccc(cc1)[*:1] Cc1cc(on1)C(=O)Nc1c(C)nn(C[*:1])c1C
Cc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3)c2C)on1 Clc1ccc(cc1)C[*:1] Cc1cc(on1)C(=O)Nc1c(C)nn(c1C)[*:1]
Cc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3)c2C)on1 Cc1cc(on1)[*:1] Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)[*:1]
CCCCCNC(=O)c1cc2nc(C)ccc2o1 CCCCC[*:1] Cc1ccc2oc(cc2n1)C(=O)N[*:1]
CCCCCNC(=O)c1cc2nc(C)ccc2o1 CCC[*:1] Cc1ccc2oc(cc2n1)C(=O)NCC[*:1]
CCCCCNC(=O)c1cc2nc(C)ccc2o1 CCCC[*:1] Cc1ccc2oc(cc2n1)C(=O)NC[*:1]
CCCC[C@H](CC)[NH2+]Cc1cscc1C CCCC[*:1] CC[C@H]([NH2+]Cc1cscc1C)[*:1]
CCCC[C@H](CC)[NH2+]Cc1cscc1C CCC[*:1] CC[C@@H](C[*:1])[NH2+]Cc1cscc1C
C[C@H]1CCC[C@@H]([C@@H]2CC(=O)NC(=O)[C@@H]2c2ccccc2)C1 C[C@H]1CCC[C@@H](C1)[*:1] O=C1C[C@H]([C@H](C(=O)N1)c1ccccc1)[*:1]
C[C@H]1CCC[C@@H]([C@@H]2CC(=O)NC(=O)[C@@H]2c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C1)[C@@H]1CC(=O)NC(=O)[C@H]1[*:1]
O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1 c1cc2OCOc2cc1[*:1] O=C(C=C[*:1])Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1
O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] O=C(/C=C\c1ccc2OCOc2c1)Nc1nnc(SCC(=O)N[*:1])s1
O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1 O=C(Nc1ccc(F)cc1)[*:1] O=C(/C=C\c1ccc2OCOc2c1)Nc1nnc(SC[*:1])s1
Cc1nc(CCC(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)n[nH]1 Cc1nc(C[*:1])n[nH]1 C[C@]1(CCCN(C1)C(=O)C[*:1])Cc1ccc2OCOc2c1
Cc1nc(CCC(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)n[nH]1 c1cc2OCOc2cc1[*:1] Cc1nc(CCC(=O)N2CCC[C@](C)(C2)C[*:1])n[nH]1
Cc1nc(CCC(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)n[nH]1 Cc1nc(CC[*:1])n[nH]1 C[C@]1(CCCN(C1)C(=O)[*:1])Cc1ccc2OCOc2c1
Cc1nc(CCC(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@]1(CCCN(C1)C(=O)CC[*:1])Cc1ccc2OCOc2c1
CCOC(=O)c1c(C)nn(-c2ncccc2NC(=O)/C=C/C(=O)[O-])c1C O=C([O-])/C=C/C(=O)N[*:1] CCOC(=O)c1c(C)nn(-c2ncccc2[*:1])c1C
CCOC(=O)c1c(C)nn(-c2ncccc2NC(=O)/C=C/C(=O)[O-])c1C O=C([O-])C=C[*:1] CCOC(=O)c1c(C)nn(-c2ncccc2NC(=O)[*:1])c1C
CCOC(=O)c1c(C)nn(-c2ncccc2NC(=O)/C=C/C(=O)[O-])c1C O=C([O-])[*:1] CCOC(=O)c1c(C)nn(-c2ncccc2NC(=O)C=C[*:1])c1C
CCOC(=O)c1c(C)nn(-c2ncccc2NC(=O)/C=C/C(=O)[O-])c1C CCOC(=O)[*:1] Cc1nn(-c2ncccc2NC(=O)/C=C/C(=O)[O-])c(C)c1[*:1]
CNC(=O)[C@H]1CCCCN1C(=O)c1nc(-c2ccco2)sc1C c1coc(c1)[*:1] CNC(=O)[C@H]1CCCCN1C(=O)c1nc(sc1C)[*:1]
CNC(=O)[C@H]1CCCCN1C(=O)c1nc(-c2ccco2)sc1C CNC(=O)[*:1] Cc1sc(nc1C(=O)N1CCCC[C@@H]1[*:1])-c1ccco1
CC[C@H](C)n1ncc(C(=O)NCC2(C(=O)N(C)C)CCCC2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)NCC2(CCCC2)C(=O)N(C)C)c1[*:1]
CC[C@H](C)n1ncc(C(=O)NCC2(C(=O)N(C)C)CCCC2)c1C1CC1 CN(C)C(=O)[*:1] CC[C@H](C)n1ncc(C(=O)NCC2(CCCC2)[*:1])c1C1CC1
CC(C)[C@H](C)NC(=O)COc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)[C@H](C)NC(=O)COc1ccc(cc1)O[*:1]
CC(C)[C@H](C)NC(=O)COc1ccc(Oc2ccccc2)cc1 CC(C)[*:1] C[C@H](NC(=O)COc1ccc(cc1)Oc1ccccc1)[*:1]
CC(C)[C@H](C)NC(=O)COc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CC(C)[C@H](C)NC(=O)COc1ccc(cc1)[*:1]
CCOc1ccccc1NC(=O)Nc1ccc(Cl)cn1 CCO[*:1] O=C(Nc1ccc(Cl)cn1)Nc1ccccc1[*:1]
C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)O C[C@@H](O)[*:1] C[C@@H](CCc1ccccc1)NC(=O)[*:1]
C[C@@H](C[NH2+][C@@H](C)c1ccsc1)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C[NH2+][C@@H](C)c1ccsc1)O[*:1]
C[C@@H](C[NH2+][C@@H](C)c1ccsc1)Oc1ccccc1 c1cc(cs1)[*:1] C[C@@H](C[NH2+][C@@H](C)[*:1])Oc1ccccc1
CCCCc1nc2ccccc2n1CCC(N)=O NC(=O)[*:1] CCCCc1nc2ccccc2n1CC[*:1]
CCCCc1nc2ccccc2n1CCC(N)=O CCC[*:1] NC(=O)CCn1c(C[*:1])nc2ccccc21
CCCCc1nc2ccccc2n1CCC(N)=O NC(=O)CC[*:1] CCCCc1nc2ccccc2n1[*:1]
CCCCc1nc2ccccc2n1CCC(N)=O NC(=O)C[*:1] CCCCc1nc2ccccc2n1C[*:1]
CCCCc1nc2ccccc2n1CCC(N)=O CCCC[*:1] NC(=O)CCn1c(nc2ccccc21)[*:1]
C[C@@H](SCCC(=O)Nc1cccc(Cl)c1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 Clc1cccc(c1)[*:1] C[C@@H](SCCC(=O)N[*:1])c1nc2scc(-c3ccco3)c2c(=O)[nH]1
C[C@@H](SCCC(=O)Nc1cccc(Cl)c1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 c1coc(c1)[*:1] C[C@@H](SCCC(=O)Nc1cccc(Cl)c1)c1nc2scc(c2c(=O)[nH]1)[*:1]
C[C@@H](SCCC(=O)Nc1cccc(Cl)c1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 O=C(Nc1cccc(Cl)c1)[*:1] C[C@@H](SCC[*:1])c1nc2scc(-c3ccco3)c2c(=O)[nH]1
O=C(NC1CCCCC1)C1CCN(C(=O)c2cnc3cc[nH]c3c2)CC1 C1CCC(CC1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cnc2cc[nH]c2c1
COC(=O)[C@H]1CN(c2cc3ccccc3c(=O)[nH]2)C[C@H]1C COC(=O)[*:1] C[C@@H]1CN(C[C@@H]1[*:1])c1cc2ccccc2c(=O)[nH]1
Nc1c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2[n+]1C1CCCC1 C1CCC(C1)[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1[*:1])C(=O)NCc1cccnc1
Nc1c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2[n+]1C1CCCC1 c1cncc(c1)[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1C1CCCC1)C(=O)NC[*:1]
Nc1c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2[n+]1C1CCCC1 c1cncc(c1)C[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1C1CCCC1)C(=O)N[*:1]
Nc1c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2[n+]1C1CCCC1 O=C(NCc1cccnc1)[*:1] Nc1c(cc2c(=O)n3ccccc3nc2[n+]1C1CCCC1)[*:1]
CC(C)[C@@H](CO)NC(=O)NCCc1cccc(F)c1 CC(C)[C@@H](CO)[*:1] O=C(NCCc1cccc(F)c1)N[*:1]
CC(C)[C@@H](CO)NC(=O)NCCc1cccc(F)c1 CC(C)[*:1] O=C(NCCc1cccc(F)c1)N[C@H](CO)[*:1]
CC[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1nccs1 c1csc(n1)[*:1] CC[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)[*:1]
O=C1C[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C(=O)N1c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C1C[C@H](C(=O)N1[*:1])[NH+]1CCN(CC1)c1ccccc1F
O=C1C[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C(=O)N1c1cccc(Br)c1 Fc1ccccc1[*:1] O=C1C[C@H](C(=O)N1c1cccc(Br)c1)[NH+]1CCN(CC1)[*:1]
CN(Cc1cccc2ccccc12)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CN(Cc1cccc2ccccc12)C(=O)NC[*:1]
O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCN(CC(F)F)CC1 FC(F)[*:1] O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCN(CC1)C[*:1]
O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCN(CC(F)F)CC1 FC(F)C[*:1] O=C(N[C@H]1C[C@@H]2CCCc3cccc1c32)N1CCN(CC1)[*:1]
O=C(N[C@H](CO)c1ccco1)c1ccc(C(=O)c2cc[nH]c2)cc1 c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1ccc(cc1)C(=O)c1cc[nH]c1
O=C(N[C@H](CO)c1ccco1)c1ccc(C(=O)c2cc[nH]c2)cc1 c1cc(c[nH]1)[*:1] O=C(N[C@H](CO)c1ccco1)c1ccc(cc1)C(=O)[*:1]
O=C(N[C@H](CO)c1ccco1)c1ccc(C(=O)c2cc[nH]c2)cc1 O=C(c1cc[nH]c1)[*:1] O=C(N[C@H](CO)c1ccco1)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccccc1/C=C/c1cc(C(F)(F)F)nc([O-])n1 O=[N+]([O-])[*:1] [O-]c1nc(/C=C/c2ccccc2[*:1])cc(n1)C(F)(F)F
O=[N+]([O-])c1ccccc1/C=C/c1cc(C(F)(F)F)nc([O-])n1 FC(F)(F)[*:1] O=[N+]([O-])c1ccccc1/C=C/c1cc(nc([O-])n1)[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CCCCC1 CC[C@@H](C)[*:1] CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@H](C(=O)NC1CCCCC1)[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[*:1]
CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)[*:1]
CCc1nc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)n[nH]1 CCc1nc(n[nH]1)[*:1] COc1ccc(cc1F)[C@H](C)NC(=O)[*:1]
CCOc1ccc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc1 CCO[*:1] O=C(NCC#CCOc1cccc(c1)C(F)(F)F)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc1 FC(F)(F)[*:1] CCOc1ccc(cc1)C(=O)NCC#CCOc1cccc(c1)[*:1]
CCOc1ccc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc1 CCOc1ccc(cc1)[*:1] O=C(NCC#CCOc1cccc(c1)C(F)(F)F)[*:1]
C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCCC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[*:1])[C@@H](c1cccs1)[NH+]1CCCC1
C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCCC1 c1csc(c1)[*:1] C[C@@H](NC(=O)Nc1ccccc1)[C@@H]([NH+]1CCCC1)[*:1]
N#C[C@]1(NC(=O)CCc2cc(Br)cs2)CCSC1 Brc1csc(c1)[*:1] N#C[C@@]1(CCSC1)NC(=O)CC[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 Fc1ccc(cc1)[*:1] O=S(=O)(N1CCCC[C@H]1c1cc2ccccc2[nH]1)[*:1]
C#CC[C@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)CCC C#CC[C@H](C)[*:1] CCCS(=O)(=O)N1CCCC[C@H]1C(=O)O[*:1]
C#CC[C@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)CCC C#CC[*:1] CCCS(=O)(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)[*:1]
C#CC[C@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)CCC CCC[*:1] C#CC[C@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)[*:1]
CCC[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)c1ncc[nH]1 CC(C)(C)[*:1] CCC[NH2+][C@H](Cc1nc(cs1)[*:1])c1ncc[nH]1
CCC[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)c1ncc[nH]1 CCC[*:1] CC(C)(C)c1csc(C[C@@H]([NH2+][*:1])c2ncc[nH]2)n1
CCC[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)c1ncc[nH]1 c1c[nH]c(n1)[*:1] CCC[NH2+][C@H](Cc1nc(cs1)C(C)(C)C)[*:1]
Cn1cnc(CNC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)n1 Cn1cnc(n1)[*:1] CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NC[*:1]
Cn1cnc(CNC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cnc(CNC(=O)N[C@@H]2CCCC[C@H]2[*:1])n1
Cn1cnc(CNC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)n1 Cn1cnc(C[*:1])n1 CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)N[*:1]
Cc1cc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)no1 Cc1cc(C[*:1])no1 Cc1ccc(cc1C)-n1c(nnc1-c1ccncc1)S[*:1]
Cc1cc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)no1 Cc1ccc(cc1C)[*:1] Cc1cc(CSc2nnc(-c3ccncc3)n2[*:1])no1
Cc1cc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)no1 c1cc(ccn1)[*:1] Cc1cc(CSc2nnc(n2-c2ccc(C)c(C)c2)[*:1])no1
Cc1cc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)no1 Cc1cc(no1)[*:1] Cc1ccc(cc1C)-n1c(nnc1-c1ccncc1)SC[*:1]
Cc1cc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)no1 Cc1cc(CS[*:1])no1 Cc1ccc(cc1C)-n1c(nnc1[*:1])-c1ccncc1
C[C@H](NC(=O)Nc1cccs1)c1ccccc1 c1csc(c1)[*:1] C[C@H](NC(=O)N[*:1])c1ccccc1
CCn1c([C@H](C)NC(=O)Cc2ccon2)nc2ccccc21 c1cc(no1)[*:1] CCn1c(nc2ccccc21)[C@H](C)NC(=O)C[*:1]
CCn1c([C@H](C)NC(=O)Cc2ccon2)nc2ccccc21 c1cc(C[*:1])no1 CCn1c(nc2ccccc21)[C@H](C)NC(=O)[*:1]
CCC[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 CCC[*:1] FC(F)(F)c1ccnc(n1)N1CC[NH+](CC1)[*:1]
CCC[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 FC(F)(F)[*:1] CCC[NH+]1CCN(CC1)c1nccc(n1)[*:1]
COc1ccccc1NC(=O)CNc1cccc(NC(=O)C(C)C)c1 CC(C)C(=O)N[*:1] COc1ccccc1NC(=O)CNc1cccc(c1)[*:1]
COc1ccccc1NC(=O)CNc1cccc(NC(=O)C(C)C)c1 CC(C)[*:1] COc1ccccc1NC(=O)CNc1cccc(c1)NC(=O)[*:1]
COc1ccccc1NC(=O)CNc1cccc(NC(=O)C(C)C)c1 COc1ccccc1[*:1] CC(C)C(=O)Nc1cccc(c1)NCC(=O)N[*:1]
CCc1ccc([C@@H](COC)NC(=O)C(=O)Nc2cccc(C#N)c2)o1 N#Cc1cccc(c1)[*:1] CCc1ccc(o1)[C@@H](COC)NC(=O)C(=O)N[*:1]
CCc1ccc([C@@H](COC)NC(=O)C(=O)Nc2cccc(C#N)c2)o1 COC[*:1] CCc1ccc(o1)[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[*:1]
CCc1ccc([C@@H](COC)NC(=O)C(=O)Nc2cccc(C#N)c2)o1 CCc1ccc(o1)[*:1] COC[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[*:1]
COc1ccc(NC(=S)NC(=O)C[C@H]2C[C@H](C(C)=O)C2(C)C)cc1 CC(=O)[*:1] COc1ccc(cc1)NC(=S)NC(=O)C[C@H]1C[C@H](C1(C)C)[*:1]
COc1ccc(NC(=S)NC(=O)C[C@H]2C[C@H](C(C)=O)C2(C)C)cc1 COc1ccc(cc1)[*:1] CC(=O)[C@H]1C[C@H](CC(=O)NC(=S)N[*:1])C1(C)C
COc1ccc(CNC(=O)N[C@@H](C)CCC(C)C)cc1 CC(C)CC[*:1] COc1ccc(cc1)CNC(=O)N[C@@H](C)[*:1]
COc1ccc(CNC(=O)N[C@@H](C)CCC(C)C)cc1 CC(C)C[*:1] COc1ccc(cc1)CNC(=O)N[C@@H](C)C[*:1]
COc1ccc(CNC(=O)N[C@@H](C)CCC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)CNC(=O)N[C@@H](C)CC[*:1]
O=C(NCCCO)NCC(=O)N1CCc2ccccc2C1 OCCC[*:1] O=C(NCC(=O)N1CCc2ccccc2C1)N[*:1]
O=C(NCCCO)NCC(=O)N1CCc2ccccc2C1 OCC[*:1] O=C(NCC(=O)N1CCc2ccccc2C1)NC[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)C(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)C(F)(F)F)[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)C(F)(F)F)C1CCCC1 FC(F)(F)[*:1] O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)[*:1])C1CCCC1
O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)C(F)(F)F)C1CCCC1 c1cc(ccn1)[*:1] O=C(NC1CCCCC1)[C@@H](N(C(=O)C(F)(F)F)C1CCCC1)[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)C(F)(F)F)C1CCCC1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@@H](c1ccncc1)N(C(=O)C(F)(F)F)C1CCCC1
O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)C(F)(F)F)C1CCCC1 O=C(NC1CCCCC1)[*:1] O=C(N(C1CCCC1)[C@H](c1ccncc1)[*:1])C(F)(F)F
C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1CCCO1 C[C@H]([C@@H]1CCCO1)[*:1] O=C(N[C@@H]1c2ccccc2C[C@@H]1O)N[*:1]
C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)[*:1]
COc1ccc(/C=C/c2nccc(-c3cnn(C)c3)n2)c(OC)c1 Cn1cc(cn1)[*:1] COc1ccc(/C=C/c2nccc(n2)[*:1])c(c1)OC
O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2ccc(CO)cc2)C1 OCc1ccc(cc1)[*:1] O=C(CCc1ccccc1)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2ccc(CO)cc2)C1 c1ccc(cc1)C[*:1] O=C(C[*:1])[C@H]1CCCN(C1)C(=O)Cc1ccc(cc1)CO
O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2ccc(CO)cc2)C1 c1ccc(cc1)[*:1] O=C(CC[*:1])[C@H]1CCCN(C1)C(=O)Cc1ccc(cc1)CO
O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2ccc(CO)cc2)C1 c1ccc(cc1)CC[*:1] O=C(Cc1ccc(cc1)CO)N1CCC[C@@H](C1)C(=O)[*:1]
O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2ccc(CO)cc2)C1 OCc1ccc(cc1)C[*:1] O=C(CCc1ccccc1)[C@H]1CCCN(C1)C(=O)[*:1]
COC(=O)CCC(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] COC(=O)CCC(=O)N1CCO[C@H](Cc2cccc(c2)[*:1])C1
COC(=O)CCC(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 COC(=O)CC[*:1] O=C(N1CCO[C@H](Cc2cccc(c2)C(F)(F)F)C1)[*:1]
COC(=O)CCC(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 COC(=O)[*:1] O=C(CC[*:1])N1CCO[C@H](Cc2cccc(c2)C(F)(F)F)C1
COC(=O)CCC(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 COC(=O)C[*:1] O=C(C[*:1])N1CCO[C@H](Cc2cccc(c2)C(F)(F)F)C1
O=C(COc1cccc(F)c1F)NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(COc1cccc(F)c1F)NC(=O)N[*:1]
N#CCCCS(=O)(=O)NCC1(c2ccc(F)cc2F)CC1 N#CCC[*:1] O=S(=O)(C[*:1])NCC1(CC1)c1ccc(F)cc1F
N#CCCCS(=O)(=O)NCC1(c2ccc(F)cc2F)CC1 N#CCCC[*:1] O=S(=O)(NCC1(CC1)c1ccc(F)cc1F)[*:1]
N#CCCCS(=O)(=O)NCC1(c2ccc(F)cc2F)CC1 N#CC[*:1] O=S(=O)(CC[*:1])NCC1(CC1)c1ccc(F)cc1F
Cn1cc[nH+]c1[C@H](NCc1nc2c(s1)CCC2)c1ccc(F)cc1 C1Cc2nc(sc2C1)[*:1] Cn1cc[nH+]c1[C@H](NC[*:1])c1ccc(F)cc1
Cn1cc[nH+]c1[C@H](NCc1nc2c(s1)CCC2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1cc[nH+]c1[C@H](NCc1nc2CCCc2s1)[*:1]
Cc1cc([N+](=O)[O-])cnc1N1CCC(N(C)c2cccnn2)CC1 c1cnnc(c1)[*:1] Cc1cc(cnc1N1CCC(CC1)N(C)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1N1CCC(N(C)c2cccnn2)CC1 CN(c1cccnn1)[*:1] Cc1cc(cnc1N1CCC(CC1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1N1CCC(N(C)c2cccnn2)CC1 O=[N+]([O-])[*:1] Cc1cc(cnc1N1CCC(CC1)N(C)c1cccnn1)[*:1]
CC(C)CC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 CC(C)[*:1] O=C(C[*:1])Nc1ccc2oc(nc2c1)-c1ccccc1
CC(C)CC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 CC(C)C[*:1] O=C(Nc1ccc2oc(nc2c1)-c1ccccc1)[*:1]
CC(C)CC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 c1ccc(cc1)[*:1] CC(C)CC(=O)Nc1ccc2oc(nc2c1)[*:1]
CC(C)CC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 CC(C)CC(=O)N[*:1] c1ccc(cc1)-c1nc2cc(ccc2o1)[*:1]
COc1ccccc1[C@@]1(C)C[NH+]=C(N)N1c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1[C@@]1(C)C[NH+]=C(N)N1[*:1]
CCCN1CCO[C@H]([C@H](O)c2cc(C)c[nH+]c2N)C1 CCC[*:1] Cc1c[nH+]c(N)c(c1)[C@@H](O)[C@@H]1CN(CCO1)[*:1]
CC(C)[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC[C@]1(CCSC1)N1CCOCC1)[*:1]
CC(C)[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccccc1 CC(C)[*:1] c1ccc(cc1)[C@H](NC[C@]1(CCSC1)N1CCOCC1)[*:1]
CC(C)[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1ccccc1 C1CN(CCO1)[*:1] CC(C)[C@@H](NC[C@]1(CCSC1)[*:1])c1ccccc1
O=C(NCCc1c[nH]c2ccccc12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])c1ccc(NC2CC2)c(c1)[N+](=O)[O-]
O=C(NCCc1c[nH]c2ccccc12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1[*:1] O=C(NCCc1c[nH]c2ccccc12)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
O=C(NCCc1c[nH]c2ccccc12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCCc1c[nH]c2ccccc12)c1ccc(NC2CC2)c(c1)[*:1]
O=C(NCCc1c[nH]c2ccccc12)c1ccc(NC2CC2)c([N+](=O)[O-])c1 C1CC1N[*:1] O=C(NCCc1c[nH]c2ccccc12)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C([O-])c1ccccc1-c1ccccc1C(=O)NCCc1ccccc1 O=C([O-])[*:1] O=C(NCCc1ccccc1)c1ccccc1-c1ccccc1[*:1]
O=C([O-])c1ccccc1-c1ccccc1C(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C([O-])c1ccccc1-c1ccccc1C(=O)NC[*:1]
O=C([O-])c1ccccc1-c1ccccc1C(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C([O-])c1ccccc1-c1ccccc1C(=O)NCC[*:1]
O=C([O-])c1ccccc1-c1ccccc1C(=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C([O-])c1ccccc1-c1ccccc1C(=O)N[*:1]
O=C1Nc2c(Cl)cc(Cl)cc2[C@@]1(O)c1sc(N2CCCCC2)nc1-c1cccs1 C1CCN(CC1)[*:1] O=C1Nc2c(Cl)cc(Cl)cc2[C@@]1(O)c1sc(nc1-c1cccs1)[*:1]
O=C1Nc2c(Cl)cc(Cl)cc2[C@@]1(O)c1sc(N2CCCCC2)nc1-c1cccs1 c1csc(c1)[*:1] O=C1Nc2c(Cl)cc(Cl)cc2[C@@]1(O)c1sc(nc1[*:1])N1CCCCC1
O=C(NC[C@@]1(O)CCSC1)c1c(F)cc(OC(F)F)cc1F FC(F)O[*:1] O=C(NC[C@@]1(O)CCSC1)c1c(F)cc(cc1F)[*:1]
O=C(NC[C@@]1(O)CCSC1)c1c(F)cc(OC(F)F)cc1F FC(F)[*:1] O=C(NC[C@@]1(O)CCSC1)c1c(F)cc(cc1F)O[*:1]
O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1nnc(o1)SCC(=O)[*:1])c1ccccc1
O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(NCc1nnc(o1)SC[*:1])c1ccccc1
O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(CNC(=O)[*:1])o1)c1ccccc1
COc1ccccc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] COc1ccccc1C(=O)Nc1ccc(C)c(c1)[*:1]
COc1ccccc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 COc1ccccc1[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)[*:1]
Cc1noc(C)c1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1C(=O)NC[C@@H]1CCN(C1)[*:1]
Cc1noc(C)c1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 Cc1noc(C)c1[*:1] O=C(NC[C@@H]1CCN(C1)c1ccc(Cl)cc1)[*:1]
COc1ccc(CCCC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)CCCC(=O)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(CCCC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CCC[*:1])N1CCN(CC1)C(=O)Cc1ccccc1F
COc1ccc(CCCC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)CCCC(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(CCCC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(CC[*:1])N1CCN(CC1)C(=O)Cc1ccccc1F
C[C@@H](N[C@H](C)[C@@H](C)N1CCOCC1)c1ccccc1N(C)C C1CN(CCO1)[*:1] C[C@@H](N[C@H](C)[C@@H](C)[*:1])c1ccccc1N(C)C
C[C@@H](N[C@H](C)[C@@H](C)N1CCOCC1)c1ccccc1N(C)C CN(C)[*:1] C[C@@H](N[C@H](C)[C@@H](C)N1CCOCC1)c1ccccc1[*:1]
CC(C)(C)OC(=O)Nn1c(Br)ccc1C=O CC(C)(C)[*:1] O=Cc1ccc(Br)n1NC(=O)O[*:1]
O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cc2c(F)cccc2s1 O=C1CNC(=O)N1C[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2c(F)cccc2s1
O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cc2c(F)cccc2s1 O=C1CNC(=O)N1[*:1] O=C(Nc1cccc(c1)C[*:1])c1cc2c(F)cccc2s1
COC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H](NC(=O)NC(C)C)CN1C(=O)CSC CC(C)NC(=O)N[*:1] COC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H](CN1C(=O)CSC)[*:1]
COC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H](NC(=O)NC(C)C)CN1C(=O)CSC COC(=O)[*:1] CSCC(=O)N1C[C@H](C[C@H]1C(=O)N1CCC[C@@H]1[*:1])NC(=O)NC(C)C
COC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H](NC(=O)NC(C)C)CN1C(=O)CSC CSC[*:1] COC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](CN1C(=O)[*:1])NC(=O)NC(C)C
COC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H](NC(=O)NC(C)C)CN1C(=O)CSC CC(C)[*:1] COC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](CN1C(=O)CSC)NC(=O)N[*:1]
Cc1noc(C)c1CCNC(=O)NC[C@]1(C)CCCc2ccccc21 Cc1noc(C)c1[*:1] C[C@]1(CCCc2ccccc21)CNC(=O)NCC[*:1]
Cc1noc(C)c1CCNC(=O)NC[C@]1(C)CCCc2ccccc21 Cc1noc(C)c1C[*:1] C[C@]1(CCCc2ccccc21)CNC(=O)NC[*:1]
CC(=O)Nc1ccc(NC(=O)N(C)CCC(C)C)c(Cl)c1 CC(=O)N[*:1] CC(C)CCN(C)C(=O)Nc1ccc(cc1Cl)[*:1]
CC(=O)Nc1ccc(NC(=O)N(C)CCC(C)C)c(Cl)c1 CC(C)C[*:1] CC(=O)Nc1ccc(NC(=O)N(C)C[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)N(C)CCC(C)C)c(Cl)c1 CC(C)CC[*:1] CC(=O)Nc1ccc(NC(=O)N(C)[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)N(C)CCC(C)C)c(Cl)c1 CC(C)[*:1] CC(=O)Nc1ccc(NC(=O)N(C)CC[*:1])c(Cl)c1
CCOC(=O)c1c(C)n(C)c2ccc(OC)c(/N=C/c3c([O-])[nH]c(=O)[nH]c3=O)c12 CCOC(=O)[*:1] COc1ccc2c(c1/N=C/c1c([O-])[nH]c(=O)[nH]c1=O)c(c(C)n2C)[*:1]
CC[C@H](CSC)N(C)Cc1cc(F)ccc1[N+](=O)[O-] CSC[*:1] CC[C@H](N(C)Cc1cc(F)ccc1[N+](=O)[O-])[*:1]
CC[C@H](CSC)N(C)Cc1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H](CSC)N(C)Cc1cc(F)ccc1[*:1]
CCN(CC)C(=O)CNc1ccc(Cl)cc1C(N)=O NC(=O)[*:1] CCN(CC)C(=O)CNc1ccc(Cl)cc1[*:1]
CCCNC(=O)[C@H](C)NC(=O)/C=C(/C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCNC(=O)[C@H](C)NC(=O)C=C(C)[*:1]
CCCNC(=O)[C@H](C)NC(=O)/C=C(/C)c1ccc(F)cc1 CCC[*:1] C/C(=C/C(=O)N[C@@H](C)C(=O)N[*:1])c1ccc(F)cc1
CCCNC(=O)[C@H](C)NC(=O)/C=C(/C)c1ccc(F)cc1 CCCNC(=O)[*:1] C/C(=C/C(=O)N[C@@H](C)[*:1])c1ccc(F)cc1
Cc1onc(-c2ccncn2)c1C(=O)N1CCCC1 c1cc(ncn1)[*:1] Cc1onc(c1C(=O)N1CCCC1)[*:1]
COc1ccc(CNC(=O)CCSC2=NC(Cl)=N[C@H]3N=CN=C23)cc1 COc1ccc(cc1)[*:1] O=C(CCSC1=NC(Cl)=N[C@H]2N=CN=C12)NC[*:1]
CC[C@@H]1CCCC[C@@H]1NC(=O)CCn1cc(C)cn1 Cc1cnn(c1)[*:1] CC[C@@H]1CCCC[C@@H]1NC(=O)CC[*:1]
Cc1cc(=O)c(C(=O)NCC(=O)Nc2cccnc2)nn1-c1cccc(C(F)(F)F)c1 O=C(C[*:1])Nc1cccnc1 Cc1cc(=O)c(nn1-c1cccc(c1)C(F)(F)F)C(=O)N[*:1]
Cc1cc(=O)c(C(=O)NCC(=O)Nc2cccnc2)nn1-c1cccc(C(F)(F)F)c1 c1cncc(c1)[*:1] Cc1cc(=O)c(nn1-c1cccc(c1)C(F)(F)F)C(=O)NCC(=O)N[*:1]
Cc1cc(=O)c(C(=O)NCC(=O)Nc2cccnc2)nn1-c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(=O)c(nn1-c1cccc(c1)[*:1])C(=O)NCC(=O)Nc1cccnc1
Cc1cc(=O)c(C(=O)NCC(=O)Nc2cccnc2)nn1-c1cccc(C(F)(F)F)c1 O=C(Nc1cccnc1)[*:1] Cc1cc(=O)c(nn1-c1cccc(c1)C(F)(F)F)C(=O)NC[*:1]
Cc1cc(=O)c(C(=O)NCC(=O)Nc2cccnc2)nn1-c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] Cc1cc(=O)c(nn1[*:1])C(=O)NCC(=O)Nc1cccnc1
Cc1cc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ncn1 Cc1cc(ncn1)[*:1] O=C(CS[*:1])Nc1cc(ccc1Cl)C(F)(F)F
Cc1cc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ncn1 FC(F)(F)[*:1] Cc1cc(ncn1)SCC(=O)Nc1cc(ccc1Cl)[*:1]
COCCN1C(=O)CS/C1=N\c1cc(C)ccc1OC(F)F FC(F)[*:1] COCCN1C(=O)CS/C1=N\c1cc(C)ccc1O[*:1]
COCCN1C(=O)CS/C1=N\c1cc(C)ccc1OC(F)F COC[*:1] Cc1ccc(OC(F)F)c(c1)/N=C1\SCC(=O)N1C[*:1]
COCCN1C(=O)CS/C1=N\c1cc(C)ccc1OC(F)F COCC[*:1] Cc1ccc(OC(F)F)c(c1)/N=C1\SCC(=O)N1[*:1]
COCCN1C(=O)CS/C1=N\c1cc(C)ccc1OC(F)F FC(F)O[*:1] COCCN1C(=O)CS/C1=N\c1cc(C)ccc1[*:1]
CCc1nc(-c2cccnc2)nc(NCC2CC[NH2+]CC2)c1C c1cncc(c1)[*:1] CCc1nc(nc(NCC2CC[NH2+]CC2)c1C)[*:1]
CO[C@]1(C)C[C@@H](N(C)C(=O)CNC(=O)c2cccc(F)c2)C1(C)C Fc1cccc(c1)[*:1] CO[C@]1(C)C[C@@H](N(C)C(=O)CNC(=O)[*:1])C1(C)C
COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(N)=[NH2+])CCC2 COC(=O)[*:1] Cc1c(oc2CCC/C(=N\NC(N)=[NH2+])c21)C(=O)N(C)c1ccccc1[*:1]
CCOc1cccc([C@H](C)NS(=O)(=O)c2cc(F)ccc2F)c1 CCO[*:1] C[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1cccc(c1)[*:1]
Cc1cc(C)c(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C)c1 O=[N+]([O-])[*:1] Cc1cc(C)c(C(=O)Nc2nc(cs2)-c2ccc(cc2)[*:1])c(C)c1
CC1([C@@](C)(CO)Nc2ccc(Cl)cc2)CC1 CC1(CC1)[*:1] C[C@@](CO)(Nc1ccc(Cl)cc1)[*:1]
C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1nccs1 C[C@@H](c1nccs1)[*:1] FC(F)(F)COc1ccc(cn1)CN[*:1]
C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1nccs1 FC(F)(F)C[*:1] C[C@@H](NCc1ccc(nc1)O[*:1])c1nccs1
C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1nccs1 FC(F)(F)[*:1] C[C@@H](NCc1ccc(nc1)OC[*:1])c1nccs1
C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1nccs1 c1csc(n1)[*:1] C[C@@H](NCc1ccc(nc1)OCC(F)(F)F)[*:1]
C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1nccs1 FC(F)(F)CO[*:1] C[C@@H](NCc1ccc(nc1)[*:1])c1nccs1
O=C(COc1ccccc1F)NNC(=O)Cc1cccc2ccccc12 Fc1ccccc1O[*:1] O=C(Cc1cccc2ccccc12)NNC(=O)C[*:1]
O=C(COc1ccccc1F)NNC(=O)Cc1cccc2ccccc12 Fc1ccccc1[*:1] O=C(CO[*:1])NNC(=O)Cc1cccc2ccccc12
O=C(C(=O)N1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1)N1CCCC1 Clc1ccccc1[*:1] O=C(C(=O)N1CCN(CC1)C(=O)c1cc(nc2ccccc12)[*:1])N1CCCC1
C[C@H](/C(N)=N/O)N(C)C(=O)c1c(F)cc(Br)cc1F N/C(=N\O)[*:1] C[C@H](N(C)C(=O)c1c(F)cc(Br)cc1F)[*:1]
CN(c1ccsc1C(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CN(c1ccsc1C(=O)NC[*:1])S(=O)(=O)c1ccc(Cl)cc1
CN(c1ccsc1C(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(c1ccsc1C(=O)NCc1ccccc1)S(=O)(=O)[*:1]
CN(c1ccsc1C(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] CN(c1ccsc1C(=O)N[*:1])S(=O)(=O)c1ccc(Cl)cc1
C[C@@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/C3CCCCC3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 C(=NC1CCCCC1)[*:1] C[C@@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34[*:1])[C@]1(O)CC[C@@H]2C1=CC(=O)OC1
C[C@@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/C3CCCCC3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 C1CCC(CC1)[*:1] C[C@@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C=N[*:1])[C@]1(O)CC[C@@H]2C1=CC(=O)OC1
O=C(NCc1ccc(F)cc1)C(=O)Nc1cccc2cnccc12 Fc1ccc(cc1)[*:1] O=C(NC[*:1])C(=O)Nc1cccc2cnccc12
O=C(NCc1ccc(F)cc1)C(=O)Nc1cccc2cnccc12 Fc1ccc(cc1)C[*:1] O=C(Nc1cccc2cnccc12)C(=O)N[*:1]
Cc1cccc(/C=C2\Sc3ccc(C(=O)N4CCOCC4)cc3N(C)C2=O)c1 O=C(N1CCOCC1)[*:1] Cc1cccc(/C=C2\Sc3ccc(cc3N(C)C2=O)[*:1])c1
Cc1cccc(/C=C2\Sc3ccc(C(=O)N4CCOCC4)cc3N(C)C2=O)c1 Cc1cccc(c1)[*:1] CN1C(=O)C(=C[*:1])Sc2ccc(cc21)C(=O)N1CCOCC1
CCC[C@H](C[NH3+])Nc1nc2ccc([N+](=O)[O-])cc2o1 O=[N+]([O-])[*:1] CCC[C@H](C[NH3+])Nc1nc2ccc(cc2o1)[*:1]
CCC[C@H](C[NH3+])Nc1nc2ccc([N+](=O)[O-])cc2o1 CCC[*:1] [NH3+]C[C@H](Nc1nc2ccc(cc2o1)[N+](=O)[O-])[*:1]
O=C1CC[C@H](C(=O)NCc2cccc(OCC(F)F)n2)CN1 FC(F)CO[*:1] O=C1CC[C@@H](CN1)C(=O)NCc1cccc(n1)[*:1]
O=C1CC[C@H](C(=O)NCc2cccc(OCC(F)F)n2)CN1 FC(F)C[*:1] O=C1CC[C@@H](CN1)C(=O)NCc1cccc(n1)O[*:1]
O=C1CC[C@H](C(=O)NCc2cccc(OCC(F)F)n2)CN1 O=C1CC[C@H](CN1)[*:1] O=C(NCc1cccc(n1)OCC(F)F)[*:1]
O=C1CC[C@H](C(=O)NCc2cccc(OCC(F)F)n2)CN1 FC(F)[*:1] O=C1CC[C@@H](CN1)C(=O)NCc1cccc(n1)OC[*:1]
CCCCN(C)C(=O)c1cn(Cc2cccnc2)nn1 CCC[*:1] CN(C[*:1])C(=O)c1cn(Cc2cccnc2)nn1
CCCCN(C)C(=O)c1cn(Cc2cccnc2)nn1 CCCC[*:1] CN(C(=O)c1cn(Cc2cccnc2)nn1)[*:1]
CCCCN(C)C(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)[*:1] CCCCN(C)C(=O)c1cn(C[*:1])nn1
N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 NC(=O)[*:1] N#Cc1ccccc1COc1ccc(cc1)C(=O)N1CCC[C@@H](C1)[*:1]
N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 N#Cc1ccccc1[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)OC[*:1]
N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 N#Cc1ccccc1C[*:1] NC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)O[*:1]
Cc1n[nH]c(C)c1CCOC(=O)[C@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] Cc1n[nH]c(C)c1CCOC(=O)[C@H](C)[*:1]
Cc1n[nH]c(C)c1CCOC(=O)[C@H](C)c1c(C)noc1C Cc1n[nH]c(C)c1[*:1] Cc1noc(C)c1[C@@H](C)C(=O)OCC[*:1]
CC(C)Cc1nnc(SCC(=O)Nc2cccc3ccccc23)n1C CC(C)[*:1] Cn1c(C[*:1])nnc1SCC(=O)Nc1cccc2ccccc12
CC(C)Cc1nnc(SCC(=O)Nc2cccc3ccccc23)n1C CC(C)C[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1cccc2ccccc12
Cn1ccnc1COc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 Cn1ccnc1C[*:1] C[C@]1(CC1(Cl)Cl)C(=O)Nc1ccc(cc1)O[*:1]
Cn1ccnc1COc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 Cn1ccnc1[*:1] C[C@]1(CC1(Cl)Cl)C(=O)Nc1ccc(cc1)OC[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)ccc21 CC(C)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)NCc1ccc(cc1)O[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)ccc21 CC(C)O[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)NCc1ccc(cc1)[*:1]
COCc1ccc(C[NH+]2CCOc3c(cc(-c4cnc5ccccc5c4)cc3OC)C2)o1 c1ccc2ncc(cc2c1)[*:1] COCc1ccc(C[NH+]2CCOc3c(cc(cc3OC)[*:1])C2)o1
COCc1ccc(C[NH+]2CCOc3c(cc(-c4cnc5ccccc5c4)cc3OC)C2)o1 COCc1ccc(o1)[*:1] COc1cc(cc2C[NH+](CCOc21)C[*:1])-c1cnc2ccccc2c1
COCc1ccc(C[NH+]2CCOc3c(cc(-c4cnc5ccccc5c4)cc3OC)C2)o1 COC[*:1] COc1cc(cc2C[NH+](CCOc21)Cc1ccc(o1)[*:1])-c1cnc2ccccc2c1
Cn1cc(C#N)cc1C(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 c1ccc(cc1)[*:1] Cn1cc(C#N)cc1C(=O)N(Cc1ccc2OCOc2c1)[*:1]
Cn1cc(C#N)cc1C(=O)N(Cc1ccc2c(c1)OCO2)c1ccccc1 c1cc2OCOc2cc1[*:1] Cn1cc(C#N)cc1C(=O)N(C[*:1])c1ccccc1
CC1=NC2=NC(NCc3ccco3)=[NH+][C@@H]([C@H]3CC=CCC3)N2C([O-])=C1 c1coc(c1)C[*:1] CC1C=C([O-])N2C(N=1)=NC(N[*:1])=[NH+][C@H]2[C@H]1CC=CCC1
CC1=NC2=NC(NCc3ccco3)=[NH+][C@@H]([C@H]3CC=CCC3)N2C([O-])=C1 c1coc(c1)[*:1] CC1C=C([O-])N2C(N=1)=NC(NC[*:1])=[NH+][C@H]2[C@H]1CC=CCC1
COCc1cc(C[NH+]2CCC(CC(=O)[O-])CC2)no1 O=C([O-])[*:1] COCc1cc(C[NH+]2CCC(CC2)C[*:1])no1
COCc1cc(C[NH+]2CCC(CC(=O)[O-])CC2)no1 O=C([O-])C[*:1] COCc1cc(C[NH+]2CCC(CC2)[*:1])no1
COCc1cc(C[NH+]2CCC(CC(=O)[O-])CC2)no1 COC[*:1] O=C([O-])CC1CC[NH+](CC1)Cc1cc(on1)[*:1]
Cn1c(C[NH2+]Cc2ncc(-c3ccccc3)s2)cc(Cl)c1Cl c1ccc(cc1)[*:1] Cn1c(cc(Cl)c1Cl)C[NH2+]Cc1ncc(s1)[*:1]
CO[C@@H](C)c1cccc(NC(=O)c2ccc(-c3cscn3)cc2)c1 CO[C@@H](C)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(cc1)-c1cscn1
CO[C@@H](C)c1cccc(NC(=O)c2ccc(-c3cscn3)cc2)c1 c1nc(cs1)[*:1] CO[C@@H](C)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
Cc1cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)[*:1])c(C)n1C1CC1
Cc1cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c(C)n1C1CC1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1cc(C(=O)N(C2CC2)[*:1])c(C)n1C1CC1
Cc1cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c(C)n1[*:1]
Cn1cc(Br)cc(NC(=O)NCCc2cccs2)c1=O c1csc(c1)C[*:1] Cn1cc(Br)cc(NC(=O)NC[*:1])c1=O
Cn1cc(Br)cc(NC(=O)NCCc2cccs2)c1=O c1csc(c1)[*:1] Cn1cc(Br)cc(NC(=O)NCC[*:1])c1=O
Cc1cc(C)cc(CS[C@H](C)CNCC(F)(F)F)c1 FC(F)(F)[*:1] Cc1cc(C)cc(c1)CS[C@H](C)CNC[*:1]
Cc1cc(C)cc(CS[C@H](C)CNCC(F)(F)F)c1 FC(F)(F)CN[*:1] Cc1cc(C)cc(c1)CS[C@H](C)C[*:1]
Cc1cc(C)cc(CS[C@H](C)CNCC(F)(F)F)c1 FC(F)(F)C[*:1] Cc1cc(C)cc(c1)CS[C@H](C)CN[*:1]
COc1ccccc1/C=C/C=C1\N=C(c2c(-c3ccccc3)noc2C)OC1=O COc1ccccc1[*:1] Cc1onc(-c2ccccc2)c1C1=N/C(=C\C=C[*:1])C(=O)O1
COc1ccccc1/C=C/C=C1\N=C(c2c(-c3ccccc3)noc2C)OC1=O c1ccc(cc1)[*:1] COc1ccccc1/C=C/C=C1\N=C(OC1=O)c1c(noc1C)[*:1]
C[C@H](C(=O)N1CCC[C@H]1c1cnn(C)c1)n1c(=O)oc2ccccc21 Cn1cc(cn1)[*:1] C[C@H](C(=O)N1CCC[C@@H]1[*:1])n1c(=O)oc2ccccc21
COc1ccc(C(=O)Nc2cc(N3CCCC3)ncn2)c(OC)c1 C1CCN(C1)[*:1] COc1ccc(C(=O)Nc2cc(ncn2)[*:1])c(c1)OC
CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)[O-] O=C([O-])[*:1] CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@@H](C[C@H]1C[*:1])C(C)C
CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)[O-] CC(C)[*:1] CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@H](C[C@H]1CC(=O)[O-])[*:1]
CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)[O-] O=C([O-])C[*:1] CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@@H](C[C@@H]1[*:1])C(C)C
CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)[O-] c1ccc(cc1)[*:1] CC1=C[C@@H](CNS(=O)(=O)[*:1])[C@@H](C[C@H]1CC(=O)[O-])C(C)C
CCCc1nc(NCc2ccncc2)c2c(n1)c(C)nn2CC c1cc(ccn1)[*:1] CCCc1nc(NC[*:1])c2c(n1)c(C)nn2CC
CCCc1nc(NCc2ccncc2)c2c(n1)c(C)nn2CC CCC[*:1] CCn1nc(C)c2nc(nc(NCc3ccncc3)c21)[*:1]
CCCc1nc(NCc2ccncc2)c2c(n1)c(C)nn2CC c1cc(ccn1)C[*:1] CCCc1nc(N[*:1])c2c(n1)c(C)nn2CC
CCC(=O)Nc1sc(C(=O)N2CCOCC2)c(C)c1C(=O)OC COC(=O)[*:1] CCC(=O)Nc1sc(C(=O)N2CCOCC2)c(C)c1[*:1]
CCC(=O)Nc1sc(C(=O)N2CCOCC2)c(C)c1C(=O)OC CCC(=O)N[*:1] COC(=O)c1c(sc(C(=O)N2CCOCC2)c1C)[*:1]
COc1ccccc1-c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C COc1ccccc1[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(n1C)[*:1]
C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 CC(C)(C)[*:1] C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1cnc(nc1)[*:1]
CC(C)C[C@@H]1C[NH2+]CC[C@@H]1c1ccc2c(c1)CCO2 CC(C)C[*:1] c1cc2OCCc2cc1[C@H]1CC[NH2+]C[C@H]1[*:1]
CC(C)C[C@@H]1C[NH2+]CC[C@@H]1c1ccc2c(c1)CCO2 CC(C)[*:1] c1cc2OCCc2cc1[C@H]1CC[NH2+]C[C@H]1C[*:1]
C1C[C@@H]2CCCN(c3nc(C4CC4)ns3)[C@@H]2C1 C1CC1[*:1] C1C[C@@H]2CCCN(c3nc(ns3)[*:1])[C@@H]2C1
O=S(=O)(C[C@H]1CCCCO1)/N=C(\[O-])c1scnc1C1CC1 C1CC[C@@H](OC1)[*:1] O=S(=O)(C[*:1])/N=C(\[O-])c1scnc1C1CC1
O=S(=O)(C[C@H]1CCCCO1)/N=C(\[O-])c1scnc1C1CC1 C1CC1[*:1] O=S(=O)(C[C@H]1CCCCO1)/N=C(\[O-])c1scnc1[*:1]
O=S(=O)(C[C@H]1CCCCO1)/N=C(\[O-])c1scnc1C1CC1 C1CC[C@H](C[*:1])OC1 O=S(=O)(/N=C(\[O-])c1scnc1C1CC1)[*:1]
CCOc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CCOc1cc(ccc1O[*:1])[C@@H]1[NH2+][C@@H](CS1)C(=O)[O-]
CCOc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOc1cc(ccc1OC[*:1])[C@@H]1[NH2+][C@@H](CS1)C(=O)[O-]
CCOc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)ccc1OCc1ccc(Cl)cc1 CCO[*:1] O=C([O-])[C@@H]1CS[C@@H]([NH2+]1)c1ccc(OCc2ccc(Cl)cc2)c(c1)[*:1]
CC(C)Oc1ncnc(N[C@H]2CCC[C@@H](C)C2)c1N CC(C)[*:1] C[C@@H]1CCC[C@@H](C1)Nc1ncnc(O[*:1])c1N
CC(C)Oc1ncnc(N[C@H]2CCC[C@@H](C)C2)c1N CC(C)O[*:1] C[C@@H]1CCC[C@@H](C1)Nc1ncnc(c1N)[*:1]
CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc(C)c(Cl)c1
O=C1NC(=O)C(CCc2ccncc2)(Cc2cccs2)C(=O)N1 c1csc(c1)[*:1] O=C1NC(=O)C(CCc2ccncc2)(C[*:1])C(=O)N1
O=C1NC(=O)C(CCc2ccncc2)(Cc2cccs2)C(=O)N1 c1cc(ccn1)[*:1] O=C1NC(=O)C(CC[*:1])(Cc2cccs2)C(=O)N1
O=C1NC(=O)C(CCc2ccncc2)(Cc2cccs2)C(=O)N1 c1csc(c1)C[*:1] O=C1NC(=O)C(CCc2ccncc2)(C(=O)N1)[*:1]
O=C1NC(=O)C(CCc2ccncc2)(Cc2cccs2)C(=O)N1 c1cc(ccn1)C[*:1] O=C1NC(=O)C(Cc2cccs2)(C[*:1])C(=O)N1
CCCC[C@@]1(C(C)(C)C)CCC[NH2+]1 CCCC[*:1] CC(C)(C)[C@]1(CCC[NH2+]1)[*:1]
CCCC[C@@]1(C(C)(C)C)CCC[NH2+]1 CC(C)(C)[*:1] CCCC[C@]1(CCC[NH2+]1)[*:1]
CCCC[C@@]1(C(C)(C)C)CCC[NH2+]1 CCC[*:1] CC(C)(C)[C@@]1(CCC[NH2+]1)C[*:1]
C[C@@H]1CCCN(C(=O)c2ccncc2/C=C/C(=O)[O-])[C@@H]1C O=C([O-])C=C[*:1] C[C@@H]1CCCN(C(=O)c2ccncc2[*:1])[C@@H]1C
C[C@@H]1CCCN(C(=O)c2ccncc2/C=C/C(=O)[O-])[C@@H]1C O=C([O-])[*:1] C[C@@H]1CCCN(C(=O)c2ccncc2C=C[*:1])[C@@H]1C
O=C1OCCN1c1cccc2c1CC[NH+](Cc1cnn3c1NCCC3)C2 O=C1OCCN1[*:1] c1cc2C[NH+](CCc2c(c1)[*:1])Cc1cnn2CCCNc12
CC1(C)CN(C(=O)c2cc[nH]n2)CCO1 c1cc(n[nH]1)[*:1] CC1(C)CN(CCO1)C(=O)[*:1]
CC[NH+]1CCN(C2=NC(=O)C[C@H](C(=O)Nc3ccccc3)N2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)C1=NC(=O)C[C@@H](N1)C(=O)N[*:1]
C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1cccc(-n2cncn2)c1 CN(C)[*:1] C[C@@H]([NH2+][C@H](C)c1ccccc1[*:1])c1cccc(c1)-n1cncn1
C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1cccc(-n2cncn2)c1 c1ncn(n1)[*:1] C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)c1cccc(c1)[*:1]
COc1ccccc1OCC(=O)N(C)Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1ccccc1OCC(=O)N(C)C[*:1]
Cc1ccccc1NC(=O)C[C@H]1SC(=N)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C[C@H]1SC(=N)N(C1=O)[*:1]
Cc1ccccc1NC(=O)C[C@H]1SC(=N)N(c2ccccc2)C1=O Cc1ccccc1[*:1] N=C1S[C@H](CC(=O)N[*:1])C(=O)N1c1ccccc1
C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 C[C@H]1CCCC[C@H]1[*:1] CN(C(=O)[C@@H]1CC(=O)N(C1)[C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H]1CC(C(=O)Nc2cc(-c3nncn3C)ccn2)C[C@@H](C)O1 Cn1cnnc1[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1cc(ccn1)[*:1]
CCC[C@H](CCO)CNC(=O)c1cc(F)c(Cl)cc1Cl CCC[*:1] O=C(NC[C@@H](CCO)[*:1])c1cc(F)c(Cl)cc1Cl
CCC[C@H](CCO)CNC(=O)c1cc(F)c(Cl)cc1Cl OCC[*:1] CCC[C@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)[*:1]
CCC[C@H]1C[C@@H]1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O CC(C)[*:1] CCC[C@H]1C[C@@H]1NC(=O)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CCC[C@H]1C[C@@H]1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O CCC[*:1] CC(C)[C@H](C(=O)N[C@H]1C[C@@H]1[*:1])N1C(=O)c2ccccc2C1=O
CSc1ccc(CNC(=O)c2cccn3c(=O)c4ccccc4nc23)cc1 CSc1ccc(cc1)C[*:1] O=C(N[*:1])c1cccn2c(=O)c3ccccc3nc12
CSc1ccc(CNC(=O)c2cccn3c(=O)c4ccccc4nc23)cc1 CSc1ccc(cc1)[*:1] O=C(NC[*:1])c1cccn2c(=O)c3ccccc3nc12
CCO[C@H](C)c1nc(CSc2cccc[n+]2[O-])cs1 CCO[*:1] C[C@H](c1nc(cs1)CSc1cccc[n+]1[O-])[*:1]
CCO[C@H](C)c1nc(CSc2cccc[n+]2[O-])cs1 CCO[C@H](C)[*:1] [O-][n+]1ccccc1SCc1csc(n1)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@@H]1C=C(c2ccncc2)N=N1 c1cc(ccn1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H]1C=C(N=N1)[*:1]
CS(=O)(=O)N1CC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)Oc2ccc(Cl)cc21 c1cc2OCOc2cc1[*:1] CS(=O)(=O)N1CC[C@H](Oc2ccc(Cl)cc21)C(=O)NC[*:1]
CCOc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O FC(F)(F)[*:1] CCOc1cc(Br)cc(/C=N/c2cc(ccc2N2CCOCC2)[*:1])c1O
CCOc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O CCO[*:1] Oc1c(/C=N/c2cc(ccc2N2CCOCC2)C(F)(F)F)cc(Br)cc1[*:1]
CCOc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O C1CN(CCO1)[*:1] CCOc1cc(Br)cc(/C=N/c2cc(ccc2[*:1])C(F)(F)F)c1O
N#CCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 N#CCC(=O)NN=C[*:1] Fc1ccc(cc1)COc1ccc(cc1Br)[*:1]
N#CCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 N#CC[*:1] O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)[*:1]
N#CCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 Fc1ccc(cc1)C[*:1] N#CCC(=O)N/N=C/c1ccc(O[*:1])c(Br)c1
N#CCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 Fc1ccc(cc1)[*:1] N#CCC(=O)N/N=C/c1ccc(OC[*:1])c(Br)c1
Cn1cc(C(=O)N2CCCN(c3ccccc3)CC2)c2cccnc21 c1ccc(cc1)[*:1] Cn1cc(C(=O)N2CCCN(CC2)[*:1])c2cccnc21
N#Cc1ccnc(N2CCN(Cn3nccc3-c3ccncc3)CC2)c1 c1cc(ccn1)[*:1] N#Cc1ccnc(c1)N1CCN(CC1)Cn1nccc1[*:1]
N#Cc1ccnc(N2CCN(Cn3nccc3-c3ccncc3)CC2)c1 N#Cc1ccnc(c1)[*:1] c1cc(ccn1)-c1ccnn1CN1CCN(CC1)[*:1]
CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc(F)c1 CS(=O)(=O)N[*:1] CCS(=O)(=O)N1N=C(C[C@H]1c1cccc(F)c1)c1cccc(c1)[*:1]
CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CCS(=O)(=O)N1N=C(C[C@@H]1[*:1])c1cccc(c1)NS(C)(=O)=O
CC[C@@H](C(=O)O[C@@H](C)[C@H]1CCCO1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)O[C@@H](C)[C@H]1CCCO1)[*:1]
CC[C@@H](C(=O)O[C@@H](C)[C@H]1CCCO1)c1ccccc1 C1CO[C@H](C1)[*:1] CC[C@@H](C(=O)O[C@@H](C)[*:1])c1ccccc1
CC(C)c1ccc(SCC(=O)N2CCCC[C@@H]2C)cc1 CC(C)[*:1] C[C@H]1CCCCN1C(=O)CSc1ccc(cc1)[*:1]
Cc1ccc(OCC(=O)N/N=C/CCc2ccccc2)c(Br)c1 c1ccc(cc1)[*:1] Cc1ccc(OCC(=O)N/N=C/CC[*:1])c(Br)c1
Cc1ccc(OCC(=O)N/N=C/CCc2ccccc2)c(Br)c1 c1ccc(cc1)C[*:1] Cc1ccc(OCC(=O)N/N=C/C[*:1])c(Br)c1
CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)[*:1]
CCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(CCO)CC1 CCC[*:1] Cc1cc(O[*:1])c(cc1C)S(=O)(=O)N1CCN(CCO)CC1
CCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(CCO)CC1 OCC[*:1] CCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(CC1)[*:1]
CCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(CCO)CC1 CCCO[*:1] Cc1cc(c(cc1C)[*:1])S(=O)(=O)N1CCN(CCO)CC1
Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(Cl)c2)on1 Clc1cccc(c1)[*:1] Cc1cc(on1)-c1c(C)sc(C)c1S(=O)(=O)[N-][*:1]
Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(Cl)c2)on1 Cc1cc(on1)[*:1] Cc1sc(C)c(c1S(=O)(=O)[N-]c1cccc(Cl)c1)[*:1]
CNC(=O)C1CC[NH+](Cc2cccc3ccccc23)CC1 CNC(=O)[*:1] c1ccc2c(cccc2c1)C[NH+]1CCC(CC1)[*:1]
O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)NCc1ccc(F)c(Cl)c1 Fc1ccccc1[*:1] O=C(Cn1c(=O)n(C[*:1])c(=O)c2sccc21)NCc1ccc(F)c(Cl)c1
O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)NCc1ccc(F)c(Cl)c1 Fc1ccccc1C[*:1] O=C(Cn1c(=O)n(c(=O)c2sccc21)[*:1])NCc1ccc(F)c(Cl)c1
O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)NCc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)C[*:1] O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)N[*:1]
O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)NCc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)NC[*:1]
CC[C@@H]1CCC[C@](O)(C=C(C)C)CC1 CC(C)=C[*:1] CC[C@@H]1CCC[C@](O)(CC1)[*:1]
CCc1nnc2n1CCN(C(=O)c1ccccc1Cc1ccccc1)C2 c1ccc(cc1)[*:1] CCc1nnc2CN(CCn12)C(=O)c1ccccc1C[*:1]
CCc1nnc2n1CCN(C(=O)c1ccccc1Cc1ccccc1)C2 c1ccc(cc1)C[*:1] CCc1nnc2CN(CCn12)C(=O)c1ccccc1[*:1]
CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(-c2ncon2)c1 c1nc(no1)[*:1] CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
CCOc1ccc2c(c1)C[NH+](Cn1ccc(=S)c3ccccc31)CC2 CCO[*:1] S=c1ccn(C[NH+]2CCc3ccc(cc3C2)[*:1])c2ccccc12
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCCCO)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc3n(CCCCO)c(cn23)[*:1])n(C)c1=O
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCCCO)cc1 OCCC[*:1] COc1ccc(cc1)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1C[*:1]
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCCCO)cc1 OCCCC[*:1] COc1ccc(cc1)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1[*:1]
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCCCO)cc1 OCC[*:1] COc1ccc(cc1)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CC[*:1]
Cc1nc(C)c(C(=O)NNC(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)NNC(=O)[*:1]
CN(c1nc(Br)cs1)C1CC1 C1CC1[*:1] CN(c1nc(Br)cs1)[*:1]
COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(Cl)cc2c1OCOC2 COC(=O)[*:1] Clc1cc2COCOc2c(c1)CN1[C@H]2CCCC[C@@H]2C[C@@H]1[*:1]
CCCN(C(C)C)[C@H](C[NH3+])CC(N)=O NC(=O)[*:1] CCCN(C(C)C)[C@H](C[NH3+])C[*:1]
CCCN(C(C)C)[C@H](C[NH3+])CC(N)=O CCC[*:1] CC(C)N([C@H](C[NH3+])CC(N)=O)[*:1]
CCCN(C(C)C)[C@H](C[NH3+])CC(N)=O NC(=O)C[*:1] CCCN(C(C)C)[C@H](C[NH3+])[*:1]
CCCN(C(C)C)[C@H](C[NH3+])CC(N)=O CC(C)[*:1] CCCN([C@H](C[NH3+])CC(N)=O)[*:1]
Cc1ccc(/C=N/NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)o1 Clc1ccc(cc1)[*:1] Cc1ccc(/C=N/NC(=O)[C@H]2CCCN(C2)S(=O)(=O)[*:1])o1
Cc1ccc(/C=N/NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)o1 Cc1ccc(o1)[*:1] O=C(NN=C[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)cc1
O=C(NCc1ccccn1)c1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] O=C(NCc1ccccn1)c1cccc(c1)C[*:1]
O=C(NCc1ccccn1)c1cccc(Cn2cccn2)c1 c1ccc(C[*:1])nc1 O=C(N[*:1])c1cccc(c1)Cn1cccn1
O=C(NCc1ccccn1)c1cccc(Cn2cccn2)c1 c1ccc(nc1)[*:1] O=C(NC[*:1])c1cccc(c1)Cn1cccn1
O=C(NCc1ccccn1)c1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] O=C(NCc1ccccn1)c1cccc(c1)[*:1]
C[C@H]1COCCN1c1nc(C2CC2)ns1 C1CC1[*:1] C[C@H]1COCCN1c1nc(ns1)[*:1]
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(COC)on2)C1 COCc1cc(no1)[*:1] CCCCNC(=O)[C@@H]1CC[C@H](C)N(C1)C(=O)[*:1]
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(COC)on2)C1 CCCCNC(=O)[*:1] COCc1cc(no1)C(=O)N1C[C@@H](CC[C@@H]1C)[*:1]
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(COC)on2)C1 COC[*:1] CCCCNC(=O)[C@@H]1CC[C@H](C)N(C1)C(=O)c1cc(on1)[*:1]
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(COC)on2)C1 CCCC[*:1] COCc1cc(no1)C(=O)N1C[C@@H](CC[C@@H]1C)C(=O)N[*:1]
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(COC)on2)C1 CCC[*:1] COCc1cc(no1)C(=O)N1C[C@@H](CC[C@@H]1C)C(=O)NC[*:1]
O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 Clc1ccccc1[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 Clc1ccccc1C[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Br)s1)[*:1]
O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 Brc1ccc(s1)[*:1] O=C(Cc1ccccc1Cl)N1CCN(CC1)S(=O)(=O)[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)Nc2ccccc2OCC)CC1=O CCC[*:1] CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(C1)[C@H](C)[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)Nc2ccccc2OCC)CC1=O CCO[*:1] CCC[C@@H](C)N1C[C@H](CC1=O)C(=O)Nc1ccccc1[*:1]
CCC[C@@H](C)N1C[C@@H](C(=O)Nc2ccccc2OCC)CC1=O CCC[C@@H](C)[*:1] CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CCN(CC)C(=O)CSc1c(C)cnc2c1c(=O)n(C)c(=O)n2C CCN(CC)C(=O)[*:1] Cc1cnc2c(c1SC[*:1])c(=O)n(C)c(=O)n2C
CCN(CC)C(=O)CSc1c(C)cnc2c1c(=O)n(C)c(=O)n2C CCN(CC)C(=O)C[*:1] Cc1cnc2c(c1S[*:1])c(=O)n(C)c(=O)n2C
Cc1cccc(CNC(=O)NCc2ccnc(OCC(F)F)c2)c1 Cc1cccc(c1)C[*:1] O=C(NCc1ccnc(c1)OCC(F)F)N[*:1]
Cc1cccc(CNC(=O)NCc2ccnc(OCC(F)F)c2)c1 FC(F)CO[*:1] Cc1cccc(c1)CNC(=O)NCc1ccnc(c1)[*:1]
Cc1cccc(CNC(=O)NCc2ccnc(OCC(F)F)c2)c1 FC(F)C[*:1] Cc1cccc(c1)CNC(=O)NCc1ccnc(c1)O[*:1]
Cc1cccc(CNC(=O)NCc2ccnc(OCC(F)F)c2)c1 Cc1cccc(c1)[*:1] O=C(NCc1ccnc(c1)OCC(F)F)NC[*:1]
Cc1cccc(CNC(=O)NCc2ccnc(OCC(F)F)c2)c1 FC(F)[*:1] Cc1cccc(c1)CNC(=O)NCc1ccnc(c1)OC[*:1]
Cc1nn(C)cc1CN1C[C@H](c2ccccc2Cl)OC[C@@H]1C Clc1ccccc1[*:1] Cc1nn(C)cc1CN1C[C@H](OC[C@@H]1C)[*:1]
Cc1nn(C)cc1CN1C[C@H](c2ccccc2Cl)OC[C@@H]1C Cc1nn(C)cc1[*:1] C[C@H]1CO[C@H](CN1C[*:1])c1ccccc1Cl
Cc1csc([C@@H]2CCCN(Cc3cc4cnn(C(C)C)c4nc3Cl)C2)n1 Cc1csc(n1)[*:1] CC(C)n1ncc2cc(CN3CCC[C@H](C3)[*:1])c(Cl)nc21
Cc1csc([C@@H]2CCCN(Cc3cc4cnn(C(C)C)c4nc3Cl)C2)n1 CC(C)[*:1] Cc1csc(n1)[C@@H]1CCCN(Cc2cc3cnn(c3nc2Cl)[*:1])C1
CC(C)c1ccc(CNCCc2cscn2)cc1[N+](=O)[O-] c1nc(cs1)CC[*:1] CC(C)c1ccc(cc1[N+](=O)[O-])CN[*:1]
CC(C)c1ccc(CNCCc2cscn2)cc1[N+](=O)[O-] CC(C)[*:1] O=[N+]([O-])c1cc(ccc1[*:1])CNCCc1cscn1
CC(C)c1ccc(CNCCc2cscn2)cc1[N+](=O)[O-] c1nc(cs1)C[*:1] CC(C)c1ccc(cc1[N+](=O)[O-])CNC[*:1]
CC(C)c1ccc(CNCCc2cscn2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)c1ccc(cc1[*:1])CNCCc1cscn1
CC(C)c1ccc(CNCCc2cscn2)cc1[N+](=O)[O-] c1nc(cs1)[*:1] CC(C)c1ccc(cc1[N+](=O)[O-])CNCC[*:1]
O=C1C[C@@]2(CON=C2c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1C[C@@]2(CON=C2c2ccc(F)cc2)C(=O)N1[*:1]
O=C1C[C@@]2(CON=C2c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 Fc1ccc(cc1)[*:1] O=C1C[C@@]2(CON=C2[*:1])C(=O)N1c1ccc(Br)cc1
O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1 O=c1cc(c2ccccc2o1)[*:1] O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CC[NH+](CCN[*:1])CC1
O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1 Clc1ccc2[nH]cc(c2c1)[*:1] O=C([O-])[C@@H](N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1)[*:1]
O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1 O=C([O-])[*:1] O=c1cc(NCC[NH+]2CCN(CC2)[C@H](c2c[nH]c3ccc(Cl)cc23)[*:1])c2ccccc2o1
O=C1CCC2(CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)CN1CCCO C1CCc2c(n[nH]c2C1)[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1CCCO
O=C1CCC2(CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)CN1CCCO OCC[*:1] O=C1CCC2(CCN(CC2)C(=O)c2n[nH]c3CCCCc23)CN1C[*:1]
O=C1CCC2(CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)CN1CCCO OCCC[*:1] O=C(c1n[nH]c2CCCCc12)N1CCC2(CCC(=O)N(C2)[*:1])CC1
C[C@@H](NC(=O)c1ccccc1Cn1cccn1)c1cccc(C(F)(F)F)c1 c1cnn(c1)[*:1] C[C@@H](NC(=O)c1ccccc1C[*:1])c1cccc(c1)C(F)(F)F
C[C@@H](NC(=O)c1ccccc1Cn1cccn1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](NC(=O)c1ccccc1Cn1cccn1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)c1ccccc1Cn1cccn1)c1cccc(C(F)(F)F)c1 c1cnn(c1)C[*:1] C[C@@H](NC(=O)c1ccccc1[*:1])c1cccc(c1)C(F)(F)F
Cc1ccc(C(=O)N(CCC#N)Cc2ccccc2)cc1Br c1ccc(cc1)[*:1] Cc1ccc(cc1Br)C(=O)N(CCC#N)C[*:1]
Cc1ccc(C(=O)N(CCC#N)Cc2ccccc2)cc1Br N#CC[*:1] Cc1ccc(cc1Br)C(=O)N(Cc1ccccc1)C[*:1]
Cc1ccc(C(=O)N(CCC#N)Cc2ccccc2)cc1Br N#CCC[*:1] Cc1ccc(cc1Br)C(=O)N(Cc1ccccc1)[*:1]
Cc1ccc(C(=O)N(CCC#N)Cc2ccccc2)cc1Br c1ccc(cc1)C[*:1] Cc1ccc(cc1Br)C(=O)N(CCC#N)[*:1]
COc1ccccc1Cc1nnc(NC(=O)Cc2ccc(Br)cc2)s1 Brc1ccc(cc1)C[*:1] COc1ccccc1Cc1nnc(NC(=O)[*:1])s1
COc1ccccc1Cc1nnc(NC(=O)Cc2ccc(Br)cc2)s1 Brc1ccc(cc1)[*:1] COc1ccccc1Cc1nnc(NC(=O)C[*:1])s1
COc1ccccc1Cc1nnc(NC(=O)Cc2ccc(Br)cc2)s1 COc1ccccc1[*:1] O=C(Cc1ccc(Br)cc1)Nc1nnc(C[*:1])s1
C/C(=N/NC(=O)[C@@H](C)n1nnc2ccccc21)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(=NNC(=O)[C@@H](C)n1nnc2ccccc21)[*:1]
Cc1ccccc1CN(C)C(=O)CNc1ccc(C#N)cc1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)CNc1ccc(C#N)cc1
CO[C@@H]1CCCN(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)C1 Clc1ccccc1[*:1] CO[C@@H]1CCCN(C1)C(=O)Nc1nn(cc1C)[*:1]
CC(C)(C)NC(=O)c1cccc(NCC(=O)NC(N)=O)c1 NC(=O)NC(=O)C[*:1] CC(C)(C)NC(=O)c1cccc(c1)N[*:1]
CC(C)(C)NC(=O)c1cccc(NCC(=O)NC(N)=O)c1 CC(C)(C)[*:1] NC(=O)NC(=O)CNc1cccc(c1)C(=O)N[*:1]
CC(C)(C)NC(=O)c1cccc(NCC(=O)NC(N)=O)c1 CC(C)(C)NC(=O)[*:1] NC(=O)NC(=O)CNc1cccc(c1)[*:1]
CC(C)(C)NC(=O)c1cccc(NCC(=O)NC(N)=O)c1 NC(=O)NC(=O)[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC[*:1]
C[C@@H](CCCO)NS(=O)(=O)c1c(Cl)nc2sccn12 OCC[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1c(Cl)nc2sccn12
C[C@@H](CCCO)NS(=O)(=O)c1c(Cl)nc2sccn12 OCCC[*:1] C[C@@H](NS(=O)(=O)c1c(Cl)nc2sccn12)[*:1]
C[C@@H](CCCO)NS(=O)(=O)c1c(Cl)nc2sccn12 C[C@@H](CCCO)[*:1] O=S(=O)(N[*:1])c1c(Cl)nc2sccn12
CCc1ccc(-c2csc(NC(=O)c3cc(C)cc(C)n3)n2)cc1 Cc1cc(C)nc(c1)[*:1] CCc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
CCc1ccc(-c2csc(NC(=O)c3cc(C)cc(C)n3)n2)cc1 CCc1ccc(cc1)[*:1] Cc1cc(C)nc(c1)C(=O)Nc1nc(cs1)[*:1]
COC(=O)Nc1cccc(NC(=O)N[C@H](C)c2c(C)noc2C)c1 COC(=O)N[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cccc(c1)[*:1]
COC(=O)Nc1cccc(NC(=O)N[C@H](C)c2c(C)noc2C)c1 Cc1noc(C)c1[*:1] COC(=O)Nc1cccc(c1)NC(=O)N[C@H](C)[*:1]
O=C(CCCc1ncc(-c2ccccc2)o1)N1C[C@H]2CCC[C@@H]2C1 c1ccc(cc1)[*:1] O=C(CCCc1ncc(o1)[*:1])N1C[C@H]2CCC[C@@H]2C1
Cn1nc(-c2ccccc2)cc1C(=O)NCC1CCOCC1 C1CC(CCO1)[*:1] Cn1nc(cc1C(=O)NC[*:1])-c1ccccc1
Cn1nc(-c2ccccc2)cc1C(=O)NCC1CCOCC1 c1ccc(cc1)[*:1] Cn1nc(cc1C(=O)NCC1CCOCC1)[*:1]
Cn1nc(-c2ccccc2)cc1C(=O)NCC1CCOCC1 C1CC(CCO1)C[*:1] Cn1nc(cc1C(=O)N[*:1])-c1ccccc1
O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@@H]1[*:1]
O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(c1c[nH]c2cccc(F)c12)N1CCC[C@H]1C[*:1]
Cc1cccc2ncnc(N3CC[C@H](C(N)=O)C3)c12 NC(=O)[*:1] Cc1cccc2ncnc(c12)N1CC[C@H](C1)[*:1]
Cc1cnc([C@@H](C)NC(=O)C[C@H](O)c2cccc(F)c2)s1 Fc1cccc(c1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)C[C@H](O)[*:1]
Cc1cnc([C@@H](C)NC(=O)C[C@H](O)c2cccc(F)c2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)C[C@H](O)c1cccc(F)c1)[*:1]
O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(CSc1ncc(-c2ccccc2)n1[*:1])Nc1ccc2OCOc2c1
O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(CSc1ncc(n1-c1ccccc1)[*:1])Nc1ccc2OCOc2c1
O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)N[*:1]
COc1ccc(NC(=O)CSCC(=O)Nc2sccc2C#N)cc1 COc1ccc(cc1)[*:1] N#Cc1ccsc1NC(=O)CSCC(=O)N[*:1]
COc1ccc(NC(=O)CSCC(=O)Nc2sccc2C#N)cc1 N#Cc1ccsc1[*:1] COc1ccc(cc1)NC(=O)CSCC(=O)N[*:1]
O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(C2=NCCS2)C1=O O=C([O-])[*:1] O=C1C[C@@H](Sc2ccccc2[*:1])C(=O)N1C1=NCCS1
O=C1N/C(=N\N=C\c2cccc(Cl)c2)S[C@H]1Cc1ccccc1 Clc1cccc(c1)[*:1] O=C1N/C(=N\N=C[*:1])S[C@H]1Cc1ccccc1
O=C1N/C(=N\N=C\c2cccc(Cl)c2)S[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1N/C(=N\N=C\c2cccc(Cl)c2)S[C@H]1C[*:1]
O=C1N/C(=N\N=C\c2cccc(Cl)c2)S[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1N/C(=N\N=C\c2cccc(Cl)c2)S[C@@H]1[*:1]
C[C@H](SCC(=O)NCc1ccccn1)c1ccccc1Cl c1ccc(nc1)[*:1] C[C@H](SCC(=O)NC[*:1])c1ccccc1Cl
C[C@H](SCC(=O)NCc1ccccn1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](SCC(=O)NCc1ccccn1)[*:1]
C[C@H](SCC(=O)NCc1ccccn1)c1ccccc1Cl c1ccc(C[*:1])nc1 C[C@H](SCC(=O)N[*:1])c1ccccc1Cl
COC(=O)CCN(C)c1ccc(C#N)c([N+](=O)[O-])c1 COC(=O)[*:1] CN(CC[*:1])c1ccc(C#N)c(c1)[N+](=O)[O-]
COC(=O)CCN(C)c1ccc(C#N)c([N+](=O)[O-])c1 COC(=O)C[*:1] CN(C[*:1])c1ccc(C#N)c(c1)[N+](=O)[O-]
COC(=O)CCN(C)c1ccc(C#N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COC(=O)CCN(C)c1ccc(C#N)c(c1)[*:1]
COC(=O)CCN(C)c1ccc(C#N)c([N+](=O)[O-])c1 COC(=O)CC[*:1] CN(c1ccc(C#N)c(c1)[N+](=O)[O-])[*:1]
COc1cc(C#N)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] COc1cc(C#N)ccc1OCC(=O)Nc1ccc(cc1)[*:1]
O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1cnc(s1)[*:1]
O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1cnc(-c2ccccc2)s1 c1cc(cs1)[*:1] O=C(NC[C@@H](O)[*:1])C(=O)Nc1cnc(s1)-c1ccccc1
COc1ccc(OC)c(C(=O)N2CCC[C@H]2C[C@H](C)O)c1 C[C@H](O)C[*:1] COc1ccc(OC)c(c1)C(=O)N1CCC[C@@H]1[*:1]
COc1ccc(OC)c(C(=O)N2CCC[C@H]2C[C@H](C)O)c1 C[C@H](O)[*:1] COc1ccc(OC)c(c1)C(=O)N1CCC[C@H]1C[*:1]
CCCn1cc[nH+]c1Cc1cc(Cl)ncn1 CCC[*:1] Clc1cc(Cc2[nH+]ccn2[*:1])ncn1
CC(=O)NCCNC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 CC(=O)NCC[*:1] O=C(NCc1ccc(cc1)CN1CCc2ccccc21)N[*:1]
CC(=O)NCCNC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 CC(=O)NC[*:1] O=C(NCc1ccc(cc1)CN1CCc2ccccc21)NC[*:1]
CC(=O)NCCNC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 c1ccc2c(c1)CCN2[*:1] CC(=O)NCCNC(=O)NCc1ccc(cc1)C[*:1]
CC(=O)NCCNC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 CC(=O)N[*:1] O=C(NCC[*:1])NCc1ccc(cc1)CN1CCc2ccccc21
Cc1cnc([C@@H](NC(=O)c2cc3cc(C)c(C)cc3o2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)c1cc2cc(C)c(C)cc2o1)[*:1]
Cc1cnc([C@@H](NC(=O)c2cc3cc(C)c(C)cc3o2)C2CC2)s1 Cc1cnc(s1)[*:1] Cc1cc2cc(oc2cc1C)C(=O)N[C@@H](C1CC1)[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)NC(Cl)=C(Cl)Cl c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NNC(=O)NC(Cl)=C(Cl)Cl)[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)NC(Cl)=C(Cl)Cl ClC(Cl)=C(Cl)[*:1] Cc1nc(sc1C(=O)NNC(=O)N[*:1])-c1ccccc1
O=C(Nc1ccsc1C(=O)[O-])c1ccc(Br)nc1 O=C([O-])[*:1] O=C(Nc1ccsc1[*:1])c1ccc(Br)nc1
COC(=O)C(C)(C)[C@H]1CCCN(Cn2cc(C)n(-c3cc(C)on3)c2=O)C1 Cc1cc(no1)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)Cn1cc(C)n(c1=O)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(Cn2cc(C)n(-c3cc(C)on3)c2=O)C1 COC(=O)C(C)(C)[*:1] Cc1cc(no1)-n1c(C)cn(CN2CCC[C@@H](C2)[*:1])c1=O
COC(=O)C(C)(C)[C@H]1CCCN(Cn2cc(C)n(-c3cc(C)on3)c2=O)C1 COC(=O)[*:1] Cc1cc(no1)-n1c(C)cn(CN2CCC[C@@H](C2)C(C)(C)[*:1])c1=O
Cc1cccc2cc(C[NH+]3CCC(C(N)=O)CC3)c(=O)[nH]c12 NC(=O)[*:1] Cc1cccc2cc(C[NH+]3CCC(CC3)[*:1])c(=O)[nH]c12
COc1ccc2cc(CN(Cc3ccccc3OC)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 Fc1ccc(cc1)[*:1] COc1ccc2cc(CN(Cc3ccccc3OC)C(=O)N[*:1])c(=O)[nH]c2c1
COc1ccc2cc(CN(Cc3ccccc3OC)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 COc1ccccc1C[*:1] COc1ccc2cc(CN(C(=O)Nc3ccc(F)cc3)[*:1])c(=O)[nH]c2c1
COc1ccc2cc(CN(Cc3ccccc3OC)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 COc1ccccc1[*:1] COc1ccc2cc(CN(C[*:1])C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1
CCc1ccc([C@H]2CC(=O)N=C(SCC(=O)OC(C)C)[C@H]2C#N)cc1 CC(C)OC(=O)[*:1] CCc1ccc(cc1)[C@H]1CC(=O)N=C(SC[*:1])[C@H]1C#N
CCc1ccc([C@H]2CC(=O)N=C(SCC(=O)OC(C)C)[C@H]2C#N)cc1 CC(C)OC(=O)C[*:1] CCc1ccc(cc1)[C@H]1CC(=O)N=C(S[*:1])[C@H]1C#N
CCc1ccc([C@H]2CC(=O)N=C(SCC(=O)OC(C)C)[C@H]2C#N)cc1 CC(C)[*:1] CCc1ccc(cc1)[C@H]1CC(=O)N=C(SCC(=O)O[*:1])[C@H]1C#N
CCc1ccc([C@H]2CC(=O)N=C(SCC(=O)OC(C)C)[C@H]2C#N)cc1 CCc1ccc(cc1)[*:1] CC(C)OC(=O)CSC1=NC(=O)C[C@@H]([C@@H]1C#N)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1ccc(C)c(C)c1O CCS(=O)(=O)C[*:1] Cc1ccc(C(=O)N(C)C[*:1])c(O)c1C
CCS(=O)(=O)CCN(C)C(=O)c1ccc(C)c(C)c1O CCS(=O)(=O)[*:1] Cc1ccc(C(=O)N(C)CC[*:1])c(O)c1C
Cc1cc2oc3c(c(=O)c2cc1C)[C@@]1(C(=O)N(C)c2ccccc21)N(CCO)C3=O OCC[*:1] Cc1cc2oc3C(=O)N([C@]4(C(=O)N(C)c5ccccc54)c3c(=O)c2cc1C)[*:1]
C[C@H](NC(=O)[C@H](C)n1cncn1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)[C@H](C)n1cncn1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)[C@H](C)n1cncn1)c1ccc(C(F)(F)F)cc1 C[C@H](n1cncn1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)C(F)(F)F
C[C@H](NC(=O)[C@H](C)n1cncn1)c1ccc(C(F)(F)F)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)[C@H](C)[*:1])c1ccc(cc1)C(F)(F)F
Cc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)NC(C)C)o1 Cc1ccc(C=C[*:1])o1 CC(C)NC(=O)Nc1ccccc1NC(=O)[*:1]
Cc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)NC(C)C)o1 CC(C)[*:1] Cc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)N[*:1])o1
Cc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)NC(C)C)o1 CC(C)NC(=O)N[*:1] Cc1ccc(/C=C/C(=O)Nc2ccccc2[*:1])o1
Cc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)NC(C)C)o1 Cc1ccc(o1)[*:1] CC(C)NC(=O)Nc1ccccc1NC(=O)C=C[*:1]
O=C([O-])c1cccnc1-c1ccccn1 O=C([O-])[*:1] c1ccc(nc1)-c1ncccc1[*:1]
Cc1cc(C)n(C[C@@H](C)CNC(=O)NNc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(C)n(C[C@@H](C)CNC(=O)NN[*:1])n1
Cc1cc(C)n(C[C@@H](C)CNC(=O)NNc2ccc(F)cc2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H](CNC(=O)NNc1ccc(F)cc1)C[*:1]
C[C@@H](CO)CCCC[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@@H](CO)CCCC[C@@H](C)[*:1]
C[C@@H](CO)CCCC[C@@H](C)C(=O)[O-] C[C@@H](CO)[*:1] C[C@H](CCCC[*:1])C(=O)[O-]
Cc1cc(C)c(C(=O)N2CCC(Cc3nnc(CO)n3C)CC2)c(=O)[nH]1 Cn1c(CO)nnc1[*:1] Cc1cc(C)c(C(=O)N2CCC(CC2)C[*:1])c(=O)[nH]1
CC[C@@H]([NH3+])[C@H](SC1COC1)c1ccc(C)cc1 C1OCC1[*:1] CC[C@@H]([NH3+])[C@H](S[*:1])c1ccc(C)cc1
CC[C@@H]([NH3+])[C@H](SC1COC1)c1ccc(C)cc1 C1OCC1S[*:1] CC[C@@H]([NH3+])[C@H](c1ccc(C)cc1)[*:1]
CCN(C)c1cccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 c1coc(c1)[*:1] CCN(C)c1cccc(c1)NC(=O)c1cc(nc2onc(C)c12)[*:1]
CCN(C)c1cccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 CCN(C)[*:1] Cc1noc2nc(cc(C(=O)Nc3cccc(c3)[*:1])c12)-c1ccco1
CCCCOCCN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 CCCCOC[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C[*:1]
CCCCOCCN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 CCCC[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CCO[*:1])CC1
CCCCOCCN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 CCCCO[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)CC[*:1]
CCCCOCCN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 CCC[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CCOC[*:1])CC1
COCCn1c(S[C@@H](C)c2ccc(F)cc2F)nnc1-c1ccncc1 c1cc(ccn1)[*:1] COCCn1c(nnc1[*:1])S[C@@H](C)c1ccc(F)cc1F
COCCn1c(S[C@@H](C)c2ccc(F)cc2F)nnc1-c1ccncc1 Fc1ccc(c(F)c1)[*:1] COCCn1c(nnc1-c1ccncc1)S[C@@H](C)[*:1]
COCCn1c(S[C@@H](C)c2ccc(F)cc2F)nnc1-c1ccncc1 COC[*:1] C[C@H](Sc1nnc(-c2ccncc2)n1C[*:1])c1ccc(F)cc1F
COCCn1c(S[C@@H](C)c2ccc(F)cc2F)nnc1-c1ccncc1 COCC[*:1] C[C@H](Sc1nnc(-c2ccncc2)n1[*:1])c1ccc(F)cc1F
COc1ccc([C@H](CC(=O)N(C)Cc2nnc(C)o2)c2ccccc2)cc1 Cc1nnc(o1)[*:1] COc1ccc(cc1)[C@H](CC(=O)N(C)C[*:1])c1ccccc1
COc1ccc([C@H](CC(=O)N(C)Cc2nnc(C)o2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] Cc1nnc(CN(C)C(=O)C[C@H](c2ccccc2)[*:1])o1
COc1ccc([C@H](CC(=O)N(C)Cc2nnc(C)o2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](CC(=O)N(C)Cc1nnc(C)o1)[*:1]
COc1ccc([C@H](CC(=O)N(C)Cc2nnc(C)o2)c2ccccc2)cc1 Cc1nnc(C[*:1])o1 COc1ccc(cc1)[C@H](CC(=O)N(C)[*:1])c1ccccc1
COc1cc(OC)cc([C@H]2SCCN2C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 COc1cc(cc(c1)[*:1])OC CC(C)c1cccc(c1NC(=O)N1CCS[C@@H]1[*:1])C(C)C
COc1cc(OC)cc([C@H]2SCCN2C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 CC(C)[*:1] COc1cc(cc(c1)[C@H]1SCCN1C(=O)Nc1c(cccc1[*:1])C(C)C)OC
Cn1cccc1[C@H](CNS(=O)(=O)c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] Cn1cccc1[C@H](CNS(=O)(=O)[*:1])[NH+]1CCCC1
Cn1cccc1[C@H](CNS(=O)(=O)c1ccccc1)[NH+]1CCCC1 Cn1cccc1[*:1] O=S(=O)(NC[C@H]([NH+]1CCCC1)[*:1])c1ccccc1
O=c1[nH]c([O-])ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=c1[nH]c([O-])ncc1[*:1]
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)c1ccco1)C2 c1ccn(c1)[*:1] CC(C)(C)n1nc2CN(Cc2c1[*:1])C(=O)c1ccco1
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)c1ccco1)C2 c1coc(c1)[*:1] CC(C)(C)n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)c1ccco1)C2 CC(C)(C)[*:1] O=C(c1ccco1)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
CS[C@H](C)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CS[C@H](C)C(=O)N1CCN(CC1)[C@@H](C)[*:1]
CS[C@H](C)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 CS[C@H](C)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)[*:1]
C[C@H](NC(=O)N1CCC[C@H](C(C)(C)C)CC1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)N1CCC[C@@H](CC1)C(C)(C)C)[*:1]
C[C@H](NC(=O)N1CCC[C@H](C(C)(C)C)CC1)c1cnn(C)c1 CC(C)(C)[*:1] C[C@H](NC(=O)N1CCC[C@H](CC1)[*:1])c1cnn(C)c1
CCOc1cc2c(c3[nH]c(C(=O)N[C@H](C)c4ccc(NC(=O)C5CC5)cc4)cc13)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c3cc([nH]c3c2O1)C(=O)N[C@H](C)c1ccc(cc1)NC(=O)C1CC1)[*:1]
CCOc1cc2c(c3[nH]c(C(=O)N[C@H](C)c4ccc(NC(=O)C5CC5)cc4)cc13)O[C@H](C)C2 O=C(N[*:1])C1CC1 CCOc1cc2C[C@@H](C)Oc2c2[nH]c(cc12)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
CCOc1cc2c(c3[nH]c(C(=O)N[C@H](C)c4ccc(NC(=O)C5CC5)cc4)cc13)O[C@H](C)C2 C1CC1[*:1] CCOc1cc2C[C@@H](C)Oc2c2[nH]c(cc12)C(=O)N[C@H](C)c1ccc(cc1)NC(=O)[*:1]
CN/C(=[NH+]\C)SCc1ccc(OCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CN/C(=[NH+]\C)SCc1ccc(cc1)OC[*:1]
Cc1ccc(CN(C(=O)c2cccc(-n3nc([O-])ccc3=O)c2)C(C)C)o1 Cc1ccc(o1)[*:1] CC(C)N(C[*:1])C(=O)c1cccc(c1)-n1nc([O-])ccc1=O
Cc1ccc(CN(C(=O)c2cccc(-n3nc([O-])ccc3=O)c2)C(C)C)o1 Cc1ccc(C[*:1])o1 CC(C)N(C(=O)c1cccc(c1)-n1nc([O-])ccc1=O)[*:1]
Cc1ccc(CN(C(=O)c2cccc(-n3nc([O-])ccc3=O)c2)C(C)C)o1 O=c1ccc([O-])nn1[*:1] Cc1ccc(CN(C(=O)c2cccc(c2)[*:1])C(C)C)o1
Cc1ccc(CN(C(=O)c2cccc(-n3nc([O-])ccc3=O)c2)C(C)C)o1 CC(C)[*:1] Cc1ccc(CN(C(=O)c2cccc(c2)-n2nc([O-])ccc2=O)[*:1])o1
CCCc1nc(CNc2cc(Cl)ccc2N2CCOCC2)cs1 C1CN(CCO1)[*:1] CCCc1nc(cs1)CNc1cc(Cl)ccc1[*:1]
CCCc1nc(CNc2cc(Cl)ccc2N2CCOCC2)cs1 CCC[*:1] Clc1ccc(c(c1)NCc1csc(n1)[*:1])N1CCOCC1
Cn1cc(CCNC(=O)c2ccc(-n3cnnn3)cc2)c2cc(F)ccc21 c1nnnn1[*:1] Cn1cc(CCNC(=O)c2ccc(cc2)[*:1])c2cc(F)ccc21
CC(C)N(CC(N)=O)c1ncnc2sc(-c3ccccc3)cc12 CC(C)[*:1] NC(=O)CN(c1ncnc2sc(cc12)-c1ccccc1)[*:1]
CC(C)N(CC(N)=O)c1ncnc2sc(-c3ccccc3)cc12 c1ccc(cc1)[*:1] CC(C)N(CC(N)=O)c1ncnc2sc(cc12)[*:1]
CC(C)N(CC(N)=O)c1ncnc2sc(-c3ccccc3)cc12 NC(=O)C[*:1] CC(C)N(c1ncnc2sc(cc12)-c1ccccc1)[*:1]
CC(C)N(CC(N)=O)c1ncnc2sc(-c3ccccc3)cc12 NC(=O)[*:1] CC(C)N(C[*:1])c1ncnc2sc(cc12)-c1ccccc1
CCn1c([O-])c2ccc(C(=O)N[C@H](C)Cc3ccccc3Cl)cc2nc1=S Clc1ccccc1[*:1] CCn1c([O-])c2ccc(cc2nc1=S)C(=O)N[C@H](C)C[*:1]
CCn1c([O-])c2ccc(C(=O)N[C@H](C)Cc3ccccc3Cl)cc2nc1=S Clc1ccccc1C[*:1] CCn1c([O-])c2ccc(cc2nc1=S)C(=O)N[C@H](C)[*:1]
O=C(Nc1nncs1)c1cccc(Cl)c1 c1nnc(s1)[*:1] O=C(N[*:1])c1cccc(Cl)c1
CCOCCN(C)C(=O)[C@@H]1CCCCN1S(C)(=O)=O CCOCC[*:1] CN(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)[*:1]
CCOCCN(C)C(=O)[C@@H]1CCCCN1S(C)(=O)=O CCOC[*:1] CN(C[*:1])C(=O)[C@@H]1CCCCN1S(C)(=O)=O
CCOCCN(C)C(=O)[C@@H]1CCCCN1S(C)(=O)=O CCO[*:1] CN(CC[*:1])C(=O)[C@@H]1CCCCN1S(C)(=O)=O
O=C(CNC(=O)c1cccs1)NC[C@H](O)c1c(F)cccc1F c1csc(c1)[*:1] O=C(CNC(=O)[*:1])NC[C@H](O)c1c(F)cccc1F
C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCN(C1)C(=O)O[*:1]
C[NH+]1CCN(Cc2cccc(C(=O)c3cc(F)cc(Cl)c3)c2)CC1 Fc1cc(Cl)cc(c1)[*:1] C[NH+]1CCN(CC1)Cc1cccc(c1)C(=O)[*:1]
CC(=O)Nc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1F CS(=O)(=O)[*:1] CC(=O)Nc1cc(ccc1F)C(=O)N(C)[C@@H]1CCCC[C@H]1[*:1]
CC(=O)Nc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1F CC(=O)N[*:1] CN(C(=O)c1ccc(F)c(c1)[*:1])[C@@H]1CCCC[C@@H]1S(C)(=O)=O
C=CCN(CC(F)(F)F)C(=O)/C=C(/C)c1ccc(F)cc1F FC(F)(F)[*:1] C=CCN(C[*:1])C(=O)/C=C(/C)c1ccc(F)cc1F
C=CCN(CC(F)(F)F)C(=O)/C=C(/C)c1ccc(F)cc1F C=CC[*:1] C/C(=C/C(=O)N(CC(F)(F)F)[*:1])c1ccc(F)cc1F
C=CCN(CC(F)(F)F)C(=O)/C=C(/C)c1ccc(F)cc1F FC(F)(F)C[*:1] C=CCN(C(=O)/C=C(/C)c1ccc(F)cc1F)[*:1]
Cn1nccc1CNC(=O)N1CCn2c(nnc2-c2ccccc2)C1 Cn1nccc1C[*:1] O=C(N[*:1])N1CCn2c(C1)nnc2-c1ccccc1
Cn1nccc1CNC(=O)N1CCn2c(nnc2-c2ccccc2)C1 Cn1nccc1[*:1] O=C(NC[*:1])N1CCn2c(C1)nnc2-c1ccccc1
Cn1nccc1CNC(=O)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] Cn1nccc1CNC(=O)N1CCn2c(C1)nnc2[*:1]
O=C(Nc1ccc(CCN2CCOCC2)cc1)C1=CCCCO1 C1CN(CCO1)[*:1] O=C(Nc1ccc(cc1)CC[*:1])C1=CCCCO1
O=C(Nc1ccc(CCN2CCOCC2)cc1)C1=CCCCO1 C1CN(CCO1)C[*:1] O=C(Nc1ccc(cc1)C[*:1])C1=CCCCO1
Nc1n(N)c2ccccc2[n+]1Cc1ccccc1 c1ccc(cc1)[*:1] Nc1n(N)c2ccccc2[n+]1C[*:1]
CCOC(=O)[C@H]1[C@@H]2NC(=S)N(c3cccc(F)c3)[C@@]1(C)Oc1ccccc12 Fc1cccc(c1)[*:1] CCOC(=O)[C@H]1[C@@H]2NC(=S)N([C@@]1(C)Oc1ccccc12)[*:1]
CCOC(=O)[C@H]1[C@@H]2NC(=S)N(c3cccc(F)c3)[C@@]1(C)Oc1ccccc12 CCOC(=O)[*:1] C[C@@]12Oc3ccccc3[C@@H](NC(=S)N1c1cccc(F)c1)[C@@H]2[*:1]
O=C(NCC(=O)N1CCC2(CC1)OCCc1ccsc12)C1CC1 O=C(NC[*:1])C1CC1 O=C(N1CCC2(CC1)OCCc1ccsc12)[*:1]
O=C(NCC(=O)N1CCC2(CC1)OCCc1ccsc12)C1CC1 C1CC1[*:1] O=C(CNC(=O)[*:1])N1CCC2(CC1)OCCc1ccsc12
O=C(NCC(=O)N1CCC2(CC1)OCCc1ccsc12)C1CC1 O=C(N[*:1])C1CC1 O=C(C[*:1])N1CCC2(CC1)OCCc1ccsc12
C=CC[NH+](CC(=O)Nc1cc(Cl)ccc1F)Cc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C=CC[NH+](CC(=O)Nc1cc(Cl)ccc1F)C[*:1]
C=CC[NH+](CC(=O)Nc1cc(Cl)ccc1F)Cc1cccc(C#N)c1 Fc1ccc(Cl)cc1[*:1] C=CC[NH+](CC(=O)N[*:1])Cc1cccc(C#N)c1
CO[C@@H](C(=O)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)N1CCC(CO)(CC1)Cc1cccc(c1)C(F)(F)F)[*:1]
CO[C@@H](C(=O)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 FC(F)(F)[*:1] CO[C@@H](C(=O)N1CCC(CO)(CC1)Cc1cccc(c1)[*:1])c1ccccc1
CO[C@@H](C(=O)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 FC(F)(F)c1cccc(c1)[*:1] CO[C@@H](C(=O)N1CCC(CO)(CC1)C[*:1])c1ccccc1
CO[C@@H](C(=O)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 CO[C@@H](c1ccccc1)[*:1] O=C(N1CCC(CO)(CC1)Cc1cccc(c1)C(F)(F)F)[*:1]
CC1CCC([NH+](C)CN2C(=O)NC3(CCOCC3)C2=O)CC1 CC1CCC(CC1)[*:1] C[NH+](CN1C(=O)NC2(CCOCC2)C1=O)[*:1]
C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)[*:1]
C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccncc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccccc1C(=O)[*:1])c1ccncc1
CCCC[C@@H](CC)/C([O-])=N/S(=O)(=O)c1cc(C)ccc1C CCCC[*:1] CC[C@@H](/C([O-])=N/S(=O)(=O)c1cc(C)ccc1C)[*:1]
CCCC[C@@H](CC)/C([O-])=N/S(=O)(=O)c1cc(C)ccc1C CCC[*:1] CC[C@H](C[*:1])/C([O-])=N/S(=O)(=O)c1cc(C)ccc1C
COc1cccc(OCCN[C@H](C)c2nccs2)c1 c1csc(n1)[*:1] COc1cccc(c1)OCCN[C@H](C)[*:1]
Cc1ccsc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 Cc1ccsc1C[*:1] C1CC[NH+](C1)CCOC1CC[NH+](CC1)[*:1]
Cc1ccsc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 Cc1ccsc1[*:1] C1CC[NH+](C1)CCOC1CC[NH+](CC1)C[*:1]
CC(C)(C)[NH2+]C[C@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)(C)[NH2+]C[C@H](c1ccccc1Cl)[*:1]
CC(C)(C)[NH2+]C[C@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 Clc1ccccc1[*:1] CC(C)(C)[NH2+]C[C@H]([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)(C)[NH2+]C[C@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 CC(C)(C)[*:1] O=S1(=O)CC[C@H](C1)[C@H](C[NH2+][*:1])c1ccccc1Cl
COc1ccc(-c2csc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)n2)cc1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)c1ccc(C)c(c1)[*:1]
COc1ccc(-c2csc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nc(cs1)[*:1]
c1ccc2c(c1)C[C@H](C[NH2+]CCC1CCCCC1)S2 C1CCC(CC1)[*:1] c1ccc2S[C@@H](C[NH2+]CC[*:1])Cc2c1
COCc1ccc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)o1 COC[*:1] C[C@H](CNC(=O)c1ccc(o1)[*:1])c1nc(no1)-c1ccccc1
COCc1ccc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)o1 COCc1ccc(o1)[*:1] C[C@H](CNC(=O)[*:1])c1nc(no1)-c1ccccc1
COCc1ccc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)o1 c1ccc(cc1)[*:1] COCc1ccc(o1)C(=O)NC[C@@H](C)c1nc(no1)[*:1]
C[C@H]1CC(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C[C@H](C)O1 FC(F)O[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N[C@@H]1CCCN(C1=O)c1ccc(cc1)[*:1]
C[C@H]1CC(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C[C@H](C)O1 FC(F)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N[C@@H]1CCCN(C1=O)c1ccc(cc1)O[*:1]
Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3csc(C(C)C)n3)C2)CC1 Cc1ccccc1[*:1] CC(C)c1nc(cs1)C(=O)N1CCC[C@@H](C1)N1CCN(CC1)[*:1]
Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3csc(C(C)C)n3)C2)CC1 CC(C)[*:1] Cc1ccccc1N1CCN(CC1)[C@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3csc(C(C)C)n3)C2)CC1 CC(C)c1nc(cs1)[*:1] Cc1ccccc1N1CCN(CC1)[C@H]1CCCN(C1)C(=O)[*:1]
CCCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21 COC(=O)[*:1] CCCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2[*:1])c2ccccc21
CCCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21 CCC[*:1] COC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(c1ccccc12)[*:1]
Clc1ccc(-c2noc(CCC3CCCC3)n2)cc1 C1CCC(C1)[*:1] Clc1ccc(cc1)-c1noc(CC[*:1])n1
Clc1ccc(-c2noc(CCC3CCCC3)n2)cc1 C1CCC(C1)C[*:1] Clc1ccc(cc1)-c1noc(C[*:1])n1
CC(C)Oc1ncc(C(=O)N2CCCC2(C)C)cc1Cl CC(C)[*:1] CC1(C)CCCN1C(=O)c1cnc(O[*:1])c(Cl)c1
CC(C)Oc1ncc(C(=O)N2CCCC2(C)C)cc1Cl CC(C)O[*:1] CC1(C)CCCN1C(=O)c1cnc(c(Cl)c1)[*:1]
CC(=O)N(C)c1ccc(NCC(=O)Nc2cc(C)cc(C)c2)cc1 Cc1cc(C)cc(c1)[*:1] CC(=O)N(C)c1ccc(cc1)NCC(=O)N[*:1]
CC(=O)N(C)c1ccc(NCC(=O)Nc2cc(C)cc(C)c2)cc1 CC(=O)N(C)[*:1] Cc1cc(C)cc(c1)NC(=O)CNc1ccc(cc1)[*:1]
CCc1cccc(S(=O)(=O)N(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCc1cccc(c1)S(=O)(=O)N(C)[C@H]1CCC[C@H]1[*:1]
c1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1 c1ccc(C[*:1])nc1 c1ccc(cc1)-n1cnc2cc(ccc21)N[*:1]
c1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)-n1cnc2cc(ccc21)NC[*:1]
c1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1 c1ccc(cc1)[*:1] c1ccc(CNc2ccc3c(c2)ncn3[*:1])nc1
CCCC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 CCCC(=O)N[*:1] O=C(Nc1ccc(F)c(Cl)c1)c1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 CCC[*:1] O=C(Nc1ccc(F)c(Cl)c1)c1ccc(cc1)NC(=O)[*:1]
CC[C@@H](C)N(C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] CC[C@@H](C)N(C)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
N#Cc1ccc(F)c(CNc2cc(C(N)=O)c(F)cc2F)c1 NC(=O)[*:1] N#Cc1ccc(F)c(c1)CNc1cc(c(F)cc1F)[*:1]
CCN1CCN(S(=O)(=O)[C@@H]2C(C)=NC(C)=C2C(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] CCN1CCN(CC1)S(=O)(=O)[C@@H]1C(C)=NC(C)=C1[*:1]
Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NCC[NH2+]C[C@@H]1C[C@@H]2C=C[C@H]1C2)[*:1]
CCCc1cc(NC(=O)N2CCO[C@@H](CCC)C2)n(C)n1 CCC[*:1] CCCc1cc(NC(=O)N2CCO[C@@H](C2)[*:1])n(C)n1
CCCc1cc(NC(=O)N2CCO[C@@H](CCC)C2)n(C)n1 CCC[*:1] CCC[C@H]1CN(CCO1)C(=O)Nc1cc(nn1C)[*:1]
COc1cccc(/C=c2\sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)c1OC(C)=O CC(=O)O[*:1] COc1cccc(/C=c2\sc3nc(nn3c2=O)[C@H]2COc3ccccc3O2)c1[*:1]
CC(C)C(=O)Nc1ccc([C@H]2C=c3ccccc3=[NH+]2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)[C@H]1C=c2ccccc2=[NH+]1)[*:1]
CC(C)C(=O)Nc1ccc([C@H]2C=c3ccccc3=[NH+]2)cc1 CC(C)C(=O)N[*:1] C1=c2ccccc2=[NH+][C@H]1c1ccc(cc1)[*:1]
CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(OC)cc1 C1CC1[*:1] CC[C@H]1CN(CC[C@H]1[NH2+]Cc1ccc(cc1)OC)C(=O)[*:1]
O=Cc1ccc(F)c(-c2noc(COc3ccccc3)n2)c1 c1ccc(cc1)O[*:1] O=Cc1ccc(F)c(c1)-c1noc(C[*:1])n1
O=Cc1ccc(F)c(-c2noc(COc3ccccc3)n2)c1 c1ccc(cc1)[*:1] O=Cc1ccc(F)c(c1)-c1noc(CO[*:1])n1
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)C1 O=C1CCCN1[*:1] C[C@@H]1CCC[C@](C#N)(C1)NC(=O)c1cc(ccc1Cl)[*:1]
CC[C@H](C)NC(=O)[C@H](C)SCc1ccc(Cl)cc1 CC[C@H](C)[*:1] C[C@H](SCc1ccc(Cl)cc1)C(=O)N[*:1]
CC(C)Cc1ccc([C@H](O)c2cc(Cl)cnc2N)cc1 CC(C)[*:1] Nc1ncc(Cl)cc1[C@@H](O)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@H](O)c2cc(Cl)cnc2N)cc1 CC(C)C[*:1] Nc1ncc(Cl)cc1[C@@H](O)c1ccc(cc1)[*:1]
C[C@@]1(c2ccccc2F)NC(=O)N(C[C@H](O)c2cccc(F)c2)C1=O Fc1ccccc1[*:1] C[C@]1(NC(=O)N(C[C@H](O)c2cccc(F)c2)C1=O)[*:1]
C[C@@]1(c2ccccc2F)NC(=O)N(C[C@H](O)c2cccc(F)c2)C1=O Fc1cccc(c1)[*:1] C[C@]1(NC(=O)N(C[C@H](O)[*:1])C1=O)c1ccccc1F
Cc1nn(C)cc1[C@H](C)NC(=O)/C=C/c1cccc2cccnc12 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)/C=C/c1cccc2cccnc12)[*:1]
O=C(OCc1c(F)cccc1Cl)c1ccccc1-n1ncc(Cl)c(Cl)c1=O Fc1cccc(Cl)c1C[*:1] O=C(O[*:1])c1ccccc1-n1ncc(Cl)c(Cl)c1=O
O=C(OCc1c(F)cccc1Cl)c1ccccc1-n1ncc(Cl)c(Cl)c1=O Fc1cccc(Cl)c1[*:1] O=C(OC[*:1])c1ccccc1-n1ncc(Cl)c(Cl)c1=O
O=C(OCc1c(F)cccc1Cl)c1ccccc1-n1ncc(Cl)c(Cl)c1=O O=c1c(Cl)c(Cl)cnn1[*:1] O=C(OCc1c(F)cccc1Cl)c1ccccc1[*:1]
COc1ccc(-c2cnn3c(C)c(C(=O)NCCCN4CCOCC4)cnc23)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NCC[*:1]
COc1ccc(-c2cnn3c(C)c(C(=O)NCCCN4CCOCC4)cnc23)cc1 COc1ccc(cc1)[*:1] Cc1c(cnc2c(cnn12)[*:1])C(=O)NCCCN1CCOCC1
COc1ccc(-c2cnn3c(C)c(C(=O)NCCCN4CCOCC4)cnc23)cc1 C(CN1CCOCC1)C[*:1] COc1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)N[*:1]
COc1ccc(-c2cnn3c(C)c(C(=O)NCCCN4CCOCC4)cnc23)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NCCC[*:1]
COc1ccc(-c2cnn3c(C)c(C(=O)NCCCN4CCOCC4)cnc23)cc1 C1CN(CCO1)CC[*:1] COc1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NC[*:1]
C[C@@H](c1cccc(Br)c1)N1CC(=O)N2CCCC[C@@H]2C1=O Brc1cccc(c1)[*:1] C[C@@H](N1CC(=O)N2CCCC[C@@H]2C1=O)[*:1]
NC(=O)NC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 Fc1ccc(cc1)[*:1] NC(=O)NC1CCN(CC1)C(=O)c1ccc(cc1F)[*:1]
NC(=O)NC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 NC(=O)N[*:1] O=C(c1ccc(cc1F)-c1ccc(F)cc1)N1CCC(CC1)[*:1]
COC(=O)c1cccc(CCNC(=O)N2C[C@@H](C)CC[C@H]2C)c1 COC(=O)[*:1] C[C@H]1CC[C@@H](C)N(C1)C(=O)NCCc1cccc(c1)[*:1]
COCCNC(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 COC[*:1] O=C(NC[*:1])N[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
COCCNC(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 COCCNC(=O)N[*:1] O=C1C[C@@H](CN1c1ccc2OCCOc2c1)[*:1]
COCCNC(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 COCC[*:1] O=C(N[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)N[*:1]
CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(F)c1F)c1ccsc1 Fc1cccc(c1F)[*:1] CC[NH+](CC)[C@H](CNC(=O)N[*:1])c1ccsc1
CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(F)c1F)c1ccsc1 c1cc(cs1)[*:1] CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(F)c1F)[*:1]
COc1ccc(C(=O)C2CCN(C(=O)NCc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)N[*:1]
COc1ccc(C(=O)C2CCN(C(=O)NCc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)NC[*:1]
COc1ccc(C(=O)C2CCN(C(=O)NCc3ccccc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCc1ccccc1)N1CCC(CC1)C(=O)[*:1]
N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)Cn1nc(-c3ccco3)oc1=O)CCCC2 c1coc(c1)[*:1] N#Cc1c2CCCCc2n(C[C@H]2CCCO2)c1NC(=O)Cn1nc(oc1=O)[*:1]
O=C(NC[C@H](O)COc1ccc(I)cc1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NC[C@H](O)COc1ccc(I)cc1)[*:1]
O=C(NC[C@H](O)COc1ccc(I)cc1)c1ccncc1 Ic1ccc(cc1)[*:1] O=C(NC[C@H](O)CO[*:1])c1ccncc1
COCCNC(=O)c1ccnc(OC2CCCCC2)c1 COC[*:1] O=C(NC[*:1])c1ccnc(c1)OC1CCCCC1
COCCNC(=O)c1ccnc(OC2CCCCC2)c1 COCC[*:1] O=C(N[*:1])c1ccnc(c1)OC1CCCCC1
COCCNC(=O)c1ccnc(OC2CCCCC2)c1 C1CCC(CC1)[*:1] COCCNC(=O)c1ccnc(c1)O[*:1]
Cc1nnc(NC(=O)c2ccc(S(C)(=O)=O)cc2)s1 Cc1nnc(s1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
Cc1nnc(NC(=O)c2ccc(S(C)(=O)=O)cc2)s1 CS(=O)(=O)[*:1] Cc1nnc(NC(=O)c2ccc(cc2)[*:1])s1
c1csc(N[C@@H]2CCCC[C@@H]2C2CCCCC2)n1 c1csc(n1)N[*:1] C1CCC(CC1)[C@H]1CCCC[C@H]1[*:1]
c1csc(N[C@@H]2CCCC[C@@H]2C2CCCCC2)n1 c1csc(n1)[*:1] C1CCC(CC1)[C@H]1CCCC[C@H]1N[*:1]
c1csc(N[C@@H]2CCCC[C@@H]2C2CCCCC2)n1 C1CCC(CC1)[*:1] c1csc(n1)N[C@@H]1CCCC[C@H]1[*:1]
CC(C)(C)[C@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@H](NC(=O)CN1CCN(CC1)S(C)(=O)=O)[*:1]
CC(C)(C)[C@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)c1cccs1 CC(C)(C)[*:1] CS(=O)(=O)N1CCN(CC1)CC(=O)N[C@H](c1cccs1)[*:1]
C[C@H](OC(=O)CN(C)C(=O)OC(C)(C)C)c1nccs1 CC(C)(C)[*:1] C[C@H](OC(=O)CN(C)C(=O)O[*:1])c1nccs1
C[C@H](OC(=O)CN(C)C(=O)OC(C)(C)C)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)CN(C)C(=O)OC(C)(C)C)[*:1]
O=C(Nc1nccn(-c2cccc(Cl)c2)c1=O)c1ccccn1 Clc1cccc(c1)[*:1] O=C(Nc1nccn(c1=O)[*:1])c1ccccn1
O=C(Nc1nccn(-c2cccc(Cl)c2)c1=O)c1ccccn1 c1ccc(nc1)[*:1] O=C(Nc1nccn(-c2cccc(Cl)c2)c1=O)[*:1]
C[C@H](c1cccs1)N(C)C(=O)CNc1c(F)cccc1F c1csc(c1)[*:1] C[C@H](N(C)C(=O)CNc1c(F)cccc1F)[*:1]
C[C@H](c1cccs1)N(C)C(=O)CNc1c(F)cccc1F C[C@H](c1cccs1)[*:1] CN(C(=O)CNc1c(F)cccc1F)[*:1]
CCC(=O)c1ccc2ccccc2c1O CCC(=O)[*:1] Oc1c(ccc2ccccc12)[*:1]
CC/C(=C/C(=O)N1CC[C@H](C(N)=O)c2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CCC(=CC(=O)N1CC[C@H](C(N)=O)c2ccccc21)[*:1]
CC/C(=C/C(=O)N1CC[C@H](C(N)=O)c2ccccc21)c1ccccc1 NC(=O)[*:1] CC/C(=C/C(=O)N1CC[C@H](c2ccccc21)[*:1])c1ccccc1
C[C@H]1CN(c2ccccc2NC(=O)C(=O)NC[C@@H](C)O)C[C@@H](C)O1 C[C@@H](O)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)C(=O)NC[*:1]
C[C@H]1CN(c2ccccc2NC(=O)C(=O)NC[C@@H](C)O)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)[*:1] C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1[*:1]
C[C@H]1CN(c2ccccc2NC(=O)C(=O)NC[C@@H](C)O)C[C@@H](C)O1 C[C@@H](O)C[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccccc1NC(=O)C(=O)N[*:1]
COc1ccc(CNC(=O)CS[C@@H](C)c2cccs2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CNC(=O)CS[C@@H](C)[*:1]
Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccccc2C)n1 c1csc(c1)[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)c1ccccc1C)[*:1]
Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccccc2C)n1 Cc1cc(=O)[nH]c(n1)[*:1] Cc1ccccc1C(=O)Nc1cc(nn1[*:1])-c1cccs1
Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccccc2C)n1 Cc1ccccc1[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)[*:1])-c1cccs1
Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1F Cc1cccc(c1C)[*:1] Cc1ccc(cc1F)NC(=O)Cn1nnc(C(=O)N[*:1])c1C
Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1F Cc1ccc(cc1F)[*:1] Cc1cccc(NC(=O)c2nnn(CC(=O)N[*:1])c2C)c1C
Cc1noc(CNc2ccn(-c3ccc(Cl)cc3Cl)n2)n1 Cc1noc(C[*:1])n1 Clc1ccc(c(Cl)c1)-n1ccc(n1)N[*:1]
Cc1noc(CNc2ccn(-c3ccc(Cl)cc3Cl)n2)n1 Cc1noc(n1)[*:1] Clc1ccc(c(Cl)c1)-n1ccc(n1)NC[*:1]
CC(C)C[NH2+]C[C@@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 CC(C)C[*:1] O=S1(=O)CC[C@H](C1)[C@@H](C[NH2+][*:1])c1cccc(Cl)c1
CC(C)C[NH2+]C[C@@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 Clc1cccc(c1)[*:1] CC(C)C[NH2+]C[C@@H]([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)C[NH2+]C[C@@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)C[NH2+]C[C@@H](c1cccc(Cl)c1)[*:1]
CC(C)C[NH2+]C[C@@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=S1(=O)CC[C@H](C1)[C@@H](C[NH2+]C[*:1])c1cccc(Cl)c1
COCCCCC(=O)N1CC[C@H](C)[C@H](O)C1 COC[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)CCC[*:1]
COCCCCC(=O)N1CC[C@H](C)[C@H](O)C1 COCCC[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)C[*:1]
COCCCCC(=O)N1CC[C@H](C)[C@H](O)C1 COCC[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)CC[*:1]
C[C@@H](CNC(=O)CCOc1ccccc1F)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CNC(=O)CCOc1ccccc1F)[*:1]
C[C@@H](CNC(=O)CCOc1ccccc1F)N1CCOCC1 Fc1ccccc1[*:1] C[C@@H](CNC(=O)CCO[*:1])N1CCOCC1
O=c1/c(=C/c2cccc(Cl)c2)sc2nc(-c3ccncc3)nn12 c1cc(ccn1)[*:1] O=c1/c(=C/c2cccc(Cl)c2)sc2nc(nn12)[*:1]
O=c1/c(=C/c2cccc(Cl)c2)sc2nc(-c3ccncc3)nn12 Clc1cccc(c1)[*:1] O=c1c(=C[*:1])sc2nc(nn12)-c1ccncc1
C/[NH+]=C(\NCc1ccc(C)c(F)c1)NCc1nc(C)c(C)o1 Cc1nc(oc1C)[*:1] C/[NH+]=C(\NCc1ccc(C)c(F)c1)NC[*:1]
C[C@@H](Cc1nnc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)s1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1nnc(NC(=O)C2CCN(CC2)C(=O)[C@H]2CC(=O)N(C2)C(C)(C)C)s1)[*:1]
C[C@@H](Cc1nnc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)s1)c1ccccc1 C[C@@H](C[*:1])c1ccccc1 CC(C)(C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)Nc1nnc(s1)[*:1]
C[C@@H](Cc1nnc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)s1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)Nc1nnc(C[*:1])s1
C[C@@H](Cc1nnc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)s1)c1ccccc1 CC(C)(C)[*:1] C[C@@H](Cc1nnc(NC(=O)C2CCN(CC2)C(=O)[C@H]2CC(=O)N(C2)[*:1])s1)c1ccccc1
Cc1ccccc1OC(=O)CSc1nncn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1ccccc1OC(=O)CSc1nncn1[*:1]
Cc1ccccc1OC(=O)CSc1nncn1-c1cccc(Cl)c1 Cc1ccccc1[*:1] O=C(CSc1nncn1-c1cccc(Cl)c1)O[*:1]
CN(CC(=O)Nc1ccc2c(c1)COC2)c1ccc(C(F)(F)F)cc1C=O c1cc2COCc2cc1[*:1] CN(CC(=O)N[*:1])c1ccc(cc1C=O)C(F)(F)F
CN(CC(=O)Nc1ccc2c(c1)COC2)c1ccc(C(F)(F)F)cc1C=O FC(F)(F)[*:1] CN(CC(=O)Nc1ccc2COCc2c1)c1ccc(cc1C=O)[*:1]
CCC[C@@H]1C[C@@]1(O)CC[C@@H]1CCCO1 CCC[*:1] O[C@@]1(CC[C@@H]2CCCO2)C[C@H]1[*:1]
CCOC(=O)Cn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cc(C)ccc21 CCOC(=O)C[*:1] Cc1ccc2c(c1)s/c(=N\C(=O)[C@@H]1COc3ccccc3O1)n2[*:1]
CCOC(=O)Cn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cc(C)ccc21 CCOC(=O)[*:1] Cc1ccc2c(c1)s/c(=N\C(=O)[C@@H]1COc3ccccc3O1)n2C[*:1]
Cc1c(C(=O)N2CCC[C@H]2C[C@H](C)O)cnn1C C[C@H](O)[*:1] Cc1c(cnn1C)C(=O)N1CCC[C@H]1C[*:1]
Cc1c(C(=O)N2CCC[C@H]2C[C@H](C)O)cnn1C C[C@H](O)C[*:1] Cc1c(cnn1C)C(=O)N1CCC[C@@H]1[*:1]
CN(CC(C)(C)O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 CC(C)(O)[*:1] CN(C[*:1])C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1
CN(CC(C)(C)O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] CN(CC(C)(C)O)C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CN(CC(C)(C)O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] CN(CC(C)(C)O)C(=O)N[C@@H](c1cccc(c1)[*:1])C1CC1
CN(CC(C)(C)O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 CC(C)(O)C[*:1] CN(C(=O)N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
O=C(Nc1cccc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c1)NC1CC1 O=C(NC1CC1)N[*:1] O=C(c1cccc(c1)[*:1])N1CCC[C@@H]1CN1CCOCC1
O=C(Nc1cccc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c1)NC1CC1 C1CN(CCO1)C[*:1] O=C(Nc1cccc(c1)C(=O)N1CCC[C@H]1[*:1])NC1CC1
O=C(Nc1cccc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c1)NC1CC1 C1CN(CCO1)[*:1] O=C(Nc1cccc(c1)C(=O)N1CCC[C@@H]1C[*:1])NC1CC1
O=C(Nc1cccc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c1)NC1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)C(=O)N1CCC[C@@H]1CN1CCOCC1)N[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)Cc1nc2c(s1)CCCC2 CC(C)C[*:1] Cc1nn(c(C)c1CC(=O)N(C)Cc1nc2CCCCc2s1)[*:1]
Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)Cc1nc2c(s1)CCCC2 CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CC(=O)N(C)Cc1nc2CCCCc2s1
O=C(C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] FC(F)(F)c1ccc2c(c1)nnn2C1CC[NH+](CC1)C[*:1]
O=C(C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)n1nnc2cc(ccc21)C(F)(F)F)N[*:1]
O=C(C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1ccc(F)cc1 FC(F)(F)[*:1] O=C(C[NH+]1CCC(CC1)n1nnc2cc(ccc21)[*:1])Nc1ccc(F)cc1
Cn1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 Clc1ccccc1[*:1] Cn1cc(cn1)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
Cn1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 Cn1cc(cn1)[*:1] O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1ccc2c(c1)CCC2 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)c1ccc2CCCc2c1
COCCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 C1CO[C@H](C1)C[*:1] COCCCSc1nc2sc3C[C@H](C)CCc3c2c(=O)n1[*:1]
COCCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 COCCCS[*:1] C[C@@H]1CCc2c(C1)sc1nc(n(C[C@H]3CCCO3)c(=O)c21)[*:1]
COCCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 COCC[*:1] C[C@@H]1CCc2c(C1)sc1nc(SC[*:1])n(C[C@H]3CCCO3)c(=O)c21
COCCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 COCCC[*:1] C[C@@H]1CCc2c(C1)sc1nc(S[*:1])n(C[C@H]3CCCO3)c(=O)c21
COCCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 C1CO[C@H](C1)[*:1] COCCCSc1nc2sc3C[C@H](C)CCc3c2c(=O)n1C[*:1]
COCCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 COC[*:1] C[C@@H]1CCc2c(C1)sc1nc(SCC[*:1])n(C[C@H]3CCCO3)c(=O)c21
Cc1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1S(C)(=O)=O [O-][n+]1cccc(c1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)[*:1]
Cc1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1ccc[n+]([O-])c1
CC(C)Cc1ccc(-c2c[nH]c(=S)[nH]2)cc1 CC(C)C[*:1] S=c1[nH]cc([nH]1)-c1ccc(cc1)[*:1]
CC(C)Cc1ccc(-c2c[nH]c(=S)[nH]2)cc1 CC(C)[*:1] S=c1[nH]cc([nH]1)-c1ccc(cc1)C[*:1]
CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 CCO[*:1] O=C(c1sc(cc1[*:1])-c1ccccc1)N1CCN(CC1)c1cccc[nH+]1
CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 c1ccc(cc1)[*:1] CCOc1cc(sc1C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)c(C)n1C[C@@H]1CCCO1 Clc1cccc(c1)C[*:1] Cc1cc(/C=C(/C#N)C(=O)N[*:1])c(C)n1C[C@@H]1CCCO1
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)c(C)n1C[C@@H]1CCCO1 Clc1cccc(c1)[*:1] Cc1cc(/C=C(/C#N)C(=O)NC[*:1])c(C)n1C[C@@H]1CCCO1
CNS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2C)s1 Cc1ccccc1[*:1] CNS(=O)(=O)c1ccc(CNC(=O)N[*:1])s1
CNS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2C)s1 CNS(=O)(=O)[*:1] Cc1ccccc1NC(=O)NCc1ccc(s1)[*:1]
Cc1ccccc1CCNCc1cscn1 c1nc(cs1)[*:1] Cc1ccccc1CCNC[*:1]
CCCN1CC[C@H]([NH+](C)C)C[C@@H]1C CCC[*:1] C[C@H]1C[C@H](CCN1[*:1])[NH+](C)C
C[NH+](C)[C@@H]1CC[C@H](NC(=O)CSCC(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)CSCC(=O)[*:1]
CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1Cn1cc(C)cn1 Cc1cnn(c1)[*:1] CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1C[*:1]
CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1Cn1cc(C)cn1 Cc1cnn(c1)C[*:1] CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1[*:1]
Cc1cccc(C)c1OCCNC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1cccc(C)c1OCCNC(=O)Nc1ccc(cc1)[C@@H](C)[*:1]
Cc1cccc(C)c1OCCNC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 Cc1cccc(C)c1[*:1] C[C@H](c1ccc(cc1)NC(=O)NCCO[*:1])N1CCOCC1
Cc1cccc(C)c1OCCNC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 Cc1cccc(C)c1O[*:1] C[C@H](c1ccc(cc1)NC(=O)NCC[*:1])N1CCOCC1
CN1CC[NH+]=C1COc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1 c1ccc(nc1)[*:1] CN1CC[NH+]=C1COc1ccc(cc1)C(=O)Nc1nc(n[nH]1)[*:1]
O=C(c1ncccc1C(F)(F)F)N1CCO[C@@]2(CCc3ccccc32)C1 FC(F)(F)[*:1] O=C(c1ncccc1[*:1])N1CCO[C@@]2(CCc3ccccc32)C1
C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)C(=O)[O-] O=C([O-])[*:1] C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)[*:1]
C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)C(=O)[O-] CS(=O)(=O)[*:1] C[C@@H]([NH2+]CC(C)(C)[*:1])C(=O)[O-]
Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(c3c(C)nn(C)c3n2)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1nn(C)c2nc(cc(-c3ccccc3)c12)O[C@H](C)C(=O)N[*:1]
O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(c1ccccc1)c1cccc(c1)[*:1]
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCCC1)[C@@H]1CCCO1 FC(F)(F)C[*:1] C[C@H](NC(=O)N(C[*:1])C1CCCC1)[C@@H]1CCCO1
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCCC1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)N(CCC(F)(F)F)C1CCCC1)[*:1]
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCCC1)[C@@H]1CCCO1 FC(F)(F)CC[*:1] C[C@H](NC(=O)N(C1CCCC1)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCCC1)[C@@H]1CCCO1 C1CCC(C1)[*:1] C[C@H](NC(=O)N(CCC(F)(F)F)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)N(CCC(F)(F)F)C1CCCC1)[C@@H]1CCCO1 FC(F)(F)[*:1] C[C@H](NC(=O)N(CC[*:1])C1CCCC1)[C@@H]1CCCO1
CC(C)(C)c1ccc(NC(=O)CSc2nn3cnnc3s2)cc1 CC(C)(C)[*:1] O=C(CSc1nn2cnnc2s1)Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)CN2CSCC2=O)c(C)c1 O=C1CSCN1[*:1] Cc1ccc(NC(=O)C[*:1])c(C)c1
C[C@@H](C(=O)[O-])[C@@H](C)Sc1ccccc1[N+](=O)[O-] O=C([O-])[*:1] C[C@@H]([C@@H](C)Sc1ccccc1[N+](=O)[O-])[*:1]
C[C@@H](C(=O)[O-])[C@@H](C)Sc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](C(=O)[O-])[C@@H](C)Sc1ccccc1[*:1]
CCCNC(=O)CNC(=O)NC[C@H](C)N1CCOCC1 CCCNC(=O)[*:1] C[C@@H](CNC(=O)NC[*:1])N1CCOCC1
CCCNC(=O)CNC(=O)NC[C@H](C)N1CCOCC1 C1CN(CCO1)[*:1] CCCNC(=O)CNC(=O)NC[C@H](C)[*:1]
CCCNC(=O)CNC(=O)NC[C@H](C)N1CCOCC1 CCC[*:1] C[C@@H](CNC(=O)NCC(=O)N[*:1])N1CCOCC1
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H](c1cccs1)[NH+]1CCCC1 O=S(=O)(N1CCCCCC1)[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])[C@@H](c1cccs1)[NH+]1CCCC1
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H](c1cccs1)[NH+]1CCCC1 c1csc(c1)[*:1] C[C@@H](NC(=O)c1cccc(c1)S(=O)(=O)N1CCCCCC1)[C@@H]([NH+]1CCCC1)[*:1]
CC[C@@H](C(=O)NCc1nnc2n1CCC2)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@@H](C(=O)NCc1nnc2CCCn21)c1cccc(c1)[*:1]
CC[C@@H](C(=O)NCc1nnc2n1CCC2)c1cccc(C(F)(F)F)c1 C1Cc2nnc(n2C1)[*:1] CC[C@@H](C(=O)NC[*:1])c1cccc(c1)C(F)(F)F
CCc1nc([C@H](C)NC(=O)c2sc(C)cc2OC(F)F)cs1 FC(F)O[*:1] CCc1nc(cs1)[C@H](C)NC(=O)c1sc(C)cc1[*:1]
CCc1nc([C@H](C)NC(=O)c2sc(C)cc2OC(F)F)cs1 CCc1nc(cs1)[*:1] Cc1cc(OC(F)F)c(s1)C(=O)N[C@@H](C)[*:1]
CCc1nc([C@H](C)NC(=O)c2sc(C)cc2OC(F)F)cs1 FC(F)[*:1] CCc1nc(cs1)[C@H](C)NC(=O)c1sc(C)cc1O[*:1]
CC1(C)CC2=NC3=NC(=N)N=C([O-])[C@@H]3[C@H](c3ccc(Cl)cc3)C2=C([O-])C1 Clc1ccc(cc1)[*:1] CC1(C)CC2=NC3=NC(=N)N=C([O-])[C@@H]3[C@H](C2=C([O-])C1)[*:1]
COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCn4c3nc3ccccc34)[C@@H]2c2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)N1C(=O)CC[C@@H](C(=O)N2CCn3c2nc2ccccc23)[C@H]1[*:1]
COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCn4c3nc3ccccc34)[C@@H]2c2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1[C@H]1[C@@H](CCC(=O)N1[*:1])C(=O)N1CCn2c1nc1ccccc12
O=C(NCCCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)cc1 O=C(NC[*:1])c1ccc(Cl)cc1 O=C(c1ccc2OCCOc2c1)C1CCN(CC1)C(=O)CC[*:1]
O=C(NCCCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(c1ccc2OCCOc2c1)C1CCN(CC1)C(=O)CCCNC(=O)[*:1]
O=C(NCCCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)cc1 c1cc2OCCOc2cc1[*:1] O=C(NCCCC(=O)N1CCC(CC1)C(=O)[*:1])c1ccc(Cl)cc1
O=C(NCCCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 O=C(c1ccc2OCCOc2c1)C1CCN(CC1)C(=O)CCC[*:1]
CO[C@@H]1CCCN(C(=O)NCc2nc(C)no2)C1 Cc1noc(n1)[*:1] CO[C@@H]1CCCN(C1)C(=O)NC[*:1]
C[C@@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](NC(=O)CCC(=O)c1ccc(Br)cc1)[*:1]
C[C@@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1ccccc1Cl Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCC(=O)[*:1])c1ccccc1Cl
CC(C)C(=O)Nc1nc2ccc(CCC(=O)NCc3ccccc3Cl)cc2s1 Clc1ccccc1[*:1] CC(C)C(=O)Nc1nc2ccc(cc2s1)CCC(=O)NC[*:1]
CC(C)C(=O)Nc1nc2ccc(CCC(=O)NCc3ccccc3Cl)cc2s1 Clc1ccccc1C[*:1] CC(C)C(=O)Nc1nc2ccc(cc2s1)CCC(=O)N[*:1]
CC(C)C(=O)Nc1nc2ccc(CCC(=O)NCc3ccccc3Cl)cc2s1 CC(C)C(=O)N[*:1] O=C(CCc1ccc2nc(sc2c1)[*:1])NCc1ccccc1Cl
CC(C)C(=O)Nc1nc2ccc(CCC(=O)NCc3ccccc3Cl)cc2s1 CC(C)[*:1] O=C(CCc1ccc2nc(NC(=O)[*:1])sc2c1)NCc1ccccc1Cl
NS(=O)(=O)c1ccc(NC(=O)Cc2csc(Nc3ccccc3)n2)cc1 NS(=O)(=O)[*:1] O=C(Cc1csc(n1)Nc1ccccc1)Nc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)Cc2csc(Nc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)Cc1csc(n1)N[*:1]
NS(=O)(=O)c1ccc(NC(=O)Cc2csc(Nc3ccccc3)n2)cc1 c1ccc(cc1)N[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)Cc1csc(n1)[*:1]
COc1cccc(NC(=O)[C@H]2CCCN(C(=O)C3=CC4=CC=N[C@@H]4C=C3)C2)c1 COc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)C1C=C[C@H]2N=CC=C2C=1
Cc1cccc(N2N=C(C(=O)N[C@@H]3CCCc4c3cnn4C)CCC2=O)c1 Cc1cccc(c1)[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)C1CCC(=O)N(N=1)[*:1]
C[C@@H](NC(=O)N[C@H](C)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[C@H](C)[*:1])c1ccccc1
CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(Cl)cc1 CCOC(=O)[*:1] CC1=C([C@@H](NC(=S)N1C)c1ccc(Cl)cc1)[*:1]
CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1[*:1]
C[C@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)C(=O)O[*:1]
C[C@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)C(=O)OC(C)(C)C Fc1ccccc1[*:1] C[C@H](Nc1ccc2nnc(n2n1)[*:1])C(=O)OC(C)(C)C
C[C@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)C(=O)OC(C)(C)C CC(C)(C)OC(=O)[*:1] C[C@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)[*:1]
CCCc1c(N)nnn1CCCOc1ccccc1 c1ccc(cc1)[*:1] CCCc1c(N)nnn1CCCO[*:1]
CCCc1c(N)nnn1CCCOc1ccccc1 CCC[*:1] Nc1nnn(CCCOc2ccccc2)c1[*:1]
CCOc1ccccc1CN(C)C(=O)NC[C@@H]1COc2ccccc2O1 CCO[*:1] CN(Cc1ccccc1[*:1])C(=O)NC[C@@H]1COc2ccccc2O1
Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCCCn3nccc3C3CC3)c12 Cn1cc(cn1)[*:1] Cc1noc2nc(cc(C(=O)NCCCn3nccc3C3CC3)c12)[*:1]
Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCCCn3nccc3C3CC3)c12 c1cc(C2CC2)n(C[*:1])n1 Cc1noc2nc(cc(C(=O)NCC[*:1])c12)-c1cnn(C)c1
Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCCCn3nccc3C3CC3)c12 C1CC1[*:1] Cc1noc2nc(cc(C(=O)NCCCn3nccc3[*:1])c12)-c1cnn(C)c1
Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCCCn3nccc3C3CC3)c12 c1cc(C2CC2)n(n1)[*:1] Cc1noc2nc(cc(C(=O)NCCC[*:1])c12)-c1cnn(C)c1
Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCCCn3nccc3C3CC3)c12 c1cc(C2CC2)n(CC[*:1])n1 Cc1noc2nc(cc(C(=O)NC[*:1])c12)-c1cnn(C)c1
CCc1cnc(CN(C)S(=O)(=O)c2cn(C)cn2)s1 Cn1cnc(c1)[*:1] CCc1cnc(CN(C)S(=O)(=O)[*:1])s1
Fc1ccc2c(c1)C[C@@H](c1nc(COc3ccccc3)no1)CO2 c1ccc(cc1)[*:1] Fc1ccc2OC[C@@H](Cc2c1)c1nc(CO[*:1])no1
Fc1ccc2c(c1)C[C@@H](c1nc(COc3ccccc3)no1)CO2 c1ccc(cc1)O[*:1] Fc1ccc2OC[C@@H](Cc2c1)c1nc(C[*:1])no1
Fc1ccc2c(c1)C[C@@H](c1nc(COc3ccccc3)no1)CO2 c1ccc(cc1)OC[*:1] Fc1ccc2OC[C@@H](Cc2c1)c1nc(no1)[*:1]
O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccn1)[*:1]
O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccccn1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])N[C@H](c1ccccc1)c1ccccn1
O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccccn1 C1CO[C@@H](C1)C[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)N[*:1]
O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] O=C(NC[C@@H]1CCCO1)N[C@H](c1ccccc1)[*:1]
COCCNC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 COC[*:1] C[C@@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)SCC(=O)NC[*:1]
COCCNC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 COCCNC(=O)C[*:1] C[C@@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)S[*:1]
COCCNC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 COCCNC(=O)[*:1] C[C@@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)SC[*:1]
COCCNC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 COCC[*:1] C[C@@H]1CCc2c(C1)sc1nc([nH]c(=O)c21)SCC(=O)N[*:1]
COC(C)(C)CNC(=O)CCn1cc([N+](=O)[O-])cn1 COC(C)(C)C[*:1] O=C(CCn1cc(cn1)[N+](=O)[O-])N[*:1]
COC(C)(C)CNC(=O)CCn1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] COC(C)(C)CNC(=O)CCn1cc(cn1)[*:1]
COC(C)(C)CNC(=O)CCn1cc([N+](=O)[O-])cn1 COC(C)(C)[*:1] O=C(CCn1cc(cn1)[N+](=O)[O-])NC[*:1]
O=C(CCC1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCC1CCN(CC1)C(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2)N1CCN(CC1)[*:1]
CC/C=C/COC(=O)c1ccn(C(C)C)n1 CC/C=C/C[*:1] CC(C)n1ccc(n1)C(=O)O[*:1]
CC/C=C/COC(=O)c1ccn(C(C)C)n1 CC(C)[*:1] CC/C=C/COC(=O)c1ccn(n1)[*:1]
CC/C=C/COC(=O)c1ccn(C(C)C)n1 CCC=C[*:1] CC(C)n1ccc(n1)C(=O)OC[*:1]
OCCCNc1cc(-c2ccccn2)nc(-c2cccnc2)n1 OCC[*:1] c1ccc(nc1)-c1cc(nc(n1)-c1cccnc1)NC[*:1]
OCCCNc1cc(-c2ccccn2)nc(-c2cccnc2)n1 OCCCN[*:1] c1ccc(nc1)-c1cc(nc(n1)-c1cccnc1)[*:1]
OCCCNc1cc(-c2ccccn2)nc(-c2cccnc2)n1 c1ccc(nc1)[*:1] OCCCNc1cc(nc(n1)-c1cccnc1)[*:1]
OCCCNc1cc(-c2ccccn2)nc(-c2cccnc2)n1 OCCC[*:1] c1ccc(nc1)-c1cc(nc(n1)-c1cccnc1)N[*:1]
OCCCNc1cc(-c2ccccn2)nc(-c2cccnc2)n1 c1cncc(c1)[*:1] OCCCNc1cc(nc(n1)[*:1])-c1ccccn1
Fc1cc(CBr)cc(F)c1OCCc1cccs1 c1csc(c1)[*:1] Fc1cc(cc(F)c1OCC[*:1])CBr
Fc1cc(CBr)cc(F)c1OCCc1cccs1 c1csc(c1)C[*:1] Fc1cc(cc(F)c1OC[*:1])CBr
Cc1cc(C)n(CCC(=O)N2CCCC[C@@H]2c2nc(C)no2)n1 Cc1cc(C)n(n1)[*:1] Cc1noc(n1)[C@H]1CCCCN1C(=O)CC[*:1]
Cc1cc(C)n(CCC(=O)N2CCCC[C@@H]2c2nc(C)no2)n1 Cc1noc(n1)[*:1] Cc1cc(C)n(CCC(=O)N2CCCC[C@H]2[*:1])n1
Cc1ccn2nc(NCCc3cscn3)nc2c1 c1nc(cs1)[*:1] Cc1ccn2nc(nc2c1)NCC[*:1]
Cc1ccn2nc(NCCc3cscn3)nc2c1 c1nc(cs1)C[*:1] Cc1ccn2nc(nc2c1)NC[*:1]
CCn1ncnc1[C@H](C)NCc1cc(=O)c2cc(C)ccc2[nH]1 CCn1ncnc1[*:1] Cc1ccc2[nH]c(cc(=O)c2c1)CN[C@@H](C)[*:1]
COC(=O)[C@H](C)SCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 COC(=O)[*:1] C[C@H](SCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[*:1]
COC(=O)[C@H](C)SCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 COC(=O)[C@H](C)[*:1] CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CS[*:1]
COC(=O)[C@H](C)SCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 COC(=O)[C@H](C)S[*:1] CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 CC(=O)[*:1] C[C@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] CC(=O)c1cccc(c1)NC(=O)[C@H](C)Sc1ccc(cc1)[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)ccc1Cl CCN(CC)S(=O)(=O)[*:1] CN(C)N(C(=O)c1ccc(Cl)c(c1)[*:1])[C@H]1CCS(=O)(=O)C1
Cc1csc([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
Cc1csc([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] Cc1csc(n1)[C@H](C)NC(=O)c1ccc(Cl)c(c1)[*:1]
C[C@H]1C[C@@H]1C(=O)Oc1cc(Cl)cc(Cl)c1 C[C@H]1C[C@H]1[*:1] O=C(Oc1cc(Cl)cc(Cl)c1)[*:1]
CC(C)C(=O)N1CC[C@@H](NC(=O)C[C@H](O)c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] CC(C)C(=O)N1CC[C@H](C1)NC(=O)C[C@H](O)[*:1]
CC(C)C(=O)N1CC[C@@H](NC(=O)C[C@H](O)c2cccc(F)c2)C1 CC(C)[*:1] O=C(C[C@H](O)c1cccc(F)c1)N[C@@H]1CCN(C1)C(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4ncccc4c3)c2)cc1F Cc1ccc(cc1F)[*:1] O=C(Nc1ccc2ncccc2c1)c1cccc(c1)NS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4ncccc4c3)c2)cc1F c1cnc2ccc(cc2c1)[*:1] Cc1ccc(cc1F)S(=O)(=O)Nc1cccc(c1)C(=O)N[*:1]
N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCC(=O)Nc1cccnc1 O=C(Nc1cccnc1)[*:1] N#Cc1c(cc(nc1SC[*:1])-c1ccc(F)cc1)C(F)(F)F
N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCC(=O)Nc1cccnc1 Fc1ccc(cc1)[*:1] N#Cc1c(cc(nc1SCC(=O)Nc1cccnc1)[*:1])C(F)(F)F
N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCC(=O)Nc1cccnc1 FC(F)(F)[*:1] N#Cc1c(cc(nc1SCC(=O)Nc1cccnc1)-c1ccc(F)cc1)[*:1]
N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCC(=O)Nc1cccnc1 c1cncc(c1)[*:1] N#Cc1c(cc(nc1SCC(=O)N[*:1])-c1ccc(F)cc1)C(F)(F)F
N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCC(=O)Nc1cccnc1 O=C(C[*:1])Nc1cccnc1 N#Cc1c(cc(nc1S[*:1])-c1ccc(F)cc1)C(F)(F)F
CN1C(=O)CO[C@H](C(=O)Nc2cnn(CCc3ccccc3)c2)[C@H]1c1ccc(Cl)cc1 c1ccc(cc1)CC[*:1] CN1C(=O)CO[C@H](C(=O)Nc2cnn(c2)[*:1])[C@H]1c1ccc(Cl)cc1
CN1C(=O)CO[C@H](C(=O)Nc2cnn(CCc3ccccc3)c2)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)CO[C@H](C(=O)Nc2cnn(c2)CCc2ccccc2)[C@@H]1[*:1]
CN1C(=O)CO[C@H](C(=O)Nc2cnn(CCc3ccccc3)c2)[C@H]1c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] CN1C(=O)CO[C@H](C(=O)Nc2cnn(c2)C[*:1])[C@H]1c1ccc(Cl)cc1
CN1C(=O)CO[C@H](C(=O)Nc2cnn(CCc3ccccc3)c2)[C@H]1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CN1C(=O)CO[C@H](C(=O)Nc2cnn(c2)CC[*:1])[C@H]1c1ccc(Cl)cc1
O=C(COc1ccc(Cl)cc1Cl)N1CCC(N2CCCC2=O)CC1 O=C1CCCN1[*:1] O=C(COc1ccc(Cl)cc1Cl)N1CCC(CC1)[*:1]
O=C(COc1ccc(Cl)cc1Cl)N1CCC(N2CCCC2=O)CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(CO[*:1])N1CCC(CC1)N1CCCC1=O
CC(C)(C)/[NH+]=C(/N)SCc1nnnn1-c1ccccc1Br Brc1ccccc1[*:1] CC(C)(C)/[NH+]=C(/N)SCc1nnnn1[*:1]
CC(C)(C)/[NH+]=C(/N)SCc1nnnn1-c1ccccc1Br CC(C)(C)[*:1] NC(=[NH+][*:1])SCc1nnnn1-c1ccccc1Br
Cc1cc(NC(=O)CNC(=O)[C@@H](C)Oc2ccccc2)no1 c1ccc(cc1)O[*:1] Cc1cc(no1)NC(=O)CNC(=O)[C@@H](C)[*:1]
Cc1cc(NC(=O)CNC(=O)[C@@H](C)Oc2ccccc2)no1 Cc1cc(no1)[*:1] C[C@@H](Oc1ccccc1)C(=O)NCC(=O)N[*:1]
Cc1cc(NC(=O)CNC(=O)[C@@H](C)Oc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)CNC(=O)[C@@H](C)O[*:1]
C=C(C)Cc1ccccc1Br C=C(C)[*:1] Brc1ccccc1C[*:1]
CC[NH2+][C@H](COC)[C@H]1CCc2cccnc21 COC[*:1] CC[NH2+][C@H]([C@H]1CCc2cccnc21)[*:1]
COCCOc1ccc(C(=O)Nc2cn(C)c(=O)cc2C)cc1 COCC[*:1] Cc1cc(=O)n(C)cc1NC(=O)c1ccc(cc1)O[*:1]
COCCOc1ccc(C(=O)Nc2cn(C)c(=O)cc2C)cc1 COCCO[*:1] Cc1cc(=O)n(C)cc1NC(=O)c1ccc(cc1)[*:1]
COCCOc1ccc(C(=O)Nc2cn(C)c(=O)cc2C)cc1 COC[*:1] Cc1cc(=O)n(C)cc1NC(=O)c1ccc(cc1)OC[*:1]
COc1ccc([C@H]2C[NH+]=C(N)N2C[C@@H]2CCCO2)cc1Cl C1CO[C@@H](C1)C[*:1] COc1ccc(cc1Cl)[C@H]1C[NH+]=C(N)N1[*:1]
COc1ccc([C@H]2C[NH+]=C(N)N2C[C@@H]2CCCO2)cc1Cl C1CO[C@@H](C1)[*:1] COc1ccc(cc1Cl)[C@H]1C[NH+]=C(N)N1C[*:1]
Cc1ccc(S(=O)(=O)N(CCCc2c(C)nc(N)nc2Cl)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CCCc1c(C)nc(N)nc1Cl)[*:1]
Cc1ccc(S(=O)(=O)N(CCCc2c(C)nc(N)nc2Cl)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(N)nc(Cl)c1CCCN(c1ccccc1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N(CCCc2c(C)nc(N)nc2Cl)c2ccccc2)cc1 Cc1nc(N)nc(Cl)c1[*:1] Cc1ccc(cc1)S(=O)(=O)N(CCC[*:1])c1ccccc1
O=C(N[C@H](CO)C(=O)[O-])c1ccc2noc(-c3ccccc3)c2c1 c1ccc(cc1)[*:1] O=C(N[C@H](CO)C(=O)[O-])c1ccc2noc(c2c1)[*:1]
O=C(N[C@H](CO)C(=O)[O-])c1ccc2noc(-c3ccccc3)c2c1 O=C([O-])[*:1] O=C(N[C@H](CO)[*:1])c1ccc2noc(-c3ccccc3)c2c1
C/C=C(C)\C=C\C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 C/C=C(/C)C=C[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
C/C=C(C)\C=C\C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 CC=C(C)[*:1] O=C(C=C[*:1])Nc1cnn(c1)CC[NH+]1CCCCC1
Cc1nnc(-c2ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)cc2)o1 Cc1nnc(o1)[*:1] CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(cc1)[*:1]
Cc1nnc(-c2ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)cc2)o1 CC(C)[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)N(CC[NH+](C)C)C[*:1]
Cc1nnc(-c2ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)cc2)o1 CC(C)C[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)N(CC[NH+](C)C)[*:1]
CC(=O)c1nc(-c2ccc(O)cc2)n2ccccc12 CC(=O)[*:1] Oc1ccc(cc1)-c1nc(c2ccccn12)[*:1]
COCCC1(C[NH2+][C@H](C)c2c[nH]c3cc(Cl)ccc23)CC1 COCCC1(CC1)[*:1] C[C@@H]([NH2+]C[*:1])c1c[nH]c2cc(Cl)ccc12
COCCC1(C[NH2+][C@H](C)c2c[nH]c3cc(Cl)ccc23)CC1 COCC[*:1] C[C@@H]([NH2+]CC1(CC1)[*:1])c1c[nH]c2cc(Cl)ccc12
COCCC1(C[NH2+][C@H](C)c2c[nH]c3cc(Cl)ccc23)CC1 COC[*:1] C[C@@H]([NH2+]CC1(CC1)C[*:1])c1c[nH]c2cc(Cl)ccc12
Cc1ccc2[nH]c(=O)c(-c3noc(CCCC(=O)Nc4ccccc4F)n3)cc2c1 O=C(Nc1ccccc1F)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)-c1noc(CCC[*:1])n1
Cc1ccc2[nH]c(=O)c(-c3noc(CCCC(=O)Nc4ccccc4F)n3)cc2c1 Fc1ccccc1[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)-c1noc(CCCC(=O)N[*:1])n1
CN1C[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1=O Fc1ccc(cc1)[*:1] CN1C[C@H](CC1=O)C(=O)N1CCO[C@@H](C1)[*:1]
CN1C[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1=O CN1C[C@@H](CC1=O)[*:1] O=C(N1CCO[C@H](C1)c1ccc(F)cc1)[*:1]
CCCC(=O)N1CCC[C@H](c2ccnc(-c3cccc(F)c3)n2)C1 Fc1cccc(c1)[*:1] CCCC(=O)N1CCC[C@@H](C1)c1ccnc(n1)[*:1]
CCCC(=O)N1CCC[C@H](c2ccnc(-c3cccc(F)c3)n2)C1 CCC[*:1] O=C(N1CCC[C@@H](C1)c1ccnc(n1)-c1cccc(F)c1)[*:1]
O=C([O-])C[C@@H](C(=O)Nc1ccc(F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C([O-])C[C@@H](C(=O)Nc1ccc(F)cc1)[*:1]
O=C([O-])C[C@@H](C(=O)Nc1ccc(F)cc1)[C@@H]1CCCO1 O=C([O-])[*:1] O=C(Nc1ccc(F)cc1)[C@H](C[*:1])[C@@H]1CCCO1
O=C(CCn1cncn1)NN1Cc2ccccc2C1 c1ncn(n1)[*:1] O=C(CC[*:1])NN1Cc2ccccc2C1
O=C(CCn1cncn1)NN1Cc2ccccc2C1 c1ncn(C[*:1])n1 O=C(C[*:1])NN1Cc2ccccc2C1
Cc1c(N)cccc1SC[C@H](O)CO OC[C@@H](O)[*:1] Cc1c(N)cccc1SC[*:1]
Cc1c([C@H](C[NH3+])N2CCCCc3ccccc32)cnn1C Cc1c(cnn1C)[*:1] [NH3+]C[C@H](N1CCCCc2ccccc21)[*:1]
Cc1cc(Cl)ccc1OCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1OCC(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1cc(Cl)ccc1OCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C Cc1cc(Cl)ccc1[*:1] C[NH+](C)[C@@H](CNC(=O)CO[*:1])c1ccccc1
C=CCN(Cc1ncc(-c2cccc(F)c2)o1)S(=O)(=O)C(C)(C)C Fc1cccc(c1)[*:1] C=CCN(Cc1ncc(o1)[*:1])S(=O)(=O)C(C)(C)C
C=CCN(Cc1ncc(-c2cccc(F)c2)o1)S(=O)(=O)C(C)(C)C C=CC[*:1] CC(C)(C)S(=O)(=O)N(Cc1ncc(o1)-c1cccc(F)c1)[*:1]
C=CCN(Cc1ncc(-c2cccc(F)c2)o1)S(=O)(=O)C(C)(C)C CC(C)(C)[*:1] C=CCN(Cc1ncc(o1)-c1cccc(F)c1)S(=O)(=O)[*:1]
CCOCCNc1ncc([N+](=O)[O-])cc1Br CCOC[*:1] O=[N+]([O-])c1cnc(NC[*:1])c(Br)c1
CCOCCNc1ncc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] CCOCCNc1ncc(cc1Br)[*:1]
CCOCCNc1ncc([N+](=O)[O-])cc1Br CCOCC[*:1] O=[N+]([O-])c1cnc(N[*:1])c(Br)c1
CCOCCNc1ncc([N+](=O)[O-])cc1Br CCO[*:1] O=[N+]([O-])c1cnc(NCC[*:1])c(Br)c1
O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 C1CCN(CC1)[*:1] O=S(=O)(c1ccc(F)cc1)N1CCN(CC1)c1ccnc(n1)[*:1]
O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)c1ccnc(n1)N1CCCCC1)[*:1]
Cc1cccc2[nH]c(CCNC(=O)[C@@H]3C=C(COc4ccc(F)cc4F)ON3)nc12 Cc1cccc2[nH]c(nc12)[*:1] O=C(NCC[*:1])[C@@H]1C=C(COc2ccc(F)cc2F)ON1
Cc1cccc2[nH]c(CCNC(=O)[C@@H]3C=C(COc4ccc(F)cc4F)ON3)nc12 Fc1ccc(O[*:1])c(F)c1 Cc1cccc2[nH]c(CCNC(=O)[C@@H]3C=C(C[*:1])ON3)nc12
Cc1cccc2[nH]c(CCNC(=O)[C@@H]3C=C(COc4ccc(F)cc4F)ON3)nc12 Fc1ccc(c(F)c1)[*:1] Cc1cccc2[nH]c(CCNC(=O)[C@@H]3C=C(CO[*:1])ON3)nc12
Cc1cccc2[nH]c(CCNC(=O)[C@@H]3C=C(COc4ccc(F)cc4F)ON3)nc12 Fc1ccc(OC[*:1])c(F)c1 Cc1cccc2[nH]c(CCNC(=O)[C@@H]3C=C(ON3)[*:1])nc12
COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cnn(C)c1C COC(=O)[*:1] CC1Nc2ncnn2[C@H](C=1[*:1])c1cnn(C)c1C
COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cnn(C)c1C Cc1c(cnn1C)[*:1] COC(=O)C1=C(C)Nc2ncnn2[C@@H]1[*:1]
Cc1ccccc1NC(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)N1CCC(CC1)c1nn(C)c(=O)n1[*:1]
Cc1ccccc1NC(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1 Cc1ccccc1[*:1] Cn1nc(C2CCN(CC2)C(=O)N[*:1])n(-c2ccccc2)c1=O
CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)C(=O)N(CC)CC CCN(CC)C(=O)[*:1] CCc1nc2[C@H](CCCn2n1)[NH2+][C@@H](C)[*:1]
CCC[C@@H](O)CNC(=O)N[C@@H](C)c1cnn(C)c1 Cn1cc(cn1)[*:1] CCC[C@@H](O)CNC(=O)N[C@@H](C)[*:1]
CCC[C@@H](O)CNC(=O)N[C@@H](C)c1cnn(C)c1 CCC[C@@H](O)[*:1] C[C@H](NC(=O)NC[*:1])c1cnn(C)c1
CCC[C@@H](O)CNC(=O)N[C@@H](C)c1cnn(C)c1 CCC[C@@H](O)C[*:1] C[C@H](NC(=O)N[*:1])c1cnn(C)c1
CCC[C@@H](O)CNC(=O)N[C@@H](C)c1cnn(C)c1 CCC[*:1] C[C@H](NC(=O)NC[C@H](O)[*:1])c1cnn(C)c1
CCOC(=O)C[C@@H](C)CNC(=O)c1cccc(C)c1O CCOC(=O)C[*:1] Cc1cccc(C(=O)NC[C@H](C)[*:1])c1O
CCOC(=O)C[C@@H](C)CNC(=O)c1cccc(C)c1O CCOC(=O)[*:1] Cc1cccc(C(=O)NC[C@H](C)C[*:1])c1O
O=C(NCC(=O)N1CCC[C@@H]1CN1CCOCC1)c1ccoc1 c1cc(co1)[*:1] O=C(CNC(=O)[*:1])N1CCC[C@@H]1CN1CCOCC1
O=C(NCC(=O)N1CCC[C@@H]1CN1CCOCC1)c1ccoc1 C1CN(CCO1)[*:1] O=C(NCC(=O)N1CCC[C@@H]1C[*:1])c1ccoc1
O=C(NCC(=O)N1CCC[C@@H]1CN1CCOCC1)c1ccoc1 C1CN(CCO1)C[*:1] O=C(NCC(=O)N1CCC[C@H]1[*:1])c1ccoc1
COCCOC(=O)Nc1c(C)cccc1C COC[*:1] Cc1cccc(C)c1NC(=O)OC[*:1]
COCCOC(=O)Nc1c(C)cccc1C COCC[*:1] Cc1cccc(C)c1NC(=O)O[*:1]
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1nn(C)c2ccc(Cl)cc2c1=O COC(=O)[*:1] COc1cc(NC(=O)c2nn(C)c3ccc(Cl)cc3c2=O)c(cc1OC)[*:1]
O=C(Nc1cccc(N2CCCC2=O)c1)N1CC[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)N1CCCC1=O)N1CC[C@@H](C1)[*:1]
O=C(Nc1cccc(N2CCCC2=O)c1)N1CC[C@@H](c2ccccc2)C1 O=C1CCCN1[*:1] O=C(Nc1cccc(c1)[*:1])N1CC[C@H](C1)c1ccccc1
Cc1ccc(NC(=O)NCCc2nc(C(F)(F)F)cs2)s1 FC(F)(F)[*:1] Cc1ccc(NC(=O)NCCc2nc(cs2)[*:1])s1
Cc1ccc(NC(=O)NCCc2nc(C(F)(F)F)cs2)s1 Cc1ccc(s1)[*:1] O=C(NCCc1nc(cs1)C(F)(F)F)N[*:1]
O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 O=C(N1CCOCC1)[*:1] O=C(CCc1ccc(o1)-c1ccccc1)N1CCC[C@@H](C1)[*:1]
O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 c1ccc(cc1)[*:1] O=C(CCc1ccc(o1)[*:1])N1CCC[C@H](C1)C(=O)N1CCOCC1
CS[C@@H]1CCC[C@H](NC(=O)CC2(O)CCCC2)C1 OC1(CCCC1)[*:1] CS[C@@H]1CCC[C@@H](C1)NC(=O)C[*:1]
CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 Fc1cccc(c1)[*:1] CC[C@@H](c1ccc(F)cc1)N(C[*:1])C(=O)C1C=CC2=NS(=O)(=O)CCN2C=1
CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 Fc1ccc(cc1)[*:1] CC[C@@H](N(Cc1cccc(F)c1)C(=O)C1C=CC2=NS(=O)(=O)CCN2C=1)[*:1]
CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 Fc1cccc(c1)C[*:1] CC[C@@H](c1ccc(F)cc1)N(C(=O)C1C=CC2=NS(=O)(=O)CCN2C=1)[*:1]
CC[C@@H](c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 CC[C@@H](c1ccc(F)cc1)[*:1] O=C(C1C=CC2=NS(=O)(=O)CCN2C=1)N(Cc1cccc(F)c1)[*:1]
O=C(NC(=S)NNC(=O)c1ccccc1O)c1ccc([N+](=O)[O-])cc1 Oc1ccccc1[*:1] O=C(NC(=S)NNC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(NC(=S)NNC(=O)c1ccccc1O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NC(=S)NNC(=O)c1ccccc1O)c1ccc(cc1)[*:1]
O[C@@H](COc1ccc2oc3c(c2c1)CCCC3)CN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O[C@@H](COc1ccc2oc3CCCCc3c2c1)CN1CCN(CC1)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CSc1nc(C2CC2)n(n1)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)C1 C1CC1[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CSc1nc(n(n1)-c1ccccc1)[*:1]
O=C1N[C@@H](c2ccccc2F)c2c1oc1ccccc1c2=O Fc1ccccc1[*:1] O=C1N[C@@H](c2c1oc1ccccc1c2=O)[*:1]
CCCCNC(=O)Cc1c(C)nc2nc(SC)nn2c1C CCC[*:1] CSc1nc2nc(C)c(CC(=O)NC[*:1])c(C)n2n1
CCCCNC(=O)Cc1c(C)nc2nc(SC)nn2c1C CCCC[*:1] CSc1nc2nc(C)c(CC(=O)N[*:1])c(C)n2n1
CCCCNC(=O)Cc1c(C)nc2nc(SC)nn2c1C CCCCNC(=O)[*:1] CSc1nc2nc(C)c(C[*:1])c(C)n2n1
CCc1nc(C[NH2+]C[C@H]2C[C@]23CCc2ccccc23)cs1 CCc1nc(cs1)[*:1] c1ccc2c(c1)CC[C@]21C[C@@H]1C[NH2+]C[*:1]
COc1ccc2c(c1)[C@H]([C@@H](C)Br)CCC2 C[C@@H](Br)[*:1] COc1ccc2CCC[C@@H](c2c1)[*:1]
COc1ccc(CNC(=O)c2nccnc2N)cc1OC Nc1nccnc1[*:1] COc1ccc(cc1OC)CNC(=O)[*:1]
CC(C)[NH2+]CC[C@H](c1ccccc1)c1cc(C(=O)[O-])ccc1O c1ccc(cc1)[*:1] CC(C)[NH2+]CC[C@H](c1cc(ccc1O)C(=O)[O-])[*:1]
CC(C)[NH2+]CC[C@H](c1ccccc1)c1cc(C(=O)[O-])ccc1O CC(C)[*:1] O=C([O-])c1ccc(O)c(c1)[C@H](CC[NH2+][*:1])c1ccccc1
CC(C)[NH2+]CC[C@H](c1ccccc1)c1cc(C(=O)[O-])ccc1O O=C([O-])[*:1] CC(C)[NH2+]CC[C@H](c1ccccc1)c1cc(ccc1O)[*:1]
CC(C)(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)N1CCS(=O)CC1 c1ccc(cc1)[*:1] CC(C)(C[NH2+][C@@H](C[C@H]1CCOC1)[*:1])N1CCS(=O)CC1
CC(C)(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)N1CCS(=O)CC1 C1C[C@@H](CO1)[*:1] CC(C)(C[NH2+][C@@H](C[*:1])c1ccccc1)N1CCS(=O)CC1
CC(C)(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)N1CCS(=O)CC1 O=S1CCN(CC1)[*:1] CC(C)(C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)[*:1]
CC1=NC(SCc2cccc(C)c2)=NC(=O)[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CC1=NC(=NC(=O)[C@H]1[*:1])SCc1cccc(C)c1
CC1=NC(SCc2cccc(C)c2)=NC(=O)[C@@H]1Cc1ccccc1 Cc1cccc(c1)[*:1] CC1=NC(=NC(=O)[C@@H]1Cc1ccccc1)SC[*:1]
CC1=NC(SCc2cccc(C)c2)=NC(=O)[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CC1=NC(=NC(=O)[C@@H]1C[*:1])SCc1cccc(C)c1
CC1=NC(SCc2cccc(C)c2)=NC(=O)[C@@H]1Cc1ccccc1 Cc1cccc(c1)C[*:1] CC1=NC(=NC(=O)[C@@H]1Cc1ccccc1)S[*:1]
COc1ccc(N2C(=O)C(c3c(C(C)C)nn(-c4ccccc4)c3O)=C([n+]3ccccc3)C2=O)cc1 COc1ccc(cc1)[*:1] CC(C)c1nn(-c2ccccc2)c(O)c1C1C(=O)N(C(=O)C=1[n+]1ccccc1)[*:1]
COc1ccc(N2C(=O)C(c3c(C(C)C)nn(-c4ccccc4)c3O)=C([n+]3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C(=C(C1=O)[n+]1ccccc1)c1c(nn(c1O)[*:1])C(C)C
COc1ccc(N2C(=O)C(c3c(C(C)C)nn(-c4ccccc4)c3O)=C([n+]3ccccc3)C2=O)cc1 c1cc[n+](cc1)[*:1] COc1ccc(cc1)N1C(=O)C(=C(C1=O)[*:1])c1c(nn(-c2ccccc2)c1O)C(C)C
COc1ccc(N2C(=O)C(c3c(C(C)C)nn(-c4ccccc4)c3O)=C([n+]3ccccc3)C2=O)cc1 CC(C)[*:1] COc1ccc(cc1)N1C(=O)C(=C(C1=O)[n+]1ccccc1)c1c(nn(-c2ccccc2)c1O)[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 CC(C)(C)[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)C(=O)Nc1ccnn1[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 CC(C)(C)n1nccc1[*:1] O=C(NC[C@H]1C[C@@]12CCc1ccccc12)C(=O)N[*:1]
O=C(CCCl)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 O=C(CCCl)N[*:1] O=C(CSc1nnc(s1)[*:1])N1CCCc2ccccc21
O=C(CCCl)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 ClCC[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)N1CCCc2ccccc21
CC[C@H](C)NC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1 CC[C@H](C)[*:1] Cc1cccc(c1)[C@H]1CC[C@H](CN1C(=O)C1CCCC1)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1 CC[C@H](C)NC(=O)[*:1] Cc1cccc(c1)[C@H]1CC[C@H](CN1C(=O)C1CCCC1)[*:1]
CC[C@H](C)NC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1 Cc1cccc(c1)[*:1] CC[C@H](C)NC(=O)[C@@H]1CC[C@H](N(C1)C(=O)C1CCCC1)[*:1]
CC[C@H](C)NC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1 C1CCC(C1)[*:1] CC[C@H](C)NC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)N(C1)C(=O)[*:1]
Cc1ccnc(-n2ncc(S(C)(=O)=O)c2N)c1 CS(=O)(=O)[*:1] Cc1ccnc(c1)-n1ncc(c1N)[*:1]
CC[C@@H](CC[NH3+])n1cc[nH+]c1 [NH3+]CC[*:1] CC[C@@H](n1cc[nH+]c1)[*:1]
C[C@H](Nc1ccc(CC#N)cc1)c1ccoc1 N#CC[*:1] C[C@H](Nc1ccc(cc1)[*:1])c1ccoc1
C[C@H](Nc1ccc(CC#N)cc1)c1ccoc1 c1cc(co1)[*:1] C[C@H](Nc1ccc(cc1)CC#N)[*:1]
CN([C@H]1CC[C@@](C#N)(NC2CC2)C1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] CN([C@H]1CC[C@](C#N)(C1)N[*:1])[C@@H]1CCS(=O)(=O)C1
CN([C@H]1CC[C@@](C#N)(NC2CC2)C1)[C@@H]1CCS(=O)(=O)C1 C1CC1N[*:1] CN([C@H]1CC[C@@](C#N)(C1)[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1nc(C2CC2)n2ccccc12 C1CC1[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1nc(n2ccccc12)[*:1]
Cc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1cc(no1)[*:1]
Cc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1cc(no1)-c1ccccc1
CCOC(=O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 CCOC(=O)C[*:1] C[C@@H]1CN([C@H](CO1)c1ccccc1)[*:1]
CCOC(=O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)CN1C[C@@H](C)OC[C@H]1[*:1]
CCOC(=O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 CCOC(=O)[*:1] C[C@@H]1CN(C[*:1])[C@H](CO1)c1ccccc1
CCOc1ccc(Br)cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 CCO[*:1] O=C(c1cc(Br)ccc1[*:1])N1CC[NH+](CC1)Cc1ccccc1
CCOc1ccc(Br)cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCOc1ccc(Br)cc1C(=O)N1CC[NH+](CC1)[*:1]
CCOc1ccc(Br)cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] CCOc1ccc(Br)cc1C(=O)N1CC[NH+](CC1)C[*:1]
OC(c1ccccc1)(c1ccccc1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] OC(c1ccccc1)(c1ccc2OCOc2c1)[*:1]
CC(C)(C)C(=O)NCCNC(=O)C=C1CCSCC1 CC(C)(C)[*:1] O=C(C=C1CCSCC1)NCCNC(=O)[*:1]
COc1ccc(C(=O)CCC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccccn2)cc1 COc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccccn1
COc1ccc(C(=O)CCC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccccn2)cc1 COc1ccc(cc1)C(=O)[*:1] O=C(CC[*:1])N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccccn1
COc1ccc(C(=O)CCC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccccn2)cc1 COc1ccc(cc1)C(=O)C[*:1] O=C(C[*:1])N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccccn1
COc1ccc(C(=O)CCC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)C(=O)CCC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)COc1c(Cl)cccc1Cl
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)CO[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1O[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)C[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1OC[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)[*:1]
CCC(CC)NC(=O)c1cc2ccccc2[nH]1 CCC(CC)[*:1] O=C(N[*:1])c1cc2ccccc2[nH]1
CC(C)c1nnnn1CC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)c1nnnn1CC(=O)Nc1ccccc1[*:1]
CC(C)c1nnnn1CC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(Cn1nnnc1[*:1])Nc1ccccc1-c1nc2ccccc2[nH]1
CC(C)c1nnnn1CC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 CC(C)c1nnnn1C[*:1] O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[*:1]
CC(C)c1nnnn1CC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 CC(C)c1nnnn1[*:1] O=C(C[*:1])Nc1ccccc1-c1nc2ccccc2[nH]1
CS(=O)(=O)c1snnc1[C@@H]1CCC[NH2+]C1 CS(=O)(=O)[*:1] C1C[NH2+]C[C@@H](C1)c1nnsc1[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 COc1ccccc1[*:1] CC(C)CC(=O)Nc1ccc(cc1)NC(=O)N1CCC[C@H]1[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 CC(C)CC(=O)N[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 CC(C)[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(cc1)NC(=O)C[*:1]
COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 CC(C)C[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(CC1)OC[*:1]
CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(CC1)O[*:1]
CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 C1CO[C@H](C1)CO[*:1] CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(CC1)[*:1]
CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 Cc1cccc(c1)[*:1] CC[C@@H](O[*:1])C(=O)N1CCC(CC1)OC[C@H]1CCCO1
CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 Cc1cccc(c1)O[*:1] CC[C@@H](C(=O)N1CCC(CC1)OC[C@H]1CCCO1)[*:1]
COC(=O)c1c(C)cccc1NCC(=O)Nc1cc(C)no1 COC(=O)[*:1] Cc1cc(NC(=O)CNc2cccc(C)c2[*:1])on1
COC(=O)c1c(C)cccc1NCC(=O)Nc1cc(C)no1 Cc1cc(on1)[*:1] COC(=O)c1c(C)cccc1NCC(=O)N[*:1]
CC1(C)CN(C(=O)c2ccc(-n3cnnn3)cc2Cl)CCS1 c1nnnn1[*:1] CC1(C)CN(CCS1)C(=O)c1ccc(cc1Cl)[*:1]
Cc1cc(N2CCN(C[C@@H](O)CN3C[C@H](C)O[C@H](C)C3)CC2)nc(C)[nH+]1 C[C@H]1CN(C[C@@H](C)O1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCN(CC1)C[C@@H](O)C[*:1]
CCOc1ccc([C@H](C)Nc2cn[nH]c(=O)c2Cl)cc1OCC CCO[*:1] CCOc1cc(ccc1[*:1])[C@H](C)Nc1cn[nH]c(=O)c1Cl
CCOc1ccc([C@H](C)Nc2cn[nH]c(=O)c2Cl)cc1OCC CCO[*:1] CCOc1ccc(cc1[*:1])[C@H](C)Nc1cn[nH]c(=O)c1Cl
O=C(NCCC(=O)N1CCCC1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 O=C(N1CCCC1)[*:1] O=C(NCC[*:1])N[C@H](CC(F)(F)F)c1ccc(F)cc1
O=C(NCCC(=O)N1CCCC1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] O=C(NCCC(=O)N1CCCC1)N[C@H](c1ccc(F)cc1)[*:1]
O=C(NCCC(=O)N1CCCC1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(NCCC(=O)N1CCCC1)N[C@H](C[*:1])c1ccc(F)cc1
O=C(NCCC(=O)N1CCCC1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 O=C(C[*:1])N1CCCC1 O=C(NC[*:1])N[C@H](CC(F)(F)F)c1ccc(F)cc1
O=C(NCCC(=O)N1CCCC1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCC(=O)N1CCCC1)N[C@H](CC(F)(F)F)[*:1]
O=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2ccc(O)cc2)N1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2ccc(O)cc2)N1[*:1]
O=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2ccc(O)cc2)N1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C1/C(=C/c2ccc(O)cc2)SC(=N[*:1])N1c1ccc(O)cc1
O=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2ccc(O)cc2)N1c1ccc(O)cc1 Oc1ccc(cc1)[*:1] O=C1C(=C[*:1])S/C(=N\c2ccc(O)cc2)N1c1ccc(O)cc1
NC(=S)c1ccc(C(F)(F)F)nc1N[C@@H]1CCCC[C@H]1O NC(=S)[*:1] O[C@@H]1CCCC[C@H]1Nc1nc(ccc1[*:1])C(F)(F)F
NC(=S)c1ccc(C(F)(F)F)nc1N[C@@H]1CCCC[C@H]1O O[C@@H]1CCCC[C@H]1[*:1] NC(=S)c1ccc(nc1N[*:1])C(F)(F)F
NC(=S)c1ccc(C(F)(F)F)nc1N[C@@H]1CCCC[C@H]1O FC(F)(F)[*:1] NC(=S)c1ccc(nc1N[C@@H]1CCCC[C@H]1O)[*:1]
COc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c(C)c1 c1cc(ccn1)[*:1] COc1ccc(c(C)c1)S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
COc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c(C)c1 COc1ccc(c(C)c1)[*:1] O=C(c1ccncc1)N1CCC(CC1)CNS(=O)(=O)[*:1]
Cc1cnn(CCC(=O)N2N=CC[C@]2(O)C(F)(F)F)c1 Cc1cnn(c1)[*:1] O=C(CC[*:1])N1N=CC[C@]1(O)C(F)(F)F
Cc1cnn(CCC(=O)N2N=CC[C@]2(O)C(F)(F)F)c1 FC(F)(F)[*:1] Cc1cnn(c1)CCC(=O)N1N=CC[C@@]1(O)[*:1]
CCc1cnc(CCNC(=O)c2ccc(C[NH+](C)C)cc2)s1 CCc1cnc(s1)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)NCC[*:1]
CC(=O)c1ccc(NC(=O)c2cc(C)on2)cc1 Cc1cc(no1)[*:1] CC(=O)c1ccc(cc1)NC(=O)[*:1]
CC(=O)c1ccc(NC(=O)c2cc(C)on2)cc1 CC(=O)[*:1] Cc1cc(no1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1cc(C)nn1-c1nc(-c2cccs2)cs1 c1csc(c1)[*:1] CC(=O)Nc1cc(C)nn1-c1nc(cs1)[*:1]
CC(=O)Nc1cc(C)nn1-c1nc(-c2cccs2)cs1 CC(=O)N[*:1] Cc1cc(n(n1)-c1nc(cs1)-c1cccs1)[*:1]
OC[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1nncs1 c1nnc(S[*:1])s1 OC[C@]1(CCC[C@@H]1CC[*:1])[NH2+]C1CC1
OC[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1nncs1 C1CC1[*:1] OC[C@]1(CCC[C@@H]1CCSc1nncs1)[NH2+][*:1]
OC[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCSc1nncs1 c1nnc(s1)[*:1] OC[C@]1(CCC[C@@H]1CCS[*:1])[NH2+]C1CC1
O=C(NCc1ncc[nH]1)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 c1c[nH]c(C[*:1])n1 O=C(Nc1ccc(cc1)C(=O)N1CCC[C@@H]1c1ccccc1)N[*:1]
O=C(NCc1ncc[nH]1)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 c1c[nH]c(n1)[*:1] O=C(NC[*:1])Nc1ccc(cc1)C(=O)N1CCC[C@@H]1c1ccccc1
O=C(NCc1ncc[nH]1)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(NCc1ncc[nH]1)Nc1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
COC(=O)c1nc(C(C)C)oc1N COC(=O)[*:1] CC(C)c1nc(c(N)o1)[*:1]
COC(=O)c1nc(C(C)C)oc1N CC(C)[*:1] COC(=O)c1nc(oc1N)[*:1]
CC1=Nc2nc(CCCO)nn2[C@@H](c2ccc(F)cc2)[C@H]1C(N)=O NC(=O)[*:1] CC1=Nc2nc(CCCO)nn2[C@@H](c2ccc(F)cc2)[C@@H]1[*:1]
CC1=Nc2nc(CCCO)nn2[C@@H](c2ccc(F)cc2)[C@H]1C(N)=O OCCC[*:1] CC1=Nc2nc(nn2[C@@H](c2ccc(F)cc2)[C@H]1C(N)=O)[*:1]
CC1=Nc2nc(CCCO)nn2[C@@H](c2ccc(F)cc2)[C@H]1C(N)=O Fc1ccc(cc1)[*:1] CC1=Nc2nc(CCCO)nn2[C@@H]([C@H]1C(N)=O)[*:1]
CC1=Nc2nc(CCCO)nn2[C@@H](c2ccc(F)cc2)[C@H]1C(N)=O OCC[*:1] CC1=Nc2nc(C[*:1])nn2[C@@H](c2ccc(F)cc2)[C@H]1C(N)=O
CC[C@H](NC(=O)NCc1ccc(F)c(COC)c1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@H](NC(=O)NCc1ccc(F)c(c1)COC)[*:1]
CC[C@H](NC(=O)NCc1ccc(F)c(COC)c1)c1cc(F)ccc1F COC[*:1] CC[C@H](NC(=O)NCc1ccc(F)c(c1)[*:1])c1cc(F)ccc1F
CCCn1c(SC/C=C/Cl)nc2ccccc2c1=O Cl/C=C/C[*:1] CCCn1c(nc2ccccc2c1=O)S[*:1]
CCCn1c(SC/C=C/Cl)nc2ccccc2c1=O CCC[*:1] O=c1c2ccccc2nc(SC/C=C/Cl)n1[*:1]
CCCn1c(SC/C=C/Cl)nc2ccccc2c1=O ClC=C[*:1] CCCn1c(nc2ccccc2c1=O)SC[*:1]
CCCn1c(SC/C=C/Cl)nc2ccccc2c1=O Cl/C=C/CS[*:1] CCCn1c(nc2ccccc2c1=O)[*:1]
CCCN(CCC)C(=O)NCc1ccc(Cl)cc1 CCC[*:1] CCCN(C(=O)NCc1ccc(Cl)cc1)[*:1]
Cc1ccccc1C(=O)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] Cc1ccccc1C(=O)[C@@H]1CCC[C@H](C1)[*:1]
C[C@H]1SCCC[C@@H]1Nc1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] C[C@H]1SCCC[C@@H]1Nc1cc(ccc1F)[*:1]
CCOc1cc(CNC(=O)N(C2CC2)[C@H](C)c2ccccc2F)ccn1 CCO[*:1] C[C@H](c1ccccc1F)N(C(=O)NCc1ccnc(c1)[*:1])C1CC1
CCOc1cc(CNC(=O)N(C2CC2)[C@H](C)c2ccccc2F)ccn1 C1CC1[*:1] CCOc1cc(ccn1)CNC(=O)N([C@H](C)c1ccccc1F)[*:1]
CCOc1cc(CNC(=O)N(C2CC2)[C@H](C)c2ccccc2F)ccn1 Fc1ccccc1[*:1] CCOc1cc(ccn1)CNC(=O)N(C1CC1)[C@H](C)[*:1]
COc1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)ccc1[N+](=O)[O-] Clc1ccccc1[*:1] COc1cc(ccc1[N+](=O)[O-])C(=O)Nc1cccc(c1)NC(=O)[*:1]
COc1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])C(=O)Nc1cccc(c1)NC(=O)c1ccccc1Cl
COc1cc(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)ccc1[N+](=O)[O-] O=C(N[*:1])c1ccccc1Cl COc1cc(ccc1[N+](=O)[O-])C(=O)Nc1cccc(c1)[*:1]
CC(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C CC(=O)N[*:1] CC(C)N(C(=O)Cn1c(nc2ccccc21)[C@H](C)[*:1])c1ccccc1
CC(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C c1ccc(cc1)[*:1] CC(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N(C(C)C)[*:1]
CC(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N(c1ccccc1)[*:1]
C[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2cccc(Br)c21 O=[N+]([O-])[*:1] C[C@@H]1C[C@H]([NH2+]CCn2cc(cn2)[*:1])c2cccc(Br)c21
Cc1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccsc2)c1Cl c1cc(cs1)[*:1] Cc1cccc(NC(=O)C(=O)NC[C@@H](O)[*:1])c1Cl
CN1CCc2c1[nH+]c1ccccc1c2NC(=O)C[NH+]1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CN1CCc2c1[nH+]c1ccccc1c2NC(=O)C[NH+]1CCN(CC1)C(=O)[*:1]
COc1cc(/C=C/C(=O)N2CCN(CC(F)(F)F)CC2)cc(OC)c1OC FC(F)(F)C[*:1] COc1cc(/C=C/C(=O)N2CCN(CC2)[*:1])cc(OC)c1OC
COc1cc(/C=C/C(=O)N2CCN(CC(F)(F)F)CC2)cc(OC)c1OC FC(F)(F)[*:1] COc1cc(/C=C/C(=O)N2CCN(CC2)C[*:1])cc(OC)c1OC
CC(C)(C)c1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cc1 CC(C)(C)[*:1] O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)NC[C@H]([C@H]1CCOC1)[*:1]
CCc1ccc(CCNC(=O)N(C)Cc2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] CCc1ccc(cc1)CCNC(=O)N(C)C[*:1]
Cc1cc(C)n(-c2ccc(N3CCO[C@H](C(N)=O)C3)nn2)n1 NC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCO[C@H](C1)[*:1]
Cc1cc(C)n(-c2ccc(N3CCO[C@H](C(N)=O)C3)nn2)n1 Cc1cc(C)n(n1)[*:1] NC(=O)[C@@H]1CN(CCO1)c1ccc(nn1)[*:1]
COc1ccc(-c2ccnc3nc(NC4CCCCC4)[nH]c(=O)c23)cc1OC C1CCC(CC1)N[*:1] COc1ccc(cc1OC)-c1ccnc2nc([nH]c(=O)c12)[*:1]
COc1ccc(-c2ccnc3nc(NC4CCCCC4)[nH]c(=O)c23)cc1OC C1CCC(CC1)[*:1] COc1ccc(cc1OC)-c1ccnc2nc(N[*:1])[nH]c(=O)c12
C[C@@H](Cc1cccs1)C(=O)N[C@@H](C#N)C(C)(C)C c1csc(c1)C[*:1] C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)[*:1]
C[C@@H](Cc1cccs1)C(=O)N[C@@H](C#N)C(C)(C)C CC(C)(C)[*:1] C[C@@H](Cc1cccs1)C(=O)N[C@@H](C#N)[*:1]
C[C@@H](Cc1cccs1)C(=O)N[C@@H](C#N)C(C)(C)C c1csc(c1)[*:1] C[C@@H](C[*:1])C(=O)N[C@@H](C#N)C(C)(C)C
O=C(CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1 c1cnc(nc1)[*:1] O=C(CCC(=O)N1CCN(CC1)[*:1])c1ccc(F)c(F)c1
O=C(CCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CCC(=O)[*:1])N1CCN(CC1)c1ncccn1
COc1ccc([C@@H]2CCCN2Cc2n[nH]c(=O)[nH]2)cc1 O=c1[nH]nc([nH]1)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C[*:1]
CCCC(=O)NCC(=O)N1CCC[NH+](C)CC1 CCC[*:1] C[NH+]1CCCN(CC1)C(=O)CNC(=O)[*:1]
CCCOc1ccc([C@H]2C[NH+]=C(N)N2CC)cc1 CCC[*:1] CCN1C(N)=[NH+]C[C@@H]1c1ccc(cc1)O[*:1]
CCCOc1ccc([C@H]2C[NH+]=C(N)N2CC)cc1 CCCO[*:1] CCN1C(N)=[NH+]C[C@@H]1c1ccc(cc1)[*:1]
O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1cccnc1 c1coc(c1)[*:1] O=C(N[C@]1(NC(=O)N(C[*:1])C1=O)C(F)(F)F)c1cccnc1
O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1cccnc1 c1cncc(c1)[*:1] O=C1N[C@](NC(=O)[*:1])(C(=O)N1Cc1ccco1)C(F)(F)F
O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1cccnc1 FC(F)(F)[*:1] O=C(N[C@]1(NC(=O)N(Cc2ccco2)C1=O)[*:1])c1cccnc1
O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1cccnc1 c1coc(c1)C[*:1] O=C(N[C@]1(NC(=O)N(C1=O)[*:1])C(F)(F)F)c1cccnc1
O=C(CCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)N1CCN(CC1)[*:1]
O=C(CCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)N1CCN(CC1)C[*:1]
[NH3+][C@@]1(C(=O)[O-])CC[C@H](SC2CCOCC2)C1 O=C([O-])[*:1] [NH3+][C@]1(CC[C@@H](C1)SC1CCOCC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C1CC1 CC[C@@H](C)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)c1cnn(c1C1CC1)[*:1]
Cc1ncc([C@@H](C)N[C@H](C)c2cccc(Cl)c2Cl)s1 Cc1ncc(s1)[*:1] C[C@@H](N[C@H](C)[*:1])c1cccc(Cl)c1Cl
CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](c2ccnn2C)S1 C1CC(CCO1)[*:1] CC1=Nc2c(c(O)nn2[*:1])[C@@H](S1)c1ccnn1C
CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](c2ccnn2C)S1 Cn1nccc1[*:1] CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](S1)[*:1]
Cc1ccccc1CNC(=O)[C@@H](C)OC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ccccc1CNC(=O)[C@@H](C)OC[*:1]
Cc1ccccc1CNC(=O)[C@@H](C)OC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1ccccc1CNC(=O)[C@@H](C)O[*:1]
Cc1cc(C)c(C(=O)N2CCN(c3ncccn3)CC2)c(=O)[nH]1 c1cnc(nc1)[*:1] Cc1cc(C)c(C(=O)N2CCN(CC2)[*:1])c(=O)[nH]1
Cc1cccc(C)c1N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 Cc1cccc(C)c1[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1cccc(C)c1N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 O=[N+]([O-])[*:1] Cc1cccc(C)c1N1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)[*:1]
CCCNC(=O)c1ccc(N[C@@H]2CCC(=O)N(C)C2)nc1 CCCNC(=O)[*:1] CN1C[C@@H](CCC1=O)Nc1ccc(cn1)[*:1]
CCCNC(=O)c1ccc(N[C@@H]2CCC(=O)N(C)C2)nc1 CCC[*:1] CN1C[C@@H](CCC1=O)Nc1ccc(cn1)C(=O)N[*:1]
Cc1ccccc1-c1noc(CN2CCN(Cc3cnc(C4CC4)s3)CC2)n1 Cc1ccccc1[*:1] c1nc(sc1CN1CCN(CC1)Cc1nc(no1)[*:1])C1CC1
Cc1ccccc1-c1noc(CN2CCN(Cc3cnc(C4CC4)s3)CC2)n1 c1nc(sc1C[*:1])C1CC1 Cc1ccccc1-c1noc(CN2CCN(CC2)[*:1])n1
Cc1ccccc1-c1noc(CN2CCN(Cc3cnc(C4CC4)s3)CC2)n1 c1nc(sc1[*:1])C1CC1 Cc1ccccc1-c1noc(CN2CCN(CC2)C[*:1])n1
Cc1ccccc1-c1noc(CN2CCN(Cc3cnc(C4CC4)s3)CC2)n1 C1CC1[*:1] Cc1ccccc1-c1noc(CN2CCN(CC2)Cc2cnc(s2)[*:1])n1
CCCn1cc[nH+]c1CN1CC[C@@](O)(C[NH+]2CCCCC2)C1 CCC[*:1] O[C@]1(CCN(Cc2[nH+]ccn2[*:1])C1)C[NH+]1CCCCC1
Cc1cccc(N2C(=O)C(Cl)=C(N3CCN(c4ccccc4)CC3)C2=O)c1C Cc1cccc(c1C)[*:1] O=C1C(Cl)=C(C(=O)N1[*:1])N1CCN(CC1)c1ccccc1
Cc1cccc(N2C(=O)C(Cl)=C(N3CCN(c4ccccc4)CC3)C2=O)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1C(=O)C(Cl)=C(C1=O)N1CCN(CC1)[*:1]
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)c1 O=C(Nc1ccccc1)[*:1] COc1cccc(c1)[C@H]1C(=C(C)Nc2ncnn21)[*:1]
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)c1 COc1cccc(c1)[*:1] CC1Nc2ncnn2[C@H](C=1C(=O)Nc1ccccc1)[*:1]
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1C(C(=O)N[*:1])=C(C)Nc2ncnn21
C[NH2+][C@@H]([C@@H]1CCCOC1)[C@H]1CCO[C@]2(CCSC2)C1 C1COC[C@@H](C1)[*:1] C[NH2+][C@@H]([C@H]1CCO[C@]2(CCSC2)C1)[*:1]
CC(C)Nc1ccc2oc(=O)n(C)c2c1 CC(C)[*:1] Cn1c(=O)oc2ccc(cc21)N[*:1]
CC(C)Nc1ccc2oc(=O)n(C)c2c1 CC(C)N[*:1] Cn1c(=O)oc2ccc(cc21)[*:1]
O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1cccs1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)OCC[*:1])c1cccs1
O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1cccs1 c1ccc(cc1)OC[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1cccs1
O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1cccs1 c1csc(c1)[*:1] O=C(Nc1ccc(cc1)OCCOc1ccccc1)[*:1]
O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1cccs1 O=C(N[*:1])c1cccs1 c1ccc(cc1)OCCOc1ccc(cc1)[*:1]
O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1cccs1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)OCCO[*:1])c1cccs1
O=C(Cc1c[nH]c2ccccc12)OCc1cc(-c2ccccc2F)on1 Fc1ccccc1[*:1] O=C(Cc1c[nH]c2ccccc12)OCc1cc(on1)[*:1]
C[C@@H](NC(=O)C1CC1)c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1 O=C(N[*:1])C1CC1 C[C@@H](c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1)[*:1]
C[C@@H](NC(=O)C1CC1)c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)C1CC1)c1nc2ccccc2n1CC(=O)N(C)[*:1]
C[C@@H](NC(=O)C1CC1)c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1 C1CC1[*:1] C[C@@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1
C[C@@H](NC(=O)C1CC1)c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)C1CC1)c1nc2ccccc2n1CC(=O)N(C)C[*:1]
Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cccc(-c4nnco4)c3)cccc2c1=O c1nnc(o1)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)Nc1cccc(c1)[*:1])-c1ccccc1
Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cccc(-c4nnco4)c3)cccc2c1=O c1ccc(cc1)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)Nc1cccc(c1)-c1nnco1)[*:1]
Cc1ccc(-c2nn(CCC(=O)[O-])c(=O)c3noc(C)c23)cc1C O=C([O-])CC[*:1] Cc1ccc(cc1C)-c1nn(c(=O)c2noc(C)c12)[*:1]
Cc1ccc(-c2nn(CCC(=O)[O-])c(=O)c3noc(C)c23)cc1C O=C([O-])C[*:1] Cc1ccc(cc1C)-c1nn(C[*:1])c(=O)c2noc(C)c12
Cc1ccc(-c2nn(CCC(=O)[O-])c(=O)c3noc(C)c23)cc1C Cc1ccc(cc1C)[*:1] Cc1onc2c(=O)n(CCC(=O)[O-])nc(c12)[*:1]
Cc1ccc(-c2nn(CCC(=O)[O-])c(=O)c3noc(C)c23)cc1C O=C([O-])[*:1] Cc1ccc(cc1C)-c1nn(CC[*:1])c(=O)c2noc(C)c12
CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccccn1 c1ccc(C[*:1])nc1 CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)[*:1]
CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccccn1 c1ccc(nc1)[*:1] CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)C[*:1]
CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccccn1 CCCC[*:1] CN(Cc1ccccn1)C(=O)N[C@@H]1CCC[C@H]1[*:1]
CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccccn1 CCC[*:1] CN(Cc1ccccn1)C(=O)N[C@@H]1CCC[C@H]1C[*:1]
CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2C)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)c1cc(nc2c1c(C)nn2C)C1CC1)[*:1]
CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2C)[C@H]1CCS(=O)(=O)C1 C1CC1[*:1] CCN(C(=O)c1cc(nc2c1c(C)nn2C)[*:1])[C@H]1CCS(=O)(=O)C1
C[C@@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc2[nH]c(=O)[nH]c2c1 c1ccc(nc1)[*:1] C[C@@H](N[C@@H](c1cccc(F)c1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
C[C@@H](N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc2[nH]c(=O)[nH]c2c1 Fc1cccc(c1)[*:1] C[C@@H](N[C@@H](c1ccccn1)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
COc1ccc2oc(=O)c3ccc(OC)c(OC(C)=O)c3c2c1 CC(=O)O[*:1] COc1ccc2oc(=O)c3ccc(OC)c(c3c2c1)[*:1]
CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 c1cc(ccn1)[*:1] CC[C@@H](N(C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[*:1]
C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 O=[N+]([O-])[*:1] C[C@@H](Nc1ncccc1[*:1])c1ccc(cc1)NC(=O)NC1CC1
C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(cc1)NC(=O)N[*:1]
C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(cc1)[*:1]
COc1ccc(Cl)c2sc(N3CC(C(=O)[O-])C3)nc12 O=C([O-])[*:1] COc1ccc(Cl)c2sc(nc12)N1CC(C1)[*:1]
Cc1ccc2c(CC(=O)NCc3ccc(CN4CCOCC4)cc3)coc2c1C C1CN(CCO1)C[*:1] Cc1ccc2c(coc2c1C)CC(=O)NCc1ccc(cc1)[*:1]
Cc1ccc2c(CC(=O)NCc3ccc(CN4CCOCC4)cc3)coc2c1C C1CN(CCO1)[*:1] Cc1ccc2c(coc2c1C)CC(=O)NCc1ccc(cc1)C[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N/N=C/c1cccc(c1)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N/N=C/c1cccc(c1)O[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(Oc2ccccc2)c1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])N/N=C/c1cccc(c1)Oc1ccccc1
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(Oc2ccccc2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C[*:1])N/N=C/c1cccc(c1)Oc1ccccc1
C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(Oc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(O[*:1])c(F)c1
C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(Oc2ccccc2)c(F)c1 c1ccc(cc1)O[*:1] C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(c(F)c1)[*:1]
c1csc(-c2noc(-c3c[nH]c4ccccc34)n2)c1 c1csc(c1)[*:1] c1ccc2c(c[nH]c2c1)-c1nc(no1)[*:1]
CCn1ncc(NC(=O)Cn2ncc3cc(-c4cccs4)ccc32)n1 CCn1ncc(n1)[*:1] O=C(Cn1ncc2cc(ccc21)-c1cccs1)N[*:1]
CCn1ncc(NC(=O)Cn2ncc3cc(-c4cccs4)ccc32)n1 c1csc(c1)[*:1] CCn1ncc(n1)NC(=O)Cn1ncc2cc(ccc21)[*:1]
CC(C)CN(C)C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 CC(C)[*:1] CN(C[*:1])C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32
CC(C)CN(C)C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 CC(C)C[*:1] CN(C(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)[*:1]
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCN2C(=O)c3ccccc3S2(=O)=O)C1=O Clc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CCN2C(=O)c3ccccc3S2(=O)=O)C1=O)[*:1]
O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(N2CCCC2)cc1 C1CCN(C1)[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(cc1)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1nnnn1C(C)C CCC[*:1] CC(C)n1nnnc1S[C@@H](C)C(=O)N[C@H](C)[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1nnnn1C(C)C CCC[C@@H](C)[*:1] CC(C)n1nnnc1S[C@@H](C)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@H](C)Sc1nnnn1C(C)C CC(C)[*:1] CCC[C@@H](C)NC(=O)[C@H](C)Sc1nnnn1[*:1]
CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N[C@H]1CCCc3ccccc31)n2Cc1ccccc1 CN(C)S(=O)(=O)[*:1] O=C(N[C@H]1CCCc2ccccc21)c1cc2cc(ccc2n1Cc1ccccc1)[*:1]
CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N[C@H]1CCCc3ccccc31)n2Cc1ccccc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N[C@H]1CCCc3ccccc31)n2C[*:1]
CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N[C@H]1CCCc3ccccc31)n2Cc1ccccc1 c1ccc(cc1)C[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N[C@H]1CCCc3ccccc31)n2[*:1]
Cn1ccnc1[C@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1 c1ccc2oc(nc2c1)[*:1] Cn1ccnc1[C@H](NC(=O)C1CCN(CC1)[*:1])c1ccccc1
Cn1ccnc1[C@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1[C@H](NC(=O)C1CCN(CC1)c1nc2ccccc2o1)[*:1]
Cn1ccnc1[C@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1 Cn1ccnc1[*:1] O=C(N[C@H](c1ccccc1)[*:1])C1CCN(CC1)c1nc2ccccc2o1
O=NNc1nc2ccccc2n1Cc1ccccc1 O=NN[*:1] c1ccc(cc1)Cn1c(nc2ccccc21)[*:1]
O=NNc1nc2ccccc2n1Cc1ccccc1 c1ccc(cc1)[*:1] O=NNc1nc2ccccc2n1C[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C1 CCCC(=O)N[*:1] O=C(c1csc(n1)-c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C1)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C1 CCC[*:1] O=C(c1csc(n1)-c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C1)NC(=O)[*:1]
CCCC(=O)N[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C1 Clc1ccc(cc1Cl)[*:1] CCCC(=O)N[C@@H]1CCCN(C1)C(=O)c1csc(n1)[*:1]
O=C(COc1ccccc1)NCC(=O)Nc1nc(-c2ccc(I)cc2)cs1 c1ccc(cc1)OC[*:1] O=C(CNC(=O)[*:1])Nc1nc(cs1)-c1ccc(I)cc1
O=C(COc1ccccc1)NCC(=O)Nc1nc(-c2ccc(I)cc2)cs1 c1ccc(cc1)[*:1] O=C(CO[*:1])NCC(=O)Nc1nc(cs1)-c1ccc(I)cc1
O=C(COc1ccccc1)NCC(=O)Nc1nc(-c2ccc(I)cc2)cs1 c1ccc(cc1)O[*:1] O=C(C[*:1])NCC(=O)Nc1nc(cs1)-c1ccc(I)cc1
O=C(COc1ccccc1)NCC(=O)Nc1nc(-c2ccc(I)cc2)cs1 Ic1ccc(cc1)[*:1] O=C(COc1ccccc1)NCC(=O)Nc1nc(cs1)[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2noc(-c3ccccc3)c2c1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)S(=O)(=O)N1CCCC1)c1ccc2noc(c2c1)[*:1]
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2noc(-c3ccccc3)c2c1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2noc(-c3ccccc3)c2c1
Cc1sc(NC(=O)C2CC2)c(C(=O)NCC(=O)NCC(C)C)c1C C1CC1[*:1] Cc1sc(NC(=O)[*:1])c(C(=O)NCC(=O)NCC(C)C)c1C
Cc1sc(NC(=O)C2CC2)c(C(=O)NCC(=O)NCC(C)C)c1C CC(C)C[*:1] Cc1sc(NC(=O)C2CC2)c(C(=O)NCC(=O)N[*:1])c1C
Cc1sc(NC(=O)C2CC2)c(C(=O)NCC(=O)NCC(C)C)c1C CC(C)CNC(=O)C[*:1] Cc1sc(NC(=O)C2CC2)c(C(=O)N[*:1])c1C
Cc1sc(NC(=O)C2CC2)c(C(=O)NCC(=O)NCC(C)C)c1C O=C(N[*:1])C1CC1 Cc1sc(c(C(=O)NCC(=O)NCC(C)C)c1C)[*:1]
Cc1sc(NC(=O)C2CC2)c(C(=O)NCC(=O)NCC(C)C)c1C CC(C)[*:1] Cc1sc(NC(=O)C2CC2)c(C(=O)NCC(=O)NC[*:1])c1C
Cc1sc(NC(=O)C2CC2)c(C(=O)NCC(=O)NCC(C)C)c1C CC(C)CNC(=O)[*:1] Cc1sc(NC(=O)C2CC2)c(C(=O)NC[*:1])c1C
Cc1nc(N2CC[C@@H](COCc3ccccc3)C2)c2cc[nH]c2n1 c1ccc(cc1)CO[*:1] Cc1nc(c2cc[nH]c2n1)N1CC[C@H](C1)C[*:1]
Cc1nc(N2CC[C@@H](COCc3ccccc3)C2)c2cc[nH]c2n1 c1ccc(cc1)[*:1] Cc1nc(c2cc[nH]c2n1)N1CC[C@@H](COC[*:1])C1
Cc1nc(N2CC[C@@H](COCc3ccccc3)C2)c2cc[nH]c2n1 c1ccc(cc1)C[*:1] Cc1nc(c2cc[nH]c2n1)N1CC[C@@H](CO[*:1])C1
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Cl)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Cl)[*:1]
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1Cl)c1ccco1 Fc1ccc(c(Cl)c1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1ccco1
COc1ccc(CN2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CN1/C(=N\C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
COc1ccc(CN2/C(=N\C(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC COc1ccc(cc1OC)[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1C[*:1])c1ccccc1
CC1=C(C(N)=O)[C@H](c2cc(Br)ccc2OCc2ccccc2)N2NC=NC2=N1 c1ccc(cc1)CO[*:1] CC1N=C2N=CNN2[C@H](C=1C(N)=O)c1cc(Br)ccc1[*:1]
CC1=C(C(N)=O)[C@H](c2cc(Br)ccc2OCc2ccccc2)N2NC=NC2=N1 NC(=O)[*:1] CC1N=C2N=CNN2[C@H](C=1[*:1])c1cc(Br)ccc1OCc1ccccc1
CC1=C(C(N)=O)[C@H](c2cc(Br)ccc2OCc2ccccc2)N2NC=NC2=N1 c1ccc(cc1)[*:1] CC1N=C2N=CNN2[C@H](C=1C(N)=O)c1cc(Br)ccc1OC[*:1]
CC1=C(C(N)=O)[C@H](c2cc(Br)ccc2OCc2ccccc2)N2NC=NC2=N1 c1ccc(cc1)C[*:1] CC1N=C2N=CNN2[C@H](C=1C(N)=O)c1cc(Br)ccc1O[*:1]
CCOC[C@H](O)CN1CCN(c2cccc(C)c2C)CC1 CCO[*:1] Cc1cccc(c1C)N1CCN(CC1)C[C@@H](O)C[*:1]
CCOC[C@H](O)CN1CCN(c2cccc(C)c2C)CC1 CCOC[C@H](O)C[*:1] Cc1cccc(c1C)N1CCN(CC1)[*:1]
CCOC[C@H](O)CN1CCN(c2cccc(C)c2C)CC1 CCOC[*:1] Cc1cccc(c1C)N1CCN(CC1)C[C@@H](O)[*:1]
CCOC[C@H](O)CN1CCN(c2cccc(C)c2C)CC1 CCOC[C@H](O)[*:1] Cc1cccc(c1C)N1CCN(CC1)C[*:1]
C[C@@H](C(=O)N1CCCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 C[C@@H](C(=O)N1CCCC1)[*:1] O=C1N[C@@]2(CCC(=O)N(CC2)[*:1])Nc2ccc(Cl)cc21
C[C@@H](C(=O)N1CCCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 O=C(N1CCCC1)[*:1] C[C@@H](N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2)[*:1]
CCN(C(=O)[C@@H](C)Sc1ccccn1)[C@H](C)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(C(=O)[C@@H](C)Sc1ccccn1)[C@H](C)[*:1]
CCN(C(=O)[C@@H](C)Sc1ccccn1)[C@H](C)c1cccc(OC)c1 c1ccc(nc1)S[*:1] CCN(C(=O)[C@@H](C)[*:1])[C@H](C)c1cccc(c1)OC
CCN(C(=O)[C@@H](C)Sc1ccccn1)[C@H](C)c1cccc(OC)c1 c1ccc(nc1)[*:1] CCN(C(=O)[C@@H](C)S[*:1])[C@H](C)c1cccc(c1)OC
Cc1cccnc1C1=[NH+][C@H]([C@H]2N=NC3=C2CCCC3)ON1 Cc1cccnc1[*:1] C1CCC2=C(C1)N=N[C@@H]2[C@H]1[NH+]=C(NO1)[*:1]
C=C(Cl)COc1ccc([N+](=O)[O-])cc1OC C=C(Cl)C[*:1] COc1cc(ccc1O[*:1])[N+](=O)[O-]
C=C(Cl)COc1ccc([N+](=O)[O-])cc1OC C=C(Cl)CO[*:1] COc1cc(ccc1[*:1])[N+](=O)[O-]
C=C(Cl)COc1ccc([N+](=O)[O-])cc1OC C=C(Cl)[*:1] COc1cc(ccc1OC[*:1])[N+](=O)[O-]
C=C(Cl)COc1ccc([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] C=C(Cl)COc1ccc(cc1OC)[*:1]
C[C@H]([NH2+]CCCO)c1ccccc1N(C)C CN(C)[*:1] C[C@H]([NH2+]CCCO)c1ccccc1[*:1]
C[C@H]([NH2+]CCCO)c1ccccc1N(C)C OCC[*:1] C[C@H]([NH2+]C[*:1])c1ccccc1N(C)C
C[C@H]([NH2+]CCCO)c1ccccc1N(C)C OCCC[*:1] C[C@H]([NH2+][*:1])c1ccccc1N(C)C
CC(C)(C)[C@H](NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@H](NC(=O)N[C@@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CC(C)(C)[C@H](NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 CC(C)(C)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)NC(=O)N[C@H](c1ccccc1)[*:1]
CC(C)(C)[C@H](NC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 CS(=O)(=O)[*:1] CC(C)(C)[C@H](NC(=O)N[C@@H]1CCC[C@H](C1)[*:1])c1ccccc1
COc1nc(C)cc(C)c1CNC(=O)CCc1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] COc1nc(C)cc(C)c1CNC(=O)CC[*:1]
CCC(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 CCC(=O)N[*:1] CC(C)(C)c1ccc(cc1)-c1noc(C[*:1])n1
CCC(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 CC(C)(C)[*:1] CCC(=O)NCc1nc(no1)-c1ccc(cc1)[*:1]
CCC(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 CCC(=O)NC[*:1] CC(C)(C)c1ccc(cc1)-c1noc(n1)[*:1]
CC(C)C[C@H](NC(=O)c1cc(-c2cccn2C)n[nH]1)c1ncnn1C CC(C)C[*:1] Cn1cccc1-c1cc([nH]n1)C(=O)N[C@H](c1ncnn1C)[*:1]
CC(C)C[C@H](NC(=O)c1cc(-c2cccn2C)n[nH]1)c1ncnn1C Cn1ncnc1[*:1] CC(C)C[C@H](NC(=O)c1cc(n[nH]1)-c1cccn1C)[*:1]
CC(C)C[C@H](NC(=O)c1cc(-c2cccn2C)n[nH]1)c1ncnn1C Cn1cccc1[*:1] CC(C)C[C@H](NC(=O)c1cc(n[nH]1)[*:1])c1ncnn1C
CC(C)C[C@H](NC(=O)c1cc(-c2cccn2C)n[nH]1)c1ncnn1C CC(C)[*:1] Cn1cccc1-c1cc([nH]n1)C(=O)N[C@@H](C[*:1])c1ncnn1C
C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)c1nc(no1)[*:1]
CCOCCN(C)C(=O)c1cc2cc(Br)ccc2o1 CCOC[*:1] CN(C[*:1])C(=O)c1cc2cc(Br)ccc2o1
CCOCCN(C)C(=O)c1cc2cc(Br)ccc2o1 CCO[*:1] CN(CC[*:1])C(=O)c1cc2cc(Br)ccc2o1
CCOCCN(C)C(=O)c1cc2cc(Br)ccc2o1 CCOCC[*:1] CN(C(=O)c1cc2cc(Br)ccc2o1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](c1ccc2c(c1)CCO2)C(C)C CC(C)[*:1] CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](c1ccc2OCCc2c1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](c1ccc2c(c1)CCO2)C(C)C CC[C@H](C)NC(=O)[*:1] CC(C)[C@@H](N[C@H](C)[*:1])c1ccc2OCCc2c1
CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](c1ccc2c(c1)CCO2)C(C)C CC[C@H](C)[*:1] CC(C)[C@@H](N[C@H](C)C(=O)N[*:1])c1ccc2OCCc2c1
CCOc1ccc2c(c1)CN(CC(=O)N1CCNC1=O)CC2 CCO[*:1] O=C(CN1CCc2ccc(cc2C1)[*:1])N1CCNC1=O
COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O COc1ccccc1[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)NC[*:1]
CC(=O)NCCc1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1 CC(=O)NC[*:1] C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] CC(=O)NCCc1ccc(cc1)C(=O)N(C)[C@@H](C)[*:1]
CC(=O)NCCc1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1 CC(=O)NCC[*:1] C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1 CC(=O)N[*:1] C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(cc1)CC[*:1]
CC(C)N1CC[C@H](Nc2cccc(OCC(=O)N(C)C)c2)C1=O CN(C)C(=O)C[*:1] CC(C)N1CC[C@H](Nc2cccc(c2)O[*:1])C1=O
CC(C)N1CC[C@H](Nc2cccc(OCC(=O)N(C)C)c2)C1=O CC(C)[*:1] CN(C)C(=O)COc1cccc(c1)N[C@H]1CCN(C1=O)[*:1]
CC(C)N1CC[C@H](Nc2cccc(OCC(=O)N(C)C)c2)C1=O CN(C)C(=O)[*:1] CC(C)N1CC[C@H](Nc2cccc(c2)OC[*:1])C1=O
CC(C)N1CC[C@H](Nc2cccc(OCC(=O)N(C)C)c2)C1=O CN(C)C(=O)CO[*:1] CC(C)N1CC[C@H](Nc2cccc(c2)[*:1])C1=O
CCC(C)(C)NC(=O)c1cnc2onc(C)c2c1 CCC(C)(C)[*:1] Cc1noc2ncc(cc12)C(=O)N[*:1]
CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1c(-c3ccccc3)noc1C)CC2 c1ccc(cc1)[*:1] CCOC(=O)c1nn(Cc2ccccn2)c2CCN(Cc12)C(=O)c1c(noc1C)[*:1]
CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1c(-c3ccccc3)noc1C)CC2 CCOC(=O)[*:1] Cc1onc(-c2ccccc2)c1C(=O)N1CCc2c(C1)c(nn2Cc1ccccn1)[*:1]
CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1c(-c3ccccc3)noc1C)CC2 c1ccc(nc1)[*:1] CCOC(=O)c1nn(C[*:1])c2CCN(Cc12)C(=O)c1c(noc1C)-c1ccccc1
CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1c(-c3ccccc3)noc1C)CC2 c1ccc(C[*:1])nc1 CCOC(=O)c1nn(c2CCN(Cc12)C(=O)c1c(noc1C)-c1ccccc1)[*:1]
CC(=O)c1c(OC(=O)COc2ccc(C(C)(C)C)cc2)ccc2c(C)cc(=O)oc12 CC(C)(C)c1ccc(cc1)[*:1] CC(=O)c1c(ccc2c(C)cc(=O)oc12)OC(=O)CO[*:1]
CC(=O)c1c(OC(=O)COc2ccc(C(C)(C)C)cc2)ccc2c(C)cc(=O)oc12 CC(=O)[*:1] Cc1cc(=O)oc2c(c(ccc12)OC(=O)COc1ccc(cc1)C(C)(C)C)[*:1]
CC(=O)c1c(OC(=O)COc2ccc(C(C)(C)C)cc2)ccc2c(C)cc(=O)oc12 CC(C)(C)[*:1] CC(=O)c1c(ccc2c(C)cc(=O)oc12)OC(=O)COc1ccc(cc1)[*:1]
Cc1ccc(C)c(Oc2cc(-n3ccnc3)ncn2)c1 c1cn(cn1)[*:1] Cc1ccc(C)c(c1)Oc1cc(ncn1)[*:1]
Cc1cccc(C)c1NC(=O)CSc1nnc2c3c4c(sc3nc(C)n12)C[C@H](C)CC4 Cc1cccc(C)c1[*:1] Cc1nc2sc3C[C@H](C)CCc3c2c2nnc(SCC(=O)N[*:1])n12
CCOc1ccc([C@@H](C)NS(=O)(=O)c2cn(C)cn2)cc1 CCO[*:1] C[C@@H](NS(=O)(=O)c1cn(C)cn1)c1ccc(cc1)[*:1]
CCOc1ccc([C@@H](C)NS(=O)(=O)c2cn(C)cn2)cc1 Cn1cnc(c1)[*:1] CCOc1ccc(cc1)[C@@H](C)NS(=O)(=O)[*:1]
COc1ccccc1CNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1 COc1ccccc1[*:1] C[C@H](Sc1nnc(o1)-c1c[nH]c2ccccc12)C(=O)NC[*:1]
COc1ccccc1CNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccccc1CNC(=O)[C@H](C)Sc1nnc(o1)[*:1]
COc1ccccc1CNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1 COc1ccccc1C[*:1] C[C@H](Sc1nnc(o1)-c1c[nH]c2ccccc12)C(=O)N[*:1]
CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1Oc1ccccc1 c1ccc(cc1)[*:1] CC[NH2+][C@@H]1c2cc(ccc2C[C@H]1O[*:1])OC
CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1Oc1ccccc1 c1ccc(cc1)O[*:1] CC[NH2+][C@@H]1c2cc(ccc2C[C@@H]1[*:1])OC
CC[C@H](CC(=O)N1CSC[C@H]1C(=O)N(C)C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](CC(=O)N1CSC[C@H]1C(=O)N(C)C)[*:1]
CC[C@H](CC(=O)N1CSC[C@H]1C(=O)N(C)C)c1ccc(C)cc1 CN(C)C(=O)[*:1] CC[C@H](CC(=O)N1CSC[C@@H]1[*:1])c1ccc(C)cc1
CSc1ccc(NC(=O)NC[C@H]2CCO[C@H]2C(C)C)cc1Cl CC(C)[*:1] CSc1ccc(cc1Cl)NC(=O)NC[C@H]1CCO[C@@H]1[*:1]
CCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3cccs3)cc21 c1csc(c1)[*:1] CCS(=O)(=O)N1CCCc2ccc(cc21)NC(=O)C[*:1]
CCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3cccs3)cc21 c1csc(c1)C[*:1] CCS(=O)(=O)N1CCCc2ccc(cc21)NC(=O)[*:1]
N#C[C@@H]1CCCC[C@H]1OC(=O)CCCNC(=O)C1CC1 O=C(N[*:1])C1CC1 N#C[C@@H]1CCCC[C@H]1OC(=O)CCC[*:1]
N#C[C@@H]1CCCC[C@H]1OC(=O)CCCNC(=O)C1CC1 C1CC1[*:1] N#C[C@@H]1CCCC[C@H]1OC(=O)CCCNC(=O)[*:1]
C/C(=C/C(=O)N1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1 Cc1nc(C[*:1])oc1C C/C(=C/C(=O)N1CCN(CC1)[*:1])c1ccccc1
C/C(=C/C(=O)N1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1 Cc1nc(oc1C)[*:1] C/C(=C/C(=O)N1CCN(CC1)C[*:1])c1ccccc1
C/C(=C/C(=O)N1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(=CC(=O)N1CCN(CC1)Cc1nc(C)c(C)o1)[*:1]
Cc1cc(F)cc(C(=O)NCCNC(=O)c2c(F)cccc2F)c1 Fc1cccc(F)c1[*:1] Cc1cc(F)cc(c1)C(=O)NCCNC(=O)[*:1]
Cc1cc(F)cc(C(=O)NCCNC(=O)c2c(F)cccc2F)c1 Cc1cc(F)cc(c1)[*:1] O=C(NCCNC(=O)[*:1])c1c(F)cccc1F
O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)N1CC[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)N1CC[C@@H](C1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)Cn2c(C3CCCCC3)nc3ccccc32)C1 NC(=O)[*:1] O=C(Cn1c(nc2ccccc21)C1CCCCC1)N1CCC[C@@H](C1)[*:1]
NC(=O)[C@H]1CCCN(C(=O)Cn2c(C3CCCCC3)nc3ccccc32)C1 C1CCC(CC1)[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)Cn1c(nc2ccccc21)[*:1]
CC1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 NC(=O)[*:1] CC1CCN(CC1)C(=O)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 Clc1ccc(cc1Cl)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccccc1
O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCOC(=O)N/N=C(\C)c1cccc(NC(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] CCOC(=O)N/N=C(\C)c1cccc(c1)NC(=O)[*:1]
CCC(=O)c1ccc(-c2cccs2)s1 CCC(=O)[*:1] c1csc(c1)-c1ccc(s1)[*:1]
CCc1noc(C)c1/C([O-])=N/S(=O)(=O)c1ccc(C(F)(F)F)cc1 CCc1noc(C)c1[*:1] O=S(=O)(/N=C(\[O-])[*:1])c1ccc(cc1)C(F)(F)F
CCc1noc(C)c1/C([O-])=N/S(=O)(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCc1noc(C)c1/C([O-])=N/S(=O)(=O)c1ccc(cc1)[*:1]
C[C@H]1CNC(=O)CCN1Cc1cnc(NCc2ccccc2)nc1 c1ccc(cc1)[*:1] C[C@H]1CNC(=O)CCN1Cc1cnc(nc1)NC[*:1]
C[C@H]1CNC(=O)CCN1Cc1cnc(NCc2ccccc2)nc1 c1ccc(cc1)C[*:1] C[C@H]1CNC(=O)CCN1Cc1cnc(nc1)N[*:1]
C[C@H]1CNC(=O)CCN1Cc1cnc(NCc2ccccc2)nc1 c1ccc(cc1)CN[*:1] C[C@H]1CNC(=O)CCN1Cc1cnc(nc1)[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(Cn3cccn3)c2)o1 c1cnn(c1)C[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(Cn3cccn3)c2)o1 c1cnn(c1)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)C[*:1]
Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(Cn3cccn3)c2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(c1)Cn1cccn1)[*:1]
CC(C)CNC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 CC(C)[*:1] N#Cc1ccc(cc1)Cn1cnc(n1)NC(=O)NC[*:1]
CC(C)CNC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 CC(C)C[*:1] N#Cc1ccc(cc1)Cn1cnc(n1)NC(=O)N[*:1]
Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 Cc1cccc(n1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])N[*:1]
Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cc1cccc(n1)NC(=O)/C=C/c1ccc(cc1)[*:1]
Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccccc1CO OCc1ccccc1[*:1] Cc1nc2ncnn2c(C)c1CCC(=O)NC[*:1]
CC[C@H](OC1CCCC1)C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 C1CCC(C1)O[*:1] CC[C@H](C(=O)N1CCN(CC1)C1=[NH+]CC(C)(C)S1)[*:1]
CC[C@H](OC1CCCC1)C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 C1CCC(C1)[*:1] CC[C@H](O[*:1])C(=O)N1CCN(CC1)C1=[NH+]CC(C)(C)S1
CCOC(=O)[C@@H](CC)C(C)=O CC(=O)[*:1] CCOC(=O)[C@@H](CC)[*:1]
COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)c(O)c1 Cc1ccc(cc1)[*:1] COc1ccc(C(=O)Nc2nc(n[nH]2)[*:1])c(O)c1
COc1ccc(CC(=O)NC(=S)NNC(=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)CC(=O)NC(=S)NNC(=O)[*:1]
COc1ccc(CC(=O)NC(=S)NNC(=O)c2ccccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1C(=O)NNC(=S)NC(=O)C[*:1]
COc1cc(C)c([C@@H](C)NC[C@H](O)c2ccc(Cl)c(F)c2)cc1OC Fc1cc(ccc1Cl)[*:1] COc1cc(C)c(cc1OC)[C@@H](C)NC[C@H](O)[*:1]
O=C(NCCCN1CCCC1=O)c1cccc(-n2cccn2)c1 O=C1CCCN1[*:1] O=C(NCCC[*:1])c1cccc(c1)-n1cccn1
O=C(NCCCN1CCCC1=O)c1cccc(-n2cccn2)c1 O=C1CCCN1C[*:1] O=C(NCC[*:1])c1cccc(c1)-n1cccn1
O=C(NCCCN1CCCC1=O)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] O=C(NCCCN1CCCC1=O)c1cccc(c1)[*:1]
C[C@@H]1CCCc2sc3nc(NCc4ccccc4)n4ncnc4c3c21 c1ccc(cc1)CN[*:1] C[C@@H]1CCCc2sc3nc(n4ncnc4c3c21)[*:1]
C[C@@H]1CCCc2sc3nc(NCc4ccccc4)n4ncnc4c3c21 c1ccc(cc1)[*:1] C[C@@H]1CCCc2sc3nc(NC[*:1])n4ncnc4c3c21
C[C@@H]1CCCc2sc3nc(NCc4ccccc4)n4ncnc4c3c21 c1ccc(cc1)C[*:1] C[C@@H]1CCCc2sc3nc(N[*:1])n4ncnc4c3c21
C[C@@H](C(=O)Oc1cccc(NC(=O)c2cnn(C)c2)c1)c1ccsc1 Cn1cc(cn1)[*:1] C[C@@H](C(=O)Oc1cccc(c1)NC(=O)[*:1])c1ccsc1
C[C@@H](C(=O)Oc1cccc(NC(=O)c2cnn(C)c2)c1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)Oc1cccc(c1)NC(=O)c1cnn(C)c1)[*:1]
CCc1c(C(=O)Nc2ncc(C)s2)nnn1-c1cccc(Cl)c1 Cc1cnc(s1)[*:1] CCc1c(nnn1-c1cccc(Cl)c1)C(=O)N[*:1]
CCc1c(C(=O)Nc2ncc(C)s2)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1c(nnn1[*:1])C(=O)Nc1ncc(C)s1
C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](Nc1ccc(cn1)[N+](=O)[O-])[C@@H](O)[*:1]
C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H](O)c1ccc(F)cc1 O=[N+]([O-])[*:1] C[C@@H](Nc1ccc(cn1)[*:1])[C@@H](O)c1ccc(F)cc1
CCC(=O)c1sc(Nc2cccc(SC)c2)nc1N CCC(=O)[*:1] CSc1cccc(c1)Nc1nc(N)c(s1)[*:1]
CCN1CCO[C@H](C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)C1 CCN1CCO[C@H](C1)[*:1] O=C(Nc1ccc(cc1)OC[C@@H]1CCCO1)[*:1]
CCN1CCO[C@H](C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)C1 C1CO[C@@H](C1)C[*:1] CCN1CCO[C@@H](C1)C(=O)Nc1ccc(cc1)O[*:1]
CCN1CCO[C@H](C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)C1 C1CO[C@@H](C1)[*:1] CCN1CCO[C@@H](C1)C(=O)Nc1ccc(cc1)OC[*:1]
CCN1CCO[C@H](C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)C1 C1CO[C@@H](C1)CO[*:1] CCN1CCO[C@@H](C1)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCCCn1cccc1)c1c(F)cccc1Cl c1ccn(c1)[*:1] O=C(NCCC[*:1])c1c(F)cccc1Cl
O=C(NCCCn1cccc1)c1c(F)cccc1Cl c1ccn(c1)C[*:1] O=C(NCC[*:1])c1c(F)cccc1Cl
O=C(CCSc1ccccc1F)N1CCC[C@@H](c2ccn[nH]2)C1 Fc1ccccc1[*:1] O=C(CCS[*:1])N1CCC[C@H](C1)c1ccn[nH]1
O=C(CCSc1ccccc1F)N1CCC[C@@H](c2ccn[nH]2)C1 c1cc([nH]n1)[*:1] O=C(CCSc1ccccc1F)N1CCC[C@@H](C1)[*:1]
O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[*:1]
O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCC[*:1]
O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc3cccc(F)c3o2)C1 CCNS(=O)(=O)[*:1] O=C(c1cc2cccc(F)c2o1)N1CC[C@@H](C1)[*:1]
CC(C)S(=O)(=O)N1CCC(Oc2nc3c(F)cccc3s2)CC1 CC(C)[*:1] O=S(=O)(N1CCC(CC1)Oc1nc2c(F)cccc2s1)[*:1]
CC(C)=CCC[C@H](C)[NH2+][C@H]1CCO[C@@H]1C CC(C)=C[*:1] C[C@@H](CC[*:1])[NH2+][C@H]1CCO[C@@H]1C
CC(C)=CCC[C@H](C)[NH2+][C@H]1CCO[C@@H]1C CC(C)=CC[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CCO[C@@H]1C
Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCC2)c1 Cn1cccc1[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCC2)c1 Cc1cc(C)cc(c1)[*:1] Cn1cccc1[C@H](CNC(=O)C(=O)N[*:1])[NH+]1CCCC1
COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc2n[nH]c(=O)n2c1 COC(=O)[*:1] C[C@H](CN(Cc1ccccc1)C(=O)c1ccc2n[nH]c(=O)n2c1)[*:1]
COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc2n[nH]c(=O)n2c1 COC(=O)[C@H](C)C[*:1] O=C(c1ccc2n[nH]c(=O)n2c1)N(Cc1ccccc1)[*:1]
COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc2n[nH]c(=O)n2c1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)CN(C[*:1])C(=O)c1ccc2n[nH]c(=O)n2c1
COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc2n[nH]c(=O)n2c1 c1ccc(cc1)C[*:1] COC(=O)[C@H](C)CN(C(=O)c1ccc2n[nH]c(=O)n2c1)[*:1]
Cc1ccc(OC[C@H](O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 Cc1ccc(cc1)[*:1] O[C@@H](CO[*:1])CN1CCN(CC1)c1ccc(cn1)C(F)(F)F
Cc1ccc(OC[C@H](O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 Cc1ccc(cc1)O[*:1] O[C@H](CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C[*:1]
Cc1ccc(OC[C@H](O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 Cc1ccc(cc1)OC[*:1] O[C@H](CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)[*:1]
Cc1ccc(OC[C@H](O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)OC[C@H](O)CN1CCN(CC1)c1ccc(cn1)[*:1]
O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)N[*:1]
O=C(CCc1ccc(Cl)c(Cl)c1)NCc1nc(-c2cccs2)n[nH]1 Clc1ccc(cc1Cl)[*:1] O=C(CC[*:1])NCc1nc(n[nH]1)-c1cccs1
O=C(CCc1ccc(Cl)c(Cl)c1)NCc1nc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] O=C(CCc1ccc(Cl)c(Cl)c1)NCc1nc(n[nH]1)[*:1]
COC(=O)c1cc(CN2CCC[C@H](c3nc(C)no3)C2)c[nH]1 COC(=O)[*:1] Cc1noc(n1)[C@H]1CCCN(Cc2c[nH]c(c2)[*:1])C1
COC(=O)c1cc(CN2CCC[C@H](c3nc(C)no3)C2)c[nH]1 Cc1noc(n1)[*:1] COC(=O)c1cc(c[nH]1)CN1CCC[C@H](C1)[*:1]
COC(=O)[C@@H](NC(=O)[C@@H](C)c1ccsc1)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@H](NC(=O)[C@@H](C)c1ccsc1)[*:1]
COC(=O)[C@@H](NC(=O)[C@@H](C)c1ccsc1)c1ccc(C)cc1 C[C@@H](c1ccsc1)[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(C)cc1
COC(=O)[C@@H](NC(=O)[C@@H](C)c1ccsc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)[C@@H](NC(=O)[C@@H](C)c1ccsc1)[*:1]
COC(=O)[C@@H](NC(=O)[C@@H](C)c1ccsc1)c1ccc(C)cc1 c1cc(cs1)[*:1] COC(=O)[C@@H](NC(=O)[C@@H](C)[*:1])c1ccc(C)cc1
Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] Cn1nc(cc1C(=O)Nc1nc(cs1)[*:1])-c1ccccc1Cl
Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1nc(-c2ccncc2)cs1 Clc1ccccc1[*:1] Cn1nc(cc1C(=O)Nc1nc(cs1)-c1ccncc1)[*:1]
C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC2(C)C)c2ccccc21 CC1(C)CCC[C@@H]1[*:1] C[C@@H]1CN(C(=O)C(=O)N[*:1])c2ccccc21
CC#CCOC(=O)c1cc(-c2cccnc2)nc2ccccc12 CC#CCOC(=O)[*:1] c1cncc(c1)-c1cc(c2ccccc2n1)[*:1]
CC#CCOC(=O)c1cc(-c2cccnc2)nc2ccccc12 CC#C[*:1] O=C(OC[*:1])c1cc(nc2ccccc12)-c1cccnc1
CC#CCOC(=O)c1cc(-c2cccnc2)nc2ccccc12 c1cncc(c1)[*:1] CC#CCOC(=O)c1cc(nc2ccccc12)[*:1]
CC#CCOC(=O)c1cc(-c2cccnc2)nc2ccccc12 CC#CC[*:1] O=C(O[*:1])c1cc(nc2ccccc12)-c1cccnc1
CC(=O)c1cccc(NC(=O)N2CCO[C@H](CCc3ccccc3)C2)c1 c1ccc(cc1)CC[*:1] CC(=O)c1cccc(c1)NC(=O)N1CCO[C@H](C1)[*:1]
CC(=O)c1cccc(NC(=O)N2CCO[C@H](CCc3ccccc3)C2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCO[C@H](CCc2ccccc2)C1
CC(=O)c1cccc(NC(=O)N2CCO[C@H](CCc3ccccc3)C2)c1 c1ccc(cc1)C[*:1] CC(=O)c1cccc(c1)NC(=O)N1CCO[C@@H](C1)C[*:1]
CC(=O)c1cccc(NC(=O)N2CCO[C@H](CCc3ccccc3)C2)c1 c1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)N1CCO[C@H](CC[*:1])C1
O=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccco1 FC(F)(F)O[*:1] O=C(NCc1ccc(cc1)[*:1])NCc1ccco1
O=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccco1 c1coc(c1)[*:1] O=C(NCc1ccc(cc1)OC(F)(F)F)NC[*:1]
O=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccco1 c1coc(c1)C[*:1] O=C(NCc1ccc(cc1)OC(F)(F)F)N[*:1]
O=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccco1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)O[*:1])NCc1ccco1
CC[C@H]1CCCN(C(=O)NC[C@@H](C)c2ccsc2)C1 c1cc(cs1)[*:1] CC[C@H]1CCCN(C1)C(=O)NC[C@@H](C)[*:1]
CNC(=O)c1cccc(C[NH+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 CNC(=O)[*:1] CC(C)[NH+](Cc1ccc(cc1)[N+](=O)[O-])Cc1cccc(c1)[*:1]
CNC(=O)c1cccc(C[NH+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 CC(C)[*:1] CNC(=O)c1cccc(c1)C[NH+](Cc1ccc(cc1)[N+](=O)[O-])[*:1]
CNC(=O)c1cccc(C[NH+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 O=[N+]([O-])[*:1] CNC(=O)c1cccc(c1)C[NH+](Cc1ccc(cc1)[*:1])C(C)C
COCCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] COCCN(Cc1ccccc1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
COCCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 COCC[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N(Cc1ccccc1)[*:1]
COCCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 c1ccc(cc1)C[*:1] COCCN(C(=O)Nc1ccc(c(Cl)c1)[N+](=O)[O-])[*:1]
COCCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 c1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)Nc1ccc(c(Cl)c1)[N+](=O)[O-]
COCCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 COC[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N(Cc1ccccc1)C[*:1]
COc1cc(N[C@@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)cc(OC)c1 C(=C[*:1])c1ccccc1 COc1cc(cc(c1)OC)N[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1cc(N[C@@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)cc(OC)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)OC)N[C@@H]1CCCN(C1)S(=O)(=O)C=C[*:1]
COc1cc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)ccc1C c1cc(ccn1)[*:1] COc1cc(ccc1C)C(=O)Nc1cccc(c1)C(=O)N[*:1]
COc1cc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)ccc1C O=C(Nc1ccncc1)[*:1] COc1cc(ccc1C)C(=O)Nc1cccc(c1)[*:1]
COc1cc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)ccc1C COc1cc(ccc1C)[*:1] O=C(Nc1ccncc1)c1cccc(c1)NC(=O)[*:1]
O=C(/C=C/c1cccc2ccccc12)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(/C=C/c1cccc2ccccc12)N1CCC[C@H]1C[*:1]
O=C(/C=C/c1cccc2ccccc12)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(/C=C/c1cccc2ccccc12)N1CCC[C@@H]1[*:1]
C[C@H]1CCCN(C(=O)C2=NN=C(c3ccco3)C2)C1 c1coc(c1)[*:1] C[C@H]1CCCN(C1)C(=O)C1CC(=NN=1)[*:1]
Cn1c(C(=O)NCc2ccccc2Cl)cc2cnc3[nH]ccc3c21 Clc1ccccc1[*:1] Cn1c(cc2cnc3[nH]ccc3c21)C(=O)NC[*:1]
Cn1c(C(=O)NCc2ccccc2Cl)cc2cnc3[nH]ccc3c21 Clc1ccccc1C[*:1] Cn1c(cc2cnc3[nH]ccc3c21)C(=O)N[*:1]
COc1cccc(N2C[C@@H](C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)CC2=O)c1 O=C(NCc1ccccc1)[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)N1CCN(CC1)C[*:1]
COc1cccc(N2C[C@@H](C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)CC2=O)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)N1CCN(CC1)CC(=O)N[*:1]
COc1cccc(N2C[C@@H](C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)CC2=O)c1 COc1cccc(c1)[*:1] O=C(CN1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1])NCc1ccccc1
COc1cccc(N2C[C@@H](C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)CC2=O)c1 O=C(C[*:1])NCc1ccccc1 COc1cccc(c1)N1C[C@H](CC1=O)C(=O)N1CCN(CC1)[*:1]
COc1cccc(N2C[C@@H](C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)CC2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)N1CCN(CC1)CC(=O)NC[*:1]
CCc1ccccc1CNC(=O)NC(C)(C)c1ncc(C)s1 Cc1cnc(s1)[*:1] CCc1ccccc1CNC(=O)NC(C)(C)[*:1]
CCCN[C@]1(C(=O)OC)CC[C@@H](Sc2ccc(F)cc2)C1 COC(=O)[*:1] CCCN[C@@]1(CC[C@H](C1)Sc1ccc(F)cc1)[*:1]
CCCN[C@]1(C(=O)OC)CC[C@@H](Sc2ccc(F)cc2)C1 CCCN[*:1] COC(=O)[C@@]1(CC[C@H](C1)Sc1ccc(F)cc1)[*:1]
CCCN[C@]1(C(=O)OC)CC[C@@H](Sc2ccc(F)cc2)C1 CCC[*:1] COC(=O)[C@]1(CC[C@H](C1)Sc1ccc(F)cc1)N[*:1]
CCCN[C@]1(C(=O)OC)CC[C@@H](Sc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCCN[C@@]1(CC[C@H](C1)S[*:1])C(=O)OC
Cc1nccn1-c1cncc(NCC2CC[NH+](CCC(C)C)CC2)n1 CC(C)C[*:1] Cc1nccn1-c1cncc(n1)NCC1CC[NH+](CC1)C[*:1]
Cc1nccn1-c1cncc(NCC2CC[NH+](CCC(C)C)CC2)n1 CC(C)[*:1] Cc1nccn1-c1cncc(n1)NCC1CC[NH+](CC1)CC[*:1]
Cc1nccn1-c1cncc(NCC2CC[NH+](CCC(C)C)CC2)n1 Cc1nccn1[*:1] CC(C)CC[NH+]1CCC(CC1)CNc1cncc(n1)[*:1]
Cc1nccn1-c1cncc(NCC2CC[NH+](CCC(C)C)CC2)n1 CC(C)CC[*:1] Cc1nccn1-c1cncc(n1)NCC1CC[NH+](CC1)[*:1]
CCNS(=O)(=O)c1cc(-c2nn3c(C(C)C)nnc3c3ccccc23)ccc1C CCNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])-c1nn2c(nnc2c2ccccc12)C(C)C
CCNS(=O)(=O)c1cc(-c2nn3c(C(C)C)nnc3c3ccccc23)ccc1C CC(C)[*:1] CCNS(=O)(=O)c1cc(ccc1C)-c1nn2c(nnc2c2ccccc12)[*:1]
CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] CCOc1ccc(cc1)[C@@H]1SCC(=O)Nc2c1c(C)nn2[*:1]
CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 CCO[*:1] Cc1nn(-c2nc3ccccc3s2)c2NC(=O)CS[C@@H](c3ccc(cc3)[*:1])c12
CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 CCOc1ccc(cc1)[*:1] Cc1nn(-c2nc3ccccc3s2)c2NC(=O)CS[C@H](c12)[*:1]
COC(=O)Cc1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21 COC(=O)[*:1] O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1C[*:1]
COC(=O)Cc1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21 COC(=O)C[*:1] O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1[*:1]
CCCOc1cccc(NC(=O)N[C@@H]2C[C@H]2C)c1 CCC[*:1] C[C@@H]1C[C@H]1NC(=O)Nc1cccc(c1)O[*:1]
CCCOc1cccc(NC(=O)N[C@@H]2C[C@H]2C)c1 CCCO[*:1] C[C@@H]1C[C@H]1NC(=O)Nc1cccc(c1)[*:1]
C[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)OC(F)(F)F)[*:1]
C[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 FC(F)(F)O[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])[C@@H]1CCCO1
C[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 FC(F)(F)[*:1] C[C@@H](NS(=O)(=O)c1ccc(cc1)O[*:1])[C@@H]1CCCO1
CC[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCOCC1 C1CCC(C1)C[*:1] CC[C@@H](NC(=O)[*:1])C(=O)N1CCOCC1
CC[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCOCC1 C1CCC(C1)[*:1] CC[C@@H](NC(=O)C[*:1])C(=O)N1CCOCC1
CSc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)NC3=NC(=O)NC(=O)[C@@H]32)cc1 CSc1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)NC1=NC(=O)NC(=O)[C@@H]1[C@@H]2[*:1]
CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 CO[C@@H](C)C(=O)N[*:1] C[C@@H](Nc1cccc(c1)[*:1])C(=O)Nc1ccc(Cl)cn1
CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 Clc1ccc(nc1)[*:1] CO[C@@H](C)C(=O)Nc1cccc(c1)N[C@H](C)C(=O)N[*:1]
CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 CO[C@@H](C)[*:1] C[C@@H](Nc1cccc(c1)NC(=O)[*:1])C(=O)Nc1ccc(Cl)cn1
O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)N[*:1]
CC[C@H](C)c1ccccc1OCC[NH+]1CCOCC1 CC[C@H](C)[*:1] c1ccc(c(c1)OCC[NH+]1CCOCC1)[*:1]
CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl CCC[*:1] C[C@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1])c1c(Cl)cccc1Cl
CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)[*:1]
CC[NH+](CC(=O)c1c(C)cc(C)cc1C)CC(C)(C)O CC(C)(O)C[*:1] CC[NH+](CC(=O)c1c(C)cc(C)cc1C)[*:1]
CC[NH+](CC(=O)c1c(C)cc(C)cc1C)CC(C)(C)O CC(C)(O)[*:1] CC[NH+](CC(=O)c1c(C)cc(C)cc1C)C[*:1]
Cc1ccccc1C(=O)NCC(=O)NCC1(C)Cc2ccccc2C1 Cc1ccccc1[*:1] CC1(CNC(=O)CNC(=O)[*:1])Cc2ccccc2C1
CC1=C[C@H]([C@H]2NN[C@H](SCC(=O)Nc3ccccc3F)N2N)N=N1 Fc1ccccc1[*:1] CC1=C[C@@H](N=N1)[C@H]1NN[C@H](SCC(=O)N[*:1])N1N
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N1CCN(c2cccc[nH+]2)CC1 Fc1ccc(cc1)[*:1] O=C(CCc1c([nH]c2ccc(F)cc12)[*:1])N1CCN(CC1)c1cccc[nH+]1
Cn1cc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)ccc1=O C1CN(CCO1)CC[*:1] Cn1cc(ccc1=O)C(=O)N1CCCC[C@@H]1[*:1]
Cn1cc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)ccc1=O Cn1cc(ccc1=O)[*:1] O=C(N1CCCC[C@H]1CCN1CCOCC1)[*:1]
Cn1cc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)ccc1=O C1CN(CCO1)C[*:1] Cn1cc(ccc1=O)C(=O)N1CCCC[C@H]1C[*:1]
Cn1cc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)ccc1=O C1CN(CCO1)[*:1] Cn1cc(ccc1=O)C(=O)N1CCCC[C@H]1CC[*:1]
Cc1cc(C)cc(OCCN(C)C(=O)Cn2cnc([N+](=O)[O-])c2)c1 O=[N+]([O-])c1cn(cn1)[*:1] Cc1cc(C)cc(c1)OCCN(C)C(=O)C[*:1]
Cc1cc(C)cc(OCCN(C)C(=O)Cn2cnc([N+](=O)[O-])c2)c1 Cc1cc(C)cc(c1)[*:1] CN(CCO[*:1])C(=O)Cn1cnc(c1)[N+](=O)[O-]
Cc1cc(C)cc(OCCN(C)C(=O)Cn2cnc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)OCCN(C)C(=O)Cn1cnc(c1)[*:1]
c1ccc([C@H](NCc2cnc(C3CCC3)s2)C2CCCC2)nc1 C1CCC(C1)[*:1] c1ccc(nc1)[C@H](NCc1cnc(s1)C1CCC1)[*:1]
c1ccc([C@H](NCc2cnc(C3CCC3)s2)C2CCCC2)nc1 C1CC(C1)[*:1] c1ccc(nc1)[C@H](NCc1cnc(s1)[*:1])C1CCCC1
c1ccc([C@H](NCc2cnc(C3CCC3)s2)C2CCCC2)nc1 c1ccc(nc1)[*:1] c1nc(sc1CN[C@H](C1CCCC1)[*:1])C1CCC1
Cc1c(Cl)cccc1NC(=O)CNC(=O)c1c[nH]c2ccccc12 Cc1c(Cl)cccc1[*:1] O=C(CNC(=O)c1c[nH]c2ccccc12)N[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C1 NC(=O)C[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)N[C@@H](C[*:1])C(=O)[O-]
C[C@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C1 NC(=O)[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)N[C@@H](CC[*:1])C(=O)[O-]
C[C@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)N[C@@H](CCC(N)=O)[*:1]
C[C@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C1 NC(=O)CC[*:1] C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)N[C@@H](C(=O)[O-])[*:1]
CC(C)c1noc(CCN[C@H]2CCc3cc(Br)ccc32)n1 CC(C)[*:1] Brc1ccc2c(c1)CC[C@@H]2NCCc1nc(no1)[*:1]
CN(CCc1cccs1)C(=O)N[C@H](CC(N)=O)C(=O)[O-] c1csc(c1)[*:1] CN(CC[*:1])C(=O)N[C@H](CC(N)=O)C(=O)[O-]
CN(CCc1cccs1)C(=O)N[C@H](CC(N)=O)C(=O)[O-] O=C([O-])[*:1] CN(CCc1cccs1)C(=O)N[C@H](CC(N)=O)[*:1]
CN(CCc1cccs1)C(=O)N[C@H](CC(N)=O)C(=O)[O-] c1csc(c1)C[*:1] CN(C[*:1])C(=O)N[C@H](CC(N)=O)C(=O)[O-]
CN(CCc1cccs1)C(=O)N[C@H](CC(N)=O)C(=O)[O-] NC(=O)C[*:1] CN(CCc1cccs1)C(=O)N[C@H](C(=O)[O-])[*:1]
CN(CCc1cccs1)C(=O)N[C@H](CC(N)=O)C(=O)[O-] NC(=O)[*:1] CN(CCc1cccs1)C(=O)N[C@H](C[*:1])C(=O)[O-]
COC(=O)CN(Cc1ccccc1C)C(=O)C1CCC1 COC(=O)C[*:1] Cc1ccccc1CN(C(=O)C1CCC1)[*:1]
COC(=O)CN(Cc1ccccc1C)C(=O)C1CCC1 COC(=O)[*:1] Cc1ccccc1CN(C[*:1])C(=O)C1CCC1
COC(=O)CN(Cc1ccccc1C)C(=O)C1CCC1 C1CC(C1)[*:1] COC(=O)CN(Cc1ccccc1C)C(=O)[*:1]
O=S(=O)([N-]c1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(F)c(F)c1F O=S(=O)(C1CCCC1)[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1ccc(F)c(F)c1F
O=S(=O)([N-]c1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(F)c(F)c1F Fc1ccc(c(F)c1F)[*:1] O=S(=O)(c1cccc(c1)[N-]S(=O)(=O)[*:1])C1CCCC1
O=S(=O)([N-]c1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(F)c(F)c1F C1CCC(C1)[*:1] O=S(=O)([N-]c1cccc(c1)S(=O)(=O)[*:1])c1ccc(F)c(F)c1F
CSCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] O=C([O-])[*:1] CSCC(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CSCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] CSC[*:1] O=C([O-])c1ccc(cc1NC(=O)[*:1])C(F)(F)F
CSCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] CSCC(=O)N[*:1] O=C([O-])c1ccc(cc1[*:1])C(F)(F)F
CSCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] FC(F)(F)[*:1] CSCC(=O)Nc1cc(ccc1C(=O)[O-])[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)cc1 O=[N+]([O-])[*:1] O=S(=O)(Nc1ccc(Br)cc1)c1ccccc1[*:1]
CNC(=O)C[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 CNC(=O)[*:1] CS(=O)(=O)N1CCC[C@H](C[NH2+]C[*:1])C1
CNC(=O)C[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 CNC(=O)C[*:1] CS(=O)(=O)N1CCC[C@H](C[NH2+][*:1])C1
CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccnc1 c1cncc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)Nc1ccc(C)c(C)c1
CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccnc1 Cc1ccc(cc1C)[*:1] CCn1c(nnc1-c1cccnc1)SCC(=O)N[*:1]
CCOCC(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@H]1Cc1ccccc1 CCO[*:1] Cc1ccc(cc1)N1C[C@@H](Cc2ccccc2)N(CC1=O)C(=O)C[*:1]
CCOCC(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@H]1Cc1ccccc1 CCOC[*:1] Cc1ccc(cc1)N1C[C@@H](Cc2ccccc2)N(CC1=O)C(=O)[*:1]
CCOCC(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@H]1Cc1ccccc1 Cc1ccc(cc1)[*:1] CCOCC(=O)N1CC(=O)N(C[C@H]1Cc1ccccc1)[*:1]
CCOCC(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CCOCC(=O)N1CC(=O)N(C[C@@H]1[*:1])c1ccc(C)cc1
CCOCC(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CCOCC(=O)N1CC(=O)N(C[C@H]1C[*:1])c1ccc(C)cc1
COCC[NH+]1CCC(NC(c2cccs2)c2cccs2)CC1 COC[*:1] c1csc(c1)C(NC1CC[NH+](CC1)C[*:1])c1cccs1
COCC[NH+]1CCC(NC(c2cccs2)c2cccs2)CC1 c1csc(c1)[*:1] COCC[NH+]1CCC(CC1)NC(c1cccs1)[*:1]
COCC[NH+]1CCC(NC(c2cccs2)c2cccs2)CC1 COCC[*:1] c1csc(c1)C(NC1CC[NH+](CC1)[*:1])c1cccs1
CCOc1ccccc1[C@H](CC)NC(=O)N1CC[C@@H](C)[C@H](O)C1 CCO[*:1] CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](O)C1)c1ccccc1[*:1]
CC/[NH+]=C(/NCC1(O)CCOCC1)N1C[C@H]2CC=CC[C@@H]2C1 OC1(CCOCC1)[*:1] CC/[NH+]=C(/NC[*:1])N1C[C@H]2CC=CC[C@@H]2C1
Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] Cc1nc2cc(nn2c(C)c1CCC(=O)N[*:1])-c1ccccc1
Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] Cc1nc2cc(nn2c(C)c1CCC(=O)Nc1ccc2OCCOc2c1)[*:1]
O=S(=O)(NCCCn1ccc2ccccc21)c1cccc(Br)c1 Brc1cccc(c1)[*:1] O=S(=O)(NCCCn1ccc2ccccc21)[*:1]
CC(C)Cc1noc(CS[C@@H](C)C(=O)N(C)C2CCCCC2)n1 C1CCC(CC1)[*:1] CC(C)Cc1noc(CS[C@@H](C)C(=O)N(C)[*:1])n1
CC(C)Cc1noc(CS[C@@H](C)C(=O)N(C)C2CCCCC2)n1 CC(C)[*:1] C[C@H](SCc1nc(C[*:1])no1)C(=O)N(C)C1CCCCC1
CC(C)Cc1noc(CS[C@@H](C)C(=O)N(C)C2CCCCC2)n1 CC(C)C[*:1] C[C@H](SCc1nc(no1)[*:1])C(=O)N(C)C1CCCCC1
Cc1cncc(C(=O)N2CCC(OC3CCOCC3)CC2)c1 C1CC(CCO1)[*:1] Cc1cncc(c1)C(=O)N1CCC(CC1)O[*:1]
Cc1cncc(C(=O)N2CCC(OC3CCOCC3)CC2)c1 C1CC(CCO1)O[*:1] Cc1cncc(c1)C(=O)N1CCC(CC1)[*:1]
Cc1cncc(C(=O)N2CCC(OC3CCOCC3)CC2)c1 Cc1cncc(c1)[*:1] O=C(N1CCC(CC1)OC1CCOCC1)[*:1]
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1 C#CCO[*:1] O=C(Nc1ccc(F)cc1[*:1])C(=O)N[C@@H]1C[C@H]1c1ccccc1
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1 C#CC[*:1] O=C(Nc1ccc(F)cc1O[*:1])C(=O)N[C@@H]1C[C@H]1c1ccccc1
C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1[*:1]
COc1cc(NC(=O)NC2CCCCCCC2)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)NC1CCCCCCC1
COc1cc(NC(=O)NC2CCCCCCC2)ccc1NC(C)=O C1CCCC(CCC1)[*:1] COc1cc(ccc1NC(C)=O)NC(=O)N[*:1]
Cc1cc(C)cc(NC(=O)CCc2nc(-c3cccnc3)no2)c1 c1cncc(c1)[*:1] Cc1cc(C)cc(c1)NC(=O)CCc1nc(no1)[*:1]
Cc1cc(C)cc(NC(=O)CCc2nc(-c3cccnc3)no2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CCc1nc(no1)-c1cccnc1)N[*:1]
Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3)on2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)c1cc(on1)[*:1]
CCN1CCO[C@@H](c2nccc(C[NH2+]C3CC3)n2)C1 C1CC1[*:1] CCN1CCO[C@H](C1)c1nccc(C[NH2+][*:1])n1
COc1ccc(N2C[C@H](NC(=O)/C=C\c3ccc(OC)c(OC)c3)CC2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(/C=C\C(=O)N[C@@H]2CC(=O)N(C2)[*:1])cc1OC
COc1ccc(-c2nnc(SCC(=O)N3CCN(C)CC3)n2-c2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] CN1CCN(CC1)C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
COc1ccc(-c2nnc(SCC(=O)N3CCN(C)CC3)n2-c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nnc(SCC(=O)N2CCN(C)CC2)n1[*:1]
COc1ccc(-c2nnc(SCC(=O)N3CCN(C)CC3)n2-c2ccccc2)cc1OC CN1CCN(CC1)C(=O)C[*:1] COc1ccc(cc1OC)-c1nnc(S[*:1])n1-c1ccccc1
COc1ccc(-c2nnc(SCC(=O)N3CCN(C)CC3)n2-c2ccccc2)cc1OC CN1CCN(CC1)C(=O)[*:1] COc1ccc(cc1OC)-c1nnc(SC[*:1])n1-c1ccccc1
Cc1cc(N(C)C)ccc1C#N CN(C)[*:1] Cc1cc(ccc1C#N)[*:1]
O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCCO2 Fc1ccccc1[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@H]1[*:1])c1ccc2OCCCOc2c1
C[C@H]1C[C@H]1C(=O)N1CCN(CC(=O)NC2(c3ccccc3)CCC2)CC1 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)CC(=O)NC1(CCC1)[*:1]
O=C(CSc1ccc2c(c1)OCCCO2)NCCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CSc1ccc2OCCCOc2c1)NC[*:1]
O=C(CSc1ccc2c(c1)OCCCO2)NCCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1ccc2OCCCOc2c1)NCC[*:1]
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1=O CC[C@H](C)[*:1] O=C(Nc1ccc2OCCOc2c1)[C@@H]1CC(=O)N(C1)c1ccccc1[*:1]
CCn1c(COc2ccc(=O)n(-c3ccccc3)n2)nnc1SC c1ccc(cc1)[*:1] CCn1c(COc2ccc(=O)n(n2)[*:1])nnc1SC
c1ccc(CCN2CCC([NH2+]CC3CC3)CC2)cc1 c1ccc(cc1)[*:1] C1CC1C[NH2+]C1CCN(CC1)CC[*:1]
c1ccc(CCN2CCC([NH2+]CC3CC3)CC2)cc1 C1CC1[*:1] c1ccc(cc1)CCN1CCC(CC1)[NH2+]C[*:1]
c1ccc(CCN2CCC([NH2+]CC3CC3)CC2)cc1 C1CC1C[*:1] c1ccc(cc1)CCN1CCC(CC1)[NH2+][*:1]
C[C@@H]1CN(C(=O)C[C@H](O)c2ccccc2)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)C[C@H](O)[*:1]
C[C@@H]1CN(C(=O)C[C@H](O)c2ccccc2)C[C@@H](c2ccccc2)O1 O[C@H](c1ccccc1)[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)C[*:1]
C[C@@H]1CN(C(=O)C[C@H](O)c2ccccc2)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](O1)[*:1])C(=O)C[C@H](O)c1ccccc1
CCC[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2C)CCO1 Cc1ccccc1[*:1] CCC[C@H]1CN(CCO1)C(=O)[C@H]1C[C@H]1[*:1]
CCC[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2C)CCO1 CCC[*:1] Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCO[C@H](C1)[*:1]
Cc1ccc(CNC(=O)NCC(=O)NC(C)(C)C)c(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(CNC(=O)NCC(=O)NC(C)(C)C)c(c1)O[*:1]
Cc1ccc(CNC(=O)NCC(=O)NC(C)(C)C)c(OC(C)(C)C)c1 CC(C)(C)NC(=O)[*:1] Cc1ccc(CNC(=O)NC[*:1])c(c1)OC(C)(C)C
Cc1ccc(CNC(=O)NCC(=O)NC(C)(C)C)c(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1ccc(CNC(=O)NCC(=O)NC(C)(C)C)c(c1)[*:1]
Cc1ccc(CNC(=O)NCC(=O)NC(C)(C)C)c(OC(C)(C)C)c1 CC(C)(C)NC(=O)C[*:1] Cc1ccc(CNC(=O)N[*:1])c(c1)OC(C)(C)C
Cc1ccc(CNC(=O)NCC(=O)NC(C)(C)C)c(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(CNC(=O)NCC(=O)N[*:1])c(c1)OC(C)(C)C
CC(C)CCNc1ncnc2c1oc1ccccc12 CC(C)[*:1] c1ccc2c(c1)oc1c(ncnc12)NCC[*:1]
CC(C)CCNc1ncnc2c1oc1ccccc12 CC(C)CC[*:1] c1ccc2c(c1)oc1c(ncnc12)N[*:1]
CC(C)CCNc1ncnc2c1oc1ccccc12 CC(C)C[*:1] c1ccc2c(c1)oc1c(ncnc12)NC[*:1]
CC(C)CCNc1ncnc2c1oc1ccccc12 CC(C)CCN[*:1] c1ccc2c(c1)oc1c(ncnc12)[*:1]
CC(C)c1c(N)nnn1Cc1nc(-c2cccs2)no1 CC(C)[*:1] Nc1nnn(Cc2nc(no2)-c2cccs2)c1[*:1]
CC(C)c1c(N)nnn1Cc1nc(-c2cccs2)no1 c1csc(c1)[*:1] CC(C)c1c(N)nnn1Cc1nc(no1)[*:1]
NS(=O)(=O)c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)cc1C(F)(F)F NS(=O)(=O)[*:1] FC(F)(F)c1cc(ccc1[*:1])N1C[C@@H]2CC=CC[C@H]2C1
NS(=O)(=O)c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)cc1C(F)(F)F FC(F)(F)[*:1] NS(=O)(=O)c1ccc(cc1[*:1])N1C[C@@H]2CC=CC[C@H]2C1
Cc1sc(NC(=O)C[C@@H]2CCCCO2)c(C(=O)[O-])c1C C1CC[C@H](OC1)[*:1] Cc1sc(NC(=O)C[*:1])c(C(=O)[O-])c1C
Cc1sc(NC(=O)C[C@@H]2CCCCO2)c(C(=O)[O-])c1C O=C([O-])[*:1] Cc1sc(NC(=O)C[C@@H]2CCCCO2)c(c1C)[*:1]
CCN(CC(C)(C)O)C(=O)/C=C/c1sccc1C CC(C)(O)[*:1] CCN(C[*:1])C(=O)/C=C/c1sccc1C
CCN(CC(C)(C)O)C(=O)/C=C/c1sccc1C CC(C)(O)C[*:1] CCN(C(=O)/C=C/c1sccc1C)[*:1]
CCN(CC(C)(C)O)C(=O)/C=C/c1sccc1C Cc1ccsc1[*:1] CCN(CC(C)(C)O)C(=O)C=C[*:1]
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1 OCC[*:1] C[C@@H](N(Cc1ccccc1)C(=O)c1cc([nH]n1)C1CC1)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1 C1CC1[*:1] C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cc([nH]n1)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1 c1ccc(cc1)C[*:1] C[C@@H](CCO)N(C(=O)c1cc([nH]n1)C1CC1)[*:1]
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cc(C2CC2)[nH]n1 c1ccc(cc1)[*:1] C[C@@H](CCO)N(C[*:1])C(=O)c1cc([nH]n1)C1CC1
Cn1c(=O)c2c(-c3ccccc3)n3c4ccccc4nc(-c4ccccc4)c3c2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(n3c4ccccc4nc(-c4ccccc4)c3c2n(C)c1=O)[*:1]
Cn1c(=O)c2c(-c3ccccc3)n3c4ccccc4nc(-c4ccccc4)c3c2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(-c3ccccc3)n3c4ccccc4nc(c3c2n(C)c1=O)[*:1]
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccncc2)c1 c1cc(ccn1)[*:1] Cc1ccc(C)c(c1)NC(=O)C(C#N)=C[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)no1 Fc1ccc(cc1)[*:1] CCc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCN(CC1)[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)no1 CCc1nc(no1)[*:1] O=S(=O)(c1cc(cs1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1)[*:1]
c1cncc([C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)N2CCOCC2)c1 C1CN(CCO1)[*:1] c1cncc(c1)[C@H](c1nc(no1)-c1ccc2nc[nH]c2c1)[*:1]
c1cncc([C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)N2CCOCC2)c1 c1cncc(c1)[*:1] c1nc2ccc(cc2[nH]1)-c1noc(n1)[C@H](N1CCOCC1)[*:1]
c1cncc([C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)N2CCOCC2)c1 c1nc2ccc(cc2[nH]1)[*:1] c1cncc(c1)[C@H](c1nc(no1)[*:1])N1CCOCC1
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCc1cccc(OCC#N)c1 N#CCO[*:1] CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCc1cccc(c1)[*:1]
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCc1cccc(OCC#N)c1 CC(C)[*:1] C[C@H]1C[C@H]1CN(C(=O)NCc1cccc(c1)OCC#N)[*:1]
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCc1cccc(OCC#N)c1 N#CC[*:1] CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCc1cccc(c1)O[*:1]
CCC[NH2+][C@@H](c1cc(OC)cc(OC)c1)[C@H]1CC[C@H](C)C1 CCC[*:1] COc1cc(cc(c1)[C@H]([NH2+][*:1])[C@H]1CC[C@H](C)C1)OC
NC(=O)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1 c1ccc(cc1)[*:1] NC(=O)c1cccc(c1)NC(=O)COc1ccc(cc1)[*:1]
NC(=O)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1 NC(=O)[*:1] O=C(COc1ccc(cc1)-c1ccccc1)Nc1cccc(c1)[*:1]
Cc1nc(NC(=O)c2oc3c(c2C)C(=O)CCC3)sc1-c1ccccn1 c1ccc(nc1)[*:1] Cc1nc(NC(=O)c2oc3CCCC(=O)c3c2C)sc1[*:1]
O=C([O-])c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1 O=C([O-])[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2ccccc2[nH]1
CC(C)c1csc([C@H](C#N)C(=O)CCC2CCCC2)n1 C1CCC(C1)[*:1] CC(C)c1csc(n1)[C@H](C#N)C(=O)CC[*:1]
CC(C)c1csc([C@H](C#N)C(=O)CCC2CCCC2)n1 C1CCC(C1)C[*:1] CC(C)c1csc(n1)[C@H](C#N)C(=O)C[*:1]
CC(C)c1csc([C@H](C#N)C(=O)CCC2CCCC2)n1 CC(C)[*:1] N#C[C@H](C(=O)CCC1CCCC1)c1nc(cs1)[*:1]
C=CCn1c(=O)oc2cc(NC(=O)Nc3ccccc3OCC)ccc21 CCO[*:1] C=CCn1c(=O)oc2cc(ccc21)NC(=O)Nc1ccccc1[*:1]
C=CCn1c(=O)oc2cc(NC(=O)Nc3ccccc3OCC)ccc21 C=CC[*:1] CCOc1ccccc1NC(=O)Nc1ccc2c(c1)oc(=O)n2[*:1]
COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4cc(F)ccc4C)nc23)c1 Cc1ccc(F)cc1[*:1] COc1cccc(c1)Sc1nc2ccccc2n2c(=O)n(CC(=O)N[*:1])nc12
COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4cc(F)ccc4C)nc23)c1 COc1cccc(c1)S[*:1] Cc1ccc(F)cc1NC(=O)Cn1nc2c(nc3ccccc3n2c1=O)[*:1]
COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4cc(F)ccc4C)nc23)c1 Cc1ccc(F)cc1NC(=O)[*:1] COc1cccc(c1)Sc1nc2ccccc2n2c(=O)n(C[*:1])nc12
COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4cc(F)ccc4C)nc23)c1 COc1cccc(c1)[*:1] Cc1ccc(F)cc1NC(=O)Cn1nc2c(nc3ccccc3n2c1=O)S[*:1]
O=C(CCS(=O)(=O)Cc1ccccc1)N1CCN(c2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(CCS(=O)(=O)C[*:1])N1CCN(CC1)c1ccccc1F
O=C(CCS(=O)(=O)Cc1ccccc1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CCS(=O)(=O)Cc1ccccc1)N1CCN(CC1)[*:1]
O=C(CCS(=O)(=O)Cc1ccccc1)N1CCN(c2ccccc2F)CC1 c1ccc(cc1)C[*:1] O=C(CCS(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1F
Cc1ccc([C@@H]2CN3C(=O)CN(Cc4ccc(F)cc4)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 Cc1ccc(cc1)[*:1] C[C@@]12C(=O)N(CC(=O)N1C[C@H](c1c2[nH]c2ccccc12)[*:1])Cc1ccc(F)cc1
Cc1ccc([C@@H]2CN3C(=O)CN(Cc4ccc(F)cc4)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1CN2C(=O)CN(C[*:1])C(=O)[C@@]2(C)c2[nH]c3ccccc3c21
Cc1ccc([C@@H]2CN3C(=O)CN(Cc4ccc(F)cc4)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)[C@@H]1CN2C(=O)CN(C(=O)[C@@]2(C)c2[nH]c3ccccc3c21)[*:1]
CC(C)Cn1ncnc1/C=C1\CC[C@@H]([NH3+])C1 CC(C)C[*:1] [NH3+][C@@H]1CC/C(=C\c2ncnn2[*:1])C1
CC(C)Cn1ncnc1/C=C1\CC[C@@H]([NH3+])C1 CC(C)[*:1] [NH3+][C@@H]1CC/C(=C\c2ncnn2C[*:1])C1
C[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC1CCCC1)c1ccco1 C1CCC(C1)O[*:1] C[C@@H]([NH2+][C@H]1CCCC[C@H]1[*:1])c1ccco1
C[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC1CCCC1)c1ccco1 c1coc(c1)[*:1] C[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
C[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC1CCCC1)c1ccco1 C1CCC(C1)[*:1] C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O[*:1])c1ccco1
C[C@H](CS)COCc1cccc(Cl)c1 C[C@H](CS)[*:1] Clc1cccc(c1)COC[*:1]
COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)nc(N(C)C)n2)cc1 CN(C)[*:1] COc1ccc(cc1)-c1cc(nc(n1)[*:1])-c1ccc(OC)c(c1)OC
COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)nc(N(C)C)n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1cc(nc(n1)N(C)C)[*:1]
Cc1ccc(C)c(-n2ccnc2SC/C([O-])=C(/C#N)C(=O)NC(C)C)c1 Cc1ccc(C)c(c1)[*:1] CC(C)NC(=O)/C(C#N)=C(/[O-])CSc1nccn1[*:1]
Cc1ccc(C)c(-n2ccnc2SC/C([O-])=C(/C#N)C(=O)NC(C)C)c1 CC(C)[*:1] Cc1ccc(C)c(c1)-n1ccnc1SC/C([O-])=C(/C#N)C(=O)N[*:1]
Cc1ccc(C)c(-n2ccnc2SC/C([O-])=C(/C#N)C(=O)NC(C)C)c1 CC(C)NC(=O)[*:1] Cc1ccc(C)c(c1)-n1ccnc1SCC([O-])=C(C#N)[*:1]
CCC[C@@H]([NH2+]C)c1ccn(Cc2ccc(Br)cc2)c1 CCC[*:1] C[NH2+][C@@H](c1ccn(c1)Cc1ccc(Br)cc1)[*:1]
Cc1nn(CC(=O)OC[C@@H]2CN(CC(C)C)CCO2)c(=O)c2ccccc12 CC(C)C[*:1] Cc1nn(CC(=O)OC[C@@H]2CN(CCO2)[*:1])c(=O)c2ccccc12
Cc1nn(CC(=O)OC[C@@H]2CN(CC(C)C)CCO2)c(=O)c2ccccc12 CC(C)[*:1] Cc1nn(CC(=O)OC[C@@H]2CN(CCO2)C[*:1])c(=O)c2ccccc12
O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1 c1ccc(cc1)C[*:1] O=C(C[*:1])N1CCC(O)(CC1)Cn1cnc2cc(Cl)ccc2c1=O
O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1 c1ccc(cc1)CC[*:1] O=C(N1CCC(O)(CC1)Cn1cnc2cc(Cl)ccc2c1=O)[*:1]
O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1 c1ccc(cc1)[*:1] O=C(CC[*:1])N1CCC(O)(CC1)Cn1cnc2cc(Cl)ccc2c1=O
CCCC[C@H]1NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O CCCC[*:1] O=C1N[C@@H](C(=O)N1C[C@H](O)c1ccc(F)cc1F)[*:1]
CCCC[C@H]1NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O CCC[*:1] O=C1N[C@H](C[*:1])C(=O)N1C[C@H](O)c1ccc(F)cc1F
NC(=O)c1ccc(COc2ccc(I)cc2)c(F)c1 NC(=O)[*:1] Fc1cc(ccc1COc1ccc(I)cc1)[*:1]
c1ccc(Cc2n[nH]c(SC[C@H]3CO3)n2)cc1 C1O[C@H]1C[*:1] c1ccc(cc1)Cc1n[nH]c(n1)S[*:1]
c1ccc(Cc2n[nH]c(SC[C@H]3CO3)n2)cc1 C1O[C@H]1[*:1] c1ccc(cc1)Cc1n[nH]c(n1)SC[*:1]
CCC[NH2+][C@@H](c1cncnc1)[C@]1(C)CCCO1 CCC[*:1] C[C@]1(CCCO1)[C@@H]([NH2+][*:1])c1cncnc1
COCCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1 COC[*:1] O=C(CC1CCN(CC1)C(=O)C1CCCCC1)NCC[*:1]
COCCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1 COCC[*:1] O=C(CC1CCN(CC1)C(=O)C1CCCCC1)NC[*:1]
COCCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1 COCCC[*:1] O=C(CC1CCN(CC1)C(=O)C1CCCCC1)N[*:1]
COCCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1 C1CCC(CC1)[*:1] COCCCNC(=O)CC1CCN(CC1)C(=O)[*:1]
CC(C)[C@H](NC(=O)[C@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CS[C@@H]2c3ccccc3C(=O)N12)[*:1]
CC(C)[C@H](NC(=O)[C@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)N1CCCCC1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCCCC1)[*:1])[C@H]1CS[C@@H]2c3ccccc3C(=O)N12
COc1ccc(C[NH+](C)Cc2noc(C)n2)cc1F Cc1nc(no1)[*:1] COc1ccc(cc1F)C[NH+](C)C[*:1]
CO[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1Cl c1ccc(cc1)[*:1] CO[C@@H](C[NH2+]C1CCN(CC1)[*:1])c1ccccc1Cl
CO[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1Cl Clc1ccccc1[*:1] CO[C@@H](C[NH2+]C1CCN(CC1)c1ccccc1)[*:1]
NC(=O)c1ccc(C(=O)N2CCC(COc3ccccn3)CC2)cn1 c1ccc(nc1)[*:1] NC(=O)c1ccc(cn1)C(=O)N1CCC(CC1)CO[*:1]
NC(=O)c1ccc(C(=O)N2CCC(COc3ccccn3)CC2)cn1 c1ccc(nc1)OC[*:1] NC(=O)c1ccc(cn1)C(=O)N1CCC(CC1)[*:1]
NC(=O)c1ccc(C(=O)N2CCC(COc3ccccn3)CC2)cn1 NC(=O)[*:1] O=C(c1ccc(nc1)[*:1])N1CCC(CC1)COc1ccccn1
NC(=O)c1ccc(C(=O)N2CCC(COc3ccccn3)CC2)cn1 c1ccc(nc1)O[*:1] NC(=O)c1ccc(cn1)C(=O)N1CCC(CC1)C[*:1]
C[C@H](Oc1cccc(F)c1)c1nc(Cc2ccccc2)no1 c1ccc(cc1)C[*:1] C[C@H](Oc1cccc(F)c1)c1nc(no1)[*:1]
C[C@H](Oc1cccc(F)c1)c1nc(Cc2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](Oc1cccc(F)c1)c1nc(C[*:1])no1
C[C@H](Oc1cccc(F)c1)c1nc(Cc2ccccc2)no1 Fc1cccc(c1)[*:1] C[C@H](O[*:1])c1nc(Cc2ccccc2)no1
O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc2[nH]ccc2c1 O=[N+]([O-])[*:1] O=C(Cn1ccc2cc(ccc21)[*:1])Nc1ccc2[nH]ccc2c1
O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl O=C([O-])[*:1] O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1[*:1]
CCN(C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCN(C(=O)[C@@H](C)n1nnc(n1)[*:1])[C@H]1CCS(=O)(=O)C1
CCN(C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)[C@@H](C)n1nnc(n1)-c1ccccc1)[*:1]
c1cn(-c2cc(N[C@H]3CCC[C@H](C4CC4)C3)ncn2)cn1 C1CC1[*:1] c1cn(cn1)-c1cc(ncn1)N[C@H]1CCC[C@H](C1)[*:1]
c1cn(-c2cc(N[C@H]3CCC[C@H](C4CC4)C3)ncn2)cn1 c1cn(cn1)[*:1] c1nc(cc(n1)[*:1])N[C@H]1CCC[C@@H](C1)C1CC1
Cc1cc(NC(=O)C(=O)N(C)Cc2c(C)noc2C)c2ncccc2c1 Cc1noc(C)c1[*:1] Cc1cc(NC(=O)C(=O)N(C)C[*:1])c2ncccc2c1
Cc1cc(NC(=O)C(=O)N(C)Cc2c(C)noc2C)c2ncccc2c1 Cc1noc(C)c1C[*:1] Cc1cc(NC(=O)C(=O)N(C)[*:1])c2ncccc2c1
O=C([C@H]1CCOC1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 FC(F)(F)[*:1] O=C([C@H]1CCOC1)N1CCC[C@@H](C1)[C@@H]1C[C@H](n2ncnc2N1)[*:1]
O=C([C@H]1CCOC1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 C1C[C@@H](CO1)[*:1] O=C(N1CCC[C@@H](C1)[C@@H]1C[C@@H](n2ncnc2N1)C(F)(F)F)[*:1]
COc1ccccc1C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 CC(C)N(C)C(=O)[*:1] COc1ccccc1C[NH+]1CCC(CC1)[*:1]
COc1ccccc1C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 CC(C)[*:1] COc1ccccc1C[NH+]1CCC(CC1)C(=O)N(C)[*:1]
CCCn1nc(C(=O)Nc2ccnn2Cc2ccco2)c2ccccc2c1=O CCC[*:1] O=C(Nc1ccnn1Cc1ccco1)c1nn(c(=O)c2ccccc12)[*:1]
CCCn1nc(C(=O)Nc2ccnn2Cc2ccco2)c2ccccc2c1=O c1coc(c1)C[*:1] CCCn1nc(C(=O)Nc2ccnn2[*:1])c2ccccc2c1=O
CCCn1nc(C(=O)Nc2ccnn2Cc2ccco2)c2ccccc2c1=O c1coc(c1)[*:1] CCCn1nc(C(=O)Nc2ccnn2C[*:1])c2ccccc2c1=O
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(NC(=O)C[C@H]1[*:1])SCC(=O)Nc1ccccc1C(F)(F)F
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 FC(F)(F)c1ccccc1[*:1] Cc1ccc(cc1)[C@@H]1CC(=O)NC(SCC(=O)N[*:1])=C1C#N
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H]1CC(=O)NC(SCC(=O)Nc2ccccc2[*:1])=C1C#N
O=[N+]([O-])c1ccc(O)cc1CN(C[C@H](O)c1ccccc1)C1CC1 O=[N+]([O-])[*:1] Oc1ccc(c(c1)CN(C[C@H](O)c1ccccc1)C1CC1)[*:1]
O=[N+]([O-])c1ccc(O)cc1CN(C[C@H](O)c1ccccc1)C1CC1 O[C@H](c1ccccc1)[*:1] O=[N+]([O-])c1ccc(O)cc1CN(C[*:1])C1CC1
O=[N+]([O-])c1ccc(O)cc1CN(C[C@H](O)c1ccccc1)C1CC1 C1CC1[*:1] O=[N+]([O-])c1ccc(O)cc1CN(C[C@H](O)c1ccccc1)[*:1]
O=[N+]([O-])c1ccc(O)cc1CN(C[C@H](O)c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(O)cc1CN(C[C@H](O)[*:1])C1CC1
CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c1 O=[N+]([O-])[*:1] CSc1ccc(c(c1)C(=O)N[C@@H]1CCCc2ccc(F)cc21)[*:1]
CSc1cccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1 CSc1cccc(c1)[*:1] Nc1c(nnn1[*:1])C(=O)Nc1ccc(F)cc1
CSc1cccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1 Fc1ccc(cc1)[*:1] CSc1cccc(c1)-n1nnc(C(=O)N[*:1])c1N
CS(=O)(=O)CCSc1c(F)c(F)nc(F)c1F CS(=O)(=O)[*:1] Fc1nc(F)c(F)c(SCC[*:1])c1F
CS(=O)(=O)CCSc1c(F)c(F)nc(F)c1F CS(=O)(=O)C[*:1] Fc1nc(F)c(F)c(SC[*:1])c1F
CCON[C@@H]1CCO[C@]2(CCSC2)C1 CCON[*:1] C1C[C@H](C[C@@]2(CCSC2)O1)[*:1]
O=C1C[C@@H](c2ccc[nH+]c2N2CCOCC2)c2c(n[nH]c2-c2ccco2)N1 c1coc(c1)[*:1] O=C1C[C@@H](c2ccc[nH+]c2N2CCOCC2)c2c(n[nH]c2[*:1])N1
O=C1C[C@@H](c2ccc[nH+]c2N2CCOCC2)c2c(n[nH]c2-c2ccco2)N1 C1CN(CCO1)[*:1] O=C1C[C@@H](c2ccc[nH+]c2[*:1])c2c(n[nH]c2-c2ccco2)N1
CC(=O)c1c(C)[nH]c(C(=O)CN2CC=C(c3ccccc3)CC2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)CN2CC=C(CC2)c2ccccc2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)CN2CC=C(c3ccccc3)CC2)c1C c1ccc(cc1)[*:1] CC(=O)c1c(C)[nH]c(C(=O)CN2CC=C(CC2)[*:1])c1C
C#CCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CN3CC)cc1 C#CCO[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)Nc1ccc(cc1)[*:1]
C#CCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CN3CC)cc1 C#CC[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)Nc1ccc(cc1)O[*:1]
CC(C)(C)[NH2+]Cc1cnc(-c2ncc(Cl)cc2Cl)nc1 CC(C)(C)[*:1] Clc1cnc(-c2ncc(cn2)C[NH2+][*:1])c(Cl)c1
C=CC[NH2+]Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 C=CC[*:1] C1C[C@@H]2CO[C@@H](CN2C1)c1noc(C[NH2+][*:1])n1
CCOCCN(C)C(=O)c1cc([O-])c2cc(Br)ccc2n1 CCOC[*:1] CN(C[*:1])C(=O)c1cc([O-])c2cc(Br)ccc2n1
CCOCCN(C)C(=O)c1cc([O-])c2cc(Br)ccc2n1 CCOCC[*:1] CN(C(=O)c1cc([O-])c2cc(Br)ccc2n1)[*:1]
CCOCCN(C)C(=O)c1cc([O-])c2cc(Br)ccc2n1 CCO[*:1] CN(CC[*:1])C(=O)c1cc([O-])c2cc(Br)ccc2n1
CCC(CC)[C@@H](C[NH3+])Cc1ccccc1 CCC(CC)[*:1] [NH3+]C[C@@H](Cc1ccccc1)[*:1]
O=C(NCC(F)(F)F)c1cc(-c2ccc(Cl)s2)on1 Clc1ccc(s1)[*:1] O=C(NCC(F)(F)F)c1cc(on1)[*:1]
O=C(NCC(F)(F)F)c1cc(-c2ccc(Cl)s2)on1 FC(F)(F)[*:1] O=C(NC[*:1])c1cc(on1)-c1ccc(Cl)s1
O=C(NCC(F)(F)F)c1cc(-c2ccc(Cl)s2)on1 FC(F)(F)C[*:1] O=C(N[*:1])c1cc(on1)-c1ccc(Cl)s1
CCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[*:1]
CCC[C@H]1NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O CCC[*:1] N#Cc1c(cn2ccccc12)CN1C(=O)N[C@@H](C1=O)[*:1]
Cc1[nH]ncc1CCCNC(=O)NCC#Cc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]ncc1CCCNC(=O)NCC#C[*:1]
Cc1[nH]ncc1CCCNC(=O)NCC#Cc1ccccc1 Cc1[nH]ncc1C[*:1] O=C(NCC#Cc1ccccc1)NCC[*:1]
Cc1[nH]ncc1CCCNC(=O)NCC#Cc1ccccc1 Cc1[nH]ncc1[*:1] O=C(NCC#Cc1ccccc1)NCCC[*:1]
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 O=[N+]([O-])[*:1] Cc1ccc([N-]S(=O)(=O)c2ccc(cc2)[*:1])c(F)c1
COCCOc1cccc(NC(=O)C(C)(C)n2cc(Cl)cn2)c1 COCCO[*:1] CC(C)(C(=O)Nc1cccc(c1)[*:1])n1cc(Cl)cn1
COCCOc1cccc(NC(=O)C(C)(C)n2cc(Cl)cn2)c1 COCC[*:1] CC(C)(C(=O)Nc1cccc(c1)O[*:1])n1cc(Cl)cn1
COCCOc1cccc(NC(=O)C(C)(C)n2cc(Cl)cn2)c1 COC[*:1] CC(C)(C(=O)Nc1cccc(c1)OC[*:1])n1cc(Cl)cn1
COCCOc1cccc(NC(=O)C(C)(C)n2cc(Cl)cn2)c1 Clc1cnn(c1)[*:1] COCCOc1cccc(c1)NC(=O)C(C)(C)[*:1]
O[C@@H](C[C@H]1CCO[C@]2(CCSC2)C1)C1CC1 C1CC1[*:1] O[C@@H](C[C@H]1CCO[C@]2(CCSC2)C1)[*:1]
O[C@@H](C[C@H]1CCO[C@]2(CCSC2)C1)C1CC1 O[C@@H](C1CC1)[*:1] C1C[C@@H](C[C@@]2(CCSC2)O1)C[*:1]
COc1ccccc1[C@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1[nH+]ccn1C FC(F)(F)[*:1] COc1ccccc1[C@H](Nc1ccc2nnc(n2n1)[*:1])c1[nH+]ccn1C
COc1ccccc1[C@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1[nH+]ccn1C COc1ccccc1[*:1] Cn1cc[nH+]c1[C@@H](Nc1ccc2nnc(n2n1)C(F)(F)F)[*:1]
COc1cccc(COC(=O)[C@H](C)NC(C)=O)c1 CC(=O)N[C@@H](C)[*:1] COc1cccc(c1)COC(=O)[*:1]
COc1cccc(COC(=O)[C@H](C)NC(C)=O)c1 CC(=O)N[*:1] COc1cccc(c1)COC(=O)[C@H](C)[*:1]
CN(Cc1nccs1)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 C1CC1[*:1] CN(Cc1nccs1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CN(Cc1nccs1)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 c1csc(n1)[*:1] CN(C[*:1])C(=O)[C@@H]1CCCN(C1)C(=O)C1CC1
CN(Cc1nccs1)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 c1csc(C[*:1])n1 CN(C(=O)[C@@H]1CCCN(C1)C(=O)C1CC1)[*:1]
COc1cccc(N2CCC[C@@H](NS(=O)(=O)CCC3CC3)C2)c1 C1CC1[*:1] COc1cccc(c1)N1CCC[C@H](C1)NS(=O)(=O)CC[*:1]
COc1cccc(N2CCC[C@@H](NS(=O)(=O)CCC3CC3)C2)c1 C1CC1C[*:1] COc1cccc(c1)N1CCC[C@H](C1)NS(=O)(=O)C[*:1]
COc1cccc(N2CCC[C@@H](NS(=O)(=O)CCC3CC3)C2)c1 C1CC1CC[*:1] COc1cccc(c1)N1CCC[C@H](C1)NS(=O)(=O)[*:1]
CCS(=O)(=O)CCN(C)C(=O)[C@@H]1Cc2ccccc2N1C(C)=O CCS(=O)(=O)[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)CC[*:1]
CCS(=O)(=O)CCN(C)C(=O)[C@@H]1Cc2ccccc2N1C(C)=O CCS(=O)(=O)CC[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)[*:1]
CCS(=O)(=O)CCN(C)C(=O)[C@@H]1Cc2ccccc2N1C(C)=O CCS(=O)(=O)C[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)C[*:1]
CCc1ccc(-c2noc(CSCc3ccnn3C)n2)cc1 Cn1nccc1C[*:1] CCc1ccc(cc1)-c1noc(CS[*:1])n1
CCc1ccc(-c2noc(CSCc3ccnn3C)n2)cc1 Cn1nccc1[*:1] CCc1ccc(cc1)-c1noc(CSC[*:1])n1
C[NH+](CCNC(=O)CNC(=O)c1ccoc1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCNC(=O)CNC(=O)c1ccoc1)[*:1]
C[NH+](CCNC(=O)CNC(=O)c1ccoc1)C1CCCCC1 c1cc(co1)[*:1] C[NH+](CCNC(=O)CNC(=O)[*:1])C1CCCCC1
CCOC(=O)[C@H]1CCCN(C2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)C1 CCOC(=O)[*:1] CC1C(=NS(=O)(=O)C=1c1ccc(F)cc1)N1CCC[C@@H](C1)[*:1]
CCOC(=O)[C@H]1CCCN(C2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)C1 Fc1ccc(cc1)[*:1] CCOC(=O)[C@H]1CCCN(C1)C1=NS(=O)(=O)C(=C1C)[*:1]
COCCCNC(=O)[C@@H](C)Sc1nncn1C COCCC[*:1] C[C@@H](Sc1nncn1C)C(=O)N[*:1]
COCCCNC(=O)[C@@H](C)Sc1nncn1C COCC[*:1] C[C@@H](Sc1nncn1C)C(=O)NC[*:1]
COCCCNC(=O)[C@@H](C)Sc1nncn1C COC[*:1] C[C@@H](Sc1nncn1C)C(=O)NCC[*:1]
COC(=O)c1ccc(CSc2nnc(Nc3cccc(F)c3)s2)o1 Fc1cccc(c1)[*:1] COC(=O)c1ccc(CSc2nnc(N[*:1])s2)o1
COC(=O)c1ccc(CSc2nnc(Nc3cccc(F)c3)s2)o1 Fc1cccc(c1)N[*:1] COC(=O)c1ccc(CSc2nnc(s2)[*:1])o1
COC(=O)c1ccc(CSc2nnc(Nc3cccc(F)c3)s2)o1 COC(=O)[*:1] Fc1cccc(c1)Nc1nnc(SCc2ccc(o2)[*:1])s1
CC[C@@H]1CN(C(=O)c2cc(C(C)=O)n[nH]2)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H]1CN(CCC(=O)N1[*:1])C(=O)c1cc(n[nH]1)C(C)=O
CC[C@@H]1CN(C(=O)c2cc(C(C)=O)n[nH]2)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CCC(=O)N1C[*:1])C(=O)c1cc(n[nH]1)C(C)=O
CC[C@@H]1CN(C(=O)c2cc(C(C)=O)n[nH]2)CCC(=O)N1Cc1ccccc1 CC(=O)[*:1] CC[C@@H]1CN(CCC(=O)N1Cc1ccccc1)C(=O)c1cc(n[nH]1)[*:1]
CC[C@@H]1CN(C(=O)c2cc(C(C)=O)n[nH]2)CCC(=O)N1Cc1ccccc1 CC(=O)c1cc([nH]n1)[*:1] CC[C@@H]1CN(CCC(=O)N1Cc1ccccc1)C(=O)[*:1]
CCn1c(N)c(/C=N/C)c(=O)n(CC)c1=O CN=C[*:1] CCn1c(N)c(c(=O)n(CC)c1=O)[*:1]
COCC[C@@H](C)NC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C COC[*:1] Cc1cc(ccc1NC(=O)N[C@H](C)C[*:1])C(=O)N1CCC(C)CC1
COCC[C@@H](C)NC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C COCC[*:1] Cc1cc(ccc1NC(=O)N[C@H](C)[*:1])C(=O)N1CCC(C)CC1
Cc1nc([N+](=O)[O-])c(SCC(N)=O)n1Cc1ccc(F)cc1 NC(=O)C[*:1] Cc1nc(c(S[*:1])n1Cc1ccc(F)cc1)[N+](=O)[O-]
Cc1nc([N+](=O)[O-])c(SCC(N)=O)n1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(c(SCC(N)=O)n1C[*:1])[N+](=O)[O-]
Cc1nc([N+](=O)[O-])c(SCC(N)=O)n1Cc1ccc(F)cc1 NC(=O)[*:1] Cc1nc(c(SC[*:1])n1Cc1ccc(F)cc1)[N+](=O)[O-]
Cc1nc([N+](=O)[O-])c(SCC(N)=O)n1Cc1ccc(F)cc1 NC(=O)CS[*:1] Cc1nc(c(n1Cc1ccc(F)cc1)[*:1])[N+](=O)[O-]
Cc1nc([N+](=O)[O-])c(SCC(N)=O)n1Cc1ccc(F)cc1 O=[N+]([O-])[*:1] Cc1nc(c(SCC(N)=O)n1Cc1ccc(F)cc1)[*:1]
NC(=O)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(F)cc1F NC(=O)[*:1] O=C(Nc1cc(c(F)cc1F)[*:1])c1ccc(Cl)c(Cl)c1
Cc1nc2c(s1)[C@H]([NH2+]C[C@H](O)C1CCOCC1)CCC2 C1CC(CCO1)[*:1] Cc1nc2CCC[C@@H]([NH2+]C[C@H](O)[*:1])c2s1
Cc1nccn1-c1cncc(NCCc2ccc(S(C)(=O)=O)cc2)n1 Cc1nccn1[*:1] CS(=O)(=O)c1ccc(cc1)CCNc1cncc(n1)[*:1]
Cc1nccn1-c1cncc(NCCc2ccc(S(C)(=O)=O)cc2)n1 CS(=O)(=O)[*:1] Cc1nccn1-c1cncc(n1)NCCc1ccc(cc1)[*:1]
C[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 c1ccc2oc(nc2c1)S[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)NC(=O)c1ccc(F)cc1
C[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 c1ccc2oc(nc2c1)[*:1] C[C@H](NC(=O)CS[*:1])c1ccc(cc1)NC(=O)c1ccc(F)cc1
C[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(cc1)NC(=O)[*:1]
C[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 O=C(N[*:1])c1ccc(F)cc1 C[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(cc1)[*:1]
Cc1cc(=O)n2c3c(cc(S(=O)(=O)NC[C@@H]4CCCO4)cc13)CC2 C1CO[C@@H](C1)C[*:1] Cc1cc(=O)n2CCc3cc(cc1c32)S(=O)(=O)N[*:1]
Cc1cc(=O)n2c3c(cc(S(=O)(=O)NC[C@@H]4CCCO4)cc13)CC2 C1CO[C@@H](C1)[*:1] Cc1cc(=O)n2CCc3cc(cc1c32)S(=O)(=O)NC[*:1]
CC(C)CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 CC(C)[*:1] CC(C)C(=O)N1CCCc2ccc(cc21)NC(=O)C(=O)NC[*:1]
CC(C)CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 CC(C)C[*:1] CC(C)C(=O)N1CCCc2ccc(cc21)NC(=O)C(=O)N[*:1]
CC(C)CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 CC(C)[*:1] CC(C)CNC(=O)C(=O)Nc1ccc2CCCN(C(=O)[*:1])c2c1
CC(C)n1cnnc1CN(C)C(=O)CCc1cccnc1 c1cncc(c1)C[*:1] CC(C)n1cnnc1CN(C)C(=O)C[*:1]
CC(C)n1cnnc1CN(C)C(=O)CCc1cccnc1 CC(C)[*:1] CN(Cc1nncn1[*:1])C(=O)CCc1cccnc1
CC(C)n1cnnc1CN(C)C(=O)CCc1cccnc1 c1cncc(c1)[*:1] CC(C)n1cnnc1CN(C)C(=O)CC[*:1]
Cc1ccc(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)c(Cl)c1 Brc1ccc(cc1)[*:1] Cc1ccc(NC(=O)CCNC(=O)N[*:1])c(Cl)c1
Cc1ccc(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=C(CCNC(=O)Nc1ccc(Br)cc1)N[*:1]
CSc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2cnccn2)cc1 c1cnc(cn1)[*:1] CSc1ccc(cc1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
CSc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2cnccn2)cc1 CSc1ccc(cc1)[*:1] O=C(c1cnccn1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1[*:1]
CCOCCCC(=O)Nc1nc2ccc(F)cn2n1 CCOC[*:1] O=C(CC[*:1])Nc1nc2ccc(F)cn2n1
CCOCCCC(=O)Nc1nc2ccc(F)cn2n1 CCO[*:1] O=C(CCC[*:1])Nc1nc2ccc(F)cn2n1
CCOCCCC(=O)Nc1nc2ccc(F)cn2n1 CCOCC[*:1] O=C(C[*:1])Nc1nc2ccc(F)cn2n1
CCOCCCC(=O)Nc1nc2ccc(F)cn2n1 CCOCCC[*:1] O=C(Nc1nc2ccc(F)cn2n1)[*:1]
NC(=O)c1cc(Cl)ccc1N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])C[*:1] NC(=O)c1cc(Cl)ccc1N1CCO[C@@H](C1)[*:1]
NC(=O)c1cc(Cl)ccc1N1CCO[C@@H](CC(=O)[O-])C1 NC(=O)[*:1] O=C([O-])C[C@H]1CN(CCO1)c1ccc(Cl)cc1[*:1]
NC(=O)c1cc(Cl)ccc1N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])[*:1] NC(=O)c1cc(Cl)ccc1N1CCO[C@H](C1)C[*:1]
O=C(Nc1cc(F)ccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1cc(F)ccc1F)c1ccc(Cl)c(c1)[*:1]
O=C(Nc1cc(F)ccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 Fc1ccc(F)c(c1)[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCC1
Nc1nnc(SCCC(=O)Nc2c(Cl)cccc2Cl)s1 Nc1nnc(s1)[*:1] O=C(CCS[*:1])Nc1c(Cl)cccc1Cl
COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCC(=O)N1CCCCC1)NC2=O O=C(N1CCCCC1)[*:1] COc1ccc2C(=O)N[C@]3(C[C@H]4CC[C@@H]3C[C@@H]4C(=O)NC[*:1])Oc2c1
COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCC(=O)N1CCCCC1)NC2=O O=C(C[*:1])N1CCCCC1 COc1ccc2C(=O)N[C@]3(C[C@H]4CC[C@@H]3C[C@@H]4C(=O)N[*:1])Oc2c1
Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)c1C O=C(N1CCCC1)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)Nc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(Oc2ccc(Nc3ccccc3)cc2)nc1 c1ccc(cc1)N[*:1] O=[N+]([O-])c1ccc(nc1)Oc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(Oc2ccc(Nc3ccccc3)cc2)nc1 O=[N+]([O-])[*:1] c1ccc(cc1)Nc1ccc(cc1)Oc1ccc(cn1)[*:1]
O=[N+]([O-])c1ccc(Oc2ccc(Nc3ccccc3)cc2)nc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(nc1)Oc1ccc(cc1)N[*:1]
CCN(C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)[*:1]
COC[C@](C)(O)CNC(=O)[C@H](C)Oc1ccc(F)cc1Br COC[*:1] C[C@H](Oc1ccc(F)cc1Br)C(=O)NC[C@](C)(O)[*:1]
COC[C@](C)(O)CNC(=O)[C@H](C)Oc1ccc(F)cc1Br COC[C@](C)(O)C[*:1] C[C@H](Oc1ccc(F)cc1Br)C(=O)N[*:1]
COC[C@](C)(O)CNC(=O)[C@H](C)Oc1ccc(F)cc1Br COC[C@](C)(O)[*:1] C[C@H](Oc1ccc(F)cc1Br)C(=O)NC[*:1]
Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC(=O)NC3)s2)cc1 Cc1ccc(cc1)[*:1] O=C1CC[C@H](CN1)C(=O)Nc1ncc(C[*:1])s1
CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCc2c1cnn2C CCC[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)[C@@H](C[*:1])NC(N)=O
CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCc2c1cnn2C NC(=O)N[*:1] CCCC[C@@H](C(=O)N[C@@H]1CCCc2c1cnn2C)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCc2c1cnn2C CCCC[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)[C@H](NC(N)=O)[*:1]
CCCCOCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 CCCC[*:1] O=C(CO[*:1])Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1
CCCCOCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 CCC[*:1] O=C(COC[*:1])Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1
CCCCOCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 CCCCOC[*:1] O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1)[*:1]
CCCCOCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 CCCCO[*:1] O=C(C[*:1])Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1
COc1ccccc1N1CCN(c2nnc(SC)s2)CC1 CSc1nnc(s1)[*:1] COc1ccccc1N1CCN(CC1)[*:1]
C#CCOc1cccc(COC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] C#CCOc1cccc(c1)COC(=O)[C@H]1C[C@H]1[*:1]
C#CCOc1cccc(COC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1 C#CCO[*:1] O=C(OCc1cccc(c1)[*:1])[C@H]1C[C@@H]1[N+](=O)[O-]
C#CCOc1cccc(COC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1 C#CC[*:1] O=C(OCc1cccc(c1)O[*:1])[C@H]1C[C@@H]1[N+](=O)[O-]
O=C(Cl)c1nc2ccccc2[nH]1 O=C(Cl)[*:1] c1ccc2[nH]c(nc2c1)[*:1]
CCOc1ccc(NC(=O)Nc2ccc(C)s2)cc1 CCO[*:1] Cc1ccc(NC(=O)Nc2ccc(cc2)[*:1])s1
CCOc1ccc(NC(=O)Nc2ccc(C)s2)cc1 Cc1ccc(s1)[*:1] CCOc1ccc(cc1)NC(=O)N[*:1]
CCCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1cc(OC)c(OC)cc1F CCC[*:1] COc1cc(F)c(cc1OC)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[*:1]
C=C(CC)C[C@H](O)C(C)(C)[NH+](C)C C=C(CC)[*:1] C[NH+](C)C(C)(C)[C@@H](O)C[*:1]
C[C@H](C[NH2+]C(C)(C)C)[C@@H](C)N(C)Cc1ccsc1 c1cc(cs1)C[*:1] C[C@H](C[NH2+]C(C)(C)C)[C@@H](C)N(C)[*:1]
C[C@H](C[NH2+]C(C)(C)C)[C@@H](C)N(C)Cc1ccsc1 CC(C)(C)[*:1] C[C@H](C[NH2+][*:1])[C@@H](C)N(C)Cc1ccsc1
C[C@H](C[NH2+]C(C)(C)C)[C@@H](C)N(C)Cc1ccsc1 c1cc(cs1)[*:1] C[C@H](C[NH2+]C(C)(C)C)[C@@H](C)N(C)C[*:1]
Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 Cc1n[nH]c(C)c1[*:1] c1ccc(cc1)[C@@H]1OCCC[C@@H]1C[NH2+]C[*:1]
Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCCO[C@@H]1[*:1]
CC[C@@H](C(=O)[O-])N(C)C(=O)N(C)CC(C)(C)O O=C([O-])[*:1] CC[C@@H](N(C)C(=O)N(C)CC(C)(C)O)[*:1]
CC[C@@H](C(=O)[O-])N(C)C(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] CC[C@@H](C(=O)[O-])N(C)C(=O)N(C)C[*:1]
CC[C@@H](C(=O)[O-])N(C)C(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] CC[C@@H](C(=O)[O-])N(C)C(=O)N(C)[*:1]
Cc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccco2)cc1Br Cc1ccc(cc1Br)[*:1] O=C(/C=C/c1ccco1)NC(=S)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccco2)cc1Br C(=C[*:1])c1ccco1 Cc1ccc(cc1Br)C(=O)NNC(=S)NC(=O)[*:1]
Cc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccco2)cc1Br c1coc(c1)[*:1] Cc1ccc(cc1Br)C(=O)NNC(=S)NC(=O)C=C[*:1]
CCCCCOc1nc(C(F)(F)F)ccc1C(N)=S CCCC[*:1] NC(=S)c1ccc(nc1OC[*:1])C(F)(F)F
CCCCCOc1nc(C(F)(F)F)ccc1C(N)=S NC(=S)[*:1] CCCCCOc1nc(ccc1[*:1])C(F)(F)F
CCCCCOc1nc(C(F)(F)F)ccc1C(N)=S CCC[*:1] NC(=S)c1ccc(nc1OCC[*:1])C(F)(F)F
CCCCCOc1nc(C(F)(F)F)ccc1C(N)=S FC(F)(F)[*:1] CCCCCOc1nc(ccc1C(N)=S)[*:1]
CCCCCOc1nc(C(F)(F)F)ccc1C(N)=S CCCCC[*:1] NC(=S)c1ccc(nc1O[*:1])C(F)(F)F
CCCCCOc1nc(C(F)(F)F)ccc1C(N)=S CCCCCO[*:1] NC(=S)c1ccc(nc1[*:1])C(F)(F)F
Cn1cc(C(=O)NCCC[NH+]2CCCCC2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)NCCC[NH+]2CCCCC2)c(n1)[*:1]
O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1nnc(o1)-c1ccc(Br)cc1)c1cc(Cl)ccc1[*:1]
O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cc(Cl)ccc1[N+](=O)[O-] Brc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)c2ccco2)cc1 c1coc(c1)[*:1] COC(=O)c1ccc(cc1)S(=O)(=O)N(C)[C@H](C)[*:1]
COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)c2ccco2)cc1 COC(=O)[*:1] C[C@H](c1ccco1)N(C)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)CCn1cc(C(=O)NCc2ccc([S@@](C)=O)cc2)nn1 CC(C)[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)c1cn(CC[*:1])nn1
CC(C)CCn1cc(C(=O)NCc2ccc([S@@](C)=O)cc2)nn1 CC(C)C[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)c1cn(C[*:1])nn1
CC(C)CCn1cc(C(=O)NCc2ccc([S@@](C)=O)cc2)nn1 CC(C)CC[*:1] C[S@@](=O)c1ccc(cc1)CNC(=O)c1cn(nn1)[*:1]
COc1ccc(CNc2ncnc(Nc3ccccc3C)c2N)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1Nc1ncnc(NC[*:1])c1N
COc1ccc(CNc2ncnc(Nc3ccccc3C)c2N)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)CNc1ncnc(N[*:1])c1N
COc1ccc(CNc2ncnc(Nc3ccccc3C)c2N)cc1 Cc1ccccc1N[*:1] COc1ccc(cc1)CNc1ncnc(c1N)[*:1]
CCn1cc[nH+]c1CN1CCN(Cc2ccccc2C)[C@H](CCO)C1 OCC[*:1] CCn1cc[nH+]c1CN1CCN(Cc2ccccc2C)[C@H](C1)[*:1]
CCn1cc[nH+]c1CN1CCN(Cc2ccccc2C)[C@H](CCO)C1 Cc1ccccc1[*:1] CCn1cc[nH+]c1CN1CCN(C[*:1])[C@H](CCO)C1
CCn1cc[nH+]c1CN1CCN(Cc2ccccc2C)[C@H](CCO)C1 Cc1ccccc1C[*:1] CCn1cc[nH+]c1CN1CCN([C@H](CCO)C1)[*:1]
Cc1cc(C(=O)NC2CCC(NS(C)(=O)=O)CC2)c(F)cc1F CS(=O)(=O)N[*:1] Cc1cc(C(=O)NC2CCC(CC2)[*:1])c(F)cc1F
C[C@H]1CCCN(C(=O)NCC(N)=[NH2+])C1 NC(=[NH2+])[*:1] C[C@H]1CCCN(C1)C(=O)NC[*:1]
C[C@H]1CCCN(C(=O)NCC(N)=[NH2+])C1 NC(=[NH2+])C[*:1] C[C@H]1CCCN(C1)C(=O)N[*:1]
CCC[C@H](C)NC(=O)[C@H](C)Nc1ccc(Cl)cc1 CCC[*:1] C[C@H](Nc1ccc(Cl)cc1)C(=O)N[C@@H](C)[*:1]
CCC[C@H](C)NC(=O)[C@H](C)Nc1ccc(Cl)cc1 CCC[C@H](C)[*:1] C[C@H](Nc1ccc(Cl)cc1)C(=O)N[*:1]
COc1ccc(NC(=O)N2CCN(c3cc(OC)nc(OC)n3)CC2)cc1 COc1ccc(cc1)[*:1] COc1cc(nc(n1)OC)N1CCN(CC1)C(=O)N[*:1]
CC(C)C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12 Fc1ccccc1[*:1] CC(C)C(=O)Nc1c(oc2cccnc12)C(=O)N[*:1]
CC(C)C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12 CC(C)[*:1] O=C(Nc1ccccc1F)c1oc2cccnc2c1NC(=O)[*:1]
CC(C)C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12 CC(C)C(=O)N[*:1] O=C(Nc1ccccc1F)c1oc2cccnc2c1[*:1]
Cn1nnnc1Sc1csc(C(=O)[O-])c1 O=C([O-])[*:1] Cn1nnnc1Sc1csc(c1)[*:1]
O=c1cc(CO)occ1OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=c1cc(CO)occ1OC[*:1]
CCC(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)CC1 CC(C)[*:1] CCC(=O)N1CCCN(CC1)C(=O)[C@H]1C[C@@H]1c1ccc(cc1)[*:1]
CN(CCO)c1cc(CCl)nc(Cl)n1 OCC[*:1] CN(c1cc(CCl)nc(Cl)n1)[*:1]
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc12 Fc1ccc(cc1)C[*:1] Cc1nn(c2sc(cc12)C(=O)N1C[C@@H](C)O[C@H](C)C1)[*:1]
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc12 Fc1ccc(cc1)[*:1] Cc1nn(C[*:1])c2sc(cc12)C(=O)N1C[C@@H](C)O[C@H](C)C1
O=C(Nc1nc[nH]n1)c1sc2cc(Cl)ccc2c1Cl c1nc(n[nH]1)[*:1] O=C(N[*:1])c1sc2cc(Cl)ccc2c1Cl
CCn1c(C)cc(CNc2cccc(C(C)C)c2)c1C CC(C)[*:1] CCn1c(C)cc(CNc2cccc(c2)[*:1])c1C
C[C@H](Oc1ccccc1C#N)C(=O)OC[C@H]1CCCCO1 C1CC[C@@H](OC1)[*:1] C[C@H](Oc1ccccc1C#N)C(=O)OC[*:1]
C[C@H](Oc1ccccc1C#N)C(=O)OC[C@H]1CCCCO1 C1CC[C@H](C[*:1])OC1 C[C@H](Oc1ccccc1C#N)C(=O)O[*:1]
C[C@@H]1CCC[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)[C@@H]1C CN(C)C(=O)[*:1] C[C@@H]1CCC[C@H](NC(=O)c2ccc(cc2)[*:1])[C@@H]1C
CCCc1sc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1CC CCC[*:1] CCc1cc(sc1[*:1])C(=O)NN1C(=O)NC2(CCCCC2)C1=O
COCCc1nc(-c2nc3c([nH]2)C[C@@H](c2ccc(F)cc2)CNC3=O)no1 Fc1ccc(cc1)[*:1] COCCc1nc(no1)-c1nc2C(=O)NC[C@H](Cc2[nH]1)[*:1]
COCCc1nc(-c2nc3c([nH]2)C[C@@H](c2ccc(F)cc2)CNC3=O)no1 COC[*:1] O=C1NC[C@@H](Cc2[nH]c(nc21)-c1noc(C[*:1])n1)c1ccc(F)cc1
COCCc1nc(-c2nc3c([nH]2)C[C@@H](c2ccc(F)cc2)CNC3=O)no1 COCC[*:1] O=C1NC[C@@H](Cc2[nH]c(nc21)-c1noc(n1)[*:1])c1ccc(F)cc1
COCCc1nc(-c2nc3c([nH]2)C[C@@H](c2ccc(F)cc2)CNC3=O)no1 COCCc1nc(no1)[*:1] O=C1NC[C@@H](Cc2[nH]c(nc21)[*:1])c1ccc(F)cc1
COc1cnc(SCC(=O)[O-])[nH]c1=O O=C([O-])[*:1] COc1cnc([nH]c1=O)SC[*:1]
COc1cnc(SCC(=O)[O-])[nH]c1=O O=C([O-])C[*:1] COc1cnc([nH]c1=O)S[*:1]
CCOC(=O)C[NH+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] CCOC(=O)C[NH+]1CCCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCOC(=O)C[NH+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 CCOC(=O)[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N1CCC[NH+](CC1)C[*:1]
CCOC(=O)C[NH+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 CCOC(=O)C[*:1] O=C(c1ccc(cc1)[N+](=O)[O-])N1CCC[NH+](CC1)[*:1]
C[C@]1(C(=O)OCC(=O)c2ccc(Br)s2)CC1(Cl)Cl Brc1ccc(s1)[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)OCC(=O)[*:1]
C[C@]1(C(=O)OCC(=O)c2ccc(Br)s2)CC1(Cl)Cl C[C@@]1(CC1(Cl)Cl)[*:1] O=C(COC(=O)[*:1])c1ccc(Br)s1
COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c2ccccc12 O=[N+]([O-])[*:1] COc1ccc(/N=C/c2cc(ccc2[O-])[*:1])c2ccccc12
O=C(C[C@@H](O)c1cccc(F)c1)NCCSc1ccccc1F Fc1ccccc1[*:1] O=C(C[C@@H](O)c1cccc(F)c1)NCCS[*:1]
O=C(C[C@@H](O)c1cccc(F)c1)NCCSc1ccccc1F Fc1cccc(c1)[*:1] O=C(C[C@@H](O)[*:1])NCCSc1ccccc1F
O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1cccc(C2OCCO2)c1 C1COC(O1)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)c1cccc(c1)[*:1]
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1nc[nH]n1 c1nc(n[nH]1)[*:1] C[C@H]1CC[C@@H](CN1C(=O)[*:1])C(N)=O
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1nc[nH]n1 NC(=O)[*:1] C[C@H]1CC[C@H](CN1C(=O)c1nc[nH]n1)[*:1]
CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1OC(=O)c2ccccc21 Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)C[C@H]1OC(=O)c2ccccc21
CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1OC(=O)c2ccccc21 Clc1ccc(C[*:1])s1 CCN(C(=O)C[C@H]1OC(=O)c2ccccc21)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCO c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CNC(=O)NCCO)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCO OCC[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCO O=C(NCCO)N[*:1] Cc1nn(Cc2ccccc2)c(C)c1C[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCCO c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)NCCO
Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)[O-])cc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)-n1nc(ccc1=O)S[*:1]
Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)[O-])cc3)n2)cc1 Cc1ccc(cc1)S[*:1] O=C([O-])c1ccc(cc1)-n1nc(ccc1=O)[*:1]
Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)[O-])cc3)n2)cc1 O=C([O-])[*:1] Cc1ccc(cc1)Sc1ccc(=O)n(n1)-c1ccc(cc1)[*:1]
COc1ccc(-c2nc(CNc3cc(C#N)ccc3Cl)no2)cc1 COc1ccc(cc1)[*:1] N#Cc1ccc(Cl)c(c1)NCc1noc(n1)[*:1]
Cc1cnn(-c2ccc([C@H](C)NC(=O)Cc3cccnc3)cc2F)c1 c1cncc(c1)C[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@H](C)NC(=O)[*:1]
Cc1cnn(-c2ccc([C@H](C)NC(=O)Cc3cccnc3)cc2F)c1 Cc1cnn(c1)[*:1] C[C@H](NC(=O)Cc1cccnc1)c1ccc(c(F)c1)[*:1]
Cc1cnn(-c2ccc([C@H](C)NC(=O)Cc3cccnc3)cc2F)c1 c1cncc(c1)[*:1] Cc1cnn(c1)-c1ccc(cc1F)[C@H](C)NC(=O)C[*:1]
O=C(NCCc1ccsc1)N[C@H]1CCCCC[C@@H]1C(=O)[O-] c1cc(cs1)C[*:1] O=C(NC[*:1])N[C@H]1CCCCC[C@@H]1C(=O)[O-]
O=C(NCCc1ccsc1)N[C@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(NCCc1ccsc1)N[C@H]1CCCCC[C@H]1[*:1]
O=C(NCCc1ccsc1)N[C@H]1CCCCC[C@@H]1C(=O)[O-] c1cc(cs1)[*:1] O=C(NCC[*:1])N[C@H]1CCCCC[C@@H]1C(=O)[O-]
O=C(NCCc1ccsc1)N[C@H]1CCCCC[C@@H]1C(=O)[O-] c1cc(cs1)CC[*:1] O=C(N[C@H]1CCCCC[C@@H]1C(=O)[O-])N[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NNC(=O)CCC2CCCCC2)C1 C1CCC(CC1)C[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NNC(=O)C[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NNC(=O)CCC2CCCCC2)C1 C1CCC(CC1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)NNC(=O)CC[*:1]
C[C@@H]1c2ccccc2CCN1C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] C[C@@H]1c2ccccc2CCN1C(=O)c1cnc(cn1)O[*:1]
C[C@@H]1c2ccccc2CCN1C(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] C[C@@H]1c2ccccc2CCN1C(=O)c1cnc(cn1)[*:1]
CC[C@@H](C)N(CC)C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)N(CC)C(=O)N[C@H]1CCCCC[C@H]1[*:1]
CC[C@@H](C)N(CC)C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] CC[C@@H](C)[*:1] CCN(C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-])[*:1]
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] Cc1ccc(c(C)c1NC(=O)NC[C@H]1CCS(=O)(=O)C1)[*:1]
CCc1nc(CN2CCN(C(=O)Nc3cnccc3C)CC2)cs1 Cc1ccncc1[*:1] CCc1nc(cs1)CN1CCN(CC1)C(=O)N[*:1]
CCc1nc(CN2CCN(C(=O)Nc3cnccc3C)CC2)cs1 CCc1nc(cs1)[*:1] Cc1ccncc1NC(=O)N1CCN(CC1)C[*:1]
CCc1nc(CN2CCN(C(=O)Nc3cnccc3C)CC2)cs1 CCc1nc(cs1)C[*:1] Cc1ccncc1NC(=O)N1CCN(CC1)[*:1]
CCC(CC)(C(=O)Nc1cc(C(=O)NC2CC2)ccc1C)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)(C(=O)Nc1cc(ccc1C)C(=O)NC1CC1)[*:1]
CCC(CC)(C(=O)Nc1cc(C(=O)NC2CC2)ccc1C)c1ccccc1 C1CC1[*:1] CCC(CC)(C(=O)Nc1cc(ccc1C)C(=O)N[*:1])c1ccccc1
CCC(CC)(C(=O)Nc1cc(C(=O)NC2CC2)ccc1C)c1ccccc1 O=C(NC1CC1)[*:1] CCC(CC)(C(=O)Nc1cc(ccc1C)[*:1])c1ccccc1
COCCNC(=O)C(=O)Nc1cc(C)cc(C)c1 COC[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)NC[*:1]
COCCNC(=O)C(=O)Nc1cc(C)cc(C)c1 COCC[*:1] Cc1cc(C)cc(c1)NC(=O)C(=O)N[*:1]
O=C(Cn1cccc1C(=O)[O-])NCC1CCCC1 C1CCC(C1)C[*:1] O=C(Cn1cccc1C(=O)[O-])N[*:1]
O=C(Cn1cccc1C(=O)[O-])NCC1CCCC1 O=C([O-])[*:1] O=C(Cn1cccc1[*:1])NCC1CCCC1
O=C(Cn1cccc1C(=O)[O-])NCC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1cccc1C(=O)[O-])NC[*:1]
CN(CCOCCS)c1ccccc1 SCC[*:1] CN(CCO[*:1])c1ccccc1
CN(CCOCCS)c1ccccc1 SCCO[*:1] CN(CC[*:1])c1ccccc1
Cc1nc2ccccc2n1CCCNC(=O)NC[C@H](O)C1CCOCC1 C1CC(CCO1)[*:1] Cc1nc2ccccc2n1CCCNC(=O)NC[C@H](O)[*:1]
Cc1ccc(OC[C@H]2CC[NH2+]C2)c(C(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(OC[C@H]2CC[NH2+]C2)c(c1)[*:1]
C=CCOc1c(C[NH+](C)C2CCN(S(C)(=O)=O)CC2)c(C)nn1C C=CCO[*:1] Cc1nn(C)c(c1C[NH+](C)C1CCN(CC1)S(C)(=O)=O)[*:1]
C=CCOc1c(C[NH+](C)C2CCN(S(C)(=O)=O)CC2)c(C)nn1C C=CC[*:1] Cc1nn(C)c(O[*:1])c1C[NH+](C)C1CCN(CC1)S(C)(=O)=O
CC[C@H]1CC[C@@](C(=O)[O-])(C2CCCC2)C1 C1CCC(C1)[*:1] CC[C@H]1CC[C@](C1)(C(=O)[O-])[*:1]
CC[C@H]1CC[C@@](C(=O)[O-])(C2CCCC2)C1 O=C([O-])[*:1] CC[C@H]1CC[C@](C1)(C1CCCC1)[*:1]
Cc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4C(N)=O)c2=O)C(=O)CCC3)cc1 NC(=O)c1ccccc1[*:1] Cc1ccc(cc1)-n1c2CCCC(=O)c2cc(C(=O)N[*:1])c1=O
Cc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4C(N)=O)c2=O)C(=O)CCC3)cc1 Cc1ccc(cc1)[*:1] NC(=O)c1ccccc1NC(=O)c1cc2C(=O)CCCc2n(c1=O)[*:1]
Cc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4C(N)=O)c2=O)C(=O)CCC3)cc1 NC(=O)[*:1] Cc1ccc(cc1)-n1c2CCCC(=O)c2cc(C(=O)Nc2ccccc2[*:1])c1=O
Cc1ncc([C@@H](C)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)s1 c1ccc(cc1)[*:1] Cc1ncc(s1)[C@@H](C)N[C@H]1CC(=O)N(CCO[*:1])C1
Cc1ncc([C@@H](C)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)s1 c1ccc(cc1)O[*:1] Cc1ncc(s1)[C@@H](C)N[C@H]1CC(=O)N(CC[*:1])C1
Cc1ncc([C@@H](C)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)s1 Cc1ncc(s1)[*:1] C[C@@H](N[C@H]1CC(=O)N(CCOc2ccccc2)C1)[*:1]
Cc1ncc([C@@H](C)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)s1 c1ccc(cc1)OC[*:1] Cc1ncc(s1)[C@@H](C)N[C@H]1CC(=O)N(C1)C[*:1]
Cc1cc(NS(=O)(=O)CC(=O)[O-])ccn1 O=C([O-])[*:1] Cc1cc(ccn1)NS(=O)(=O)C[*:1]
Cc1cc(NS(=O)(=O)CC(=O)[O-])ccn1 O=C([O-])C[*:1] Cc1cc(ccn1)NS(=O)(=O)[*:1]
CCC[NH2+][C@H](Cc1ccc(F)c(F)c1)c1ccncc1 CCC[*:1] Fc1ccc(cc1F)C[C@@H]([NH2+][*:1])c1ccncc1
CCC[NH2+][C@H](Cc1ccc(F)c(F)c1)c1ccncc1 c1cc(ccn1)[*:1] CCC[NH2+][C@H](Cc1ccc(F)c(F)c1)[*:1]
Cc1cccc2sc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)nc12 C1CC1[*:1] Cc1cccc2sc(nc12)NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
O=C([O-])C1(Cc2cccc(F)c2)CCC(F)(F)CC1 O=C([O-])[*:1] Fc1cccc(c1)CC1(CCC(F)(F)CC1)[*:1]
O=C(NCC1(N2CCOCC2)CCCCC1)N(Cc1cccs1)C1CC1 C1CN(CCO1)[*:1] O=C(NCC1(CCCCC1)[*:1])N(Cc1cccs1)C1CC1
O=C(NCC1(N2CCOCC2)CCCCC1)N(Cc1cccs1)C1CC1 c1csc(c1)[*:1] O=C(NCC1(CCCCC1)N1CCOCC1)N(C[*:1])C1CC1
O=C(NCC1(N2CCOCC2)CCCCC1)N(Cc1cccs1)C1CC1 c1csc(c1)C[*:1] O=C(NCC1(CCCCC1)N1CCOCC1)N(C1CC1)[*:1]
O=C(NCC1(N2CCOCC2)CCCCC1)N(Cc1cccs1)C1CC1 C1CC1[*:1] O=C(NCC1(CCCCC1)N1CCOCC1)N(Cc1cccs1)[*:1]
CNS(=O)(=O)c1cccc([C@H](C)NCc2cc(C#N)ccc2F)c1 CNS(=O)(=O)[*:1] C[C@H](NCc1cc(C#N)ccc1F)c1cccc(c1)[*:1]
COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(ccc1[*:1])C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C
COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(ccc1O[*:1])C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C
COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)ccc1OCC(N)=O CC(C)(C)[*:1] COc1cc(ccc1OCC(N)=O)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(ccc1OC[*:1])C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C
Cc1ccccc1NC(=O)c1ccc(N(C)C)cc1 CN(C)[*:1] Cc1ccccc1NC(=O)c1ccc(cc1)[*:1]
CN1CCN(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1=O CN1CCN(C1=O)[*:1] O=C(c1ccc(F)c(Cl)c1)N1CCC(CC1)[*:1]
C[C@@H]1CC(C(=O)Nc2cccc(COCc3ccco3)c2)C[C@@H](C)O1 c1coc(c1)COC[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1cccc(c1)[*:1]
C[C@@H]1CC(C(=O)Nc2cccc(COCc3ccco3)c2)C[C@@H](C)O1 c1coc(c1)C[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1cccc(c1)CO[*:1]
C[C@@H]1CC(C(=O)Nc2cccc(COCc3ccco3)c2)C[C@@H](C)O1 c1coc(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1cccc(c1)COC[*:1]
C[C@@H]1CC(C(=O)Nc2cccc(COCc3ccco3)c2)C[C@@H](C)O1 c1coc(c1)CO[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1cccc(c1)C[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[C@H]1CCCO[C@@H]1[*:1]
CCOC(=O)C1(C)CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)[C@H]1CCCO[C@H]1c1ccccc1)[*:1]
CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1 CCc1ccc(cc1)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)C(=O)N1CCCCC1)[*:1]
CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1 O=C(N1CCCCC1)[*:1] CCc1ccc(cc1)[C@@H](C)[NH2+]Cc1ccc(cc1)[*:1]
C#CCN1CCN(CC(=O)N[C@H](C(C)=O)C(C)C)CC1 CC(C)[*:1] C#CCN1CCN(CC1)CC(=O)N[C@H](C(C)=O)[*:1]
C#CCN1CCN(CC(=O)N[C@H](C(C)=O)C(C)C)CC1 CC(=O)[*:1] C#CCN1CCN(CC1)CC(=O)N[C@H](C(C)C)[*:1]
C#CCN1CCN(CC(=O)N[C@H](C(C)=O)C(C)C)CC1 C#CC[*:1] CC(=O)[C@@H](NC(=O)CN1CCN(CC1)[*:1])C(C)C
C=CCCC(=O)Nc1cc(C)c(F)cc1C(N)=O C=CCC[*:1] Cc1cc(NC(=O)[*:1])c(cc1F)C(N)=O
C=CCCC(=O)Nc1cc(C)c(F)cc1C(N)=O C=CC[*:1] Cc1cc(NC(=O)C[*:1])c(cc1F)C(N)=O
C=CCCC(=O)Nc1cc(C)c(F)cc1C(N)=O NC(=O)[*:1] C=CCCC(=O)Nc1cc(C)c(F)cc1[*:1]
CC1(C)Cc2cccc(OCC(=O)NCC3(O)CCCC3)c2O1 OC1(CCCC1)[*:1] CC1(C)Cc2cccc(OCC(=O)NC[*:1])c2O1
CC1(C)Cc2cccc(OCC(=O)NCC3(O)CCCC3)c2O1 OC1(CCCC1)C[*:1] CC1(C)Cc2cccc(OCC(=O)N[*:1])c2O1
Cc1ccc(NC(=O)[C@H](OC(=O)c2cccnc2Cl)c2ccccc2)c([N+](=O)[O-])c1 Cc1ccc(c(c1)[N+](=O)[O-])[*:1] O=C(O[C@@H](C(=O)N[*:1])c1ccccc1)c1cccnc1Cl
Cc1ccc(NC(=O)[C@H](OC(=O)c2cccnc2Cl)c2ccccc2)c([N+](=O)[O-])c1 Clc1ncccc1[*:1] Cc1ccc(NC(=O)[C@H](OC(=O)[*:1])c2ccccc2)c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)[C@H](OC(=O)c2cccnc2Cl)c2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)[C@H](OC(=O)c2cccnc2Cl)c2ccccc2)c(c1)[*:1]
Cc1ccc(NC(=O)[C@H](OC(=O)c2cccnc2Cl)c2ccccc2)c([N+](=O)[O-])c1 O=C(O[*:1])c1cccnc1Cl Cc1ccc(NC(=O)[C@H](c2ccccc2)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(NC(=O)[C@H](OC(=O)c2cccnc2Cl)c2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@H](OC(=O)c2cccnc2Cl)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)c2ccc(OC(=S)N3CCC(C)CC3)cc2)cc1 COc1ccc(cc1)[*:1] CC1CCN(CC1)C(=S)Oc1ccc(cc1)C(=O)N[*:1]
CC(=O)C1=C(C)C(C(=O)NC[C@H]2C(=O)N=C(C)C=C2C)=N[C@H]1C CC(=O)[*:1] CC1=CC(C)=NC(=O)[C@@H]1CNC(=O)C1=N[C@@H](C)C(=C1C)[*:1]
Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1c(F)cc(cc1NC(=O)Cc1ccc(cc1)C(F)(F)F)C(=O)NC[*:1]
Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)c1ccc(cc1)[*:1] Cc1c(F)cc(cc1NC(=O)C[*:1])C(=O)NCC(F)(F)F
Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1c(F)cc(cc1NC(=O)Cc1ccc(cc1)[*:1])C(=O)NCC(F)(F)F
Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 O=C(NCC(F)(F)F)[*:1] Cc1c(F)cc(cc1NC(=O)Cc1ccc(cc1)C(F)(F)F)[*:1]
Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 FC(F)(F)C[*:1] Cc1c(F)cc(cc1NC(=O)Cc1ccc(cc1)C(F)(F)F)C(=O)N[*:1]
CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(C)s2)C1 Cc1cc(sc1C)[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)S(=O)(=O)[*:1]
C[C@@H](C1CC1)n1cc(C#N)c([O-])nc1=O C[C@@H](C1CC1)[*:1] N#Cc1cn(c(=O)nc1[O-])[*:1]
C[C@@H](C1CC1)n1cc(C#N)c([O-])nc1=O C1CC1[*:1] C[C@@H](n1cc(C#N)c([O-])nc1=O)[*:1]
CCCNC(=O)C(=O)NC[C@]1(O)CCc2ccccc21 CCC[*:1] O=C(NC[C@]1(O)CCc2ccccc21)C(=O)N[*:1]
C[C@H]1Cc2ccccc2N1C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H]1Cc2ccccc2N1C(=O)N[*:1]
C[C@H]1Cc2ccccc2N1C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H]1Cc2ccccc2N1C(=O)NC[*:1]
Cc1oc(C(=O)N2CC[C@@H](c3ccccc3)C2)cc1S(=O)(=O)N(C)C c1ccc(cc1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)N1CC[C@@H](C1)[*:1]
Cc1oc(C(=O)N2CC[C@@H](c3ccccc3)C2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N1CC[C@H](C1)c1ccccc1
CCOC[C@@H]1CCCN(C(=O)Nc2nccs2)C1 CCOC[*:1] O=C(Nc1nccs1)N1CCC[C@H](C1)[*:1]
CCOC[C@@H]1CCCN(C(=O)Nc2nccs2)C1 c1csc(n1)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)N[*:1]
CCOC[C@@H]1CCCN(C(=O)Nc2nccs2)C1 CCO[*:1] O=C(Nc1nccs1)N1CCC[C@H](C1)C[*:1]
NC(=O)c1cc(OC2CC[NH+](CC(=O)N3CCCCCCC3)CC2)ccn1 NC(=O)c1cc(ccn1)[*:1] O=C(C[NH+]1CCC(CC1)O[*:1])N1CCCCCCC1
NC(=O)c1cc(OC2CC[NH+](CC(=O)N3CCCCCCC3)CC2)ccn1 NC(=O)[*:1] O=C(C[NH+]1CCC(CC1)Oc1ccnc(c1)[*:1])N1CCCCCCC1
CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccncc1 Clc1ccc(cc1)[*:1] CC(C)Cn1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CC(C)Cn1c(nnc1[*:1])SCC(=O)Nc1ccc(Cl)cc1
CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccncc1 CC(C)C[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])Nc1ccc(Cl)cc1
CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccncc1 CC(C)[*:1] O=C(CSc1nnc(-c2ccncc2)n1C[*:1])Nc1ccc(Cl)cc1
NC(=O)[C@@H](Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 C1CO[C@H](C1)C[*:1] NC(=O)[C@@H](Nc1ccc(cc1)NC(=O)N[*:1])c1ccccc1
NC(=O)[C@@H](Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 NC(=O)[*:1] O=C(NC[C@H]1CCCO1)Nc1ccc(cc1)N[C@@H](c1ccccc1)[*:1]
NC(=O)[C@@H](Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 C1CO[C@H](C1)[*:1] NC(=O)[C@@H](Nc1ccc(cc1)NC(=O)NC[*:1])c1ccccc1
NC(=O)[C@@H](Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](Nc1ccc(cc1)NC(=O)NC[C@H]1CCCO1)[*:1]
Cc1oc(-c2ccccc2Cl)cc1C(=O)NCc1cc(=O)[nH]cn1 O=c1cc(C[*:1])nc[nH]1 Cc1oc(cc1C(=O)N[*:1])-c1ccccc1Cl
Cc1oc(-c2ccccc2Cl)cc1C(=O)NCc1cc(=O)[nH]cn1 O=c1cc(nc[nH]1)[*:1] Cc1oc(cc1C(=O)NC[*:1])-c1ccccc1Cl
Cc1oc(-c2ccccc2Cl)cc1C(=O)NCc1cc(=O)[nH]cn1 Clc1ccccc1[*:1] Cc1oc(cc1C(=O)NCc1cc(=O)[nH]cn1)[*:1]
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)cc1 CCO[*:1] COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)cc1 CCOc1ccc(cc1)[*:1] COc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[*:1]
N#C/C(=C\c1cccs1)C(=O)Nc1ccc(Cl)c(Cl)c1 c1csc(c1)[*:1] N#CC(=C[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
CSc1ccccc1C(=O)NCCO OCC[*:1] CSc1ccccc1C(=O)N[*:1]
Cc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 Cc1nc([nH]c(=O)c1C)[*:1] Cc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)n(n1)[*:1]
Cc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)CC(c2ccccc2)[*:1])n(n1)-c1nc(C)c(C)c(=O)[nH]1
CC[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C(=O)N1CCOCC1 C1CC1[*:1] CC[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C(=O)N1CCOCC1 c1ccc(cc1)C[*:1] CC[C@H](NC(=O)N([C@H](C)C1CC1)[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)[*:1]
CC[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C(=O)N1CCOCC1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)N(C[*:1])[C@H](C)C1CC1)C(=O)N1CCOCC1
CC[C@H](NC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C(=O)N1CCOCC1 C[C@H](C1CC1)[*:1] CC[C@H](NC(=O)N(Cc1ccccc1)[*:1])C(=O)N1CCOCC1
CN[C@]1(C(=O)OC)CCC[C@H]1CC[NH+]1CCCCCCC1 COC(=O)[*:1] CN[C@@]1(CCC[C@H]1CC[NH+]1CCCCCCC1)[*:1]
O=C(Nc1cccc(CN2CCOCC2)c1)c1n[n-]c([N+](=O)[O-])c1Cl O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)CN1CCOCC1)c1n[n-]c(c1Cl)[*:1]
O=C(Nc1cccc(CN2CCOCC2)c1)c1n[n-]c([N+](=O)[O-])c1Cl C1CN(CCO1)C[*:1] O=C(Nc1cccc(c1)[*:1])c1n[n-]c(c1Cl)[N+](=O)[O-]
O=C(Nc1cccc(CN2CCOCC2)c1)c1n[n-]c([N+](=O)[O-])c1Cl C1CN(CCO1)[*:1] O=C(Nc1cccc(c1)C[*:1])c1n[n-]c(c1Cl)[N+](=O)[O-]
O=C(NCCCn1ccnc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] O=C([O-])[*:1] O=C(NCCCn1ccnc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
O=C(NCCCn1ccnc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] c1cn(cn1)CC[*:1] O=C(NC[*:1])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]
O=C(NCCCn1ccnc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] c1cn(cn1)C[*:1] O=C(NCC[*:1])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]
O=C(NCCCn1ccnc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] c1cn(cn1)[*:1] O=C(NCCC[*:1])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]
O=C1C[C@H](c2cccc(O)c2)[C@@H]2C(=O)N=C(SCc3ccc(F)cc3)N=C2N1 Fc1ccc(cc1)[*:1] O=C1C[C@H](c2cccc(O)c2)[C@@H]2C(=O)N=C(N=C2N1)SC[*:1]
O=C1C[C@H](c2cccc(O)c2)[C@@H]2C(=O)N=C(SCc3ccc(F)cc3)N=C2N1 Fc1ccc(cc1)C[*:1] O=C1C[C@H](c2cccc(O)c2)[C@@H]2C(=O)N=C(N=C2N1)S[*:1]
O=C1C[C@H](c2cccc(O)c2)[C@@H]2C(=O)N=C(SCc3ccc(F)cc3)N=C2N1 Oc1cccc(c1)[*:1] O=C1C[C@H]([C@@H]2C(=O)N=C(N=C2N1)SCc1ccc(F)cc1)[*:1]
C[C@@H](C(=O)N1CCC[C@@H]1Cn1cccn1)N1CC[NH+](C)CC1 c1cnn(c1)[*:1] C[C@@H](C(=O)N1CCC[C@@H]1C[*:1])N1CC[NH+](C)CC1
C[C@@H](C(=O)N1CCC[C@@H]1Cn1cccn1)N1CC[NH+](C)CC1 c1cnn(c1)C[*:1] C[C@@H](C(=O)N1CCC[C@H]1[*:1])N1CC[NH+](C)CC1
C[C@H](SCc1ccco1)C(=O)NC(=O)NCCc1cccs1 c1coc(c1)[*:1] C[C@H](SC[*:1])C(=O)NC(=O)NCCc1cccs1
C[C@H](SCc1ccco1)C(=O)NC(=O)NCCc1cccs1 c1coc(c1)CS[*:1] C[C@H](C(=O)NC(=O)NCCc1cccs1)[*:1]
C[C@H](SCc1ccco1)C(=O)NC(=O)NCCc1cccs1 c1csc(c1)C[*:1] C[C@H](SCc1ccco1)C(=O)NC(=O)NC[*:1]
C[C@H](SCc1ccco1)C(=O)NC(=O)NCCc1cccs1 c1csc(c1)[*:1] C[C@H](SCc1ccco1)C(=O)NC(=O)NCC[*:1]
C[C@H](SCc1ccco1)C(=O)NC(=O)NCCc1cccs1 c1csc(c1)CC[*:1] C[C@H](SCc1ccco1)C(=O)NC(=O)N[*:1]
C[C@H](SCc1ccco1)C(=O)NC(=O)NCCc1cccs1 c1coc(c1)C[*:1] C[C@H](S[*:1])C(=O)NC(=O)NCCc1cccs1
CSc1cccc(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 CSc1cccc(c1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
CSc1cccc(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 C(=C[*:1])c1ccccc1 CSc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CSc1cccc(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)C=C[*:1]
COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)c1 Cc1ccccc1[*:1] COc1cccc(c1)N1CCCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)c1 Cc1ccccc1C[*:1] COc1cccc(c1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)c1 COc1cccc(c1)[*:1] Cc1ccccc1Cn1c(=O)c2c(nc3N(CCCn32)[*:1])n(C)c1=O
O=C(Cc1ccccc1)C1=CN=C(C(=O)NCc2ccco2)C1 c1ccc(cc1)[*:1] O=C(C[*:1])C1=CN=C(C1)C(=O)NCc1ccco1
O=C(Cc1ccccc1)C1=CN=C(C(=O)NCc2ccco2)C1 c1coc(c1)[*:1] O=C(Cc1ccccc1)C1=CN=C(C1)C(=O)NC[*:1]
O=C(Cc1ccccc1)C1=CN=C(C(=O)NCc2ccco2)C1 c1ccc(cc1)C[*:1] O=C(NCc1ccco1)C1CC(=CN=1)C(=O)[*:1]
O=C(Cc1ccccc1)C1=CN=C(C(=O)NCc2ccco2)C1 c1coc(c1)C[*:1] O=C(Cc1ccccc1)C1=CN=C(C1)C(=O)N[*:1]
O=C(Cc1cccc(Br)c1)Nc1ccc([N+](=O)[O-])c(Cl)c1 Brc1cccc(c1)[*:1] O=C(C[*:1])Nc1ccc(c(Cl)c1)[N+](=O)[O-]
O=C(Cc1cccc(Br)c1)Nc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] O=C(Cc1cccc(Br)c1)Nc1ccc(c(Cl)c1)[*:1]
C[C@H]1C[C@@H]1NC(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)[*:1] C[C@H]1C[C@@H]1NC(=O)NCc1cccc(c1)C[*:1]
C[C@H]1C[C@@H]1NC(=O)NCc1cccc(Cn2ccnc2)c1 c1cn(cn1)C[*:1] C[C@H]1C[C@@H]1NC(=O)NCc1cccc(c1)[*:1]
CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(C(=O)NC)c2)C1 CNC(=O)[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)C(=O)c1cccc(c1)[*:1]
O=C1COc2ccccc2N1CCC(=O)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1COc2ccccc2N1CCC(=O)N1CCC[C@H]1C[*:1]
O=C1COc2ccccc2N1CCC(=O)N1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1COc2ccccc2N1CCC(=O)N1CCC[C@@H]1[*:1]
COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 COc1ccc(Cl)cc1[*:1] Cc1ccc(C)c(c1)N1C[C@@H](CC1=O)C(=O)OCC(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 Cc1ccc(C)c(c1)[*:1] COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] C[C@@H]1CCCN(CC1)C(=O)CCCNc1ccc(cc1)[*:1]
C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)N(C)C(C)C)C2=O Clc1cccc(c1)[*:1] C=CCN1C(=O)N[C@H](C2C(=O)N(CC(=O)N(C)C(C)C)CC=21)[*:1]
C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)N(C)C(C)C)C2=O CC(C)N(C)C(=O)[*:1] C=CCN1C(=O)N[C@@H](C2C(=O)N(CC=21)C[*:1])c1cccc(Cl)c1
C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)N(C)C(C)C)C2=O C=CC[*:1] CC(C)N(C)C(=O)CN1CC2=C(C1=O)[C@H](NC(=O)N2[*:1])c1cccc(Cl)c1
C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)N(C)C(C)C)C2=O CC(C)[*:1] C=CCN1C(=O)N[C@@H](C2C(=O)N(CC(=O)N(C)[*:1])CC=21)c1cccc(Cl)c1
C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1CN(CC(=O)N(C)C(C)C)C2=O CC(C)N(C)C(=O)C[*:1] C=CCN1C(=O)N[C@@H](C2C(=O)N(CC=21)[*:1])c1cccc(Cl)c1
O=C(Nc1ccccc1F)C(=Cc1csc(-c2ccsc2)n1)C(=O)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] O=C(Nc1ccccc1F)C(=Cc1csc(n1)-c1ccsc1)[*:1]
O=C(Nc1ccccc1F)C(=Cc1csc(-c2ccsc2)n1)C(=O)Nc1ccccc1F c1cc(cs1)[*:1] O=C(Nc1ccccc1F)C(=Cc1csc(n1)[*:1])C(=O)Nc1ccccc1F
O=C(Nc1ccccc1F)C(=Cc1csc(-c2ccsc2)n1)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Nc1ccccc1F)C(=Cc1csc(n1)-c1ccsc1)C(=O)N[*:1]
CC(C)c1nnnn1CC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(C)c1nnnn1CC(=O)Nc1ccc(cc1)CO[*:1]
CC(C)c1nnnn1CC(=O)Nc1ccc(COc2ccccc2)cc1 CC(C)c1nnnn1[*:1] O=C(C[*:1])Nc1ccc(cc1)COc1ccccc1
CC(C)c1nnnn1CC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)O[*:1] CC(C)c1nnnn1CC(=O)Nc1ccc(cc1)C[*:1]
CC(C)c1nnnn1CC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)OC[*:1] CC(C)c1nnnn1CC(=O)Nc1ccc(cc1)[*:1]
CC(C)c1nnnn1CC(=O)Nc1ccc(COc2ccccc2)cc1 CC(C)[*:1] O=C(Cn1nnnc1[*:1])Nc1ccc(cc1)COc1ccccc1
O=C1C[C@@H](C(=O)N(CC(F)F)C2CC2)CN1c1ccc2c(c1)OCCO2 FC(F)C[*:1] O=C1C[C@H](CN1c1ccc2OCCOc2c1)C(=O)N(C1CC1)[*:1]
O=C1C[C@@H](C(=O)N(CC(F)F)C2CC2)CN1c1ccc2c(c1)OCCO2 C1CC1[*:1] O=C1C[C@H](CN1c1ccc2OCCOc2c1)C(=O)N(CC(F)F)[*:1]
O=C1C[C@@H](C(=O)N(CC(F)F)C2CC2)CN1c1ccc2c(c1)OCCO2 FC(F)[*:1] O=C1C[C@H](CN1c1ccc2OCCOc2c1)C(=O)N(C[*:1])C1CC1
C=CCn1c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2sc3c(c2c1=O)CCCC3 C=CC[*:1] O=c1c2c3CCCCc3sc2nc(N2CC[NH+](CC2)Cc2ccc3OCOc3c2)n1[*:1]
C=CCn1c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2sc3c(c2c1=O)CCCC3 c1cc2OCOc2cc1C[*:1] C=CCn1c(nc2sc3CCCCc3c2c1=O)N1CC[NH+](CC1)[*:1]
C=CCn1c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2sc3c(c2c1=O)CCCC3 c1cc2OCOc2cc1[*:1] C=CCn1c(nc2sc3CCCCc3c2c1=O)N1CC[NH+](CC1)C[*:1]
Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H]3C[C@@H]3C3CCCCC3)c2)n[nH]1 C1CCC(CC1)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)NC(=O)C(=O)N[C@@H]1C[C@H]1[*:1]
Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H]3C[C@@H]3C3CCCCC3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N[C@@H]1C[C@@H]1C1CCCCC1
O=c1sc2c(n1Cc1nnc(-c3ccccc3F)o1)CCCC2 Fc1ccccc1[*:1] O=c1sc2CCCCc2n1Cc1nnc(o1)[*:1]
CN(C)c1cnn(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(=O)c1 CN(C)[*:1] O=c1cc(cnn1CCC[NH+]1CCN(CC1)c1cccc(Cl)c1)[*:1]
CN(C)c1cnn(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(=O)c1 Clc1cccc(c1)[*:1] CN(C)c1cnn(CCC[NH+]2CCN(CC2)[*:1])c(=O)c1
CC(C)COc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cnn(C)c1 CC(C)C[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1O[*:1])c1cnn(C)c1
CC(C)COc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cnn(C)c1 CC(C)CO[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1[*:1])c1cnn(C)c1
CC(C)COc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cnn(C)c1 CC(C)[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1OC[*:1])c1cnn(C)c1
CC(C)COc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC(C)COc1ccccc1NC(=O)C(=O)N[C@@H](C)[*:1]
O=C(COc1ccc(F)cc1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] Fc1ccc(cc1)O[*:1] O=C(C[*:1])NNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
O=C(COc1ccc(F)cc1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(COc1ccc(F)cc1)NNc1ccc(cc1[*:1])C(F)(F)F
O=C(COc1ccc(F)cc1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] O=C(CO[*:1])NNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
O=C(COc1ccc(F)cc1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] FC(F)(F)[*:1] O=C(COc1ccc(F)cc1)NNc1ccc(cc1[N+](=O)[O-])[*:1]
Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c(C)s1 O=C([O-])[*:1] Cc1cc(c(C)s1)S(=O)(=O)Nc1ccc(F)cc1[*:1]
Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c(C)s1 Cc1cc(c(C)s1)[*:1] O=C([O-])c1cc(F)ccc1NS(=O)(=O)[*:1]
O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cncnc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cncnc1)[*:1]
O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cncnc1)c1ccc(F)cc1 c1ncc(cn1)[*:1] O=C(N[C@H]1[C@H](O)[C@H](O)C[C@H]1[*:1])c1ccc(F)cc1
COc1cccc2cc(C(=O)NCC[C@H](O)c3cccs3)oc12 c1csc(c1)[*:1] COc1cccc2cc(oc12)C(=O)NCC[C@H](O)[*:1]
Cc1cccc(C[NH+](CCCc2nnc(C)o2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)C[NH+](CCCc1nnc(C)o1)[*:1]
Cc1cccc(C[NH+](CCCc2nnc(C)o2)C2CC2)c1 Cc1nnc(C[*:1])o1 Cc1cccc(c1)C[NH+](CC[*:1])C1CC1
Cc1cccc(C[NH+](CCCc2nnc(C)o2)C2CC2)c1 Cc1cccc(c1)[*:1] Cc1nnc(CCC[NH+](C[*:1])C2CC2)o1
Cc1cccc(C[NH+](CCCc2nnc(C)o2)C2CC2)c1 Cc1nnc(o1)[*:1] Cc1cccc(c1)C[NH+](CCC[*:1])C1CC1
COc1ccc([C@@H]2CCCCCN2C(=O)CSc2nnnn2C2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnnn1C1CCCC1)N1CCCCC[C@H]1[*:1]
COc1ccc([C@@H]2CCCCCN2C(=O)CSc2nnnn2C2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)[C@@H]1CCCCCN1C(=O)CSc1nnnn1[*:1]
CNC(=O)C1CCN(C(=O)c2ccccc2COC)CC1 CNC(=O)[*:1] COCc1ccccc1C(=O)N1CCC(CC1)[*:1]
CNC(=O)C1CCN(C(=O)c2ccccc2COC)CC1 COC[*:1] CNC(=O)C1CCN(CC1)C(=O)c1ccccc1[*:1]
CCC(CC)n1cc(C[NH2+]C(C)(C)C)c(C)n1 CC(C)(C)[*:1] CCC(CC)n1cc(C[NH2+][*:1])c(C)n1
CCC(CC)n1cc(C[NH2+]C(C)(C)C)c(C)n1 CCC(CC)[*:1] Cc1nn(cc1C[NH2+]C(C)(C)C)[*:1]
COc1ccc(CN2CCC[C@H]2c2nc(C)ncc2-c2onc(C)c2C)c(OC)c1 Cc1noc(c1C)[*:1] COc1ccc(CN2CCC[C@H]2c2nc(C)ncc2[*:1])c(c1)OC
COc1ccc(CN2CCC[C@H]2c2nc(C)ncc2-c2onc(C)c2C)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ncc(c(n1)[C@@H]1CCCN1C[*:1])-c1onc(C)c1C
C=C(Br)Cn1c[nH+]c(C)c1C C=C(Br)[*:1] Cc1[nH+]cn(C[*:1])c1C
N#CC1([C@@H](O)c2cccs2)CCCCCC1 c1csc(c1)[*:1] N#CC1(CCCCCC1)[C@@H](O)[*:1]
COc1cc2c(cc1OC)CN(C(=O)/C=C/c1ccc(C)cc1)CC2 Cc1ccc(cc1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)C=C[*:1]
Cc1cc2c(SCCC(=O)NCc3ccc(F)cc3)ncnc2s1 Fc1ccc(cc1)[*:1] Cc1cc2c(ncnc2s1)SCCC(=O)NC[*:1]
Cc1cc2c(SCCC(=O)NCc3ccc(F)cc3)ncnc2s1 Fc1ccc(cc1)C[*:1] Cc1cc2c(ncnc2s1)SCCC(=O)N[*:1]
C[NH2+][C@H](c1ccc(C)nc1)[C@H]1CN(C(C)C)CCO1 CC(C)[*:1] C[NH2+][C@H](c1ccc(C)nc1)[C@H]1CN(CCO1)[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)cc1 COc1ccccc1[*:1] O=C(/C=C/c1ccc(cc1)S(=O)(=O)N[*:1])Nc1ccc2CCCc2c1
COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)cc1 c1cc2CCCc2cc1[*:1] COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)N[*:1])cc1
CC(C)CC(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2F)CC1 CC(C)[*:1] C[C@H](C(=O)Nc1ccccc1F)N1CCN(CC1)C(=O)C[*:1]
CC(C)CC(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2F)CC1 CC(C)C[*:1] C[C@H](C(=O)Nc1ccccc1F)N1CCN(CC1)C(=O)[*:1]
CC(C)CC(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2F)CC1 Fc1ccccc1[*:1] CC(C)CC(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
CS(=O)(=O)Cc1ccc(C(=O)Nc2nc[nH]n2)cc1 CS(=O)(=O)[*:1] O=C(Nc1nc[nH]n1)c1ccc(cc1)C[*:1]
CS(=O)(=O)Cc1ccc(C(=O)Nc2nc[nH]n2)cc1 CS(=O)(=O)C[*:1] O=C(Nc1nc[nH]n1)c1ccc(cc1)[*:1]
CCCc1ccc(C(=O)N(Cc2ccsc2)Cc2ccccn2)cc1 CCC[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccsc1)Cc1ccccn1
CCCc1ccc(C(=O)N(Cc2ccsc2)Cc2ccccn2)cc1 c1cc(cs1)C[*:1] CCCc1ccc(cc1)C(=O)N(Cc1ccccn1)[*:1]
CCCc1ccc(C(=O)N(Cc2ccsc2)Cc2ccccn2)cc1 c1ccc(C[*:1])nc1 CCCc1ccc(cc1)C(=O)N(Cc1ccsc1)[*:1]
CCCc1ccc(C(=O)N(Cc2ccsc2)Cc2ccccn2)cc1 c1cc(cs1)[*:1] CCCc1ccc(cc1)C(=O)N(Cc1ccccn1)C[*:1]
CCCc1ccc(C(=O)N(Cc2ccsc2)Cc2ccccn2)cc1 c1ccc(nc1)[*:1] CCCc1ccc(cc1)C(=O)N(Cc1ccsc1)C[*:1]
Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 Cc1ccc(s1)[*:1] O=C(CCC(=O)[*:1])N1CCN(CC1)c1ccc(F)cc1
Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 Fc1ccc(cc1)[*:1] Cc1ccc(s1)C(=O)CCC(=O)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 Cc1ccc(s1)C(=O)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccc(F)cc1
Cc1cc2c(=O)n(Cc3cc([N+](=O)[O-])cc4c3OCOC4)cnc2s1 O=[N+]([O-])[*:1] Cc1cc2c(=O)n(cnc2s1)Cc1cc(cc2COCOc21)[*:1]
CCc1cc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c(O)cc1O Fc1ccc(cc1)[*:1] CCc1cc(c(O)cc1O)-c1n[nH]c(C)c1O[*:1]
CCc1cc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c(O)cc1O Fc1ccc(cc1)O[*:1] CCc1cc(c(O)cc1O)-c1n[nH]c(C)c1[*:1]
Cc1ccc(C(=O)NNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)o1 Cc1ccc(o1)[*:1] CC(C)[C@H](C(=O)NNC(=O)[*:1])c1cccc(Cl)c1
Cc1ccc(C(=O)NNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)o1 Clc1cccc(c1)[*:1] Cc1ccc(o1)C(=O)NNC(=O)[C@H](C(C)C)[*:1]
Cc1ccc(C(=O)NNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)o1 CC(C)[*:1] Cc1ccc(o1)C(=O)NNC(=O)[C@H](c1cccc(Cl)c1)[*:1]
CC/C=C/COC(=O)c1ccc2nncn2c1 CC/C=C/C[*:1] O=C(O[*:1])c1ccc2nncn2c1
CC/C=C/COC(=O)c1ccc2nncn2c1 CCC=C[*:1] O=C(OC[*:1])c1ccc2nncn2c1
CCc1noc2cc(-c3ccccc3)n(C)c(=O)c12 c1ccc(cc1)[*:1] CCc1noc2cc(n(C)c(=O)c12)[*:1]
C[C@H](O)[C@@H](C)[NH+](CCO)CCO C[C@H](O)[*:1] C[C@@H]([NH+](CCO)CCO)[*:1]
C[C@H](O)[C@@H](C)[NH+](CCO)CCO OCC[*:1] C[C@H](O)[C@@H](C)[NH+](CCO)[*:1]
O=C(NC[C@H](O)c1ccoc1)c1cccc(C(F)(F)F)c1 c1cc(co1)[*:1] O=C(NC[C@H](O)[*:1])c1cccc(c1)C(F)(F)F
O=C(NC[C@H](O)c1ccoc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NC[C@H](O)c1ccoc1)c1cccc(c1)[*:1]
C[C@H]1CO[C@H](C)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H]1CO[C@H](C)CN1C(=O)/C=C/c1ccccc1[*:1]
CC(C)NC(=O)C[C@@H](C)NC(=O)NCCC1=CCCCC1 CC(C)NC(=O)[*:1] C[C@H](C[*:1])NC(=O)NCCC1=CCCCC1
CC(C)NC(=O)C[C@@H](C)NC(=O)NCCC1=CCCCC1 CC(C)[*:1] C[C@H](CC(=O)N[*:1])NC(=O)NCCC1=CCCCC1
CC(C)NC(=O)C[C@@H](C)NC(=O)NCCC1=CCCCC1 CC(C)NC(=O)C[*:1] C[C@@H](NC(=O)NCCC1=CCCCC1)[*:1]
CN(C)[C@H](CNc1ncnc2ccc(F)cc12)c1cccs1 CN(C)[*:1] Fc1ccc2ncnc(NC[C@H](c3cccs3)[*:1])c2c1
CN(C)[C@H](CNc1ncnc2ccc(F)cc12)c1cccs1 c1csc(c1)[*:1] CN(C)[C@H](CNc1ncnc2ccc(F)cc12)[*:1]
O=S(=O)(/C=C/c1ccc(Br)cc1)NCc1ccco1 c1coc(c1)C[*:1] O=S(=O)(/C=C/c1ccc(Br)cc1)N[*:1]
O=S(=O)(/C=C/c1ccc(Br)cc1)NCc1ccco1 c1coc(c1)[*:1] O=S(=O)(/C=C/c1ccc(Br)cc1)NC[*:1]
O=C(CCc1ccsc1)NC[C@@](O)(c1ccccc1)C1CC1 c1cc(cs1)C[*:1] O=C(C[*:1])NC[C@@](O)(c1ccccc1)C1CC1
O=C(CCc1ccsc1)NC[C@@](O)(c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(CCc1ccsc1)NC[C@@](O)(C1CC1)[*:1]
O=C(CCc1ccsc1)NC[C@@](O)(c1ccccc1)C1CC1 c1cc(cs1)CC[*:1] O=C(NC[C@@](O)(c1ccccc1)C1CC1)[*:1]
O=C(CCc1ccsc1)NC[C@@](O)(c1ccccc1)C1CC1 c1cc(cs1)[*:1] O=C(CC[*:1])NC[C@@](O)(c1ccccc1)C1CC1
O=C(CCc1ccsc1)NC[C@@](O)(c1ccccc1)C1CC1 C1CC1[*:1] O=C(CCc1ccsc1)NC[C@@](O)(c1ccccc1)[*:1]
C[C@@H](NC(=O)c1cc(Br)ccc1I)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cc(Br)ccc1I)[*:1]
Cc1ccccc1OCC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccccc1OCC(=O)N[C@@H]1C[C@H](C)N(C1)[*:1]
Cc1ccccc1OCC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 Cc1ccccc1[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)CO[*:1]
Cc1ccccc1OCC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 Cc1ccccc1O[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)C[*:1]
Cc1cc(C)cc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 Cc1cc(C)cc(c1)[*:1] O=C(CCc1nc2sc3CCCc3c2c(=O)[nH]1)N[*:1]
CCOc1ncccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 CCO[*:1] O=C(c1cccnc1[*:1])N1CCC(CC1)c1nc2ccccc2s1
C=CC[n+]1c(N)c(C(=O)NCc2ccccc2)cc2c(=O)n3cccc(C)c3nc21 O=C(NCc1ccccc1)[*:1] C=CC[n+]1c(N)c(cc2c(=O)n3cccc(C)c3nc21)[*:1]
C=CC[n+]1c(N)c(C(=O)NCc2ccccc2)cc2c(=O)n3cccc(C)c3nc21 c1ccc(cc1)[*:1] C=CC[n+]1c(N)c(cc2c(=O)n3cccc(C)c3nc21)C(=O)NC[*:1]
C=CC[n+]1c(N)c(C(=O)NCc2ccccc2)cc2c(=O)n3cccc(C)c3nc21 C=CC[*:1] Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(N)[n+](c3nc12)[*:1]
C=CC[n+]1c(N)c(C(=O)NCc2ccccc2)cc2c(=O)n3cccc(C)c3nc21 c1ccc(cc1)C[*:1] C=CC[n+]1c(N)c(cc2c(=O)n3cccc(C)c3nc21)C(=O)N[*:1]
CCCc1nc2sc3c(c2c(=O)n1NC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)OC3 O=[N+]([O-])c1ccc(cc1)[*:1] CCCc1nc2sc3COC(C)(C)Cc3c2c(=O)n1NC(=O)[*:1]
CCCc1nc2sc3c(c2c(=O)n1NC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)OC3 O=[N+]([O-])[*:1] CCCc1nc2sc3COC(C)(C)Cc3c2c(=O)n1NC(=O)c1ccc(cc1)[*:1]
CCCc1nc2sc3c(c2c(=O)n1NC(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)OC3 CCC[*:1] CC1(C)Cc2c(CO1)sc1nc(n(NC(=O)c3ccc(cc3)[N+](=O)[O-])c(=O)c21)[*:1]
CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 c1ccc2sc(nc2c1)[*:1] CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(cc1)CS[*:1]
Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2cccnc2C)c1 Cc1ncccc1[*:1] Cc1cccc(c1)C(C)(C)CNC(=O)C(=O)N[*:1]
Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2cccnc2C)c1 Cc1cccc(c1)[*:1] Cc1ncccc1NC(=O)C(=O)NCC(C)(C)[*:1]
O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N(Cc1cccnc1)c1nc2ccccc2s1 c1csc(c1)[*:1] O=C([C@H]1CCCN1S(=O)(=O)[*:1])N(Cc1cccnc1)c1nc2ccccc2s1
O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N(Cc1cccnc1)c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N(Cc1cccnc1)[*:1]
O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N(Cc1cccnc1)c1nc2ccccc2s1 c1cncc(c1)[*:1] O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N(C[*:1])c1nc2ccccc2s1
O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N(Cc1cccnc1)c1nc2ccccc2s1 c1cncc(c1)C[*:1] O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N(c1nc2ccccc2s1)[*:1]
CCOC(=O)c1sc(C)c2c1N[C@](C)(c1ccccc1)NC2=O c1ccc(cc1)[*:1] CCOC(=O)c1sc(C)c2C(=O)N[C@@](C)(Nc12)[*:1]
CCOC(=O)c1sc(C)c2c1N[C@](C)(c1ccccc1)NC2=O CCOC(=O)[*:1] Cc1sc(c2N[C@@](C)(NC(=O)c12)c1ccccc1)[*:1]
COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4Cl)ncn3n2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)-c1cc2c(=O)n(CC(=O)NC[*:1])ncn2n1
COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4Cl)ncn3n2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1ncn2nc(cc2c1=O)[*:1])NCc1ccccc1Cl
COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4Cl)ncn3n2)cc1 Clc1ccccc1C[*:1] COc1ccc(cc1)-c1cc2c(=O)n(CC(=O)N[*:1])ncn2n1
CC(C)n1cncc1C[NH2+][C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 CC(C)[*:1] O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1[NH2+]Cc1cncn1[*:1]
CC(C)n1cncc1C[NH2+][C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 O=C([O-])[*:1] CC(C)n1cncc1C[NH2+][C@@H]1[C@@H]([C@H]2CC[C@@H]1C2)[*:1]
Cc1cn2c([nH+]1)[C@@H](CNCc1cnc(N(C)C)s1)CCC2 CN(C)[*:1] Cc1cn2CCC[C@H](CNCc3cnc(s3)[*:1])c2[nH+]1
N#Cc1cccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c1 c1cn2cc(nc2s1)[*:1] N#Cc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
N#Cc1cccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c1 N#Cc1cccc(c1)[*:1] O=C(Nc1cccc(c1)-c1cn2ccsc2n1)[*:1]
O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCO1)C1CCN(CC1)C(=O)[*:1]
C[C@H](C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)n1cncn1 FC(F)(F)[*:1] C[C@H](C(=O)N[C@H](C[*:1])c1ccc(F)cc1)n1cncn1
C[C@H](C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
C[C@H](C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)n1cncn1 Fc1ccc(cc1)[*:1] C[C@H](C(=O)N[C@H](CC(F)(F)F)[*:1])n1cncn1
C[C@H](C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)n1cncn1 FC(F)(F)C[*:1] C[C@H](C(=O)N[C@H](c1ccc(F)cc1)[*:1])n1cncn1
C[C@H](C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)n1cncn1 C[C@H](n1cncn1)[*:1] O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
O=C(C1CC1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 Clc1cccc(c1)[*:1] O=C(C1CC1)N(C[C@H]1CC(=NO1)c1cccc(F)c1)C[*:1]
O=C(C1CC1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 C1CC1[*:1] O=C(N(Cc1cccc(Cl)c1)C[C@H]1CC(=NO1)c1cccc(F)c1)[*:1]
O=C(C1CC1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] O=C(C1CC1)N(Cc1cccc(Cl)c1)C[C@H]1CC(=NO1)[*:1]
O=C(C1CC1)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 Clc1cccc(c1)C[*:1] O=C(C1CC1)N(C[C@H]1CC(=NO1)c1cccc(F)c1)[*:1]
O=C(Cn1cccn1)NC[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] O=C(Cn1cccn1)NC[*:1]
O=C(Cn1cccn1)NC[C@H]1CCOC1 c1cnn(c1)[*:1] O=C(C[*:1])NC[C@H]1CCOC1
COc1cccc(CNc2cncc(-n3ccnc3C)n2)c1OC Cc1nccn1[*:1] COc1cccc(CNc2cncc(n2)[*:1])c1OC
NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCC1(c2ccc(F)cc2)CC1 NC(=O)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1)N[C@H]1CCC[C@@H]1[*:1]
NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCC1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] NC(=O)[C@H]1CCC[C@@H]1NC(=O)NCC1(CC1)[*:1]
Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccnc(OC3CCC3)c1)CO2 C1CC(C1)[*:1] Cc1ccc2OC[C@H](NC(=O)NCc3ccnc(c3)O[*:1])c2c1
Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccnc(OC3CCC3)c1)CO2 C1CC(C1)O[*:1] Cc1ccc2OC[C@H](NC(=O)NCc3ccnc(c3)[*:1])c2c1
NC(=O)c1ccc(N[C@@H]2CCOC3(CCC3)C2)cc1 NC(=O)[*:1] c1cc(ccc1N[C@@H]1CCOC2(CCC2)C1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(Nc1ccc2OCOc2c1)[C@H]1CCCC[C@@H]1[*:1]
O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])[C@H]1CCCC[C@H]1c1nc2ccccc2s1
CCc1ccc(N2C[C@H](C(=O)NC[C@@H](c3cccs3)N(C)C)CC2=O)cc1 c1csc(c1)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[C@@H](N(C)C)[*:1]
CCc1ccc(N2C[C@H](C(=O)NC[C@@H](c3cccs3)N(C)C)CC2=O)cc1 CCc1ccc(cc1)[*:1] CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1cccs1
CCc1ccc(N2C[C@H](C(=O)NC[C@@H](c3cccs3)N(C)C)CC2=O)cc1 CN(C)[C@H](c1cccs1)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
CCc1ccc(N2C[C@H](C(=O)NC[C@@H](c3cccs3)N(C)C)CC2=O)cc1 CN(C)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[C@@H](c1cccs1)[*:1]
CCOC(=O)c1cc(CC)sc1NC(=O)c1ccco1 c1coc(c1)[*:1] CCOC(=O)c1cc(CC)sc1NC(=O)[*:1]
CCOC(=O)c1cc(CC)sc1NC(=O)c1ccco1 CCOC(=O)[*:1] CCc1cc(c(NC(=O)c2ccco2)s1)[*:1]
Cc1cncc(NC(=O)C(=O)NCCC2=CCCCC2)c1 Cc1cncc(c1)[*:1] O=C(NCCC1=CCCCC1)C(=O)N[*:1]
Cc1nc([C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)cc(=O)[nH]1 Cc1nc(cc(=O)[nH]1)[*:1] O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H](C1)[*:1]
Cc1nc([C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)cc(=O)[nH]1 c1ccc2[nH]c(nc2c1)[*:1] Cc1nc(cc(=O)[nH]1)[C@H]1CCCN(C1)C(=O)CC[*:1]
CS(=O)(=O)c1ccc(F)c(NC(=O)CCNC(=O)c2cccs2)c1 CS(=O)(=O)[*:1] O=C(CCNC(=O)c1cccs1)Nc1cc(ccc1F)[*:1]
CS(=O)(=O)c1ccc(F)c(NC(=O)CCNC(=O)c2cccs2)c1 c1csc(c1)[*:1] CS(=O)(=O)c1ccc(F)c(c1)NC(=O)CCNC(=O)[*:1]
CS(=O)(=O)c1ccc(F)c(NC(=O)CCNC(=O)c2cccs2)c1 O=C(N[*:1])c1cccs1 CS(=O)(=O)c1ccc(F)c(c1)NC(=O)CC[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1O)[N+](=O)[O-])c1ccccc1[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1O)[*:1])c1ccccc1[N+](=O)[O-]
O=C(Nc1ccc(NCc2cccc(Cl)c2)cc1)[C@@H]1CCCO1 Clc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)NC[*:1])[C@@H]1CCCO1
COc1ccc(Oc2cc(CN[C@@H](C)c3cccnc3)ccn2)cc1 COc1ccc(cc1)[*:1] C[C@H](NCc1ccnc(c1)O[*:1])c1cccnc1
COc1ccc(Oc2cc(CN[C@@H](C)c3cccnc3)ccn2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)Oc1cc(ccn1)CN[C@@H](C)[*:1]
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1c(Cl)cccc1Cl Clc1ccccc1[*:1] CC(C)N(Cc1nnc(o1)[*:1])C(=O)Cc1c(Cl)cccc1Cl
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1c(Cl)cccc1Cl Clc1cccc(Cl)c1[*:1] CC(C)N(Cc1nnc(o1)-c1ccccc1Cl)C(=O)C[*:1]
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1c(Cl)cccc1Cl CC(C)[*:1] O=C(Cc1c(Cl)cccc1Cl)N(Cc1nnc(o1)-c1ccccc1Cl)[*:1]
CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1c(Cl)cccc1Cl Clc1cccc(Cl)c1C[*:1] CC(C)N(Cc1nnc(o1)-c1ccccc1Cl)C(=O)[*:1]
CCOc1cccc(NC(=O)c2ccc(-c3cscn3)cc2)n1 CCO[*:1] O=C(Nc1cccc(n1)[*:1])c1ccc(cc1)-c1cscn1
CCOc1cccc(NC(=O)c2ccc(-c3cscn3)cc2)n1 c1nc(cs1)[*:1] CCOc1cccc(n1)NC(=O)c1ccc(cc1)[*:1]
Cc1occc1C(=O)Nc1nc(CC(=O)OCC2CCCCC2)cs1 C1CCC(CC1)[*:1] Cc1occc1C(=O)Nc1nc(cs1)CC(=O)OC[*:1]
Cc1occc1C(=O)Nc1nc(CC(=O)OCC2CCCCC2)cs1 C1CCC(CC1)C[*:1] Cc1occc1C(=O)Nc1nc(cs1)CC(=O)O[*:1]
Cc1occc1C(=O)Nc1nc(CC(=O)OCC2CCCCC2)cs1 Cc1occc1[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])OCC1CCCCC1
COc1ccccc1NC(=O)C1=CN(C)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)N=C12 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)C1=CN(C)[C@@H]2C(=O)N(C[*:1])C(=O)N=C12
COc1ccccc1NC(=O)C1=CN(C)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)N=C12 COc1ccccc1[*:1] CN1C=C(C(=O)N[*:1])C2=NC(=O)N(Cc3ccccc3)C(=O)[C@H]21
COc1ccccc1NC(=O)C1=CN(C)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)N=C12 c1ccc(cc1)C[*:1] COc1ccccc1NC(=O)C1=CN(C)[C@@H]2C(=O)N(C(=O)N=C12)[*:1]
CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 CCNS(=O)(=O)[*:1] CC(C)[C@H](C(=O)N1CC[C@@H](C1)[*:1])[NH+](C)C
CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 CC(C)[*:1] CCNS(=O)(=O)[C@H]1CCN(C1)C(=O)[C@@H]([NH+](C)C)[*:1]
CC(C)[C@@H](CS)CN1CC[NH+](CC2CC2)CC1 C1CC1[*:1] CC(C)[C@@H](CS)CN1CC[NH+](CC1)C[*:1]
CC(C)[C@@H](CS)CN1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] CC(C)[C@@H](CS)CN1CC[NH+](CC1)[*:1]
CC(C)[C@@H](CS)CN1CC[NH+](CC2CC2)CC1 CC(C)[*:1] SC[C@@H](CN1CC[NH+](CC1)CC1CC1)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 CC(=O)N[*:1] Cc1cc(n[nH]1)[C@H]1CCCN(C1)C(=O)[C@@H](C)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 CC(=O)N[C@H](C)[*:1] Cc1cc(n[nH]1)[C@H]1CCCN(C1)C(=O)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 Cc1cc(n[nH]1)[*:1] CC(=O)N[C@H](C)C(=O)N1CCC[C@H](C1)[*:1]
CCCNc1ncc(C[NH+](C)Cc2csc(C)n2)s1 CCC[*:1] Cc1nc(cs1)C[NH+](C)Cc1cnc(N[*:1])s1
CCCNc1ncc(C[NH+](C)Cc2csc(C)n2)s1 CCCN[*:1] Cc1nc(cs1)C[NH+](C)Cc1cnc(s1)[*:1]
CCCNc1ncc(C[NH+](C)Cc2csc(C)n2)s1 Cc1nc(cs1)[*:1] CCCNc1ncc(C[NH+](C)C[*:1])s1
Cc1[nH]ncc1CCCNC(=O)c1cnc([C@H]2CCCO2)s1 Cc1[nH]ncc1C[*:1] O=C(NCC[*:1])c1cnc(s1)[C@H]1CCCO1
Cc1[nH]ncc1CCCNC(=O)c1cnc([C@H]2CCCO2)s1 Cc1[nH]ncc1[*:1] O=C(NCCC[*:1])c1cnc(s1)[C@H]1CCCO1
Cc1noc(C)c1CSc1nnc(Cc2cccc(F)c2)o1 Fc1cccc(c1)[*:1] Cc1noc(C)c1CSc1nnc(C[*:1])o1
Cc1noc(C)c1CSc1nnc(Cc2cccc(F)c2)o1 Cc1noc(C)c1[*:1] Fc1cccc(c1)Cc1nnc(o1)SC[*:1]
COc1ccc(-c2cnn(CC(=O)Nc3ccccc3OC)c(=O)n2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1NC(=O)Cn1ncc(nc1=O)[*:1]
COc1ccc(-c2cnn(CC(=O)Nc3ccccc3OC)c(=O)n2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)-c1cnn(CC(=O)N[*:1])c(=O)n1
COc1cc(OC)nc(-n2nc(C)cc2C(=O)Nc2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] COc1cc(nc(n1)-n1nc(C)cc1C(=O)Nc1cccc(c1)[*:1])OC
CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1scnc1C1CC1 c1nc(c(s1)[*:1])C1CC1 CCN(C[C@@H]1COc2ccccc2O1)C(=O)[*:1]
CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1scnc1C1CC1 C1CC1[*:1] CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1scnc1[*:1]
CC(=O)c1ccc(OCC(=O)c2cnc(N3CCCCC3)s2)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])c1cnc(s1)N1CCCCC1
CC(=O)c1ccc(OCC(=O)c2cnc(N3CCCCC3)s2)cc1 C1CCN(CC1)[*:1] CC(=O)c1ccc(cc1)OCC(=O)c1cnc(s1)[*:1]
CCCNC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 CCCNC(=O)N[*:1] Fc1ccc(cc1)N1CCN(CC1)c1cc(cc[nH+]1)C[*:1]
CCCNC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 CCCNC(=O)NC[*:1] Fc1ccc(cc1)N1CCN(CC1)c1cc(cc[nH+]1)[*:1]
CCCNC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] CCCNC(=O)NCc1cc[nH+]c(c1)N1CCN(CC1)[*:1]
CCCNC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 CCC[*:1] O=C(NCc1cc[nH+]c(c1)N1CCN(CC1)c1ccc(F)cc1)N[*:1]
COC(=O)c1ccccc1Nc1cc(N)nc(-c2ccccc2F)n1 COC(=O)[*:1] Nc1cc(nc(n1)-c1ccccc1F)Nc1ccccc1[*:1]
COC(=O)c1ccccc1Nc1cc(N)nc(-c2ccccc2F)n1 Fc1ccccc1[*:1] COC(=O)c1ccccc1Nc1cc(N)nc(n1)[*:1]
Cc1cc(C)cc(C(=O)N[C@@H](CCc2ccccc2)c2ccc3c(c2)OCCCO3)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C(=O)N[C@@H](CC[*:1])c1ccc2OCCCOc2c1
Cc1cc(C)cc(C(=O)N[C@@H](CCc2ccccc2)c2ccc3c(c2)OCCCO3)c1 Cc1cc(C)cc(c1)[*:1] O=C(N[C@@H](CCc1ccccc1)c1ccc2OCCCOc2c1)[*:1]
Cc1cc(C)cc(C(=O)N[C@@H](CCc2ccccc2)c2ccc3c(c2)OCCCO3)c1 c1ccc(cc1)CC[*:1] Cc1cc(C)cc(c1)C(=O)N[C@@H](c1ccc2OCCCOc2c1)[*:1]
Cc1cc(C)cc(C(=O)N[C@@H](CCc2ccccc2)c2ccc3c(c2)OCCCO3)c1 c1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)C(=O)N[C@@H](C[*:1])c1ccc2OCCCOc2c1
COc1ccc(C[C@@]2(c3cccc(C)c3)NC(N)=NC2=O)cc1OC Cc1cccc(c1)[*:1] COc1ccc(cc1OC)C[C@]1(NC(N)=NC1=O)[*:1]
CC[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1CO CC[C@H](C)[*:1] O=C(N[C@@H]1CCCC[C@@H]1CO)N[*:1]
CC(C)(C)c1ccc(C(=O)NNc2cc(C#N)cc(Cl)n2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)(C)c1ccc(cc1[*:1])C(=O)NNc1cc(C#N)cc(Cl)n1
CC(C)(C)c1ccc(C(=O)NNc2cc(C#N)cc(Cl)n2)cc1[N+](=O)[O-] CC(C)(C)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(C)cc1 c1nnc2sc(nn12)[*:1] COc1ccc(cc1NC(=O)c1ccc(C)cc1)[*:1]
COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)[*:1])-c1nn2cnnc2s1
COc1ccccc1-c1noc(-c2ccc(N3CCCC3=O)cc2)n1 O=C1CCCN1[*:1] COc1ccccc1-c1noc(n1)-c1ccc(cc1)[*:1]
COc1ccccc1-c1noc(-c2ccc(N3CCCC3=O)cc2)n1 COc1ccccc1[*:1] O=C1CCCN1c1ccc(cc1)-c1nc(no1)[*:1]
Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccccc1Cn1cncn1 c1ncn(C[*:1])n1 Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccccc1[*:1]
Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccccc1Cn1cncn1 Cc1nn(C)c(C)c1[*:1] C[C@H](NC(=O)c1ccccc1Cn1cncn1)[*:1]
Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccccc1Cn1cncn1 c1ncn(n1)[*:1] Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccccc1C[*:1]
CCOC(=O)[C@H](Cl)NNc1ccccc1[N+](=O)[O-] CCOC(=O)[*:1] O=[N+]([O-])c1ccccc1NN[C@@H](Cl)[*:1]
CCOC(=O)[C@H](Cl)NNc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOC(=O)[C@H](Cl)NNc1ccccc1[*:1]
C[C@](O)(CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1cccs1 c1csc(c1)[*:1] C[C@]12CCC(=O)N1[C@H](CS2)C(=O)NC[C@](C)(O)[*:1]
Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 Cc1cc(C)cc(c1)[*:1] O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc21)N[*:1]
Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 Cc1cc(C)cc(c1)NC(=O)[*:1] O=C(OC[*:1])c1cccc(c1)S(=O)(=O)N1CCc2ccccc21
CC(C)c1nc(Cl)nn1-c1ccccc1 CC(C)[*:1] Clc1nc(n(n1)-c1ccccc1)[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 CS(=O)(=O)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)Nc1cnn(c1)-c1ccccc1[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2=O)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2=O)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccco1
CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CC(C)(C)C)cc1 CC(C)(C)C[*:1] CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(cc1)NC(=O)[*:1]
CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CC(C)(C)C)cc1 CC(C)(C)[*:1] CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(cc1)NC(=O)C[*:1]
CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CC(C)(C)C)cc1 CCO[*:1] CC(C)(C)CC(=O)Nc1ccc(cc1)[C@H]1SCC(=O)N1c1ccccc1[*:1]
CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CC(C)(C)C)cc1 CCOc1ccccc1[*:1] CC(C)(C)CC(=O)Nc1ccc(cc1)[C@H]1SCC(=O)N1[*:1]
CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)CC(C)(C)C)cc1 CC(C)(C)CC(=O)N[*:1] CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(cc1)[*:1]
CN1C(=O)C[C@@H]([NH2+]C2CCN(C(N)=O)CC2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H]([NH2+]C2CCN(CC2)C(N)=O)[C@H]1[*:1]
CC[C@H](C)[NH2+]C1CCN(C[C@@H](O)COC)CC1 COC[*:1] CC[C@H](C)[NH2+]C1CCN(CC1)C[C@@H](O)[*:1]
CC[C@H](C)[NH2+]C1CCN(C[C@@H](O)COC)CC1 COC[C@H](O)[*:1] CC[C@H](C)[NH2+]C1CCN(CC1)C[*:1]
CCc1nc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)no1 CCc1nc(no1)[*:1] Cc1ccc(cc1C)NC(=O)c1ccc(cc1)[*:1]
CCc1nc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)no1 Cc1ccc(cc1C)[*:1] CCc1nc(no1)-c1ccc(cc1)C(=O)N[*:1]
O=S1(=O)CCC[C@H]1C[NH2+]Cc1csc(-c2ccccn2)n1 c1ccc(nc1)[*:1] O=S1(=O)CCC[C@H]1C[NH2+]Cc1csc(n1)[*:1]
CN[C@@H]1C(=O)Nc2cc(Sc3cnn(C)c3)c(Cl)cc21 Cn1cc(cn1)[*:1] CN[C@@H]1C(=O)Nc2cc(S[*:1])c(Cl)cc21
CCc1ncc(CC(=O)[O-])c(=O)[nH]1 O=C([O-])C[*:1] CCc1ncc(c(=O)[nH]1)[*:1]
CCc1ncc(CC(=O)[O-])c(=O)[nH]1 O=C([O-])[*:1] CCc1ncc(C[*:1])c(=O)[nH]1
S=C(NCc1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 c1csc(c1)[*:1] S=C(NC[*:1])N1CCC[C@@H]1c1nc2ccccc2s1
S=C(NCc1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 c1csc(c1)C[*:1] S=C(N[*:1])N1CCC[C@@H]1c1nc2ccccc2s1
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2Cl)N1c1nccs1
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] O=C1C([O-])=C([C@H](c2ccccc2Cl)N1c1nccs1)[*:1]
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 c1csc(n1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccccc1Cl)[*:1])c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1 Clc1ccccc1[*:1] O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1[*:1])c1ccc(Cl)cc1
CC1(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)CCCC1 CC1(CCCC1)[*:1] O=C(Nc1cccc(c1)-c1nnc2CCCCCn21)[*:1]
C[C@H](CS(C)(=O)=O)N(C)C(=O)COc1ccc(Br)cc1 CS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)C(=O)COc1ccc(Br)cc1
C[C@H](CS(C)(=O)=O)N(C)C(=O)COc1ccc(Br)cc1 CS(=O)(=O)C[*:1] C[C@H](N(C)C(=O)COc1ccc(Br)cc1)[*:1]
COc1cc(=O)c(C(=O)NCc2ccncc2)nn1-c1ccc(C)cc1 c1cc(ccn1)[*:1] COc1cc(=O)c(nn1-c1ccc(C)cc1)C(=O)NC[*:1]
COc1cc(=O)c(C(=O)NCc2ccncc2)nn1-c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1cc(=O)c(nn1[*:1])C(=O)NCc1ccncc1
COc1cc(=O)c(C(=O)NCc2ccncc2)nn1-c1ccc(C)cc1 c1cc(ccn1)C[*:1] COc1cc(=O)c(nn1-c1ccc(C)cc1)C(=O)N[*:1]
Cc1ccnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccnc(c1)NC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1ccnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c1 Cc1ccnc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN1S(=O)(=O)c1ccccc1
CCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 CCC[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N[C@@H](C(=O)N1CCc2sccc2C1)[*:1]
CCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 O=[N+]([O-])c1ccc(cc1)[*:1] CCC[C@@H](NC(=O)C[*:1])C(=O)N1CCc2sccc2C1
CCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 O=[N+]([O-])[*:1] CCC[C@@H](NC(=O)Cc1ccc(cc1)[*:1])C(=O)N1CCc2sccc2C1
O=C([O-])[C@H](CCc1cccnc1)c1cccc(Br)c1 O=C([O-])[*:1] Brc1cccc(c1)[C@@H](CCc1cccnc1)[*:1]
O=C([O-])[C@H](CCc1cccnc1)c1cccc(Br)c1 c1cncc(c1)[*:1] O=C([O-])[C@H](CC[*:1])c1cccc(Br)c1
COc1cc(/C=C/C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC FC(F)(F)[*:1] COc1cc(/C=C/C(=O)Nc2ccc(Cl)c(c2)[*:1])cc(OC)c1OC
CC(C)(C)N1C[C@@H](C(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)CC1=O CC(C)(C)[*:1] O=C(Nc1cc(ccc1Cl)[N+](=O)[O-])C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)(C)N1C[C@@H](C(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)CC1=O O=[N+]([O-])c1ccc(Cl)c(c1)[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)(C)N1C[C@@H](C(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)CC1=O O=[N+]([O-])[*:1] CC(C)(C)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)Nc1cc(ccc1Cl)[*:1]
CSCC(=O)[C@@H]1CCO[C@@]2(CCOC2)C1 CSC[*:1] O=C([C@@H]1CCO[C@@]2(CCOC2)C1)[*:1]
CSCC(=O)[C@@H]1CCO[C@@]2(CCOC2)C1 CSCC(=O)[*:1] C1C[C@@]2(CO1)C[C@@H](CCO2)[*:1]
CC1(C)C[C@@]2(C[C@@H](c3ccc(Cl)cc3)c3ccc(O)cc3O2)NC(=S)N1 Clc1ccc(cc1)[*:1] CC1(C)C[C@@]2(C[C@@H](c3ccc(O)cc3O2)[*:1])NC(=S)N1
O=C1N=C(O)[C@H](/C=N/CC[NH+]2CCCCC2)C(=O)N1c1ccccc1F Fc1ccccc1[*:1] O=C1N=C(O)[C@H](/C=N/CC[NH+]2CCCCC2)C(=O)N1[*:1]
O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(CCC(F)(F)F)C1CCCC1 Fc1cccc(F)c1[*:1] O=C([C@@H]1C[C@H]1[*:1])N(CCC(F)(F)F)C1CCCC1
O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)C[*:1] O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(C[*:1])C1CCCC1
O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)[*:1] O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(CC[*:1])C1CCCC1
O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(CCC(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(CCC(F)(F)F)[*:1]
O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(CCC(F)(F)F)C1CCCC1 FC(F)(F)CC[*:1] O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N(C1CCCC1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)NCC(=O)N(C)C CN(C)C(=O)C[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)N[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)NCC(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)NC[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)NCC(=O)N(C)C c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)NCC(=O)N(C)C
C[C@@H](Cc1cccs1)N(C)C(=O)NCC(=O)N(C)C c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)NCC(=O)N(C)C)[*:1]
O=C(NCc1nnc2ccc(C(F)(F)F)cn12)C1CCN(C(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(NCc1nnc2ccc(cn12)C(F)(F)F)C1CCN(CC1)C(=O)[*:1]
O=C(NCc1nnc2ccc(C(F)(F)F)cn12)C1CCN(C(=O)c2cccs2)CC1 FC(F)(F)[*:1] O=C(NCc1nnc2ccc(cn12)[*:1])C1CCN(CC1)C(=O)c1cccs1
CCCCN(Cc1ccccc1C)C(=O)CNC(=O)N(C)C CCCC[*:1] Cc1ccccc1CN(C(=O)CNC(=O)N(C)C)[*:1]
CCCCN(Cc1ccccc1C)C(=O)CNC(=O)N(C)C CCC[*:1] Cc1ccccc1CN(C[*:1])C(=O)CNC(=O)N(C)C
CCCCN(Cc1ccccc1C)C(=O)CNC(=O)N(C)C CN(C)C(=O)NC[*:1] CCCCN(Cc1ccccc1C)C(=O)[*:1]
CCCCN(Cc1ccccc1C)C(=O)CNC(=O)N(C)C CN(C)C(=O)N[*:1] CCCCN(Cc1ccccc1C)C(=O)C[*:1]
CCCCN(Cc1ccccc1C)C(=O)CNC(=O)N(C)C Cc1ccccc1[*:1] CCCCN(C[*:1])C(=O)CNC(=O)N(C)C
NC(=O)[C@H](c1ccccc1)N1CCC[C@H](c2noc(C3CC3)n2)C1 NC(=O)[*:1] c1ccc(cc1)[C@H](N1CCC[C@@H](C1)c1noc(n1)C1CC1)[*:1]
NC(=O)[C@H](c1ccccc1)N1CCC[C@H](c2noc(C3CC3)n2)C1 C1CC1c1nc(no1)[*:1] NC(=O)[C@H](c1ccccc1)N1CCC[C@H](C1)[*:1]
NC(=O)[C@H](c1ccccc1)N1CCC[C@H](c2noc(C3CC3)n2)C1 C1CC1[*:1] NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](C1)c1noc(n1)[*:1]
NC(=O)[C@H](c1ccccc1)N1CCC[C@H](c2noc(C3CC3)n2)C1 c1ccc(cc1)[*:1] NC(=O)[C@H](N1CCC[C@@H](C1)c1noc(n1)C1CC1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2cn(CC(C)C)c3ccccc23)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1cn(C[*:1])c2ccccc12
CC(=O)Nc1ccc(NC(=O)c2cn(CC(C)C)c3ccccc23)cc1 CC(C)C[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1cn(c2ccccc12)[*:1]
CC(=O)Nc1ccc(NC(=O)c2cn(CC(C)C)c3ccccc23)cc1 CC(=O)N[*:1] CC(C)Cn1cc(C(=O)Nc2ccc(cc2)[*:1])c2ccccc21
CON(C)C(=O)c1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 CON(C)C(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
Cc1nc(-c2cc3c(s2)CCN(C(=O)c2c[nH+]cc([O-])c2)C3)cs1 Cc1nc(cs1)[*:1] O=C(c1c[nH+]cc([O-])c1)N1CCc2sc(cc2C1)[*:1]
NC(=O)C1(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CCOCC1 NC(=O)[*:1] Clc1ccc(OC2CCCC2)c(c1)C[NH2+]CC1(CCOCC1)[*:1]
NC(=O)C1(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CCOCC1 C1CCC(C1)O[*:1] NC(=O)C1(CCOCC1)C[NH2+]Cc1cc(Cl)ccc1[*:1]
NC(=O)C1(C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CCOCC1 C1CCC(C1)[*:1] NC(=O)C1(CCOCC1)C[NH2+]Cc1cc(Cl)ccc1O[*:1]
Cc1sc(=O)n(CCC(=O)NCCCc2n[nH]c(=O)[nH]2)c1C O=c1[nH]nc(C[*:1])[nH]1 Cc1sc(=O)n(CCC(=O)NCC[*:1])c1C
Cc1sc(=O)n(CCC(=O)NCCCc2n[nH]c(=O)[nH]2)c1C O=c1[nH]nc([nH]1)[*:1] Cc1sc(=O)n(CCC(=O)NCCC[*:1])c1C
Cc1ccc2nc(S[C@H](C(=O)NC3CCCC3)c3ccccc3)[nH]c2c1 c1ccc(cc1)[*:1] Cc1ccc2nc([nH]c2c1)S[C@H](C(=O)NC1CCCC1)[*:1]
Cc1ccc2nc(S[C@H](C(=O)NC3CCCC3)c3ccccc3)[nH]c2c1 C1CCC(C1)[*:1] Cc1ccc2nc([nH]c2c1)S[C@H](C(=O)N[*:1])c1ccccc1
Cc1ccc2nc(S[C@H](C(=O)NC3CCCC3)c3ccccc3)[nH]c2c1 O=C(NC1CCCC1)[*:1] Cc1ccc2nc([nH]c2c1)S[C@H](c1ccccc1)[*:1]
Cc1ccnc2nc(C(=O)Nc3ccc(-n4cccn4)nc3)nn12 c1cnn(c1)[*:1] Cc1ccnc2nc(nn12)C(=O)Nc1ccc(nc1)[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(C3CC3)n2C)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)CSc1nnc(C2CC2)n1C
Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(C3CC3)n2C)cc1 C1CC1[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)CSc1nnc(n1C)[*:1]
O=C(C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCCO2 Clc1ccc(cc1Cl)[*:1] O=C(C[C@H]1C(=O)NCCN1C(=O)N[*:1])Nc1ccc2OCCOc2c1
O=C(C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)c(Cl)c1)N[*:1]
COc1cccc(C(=O)/C=C(/Nc2cc(C)c(C)cc2[N+](=O)[O-])C(=O)[O-])c1 COc1cccc(c1)[*:1] Cc1cc(N/C(=C/C(=O)[*:1])C(=O)[O-])c(cc1C)[N+](=O)[O-]
COc1cccc(C(=O)/C=C(/Nc2cc(C)c(C)cc2[N+](=O)[O-])C(=O)[O-])c1 O=[N+]([O-])[*:1] COc1cccc(c1)C(=O)/C=C(/Nc1cc(C)c(C)cc1[*:1])C(=O)[O-]
COc1cccc(C(=O)/C=C(/Nc2cc(C)c(C)cc2[N+](=O)[O-])C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)C(=O)/C=C(/Nc1cc(C)c(C)cc1[N+](=O)[O-])[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccnc1N1CCCCC1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1F)[*:1])c1cccnc1N1CCCCC1
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccnc1N1CCCCC1 C1CCN(CC1)[*:1] O=C(Nc1cc(ccc1F)[N+](=O)[O-])c1cccnc1[*:1]
OCCC#Cc1cscc1Br OCC[*:1] Brc1cscc1C#C[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cccnc2)CC1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCN(CC1)C(=O)c1cccnc1
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
C=CCC[C@@]1(CCC)CCC[NH2+]1 CCC[*:1] C=CCC[C@]1(CCC[NH2+]1)[*:1]
C=CCC[C@@]1(CCC)CCC[NH2+]1 C=CCC[*:1] CCC[C@]1(CCC[NH2+]1)[*:1]
C=CCC[C@@]1(CCC)CCC[NH2+]1 C=CC[*:1] CCC[C@@]1(CCC[NH2+]1)C[*:1]
Cc1ccc(C(=O)N(C)Cc2ccncc2)c(F)c1 c1cc(ccn1)[*:1] Cc1ccc(C(=O)N(C)C[*:1])c(F)c1
O=C(N[C@@H]1CC=CCC1)N1CCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CC=CCC1)N1CCC[C@@H]1[*:1]
Cc1nc(N)sc1-c1cc(-c2cc(C(C)(C)C)[nH]n2)c(C#N)c(N)n1 CC(C)(C)[*:1] Cc1nc(N)sc1-c1cc(-c2cc([nH]n2)[*:1])c(C#N)c(N)n1
Cc1nc(N)sc1-c1cc(-c2cc(C(C)(C)C)[nH]n2)c(C#N)c(N)n1 Cc1nc(N)sc1[*:1] CC(C)(C)c1cc(n[nH]1)-c1cc(nc(N)c1C#N)[*:1]
CC(C)C[C@@H](C)OC(=O)c1cc(C(C)C)nn1C CC(C)[*:1] CC(C)c1cc(C(=O)O[C@H](C)C[*:1])n(C)n1
CC(C)C[C@@H](C)OC(=O)c1cc(C(C)C)nn1C CC(C)C[*:1] CC(C)c1cc(C(=O)O[C@H](C)[*:1])n(C)n1
CC(C)C[C@@H](C)OC(=O)c1cc(C(C)C)nn1C CC(C)C[C@@H](C)[*:1] CC(C)c1cc(C(=O)O[*:1])n(C)n1
CC(C)C[C@@H](C)OC(=O)c1cc(C(C)C)nn1C CC(C)[*:1] CC(C)C[C@@H](C)OC(=O)c1cc(nn1C)[*:1]
Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(Br)c1 O=C(N[*:1])c1ccccc1 Cc1ccc(NC(=O)C[C@H](c2ccccc2)[*:1])c(Br)c1
Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(Br)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C[C@H](NC(=O)[*:1])c2ccccc2)c(Br)c1
Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[*:1]
Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(Br)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)[*:1])c(Br)c1
CCOc1ccccc1OCc1cccc(NC)n1 CCO[*:1] CNc1cccc(COc2ccccc2[*:1])n1
O=C(COc1cccc(Br)c1)OCc1cc(=O)n2ccsc2n1 Brc1cccc(c1)[*:1] O=C(CO[*:1])OCc1cc(=O)n2ccsc2n1
CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc(C#N)cc2C(F)(F)F)O1 CN(C)C(=O)[*:1] N#Cc1ccc(NC[C@@H]2CC[C@H](O2)[*:1])c(c1)C(F)(F)F
CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc(C#N)cc2C(F)(F)F)O1 FC(F)(F)[*:1] CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc(C#N)cc2[*:1])O1
COc1cccc(CNC(=O)c2ccc(-n3ccnn3)cc2)n1 c1cn(nn1)[*:1] COc1cccc(CNC(=O)c2ccc(cc2)[*:1])n1
C[NH+](C)[C@@H](CNC(=O)c1ccnc(OC(C)(C)C)c1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccnc(c1)OC(C)(C)C)[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccnc(OC(C)(C)C)c1)c1ccco1 CC(C)(C)O[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccnc(c1)[*:1])c1ccco1
C[NH+](C)[C@@H](CNC(=O)c1ccnc(OC(C)(C)C)c1)c1ccco1 CC(C)(C)[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccnc(c1)O[*:1])c1ccco1
COc1cc[nH+]c(NC2CCN(C(=O)OCC(C)C)CC2)c1 CC(C)[*:1] COc1cc[nH+]c(c1)NC1CCN(CC1)C(=O)OC[*:1]
COc1cc[nH+]c(NC2CCN(C(=O)OCC(C)C)CC2)c1 CC(C)C[*:1] COc1cc[nH+]c(c1)NC1CCN(CC1)C(=O)O[*:1]
COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)c2cccnc2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)OC[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)[*:1]
COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)c2cccnc2)cc1 COc1ccc(cc1)[*:1] O=C(c1cccnc1)N1[C@H]2CC[C@H](C2)[C@@H]1CO[*:1]
Cc1ccc([C@@H]2CC(=O)N=C(SCC(=O)Nc3cccc4ccccc34)[C@H]2C#N)cc1 Cc1ccc(cc1)[*:1] N#C[C@@H]1C(=NC(=O)C[C@H]1[*:1])SCC(=O)Nc1cccc2ccccc12
Cc1ccc([C@@H]2CC(=O)N=C(SCC(=O)Nc3cccc4ccccc34)[C@H]2C#N)cc1 c1ccc2c(cccc2c1)[*:1] Cc1ccc(cc1)[C@@H]1CC(=O)N=C(SCC(=O)N[*:1])[C@H]1C#N
CN(C)C(=O)c1cccc(NC(=O)N(C)Cc2ccc(Cl)nc2)c1 Clc1ccc(cn1)[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)N(C)C[*:1]
CN(C)C(=O)c1cccc(NC(=O)N(C)Cc2ccc(Cl)nc2)c1 CN(C)C(=O)[*:1] CN(Cc1ccc(Cl)nc1)C(=O)Nc1cccc(c1)[*:1]
CN(C)C(=O)c1cccc(NC(=O)N(C)Cc2ccc(Cl)nc2)c1 Clc1ccc(cn1)C[*:1] CN(C)C(=O)c1cccc(c1)NC(=O)N(C)[*:1]
CC(C)n1nnnc1-c1cccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CC(C)n1nnnc1-c1cccc(c1)C(=O)NCc1nc2ccccc2n1[*:1]
CC(C)n1nnnc1-c1cccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)c1 CC(C)n1nnnc1[*:1] O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1cccc(c1)[*:1]
CC(C)n1nnnc1-c1cccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)c1 CC(C)[*:1] O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1cccc(c1)-c1nnnn1[*:1]
CC(C)n1nnnc1-c1cccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)n1nnnc1-c1cccc(c1)C(=O)NCc1nc2ccccc2n1C[*:1]
CCCNc1cc[nH+]c(Cn2c(=O)oc3ccccc32)c1 CCC[*:1] O=c1oc2ccccc2n1Cc1cc(cc[nH+]1)N[*:1]
CCCNc1cc[nH+]c(Cn2c(=O)oc3ccccc32)c1 CCCN[*:1] O=c1oc2ccccc2n1Cc1cc(cc[nH+]1)[*:1]
C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] C[C@H](Oc1ccccc1)C(=O)N1CCC[C@H]1[*:1]
C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H]1CN1CCOCC1 c1ccc(cc1)O[*:1] C[C@H](C(=O)N1CCC[C@@H]1CN1CCOCC1)[*:1]
C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H]1C[*:1]
C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H]1CN1CCOCC1 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCC[C@@H]1CN1CCOCC1
COC(=O)c1sccc1S(=O)(=O)N(C)[C@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)c1sccc1S(=O)(=O)N(C)[C@H](C)[*:1]
COC(=O)c1sccc1S(=O)(=O)N(C)[C@H](C)c1cccc(Cl)c1 COC(=O)[*:1] C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)c1ccsc1[*:1]
NC(=O)CONC(=O)c1cc(Br)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)CONC(=O)c1cc(Br)cc(c1)[*:1]
NC(=O)CONC(=O)c1cc(Br)cc([N+](=O)[O-])c1 NC(=O)[*:1] O=C(NOC[*:1])c1cc(Br)cc(c1)[N+](=O)[O-]
NC(=O)CONC(=O)c1cc(Br)cc([N+](=O)[O-])c1 NC(=O)C[*:1] O=C(NO[*:1])c1cc(Br)cc(c1)[N+](=O)[O-]
Cc1nc(S(=O)(=O)NCC2(c3ccccc3)CCCCC2)cn1C Cc1nc(cn1C)[*:1] O=S(=O)(NCC1(CCCCC1)c1ccccc1)[*:1]
Cc1nc(S(=O)(=O)NCC2(c3ccccc3)CCCCC2)cn1C c1ccc(cc1)[*:1] Cc1nc(cn1C)S(=O)(=O)NCC1(CCCCC1)[*:1]
CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccon1 CC(C)[*:1] O=C(C[C@@H]1CSc2nc(cc(=O)n21)[*:1])Nc1ccon1
CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccon1 c1cc(no1)[*:1] CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N[*:1]
Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])[C@@H]4C=C[C@H]3C4)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1nc(cs1)[*:1]
Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])[C@@H]4C=C[C@H]3C4)n2)c(C)c1 O=C([O-])[*:1] Cc1ccc(-c2csc(n2)NC(=O)[C@@H]2[C@@H]([C@@H]3C=C[C@H]2C3)[*:1])c(C)c1
CCOC(=O)c1[nH]ncc1CN1CCC[C@@H](c2nncn2C)C1 CCOC(=O)[*:1] Cn1cnnc1[C@@H]1CCCN(Cc2cn[nH]c2[*:1])C1
CCOC(=O)c1[nH]ncc1CN1CCC[C@@H](c2nncn2C)C1 Cn1cnnc1[*:1] CCOC(=O)c1[nH]ncc1CN1CCC[C@@H](C1)[*:1]
Cc1nnc2ccc(Nc3ccc(CCS(C)(=O)=O)cc3)nn12 CS(=O)(=O)[*:1] Cc1nnc2ccc(nn12)Nc1ccc(cc1)CC[*:1]
Cc1nnc2ccc(Nc3ccc(CCS(C)(=O)=O)cc3)nn12 CS(=O)(=O)CC[*:1] Cc1nnc2ccc(nn12)Nc1ccc(cc1)[*:1]
Cc1nnc2ccc(Nc3ccc(CCS(C)(=O)=O)cc3)nn12 CS(=O)(=O)C[*:1] Cc1nnc2ccc(nn12)Nc1ccc(cc1)C[*:1]
COC(=O)c1cccc(N2CCC(c3nc4ccccc4[nH]3)CC2)n1 COC(=O)[*:1] c1cc(nc(c1)[*:1])N1CCC(CC1)c1nc2ccccc2[nH]1
COC(=O)c1ccc(OC(=O)c2cc(C)cc(C)c2)cc1 COC(=O)[*:1] Cc1cc(C)cc(c1)C(=O)Oc1ccc(cc1)[*:1]
CC[C@@H](NC(=O)N[C@H](C)c1ccc(OC)c(OC)c1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC[C@@H](NC(=O)N[C@H](C)c1ccc(OC)c(c1)OC)[*:1]
COCC[NH2+]C[C@H](O)c1ccc(OC)c2ccccc12 COCC[*:1] COc1ccc(c2ccccc12)[C@@H](O)C[NH2+][*:1]
COCC[NH2+]C[C@H](O)c1ccc(OC)c2ccccc12 COC[*:1] COc1ccc(c2ccccc12)[C@@H](O)C[NH2+]C[*:1]
CCN(CC(F)(F)F)CC(C)(C)[C@H](C)O C[C@H](O)[*:1] CCN(CC(F)(F)F)CC(C)(C)[*:1]
CCN(CC(F)(F)F)CC(C)(C)[C@H](C)O FC(F)(F)C[*:1] CCN(CC(C)(C)[C@H](C)O)[*:1]
CCN(CC(F)(F)F)CC(C)(C)[C@H](C)O FC(F)(F)[*:1] CCN(CC(C)(C)[C@H](C)O)C[*:1]
CCNC(=O)CNC(=O)C[C@@H](C)c1cccc(OC)c1 CCNC(=O)[*:1] COc1cccc(c1)[C@H](C)CC(=O)NC[*:1]
CCNC(=O)CNC(=O)C[C@@H](C)c1cccc(OC)c1 CCNC(=O)C[*:1] COc1cccc(c1)[C@H](C)CC(=O)N[*:1]
CC(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2F)C1=O CC(C)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(F)cc1F
CC(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2F)C1=O CC(C)NC(=O)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccc(F)cc1F
CC(C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2F)C1=O CC(C)NC(=O)C[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])c1ccc(F)cc1F
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CCC(=O)[O-])c(C)c1 O=C([O-])C[*:1] Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[*:1])c(C)c1
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CCC(=O)[O-])c(C)c1 O=C([O-])[*:1] Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CC[*:1])c(C)c1
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CCC(=O)[O-])c(C)c1 O=C([O-])CC[*:1] Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)[*:1])c(C)c1
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CCC(=O)[O-])c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C([O-])CCC(=O)N1CCNC(=O)[C@@H]1CC(=O)N[*:1]
Cc1ccc(NC(=O)NCc2nc(-c3ccccc3C)oc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1-c1nc(CNC(=O)N[*:1])c(C)o1
Cc1ccc(NC(=O)NCc2nc(-c3ccccc3C)oc2C)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)NCc1nc(oc1C)[*:1]
Cc1ccccc1N(CC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1)S(C)(=O)=O c1cnc2nc(cn2c1)[*:1] Cc1ccccc1N(CC(=O)Nc1ccc(cc1)[*:1])S(C)(=O)=O
Cc1ccccc1N(CC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1)S(C)(=O)=O Cc1ccccc1[*:1] CS(=O)(=O)N(CC(=O)Nc1ccc(cc1)-c1cn2cccnc2n1)[*:1]
O=C(OC1CCN(CC(F)(F)F)CC1)c1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] O=C(OC1CCN(CC1)CC(F)(F)F)c1cccc(c1)NC(=O)[*:1]
O=C(OC1CCN(CC(F)(F)F)CC1)c1cccc(NC(=O)C2CC2)c1 FC(F)(F)C[*:1] O=C(OC1CCN(CC1)[*:1])c1cccc(c1)NC(=O)C1CC1
O=C(OC1CCN(CC(F)(F)F)CC1)c1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 O=C(OC1CCN(CC1)CC(F)(F)F)c1cccc(c1)[*:1]
O=C(OC1CCN(CC(F)(F)F)CC1)c1cccc(NC(=O)C2CC2)c1 FC(F)(F)[*:1] O=C(OC1CCN(CC1)C[*:1])c1cccc(c1)NC(=O)C1CC1
CC(C)NC(=O)CN1CCN(C(=O)NCCCn2cccn2)CC1 c1cnn(c1)CCC[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)N[*:1]
CC(C)NC(=O)CN1CCN(C(=O)NCCCn2cccn2)CC1 CC(C)NC(=O)C[*:1] O=C(NCCCn1cccn1)N1CCN(CC1)[*:1]
CC(C)NC(=O)CN1CCN(C(=O)NCCCn2cccn2)CC1 c1cnn(c1)C[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)NCC[*:1]
CC(C)NC(=O)CN1CCN(C(=O)NCCCn2cccn2)CC1 CC(C)[*:1] O=C(CN1CCN(CC1)C(=O)NCCCn1cccn1)N[*:1]
CC(C)NC(=O)CN1CCN(C(=O)NCCCn2cccn2)CC1 CC(C)NC(=O)[*:1] O=C(NCCCn1cccn1)N1CCN(CC1)C[*:1]
CC(C)NC(=O)CN1CCN(C(=O)NCCCn2cccn2)CC1 c1cnn(c1)[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)NCCC[*:1]
CC(C)NC(=O)CN1CCN(C(=O)NCCCn2cccn2)CC1 c1cnn(c1)CC[*:1] CC(C)NC(=O)CN1CCN(CC1)C(=O)NC[*:1]
CCC1(CNC(=O)NCCC(=O)N2CCCC2)CCC1 CCC1(CCC1)[*:1] O=C(NCCC(=O)N1CCCC1)NC[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)COc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] COCCn1cc[nH+]c1C1CCN(CC1)C(=O)CO[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)COc2cccc(F)c2)CC1 COCC[*:1] O=C(COc1cccc(F)c1)N1CCC(CC1)c1[nH+]ccn1[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)COc2cccc(F)c2)CC1 Fc1cccc(c1)O[*:1] COCCn1cc[nH+]c1C1CCN(CC1)C(=O)C[*:1]
COCCn1cc[nH+]c1C1CCN(C(=O)COc2cccc(F)c2)CC1 COC[*:1] O=C(COc1cccc(F)c1)N1CCC(CC1)c1[nH+]ccn1C[*:1]
CC(C)N(C(=O)COc1ccc2c(c1)OCO2)C(C)C CC(C)[*:1] CC(C)N(C(=O)COc1ccc2OCOc2c1)[*:1]
COC(=O)Cn1nnc(-c2cccc(Cl)c2)n1 COC(=O)[*:1] Clc1cccc(c1)-c1nnn(C[*:1])n1
COC(=O)Cn1nnc(-c2cccc(Cl)c2)n1 COC(=O)C[*:1] Clc1cccc(c1)-c1nnn(n1)[*:1]
Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)nc1 Cc1ccc(nc1)[*:1] O=C(Nc1n[nH]c2ccc(cc12)[N+](=O)[O-])[*:1]
Cc1ccc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)nc1 O=[N+]([O-])[*:1] Cc1ccc(nc1)C(=O)Nc1n[nH]c2ccc(cc12)[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCN(c2ccccc2)CC1 CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)N1CCN(CC1)c1ccccc1)[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N1CCN(CC1)[*:1])C(=O)N(C)C
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)Nc1cc(ccc1C)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)Nc1cc([N+](=O)[O-])ccc1C c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)Nc1cc(ccc1C)[*:1])[N+](=O)[O-]
CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccnn2C(C)(C)C)C1=O CC(C)(C)[*:1] CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccnn2[*:1])C1=O
CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccnn2C(C)(C)C)C1=O CC(C)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)N[C@H]1CCN(C1=O)[*:1]
COc1ccccc1CCN/C(N)=N\S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1CCN/C(N)=N\S(=O)(=O)[*:1]
O=C(c1ccccc1)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C1CC1 Fc1ccccc1OC[*:1] O=C(c1ccccc1)N(CC(=O)N1CCc2sccc2[C@@H]1[*:1])C1CC1
O=C(c1ccccc1)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C1CC1 Fc1ccccc1O[*:1] O=C(c1ccccc1)N(CC(=O)N1CCc2sccc2[C@H]1C[*:1])C1CC1
O=C(c1ccccc1)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C1CC1 C1CC1[*:1] O=C(CN(C(=O)c1ccccc1)[*:1])N1CCc2sccc2[C@H]1COc1ccccc1F
O=C(c1ccccc1)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C1CC1 Fc1ccccc1[*:1] O=C(c1ccccc1)N(CC(=O)N1CCc2sccc2[C@H]1CO[*:1])C1CC1
O=C(c1ccccc1)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C1CC1 c1ccc(cc1)[*:1] O=C(CN(C(=O)[*:1])C1CC1)N1CCc2sccc2[C@H]1COc1ccccc1F
CCC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)CCO1 CC(C)(C)[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CCC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)CCO1 CCC[*:1] CC(C)(C)NS(=O)(=O)c1ccc(cc1)C(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)CCO1 CC(C)(C)NS(=O)(=O)[*:1] CCC[C@@H]1CN(CCO1)C(=O)c1ccc(cc1)[*:1]
C[C@@H]1OCC[C@@H]1C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N1CCC(CC1)C(=O)[*:1]
COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)NC1CCCC1 O=S(=O)(NC1CCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1ccc(F)c(Cl)c1
COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)NC1CCCC1 C1CCC(C1)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)Nc1ccc(F)c(Cl)c1
COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)NC1CCCC1 Fc1ccc(cc1Cl)[*:1] COc1ccc(cc1S(=O)(=O)NC1CCCC1)C(=O)N[*:1]
Cn1cc[nH+]c1N1CCN(Cc2ncc(-c3ccccc3)s2)CC1 c1ccc(cc1)[*:1] Cn1cc[nH+]c1N1CCN(CC1)Cc1ncc(s1)[*:1]
C#CCNCC[NH+](C)CCc1cccs1 C#CC[*:1] C[NH+](CCN[*:1])CCc1cccs1
C#CCNCC[NH+](C)CCc1cccs1 c1csc(c1)[*:1] C#CCNCC[NH+](C)CC[*:1]
C#CCNCC[NH+](C)CCc1cccs1 C#CCNC[*:1] C[NH+](CCc1cccs1)C[*:1]
C#CCNCC[NH+](C)CCc1cccs1 C#CCN[*:1] C[NH+](CCc1cccs1)CC[*:1]
CCC(CC)(CNC(=O)N[C@H]1c2ccccc2C[C@@H]1O)S(C)(=O)=O CS(=O)(=O)[*:1] CCC(CC)(CNC(=O)N[C@H]1c2ccccc2C[C@@H]1O)[*:1]
O=C(c1ccccc1)c1ccc(N[C@@H](CO)c2ccco2)c([N+](=O)[O-])c1 O=C(c1ccccc1)[*:1] O=[N+]([O-])c1cc(ccc1N[C@@H](CO)c1ccco1)[*:1]
O=C(c1ccccc1)c1ccc(N[C@@H](CO)c2ccco2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(c1ccc(N[C@@H](CO)c2ccco2)c(c1)[N+](=O)[O-])[*:1]
O=C(c1ccccc1)c1ccc(N[C@@H](CO)c2ccco2)c([N+](=O)[O-])c1 c1coc(c1)[*:1] O=C(c1ccccc1)c1ccc(N[C@@H](CO)[*:1])c(c1)[N+](=O)[O-]
O=C(c1ccccc1)c1ccc(N[C@@H](CO)c2ccco2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(c1ccccc1)c1ccc(N[C@@H](CO)c2ccco2)c(c1)[*:1]
O=C(N[C@H](CCO)C(=O)[O-])c1c(F)ccc([N+](=O)[O-])c1F OCC[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1c(F)ccc(c1F)[N+](=O)[O-]
O=C(N[C@H](CCO)C(=O)[O-])c1c(F)ccc([N+](=O)[O-])c1F O=C([O-])[*:1] O=C(N[C@H](CCO)[*:1])c1c(F)ccc(c1F)[N+](=O)[O-]
O=C(N[C@H](CCO)C(=O)[O-])c1c(F)ccc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] O=C(N[C@H](CCO)C(=O)[O-])c1c(F)ccc(c1F)[*:1]
C[NH2+]C1CCC(Nc2ccc(C(=O)[O-])c(F)c2F)CC1 O=C([O-])[*:1] C[NH2+]C1CCC(CC1)Nc1ccc(c(F)c1F)[*:1]
Cn1cc(NC(=O)NC[C@@H]2C[C@@H]2c2ccccc2)cn1 Cn1cc(cn1)[*:1] O=C(NC[C@@H]1C[C@@H]1c1ccccc1)N[*:1]
Cn1cc(NC(=O)NC[C@@H]2C[C@@H]2c2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)NC(=O)NC[C@@H]1C[C@H]1[*:1]
CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc2[nH]ccc2c1 C1CN(CCO1)[*:1] CN(C[C@H](O)C[*:1])C(=O)c1ccc2[nH]ccc2c1
CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc2[nH]ccc2c1 C1CN(CCO1)C[*:1] CN(C[C@H](O)[*:1])C(=O)c1ccc2[nH]ccc2c1
Cc1cccnc1NC(=O)N1CCC[C@H]1Cc1cccc(F)c1 Cc1cccnc1[*:1] O=C(N[*:1])N1CCC[C@H]1Cc1cccc(F)c1
Cc1cccnc1NC(=O)N1CCC[C@H]1Cc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1cccnc1NC(=O)N1CCC[C@H]1C[*:1]
COC1(C[NH2+][C@H]2C[C@H](c3ccccc3)Oc3ccccc32)CCOCC1 c1ccc(cc1)[*:1] COC1(CCOCC1)C[NH2+][C@H]1C[C@H](Oc2ccccc21)[*:1]
C[C@@H]1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C[C@H]1n1cc[nH+]c1 C1CO[C@@H](C1)[*:1] C[C@@H]1CCN(C[C@H]1n1cc[nH+]c1)C(=O)c1cnc(s1)[*:1]
CCOC(=O)c1cnc2c(cnn2C)c1NCc1ccccc1 c1ccc(cc1)C[*:1] CCOC(=O)c1cnc2c(cnn2C)c1N[*:1]
CCOC(=O)c1cnc2c(cnn2C)c1NCc1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)c1cnc2c(cnn2C)c1NC[*:1]
CCOC(=O)c1cnc2c(cnn2C)c1NCc1ccccc1 CCOC(=O)[*:1] Cn1ncc2c(NCc3ccccc3)c(cnc21)[*:1]
Cc1c(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cnn1C Cc1c(cnn1C)[*:1] C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C[*:1]
CC(=O)c1ccccc1C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O CC(=O)[*:1] CN(C(=O)c1ccccc1[*:1])[C@@H]1CCCN(C1=O)c1ccccc1
CC(=O)c1ccccc1C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CC(=O)c1ccccc1C(=O)N(C)[C@@H]1CCCN(C1=O)[*:1]
CCCCc1ccc(NC(=O)[C@@H](C)C[NH2+]C)cc1 CCC[*:1] C[NH2+]C[C@H](C)C(=O)Nc1ccc(cc1)C[*:1]
CCCCc1ccc(NC(=O)[C@@H](C)C[NH2+]C)cc1 CCCC[*:1] C[NH2+]C[C@H](C)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 CC(C)(C)[*:1] O=C(COc1ccc(cc1)S(=O)(=O)N1CCOCC1)N[*:1]
CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 CC(C)(C)NC(=O)[*:1] O=S(=O)(c1ccc(cc1)OC[*:1])N1CCOCC1
CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 CC(C)(C)NC(=O)C[*:1] O=S(=O)(c1ccc(cc1)O[*:1])N1CCOCC1
C[C@H](C1CCN(C(=O)c2cc3ccccc3cn2)CC1)N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](C1CCN(CC1)C(=O)c1cc2ccccc2cn1)[*:1]
C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O)c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc2OCCCOc2c1)[*:1]
C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O)c1ccc2ccccc2c1 c1cc2OCCCOc2cc1[*:1] C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1])c1ccc2ccccc2c1
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1ccc[nH]1 CCS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)C(=O)Cc1ccc[nH]1
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)[*:1] CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C[*:1]
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1ccc[nH]1 c1c[nH]c(c1)C[*:1] CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[*:1]
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1ccc[nH]1 CCS(=O)(=O)C[*:1] C[C@@H](N(C)C(=O)Cc1ccc[nH]1)[*:1]
Cn1cc[nH+]c1CN1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 FC(F)(F)c1ccc(cc1)[*:1] Cn1cc[nH+]c1CN1CCC[C@H](C1)c1cccc(C[*:1])n1
Cn1cc[nH+]c1CN1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 FC(F)(F)[*:1] Cn1cc[nH+]c1CN1CCC[C@H](C1)c1cccc(Cc2ccc(cc2)[*:1])n1
Cc1ccc(N2C(=O)C[C@@H](N3CCC(=O)N3)C2=O)cc1 O=C1CCN(N1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@@H](C1=O)[*:1]
O=C(NCC1(c2ccc(Cl)cc2)CC1)C(=O)Nc1cc(Cl)ccc1F Clc1ccc(cc1)[*:1] O=C(NCC1(CC1)[*:1])C(=O)Nc1cc(Cl)ccc1F
O=C(NCC1(c2ccc(Cl)cc2)CC1)C(=O)Nc1cc(Cl)ccc1F Fc1ccc(Cl)cc1[*:1] O=C(NCC1(CC1)c1ccc(Cl)cc1)C(=O)N[*:1]
O=C(CCC1=c2ccccc2=[NH+]C1)N1CCN(C(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] O=C(CCC1C[NH+]=c2ccccc2=1)N1CCN(CC1)C(=O)[*:1]
CC(=O)N(c1ccc(F)cc1)c1nc(CN[C@H]2CC[C@H]([NH+](C)C)C2)cs1 Fc1ccc(cc1)[*:1] CC(=O)N(c1nc(cs1)CN[C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CCO[C@H](C)c1nc(CN2CCC3(CC2)OCCO3)cs1 CCO[C@H](C)[*:1] c1sc(nc1CN1CCC2(CC1)OCCO2)[*:1]
CCO[C@H](C)c1nc(CN2CCC3(CC2)OCCO3)cs1 CCO[*:1] C[C@H](c1nc(cs1)CN1CCC2(CC1)OCCO2)[*:1]
CC(C)[C@H](Sc1nccn1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 Cn1ccnc1S[*:1] CC(C)[C@H](C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
CC(C)[C@H](Sc1nccn1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 CC(C)[*:1] Cn1ccnc1S[C@H](C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
CC(C)[C@H](Sc1nccn1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 Cn1ccnc1[*:1] CC(C)[C@H](S[*:1])C(=O)N1CCN(CC1)c1cccc[nH+]1
C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCc1nc2c(F)cccc2n1C c1ccc(cc1)[*:1] C[C@@H](CC(=O)N(C)[*:1])[NH2+]CCc1nc2c(F)cccc2n1C
CC[C@@H](C)C[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 CC[C@@H](C)[*:1] CC[C@@H]([NH2+]C[*:1])c1nc(cs1)C(F)(F)F
CC[C@@H](C)C[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](C)C[NH2+][C@H](CC)c1nc(cs1)[*:1]
CC[C@@H](C)C[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 CC[C@@H](C)C[*:1] CC[C@@H]([NH2+][*:1])c1nc(cs1)C(F)(F)F
Cc1c([O-])nc(SCC(=O)Nc2nccs2)n(-c2ccccc2F)c1=O c1csc(n1)[*:1] Cc1c([O-])nc(SCC(=O)N[*:1])n(-c2ccccc2F)c1=O
Cc1c([O-])nc(SCC(=O)Nc2nccs2)n(-c2ccccc2F)c1=O Fc1ccccc1[*:1] Cc1c([O-])nc(SCC(=O)Nc2nccs2)n(c1=O)[*:1]
Cc1c([O-])nc(SCC(=O)Nc2nccs2)n(-c2ccccc2F)c1=O O=C(Nc1nccs1)[*:1] Cc1c([O-])nc(SC[*:1])n(-c2ccccc2F)c1=O
CCCNC(=O)[C@@H]1CCCN(c2ncnc3sc(C)cc23)C1 CCCNC(=O)[*:1] Cc1cc2c(ncnc2s1)N1CCC[C@H](C1)[*:1]
CCCNC(=O)[C@@H]1CCCN(c2ncnc3sc(C)cc23)C1 CCC[*:1] Cc1cc2c(ncnc2s1)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccc(NC(=O)[C@H](C)Sc2cccc[n+]2[O-])c(C)c1 [O-][n+]1ccccc1[*:1] Cc1ccc(NC(=O)[C@H](C)S[*:1])c(C)c1
CCOc1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCCC2)cc1F CCO[*:1] O=C(NCc1ccc(c(F)c1)[*:1])C(=O)Nc1ccnn1C1CCCC1
CCOc1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCCC2)cc1F C1CCC(C1)[*:1] CCOc1ccc(cc1F)CNC(=O)C(=O)Nc1ccnn1[*:1]
O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)[*:1])Nc1ccc(F)cc1
O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)c1ccccc1)N[*:1]
C[C@@H](O)[C@@H](NC(=O)CCOc1ccc(Br)cc1)C(=O)[O-] C[C@@H](O)[*:1] O=C(CCOc1ccc(Br)cc1)N[C@@H](C(=O)[O-])[*:1]
C[C@@H](O)[C@@H](NC(=O)CCOc1ccc(Br)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](O)[C@@H](NC(=O)CCOc1ccc(Br)cc1)[*:1]
CCn1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cn1 O=C([O-])[*:1] CCn1cc(cn1)S(=O)(=O)[N-]c1c(C)cc(C)cc1[*:1]
CCn1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cn1 CCn1cc(cn1)[*:1] Cc1cc(C)c([N-]S(=O)(=O)[*:1])c(c1)C(=O)[O-]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)o1 COC[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2ccc3OCCOc3c2)=C([O-])C(=O)N1CC[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)o1 COCCC[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2ccc3OCCOc3c2)=C([O-])C(=O)N1[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)o1 COCC[*:1] Cc1ccc(o1)[C@H]1C(C(=O)c2ccc3OCCOc3c2)=C([O-])C(=O)N1C[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3OCCOc3c2)[C@H]1[*:1]
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)o1 c1cc2OCCOc2cc1[*:1] COCCCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(C)o1
C[C@](O)(CNC(=O)CCc1ccccc1Br)C(F)(F)F FC(F)(F)[*:1] C[C@](O)(CNC(=O)CCc1ccccc1Br)[*:1]
CC(=O)c1ccc2ccccc2c1OCc1ccccc1C#N CC(=O)[*:1] N#Cc1ccccc1COc1c(ccc2ccccc12)[*:1]
CCNC(=O)C1CN(C(=O)C2C[C@@H](C)O[C@H](C)C2)C1 CCNC(=O)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CC(C1)[*:1]
CC[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)[C@H](NC(=O)[*:1])C(=O)[O-]
CC[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC O=C([O-])[*:1] CC[C@H](C)C(=O)N[C@H]([C@@H](C)CC)[*:1]
CC[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)C(=O)N[C@H](C(=O)[O-])[*:1]
CC[C@H](C)CN(C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C CC[C@H](C)[*:1] CNS(=O)(=O)c1ccc(C)c(c1)NC(=O)N(C)C[*:1]
CC[C@H](C)CN(C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C CNS(=O)(=O)[*:1] CC[C@H](C)CN(C)C(=O)Nc1cc(ccc1C)[*:1]
CC[C@H](C)CN(C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C CC[C@H](C)C[*:1] CNS(=O)(=O)c1ccc(C)c(c1)NC(=O)N(C)[*:1]
CCN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H]([NH3+])C(C)C CC(C)[*:1] CCN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H]([NH3+])[*:1]
COc1ccc(-c2ccc(CNC(=O)N[C@@H](C)Cn3cc[nH+]c3)cc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(cc1)[*:1]
Cc1ccc(C)c(NC(=O)N(C)[C@H](C)CC#N)c1 N#CC[*:1] Cc1ccc(C)c(c1)NC(=O)N(C)[C@H](C)[*:1]
CC(C)(C)c1cc2n(c1)CC[C@H]2C#N CC(C)(C)[*:1] N#C[C@@H]1CCn2cc(cc21)[*:1]
COC(=O)CCC[C@H]([NH3+])c1ccc(Cl)c2ccccc12 COC(=O)[*:1] [NH3+][C@@H](CCC[*:1])c1ccc(Cl)c2ccccc12
COC(=O)CCC[C@H]([NH3+])c1ccc(Cl)c2ccccc12 COC(=O)CC[*:1] [NH3+][C@@H](C[*:1])c1ccc(Cl)c2ccccc12
COC(=O)CCC[C@H]([NH3+])c1ccc(Cl)c2ccccc12 COC(=O)C[*:1] [NH3+][C@@H](CC[*:1])c1ccc(Cl)c2ccccc12
Cc1cc(C(F)(F)F)nc([C@H]2CCCN2c2cnccn2)n1 c1cnc(cn1)[*:1] Cc1cc(nc(n1)[C@H]1CCCN1[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)nc([C@H]2CCCN2c2cnccn2)n1 FC(F)(F)[*:1] Cc1cc(nc(n1)[C@H]1CCCN1c1cnccn1)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(Cc2c(F)cccc2Cl)C1=O Fc1cccc(Cl)c1[*:1] CC[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
CC[C@]1(c2ccccc2)NC(=O)N(Cc2c(F)cccc2Cl)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(Cc2c(F)cccc2Cl)C1=O)[*:1]
COc1ccccc1N1CCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 COc1ccccc1[*:1] Cn1ncc(C(=O)N2CCN(CC2)[*:1])c1-n1cccc1
COc1ccccc1N1CCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 c1ccn(c1)[*:1] COc1ccccc1N1CCN(CC1)C(=O)c1cnn(C)c1[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1CCCN1C(=O)C1CC1 c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)[C@@H]1CCCN1C(=O)C1CC1
Cc1ccc(Sc2ccc(NC(=O)CNC(=O)c3cc([N+](=O)[O-])cn3C)cc2)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)Sc1ccc(cc1)NC(=O)CNC(=O)c1cc(cn1C)[*:1]
Cc1ccc(Sc2ccc(NC(=O)CNC(=O)c3cc([N+](=O)[O-])cn3C)cc2)cc1C Cc1ccc(cc1C)[*:1] Cn1cc(cc1C(=O)NCC(=O)Nc1ccc(cc1)S[*:1])[N+](=O)[O-]
Cc1ccc(Sc2ccc(NC(=O)CNC(=O)c3cc([N+](=O)[O-])cn3C)cc2)cc1C Cc1ccc(cc1C)S[*:1] Cn1cc(cc1C(=O)NCC(=O)Nc1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1ccc(Sc2ccc(NC(=O)CNC(=O)c3cc([N+](=O)[O-])cn3C)cc2)cc1C Cn1cc(cc1[*:1])[N+](=O)[O-] Cc1ccc(cc1C)Sc1ccc(cc1)NC(=O)CNC(=O)[*:1]
O=C(NC[C@@H]1CCOC1)c1ccc(Oc2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] O=C(NC[C@@H]1CCOC1)c1ccc(cc1)O[*:1]
Cn1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c(C(C)(C)C)n1 C1CC1[*:1] Cn1cc(C(=O)Nc2ccc3nc(oc3c2)[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2ccc3nc(oc3c2)C2CC2)c(n1)[*:1]
Cn1cnc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1Cl Cn1cnc(c1Cl)[*:1] O=S(=O)(N(Cc1ccccc1C(F)(F)F)C1CC1)[*:1]
Cn1cnc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1Cl FC(F)(F)[*:1] Cn1cnc(c1Cl)S(=O)(=O)N(Cc1ccccc1[*:1])C1CC1
Cn1cnc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1Cl C1CC1[*:1] Cn1cnc(c1Cl)S(=O)(=O)N(Cc1ccccc1C(F)(F)F)[*:1]
C[C@@H](C[NH3+])N1CC[NH+]([C@@H]2CCO[C@]3(CCOC3)C2)CC1 C[C@@H](C[NH3+])[*:1] C1C[C@]2(CO1)C[C@@H](CCO2)[NH+]1CCN(CC1)[*:1]
C[C@H](C(=O)N1CCCC1)N1CCC([NH+]2CCCCC2)CC1 O=C(N1CCCC1)[*:1] C[C@H](N1CCC(CC1)[NH+]1CCCCC1)[*:1]
Cn1c(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2n(C)c1=O c1ccc(C[*:1])nc1 Cn1c(=O)c2ccc(nc2n(C)c1=O)[C@@H]1CCCN(C1)[*:1]
Cn1c(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2n(C)c1=O c1ccc(nc1)[*:1] Cn1c(=O)c2ccc(nc2n(C)c1=O)[C@@H]1CCCN(C1)C[*:1]
CC(C)[NH2+]Cc1cncc(N(C)C2CCCCC2)n1 CC(C)[*:1] CN(c1cncc(C[NH2+][*:1])n1)C1CCCCC1
CC(C)[NH2+]Cc1cncc(N(C)C2CCCCC2)n1 C1CCC(CC1)[*:1] CC(C)[NH2+]Cc1cncc(n1)N(C)[*:1]
O=C(NCCCO)N[C@@H]1CCCOc2c1ccc1ccccc21 OCCC[*:1] O=C(N[C@@H]1CCCOc2c1ccc1ccccc21)N[*:1]
O=C(NCCCO)N[C@@H]1CCCOc2c1ccc1ccccc21 OCC[*:1] O=C(NC[*:1])N[C@@H]1CCCOc2c1ccc1ccccc21
O=C(Cc1ccc(F)cc1F)OC[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1F)OC[C@@H]1CCN(C1)[*:1]
O=C(Cc1ccc(F)cc1F)OC[C@@H]1CCN(c2ccccc2)C1 Fc1ccc(c(F)c1)[*:1] O=C(C[*:1])OC[C@@H]1CCN(C1)c1ccccc1
CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 CCNC(=O)[*:1] O=C1C[C@@H](C(=O)Nc2ccc(cc2)[*:1])c2ccccc2N1
O=C([O-])C[C@H](c1ccccc1)[NH+]1CC2(CCOCC2)C1 O=C([O-])[*:1] c1ccc(cc1)[C@@H](C[*:1])[NH+]1CC2(CCOCC2)C1
O=C([O-])C[C@H](c1ccccc1)[NH+]1CC2(CCOCC2)C1 c1ccc(cc1)[*:1] O=C([O-])C[C@H]([NH+]1CC2(CCOCC2)C1)[*:1]
CC(C)C[C@@H](C)CC(=O)N1CCC(Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)C[C@@H](C)CC(=O)N1CCC(CC1)N[*:1]
CC(C)C[C@@H](C)CC(=O)N1CCC(Nc2ccccc2)CC1 c1ccc(cc1)N[*:1] CC(C)C[C@@H](C)CC(=O)N1CCC(CC1)[*:1]
CC(C)C[C@@H](C)CC(=O)N1CCC(Nc2ccccc2)CC1 CC(C)[*:1] C[C@@H](CC(=O)N1CCC(CC1)Nc1ccccc1)C[*:1]
CC(C)C[C@@H](C)CC(=O)N1CCC(Nc2ccccc2)CC1 CC(C)C[*:1] C[C@@H](CC(=O)N1CCC(CC1)Nc1ccccc1)[*:1]
C=CCn1c(SCC(=O)N(C)CCC#N)nc2sc3c(c2c1=O)CC[C@@H](C)C3 C=CC[*:1] C[C@@H]1CCc2c(C1)sc1nc(SCC(=O)N(C)CCC#N)n(c(=O)c21)[*:1]
C=CCn1c(SCC(=O)N(C)CCC#N)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CN(CCC#N)C(=O)C[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)S[*:1]
C=CCn1c(SCC(=O)N(C)CCC#N)nc2sc3c(c2c1=O)CC[C@@H](C)C3 N#CCC[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SCC(=O)N(C)[*:1]
C=CCn1c(SCC(=O)N(C)CCC#N)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CN(CCC#N)C(=O)[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SC[*:1]
C=CCn1c(SCC(=O)N(C)CCC#N)nc2sc3c(c2c1=O)CC[C@@H](C)C3 N#CC[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SCC(=O)N(C)C[*:1]
CS(=O)(=O)NCCC(=O)N1CCc2ccccc21 CS(=O)(=O)NC[*:1] O=C(C[*:1])N1CCc2ccccc21
CS(=O)(=O)NCCC(=O)N1CCc2ccccc21 CS(=O)(=O)N[*:1] O=C(CC[*:1])N1CCc2ccccc21
C[C@@H](NC(=O)NNc1ccc(-n2cccn2)nn1)c1ccccc1C(F)(F)F c1cnn(c1)[*:1] C[C@@H](NC(=O)NNc1ccc(nn1)[*:1])c1ccccc1C(F)(F)F
C[C@@H](NC(=O)NNc1ccc(-n2cccn2)nn1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@@H](NC(=O)NNc1ccc(nn1)-n1cccn1)c1ccccc1[*:1]
C[C@H](Nc1ccc(C(=O)[O-])c(F)c1F)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](Nc1ccc(C(=O)[O-])c(F)c1F)[*:1]
C[C@H](Nc1ccc(C(=O)[O-])c(F)c1F)c1ccccc1Cl O=C([O-])[*:1] C[C@H](Nc1ccc(c(F)c1F)[*:1])c1ccccc1Cl
CCCS(=O)(=O)CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 CCCS(=O)(=O)C[*:1] N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[*:1]
CCCS(=O)(=O)CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 c1ccc(cc1)[*:1] CCCS(=O)(=O)CC(=O)N1CCC[C@@H]1[C@@H](C#N)[*:1]
CCCS(=O)(=O)CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 CCCS(=O)(=O)[*:1] N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C[*:1]
CCCS(=O)(=O)CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 CCC[*:1] N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CS(=O)(=O)[*:1]
COC(=O)[C@@H]1CN(Cn2nc(Cl)c3ccccc32)CCO1 COC(=O)[*:1] Clc1nn(CN2CCO[C@@H](C2)[*:1])c2ccccc12
COc1ccccc1N1CCN(C(=O)C[NH+]2CCC(n3nnc4cc(F)ccc43)CC2)CC1 COc1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)n1nnc2cc(F)ccc21)N1CCN(CC1)[*:1]
COc1ccccc1N1CCN(C(=O)C[NH+]2CCC(n3nnc4cc(F)ccc43)CC2)CC1 Fc1ccc2c(c1)nnn2[*:1] COc1ccccc1N1CCN(CC1)C(=O)C[NH+]1CCC(CC1)[*:1]
O=C(Nc1cccnc1)C(=O)N1CCCCCCC1 c1cncc(c1)[*:1] O=C(N[*:1])C(=O)N1CCCCCCC1
O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1ccccc1 c1coc(c1)[*:1] O=C(CNc1ccc(Cl)cc1NC(=O)[*:1])Nc1ccccc1
O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)N[*:1]
O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1ccccc1 O=C(N[*:1])c1ccco1 O=C(CNc1ccc(Cl)cc1[*:1])Nc1ccccc1
COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(C)c3C)c3ccccc3S2)cc1OC Cc1cccc(NC(=O)[*:1])c1C COc1ccc(cc1OC)[C@@H]1CC(=O)N(C[*:1])c2ccccc2S1
COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(C)c3C)c3ccccc3S2)cc1OC Cc1cccc(c1C)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)N(CC(=O)N[*:1])c2ccccc2S1
COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(C)c3C)c3ccccc3S2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cccc(NC(=O)CN2C(=O)C[C@H](Sc3ccccc32)[*:1])c1C
COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCC[C@@H]1[*:1]
CC[C@@H](c1ccc(F)cc1F)[S@](=O)CC1CCOCC1 C1CC(CCO1)[*:1] CC[C@@H](c1ccc(F)cc1F)[S@](=O)C[*:1]
CNC(=O)NC(=O)CCN(Cc1cccc(C)c1)Cc1ccccn1 Cc1cccc(c1)C[*:1] CNC(=O)NC(=O)CCN(Cc1ccccn1)[*:1]
CNC(=O)NC(=O)CCN(Cc1cccc(C)c1)Cc1ccccn1 CNC(=O)NC(=O)C[*:1] Cc1cccc(c1)CN(Cc1ccccn1)C[*:1]
CNC(=O)NC(=O)CCN(Cc1cccc(C)c1)Cc1ccccn1 Cc1cccc(c1)[*:1] CNC(=O)NC(=O)CCN(Cc1ccccn1)C[*:1]
CNC(=O)NC(=O)CCN(Cc1cccc(C)c1)Cc1ccccn1 c1ccc(C[*:1])nc1 CNC(=O)NC(=O)CCN(Cc1cccc(C)c1)[*:1]
CNC(=O)NC(=O)CCN(Cc1cccc(C)c1)Cc1ccccn1 CNC(=O)NC(=O)[*:1] Cc1cccc(c1)CN(CC[*:1])Cc1ccccn1
CNC(=O)NC(=O)CCN(Cc1cccc(C)c1)Cc1ccccn1 c1ccc(nc1)[*:1] CNC(=O)NC(=O)CCN(Cc1cccc(C)c1)C[*:1]
O=C1C[C@H](c2cc(Br)ccc2F)c2c(-c3ccccc3)n[nH]c2N1 Fc1ccc(Br)cc1[*:1] O=C1C[C@H](c2c(n[nH]c2N1)-c1ccccc1)[*:1]
O=C1C[C@H](c2cc(Br)ccc2F)c2c(-c3ccccc3)n[nH]c2N1 c1ccc(cc1)[*:1] O=C1C[C@H](c2cc(Br)ccc2F)c2c(n[nH]c2N1)[*:1]
COc1ccc(CCC(=O)N2CCC[NH+](Cc3cc(C)on3)CC2)cc1 Cc1cc(no1)[*:1] COc1ccc(cc1)CCC(=O)N1CCC[NH+](CC1)C[*:1]
COc1ccc(CCC(=O)N2CCC[NH+](Cc3cc(C)on3)CC2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C[NH+]2CCCN(CC2)C(=O)CC[*:1])no1
CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cccc(OC)c4OC)cc3)ccc21 COc1cccc(C[*:1])c1OC CCC(=O)N1CCc2cc(ccc21)-c1ccc(cc1)C(=O)N[*:1]
CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cccc(OC)c4OC)cc3)ccc21 COc1cccc(c1OC)[*:1] CCC(=O)N1CCc2cc(ccc21)-c1ccc(cc1)C(=O)NC[*:1]
CCCc1c(N)nnn1Cc1ccn(-c2ccccc2)n1 CCC[*:1] Nc1nnn(Cc2ccn(n2)-c2ccccc2)c1[*:1]
CCCc1c(N)nnn1Cc1ccn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCCc1c(N)nnn1Cc1ccn(n1)[*:1]
CC(C)c1ccc(-c2noc(N3CCC(C(=O)N4CCOCC4)CC3)n2)cc1 O=C(N1CCOCC1)[*:1] CC(C)c1ccc(cc1)-c1noc(n1)N1CCC(CC1)[*:1]
CC(C)c1ccc(-c2noc(N3CCC(C(=O)N4CCOCC4)CC3)n2)cc1 CC(C)[*:1] O=C(C1CCN(CC1)c1nc(no1)-c1ccc(cc1)[*:1])N1CCOCC1
CC(C)c1ccc(-c2noc(N3CCC(C(=O)N4CCOCC4)CC3)n2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(C1CCN(CC1)c1nc(no1)[*:1])N1CCOCC1
CCOCc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2OC)c1 COc1ccccc1[*:1] CCOCc1cccc(c1)NC(=O)C(=O)N1CCC[C@@H]1[*:1]
CCOCc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2OC)c1 CCO[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(c1)C[*:1]
CCOCc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2OC)c1 CCOC[*:1] COc1ccccc1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(c1)[*:1]
Cc1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1 c1cc(ccn1)[*:1] Cc1cccc(c1)CN1CC[NH+](CC1)C[*:1]
Cc1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1 Cc1cccc(c1)[*:1] c1cc(ccn1)C[NH+]1CCN(CC1)C[*:1]
Cc1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1 c1cc(ccn1)C[*:1] Cc1cccc(c1)CN1CC[NH+](CC1)[*:1]
C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)NC1(C#N)CCCCC1 FC(F)(F)[*:1] C[C@H](N[C@@H](C)c1cccc(c1)[*:1])C(=O)NC1(C#N)CCCCC1
C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)NC1(C#N)CCCCC1 N#CC1(CCCCC1)[*:1] C[C@H](N[C@@H](C)c1cccc(c1)C(F)(F)F)C(=O)N[*:1]
Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)Nc1ccc(Cl)cc1C)O2 Cc1cc(Cl)ccc1[*:1] Cc1ccc2O[C@@](C)(C(=O)Nc2c1)C(=O)N[*:1]
COC[C@H](C)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] COC[C@H](C)N1CCN(CC1)C(=O)c1ccc(cc1)OC[*:1]
COC[C@H](C)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 c1ccc(cc1)CO[*:1] COC[C@H](C)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
COC[C@H](C)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 COC[*:1] C[C@H](N1CCN(CC1)C(=O)c1ccc(cc1)OCc1ccccc1)[*:1]
COC[C@H](C)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 c1ccc(cc1)C[*:1] COC[C@H](C)N1CCN(CC1)C(=O)c1ccc(cc1)O[*:1]
Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(I)cc2)c1 Ic1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=S)NC(=O)[*:1]
CCN(CC)c1nc(-c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cs1 CC(C)C[*:1] CCN(CC)c1nc(cs1)-c1c(N)n(c(=O)n(C)c1=O)[*:1]
CCN(CC)c1nc(-c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cs1 CC(C)[*:1] CCN(CC)c1nc(cs1)-c1c(N)n(C[*:1])c(=O)n(C)c1=O
CCN(CC)c1nc(-c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cs1 CCN(CC)[*:1] CC(C)Cn1c(N)c(-c2csc(n2)[*:1])c(=O)n(C)c1=O
CC[C@H](CO)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 CC[C@H](CO)[*:1] C[C@@H]1CCc2c(C1)sc1ncn(c(=O)c21)[*:1]
CCOc1cc2c(cc1OCC)CN(C(=O)c1cccc(C)c1C)CC2 CCO[*:1] CCOc1cc2CN(CCc2cc1[*:1])C(=O)c1cccc(C)c1C
CCOc1cc2c(cc1OCC)CN(C(=O)c1cccc(C)c1C)CC2 CCO[*:1] CCOc1cc2CCN(Cc2cc1[*:1])C(=O)c1cccc(C)c1C
CCOc1cc2c(cc1OCC)CN(C(=O)c1cccc(C)c1C)CC2 Cc1cccc(c1C)[*:1] CCOc1cc2CCN(Cc2cc1OCC)C(=O)[*:1]
C[C@@H](CNC(=O)CC/C=C/c1ccccc1)c1ccsc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)CCC=C[*:1])c1ccsc1
C[C@@H](CNC(=O)CC/C=C/c1ccccc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](CNC(=O)CC/C=C/c1ccccc1)[*:1]
COc1cccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)o2)c1 COc1cccc(c1)[*:1] O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(o1)[*:1]
COc1cccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)o2)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)-c1nnc(NC(=O)CCS(=O)(=O)[*:1])o1
Cc1ccc(NC(=O)CCNC(=O)[C@@H](C)c2cccs2)c(Cl)c1 c1csc(c1)[*:1] Cc1ccc(NC(=O)CCNC(=O)[C@@H](C)[*:1])c(Cl)c1
Cc1ccccc1-c1cc(NC(=O)c2cccc3cc[nH]c23)n(CCO)n1 OCC[*:1] Cc1ccccc1-c1cc(NC(=O)c2cccc3cc[nH]c23)n(n1)[*:1]
Cc1ccccc1-c1cc(NC(=O)c2cccc3cc[nH]c23)n(CCO)n1 c1cc(c2[nH]ccc2c1)[*:1] Cc1ccccc1-c1cc(NC(=O)[*:1])n(CCO)n1
Cc1ccccc1-c1cc(NC(=O)c2cccc3cc[nH]c23)n(CCO)n1 Cc1ccccc1[*:1] O=C(Nc1cc(nn1CCO)[*:1])c1cccc2cc[nH]c12
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCC#N N#CCNC(=O)[*:1] C[C@@H](Cc1cccc(c1)C(F)(F)F)[*:1]
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCC#N N#CC[*:1] C[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N[*:1]
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCC#N FC(F)(F)[*:1] C[C@@H](Cc1cccc(c1)[*:1])C(=O)NCC#N
Cc1cnc(N)c(C(=O)c2ncc[nH]2)c1 c1c[nH]c(n1)[*:1] Cc1cnc(N)c(c1)C(=O)[*:1]
Cc1nnc(-c2ccccc2N[C@H]2CC[C@@H]([NH3+])C2)o1 Cc1nnc(o1)[*:1] [NH3+][C@@H]1CC[C@@H](C1)Nc1ccccc1[*:1]
O=C(CCCc1ccccn1)Nc1ccc(Oc2ccccc2Cl)cc1 Clc1ccccc1O[*:1] O=C(CCCc1ccccn1)Nc1ccc(cc1)[*:1]
O=C(CCCc1ccccn1)Nc1ccc(Oc2ccccc2Cl)cc1 c1ccc(C[*:1])nc1 O=C(CC[*:1])Nc1ccc(cc1)Oc1ccccc1Cl
O=C(CCCc1ccccn1)Nc1ccc(Oc2ccccc2Cl)cc1 c1ccc(nc1)[*:1] O=C(CCC[*:1])Nc1ccc(cc1)Oc1ccccc1Cl
O=C(CCCc1ccccn1)Nc1ccc(Oc2ccccc2Cl)cc1 Clc1ccccc1[*:1] O=C(CCCc1ccccn1)Nc1ccc(cc1)O[*:1]
O=C(CCCc1ccccn1)Nc1ccc(Oc2ccccc2Cl)cc1 c1ccc(CC[*:1])nc1 O=C(C[*:1])Nc1ccc(cc1)Oc1ccccc1Cl
CN(C)C(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)[C@@H]1CCCCN21 O=C([O-])[*:1] CN(C)C(=O)c1ccc2c(c1)N(C[*:1])C(=O)[C@@H]1CCCCN21
CN(C)C(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)[C@@H]1CCCCN21 O=C([O-])C[*:1] CN(C)C(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCCCN21)[*:1]
CN(C)C(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)[C@@H]1CCCCN21 CN(C)C(=O)[*:1] O=C([O-])CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)[*:1]
CC1(C)CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 O=C([O-])[*:1] CC1(C)CCN(C1)S(=O)(=O)c1ccc(O)c(c1)[*:1]
COc1ccc(C)cc1CSCc1ncoc1C(C)C CC(C)[*:1] COc1ccc(C)cc1CSCc1ncoc1[*:1]
Cc1ccc(NCc2ccc(OCC(C)C)cc2)cc1N1CCOC1=O CC(C)CO[*:1] Cc1ccc(cc1N1CCOC1=O)NCc1ccc(cc1)[*:1]
Cc1ccc(NCc2ccc(OCC(C)C)cc2)cc1N1CCOC1=O CC(C)C[*:1] Cc1ccc(cc1N1CCOC1=O)NCc1ccc(cc1)O[*:1]
Cc1ccc(NCc2ccc(OCC(C)C)cc2)cc1N1CCOC1=O CC(C)[*:1] Cc1ccc(cc1N1CCOC1=O)NCc1ccc(cc1)OC[*:1]
Cc1ccc(NCc2ccc(OCC(C)C)cc2)cc1N1CCOC1=O O=C1OCCN1[*:1] Cc1ccc(cc1[*:1])NCc1ccc(cc1)OCC(C)C
Cc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nc3[nH]nc(C)c3c2=[NH2+])cc1 Cc1ccc(cc1)[*:1] Cc1n[nH]c2nc(SCC(=O)N3CCC(C)CC3)n(c(=[NH2+])c12)[*:1]
Cc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nc3[nH]nc(C)c3c2=[NH2+])cc1 CC1CCN(CC1)C(=O)[*:1] Cc1ccc(cc1)-n1c(nc2[nH]nc(C)c2c1=[NH2+])SC[*:1]
O=C(NOCC(=O)N1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 FC(F)(F)[*:1] O=C(NOCC(=O)N1CCN(CC1)c1[nH+]cc(cc1Cl)[*:1])c1ccccc1
O=C(NOCC(=O)N1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 O=C(NO[*:1])c1ccccc1 O=C(C[*:1])N1CCN(CC1)c1[nH+]cc(cc1Cl)C(F)(F)F
O=C(NOCC(=O)N1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CONC(=O)[*:1])N1CCN(CC1)c1[nH+]cc(cc1Cl)C(F)(F)F
Cc1ccc(-c2csc3ncn(CC(=O)N(C4CC4)[C@H]4CCS(=O)(=O)C4)c(=O)c23)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1cnc2scc(c2c1=O)[*:1])N(C1CC1)[C@H]1CCS(=O)(=O)C1
Cc1ccc(-c2csc3ncn(CC(=O)N(C4CC4)[C@H]4CCS(=O)(=O)C4)c(=O)c23)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1csc2ncn(CC(=O)N([C@H]3CCS(=O)(=O)C3)[*:1])c(=O)c12
Cn1c(=O)c2sccc2n2c(COc3cccc(Cl)c3)nnc12 Clc1cccc(c1)[*:1] Cn1c(=O)c2sccc2n2c(CO[*:1])nnc12
COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(F)c2F)cc1 Fc1cccc(c1F)[*:1] COc1ccc(cc1)-n1cnc2c1N=C(O)C[C@H]2[*:1]
COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(F)c2F)cc1 COc1ccc(cc1)[*:1] OC1C[C@H](c2cccc(F)c2F)c2ncn(c2N=1)[*:1]
COC[C@@H](C)N(C)C(=O)N1CCC(CC(=O)[O-])CC1 COC[C@@H](C)[*:1] CN(C(=O)N1CCC(CC1)CC(=O)[O-])[*:1]
COC[C@@H](C)N(C)C(=O)N1CCC(CC(=O)[O-])CC1 COC[*:1] C[C@@H](N(C)C(=O)N1CCC(CC1)CC(=O)[O-])[*:1]
COC[C@@H](C)N(C)C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])[*:1] COC[C@@H](C)N(C)C(=O)N1CCC(CC1)C[*:1]
COC[C@@H](C)N(C)C(=O)N1CCC(CC(=O)[O-])CC1 O=C([O-])C[*:1] COC[C@@H](C)N(C)C(=O)N1CCC(CC1)[*:1]
COc1ccc(O/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)O/C(=N/S(=O)(=O)c1ccccc1)[*:1]
COc1ccc(O/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(/N=C(/O[*:1])c1ccccc1)c1ccccc1
COc1ccc(O/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)O/C(=N/S(=O)(=O)[*:1])c1ccccc1
N#Cc1ccc(F)c(CNC(=O)c2ccnc(OC3CCC3)c2)c1 C1CC(C1)[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1ccnc(c1)O[*:1]
N#Cc1ccc(F)c(CNC(=O)c2ccnc(OC3CCC3)c2)c1 C1CC(C1)O[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1ccnc(c1)[*:1]
Cc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 Cc1ccccc1C[*:1] O=C(N[*:1])[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1
Cc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 Cc1ccccc1[*:1] O=C(NC[*:1])[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1
Cc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)N[*:1]
C[C@H]1CCCC[C@H]1CNC(=O)NCCN1C(=O)CCC1=O O=C1CCC(=O)N1[*:1] C[C@H]1CCCC[C@H]1CNC(=O)NCC[*:1]
C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 C=CC[*:1] C[C@H](N[C@H](C)c1ccc(F)c(F)c1)C(=O)N[*:1]
C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 C=CCNC(=O)[*:1] C[C@H](N[C@H](C)c1ccc(F)c(F)c1)[*:1]
NC(=O)c1c(F)cc(Br)cc1NCc1ccccc1 NC(=O)[*:1] Fc1cc(Br)cc(NCc2ccccc2)c1[*:1]
NC(=O)c1c(F)cc(Br)cc1NCc1ccccc1 c1ccc(cc1)[*:1] NC(=O)c1c(F)cc(Br)cc1NC[*:1]
O=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N=C2N=C3CCCC([O-])=C3[C@H](c3ccc(F)cc3)[C@@H]12 O=[N+]([O-])[*:1] O=C1N=C(N=C2N=C3CCCC([O-])=C3[C@H](c3ccc(F)cc3)[C@@H]12)SCc1ccc(cc1)[*:1]
O=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N=C2N=C3CCCC([O-])=C3[C@H](c3ccc(F)cc3)[C@@H]12 O=[N+]([O-])c1ccc(cc1)C[*:1] O=C1N=C(N=C2N=C3CCCC([O-])=C3[C@H](c3ccc(F)cc3)[C@@H]12)S[*:1]
O=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N=C2N=C3CCCC([O-])=C3[C@H](c3ccc(F)cc3)[C@@H]12 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1N=C(N=C2N=C3CCCC([O-])=C3[C@H](c3ccc(F)cc3)[C@@H]12)SC[*:1]
O=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N=C2N=C3CCCC([O-])=C3[C@H](c3ccc(F)cc3)[C@@H]12 Fc1ccc(cc1)[*:1] O=C1N=C(N=C2N=C3CCCC([O-])=C3[C@H]([C@@H]12)[*:1])SCc1ccc(cc1)[N+](=O)[O-]
Cc1cc(C)nc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1 C1CCC(C1)[*:1] Cc1cc(C)nc(n1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 Cc1ccc(cc1)[*:1] C[C@@H](SCC(=O)N[*:1])C(=O)Nc1ccc(F)c(F)c1F
CCOc1ccc2nc(N[C@@H](C)CC[NH+](C)C)sc2c1 CCO[*:1] C[C@@H](CC[NH+](C)C)Nc1nc2ccc(cc2s1)[*:1]
COc1cccc2c1OCC(C(=O)Nc1c(C)cnn1-c1ccccc1)=C2 c1ccc(cc1)[*:1] COc1cccc2C=C(COc21)C(=O)Nc1c(C)cnn1[*:1]
C[C@@H]1CN(C(=O)N2CC(CC(=O)[O-])C2)C[C@H]1C O=C([O-])[*:1] C[C@@H]1CN(C[C@H]1C)C(=O)N1CC(C1)C[*:1]
C[C@@H]1CN(C(=O)N2CC(CC(=O)[O-])C2)C[C@H]1C O=C([O-])C[*:1] C[C@@H]1CN(C[C@H]1C)C(=O)N1CC(C1)[*:1]
COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(Br)cc1 COC[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@@H](c4ccc(Br)cc4)c3c(=O)c2cc1Cl
COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1[*:1]
COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(Br)cc1 COCC[*:1] Cc1cc2oc3C(=O)N([C@@H](c4ccc(Br)cc4)c3c(=O)c2cc1Cl)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 COc1ccc(cc1)[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)[*:1])N1CCCCCC1
COc1c(C)cc(C[NH+](Cc2cccc(O)c2)C2CCC(O)CC2)cc1C Oc1cccc(c1)[*:1] COc1c(C)cc(cc1C)C[NH+](C[*:1])C1CCC(O)CC1
COc1c(C)cc(C[NH+](Cc2cccc(O)c2)C2CCC(O)CC2)cc1C Oc1cccc(c1)C[*:1] COc1c(C)cc(cc1C)C[NH+](C1CCC(O)CC1)[*:1]
CC1(C)N=C(SCC(=O)Nc2ccc(Br)cc2)C(c2ccc(Cl)c(Cl)c2)=N1 Brc1ccc(cc1)[*:1] CC1(C)N=C(SCC(=O)N[*:1])C(=N1)c1ccc(Cl)c(Cl)c1
CC1(C)N=C(SCC(=O)Nc2ccc(Br)cc2)C(c2ccc(Cl)c(Cl)c2)=N1 Clc1ccc(cc1Cl)[*:1] CC1(C)N=C(SCC(=O)Nc2ccc(Br)cc2)C(=N1)[*:1]
Cc1cc(C)cc(C[S@@](=O)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 Cc1ccc(Cl)cc1[*:1] Cc1cc(C)cc(c1)C[S@@](=O)[C@H](C)C(=O)N[*:1]
Cc1cc(C)cc(C[S@@](=O)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[S@](=O)C[*:1]
Cc1cc(C)cc(OC(=O)CCNC(=O)/C=C/c2ccco2)c1 C(=C[*:1])c1ccco1 Cc1cc(C)cc(c1)OC(=O)CCNC(=O)[*:1]
Cc1cc(C)cc(OC(=O)CCNC(=O)/C=C/c2ccco2)c1 c1coc(c1)[*:1] Cc1cc(C)cc(c1)OC(=O)CCNC(=O)C=C[*:1]
COCCOc1ccc(CNC(=O)N2CCC(C(C)C)CC2)cn1 COCC[*:1] CC(C)C1CCN(CC1)C(=O)NCc1ccc(nc1)O[*:1]
COCCOc1ccc(CNC(=O)N2CCC(C(C)C)CC2)cn1 COCCO[*:1] CC(C)C1CCN(CC1)C(=O)NCc1ccc(nc1)[*:1]
COCCOc1ccc(CNC(=O)N2CCC(C(C)C)CC2)cn1 COC[*:1] CC(C)C1CCN(CC1)C(=O)NCc1ccc(nc1)OC[*:1]
COCCOc1ccc(CNC(=O)N2CCC(C(C)C)CC2)cn1 CC(C)[*:1] COCCOc1ccc(cn1)CNC(=O)N1CCC(CC1)[*:1]
CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](O)c1cccc(F)c1 CCCN[*:1] N#Cc1ccc(c(c1)NC(=O)C[C@@H](O)c1cccc(F)c1)[*:1]
CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](O)c1cccc(F)c1 CCC[*:1] N#Cc1ccc(N[*:1])c(c1)NC(=O)C[C@@H](O)c1cccc(F)c1
CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](O)[*:1]
CCC[C@H](C)Nc1ccc(N)c[nH+]1 CCC[*:1] C[C@H](Nc1ccc(N)c[nH+]1)[*:1]
ClC[C@@H](Cc1ccco1)c1cccc(Cl)c1 c1coc(c1)[*:1] ClC[C@@H](C[*:1])c1cccc(Cl)c1
Cn1nccc1CNC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1nccc1CNC(=O)c1cnc(cn1)O[*:1]
Cn1nccc1CNC(=O)c1cnc(Oc2ccccc2)cn1 Cn1nccc1C[*:1] O=C(N[*:1])c1cnc(cn1)Oc1ccccc1
Cn1nccc1CNC(=O)c1cnc(Oc2ccccc2)cn1 Cn1nccc1[*:1] O=C(NC[*:1])c1cnc(cn1)Oc1ccccc1
Cn1nccc1CNC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] Cn1nccc1CNC(=O)c1cnc(cn1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)/C=C/c1ccc2c(c1)OCO2 C1CC[C@H](C[*:1])OC1 CC(C)N(C(=O)/C=C/c1ccc2OCOc2c1)[*:1]
CC(C)N(C[C@H]1CCCCO1)C(=O)/C=C/c1ccc2c(c1)OCO2 CC(C)[*:1] O=C(/C=C/c1ccc2OCOc2c1)N(C[C@H]1CCCCO1)[*:1]
CCCCOc1cc(C)c(N)cn1 CCC[*:1] Cc1cc(ncc1N)OC[*:1]
CCCCOc1cc(C)c(N)cn1 CCCC[*:1] Cc1cc(ncc1N)O[*:1]
O=C(c1ccncc1F)N(c1ccccc1)C1Cc2ccccc2C1 Fc1cnccc1[*:1] O=C(N(c1ccccc1)C1Cc2ccccc2C1)[*:1]
O=C(c1ccncc1F)N(c1ccccc1)C1Cc2ccccc2C1 c1ccc(cc1)[*:1] O=C(c1ccncc1F)N(C1Cc2ccccc2C1)[*:1]
CC(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C CC(=O)CS[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)C(C)(C)C)[*:1]
CC(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C CC(=O)C[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)C(C)(C)C)S[*:1]
CC(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C CC(C)(C)[*:1] CC(=O)CSc1nc(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
CC(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C CC(=O)[*:1] Cn1c(=O)c2c(nc(nc2n(C)c1=O)C(C)(C)C)SC[*:1]
COc1cccc(C[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)C[C@H](NC(=O)c1cnc(s1)[C@@H]1CCCO1)[*:1]
COc1cccc(C[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C2CC2)c1 COc1cccc(c1)[*:1] O=C(N[C@@H](C[*:1])C1CC1)c1cnc(s1)[C@@H]1CCCO1
COc1cccc(C[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C2CC2)c1 C1CO[C@@H](C1)[*:1] COc1cccc(c1)C[C@H](NC(=O)c1cnc(s1)[*:1])C1CC1
CCC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1 CCC(=O)N[*:1] C[C@@H]1C[C@@H](CN1C(=O)c1cc(ccc1O)[*:1])c1ccc(F)cc1
CCC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1 Fc1ccc(cc1)[*:1] CCC(=O)Nc1ccc(O)c(c1)C(=O)N1C[C@@H](C[C@H]1C)[*:1]
O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2c(=O)[nH]1 O=[N+]([O-])[*:1] O=C(NCCc1cccc(c1)[*:1])c1cc2ccccc2c(=O)[nH]1
COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1nc2c(C)cccc2s1 COC(=O)[*:1] Cc1cccc2sc(nc12)NC(=O)c1ccccc1S[C@@H](C)[*:1]
CNC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1c(C)cccc1C Cc1cccc(C)c1[*:1] CNC(=O)COc1ccccc1/C=C(/C#N)C(=O)N[*:1]
CNC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1c(C)cccc1C CNC(=O)[*:1] Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccccc1OC[*:1]
CNC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1c(C)cccc1C CNC(=O)C[*:1] Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccccc1O[*:1]
CNC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1c(C)cccc1C CNC(=O)CO[*:1] Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccccc1[*:1]
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 O=C([O-])[*:1] CC(=O)Nc1cc(cc(c1)C(=O)Nc1ccc(Br)cc1[*:1])NC(C)=O
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 CC(=O)N[*:1] CC(=O)Nc1cc(cc(c1)[*:1])C(=O)Nc1ccc(Br)cc1C(=O)[O-]
CCN1CCc2nc(NC(=O)[C@@H](C)NC(=O)c3ccco3)sc2C1 c1coc(c1)[*:1] CCN1CCc2nc(NC(=O)[C@@H](C)NC(=O)[*:1])sc2C1
CCN1CCc2nc(NC(=O)[C@@H](C)NC(=O)c3ccco3)sc2C1 O=C(N[*:1])c1ccco1 CCN1CCc2nc(NC(=O)[C@@H](C)[*:1])sc2C1
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)COC2)c1cccc(F)c1 c1cc2COCc2cc1[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1cccc(F)c1
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)COC2)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2COCc2c1)[*:1]
O=C([O-])COc1ccccc1/C=C1\C(=O)Nc2ccccc21 O=C([O-])C[*:1] O=C1Nc2ccccc2/C1=C/c1ccccc1O[*:1]
O=C([O-])COc1ccccc1/C=C1\C(=O)Nc2ccccc21 O=C([O-])[*:1] O=C1Nc2ccccc2/C1=C/c1ccccc1OC[*:1]
O=C([O-])COc1ccccc1/C=C1\C(=O)Nc2ccccc21 O=C([O-])CO[*:1] O=C1Nc2ccccc2/C1=C/c1ccccc1[*:1]
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@@](C)(O)CCC(C)C CC(C)[*:1] CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@@](C)(O)CC[*:1]
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@@](C)(O)CCC(C)C CC(C)CC[*:1] CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@@](C)(O)[*:1]
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@@](C)(O)CCC(C)C CC(C)C[*:1] CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@@](C)(O)C[*:1]
COc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1 c1ccc(cc1)[*:1] COc1cc(/C=C(\C#N)[*:1])cc(c1)OC
CCC[C@H]1CN(C(=O)c2ncccc2OCC(F)(F)F)CCO1 FC(F)(F)[*:1] CCC[C@H]1CN(CCO1)C(=O)c1ncccc1OC[*:1]
CCC[C@H]1CN(C(=O)c2ncccc2OCC(F)(F)F)CCO1 FC(F)(F)CO[*:1] CCC[C@H]1CN(CCO1)C(=O)c1ncccc1[*:1]
CCC[C@H]1CN(C(=O)c2ncccc2OCC(F)(F)F)CCO1 FC(F)(F)C[*:1] CCC[C@H]1CN(CCO1)C(=O)c1ncccc1O[*:1]
CCC[C@H]1CN(C(=O)c2ncccc2OCC(F)(F)F)CCO1 CCC[*:1] O=C(c1ncccc1OCC(F)(F)F)N1CCO[C@H](C1)[*:1]
NC(=O)C[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 NC(=O)[*:1] O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H](C1)C[*:1]
NC(=O)C[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 NC(=O)C[*:1] O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H](C1)[*:1]
NC(=O)C[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] NC(=O)C[C@H]1CCCN(C1)c1ncc(Br)cc1[*:1]
CCCC(=O)Nc1ccc(CC(N)=O)cc1 CCC[*:1] NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(CC(N)=O)cc1 NC(=O)[*:1] CCCC(=O)Nc1ccc(cc1)C[*:1]
CCCC(=O)Nc1ccc(CC(N)=O)cc1 NC(=O)C[*:1] CCCC(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)CC1CCOCC1 C1CC(CCO1)[*:1] CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)C[*:1]
CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)CC1CCOCC1 CC(C)[C@@H](O)[*:1] C[C@H](CC1CCOCC1)[NH2+]CC(C)(C)[*:1]
CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)CC1CCOCC1 CC(C)[*:1] C[C@H](CC1CCOCC1)[NH2+]CC(C)(C)[C@H](O)[*:1]
O=C(N[C@H](CO)c1ccco1)c1cc2c(s1)-c1ccccc1CC2 c1coc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1cc2CCc3ccccc3-c2s1
CCC1(CNC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)CCC1 CC(C)N(C)S(=O)(=O)[*:1] CCC1(CCC1)CNC(=O)c1ccc(cc1)[*:1]
CCC1(CNC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)CCC1 CC(C)[*:1] CCC1(CCC1)CNC(=O)c1ccc(cc1)S(=O)(=O)N(C)[*:1]
CCC1(CNC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)CCC1 CCC1(CCC1)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CCC1(CNC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)CCC1 CCC1(CCC1)C[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
COC(=O)c1ccc(C)c(NC(=O)C[S@@](=O)c2ccc(C)cn2)c1 Cc1ccc(nc1)[*:1] COC(=O)c1ccc(C)c(c1)NC(=O)C[S@@](=O)[*:1]
COC(=O)c1ccc(C)c(NC(=O)C[S@@](=O)c2ccc(C)cn2)c1 COC(=O)[*:1] Cc1ccc(nc1)[S@](=O)CC(=O)Nc1cc(ccc1C)[*:1]
Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)s1 O=S(=O)(N1CCCC1)[*:1] Cc1nnc(NC(=O)c2cc(ccc2O)[*:1])s1
Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)s1 Cc1nnc(s1)[*:1] O=C(N[*:1])c1cc(ccc1O)S(=O)(=O)N1CCCC1
Cc1cc(C(=O)NCCc2ccc(F)cc2C)[nH]n1 Cc1cc([nH]n1)[*:1] Cc1cc(F)ccc1CCNC(=O)[*:1]
O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N(C1CCCCC1)C1CC1 C1CCC(CC1)[*:1] O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N(C1CC1)[*:1]
O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N(C1CCCCC1)C1CC1 C1CC1[*:1] O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N(C1CCCCC1)[*:1]
C[NH+](CCN1CCCC1=O)CC(=O)Nc1cc(F)cc(F)c1 O=C1CCCN1[*:1] C[NH+](CC[*:1])CC(=O)Nc1cc(F)cc(F)c1
C[NH+](CCN1CCCC1=O)CC(=O)Nc1cc(F)cc(F)c1 O=C1CCCN1C[*:1] C[NH+](CC(=O)Nc1cc(F)cc(F)c1)C[*:1]
CCc1nsc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)n1 CCc1nsc(n1)[*:1] c1ccc(cc1)-n1cc(cn1)CN1CCN(CC1)[*:1]
CCc1nsc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)n1 c1ccc(cc1)[*:1] CCc1nsc(n1)N1CCN(CC1)Cc1cnn(c1)[*:1]
CC[C@H](C)NC(=O)c1nnn(-c2nc(-c3ccccc3)cs2)c1C c1ccc(cc1)[*:1] CC[C@H](C)NC(=O)c1nnn(-c2nc(cs2)[*:1])c1C
CC[C@H](C)NC(=O)c1nnn(-c2nc(-c3ccccc3)cs2)c1C CC[C@H](C)[*:1] Cc1c(nnn1-c1nc(cs1)-c1ccccc1)C(=O)N[*:1]
CC[C@H](C)NC(=O)c1nnn(-c2nc(-c3ccccc3)cs2)c1C CC[C@H](C)NC(=O)[*:1] Cc1c(nnn1-c1nc(cs1)-c1ccccc1)[*:1]
Cc1ccc(/C=C\S(=O)(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1)NC1CCN(CC1)S(=O)(=O)C=C[*:1]
Cc1ccc(/C=C\S(=O)(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(/C=C\S(=O)(=O)N2CCC(CC2)NC(=O)N[*:1])cc1
Cc1ccc(/C=C\S(=O)(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 Cc1ccc(C=C[*:1])cc1 O=C(Nc1ccccc1)NC1CCN(CC1)S(=O)(=O)[*:1]
CCN(c1cccc(C)c1)c1ncnc(Nc2cccc(C(C)=O)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(c1cccc(C)c1)c1ncnc(Nc2cccc(c2)C(C)=O)c1[*:1]
CCN(c1cccc(C)c1)c1ncnc(Nc2cccc(C(C)=O)c2)c1[N+](=O)[O-] Cc1cccc(c1)[*:1] CCN(c1ncnc(Nc2cccc(c2)C(C)=O)c1[N+](=O)[O-])[*:1]
CCN(c1cccc(C)c1)c1ncnc(Nc2cccc(C(C)=O)c2)c1[N+](=O)[O-] CC(=O)[*:1] CCN(c1cccc(C)c1)c1ncnc(Nc2cccc(c2)[*:1])c1[N+](=O)[O-]
CCN(c1cccc(C)c1)c1ncnc(Nc2cccc(C(C)=O)c2)c1[N+](=O)[O-] CC(=O)c1cccc(c1)[*:1] CCN(c1cccc(C)c1)c1ncnc(N[*:1])c1[N+](=O)[O-]
O=C(CSCc1nccn1C(F)F)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(CSCc1nccn1C(F)F)N[*:1]
O=C(CSCc1nccn1C(F)F)NC[C@@H]1CCCO1 FC(F)[*:1] O=C(CSCc1nccn1[*:1])NC[C@@H]1CCCO1
O=C(CSCc1nccn1C(F)F)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(CSCc1nccn1C(F)F)NC[*:1]
O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)[N+](=O)[O-])NC[C@@H]1CCN(C1)[*:1]
O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN(c2ccccc2)C1 O=[N+]([O-])[*:1] O=C(NCc1ccc(cc1)[*:1])NC[C@@H]1CCN(C1)c1ccccc1
Cc1cc(NC(=O)c2cccnc2)cc(C(=O)[O-])c1O O=C([O-])[*:1] Cc1cc(cc(c1O)[*:1])NC(=O)c1cccnc1
Cc1cc(NC(=O)c2cccnc2)cc(C(=O)[O-])c1O c1cncc(c1)[*:1] Cc1cc(cc(C(=O)[O-])c1O)NC(=O)[*:1]
O=C(NCc1cccc(C(F)(F)F)c1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 c1cncc(c1)[*:1] O=C(NCc1cccc(c1)C(F)(F)F)c1nnn(-c2ccc(Cl)cc2)c1[*:1]
O=C(NCc1cccc(C(F)(F)F)c1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 FC(F)(F)[*:1] O=C(NCc1cccc(c1)[*:1])c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1
O=C(NCc1cccc(C(F)(F)F)c1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 Clc1ccc(cc1)[*:1] O=C(NCc1cccc(c1)C(F)(F)F)c1nnn(c1-c1cccnc1)[*:1]
O=C(NCc1cccc(C(F)(F)F)c1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 FC(F)(F)c1cccc(c1)[*:1] O=C(NC[*:1])c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1
COc1ccc([C@@H]2CCN(C(=O)C3CCCC3)C2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)[C@@H]1CCN(C1)C(=O)[*:1]
O=C(NCC(=O)N1CCN(c2ccccc2O)CC1)C1CCCCC1 Oc1ccccc1[*:1] O=C(NCC(=O)N1CCN(CC1)[*:1])C1CCCCC1
O=C(NCC(=O)N1CCN(c2ccccc2O)CC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1ccccc1O
C=CCC(=O)N[C@@](C)(CC)C(=O)[O-] C=CC[*:1] CC[C@](C)(NC(=O)[*:1])C(=O)[O-]
C=CCC(=O)N[C@@](C)(CC)C(=O)[O-] O=C([O-])[*:1] C=CCC(=O)N[C@@](C)(CC)[*:1]
C[C@@H](C(=O)NOCc1ccccc1)n1c(=O)oc2ccccc21 c1ccc(cc1)[*:1] C[C@@H](C(=O)NOC[*:1])n1c(=O)oc2ccccc21
C[C@@H](C(=O)NOCc1ccccc1)n1c(=O)oc2ccccc21 c1ccc(cc1)C[*:1] C[C@@H](C(=O)NO[*:1])n1c(=O)oc2ccccc21
Cc1ccccc1CS(=O)(=O)CCC(=O)N1CCc2sccc2C1 Cc1ccccc1[*:1] O=C(CCS(=O)(=O)C[*:1])N1CCc2sccc2C1
Cc1ccccc1CS(=O)(=O)CCC(=O)N1CCc2sccc2C1 Cc1ccccc1C[*:1] O=C(CCS(=O)(=O)[*:1])N1CCc2sccc2C1
CC[NH+]1CCN(CCCNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CCCNC(=O)C2=NN(C(=O)[C@H](C)N2)[*:1])CC1
COc1cc([C@@H](C)NC(=O)Nc2c(F)cccc2F)ccc1OCCO OCCO[*:1] COc1cc(ccc1[*:1])[C@@H](C)NC(=O)Nc1c(F)cccc1F
COc1cc([C@@H](C)NC(=O)Nc2c(F)cccc2F)ccc1OCCO Fc1cccc(F)c1[*:1] COc1cc(ccc1OCCO)[C@@H](C)NC(=O)N[*:1]
COc1cc([C@@H](C)NC(=O)Nc2c(F)cccc2F)ccc1OCCO OCC[*:1] COc1cc(ccc1O[*:1])[C@@H](C)NC(=O)Nc1c(F)cccc1F
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1ccncc1 CC(C)(C)[*:1] O=C(Nc1ccncc1)[C@@H]1CSCN1C(=O)[*:1]
CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N[*:1]
CC[C@H](C)CC1=C2C(=O)N=C(CSCc3ccc(C#N)cc3)N=C2S[C@H]1C N#Cc1ccc(cc1)[*:1] CC[C@H](C)CC1=C2C(=O)N=C(CSC[*:1])N=C2S[C@H]1C
CC[C@H](C)CC1=C2C(=O)N=C(CSCc3ccc(C#N)cc3)N=C2S[C@H]1C CC[C@H](C)C[*:1] C[C@@H]1SC2=NC(CSCc3ccc(C#N)cc3)=NC(=O)C2=C1[*:1]
CC[C@H](C)CC1=C2C(=O)N=C(CSCc3ccc(C#N)cc3)N=C2S[C@H]1C CC[C@H](C)[*:1] C[C@@H]1SC2=NC(CSCc3ccc(C#N)cc3)=NC(=O)C2=C1C[*:1]
CC[C@H](C)CC1=C2C(=O)N=C(CSCc3ccc(C#N)cc3)N=C2S[C@H]1C N#Cc1ccc(cc1)C[*:1] CC[C@H](C)CC1=C2C(=O)N=C(CS[*:1])N=C2S[C@H]1C
C[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](CO)[NH2+]Cc1ccc(cc1)[*:1]
O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(C[NH+]1CCCCCC1)Nc1ccc(cc1)NC(=O)[C@@H]1C[C@H]1[*:1]
CC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 O=C([O-])[*:1] CC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)[*:1]
CC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 CC(=O)[*:1] O=C([O-])C1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
O=C(CC(F)(F)F)N1CCC([C@H](O)Cc2ccccc2)CC1 FC(F)(F)C[*:1] O=C(N1CCC(CC1)[C@H](O)Cc1ccccc1)[*:1]
O=C(CC(F)(F)F)N1CCC([C@H](O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CC(F)(F)F)N1CCC(CC1)[C@H](O)[*:1]
O=C(CC(F)(F)F)N1CCC([C@H](O)Cc2ccccc2)CC1 FC(F)(F)[*:1] O=C(C[*:1])N1CCC(CC1)[C@H](O)Cc1ccccc1
O=C(CC(F)(F)F)N1CCC([C@H](O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CC(F)(F)F)N1CCC(CC1)[C@H](O)C[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)cc1 CC(=O)Nc1ccc(cc1)[*:1] CC1=NS(=O)(=O)c2cc(ccc2N1CC(C)C)C(=O)N[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)cc1 CC(=O)N[*:1] CC1=NS(=O)(=O)c2cc(ccc2N1CC(C)C)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2C[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)cc1 CC(C)C[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2[*:1]
O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 c1cc2OCOc2cc1[*:1] O=C(N1CCC[C@H](C1)c1nnc(o1)-c1cccs1)[*:1]
O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 c1csc(c1)[*:1] O=C(c1ccc2OCOc2c1)N1CCC[C@H](C1)c1nnc(o1)[*:1]
Cc1cc(=O)oc2cc(NC(=S)N3CCC(Cc4ccccc4)CC3)ccc12 c1ccc(cc1)C[*:1] Cc1cc(=O)oc2cc(ccc12)NC(=S)N1CCC(CC1)[*:1]
Cc1cc(=O)oc2cc(NC(=S)N3CCC(Cc4ccccc4)CC3)ccc12 c1ccc(cc1)[*:1] Cc1cc(=O)oc2cc(ccc12)NC(=S)N1CCC(CC1)C[*:1]
O[C@@H](C[C@@H]1COCCN1Cc1ccc(-n2cncn2)cc1)c1ccco1 c1ncn(n1)[*:1] O[C@@H](C[C@@H]1COCCN1Cc1ccc(cc1)[*:1])c1ccco1
O[C@@H](C[C@@H]1COCCN1Cc1ccc(-n2cncn2)cc1)c1ccco1 c1coc(c1)[*:1] O[C@@H](C[C@@H]1COCCN1Cc1ccc(cc1)-n1cncn1)[*:1]
C[C@H](Oc1ccccc1)/C([O-])=N/S(=O)(=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@H](O[*:1])/C([O-])=N/S(=O)(=O)c1ccc(Cl)cc1
C[C@H](Oc1ccccc1)/C([O-])=N/S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](Oc1ccccc1)/C([O-])=N/S(=O)(=O)[*:1]
C[C@H](Oc1ccccc1)/C([O-])=N/S(=O)(=O)c1ccc(Cl)cc1 c1ccc(cc1)O[*:1] C[C@H](/C([O-])=N/S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CCc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Br)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)[C@@H](C)Nc1ncc(cc1Br)[*:1]
C[C@@H]1CCC[C@@H](CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](CC(=O)NNC(=O)C(=O)NC[*:1])C1
C[C@@H]1CCC[C@@H](CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C1 Clc1ccc(cc1)C[*:1] C[C@@H]1CCC[C@@H](CC(=O)NNC(=O)C(=O)N[*:1])C1
CC(C)[NH2+]Cc1cc(Br)ccc1OC[C@H]1CCCO1 CC(C)[*:1] Brc1ccc(OC[C@H]2CCCO2)c(c1)C[NH2+][*:1]
CC(C)[NH2+]Cc1cc(Br)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC(C)[NH2+]Cc1cc(Br)ccc1O[*:1]
CC(C)[NH2+]Cc1cc(Br)ccc1OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(C)[NH2+]Cc1cc(Br)ccc1OC[*:1]
Cc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C(CS[C@@H]1CC(=O)N(C1=O)c1ccccc1)N[*:1]
Cc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)CS[C@@H]1CC(=O)N(C1=O)[*:1]
C[C@@H]([NH2+][C@H](C)c1cccc(OCC(=O)N(C)C)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1cccc(c1)OCC(=O)N(C)C
C[C@@H]([NH2+][C@H](C)c1cccc(OCC(=O)N(C)C)c1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] C[C@@H]([NH2+][*:1])c1cccc(c1)OCC(=O)N(C)C
C[C@@H]([NH2+][C@H](C)c1cccc(OCC(=O)N(C)C)c1)c1ccccc1 CN(C)C(=O)CO[*:1] C[C@@H]([NH2+][C@H](C)c1cccc(c1)[*:1])c1ccccc1
C[C@@H]([NH2+][C@H](C)c1cccc(OCC(=O)N(C)C)c1)c1ccccc1 CN(C)C(=O)C[*:1] C[C@@H]([NH2+][C@H](C)c1cccc(c1)O[*:1])c1ccccc1
C[C@@H]([NH2+][C@H](C)c1cccc(OCC(=O)N(C)C)c1)c1ccccc1 CN(C)C(=O)[*:1] C[C@@H]([NH2+][C@H](C)c1cccc(c1)OC[*:1])c1ccccc1
Cc1ccc(NC2=NCC(=O)N2Cc2ccc3c(c2)OCO3)cc1 Cc1ccc(cc1)[*:1] O=C1CN=C(N[*:1])N1Cc1ccc2OCOc2c1
CC[C@H](NC(=O)N1CCCCC[C@H]1c1ccc(C)o1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)N1CCCCC[C@H]1c1ccc(C)o1)[*:1]
CC[C@H](NC(=O)N1CCCCC[C@H]1c1ccc(C)o1)c1c(C)nn(C)c1C Cc1ccc(o1)[*:1] CC[C@H](NC(=O)N1CCCCC[C@@H]1[*:1])c1c(C)nn(C)c1C
Cn1cc(/C=C/C(=O)N2CC[NH+](C3CC3)CC2)c2ccccc21 C1CC1[*:1] Cn1cc(/C=C/C(=O)N2CC[NH+](CC2)[*:1])c2ccccc21
Cc1c(C(=O)Nc2cccc(Cl)c2Cl)nnn1-c1ccc2ncccc2c1 Clc1cccc(c1Cl)[*:1] Cc1c(nnn1-c1ccc2ncccc2c1)C(=O)N[*:1]
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl O=C(N1CCCCC1)[*:1] COc1ccccc1[N-]S(=O)(=O)c1cc(ccc1Cl)[*:1]
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl COc1ccccc1[*:1] O=C(c1ccc(Cl)c(c1)S(=O)(=O)[N-][*:1])N1CCCCC1
CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCN(C(C)=O)CC1 c1ccc(cc1)C[*:1] CCN(C(=O)[C@H](C)N1CCN(CC1)C(C)=O)[*:1]
CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCN(C(C)=O)CC1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)[C@H](C)N1CCN(CC1)C(C)=O
CCOC(=O)C1=C(C)N=C(C)[C@@H]1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 CCOC(=O)[*:1] CC1=NC(C)=C([C@H]1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1)[*:1]
CCOC(=O)C1=C(C)N=C(C)[C@@H]1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 O=C(Nc1ccccc1)[*:1] CCOC(=O)C1=C(C)N=C(C)[C@@H]1S(=O)(=O)N1CCC(CC1)[*:1]
CCOC(=O)C1=C(C)N=C(C)[C@@H]1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N=C(C)[C@@H]1S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
O=C1[NH+]=c2ccccc2=[NH+][C@H]1Nc1ccccc1 c1ccc(cc1)[*:1] O=C1[NH+]=c2ccccc2=[NH+][C@H]1N[*:1]
CCOCCCNC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 CCO[*:1] O=C(NCCC[*:1])N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
CCOCCCNC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 CCOCCC[*:1] O=C(N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)N[*:1]
CCOCCCNC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 CCOCC[*:1] O=C(NC[*:1])N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
CCOCCCNC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 CCOC[*:1] O=C(NCC[*:1])N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCCC(c1ccccc1)[*:1]
N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 N#Cc1ccc(Cl)cc1[*:1] O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)N[*:1]
C[NH+](C)Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3 N#CC[*:1] C[NH+](C)Cc1nc2sc3CCCCc3c2c(=O)n1[*:1]
CCOc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1 CCO[*:1] C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
Cc1csc([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)n2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)[C@H](C)[NH2+]Cc1cnn(n1)[*:1]
Cc1csc([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)n2)n1 Cc1csc(n1)[*:1] C[C@H]([NH2+]Cc1cnn(n1)-c1ccccc1)[*:1]
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Oc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[*:1]
O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cccn2)nc1 O=C1CCCN1[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccc(nc1)-n1cccn1
O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc(-n2cccn2)nc1 c1cnn(c1)[*:1] O=C(Oc1ccc(cc1)N1CCCC1=O)c1ccc(nc1)[*:1]
O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCCc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] O=C(CN1C(=O)C(=O)N(C1=O)C1CCCC1)NCC[*:1]
O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCCc1ccc(Cl)cc1Cl C1CCC(C1)[*:1] O=C(CN1C(=O)C(=O)N(C1=O)[*:1])NCCc1ccc(Cl)cc1Cl
O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCCc1ccc(Cl)cc1Cl Clc1ccc(C[*:1])c(Cl)c1 O=C(CN1C(=O)C(=O)N(C1=O)C1CCCC1)NC[*:1]
COc1ccc(N(C(=O)C2CCOCC2)C(C)C)cc1F C1CC(CCO1)[*:1] COc1ccc(cc1F)N(C(=O)[*:1])C(C)C
COc1ccc(N(C(=O)C2CCOCC2)C(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)N(C(=O)C1CCOCC1)[*:1]
CC(C)OC(=O)[C@@H](C)N[C@@H]1N=NC(=S)NC1=O CC(C)[*:1] C[C@@H](N[C@@H]1N=NC(=S)NC1=O)C(=O)O[*:1]
CC(C)OCC[NH+]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 CC(C)OC[*:1] Fc1cccc(F)c1-c1n[nH]cc1CN1CC[NH+](CC1)C[*:1]
CC(C)OCC[NH+]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 CC(C)O[*:1] Fc1cccc(F)c1-c1n[nH]cc1CN1CC[NH+](CC1)CC[*:1]
CC(C)OCC[NH+]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 Fc1cccc(F)c1[*:1] CC(C)OCC[NH+]1CCN(CC1)Cc1c[nH]nc1[*:1]
CC(C)OCC[NH+]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 CC(C)[*:1] Fc1cccc(F)c1-c1n[nH]cc1CN1CC[NH+](CCO[*:1])CC1
CC(C)OCC[NH+]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)CC1 CC(C)OCC[*:1] Fc1cccc(F)c1-c1n[nH]cc1CN1CC[NH+](CC1)[*:1]
O=C(/C=C/c1cc2ccccc2o1)N[C@H](CO)Cc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(/C=C/c1cc2ccccc2o1)N[C@H](CO)C[*:1]
O=C(/C=C/c1cc2ccccc2o1)N[C@H](CO)Cc1c[nH]c2ccccc12 c1ccc2oc(cc2c1)[*:1] O=C(C=C[*:1])N[C@H](CO)Cc1c[nH]c2ccccc12
C[NH+](C)C[C@@H]1CSCCCN1C(=O)C1CCC1 C1CC(C1)[*:1] C[NH+](C)C[C@@H]1CSCCCN1C(=O)[*:1]
CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1 Clc1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)CN(C[*:1])S(C)(=O)=O
CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1 Clc1ccc(cc1)C[*:1] CCOC(=O)N1CCN(CC1)C(=O)CN(S(C)(=O)=O)[*:1]
CCCCC(=O)Cc1ccc(OC)nc1 CCC[*:1] COc1ccc(cn1)CC(=O)C[*:1]
CCCCC(=O)Cc1ccc(OC)nc1 CCCC[*:1] COc1ccc(cn1)CC(=O)[*:1]
CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccccc1F COC(=O)[*:1] CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C([C@@H]1c1ccccc1F)[*:1]
CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccccc1F CCOC(=O)[*:1] COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C([C@H]1c1ccccc1F)[*:1]
CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@H]1[*:1]
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)OCCO3)cc1 CC(=O)N[*:1] C[C@H](OC(=O)c1ccc2OCCOc2c1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Cc1ccccc1)n1c(=S)[nH]c2cc(Br)cnc21 c1ccc(cc1)[*:1] C[C@@H](C[*:1])n1c(=S)[nH]c2cc(Br)cnc21
C[C@@H](OC(=O)c1ccccc1Oc1cccnc1)[C@H]1CCOC1 c1cncc(c1)[*:1] C[C@@H](OC(=O)c1ccccc1O[*:1])[C@H]1CCOC1
C[C@@H](OC(=O)c1ccccc1Oc1cccnc1)[C@H]1CCOC1 c1cncc(c1)O[*:1] C[C@@H](OC(=O)c1ccccc1[*:1])[C@H]1CCOC1
O[C@H](CSc1ccc(F)cc1)[C@H]1CCCc2cccnc21 Fc1ccc(cc1)[*:1] O[C@H](CS[*:1])[C@H]1CCCc2cccnc21
CC1(C)CN(CCOc2ccc(S(C)(=O)=O)cc2)CC[S@@]1=O CS(=O)(=O)[*:1] CC1(C)CN(CCOc2ccc(cc2)[*:1])CC[S@@]1=O
CC[C@H]1CCCCN1c1ncnc(Nc2cc(C)cc(C)c2)c1N Cc1cc(C)cc(c1)[*:1] CC[C@H]1CCCCN1c1ncnc(N[*:1])c1N
CC[C@H]1CCCCN1c1ncnc(Nc2cc(C)cc(C)c2)c1N CC[C@H]1CCCCN1[*:1] Cc1cc(C)cc(c1)Nc1ncnc(c1N)[*:1]
Cn1nc(C2CC2)cc1C(=O)N[C@@H](CC[NH+](C)C)c1ccc(F)cc1 C1CC1[*:1] Cn1nc(cc1C(=O)N[C@@H](CC[NH+](C)C)c1ccc(F)cc1)[*:1]
Cn1nc(C2CC2)cc1C(=O)N[C@@H](CC[NH+](C)C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1nc(cc1C(=O)N[C@@H](CC[NH+](C)C)[*:1])C1CC1
O=C1CCCN1C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cccc(C(F)(F)F)c1 O=C1CCCN1C[*:1] FC(F)(F)c1cccc(c1)[C@@H]([NH2+]Cc1cccc2OCOc12)[*:1]
O=C1CCCN1C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cccc(C(F)(F)F)c1 c1cc2OCOc2c(c1)[*:1] O=C1CCCN1C[C@H]([NH2+]C[*:1])c1cccc(c1)C(F)(F)F
O=C1CCCN1C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1CCCN1C[C@H]([NH2+]Cc1cccc2OCOc12)c1cccc(c1)[*:1]
O=C1CCCN1C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cccc(C(F)(F)F)c1 O=C1CCCN1[*:1] FC(F)(F)c1cccc(c1)[C@H](C[*:1])[NH2+]Cc1cccc2OCOc12
CN(C)c1cc(C(F)(F)F)cc(-c2cccc(/C=C/C(=O)[O-])c2)n1 FC(F)(F)[*:1] CN(C)c1cc(cc(n1)-c1cccc(/C=C/C(=O)[O-])c1)[*:1]
CN(C)c1cc(C(F)(F)F)cc(-c2cccc(/C=C/C(=O)[O-])c2)n1 O=C([O-])[*:1] CN(C)c1cc(cc(n1)-c1cccc(C=C[*:1])c1)C(F)(F)F
CN(C)c1cc(C(F)(F)F)cc(-c2cccc(/C=C/C(=O)[O-])c2)n1 CN(C)[*:1] O=C([O-])/C=C/c1cccc(c1)-c1cc(cc(n1)[*:1])C(F)(F)F
CN(C)c1cc(C(F)(F)F)cc(-c2cccc(/C=C/C(=O)[O-])c2)n1 O=C([O-])C=C[*:1] CN(C)c1cc(cc(n1)-c1cccc(c1)[*:1])C(F)(F)F
Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@H](C)C(=O)NC(=O)N[*:1]
CCC[C@@H](C[NH3+])C(O)(CC)CC CCC[*:1] CCC(O)(CC)[C@H](C[NH3+])[*:1]
COC(=O)C[C@@H](NC(=O)[C@@H](C)SC)C1CC1 CS[C@H](C)[*:1] COC(=O)C[C@@H](NC(=O)[*:1])C1CC1
COC(=O)C[C@@H](NC(=O)[C@@H](C)SC)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)[C@@H](C)SC)[*:1]
COC(=O)C[C@@H](NC(=O)[C@@H](C)SC)C1CC1 COC(=O)C[*:1] CS[C@H](C)C(=O)N[C@@H](C1CC1)[*:1]
COC(=O)C[C@@H](NC(=O)[C@@H](C)SC)C1CC1 COC(=O)[*:1] CS[C@H](C)C(=O)N[C@H](C[*:1])C1CC1
C/C(=C/C(=O)N[C@H](C)c1ncc(C)s1)c1ccc(F)cc1F Cc1cnc(s1)[*:1] C/C(=C/C(=O)N[C@H](C)[*:1])c1ccc(F)cc1F
C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1n[nH]c(=O)[nH]1 O=c1[nH]nc(C[*:1])[nH]1 C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1[*:1]
C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1n[nH]c(=O)[nH]1 O=c1[nH]nc([nH]1)[*:1] C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C[*:1]
C[C@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1n[nH]c(=O)[nH]1 c1ccc(cc1)[*:1] C[C@H]1CO[C@@H]([C@H](C)N1Cc1n[nH]c(=O)[nH]1)[*:1]
CCC[NH2+][C@@H](c1cscc1Br)c1c(F)cccc1F CCC[*:1] Fc1cccc(F)c1[C@@H]([NH2+][*:1])c1cscc1Br
CCC[NH2+][C@@H](c1cscc1Br)c1c(F)cccc1F Brc1cscc1[*:1] CCC[NH2+][C@@H](c1c(F)cccc1F)[*:1]
Cc1cccn2c(=O)c(C(=O)O[C@@H]3CCC[C@H]3n3cccn3)cnc12 c1cnn(c1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)O[C@@H]1CCC[C@@H]1[*:1]
C=CCN1C(SCc2nc3ccccc3c(=O)[nH]2)=NN[C@H]1c1ccc2c(c1)OCO2 C=CC[*:1] O=c1[nH]c(CSC2=NN[C@@H](c3ccc4OCOc4c3)N2[*:1])nc2ccccc12
C=CCN1C(SCc2nc3ccccc3c(=O)[nH]2)=NN[C@H]1c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C=CCN1C(=NN[C@@H]1[*:1])SCc1nc2ccccc2c(=O)[nH]1
C[C@H]1C[NH2+]C[C@@H](CC(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1C[NH2+]C[C@H](C1)C[*:1]
Cc1cccnc1Nc1ncnc(Nc2nccs2)c1N Cc1cccnc1[*:1] Nc1c(ncnc1N[*:1])Nc1nccs1
Cc1cccnc1Nc1ncnc(Nc2nccs2)c1N c1csc(n1)[*:1] Cc1cccnc1Nc1ncnc(N[*:1])c1N
Cc1cccnc1Nc1ncnc(Nc2nccs2)c1N c1csc(n1)N[*:1] Cc1cccnc1Nc1ncnc(c1N)[*:1]
NS(=O)(=O)CC1CC[NH+](CCOc2cccc3ccccc23)CC1 NS(=O)(=O)[*:1] c1ccc2c(cccc2c1)OCC[NH+]1CCC(CC1)C[*:1]
NS(=O)(=O)CC1CC[NH+](CCOc2cccc3ccccc23)CC1 NS(=O)(=O)C[*:1] c1ccc2c(cccc2c1)OCC[NH+]1CCC(CC1)[*:1]
O=C1CCCN1C(=O)CSc1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] O=C1CCCN1C(=O)CSc1ccc(cn1)[*:1]
CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CC)c2)c1 CCNS(=O)(=O)[*:1] CCc1cccc(c1)NC(=O)c1cccc(c1)[*:1]
CCC(CC)NC(=O)N(CC)Cc1ccc(C(=O)N(C)C)cc1 CCC(CC)[*:1] CCN(Cc1ccc(cc1)C(=O)N(C)C)C(=O)N[*:1]
CCC(CC)NC(=O)N(CC)Cc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CCC(CC)NC(=O)N(CC)Cc1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1cc(NC(=O)C2CCCCC2)ccc1Cl CN(C)S(=O)(=O)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])C1CCCCC1
CN(C)S(=O)(=O)c1cc(NC(=O)C2CCCCC2)ccc1Cl C1CCC(CC1)[*:1] CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)[*:1]
CCc1cccc(NC(=O)N(C)[C@H](C)CSC)c1 CSC[*:1] CCc1cccc(c1)NC(=O)N(C)[C@H](C)[*:1]
COc1ccc(OC)c(/C=C\C(=O)c2cnn(C)c2)c1 Cn1cc(cn1)[*:1] COc1ccc(OC)c(/C=C\C(=O)[*:1])c1
COc1cccc(C(=O)Nc2ccc(F)cc2F)c1OC(F)F FC(F)O[*:1] COc1cccc(C(=O)Nc2ccc(F)cc2F)c1[*:1]
COc1cccc(C(=O)Nc2ccc(F)cc2F)c1OC(F)F FC(F)[*:1] COc1cccc(C(=O)Nc2ccc(F)cc2F)c1O[*:1]
C[C@H](C1CC1)N(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CC1 C[C@H](C1CC1)[*:1] O=C(c1ccc(cc1)OC[C@H]1CCCO1)N(C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CC1 C1CO[C@H](C1)CO[*:1] C[C@H](C1CC1)N(C(=O)c1ccc(cc1)[*:1])C1CC1
C[C@H](C1CC1)N(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CC1 C1CO[C@H](C1)[*:1] C[C@H](C1CC1)N(C(=O)c1ccc(cc1)OC[*:1])C1CC1
C[C@H](C1CC1)N(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CC1 C1CC1[*:1] C[C@H](N(C(=O)c1ccc(cc1)OC[C@H]1CCCO1)C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CC1 C1CO[C@H](C1)C[*:1] C[C@H](C1CC1)N(C(=O)c1ccc(cc1)O[*:1])C1CC1
C[C@H](C1CC1)N(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CC1 C1CC1[*:1] C[C@H](C1CC1)N(C(=O)c1ccc(cc1)OC[C@H]1CCCO1)[*:1]
N#CCCCSc1nnc(NC2CC2)s1 N#CC[*:1] C(C[*:1])Sc1nnc(NC2CC2)s1
N#CCCCSc1nnc(NC2CC2)s1 N#CCCC[*:1] C1CC1Nc1nnc(S[*:1])s1
N#CCCCSc1nnc(NC2CC2)s1 N#CCC[*:1] C1CC1Nc1nnc(SC[*:1])s1
N#CCCCSc1nnc(NC2CC2)s1 C1CC1N[*:1] N#CCCCSc1nnc(s1)[*:1]
N#CCCCSc1nnc(NC2CC2)s1 C1CC1[*:1] N#CCCCSc1nnc(N[*:1])s1
O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1 O=C(c1ccccc1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccccc1O
O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)C(=O)[*:1])N1CCN(CC1)c1ccccc1O
O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1 Oc1ccccc1[*:1] O=C(c1ccccc1)c1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
Cc1cc(C(=O)COc2cccc(Oc3ccccc3)c2)c(C)n1[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)O[*:1] Cc1cc(C(=O)COc2cccc(c2)[*:1])c(C)n1[C@H]1CCS(=O)(=O)C1
Cc1cc(C(=O)COc2cccc(Oc3ccccc3)c2)c(C)n1[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] Cc1cc(C(=O)COc2cccc(c2)O[*:1])c(C)n1[C@H]1CCS(=O)(=O)C1
C[C@@H]1C[C@]2(C[NH+]=C(N)N2CC2CC2)CS1 C1CC1[*:1] C[C@@H]1C[C@]2(C[NH+]=C(N)N2C[*:1])CS1
C[C@@H]1C[C@]2(C[NH+]=C(N)N2CC2CC2)CS1 C1CC1C[*:1] C[C@@H]1C[C@]2(C[NH+]=C(N)N2[*:1])CS1
COCc1ccc(-c2ccc(OC3CCN(C(C)=O)CC3)cc2)cc1 COC[*:1] CC(=O)N1CCC(CC1)Oc1ccc(cc1)-c1ccc(cc1)[*:1]
O=C(C1CCOCC1)N1CCC[C@H](CCc2ccnc(Nc3ccccn3)c2)C1 c1ccc(nc1)N[*:1] O=C(C1CCOCC1)N1CCC[C@H](CCc2ccnc(c2)[*:1])C1
O=C(C1CCOCC1)N1CCC[C@H](CCc2ccnc(Nc3ccccn3)c2)C1 c1ccc(nc1)[*:1] O=C(C1CCOCC1)N1CCC[C@H](CCc2ccnc(c2)N[*:1])C1
O=C(C1CCOCC1)N1CCC[C@H](CCc2ccnc(Nc3ccccn3)c2)C1 C1CC(CCO1)[*:1] O=C(N1CCC[C@H](CCc2ccnc(c2)Nc2ccccn2)C1)[*:1]
Cc1cccc2nc(C(=O)N3CCC[C@@H](N4CCN(c5ccc(F)cc5)CC4)C3)cn12 Fc1ccc(cc1)[*:1] Cc1cccc2nc(cn12)C(=O)N1CCC[C@H](C1)N1CCN(CC1)[*:1]
Cc1cccc2nc(C(=O)N3CCC[C@@H](N4CCN(c5ccc(F)cc5)CC4)C3)cn12 Cc1cccc2nc(cn12)[*:1] O=C(N1CCC[C@H](C1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
Cc1cc(C(=O)N2CCN(Cc3cc(F)c(O)c(F)c3)CC2)on1 Cc1cc(on1)[*:1] O=C(N1CCN(CC1)Cc1cc(F)c(O)c(F)c1)[*:1]
Cc1cccc(NC(=O)CN2CCc3cc(F)ccc3C2)c1 Cc1cccc(c1)[*:1] O=C(CN1CCc2cc(F)ccc2C1)N[*:1]
COc1ccc(NC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)C(F)(F)F)N[*:1]
COc1ccc(NC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)NC(=O)NCC1CCN(CC1)C(=O)[*:1]
O=C1COc2ccc(C(=O)COC(=O)[C@H]3C[C@H](O)CN3S(=O)(=O)c3ccc(Cl)cc3)cc2N1 Clc1ccc(cc1)[*:1] O=C1COc2ccc(cc2N1)C(=O)COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)[*:1]
O=C1COc2ccc(C(=O)COC(=O)[C@H]3C[C@H](O)CN3S(=O)(=O)c3ccc(Cl)cc3)cc2N1 O=C1COc2ccc(cc2N1)[*:1] O=C(OCC(=O)[*:1])[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1
Cc1cccc([C@H](C)CNC(=O)CN2CCCOC2=O)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)CN1CCCOC1=O)[*:1]
Cc1cccc([C@H](C)CNC(=O)CN2CCCOC2=O)c1 O=C1OCCCN1[*:1] Cc1cccc(c1)[C@H](C)CNC(=O)C[*:1]
CCOc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cn1 CCO[*:1] O=c1c2ccccc2[nH]c(=S)n1-c1ccc(nc1)[*:1]
CC/[NH+]=C(/NCc1ncc(C)s1)N1CC[C@H](C[NH+]2CCCCC2)C1 Cc1cnc(C[*:1])s1 CC/[NH+]=C(/N[*:1])N1CC[C@@H](C1)C[NH+]1CCCCC1
CC/[NH+]=C(/NCc1ncc(C)s1)N1CC[C@H](C[NH+]2CCCCC2)C1 Cc1cnc(s1)[*:1] CC/[NH+]=C(/NC[*:1])N1CC[C@@H](C1)C[NH+]1CCCCC1
O=C(Nc1ccc2nc(C3CC3)oc2c1)c1n[nH]c2c1CCC2 C1CC1[*:1] O=C(Nc1ccc2nc(oc2c1)[*:1])c1n[nH]c2CCCc12
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc(Br)ccc2-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H]1C[C@H]1C(=O)Nc1cccc(c1)C(=O)Nc1cc(Br)ccc1[*:1]
CC[C@H](NC(=O)[C@H](C)c1cccc(F)c1)c1nc(C(F)(F)F)cs1 Fc1cccc(c1)[*:1] CC[C@H](NC(=O)[C@H](C)[*:1])c1nc(cs1)C(F)(F)F
CC[C@H](NC(=O)[C@H](C)c1cccc(F)c1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@H](NC(=O)[C@H](C)c1cccc(F)c1)c1nc(cs1)[*:1]
CS(=O)(=O)NC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 CS(=O)(=O)[*:1] CS(=O)(=O)NC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
CS(=O)(=O)NC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 CS(=O)(=O)N[*:1] CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)[*:1]
CS(=O)(=O)NC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CS(=O)(=O)NC1CCN(CC1)c1ccc(cc1[*:1])S(C)(=O)=O
CCOCCN(C)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 CCOC[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)N(C)C[*:1]
CCOCCN(C)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 CCO[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 CCOCC[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)N(C)[*:1]
CCOCCN(C)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 Cc1nnc(o1)[*:1] CCOCCN(C)C(=O)Nc1ccc(cc1)[*:1]
[NH3+][C@H]1C=C[C@H](C(=O)N2CCN(Cc3ccco3)CC2)C1 c1coc(c1)C[*:1] [NH3+][C@H]1C=C[C@@H](C1)C(=O)N1CCN(CC1)[*:1]
[NH3+][C@H]1C=C[C@H](C(=O)N2CCN(Cc3ccco3)CC2)C1 c1coc(c1)[*:1] [NH3+][C@H]1C=C[C@@H](C1)C(=O)N1CCN(CC1)C[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 O=C([O-])[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C[*:1])c1cccs1
C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 c1csc(c1)[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 O=C([O-])C[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](c1cccs1)[*:1]
CN([C@@H]1CCSC1)[C@@H](C[NH3+])c1cc(Cl)c2c(c1)OCCO2 C1C[C@H](CS1)[*:1] CN([C@@H](C[NH3+])c1cc(Cl)c2OCCOc2c1)[*:1]
CN([C@@H]1CCSC1)[C@@H](C[NH3+])c1cc(Cl)c2c(c1)OCCO2 CN([C@@H]1CCSC1)[*:1] [NH3+]C[C@@H](c1cc(Cl)c2OCCOc2c1)[*:1]
COc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2cc(C)on2)cc1 Cc1cc(C[*:1])no1 COc1ccc(cc1)NC(=O)[C@H](C)[S@](=O)[*:1]
COc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2cc(C)on2)cc1 Cc1cc(no1)[*:1] COc1ccc(cc1)NC(=O)[C@H](C)[S@](=O)C[*:1]
Cc1cccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1 Cc1cccc(c1)[*:1] O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
Cc1cccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
O=C(c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCCC1 O=C(N1CCCC1)[*:1] O=S(=O)(NC[C@@H]1CCCO1)c1cc(ccc1Cl)[*:1]
O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccnnc1 c1cc(cnn1)[*:1] O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[*:1]
O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccnnc1 FC(F)(F)CO[*:1] O=C(Nc1cc(Cl)ccc1[*:1])c1ccnnc1
O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccnnc1 FC(F)(F)[*:1] O=C(Nc1cc(Cl)ccc1OC[*:1])c1ccnnc1
O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccnnc1 FC(F)(F)C[*:1] O=C(Nc1cc(Cl)ccc1O[*:1])c1ccnnc1
CCC(O)(CC)CNC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1 CCC(O)(CC)[*:1] O=C(NC[*:1])[C@@H]1Cc2[nH+]c[nH]c2CN1
CCN(C)[C@H](C(=O)NCc1cccc(-c2n[nH]c(C)n2)c1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C)[C@H](C(=O)NCc1cccc(c1)-c1n[nH]c(C)n1)[*:1]
CCN(C)[C@H](C(=O)NCc1cccc(-c2n[nH]c(C)n2)c1)c1ccccc1 Cc1nc(n[nH]1)[*:1] CCN(C)[C@H](C(=O)NCc1cccc(c1)[*:1])c1ccccc1
CCN(C)[C@H](C(=O)NCc1cccc(-c2n[nH]c(C)n2)c1)c1ccccc1 CCN(C)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)[C@H](c1ccccc1)[*:1]
CCc1nn(C)cc1CNC(=O)C[C@@H](C)c1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] CCc1nn(C)cc1CNC(=O)C[C@@H](C)[*:1]
COc1ccc(CCNC(=O)C2CCN(c3ncnc4onc(C)c34)CC2)c(OC)c1 Cc1noc2ncnc(c12)[*:1] COc1ccc(CCNC(=O)C2CCN(CC2)[*:1])c(c1)OC
COc1ccc(CCNC(=O)C2CCN(c3ncnc4onc(C)c34)CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1noc2ncnc(c12)N1CCC(CC1)C(=O)NCC[*:1]
CC(C)c1cccc(NC(=O)C2CCOCC2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)[*:1])C1CCOCC1
CC(C)c1cccc(NC(=O)C2CCOCC2)c1 C1CC(CCO1)[*:1] CC(C)c1cccc(c1)NC(=O)[*:1]
Cc1ccc(NC(=O)C(=O)NCCCSc2nnc(N)s2)cc1 Nc1nnc(S[*:1])s1 Cc1ccc(cc1)NC(=O)C(=O)NCCC[*:1]
Cc1ccc(NC(=O)C(=O)NCCCSc2nnc(N)s2)cc1 Cc1ccc(cc1)[*:1] Nc1nnc(SCCCNC(=O)C(=O)N[*:1])s1
Cc1ccc(NC(=O)C(=O)NCCCSc2nnc(N)s2)cc1 Nc1nnc(s1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)NCCCS[*:1]
Cc1ccc(-n2cnnn2)cc1NCC(=O)N1CCc2sccc2C1 c1nnnn1[*:1] Cc1ccc(cc1NCC(=O)N1CCc2sccc2C1)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O O=S(=O)(N1CCCC1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)c1cn(C)c2ccc(cc2c1=O)[*:1]
O=C(c1ccccc1Br)N1CCN(c2nccn2-c2ccccc2F)CC1 Brc1ccccc1[*:1] O=C(N1CCN(CC1)c1nccn1-c1ccccc1F)[*:1]
O=C(c1ccccc1Br)N1CCN(c2nccn2-c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1ccccc1Br)N1CCN(CC1)c1nccn1[*:1]
COc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(OC)cc3OC)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(NC2=CC(=O)C[C@H](C2)[*:1])c(c1)OC
CC(C)(CCO)CNc1cc(C#N)c2ccccc2n1 OCC[*:1] CC(C)(CNc1cc(C#N)c2ccccc2n1)[*:1]
CC(C)(CCO)CNc1cc(C#N)c2ccccc2n1 CC(C)(CCO)[*:1] N#Cc1cc(nc2ccccc12)NC[*:1]
CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(C(N)=O)cc2)c(Cl)c1 CC(=O)N[*:1] NC(=O)c1ccc(/C=C/C(=O)Nc2ccc(cc2Cl)[*:1])cc1
CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(C(N)=O)cc2)c(Cl)c1 NC(=O)[*:1] CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(cc2)[*:1])c(Cl)c1
COC[C@@H](C)NC(=O)NCCC(=O)Nc1ccc(C)cn1 Cc1ccc(nc1)[*:1] COC[C@@H](C)NC(=O)NCCC(=O)N[*:1]
COC[C@@H](C)NC(=O)NCCC(=O)Nc1ccc(C)cn1 COC[*:1] Cc1ccc(nc1)NC(=O)CCNC(=O)N[C@H](C)[*:1]
COC[C@@H](C)NC(=O)NCCC(=O)Nc1ccc(C)cn1 COC[C@@H](C)[*:1] Cc1ccc(nc1)NC(=O)CCNC(=O)N[*:1]
COC[C@H](C)[NH+]1CCN(Cc2cc(C#N)n(C)c2C)CC1 COC[*:1] Cc1c(cc(C#N)n1C)CN1CC[NH+](CC1)[C@@H](C)[*:1]
CC[C@](C)(NC(=O)NCc1ccco1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)NCc1ccco1)[*:1]
CC[C@](C)(NC(=O)NCc1ccco1)C(=O)[O-] c1coc(c1)[*:1] CC[C@](C)(NC(=O)NC[*:1])C(=O)[O-]
Cc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C(CN1C(=O)COc2ccc(Cl)cc21)N[*:1]
Cc1noc(C)c1COc1ccc(CN2CCN(C(=O)[C@@H](C)O)CC2)cc1 Cc1noc(C)c1C[*:1] C[C@@H](O)C(=O)N1CCN(CC1)Cc1ccc(cc1)O[*:1]
Cc1noc(C)c1COc1ccc(CN2CCN(C(=O)[C@@H](C)O)CC2)cc1 Cc1noc(C)c1CO[*:1] C[C@@H](O)C(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1]
Cc1noc(C)c1COc1ccc(CN2CCN(C(=O)[C@@H](C)O)CC2)cc1 Cc1noc(C)c1[*:1] C[C@@H](O)C(=O)N1CCN(CC1)Cc1ccc(cc1)OC[*:1]
Cc1cc2cc(OC(C)C)ccc2[nH]1 CC(C)[*:1] Cc1cc2cc(ccc2[nH]1)O[*:1]
Cc1cc2cc(OC(C)C)ccc2[nH]1 CC(C)O[*:1] Cc1cc2cc(ccc2[nH]1)[*:1]
CCNC(=O)c1nc(-c2ccc3c(c2)OCO3)no1 CCNC(=O)[*:1] c1cc2OCOc2cc1-c1noc(n1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nnc(-c4cc(C)nn4C)o3)C2)cc1 Cc1cc(n(C)n1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1nnc(o1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nnc(-c4cc(C)nn4C)o3)C2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN(C3)S(=O)(=O)[*:1])o2)n(C)n1
Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)cc1 c1nc(c2ccsc2n1)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncnc4sccc34)cc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Nc1ccc(cc1)Oc1ncnc2sccc12)[*:1]
COCCNC(=O)C[NH2+]Cc1cccc(C)c1 COC[*:1] Cc1cccc(c1)C[NH2+]CC(=O)NC[*:1]
COCCNC(=O)C[NH2+]Cc1cccc(C)c1 COCC[*:1] Cc1cccc(c1)C[NH2+]CC(=O)N[*:1]
CSC[C@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 CSC[*:1] CC(=O)N(c1ccc(F)cc1)c1nc(cs1)C[NH2+][C@@H](C)[*:1]
CSC[C@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CSC[C@H](C)[NH2+]Cc1csc(n1)N(C(C)=O)[*:1]
N#Cc1ccc(S(=O)(=O)CCN2CC=C(c3ccccc3Cl)CC2)cc1 N#Cc1ccc(cc1)[*:1] O=S(=O)(CCN1CC=C(CC1)c1ccccc1Cl)[*:1]
N#Cc1ccc(S(=O)(=O)CCN2CC=C(c3ccccc3Cl)CC2)cc1 Clc1ccccc1[*:1] N#Cc1ccc(cc1)S(=O)(=O)CCN1CC=C(CC1)[*:1]
O=C(c1cc(F)ccc1F)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(c1cc(F)ccc1F)N1CCC[C@@H]1C[*:1]
O=C(c1cc(F)ccc1F)N1CCC[C@@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(c1cc(F)ccc1F)N1CCC[C@H]1[*:1]
CN(C[C@H]1CCCO1)C(=O)NCC(=O)N1CCc2ccccc21 C1CO[C@H](C1)[*:1] CN(C[*:1])C(=O)NCC(=O)N1CCc2ccccc21
CCC(C)(C)C(=O)N[C@@H](C)CCCC(C)C CC(C)[*:1] CCC(C)(C)C(=O)N[C@@H](C)CCC[*:1]
CCC(C)(C)C(=O)N[C@@H](C)CCCC(C)C CCC(C)(C)[*:1] CC(C)CCC[C@H](C)NC(=O)[*:1]
CCC(C)(C)C(=O)N[C@@H](C)CCCC(C)C CC(C)CC[*:1] CCC(C)(C)C(=O)N[C@@H](C)C[*:1]
CCC(C)(C)C(=O)N[C@@H](C)CCCC(C)C CC(C)C[*:1] CCC(C)(C)C(=O)N[C@@H](C)CC[*:1]
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C(=O)N1c1ccccc1 N#Cc1cccc(c1)[*:1] C[C@@H]1C[C@H](NC(=O)C(=O)N[*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C(=O)N1[*:1]
C[C@@H]([C@@H](C)[NH2+]C[C@H](O)c1ccc2c(c1)OCO2)n1cccn1 c1cnn(c1)[*:1] C[C@@H]([C@@H](C)[NH2+]C[C@H](O)c1ccc2OCOc2c1)[*:1]
C[C@@H]([C@@H](C)[NH2+]C[C@H](O)c1ccc2c(c1)OCO2)n1cccn1 C[C@@H](n1cccn1)[*:1] C[C@@H]([NH2+]C[C@H](O)c1ccc2OCOc2c1)[*:1]
Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)c1C#N O=[N+]([O-])[*:1] Cc1cc(NCCNc2ccc(cc2)[*:1])n2c(nc3ccccc32)c1C#N
Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)c1C#N O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(NCCN[*:1])n2c(nc3ccccc32)c1C#N
COc1ccc2cc(CNC(=O)NCCC(C)C)ccc2c1 CC(C)C[*:1] COc1ccc2cc(ccc2c1)CNC(=O)NC[*:1]
COc1ccc2cc(CNC(=O)NCCC(C)C)ccc2c1 CC(C)CC[*:1] COc1ccc2cc(ccc2c1)CNC(=O)N[*:1]
COc1ccc2cc(CNC(=O)NCCC(C)C)ccc2c1 CC(C)[*:1] COc1ccc2cc(ccc2c1)CNC(=O)NCC[*:1]
CCOc1ccccc1NC(=O)CNc1cccc(S(C)(=O)=O)c1 CCO[*:1] CS(=O)(=O)c1cccc(c1)NCC(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)CNc1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCOc1ccccc1NC(=O)CNc1cccc(c1)[*:1]
CC(=O)Nc1cccc2c1CCN(CN1C(=O)C(=O)c3cccc(F)c31)C2 CC(=O)N[*:1] O=C1C(=O)N(CN2CCc3c(cccc3[*:1])C2)c2c(F)cccc21
C[C@H](NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@@H]1CC(=O)N(C1)C(C)(C)C)C(=O)N[*:1]
C[C@H](NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)Nc1ccccc1 CC(C)(C)[*:1] C[C@H](NC(=O)N[C@@H]1CC(=O)N(C1)[*:1])C(=O)Nc1ccccc1
CCn1c(=O)c(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)nc2ccccc21 Cc1ccc(cc1F)[*:1] CCn1c(=O)c(nc2ccccc21)N1CCN(CC1)C(=O)[*:1]
COCc1cccc(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1 COC[*:1] C[C@H](Nc1cccc(c1)[*:1])C(=O)Nc1ccc(F)c(F)c1F
CC(=O)NCc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1 CC(=O)N[*:1] O=C(NCCc1cn2ccccc2n1)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1 CC(=O)NC[*:1] O=C(NCCc1cn2ccccc2n1)c1ccc(cc1)[*:1]
Cc1cccc(OC(F)F)c1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] FC(F)O[*:1] Cc1cccc(c1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[*:1]
Cc1cccc(OC(F)F)c1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] FC(F)[*:1] Cc1cccc(O[*:1])c1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-]
Cc1cccc(OC(F)F)c1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cccc(OC(F)F)c1NC(=O)c1cc(F)c(F)cc1[*:1]
Cn1nccc1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] Cn1nccc1CNC(=O)c1ccc(F)c(c1)S(=O)(=O)N[*:1]
Cn1nccc1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 Cn1nccc1C[*:1] CC(C)(C)NS(=O)(=O)c1cc(ccc1F)C(=O)N[*:1]
Cn1nccc1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 CC(C)(C)NS(=O)(=O)[*:1] Cn1nccc1CNC(=O)c1ccc(F)c(c1)[*:1]
Cn1nccc1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 Cn1nccc1[*:1] CC(C)(C)NS(=O)(=O)c1cc(ccc1F)C(=O)NC[*:1]
CC(C)Oc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)O[*:1])N1CCN(CC1)C(=O)[C@H]1C[C@H]1c1ccccc1
CC(C)Oc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
CC(C)Oc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1 CC(C)O[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)C(=O)[C@H]1C[C@H]1c1ccccc1
C=C1C=C(C)[C@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)C(=O)N1 O=C1CNC(=O)N1[*:1] C=C1C=C(C)[C@H](CNC(=O)c2ccccc2C[*:1])C(=O)N1
C=C1C=C(C)[C@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)C(=O)N1 O=C1CNC(=O)N1C[*:1] C=C1C=C(C)[C@H](CNC(=O)c2ccccc2[*:1])C(=O)N1
Cc1cc(C)c(CNC(=O)N2CCCN(C(=O)C(C)C)CC2)c(C)c1 CC(C)[*:1] Cc1cc(C)c(CNC(=O)N2CCCN(CC2)C(=O)[*:1])c(C)c1
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNS(=O)(=O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CCNS(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNS(=O)(=O)c2cccc(F)c2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(NCC[C@@H]1CCCCN1S(=O)(=O)[*:1])c1cccc(F)c1
Nc1cnc(N[C@@H]2C[C@H]2c2ccccc2)c(Br)c1 c1ccc(cc1)[*:1] Nc1cnc(N[C@@H]2C[C@@H]2[*:1])c(Br)c1
CC1(C)CCC[C@H]1NC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 C1CC(CCO1)[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCC(F)(F)F)cc1 FC(F)(F)C[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)O[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCC(F)(F)F)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)OC[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCC(F)(F)F)cc1 Cc1ccc(cc1)[*:1] O=C(OCC(F)(F)F)[C@H]1CCC(=O)N1C[*:1]
CC(=O)Nc1ccc(C(=O)COc2ccc(C(N)=O)cc2)cc1 CC(=O)N[*:1] NC(=O)c1ccc(cc1)OCC(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)COc2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] CC(=O)Nc1ccc(cc1)C(=O)COc1ccc(cc1)[*:1]
C[C@H](Nc1ncnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@H](Nc1ncnc2ccccc12)c1ccc(cc1)NC(=O)[*:1]
C[C@H](Nc1ncnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@H](Nc1ncnc2ccccc12)c1ccc(cc1)[*:1]
CN(CCc1ccccc1)C(=O)c1csc(C#CCO)c1 c1ccc(cc1)C[*:1] CN(C[*:1])C(=O)c1csc(C#CCO)c1
CN(CCc1ccccc1)C(=O)c1csc(C#CCO)c1 c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)c1csc(C#CCO)c1
CN(CCc1ccccc1)C(=O)c1csc(C#CCO)c1 OCC#C[*:1] CN(CCc1ccccc1)C(=O)c1csc(c1)[*:1]
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc(F)c1)c1cccs1 Fc1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1[*:1])c1cccs1
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc(F)c1)c1cccs1 c1csc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(F)c2)N1CC[NH+]1CCCC1
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccc(F)c1)c1cccs1 O=C(c1cccs1)[*:1] O=C1C([O-])=C([C@H](c2cccc(F)c2)N1CC[NH+]1CCCC1)[*:1]
Cc1nc(N(C)C)ncc1C(=O)Nc1cccc(Br)c1 CN(C)[*:1] Cc1nc(ncc1C(=O)Nc1cccc(Br)c1)[*:1]
C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2N1 Brc1ccc(cc1)[*:1] C[C@@H]1Cc2cc(ccc2N1)S(=O)(=O)N[*:1]
COc1ccc(/C=C/[C@H]2[C@H](S(=O)(=O)NCc3ccc4c(c3)OCO4)CON2C)cc1 c1cc2OCOc2cc1C[*:1] COc1ccc(/C=C/[C@H]2[C@@H](CON2C)S(=O)(=O)N[*:1])cc1
COc1ccc(/C=C/[C@H]2[C@H](S(=O)(=O)NCc3ccc4c(c3)OCO4)CON2C)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(/C=C/[C@H]2[C@@H](CON2C)S(=O)(=O)NC[*:1])cc1
COc1ccc(/C=C/[C@H]2[C@H](S(=O)(=O)NCc3ccc4c(c3)OCO4)CON2C)cc1 COc1ccc(C=C[*:1])cc1 CN1OC[C@H]([C@@H]1[*:1])S(=O)(=O)NCc1ccc2OCOc2c1
COc1ccc(/C=C/[C@H]2[C@H](S(=O)(=O)NCc3ccc4c(c3)OCO4)CON2C)cc1 COc1ccc(cc1)[*:1] CN1OC[C@H]([C@@H]1C=C[*:1])S(=O)(=O)NCc1ccc2OCOc2c1
Cc1ccnc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)c1 Cc1ccnc(c1)[*:1] O=C(CCNS(=O)(=O)c1cccc(Br)c1)N[*:1]
Cc1ccnc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] Cc1ccnc(c1)NC(=O)CCNS(=O)(=O)[*:1]
O=C(NCc1ccccc1F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl Fc1ccccc1[*:1] O=C(NC[*:1])[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl
O=C(NCc1ccccc1F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl Fc1ccccc1C[*:1] O=C(N[*:1])[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl
O=C(NCc1ccccc1F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=C(NCc1ccccc1F)[C@H]1CCCN1C(=O)[*:1]
CCc1nnc(NC(=O)c2cn(CC(C)C)c3ccccc23)s1 CC(C)[*:1] CCc1nnc(NC(=O)c2cn(C[*:1])c3ccccc23)s1
CCc1nnc(NC(=O)c2cn(CC(C)C)c3ccccc23)s1 CCc1nnc(s1)[*:1] CC(C)Cn1cc(C(=O)N[*:1])c2ccccc21
CCc1nnc(NC(=O)c2cn(CC(C)C)c3ccccc23)s1 CC(C)C[*:1] CCc1nnc(NC(=O)c2cn(c3ccccc23)[*:1])s1
CO[C@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccccc2Cl)C1 Clc1ccccc1[*:1] CO[C@H]1CCCN(C1)C(=O)[C@H](C)NC(=O)[*:1]
CCn1cnnc1CN1CC[C@]2(CCCN(CCOC)C2=O)C1 COCC[*:1] CCn1cnnc1CN1CC[C@]2(CCCN(C2=O)[*:1])C1
CCn1cnnc1CN1CC[C@]2(CCCN(CCOC)C2=O)C1 COC[*:1] CCn1cnnc1CN1CC[C@]2(CCCN(C[*:1])C2=O)C1
CCn1cnnc1CN1CC[C@]2(CCCN(CCOC)C2=O)C1 CCn1cnnc1[*:1] COCCN1CCC[C@]2(CCN(C2)C[*:1])C1=O
COc1ccc(C2=NN(C(=O)CSc3ncccn3)[C@H](c3ccc(C)cc3)C2)cc1 c1cnc(nc1)[*:1] COc1ccc(cc1)C1C[C@@H](c2ccc(C)cc2)N(N=1)C(=O)CS[*:1]
COc1ccc(C2=NN(C(=O)CSc3ncccn3)[C@H](c3ccc(C)cc3)C2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1CC(=NN1C(=O)CSc1ncccn1)[*:1]
COc1ccc(C2=NN(C(=O)CSc3ncccn3)[C@H](c3ccc(C)cc3)C2)cc1 c1cnc(nc1)SC[*:1] COc1ccc(cc1)C1C[C@@H](c2ccc(C)cc2)N(N=1)C(=O)[*:1]
COc1ccc(C2=NN(C(=O)CSc3ncccn3)[C@H](c3ccc(C)cc3)C2)cc1 c1cnc(nc1)S[*:1] COc1ccc(cc1)C1C[C@@H](c2ccc(C)cc2)N(N=1)C(=O)C[*:1]
COc1ccc(C2=NN(C(=O)CSc3ncccn3)[C@H](c3ccc(C)cc3)C2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)CSc1ncccn1)[*:1]
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 c1ccc2c(n[nH]c2c1)[*:1] Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C1)C(=O)[*:1]
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2)n2nnnc2N1 c1cncc(c1)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)N[*:1])c1ccccc1
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2)n2nnnc2N1 c1ccc(cc1)[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)Nc1cccnc1)[*:1]
CCOc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 CCO[*:1] CC(=O)Nc1ccc(cc1)S[C@H](C)C(=O)Nc1cccc(Cl)c1[*:1]
CCOc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCOc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1ccc(cc1)[*:1]
CCCOc1ccc(C(=O)Nc2c(C)[nH+]c3scc(C)n3c2=O)cc1 CCC[*:1] Cc1[nH+]c2scc(C)n2c(=O)c1NC(=O)c1ccc(cc1)O[*:1]
CCCOc1ccc(C(=O)Nc2c(C)[nH+]c3scc(C)n3c2=O)cc1 CCCO[*:1] Cc1[nH+]c2scc(C)n2c(=O)c1NC(=O)c1ccc(cc1)[*:1]
C[C@@H](CNC(=O)/C=C/c1cccc(C#N)c1)Sc1ccccc1 c1ccc(cc1)S[*:1] C[C@@H](CNC(=O)/C=C/c1cccc(C#N)c1)[*:1]
C[C@@H](CNC(=O)/C=C/c1cccc(C#N)c1)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)/C=C/c1cccc(C#N)c1)S[*:1]
COC[C@H]1CCCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC[C@H]1CCCN1C(=O)N[C@H](CC(F)(F)F)[*:1]
COC[C@H]1CCCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 COC[*:1] O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCC[C@@H]1[*:1]
COC[C@H]1CCCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] COC[C@H]1CCCN1C(=O)N[C@H](c1ccc(F)cc1)[*:1]
COC[C@H]1CCCN1C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] COC[C@H]1CCCN1C(=O)N[C@H](C[*:1])c1ccc(F)cc1
CC[C@@H](C)NC(=O)CCc1ccccc1 CC[C@@H](C)[*:1] O=C(CCc1ccccc1)N[*:1]
CSc1ncc(C(=O)N2CC[C@H](C)[C@H](O)C2)n1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1ncc(C(=O)N2CC[C@H](C)[C@H](O)C2)n1[*:1]
NC(=O)c1ccccc1OCCC[NH+]1CCN(c2ccccc2)CC1 NC(=O)[*:1] c1ccc(cc1)N1CC[NH+](CCCOc2ccccc2[*:1])CC1
NC(=O)c1ccccc1OCCC[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] NC(=O)c1ccccc1OCCC[NH+]1CCN(CC1)[*:1]
O=C(NC[C@](O)(c1ccccc1)C1CC1)Nc1ccc2c(c1)OCO2 C1CC1[*:1] O=C(NC[C@](O)(c1ccccc1)[*:1])Nc1ccc2OCOc2c1
O=C(NC[C@](O)(c1ccccc1)C1CC1)Nc1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(NC[C@](O)(C1CC1)[*:1])Nc1ccc2OCOc2c1
Fc1cccc(F)c1Cc1nnc(C[NH2+]C2CC2)o1 C1CC1[*:1] Fc1cccc(F)c1Cc1nnc(C[NH2+][*:1])o1
CC[C@@H](C)N(C)C(=O)Nc1cc(-c2ncco2)ccc1C CC[C@@H](C)[*:1] Cc1ccc(cc1NC(=O)N(C)[*:1])-c1ncco1
CC[C@@H](C)N(C)C(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] CC[C@@H](C)N(C)C(=O)Nc1cc(ccc1C)[*:1]
CN(Cc1cnn(C)c1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)Sc1ccccc1Cl
CN(Cc1cnn(C)c1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 Cn1cc(cn1)C[*:1] CN(C(=O)Nc1ccc(cc1)Sc1ccccc1Cl)[*:1]
CN(Cc1cnn(C)c1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 Clc1ccccc1S[*:1] CN(Cc1cnn(C)c1)C(=O)Nc1ccc(cc1)[*:1]
CN(Cc1cnn(C)c1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CN(Cc1cnn(C)c1)C(=O)Nc1ccc(cc1)S[*:1]
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 Clc1ccc(cc1)[*:1] O=C(CN(C1CCCCC1)S(=O)(=O)[*:1])N1CCN(CC1)c1ccccc1F
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 C1CCC(CC1)[*:1] O=C(CN(S(=O)(=O)c1ccc(Cl)cc1)[*:1])N1CCN(CC1)c1ccccc1F
C[C@@H](Nc1nc(-c2ccncc2)nc2c1cnn2C)c1cc(F)cc(F)c1 c1cc(ccn1)[*:1] C[C@@H](Nc1nc(nc2c1cnn2C)[*:1])c1cc(F)cc(F)c1
C[C@@H](Nc1nc(-c2ccncc2)nc2c1cnn2C)c1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] C[C@@H](Nc1nc(nc2c1cnn2C)-c1ccncc1)[*:1]
CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccc(Br)cc2)o1 CC(C)[*:1] OC1C[C@@H](c2ccc(o2)-c2ccc(Br)cc2)c2cnn(c2N=1)[*:1]
CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccc(Br)cc2)o1 Brc1ccc(cc1)[*:1] CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(o1)[*:1]
COc1ccc(C)cc1CN(C)C(=O)c1sc(-c2ccccn2)nc1C c1ccc(nc1)[*:1] COc1ccc(C)cc1CN(C)C(=O)c1sc(nc1C)[*:1]
C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(Cn3ccc(C(F)(F)F)n3)CC2)C1 FC(F)(F)c1ccn(n1)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)CN1CCN(CC1)C[*:1]
C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(Cn3ccc(C(F)(F)F)n3)CC2)C1 FC(F)(F)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)CN1CCN(CC1)Cn1ccc(n1)[*:1]
COc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc4c(cc3s2)OCCO4)cc1 COc1ccc(cc1)[*:1] C[NH+](C)CCCN(C(=O)[*:1])c1nc2cc3OCCOc3cc2s1
O=C(Nc1cccc(F)c1)C(=O)N1CCN(c2cc(F)ccc2F)CC1 Fc1cccc(c1)[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)c1cc(F)ccc1F
O=C(Nc1cccc(F)c1)C(=O)N1CCN(c2cc(F)ccc2F)CC1 Fc1ccc(F)c(c1)[*:1] O=C(Nc1cccc(F)c1)C(=O)N1CCN(CC1)[*:1]
Cc1n[nH]c2cc(NC(=O)CNC(=O)NCc3ccco3)ccc12 c1coc(c1)C[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)CNC(=O)N[*:1]
Cc1n[nH]c2cc(NC(=O)CNC(=O)NCc3ccco3)ccc12 c1coc(c1)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)CNC(=O)NC[*:1]
Cc1cccc(CN2CCC[C@@]3(CCN(c4cc[nH+]c(CO)c4)C3)C2=O)c1 Cc1cccc(c1)C[*:1] O=C1N(CCC[C@@]12CCN(C2)c1cc[nH+]c(c1)CO)[*:1]
Cc1cccc(CN2CCC[C@@]3(CCN(c4cc[nH+]c(CO)c4)C3)C2=O)c1 Cc1cccc(c1)[*:1] O=C1N(CCC[C@@]12CCN(C2)c1cc[nH+]c(c1)CO)C[*:1]
CCCCCN(C(=O)c1nnn[n-]1)C(C)C CC(C)[*:1] CCCCCN(C(=O)c1nnn[n-]1)[*:1]
CCCCCN(C(=O)c1nnn[n-]1)C(C)C CCCC[*:1] CC(C)N(C[*:1])C(=O)c1nnn[n-]1
CCCCCN(C(=O)c1nnn[n-]1)C(C)C CCC[*:1] CC(C)N(CC[*:1])C(=O)c1nnn[n-]1
CCCCCN(C(=O)c1nnn[n-]1)C(C)C CCCCC[*:1] CC(C)N(C(=O)c1nnn[n-]1)[*:1]
Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ccc(C(C)C)cc1 CC(C)[*:1] Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ccc(cc1)[*:1]
Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ccc(C(C)C)cc1 Cc1noc(C)c1[*:1] CC(C)c1ccc(cc1)[C@@H](C)NC[C@H](C)[*:1]
O=C(CNS(=O)(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NCC(=O)[*:1])C1c2ccccc2Oc2ccccc21
O=C(CNS(=O)(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)NC[*:1])C1c2ccccc2Oc2ccccc21
O=C(CNS(=O)(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1)c1ccccc1 O=C(C[*:1])c1ccccc1 O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])C1c2ccccc2Oc2ccccc21
C[C@H](NC(=O)c1c[nH]c2nccc(Cl)c12)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1c[nH]c2nccc(Cl)c12)C(=O)N[*:1]
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 CC[C@@H](C)[*:1] N#CCc1ccc(cc1)NC(=O)c1ccc(cc1)O[*:1]
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 N#CC[*:1] CC[C@@H](C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 CC[C@@H](C)O[*:1] N#CCc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
O=C(COCCOc1ccccc1)N1CCc2cc(F)ccc2C1 c1ccc(cc1)[*:1] O=C(COCCO[*:1])N1CCc2cc(F)ccc2C1
O=C(COCCOc1ccccc1)N1CCc2cc(F)ccc2C1 c1ccc(cc1)O[*:1] O=C(COCC[*:1])N1CCc2cc(F)ccc2C1
O=C(COCCOc1ccccc1)N1CCc2cc(F)ccc2C1 c1ccc(cc1)OC[*:1] O=C(COC[*:1])N1CCc2cc(F)ccc2C1
C[C@H](NC(=O)N1CCCN(CC(F)(F)F)CC1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)N1CCCN(CC1)CC(F)(F)F)[*:1]
C[C@H](NC(=O)N1CCCN(CC(F)(F)F)CC1)c1ccccc1Cl FC(F)(F)[*:1] C[C@H](NC(=O)N1CCCN(CC1)C[*:1])c1ccccc1Cl
C[C@H](NC(=O)N1CCCN(CC(F)(F)F)CC1)c1ccccc1Cl FC(F)(F)C[*:1] C[C@H](NC(=O)N1CCCN(CC1)[*:1])c1ccccc1Cl
Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@@H]1CCCN(c3ncccn3)C1)C2 c1cnc(nc1)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)NC[C@@H]1CCCN(C1)[*:1]
CCNS(=O)(=O)[C@H]1CCN(Cc2nnnn2-c2c(C)cccc2C)C1 Cc1cccc(C)c1[*:1] CCNS(=O)(=O)[C@H]1CCN(Cc2nnnn2[*:1])C1
CCNS(=O)(=O)[C@H]1CCN(Cc2nnnn2-c2c(C)cccc2C)C1 CCNS(=O)(=O)[*:1] Cc1cccc(C)c1-n1nnnc1CN1CC[C@@H](C1)[*:1]
Fc1ccc(F)c2c1CCN(Cc1nnsc1Cl)C2 Clc1snnc1[*:1] Fc1ccc(F)c2CN(CCc12)C[*:1]
CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc([S@](C)=O)cc1 C1C[C@H](CO1)C[*:1] CCN(C(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc([S@](C)=O)cc1 C1C[C@H](CO1)[*:1] CCN(C[*:1])C(=O)NCc1ccc(cc1)[S@](C)=O
CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(N2C[C@H](C(=O)N3CCCSC[C@@H]3C[NH+]3CCCCC3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCCSC[C@@H]1C[NH+]1CCCCC1
CCC[NH2+][C@@H](CC)c1nnc(-c2cscc2C)s1 Cc1cscc1[*:1] CCC[NH2+][C@@H](CC)c1nnc(s1)[*:1]
CCC[NH2+][C@@H](CC)c1nnc(-c2cscc2C)s1 CCC[*:1] CC[C@H]([NH2+][*:1])c1nnc(s1)-c1cscc1C
N#C[C@H](c1ccccc1)N1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 O=C1CCC(=O)N1[*:1] N#C[C@H](c1ccccc1)N1CCN(CC1)C(=O)CC[*:1]
N#C[C@H](c1ccccc1)N1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 c1ccc(cc1)[*:1] N#C[C@H](N1CCN(CC1)C(=O)CCN1C(=O)CCC1=O)[*:1]
N#C[C@H](c1ccccc1)N1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 O=C1CCC(=O)N1C[*:1] N#C[C@H](c1ccccc1)N1CCN(CC1)C(=O)C[*:1]
CCSCc1ccnc(NCc2sccc2OC)c1 CCSC[*:1] COc1ccsc1CNc1cc(ccn1)[*:1]
CCSCc1ccnc(NCc2sccc2OC)c1 CCS[*:1] COc1ccsc1CNc1cc(ccn1)C[*:1]
CC(C)c1ocnc1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 CC(C)c1ocnc1[*:1] FC(F)(F)c1csc(n1)[C@@H]1CCCN(C1)C[*:1]
CC(C)c1ocnc1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 FC(F)(F)[*:1] CC(C)c1ocnc1CN1CCC[C@H](C1)c1nc(cs1)[*:1]
CC(C)c1ocnc1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 CC(C)[*:1] FC(F)(F)c1csc(n1)[C@@H]1CCCN(Cc2ncoc2[*:1])C1
CCCCn1c(SCC(=O)N(C)c2ccccc2)nc2ccccc2c1=O CCCC[*:1] CN(C(=O)CSc1nc2ccccc2c(=O)n1[*:1])c1ccccc1
CCCCn1c(SCC(=O)N(C)c2ccccc2)nc2ccccc2c1=O c1ccc(cc1)[*:1] CCCCn1c(nc2ccccc2c1=O)SCC(=O)N(C)[*:1]
CCCCn1c(SCC(=O)N(C)c2ccccc2)nc2ccccc2c1=O CCC[*:1] CN(C(=O)CSc1nc2ccccc2c(=O)n1C[*:1])c1ccccc1
CCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 O=S(=O)(N1CCCC1)[*:1] CCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 CCC(=O)N[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)c1ccc(cc1)[*:1]
COc1ccccc1NC(=O)Nc1nnc(N2C[C@@H](C)C[C@H](C)C2)s1 COc1ccccc1[*:1] C[C@H]1C[C@H](C)CN(C1)c1nnc(NC(=O)N[*:1])s1
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)N(Cc2cccnc2)C3=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(Cc3cccnc3)[C@H](c12)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)N(Cc2cccnc2)C3=O)cc1 c1cncc(c1)C[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N([C@H](c3ccccc3)c12)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)N(Cc2cccnc2)C3=O)cc1 Cc1ccc(cc1)[*:1] O=C1c2[nH]nc(c2[C@@H](c2ccccc2)N1Cc1cccnc1)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)N(Cc2cccnc2)C3=O)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[*:1])[C@H](c3ccccc3)c12
C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)c2ccco2)C1 c1coc(c1)[*:1] C[C@]1(CCCN(C1)C(=O)[*:1])C(=O)NCc1ccccc1
C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)c2ccco2)C1 c1ccc(cc1)[*:1] C[C@]1(CCCN(C1)C(=O)c1ccco1)C(=O)NC[*:1]
C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)c2ccco2)C1 c1ccc(cc1)C[*:1] C[C@]1(CCCN(C1)C(=O)c1ccco1)C(=O)N[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1csc([N+](=O)[O-])c1)n2CC(C)C O=[N+]([O-])[*:1] CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1csc(c1)[*:1])n2CC(C)C
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1csc([N+](=O)[O-])c1)n2CC(C)C CCC[*:1] CC(C)Cn1c(nc2c1c(=O)[nH]c(=O)n2C[*:1])-c1csc(c1)[N+](=O)[O-]
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1csc([N+](=O)[O-])c1)n2CC(C)C CC(C)C[*:1] CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1csc(c1)[N+](=O)[O-])n2[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1csc([N+](=O)[O-])c1)n2CC(C)C O=[N+]([O-])c1cc(cs1)[*:1] CCCCn1c(=O)[nH]c(=O)c2c1nc(n2CC(C)C)[*:1]
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1csc([N+](=O)[O-])c1)n2CC(C)C CCCC[*:1] CC(C)Cn1c(nc2c1c(=O)[nH]c(=O)n2[*:1])-c1csc(c1)[N+](=O)[O-]
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1csc([N+](=O)[O-])c1)n2CC(C)C CC(C)[*:1] CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1csc(c1)[N+](=O)[O-])n2C[*:1]
C#Cc1cccc(N(C(=O)c2cnc(-c3ccccc3)nc2)C(C)C)c1 c1ccc(cc1)[*:1] C#Cc1cccc(c1)N(C(=O)c1cnc(nc1)[*:1])C(C)C
C#Cc1cccc(N(C(=O)c2cnc(-c3ccccc3)nc2)C(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(C(=O)c1cnc(nc1)-c1ccccc1)[*:1]
C#Cc1cccc(N(C(=O)c2cnc(-c3ccccc3)nc2)C(C)C)c1 C#Cc1cccc(c1)[*:1] CC(C)N(C(=O)c1cnc(nc1)-c1ccccc1)[*:1]
COc1ccccc1O[C@H](C)CNC(=O)Nc1ccncc1 c1cc(ccn1)[*:1] COc1ccccc1O[C@H](C)CNC(=O)N[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)NCC(N)=O)cc12 NC(=O)CNC(=O)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)NCC(N)=O)cc12 NC(=O)[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)NC[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)NCC(N)=O)cc12 NC(=O)C[*:1] Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N[*:1]
Cc1nn(-c2ccccc2)c2sc(C(=O)NCC(N)=O)cc12 c1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)NCC(N)=O)[*:1]
Cc1noc(C)c1CC(=O)[C@H](C#N)c1nc2ccccc2s1 Cc1noc(C)c1[*:1] N#C[C@@H](C(=O)C[*:1])c1nc2ccccc2s1
Cc1oc(-c2cccs2)nc1C(=O)N1CCc2sccc2C1 c1csc(c1)[*:1] Cc1oc(nc1C(=O)N1CCc2sccc2C1)[*:1]
N#C[C@]1(NC2CC2)CCC[C@H](Sc2cccs2)C1 C1CC1[*:1] N#C[C@@]1(CCC[C@@H](C1)Sc1cccs1)N[*:1]
N#C[C@]1(NC2CC2)CCC[C@H](Sc2cccs2)C1 c1csc(c1)S[*:1] N#C[C@@]1(CCC[C@H](C1)[*:1])NC1CC1
N#C[C@]1(NC2CC2)CCC[C@H](Sc2cccs2)C1 c1csc(c1)[*:1] N#C[C@@]1(CCC[C@@H](C1)S[*:1])NC1CC1
N#C[C@]1(NC2CC2)CCC[C@H](Sc2cccs2)C1 C1CC1N[*:1] N#C[C@@]1(CCC[C@@H](C1)Sc1cccs1)[*:1]
COC(=O)c1sccc1S(=O)(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] COC(=O)c1sccc1S(=O)(=O)N[C@H](C)c1cnn(c1C)[*:1]
COC(=O)c1sccc1S(=O)(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C COC(=O)[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NS(=O)(=O)c1ccsc1[*:1]
COC(=O)c1sccc1S(=O)(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C COC(=O)c1sccc1[*:1] Cc1c(cnn1-c1ccc(F)cc1)[C@@H](C)NS(=O)(=O)[*:1]
C/C(=N/NC(=O)CNc1cccc(Cl)c1C)c1ccco1 c1coc(c1)[*:1] CC(=NNC(=O)CNc1cccc(Cl)c1C)[*:1]
CCOC(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1 C1CCC(CC1)[*:1] CCOC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC(=O)N(CC[NH+](C)C)C1CC[NH+](CCc2ccccn2)CC1 c1ccc(nc1)[*:1] CC(=O)N(CC[NH+](C)C)C1CC[NH+](CC1)CC[*:1]
CC(=O)N(CC[NH+](C)C)C1CC[NH+](CCc2ccccn2)CC1 c1ccc(C[*:1])nc1 CC(=O)N(CC[NH+](C)C)C1CC[NH+](CC1)C[*:1]
C[C@@H]1C[C@H]([NH3+])CN(CC(=O)N(C)Cc2ccc(Cl)s2)C1 Clc1ccc(s1)[*:1] C[C@@H]1C[C@H]([NH3+])CN(CC(=O)N(C)C[*:1])C1
CCc1onc(C)c1NC(=O)N1CCO[C@H](c2cccs2)C1 c1csc(c1)[*:1] CCc1onc(C)c1NC(=O)N1CCO[C@H](C1)[*:1]
O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(Nc1ccccc1Cl)C1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 Clc1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
C=CCNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 C=CC[*:1] O=C(CN1CCN(CC1)C(=O)N[*:1])N1CCCCCC1
Cc1ccc(-c2csc(-n3[nH]c(C)c(CC(=O)Nc4ccc(Br)cc4)c3=O)n2)cc1 Cc1ccc(cc1)[*:1] Cc1[nH]n(-c2nc(cs2)[*:1])c(=O)c1CC(=O)Nc1ccc(Br)cc1
Cc1ccc(-c2csc(-n3[nH]c(C)c(CC(=O)Nc4ccc(Br)cc4)c3=O)n2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1csc(n1)-n1[nH]c(C)c(CC(=O)N[*:1])c1=O
Cc1ccc(-c2csc(-n3[nH]c(C)c(CC(=O)Nc4ccc(Br)cc4)c3=O)n2)cc1 O=C(Nc1ccc(Br)cc1)[*:1] Cc1ccc(cc1)-c1csc(n1)-n1[nH]c(C)c(C[*:1])c1=O
COc1ccc(Br)c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 FC(F)(F)[*:1] COc1ccc(Br)c(c1)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1ccc(Br)c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 COc1ccc(Br)c(c1)[*:1] CN(CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)C(=O)[*:1]
CC(C)[C@@H](C)NC(=O)COC(=O)C1=c2ccccc2=[NH+]C(=O)C1 CC(C)[C@@H](C)[*:1] O=C(COC(=O)C1CC(=O)[NH+]=c2ccccc2=1)N[*:1]
CC(C)[C@@H](C)NC(=O)COC(=O)C1=c2ccccc2=[NH+]C(=O)C1 CC(C)[*:1] C[C@@H](NC(=O)COC(=O)C1CC(=O)[NH+]=c2ccccc2=1)[*:1]
CN(CCC#N)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 N#CC[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)CS(=O)(=O)C1CCCCC1
CN(CCC#N)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 N#CCC[*:1] CN(C(=O)Nc1cccc(c1)CS(=O)(=O)C1CCCCC1)[*:1]
CN(CCC#N)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] CN(CCC#N)C(=O)Nc1cccc(c1)CS(=O)(=O)[*:1]
Cc1cn2c(=O)cc(COc3cccc(NC(=O)[C@@H](C)Oc4ccccc4)c3)nc2s1 c1ccc(cc1)[*:1] Cc1cn2c(=O)cc(COc3cccc(c3)NC(=O)[C@@H](C)O[*:1])nc2s1
Cc1cn2c(=O)cc(COc3cccc(NC(=O)[C@@H](C)Oc4ccccc4)c3)nc2s1 c1ccc(cc1)O[*:1] Cc1cn2c(=O)cc(COc3cccc(c3)NC(=O)[C@@H](C)[*:1])nc2s1
Cc1cn2c(=O)cc(COc3cccc(NC(=O)[C@@H](C)Oc4ccccc4)c3)nc2s1 C[C@@H](Oc1ccccc1)[*:1] Cc1cn2c(=O)cc(COc3cccc(c3)NC(=O)[*:1])nc2s1
COCCNC(=O)Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 COC[*:1] O=C(Cc1ccc(cc1)NC(=O)Nc1ccc(Cl)cc1)NC[*:1]
COCCNC(=O)Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 COCCNC(=O)[*:1] O=C(Nc1ccc(Cl)cc1)Nc1ccc(cc1)C[*:1]
COCCNC(=O)Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 COCCNC(=O)C[*:1] O=C(Nc1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
COCCNC(=O)Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 COCC[*:1] O=C(Cc1ccc(cc1)NC(=O)Nc1ccc(Cl)cc1)N[*:1]
COCCNC(=O)Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COCCNC(=O)Cc1ccc(cc1)NC(=O)N[*:1]
COc1ccc(C(=O)N2CCN(C(=O)CN3CCOC3=O)CC2)cc1 O=C1OCCN1[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C[*:1]
COc1ccc(C(=O)N2CCN(C(=O)CN3CCOC3=O)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CN1CCOC1=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(C(=O)N2CCN(C(=O)CN3CCOC3=O)CC2)cc1 O=C1OCCN1C[*:1] COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[*:1]
O=C(OCCNc1ncccn1)c1cnn(-c2cccc(Br)c2)c1 c1cnc(nc1)NC[*:1] O=C(OC[*:1])c1cnn(c1)-c1cccc(Br)c1
O=C(OCCNc1ncccn1)c1cnn(-c2cccc(Br)c2)c1 c1cnc(nc1)[*:1] O=C(OCCN[*:1])c1cnn(c1)-c1cccc(Br)c1
O=C(OCCNc1ncccn1)c1cnn(-c2cccc(Br)c2)c1 c1cnc(nc1)N[*:1] O=C(OCC[*:1])c1cnn(c1)-c1cccc(Br)c1
O=C(OCCNc1ncccn1)c1cnn(-c2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] O=C(OCCNc1ncccn1)c1cnn(c1)[*:1]
O=C(CCc1cn2ccccc2n1)N(Cc1ccccn1)C[C@@H]1CCCO1 c1ccn2cc(nc2c1)[*:1] O=C(CC[*:1])N(Cc1ccccn1)C[C@@H]1CCCO1
O=C(CCc1cn2ccccc2n1)N(Cc1ccccn1)C[C@@H]1CCCO1 c1ccc(C[*:1])nc1 O=C(CCc1cn2ccccc2n1)N(C[C@@H]1CCCO1)[*:1]
O=C(CCc1cn2ccccc2n1)N(Cc1ccccn1)C[C@@H]1CCCO1 c1ccc(nc1)[*:1] O=C(CCc1cn2ccccc2n1)N(C[C@@H]1CCCO1)C[*:1]
CCCOCCO[C@@H]1CCCC(C)(C)[C@@H]1O CCCO[*:1] CC1(C)CCC[C@@H](OCC[*:1])[C@H]1O
CCCOCCO[C@@H]1CCCC(C)(C)[C@@H]1O CCC[*:1] CC1(C)CCC[C@@H](OCCO[*:1])[C@H]1O
CCCOCCO[C@@H]1CCCC(C)(C)[C@@H]1O CCCOC[*:1] CC1(C)CCC[C@@H](OC[*:1])[C@H]1O
Cc1cccc(OC[C@@H](C)NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c1 Cc1cccc(c1)[*:1] C[C@H](CO[*:1])NC(=O)Nc1cc(c[nH]c1=O)C(F)(F)F
Cc1cccc(OC[C@@H](C)NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c1 FC(F)(F)[*:1] Cc1cccc(c1)OC[C@@H](C)NC(=O)Nc1cc(c[nH]c1=O)[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c1 Cc1cccc(c1)O[*:1] C[C@H](C[*:1])NC(=O)Nc1cc(c[nH]c1=O)C(F)(F)F
Cn1cnnc1CNc1nc2ccc(Cl)cc2s1 Cn1cnnc1[*:1] Clc1ccc2nc(NC[*:1])sc2c1
O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@@H]1COc2ccccc21 FC(F)(F)[*:1] O=C(NC[C@H](c1ccc(cc1)[*:1])N1CCOCC1)[C@@H]1COc2ccccc21
O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@@H]1COc2ccccc21 C1CN(CCO1)[*:1] O=C(NC[C@H](c1ccc(cc1)C(F)(F)F)[*:1])[C@@H]1COc2ccccc21
O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)[C@@H]1COc2ccccc21 FC(F)(F)c1ccc(cc1)[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])[C@@H]1COc2ccccc21
CSCc1c(C(=O)Nc2cc(C)nn2-c2ccccc2F)oc2ccccc12 CSC[*:1] Cc1cc(NC(=O)c2oc3ccccc3c2[*:1])n(n1)-c1ccccc1F
CSCc1c(C(=O)Nc2cc(C)nn2-c2ccccc2F)oc2ccccc12 Fc1ccccc1[*:1] CSCc1c(oc2ccccc12)C(=O)Nc1cc(C)nn1[*:1]
Cc1cc(C(N)=O)ccc1NC(=O)C[C@@H]1C[NH2+]CCO1 NC(=O)[*:1] Cc1cc(ccc1NC(=O)C[C@@H]1C[NH2+]CCO1)[*:1]
CNC(=O)Cc1ccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1 CNC(=O)[*:1] C[C@H](Nc1ccc(cc1)C[*:1])C(=O)Nc1cc(F)ccc1F
CNC(=O)Cc1ccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1 Fc1ccc(F)c(c1)[*:1] CNC(=O)Cc1ccc(cc1)N[C@@H](C)C(=O)N[*:1]
CNC(=O)Cc1ccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1 CNC(=O)C[*:1] C[C@H](Nc1ccc(cc1)[*:1])C(=O)Nc1cc(F)ccc1F
C[C@@H]([C@H](C)C(=O)[O-])S(C)(=O)=O O=C([O-])[*:1] C[C@@H]([C@H](C)[*:1])S(C)(=O)=O
COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)cc1 COc1ccc(cc1)[*:1] N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)N[*:1]
COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)/C(C#N)=C\c1cn(C[*:1])c2ccccc12
COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)NC(=O)/C(C#N)=C\c1cn(c2ccccc12)[*:1]
C[C@H](C(=O)Nc1ccn(Cc2ccccn2)n1)c1ccc2ccccc2c1 c1ccc(C[*:1])nc1 C[C@H](C(=O)Nc1ccn(n1)[*:1])c1ccc2ccccc2c1
C[C@H](C(=O)Nc1ccn(Cc2ccccn2)n1)c1ccc2ccccc2c1 c1ccc(nc1)[*:1] C[C@H](C(=O)Nc1ccn(C[*:1])n1)c1ccc2ccccc2c1
COc1ccc([C@@H](NC(=O)[C@@H](C)c2cccs2)C2CC2)cc1 C[C@@H](c1cccs1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)[*:1])C1CC1
COc1ccc([C@@H](NC(=O)[C@@H](C)c2cccs2)C2CC2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)[C@@H](C)[*:1])C1CC1
COc1ccc([C@@H](NC(=O)[C@@H](C)c2cccs2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)[C@@H](C)c1cccs1)[*:1]
CCOc1ccc(O[C@@H](C)C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cc1 CCO[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)N1CCC(CC1)c1cc2ncccc2c(=O)[nH]1
CCOc1ccc(O[C@@H](C)C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cc1 CCOc1ccc(cc1)O[*:1] C[C@@H](C(=O)N1CCC(CC1)c1cc2ncccc2c(=O)[nH]1)[*:1]
CCOc1ccc(O[C@@H](C)C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cc1 CCOc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N1CCC(CC1)c1cc2ncccc2c(=O)[nH]1
O=C(NCc1ccc2c(c1)OCCCO2)N(Cc1ccco1)C[C@H]1CCCO1 c1coc(c1)C[*:1] O=C(NCc1ccc2OCCCOc2c1)N(C[C@H]1CCCO1)[*:1]
O=C(NCc1ccc2c(c1)OCCCO2)N(Cc1ccco1)C[C@H]1CCCO1 c1coc(c1)[*:1] O=C(NCc1ccc2OCCCOc2c1)N(C[C@H]1CCCO1)C[*:1]
O=C([O-])[C@H](CCSc1ccccc1)Cc1ccccc1Br c1ccc(cc1)[*:1] O=C([O-])[C@H](CCS[*:1])Cc1ccccc1Br
O=C([O-])[C@H](CCSc1ccccc1)Cc1ccccc1Br Brc1ccccc1[*:1] O=C([O-])[C@H](CCSc1ccccc1)C[*:1]
O=C([O-])[C@H](CCSc1ccccc1)Cc1ccccc1Br c1ccc(cc1)S[*:1] O=C([O-])[C@H](CC[*:1])Cc1ccccc1Br
O=C([O-])[C@H](CCSc1ccccc1)Cc1ccccc1Br O=C([O-])[*:1] Brc1ccccc1C[C@@H](CCSc1ccccc1)[*:1]
CCOc1c(Cl)cccc1NC(=O)NCc1nnc2n1CCC2 CCO[*:1] O=C(NCc1nnc2CCCn21)Nc1cccc(Cl)c1[*:1]
COc1ccc([C@@H](C)NC(=O)c2cc(C)n(C3CC3)c2C)c(OC)c1 C1CC1[*:1] COc1ccc(c(c1)OC)[C@@H](C)NC(=O)c1cc(C)n(c1C)[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nncn2-c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CSc1nncn1[*:1]
CCOC(=O)[C@@](O)(CC)[C@@H]1CCCC[C@@H]1C CCOC(=O)[*:1] CC[C@](O)([C@@H]1CCCC[C@@H]1C)[*:1]
Cc1ccc(S[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(C)c1 Cc1ccc(S[*:1])c(C)c1 C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[*:1]
Cc1ccc(S[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(C)c1 Fc1ccc(c(F)c1F)[*:1] Cc1ccc(S[C@@H](C)C(=O)NCC(=O)N[*:1])c(C)c1
Cc1ccc(S[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@H](S[*:1])C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
Cc1nc(C)c(C(=O)N2CCC[C@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)o1 FC(F)(F)[*:1] Cc1nc(C)c(o1)C(=O)N1CCC[C@@H](CC1)NC(=O)c1ccc(nc1C)[*:1]
Cc1nc(C)c(C(=O)N2CCC[C@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)o1 Cc1nc(C)c(o1)[*:1] Cc1nc(ccc1C(=O)N[C@H]1CCCN(CC1)C(=O)[*:1])C(F)(F)F
CC1CCC(NC(=O)C(=O)Nc2cccc(-c3nncn3C)c2)CC1 CC1CCC(CC1)[*:1] Cn1cnnc1-c1cccc(c1)NC(=O)C(=O)N[*:1]
CC1CCC(NC(=O)C(=O)Nc2cccc(-c3nncn3C)c2)CC1 Cn1cnnc1[*:1] CC1CCC(CC1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
Brc1cc(OC2CCC2)ccn1 C1CC(C1)[*:1] Brc1cc(ccn1)O[*:1]
C[NH2+]CCc1cn(CCSc2ccccc2)cn1 c1ccc(cc1)[*:1] C[NH2+]CCc1cn(cn1)CCS[*:1]
O=C(NCC(=O)N1CCCCC1)N[C@@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCCCC1)N[C@@H](c1ccc(F)cc1)[*:1]
O=C(NCC(=O)N1CCCCC1)N[C@@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCC(=O)N1CCCCC1)N[C@@H](c1ccccc1)[*:1]
O=C(NCC(=O)N1CCCCC1)N[C@@H](c1ccccc1)c1ccc(F)cc1 O=C(C[*:1])N1CCCCC1 O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)N[*:1]
O=C(NCC(=O)N1CCCCC1)N[C@@H](c1ccccc1)c1ccc(F)cc1 O=C(N1CCCCC1)[*:1] O=C(NC[*:1])N[C@@H](c1ccccc1)c1ccc(F)cc1
CCOc1ccc(F)c(C(=O)Nc2ccc(F)c(C)c2)c1F CCO[*:1] Cc1cc(ccc1F)NC(=O)c1c(F)ccc(c1F)[*:1]
C[NH+]1CCN(C(=O)c2ccccc2OCC(N)=O)CC1 NC(=O)C[*:1] C[NH+]1CCN(CC1)C(=O)c1ccccc1O[*:1]
C[NH+]1CCN(C(=O)c2ccccc2OCC(N)=O)CC1 NC(=O)[*:1] C[NH+]1CCN(CC1)C(=O)c1ccccc1OC[*:1]
C[NH+]1CCN(C(=O)c2ccccc2OCC(N)=O)CC1 NC(=O)CO[*:1] C[NH+]1CCN(CC1)C(=O)c1ccccc1[*:1]
Cc1nc(N2CCC[C@@H]2C(=O)NCCC2=CC[C@@H]3C[C@H]2C3(C)C)nc2cc(S(C)(=O)=O)ccc12 CS(=O)(=O)[*:1] Cc1nc(nc2cc(ccc12)[*:1])N1CCC[C@@H]1C(=O)NCCC1=CC[C@@H]2C[C@H]1C2(C)C
O=C(CN1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CN1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O)Nc1cccc(c1)[*:1]
O=C(CN1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(CN1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O)N[*:1]
O=C(CN1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O)Nc1cccc(C(F)(F)F)c1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CN1C(=O)SC(=C[*:1])C1=O)Nc1cccc(c1)C(F)(F)F
CCCn1ccnc1Cn1ccnc1-c1ccoc1 c1cc(co1)[*:1] CCCn1ccnc1Cn1ccnc1[*:1]
CCCn1ccnc1Cn1ccnc1-c1ccoc1 CCC[*:1] c1cn(Cc2nccn2[*:1])c(n1)-c1ccoc1
O=C1O[C@H](C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)Cc2ccccc21 c1ccc2c(c[nH]c2c1)[*:1] O=C1O[C@@H](Cc2ccccc21)C(=O)N[C@H](CO)C[*:1]
Cc1ccc(F)cc1NC(=O)c1n[nH]c2c1CCc1ccccc1-2 Cc1ccc(F)cc1[*:1] O=C(N[*:1])c1n[nH]c2-c3ccccc3CCc12
c1cn(Cc2ccc(-n3ccnc3)cc2)cn1 c1cn(cn1)[*:1] c1cn(cn1)Cc1ccc(cc1)[*:1]
c1cn(Cc2ccc(-n3ccnc3)cc2)cn1 c1cn(cn1)[*:1] c1cn(cn1)-c1ccc(cc1)C[*:1]
Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])ncc1Br O=C([O-])[*:1] Cc1cc(ncc1Br)NC(=O)CC(C)(C)C[*:1]
Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])ncc1Br O=C([O-])C[*:1] Cc1cc(ncc1Br)NC(=O)CC(C)(C)[*:1]
Cc1ccc(/C=N/C(C)C)cc1 CC(C)[*:1] Cc1ccc(C=N[*:1])cc1
CC[C@H](C(=O)NCCC1=CCCCC1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O c1ccc(cc1)[*:1] CC[C@H](C(=O)NCCC1=CCCCC1)n1nc(C)c2c(C)n(nc2c1=O)[*:1]
O=C1CCCN1CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 O=C1CCCN1C[*:1] O=S(=O)(c1ccc(Cl)c(c1)C(F)(F)F)N1CCN(CC1)[*:1]
O=C1CCCN1CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 O=C1CCCN1[*:1] O=S(=O)(c1ccc(Cl)c(c1)C(F)(F)F)N1CCN(CC1)C[*:1]
O=C1CCCN1CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C1CCCN1CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
CCNc1cc(N2CCN(C(=O)Nc3ccccc3OCC)CC2)nc(C)n1 CCN[*:1] CCOc1ccccc1NC(=O)N1CCN(CC1)c1cc(nc(C)n1)[*:1]
CCNc1cc(N2CCN(C(=O)Nc3ccccc3OCC)CC2)nc(C)n1 CCOc1ccccc1[*:1] CCNc1cc(nc(C)n1)N1CCN(CC1)C(=O)N[*:1]
CCNc1cc(N2CCN(C(=O)Nc3ccccc3OCC)CC2)nc(C)n1 CCO[*:1] CCNc1cc(nc(C)n1)N1CCN(CC1)C(=O)Nc1ccccc1[*:1]
CNC(=O)C1C2CC3CC(C2)CC1C3 CNC(=O)[*:1] C1C2CC3CC1CC(C2)C3[*:1]
Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)o1 NC(=O)[*:1] Cc1ccc(o1)-c1nc(c2[nH]c(=O)n(-c3ccccc3)c2n1)[*:1]
Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)o1 Cc1ccc(o1)[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2-c1ccccc1)[*:1]
Cc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)-c1nc(C(N)=O)c2[nH]c(=O)n(c2n1)[*:1]
CCOCc1ccccc1CNC(=O)N1CCC[C@H]1c1cccc(OC)c1 CCOC[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)NCc1ccccc1[*:1]
CCOCc1ccccc1CNC(=O)N1CCC[C@H]1c1cccc(OC)c1 CCO[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)NCc1ccccc1C[*:1]
CCOCc1ccccc1CNC(=O)N1CCC[C@H]1c1cccc(OC)c1 COc1cccc(c1)[*:1] CCOCc1ccccc1CNC(=O)N1CCC[C@@H]1[*:1]
COc1ccc(Cn2ccc(=O)c3sccc32)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])Cn1ccc(=O)c2sccc21
CC[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)[C@H](C)C(=O)N[*:1]
C[NH2+]C[C@@H](Cc1ccccc1)c1cccc(C)c1 c1ccc(cc1)[*:1] C[NH2+]C[C@@H](C[*:1])c1cccc(C)c1
CCn1nnnc1-c1cccc(NC(=O)Nc2cn[nH]c2)c1 CCn1nnnc1[*:1] O=C(Nc1cn[nH]c1)Nc1cccc(c1)[*:1]
CCn1nnnc1-c1cccc(NC(=O)Nc2cn[nH]c2)c1 c1n[nH]cc1[*:1] CCn1nnnc1-c1cccc(c1)NC(=O)N[*:1]
O=C(c1ccc(Cl)cc1O)N1C[C@@H](C[NH+]2CCCCC2)[C@@H](CO)C1 Oc1cc(Cl)ccc1[*:1] O=C(N1C[C@@H](C[NH+]2CCCCC2)[C@@H](CO)C1)[*:1]
COC(=O)c1oc(Cn2c(COc3ccccc3)nc3ccccc32)cc1C c1ccc(cc1)O[*:1] COC(=O)c1oc(cc1C)Cn1c(C[*:1])nc2ccccc21
COC(=O)c1oc(Cn2c(COc3ccccc3)nc3ccccc32)cc1C c1ccc(cc1)[*:1] COC(=O)c1oc(cc1C)Cn1c(CO[*:1])nc2ccccc21
COC(=O)c1oc(Cn2c(COc3ccccc3)nc3ccccc32)cc1C c1ccc(cc1)OC[*:1] COC(=O)c1oc(cc1C)Cn1c(nc2ccccc21)[*:1]
COC(=O)c1oc(Cn2c(COc3ccccc3)nc3ccccc32)cc1C COC(=O)[*:1] Cc1cc(Cn2c(COc3ccccc3)nc3ccccc32)oc1[*:1]
COC(=O)c1cc2n(n1)CCN(CC1=Cc3cccc(OC)c3OC1)C2 COC(=O)[*:1] COc1cccc2C=C(COc21)CN1CCn2nc(cc2C1)[*:1]
CC(=O)N1CCN(C(=O)[C@H](C)Nc2cccc(COC(C)C)c2C)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H](C)Nc1cccc(CO[*:1])c1C
CC(=O)N1CCN(C(=O)[C@H](C)Nc2cccc(COC(C)C)c2C)CC1 CC(C)OC[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H](C)Nc1cccc(c1C)[*:1]
CC(=O)N1CCN(C(=O)[C@H](C)Nc2cccc(COC(C)C)c2C)CC1 CC(C)O[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H](C)Nc1cccc(C[*:1])c1C
Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
O=C(C[C@H](O)c1ccccc1)N1CCOCC12CCCC2 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N1CCOCC12CCCC2
CN(CCc1ccccc1)C(=O)c1cccc(-n2ccnc2)c1 c1cn(cn1)[*:1] CN(CCc1ccccc1)C(=O)c1cccc(c1)[*:1]
CN(CCc1ccccc1)C(=O)c1cccc(-n2ccnc2)c1 c1ccc(cc1)C[*:1] CN(C[*:1])C(=O)c1cccc(c1)-n1ccnc1
CN(CCc1ccccc1)C(=O)c1cccc(-n2ccnc2)c1 c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)c1cccc(c1)-n1ccnc1
O=C(Nc1cccnc1)c1ccc(Oc2nccs2)cc1 c1csc(n1)O[*:1] O=C(Nc1cccnc1)c1ccc(cc1)[*:1]
O=C(Nc1cccnc1)c1ccc(Oc2nccs2)cc1 c1csc(n1)[*:1] O=C(Nc1cccnc1)c1ccc(cc1)O[*:1]
O=C(Nc1cccnc1)c1ccc(Oc2nccs2)cc1 c1cncc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)Oc1nccs1
COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCC3)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)c1ccc2CCCc2c1)[*:1]
Cn1cc(C#N)cc1C(=O)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] Cn1cc(C#N)cc1C(=O)N[C@H]1CCN(C1)C[*:1]
Cn1cc(C#N)cc1C(=O)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] Cn1cc(C#N)cc1C(=O)N[C@H]1CCN(C1)[*:1]
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1nnc2ccccn12 Clc1cccc(c1)O[*:1] CC(C)[C@@H](C(=O)N[C@@H](C)c1nnc2ccccn12)[*:1]
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1nnc2ccccn12 CC(C)[*:1] C[C@H](NC(=O)[C@H](Oc1cccc(Cl)c1)[*:1])c1nnc2ccccn12
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1nnc2ccccn12 Clc1cccc(c1)[*:1] CC(C)[C@@H](O[*:1])C(=O)N[C@@H](C)c1nnc2ccccn12
CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](C)C2)c1 CC(C)[*:1] C[C@H]1CN(CCO1)C(=O)c1cccc(c1)S(=O)(=O)N[*:1]
CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](C)C2)c1 CC(C)NS(=O)(=O)[*:1] C[C@H]1CN(CCO1)C(=O)c1cccc(c1)[*:1]
COC[C@@](C)(O)CNS(=O)(=O)c1cc(F)ccc1OC COC[*:1] COc1ccc(F)cc1S(=O)(=O)NC[C@@](C)(O)[*:1]
Cc1ccc(-c2nnc(SCc3csc(CC(=O)Nc4ccccc4C)n3)n2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)Cc1nc(cs1)CSc1nnc(n1C)[*:1]
Cc1ccc(-c2nnc(SCc3csc(CC(=O)Nc4ccccc4C)n3)n2C)cc1 Cc1ccccc1NC(=O)[*:1] Cc1ccc(cc1)-c1nnc(SCc2csc(C[*:1])n2)n1C
Cc1ccc(-c2nnc(SCc3csc(CC(=O)Nc4ccccc4C)n3)n2C)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)-c1nnc(SCc2csc(CC(=O)N[*:1])n2)n1C
COc1ccccc1S(=O)(=O)NC[C@H](c1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] COc1ccccc1S(=O)(=O)NC[C@H]([NH+](C)C)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 CCC[*:1] C[NH+](C)Cc1cc(ccc1F)CNC(=O)N[C@@H]1C[C@H]1[*:1]
CN(C)C(=O)CCNC(=O)C(=O)Nc1cccc(Cl)c1N(C)C CN(C)C(=O)CC[*:1] CN(C)c1c(Cl)cccc1NC(=O)C(=O)N[*:1]
CN(C)C(=O)CCNC(=O)C(=O)Nc1cccc(Cl)c1N(C)C CN(C)C(=O)C[*:1] CN(C)c1c(Cl)cccc1NC(=O)C(=O)NC[*:1]
CN(C)C(=O)CCNC(=O)C(=O)Nc1cccc(Cl)c1N(C)C CN(C)C(=O)[*:1] CN(C)c1c(Cl)cccc1NC(=O)C(=O)NCC[*:1]
CN(C)C(=O)CCNC(=O)C(=O)Nc1cccc(Cl)c1N(C)C CN(C)[*:1] CN(C)C(=O)CCNC(=O)C(=O)Nc1cccc(Cl)c1[*:1]
CC[C@@H](CS)COc1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CC[C@@H](CS)COc1cc(ccc1C)[*:1]
CC[C@@H](C)[C@@H](C[NH3+])c1ccccc1Cl CC[C@@H](C)[*:1] [NH3+]C[C@@H](c1ccccc1Cl)[*:1]
CC[NH+](CCC(=O)OC)CC1CC[NH2+]CC1 COC(=O)[*:1] CC[NH+](CC[*:1])CC1CC[NH2+]CC1
CC[NH+](CCC(=O)OC)CC1CC[NH2+]CC1 COC(=O)C[*:1] CC[NH+](CC1CC[NH2+]CC1)C[*:1]
O=C([C@@H](O)c1ccccc1)N(CCO)Cc1ccsc1 c1cc(cs1)[*:1] O=C([C@@H](O)c1ccccc1)N(CCO)C[*:1]
O=C([C@@H](O)c1ccccc1)N(CCO)Cc1ccsc1 OCC[*:1] O=C([C@@H](O)c1ccccc1)N(Cc1ccsc1)[*:1]
O=C([C@@H](O)c1ccccc1)N(CCO)Cc1ccsc1 c1cc(cs1)C[*:1] O=C([C@@H](O)c1ccccc1)N(CCO)[*:1]
O=C([C@@H](O)c1ccccc1)N(CCO)Cc1ccsc1 c1ccc(cc1)[*:1] O=C([C@@H](O)[*:1])N(CCO)Cc1ccsc1
CCCOc1cccc(NC(=O)C(=O)N[C@H]2CCc3ccccc32)c1 CCCO[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N[C@H]1CCc2ccccc21
CCCOc1cccc(NC(=O)C(=O)N[C@H]2CCc3ccccc32)c1 CCC[*:1] O=C(Nc1cccc(c1)O[*:1])C(=O)N[C@H]1CCc2ccccc21
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1F Fc1ccccc1[*:1] Cc1ccc(cc1NC(=O)CS[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1F O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)CSc1ccccc1F)[*:1]
CC(C)CSCCOc1ccc(C(=O)N(C)C)cc1 CC(C)CSC[*:1] CN(C)C(=O)c1ccc(cc1)OC[*:1]
CC(C)CSCCOc1ccc(C(=O)N(C)C)cc1 CC(C)[*:1] CN(C)C(=O)c1ccc(cc1)OCCSC[*:1]
CC(C)CSCCOc1ccc(C(=O)N(C)C)cc1 CC(C)CS[*:1] CN(C)C(=O)c1ccc(cc1)OCC[*:1]
CC(C)CSCCOc1ccc(C(=O)N(C)C)cc1 CC(C)C[*:1] CN(C)C(=O)c1ccc(cc1)OCCS[*:1]
CC(C)CSCCOc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CC(C)CSCCOc1ccc(cc1)[*:1]
CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccccc3)CC2)s1 CC(C)[*:1] O=C(CCC(=O)N1CCN(CC1)Cc1ccccc1)Nc1nnc(s1)[*:1]
CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccccc3)CC2)s1 CC(C)c1nnc(s1)[*:1] O=C(CCC(=O)N1CCN(CC1)Cc1ccccc1)N[*:1]
CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccccc3)CC2)s1 c1ccc(cc1)C[*:1] CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(CC2)[*:1])s1
CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccccc3)CC2)s1 c1ccc(cc1)[*:1] CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(CC2)C[*:1])s1
COc1ccc(C(=O)COc2cccc(S(C)(=O)=O)c2)cc1F CS(=O)(=O)[*:1] COc1ccc(cc1F)C(=O)COc1cccc(c1)[*:1]
Cn1ncc2c(N3CCN(C(=O)C4(C#N)CCCC4)CC3)ncnc21 N#CC1(CCCC1)[*:1] Cn1ncc2c(ncnc21)N1CCN(CC1)C(=O)[*:1]
CCc1ccccc1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 CCc1ccccc1[*:1] Cc1nc2ccccc2c(=O)n1-c1ccc(cc1)C(=O)N[*:1]
COc1cc(OC)cc(C(=O)Nc2c(C)nn(Cc3cccc(C(F)(F)F)c3)c2C)c1 FC(F)(F)c1cccc(c1)[*:1] COc1cc(cc(c1)C(=O)Nc1c(C)nn(C[*:1])c1C)OC
COc1cc(OC)cc(C(=O)Nc2c(C)nn(Cc3cccc(C(F)(F)F)c3)c2C)c1 FC(F)(F)[*:1] COc1cc(cc(c1)C(=O)Nc1c(C)nn(Cc2cccc(c2)[*:1])c1C)OC
COc1cc(OC)cc(C(=O)Nc2c(C)nn(Cc3cccc(C(F)(F)F)c3)c2C)c1 COc1cc(cc(c1)[*:1])OC Cc1nn(Cc2cccc(c2)C(F)(F)F)c(C)c1NC(=O)[*:1]
O=C(Nc1ccc2ccccc2c1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 C1CCN(CC1)[*:1] O=C(Nc1ccc2ccccc2c1)N1CCN(CC1)c1ccnc(n1)[*:1]
O=C(Nc1ccc2ccccc2c1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 c1ccc2cc(ccc2c1)[*:1] O=C(N[*:1])N1CCN(CC1)c1ccnc(n1)N1CCCCC1
Cc1ccc(CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1O Cc1ccc(cc1O)[*:1] O=C(C[NH+]1CCCC1)N1CCN(CC1)C(=O)C[*:1]
COCCOc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 COC[*:1] O=C(/C=C/c1cccc(c1)OC[*:1])c1ccc(Cl)cc1
COCCOc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 COCC[*:1] O=C(/C=C/c1cccc(c1)O[*:1])c1ccc(Cl)cc1
COCCOc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 COCCO[*:1] O=C(/C=C/c1cccc(c1)[*:1])c1ccc(Cl)cc1
COCCOc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COCCOc1cccc(/C=C/C(=O)[*:1])c1
CC[C@H](c1ccncc1)N(C)C(=O)CCSc1ccccn1 c1ccc(nc1)S[*:1] CC[C@H](c1ccncc1)N(C)C(=O)CC[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)CCSc1ccccn1 c1cc(ccn1)[*:1] CC[C@H](N(C)C(=O)CCSc1ccccn1)[*:1]
CC[C@H](c1ccncc1)N(C)C(=O)CCSc1ccccn1 c1ccc(nc1)[*:1] CC[C@H](c1ccncc1)N(C)C(=O)CCS[*:1]
Cc1noc(CCC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)n1 Cc1noc(C[*:1])n1 C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C[*:1]
Cc1noc(CCC(=O)N(C)[C@@H](C)c2cc(F)ccc2F)n1 Cc1noc(n1)[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CC[*:1]
CC(=O)c1ccc(N[C@@H](c2ccccn2)C(C)C)c([N+](=O)[O-])c1 CC(C)[*:1] CC(=O)c1ccc(N[C@@H](c2ccccn2)[*:1])c(c1)[N+](=O)[O-]
CC(=O)c1ccc(N[C@@H](c2ccccn2)C(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(N[C@@H](c2ccccn2)C(C)C)c(c1)[*:1]
CC(=O)c1ccc(N[C@@H](c2ccccn2)C(C)C)c([N+](=O)[O-])c1 CC(=O)[*:1] CC(C)[C@@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])c1ccccn1
CC(=O)c1ccc(N[C@@H](c2ccccn2)C(C)C)c([N+](=O)[O-])c1 c1ccc(nc1)[*:1] CC(=O)c1ccc(N[C@@H](C(C)C)[*:1])c(c1)[N+](=O)[O-]
O=C(Cc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Cc1ccc(Cl)c(Cl)c1)NNC(=O)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2ccc(-c3nc(C)no3)cc2)CC1 Cc1noc(n1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2ccc(-c3nc(C)no3)cc2)CC1 CCOC(=O)[*:1] Cc1noc(n1)-c1ccc(cc1)C(=O)N1CCC(C)(CC1)[*:1]
O=C(COc1ccccc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 Clc1cccc(c1)[*:1] O=C(COc1ccccc1)N1CCC(CC1)c1cncc(n1)[*:1]
O=C(COc1ccccc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 c1ccc(cc1)OC[*:1] O=C(N1CCC(CC1)c1cncc(n1)-c1cccc(Cl)c1)[*:1]
O=C(COc1ccccc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC(CC1)c1cncc(n1)-c1cccc(Cl)c1
O=C(COc1ccccc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC(CC1)c1cncc(n1)-c1cccc(Cl)c1
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 Cc1ccc(cc1)[*:1] CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccco2)[C@H]2C(=O)N(C(=O)[C@@H]21)[*:1]
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 c1coc(c1)[*:1] CCOC(=O)[C@]1(C)[NH2+][C@H]([C@H]2C(=O)N(C(=O)[C@@H]21)c1ccc(C)cc1)[*:1]
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 CCOC(=O)[*:1] Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H]([NH2+][C@@](C)([C@H]2C1=O)[*:1])c1ccco1
Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1cnn(c1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[*:1]
Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1[*:1]
Cc1noc(C)c1CN1C(=O)N(c2cccc(Cl)c2)c2ncccc2S1(=O)=O Clc1cccc(c1)[*:1] Cc1noc(C)c1CN1C(=O)N(c2ncccc2S1(=O)=O)[*:1]
Cc1noc(C)c1CN1C(=O)N(c2cccc(Cl)c2)c2ncccc2S1(=O)=O Cc1noc(C)c1C[*:1] O=C1N(c2cccc(Cl)c2)c2ncccc2S(=O)(=O)N1[*:1]
Cc1noc(C)c1CN1C(=O)N(c2cccc(Cl)c2)c2ncccc2S1(=O)=O Cc1noc(C)c1[*:1] O=C1N(c2cccc(Cl)c2)c2ncccc2S(=O)(=O)N1C[*:1]
CCC[NH2+][C@H](C1C[C@@H](C)C[C@H](C)C1)[C@]1(C)CCCO1 CCC[*:1] C[C@@H]1CC(C[C@@H](C)C1)[C@@H]([NH2+][*:1])[C@]1(C)CCCO1
CCC[NH2+][C@H](C1C[C@@H](C)C[C@H](C)C1)[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] CCC[NH2+][C@H](C1C[C@@H](C)C[C@H](C)C1)[*:1]
O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccnc1Br C1CN(CCO1)C[*:1] O=C(NC[C@@H](O)[*:1])Nc1cccnc1Br
O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccnc1Br C1CN(CCO1)[*:1] O=C(NC[C@@H](O)C[*:1])Nc1cccnc1Br
O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccnc1Br Brc1ncccc1[*:1] O=C(NC[C@@H](O)CN1CCOCC1)N[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2cccs2)cc1 CC(=O)N[*:1] O=S(=O)(NC[C@@H](O)c1cccs1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2cccs2)cc1 c1csc(c1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NC[C@@H](O)[*:1]
C[C@@H]1C[C@@]2(C)C[C@H](C(=O)O2)[C@@H]1C(=O)OCCOc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H]1C[C@@]2(C)C[C@H](C(=O)O2)[C@@H]1C(=O)OCC[*:1]
C[C@@H]1C[C@@]2(C)C[C@H](C(=O)O2)[C@@H]1C(=O)OCCOc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@]2(C)C[C@H](C(=O)O2)[C@@H]1C(=O)OCCO[*:1]
CC(C)C(=O)N1CCC[C@@H](C(=O)NC2COC2)C1 C1OCC1[*:1] CC(C)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CC(C)C(=O)N1CCC[C@@H](C(=O)NC2COC2)C1 CC(C)[*:1] O=C(NC1COC1)[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1csc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1 N#Cc1ccccc1[*:1] Cc1csc(n1)[C@H](C)NC(=O)Nc1ccc(cc1)O[*:1]
Cc1csc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)Oc1ccccc1C#N)[*:1]
Cc1csc([C@H](C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)n1 N#Cc1ccccc1O[*:1] Cc1csc(n1)[C@H](C)NC(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)c1cccs1 c1csc(c1)[*:1] CC(C)[C@@H](NC(=O)c1nc(ncc1Cl)N1CCOCC1)[*:1]
CC(C)[C@@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)c1cccs1 CC(C)[*:1] O=C(N[C@@H](c1cccs1)[*:1])c1nc(ncc1Cl)N1CCOCC1
CC(C)[C@@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)c1cccs1 C1CN(CCO1)[*:1] CC(C)[C@@H](NC(=O)c1nc(ncc1Cl)[*:1])c1cccs1
COC(=O)[C@H](N)Cc1cc(Cl)cs1 COC(=O)[*:1] N[C@H](Cc1cc(Cl)cs1)[*:1]
Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1C CC(C)(C)NC(=O)[*:1] Cc1ccc(cc1C)N(C(=O)c1csnn1)[C@H](c1ccc(F)cc1)[*:1]
Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)N(C(=O)c1csnn1)[C@H](C(=O)N[*:1])c1ccc(F)cc1
Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1C Cc1ccc(cc1C)[*:1] CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1csnn1)[*:1]
Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1C c1snnc1[*:1] Cc1ccc(cc1C)N(C(=O)[*:1])[C@H](C(=O)NC(C)(C)C)c1ccc(F)cc1
Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)N(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)[*:1]
COc1ccc2[nH]cc(C(=O)NCCCC(=O)NC(C)C)c2n1 CC(C)NC(=O)C[*:1] COc1ccc2[nH]cc(C(=O)NCC[*:1])c2n1
COc1ccc2[nH]cc(C(=O)NCCCC(=O)NC(C)C)c2n1 CC(C)[*:1] COc1ccc2[nH]cc(C(=O)NCCCC(=O)N[*:1])c2n1
COc1ccc2[nH]cc(C(=O)NCCCC(=O)NC(C)C)c2n1 CC(C)NC(=O)[*:1] COc1ccc2[nH]cc(C(=O)NCCC[*:1])c2n1
O=C(NCc1ccc(-n2ccnc2)cc1)c1cc2c(s1)CCCCC2 c1cn(cn1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc2CCCCCc2s1
Cc1ccc(/C=C/c2nn(CN3CCN(C(=O)[C@H]4CCCO4)CC3)c(=S)[nH]2)o1 Cc1ccc(o1)[*:1] O=C([C@H]1CCCO1)N1CCN(CC1)Cn1nc(C=C[*:1])[nH]c1=S
Cc1ccc(/C=C/c2nn(CN3CCN(C(=O)[C@H]4CCCO4)CC3)c(=S)[nH]2)o1 Cc1ccc(C=C[*:1])o1 O=C([C@H]1CCCO1)N1CCN(CC1)Cn1nc([nH]c1=S)[*:1]
CCC[C@@](C)(CO)NC(=O)c1cc(C#N)c[nH]1 CCC[*:1] C[C@@](CO)(NC(=O)c1cc(C#N)c[nH]1)[*:1]
Cc1cc([C@H]([NH2+]C[C@@H]2CCCS2(=O)=O)C(C)C)c(C)s1 CC(C)[*:1] Cc1cc(c(C)s1)[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)[*:1]
CC(C)COc1cncc(N[C@H](C)[C@H](C)CO)n1 CC(C)CO[*:1] C[C@H](CO)[C@@H](C)Nc1cncc(n1)[*:1]
CC(C)COc1cncc(N[C@H](C)[C@H](C)CO)n1 CC(C)[*:1] C[C@H](CO)[C@@H](C)Nc1cncc(n1)OC[*:1]
CC(C)COc1cncc(N[C@H](C)[C@H](C)CO)n1 C[C@H](CO)[*:1] CC(C)COc1cncc(n1)N[C@H](C)[*:1]
CC(C)COc1cncc(N[C@H](C)[C@H](C)CO)n1 CC(C)C[*:1] C[C@H](CO)[C@@H](C)Nc1cncc(n1)O[*:1]
C[C@@H](CCS)CC[NH+]1CCSCC1 SCC[*:1] C[C@@H](CC[NH+]1CCSCC1)[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2csnn2)cc1 CC(C)[C@@H](C)[*:1] O=C(Nc1ccc(cc1)-c1csnn1)C(=O)N[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2csnn2)cc1 c1snnc1[*:1] CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2csnn2)cc1 CC(C)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)-c1csnn1)[*:1]
CCC[C@H](C)[C@@H]1C(=N)NC(=O)N1C CCC[*:1] C[C@H]([C@@H]1C(=N)NC(=O)N1C)[*:1]
C=CCCCCc1ccccc1 C=CCC[*:1] c1ccc(cc1)CC[*:1]
C=CCCCCc1ccccc1 C=CC[*:1] c1ccc(cc1)CCC[*:1]
CC(=O)NCC1CCN(C(=O)C[C@H](C)CCc2ccccc2)CC1 CC(=O)NC[*:1] C[C@H](CCc1ccccc1)CC(=O)N1CCC(CC1)[*:1]
CC(=O)NCC1CCN(C(=O)C[C@H](C)CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CC(=O)NCC1CCN(CC1)C(=O)C[C@H](C)[*:1]
CC(=O)NCC1CCN(C(=O)C[C@H](C)CCc2ccccc2)CC1 CC(=O)N[*:1] C[C@H](CCc1ccccc1)CC(=O)N1CCC(CC1)C[*:1]
CC(=O)NCC1CCN(C(=O)C[C@H](C)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)NCC1CCN(CC1)C(=O)C[C@H](C)CC[*:1]
CC(=O)NCC1CCN(C(=O)C[C@H](C)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC(=O)NCC1CCN(CC1)C(=O)C[C@H](C)C[*:1]
Cc1cccc(OCCNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCCNC(=O)[C@H]1CN(CCO1)C[*:1]
Cc1cccc(OCCNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 Cc1cccc(c1)[*:1] O=C(NCCO[*:1])[C@H]1CN(CCO1)Cc1ccccc1
Cc1cccc(OCCNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)OCCNC(=O)[C@H]1CN(CCO1)[*:1]
Cc1cccc(OCCNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 Cc1cccc(c1)O[*:1] O=C(NCC[*:1])[C@H]1CN(CCO1)Cc1ccccc1
C[NH+](C)CCNC(=O)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 Clc1cccc(c1)C[*:1] C[NH+](C)CCNC(=O)C(=O)Nc1nnc(s1)[*:1]
C[NH+](C)CCNC(=O)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] C[NH+](C)CCNC(=O)C(=O)Nc1nnc(C[*:1])s1
Cc1coc(-c2cccc(NC(=O)NNc3ccc(F)c(F)c3F)c2)n1 Cc1coc(n1)[*:1] O=C(NNc1ccc(F)c(F)c1F)Nc1cccc(c1)[*:1]
COCC[C@H](C)C(=O)NNC(=O)c1cc(OC)ccc1Br COC[*:1] COc1ccc(Br)c(c1)C(=O)NNC(=O)[C@@H](C)C[*:1]
COCC[C@H](C)C(=O)NNC(=O)c1cc(OC)ccc1Br COCC[*:1] COc1ccc(Br)c(c1)C(=O)NNC(=O)[C@@H](C)[*:1]
COCC[C@H](C)C(=O)NNC(=O)c1cc(OC)ccc1Br COCC[C@H](C)[*:1] COc1ccc(Br)c(c1)C(=O)NNC(=O)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(CC1)C(=O)[*:1]
Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(C(=O)c2ccncc2)CC1 Cc1ccc(Cl)cc1[*:1] O=C(c1ccncc1)N1CCC(CC1)CNS(=O)(=O)[*:1]
Cc1ccc(F)c(O[C@H]2CCC[C@](CO)([NH2+]C(C)C)C2)c1 CC(C)[*:1] Cc1ccc(F)c(c1)O[C@H]1CCC[C@@](CO)(C1)[NH2+][*:1]
COc1cccc([C@H]2N=[NH+]C(=S)N2/N=C/c2ccc(OC(C)=O)c(OC)c2)c1 COc1cccc(c1)[*:1] COc1cc(/C=N/N2C(=S)[NH+]=N[C@@H]2[*:1])ccc1OC(C)=O
COc1cccc([C@H]2N=[NH+]C(=S)N2/N=C/c2ccc(OC(C)=O)c(OC)c2)c1 CC(=O)O[*:1] COc1cccc(c1)[C@H]1N=[NH+]C(=S)N1/N=C/c1ccc(c(c1)OC)[*:1]
COc1ccccc1C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 COc1ccccc1[*:1] O=C(N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccccc1C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 Fc1ccccc1[*:1] COc1ccccc1C(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
COc1ccccc1C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 Fc1ccccc1C[*:1] COc1ccccc1C(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CCC(=O)NCC(=O)Nc1cc(C(F)(F)F)ccc1O FC(F)(F)[*:1] CCC(=O)NCC(=O)Nc1cc(ccc1O)[*:1]
CCC(=O)NCC(=O)Nc1cc(C(F)(F)F)ccc1O CCC(=O)N[*:1] O=C(C[*:1])Nc1cc(ccc1O)C(F)(F)F
CCC(=O)NCC(=O)Nc1cc(C(F)(F)F)ccc1O CCC(=O)NC[*:1] O=C(Nc1cc(ccc1O)C(F)(F)F)[*:1]
Cc1nn(CC(=O)N[C@H]2CCOc3ccccc32)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)N[C@H]2CCOc3ccccc32)c(C)c1[*:1]
CCc1ccc(CC(=O)N2CCC(Oc3nc4cc(OC)ccc4s3)CC2)cc1 CCc1ccc(cc1)C[*:1] COc1ccc2sc(nc2c1)OC1CCN(CC1)C(=O)[*:1]
CCc1ccc(CC(=O)N2CCC(Oc3nc4cc(OC)ccc4s3)CC2)cc1 CCc1ccc(cc1)[*:1] COc1ccc2sc(nc2c1)OC1CCN(CC1)C(=O)C[*:1]
CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCc2[nH]ncc2C1 CC(C)[*:1] O=C([C@@H]1Cc2ccccc2CN1C(=O)C[*:1])N1CCc2[nH]ncc2C1
CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCc2[nH]ncc2C1 CC(C)C[*:1] O=C([C@@H]1Cc2ccccc2CN1C(=O)[*:1])N1CCc2[nH]ncc2C1
CC[C@@H](C)C[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 CC[C@@H](C)C[*:1] C[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 CC[C@@H](C)[*:1] C[C@@H](C[*:1])NC(=O)NN[C@]1(C)CCS(=O)(=O)C1
O=C(C1CC1)N1CCC(c2nc3c(c(=O)[nH]2)C[NH+](Cc2cccs2)CC3)CC1 C1CC1[*:1] O=C(N1CCC(CC1)c1nc2CC[NH+](Cc3cccs3)Cc2c(=O)[nH]1)[*:1]
O=C(C1CC1)N1CCC(c2nc3c(c(=O)[nH]2)C[NH+](Cc2cccs2)CC3)CC1 c1csc(c1)[*:1] O=C(C1CC1)N1CCC(CC1)c1nc2CC[NH+](Cc2c(=O)[nH]1)C[*:1]
O=C(C1CC1)N1CCC(c2nc3c(c(=O)[nH]2)C[NH+](Cc2cccs2)CC3)CC1 c1csc(c1)C[*:1] O=C(C1CC1)N1CCC(CC1)c1nc2CC[NH+](Cc2c(=O)[nH]1)[*:1]
O=C(Cc1ccc2c(c1)OCO2)Nc1nc(-c2ccc(Cl)s2)cs1 Clc1ccc(s1)[*:1] O=C(Cc1ccc2OCOc2c1)Nc1nc(cs1)[*:1]
O=C(Nc1ccc2c(c1)OCO2)N1CCC(Oc2nc3c(F)cccc3s2)CC1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])N1CCC(CC1)Oc1nc2c(F)cccc2s1
c1ccc2c(c1)CN(c1nc(-c3ccncc3)nc3c1CCC3)CCO2 c1cc(ccn1)[*:1] c1ccc2OCCN(Cc2c1)c1nc(nc2CCCc21)[*:1]
O=C(/C=C\c1ccccc1)Nc1cc(Cl)ccc1Cl c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1cc(Cl)ccc1Cl
CCC(CC)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C CCC(CC)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+](C)C
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](c1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](C[*:1])NC(=O)[C@@H](c1ccccc1)N1CCCC1
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](c1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCCC1)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](c1ccccc1)N1CCCC1 c1ccc(cc1)C[*:1] CN(C)C(=O)[C@H](NC(=O)[C@@H](c1ccccc1)N1CCCC1)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](c1ccccc1)N1CCCC1 C1CCN(C1)[*:1] CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](c1ccccc1)[*:1]
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](c1ccccc1)N1CCCC1 CN(C)C(=O)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])[C@@H](c1ccccc1)N1CCCC1
NC(=O)c1cc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)ccc1F NC(=O)[*:1] O=S(=O)(/C=C/c1ccc(Br)cc1)[N-]c1ccc(F)c(c1)[*:1]
NC(=O)c1cc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)ccc1F Brc1ccc(cc1)[*:1] NC(=O)c1cc(ccc1F)[N-]S(=O)(=O)C=C[*:1]
Cn1c(CS(=O)(=O)Cc2cccc(Cl)c2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(CS(=O)(=O)Cc2cccc(Cl)c2)nnc1[*:1]
Cn1c(CS(=O)(=O)Cc2cccc(Cl)c2)nnc1-c1ccccc1 Clc1cccc(c1)[*:1] Cn1c(CS(=O)(=O)C[*:1])nnc1-c1ccccc1
Cn1c(CS(=O)(=O)Cc2cccc(Cl)c2)nnc1-c1ccccc1 Clc1cccc(c1)C[*:1] Cn1c(CS(=O)(=O)[*:1])nnc1-c1ccccc1
CCS(=O)(=O)CC(=O)Nc1cc(C)n[nH]1 CCS(=O)(=O)[*:1] Cc1cc(NC(=O)C[*:1])[nH]n1
COc1ccc2[nH]c(C(=O)Nc3ccc(COc4ccccc4OC)cc3)cc2n1 COc1ccccc1O[*:1] COc1ccc2[nH]c(cc2n1)C(=O)Nc1ccc(cc1)C[*:1]
COc1ccc2[nH]c(C(=O)Nc3ccc(COc4ccccc4OC)cc3)cc2n1 COc1ccccc1OC[*:1] COc1ccc2[nH]c(cc2n1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc2[nH]c(C(=O)Nc3ccc(COc4ccccc4OC)cc3)cc2n1 COc1ccccc1[*:1] COc1ccc2[nH]c(cc2n1)C(=O)Nc1ccc(cc1)CO[*:1]
COC(=O)c1cccc(NC(=O)CNC(=O)c2cccs2)c1 c1csc(c1)[*:1] COC(=O)c1cccc(c1)NC(=O)CNC(=O)[*:1]
COC(=O)c1cccc(NC(=O)CNC(=O)c2cccs2)c1 COC(=O)[*:1] O=C(CNC(=O)c1cccs1)Nc1cccc(c1)[*:1]
O=C(CCn1[nH]c(=O)ccc1=O)Nc1nc(-c2ccccn2)cs1 O=c1ccc(=O)n([nH]1)[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1ccccn1
O=C(CCn1[nH]c(=O)ccc1=O)Nc1nc(-c2ccccn2)cs1 c1ccc(nc1)[*:1] O=C(CCn1[nH]c(=O)ccc1=O)Nc1nc(cs1)[*:1]
CCC[C@H](CCCc1c([O-])[nH+]c(N)[nH]c1=O)C(=O)[O-] O=C([O-])[*:1] CCC[C@H](CCCc1c([O-])[nH+]c(N)[nH]c1=O)[*:1]
CCC[C@H](CCCc1c([O-])[nH+]c(N)[nH]c1=O)C(=O)[O-] CCC[*:1] Nc1[nH]c(=O)c(CCC[C@H](C(=O)[O-])[*:1])c([O-])[nH+]1
CN(Cc1cnn(-c2ccccc2)c1)C(=O)NCCNS(C)(=O)=O c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)NCCNS(C)(=O)=O
CN(Cc1cnn(-c2ccccc2)c1)C(=O)NCCNS(C)(=O)=O CS(=O)(=O)NC[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)NC[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)NCCNS(C)(=O)=O CS(=O)(=O)N[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)NCC[*:1]
CN(Cc1cnn(-c2ccccc2)c1)C(=O)NCCNS(C)(=O)=O CS(=O)(=O)NCC[*:1] CN(Cc1cnn(c1)-c1ccccc1)C(=O)N[*:1]
CSc1ccc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 C1CN(CCO1)[*:1] CSc1ccc(cc1)CC(=O)N1CCCC[C@@H]1C[*:1]
CSc1ccc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 CSc1ccc(cc1)[*:1] O=C(C[*:1])N1CCCC[C@@H]1CN1CCOCC1
CSc1ccc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CSc1ccc(cc1)CC(=O)N1CCCC[C@H]1[*:1]
O=C(NC[C@H]1CCC[C@@H](O)C1)NCC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(NC[C@H]1CCC[C@@H](O)C1)NCC1(CCC1)[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCN([C@H](C)c2cccnc2)CC1 Cc1cccc(C)c1[*:1] C[C@H](c1cccnc1)N1CC[NH+](CC1)CC(=O)N[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCN([C@H](C)c2cccnc2)CC1 c1cncc(c1)[*:1] Cc1cccc(C)c1NC(=O)C[NH+]1CCN(CC1)[C@H](C)[*:1]
Cc1cccc(C)c1NC(=O)C[NH+]1CCN([C@H](C)c2cccnc2)CC1 C[C@H](c1cccnc1)[*:1] Cc1cccc(C)c1NC(=O)C[NH+]1CCN(CC1)[*:1]
Cc1nc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)sc1C Cc1nc(sc1C)[*:1] O=C(N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)N[*:1]
CN(C)C(=O)[C@@H]1CCCN1CCC[NH3+] [NH3+]CCC[*:1] CN(C)C(=O)[C@@H]1CCCN1[*:1]
CN(C)C(=O)[C@@H]1CCCN1CCC[NH3+] [NH3+]CC[*:1] CN(C)C(=O)[C@@H]1CCCN1C[*:1]
CC[C@@H](OC(=O)[C@@H](C)C1CCOCC1)c1cc(C)ccc1OC C1CC(CCO1)[*:1] CC[C@@H](OC(=O)[C@@H](C)[*:1])c1cc(C)ccc1OC
CC[C@@H](NC(=O)c1ccc(Br)cc1N)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ccc(Br)cc1N)[*:1]
COc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc(SCC(=O)N[*:1])n2C)n(C)c1=O
C[NH+](CCNC(=O)c1scnc1C1CC1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCNC(=O)c1scnc1C1CC1)[*:1]
C[NH+](CCNC(=O)c1scnc1C1CC1)C1CCCCC1 C1CC1[*:1] C[NH+](CCNC(=O)c1scnc1[*:1])C1CCCCC1
Cc1ccncc1NC(=O)N(C)Cc1ccc(C#N)cc1 Cc1ccncc1[*:1] CN(Cc1ccc(C#N)cc1)C(=O)N[*:1]
O=C(CCCOc1ccc(F)cc1F)Oc1ccc2nccnc2c1 Fc1ccc(c(F)c1)[*:1] O=C(CCCO[*:1])Oc1ccc2nccnc2c1
CC(C)CCOc1ccc(N(C)C(=O)NC(C)C)cc1 CC(C)C[*:1] CC(C)NC(=O)N(C)c1ccc(cc1)OC[*:1]
CC(C)CCOc1ccc(N(C)C(=O)NC(C)C)cc1 CC(C)[*:1] CC(C)CCOc1ccc(cc1)N(C)C(=O)N[*:1]
CC(C)CCOc1ccc(N(C)C(=O)NC(C)C)cc1 CC(C)[*:1] CC(C)NC(=O)N(C)c1ccc(cc1)OCC[*:1]
CC(C)CCOc1ccc(N(C)C(=O)NC(C)C)cc1 CC(C)CC[*:1] CC(C)NC(=O)N(C)c1ccc(cc1)O[*:1]
CC(C)CCOc1ccc(N(C)C(=O)NC(C)C)cc1 CC(C)CCO[*:1] CC(C)NC(=O)N(C)c1ccc(cc1)[*:1]
CCN1C(=O)C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N/c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCN1C(=O)C[C@@H](S/C1=N/c1cccc(c1)[*:1])C(=O)Nc1cccc(c1)C(=O)[O-]
CCN1C(=O)C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N/c1cccc(C(F)(F)F)c1 O=C([O-])c1cccc(c1)[*:1] CCN1C(=O)C[C@@H](S/C1=N/c1cccc(c1)C(F)(F)F)C(=O)N[*:1]
CCN1C(=O)C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N/c1cccc(C(F)(F)F)c1 O=C([O-])[*:1] CCN1C(=O)C[C@@H](S/C1=N/c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(c1)[*:1]
CCN1C(=O)C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N/c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] CCN1C(=O)C[C@@H](SC1=N[*:1])C(=O)Nc1cccc(c1)C(=O)[O-]
Cc1nn2cnnc2c(C)c1CCC(=O)NCc1cccs1 c1csc(c1)C[*:1] Cc1nn2cnnc2c(C)c1CCC(=O)N[*:1]
Cc1nn2cnnc2c(C)c1CCC(=O)NCc1cccs1 c1csc(c1)[*:1] Cc1nn2cnnc2c(C)c1CCC(=O)NC[*:1]
COC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C=CC=N3)c(=O)n2[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C=CC=N3)c(=O)n2[C@H]1[*:1]
COC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C=CC=N3)c(=O)n2[C@@H]1c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@@H]1C(=C(C)N=c2s/c(=C/[C@@H]3C=CC=N3)c(=O)n21)[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NCCCN(C)c3ccccc3)c2)n1 Cc1cc(C)n(n1)[*:1] CN(CCCNC(=O)Nc1cccc(c1)[*:1])c1ccccc1
Cc1cc(C)n(-c2cccc(NC(=O)NCCCN(C)c3ccccc3)c2)n1 CN(C[*:1])c1ccccc1 Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)NCC[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NCCCN(C)c3ccccc3)c2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)NCCCN(C)[*:1]
Cc1cc(C)n(-c2cccc(NC(=O)NCCCN(C)c3ccccc3)c2)n1 CN(c1ccccc1)[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)NCCC[*:1]
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 c1csc(c1)[*:1] CC(C)c1cccc(c1NC(=O)[C@H]1CCCN1C(=O)[*:1])C(C)C
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 CC(C)[*:1] CC(C)c1cccc(c1NC(=O)[C@H]1CCCN1C(=O)c1cccs1)[*:1]
Cc1ccc(CCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NCC[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)Cc1csc(N)n1 Nc1nc(cs1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)C[*:1]
CSCc1ccc(C(=O)N(C)Cc2cc(-c3ccncc3)no2)o1 c1cc(ccn1)[*:1] CSCc1ccc(o1)C(=O)N(C)Cc1cc(no1)[*:1]
CSCc1ccc(C(=O)N(C)Cc2cc(-c3ccncc3)no2)o1 CSC[*:1] CN(Cc1cc(no1)-c1ccncc1)C(=O)c1ccc(o1)[*:1]
CSCc1ccc(C(=O)N(C)Cc2cc(-c3ccncc3)no2)o1 CSCc1ccc(o1)[*:1] CN(Cc1cc(no1)-c1ccncc1)C(=O)[*:1]
Cc1ccc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)c(Cl)n1 NC(=O)[*:1] Cc1ccc(NC(=O)N[C@H](C(C)(C)C)[*:1])c(Cl)n1
Cc1ccc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)c(Cl)n1 CC(C)(C)[*:1] Cc1ccc(NC(=O)N[C@H](C(N)=O)[*:1])c(Cl)n1
CCS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(C)C)C1 CC(C)[*:1] CCS[C@@H]1CC[C@H](C1)NC(=O)C(=O)Nc1ccccc1[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(C)C)C1 CCS[*:1] CC(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@H](C1)[*:1]
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](C)O[*:1]
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl CC[C@@H](C)[*:1] C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CSC[C@@H]1C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl CC[C@@H](C)NC(=O)[*:1] C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CSC[C@@H]1[*:1]
C[C@H](C(=O)[O-])[C@H](C)n1cnc2cc(F)c(F)cc21 O=C([O-])[*:1] C[C@@H]([C@@H](C)[*:1])n1cnc2cc(F)c(F)cc21
Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1 Cc1nc(C)n(n1)[*:1] O=C(c1cc(F)cc(F)c1)N1CCC[C@H](C1)[*:1]
CCCC(=O)Nc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 Cc1cccc(c1C)[*:1] CCCC(=O)Nc1ccc(cc1)C(=O)N1CCN(CC1)[*:1]
CCCC(=O)Nc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 CCCC(=O)N[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 CCC[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@H](C(=O)Nc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O c1ccc(cc1)[*:1] CC[C@H](C(=O)N[*:1])N(c1ccc(Cl)cc1)S(C)(=O)=O
CC[C@H](C(=O)Nc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O Clc1ccc(cc1)[*:1] CC[C@H](C(=O)Nc1ccccc1)N(S(C)(=O)=O)[*:1]
COCC[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)C(C)C COCC[*:1] CC(C)[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)[*:1]
COCC[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)C(C)C COC[*:1] CC(C)[C@H](C[*:1])[NH2+]C[C@H]1CCCS1(=O)=O
COCC[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)C(C)C CC(C)[*:1] COCC[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)[*:1]
COC(=O)c1c(-n2cccc2)c2cc(F)ccc2n1CC(C)=O CC(=O)[*:1] COC(=O)c1c(c2cc(F)ccc2n1C[*:1])-n1cccc1
COC(=O)c1c(-n2cccc2)c2cc(F)ccc2n1CC(C)=O c1ccn(c1)[*:1] COC(=O)c1c(c2cc(F)ccc2n1CC(C)=O)[*:1]
COC(=O)c1c(-n2cccc2)c2cc(F)ccc2n1CC(C)=O CC(=O)C[*:1] COC(=O)c1c(c2cc(F)ccc2n1[*:1])-n1cccc1
COC(=O)c1c(-n2cccc2)c2cc(F)ccc2n1CC(C)=O COC(=O)[*:1] CC(=O)Cn1c(c(c2cc(F)ccc21)-n1cccc1)[*:1]
CCn1cc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] CCn1cc(C(=O)N2CCN(CC2)C(=O)c2ccc(F)c(F)c2)c2nn(c(=O)c-2c1)[*:1]
CCn1cc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 Fc1ccc(cc1F)[*:1] CCn1cc(C(=O)N2CCN(CC2)C(=O)[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
O=C(NC[C@@H](O)CO)Nc1ccc(Br)c(C(F)(F)F)c1 OC[C@H](O)[*:1] O=C(NC[*:1])Nc1ccc(Br)c(c1)C(F)(F)F
O=C(NC[C@@H](O)CO)Nc1ccc(Br)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NC[C@@H](O)CO)Nc1ccc(Br)c(c1)[*:1]
O=C(NC[C@@H](O)CO)Nc1ccc(Br)c(C(F)(F)F)c1 OC[C@H](O)C[*:1] O=C(Nc1ccc(Br)c(c1)C(F)(F)F)N[*:1]
Cc1sc(NC(=O)c2ccccc2Cl)c(C(=O)OC(C)C)c1C Clc1ccccc1[*:1] Cc1sc(NC(=O)[*:1])c(C(=O)OC(C)C)c1C
Cc1sc(NC(=O)c2ccccc2Cl)c(C(=O)OC(C)C)c1C CC(C)[*:1] Cc1sc(NC(=O)c2ccccc2Cl)c(C(=O)O[*:1])c1C
Cc1sc(NC(=O)c2ccccc2Cl)c(C(=O)OC(C)C)c1C CC(C)OC(=O)[*:1] Cc1sc(NC(=O)c2ccccc2Cl)c(c1C)[*:1]
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 c1csc(c1)[*:1] CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
CS(=O)(=O)CCNc1c(C#N)cnc2ccc(OC(F)F)cc12 CS(=O)(=O)CC[*:1] N#Cc1cnc2ccc(cc2c1N[*:1])OC(F)F
CS(=O)(=O)CCNc1c(C#N)cnc2ccc(OC(F)F)cc12 FC(F)O[*:1] CS(=O)(=O)CCNc1c(C#N)cnc2ccc(cc12)[*:1]
CS(=O)(=O)CCNc1c(C#N)cnc2ccc(OC(F)F)cc12 CS(=O)(=O)CCN[*:1] N#Cc1cnc2ccc(cc2c1[*:1])OC(F)F
CS(=O)(=O)CCNc1c(C#N)cnc2ccc(OC(F)F)cc12 CS(=O)(=O)C[*:1] N#Cc1cnc2ccc(cc2c1NC[*:1])OC(F)F
CS(=O)(=O)CCNc1c(C#N)cnc2ccc(OC(F)F)cc12 FC(F)[*:1] CS(=O)(=O)CCNc1c(C#N)cnc2ccc(cc12)O[*:1]
CS(=O)(=O)CCNc1c(C#N)cnc2ccc(OC(F)F)cc12 CS(=O)(=O)[*:1] N#Cc1cnc2ccc(cc2c1NCC[*:1])OC(F)F
CC[C@H](CSC)N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](CSC)N(C)C(=O)Cn1ccc(=O)c(c1)[*:1]
CC[C@H](CSC)N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 CSC[*:1] CC[C@H](N(C)C(=O)Cn1ccc(=O)c(c1)[N+](=O)[O-])[*:1]
O=C(CNC(=O)N[C@@H]1CCC[C@@H](C2CC2)C1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)N[C@@H]1CCC[C@H](C1)C1CC1)N[*:1]
O=C(CNC(=O)N[C@@H]1CCC[C@@H](C2CC2)C1)NCc1ccccc1 C1CC1[*:1] O=C(CNC(=O)N[C@@H]1CCC[C@@H](C1)[*:1])NCc1ccccc1
O=C(CNC(=O)N[C@@H]1CCC[C@@H](C2CC2)C1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)N[C@@H]1CCC[C@H](C1)C1CC1)NC[*:1]
CCOc1cc(NC(=O)c2cn(C)nc2C(C)(C)C)ccc1C CCO[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cn(C)nc1C(C)(C)C
CCOc1cc(NC(=O)c2cn(C)nc2C(C)(C)C)ccc1C CC(C)(C)[*:1] CCOc1cc(ccc1C)NC(=O)c1cn(C)nc1[*:1]
CC(C)[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)N1CCc2ccccc21 CC(C)[*:1] Nn1c(nnc1C(F)(F)F)S[C@H](C(=O)N1CCc2ccccc21)[*:1]
CC(C)[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)N1CCc2ccccc21 FC(F)(F)[*:1] CC(C)[C@H](Sc1nnc(n1N)[*:1])C(=O)N1CCc2ccccc21
Cc1cccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@H]3c2ccc(OCC(N)=O)cc2)c1 Cc1cccc(c1)[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2c1ccc(cc1)OCC(N)=O)SC[*:1]
Cc1cccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@H]3c2ccc(OCC(N)=O)cc2)c1 Cc1cccc(c1)CS[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2c1ccc(cc1)OCC(N)=O)[*:1]
Cc1cccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@H]3c2ccc(OCC(N)=O)cc2)c1 NC(=O)COc1ccc(cc1)[*:1] Cc1cccc(c1)CSc1nc(=O)c2c(NC(=O)C[C@@H]2[*:1])n1C
Cc1cccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@H]3c2ccc(OCC(N)=O)cc2)c1 NC(=O)C[*:1] Cc1cccc(c1)CSc1nc(=O)c2c(NC(=O)C[C@H]2c2ccc(cc2)O[*:1])n1C
Cc1cccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@H]3c2ccc(OCC(N)=O)cc2)c1 NC(=O)[*:1] Cc1cccc(c1)CSc1nc(=O)c2c(NC(=O)C[C@H]2c2ccc(cc2)OC[*:1])n1C
Cc1cccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@H]3c2ccc(OCC(N)=O)cc2)c1 Cc1cccc(c1)C[*:1] Cn1c(nc(=O)c2c1NC(=O)C[C@H]2c1ccc(cc1)OCC(N)=O)S[*:1]
Cc1cccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@H]3c2ccc(OCC(N)=O)cc2)c1 NC(=O)CO[*:1] Cc1cccc(c1)CSc1nc(=O)c2c(NC(=O)C[C@H]2c2ccc(cc2)[*:1])n1C
CCOc1cc(C#N)ccc1OCC(=O)Nc1ccccc1C(F)(F)F CCO[*:1] N#Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(c1)[*:1]
CCOc1cc(C#N)ccc1OCC(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] CCOc1cc(C#N)ccc1OCC(=O)Nc1ccccc1[*:1]
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3cccc(Cl)c3)S2)c1 Cc1cccc(c1)[*:1] CN1C(=O)C[C@H](S/C1=N/c1cccc(Cl)c1)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3cccc(Cl)c3)S2)c1 Clc1cccc(c1)[*:1] Cc1cccc(c1)NC(=O)[C@@H]1CC(=O)N(C)C(=N[*:1])S1
COc1ccc(CSCc2nsc(N(C)C)n2)c(Cl)c1 CN(C)[*:1] COc1ccc(CSCc2nsc(n2)[*:1])c(Cl)c1
CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc(O)cc2)NC(=O)N1 C1CCCC(CCC1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)O[*:1])c1ccc(O)cc1
CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc(O)cc2)NC(=O)N1 Oc1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)OC1CCCCCCC1)[*:1]
O=C(N1CCN(c2ccccc2F)CC1)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1ccccc1F)C1(CC1)[*:1]
O=C(N1CCN(c2ccccc2F)CC1)C1(c2ccc(F)cc2)CC1 Fc1ccccc1[*:1] O=C(N1CCN(CC1)[*:1])C1(CC1)c1ccc(F)cc1
Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)CC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)CC[*:1]
Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)CC[C@H]1CCCO1 C1CO[C@H](C1)CC[*:1] Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)[*:1]
Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)CC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)C[*:1]
Cc1cccc(-c2ncc(C[NH2+]Cc3cc(C)ccc3C)cn2)c1 Cc1cccc(c1)[*:1] Cc1ccc(C)c(c1)C[NH2+]Cc1cnc(nc1)[*:1]
Cc1cccc(-c2ncc(C[NH2+]Cc3cc(C)ccc3C)cn2)c1 Cc1ccc(C)c(c1)[*:1] Cc1cccc(c1)-c1ncc(cn1)C[NH2+]C[*:1]
CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc21 O=C(N1CCCC1)[*:1] CC1(C)CN(C[*:1])c2ccc(cc21)S(=O)(=O)Nc1cccc(Cl)c1
CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc21 O=C(C[*:1])N1CCCC1 CC1(C)CN(c2ccc(cc21)S(=O)(=O)Nc1cccc(Cl)c1)[*:1]
CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc21 Clc1cccc(c1)[*:1] CC1(C)CN(CC(=O)N2CCCC2)c2ccc(cc21)S(=O)(=O)N[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccccc1[*:1]
CC[C@H](C)NC(=O)NCCCc1c(C)nn(C)c1C CC[C@H](C)[*:1] Cc1nn(C)c(C)c1CCCNC(=O)N[*:1]
CCc1cccc(OC[C@H]2Cn3c(nc4c3c(=O)[nH]c(=O)n4C)O2)c1 CCc1cccc(c1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc1O[C@@H](CO[*:1])Cn12
COCCN(Cc1ccccc1)CC(F)(F)F COC[*:1] FC(F)(F)CN(Cc1ccccc1)C[*:1]
COCCN(Cc1ccccc1)CC(F)(F)F FC(F)(F)C[*:1] COCCN(Cc1ccccc1)[*:1]
COCCN(Cc1ccccc1)CC(F)(F)F COCC[*:1] FC(F)(F)CN(Cc1ccccc1)[*:1]
COCCN(Cc1ccccc1)CC(F)(F)F FC(F)(F)[*:1] COCCN(Cc1ccccc1)C[*:1]
COC(C)(C)CCC[C@H](C)[C@H](C)O C[C@H](O)[*:1] COC(C)(C)CCC[C@H](C)[*:1]
Cc1c(Br)cccc1C(=O)N1CCC[C@H](CCC(N)=O)C1 NC(=O)[*:1] Cc1c(Br)cccc1C(=O)N1CCC[C@H](CC[*:1])C1
Cc1c(Br)cccc1C(=O)N1CCC[C@H](CCC(N)=O)C1 NC(=O)CC[*:1] Cc1c(Br)cccc1C(=O)N1CCC[C@H](C1)[*:1]
Cc1c(Br)cccc1C(=O)N1CCC[C@H](CCC(N)=O)C1 NC(=O)C[*:1] Cc1c(Br)cccc1C(=O)N1CCC[C@@H](C1)C[*:1]
CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@H](C)[C@H](C)N1Cc1ccc(F)cc1 CC(C)C(=O)N[*:1] C[C@@H]1[C@H](C)N(Cc2ccc(F)cc2)[C@@H]([C@@H]1c1nc2ccccc2[nH]1)[*:1]
CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@H](C)[C@H](C)N1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@H](C)[C@H](C)N1[*:1]
CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@H](C)[C@H](C)N1Cc1ccc(F)cc1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)C(=O)N[C@@H]1[C@H]([C@H](C)[C@H](C)N1Cc1ccc(F)cc1)[*:1]
CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@H](C)[C@H](C)N1Cc1ccc(F)cc1 CC(C)[*:1] C[C@@H]1[C@H](C)N(Cc2ccc(F)cc2)[C@H](NC(=O)[*:1])[C@@H]1c1nc2ccccc2[nH]1
CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@H](C)[C@H](C)N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@H](C)[C@H](C)N1C[*:1]
COc1ccc2c(-c3ccccc3)cc(Sc3ccc4nnnn4n3)nc2c1 c1ccc(cc1)[*:1] COc1ccc2c(cc(nc2c1)Sc1ccc2nnnn2n1)[*:1]
Cc1cc(C)c(NC(=O)CN(C)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(CC(=O)N[*:1])C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
CCCCNC(=O)C[S@@](=O)[C@H](C)c1cccc(C)c1 CCC[*:1] Cc1cccc(c1)[C@@H](C)[S@](=O)CC(=O)NC[*:1]
CCCCNC(=O)C[S@@](=O)[C@H](C)c1cccc(C)c1 CCCC[*:1] Cc1cccc(c1)[C@@H](C)[S@](=O)CC(=O)N[*:1]
C=CC(=O)NCc1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C=CC(=O)NCc1nc2ccccc2n1CC(=O)[*:1]
C=CC(=O)NCc1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 C=CC(=O)N[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)c1ccc(Cl)cc1
C=CC(=O)NCc1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 C=CC(=O)NC[*:1] O=C(Cn1c(nc2ccccc21)[*:1])c1ccc(Cl)cc1
O=C1CN(Cc2cccc(C(F)(F)F)c2)CCN1 FC(F)(F)[*:1] O=C1CN(CCN1)Cc1cccc(c1)[*:1]
CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[C@H]1CCCC[C@H]1S(C)(=O)=O Fc1ccc(c(F)c1)[*:1] CN(C(=O)[C@@H]1C[C@H]1[*:1])[C@H]1CCCC[C@H]1S(C)(=O)=O
CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[C@H]1CCCC[C@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[C@H]1CCCC[C@@H]1[*:1]
O=C1CSc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cc2N1 c1ccc2[nH]c(nc2c1)[*:1] O=C1CSc2ccc(cc2N1)C(=O)N1CCC[C@@H]1[*:1]
CN1CCN(C2=[NH+]CCN2C(=O)C2CCCC2)CC1 C1CCC(C1)[*:1] CN1CCN(CC1)C1=[NH+]CCN1C(=O)[*:1]
C[C@H]1C[C@H]1C(=O)NCCC(=O)N(C)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H]1C[C@H]1C(=O)NCCC(=O)N(C)C[*:1]
Cc1c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NCCc1ccc(cc1)[N+](=O)[O-]
Cc1c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NCCc1ccc(cc1)[*:1]
COc1ncccc1C(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 C1CCCC(CC1)[*:1] COc1ncccc1C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
COc1ncccc1C(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 COc1ncccc1[*:1] O=C1C[C@H](CN1C1CCCCCC1)NC(=O)[*:1]
COC(=O)COc1ccc(Br)cc1C(C)(C)C COC(=O)C[*:1] CC(C)(C)c1cc(Br)ccc1O[*:1]
COC(=O)COc1ccc(Br)cc1C(C)(C)C COC(=O)[*:1] CC(C)(C)c1cc(Br)ccc1OC[*:1]
COC(=O)COc1ccc(Br)cc1C(C)(C)C CC(C)(C)[*:1] COC(=O)COc1ccc(Br)cc1[*:1]
O=C(COc1ccccc1[N+](=O)[O-])N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 C1CCC(C1)[*:1] O=C(COc1ccccc1[N+](=O)[O-])N([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(COc1ccccc1[N+](=O)[O-])N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] O=C(COc1ccccc1[*:1])N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
CCNc1cc(C(C)C)nc(-c2cscc2C)n1 Cc1cscc1[*:1] CCNc1cc(nc(n1)[*:1])C(C)C
CCNc1cc(C(C)C)nc(-c2cscc2C)n1 CC(C)[*:1] CCNc1cc(nc(n1)-c1cscc1C)[*:1]
CCNc1cc(C(C)C)nc(-c2cscc2C)n1 CCN[*:1] Cc1cscc1-c1nc(cc(n1)[*:1])C(C)C
Cc1cc(O)c(C(C)C)cc1NC(=O)CCc1ccncc1 c1cc(ccn1)C[*:1] Cc1cc(O)c(cc1NC(=O)C[*:1])C(C)C
Cc1cc(O)c(C(C)C)cc1NC(=O)CCc1ccncc1 CC(C)[*:1] Cc1cc(O)c(cc1NC(=O)CCc1ccncc1)[*:1]
Cc1cc(O)c(C(C)C)cc1NC(=O)CCc1ccncc1 c1cc(ccn1)[*:1] Cc1cc(O)c(cc1NC(=O)CC[*:1])C(C)C
CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)C1(CC)CC CN(C)C(=O)[*:1] CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(C)c(c2)[*:1])C1(CC)CC
CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)C1(CC)CC CCO[*:1] CCC1(CC)[C@@H](C[C@H]1[*:1])NC(=O)Nc1ccc(C)c(c1)C(=O)N(C)C
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(F)cc1Cl O=C([O-])[*:1] C[C@H]1[C@@H](CCN1S(=O)(=O)c1ccc(F)cc1Cl)[*:1]
Cc1ccc(C(=O)NNc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1 Cc1cc(cc(C)c1Cl)[*:1] Cc1ccc(cc1)C(=O)NNc1ncnc(O[*:1])c1N
Cc1ccc(C(=O)NNc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1 Cc1ccc(cc1)[*:1] Cc1cc(cc(C)c1Cl)Oc1ncnc(NNC(=O)[*:1])c1N
COc1ccc([C@@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)c(OC)c1OC Ic1ccc(cc1)[*:1] COc1ccc(c(OC)c1OC)[C@@H]1CC(=Nc2ncnn21)[*:1]
CCn1c(C)cc(CNc2ccc(Cl)c(C(N)=O)c2)c1C NC(=O)[*:1] CCn1c(C)cc(CNc2ccc(Cl)c(c2)[*:1])c1C
CC(C)[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])CCS1 CC(C)[*:1] O=C(c1nn(cc1[O-])-c1ccccc1)N1CCS[C@@H](C1)[*:1]
CC(C)[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])CCS1 c1ccc(cc1)[*:1] CC(C)[C@@H]1CN(CCS1)C(=O)c1nn(cc1[O-])[*:1]
C[C@H](O)[C@@H](C)SCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 C[C@H](O)[*:1] C[C@@H](SCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[*:1]
C[C@H](O)[C@@H](C)SCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)O[*:1] C[C@H](O)[C@@H](C)SCC(=O)Nc1ccc(c(Cl)c1)[*:1]
C[C@H](O)[C@@H](C)SCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 FC(F)[*:1] C[C@H](O)[C@@H](C)SCC(=O)Nc1ccc(O[*:1])c(Cl)c1
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCCOC[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCCOC[*:1]
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCCOC[C@@H]1CCOC1 C1C[C@H](CO1)C[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCCO[*:1]
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCCOC[C@@H]1CCOC1 C1C[C@H](CO1)COC[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCC[*:1]
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCCOC[C@@H]1CCOC1 C1C[C@H](CO1)CO[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCC[*:1]
CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)Cn2ccnc2)n(C)c1 c1cn(cn1)[*:1] CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C[*:1])n(C)c1
CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)Cn2ccnc2)n(C)c1 c1cn(cn1)C[*:1] CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[*:1])n(C)c1
CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)Cn2ccnc2)n(C)c1 CNS(=O)(=O)[*:1] C[C@@H](Cn1ccnc1)NC(=O)c1cc(cn1C)[*:1]
COc1cccc([C@@H]2CCCN2C(=O)Nc2c(C)cccc2OC(F)F)c1 FC(F)[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1c(C)cccc1O[*:1]
COc1cccc([C@@H]2CCCN2C(=O)Nc2c(C)cccc2OC(F)F)c1 COc1cccc(c1)[*:1] Cc1cccc(OC(F)F)c1NC(=O)N1CCC[C@H]1[*:1]
COc1cccc([C@@H]2CCCN2C(=O)Nc2c(C)cccc2OC(F)F)c1 FC(F)O[*:1] COc1cccc(c1)[C@@H]1CCCN1C(=O)Nc1c(C)cccc1[*:1]
Cn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 O=[N+]([O-])[*:1] Cn1c(nnc1-c1ccccc1)SCCC(=O)Nc1ccc(cc1)[*:1]
Cn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCCC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Cn1c(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cn1c(nnc1-c1ccccc1)SCCC(=O)N[*:1]
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 O=C(N1CCCCC1)[*:1] COc1ccccc1-c1nn(cc1C(=O)N1CCN(CC1)C[*:1])-c1ccccc1
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 COc1ccccc1[*:1] O=C(CN1CCN(CC1)C(=O)c1cn(nc1[*:1])-c1ccccc1)N1CCCCC1
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 c1ccc(cc1)[*:1] COc1ccccc1-c1nn(cc1C(=O)N1CCN(CC1)CC(=O)N1CCCCC1)[*:1]
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 O=C(C[*:1])N1CCCCC1 COc1ccccc1-c1nn(cc1C(=O)N1CCN(CC1)[*:1])-c1ccccc1
C[C@H](NC(=O)NC1C(C)(C)C1(C)C)C(=O)[O-] C[C@H](C(=O)[O-])[*:1] CC1(C)C(NC(=O)N[*:1])C1(C)C
C[C@H](NC(=O)NC1C(C)(C)C1(C)C)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)NC1C(C)(C)C1(C)C)[*:1]
C[C@@H]1CN(c2cc(CNC(=O)c3c(F)cccc3F)cc[nH+]2)CCO1 Fc1cccc(F)c1[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)[*:1]
Cc1c(NC(=O)[C@H](C)CSc2ccccc2)cccc1N1CCOC1=O c1ccc(cc1)S[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)[C@H](C)C[*:1]
Cc1c(NC(=O)[C@H](C)CSc2ccccc2)cccc1N1CCOC1=O c1ccc(cc1)[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)[C@H](C)CS[*:1]
Cc1c(NC(=O)[C@H](C)CSc2ccccc2)cccc1N1CCOC1=O c1ccc(cc1)SC[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)[C@H](C)[*:1]
Cc1c(NC(=O)[C@H](C)CSc2ccccc2)cccc1N1CCOC1=O O=C1OCCN1[*:1] Cc1c(cccc1[*:1])NC(=O)[C@H](C)CSc1ccccc1
COc1ccccc1C[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 C1CO[C@H](C1)[*:1] COc1ccccc1C[C@H]1CCCN(C1)C(=O)[*:1]
c1ccc(-n2c(SC[C@@H]3CCCO3)nnc2-c2ccncc2)cc1 c1cc(ccn1)[*:1] c1ccc(cc1)-n1c(nnc1[*:1])SC[C@@H]1CCCO1
c1ccc(-n2c(SC[C@@H]3CCCO3)nnc2-c2ccncc2)cc1 c1ccc(cc1)[*:1] c1cc(ccn1)-c1nnc(SC[C@@H]2CCCO2)n1[*:1]
Cc1ccccc1N1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C Cc1ccccc1[*:1] C[C@H]1CCC[C@@H](NC(=O)[C@]2(C)Cn3c(cc4occc43)C(=O)N2[*:1])[C@H]1C
CC[C@@H](C)[C@H](C)NC(=O)N[C@@H](c1ccc(OC)cc1)C1CCOCC1 CC[C@@H](C)[*:1] COc1ccc(cc1)[C@H](NC(=O)N[C@@H](C)[*:1])C1CCOCC1
CC[C@@H](C)[C@H](C)NC(=O)N[C@@H](c1ccc(OC)cc1)C1CCOCC1 C1CC(CCO1)[*:1] CC[C@@H](C)[C@H](C)NC(=O)N[C@@H](c1ccc(cc1)OC)[*:1]
CC[C@@H](C)[C@H](C)NC(=O)N[C@@H](c1ccc(OC)cc1)C1CCOCC1 COc1ccc(cc1)[*:1] CC[C@@H](C)[C@H](C)NC(=O)N[C@@H](C1CCOCC1)[*:1]
C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1nc2ccccc2[n-]1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@@H](C)[*:1])S(=O)(=O)c1nc2ccccc2[n-]1
CCCSc1nnc(NC(=O)c2cc(-c3ccc(C)cc3)on2)s1 CCCS[*:1] Cc1ccc(cc1)-c1cc(no1)C(=O)Nc1nnc(s1)[*:1]
CCCSc1nnc(NC(=O)c2cc(-c3ccc(C)cc3)on2)s1 CCC[*:1] Cc1ccc(cc1)-c1cc(no1)C(=O)Nc1nnc(S[*:1])s1
CCCSc1nnc(NC(=O)c2cc(-c3ccc(C)cc3)on2)s1 Cc1ccc(cc1)[*:1] CCCSc1nnc(NC(=O)c2cc(on2)[*:1])s1
O=c1c2nnn(-c3cccc(Cl)c3)c2ncn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 Clc1cccc(c1)[*:1] O=c1c2nnn(c2ncn1Cc1nc(no1)-c1cccc(c1)C(F)(F)F)[*:1]
O=c1c2nnn(-c3cccc(Cl)c3)c2ncn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 FC(F)(F)c1cccc(c1)[*:1] O=c1c2nnn(-c3cccc(Cl)c3)c2ncn1Cc1nc(no1)[*:1]
O=c1c2nnn(-c3cccc(Cl)c3)c2ncn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] O=c1c2nnn(-c3cccc(Cl)c3)c2ncn1Cc1nc(no1)-c1cccc(c1)[*:1]
C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@H](C)n3cncn3)CC2)S1 c1ncn(n1)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)[C@H](C)[*:1]
C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@H](C)n3cncn3)CC2)S1 C[C@H](n1cncn1)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1cc(CC(C)C)n[nH]1 CC(C)C[*:1] CCS(=O)(=O)CCN(C)C(=O)c1cc(n[nH]1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1cc(CC(C)C)n[nH]1 CC(C)[*:1] CCS(=O)(=O)CCN(C)C(=O)c1cc(C[*:1])n[nH]1
CCS(=O)(=O)CCN(C)C(=O)c1cc(CC(C)C)n[nH]1 CCS(=O)(=O)C[*:1] CC(C)Cc1cc([nH]n1)C(=O)N(C)C[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1cc(CC(C)C)n[nH]1 CCS(=O)(=O)[*:1] CC(C)Cc1cc([nH]n1)C(=O)N(C)CC[*:1]
CC(C)c1cc(Br)ccc1NC(=O)N(C)C(C)C CC(C)[*:1] CC(C)N(C)C(=O)Nc1ccc(Br)cc1[*:1]
CC(C)c1cc(Br)ccc1NC(=O)N(C)C(C)C CC(C)[*:1] CC(C)c1cc(Br)ccc1NC(=O)N(C)[*:1]
CCN(CC)C(=O)CN1CCC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 CCN(CC)C(=O)[*:1] O=C(C[NH+]1CCCN(CC1)C[*:1])Nc1ccc(F)cc1F
CCN(CC)C(=O)CN1CCC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 CCN(CC)C(=O)C[*:1] O=C(C[NH+]1CCCN(CC1)[*:1])Nc1ccc(F)cc1F
CCN(CC)C(=O)CN1CCC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] CCN(CC)C(=O)CN1CCC[NH+](CC1)CC(=O)N[*:1]
Cc1cc(Cl)c(S(=O)(=O)N2CCN(CC#N)CC2)cc1[N+](=O)[O-] N#CC[*:1] Cc1cc(Cl)c(cc1[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)[*:1]
Cc1cc(Cl)c(S(=O)(=O)N2CCN(CC#N)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(Cl)c(cc1[*:1])S(=O)(=O)N1CCN(CC#N)CC1
CCCCc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 CCC[*:1] O=S(=O)(Nc1ccc(cc1)C[*:1])c1cccc(F)c1
CCCCc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 CCCC[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1cccc(F)c1
CCCCc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CCCCc1ccc(cc1)NS(=O)(=O)[*:1]
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)c2ccccn2)C1 CC(C)[*:1] C[C@H](c1ccccn1)N(C)C(=O)[C@@H]1CCCN(C1)C(=O)NC[*:1]
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)c2ccccn2)C1 C[C@H](c1ccccn1)[*:1] CC(C)CNC(=O)N1CCC[C@H](C1)C(=O)N(C)[*:1]
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)c2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)CNC(=O)N1CCC[C@H](C1)C(=O)N(C)[C@H](C)[*:1]
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)c2ccccn2)C1 CC(C)C[*:1] C[C@H](c1ccccn1)N(C)C(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1ccc([C@@H](O)[C@@H](C)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)N[C@H](C)c1nc(cs1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)N[C@H](C)c2nc(-c3ccccc3)cs2)cc1 COc1ccc(cc1)[*:1] C[C@@H](N[C@H](C)[C@H](O)[*:1])c1nc(cs1)-c1ccccc1
O=C(Nc1ccc(F)cc1OCC1CC1)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(Nc1ccc(F)cc1OCC1CC1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(F)cc1OCC1CC1)C1CCN(C(=O)C2CC2)CC1 C1CC1CO[*:1] O=C(Nc1ccc(F)cc1[*:1])C1CCN(CC1)C(=O)C1CC1
O=C(Nc1ccc(F)cc1OCC1CC1)C1CCN(C(=O)C2CC2)CC1 C1CC1C[*:1] O=C(Nc1ccc(F)cc1O[*:1])C1CCN(CC1)C(=O)C1CC1
O=C(Nc1ccc(F)cc1OCC1CC1)C1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(Nc1ccc(F)cc1OC[*:1])C1CCN(CC1)C(=O)C1CC1
Cc1cc2c(cc1C)O[C@@H](C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)C2 CS(=O)(=O)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N(C)[C@H]1CCCC[C@H]1[*:1]
C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1nn(C)cc1C(N)=O Brc1ccc(cc1)[*:1] C[C@@H](C[*:1])C(=O)Nc1nn(C)cc1C(N)=O
C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1nn(C)cc1C(N)=O NC(=O)[*:1] C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1nn(C)cc1[*:1]
NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(Cl)cc1F NC(=O)[*:1] O=C(COC(=O)c1ccc(Cl)cc1F)Nc1sccc1[*:1]
CC(C)(C)c1cc(C(=O)Nc2cccc(Cl)c2Cl)ccn1 CC(C)(C)[*:1] O=C(Nc1cccc(Cl)c1Cl)c1ccnc(c1)[*:1]
Cc1ccc([C@@H](C)OC(=O)[C@H](C)n2cccn2)cc1[N+](=O)[O-] C[C@H](n1cccn1)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@@H](C)OC(=O)[*:1]
Cc1ccc([C@@H](C)OC(=O)[C@H](C)n2cccn2)cc1[N+](=O)[O-] c1cnn(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@@H](C)OC(=O)[C@H](C)[*:1]
Cc1ccc([C@@H](C)OC(=O)[C@H](C)n2cccn2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@@H](C)OC(=O)[C@H](C)n1cccn1
O=C(Nc1ccccc1N1CCCCCC1)c1ccco1 C1CCCN(CC1)[*:1] O=C(Nc1ccccc1[*:1])c1ccco1
O=C(Nc1ccccc1N1CCCCCC1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccccc1N1CCCCCC1)[*:1]
Cc1sc(NC(=O)C2CC2)c(C(=O)NC[C@@H](C)Oc2ccccc2)c1C O=C(N[*:1])C1CC1 Cc1sc(c(C(=O)NC[C@@H](C)Oc2ccccc2)c1C)[*:1]
Cc1sc(NC(=O)C2CC2)c(C(=O)NC[C@@H](C)Oc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1sc(NC(=O)C2CC2)c(C(=O)NC[C@@H](C)O[*:1])c1C
Cc1sc(NC(=O)C2CC2)c(C(=O)NC[C@@H](C)Oc2ccccc2)c1C C1CC1[*:1] Cc1sc(NC(=O)[*:1])c(C(=O)NC[C@@H](C)Oc2ccccc2)c1C
Cc1sc(NC(=O)C2CC2)c(C(=O)NC[C@@H](C)Oc2ccccc2)c1C c1ccc(cc1)O[*:1] Cc1sc(NC(=O)C2CC2)c(C(=O)NC[C@@H](C)[*:1])c1C
CCC1(C[NH2+]Cc2cnc(N3CCOCC3)nc2)CCC1 CCC1(CCC1)[*:1] c1nc(ncc1C[NH2+]C[*:1])N1CCOCC1
CCC1(C[NH2+]Cc2cnc(N3CCOCC3)nc2)CCC1 CCC1(CCC1)C[*:1] c1nc(ncc1C[NH2+][*:1])N1CCOCC1
CCC1(C[NH2+]Cc2cnc(N3CCOCC3)nc2)CCC1 C1CN(CCO1)[*:1] CCC1(CCC1)C[NH2+]Cc1cnc(nc1)[*:1]
Cc1csc(N(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N(C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1])c1ccccc1
Cc1csc(N(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c2ccccc2)n1 Cc1csc(n1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N(c2ccccc2)[*:1])C1=O)c1ccccc1
Cc1csc(N(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)N(C(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccccc1)[*:1]
CCc1onc(C)c1NC(=O)c1ccc(COc2ccccc2C#N)o1 CCc1onc(C)c1[*:1] N#Cc1ccccc1OCc1ccc(o1)C(=O)N[*:1]
CCc1onc(C)c1NC(=O)c1ccc(COc2ccccc2C#N)o1 N#Cc1ccccc1[*:1] CCc1onc(C)c1NC(=O)c1ccc(CO[*:1])o1
C[C@H]1CN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](O1)[*:1])C(=O)Nc1ccc(cc1)N1CCCC1=O
C[C@H]1CN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H](c2ccccc2)O1 O=C1CCCN1[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CC1CCN(c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)CC1 c1ccc(cc1)C[*:1] CC1CCN(CC1)c1nc2c(c(=O)n(c(=O)n2C)[*:1])n1C
CC1CCN(c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)c1nc2c(c(=O)n(C[*:1])c(=O)n2C)n1C
CC1CCN(c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)CC1 CC1CCN(CC1)[*:1] Cn1c(nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C)[*:1]
CC(=O)c1ccccc1C(=O)NC[C@]1(O)CCSC1 CC(=O)[*:1] O=C(NC[C@]1(O)CCSC1)c1ccccc1[*:1]
Cc1nc(CC(=O)N(C)Cc2ccc(C(C)C)cc2)cs1 Cc1nc(cs1)C[*:1] CC(C)c1ccc(cc1)CN(C)C(=O)[*:1]
Cc1nc(CC(=O)N(C)Cc2ccc(C(C)C)cc2)cs1 Cc1nc(cs1)[*:1] CC(C)c1ccc(cc1)CN(C)C(=O)C[*:1]
Cc1nc(CC(=O)N(C)Cc2ccc(C(C)C)cc2)cs1 CC(C)[*:1] Cc1nc(cs1)CC(=O)N(C)Cc1ccc(cc1)[*:1]
CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(CC(C)C)s3)cc2)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(C[*:1])s1
CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(CC(C)C)s3)cc2)CC1 CC(C)Cc1nnc(s1)[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(CC(C)C)s3)cc2)CC1 CC(C)C[*:1] CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(s1)[*:1]
Cc1c(OC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cccc1[N+](=O)[O-] c1csc(c1)[*:1] Cc1c(cccc1[N+](=O)[O-])OC(=O)[C@H]1CCCN1C(=O)C[*:1]
Cc1c(OC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])OC(=O)[C@H]1CCCN1C(=O)Cc1cccs1
Cc1c(OC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cccc1[N+](=O)[O-] c1csc(c1)C[*:1] Cc1c(cccc1[N+](=O)[O-])OC(=O)[C@H]1CCCN1C(=O)[*:1]
CSCCCCNC(=O)[C@H](C)c1ccc(Br)s1 CSCCC[*:1] C[C@@H](C(=O)NC[*:1])c1ccc(Br)s1
CSCCCCNC(=O)[C@H](C)c1ccc(Br)s1 CSC[*:1] C[C@@H](C(=O)NCCC[*:1])c1ccc(Br)s1
CSCCCCNC(=O)[C@H](C)c1ccc(Br)s1 CSCC[*:1] C[C@@H](C(=O)NCC[*:1])c1ccc(Br)s1
COCCn1c(=O)/c(=C\c2ccc(C)cc2)s/c1=C(/C#N)C(=O)N1CCCC1 COCC[*:1] Cc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N3CCCC3)n(c2=O)[*:1])cc1
COCCn1c(=O)/c(=C\c2ccc(C)cc2)s/c1=C(/C#N)C(=O)N1CCCC1 Cc1ccc(cc1)[*:1] COCCn1c(=O)c(=C[*:1])s/c1=C(/C#N)C(=O)N1CCCC1
COCCn1c(=O)/c(=C\c2ccc(C)cc2)s/c1=C(/C#N)C(=O)N1CCCC1 COC[*:1] Cc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N3CCCC3)n(C[*:1])c2=O)cc1
COCCn1c(=O)/c(=C\c2ccc(C)cc2)s/c1=C(/C#N)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] COCCn1c(=O)/c(=C\c2ccc(C)cc2)sc1=C(C#N)[*:1]
[NH3+][C@H]1C=C[C@@H](C(=O)N(Cc2ccco2)C2CCCC2)C1 c1coc(c1)[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)N(C[*:1])C1CCCC1
[NH3+][C@H]1C=C[C@@H](C(=O)N(Cc2ccco2)C2CCCC2)C1 C1CCC(C1)[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)N(Cc1ccco1)[*:1]
[NH3+][C@H]1C=C[C@@H](C(=O)N(Cc2ccco2)C2CCCC2)C1 c1coc(c1)C[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)N(C1CCCC1)[*:1]
COc1cc(OC)cc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 c1ccc2cc(ccc2c1)[*:1] COc1cc(cc(c1)C(=O)NC(=S)Nc1nc(cs1)[*:1])OC
COc1cc(OC)cc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 COc1cc(cc(c1)[*:1])OC O=C(NC(=S)Nc1nc(cs1)-c1ccc2ccccc2c1)[*:1]
O=C(/C=C/c1c(Cl)nc2sccn12)NCCc1cc(F)cc2c1OCOC2 Clc1nc2sccn2c1[*:1] O=C(C=C[*:1])NCCc1cc(F)cc2COCOc12
COc1cc(C(=O)N/N=C/C2CCCCC2)cc(OC)c1OC C1CCC(CC1)[*:1] COc1cc(cc(OC)c1OC)C(=O)NN=C[*:1]
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCCN21 FC(F)(F)c1cccc(c1)[*:1] O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@H]2[C@@H]2CCCN21)[*:1]
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCCN21 O=C(c1ccc(Cl)cc1)[*:1] O=C1[C@H]2[C@@H]3CCCN3[C@@H]([C@@H]2C(=O)N1c1cccc(c1)C(F)(F)F)[*:1]
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCCN21 Clc1ccc(cc1)[*:1] O=C1[C@H]2[C@@H]3CCCN3[C@H](C(=O)[*:1])[C@@H]2C(=O)N1c1cccc(c1)C(F)(F)F
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCCN21 FC(F)(F)[*:1] O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@H]2[C@@H]2CCCN21)c1cccc(c1)[*:1]
CCC1CCC(CNc2ccc(C#N)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CCC1CCC(CC1)CNc1ccc(C#N)c(c1)[*:1]
C[NH+]1CCN(c2ccc(C(=O)NC3CCCC3)cc2[N+](=O)[O-])CC1 C1CCC(C1)[*:1] C[NH+]1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
C[NH+]1CCN(c2ccc(C(=O)NC3CCCC3)cc2[N+](=O)[O-])CC1 O=C(NC1CCCC1)[*:1] C[NH+]1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
C[NH+]1CCN(c2ccc(C(=O)NC3CCCC3)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] C[NH+]1CCN(CC1)c1ccc(cc1[*:1])C(=O)NC1CCCC1
CCOc1nnc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)s1 O=[N+]([O-])[*:1] CCOc1nnc(CN(C)Cc2cc(ccc2Cl)[*:1])s1
CCOc1nnc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)s1 CCO[*:1] CN(Cc1nnc(s1)[*:1])Cc1cc(ccc1Cl)[N+](=O)[O-]
CCn1c(SCC(=O)c2ccccc2)nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CCn1c(nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1)SCC(=O)[*:1]
CCn1c(SCC(=O)c2ccccc2)nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 O=C(CS[*:1])c1ccccc1 CCn1c(nnc1[*:1])[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1
CCn1c(SCC(=O)c2ccccc2)nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 O=C(c1ccccc1)[*:1] CCn1c(nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1)SC[*:1]
CCn1c(SCC(=O)c2ccccc2)nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCn1c(nnc1[C@@H]1CCCN1C(=O)[*:1])SCC(=O)c1ccccc1
CCn1c(SCC(=O)c2ccccc2)nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 O=C(C[*:1])c1ccccc1 CCn1c(nnc1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1)S[*:1]
Cc1cccc(-c2ccccc2C(=O)N2CCC[C@](CO)(Cc3ccccc3F)C2)c1 Fc1ccccc1[*:1] Cc1cccc(c1)-c1ccccc1C(=O)N1CCC[C@@](CO)(C1)C[*:1]
Cc1cccc(-c2ccccc2C(=O)N2CCC[C@](CO)(Cc3ccccc3F)C2)c1 Fc1ccccc1C[*:1] Cc1cccc(c1)-c1ccccc1C(=O)N1CCC[C@](CO)(C1)[*:1]
Cc1cccc(-c2ccccc2C(=O)N2CCC[C@](CO)(Cc3ccccc3F)C2)c1 Cc1cccc(c1)[*:1] O=C(c1ccccc1[*:1])N1CCC[C@](CO)(Cc2ccccc2F)C1
COc1ccc([C@]2(O)CC(c3ccc(Br)cc3)=[N+]3CCCCCN32)cc1 COc1ccc(cc1)[*:1] O[C@@]1(CC(c2ccc(Br)cc2)=[N+]2CCCCCN21)[*:1]
COc1ccc([C@]2(O)CC(c3ccc(Br)cc3)=[N+]3CCCCCN32)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)[C@]1(O)CC(=[N+]2CCCCCN21)[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1nccn2ccnc12 CC(C)(C)[*:1] O=C(NC[C@H]1CCCC[C@H]1NC(=O)c1nccn2ccnc12)O[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1nccn2ccnc12 CC(C)(C)OC(=O)NC[*:1] O=C(N[C@@H]1CCCC[C@@H]1[*:1])c1nccn2ccnc12
CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1nccn2ccnc12 CC(C)(C)OC(=O)N[*:1] O=C(N[C@@H]1CCCC[C@@H]1C[*:1])c1nccn2ccnc12
CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1nccn2ccnc12 c1cn2ccnc2c(n1)[*:1] CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)[*:1]
CC(=O)c1nc2ccccc2n1C[C@H]1CCCCN1C(=O)OCc1ccccc1 CC(=O)[*:1] O=C(OCc1ccccc1)N1CCCC[C@@H]1Cn1c(nc2ccccc21)[*:1]
CC(=O)c1nc2ccccc2n1C[C@H]1CCCCN1C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] CC(=O)c1nc2ccccc2n1C[C@H]1CCCCN1C(=O)O[*:1]
CC(=O)c1nc2ccccc2n1C[C@H]1CCCCN1C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] CC(=O)c1nc2ccccc2n1C[C@H]1CCCCN1C(=O)OC[*:1]
CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cs1 CCO[*:1] C[C@@H](c1nc(cs1)CN1CCN(CC1)C(=O)[C@H]1CCCO1)[*:1]
CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cs1 C1CO[C@H](C1)[*:1] CCO[C@@H](C)c1nc(cs1)CN1CCN(CC1)C(=O)[*:1]
CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cs1 CCO[C@@H](C)[*:1] O=C([C@H]1CCCO1)N1CCN(CC1)Cc1csc(n1)[*:1]
O=C(NCc1ccc(C(=O)Nc2cccnc2)cc1)c1cc2sccn2c1 c1cncc(c1)[*:1] O=C(NCc1ccc(cc1)C(=O)N[*:1])c1cc2sccn2c1
O=C(NCc1ccc(C(=O)Nc2cccnc2)cc1)c1cc2sccn2c1 O=C(Nc1cccnc1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc2sccn2c1
O=C(NCc1ccccc1F)N(Cc1ccncc1)C[C@@H]1CCCO1 Fc1ccccc1C[*:1] O=C(N[*:1])N(Cc1ccncc1)C[C@@H]1CCCO1
O=C(NCc1ccccc1F)N(Cc1ccncc1)C[C@@H]1CCCO1 c1cc(ccn1)[*:1] O=C(NCc1ccccc1F)N(C[C@@H]1CCCO1)C[*:1]
O=C(NCc1ccccc1F)N(Cc1ccncc1)C[C@@H]1CCCO1 c1cc(ccn1)C[*:1] O=C(NCc1ccccc1F)N(C[C@@H]1CCCO1)[*:1]
O=C(NCc1ccccc1F)N(Cc1ccncc1)C[C@@H]1CCCO1 Fc1ccccc1[*:1] O=C(NC[*:1])N(Cc1ccncc1)C[C@@H]1CCCO1
CC[C@@H](C(=O)n1nc(-c2ccccc2C)nc1N)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)n1nc(nc1N)-c1ccccc1C)[*:1]
CC[C@@H](C(=O)n1nc(-c2ccccc2C)nc1N)c1ccccc1 Cc1ccccc1[*:1] CC[C@@H](C(=O)n1nc(nc1N)[*:1])c1ccccc1
CC(=O)Nc1ccc(F)c(NCC(=O)N(C)Cc2ccccc2C)c1 Cc1ccccc1[*:1] CC(=O)Nc1ccc(F)c(c1)NCC(=O)N(C)C[*:1]
CC(=O)Nc1ccc(F)c(NCC(=O)N(C)Cc2ccccc2C)c1 Cc1ccccc1C[*:1] CC(=O)Nc1ccc(F)c(c1)NCC(=O)N(C)[*:1]
CC(=O)Nc1ccc(F)c(NCC(=O)N(C)Cc2ccccc2C)c1 CC(=O)N[*:1] Cc1ccccc1CN(C)C(=O)CNc1cc(ccc1F)[*:1]
O=C1CCCC[C@H]1[C@@H]1CCCN1CC(F)F FC(F)[*:1] O=C1CCCC[C@H]1[C@@H]1CCCN1C[*:1]
O=C1CCCC[C@H]1[C@@H]1CCCN1CC(F)F FC(F)C[*:1] O=C1CCCC[C@H]1[C@@H]1CCCN1[*:1]
Cc1ccc2nc(N(CC[NH+]3CCOCC3)C(=O)c3ccccc3Cl)sc2c1 Clc1ccccc1[*:1] Cc1ccc2nc(sc2c1)N(CC[NH+]1CCOCC1)C(=O)[*:1]
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)Cc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C[*:1]
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)Cc1ccc(C)cc1C Cc1ccc(C[*:1])c(C)c1 CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)[*:1]
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)Cc1ccc(C)cc1C CC[C@@H](C)[*:1] Cc1ccc(C[C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[*:1])c(C)c1
Cn1c(CS(=O)(=O)CCCc2ccccc2)nnc1C1CC1 c1ccc(cc1)C[*:1] Cn1c(CS(=O)(=O)CC[*:1])nnc1C1CC1
Cn1c(CS(=O)(=O)CCCc2ccccc2)nnc1C1CC1 C1CC1[*:1] Cn1c(CS(=O)(=O)CCCc2ccccc2)nnc1[*:1]
Cn1c(CS(=O)(=O)CCCc2ccccc2)nnc1C1CC1 c1ccc(cc1)[*:1] Cn1c(CS(=O)(=O)CCC[*:1])nnc1C1CC1
COC(C)(C)c1noc([C@H]2CCCC[C@@H]2O)n1 COC(C)(C)[*:1] O[C@H]1CCCC[C@@H]1c1nc(no1)[*:1]
COC(=O)[C@H](C)[C@H]1Sc2ccccc2N(Cc2cc(C)ccc2C)C1=O COC(=O)[*:1] Cc1ccc(C)c(c1)CN1C(=O)[C@H](Sc2ccccc21)[C@@H](C)[*:1]
COC(=O)[C@H](C)[C@H]1Sc2ccccc2N(Cc2cc(C)ccc2C)C1=O Cc1ccc(C)c(c1)[*:1] COC(=O)[C@H](C)[C@H]1Sc2ccccc2N(C[*:1])C1=O
COc1ccc2c(CSc3ccc(F)cc3)cc(=O)oc2c1 Fc1ccc(cc1)[*:1] COc1ccc2c(cc(=O)oc2c1)CS[*:1]
CN(Cc1cnn(C)c1)C(=O)CN1CCN(C(=O)NC2CCCCC2)CC1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)CN1CCN(CC1)C(=O)NC1CCCCC1
CN(Cc1cnn(C)c1)C(=O)CN1CCN(C(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] CN(Cc1cnn(C)c1)C(=O)CN1CCN(CC1)C(=O)N[*:1]
CN(Cc1cnn(C)c1)C(=O)CN1CCN(C(=O)NC2CCCCC2)CC1 Cn1cc(cn1)C[*:1] CN(C(=O)CN1CCN(CC1)C(=O)NC1CCCCC1)[*:1]
C[C@H](Nc1ccc(Oc2cccc3cccnc23)cc1)C(=O)NC(=O)NC1CC1 O=C(NC(=O)[*:1])NC1CC1 C[C@H](Nc1ccc(cc1)Oc1cccc2cccnc12)[*:1]
C[C@H](Nc1ccc(Oc2cccc3cccnc23)cc1)C(=O)NC(=O)NC1CC1 C1CC1[*:1] C[C@H](Nc1ccc(cc1)Oc1cccc2cccnc12)C(=O)NC(=O)N[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@H](C)c3cccc(OC(C)C)c3)cc12 CC(C)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@H](C)c1cccc(c1)O[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@H](C)c3cccc(OC(C)C)c3)cc12 CC(C)O[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@H](C)c1cccc(c1)[*:1]
C[C@H](NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21)[*:1]
C[C@H](NC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21)c1ccncc1 C[C@H](c1ccncc1)[*:1] C[C@H]1Oc2ccccc2N(CC(=O)N[*:1])C1=O
CC(C)Oc1ccccc1NC(=O)CCn1c(=O)oc2ccccc21 CC(C)O[*:1] O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1[*:1]
CC(C)Oc1ccccc1NC(=O)CCn1c(=O)oc2ccccc21 CC(C)[*:1] O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1O[*:1]
C=CCNC(=O)[C@@]1(C#N)O[C@H]1c1ccccc1 C=CC[*:1] N#C[C@@]1(O[C@H]1c1ccccc1)C(=O)N[*:1]
COC(=O)c1c(NC(=O)c2ccn(COc3ccc(C)cc3C)n2)c(C)nn1C Cc1ccc(O[*:1])c(C)c1 COC(=O)c1c(NC(=O)c2ccn(C[*:1])n2)c(C)nn1C
COC(=O)c1c(NC(=O)c2ccn(COc3ccc(C)cc3C)n2)c(C)nn1C COC(=O)[*:1] Cc1ccc(OCn2ccc(n2)C(=O)Nc2c(C)nn(C)c2[*:1])c(C)c1
COC(=O)c1c(NC(=O)c2ccn(COc3ccc(C)cc3C)n2)c(C)nn1C Cc1ccc(c(C)c1)[*:1] COC(=O)c1c(NC(=O)c2ccn(CO[*:1])n2)c(C)nn1C
O=C(c1ccncc1)N1CCN(c2cncc(Br)c2)CC1 Brc1cncc(c1)[*:1] O=C(c1ccncc1)N1CCN(CC1)[*:1]
O=C(c1ccncc1)N1CCN(c2cncc(Br)c2)CC1 c1cc(ccn1)[*:1] O=C(N1CCN(CC1)c1cncc(Br)c1)[*:1]
CC(C)(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 CC(C)(C)CC(=O)N[*:1] O=C(c1cccs1)N1CCCc2ccc(cc21)[*:1]
CC(C)(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 CC(C)(C)[*:1] O=C(C[*:1])Nc1ccc2CCCN(C(=O)c3cccs3)c2c1
CC(C)(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 CC(C)(C)C[*:1] O=C(c1cccs1)N1CCCc2ccc(cc21)NC(=O)[*:1]
CC(C)(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 c1csc(c1)[*:1] CC(C)(C)CC(=O)Nc1ccc2CCCN(C(=O)[*:1])c2c1
C[C@H](C(=O)Nc1ccc2oc(=O)[nH]c2c1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)Nc1ccc2oc(=O)[nH]c2c1)[*:1]
Cc1cc(C)n(Cc2ccc(C(=O)NN)cn2)n1 NNC(=O)[*:1] Cc1cc(C)n(Cc2ccc(cn2)[*:1])n1
Cc1cscc1C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 Cc1cscc1[*:1] O=C([O-])[C@@H]1CN(C(=O)[*:1])c2ccccc2O1
Cc1cscc1C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 O=C([O-])[*:1] Cc1cscc1C(=O)N1C[C@@H](Oc2ccccc21)[*:1]
COc1ccc(-n2c(=S)[nH]c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 COc1ccc(cc1)[*:1] O=c1c2c([nH]c(=S)n1[*:1])-c1ccccc1CC21CCCCC1
COc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1nc2ccc(F)cc2[nH]1 COc1ccccc1[*:1] O=C(NCc1nc2ccc(F)cc2[nH]1)[C@H]1C[C@@H]1[*:1]
Cc1[nH]c[nH+]c1[C@@H]1C(c2ccccc2)=NCN1[C@H](CO)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1[nH]c[nH+]c1[C@@H]1C(=NCN1[C@H](CO)C[*:1])c1ccccc1
Cc1[nH]c[nH+]c1[C@@H]1C(c2ccccc2)=NCN1[C@H](CO)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Cc1[nH]c[nH+]c1[C@@H]1C(=NCN1[C@H](CO)[*:1])c1ccccc1
Cc1[nH]c[nH+]c1[C@@H]1C(c2ccccc2)=NCN1[C@H](CO)Cc1ccc(Cl)cc1 c1ccc(cc1)[*:1] Cc1[nH]c[nH+]c1[C@@H]1C(=NCN1[C@H](CO)Cc1ccc(Cl)cc1)[*:1]
Cc1ccc(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 O=[N+]([O-])[*:1] Cc1ccc(/C=N\NC(=O)c2ccc(Cn3cc(cn3)[*:1])o2)cc1
Cc1ccc(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 O=[N+]([O-])c1cnn(c1)[*:1] Cc1ccc(/C=N\NC(=O)c2ccc(C[*:1])o2)cc1
Cc1ccc(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 Cc1ccc(cc1)[*:1] O=C(NN=C[*:1])c1ccc(Cn2cc(cn2)[N+](=O)[O-])o1
CCc1ccc(N2C[C@@H](C(=O)NCCNC(=O)C3CC3)CC2=O)cc1 O=C(NC[*:1])C1CC1 CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NC[*:1]
CCc1ccc(N2C[C@@H](C(=O)NCCNC(=O)C3CC3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(NCCNC(=O)[C@H]1CC(=O)N(C1)[*:1])C1CC1
CCc1ccc(N2C[C@@H](C(=O)NCCNC(=O)C3CC3)CC2=O)cc1 O=C(NCC[*:1])C1CC1 CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
CCc1ccc(N2C[C@@H](C(=O)NCCNC(=O)C3CC3)CC2=O)cc1 C1CC1[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NCCNC(=O)[*:1]
CCc1ccc(N2C[C@@H](C(=O)NCCNC(=O)C3CC3)CC2=O)cc1 O=C(N[*:1])C1CC1 CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NCC[*:1]
CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(N[*:1])c1ccc2C(=O)N(CCCc3ccccc3)C(=O)c2c1
CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)c1 c1ccc(cc1)CC[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)c1 c1ccc(cc1)C[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1ccc2C(=O)N(CC[*:1])C(=O)c2c1
CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1ccc2C(=O)N(CCC[*:1])C(=O)c2c1
CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)c1 c1ccc(cc1)CCC[*:1] CC(=O)Nc1cccc(c1)NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc2C(=O)N(CCCc3ccccc3)C(=O)c2c1
COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)c2cn4ccsc4n2)C3)c1 c1cn2cc(nc2s1)[*:1] COc1cccc(c1)-c1cc2CN(CCOc2c(c1)OC)C(=O)[*:1]
COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)c2cn4ccsc4n2)C3)c1 COc1cccc(c1)[*:1] COc1cc(cc2CN(CCOc21)C(=O)c1cn2ccsc2n1)[*:1]
C[C@@H](OC(=O)c1cc(=O)c2cc(Cl)ccc2o1)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cc(=O)c2cc(Cl)ccc2o1)C(=O)N(C)[*:1]
Cc1ccccc1[C@@H](C)[NH2+]CCC(C)(C)O CC(C)(O)[*:1] Cc1ccccc1[C@@H](C)[NH2+]CC[*:1]
Cc1ccccc1[C@@H](C)[NH2+]CCC(C)(C)O CC(C)(O)C[*:1] Cc1ccccc1[C@@H](C)[NH2+]C[*:1]
CNc1ncc(CN(C)C(=O)c2cccc(-n3cnnc3)c2)cn1 CNc1ncc(cn1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)-n1cnnc1
CNc1ncc(CN(C)C(=O)c2cccc(-n3cnnc3)c2)cn1 c1nncn1[*:1] CNc1ncc(cn1)CN(C)C(=O)c1cccc(c1)[*:1]
CCCc1cc(NC(=O)N[C@@H]2C[C@H](OCC)C23CCCC3)n(C)n1 CCC[*:1] CCO[C@H]1C[C@@H](NC(=O)Nc2cc(nn2C)[*:1])C12CCCC2
CCCc1cc(NC(=O)N[C@@H]2C[C@H](OCC)C23CCCC3)n(C)n1 CCO[*:1] CCCc1cc(NC(=O)N[C@@H]2C[C@H](C23CCCC3)[*:1])n(C)n1
CC(C)(C)[C@@H]1CCC[C@@](O)([C@]2(C#N)CCOC2)CC1 CC(C)(C)[*:1] N#C[C@]1(CCOC1)[C@]1(O)CCC[C@H](CC1)[*:1]
Cn1cnnc1-c1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1 C1CC1[*:1] Cn1cnnc1-c1ccc(cc1)NC(=O)c1cc(n(n1)C(C)(C)C)[*:1]
Cn1cnnc1-c1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1 CC(C)(C)[*:1] Cn1cnnc1-c1ccc(cc1)NC(=O)c1cc(C2CC2)n(n1)[*:1]
Cn1cnnc1-c1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1 Cn1cnnc1[*:1] CC(C)(C)n1nc(cc1C1CC1)C(=O)Nc1ccc(cc1)[*:1]
O=C(Nc1ccn(-c2ncccc2Cl)n1)N(CC1CC1)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1ccn(n1)-c1ncccc1Cl)N(CC1CC1)[*:1]
O=C(Nc1ccn(-c2ncccc2Cl)n1)N(CC1CC1)C1CCCCC1 Clc1cccnc1[*:1] O=C(Nc1ccn(n1)[*:1])N(CC1CC1)C1CCCCC1
O=C(Nc1ccn(-c2ncccc2Cl)n1)N(CC1CC1)C1CCCCC1 C1CC1[*:1] O=C(Nc1ccn(n1)-c1ncccc1Cl)N(C[*:1])C1CCCCC1
O=C(Nc1ccn(-c2ncccc2Cl)n1)N(CC1CC1)C1CCCCC1 C1CC1C[*:1] O=C(Nc1ccn(n1)-c1ncccc1Cl)N(C1CCCCC1)[*:1]
CCCCN1C[C@@H](C(=O)N2CC[NH+](C)CC2)CC1=O CCC[*:1] C[NH+]1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CCCCN1C[C@@H](C(=O)N2CC[NH+](C)CC2)CC1=O CCCC[*:1] C[NH+]1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(NN1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NN1CCOCC1)c1ccc(c(c1)[*:1])N1CCCC1
O=C(NN1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] O=C(NN1CCOCC1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=C([O-])CN(Cc1nc(-c2ccco2)no1)CC(F)(F)F c1coc(c1)[*:1] O=C([O-])CN(Cc1nc(no1)[*:1])CC(F)(F)F
O=C([O-])CN(Cc1nc(-c2ccco2)no1)CC(F)(F)F FC(F)(F)[*:1] O=C([O-])CN(Cc1nc(no1)-c1ccco1)C[*:1]
O=C([O-])CN(Cc1nc(-c2ccco2)no1)CC(F)(F)F FC(F)(F)C[*:1] O=C([O-])CN(Cc1nc(no1)-c1ccco1)[*:1]
O=C([O-])CN(Cc1nc(-c2ccco2)no1)CC(F)(F)F O=C([O-])[*:1] FC(F)(F)CN(Cc1nc(no1)-c1ccco1)C[*:1]
O=C([O-])CN(Cc1nc(-c2ccco2)no1)CC(F)(F)F O=C([O-])C[*:1] FC(F)(F)CN(Cc1nc(no1)-c1ccco1)[*:1]
CSCCC(=O)NCc1sccc1C CSC[*:1] Cc1ccsc1CNC(=O)C[*:1]
CSCCC(=O)NCc1sccc1C CSCC[*:1] Cc1ccsc1CNC(=O)[*:1]
COc1ccc(-c2n[nH]c(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 COc1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CSc1nc(n[nH]1)[*:1]
COc1ccsc1C(=O)NCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O COc1ccsc1[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCCNC(=O)[*:1]
O=[N+]([O-])c1ccc2oc(CN3CCCc4c3cccc4[N+](=O)[O-])nc2c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc2oc(CN3CCCc4c3cccc4[*:1])nc2c1
O=[N+]([O-])c1ccc2oc(CN3CCCc4c3cccc4[N+](=O)[O-])nc2c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cccc2c1CCCN2Cc1nc2cc(ccc2o1)[*:1]
COc1cc(C)ccc1OCC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 COc1cc(C)ccc1[*:1] C[C@@H](NC(=O)CO[*:1])c1ccc(cc1)-n1cccn1
COc1cc(C)ccc1OCC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] COc1cc(C)ccc1OCC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CC(C)[NH+]1CCCN(C(=O)CCNC(=O)/C=C/c2ccco2)CC1 c1coc(c1)[*:1] CC(C)[NH+]1CCCN(CC1)C(=O)CCNC(=O)C=C[*:1]
CC(C)[NH+]1CCCN(C(=O)CCNC(=O)/C=C/c2ccco2)CC1 C(=C[*:1])c1ccco1 CC(C)[NH+]1CCCN(CC1)C(=O)CCNC(=O)[*:1]
CC(C)[NH+]1CCCN(C(=O)CCNC(=O)/C=C/c2ccco2)CC1 CC(C)[*:1] O=C(/C=C/c1ccco1)NCCC(=O)N1CCC[NH+](CC1)[*:1]
COc1ccc(-c2nc(Cl)ccc2[N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] COc1ccc(c(C)c1)-c1nc(Cl)ccc1[*:1]
N#Cc1ccccc1CNC1(c2nccs2)CCCC1 c1csc(n1)[*:1] N#Cc1ccccc1CNC1(CCCC1)[*:1]
Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2-n2cccc2)c1 Clc1ccccc1[*:1] Cc1cccc(c1)-c1nnc(SCC(=O)N[*:1])n1-n1cccc1
Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2-n2cccc2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nnc(n1-n1cccc1)[*:1])Nc1ccccc1Cl
C[C@@H](CCCCl)NS(=O)(=O)c1cc(Cl)ccc1Cl C[C@@H](CCCCl)[*:1] O=S(=O)(N[*:1])c1cc(Cl)ccc1Cl
C[C@@H](CCCCl)NS(=O)(=O)c1cc(Cl)ccc1Cl ClCC[*:1] C[C@@H](C[*:1])NS(=O)(=O)c1cc(Cl)ccc1Cl
C[C@@H](CCCCl)NS(=O)(=O)c1cc(Cl)ccc1Cl ClCCC[*:1] C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
CCCN1C[C@H](Nc2nc3c(s2)c(C)nn3C)CC1=O CCC[*:1] Cc1nn(C)c2nc(N[C@@H]3CC(=O)N(C3)[*:1])sc12
CCOC(=O)Nc1nc(CC(=O)NC2CCCCCC2)cs1 C1CCCC(CC1)[*:1] CCOC(=O)Nc1nc(cs1)CC(=O)N[*:1]
CCOC(=O)Nc1nc(CC(=O)NC2CCCCCC2)cs1 CCOC(=O)N[*:1] O=C(Cc1csc(n1)[*:1])NC1CCCCCC1
COc1cccc2c1OCC/C2=N\NC(=O)COc1ccccc1C Cc1ccccc1[*:1] COc1cccc2/C(CCOc12)=N/NC(=O)CO[*:1]
COc1cccc2c1OCC/C2=N\NC(=O)COc1ccccc1C Cc1ccccc1O[*:1] COc1cccc2/C(CCOc12)=N/NC(=O)C[*:1]
CCc1n[n-]c(S(=O)(=O)Cc2csc(-c3ccsc3)n2)n1 c1cc(cs1)[*:1] CCc1n[n-]c(n1)S(=O)(=O)Cc1csc(n1)[*:1]
CC(=O)n1cc([C@@H](C[NH3+])S(=O)(=O)[O-])c2ccccc21 O=S(=O)([O-])[*:1] CC(=O)n1cc(c2ccccc21)[C@@H](C[NH3+])[*:1]
CCOc1ccccc1[C@H](NC)[C@@H]1CN2CC[NH+]1CC2 CCO[*:1] CN[C@@H](c1ccccc1[*:1])[C@@H]1CN2CC[NH+]1CC2
COc1cccc2c1CC[C@H]2NC(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] COc1cccc2c1CC[C@H]2NC(=O)NCc1ccnc(c1)O[*:1]
COc1cccc2c1CC[C@H]2NC(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] COc1cccc2c1CC[C@H]2NC(=O)NCc1ccnc(c1)[*:1]
Cc1cc(=O)oc2c3c(ccc12)O/C(=C/c1ccccc1)C3=O c1ccc(cc1)[*:1] Cc1cc(=O)oc2c3C(=O)C(=C[*:1])Oc3ccc12
O=C(Nc1ncccc1OCC1CCCCC1)c1cscn1 C1CCC(CC1)[*:1] O=C(Nc1ncccc1OC[*:1])c1cscn1
O=C(Nc1ncccc1OCC1CCCCC1)c1cscn1 c1nc(cs1)[*:1] O=C(Nc1ncccc1OCC1CCCCC1)[*:1]
O=C(Nc1ncccc1OCC1CCCCC1)c1cscn1 C1CCC(CC1)C[*:1] O=C(Nc1ncccc1O[*:1])c1cscn1
CC(=O)Nc1ccc(Nc2c3c4c(cccc4n(C)c2=O)C(=O)c2ccccc2-3)cc1 CC(=O)N[*:1] Cn1c(=O)c(Nc2ccc(cc2)[*:1])c2-c3ccccc3C(=O)c3cccc1c32
CC(=O)Nc1ccc(Nc2c3c4c(cccc4n(C)c2=O)C(=O)c2ccccc2-3)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cn1c(=O)c(N[*:1])c2-c3ccccc3C(=O)c3cccc1c32
Cc1ccccc1-c1noc(C2CCN(S(=O)(=O)c3cccs3)CC2)n1 Cc1ccccc1[*:1] O=S(=O)(c1cccs1)N1CCC(CC1)c1nc(no1)[*:1]
Cc1ccccc1-c1noc(C2CCN(S(=O)(=O)c3cccs3)CC2)n1 c1csc(c1)[*:1] Cc1ccccc1-c1noc(n1)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)n1nccc1NC(=O)NCCc1c[nH]c2ccccc12 CC(C)[*:1] O=C(NCCc1c[nH]c2ccccc12)Nc1ccnn1[*:1]
CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 Clc1ccc(cc1)[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)C(=O)Cc1coc(n1)[*:1]
CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1C[C@@H]1C)c1ccc2c(c1)CC(=O)N2C c1ccc(cc1)[*:1] CC[C@H]([NH2+][C@@H]([C@@H]1C[C@@H]1C)[*:1])c1ccc2c(c1)CC(=O)N2C
O=C(NCc1ccc(Cl)cc1)[C@H]1C=C(c2ccc(Cl)cc2)N=N1 Clc1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)cc1)[C@H]1C=C(N=N1)[*:1]
O=C(NCc1ccc(Cl)cc1)[C@H]1C=C(c2ccc(Cl)cc2)N=N1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1C=C(N=N1)c1ccc(Cl)cc1
CNC(=O)c1cccc(CO/N=C(/N)Cc2ccc(Cl)cc2)c1 CNC(=O)[*:1] N/C(Cc1ccc(Cl)cc1)=N/OCc1cccc(c1)[*:1]
CNC(=O)c1cccc(CO/N=C(/N)Cc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)CO/N=C(/N)C[*:1]
CC(C)[C@@H](CNC(=O)Nc1cccc(N2CCCC2=O)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@@H](CNC(=O)Nc1cccc(c1)N1CCCC1=O)[*:1]
CC(C)[C@@H](CNC(=O)Nc1cccc(N2CCCC2=O)c1)N1CCOCC1 O=C1CCCN1[*:1] CC(C)[C@@H](CNC(=O)Nc1cccc(c1)[*:1])N1CCOCC1
CC(C)[C@@H](CNC(=O)Nc1cccc(N2CCCC2=O)c1)N1CCOCC1 CC(C)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])Nc1cccc(c1)N1CCCC1=O
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCN(C)C(=O)C3)[C@H]4C2=O)c1 CN1CCN(CC1=O)C(=O)[*:1] COc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@@H]([C@H]3C1=O)[*:1]
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCN(C)C(=O)C3)[C@H]4C2=O)c1 COc1cccc(c1)[*:1] CN1CCN(CC1=O)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@H]13)O2
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCN(C)C(=O)C3)[C@H]4C2=O)c1 COc1cccc(c1)C[*:1] CN1CCN(CC1=O)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2
CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C CCc1ccccc1[*:1] Cn1c(nnc1-c1ccc(F)cc1)SCC(=O)N[*:1]
CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C Fc1ccc(cc1)[*:1] CCc1ccccc1NC(=O)CSc1nnc(n1C)[*:1]
CCN1C[C@H](C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)CC1=O Fc1ccc(cc1)[*:1] CCN1C[C@@H](CC1=O)C(=O)Nc1nc(C)c(C[*:1])s1
CCN1C[C@H](C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)CC1=O Fc1ccc(cc1)C[*:1] CCN1C[C@@H](CC1=O)C(=O)Nc1nc(C)c(s1)[*:1]
N#CCSCCC[NH+]1CCC(NC(=O)c2ccsc2)CC1 N#CCSCC[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1ccsc1
N#CCSCCC[NH+]1CCC(NC(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] N#CCSCCC[NH+]1CCC(CC1)NC(=O)[*:1]
N#CCSCCC[NH+]1CCC(NC(=O)c2ccsc2)CC1 N#CCS[*:1] O=C(NC1CC[NH+](CCC[*:1])CC1)c1ccsc1
N#CCSCCC[NH+]1CCC(NC(=O)c2ccsc2)CC1 N#CCSC[*:1] O=C(NC1CC[NH+](CC1)CC[*:1])c1ccsc1
N#CCSCCC[NH+]1CCC(NC(=O)c2ccsc2)CC1 N#CC[*:1] O=C(NC1CC[NH+](CCCS[*:1])CC1)c1ccsc1
O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)CCCn2cncn2)C1 c1ncn(n1)[*:1] O=C(c1ccc2CCc3cccc1c32)[C@H]1CCCN(C1)C(=O)CCC[*:1]
O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)CCCn2cncn2)C1 c1ncn(CCC[*:1])n1 O=C(c1ccc2CCc3cccc1c32)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)CCCn2cncn2)C1 c1ncn(C[*:1])n1 O=C(c1ccc2CCc3cccc1c32)[C@H]1CCCN(C1)C(=O)CC[*:1]
O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)CCCn2cncn2)C1 c1ncn(CC[*:1])n1 O=C(c1ccc2CCc3cccc1c32)[C@H]1CCCN(C1)C(=O)C[*:1]
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1C c1ccc(cc1)[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2C[*:1]
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1C COc1ccc(cc1C)[*:1] O=C1CCc2cc(ccc2N1Cc1ccccc1)NS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1C c1ccc(cc1)C[*:1] COc1ccc(cc1C)S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)N[*:1]
C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1cccc(C#N)c1 CC(C)(C)[*:1] C[C@H](CNC(=O)O[*:1])N(C)C(=O)Nc1cccc(C#N)c1
C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1cccc(C#N)c1 CC(C)(C)OC(=O)N[*:1] C[C@H](C[*:1])N(C)C(=O)Nc1cccc(C#N)c1
CN(C)[C@H](C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)c1c(F)cccc1Cl Clc1ccccc1[*:1] CN(C)[C@H](C(=O)N[C@H]1CCN(C1=O)[*:1])c1c(F)cccc1Cl
CN(C)[C@H](C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] CN(C)[C@H](C(=O)N[C@H]1CCN(C1=O)c1ccccc1Cl)[*:1]
CN(C)[C@H](C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)c1c(F)cccc1Cl CN(C)[*:1] O=C(N[C@H]1CCN(C1=O)c1ccccc1Cl)[C@H](c1c(F)cccc1Cl)[*:1]
CCC[NH2+][C@@H](Cc1ccccn1)C(C)(C)[NH+]1CCCCC1 CCC[*:1] CC(C)([C@H](Cc1ccccn1)[NH2+][*:1])[NH+]1CCCCC1
CCC[NH2+][C@@H](Cc1ccccn1)C(C)(C)[NH+]1CCCCC1 c1ccc(C[*:1])nc1 CCC[NH2+][C@@H](C(C)(C)[NH+]1CCCCC1)[*:1]
CCC[NH2+][C@@H](Cc1ccccn1)C(C)(C)[NH+]1CCCCC1 c1ccc(nc1)[*:1] CCC[NH2+][C@@H](C[*:1])C(C)(C)[NH+]1CCCCC1
CCCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1 CCC[*:1] COc1cc(Cl)c(C)cc1NC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
CCCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1 CCCNS(=O)(=O)[*:1] COc1cc(Cl)c(C)cc1NC(=O)c1cccc(c1)[*:1]
COc1ccc(NC(=O)N2CCN(Cc3ccncc3)CC2)cc1Br c1cc(ccn1)C[*:1] COc1ccc(cc1Br)NC(=O)N1CCN(CC1)[*:1]
COc1ccc(NC(=O)N2CCN(Cc3ccncc3)CC2)cc1Br c1cc(ccn1)[*:1] COc1ccc(cc1Br)NC(=O)N1CCN(CC1)C[*:1]
CCC1(CNC(=O)N[C@H](CCO)c2cccs2)CC1 c1csc(c1)[*:1] CCC1(CC1)CNC(=O)N[C@H](CCO)[*:1]
CCC1(CNC(=O)N[C@H](CCO)c2cccs2)CC1 OCC[*:1] CCC1(CC1)CNC(=O)N[C@H](c1cccs1)[*:1]
CCC1(CNC(=O)N[C@H](CCO)c2cccs2)CC1 CCC1(CC1)C[*:1] O=C(N[C@H](CCO)c1cccs1)N[*:1]
CCC1(CNC(=O)N[C@H](CCO)c2cccs2)CC1 CCC1(CC1)[*:1] O=C(NC[*:1])N[C@H](CCO)c1cccs1
C[C@H](CO)CSCc1cccc(O)c1 C[C@H](CO)[*:1] Oc1cccc(c1)CSC[*:1]
O=C(Nc1ccc(F)c(F)c1)C1(c2cc(-c3cccs3)on2)CC1 Fc1ccc(cc1F)[*:1] O=C(N[*:1])C1(CC1)c1cc(on1)-c1cccs1
O=C(Nc1ccc(F)c(F)c1)C1(c2cc(-c3cccs3)on2)CC1 c1csc(c1)[*:1] O=C(Nc1ccc(F)c(F)c1)C1(CC1)c1cc(on1)[*:1]
COc1ccc(/C(C#N)=C/c2ccncc2)cc1OC c1cc(ccn1)[*:1] COc1ccc(cc1OC)C(C#N)=C[*:1]
C[C@@H](Sc1ccccc1)C(=O)OCc1cccc(C(N)=O)c1 c1ccc(cc1)S[*:1] C[C@@H](C(=O)OCc1cccc(c1)C(N)=O)[*:1]
C[C@@H](Sc1ccccc1)C(=O)OCc1cccc(C(N)=O)c1 NC(=O)[*:1] C[C@@H](Sc1ccccc1)C(=O)OCc1cccc(c1)[*:1]
C[C@@H](Sc1ccccc1)C(=O)OCc1cccc(C(N)=O)c1 c1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)OCc1cccc(c1)C(N)=O
C[NH2+][C@H]1[C@H]([S@@](=O)c2ccc(S(C)(=O)=O)cc2)CCC1(C)C CS(=O)(=O)[*:1] C[NH2+][C@H]1[C@@H](CCC1(C)C)[S@@](=O)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(NC(=O)C[C@H]2Sc3nc(-c4ccccc4)nn3C2=O)cc1 c1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)C[C@H]1Sc2nc(nn2C1=O)[*:1]
CCOC(=O)c1ccc(NC(=O)C[C@H]2Sc3nc(-c4ccccc4)nn3C2=O)cc1 CCOC(=O)[*:1] O=C(C[C@H]1Sc2nc(nn2C1=O)-c1ccccc1)Nc1ccc(cc1)[*:1]
Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc(F)cc3F)ccc1O2 Fc1ccc(c(F)c1)[*:1] Cc1ccc2Oc3ccc(cc3C(=O)N(C)c2c1)NS(=O)(=O)[*:1]
COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCC(C)C)CC2 CC(C)C[*:1] COCc1nc2CC[C@H](Cn2n1)[NH2+][C@@H]1CCC[C@@H]1C[*:1]
COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCC(C)C)CC2 COC[*:1] CC(C)CC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCc2nc(nn2C1)[*:1]
COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCC(C)C)CC2 CC(C)CC[*:1] COCc1nc2CC[C@H](Cn2n1)[NH2+][C@@H]1CCC[C@H]1[*:1]
COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCC(C)C)CC2 CC(C)[*:1] COCc1nc2CC[C@H](Cn2n1)[NH2+][C@@H]1CCC[C@@H]1CC[*:1]
O=C(NC1CCCC1)c1ccc(NC(=O)c2c(-c3ccccc3)nn3ncccc23)cc1 c1ccc(cc1)[*:1] O=C(NC1CCCC1)c1ccc(cc1)NC(=O)c1c(nn2ncccc12)[*:1]
O=C(NC1CCCC1)c1ccc(NC(=O)c2c(-c3ccccc3)nn3ncccc23)cc1 O=C(NC1CCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1c(nn2ncccc12)-c1ccccc1
O=C(NC1CCCC1)c1ccc(NC(=O)c2c(-c3ccccc3)nn3ncccc23)cc1 C1CCC(C1)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1c(nn2ncccc12)-c1ccccc1
C#CCNC(=O)Cn1ccnc1C#N C#CC[*:1] N#Cc1nccn1CC(=O)N[*:1]
COCc1cccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 COC[*:1] O=C(Nc1cccc(c1)[*:1])N1CCN(CC1)C(=O)c1ccco1
COCc1cccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 c1coc(c1)[*:1] COCc1cccc(c1)NC(=O)N1CCN(CC1)C(=O)[*:1]
O=C(CSc1nnc(C2CC2)n1C1CC1)NC(=O)Nc1ccc2c(c1)OCCO2 C1CC1[*:1] O=C(CSc1nnc(n1C1CC1)[*:1])NC(=O)Nc1ccc2OCCOc2c1
O=C(CSc1nnc(C2CC2)n1C1CC1)NC(=O)Nc1ccc2c(c1)OCCO2 C1CC1[*:1] O=C(CSc1nnc(C2CC2)n1[*:1])NC(=O)Nc1ccc2OCCOc2c1
CC(C)(CNC(=O)Cn1ccc(=O)c2ccccc21)c1cccs1 CC(C)(c1cccs1)[*:1] O=C(Cn1ccc(=O)c2ccccc21)NC[*:1]
CC(C)(CNC(=O)Cn1ccc(=O)c2ccccc21)c1cccs1 c1csc(c1)[*:1] CC(C)(CNC(=O)Cn1ccc(=O)c2ccccc21)[*:1]
Cc1csc([C@@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C2CC2)n1 Cc1csc(n1)[*:1] C[C@@]1(CCS(=O)(=O)C1)NNC(=O)N[C@@H](C1CC1)[*:1]
Cc1csc([C@@H](NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)[*:1]
CCCCC(=O)[C@@](C)(CC)N1CCOCC1 CCCC[*:1] CC[C@](C)(C(=O)[*:1])N1CCOCC1
CCCCC(=O)[C@@](C)(CC)N1CCOCC1 CCC[*:1] CC[C@](C)(C(=O)C[*:1])N1CCOCC1
Cc1ccc([N+](=O)[O-])cc1OC(=O)C1(c2ccc(F)cc2)CCOCC1 O=[N+]([O-])[*:1] Cc1ccc(cc1OC(=O)C1(CCOCC1)c1ccc(F)cc1)[*:1]
Cc1ccc([N+](=O)[O-])cc1OC(=O)C1(c2ccc(F)cc2)CCOCC1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1OC(=O)C1(CCOCC1)[*:1])[N+](=O)[O-]
CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N1CC[C@H](C1)C[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 Cn1cc(cn1)C[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N1CC[C@@H](C1)[*:1]
COc1cc(C(=O)N2CCc3cc(C)ccc32)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])C(=O)N1CCc2cc(C)ccc21
CSc1ccc(-c2ncc(C(=O)[O-])c(=O)[nH]2)cc1 O=C([O-])[*:1] CSc1ccc(cc1)-c1ncc(c(=O)[nH]1)[*:1]
CC[C@@H](C)NC(=O)c1cccc(CNc2cc(-c3nc(C)no3)ccn2)c1 Cc1noc(n1)[*:1] CC[C@@H](C)NC(=O)c1cccc(c1)CNc1cc(ccn1)[*:1]
CC[C@@H](C)NC(=O)c1cccc(CNc2cc(-c3nc(C)no3)ccn2)c1 CC[C@@H](C)[*:1] Cc1noc(n1)-c1ccnc(c1)NCc1cccc(c1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1cccc(CNc2cc(-c3nc(C)no3)ccn2)c1 CC[C@@H](C)NC(=O)[*:1] Cc1noc(n1)-c1ccnc(c1)NCc1cccc(c1)[*:1]
C[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OCCO2 O=[N+]([O-])[*:1] C[C@@H](CS(=O)(=O)c1ccc(cc1)[*:1])N1CCC2(CC1)OCCO2
COc1cc(OC)c(NC(=O)Cc2cc(-c3ccccc3)on2)cc1F c1ccc(cc1)[*:1] COc1cc(OC)c(cc1F)NC(=O)Cc1cc(on1)[*:1]
CC(C)n1ncnc1C[C@H](C(=O)[O-])c1ccccc1F O=C([O-])[*:1] CC(C)n1ncnc1C[C@H](c1ccccc1F)[*:1]
CC(C)n1ncnc1C[C@H](C(=O)[O-])c1ccccc1F CC(C)[*:1] O=C([O-])[C@@H](Cc1ncnn1[*:1])c1ccccc1F
CNC(=O)c1cccc(C[NH+]2CCC(N(C)C(C)=O)CC2)c1 CNC(=O)[*:1] CC(=O)N(C)C1CC[NH+](CC1)Cc1cccc(c1)[*:1]
CNC(=O)c1cccc(C[NH+]2CCC(N(C)C(C)=O)CC2)c1 CC(=O)N(C)[*:1] CNC(=O)c1cccc(c1)C[NH+]1CCC(CC1)[*:1]
CCc1ccc(-n2c(CN3CCN(S(=O)(=O)c4cccc(C)c4)CC3)[nH+]c3cccnc32)cc1 Cc1cccc(c1)[*:1] CCc1ccc(cc1)-n1c(CN2CCN(CC2)S(=O)(=O)[*:1])[nH+]c2cccnc21
CCc1ccc(-n2c(CN3CCN(S(=O)(=O)c4cccc(C)c4)CC3)[nH+]c3cccnc32)cc1 CCc1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)N1CCN(CC1)Cc1[nH+]c2cccnc2n1[*:1]
CN(C)C(C)(C)[C@@H]([NH3+])Cc1cnn(C)c1 CN(C)[*:1] Cn1cc(cn1)C[C@H]([NH3+])C(C)(C)[*:1]
O=C(CN1CCCCC1=O)NNC(=O)c1cc2c(s1)CCC2 O=C1CCCCN1[*:1] O=C(C[*:1])NNC(=O)c1cc2CCCc2s1
CO[C@@H]1CCC[C@@H]1n1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])C[*:1] CO[C@@H]1CCC[C@@H]1n1c(nc2cnccc21)S[*:1]
CO[C@@H]1CCC[C@@H]1n1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])CS[*:1] CO[C@@H]1CCC[C@@H]1n1c(nc2cnccc21)[*:1]
CO[C@@H]1CCC[C@@H]1n1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])[*:1] CO[C@@H]1CCC[C@@H]1n1c(nc2cnccc21)SC[*:1]
CO[C@@H]1CCC[C@@H]1n1c(SCC(=O)[O-])nc2cnccc21 CO[C@@H]1CCC[C@H]1[*:1] O=C([O-])CSc1nc2cnccc2n1[*:1]
O=C(Nc1ccccc1NC(=O)c1cccc[n+]1[O-])c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1NC(=O)[*:1])c1cccc[n+]1[O-]
O=C(Nc1ccccc1NC(=O)c1cccc[n+]1[O-])c1ccc(Cl)cc1 [O-][n+]1ccccc1[*:1] O=C(Nc1ccccc1NC(=O)[*:1])c1ccc(Cl)cc1
O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)N[*:1])c1ccc(F)cc1
O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)N1CCC(CC1)CNC(=O)[*:1]
C[C@@H](O)CCC(=O)NC[C@H](C)CCO OCC[*:1] C[C@@H](O)CCC(=O)NC[C@H](C)[*:1]
C[C@@H](O)CCC(=O)NC[C@H](C)CCO C[C@@H](O)C[*:1] C[C@H](CCO)CNC(=O)C[*:1]
C[C@@H](O)CCC(=O)NC[C@H](C)CCO C[C@@H](O)[*:1] C[C@H](CCO)CNC(=O)CC[*:1]
COc1ccc(-c2cc3cccnc3n2CC(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)-c1cc2cccnc2n1C[*:1]
COc1ccc(-c2cc3cccnc3n2CC(=O)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(Cn1c(cc2cccnc21)[*:1])N1CCOCC1
COc1ccc(-c2csc(NC(=O)C(C)(C)C)n2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C(N)=O)cc2)cc1 NC(=O)c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1[*:1])S(=O)(=O)c1ccccc1
CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C(N)=O)cc2)cc1 NC(=O)[*:1] CCOc1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1c1ccc(cc1)[*:1])S(=O)(=O)c1ccccc1
CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C(N)=O)cc2)cc1 O=S(=O)(c1ccccc1)[*:1] CCOc1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1c1ccc(cc1)C(N)=O)[*:1]
CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C(N)=O)cc2)cc1 CCO[*:1] NC(=O)c1ccc(cc1)N1C(=O)C([O-])=C([C@@H]1c1ccc(cc1)[*:1])S(=O)(=O)c1ccccc1
CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C(N)=O)cc2)cc1 CCOc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)N1C(=O)C([O-])=C([C@@H]1[*:1])S(=O)(=O)c1ccccc1
CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C(N)=O)cc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1c1ccc(cc1)C(N)=O)S(=O)(=O)[*:1]
Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)CN2CCCCCC2=O)cc1C O=C1CCCCCN1[*:1] Cc1cc(C)c(cc1C)C(=O)[C@@H](C)OC(=O)C[*:1]
C[C@H]([NH2+][C@H]1CCCS[C@@H]1C)c1ccccc1OC(F)F FC(F)[*:1] C[C@H]([NH2+][C@H]1CCCS[C@@H]1C)c1ccccc1O[*:1]
C[C@H]([NH2+][C@H]1CCCS[C@@H]1C)c1ccccc1OC(F)F FC(F)O[*:1] C[C@H]([NH2+][C@H]1CCCS[C@@H]1C)c1ccccc1[*:1]
C[C@H]1CC[C@@H](C(N)=O)CN1c1cc([C@@H](C)N)cc[nH+]1 NC(=O)[*:1] C[C@H]1CC[C@@H](CN1c1cc(cc[nH+]1)[C@@H](C)N)[*:1]
C[C@H]1CC[C@@H](C(N)=O)CN1c1cc([C@@H](C)N)cc[nH+]1 C[C@@H](N)[*:1] C[C@H]1CC[C@H](CN1c1cc(cc[nH+]1)[*:1])C(N)=O
CCOc1ccccc1C[NH2+]CCn1c(C)nc2ccccc21 CCO[*:1] Cc1nc2ccccc2n1CC[NH2+]Cc1ccccc1[*:1]
Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 FC(F)(F)[*:1] Cc1cccc(c1)OCC(=O)N1CC[NH+](CC1)Cc1ccccc1[*:1]
Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 Cc1cccc(c1)OC[*:1] O=C(N1CC[NH+](CC1)Cc1ccccc1C(F)(F)F)[*:1]
Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])N1CC[NH+](CC1)Cc1ccccc1C(F)(F)F
Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])N1CC[NH+](CC1)Cc1ccccc1C(F)(F)F
Cc1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)cc1F Fc1cccc(F)c1[*:1] Cc1ccc(cc1F)C(=O)N[C@@H]1CCN(C1=O)[*:1]
Cc1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)cc1F Cc1ccc(cc1F)[*:1] O=C1[C@@H](CCN1c1c(F)cccc1F)NC(=O)[*:1]
CC(C)[NH+](CCNC(=O)Nc1ccncc1)C1CC1 c1cc(ccn1)[*:1] CC(C)[NH+](CCNC(=O)N[*:1])C1CC1
CC(C)[NH+](CCNC(=O)Nc1ccncc1)C1CC1 CC(C)[*:1] O=C(NCC[NH+](C1CC1)[*:1])Nc1ccncc1
CC(C)[NH+](CCNC(=O)Nc1ccncc1)C1CC1 C1CC1[*:1] CC(C)[NH+](CCNC(=O)Nc1ccncc1)[*:1]
CC(C)(C)c1nnc(CNc2ccc(F)cc2OCC2CC2)o1 CC(C)(C)[*:1] Fc1ccc(NCc2nnc(o2)[*:1])c(c1)OCC1CC1
CC(C)(C)c1nnc(CNc2ccc(F)cc2OCC2CC2)o1 C1CC1[*:1] CC(C)(C)c1nnc(CNc2ccc(F)cc2OC[*:1])o1
CC(C)(C)c1nnc(CNc2ccc(F)cc2OCC2CC2)o1 C1CC1CO[*:1] CC(C)(C)c1nnc(CNc2ccc(F)cc2[*:1])o1
CC(C)(C)c1nnc(CNc2ccc(F)cc2OCC2CC2)o1 C1CC1C[*:1] CC(C)(C)c1nnc(CNc2ccc(F)cc2O[*:1])o1
Cc1nc(CNC(=O)c2cccc(CCC(C)(C)O)c2)no1 CC(C)(O)[*:1] Cc1nc(CNC(=O)c2cccc(c2)CC[*:1])no1
Cc1nc(CNC(=O)c2cccc(CCC(C)(C)O)c2)no1 Cc1nc(no1)[*:1] CC(C)(O)CCc1cccc(c1)C(=O)NC[*:1]
Cc1nc(CNC(=O)c2cccc(CCC(C)(C)O)c2)no1 Cc1nc(C[*:1])no1 CC(C)(O)CCc1cccc(c1)C(=O)N[*:1]
Cc1nc(CNC(=O)c2cccc(CCC(C)(C)O)c2)no1 CC(C)(O)CC[*:1] Cc1nc(CNC(=O)c2cccc(c2)[*:1])no1
Cc1nc(CNC(=O)c2cccc(CCC(C)(C)O)c2)no1 CC(C)(O)C[*:1] Cc1nc(CNC(=O)c2cccc(c2)C[*:1])no1
CCCN1C(=O)[C@]2(C(C(=O)OCC)=C(N)OC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c2ccccc21 CCOC(=O)[*:1] CCCN1C(=O)[C@@]2(C3C(=O)C[C@H](CC=3OC(N)=C2[*:1])c2ccc(F)cc2)c2ccccc21
CCCN1C(=O)[C@]2(C(C(=O)OCC)=C(N)OC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c2ccccc21 Fc1ccc(cc1)[*:1] CCCN1C(=O)[C@]2(C(C(=O)OCC)=C(N)OC3C[C@H](CC(=O)C=32)[*:1])c2ccccc21
CCCN1C(=O)[C@]2(C(C(=O)OCC)=C(N)OC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c2ccccc21 CCC[*:1] CCOC(=O)C1=C(N)OC2C[C@@H](CC(=O)C=2[C@@]12C(=O)N(c1ccccc12)[*:1])c1ccc(F)cc1
CC1CCN(c2cc3c(cc2NC(=O)c2ccc(C(C)(C)C)cc2)n(C)c(=O)c(=O)n3C)CC1 CC(C)(C)[*:1] CC1CCN(CC1)c1cc2c(cc1NC(=O)c1ccc(cc1)[*:1])n(C)c(=O)c(=O)n2C
CC1CCN(c2cc3c(cc2NC(=O)c2ccc(C(C)(C)C)cc2)n(C)c(=O)c(=O)n3C)CC1 CC1CCN(CC1)[*:1] Cn1c(=O)c(=O)n(C)c2cc(c(cc21)NC(=O)c1ccc(cc1)C(C)(C)C)[*:1]
CC1CCN(c2cc3c(cc2NC(=O)c2ccc(C(C)(C)C)cc2)n(C)c(=O)c(=O)n3C)CC1 CC(C)(C)c1ccc(cc1)[*:1] CC1CCN(CC1)c1cc2c(cc1NC(=O)[*:1])n(C)c(=O)c(=O)n2C
C[C@H]1CCC[C@H](C(C)(C)C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CCC[C@@H](C1)C(C)(C)[*:1]
Cc1n[nH]c(-c2ccc(C(=O)N(C(C)C)C3CCC3)cc2)n1 C1CC(C1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)N(C(C)C)[*:1]
Cc1n[nH]c(-c2ccc(C(=O)N(C(C)C)C3CCC3)cc2)n1 CC(C)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)N(C1CCC1)[*:1]
Cc1n[nH]c(-c2ccc(C(=O)N(C(C)C)C3CCC3)cc2)n1 Cc1n[nH]c(n1)[*:1] CC(C)N(C(=O)c1ccc(cc1)[*:1])C1CCC1
CCC[C@@H](C[NH3+])[C@@H](O)C(F)(F)F FC(F)(F)[*:1] CCC[C@@H](C[NH3+])[C@@H](O)[*:1]
CCC[C@@H](C[NH3+])[C@@H](O)C(F)(F)F CCC[*:1] [NH3+]C[C@@H]([C@@H](O)C(F)(F)F)[*:1]
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2)c(C)o1 CC(C)O[*:1] CNS(=O)(=O)c1cc(C(=O)Nc2ccc(cc2)[*:1])c(C)o1
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2)c(C)o1 CC(C)[*:1] CNS(=O)(=O)c1cc(C(=O)Nc2ccc(cc2)O[*:1])c(C)o1
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)Nc1ccc(cc1)OC(C)C)[*:1]
O=C(N[C@H](c1ccccc1)c1ccco1)N1CCC[C@H](CCO)C1 OCC[*:1] O=C(N[C@H](c1ccccc1)c1ccco1)N1CCC[C@H](C1)[*:1]
O=C(N[C@H](c1ccccc1)c1ccco1)N1CCC[C@H](CCO)C1 c1coc(c1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])N1CCC[C@H](CCO)C1
O=C(N[C@H](c1ccccc1)c1ccco1)N1CCC[C@H](CCO)C1 c1ccc(cc1)[*:1] O=C(N[C@H](c1ccco1)[*:1])N1CCC[C@H](CCO)C1
C[C@H](Nc1ccc(CN2CCCC2=O)cc1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](Nc1ccc(cc1)CN1CCCC1=O)C(=O)N(C)[*:1]
C[C@H](Nc1ccc(CN2CCCC2=O)cc1)C(=O)N(C)Cc1ccccc1 O=C1CCCN1[*:1] C[C@H](Nc1ccc(cc1)C[*:1])C(=O)N(C)Cc1ccccc1
C[C@H](Nc1ccc(CN2CCCC2=O)cc1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ccc(cc1)CN1CCCC1=O)C(=O)N(C)C[*:1]
C[C@H](Nc1ccc(CN2CCCC2=O)cc1)C(=O)N(C)Cc1ccccc1 O=C1CCCN1C[*:1] C[C@H](Nc1ccc(cc1)[*:1])C(=O)N(C)Cc1ccccc1
O=C(NNC(=S)Nc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 c1ccc(cc1)[*:1] O=C(NNC(=S)N[*:1])c1cccc(c1)S(=O)(=O)N1CCOCC1
O=C(NNC(=S)Nc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(NNC(=S)Nc1ccccc1)c1cccc(c1)[*:1]
O=C([O-])C[NH2+]C[C@@H]1CCCO1 O=C([O-])[*:1] C1CO[C@@H](C1)C[NH2+]C[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C)n1 Cc1csc(n1)[*:1] CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C)n1 CC(C)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)C[*:1]
Cc1csc([C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C)n1 CC(C)C[*:1] Cc1csc(n1)[C@@H](C)NC(=O)N[C@H](C[NH+](C)C)[*:1]
COc1cccc(Oc2ccc(-c3ccc(C(=O)NC(C)C)cc3)nn2)c1 COc1cccc(c1)O[*:1] CC(C)NC(=O)c1ccc(cc1)-c1ccc(nn1)[*:1]
COc1cccc(Oc2ccc(-c3ccc(C(=O)NC(C)C)cc3)nn2)c1 CC(C)[*:1] COc1cccc(c1)Oc1ccc(nn1)-c1ccc(cc1)C(=O)N[*:1]
COc1cccc(Oc2ccc(-c3ccc(C(=O)NC(C)C)cc3)nn2)c1 CC(C)NC(=O)[*:1] COc1cccc(c1)Oc1ccc(nn1)-c1ccc(cc1)[*:1]
COc1cccc(Oc2ccc(-c3ccc(C(=O)NC(C)C)cc3)nn2)c1 COc1cccc(c1)[*:1] CC(C)NC(=O)c1ccc(cc1)-c1ccc(nn1)O[*:1]
COc1cccc(-c2cc(C(=O)[O-])cs2)c1 O=C([O-])[*:1] COc1cccc(c1)-c1cc(cs1)[*:1]
Cc1cccc(CN2C(=O)[C@@]3(c4ccccc42)c2c(oc4ccccc4c2=O)C(=O)N3CCCO)c1 Cc1cccc(c1)[*:1] O=C1c2oc3ccccc3c(=O)c2[C@]2(C(=O)N(C[*:1])c3ccccc32)N1CCCO
Cc1cccc(CN2C(=O)[C@@]3(c4ccccc42)c2c(oc4ccccc4c2=O)C(=O)N3CCCO)c1 OCCC[*:1] Cc1cccc(c1)CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2[*:1]
Cc1cccc(CN2C(=O)[C@@]3(c4ccccc42)c2c(oc4ccccc4c2=O)C(=O)N3CCCO)c1 Cc1cccc(c1)C[*:1] O=C1c2oc3ccccc3c(=O)c2[C@]2(C(=O)N(c3ccccc32)[*:1])N1CCCO
Cc1cccc(CN2C(=O)[C@@]3(c4ccccc42)c2c(oc4ccccc4c2=O)C(=O)N3CCCO)c1 OCC[*:1] Cc1cccc(c1)CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2C[*:1]
C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc2c(c1)COC2 Fc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc2COCc2c1
Cc1ccc(F)c([C@H](N)C(F)(F)F)c1Cl FC(F)(F)[*:1] Cc1ccc(F)c(c1Cl)[C@H](N)[*:1]
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccsc1 c1cc(cs1)[*:1] Cc1nc2ccccn2c1C(=O)NNC(=O)[*:1]
Cc1cc(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)o1 O=[N+]([O-])[*:1] Cc1cc(C(=O)NNS(=O)(=O)c2ccc(cc2)[*:1])c(C)o1
Cc1cc(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(NNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
CCCc1nc(C(=O)N[C@@H](c2ccccc2)C(C)C)n[nH]1 CC(C)[*:1] CCCc1nc(n[nH]1)C(=O)N[C@@H](c1ccccc1)[*:1]
CCCc1nc(C(=O)N[C@@H](c2ccccc2)C(C)C)n[nH]1 c1ccc(cc1)[*:1] CCCc1nc(n[nH]1)C(=O)N[C@@H](C(C)C)[*:1]
CCCc1nc(C(=O)N[C@@H](c2ccccc2)C(C)C)n[nH]1 CCC[*:1] CC(C)[C@@H](NC(=O)c1n[nH]c(n1)[*:1])c1ccccc1
O=C(c1cc2cccc([N+](=O)[O-])c2[n-]1)N1CCC[C@H]1c1ccsc1 O=[N+]([O-])[*:1] O=C(c1cc2cccc(c2[n-]1)[*:1])N1CCC[C@H]1c1ccsc1
O=C(c1cc2cccc([N+](=O)[O-])c2[n-]1)N1CCC[C@H]1c1ccsc1 c1cc(cs1)[*:1] O=C(c1cc2cccc(c2[n-]1)[N+](=O)[O-])N1CCC[C@@H]1[*:1]
Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@H](C)[NH+](C)C)c1C Brc1ccc(cc1)[*:1] Cc1nn(c(NC(=O)[C@H](C)[NH+](C)C)c1C)[*:1]
Cc1cc2c(cc1Br)N(C(=O)Cc1cccnc1)C[C@H](C)O2 c1cncc(c1)[*:1] Cc1cc2O[C@@H](C)CN(C(=O)C[*:1])c2cc1Br
Cc1cc2c(cc1Br)N(C(=O)Cc1cccnc1)C[C@H](C)O2 c1cncc(c1)C[*:1] Cc1cc2O[C@@H](C)CN(C(=O)[*:1])c2cc1Br
N/C(=[NH+]\[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] N/C(=[NH+]\[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1ccc(cn1)[*:1]
N/C(=[NH+]\[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] N/C(=[NH+]\[N-]S(=O)(=O)c1ccccc1O[*:1])c1ccc(cn1)C(F)(F)F
N/C(=[NH+]\[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1ccc(C(F)(F)F)cn1 FC(F)(F)O[*:1] N/C(=[NH+]\[N-]S(=O)(=O)c1ccccc1[*:1])c1ccc(cn1)C(F)(F)F
CC[NH2+][C@H](Cc1cccc(Cl)c1)[C@@H]1CN(C(C)C)CCO1 Clc1cccc(c1)[*:1] CC[NH2+][C@H](C[*:1])[C@@H]1CN(CCO1)C(C)C
CC[NH2+][C@H](Cc1cccc(Cl)c1)[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] CC[NH2+][C@H](Cc1cccc(Cl)c1)[C@@H]1CN(CCO1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)/C=C/c2ccc(-c3ccccc3)s2)C1 CC(=O)N[*:1] O=C(/C=C/c1ccc(s1)-c1ccccc1)N1CCC[C@H](C1)C[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)/C=C/c2ccc(-c3ccccc3)s2)C1 c1ccc(cc1)[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)/C=C/c1ccc(s1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)/C=C/c2ccc(-c3ccccc3)s2)C1 CC(=O)NC[*:1] O=C(/C=C/c1ccc(s1)-c1ccccc1)N1CCC[C@H](C1)[*:1]
CC(C)(C)c1cc2[nH]c3c(c(=O)n2n1)CN(Cc1ccsc1)CC3 c1cc(cs1)[*:1] CC(C)(C)c1cc2[nH]c3CCN(Cc3c(=O)n2n1)C[*:1]
CC(C)(C)c1cc2[nH]c3c(c(=O)n2n1)CN(Cc1ccsc1)CC3 c1cc(cs1)C[*:1] CC(C)(C)c1cc2[nH]c3CCN(Cc3c(=O)n2n1)[*:1]
CC(C)(C)c1cc2[nH]c3c(c(=O)n2n1)CN(Cc1ccsc1)CC3 CC(C)(C)[*:1] O=c1c2CN(CCc2[nH]c2cc(nn12)[*:1])Cc1ccsc1
CC[C@@H](Cc1ccc(C)cc1)NC(=O)NC[C@](C)(O)c1ccco1 c1coc(c1)[*:1] CC[C@@H](Cc1ccc(C)cc1)NC(=O)NC[C@](C)(O)[*:1]
CC[C@@H](Cc1ccc(C)cc1)NC(=O)NC[C@](C)(O)c1ccco1 Cc1ccc(cc1)[*:1] CC[C@@H](C[*:1])NC(=O)NC[C@](C)(O)c1ccco1
CC[C@@H](Cc1ccc(C)cc1)NC(=O)NC[C@](C)(O)c1ccco1 Cc1ccc(cc1)C[*:1] CC[C@@H](NC(=O)NC[C@](C)(O)c1ccco1)[*:1]
CC(=O)Nc1c(C)cc(NC(=O)Cc2cccnc2)cc1C c1cncc(c1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)C[*:1]
CC(=O)Nc1c(C)cc(NC(=O)Cc2cccnc2)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])NC(=O)Cc1cccnc1
CC(=O)Nc1c(C)cc(NC(=O)Cc2cccnc2)cc1C c1cncc(c1)C[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)[*:1]
CCn1cc(CCNC(=O)Nc2cccc(Cl)c2)c2cccnc21 Clc1cccc(c1)[*:1] CCn1cc(CCNC(=O)N[*:1])c2cccnc21
Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C(C)C)c3)nc2c1 CC(C)[*:1] Cc1ccc2c(cc(nc2c1)-c1cnn(c1)[*:1])C(=O)N1CCC[C@H]1C
Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C(C)C)c3)nc2c1 C[C@@H]1CCCN1C(=O)[*:1] Cc1ccc2c(cc(nc2c1)-c1cnn(c1)C(C)C)[*:1]
Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C(C)C)c3)nc2c1 CC(C)n1cc(cn1)[*:1] Cc1ccc2c(cc(nc2c1)[*:1])C(=O)N1CCC[C@H]1C
CC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C CC(=O)[*:1] C[C@H]1C[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)[*:1]
Cc1ncccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C Cc1ncccc1[*:1] CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[*:1]
Cc1ncccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ncccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)O[*:1]
CCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(C)cc2)n1 CCC[*:1] Cc1ccc(cc1)-c1nc(co1)C[NH2+][C@H](C)[*:1]
CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 CNS(=O)(=O)[*:1] O=S(=O)(c1cccc(c1)[*:1])N1CCC[C@H]1c1ccc(F)cc1
CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CNS(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@@H]1[*:1]
O=C([O-])c1cc(F)ccc1OCc1ccc2c(c1)OCO2 O=C([O-])[*:1] Fc1ccc(OCc2ccc3OCOc3c2)c(c1)[*:1]
C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 O=C(c1ccccc1F)[*:1] C[C@@H](C[*:1])C(=O)N[C@@H]1CC(=O)N(C1)c1ccccc1
C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 Fc1ccccc1[*:1] C[C@@H](CC(=O)[*:1])C(=O)N[C@@H]1CC(=O)N(C1)c1ccccc1
C[NH+](Cc1cc(C#N)cs1)C1CCC1 C1CC(C1)[*:1] C[NH+](Cc1cc(C#N)cs1)[*:1]
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(F)c(F)c1 CN(C)C(=O)[*:1] CCN(Cc1ccc(cc1)[*:1])C(=O)c1ccc(F)c(F)c1
CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCN(Cc1ccc(cc1)C(=O)N(C)C)C(=O)[*:1]
O=C(CCCn1ccnn1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CCN(CC1)Cc1cn2cc(Cl)ccc2n1
O=C(CCCn1ccnn1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCN(CC1)Cc1cn2cc(Cl)ccc2n1
O=C(CCCn1ccnn1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 c1cn(CCC[*:1])nn1 O=C(N1CCN(CC1)Cc1cn2cc(Cl)ccc2n1)[*:1]
O=C(CCCn1ccnn1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCN(CC1)Cc1cn2cc(Cl)ccc2n1
O=C([O-])CNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 O=C([O-])C[*:1] O=C(N[*:1])c1cc(n[nH]1)-c1ccc(Cl)cc1
O=C([O-])CNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 O=C([O-])[*:1] O=C(NC[*:1])c1cc(n[nH]1)-c1ccc(Cl)cc1
C[C@H]1C(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]1C O=[N+]([O-])[*:1] C[C@H]1C(=O)N(CC(=O)c2ccc(cc2)[*:1])C(=O)[C@@H]1C
C[NH2+][C@H](C)c1ccnc(Sc2ncn[nH]2)c1 c1n[nH]c(n1)[*:1] C[NH2+][C@H](C)c1ccnc(c1)S[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CN2CCCCCC2=O)cc1 O=C1CCCCCN1[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H](C)OC(=O)C[*:1]
CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CN2CCCCCC2=O)cc1 CC(=O)[*:1] C[C@H](OC(=O)CN1CCCCCC1=O)C(=O)Nc1ccc(cc1)[*:1]
COCCN(CCC#N)C(=O)Nc1nc(C(C)C)nn1C CC(C)[*:1] COCCN(CCC#N)C(=O)Nc1nc(nn1C)[*:1]
COCCN(CCC#N)C(=O)Nc1nc(C(C)C)nn1C COC[*:1] CC(C)c1nc(NC(=O)N(CCC#N)C[*:1])n(C)n1
COCCN(CCC#N)C(=O)Nc1nc(C(C)C)nn1C N#CC[*:1] COCCN(C[*:1])C(=O)Nc1nc(nn1C)C(C)C
COCCN(CCC#N)C(=O)Nc1nc(C(C)C)nn1C COCC[*:1] CC(C)c1nc(NC(=O)N(CCC#N)[*:1])n(C)n1
COCCN(CCC#N)C(=O)Nc1nc(C(C)C)nn1C N#CCC[*:1] COCCN(C(=O)Nc1nc(nn1C)C(C)C)[*:1]
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccsc3)ccc21 c1cc(cs1)[*:1] CCCN1C(=O)C(C)(C)COc2cc(ccc21)NC(=O)[*:1]
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccsc3)ccc21 CCC[*:1] CC1(C)COc2cc(ccc2N(C1=O)[*:1])NC(=O)c1ccsc1
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccsc3)ccc21 O=C(N[*:1])c1ccsc1 CCCN1C(=O)C(C)(C)COc2cc(ccc21)[*:1]
Fc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1 Fc1ccc(cc1)[*:1] c1nc(nc2CCN(Cc12)C[*:1])N1CCOCC1
Fc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1 C1CN(CCO1)[*:1] Fc1ccc(cc1)CN1CCc2nc(ncc2C1)[*:1]
Fc1ccc(CN2CCc3nc(N4CCOCC4)ncc3C2)cc1 Fc1ccc(cc1)C[*:1] c1nc(nc2CCN(Cc12)[*:1])N1CCOCC1
Cc1ccc(O)c(C(=O)NCc2ccc(C(=O)[O-])o2)c1 O=C([O-])[*:1] Cc1ccc(O)c(c1)C(=O)NCc1ccc(o1)[*:1]
CCC[NH2+][C@@H]1CCC[C@H]1CCOc1ccc(F)cc1 CCC[*:1] Fc1ccc(cc1)OCC[C@@H]1CCC[C@H]1[NH2+][*:1]
O=C(Cc1ccc2c(c1)OCO2)N(Cc1ccco1)c1nc2ccc(Cl)cc2s1 c1cc2OCOc2cc1[*:1] O=C(C[*:1])N(Cc1ccco1)c1nc2ccc(Cl)cc2s1
O=C(Cc1ccc2c(c1)OCO2)N(Cc1ccco1)c1nc2ccc(Cl)cc2s1 c1coc(c1)C[*:1] O=C(Cc1ccc2OCOc2c1)N(c1nc2ccc(Cl)cc2s1)[*:1]
O=C(Cc1ccc2c(c1)OCO2)N(Cc1ccco1)c1nc2ccc(Cl)cc2s1 c1coc(c1)[*:1] O=C(Cc1ccc2OCOc2c1)N(C[*:1])c1nc2ccc(Cl)cc2s1
CNS(=O)(=O)c1ccc(C(=O)NCc2cccc3ccccc23)cc1 CNS(=O)(=O)[*:1] O=C(NCc1cccc2ccccc12)c1ccc(cc1)[*:1]
COC(=O)C(C[C@@]1(c2ccccc2)CC1(Cl)Cl)=C(Cl)Cl c1ccc(cc1)[*:1] COC(=O)C(C[C@]1(CC1(Cl)Cl)[*:1])=C(Cl)Cl
COC(=O)C(C[C@@]1(c2ccccc2)CC1(Cl)Cl)=C(Cl)Cl COC(=O)[*:1] ClC(Cl)=C(C[C@]1(CC1(Cl)Cl)c1ccccc1)[*:1]
C[C@H](c1ccccc1F)N(C(=O)NCc1ccc(O)c(F)c1)C1CC1 C1CC1[*:1] C[C@H](c1ccccc1F)N(C(=O)NCc1ccc(O)c(F)c1)[*:1]
C[C@H](c1ccccc1F)N(C(=O)NCc1ccc(O)c(F)c1)C1CC1 Fc1ccccc1[*:1] C[C@H](N(C(=O)NCc1ccc(O)c(F)c1)C1CC1)[*:1]
C[C@H](c1ccccc1F)N(C(=O)NCc1ccc(O)c(F)c1)C1CC1 Oc1ccc(cc1F)[*:1] C[C@H](c1ccccc1F)N(C(=O)NC[*:1])C1CC1
COC(=O)[C@H](c1ccccc1F)[C@H]1C=C[C@@H](NC(=O)c2cc(F)cc(C(F)(F)F)c2)C1 COC(=O)[*:1] O=C(N[C@@H]1C=C[C@@H](C1)[C@@H](c1ccccc1F)[*:1])c1cc(F)cc(c1)C(F)(F)F
COC(=O)[C@H](c1ccccc1F)[C@H]1C=C[C@@H](NC(=O)c2cc(F)cc(C(F)(F)F)c2)C1 Fc1ccccc1[*:1] COC(=O)[C@H]([C@H]1C=C[C@H](C1)NC(=O)c1cc(F)cc(c1)C(F)(F)F)[*:1]
COC(=O)[C@H](c1ccccc1F)[C@H]1C=C[C@@H](NC(=O)c2cc(F)cc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] COC(=O)[C@H](c1ccccc1F)[C@H]1C=C[C@H](C1)NC(=O)c1cc(F)cc(c1)[*:1]
Cc1cccc(OC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 Cc1cccc(c1)[*:1] O=C(O[*:1])c1ccc(o1)-c1ccccc1[N+](=O)[O-]
Cc1cccc(OC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)OC(=O)c1ccc(o1)-c1ccccc1[*:1]
CCc1ccc([C@@H](COC)NC(=O)[C@@H]2CSC(=O)N2)o1 O=C1N[C@@H](CS1)[*:1] CCc1ccc(o1)[C@@H](COC)NC(=O)[*:1]
CCc1ccc([C@@H](COC)NC(=O)[C@@H]2CSC(=O)N2)o1 COC[*:1] CCc1ccc(o1)[C@@H](NC(=O)[C@@H]1CSC(=O)N1)[*:1]
CCOC(=O)C1=C(C)Nc2nc(COC)nn2[C@@H]1c1ccc2c(c1)OCCO2 COC[*:1] CCOC(=O)C1=C(C)Nc2nc(nn2[C@@H]1c1ccc2OCCOc2c1)[*:1]
CCOC(=O)C1=C(C)Nc2nc(COC)nn2[C@@H]1c1ccc2c(c1)OCCO2 CCOC(=O)[*:1] COCc1nc2NC(C)=C([C@@H](c3ccc4OCCOc4c3)n2n1)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)Nc2cc(C(=O)N(C)C)ccc2F)C12CCC2 CCO[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)N[C@@H]1C[C@H](C12CCC2)[*:1]
CCO[C@@H]1C[C@@H](NC(=O)Nc2cc(C(=O)N(C)C)ccc2F)C12CCC2 CN(C)C(=O)[*:1] CCO[C@@H]1C[C@@H](NC(=O)Nc2cc(ccc2F)[*:1])C12CCC2
O=C(COn1nnc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccc(F)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(COn1nnc2ccc(cc21)[*:1])NCc1ccc(F)cc1
O=C(COn1nnc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(COn1nnc2ccc(cc21)S(=O)(=O)N1CCCCC1)N[*:1]
O=C(COn1nnc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COn1nnc2ccc(cc21)S(=O)(=O)N1CCCCC1)NC[*:1]
CCCOc1ncnc(N2CCC[C@H]2C[NH+](C)C)c1N CCC[*:1] C[NH+](C)C[C@@H]1CCCN1c1ncnc(O[*:1])c1N
CCCOc1ncnc(N2CCC[C@H]2C[NH+](C)C)c1N CCCO[*:1] C[NH+](C)C[C@@H]1CCCN1c1ncnc(c1N)[*:1]
CC(C)n1nccc1NS(=O)(=O)c1ccc(C(N)=O)cc1 CC(C)[*:1] NC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccnn1[*:1]
CC(C)n1nccc1NS(=O)(=O)c1ccc(C(N)=O)cc1 NC(=O)[*:1] CC(C)n1nccc1NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1cc(C)cc(OCCN(C)C(=O)c2ccc3c(c2)OCC(=O)N3)c1 Cc1cc(C)cc(c1)[*:1] CN(CCO[*:1])C(=O)c1ccc2NC(=O)COc2c1
CN(C(=O)c1ccc(F)cc1)C1CC[NH+](Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] CN(C(=O)c1ccc(F)cc1)C1CC[NH+](CC1)[*:1]
CN(C(=O)c1ccc(F)cc1)C1CC[NH+](Cc2ccncc2)CC1 c1cc(ccn1)[*:1] CN(C(=O)c1ccc(F)cc1)C1CC[NH+](CC1)C[*:1]
CN(C(=O)c1ccc(F)cc1)C1CC[NH+](Cc2ccncc2)CC1 Fc1ccc(cc1)[*:1] CN(C(=O)[*:1])C1CC[NH+](CC1)Cc1ccncc1
CN(C[C@H](O)c1cccc(Cl)c1)[C@@H](CCO)c1ccccc1 OCC[*:1] CN(C[C@H](O)c1cccc(Cl)c1)[C@@H](c1ccccc1)[*:1]
CN(C[C@H](O)c1cccc(Cl)c1)[C@@H](CCO)c1ccccc1 Clc1cccc(c1)[*:1] CN(C[C@H](O)[*:1])[C@@H](CCO)c1ccccc1
CN(C[C@H](O)c1cccc(Cl)c1)[C@@H](CCO)c1ccccc1 c1ccc(cc1)[*:1] CN(C[C@H](O)c1cccc(Cl)c1)[C@@H](CCO)[*:1]
CCN(C[C@@H]1CCCO1)C(=O)C(C)(C)c1cccc(C#N)c1 C1CO[C@@H](C1)[*:1] CCN(C[*:1])C(=O)C(C)(C)c1cccc(C#N)c1
CCN(C[C@@H]1CCCO1)C(=O)C(C)(C)c1cccc(C#N)c1 C1CO[C@@H](C1)C[*:1] CCN(C(=O)C(C)(C)c1cccc(C#N)c1)[*:1]
CCOc1ccccc1N1CCN(CC(=O)Nc2cccc(C(C)=O)c2)CC1 CC(=O)c1cccc(c1)[*:1] CCOc1ccccc1N1CCN(CC1)CC(=O)N[*:1]
CCOc1ccccc1N1CCN(CC(=O)Nc2cccc(C(C)=O)c2)CC1 CCOc1ccccc1[*:1] CC(=O)c1cccc(c1)NC(=O)CN1CCN(CC1)[*:1]
CCOc1ccccc1N1CCN(CC(=O)Nc2cccc(C(C)=O)c2)CC1 CCO[*:1] CC(=O)c1cccc(c1)NC(=O)CN1CCN(CC1)c1ccccc1[*:1]
CCOc1ccccc1N1CCN(CC(=O)Nc2cccc(C(C)=O)c2)CC1 CC(=O)[*:1] CCOc1ccccc1N1CCN(CC1)CC(=O)Nc1cccc(c1)[*:1]
C/[NH+]=C(/NCCc1cccs1)NCc1ccc(F)cc1 c1csc(c1)C[*:1] C/[NH+]=C(\NCc1ccc(F)cc1)NC[*:1]
C/[NH+]=C(/NCCc1cccs1)NCc1ccc(F)cc1 c1csc(c1)[*:1] C/[NH+]=C(/NCC[*:1])NCc1ccc(F)cc1
C[C@@H]([NH3+])Cc1ccccc1[S@@](=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([NH3+])Cc1ccccc1[S@@](=O)[*:1]
COC(=O)CN(CC#N)CC(=O)N(C)c1nccs1 COC(=O)C[*:1] CN(C(=O)CN(CC#N)[*:1])c1nccs1
COC(=O)CN(CC#N)CC(=O)N(C)c1nccs1 COC(=O)[*:1] CN(C(=O)CN(CC#N)C[*:1])c1nccs1
COC(=O)CN(CC#N)CC(=O)N(C)c1nccs1 c1csc(n1)[*:1] COC(=O)CN(CC#N)CC(=O)N(C)[*:1]
COC(=O)CN(CC#N)CC(=O)N(C)c1nccs1 N#CC[*:1] COC(=O)CN(CC(=O)N(C)c1nccs1)[*:1]
CC[C@@H]1CN(C(=O)c2nc(C)ncc2Cl)C[C@H]1N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1nc(C)ncc1Cl
CC[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1ccc(C)c(F)c1 N#Cc1ccc(cc1)[*:1] CC[C@@H](NC(=O)NC[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)NCc1ccc(C#N)cc1)[*:1]
Cc1nc(-c2ccccc2)sc1CN1CC[C@](O)(C(F)(F)F)C1 c1ccc(cc1)[*:1] Cc1nc(sc1CN1CC[C@@](O)(C1)C(F)(F)F)[*:1]
Cc1nc(-c2ccccc2)sc1CN1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] Cc1nc(sc1CN1CC[C@](O)(C1)[*:1])-c1ccccc1
COc1ccc([C@@H]2CCCN2C(=O)C2=NC=C(C(C)=O)C2)cc1 CC(=O)[*:1] COc1ccc(cc1)[C@@H]1CCCN1C(=O)C1CC(=CN=1)[*:1]
CC[C@@H](C)NC(=O)C1CN(c2nc3ccccc3s2)C1 CC[C@@H](C)[*:1] O=C(N[*:1])C1CN(C1)c1nc2ccccc2s1
CC(=O)Nc1nc2ccc(NC(=O)c3c(C)cc(C)cc3C)cc2s1 CC(=O)N[*:1] Cc1cc(C)c(C(=O)Nc2ccc3nc(sc3c2)[*:1])c(C)c1
COC(=O)CSc1nnc(N)n1[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1 COC(=O)CS[*:1] Cc1ccc2nc(NC(=O)[C@@H](C)n3c(N)nnc3[*:1])sc2c1
COC(=O)CSc1nnc(N)n1[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1 COC(=O)[*:1] Cc1ccc2nc(NC(=O)[C@@H](C)n3c(N)nnc3SC[*:1])sc2c1
COC(=O)CSc1nnc(N)n1[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1 COC(=O)C[*:1] Cc1ccc2nc(NC(=O)[C@@H](C)n3c(N)nnc3S[*:1])sc2c1
CC[C@H]1CCCC[C@@H]1NC(=O)CCc1nncn1-c1ccccc1 c1ccc(cc1)[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)CCc1nncn1[*:1]
CCCCN(C(=O)c1cccnc1)[C@H](C)c1ccccc1 CCCC[*:1] C[C@H](c1ccccc1)N(C(=O)c1cccnc1)[*:1]
CCCCN(C(=O)c1cccnc1)[C@H](C)c1ccccc1 CCC[*:1] C[C@H](c1ccccc1)N(C[*:1])C(=O)c1cccnc1
CCCCN(C(=O)c1cccnc1)[C@H](C)c1ccccc1 c1cncc(c1)[*:1] CCCCN(C(=O)[*:1])[C@H](C)c1ccccc1
CCCCN(C(=O)c1cccnc1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCCCN(C(=O)c1cccnc1)[C@H](C)[*:1]
COc1ccccc1C[C@@H](C)Cc1nc(C(C)(C)NC(C)=O)no1 CC(=O)NC(C)(C)[*:1] COc1ccccc1C[C@@H](C)Cc1nc(no1)[*:1]
COc1ccccc1C[C@@H](C)Cc1nc(C(C)(C)NC(C)=O)no1 CC(=O)N[*:1] COc1ccccc1C[C@@H](C)Cc1nc(no1)C(C)(C)[*:1]
COc1ccccc1C[C@@H](C)Cc1nc(C(C)(C)NC(C)=O)no1 COc1ccccc1[*:1] CC(=O)NC(C)(C)c1noc(C[C@H](C)C[*:1])n1
Cc1cc(C)c(C(=O)[C@H](C)Oc2ccccc2N)cc1C Nc1ccccc1[*:1] Cc1cc(C)c(cc1C)C(=O)[C@H](C)O[*:1]
O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 c1coc(c1)[*:1] O=C(NCc1cccs1)C(=O)NC[C@H](N1CCc2ccccc21)[*:1]
O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 c1csc(c1)C[*:1] O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)N[*:1]
O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 c1ccc2c(c1)CCN2[*:1] O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)[*:1]
O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 c1csc(c1)[*:1] O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)NC[*:1]
Cc1ccc(-c2nc(CCNC(=O)N[C@@H](C)[C@H](C)CO)co2)cc1 C[C@H](CO)[*:1] Cc1ccc(cc1)-c1nc(co1)CCNC(=O)N[C@@H](C)[*:1]
Cc1ccc(-c2nc(CCNC(=O)N[C@@H](C)[C@H](C)CO)co2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CO)[C@H](C)NC(=O)NCCc1coc(n1)[*:1]
CC(C)(C)OC(=O)N1CCCC[C@@H]1COCc1cncs1 CC(C)(C)[*:1] O=C(O[*:1])N1CCCC[C@@H]1COCc1cncs1
CC(C)(C)OC(=O)N1CCCC[C@@H]1COCc1cncs1 c1ncc(C[*:1])s1 CC(C)(C)OC(=O)N1CCCC[C@@H]1CO[*:1]
CC(C)(C)OC(=O)N1CCCC[C@@H]1COCc1cncs1 c1ncc(CO[*:1])s1 CC(C)(C)OC(=O)N1CCCC[C@@H]1C[*:1]
CC(C)(C)OC(=O)N1CCCC[C@@H]1COCc1cncs1 c1ncc(s1)[*:1] CC(C)(C)OC(=O)N1CCCC[C@@H]1COC[*:1]
CCOC(=O)CN1CCO[C@@H](c2ccccc2F)C1 CCOC(=O)C[*:1] Fc1ccccc1[C@H]1CN(CCO1)[*:1]
CCOC(=O)CN1CCO[C@@H](c2ccccc2F)C1 CCOC(=O)[*:1] Fc1ccccc1[C@H]1CN(CCO1)C[*:1]
CC(C)C[C@@H](O)CNC(=O)Nc1cccc(-c2ncon2)c1 c1nc(no1)[*:1] CC(C)C[C@@H](O)CNC(=O)Nc1cccc(c1)[*:1]
CC(C)C[C@@H](O)CNC(=O)Nc1cccc(-c2ncon2)c1 CC(C)C[C@@H](O)C[*:1] O=C(Nc1cccc(c1)-c1ncon1)N[*:1]
CC(C)C[C@@H](O)CNC(=O)Nc1cccc(-c2ncon2)c1 CC(C)[*:1] O=C(NC[C@H](O)C[*:1])Nc1cccc(c1)-c1ncon1
CC(C)C[C@@H](O)CNC(=O)Nc1cccc(-c2ncon2)c1 CC(C)C[*:1] O=C(NC[C@H](O)[*:1])Nc1cccc(c1)-c1ncon1
CC(C)C[C@@H](O)CNC(=O)Nc1cccc(-c2ncon2)c1 CC(C)C[C@@H](O)[*:1] O=C(NC[*:1])Nc1cccc(c1)-c1ncon1
Cc1ccc(C)c(N2N=C(C(=O)N3CC[C@H](C)[C@@H](O)C3)CCC2=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)C1CCC(=O)N(N=1)[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)CCc1ccccn1 c1ccc(nc1)[*:1] COC(=O)[C@H]1CCCCC[C@H]1NC(=O)CC[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)CCc1ccccn1 c1ccc(C[*:1])nc1 COC(=O)[C@H]1CCCCC[C@H]1NC(=O)C[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)CCc1ccccn1 COC(=O)[*:1] O=C(CCc1ccccn1)N[C@@H]1CCCCC[C@@H]1[*:1]
O=C(c1cnn(Cc2ccccc2)c1)N1CCC(OCc2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(c1cnn(c1)C[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(c1cnn(Cc2ccccc2)c1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1cnn(c1)Cc1ccccc1)N1CCC(CC1)OC[*:1]
O=C(c1cnn(Cc2ccccc2)c1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] O=C(c1cnn(c1)Cc1ccccc1)N1CCC(CC1)[*:1]
O=C(c1cnn(Cc2ccccc2)c1)N1CCC(OCc2ccccc2F)CC1 c1ccc(cc1)C[*:1] O=C(c1cnn(c1)[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(c1cnn(Cc2ccccc2)c1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(c1cnn(c1)Cc1ccccc1)N1CCC(CC1)O[*:1]
Cc1csc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1 Cc1csc(n1)S[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[*:1]
Cc1csc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1 Cc1csc(n1)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CS[*:1]
CC(C)OCCCNc1ccc(F)cc1[N+](=O)[O-] CC(C)OCC[*:1] O=[N+]([O-])c1cc(F)ccc1NC[*:1]
CC(C)OCCCNc1ccc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)OCCCNc1ccc(F)cc1[*:1]
CC(C)OCCCNc1ccc(F)cc1[N+](=O)[O-] CC(C)O[*:1] O=[N+]([O-])c1cc(F)ccc1NCCC[*:1]
CC(C)OCCCNc1ccc(F)cc1[N+](=O)[O-] CC(C)[*:1] O=[N+]([O-])c1cc(F)ccc1NCCCO[*:1]
CC(C)OCCCNc1ccc(F)cc1[N+](=O)[O-] CC(C)OC[*:1] O=[N+]([O-])c1cc(F)ccc1NCC[*:1]
COc1cc(CN(C(=O)Nc2cnccc2C)C2CC2)ccc1O C1CC1[*:1] COc1cc(ccc1O)CN(C(=O)Nc1cnccc1C)[*:1]
COc1cc(CN(C(=O)Nc2cnccc2C)C2CC2)ccc1O Cc1ccncc1[*:1] COc1cc(ccc1O)CN(C(=O)N[*:1])C1CC1
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Oc3nc(Cl)ncc3F)cc2)cc1 Fc1cnc(Cl)nc1O[*:1] Cc1ccc(cc1)S(=O)(=O)N/N=C/c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Oc3nc(Cl)ncc3F)cc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N/N=C/c1ccc(cc1)Oc1nc(Cl)ncc1F)[*:1]
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Oc3nc(Cl)ncc3F)cc2)cc1 Fc1cnc(Cl)nc1[*:1] Cc1ccc(cc1)S(=O)(=O)N/N=C/c1ccc(cc1)O[*:1]
O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1-c1ccc(Cl)cc1)[*:1]
O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1c(F)cccc1F Clc1ccc(cc1)[*:1] O=C(Nc1c2CS(=O)(=O)Cc2nn1[*:1])c1c(F)cccc1F
CNc1cc([N+](=O)[O-])ccc1N/C=C\C(=O)c1ccc2ccccc2c1 O=[N+]([O-])[*:1] CNc1cc(ccc1N/C=C\C(=O)c1ccc2ccccc2c1)[*:1]
CN(C)C(=O)C[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4cccc(Cl)c4)ccc3n2)CC1 O=C([O-])[*:1] CN(C)C(=O)C[NH+]1CCN(CC1)c1cc(c2cc(ccc2n1)NC(=O)c1cccc(Cl)c1)[*:1]
CN(C)C(=O)C[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4cccc(Cl)c4)ccc3n2)CC1 Clc1cccc(c1)[*:1] CN(C)C(=O)C[NH+]1CCN(CC1)c1cc(C(=O)[O-])c2cc(ccc2n1)NC(=O)[*:1]
CN(C)C(=O)C[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4cccc(Cl)c4)ccc3n2)CC1 CN(C)C(=O)[*:1] O=C(Nc1ccc2nc(cc(C(=O)[O-])c2c1)N1CC[NH+](CC1)C[*:1])c1cccc(Cl)c1
CN(C)C(=O)C[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4cccc(Cl)c4)ccc3n2)CC1 O=C(N[*:1])c1cccc(Cl)c1 CN(C)C(=O)C[NH+]1CCN(CC1)c1cc(C(=O)[O-])c2cc(ccc2n1)[*:1]
CC[C@H](C)N(C)C(=O)Nc1ccc2c(c1)CCC2 CC[C@H](C)[*:1] CN(C(=O)Nc1ccc2CCCc2c1)[*:1]
N#C/C(=C/c1cccn1-c1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(O)cc1 O=C([O-])[*:1] N#C/C(=C/c1cccn1-c1ccc(cc1)[*:1])C(=O)Nc1ccc(O)cc1
N#C/C(=C/c1cccn1-c1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(O)cc1 O=C([O-])c1ccc(cc1)[*:1] N#C/C(=C/c1cccn1[*:1])C(=O)Nc1ccc(O)cc1
N#C/C(=C/c1cccn1-c1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(O)cc1 Oc1ccc(cc1)[*:1] N#C/C(=C/c1cccn1-c1ccc(cc1)C(=O)[O-])C(=O)N[*:1]
CC(C)n1ncnc1C[C@@H](C[NH3+])c1ccccc1Br CC(C)[*:1] [NH3+]C[C@H](Cc1ncnn1[*:1])c1ccccc1Br
COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(N)=O)cc1 COc1ccc(cc1)[*:1] NC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])NC(=O)[*:1]
COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(N)=O)cc1 NC(=O)[*:1] COc1ccc(cc1)C(=O)N/C(=C/c1cccc(c1)[N+](=O)[O-])[*:1]
COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(N)=O)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C(=O)N/C(=C/c1cccc(c1)[*:1])C(N)=O
O=C(Cc1ccccc1Cl)Nc1ccccc1-c1ncc[nH]1 Clc1ccccc1[*:1] O=C(C[*:1])Nc1ccccc1-c1ncc[nH]1
O=C(Cc1ccccc1Cl)Nc1ccccc1-c1ncc[nH]1 c1c[nH]c(n1)[*:1] O=C(Cc1ccccc1Cl)Nc1ccccc1[*:1]
CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(-c2ccc(C#N)cc2)cc1 CC(C)S(=O)(=O)N[*:1] C[C@H](C[*:1])c1ccc(cc1)-c1ccc(C#N)cc1
CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(-c2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(cc1)[*:1]
CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(-c2ccc(C#N)cc2)cc1 CC(C)S(=O)(=O)NC[*:1] C[C@@H](c1ccc(cc1)-c1ccc(C#N)cc1)[*:1]
CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(-c2ccc(C#N)cc2)cc1 CC(C)[*:1] C[C@H](CNS(=O)(=O)[*:1])c1ccc(cc1)-c1ccc(C#N)cc1
CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(Cl)cccc3s2)c1 CCS(=O)(=O)[*:1] O=C(Nc1nc2c(Cl)cccc2s1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)Nc1ccncc1)c1ccc2c(c1)OCO2 c1cc(ccn1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc2OCOc2c1
CCc1nc([C@H](C)[NH2+][C@H](C)c2nccs2)cs1 c1csc(n1)[*:1] CCc1nc(cs1)[C@H](C)[NH2+][C@H](C)[*:1]
CCCC(=O)Nc1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1 CCCC(=O)N[*:1] O=C(c1ccoc1)N1CCC(CC1)[NH2+]Cc1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1 CCC[*:1] O=C(c1ccoc1)N1CCC(CC1)[NH2+]Cc1ccc(cc1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1 c1cc(co1)[*:1] CCCC(=O)Nc1ccc(cc1)C[NH2+]C1CCN(CC1)C(=O)[*:1]
Cc1ccc(-c2n[nH]cc2CN(C)[C@H](C)CS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN(C)[C@H](C)[*:1]
Cc1ccc(-c2n[nH]cc2CN(C)[C@H](C)CS(C)(=O)=O)cc1 C[C@H](CS(C)(=O)=O)[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN(C)[*:1]
Cc1ccc(-c2n[nH]cc2CN(C)[C@H](C)CS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)-c1n[nH]cc1CN(C)[C@H](C)C[*:1]
Cc1ccc(-c2n[nH]cc2CN(C)[C@H](C)CS(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] C[C@H](CS(C)(=O)=O)N(C)Cc1c[nH]nc1[*:1]
CCOc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2SCC)ccc1C CCS[*:1] CCOc1cc(ccc1C)NC(=O)C(=O)N[C@H]1CCCC[C@H]1[*:1]
CCOc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2SCC)ccc1C CCO[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C)c(c1)[*:1]
CC[C@H](NC(=O)NC[C@H](O)c1ccccc1C)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)NC[C@H](O)c1ccccc1C)[*:1]
CC[C@H](NC(=O)NC[C@H](O)c1ccccc1C)c1c(C)nn(C)c1C Cc1ccccc1[*:1] CC[C@H](NC(=O)NC[C@H](O)[*:1])c1c(C)nn(C)c1C
COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc(OC)c1 COc1cc(cc(c1)[*:1])OC O=S(=O)([N-]c1nc2ccccc2nc1N[*:1])c1ccccc1
COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc(OC)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)OC)Nc1nc2ccccc2nc1[N-]S(=O)(=O)[*:1]
CC(C)S(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 CC(C)[*:1] O=C(NCC(F)(F)F)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)S(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 FC(F)(F)C[*:1] CC(C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC(C)S(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 FC(F)(F)[*:1] CC(C)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
C[C@H](CCCO)NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H](CCCO)NC(=O)N1CCC[C@H]1[*:1]
C[C@H](CCCO)NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 OCC[*:1] C[C@H](C[*:1])NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1
C[C@H](CCCO)NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 C[C@H](CCCO)[*:1] O=C(N[*:1])N1CCC[C@@H]1c1cccc(Cl)c1
C[C@H](CCCO)NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 OCCC[*:1] C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(Cl)c1)[*:1]
COc1ccc(-c2c[nH]c3c(SCC(=O)Nc4ccc(NC(C)=O)cc4)ncnc23)cc1 CC(=O)Nc1ccc(cc1)[*:1] COc1ccc(cc1)-c1c[nH]c2c(ncnc12)SCC(=O)N[*:1]
COc1ccc(-c2c[nH]c3c(SCC(=O)Nc4ccc(NC(C)=O)cc4)ncnc23)cc1 CC(=O)N[*:1] COc1ccc(cc1)-c1c[nH]c2c(ncnc12)SCC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(-c2c[nH]c3c(SCC(=O)Nc4ccc(NC(C)=O)cc4)ncnc23)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CSc1ncnc2c(c[nH]c12)[*:1]
COc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cc(Cl)ccc1F O=[N+]([O-])[*:1] COc1cc(ccc1OCC(=O)Nc1cc(Cl)ccc1F)[*:1]
COc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cc(Cl)ccc1F Fc1ccc(Cl)cc1[*:1] COc1cc(ccc1OCC(=O)N[*:1])[N+](=O)[O-]
CCN[C@@H](c1ccccc1OC)C(C)(C)[NH+]1CCCCC1 CCN[*:1] COc1ccccc1[C@@H](C(C)(C)[NH+]1CCCCC1)[*:1]
CCC[C@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)s1 CCC[C@H](C)[*:1] Cc1cc(C)cc(c1)N1C[C@@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
CCC[C@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)s1 Cc1cc(C)cc(c1)[*:1] CCC[C@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
CCC[C@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)s1 CCC[*:1] Cc1cc(C)cc(c1)N1C[C@@H](CC1=O)C(=O)Nc1nnc(s1)[C@@H](C)[*:1]
O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccnc2ncccc12 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)Nc1ccccc1)[*:1])c1ccnc2ncccc12
O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccnc2ncccc12 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)N[*:1])c1ccccc1)c1ccnc2ncccc12
O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccnc2ncccc12 O=C(Nc1ccccc1)[*:1] O=C(N[C@@H](c1ccccc1)[*:1])c1ccnc2ncccc12
Fc1ccc(-c2cnc(C[NH+]3CCC(OCc4ccccc4F)CC3)o2)cc1 Fc1ccccc1[*:1] Fc1ccc(cc1)-c1cnc(C[NH+]2CCC(CC2)OC[*:1])o1
Fc1ccc(-c2cnc(C[NH+]3CCC(OCc4ccccc4F)CC3)o2)cc1 Fc1ccccc1C[*:1] Fc1ccc(cc1)-c1cnc(C[NH+]2CCC(CC2)O[*:1])o1
Fc1ccc(-c2cnc(C[NH+]3CCC(OCc4ccccc4F)CC3)o2)cc1 Fc1ccc(cc1)[*:1] Fc1ccccc1COC1CC[NH+](CC1)Cc1ncc(o1)[*:1]
Fc1ccc(-c2cnc(C[NH+]3CCC(OCc4ccccc4F)CC3)o2)cc1 Fc1ccccc1CO[*:1] Fc1ccc(cc1)-c1cnc(C[NH+]2CCC(CC2)[*:1])o1
CCN[C@H](c1cc(F)c(C)cc1F)C(F)(F)C(F)(F)F FC(F)(F)[*:1] CCN[C@H](c1cc(F)c(C)cc1F)C(F)(F)[*:1]
CCN[C@H](c1cc(F)c(C)cc1F)C(F)(F)C(F)(F)F CCN[*:1] Cc1cc(F)c(cc1F)[C@H](C(F)(F)C(F)(F)F)[*:1]
O=C(c1cccc(-c2ncc[nH]2)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)-c1ncc[nH]1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1cccc(-c2ncc[nH]2)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 c1c[nH]c(n1)[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1
CC[C@H](C)NS(=O)(=O)c1ccc(Cl)c2ccccc12 CC[C@H](C)[*:1] O=S(=O)(N[*:1])c1ccc(Cl)c2ccccc12
CSC[C@H]1CCN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)C1 CSC[*:1] O=c1[nH]c2cc(Cl)c(cc2o1)S(=O)(=O)N1CC[C@@H](C1)[*:1]
CCn1c(=S)sc2c(=O)[nH]c(-c3ccccc3)nc21 c1ccc(cc1)[*:1] CCn1c(=S)sc2c(=O)[nH]c(nc21)[*:1]
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C[NH+]1CCCCC1)[C@H]1CCC(=O)N1S(=O)(=O)[*:1]
O=S(=O)(Cc1ccccc1)Cc1nnc(-c2ccccc2F)o1 c1ccc(cc1)[*:1] O=S(=O)(Cc1nnc(o1)-c1ccccc1F)C[*:1]
O=S(=O)(Cc1ccccc1)Cc1nnc(-c2ccccc2F)o1 Fc1ccccc1[*:1] O=S(=O)(Cc1ccccc1)Cc1nnc(o1)[*:1]
O=S(=O)(Cc1ccccc1)Cc1nnc(-c2ccccc2F)o1 c1ccc(cc1)C[*:1] O=S(=O)(Cc1nnc(o1)-c1ccccc1F)[*:1]
Cc1cc(N2CCC([NH+](C)CCCc3nnc(C)o3)CC2)nc(C)[nH+]1 Cc1nnc(CC[*:1])o1 Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)C[*:1]
Cc1cc(N2CCC([NH+](C)CCCc3nnc(C)o3)CC2)nc(C)[nH+]1 Cc1nnc(o1)[*:1] Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)CCC[*:1]
Cc1cc(N2CCC([NH+](C)CCCc3nnc(C)o3)CC2)nc(C)[nH+]1 Cc1cc(nc(C)[nH+]1)[*:1] Cc1nnc(CCC[NH+](C)C2CCN(CC2)[*:1])o1
Cc1cc(N2CCC([NH+](C)CCCc3nnc(C)o3)CC2)nc(C)[nH+]1 Cc1nnc(C[*:1])o1 Cc1cc(nc(C)[nH+]1)N1CCC(CC1)[NH+](C)CC[*:1]
CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 CNC(=O)[*:1] O=S(=O)(c1cccc2nsnc12)N1CCCC[C@H]1[*:1]
Cc1ccc(C[NH+]2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)o1 Cc1ccc(o1)[*:1] O=C(NCc1ccccn1)C1CCN(CC1)C1CC[NH+](CC1)C[*:1]
Cc1ccc(C[NH+]2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)o1 c1ccc(nc1)[*:1] Cc1ccc(C[NH+]2CCC(CC2)N2CCC(CC2)C(=O)NC[*:1])o1
Cc1ccc(C[NH+]2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)o1 c1ccc(C[*:1])nc1 Cc1ccc(C[NH+]2CCC(CC2)N2CCC(CC2)C(=O)N[*:1])o1
C=C(CSc1cc(N)ccc1C)C(=O)OCC CCOC(=O)[*:1] C=C(CSc1cc(N)ccc1C)[*:1]
CNC(=O)c1ccc(C)c(N[C@@H](C)c2ccoc2)c1 CNC(=O)[*:1] Cc1ccc(cc1N[C@@H](C)c1ccoc1)[*:1]
CNC(=O)c1ccc(C)c(N[C@@H](C)c2ccoc2)c1 c1cc(co1)[*:1] CNC(=O)c1ccc(C)c(c1)N[C@@H](C)[*:1]
CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)n1nc(C)c2c(C)onc2c1=O Cc1ccc(cc1C)[*:1] CC[C@@H](C(=O)N[*:1])n1nc(C)c2c(C)onc2c1=O
Cc1noc(COC(=O)c2cnc([C@@H]3CCCO3)s2)n1 Cc1noc(n1)[*:1] O=C(OC[*:1])c1cnc(s1)[C@@H]1CCCO1
Cc1noc(COC(=O)c2cnc([C@@H]3CCCO3)s2)n1 C1CO[C@@H](C1)[*:1] Cc1noc(COC(=O)c2cnc(s2)[*:1])n1
COC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]1C C1CC1[*:1] COC(=O)[C@H]1CN(C[C@@H]1C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@@H]1[*:1])C(=O)[C@@H]1CC(=O)N(C1)C1CC1
CC(C)C[C@@H]1NC(=O)N(CCN2CCOCC2)C1=O C1CN(CCO1)[*:1] CC(C)C[C@@H]1NC(=O)N(CC[*:1])C1=O
CC(C)C[C@@H]1NC(=O)N(CCN2CCOCC2)C1=O CC(C)C[*:1] O=C1N[C@H](C(=O)N1CCN1CCOCC1)[*:1]
CC(C)C[C@@H]1NC(=O)N(CCN2CCOCC2)C1=O CC(C)[*:1] O=C1N[C@@H](C[*:1])C(=O)N1CCN1CCOCC1
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)CCOC)C2)c1 CCOC(=O)[*:1] COCCC(=O)N1CCC[C@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)CCOC)C2)c1 COC[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)CCOC)C2)c1 COCC[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCN(CC)c1ccc(CNS(C)(=O)=O)cn1 CCN(CC)[*:1] CS(=O)(=O)NCc1ccc(nc1)[*:1]
CCN(CC)c1ccc(CNS(C)(=O)=O)cn1 CS(=O)(=O)N[*:1] CCN(CC)c1ccc(cn1)C[*:1]
CC[C@H](NC(=O)C(=O)Nc1cccc(N(C)C(C)=O)c1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)C(=O)Nc1cccc(c1)N(C)C(C)=O)[*:1]
CC[C@H](NC(=O)C(=O)Nc1cccc(N(C)C(C)=O)c1)c1ccncc1 CC(=O)N(C)[*:1] CC[C@H](NC(=O)C(=O)Nc1cccc(c1)[*:1])c1ccncc1
O=[N+]([O-])c1c(NC2CCCCCC2)nc2sccn12 O=[N+]([O-])[*:1] c1cn2c(c(nc2s1)NC1CCCCCC1)[*:1]
CCCc1cc(=O)oc2cc(OC(=O)[C@@H](C)SC)ccc12 CCC[*:1] CS[C@H](C)C(=O)Oc1ccc2c(cc(=O)oc2c1)[*:1]
CCCc1cc(=O)oc2cc(OC(=O)[C@@H](C)SC)ccc12 CS[C@H](C)C(=O)O[*:1] CCCc1cc(=O)oc2cc(ccc12)[*:1]
C[NH2+][C@H](Cc1cccs1)Cc1nccn1C c1csc(c1)[*:1] C[NH2+][C@@H](Cc1nccn1C)C[*:1]
O=C(NCc1ccccn1)c1cccc(NC(=O)N2CCSc3ncccc32)c1 c1ccc(nc1)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)N1CCSc2ncccc21
O=C(NCc1ccccn1)c1cccc(NC(=O)N2CCSc3ncccc32)c1 c1ccc(C[*:1])nc1 O=C(N[*:1])c1cccc(c1)NC(=O)N1CCSc2ncccc21
CCO[C@@H](C)C(=O)NNc1cc(C#N)cc(Cl)n1 CCO[C@@H](C)[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)[*:1]
CCO[C@@H](C)C(=O)NNc1cc(C#N)cc(Cl)n1 CCO[*:1] C[C@@H](C(=O)NNc1cc(C#N)cc(Cl)n1)[*:1]
COc1ccc([C@H](NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)[*:1]
COc1ccc([C@H](NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)[*:1]
CCCCS(=O)(=O)NCc1cn(C)nc1C CCC[*:1] Cc1nn(C)cc1CNS(=O)(=O)C[*:1]
CCCCS(=O)(=O)NCc1cn(C)nc1C CCCC[*:1] Cc1nn(C)cc1CNS(=O)(=O)[*:1]
Cc1ccccc1OCC(=O)N[C@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] Cc1ccccc1OCC(=O)N[C@H](C)[*:1]
Cc1ccccc1OCC(=O)N[C@H](C)c1c(C)noc1C Cc1ccccc1[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)CO[*:1]
Cc1n[nH]cc1C[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1n[nH]cc1C[NH2+]CCN1CCN(CC1)C(=O)O[*:1]
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccccc1F COC(=O)[*:1] COC(=O)C1=CN(C)C=C(C1c1ccccc1F)[*:1]
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccccc1F Fc1ccccc1[*:1] COC(=O)C1=CN(C)C=C(C(=O)OC)C1[*:1]
CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccc(C(C)=O)s2)C1 CSc1ccccc1[*:1] CC(=O)c1ccc(s1)C(=O)N1CCC[C@@H](C1)C(=O)[*:1]
CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccc(C(C)=O)s2)C1 CC(=O)c1ccc(s1)[*:1] CSc1ccccc1C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccc(C(C)=O)s2)C1 CC(=O)[*:1] CSc1ccccc1C(=O)[C@H]1CCCN(C1)C(=O)c1ccc(s1)[*:1]
O=C(NNc1c(F)c(F)c(F)c(F)c1F)[C@@H]1C[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NNc1c(F)c(F)c(F)c(F)c1F)[C@@H]1C[C@@H]1[*:1]
COCCOC(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 Brc1cncc(c1)[*:1] COCCOC(=O)c1ccc(cc1)NC(=O)[*:1]
COCCOC(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 COC[*:1] O=C(Nc1ccc(cc1)C(=O)OC[*:1])c1cncc(Br)c1
COCCOC(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 COCC[*:1] O=C(Nc1ccc(cc1)C(=O)O[*:1])c1cncc(Br)c1
COCCOC(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 COCCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cncc(Br)c1
Cc1cc(=O)[nH]c(-c2ccc(N3CCC(c4ccc(F)cc4)CC3)[nH+]c2)n1 Cc1cc(=O)[nH]c(n1)[*:1] Fc1ccc(cc1)C1CCN(CC1)c1ccc(c[nH+]1)[*:1]
Cc1cc(=O)[nH]c(-c2ccc(N3CCC(c4ccc(F)cc4)CC3)[nH+]c2)n1 Fc1ccc(cc1)[*:1] Cc1cc(=O)[nH]c(n1)-c1ccc([nH+]c1)N1CCC(CC1)[*:1]
CC[C@H](C)CN(C)c1cc(Cl)c(Cl)cc1N CC[C@H](C)[*:1] CN(C[*:1])c1cc(Cl)c(Cl)cc1N
CC[C@H](C)CN(C)c1cc(Cl)c(Cl)cc1N CC[C@H](C)C[*:1] CN(c1cc(Cl)c(Cl)cc1N)[*:1]
Cc1c(C=O)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(C=O)cccc1[*:1]
CCS(=O)(=O)NCCNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C CCS(=O)(=O)N[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCC[*:1]
CCS(=O)(=O)NCCNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C CCS(=O)(=O)NC[*:1] C[C@H]1Oc2ccccc2O[C@H]1C(=O)NC[*:1]
Cc1c(C(=O)NCc2c(F)cccc2F)sc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12 Fc1cccc(F)c1[*:1] Cc1c(sc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12)C(=O)NC[*:1]
Cc1c(C(=O)NCc2c(F)cccc2F)sc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12 Fc1cccc(F)c1C[*:1] Cc1c(sc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12)C(=O)N[*:1]
CN(CCCOc1ccccc1)C(=O)[C@H]1CCC(=O)N1 c1ccc(cc1)[*:1] CN(CCCO[*:1])C(=O)[C@H]1CCC(=O)N1
Cc1cccc(NC(=O)Cc2csc(Nc3cccc(C)n3)n2)c1 Cc1cccc(c1)[*:1] Cc1cccc(n1)Nc1nc(cs1)CC(=O)N[*:1]
Cc1cccc(NC(=O)Cc2csc(Nc3cccc(C)n3)n2)c1 Cc1cccc(n1)[*:1] Cc1cccc(c1)NC(=O)Cc1csc(n1)N[*:1]
Cc1cccc(NC(=O)Cc2csc(Nc3cccc(C)n3)n2)c1 Cc1cccc(n1)N[*:1] Cc1cccc(c1)NC(=O)Cc1csc(n1)[*:1]
Cc1cc(C(=O)Nc2[nH]ncc2C(N)=S)ccc1F NC(=S)[*:1] Cc1cc(ccc1F)C(=O)Nc1[nH]ncc1[*:1]
CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)c1ccc(I)cc1 CCOC(=O)[*:1] O=C(Nc1cc(=O)n(nc1[*:1])-c1ccccc1)c1ccc(I)cc1
CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)c1ccc(I)cc1 Ic1ccc(cc1)[*:1] CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)[*:1]
CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)c1ccc(I)cc1 c1ccc(cc1)[*:1] CCOC(=O)c1nn(c(=O)cc1NC(=O)c1ccc(I)cc1)[*:1]
COC(=O)[C@@H]1C[C@H](NC(=O)[C@@H]2[NH+]=c3ccc(Cl)cc3=C2C)CN1C(C)C COC(=O)[*:1] CC1=c2cc(Cl)ccc2=[NH+][C@H]1C(=O)N[C@H]1C[C@H](N(C1)C(C)C)[*:1]
COC(=O)[C@@H]1C[C@H](NC(=O)[C@@H]2[NH+]=c3ccc(Cl)cc3=C2C)CN1C(C)C CC(C)[*:1] COC(=O)[C@@H]1C[C@@H](CN1[*:1])NC(=O)[C@@H]1[NH+]=c2ccc(Cl)cc2=C1C
COc1cccc(-c2csc(C[NH2+]C(C)C)n2)c1 CC(C)[*:1] COc1cccc(c1)-c1csc(C[NH2+][*:1])n1
Cc1ccc(C[C@@H](C)NC(=O)CSc2nc(C)n[nH]2)c(C)c1 Cc1n[nH]c(n1)[*:1] Cc1ccc(C[C@@H](C)NC(=O)CS[*:1])c(C)c1
Cc1ccc(C[C@@H](C)NC(=O)CSc2nc(C)n[nH]2)c(C)c1 Cc1n[nH]c(n1)S[*:1] Cc1ccc(C[C@@H](C)NC(=O)C[*:1])c(C)c1
CC(C)(NCN1C(=O)CC2(CCCC2)C1=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(NCN1C(=O)CC2(CCCC2)C1=O)[*:1]
COc1cc(/C=N/NC(N)=O)c(Br)cc1OC(C)=O CC(=O)O[*:1] COc1cc(/C=N/NC(N)=O)c(Br)cc1[*:1]
COc1cc(/C=N/NC(N)=O)c(Br)cc1OC(C)=O NC(=O)NN=C[*:1] COc1cc(c(Br)cc1OC(C)=O)[*:1]
CCc1cc(CNC(=O)N[C@H]2COc3c2ccc(C)c3C)on1 CCc1cc(on1)[*:1] Cc1ccc2c(OC[C@@H]2NC(=O)NC[*:1])c1C
O=C(CSc1ccccc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 Fc1ccccc1[*:1] O=C(CS[*:1])N1CCC[C@@H](C1)c1nc2ccccc2s1
O=C(CSc1ccccc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 Fc1ccccc1S[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1nc2ccccc2s1
NC(=O)c1ccc(COc2cccc(F)c2)c(N)c1 NC(=O)[*:1] Nc1cc(ccc1COc1cccc(F)c1)[*:1]
COCc1ccccc1C(=O)N[C@H](CO)C(C)C CC(C)[C@@H](CO)[*:1] COCc1ccccc1C(=O)N[*:1]
COCc1ccccc1C(=O)N[C@H](CO)C(C)C COC[*:1] CC(C)[C@@H](CO)NC(=O)c1ccccc1[*:1]
COCc1ccccc1C(=O)N[C@H](CO)C(C)C CC(C)[*:1] COCc1ccccc1C(=O)N[C@H](CO)[*:1]
CCCNc1cc[nH+]c(CSc2nccn2C)c1 CCCN[*:1] Cn1ccnc1SCc1cc(cc[nH+]1)[*:1]
CCCNc1cc[nH+]c(CSc2nccn2C)c1 CCC[*:1] Cn1ccnc1SCc1cc(cc[nH+]1)N[*:1]
CCCNc1cc[nH+]c(CSc2nccn2C)c1 Cn1ccnc1[*:1] CCCNc1cc[nH+]c(c1)CS[*:1]
CC[C@H]1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccccc2C)C1=O COc1ccc(Br)cc1[*:1] CC[C@H]1S/C(=N/N=C[*:1])N(Cc2ccccc2C)C1=O
CC[C@H]1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccccc2C)C1=O Cc1ccccc1[*:1] CC[C@H]1S/C(=N/N=C/c2cc(Br)ccc2OC)N(C[*:1])C1=O
CC[C@H]1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccccc2C)C1=O Cc1ccccc1C[*:1] CC[C@H]1S/C(=N/N=C/c2cc(Br)ccc2OC)N(C1=O)[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)CCCc2cc(C)sc2C)c1 CCC(=O)N[*:1] Cc1cc(CCCC(=O)Nc2cc(ccc2C)[*:1])c(C)s1
CCC(=O)Nc1ccc(C)c(NC(=O)CCCc2cc(C)sc2C)c1 Cc1cc(C[*:1])c(C)s1 CCC(=O)Nc1ccc(C)c(c1)NC(=O)CC[*:1]
CCC(=O)Nc1ccc(C)c(NC(=O)CCCc2cc(C)sc2C)c1 Cc1cc(c(C)s1)[*:1] CCC(=O)Nc1ccc(C)c(c1)NC(=O)CCC[*:1]
COC(=O)[C@]1(F)C(=O)NC(=O)N[C@@H]1OC COC(=O)[*:1] CO[C@H]1NC(=O)NC(=O)[C@]1(F)[*:1]
CC(C)c1nnc(N[C@@H](CCO)c2cccs2)s1 OCC[*:1] CC(C)c1nnc(N[C@@H](c2cccs2)[*:1])s1
CC(C)c1nnc(N[C@@H](CCO)c2cccs2)s1 c1csc(c1)[*:1] CC(C)c1nnc(N[C@@H](CCO)[*:1])s1
CC(C)c1nnc(N[C@@H](CCO)c2cccs2)s1 CC(C)[*:1] OCC[C@H](Nc1nnc(s1)[*:1])c1cccs1
C[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccc(=O)n(C[*:1])n1)[C@@H]1CCCO1
C[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)[C@@H]1CCCO1 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)c1ccc(=O)n(n1)[*:1])[C@@H]1CCCO1
C[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)[*:1]
CCSC1(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CCOCC1 CCS[*:1] O=C(NCC1(CCOCC1)[*:1])[C@H]1C[C@H]1c1c(F)cccc1F
CCSC1(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CCOCC1 Fc1cccc(F)c1[*:1] CCSC1(CCOCC1)CNC(=O)[C@H]1C[C@@H]1[*:1]
CC(C)[NH+]1CCN(C(=O)c2cc(F)ccc2Br)CC1 CC(C)[*:1] O=C(c1cc(F)ccc1Br)N1CC[NH+](CC1)[*:1]
CSC(C)(C)CNC(=O)CCn1ccc2ccccc21 CSC(C)(C)[*:1] O=C(CCn1ccc2ccccc21)NC[*:1]
CSC(C)(C)CNC(=O)CCn1ccc2ccccc21 CSC(C)(C)C[*:1] O=C(CCn1ccc2ccccc21)N[*:1]
C[NH2+][C@H](COC)[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] C[NH2+][C@H](COC)[C@@H]1CN(CCO1)[*:1]
C[NH2+][C@H](COC)[C@@H]1CN(C(C)C)CCO1 COC[*:1] C[NH2+][C@H]([C@@H]1CN(CCO1)C(C)C)[*:1]
CC[C@@H](C)Oc1cccc(NC(=O)c2cnc3nc([O-])[nH]c(=O)c3c2)c1 CC[C@@H](C)O[*:1] O=C(Nc1cccc(c1)[*:1])c1cnc2nc([O-])[nH]c(=O)c2c1
CC[C@@H](C)Oc1cccc(NC(=O)c2cnc3nc([O-])[nH]c(=O)c3c2)c1 CC[C@@H](C)[*:1] O=C(Nc1cccc(c1)O[*:1])c1cnc2nc([O-])[nH]c(=O)c2c1
CCN(C(=O)c1ccc(-n2cnc3ccccc32)nc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCN(C(=O)c1ccc(nc1)-n1cnc2ccccc21)[*:1]
CCN(C(=O)c1ccc(-n2cnc3ccccc32)nc1)c1cccc(F)c1 c1ccc2c(c1)ncn2[*:1] CCN(C(=O)c1ccc(nc1)[*:1])c1cccc(F)c1
COc1cc(/C=N\Nc2nnc(C)n2N)c(OC)cc1Br Cc1nnc(n1N)[*:1] COc1cc(/C=N\N[*:1])c(cc1Br)OC
O=C(NCCc1ccccn1)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(NCCc1ccccn1)N[C@H](CO)[*:1]
O=C(NCCc1ccccn1)N[C@H](CO)c1ccco1 c1ccc(nc1)[*:1] O=C(NCC[*:1])N[C@H](CO)c1ccco1
O=C1N[C@H](c2ccc(-c3ccccc3F)s2)N2CCOC[C@H]12 Fc1ccccc1[*:1] O=C1N[C@H](c2ccc(s2)[*:1])N2CCOC[C@H]12
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(Cl)c1Cl c1cnc(nc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1cccc(Cl)c1Cl
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)[*:1]
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[NH+](C)CCC(=O)Nc1ccc(cc1)NC(=O)c1cc(F)c(F)cc1[*:1]
CC(C)n1cc2cc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)ccc2n1 CC(C)[*:1] C[NH+](C)[C@@H]1CCC[C@H](C1)NC(=O)C(=O)Nc1ccc2nn(cc2c1)[*:1]
COC[C@@H](C)NC(=O)N[C@H](CO)c1ccco1 COC[*:1] C[C@@H](NC(=O)N[C@H](CO)c1ccco1)[*:1]
COC[C@@H](C)NC(=O)N[C@H](CO)c1ccco1 c1coc(c1)[*:1] COC[C@@H](C)NC(=O)N[C@H](CO)[*:1]
COC[C@@H](C)NC(=O)N[C@H](CO)c1ccco1 COC[C@@H](C)[*:1] O=C(N[C@H](CO)c1ccco1)N[*:1]
O=c1c2cnc3ncnn3c2ccn1CCCO OCCC[*:1] O=c1c2cnc3ncnn3c2ccn1[*:1]
O=c1c2cnc3ncnn3c2ccn1CCCO OCC[*:1] O=c1c2cnc3ncnn3c2ccn1C[*:1]
CCc1[nH+]ccn1CC(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 NC(=O)[*:1] CCc1[nH+]ccn1CC(=O)N1CC[C@@H](Cc2cccc(c2)[*:1])C1
Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)c2cccc(-n3cnnn3)c2)cn1 Cn1cc(cn1)[*:1] O=C(C[C@H]1CCCN1S(=O)(=O)c1cccc(c1)-n1cnnn1)[*:1]
Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)c2cccc(-n3cnnn3)c2)cn1 Cn1cc(cn1)C(=O)C[*:1] O=S(=O)(c1cccc(c1)-n1cnnn1)N1CCC[C@@H]1[*:1]
Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)c2cccc(-n3cnnn3)c2)cn1 Cn1cc(cn1)C(=O)[*:1] O=S(=O)(c1cccc(c1)-n1cnnn1)N1CCC[C@@H]1C[*:1]
Cn1cc(C(=O)C[C@H]2CCCN2S(=O)(=O)c2cccc(-n3cnnn3)c2)cn1 c1nnnn1[*:1] Cn1cc(cn1)C(=O)C[C@H]1CCCN1S(=O)(=O)c1cccc(c1)[*:1]
CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3)C2=O)cc1 c1ccc(cc1)CC[*:1] CCOc1ccc(cc1)N1C(=O)C[C@@H]([NH2+][*:1])C1=O
CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3)C2=O)cc1 CCO[*:1] O=C1C[C@@H]([NH2+]CCc2ccccc2)C(=O)N1c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)C[C@@H]([NH2+]CC[*:1])C1=O
CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3)C2=O)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)N1C(=O)C[C@@H]([NH2+]C[*:1])C1=O
Cc1cccn2cc(-c3ccc(NC(=O)C4CCN(C5=NS(=O)(=O)c6ccccc65)CC4)cc3)nc12 Cc1cccn2cc(nc12)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)C1=NS(=O)(=O)c2ccccc21
CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cc(OC)cc(OC)c1 CCCC[*:1] COc1cc(cc(c1)OC)NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2[*:1]
CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cc(OC)cc(OC)c1 COc1cc(cc(c1)[*:1])OC CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)N[*:1]
CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cc(OC)cc(OC)c1 CCC[*:1] COc1cc(cc(c1)OC)NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C[*:1]
Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc2nsnc2c1 O=c1oc2ccccc2cc1[*:1] Cc1ccc(cc1NC(=S)NC(=O)c1ccc2nsnc2c1)[*:1]
Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc2nsnc2c1 c1cc2nsnc2cc1[*:1] Cc1ccc(cc1NC(=S)NC(=O)[*:1])-c1cc2ccccc2oc1=O
C[C@H](CC#N)N(C)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 C1CC(CCO1)[*:1] C[C@H](CC#N)N(C)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
C[C@H](CC#N)N(C)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 N#CC[*:1] C[C@H](N(C)C(=O)Nc1ccc(cc1)C(=O)NC1CCOCC1)[*:1]
O=C(CCC(=O)c1cccs1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 O=C(c1cccs1)[*:1] O=C(CC[*:1])Nc1ccc(nc1)Oc1ccc(Cl)cc1
O=C(CCC(=O)c1cccs1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 Clc1ccc(cc1)[*:1] O=C(CCC(=O)c1cccs1)Nc1ccc(nc1)O[*:1]
O=C(CCC(=O)c1cccs1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 O=C(C[*:1])c1cccs1 O=C(C[*:1])Nc1ccc(nc1)Oc1ccc(Cl)cc1
O=C(CCC(=O)c1cccs1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 c1csc(c1)[*:1] O=C(CCC(=O)[*:1])Nc1ccc(nc1)Oc1ccc(Cl)cc1
O=C(CCC(=O)c1cccs1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 Clc1ccc(cc1)O[*:1] O=C(CCC(=O)c1cccs1)Nc1ccc(nc1)[*:1]
CCOc1ccc(Br)cc1C[NH2+][C@H](CC)CO CCO[*:1] CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1[*:1]
O=C(Cn1nc(-c2cccs2)ccc1=O)N[C@H](Cc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)-c1cccs1)N[C@H](C[*:1])C(=O)[O-]
O=C(Cn1nc(-c2cccs2)ccc1=O)N[C@H](Cc1ccccc1)C(=O)[O-] c1ccc(cc1)C[*:1] O=C(Cn1nc(ccc1=O)-c1cccs1)N[C@H](C(=O)[O-])[*:1]
O=C(Cn1nc(-c2cccs2)ccc1=O)N[C@H](Cc1ccccc1)C(=O)[O-] c1csc(c1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])N[C@H](Cc1ccccc1)C(=O)[O-]
O=C(Cn1nc(-c2cccs2)ccc1=O)N[C@H](Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] O=C(Cn1nc(ccc1=O)-c1cccs1)N[C@H](Cc1ccccc1)[*:1]
C[C@@H]1C[C@H]1NC(=O)NCc1cccnc1OCC(F)(F)F FC(F)(F)[*:1] C[C@@H]1C[C@H]1NC(=O)NCc1cccnc1OC[*:1]
C[C@@H]1C[C@H]1NC(=O)NCc1cccnc1OCC(F)(F)F FC(F)(F)CO[*:1] C[C@@H]1C[C@H]1NC(=O)NCc1cccnc1[*:1]
C[C@@H]1C[C@H]1NC(=O)NCc1cccnc1OCC(F)(F)F FC(F)(F)C[*:1] C[C@@H]1C[C@H]1NC(=O)NCc1cccnc1O[*:1]
Cc1cnc(CCN(C)C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)s1 Cc1cnc(CC[*:1])s1 CN(C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
Cc1cnc(CCN(C)C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)s1 C1CCC(C1)[*:1] Cc1cnc(CCN(C)C(=O)N[C@@H]2CCCC[C@@H]2O[*:1])s1
Cc1cnc(CCN(C)C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)s1 C1CCC(C1)O[*:1] Cc1cnc(CCN(C)C(=O)N[C@@H]2CCCC[C@H]2[*:1])s1
Cc1cnc(CCN(C)C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)s1 Cc1cnc(C[*:1])s1 CN(C[*:1])C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1
Cc1cnc(CCN(C)C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)s1 Cc1cnc(s1)[*:1] CN(CC[*:1])C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1
COc1ncc(C(=O)N2CCC[C@H]2c2nc(C(C)C)cc(=O)[nH]2)cn1 COc1ncc(cn1)[*:1] CC(C)c1cc(=O)[nH]c(n1)[C@@H]1CCCN1C(=O)[*:1]
COc1ncc(C(=O)N2CCC[C@H]2c2nc(C(C)C)cc(=O)[nH]2)cn1 CC(C)[*:1] COc1ncc(cn1)C(=O)N1CCC[C@H]1c1nc(cc(=O)[nH]1)[*:1]
CC[C@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)[*:1]
Cc1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)sc1Br C1C[C@H](CO1)[*:1] Cc1cc(CN2CC[NH+](CC2)C[*:1])sc1Br
COc1ccc(C2(C[NH+]3CCC(NC(=O)c4cc[nH]n4)CC3)CC2)cc1 c1cc(n[nH]1)[*:1] COc1ccc(cc1)C1(CC1)C[NH+]1CCC(CC1)NC(=O)[*:1]
COc1ccc(C2(C[NH+]3CCC(NC(=O)c4cc[nH]n4)CC3)CC2)cc1 O=C(N[*:1])c1cc[nH]n1 COc1ccc(cc1)C1(CC1)C[NH+]1CCC(CC1)[*:1]
COc1ccc(C2(C[NH+]3CCC(NC(=O)c4cc[nH]n4)CC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)CC1(CC1)[*:1])c1cc[nH]n1
COc1ccc2c(C)c(C(=O)N3CCN(c4ccccc4F)CC3)oc2c1 Fc1ccccc1[*:1] COc1ccc2c(C)c(oc2c1)C(=O)N1CCN(CC1)[*:1]
O=C(N1CCC[C@H]1C[C@H](O)c1ccccc1)C1(O)Cc2ccccc2C1 c1ccc(cc1)[*:1] O=C(N1CCC[C@H]1C[C@H](O)[*:1])C1(O)Cc2ccccc2C1
O=C(N1CCC[C@H]1C[C@H](O)c1ccccc1)C1(O)Cc2ccccc2C1 O[C@H](c1ccccc1)[*:1] O=C(N1CCC[C@H]1C[*:1])C1(O)Cc2ccccc2C1
Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)nc2c1 c1cncc(c1)[*:1] Cc1cc(C)c2sc(nc2c1)N(C[*:1])C(=O)[C@@H]1Oc2ccccc2O[C@H]1C
Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)nc2c1 c1cncc(c1)C[*:1] Cc1cc(C)c2sc(nc2c1)N(C(=O)[C@@H]1Oc2ccccc2O[C@H]1C)[*:1]
C[C@@H](Sc1ccccc1)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 c1ccc(cc1)S[*:1] C[C@@H](C(=O)NCc1cccc(c1)NC(=O)C1CCC1)[*:1]
C[C@@H](Sc1ccccc1)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 C1CC(C1)[*:1] C[C@@H](Sc1ccccc1)C(=O)NCc1cccc(c1)NC(=O)[*:1]
C[C@@H](Sc1ccccc1)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 c1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)NCc1cccc(c1)NC(=O)C1CCC1
C[C@@H](Sc1ccccc1)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 O=C(N[*:1])C1CCC1 C[C@@H](Sc1ccccc1)C(=O)NCc1cccc(c1)[*:1]
[NH3+][C@H]1CCCCC[C@H]1C(=O)N1CCCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H]1CCCCC[C@H]1C(=O)N1CCCC[C@H]1[*:1]
Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 Cc1ccc(cc1)S[*:1] N#CC1=C(N)Oc2n[nH]c(C[*:1])c2[C@H]1c1ccc(F)cc1
Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 Cc1ccc(cc1)[*:1] N#CC1=C(N)Oc2n[nH]c(CS[*:1])c2[C@H]1c1ccc(F)cc1
Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 Cc1ccc(cc1)SC[*:1] N#CC1=C(N)Oc2n[nH]c(c2[C@H]1c1ccc(F)cc1)[*:1]
Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)SCc1[nH]nc2OC(N)=C(C#N)[C@H](c21)[*:1]
CCC(=O)N1CCC[C@H]1c1nc(C)cc(Nc2ncccn2)n1 c1cnc(nc1)[*:1] CCC(=O)N1CCC[C@H]1c1nc(C)cc(n1)N[*:1]
CCC(=O)N1CCC[C@H]1c1nc(C)cc(Nc2ncccn2)n1 c1cnc(nc1)N[*:1] CCC(=O)N1CCC[C@H]1c1nc(C)cc(n1)[*:1]
Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)cc1F c1ccc(cc1)[*:1] Cc1ccc(cc1F)NC(=O)Cn1ccn2nc(cc2c1=O)[*:1]
Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)cc1F Cc1ccc(cc1F)[*:1] O=C(Cn1ccn2nc(cc2c1=O)-c1ccccc1)N[*:1]
O=C(Cc1ccc(F)cc1F)Nc1cccnc1 c1cncc(c1)[*:1] O=C(Cc1ccc(F)cc1F)N[*:1]
Cc1c(C(=O)N2CCC[C@@H]2CN2CCOCC2)cnn1-c1ccccc1F C1CN(CCO1)C[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)N1CCC[C@H]1[*:1]
Cc1c(C(=O)N2CCC[C@@H]2CN2CCOCC2)cnn1-c1ccccc1F Fc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC[C@@H]1CN1CCOCC1
Cc1c(C(=O)N2CCC[C@@H]2CN2CCOCC2)cnn1-c1ccccc1F C1CN(CCO1)[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)N1CCC[C@@H]1C[*:1]
CCOc1ccc2nc(N(Cc3ccccn3)C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)sc2c1 c1ccc(cc1)[*:1] CCOc1ccc2nc(sc2c1)N(Cc1ccccn1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CCOc1ccc2nc(N(Cc3ccccn3)C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)sc2c1 CCO[*:1] O=C1C[C@@H](CN1c1ccccc1)C(=O)N(Cc1ccccn1)c1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(N(Cc3ccccn3)C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)sc2c1 c1ccc(C[*:1])nc1 CCOc1ccc2nc(sc2c1)N(C(=O)[C@H]1CC(=O)N(C1)c1ccccc1)[*:1]
CCOc1ccc2nc(N(Cc3ccccn3)C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)sc2c1 c1ccc(nc1)[*:1] CCOc1ccc2nc(sc2c1)N(C[*:1])C(=O)[C@H]1CC(=O)N(C1)c1ccccc1
O=C(C1CC1)N1CCC(C(=O)N2CCOc3ccc(CO)cc3C2)CC1 C1CC1[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCOc2ccc(cc2C1)CO
C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)C1CCC1 C[C@@H](C1CCC1)[*:1] C[NH+](C)Cc1ccc(cc1F)C[NH2+][*:1]
C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)C1CCC1 C1CC(C1)[*:1] C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)[*:1]
C[C@H]1C[C@@H](C)CN(C(=O)CS(=O)(=O)c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CS(=O)(=O)[*:1]
C[C@@H]1CN(S(=O)(=O)CC2CCC2)C[C@@H](C(N)=O)O1 C1CC(C1)[*:1] C[C@@H]1CN(C[C@H](O1)C(N)=O)S(=O)(=O)C[*:1]
C[C@@H]1CN(S(=O)(=O)CC2CCC2)C[C@@H](C(N)=O)O1 NC(=O)[*:1] C[C@@H]1CN(C[C@@H](O1)[*:1])S(=O)(=O)CC1CCC1
C[C@@H]1CN(S(=O)(=O)CC2CCC2)C[C@@H](C(N)=O)O1 C1CC(C1)C[*:1] C[C@@H]1CN(C[C@H](O1)C(N)=O)S(=O)(=O)[*:1]
OC[C@H]1CC(c2cncn2C2CC2)=NO1 C1CC1[*:1] OC[C@H]1CC(=NO1)c1cncn1[*:1]
C=C(C)[C@@H](NC)c1[nH+]ccc2ccccc12 C=C(C)[*:1] CN[C@@H](c1[nH+]ccc2ccccc12)[*:1]
O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)c1ccco1 c1coc(c1)[*:1] O=C(CCNC(=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)c1ccco1 O=C(N[*:1])c1ccco1 O=C(CC[*:1])N1CCN(CC1)c1ccccc1
O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)c1ccco1 c1ccc(cc1)[*:1] O=C(NCCC(=O)N1CCN(CC1)[*:1])c1ccco1
CC[C@H](C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1)c1ccccc1 Fc1ccc(cc1)[*:1] CC[C@H](C(=O)N1Cc2cnn(C[*:1])c2C1)c1ccccc1
CC[C@H](C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1)c1ccccc1 CC[C@H](c1ccccc1)[*:1] O=C(N1Cc2cnn(Cc3ccc(F)cc3)c2C1)[*:1]
CC[C@H](C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1)c1ccccc1 Fc1ccc(cc1)C[*:1] CC[C@H](C(=O)N1Cc2cnn(c2C1)[*:1])c1ccccc1
CC[C@H](C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1)[*:1]
CCN(Cc1ccccn1)c1cc(C(C)=O)ccn1 c1ccc(nc1)[*:1] CCN(C[*:1])c1cc(ccn1)C(C)=O
CCN(Cc1ccccn1)c1cc(C(C)=O)ccn1 CC(=O)[*:1] CCN(Cc1ccccn1)c1cc(ccn1)[*:1]
CCc1ccc(O[C@@H]2CCC[C@@]([NH2+]C)(C(N)=O)C2)cc1 NC(=O)[*:1] CCc1ccc(cc1)O[C@@H]1CCC[C@](C1)([NH2+]C)[*:1]
O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1ccc(Br)cc1)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
O=C(c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 Brc1ccc(cc1)[*:1] O=C([C@@H]1C[C@@H]1c1cccs1)N1CCN(CC1)C(=O)[*:1]
CCC1(CC)Cc2ccccc2-c2[nH]c(=O)n(-c3ccccc3OC)c(=O)c21 COc1ccccc1[*:1] CCC1(CC)Cc2ccccc2-c2[nH]c(=O)n(c(=O)c21)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(-n2ccnc2)nc1 CC(C)(C)[*:1] C[C@@H](NC(=O)[*:1])C(=O)NCc1ccc(nc1)-n1ccnc1
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(nc1)[*:1]
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(-n2ccnc2)nc1 CC(C)(C)C(=O)N[*:1] C[C@@H](C(=O)NCc1ccc(nc1)-n1ccnc1)[*:1]
Cc1ncsc1C(=O)NNC(=O)N[C@@H]1CCCc2ccc(F)cc21 Cc1ncsc1[*:1] O=C(NNC(=O)[*:1])N[C@@H]1CCCc2ccc(F)cc21
Cc1ccoc1CN1CCNC(=O)[C@H]1c1ccccc1 Cc1ccoc1[*:1] O=C1NCCN(C[*:1])[C@@H]1c1ccccc1
Cc1ccoc1CN1CCNC(=O)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1ccoc1CN1CCNC(=O)[C@@H]1[*:1]
C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)c1ccsc1 c1ccc(cc1)C[*:1] C[C@@H](O[*:1])C(=O)NC[C@H](C)c1ccsc1
C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)[*:1]
C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)c1ccsc1 c1ccc(cc1)[*:1] C[C@@H](OC[*:1])C(=O)NC[C@H](C)c1ccsc1
C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)c1ccsc1 C[C@H](c1ccsc1)[*:1] C[C@@H](OCc1ccccc1)C(=O)NC[*:1]
C#CCOC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 C#CCOC(=O)[*:1] O=C(c1cccc(Cl)c1)N1[C@H]2CCCC[C@H]2C[C@@H]1[*:1]
C#CCOC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 C#CC[*:1] O=C(O[*:1])[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1
C#CCOC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C#CCOC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[*:1]
O=S(=O)(NCCc1c[nH]cn1)c1ccc2ccccc2c1 c1nc(c[nH]1)[*:1] O=S(=O)(NCC[*:1])c1ccc2ccccc2c1
O=S(=O)(NCCc1c[nH]cn1)c1ccc2ccccc2c1 c1nc(c[nH]1)C[*:1] O=S(=O)(NC[*:1])c1ccc2ccccc2c1
O=S(=O)(NCCc1c[nH]cn1)c1ccc2ccccc2c1 c1nc(c[nH]1)CC[*:1] O=S(=O)(N[*:1])c1ccc2ccccc2c1
CN(Cc1cnn(C)c1)C(=O)c1cc(N)nn1C Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)c1cc(N)nn1C
CC[NH+]1CCN(Cc2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C)CC1 Clc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)Cc1nc2cc(ccc2n1C)NC(=O)[*:1]
CC[C@H](CC1CC1)n1c([C@@H](C)Cl)nc2c(C)nn(CC)c21 C[C@@H](Cl)[*:1] CC[C@H](CC1CC1)n1c(nc2c(C)nn(CC)c21)[*:1]
CC[C@H](CC1CC1)n1c([C@@H](C)Cl)nc2c(C)nn(CC)c21 C1CC1C[*:1] CC[C@H](n1c(nc2c(C)nn(CC)c21)[C@@H](C)Cl)[*:1]
CC[C@H](CC1CC1)n1c([C@@H](C)Cl)nc2c(C)nn(CC)c21 C1CC1[*:1] CC[C@H](C[*:1])n1c(nc2c(C)nn(CC)c21)[C@@H](C)Cl
CC[C@H](CC1CC1)n1c([C@@H](C)Cl)nc2c(C)nn(CC)c21 CC[C@H](CC1CC1)[*:1] CCn1nc(C)c2nc([C@@H](C)Cl)n(c21)[*:1]
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)[C@@H]2c1ccc([N+](=O)[O-])s1 NC(=O)[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C([C@@H]2c1ccc(s1)[N+](=O)[O-])[*:1]
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)[C@@H]2c1ccc([N+](=O)[O-])s1 O=[N+]([O-])c1ccc(s1)[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)[C@H]2[*:1]
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)[C@@H]2c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)[C@@H]2c1ccc(s1)[*:1]
CCC(C)(C)n1nnnc1[C@H](c1ccc(O)c(OC)c1)N1CCN(c2nc3ccccc3s2)CC1 COc1cc(ccc1O)[*:1] CCC(C)(C)n1nnnc1[C@H](N1CCN(CC1)c1nc2ccccc2s1)[*:1]
CCC(C)(C)n1nnnc1[C@H](c1ccc(O)c(OC)c1)N1CCN(c2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] CCC(C)(C)n1nnnc1[C@H](c1ccc(O)c(c1)OC)N1CCN(CC1)[*:1]
CCC(C)(C)n1nnnc1[C@H](c1ccc(O)c(OC)c1)N1CCN(c2nc3ccccc3s2)CC1 CCC(C)(C)[*:1] COc1cc(ccc1O)[C@@H](c1nnnn1[*:1])N1CCN(CC1)c1nc2ccccc2s1
CCC[C@](C)(CC(F)(F)F)C(=O)[O-] O=C([O-])[*:1] CCC[C@](C)(CC(F)(F)F)[*:1]
CCC[C@](C)(CC(F)(F)F)C(=O)[O-] FC(F)(F)[*:1] CCC[C@](C)(C[*:1])C(=O)[O-]
CCC[C@](C)(CC(F)(F)F)C(=O)[O-] CCC[*:1] C[C@](CC(F)(F)F)(C(=O)[O-])[*:1]
C[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CCC3)C(=O)NC1(C#N)CCCCC1 N#CC1(CCCCC1)[*:1] C[C@@H](Sc1nc2sc3CCCc3c2c(=O)n1C)C(=O)N[*:1]
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 C=C(C)C[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)C(=O)Nc1cccc(c1)O[*:1]
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 C=C(C)CO[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 C=C(C)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)C(=O)Nc1cccc(c1)OC[*:1]
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 Cc1ccc(cc1F)[*:1] C=C(C)COc1cccc(c1)NC(=O)C(=O)N[C@@H](C)[*:1]
CC[C@@H](NC(=O)[C@H](C)c1ccc(OC)cc1)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)[C@H](C)c1ccc(cc1)OC)[*:1]
Cc1cc(C)c(CS(=O)(=O)Cc2nc(-c3cccc(Cl)c3)no2)c(C)c1 Clc1cccc(c1)[*:1] Cc1cc(C)c(CS(=O)(=O)Cc2nc(no2)[*:1])c(C)c1
COc1cccc(NC(=O)c2noc3c2CSc2ccccc2-3)c1 COc1cccc(c1)[*:1] O=C(N[*:1])c1noc2-c3ccccc3SCc12
CC(C)C[C@@H](C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1)N1CCCCC1=O CC(C)C(=O)N[*:1] CC(C)C[C@@H](C(=O)N1CCC[C@@H](C1)[*:1])N1CCCCC1=O
CC(C)C[C@@H](C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1)N1CCCCC1=O CC(C)[*:1] CC(C)C[C@@H](C(=O)N1CCC[C@H](C1)NC(=O)[*:1])N1CCCCC1=O
CC(C)C[C@@H](C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1)N1CCCCC1=O CC(C)C[*:1] CC(C)C(=O)N[C@@H]1CCCN(C1)C(=O)[C@@H](N1CCCCC1=O)[*:1]
CC(C)C[C@@H](C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1)N1CCCCC1=O CC(C)[*:1] CC(C)C(=O)N[C@@H]1CCCN(C1)C(=O)[C@H](C[*:1])N1CCCCC1=O
CC(C)C[C@@H](C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@@H](C(=O)N1CCC[C@H](C1)NC(=O)C(C)C)[*:1]
CC(=O)N[C@H](C(=O)Oc1ccc(Oc2nccs2)cc1)C1CCCC1 c1csc(n1)[*:1] CC(=O)N[C@H](C(=O)Oc1ccc(cc1)O[*:1])C1CCCC1
CC(=O)N[C@H](C(=O)Oc1ccc(Oc2nccs2)cc1)C1CCCC1 c1csc(n1)O[*:1] CC(=O)N[C@H](C(=O)Oc1ccc(cc1)[*:1])C1CCCC1
CC(=O)N[C@H](C(=O)Oc1ccc(Oc2nccs2)cc1)C1CCCC1 C1CCC(C1)[*:1] CC(=O)N[C@H](C(=O)Oc1ccc(cc1)Oc1nccs1)[*:1]
CC(=O)N[C@H](C(=O)Oc1ccc(Oc2nccs2)cc1)C1CCCC1 CC(=O)N[*:1] O=C(Oc1ccc(cc1)Oc1nccs1)[C@H](C1CCCC1)[*:1]
O=C1N[C@]2(COC3(CCN(C(=O)CCn4cccn4)CC3)C2)Nc2ccccc21 c1cnn(c1)C[*:1] O=C1N[C@]2(COC3(CCN(CC3)C(=O)C[*:1])C2)Nc2ccccc21
O=C1N[C@]2(COC3(CCN(C(=O)CCn4cccn4)CC3)C2)Nc2ccccc21 c1cnn(c1)CC[*:1] O=C1N[C@]2(COC3(CCN(CC3)C(=O)[*:1])C2)Nc2ccccc21
O=C1N[C@]2(COC3(CCN(C(=O)CCn4cccn4)CC3)C2)Nc2ccccc21 c1cnn(c1)[*:1] O=C1N[C@]2(COC3(CCN(CC3)C(=O)CC[*:1])C2)Nc2ccccc21
CCCc1nnc(NC(=O)c2cccc(C(=O)/N=C3\N=N[C@H](CCC)S3)n2)s1 CCC[*:1] CCCc1nnc(NC(=O)c2cccc(n2)C(=O)/N=C2\N=N[C@H](S2)[*:1])s1
CCCc1nnc(NC(=O)c2cccc(C(=O)/N=C3\N=N[C@H](CCC)S3)n2)s1 CCCc1nnc(s1)[*:1] CCC[C@H]1N=N/C(=N\C(=O)c2cccc(n2)C(=O)N[*:1])S1
CCCc1nnc(NC(=O)c2cccc(C(=O)/N=C3\N=N[C@H](CCC)S3)n2)s1 CCC[*:1] CCC[C@H]1N=N/C(=N\C(=O)c2cccc(n2)C(=O)Nc2nnc(s2)[*:1])S1
Cc1ccc(-c2noc(CNC(=O)COc3ccccc3C)n2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)-c1noc(CNC(=O)CO[*:1])n1
Cc1ccc(-c2noc(CNC(=O)COc3ccccc3C)n2)cc1 Cc1ccccc1O[*:1] Cc1ccc(cc1)-c1noc(CNC(=O)C[*:1])n1
Cc1ccc(-c2noc(CNC(=O)COc3ccccc3C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1OCC(=O)NCc1nc(no1)[*:1]
C[NH+](Cc1ccccc1NC(=O)Cc1cccs1)C1CCCCC1 c1csc(c1)C[*:1] C[NH+](Cc1ccccc1NC(=O)[*:1])C1CCCCC1
C[NH+](Cc1ccccc1NC(=O)Cc1cccs1)C1CCCCC1 c1csc(c1)[*:1] C[NH+](Cc1ccccc1NC(=O)C[*:1])C1CCCCC1
Clc1ccc(-c2ocnc2C[NH2+]C2CC2)c(Cl)c1 C1CC1[*:1] Clc1ccc(c(Cl)c1)-c1ocnc1C[NH2+][*:1]
COc1cc2ncn(CCCC(=O)Nc3ccc(C)c(Br)c3)c(=O)c2cc1OC Cc1ccc(cc1Br)[*:1] COc1cc2ncn(CCCC(=O)N[*:1])c(=O)c2cc1OC
CCc1ccc(NC(=O)C2(C)CC2)cc1CC CC1(CC1)[*:1] CCc1ccc(cc1CC)NC(=O)[*:1]
O=C(OC[C@H]1CN(Cc2ccccc2)CCO1)c1ccncc1Cl c1ccc(cc1)[*:1] O=C(OC[C@H]1CN(CCO1)C[*:1])c1ccncc1Cl
O=C(OC[C@H]1CN(Cc2ccccc2)CCO1)c1ccncc1Cl c1ccc(cc1)C[*:1] O=C(OC[C@H]1CN(CCO1)[*:1])c1ccncc1Cl
O=C(OC[C@H]1CN(Cc2ccccc2)CCO1)c1ccncc1Cl Clc1cnccc1[*:1] O=C(OC[C@H]1CN(CCO1)Cc1ccccc1)[*:1]
CNC(=O)[C@H](NC(=O)CN1CCc2cc(F)ccc2C1)c1ccccc1 CNC(=O)[*:1] O=C(CN1CCc2cc(F)ccc2C1)N[C@H](c1ccccc1)[*:1]
CNC(=O)[C@H](NC(=O)CN1CCc2cc(F)ccc2C1)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)[C@H](NC(=O)CN1CCc2cc(F)ccc2C1)[*:1]
CCn1ncc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)C2=O)c1C CCn1ncc(c1C)[*:1] C[C@@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)C(=C[*:1])C[C@H]12
COc1ccc(F)cc1-c1csc(NC(=O)c2cc3c(F)cccc3n2C)n1 COc1ccc(F)cc1[*:1] Cn1c(cc2c(F)cccc21)C(=O)Nc1nc(cs1)[*:1]
C[C@@H](CC(=O)c1cccc(F)c1)C(=O)OCc1nccn1C Fc1cccc(c1)[*:1] C[C@@H](CC(=O)[*:1])C(=O)OCc1nccn1C
C[C@@H](CC(=O)c1cccc(F)c1)C(=O)OCc1nccn1C Cn1ccnc1C[*:1] C[C@@H](CC(=O)c1cccc(F)c1)C(=O)O[*:1]
C[C@@H](CC(=O)c1cccc(F)c1)C(=O)OCc1nccn1C Cn1ccnc1[*:1] C[C@@H](CC(=O)c1cccc(F)c1)C(=O)OC[*:1]
C[C@H](CC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)C1CC1 Fc1ccc(cc1)[*:1] C[C@H](CC(=O)N1CC[C@@H](C1)NC(=O)N[*:1])C1CC1
C[C@H](CC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)C1CC1 C[C@H](C1CC1)[*:1] O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C1)C(=O)C[*:1]
C[C@H](CC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)C1CC1 C[C@H](C[*:1])C1CC1 O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C1)C(=O)[*:1]
C[C@H](CC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)C1CC1 C1CC1[*:1] C[C@H](CC(=O)N1CC[C@@H](C1)NC(=O)Nc1ccc(F)cc1)[*:1]
CCOC[C@@H]1CCN(C(=O)N[C@H](CC)c2ccc(C)cc2)C1 Cc1ccc(cc1)[*:1] CCOC[C@@H]1CCN(C1)C(=O)N[C@H](CC)[*:1]
CCOC[C@@H]1CCN(C(=O)N[C@H](CC)c2ccc(C)cc2)C1 CCOC[*:1] CC[C@@H](NC(=O)N1CC[C@H](C1)[*:1])c1ccc(C)cc1
CCOC[C@@H]1CCN(C(=O)N[C@H](CC)c2ccc(C)cc2)C1 CCO[*:1] CC[C@@H](NC(=O)N1CC[C@H](C1)C[*:1])c1ccc(C)cc1
Cn1c(N)c(C(=O)COc2cccc(F)c2)c(=O)n(C)c1=O Fc1cccc(c1)[*:1] Cn1c(N)c(C(=O)CO[*:1])c(=O)n(C)c1=O
COCCN(C)C(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O COCC[*:1] CN(C(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)[*:1]
COCCN(C)C(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O COC[*:1] CN(C[*:1])C(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O
Cc1ccc(N[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](N[*:1])C(=O)N1CCN(CC1)c1ccccc1
Cc1ccc(N[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N[C@@H](C)C(=O)N1CCN(CC1)[*:1]
CC(=O)Nc1sc2ccccc2c1Br CC(=O)N[*:1] Brc1c(sc2ccccc12)[*:1]
O=C(NCCC(F)(F)F)N1CCc2sccc2C1 FC(F)(F)CC[*:1] O=C(N[*:1])N1CCc2sccc2C1
O=C(NCCC(F)(F)F)N1CCc2sccc2C1 FC(F)(F)C[*:1] O=C(NC[*:1])N1CCc2sccc2C1
O=C(NCCC(F)(F)F)N1CCc2sccc2C1 FC(F)(F)[*:1] O=C(NCC[*:1])N1CCc2sccc2C1
C[C@@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Nc3ccccc3F)c2)C1=O Fc1ccccc1[*:1] C[C@@H]1CS(=O)(=O)N(C1=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
CN(C)S(=O)(=O)C=C(c1ccccc1)c1ccccc1 CN(C)S(=O)(=O)[*:1] C(=C(c1ccccc1)c1ccccc1)[*:1]
CN(C)S(=O)(=O)C=C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)S(=O)(=O)C=C(c1ccccc1)[*:1]
COc1c(F)cc(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)cc1F C1CN(CCS1)[*:1] COc1c(F)cc(cc1F)NC(=O)[C@@H](c1ccccc1)[*:1]
COc1c(F)cc(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)cc1F c1ccc(cc1)[*:1] COc1c(F)cc(cc1F)NC(=O)[C@@H](N1CCSCC1)[*:1]
CC(=O)C1=C(C)[C@H](C(=O)OCc2nc3ccccc3s2)N=C1C CC(=O)[*:1] CC1=N[C@@H](C(=O)OCc2nc3ccccc3s2)C(C)=C1[*:1]
Cc1cc(=O)oc2cc(OCCSc3cccc[n+]3[O-])ccc12 [O-][n+]1ccccc1[*:1] Cc1cc(=O)oc2cc(ccc12)OCCS[*:1]
CCC[C@H]1C[NH2+]C(C)(C)CN1Cc1nccs1 CCC[*:1] CC1(C)CN(Cc2nccs2)[C@H](C[NH2+]1)[*:1]
CCC[C@H]1C[NH2+]C(C)(C)CN1Cc1nccs1 c1csc(n1)[*:1] CCC[C@H]1C[NH2+]C(C)(C)CN1C[*:1]
COCC[C@H](C)C(=O)Nc1cccc(N2CCCNC2=O)c1 O=C1NCCCN1[*:1] COCC[C@H](C)C(=O)Nc1cccc(c1)[*:1]
COCC[C@H](C)C(=O)Nc1cccc(N2CCCNC2=O)c1 COCC[*:1] C[C@H](C(=O)Nc1cccc(c1)N1CCCNC1=O)[*:1]
COCC[C@H](C)C(=O)Nc1cccc(N2CCCNC2=O)c1 COCC[C@H](C)[*:1] O=C1NCCCN1c1cccc(c1)NC(=O)[*:1]
COCC[C@H](C)C(=O)Nc1cccc(N2CCCNC2=O)c1 COC[*:1] C[C@@H](C[*:1])C(=O)Nc1cccc(c1)N1CCCNC1=O
CC(C)C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2)N1CCOCC1 CC(C)[*:1] O=C(NC[C@@H](C[*:1])N1CCOCC1)c1cc2CCCCc2[nH]c1=O
CC(C)C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2)N1CCOCC1 CC(C)C[*:1] O=C(NC[C@H](N1CCOCC1)[*:1])c1cc2CCCCc2[nH]c1=O
CC(C)C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@H](CNC(=O)c1cc2CCCCc2[nH]c1=O)[*:1]
C[C@@H](CN1CCOCC1)Nc1ccc([N+](=O)[O-])c(N)n1 C1CN(CCO1)[*:1] C[C@@H](C[*:1])Nc1ccc(c(N)n1)[N+](=O)[O-]
C[C@@H](CN1CCOCC1)Nc1ccc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] C[C@@H](CN1CCOCC1)Nc1ccc(c(N)n1)[*:1]
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc2ccccc2s1 c1ccc2sc(cc2c1)[*:1] CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[*:1]
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc2ccccc2s1 CCN(CC)S(=O)(=O)[*:1] O=C(c1cc2ccccc2s1)N1CCc2cc(ccc21)[*:1]
CN(CC1CC[NH2+]CC1)c1ccc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CC1CC[NH2+]CC1)c1ccc(Br)cc1[*:1]
C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)Cn1cccn1 c1cnn(c1)C[*:1] C[C@@H](CNC(=O)N1CCN(CC1)CC(=O)N1CCCCCC1)[*:1]
C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)Cn1cccn1 c1cnn(c1)[*:1] C[C@@H](CNC(=O)N1CCN(CC1)CC(=O)N1CCCCCC1)C[*:1]
C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)Cn1cccn1 O=C(N1CCCCCC1)[*:1] C[C@@H](CNC(=O)N1CCN(CC1)C[*:1])Cn1cccn1
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccnc(F)c1 Fc1cc(ccn1)[*:1] Cc1cc(ccc1NC(=O)[*:1])S(C)(=O)=O
Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccnc(F)c1 CS(=O)(=O)[*:1] Cc1cc(ccc1NC(=O)c1ccnc(F)c1)[*:1]
CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 CS(=O)(=O)[*:1] CCCC[NH+]1CCC(CC1)NS(=O)(=O)c1ccc(F)c(c1)[*:1]
CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 CCCC[*:1] CS(=O)(=O)c1cc(ccc1F)S(=O)(=O)NC1CC[NH+](CC1)[*:1]
CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 CCC[*:1] CS(=O)(=O)c1cc(ccc1F)S(=O)(=O)NC1CC[NH+](CC1)C[*:1]
NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@@H]1CC(=O)N(C1)c1cccc(F)c1
NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 Fc1cccc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)NC(=O)N[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)C2=CN1CCOCC1 COc1ccccc1[*:1] COc1ccc2C(=CN3CCOCC3)C(=O)N(C(=O)c2c1)[*:1]
COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)C2=CN1CCOCC1 C1CN(CCO1)[*:1] COc1ccc2C(=C[*:1])C(=O)N(C(=O)c2c1)c1ccccc1OC
Cc1cccc(C2=CCN(C(=O)/C=C/c3nc4ccccc4o3)CC2)c1 Cc1cccc(c1)[*:1] O=C(/C=C/c1nc2ccccc2o1)N1CC=C(CC1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)cc1 CCO[*:1] COc1ccc(cc1N1CCCC1=O)NS(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1N1CCCC1=O)NS(=O)(=O)[*:1]
CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)cc1 O=C1CCCN1[*:1] CCOc1ccc(cc1)S(=O)(=O)Nc1ccc(OC)c(c1)[*:1]
CS(=O)(=O)NC1CCN(C(=O)C=C(C2CC2)C2CC2)CC1 CS(=O)(=O)N[*:1] O=C(C=C(C1CC1)C1CC1)N1CCC(CC1)[*:1]
CS(=O)(=O)NC1CCN(C(=O)C=C(C2CC2)C2CC2)CC1 C1CC1[*:1] CS(=O)(=O)NC1CCN(CC1)C(=O)C=C(C1CC1)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)CNC(=O)[*:1]
Cc1cc(C)c(NC(=O)c2cnc3c(cnn3CC(C)C)c2)c(Cl)n1 CC(C)[*:1] Cc1cc(C)c(NC(=O)c2cnc3c(cnn3C[*:1])c2)c(Cl)n1
Cc1cc(C)c(NC(=O)c2cnc3c(cnn3CC(C)C)c2)c(Cl)n1 CC(C)C[*:1] Cc1cc(C)c(NC(=O)c2cnc3c(cnn3[*:1])c2)c(Cl)n1
O=S(=O)(CCO)Cc1ncc(-c2ccc(Br)cc2)o1 OCC[*:1] O=S(=O)(Cc1ncc(o1)-c1ccc(Br)cc1)[*:1]
O=S(=O)(CCO)Cc1ncc(-c2ccc(Br)cc2)o1 O=S(=O)(CCO)[*:1] Brc1ccc(cc1)-c1cnc(C[*:1])o1
CCOC(=O)Nc1cccc(OC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1 CCOC(=O)N[*:1] O=C(Oc1cccc(c1)[*:1])[C@H]1CCCC[C@@H]1C(F)(F)F
CCOC(=O)Nc1cccc(OC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1 FC(F)(F)[*:1] CCOC(=O)Nc1cccc(c1)OC(=O)[C@H]1CCCC[C@H]1[*:1]
CN(CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)c1cccs1 CN(C(=O)c1cccs1)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
CN(CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)c1cccs1 c1csc(c1)[*:1] CN(CC(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)[*:1]
CN(CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)c1cccs1 CN(C[*:1])C(=O)c1cccs1 O=C(Nc1cccc(c1)C(F)(F)F)c1ccccc1NC(=O)[*:1]
CN(CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)c1cccs1 FC(F)(F)c1cccc(c1)[*:1] CN(CC(=O)Nc1ccccc1C(=O)N[*:1])C(=O)c1cccs1
CN(CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)c1cccs1 FC(F)(F)[*:1] CN(CC(=O)Nc1ccccc1C(=O)Nc1cccc(c1)[*:1])C(=O)c1cccs1
CC[C@H](C)n1ncc(C(=O)NCc2nccc(N)n2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)NCc2nccc(N)n2)c1[*:1]
CC[C@H](C)n1ncc(C(=O)NCc2nccc(N)n2)c1C1CC1 CC[C@H](C)[*:1] Nc1ccnc(CNC(=O)c2cnn(c2C2CC2)[*:1])n1
CC[C@H](C)n1ncc(C(=O)NCc2nccc(N)n2)c1C1CC1 Nc1ccnc(n1)[*:1] CC[C@H](C)n1ncc(C(=O)NC[*:1])c1C1CC1
CC(C)(C)OC(=O)N1CCC[C@@H]([S@](=O)c2ccc(F)c(F)c2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](C1)[S@](=O)c1ccc(F)c(F)c1
CCOC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(OC)c(C)c2)CC1 COc1ccc(cc1C)[*:1] CCOC(=O)C1CCN(CC1)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)[*:1]
CCOC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(OC)c(C)c2)CC1 CCOC(=O)[*:1] COc1ccc(cc1C)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCC(CC1)[*:1]
C[C@@H](CCCO)[NH2+]Cc1ccc(O)c(Cl)c1 OCCC[*:1] C[C@@H]([NH2+]Cc1ccc(O)c(Cl)c1)[*:1]
C[C@@H](CCCO)[NH2+]Cc1ccc(O)c(Cl)c1 OCC[*:1] C[C@@H](C[*:1])[NH2+]Cc1ccc(O)c(Cl)c1
CCOc1ccccc1CS(=O)(=O)CC(=O)N1CCCc2ccccc21 CCO[*:1] O=C(CS(=O)(=O)Cc1ccccc1[*:1])N1CCCc2ccccc21
COc1ccccc1CN(C)C(=O)CNc1cccc(NC(C)=O)c1 CC(=O)N[*:1] COc1ccccc1CN(C)C(=O)CNc1cccc(c1)[*:1]
COc1ccccc1CN(C)C(=O)CNc1cccc(NC(C)=O)c1 COc1ccccc1[*:1] CC(=O)Nc1cccc(c1)NCC(=O)N(C)C[*:1]
O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(Nc1ccc(F)c(c1)C(F)(F)F)N1CCC[C@@H]1[*:1]
O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(Nc1ccc(F)c(c1)C(F)(F)F)N1CCC[C@H]1C[*:1]
O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H]1CN1CCOCC1 FC(F)(F)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])N1CCC[C@H]1CN1CCOCC1
COc1ccccc1-c1ccc(N2CC[C@@H](Cc3ccc(CO)cc3)C2)nn1 OCc1ccc(cc1)[*:1] COc1ccccc1-c1ccc(nn1)N1CC[C@H](C1)C[*:1]
COc1ccccc1-c1ccc(N2CC[C@@H](Cc3ccc(CO)cc3)C2)nn1 COc1ccccc1[*:1] OCc1ccc(cc1)C[C@@H]1CCN(C1)c1ccc(nn1)[*:1]
COc1ccccc1-c1ccc(N2CC[C@@H](Cc3ccc(CO)cc3)C2)nn1 OCc1ccc(cc1)C[*:1] COc1ccccc1-c1ccc(nn1)N1CC[C@@H](C1)[*:1]
COc1cccc(O[C@@H](C)C(=O)N2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 COc1cccc(c1)[*:1] Cc1cc(n2nc(cc2n1)[C@H]1CCN(C1)C(=O)[C@H](C)O[*:1])C(F)(F)F
COc1cccc(O[C@@H](C)C(=O)N2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 COc1cccc(c1)O[*:1] Cc1cc(n2nc(cc2n1)[C@H]1CCN(C1)C(=O)[C@H](C)[*:1])C(F)(F)F
COc1cccc(O[C@@H](C)C(=O)N2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 FC(F)(F)[*:1] COc1cccc(c1)O[C@@H](C)C(=O)N1CC[C@@H](C1)c1cc2nc(C)cc(n2n1)[*:1]
O=C(Oc1ccc2nccnc2c1)[C@H]1C[C@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Oc1ccc2nccnc2c1)[C@H]1C[C@@H]1[*:1]
O=C(NCc1ccccc1)c1cccc(OS(=O)(=O)c2ccc(Br)s2)c1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1cccc(c1)OS(=O)(=O)c1ccc(Br)s1
O=C(NCc1ccccc1)c1cccc(OS(=O)(=O)c2ccc(Br)s2)c1 Brc1ccc(s1)[*:1] O=C(NCc1ccccc1)c1cccc(c1)OS(=O)(=O)[*:1]
O=C(NCc1ccccc1)c1cccc(OS(=O)(=O)c2ccc(Br)s2)c1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1cccc(c1)OS(=O)(=O)c1ccc(Br)s1
CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc(OC)cc1 Clc1ccc(cc1)[*:1] CCS(=O)(=O)N(CC(=O)N[*:1])c1ccc(cc1)OC
CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)[*:1]
OCc1nnc(SCc2ccccc2Oc2ccccc2)n1C1CC1 c1ccc(cc1)O[*:1] OCc1nnc(SCc2ccccc2[*:1])n1C1CC1
OCc1nnc(SCc2ccccc2Oc2ccccc2)n1C1CC1 C1CC1[*:1] OCc1nnc(SCc2ccccc2Oc2ccccc2)n1[*:1]
OCc1nnc(SCc2ccccc2Oc2ccccc2)n1C1CC1 c1ccc(cc1)[*:1] OCc1nnc(SCc2ccccc2O[*:1])n1C1CC1
O=C([O-])COCC(=O)N1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 Fc1ccc(cc1)[*:1] O=C([O-])COCC(=O)N1CCC(CC1)[NH+]1CCN(CC1)[*:1]
O=C([O-])COCC(=O)N1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 O=C([O-])COC[*:1] O=C(N1CCC(CC1)[NH+]1CCN(CC1)c1ccc(F)cc1)[*:1]
O=C([O-])COCC(=O)N1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 O=C([O-])[*:1] O=C(COC[*:1])N1CCC(CC1)[NH+]1CCN(CC1)c1ccc(F)cc1
O=C([O-])COCC(=O)N1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 O=C([O-])CO[*:1] O=C(C[*:1])N1CCC(CC1)[NH+]1CCN(CC1)c1ccc(F)cc1
O=C([O-])COCC(=O)N1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 O=C([O-])C[*:1] O=C(CO[*:1])N1CCC(CC1)[NH+]1CCN(CC1)c1ccc(F)cc1
CC(C)CCn1cccc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 CC(C)CC[*:1] O=C(CC1CC[NH+](CC1)Cc1cccn1[*:1])N1CCCC1
CC(C)CCn1cccc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 CC(C)C[*:1] O=C(CC1CC[NH+](CC1)Cc1cccn1C[*:1])N1CCCC1
CC(C)CCn1cccc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 CC(C)[*:1] O=C(CC1CC[NH+](CC1)Cc1cccn1CC[*:1])N1CCCC1
CC(C)CCn1cccc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] CC(C)CCn1cccc1C[NH+]1CCC(CC1)C[*:1]
CC(C)CCn1cccc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 O=C(C[*:1])N1CCCC1 CC(C)CCn1cccc1C[NH+]1CCC(CC1)[*:1]
CC(C)(C)[C@H](NC(=O)NCCc1ccccc1)c1cccs1 c1ccc(cc1)C[*:1] CC(C)(C)[C@H](NC(=O)NC[*:1])c1cccs1
CC(C)(C)[C@H](NC(=O)NCCc1ccccc1)c1cccs1 CC(C)(C)[*:1] O=C(NCCc1ccccc1)N[C@H](c1cccs1)[*:1]
CC(C)(C)[C@H](NC(=O)NCCc1ccccc1)c1cccs1 c1ccc(cc1)[*:1] CC(C)(C)[C@H](NC(=O)NCC[*:1])c1cccs1
CC(C)(C)[C@H](NC(=O)NCCc1ccccc1)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@H](NC(=O)NCCc1ccccc1)[*:1]
COc1ccccc1OCc1cc(C(=O)NC2CCCCCC2)no1 COc1ccccc1[*:1] O=C(NC1CCCCCC1)c1cc(CO[*:1])on1
COc1ccccc1OCc1cc(C(=O)NC2CCCCCC2)no1 C1CCCC(CC1)[*:1] COc1ccccc1OCc1cc(no1)C(=O)N[*:1]
CCn1c([C@H]2CCCN(Cc3ccc(S(=O)(=O)NC)cc3)C2)n[nH]c1=O CCn1c(n[nH]c1=O)[*:1] CNS(=O)(=O)c1ccc(cc1)CN1CCC[C@@H](C1)[*:1]
CCn1c([C@H]2CCCN(Cc3ccc(S(=O)(=O)NC)cc3)C2)n[nH]c1=O CNS(=O)(=O)[*:1] CCn1c(n[nH]c1=O)[C@H]1CCCN(Cc2ccc(cc2)[*:1])C1
Cc1cc(Br)ccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O c1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)[C@@H](C[*:1])N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O
Cc1cc(Br)ccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O c1ccc(cc1)C[*:1] Cc1cc(Br)ccc1NC(=O)[C@@H](N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)[*:1]
Cc1cc(Br)ccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O Cc1cc(Br)ccc1[*:1] O=C(N[*:1])[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O
CC(C)Cc1nnc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)s1 CC(C)C[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(cc1)Cn1nnc2ccccc2c1=O
CC(C)Cc1nnc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)s1 CC(C)Cc1nnc(s1)[*:1] O=C(N[*:1])c1ccc(cc1)Cn1nnc2ccccc2c1=O
CC(C)Cc1nnc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)s1 CC(C)[*:1] O=C(Nc1nnc(C[*:1])s1)c1ccc(cc1)Cn1nnc2ccccc2c1=O
CCCN1CCO[C@H]([C@@H](CC2CCOCC2)[NH2+]CC)C1 CCC[*:1] CC[NH2+][C@H](CC1CCOCC1)[C@@H]1CN(CCO1)[*:1]
CCCN1CCO[C@H]([C@@H](CC2CCOCC2)[NH2+]CC)C1 C1CC(CCO1)[*:1] CCCN1CCO[C@@H](C1)[C@@H](C[*:1])[NH2+]CC
CC(C)CCCNC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C CC(C)C[*:1] Cn1c(=O)c2c(nc(Cl)n2CC(=O)NCC[*:1])n(C)c1=O
CC(C)CCCNC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C CC(C)CCC[*:1] Cn1c(=O)c2c(nc(Cl)n2CC(=O)N[*:1])n(C)c1=O
CC(C)CCCNC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C CC(C)CC[*:1] Cn1c(=O)c2c(nc(Cl)n2CC(=O)NC[*:1])n(C)c1=O
CC(C)CCCNC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C CC(C)[*:1] Cn1c(=O)c2c(nc(Cl)n2CC(=O)NCCC[*:1])n(C)c1=O
NC(=O)Cc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])C1(CCCC1)c1ccccc1F
NC(=O)Cc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 NC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])C1(CCCC1)c1ccccc1F
NC(=O)Cc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 Fc1ccccc1[*:1] NC(=O)Cc1ccc(cc1)NC(=O)C1(CCCC1)[*:1]
C[C@@H](CCc1ccccc1F)C(=O)NCCc1nc2ccccc2s1 Fc1ccccc1[*:1] C[C@@H](CC[*:1])C(=O)NCCc1nc2ccccc2s1
C[C@@H](CCc1ccccc1F)C(=O)NCCc1nc2ccccc2s1 Fc1ccccc1C[*:1] C[C@@H](C[*:1])C(=O)NCCc1nc2ccccc2s1
COc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3ccc(Cl)cc3s2)cc(OC)c1OC Clc1ccc2nc(sc2c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N(C[C@H]1CCCO1)[*:1]
CN(C)S(=O)(=O)c1cccc(C[NH+](CC2CC2)C2CCCCC2)c1 CN(C)S(=O)(=O)[*:1] c1cc(cc(c1)[*:1])C[NH+](CC1CC1)C1CCCCC1
CN(C)S(=O)(=O)c1cccc(C[NH+](CC2CC2)C2CCCCC2)c1 C1CC1C[*:1] CN(C)S(=O)(=O)c1cccc(c1)C[NH+](C1CCCCC1)[*:1]
CN(C)S(=O)(=O)c1cccc(C[NH+](CC2CC2)C2CCCCC2)c1 C1CC1[*:1] CN(C)S(=O)(=O)c1cccc(c1)C[NH+](C[*:1])C1CCCCC1
CN(C)S(=O)(=O)c1cccc(C[NH+](CC2CC2)C2CCCCC2)c1 C1CCC(CC1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)C[NH+](CC1CC1)[*:1]
O=C(Nc1ccccc1C(=O)NC1CC1)c1cnc2ccccc2n1 O=C(NC1CC1)[*:1] O=C(Nc1ccccc1[*:1])c1cnc2ccccc2n1
O=C(Nc1ccccc1C(=O)NC1CC1)c1cnc2ccccc2n1 C1CC1[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1cnc2ccccc2n1
CCOc1cc(C)ccc1NC(=O)c1cc(C#N)cs1 CCO[*:1] Cc1ccc(NC(=O)c2cc(C#N)cs2)c(c1)[*:1]
[NH3+][C@@H](CC(=O)[O-])c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] [NH3+][C@@H](CC(=O)[O-])c1cc(ccc1Cl)[*:1]
[NH3+][C@@H](CC(=O)[O-])c1cc([N+](=O)[O-])ccc1Cl O=C([O-])[*:1] [NH3+][C@@H](C[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
Cc1c(C)c2cc(Cl)c(O[C@@H](C)C(=O)[O-])cc2oc1=O O=C([O-])[*:1] Cc1c(C)c2cc(Cl)c(cc2oc1=O)O[C@@H](C)[*:1]
CC(=O)c1ccc(NC(=O)[C@@H]2CCO[C@@H]2C)cc1 CC(=O)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CC[NH+](CC)C[C@@H]1CCN(Cc2nc(C)no2)C1 Cc1noc(n1)[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)C[*:1]
CCc1nnc(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@H]2C)n1C C[C@@H]1CCCC[C@H]1[*:1] CCc1nnc(CS(=O)(=O)CC(=O)N[*:1])n1C
O=C1N[C@H](CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)[O-])C2)c2ccccc21 O=C([O-])[*:1] O=C1N[C@H](CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C2)[*:1])c2ccccc21
O=C1N[C@H](CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)[O-])C2)c2ccccc21 Fc1ccc(cc1)[*:1] O=C1N[C@H](CC(=O)N2C[C@H]([C@H](C2)C(=O)[O-])[*:1])c2ccccc21
O=C(NCc1nc2ccccc2s1)c1cccn(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(NCc1nc2ccccc2s1)c1cccn(C[*:1])c1=O
O=C(NCc1nc2ccccc2s1)c1cccn(Cc2ccccc2)c1=O c1ccc2sc(nc2c1)[*:1] O=C(NC[*:1])c1cccn(Cc2ccccc2)c1=O
O=C(NCc1nc2ccccc2s1)c1cccn(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] O=C(NCc1nc2ccccc2s1)c1cccn(c1=O)[*:1]
C[C@H](NC(=O)CSc1nc(N)c2ccsc2n1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CSc1nc(N)c2ccsc2n1)[*:1]
O=C(c1ccccc1[N+](=O)[O-])c1nc2ccccc2n1-c1ccccc1 O=[N+]([O-])[*:1] O=C(c1ccccc1[*:1])c1nc2ccccc2n1-c1ccccc1
O=C(c1ccccc1[N+](=O)[O-])c1nc2ccccc2n1-c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccccc1[N+](=O)[O-])c1nc2ccccc2n1[*:1]
C[NH+](C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(Cl)cc3)C[C@H]12 Clc1ccc(cc1)[*:1] C[NH+](C)CCNC(=O)[C@@H]1Cc2cc(ccc2N2CCN(C[C@H]12)[*:1])C(F)(F)F
C[NH+](C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(Cl)cc3)C[C@H]12 FC(F)(F)[*:1] C[NH+](C)CCNC(=O)[C@@H]1Cc2cc(ccc2N2CCN(C[C@H]12)c1ccc(Cl)cc1)[*:1]
CC(C)CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N3CCC(C)CC3)nnc12 CC(C)CC[*:1] CC1CCN(CC1)C(=O)[C@@H](C)Sc1nnc2n(c(=O)c3ccccc3n12)[*:1]
CC(C)CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N3CCC(C)CC3)nnc12 CC(C)C[*:1] CC1CCN(CC1)C(=O)[C@@H](C)Sc1nnc2n(C[*:1])c(=O)c3ccccc3n12
CC(C)CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N3CCC(C)CC3)nnc12 CC1CCN(CC1)C(=O)[*:1] CC(C)CCn1c(=O)c2ccccc2n2c(nnc12)S[C@H](C)[*:1]
CC(C)CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N3CCC(C)CC3)nnc12 CC(C)[*:1] CC1CCN(CC1)C(=O)[C@@H](C)Sc1nnc2n(CC[*:1])c(=O)c3ccccc3n12
CN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)NC2CCCCCC2)c1 c1ccc(cc1)C[*:1] CN(S(=O)(=O)c1csc(c1)C(=O)NC1CCCCCC1)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)NC2CCCCCC2)c1 c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)c1csc(c1)C(=O)NC1CCCCCC1
CN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)NC2CCCCCC2)c1 C1CCCC(CC1)[*:1] CN(Cc1ccccc1)S(=O)(=O)c1csc(c1)C(=O)N[*:1]
COc1ccc(-c2csc(N3CCC(C)CC3)n2)c(OC)c1 CC1CCN(CC1)[*:1] COc1ccc(-c2csc(n2)[*:1])c(c1)OC
O=C([O-])c1csc([C@H]2CCCc3cccnc32)c1 O=C([O-])[*:1] c1cnc2c(c1)CCC[C@@H]2c1cc(cs1)[*:1]
CCCCC[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1 CCC[*:1] Cc1ncc(s1)[C@H](C)[NH2+][C@@H](C)CC[*:1]
CCCCC[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1 CCCC[*:1] Cc1ncc(s1)[C@H](C)[NH2+][C@@H](C)C[*:1]
CCCCC[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1 CCCCC[*:1] Cc1ncc(s1)[C@H](C)[NH2+][C@@H](C)[*:1]
O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCCC[C@]21c1ccccc1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1)[*:1])N1C[C@@H]2CCCC[C@]21c1ccccc1
O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCCC[C@]21c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])N1C[C@@H]2CCCC[C@]21[*:1]
C[C@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@H](C[*:1])C(=O)NC[C@@](C)(O)c1ccc(F)cc1
C[C@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)c1ccc(F)cc1 c1ccc(cc1)C[*:1] C[C@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1)[*:1]
C[C@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Cc1ccccc1)C(=O)NC[C@@](C)(O)[*:1]
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Nc1ccc2c(c1)COC2 Clc1ccc(c(Cl)c1)[*:1] C[C@H](N(C)C(=O)Nc1ccc2COCc2c1)[*:1]
CC[C@@H]1CCCC[C@@H]1OCCOc1ccc(C(N)=S)cc1 NC(=S)[*:1] CC[C@@H]1CCCC[C@@H]1OCCOc1ccc(cc1)[*:1]
CN(C)c1cc(C(=O)N(CC2CC2)c2ccccc2)cc(Cl)n1 c1ccc(cc1)[*:1] CN(C)c1cc(cc(Cl)n1)C(=O)N(CC1CC1)[*:1]
CN(C)c1cc(C(=O)N(CC2CC2)c2ccccc2)cc(Cl)n1 CN(C)[*:1] O=C(c1cc(Cl)nc(c1)[*:1])N(CC1CC1)c1ccccc1
CN(C)c1cc(C(=O)N(CC2CC2)c2ccccc2)cc(Cl)n1 C1CC1[*:1] CN(C)c1cc(cc(Cl)n1)C(=O)N(C[*:1])c1ccccc1
CN(C)c1cc(C(=O)N(CC2CC2)c2ccccc2)cc(Cl)n1 C1CC1C[*:1] CN(C)c1cc(cc(Cl)n1)C(=O)N(c1ccccc1)[*:1]
COC[C@@H](N[C@H](C)c1ccc(C)cc1C)c1ccccc1 COC[*:1] Cc1ccc(c(C)c1)[C@@H](C)N[C@@H](c1ccccc1)[*:1]
COC[C@@H](N[C@H](C)c1ccc(C)cc1C)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@H](N[C@H](C)c1ccc(C)cc1C)[*:1]
C[C@@H]1CCC[C@](CO)(Nc2ccc(C(=O)N(C)C)nn2)C1 CN(C)C(=O)[*:1] C[C@@H]1CCC[C@@](CO)(C1)Nc1ccc(nn1)[*:1]
COC(=O)[C@H](C)NC(=O)c1ccc(Cn2cnc3ccccc3c2=O)o1 COC(=O)[*:1] C[C@H](NC(=O)c1ccc(Cn2cnc3ccccc3c2=O)o1)[*:1]
O=[S@@](CCC(F)(F)F)c1cccc(F)c1 FC(F)(F)C[*:1] O=[S@@](C[*:1])c1cccc(F)c1
O=[S@@](CCC(F)(F)F)c1cccc(F)c1 FC(F)(F)[*:1] O=[S@@](CC[*:1])c1cccc(F)c1
C[C@@H]1C(=O)NCCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H]1C(=O)NCCN1C(=O)c1nc(n(n1)-c1ccccc1)[*:1]
C[C@@H]1C(=O)NCCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H]1C(=O)NCCN1C(=O)c1nc(-c2ccccc2)n(n1)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)NCc3cc(C(C)C)no3)c2)n1 CC(C)c1cc(C[*:1])on1 CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)N[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)NCc3cc(C(C)C)no3)c2)n1 CC(C)[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)NCc1cc(no1)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)NCc3cc(C(C)C)no3)c2)n1 CC(C)c1cc(on1)[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)NC[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)NCc3cc(C(C)C)no3)c2)n1 CCc1noc(n1)[*:1] Cc1ccc(cc1NC(=O)NCc1cc(no1)C(C)C)[*:1]
CC1CCN(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC1CCN(/C=C(\C#N)S(=O)(=O)[*:1])CC1
CC1CCN(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 CC1CCN(CC1)[*:1] N#CC(=C[*:1])S(=O)(=O)c1ccc(Cl)cc1
CCN(Cc1ccoc1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 c1cc(co1)[*:1] CCN(C[*:1])C(=O)Nc1cccc(c1)CC[NH+]1CCCC1
CCN(Cc1ccoc1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 c1cc(co1)C[*:1] CCN(C(=O)Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
C[C@@H]1C(=O)N[C@H](C(C)(C)C)C(=O)N1[C@@H]1CCCC1(C)C CC(C)(C)[*:1] C[C@@H]1C(=O)N[C@H](C(=O)N1[C@@H]1CCCC1(C)C)[*:1]
O=C(NCc1ccc(CNC(=O)Nc2ccccc2)cc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)CNC(=O)N[*:1])Nc1ccccc1
Cc1ccc(C[C@H](C)NC(=O)NCC(F)(F)F)c(C)c1 FC(F)(F)C[*:1] Cc1ccc(C[C@H](C)NC(=O)N[*:1])c(C)c1
Cc1ccc(C[C@H](C)NC(=O)NCC(F)(F)F)c(C)c1 FC(F)(F)[*:1] Cc1ccc(C[C@H](C)NC(=O)NC[*:1])c(C)c1
O=C(c1ccccc1F)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)CC1 Fc1ccccc1[*:1] O=C(c1cccc2ccccc12)N1CCC[C@H](C1)C(=O)N1CCN(CC1)C(=O)[*:1]
O=C(c1ccccc1F)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)CC1 c1ccc2c(cccc2c1)[*:1] O=C(c1ccccc1F)N1CCN(CC1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
OCCc1cn(CC2CC[NH+](C3Cc4ccccc4C3)CC2)nn1 OCC[*:1] c1ccc2CC(Cc2c1)[NH+]1CCC(CC1)Cn1cc(nn1)[*:1]
OCCc1cn(CC2CC[NH+](C3Cc4ccccc4C3)CC2)nn1 OCCc1cn(nn1)[*:1] c1ccc2CC(Cc2c1)[NH+]1CCC(CC1)C[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCCC(=O)[O-] O=C([O-])[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCC[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCCC(=O)[O-] O=C([O-])CC[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C[*:1]
C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCCC(=O)[O-] O=C([O-])C[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[*:1]
COC(=O)c1ccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 COC(=O)[*:1] c1cc(ccc1CN1CCO[C@H](C1)[C@@H]1CCCO1)[*:1]
COC(=O)c1ccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 C1CO[C@@H](C1)[*:1] COC(=O)c1ccc(cc1)CN1CCO[C@@H](C1)[*:1]
COC(=O)[C@@H](C)Oc1ccc(-c2cc3ccccc3oc2=O)cc1 COC(=O)[*:1] C[C@@H](Oc1ccc(cc1)-c1cc2ccccc2oc1=O)[*:1]
COC(=O)[C@@H](C)Oc1ccc(-c2cc3ccccc3oc2=O)cc1 COC(=O)[C@@H](C)O[*:1] O=c1oc2ccccc2cc1-c1ccc(cc1)[*:1]
COC(=O)[C@@H](C)Oc1ccc(-c2cc3ccccc3oc2=O)cc1 COC(=O)[C@@H](C)[*:1] O=c1oc2ccccc2cc1-c1ccc(cc1)O[*:1]
CCOC(=O)[C@@]1(O)CCCc2ccc(OC)cc21 CCOC(=O)[*:1] COc1ccc2CCC[C@](O)(c2c1)[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](O)CC(C)(C)CNC(=O)[C@@H](C)NC(=O)N[*:1]
C[C@@H](O)CC(C)(C)CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 C[C@@H](O)[*:1] C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC(C)(C)C[*:1]
CONS(=O)(=O)c1ccc(C(=O)N(C)CC2CC2)cc1 C1CC1C[*:1] CONS(=O)(=O)c1ccc(cc1)C(=O)N(C)[*:1]
CONS(=O)(=O)c1ccc(C(=O)N(C)CC2CC2)cc1 CONS(=O)(=O)[*:1] CN(CC1CC1)C(=O)c1ccc(cc1)[*:1]
CONS(=O)(=O)c1ccc(C(=O)N(C)CC2CC2)cc1 C1CC1[*:1] CONS(=O)(=O)c1ccc(cc1)C(=O)N(C)C[*:1]
O=C(c1ccc(NC2CCC2)nc1)N1CCCC[C@H]1CCn1cccn1 C1CC(C1)[*:1] O=C(c1ccc(nc1)N[*:1])N1CCCC[C@H]1CCn1cccn1
O=C(c1ccc(NC2CCC2)nc1)N1CCCC[C@H]1CCn1cccn1 c1cnn(c1)CC[*:1] O=C(c1ccc(nc1)NC1CCC1)N1CCCC[C@@H]1[*:1]
O=C(c1ccc(NC2CCC2)nc1)N1CCCC[C@H]1CCn1cccn1 c1cnn(c1)C[*:1] O=C(c1ccc(nc1)NC1CCC1)N1CCCC[C@H]1C[*:1]
O=C(c1ccc(NC2CCC2)nc1)N1CCCC[C@H]1CCn1cccn1 C1CC(C1)N[*:1] O=C(c1ccc(nc1)[*:1])N1CCCC[C@H]1CCn1cccn1
O=C(c1ccc(NC2CCC2)nc1)N1CCCC[C@H]1CCn1cccn1 c1cnn(c1)[*:1] O=C(c1ccc(nc1)NC1CCC1)N1CCCC[C@H]1CC[*:1]
CC(C)COCC/[NH+]=C(\N)NC1CCCCCC1 CC(C)CO[*:1] N/C(NC1CCCCCC1)=[NH+]\CC[*:1]
CC(C)COCC/[NH+]=C(\N)NC1CCCCCC1 CC(C)COC[*:1] N/C(NC1CCCCCC1)=[NH+]\C[*:1]
CC(C)COCC/[NH+]=C(\N)NC1CCCCCC1 CC(C)C[*:1] N/C(NC1CCCCCC1)=[NH+]\CCO[*:1]
CC(C)COCC/[NH+]=C(\N)NC1CCCCCC1 CC(C)[*:1] N/C(NC1CCCCCC1)=[NH+]\CCOC[*:1]
COCCc1nnc(NC(=O)[C@H](C)Oc2ccccc2)o1 COCC[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1nnc(o1)[*:1]
COCCc1nnc(NC(=O)[C@H](C)Oc2ccccc2)o1 c1ccc(cc1)O[*:1] COCCc1nnc(NC(=O)[C@H](C)[*:1])o1
COCCc1nnc(NC(=O)[C@H](C)Oc2ccccc2)o1 COC[*:1] C[C@H](Oc1ccccc1)C(=O)Nc1nnc(C[*:1])o1
COCCc1nnc(NC(=O)[C@H](C)Oc2ccccc2)o1 c1ccc(cc1)[*:1] COCCc1nnc(NC(=O)[C@H](C)O[*:1])o1
CCOC(=O)c1cccc(NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)n1 CCOC(=O)[*:1] Fc1ccc(cc1F)N1CC[C@H](CNc2cccc(n2)[*:1])C1
CCOC(=O)c1cccc(NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)n1 Fc1ccc(cc1F)[*:1] CCOC(=O)c1cccc(n1)NC[C@H]1CCN(C1)[*:1]
Cn1cc[nH+]c1CNc1cc(C(F)(F)F)cc2c1OCC(=O)N2 FC(F)(F)[*:1] Cn1cc[nH+]c1CNc1cc(cc2NC(=O)COc12)[*:1]
N#Cc1cccc(CNC(=O)Nc2ccccc2N2CCCC2=O)c1 N#Cc1cccc(c1)[*:1] O=C(NC[*:1])Nc1ccccc1N1CCCC1=O
N#Cc1cccc(CNC(=O)Nc2ccccc2N2CCCC2=O)c1 O=C1CCCN1[*:1] N#Cc1cccc(c1)CNC(=O)Nc1ccccc1[*:1]
CCO[C@H](C)c1nc(CONC(=O)C2CCCC2)cs1 CCO[*:1] C[C@H](c1nc(cs1)CONC(=O)C1CCCC1)[*:1]
CCO[C@H](C)c1nc(CONC(=O)C2CCCC2)cs1 CCO[C@H](C)[*:1] O=C(NOCc1csc(n1)[*:1])C1CCCC1
CCO[C@H](C)c1nc(CONC(=O)C2CCCC2)cs1 C1CCC(C1)[*:1] CCO[C@H](C)c1nc(cs1)CONC(=O)[*:1]
SCC[NH+](CC1CC1)C1CC1 SCC[*:1] C1CC1C[NH+](C1CC1)[*:1]
SCC[NH+](CC1CC1)C1CC1 C1CC1[*:1] SCC[NH+](C[*:1])C1CC1
SCC[NH+](CC1CC1)C1CC1 C1CC1[*:1] SCC[NH+](CC1CC1)[*:1]
CCc1noc(C)c1C(=O)N1CCC[C@@H](c2ccc(C(=O)N(C)C)cn2)C1 CCc1noc(C)c1[*:1] CN(C)C(=O)c1ccc(nc1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCc1noc(C)c1C(=O)N1CCC[C@@H](c2ccc(C(=O)N(C)C)cn2)C1 CN(C)C(=O)[*:1] CCc1noc(C)c1C(=O)N1CCC[C@H](C1)c1ccc(cn1)[*:1]
CC1(C)CCCN1C(=O)NCCNC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC1(C)CCCN1C(=O)NCCNC(=O)[*:1]
CC(=O)N[C@@H](CC(=O)NNc1ccc(F)cc1)c1ccc(Cl)cc1 CC(=O)N[*:1] O=C(C[C@@H](c1ccc(Cl)cc1)[*:1])NNc1ccc(F)cc1
CC(=O)N[C@@H](CC(=O)NNc1ccc(F)cc1)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)NN[*:1])c1ccc(Cl)cc1
CC(=O)N[C@@H](CC(=O)NNc1ccc(F)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)NNc1ccc(F)cc1)[*:1]
Cc1cc(C(=O)NC2(C#N)CCCCC2)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)NC1(C#N)CCCCC1
CCOC(=O)N1CCC(Nc2nn3cc(-c4ccccc4)nc3s2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCC(CC1)Nc1nn2cc(nc2s1)[*:1]
CCSC1=NC(=O)[C@@H]2C(=N1)N=C1CCCC([O-])=C1[C@@H]2c1ccc(O)c(OC)c1 COc1cc(ccc1O)[*:1] CCSC1=NC(=O)[C@@H]2C(N=C3CCCC([O-])=C3[C@H]2[*:1])=N1
O=C1[C@@H]2CN[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1C1CCCCC1 C1CCC(CC1)[*:1] O=C1[C@@H]2CN[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1[*:1]
O=S(=O)(c1ccccc1)N1Cc2nc(-c3ccccc3)sc2C1 c1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)N1Cc2nc(sc2C1)[*:1]
O=S(=O)(c1ccccc1)N1Cc2nc(-c3ccccc3)sc2C1 c1ccc(cc1)[*:1] O=S(=O)(N1Cc2nc(sc2C1)-c1ccccc1)[*:1]
COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)CS2)cc1 COc1ccc(cc1)[*:1] O=C1CSC(=N1)N1N=C(C[C@@H]1[*:1])c1ccc2ccccc2c1
O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1nc2ccc(F)cc2s1 Oc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)[*:1])Nc1nc2ccc(F)cc2s1
CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C)C2)cc1 CC(=O)[*:1] C[C@@H]1CCC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCn1cc(NC(=O)C2CCN(C(=O)[C@@H](O)c3ccccc3)CC2)cn1 CCn1cc(cn1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)[C@@H](O)c1ccccc1
CCn1cc(NC(=O)C2CCN(C(=O)[C@@H](O)c3ccccc3)CC2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)NC(=O)C1CCN(CC1)C(=O)[C@@H](O)[*:1]
CCn1cc(NC(=O)C2CCN(C(=O)[C@@H](O)c3ccccc3)CC2)cn1 O[C@@H](c1ccccc1)[*:1] CCn1cc(cn1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CCn1nnc2cc(C(=O)Nc3ccccc3C(C)(C)C)ccc21 CC(C)(C)[*:1] CCn1nnc2cc(ccc21)C(=O)Nc1ccccc1[*:1]
COc1ccc(C)cc1NC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N Nc1ncc(Br)cc1[*:1] COc1ccc(C)cc1NC(=O)CCNS(=O)(=O)[*:1]
CC(C)CN(C1CCCC1)S(=O)(=O)C[C@H]1CCCC[NH2+]1 C1CCC(C1)[*:1] CC(C)CN(S(=O)(=O)C[C@H]1CCCC[NH2+]1)[*:1]
CC(C)CN(C1CCCC1)S(=O)(=O)C[C@H]1CCCC[NH2+]1 CC(C)[*:1] O=S(=O)(C[C@H]1CCCC[NH2+]1)N(C[*:1])C1CCCC1
CC(C)CN(C1CCCC1)S(=O)(=O)C[C@H]1CCCC[NH2+]1 CC(C)C[*:1] O=S(=O)(C[C@H]1CCCC[NH2+]1)N(C1CCCC1)[*:1]
CCCc1nc(C)c(C(=O)N2CCC(C)(C(=O)OCC)CC2)s1 CCOC(=O)[*:1] CCCc1nc(C)c(s1)C(=O)N1CCC(C)(CC1)[*:1]
CCCc1nc(C)c(C(=O)N2CCC(C)(C(=O)OCC)CC2)s1 CCC[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)c1sc(nc1C)[*:1]
CCCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)n[nH]c1=O c1ccc(cc1)[*:1] CCCn1c(n[nH]c1=O)SCC(=O)Nc1ccccc1[*:1]
CCCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)n[nH]c1=O CCC[*:1] O=C(CSc1n[nH]c(=O)n1[*:1])Nc1ccccc1-c1ccccc1
Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccc2)CS(=O)(=O)C3)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)C(=O)N[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccc2)CS(=O)(=O)C3)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccccc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1[*:1]
Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccc2)CS(=O)(=O)C3)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)C(=O)NC[*:1]
CNc1ccc(CN2CCN(C(=O)c3ccc(C)o3)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])CN1CCN(CC1)C(=O)c1ccc(C)o1
CNc1ccc(CN2CCN(C(=O)c3ccc(C)o3)CC2)cc1[N+](=O)[O-] Cc1ccc(o1)[*:1] CNc1ccc(cc1[N+](=O)[O-])CN1CCN(CC1)C(=O)[*:1]
CCn1ccc(C(=O)/N=c2\sc3cc(SC)ccc3n2CC(=O)OC)n1 CCn1ccc(n1)[*:1] COC(=O)Cn1/c(=N/C(=O)[*:1])sc2cc(ccc21)SC
CCn1ccc(C(=O)/N=c2\sc3cc(SC)ccc3n2CC(=O)OC)n1 COC(=O)[*:1] CCn1ccc(n1)C(=O)/N=c1\sc2cc(ccc2n1C[*:1])SC
CCn1ccc(C(=O)/N=c2\sc3cc(SC)ccc3n2CC(=O)OC)n1 COC(=O)C[*:1] CCn1ccc(n1)C(=O)/N=c1\sc2cc(ccc2n1[*:1])SC
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1 COc1ccc(cc1)[*:1] O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1 O=C([O-])[*:1] COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)[C@H]1CCCC[C@H]1[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 c1cc(ccn1)C[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)O[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 CS(=O)(=O)[*:1] c1cc(ccn1)COc1ccc(cc1)C[NH2+][C@@H]1CCC[C@@H](C1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 c1cc(ccn1)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)OC[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 c1cc(ccn1)CO[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[NH2+]Cc1ccc(cc1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 N#Cc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)N1CCN(CC1)[C@H](C(N)=O)c1ccc(Cl)cc1
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 NC(=O)[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC1)[C@H](c1ccc(Cl)cc1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 N#Cc1ccc(cc1)O[*:1] C[C@@H](C(=O)N1CCN(CC1)[C@H](C(N)=O)c1ccc(Cl)cc1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC1)[C@H](C(N)=O)[*:1]
CC(C)(CNS(=O)(=O)c1ccc(F)c(C[NH3+])c1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNS(=O)(=O)c1ccc(F)c(c1)C[NH3+])[*:1]
CC(C)(CNS(=O)(=O)c1ccc(F)c(C[NH3+])c1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] [NH3+]Cc1cc(ccc1F)S(=O)(=O)NC[*:1]
Cc1sc2ncnc(N3CCC[C@@H]3c3cnn(C)c3)c2c1C Cn1cc(cn1)[*:1] Cc1sc2ncnc(c2c1C)N1CCC[C@H]1[*:1]
O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccco1 O=C(C[*:1])NCc1ccco1 O=C(Cn1c(=O)n(c(=O)c2sccc21)[*:1])Nc1ccccc1
O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cn1c(=O)n(CC(=O)N[*:1])c(=O)c2sccc21)Nc1ccccc1
O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccco1 O=C(C[*:1])Nc1ccccc1 O=C(Cn1c(=O)c2sccc2n(c1=O)[*:1])NCc1ccco1
O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccco1 c1ccc(cc1)[*:1] O=C(Cn1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O)NCc1ccco1
O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccco1 O=C(Nc1ccccc1)[*:1] O=C(Cn1c(=O)c2sccc2n(C[*:1])c1=O)NCc1ccco1
O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccco1 c1coc(c1)[*:1] O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O)NC[*:1]
O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=C(Cn1c(=O)n(C[*:1])c(=O)c2sccc21)Nc1ccccc1
CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 CC(=O)[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)Nc1ccccc1OC(F)F
CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 FC(F)[*:1] CC(=O)c1ccc(cc1)O[C@@H](C)C(=O)Nc1ccccc1O[*:1]
CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 FC(F)O[*:1] CC(=O)c1ccc(cc1)O[C@@H](C)C(=O)Nc1ccccc1[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)C[C@@H](C)Cc1ccccc1OC COc1ccccc1[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)C[C@@H](C)C[*:1]
Cc1ccc([C@@H](C)[NH2+]C/C=C/c2ccc(C#N)cc2)s1 Cc1ccc(s1)[*:1] C[C@@H]([NH2+]C/C=C/c1ccc(C#N)cc1)[*:1]
CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 CCO[*:1] O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(cc3)[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(cc3)[*:1])[C@@H]2C1=O
CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 CCOc1ccc(cc1)[*:1] O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(cc3)[N+](=O)[O-])[C@@H]2C(=O)N1[*:1]
CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)[C@H]2ON(c3ccccc3)[C@H]([C@@H]2C1=O)[*:1]
CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)[C@H]2ON([C@H](c3ccc(cc3)[N+](=O)[O-])[C@@H]2C1=O)[*:1]
Cc1cc(-c2c(-c3ccccc3)ncn2CCCO)cc(C)c1O OCC[*:1] Cc1cc(cc(C)c1O)-c1c(ncn1C[*:1])-c1ccccc1
Cc1cc(-c2c(-c3ccccc3)ncn2CCCO)cc(C)c1O c1ccc(cc1)[*:1] Cc1cc(cc(C)c1O)-c1c(ncn1CCCO)[*:1]
Cc1cc(-c2c(-c3ccccc3)ncn2CCCO)cc(C)c1O OCCC[*:1] Cc1cc(cc(C)c1O)-c1c(ncn1[*:1])-c1ccccc1
N#Cc1cccc(NNC(=O)NCc2cn3cc(Cl)ccc3n2)c1 N#Cc1cccc(c1)[*:1] O=C(NCc1cn2cc(Cl)ccc2n1)NN[*:1]
O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CCOC[C@@H]2C2CC2)c1 C1CC1[*:1] O=C(CCn1cc[nH+]c1)Nc1cccc(c1)C(=O)N1CCOC[C@H]1[*:1]
C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 Brc1ccccc1[*:1] C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 C[C@@H](C1CC1)[*:1] CN(C(=O)[C@H]1CC(=O)N(C1)c1ccccc1Br)[*:1]
C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 C1CC1[*:1] C[C@@H](N(C)C(=O)[C@H]1CC(=O)N(C1)c1ccccc1Br)[*:1]
COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C Clc1ccc(cc1)[*:1] COc1ccccc1N1CCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C Clc1ccc(cc1)C[*:1] COc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C COc1ccccc1[*:1] Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1N(CCn12)[*:1]
CC(C)c1ccc([C@@H]2C[NH2+][C@H](C)CO2)cc1 CC(C)[*:1] C[C@@H]1CO[C@@H](C[NH2+]1)c1ccc(cc1)[*:1]
CC(=O)Nc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 CC(=O)N[*:1] O=C([O-])c1cccc(c1)S(=O)(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 O=C([O-])[*:1] CC(=O)Nc1cccc(c1)NS(=O)(=O)c1cccc(c1)[*:1]
Cc1nc(C)c(CNC(=O)c2cc(C3CC3)nc3ccc(F)cc23)s1 C1CC1[*:1] Cc1nc(C)c(CNC(=O)c2cc(nc3ccc(F)cc23)[*:1])s1
Cc1nc(C)c(CNC(=O)c2cc(C3CC3)nc3ccc(F)cc23)s1 Cc1nc(C)c(s1)[*:1] O=C(NC[*:1])c1cc(nc2ccc(F)cc12)C1CC1
Cc1nc(C)c(CNC(=O)c2cc(C3CC3)nc3ccc(F)cc23)s1 Cc1nc(C)c(C[*:1])s1 O=C(N[*:1])c1cc(nc2ccc(F)cc12)C1CC1
C[C@@H](NC(=O)N[C@H]1CCCc2c1cnn2C)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@@H](NC(=O)N[C@H]1CCCc2c1cnn2C)C(=O)N[*:1]
C[C@@H](NC(=O)N[C@H]1CCCc2c1cnn2C)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)N[C@H]1CCCc2c1cnn2C)C(=O)NC[*:1]
CCc1sc(-c2nnc(Cn3cnnc3C#N)o2)cc1C N#Cc1nncn1[*:1] CCc1sc(cc1C)-c1nnc(C[*:1])o1
CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(=O)[nH]2)sc2c1CCCC2 Cc1cc(=O)[nH]c(n1)S[*:1] CCOC(=O)c1c(NC(=O)C[*:1])sc2CCCCc21
CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(=O)[nH]2)sc2c1CCCC2 CCOC(=O)[*:1] Cc1cc(=O)[nH]c(n1)SCC(=O)Nc1sc2CCCCc2c1[*:1]
CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(=O)[nH]2)sc2c1CCCC2 Cc1cc(=O)[nH]c(n1)[*:1] CCOC(=O)c1c(NC(=O)CS[*:1])sc2CCCCc21
COc1ccc(CC(=O)N[C@H](C)C(=O)[O-])cc1F O=C([O-])[*:1] COc1ccc(cc1F)CC(=O)N[C@H](C)[*:1]
CCOCC[NH2+]Cc1ccc([S@](C)=O)cc1 CCOC[*:1] C[S@](=O)c1ccc(cc1)C[NH2+]C[*:1]
CCOCC[NH2+]Cc1ccc([S@](C)=O)cc1 CCO[*:1] C[S@](=O)c1ccc(cc1)C[NH2+]CC[*:1]
CCOCC[NH2+]Cc1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CCOCC[NH2+]Cc1ccc(cc1)[*:1]
CCOCC[NH2+]Cc1ccc([S@](C)=O)cc1 CCOCC[*:1] C[S@](=O)c1ccc(cc1)C[NH2+][*:1]
CC(C)(C)[C@]1([C@H]2CCc3cccnc32)CCC[NH2+]1 CC(C)(C)[*:1] c1cnc2c(c1)CC[C@@H]2[C@@]1(CCC[NH2+]1)[*:1]
CCOC(=O)[C@H]1CCCCN1Cc1ccc(Cl)cc1Cl CCOC(=O)[*:1] Clc1ccc(CN2CCCC[C@@H]2[*:1])c(Cl)c1
CC[NH2+][C@@H]([C@H]1CCC[C@H](CC)C1)C(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] CC[NH2+][C@@H]([C@H]1CCC[C@H](CC)C1)C(C)(C)[*:1]
O=C(NCCc1cccc(O)c1)N1CCn2c(nnc2-c2ccccc2)C1 Oc1cccc(c1)CC[*:1] O=C(N[*:1])N1CCn2c(C1)nnc2-c1ccccc1
O=C(NCCc1cccc(O)c1)N1CCn2c(nnc2-c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCCc1cccc(O)c1)N1CCn2c(C1)nnc2[*:1]
O=C(NCCc1cccc(O)c1)N1CCn2c(nnc2-c2ccccc2)C1 Oc1cccc(c1)[*:1] O=C(NCC[*:1])N1CCn2c(C1)nnc2-c1ccccc1
O=C(NCCc1cccc(O)c1)N1CCn2c(nnc2-c2ccccc2)C1 Oc1cccc(c1)C[*:1] O=C(NC[*:1])N1CCn2c(C1)nnc2-c1ccccc1
COC(=O)c1cc(N2CCO[C@H](C(N)=S)C2)cc[nH+]1 NC(=S)[*:1] COC(=O)c1cc(cc[nH+]1)N1CCO[C@H](C1)[*:1]
COC(=O)c1cc(N2CCO[C@H](C(N)=S)C2)cc[nH+]1 COC(=O)[*:1] NC(=S)[C@@H]1CN(CCO1)c1cc[nH+]c(c1)[*:1]
C[C@H](NC(=O)CN1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] C[C@H](NC(=O)CN1CCN(CC1)c1cccc[nH+]1)[*:1]
CC(C)CC(C)(C)CNC(=O)CNC(=O)c1cc2ccccc2[nH]1 CC(C)C[*:1] CC(C)(CNC(=O)CNC(=O)c1cc2ccccc2[nH]1)[*:1]
CC(C)CC(C)(C)CNC(=O)CNC(=O)c1cc2ccccc2[nH]1 CC(C)CC(C)(C)C[*:1] O=C(CNC(=O)c1cc2ccccc2[nH]1)N[*:1]
CC(C)CC(C)(C)CNC(=O)CNC(=O)c1cc2ccccc2[nH]1 CC(C)CC(C)(C)[*:1] O=C(CNC(=O)c1cc2ccccc2[nH]1)NC[*:1]
CC(C)CC(C)(C)CNC(=O)CNC(=O)c1cc2ccccc2[nH]1 CC(C)[*:1] CC(C)(CNC(=O)CNC(=O)c1cc2ccccc2[nH]1)C[*:1]
CC(C)NC(=O)C1=NN(C)C(=O)CC1 CC(C)[*:1] CN1N=C(CCC1=O)C(=O)N[*:1]
COc1ccc(CNC(=O)N2CCO[C@H](C)C2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CNC(=O)N1CCO[C@H](C)C1
COc1ccc(CNC(=O)N2CCO[C@H](C)C2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CNC(=O)N1CCO[C@H](C)C1
O=C(NCCc1c[nH]c2ccccc12)[C@H]1C=C2N=C(c3ccc(F)cc3)C=C(C(F)(F)F)N2N1 FC(F)(F)[*:1] O=C(NCCc1c[nH]c2ccccc12)[C@H]1C=C2N=C(C=C(N2N1)[*:1])c1ccc(F)cc1
O=C(NCCc1c[nH]c2ccccc12)[C@H]1C=C2N=C(c3ccc(F)cc3)C=C(C(F)(F)F)N2N1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])[C@H]1C=C2N=C(C=C(N2N1)C(F)(F)F)c1ccc(F)cc1
O=C(NCCc1c[nH]c2ccccc12)[C@H]1C=C2N=C(c3ccc(F)cc3)C=C(C(F)(F)F)N2N1 c1ccc2c(c[nH]c2c1)CC[*:1] O=C(N[*:1])[C@H]1C=C2N=C(C=C(N2N1)C(F)(F)F)c1ccc(F)cc1
O=C(NCCc1c[nH]c2ccccc12)[C@H]1C=C2N=C(c3ccc(F)cc3)C=C(C(F)(F)F)N2N1 c1ccc2c(c[nH]c2c1)C[*:1] O=C(NC[*:1])[C@H]1C=C2N=C(C=C(N2N1)C(F)(F)F)c1ccc(F)cc1
O=C(NCCc1c[nH]c2ccccc12)[C@H]1C=C2N=C(c3ccc(F)cc3)C=C(C(F)(F)F)N2N1 Fc1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccccc12)[C@H]1C=C2N=C(C=C(N2N1)C(F)(F)F)[*:1]
Cc1cccc(C(C)(C)NC(=O)Nc2cccc(N3CCNC3=O)c2)c1 O=C1NCCN1[*:1] Cc1cccc(c1)C(C)(C)NC(=O)Nc1cccc(c1)[*:1]
Cc1cccc(C(C)(C)NC(=O)Nc2cccc(N3CCNC3=O)c2)c1 Cc1cccc(c1)[*:1] CC(C)(NC(=O)Nc1cccc(c1)N1CCNC1=O)[*:1]
COc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)Nc1cncc(c1)C(=O)N[*:1]
COc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c(OC)c1 Cc1ccc(c(C)c1)[*:1] COc1ccc(NC(=O)c2cncc(c2)NS(=O)(=O)[*:1])c(c1)OC
CCc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)s1 Fc1ccccc1[*:1] CCc1ccc(CNC(=O)N2CCN(CC2)S(=O)(=O)[*:1])s1
CCc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)s1 CCc1ccc(s1)[*:1] O=C(NC[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1F
CCc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)s1 CCc1ccc(C[*:1])s1 O=C(N[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1F
Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)[*:1])-c1ccc(=O)[nH]n1
Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N(C)c1ccccc1 O=c1ccc(n[nH]1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)c1ccccc1)[*:1]
CC(C)N(C(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(C)c1)C(C)C CC(C)N(C(=O)[*:1])C(C)C Cn1cc(cc(NC(=O)c2ccc(cc2)C(C)(C)C)c1=O)[*:1]
CC(C)N(C(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(C)c1)C(C)C CC(C)[*:1] CC(C)N(C(=O)c1cc(NC(=O)c2ccc(cc2)C(C)(C)C)c(=O)n(C)c1)[*:1]
CC(C)N(C(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(C)c1)C(C)C CC(C)(C)[*:1] CC(C)N(C(=O)c1cc(NC(=O)c2ccc(cc2)[*:1])c(=O)n(C)c1)C(C)C
CC(C)N(C(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(C)c1)C(C)C CC(C)(C)c1ccc(cc1)[*:1] CC(C)N(C(=O)c1cc(NC(=O)[*:1])c(=O)n(C)c1)C(C)C
Cc1ccc(CNC(=O)NC[C@@H](O)c2ccsc2)c(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(CNC(=O)NC[C@@H](O)c2ccsc2)c(c1)O[*:1]
Cc1ccc(CNC(=O)NC[C@@H](O)c2ccsc2)c(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1ccc(CNC(=O)NC[C@@H](O)c2ccsc2)c(c1)[*:1]
Cc1ccc(CNC(=O)NC[C@@H](O)c2ccsc2)c(OC(C)(C)C)c1 c1cc(cs1)[*:1] Cc1ccc(CNC(=O)NC[C@@H](O)[*:1])c(c1)OC(C)(C)C
CN(Cc1nccs1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] c1csc(n1)[*:1] CN(C[*:1])S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]
CN(Cc1nccs1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(Cc1nccs1)S(=O)(=O)c1cc(Cl)ccc1[*:1]
CN(Cc1nccs1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] c1csc(C[*:1])n1 CN(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[*:1]
O[C@H]1[C@H](n2cc(-c3ccsc3)nn2)c2ccccc2C12CC[NH2+]CC2 c1cc(cs1)[*:1] O[C@H]1[C@@H](c2ccccc2C12CC[NH2+]CC2)n1cc(nn1)[*:1]
CCC(CC)(NC(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)c1ccc(cc1)NC(C)=O)[*:1]
CCC(CC)(NC(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-] CC(=O)N[*:1] CCC(CC)(NC(=O)c1ccc(cc1)[*:1])C(=O)[O-]
CCCNC(=O)CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 CCCNC(=O)C[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(CC1)[*:1]
CCCNC(=O)CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 CCC[*:1] O=C(CN1CCN(CC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-])N[*:1]
CCCNC(=O)CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CCCNC(=O)CN1CCN(CC1)C(=O)/C=C/c1ccccc1[*:1]
CCCNC(=O)CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 CCCNC(=O)[*:1] O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(CC1)C[*:1]
C=CCNC(=S)N1N=C(c2ccco2)C[C@H]1c1ccco1 c1coc(c1)[*:1] C=CCNC(=S)N1N=C(C[C@@H]1[*:1])c1ccco1
C=CCNC(=S)N1N=C(c2ccco2)C[C@H]1c1ccco1 c1coc(c1)[*:1] C=CCNC(=S)N1N=C(C[C@H]1c1ccco1)[*:1]
C=CCNC(=S)N1N=C(c2ccco2)C[C@H]1c1ccco1 C=CC[*:1] S=C(N[*:1])N1N=C(C[C@H]1c1ccco1)c1ccco1
N/C(=[NH+]/NC(=S)N1CCN(c2ccccc2)CC1)c1cncc(N2CCc3ccccc3C2)n1 c1ccc2CN(CCc2c1)[*:1] N/C(=[NH+]/NC(=S)N1CCN(CC1)c1ccccc1)c1cncc(n1)[*:1]
N/C(=[NH+]/NC(=S)N1CCN(c2ccccc2)CC1)c1cncc(N2CCc3ccccc3C2)n1 c1ccc(cc1)[*:1] N/C(=[NH+]/NC(=S)N1CCN(CC1)[*:1])c1cncc(n1)N1CCc2ccccc2C1
COC(=O)[C@@H](N[C@@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C CC(C)[*:1] COC(=O)[C@@H](N[C@@H](C)C[C@H]1CCCCC[NH2+]1)[*:1]
COC(=O)[C@@H](N[C@@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C COC(=O)[*:1] CC(C)[C@H](N[C@@H](C)C[C@H]1CCCCC[NH2+]1)[*:1]
Cc1cccc(CS(=O)(=O)N(CC(C)C)CC(C)C)c1 CC(C)[*:1] Cc1cccc(c1)CS(=O)(=O)N(CC(C)C)C[*:1]
Cc1cccc(CS(=O)(=O)N(CC(C)C)CC(C)C)c1 CC(C)C[*:1] Cc1cccc(c1)CS(=O)(=O)N(CC(C)C)[*:1]
COc1cc(C#N)ccc1OC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1 Clc1ccc(s1)[*:1] COc1cc(C#N)ccc1OC(=O)[C@@H]1CC(=NO1)[*:1]
CC(=O)NCC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 CC(=O)NC[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)OCc1ccccn1
CC(=O)NCC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(nc1)[*:1] CC(=O)NCC(=O)N[C@H](C)c1cccc(c1)OC[*:1]
CC(=O)NCC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 CC(=O)NCC(=O)N[*:1] C[C@H](c1cccc(c1)OCc1ccccn1)[*:1]
CC(=O)NCC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(C[*:1])nc1 CC(=O)NCC(=O)N[C@H](C)c1cccc(c1)O[*:1]
CC(=O)NCC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 CC(=O)N[*:1] C[C@@H](NC(=O)C[*:1])c1cccc(c1)OCc1ccccn1
CC(=O)NCC(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(CO[*:1])nc1 CC(=O)NCC(=O)N[C@H](C)c1cccc(c1)[*:1]
C#CCN(C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C#CCN(C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC)[*:1]
C#CCN(C(=O)N[C@H]1CCCC[C@@H]1[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 CC[S@](=O)[*:1] C#CCN(C(=O)N[C@H]1CCCC[C@H]1[*:1])[C@@H]1CCS(=O)(=O)C1
CCN(C(=O)C[NH+](CC)Cc1ccccc1C)C1CC1 C1CC1[*:1] CCN(C(=O)C[NH+](CC)Cc1ccccc1C)[*:1]
O=C([O-])[C@H](S)c1ccccc1 O=C([O-])[*:1] S[C@H](c1ccccc1)[*:1]
C[C@@H](Cc1cccnc1)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 C1CC1[*:1] C[C@@H](Cc1cccnc1)NC(=O)c1cccc(c1)OC1CCN(CC1)C(=O)[*:1]
C[C@@H](Cc1cccnc1)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 c1cncc(c1)[*:1] C[C@@H](C[*:1])NC(=O)c1cccc(c1)OC1CCN(CC1)C(=O)C1CC1
C[C@@H](Cc1cccnc1)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 c1cncc(c1)C[*:1] C[C@@H](NC(=O)c1cccc(c1)OC1CCN(CC1)C(=O)C1CC1)[*:1]
COC(=O)c1cccc(C)c1NC(=O)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] COC(=O)c1cccc(C)c1NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1cccc(C)c1NC(=O)c1ccc(N2CCCC2=O)cc1 COC(=O)[*:1] Cc1cccc(c1NC(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
Cc1ccc(C)c(N2CCN(C(=O)Cn3ncc4c(C)n(Cc5ccccc5)c(C)c4c3=O)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cc1c2cnn(CC(=O)N3CCN(CC3)[*:1])c(=O)c2c(C)n1Cc1ccccc1
Cc1ccc(C)c(N2CCN(C(=O)Cn3ncc4c(C)n(Cc5ccccc5)c(C)c4c3=O)CC2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)Cn1ncc2c(C)n(c(C)c2c1=O)[*:1]
Cc1ccc(C)c(N2CCN(C(=O)Cn3ncc4c(C)n(Cc5ccccc5)c(C)c4c3=O)CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)Cn1ncc2c(C)n(C[*:1])c(C)c2c1=O
CC(C)(C)[C@@H]1CC(C(=O)[O-])C[C@@H](C(C)(C)C)C1 CC(C)(C)[*:1] CC(C)(C)[C@@H]1CC(C[C@H](C1)[*:1])C(=O)[O-]
CC(C)(C)[C@@H]1CC(C(=O)[O-])C[C@@H](C(C)(C)C)C1 O=C([O-])[*:1] CC(C)(C)[C@@H]1CC(C[C@H](C1)C(C)(C)C)[*:1]
COCC(=O)NCc1cc2n(n1)CCC[NH+](Cc1ccc3occc3c1)C2 COC[*:1] O=C(NCc1cc2C[NH+](CCCn2n1)Cc1ccc2occc2c1)[*:1]
COCC(=O)NCc1cc2n(n1)CCC[NH+](Cc1ccc3occc3c1)C2 c1cc2cc(ccc2o1)[*:1] COCC(=O)NCc1cc2C[NH+](CCCn2n1)C[*:1]
COCC(=O)NCc1cc2n(n1)CCC[NH+](Cc1ccc3occc3c1)C2 COCC(=O)NC[*:1] c1cc2cc(ccc2o1)C[NH+]1CCCn2nc(cc2C1)[*:1]
COCC(=O)NCc1cc2n(n1)CCC[NH+](Cc1ccc3occc3c1)C2 COCC(=O)N[*:1] c1cc2cc(ccc2o1)C[NH+]1CCCn2nc(cc2C1)C[*:1]
CCN(CC)c1ccc(-c2noc(C[NH+]3CCC4(CC3)OCCO4)n2)c[nH+]1 CCN(CC)[*:1] c1cc([nH+]cc1-c1noc(C[NH+]2CCC3(CC2)OCCO3)n1)[*:1]
CCCc1cc(=O)[nH]c(SC[C@H](CS)C(C)(C)C)n1 CCC[*:1] CC(C)(C)[C@@H](CS)CSc1nc(cc(=O)[nH]1)[*:1]
CCCc1cc(=O)[nH]c(SC[C@H](CS)C(C)(C)C)n1 CC(C)(C)[*:1] CCCc1cc(=O)[nH]c(n1)SC[C@H](CS)[*:1]
Cn1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1=O O=C([O-])[*:1] Cn1ccc(cc1=O)C(=O)N[C@H]1CCCCC[C@@H]1[*:1]
COc1ccc([C@H](C)NC(=O)[C@H]2CCC(=O)N2)cc1Br O=C1CC[C@@H](N1)[*:1] COc1ccc(cc1Br)[C@H](C)NC(=O)[*:1]
CC[C@@H](C)NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1CC CC[C@@H](C)NC(=O)[*:1] CCn1c(cc2cc(ccc21)S(=O)(=O)N(C)C)[*:1]
CC[C@@H](C)NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1CC CN(C)S(=O)(=O)[*:1] CC[C@@H](C)NC(=O)c1cc2cc(ccc2n1CC)[*:1]
CC[C@@H](C)NC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1CC CC[C@@H](C)[*:1] CCn1c(cc2cc(ccc21)S(=O)(=O)N(C)C)C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)cc1 CC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H]1CCCC[C@H]1OC1CCCC1
CC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)cc1 C1CCC(C1)[*:1] CC(=O)c1ccc(cc1)NC(=O)N[C@H]1CCCC[C@H]1O[*:1]
CC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)cc1 C1CCC(C1)O[*:1] CC(=O)c1ccc(cc1)NC(=O)N[C@H]1CCCC[C@@H]1[*:1]
O=c1c2[nH]c3ccc(F)cc3c2ncn1CCO OCC[*:1] O=c1c2[nH]c3ccc(F)cc3c2ncn1[*:1]
O=C1Nc2ccccc2NC12CCN(c1nnnn1-c1ccccc1)CC2 c1ccc(cc1)[*:1] O=C1Nc2ccccc2NC12CCN(CC2)c1nnnn1[*:1]
COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1OC Cc1ccccc1[*:1] COc1ccc(cc1OC)C[NH+]1CCN(CC1)[*:1]
O=C(c1cccc(Cl)c1)N1CCN(c2nc(C3CC3)no2)CC1 C1CC1[*:1] O=C(c1cccc(Cl)c1)N1CCN(CC1)c1nc(no1)[*:1]
O=C(c1cccc(Cl)c1)N1CCN(c2nc(C3CC3)no2)CC1 Clc1cccc(c1)[*:1] O=C(N1CCN(CC1)c1nc(no1)C1CC1)[*:1]
COc1ccc(CC(=O)NCC2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C[*:1])NCC1CCN(CC1)C(=O)c1cc2ccccc2o1
COc1ccc(CC(=O)NCC2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1OC c1ccc2oc(cc2c1)[*:1] COc1ccc(cc1OC)CC(=O)NCC1CCN(CC1)C(=O)[*:1]
O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1ccnc(OC2CCC2)c1 O=C(N[*:1])C1CC1 O=C(Oc1ccc(cc1)[*:1])c1ccnc(c1)OC1CCC1
O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1ccnc(OC2CCC2)c1 C1CC1[*:1] O=C(Oc1ccc(cc1)NC(=O)[*:1])c1ccnc(c1)OC1CCC1
O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] O=C(Oc1ccc(cc1)NC(=O)C1CC1)c1ccnc(c1)[*:1]
O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] O=C(Oc1ccc(cc1)NC(=O)C1CC1)c1ccnc(c1)O[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O CC[C@@H](C)[*:1] C[C@H](C[*:1])NC(=O)CN1CCC(=O)NC1=O
CC[C@@H](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O CC[C@@H](C)C[*:1] C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[*:1]
CCNC(=O)c1cccc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c1 CCNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCO[C@H](C1)c1cccc(F)c1
CCNC(=O)c1cccc(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c1 Fc1cccc(c1)[*:1] CCNC(=O)c1cccc(c1)NC(=O)N1CCO[C@@H](C1)[*:1]
N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc2nnc(C(F)F)n2n1 c1ccc(cc1)[*:1] N#C[C@@H]([C@H]1CCCN1c1ccc2nnc(C(F)F)n2n1)[*:1]
N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc2nnc(C(F)F)n2n1 FC(F)[*:1] N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc2nnc(n2n1)[*:1]
C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)C[C@@H](C)O1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2C[*:1])C[C@@H](C)O1
C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)C[C@@H](C)O1 Fc1ccc(cc1)C[*:1] C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2[*:1])C[C@@H](C)O1
CCNC(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)s2)c1 C1CC1c1nnc(s1)[*:1] CCNC(=O)c1cccc(c1)NC(=O)CS[*:1]
CCNC(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)s2)c1 CCNC(=O)[*:1] O=C(CSc1nnc(s1)C1CC1)Nc1cccc(c1)[*:1]
CCNC(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)s2)c1 C1CC1[*:1] CCNC(=O)c1cccc(c1)NC(=O)CSc1nnc(s1)[*:1]
Cc1cc2ccccc2n1CC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] Cc1cc2ccccc2n1CC(=O)N[C@@H](CO)C[*:1]
CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H](C)Sc2ccccn2)C1 CCS[*:1] C[C@@H](Sc1ccccn1)C(=O)N(C)[C@H]1CC[C@H](C1)[*:1]
CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H](C)Sc2ccccn2)C1 c1ccc(nc1)S[*:1] CCS[C@@H]1CC[C@@H](C1)N(C)C(=O)[C@@H](C)[*:1]
CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H](C)Sc2ccccn2)C1 c1ccc(nc1)[*:1] CCS[C@@H]1CC[C@@H](C1)N(C)C(=O)[C@@H](C)S[*:1]
COc1cccc(C2(C(=O)NCC(N)=O)CCCC2)c1 NC(=O)C[*:1] COc1cccc(c1)C1(CCCC1)C(=O)N[*:1]
COc1cccc(C2(C(=O)NCC(N)=O)CCCC2)c1 NC(=O)[*:1] COc1cccc(c1)C1(CCCC1)C(=O)NC[*:1]
COC[C@@H](NC(=O)c1ccccc1)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])c1ccccc1
COC[C@@H](NC(=O)c1ccccc1)c1ccc(F)c(F)c1 c1ccc(cc1)[*:1] COC[C@@H](NC(=O)[*:1])c1ccc(F)c(F)c1
CN(C[C@H]1CCOC1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)(C)[*:1] CN(C[C@H]1CCOC1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CN(C[C@H]1CCOC1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 CC(C)(C)NC(=O)[*:1] CN(C[C@H]1CCOC1)C(=O)Nc1cccc(c1)[*:1]
CC(C)N(Cc1cccnc1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] CC(C)N(Cc1cccnc1)C(=O)Nc1cnn(c1)[*:1]
CC(C)N(Cc1cccnc1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 c1cncc(c1)[*:1] CC(C)N(C[*:1])C(=O)Nc1cnn(c1)C[C@H]1CCCO1
CC(C)N(Cc1cccnc1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 CC(C)[*:1] O=C(Nc1cnn(c1)C[C@H]1CCCO1)N(Cc1cccnc1)[*:1]
CC(C)N(Cc1cccnc1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 c1cncc(c1)C[*:1] CC(C)N(C(=O)Nc1cnn(c1)C[C@H]1CCCO1)[*:1]
O=[N+]([O-])c1ccccc1SN1CCc2ccccc2C1 O=[N+]([O-])[*:1] c1ccc2CN(CCc2c1)Sc1ccccc1[*:1]
NC(=O)c1cc(S(N)(=O)=O)ccc1Cl NC(=O)[*:1] NS(=O)(=O)c1ccc(Cl)c(c1)[*:1]
NC(=O)c1cc(S(N)(=O)=O)ccc1Cl NS(=O)(=O)[*:1] NC(=O)c1cc(ccc1Cl)[*:1]
Cc1sc(NC(=O)C(F)(F)F)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 O=C(N[*:1])C(F)(F)F Cc1sc(nc1-c1ccc2O[C@@H](C)C(=O)Nc2c1)[*:1]
Cc1sc(NC(=O)C(F)(F)F)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 FC(F)(F)[*:1] Cc1sc(nc1-c1ccc2O[C@@H](C)C(=O)Nc2c1)NC(=O)[*:1]
COC(C)(C)c1noc(-c2cc(NC(=O)NC(C)(C)C)ccc2Cl)n1 CC(C)(C)NC(=O)N[*:1] COC(C)(C)c1noc(n1)-c1cc(ccc1Cl)[*:1]
COC(C)(C)c1noc(-c2cc(NC(=O)NC(C)(C)C)ccc2Cl)n1 CC(C)(C)[*:1] COC(C)(C)c1noc(n1)-c1cc(ccc1Cl)NC(=O)N[*:1]
COC(C)(C)c1noc(-c2cc(NC(=O)NC(C)(C)C)ccc2Cl)n1 COC(C)(C)[*:1] CC(C)(C)NC(=O)Nc1ccc(Cl)c(c1)-c1nc(no1)[*:1]
Cc1cccc(OCC(=O)Nc2nonc2C)c1 Cc1nonc1[*:1] Cc1cccc(c1)OCC(=O)N[*:1]
C[NH2+][C@@H](CC[C@@H]1CCCc2cccnc21)C(C)(C)C CC(C)(C)[*:1] C[NH2+][C@@H](CC[C@@H]1CCCc2cccnc21)[*:1]
Cc1ncsc1CNC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C Cc1ncsc1[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NC[*:1]
Cc1ncsc1CNC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C Cc1ncsc1C[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[*:1]
Cc1nc(N)sc1-c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] Cc1nc(N)sc1-c1ccc(o1)[*:1]
C[C@H](OCC(F)(F)F)C(=O)Oc1ccc2c(c1)CCC(=O)N2 FC(F)(F)C[*:1] C[C@H](O[*:1])C(=O)Oc1ccc2NC(=O)CCc2c1
C[C@H](OCC(F)(F)F)C(=O)Oc1ccc2c(c1)CCC(=O)N2 FC(F)(F)CO[*:1] C[C@H](C(=O)Oc1ccc2NC(=O)CCc2c1)[*:1]
C[C@H](OCC(F)(F)F)C(=O)Oc1ccc2c(c1)CCC(=O)N2 FC(F)(F)[*:1] C[C@H](OC[*:1])C(=O)Oc1ccc2NC(=O)CCc2c1
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@@H]2C[C@@H]2c2ccccc2F)c(F)c1 Fc1ccccc1[*:1] Cc1ccc(c(F)c1)S(=O)(=O)/N=C(\[O-])[C@@H]1C[C@H]1[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@@H]2C[C@@H]2c2ccccc2F)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=S(=O)(/N=C(\[O-])[C@@H]1C[C@@H]1c1ccccc1F)[*:1]
CC[C@@H](CSC)N(C)C(=O)Cc1ccccc1C(F)(F)F FC(F)(F)[*:1] CC[C@@H](CSC)N(C)C(=O)Cc1ccccc1[*:1]
CC[C@@H](CSC)N(C)C(=O)Cc1ccccc1C(F)(F)F CSC[*:1] CC[C@@H](N(C)C(=O)Cc1ccccc1C(F)(F)F)[*:1]
CCn1nnc2cc(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)ccc21 C1CCC(C1)[*:1] CCn1nnc2cc(ccc21)C(=O)Nc1ccc(O[*:1])c(F)c1
CCn1nnc2cc(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)ccc21 C1CCC(C1)O[*:1] CCn1nnc2cc(ccc21)C(=O)Nc1ccc(c(F)c1)[*:1]
COC(=O)c1ccc(Cn2c(C)csc2=O)nc1 COC(=O)[*:1] Cc1csc(=O)n1Cc1ccc(cn1)[*:1]
CC(C)[C@H](C)NC(=O)CSCc1coc(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CC(C)[C@H](C)NC(=O)CSCc1coc(n1)[*:1]
CC(C)[C@H](C)NC(=O)CSCc1coc(-c2cccc(Cl)c2)n1 CC(C)[*:1] C[C@H](NC(=O)CSCc1coc(n1)-c1cccc(Cl)c1)[*:1]
CC(C)[C@H](C)NC(=O)CSCc1coc(-c2cccc(Cl)c2)n1 CC(C)[C@H](C)[*:1] O=C(CSCc1coc(n1)-c1cccc(Cl)c1)N[*:1]
COCCC(=O)N1CCC([NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 COCC[*:1] C[C@H]([NH2+]C1CCN(CC1)C(=O)[*:1])c1nc2CCCCc2s1
COCCC(=O)N1CCC([NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 COC[*:1] C[C@H]([NH2+]C1CCN(CC1)C(=O)C[*:1])c1nc2CCCCc2s1
Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(N(C)C)nc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] CN(C)c1ccc(cn1)NC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(N(C)C)nc3)CC2=O)cc1 CN(C)[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)Nc1ccc(nc1)[*:1]
Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(N(C)C)nc3)CC2=O)cc1 Cc1ccc(cc1)C[*:1] CN(C)c1ccc(cn1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cc(C)n2nc(C(=O)Nc3cccc(/C=C/c4ccccn4)c3)nc2n1 c1ccc(nc1)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Nc1cccc(C=C[*:1])c1
Cc1cc(C)n2nc(C(=O)Nc3cccc(/C=C/c4ccccn4)c3)nc2n1 C(=C[*:1])c1ccccn1 Cc1cc(C)n2nc(nc2n1)C(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)n(-c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)n1 Cc1cc(C)n(n1)[*:1] O=C1CN(C(=O)c2ccc(cc2)[*:1])c2ccccc2N1
CC(C)(C)[C@H]1CCC[C@](O)(C2(C[NH3+])CCOCC2)CC1 CC(C)(C)[*:1] [NH3+]CC1(CCOCC1)[C@@]1(O)CCC[C@@H](CC1)[*:1]
Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCn4cccn4)CC3)CC2)n1 c1cnn(c1)[*:1] Cc1cccc(C[NH+]2CCC(CC2)[NH+]2CCC(CC2)C(=O)NCC[*:1])n1
Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCn4cccn4)CC3)CC2)n1 Cc1cccc(C[*:1])n1 O=C(NCCn1cccn1)C1CC[NH+](CC1)C1CC[NH+](CC1)[*:1]
Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCn4cccn4)CC3)CC2)n1 Cc1cccc(n1)[*:1] O=C(NCCn1cccn1)C1CC[NH+](CC1)C1CC[NH+](CC1)C[*:1]
Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCn4cccn4)CC3)CC2)n1 c1cnn(c1)C[*:1] Cc1cccc(C[NH+]2CCC(CC2)[NH+]2CCC(CC2)C(=O)NC[*:1])n1
Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCn4cccn4)CC3)CC2)n1 O=C(NCCn1cccn1)[*:1] Cc1cccc(C[NH+]2CCC(CC2)[NH+]2CCC(CC2)[*:1])n1
Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCn4cccn4)CC3)CC2)n1 c1cnn(c1)CC[*:1] Cc1cccc(C[NH+]2CCC(CC2)[NH+]2CCC(CC2)C(=O)N[*:1])n1
COc1cc(F)cc(CNC(=O)CCc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] COc1cc(F)cc(c1)CNC(=O)CC[*:1]
Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)CCc2ccccn2)s1 c1ccc(nc1)[*:1] Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)CC[*:1])s1
Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)CCc2ccccn2)s1 c1ccc(CC[*:1])nc1 Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)[*:1])s1
Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)CCc2ccccn2)s1 Cc1cnc(s1)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)CCc1ccccn1
Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)CCc2ccccn2)s1 c1ccc(C[*:1])nc1 Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)C[*:1])s1
COCCNc1nc(C)nc2c1CCN([C@H]1CCC[NH2+]C1)CC2 COCC[*:1] Cc1nc2CCN(CCc2c(n1)N[*:1])[C@H]1CCC[NH2+]C1
COCCNc1nc(C)nc2c1CCN([C@H]1CCC[NH2+]C1)CC2 COC[*:1] Cc1nc2CCN(CCc2c(n1)NC[*:1])[C@H]1CCC[NH2+]C1
COCCNc1nc(C)nc2c1CCN([C@H]1CCC[NH2+]C1)CC2 COCCN[*:1] Cc1nc2CCN(CCc2c(n1)[*:1])[C@H]1CCC[NH2+]C1
CCOC(=O)[C@@H](F)[C@@](C)(O)c1ccc(OC(C)C)cc1 CCOC(=O)[*:1] CC(C)Oc1ccc(cc1)[C@](C)(O)[C@H](F)[*:1]
CCOC(=O)[C@@H](F)[C@@](C)(O)c1ccc(OC(C)C)cc1 CC(C)O[*:1] CCOC(=O)[C@@H](F)[C@@](C)(O)c1ccc(cc1)[*:1]
CCOC(=O)[C@@H](F)[C@@](C)(O)c1ccc(OC(C)C)cc1 CC(C)[*:1] CCOC(=O)[C@@H](F)[C@@](C)(O)c1ccc(cc1)O[*:1]
Cc1ccccc1[C@@H]1C[C@H]1C(=O)OCc1ccc(-n2ccnc2)nc1 c1cn(cn1)[*:1] Cc1ccccc1[C@@H]1C[C@H]1C(=O)OCc1ccc(nc1)[*:1]
Cc1ccccc1[C@@H]1C[C@H]1C(=O)OCc1ccc(-n2ccnc2)nc1 Cc1ccccc1[*:1] O=C(OCc1ccc(nc1)-n1ccnc1)[C@@H]1C[C@H]1[*:1]
C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 O=C([O-])[*:1] C[C@]1([C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)c1ccccc1)O2)[*:1]
C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 c1ccc(cc1)[*:1] C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2
C[C@H]1CC[C@@H](OC(=O)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C[C@@H]1C FC(F)(F)[*:1] C[C@H]1CC[C@H](C[C@@H]1C)OC(=O)NC(C(F)(F)F)(C(F)(F)F)[*:1]
Cc1ccc([C@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C2CC2)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2cc(cnc2n(C)c1=O)C(=O)N[C@H](C1CC1)[*:1]
Cc1ccc([C@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[*:1]
CC[C@H](NC(=O)NNC(=O)COc1ccc(C#N)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@H](NC(=O)NNC(=O)COc1ccc(C#N)cc1)[*:1]
CC[C@H](NC(=O)NNC(=O)COc1ccc(C#N)cc1)c1cccc(Cl)c1 N#Cc1ccc(cc1)O[*:1] CC[C@H](NC(=O)NNC(=O)C[*:1])c1cccc(Cl)c1
CC[C@H](NC(=O)NNC(=O)COc1ccc(C#N)cc1)c1cccc(Cl)c1 N#Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)NNC(=O)CO[*:1])c1cccc(Cl)c1
COc1cccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC(C)C)c1OC CC(C)OC(=O)[*:1] COc1cccc(c1OC)[C@H]1NC(=O)N(C)C(C)=C1[*:1]
COc1cccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC(C)C)c1OC CC(C)[*:1] COc1cccc(c1OC)[C@H]1NC(=O)N(C)C(C)=C1C(=O)O[*:1]
Cc1ccc([C@@H]([NH2+]CCC(=O)Nc2cccc(C)n2)C2CC2)cc1 Cc1cccc(n1)[*:1] Cc1ccc(cc1)[C@@H]([NH2+]CCC(=O)N[*:1])C1CC1
Cc1ccc([C@@H]([NH2+]CCC(=O)Nc2cccc(C)n2)C2CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(n1)NC(=O)CC[NH2+][C@@H](C1CC1)[*:1]
Cc1ccc([C@@H]([NH2+]CCC(=O)Nc2cccc(C)n2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]([NH2+]CCC(=O)Nc1cccc(C)n1)[*:1]
COCc1nc(C)cc(N[C@@H](C)c2ccc3c(c2)OCCO3)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N[C@@H](C)c1ccc2OCCOc2c1
CCCCCNC(=O)NCC1([NH+](C)C)CCOCC1 CCC[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)NCC[*:1]
CCCCCNC(=O)NCC1([NH+](C)C)CCOCC1 CCCCC[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)N[*:1]
CCCCCNC(=O)NCC1([NH+](C)C)CCOCC1 CCCC[*:1] C[NH+](C)C1(CCOCC1)CNC(=O)NC[*:1]
CCOc1ccc2ccccc2c1/C=N/NC(=O)OC(C)(C)C CC(C)(C)[*:1] CCOc1ccc2ccccc2c1/C=N/NC(=O)O[*:1]
CCOc1ccc2ccccc2c1/C=N/NC(=O)OC(C)(C)C CCO[*:1] CC(C)(C)OC(=O)N/N=C/c1c(ccc2ccccc12)[*:1]
N#C[C@@H]1CN(C(=O)NCCCC(=O)[O-])CCO1 O=C([O-])CC[*:1] N#C[C@@H]1CN(CCO1)C(=O)NC[*:1]
N#C[C@@H]1CN(C(=O)NCCCC(=O)[O-])CCO1 O=C([O-])[*:1] N#C[C@@H]1CN(CCO1)C(=O)NCCC[*:1]
N#C[C@@H]1CN(C(=O)NCCCC(=O)[O-])CCO1 O=C([O-])C[*:1] N#C[C@@H]1CN(CCO1)C(=O)NCC[*:1]
O=C([C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCOC[C@@H]1C1CC1 C1CC1[*:1] O=C([C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCOC[C@H]1[*:1]
Cc1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1C)OCC(=O)NNC(=O)[*:1]
O=C(Nc1ccc([C@H]2C=c3cc(Cl)ccc3=[NH+]2)cc1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(cc1)[C@H]1C=c2cc(Cl)ccc2=[NH+]1)[*:1]
O=C(Nc1ccc([C@H]2C=c3cc(Cl)ccc3=[NH+]2)cc1)c1ccco1 O=C(N[*:1])c1ccco1 Clc1ccc2=[NH+][C@H](C=c2c1)c1ccc(cc1)[*:1]
CCOc1ccccc1OCc1cc(F)cc(Br)c1 CCO[*:1] Fc1cc(Br)cc(c1)COc1ccccc1[*:1]
CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CC[NH+]1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CC[*:1]
CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCC[*:1]
CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 c1ccc(cc1)CCC[*:1] CC[NH+]1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CC[NH+]1CCN(CC1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
COCCNC(=O)CNC(=O)c1ccc(C)nc1C COC[*:1] Cc1ccc(C(=O)NCC(=O)NC[*:1])c(C)n1
COCCNC(=O)CNC(=O)c1ccc(C)nc1C COCC[*:1] Cc1ccc(C(=O)NCC(=O)N[*:1])c(C)n1
CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 CCO[*:1] O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(cc1)[*:1]
Cc1nc[nH]c(=O)c1CCO OCC[*:1] Cc1nc[nH]c(=O)c1[*:1]
COC[C@@H](N[C@H](C)c1nc2c(s1)CCCC2)c1ccco1 COC[*:1] C[C@@H](N[C@@H](c1ccco1)[*:1])c1nc2CCCCc2s1
COC[C@@H](N[C@H](C)c1nc2c(s1)CCCC2)c1ccco1 c1coc(c1)[*:1] COC[C@@H](N[C@H](C)c1nc2CCCCc2s1)[*:1]
COC(=O)c1sc(S(=O)(=O)N(C)C)c(C(=O)OC)c1C CN(C)S(=O)(=O)[*:1] COC(=O)c1sc(c(C(=O)OC)c1C)[*:1]
COC(=O)c1sc(S(=O)(=O)N(C)C)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1c(sc(c1C)[*:1])S(=O)(=O)N(C)C
COC(=O)c1sc(S(=O)(=O)N(C)C)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1sc(c(c1C)[*:1])S(=O)(=O)N(C)C
CC(=O)Nc1ccc(C)c(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)c1 CC(=O)N[*:1] Cc1ccc(cc1NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)[*:1]
Cc1nn2ncc(C(=O)NCc3cccc(OCc4ccccc4)c3)c2[nH]1 c1ccc(cc1)[*:1] Cc1nn2ncc(C(=O)NCc3cccc(c3)OC[*:1])c2[nH]1
Cc1nn2ncc(C(=O)NCc3cccc(OCc4ccccc4)c3)c2[nH]1 c1ccc(cc1)CO[*:1] Cc1nn2ncc(C(=O)NCc3cccc(c3)[*:1])c2[nH]1
Cc1nn2ncc(C(=O)NCc3cccc(OCc4ccccc4)c3)c2[nH]1 c1ccc(cc1)C[*:1] Cc1nn2ncc(C(=O)NCc3cccc(c3)O[*:1])c2[nH]1
CC[C@H](O)[C@H](CC)c1ccccc1 CC[C@H](O)[*:1] CC[C@H](c1ccccc1)[*:1]
Cc1cc(NC(=O)C2CCCCC2)n(-c2ccccc2)n1 C1CCC(CC1)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ccccc1
Cc1cc(NC(=O)C2CCCCC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)C2CCCCC2)n(n1)[*:1]
O=C(NCC1(N2CCOCC2)CCCC1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 C1CN(CCO1)[*:1] O=C(NCC1(CCCC1)[*:1])[C@@H]1CCC(=O)N(Cc2ccccc2F)C1
O=C(NCC1(N2CCOCC2)CCCC1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 Fc1ccccc1[*:1] O=C(NCC1(CCCC1)N1CCOCC1)[C@@H]1CCC(=O)N(C1)C[*:1]
O=C(NCC1(N2CCOCC2)CCCC1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 Fc1ccccc1C[*:1] O=C(NCC1(CCCC1)N1CCOCC1)[C@@H]1CCC(=O)N(C1)[*:1]
C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] C[C@@H](OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)[*:1]
C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)C(=O)[*:1]
O=C([O-])c1ccccc1C(=O)Nc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)c1ccccc1[*:1]
O=C([O-])c1ccccc1C(=O)Nc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 O=C([O-])c1ccccc1[*:1] O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccc(cc1)NC(=O)[*:1]
CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(NC(=O)N(C)C)c2)cn1 CN(C)C(=O)N[*:1] CC(C)n1cc(cn1)[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(NC(=O)N(C)C)c2)cn1 CC(C)[*:1] C[C@H]([NH2+]Cc1cccc(c1)NC(=O)N(C)C)c1cnn(c1)[*:1]
CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(NC(=O)N(C)C)c2)cn1 CC(C)n1cc(cn1)[*:1] C[C@H]([NH2+]Cc1cccc(c1)NC(=O)N(C)C)[*:1]
CNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O CNC(=O)C[*:1] CS(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)[*:1]
CNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O CNC(=O)[*:1] CS(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)C[*:1]
CN(C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C1(C#N)CCC1 c1csc(c1)[*:1] CN(C(=O)c1cccc(c1)[N-]S(=O)(=O)[*:1])C1(C#N)CCC1
CN(C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C1(C#N)CCC1 N#CC1(CCC1)[*:1] CN(C(=O)c1cccc(c1)[N-]S(=O)(=O)c1cccs1)[*:1]
O=C([C@H](O)c1ccccc1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@H](O)c1ccccc1)N1CCN(CC1)[*:1]
O=C([C@H](O)c1ccccc1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C([C@H](O)[*:1])N1CCN(CC1)c1ccccc1
Cc1ccc2c(c1)CCN2C(=O)c1scnc1C Cc1ncsc1[*:1] Cc1ccc2c(c1)CCN2C(=O)[*:1]
COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccs1)N1N=CNC1=N2 COc1ccccc1[*:1] C1=NN2C(=NC3=C([C@H]2c2cccs2)[C@@H](Oc2ccccc23)[*:1])N1
COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccs1)N1N=CNC1=N2 c1csc(c1)[*:1] COc1ccccc1[C@@H]1Oc2ccccc2C2N=C3NC=NN3[C@H](C=21)[*:1]
Cc1ccc(NC(=O)CN2CCc3nc(NC(=O)c4cnccn4)sc3C2)cc1C O=C(N[*:1])c1cnccn1 Cc1ccc(cc1C)NC(=O)CN1CCc2nc(sc2C1)[*:1]
Cc1ccc(NC(=O)CN2CCc3nc(NC(=O)c4cnccn4)sc3C2)cc1C Cc1ccc(cc1C)[*:1] O=C(CN1CCc2nc(NC(=O)c3cnccn3)sc2C1)N[*:1]
Cc1ccc(NC(=O)CN2CCc3nc(NC(=O)c4cnccn4)sc3C2)cc1C c1cnc(cn1)[*:1] Cc1ccc(cc1C)NC(=O)CN1CCc2nc(NC(=O)[*:1])sc2C1
COc1ccc(N2C[C@H](C(=O)NNc3cccc(Cl)c3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(NNc1cccc(Cl)c1)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@H](C(=O)NNc3cccc(Cl)c3)CC2=O)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NN[*:1]
CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)on1 c1cncc(c1)[*:1] CC(C)c1cc(on1)C(=O)N1CCN(CC1)S(=O)(=O)c1cn(C)nc1[*:1]
CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)on1 CC(C)[*:1] Cn1cc(c(n1)-c1cccnc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)on1 CC(C)c1cc(on1)[*:1] Cn1cc(c(n1)-c1cccnc1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
O=C(CNC(=O)Nc1nccs1)Nc1ccc(O)cc1 c1csc(n1)[*:1] O=C(CNC(=O)N[*:1])Nc1ccc(O)cc1
CCC[C@H](C#N)NC(=O)c1ccccc1 CCC[*:1] N#C[C@H](NC(=O)c1ccccc1)[*:1]
C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)NC(=O)NCc1cccs1 c1csc(c1)[*:1] C[C@@H](Sc1ncn(n1)-c1ccccc1)C(=O)NC(=O)NC[*:1]
C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)NC(=O)NCc1cccs1 c1csc(c1)C[*:1] C[C@@H](Sc1ncn(n1)-c1ccccc1)C(=O)NC(=O)N[*:1]
C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)NC(=O)NCc1cccs1 c1ccc(cc1)[*:1] C[C@@H](Sc1ncn(n1)[*:1])C(=O)NC(=O)NCc1cccs1
CSCCCCNC(=O)CC1(O)CCCC1 CSCCC[*:1] O=C(CC1(O)CCCC1)NC[*:1]
CSCCCCNC(=O)CC1(O)CCCC1 CSC[*:1] O=C(CC1(O)CCCC1)NCCC[*:1]
CSCCCCNC(=O)CC1(O)CCCC1 CSCC[*:1] O=C(CC1(O)CCCC1)NCC[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ccnnc3C)CC2)cc1 Cc1nnccc1[*:1] CCOc1ccc(cc1)C1=CCN(CC1)C(=O)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ccnnc3C)CC2)cc1 CCO[*:1] Cc1nnccc1C(=O)N1CC=C(CC1)c1ccc(cc1)[*:1]
CC(C)CNC(=O)CSc1nnc(C2CC2)n1C C1CC1[*:1] CC(C)CNC(=O)CSc1nnc(n1C)[*:1]
CC(C)CNC(=O)CSc1nnc(C2CC2)n1C CC(C)C[*:1] Cn1c(nnc1C1CC1)SCC(=O)N[*:1]
CC(C)CNC(=O)CSc1nnc(C2CC2)n1C CC(C)[*:1] Cn1c(nnc1C1CC1)SCC(=O)NC[*:1]
CCC[C@H](NC(=O)[C@@H](C)CC1CCCC1)c1nnc2ccccn12 C1CCC(C1)C[*:1] CCC[C@H](NC(=O)[C@@H](C)[*:1])c1nnc2ccccn12
CCC[C@H](NC(=O)[C@@H](C)CC1CCCC1)c1nnc2ccccn12 CCC[*:1] C[C@@H](CC1CCCC1)C(=O)N[C@H](c1nnc2ccccn12)[*:1]
CCC[C@H](NC(=O)[C@@H](C)CC1CCCC1)c1nnc2ccccn12 C1CCC(C1)[*:1] CCC[C@H](NC(=O)[C@@H](C)C[*:1])c1nnc2ccccn12
CCC[C@H](NC(=O)[C@@H](C)CC1CCCC1)c1nnc2ccccn12 C[C@@H](CC1CCCC1)[*:1] CCC[C@H](NC(=O)[*:1])c1nnc2ccccn12
Cc1c[nH+]c(N2CCC(C#N)(c3ccccc3)CC2)nc1N(C)C c1ccc(cc1)[*:1] Cc1c[nH+]c(nc1N(C)C)N1CCC(C#N)(CC1)[*:1]
Cc1c[nH+]c(N2CCC(C#N)(c3ccccc3)CC2)nc1N(C)C CN(C)[*:1] Cc1c[nH+]c(nc1[*:1])N1CCC(C#N)(CC1)c1ccccc1
Cc1c(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)oc2c1C(=O)CCC2 Fc1ccc(cc1)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)NC[C@@H](C)O[*:1]
Cc1c(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)oc2c1C(=O)CCC2 Fc1ccc(cc1)O[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)NC[C@@H](C)[*:1]
C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)c2nccnc21 c1ccc(cc1)[*:1] C[NH+](C)CCn1nc(c2nccnc21)[C@@H]1CCN(C1)C(=O)[*:1]
CCOc1ccc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 CCO[*:1] O=C(CN1C(=O)CC2(CCCCC2)C1=O)c1ccc(cc1)[*:1]
CC[C@@](C)(Nc1nccs1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(Nc1nccs1)[*:1]
COc1ccc(C[C@@H](C)CN(C)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 COc1ccc(cc1)[*:1] C[C@@H](CN(C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C[*:1]
Cc1cc(C)cc(OCC[NH2+]C2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1cc(C)cc(c1)OCC[NH2+][*:1]
Cc1ccnn1-c1cc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)ncn1 Cc1ccnn1[*:1] O=C(CSc1cc(ncn1)[*:1])Nc1ccc(Cl)c(Cl)c1
Cc1ccnn1-c1cc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)ncn1 Clc1ccc(cc1Cl)[*:1] Cc1ccnn1-c1cc(ncn1)SCC(=O)N[*:1]
COc1ccc(-c2noc(N3CCC(C(=O)NCC[NH+](C)C)CC3)n2)cc1 COc1ccc(cc1)[*:1] C[NH+](C)CCNC(=O)C1CCN(CC1)c1nc(no1)[*:1]
CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1O CCO[*:1] O=C1CCCC2=C1[C@@H](Nc1ccc3ccccc3c12)c1ccc(O)c(c1)[*:1]
Cc1nnc(NC(=O)COc2c(C)ccc(C)c2C)s1 Cc1nnc(s1)[*:1] Cc1ccc(C)c(OCC(=O)N[*:1])c1C
CCCC[C@@H]1CCCN1C(=O)c1cc(-c2ccncc2)n[nH]1 CCC[*:1] O=C(c1cc(n[nH]1)-c1ccncc1)N1CCC[C@H]1C[*:1]
CCCC[C@@H]1CCCN1C(=O)c1cc(-c2ccncc2)n[nH]1 c1cc(ccn1)[*:1] CCCC[C@@H]1CCCN1C(=O)c1cc(n[nH]1)[*:1]
CCCC[C@@H]1CCCN1C(=O)c1cc(-c2ccncc2)n[nH]1 CCCC[*:1] O=C(c1cc(n[nH]1)-c1ccncc1)N1CCC[C@H]1[*:1]
Cc1sc(-c2ccncc2)nc1OC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1sc(nc1OC(=O)[*:1])-c1ccncc1
Cc1sc(-c2ccncc2)nc1OC(=O)c1ccc(Cl)cc1 c1cc(ccn1)[*:1] Cc1sc(nc1OC(=O)c1ccc(Cl)cc1)[*:1]
Cc1cccc(NC(=O)C[NH+](C)CC2=Cc3cc(Cl)ccc3OC2)n1 Cc1cccc(n1)[*:1] C[NH+](CC(=O)N[*:1])CC1=Cc2cc(Cl)ccc2OC1
Cc1cnn(C[C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)c1 CC(C)(C)[*:1] Cc1cnn(c1)C[C@@H](C)[NH2+]Cc1cnn(c1)[*:1]
Cc1cnn(C[C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)c1 Cc1cnn(c1)[*:1] C[C@H](C[*:1])[NH2+]Cc1cnn(c1)C(C)(C)C
Cc1ccc(NC(=O)C(=O)c2c(C)n(C)c3ccccc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1c(C(=O)C(=O)N[*:1])c2ccccc2n1C
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(C#N)o1 N#Cc1ccc(o1)[*:1] C[C@@H]1CN(CCN1C[*:1])C(=O)OC(C)(C)C
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(C#N)o1 CC(C)(C)[*:1] C[C@@H]1CN(CCN1Cc1ccc(C#N)o1)C(=O)O[*:1]
c1ccc(-c2cccc(C[NH2+][C@H]3CCc4ncnn4C3)c2)cc1 c1ccc(cc1)[*:1] c1cc(cc(c1)[*:1])C[NH2+][C@H]1CCc2ncnn2C1
C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NC[C@H](O)c1ccco1 c1ccc(cc1)[*:1] C[C@H](CN1CCN(CC1)[*:1])NC(=O)NC[C@H](O)c1ccco1
C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NC[C@H](O)c1ccco1 c1coc(c1)[*:1] C[C@H](CN1CCN(CC1)c1ccccc1)NC(=O)NC[C@H](O)[*:1]
CCOc1ccc(N2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 CCO[*:1] O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 O=[N+]([O-])[*:1] CCOc1ccc(cc1)N1C(=O)S/C(=C/c2ccccc2[*:1])C1=O
CC(C)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc2c(c1)OCCO2 CC(C)[*:1] O=C1CC[C@H](N1)C(=O)N[C@@H](c1ccc2OCCOc2c1)[*:1]
CC(C)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc2c(c1)OCCO2 O=C1CC[C@H](N1)[*:1] CC(C)[C@@H](NC(=O)[*:1])c1ccc2OCCOc2c1
Cc1cc(NC(=O)c2ccc(F)cc2I)n(-c2ccc(C(F)(F)F)cn2)n1 FC(F)(F)[*:1] Cc1cc(NC(=O)c2ccc(F)cc2I)n(n1)-c1ccc(cn1)[*:1]
Cc1cc(NC(=O)c2ccc(F)cc2I)n(-c2ccc(C(F)(F)F)cn2)n1 Fc1ccc(c(I)c1)[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1ccc(cn1)C(F)(F)F
Cc1oc(-c2ccsc2)nc1CC(=O)N(C)CC[NH+](C)C c1cc(cs1)[*:1] Cc1oc(nc1CC(=O)N(C)CC[NH+](C)C)[*:1]
O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1cc(cc(-c2ccccc2)[n+]1Cc1ccccc1)[*:1]
O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2Cc2ccccc2)cc1 O=[N+]([O-])[*:1] c1ccc(cc1)C[n+]1c(cc(cc1-c1ccc(cc1)[*:1])-c1ccccc1)-c1ccccc1
O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2Cc2ccccc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] c1ccc(cc1)C[n+]1c(cc(cc1[*:1])-c1ccccc1)-c1ccccc1
O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=[N+]([O-])c1ccc(cc1)-c1cc(cc(-c2ccccc2)[n+]1[*:1])-c1ccccc1
O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1cc(cc([n+]1Cc1ccccc1)[*:1])-c1ccccc1
O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1cc(cc(-c2ccccc2)[n+]1C[*:1])-c1ccccc1
COc1c(/C=N/NC(=O)c2ccccc2)c(C[C@@H](C)Cl)c(OC)c2c1OCO2 c1ccc(cc1)[*:1] COc1c(/C=N/NC(=O)[*:1])c(C[C@@H](C)Cl)c(OC)c2OCOc12
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1 CCN(CC)S(=O)(=O)[*:1] O=C(NC1C2CC3CC(C2)CC1C3)c1cc(ccc1F)[*:1]
Cc1cc(C(=O)Nc2nnc(-c3ccc(Br)o3)o2)no1 Cc1cc(no1)[*:1] O=C(Nc1nnc(o1)-c1ccc(Br)o1)[*:1]
Cc1cc(C(=O)Nc2nnc(-c3ccc(Br)o3)o2)no1 Brc1ccc(o1)[*:1] Cc1cc(no1)C(=O)Nc1nnc(o1)[*:1]
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c([N+](=O)[O-])c3)n2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)-c1csc(n1)/C(C#N)=C\c1ccc(O)c(c1)[*:1]
Cc1cccc(C)c1NC(=O)CSCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CSC[*:1]
CCOCCC(=O)Nc1ccc(I)cc1 CCOCC[*:1] O=C(Nc1ccc(I)cc1)[*:1]
CCOCCC(=O)Nc1ccc(I)cc1 CCO[*:1] O=C(CC[*:1])Nc1ccc(I)cc1
CCOCCC(=O)Nc1ccc(I)cc1 CCOC[*:1] O=C(C[*:1])Nc1ccc(I)cc1
COC(=O)[C@H](C)Oc1cc[nH+]c2c(C)cccc12 COC(=O)[*:1] Cc1cccc2c(cc[nH+]c12)O[C@@H](C)[*:1]
COC(=O)[C@H](C)Oc1cc[nH+]c2c(C)cccc12 COC(=O)[C@H](C)[*:1] Cc1cccc2c(cc[nH+]c12)O[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](C)N(C)c2ccccc2)C1 c1ccc(cc1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)NC[C@H](C)N(C)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](C)N(C)c2ccccc2)C1 CN(c1ccccc1)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)C(=O)NC[C@H](C)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](C)N(C)c2ccccc2)C1 CCNS(=O)(=O)[*:1] C[C@@H](CNC(=O)N1CC[C@H](C1)[*:1])N(C)c1ccccc1
C[C@@H](CCCO)NC(=O)NCC(C)(C)c1cccs1 OCC[*:1] C[C@@H](C[*:1])NC(=O)NCC(C)(C)c1cccs1
C[C@@H](CCCO)NC(=O)NCC(C)(C)c1cccs1 C[C@@H](CCCO)[*:1] CC(C)(CNC(=O)N[*:1])c1cccs1
C[C@@H](CCCO)NC(=O)NCC(C)(C)c1cccs1 OCCC[*:1] C[C@@H](NC(=O)NCC(C)(C)c1cccs1)[*:1]
C[C@@H](CCCO)NC(=O)NCC(C)(C)c1cccs1 c1csc(c1)[*:1] C[C@@H](CCCO)NC(=O)NCC(C)(C)[*:1]
Cc1ccccc1CN(C)C(=O)Nc1ccc(-c2nccs2)cc1 Cc1ccccc1C[*:1] CN(C(=O)Nc1ccc(cc1)-c1nccs1)[*:1]
Cc1ccccc1CN(C)C(=O)Nc1ccc(-c2nccs2)cc1 Cc1ccccc1[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)-c1nccs1
Cc1ccccc1CN(C)C(=O)Nc1ccc(-c2nccs2)cc1 c1csc(n1)[*:1] Cc1ccccc1CN(C)C(=O)Nc1ccc(cc1)[*:1]
O=C1CCCN1c1nc(C/C([O-])=N/c2ncn[nH]2)cs1 O=C1CCCN1[*:1] [O-]/C(Cc1csc(n1)[*:1])=N\c1ncn[nH]1
O=C1CCCN1c1nc(C/C([O-])=N/c2ncn[nH]2)cs1 c1n[nH]c(n1)[*:1] O=C1CCCN1c1nc(cs1)CC([O-])=N[*:1]
O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccsc1 Clc1ccc(cc1)[*:1] O=C(OCc1nc(no1)[*:1])c1ccsc1
O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccsc1 c1cc(cs1)[*:1] O=C(OCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
C[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1cccc(c1)[*:1]
C[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1cccc(c1)O[*:1]
COc1ccc(NC(=O)C[NH+]2CCC(c3nnc(-c4ccccc4OC)s3)CC2)cc1 COc1ccccc1[*:1] COc1ccc(cc1)NC(=O)C[NH+]1CCC(CC1)c1nnc(s1)[*:1]
COc1ccc(NC(=O)C[NH+]2CCC(c3nnc(-c4ccccc4OC)s3)CC2)cc1 COc1ccc(cc1)[*:1] COc1ccccc1-c1nnc(s1)C1CC[NH+](CC1)CC(=O)N[*:1]
O=C(NCCC1[NH+]=c2ccccc2=[NH+]1)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 c1ccc(cc1)C[*:1] O=C(NCCC1[NH+]=c2ccccc2=[NH+]1)c1ccc(cc1)N1CCCN(C1=O)[*:1]
O=C(NCCC1[NH+]=c2ccccc2=[NH+]1)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] O=C(NCCC1[NH+]=c2ccccc2=[NH+]1)c1ccc(cc1)N1CCCN(C[*:1])C1=O
COC(=O)[C@@H](O)[C@@H]1CCOC2(CCCC2)C1 COC(=O)[*:1] O[C@@H]([C@@H]1CCOC2(CCCC2)C1)[*:1]
CN(C(=O)CC(c1ccccc1)c1ccccc1)C1(C#N)CCC1 c1ccc(cc1)[*:1] CN(C(=O)CC(c1ccccc1)[*:1])C1(C#N)CCC1
CC(C)(C)OC(=O)NCc1cccc(NC(=O)NCc2cccs2)c1 c1csc(c1)[*:1] CC(C)(C)OC(=O)NCc1cccc(c1)NC(=O)NC[*:1]
CC(C)(C)OC(=O)NCc1cccc(NC(=O)NCc2cccs2)c1 c1csc(c1)C[*:1] CC(C)(C)OC(=O)NCc1cccc(c1)NC(=O)N[*:1]
CC(C)(C)OC(=O)NCc1cccc(NC(=O)NCc2cccs2)c1 CC(C)(C)OC(=O)N[*:1] O=C(NCc1cccs1)Nc1cccc(c1)C[*:1]
CC(C)(C)OC(=O)NCc1cccc(NC(=O)NCc2cccs2)c1 CC(C)(C)[*:1] O=C(NCc1cccs1)Nc1cccc(c1)CNC(=O)O[*:1]
COc1cccc(-c2nn(CC(=O)Nc3ccc(OC)cc3OC)c(=O)c3noc(C)c23)c1 COc1cccc(c1)[*:1] COc1ccc(NC(=O)Cn2nc(c3c(C)onc3c2=O)[*:1])c(c1)OC
COc1cccc(-c2nn(CC(=O)Nc3ccc(OC)cc3OC)c(=O)c3noc(C)c23)c1 COc1ccc(c(c1)OC)[*:1] COc1cccc(c1)-c1nn(CC(=O)N[*:1])c(=O)c2noc(C)c12
O=C(NCc1cccs1)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] O=C(NCc1cccs1)Nc1ccc2nc(oc2c1)[*:1]
O=C(NCc1cccs1)Nc1ccc2nc(C3CC3)oc2c1 c1csc(c1)[*:1] O=C(NC[*:1])Nc1ccc2nc(oc2c1)C1CC1
O=C(NCc1cccs1)Nc1ccc2nc(C3CC3)oc2c1 c1csc(c1)C[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)N[*:1]
Cc1cc(F)ccc1CCNC(=O)c1ccc(NC(=O)NC(C)C)cc1 CC(C)[*:1] Cc1cc(F)ccc1CCNC(=O)c1ccc(cc1)NC(=O)N[*:1]
Cc1cc(F)ccc1CCNC(=O)c1ccc(NC(=O)NC(C)C)cc1 CC(C)NC(=O)N[*:1] Cc1cc(F)ccc1CCNC(=O)c1ccc(cc1)[*:1]
Cc1cc(F)ccc1CCNC(=O)c1ccc(NC(=O)NC(C)C)cc1 Cc1cc(F)ccc1[*:1] CC(C)NC(=O)Nc1ccc(cc1)C(=O)NCC[*:1]
CC(C)CN(C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C)C1CC1 CC(C)[*:1] C[C@H](NC(=O)N(C[*:1])C1CC1)C(=O)N1CCCC[C@H]1C
CC(C)CN(C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C)C1CC1 CC(C)C[*:1] C[C@H](NC(=O)N(C1CC1)[*:1])C(=O)N1CCCC[C@H]1C
CC(C)CN(C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C)C1CC1 C1CC1[*:1] CC(C)CN(C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C)[*:1]
COCCN(CC(C)C)C(=O)c1cc(C#N)cn1C CC(C)C[*:1] COCCN(C(=O)c1cc(C#N)cn1C)[*:1]
COCCN(CC(C)C)C(=O)c1cc(C#N)cn1C CC(C)[*:1] COCCN(C[*:1])C(=O)c1cc(C#N)cn1C
COCCN(CC(C)C)C(=O)c1cc(C#N)cn1C COCC[*:1] CC(C)CN(C(=O)c1cc(C#N)cn1C)[*:1]
COCCN(CC(C)C)C(=O)c1cc(C#N)cn1C COC[*:1] CC(C)CN(C[*:1])C(=O)c1cc(C#N)cn1C
CCc1ccc(C2=CCN(C(=O)Nc3ccn(CCOC)n3)CC2)cc1 CCc1ccc(cc1)[*:1] COCCn1ccc(n1)NC(=O)N1CC=C(CC1)[*:1]
CCc1ccc(C2=CCN(C(=O)Nc3ccn(CCOC)n3)CC2)cc1 COCC[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)Nc1ccn(n1)[*:1]
CCc1ccc(C2=CCN(C(=O)Nc3ccn(CCOC)n3)CC2)cc1 COC[*:1] CCc1ccc(cc1)C1=CCN(CC1)C(=O)Nc1ccn(C[*:1])n1
C#CCN(C(=O)Nc1c(F)cc(C#C)cc1F)[C@@H]1CCS(=O)(=O)C1 C#CC[*:1] C#Cc1cc(F)c(NC(=O)N([C@@H]2CCS(=O)(=O)C2)[*:1])c(F)c1
C#CCN(C(=O)Nc1c(F)cc(C#C)cc1F)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] C#CCN(C(=O)Nc1c(F)cc(C#C)cc1F)[*:1]
Oc1cccc(CN2CC[NH+](CCc3ccccn3)CC2)c1 c1ccc(nc1)[*:1] Oc1cccc(c1)CN1CC[NH+](CC1)CC[*:1]
Oc1cccc(CN2CC[NH+](CCc3ccccn3)CC2)c1 Oc1cccc(c1)[*:1] c1ccc(CC[NH+]2CCN(CC2)C[*:1])nc1
Oc1cccc(CN2CC[NH+](CCc3ccccn3)CC2)c1 c1ccc(C[*:1])nc1 Oc1cccc(c1)CN1CC[NH+](CC1)C[*:1]
CC(C)c1cccc(N2C[C@H](C(=O)N[C@@H](C)c3cccs3)CC2=O)c1 CC(C)[*:1] C[C@H](NC(=O)[C@@H]1CC(=O)N(C1)c1cccc(c1)[*:1])c1cccs1
CC(C)c1cccc(N2C[C@H](C(=O)N[C@@H](C)c3cccs3)CC2=O)c1 C[C@@H](c1cccs1)[*:1] CC(C)c1cccc(c1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CC(C)c1cccc(N2C[C@H](C(=O)N[C@@H](C)c3cccs3)CC2=O)c1 c1csc(c1)[*:1] CC(C)c1cccc(c1)N1C[C@@H](CC1=O)C(=O)N[C@@H](C)[*:1]
CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N[C@H]1CCCC[C@@H]1C C[C@H]1CCCC[C@@H]1[*:1] CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N[*:1]
CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N[C@H]1CCCC[C@@H]1C CCC[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C[C@H]1CSc2nc(cc(=O)n21)[*:1]
Cc1ccc(NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1F c1csc(c1)[*:1] Cc1ccc(cc1F)NC(=O)Cn1nnn(c1=O)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 CN(C)S(=O)(=O)[*:1] O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)C=C[*:1]
C=CCN1C(=O)C2=C3CC(C)(C)SC[C@@H]3SC2=NC1=S C=CC[*:1] CC1(C)CC2=C3C(=O)N(C(=S)N=C3S[C@H]2CS1)[*:1]
C=CCn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2ccc(Cl)c(Cl)c21 C=CC[*:1] O=C(/N=c1\sc2ccc(Cl)c(Cl)c2n1[*:1])c1cccc(c1)N1C(=O)CCC1=O
C=CCn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2ccc(Cl)c(Cl)c21 O=C1CCC(=O)N1[*:1] C=CCn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2ccc(Cl)c(Cl)c21
CCSc1cc(C(=O)NC[C@H](C)Nc2ccccc2)ccn1 c1ccc(cc1)N[*:1] CCSc1cc(ccn1)C(=O)NC[C@H](C)[*:1]
CCSc1cc(C(=O)NC[C@H](C)Nc2ccccc2)ccn1 CCS[*:1] C[C@@H](CNC(=O)c1ccnc(c1)[*:1])Nc1ccccc1
CCSc1cc(C(=O)NC[C@H](C)Nc2ccccc2)ccn1 c1ccc(cc1)[*:1] CCSc1cc(ccn1)C(=O)NC[C@H](C)N[*:1]
CN(Cc1nc(-c2cccnc2)no1)c1nc(C2CC2)ns1 c1cncc(c1)[*:1] CN(Cc1nc(no1)[*:1])c1nc(ns1)C1CC1
CN(Cc1nc(-c2cccnc2)no1)c1nc(C2CC2)ns1 C1CC1[*:1] CN(Cc1nc(no1)-c1cccnc1)c1nc(ns1)[*:1]
CSC[C@H](C)NC(=O)NC[C@@H](O)c1ccco1 CSC[*:1] C[C@H](NC(=O)NC[C@@H](O)c1ccco1)[*:1]
CSC[C@H](C)NC(=O)NC[C@@H](O)c1ccco1 c1coc(c1)[*:1] CSC[C@H](C)NC(=O)NC[C@@H](O)[*:1]
CSC[C@H](C)NC(=O)NC[C@@H](O)c1ccco1 CSC[C@H](C)[*:1] O=C(NC[C@@H](O)c1ccco1)N[*:1]
CNC(=O)NC(=O)[C@@H](C)S[C@@H](C)c1cccs1 c1csc(c1)[*:1] CNC(=O)NC(=O)[C@@H](C)S[C@@H](C)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F CCS(=O)(=O)C[C@H](C)[*:1] C[C@H](c1ccccc1F)N(C(=O)N[*:1])C1CC1
CCS(=O)(=O)C[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F C1CC1[*:1] CCS(=O)(=O)C[C@H](C)NC(=O)N([C@H](C)c1ccccc1F)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F Fc1ccccc1[*:1] CCS(=O)(=O)C[C@H](C)NC(=O)N(C1CC1)[C@H](C)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F CCS(=O)(=O)C[*:1] C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccccc1F)[*:1]
CCS(=O)(=O)C[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F CCS(=O)(=O)[*:1] C[C@@H](C[*:1])NC(=O)N(C1CC1)[C@H](C)c1ccccc1F
COc1ccc(Cl)c(NNC(=O)CNC(=O)CC(C)(C)C)c1 CC(C)(C)C[*:1] COc1ccc(Cl)c(c1)NNC(=O)CNC(=O)[*:1]
COc1ccc(Cl)c(NNC(=O)CNC(=O)CC(C)(C)C)c1 CC(C)(C)[*:1] COc1ccc(Cl)c(c1)NNC(=O)CNC(=O)C[*:1]
O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)SC(Nc2ccccc2)=N1 Clc1ccc(cc1)[*:1] O=C1C[C@@H](SC(=N1)Nc1ccccc1)C(=O)N[*:1]
O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)SC(Nc2ccccc2)=N1 c1ccc(cc1)[*:1] O=C1C[C@@H](SC(=N1)N[*:1])C(=O)Nc1ccc(Cl)cc1
CSc1ccc(Cl)cc1NC(=O)Cn1nnnc1C(C)C CC(C)[*:1] CSc1ccc(Cl)cc1NC(=O)Cn1nnnc1[*:1]
COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])N1C(=O)[C@H](C)CS1(=O)=O
c1nc(N2CCOCC2)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] c1nc(nc(n1)[*:1])N1CCOCC1
C[C@H](Sc1nnc(N2CCOCC2)n1C)c1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(N2CCOCC2)n1C)c1nnc(o1)[*:1]
C[C@H](Sc1nnc(N2CCOCC2)n1C)c1nnc(-c2ccccc2)o1 C1CN(CCO1)[*:1] C[C@H](Sc1nnc(n1C)[*:1])c1nnc(o1)-c1ccccc1
O=C(NCCNc1cnccn1)c1cc2ccccc2o1 c1cnc(cn1)N[*:1] O=C(NCC[*:1])c1cc2ccccc2o1
O=C(NCCNc1cnccn1)c1cc2ccccc2o1 c1cnc(cn1)[*:1] O=C(NCCN[*:1])c1cc2ccccc2o1
O=C(Nc1cccnc1Cl)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 Fc1cc(F)cc(c1)[*:1] O=C(Nc1cccnc1Cl)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1cccnc1Cl)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 Clc1ncccc1[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1cc(F)cc(F)c1
O=C(CN1C(=O)CSc2ccc(C(F)(F)F)cc21)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(CN1C(=O)CSc2ccc(C(F)(F)F)cc21)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)C(F)(F)F)Nc1cccc(c1)[*:1]
Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(OCC(C)C)c1)SCC(O)=N2 CC(C)C[*:1] Cc1nn(-c2ncccn2)c2N=C(O)CS[C@H](c3cccc(c3)O[*:1])c12
Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(OCC(C)C)c1)SCC(O)=N2 CC(C)CO[*:1] Cc1nn(-c2ncccn2)c2N=C(O)CS[C@H](c3cccc(c3)[*:1])c12
Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(OCC(C)C)c1)SCC(O)=N2 CC(C)[*:1] Cc1nn(-c2ncccn2)c2N=C(O)CS[C@H](c3cccc(c3)OC[*:1])c12
Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(OCC(C)C)c1)SCC(O)=N2 c1cnc(nc1)[*:1] Cc1nn(c2N=C(O)CS[C@H](c3cccc(c3)OCC(C)C)c12)[*:1]
O=C1N[C@@H](C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CS1 O=C1N[C@@H](CS1)[*:1] O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)[*:1]
Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(C)C CC(C)C[*:1] Cc1cc(C)c2c(c1)c(C)cc(=O)n2[*:1]
Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(C)C CC(C)[*:1] Cc1cc(C)c2c(c1)c(C)cc(=O)n2C[*:1]
CCOc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C CCO[*:1] CN(C)S(=O)(=O)c1cc(ccc1[*:1])NC(=O)Cc1n[nH]c(=O)c2ccccc12
CCOc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] CCOc1ccc(cc1[*:1])NC(=O)Cc1n[nH]c(=O)c2ccccc12
Cc1ccc(NC(=O)CNc2ccccc2Oc2ncccc2C#N)cc1 N#Cc1cccnc1O[*:1] Cc1ccc(cc1)NC(=O)CNc1ccccc1[*:1]
Cc1ccc(NC(=O)CNc2ccccc2Oc2ncccc2C#N)cc1 N#Cc1cccnc1[*:1] Cc1ccc(cc1)NC(=O)CNc1ccccc1O[*:1]
Cc1ccc(NC(=O)CNc2ccccc2Oc2ncccc2C#N)cc1 Cc1ccc(cc1)[*:1] N#Cc1cccnc1Oc1ccccc1NCC(=O)N[*:1]
O=C(NC1CC1)c1cc(SC[C@H](O)c2ccccc2Cl)nc2ccccc12 O=C(NC1CC1)[*:1] O[C@@H](CSc1cc(c2ccccc2n1)[*:1])c1ccccc1Cl
O=C(NC1CC1)c1cc(SC[C@H](O)c2ccccc2Cl)nc2ccccc12 C1CC1[*:1] O=C(N[*:1])c1cc(nc2ccccc12)SC[C@H](O)c1ccccc1Cl
O=C(NC1CC1)c1cc(SC[C@H](O)c2ccccc2Cl)nc2ccccc12 Clc1ccccc1[*:1] O=C(NC1CC1)c1cc(nc2ccccc12)SC[C@H](O)[*:1]
N#Cc1cccc(CN2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)c1 FC(F)(F)[*:1] N#Cc1cccc(c1)CN1CC[C@@H](C1)c1nc2ccc(cc2[nH]1)[*:1]
N#Cc1cccc(CN2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)c1 N#Cc1cccc(c1)C[*:1] FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CCN(C1)[*:1]
N#Cc1cccc(CN2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)c1 N#Cc1cccc(c1)[*:1] FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CCN(C1)C[*:1]
CSCCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C)ccc21 CSCC[*:1] Cc1ccc2c(c1)s/c(=N\C(=O)[C@@H]1CCCN(C1)S(C)(=O)=O)n2[*:1]
CSCCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C)ccc21 CSC[*:1] Cc1ccc2c(c1)s/c(=N\C(=O)[C@@H]1CCCN(C1)S(C)(=O)=O)n2C[*:1]
CCC[C@@H]1CN(C(=O)Nc2ccc(C(=O)NCC)cc2)CCO1 CCNC(=O)[*:1] CCC[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)[*:1]
CCC[C@@H]1CN(C(=O)Nc2ccc(C(=O)NCC)cc2)CCO1 CCC[*:1] CCNC(=O)c1ccc(cc1)NC(=O)N1CCO[C@@H](C1)[*:1]
CCn1nc(C)c2[nH]c(=S)n([C@H](C)[C@H]3CCCO3)c21 C1CO[C@H](C1)[*:1] CCn1nc(C)c2[nH]c(=S)n(c21)[C@H](C)[*:1]
O=C(N1CCCCC1)N1CCN(Cc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(N1CCCCC1)N1CCN(CC1)C[*:1]
CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(cc1Cl)[*:1]
CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl CC[C@@H](CO)[*:1] O=C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)N[*:1]
Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 Cc1n[nH]c(C)c1C[*:1] CC1CC[NH+](CC1)Cc1ccc(cc1)NC(=O)C[*:1]
Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 Cc1n[nH]c(C)c1[*:1] CC1CC[NH+](CC1)Cc1ccc(cc1)NC(=O)CC[*:1]
COc1ccc(/C=C2\SC(=N)NC2=O)cc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(/C=C2\SC(=N)NC2=O)cc1O[*:1]
COc1ccc(/C=C2\SC(=N)NC2=O)cc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1ccc(/C=C2\SC(=N)NC2=O)cc1[*:1]
COc1ccc(/C=C2\SC(=N)NC2=O)cc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(/C=C2\SC(=N)NC2=O)cc1OC[*:1]
O=C(Cn1nc(-c2ccc(Cl)cc2)n(-n2cccc2)c1=S)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cn1nc(-c2ccc(Cl)cc2)n(c1=S)-n1cccc1)N[*:1]
O=C(Cn1nc(-c2ccc(Cl)cc2)n(-n2cccc2)c1=S)Nc1ccccc1F Clc1ccc(cc1)[*:1] O=C(Cn1nc(n(c1=S)-n1cccc1)[*:1])Nc1ccccc1F
C[C@H]1CC(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)N1CCCC[C@@H]1c1nc(no1)[*:1]
C#CCSc1nnc(-c2ccncc2)n1C C#CCS[*:1] Cn1c(nnc1[*:1])-c1ccncc1
C#CCSc1nnc(-c2ccncc2)n1C C#CC[*:1] Cn1c(nnc1-c1ccncc1)S[*:1]
O=C(Nc1ccc(F)c(F)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 Fc1ccc(cc1F)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc(Br)cc1
O=C(Nc1ccc(F)c(F)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(F)c1)[C@H]1CC(=O)N(C1)[*:1]
CS(=O)(=O)CCN1CCN(C(=O)c2cc(F)ccc2O)CC1 CS(=O)(=O)C[*:1] O=C(c1cc(F)ccc1O)N1CCN(CC1)C[*:1]
CS(=O)(=O)CCN1CCN(C(=O)c2cc(F)ccc2O)CC1 CS(=O)(=O)[*:1] O=C(c1cc(F)ccc1O)N1CCN(CC1)CC[*:1]
CS(=O)(=O)CCN1CCN(C(=O)c2cc(F)ccc2O)CC1 CS(=O)(=O)CC[*:1] O=C(c1cc(F)ccc1O)N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3csc(NC(=O)Nc4cccc(C)c4)n3)CC2)cc1 Cc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1csc(n1)NC(=O)N[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3csc(NC(=O)Nc4cccc(C)c4)n3)CC2)cc1 Cc1cccc(c1)NC(=O)N[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1csc(n1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3csc(NC(=O)Nc4cccc(C)c4)n3)CC2)cc1 CC(=O)[*:1] Cc1cccc(c1)NC(=O)Nc1nc(cs1)C(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3csc(NC(=O)Nc4cccc(C)c4)n3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)Nc1nc(cs1)C(=O)N1CCN(CC1)[*:1]
COC(=O)[C@H](C)CN(C)c1cncc(-n2nc(C)cc2C)n1 COC(=O)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)N(C)C[C@@H](C)[*:1]
COC(=O)[C@H](C)CN(C)c1cncc(-n2nc(C)cc2C)n1 Cc1cc(C)n(n1)[*:1] COC(=O)[C@H](C)CN(C)c1cncc(n1)[*:1]
COC(=O)[C@H](C)CN(C)c1cncc(-n2nc(C)cc2C)n1 COC(=O)[C@H](C)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)N(C)C[*:1]
COC(=O)[C@H](C)CN(C)c1cncc(-n2nc(C)cc2C)n1 COC(=O)[C@H](C)C[*:1] Cc1cc(C)n(n1)-c1cncc(n1)N(C)[*:1]
Cc1nc(SCC(=O)NCc2cccc(C(=O)NC3CC3)c2)oc1C Cc1nc(oc1C)S[*:1] O=C(C[*:1])NCc1cccc(c1)C(=O)NC1CC1
Cc1nc(SCC(=O)NCc2cccc(C(=O)NC3CC3)c2)oc1C O=C(NC1CC1)[*:1] Cc1nc(oc1C)SCC(=O)NCc1cccc(c1)[*:1]
Cc1nc(SCC(=O)NCc2cccc(C(=O)NC3CC3)c2)oc1C Cc1nc(oc1C)[*:1] O=C(CS[*:1])NCc1cccc(c1)C(=O)NC1CC1
Cc1nc(SCC(=O)NCc2cccc(C(=O)NC3CC3)c2)oc1C C1CC1[*:1] Cc1nc(oc1C)SCC(=O)NCc1cccc(c1)C(=O)N[*:1]
CC(C)Nc1cccc(C(=O)N(C)C(C)C)c1 CC(C)[*:1] CC(C)Nc1cccc(c1)C(=O)N(C)[*:1]
CC(C)Nc1cccc(C(=O)N(C)C(C)C)c1 CC(C)N[*:1] CC(C)N(C)C(=O)c1cccc(c1)[*:1]
CC(C)Nc1cccc(C(=O)N(C)C(C)C)c1 CC(C)[*:1] CC(C)N(C)C(=O)c1cccc(c1)N[*:1]
O=C(Cc1cnn(-c2ccccc2)c1)OCc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cnn(c1)[*:1])OCc1nnnn1-c1ccccc1
O=C(Cc1cnn(-c2ccccc2)c1)OCc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1cnn(c1)-c1ccccc1)OCc1nnnn1[*:1]
COc1ccccc1CNC(=O)c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 c1coc(c1)[*:1] COc1ccccc1CNC(=O)c1cc(n(n1)[C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccccc1CNC(=O)c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 COc1ccccc1[*:1] O=C(NC[*:1])c1cc(-c2ccco2)n(n1)[C@@H]1CCS(=O)(=O)C1
COc1ccccc1CNC(=O)c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 COc1ccccc1C[*:1] O=C(N[*:1])c1cc(-c2ccco2)n(n1)[C@@H]1CCS(=O)(=O)C1
Nc1c(N2CCC(C(=O)[O-])CC2)ncnc1N1CCN(c2ccccc2)CC1 O=C([O-])[*:1] Nc1c(ncnc1N1CCN(CC1)c1ccccc1)N1CCC(CC1)[*:1]
Nc1c(N2CCC(C(=O)[O-])CC2)ncnc1N1CCN(c2ccccc2)CC1 O=C([O-])C1CCN(CC1)[*:1] Nc1c(ncnc1[*:1])N1CCN(CC1)c1ccccc1
Nc1c(N2CCC(C(=O)[O-])CC2)ncnc1N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Nc1c(ncnc1N1CCN(CC1)[*:1])N1CCC(CC1)C(=O)[O-]
COc1cccc(-c2noc(NCc3cccc(-n4ccnc4)c3)n2)c1 COc1cccc(c1)[*:1] c1cc(cc(c1)-n1ccnc1)CNc1nc(no1)[*:1]
COc1cccc(-c2noc(NCc3cccc(-n4ccnc4)c3)n2)c1 c1cn(cn1)[*:1] COc1cccc(c1)-c1noc(n1)NCc1cccc(c1)[*:1]
CC(C)OCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C CC(C)OC[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)C[*:1])[N+](=O)[O-]
CC(C)OCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C CC(C)OCC[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)[*:1])[N+](=O)[O-]
CC(C)OCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C CC(C)O[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)CC[*:1])[N+](=O)[O-]
CC(C)OCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C O=[N+]([O-])[*:1] CC(C)OCCC(=O)N1c2ccc(cc2C[C@@H]1C)[*:1]
CC(C)OCCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C CC(C)[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)CCO[*:1])[N+](=O)[O-]
CCOc1ccc(NC(=O)N2CCCC[C@@H]2CO)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CCCC[C@@H]1CO
O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1CC(c2cc(F)ccc2F)=NO1 Fc1ccc(F)c(c1)[*:1] O=C(NCc1ccnc(c1)-n1ccnc1)[C@H]1CC(=NO1)[*:1]
O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1CC(c2cc(F)ccc2F)=NO1 c1cn(cn1)[*:1] O=C(NCc1ccnc(c1)[*:1])[C@H]1CC(=NO1)c1cc(F)ccc1F
C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)C[*:1])C(=O)N1CCc2ccc(cc2C1)[N+](=O)[O-]
C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCc2ccc(cc2C1)[*:1]
C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 C1CCC(CC1)C[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCc2ccc(cc2C1)[N+](=O)[O-]
O=C(c1cccc2ccccc12)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 C1CO[C@H](C1)[*:1] O=C(c1cccc2ccccc12)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(c1cccc2ccccc12)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 C1CO[C@H](C1)C[*:1] O=C(c1cccc2ccccc12)N([C@@H]1CCS(=O)(=O)C1)[*:1]
N#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 O=C([O-])[*:1] N#Cc1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
O=C([O-])c1c[nH]c(=O)c(-c2cccc([N+](=O)[O-])c2)c1 O=C([O-])[*:1] O=c1[nH]cc(cc1-c1cccc(c1)[N+](=O)[O-])[*:1]
O=C([O-])c1c[nH]c(=O)c(-c2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] O=C([O-])c1c[nH]c(=O)c(c1)-c1cccc(c1)[*:1]
COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccc(Cl)c1 COCCOC(=O)[*:1] CC1N=C2S[C@@H](C)C(=O)N2[C@H](C=1[*:1])c1cccc(Cl)c1
COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccc(Cl)c1 COCC[*:1] CC1N=C2S[C@@H](C)C(=O)N2[C@H](C=1C(=O)O[*:1])c1cccc(Cl)c1
COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccc(Cl)c1 COC[*:1] CC1N=C2S[C@@H](C)C(=O)N2[C@H](C=1C(=O)OC[*:1])c1cccc(Cl)c1
COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1[*:1]
CC(=O)Nc1ccccc1C[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 CC(=O)N[*:1] Cn1cc(cn1)C(=O)NC1CC[NH+](CC1)Cc1ccccc1[*:1]
CC(=O)Nc1ccccc1C[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] CC(=O)Nc1ccccc1C[NH+]1CCC(CC1)NC(=O)[*:1]
CCC1(CC)C[NH+]([C@H](C)CCC(=O)[O-])C1 O=C([O-])C[*:1] CCC1(CC)C[NH+](C1)[C@H](C)C[*:1]
CCC1(CC)C[NH+]([C@H](C)CCC(=O)[O-])C1 O=C([O-])[*:1] CCC1(CC)C[NH+](C1)[C@H](C)CC[*:1]
CCC1(CC)C[NH+]([C@H](C)CCC(=O)[O-])C1 O=C([O-])CC[*:1] CCC1(CC)C[NH+](C1)[C@H](C)[*:1]
COc1ccc(N(C(=O)CC2CCCCC2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 C1CCC(CC1)C[*:1] COc1ccc(c(c1)OC)N(C(=O)[*:1])[C@H]1C=CS(=O)(=O)C1
COc1ccc(N(C(=O)CC2CCCCC2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 C1CCC(CC1)[*:1] COc1ccc(c(c1)OC)N(C(=O)C[*:1])[C@H]1C=CS(=O)(=O)C1
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3=O)cc2)cc1 O=C1CCCCN1[*:1] Cc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(C(=O)Nc2ccc(N3CCCCC3=O)cc2)cc1 Cc1ccc(cc1)[*:1] O=C1CCCCN1c1ccc(cc1)NC(=O)[*:1]
C#CCCN1C(=O)[C@H]2CCCCN2C(=O)[C@H]1CC C#CCC[*:1] CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1[*:1]
C#CCCN1C(=O)[C@H]2CCCCN2C(=O)[C@H]1CC C#CC[*:1] CC[C@@H]1C(=O)N2CCCC[C@@H]2C(=O)N1C[*:1]
Cc1ccc2ccc(C(N)=[NH2+])nc2n1 NC(=[NH2+])[*:1] Cc1ccc2ccc(nc2n1)[*:1]
CC(C)N(CC1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=S1(=O)CC[C@@H](C1)N(CC1CC[NH2+]CC1)[*:1]
N#Cc1cc2c(nc1N1CC(c3ccncc3)C1)CCCC2 c1cc(ccn1)[*:1] N#Cc1cc2CCCCc2nc1N1CC(C1)[*:1]
Cn1ncc2c(=O)[nH]c(CN3CC=C(c4ccc(F)cc4)CC3)nc21 Fc1ccc(cc1)[*:1] Cn1ncc2c(=O)[nH]c(CN3CC=C(CC3)[*:1])nc21
O=C(CN1CCN(CC(=O)N2CCc3ccccc32)CC1)NCC1CCC1 C1CC(C1)[*:1] O=C(CN1CCN(CC1)CC(=O)N1CCc2ccccc21)NC[*:1]
O=C(CN1CCN(CC(=O)N2CCc3ccccc32)CC1)NCC1CCC1 O=C(C[*:1])NCC1CCC1 O=C(CN1CCN(CC1)[*:1])N1CCc2ccccc21
O=C(CN1CCN(CC(=O)N2CCc3ccccc32)CC1)NCC1CCC1 O=C(NCC1CCC1)[*:1] O=C(CN1CCN(CC1)C[*:1])N1CCc2ccccc21
O=C(CN1CCN(CC(=O)N2CCc3ccccc32)CC1)NCC1CCC1 C1CC(C1)C[*:1] O=C(CN1CCN(CC1)CC(=O)N1CCc2ccccc21)N[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(\C#N)c1ccccn1 c1ccc(nc1)[*:1] Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(\C#N)[*:1]
Cc1nn(-c2ccc(F)cc2F)c(C)c1/C=C(\C#N)c1ccccn1 Fc1ccc(c(F)c1)[*:1] Cc1nn(c(C)c1/C=C(\C#N)c1ccccn1)[*:1]
COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@H](C)O)[NH2+][C@]12C(=O)Nc1ccc(Cl)cc12 COc1ccc(Cl)cc1[*:1] C[C@H](O)[C@H]1C[C@H](C(=O)N[*:1])[C@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12
Cc1nc(=O)[nH]c(C)c1CC(=O)Nc1sccc1C(=O)[O-] O=C([O-])[*:1] Cc1nc(=O)[nH]c(C)c1CC(=O)Nc1sccc1[*:1]
COC(=O)c1cncc(N(CCO)CCO)n1 COC(=O)[*:1] OCCN(CCO)c1cncc(n1)[*:1]
COC(=O)c1cncc(N(CCO)CCO)n1 OCC[*:1] COC(=O)c1cncc(n1)N(CCO)[*:1]
Cc1ccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)CN1C(=O)c2ccccc2Sc2ccc(cc21)C(=O)N[*:1]
Cc1ccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)CN1C(=O)c2ccccc2Sc2ccc(cc21)C(=O)NC[*:1]
Cc1ccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1 Cc1ccc(cc1)[*:1] O=C(NCCN1CCOCC1)c1ccc2Sc3ccccc3C(=O)N(C[*:1])c2c1
Cc1ccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1 O=C(NCCN1CCOCC1)[*:1] Cc1ccc(cc1)CN1C(=O)c2ccccc2Sc2ccc(cc21)[*:1]
Cc1ccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)CN1C(=O)c2ccccc2Sc2ccc(cc21)C(=O)NCC[*:1]
Cc1ccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1 Cc1ccc(cc1)C[*:1] O=C(NCCN1CCOCC1)c1ccc2Sc3ccccc3C(=O)N(c2c1)[*:1]
CCn1c(C[NH2+]C[C@H](C)c2ccsc2)nc2ccccc21 c1cc(cs1)[*:1] CCn1c(C[NH2+]C[C@H](C)[*:1])nc2ccccc21
O=C(NCc1csc(C2CC2)n1)Nc1nnc(-c2ccccc2)s1 c1sc(nc1[*:1])C1CC1 O=C(NC[*:1])Nc1nnc(s1)-c1ccccc1
O=C(NCc1csc(C2CC2)n1)Nc1nnc(-c2ccccc2)s1 C1CC1[*:1] O=C(NCc1csc(n1)[*:1])Nc1nnc(s1)-c1ccccc1
O=C(NCc1csc(C2CC2)n1)Nc1nnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(NCc1csc(n1)C1CC1)Nc1nnc(s1)[*:1]
C[C@@H](CCC1CCCCC1)NC(=O)N1CCC[C@H](CCO)C1 OCC[*:1] C[C@@H](CCC1CCCCC1)NC(=O)N1CCC[C@H](C1)[*:1]
C[C@@H](CCC1CCCCC1)NC(=O)N1CCC[C@H](CCO)C1 C1CCC(CC1)[*:1] C[C@@H](CC[*:1])NC(=O)N1CCC[C@H](CCO)C1
C[C@@H](CCC1CCCCC1)NC(=O)N1CCC[C@H](CCO)C1 C1CCC(CC1)C[*:1] C[C@@H](C[*:1])NC(=O)N1CCC[C@H](CCO)C1
COc1ccc(/C=C/C(C)=O)c2ccccc12 CC(=O)C=C[*:1] COc1ccc(c2ccccc12)[*:1]
COc1ccc(/C=C/C(C)=O)c2ccccc12 CC(=O)[*:1] COc1ccc(C=C[*:1])c2ccccc12
O=C(CNc1cc(Cl)ccc1N1CCOCC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CNc1cc(Cl)ccc1N1CCOCC1)N[*:1]
O=C(CNc1cc(Cl)ccc1N1CCOCC1)Nc1ccc(F)cc1 C1CN(CCO1)[*:1] O=C(CNc1cc(Cl)ccc1[*:1])Nc1ccc(F)cc1
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)C2=O FC(F)(F)[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
CCOC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 c1ccc(nc1)[*:1] CCOC(=O)N1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CCOC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 c1ccc(C[*:1])nc1 CCOC(=O)N1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@H]1CCCCN1C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-] O=C([O-])[*:1] C[C@H]1CCCCN1C(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1[*:1]
CNc1cc([C@H]2CCN2S(=O)(=O)c2ccccc2)nc(C)n1 c1ccc(cc1)[*:1] CNc1cc(nc(C)n1)[C@H]1CCN1S(=O)(=O)[*:1]
Cc1sc(=O)n(CCC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)c1C C1CCC(C1)O[*:1] Cc1sc(=O)n(CCC(=O)N[C@@H]2CCCC[C@H]2[*:1])c1C
Cc1sc(=O)n(CCC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)c1C C1CCC(C1)[*:1] Cc1sc(=O)n(CCC(=O)N[C@@H]2CCCC[C@@H]2O[*:1])c1C
Cc1sc(=O)n(CCC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)c1C Cc1sc(=O)n(c1C)[*:1] O=C(CC[*:1])N[C@@H]1CCCC[C@@H]1OC1CCCC1
C[C@H]1C[C@@H]2CCCC[C@@H]2N1c1nc(C2CC2)ns1 C1CC1[*:1] C[C@H]1C[C@@H]2CCCC[C@@H]2N1c1nc(ns1)[*:1]
O=C(CCSc1ccccn1)N(C1CC1)[C@H]1CCc2ccccc21 c1ccc(nc1)[*:1] O=C(CCS[*:1])N(C1CC1)[C@H]1CCc2ccccc21
O=C(CCSc1ccccn1)N(C1CC1)[C@H]1CCc2ccccc21 C1CC1[*:1] O=C(CCSc1ccccn1)N([C@H]1CCc2ccccc21)[*:1]
O=C(CCSc1ccccn1)N(C1CC1)[C@H]1CCc2ccccc21 c1ccc(nc1)SC[*:1] O=C(C[*:1])N(C1CC1)[C@H]1CCc2ccccc21
O=C(CCSc1ccccn1)N(C1CC1)[C@H]1CCc2ccccc21 c1ccc(nc1)S[*:1] O=C(CC[*:1])N(C1CC1)[C@H]1CCc2ccccc21
OCc1cncc(OC[C@H]2CCCO2)n1 C1CO[C@H](C1)[*:1] OCc1cncc(n1)OC[*:1]
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)/C=C/c1cccc(F)c1 O=C([O-])[*:1] C[C@H]1[C@@H](CCN1C(=O)/C=C/c1cccc(F)c1)[*:1]
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)c2ccccc21 C#CC[*:1] N#CC1=C(N)Nc2nc([nH]c(=O)c2[C@]12C(=O)N(c1ccccc12)[*:1])SCc1cccc(F)c1
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)c2ccccc21 Fc1cccc(c1)C[*:1] C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Nc3nc([nH]c(=O)c32)S[*:1])c2ccccc21
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)c2ccccc21 Fc1cccc(c1)[*:1] C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Nc3nc([nH]c(=O)c32)SC[*:1])c2ccccc21
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)c2ccccc21 Fc1cccc(c1)CS[*:1] C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Nc3nc([nH]c(=O)c32)[*:1])c2ccccc21
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1cc(N(C)C)[nH+]c2ccccc12 CN(C)[*:1] CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1cc([nH+]c2ccccc12)[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1cc(N(C)C)[nH+]c2ccccc12 CC[C@@H](C)[*:1] CN(C)c1cc(CNC(=O)[C@@H](NC(N)=O)[*:1])c2ccccc2[nH+]1
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1cc(N(C)C)[nH+]c2ccccc12 NC(=O)N[*:1] CC[C@@H](C)[C@H](C(=O)NCc1cc([nH+]c2ccccc12)N(C)C)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(Br)cc2)cc1 CN1CCN(CC1)C(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccc(Br)cc1
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCN(C)CC1)[*:1]
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(Br)cc2)cc1 Cc1ccc(cc1)[*:1] CN1CCN(CC1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)[*:1]
CC(=O)c1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)n(C)c1 FC(F)(F)[*:1] CC(=O)c1cc(C(=O)Nc2ccc(OC[*:1])c(C#N)c2)n(C)c1
CC(=O)c1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)n(C)c1 CC(=O)[*:1] Cn1cc(cc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[*:1]
CC(=O)c1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)n(C)c1 FC(F)(F)CO[*:1] CC(=O)c1cc(C(=O)Nc2ccc(c(C#N)c2)[*:1])n(C)c1
CC(=O)c1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)n(C)c1 FC(F)(F)C[*:1] CC(=O)c1cc(C(=O)Nc2ccc(O[*:1])c(C#N)c2)n(C)c1
COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)N1c2ccccc2C[C@@H]1C
CCc1nn(C)cc1NC(=O)N1CCC[C@H]1C(=O)N(C)C CN(C)C(=O)[*:1] CCc1nn(C)cc1NC(=O)N1CCC[C@@H]1[*:1]
O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)N1CCO[C@H](c2nccs2)C1 c1csc(n1)[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)N1CCO[C@H](C1)[*:1]
COc1cccc(CO[C@H](C)C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2)c1 COc1cccc(c1)[*:1] C[C@@H](OC[*:1])C(=O)N[C@H]1C[C@@H](C)N(C1)c1ccccc1
COc1cccc(CO[C@H](C)C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CO[C@H](C)C(=O)N[C@H]1C[C@@H](C)N(C1)[*:1]
COc1cccc(CO[C@H](C)C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2)c1 COc1cccc(c1)C[*:1] C[C@@H](O[*:1])C(=O)N[C@H]1C[C@@H](C)N(C1)c1ccccc1
CCOc1ccc(-c2nc(C(=O)N3CCNC(=O)[C@@H]3CC)cs2)cc1 CCO[*:1] CC[C@H]1C(=O)NCCN1C(=O)c1csc(n1)-c1ccc(cc1)[*:1]
CC(C)c1cc(C(=O)Nc2c(F)cccc2F)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)c1cc(C(=O)Nc2c(F)cccc2F)n(n1)[*:1]
CC(C)c1cc(C(=O)Nc2c(F)cccc2F)n(-c2ccccc2)n1 Fc1cccc(F)c1[*:1] CC(C)c1cc(C(=O)N[*:1])n(n1)-c1ccccc1
CC(C)c1cc(C(=O)Nc2c(F)cccc2F)n(-c2ccccc2)n1 CC(C)[*:1] O=C(Nc1c(F)cccc1F)c1cc(nn1-c1ccccc1)[*:1]
CCN(CC)C(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 CCN(CC)C(=O)[*:1] Cc1nnc2S[C@@H]([C@H](Nn12)c1ccccc1)[*:1]
CCN(CC)C(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@H]1Sc2nnc(C)n2N[C@H]1[*:1]
Cc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)OCC(=O)N1CCC[C@@H]1C(=O)N[*:1]
Cc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] Cc1ccc(cc1)OCC(=O)N1CCC[C@H]1[*:1]
Cc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CC1)[C@H]1CCCN1C(=O)CO[*:1]
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCn1cc(C)cn1 O=C([O-])[*:1] C[NH2+][C@@]1(CCC[C@@H]1CCn1cc(C)cn1)[*:1]
C[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CCn1cc(C)cn1 Cc1cnn(c1)[*:1] C[NH2+][C@@]1(CCC[C@@H]1CC[*:1])C(=O)[O-]
CC[C@@H](C)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 c1ccc(cc1)[*:1] CC[C@@H](C)c1ccc(cc1)NC(=O)c1c(noc1C)[*:1]
CC[C@@H](C)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 CC[C@@H](C)[*:1] Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(CNC(=O)N2CCC[C@H]2Cc2ccccc2OC)cc1F COc1ccccc1C[*:1] COc1ccc(cc1F)CNC(=O)N1CCC[C@@H]1[*:1]
COc1ccc(CNC(=O)N2CCC[C@H]2Cc2ccccc2OC)cc1F COc1ccccc1[*:1] COc1ccc(cc1F)CNC(=O)N1CCC[C@H]1C[*:1]
COc1ccc(CNC(=O)N2CCC[C@H]2Cc2ccccc2OC)cc1F COc1ccc(cc1F)[*:1] COc1ccccc1C[C@@H]1CCCN1C(=O)NC[*:1]
CC(=O)N[C@H](C)C(=O)OC[C@@H]1CC=CC[C@H]1C CC(=O)N[*:1] C[C@@H]1CC=CC[C@H]1COC(=O)[C@@H](C)[*:1]
CCc1nnc(NC(=O)CCNC(=O)c2ccc(Br)cc2)s1 CCc1nnc(s1)[*:1] O=C(CCNC(=O)c1ccc(Br)cc1)N[*:1]
CCc1nnc(NC(=O)CCNC(=O)c2ccc(Br)cc2)s1 Brc1ccc(cc1)[*:1] CCc1nnc(NC(=O)CCNC(=O)[*:1])s1
CC(C)(C)Cc1ocnc1C[NH3+] CC(C)(C)[*:1] [NH3+]Cc1ncoc1C[*:1]
Cc1ccc2c(c1)N(C(=O)c1nn(-c3ccccc3C(F)(F)F)c(C)cc1=O)CCCO2 FC(F)(F)[*:1] Cc1ccc2OCCCN(C(=O)c3nn(-c4ccccc4[*:1])c(C)cc3=O)c2c1
Cc1ccc2c(c1)N(C(=O)c1nn(-c3ccccc3C(F)(F)F)c(C)cc1=O)CCCO2 FC(F)(F)c1ccccc1[*:1] Cc1ccc2OCCCN(C(=O)c3nn(c(C)cc3=O)[*:1])c2c1
C[C@@H](CCc1ccccc1F)C(=O)O[C@@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](CCc1ccccc1F)C(=O)O[C@@H](C)[*:1]
C[C@@H](CCc1ccccc1F)C(=O)O[C@@H](C)[C@@H]1CCCO1 Fc1ccccc1[*:1] C[C@@H](CC[*:1])C(=O)O[C@@H](C)[C@@H]1CCCO1
COc1cccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)n1 COc1cccc(n1)[*:1] Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[*:1])c1C
COc1cccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)n1 N#Cc1ccc(cc1)[*:1] COc1cccc(n1)C(=O)Nc1c(C)c(C)nn1[*:1]
CCCO/N=C/c1cccc(C)n1 CCC[*:1] Cc1cccc(/C=N/O[*:1])n1
CCc1n[n-]c(S(=O)(=O)Cc2ncc(-c3cccc(OC)c3)o2)n1 COc1cccc(c1)[*:1] CCc1n[n-]c(n1)S(=O)(=O)Cc1ncc(o1)[*:1]
O=C1C[C@@H](c2ccc(O)cc2)c2c(n3ccsc3nc2=O)N1 Oc1ccc(cc1)[*:1] O=C1C[C@@H](c2c(N1)n1ccsc1nc2=O)[*:1]
Cn1ncnc1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] Cn1ncnc1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)O[*:1]
Cn1ncnc1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 Cn1ncnc1[*:1] O=C(NCC[*:1])[C@@H]1C[C@@H]1c1ccc(cc1)OC(F)(F)F
Cn1ncnc1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 Cn1ncnc1C[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1ccc(cc1)OC(F)(F)F
Cn1ncnc1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] Cn1ncnc1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)[*:1]
Cn1ncnc1CCNC(=O)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 Cn1ncnc1CC[*:1] O=C(N[*:1])[C@@H]1C[C@@H]1c1ccc(cc1)OC(F)(F)F
Cn1ncc(C#N)c1NC(=O)C(C)(C)S(C)(=O)=O CS(=O)(=O)[*:1] Cn1ncc(C#N)c1NC(=O)C(C)(C)[*:1]
O=C(CSc1nc([O-])c2cnn(-c3ccccc3)c2n1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(CSc1nc([O-])c2cnn(-c3ccccc3)c2n1)N[*:1]
O=C(CSc1nc([O-])c2cnn(-c3ccccc3)c2n1)Nc1ccccc1Cl c1ccc(cc1)[*:1] O=C(CSc1nc([O-])c2cnn(c2n1)[*:1])Nc1ccccc1Cl
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1ccc(cc1F)[N+](=O)[O-])[*:1]
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(OC)cc1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)c1ccc(cc1F)[*:1])c1ccc(cc1)OC
Cn1c(=O)c2c(-c3ccccc3)n(CCBr)cc2n(C)c1=O BrCC[*:1] Cn1c(=O)c2c(-c3ccccc3)n(cc2n(C)c1=O)[*:1]
Cn1c(=O)c2c(-c3ccccc3)n(CCBr)cc2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c(n(cc2n(C)c1=O)CCBr)[*:1]
Cc1noc([C@@H]2CCCN(C(=O)/C=C/c3ccc(F)cc3)C2)n1 Fc1ccc(cc1)[*:1] Cc1noc(n1)[C@@H]1CCCN(C1)C(=O)C=C[*:1]
Cc1noc([C@@H]2CCCN(C(=O)/C=C/c3ccc(F)cc3)C2)n1 Cc1noc(n1)[*:1] O=C(/C=C/c1ccc(F)cc1)N1CCC[C@H](C1)[*:1]
COc1ccc(C)cc1NC(=O)Cn1c(=O)n(C)c(=O)c2c1c(-c1ccccc1)cn2C COc1ccc(C)cc1[*:1] Cn1c(=O)c2c(c(cn2C)-c2ccccc2)n(CC(=O)N[*:1])c1=O
COc1ccc(C)cc1NC(=O)Cn1c(=O)n(C)c(=O)c2c1c(-c1ccccc1)cn2C c1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)Cn1c(=O)n(C)c(=O)c2c1c(cn2C)[*:1]
CC/C=C(/C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC/C=C(/C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(cc1)[*:1]
CC/C=C(/C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 CCC=C(C)[*:1] O=C1NCCN(C(=O)[*:1])[C@H]1c1ccc(cc1)C(F)(F)F
Cc1cc(C)c(NC(=O)[C@H](C)n2c3ccccc3c3nc(=O)cc(C)n32)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1cc(=O)nc2c3ccccc3n([C@@H](C)C(=O)N[*:1])n12
CCC(=O)N[C@]1(C(F)(F)F)[N-]C(c2ccccc2)=NC1=O c1ccc(cc1)[*:1] CCC(=O)N[C@@]1([N-]C(=NC1=O)[*:1])C(F)(F)F
CCC(=O)N[C@]1(C(F)(F)F)[N-]C(c2ccccc2)=NC1=O CCC(=O)N[*:1] O=C1N=C([N-][C@]1(C(F)(F)F)[*:1])c1ccccc1
CCC(=O)N[C@]1(C(F)(F)F)[N-]C(c2ccccc2)=NC1=O FC(F)(F)[*:1] CCC(=O)N[C@@]1([N-]C(=NC1=O)c1ccccc1)[*:1]
C#Cc1cccc(NC(=O)C(=O)N(C)CCOc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] C#Cc1cccc(c1)NC(=O)C(=O)N(C)CCO[*:1]
C#Cc1cccc(NC(=O)C(=O)N(C)CCOc2ccc(F)cc2)c1 Fc1ccc(cc1)O[*:1] C#Cc1cccc(c1)NC(=O)C(=O)N(C)CC[*:1]
C#Cc1cccc(NC(=O)C(=O)N(C)CCOc2ccc(F)cc2)c1 C#Cc1cccc(c1)[*:1] CN(CCOc1ccc(F)cc1)C(=O)C(=O)N[*:1]
COc1ccc([C@@H]2CC(c3ccccc3)=Nc3nnnn32)c(OC)c1OC c1ccc(cc1)[*:1] COc1ccc(c(OC)c1OC)[C@@H]1CC(=Nc2nnnn21)[*:1]
O=C(/C=C/c1ccncc1)O[C@H]1CCC[C@@H](C(F)(F)F)C1 c1cc(ccn1)[*:1] O=C(C=C[*:1])O[C@H]1CCC[C@H](C1)C(F)(F)F
O=C(/C=C/c1ccncc1)O[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] O=C(/C=C/c1ccncc1)O[C@H]1CCC[C@@H](C1)[*:1]
CCOc1cccc(CNC(=O)Nc2cnccc2C)c1 CCO[*:1] Cc1ccncc1NC(=O)NCc1cccc(c1)[*:1]
CCOc1cccc(CNC(=O)Nc2cnccc2C)c1 Cc1ccncc1[*:1] CCOc1cccc(c1)CNC(=O)N[*:1]
C=CCOc1ccccc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 C=CC[*:1] FC(F)(F)c1cccc(c1)N1CCN(CC1)Cc1ccccc1O[*:1]
C=CCOc1ccccc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] C=CCOc1ccccc1CN1CCN(CC1)c1cccc(c1)[*:1]
C=CCOc1ccccc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 C=CCO[*:1] FC(F)(F)c1cccc(c1)N1CCN(CC1)Cc1ccccc1[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)o2)c1 Cc1cc(C)cc(c1)[*:1] N#CCCN(C(=O)CSc1nnc(o1)-c1ccncc1)[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)o2)c1 c1cc(ccn1)[*:1] Cc1cc(C)cc(c1)N(CCC#N)C(=O)CSc1nnc(o1)[*:1]
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)o2)c1 N#CC[*:1] Cc1cc(C)cc(c1)N(C[*:1])C(=O)CSc1nnc(o1)-c1ccncc1
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)o2)c1 N#CCC[*:1] Cc1cc(C)cc(c1)N(C(=O)CSc1nnc(o1)-c1ccncc1)[*:1]
CC(=O)c1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Fc1ccccc1C[*:1] CC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)O[*:1]
CC(=O)c1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] CC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)OC[*:1]
CC(=O)c1ccc(C(=O)N2CCC(OCc3ccccc3F)CC2)cc1 CC(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)OCc1ccccc1F
O=S(=O)(c1cccc(-c2csc(N/N=C/c3cccc(O)c3)n2)c1)N1CCCCCC1 Oc1cccc(c1)[*:1] O=S(=O)(c1cccc(c1)-c1csc(n1)NN=C[*:1])N1CCCCCC1
O=S(=O)(c1cccc(-c2csc(N/N=C/c3cccc(O)c3)n2)c1)N1CCCCCC1 O=S(=O)(N1CCCCCC1)[*:1] Oc1cccc(/C=N/Nc2nc(cs2)-c2cccc(c2)[*:1])c1
O=S(=O)(c1cccc(-c2csc(N/N=C/c3cccc(O)c3)n2)c1)N1CCCCCC1 Oc1cccc(/C=N/N[*:1])c1 O=S(=O)(c1cccc(c1)-c1csc(n1)[*:1])N1CCCCCC1
CCCn1cc[nH+]c1C[C@@]1(O)CCSC1 CCC[*:1] O[C@@]1(CCSC1)Cc1[nH+]ccn1[*:1]
O=C(N/[NH+]=C\N1CCCc2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/[NH+]=C\N1CCCc2ccccc21)[*:1]
COc1ccc(OC(=O)[C@H](C)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(OC(=O)[C@H](C)Oc2ccc(Br)cc2)c(c1)[*:1]
COc1ccc(OC(=O)[C@H](C)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 Brc1ccc(cc1)O[*:1] COc1ccc(OC(=O)[C@H](C)[*:1])c(c1)[N+](=O)[O-]
COc1ccc(OC(=O)[C@H](C)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 Brc1ccc(cc1)[*:1] COc1ccc(OC(=O)[C@H](C)O[*:1])c(c1)[N+](=O)[O-]
CNC(=O)CCNC(=O)CN1CCC([NH3+])CC1 CNC(=O)C[*:1] [NH3+]C1CCN(CC1)CC(=O)NC[*:1]
CNC(=O)CCNC(=O)CN1CCC([NH3+])CC1 CNC(=O)[*:1] [NH3+]C1CCN(CC1)CC(=O)NCC[*:1]
CNC(=O)c1cccc(CCNC(=O)N(C2CC2)[C@@H](C)C(C)C)c1 CC(C)[*:1] CNC(=O)c1cccc(c1)CCNC(=O)N(C1CC1)[C@@H](C)[*:1]
CNC(=O)c1cccc(CCNC(=O)N(C2CC2)[C@@H](C)C(C)C)c1 C1CC1[*:1] CNC(=O)c1cccc(c1)CCNC(=O)N([C@@H](C)C(C)C)[*:1]
CNC(=O)c1cccc(CCNC(=O)N(C2CC2)[C@@H](C)C(C)C)c1 CNC(=O)[*:1] CC(C)[C@H](C)N(C(=O)NCCc1cccc(c1)[*:1])C1CC1
Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 CC(C)(C)[*:1] Cc1nc(sc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1)[*:1]
Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 CN1CCO[C@@H](C1)[*:1] Cc1nc(sc1[C@@H](C)[NH2+][C@@H](C)[*:1])C(C)(C)C
Clc1c[nH]nc1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 Clc1c[nH]nc1[*:1] c1ccc(cc1)-n1ncc2c1ncn1nc(nc21)[*:1]
Clc1c[nH]nc1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 c1ccc(cc1)[*:1] Clc1c[nH]nc1-c1nc2c3cnn(c3ncn2n1)[*:1]
O=C([O-])c1ccc(C[NH2+]CCOc2ccccc2)nc1 O=C([O-])[*:1] c1ccc(cc1)OCC[NH2+]Cc1ccc(cn1)[*:1]
O=C([O-])c1ccc(C[NH2+]CCOc2ccccc2)nc1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(C[NH2+]CCO[*:1])nc1
CN(c1ccccc1)c1ccc(CNC(=O)C2=NN=C(C3CC3)C2)cn1 C1CC1[*:1] CN(c1ccccc1)c1ccc(cn1)CNC(=O)C1CC(=NN=1)[*:1]
CN(c1ccccc1)c1ccc(CNC(=O)C2=NN=C(C3CC3)C2)cn1 CN(c1ccccc1)[*:1] O=C(NCc1ccc(nc1)[*:1])C1CC(=NN=1)C1CC1
CN(c1ccccc1)c1ccc(CNC(=O)C2=NN=C(C3CC3)C2)cn1 c1ccc(cc1)[*:1] CN(c1ccc(cn1)CNC(=O)C1CC(=NN=1)C1CC1)[*:1]
CN1C(=O)C[C@H](NC(=O)NCC(=O)NC2CC2)[C@@H]1c1ccc(Cl)cc1 O=C(NC1CC1)[*:1] CN1C(=O)C[C@H](NC(=O)NC[*:1])[C@@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NC(=O)NCC(=O)NC2CC2)[C@@H]1c1ccc(Cl)cc1 C1CC1[*:1] CN1C(=O)C[C@H](NC(=O)NCC(=O)N[*:1])[C@@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@H](NC(=O)NCC(=O)NC2CC2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@H](NC(=O)NCC(=O)NC2CC2)[C@H]1[*:1]
CN1C(=O)C[C@H](NC(=O)NCC(=O)NC2CC2)[C@@H]1c1ccc(Cl)cc1 O=C(C[*:1])NC1CC1 CN1C(=O)C[C@H](NC(=O)N[*:1])[C@@H]1c1ccc(Cl)cc1
O=C(CCc1ccccc1OC(F)(F)F)N[C@H]1c2ccccc2C[C@@H]1O FC(F)(F)O[*:1] O=C(CCc1ccccc1[*:1])N[C@H]1c2ccccc2C[C@@H]1O
O=C(CCc1ccccc1OC(F)(F)F)N[C@H]1c2ccccc2C[C@@H]1O FC(F)(F)[*:1] O=C(CCc1ccccc1O[*:1])N[C@H]1c2ccccc2C[C@@H]1O
Cn1nncc1CN(CCc1ccccc1)[C@@H]1CCOC1 Cn1nncc1[*:1] c1ccc(cc1)CCN(C[*:1])[C@@H]1CCOC1
Cn1nncc1CN(CCc1ccccc1)[C@@H]1CCOC1 c1ccc(cc1)[*:1] Cn1nncc1CN(CC[*:1])[C@@H]1CCOC1
Cn1nncc1CN(CCc1ccccc1)[C@@H]1CCOC1 c1ccc(cc1)C[*:1] Cn1nncc1CN(C[*:1])[C@@H]1CCOC1
Cn1nncc1CN(CCc1ccccc1)[C@@H]1CCOC1 Cn1nncc1C[*:1] c1ccc(cc1)CCN([C@@H]1CCOC1)[*:1]
CC(C)(C)OC(=O)N1CC[C@H](CNc2cccc(Br)c2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@H](CNc2cccc(Br)c2)C1
CC(C)(C)OC(=O)N1CC[C@H](CNc2cccc(Br)c2)C1 Brc1cccc(c1)[*:1] CC(C)(C)OC(=O)N1CC[C@H](CN[*:1])C1
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCN([C@H](C)C(N)=O)CC1 Fc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1CN1CCN(CC1)[C@H](C)C(N)=O)[*:1]
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCN([C@H](C)C(N)=O)CC1 C[C@H](C(N)=O)[*:1] Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCN(CC1)[*:1]
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCN([C@H](C)C(N)=O)CC1 NC(=O)[*:1] Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCN(CC1)[C@H](C)[*:1]
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CCN([C@H](C)C(N)=O)CC1 Fc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1CN1CCN(CC1)[C@H](C)C(N)=O
COc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1OCC(=O)N1CCOCC1 O=C(CO[*:1])N1CCOCC1 COc1cc(ccc1[*:1])C(=O)Nc1ccccc1-c1ccccc1
COc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1OCC(=O)N1CCOCC1 c1ccc(cc1)[*:1] COc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)Nc1ccccc1[*:1]
COc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1OCC(=O)N1CCOCC1 O=C(C[*:1])N1CCOCC1 COc1cc(ccc1O[*:1])C(=O)Nc1ccccc1-c1ccccc1
COc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1OCC(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] COc1cc(ccc1OC[*:1])C(=O)Nc1ccccc1-c1ccccc1
N#CC1(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CCCC1 N#CC1(CCCC1)NC(=O)[*:1] O=C1N[C@@](Cc2ccccc2)(C(=O)N1C[*:1])c1ccccc1
N#CC1(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CCCC1 c1ccc(cc1)[*:1] N#CC1(CCCC1)NC(=O)CN1C(=O)N[C@@](C[*:1])(C1=O)c1ccccc1
N#CC1(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CCCC1 N#CC1(CCCC1)[*:1] O=C(CN1C(=O)N[C@@](Cc2ccccc2)(C1=O)c1ccccc1)N[*:1]
N#CC1(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CCCC1 c1ccc(cc1)[*:1] N#CC1(CCCC1)NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(C1=O)[*:1]
N#CC1(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CCCC1 c1ccc(cc1)C[*:1] N#CC1(CCCC1)NC(=O)CN1C(=O)N[C@@](C1=O)(c1ccccc1)[*:1]
Cc1c(NC(=O)Cc2cccs2)cccc1-n1cnnn1 c1nnnn1[*:1] Cc1c(cccc1[*:1])NC(=O)Cc1cccs1
Cc1c(NC(=O)Cc2cccs2)cccc1-n1cnnn1 c1csc(c1)C[*:1] Cc1c(cccc1-n1cnnn1)NC(=O)[*:1]
Cc1c(NC(=O)Cc2cccs2)cccc1-n1cnnn1 c1csc(c1)[*:1] Cc1c(cccc1-n1cnnn1)NC(=O)C[*:1]
COc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCCC[C@@H]1C Fc1cc(Cl)ccc1[*:1] COc1ccc(cc1S(=O)(=O)N1CCCC[C@@H]1C)C(=O)N[*:1]
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 Cc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)N2CCOCC2)C1=O)[*:1]
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1)[C@@]1(C)NC(=O)N(C[*:1])C1=O
CCOC(=O)[C@H](C)OC(=O)c1cn(C)nc1-c1cccs1 c1csc(c1)[*:1] CCOC(=O)[C@H](C)OC(=O)c1cn(C)nc1[*:1]
CCOC(=O)[C@H](C)OC(=O)c1cn(C)nc1-c1cccs1 CCOC(=O)[C@H](C)[*:1] Cn1cc(C(=O)O[*:1])c(n1)-c1cccs1
CCOC(=O)[C@H](C)OC(=O)c1cn(C)nc1-c1cccs1 CCOC(=O)[*:1] C[C@H](OC(=O)c1cn(C)nc1-c1cccs1)[*:1]
CCOC(=O)C1CCC([NH+]2CCC(NC(N)=O)CC2)CC1 CCOC(=O)[*:1] NC(=O)NC1CC[NH+](CC1)C1CCC(CC1)[*:1]
CCOC(=O)C1CCC([NH+]2CCC(NC(N)=O)CC2)CC1 NC(=O)N[*:1] CCOC(=O)C1CCC(CC1)[NH+]1CCC(CC1)[*:1]
CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CCC2 CCCCC[C@@H](C)[*:1] O=C(Nc1ccc2CCCc2c1)C(=O)N[*:1]
CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CCC2 CCCCC[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc2CCCc2c1)[*:1]
CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CCC2 CCC[*:1] C[C@H](CC[*:1])NC(=O)C(=O)Nc1ccc2CCCc2c1
CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CCC2 CCCC[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1ccc2CCCc2c1
COc1ccc([C@@H]2C[C@H]2NC(=O)C(=O)Nc2cccnc2OC)cc1 COc1ccc(cc1)[*:1] COc1ncccc1NC(=O)C(=O)N[C@@H]1C[C@H]1[*:1]
COc1ccc([C@@H]2C[C@H]2NC(=O)C(=O)Nc2cccnc2OC)cc1 COc1ncccc1[*:1] COc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)C(=O)N[*:1]
Cc1n[nH]c(SCCC(=O)N[C@@H](c2ccccc2)[C@@H]2C[C@@H]2C)n1 Cc1n[nH]c(n1)[*:1] C[C@H]1C[C@H]1[C@@H](NC(=O)CCS[*:1])c1ccccc1
Cc1n[nH]c(SCCC(=O)N[C@@H](c2ccccc2)[C@@H]2C[C@@H]2C)n1 Cc1n[nH]c(n1)S[*:1] C[C@H]1C[C@H]1[C@@H](NC(=O)CC[*:1])c1ccccc1
Cc1n[nH]c(SCCC(=O)N[C@@H](c2ccccc2)[C@@H]2C[C@@H]2C)n1 c1ccc(cc1)[*:1] Cc1n[nH]c(n1)SCCC(=O)N[C@@H]([C@@H]1C[C@@H]1C)[*:1]
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(Br)c3c(c1)OCO3)n2CCOC CCC[*:1] COCCn1c(nc2c1c(=O)[nH]c(=O)n2[*:1])-c1cc(Br)c2OCOc2c1
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(Br)c3c(c1)OCO3)n2CCOC COCC[*:1] CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(Br)c3OCOc3c1)n2[*:1]
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(Br)c3c(c1)OCO3)n2CCOC COC[*:1] CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(Br)c3OCOc3c1)n2C[*:1]
O=C(C[NH+]1CC=C(c2ccccc2)CC1)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 O=S(=O)(/N=C1\CCCN1)[*:1] O=C(C[NH+]1CC=C(CC1)c1ccccc1)Nc1cccc(c1)[*:1]
O=C(C[NH+]1CC=C(c2ccccc2)CC1)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 c1ccc(cc1)[*:1] O=C(C[NH+]1CC=C(CC1)[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1\CCCN1
COc1ccc(C(=O)N=c2c(C#N)cc3c(=O)n4cccc(C)c4nc3n2Cc2ccco2)cc1OC c1coc(c1)C[*:1] COc1ccc(cc1OC)C(=O)N=c1c(C#N)cc2c(=O)n3cccc(C)c3nc2n1[*:1]
COc1ccc(C(=O)N=c2c(C#N)cc3c(=O)n4cccc(C)c4nc3n2Cc2ccco2)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)C(=O)N=c1c(C#N)cc2c(=O)n3cccc(C)c3nc2n1C[*:1]
COc1ccc(C(=O)N=c2c(C#N)cc3c(=O)n4cccc(C)c4nc3n2Cc2ccco2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)[*:1])n(Cc4ccco4)c3nc12
O=C(/C=C/c1ccco1)NCC(=O)OCc1ccccc1Cl C(=C[*:1])c1ccco1 O=C(CNC(=O)[*:1])OCc1ccccc1Cl
O=C(/C=C/c1ccco1)NCC(=O)OCc1ccccc1Cl c1coc(c1)[*:1] O=C(C=C[*:1])NCC(=O)OCc1ccccc1Cl
O=C(/C=C/c1ccco1)NCC(=O)OCc1ccccc1Cl Clc1ccccc1[*:1] O=C(/C=C/c1ccco1)NCC(=O)OC[*:1]
O=C(NCCO)/C(=C\c1ccco1)NC(=O)c1ccccc1I OCC[*:1] O=C(N[*:1])/C(=C\c1ccco1)NC(=O)c1ccccc1I
O=C(NCCO)/C(=C\c1ccco1)NC(=O)c1ccccc1I Ic1ccccc1[*:1] O=C(NCCO)/C(=C\c1ccco1)NC(=O)[*:1]
O=C(NCCO)/C(=C\c1ccco1)NC(=O)c1ccccc1I c1coc(c1)[*:1] O=C(NCCO)C(=C[*:1])NC(=O)c1ccccc1I
O=C(NCCO)/C(=C\c1ccco1)NC(=O)c1ccccc1I O=C(NCCO)[*:1] O=C(N/C(=C/c1ccco1)[*:1])c1ccccc1I
CCOC(=O)Cc1nc2cc(F)ccc2n1CC CCOC(=O)[*:1] CCn1c(C[*:1])nc2cc(F)ccc21
CCOC(=O)Cc1nc2cc(F)ccc2n1CC CCOC(=O)C[*:1] CCn1c(nc2cc(F)ccc21)[*:1]
CCc1nnc2n1CCN(C(=O)C1CCC(n3cccc3)CC1)C2 c1ccn(c1)[*:1] CCc1nnc2CN(CCn12)C(=O)C1CCC(CC1)[*:1]
C=C(C)C[NH+](CC)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 C=C(C)[*:1] CC[NH+](CC(=O)Nc1sc2CCCCc2c1C(N)=O)C[*:1]
C=C(C)C[NH+](CC)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 NC(=O)[*:1] C=C(C)C[NH+](CC)CC(=O)Nc1sc2CCCCc2c1[*:1]
CCC(C)(C)NC(=O)c1ccc(NCc2ccccc2C#N)cc1Cl CCC(C)(C)[*:1] N#Cc1ccccc1CNc1ccc(C(=O)N[*:1])c(Cl)c1
CCC(C)(C)NC(=O)c1ccc(NCc2ccccc2C#N)cc1Cl CCC(C)(C)NC(=O)[*:1] N#Cc1ccccc1CNc1ccc(c(Cl)c1)[*:1]
CCC(C)(C)NC(=O)c1ccc(NCc2ccccc2C#N)cc1Cl N#Cc1ccccc1[*:1] CCC(C)(C)NC(=O)c1ccc(cc1Cl)NC[*:1]
CC1=CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1 C1CO[C@H](C1)C[*:1] CC1=CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CC1=CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1 C1CO[C@H](C1)[*:1] CC1=CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)NC[*:1]
O=C(Cc1noc2ccccc12)Nc1cccc(Oc2cnccn2)c1 c1cnc(cn1)[*:1] O=C(Cc1noc2ccccc12)Nc1cccc(c1)O[*:1]
O=C(Cc1noc2ccccc12)Nc1cccc(Oc2cnccn2)c1 c1cnc(cn1)O[*:1] O=C(Cc1noc2ccccc12)Nc1cccc(c1)[*:1]
CC(C)C[C@@H](C)[NH2+][C@H](C)CC(C)C CC(C)C[*:1] CC(C)C[C@@H](C)[NH2+][C@H](C)[*:1]
CC(C)C[C@@H](C)[NH2+][C@H](C)CC(C)C CC(C)[*:1] CC(C)C[C@@H](C)[NH2+][C@H](C)C[*:1]
CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH+]1CCCC1)C2 O=C(N1CCSCC1)[*:1] CCn1nc(c2C[C@H](CCc21)[NH+]1CCCC1)[*:1]
CC[C@@H](NC(=O)N[C@H](C)CC[NH+](C)C)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)N[C@H](C)CC[NH+](C)C)[*:1]
CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c1 O=[N+]([O-])[*:1] CC(=O)Nc1cccc(c1)NC(=O)Cn1nc(ccc1=O)-c1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c1 O=[N+]([O-])c1cccc(c1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)Cn1nc(ccc1=O)[*:1]
CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(Cn1nc(ccc1=O)-c1cccc(c1)[N+](=O)[O-])N[*:1]
CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c1 CC(=O)N[*:1] O=C(Cn1nc(ccc1=O)-c1cccc(c1)[N+](=O)[O-])Nc1cccc(c1)[*:1]
O=C(NCCn1cccc1)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccn(c1)CC[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)N[*:1]
O=C(NCCn1cccc1)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccn(c1)C[*:1] O=C(NC[C@H]1CN(CCO1)Cc1ccccc1)NC[*:1]
O=C(NCCn1cccc1)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)[*:1] O=C(NCCn1cccc1)NC[C@H]1CN(CCO1)C[*:1]
O=C(NCCn1cccc1)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccn(c1)[*:1] O=C(NCC[*:1])NC[C@H]1CN(CCO1)Cc1ccccc1
O=C(NCCn1cccc1)NC[C@H]1CN(Cc2ccccc2)CCO1 c1ccc(cc1)C[*:1] O=C(NCCn1cccc1)NC[C@H]1CN(CCO1)[*:1]
CCCn1c[nH+]cc1COc1ccc(C)nc1C[NH3+] CCC[*:1] Cc1ccc(OCc2c[nH+]cn2[*:1])c(C[NH3+])n1
C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc2c(c1)OCCO2 c1coc(c1)C[*:1] C[C@@H](NC(=O)N(Cc1ccccc1)[*:1])c1ccc2OCCOc2c1
C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N(Cc1ccco1)C[*:1])c1ccc2OCCOc2c1
C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc2c(c1)OCCO2 c1coc(c1)[*:1] C[C@@H](NC(=O)N(Cc1ccccc1)C[*:1])c1ccc2OCCOc2c1
C[C@@H](NC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc2c(c1)OCCO2 c1ccc(cc1)C[*:1] C[C@@H](NC(=O)N(Cc1ccco1)[*:1])c1ccc2OCCOc2c1
Cc1ccccc1-c1noc([C@H](C)[S@@](=O)c2ccc(F)c(F)c2)n1 Fc1ccc(cc1F)[*:1] Cc1ccccc1-c1noc(n1)[C@H](C)[S@@](=O)[*:1]
Cc1ccccc1-c1noc([C@H](C)[S@@](=O)c2ccc(F)c(F)c2)n1 Cc1ccccc1[*:1] C[C@@H](c1nc(no1)[*:1])[S@@](=O)c1ccc(F)c(F)c1
COC(C)(C)CNC(=O)NC[C@H](O)c1ccc2ccccc2c1 COC(C)(C)C[*:1] O=C(NC[C@H](O)c1ccc2ccccc2c1)N[*:1]
COC(C)(C)CNC(=O)NC[C@H](O)c1ccc2ccccc2c1 COC(C)(C)[*:1] O=C(NC[C@H](O)c1ccc2ccccc2c1)NC[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1nc(C2CC2)no1 CC(C)[*:1] O=C(Nc1ccc(cc1)C(=O)NC1CC1)N[C@@H](c1nc(no1)C1CC1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1nc(C2CC2)no1 O=C(NC1CC1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)[*:1])c1nc(no1)C1CC1
CC(C)[C@@H](NC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1nc(C2CC2)no1 C1CC1c1noc(n1)[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)C(=O)NC1CC1)[*:1]
CC(C)[C@@H](NC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)C(=O)N[*:1])c1nc(no1)C1CC1
CC(C)[C@@H](NC(=O)Nc1ccc(C(=O)NC2CC2)cc1)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)[C@@H](NC(=O)Nc1ccc(cc1)C(=O)NC1CC1)c1nc(no1)[*:1]
CC(C)(C)c1ccc(OCc2nnc(SCC(=O)[O-])o2)cc1 O=C([O-])C[*:1] CC(C)(C)c1ccc(cc1)OCc1nnc(o1)S[*:1]
CC(C)(C)c1ccc(OCc2nnc(SCC(=O)[O-])o2)cc1 O=C([O-])[*:1] CC(C)(C)c1ccc(cc1)OCc1nnc(o1)SC[*:1]
CC(C)(C)c1ccc(OCc2nnc(SCC(=O)[O-])o2)cc1 O=C([O-])CS[*:1] CC(C)(C)c1ccc(cc1)OCc1nnc(o1)[*:1]
CC(C)(C)c1ccc(OCc2nnc(SCC(=O)[O-])o2)cc1 CC(C)(C)[*:1] O=C([O-])CSc1nnc(COc2ccc(cc2)[*:1])o1
CCOc1ccc(NC(=O)NCCCc2nnc3n2CCCCC3)cc1Cl CCO[*:1] O=C(NCCCc1nnc2CCCCCn21)Nc1ccc(c(Cl)c1)[*:1]
Cc1cscc1C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 Cc1cscc1[*:1] Cn1cc(cn1)C(=O)C[C@@H]1CCCN1C(=O)[*:1]
Cc1cscc1C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1cscc1C(=O)N1CCC[C@H]1CC(=O)[*:1]
O=C(NCCc1nc2ccccc2s1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCCc1nc2ccccc2s1)[*:1]
CCc1ccsc1CNC(=O)NC[C@@H](O)c1cccc(OC)c1 CCc1ccsc1[*:1] COc1cccc(c1)[C@H](O)CNC(=O)NC[*:1]
CC(C)(Cc1ccccc1)[N+]([O-])=Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)(Cc1ccccc1)[N+]([O-])=C[*:1]
CC(C)(Cc1ccccc1)[N+]([O-])=Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C[*:1])[N+]([O-])=Cc1ccccc1
Nc1nc(Cl)cc(Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1 Nc1nc(Cl)cc(n1)[*:1] c1ccc(cc1)-c1cnc(S[*:1])n1C[C@@H]1CCCO1
Nc1nc(Cl)cc(Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1 c1ccc(cc1)[*:1] Nc1nc(Cl)cc(n1)Sc1ncc(n1C[C@@H]1CCCO1)[*:1]
O=C([O-])C[NH2+]Cc1cccs1 O=C([O-])[*:1] c1csc(c1)C[NH2+]C[*:1]
C/C=C(/C)C(=O)O[C@@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O C/C=C(/C)C(=O)O[*:1] CC(C)(O)[C@H](COc1c2ccoc2cc2oc(=O)ccc12)[*:1]
C/C=C(/C)C(=O)O[C@@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O CC=C(C)[*:1] CC(C)(O)[C@H](COc1c2ccoc2cc2oc(=O)ccc12)OC(=O)[*:1]
C/C=C(/C)C(=O)O[C@@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O CC(C)(O)[*:1] C/C=C(/C)C(=O)O[C@@H](COc1c2ccoc2cc2oc(=O)ccc12)[*:1]
CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(OC)c(OC)c1 CCC[*:1] COc1ccc(cc1OC)C(=O)N1CCC[C@@H](C)[C@H]1[*:1]
C[C@H]1CN(C[C@@H](CS)c2ccccc2)[C@H](C)CO1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](CS)[*:1])[C@H](C)CO1
COC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)C2=O)cc1 COC(=O)[*:1] O=C(CN1CCN(C1=O)c1cccc(Cl)c1)Nc1ccc(cc1)[*:1]
COC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)C2=O)cc1 Clc1cccc(c1)[*:1] COC(=O)c1ccc(cc1)NC(=O)CN1CCN(C1=O)[*:1]
Cc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2c1C C1CN(CCO1)[*:1] Cc1ccc2sc(nc2c1C)N(CC[*:1])C(=O)c1cc(ccc1Cl)[N+](=O)[O-]
Cc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2c1C O=[N+]([O-])[*:1] Cc1ccc2sc(nc2c1C)N(CCN1CCOCC1)C(=O)c1cc(ccc1Cl)[*:1]
Cc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2c1C O=[N+]([O-])c1ccc(Cl)c(c1)[*:1] Cc1ccc2sc(nc2c1C)N(CCN1CCOCC1)C(=O)[*:1]
Cc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2c1C C1CN(CCO1)C[*:1] Cc1ccc2sc(nc2c1C)N(C[*:1])C(=O)c1cc(ccc1Cl)[N+](=O)[O-]
Cc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2c1C C1CN(CCO1)CC[*:1] Cc1ccc2sc(nc2c1C)N(C(=O)c1cc(ccc1Cl)[N+](=O)[O-])[*:1]
C=CC[NH2+]CC(=O)N1CCC[C@@H]1C(=O)[O-] O=C([O-])[*:1] C=CC[NH2+]CC(=O)N1CCC[C@H]1[*:1]
C=CC[NH2+]CC(=O)N1CCC[C@@H]1C(=O)[O-] C=CC[*:1] O=C([O-])[C@H]1CCCN1C(=O)C[NH2+][*:1]
C[C@@H](NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)c1cc(F)ccc1N1CCC(O)CC1 OC1CCN(CC1)[*:1] C[C@@H](NC(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C)c1cc(F)ccc1[*:1]
O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](N2CCCC2=O)C1 O=C1CCCN1[*:1] O=C(N[C@H]1CC(=O)N(C1)C1CC1)N1CCC[C@H](C1)[*:1]
O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](N2CCCC2=O)C1 C1CC1[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])N1CCC[C@@H](C1)N1CCCC1=O
COC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@@H]1C(=C(N)Oc2[nH]nc(C)c21)[*:1]
CCC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 CCC(=O)[*:1] C[C@H](c1ccc(Cl)c(Cl)c1)[*:1]
COCCNC(=O)c1c(F)ccc(N)c1F COCC[*:1] Nc1ccc(F)c(C(=O)N[*:1])c1F
COCCNC(=O)c1c(F)ccc(N)c1F COC[*:1] Nc1ccc(F)c(C(=O)NC[*:1])c1F
[NH3+][C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@@H]12 O=C([O-])[*:1] [NH3+][C@@H]1C(=O)N2C(=CCS[C@@H]12)[*:1]
CC(C)[NH+](CCNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)C(C)C C1CN(CCO1)C[*:1] CC(C)[NH+](CCNC(=O)N1CCC[C@@H](C1)[*:1])C(C)C
CC(C)[NH+](CCNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)C(C)C C1CN(CCO1)[*:1] CC(C)[NH+](CCNC(=O)N1CCC[C@H](C1)C[*:1])C(C)C
CC(C)[NH+](CCNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)C(C)C CC(C)[*:1] CC(C)[NH+](CCNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)[*:1]
NC(=O)c1ccc(/C=C/C(=O)NCCC(=O)NC2CCCC2)cc1 O=C(NC1CCCC1)[*:1] NC(=O)c1ccc(/C=C/C(=O)NCC[*:1])cc1
NC(=O)c1ccc(/C=C/C(=O)NCCC(=O)NC2CCCC2)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NCCC(=O)NC1CCCC1
NC(=O)c1ccc(/C=C/C(=O)NCCC(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] NC(=O)c1ccc(/C=C/C(=O)NCCC(=O)N[*:1])cc1
O=C(CN1CCOC[C@H]1C1CC1)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] O=C(CN1CCOC[C@H]1C1CC1)N1CCN(CC1)[*:1]
O=C(CN1CCOC[C@H]1C1CC1)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(CN1CCOC[C@H]1C1CC1)N1CCN(CC1)C[*:1]
O=C(CN1CCOC[C@H]1C1CC1)N1CCN(Cc2ccc(Cl)cc2)CC1 C1CC1[*:1] O=C(CN1CCOC[C@@H]1[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
COc1ccc(CNc2nc3nc(CN4CCOCC4)cc([O-])n3n2)cc1OC C1CN(CCO1)C[*:1] COc1ccc(cc1OC)CNc1nc2nc(cc([O-])n2n1)[*:1]
COc1ccc(CNc2nc3nc(CN4CCOCC4)cc([O-])n3n2)cc1OC C1CN(CCO1)[*:1] COc1ccc(cc1OC)CNc1nc2nc(cc([O-])n2n1)C[*:1]
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCS(=O)(=O)C1 C1C[C@@H](SS1)[*:1] O=C(CCCC[*:1])N[C@@H]1CCS(=O)(=O)C1
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCS(=O)(=O)C1 C1C[C@H](C[*:1])SS1 O=C(CCC[*:1])N[C@@H]1CCS(=O)(=O)C1
CC(C)[C@@H](CO)Nc1ccc2scnc2c1N CC(C)[*:1] Nc1c(ccc2scnc12)N[C@H](CO)[*:1]
O=C(Nc1ccccc1OCC1CC1)c1ccc(-c2ccccc2)[nH]c1=O C1CC1C[*:1] O=C(Nc1ccccc1O[*:1])c1ccc([nH]c1=O)-c1ccccc1
O=C(Nc1ccccc1OCC1CC1)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] O=C(Nc1ccccc1OCC1CC1)c1ccc([nH]c1=O)[*:1]
O=C(Nc1ccccc1OCC1CC1)c1ccc(-c2ccccc2)[nH]c1=O C1CC1[*:1] O=C(Nc1ccccc1OC[*:1])c1ccc([nH]c1=O)-c1ccccc1
O=C(Nc1ccccc1OCC1CC1)c1ccc(-c2ccccc2)[nH]c1=O C1CC1CO[*:1] O=C(Nc1ccccc1[*:1])c1ccc([nH]c1=O)-c1ccccc1
C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O c1cc2OCOc2cc1[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc3OCCOc3c2)C1=O)[*:1]
C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O c1cc2OCCOc2cc1[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2OCOc2c1
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 Brc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC1(CCOCC1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 CC(C)(C)[*:1] O=C(NCC1(CCOCC1)c1ccc(Br)cc1)[C@@H]1CCCN1C(=O)O[*:1]
CSCC[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)C(=O)[O-] CSC[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C[*:1])C(=O)[O-]
CSCC[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)C(=O)[O-] CSCC[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C(=O)[O-])[*:1]
CSCC[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)C(=O)[O-] O=C([O-])[*:1] CSCC[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[*:1]
COC(=O)N1CC[C@@H](NC(=O)C2(c3ccc(F)cc3F)CCOCC2)C1 Fc1ccc(c(F)c1)[*:1] COC(=O)N1CC[C@H](C1)NC(=O)C1(CCOCC1)[*:1]
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 c1cc2OCOc2cc1[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)N1CCOCC1)[*:1]
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 O=C(N1CCOCC1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1[*:1])c1ccc2OCOc2c1
C/C=C/c1ccc(OCC(=O)N[C@@H]2CC[C@H](SC)C2)c(OC)c1 CC=C[*:1] COc1cc(ccc1OCC(=O)N[C@@H]1CC[C@@H](C1)SC)[*:1]
Cc1ccc(C[C@@H](C)n2c(CCl)nc3c(C)nn(C)c32)s1 Cc1ccc(C[*:1])s1 Cc1nn(C)c2c1nc(CCl)n2[C@H](C)[*:1]
Cc1ccc(C[C@@H](C)n2c(CCl)nc3c(C)nn(C)c32)s1 Cc1ccc(s1)[*:1] Cc1nn(C)c2c1nc(CCl)n2[C@H](C)C[*:1]
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)ccc2OC)C1=O CCOC(=O)[*:1] COc1ccc(OC)c(/C=C2/SC(=O)N(C2=O)[C@@H](C)[*:1])c1
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)ccc2OC)C1=O CCOC(=O)[C@H](C)[*:1] COc1ccc(OC)c(/C=C2/SC(=O)N(C2=O)[*:1])c1
CN(C1CCCCC1)S(=O)(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C C1CCC(CC1)[*:1] CN(S(=O)(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C)[*:1]
CN(C1CCCCC1)S(=O)(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C c1ccc(cc1)[*:1] CN(C1CCCCC1)S(=O)(=O)N[C@@H](c1nc2ccccc2n1C)[*:1]
Cc1c(Cl)cccc1NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C CC(C)[*:1] Cc1c(Cl)cccc1NC(=O)[C@@H](NC(=O)c1ccccc1)[*:1]
Cc1c(Cl)cccc1NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C Cc1c(Cl)cccc1[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)[C@@H](NC(=O)[*:1])C(C)C
COCCN(Cc1ccc(F)cc1)Cc1ccc(F)cc1Cl COC[*:1] Fc1ccc(cc1)CN(Cc1ccc(F)cc1Cl)C[*:1]
COCCN(Cc1ccc(F)cc1)Cc1ccc(F)cc1Cl Fc1ccc(cc1)[*:1] COCCN(Cc1ccc(F)cc1Cl)C[*:1]
COCCN(Cc1ccc(F)cc1)Cc1ccc(F)cc1Cl COCC[*:1] Fc1ccc(cc1)CN(Cc1ccc(F)cc1Cl)[*:1]
O=C(c1nc(-c2cnccn2)no1)N1CCN(c2ncccn2)CC1 c1cnc(cn1)[*:1] O=C(c1nc(no1)[*:1])N1CCN(CC1)c1ncccn1
O=C(c1nc(-c2cnccn2)no1)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1nc(no1)-c1cnccn1)N1CCN(CC1)[*:1]
COC(=O)C1=C(C(C)=O)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 COC(=O)[*:1] CC(=O)C1=C(OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1)[*:1]
COC(=O)C1=C(C(C)=O)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 Clc1cccc(c1)[*:1] COC(=O)C1OC(N)=C(C#N)[C@H](C=1C(C)=O)[*:1]
COC(=O)C1=C(C(C)=O)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 CC(=O)[*:1] COC(=O)C1OC(N)=C(C#N)[C@@H](C=1[*:1])c1cccc(Cl)c1
Cc1sc2nc(Sc3ncc(C(N)=O)cc3Cl)n(C)c(=O)c2c1C NC(=O)[*:1] Cc1sc2nc(Sc3ncc(cc3Cl)[*:1])n(C)c(=O)c2c1C
CC(=O)NCC[C@H]1CCCN(c2cc(C)ncn2)C1 CC(=O)NCC[*:1] Cc1cc(ncn1)N1CCC[C@@H](C1)[*:1]
CC(=O)NCC[C@H]1CCCN(c2cc(C)ncn2)C1 CC(=O)NC[*:1] Cc1cc(ncn1)N1CCC[C@@H](C1)C[*:1]
CC(=O)NCC[C@H]1CCCN(c2cc(C)ncn2)C1 CC(=O)N[*:1] Cc1cc(ncn1)N1CCC[C@H](CC[*:1])C1
Cc1ccc(C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
Cc1ccc(C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccc(cc1)[*:1]
Cc1ccc(C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 Cc1ccc(cc1)[*:1] O=C(N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(Cn1nnc2ccccc2c1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cn1nnc2ccccc2c1=O)Nc1cc(cc(c1)[*:1])C(F)(F)F
OC[C@H](Nc1cccc(Br)c1)c1cccc(C2CC2)c1 C1CC1[*:1] OC[C@H](Nc1cccc(Br)c1)c1cccc(c1)[*:1]
CC(C)(C)n1nc(C2CC2)cc1C(=O)N1CCC[C@@H](n2cccn2)C1 CC(C)(C)[*:1] O=C(c1cc(nn1[*:1])C1CC1)N1CCC[C@H](C1)n1cccn1
CC(C)(C)n1nc(C2CC2)cc1C(=O)N1CCC[C@@H](n2cccn2)C1 c1cnn(c1)[*:1] CC(C)(C)n1nc(cc1C(=O)N1CCC[C@@H](C1)[*:1])C1CC1
CC(C)(C)n1nc(C2CC2)cc1C(=O)N1CCC[C@@H](n2cccn2)C1 C1CC1[*:1] CC(C)(C)n1nc(cc1C(=O)N1CCC[C@H](C1)n1cccn1)[*:1]
CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccccc4N4CCCC[C@@H]43)C2=O)cc1 CCOC(=O)[*:1] CC1=NN(C(=O)[C@]12Cc1ccccc1N1CCCC[C@@H]12)c1ccc(cc1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)ccc2C)c1C CC(=O)[*:1] Cc1ccc(C)c(c1)SCC(=O)c1[nH]c(C)c(c1C)[*:1]
COCCn1ccc2ccc(NC(=O)CCNC(N)=O)cc21 NC(=O)NCC[*:1] COCCn1ccc2ccc(cc21)NC(=O)[*:1]
COCCn1ccc2ccc(NC(=O)CCNC(N)=O)cc21 NC(=O)NC[*:1] COCCn1ccc2ccc(cc21)NC(=O)C[*:1]
COCCn1ccc2ccc(NC(=O)CCNC(N)=O)cc21 COC[*:1] NC(=O)NCCC(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)CCNC(N)=O)cc21 NC(=O)N[*:1] COCCn1ccc2ccc(cc21)NC(=O)CC[*:1]
COCCn1ccc2ccc(NC(=O)CCNC(N)=O)cc21 COCC[*:1] NC(=O)NCCC(=O)Nc1ccc2ccn(c2c1)[*:1]
Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)ccc1Cl Cc1cc(ccc1Cl)O[*:1] O=C(C[*:1])N(Cc1ccc(F)cc1)Cc1ccco1
Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C(CO[*:1])N(Cc1ccc(F)cc1)Cc1ccco1
Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)ccc1Cl c1coc(c1)C[*:1] Cc1cc(ccc1Cl)OCC(=O)N(Cc1ccc(F)cc1)[*:1]
Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)ccc1Cl Fc1ccc(cc1)[*:1] Cc1cc(ccc1Cl)OCC(=O)N(Cc1ccco1)C[*:1]
Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)ccc1Cl c1coc(c1)[*:1] Cc1cc(ccc1Cl)OCC(=O)N(Cc1ccc(F)cc1)C[*:1]
Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)ccc1Cl Fc1ccc(cc1)C[*:1] Cc1cc(ccc1Cl)OCC(=O)N(Cc1ccco1)[*:1]
CC(C)[C@H]([NH2+]CCCC(=O)N(C)C)c1cccnc1 CN(C)C(=O)C[*:1] CC(C)[C@H]([NH2+]CC[*:1])c1cccnc1
CC(C)[C@H]([NH2+]CCCC(=O)N(C)C)c1cccnc1 CC(C)[*:1] CN(C)C(=O)CCC[NH2+][C@H](c1cccnc1)[*:1]
CC(C)[C@H]([NH2+]CCCC(=O)N(C)C)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H]([NH2+]CCCC(=O)N(C)C)[*:1]
CC(C)[C@H]([NH2+]CCCC(=O)N(C)C)c1cccnc1 CN(C)C(=O)[*:1] CC(C)[C@H]([NH2+]CCC[*:1])c1cccnc1
CN(Cc1cc(Br)ccc1F)C(=O)C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CN(Cc1cc(Br)ccc1F)C(=O)C[C@@H](O)[*:1]
CCN(Cc1ccccn1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 c1cc(ccn1)O[*:1] CCN(Cc1ccccn1)C(=O)c1ccc(c(Cl)c1)[*:1]
CCN(Cc1ccccn1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 c1ccc(C[*:1])nc1 CCN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)[*:1]
CCN(Cc1ccccn1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 c1cc(ccn1)[*:1] CCN(Cc1ccccn1)C(=O)c1ccc(O[*:1])c(Cl)c1
CCN(Cc1ccccn1)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1ccc(Oc2ccncc2)c(Cl)c1
O=C(NC[C@H](O)C1CCCCC1)Nc1ccc(Cl)c(Cl)c1 C1CCC(CC1)[*:1] O=C(NC[C@H](O)[*:1])Nc1ccc(Cl)c(Cl)c1
CC[C@H](NC(=O)CNC(=O)c1ccoc1C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)CNC(=O)c1ccoc1C)[*:1]
CC[C@H](NC(=O)CNC(=O)c1ccoc1C)c1ccc(C)cc1 Cc1occc1[*:1] CC[C@H](NC(=O)CNC(=O)[*:1])c1ccc(C)cc1
COc1ccc(NC(=O)c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCOCC3)cc2)cc1 FC(F)(F)c1cccc(c1)[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)C1(CCOCC1)[*:1]
COc1ccc(NC(=O)c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCOCC3)cc2)cc1 COc1ccc(cc1)NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1(CCOCC1)c1cccc(c1)C(F)(F)F
COc1ccc(NC(=O)c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCOCC3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)C1(CCOCC1)c1cccc(c1)C(F)(F)F
COc1ccc(NC(=O)c2ccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCOCC3)cc2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)C1(CCOCC1)c1cccc(c1)[*:1]
CCOC(=O)N[C@H](C)C(=O)[O-] O=C([O-])[*:1] CCOC(=O)N[C@H](C)[*:1]
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Nc1ccc(I)cc1 c1cncc(c1)[*:1] O=[N+]([O-])c1c(ncnc1Nc1ccc(I)cc1)NC[*:1]
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Nc1ccc(I)cc1 c1cncc(c1)CN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccc(I)cc1
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Nc1ccc(I)cc1 Ic1ccc(cc1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NCc1cccnc1
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NCc1cccnc1
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Nc1ccc(I)cc1 c1cncc(c1)C[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1ccc(I)cc1
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1Nc1ccc(I)cc1 O=[N+]([O-])[*:1] Ic1ccc(cc1)Nc1ncnc(NCc2cccnc2)c1[*:1]
CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccccc3)CC2)cc1 CC(=O)NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)c1ccccc1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)NS(=O)(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)[*:1]
O=C(NC1Cc2ccccc2C1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 c1ccc2CC(Cc2c1)[*:1] O=C(N[*:1])C1CCC(CC1)CNS(=O)(=O)c1ccccc1
O=C(NC1Cc2ccccc2C1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(NC1Cc2ccccc2C1)C1CCC(CC1)CNS(=O)(=O)[*:1]
C[C@H](OCC1CC1)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 C1CC1[*:1] C[C@H](OC[*:1])C(=O)N1CCCN(CC1)C(=O)CCc1ccccc1
C[C@H](OCC1CC1)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](OCC1CC1)C(=O)N1CCCN(CC1)C(=O)CC[*:1]
C[C@H](OCC1CC1)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](OCC1CC1)C(=O)N1CCCN(CC1)C(=O)C[*:1]
C[C@H](OCC1CC1)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 C1CC1CO[*:1] C[C@H](C(=O)N1CCCN(CC1)C(=O)CCc1ccccc1)[*:1]
C[C@H](OCC1CC1)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 C1CC1C[*:1] C[C@H](O[*:1])C(=O)N1CCCN(CC1)C(=O)CCc1ccccc1
C[C@H](OCC1CC1)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] C[C@H](OCC1CC1)C(=O)N1CCCN(CC1)C(=O)[*:1]
COc1ccccc1COC(=O)c1nc(-c2ccco2)sc1C c1coc(c1)[*:1] COc1ccccc1COC(=O)c1nc(sc1C)[*:1]
Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)ccc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nn1c(ccc1[*:1])SCC(=O)Nc1ccc2OCOc2c1
Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)ccc1-c1ccc(Cl)cc1 c1cc2OCOc2cc1[*:1] Nn1c(ccc1-c1ccc(Cl)cc1)SCC(=O)N[*:1]
Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1 Cn1cc(cn1)[*:1] O=C([C@H]1C[C@H]1[*:1])N1CCN(CC1)c1ccc(F)cc1
Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1 Fc1ccc(cc1)[*:1] Cn1cc(cn1)[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)[*:1]
Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)C3(C#N)CC3)cc(Cl)cc12 c1ccc(cc1)[*:1] Cc1c([nH]c2c(cc(Cl)cc12)CNC(=O)C1(C#N)CC1)[*:1]
Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)C3(C#N)CC3)cc(Cl)cc12 N#CC1(CC1)C(=O)N[*:1] Cc1c([nH]c2c(cc(Cl)cc12)C[*:1])-c1ccccc1
Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)C3(C#N)CC3)cc(Cl)cc12 N#CC1(CC1)[*:1] Cc1c([nH]c2c(cc(Cl)cc12)CNC(=O)[*:1])-c1ccccc1
O=C1[C@@H]2CCCCN2C(=O)CCN1CCC(F)(F)F FC(F)(F)[*:1] O=C1[C@@H]2CCCCN2C(=O)CCN1CC[*:1]
O=C1[C@@H]2CCCCN2C(=O)CCN1CCC(F)(F)F FC(F)(F)C[*:1] O=C1[C@@H]2CCCCN2C(=O)CCN1C[*:1]
O=C1[C@@H]2CCCCN2C(=O)CCN1CCC(F)(F)F FC(F)(F)CC[*:1] O=C1CCN(C(=O)[C@@H]2CCCCN12)[*:1]
CC(=O)[C@@H](C)S[C@H](C)C(=O)Nc1cc(C)cc(C)c1 CC(=O)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H](C)S[C@H](C)[*:1]
CC(=O)[C@@H](C)S[C@H](C)C(=O)Nc1cc(C)cc(C)c1 CC(=O)[C@@H](C)S[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H](C)[*:1]
CC(=O)[C@@H](C)S[C@H](C)C(=O)Nc1cc(C)cc(C)c1 CC(=O)[C@@H](C)[*:1] Cc1cc(C)cc(c1)NC(=O)[C@@H](C)S[*:1]
Cc1ccccc1C(=O)NCCC(=O)NC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1C(=O)NCCC(=O)NC(c1ccccc1)[*:1]
Cc1ccccc1C(=O)NCCC(=O)NC(c1ccccc1)c1ccccc1 Cc1ccccc1[*:1] O=C(CCNC(=O)[*:1])NC(c1ccccc1)c1ccccc1
NC(=O)[C@H]1c2ccccc2CCN1CC(=O)Nc1nncs1 NC(=O)[*:1] O=C(CN1CCc2ccccc2[C@@H]1[*:1])Nc1nncs1
NC(=O)[C@H]1c2ccccc2CCN1CC(=O)Nc1nncs1 c1nnc(s1)[*:1] NC(=O)[C@H]1c2ccccc2CCN1CC(=O)N[*:1]
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2cc(F)ccc2C1 O=[N+]([O-])[*:1] Cn1ncc(c1C(=O)N1CCc2cc(F)ccc2C1)[*:1]
C[C@H](NC(=O)N1CCN(c2ccc(F)cn2)CC1)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](NC(=O)N1CCN(CC1)c1ccc(F)cn1)[*:1]
C[C@H](NC(=O)N1CCN(c2ccc(F)cn2)CC1)c1ccccc1Cl Fc1ccc(nc1)[*:1] C[C@H](NC(=O)N1CCN(CC1)[*:1])c1ccccc1Cl
COc1ccc(S(=O)(=O)NCc2nc3nc(C)cc(C)n3n2)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)n2nc(CNS(=O)(=O)[*:1])nc2n1
COc1cc(C=O)ccc1OCc1ccc(SC(F)F)cc1 FC(F)[*:1] COc1cc(C=O)ccc1OCc1ccc(cc1)S[*:1]
COc1cc(C=O)ccc1OCc1ccc(SC(F)F)cc1 FC(F)S[*:1] COc1cc(C=O)ccc1OCc1ccc(cc1)[*:1]
Cc1ccc(CCC(=O)Nc2ccccc2-n2cnnn2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CC[*:1])Nc1ccccc1-n1cnnn1
Cc1ccc(CCC(=O)Nc2ccccc2-n2cnnn2)c(C)c1 c1nnnn1[*:1] Cc1ccc(CCC(=O)Nc2ccccc2[*:1])c(C)c1
CCc1nn(C)cc1NC(=O)[C@H](NC(=O)c1ccccc1)C(C)C CCc1nn(C)cc1[*:1] CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)[C@H](NC(=O)c1ccccc1)C(C)C CC(C)[*:1] CCc1nn(C)cc1NC(=O)[C@H](NC(=O)c1ccccc1)[*:1]
CCc1nn(C)cc1NC(=O)[C@H](NC(=O)c1ccccc1)C(C)C c1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)[C@H](NC(=O)[*:1])C(C)C
Cc1ccc(C)c(N2CCN(S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)CC2)c1 Cc1ccc(C)c(c1)[*:1] CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)[*:1])C(=O)C2
Cc1csc(C(=O)NNC(=O)Cc2ccccc2)c1 Cc1csc(c1)[*:1] O=C(Cc1ccccc1)NNC(=O)[*:1]
Cc1csc(C(=O)NNC(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1csc(c1)C(=O)NNC(=O)C[*:1]
CCNc1ccc([N+](=O)[O-])c(-c2ccc(OCC)cc2)n1 CCN[*:1] CCOc1ccc(cc1)-c1nc(ccc1[N+](=O)[O-])[*:1]
CCNc1ccc([N+](=O)[O-])c(-c2ccc(OCC)cc2)n1 O=[N+]([O-])[*:1] CCNc1ccc(c(n1)-c1ccc(cc1)OCC)[*:1]
CCNc1ccc([N+](=O)[O-])c(-c2ccc(OCC)cc2)n1 CCO[*:1] CCNc1ccc(c(n1)-c1ccc(cc1)[*:1])[N+](=O)[O-]
OCC1(C[NH2+][C@H]2CCc3cc4c(cc32)OCCO4)CC1 OCC1(CC1)C[*:1] c1c2CC[C@H]([NH2+][*:1])c2cc2OCCOc12
OCC1(C[NH2+][C@H]2CCc3cc4c(cc32)OCCO4)CC1 OCC1(CC1)[*:1] c1c2CC[C@H]([NH2+]C[*:1])c2cc2OCCOc12
CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 O=[N+]([O-])c1ccc(s1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2[*:1])c1c(F)cccc1F
CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 Fc1cccc(F)c1[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@@H]2c1ccc(s1)[N+](=O)[O-])[*:1]
CC1(C)CC(=O)C2=C(C1)N(c1c(F)cccc1F)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 O=[N+]([O-])[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@@H]2c1ccc(s1)[*:1])c1c(F)cccc1F
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC(=O)N1 O=[N+]([O-])[*:1] C[C@@H](Sc1ccc(cc1)[*:1])C(=O)NC[C@@H]1CCC(=O)N1
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC(=O)N1 O=C1CC[C@@H](C[*:1])N1 C[C@@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)N[*:1]
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC(=O)N1 O=C1CC[C@H](N1)[*:1] C[C@@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)NC[*:1]
Brc1ccc(-n2ccnc2SCc2nnnn2-c2ccccc2)cc1 c1ccc(cc1)[*:1] Brc1ccc(cc1)-n1ccnc1SCc1nnnn1[*:1]
Brc1ccc(-n2ccnc2SCc2nnnn2-c2ccccc2)cc1 Brc1ccc(cc1)[*:1] c1ccc(cc1)-n1nnnc1CSc1nccn1[*:1]
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cnn(C)c1 Clc1ccc(cc1)[*:1] Cc1nn(cc1C(=O)Nc1cnn(C)c1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1nn(cc1C(=O)N[*:1])-c1ccc(Cl)cc1
CCCCCCNC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O CCCCC[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NC[*:1])C2=O
CCCCCCNC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O CCCC[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCC[*:1])C2=O
CCCCCCNC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O CCC[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCC[*:1])C2=O
CCCCCCNC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O CCCCCC[*:1] C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N[*:1])C2=O
CCCCOC(=O)[C@H](C)NC(=O)[C@H]1CC=CCC1 CCC[*:1] C[C@H](NC(=O)[C@H]1CC=CCC1)C(=O)OC[*:1]
CCCCOC(=O)[C@H](C)NC(=O)[C@H]1CC=CCC1 CCCC[*:1] C[C@H](NC(=O)[C@H]1CC=CCC1)C(=O)O[*:1]
Cc1cc(NC(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)N[C@@H](C)[C@H](O)[*:1]
Cc1cc(NC(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)no1 Cc1cc(no1)[*:1] C[C@H](NC(=O)N[*:1])[C@H](O)c1ccc(F)cc1
Cc1cc(F)ccc1S(=O)(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 Cc1cc(F)ccc1[*:1] O=C1CCc2cc(cc3CCCN1c32)NS(=O)(=O)[*:1]
C[C@@H](O)[C@@H](C)Oc1ccc(C[NH3+])cc1[N+](=O)[O-] C[C@@H](O)[*:1] C[C@@H](Oc1ccc(cc1[N+](=O)[O-])C[NH3+])[*:1]
C[C@@H](O)[C@@H](C)Oc1ccc(C[NH3+])cc1[N+](=O)[O-] C[C@@H](O)[C@@H](C)[*:1] [NH3+]Cc1ccc(O[*:1])c(c1)[N+](=O)[O-]
C[C@@H](O)[C@@H](C)Oc1ccc(C[NH3+])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H](O)[C@@H](C)Oc1ccc(cc1[*:1])C[NH3+]
NC(=O)CNC(=O)[C@H]1Cc2ccccc2O1 NC(=O)[*:1] O=C(NC[*:1])[C@H]1Cc2ccccc2O1
NC(=O)CNC(=O)[C@H]1Cc2ccccc2O1 NC(=O)C[*:1] O=C(N[*:1])[C@H]1Cc2ccccc2O1
CCNc1nnc(S(=O)(=O)Cc2ncc(C)o2)s1 Cc1cnc(o1)[*:1] CCNc1nnc(s1)S(=O)(=O)C[*:1]
CCNc1nnc(S(=O)(=O)Cc2ncc(C)o2)s1 CCN[*:1] Cc1cnc(CS(=O)(=O)c2nnc(s2)[*:1])o1
O=C(COc1ccccc1)N1CCC[C@@H]1c1nc(C2CC2)no1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC[C@@H]1c1nc(no1)C1CC1
O=C(COc1ccccc1)N1CCC[C@@H]1c1nc(C2CC2)no1 C1CC1[*:1] O=C(COc1ccccc1)N1CCC[C@@H]1c1nc(no1)[*:1]
O=C(COc1ccccc1)N1CCC[C@@H]1c1nc(C2CC2)no1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC[C@@H]1c1nc(no1)C1CC1
C[NH+]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 Brc1ccc(o1)[*:1] C[NH+]1CCN(CC1)C(=O)CNC(=O)[*:1]
Cc1cc(Br)ccc1NC(=O)CNC(=O)C1(c2ccccc2)CC1 Cc1cc(Br)ccc1[*:1] O=C(CNC(=O)C1(CC1)c1ccccc1)N[*:1]
Cc1cc(Br)ccc1NC(=O)CNC(=O)C1(c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)CNC(=O)C1(CC1)[*:1]
COC(=O)CCNc1cccc(C(=O)OC)c1 COC(=O)C[*:1] COC(=O)c1cccc(c1)NC[*:1]
COC(=O)CCNc1cccc(C(=O)OC)c1 COC(=O)[*:1] COC(=O)c1cccc(c1)NCC[*:1]
COC(=O)CCNc1cccc(C(=O)OC)c1 COC(=O)[*:1] COC(=O)CCNc1cccc(c1)[*:1]
CCCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 CCC[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)C(=O)N[*:1]
CC(=O)C1=C(C)C(C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)=N[C@@H]1C c1c[nH]c(n1)[*:1] CC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)N[C@H](C[*:1])c1ccccc1
CC(=O)C1=C(C)C(C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)=N[C@@H]1C c1c[nH]c(C[*:1])n1 CC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)N[C@H](c1ccccc1)[*:1]
CC(=O)C1=C(C)C(C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)=N[C@@H]1C c1ccc(cc1)[*:1] CC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)N[C@H](Cc1ncc[nH]1)[*:1]
CC(=O)C1=C(C)C(C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)=N[C@@H]1C CC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)N[C@H](Cc1ncc[nH]1)c1ccccc1
O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2c(-c3ccccc3)cnc3ncnn23)CC1 c1ccc2cc(ccc2c1)[*:1] O=S(=O)(N1CCN(CC1)c1c(cnc2ncnn12)-c1ccccc1)[*:1]
O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2c(-c3ccccc3)cnc3ncnn23)CC1 c1ccc(cc1)[*:1] O=S(=O)(c1ccc2ccccc2c1)N1CCN(CC1)c1c(cnc2ncnn12)[*:1]
CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 Cc1cc(ccc1Cl)[*:1] CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCO[*:1]
CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 Cc1cc(ccc1Cl)O[*:1] CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC[*:1]
c1ccc2sc(NCc3cc[nH]n3)nc2c1 c1cc(n[nH]1)[*:1] c1ccc2sc(nc2c1)NC[*:1]
COC(=O)[C@@]1(N)CC[C@@H](Oc2cc(OC)cc(OC)c2)C1 COC(=O)[*:1] COc1cc(cc(c1)O[C@@H]1CC[C@](N)(C1)[*:1])OC
COCCCNc1cc(C(C)C)nc2cc(C)nn12 COC[*:1] Cc1cc2nc(cc(NCC[*:1])n2n1)C(C)C
COCCCNc1cc(C(C)C)nc2cc(C)nn12 COCCC[*:1] Cc1cc2nc(cc(N[*:1])n2n1)C(C)C
COCCCNc1cc(C(C)C)nc2cc(C)nn12 COCCCN[*:1] Cc1cc2nc(cc(n2n1)[*:1])C(C)C
COCCCNc1cc(C(C)C)nc2cc(C)nn12 COCC[*:1] Cc1cc2nc(cc(NC[*:1])n2n1)C(C)C
COCCCNc1cc(C(C)C)nc2cc(C)nn12 CC(C)[*:1] COCCCNc1cc(nc2cc(C)nn12)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(=O)[nH]c5ccc(C)cc5c4s3)CC2)cc1 CC(=O)[*:1] Cc1ccc2[nH]c(=O)c3cc(sc3c2c1)C(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(=O)[nH]c5ccc(C)cc5c4s3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1ccc2[nH]c(=O)c3cc(sc3c2c1)C(=O)N1CCN(CC1)[*:1]
Cc1c(-c2ccccc2)oc2c(C(=O)O[C@H](C(N)=O)c3ccccc3)cccc2c1=O c1ccc(cc1)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)O[C@H](C(N)=O)[*:1])-c1ccccc1
Cc1c(-c2ccccc2)oc2c(C(=O)O[C@H](C(N)=O)c3ccccc3)cccc2c1=O c1ccc(cc1)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)O[C@H](C(N)=O)c1ccccc1)[*:1]
Cc1c(-c2ccccc2)oc2c(C(=O)O[C@H](C(N)=O)c3ccccc3)cccc2c1=O NC(=O)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)O[C@H](c1ccccc1)[*:1])-c1ccccc1
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1cccnc1 c1cncc(c1)[*:1] C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)[*:1]
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1cccnc1 c1cnn(c1)[*:1] C[C@H]([NH2+][C@@H]1CCCC[C@H]1[*:1])c1cccnc1
COC[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 COC[*:1] O=[N+]([O-])c1cc(F)ccc1N[C@H](c1ccc(F)c(F)c1)[*:1]
COC[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 O=[N+]([O-])[*:1] COC[C@H](Nc1ccc(F)cc1[*:1])c1ccc(F)c(F)c1
CCOc1ccc(-n2nnc3c(N4CCN(S(C)(=O)=O)CC4)ncnc32)cc1 CCOc1ccc(cc1)[*:1] CS(=O)(=O)N1CCN(CC1)c1ncnc2c1nnn2[*:1]
CCOc1ccc(-n2nnc3c(N4CCN(S(C)(=O)=O)CC4)ncnc32)cc1 CCO[*:1] CS(=O)(=O)N1CCN(CC1)c1ncnc2c1nnn2-c1ccc(cc1)[*:1]
COc1ccccc1-c1nc(S(C)(=O)=O)nn1Cc1ccccn1 CS(=O)(=O)[*:1] COc1ccccc1-c1nc(nn1Cc1ccccn1)[*:1]
COc1ccccc1-c1nc(S(C)(=O)=O)nn1Cc1ccccn1 c1ccc(C[*:1])nc1 COc1ccccc1-c1nc(nn1[*:1])S(C)(=O)=O
COc1ccccc1-c1nc(S(C)(=O)=O)nn1Cc1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1-c1nc(nn1C[*:1])S(C)(=O)=O
COc1ccccc1-c1nc(S(C)(=O)=O)nn1Cc1ccccn1 COc1ccccc1[*:1] CS(=O)(=O)c1nc(n(Cc2ccccn2)n1)[*:1]
CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cc(C(C)C)n[nH]4)C3)cc2N1 CC(C)c1cc([nH]n1)[*:1] CC[C@@H]1C[C@@H](n2nc(cc2N1)[C@H]1CCN(C1)C(=O)[*:1])C(F)(F)F
CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cc(C(C)C)n[nH]4)C3)cc2N1 CC(C)[*:1] CC[C@@H]1C[C@@H](n2nc(cc2N1)[C@H]1CCN(C1)C(=O)c1cc(n[nH]1)[*:1])C(F)(F)F
CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cc(C(C)C)n[nH]4)C3)cc2N1 FC(F)(F)[*:1] CC[C@@H]1C[C@H](n2nc(cc2N1)[C@H]1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C)[*:1]
Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccc(CSc3ncn[nH]3)o2)C1 c1n[nH]c(n1)[*:1] Cc1ccccc1[C@@H]1CCCN(C1)C(=O)c1ccc(CS[*:1])o1
Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccc(CSc3ncn[nH]3)o2)C1 c1n[nH]c(n1)SC[*:1] Cc1ccccc1[C@@H]1CCCN(C1)C(=O)c1ccc(o1)[*:1]
Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccc(CSc3ncn[nH]3)o2)C1 c1n[nH]c(n1)S[*:1] Cc1ccccc1[C@@H]1CCCN(C1)C(=O)c1ccc(C[*:1])o1
Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccc(CSc3ncn[nH]3)o2)C1 Cc1ccccc1[*:1] O=C(c1ccc(CSc2ncn[nH]2)o1)N1CCC[C@H](C1)[*:1]
CCN(CC)C(=O)CCC(=O)Nc1cccc(-n2nc(C)cc2C)c1 CCN(CC)C(=O)[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)CC[*:1]
CCN(CC)C(=O)CCC(=O)Nc1cccc(-n2nc(C)cc2C)c1 Cc1cc(C)n(n1)[*:1] CCN(CC)C(=O)CCC(=O)Nc1cccc(c1)[*:1]
CCN(CC)C(=O)CCC(=O)Nc1cccc(-n2nc(C)cc2C)c1 CCN(CC)C(=O)C[*:1] Cc1cc(C)n(n1)-c1cccc(c1)NC(=O)C[*:1]
CC1(C)C[C@@H]1n1c(=S)[nH]c2cnccc21 CC1(C)C[C@H]1[*:1] S=c1[nH]c2cnccc2n1[*:1]
Cc1cc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)ccc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)/C=C/c1ccc(o1)[C@@H]1C[C@H]1C
Cc1ncoc1C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 Cc1ncoc1[*:1] O=C(N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1)[*:1]
Cc1ncoc1C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 FC(F)(F)[*:1] Cc1ncoc1C(=O)N1CCC[C@@H](CCc2ccccc2[*:1])C1
Nc1cc(C(F)(F)F)n(-c2ccccc2F)n1 FC(F)(F)[*:1] Nc1cc(n(n1)-c1ccccc1F)[*:1]
CCN(CCO)c1ncnc(Nc2ccc(C)cc2C)c1N OCC[*:1] CCN(c1ncnc(Nc2ccc(C)cc2C)c1N)[*:1]
CCN(CCO)c1ncnc(Nc2ccc(C)cc2C)c1N CCN(CCO)[*:1] Cc1ccc(Nc2ncnc(c2N)[*:1])c(C)c1
CCSc1nc(CC(=O)N[C@@H](C(=O)[O-])C2=C(C)N=N[C@@H]2C)cs1 CCS[*:1] CC1N=N[C@H](C)C=1[C@@H](NC(=O)Cc1csc(n1)[*:1])C(=O)[O-]
CCSc1nc(CC(=O)N[C@@H](C(=O)[O-])C2=C(C)N=N[C@@H]2C)cs1 O=C([O-])[*:1] CCSc1nc(cs1)CC(=O)N[C@@H](C1=C(C)N=N[C@@H]1C)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3nc4ccccc4s3)C2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)Nc1nc2ccccc2s1
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3nc4ccccc4s3)C2)nc1 c1ccc2sc(nc2c1)[*:1] Cc1ccc(nc1)NC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CCOC(=O)c1ccc2c(c1)n(CN1CCC(OC)CC1)c(=O)n2CC CCOC(=O)[*:1] CCn1c(=O)n(CN2CCC(CC2)OC)c2cc(ccc21)[*:1]
CCOC(=O)c1ccc2c(c1)n(CN1CCC(OC)CC1)c(=O)n2CC COC1CCN(CC1)[*:1] CCOC(=O)c1ccc2c(c1)n(C[*:1])c(=O)n2CC
CN(C)C[C@H]1C[C@@H](O)CN1[C@@H]1CC[C@H]([NH3+])C1 CN(C)[*:1] [NH3+][C@H]1CC[C@H](C1)N1C[C@H](O)C[C@@H]1C[*:1]
CN(C)C[C@H]1C[C@@H](O)CN1[C@@H]1CC[C@H]([NH3+])C1 CN(C)C[*:1] [NH3+][C@H]1CC[C@H](C1)N1C[C@H](O)C[C@@H]1[*:1]
Cc1cc(C)nc(Nc2cc(C)nc(C3CN(C(=O)c4ccccc4)C3)n2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)Nc1cc(C)nc(n1)C1CN(C1)C(=O)[*:1]
Cc1cc(C)nc(Nc2cc(C)nc(C3CN(C(=O)c4ccccc4)C3)n2)n1 Cc1cc(C)nc(n1)N[*:1] Cc1cc(nc(n1)C1CN(C1)C(=O)c1ccccc1)[*:1]
Cc1cc(C)nc(Nc2cc(C)nc(C3CN(C(=O)c4ccccc4)C3)n2)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(nc(n1)C1CN(C1)C(=O)c1ccccc1)N[*:1]
O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])N[*:1]
O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)[*:1]
O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccccc1[*:1]
COc1cccc(-c2nsc(NC(=O)C3CCN(C(C)=O)CC3)n2)c1 COc1cccc(c1)[*:1] CC(=O)N1CCC(CC1)C(=O)Nc1nc(ns1)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)Cc1ccccc1O)C2 Oc1ccccc1[*:1] CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)C[*:1]
CCOC(=O)N1CCN([C@@H](c2ccc(F)cc2)c2sc3nc(CC)nn3c2O)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)[C@@H](c1sc2nc(CC)nn2c1O)[*:1]
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1F Cc1ccc(cc1)[*:1] CC(=O)C1=C(C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1F)N[*:1]
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1F CC(=O)[*:1] CC(=O)[C@H]1[C@@H](C(=C(C[C@@]1(C)O)Nc1ccc(C)cc1)[*:1])c1ccccc1F
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1F Cc1ccc(cc1)N[*:1] CC(=O)C1=C(C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1F)[*:1]
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1F CC(=O)[*:1] CC(=O)C1=C(C[C@@](C)(O)[C@@H]([C@@H]1c1ccccc1F)[*:1])Nc1ccc(C)cc1
CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CC(=O)C1=C(C[C@@](C)(O)[C@@H](C(C)=O)[C@H]1[*:1])Nc1ccc(C)cc1
Cc1nn(C)c2ncc(C(=O)NC3CCC(C(=O)OC(C)(C)C)CC3)cc12 CC(C)(C)OC(=O)[*:1] Cc1nn(C)c2ncc(cc12)C(=O)NC1CCC(CC1)[*:1]
Cc1nn(C)c2ncc(C(=O)NC3CCC(C(=O)OC(C)(C)C)CC3)cc12 CC(C)(C)[*:1] Cc1nn(C)c2ncc(cc12)C(=O)NC1CCC(CC1)C(=O)O[*:1]
FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 FC(F)(F)[*:1] Brc1cccc(c1)C[NH2+][C@@H]1CCC[C@@H](C1)[*:1]
CN1C(=O)c2ccc(C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cc2C1=O c1c[nH]c(n1)[*:1] CN1C(=O)c2ccc(cc2C1=O)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C[NH+]1CCC(CC1)NC(=O)c1ccsc1
Cc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1[N+](=O)[O-] O=C(N[*:1])c1ccsc1 Cc1ccc(cc1[N+](=O)[O-])C[NH+]1CCC(CC1)[*:1]
Cc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1[N+](=O)[O-] c1cc(cs1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C[NH+]1CCC(CC1)NC(=O)[*:1]
CCc1noc(CN(C)C(=O)N[C@@H](c2ccccc2)c2ccco2)n1 c1coc(c1)[*:1] CCc1noc(CN(C)C(=O)N[C@@H](c2ccccc2)[*:1])n1
CCc1noc(CN(C)C(=O)N[C@@H](c2ccccc2)c2ccco2)n1 CCc1noc(n1)[*:1] CN(C[*:1])C(=O)N[C@@H](c1ccccc1)c1ccco1
CCc1noc(CN(C)C(=O)N[C@@H](c2ccccc2)c2ccco2)n1 CCc1noc(C[*:1])n1 CN(C(=O)N[C@@H](c1ccccc1)c1ccco1)[*:1]
CCc1noc(CN(C)C(=O)N[C@@H](c2ccccc2)c2ccco2)n1 c1ccc(cc1)[*:1] CCc1noc(CN(C)C(=O)N[C@@H](c2ccco2)[*:1])n1
COc1ccc(O/C=C(\O)C(=O)[O-])cc1[C@H]([NH3+])CO O=C([O-])C(O)=C[*:1] COc1ccc(cc1[C@H]([NH3+])CO)O[*:1]
COc1ccc(O/C=C(\O)C(=O)[O-])cc1[C@H]([NH3+])CO O=C([O-])[*:1] COc1ccc(cc1[C@H]([NH3+])CO)O/C=C(\O)[*:1]
COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2cnc(C)s2)cc1 Cc1ncc(s1)[*:1] COc1ccc(cc1)CC[C@H](C)[NH2+][C@H](C)[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1[*:1])S(=O)(=O)N1CCCC[C@@H]1C
CC(C)n1c(SCC(=O)Nc2ccc(Br)cc2)nnc1N(C)C CC(C)[*:1] CN(C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)n1[*:1]
CC(C)n1c(SCC(=O)Nc2ccc(Br)cc2)nnc1N(C)C Brc1ccc(cc1)[*:1] CC(C)n1c(nnc1N(C)C)SCC(=O)N[*:1]
CC(C)n1c(SCC(=O)Nc2ccc(Br)cc2)nnc1N(C)C CN(C)[*:1] CC(C)n1c(nnc1[*:1])SCC(=O)Nc1ccc(Br)cc1
C[C@@H](NC(N)=O)C(=O)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] C[C@@H](NC(N)=O)C(=O)N1CCN(CC1)[*:1]
C[C@@H](NC(N)=O)C(=O)N1CCN(c2ncccc2F)CC1 NC(=O)N[*:1] C[C@@H](C(=O)N1CCN(CC1)c1ncccc1F)[*:1]
C[C@@H](NC(N)=O)C(=O)N1CCN(c2ncccc2F)CC1 C[C@@H](NC(N)=O)[*:1] O=C(N1CCN(CC1)c1ncccc1F)[*:1]
C=CCOc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 C=CC[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(cc1)O[*:1]
C=CCOc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 NC(=O)[*:1] C=CCOc1ccc(cc1)C(=O)N1Cc2ccccc2C[C@@H]1[*:1]
C=CCOc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 C=CCO[*:1] NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(cc1)[*:1]
CC[NH+](CCN1C(=O)c2ccccc2C1=O)CC(=O)NC(C)C CC(C)NC(=O)[*:1] CC[NH+](CCN1C(=O)c2ccccc2C1=O)C[*:1]
CC[NH+](CCN1C(=O)c2ccccc2C1=O)CC(=O)NC(C)C CC(C)NC(=O)C[*:1] CC[NH+](CCN1C(=O)c2ccccc2C1=O)[*:1]
CC[NH+](CCN1C(=O)c2ccccc2C1=O)CC(=O)NC(C)C CC(C)[*:1] CC[NH+](CCN1C(=O)c2ccccc2C1=O)CC(=O)N[*:1]
CCCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c2ccccc2c1=O CCCC[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1nn(c(=O)c3ccccc13)[*:1])c2C(N)=O
CCCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c2ccccc2c1=O CCC[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1nn(C[*:1])c(=O)c3ccccc13)c2C(N)=O
CCCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c2ccccc2c1=O NC(=O)[*:1] CCCCn1nc(C(=O)Nc2sc3C[C@@H](C)CCc3c2[*:1])c2ccccc2c1=O
CCCC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCC2)c1 CCC[*:1] O=C(C[NH+]1CCCCC1)Nc1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCC2)c1 CCCC(=O)N[*:1] O=C(C[NH+]1CCCCC1)Nc1cccc(c1)[*:1]
CC(C)([NH3+])c1cn(-c2ccccc2)nn1 CC(C)([NH3+])[*:1] c1ccc(cc1)-n1cc(nn1)[*:1]
CCc1ccc(CCNC(=O)c2cnc3sc(C)cn3c2=O)cc1 CCc1ccc(cc1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NCC[*:1]
COC(=O)c1cc(-c2cccs2)nc2c1c(=O)[nH]c(=S)n2-c1ccccc1OC COC(=O)[*:1] COc1ccccc1-n1c(=S)[nH]c(=O)c2c(cc(nc21)-c1cccs1)[*:1]
COC(=O)c1cc(-c2cccs2)nc2c1c(=O)[nH]c(=S)n2-c1ccccc1OC COc1ccccc1[*:1] COC(=O)c1cc(nc2c1c(=O)[nH]c(=S)n2[*:1])-c1cccs1
COC(=O)c1cc(-c2cccs2)nc2c1c(=O)[nH]c(=S)n2-c1ccccc1OC c1csc(c1)[*:1] COC(=O)c1cc(nc2c1c(=O)[nH]c(=S)n2-c1ccccc1OC)[*:1]
O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 c1nc2cc(ccc2[nH]1)[*:1] O=C(Nc1ccc(Cl)cn1)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 Clc1ccc(nc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc2[nH]cnc2c1
O=C(c1ccncc1)[C@H]1CCOC2(CCCCC2)C1 c1cc(ccn1)[*:1] O=C([C@H]1CCOC2(CCCCC2)C1)[*:1]
CN(C(=O)c1ccc(-c2cnco2)cc1)c1cccc2ncccc12 c1ncc(o1)[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1cccc2ncccc12
Cc1cc(F)cc(N[C@@](C)(C(=O)[O-])c2ccc(O)cc2)c1 Oc1ccc(cc1)[*:1] Cc1cc(F)cc(c1)N[C@@](C)(C(=O)[O-])[*:1]
Cc1cc(F)cc(N[C@@](C)(C(=O)[O-])c2ccc(O)cc2)c1 O=C([O-])[*:1] Cc1cc(F)cc(c1)N[C@@](C)(c1ccc(O)cc1)[*:1]
CCC(C)(C)n1c(=S)[nH]c2ccc(C)cc21 CCC(C)(C)[*:1] Cc1ccc2[nH]c(=S)n(c2c1)[*:1]
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(cc1)C(=O)NC[*:1]
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] CS(=O)(=O)N(c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1)[*:1]
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)C[*:1] CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(cc1)C(=O)N[*:1]
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CS(=O)(=O)N(C[*:1])c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1
O=C(OCc1nncn1C1CC1)c1ccc(Br)c(F)c1 C1CC1[*:1] O=C(OCc1nncn1[*:1])c1ccc(Br)c(F)c1
Cc1nn(CCC(=O)N2N=CC[C@@]2(O)C(F)(F)F)c(C)c1[N+](=O)[O-] FC(F)(F)[*:1] Cc1nn(CCC(=O)N2N=CC[C@]2(O)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CCC(=O)N2N=CC[C@@]2(O)C(F)(F)F)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CCC(=O)N2N=CC[C@@]2(O)C(F)(F)F)c(C)c1[*:1]
Cc1nc(CC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2C(=O)[O-])cs1 Cc1nc(cs1)C[*:1] O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)[*:1]
Cc1nc(CC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2C(=O)[O-])cs1 O=C([O-])[*:1] Cc1nc(cs1)CC(=O)N1Cc2[nH+]c[nH]c2C[C@@H]1[*:1]
Cc1nc(CC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2C(=O)[O-])cs1 Cc1nc(cs1)[*:1] O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)C[*:1]
COc1cc(OC)nc(Oc2ccccc2C(=O)NCC(=O)[O-])n1 O=C([O-])[*:1] COc1cc(nc(n1)Oc1ccccc1C(=O)NC[*:1])OC
COc1cc(OC)nc(Oc2ccccc2C(=O)NCC(=O)[O-])n1 O=C([O-])CNC(=O)[*:1] COc1cc(nc(n1)Oc1ccccc1[*:1])OC
COc1cc(OC)nc(Oc2ccccc2C(=O)NCC(=O)[O-])n1 O=C([O-])C[*:1] COc1cc(nc(n1)Oc1ccccc1C(=O)N[*:1])OC
N#CCCN(CCC#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 N#CCC[*:1] N#CCCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)[*:1]
N#CCCN(CCC#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#CCCN(CCC#N)C(=O)[C@@H]1C[C@H]1[*:1]
N#CCCN(CCC#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 N#CC[*:1] N#CCCN(C[*:1])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1
O=C1C[C@@H](C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c2ccccc2N1 Fc1cccc(Cl)c1[*:1] O=C1C[C@@H](C(=O)NC[C@H]([NH+]2CCCC2)[*:1])c2ccccc2N1
C[C@@H](NC(N)=O)C(=O)Nc1ccccc1OCc1cscn1 c1nc(cs1)C[*:1] C[C@@H](NC(N)=O)C(=O)Nc1ccccc1O[*:1]
C[C@@H](NC(N)=O)C(=O)Nc1ccccc1OCc1cscn1 c1nc(cs1)[*:1] C[C@@H](NC(N)=O)C(=O)Nc1ccccc1OC[*:1]
C[C@@H](NC(N)=O)C(=O)Nc1ccccc1OCc1cscn1 C[C@@H](NC(N)=O)[*:1] O=C(Nc1ccccc1OCc1cscn1)[*:1]
C[C@@H](NC(N)=O)C(=O)Nc1ccccc1OCc1cscn1 c1nc(cs1)CO[*:1] C[C@@H](NC(N)=O)C(=O)Nc1ccccc1[*:1]
C[C@@H](NC(N)=O)C(=O)Nc1ccccc1OCc1cscn1 NC(=O)N[*:1] C[C@@H](C(=O)Nc1ccccc1OCc1cscn1)[*:1]
C[C@H]1C[C@@H]1c1ccc(CN(C)[C@H](C(N)=O)c2cccc(F)c2)o1 NC(=O)[*:1] C[C@H]1C[C@@H]1c1ccc(CN(C)[C@H](c2cccc(F)c2)[*:1])o1
C[C@H]1C[C@@H]1c1ccc(CN(C)[C@H](C(N)=O)c2cccc(F)c2)o1 Fc1cccc(c1)[*:1] C[C@H]1C[C@@H]1c1ccc(CN(C)[C@H](C(N)=O)[*:1])o1
C[C@H]1C[C@@H]1c1ccc(CN(C)[C@H](C(N)=O)c2cccc(F)c2)o1 C[C@H]1C[C@H]1[*:1] CN(Cc1ccc(o1)[*:1])[C@H](C(N)=O)c1cccc(F)c1
COC(=O)/C=C1/S/C(=N\c2ccc(F)cc2)N(Cc2ccc(OC)c(OC)c2)C1=O COC(=O)[*:1] COc1ccc(cc1OC)CN1C(=O)C(=C[*:1])S/C1=N\c1ccc(F)cc1
COC(=O)/C=C1/S/C(=N\c2ccc(F)cc2)N(Cc2ccc(OC)c(OC)c2)C1=O Fc1ccc(cc1)[*:1] COC(=O)/C=C1/SC(=N[*:1])N(Cc2ccc(OC)c(c2)OC)C1=O
COC(=O)/C=C1/S/C(=N\c2ccc(F)cc2)N(Cc2ccc(OC)c(OC)c2)C1=O COc1ccc(cc1OC)[*:1] COC(=O)/C=C1/S/C(=N\c2ccc(F)cc2)N(C[*:1])C1=O
O=C(CN1C(=O)CNC1=O)N[C@H](c1ccc(F)cc1)c1cccs1 Fc1ccc(cc1)[*:1] O=C(CN1C(=O)CNC1=O)N[C@H](c1cccs1)[*:1]
O=C(CN1C(=O)CNC1=O)N[C@H](c1ccc(F)cc1)c1cccs1 O=C1CNC(=O)N1[*:1] O=C(C[*:1])N[C@H](c1ccc(F)cc1)c1cccs1
O=C(CN1C(=O)CNC1=O)N[C@H](c1ccc(F)cc1)c1cccs1 c1csc(c1)[*:1] O=C(CN1C(=O)CNC1=O)N[C@H](c1ccc(F)cc1)[*:1]
O=C(CN1C(=O)CNC1=O)N[C@H](c1ccc(F)cc1)c1cccs1 O=C1CNC(=O)N1C[*:1] O=C(N[C@H](c1ccc(F)cc1)c1cccs1)[*:1]
COc1ccc2[nH]cc(C(=O)NCCCOc3cccc(Cl)c3)c2n1 Clc1cccc(c1)O[*:1] COc1ccc2[nH]cc(C(=O)NCCC[*:1])c2n1
COc1ccc2[nH]cc(C(=O)NCCCOc3cccc(Cl)c3)c2n1 Clc1cccc(c1)[*:1] COc1ccc2[nH]cc(C(=O)NCCCO[*:1])c2n1
C[C@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)[*:1]
C[C@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@](O)(C#C[C@](O)(C(F)(F)F)[*:1])c1ccc(F)cc1
C[C@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] C[C@](O)(C#C[C@](O)(c1ccccc1)[*:1])c1ccc(F)cc1
Cc1cnc(C(C)(C)NC(=O)NCc2ccc(Cn3ccnc3)cc2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)NCc1ccc(cc1)Cn1ccnc1)[*:1]
Cc1cnc(C(C)(C)NC(=O)NCc2ccc(Cn3ccnc3)cc2)s1 c1cn(cn1)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NCc1ccc(cc1)C[*:1]
Cc1cnc(C(C)(C)NC(=O)NCc2ccc(Cn3ccnc3)cc2)s1 c1cn(cn1)C[*:1] Cc1cnc(s1)C(C)(C)NC(=O)NCc1ccc(cc1)[*:1]
Cc1ccccc1CNC(=O)CSCc1cccc(C(=O)N(C)C)c1 Cc1ccccc1C[*:1] CN(C)C(=O)c1cccc(c1)CSCC(=O)N[*:1]
Cc1ccccc1CNC(=O)CSCc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccccc1CNC(=O)CSCc1cccc(c1)[*:1]
Cc1ccccc1CNC(=O)CSCc1cccc(C(=O)N(C)C)c1 Cc1ccccc1[*:1] CN(C)C(=O)c1cccc(c1)CSCC(=O)NC[*:1]
CS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccncc3)C2)cc1 c1cc(ccn1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccncc3)C2)cc1 O=C([O-])[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@@H]([C@@H](C1)c1ccncc1)[*:1]
CS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccncc3)C2)cc1 CS(=O)(=O)[*:1] O=C([O-])[C@@H]1CN(C[C@H]1c1ccncc1)C(=O)c1ccc(cc1)[*:1]
CCC(CC)(NC(=O)NCCc1nccs1)C(=O)[O-] c1csc(C[*:1])n1 CCC(CC)(NC(=O)NC[*:1])C(=O)[O-]
CCC(CC)(NC(=O)NCCc1nccs1)C(=O)[O-] c1csc(n1)[*:1] CCC(CC)(NC(=O)NCC[*:1])C(=O)[O-]
CCC(CC)(NC(=O)NCCc1nccs1)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)NCCc1nccs1)[*:1]
Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)[nH]1 FC(F)(F)[*:1] Cc1cc(C)c([nH]1)C(=O)N[C@H]1CCCN(C1)c1ccc(cn1)[*:1]
Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)[nH]1 Cc1cc(C)c([nH]1)[*:1] O=C(N[C@H]1CCCN(C1)c1ccc(cn1)C(F)(F)F)[*:1]
Cc1ccnc(-[n+]2c(SCc3ccc(Br)cc3F)[nH]c3ccccc3c2=O)c1 Cc1ccnc(c1)[*:1] O=c1c2ccccc2[nH]c(SCc2ccc(Br)cc2F)[n+]1[*:1]
Cc1ccnc(-[n+]2c(SCc3ccc(Br)cc3F)[nH]c3ccccc3c2=O)c1 Fc1cc(Br)ccc1C[*:1] Cc1ccnc(c1)-[n+]1c([nH]c2ccccc2c1=O)S[*:1]
Cc1ccnc(-[n+]2c(SCc3ccc(Br)cc3F)[nH]c3ccccc3c2=O)c1 Fc1cc(Br)ccc1[*:1] Cc1ccnc(c1)-[n+]1c([nH]c2ccccc2c1=O)SC[*:1]
O=C1CC[C@H](C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)N1 Fc1ccccc1[*:1] O=C1CC[C@@H](N1)C(=O)N1CCN(CC1)C(=O)C[*:1]
O=C1CC[C@H](C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)N1 Fc1ccccc1C[*:1] O=C1CC[C@@H](N1)C(=O)N1CCN(CC1)C(=O)[*:1]
COCCCN(C(=O)c1ccc(Cl)o1)[C@H]1CCS(=O)(=O)C1 Clc1ccc(o1)[*:1] COCCCN(C(=O)[*:1])[C@H]1CCS(=O)(=O)C1
COCCCN(C(=O)c1ccc(Cl)o1)[C@H]1CCS(=O)(=O)C1 COCC[*:1] O=C(c1ccc(Cl)o1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COCCCN(C(=O)c1ccc(Cl)o1)[C@H]1CCS(=O)(=O)C1 COC[*:1] O=C(c1ccc(Cl)o1)N(CC[*:1])[C@H]1CCS(=O)(=O)C1
COCCCN(C(=O)c1ccc(Cl)o1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] COCCCN(C(=O)c1ccc(Cl)o1)[*:1]
COCCCN(C(=O)c1ccc(Cl)o1)[C@H]1CCS(=O)(=O)C1 COCCC[*:1] O=C(c1ccc(Cl)o1)N([C@H]1CCS(=O)(=O)C1)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)NC(N)=O CC(C)C[*:1] C[C@@H](NC(N)=O)C(=O)N[C@H](C[NH+](C)C)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)NC(N)=O NC(=O)N[*:1] CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)NC(N)=O CC(C)[*:1] C[C@@H](NC(N)=O)C(=O)N[C@H](C[NH+](C)C)C[*:1]
CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)NC(N)=O C[C@@H](NC(N)=O)[*:1] CC(C)C[C@@H](C[NH+](C)C)NC(=O)[*:1]
Cc1nc(CN2CCN(c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)cs1 Cc1nc(cs1)[*:1] Cc1nn(c(C)c1N1CCN(CC1)C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1nc(CN2CCN(c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)cs1 Cc1nc(cs1)C[*:1] Cc1nn(c(C)c1N1CCN(CC1)[*:1])[C@H]1CCS(=O)(=O)C1
C[C@@H](CCO)CNC(=O)NCC[C@@H]1CCC[C@H](C)C1 OCC[*:1] C[C@H]1CCC[C@@H](CCNC(=O)NC[C@H](C)[*:1])C1
C[C@@H](CCO)CNC(=O)NCC[C@@H]1CCC[C@H](C)C1 C[C@@H](CCO)C[*:1] C[C@H]1CCC[C@@H](CCNC(=O)N[*:1])C1
C[C@@H](CCO)CNC(=O)NCC[C@@H]1CCC[C@H](C)C1 C[C@@H](CCO)[*:1] C[C@H]1CCC[C@@H](CCNC(=O)NC[*:1])C1
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)NCc1ccccc1 O=S(=O)(O[*:1])c1ccccc1 N#C/C(=C\c1ccc(cc1)[*:1])C(=O)NCc1ccccc1
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] N#C/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccccc1)C(=O)N[*:1]
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1ccc(cc1)OS(=O)(=O)[*:1])C(=O)NCc1ccccc1
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] N#CC(=Cc1ccc(cc1)OS(=O)(=O)c1ccccc1)[*:1]
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccccc1)C(=O)NC[*:1]
N#C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 O=[N+]([O-])[*:1] N#C[C@@H]1CN(CCO1)C(=O)c1cc(ccc1Br)[*:1]
Cc1ccc2nc(C)cc(C(=O)OCCO)c2c1 O=C(OCCO)[*:1] Cc1ccc2nc(C)cc(c2c1)[*:1]
Cc1ccc2nc(C)cc(C(=O)OCCO)c2c1 OCC[*:1] Cc1ccc2nc(C)cc(C(=O)O[*:1])c2c1
CC(C)C/C(=N\O)c1ccc2c(c1)CCCC2 CC(C)[*:1] O/N=C(\C[*:1])c1ccc2CCCCc2c1
CC(C)C/C(=N\O)c1ccc2c(c1)CCCC2 CC(C)C[*:1] O/N=C(/c1ccc2CCCCc2c1)[*:1]
O=C1NC2=C(C(=O)N(CCO)C2)[C@H](c2ccccc2F)N1 Fc1ccccc1[*:1] O=C1NC2CN(CCO)C(=O)C=2[C@H](N1)[*:1]
O=C1NC2=C(C(=O)N(CCO)C2)[C@H](c2ccccc2F)N1 OCC[*:1] O=C1NC2CN(C(=O)C=2[C@@H](N1)c1ccccc1F)[*:1]
C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)[*:1]
C[C@H](CNC(=O)NNc1cccc(F)c1F)c1ccsc1 C[C@H](c1ccsc1)[*:1] O=C(NC[*:1])NNc1cccc(F)c1F
C[C@H](CNC(=O)NNc1cccc(F)c1F)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)NNc1cccc(F)c1F)[*:1]
Cc1ccccc1[C@H](C)[C@H](C)Br C[C@H](Br)[*:1] Cc1ccccc1[C@H](C)[*:1]
O=S1(=O)CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 C1CCC(C1)[*:1] O=S1(=O)CCC[C@@H](C1)[NH2+][C@H](c1ccc(F)cc1)[*:1]
O=S1(=O)CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 Fc1ccc(cc1)[*:1] O=S1(=O)CCC[C@@H](C1)[NH2+][C@H](C1CCCC1)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccno2)C3)cc1C c1cc(on1)[*:1] Cc1ccc(cc1C)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccno2)C3)cc1C Cc1ccc(cc1C)[*:1] O=C(c1ccno1)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccno2)C3)cc1C c1ccn(c1)[*:1] Cc1ccc(cc1C)-n1nc2CN(Cc2c1[*:1])C(=O)c1ccno1
N#CCCN(Cc1ccc(N2CCCC2)[nH+]c1)CC1CC1 C1CC1C[*:1] N#CCCN(Cc1ccc([nH+]c1)N1CCCC1)[*:1]
N#CCCN(Cc1ccc(N2CCCC2)[nH+]c1)CC1CC1 C1CCN(C1)[*:1] N#CCCN(Cc1ccc([nH+]c1)[*:1])CC1CC1
N#CCCN(Cc1ccc(N2CCCC2)[nH+]c1)CC1CC1 N#CC[*:1] c1cc([nH+]cc1CN(CC1CC1)C[*:1])N1CCCC1
N#CCCN(Cc1ccc(N2CCCC2)[nH+]c1)CC1CC1 C1CC1[*:1] N#CCCN(Cc1ccc([nH+]c1)N1CCCC1)C[*:1]
N#CCCN(Cc1ccc(N2CCCC2)[nH+]c1)CC1CC1 N#CCC[*:1] c1cc([nH+]cc1CN(CC1CC1)[*:1])N1CCCC1
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cnccn1 c1cnc(cn1)[*:1] O=C(N/N=C/c1ccc(o1)[N+](=O)[O-])[*:1]
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cnccn1 O=[N+]([O-])[*:1] O=C(N/N=C/c1ccc(o1)[*:1])c1cnccn1
CN(C)c1cc(C(=O)N2CCCN(C(=O)c3ccncc3)CC2)ccn1 CN(C)[*:1] O=C(c1ccncc1)N1CCCN(CC1)C(=O)c1ccnc(c1)[*:1]
CN(C)c1cc(C(=O)N2CCCN(C(=O)c3ccncc3)CC2)ccn1 c1cc(ccn1)[*:1] CN(C)c1cc(ccn1)C(=O)N1CCCN(CC1)C(=O)[*:1]
COc1ccc(C[NH+]2CCC(NC(=O)N(C)C3CCOCC3)CC2)cc1F C1CC(CCO1)[*:1] COc1ccc(cc1F)C[NH+]1CCC(CC1)NC(=O)N(C)[*:1]
COc1ccc(C[NH+]2CCC(NC(=O)N(C)C3CCOCC3)CC2)cc1F COc1ccc(cc1F)[*:1] CN(C(=O)NC1CC[NH+](CC1)C[*:1])C1CCOCC1
Cc1nc(NCCS(=O)(=O)c2ccccn2)cc([C@H]2CCC[NH2+]C2)n1 c1ccc(nc1)[*:1] Cc1nc(cc(n1)[C@H]1CCC[NH2+]C1)NCCS(=O)(=O)[*:1]
OCCCOC1CC[NH+](Cc2cccc3cn[nH]c23)CC1 OCCC[*:1] c1cc(C[NH+]2CCC(CC2)O[*:1])c2[nH]ncc2c1
OCCCOC1CC[NH+](Cc2cccc3cn[nH]c23)CC1 OCCCO[*:1] c1cc(C[NH+]2CCC(CC2)[*:1])c2[nH]ncc2c1
OCCCOC1CC[NH+](Cc2cccc3cn[nH]c23)CC1 OCC[*:1] c1cc(C[NH+]2CCC(CC2)OC[*:1])c2[nH]ncc2c1
CCOC(=O)C1(C)CCN(C(=O)N[C@@H]2C[C@H](OCC)C2(C)C)CC1 CCOC(=O)[*:1] CCO[C@H]1C[C@@H](NC(=O)N2CCC(C)(CC2)[*:1])C1(C)C
CCOC(=O)C1(C)CCN(C(=O)N[C@@H]2C[C@H](OCC)C2(C)C)CC1 CCO[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)N[C@@H]1C[C@H](C1(C)C)[*:1]
COC(=O)C(C)(C)NC(=O)c1ccc(-c2nc3ccccc3s2)o1 COC(=O)C(C)(C)[*:1] O=C(N[*:1])c1ccc(o1)-c1nc2ccccc2s1
COC(=O)C(C)(C)NC(=O)c1ccc(-c2nc3ccccc3s2)o1 COC(=O)[*:1] CC(C)(NC(=O)c1ccc(o1)-c1nc2ccccc2s1)[*:1]
CCc1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)o1 CCc1ccc(o1)[*:1] O=C([O-])c1cccc(c1)-c1noc(n1)[*:1]
CCc1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)o1 O=C([O-])[*:1] CCc1ccc(o1)-c1nc(no1)-c1cccc(c1)[*:1]
CC[C@H]1COCCN1C(=O)NC[C@H](C)Oc1ccccc1Cl Clc1ccccc1[*:1] CC[C@H]1COCCN1C(=O)NC[C@H](C)O[*:1]
C[C@@H]1CN(C)CCN1C(=O)c1cccn1Cc1cccnc1 c1cncc(c1)C[*:1] C[C@@H]1CN(C)CCN1C(=O)c1cccn1[*:1]
C[C@@H]1CN(C)CCN1C(=O)c1cccn1Cc1cccnc1 c1cncc(c1)[*:1] C[C@@H]1CN(C)CCN1C(=O)c1cccn1C[*:1]
O=C(Nc1cn[nH]c1)C(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)[*:1] O=C(Nc1cn[nH]c1)C(=O)Nc1ccc(O[*:1])c(F)c1
O=C(Nc1cn[nH]c1)C(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)O[*:1] O=C(Nc1cn[nH]c1)C(=O)Nc1ccc(c(F)c1)[*:1]
O=C(Nc1cn[nH]c1)C(=O)Nc1ccc(OC(F)F)c(F)c1 c1n[nH]cc1[*:1] O=C(Nc1ccc(OC(F)F)c(F)c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(NC(=O)C(=O)N2C[C@H]3CC=CC[C@@H]3C2)c1 CCC[*:1] O=C(Nc1cccc(c1)C(=O)N[*:1])C(=O)N1C[C@H]2CC=CC[C@@H]2C1
CCCNC(=O)c1cccc(NC(=O)C(=O)N2C[C@H]3CC=CC[C@@H]3C2)c1 CCCNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1C[C@H]2CC=CC[C@@H]2C1
CS[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 O=[N+]([O-])[*:1] CS[C@@H]1CC[C@@H](C1)Nc1ccc(cc1F)[*:1]
O=C(c1ccccc1Cl)N1CCO[C@H](COc2ccc(F)cc2F)C1 Clc1ccccc1[*:1] O=C(N1CCO[C@H](COc2ccc(F)cc2F)C1)[*:1]
O=C(c1ccccc1Cl)N1CCO[C@H](COc2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] O=C(c1ccccc1Cl)N1CCO[C@H](CO[*:1])C1
O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 C1CCC(C1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC(CC1)c1nnc2C[NH2+]CCn21
Cc1ccnc(Oc2ccc(-c3ccccc3)nc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccnc(Oc2ccc(nc2)[*:1])c1[N+](=O)[O-]
Cc1ccnc(Oc2ccc(-c3ccccc3)nc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccnc(Oc2ccc(nc2)-c2ccccc2)c1[*:1]
Cc1nc([C@H]2CC(=O)N(c3cccc(O)c3)C2)n(-c2ccccc2C)n1 Cc1ccccc1[*:1] Cc1nc([C@H]2CC(=O)N(C2)c2cccc(O)c2)n(n1)[*:1]
Cc1nc([C@H]2CC(=O)N(c3cccc(O)c3)C2)n(-c2ccccc2C)n1 Oc1cccc(c1)[*:1] Cc1nc([C@H]2CC(=O)N(C2)[*:1])n(n1)-c1ccccc1C
O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 c1cncc(c1)[*:1] O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1cccc(Cl)c1O[*:1]
O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 c1cncc(c1)O[*:1] O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1cccc(Cl)c1[*:1]
Cc1cc(C)cc(-c2nnc(SCC(=O)NC(=O)CN3CCCC3=O)o2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])NC(=O)CN1CCCC1=O
Cc1cc(C)cc(-c2nnc(SCC(=O)NC(=O)CN3CCCC3=O)o2)c1 O=C1CCCN1[*:1] Cc1cc(C)cc(c1)-c1nnc(o1)SCC(=O)NC(=O)C[*:1]
Cc1cc(C)cc(-c2nnc(SCC(=O)NC(=O)CN3CCCC3=O)o2)c1 O=C1CCCN1C[*:1] Cc1cc(C)cc(c1)-c1nnc(o1)SCC(=O)NC(=O)[*:1]
COC(=O)Nc1cccc(NC(=O)N[C@@H]2CCCC2(C)C)c1 COC(=O)N[*:1] CC1(C)CCC[C@H]1NC(=O)Nc1cccc(c1)[*:1]
C[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC(C)(C)C1 CS(=O)(=O)[*:1] C[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCC[C@H](C2)[*:1])CC(C)(C)C1
COC(=O)CCCN(C)c1ccc([N+](=O)[O-])c(N)n1 COC(=O)C[*:1] CN(CC[*:1])c1ccc(c(N)n1)[N+](=O)[O-]
COC(=O)CCCN(C)c1ccc([N+](=O)[O-])c(N)n1 COC(=O)[*:1] CN(CCC[*:1])c1ccc(c(N)n1)[N+](=O)[O-]
COC(=O)CCCN(C)c1ccc([N+](=O)[O-])c(N)n1 O=[N+]([O-])[*:1] COC(=O)CCCN(C)c1ccc(c(N)n1)[*:1]
COC(=O)CCCN(C)c1ccc([N+](=O)[O-])c(N)n1 COC(=O)CC[*:1] CN(C[*:1])c1ccc(c(N)n1)[N+](=O)[O-]
C[C@H]1C[C@H](C)CN(C(=O)CCNS(C)(=O)=O)C1 CS(=O)(=O)N[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CC[*:1]
C[C@H]([NH2+]Cc1ccc(Cl)o1)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H]([NH2+]Cc1ccc(Cl)o1)C(=O)N[*:1]
CC[C@H](C)c1ccccc1NC(=O)Cc1ccc2c(c1)OCCO2 CC[C@H](C)[*:1] O=C(Cc1ccc2OCCOc2c1)Nc1ccccc1[*:1]
C[C@H](NC(=O)c1ccccc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)c1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNc1cccc(Cl)c1 c1ccc(cc1)[*:1] Cc1nn(c(Cl)c1C(=O)NNc1cccc(Cl)c1)[*:1]
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NN[*:1]
C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccccn3)c2)[C@H](C)C1 c1ccc(nc1)[*:1] C[C@H]1CCN(C(=O)Nc2cccc(c2)O[*:1])[C@H](C)C1
C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccccn3)c2)[C@H](C)C1 c1ccc(nc1)O[*:1] C[C@H]1CCN(C(=O)Nc2cccc(c2)[*:1])[C@H](C)C1
Clc1ccc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1Cl Clc1ccc(cc1Cl)[*:1] C1CO[C@@H](C1)Cn1c(nnc1N1CCOCC1)SC[*:1]
Clc1ccc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1Cl C1CN(CCO1)[*:1] Clc1ccc(cc1Cl)CSc1nnc(n1C[C@@H]1CCCO1)[*:1]
Clc1ccc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1Cl Clc1ccc(cc1Cl)C[*:1] C1CO[C@@H](C1)Cn1c(nnc1N1CCOCC1)S[*:1]
CC(C)C[C@@H](C(=O)Nc1ccc(OC(C)C)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)O[*:1] CC(C)C[C@@H](C(=O)Nc1ccc(c(Cl)c1)[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CC(C)C[C@@H](C(=O)Nc1ccc(OC(C)C)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)C[*:1] CC(C)Oc1ccc(cc1Cl)NC(=O)[C@@H](N1C(=O)[C@H]2CC=CC[C@H]2C1=O)[*:1]
CC(C)C[C@@H](C(=O)Nc1ccc(OC(C)C)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)[*:1] CC(C)Oc1ccc(cc1Cl)NC(=O)[C@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CC(C)C[C@@H](C(=O)Nc1ccc(OC(C)C)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)[*:1] CC(C)C[C@@H](C(=O)Nc1ccc(O[*:1])c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O
Cc1nc(-c2ccccn2)sc1C(=O)NCc1nnc2n1CCCCC2 c1ccc(nc1)[*:1] Cc1nc(sc1C(=O)NCc1nnc2CCCCCn21)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(Cc2ccccc2C)C1=O c1ccc(cc1)[*:1] CC[C@@]1(NC(=O)N(Cc2ccccc2C)C1=O)[*:1]
CC[C@]1(c2ccccc2)NC(=O)N(Cc2ccccc2C)C1=O Cc1ccccc1[*:1] CC[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccccc1
Cc1nc(C)c(CNC(=O)C2CC[NH+](C(C)C)CC2)s1 CC(C)[*:1] Cc1nc(C)c(CNC(=O)C2CC[NH+](CC2)[*:1])s1
CC(=O)c1ccc(/N=C2\SCCCN2C(=O)/C=C/c2cccs2)cc1 c1csc(c1)[*:1] CC(=O)c1ccc(cc1)/N=C1\SCCCN1C(=O)C=C[*:1]
CC(=O)c1ccc(/N=C2\SCCCN2C(=O)/C=C/c2cccs2)cc1 CC(=O)[*:1] O=C(/C=C/c1cccs1)N1CCCS/C1=N\c1ccc(cc1)[*:1]
CC(=O)c1ccc(/N=C2\SCCCN2C(=O)/C=C/c2cccs2)cc1 C(=C[*:1])c1cccs1 CC(=O)c1ccc(cc1)/N=C1\SCCCN1C(=O)[*:1]
O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccco1 c1coc(c1)[*:1] O=C1c2ccccc2C(=O)N1CCOC(=O)[*:1]
Cc1cccc(S(=O)(=O)N[C@H]2CCc3cc(N)ccc32)c1 Cc1cccc(c1)[*:1] Nc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)[*:1]
O=C1NC2(CCCCCC2)C(=O)N1CN(Cc1nnc(-c2ccccc2Br)o1)C1CC1 C1CC1[*:1] O=C1NC2(CCCCCC2)C(=O)N1CN(Cc1nnc(o1)-c1ccccc1Br)[*:1]
O=C1NC2(CCCCCC2)C(=O)N1CN(Cc1nnc(-c2ccccc2Br)o1)C1CC1 Brc1ccccc1[*:1] O=C1NC2(CCCCCC2)C(=O)N1CN(Cc1nnc(o1)[*:1])C1CC1
CCCC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 NC(=O)[*:1] CCCC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(n(C)c1)[*:1]
CCCC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 CCCC[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N[C@H]1CCC[C@H]1[*:1]
CCCC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 CCC[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N[C@H]1CCC[C@H]1C[*:1]
Cc1cc(-c2cc3nc(C)c(C)c(NCCN4CCCC4=O)n3n2)no1 O=C1CCCN1[*:1] Cc1cc(no1)-c1cc2nc(C)c(C)c(NCC[*:1])n2n1
Cc1cc(-c2cc3nc(C)c(C)c(NCCN4CCCC4=O)n3n2)no1 Cc1cc(no1)[*:1] Cc1nc2cc(nn2c(NCCN2CCCC2=O)c1C)[*:1]
Cc1cc(-c2cc3nc(C)c(C)c(NCCN4CCCC4=O)n3n2)no1 O=C1CCCN1C[*:1] Cc1cc(no1)-c1cc2nc(C)c(C)c(NC[*:1])n2n1
Cc1cc(-c2cc3nc(C)c(C)c(NCCN4CCCC4=O)n3n2)no1 O=C1CCCN1CC[*:1] Cc1cc(no1)-c1cc2nc(C)c(C)c(N[*:1])n2n1
CCN1CCO[C@@H](C(=O)N(C)CC(=O)Nc2ccc(C)cn2)C1 Cc1ccc(nc1)[*:1] CCN1CCO[C@H](C1)C(=O)N(C)CC(=O)N[*:1]
COC(=O)c1cc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc(C(=O)OC)c1 COC(=O)[*:1] COC(=O)c1cc(cc(c1)[*:1])NC(=O)C1CCN(CC1)C(=O)c1ccccc1Cl
COC(=O)c1cc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc(C(=O)OC)c1 Clc1ccccc1[*:1] COC(=O)c1cc(cc(c1)C(=O)OC)NC(=O)C1CCN(CC1)C(=O)[*:1]
O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1O Oc1ccccc1[*:1] O=C(COC(=O)[*:1])C12CC3CC(CC(C3)C1)C2
CC[C@@H](NC(=O)c1ncoc1-c1ccco1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ncoc1-c1ccco1)[*:1]
CC[C@@H](NC(=O)c1ncoc1-c1ccco1)c1ccc(OC)cc1 c1coc(c1)[*:1] CC[C@@H](NC(=O)c1ncoc1[*:1])c1ccc(cc1)OC
CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 CC(=O)N[*:1] N#Cc1cccc(c1)C[NH2+]CCC[*:1]
CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 CC(=O)NC[*:1] N#Cc1cccc(c1)C[NH2+]CC[*:1]
CCc1ccc([C@@H](C)NC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)cc1 COC[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CCc1ccc([C@@H](C)NC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)cc1 CCc1ccc(cc1)[*:1] COCCN(C(=O)N[C@H](C)[*:1])[C@H]1CCS(=O)(=O)C1
CCc1ccc([C@@H](C)NC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)cc1 COCC[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
CCc1ccc([C@@H](C)NC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)cc1 O=S1(=O)CC[C@@H](C1)[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)N(CCOC)[*:1]
CC(C)(C)C(=O)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 CC(C)(C)[*:1] O=C(N1CCC[C@@H](C1)N1CC[NH+](CC1)Cc1ccc2OCOc2c1)[*:1]
CC(C)(C)C(=O)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 c1cc2OCOc2cc1[*:1] CC(C)(C)C(=O)N1CCC[C@@H](C1)N1CC[NH+](CC1)C[*:1]
O=C(NCCO)[C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1 OCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
O=C(NCCO)[C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1 O=C(NCCO)[*:1] O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCC[C@H](C1)[*:1]
O=C(NCCO)[C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1 c1ccc(cc1)[*:1] O=C(NCCO)[C@@H]1CCCN(C1)c1c(c2cc(Cl)ccc2[nH]c1=O)[*:1]
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1Cl CCS(=O)(=O)[*:1] C[C@H](C[*:1])[NH2+][C@H](C)c1ccc(Cl)cc1Cl
CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1Cl CCS(=O)(=O)C[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1ccc(Cl)cc1Cl
C[C@@H](NC(=O)N[C@@H]1CCCC1(C)C)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H](NC(=O)N[C@@H]1CCCC1(C)C)c1ccc(cc1)[*:1]
O=c1[nH]c2ccccc2cc1C[NH2+]CCc1cccs1 c1csc(c1)C[*:1] O=c1[nH]c2ccccc2cc1C[NH2+]C[*:1]
O=c1[nH]c2ccccc2cc1C[NH2+]CCc1cccs1 c1csc(c1)[*:1] O=c1[nH]c2ccccc2cc1C[NH2+]CC[*:1]
CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 CC(C)(C)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)[C@H]1CCC[C@@H](C1)C(F)(F)F
CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 CC(C)(C)NC(=O)[*:1] O=C([C@H]1CCC[C@@H](C1)C(F)(F)F)N1CSC[C@@H]1[*:1]
CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1CCC[C@H](C1)[*:1]
CC#CCN(CCC#N)CCC(F)(F)F FC(F)(F)C[*:1] CC#CCN(CCC#N)C[*:1]
CC#CCN(CCC#N)CCC(F)(F)F N#CCC[*:1] CC#CCN(CCC(F)(F)F)[*:1]
CC#CCN(CCC#N)CCC(F)(F)F N#CC[*:1] CC#CCN(CCC(F)(F)F)C[*:1]
CC#CCN(CCC#N)CCC(F)(F)F FC(F)(F)[*:1] CC#CCN(CCC#N)CC[*:1]
CC#CCN(CCC#N)CCC(F)(F)F CC#C[*:1] N#CCCN(CCC(F)(F)F)C[*:1]
CC#CCN(CCC#N)CCC(F)(F)F CC#CC[*:1] N#CCCN(CCC(F)(F)F)[*:1]
CCC[NH2+][C@H](c1ccc2ccccc2c1)[C@H](C)OC CCC[*:1] CO[C@@H](C)[C@H]([NH2+][*:1])c1ccc2ccccc2c1
O=C(NCCc1ccc(O)cc1)c1cc2ccccc2cc1NC(=O)C1CC1 Oc1ccc(cc1)C[*:1] O=C(NC[*:1])c1cc2ccccc2cc1NC(=O)C1CC1
O=C(NCCc1ccc(O)cc1)c1cc2ccccc2cc1NC(=O)C1CC1 C1CC1[*:1] O=C(NCCc1ccc(O)cc1)c1cc2ccccc2cc1NC(=O)[*:1]
O=C(NCCc1ccc(O)cc1)c1cc2ccccc2cc1NC(=O)C1CC1 Oc1ccc(cc1)[*:1] O=C(NCC[*:1])c1cc2ccccc2cc1NC(=O)C1CC1
O=C(NCCc1ccc(O)cc1)c1cc2ccccc2cc1NC(=O)C1CC1 O=C(N[*:1])C1CC1 O=C(NCCc1ccc(O)cc1)c1cc2ccccc2cc1[*:1]
O=C(NCCc1ccc(O)cc1)c1cc2ccccc2cc1NC(=O)C1CC1 Oc1ccc(cc1)CC[*:1] O=C(N[*:1])c1cc2ccccc2cc1NC(=O)C1CC1
Cc1cccc(C[S@@](=O)CC(=O)N2CCC(c3ccccc3)=N2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C[S@@](=O)CC(=O)N1CCC(=N1)[*:1]
Cc1cccc(C[S@@](=O)CC(=O)N2CCC(c3ccccc3)=N2)c1 Cc1cccc(c1)C[*:1] O=C(C[S@](=O)[*:1])N1CCC(=N1)c1ccccc1
Cc1cccc(C[S@@](=O)CC(=O)N2CCC(c3ccccc3)=N2)c1 Cc1cccc(c1)[*:1] O=C(C[S@](=O)C[*:1])N1CCC(=N1)c1ccccc1
CCc1ccc(C(=O)O[C@@H](C)[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CCc1ccc(cc1)C(=O)O[C@@H](C)[*:1]
Cc1ccccc1NC(=O)[C@H](C)n1nc(C)c2ccccc21 Cc1ccccc1[*:1] Cc1nn(c2ccccc12)[C@@H](C)C(=O)N[*:1]
C[C@@H](O)[C@@H](C)Oc1ccccc1C[NH3+] C[C@@H](O)[*:1] C[C@@H](Oc1ccccc1C[NH3+])[*:1]
Cc1ccc(OCC(=O)O[C@@H](C)CN2CCOCC2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CN1CCOCC1)OC(=O)CO[*:1]
Cc1ccc(OCC(=O)O[C@@H](C)CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)OCC(=O)O[C@@H](C)[*:1]
Cc1ccc(OCC(=O)O[C@@H](C)CN2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)OCC(=O)O[C@@H](C)C[*:1]
C[C@@](O)(CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)OC[C@H]1CCCO1)[*:1]
C[C@@](O)(CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)cc1 C1CO[C@H](C1)CO[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)[*:1])c1ccc(F)cc1
C[C@@](O)(CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)cc1 C1CO[C@H](C1)[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)OC[*:1])c1ccc(F)cc1
C[C@@](O)(CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)cc1 C1CO[C@H](C1)C[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)O[*:1])c1ccc(F)cc1
O=C(Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=c1cc(CSc2nnc(s2)[*:1])nc2ccccn12
O=C(Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1)[*:1]
COC(=O)c1c(NC(=O)CC[C@@H]2CCCO2)sc(C)c1C C1CO[C@@H](C1)C[*:1] COC(=O)c1c(NC(=O)C[*:1])sc(C)c1C
COC(=O)c1c(NC(=O)CC[C@@H]2CCCO2)sc(C)c1C C1CO[C@@H](C1)CC[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C)c1C
COC(=O)c1c(NC(=O)CC[C@@H]2CCCO2)sc(C)c1C C1CO[C@@H](C1)[*:1] COC(=O)c1c(NC(=O)CC[*:1])sc(C)c1C
COC(=O)c1c(NC(=O)CC[C@@H]2CCCO2)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)CC[C@@H]2CCCO2)c(c1C)[*:1]
CC(=O)c1cccc(NC(=O)NCCO)c1 CC(=O)[*:1] O=C(NCCO)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)NCCO)c1 OCC[*:1] CC(=O)c1cccc(c1)NC(=O)N[*:1]
C[C@H](C(=O)NCc1ncn(C)n1)n1cnc2ccccc21 Cn1cnc(C[*:1])n1 C[C@H](C(=O)N[*:1])n1cnc2ccccc21
C[C@H](C(=O)NCc1ncn(C)n1)n1cnc2ccccc21 Cn1cnc(n1)[*:1] C[C@H](C(=O)NC[*:1])n1cnc2ccccc21
COc1ccc(F)cc1NC(=O)NC[C@@H](C)Cn1cccn1 c1cnn(c1)[*:1] COc1ccc(F)cc1NC(=O)NC[C@@H](C)C[*:1]
COc1ccc(F)cc1NC(=O)NC[C@@H](C)Cn1cccn1 c1cnn(c1)C[*:1] COc1ccc(F)cc1NC(=O)NC[C@@H](C)[*:1]
CC(=O)Nc1ccc(NC(=O)Cc2coc3ccc(C)cc23)cc1 CC(=O)N[*:1] Cc1ccc2occ(CC(=O)Nc3ccc(cc3)[*:1])c2c1
C=C[C@@H](CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccccc1 c1ccc(cc1)[*:1] C=C[C@@H](CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
Cc1cc(C)c(CNC[C@@H](O)c2ccco2)c(C)c1 c1coc(c1)[*:1] Cc1cc(C)c(CNC[C@@H](O)[*:1])c(C)c1
CC(=O)Oc1cn(OC(C)=O)c2ccc(Br)c(Cl)c12 CC(=O)O[*:1] CC(=O)On1cc(c2c(Cl)c(Br)ccc21)[*:1]
CCc1cnc(NC(=O)[C@@H](C)CC)s1 CC[C@H](C)[*:1] CCc1cnc(NC(=O)[*:1])s1
Cc1ccc(-c2ncco2)cc1NC(=O)NCc1csc(C(C)(C)C)n1 CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)NCc1csc(n1)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)NCc1csc(C(C)(C)C)n1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)NCc1csc(n1)C(C)(C)C)[*:1]
CC(C)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c1 CC(C)[*:1] C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(c1)[*:1]
CC(C)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] CC(C)c1cccc(c1)NC(=O)[C@H](C)NS(=O)(=O)[*:1]
CCCn1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cn1 CCC[*:1] O=C(CCc1ncc(o1)-c1ccc(F)cc1)Nc1cnn(c1)[*:1]
CCCn1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cn1 Fc1ccc(cc1)[*:1] CCCn1cc(cn1)NC(=O)CCc1ncc(o1)[*:1]
CCCn1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cn1 CCCn1cc(cn1)[*:1] O=C(CCc1ncc(o1)-c1ccc(F)cc1)N[*:1]
FC(F)c1[nH]ncc1CBr FC(F)[*:1] BrCc1cn[nH]c1[*:1]
CNC(=O)c1cccnc1NCc1cc(C#N)ccc1F CNC(=O)[*:1] N#Cc1ccc(F)c(c1)CNc1ncccc1[*:1]
CCC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccco2)CCO1 CCC[*:1] O=C([C@@H]1CCCN1C(=O)c1ccco1)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccco2)CCO1 c1coc(c1)[*:1] CCC[C@@H]1CN(CCO1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
COc1ccccc1-c1cc(C(=O)N2CCCCC[C@H]2c2cc(C(F)(F)F)nn2C)no1 COc1ccccc1[*:1] Cn1nc(cc1[C@@H]1CCCCCN1C(=O)c1cc(on1)[*:1])C(F)(F)F
COc1ccccc1-c1cc(C(=O)N2CCCCC[C@H]2c2cc(C(F)(F)F)nn2C)no1 Cn1nc(cc1[*:1])C(F)(F)F COc1ccccc1-c1cc(no1)C(=O)N1CCCCC[C@@H]1[*:1]
COc1ccccc1-c1cc(C(=O)N2CCCCC[C@H]2c2cc(C(F)(F)F)nn2C)no1 FC(F)(F)[*:1] COc1ccccc1-c1cc(no1)C(=O)N1CCCCC[C@H]1c1cc(nn1C)[*:1]
CC[NH2+]CC/C=C(/C)C=C(C)C CC(C)=C[*:1] CC[NH2+]CCC=C(C)[*:1]
CCOc1ccc([C@H](C)NS(=O)(=O)c2cccs2)cc1 CCO[*:1] C[C@H](NS(=O)(=O)c1cccs1)c1ccc(cc1)[*:1]
CCOc1ccc([C@H](C)NS(=O)(=O)c2cccs2)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)[C@H](C)NS(=O)(=O)[*:1]
COC(=O)c1cc(CNC(=O)N[C@@H](C)c2ccc(C)o2)oc1C COC(=O)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)NCc1cc(c(C)o1)[*:1]
COC(=O)c1cc(CNC(=O)N[C@@H](C)c2ccc(C)o2)oc1C Cc1ccc(o1)[*:1] COC(=O)c1cc(CNC(=O)N[C@@H](C)[*:1])oc1C
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 Cc1ccccc1[*:1] O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CN(C(=O)CCNC(=O)[C@H]1CCCO1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CCNC(=O)[C@H]1CCCO1)[*:1]
CN(C(=O)CCNC(=O)[C@H]1CCCO1)c1ccccc1 C1CO[C@H](C1)[*:1] CN(C(=O)CCNC(=O)[*:1])c1ccccc1
C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)NCc1ccccc1F C1CC1[*:1] C[C@@H](Sc1nnc(N[*:1])s1)C(=O)NCc1ccccc1F
C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)NCc1ccccc1F Fc1ccccc1[*:1] C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)NC[*:1]
C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)NCc1ccccc1F C1CC1N[*:1] C[C@@H](Sc1nnc(s1)[*:1])C(=O)NCc1ccccc1F
CCOC(=O)c1sc2ncc3c(c2c1N)CC[C@H](C)C3 CCOC(=O)[*:1] C[C@H]1CCc2c(cnc3sc(c(N)c23)[*:1])C1
Cc1ccc(-c2nnc(NC(=O)C(=O)N3C[C@H]4[C@@H](C3)C4(C)C)s2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC1(C)[C@H]2CN(C[C@H]21)C(=O)C(=O)Nc1nnc(s1)[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)COC3)C1 CCOC[*:1] O=C(Nc1ccc2COCc2c1)N1CC[C@H](C1)[*:1]
CCOC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)COC3)C1 CCO[*:1] O=C(Nc1ccc2COCc2c1)N1CC[C@H](C1)C[*:1]
CC(C)c1ccc(-c2ccc(N3CCC[C@@H](C(=O)[O-])C3)nn2)cc1 CC(C)[*:1] O=C([O-])[C@@H]1CCCN(C1)c1ccc(nn1)-c1ccc(cc1)[*:1]
CC(C)c1ccc(-c2ccc(N3CCC[C@@H](C(=O)[O-])C3)nn2)cc1 O=C([O-])[*:1] CC(C)c1ccc(cc1)-c1ccc(nn1)N1CCC[C@@H](C1)[*:1]
COc1ccccc1NC(=O)C[C@H]1S/C(=N\N=C(/C)C(C)(C)C)N=C1O CC(C)(C)[*:1] COc1ccccc1NC(=O)C[C@H]1S/C(N=C1O)=N\N=C(C)[*:1]
COc1ccccc1NC(=O)C[C@H]1S/C(=N\N=C(/C)C(C)(C)C)N=C1O COc1ccccc1[*:1] C/C(=N\N=C1\N=C(O)[C@@H](CC(=O)N[*:1])S1)C(C)(C)C
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 O=C1CCCN1[*:1] CCOc1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
COc1cccc(C(=O)Nc2ccccc2-c2ncc[nH]2)c1F c1c[nH]c(n1)[*:1] COc1cccc(C(=O)Nc2ccccc2[*:1])c1F
COc1ccc(CCNC(=O)Nc2ccccc2-n2cccn2)cc1OC c1cnn(c1)[*:1] COc1ccc(cc1OC)CCNC(=O)Nc1ccccc1[*:1]
Cc1ccccc1[C@@H](CC(=O)N1CC[C@@H](Nc2ccccc2)C1)NC(N)=O c1ccc(cc1)[*:1] Cc1ccccc1[C@@H](CC(=O)N1CC[C@H](C1)N[*:1])NC(N)=O
Cc1ccccc1[C@@H](CC(=O)N1CC[C@@H](Nc2ccccc2)C1)NC(N)=O Cc1ccccc1[*:1] NC(=O)N[C@H](CC(=O)N1CC[C@H](C1)Nc1ccccc1)[*:1]
Cc1ccccc1[C@@H](CC(=O)N1CC[C@@H](Nc2ccccc2)C1)NC(N)=O c1ccc(cc1)N[*:1] Cc1ccccc1[C@@H](CC(=O)N1CC[C@@H](C1)[*:1])NC(N)=O
Cc1ccccc1[C@@H](CC(=O)N1CC[C@@H](Nc2ccccc2)C1)NC(N)=O NC(=O)N[*:1] Cc1ccccc1[C@@H](CC(=O)N1CC[C@H](C1)Nc1ccccc1)[*:1]
O=C(Cc1c(F)cccc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 C1CN(CCO1)[*:1] O=C(Cc1c(F)cccc1Cl)Nc1cc(ccc1[*:1])C(F)(F)F
O=C(Cc1c(F)cccc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 Fc1cccc(Cl)c1C[*:1] O=C(Nc1cc(ccc1N1CCOCC1)C(F)(F)F)[*:1]
O=C(Cc1c(F)cccc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 Fc1cccc(Cl)c1[*:1] O=C(C[*:1])Nc1cc(ccc1N1CCOCC1)C(F)(F)F
O=C(Cc1c(F)cccc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 FC(F)(F)[*:1] O=C(Cc1c(F)cccc1Cl)Nc1cc(ccc1N1CCOCC1)[*:1]
Cc1cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)ccc1Br Cc1cc(ccc1Br)[*:1] O=S(=O)([N-]c1ccc2nc([nH]c2c1)[C@H]1CCCO1)[*:1]
Cc1cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)ccc1Br C1CO[C@H](C1)[*:1] Cc1cc(ccc1Br)S(=O)(=O)[N-]c1ccc2nc([nH]c2c1)[*:1]
CCCn1c(SCC(=O)Nc2ccccc2Br)nc2ccsc2c1=O Brc1ccccc1[*:1] CCCn1c(nc2ccsc2c1=O)SCC(=O)N[*:1]
CCCn1c(SCC(=O)Nc2ccccc2Br)nc2ccsc2c1=O CCC[*:1] O=C(CSc1nc2ccsc2c(=O)n1[*:1])Nc1ccccc1Br
COc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)C1 COc1ccccc1[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1cnn(-c2ccccc2)c1-n1cccc1
COc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)C1 c1ccc(cc1)[*:1] COc1ccccc1CNC(=O)[C@H]1CCCN(C1)C(=O)c1cnn(c1-n1cccc1)[*:1]
COc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)C1 c1ccn(c1)[*:1] COc1ccccc1CNC(=O)[C@H]1CCCN(C1)C(=O)c1cnn(-c2ccccc2)c1[*:1]
COc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)C1 COc1ccccc1CNC(=O)[*:1] O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCC[C@@H](C1)[*:1]
COc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)C1 COc1ccccc1C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cnn(-c2ccccc2)c1-n1cccc1
Cn1cnnc1CNC(=O)NNC(=O)c1cccs1 c1csc(c1)[*:1] Cn1cnnc1CNC(=O)NNC(=O)[*:1]
Cn1cnnc1CNC(=O)NNC(=O)c1cccs1 Cn1cnnc1[*:1] O=C(NC[*:1])NNC(=O)c1cccs1
O=C1N[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N2CCOC[C@@H]12 FC(F)(F)[*:1] O=C1N[C@H](c2ccc(o2)-c2ccc(cc2)[*:1])N2CCOC[C@@H]12
CC1=C(C(=O)NCc2nc(-c3ccccc3)cs2)[C@H](C)NC(=O)N1 c1ccc(cc1)[*:1] CC1NC(=O)N[C@@H](C)C=1C(=O)NCc1nc(cs1)[*:1]
C=CCNC(=S)/[NH+]=c1\ccccn1CC C=CC[*:1] CCn1cccc/c1=[NH+]\C(=S)N[*:1]
C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 Clc1ccc(cc1)[*:1] C[C@@H](Sc1nnnn1[*:1])C(=O)Nc1ccc(cc1)S(N)(=O)=O
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1cc[n+]([O-])cc1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])c1cc[n+]([O-])cc1
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1cc[n+]([O-])cc1 [O-][n+]1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CCCCC[C@H](C)NC(=O)N1CCC[C@@H](C)C1 CCC[*:1] C[C@@H](CC[*:1])NC(=O)N1CCC[C@@H](C)C1
CCCCC[C@H](C)NC(=O)N1CCC[C@@H](C)C1 CCCC[*:1] C[C@@H](C[*:1])NC(=O)N1CCC[C@@H](C)C1
CCCCC[C@H](C)NC(=O)N1CCC[C@@H](C)C1 CCCCC[*:1] C[C@H](NC(=O)N1CCC[C@@H](C)C1)[*:1]
Cc1ccc(C)c(CC(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)c1 O=C(Nc1ccncc1)[*:1] Cc1ccc(C)c(c1)CC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(C)c(CC(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)c1 Cc1ccc(C)c(c1)C[*:1] O=C(Nc1ccncc1)c1cccc(c1)NC(=O)[*:1]
Cc1ccc(C)c(CC(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)c1 Cc1ccc(C)c(c1)[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)Nc1ccncc1
Cc1ccc(C)c(CC(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)c1 c1cc(ccn1)[*:1] Cc1ccc(C)c(c1)CC(=O)Nc1cccc(c1)C(=O)N[*:1]
Cc1nc2ccc(C(=O)N3CCN(c4ncccc4F)CC3)cc2nc1C Fc1cccnc1[*:1] Cc1nc2ccc(cc2nc1C)C(=O)N1CCN(CC1)[*:1]
O=C(NCCc1csc(-c2ccccc2)n1)c1c[nH]c(=O)n(Cc2cccs2)c1=O c1ccc(cc1)[*:1] O=C(NCCc1csc(n1)[*:1])c1c[nH]c(=O)n(Cc2cccs2)c1=O
O=C(NCCc1csc(-c2ccccc2)n1)c1c[nH]c(=O)n(Cc2cccs2)c1=O c1csc(c1)[*:1] O=C(NCCc1csc(n1)-c1ccccc1)c1c[nH]c(=O)n(C[*:1])c1=O
O=C(NCCc1csc(-c2ccccc2)n1)c1c[nH]c(=O)n(Cc2cccs2)c1=O c1csc(c1)C[*:1] O=C(NCCc1csc(n1)-c1ccccc1)c1c[nH]c(=O)n(c1=O)[*:1]
C[C@H](Nc1cc(-n2cccn2)nc(N)n1)c1ccc(C(F)(F)F)cc1 c1cnn(c1)[*:1] C[C@H](Nc1cc(nc(N)n1)[*:1])c1ccc(cc1)C(F)(F)F
C[C@H](Nc1cc(-n2cccn2)nc(N)n1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](Nc1cc(nc(N)n1)-n1cccn1)c1ccc(cc1)[*:1]
CC(C)c1ccc([S@](=O)Cc2ncc(-c3cccc(F)c3)o2)cc1 Fc1cccc(c1)[*:1] CC(C)c1ccc(cc1)[S@](=O)Cc1ncc(o1)[*:1]
CC(C)c1ccc([S@](=O)Cc2ncc(-c3cccc(F)c3)o2)cc1 CC(C)[*:1] O=[S@](Cc1ncc(o1)-c1cccc(F)c1)c1ccc(cc1)[*:1]
O=C([O-])[C@H]1C=C[C@@H](NC(=O)[C@@H]2CSCN2)C1 O=C([O-])[*:1] O=C(N[C@@H]1C=C[C@@H](C1)[*:1])[C@@H]1CSCN1
O=C([O-])[C@H]1C=C[C@@H](NC(=O)[C@@H]2CSCN2)C1 C1N[C@@H](CS1)[*:1] O=C([O-])[C@H]1C=C[C@H](C1)NC(=O)[*:1]
O=c1c([N+](=O)[O-])cccn1Cc1ccccc1F O=[N+]([O-])[*:1] O=c1c(cccn1Cc1ccccc1F)[*:1]
CC(C)[NH2+]C[C@H](C)[C@H](C)N1CCCSCC1 CC(C)[*:1] C[C@@H](C[NH2+][*:1])[C@H](C)N1CCCSCC1
Cc1nc(S(=O)(=O)[C@H](C)C(=O)N2CCC(C)CC2)n(CC(C)C)c1C CC(C)[*:1] Cc1nc(n(C[*:1])c1C)S(=O)(=O)[C@H](C)C(=O)N1CCC(C)CC1
Cc1nc(S(=O)(=O)[C@H](C)C(=O)N2CCC(C)CC2)n(CC(C)C)c1C CC(C)C[*:1] Cc1nc(n(c1C)[*:1])S(=O)(=O)[C@H](C)C(=O)N1CCC(C)CC1
NC(=[NH2+])c1cc(Br)ccn1 NC(=[NH2+])[*:1] Brc1ccnc(c1)[*:1]
C[C@@H]1CCN(C(=O)COc2ccc(Oc3ccccn3)cc2)C[C@H]1O c1ccc(nc1)O[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)COc1ccc(cc1)[*:1]
C[C@@H]1CCN(C(=O)COc2ccc(Oc3ccccn3)cc2)C[C@H]1O c1ccc(nc1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)COc1ccc(cc1)O[*:1]
COc1cccc(Oc2ccc(CNc3ccc4nccnc4n3)cn2)c1 COc1cccc(c1)O[*:1] c1cnc2nc(ccc2n1)NCc1ccc(nc1)[*:1]
COc1cccc(Oc2ccc(CNc3ccc4nccnc4n3)cn2)c1 COc1cccc(c1)[*:1] c1cnc2nc(ccc2n1)NCc1ccc(nc1)O[*:1]
CCOC(=O)c1c(C[NH+](C)C2CC2)nc2ccccc2c1C CCOC(=O)[*:1] Cc1c(c(C[NH+](C)C2CC2)nc2ccccc12)[*:1]
Cc1nc(-c2ccccn2)nc(N[C@@H]2CCN(CC(F)(F)F)C2)c1C FC(F)(F)[*:1] Cc1nc(nc(N[C@@H]2CCN(C2)C[*:1])c1C)-c1ccccn1
Cc1nc(-c2ccccn2)nc(N[C@@H]2CCN(CC(F)(F)F)C2)c1C c1ccc(nc1)[*:1] Cc1nc(nc(N[C@@H]2CCN(C2)CC(F)(F)F)c1C)[*:1]
Cc1nc(-c2ccccn2)nc(N[C@@H]2CCN(CC(F)(F)F)C2)c1C FC(F)(F)C[*:1] Cc1nc(nc(N[C@@H]2CCN(C2)[*:1])c1C)-c1ccccn1
C/[NH+]=C(/NCCc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)C[*:1] C/[NH+]=C(/NC[*:1])N[C@@H]1CCN(C1)c1ccccc1
C/[NH+]=C(/NCCc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)CC[*:1] C/[NH+]=C(\N[C@@H]1CCN(C1)c1ccccc1)N[*:1]
C/[NH+]=C(/NCCc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCCc1ccccc1)N[C@@H]1CCN(C1)[*:1]
C/[NH+]=C(/NCCc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCC[*:1])N[C@@H]1CCN(C1)c1ccccc1
CCN(Cc1ccccn1)Cc1nc2c(s1)C[C@@H](C)CC2 c1ccc(C[*:1])nc1 CCN(Cc1nc2CC[C@H](C)Cc2s1)[*:1]
CCN(Cc1ccccn1)Cc1nc2c(s1)C[C@@H](C)CC2 c1ccc(nc1)[*:1] CCN(Cc1nc2CC[C@H](C)Cc2s1)C[*:1]
Cn1[nH]c(=O)c2c(C(=O)NCCc3ccccc3)cc(C3CC3)nc21 c1ccc(cc1)CC[*:1] Cn1[nH]c(=O)c2c(cc(nc21)C1CC1)C(=O)N[*:1]
Cn1[nH]c(=O)c2c(C(=O)NCCc3ccccc3)cc(C3CC3)nc21 c1ccc(cc1)[*:1] Cn1[nH]c(=O)c2c(cc(nc21)C1CC1)C(=O)NCC[*:1]
Cn1[nH]c(=O)c2c(C(=O)NCCc3ccccc3)cc(C3CC3)nc21 c1ccc(cc1)C[*:1] Cn1[nH]c(=O)c2c(cc(nc21)C1CC1)C(=O)NC[*:1]
Cn1[nH]c(=O)c2c(C(=O)NCCc3ccccc3)cc(C3CC3)nc21 C1CC1[*:1] Cn1[nH]c(=O)c2c(cc(nc21)[*:1])C(=O)NCCc1ccccc1
O=c1[nH]nc(CN2CCc3c(Cl)cc(Cl)cc3C2)[nH]1 O=c1[nH]nc([nH]1)[*:1] Clc1cc(Cl)c2CCN(Cc2c1)C[*:1]
Cc1n[nH]c(C)c1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 Cc1n[nH]c(C)c1[*:1] O=C(N[*:1])c1cccc(c1)CN1C(=O)c2ccccc2C1=O
Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]1c1cccc(c1)[*:1]
COc1ccc(-c2noc(=O)n2Cc2nn(-c3ccc(F)cc3)c3c2CCC3)cc1OC COc1ccc(cc1OC)[*:1] O=c1onc(n1Cc1nn(-c2ccc(F)cc2)c2CCCc12)[*:1]
COc1ccc(-c2noc(=O)n2Cc2nn(-c3ccc(F)cc3)c3c2CCC3)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1noc(=O)n1Cc1nn(c2CCCc12)[*:1]
CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@@H](NS(=O)(=O)c1c(C)noc1C)[*:1]
CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(Br)cc1 Cc1noc(C)c1[*:1] CC[C@@H](NS(=O)(=O)[*:1])c1ccc(Br)cc1
CCC1(CNC(=O)CCn2c(C)c(C)sc2=O)CCC1 CCC1(CCC1)[*:1] Cc1sc(=O)n(CCC(=O)NC[*:1])c1C
C[C@H](N[C@H](C)Cc1ccc(F)c(Br)c1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](N[C@H](C)Cc1ccc(F)c(Br)c1)[*:1]
Cc1c(C(=O)N2CC[C@H]3CCCC[C@@H]32)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CC[C@H]2CCCC[C@@H]21
Cc1csc(C[C@@H](O)Cc2nc(C(C)(C)C)cs2)n1 Cc1csc(n1)[*:1] CC(C)(C)c1csc(C[C@H](O)C[*:1])n1
Cc1csc(C[C@@H](O)Cc2nc(C(C)(C)C)cs2)n1 CC(C)(C)[*:1] Cc1csc(C[C@@H](O)Cc2nc(cs2)[*:1])n1
C[C@@H](CCCO)NC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 OCC[*:1] C[C@@H](C[*:1])NC(=O)N1CCC[C@H](C1)[NH+]1CCCCCC1
C[C@@H](CCCO)NC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 C[C@@H](CCCO)[*:1] O=C(N[*:1])N1CCC[C@H](C1)[NH+]1CCCCCC1
C[C@@H](CCCO)NC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 OCCC[*:1] C[C@@H](NC(=O)N1CCC[C@H](C1)[NH+]1CCCCCC1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)nn2c(C)cc(C)nc12 CC[C@H](C)NC(=O)[*:1] Cc1cc(C)n2nc(C)c(C(=O)N[C@H](C)[*:1])c2n1
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)nn2c(C)cc(C)nc12 CC[C@H](C)[*:1] Cc1cc(C)n2nc(C)c(C(=O)N[C@H](C)C(=O)N[*:1])c2n1
CC(=O)NCCC1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1 CC(=O)NCC[*:1] Cc1ccc(cc1)-n1cc(C[NH+]2CCC(CC2)[*:1])c(n1)-c1cccc(C)c1
CC(=O)NCCC1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1 CC(=O)NC[*:1] Cc1ccc(cc1)-n1cc(C[NH+]2CCC(CC2)C[*:1])c(n1)-c1cccc(C)c1
CC(=O)NCCC1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1 CC(=O)N[*:1] Cc1ccc(cc1)-n1cc(C[NH+]2CCC(CC2)CC[*:1])c(n1)-c1cccc(C)c1
CC(=O)NCCC1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] CC(=O)NCCC1CC[NH+](CC1)Cc1cn(nc1[*:1])-c1ccc(C)cc1
CC(=O)NCCC1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1 Cc1ccc(cc1)[*:1] CC(=O)NCCC1CC[NH+](CC1)Cc1cn(nc1-c1cccc(C)c1)[*:1]
Cc1ccc(-c2nc(CNC(=O)c3cc4c(C)nn(C)c4s3)co2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)c2sc(cc12)C(=O)NCc1coc(n1)[*:1]
CC(C)Oc1ccc([N-]S(=O)(=O)CCC2CC2)c(F)c1 C1CC1[*:1] CC(C)Oc1ccc([N-]S(=O)(=O)CC[*:1])c(F)c1
CC(C)Oc1ccc([N-]S(=O)(=O)CCC2CC2)c(F)c1 CC(C)O[*:1] O=S(=O)(CCC1CC1)[N-]c1ccc(cc1F)[*:1]
CC(C)Oc1ccc([N-]S(=O)(=O)CCC2CC2)c(F)c1 CC(C)[*:1] O=S(=O)(CCC1CC1)[N-]c1ccc(cc1F)O[*:1]
CC(C)Oc1ccc([N-]S(=O)(=O)CCC2CC2)c(F)c1 C1CC1CC[*:1] CC(C)Oc1ccc([N-]S(=O)(=O)[*:1])c(F)c1
CC(C)Oc1ccc([N-]S(=O)(=O)CCC2CC2)c(F)c1 C1CC1C[*:1] CC(C)Oc1ccc([N-]S(=O)(=O)C[*:1])c(F)c1
Cc1ccc(C(=O)/N=C(\[N-]CCc2c(C)nn(C)c2C)Nc2cc(Cl)ccc2C)cc1F Cc1nn(C)c(C)c1C[*:1] Cc1ccc(cc1F)C(=O)/N=C(\[N-]C[*:1])Nc1cc(Cl)ccc1C
Cc1ccc(C(=O)/N=C(\[N-]CCc2c(C)nn(C)c2C)Nc2cc(Cl)ccc2C)cc1F Cc1nn(C)c(C)c1[*:1] Cc1ccc(cc1F)C(=O)/N=C(\[N-]CC[*:1])Nc1cc(Cl)ccc1C
Cc1ccc(C(=O)/N=C(\[N-]CCc2c(C)nn(C)c2C)Nc2cc(Cl)ccc2C)cc1F Cc1ccc(Cl)cc1[*:1] Cc1ccc(cc1F)C(=O)/N=C(\[N-]CCc1c(C)nn(C)c1C)N[*:1]
Cc1ccc(C(=O)/N=C(\[N-]CCc2c(C)nn(C)c2C)Nc2cc(Cl)ccc2C)cc1F Cc1ccc(cc1F)[*:1] Cc1ccc(Cl)cc1N/C(=N/C(=O)[*:1])[N-]CCc1c(C)nn(C)c1C
O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 Clc1ccc(cc1)C[*:1] O=C(N1CCC[C@H](C1)c1cc2ccccc2cn1)[*:1]
O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 Clc1ccc(cc1)[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1cc2ccccc2cn1
COC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COC(=O)c1ccc(cc1)OCc1ccc(cc1)[*:1]
COC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 COC(=O)[*:1] O=[N+]([O-])c1ccc(cc1)COc1ccc(cc1)[*:1]
Cc1cc(=O)n(CC(=O)N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)nc1C OCC[*:1] Cc1cc(=O)n(CC(=O)N2CCC[C@]3(CCC(=O)N(C3)[*:1])C2)nc1C
Cc1cc(=O)n(CC(=O)N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)nc1C Cc1cc(=O)n(nc1C)[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)C[*:1])CN1CCO
CCOc1ccc(CC(=O)Nc2nc3c(C(C)C)cccc3s2)cc1 CCO[*:1] CC(C)c1cccc2sc(nc12)NC(=O)Cc1ccc(cc1)[*:1]
CCOc1ccc(CC(=O)Nc2nc3c(C(C)C)cccc3s2)cc1 CC(C)[*:1] CCOc1ccc(cc1)CC(=O)Nc1nc2c(cccc2s1)[*:1]
CCCN(C)C(=O)c1csc(C#CCN)c1 NCC#C[*:1] CCCN(C)C(=O)c1csc(c1)[*:1]
CCCN(C)C(=O)c1csc(C#CCN)c1 CCC[*:1] CN(C(=O)c1csc(C#CCN)c1)[*:1]
C[C@H](NC(=O)C[C@](C)(O)C(F)(F)F)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C[C@](C)(O)C(F)(F)F)[*:1]
C[C@H](NC(=O)C[C@](C)(O)C(F)(F)F)c1ccccc1 FC(F)(F)[*:1] C[C@H](NC(=O)C[C@](C)(O)[*:1])c1ccccc1
COc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)NNC(=O)[*:1]
CC[C@@H](NC(=O)CCOc1ccccc1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)CCOc1ccccc1)[*:1]
CC[C@@H](NC(=O)CCOc1ccccc1)c1nc(C)cs1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)CCO[*:1])c1nc(C)cs1
CC[C@@H](NC(=O)CCOc1ccccc1)c1nc(C)cs1 c1ccc(cc1)O[*:1] CC[C@@H](NC(=O)CC[*:1])c1nc(C)cs1
CCOc1ccc(NC(=O)C(=O)NCc2nnc3ccccn23)cc1F CCO[*:1] O=C(NCc1nnc2ccccn12)C(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)(C)c1cc(NC(=O)CCc2nc(C3CCCC3)no2)c(C#N)s1 C1CCC(C1)[*:1] CC(C)(C)c1cc(NC(=O)CCc2nc(no2)[*:1])c(C#N)s1
CC(C)(C)c1cc(NC(=O)CCc2nc(C3CCCC3)no2)c(C#N)s1 CC(C)(C)[*:1] N#Cc1sc(cc1NC(=O)CCc1nc(no1)C1CCCC1)[*:1]
CC(C)n1cc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)[*:1])N[C@@H]1c2ccccc2C[C@@H]1O
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)NC1(CO)CCCC1 C1CC1[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)[*:1])NC1(CO)CCCC1
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)NC1(CO)CCCC1 OCC1(CCCC1)[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)N[*:1]
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)NC1(CO)CCCC1 FC(F)(F)[*:1] O=C(N[C@@H](c1cccc(c1)[*:1])C1CC1)NC1(CO)CCCC1
CCCN(CCC)C(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C CCC[*:1] CCCN(C(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C)[*:1]
CCCN(CCC)C(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C CCCN(CCC)C(=O)[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1C[*:1]
CCCN(CCC)C(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C c1ccc(cc1)[*:1] CCCN(CCC)C(=O)Cc1c(C)nc2c(c(C)nn2c1C)[*:1]
C/C=C(C)/C=C/C(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 CC=C(C)[*:1] COC(=O)[C@@H]1CCN(C(=O)C=C[*:1])c2ccccc21
C/C=C(C)/C=C/C(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 C/C=C(\C)C=C[*:1] COC(=O)[C@@H]1CCN(C(=O)[*:1])c2ccccc21
C/C=C(C)/C=C/C(=O)N1CC[C@@H](C(=O)OC)c2ccccc21 COC(=O)[*:1] C/C=C(C)/C=C/C(=O)N1CC[C@@H](c2ccccc21)[*:1]
O=CN[C@H]1CCCC2=c3cc(C4CCCCC4)ccc3=[NH+][C@@H]21 O=CN[*:1] c1cc2=[NH+][C@H]3C(CCC[C@@H]3[*:1])=c2cc1C1CCCCC1
O=CN[C@H]1CCCC2=c3cc(C4CCCCC4)ccc3=[NH+][C@@H]21 C1CCC(CC1)[*:1] O=CN[C@H]1CCCC2=c3cc(ccc3=[NH+][C@@H]21)[*:1]
CN1CCO[C@@H](C(=O)N(Cc2cccc(F)c2)C2CC2)C1 C1CC1[*:1] CN1CCO[C@H](C1)C(=O)N(Cc1cccc(F)c1)[*:1]
CN1CCO[C@@H](C(=O)N(Cc2cccc(F)c2)C2CC2)C1 Fc1cccc(c1)[*:1] CN1CCO[C@H](C1)C(=O)N(C[*:1])C1CC1
Cc1noc(C)c1C(=O)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)C[*:1] Cc1noc(C)c1C(=O)N(Cc1ccccc1)[*:1]
Cc1noc(C)c1C(=O)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)[*:1] Cc1noc(C)c1C(=O)N(Cc1ccco1)C[*:1]
Cc1noc(C)c1C(=O)N(Cc1ccccc1)Cc1ccco1 c1ccc(cc1)C[*:1] Cc1noc(C)c1C(=O)N(Cc1ccco1)[*:1]
Cc1noc(C)c1C(=O)N(Cc1ccccc1)Cc1ccco1 c1coc(c1)[*:1] Cc1noc(C)c1C(=O)N(Cc1ccccc1)C[*:1]
Cc1noc(C)c1C(=O)N(Cc1ccccc1)Cc1ccco1 Cc1noc(C)c1[*:1] O=C(N(Cc1ccccc1)Cc1ccco1)[*:1]
CC(C)c1cc(N2CCC[C@@H]2C(=O)N2CCOCC2)nc(C(C)C)n1 O=C(N1CCOCC1)[*:1] CC(C)c1cc(nc(n1)C(C)C)N1CCC[C@H]1[*:1]
CC(C)c1cc(N2CCC[C@@H]2C(=O)N2CCOCC2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1cc(nc(n1)[*:1])N1CCC[C@@H]1C(=O)N1CCOCC1
CC(C)c1cc(N2CCC[C@@H]2C(=O)N2CCOCC2)nc(C(C)C)n1 CC(C)[*:1] CC(C)c1nc(cc(n1)[*:1])N1CCC[C@@H]1C(=O)N1CCOCC1
Cc1cc(C(=O)NCCNc2cccnc2)c2ccc(C)c(C)c2n1 c1cncc(c1)NC[*:1] Cc1cc(C(=O)NC[*:1])c2ccc(C)c(C)c2n1
Cc1cc(C(=O)NCCNc2cccnc2)c2ccc(C)c(C)c2n1 c1cncc(c1)N[*:1] Cc1cc(C(=O)NCC[*:1])c2ccc(C)c(C)c2n1
Cc1cc(C(=O)NCCNc2cccnc2)c2ccc(C)c(C)c2n1 c1cncc(c1)[*:1] Cc1cc(C(=O)NCCN[*:1])c2ccc(C)c(C)c2n1
CN(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)cn1 CN(C)[*:1] O=C(Nc1ccc(nc1)[*:1])[C@@H]1CCCN1C(=O)C1CC1
CN(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)cn1 C1CC1[*:1] CN(C)c1ccc(cn1)NC(=O)[C@@H]1CCCN1C(=O)[*:1]
Cc1ccc(-c2nc(C[NH2+]C[C@H]3CCCN3c3cccnn3)co2)cc1 Cc1ccc(cc1)[*:1] c1cnnc(c1)N1CCC[C@@H]1C[NH2+]Cc1coc(n1)[*:1]
Cc1ccc(-c2nc(C[NH2+]C[C@H]3CCCN3c3cccnn3)co2)cc1 c1cnnc(c1)[*:1] Cc1ccc(cc1)-c1nc(co1)C[NH2+]C[C@H]1CCCN1[*:1]
CC(C)[C@@H](CNC(=O)N1CCN(c2nccs2)CC1)[NH+]1CCCCCC1 CC(C)[*:1] O=C(NC[C@@H]([NH+]1CCCCCC1)[*:1])N1CCN(CC1)c1nccs1
CC(C)[C@@H](CNC(=O)N1CCN(c2nccs2)CC1)[NH+]1CCCCCC1 c1csc(n1)[*:1] CC(C)[C@@H](CNC(=O)N1CCN(CC1)[*:1])[NH+]1CCCCCC1
Cc1ccccc1C[C@@H](C)[NH2+][C@H](CCO)C1CC1 C1CC1[*:1] Cc1ccccc1C[C@@H](C)[NH2+][C@H](CCO)[*:1]
Cc1ccccc1C[C@@H](C)[NH2+][C@H](CCO)C1CC1 OCC[*:1] Cc1ccccc1C[C@@H](C)[NH2+][C@H](C1CC1)[*:1]
Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)C2(C)CC2)c1 CC1(CC1)C(=O)N[*:1] Cc1ccc(NC(=O)c2ccccc2)c(c1)[*:1]
Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)C2(C)CC2)c1 CC1(CC1)[*:1] Cc1ccc(NC(=O)c2ccccc2)c(c1)NC(=O)[*:1]
Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)C2(C)CC2)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[*:1])c(c1)NC(=O)C1(C)CC1
CN(C(=O)COc1ccc(-n2cnnn2)cc1)c1ccccc1 c1nnnn1[*:1] CN(C(=O)COc1ccc(cc1)[*:1])c1ccccc1
CN(C(=O)COc1ccc(-n2cnnn2)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)COc1ccc(cc1)-n1cnnn1)[*:1]
N#C/C(=C/c1cc(-c2ccccc2)cs1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] N#CC(=Cc1cc(cs1)-c1ccccc1)[*:1]
N#C/C(=C/c1cc(-c2ccccc2)cs1)C(=O)N1CCCC1 c1ccc(cc1)[*:1] N#C/C(=C/c1cc(cs1)[*:1])C(=O)N1CCCC1
O=S(=O)(Cc1ccc(F)cc1)N(CCc1cccs1)C1CC1 Fc1ccc(cc1)[*:1] O=S(=O)(C[*:1])N(CCc1cccs1)C1CC1
O=S(=O)(Cc1ccc(F)cc1)N(CCc1cccs1)C1CC1 c1csc(c1)[*:1] O=S(=O)(Cc1ccc(F)cc1)N(CC[*:1])C1CC1
O=S(=O)(Cc1ccc(F)cc1)N(CCc1cccs1)C1CC1 C1CC1[*:1] O=S(=O)(Cc1ccc(F)cc1)N(CCc1cccs1)[*:1]
O=S(=O)(Cc1ccc(F)cc1)N(CCc1cccs1)C1CC1 c1csc(c1)C[*:1] O=S(=O)(Cc1ccc(F)cc1)N(C[*:1])C1CC1
O=S(=O)(Cc1ccc(F)cc1)N(CCc1cccs1)C1CC1 c1csc(c1)CC[*:1] O=S(=O)(Cc1ccc(F)cc1)N(C1CC1)[*:1]
CSc1nc(C)c(CCC(=O)O[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c(C)n1 CSc1nc(C)c(c(C)n1)[*:1] C[C@H](OC(=O)CC[*:1])C(=O)N1c2ccccc2NC(=O)C1(C)C
CCc1[nH]c(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c(C)c1C(=O)OC COC(=O)[*:1] CCc1[nH]c(C(=O)N[C@@H]2CC[C@@H](C2)[NH+](C)C)c(C)c1[*:1]
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)c([O-])c([N+](=O)[O-])c1 Brc1ccc(cc1)C[*:1] COc1cc(/C=N\NC(=O)[*:1])c([O-])c(c1)[N+](=O)[O-]
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)c([O-])c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)c([O-])c(c1)[*:1]
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)c([O-])c([N+](=O)[O-])c1 Brc1ccc(cc1)[*:1] COc1cc(/C=N\NC(=O)C[*:1])c([O-])c(c1)[N+](=O)[O-]
COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1Cl Clc1ccccc1[*:1] COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)[*:1]
COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1Cl COc1ccccc1[*:1] O=C(c1ccccc1Cl)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1[*:1]
C[C@@H](CCNC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)[S@](C)=O Clc1ccc(cc1)[*:1] C[C@@H](CCNC(=O)N[C@H]1CC(=O)N(C)[C@H]1[*:1])[S@](C)=O
CCCCC(=O)N/N=C/C(C)=C/c1ccccc1 CCC[*:1] CC(/C=N/NC(=O)C[*:1])=C\c1ccccc1
CCCCC(=O)N/N=C/C(C)=C/c1ccccc1 c1ccc(cc1)[*:1] CCCCC(=O)N/N=C/C(/C)=C[*:1]
CCCCC(=O)N/N=C/C(C)=C/c1ccccc1 CCCC[*:1] CC(/C=N/NC(=O)[*:1])=C\c1ccccc1
Cc1nn(C)c(Oc2cccnc2)c1/C=C/C(=O)c1cncc(F)c1 c1cncc(c1)O[*:1] Cc1nn(C)c(c1/C=C/C(=O)c1cncc(F)c1)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1/C=C/C(=O)c1cncc(F)c1 Fc1cncc(c1)[*:1] Cc1nn(C)c(Oc2cccnc2)c1/C=C/C(=O)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1/C=C/C(=O)c1cncc(F)c1 c1cncc(c1)[*:1] Cc1nn(C)c(O[*:1])c1/C=C/C(=O)c1cncc(F)c1
C[C@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1=O c1ccc(cc1)C[*:1] C[C@@]1(NC(=O)N(CC(=O)N(c2nc(cs2)-c2ccc(F)cc2)[*:1])C1=O)C1CC1
C[C@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1=O C1CC1[*:1] C[C@@]1(NC(=O)N(CC(=O)N(Cc2ccccc2)c2nc(cs2)-c2ccc(F)cc2)C1=O)[*:1]
C[C@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1=O Fc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N(Cc2ccccc2)c2nc(cs2)[*:1])C1=O)C1CC1
C[C@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N(C[*:1])c2nc(cs2)-c2ccc(F)cc2)C1=O)C1CC1
Cc1c(F)cc(N)cc1S(=O)(=O)N(C)Cc1ccoc1 c1cc(co1)C[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)N(C)[*:1]
Cc1c(F)cc(N)cc1S(=O)(=O)N(C)Cc1ccoc1 c1cc(co1)[*:1] Cc1c(F)cc(N)cc1S(=O)(=O)N(C)C[*:1]
Cc1cc(C)n([C@H](C)C(=O)NC[C@H](O)COc2ccc(F)cc2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](C(=O)NC[C@H](O)COc1ccc(F)cc1)[*:1]
Cc1cc(C)n([C@H](C)C(=O)NC[C@H](O)COc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)NC[C@H](O)CO[*:1]
Cc1cc(C)n([C@H](C)C(=O)NC[C@H](O)COc2ccc(F)cc2)n1 Fc1ccc(cc1)O[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)NC[C@H](O)C[*:1]
CC/[NH+]=C(/NCCSc1ccccc1F)N1CCC(O)CC1 Fc1ccccc1[*:1] CC/[NH+]=C(/NCCS[*:1])N1CCC(O)CC1
O=C(CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)c1nc2ccc(cc2s1)[N+](=O)[O-])[*:1]
O=C(CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)c1ccccc1 O=[N+]([O-])[*:1] O=C(CN1CCN(CC1)c1nc2ccc(cc2s1)[*:1])c1ccccc1
O=C(CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)c1ccccc1 O=C(c1ccccc1)[*:1] O=[N+]([O-])c1ccc2nc(sc2c1)N1CCN(CC1)C[*:1]
O=C(CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)c1ccccc1 O=C(C[*:1])c1ccccc1 O=[N+]([O-])c1ccc2nc(sc2c1)N1CCN(CC1)[*:1]
CC(C)(C)OCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 CC(C)(C)O[*:1] O=C1C[C@@H](C(=O)Nc2ccc(cc2)C[*:1])c2ccccc2N1
CC(C)(C)OCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 CC(C)(C)[*:1] O=C1C[C@@H](C(=O)Nc2ccc(cc2)CO[*:1])c2ccccc2N1
CC(C)(C)OCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 CC(C)(C)OC[*:1] O=C1C[C@@H](C(=O)Nc2ccc(cc2)[*:1])c2ccccc2N1
[NH3+][C@H]1CCCC[C@@H]1C(=O)N1CC(C(=O)[O-])C1 O=C([O-])[*:1] [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CC(C1)[*:1]
CC(C)C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 c1cc(c[nH]1)[*:1] CC(C)C[C@@H]([NH2+]C[*:1])c1ccccc1
CC(C)C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 CC(C)[*:1] c1ccc(cc1)[C@@H](C[*:1])[NH2+]Cc1cc[nH]c1
CC(C)C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 CC(C)C[*:1] c1ccc(cc1)[C@H]([NH2+]Cc1cc[nH]c1)[*:1]
CC(C)C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@@H]([NH2+]Cc1cc[nH]c1)[*:1]
NC(=O)c1c(NC(=O)C2(c3ccccc3)CCCC2)sc2c1CCCC2 c1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)C2(CCCC2)[*:1])sc2CCCCc21
NC(=O)c1c(NC(=O)C2(c3ccccc3)CCCC2)sc2c1CCCC2 NC(=O)[*:1] O=C(Nc1sc2CCCCc2c1[*:1])C1(CCCC1)c1ccccc1
Nc1nc(-c2cncc(Br)c2)nc(C2CCCCCC2)n1 C1CCCC(CC1)[*:1] Nc1nc(nc(n1)[*:1])-c1cncc(Br)c1
Nc1nc(-c2cncc(Br)c2)nc(C2CCCCCC2)n1 Brc1cncc(c1)[*:1] Nc1nc(nc(n1)[*:1])C1CCCCCC1
CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC(=O)NC[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 CC(=O)NC[*:1] O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H](C1)[*:1]
CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 CC(=O)N[*:1] O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H](C1)C[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 Cc1ccc(cc1C)C[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N(C1CC1)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 C1CC1[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N(Cc1ccc(C)c(C)c1)[*:1]
CCc1nc2n(n1)CCC[C@H]2NC(=O)N(Cc1ccc(C)c(C)c1)C1CC1 Cc1ccc(cc1C)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N(C[*:1])C1CC1
COC(OC)[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 COC(OC)[*:1] CC(C)(C)c1ccc(cc1)[C@@H]([NH3+])[*:1]
COC(OC)[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] COC(OC)[C@H]([NH3+])c1ccc(cc1)[*:1]
Cc1ccc2c(c1)N(CC(=O)c1ccc(Cl)cc1)C(=O)[C@@H](C)O2 Clc1ccc(cc1)[*:1] Cc1ccc2O[C@H](C)C(=O)N(CC(=O)[*:1])c2c1
Cc1cc(C(=O)CN2CCN(C(=O)c3ccoc3)CC2)c(C)n1C1CC1 c1cc(co1)[*:1] Cc1cc(C(=O)CN2CCN(CC2)C(=O)[*:1])c(C)n1C1CC1
Cc1cc(C(=O)CN2CCN(C(=O)c3ccoc3)CC2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)CN2CCN(CC2)C(=O)c2ccoc2)c(C)n1[*:1]
CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](C2CCCCC2)CC1 CCC(C)(C)n1nnnc1[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)[C@H](N1CC[NH+](CC1)C1CCCCC1)[*:1]
CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](C2CCCCC2)CC1 CCC(C)(C)[*:1] Cc1cc(C)c2[nH]c(=O)c(cc2c1)[C@@H](c1nnnn1[*:1])N1CC[NH+](CC1)C1CCCCC1
O=C(c1cccnc1)N1CCN(C(=O)C2CC2)CC1 c1cncc(c1)[*:1] O=C(C1CC1)N1CCN(CC1)C(=O)[*:1]
O=C(c1cccnc1)N1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(c1cccnc1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(CC(=O)Nc2ccc(-c3nnc(C(C)(C)C)o3)cc2)cc1 CC(C)(C)c1nnc(o1)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(CC(=O)Nc2ccc(-c3nnc(C(C)(C)C)o3)cc2)cc1 COc1ccc(cc1)C[*:1] CC(C)(C)c1nnc(o1)-c1ccc(cc1)NC(=O)[*:1]
COc1ccc(CC(=O)Nc2ccc(-c3nnc(C(C)(C)C)o3)cc2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)CC(=O)Nc1ccc(cc1)-c1nnc(o1)[*:1]
COc1ccc(CC(=O)Nc2ccc(-c3nnc(C(C)(C)C)o3)cc2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)c1nnc(o1)-c1ccc(cc1)NC(=O)C[*:1]
CSCCOC(=O)c1cc(C2CC2)nc2ccc(F)cc12 CSCC[*:1] O=C(O[*:1])c1cc(nc2ccc(F)cc12)C1CC1
CSCCOC(=O)c1cc(C2CC2)nc2ccc(F)cc12 CSCCOC(=O)[*:1] Fc1ccc2nc(cc(c2c1)[*:1])C1CC1
CSCCOC(=O)c1cc(C2CC2)nc2ccc(F)cc12 C1CC1[*:1] CSCCOC(=O)c1cc(nc2ccc(F)cc12)[*:1]
CSCCOC(=O)c1cc(C2CC2)nc2ccc(F)cc12 CSC[*:1] O=C(OC[*:1])c1cc(nc2ccc(F)cc12)C1CC1
COC(=O)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 COC(=O)CC[*:1] C[C@H]([NH2+]C[*:1])c1cc(F)cc(F)c1
COC(=O)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 COC(=O)C[*:1] C[C@H]([NH2+]CC[*:1])c1cc(F)cc(F)c1
COC(=O)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 COC(=O)[*:1] C[C@H]([NH2+]CCC[*:1])c1cc(F)cc(F)c1
CC[C@H](C)NC(=O)Nc1cccc(-c2noc(-c3ccncc3)n2)c1 c1cc(ccn1)[*:1] CC[C@H](C)NC(=O)Nc1cccc(c1)-c1noc(n1)[*:1]
CC[C@H](C)NC(=O)Nc1cccc(-c2noc(-c3ccncc3)n2)c1 CC[C@H](C)NC(=O)N[*:1] c1cc(cc(c1)[*:1])-c1noc(n1)-c1ccncc1
CC[C@H](C)NC(=O)Nc1cccc(-c2noc(-c3ccncc3)n2)c1 CC[C@H](C)[*:1] O=C(Nc1cccc(c1)-c1noc(n1)-c1ccncc1)N[*:1]
COc1ccccc1[C@H](C)N(C)C(=O)CCN1C(=O)CSc2ccccc21 COc1ccccc1[*:1] C[C@H](N(C)C(=O)CCN1C(=O)CSc2ccccc21)[*:1]
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 Fc1ccc(cc1F)[*:1] C[C@@H](N(C)C(=O)NC1CCN(CC1)c1ccc(C#N)cn1)[*:1]
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 N#Cc1ccc(nc1)[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NC1CCN(CC1)[*:1]
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H](Br)[C@]2(O)C(C)=O)C1 CC(=O)O[*:1] CC(=O)[C@@]1(O)[C@H](Br)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@@]21C)[*:1]
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H](Br)[C@]2(O)C(C)=O)C1 CC(=O)[*:1] CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H](Br)[C@@]2(O)[*:1])C1
C#CCOC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](C)CC CC[C@@H](C)[*:1] C#CCOC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[*:1]
C#CCOC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](C)CC C#CCOC(=O)[*:1] CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)[*:1]
C#CCOC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](C)CC Clc1ccc(cc1)[*:1] C#CCOC(=O)[C@@H](NC(=O)[*:1])[C@H](C)CC
C#CCOC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](C)CC C#CC[*:1] CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[*:1]
COc1ccc(-c2ncc(C(=O)N3C[C@H]4CC=CC[C@@H]4C3)s2)cc1 COc1ccc(cc1)[*:1] O=C(c1cnc(s1)[*:1])N1C[C@H]2CC=CC[C@@H]2C1
C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc2S1 Brc1cccc(c1)[*:1] C[C@@H]1CC(=O)Nc2cc(ccc2S1)S(=O)(=O)N[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F c1ccc(cc1)[*:1] CN(C[*:1])S(=O)(=O)c1cc(ccc1F)C(=O)Nc1ccc(Br)cc1
CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F c1ccc(cc1)C[*:1] CN(S(=O)(=O)c1cc(ccc1F)C(=O)Nc1ccc(Br)cc1)[*:1]
CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1F Brc1ccc(cc1)[*:1] CN(Cc1ccccc1)S(=O)(=O)c1cc(ccc1F)C(=O)N[*:1]
COCCCOc1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] COCCCOc1cccc(F)c1[*:1]
COCCCOc1cccc(F)c1C(=O)[O-] COCCC[*:1] O=C([O-])c1c(F)cccc1O[*:1]
COCCCOc1cccc(F)c1C(=O)[O-] COC[*:1] O=C([O-])c1c(F)cccc1OCC[*:1]
COCCCOc1cccc(F)c1C(=O)[O-] COCC[*:1] O=C([O-])c1c(F)cccc1OC[*:1]
O=C(OCC1CC1)c1ccc(N2CCCS2(=O)=O)cc1 C1CC1C[*:1] O=C(O[*:1])c1ccc(cc1)N1CCCS1(=O)=O
O=C(OCC1CC1)c1ccc(N2CCCS2(=O)=O)cc1 C1CC1[*:1] O=C(OC[*:1])c1ccc(cc1)N1CCCS1(=O)=O
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)N(C)C)c(C)c1 CN(C)C(=O)[*:1] Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OC[*:1])c(C)c1
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)N(C)C)c(C)c1 CN(C)C(=O)C[*:1] Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2O[*:1])c(C)c1
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)N(C)C)c(C)c1 CN(C)C(=O)CO[*:1] Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2[*:1])c(C)c1
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)N(C)C)c(C)c1 Cc1ccc(c(C)c1)[*:1] CN(C)C(=O)COc1ccccc1/C=C(/C#N)C(=O)N[*:1]
CCN1C(=O)C(=O)N(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C1=O CC(=O)[*:1] CCN1C(=O)C(=O)N(CC(=O)c2[nH]c(C)c(c2C)[*:1])C1=O
O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCCCC2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+]1CCCCCC1
Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H]([NH+]1CCCCCC1)[*:1])c1ccc(F)cc1
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 Clc1ccc(cc1Cl)[*:1] CN(CC(=O)N[*:1])C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12
Cc1cc([C@@H](C)[NH2+]CC2CCCC2)c(C)o1 C1CCC(C1)[*:1] Cc1cc(c(C)o1)[C@@H](C)[NH2+]C[*:1]
NNC(=O)c1ccn(COc2ccc(F)cc2[N+](=O)[O-])n1 NNC(=O)[*:1] O=[N+]([O-])c1cc(F)ccc1OCn1ccc(n1)[*:1]
NNC(=O)c1ccn(COc2ccc(F)cc2[N+](=O)[O-])n1 O=[N+]([O-])[*:1] NNC(=O)c1ccn(COc2ccc(F)cc2[*:1])n1
COC(=O)[C@H](C)[C@@H](NCc1cnc(C)cn1)c1ccccc1 COC(=O)[C@H](C)[*:1] Cc1cnc(cn1)CN[C@@H](c1ccccc1)[*:1]
COC(=O)[C@H](C)[C@@H](NCc1cnc(C)cn1)c1ccccc1 COC(=O)[*:1] Cc1cnc(cn1)CN[C@@H](c1ccccc1)[C@@H](C)[*:1]
COC(=O)[C@H](C)[C@@H](NCc1cnc(C)cn1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)[C@@H](NCc1cnc(C)cn1)[*:1]
COC(=O)[C@H](C)[C@@H](NCc1cnc(C)cn1)c1ccccc1 Cc1cnc(cn1)[*:1] COC(=O)[C@H](C)[C@@H](NC[*:1])c1ccccc1
CCCCC(=O)Nc1ccc(C(=O)NNC(C)=O)cc1 CCCC[*:1] CC(=O)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
CCCCC(=O)Nc1ccc(C(=O)NNC(C)=O)cc1 CCC[*:1] CC(=O)NNC(=O)c1ccc(cc1)NC(=O)C[*:1]
CC[C@@](C)(NC(=O)c1cc(C)c(Br)s1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)c1cc(C)c(Br)s1)[*:1]
COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2ccc(C(C)C)cc2)c1 CC(C)[*:1] COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2ccc(cc2)[*:1])c1
COCc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1 COC[*:1] Fc1ccc(cc1)-c1n[nH]cc1C[NH2+]Cc1ccc(cc1)[*:1]
COCc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COCc1ccc(cc1)C[NH2+]Cc1c[nH]nc1[*:1]
Cc1nnc(CSCc2csc(-c3ccsc3)n2)n1C c1cc(cs1)[*:1] Cc1nnc(CSCc2csc(n2)[*:1])n1C
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)COc1ccccc1C#N N#Cc1ccccc1O[*:1] CCN(CC(=O)Nc1ccc2OCCOc2c1)C(=O)C[*:1]
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)COc1ccccc1C#N N#Cc1ccccc1[*:1] CCN(CC(=O)Nc1ccc2OCCOc2c1)C(=O)CO[*:1]
O=S(=O)(c1cccc(Br)c1)N1CCC[C@@H]1c1nnc2ccccn12 Brc1cccc(c1)[*:1] O=S(=O)(N1CCC[C@@H]1c1nnc2ccccn12)[*:1]
Nc1cc(CCCNC(=O)[C@H]2CC=CCC2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Nc1cc(CCCNC(=O)[C@H]2CC=CCC2)nn1[*:1]
COC(=O)[C@H](C)N(C(=O)c1cccc(-c2csc(C)n2)c1)C1CC1 COC(=O)[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)N(C1CC1)[C@@H](C)[*:1]
COC(=O)[C@H](C)N(C(=O)c1cccc(-c2csc(C)n2)c1)C1CC1 C1CC1[*:1] COC(=O)[C@H](C)N(C(=O)c1cccc(c1)-c1csc(C)n1)[*:1]
COC(=O)[C@H](C)N(C(=O)c1cccc(-c2csc(C)n2)c1)C1CC1 Cc1nc(cs1)[*:1] COC(=O)[C@H](C)N(C(=O)c1cccc(c1)[*:1])C1CC1
Cc1cc([C@H](Nc2cccc[nH+]2)c2ccccc2)c(NC(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cc(c(NC(=O)[*:1])s1)[C@H](Nc1cccc[nH+]1)c1ccccc1
Cc1cc([C@H](Nc2cccc[nH+]2)c2ccccc2)c(NC(=O)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cc(c(NC(=O)c2ccccc2)s1)[C@H](Nc1cccc[nH+]1)[*:1]
Cc1cc([C@H](Nc2cccc[nH+]2)c2ccccc2)c(NC(=O)c2ccccc2)s1 O=C(N[*:1])c1ccccc1 Cc1cc(c(s1)[*:1])[C@H](Nc1cccc[nH+]1)c1ccccc1
N#Cc1ccncc1N1CC[NH+](C[C@@H]2CCOC2)CC1 C1C[C@H](CO1)[*:1] N#Cc1ccncc1N1CC[NH+](CC1)C[*:1]
C[C@@]1(c2ccccc2)CCCN(C(=O)C2=CCCCO2)C1 c1ccc(cc1)[*:1] C[C@]1(CCCN(C1)C(=O)C1=CCCCO1)[*:1]
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1[NH2+]C[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] CC1(C)[C@H]2OCCC[C@@H]2[C@H]1[NH2+]C[*:1]
CC(C)C[C@H](NCC1=NC(=O)C2=C3CCC[C@@H]3SC2=N1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@H](NCC1=NC(=O)C2C(=N1)S[C@H]1CCCC=21)[*:1]
CC(C)C[C@H](NCC1=NC(=O)C2=C3CCC[C@@H]3SC2=N1)c1ccccc1 CC(C)[*:1] O=C1N=C(CN[C@@H](C[*:1])c2ccccc2)N=C2S[C@H]3CCCC3=C12
CC(C)C[C@H](NCC1=NC(=O)C2=C3CCC[C@@H]3SC2=N1)c1ccccc1 CC(C)C[*:1] O=C1N=C(CN[C@H](c2ccccc2)[*:1])N=C2S[C@H]3CCCC3=C12
CC(=O)C/N=C1\N=C(N2CCOCC2)S1 CC(=O)[*:1] C1CN(CCO1)C1=N/C(=N\C[*:1])S1
CC(=O)C/N=C1\N=C(N2CCOCC2)S1 CC(=O)C[*:1] C1CN(CCO1)C1=NC(=N[*:1])S1
C=CCN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)c1nc2ccccc2s1 C=CC[*:1] CS(=O)(=O)N1CCC[C@H]1C(=O)N(c1nc2ccccc2s1)[*:1]
CC(C)Cc1ccc(C[NH2+]CC2(N(C)C)CCOCC2)cc1 CC(C)[*:1] CN(C)C1(CCOCC1)C[NH2+]Cc1ccc(cc1)C[*:1]
CC(C)Cc1ccc(C[NH2+]CC2(N(C)C)CCOCC2)cc1 CC(C)C[*:1] CN(C)C1(CCOCC1)C[NH2+]Cc1ccc(cc1)[*:1]
CC(C)Cc1ccc(C[NH2+]CC2(N(C)C)CCOCC2)cc1 CN(C)[*:1] CC(C)Cc1ccc(cc1)C[NH2+]CC1(CCOCC1)[*:1]
O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1O[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1cccn1
O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 c1cnn(c1)[*:1] O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CCCN(C1)c1ccc(nn1)[*:1]
O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CCCN(c2ccc(-n3cccn3)nn2)C1 FC(F)(F)O[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CCCN(C1)c1ccc(nn1)-n1cccn1
CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OC(C)(C)C)CC2)CC1 CCC[*:1] CC(C)(C)OC1CC[NH+](CC1)Cc1ccccc1N1CC[NH+](CC1)[*:1]
CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OC(C)(C)C)CC2)CC1 CC(C)(C)[*:1] CCC[NH+]1CCN(CC1)c1ccccc1C[NH+]1CCC(CC1)O[*:1]
CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OC(C)(C)C)CC2)CC1 CC(C)(C)O[*:1] CCC[NH+]1CCN(CC1)c1ccccc1C[NH+]1CCC(CC1)[*:1]
CC(C)(CNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)[*:1]
CCCCN(C)C(=O)C1CCN([C@H]2CCOC2=O)CC1 O=C1OCC[C@@H]1[*:1] CCCCN(C)C(=O)C1CCN(CC1)[*:1]
CCCCN(C)C(=O)C1CCN([C@H]2CCOC2=O)CC1 CCCC[*:1] CN(C(=O)C1CCN(CC1)[C@H]1CCOC1=O)[*:1]
CCCCN(C)C(=O)C1CCN([C@H]2CCOC2=O)CC1 CCC[*:1] CN(C[*:1])C(=O)C1CCN(CC1)[C@H]1CCOC1=O
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 O=C([O-])[*:1] O=C([C@@H]1[C@H]([C@H]2CC[C@@H]1C2)[*:1])N1CC[NH+](CC1)C1CCCCC1
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC[NH+](CC1)[*:1]
CCCO[C@H]1CCCCC[C@@H]1[NH3+] CCCO[*:1] [NH3+][C@H]1CCCCC[C@@H]1[*:1]
CCCO[C@H]1CCCCC[C@@H]1[NH3+] CCC[*:1] [NH3+][C@H]1CCCCC[C@@H]1O[*:1]
CCC[NH+]1CCC(CNC(=O)c2cccc3[nH]ccc23)CC1 CCC[*:1] O=C(NCC1CC[NH+](CC1)[*:1])c1cccc2[nH]ccc12
CCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)s2)CC1 Clc1ccc(s1)[*:1] CCCCC(=O)NC1CC[NH+](CC1)C[*:1]
CCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)s2)CC1 CCC[*:1] O=C(C[*:1])NC1CC[NH+](CC1)Cc1ccc(Cl)s1
CCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)s2)CC1 CCCC[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(Cl)s1)[*:1]
C[C@@H]1C[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C(=O)O1 O=[N+]([O-])[*:1] C[C@@H]1C[C@@H](Oc2cc(F)ccc2[*:1])C(=O)O1
Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+](C)C)cc1F Cn1cccc1[*:1] Cc1ccc(cc1F)NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+](C)C)cc1F Cc1ccc(cc1F)[*:1] Cn1cccc1[C@@H](CNC(=O)C(=O)N[*:1])[NH+](C)C
CCCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3Br)C[C@]23C=C[C@H]1O3 CCC[*:1] O=C(OCC[*:1])[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)c1ccccc1Br
CCCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3Br)C[C@]23C=C[C@H]1O3 Brc1ccccc1[*:1] CCCCCOC(=O)[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)[*:1]
CCCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3Br)C[C@]23C=C[C@H]1O3 CCCCC[*:1] O=C(O[*:1])[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)c1ccccc1Br
CCCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3Br)C[C@]23C=C[C@H]1O3 CCCCCOC(=O)[*:1] O=C1[C@H]2[C@@H]([C@H]3C=C[C@]2(CN1c1ccccc1Br)O3)[*:1]
CCCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3Br)C[C@]23C=C[C@H]1O3 CCCC[*:1] O=C(OC[*:1])[C@H]1[C@@H]2C(=O)N(C[C@]23C=C[C@H]1O3)c1ccccc1Br
COc1ccc(CNC(=O)N2CCN(c3nc4c(OC)cccc4s3)CC2)cc1 COc1ccc(cc1)C[*:1] COc1cccc2sc(nc12)N1CCN(CC1)C(=O)N[*:1]
COc1ccc(CNC(=O)N2CCN(c3nc4c(OC)cccc4s3)CC2)cc1 COc1ccc(cc1)[*:1] COc1cccc2sc(nc12)N1CCN(CC1)C(=O)NC[*:1]
O=C(NCCCc1n[nH]c(=O)[nH]1)c1cccc(F)c1F O=c1[nH]nc([nH]1)[*:1] O=C(NCCC[*:1])c1cccc(F)c1F
COC(=O)c1sc(S[C@@H](C)CO)nc1Cl C[C@@H](CO)S[*:1] COC(=O)c1sc(nc1Cl)[*:1]
COC(=O)c1sc(S[C@@H](C)CO)nc1Cl C[C@@H](CO)[*:1] COC(=O)c1sc(nc1Cl)S[*:1]
COC(=O)c1sc(S[C@@H](C)CO)nc1Cl COC(=O)[*:1] C[C@@H](CO)Sc1nc(Cl)c(s1)[*:1]
CCOC(=O)COc1ccc(/C=C/C(=O)[O-])cc1 CCOC(=O)C[*:1] O=C([O-])/C=C/c1ccc(cc1)O[*:1]
CCOC(=O)COc1ccc(/C=C/C(=O)[O-])cc1 CCOC(=O)[*:1] O=C([O-])/C=C/c1ccc(cc1)OC[*:1]
CCOC(=O)COc1ccc(/C=C/C(=O)[O-])cc1 O=C([O-])C=C[*:1] CCOC(=O)COc1ccc(cc1)[*:1]
CCOC(=O)COc1ccc(/C=C/C(=O)[O-])cc1 O=C([O-])[*:1] CCOC(=O)COc1ccc(C=C[*:1])cc1
COC(=O)c1ccccc1N[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] COC(=O)c1ccccc1N[C@H](C)[*:1]
COC(=O)c1ccccc1N[C@H](C)c1ccc(Cl)s1 COC(=O)[*:1] C[C@@H](Nc1ccccc1[*:1])c1ccc(Cl)s1
O=C(NC[C@@H](O)C1CCCC1)N[C@H]1CC=CCC1 C1CCC(C1)[*:1] O=C(NC[C@@H](O)[*:1])N[C@H]1CC=CCC1
CN(C)C(=O)Sc1ccc(C[NH+]2CCCN(C3CCOCC3)CC2)cc1 CN(C)C(=O)S[*:1] c1cc(ccc1C[NH+]1CCCN(CC1)C1CCOCC1)[*:1]
CN(C)C(=O)Sc1ccc(C[NH+]2CCCN(C3CCOCC3)CC2)cc1 C1CC(CCO1)[*:1] CN(C)C(=O)Sc1ccc(cc1)C[NH+]1CCCN(CC1)[*:1]
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O O=C([O-])[*:1] C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@H]1O)[*:1]
COCC(=O)N1CCN(Cn2ncnc2-c2ccccc2Cl)CC1 Clc1ccccc1[*:1] COCC(=O)N1CCN(CC1)Cn1ncnc1[*:1]
COCC(=O)N1CCN(Cn2ncnc2-c2ccccc2Cl)CC1 COC[*:1] O=C(N1CCN(CC1)Cn1ncnc1-c1ccccc1Cl)[*:1]
COc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c(OC)c1OC O=C(N[*:1])c1ccsc1 COc1ccc(C[NH+]2CCC(CC2)[*:1])c(OC)c1OC
COc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c(OC)c1OC c1cc(cs1)[*:1] COc1ccc(C[NH+]2CCC(CC2)NC(=O)[*:1])c(OC)c1OC
CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1C1CC1 Fc1ccc(cc1F)[*:1] CCn1c(nnc1C1CC1)S[C@@H](C)C(=O)Nc1nc(cs1)[*:1]
CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1
CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)C2CCN(C(C)=O)CC2)C1 Fc1ccc(C[*:1])c(F)c1 CCOC(=O)[C@]1(CCCN(C1)C(=O)C1CCN(CC1)C(C)=O)[*:1]
CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)C2CCN(C(C)=O)CC2)C1 Fc1ccc(c(F)c1)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)C1CCN(CC1)C(C)=O)C[*:1]
CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)C2CCN(C(C)=O)CC2)C1 CC(=O)N1CCC(CC1)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1ccc(F)cc1F
CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)C2CCN(C(C)=O)CC2)C1 CCOC(=O)[*:1] CC(=O)N1CCC(CC1)C(=O)N1CCC[C@](Cc2ccc(F)cc2F)(C1)[*:1]
CC[C@@H]1CCCCN1C(=O)CSc1ncnc2nc(N3CCOCC3)sc12 C1CN(CCO1)[*:1] CC[C@@H]1CCCCN1C(=O)CSc1ncnc2nc(sc12)[*:1]
O=C(Nc1cccc(C2SCCCS2)c1)NC1CC1 C1CSC(SC1)[*:1] O=C(Nc1cccc(c1)[*:1])NC1CC1
O=C(Nc1cccc(C2SCCCS2)c1)NC1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)C1SCCCS1)N[*:1]
CS(=O)(=O)CCNc1nc(C[NH+]2CCCC2)nc2sc3c(c12)CCCC3 CS(=O)(=O)CC[*:1] C1CCc2c(C1)sc1nc(C[NH+]3CCCC3)nc(N[*:1])c21
CS(=O)(=O)CCNc1nc(C[NH+]2CCCC2)nc2sc3c(c12)CCCC3 CS(=O)(=O)C[*:1] C1CCc2c(C1)sc1nc(C[NH+]3CCCC3)nc(NC[*:1])c21
CS(=O)(=O)CCNc1nc(C[NH+]2CCCC2)nc2sc3c(c12)CCCC3 CS(=O)(=O)CCN[*:1] C1CCc2c(C1)sc1nc(C[NH+]3CCCC3)nc(c21)[*:1]
CS(=O)(=O)CCNc1nc(C[NH+]2CCCC2)nc2sc3c(c12)CCCC3 CS(=O)(=O)[*:1] C1CCc2c(C1)sc1nc(C[NH+]3CCCC3)nc(NCC[*:1])c21
Cc1c(NC(=O)C2(c3ccccc3)CC2)cccc1C(=O)N1CCc2sccc2C1 c1ccc(cc1)C1(CC1)[*:1] Cc1c(cccc1C(=O)N1CCc2sccc2C1)NC(=O)[*:1]
Cc1c(NC(=O)C2(c3ccccc3)CC2)cccc1C(=O)N1CCc2sccc2C1 c1ccc(cc1)[*:1] Cc1c(cccc1C(=O)N1CCc2sccc2C1)NC(=O)C1(CC1)[*:1]
COc1ccccc1NC(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(Cl)c1 COc1ccccc1[*:1] CC1N=NC2=N[C@H](SCC(=O)N[*:1])N(C(=N)C=12)c1cccc(Cl)c1
COc1ccccc1NC(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1ccccc1NC(=O)CS[C@H]1N=C2N=NC(C)=C2C(=N)N1[*:1]
CCC[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1cc(ccc1F)N1CCCC1=O)[*:1]
CCC[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)C(=O)OC O=C1CCCN1[*:1] CCC[C@H](NC(=O)c1cc(ccc1F)[*:1])C(=O)OC
CCC[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)C(=O)OC CCC[C@H](C(=O)OC)[*:1] O=C(N[*:1])c1cc(ccc1F)N1CCCC1=O
CCC[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1cc(ccc1F)N1CCCC1=O)[*:1]
CC[C@H](C)[C@H]([NH3+])c1ccc(Cl)s1 CC[C@H](C)[*:1] [NH3+][C@H](c1ccc(Cl)s1)[*:1]
Cc1ccc(CNC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 Cc1ccc(C[*:1])c(C)c1 Cc1cc(C)c(NC(=O)CN(C)C(=O)N[*:1])c(C)c1
Cc1ccc(CNC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)NC[*:1])c(C)c1
Cc1ccc(CNC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1ccc(CNC(=O)N(C)CC(=O)N[*:1])c(C)c1
O=C(CN1C(=O)COc2ccccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CN1C(=O)COc2ccccc21)Nc1ccc(Cl)c(c1)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1ccc(cc1C(=O)N(C)[C@H](C)[*:1])S(C)(=O)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)[C@H](C)c1cccc(Cl)c1 CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N(C)[C@H](C)c1cccc(Cl)c1)[*:1]
O=C(COc1ccc(Br)cc1)NCCOc1ccccc1F Brc1ccc(cc1)[*:1] O=C(CO[*:1])NCCOc1ccccc1F
O=C(COc1ccc(Br)cc1)NCCOc1ccccc1F Fc1ccccc1[*:1] O=C(COc1ccc(Br)cc1)NCCO[*:1]
O=C1NC(=S)N/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 O=C1NC(=S)NC1=C[*:1] c1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
O=C1NC(=S)N/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C1NC(=S)N/C1=C/c1cn(nc1[*:1])-c1ccccc1
O=C1NC(=S)N/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C1NC(=S)N/C1=C/c1cn(nc1-c1ccccc1)[*:1]
Cc1cnn(Cc2nc(Cc3ccccc3C)no2)c1 Cc1cnn(c1)[*:1] Cc1ccccc1Cc1noc(C[*:1])n1
CC[C@H](C)N1C[C@@](C)(C2CC2)[NH2+]CC12CCCCC2 C1CC1[*:1] CC[C@H](C)N1C[C@@](C)([NH2+]CC12CCCCC2)[*:1]
CC[C@H](C)N1C[C@@](C)(C2CC2)[NH2+]CC12CCCCC2 CC[C@H](C)[*:1] C[C@]1(CN(C2(CCCCC2)C[NH2+]1)[*:1])C1CC1
C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(S(C)(=O)=O)cc1 O=C1CCCN1[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])c1ccc(cc1)S(C)(=O)=O
C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@H](NC(=O)c1cccc(c1)N1CCCC1=O)c1ccc(cc1)[*:1]
COCCCNC(=O)[C@@H](C)Oc1c(N)cc(Cl)cc1Br COCCC[*:1] C[C@@H](Oc1c(N)cc(Cl)cc1Br)C(=O)N[*:1]
COCCCNC(=O)[C@@H](C)Oc1c(N)cc(Cl)cc1Br COCC[*:1] C[C@@H](Oc1c(N)cc(Cl)cc1Br)C(=O)NC[*:1]
COCCCNC(=O)[C@@H](C)Oc1c(N)cc(Cl)cc1Br COC[*:1] C[C@@H](Oc1c(N)cc(Cl)cc1Br)C(=O)NCC[*:1]
C[C@@H](C[NH2+]C(C)(C)C)[C@H](C)N(C)Cc1ccccc1F CC(C)(C)[*:1] C[C@@H](C[NH2+][*:1])[C@H](C)N(C)Cc1ccccc1F
CC(C)n1c(=O)n(CCO)c(=O)c2c3c(sc21)COC(C)(C)C3 CC(C)[*:1] CC1(C)Cc2c(CO1)sc1c2c(=O)n(CCO)c(=O)n1[*:1]
CC(C)n1c(=O)n(CCO)c(=O)c2c3c(sc21)COC(C)(C)C3 OCC[*:1] CC(C)n1c(=O)n(c(=O)c2c3CC(C)(C)OCc3sc21)[*:1]
COc1ccc(NC(=O)CCC(=O)N2CCCN(c3nc4cccnc4s3)CC2)cc1OC c1cnc2sc(nc2c1)[*:1] COc1ccc(cc1OC)NC(=O)CCC(=O)N1CCCN(CC1)[*:1]
COc1ccc(NC(=O)CCC(=O)N2CCCN(c3nc4cccnc4s3)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(CCC(=O)N1CCCN(CC1)c1nc2cccnc2s1)N[*:1]
Cc1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc2C(=O)N(C)C(=O)c2c1
Cc1cccc(N(C)C(=O)C[C@H](O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1cccc(c1)N(C)C(=O)C[C@H](O)[*:1]
Cc1cccc(N(C)C(=O)C[C@H](O)c2ccc(Cl)cc2)c1 Cc1cccc(c1)[*:1] CN(C(=O)C[C@H](O)c1ccc(Cl)cc1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccccc1[N+](=O)[O-]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccccc2[N+](=O)[O-])N1CCc1ccccc1
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])c1ccccc1[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccccc1[N+](=O)[O-]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccccc2[N+](=O)[O-])N1CCc1ccccc1)[*:1]
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccccc1[N+](=O)[O-])[*:1]
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)Nc1ccc(nc1)N1CC[NH+](C)CC1
O=c1cc(CS(=O)(=O)c2ccccc2)nc2ccccn12 c1ccc(cc1)[*:1] O=c1cc(CS(=O)(=O)[*:1])nc2ccccn12
Cn1ccc(S(=O)(=O)NCC[NH2+]C2C3CC4CC(C3)CC2C4)c1 Cn1ccc(c1)[*:1] O=S(=O)(NCC[NH2+]C1C2CC3CC(C2)CC1C3)[*:1]
CN(CCC#N)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 CN(CCC#N)[*:1] O=C(C[*:1])N[C@@H](c1ccccc1)c1cccc(Cl)c1
CN(CCC#N)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 N#CC[*:1] CN(CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)C[*:1]
CN(CCC#N)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] CN(CCC#N)CC(=O)N[C@@H](c1cccc(Cl)c1)[*:1]
CN(CCC#N)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 N#CCC[*:1] CN(CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)[*:1]
CN(CCC#N)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 CN(CCC#N)C[*:1] O=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)[*:1]
CN(CCC#N)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN(CCC#N)CC(=O)N[C@@H](c1ccccc1)[*:1]
CCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C(C)=O)CC2 CCO[*:1] CC(=O)N1CCc2ccc(cc2C1)NS(=O)(=O)c1ccccc1[*:1]
O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 Clc1ccc(cc1Cl)[*:1] O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC(CC1)C(=O)[*:1]
CCC[C@@H](C#N)NC(=O)c1cccc(OCc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] CCC[C@@H](C#N)NC(=O)c1cccc(c1)OC[*:1]
CCC[C@@H](C#N)NC(=O)c1cccc(OCc2cccc(C)c2)c1 CCC[*:1] Cc1cccc(c1)COc1cccc(c1)C(=O)N[C@H](C#N)[*:1]
CCC[C@@H](C#N)NC(=O)c1cccc(OCc2cccc(C)c2)c1 Cc1cccc(c1)C[*:1] CCC[C@@H](C#N)NC(=O)c1cccc(c1)O[*:1]
Cc1cccn2c(=O)c(C(=O)N3CC[C@H](c4ccccc4)[C@H]3C)cnc12 c1ccc(cc1)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N1CC[C@H]([C@H]1C)[*:1]
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)N(C(C)C)S(C)(=O)=O CC(C)[*:1] CC(C)N(S(C)(=O)=O)[*:1]
COc1cc(NC(=O)OCCO)ccc1NC(C)=O OCC[*:1] COc1cc(ccc1NC(C)=O)NC(=O)O[*:1]
COc1cc(NC(=O)OCCO)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)OCCO
COc1cccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4ccccc4)cc32)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)c1ccc2cnn(C[*:1])c2c1)c1ccccc1
COc1cccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4ccccc4)cc32)c1 COc1cccc(c1)C[*:1] C[C@H](NC(=O)c1ccc2cnn(c2c1)[*:1])c1ccccc1
COc1cccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4ccccc4)cc32)c1 c1ccc(cc1)[*:1] COc1cccc(c1)Cn1ncc2ccc(cc21)C(=O)N[C@@H](C)[*:1]
COc1cccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4ccccc4)cc32)c1 C[C@@H](c1ccccc1)[*:1] COc1cccc(c1)Cn1ncc2ccc(cc21)C(=O)N[*:1]
O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4C(c5ccc([N+](=O)[O-])cc5)=NO[C@@H]34)[C@H]2C(=O)N1c1ccc2ccccc2c1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4C(=NO[C@@H]34)[*:1])[C@H]2C(=O)N1c1ccc2ccccc2c1
O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4C(c5ccc([N+](=O)[O-])cc5)=NO[C@@H]34)[C@H]2C(=O)N1c1ccc2ccccc2c1 O=[N+]([O-])[*:1] O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4C(=NO[C@@H]34)c3ccc(cc3)[*:1])[C@H]2C(=O)N1c1ccc2ccccc2c1
O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4C(c5ccc([N+](=O)[O-])cc5)=NO[C@@H]34)[C@H]2C(=O)N1c1ccc2ccccc2c1 c1ccc2cc(ccc2c1)[*:1] O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4C(=NO[C@@H]34)c3ccc(cc3)[N+](=O)[O-])[C@H]2C(=O)N1[*:1]
COc1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)nn1 O=[N+]([O-])[*:1] COc1ccc(nn1)C(=O)N1CCc2cc(ccc21)[*:1]
Cc1ccccc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N Cc1ccccc1[*:1] N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)N[*:1]
Cc1ccccc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N N#Cc1ccccc1S[*:1] Cc1ccccc1NC(=O)COC(=O)c1ccccc1[*:1]
Cc1ccccc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N N#Cc1ccccc1[*:1] Cc1ccccc1NC(=O)COC(=O)c1ccccc1S[*:1]
Cc1noc(-c2ccccc2N[C@H]2CC[C@H]([NH3+])C2)n1 Cc1noc(n1)[*:1] [NH3+][C@H]1CC[C@@H](C1)Nc1ccccc1[*:1]
[NH3+][C@H]1CCCCC[C@H]1c1nc(CCC(F)(F)F)no1 FC(F)(F)[*:1] [NH3+][C@H]1CCCCC[C@H]1c1nc(CC[*:1])no1
[NH3+][C@H]1CCCCC[C@H]1c1nc(CCC(F)(F)F)no1 FC(F)(F)CC[*:1] [NH3+][C@H]1CCCCC[C@H]1c1nc(no1)[*:1]
[NH3+][C@H]1CCCCC[C@H]1c1nc(CCC(F)(F)F)no1 FC(F)(F)C[*:1] [NH3+][C@H]1CCCCC[C@H]1c1nc(C[*:1])no1
COCc1nn2c(-c3ccsc3)ccnc2c1-c1ccc(Br)cc1 COC[*:1] Brc1ccc(cc1)-c1c(nn2c(ccnc12)-c1ccsc1)[*:1]
COCc1nn2c(-c3ccsc3)ccnc2c1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COCc1nn2c(ccnc2c1[*:1])-c1ccsc1
COCc1nn2c(-c3ccsc3)ccnc2c1-c1ccc(Br)cc1 c1cc(cs1)[*:1] COCc1nn2c(ccnc2c1-c1ccc(Br)cc1)[*:1]
COCCC1(NC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CCCC1 COC[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)NC2(CCCC2)C[*:1])c1=O
COCCC1(NC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CCCC1 Cn1cnn(c1=O)[*:1] COCCC1(CCCC1)NC(=O)Nc1ccc(cc1)[*:1]
COCCC1(NC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CCCC1 COCC[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)NC2(CCCC2)[*:1])c1=O
CCC(=O)N1c2ccc(C)cc2-c2nnc(SC)nc2O[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCC(=O)N1c2ccc(C)cc2-c2nnc(nc2O[C@@H]1[*:1])SC
CCCCN1C(=O)C[C@H](c2ccc(OC)c(OC)c2)NC1=O CCCC[*:1] COc1ccc(cc1OC)[C@H]1CC(=O)N(C(=O)N1)[*:1]
CCCCN1C(=O)C[C@H](c2ccc(OC)c(OC)c2)NC1=O CCC[*:1] COc1ccc(cc1OC)[C@H]1CC(=O)N(C[*:1])C(=O)N1
O=C(/C=N/OCc1ccccc1)Nc1ccc(F)cc1F c1ccc(cc1)C[*:1] O=C(/C=N/O[*:1])Nc1ccc(F)cc1F
O=C(/C=N/OCc1ccccc1)Nc1ccc(F)cc1F c1ccc(cc1)[*:1] O=C(/C=N/OC[*:1])Nc1ccc(F)cc1F
COc1cccc(N2CC[NH+]([C@H](C)c3nc(C(C)(C)C)no3)CC2)c1 COc1cccc(c1)[*:1] C[C@H](c1nc(no1)C(C)(C)C)[NH+]1CCN(CC1)[*:1]
COc1cccc(N2CC[NH+]([C@H](C)c3nc(C(C)(C)C)no3)CC2)c1 CC(C)(C)[*:1] COc1cccc(c1)N1CC[NH+](CC1)[C@H](C)c1nc(no1)[*:1]
Cc1csc(C(C)(C)NC(=O)Nc2ccc(F)cc2OCC2CC2)n1 C1CC1[*:1] Cc1csc(n1)C(C)(C)NC(=O)Nc1ccc(F)cc1OC[*:1]
Cc1csc(C(C)(C)NC(=O)Nc2ccc(F)cc2OCC2CC2)n1 Cc1csc(n1)[*:1] CC(C)(NC(=O)Nc1ccc(F)cc1OCC1CC1)[*:1]
Cc1csc(C(C)(C)NC(=O)Nc2ccc(F)cc2OCC2CC2)n1 C1CC1CO[*:1] Cc1csc(n1)C(C)(C)NC(=O)Nc1ccc(F)cc1[*:1]
Cc1csc(C(C)(C)NC(=O)Nc2ccc(F)cc2OCC2CC2)n1 C1CC1C[*:1] Cc1csc(n1)C(C)(C)NC(=O)Nc1ccc(F)cc1O[*:1]
COc1cccc([C@@H](C)CC(=O)OCc2cccnc2)c1 c1cncc(c1)C[*:1] COc1cccc(c1)[C@@H](C)CC(=O)O[*:1]
COc1cccc([C@@H](C)CC(=O)OCc2cccnc2)c1 c1cncc(c1)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)OC[*:1]
CC[C@@H]1CN(C(=O)c2cc(F)ccc2OC)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CCC(=O)N1C[*:1])C(=O)c1cc(F)ccc1OC
CC[C@@H]1CN(C(=O)c2cc(F)ccc2OC)CCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] CC[C@@H]1CN(CCC(=O)N1[*:1])C(=O)c1cc(F)ccc1OC
CC[C@@H]1CN(C(=O)c2cc(F)ccc2OC)CCC(=O)N1Cc1ccccc1 COc1ccc(F)cc1[*:1] CC[C@@H]1CN(CCC(=O)N1Cc1ccccc1)C(=O)[*:1]
O=C(CSc1nc2ccccc2[nH]1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] O=C(CSc1nc2ccccc2[nH]1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
O=C(CSc1nc2ccccc2[nH]1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 c1ccc2[nH]c(nc2c1)[*:1] O=C(CS[*:1])N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1
O=C(CSc1nc2ccccc2[nH]1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 c1coc(c1)C[*:1] O=C(CSc1nc2ccccc2[nH]1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1ccccn1 c1ccc(nc1)[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CO[*:1]
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COc1ccccn1 c1ccc(nc1)O[*:1] C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[*:1]
C[C@]1(C(=O)NCc2ccccc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccc(Cl)cc1 c1csc(c1)[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1Cc1ccc(Cl)cc1)[*:1])C(=O)NCc1ccccc1
C[C@]1(C(=O)NCc2ccccc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccc(Cl)cc1 c1ccc(cc1)C[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1Cc1ccc(Cl)cc1)-c1cccs1)C(=O)N[*:1]
C[C@]1(C(=O)NCc2ccccc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1Cc1ccc(Cl)cc1)-c1cccs1)C(=O)NC[*:1]
C[C@]1(C(=O)NCc2ccccc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1C[*:1])-c1cccs1)C(=O)NCc1ccccc1
C[C@]1(C(=O)NCc2ccccc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1[*:1])-c1cccs1)C(=O)NCc1ccccc1
C[C@]1(C(=O)NCc2ccccc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccc(Cl)cc1 O=C(NCc1ccccc1)[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1Cc1ccc(Cl)cc1)-c1cccs1)[*:1]
CCn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)N1CCc2ccccc2C1 Fc1ccc(cc1)C[*:1] CCn1cc2c(n1)c(=O)n(c(=O)n2CC(=O)N1CCc2ccccc2C1)[*:1]
CCn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)N1CCc2ccccc2C1 Fc1ccc(cc1)[*:1] CCn1cc2c(n1)c(=O)n(C[*:1])c(=O)n2CC(=O)N1CCc2ccccc2C1
Cc1cc(C)cc(OCC(=O)OCc2ncc(-c3ccccc3)o2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)OCC(=O)OCc1ncc(o1)[*:1]
Cc1cc(C)cc(OCC(=O)OCc2ncc(-c3ccccc3)o2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CO[*:1])OCc1ncc(o1)-c1ccccc1
CCOc1ccc2cc([C@H]3CC(c4ccco4)=NN3C(C)=O)c(=O)[nH]c2c1 CCO[*:1] CC(=O)N1N=C(C[C@@H]1c1cc2ccc(cc2[nH]c1=O)[*:1])c1ccco1
CCOc1ccc2cc([C@H]3CC(c4ccco4)=NN3C(C)=O)c(=O)[nH]c2c1 c1coc(c1)[*:1] CCOc1ccc2cc(c(=O)[nH]c2c1)[C@H]1CC(=NN1C(C)=O)[*:1]
Cc1noc(C)c1CCC(=O)O[C@@H](C)c1ccc2c(c1)OCCO2 Cc1noc(C)c1[*:1] C[C@H](OC(=O)CC[*:1])c1ccc2OCCOc2c1
Cc1noc(C)c1CCC(=O)O[C@@H](C)c1ccc2c(c1)OCCO2 Cc1noc(C)c1C[*:1] C[C@H](OC(=O)C[*:1])c1ccc2OCCOc2c1
CCOC(=O)c1cnn2c1N[C@H]([C@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)C[C@@H]2C(F)(F)F C1CO[C@@H](C1)[*:1] CCOC(=O)c1cnn2c1N[C@@H](C[C@@H]2C(F)(F)F)[C@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn2c1N[C@H]([C@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)C[C@@H]2C(F)(F)F FC(F)(F)[*:1] CCOC(=O)c1cnn2c1N[C@@H](C[C@H]2[*:1])[C@H]1CCCN(C1)C(=O)[C@@H]1CCCO1
CCOC(=O)c1cnn2c1N[C@H]([C@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)C[C@@H]2C(F)(F)F CCOC(=O)[*:1] O=C([C@@H]1CCCO1)N1CCC[C@@H](C1)[C@@H]1C[C@@H](n2ncc(c2N1)[*:1])C(F)(F)F
C=CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nccs2)c1 c1csc(n1)[*:1] C=CCOc1cccc(c1)[C@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1[*:1]
C=CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nccs2)c1 C=CCO[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(c1)[*:1]
C=CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nccs2)c1 C=CCOc1cccc(c1)[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@H]1[*:1]
C=CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nccs2)c1 Cc1nc(C)c(s1)C(=O)[*:1] C=CCOc1cccc(c1)[C@H]1C(=C([O-])C(=O)N1c1nccs1)[*:1]
C=CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nccs2)c1 Cc1nc(C)c(s1)[*:1] C=CCOc1cccc(c1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nccs1
C=CCOc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nccs2)c1 C=CC[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(c1)O[*:1]
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(c3)OC(C)=O)c(=O)n2[C@@H]1[*:1]
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccccc1 CC(=O)O[*:1] COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(c3)[*:1])c(=O)n2[C@H]1c1ccccc1
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccccc1 CC(=O)Oc1cccc(c1)[*:1] COC(=O)C1=C(C)N=c2sc(=C[*:1])c(=O)n2[C@H]1c1ccccc1
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccccc1 COC(=O)[*:1] CC(=O)Oc1cccc(/C=c2\sc3=NC(C)=C([C@H](c4ccccc4)n3c2=O)[*:1])c1
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc2OCCOc2c1)[*:1]
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C)cc1 c1cc2OCCOc2cc1[*:1] COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[*:1])c1ccc(C)cc1
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C)cc1 COc1ccc(C)cc1[*:1] Cc1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)[*:1]
Cc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)c1O CC(C)[*:1] Cc1cccc(C(=O)N2CCC[C@H](C2)c2[nH+]ccn2[*:1])c1O
Cc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)c1O Cc1cccc(c1O)[*:1] CC(C)n1cc[nH+]c1[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(CN1C(=O)C=C(c2ccc(Cl)cc2)Nc2ccccc21)Nc1cccc(F)c1 O=C(Nc1cccc(F)c1)[*:1] O=C1C=C(Nc2ccccc2N1C[*:1])c1ccc(Cl)cc1
O=C(CN1C(=O)C=C(c2ccc(Cl)cc2)Nc2ccccc21)Nc1cccc(F)c1 Clc1ccc(cc1)[*:1] O=C(CN1C(=O)C=C(Nc2ccccc21)[*:1])Nc1cccc(F)c1
O=C(CN1C(=O)C=C(c2ccc(Cl)cc2)Nc2ccccc21)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CN1C(=O)C=C(Nc2ccccc21)c1ccc(Cl)cc1)N[*:1]
Cc1cc(C)n([C@H](C)C(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 c1ccc(cc1)CC[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)NCc1[nH+]ccn1[*:1]
Cc1cc(C)n([C@H](C)C(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](C(=O)NCc1[nH+]ccn1CCc1ccccc1)[*:1]
Cc1cc(C)n([C@H](C)C(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)NCc1[nH+]ccn1CC[*:1]
Cc1cc(C)n([C@H](C)C(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(C)n(n1)[C@H](C)C(=O)NCc1[nH+]ccn1C[*:1]
Cc1ccccc1[C@H](O)CNC(=O)c1cc2cccc(Cl)c2o1 Cc1ccccc1[*:1] O=C(NC[C@@H](O)[*:1])c1cc2cccc(Cl)c2o1
CN(CC#N)CC(=O)N1CCNC(=O)C1 CN(CC#N)[*:1] O=C1CN(CCN1)C(=O)C[*:1]
CN(CC#N)CC(=O)N1CCNC(=O)C1 N#CC[*:1] CN(CC(=O)N1CCNC(=O)C1)[*:1]
[NH3+]CCc1ccc(-c2nc3ccc(Cl)cc3s2)cc1 [NH3+]CC[*:1] Clc1ccc2nc(sc2c1)-c1ccc(cc1)[*:1]
COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(C)c1 O=C([O-])[*:1] COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2[*:1])c(C)c1
Cc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(Br)cc3)ccc12 Brc1ccc(cc1)[*:1] Cc1cc(=O)oc2c(C)c(ccc12)OCC(=O)[*:1]
COc1cccc(CC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1 NC(=O)[*:1] COc1cccc(c1)CC(=O)N1CC[C@@H](c2ccccc21)[*:1]
COc1cccc(CC(=O)N2CC[C@@H](C(N)=O)c3ccccc32)c1 COc1cccc(c1)[*:1] NC(=O)[C@@H]1CCN(C(=O)C[*:1])c2ccccc21
Cc1ccc(-n2c(SCC(=O)NC(C)C)nc3ccccc32)cc1 CC(C)NC(=O)CS[*:1] Cc1ccc(cc1)-n1c(nc2ccccc21)[*:1]
Cc1ccc(-n2c(SCC(=O)NC(C)C)nc3ccccc32)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1c(nc2ccccc21)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)NC(C)C)nc3ccccc32)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)-n1c(nc2ccccc21)SC[*:1]
Cc1ccc(-n2c(SCC(=O)NC(C)C)nc3ccccc32)cc1 Cc1ccc(cc1)[*:1] CC(C)NC(=O)CSc1nc2ccccc2n1[*:1]
Cc1ccc(-n2c(SCC(=O)NC(C)C)nc3ccccc32)cc1 CC(C)NC(=O)C[*:1] Cc1ccc(cc1)-n1c(nc2ccccc21)S[*:1]
CC(C)(NC(=O)CSCc1cccnc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)(NC(=O)CSCc1cccnc1)c1ccc(cc1)[*:1]
CC(C)(NC(=O)CSCc1cccnc1)c1ccc([N+](=O)[O-])cc1 c1cncc(c1)C[*:1] CC(C)(NC(=O)CS[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)(NC(=O)CSCc1cccnc1)c1ccc([N+](=O)[O-])cc1 c1cncc(c1)CS[*:1] CC(C)(NC(=O)C[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(C)(NC(=O)CSCc1cccnc1)c1ccc([N+](=O)[O-])cc1 c1cncc(c1)[*:1] CC(C)(NC(=O)CSC[*:1])c1ccc(cc1)[N+](=O)[O-]
COc1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1OC Clc1ccccc1[*:1] COc1ccc(cc1OC)C(=O)N(C)C[*:1]
COc1ccc(CCNc2nc(-c3ccc(Br)cc3)cs2)cc1OC Brc1ccc(cc1)[*:1] COc1ccc(cc1OC)CCNc1nc(cs1)[*:1]
O=C([C@@H]1CN(C(=O)Cc2cccs2)c2ccccc2O1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(Cc1cccs1)N1C[C@H](Oc2ccccc21)[*:1]
O=C([C@@H]1CN(C(=O)Cc2cccs2)c2ccccc2O1)N1CCCCC1 c1csc(c1)C[*:1] O=C([C@@H]1CN(C(=O)[*:1])c2ccccc2O1)N1CCCCC1
O=C([C@@H]1CN(C(=O)Cc2cccs2)c2ccccc2O1)N1CCCCC1 c1csc(c1)[*:1] O=C([C@@H]1CN(C(=O)C[*:1])c2ccccc2O1)N1CCCCC1
Cc1ccc(N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)nn1 O=C([O-])[*:1] Cc1ccc(nn1)N1CCC[C@H](C1)Cn1cc(nn1)[*:1]
Cc1ccc(N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)nn1 Cc1ccc(nn1)[*:1] O=C([O-])c1cn(C[C@@H]2CCCN(C2)[*:1])nn1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 Cc1nn(C)c(C)c1[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccncc2)N1CCCN1CCOCC1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 C1CN(CCO1)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCC[*:1])[C@@H]1c1ccncc1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 C(CN1CCOCC1)C[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccncc1)[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 Cc1nn(C)c(C)c1C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccncc2)N1CCCN1CCOCC1)[*:1]
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 C1CN(CCO1)CC[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccncc1
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccncc1 C1CN(CCO1)C[*:1] Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccncc1
CCc1ccc(S(=O)(=O)CC(=O)[O-])cc1 O=C([O-])C[*:1] CCc1ccc(cc1)S(=O)(=O)[*:1]
CCc1ccc(S(=O)(=O)CC(=O)[O-])cc1 O=C([O-])[*:1] CCc1ccc(cc1)S(=O)(=O)C[*:1]
CC[NH+](Cc1cc(F)cc(C#CCCO)c1)CC1CC1 C1CC1C[*:1] CC[NH+](Cc1cc(F)cc(C#CCCO)c1)[*:1]
CC[NH+](Cc1cc(F)cc(C#CCCO)c1)CC1CC1 C1CC1[*:1] CC[NH+](Cc1cc(F)cc(C#CCCO)c1)C[*:1]
CC[NH+](Cc1cc(F)cc(C#CCCO)c1)CC1CC1 OCC[*:1] CC[NH+](Cc1cc(F)cc(C#C[*:1])c1)CC1CC1
CC[NH+](Cc1cc(F)cc(C#CCCO)c1)CC1CC1 OCCC#C[*:1] CC[NH+](Cc1cc(F)cc(c1)[*:1])CC1CC1
CC(=O)Nc1ccc(Nc2ncnc(Nc3cccc(Cl)c3)c2[N+](=O)[O-])cc1 CC(=O)N[*:1] O=[N+]([O-])c1c(ncnc1Nc1cccc(Cl)c1)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(Nc2ncnc(Nc3cccc(Cl)c3)c2[N+](=O)[O-])cc1 Clc1cccc(c1)N[*:1] CC(=O)Nc1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
CC(=O)Nc1ccc(Nc2ncnc(Nc3cccc(Cl)c3)c2[N+](=O)[O-])cc1 Clc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
CC(=O)Nc1ccc(Nc2ncnc(Nc3cccc(Cl)c3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)Nc1ncnc(Nc2cccc(Cl)c2)c1[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 CC[C@@H](C)[*:1] Cc1cc(cc(C)c1Cl)O[C@H](C)C(=O)N[*:1]
C[C@@H]([NH2+]CCOc1ccccc1F)C(=O)N[C@@H]1CCCc2ccccc21 Fc1ccccc1[*:1] C[C@@H]([NH2+]CCO[*:1])C(=O)N[C@@H]1CCCc2ccccc21
C[C@@H]([NH2+]CCOc1ccccc1F)C(=O)N[C@@H]1CCCc2ccccc21 Fc1ccccc1O[*:1] C[C@@H]([NH2+]CC[*:1])C(=O)N[C@@H]1CCCc2ccccc21
Cc1nc(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cs1 Cc1nc(cs1)[*:1] O=S(=O)(NC[*:1])c1ccc(F)c(c1)C(F)(F)F
Cc1nc(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cs1 Cc1nc(cs1)C[*:1] O=S(=O)(N[*:1])c1ccc(F)c(c1)C(F)(F)F
Cc1nc(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cs1 FC(F)(F)[*:1] Cc1nc(cs1)CNS(=O)(=O)c1ccc(F)c(c1)[*:1]
C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H](C)Cn1ncc2ccccc2c1=O O=C(N1CCOCC1)[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)Cn1ncc2ccccc2c1=O
O=C(NCCc1c[nH]c2ccccc12)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])C1CCN(CC1)c1[nH]c2ccccc2[nH+]1
CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 COC(=O)[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
N#C/C(=C/c1ccc(-n2cccn2)cc1)c1nc(-c2ccncc2)cs1 c1cc(ccn1)[*:1] N#C/C(=C/c1ccc(cc1)-n1cccn1)c1nc(cs1)[*:1]
N#C/C(=C/c1ccc(-n2cccn2)cc1)c1nc(-c2ccncc2)cs1 c1cnn(c1)[*:1] N#C/C(=C/c1ccc(cc1)[*:1])c1nc(cs1)-c1ccncc1
COc1ccccc1CNc1ccccc1OCC(C)C CC(C)[*:1] COc1ccccc1CNc1ccccc1OC[*:1]
COc1ccccc1CNc1ccccc1OCC(C)C CC(C)CO[*:1] COc1ccccc1CNc1ccccc1[*:1]
COc1ccccc1CNc1ccccc1OCC(C)C CC(C)C[*:1] COc1ccccc1CNc1ccccc1O[*:1]
Cn1c(=O)[nH]c(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1=O O=[N+]([O-])[*:1] Cn1c(=O)[nH]c(NCCC[NH+]2CCOCC2)c(c1=O)[*:1]
COc1ccccc1OC1CN(C(=O)c2ccc(NC(C)=O)cc2)C1 COc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)C(=O)N1CC(C1)O[*:1]
COc1ccccc1OC1CN(C(=O)c2ccc(NC(C)=O)cc2)C1 CC(=O)N[*:1] COc1ccccc1OC1CN(C1)C(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(OCc2cn3c(C)cccc3n2)cc1 CC(=O)[*:1] Cc1cccc2nc(cn12)COc1ccc(cc1)[*:1]
CCCCOc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(F)c(C)c2)cc1 CCCCO[*:1] Cc1cc(ccc1F)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)c1ccc(cc1)[*:1]
CCCCOc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(F)c(C)c2)cc1 CCCC[*:1] Cc1cc(ccc1F)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)c1ccc(cc1)O[*:1]
CCCCOc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(F)c(C)c2)cc1 CCCCOc1ccc(cc1)[*:1] Cc1cc(ccc1F)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)[*:1]
CCCCOc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(F)c(C)c2)cc1 Cc1cc(ccc1F)[*:1] CCCCOc1ccc(cc1)C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
CCCCOc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(F)c(C)c2)cc1 CCC[*:1] Cc1cc(ccc1F)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)c1ccc(cc1)OC[*:1]
COC(=O)[C@H]1CC(=O)NN(C(=O)Nc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] COC(=O)[C@H]1CC(=O)NN(C1)C(=O)N[*:1]
COC(=O)[C@H]1CC(=O)NN(C(=O)Nc2ccc(Cl)cc2)C1 COC(=O)[*:1] O=C1C[C@@H](CN(N1)C(=O)Nc1ccc(Cl)cc1)[*:1]
O=C(CSc1nc(Cc2cccs2)n[nH]1)c1c[nH]c(C(=O)N2CCCC2)c1 c1csc(c1)C[*:1] O=C(CSc1nc(n[nH]1)[*:1])c1c[nH]c(c1)C(=O)N1CCCC1
O=C(CSc1nc(Cc2cccs2)n[nH]1)c1c[nH]c(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] O=C(CSc1nc(Cc2cccs2)n[nH]1)c1c[nH]c(c1)[*:1]
O=C(CSc1nc(Cc2cccs2)n[nH]1)c1c[nH]c(C(=O)N2CCCC2)c1 c1csc(c1)[*:1] O=C(CSc1nc(C[*:1])n[nH]1)c1c[nH]c(c1)C(=O)N1CCCC1
Cn1c(SCC(=O)N2CCN(Cc3cccs3)CC2)nc2sc(-c3ccccc3)cc2c1=O c1ccc(cc1)[*:1] Cn1c(nc2sc(cc2c1=O)[*:1])SCC(=O)N1CCN(CC1)Cc1cccs1
Cn1c(SCC(=O)N2CCN(Cc3cccs3)CC2)nc2sc(-c3ccccc3)cc2c1=O c1csc(c1)C[*:1] Cn1c(nc2sc(cc2c1=O)-c1ccccc1)SCC(=O)N1CCN(CC1)[*:1]
Cn1c(SCC(=O)N2CCN(Cc3cccs3)CC2)nc2sc(-c3ccccc3)cc2c1=O c1csc(c1)[*:1] Cn1c(nc2sc(cc2c1=O)-c1ccccc1)SCC(=O)N1CCN(CC1)C[*:1]
Cc1oncc1C(=O)N1CCC(OCCC[NH3+])CC1 Cc1oncc1[*:1] [NH3+]CCCOC1CCN(CC1)C(=O)[*:1]
Cc1oncc1C(=O)N1CCC(OCCC[NH3+])CC1 [NH3+]CCCO[*:1] Cc1oncc1C(=O)N1CCC(CC1)[*:1]
Cc1oncc1C(=O)N1CCC(OCCC[NH3+])CC1 [NH3+]CC[*:1] Cc1oncc1C(=O)N1CCC(CC1)OC[*:1]
Cc1oncc1C(=O)N1CCC(OCCC[NH3+])CC1 [NH3+]CCC[*:1] Cc1oncc1C(=O)N1CCC(CC1)O[*:1]
Cc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Br)c1 Cc1ccc(c(Br)c1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1cccc(Cl)c1
Cc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Br)c1 Clc1cccc(c1)[*:1] Cc1ccc(OCC(=O)N2CCN(CC2)[*:1])c(Br)c1
COc1ccc(F)c(N[C@]2(C[NH3+])CCC[C@@H]2S(C)(=O)=O)c1 CS(=O)(=O)[*:1] COc1ccc(F)c(c1)N[C@]1(C[NH3+])CCC[C@H]1[*:1]
CCN1CCO[C@@H](Cn2nnc(C(=O)[O-])c2C2CC2)C1 O=C([O-])[*:1] CCN1CCO[C@H](C1)Cn1nnc(c1C1CC1)[*:1]
CCN1CCO[C@@H](Cn2nnc(C(=O)[O-])c2C2CC2)C1 C1CC1[*:1] CCN1CCO[C@H](C1)Cn1nnc(C(=O)[O-])c1[*:1]
CC[C@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1[*:1]
CC[C@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 CC[C@H](C)NC(=O)[*:1] Clc1ccc(cc1)-n1c(nnc1-c1ccccn1)SC[*:1]
CC[C@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 c1ccc(nc1)[*:1] CC[C@H](C)NC(=O)CSc1nnc(n1-c1ccc(Cl)cc1)[*:1]
CC[C@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 CC[C@H](C)NC(=O)CS[*:1] Clc1ccc(cc1)-n1c(nnc1[*:1])-c1ccccn1
CCN(CC)C(=O)c1ccccc1NC(=O)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CCN(CC)C(=O)c1ccccc1NC(=O)[*:1]
C=C(C)COc1cccc([C@]2(C)Nc3ccccc3C(=O)N2CCC)c1 C=C(C)C[*:1] CCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(c1)O[*:1]
C=C(C)COc1cccc([C@]2(C)Nc3ccccc3C(=O)N2CCC)c1 CCC[*:1] C=C(C)COc1cccc(c1)[C@]1(C)Nc2ccccc2C(=O)N1[*:1]
C=C(C)COc1cccc([C@]2(C)Nc3ccccc3C(=O)N2CCC)c1 C=C(C)CO[*:1] CCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(c1)[*:1]
C=C(C)COc1cccc([C@]2(C)Nc3ccccc3C(=O)N2CCC)c1 C=C(C)[*:1] CCCN1C(=O)c2ccccc2N[C@@]1(C)c1cccc(c1)OC[*:1]
COCCCNC(=S)Nc1cccc(C)c1C COC[*:1] Cc1cccc(NC(=S)NCC[*:1])c1C
COCCCNC(=S)Nc1cccc(C)c1C COCC[*:1] Cc1cccc(NC(=S)NC[*:1])c1C
COCCCNC(=S)Nc1cccc(C)c1C COCCC[*:1] Cc1cccc(NC(=S)N[*:1])c1C
Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)NC(=O)C(=O)N[C@@H]1C[C@@H]1[*:1]
Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 Cc1cccc(c1)[*:1] O=C(N[C@@H]1C[C@H]1C1CCCCC1)C(=O)N[*:1]
Cc1ccc(-c2ccc(C(=O)OCc3nncn3C3CC3)c(F)c2)cc1 Cc1ccc(cc1)[*:1] O=C(OCc1nncn1C1CC1)c1ccc(cc1F)[*:1]
Cc1ccc(-c2ccc(C(=O)OCc3nncn3C3CC3)c(F)c2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1ccc(C(=O)OCc2nncn2[*:1])c(F)c1
Cc1ccc(-c2ccc(C(=O)OCc3nncn3C3CC3)c(F)c2)cc1 c1nnc(n1C1CC1)[*:1] Cc1ccc(cc1)-c1ccc(C(=O)OC[*:1])c(F)c1
CC(C)[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 CC(C)[*:1] O=C(c1ccc(F)cc1)N1CCC[NH+](CC1)[*:1]
Cc1ccc2cccc(C(=O)N3CCOC[C@H]3C(N)=O)c2n1 NC(=O)[*:1] Cc1ccc2cccc(C(=O)N3CCOC[C@@H]3[*:1])c2n1
C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc2cccnc12 c1ccc(cc1)[*:1] C[C@H](C[C@H](O)[*:1])NC(=O)c1cccc2cccnc12
C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc2cccnc12 O[C@H](c1ccccc1)[*:1] C[C@H](C[*:1])NC(=O)c1cccc2cccnc12
O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc[nH]n1 O=C(Nc1cc[nH]n1)[*:1] O=[N+]([O-])c1cc(ccc1NCC[*:1])C(F)(F)F
O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc[nH]n1 O=[N+]([O-])[*:1] O=C(CCNc1ccc(cc1[*:1])C(F)(F)F)Nc1cc[nH]n1
O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc[nH]n1 c1cc(n[nH]1)[*:1] O=C(CCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F)N[*:1]
O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc[nH]n1 FC(F)(F)[*:1] O=C(CCNc1ccc(cc1[N+](=O)[O-])[*:1])Nc1cc[nH]n1
CCCCCC[C@@H](C)C(=O)N1CC[C@H](O)C1 CCC[*:1] C[C@H](CCC[*:1])C(=O)N1CC[C@H](O)C1
CCCCCC[C@@H](C)C(=O)N1CC[C@H](O)C1 CCCC[*:1] C[C@H](CC[*:1])C(=O)N1CC[C@H](O)C1
CCCCCC[C@@H](C)C(=O)N1CC[C@H](O)C1 CCCCC[*:1] C[C@H](C[*:1])C(=O)N1CC[C@H](O)C1
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(N2CCOCC2)cc1 C1CN(CCO1)[*:1] CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(cc1)[*:1]
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(N2CCOCC2)cc1 CCOC(=O)[*:1] CC1OC(N)=C(C#N)[C@H](C=1[*:1])c1ccc(cc1)N1CCOCC1
Cc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccccc2OCC(=O)[O-])cc1 Cc1ccc(cc1)[*:1] O=C([O-])COc1ccccc1/C=N\n1c(n[nH]c1=S)[*:1]
Cc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccccc2OCC(=O)[O-])cc1 O=C([O-])CO[*:1] Cc1ccc(cc1)-c1n[nH]c(=S)n1/N=C\c1ccccc1[*:1]
Cc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccccc2OCC(=O)[O-])cc1 O=C([O-])C[*:1] Cc1ccc(cc1)-c1n[nH]c(=S)n1/N=C\c1ccccc1O[*:1]
Cc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccccc2OCC(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)-c1n[nH]c(=S)n1/N=C\c1ccccc1OC[*:1]
COCCCn1cc(C)c(I)n1 COCC[*:1] Cc1cn(C[*:1])nc1I
COCCCn1cc(C)c(I)n1 COC[*:1] Cc1cn(CC[*:1])nc1I
Cc1ccc(N2C[C@H](C(=O)N[C@H](C)c3cnn(C)c3)CCC2=O)cc1C C[C@H](c1cnn(C)c1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)N[C@H](C)c3cnn(C)c3)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)[C@@H]1CCC(=O)N(C1)[*:1])c1cnn(C)c1
Cc1ccc(N2C[C@H](C(=O)N[C@H](C)c3cnn(C)c3)CCC2=O)cc1C Cn1cc(cn1)[*:1] Cc1ccc(cc1C)N1C[C@@H](CCC1=O)C(=O)N[C@H](C)[*:1]
CN(C(=O)CSc1nnc(-c2ccco2)n1C)c1ccccc1 c1coc(c1)[*:1] CN(C(=O)CSc1nnc(n1C)[*:1])c1ccccc1
CN(C(=O)CSc1nnc(-c2ccco2)n1C)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CSc1nnc(-c2ccco2)n1C)[*:1]
Cn1cc(CCSCc2ccn(-c3ccccc3)n2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)CCSCc1ccn(n1)[*:1]
Cn1cc(CCSCc2ccn(-c3ccccc3)n2)cn1 Cn1cc(cn1)C[*:1] c1ccc(cc1)-n1ccc(CSC[*:1])n1
Cn1cc(CCSCc2ccn(-c3ccccc3)n2)cn1 Cn1cc(cn1)[*:1] c1ccc(cc1)-n1ccc(CSCC[*:1])n1
CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 Clc1cc(Cl)cc(c1)[*:1] CC[NH+](CC)C[C@@H]1CCN(C1)C(=O)[C@@H]1C[C@H]1[*:1]
CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCN(C)[C@H]1[*:1]
CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 CCN(CC)C(=O)C[*:1] C[C@@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)[*:1]
CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 CCN(CC)C(=O)[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1
CN(CCCS(C)(=O)=O)C(=O)C[C@@H]1CCCc2ccccc21 CS(=O)(=O)C[*:1] CN(CC[*:1])C(=O)C[C@@H]1CCCc2ccccc21
CN(CCCS(C)(=O)=O)C(=O)C[C@@H]1CCCc2ccccc21 CS(=O)(=O)CCC[*:1] CN(C(=O)C[C@@H]1CCCc2ccccc21)[*:1]
CN(CCCS(C)(=O)=O)C(=O)C[C@@H]1CCCc2ccccc21 CS(=O)(=O)CC[*:1] CN(C[*:1])C(=O)C[C@@H]1CCCc2ccccc21
CN(CCCS(C)(=O)=O)C(=O)C[C@@H]1CCCc2ccccc21 CS(=O)(=O)[*:1] CN(CCC[*:1])C(=O)C[C@@H]1CCCc2ccccc21
CCn1c(=O)n(CC(=O)c2ccccc2F)c2c(C(N)=O)nc(-c3cccs3)nc21 Fc1ccccc1[*:1] CCn1c(=O)n(CC(=O)[*:1])c2c(nc(nc21)-c1cccs1)C(N)=O
CCn1c(=O)n(CC(=O)c2ccccc2F)c2c(C(N)=O)nc(-c3cccs3)nc21 O=C(c1ccccc1F)[*:1] CCn1c(=O)n(C[*:1])c2c(nc(nc21)-c1cccs1)C(N)=O
CCn1c(=O)n(CC(=O)c2ccccc2F)c2c(C(N)=O)nc(-c3cccs3)nc21 NC(=O)[*:1] CCn1c(=O)n(CC(=O)c2ccccc2F)c2c(nc(nc21)-c1cccs1)[*:1]
CCn1c(=O)n(CC(=O)c2ccccc2F)c2c(C(N)=O)nc(-c3cccs3)nc21 c1csc(c1)[*:1] CCn1c(=O)n(CC(=O)c2ccccc2F)c2c(nc(nc21)[*:1])C(N)=O
CCn1c(=O)n(CC(=O)c2ccccc2F)c2c(C(N)=O)nc(-c3cccs3)nc21 O=C(C[*:1])c1ccccc1F CCn1c(=O)n(c2c(nc(nc21)-c1cccs1)C(N)=O)[*:1]
Cc1ccccc1OCCN(C)C(=O)[C@H]1CCCCN1S(C)(=O)=O Cc1ccccc1O[*:1] CN(CC[*:1])C(=O)[C@H]1CCCCN1S(C)(=O)=O
Cc1ccccc1OCCN(C)C(=O)[C@H]1CCCCN1S(C)(=O)=O Cc1ccccc1[*:1] CN(CCO[*:1])C(=O)[C@H]1CCCCN1S(C)(=O)=O
O=C(CCC(=O)N1CCC(N2CCCC2=O)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N1CCC(CC1)N1CCCC1=O
O=C(CCC(=O)N1CCC(N2CCCC2=O)CC1)c1ccc(Cl)cc1 O=C1CCCN1[*:1] O=C(CCC(=O)N1CCC(CC1)[*:1])c1ccc(Cl)cc1
CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(S1)SC(C(C)=O)=C(C)N2C Clc1cccc(c1)[*:1] CCOC(=O)C1=NN([C@@]2(S1)SC(C(C)=O)=C(C)N2C)[*:1]
CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(S1)SC(C(C)=O)=C(C)N2C CC(=O)[*:1] CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(S1)SC(=C(C)N2C)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N(C)CC(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccc(c(c1)OCC(=O)N(C)C[*:1])C(C)C
Cc1ccc(C(C)C)c(OCC(=O)N(C)CC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] Cc1ccc(c(c1)OCC(=O)N(C)[*:1])C(C)C
Cc1ccc(C(C)C)c(OCC(=O)N(C)CC(=O)N(C)C)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)N(C)CC(=O)N(C)C)[*:1]
C=CCNC(=O)COC(=O)c1ccc(N2CCC(C)=N2)cc1 C=CC[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)OCC(=O)N[*:1]
C=CCNC(=O)COC(=O)c1ccc(N2CCC(C)=N2)cc1 C=CCNC(=O)C[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)O[*:1]
C=CCNC(=O)COC(=O)c1ccc(N2CCC(C)=N2)cc1 C=CCNC(=O)[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)OC[*:1]
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@H]3C[C@H](F)[C@@]2(O)C1 CC(=O)O[*:1] CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](F)[C@@]4(O)C[C@H](CC[C@]4(C)[C@@H]3CC[C@]12C)[*:1]
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@H]3C[C@H](F)[C@@]2(O)C1 CC(=O)[*:1] CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4[*:1])[C@H]3C[C@H](F)[C@@]2(O)C1
COC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F COC(C)(C)C[*:1] O=C(N[*:1])[C@@H]1C[C@H]1c1cc(F)ccc1F
COC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F COC(C)(C)[*:1] O=C(NC[*:1])[C@@H]1C[C@H]1c1cc(F)ccc1F
C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 O=C(C[*:1])N1CCOCC1 C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCN(CC1)[*:1]
C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 O=C(N1CCOCC1)[*:1] C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCN(CC1)C[*:1]
CCn1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cn1 CC(C)[*:1] CCn1cc(cn1)C(=O)Nc1cccc(c1)Cn1ccnc1[*:1]
CCn1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cn1 CC(C)c1nccn1[*:1] CCn1cc(cn1)C(=O)Nc1cccc(c1)C[*:1]
CCn1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cn1 CCn1cc(cn1)[*:1] CC(C)c1nccn1Cc1cccc(c1)NC(=O)[*:1]
Cc1c(Cl)cccc1NC(=O)CNc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1c(Cl)cccc1NC(=O)CNc1cccc(c1)[*:1]
CNC(=O)c1cc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)ccc1F Fc1ccc(cc1)[*:1] CNC(=O)c1cc(ccc1F)NC(=O)N1CCO[C@@H](C1)[*:1]
CNC(=O)c1cc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)ccc1F CNC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])N1CCO[C@H](C1)c1ccc(F)cc1
O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@@H]1O2 O=C(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)CC[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@@H]1O2 O=C(C[*:1])N1CCCC1 O=C(Nc1ccc(cc1)C[*:1])[C@@H]1C[C@H]2CC[C@@H]1O2
[NH3+]CCCNC(=O)c1ccc(Br)nc1 [NH3+]CCC[*:1] O=C(N[*:1])c1ccc(Br)nc1
[NH3+]CCCNC(=O)c1ccc(Br)nc1 [NH3+]CC[*:1] O=C(NC[*:1])c1ccc(Br)nc1
CC(C)CNC(=O)Cc1csc(-c2cccs2)n1 CC(C)C[*:1] O=C(Cc1csc(n1)-c1cccs1)N[*:1]
CC(C)CNC(=O)Cc1csc(-c2cccs2)n1 c1csc(c1)[*:1] CC(C)CNC(=O)Cc1csc(n1)[*:1]
CC(C)CNC(=O)Cc1csc(-c2cccs2)n1 CC(C)[*:1] O=C(Cc1csc(n1)-c1cccs1)NC[*:1]
COc1ccc(C2(CNC(=O)CC3CCC3)CCOCC2)cc1 C1CC(C1)C[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)[*:1]
COc1ccc(C2(CNC(=O)CC3CCC3)CCOCC2)cc1 C1CC(C1)[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)C[*:1]
Cc1nn(-c2ccc([O-])nn2)c2c1[C@H](c1ccc(-c3ccccc3F)o1)CC(O)=N2 [O-]c1ccc(nn1)[*:1] Cc1nn(c2N=C(O)C[C@@H](c3ccc(o3)-c3ccccc3F)c12)[*:1]
Cc1nn(-c2ccc([O-])nn2)c2c1[C@H](c1ccc(-c3ccccc3F)o1)CC(O)=N2 Fc1ccccc1[*:1] Cc1nn(-c2ccc([O-])nn2)c2N=C(O)C[C@@H](c3ccc(o3)[*:1])c12
NS(=O)(=O)c1ccc(CCNCc2cccc(F)c2)cc1 NS(=O)(=O)[*:1] Fc1cccc(c1)CNCCc1ccc(cc1)[*:1]
NS(=O)(=O)c1ccc(CCNCc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC[*:1]
O=C(CSCC(F)(F)F)Nc1[nH]ncc1-c1ccc2c(c1)OCO2 FC(F)(F)C[*:1] O=C(CS[*:1])Nc1[nH]ncc1-c1ccc2OCOc2c1
O=C(CSCC(F)(F)F)Nc1[nH]ncc1-c1ccc2c(c1)OCO2 FC(F)(F)CS[*:1] O=C(C[*:1])Nc1[nH]ncc1-c1ccc2OCOc2c1
O=C(CSCC(F)(F)F)Nc1[nH]ncc1-c1ccc2c(c1)OCO2 FC(F)(F)CSC[*:1] O=C(Nc1[nH]ncc1-c1ccc2OCOc2c1)[*:1]
O=C(CSCC(F)(F)F)Nc1[nH]ncc1-c1ccc2c(c1)OCO2 FC(F)(F)[*:1] O=C(CSC[*:1])Nc1[nH]ncc1-c1ccc2OCOc2c1
C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccco1 c1coc(c1)[*:1] C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)[*:1]
N=C1S/C(=C2/C([O-])=Nc3ccccc32)C(=O)N1c1nccs1 c1csc(n1)[*:1] N=C1S/C(C(=O)N1[*:1])=C1/C([O-])=Nc2ccccc21
CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@@H]1[*:1]
CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@H]1c1ccccc1Cl Clc1ccc(c(Cl)c1)[*:1] CC(=O)N1N=C(CO[*:1])O[C@H]1c1ccccc1Cl
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccon3)[C@H]4C2=O)c1 c1cc(no1)[*:1] COc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)C[*:1])[C@H]3C1=O
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccon3)[C@H]4C2=O)c1 COc1cccc(c1)[*:1] CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@H]13)O2
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccon3)[C@H]4C2=O)c1 CN(Cc1ccon1)C(=O)[*:1] COc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@@H]([C@H]3C1=O)[*:1]
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccon3)[C@H]4C2=O)c1 c1cc(C[*:1])no1 COc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)[*:1])[C@H]3C1=O
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccon3)[C@H]4C2=O)c1 COc1cccc(c1)C[*:1] CN(Cc1ccon1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2
O=C(OCc1cnn(-c2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(OCc1cnn(c1)-c1ccccc1)c1ccc(c(c1)[*:1])N1CCCC1
O=C(OCc1cnn(-c2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(OCc1cnn(c1)[*:1])c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
O=C(OCc1cnn(-c2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] O=C(OCc1cnn(c1)-c1ccccc1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC[C@@H](Oc1ccccc1F)/C([O-])=N/c1nc2ncccn2n1 Fc1ccccc1[*:1] CC[C@@H](O[*:1])/C([O-])=N/c1nc2ncccn2n1
CN(Cc1cnn(C)c1)C(=O)NCc1coc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CN(Cc1cnn(C)c1)C(=O)NCc1coc(n1)[*:1]
CN(Cc1cnn(C)c1)C(=O)NCc1coc(-c2ccccc2)n1 Cn1cc(cn1)C[*:1] CN(C(=O)NCc1coc(n1)-c1ccccc1)[*:1]
CN(Cc1cnn(C)c1)C(=O)NCc1coc(-c2ccccc2)n1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)NCc1coc(n1)-c1ccccc1
CCNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)c1 CCNC(=O)[*:1] Cc1cc(C)cc(c1)N1CC[C@@H](C(=O)Nc2cc(ccc2C)[*:1])C1=O
CCNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)c1 Cc1cc(C)cc(c1)[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)[C@@H]1CCN(C1=O)[*:1]
Cn1cnc2cc(OC(=O)CCc3ccccc3)ccc21 c1ccc(cc1)C[*:1] Cn1cnc2cc(ccc21)OC(=O)C[*:1]
Cn1cnc2cc(OC(=O)CCc3ccccc3)ccc21 c1ccc(cc1)[*:1] Cn1cnc2cc(ccc21)OC(=O)CC[*:1]
CCN1C(=O)c2ccccc2Sc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc21 Cc1ccc(cc1)[*:1] CCN1C(=O)c2ccccc2Sc2cc(ccc21)NC(=O)[C@@H](C)NS(=O)(=O)[*:1]
CCN1C(=O)c2ccccc2Sc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc21 Cc1ccc(cc1)S(=O)(=O)N[*:1] CCN1C(=O)c2ccccc2Sc2cc(ccc21)NC(=O)[C@@H](C)[*:1]
C[C@H](CC[C@@H]1CCCO1)NC(=O)c1ccccc1N1CCOCC1 C1CO[C@@H](C1)[*:1] C[C@H](CC[*:1])NC(=O)c1ccccc1N1CCOCC1
C[C@H](CC[C@@H]1CCCO1)NC(=O)c1ccccc1N1CCOCC1 C1CO[C@@H](C1)CC[*:1] C[C@H](NC(=O)c1ccccc1N1CCOCC1)[*:1]
C[C@H](CC[C@@H]1CCCO1)NC(=O)c1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] C[C@H](CC[C@@H]1CCCO1)NC(=O)c1ccccc1[*:1]
C[C@H](CC[C@@H]1CCCO1)NC(=O)c1ccccc1N1CCOCC1 C1CO[C@@H](C1)C[*:1] C[C@H](C[*:1])NC(=O)c1ccccc1N1CCOCC1
CC[C@@H](C)[C@@H](Nc1cncc(-n2nc(C)cc2C)n1)C(N)=O NC(=O)[*:1] CC[C@@H](C)[C@@H](Nc1cncc(n1)-n1nc(C)cc1C)[*:1]
CC[C@@H](C)[C@@H](Nc1cncc(-n2nc(C)cc2C)n1)C(N)=O Cc1cc(C)n(n1)[*:1] CC[C@@H](C)[C@@H](Nc1cncc(n1)[*:1])C(N)=O
CC[C@@H](C)[C@@H](Nc1cncc(-n2nc(C)cc2C)n1)C(N)=O CC[C@@H](C)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)N[C@@H](C(N)=O)[*:1]
CCOC(=O)CSc1cc2c(cc1Cl)[C@@H](O)C(=O)N2 CCOC(=O)C[*:1] O=C1Nc2cc(S[*:1])c(Cl)cc2[C@H]1O
CCOC(=O)CSc1cc2c(cc1Cl)[C@@H](O)C(=O)N2 CCOC(=O)[*:1] O=C1Nc2cc(SC[*:1])c(Cl)cc2[C@H]1O
C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2ccc([N+](=O)[O-])s2)C1 O=[N+]([O-])[*:1] C[C@@H]1C[C@H]([NH3+])CN(C1)C(=O)c1ccc(s1)[*:1]
O=C(Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1)c1c[nH]c2ccccc2c1=O Clc1cc(Cl)cc(c1)[*:1] O=C(Nc1cc([nH]n1)[*:1])c1c[nH]c2ccccc2c1=O
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)Cc2c(F)cccc2Cl)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(/C=C/C(=O)N(C)Cc2c(F)cccc2Cl)cs1)[*:1]
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)Cc2c(F)cccc2Cl)cs1 Fc1cccc(Cl)c1[*:1] CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)C[*:1])cs1
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)Cc2c(F)cccc2Cl)cs1 CC(=O)N(c1ccccc1)[*:1] CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1csc(n1)[*:1]
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)Cc2c(F)cccc2Cl)cs1 Fc1cccc(Cl)c1C[*:1] CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)[*:1])cs1
COCc1cccc(Oc2cccc(C(C)=O)c2)c1 COC[*:1] CC(=O)c1cccc(c1)Oc1cccc(c1)[*:1]
COCc1cccc(Oc2cccc(C(C)=O)c2)c1 CC(=O)[*:1] COCc1cccc(c1)Oc1cccc(c1)[*:1]
C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](O)C1)c1cccc(-n2cncn2)c1 c1ncn(n1)[*:1] C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](O)C1)c1cccc(c1)[*:1]
COc1ccc(CCCCC(=O)N2CCOC[C@H]2C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CCCCC(=O)N1CCOC[C@@H]1[*:1]
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 N#Cc1cccc(c1)[*:1] CN(C[*:1])C(=O)N[C@@H]1CCN(C1)c1cccc(Cl)c1
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C1)[*:1]
CCC(=O)Nc1cc(NC(=O)/C=C/C(=O)[O-])ccc1C O=C([O-])C=C[*:1] CCC(=O)Nc1cc(ccc1C)NC(=O)[*:1]
CCC(=O)Nc1cc(NC(=O)/C=C/C(=O)[O-])ccc1C O=C([O-])[*:1] CCC(=O)Nc1cc(ccc1C)NC(=O)C=C[*:1]
CCC(=O)Nc1cc(NC(=O)/C=C/C(=O)[O-])ccc1C CCC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)/C=C/C(=O)[O-]
CC[C@@H](C)NC(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2)n1 CC[C@@H](C)[*:1] CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[*:1])cs1
CC[C@@H](C)NC(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2)n1 CC[C@@H](C)NC(=O)[*:1] CC(=O)N(c1ccccc1)c1nc(C=C[*:1])cs1
CC[C@@H](C)NC(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)/C=C/c1csc(n1)N(C(C)=O)[*:1]
COC(=O)c1sc(NC(=O)c2oc3ccc(OC)cc3c2C)nc1C COC(=O)[*:1] COc1ccc2oc(C(=O)Nc3nc(C)c(s3)[*:1])c(C)c2c1
CN(Cc1ccc(F)c(F)c1)C(=O)c1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1F)[*:1] CN(C[*:1])C(=O)c1ccn(n1)-c1ccc(F)cc1
CN(Cc1ccc(F)c(F)c1)C(=O)c1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CN(Cc1ccc(F)c(F)c1)C(=O)c1ccn(n1)[*:1]
O=C([O-])/C=C/c1ccc(OCCSC2COC2)cc1 C1OCC1SC[*:1] O=C([O-])/C=C/c1ccc(cc1)OC[*:1]
O=C([O-])/C=C/c1ccc(OCCSC2COC2)cc1 O=C([O-])[*:1] C(=C[*:1])c1ccc(cc1)OCCSC1COC1
O=C([O-])/C=C/c1ccc(OCCSC2COC2)cc1 O=C([O-])C=C[*:1] c1cc(ccc1OCCSC1COC1)[*:1]
O=C([O-])/C=C/c1ccc(OCCSC2COC2)cc1 C1OCC1S[*:1] O=C([O-])/C=C/c1ccc(cc1)OCC[*:1]
O=C([O-])/C=C/c1ccc(OCCSC2COC2)cc1 C1OCC1[*:1] O=C([O-])/C=C/c1ccc(cc1)OCCS[*:1]
COc1cc(OC)c(NC(=O)Cn2nc(SC)c(S(C)(=O)=O)c2N)cc1Cl CS(=O)(=O)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)Cn1nc(SC)c(c1N)[*:1]
Cc1ccc(-n2ncc3c(=O)n(NC(=O)[C@@H](C)Oc4ccccc4)cnc32)cc1 c1ccc(cc1)O[*:1] Cc1ccc(cc1)-n1ncc2c(=O)n(cnc21)NC(=O)[C@@H](C)[*:1]
Cc1ccc(-n2ncc3c(=O)n(NC(=O)[C@@H](C)Oc4ccccc4)cnc32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1ncc2c(=O)n(cnc21)NC(=O)[C@@H](C)O[*:1]
Cc1ccc(-n2ncc3c(=O)n(NC(=O)[C@@H](C)Oc4ccccc4)cnc32)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Oc1ccccc1)C(=O)Nn1cnc2c(cnn2[*:1])c1=O
Cc1ccc(-n2ncc3c(=O)n(NC(=O)[C@@H](C)Oc4ccccc4)cnc32)cc1 C[C@@H](Oc1ccccc1)[*:1] Cc1ccc(cc1)-n1ncc2c(=O)n(cnc21)NC(=O)[*:1]
Cc1cscc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cscc1C[NH2+]Cc1cccc(c1C)[*:1]
Cc1cscc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C Cc1cscc1[*:1] Cc1c(cccc1[N+](=O)[O-])C[NH2+]C[*:1]
O=C(CCC(=O)N1CCN(c2ncccc2F)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1ncccc1F
O=C(CCC(=O)N1CCN(c2ncccc2F)CC1)N1CCOCC1 Fc1cccnc1[*:1] O=C(CCC(=O)N1CCN(CC1)[*:1])N1CCOCC1
COC(=O)NC(C)(C)C(=O)Nc1cnn(-c2ccccc2F)c1 COC(=O)N[*:1] CC(C)(C(=O)Nc1cnn(c1)-c1ccccc1F)[*:1]
COC(=O)NC(C)(C)C(=O)Nc1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] COC(=O)NC(C)(C)C(=O)Nc1cnn(c1)[*:1]
CCOc1ccc(NC(=O)[C@H](C)Nc2cccc(N(C)C(C)=O)c2)cc1 CC(=O)N(C)[*:1] CCOc1ccc(cc1)NC(=O)[C@H](C)Nc1cccc(c1)[*:1]
CCOc1ccc(NC(=O)[C@H](C)Nc2cccc(N(C)C(C)=O)c2)cc1 CCO[*:1] CC(=O)N(C)c1cccc(c1)N[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
C[C@H]1[C@H](C)CCCN1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H]1[C@H](C)CCCN1C(=O)NC[*:1]
COCCN(Cc1cccnc1)C(=O)NC[C@@H]1CCC[C@H](C)C1 c1cncc(c1)C[*:1] COCCN(C(=O)NC[C@@H]1CCC[C@H](C)C1)[*:1]
COCCN(Cc1cccnc1)C(=O)NC[C@@H]1CCC[C@H](C)C1 COCC[*:1] C[C@H]1CCC[C@@H](CNC(=O)N(Cc2cccnc2)[*:1])C1
COCCN(Cc1cccnc1)C(=O)NC[C@@H]1CCC[C@H](C)C1 c1cncc(c1)[*:1] COCCN(C[*:1])C(=O)NC[C@@H]1CCC[C@H](C)C1
COCCN(Cc1cccnc1)C(=O)NC[C@@H]1CCC[C@H](C)C1 COC[*:1] C[C@H]1CCC[C@@H](CNC(=O)N(Cc2cccnc2)C[*:1])C1
O=C(Nc1ccc(Cl)cc1F)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 Fc1cc(Cl)ccc1[*:1] O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)C(=O)N[*:1]
O=C(NN1CCOCC1)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(NN1CCOCC1)[C@H]1[C@H]2C=C[C@H](CC2)[C@@H]1[*:1]
COC(=O)c1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1]
COC(=O)c1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1
COc1ccc([C@@H](NC(=O)c2cc(C#N)cn2C)c2nccn2C)cc1 COc1ccc(cc1)[*:1] Cn1cc(C#N)cc1C(=O)N[C@@H](c1nccn1C)[*:1]
COc1ccc([C@@H](NC(=O)c2cc(C#N)cn2C)c2nccn2C)cc1 Cn1cc(C#N)cc1[*:1] COc1ccc(cc1)[C@@H](NC(=O)[*:1])c1nccn1C
COc1ccc([C@@H](NC(=O)c2cc(C#N)cn2C)c2nccn2C)cc1 Cn1ccnc1[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1cc(C#N)cn1C)[*:1]
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1n[nH]c2ccccc12
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)nc1 c1ccc2c(n[nH]c2c1)[*:1] Cc1ccc(nc1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)c1nc(C(C)(C)C)n[n-]1 CC(C)(C)[*:1] CC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)c1nc(n[n-]1)[*:1]
CC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)c1nc(C(C)(C)C)n[n-]1 O=C([O-])[*:1] CC[C@@H]1SC[C@@H](N1C(=O)c1nc(n[n-]1)C(C)(C)C)[*:1]
CCCCN1C(=O)CC[C@H]2CN(C(=O)c3c[nH]c(=O)[nH]3)CC[C@H]21 O=c1[nH]cc([nH]1)[*:1] CCCCN1C(=O)CC[C@H]2CN(CC[C@H]21)C(=O)[*:1]
CCCCN1C(=O)CC[C@H]2CN(C(=O)c3c[nH]c(=O)[nH]3)CC[C@H]21 CCC[*:1] O=C(c1c[nH]c(=O)[nH]1)N1CC[C@@H]2[C@@H](CCC(=O)N2C[*:1])C1
CCCCN1C(=O)CC[C@H]2CN(C(=O)c3c[nH]c(=O)[nH]3)CC[C@H]21 CCCC[*:1] O=C(c1c[nH]c(=O)[nH]1)N1CC[C@@H]2[C@@H](CCC(=O)N2[*:1])C1
Cc1cccc(NCc2cn(C)nc2-c2ccccc2)[nH+]1 c1ccc(cc1)[*:1] Cc1cccc(NCc2cn(C)nc2[*:1])[nH+]1
CCOc1ncccc1C(=O)Nc1c(C#N)cnn1C CCO[*:1] Cn1ncc(C#N)c1NC(=O)c1cccnc1[*:1]
COc1ccc(NC(=O)NCC2CCN(c3nsc4ccccc34)CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(NCC1CCN(CC1)c1nsc2ccccc12)N[*:1]
COc1ccc(NC(=O)NCC2CCN(c3nsc4ccccc34)CC2)c(OC)c1 c1ccc2c(nsc2c1)[*:1] COc1ccc(NC(=O)NCC2CCN(CC2)[*:1])c(c1)OC
CCc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)cc1 Clc1ccc(cc1)[*:1] CCc1ccc(cc1)CNC(=O)c1nn(c(=O)n(C)c1=O)[*:1]
CCc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)cc1 CCc1ccc(cc1)C[*:1] Cn1c(=O)c(nn(-c2ccc(Cl)cc2)c1=O)C(=O)N[*:1]
CCc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)cc1 CCc1ccc(cc1)[*:1] Cn1c(=O)c(nn(-c2ccc(Cl)cc2)c1=O)C(=O)NC[*:1]
COc1cccc([C@@H](O)CNC(=O)NC[C@H](C)c2ccc(F)c(F)c2)c1 COc1cccc(c1)[*:1] C[C@@H](CNC(=O)NC[C@H](O)[*:1])c1ccc(F)c(F)c1
COc1cccc([C@@H](O)CNC(=O)NC[C@H](C)c2ccc(F)c(F)c2)c1 Fc1ccc(cc1F)[*:1] COc1cccc(c1)[C@@H](O)CNC(=O)NC[C@H](C)[*:1]
NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CC1 NC(=O)[*:1] O=C(Nc1ccccc1C[*:1])C(=O)N[C@@H](c1ccccc1)C1CC1
NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H](C1CC1)[*:1]
NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CC1 C1CC1[*:1] NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)[*:1]
NC(=O)Cc1ccccc1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CC1 NC(=O)C[*:1] O=C(Nc1ccccc1[*:1])C(=O)N[C@@H](c1ccccc1)C1CC1
O=C(OCc1nc2ccccc2n1C(F)F)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(o1)[*:1]
O=C(OCc1nc2ccccc2n1C(F)F)c1ccc([N+](=O)[O-])o1 FC(F)[*:1] O=C(OCc1nc2ccccc2n1[*:1])c1ccc(o1)[N+](=O)[O-]
O=C(OCc1nc2ccccc2n1C(F)F)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(OCc1nc2ccccc2n1C(F)F)[*:1]
CCOc1cc(C[NH+](C)Cc2cc(C)on2)cc(Br)c1OC Cc1cc(no1)[*:1] CCOc1cc(cc(Br)c1OC)C[NH+](C)C[*:1]
CCOc1cc(C[NH+](C)Cc2cc(C)on2)cc(Br)c1OC CCO[*:1] COc1c(Br)cc(cc1[*:1])C[NH+](C)Cc1cc(C)on1
CCOc1cc(C[NH+](C)Cc2cc(C)on2)cc(Br)c1OC Cc1cc(C[*:1])no1 CCOc1cc(cc(Br)c1OC)C[NH+](C)[*:1]
COCCOc1cc(C)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C COCC[*:1] Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c(c1)O[*:1]
COCCOc1cc(C)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C COCCO[*:1] Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c(c1)[*:1]
COCCOc1cc(C)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C COC[*:1] Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c(c1)OC[*:1]
C[C@H]1CCCC[C@H]1NC(=O)CO/N=C/C(=O)Nc1ccccc1Br Brc1ccccc1[*:1] C[C@H]1CCCC[C@H]1NC(=O)CO/N=C/C(=O)N[*:1]
CCOC(=O)c1[nH]ncc1CN1CCO[C@H](COC)C1 CCOC(=O)[*:1] COC[C@@H]1CN(CCO1)Cc1cn[nH]c1[*:1]
CCOC(=O)c1[nH]ncc1CN1CCO[C@H](COC)C1 COC[*:1] CCOC(=O)c1[nH]ncc1CN1CCO[C@H](C1)[*:1]
Cn1ncnc1CCNC1=NS(=O)(=O)c2ccccc21 Cn1ncnc1[*:1] O=S1(=O)N=C(NCC[*:1])c2ccccc21
CCC1(CNC(=O)c2cc(Cl)c(OC)c(OC)c2)CCC1 CCC1(CCC1)C[*:1] COc1cc(cc(Cl)c1OC)C(=O)N[*:1]
CCC1(CNC(=O)c2cc(Cl)c(OC)c(OC)c2)CCC1 CCC1(CCC1)[*:1] COc1cc(cc(Cl)c1OC)C(=O)NC[*:1]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 O=[N+]([O-])[*:1] COc1ccc(cc1S(=O)(=O)N1CCC[C@@H]1c1ccc2OCCCOc2c1)[*:1]
CC(C)N(C)C(=O)/C=C/c1cccc(C#N)c1 CC(C)[*:1] CN(C(=O)/C=C/c1cccc(C#N)c1)[*:1]
CCc1cccc(NC(=O)CSc2nc3ccc(C)cc3c(=O)n2C)c1 CCc1cccc(c1)[*:1] Cc1ccc2nc(SCC(=O)N[*:1])n(C)c(=O)c2c1
CCCc1c(C[NH2+]C)cnn1-c1cc(C)ccc1C CCC[*:1] C[NH2+]Cc1cnn(-c2cc(C)ccc2C)c1[*:1]
CCNC(=O)c1csc(Nc2ncccn2)n1 CCNC(=O)[*:1] c1cnc(nc1)Nc1nc(cs1)[*:1]
CC[C@H](C)N(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 CC[C@H](C)[*:1] C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[*:1]
NC(=O)N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 Clc1ccc(c(Cl)c1)[*:1] NC(=O)N/N=C\c1cn(C[*:1])c2ccccc12
NC(=O)N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 NC(=O)NN=C[*:1] Clc1ccc(Cn2cc(c3ccccc32)[*:1])c(Cl)c1
CC(C)c1ccc([C@@H](NC(=O)CCn2ccccc2=O)C(C)C)cc1 O=c1ccccn1[*:1] CC(C)c1ccc(cc1)[C@@H](NC(=O)CC[*:1])C(C)C
CC(C)c1ccc([C@@H](NC(=O)CCn2ccccc2=O)C(C)C)cc1 CC(C)[*:1] CC(C)c1ccc(cc1)[C@@H](NC(=O)CCn1ccccc1=O)[*:1]
CC(C)c1ccc([C@@H](NC(=O)CCn2ccccc2=O)C(C)C)cc1 O=c1ccccn1C[*:1] CC(C)c1ccc(cc1)[C@@H](NC(=O)C[*:1])C(C)C
CC(C)c1ccc([C@@H](NC(=O)CCn2ccccc2=O)C(C)C)cc1 CC(C)[*:1] CC(C)[C@H](NC(=O)CCn1ccccc1=O)c1ccc(cc1)[*:1]
CCn1c2ccccc2c2cc(NC(=O)c3ccc(=O)oc3)ccc21 O=c1ccc(co1)[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)[*:1]
CC[C@H](CO)n1cnc2sc3c(c2c1=O)CCCC3 CC[C@H](CO)[*:1] O=c1c2c3CCCCc3sc2ncn1[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccsc1 c1cc(cs1)[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccsc1 C[S@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)c1ccsc1
CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1 CC(=O)N[*:1] O=C(NCCc1csc2nc(nn12)-c1ccccc1F)C(=O)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1 Fc1ccccc1[*:1] CC(=O)Nc1cccc(c1)NC(=O)C(=O)NCCc1csc2nc(nn12)[*:1]
CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(NCCc1csc2nc(nn12)-c1ccccc1F)C(=O)N[*:1]
CCc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)Nc1nn(c2CCCC(=O)c12)[*:1]
CCc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)cc1 CCc1ccc(cc1)[*:1] O=C1CCCc2c1c(nn2-c1ccccc1)N[*:1]
CC(C)(C)NC(=O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl CC(C)(C)NC(=O)[*:1] O=C(Nc1ccccc1C(=O)NC[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
CC(C)(C)NC(=O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl CC(C)(C)NC(=O)C[*:1] O=C(Nc1ccccc1C(=O)N[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
CC(C)(C)NC(=O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CC(C)(C)NC(=O)CNC(=O)c1ccccc1NC(=O)c1ccc(cc1Cl)[*:1]
CC(C)(C)NC(=O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])c1ccc(c(Cl)c1)[*:1] CC(C)(C)NC(=O)CNC(=O)c1ccccc1NC(=O)[*:1]
CC(C)(C)NC(=O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl CC(C)(C)[*:1] O=C(CNC(=O)c1ccccc1NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])N[*:1]
CCc1nn(C)c(OC)c1CNc1nc(C(C)C)ns1 CC(C)[*:1] CCc1nn(C)c(OC)c1CNc1nc(ns1)[*:1]
CC[NH2+]Cc1cncc(N2CCC[C@@H]2C(C)C)n1 CC(C)[*:1] CC[NH2+]Cc1cncc(n1)N1CCC[C@H]1[*:1]
Cc1cc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(C)[nH]1 Fc1ccc(cc1)[*:1] Cc1cc(C(=O)Cn2nc(oc2=O)[*:1])c(C)[nH]1
Cc1cc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(C)[nH]1 Cc1cc(c(C)[nH]1)[*:1] O=C(Cn1nc(oc1=O)-c1ccc(F)cc1)[*:1]
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccc(F)cc1)[*:1]
O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)[*:1])c1ccccc1
C[C@H](Nc1ccc2c(c1)CC(=O)N2)C(=O)NC1(C#N)CCCCC1 N#CC1(CCCCC1)[*:1] C[C@H](Nc1ccc2NC(=O)Cc2c1)C(=O)N[*:1]
COc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c2ccccc12 C1CN(CCO1)[*:1] COc1ccc(/C=N/Nc2nc(nc(n2)[*:1])N2CCOCC2)c2ccccc12
CC[C@H](C)C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 CS(=O)(=O)[*:1] CC[C@H](C)C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(cc2)[*:1])c(Cl)c1
CC[C@H](C)C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 CC[C@H](C)C(=O)N[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)Nc1c(Cl)cc(cc1Cl)[*:1]
O=c1sc2c(n1Cc1cnc(Cl)s1)CCCCC2 Clc1ncc(s1)[*:1] O=c1sc2CCCCCc2n1C[*:1]
CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3ncccc3c2)cc1 CCOc1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)[*:1]
CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3ncccc3c2)cc1 CCO[*:1] C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccc(cc1)[*:1]
CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1 CCO[*:1] O=C(Nc1cc(ccc1Cl)C(=O)Nc1ccccc1[*:1])c1ccncc1
CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1 c1cc(ccn1)[*:1] CCOc1ccccc1NC(=O)c1ccc(Cl)c(c1)NC(=O)[*:1]
CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1 CCOc1ccccc1[*:1] O=C(Nc1cc(ccc1Cl)C(=O)N[*:1])c1ccncc1
CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1 O=C(N[*:1])c1ccncc1 CCOc1ccccc1NC(=O)c1ccc(Cl)c(c1)[*:1]
CCCCn1nccc1NC(=O)CSc1nc(C)n[nH]1 CCCC[*:1] Cc1n[nH]c(n1)SCC(=O)Nc1ccnn1[*:1]
CCCCn1nccc1NC(=O)CSc1nc(C)n[nH]1 CCC[*:1] Cc1n[nH]c(n1)SCC(=O)Nc1ccnn1C[*:1]
CCCCn1nccc1NC(=O)CSc1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CCCCn1nccc1NC(=O)CS[*:1]
C[C@H](C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1C(F)(F)F c1cnc(nc1)[*:1] C[C@H](C(=O)NC[C@@H]1CCCN(C1)[*:1])c1ccccc1C(F)(F)F
C[C@H](C(=O)NC[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C[C@H](C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)c1ccccc1[*:1]
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 CC(C)[*:1] C[C@H](NC(=O)c1cccc(c1)S(=O)(=O)N(C)[*:1])c1ccc(cc1)S(N)(=O)=O
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 CC(C)N(C)S(=O)(=O)[*:1] C[C@H](NC(=O)c1cccc(c1)[*:1])c1ccc(cc1)S(N)(=O)=O
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 NS(=O)(=O)[*:1] CC(C)N(C)S(=O)(=O)c1cccc(c1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2[C@H]4CC[C@H](C4)[C@@H]2[C@H](c2cccc(C(=O)[O-])c2)N3)no1 O=C([O-])[*:1] Cc1cc(no1)[N-]S(=O)(=O)c1ccc2N[C@@H](c3cccc(c3)[*:1])[C@@H]3[C@@H](c2c1)[C@H]1CC[C@@H]3C1
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2[C@H]4CC[C@H](C4)[C@@H]2[C@H](c2cccc(C(=O)[O-])c2)N3)no1 O=C([O-])c1cccc(c1)[*:1] Cc1cc(no1)[N-]S(=O)(=O)c1ccc2N[C@@H]([C@@H]3[C@@H](c2c1)[C@H]1CC[C@@H]3C1)[*:1]
Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C2CC2)c1C C1CC1[*:1] Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2[*:1])c1C
Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C2CC2)c1C Cc1cccc(c1C)[*:1] C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C2CC2)c1C c1cc(ccn1)[*:1] Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(n2C2CC2)[*:1])c1C
Cc1nc2cc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)ccc2n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nc2cc(ccc2n1[*:1])C(=O)O[C@H](C)C(=O)Nc1ccc2OCCOc2c1
Cc1nc2cc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)ccc2n1-c1ccccc1 c1cc2OCCOc2cc1[*:1] Cc1nc2cc(ccc2n1-c1ccccc1)C(=O)O[C@H](C)C(=O)N[*:1]
O=C([O-])c1cc2n[nH]cc2cc1[N+](=O)[O-] O=C([O-])[*:1] O=[N+]([O-])c1cc2c[nH]nc2cc1[*:1]
O=C([O-])c1cc2n[nH]cc2cc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C([O-])c1cc2n[nH]cc2cc1[*:1]
C[C@@H](CC1CCCCC1)C(=O)NCC(=O)N1CCCC1 C1CCC(CC1)[*:1] C[C@@H](C[*:1])C(=O)NCC(=O)N1CCCC1
CCOc1ccc(/C=C/C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1OC CCO[*:1] COc1cc(/C=C/C(=O)c2cc3cc(ccc3oc2=O)[N+](=O)[O-])ccc1[*:1]
CCOc1ccc(/C=C/C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1OC O=[N+]([O-])[*:1] CCOc1ccc(/C=C/C(=O)c2cc3cc(ccc3oc2=O)[*:1])cc1OC
CC(C)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cccs1 CC(C)C[*:1] CN1C(=O)CC[C@H](C(=O)N[*:1])[C@H]1c1cccs1
CC(C)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cccs1 c1csc(c1)[*:1] CC(C)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1[*:1]
CC(C)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cccs1 CC(C)[*:1] CN1C(=O)CC[C@H](C(=O)NC[*:1])[C@H]1c1cccs1
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1cc(-c2ccccc2)ncn1 COc1ccc(Cl)cc1[*:1] C[C@@H](Sc1cc(ncn1)-c1ccccc1)C(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1cc(-c2ccccc2)ncn1 c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1cc(ncn1)[*:1]
O=C(CSc1nc2ncccc2o1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1nc2ncccc2o1)N[*:1]
Cc1cccc(OCC[NH+](C)Cc2noc(C)n2)c1 Cc1nc(no1)[*:1] Cc1cccc(c1)OCC[NH+](C)C[*:1]
O=C(NC[C@@H]1CCCO1)Nc1nnc(C(F)(F)F)s1 C1CO[C@@H](C1)C[*:1] O=C(Nc1nnc(s1)C(F)(F)F)N[*:1]
O=C(NC[C@@H]1CCCO1)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] O=C(NC[C@@H]1CCCO1)Nc1nnc(s1)[*:1]
O=C(NC[C@@H]1CCCO1)Nc1nnc(C(F)(F)F)s1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])Nc1nnc(s1)C(F)(F)F
CS(=O)(=O)[N-]c1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1 c1cc(ccn1)[*:1] CS(=O)(=O)[N-]c1ccc(cc1)NC(=O)N(C[*:1])C1CC1
CS(=O)(=O)[N-]c1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1 C1CC1[*:1] CS(=O)(=O)[N-]c1ccc(cc1)NC(=O)N(Cc1ccncc1)[*:1]
CS(=O)(=O)[N-]c1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1 c1cc(ccn1)C[*:1] CS(=O)(=O)[N-]c1ccc(cc1)NC(=O)N(C1CC1)[*:1]
CC(C)N(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)CCC(=O)N1CCC(=N1)c1ccccc1)[*:1]
CC(C)N(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(C(=O)CCC(=O)N1CCC(=N1)[*:1])c1ccccc1
CC(C)N(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1 CC(C)[*:1] O=C(CCC(=O)N(c1ccccc1)[*:1])N1CCC(=N1)c1ccccc1
CCOC(=O)c1cnn2c1ncc1c(=O)n(-c3ccc(F)c(F)c3)ccc12 Fc1ccc(cc1F)[*:1] CCOC(=O)c1cnn2c1ncc1c(=O)n(ccc12)[*:1]
CCOC(=O)c1cnn2c1ncc1c(=O)n(-c3ccc(F)c(F)c3)ccc12 CCOC(=O)[*:1] O=c1c2cnc3c(cnn3c2ccn1-c1ccc(F)c(F)c1)[*:1]
Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)cc1 Cc1ccc(cc1)[*:1] O=c1c2c3nc4ccccc4nc3n(C[*:1])c2ncn1C1CCCC1
Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)cc1 Cc1ccc(cc1)C[*:1] O=c1c2c3nc4ccccc4nc3n(c2ncn1C1CCCC1)[*:1]
Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)Cn1c2nc3ccccc3nc2c2c(=O)n(cnc21)[*:1]
COc1ccc(Nc2ccccc2NC(=O)c2cc(OC)cc(OC)c2)cc1 COc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)Nc1ccccc1N[*:1])OC
COc1ccc(Nc2ccccc2NC(=O)c2cc(OC)cc(OC)c2)cc1 COc1ccc(cc1)N[*:1] COc1cc(cc(c1)C(=O)Nc1ccccc1[*:1])OC
CCC[C@@H](CC)n1c(CCCl)nc2c(OC)ncnc21 CCC[C@@H](CC)[*:1] COc1ncnc2c1nc(CCCl)n2[*:1]
CCC[C@@H](CC)n1c(CCCl)nc2c(OC)ncnc21 ClCC[*:1] CCC[C@@H](CC)n1c(nc2c(ncnc21)OC)[*:1]
CCC[C@@H](CC)n1c(CCCl)nc2c(OC)ncnc21 CCC[*:1] CC[C@@H](n1c(CCCl)nc2c(ncnc21)OC)[*:1]
CNC(=O)Cc1noc(CN2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)n1 CNC(=O)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)Cc1nc(C[*:1])no1
CNC(=O)Cc1noc(CN2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)n1 CNC(=O)C[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
CNC(=O)Cc1noc(CN2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)n1 CNC(=O)Cc1noc(n1)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)C[*:1]
CNC(=O)Cc1noc(CN2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)n1 Cc1cc(C)c(C)c(c1C)[*:1] CNC(=O)Cc1noc(CN2CCN(CC2)S(=O)(=O)[*:1])n1
COc1ccc(C[NH+]2CCCN(C(=O)Cc3ccccc3F)CC2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1ccccc1F)N1CCC[NH+](CC1)C[*:1]
COc1ccc(C[NH+]2CCCN(C(=O)Cc3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)C[NH+]1CCCN(CC1)C(=O)C[*:1]
COc1ccc(C[NH+]2CCCN(C(=O)Cc3ccccc3F)CC2)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)C[NH+]1CCCN(CC1)C(=O)[*:1]
COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(C)(C)C C1CCC(CC1)[*:1] COc1ccc(cc1C(C)(C)C)S(=O)(=O)N[*:1]
COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(C)(C)C CC(C)(C)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)NC1CCCCC1
Cn1cnc(C[NH2+]Cc2cccc3[nH]ccc23)n1 Cn1cnc(n1)[*:1] c1cc(C[NH2+]C[*:1])c2cc[nH]c2c1
CCS(=O)(=O)[C@@H](C)C(=O)N(C)C1CCCCC1 CCS(=O)(=O)[*:1] C[C@@H](C(=O)N(C)C1CCCCC1)[*:1]
CC(C)[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)COC2 CC(C)[*:1] Cn1cc(C[NH2+][*:1])c(n1)-c1ccc2COCc2c1
Cc1cc(N2CCN(c3ccccc3)CC2)n2nc(-c3ccco3)nc2n1 c1coc(c1)[*:1] Cc1cc(N2CCN(CC2)c2ccccc2)n2nc(nc2n1)[*:1]
Cc1cc(N2CCN(c3ccccc3)CC2)n2nc(-c3ccco3)nc2n1 c1ccc(cc1)[*:1] Cc1cc(N2CCN(CC2)[*:1])n2nc(nc2n1)-c1ccco1
CCc1ccc(C(=O)N(CCC#N)CC2CC2)cc1 N#CCC[*:1] CCc1ccc(cc1)C(=O)N(CC1CC1)[*:1]
CCc1ccc(C(=O)N(CCC#N)CC2CC2)cc1 C1CC1C[*:1] CCc1ccc(cc1)C(=O)N(CCC#N)[*:1]
CCc1ccc(C(=O)N(CCC#N)CC2CC2)cc1 C1CC1[*:1] CCc1ccc(cc1)C(=O)N(CCC#N)C[*:1]
CCc1ccc(C(=O)N(CCC#N)CC2CC2)cc1 N#CC[*:1] CCc1ccc(cc1)C(=O)N(CC1CC1)C[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CC[S@@](=O)C(C)(C)C2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@@H](C)N2CC[S@@](=O)C(C)(C)C2)c(C)c1[*:1]
O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)c1cccc(c1)[*:1] O=C([C@H]1CC(=O)N(C1)c1ccccc1F)N1CCN(CC1)[*:1]
O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 Fc1ccccc1[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1cccc(c1)C(F)(F)F
O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C([C@H]1CC(=O)N(C1)c1ccccc1F)N1CCN(CC1)c1cccc(c1)[*:1]
O=C(Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Cn1c(=O)n(c(=O)c2ccccc21)C1CCCCC1)[*:1]
O=C(Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 C1CCC(CC1)[*:1] O=C(Cn1c(=O)n(c(=O)c2ccccc21)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Cn1c(=O)n(c(=O)c2ccccc21)C1CCCCC1)c1ccc(cc1)[*:1]
C[C@@H](CC(=O)N(C)Cc1nccn1Cc1ccccc1)c1ccc(F)cc1 c1ccc(cc1)C[*:1] C[C@@H](CC(=O)N(C)Cc1nccn1[*:1])c1ccc(F)cc1
C[C@@H](CC(=O)N(C)Cc1nccn1Cc1ccccc1)c1ccc(F)cc1 C[C@@H](c1ccc(F)cc1)[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)C[*:1]
C[C@@H](CC(=O)N(C)Cc1nccn1Cc1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)N(C)Cc1nccn1C[*:1])c1ccc(F)cc1
C[C@@H](CC(=O)N(C)Cc1nccn1Cc1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H](CC(=O)N(C)Cc1nccn1Cc1ccccc1)[*:1]
COc1ccc(F)cc1NC(=O)c1cc(S(C)(=O)=O)ccc1C CS(=O)(=O)[*:1] COc1ccc(F)cc1NC(=O)c1cc(ccc1C)[*:1]
Cn1ncc(C#N)c1NC(=O)c1cc[nH]n1 c1cc(n[nH]1)[*:1] Cn1ncc(C#N)c1NC(=O)[*:1]
CC1CC(NC(=O)Cc2csc(-c3ccoc3)n2)C1 c1cc(co1)[*:1] CC1CC(C1)NC(=O)Cc1csc(n1)[*:1]
CC1CC(NC(=O)Cc2csc(-c3ccoc3)n2)C1 CC1CC(C1)[*:1] O=C(Cc1csc(n1)-c1ccoc1)N[*:1]
O=C(C[C@H](O)c1ccccc1)N1CCO[C@@H](c2nccs2)C1 c1csc(n1)[*:1] O=C(C[C@H](O)c1ccccc1)N1CCO[C@@H](C1)[*:1]
O=C(C[C@H](O)c1ccccc1)N1CCO[C@@H](c2nccs2)C1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N1CCO[C@H](C1)c1nccs1
CC(C)c1nc(Nc2cccc(C(=O)[O-])c2)cc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CC(C)c1nc(cc(n1)[*:1])Nc1cccc(c1)C(=O)[O-]
CC(C)c1nc(Nc2cccc(C(=O)[O-])c2)cc(-c2ccncc2)n1 O=C([O-])[*:1] CC(C)c1nc(cc(n1)-c1ccncc1)Nc1cccc(c1)[*:1]
CC(C)c1nc(Nc2cccc(C(=O)[O-])c2)cc(-c2ccncc2)n1 CC(C)[*:1] O=C([O-])c1cccc(c1)Nc1cc(nc(n1)[*:1])-c1ccncc1
CSc1nccc(N2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)n1 c1cc(ccn1)C[*:1] CSc1nccc(n1)N1CCC2(CCC(=O)N(C2)[*:1])CC1
CSc1nccc(N2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)n1 c1cc(ccn1)[*:1] CSc1nccc(n1)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
CSc1nccc(N2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)n1 CSc1nccc(n1)[*:1] O=C1CCC2(CCN(CC2)[*:1])CN1Cc1ccncc1
CC(C)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 CC(C)[*:1] C[C@@H](NC(=O)N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1)[*:1]
CC(C)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@@H](C)NC(=O)N1CCN(CC1)S(=O)(=O)C=C[*:1]
CC(C)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 CC(C)[C@@H](C)NC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc([C@@H](CNC(=O)NCc2csc(C)n2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] Cc1nc(cs1)CNC(=O)NC[C@@H]([NH+](C)C)[*:1]
COc1ccc([C@@H](CNC(=O)NCc2csc(C)n2)[NH+](C)C)cc1 Cc1nc(cs1)C[*:1] COc1ccc(cc1)[C@@H](CNC(=O)N[*:1])[NH+](C)C
COc1ccc([C@@H](CNC(=O)NCc2csc(C)n2)[NH+](C)C)cc1 Cc1nc(cs1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)NC[*:1])[NH+](C)C
CC[C@@H](CCO)CNC(=O)[C@H](C#N)c1ccccc1 CC[C@@H](CCO)[*:1] N#C[C@@H](C(=O)NC[*:1])c1ccccc1
CC[C@@H](CCO)CNC(=O)[C@H](C#N)c1ccccc1 OCC[*:1] CC[C@@H](CNC(=O)[C@H](C#N)c1ccccc1)[*:1]
CC[C@@H](CCO)CNC(=O)[C@H](C#N)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CCO)CNC(=O)[C@H](C#N)[*:1]
Cc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2cccnc2N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)[C@H]1CCCN1C(=O)C(=O)Nc1cccnc1[*:1]
Cc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2cccnc2N2CCOCC2)c1 Cc1cccc(c1)[*:1] O=C(Nc1cccnc1N1CCOCC1)C(=O)N1CCC[C@@H]1[*:1]
Cn1cc(CNC(=O)c2sc3c(Br)ccc(OC(F)F)c3c2Cl)cn1 Cn1cc(cn1)[*:1] O=C(NC[*:1])c1sc2c(Br)ccc(OC(F)F)c2c1Cl
Cn1cc(CNC(=O)c2sc3c(Br)ccc(OC(F)F)c3c2Cl)cn1 FC(F)O[*:1] Cn1cc(cn1)CNC(=O)c1sc2c(Br)ccc(c2c1Cl)[*:1]
Cn1cc(CNC(=O)c2sc3c(Br)ccc(OC(F)F)c3c2Cl)cn1 Cn1cc(cn1)C[*:1] O=C(N[*:1])c1sc2c(Br)ccc(OC(F)F)c2c1Cl
Cn1cc(CNC(=O)c2sc3c(Br)ccc(OC(F)F)c3c2Cl)cn1 FC(F)[*:1] Cn1cc(cn1)CNC(=O)c1sc2c(Br)ccc(O[*:1])c2c1Cl
CCOc1ccccc1C[C@@H]1C(=O)Nc2ccc(C)cc21 CCO[*:1] Cc1ccc2NC(=O)[C@@H](Cc3ccccc3[*:1])c2c1
Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](C(=O)c1cccc3ccccc13)CC(=O)N2 c1ccc2c(cccc2c1)[*:1] Cc1nn(-c2cccc(Cl)c2C)c2NC(=O)C[C@H](C(=O)[*:1])c12
Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](C(=O)c1cccc3ccccc13)CC(=O)N2 Cc1c(Cl)cccc1[*:1] Cc1nn(c2NC(=O)C[C@H](C(=O)c3cccc4ccccc34)c12)[*:1]
COCCCNC(=O)[C@H]1COc2ccc(NC(=O)c3ccccc3F)cc2C1 COCC[*:1] O=C(Nc1ccc2OC[C@@H](Cc2c1)C(=O)NC[*:1])c1ccccc1F
COCCCNC(=O)[C@H]1COc2ccc(NC(=O)c3ccccc3F)cc2C1 COCCCNC(=O)[*:1] O=C(Nc1ccc2OC[C@@H](Cc2c1)[*:1])c1ccccc1F
COCCCNC(=O)[C@H]1COc2ccc(NC(=O)c3ccccc3F)cc2C1 COCCC[*:1] O=C(Nc1ccc2OC[C@@H](Cc2c1)C(=O)N[*:1])c1ccccc1F
COCCCNC(=O)[C@H]1COc2ccc(NC(=O)c3ccccc3F)cc2C1 Fc1ccccc1[*:1] COCCCNC(=O)[C@H]1COc2ccc(cc2C1)NC(=O)[*:1]
COCCCNC(=O)[C@H]1COc2ccc(NC(=O)c3ccccc3F)cc2C1 COC[*:1] O=C(Nc1ccc2OC[C@@H](Cc2c1)C(=O)NCC[*:1])c1ccccc1F
O=C(N[C@H]1CCOc2ccccc21)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 O=S(=O)(N1CCOCC1)[*:1] O=C(N[C@H]1CCOc2ccccc21)c1ccc(F)c(c1)[*:1]
Cc1nc(CNC(=O)Nc2cc(-c3ccco3)ccc2F)c(C)s1 Cc1nc(C[*:1])c(C)s1 O=C(Nc1cc(ccc1F)-c1ccco1)N[*:1]
Cc1nc(CNC(=O)Nc2cc(-c3ccco3)ccc2F)c(C)s1 c1coc(c1)[*:1] Cc1nc(CNC(=O)Nc2cc(ccc2F)[*:1])c(C)s1
Cc1nc(CNC(=O)Nc2cc(-c3ccco3)ccc2F)c(C)s1 Cc1nc(c(C)s1)[*:1] O=C(NC[*:1])Nc1cc(ccc1F)-c1ccco1
Fc1ccc(CN(C(=S)Nc2ccccc2)C2CCCC2)cc1 C1CCC(C1)[*:1] Fc1ccc(cc1)CN(C(=S)Nc1ccccc1)[*:1]
Fc1ccc(CN(C(=S)Nc2ccccc2)C2CCCC2)cc1 c1ccc(cc1)[*:1] Fc1ccc(cc1)CN(C(=S)N[*:1])C1CCCC1
Fc1ccc(CN(C(=S)Nc2ccccc2)C2CCCC2)cc1 Fc1ccc(cc1)[*:1] S=C(Nc1ccccc1)N(C[*:1])C1CCCC1
COC(=O)NCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 COC(=O)NC[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)[*:1]
COC(=O)NCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 COC(=O)N[*:1] Cc1sc(nc1-c1ccc(F)cc1)NC(=O)C[*:1]
COC(=O)NCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 Fc1ccc(cc1)[*:1] COC(=O)NCC(=O)Nc1nc(c(C)s1)[*:1]
C[C@@H]1CCCC[C@H]1OC/C([O-])=N/S(=O)(=O)Cc1ccccc1C#N N#Cc1ccccc1[*:1] C[C@@H]1CCCC[C@H]1OC/C([O-])=N/S(=O)(=O)C[*:1]
C[C@H](NC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@H](NC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32)c1cccc(c1)[*:1]
CCCCC[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 C1CC1[*:1] CCCCC[C@@H](C)NC(=O)c1cc(nc2onc(C)c12)[*:1]
CCCCC[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 CCCCC[*:1] Cc1noc2nc(cc(C(=O)N[C@H](C)[*:1])c12)C1CC1
CCCCC[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 CCCCC[C@@H](C)[*:1] Cc1noc2nc(cc(C(=O)N[*:1])c12)C1CC1
CCCCC[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 CCC[*:1] Cc1noc2nc(cc(C(=O)N[C@H](C)CC[*:1])c12)C1CC1
CCCCC[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 CCCC[*:1] Cc1noc2nc(cc(C(=O)N[C@H](C)C[*:1])c12)C1CC1
Fc1ccc(-c2noc(CCCn3ccnn3)n2)c(Cl)c1 c1cn(C[*:1])nn1 Fc1ccc(-c2noc(CC[*:1])n2)c(Cl)c1
Fc1ccc(-c2noc(CCCn3ccnn3)n2)c(Cl)c1 c1cn(nn1)[*:1] Fc1ccc(-c2noc(CCC[*:1])n2)c(Cl)c1
Fc1ccc(-c2noc(CCCn3ccnn3)n2)c(Cl)c1 c1cn(CC[*:1])nn1 Fc1ccc(-c2noc(C[*:1])n2)c(Cl)c1
Cc1ccc([C@@H]2[C@H](C(=O)N[C@@H](CC[NH+](C)C)c3ccc(Cl)cc3)CCC(=O)N2C)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1[C@@H](CCC(=O)N1C)C(=O)N[C@@H](CC[NH+](C)C)[*:1]
Cc1ccc([C@@H]2[C@H](C(=O)N[C@@H](CC[NH+](C)C)c3ccc(Cl)cc3)CCC(=O)N2C)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)CC[C@@H](C(=O)N[C@@H](CC[NH+](C)C)c2ccc(Cl)cc2)[C@H]1[*:1]
Cc1cc(SCC(=O)N[C@H](C)C(=O)N(C)C)nc2ccccc12 CN(C)C(=O)[*:1] Cc1cc(nc2ccccc12)SCC(=O)N[C@H](C)[*:1]
Cc1cc(SCC(=O)N[C@H](C)C(=O)N(C)C)nc2ccccc12 C[C@H](C(=O)N(C)C)[*:1] Cc1cc(nc2ccccc12)SCC(=O)N[*:1]
COc1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2)cc1O c1ccc(cc1)[*:1] COc1ccc(cc1O)C(=O)NC[C@H]([NH3+])[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)CNc3cccc(C)c3C)CC2)cc1F Cc1cccc(c1C)[*:1] Cc1ccc(cc1F)C(=O)N1CCN(CC1)C(=O)CN[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)CNc3cccc(C)c3C)CC2)cc1F Cc1cccc(N[*:1])c1C Cc1ccc(cc1F)C(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)CNc3cccc(C)c3C)CC2)cc1F Cc1ccc(cc1F)[*:1] Cc1cccc(NCC(=O)N2CCN(CC2)C(=O)[*:1])c1C
CC(C)Cc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1 CC(C)[*:1] C[C@H]1Cc2cc(ccc2N1S(=O)(=O)c1ccc(cc1)C[*:1])S(N)(=O)=O
CC(C)Cc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1 NS(=O)(=O)[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)N1c2ccc(cc2C[C@@H]1C)[*:1]
CC(C)Cc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cc1 CC(C)C[*:1] C[C@H]1Cc2cc(ccc2N1S(=O)(=O)c1ccc(cc1)[*:1])S(N)(=O)=O
CCCC[C@H]1N=NC(=S)O1 CCC[*:1] S=C1N=N[C@H](C[*:1])O1
C[C@H]1CCCN(C(=O)Nc2cc(C(=O)N(C)C)ccc2F)CC1 CN(C)C(=O)[*:1] C[C@H]1CCCN(CC1)C(=O)Nc1cc(ccc1F)[*:1]
CCC[NH2+]C[C@@]1([C@H](C)CC)CCOC1 CC[C@@H](C)[*:1] CCC[NH2+]C[C@]1(CCOC1)[*:1]
CCC[NH2+]C[C@@]1([C@H](C)CC)CCOC1 CCC[*:1] CC[C@@H](C)[C@@]1(CCOC1)C[NH2+][*:1]
c1ccc2sc(CCC[NH2+]Cc3ccc(-n4cncn4)cc3)nc2c1 c1ncn(n1)[*:1] c1ccc2sc(CCC[NH2+]Cc3ccc(cc3)[*:1])nc2c1
CCC(=O)Nc1cccc(C(=O)N[C@H](CC)c2ccccc2OC)c1 COc1ccccc1[*:1] CCC(=O)Nc1cccc(c1)C(=O)N[C@H](CC)[*:1]
CCC(=O)Nc1cccc(C(=O)N[C@H](CC)c2ccccc2OC)c1 CCC(=O)N[*:1] CC[C@@H](NC(=O)c1cccc(c1)[*:1])c1ccccc1OC
Cc1cc(C)cc(C2=CCN(C(=O)c3cnn(-c4ccccn4)c3C)CC2)c1 Cc1cc(C)cc(c1)[*:1] Cc1c(cnn1-c1ccccn1)C(=O)N1CC=C(CC1)[*:1]
Cc1cc(C)cc(C2=CCN(C(=O)c3cnn(-c4ccccn4)c3C)CC2)c1 c1ccc(nc1)[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)c1cnn(c1C)[*:1]
Cc1nc2ccccc2n1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] Cc1nc2ccccc2n1S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(CSc2nncn2-c2ccccc2)nc1 CCO[*:1] c1ccc(cc1)-n1cnnc1SCc1ccc(cn1)[*:1]
CCOc1ccc(CSc2nncn2-c2ccccc2)nc1 c1ccc(cc1)[*:1] CCOc1ccc(CSc2nncn2[*:1])nc1
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3ccncc3)c2c1 c1cc(ccn1)[*:1] Cc1ccc2nc(cc(C(=O)NC[*:1])c2c1)-c1cccnc1
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3ccncc3)c2c1 c1cncc(c1)[*:1] Cc1ccc2nc(cc(C(=O)NCc3ccncc3)c2c1)[*:1]
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCc3ccncc3)c2c1 c1cc(ccn1)C[*:1] Cc1ccc2nc(cc(C(=O)N[*:1])c2c1)-c1cccnc1
COCCN(CCC#N)S(=O)(=O)c1ccc(Br)s1 N#CCC[*:1] COCCN(S(=O)(=O)c1ccc(Br)s1)[*:1]
COCCN(CCC#N)S(=O)(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] COCCN(CCC#N)S(=O)(=O)[*:1]
COCCN(CCC#N)S(=O)(=O)c1ccc(Br)s1 COCC[*:1] N#CCCN(S(=O)(=O)c1ccc(Br)s1)[*:1]
COCCN(CCC#N)S(=O)(=O)c1ccc(Br)s1 COC[*:1] N#CCCN(C[*:1])S(=O)(=O)c1ccc(Br)s1
COCCN(CCC#N)S(=O)(=O)c1ccc(Br)s1 N#CC[*:1] COCCN(C[*:1])S(=O)(=O)c1ccc(Br)s1
CCc1nc(Oc2cccc(F)c2)c2oc3ccccc3c2n1 Fc1cccc(c1)[*:1] CCc1nc(O[*:1])c2oc3ccccc3c2n1
COc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 COc1ccccc1[*:1] O=C(c1ccco1)N1CCN(CC1)S(=O)(=O)CCNC(=O)[*:1]
COc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] COc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(CC1)C(=O)[*:1]
COc1ccc(CCNC(=O)c2ccc(-c3nc4ccccc4n3C)s2)cc1OC COc1ccc(cc1OC)[*:1] Cn1c(nc2ccccc21)-c1ccc(s1)C(=O)NCC[*:1]
COc1ccc(CCNC(=O)c2ccc(-c3nc4ccccc4n3C)s2)cc1OC Cn1c(nc2ccccc21)[*:1] COc1ccc(cc1OC)CCNC(=O)c1ccc(s1)[*:1]
CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)c1 CC(C)O[*:1] C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1cccc(c1)[*:1]
CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)c1 CC(C)[*:1] C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1cccc(c1)O[*:1]
CC1([C@](C)(O)c2ccc(F)c(F)c2F)CC1 CC1(CC1)[*:1] C[C@](O)(c1ccc(F)c(F)c1F)[*:1]
O=C(NCCc1ccccc1)C(=O)Nc1ccc(Cn2cncn2)cc1 c1ccc(cc1)C[*:1] O=C(NC[*:1])C(=O)Nc1ccc(cc1)Cn1cncn1
O=C(NCCc1ccccc1)C(=O)Nc1ccc(Cn2cncn2)cc1 c1ccc(cc1)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(cc1)Cn1cncn1
O=C(NCCc1ccccc1)C(=O)Nc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 O=C(NCCc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
O=C(NCCc1ccccc1)C(=O)Nc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] O=C(NCCc1ccccc1)C(=O)Nc1ccc(cc1)C[*:1]
O=C(NCCc1ccccc1)C(=O)Nc1ccc(Cn2cncn2)cc1 c1ccc(cc1)CC[*:1] O=C(Nc1ccc(cc1)Cn1cncn1)C(=O)N[*:1]
CS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 CS(=O)(=O)c1ccccc1[*:1] O=C(NCc1ccccc1-c1ccc(cc1)C[NH+]1CCCC1)[*:1]
CS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 CS(=O)(=O)[*:1] O=C(NCc1ccccc1-c1ccc(cc1)C[NH+]1CCCC1)c1ccccc1[*:1]
CCCc1cc(C(=O)N2CCCC[C@@H]2c2ccn(C)n2)[nH]n1 Cn1ccc(n1)[*:1] CCCc1cc([nH]n1)C(=O)N1CCCC[C@H]1[*:1]
CCCc1cc(C(=O)N2CCCC[C@@H]2c2ccn(C)n2)[nH]n1 CCC[*:1] Cn1ccc(n1)[C@H]1CCCCN1C(=O)c1cc(n[nH]1)[*:1]
CC(C)(C(=O)OC[C@H]1CCCCO1)S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC(C)(C(=O)OC[C@H]1CCCCO1)S(=O)(=O)[*:1]
CC(C)(C(=O)OC[C@H]1CCCCO1)S(=O)(=O)c1ccc(Br)cc1 C1CC[C@@H](OC1)[*:1] CC(C)(C(=O)OC[*:1])S(=O)(=O)c1ccc(Br)cc1
CC(C)(C(=O)OC[C@H]1CCCCO1)S(=O)(=O)c1ccc(Br)cc1 C1CC[C@H](C[*:1])OC1 CC(C)(C(=O)O[*:1])S(=O)(=O)c1ccc(Br)cc1
COc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2F)c2ccccc2)cc1 Fc1ccccc1C[*:1] COc1ccc(cc1)NC(=O)[C@@H]([NH2+][*:1])c1ccccc1
COc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2F)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]([NH2+]Cc1ccccc1F)c1ccccc1
COc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2F)c2ccccc2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)NC(=O)[C@@H]([NH2+]C[*:1])c1ccccc1
COc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2F)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@@H]([NH2+]Cc1ccccc1F)[*:1]
O=C(NCCCOC1CCOCC1)Nc1cncc2ccccc12 C1CC(CCO1)[*:1] O=C(NCCCO[*:1])Nc1cncc2ccccc12
O=C(NCCCOC1CCOCC1)Nc1cncc2ccccc12 C1CC(CCO1)OC[*:1] O=C(NCC[*:1])Nc1cncc2ccccc12
O=C(NCCCOC1CCOCC1)Nc1cncc2ccccc12 C1CC(CCO1)O[*:1] O=C(NCCC[*:1])Nc1cncc2ccccc12
COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C(N)=O NC(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1ccccc1Cl
COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C(N)=O Clc1ccccc1[*:1] COc1ccc(cc1C(N)=O)S(=O)(=O)N[*:1]
Cc1nc(CN(C)C(=O)[C@H]2CCCCC[C@@H]2[NH3+])n[nH]1 Cc1nc(n[nH]1)[*:1] CN(C[*:1])C(=O)[C@H]1CCCCC[C@@H]1[NH3+]
COc1cc2c(cc1OC)[C@@H](CCCO)[NH2+]C(C)(C)C2 OCC[*:1] COc1cc2CC(C)(C)[NH2+][C@H](C[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@@H](CCCO)[NH2+]C(C)(C)C2 OCCC[*:1] COc1cc2CC(C)(C)[NH2+][C@H](c2cc1OC)[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cccc(CS(C)(=O)=O)c2)C1 CS(=O)(=O)C[*:1] CCOC[C@@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cccc(CS(C)(=O)=O)c2)C1 CS(=O)(=O)[*:1] CCOC[C@@H]1CCCN(C1)C(=O)c1cccc(c1)C[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cccc(CS(C)(=O)=O)c2)C1 CCO[*:1] CS(=O)(=O)Cc1cccc(c1)C(=O)N1CCC[C@H](C1)C[*:1]
CCOC[C@@H]1CCCN(C(=O)c2cccc(CS(C)(=O)=O)c2)C1 CCOC[*:1] CS(=O)(=O)Cc1cccc(c1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1C1CC1 c1ncn(n1)[*:1] Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2[*:1])n1C1CC1
Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1C1CC1 C1CC1[*:1] Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1[*:1]
COc1ccc2c(ccn2CCNC(=O)CNC(=O)c2cnccn2)c1 c1cnc(cn1)[*:1] COc1ccc2c(ccn2CCNC(=O)CNC(=O)[*:1])c1
NC(=O)c1c(F)cccc1N1CC([NH3+])C1 NC(=O)[*:1] [NH3+]C1CN(C1)c1cccc(F)c1[*:1]
NC(=O)c1c(F)cccc1N1CC([NH3+])C1 [NH3+]C1CN(C1)[*:1] NC(=O)c1c(F)cccc1[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O C[C@@H]1C[C@H]1[*:1] CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)[*:1]
Cc1cnc([C@@H](C)NC(=O)C(=O)Nc2c(F)cccc2F)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)C(=O)Nc1c(F)cccc1F)[*:1]
COc1ccc(OC)c(C[C@@]2(NC(=O)c3ccccc3)N=C3C=CC=CN3C2=O)c1 COc1ccc(OC)c(c1)[*:1] O=C(N[C@]1(C[*:1])N=C2C=CC=CN2C1=O)c1ccccc1
COc1ccc(OC)c(C[C@@]2(NC(=O)c3ccccc3)N=C3C=CC=CN3C2=O)c1 O=C(N[*:1])c1ccccc1 COc1ccc(OC)c(c1)C[C@]1(N=C2C=CC=CN2C1=O)[*:1]
COc1ccc(OC)c(C[C@@]2(NC(=O)c3ccccc3)N=C3C=CC=CN3C2=O)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)C[C@]1(N=C2C=CC=CN2C1=O)NC(=O)[*:1]
CC1(C)CNC(=O)c2nc(-c3ccc(N4CCCC4=O)cc3)[nH]c2C1 O=C1CCCN1[*:1] CC1(C)CNC(=O)c2nc([nH]c2C1)-c1ccc(cc1)[*:1]
CSC[C@@H](C)NC(=O)N1CCC[C@H](NC(=O)C(C)C)C1 CSC[C@@H](C)[*:1] CC(C)C(=O)N[C@H]1CCCN(C1)C(=O)N[*:1]
CSC[C@@H](C)NC(=O)N1CCC[C@H](NC(=O)C(C)C)C1 CC(C)C(=O)N[*:1] CSC[C@@H](C)NC(=O)N1CCC[C@H](C1)[*:1]
CSC[C@@H](C)NC(=O)N1CCC[C@H](NC(=O)C(C)C)C1 CSC[*:1] CC(C)C(=O)N[C@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
CSC[C@@H](C)NC(=O)N1CCC[C@H](NC(=O)C(C)C)C1 CC(C)[*:1] CSC[C@@H](C)NC(=O)N1CCC[C@@H](C1)NC(=O)[*:1]
CN(C)C(=O)CCNC(=O)Nc1ccccc1N1CCCC1=O CN(C)C(=O)CC[*:1] O=C(Nc1ccccc1N1CCCC1=O)N[*:1]
CN(C)C(=O)CCNC(=O)Nc1ccccc1N1CCCC1=O O=C1CCCN1[*:1] CN(C)C(=O)CCNC(=O)Nc1ccccc1[*:1]
CN(C)C(=O)CCNC(=O)Nc1ccccc1N1CCCC1=O CN(C)C(=O)[*:1] O=C(NCC[*:1])Nc1ccccc1N1CCCC1=O
CN(C)C(=O)CCNC(=O)Nc1ccccc1N1CCCC1=O CN(C)C(=O)C[*:1] O=C(NC[*:1])Nc1ccccc1N1CCCC1=O
Cn1cc([C@H]2C[C@H]2C(=O)N2CCC(CN3CCOCC3)CC2)cn1 C1CN(CCO1)[*:1] Cn1cc(cn1)[C@H]1C[C@H]1C(=O)N1CCC(CC1)C[*:1]
Cn1cc([C@H]2C[C@H]2C(=O)N2CCC(CN3CCOCC3)CC2)cn1 Cn1cc(cn1)[*:1] O=C([C@@H]1C[C@@H]1[*:1])N1CCC(CC1)CN1CCOCC1
Cn1cc([C@H]2C[C@H]2C(=O)N2CCC(CN3CCOCC3)CC2)cn1 C1CN(CCO1)C[*:1] Cn1cc(cn1)[C@H]1C[C@H]1C(=O)N1CCC(CC1)[*:1]
Cc1nc(-c2ccc(NC[C@H]3CC[C@@H](C(=O)N(C)C)O3)nc2)[nH]c(=O)c1C CN(C)C(=O)[*:1] Cc1nc([nH]c(=O)c1C)-c1ccc(nc1)NC[C@H]1CC[C@@H](O1)[*:1]
Cc1nc(-c2ccc(NC[C@H]3CC[C@@H](C(=O)N(C)C)O3)nc2)[nH]c(=O)c1C Cc1nc([nH]c(=O)c1C)[*:1] CN(C)C(=O)[C@@H]1CC[C@H](CNc2ccc(cn2)[*:1])O1
O=[S@](Cc1nnnn1-c1ccccc1)c1ncccc1Cl c1ccc(cc1)[*:1] O=[S@](Cc1nnnn1[*:1])c1ncccc1Cl
O=[S@](Cc1nnnn1-c1ccccc1)c1ncccc1Cl Clc1cccnc1[*:1] O=[S@](Cc1nnnn1-c1ccccc1)[*:1]
CNS(=O)(=O)c1ccc(N[C@@H](C)CCc2cccn2C)nc1 Cn1cccc1C[*:1] CNS(=O)(=O)c1ccc(nc1)N[C@@H](C)C[*:1]
CNS(=O)(=O)c1ccc(N[C@@H](C)CCc2cccn2C)nc1 CNS(=O)(=O)[*:1] C[C@@H](CCc1cccn1C)Nc1ccc(cn1)[*:1]
CNS(=O)(=O)c1ccc(N[C@@H](C)CCc2cccn2C)nc1 Cn1cccc1[*:1] CNS(=O)(=O)c1ccc(nc1)N[C@@H](C)CC[*:1]
CC(C)NC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 CC(C)[*:1] O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)N[*:1]
C[C@H](O)CNC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 C[C@H](O)C[*:1] O=C(N[*:1])c1cc(OCC(F)(F)F)c2ccccc2n1
C[C@H](O)CNC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 C[C@H](O)CNC(=O)[*:1] FC(F)(F)COc1cc(nc2ccccc12)[*:1]
C[C@H](O)CNC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)CO[*:1] C[C@H](O)CNC(=O)c1cc(c2ccccc2n1)[*:1]
C[C@H](O)CNC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)C[*:1] C[C@H](O)CNC(=O)c1cc(O[*:1])c2ccccc2n1
C[C@H](O)CNC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 FC(F)(F)[*:1] C[C@H](O)CNC(=O)c1cc(OC[*:1])c2ccccc2n1
C[C@H](O)CNC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 C[C@H](O)[*:1] O=C(NC[*:1])c1cc(OCC(F)(F)F)c2ccccc2n1
COc1ccccc1[C@@H](C)[NH2+]CC1CCCCC1 C1CCC(CC1)[*:1] COc1ccccc1[C@@H](C)[NH2+]C[*:1]
O=[N+]([O-])c1c(Nc2cccc(C(F)(F)F)c2)ccc2nonc12 FC(F)(F)[*:1] O=[N+]([O-])c1c(ccc2nonc12)Nc1cccc(c1)[*:1]
O=[N+]([O-])c1c(Nc2cccc(C(F)(F)F)c2)ccc2nonc12 O=[N+]([O-])[*:1] FC(F)(F)c1cccc(c1)Nc1ccc2nonc2c1[*:1]
COCc1nc(C)c(C(=O)N(C)CCC(=O)OC)s1 COC[*:1] COC(=O)CCN(C)C(=O)c1sc(nc1C)[*:1]
COCc1nc(C)c(C(=O)N(C)CCC(=O)OC)s1 COC(=O)[*:1] COCc1nc(C)c(s1)C(=O)N(C)CC[*:1]
COCc1nc(C)c(C(=O)N(C)CCC(=O)OC)s1 COC(=O)C[*:1] COCc1nc(C)c(s1)C(=O)N(C)C[*:1]
COCc1nc(C)c(C(=O)N(C)CCC(=O)OC)s1 COC(=O)CC[*:1] COCc1nc(C)c(s1)C(=O)N(C)[*:1]
Cc1cc(NC(=O)[C@H](C)Sc2ccc(O)cc2)on1 Cc1cc(on1)[*:1] C[C@H](Sc1ccc(O)cc1)C(=O)N[*:1]
CC[C@@H]1c2ccsc2CCN1C(=O)[C@H](OC)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1c2ccsc2CCN1C(=O)[C@H](OC)[*:1]
CCN(CC)C(=O)C[C@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 CCN(CC)C(=O)[*:1] C[C@@H](C[*:1])[NH2+]C1CCN(CC1)C(=O)NC1CCCCC1
CCN(CC)C(=O)C[C@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] CCN(CC)C(=O)C[C@H](C)[NH2+]C1CCN(CC1)C(=O)N[*:1]
CCN(CC)C(=O)C[C@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 CCN(CC)C(=O)C[*:1] C[C@H]([NH2+]C1CCN(CC1)C(=O)NC1CCCCC1)[*:1]
COc1cc([C@@H](O)[C@H](C)[C@H](C)C(=O)[O-])cc(OC)c1OC O=C([O-])[*:1] COc1cc(cc(OC)c1OC)[C@@H](O)[C@H](C)[C@H](C)[*:1]
CSc1ccc(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)cc1 Cc1nnc(o1)[*:1] CSc1ccc(cc1)CN1Cc2ccccc2C[C@H]1[*:1]
CSc1ccc(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)cc1 CSc1ccc(cc1)[*:1] Cc1nnc(o1)[C@H]1Cc2ccccc2CN1C[*:1]
C[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)[*:1]
CNS(=O)(=O)c1ccc(C)c(C(=O)NCC[C@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(C)c(c1)C(=O)NCC[C@H](O)[*:1]
CNS(=O)(=O)c1ccc(C)c(C(=O)NCC[C@H](O)c2ccccc2)c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)NCC[C@H](O)c1ccccc1)[*:1]
CNS(=O)(=O)c1ccc(C)c(C(=O)NCC[C@H](O)c2ccccc2)c1 O[C@H](c1ccccc1)[*:1] CNS(=O)(=O)c1ccc(C)c(c1)C(=O)NCC[*:1]
C[C@@H](NC(=O)C[S@](=O)C1CCCCC1)c1ccc(Cl)c(Cl)c1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)C[S@](=O)[*:1])c1ccc(Cl)c(Cl)c1
Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)cc1 Cc1nccn1[*:1] C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(cc1)[*:1]
Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)cc1 C1CC(CCO1)[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)[NH2+]C[C@H](O)[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)N1CCCc2ccccc21 CCO[*:1] O=S(=O)(c1cc(Br)ccc1[*:1])N1CCCc2ccccc21
CCCc1cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n(C)n1 c1coc(c1)[*:1] CCCc1cc(NC(=O)NC[C@@H]([NH+]2CCCC2)[*:1])n(C)n1
CCCc1cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[*:1]
CC[C@@H](C)NC(=O)NC1CCCCC1 CC[C@@H](C)[*:1] O=C(NC1CCCCC1)N[*:1]
CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2ccncc2)cc1 C(=C[*:1])c1ccncc1 CC(C)(C)c1ccc(cc1)OCCNC(=O)[*:1]
CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2ccncc2)cc1 c1cc(ccn1)[*:1] CC(C)(C)c1ccc(cc1)OCCNC(=O)C=C[*:1]
CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2ccncc2)cc1 CC(C)(C)[*:1] O=C(/C=C/c1ccncc1)NCCOc1ccc(cc1)[*:1]
CN(C)c1ccccc1C(=O)N1CCO[C@@H](c2cc3cc(F)ccc3cn2)C1 CN(C)[*:1] O=C(c1ccccc1[*:1])N1CCO[C@H](C1)c1cc2cc(F)ccc2cn1
CN(C)c1ccccc1C(=O)N1CCO[C@@H](c2cc3cc(F)ccc3cn2)C1 CN(C)c1ccccc1[*:1] O=C(N1CCO[C@H](C1)c1cc2cc(F)ccc2cn1)[*:1]
CCC[C@]1(C(=O)[O-])CCN(C(=O)c2cccnc2C)C1 CCC[*:1] Cc1ncccc1C(=O)N1CC[C@](C1)(C(=O)[O-])[*:1]
CCC[C@]1(C(=O)[O-])CCN(C(=O)c2cccnc2C)C1 O=C([O-])[*:1] CCC[C@@]1(CCN(C1)C(=O)c1cccnc1C)[*:1]
CSCC[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F CSCC[C@H](C)[*:1] C[C@H](c1ccccc1F)N(C(=O)N[*:1])C1CC1
CSCC[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F CSC[*:1] C[C@@H](C[*:1])NC(=O)N(C1CC1)[C@H](C)c1ccccc1F
CSCC[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F C1CC1[*:1] CSCC[C@H](C)NC(=O)N([C@H](C)c1ccccc1F)[*:1]
CSCC[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F Fc1ccccc1[*:1] CSCC[C@H](C)NC(=O)N(C1CC1)[C@H](C)[*:1]
CSCC[C@H](C)NC(=O)N(C1CC1)[C@H](C)c1ccccc1F CSCC[*:1] C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccccc1F)[*:1]
Cc1ncc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 c1cc(ccn1)[*:1] Cc1ncc(cn1)CN1CCc2c(C1)nc([nH]c2=O)[*:1]
Cc1ncc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 Cc1ncc(cn1)C[*:1] O=c1[nH]c(nc2CN(CCc21)[*:1])-c1ccncc1
Cc1ncc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 Cc1ncc(cn1)[*:1] O=c1[nH]c(nc2CN(CCc21)C[*:1])-c1ccncc1
CC(C)C[NH2+]CC[C@](C)(O)Cc1cc(F)cc(Br)c1 CC(C)C[*:1] C[C@](O)(CC[NH2+][*:1])Cc1cc(F)cc(Br)c1
CC(C)C[NH2+]CC[C@](C)(O)Cc1cc(F)cc(Br)c1 CC(C)[*:1] C[C@](O)(CC[NH2+]C[*:1])Cc1cc(F)cc(Br)c1
Cc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1C c1cncc(c1)[*:1] Cc1ccc(cc1C)NC(=O)c1cc(on1)[*:1]
NC(=O)C1(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCOCC1 c1coc(c1)[*:1] NC(=O)C1(CCOCC1)CNC(=O)[C@H]1CC(=O)N(C1)C[*:1]
NC(=O)C1(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCOCC1 c1coc(c1)C[*:1] NC(=O)C1(CCOCC1)CNC(=O)[C@H]1CC(=O)N(C1)[*:1]
NC(=O)C1(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCOCC1 NC(=O)[*:1] O=C(NCC1(CCOCC1)[*:1])[C@H]1CC(=O)N(Cc2ccco2)C1
COc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl COc1ccc(cc1Cl)[*:1] N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])C(=O)N[*:1]
COc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl O=[N+]([O-])[*:1] COc1ccc(cc1Cl)NC(=O)/C(C#N)=C/c1cc2OCOc2cc1[*:1]
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CCCCC1 Fc1ccc(cc1)[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])N1CCCCC1
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=S(=O)(c1ccccc1)N(C[*:1])c1ccc(F)cc1
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CCCCC1 c1ccc(cc1)[*:1] O=C(CN(c1ccc(F)cc1)S(=O)(=O)[*:1])N1CCCCC1
CN1CC[C@H](NC(=O)N[C@@H]2C[C@@H]3CCCc4cccc2c43)C1=O CN1CC[C@H](C1=O)[*:1] O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)N[*:1]
CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 Fc1ccc(cc1)C[*:1] CN(C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1)[*:1]
CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 Fc1ccc(cc1)[*:1] CN(C[*:1])C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1
Cc1nc(C)c(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)o1 C1CCN(C1)[*:1] Cc1nc(C)c(o1)C(=O)N[C@H](C)CC(=O)Nc1cccc(c1)[*:1]
Cc1nc(C)c(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)o1 Cc1nc(C)c(o1)[*:1] C[C@H](CC(=O)Nc1cccc(c1)N1CCCC1)NC(=O)[*:1]
CCC[NH+]1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC[NH+]1CCN(CC1)C(=O)c1cc(nn1[*:1])C1CC1
CCC[NH+]1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 CCC[*:1] O=C(c1cc(nn1-c1ccccc1)C1CC1)N1CC[NH+](CC1)[*:1]
CCC[NH+]1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 C1CC1[*:1] CCC[NH+]1CCN(CC1)C(=O)c1cc(nn1-c1ccccc1)[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](O)CC(C)(C)CNC(=O)N1CCN(CC1)CC[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] C[C@H](O)CC(C)(C)CNC(=O)N1CCN(CC1)[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N1CCN(CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@H](O)CC(C)(C)CNC(=O)N1CCN(CC1)C[*:1]
Cc1noc(C)c1[C@H](C)NS(=O)(=O)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] Cc1noc(C)c1[C@H](C)NS(=O)(=O)[C@@H](C)[*:1]
COC(=O)[C@H]1CN/C(=N\C(=O)CCC2=C(C)[C@H](C#N)C(=O)N=C2C)S1 COC(=O)[*:1] CC1=NC(=O)[C@@H](C#N)C(C)=C1CCC(=O)/N=C1\NC[C@@H](S1)[*:1]
COc1ccc(N2C[C@@H](NC(=O)Cn3ncc4ccccc4c3=O)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Cn1ncc2ccccc2c1=O)N[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2CCN(C(=O)CCn3ncc4ccccc43)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CCn1ncc2ccccc21)N1CCN(CC1)C[*:1]
Cc1ccc(CN2CCN(C(=O)CCn3ncc4ccccc43)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(CCn1ncc2ccccc21)N1CCN(CC1)[*:1]
Cc1ccc(CN2CCN(C(=O)CCn3ncc4ccccc43)CC2)cc1 c1ccc2c(c1)cnn2[*:1] Cc1ccc(cc1)CN1CCN(CC1)C(=O)CC[*:1]
CCOc1ncccc1CNS(=O)(=O)c1ccc(C#N)cc1 CCO[*:1] N#Cc1ccc(cc1)S(=O)(=O)NCc1cccnc1[*:1]
O=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1cccnc1OCC(F)F FC(F)[*:1] O=C(Nc1ccc(c(F)c1)[N+](=O)[O-])c1cccnc1OC[*:1]
O=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1cccnc1OCC(F)F O=[N+]([O-])[*:1] O=C(Nc1ccc(c(F)c1)[*:1])c1cccnc1OCC(F)F
O=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1cccnc1OCC(F)F FC(F)C[*:1] O=C(Nc1ccc(c(F)c1)[N+](=O)[O-])c1cccnc1O[*:1]
O=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1cccnc1OCC(F)F FC(F)CO[*:1] O=C(Nc1ccc(c(F)c1)[N+](=O)[O-])c1cccnc1[*:1]
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)C1CC1)[*:1]
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1CCOC1 C1CC1[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)[*:1])[C@@H]1CCOC1
O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1CCOC1 FC(F)(F)[*:1] O=C(N[C@@H](c1cccc(c1)[*:1])C1CC1)[C@@H]1CCOC1
CSCC(=O)NNC(=O)N[C@H](Cc1ccccc1)C(C)(C)C CSC[*:1] CC(C)(C)[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[*:1]
CSCC(=O)NNC(=O)N[C@H](Cc1ccccc1)C(C)(C)C c1ccc(cc1)[*:1] CSCC(=O)NNC(=O)N[C@H](C[*:1])C(C)(C)C
CSCC(=O)NNC(=O)N[C@H](Cc1ccccc1)C(C)(C)C c1ccc(cc1)C[*:1] CSCC(=O)NNC(=O)N[C@H](C(C)(C)C)[*:1]
CSCC(=O)NNC(=O)N[C@H](Cc1ccccc1)C(C)(C)C CC(C)(C)[*:1] CSCC(=O)NNC(=O)N[C@H](Cc1ccccc1)[*:1]
CCCOC[C@H]1CCC(=O)[C@@H]1C CCCO[*:1] C[C@H]1C(=O)CC[C@@H]1C[*:1]
CCCOC[C@H]1CCC(=O)[C@@H]1C CCC[*:1] C[C@H]1C(=O)CC[C@@H]1CO[*:1]
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1cccs1
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 c1csc(c1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1cnccc1CNC(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C Fc1ccc(cc1)[*:1] Cc1cnccc1CNC(=O)[C@@H]([NH+](C)C)[*:1]
Cc1cnccc1CNC(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C Cc1cnccc1[*:1] C[NH+](C)[C@@H](C(=O)NC[*:1])c1ccc(F)cc1
C[NH+](CCOCCO)C1c2ccccc2-c2ccccc21 OCCOC[*:1] C[NH+](C[*:1])C1c2ccccc2-c2ccccc21
C[NH+](CCOCCO)C1c2ccccc2-c2ccccc21 OCC[*:1] C[NH+](CCO[*:1])C1c2ccccc2-c2ccccc21
C[NH+](CCOCCO)C1c2ccccc2-c2ccccc21 OCCO[*:1] C[NH+](CC[*:1])C1c2ccccc2-c2ccccc21
Cc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4O)nc32)c1 Cc1cccc(c1)[*:1] Cc1c(C)n(c2ncn3nc(nc3c12)-c1ccccc1O)[*:1]
Cc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4O)nc32)c1 Oc1ccccc1[*:1] Cc1cccc(c1)-n1c(C)c(C)c2c1ncn1nc(nc21)[*:1]
COC[C@@H]([NH2+]C[C@]1(O)CCOC1)C(C)C CC(C)[*:1] COC[C@@H]([NH2+]C[C@]1(O)CCOC1)[*:1]
COC[C@@H]([NH2+]C[C@]1(O)CCOC1)C(C)C COC[*:1] CC(C)[C@H]([NH2+]C[C@]1(O)CCOC1)[*:1]
COC(=O)[C@H](C)NC(=O)C1(c2cccs2)CCCCC1 c1csc(c1)[*:1] COC(=O)[C@H](C)NC(=O)C1(CCCCC1)[*:1]
COC(=O)[C@H](C)NC(=O)C1(c2cccs2)CCCCC1 COC(=O)[C@H](C)[*:1] O=C(N[*:1])C1(CCCCC1)c1cccs1
COC(=O)[C@H](C)NC(=O)C1(c2cccs2)CCCCC1 COC(=O)[*:1] C[C@H](NC(=O)C1(CCCCC1)c1cccs1)[*:1]
CC(C)(C(=O)N1CCN(CCN2CCOC2=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C(=O)N1CCN(CCN2CCOC2=O)CC1)[*:1]
CC(C)(C(=O)N1CCN(CCN2CCOC2=O)CC1)c1ccccc1 O=C1OCCN1[*:1] CC(C)(C(=O)N1CCN(CC1)CC[*:1])c1ccccc1
CC(C)(C(=O)N1CCN(CCN2CCOC2=O)CC1)c1ccccc1 O=C1OCCN1CC[*:1] CC(C)(C(=O)N1CCN(CC1)[*:1])c1ccccc1
CC(C)(C(=O)N1CCN(CCN2CCOC2=O)CC1)c1ccccc1 O=C1OCCN1C[*:1] CC(C)(C(=O)N1CCN(CC1)C[*:1])c1ccccc1
N#C/C(=C\c1ccco1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 c1coc(c1)[*:1] N#CC(=C[*:1])C(=O)Nc1cccc(C#Cc2ccccn2)c1
N#C/C(=C\c1ccco1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 c1ccc(nc1)[*:1] N#C/C(=C\c1ccco1)C(=O)Nc1cccc(C#C[*:1])c1
N#C/C(=C\c1ccco1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 C(#C[*:1])c1ccccn1 N#C/C(=C\c1ccco1)C(=O)Nc1cccc(c1)[*:1]
CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1 Clc1ccc(nc1)[*:1] CNC(=O)C[NH+]1CCC(CC1)NC(=O)N1CCN(CC1)[*:1]
CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1 CNC(=O)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])N1CCN(CC1)c1ccc(Cl)cn1
CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1 CNC(=O)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])N1CCN(CC1)c1ccc(Cl)cn1
O=C(NCCc1csc(-c2ccccc2)n1)Nc1ccc2[nH]ccc2c1 c1ccc(cc1)[*:1] O=C(NCCc1csc(n1)[*:1])Nc1ccc2[nH]ccc2c1
Cc1cc(C)nc(SCCn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)n1 Cc1cc(C)nc(n1)[*:1] Cn1c(=O)c2c(nc(N3CCOCC3)n2CCS[*:1])n(C)c1=O
Cc1cc(C)nc(SCCn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)n1 Cc1cc(C)nc(n1)S[*:1] Cn1c(=O)c2c(nc(N3CCOCC3)n2CC[*:1])n(C)c1=O
Cc1cc(C)nc(SCCn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)n1 C1CN(CCO1)[*:1] Cc1cc(C)nc(n1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
Cc1cc(C)nc(SCCn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)n1 Cc1cc(C)nc(n1)SC[*:1] Cn1c(=O)c2c(nc(N3CCOCC3)n2C[*:1])n(C)c1=O
CCOc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)o2)cc1 CCO[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nnc(o1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)o2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1nnc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])o1
CCOc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)o2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nnc(o1)[*:1]
CN(C)c1ccc(-c2noc(C(=O)NCCC[NH+]3CCCC3)n2)cc1 CN(C)[*:1] O=C(NCCC[NH+]1CCCC1)c1nc(no1)-c1ccc(cc1)[*:1]
Cc1cc(CC[C@@H](C)Cl)c2ccccc2n1 C[C@@H](Cl)[*:1] Cc1cc(CC[*:1])c2ccccc2n1
Cc1cc(CC[C@@H](C)Cl)c2ccccc2n1 C[C@@H](Cl)C[*:1] Cc1cc(C[*:1])c2ccccc2n1
Cc1cc(CC[C@@H](C)Cl)c2ccccc2n1 C[C@@H](Cl)CC[*:1] Cc1cc(c2ccccc2n1)[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 C=CC[*:1] C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1[*:1])C(=O)Nc1ccc2OCOc2c1
C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 c1cc2OCOc2cc1[*:1] C=CCn1c(nnc1-c1ccc(Cl)cc1)S[C@H](C)C(=O)N[*:1]
C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])S[C@H](C)C(=O)Nc1ccc2OCOc2c1
Cc1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)nn1C Cc1cc(nn1C)[*:1] CN1C(=O)C[C@@H](NC(=O)C(=O)N[*:1])[C@@H]1c1ccc(Cl)cc1
Cc1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)nn1C Clc1ccc(cc1)[*:1] Cc1cc(nn1C)NC(=O)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1[*:1]
O=C1c2cccc(N3CCN(C/C=C/c4ccco4)CC3)c2C(=O)N1Cc1ccc2c(c1)OCO2 C(=C/c1ccco1)\C[*:1] O=C1c2cccc(c2C(=O)N1Cc1ccc2OCOc2c1)N1CCN(CC1)[*:1]
O=C1c2cccc(N3CCN(C/C=C/c4ccco4)CC3)c2C(=O)N1Cc1ccc2c(c1)OCO2 c1coc(c1)[*:1] O=C1c2cccc(c2C(=O)N1Cc1ccc2OCOc2c1)N1CCN(CC=C[*:1])CC1
O=C1c2cccc(N3CCN(C/C=C/c4ccco4)CC3)c2C(=O)N1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1C[*:1] O=C1c2cccc(c2C(=O)N1[*:1])N1CCN(C/C=C/c2ccco2)CC1
O=C1c2cccc(N3CCN(C/C=C/c4ccco4)CC3)c2C(=O)N1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1c2cccc(c2C(=O)N1C[*:1])N1CCN(C/C=C/c2ccco2)CC1
O=C1c2cccc(N3CCN(C/C=C/c4ccco4)CC3)c2C(=O)N1Cc1ccc2c(c1)OCO2 C(=C[*:1])c1ccco1 O=C1c2cccc(c2C(=O)N1Cc1ccc2OCOc2c1)N1CCN(CC1)C[*:1]
O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=[N+]([O-])c1ccccc1C[NH+]1CCN(CC1)C[*:1]
O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2cccc(F)c2)CC1 Fc1cccc(c1)C[*:1] O=[N+]([O-])c1ccccc1C[NH+]1CCN(CC1)[*:1]
O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2cccc(F)c2)CC1 O=[N+]([O-])[*:1] Fc1cccc(c1)CN1CC[NH+](CC1)Cc1ccccc1[*:1]
Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)NCc3ccco3)C2)cc1 Cc1ccc(cc1)S[*:1] O=C(NCc1ccco1)[C@H]1CCCN(C1)c1nccnc1[*:1]
Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)NCc3ccco3)C2)cc1 O=C(NCc1ccco1)[*:1] Cc1ccc(cc1)Sc1nccnc1N1CCC[C@H](C1)[*:1]
Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)NCc3ccco3)C2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)Sc1nccnc1N1CCC[C@@H](C1)C(=O)NC[*:1]
Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)NCc3ccco3)C2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)Sc1nccnc1N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)NCc3ccco3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccco1)[C@H]1CCCN(C1)c1nccnc1S[*:1]
Cc1cccc(CN2CCCN(c3ccc(C(=O)N4CCc5ccccc5C4)cc3)C2=O)c1 Cc1cccc(c1)[*:1] O=C(c1ccc(cc1)N1CCCN(C[*:1])C1=O)N1CCc2ccccc2C1
Cc1cccc(CN2CCCN(c3ccc(C(=O)N4CCc5ccccc5C4)cc3)C2=O)c1 Cc1cccc(c1)C[*:1] O=C(c1ccc(cc1)N1CCCN(C1=O)[*:1])N1CCc2ccccc2C1
CCC[C@](C)(O)C(=O)NCc1cc(F)cc(OC)c1 CCC[*:1] COc1cc(F)cc(c1)CNC(=O)[C@](C)(O)[*:1]
O=C(NNC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)NC1CC1 C1CC1[*:1] O=C(NNC(=O)C1(CCCC1)c1ccc(F)cc1)C(=O)N[*:1]
O=C(NNC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)NC1CC1 Fc1ccc(cc1)[*:1] O=C(NNC(=O)C1(CCCC1)[*:1])C(=O)NC1CC1
O=C(N1CCC2(CC1)OCCO2)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1 Clc1ccc(cc1)[*:1] O=C(N1CCC2(CC1)OCCO2)C1(CC1)c1cc(on1)[*:1]
O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)c1ccc([N+](=O)[O-])cc1Cl C1CCC(C1)[*:1] O=C(N[C@H]1CCCC[C@@H]1O[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)c1ccc(cc1Cl)[*:1]
O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)c1ccc([N+](=O)[O-])cc1Cl C1CCC(C1)O[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])c1ccc(cc1Cl)[N+](=O)[O-]
Cc1nn(C)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1 Cc1nn(C)cc1[*:1] O=S(=O)(N1CCN(CC1)c1ccccn1)[*:1]
Cc1nn(C)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1 c1ccc(nc1)[*:1] Cc1nn(C)cc1S(=O)(=O)N1CCN(CC1)[*:1]
O=C(NNC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)[O-])c1ccccc1Cl Clc1ccccc1[*:1] O=C(NNC(=O)[*:1])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)[O-]
O=C(NNC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)[O-])c1ccccc1Cl O=C([O-])[*:1] O=C(NNC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1[*:1])c1ccccc1Cl
Cc1ccc(C(N)=[NH2+])cc1NC(=O)N(C)C NC(=[NH2+])[*:1] Cc1ccc(cc1NC(=O)N(C)C)[*:1]
CCCc1cc(C(=O)N(C)CCc2scnc2C)cs1 CCC[*:1] Cc1ncsc1CCN(C)C(=O)c1csc(c1)[*:1]
CCCc1cc(C(=O)N(C)CCc2scnc2C)cs1 Cc1ncsc1[*:1] CCCc1cc(cs1)C(=O)N(C)CC[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1ccc(-c2ccc(F)cc2)o1 C=CC[*:1] O=S(=O)(/N=C(\[O-])c1ccc(o1)-c1ccc(F)cc1)[*:1]
C=CCS(=O)(=O)/N=C(\[O-])c1ccc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] C=CCS(=O)(=O)/N=C(\[O-])c1ccc(o1)[*:1]
C[C@H]1CCC[C@@H](C)N1C(=O)CO/N=C(\N)C1CCCC1 C1CCC(C1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CO/N=C(\N)[*:1]
CC(C)C[C@@H](C(=O)[C@H](C#N)c1ccccn1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O c1ccc(nc1)[*:1] CC(C)C[C@@H](C(=O)[C@H](C#N)[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
CC(C)C[C@@H](C(=O)[C@H](C#N)c1ccccn1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)C[*:1] N#C[C@@H](C(=O)[C@@H](N1C(=O)[C@H]2CC=CC[C@H]2C1=O)[*:1])c1ccccn1
CC(C)C[C@@H](C(=O)[C@H](C#N)c1ccccn1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)[*:1] N#C[C@@H](C(=O)[C@H](C[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccn1
CC(C)C[C@@H](C(=O)[C@H](C#N)c1ccccn1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O N#C[C@H](c1ccccn1)[*:1] CC(C)C[C@@H](C(=O)[*:1])N1C(=O)[C@H]2CC=CC[C@H]2C1=O
Cn1cc(CCC(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)cn1 Cn1cc(cn1)[*:1] CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CC[*:1]
Cn1cc(CCC(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)cn1 Cn1cc(cn1)C[*:1] CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C[*:1]
Cn1cc(CCC(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)cn1 CC(C)(C)NC(=O)[*:1] Cn1cc(cn1)CCC(=O)N1CSC[C@@H]1[*:1]
Cn1cc(CCC(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)cn1 CC(C)(C)[*:1] Cn1cc(cn1)CCC(=O)N1CSC[C@H]1C(=O)N[*:1]
Cc1c[nH]c(CN(C)C(=O)[C@H](c2cccc(F)c2)N(C)C)[nH+]1 CN(C)[*:1] Cc1c[nH]c(CN(C)C(=O)[C@H](c2cccc(F)c2)[*:1])[nH+]1
Cc1c[nH]c(CN(C)C(=O)[C@H](c2cccc(F)c2)N(C)C)[nH+]1 Fc1cccc(c1)[*:1] Cc1c[nH]c(CN(C)C(=O)[C@H](N(C)C)[*:1])[nH+]1
COCCC1(C(=O)NCC2(C)Cc3ccccc3C2)CC1 COCCC1(CC1)[*:1] CC1(CNC(=O)[*:1])Cc2ccccc2C1
COCCC1(C(=O)NCC2(C)Cc3ccccc3C2)CC1 COCC[*:1] CC1(CNC(=O)C2(CC2)[*:1])Cc2ccccc2C1
COCCC1(C(=O)NCC2(C)Cc3ccccc3C2)CC1 COC[*:1] CC1(CNC(=O)C2(CC2)C[*:1])Cc2ccccc2C1
COc1ccc2c(c1)OC[C@H](C(=O)N[C@H](C)C(=O)N1CCCCC1)C2 O=C(N1CCCCC1)[*:1] COc1ccc2C[C@H](COc2c1)C(=O)N[C@H](C)[*:1]
O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)S(=O)(=O)N1CCOCC1)N[*:1]
O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)Nc1ccccn1 O=C(Nc1ccccn1)[*:1] O=C1CSc2ccc(cc2N1C[*:1])S(=O)(=O)N1CCOCC1
O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)Nc1ccccn1 O=C(C[*:1])Nc1ccccn1 O=C1CSc2ccc(cc2N1[*:1])S(=O)(=O)N1CCOCC1
O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)Nc1ccccn1 O=S(=O)(N1CCOCC1)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)[*:1])Nc1ccccn1
O=C(C[NH+]1CCC(Cn2cc[nH+]c2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)Cn1cc[nH+]c1)N[*:1]
C/C(=N\Nc1ccc(C(=O)[O-])cc1)c1cccc(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] C/C(=N\Nc1ccc(cc1)C(=O)[O-])c1cccc(c1)[*:1]
C/C(=N\Nc1ccc(C(=O)[O-])cc1)c1cccc(S(=O)(=O)N(C)C)c1 O=C([O-])[*:1] C/C(=N\Nc1ccc(cc1)[*:1])c1cccc(c1)S(=O)(=O)N(C)C
CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cc(C(N)=O)n[nH]2)c1 NC(=O)[*:1] CC(=O)c1cccc(c1)O[C@H](C)C(=O)Nc1cc(n[nH]1)[*:1]
CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cc(C(N)=O)n[nH]2)c1 CC(=O)[*:1] C[C@@H](Oc1cccc(c1)[*:1])C(=O)Nc1cc(n[nH]1)C(N)=O
Cc1cnc(CCNCc2csc(-c3ccc4c(c3)OCO4)n2)s1 Cc1cnc(s1)[*:1] c1cc2OCOc2cc1-c1nc(cs1)CNCC[*:1]
Cc1cnc(CCNCc2csc(-c3ccc4c(c3)OCO4)n2)s1 Cc1cnc(C[*:1])s1 c1cc2OCOc2cc1-c1nc(cs1)CNC[*:1]
Cc1cnc(CCNCc2csc(-c3ccc4c(c3)OCO4)n2)s1 Cc1cnc(CC[*:1])s1 c1cc2OCOc2cc1-c1nc(cs1)CN[*:1]
Cc1ccc(N)c(Oc2ccc(C(=O)N(C)C)nn2)c1 CN(C)C(=O)[*:1] Cc1ccc(N)c(c1)Oc1ccc(nn1)[*:1]
N#Cc1ccc(/C=C/C[NH2+]CC(C2CC2)C2CC2)cc1 C1CC1[*:1] N#Cc1ccc(/C=C/C[NH2+]CC(C2CC2)[*:1])cc1
CC[C@@H](C)n1ncc(C(=O)NCC(=O)Nc2ccccc2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NCC(=O)Nc2ccccc2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)NCC(=O)Nc2ccccc2)c1C1CC1 c1ccc(cc1)[*:1] CC[C@@H](C)n1ncc(C(=O)NCC(=O)N[*:1])c1C1CC1
O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1[C@H]1C[C@@H]2CC[C@H]1C2 O=[N+]([O-])[*:1] O=C1CS[C@H](c2ccccc2[*:1])N1[C@H]1C[C@@H]2CC[C@H]1C2
O=C([O-])CNC(=S)N(Cc1ccccc1Cl)C1CCCCC1 C1CCC(CC1)[*:1] O=C([O-])CNC(=S)N(Cc1ccccc1Cl)[*:1]
O=C([O-])CNC(=S)N(Cc1ccccc1Cl)C1CCCCC1 O=C([O-])[*:1] S=C(NC[*:1])N(Cc1ccccc1Cl)C1CCCCC1
O=C([O-])CNC(=S)N(Cc1ccccc1Cl)C1CCCCC1 Clc1ccccc1[*:1] O=C([O-])CNC(=S)N(C[*:1])C1CCCCC1
O=C([O-])CNC(=S)N(Cc1ccccc1Cl)C1CCCCC1 O=C([O-])C[*:1] S=C(N[*:1])N(Cc1ccccc1Cl)C1CCCCC1
Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCc4cccnc4)c(=O)c32)c(C)c1 Cc1cc(C)c(C[*:1])c(C)c1 O=C(Cn1ncc2c3ccccc3n(c2c1=O)[*:1])NCc1cccnc1
Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCc4cccnc4)c(=O)c32)c(C)c1 O=C(NCc1cccnc1)[*:1] Cc1cc(C)c(Cn2c3ccccc3c3cnn(C[*:1])c(=O)c32)c(C)c1
Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCc4cccnc4)c(=O)c32)c(C)c1 O=C(C[*:1])NCc1cccnc1 Cc1cc(C)c(Cn2c3ccccc3c3cnn(c(=O)c32)[*:1])c(C)c1
Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCc4cccnc4)c(=O)c32)c(C)c1 c1cncc(c1)C[*:1] Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)N[*:1])c(=O)c32)c(C)c1
Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCc4cccnc4)c(=O)c32)c(C)c1 c1cncc(c1)[*:1] Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NC[*:1])c(=O)c32)c(C)c1
Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCc4cccnc4)c(=O)c32)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=C(Cn1ncc2c3ccccc3n(C[*:1])c2c1=O)NCc1cccnc1
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C1/C[C@H](c2cccc([N+](=O)[O-])c2)NN1 O=[N+]([O-])c1cccc(c1)[*:1] O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C1/C[C@H](NN1)[*:1]
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C1/C[C@H](c2cccc([N+](=O)[O-])c2)NN1 O=[N+]([O-])[*:1] O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C1/C[C@@H](NN1)c1cccc(c1)[*:1]
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C1/C[C@H](c2cccc([N+](=O)[O-])c2)NN1 c1ccc(cc1)C[*:1] O=C1NC(=O)N(C(=O)/C1=C1/C[C@@H](NN1)c1cccc(c1)[N+](=O)[O-])[*:1]
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C1/C[C@H](c2cccc([N+](=O)[O-])c2)NN1 c1ccc(cc1)[*:1] O=C1NC(=O)N(C[*:1])C(=O)/C1=C1/C[C@@H](NN1)c1cccc(c1)[N+](=O)[O-]
C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 O[C@H](c1ccccc1)[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@@H]1C[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 Oc1ccc(cc1)C[*:1] C[C@@H](NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1)[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 O[C@@H](C[*:1])c1ccccc1 C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@H]1[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@@H]1C[C@H](O)[*:1]
C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 Oc1ccc(cc1)[*:1] C[C@@H](C[*:1])NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1
CCCn1cc[nH+]c1C[C@H]1CCCC[C@@H]1Cl CCC[*:1] Cl[C@H]1CCCC[C@@H]1Cc1[nH+]ccn1[*:1]
COc1cc(/C=C2/SC(=O)N(c3ccc(O)cc3C)C2=O)ccc1OCC(=O)[O-] Cc1cc(O)ccc1[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)[*:1])ccc1OCC(=O)[O-]
COc1cc(/C=C2/SC(=O)N(c3ccc(O)cc3C)C2=O)ccc1OCC(=O)[O-] O=C([O-])CO[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)c2ccc(O)cc2C)ccc1[*:1]
COc1cc(/C=C2/SC(=O)N(c3ccc(O)cc3C)C2=O)ccc1OCC(=O)[O-] O=C([O-])[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)c2ccc(O)cc2C)ccc1OC[*:1]
COc1cc(/C=C2/SC(=O)N(c3ccc(O)cc3C)C2=O)ccc1OCC(=O)[O-] O=C([O-])C[*:1] COc1cc(/C=C2/SC(=O)N(C2=O)c2ccc(O)cc2C)ccc1O[*:1]
O=C(CCCn1ccnn1)OCC1CC1 c1cn(nn1)[*:1] O=C(CCC[*:1])OCC1CC1
O=C(CCCn1ccnn1)OCC1CC1 C1CC1[*:1] O=C(CCCn1ccnn1)OC[*:1]
O=C(CCCn1ccnn1)OCC1CC1 C1CC1C[*:1] O=C(CCCn1ccnn1)O[*:1]
C[C@@H]1CC(C(=O)NCCNC(=O)c2ccccc2F)C[C@@H](C)O1 Fc1ccccc1[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NCCNC(=O)[*:1]
CC[NH+]1CCN([C@H](C)c2nc(-c3cccnc3)no2)CC1 c1cncc(c1)[*:1] CC[NH+]1CCN(CC1)[C@H](C)c1nc(no1)[*:1]
C[C@H]1CC(C(=O)NCCCCCc2ccccc2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCCCCC[*:1]
C[C@H]1CC(C(=O)NCCCCCc2ccccc2)C[C@H](C)O1 c1ccc(cc1)C[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCCCC[*:1]
O=C([O-])[C@]1([C@H]2CS(=O)(=O)C[C@@H]2O)CCOC1 O=C([O-])[*:1] O=S1(=O)C[C@H](O)[C@H](C1)[C@@]1(CCOC1)[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1 Cn1ccnc1C(=O)[*:1] CC(=O)c1cccc(c1)O[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1 CC(=O)[*:1] C[C@H](Oc1cccc(c1)[*:1])C(=O)Nc1ccc(cc1)C(=O)c1nccn1C
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1 Cn1ccnc1[*:1] CC(=O)c1cccc(c1)O[C@@H](C)C(=O)Nc1ccc(cc1)C(=O)[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1 CC(=O)c1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(cc1)C(=O)c1nccn1C
OC[C@@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O c1ccc(cc1)[*:1] OC[C@@H]1O[C@H]([C@@H](O)[C@H]1O)n1cnc2c(ncnc21)NC[*:1]
OC[C@@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O c1ccc(cc1)C[*:1] OC[C@@H]1O[C@H]([C@@H](O)[C@H]1O)n1cnc2c(ncnc21)N[*:1]
OC[C@@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O c1ccc(cc1)CN[*:1] OC[C@@H]1O[C@H]([C@@H](O)[C@H]1O)n1cnc2c(ncnc21)[*:1]
C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1ncc([nH]1)[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] C[C@H](Sc1ncc([nH]1)-c1ccc(F)cc1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(C1)c1nc(no1)[*:1]
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)n2)cc1 Fc1ccc(cc1Cl)[*:1] COc1ccc(cc1)-c1noc(n1)N1CCC[C@H](C1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl O=C([O-])[*:1] COc1ccc(cc1Cl)NC(=O)[C@@H]1CC=CC[C@@H]1[*:1]
CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] CCN(CC1CCN(CC1)c1cccc[nH+]1)C(=O)NCC[*:1]
CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCc1ccccn1 c1ccc(C[*:1])nc1 CCN(CC1CCN(CC1)c1cccc[nH+]1)C(=O)NC[*:1]
CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCc1ccccn1 c1ccc(CC[*:1])nc1 CCN(CC1CCN(CC1)c1cccc[nH+]1)C(=O)N[*:1]
CCC[NH2+][C@@H](Cc1ccncc1)[C@@H]1CN(C(C)C)CCO1 CC(C)[*:1] CCC[NH2+][C@@H](Cc1ccncc1)[C@@H]1CN(CCO1)[*:1]
CCC[NH2+][C@@H](Cc1ccncc1)[C@@H]1CN(C(C)C)CCO1 c1cc(ccn1)[*:1] CCC[NH2+][C@@H](C[*:1])[C@@H]1CN(CCO1)C(C)C
CCC[NH2+][C@@H](Cc1ccncc1)[C@@H]1CN(C(C)C)CCO1 CCC[*:1] CC(C)N1CCO[C@@H](C1)[C@H](Cc1ccncc1)[NH2+][*:1]
CCC[NH2+][C@@H](Cc1ccncc1)[C@@H]1CN(C(C)C)CCO1 c1cc(ccn1)C[*:1] CCC[NH2+][C@@H]([C@@H]1CN(CCO1)C(C)C)[*:1]
O[C@@H](C[NH2+]Cc1ccc2c(c1)OCCO2)Cc1ccccc1 c1ccc(cc1)[*:1] O[C@@H](C[NH2+]Cc1ccc2OCCOc2c1)C[*:1]
O[C@@H](C[NH2+]Cc1ccc2c(c1)OCCO2)Cc1ccccc1 c1ccc(cc1)C[*:1] O[C@@H](C[NH2+]Cc1ccc2OCCOc2c1)[*:1]
Cn1c(C[NH+](C)Cc2c[nH]nc2-c2cccs2)nc2ccccc21 c1csc(c1)[*:1] Cn1c(C[NH+](C)Cc2c[nH]nc2[*:1])nc2ccccc21
CCN(CC)C(=O)[C@H](C)Cl C[C@H](Cl)[*:1] CCN(CC)C(=O)[*:1]
CCN(CCO)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] O=C([O-])[*:1] CCN(CCO)C(=O)N[C@H]1CCCCC[C@@H]1[*:1]
CCN(CCO)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] OCC[*:1] CCN(C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])[*:1]
CNc1ccc(C(=O)Nn2cnc3ccccc32)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])C(=O)Nn1cnc2ccccc21
CCn1nccc1C(=O)Nc1nnc(-c2cc(C)cc(C)c2)o1 CCn1nccc1[*:1] Cc1cc(C)cc(c1)-c1nnc(NC(=O)[*:1])o1
CC(C)NC(=O)CCCc1nc2ccccc2s1 CC(C)NC(=O)[*:1] c1ccc2sc(CCC[*:1])nc2c1
CC(C)NC(=O)CCCc1nc2ccccc2s1 CC(C)[*:1] O=C(CCCc1nc2ccccc2s1)N[*:1]
CC(C)(C)[S@](=O)CCNC(=O)c1ccc(I)cc1 CC(C)(C)[*:1] O=C(NCC[S@@](=O)[*:1])c1ccc(I)cc1
CC1(C)[C@@H](C(=O)Nc2ccc(NC(=O)C3CCC3)cc2)[C@H]1C(=O)[O-] O=C(N[*:1])C1CCC1 CC1(C)[C@@H](C(=O)Nc2ccc(cc2)[*:1])[C@H]1C(=O)[O-]
CC1(C)[C@@H](C(=O)Nc2ccc(NC(=O)C3CCC3)cc2)[C@H]1C(=O)[O-] C1CC(C1)[*:1] CC1(C)[C@@H](C(=O)Nc2ccc(cc2)NC(=O)[*:1])[C@H]1C(=O)[O-]
CCC(CC)NC(=O)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] CCC(CC)NC(=O)C(=O)Nc1nnc(C[*:1])s1
CCC(CC)NC(=O)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 Clc1cccc(c1)C[*:1] CCC(CC)NC(=O)C(=O)Nc1nnc(s1)[*:1]
CCC(CC)NC(=O)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 CCC(CC)[*:1] O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)C(=O)N[*:1]
C[C@H](O)c1cccc(N(C)Cc2cccc(-n3cccn3)c2)[nH+]1 c1cnn(c1)[*:1] C[C@H](O)c1cccc([nH+]1)N(C)Cc1cccc(c1)[*:1]
Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cccc(Cl)c2C)o1 Cc1c(Cl)cccc1[*:1] Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)[*:1])o1
Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cccc(Cl)c2C)o1 Cc1ccc(o1)[*:1] Cc1c(Cl)cccc1S(=O)(=O)N(CC[NH+](C)C)C[*:1]
Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cccc(Cl)c2C)o1 Cc1ccc(C[*:1])o1 Cc1c(Cl)cccc1S(=O)(=O)N(CC[NH+](C)C)[*:1]
CCC(=O)Nc1ccc(C(=O)NC)cc1 CNC(=O)[*:1] CCC(=O)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(C(=O)NC)cc1 CCC(=O)N[*:1] CNC(=O)c1ccc(cc1)[*:1]
CCn1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)n1 CCn1ccc(n1)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)[*:1]
CON(C)C(=O)c1c(F)ccc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] CON(C)C(=O)c1c(F)ccc(c1F)[*:1]
Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1S(C)(=O)=O Fc1ccc(cc1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)CO[*:1]
Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)COc1ccc(F)cc1
CCc1ccsc1CNC(=O)[C@@H](C)Cc1ccccc1 c1ccc(cc1)[*:1] CCc1ccsc1CNC(=O)[C@@H](C)C[*:1]
COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)O CC(C)(O)C[*:1] COc1ccccc1[C@@H]1C[C@H]1C(=O)N[*:1]
COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)O CC(C)(O)[*:1] COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[*:1]
FC(F)(F)Cn1ccnc1CN1CCc2ccccc21 FC(F)(F)[*:1] c1ccc2c(c1)CCN2Cc1nccn1C[*:1]
FC(F)(F)Cn1ccnc1CN1CCc2ccccc21 FC(F)(F)C[*:1] c1ccc2c(c1)CCN2Cc1nccn1[*:1]
Cc1cc(C)nc([C@@H](C#N)C(=O)CCc2cnn(-c3ccccc3)c2)n1 Cc1cc(C)nc(n1)[*:1] N#C[C@@H](C(=O)CCc1cnn(c1)-c1ccccc1)[*:1]
Cc1cc(C)nc([C@@H](C#N)C(=O)CCc2cnn(-c3ccccc3)c2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)CCc1cnn(c1)[*:1]
CC[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C)Oc1cccc(F)c1 Cc1cc(F)ccc1[*:1] CC[C@H](CNC(=O)C(=O)N[*:1])Oc1cccc(F)c1
CC[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C)O[*:1]
CC[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C)Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] CC[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C)[*:1]
C[C@](O)(CNC(=O)c1cccnc1Cl)c1ccco1 c1coc(c1)[*:1] C[C@](O)(CNC(=O)c1cccnc1Cl)[*:1]
CCn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])SCc1n[nH]c(=O)[nH]1
CCn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1ccccc1 O=c1[nH]nc([nH]1)[*:1] CCn1c(nnc1-c1ccccc1)SC[*:1]
CCn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1ccccc1 O=c1[nH]nc(C[*:1])[nH]1 CCn1c(nnc1-c1ccccc1)S[*:1]
CCNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C(C)C)cc1 c1ccc(cc1)[*:1] CCNC(=O)c1ccc(cc1)C[NH2+][C@H](C(C)C)[*:1]
CCNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C(C)C)cc1 CCNC(=O)[*:1] CC(C)[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1
CCNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C(C)C)cc1 CC(C)[*:1] CCNC(=O)c1ccc(cc1)C[NH2+][C@H](c1ccccc1)[*:1]
Cc1cccc(Cn2c(-c3ccc[nH]c3=O)nc3ccccc32)c1 O=c1[nH]cccc1[*:1] Cc1cccc(c1)Cn1c(nc2ccccc21)[*:1]
Cc1cccc(Cn2c(-c3ccc[nH]c3=O)nc3ccccc32)c1 Cc1cccc(c1)[*:1] O=c1[nH]cccc1-c1nc2ccccc2n1C[*:1]
Cc1cccc(Cn2c(-c3ccc[nH]c3=O)nc3ccccc32)c1 Cc1cccc(c1)C[*:1] O=c1[nH]cccc1-c1nc2ccccc2n1[*:1]
COc1ccc([C@@H]2[C@H](C[NH+]3CCOCC3)C(=O)N2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1[C@H](C[NH+]2CCOCC2)C(=O)N1[*:1]
COc1ccc([C@@H]2[C@H](C[NH+]3CCOCC3)C(=O)N2c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C1[C@@H](C[NH+]2CCOCC2)[C@H](N1c1ccccc1)[*:1]
COC(=O)c1ccc(CSc2nccc(=O)[nH]2)cc1 COC(=O)[*:1] O=c1ccnc([nH]1)SCc1ccc(cc1)[*:1]
Cc1ncccc1Oc1ccc(C(=O)[O-])cc1Cl O=C([O-])[*:1] Cc1ncccc1Oc1ccc(cc1Cl)[*:1]
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(Cl)c1 O=[N+]([O-])[*:1] O=C(CCNC(=O)c1ccc(cc1)[*:1])Nc1ccc(F)c(Cl)c1
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(CCNC(=O)c1ccc(cc1)[N+](=O)[O-])N[*:1]
Cc1ccc(NC(=O)COC(=O)CN2CCSC2=O)cc1F O=C1SCCN1C[*:1] Cc1ccc(cc1F)NC(=O)COC(=O)[*:1]
Cc1ccc(NC(=O)COC(=O)CN2CCSC2=O)cc1F O=C1SCCN1[*:1] Cc1ccc(cc1F)NC(=O)COC(=O)C[*:1]
CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 CC[C@@H](C)[*:1] O=C(COc1ccccc1[*:1])N1CCC[C@@H](C1)[NH+]1CCCC1
O=C(Nc1cc(N2CCCCC2)ncn1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 c1cnn(c1)[*:1] O=C(Nc1cc(ncn1)N1CCCCC1)C1CCN(CC1)c1ccc(nn1)[*:1]
O=C(Nc1cc(N2CCCCC2)ncn1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 C1CCN(CC1)[*:1] O=C(Nc1cc(ncn1)[*:1])C1CCN(CC1)c1ccc(nn1)-n1cccn1
CC(=O)NCC(=O)NCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 CC(=O)NC[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)CNC(=O)[*:1]
CC(=O)NCC(=O)NCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 CC(=O)N[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)CNC(=O)C[*:1]
Cc1c[nH+]c(CNCCO)[nH]1 OCC[*:1] Cc1c[nH+]c(CN[*:1])[nH]1
Cc1c(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)oc2ccccc12 c1ccc(cc1)C[*:1] Cc1c(oc2ccccc12)C(=O)O[C@@H](C)C(=O)N(C)[*:1]
Cc1c(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)oc2ccccc12 c1ccc(cc1)[*:1] Cc1c(oc2ccccc12)C(=O)O[C@@H](C)C(=O)N(C)C[*:1]
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccccc2)c(C)c1 c1ccc(cc1)C[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CC(=O)N[*:1]
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CC(=O)NC[*:1]
Cc1sc(NC(=O)c2cccc(N3CCCC3=O)c2)c(C(N)=O)c1C NC(=O)[*:1] Cc1sc(NC(=O)c2cccc(c2)N2CCCC2=O)c(c1C)[*:1]
Cc1sc(NC(=O)c2cccc(N3CCCC3=O)c2)c(C(N)=O)c1C O=C1CCCN1[*:1] Cc1sc(NC(=O)c2cccc(c2)[*:1])c(C(N)=O)c1C
COC(=O)c1cnc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)s1 COC(=O)c1cnc(s1)[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)C(=O)N[*:1]
COC(=O)c1cnc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)s1 COC(=O)[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)C(=O)Nc1ncc(s1)[*:1]
Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)o2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)c1ccc(o1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)o2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1F)c1ccc(o1)S(=O)(=O)[*:1]
Cc1c(NC(=O)COc2ccc(C(C)C)cc2)cccc1C(=O)[O-] CC(C)[*:1] Cc1c(cccc1C(=O)[O-])NC(=O)COc1ccc(cc1)[*:1]
Cc1c(NC(=O)COc2ccc(C(C)C)cc2)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)COc1ccc(cc1)C(C)C
CCOc1ccccc1NC(=O)N1CCC(Cn2nc(C)cc2C)CC1 CCO[*:1] Cc1cc(C)n(CC2CCN(CC2)C(=O)Nc2ccccc2[*:1])n1
CCOc1ccccc1NC(=O)N1CCC(Cn2nc(C)cc2C)CC1 Cc1cc(C)n(C[*:1])n1 CCOc1ccccc1NC(=O)N1CCC(CC1)[*:1]
CCOc1ccccc1NC(=O)N1CCC(Cn2nc(C)cc2C)CC1 Cc1cc(C)n(n1)[*:1] CCOc1ccccc1NC(=O)N1CCC(CC1)C[*:1]
CNC(=O)c1ccc(/C=C/C([O-])=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 CNC(=O)[*:1] O=S(=O)(/N=C([O-])/C=C/c1ccc(cc1)[*:1])c1ccc(Cl)cc1
CNC(=O)c1ccc(/C=C/C([O-])=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CNC(=O)c1ccc(/C=C/C([O-])=N/S(=O)(=O)[*:1])cc1
CCOC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2C)C1 CCOC(=O)[*:1] Cc1cc(Br)ccc1N1C[C@@H](CC1=O)[*:1]
O=C([O-])c1cc(=O)[nH]c2ccc(C(F)(F)F)cc12 O=C([O-])[*:1] O=c1cc(c2cc(ccc2[nH]1)C(F)(F)F)[*:1]
O=C([O-])c1cc(=O)[nH]c2ccc(C(F)(F)F)cc12 FC(F)(F)[*:1] O=C([O-])c1cc(=O)[nH]c2ccc(cc12)[*:1]
CSc1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(C)c2)n1C Cc1cc(ccc1F)[*:1] CSc1nnc([C@@H]2CCCN2S(=O)(=O)[*:1])n1C
CSc1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(C)c2)n1C CSc1nnc(n1C)[*:1] Cc1cc(ccc1F)S(=O)(=O)N1CCC[C@H]1[*:1]
CCN(CCO)C(=O)NCc1nc(C)c(C)s1 OCC[*:1] CCN(C(=O)NCc1nc(C)c(C)s1)[*:1]
CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1F Fc1ccccc1[*:1] CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)[*:1]
COc1ccc(-c2c(C)n[nH]c2C)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(c(c1)[*:1])-c1c(C)n[nH]c1C
CCC(=O)Nc1ccc(S(=O)(=O)N(Cc2[nH+]ccn2C)C2CC2)cc1 C1CC1[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1[nH+]ccn1C)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N(Cc2[nH+]ccn2C)C2CC2)cc1 CCC(=O)N[*:1] Cn1cc[nH+]c1CN(C1CC1)S(=O)(=O)c1ccc(cc1)[*:1]
NC(=O)CN[C@@H]1CCCc2cccnc21 NC(=O)C[*:1] c1cnc2c(c1)CCC[C@H]2N[*:1]
NC(=O)CN[C@@H]1CCCc2cccnc21 NC(=O)CN[*:1] c1cnc2c(c1)CCC[C@H]2[*:1]
NC(=O)CN[C@@H]1CCCc2cccnc21 NC(=O)[*:1] c1cnc2c(c1)CCC[C@H]2NC[*:1]
COc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nccn1-c1ccc(Cl)cc1)N[*:1]
COc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)CSc1nccn1[*:1]
O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(Cc1cc(Cl)c2OCCOc2c1)N[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(-c2ccccn2)n1 Fc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)Cc1csc(n1)-c1ccccn1)[*:1]
C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(-c2ccccn2)n1 c1ccc(nc1)[*:1] C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(n1)[*:1]
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 CNC(=O)[*:1] O=S(=O)(c1cccc2nsnc12)N1CCC[C@H]1[*:1]
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)cc1 Cc1ccc(cc1)[*:1] N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)N[*:1]
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)cc1 Cc1ccc(cc1)NC(=O)[*:1] N#CC(=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)[*:1]
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)cc1 O=C(Nc1ccc(F)cc1)[*:1] Cc1ccc(cc1)NC(=O)/C(C#N)=C\c1cn(C[*:1])c2ccccc12
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)/C(C#N)=C\c1cn(CC(=O)N[*:1])c2ccccc12
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)cc1 O=C(C[*:1])Nc1ccc(F)cc1 Cc1ccc(cc1)NC(=O)/C(C#N)=C\c1cn(c2ccccc12)[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)C[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)N1CCC(CC1)[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N1CCC(CN2CCOCC2)CC1 Cc1ccccc1[*:1] C[C@@H](CNC(=O)N1CCC(CC1)CN1CCOCC1)O[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)N1CCC(CC1)C[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)N1CCC(CN2CCOCC2)CC1 Cc1ccccc1O[*:1] C[C@@H](CNC(=O)N1CCC(CC1)CN1CCOCC1)[*:1]
Fc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cccc(Br)c1 Fc1ccccc1[*:1] S=c1[nH]nc(n1/N=C/c1cccc(Br)c1)[*:1]
Fc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cccc(Br)c1 Brc1cccc(c1)[*:1] Fc1ccccc1-c1n[nH]c(=S)n1N=C[*:1]
Cn1cc([C@]2(C)CN([C@@H]3CCCN(Cc4ccccc4)C3=O)CCO2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)[C@]1(C)CN(CCO1)[C@@H]1CCCN(C[*:1])C1=O
Cn1cc([C@]2(C)CN([C@@H]3CCCN(Cc4ccccc4)C3=O)CCO2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)[C@]1(C)CN(CCO1)[C@@H]1CCCN(C1=O)[*:1]
Cn1cc([C@]2(C)CN([C@@H]3CCCN(Cc4ccccc4)C3=O)CCO2)cn1 Cn1cc(cn1)[*:1] C[C@@]1(CN(CCO1)[C@@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
C[C@@H]1CCCCN1C(=O)c1ccc(CSc2nccn2C)o1 Cn1ccnc1S[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(C[*:1])o1
C[C@@H]1CCCCN1C(=O)c1ccc(CSc2nccn2C)o1 Cn1ccnc1[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(CS[*:1])o1
COCCNC(=O)C1(C[C@H]2CC(c3ccccc3)=NO2)CCOCC1 COCC[*:1] O=C(N[*:1])C1(CCOCC1)C[C@H]1CC(=NO1)c1ccccc1
COCCNC(=O)C1(C[C@H]2CC(c3ccccc3)=NO2)CCOCC1 c1ccc(cc1)[*:1] COCCNC(=O)C1(CCOCC1)C[C@H]1CC(=NO1)[*:1]
COCCNC(=O)C1(C[C@H]2CC(c3ccccc3)=NO2)CCOCC1 COC[*:1] O=C(NC[*:1])C1(CCOCC1)C[C@H]1CC(=NO1)c1ccccc1
COCCNC(=O)C1(C[C@H]2CC(c3ccccc3)=NO2)CCOCC1 COCCNC(=O)[*:1] c1ccc(cc1)C1C[C@H](CC2(CCOCC2)[*:1])ON=1
C[C@H]1CC(C(=O)NC[C@@H](C)c2ccsc2)C[C@H](C)O1 c1cc(cs1)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NC[C@@H](C)[*:1]
Cc1nc(-c2ncccn2)sc1C(=O)NCC[NH+](C(C)C)C(C)C c1cnc(nc1)[*:1] Cc1nc(sc1C(=O)NCC[NH+](C(C)C)C(C)C)[*:1]
Cc1nc(-c2ncccn2)sc1C(=O)NCC[NH+](C(C)C)C(C)C CC(C)[*:1] Cc1nc(sc1C(=O)NCC[NH+](C(C)C)[*:1])-c1ncccn1
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)Nc1cccc2ccccc12 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=S)Nc1cccc2ccccc12)[*:1]
COC(=O)c1ccc(C)c(S(=O)(=O)Oc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 CC(=O)N1CCN(CC1)[*:1] COC(=O)c1ccc(C)c(c1)S(=O)(=O)Oc1ccc(cc1)[*:1]
COC(=O)c1ccc(C)c(S(=O)(=O)Oc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 COC(=O)[*:1] CC(=O)N1CCN(CC1)c1ccc(cc1)OS(=O)(=O)c1cc(ccc1C)[*:1]
COCc1nc(N(C)Cc2ccc3nonc3c2)c2cnn(C)c2n1 COC[*:1] CN(Cc1ccc2nonc2c1)c1nc(nc2c1cnn2C)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)c1 CC(=O)N[*:1] C[C@H](C(=O)Nc1cccc(c1)[*:1])N1CC[NH+](CC1)CCC(C)(C)C
CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)c1 CC(C)(C)C[*:1] CC(=O)Nc1cccc(c1)NC(=O)[C@@H](C)N1CC[NH+](CC1)C[*:1]
CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)c1 CC(C)(C)[*:1] CC(=O)Nc1cccc(c1)NC(=O)[C@@H](C)N1CC[NH+](CC1)CC[*:1]
Cc1nn([C@H](C)CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c(C)c1C c1csc(n1)[*:1] Cc1nn(c(C)c1C)[C@H](C)CC(=O)N1CCC(CC1)c1nc(cc(=O)[nH]1)[*:1]
Cc1nn([C@H](C)CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c(C)c1C Cc1nn(c(C)c1C)[*:1] C[C@H](CC(=O)N1CCC(CC1)c1nc(cc(=O)[nH]1)-c1nccs1)[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1C NS(=O)(=O)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)NCCc1ccc(cc1)[*:1]
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSC CSCC(=O)N[*:1] COC(=O)[C@H](Cc1c[nH]c2ccccc12)[*:1]
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSC CSC[*:1] COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[*:1]
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSC COC(=O)[*:1] CSCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CC[C@H](S[C@H](C)c1ccc(F)cc1F)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@H](S[C@H](C)c1ccc(F)cc1F)C(=O)N[*:1]
Cc1cc2c(c(C)c1Cl)[C@H](NCc1nncn1C(C)C)CCO2 CC(C)[*:1] Cc1cc2OCC[C@@H](NCc3nncn3[*:1])c2c(C)c1Cl
O=C(N/N=C/c1cc(OCc2ccccc2)ccc1Br)C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(N/N=C/c1cc(ccc1Br)OCc1ccccc1)C(=O)N[*:1]
O=C(N/N=C/c1cc(OCc2ccccc2)ccc1Br)C(=O)Nc1ccc(F)cc1 c1ccc(cc1)C[*:1] O=C(N/N=C/c1cc(ccc1Br)O[*:1])C(=O)Nc1ccc(F)cc1
O=C(N/N=C/c1cc(OCc2ccccc2)ccc1Br)C(=O)Nc1ccc(F)cc1 c1ccc(cc1)CO[*:1] O=C(N/N=C/c1cc(ccc1Br)[*:1])C(=O)Nc1ccc(F)cc1
O=C(N/N=C/c1cc(OCc2ccccc2)ccc1Br)C(=O)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1cc(ccc1Br)OC[*:1])C(=O)Nc1ccc(F)cc1
O=C1CCc2cc(OS(=O)(=O)CCCF)ccc2N1 FCC[*:1] O=C1CCc2cc(ccc2N1)OS(=O)(=O)C[*:1]
O=C1CCc2cc(OS(=O)(=O)CCCF)ccc2N1 FCCC[*:1] O=C1CCc2cc(ccc2N1)OS(=O)(=O)[*:1]
Cc1cc(C)n(-c2ccc(NCCC(=O)N3CCCCCC3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C(CCNc1ccc(nn1)[*:1])N1CCCCCC1
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1 COc1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)C1CCC1)S(=O)(=O)N(C)CC(=O)N[*:1]
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1 COc1ccc(cc1)NC(=O)[*:1] C[C@H]1Cc2cc(ccc2N1C(=O)C1CCC1)S(=O)(=O)N(C)C[*:1]
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1 C1CC(C1)[*:1] COc1ccc(cc1)NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)[*:1]
C=CCn1c(-c2ccccc2OC)n[nH]c1=S C=CC[*:1] COc1ccccc1-c1n[nH]c(=S)n1[*:1]
CCN1C(=O)CCc2cc(NC(=O)Nc3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CCN1C(=O)CCc2cc(ccc21)NC(=O)N[*:1]
CCOC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[C@H](C)NC(=O)[*:1]
CCOC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1 CC(C)(C)C(=O)N[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[C@H](C)[*:1]
CCOC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1 CCOC(=O)[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(cc1)[*:1]
COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(O)ccc1OC)CC2 COCCC[*:1] COc1ccc(O)cc1C[NH+]1CCC2(CCC(=O)N(C2)[*:1])CC1
COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(O)ccc1OC)CC2 COC[*:1] COc1ccc(O)cc1C[NH+]1CCC2(CCC(=O)N(CC[*:1])C2)CC1
COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(O)ccc1OC)CC2 COc1ccc(O)cc1[*:1] COCCCN1CC2(CCC1=O)CC[NH+](CC2)C[*:1]
COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(O)ccc1OC)CC2 COCC[*:1] COc1ccc(O)cc1C[NH+]1CCC2(CCC(=O)N(C2)C[*:1])CC1
CCC[C@@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)CCO1 CCC[*:1] O=C(Nc1nnc(s1)C(F)(F)F)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)CCO1 FC(F)(F)[*:1] CCC[C@@H]1CN(CCO1)C(=O)Nc1nnc(s1)[*:1]
CN(C)c1ncccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 CN(C)[*:1] O=C(Nc1ccc(s1)C(=O)Nc1cccnc1[*:1])c1ccco1
CN(C)c1ncccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 c1coc(c1)[*:1] CN(C)c1ncccc1NC(=O)c1ccc(NC(=O)[*:1])s1
CN(C)c1ncccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 O=C(N[*:1])c1ccco1 CN(C)c1ncccc1NC(=O)c1ccc(s1)[*:1]
Cc1ccc(-c2nc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)no2)cc1 Cc1ccc(cc1)[*:1] O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1noc(n1)[*:1]
Cc1ccccc1NC(=O)CN1CCN(c2[nH+]ccn2-c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1ccccc1NC(=O)CN1CCN(CC1)c1[nH+]ccn1[*:1]
Cc1ccccc1NC(=O)CN1CCN(c2[nH+]ccn2-c2ccccc2F)CC1 Cc1ccccc1[*:1] O=C(CN1CCN(CC1)c1[nH+]ccn1-c1ccccc1F)N[*:1]
Cc1cc(NC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)nn1C Cc1cc(nn1C)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)N[*:1])c1=O
Cc1cc(NC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)nn1C Cn1cnn(c1=O)[*:1] Cc1cc(nn1C)NC(=O)Nc1ccc(cc1)[*:1]
CC(C)C1=C[C@@H](C(=O)N/N=C/c2c(Cl)cccc2Cl)N=N1 CC(C)[*:1] O=C(N/N=C/c1c(Cl)cccc1Cl)[C@@H]1C=C(N=N1)[*:1]
CCc1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@@H]2C)n1 CCc1noc(n1)[*:1] CC(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)[*:1])[C@@H](C)C1
CCc1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@@H]2C)n1 CC(C)[*:1] CCc1noc(n1)[C@H](C)[NH2+][C@@H]1CCN(C[C@@H]1C)C(=O)[*:1]
CC(C)=C[C@@H]1[C@H](C(=O)NNc2cccc(C)c2)C1(C)C CC(C)=C[*:1] Cc1cccc(c1)NNC(=O)[C@H]1[C@H](C1(C)C)[*:1]
O=C(Nc1ccc2[nH]ccc2c1)N[C@H]1CCN(c2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] O=C(Nc1ccc2[nH]ccc2c1)N[C@H]1CCN(C1)[*:1]
CC(C)CCC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 CC(C)[*:1] O=C(CC[*:1])N1CCCC[C@@H]1c1nc(no1)-c1ccccc1
CC(C)CCC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 CC(C)C[*:1] O=C(C[*:1])N1CCCC[C@@H]1c1nc(no1)-c1ccccc1
CC(C)CCC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 CC(C)CC[*:1] O=C(N1CCCC[C@@H]1c1nc(no1)-c1ccccc1)[*:1]
CC(C)CCC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)CCC(=O)N1CCCC[C@@H]1c1nc(no1)[*:1]
CC[NH+](CC)Cc1nc([C@@H]([NH3+])c2ccccc2)no1 c1ccc(cc1)[*:1] CC[NH+](CC)Cc1nc(no1)[C@@H]([NH3+])[*:1]
Cc1cc(C(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1nn(-c2ccccc2Cl)c2sc(cc12)C(=O)NNC(=O)[*:1]
Cc1cc(C(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)c(C)o1 Clc1ccccc1[*:1] Cc1cc(C(=O)NNC(=O)c2cc3c(C)nn(c3s2)[*:1])c(C)o1
O=C1CCc2cc(C(=O)NCCc3cccs3)ccc2N1 c1csc(c1)[*:1] O=C1CCc2cc(ccc2N1)C(=O)NCC[*:1]
O=C1CCc2cc(C(=O)NCCc3cccs3)ccc2N1 c1csc(c1)C[*:1] O=C1CCc2cc(ccc2N1)C(=O)NC[*:1]
O=C1CCc2cc(C(=O)NCCc3cccs3)ccc2N1 c1csc(c1)CC[*:1] O=C1CCc2cc(ccc2N1)C(=O)N[*:1]
Cc1noc(CCC(=O)NCc2ccccc2OC2CCCC2)n1 Cc1noc(CC[*:1])n1 O=C(NCc1ccccc1OC1CCCC1)[*:1]
Cc1noc(CCC(=O)NCc2ccccc2OC2CCCC2)n1 C1CCC(C1)[*:1] Cc1noc(CCC(=O)NCc2ccccc2O[*:1])n1
Cc1noc(CCC(=O)NCc2ccccc2OC2CCCC2)n1 Cc1noc(C[*:1])n1 O=C(C[*:1])NCc1ccccc1OC1CCCC1
Cc1noc(CCC(=O)NCc2ccccc2OC2CCCC2)n1 C1CCC(C1)O[*:1] Cc1noc(CCC(=O)NCc2ccccc2[*:1])n1
Cc1noc(CCC(=O)NCc2ccccc2OC2CCCC2)n1 Cc1noc(n1)[*:1] O=C(CC[*:1])NCc1ccccc1OC1CCCC1
C[C@H](CNC(=O)[C@@H](C)n1c(=O)oc2ccccc21)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@H](C(=O)NC[C@@H](C)[*:1])n1c(=O)oc2ccccc21
C[C@H](CNC(=O)[C@@H](C)n1c(=O)oc2ccccc21)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@@H](C)n1c(=O)oc2ccccc21)O[*:1]
CCSCCN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O CCSCC[*:1] C[C@]1(NC(=O)N(C1=O)[*:1])c1cccc2ccccc12
CCSCCN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O CCS[*:1] C[C@]1(NC(=O)N(CC[*:1])C1=O)c1cccc2ccccc12
CCSCCN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O CCSC[*:1] C[C@]1(NC(=O)N(C[*:1])C1=O)c1cccc2ccccc12
CN(C)S(=O)(=O)CCNC(=O)[C@@H]1COc2ccccc2C1 CN(C)S(=O)(=O)C[*:1] O=C(NC[*:1])[C@@H]1COc2ccccc2C1
CN(C)S(=O)(=O)CCNC(=O)[C@@H]1COc2ccccc2C1 CN(C)S(=O)(=O)[*:1] O=C(NCC[*:1])[C@@H]1COc2ccccc2C1
C[C@H](CCc1ccccc1)CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F c1ccc(cc1)C[*:1] C[C@@H](CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)C[*:1]
C[C@H](CCc1ccccc1)CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F c1ccc(cc1)[*:1] C[C@H](CC[*:1])CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F
C[C@H](CCc1ccccc1)CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F c1ccc(cc1)CC[*:1] C[C@H](CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)[*:1]
C[C@H](CCc1ccccc1)CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] C[C@H](CCc1ccccc1)CC(=O)N1C[C@@H](O)C[C@H]1[*:1]
Cc1ccc(C(=O)NNC(=O)CCc2c[nH]c3c(C)cccc23)o1 Cc1ccc(o1)[*:1] Cc1cccc2c(c[nH]c12)CCC(=O)NNC(=O)[*:1]
O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1cc2OCCOc2cc1Br)c1ccc(cc1)[*:1]
CCN(C(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1)[*:1]
CCN(C(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1)c1ccccc1C c1ccc(cc1)[*:1] CCN(C(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1C
CC(=O)c1ccc(S(=O)(=O)N2CCC(Cn3cc[nH+]c3C(C)C)CC2)cc1 CC(=O)[*:1] CC(C)c1[nH+]ccn1CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC(Cn3cc[nH+]c3C(C)C)CC2)cc1 CC(C)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Cn1cc[nH+]c1[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCC(Cn3cc[nH+]c3C(C)C)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] CC(C)c1[nH+]ccn1CC1CCN(CC1)S(=O)(=O)[*:1]
C#CCOc1ccccc1CN1CCN(C(=O)C(=O)N2CCCC2)CC1 C#CC[*:1] O=C(C(=O)N1CCN(CC1)Cc1ccccc1O[*:1])N1CCCC1
C#CCOc1ccccc1CN1CCN(C(=O)C(=O)N2CCCC2)CC1 C#CCO[*:1] O=C(C(=O)N1CCN(CC1)Cc1ccccc1[*:1])N1CCCC1
COc1cc(N2CCC[C@@H](CCC(N)=O)C2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])N1CCC[C@@H](CCC(N)=O)C1
COc1cc(N2CCC[C@@H](CCC(N)=O)C2)ccc1[N+](=O)[O-] NC(=O)CC[*:1] COc1cc(ccc1[N+](=O)[O-])N1CCC[C@@H](C1)[*:1]
COc1cc(N2CCC[C@@H](CCC(N)=O)C2)ccc1[N+](=O)[O-] NC(=O)C[*:1] COc1cc(ccc1[N+](=O)[O-])N1CCC[C@H](C1)C[*:1]
COc1cc(N2CCC[C@@H](CCC(N)=O)C2)ccc1[N+](=O)[O-] NC(=O)[*:1] COc1cc(ccc1[N+](=O)[O-])N1CCC[C@@H](CC[*:1])C1
O=[N+]([O-])c1ccc(N2CCC[C@@H]3CCC[C@@H]32)nc1 O=[N+]([O-])[*:1] c1cc(ncc1[*:1])N1CCC[C@@H]2CCC[C@@H]21
CC[C@H](C)[C@H](NC(=O)[C@@H](C)OC)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)[C@@H](C)OC)[*:1]
CC[C@H](C)[C@H](NC(=O)[C@@H](C)OC)C(N)=O CC[C@H](C)[*:1] CO[C@H](C)C(=O)N[C@H](C(N)=O)[*:1]
CC[C@H](C)[C@H](NC(=O)[C@@H](C)OC)C(N)=O CO[C@H](C)[*:1] CC[C@H](C)[C@H](NC(=O)[*:1])C(N)=O
C=CCC[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)C1CC1 C=CC[*:1] O[C@]1(CCc2ccccc21)C[NH2+][C@@H](C[*:1])C1CC1
C=CCC[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)C1CC1 C1CC1[*:1] C=CCC[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)[*:1]
C=CCC[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)C1CC1 C=CCC[*:1] O[C@]1(CCc2ccccc21)C[NH2+][C@H](C1CC1)[*:1]
CCc1n[n-]c(S(=O)(=O)CC(=O)N[C@H]2CCCC[C@@H]2C)n1 C[C@H]1CCCC[C@@H]1[*:1] CCc1n[n-]c(n1)S(=O)(=O)CC(=O)N[*:1]
C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C CC(C)(C)[*:1] C[C@H](CC[*:1])NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C
C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C CC(C)(C)C[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C
C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C CC(C)(C)CC[*:1] C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)[*:1]
C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](CCC(C)(C)C)NC(=O)C(=O)Nc1ccccc1[*:1]
Cc1c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 Clc1ccccc1[*:1] Cc1c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1C[C@H]1CCCO1
Cc1c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 Clc1ccccc1C[*:1] Cc1c(C)n2c3c(=O)n(c(=O)n(C)c3nc2n1C[C@H]1CCCO1)[*:1]
CC[C@H](C)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC[C@H](C)C(=O)N1CCN(CC1)C(=O)[*:1]
CC[C@H](C)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 CC[C@H](C)[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
COC(=O)[C@H](C)CC(=O)Nc1ccc2c(c1)COC2 COC(=O)[*:1] C[C@H](CC(=O)Nc1ccc2COCc2c1)[*:1]
COC(=O)[C@H](C)CC(=O)Nc1ccc2c(c1)COC2 COC(=O)[C@H](C)[*:1] O=C(C[*:1])Nc1ccc2COCc2c1
CC[C@@H](C)N1C(N)=[NH+]C[C@@]1(C)c1ccc(O)cc1 CC[C@@H](C)[*:1] C[C@]1(C[NH+]=C(N)N1[*:1])c1ccc(O)cc1
C[C@H](SCc1ccnn1C)c1ccc(F)c(F)c1 Cn1nccc1[*:1] C[C@H](SC[*:1])c1ccc(F)c(F)c1
C[C@H](CNC(=O)c1[nH]nc(C2CC2)c1Cl)Oc1cccc(F)c1 C1CC1[*:1] C[C@H](CNC(=O)c1[nH]nc(c1Cl)[*:1])Oc1cccc(F)c1
C[C@H](CNC(=O)c1[nH]nc(C2CC2)c1Cl)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CNC(=O)c1[nH]nc(c1Cl)C1CC1)O[*:1]
COc1ccc(-c2cccc(NC(=O)COc3ccc4c(c3)OCO4)c2)nn1 c1cc2OCOc2cc1[*:1] COc1ccc(nn1)-c1cccc(c1)NC(=O)CO[*:1]
COc1ccc(-c2cccc(NC(=O)COc3ccc4c(c3)OCO4)c2)nn1 COc1ccc(nn1)[*:1] O=C(COc1ccc2OCOc2c1)Nc1cccc(c1)[*:1]
Cc1cc(C)c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(NC(=O)CN(c2ccc(cc2)O[*:1])S(C)(=O)=O)c(C)c1
Cc1cc(C)c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 c1ccc(cc1)O[*:1] Cc1cc(C)c(NC(=O)CN(c2ccc(cc2)[*:1])S(C)(=O)=O)c(C)c1
Cc1cc(C)c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CS(=O)(=O)N(CC(=O)N[*:1])c1ccc(cc1)Oc1ccccc1
CC(C)CC(=O)C1=CN=C(C(=O)NCc2ccc(F)cc2)C1 CC(C)C[*:1] O=C(NCc1ccc(F)cc1)C1CC(=CN=1)C(=O)[*:1]
CC(C)CC(=O)C1=CN=C(C(=O)NCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CC(C)CC(=O)C1=CN=C(C1)C(=O)NC[*:1]
CC(C)CC(=O)C1=CN=C(C(=O)NCc2ccc(F)cc2)C1 CC(C)[*:1] O=C(C[*:1])C1=CN=C(C1)C(=O)NCc1ccc(F)cc1
CC(C)CC(=O)C1=CN=C(C(=O)NCc2ccc(F)cc2)C1 CC(C)CC(=O)[*:1] O=C(NCc1ccc(F)cc1)C1CC(=CN=1)[*:1]
O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(N/N=C\c1ccc(o1)[N+](=O)[O-])c1ccccc1[*:1]
O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(N/N=C\c1ccc(o1)[*:1])c1ccccc1[N+](=O)[O-]
CC(C)[C@](C)(O)CNC(=O)[C@@H]1CSC(=O)N1 CC(C)[*:1] C[C@](O)(CNC(=O)[C@@H]1CSC(=O)N1)[*:1]
COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COC(=O)C1=C(CN2CCN(CC2)c2ncccn2)NC(=O)N[C@@H]1[*:1]
COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 c1cnc(nc1)[*:1] COC(=O)C1=C(CN2CCN(CC2)[*:1])NC(=O)N[C@H]1c1cccc(Cl)c1
COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 COC(=O)[*:1] O=C1NC(CN2CCN(CC2)c2ncccn2)=C([C@@H](N1)c1cccc(Cl)c1)[*:1]
O=C(NCCn1cccn1)c1cc2sccc2n1C1CCCC1 c1cnn(c1)[*:1] O=C(NCC[*:1])c1cc2sccc2n1C1CCCC1
O=C(NCCn1cccn1)c1cc2sccc2n1C1CCCC1 c1cnn(c1)CC[*:1] O=C(N[*:1])c1cc2sccc2n1C1CCCC1
O=C(NCCn1cccn1)c1cc2sccc2n1C1CCCC1 C1CCC(C1)[*:1] O=C(NCCn1cccn1)c1cc2sccc2n1[*:1]
O=C(NCCn1cccn1)c1cc2sccc2n1C1CCCC1 c1cnn(c1)C[*:1] O=C(NC[*:1])c1cc2sccc2n1C1CCCC1
Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(N3CC[NH+](C)CC3)n2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)CNc1nc(N)c(c(n1)N1CC[NH+](C)CC1)[*:1]
Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(N3CC[NH+](C)CC3)n2)cc1 Cc1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1nc(nc(N)c1[N+](=O)[O-])NC[*:1]
Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(N3CC[NH+](C)CC3)n2)cc1 Cc1ccc(cc1)C[*:1] C[NH+]1CCN(CC1)c1nc(nc(N)c1[N+](=O)[O-])N[*:1]
Cc1cc(C)c(NC(=O)N(C)[C@@H](C)c2ccccc2F)c(Cl)n1 Fc1ccccc1[*:1] Cc1cc(C)c(NC(=O)N(C)[C@@H](C)[*:1])c(Cl)n1
CC(C)OCC[NH+]1CCCN(C(=O)c2ccccn2)CC1 CC(C)OC[*:1] O=C(c1ccccn1)N1CCC[NH+](CC1)C[*:1]
CC(C)OCC[NH+]1CCCN(C(=O)c2ccccn2)CC1 c1ccc(nc1)[*:1] CC(C)OCC[NH+]1CCCN(CC1)C(=O)[*:1]
CC(C)OCC[NH+]1CCCN(C(=O)c2ccccn2)CC1 CC(C)O[*:1] O=C(c1ccccn1)N1CCC[NH+](CC1)CC[*:1]
CC(C)OCC[NH+]1CCCN(C(=O)c2ccccn2)CC1 CC(C)OCC[*:1] O=C(c1ccccn1)N1CCC[NH+](CC1)[*:1]
CC(C)OCC[NH+]1CCCN(C(=O)c2ccccn2)CC1 CC(C)[*:1] O=C(c1ccccn1)N1CCC[NH+](CCO[*:1])CC1
O=C(CN1CCCc2ccccc21)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(CN1CCCc2ccccc21)Nc1ncc(s1)S(=O)(=O)[*:1]
O=C(CN1CCCc2ccccc21)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 O=[N+]([O-])[*:1] O=C(CN1CCCc2ccccc21)Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[*:1]
O=C(CN1CCCc2ccccc21)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 c1ccc2c(c1)CCCN2[*:1] O=C(C[*:1])Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Cc1ccc2sc(N(Cc3ccccc3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc2c1C O=C1CCC(=O)N1[*:1] Cc1ccc2sc(nc2c1C)N(Cc1ccccc1)C(=O)c1cccc(c1)[*:1]
Cc1ccc2sc(N(Cc3ccccc3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc2c1C Cc1ccc2sc(nc2c1C)[*:1] O=C1CCC(=O)N1c1cccc(c1)C(=O)N(Cc1ccccc1)[*:1]
Cc1ccc2sc(N(Cc3ccccc3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc2c1C c1ccc(cc1)[*:1] Cc1ccc2sc(nc2c1C)N(C[*:1])C(=O)c1cccc(c1)N1C(=O)CCC1=O
Cc1ccc2sc(N(Cc3ccccc3)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc2c1C c1ccc(cc1)C[*:1] Cc1ccc2sc(nc2c1C)N(C(=O)c1cccc(c1)N1C(=O)CCC1=O)[*:1]
Cc1nn2c3c(nnc2c1-c1ccccc1)C(=O)c1ccccc1-3 c1ccc(cc1)[*:1] Cc1nn2c3-c4ccccc4C(=O)c3nnc2c1[*:1]
COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)CO[*:1] COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1[*:1]
COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 COC(=O)[*:1] CC1Nc2ncnn2[C@@H](C=1[*:1])c1ccccc1OCc1ccc(Cl)cc1
COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1O[*:1]
COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OC[*:1]
COc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C COc1ccccc1[*:1] C[NH+](C)[C@@H](CNC(=O)[*:1])c1ccc2OCOc2c1
CC(=O)N[C@@H](CC(=O)N1CCc2cc(C)ccc21)c1ccc(C)cc1 CC(=O)N[*:1] Cc1ccc(cc1)[C@H](CC(=O)N1CCc2cc(C)ccc21)[*:1]
CC(=O)N[C@@H](CC(=O)N1CCc2cc(C)ccc21)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC(=O)N[C@@H](CC(=O)N1CCc2cc(C)ccc21)[*:1]
COc1ccc(OCC(=O)N[C@@H](C#N)c2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)OCC(=O)N[C@@H](C#N)[*:1]
CCC[NH2+]C[C@@H](Cc1csc(C)n1)c1ccc(F)cc1 CCC[*:1] Cc1nc(cs1)C[C@H](C[NH2+][*:1])c1ccc(F)cc1
CCC[NH2+]C[C@@H](Cc1csc(C)n1)c1ccc(F)cc1 Cc1nc(cs1)[*:1] CCC[NH2+]C[C@@H](C[*:1])c1ccc(F)cc1
CN(C(=O)[C@@H]1CC(=O)N(CC2CC2)C1)[C@H]1CCCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)[C@@H]1CC(=O)N(CC2CC2)C1)[C@H]1CCCC[C@H]1[*:1]
CN(C(=O)[C@@H]1CC(=O)N(CC2CC2)C1)[C@H]1CCCC[C@@H]1S(C)(=O)=O C1CC1[*:1] CN(C(=O)[C@@H]1CC(=O)N(C1)C[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
CN(C(=O)[C@@H]1CC(=O)N(CC2CC2)C1)[C@H]1CCCC[C@@H]1S(C)(=O)=O C1CC1C[*:1] CN(C(=O)[C@@H]1CC(=O)N(C1)[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
Cc1ccc(C(F)(F)F)cc1-c1ccc(/C=C/C(=O)[O-])s1 FC(F)(F)[*:1] Cc1ccc(cc1-c1ccc(/C=C/C(=O)[O-])s1)[*:1]
Cc1ccc(C(F)(F)F)cc1-c1ccc(/C=C/C(=O)[O-])s1 O=C([O-])C=C[*:1] Cc1ccc(cc1-c1ccc(s1)[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)cc1-c1ccc(/C=C/C(=O)[O-])s1 O=C([O-])[*:1] Cc1ccc(cc1-c1ccc(C=C[*:1])s1)C(F)(F)F
O=C(/C=C/c1ccc2ccc(Cl)cc2n1)Nc1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] O=C(/C=C/c1ccc2ccc(Cl)cc2n1)Nc1ccc(c(F)c1)[*:1]
O=C(N[C@@H]1CCc2[nH]ncc2C1)N(C[C@@H](O)c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCc2[nH]ncc2C1)N(C[C@@H](O)[*:1])C1CC1
O=C(N[C@@H]1CCc2[nH]ncc2C1)N(C[C@@H](O)c1ccccc1)C1CC1 O[C@@H](c1ccccc1)[*:1] O=C(N[C@@H]1CCc2[nH]ncc2C1)N(C[*:1])C1CC1
O=C(N[C@@H]1CCc2[nH]ncc2C1)N(C[C@@H](O)c1ccccc1)C1CC1 C1CC1[*:1] O=C(N[C@@H]1CCc2[nH]ncc2C1)N(C[C@@H](O)c1ccccc1)[*:1]
C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[*:1]
C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(C#N)cc1 Fc1ccc(c(F)c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)Nc1ccc(C#N)cc1
CCN(Cc1ccccn1)C(=O)c1cc2ccc(Br)cc2[nH]1 c1ccc(C[*:1])nc1 CCN(C(=O)c1cc2ccc(Br)cc2[nH]1)[*:1]
CCN(Cc1ccccn1)C(=O)c1cc2ccc(Br)cc2[nH]1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1cc2ccc(Br)cc2[nH]1
CCCCNC(=O)NNC(=O)Cc1cccs1 c1csc(c1)[*:1] CCCCNC(=O)NNC(=O)C[*:1]
CCCCNC(=O)NNC(=O)Cc1cccs1 CCCC[*:1] O=C(Cc1cccs1)NNC(=O)N[*:1]
CCCCNC(=O)NNC(=O)Cc1cccs1 CCC[*:1] O=C(Cc1cccs1)NNC(=O)NC[*:1]
O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1C[C@H]1[*:1]
O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] c1ccc(cc1)C[*:1] O=C(N[C@@H]1CCC[C@H]1[*:1])[C@@H]1C[C@@H]1[N+](=O)[O-]
O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(N[C@@H]1CCC[C@@H]1C[*:1])[C@@H]1C[C@@H]1[N+](=O)[O-]
O=C(c1cccs1)N1CCC(C(=O)N2CCn3c(cccc3=O)C2)CC1 c1csc(c1)[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N1CCn2c(cccc2=O)C1
COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1)C(=O)NNC(=O)CCC(=O)N[*:1]
COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 COc1ccc(cc1)[*:1] O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)[*:1]
Cn1ncnc1CCNC(=O)c1cccnc1SC(F)(F)F Cn1ncnc1[*:1] O=C(NCC[*:1])c1cccnc1SC(F)(F)F
Cn1ncnc1CCNC(=O)c1cccnc1SC(F)(F)F Cn1ncnc1C[*:1] O=C(NC[*:1])c1cccnc1SC(F)(F)F
Cn1ncnc1CCNC(=O)c1cccnc1SC(F)(F)F FC(F)(F)S[*:1] Cn1ncnc1CCNC(=O)c1cccnc1[*:1]
Cn1ncnc1CCNC(=O)c1cccnc1SC(F)(F)F FC(F)(F)[*:1] Cn1ncnc1CCNC(=O)c1cccnc1S[*:1]
CC(C)n1nccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 Clc1ccc(cc1)[*:1] CC(C)n1nccc1NC(=O)c1nn(c2CCCCCc12)[*:1]
CC(C)n1nccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 CC(C)[*:1] O=C(Nc1ccnn1[*:1])c1nn(-c2ccc(Cl)cc2)c2CCCCCc12
CC(C)n1nccc1NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 CC(C)n1nccc1[*:1] O=C(N[*:1])c1nn(-c2ccc(Cl)cc2)c2CCCCCc12
C[S@](=O)c1ccc(NC(=O)C(=O)NCC2(O)CCCCC2)cc1F OC1(CCCCC1)[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)NC[*:1]
C[S@](=O)c1ccc(NC(=O)C(=O)NCC2(O)CCCCC2)cc1F OC1(CCCCC1)C[*:1] C[S@](=O)c1ccc(cc1F)NC(=O)C(=O)N[*:1]
CC(=O)c1cccc(OCC(=O)N[C@H]2c3ccccc3C[C@H]2C)c1 CC(=O)[*:1] C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)COc1cccc(c1)[*:1]
Cc1ccn2c(NC(=O)CCc3c(C)nc4ncnn4c3C)c(-c3ccc(F)cc3)nc2c1 Cc1nc2ncnn2c(C)c1[*:1] Cc1ccn2c(NC(=O)CC[*:1])c(nc2c1)-c1ccc(F)cc1
Cc1ccn2c(NC(=O)CCc3c(C)nc4ncnn4c3C)c(-c3ccc(F)cc3)nc2c1 Fc1ccc(cc1)[*:1] Cc1ccn2c(NC(=O)CCc3c(C)nc4ncnn4c3C)c(nc2c1)[*:1]
CCC[NH+](CC(=O)NCc1ccco1)C1CCC([NH3+])CC1 CCC[*:1] [NH3+]C1CCC(CC1)[NH+](CC(=O)NCc1ccco1)[*:1]
CCC[NH+](CC(=O)NCc1ccco1)C1CCC([NH3+])CC1 c1coc(c1)[*:1] CCC[NH+](CC(=O)NC[*:1])C1CCC([NH3+])CC1
CCC[NH+](CC(=O)NCc1ccco1)C1CCC([NH3+])CC1 c1coc(c1)C[*:1] CCC[NH+](CC(=O)N[*:1])C1CCC([NH3+])CC1
C[C@@H](NC(=S)NNC(=O)c1c(N)cnn1C)c1ccccc1 Cn1ncc(N)c1[*:1] C[C@@H](NC(=S)NNC(=O)[*:1])c1ccccc1
C[C@@H](NC(=S)NNC(=O)c1c(N)cnn1C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=S)NNC(=O)c1c(N)cnn1C)[*:1]
O=C(Nc1ccccn1)c1ccc(CN2C(=O)CNC2=O)cc1 c1ccc(nc1)[*:1] O=C(N[*:1])c1ccc(cc1)CN1C(=O)CNC1=O
O=C(Nc1ccccn1)c1ccc(CN2C(=O)CNC2=O)cc1 O=C1CNC(=O)N1[*:1] O=C(Nc1ccccn1)c1ccc(cc1)C[*:1]
CO[C@H](CNC(=O)C(=O)Nc1ccccc1C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)C(=O)Nc1ccccc1C)[*:1]
CO[C@H](CNC(=O)C(=O)Nc1ccccc1C)c1ccc(F)cc1 Cc1ccccc1[*:1] CO[C@H](CNC(=O)C(=O)N[*:1])c1ccc(F)cc1
CCc1nn(C)c(OC)c1CNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 c1ccc(cc1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)[C@H](C)n1nnc(n1)[*:1]
C[C@@H](C(=O)N1CCC(c2ccncc2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCC(CC1)c1ccncc1)[*:1]
C[C@@H](C(=O)N1CCC(c2ccncc2)CC1)c1ccccc1 c1cc(ccn1)[*:1] C[C@@H](C(=O)N1CCC(CC1)[*:1])c1ccccc1
CCCc1cc(N2CC[NH+](C(C)C)CC2)nc(C)n1 CC(C)[*:1] CCCc1cc(nc(C)n1)N1CC[NH+](CC1)[*:1]
CCCc1cc(N2CC[NH+](C(C)C)CC2)nc(C)n1 CCC[*:1] Cc1nc(cc(n1)[*:1])N1CC[NH+](CC1)C(C)C
FC(F)(F)COCCN[C@@H]1CC[NH2+]C1 FC(F)(F)[*:1] C(COC[*:1])N[C@@H]1CC[NH2+]C1
c1cncc(-c2n[nH]cc2CNc2ccccc2Cn2cncn2)c1 c1ncn(C[*:1])n1 c1cncc(c1)-c1n[nH]cc1CNc1ccccc1[*:1]
c1cncc(-c2n[nH]cc2CNc2ccccc2Cn2cncn2)c1 c1ncn(n1)[*:1] c1cncc(c1)-c1n[nH]cc1CNc1ccccc1C[*:1]
c1cncc(-c2n[nH]cc2CNc2ccccc2Cn2cncn2)c1 c1cncc(c1)[*:1] c1ccc(NCc2c[nH]nc2[*:1])c(c1)Cn1cncn1
CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3COCCO3)sc2C1 CCC[*:1] O=C(Nc1nc2CC[C@H](Cc2s1)[*:1])[C@@H]1COCCO1
CCC[C@@H]1CCc2nc(NC(=O)[C@@H]3COCCO3)sc2C1 C1CO[C@@H](CO1)[*:1] CCC[C@@H]1CCc2nc(NC(=O)[*:1])sc2C1
CCc1ccccc1Oc1ccc(N)c(OC(C)C)n1 CC(C)[*:1] CCc1ccccc1Oc1ccc(N)c(n1)O[*:1]
CCc1ccccc1Oc1ccc(N)c(OC(C)C)n1 CC(C)O[*:1] CCc1ccccc1Oc1ccc(N)c(n1)[*:1]
CC(C)C(=O)NCCC[NH2+][C@@H]1CCCc2c1cnn2C CC(C)C(=O)N[*:1] Cn1ncc2c1CCC[C@H]2[NH2+]CCC[*:1]
CC(C)C(=O)NCCC[NH2+][C@@H]1CCCc2c1cnn2C CC(C)[*:1] Cn1ncc2c1CCC[C@H]2[NH2+]CCCNC(=O)[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)/C=C/c1ccccc1 Cc1cc(Br)ccc1[*:1] CN(CC(=O)N[*:1])C(=O)/C=C/c1ccccc1
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[*:1]
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C=C[*:1]
COc1ccc(C(=O)NC2CCN(C(=S)NC3CCCCC3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=S)NC1CCCCC1)[*:1]
COc1ccc(C(=O)NC2CCN(C(=S)NC3CCCCC3)CC2)cc1 C1CCC(CC1)[*:1] COc1ccc(cc1)C(=O)NC1CCN(CC1)C(=S)N[*:1]
Cc1ccc([C@H](NC(=O)NCc2ccsc2)C2CC2)cc1 c1cc(cs1)[*:1] Cc1ccc(cc1)[C@H](NC(=O)NC[*:1])C1CC1
Cc1ccc([C@H](NC(=O)NCc2ccsc2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](NC(=O)NCc1ccsc1)[*:1]
Cc1ccc([C@H](NC(=O)NCc2ccsc2)C2CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1ccsc1)N[C@H](C1CC1)[*:1]
Cc1ccc([C@H](NC(=O)NCc2ccsc2)C2CC2)cc1 c1cc(cs1)C[*:1] Cc1ccc(cc1)[C@H](NC(=O)N[*:1])C1CC1
COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(Cl)cc2)c1 COc1ccccc1[*:1] Cc1ccc(cc1C(=O)NCc1ccc(Cl)cc1)S(=O)(=O)N[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] COc1ccccc1NS(=O)(=O)c1ccc(C)c(c1)C(=O)NC[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)C[*:1] COc1ccccc1NS(=O)(=O)c1ccc(C)c(c1)C(=O)N[*:1]
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1 Fc1cccc(c1)C[*:1] Cc1cc(ccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1)O[*:1]
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1 Fc1cccc(c1)CO[*:1] Cc1cc(ccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1)[*:1]
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1 Fc1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1)OC[*:1]
CCCCOC(=O)N1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 CCC[*:1] Cn1c(C[NH+]2CCCCC2)nnc1C1CCN(CC1)C(=O)OC[*:1]
CCCCOC(=O)N1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 CCCC[*:1] Cn1c(C[NH+]2CCCCC2)nnc1C1CCN(CC1)C(=O)O[*:1]
COC(=O)c1cc(=O)nc(N/N=C/c2ccccc2)s1 COC(=O)[*:1] O=c1cc(sc(n1)N/N=C/c1ccccc1)[*:1]
COC(=O)c1cc(=O)nc(N/N=C/c2ccccc2)s1 c1ccc(cc1)[*:1] COC(=O)c1cc(=O)nc(NN=C[*:1])s1
C[C@H](CCc1ccccc1)NC(=O)c1ccco1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)c1ccco1
C[C@H](CCc1ccccc1)NC(=O)c1ccco1 c1coc(c1)[*:1] C[C@H](CCc1ccccc1)NC(=O)[*:1]
O=C(C[C@H](NC(=O)C(F)(F)F)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@H](NC(=O)C(F)(F)F)[*:1])c1ccccc1
O=C(C[C@H](NC(=O)C(F)(F)F)c1ccccc1)c1ccccc1 FC(F)(F)[*:1] O=C(C[C@H](NC(=O)[*:1])c1ccccc1)c1ccccc1
O=C(C[C@H](NC(=O)C(F)(F)F)c1ccccc1)c1ccccc1 O=C(N[*:1])C(F)(F)F O=C(C[C@H](c1ccccc1)[*:1])c1ccccc1
O=C(C[C@H](NC(=O)C(F)(F)F)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H](CC(=O)[*:1])c1ccccc1)C(F)(F)F
CC[C@@H](C#N)NC(=O)c1c(F)ccc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] CC[C@@H](C#N)NC(=O)c1c(F)ccc(c1F)[*:1]
CC[C@@H](C#N)NC(=O)c1c(F)ccc([N+](=O)[O-])c1F CC[C@@H](C#N)[*:1] O=C(N[*:1])c1c(F)ccc(c1F)[N+](=O)[O-]
Cc1ccc(COCc2ccc3c(c2)CN(C(=O)Nc2ccccc2)CCO3)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1)N1CCOc2ccc(cc2C1)COC[*:1]
Cc1ccc(COCc2ccc3c(c2)CN(C(=O)Nc2ccccc2)CCO3)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)COCc1ccc2OCCN(Cc2c1)C(=O)N[*:1]
Cc1ccc(COCc2ccc3c(c2)CN(C(=O)Nc2ccccc2)CCO3)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1ccccc1)N1CCOc2ccc(cc2C1)CO[*:1]
Cc1ccc(COCc2ccc3c(c2)CN(C(=O)Nc2ccccc2)CCO3)cc1 Cc1ccc(cc1)COC[*:1] O=C(Nc1ccccc1)N1CCOc2ccc(cc2C1)[*:1]
Cc1ccc(COCc2ccc3c(c2)CN(C(=O)Nc2ccccc2)CCO3)cc1 Cc1ccc(cc1)CO[*:1] O=C(Nc1ccccc1)N1CCOc2ccc(cc2C1)C[*:1]
CCC(=O)N1CCN(c2nc(N3CCCC3)cc(C)[nH+]2)CC1 C1CCN(C1)[*:1] CCC(=O)N1CCN(CC1)c1nc(cc(C)[nH+]1)[*:1]
CCn1cc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)c(C(N)=O)n1 Cc1noc(C)c1[*:1] CCn1cc(NC(=O)c2ccc(C[*:1])o2)c(n1)C(N)=O
CCn1cc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)c(C(N)=O)n1 NC(=O)[*:1] CCn1cc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)c(n1)[*:1]
CCn1cc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)c(C(N)=O)n1 Cc1noc(C)c1C[*:1] CCn1cc(NC(=O)c2ccc(o2)[*:1])c(n1)C(N)=O
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)CNc1ccccc1 c1ccc(cc1)NC[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)[*:1]
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)CNc1ccccc1 Cc1cc(Cl)ccc1[*:1] C[C@H](O[*:1])C(=O)NNC(=O)CNc1ccccc1
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)CNc1ccccc1 c1ccc(cc1)N[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)C[*:1]
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)CNc1ccccc1 c1ccc(cc1)[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)CN[*:1]
Cc1ccc(CCCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)s1 Cc1ccc(C[*:1])s1 CN(C)c1ccc(NC(=O)CC[*:1])c(c1)C(F)(F)F
Cc1ccc(CCCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)s1 Cc1ccc(CC[*:1])s1 CN(C)c1ccc(NC(=O)C[*:1])c(c1)C(F)(F)F
Cc1ccc(CCCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)s1 Cc1ccc(s1)[*:1] CN(C)c1ccc(NC(=O)CCC[*:1])c(c1)C(F)(F)F
Cc1ccc(CCCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)s1 FC(F)(F)[*:1] Cc1ccc(CCCC(=O)Nc2ccc(cc2[*:1])N(C)C)s1
Cc1ccc(CCCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)s1 CN(C)[*:1] Cc1ccc(CCCC(=O)Nc2ccc(cc2C(F)(F)F)[*:1])s1
CCC[C@@H]1C[C@@]2(O)C[C@](C#N)(C(=O)N2)C1(C#N)C#N CCC[*:1] N#CC1(C#N)[C@@H](C[C@@]2(O)C[C@]1(C#N)C(=O)N2)[*:1]
Cc1ccccc1NC(=S)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] Cc1ccccc1NC(=S)Nc1ccc(C)c(c1)[*:1]
Cc1ccccc1NC(=S)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 Cc1ccccc1[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=S)N[*:1]
CC(=O)NC(C)(C)c1noc(C(=O)c2ccc(C)cc2)n1 CC(=O)N[*:1] Cc1ccc(cc1)C(=O)c1nc(no1)C(C)(C)[*:1]
CC(=O)NC(C)(C)c1noc(C(=O)c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CC(=O)NC(C)(C)c1noc(n1)C(=O)[*:1]
CC(=O)NC(C)(C)c1noc(C(=O)c2ccc(C)cc2)n1 CC(=O)NC(C)(C)[*:1] Cc1ccc(cc1)C(=O)c1nc(no1)[*:1]
O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccc2ccccc2n1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc2CCCN(c2c1)S(=O)(=O)[*:1])c1ccc2ccccc2n1
O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccc2ccccc2n1 c1ccc2nc(ccc2c1)[*:1] O=C(Nc1ccc2CCCN(c2c1)S(=O)(=O)c1ccc(F)cc1)[*:1]
CCn1c2ccccc2c2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)nc21 O=[N+]([O-])c1cccc(c1)[*:1] CCn1c2ccccc2c2nnc(nc21)NN=C[*:1]
CCn1c2ccccc2c2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)nc21 O=[N+]([O-])[*:1] CCn1c2ccccc2c2nnc(nc21)N/N=C/c1cccc(c1)[*:1]
CO[C@H](C)/C(N)=N/OCc1nc(-c2ccc(C)cc2)no1 Cc1ccc(cc1)[*:1] CO[C@H](C)/C(N)=N/OCc1nc(no1)[*:1]
O=C(N[C@H]1[NH+]=C(C2CCCCC2)c2ccccc2NC1=O)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H]1[NH+]=C(c2ccccc2NC1=O)C1CCCCC1)OC[*:1]
O=C(N[C@H]1[NH+]=C(C2CCCCC2)c2ccccc2NC1=O)OCc1ccccc1 C1CCC(CC1)[*:1] O=C(N[C@H]1[NH+]=C(c2ccccc2NC1=O)[*:1])OCc1ccccc1
O=C(N[C@H]1[NH+]=C(C2CCCCC2)c2ccccc2NC1=O)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(N[C@H]1[NH+]=C(c2ccccc2NC1=O)C1CCCCC1)O[*:1]
COc1ccc2oc(-c3csc(NC(=O)Cc4ccc(S(C)(=O)=O)cc4)n3)cc2c1 CS(=O)(=O)[*:1] COc1ccc2oc(cc2c1)-c1csc(n1)NC(=O)Cc1ccc(cc1)[*:1]
COc1ccc2oc(-c3csc(NC(=O)Cc4ccc(S(C)(=O)=O)cc4)n3)cc2c1 CS(=O)(=O)c1ccc(cc1)[*:1] COc1ccc2oc(cc2c1)-c1csc(n1)NC(=O)C[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 Fc1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@@H](N(C(=O)c1csnn1)C1CC1)[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 O=C(NC1CCCCC1)[*:1] O=C(c1csnn1)N(C1CC1)[C@H](c1ccc(F)cc1)[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 C1CC1[*:1] O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)[*:1]
O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 c1snnc1[*:1] O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)[*:1])C1CC1
O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@@H](c1ccc(F)cc1)N(C(=O)c1csnn1)C1CC1
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)cc(Cl)c1OC CCOC(=O)[*:1] COc1c(Cl)cc(Cl)cc1[C@H]1C2C(=O)CC(C)(C)CC=2OC(N)=C1[*:1]
COC(=O)Nc1cccc(C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)c1 COC(=O)N[*:1] Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)c1cccc(c1)[*:1]
COC(=O)Nc1cccc(C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)c1 Cc1cc(C)cc(c1)[*:1] COC(=O)Nc1cccc(c1)C(=O)N1CC=C(CC1)[*:1]
COCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc2ccccc2c1 COCC[*:1] O=C1c2ccccc2N[C@H](c2ccc3ccccc3c2)N1C[*:1]
COCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc2ccccc2c1 COCCC[*:1] O=C1c2ccccc2N[C@H](c2ccc3ccccc3c2)N1[*:1]
COCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc2ccccc2c1 COC[*:1] O=C1c2ccccc2N[C@H](c2ccc3ccccc3c2)N1CC[*:1]
COc1ccccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O O=[N+]([O-])[*:1] COc1ccccc1NC(=O)CN1C(=O)c2ccc(cc2C1=O)[*:1]
COc1ccccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O COc1ccccc1[*:1] O=C(CN1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-])N[*:1]
Cc1cc(N)ccc1NC(=O)Cc1cccs1 c1csc(c1)[*:1] Cc1cc(N)ccc1NC(=O)C[*:1]
Cc1cccc(C2(CNC(=O)c3ccc[n+]([O-])c3)CCCCC2)c1 [O-][n+]1cccc(c1)[*:1] Cc1cccc(c1)C1(CCCCC1)CNC(=O)[*:1]
Cc1cccc(C2(CNC(=O)c3ccc[n+]([O-])c3)CCCCC2)c1 Cc1cccc(c1)[*:1] O=C(NCC1(CCCCC1)[*:1])c1ccc[n+]([O-])c1
C[C@H](CC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H](CC(=O)N1CCC[C@@H]1c1cccc2OCCOc21)NC(=O)[*:1]
C[C@H](CC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2)NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 C[C@H](CC(=O)N1CCC[C@@H]1c1cccc2OCCOc21)[*:1]
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C1CCN(CC1)[*:1]
COC1CC[NH+](CCNC(=O)Nc2ccc(OC(C)C)cc2F)CC1 CC(C)O[*:1] COC1CC[NH+](CCNC(=O)Nc2ccc(cc2F)[*:1])CC1
COC1CC[NH+](CCNC(=O)Nc2ccc(OC(C)C)cc2F)CC1 CC(C)[*:1] COC1CC[NH+](CCNC(=O)Nc2ccc(cc2F)O[*:1])CC1
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CC1(O)CCCC1 OC1(CCCC1)[*:1] C[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)C[*:1]
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CC1(O)CCCC1 FC(F)(F)[*:1] C[C@@H](Cc1ccc(cc1)[*:1])NC(=O)CC1(O)CCCC1
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CC1(O)CCCC1 OC1(CCCC1)C[*:1] C[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)[*:1]
CC1=C2C=C(C(=O)NCCCc3[nH]nc(N)c3C#N)S[C@@H]2N(Cc2ccc(Cl)cc2)N1 N#Cc1c(N)n[nH]c1C[*:1] CC1NN(Cc2ccc(Cl)cc2)[C@H]2SC(=CC=12)C(=O)NCC[*:1]
CC1=C2C=C(C(=O)NCCCc3[nH]nc(N)c3C#N)S[C@@H]2N(Cc2ccc(Cl)cc2)N1 N#Cc1c(N)n[nH]c1[*:1] CC1NN(Cc2ccc(Cl)cc2)[C@H]2SC(=CC=12)C(=O)NCCC[*:1]
CC1=C2C=C(C(=O)NCCCc3[nH]nc(N)c3C#N)S[C@@H]2N(Cc2ccc(Cl)cc2)N1 Clc1ccc(cc1)[*:1] CC1NN(C[*:1])[C@H]2SC(=CC=12)C(=O)NCCCc1[nH]nc(N)c1C#N
CC1=C2C=C(C(=O)NCCCc3[nH]nc(N)c3C#N)S[C@@H]2N(Cc2ccc(Cl)cc2)N1 N#Cc1c(N)n[nH]c1CC[*:1] CC1NN(Cc2ccc(Cl)cc2)[C@H]2SC(=CC=12)C(=O)NC[*:1]
CC1=C2C=C(C(=O)NCCCc3[nH]nc(N)c3C#N)S[C@@H]2N(Cc2ccc(Cl)cc2)N1 Clc1ccc(cc1)C[*:1] CC1NN([C@H]2SC(=CC=12)C(=O)NCCCc1[nH]nc(N)c1C#N)[*:1]
CCn1cc[nH+]c1C[C@@H](O)c1ccc(CC(C)C)cc1 CC(C)[*:1] CCn1cc[nH+]c1C[C@@H](O)c1ccc(cc1)C[*:1]
CCn1cc[nH+]c1C[C@@H](O)c1ccc(CC(C)C)cc1 CC(C)C[*:1] CCn1cc[nH+]c1C[C@@H](O)c1ccc(cc1)[*:1]
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@@H]2c1ccccc1F Fc1ccccc1[*:1] COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@H]2[*:1]
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@@H]2c1ccccc1F C1CO[C@@H](C1)[*:1] COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[*:1])[C@@H]2c1ccccc1F
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@@H]2c1ccccc1F COc1ccccc1[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@H](C=1C(=O)OC[C@@H]1CCCO1)c1ccccc1F)[*:1]
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@@H]2c1ccccc1F O=C(OC[C@@H]1CCCO1)[*:1] COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C([C@@H]2c1ccccc1F)[*:1]
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@@H]2c1ccccc1F C1CO[C@@H](C1)C[*:1] COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)O[*:1])[C@@H]2c1ccccc1F
CCOc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1F CCO[*:1] O=C1CCCN1c1cccc(c1)NS(=O)(=O)c1ccc(c(F)c1)[*:1]
CCOc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1F O=C1CCCN1[*:1] CCOc1ccc(cc1F)S(=O)(=O)Nc1cccc(c1)[*:1]
COCCCNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C COCC[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC[*:1]
COCCCNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C COC[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCC[*:1]
COCCCNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C COCCC[*:1] Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)N(C)C[C@@H]3CCC[C@@H]3O)CCC2=O)cc1C Cc1ccc(cc1C)[*:1] CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@H]1CCC(=O)N(C1)[*:1]
Cc1[nH]c(S[C@@H](C)C(=O)N2CCOCC2)nc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(nc1C[*:1])S[C@@H](C)C(=O)N1CCOCC1
Cc1[nH]c(S[C@@H](C)C(=O)N2CCOCC2)nc1Cc1ccccc1 O=C(N1CCOCC1)[*:1] Cc1[nH]c(nc1Cc1ccccc1)S[C@@H](C)[*:1]
Cc1[nH]c(S[C@@H](C)C(=O)N2CCOCC2)nc1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH]c(nc1[*:1])S[C@@H](C)C(=O)N1CCOCC1
O=C(CSc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 Clc1ccc(cc1)S[*:1] O=C(C[*:1])N1CCC[C@@H]1c1ccc2OCCOc2c1
O=C(CSc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 Clc1ccc(cc1)[*:1] O=C(CS[*:1])N1CCC[C@@H]1c1ccc2OCCOc2c1
Cc1cc(N2CCC[C@H]2C2CCCC2)cc(C(=O)[O-])c1N O=C([O-])[*:1] Cc1cc(cc(c1N)[*:1])N1CCC[C@H]1C1CCCC1
Cc1cc(N2CCC[C@H]2C2CCCC2)cc(C(=O)[O-])c1N C1CCC(C1)[*:1] Cc1cc(cc(C(=O)[O-])c1N)N1CCC[C@@H]1[*:1]
N#Cc1ccc(Oc2cccc(OCc3ccccc3)c2)cc1C#N c1ccc(cc1)[*:1] N#Cc1ccc(cc1C#N)Oc1cccc(c1)OC[*:1]
N#Cc1ccc(Oc2cccc(OCc3ccccc3)c2)cc1C#N c1ccc(cc1)C[*:1] N#Cc1ccc(cc1C#N)Oc1cccc(c1)O[*:1]
N#Cc1ccc(Oc2cccc(OCc3ccccc3)c2)cc1C#N c1ccc(cc1)CO[*:1] N#Cc1ccc(cc1C#N)Oc1cccc(c1)[*:1]
O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]Cc1cn2ccsc2n1 c1cn2cc(nc2s1)[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]C[*:1])Cc1ccc(F)cc1
O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]Cc1cn2ccsc2n1 Fc1ccc(cc1)[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]Cc1cn2ccsc2n1)C[*:1]
O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]Cc1cn2ccsc2n1 Fc1ccc(cc1)C[*:1] O=C1N(CCC[C@@]1(O)C[NH2+]Cc1cn2ccsc2n1)[*:1]
Cc1ccccc1/C=N/NC(=O)c1cccs1 c1csc(c1)[*:1] Cc1ccccc1/C=N/NC(=O)[*:1]
Cc1ccc(NC(=O)c2nnc(CSCC(=O)N3CCCCC3)s2)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)NC(=O)c1nnc(CSC[*:1])s1
Cc1ccc(NC(=O)c2nnc(CSCC(=O)N3CCCCC3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(CSCC(=O)N2CCCCC2)s1
COc1ccc2c(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)coc2c1 O=S(=O)(N1CCCC1)[*:1] COc1ccc2c(coc2c1)CC(=O)Nc1cccc(c1)[*:1]
CCc1nc2cc(NC(=O)[C@@H]3CC[C@@H](CNC(=O)OC(C)(C)C)O3)ccc2o1 CC(C)(C)OC(=O)N[*:1] CCc1nc2cc(ccc2o1)NC(=O)[C@@H]1CC[C@@H](C[*:1])O1
CCc1nc2cc(NC(=O)[C@@H]3CC[C@@H](CNC(=O)OC(C)(C)C)O3)ccc2o1 CC(C)(C)OC(=O)NC[*:1] CCc1nc2cc(ccc2o1)NC(=O)[C@@H]1CC[C@@H](O1)[*:1]
CCc1nc2cc(NC(=O)[C@@H]3CC[C@@H](CNC(=O)OC(C)(C)C)O3)ccc2o1 CC(C)(C)[*:1] CCc1nc2cc(ccc2o1)NC(=O)[C@@H]1CC[C@@H](CNC(=O)O[*:1])O1
Cc1ccnn1CCC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 c1ccc(cc1)O[*:1] Cc1ccnn1CCC(=O)N1CCC[C@@H](C1)c1nccnc1[*:1]
Cc1ccnn1CCC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 Cc1ccnn1[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)c1nccnc1Oc1ccccc1
Cc1ccnn1CCC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccnn1CCC(=O)N1CCC[C@@H](C1)c1nccnc1O[*:1]
Cc1ccnn1CCC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 Cc1ccnn1C[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1nccnc1Oc1ccccc1
Cc1ccnn1CCC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 Cc1ccnn1CC[*:1] O=C(N1CCC[C@@H](C1)c1nccnc1Oc1ccccc1)[*:1]
CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccccc3Cl)n2)cc1 Clc1ccccc1[*:1] CCOc1ccc(cc1)-c1ccc(=O)n(CCNC(=O)[*:1])n1
CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccccc3Cl)n2)cc1 CCOc1ccc(cc1)[*:1] O=C(NCCn1nc(ccc1=O)[*:1])c1ccccc1Cl
CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccccc3Cl)n2)cc1 CCO[*:1] O=C(NCCn1nc(ccc1=O)-c1ccc(cc1)[*:1])c1ccccc1Cl
CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@H]1CC(=O)Nc2ccccc21 Clc1cccc(c1)C[*:1] CC(C)(C(=O)NC[C@H]1CC(=O)Nc2ccccc21)[*:1]
CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@H]1CC(=O)Nc2ccccc21 Clc1cccc(c1)[*:1] CC(C)(C[*:1])C(=O)NC[C@H]1CC(=O)Nc2ccccc21
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC1CCCCCC1 O=S(=O)(N1CCCC1)[*:1] O=[N+]([O-])c1cc(ccc1NC1CCCCCC1)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC1CCCCCC1 O=[N+]([O-])[*:1] O=S(=O)(c1ccc(NC2CCCCCC2)c(c1)[*:1])N1CCCC1
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC1CCCCCC1 C1CCCC(CC1)N[*:1] O=[N+]([O-])c1cc(ccc1[*:1])S(=O)(=O)N1CCCC1
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC1CCCCCC1 C1CCCC(CC1)[*:1] O=[N+]([O-])c1cc(ccc1N[*:1])S(=O)(=O)N1CCCC1
CC(C)c1cc(C(=O)Nc2ccc3oc(=O)n(C)c3c2)on1 CC(C)[*:1] Cn1c(=O)oc2ccc(cc21)NC(=O)c1cc(no1)[*:1]
CC(=O)N1CCN(CCNC(=O)Nc2ccccn2)CC1 c1ccc(nc1)[*:1] CC(=O)N1CCN(CCNC(=O)N[*:1])CC1
Cc1ccc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2n1 FC(F)(F)[*:1] Cc1ccc2oc(cc2n1)C(=O)Nc1cccc(c1)[*:1]
Cc1c([C@@H](C)OC(=O)C(C)(C)NS(C)(=O)=O)oc2ccccc12 CS(=O)(=O)N[*:1] Cc1c(oc2ccccc12)[C@@H](C)OC(=O)C(C)(C)[*:1]
CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)C[*:1] CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(C1)C[*:1]
CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 c1ccc2oc(nc2c1)[*:1] CN(C[*:1])C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1
O=S(=O)(/N=C(\[O-])CCc1cc(F)ccc1F)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=S(=O)(/N=C(\[O-])CCc1cc(F)ccc1F)c1cccc(c1)[*:1]
O=S(=O)(/N=C(\[O-])CCc1cc(F)ccc1F)c1cccc(-n2cnnn2)c1 Fc1ccc(F)c(c1)C[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1cccc(c1)-n1cnnn1
O=S(=O)(/N=C(\[O-])CCc1cc(F)ccc1F)c1cccc(-n2cnnn2)c1 Fc1ccc(F)c(c1)[*:1] O=S(=O)(/N=C(\[O-])CC[*:1])c1cccc(c1)-n1cnnn1
Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] Cc1ccc(cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1)[*:1]
COCCN1C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)CCC1=O COCC[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
COCCN1C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)CCC1=O N#Cc1cccnc1[*:1] COCCN1C[C@@H](CCC1=O)C(=O)N1CCN(CC1)[*:1]
COCCN1C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)CCC1=O COC[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)[C@@H]1CCC(=O)N(C1)C[*:1]
CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)CC1 c1ccc(cc1)[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)N[C@H](C)c1nc(C[*:1])no1
CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)CC1 CC(C)[*:1] C[C@@H](NC(=O)N1CC[NH+](CC1)C[*:1])c1nc(Cc2ccccc2)no1
CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)CC1 CC(C)C[*:1] C[C@@H](NC(=O)N1CC[NH+](CC1)[*:1])c1nc(Cc2ccccc2)no1
CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)CC1 c1ccc(cc1)C[*:1] CC(C)C[NH+]1CCN(CC1)C(=O)N[C@H](C)c1nc(no1)[*:1]
O=C(C[C@H](c1ccccc1)C(F)(F)F)NC[C@]1(O)CCSC1 c1ccc(cc1)[*:1] O=C(C[C@H](C(F)(F)F)[*:1])NC[C@]1(O)CCSC1
O=C(C[C@H](c1ccccc1)C(F)(F)F)NC[C@]1(O)CCSC1 FC(F)(F)[*:1] O=C(C[C@H](c1ccccc1)[*:1])NC[C@]1(O)CCSC1
O=C([C@@H]1SC(=S)n2c1nc(=O)c1cc(Cl)ccc12)N1CCCC1 O=C(N1CCCC1)[*:1] O=c1nc2[C@@H](SC(=S)n2c2ccc(Cl)cc12)[*:1]
CN(C)C(=O)CCCC(=O)Nc1ccccc1OC1CCCC1 CN(C)C(=O)[*:1] O=C(CCC[*:1])Nc1ccccc1OC1CCCC1
CN(C)C(=O)CCCC(=O)Nc1ccccc1OC1CCCC1 C1CCC(C1)O[*:1] CN(C)C(=O)CCCC(=O)Nc1ccccc1[*:1]
CN(C)C(=O)CCCC(=O)Nc1ccccc1OC1CCCC1 CN(C)C(=O)CC[*:1] O=C(C[*:1])Nc1ccccc1OC1CCCC1
CN(C)C(=O)CCCC(=O)Nc1ccccc1OC1CCCC1 C1CCC(C1)[*:1] CN(C)C(=O)CCCC(=O)Nc1ccccc1O[*:1]
CN(C)C(=O)CCCC(=O)Nc1ccccc1OC1CCCC1 CN(C)C(=O)C[*:1] O=C(CC[*:1])Nc1ccccc1OC1CCCC1
CC[C@@H](NC(=O)c1ccc([S@@](=O)C(C)C)cc1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@@H](NC(=O)c1ccc(cc1)[S@@](=O)C(C)C)[*:1]
CC[C@@H](NC(=O)c1ccc([S@@](=O)C(C)C)cc1)c1ccc(OC)cc1 CC(C)[*:1] CC[C@@H](NC(=O)c1ccc(cc1)[S@@](=O)[*:1])c1ccc(cc1)OC
Cc1ccc(-n2nnc(C(=O)NC(C)C)c2C)cc1 CC(C)NC(=O)[*:1] Cc1ccc(cc1)-n1nnc(c1C)[*:1]
Cc1ccc(-n2nnc(C(=O)NC(C)C)c2C)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N[*:1])c1C
Cc1cc(NC(=O)CSCC(=O)c2ccccc2)ccc1C(=O)N(C)C c1ccc(cc1)[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)CSCC(=O)[*:1]
Cc1cc(NC(=O)CSCC(=O)c2ccccc2)ccc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)CSCC(=O)c1ccccc1
Cc1cc(NC(=O)CSCC(=O)c2ccccc2)ccc1C(=O)N(C)C O=C(c1ccccc1)[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)CSC[*:1]
COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3sc(C)nc3C)nc12 C1CN(CCO1)[*:1] COc1ccc(C)c2sc(nc12)N(CCC[*:1])C(=O)c1sc(C)nc1C
COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3sc(C)nc3C)nc12 C1CN(CCO1)CC[*:1] COc1ccc(C)c2sc(nc12)N(C[*:1])C(=O)c1sc(C)nc1C
COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3sc(C)nc3C)nc12 C(CN1CCOCC1)C[*:1] COc1ccc(C)c2sc(nc12)N(C(=O)c1sc(C)nc1C)[*:1]
COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3sc(C)nc3C)nc12 Cc1nc(C)c(s1)[*:1] COc1ccc(C)c2sc(nc12)N(CCCN1CCOCC1)C(=O)[*:1]
COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3sc(C)nc3C)nc12 C1CN(CCO1)C[*:1] COc1ccc(C)c2sc(nc12)N(CC[*:1])C(=O)c1sc(C)nc1C
CCCCS[C@H](C)C(=O)Nc1nc(C)cs1 CCC[*:1] Cc1csc(n1)NC(=O)[C@@H](C)SC[*:1]
CCCCS[C@H](C)C(=O)Nc1nc(C)cs1 CCCCS[*:1] Cc1csc(n1)NC(=O)[C@@H](C)[*:1]
CCCCS[C@H](C)C(=O)Nc1nc(C)cs1 CCCC[*:1] Cc1csc(n1)NC(=O)[C@@H](C)S[*:1]
C[C@@H](OC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)C(=O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H](OC(=O)[C@H]1CCCN(C1)C1=NS(=O)(=O)c2ccccc21)C(=O)[*:1]
C[C@@H](OC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)C(=O)c1c[nH]c2ccccc12 O=C(c1c[nH]c2ccccc12)[*:1] C[C@@H](OC(=O)[C@H]1CCCN(C1)C1=NS(=O)(=O)c2ccccc21)[*:1]
CSc1ccc(NC(=O)CNC(=O)c2ccccc2I)cc1 Ic1ccccc1[*:1] CSc1ccc(cc1)NC(=O)CNC(=O)[*:1]
C[C@@H]1CN(C(=O)NC(c2ccccc2)c2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)NC(c1ccccc1)[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CC2CCCC2)cc1 C1CCC(CC1)[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)CC1CCCC1)[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CC2CCCC2)cc1 C1CCC(C1)[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)NC(=O)C[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CC2CCCC2)cc1 C1CCC(C1)C[*:1] CN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1nnnn1CCC(=O)N1CCc2[nH]nc(-c3cccc4ccccc34)c2C1 Cc1nnnn1C[*:1] O=C(C[*:1])N1CCc2[nH]nc(c2C1)-c1cccc2ccccc12
Cc1nnnn1CCC(=O)N1CCc2[nH]nc(-c3cccc4ccccc34)c2C1 Cc1nnnn1CC[*:1] O=C(N1CCc2[nH]nc(c2C1)-c1cccc2ccccc12)[*:1]
Cc1nnnn1CCC(=O)N1CCc2[nH]nc(-c3cccc4ccccc34)c2C1 Cc1nnnn1[*:1] O=C(CC[*:1])N1CCc2[nH]nc(c2C1)-c1cccc2ccccc12
Cc1ocnc1CNC(=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] Cc1ocnc1CNC(=O)N1CCN(CC1)[*:1]
Cc1ocnc1CNC(=O)N1CCN(c2nccs2)CC1 Cc1ocnc1C[*:1] O=C(N[*:1])N1CCN(CC1)c1nccs1
Cc1ocnc1CNC(=O)N1CCN(c2nccs2)CC1 Cc1ocnc1[*:1] O=C(NC[*:1])N1CCN(CC1)c1nccs1
CCCn1cc[nH+]c1Cc1cccc(C[NH2+]C(C)C)c1 CCC[*:1] CC(C)[NH2+]Cc1cccc(c1)Cc1[nH+]ccn1[*:1]
CCCn1cc[nH+]c1Cc1cccc(C[NH2+]C(C)C)c1 CC(C)[*:1] CCCn1cc[nH+]c1Cc1cccc(c1)C[NH2+][*:1]
CCCn1cc[nH+]c1Cc1cccc(C[NH2+]C(C)C)c1 CC(C)[NH2+]C[*:1] CCCn1cc[nH+]c1Cc1cccc(c1)[*:1]
CC(=O)Oc1ccccc1/C=c1\sc2nc(C)nn2c1=O CC(=O)O[*:1] Cc1nc2s/c(=C\c3ccccc3[*:1])c(=O)n2n1
CC1(c2ccc(C(=O)[O-])cc2)CC1 O=C([O-])[*:1] CC1(CC1)c1ccc(cc1)[*:1]
CC1(c2ccc(C(=O)[O-])cc2)CC1 CC1(CC1)[*:1] O=C([O-])c1ccc(cc1)[*:1]
Nc1ccc(S(=O)(=O)c2ccc(NCCO)cc2)cc1 OCCN[*:1] Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[*:1]
Nc1ccc(S(=O)(=O)c2ccc(NCCO)cc2)cc1 OCC[*:1] Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N[*:1]
C=Cc1ccc(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)OC)cc32)cc1 COC(=O)[*:1] C=Cc1ccc(cc1)CN1C(=O)c2ccccc2S(=O)(=O)c2ccc(cc21)[*:1]
C=Cc1ccc(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)OC)cc32)cc1 C=Cc1ccc(cc1)C[*:1] COC(=O)c1ccc2c(c1)N(C(=O)c1ccccc1S2(=O)=O)[*:1]
C=Cc1ccc(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)OC)cc32)cc1 C=Cc1ccc(cc1)[*:1] COC(=O)c1ccc2c(c1)N(C[*:1])C(=O)c1ccccc1S2(=O)=O
CC(=O)N[C@@H](C(=O)N1CC[S@](=O)C(C)(C)C1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)N1CC[S@](=O)C(C)(C)C1)[*:1]
CC(=O)N[C@@H](C(=O)N1CC[S@](=O)C(C)(C)C1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)N1CC[S@](=O)C(C)(C)C1)[*:1]
O=c1c2ccccc2nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1-c1ccccc1 O=[N+]([O-])[*:1] O=c1c2ccccc2nc(SCc2cc(cc3COCOc32)[*:1])n1-c1ccccc1
O=c1c2ccccc2nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c2ccccc2nc(SCc2cc(cc3COCOc32)[N+](=O)[O-])n1[*:1]
CC(=O)C1=C(C(=O)[O-])S[C@H]2CCCCC2=[NH+]1 O=C([O-])[*:1] CC(=O)C1[NH+]=C2CCCC[C@@H]2SC=1[*:1]
CC(=O)C1=C(C(=O)[O-])S[C@H]2CCCCC2=[NH+]1 CC(=O)[*:1] O=C([O-])C1S[C@H]2CCCCC2=[NH+]C=1[*:1]
C[C@](O)(CNS(=O)(=O)c1ccccc1F)c1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNS(=O)(=O)c1ccccc1F)[*:1]
C[C@](O)(CNS(=O)(=O)c1ccccc1F)c1ccccc1 Fc1ccccc1[*:1] C[C@](O)(CNS(=O)(=O)[*:1])c1ccccc1
CC[C@H](C)n1ncc(C(=O)N2CCC(c3nc(C)no3)CC2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)N2CCC(CC2)c2nc(C)no2)c1[*:1]
CC[C@H](C)n1ncc(C(=O)N2CCC(c3nc(C)no3)CC2)c1C1CC1 Cc1noc(n1)[*:1] CC[C@H](C)n1ncc(C(=O)N2CCC(CC2)[*:1])c1C1CC1
O=C(NC(=S)c1ccccc1)Nc1ccccc1Cl c1ccc(cc1)[*:1] O=C(NC(=S)[*:1])Nc1ccccc1Cl
COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(Br)c(C)c3)c2C)cc1Cl Cc1cc(ccc1Br)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1nnc(C(=O)N[*:1])c1C
COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(Br)c(C)c3)c2C)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1cc(ccc1Br)NC(=O)c1nnn(CC(=O)N[*:1])c1C
CCO[C@H]1[C@@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21 CCO[*:1] C1CCC2(CC1)OC[C@H](O2)[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]1[*:1]
CC1CCN([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 CC1CCN(CC1)[*:1] O=C(NC1CCCC1)[C@@H](c1cc2OCOc2cc1[N+](=O)[O-])[*:1]
CC1CCN([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 O=C(NC1CCCC1)[*:1] CC1CCN(CC1)[C@@H](c1cc2OCOc2cc1[N+](=O)[O-])[*:1]
CC1CCN([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 C1CCC(C1)[*:1] CC1CCN(CC1)[C@@H](C(=O)N[*:1])c1cc2OCOc2cc1[N+](=O)[O-]
CC1CCN([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 O=[N+]([O-])[*:1] CC1CCN(CC1)[C@@H](C(=O)NC1CCCC1)c1cc2OCOc2cc1[*:1]
O=C(COc1ccc(F)cc1)NNC(=O)Cc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(COc1ccc(F)cc1)NNC(=O)C[*:1]
O=C(COc1ccc(F)cc1)NNC(=O)Cc1cccc(F)c1 Fc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=O)Cc1cccc(F)c1
CCOc1cccc2c1O[C@@]1(C)[C@@H](C(=O)N(C)C)[C@@H]2NC(=S)N1c1ccc(Cl)cc1 CN(C)C(=O)[*:1] CCOc1cccc2c1O[C@@]1(C)[C@@H]([C@@H]2NC(=S)N1c1ccc(Cl)cc1)[*:1]
CCOc1cccc2c1O[C@@]1(C)[C@@H](C(=O)N(C)C)[C@@H]2NC(=S)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOc1cccc2c1O[C@@]1(C)[C@@H](C(=O)N(C)C)[C@@H]2NC(=S)N1[*:1]
CCOc1cccc2c1O[C@@]1(C)[C@@H](C(=O)N(C)C)[C@@H]2NC(=S)N1c1ccc(Cl)cc1 CCO[*:1] CN(C)C(=O)[C@H]1[C@@H]2NC(=S)N(c3ccc(Cl)cc3)[C@@]1(C)Oc1c2cccc1[*:1]
CCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccncc1C)CC2 Cc1cnccc1[*:1] CCC(=O)N1CCC[C@@H]1c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
CCCCS(=O)(=O)CCN1C(=O)NC(C)(C)C1=O CCC[*:1] CC1(C)NC(=O)N(CCS(=O)(=O)C[*:1])C1=O
CCCCS(=O)(=O)CCN1C(=O)NC(C)(C)C1=O CCCC[*:1] CC1(C)NC(=O)N(CCS(=O)(=O)[*:1])C1=O
CC1=N[C@H](CN2CCc3c(c(C(=O)N4CCOCC4)nn3CCCc3ccccc3)C2)N=C1 c1ccc(cc1)C[*:1] CC1C=N[C@@H](CN2CCc3c(C2)c(nn3CC[*:1])C(=O)N2CCOCC2)N=1
CC1=N[C@H](CN2CCc3c(c(C(=O)N4CCOCC4)nn3CCCc3ccccc3)C2)N=C1 c1ccc(cc1)[*:1] CC1C=N[C@@H](CN2CCc3c(C2)c(nn3CCC[*:1])C(=O)N2CCOCC2)N=1
CC1=N[C@H](CN2CCc3c(c(C(=O)N4CCOCC4)nn3CCCc3ccccc3)C2)N=C1 c1ccc(cc1)CC[*:1] CC1C=N[C@@H](CN2CCc3c(C2)c(nn3C[*:1])C(=O)N2CCOCC2)N=1
CC1=N[C@H](CN2CCc3c(c(C(=O)N4CCOCC4)nn3CCCc3ccccc3)C2)N=C1 O=C(N1CCOCC1)[*:1] CC1C=N[C@@H](CN2CCc3c(C2)c(nn3CCCc2ccccc2)[*:1])N=1
CC1=N[C@H](CN2CCc3c(c(C(=O)N4CCOCC4)nn3CCCc3ccccc3)C2)N=C1 c1ccc(cc1)CCC[*:1] CC1C=N[C@@H](CN2CCc3c(C2)c(nn3[*:1])C(=O)N2CCOCC2)N=1
CNC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 CNC(=O)C[*:1] O=C(O[*:1])c1ccc(cc1)C(F)(F)F
CNC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 CNC(=O)[*:1] O=C(OC[*:1])c1ccc(cc1)C(F)(F)F
CNC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CNC(=O)COC(=O)c1ccc(cc1)[*:1]
c1ccc(-n2ncc(CNC[C@H](c3ccco3)N3CCCC3)n2)cc1 c1ccc(cc1)[*:1] c1coc(c1)[C@@H](CNCc1cnn(n1)[*:1])N1CCCC1
c1ccc(-n2ncc(CNC[C@H](c3ccco3)N3CCCC3)n2)cc1 c1coc(c1)[*:1] c1ccc(cc1)-n1ncc(CNC[C@H](N2CCCC2)[*:1])n1
c1ccc(-n2ncc(CNC[C@H](c3ccco3)N3CCCC3)n2)cc1 C1CCN(C1)[*:1] c1ccc(cc1)-n1ncc(CNC[C@H](c2ccco2)[*:1])n1
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc(OC)ccn2)C1 CC[C@H](C)[*:1] COc1ccnc(c1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
COC(=O)[C@H]1CCC[C@@H]1NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 COC(=O)[*:1] O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@H]1CCC[C@@H]1[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2cccc(Br)c2)C[C@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(/N=C(\[O-])N(Cc1cccc(Br)c1)C[C@H]1CCCO1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2cccc(Br)c2)C[C@H]2CCCO2)cc1 Brc1cccc(c1)C[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N(C[C@H]1CCCO1)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])N(Cc2cccc(Br)c2)C[C@H]2CCCO2)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)/N=C(\[O-])N(C[C@H]1CCCO1)C[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](CO)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N[C@@H](CO)Cc1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](CO)C[*:1]
Cc1ccc(NC(=O)NC[C@H]2CCOC2)cc1NC(=O)NC[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])NC(=O)NC[C@H]1CCOC1
Cc1ccc(NC(=O)NC[C@H]2CCOC2)cc1NC(=O)NC[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] Cc1ccc(cc1NC(=O)NC[C@H]1CCOC1)NC(=O)NC[*:1]
Cc1ccc(NC(=O)NC[C@H]2CCOC2)cc1NC(=O)NC[C@H]1CCOC1 C1C[C@@H](CO1)C[*:1] Cc1ccc(cc1NC(=O)NC[C@H]1CCOC1)NC(=O)N[*:1]
Cc1ccc(NC(=O)NC[C@H]2CCOC2)cc1NC(=O)NC[C@H]1CCOC1 C1C[C@@H](CO1)C[*:1] Cc1ccc(cc1NC(=O)N[*:1])NC(=O)NC[C@H]1CCOC1
O=C1C[C@H](c2noc(-c3cccc(F)c3)n2)CN1c1ccccc1 Fc1cccc(c1)[*:1] O=C1C[C@@H](CN1c1ccccc1)c1noc(n1)[*:1]
O=C1C[C@H](c2noc(-c3cccc(F)c3)n2)CN1c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](CN1[*:1])c1noc(n1)-c1cccc(F)c1
Cc1nc(CCNC(=O)N[C@H]2CCCn3c(C)nnc32)cs1 Cc1nc(cs1)C[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)NC[*:1]
Cc1nc(CCNC(=O)N[C@H]2CCCn3c(C)nnc32)cs1 Cc1nc(cs1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)NCC[*:1]
Cc1nonc1CN(C)C(=O)C[C@H](c1ccccc1)c1cccc(Cl)c1 Cc1nonc1C[*:1] CN(C(=O)C[C@H](c1ccccc1)c1cccc(Cl)c1)[*:1]
Cc1nonc1CN(C)C(=O)C[C@H](c1ccccc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nonc1CN(C)C(=O)C[C@H](c1ccccc1)[*:1]
Cc1nonc1CN(C)C(=O)C[C@H](c1ccccc1)c1cccc(Cl)c1 c1ccc(cc1)[*:1] Cc1nonc1CN(C)C(=O)C[C@H](c1cccc(Cl)c1)[*:1]
Cc1nonc1CN(C)C(=O)C[C@H](c1ccccc1)c1cccc(Cl)c1 Cc1nonc1[*:1] CN(C[*:1])C(=O)C[C@H](c1ccccc1)c1cccc(Cl)c1
O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H](C[*:1])c1ccc(F)cc1
O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H](c1ccc(F)cc1)[*:1]
O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H](CC(F)(F)F)[*:1]
C[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 NS(=O)(=O)[*:1] C[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1nc2ccc(cc2s1)[*:1]
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Cl)c2)NC(=O)N1 c1ccc(cc1)C[*:1] CC1NC(=O)N[C@H](C=1C(=O)OC[*:1])c1cccc(Cl)c1
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Cl)c2)NC(=O)N1 Clc1cccc(c1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)OCCc1ccccc1)[*:1]
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Cl)c2)NC(=O)N1 c1ccc(cc1)CC[*:1] CC1NC(=O)N[C@H](C=1C(=O)O[*:1])c1cccc(Cl)c1
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Cl)c2)NC(=O)N1 c1ccc(cc1)[*:1] CC1NC(=O)N[C@H](C=1C(=O)OCC[*:1])c1cccc(Cl)c1
Cc1csc([C@H]2CCCCN2C(=O)c2cc(C(C)C)[nH]n2)n1 CC(C)[*:1] Cc1csc(n1)[C@H]1CCCCN1C(=O)c1cc([nH]n1)[*:1]
Cc1csc([C@H]2CCCCN2C(=O)c2cc(C(C)C)[nH]n2)n1 Cc1csc(n1)[*:1] CC(C)c1cc(n[nH]1)C(=O)N1CCCC[C@@H]1[*:1]
CCc1nc(COC(=O)C[C@H](C)c2ccc(F)cc2)cs1 Fc1ccc(cc1)[*:1] CCc1nc(cs1)COC(=O)C[C@H](C)[*:1]
CCc1nc(COC(=O)C[C@H](C)c2ccc(F)cc2)cs1 CCc1nc(cs1)[*:1] C[C@@H](CC(=O)OC[*:1])c1ccc(F)cc1
O=C(Nc1cccnc1-n1cccn1)N1CCC([NH+]2CCCC2)CC1 c1cnn(c1)[*:1] O=C(Nc1cccnc1[*:1])N1CCC(CC1)[NH+]1CCCC1
CCCC(=O)N1CCC[C@H]1C(=O)N(C)C1CCN(c2ccc(F)cc2)CC1 CCC[*:1] CN(C(=O)[C@@H]1CCCN1C(=O)[*:1])C1CCN(CC1)c1ccc(F)cc1
CCCC(=O)N1CCC[C@H]1C(=O)N(C)C1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCCC(=O)N1CCC[C@H]1C(=O)N(C)C1CCN(CC1)[*:1]
COC(=O)C[C@H](C)NC(=O)c1ccc(-n2cc(C)cn2)cc1 Cc1cnn(c1)[*:1] COC(=O)C[C@H](C)NC(=O)c1ccc(cc1)[*:1]
COC(=O)C[C@H](C)NC(=O)c1ccc(-n2cc(C)cn2)cc1 COC(=O)C[C@H](C)[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)N[*:1]
COC(=O)C[C@H](C)NC(=O)c1ccc(-n2cc(C)cn2)cc1 COC(=O)[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)N[C@@H](C)C[*:1]
COC(=O)C[C@H](C)NC(=O)c1ccc(-n2cc(C)cn2)cc1 COC(=O)C[*:1] Cc1cnn(c1)-c1ccc(cc1)C(=O)N[C@@H](C)[*:1]
C[C@@H]1CCCC[C@H]1CNC(=O)NCCn1cccc1 c1ccn(c1)[*:1] C[C@@H]1CCCC[C@H]1CNC(=O)NCC[*:1]
C[C@@H]1CCCC[C@H]1CNC(=O)NCCn1cccc1 c1ccn(c1)C[*:1] C[C@@H]1CCCC[C@H]1CNC(=O)NC[*:1]
COCCNC(=O)c1cc(=O)nc2sc(N3CCC[C@@H](C)C3)nn12 COCCNC(=O)[*:1] C[C@@H]1CCCN(C1)c1nn2c(cc(=O)nc2s1)[*:1]
COCCNC(=O)c1cc(=O)nc2sc(N3CCC[C@@H](C)C3)nn12 C[C@@H]1CCCN(C1)[*:1] COCCNC(=O)c1cc(=O)nc2sc(nn12)[*:1]
COCCNC(=O)c1cc(=O)nc2sc(N3CCC[C@@H](C)C3)nn12 COCC[*:1] C[C@@H]1CCCN(C1)c1nn2c(cc(=O)nc2s1)C(=O)N[*:1]
COCCNC(=O)c1cc(=O)nc2sc(N3CCC[C@@H](C)C3)nn12 COC[*:1] C[C@@H]1CCCN(C1)c1nn2c(cc(=O)nc2s1)C(=O)NC[*:1]
CS(=O)(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 CS(=O)(=O)N[*:1] O=C([C@@H]1COc2ccccc2C1)N1CCC(CC1)[*:1]
Cc1ccsc1[C@@H](O)[C@]1(C[NH3+])CCc2ccccc21 Cc1ccsc1[*:1] [NH3+]C[C@]1(CCc2ccccc21)[C@H](O)[*:1]
CN(C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)C1(C#N)CCC1 c1ccc(cc1)[*:1] CN(C(=O)C1C[C@@H](N(N=1)c1ccccc1)[*:1])C1(C#N)CCC1
CN(C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)C1(C#N)CCC1 c1ccc(cc1)[*:1] CN(C(=O)C1C[C@@H](c2ccccc2)N(N=1)[*:1])C1(C#N)CCC1
Cc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)NC(=O)CSc1nc2ccccc2nc1[*:1]
Cc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2nc1N1CCOCC1)N[*:1]
O=C([O-])C1(Cc2cccc(Cl)c2)CCCC1 O=C([O-])[*:1] Clc1cccc(c1)CC1(CCCC1)[*:1]
O=C(NC1CCCC1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 C1CCC(C1)[*:1] O=C(N[*:1])c1nnn(n1)-c1ccc(cc1)C(F)(F)F
O=C(NC1CCCC1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] O=C(NC1CCCC1)c1nnn(n1)-c1ccc(cc1)[*:1]
O=c1c2cnn(-c3ccccc3)c2nnn1C[C@H](O)c1ccccc1F Fc1ccccc1[*:1] O=c1c2cnn(-c3ccccc3)c2nnn1C[C@H](O)[*:1]
O=c1c2cnn(-c3ccccc3)c2nnn1C[C@H](O)c1ccccc1F c1ccc(cc1)[*:1] O=c1c2cnn(c2nnn1C[C@H](O)c1ccccc1F)[*:1]
COCCn1cc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)ccc1=O Cc1cnn(c1)[*:1] COCCn1cc(ccc1=O)C(=O)N1CCC[C@@H]1C[*:1]
COCCn1cc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)ccc1=O COC[*:1] Cc1cnn(c1)C[C@H]1CCCN1C(=O)c1ccc(=O)n(c1)C[*:1]
COCCn1cc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)ccc1=O Cc1cnn(c1)C[*:1] COCCn1cc(ccc1=O)C(=O)N1CCC[C@H]1[*:1]
COCCn1cc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)ccc1=O COCC[*:1] Cc1cnn(c1)C[C@H]1CCCN1C(=O)c1ccc(=O)n(c1)[*:1]
Fc1ccccc1[C@H]1c2cccn2CCN1C(=S)Nc1cccc(C(F)(F)F)c1 Fc1ccccc1[*:1] FC(F)(F)c1cccc(c1)NC(=S)N1CCn2cccc2[C@@H]1[*:1]
Fc1ccccc1[C@H]1c2cccn2CCN1C(=S)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Fc1ccccc1[C@H]1c2cccn2CCN1C(=S)Nc1cccc(c1)[*:1]
Cc1c([C@H](C)NS(=O)(=O)N2CCOCC2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@H](C)NS(=O)(=O)N1CCOCC1
O=C(NCCOc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(NCCOc1ccc2CCCc2c1)N1CCC[C@H]1[*:1]
CCc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)c(C)s2)cs1 CCc1nc(cs1)[*:1] Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(sc1C)[*:1]
CCc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)c(C)s2)cs1 Cc1cc(Cl)ccc1[*:1] CCc1nc(cs1)-c1cc(c(C)s1)S(=O)(=O)N[*:1]
CCCC[NH+]1CCN(C[C@H](C)O)CC1 CCC[*:1] C[C@H](O)CN1CC[NH+](CC1)C[*:1]
CCCC[NH+]1CCN(C[C@H](C)O)CC1 CCCC[*:1] C[C@H](O)CN1CC[NH+](CC1)[*:1]
CCCC[NH+]1CCN(C[C@H](C)O)CC1 C[C@H](O)[*:1] CCCC[NH+]1CCN(CC1)C[*:1]
CCCC[NH+]1CCN(C[C@H](C)O)CC1 C[C@H](O)C[*:1] CCCC[NH+]1CCN(CC1)[*:1]
Cc1ccc(-c2nnc([C@@H](C)Nc3ccccc3OCC3CC3)o2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Nc1ccccc1OCC1CC1)c1nnc(o1)[*:1]
Cc1ccc(-c2nnc([C@@H](C)Nc3ccccc3OCC3CC3)o2)cc1 C1CC1[*:1] Cc1ccc(cc1)-c1nnc(o1)[C@@H](C)Nc1ccccc1OC[*:1]
Cc1ccc(-c2nnc([C@@H](C)Nc3ccccc3OCC3CC3)o2)cc1 C1CC1CO[*:1] Cc1ccc(cc1)-c1nnc(o1)[C@@H](C)Nc1ccccc1[*:1]
Cc1ccc(-c2nnc([C@@H](C)Nc3ccccc3OCC3CC3)o2)cc1 C1CC1C[*:1] Cc1ccc(cc1)-c1nnc(o1)[C@@H](C)Nc1ccccc1O[*:1]
O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)c1ccncc1 C1CCC(C1)CC[*:1] O=C(C[*:1])N(C[C@H]1CCCO1)c1ccncc1
O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)c1ccncc1 C1CO[C@H](C1)C[*:1] O=C(CCCC1CCCC1)N(c1ccncc1)[*:1]
O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)c1ccncc1 C1CCC(C1)C[*:1] O=C(CC[*:1])N(C[C@H]1CCCO1)c1ccncc1
O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)c1ccncc1 c1cc(ccn1)[*:1] O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)[*:1]
O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)c1ccncc1 C1CCC(C1)[*:1] O=C(CCC[*:1])N(C[C@H]1CCCO1)c1ccncc1
O=C(CCCC1CCCC1)N(C[C@H]1CCCO1)c1ccncc1 C1CO[C@H](C1)[*:1] O=C(CCCC1CCCC1)N(C[*:1])c1ccncc1
C[C@@H](C(=O)NCC(F)(F)F)S(=O)(=O)Cc1ccc(C(N)=O)cc1 FC(F)(F)[*:1] C[C@@H](C(=O)NC[*:1])S(=O)(=O)Cc1ccc(cc1)C(N)=O
C[C@@H](C(=O)NCC(F)(F)F)S(=O)(=O)Cc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@@H](C(=O)NCC(F)(F)F)S(=O)(=O)Cc1ccc(cc1)[*:1]
C[C@@H](C(=O)NCC(F)(F)F)S(=O)(=O)Cc1ccc(C(N)=O)cc1 FC(F)(F)C[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1ccc(cc1)C(N)=O
CCc1cc(CNC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)on1 C[S@@](=O)[*:1] CCc1cc(CNC(=O)N(C)[C@H](C)c2ccc(cc2)[*:1])on1
CCc1cc(CNC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)on1 CCc1cc(C[*:1])on1 C[C@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)N[*:1]
CCc1cc(CNC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)on1 CCc1cc(on1)[*:1] C[C@H](c1ccc(cc1)[S@@](C)=O)N(C)C(=O)NC[*:1]
O=[N+]([O-])c1ccc(OCc2ccccc2)cc1Cl O=[N+]([O-])[*:1] Clc1cc(ccc1[*:1])OCc1ccccc1
O=[N+]([O-])c1ccc(OCc2ccccc2)cc1Cl c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1Cl)OC[*:1]
CC(=O)Nc1cccc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@]23CCCCC(=O)N3)c1 CC(=O)N[*:1] O=C1CCCC[C@]2(CN(C[C@H]2c2cccc(c2)[*:1])C(=O)Cc2ccc(F)cc2)N1
CC(=O)Nc1cccc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@]23CCCCC(=O)N3)c1 Fc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)[C@@H]1CN(C[C@]12CCCCC(=O)N2)C(=O)C[*:1]
CC(=O)Nc1cccc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@]23CCCCC(=O)N3)c1 Fc1ccc(cc1)C[*:1] CC(=O)Nc1cccc(c1)[C@@H]1CN(C[C@]12CCCCC(=O)N2)C(=O)[*:1]
CC(=O)Nc1cccc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@]23CCCCC(=O)N3)c1 CC(=O)Nc1cccc(c1)[*:1] O=C1CCCC[C@]2(CN(C[C@H]2[*:1])C(=O)Cc2ccc(F)cc2)N1
O=C(CCC(=O)c1cccs1)Oc1ccc2c(c1)CCC2 O=C(c1cccs1)[*:1] O=C(CC[*:1])Oc1ccc2CCCc2c1
O=C(CCC(=O)c1cccs1)Oc1ccc2c(c1)CCC2 c1csc(c1)[*:1] O=C(CCC(=O)[*:1])Oc1ccc2CCCc2c1
CC(C)Sc1nc(N2CCCC2)c2cnn(CCNC(=O)c3ccc(F)cc3)c2n1 CC(C)S[*:1] O=C(NCCn1ncc2c(nc(nc21)[*:1])N1CCCC1)c1ccc(F)cc1
CC(C)Sc1nc(N2CCCC2)c2cnn(CCNC(=O)c3ccc(F)cc3)c2n1 CC(C)[*:1] O=C(NCCn1ncc2c(nc(nc21)S[*:1])N1CCCC1)c1ccc(F)cc1
CC(C)Sc1nc(N2CCCC2)c2cnn(CCNC(=O)c3ccc(F)cc3)c2n1 O=C(N[*:1])c1ccc(F)cc1 CC(C)Sc1nc(c2cnn(CC[*:1])c2n1)N1CCCC1
CC(C)Sc1nc(N2CCCC2)c2cnn(CCNC(=O)c3ccc(F)cc3)c2n1 C1CCN(C1)[*:1] CC(C)Sc1nc(c2cnn(CCNC(=O)c3ccc(F)cc3)c2n1)[*:1]
CC(C)Sc1nc(N2CCCC2)c2cnn(CCNC(=O)c3ccc(F)cc3)c2n1 Fc1ccc(cc1)[*:1] CC(C)Sc1nc(c2cnn(CCNC(=O)[*:1])c2n1)N1CCCC1
CC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)cc1 CC(C)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1cccc(n1)C(=O)O[*:1]
CC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)cc1 CC(C)OC(=O)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1cccc(n1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)cc1 CC(=O)N[*:1] CC(C)OC(=O)c1cccc(n1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)nc(n1)S[C@@H](C)C(=O)N[*:1]
Cc1cc(C(F)(F)F)nn1CCC(=O)[O-] O=C([O-])[*:1] Cc1cc(nn1CC[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)nn1CCC(=O)[O-] O=C([O-])CC[*:1] Cc1cc(nn1[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)nn1CCC(=O)[O-] FC(F)(F)[*:1] Cc1cc(nn1CCC(=O)[O-])[*:1]
Cc1cc(C(F)(F)F)nn1CCC(=O)[O-] O=C([O-])C[*:1] Cc1cc(nn1C[*:1])C(F)(F)F
Cc1cnc(C(C)(C)NC(=O)c2ccnc(OCc3ccccc3)c2)s1 c1ccc(cc1)C[*:1] Cc1cnc(s1)C(C)(C)NC(=O)c1ccnc(c1)O[*:1]
Cc1cnc(C(C)(C)NC(=O)c2ccnc(OCc3ccccc3)c2)s1 c1ccc(cc1)CO[*:1] Cc1cnc(s1)C(C)(C)NC(=O)c1ccnc(c1)[*:1]
Cc1cnc(C(C)(C)NC(=O)c2ccnc(OCc3ccccc3)c2)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)c1ccnc(c1)OC[*:1]
Cc1cc(C(=O)[O-])cc(C)c1OC[C@H]1CN(C)CCO1 O=C([O-])[*:1] Cc1cc(cc(C)c1OC[C@H]1CN(C)CCO1)[*:1]
CCOCc1ccc(NC(=O)c2ccc3nncn3c2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccc2nncn2c1
CCOCc1ccc(NC(=O)c2ccc3nncn3c2)cc1 CCOC[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2nncn2c1
COC(=O)c1ccc(/C=N/NC(=O)C2=NN=C(C3=C(C)NN(c4ccccc4)[C@@H]3C)C2)cc1 COC(=O)c1ccc(cc1)[*:1] CC1NN(c2ccccc2)[C@H](C)C=1C1CC(=NN=1)C(=O)NN=C[*:1]
COC(=O)c1ccc(/C=N/NC(=O)C2=NN=C(C3=C(C)NN(c4ccccc4)[C@@H]3C)C2)cc1 COC(=O)[*:1] CC1NN(c2ccccc2)[C@H](C)C=1C1CC(=NN=1)C(=O)N/N=C/c1ccc(cc1)[*:1]
COC(=O)c1ccc(/C=N/NC(=O)C2=NN=C(C3=C(C)NN(c4ccccc4)[C@@H]3C)C2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(/C=N/NC(=O)C2CC(=NN=2)C2=C(C)NN([C@@H]2C)[*:1])cc1
C[C@H](NC(=O)c1ccncc1C#CCCO)c1cccs1 OCCC#C[*:1] C[C@H](NC(=O)c1ccncc1[*:1])c1cccs1
C[C@H](NC(=O)c1ccncc1C#CCCO)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)c1ccncc1C#CCCO)[*:1]
C[C@H](NC(=O)c1ccncc1C#CCCO)c1cccs1 OCC[*:1] C[C@H](NC(=O)c1ccncc1C#C[*:1])c1cccs1
C[C@H](NC(=O)c1ccncc1C#CCCO)c1cccs1 C[C@H](c1cccs1)[*:1] O=C(N[*:1])c1ccncc1C#CCCO
CCONC(=O)c1cnc(Oc2ccccc2)cn1 c1ccc(cc1)[*:1] CCONC(=O)c1cnc(cn1)O[*:1]
CCONC(=O)c1cnc(Oc2ccccc2)cn1 CCONC(=O)[*:1] c1ccc(cc1)Oc1cnc(cn1)[*:1]
CC(C)c1csc(NC(=O)c2cnccn2)n1 CC(C)[*:1] O=C(Nc1nc(cs1)[*:1])c1cnccn1
Cn1cc[nH+]c1Cn1nnc2c(cnn2-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1cc[nH+]c1Cn1nnc2c(cnn2[*:1])c1=O
COC(=O)c1ccccc1CS/C(=N/C#N)SC COC(=O)[*:1] CS/C(=N\C#N)SCc1ccccc1[*:1]
O=C(c1ccc(O)c(Cl)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 Oc1ccc(cc1Cl)[*:1] O=C(N1CCC(CC1)NS(=O)(=O)c1ccccc1)[*:1]
O=C(c1ccc(O)c(Cl)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(O)c(Cl)c1)N1CCC(CC1)NS(=O)(=O)[*:1]
COc1ccc(C(=O)Nc2cccc(Br)c2)cc1S(=O)(=O)N1CCCCCC1 Brc1cccc(c1)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)N[*:1]
Cc1ccc(-c2nc(C(=O)NCCc3n[nH]c(=O)[nH]3)cs2)c(C)c1 O=c1[nH]nc(CC[*:1])[nH]1 Cc1ccc(-c2nc(cs2)C(=O)N[*:1])c(C)c1
Cc1ccc(-c2nc(C(=O)NCCc3n[nH]c(=O)[nH]3)cs2)c(C)c1 O=c1[nH]nc([nH]1)[*:1] Cc1ccc(-c2nc(cs2)C(=O)NCC[*:1])c(C)c1
Cc1ccc(-c2nc(C(=O)NCCc3n[nH]c(=O)[nH]3)cs2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NCCc1n[nH]c(=O)[nH]1)c1csc(n1)[*:1]
Cc1ccc(-c2nc(C(=O)NCCc3n[nH]c(=O)[nH]3)cs2)c(C)c1 O=c1[nH]nc(C[*:1])[nH]1 Cc1ccc(-c2nc(cs2)C(=O)NC[*:1])c(C)c1
Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C c1cc(cs1)[*:1] Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H]([NH+](C)C)[*:1]
C/C=C/CCNC(=O)Nc1cncc2ccccc12 CC=C[*:1] O=C(NCC[*:1])Nc1cncc2ccccc12
C/C=C/CCNC(=O)Nc1cncc2ccccc12 C/C=C/C[*:1] O=C(NC[*:1])Nc1cncc2ccccc12
C/C=C/CCNC(=O)Nc1cncc2ccccc12 C/C=C/CC[*:1] O=C(Nc1cncc2ccccc12)N[*:1]
Cc1ccc(C)c(OCc2nc(CC(=O)Nc3ccccc3)cs2)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cc1csc(CO[*:1])n1)Nc1ccccc1
Cc1ccc(C)c(OCc2nc(CC(=O)Nc3ccccc3)cs2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)OCc1nc(cs1)CC(=O)N[*:1]
COc1cc(C(=O)N[C@H](C)c2ccncc2)nc2c(C)cc(F)cc12 c1cc(ccn1)[*:1] COc1cc(nc2c(C)cc(F)cc12)C(=O)N[C@H](C)[*:1]
COc1cc(C(=O)N[C@H](C)c2ccncc2)nc2c(C)cc(F)cc12 C[C@H](c1ccncc1)[*:1] COc1cc(nc2c(C)cc(F)cc12)C(=O)N[*:1]
Cc1c(NS(=O)(=O)c2ccc3c(c2)COC3)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])NS(=O)(=O)c1ccc2COCc2c1
CCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCCOC(=O)[C@@H](C)NS(=O)(=O)[*:1]
CCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 CCC[*:1] C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[*:1]
CCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 CCCOC(=O)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1)[*:1]
Cc1ccccc1NC(=O)C(=O)NCCSCc1ccccc1F Fc1ccccc1[*:1] Cc1ccccc1NC(=O)C(=O)NCCSC[*:1]
Cc1ccccc1NC(=O)C(=O)NCCSCc1ccccc1F Cc1ccccc1[*:1] O=C(NCCSCc1ccccc1F)C(=O)N[*:1]
Cc1ccccc1NC(=O)C(=O)NCCSCc1ccccc1F Fc1ccccc1C[*:1] Cc1ccccc1NC(=O)C(=O)NCCS[*:1]
COC(=O)[C@]1(NC(=O)c2cccc(Cl)c2Cl)CCOC1 COC(=O)[*:1] O=C(N[C@@]1(CCOC1)[*:1])c1cccc(Cl)c1Cl
CC(C)[NH2+]C[C@@H](C)[C@H](C)N(C)[C@@H](C)c1ccccc1F CC(C)[*:1] C[C@@H](c1ccccc1F)N(C)[C@@H](C)[C@H](C)C[NH2+][*:1]
CC(=O)CCC(=O)c1cc(C)nc2ccccc12 CC(=O)[*:1] Cc1cc(C(=O)CC[*:1])c2ccccc2n1
CC(=O)CCC(=O)c1cc(C)nc2ccccc12 CC(=O)CC[*:1] Cc1cc(C(=O)[*:1])c2ccccc2n1
CC(=O)CCC(=O)c1cc(C)nc2ccccc12 CC(=O)C[*:1] Cc1cc(C(=O)C[*:1])c2ccccc2n1
CN(C[C@H]1CCCO1)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] CN(C[C@H]1CCCO1)C(=O)NC1CCN(CC1)c1ccc(cc1)[*:1]
CCCC(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 CCC[*:1] O=C(N1CCC(CC1)c1cc(C(F)F)n2ncnc2n1)[*:1]
CCCC(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 FC(F)[*:1] CCCC(=O)N1CCC(CC1)c1cc(n2ncnc2n1)[*:1]
CCOc1cc(/C=C/c2nccc(-c3cnn(C)c3)n2)cc(Cl)c1OC Cn1cc(cn1)[*:1] CCOc1cc(/C=C/c2nccc(n2)[*:1])cc(Cl)c1OC
CCOc1cc(/C=C/c2nccc(-c3cnn(C)c3)n2)cc(Cl)c1OC CCO[*:1] COc1c(Cl)cc(/C=C/c2nccc(n2)-c2cnn(C)c2)cc1[*:1]
N#Cc1ccc(/C=C/C[NH2+]CCN2CCN(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] N#Cc1ccc(/C=C/C[NH2+]CCN2CCN(CC2)[*:1])cc1
N#Cc1ccc(/C=C/C[NH2+]CCN2CCN(c3ccc(F)cc3)CC2)cc1 N#Cc1ccc(cc1)[*:1] Fc1ccc(cc1)N1CCN(CC[NH2+]CC=C[*:1])CC1
CCO[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2C)C1(CC)CC CCO[*:1] CCC1(CC)[C@@H](C[C@H]1[*:1])N(C)C(=O)c1cn(C)nc1C
CCO[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2C)C1(CC)CC Cc1nn(C)cc1[*:1] CCO[C@@H]1C[C@@H](N(C)C(=O)[*:1])C1(CC)CC
CCCS(=O)(=O)N1CCC[C@H](c2nc(CNC(C)=O)cs2)C1 CC(=O)NC[*:1] CCCS(=O)(=O)N1CCC[C@@H](C1)c1nc(cs1)[*:1]
CCCS(=O)(=O)N1CCC[C@H](c2nc(CNC(C)=O)cs2)C1 CC(=O)N[*:1] CCCS(=O)(=O)N1CCC[C@@H](C1)c1nc(cs1)C[*:1]
CCCS(=O)(=O)N1CCC[C@H](c2nc(CNC(C)=O)cs2)C1 CCC[*:1] CC(=O)NCc1csc(n1)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(NC1CCCCC1)N1CC[C@@]2(O)CCN(c3cccc[nH+]3)C[C@H]2C1 C1CCC(CC1)[*:1] O=C(N[*:1])N1CC[C@@]2(O)CCN(C[C@H]2C1)c1cccc[nH+]1
CCCCCC(=O)Nc1ccc(F)c(F)c1F CCCC[*:1] O=C(C[*:1])Nc1ccc(F)c(F)c1F
CCCCCC(=O)Nc1ccc(F)c(F)c1F CCCCC[*:1] O=C(Nc1ccc(F)c(F)c1F)[*:1]
CCCCCC(=O)Nc1ccc(F)c(F)c1F CCC[*:1] O=C(CC[*:1])Nc1ccc(F)c(F)c1F
CC(=O)N1CCC(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC1 Fc1cccc(c1)[*:1] CC(=O)N1CCC(CC1)NC(=O)N1CCO[C@H](C1)[*:1]
O=C(Nc1ccc(Cl)cc1)N(Cc1cccc(F)c1)c1nnc2n1CCCCC2 Fc1cccc(c1)[*:1] O=C(Nc1ccc(Cl)cc1)N(C[*:1])c1nnc2CCCCCn21
O=C(Nc1ccc(Cl)cc1)N(Cc1cccc(F)c1)c1nnc2n1CCCCC2 Clc1ccc(cc1)[*:1] O=C(N[*:1])N(Cc1cccc(F)c1)c1nnc2CCCCCn21
O=C(Nc1ccc(Cl)cc1)N(Cc1cccc(F)c1)c1nnc2n1CCCCC2 Fc1cccc(c1)C[*:1] O=C(Nc1ccc(Cl)cc1)N(c1nnc2CCCCCn21)[*:1]
Cc1csc([C@H](NC(=O)NCc2ccccc2C)C2CC2)n1 Cc1csc(n1)[*:1] Cc1ccccc1CNC(=O)N[C@H](C1CC1)[*:1]
Cc1csc([C@H](NC(=O)NCc2ccccc2C)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](NC(=O)NCc1ccccc1C)[*:1]
Cc1csc([C@H](NC(=O)NCc2ccccc2C)C2CC2)n1 Cc1ccccc1[*:1] Cc1csc(n1)[C@H](NC(=O)NC[*:1])C1CC1
Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C O=C([O-])[*:1] Cc1ccc(cc1C)C(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1cccc(NC(=O)CN2CCC[NH+](Cc3ccccc3)CC2)c1C c1ccc(cc1)C[*:1] Cc1cccc(NC(=O)CN2CCC[NH+](CC2)[*:1])c1C
Cc1cccc(NC(=O)CN2CCC[NH+](Cc3ccccc3)CC2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)CN2CCC[NH+](CC2)C[*:1])c1C
Cc1cccc(NC(=O)CN2CCC[NH+](Cc3ccccc3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(CN1CCC[NH+](CC1)Cc1ccccc1)N[*:1]
CC(C)[C@H](NC(=O)NC[C@@H]1CCC[C@H](O)C1)c1nnc2ccccn12 O[C@H]1CCC[C@H](C1)C[*:1] CC(C)[C@H](NC(=O)N[*:1])c1nnc2ccccn12
CC(C)[C@H](NC(=O)NC[C@@H]1CCC[C@H](O)C1)c1nnc2ccccn12 O[C@H]1CCC[C@H](C1)[*:1] CC(C)[C@H](NC(=O)NC[*:1])c1nnc2ccccn12
CC(C)[C@H](NC(=O)NC[C@@H]1CCC[C@H](O)C1)c1nnc2ccccn12 CC(C)[*:1] O=C(NC[C@@H]1CCC[C@H](O)C1)N[C@H](c1nnc2ccccn12)[*:1]
Cc1nc(COc2ccc([C@@H]3NC(=O)c4cc(Cl)ccc4N3)cc2)no1 Cc1nc(CO[*:1])no1 O=C1N[C@H](Nc2ccc(Cl)cc21)c1ccc(cc1)[*:1]
Cc1nc(COc2ccc([C@@H]3NC(=O)c4cc(Cl)ccc4N3)cc2)no1 Cc1nc(no1)[*:1] O=C1N[C@H](Nc2ccc(Cl)cc21)c1ccc(cc1)OC[*:1]
Cc1nc(COc2ccc([C@@H]3NC(=O)c4cc(Cl)ccc4N3)cc2)no1 Cc1nc(C[*:1])no1 O=C1N[C@H](Nc2ccc(Cl)cc21)c1ccc(cc1)O[*:1]
Cc1nc(C2CCCC2)sc1C(=O)NCCC[NH+]1CCC(O)CC1 C1CCC(C1)[*:1] Cc1nc(sc1C(=O)NCCC[NH+]1CCC(O)CC1)[*:1]
N#C[C@@H]1CN(C(=O)c2ncoc2-c2ccco2)CCN1Cc1ccccc1 c1coc(c1)[*:1] N#C[C@@H]1CN(CCN1Cc1ccccc1)C(=O)c1ncoc1[*:1]
N#C[C@@H]1CN(C(=O)c2ncoc2-c2ccco2)CCN1Cc1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1CN(CCN1C[*:1])C(=O)c1ncoc1-c1ccco1
N#C[C@@H]1CN(C(=O)c2ncoc2-c2ccco2)CCN1Cc1ccccc1 c1ccc(cc1)C[*:1] N#C[C@@H]1CN(CCN1[*:1])C(=O)c1ncoc1-c1ccco1
CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)NCC)cc2)CC1=O CCC[*:1] CCNC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)C[*:1]
CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)NCC)cc2)CC1=O CCNC(=O)[*:1] CCCCN1C[C@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)NCC)cc2)CC1=O CCCC[*:1] CCNC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
NS(=O)(=O)c1ccc(N/N=C(\c2ccccc2)c2ccncc2)cc1 NS(=O)(=O)[*:1] c1ccc(cc1)/C(=N\Nc1ccc(cc1)[*:1])c1ccncc1
NS(=O)(=O)c1ccc(N/N=C(\c2ccccc2)c2ccncc2)cc1 c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1)N/N=C(/c1ccncc1)[*:1]
NS(=O)(=O)c1ccc(N/N=C(\c2ccccc2)c2ccncc2)cc1 c1cc(ccn1)[*:1] NS(=O)(=O)c1ccc(cc1)NN=C(c1ccccc1)[*:1]
C[C@@H](NC(=O)N1CCC[C@H]1Cc1cccc(F)c1)c1nc2ccccc2[nH]1 Fc1cccc(c1)[*:1] C[C@@H](NC(=O)N1CCC[C@H]1C[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)N1CCC[C@H]1Cc1cccc(F)c1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] C[C@@H](NC(=O)N1CCC[C@H]1Cc1cccc(F)c1)[*:1]
C[C@@H](NC(=O)N1CCC[C@H]1Cc1cccc(F)c1)c1nc2ccccc2[nH]1 Fc1cccc(c1)C[*:1] C[C@@H](NC(=O)N1CCC[C@@H]1[*:1])c1nc2ccccc2[nH]1
COc1cccc(CNc2cc(-c3ccccc3)nc3ncnn23)c1OC c1ccc(cc1)[*:1] COc1cccc(CNc2cc(nc3ncnn23)[*:1])c1OC
O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(CSc1nnc(o1)-c1ccccc1F)N[*:1]
O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccc(I)cc1 Fc1ccccc1[*:1] O=C(CSc1nnc(o1)[*:1])Nc1ccc(I)cc1
CC(C)c1nc(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)n(C)n1 Fc1ccccc1[*:1] CC(C)c1nc(NC(=O)N[C@H]2CCN(C2=O)[*:1])n(C)n1
CC(C)c1nc(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)N[C@H]1CCN(C1=O)c1ccccc1F)[*:1]
C=CCON=C1CCCCC1 C=CC[*:1] C1CCC(CC1)=NO[*:1]
COC(=O)c1ncn2c1C(=O)N(c1ccc(C)c(F)c1)[C@](C)(C(=O)NCc1ccccc1OC)C2 Cc1ccc(cc1F)[*:1] COC(=O)c1ncn2C[C@@](C)(C(=O)NCc3ccccc3OC)N(C(=O)c12)[*:1]
COC(=O)c1ncn2c1C(=O)N(c1ccc(C)c(F)c1)[C@](C)(C(=O)NCc1ccccc1OC)C2 COc1ccccc1C[*:1] COC(=O)c1ncn2C[C@@](C)(C(=O)N[*:1])N(C(=O)c12)c1ccc(C)c(F)c1
COC(=O)c1ncn2c1C(=O)N(c1ccc(C)c(F)c1)[C@](C)(C(=O)NCc1ccccc1OC)C2 COc1ccccc1[*:1] COC(=O)c1ncn2C[C@@](C)(C(=O)NC[*:1])N(C(=O)c12)c1ccc(C)c(F)c1
COC(=O)c1ncn2c1C(=O)N(c1ccc(C)c(F)c1)[C@](C)(C(=O)NCc1ccccc1OC)C2 COC(=O)[*:1] COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(c2C(=O)N1c1ccc(C)c(F)c1)[*:1]
C[C@@H](COc1ccccc1CO)C(N)=O NC(=O)[*:1] C[C@@H](COc1ccccc1CO)[*:1]
C[C@@H](COc1ccccc1CO)C(N)=O C[C@@H](C(N)=O)[*:1] OCc1ccccc1OC[*:1]
COc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1 O=S(=O)(N1CCOCC1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)NC(=O)c1ccc(cc1)[*:1]
COc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H]1CC(=O)N(C1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCOCC1
[NH3+]CCc1cc(F)c(OCc2noc(C3CC3)n2)c(F)c1 C1CC1[*:1] [NH3+]CCc1cc(F)c(OCc2noc(n2)[*:1])c(F)c1
[NH3+]CCc1cc(F)c(OCc2noc(C3CC3)n2)c(F)c1 [NH3+]CC[*:1] Fc1cc(cc(F)c1OCc1noc(n1)C1CC1)[*:1]
O=C(CSc1nnc2n1CCCCC2)c1ccccc1OC(F)F FC(F)O[*:1] O=C(CSc1nnc2CCCCCn21)c1ccccc1[*:1]
O=C(CSc1nnc2n1CCCCC2)c1ccccc1OC(F)F FC(F)[*:1] O=C(CSc1nnc2CCCCCn21)c1ccccc1O[*:1]
Cc1ccc(CCNC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCC[*:1]
Cc1ccc(CCNC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NC[*:1]
CCc1nc2sc([C@@H](c3cccc(OC)c3)[NH+]3CCN(CCO)CC3)c([O-])n2n1 OCC[*:1] CCc1nc2sc(c([O-])n2n1)[C@@H](c1cccc(c1)OC)[NH+]1CCN(CC1)[*:1]
CCc1nc2sc([C@@H](c3cccc(OC)c3)[NH+]3CCN(CCO)CC3)c([O-])n2n1 COc1cccc(c1)[*:1] CCc1nc2sc(c([O-])n2n1)[C@@H]([NH+]1CCN(CCO)CC1)[*:1]
C[C@H](c1nc2ccccc2s1)N1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 c1ccc2sc(nc2c1)[*:1] C[C@H](N1CC[NH+](CC1)CC(=O)N(CCC#N)c1ccccc1)[*:1]
C[C@H](c1nc2ccccc2s1)N1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 N#CC[*:1] C[C@H](c1nc2ccccc2s1)N1CC[NH+](CC1)CC(=O)N(C[*:1])c1ccccc1
C[C@H](c1nc2ccccc2s1)N1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 N#CCC[*:1] C[C@H](c1nc2ccccc2s1)N1CC[NH+](CC1)CC(=O)N(c1ccccc1)[*:1]
C[C@H](c1nc2ccccc2s1)N1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](c1nc2ccccc2s1)N1CC[NH+](CC1)CC(=O)N(CCC#N)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)c1OC Cc1cc(c(C)o1)[*:1] COc1cccc(C(=O)N2CCN(CC2)C(=O)[*:1])c1OC
O=C(c1cc(OCc2ccccc2)ccc1O)N1CCOC[C@H]1C1CC1 c1ccc(cc1)C[*:1] O=C(c1cc(ccc1O)O[*:1])N1CCOC[C@H]1C1CC1
O=C(c1cc(OCc2ccccc2)ccc1O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(c1cc(ccc1O)OCc1ccccc1)N1CCOC[C@@H]1[*:1]
O=C(c1cc(OCc2ccccc2)ccc1O)N1CCOC[C@H]1C1CC1 c1ccc(cc1)CO[*:1] O=C(c1cc(ccc1O)[*:1])N1CCOC[C@H]1C1CC1
O=C(c1cc(OCc2ccccc2)ccc1O)N1CCOC[C@H]1C1CC1 c1ccc(cc1)[*:1] O=C(c1cc(ccc1O)OC[*:1])N1CCOC[C@H]1C1CC1
CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCN(c3cc(C)ccc3C)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)c1ncccc1S(=O)(=O)N[*:1]
CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCN(c3cc(C)ccc3C)CC2)cc1 Cc1ccc(C)c(c1)[*:1] CCOc1ccc(cc1)NS(=O)(=O)c1cccnc1N1CCN(CC1)[*:1]
CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCN(c3cc(C)ccc3C)CC2)cc1 CCO[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)c1ncccc1S(=O)(=O)Nc1ccc(cc1)[*:1]
COc1ccccc1NC(=O)[C@H]1[C@H](C)Nc2ncnn2[C@@H]1c1ccc(C)cc1 COc1ccccc1[*:1] Cc1ccc(cc1)[C@@H]1[C@@H](C(=O)N[*:1])[C@H](C)Nc2ncnn21
COc1ccccc1NC(=O)[C@H]1[C@H](C)Nc2ncnn2[C@@H]1c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@H]1[C@H](C)Nc2ncnn2[C@H]1[*:1]
CCOc1ccc(NC(=O)N2CCC(C)CC2)cc1CO CCO[*:1] CC1CCN(CC1)C(=O)Nc1ccc(c(c1)CO)[*:1]
COc1ccc(CN(C)C(=O)c2cn(Cc3cccnc3)nn2)cc1C c1cncc(c1)[*:1] COc1ccc(cc1C)CN(C)C(=O)c1cn(C[*:1])nn1
COc1ccc(CN(C)C(=O)c2cn(Cc3cccnc3)nn2)cc1C c1cncc(c1)C[*:1] COc1ccc(cc1C)CN(C)C(=O)c1cn(nn1)[*:1]
Cc1cc(NC(=O)CCc2ccc3c(c2)OCO3)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(CCc1ccc2OCOc2c1)N[*:1]
Cc1cc(CCCC(=O)N(C)[C@@H](C)c2sc(C)nc2C)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1nc(C)c(s1)[C@H](C)N(C)C(=O)CCC[*:1]
Cc1cc(CCCC(=O)N(C)[C@@H](C)c2sc(C)nc2C)c(C)s1 Cc1nc(C)c(s1)[*:1] Cc1cc(CCCC(=O)N(C)[C@@H](C)[*:1])c(C)s1
O=C(NCc1ccco1)[C@@H]1Cc2ccccc2N2CCN(C(=O)c3ccco3)C[C@H]12 c1coc(c1)[*:1] O=C(NC[*:1])[C@@H]1Cc2ccccc2N2CCN(C[C@H]12)C(=O)c1ccco1
O=C(NCc1ccco1)[C@@H]1Cc2ccccc2N2CCN(C(=O)c3ccco3)C[C@H]12 c1coc(c1)C[*:1] O=C(N[*:1])[C@@H]1Cc2ccccc2N2CCN(C[C@H]12)C(=O)c1ccco1
O=C(NCc1ccco1)[C@@H]1Cc2ccccc2N2CCN(C(=O)c3ccco3)C[C@H]12 c1coc(c1)[*:1] O=C(NCc1ccco1)[C@@H]1Cc2ccccc2N2CCN(C[C@H]12)C(=O)[*:1]
O=C(NCc1ccco1)[C@@H]1Cc2ccccc2N2CCN(C(=O)c3ccco3)C[C@H]12 O=C(NCc1ccco1)[*:1] O=C(c1ccco1)N1CCN2c3ccccc3C[C@H]([C@H]2C1)[*:1]
O[C@@H](c1ccn(C[C@H]2CCCc3ccccc32)c1)C1CC1 C1CC1[*:1] O[C@@H](c1ccn(c1)C[C@H]1CCCc2ccccc21)[*:1]
O[C@@H](c1ccn(C[C@H]2CCCc3ccccc32)c1)C1CC1 O[C@@H](C1CC1)[*:1] c1ccc2c(c1)CCC[C@@H]2Cn1ccc(c1)[*:1]
Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=S)Nc2cccc(Cl)c2)o1 Cc1ccc(o1)[*:1] S=C(Nc1cccc(Cl)c1)N(Cc1ccc2OCOc2c1)C[*:1]
Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=S)Nc2cccc(Cl)c2)o1 Cc1ccc(C[*:1])o1 S=C(Nc1cccc(Cl)c1)N(Cc1ccc2OCOc2c1)[*:1]
Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=S)Nc2cccc(Cl)c2)o1 Clc1cccc(c1)[*:1] Cc1ccc(CN(Cc2ccc3OCOc3c2)C(=S)N[*:1])o1
Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=S)Nc2cccc(Cl)c2)o1 c1cc2OCOc2cc1[*:1] Cc1ccc(CN(C[*:1])C(=S)Nc2cccc(Cl)c2)o1
CCOC(=O)c1ccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 c1ccc2[nH]c(nc2c1)[*:1] CCOC(=O)c1ccc(cc1)NC(=S)N1CCC(CC1)[*:1]
CCOC(=O)c1ccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 CCOC(=O)[*:1] S=C(Nc1ccc(cc1)[*:1])N1CCC(CC1)c1nc2ccccc2[nH]1
Cc1cc(OC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc(C(C)C)c1 O=[N+]([O-])[*:1] Cc1cc(cc(c1)C(C)C)OC(=O)[C@H]1C[C@@H]1[*:1]
Cc1cc(OC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc(C(C)C)c1 CC(C)[*:1] Cc1cc(cc(c1)[*:1])OC(=O)[C@H]1C[C@H]1[N+](=O)[O-]
Cc1ccccc1-c1nnc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2 Cc1ccccc1[*:1] O=[N+]([O-])c1ccc(cc1)C1CSc2nnc(n2N=1)[*:1]
Cc1ccccc1-c1nnc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2 O=[N+]([O-])[*:1] Cc1ccccc1-c1nnc2SCC(=Nn21)c1ccc(cc1)[*:1]
Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccc(cc1C(=O)Nc1ccccc1[*:1])S(N)(=O)=O
Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccccc1N1CCOCC1 NS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)Nc1ccccc1N1CCOCC1)[*:1]
CNS(=O)(=O)c1cc(NC(=O)CCl)ccc1C O=C(CCl)N[*:1] CNS(=O)(=O)c1cc(ccc1C)[*:1]
CNS(=O)(=O)c1cc(NC(=O)CCl)ccc1C CNS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)CCl
O=C(Cc1cc(F)ccc1F)N[C@@H]1CCN(c2ccccc2)C1=O Fc1ccc(F)c(c1)[*:1] O=C(C[*:1])N[C@@H]1CCN(C1=O)c1ccccc1
O=C(Cc1cc(F)ccc1F)N[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(Cc1cc(F)ccc1F)N[C@@H]1CCN(C1=O)[*:1]
COCC[NH2+]C[C@@H](O)c1cncn1C(C)C COCC[*:1] CC(C)n1cncc1[C@H](O)C[NH2+][*:1]
COCC[NH2+]C[C@@H](O)c1cncn1C(C)C CC(C)[*:1] COCC[NH2+]C[C@@H](O)c1cncn1[*:1]
COCC[NH2+]C[C@@H](O)c1cncn1C(C)C COC[*:1] CC(C)n1cncc1[C@H](O)C[NH2+]C[*:1]
CCc1ccc(NC(=O)CSc2nncn2-c2ccccc2)cc1 CCc1ccc(cc1)[*:1] O=C(CSc1nncn1-c1ccccc1)N[*:1]
CCc1ccc(NC(=O)CSc2nncn2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)CSc1nncn1[*:1]
C/C=C/c1ccc(OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c(OC)c1 O=[N+]([O-])[*:1] C/C=C/c1ccc(OC(=O)c2ccc(c(c2)[*:1])-n2cncn2)c(c1)OC
C/C=C/c1ccc(OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c(OC)c1 CC=C[*:1] COc1cc(ccc1OC(=O)c1ccc(c(c1)[N+](=O)[O-])-n1cncn1)[*:1]
C/C=C/c1ccc(OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c(OC)c1 c1ncn(n1)[*:1] C/C=C/c1ccc(OC(=O)c2ccc(c(c2)[N+](=O)[O-])[*:1])c(c1)OC
CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 CNC(=O)[*:1] N#CC(=Cc1cn(nc1-c1ccc(cc1)OCc1ccccc1F)-c1ccccc1)[*:1]
CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 c1ccc(cc1)[*:1] CNC(=O)/C(C#N)=C\c1cn(nc1-c1ccc(cc1)OCc1ccccc1F)[*:1]
CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 CNC(=O)C(C#N)=C[*:1] Fc1ccccc1COc1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 Fc1ccccc1CO[*:1] CNC(=O)/C(C#N)=C\c1cn(nc1-c1ccc(cc1)[*:1])-c1ccccc1
CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 Fc1ccccc1C[*:1] CNC(=O)/C(C#N)=C\c1cn(nc1-c1ccc(cc1)O[*:1])-c1ccccc1
CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 Fc1ccccc1[*:1] CNC(=O)/C(C#N)=C\c1cn(nc1-c1ccc(cc1)OC[*:1])-c1ccccc1
CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c(c1=O)S[C@H](C)C2 Cc1cc(C)c(c(C)c1)[*:1] CCn1c(nc2C[C@@H](C)Sc2c1=O)SCC(=O)N[*:1]
CC(=O)NCCN1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CC(=O)NCCN1CC(=O)N(C[C@@H]1C[*:1])c1ccccc1-c1ccccc1
CC(=O)NCCN1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 CC(=O)NC[*:1] O=C1CN(C[*:1])[C@@H](Cc2ccccc2)CN1c1ccccc1-c1ccccc1
CC(=O)NCCN1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 CC(=O)NCC[*:1] O=C1CN([C@@H](Cc2ccccc2)CN1c1ccccc1-c1ccccc1)[*:1]
CC(=O)NCCN1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CC(=O)NCCN1CC(=O)N(C[C@@H]1Cc1ccccc1)c1ccccc1[*:1]
CC(=O)NCCN1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(=O)NCCN1CC(=O)N(C[C@H]1[*:1])c1ccccc1-c1ccccc1
CC(=O)NCCN1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 CC(=O)N[*:1] O=C1CN(CC[*:1])[C@@H](Cc2ccccc2)CN1c1ccccc1-c1ccccc1
N#Cc1cccc(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 N#Cc1cccc(c1)[*:1] O=C1C[C@H](Cc2ccc(cc2)C(=O)N[*:1])C(=O)N1
[NH3+][C@H](C(=O)N1CCC(Cn2cc(CO)nn2)CC1)C1CCCCC1 OCc1cn(C[*:1])nn1 [NH3+][C@H](C(=O)N1CCC(CC1)[*:1])C1CCCCC1
[NH3+][C@H](C(=O)N1CCC(Cn2cc(CO)nn2)CC1)C1CCCCC1 OCc1cn(nn1)[*:1] [NH3+][C@H](C(=O)N1CCC(CC1)C[*:1])C1CCCCC1
[NH3+][C@H](C(=O)N1CCC(Cn2cc(CO)nn2)CC1)C1CCCCC1 C1CCC(CC1)[*:1] [NH3+][C@H](C(=O)N1CCC(CC1)Cn1cc(CO)nn1)[*:1]
C[C@H](NC(=O)c1ccc(NC(N)=O)cc1)C(=O)[O-] NC(=O)N[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])C(=O)[O-]
C[C@H](NC(=O)c1ccc(NC(N)=O)cc1)C(=O)[O-] O=C([O-])[*:1] C[C@H](NC(=O)c1ccc(cc1)NC(N)=O)[*:1]
CCNC(=O)[C@H](C)NC(=O)C[C@@H]1C[NH2+]CCO1 CCNC(=O)[*:1] C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[*:1]
Cc1cc2n(n1)[C@H](c1cccnc1)Nc1ccccc1-2 c1cncc(c1)[*:1] Cc1cc2-c3ccccc3N[C@@H](n2n1)[*:1]
CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC)cc1 CCNC(=O)[*:1] CCCOc1ccc(cc1)C(=O)Nc1ccccc1[*:1]
CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC)cc1 CCCO[*:1] CCNC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC)cc1 CCC[*:1] CCNC(=O)c1ccccc1NC(=O)c1ccc(cc1)O[*:1]
Cc1ccc(C(=O)Nc2nn(C)c3c2[C@H](c2ccco2)CC(=O)N3)cc1[N+](=O)[O-] c1coc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc1nn(C)c2NC(=O)C[C@@H](c12)[*:1]
Cc1ccc(C(=O)Nc2nn(C)c3c2[C@H](c2ccco2)CC(=O)N3)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1nn(C)c2NC(=O)C[C@@H](c3ccco3)c12
O=C(C[NH+]1CCN(C[C@H](O)c2ccccc2Cl)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O[C@@H](CN1CC[NH+](CC1)[*:1])c1ccccc1Cl
O=C(C[NH+]1CCN(C[C@H](O)c2ccccc2Cl)CC1)NC1CC1 C1CC1[*:1] O=C(C[NH+]1CCN(CC1)C[C@H](O)c1ccccc1Cl)N[*:1]
O=C(C[NH+]1CCN(C[C@H](O)c2ccccc2Cl)CC1)NC1CC1 Clc1ccccc1[*:1] O=C(C[NH+]1CCN(CC1)C[C@H](O)[*:1])NC1CC1
O=C(C[NH+]1CCN(C[C@H](O)c2ccccc2Cl)CC1)NC1CC1 O=C(NC1CC1)[*:1] O[C@@H](CN1CC[NH+](CC1)C[*:1])c1ccccc1Cl
CN(c1nc2ccccn2c(=O)c1[N+](=O)[O-])C1CCC(C)(C)CC1 CC1(C)CCC(CC1)[*:1] CN(c1nc2ccccn2c(=O)c1[N+](=O)[O-])[*:1]
CN(c1nc2ccccn2c(=O)c1[N+](=O)[O-])C1CCC(C)(C)CC1 O=[N+]([O-])[*:1] CN(c1nc2ccccn2c(=O)c1[*:1])C1CCC(C)(C)CC1
C/C(Cl)=C/Cn1c(SCCBr)nc2c1c(=O)[nH]c(=O)n2C CC(Cl)=C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCCBr)n2C[*:1]
C/C(Cl)=C/Cn1c(SCCBr)nc2c1c(=O)[nH]c(=O)n2C C/C(Cl)=C/C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(SCCBr)n2[*:1]
C/C(Cl)=C/Cn1c(SCCBr)nc2c1c(=O)[nH]c(=O)n2C BrCC[*:1] C/C(Cl)=C/Cn1c(nc2c1c(=O)[nH]c(=O)n2C)S[*:1]
C/C(Cl)=C/Cn1c(SCCBr)nc2c1c(=O)[nH]c(=O)n2C BrCCS[*:1] C/C(Cl)=C/Cn1c(nc2c1c(=O)[nH]c(=O)n2C)[*:1]
Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCO[C@H](C)C2)c1 CS(=O)(=O)[*:1] Cc1cc(c(C)c(c1)[*:1])S(=O)(=O)N1CCO[C@H](C)C1
CCO[C@@H](C)c1noc(CNC(=O)N2CCC[C@H]2c2ccc(C)s2)n1 CCO[C@@H](C)[*:1] Cc1ccc(s1)[C@@H]1CCCN1C(=O)NCc1nc(no1)[*:1]
CCO[C@@H](C)c1noc(CNC(=O)N2CCC[C@H]2c2ccc(C)s2)n1 Cc1ccc(s1)[*:1] CCO[C@@H](C)c1noc(CNC(=O)N2CCC[C@@H]2[*:1])n1
CCO[C@@H](C)c1noc(CNC(=O)N2CCC[C@H]2c2ccc(C)s2)n1 CCO[*:1] Cc1ccc(s1)[C@@H]1CCCN1C(=O)NCc1nc(no1)[C@H](C)[*:1]
C=CCN(CC(=O)[O-])C(=O)NC1CCCC1 O=C([O-])C[*:1] C=CCN(C(=O)NC1CCCC1)[*:1]
C=CCN(CC(=O)[O-])C(=O)NC1CCCC1 C=CC[*:1] O=C([O-])CN(C(=O)NC1CCCC1)[*:1]
C=CCN(CC(=O)[O-])C(=O)NC1CCCC1 C1CCC(C1)[*:1] C=CCN(CC(=O)[O-])C(=O)N[*:1]
C=CCN(CC(=O)[O-])C(=O)NC1CCCC1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)NC1CCCC1
COc1ccc([C@@H](C)C(=O)OCc2cccnc2Cl)cc1OC Clc1ncccc1[*:1] COc1ccc(cc1OC)[C@@H](C)C(=O)OC[*:1]
O=c1c2nnn(-c3ccccc3)c2ncn1Cc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=c1c2nnn(-c3ccccc3)c2ncn1C[*:1]
O=c1c2nnn(-c3ccccc3)c2ncn1Cc1ccc(F)cc1F c1ccc(cc1)[*:1] O=c1c2nnn(c2ncn1Cc1ccc(F)cc1F)[*:1]
Cc1ccc([C@H](Cc2ccsc2)NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)nc1 c1cc(cs1)C[*:1] Cc1ccc(nc1)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)[*:1]
Cc1ccc([C@H](Cc2ccsc2)NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)nc1 c1cc(cs1)[*:1] Cc1ccc(nc1)[C@H](C[*:1])NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
Cc1ccc([C@H](Cc2ccsc2)NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)nc1 Cc1ccc(nc1)[*:1] O=c1[nH]c(=O)c2cc(ccc2[nH]1)S(=O)(=O)N[C@@H](Cc1ccsc1)[*:1]
CN(C)c1cc(CNC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc[nH+]1 c1ccc(cc1)[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CN(C)c1cc(CNC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc[nH+]1 O=C(Nc1ccccc1)[*:1] CN(C)c1cc(cc[nH+]1)CNC(=O)N1CCC[C@H](C1)[*:1]
CN(C)c1cc(CNC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc[nH+]1 CN(C)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)NCc1cc[nH+]c(c1)[*:1]
CC[NH2+][C@@H]1C(=O)Nc2cc(O[C@H](C)COC)c(Cl)cc21 COC[C@@H](C)O[*:1] CC[NH2+][C@@H]1C(=O)Nc2cc(c(Cl)cc21)[*:1]
CC[NH2+][C@@H]1C(=O)Nc2cc(O[C@H](C)COC)c(Cl)cc21 COC[*:1] CC[NH2+][C@@H]1C(=O)Nc2cc(O[C@H](C)[*:1])c(Cl)cc21
CC[NH2+][C@@H]1C(=O)Nc2cc(O[C@H](C)COC)c(Cl)cc21 COC[C@@H](C)[*:1] CC[NH2+][C@@H]1C(=O)Nc2cc(O[*:1])c(Cl)cc21
CCOC(=O)[C@@H](C)Sc1nnc(COC)n1N CCOC(=O)[*:1] COCc1nnc(S[C@H](C)[*:1])n1N
CCOC(=O)[C@@H](C)Sc1nnc(COC)n1N COC[*:1] CCOC(=O)[C@@H](C)Sc1nnc(n1N)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1cccc(OCC(F)F)n1 FC(F)[*:1] C[C@@H](CC#N)N(C)C(=O)c1cccc(n1)OC[*:1]
C[C@@H](CC#N)N(C)C(=O)c1cccc(OCC(F)F)n1 FC(F)C[*:1] C[C@@H](CC#N)N(C)C(=O)c1cccc(n1)O[*:1]
C[C@@H](CC#N)N(C)C(=O)c1cccc(OCC(F)F)n1 C[C@@H](CC#N)[*:1] CN(C(=O)c1cccc(n1)OCC(F)F)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1cccc(OCC(F)F)n1 N#CC[*:1] C[C@@H](N(C)C(=O)c1cccc(n1)OCC(F)F)[*:1]
C[C@@H](CC#N)N(C)C(=O)c1cccc(OCC(F)F)n1 FC(F)CO[*:1] C[C@@H](CC#N)N(C)C(=O)c1cccc(n1)[*:1]
Cc1nccn1-c1cncc(N2CCC[C@H](c3ccccc3)CC2)n1 Cc1nccn1[*:1] c1ccc(cc1)[C@H]1CCCN(CC1)c1cncc(n1)[*:1]
Cc1nccn1-c1cncc(N2CCC[C@H](c3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1nccn1-c1cncc(n1)N1CCC[C@H](CC1)[*:1]
C=CC[C@H]([NH2+]CCC)C1([NH+]2CCCCC2)CCCC1 C=CC[*:1] CCC[NH2+][C@H](C1(CCCC1)[NH+]1CCCCC1)[*:1]
C=CC[C@H]([NH2+]CCC)C1([NH+]2CCCCC2)CCCC1 CCC[*:1] C=CC[C@H]([NH2+][*:1])C1(CCCC1)[NH+]1CCCCC1
CCn1cc[nH+]c1N(CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] CCn1cc[nH+]c1N(CC1CC[NH2+]CC1)[*:1]
O=C(c1ccc(NCc2ccccc2)nc1)N1CCCN(c2ncccn2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccc(nc1)N[*:1])N1CCCN(CC1)c1ncccn1
O=C(c1ccc(NCc2ccccc2)nc1)N1CCCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1ccc(nc1)NCc1ccccc1)N1CCCN(CC1)[*:1]
O=C(c1ccc(NCc2ccccc2)nc1)N1CCCN(c2ncccn2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(nc1)NC[*:1])N1CCCN(CC1)c1ncccn1
O=C(c1ccc(NCc2ccccc2)nc1)N1CCCN(c2ncccn2)CC1 c1ccc(cc1)CN[*:1] O=C(c1ccc(nc1)[*:1])N1CCCN(CC1)c1ncccn1
Cc1ccc(NC(=S)NNC(=O)CSC(C)(C)C)cc1C CC(C)(C)S[*:1] Cc1ccc(cc1C)NC(=S)NNC(=O)C[*:1]
Cc1ccc(NC(=S)NNC(=O)CSC(C)(C)C)cc1C CC(C)(C)SC[*:1] Cc1ccc(cc1C)NC(=S)NNC(=O)[*:1]
Cc1ccc(NC(=S)NNC(=O)CSC(C)(C)C)cc1C CC(C)(C)[*:1] Cc1ccc(cc1C)NC(=S)NNC(=O)CS[*:1]
COc1cccc(NC(=O)CCNC(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)CCNC(=O)C[*:1]
COc1cccc(NC(=O)CCNC(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)CCNC(=O)[*:1]
COc1cc2c(cc1NC(=O)Cn1cnc(C#N)n1)oc1ccccc12 N#Cc1ncn(n1)[*:1] COc1cc2c(cc1NC(=O)C[*:1])oc1ccccc12
COc1cc2c(cc1NC(=O)Cn1cnc(C#N)n1)oc1ccccc12 N#Cc1ncn(C[*:1])n1 COc1cc2c(cc1NC(=O)[*:1])oc1ccccc12
C=C1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)[O-])[C@H]2CC[C@]1(O)C3 O=C([O-])[*:1] C=C1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@]4(C)[*:1])[C@H]2CC[C@]1(O)C3
Cc1ccc(C(=O)NNC(=O)c2nonc2N)s1 Cc1ccc(s1)[*:1] Nc1nonc1C(=O)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)c2nonc2N)s1 Nc1nonc1[*:1] Cc1ccc(s1)C(=O)NNC(=O)[*:1]
C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1cccc(c1)[*:1]
C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1 O=C1CC[C@H](N1)[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)C(F)(F)F
C[C@H]1CN([C@@H](C)c2nnnn2-c2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)[C@@H](C)c1nnnn1[*:1]
CCC[C@@H](NC(N)=O)C(=O)N1CCc2cc(F)ccc2C1 CCC[*:1] NC(=O)N[C@@H](C(=O)N1CCc2cc(F)ccc2C1)[*:1]
CCC[C@@H](NC(N)=O)C(=O)N1CCc2cc(F)ccc2C1 NC(=O)N[*:1] CCC[C@@H](C(=O)N1CCc2cc(F)ccc2C1)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(Cl)n1 Cc1ccc(c(Cl)n1)[*:1] C[NH+](C)[C@@H](CNC(=O)C(=O)N[*:1])C1CCCCC1
Cc1ccc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(Cl)n1 C1CCC(CC1)[*:1] Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH+](C)C)[*:1])c(Cl)n1
O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc2ncccc2c1 c1cn(cn1)[*:1] O=C(NCc1ccc(cc1)C[*:1])c1ccc2ncccc2c1
O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc2ncccc2c1 c1cn(cn1)C[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc2ncccc2c1
C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1C[*:1]
C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1CCc1ccccc1 C[C@H](NC(N)=O)[*:1] O=C(N1CCCC[C@H]1CCc1ccccc1)[*:1]
C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1CCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1CC[*:1]
C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1CCc1ccccc1 NC(=O)N[*:1] C[C@H](C(=O)N1CCCC[C@H]1CCc1ccccc1)[*:1]
Cc1cccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2Cc2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(CCNS(=O)(=O)[*:1])N1CCC[C@H]1Cc1ccccc1
Cc1cccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)S(=O)(=O)NCCC(=O)N1CCC[C@H]1C[*:1]
Cc1cccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)S(=O)(=O)NCCC(=O)N1CCC[C@@H]1[*:1]
C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc12)c1ccccc1 C[C@@H]1CCCN(C1)S(=O)(=O)[*:1] C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(cc12)[*:1])c1ccccc1
C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc12)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCC[C@@H](C)C1)[*:1]
C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc12)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N[*:1])c2c1
CCC[NH2+][C@H](C)c1ccc(Cl)cn1 CCC[*:1] C[C@@H]([NH2+][*:1])c1ccc(Cl)cn1
CC(C)C[C@H](NC(=O)Cc1cccc(F)c1F)C(=O)Nc1nccs1 CC(C)C[*:1] O=C(Cc1cccc(F)c1F)N[C@H](C(=O)Nc1nccs1)[*:1]
CC(C)C[C@H](NC(=O)Cc1cccc(F)c1F)C(=O)Nc1nccs1 CC(C)[*:1] O=C(Cc1cccc(F)c1F)N[C@@H](C[*:1])C(=O)Nc1nccs1
CC(C)C[C@H](NC(=O)Cc1cccc(F)c1F)C(=O)Nc1nccs1 O=C(Nc1nccs1)[*:1] CC(C)C[C@H](NC(=O)Cc1cccc(F)c1F)[*:1]
CC(C)C[C@H](NC(=O)Cc1cccc(F)c1F)C(=O)Nc1nccs1 Fc1cccc(c1F)[*:1] CC(C)C[C@H](NC(=O)C[*:1])C(=O)Nc1nccs1
CC(C)C[C@H](NC(=O)Cc1cccc(F)c1F)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)C[C@H](NC(=O)Cc1cccc(F)c1F)C(=O)N[*:1]
CC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)CCc1ccccc1F Fc1ccccc1[*:1] CC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)CC[*:1]
O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)N[C@@H]1CCC[C@H]1CO Clc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])N[C@@H]1CCC[C@H]1CO
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1COc2ccccc2O1 Fc1ccc(cc1)[*:1] O=C(N[C@@H](CC(F)(F)F)[*:1])[C@@H]1COc2ccccc2O1
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1COc2ccccc2O1 FC(F)(F)C[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])[C@@H]1COc2ccccc2O1
O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1COc2ccccc2O1 FC(F)(F)[*:1] O=C(N[C@@H](C[*:1])c1ccc(F)cc1)[C@@H]1COc2ccccc2O1
C[C@H](Nc1ccc(CC#N)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 N#CC[*:1] C[C@H](Nc1ccc(cc1)[*:1])C(=O)NC[C@@H]1COc2ccccc2O1
C/[NH+]=C(/NCc1ccnc(-n2ccnc2)c1)NCc1ccc(C)cc1C c1cn(cn1)[*:1] C/[NH+]=C(/NCc1ccnc(c1)[*:1])NCc1ccc(C)cc1C
C/[NH+]=C(/NCc1ccnc(-n2ccnc2)c1)NCc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] C/[NH+]=C(/NCc1ccnc(c1)-n1ccnc1)NC[*:1]
C[NH2+][C@H](Cc1ccccc1Cl)C(C)(C)OC COC(C)(C)[*:1] C[NH2+][C@H](Cc1ccccc1Cl)[*:1]
CN(C)c1nc(N)nc(Cc2[nH+]ccn2C)n1 CN(C)[*:1] Cn1cc[nH+]c1Cc1nc(N)nc(n1)[*:1]
Cc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]c(=O)c1CCO OCC[*:1] Cc1nc([nH]c(=O)c1[*:1])SCC(=O)Nc1cccc(c1)[N+](=O)[O-]
Cc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]c(=O)c1CCO O=[N+]([O-])[*:1] Cc1nc([nH]c(=O)c1CCO)SCC(=O)Nc1cccc(c1)[*:1]
Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)N(c2ccc(C)c(C)c2)C(=O)N=C1[O-] Cc1ccc(cc1C)[*:1] Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)N(C(=O)N=C1[O-])[*:1]
CCOC(=O)[C@H](N)c1ccc(CC)cc1 CCOC(=O)[*:1] CCc1ccc(cc1)[C@@H](N)[*:1]
COc1ccccc1N(C)C(=O)COC1CCCCC1 C1CCC(CC1)[*:1] COc1ccccc1N(C)C(=O)CO[*:1]
COCC(=O)NNC(=O)c1ccccc1C COC[*:1] Cc1ccccc1C(=O)NNC(=O)[*:1]
COc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(C)cc3)o2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1ccc(CNC(=O)[*:1])o1
COc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(C)cc3)o2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)NCc1ccc(o1)C(=O)N[*:1]
CC(C)(C)c1ccc(NC(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)nn1 CC(C)(C)[*:1] O=C(Nc1ccc(nn1)[*:1])N[C@@H](CO)c1ccc(Cl)c(F)c1
CC(C)(C)c1ccc(NC(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)nn1 Fc1cc(ccc1Cl)[*:1] CC(C)(C)c1ccc(nn1)NC(=O)N[C@@H](CO)[*:1]
CC(C)(C)C(=O)Cn1ncnc1-c1cccc(C#N)c1 CC(C)(C)C(=O)[*:1] N#Cc1cccc(c1)-c1ncnn1C[*:1]
CC(C)(C)C(=O)Cn1ncnc1-c1cccc(C#N)c1 CC(C)(C)[*:1] N#Cc1cccc(c1)-c1ncnn1CC(=O)[*:1]
O=C(C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCC[NH2+]C1)OCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCC[NH2+]C1)O[*:1]
O=C(C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCC[NH2+]C1)OCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCC[NH2+]C1)OC[*:1]
O=C(C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCC[NH2+]C1)OCCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCC[NH2+]C1)OCC[*:1]
C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1nc2c(s1)CCCC2 c1ccc(cc1)[*:1] C[C@@H]([NH2+]C[C@H]1CN(CCO1)C[*:1])c1nc2CCCCc2s1
C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1nc2c(s1)CCCC2 c1ccc(cc1)C[*:1] C[C@@H]([NH2+]C[C@H]1CN(CCO1)[*:1])c1nc2CCCCc2s1
CCCc1nsc(N2CCO[C@H](CC(=O)[O-])C2)n1 O=C([O-])C[*:1] CCCc1nsc(n1)N1CCO[C@H](C1)[*:1]
CCCc1nsc(N2CCO[C@H](CC(=O)[O-])C2)n1 CCC[*:1] O=C([O-])C[C@@H]1CN(CCO1)c1nc(ns1)[*:1]
CCCc1nsc(N2CCO[C@H](CC(=O)[O-])C2)n1 O=C([O-])[*:1] CCCc1nsc(n1)N1CCO[C@@H](C1)C[*:1]
C/C=C/C[S@](=O)CC(=O)Nc1c(C)cccc1C C/C=C/C[*:1] Cc1cccc(C)c1NC(=O)C[S@@](=O)[*:1]
C/C=C/C[S@](=O)CC(=O)Nc1c(C)cccc1C CC=C[*:1] Cc1cccc(C)c1NC(=O)C[S@@](=O)C[*:1]
O=C(NCCC1=CCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12 O=S(=O)(N1CCCCCC1)[*:1] O=C(NCCC1=CCCCC1)c1cc(=O)[nH]c2ccc(cc12)[*:1]
CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(C)cn23)n(C)c1=O CC(=O)[*:1] Cc1ccc(c(C)c1)-n1c(C)cn2c3c(=O)n(C[*:1])c(=O)n(C)c3nc12
CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(C)cn23)n(C)c1=O Cc1ccc(c(C)c1)[*:1] CC(=O)Cn1c(=O)c2c(nc3n(c(C)cn23)[*:1])n(C)c1=O
CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(C)cn23)n(C)c1=O CC(=O)C[*:1] Cc1ccc(c(C)c1)-n1c(C)cn2c3c(=O)n(c(=O)n(C)c3nc12)[*:1]
O=C(NCc1ccccn1)c1n[nH]c2cccc(Cl)c12 c1ccc(nc1)[*:1] O=C(NC[*:1])c1n[nH]c2cccc(Cl)c12
C#CCN1CCN([C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 C#CC[*:1] C[C@@H](C(=O)N1CCN(CC1)c1cccc(Cl)c1)N1CCN(CC1)[*:1]
C#CCN1CCN([C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 Clc1cccc(c1)[*:1] C#CCN1CCN(CC1)[C@@H](C)C(=O)N1CCN(CC1)[*:1]
Cc1ccsc1CNC(=O)NCc1nc(C(=O)[O-])cs1 O=C([O-])[*:1] Cc1ccsc1CNC(=O)NCc1nc(cs1)[*:1]
Cc1ccsc1CNC(=O)NCc1nc(C(=O)[O-])cs1 Cc1ccsc1[*:1] O=C(NCc1nc(cs1)C(=O)[O-])NC[*:1]
Cc1ccc(S(=O)(=O)c2cn(CC(=O)NCC[NH+](C)C)c3ccccc23)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)CCNC(=O)Cn1cc(c2ccccc21)S(=O)(=O)[*:1]
CCc1nnc([O-])c(C(=O)NCC(C)(C)c2ccncc2)c1CC c1cc(ccn1)[*:1] CCc1nnc([O-])c(C(=O)NCC(C)(C)[*:1])c1CC
N[C@@H](c1ccc2[nH]c(=O)oc2c1)C(F)(F)C(F)(F)F FC(F)(F)[*:1] N[C@@H](c1ccc2[nH]c(=O)oc2c1)C(F)(F)[*:1]
CC[NH2+][C@@H](Cc1ccn([C@H](C)CC)n1)c1ncc[nH]1 CC[C@@H](C)[*:1] CC[NH2+][C@@H](Cc1ccn(n1)[*:1])c1ncc[nH]1
CC[NH2+][C@@H](Cc1ccn([C@H](C)CC)n1)c1ncc[nH]1 c1c[nH]c(n1)[*:1] CC[NH2+][C@@H](Cc1ccn(n1)[C@H](C)CC)[*:1]
COCCOc1ccc(NC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)cc1F c1ccc(cc1)[*:1] COCCOc1ccc(cc1F)NC(=O)N1C[C@H](C)O[C@H](C1)[*:1]
COCCOc1ccc(NC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)cc1F COCCO[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)Nc1ccc(c(F)c1)[*:1]
COCCOc1ccc(NC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)cc1F COC[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)Nc1ccc(OC[*:1])c(F)c1
COCCOc1ccc(NC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)cc1F COCC[*:1] C[C@H]1CN(C[C@H](O1)c1ccccc1)C(=O)Nc1ccc(O[*:1])c(F)c1
CC(=O)N1CCC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] CC(=O)N1CCC(CC1)C(=O)NCCNc1ccc(cc1)[*:1]
C[C@@H]([NH2+]CC1CCCC1)c1nc2ccccc2s1 C1CCC(C1)C[*:1] C[C@@H]([NH2+][*:1])c1nc2ccccc2s1
C[C@@H]([NH2+]CC1CCCC1)c1nc2ccccc2s1 C1CCC(C1)[*:1] C[C@@H]([NH2+]C[*:1])c1nc2ccccc2s1
COc1ncccc1CNC(=O)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)C[*:1] COc1ncccc1CNC(=O)N1CCC[C@@H]1[*:1]
COc1ncccc1CNC(=O)N1CCC[C@H]1CN1CCOCC1 COc1ncccc1[*:1] O=C(NC[*:1])N1CCC[C@H]1CN1CCOCC1
COc1ncccc1CNC(=O)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] COc1ncccc1CNC(=O)N1CCC[C@H]1C[*:1]
COc1ccc(OC)c(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)c1 Cc1cc(C)n(CC[*:1])n1 COc1ccc(OC)c(c1)C(=O)N(c1nc2ccccc2s1)[*:1]
COc1ccc(OC)c(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)c1 Cc1cc(C)n(n1)[*:1] COc1ccc(OC)c(c1)C(=O)N(CC[*:1])c1nc2ccccc2s1
COc1ccc(OC)c(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)c1 c1ccc2sc(nc2c1)[*:1] COc1ccc(OC)c(c1)C(=O)N(CCn1nc(C)cc1C)[*:1]
COc1ccc(OC)c(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)c1 Cc1cc(C)n(C[*:1])n1 COc1ccc(OC)c(c1)C(=O)N(C[*:1])c1nc2ccccc2s1
COc1ccc(OC)c(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)c1 COc1ccc(OC)c(c1)[*:1] Cc1cc(C)n(CCN(C(=O)[*:1])c2nc3ccccc3s2)n1
Cc1ccc(C[C@H](C)NC(=O)Nc2ccccc2CC(=O)N(C)C)c(C)c1 Cc1ccc(C[*:1])c(C)c1 C[C@H](NC(=O)Nc1ccccc1CC(=O)N(C)C)[*:1]
Cc1ccc(C[C@H](C)NC(=O)Nc2ccccc2CC(=O)N(C)C)c(C)c1 CN(C)C(=O)[*:1] Cc1ccc(C[C@H](C)NC(=O)Nc2ccccc2C[*:1])c(C)c1
Cc1ccc(C[C@H](C)NC(=O)Nc2ccccc2CC(=O)N(C)C)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](C[*:1])NC(=O)Nc1ccccc1CC(=O)N(C)C
Cc1ccc(C[C@H](C)NC(=O)Nc2ccccc2CC(=O)N(C)C)c(C)c1 CN(C)C(=O)C[*:1] Cc1ccc(C[C@H](C)NC(=O)Nc2ccccc2[*:1])c(C)c1
O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)NCc1nc2ccccc2s1 c1cc(cs1)C[*:1] O=C(CC[C@]1(CCC(=O)N1)[*:1])NCc1nc2ccccc2s1
O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)NCc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(CC[C@]1(CCC(=O)N1)Cc1ccsc1)NC[*:1]
O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)NCc1nc2ccccc2s1 c1cc(cs1)[*:1] O=C(CC[C@]1(CCC(=O)N1)C[*:1])NCc1nc2ccccc2s1
Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)c2c(-c3ccccc3)noc2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1c2ccccc2CCN1C(=O)c1c(noc1C)[*:1]
Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)c2c(-c3ccccc3)noc2C)cc1 Cc1ccc(cc1)[*:1] Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2[C@H]1[*:1]
CCC[NH2+]CCO[C@@H]1CCOC2(CCC2)C1 CCC[*:1] C1CC2(C1)C[C@@H](CCO2)OCC[NH2+][*:1]
COC(=O)c1cncc(C(=O)NC[C@@H](O)c2cccc(C)c2)c1 Cc1cccc(c1)[*:1] COC(=O)c1cncc(c1)C(=O)NC[C@@H](O)[*:1]
COC(=O)c1cncc(C(=O)NC[C@@H](O)c2cccc(C)c2)c1 COC(=O)[*:1] Cc1cccc(c1)[C@H](O)CNC(=O)c1cncc(c1)[*:1]
COCS[C@H](C(C)C)n1nnc2ccccc21 COC[*:1] CC(C)[C@@H](S[*:1])n1nnc2ccccc21
COCS[C@H](C(C)C)n1nnc2ccccc21 COCS[*:1] CC(C)[C@H](n1nnc2ccccc21)[*:1]
COCS[C@H](C(C)C)n1nnc2ccccc21 CC(C)[*:1] COCS[C@H](n1nnc2ccccc21)[*:1]
Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCN(Cc3cc(C)on3)CC2)cc1 Cc1cc(C[*:1])no1 Cc1ccc(cc1)NC(=O)[C@H](c1ccccc1)[NH+]1CCN(CC1)[*:1]
Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCN(Cc3cc(C)on3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@H]([NH+]1CCN(CC1)Cc1cc(C)on1)[*:1]
Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCN(Cc3cc(C)on3)CC2)cc1 Cc1cc(no1)[*:1] Cc1ccc(cc1)NC(=O)[C@H](c1ccccc1)[NH+]1CCN(CC1)C[*:1]
Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCN(Cc3cc(C)on3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(CN2CC[NH+](CC2)[C@H](C(=O)N[*:1])c2ccccc2)no1
Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCN(Cc3cc(C)on3)CC2)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1cc(CN2CC[NH+](CC2)[C@@H](c2ccccc2)[*:1])no1
CC(=O)N1CCCc2cc(S(=O)(=O)N(C)[C@H](C)c3ccc(F)cc3)ccc21 Fc1ccc(cc1)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N(C)[C@H](C)[*:1]
CC(=O)N1CCCc2cc(S(=O)(=O)N(C)[C@H](C)c3ccc(F)cc3)ccc21 C[C@H](c1ccc(F)cc1)[*:1] CC(=O)N1CCCc2cc(ccc21)S(=O)(=O)N(C)[*:1]
CC(C)[C@@H](NC[C@@H](c1cnn(C)c1)[NH+](C)C)c1ccc2c(c1)CCO2 CC(C)[*:1] Cn1cc(cn1)[C@H](CN[C@@H](c1ccc2OCCc2c1)[*:1])[NH+](C)C
CC(C)[C@@H](NC[C@@H](c1cnn(C)c1)[NH+](C)C)c1ccc2c(c1)CCO2 Cn1cc(cn1)[*:1] CC(C)[C@@H](NC[C@@H]([NH+](C)C)[*:1])c1ccc2OCCc2c1
COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1nc(C2CC2)no1)C(C)C CC(C)[*:1] COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1nc(no1)C1CC1)[*:1]
COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1nc(C2CC2)no1)C(C)C C1CC1[*:1] COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1nc(no1)[*:1])C(C)C
COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1nc(C2CC2)no1)C(C)C C1CC1c1noc(n1)[*:1] COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C(C)C)[*:1]
NC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)CC1 c1ccc(cc1)CC[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccc2C(=O)N(C[*:1])C(=O)c2c1
NC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)CC1 NC(=O)[*:1] O=C(c1ccc2C(=O)N(CCCc3ccccc3)C(=O)c2c1)N1CCC(CC1)[*:1]
NC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)CC1 c1ccc(cc1)C[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccc2C(=O)N(CC[*:1])C(=O)c2c1
NC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)CC1 c1ccc(cc1)CCC[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1]
NC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCCc2ccccc2)C3=O)CC1 c1ccc(cc1)[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccc2C(=O)N(CCC[*:1])C(=O)c2c1
Cc1ccc(C[NH2+]Cc2cnc(C)n2-c2ccccc2)s1 Cc1ccc(s1)[*:1] Cc1ncc(C[NH2+]C[*:1])n1-c1ccccc1
Cc1ccc(C[NH2+]Cc2cnc(C)n2-c2ccccc2)s1 Cc1ccc(C[*:1])s1 Cc1ncc(C[NH2+][*:1])n1-c1ccccc1
Cc1ccc(C[NH2+]Cc2cnc(C)n2-c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(C[NH2+]Cc2cnc(C)n2[*:1])s1
CCC(CC)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] CCC(CC)NC(=O)C1CCN(CC1)C(=O)[*:1]
CCC(CC)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 CCC(CC)NC(=O)[*:1] O=C(c1ccc(F)cc1F)N1CCC(CC1)[*:1]
CCC(CC)NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 CCC(CC)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1ccc(F)cc1F
Cc1ccc2[nH]c(SCc3nc(-c4cccs4)no3)nc2c1 c1csc(c1)[*:1] Cc1ccc2[nH]c(nc2c1)SCc1nc(no1)[*:1]
Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NCc1ccc(Br)cc1 c1cncc(c1)C[*:1] Cc1nc2ccn(c(=O)c2cc1C(=O)NCc1ccc(Br)cc1)[*:1]
Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NCc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NC[*:1]
Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NCc1ccc(Br)cc1 c1cncc(c1)[*:1] Cc1nc2ccn(C[*:1])c(=O)c2cc1C(=O)NCc1ccc(Br)cc1
Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)NCc1ccc(Br)cc1 Brc1ccc(cc1)C[*:1] Cc1nc2ccn(Cc3cccnc3)c(=O)c2cc1C(=O)N[*:1]
COc1ccccc1OC[C@H]1CN(C(=O)Cc2cccs2)CCO1 c1csc(c1)[*:1] COc1ccccc1OC[C@H]1CN(CCO1)C(=O)C[*:1]
COc1ccccc1OC[C@H]1CN(C(=O)Cc2cccs2)CCO1 COc1ccccc1[*:1] O=C(Cc1cccs1)N1CCO[C@@H](CO[*:1])C1
COc1ccccc1OC[C@H]1CN(C(=O)Cc2cccs2)CCO1 c1csc(c1)C[*:1] COc1ccccc1OC[C@H]1CN(CCO1)C(=O)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NCCS(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCCS(=O)(=O)N1CCN(CC1)c1ccccc1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCCc1ccccc1)N1CCC(c2cccs2)CC1 c1ccc(cc1)C[*:1] O=C(NCC[*:1])N1CCC(CC1)c1cccs1
O=C(NCCCc1ccccc1)N1CCC(c2cccs2)CC1 c1ccc(cc1)[*:1] O=C(NCCC[*:1])N1CCC(CC1)c1cccs1
O=C(NCCCc1ccccc1)N1CCC(c2cccs2)CC1 c1csc(c1)[*:1] O=C(NCCCc1ccccc1)N1CCC(CC1)[*:1]
COCCN(C1CC1)S(=O)(=O)c1cc(N)c(Cl)cc1C COC[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)N(C[*:1])C1CC1
COCCN(C1CC1)S(=O)(=O)c1cc(N)c(Cl)cc1C C1CC1[*:1] COCCN(S(=O)(=O)c1cc(N)c(Cl)cc1C)[*:1]
COCCN(C1CC1)S(=O)(=O)c1cc(N)c(Cl)cc1C COCC[*:1] Cc1cc(Cl)c(N)cc1S(=O)(=O)N(C1CC1)[*:1]
Cc1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cccc1[N+](=O)[O-] Cc1c(cccc1[*:1])[N+](=O)[O-] CC(C)(C)c1ccc(cc1)[C@@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
Cc1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cccc1[N+](=O)[O-] CC(C)(C)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(cc1)[*:1]
Cc1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cccc1[N+](=O)[O-] CC(C)(C)c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)CN1C(=O)N[C@@](C)(C1=O)c1ccc(cc1)C(C)(C)C
COC(=O)c1cc(F)ccc1Cn1c(C(F)(F)F)csc1=O FC(F)(F)[*:1] COC(=O)c1cc(F)ccc1Cn1c(csc1=O)[*:1]
COC(=O)c1cc(F)ccc1Cn1c(C(F)(F)F)csc1=O COC(=O)[*:1] O=c1scc(n1Cc1ccc(F)cc1[*:1])C(F)(F)F
N#C[C@@H]1CN(C(=O)Nc2cccc(F)c2C(=O)[O-])CCO1 O=C([O-])[*:1] N#C[C@@H]1CN(CCO1)C(=O)Nc1cccc(F)c1[*:1]
CC(NCCC(C)C)=C1C(=O)N(C)C(=O)N(C)C1=O CC(C)C[*:1] CC(NC[*:1])=C1C(=O)N(C)C(=O)N(C)C1=O
CC(NCCC(C)C)=C1C(=O)N(C)C(=O)N(C)C1=O CC(C)CCN[*:1] CC(=C1C(=O)N(C)C(=O)N(C)C1=O)[*:1]
CC(NCCC(C)C)=C1C(=O)N(C)C(=O)N(C)C1=O CC(C)[*:1] CC(NCC[*:1])=C1C(=O)N(C)C(=O)N(C)C1=O
CC(NCCC(C)C)=C1C(=O)N(C)C(=O)N(C)C1=O CC(C)CC[*:1] CC(N[*:1])=C1C(=O)N(C)C(=O)N(C)C1=O
O=c1c(C(F)(F)F)cccn1[C@H]1C=CCCC1 FC(F)(F)[*:1] O=c1c(cccn1[C@H]1C=CCCC1)[*:1]
O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1c[nH]c(=O)c(Cl)c1)C2 C1CC(C1)[*:1] O=C(c1c[nH]c(=O)c(Cl)c1)N1C[C@H]2CC[C@@H]1CN(C2)C(=O)[*:1]
O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1c[nH]c(=O)c(Cl)c1)C2 O=c1[nH]cc(cc1Cl)[*:1] O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C2)C(=O)[*:1]
COc1cccc(C(=O)n2nc(-c3ccccc3C)nc2N)c1 Cc1ccccc1[*:1] COc1cccc(c1)C(=O)n1nc(nc1N)[*:1]
CN(C[C@H](O)C1CC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)c1ccn(n1)-c1ccc(cc1)[N+](=O)[O-]
CN(C[C@H](O)C1CC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] CN(C[C@H](O)C1CC1)C(=O)c1ccn(n1)-c1ccc(cc1)[*:1]
Cc1ccc(-c2csc(NC(=O)CS(=O)(=O)C3CCCC3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(CS(=O)(=O)C1CCCC1)Nc1nc(cs1)[*:1]
Cc1ccc(-c2csc(NC(=O)CS(=O)(=O)C3CCCC3)n2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)CS(=O)(=O)[*:1]
Cc1ccc(-c2csc(NC(=O)CS(=O)(=O)C3CCCC3)n2)cc1 O=S(=O)(C1CCCC1)[*:1] Cc1ccc(cc1)-c1csc(n1)NC(=O)C[*:1]
Cc1cc(C#N)ccc1Oc1ccc([N+](=O)[O-])cc1C#N O=[N+]([O-])[*:1] Cc1cc(C#N)ccc1Oc1ccc(cc1C#N)[*:1]
O=C([C@@H]1CCCCN1C(=O)c1cccc2[nH]ccc12)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(c1cccc2[nH]ccc12)N1CCCC[C@H]1[*:1]
C[C@H](NC(=O)c1ccco1)c1ccc2ccccc2c1 c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])c1ccc2ccccc2c1
Cc1ccc(F)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] Cc1ccc(F)cc1NC(=O)c1cc(nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(F)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 Cc1ccc(F)cc1[*:1] Cc1nn(c2nc(cc(C(=O)N[*:1])c12)C1CC1)[C@@H]1CCS(=O)(=O)C1
CC(C)(C)C(=O)NCCNC(=O)N[C@H]1CCC[C@@]1(C)CO CC(C)(C)C(=O)N[*:1] C[C@@]1(CO)CCC[C@@H]1NC(=O)NCC[*:1]
CC(C)(C)C(=O)NCCNC(=O)N[C@H]1CCC[C@@]1(C)CO CC(C)(C)[*:1] C[C@@]1(CO)CCC[C@@H]1NC(=O)NCCNC(=O)[*:1]
O=C(OCc1nc2ccccc2c(=O)[nH]1)c1cccnc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(OCc1nc2ccccc2c(=O)[nH]1)c1cccnc1O[*:1]
O=C(OCc1nc2ccccc2c(=O)[nH]1)c1cccnc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(OCc1nc2ccccc2c(=O)[nH]1)c1cccnc1[*:1]
O=C(Nc1cc(Br)ccc1Cl)N[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] O=C(Nc1cc(Br)ccc1Cl)N[*:1]
O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(-n2cnnn2)cc1 c1ccc(cc1)O[*:1] O=C(CNC(=O)c1ccc(cc1)[*:1])Nc1ccc(cc1)-n1cnnn1
O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(CNC(=O)c1ccc(cc1)Oc1ccccc1)Nc1ccc(cc1)[*:1]
O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(-n2cnnn2)cc1 c1ccc(cc1)[*:1] O=C(CNC(=O)c1ccc(cc1)O[*:1])Nc1ccc(cc1)-n1cnnn1
CCc1cc(OC(=O)[C@@H](C)NC(C)=O)ccc1Cl CC(=O)N[*:1] CCc1cc(ccc1Cl)OC(=O)[C@@H](C)[*:1]
CCc1cc(OC(=O)[C@@H](C)NC(C)=O)ccc1Cl CC(=O)N[C@H](C)[*:1] CCc1cc(ccc1Cl)OC(=O)[*:1]
O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)NNC(=O)c1cccnc1 Brc1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)NC(=O)[*:1])NNC(=O)c1cccnc1
O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)NNC(=O)c1cccnc1 c1cncc(c1)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccc(Br)cc1)NNC(=O)[*:1]
Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)CO[*:1])[NH+]1CCCCC1
Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccc(Cl)cc1)NC[C@H]([NH+]1CCCCC1)[*:1]
Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 Clc1ccc(cc1)OC[*:1] Cc1ccc(cc1)[C@H](CNC(=O)[*:1])[NH+]1CCCCC1
Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 Clc1ccc(cc1)O[*:1] Cc1ccc(cc1)[C@H](CNC(=O)C[*:1])[NH+]1CCCCC1
CC[C@H](CC#N)NC(=O)N1CCC[C@@H](C)C1 N#CC[*:1] CC[C@H](NC(=O)N1CCC[C@@H](C)C1)[*:1]
CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCO[C@@H](C)C3)cnc21 CCC[*:1] C[C@H]1CN(CCO1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2[*:1]
O=C(NCc1ccc(F)cc1)c1cccc(N2CCCCS2(=O)=O)c1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])c1cccc(c1)N1CCCCS1(=O)=O
O=C(NCc1ccc(F)cc1)c1cccc(N2CCCCS2(=O)=O)c1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])c1cccc(c1)N1CCCCS1(=O)=O
O=C(NCc1ccc(F)cc1)c1cccc(N2CCCCS2(=O)=O)c1 O=S1(=O)CCCCN1[*:1] O=C(NCc1ccc(F)cc1)c1cccc(c1)[*:1]
CCCc1noc(CSCc2nc(C3CC3)no2)n1 CCC[*:1] C(SCc1nc(no1)[*:1])c1nc(no1)C1CC1
CCCc1noc(CSCc2nc(C3CC3)no2)n1 C1CC1[*:1] CCCc1noc(CSCc2nc(no2)[*:1])n1
COC(=O)c1cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c[nH]1 COC(=O)[*:1] N#C/C(=C/c1c[nH]c(c1)[*:1])C(=O)c1ccc(Cl)cc1F
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Oc1ccccc1F Fc1ccccc1[*:1] Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[*:1]
C=CCN(Cc1cccc(C#N)c1)C[C@H](O)c1cccc(F)c1 C=CC[*:1] N#Cc1cccc(c1)CN(C[C@H](O)c1cccc(F)c1)[*:1]
C=CCN(Cc1cccc(C#N)c1)C[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] C=CCN(Cc1cccc(C#N)c1)C[C@H](O)[*:1]
CC(=O)c1cccc(OCC(=O)N(CC(N)=O)C(C)C)c1 NC(=O)C[*:1] CC(=O)c1cccc(c1)OCC(=O)N(C(C)C)[*:1]
CC(=O)c1cccc(OCC(=O)N(CC(N)=O)C(C)C)c1 CC(=O)[*:1] CC(C)N(CC(N)=O)C(=O)COc1cccc(c1)[*:1]
CC(=O)c1cccc(OCC(=O)N(CC(N)=O)C(C)C)c1 NC(=O)[*:1] CC(=O)c1cccc(c1)OCC(=O)N(C[*:1])C(C)C
CC(=O)c1cccc(OCC(=O)N(CC(N)=O)C(C)C)c1 CC(C)[*:1] CC(=O)c1cccc(c1)OCC(=O)N(CC(N)=O)[*:1]
Cc1ccc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)c(N(C)C)c1 c1cnc(cn1)O[*:1] Cc1ccc(C[NH2+]Cc2ccc(cc2)[*:1])c(c1)N(C)C
Cc1ccc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)c(N(C)C)c1 c1cnc(cn1)[*:1] Cc1ccc(C[NH2+]Cc2ccc(cc2)O[*:1])c(c1)N(C)C
Cc1ccc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(C[NH2+]Cc2ccc(cc2)Oc2cnccn2)c(c1)[*:1]
CCOC(=O)c1ccc(NC(=O)[C@H](C)[C@H]2SC(=O)NC2=O)cc1 CCOC(=O)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])[C@H]1SC(=O)NC1=O
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCc1ccc2c(c1)OCCO2 CC(C)[*:1] O=C(N[C@@H](C(=O)NCc1ccc2OCCOc2c1)[*:1])c1ccccc1F
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCc1ccc2c(c1)OCCO2 Fc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)NCc1ccc2OCCOc2c1
COc1ccc([C@@H]2[C@H](C(N)=O)C(C)=Nc3ncnn32)c(OC)c1 NC(=O)[*:1] COc1ccc(c(c1)OC)[C@@H]1[C@H](C(C)=Nc2ncnn21)[*:1]
CCC[NH2+][C@H](c1cc(Br)ccc1F)[C@H](C)OC CCC[*:1] CO[C@@H](C)[C@H]([NH2+][*:1])c1cc(Br)ccc1F
CCC[NH2+][C@H](c1cc(Br)ccc1F)[C@H](C)OC CO[C@@H](C)[*:1] CCC[NH2+][C@H](c1cc(Br)ccc1F)[*:1]
C[C@@H](C(=O)NC1(C)Cc2ccccc2C1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](C(=O)NC1(C)Cc2ccccc2C1)[*:1]
C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1nccs1 CN(C)S(=O)(=O)[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])c1nccs1
C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)c1ccc(cc1)S(=O)(=O)N(C)C)[*:1]
O=C(NCCc1ccccc1)c1ccc2nc(-n3cccc3)sc2c1 c1ccc(cc1)CC[*:1] O=C(N[*:1])c1ccc2nc(sc2c1)-n1cccc1
O=C(NCCc1ccccc1)c1ccc2nc(-n3cccc3)sc2c1 c1ccn(c1)[*:1] O=C(NCCc1ccccc1)c1ccc2nc(sc2c1)[*:1]
O=C(NCCc1ccccc1)c1ccc2nc(-n3cccc3)sc2c1 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1ccc2nc(sc2c1)-n1cccc1
O=C(NCCc1ccccc1)c1ccc2nc(-n3cccc3)sc2c1 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1ccc2nc(sc2c1)-n1cccc1
Cc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] c1cc2OCOc2cc1C[NH+]1CCN(CC1)C[*:1]
O=C1C=C(c2ccccn2)Nc2ccccc2N1 c1ccc(nc1)[*:1] O=C1C=C(Nc2ccccc2N1)[*:1]
Cc1csc(-c2cccc(NC(=O)N3CCCC3(C)C)c2)n1 Cc1csc(n1)[*:1] CC1(C)CCCN1C(=O)Nc1cccc(c1)[*:1]
COc1ccccc1C(=O)N1CCC(c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 COc1ccccc1[*:1] O=C(Nc1cccc(Cl)c1)c1nnc(s1)C1CCN(CC1)C(=O)[*:1]
COc1ccccc1C(=O)N1CCC(c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 Clc1cccc(c1)[*:1] COc1ccccc1C(=O)N1CCC(CC1)c1nnc(s1)C(=O)N[*:1]
COc1ccccc1C(=O)N1CCC(c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 O=C(Nc1cccc(Cl)c1)[*:1] COc1ccccc1C(=O)N1CCC(CC1)c1nnc(s1)[*:1]
CC(C)CC[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 CC(C)[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCC[C@@H]1[NH2+]CC[*:1]
CC(C)CC[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 CC(C)C[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCC[C@@H]1[NH2+]C[*:1]
CC(C)CC[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 CC(C)CC[*:1] C1C[NH2+][C@@H](C1)[C@@H]1CCC[C@@H]1[NH2+][*:1]
C[C@@H]1C[C@H]1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 C[C@@H]1C[C@@H]1[*:1] O=C(N[*:1])N1CCC[C@@H]1c1cccc(F)c1
Cc1nccc(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)n1 O=C([O-])[*:1] Cc1nccc(CNC(=O)N2CC[C@@H]([C@H]2C)[*:1])n1
C[C@H](c1ccccc1Cl)N(C)C(=O)c1cccn1C Cn1cccc1[*:1] C[C@H](c1ccccc1Cl)N(C)C(=O)[*:1]
COC[C@@H]([NH2+]Cc1ccc(C)cc1)c1ccc(F)c(F)c1 Cc1ccc(cc1)[*:1] COC[C@@H]([NH2+]C[*:1])c1ccc(F)c(F)c1
COC[C@@H]([NH2+]Cc1ccc(C)cc1)c1ccc(F)c(F)c1 COC[*:1] Cc1ccc(cc1)C[NH2+][C@@H](c1ccc(F)c(F)c1)[*:1]
CCn1nc(C)c(NC(=O)N[C@H](C)C2CCC2)c1C C[C@H](C1CCC1)[*:1] CCn1nc(C)c(NC(=O)N[*:1])c1C
CCn1nc(C)c(NC(=O)N[C@H](C)C2CCC2)c1C C1CC(C1)[*:1] CCn1nc(C)c(NC(=O)N[C@H](C)[*:1])c1C
COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)c1 c1c(nc2SCCn12)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)Nc1cccc(c1)[*:1]
C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1Cl Cn1cc(cn1)[*:1] C[C@@H](N[C@H](CO)[*:1])c1cc(Cl)ccc1Cl
Cc1cc(C)n2c(SCC(=O)c3cc(C)n(-c4cc(C)on4)c3C)nnc2n1 Cc1cc(no1)[*:1] Cc1cc(C)n2c(nnc2n1)SCC(=O)c1cc(C)n(c1C)[*:1]
Cc1cc(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)c1ccccc1C(=O)c1cccs1
Cc1cc(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)no1 Cc1cc(C[*:1])no1 CN(C(=O)c1ccccc1C(=O)c1cccs1)[*:1]
Cc1cc(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)no1 O=C(c1cccs1)[*:1] Cc1cc(CN(C)C(=O)c2ccccc2[*:1])no1
Cc1cc(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)no1 c1csc(c1)[*:1] Cc1cc(CN(C)C(=O)c2ccccc2C(=O)[*:1])no1
O=S(=O)(c1ccc(C[NH2+]Cc2cccc(F)c2)cc1)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] Fc1cccc(c1)C[NH2+]Cc1ccc(cc1)[*:1]
O=S(=O)(c1ccc(C[NH2+]Cc2cccc(F)c2)cc1)N1CCCC1 Fc1cccc(c1)C[*:1] O=S(=O)(c1ccc(cc1)C[NH2+][*:1])N1CCCC1
O=S(=O)(c1ccc(C[NH2+]Cc2cccc(F)c2)cc1)N1CCCC1 Fc1cccc(c1)[*:1] O=S(=O)(c1ccc(cc1)C[NH2+]C[*:1])N1CCCC1
CC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 CC(=O)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cccc(c1)[*:1]
Cc1cccc2[nH+]c(CNC(=O)N(C)Cc3ccccc3C(F)(F)F)cn12 FC(F)(F)[*:1] Cc1cccc2[nH+]c(cn12)CNC(=O)N(C)Cc1ccccc1[*:1]
CC(C)CCN(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 CC(C)C[*:1] CN(C[*:1])C(=O)C1C=CC2=NS(=O)(=O)CCN2C=1
CC(C)CCN(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 CC(C)[*:1] CN(CC[*:1])C(=O)C1C=CC2=NS(=O)(=O)CCN2C=1
CC(C)CCN(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 CC(C)CC[*:1] CN(C(=O)C1C=CC2=NS(=O)(=O)CCN2C=1)[*:1]
O=C(CC12CC3CC(C1)CC(CC(=O)Nc1ccccc1)(C3)C2)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CC12CC3CC(C1)CC(CC(=O)N[*:1])(C3)C2)Nc1ccccc1
O=C(CC12CC3CC(C1)CC(CC(=O)Nc1ccccc1)(C3)C2)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=C(CC12CC3CC(C1)CC(C3)(C2)[*:1])Nc1ccccc1
O=C(CC12CC3CC(C1)CC(CC(=O)Nc1ccccc1)(C3)C2)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C(CC12CC3CC(C1)CC(C3)(C2)C[*:1])Nc1ccccc1
CC1(C)CCC[C@]1([NH3+])CCO OCC[*:1] CC1(C)CCC[C@@]1([NH3+])[*:1]
CS(=O)(=O)c1ccc(NC(=O)NCCCCn2ccccc2=O)cc1 CS(=O)(=O)[*:1] O=C(NCCCCn1ccccc1=O)Nc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(NC(=O)NCCCCn2ccccc2=O)cc1 O=c1ccccn1C[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)NCCC[*:1]
CS(=O)(=O)c1ccc(NC(=O)NCCCCn2ccccc2=O)cc1 O=c1ccccn1[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)NCCCC[*:1]
Cn1cc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cn1 Cn1cc(cn1)[*:1] O=C(N[*:1])N1CCC[C@H]1c1ccc2OCCOc2c1
C[C@@H]1CCCC[C@H]1NC(=O)CSCc1csc(-c2ccco2)n1 c1coc(c1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)CSCc1csc(n1)[*:1]
CC(C)[C@@H](NCC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)[C@@H](NCC(=O)NCc1ccc(F)cc1)[*:1]
CC(C)[C@@H](NCC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1 CC(C)[*:1] O=C(CN[C@@H](c1ccc(Cl)cc1)[*:1])NCc1ccc(F)cc1
CC(C)[C@@H](NCC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NCC(=O)NC[*:1])c1ccc(Cl)cc1
CC(C)[C@@H](NCC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1 Fc1ccc(cc1)C[*:1] CC(C)[C@@H](NCC(=O)N[*:1])c1ccc(Cl)cc1
Cc1ccc(OC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1 C1CC1C[*:1] Cc1ccc(cc1)OC(=O)[C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(OC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1 C1CC1[*:1] Cc1ccc(cc1)OC(=O)[C@H]1CC(=O)N(C1)C[*:1]
Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(N)=O)c(C)c1 NC(=O)[*:1] Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2[*:1])c(C)c1
Cc1cnn([C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)c1 Cc1cnn(c1)[*:1] O=C(CN1C(=O)CNC1=O)N1CCC[C@H](C1)[*:1]
Cc1cnn([C@@H]2CCCN(C(=O)CN3C(=O)CNC3=O)C2)c1 O=C1CNC(=O)N1[*:1] Cc1cnn(c1)[C@@H]1CCCN(C1)C(=O)C[*:1]
COc1cc(Br)c([C@H]2CC[NH2+]C[C@H]2C(C)C)cc1OC CC(C)[*:1] COc1cc(Br)c(cc1OC)[C@H]1CC[NH2+]C[C@@H]1[*:1]
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)s1 CC(=O)N[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(C[*:1])s1
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)s1 CC(=O)NC[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(s1)[*:1]
CC(C)[NH2+]C[C@H](O)COc1ccccc1-n1cccc1 CC(C)[*:1] O[C@@H](C[NH2+][*:1])COc1ccccc1-n1cccc1
CC(C)[NH2+]C[C@H](O)COc1ccccc1-n1cccc1 c1ccn(c1)[*:1] CC(C)[NH2+]C[C@H](O)COc1ccccc1[*:1]
Cc1ccc2nc(CN3C(=O)NC4(CCC(C(C)(C)C)CC4)C3=O)cn2c1 CC(C)(C)[*:1] Cc1ccc2nc(cn2c1)CN1C(=O)NC2(CCC(CC2)[*:1])C1=O
CC(C)Cn1cnnc1[C@@H]1CCCCC[C@H]1[NH3+] CC(C)C[*:1] [NH3+][C@@H]1CCCCC[C@H]1c1nncn1[*:1]
CC(C)Cn1cnnc1[C@@H]1CCCCC[C@H]1[NH3+] CC(C)[*:1] [NH3+][C@@H]1CCCCC[C@H]1c1nncn1C[*:1]
Cc1csc(Sc2ccc(NC(N)=O)cc2)n1 NC(=O)N[*:1] Cc1csc(n1)Sc1ccc(cc1)[*:1]
CCCCCC[C@@H](C)N1C[C@H](C(=O)[O-])CC1=O O=C([O-])[*:1] CCCCCC[C@@H](C)N1C[C@H](CC1=O)[*:1]
CCCCCC[C@@H](C)N1C[C@H](C(=O)[O-])CC1=O CCC[*:1] C[C@H](CCC[*:1])N1C[C@@H](CC1=O)C(=O)[O-]
CCCCCC[C@@H](C)N1C[C@H](C(=O)[O-])CC1=O CCCC[*:1] C[C@H](CC[*:1])N1C[C@@H](CC1=O)C(=O)[O-]
CCCCCC[C@@H](C)N1C[C@H](C(=O)[O-])CC1=O CCCCC[*:1] C[C@H](C[*:1])N1C[C@@H](CC1=O)C(=O)[O-]
Cc1oc2cc(O[C@H](C)C(=O)NC[C@H]3CCCO3)ccc2c(=O)c1Oc1ccccc1 c1ccc(cc1)O[*:1] Cc1oc2cc(ccc2c(=O)c1[*:1])O[C@H](C)C(=O)NC[C@H]1CCCO1
Cc1oc2cc(O[C@H](C)C(=O)NC[C@H]3CCCO3)ccc2c(=O)c1Oc1ccccc1 C1CO[C@H](C1)C[*:1] Cc1oc2cc(ccc2c(=O)c1Oc1ccccc1)O[C@H](C)C(=O)N[*:1]
Cc1oc2cc(O[C@H](C)C(=O)NC[C@H]3CCCO3)ccc2c(=O)c1Oc1ccccc1 c1ccc(cc1)[*:1] Cc1oc2cc(ccc2c(=O)c1O[*:1])O[C@H](C)C(=O)NC[C@H]1CCCO1
Cc1oc2cc(O[C@H](C)C(=O)NC[C@H]3CCCO3)ccc2c(=O)c1Oc1ccccc1 C1CO[C@H](C1)[*:1] Cc1oc2cc(ccc2c(=O)c1Oc1ccccc1)O[C@H](C)C(=O)NC[*:1]
O=C(c1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(Cl)cc1)[C@H]1C[C@H]1[*:1]
CCn1cc(CN2CC(=O)N(c3cccc(C)c3)C[C@@H]2C)cc1C#N Cc1cccc(c1)[*:1] CCn1cc(cc1C#N)CN1CC(=O)N(C[C@@H]1C)[*:1]
Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)nc(C)n2)n1 Cc1cc(C)n(n1)[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)C(=O)Nc1ccc(F)cc1F
Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)nc(C)n2)n1 Fc1ccc(c(F)c1)[*:1] Cc1cc(C)n(n1)-c1cc(nc(C)n1)N1CCN(CC1)C(=O)N[*:1]
C[C@@H]1C[C@H](NC(=O)NCC2(O)CCCCC2)C(=O)N1c1ccccc1 OC1(CCCCC1)C[*:1] C[C@@H]1C[C@H](NC(=O)N[*:1])C(=O)N1c1ccccc1
C[C@@H]1C[C@H](NC(=O)NCC2(O)CCCCC2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](NC(=O)NCC2(O)CCCCC2)C(=O)N1[*:1]
C[C@@H]1C[C@H](NC(=O)NCC2(O)CCCCC2)C(=O)N1c1ccccc1 OC1(CCCCC1)[*:1] C[C@@H]1C[C@H](NC(=O)NC[*:1])C(=O)N1c1ccccc1
COc1ccc(NC(=O)[C@H](Oc2cccnc2[N+](=O)[O-])c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])[C@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1
COc1ccc(NC(=O)[C@H](Oc2cccnc2[N+](=O)[O-])c2ccccc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)NC(=O)[C@H](Oc1cccnc1[*:1])c1ccccc1
COc1ccc(NC(=O)[C@H](Oc2cccnc2[N+](=O)[O-])c2ccccc2)cc1 O=[N+]([O-])c1ncccc1[*:1] COc1ccc(cc1)NC(=O)[C@H](O[*:1])c1ccccc1
COc1ccc(NC(=O)[C@H](Oc2cccnc2[N+](=O)[O-])c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)[C@H](Oc1cccnc1[N+](=O)[O-])[*:1]
Cc1nc(C)n(C[C@@H](C)C(=O)Nc2nccs2)n1 c1csc(n1)[*:1] Cc1nc(C)n(C[C@@H](C)C(=O)N[*:1])n1
CC[C@H](CO)NC(=O)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 Clc1cccc(c1)[*:1] CC[C@H](CO)NC(=O)C(=O)Nc1nnc(s1)[*:1]
N#Cc1ccc(OCC(=O)NN[C@H](C(N)=O)c2ccccc2)cc1 NC(=O)[*:1] N#Cc1ccc(cc1)OCC(=O)NN[C@H](c1ccccc1)[*:1]
N#Cc1ccc(OCC(=O)NN[C@H](C(N)=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)OCC(=O)NN[C@H](C(N)=O)[*:1]
N#Cc1ccc(OCC(=O)NN[C@H](C(N)=O)c2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] NC(=O)[C@@H](NNC(=O)CO[*:1])c1ccccc1
C[C@H]1OCC[C@H]1[NH2+]C[C@H](O)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H]1OCC[C@H]1[NH2+]C[C@H](O)c1cccc(c1)[*:1]
C[C@H]1OCC[C@H]1[NH2+]C[C@H](O)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H]1OCC[C@H]1[NH2+]C[C@H](O)c1cccc(c1)O[*:1]
O=C([C@@H]1COc2ccccc2C1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C([C@@H]1COc2ccccc2C1)N(C1CC1)[*:1]
O=C([C@@H]1COc2ccccc2C1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C([C@@H]1COc2ccccc2C1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCc1cccs1 c1csc(c1)[*:1] O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NC[*:1]
O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCc1cccs1 c1csc(c1)C[*:1] O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[*:1]
C[C@@H]1C[C@H]1C(=O)NC[C@H](C(=O)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H]1C(=O)NC[C@H](C(=O)N1CCOCC1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNCc1c(F)cccc1F Fc1cccc(F)c1[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNCc1c(F)cccc1F c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNCc1c(F)cccc1F)[*:1]
CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1CC[C@@H](C)C2 CC(C)C[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2C[C@H](C)CCc21
CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1CC[C@@H](C)C2 CC(C)CC(=O)N[*:1] CCOC(=O)c1c(sc2C[C@H](C)CCc21)[*:1]
CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1CC[C@@H](C)C2 CC(C)[*:1] CCOC(=O)c1c(NC(=O)C[*:1])sc2C[C@H](C)CCc21
CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1CC[C@@H](C)C2 CCOC(=O)[*:1] CC(C)CC(=O)Nc1sc2C[C@H](C)CCc2c1[*:1]
O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cccc([N+](=O)[O-])c1 O=C1CNC(=O)N1C[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cccc([N+](=O)[O-])c1 O=C1CNC(=O)N1[*:1] O=C(Nc1cccc(c1)C[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1cccc(c1)CN1C(=O)CNC1=O)c1cccc(c1)[*:1]
COCCCN1C[C@@]2(CCCN(C(=O)c3ccc[nH]3)C2)CCC1=O COC[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)c2ccc[nH]2)CN1CC[*:1]
COCCCN1C[C@@]2(CCCN(C(=O)c3ccc[nH]3)C2)CCC1=O c1c[nH]c(c1)[*:1] COCCCN1C[C@@]2(CCCN(C2)C(=O)[*:1])CCC1=O
COCCCN1C[C@@]2(CCCN(C(=O)c3ccc[nH]3)C2)CCC1=O COCC[*:1] O=C1CC[C@]2(CCCN(C2)C(=O)c2ccc[nH]2)CN1C[*:1]
COCCCN1C[C@@]2(CCCN(C(=O)c3ccc[nH]3)C2)CCC1=O COCCC[*:1] O=C(c1ccc[nH]1)N1CCC[C@]2(CCC(=O)N(C2)[*:1])C1
O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCCn1nc(-c2cccs2)ccc1=O c1csc(c1)[*:1] O=C(Cc1csc2nc(cn12)-c1ccc(F)cc1)NCCn1nc(ccc1=O)[*:1]
O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCCn1nc(-c2cccs2)ccc1=O Fc1ccc(cc1)[*:1] O=C(Cc1csc2nc(cn12)[*:1])NCCn1nc(ccc1=O)-c1cccs1
Cc1ccc(C)c(CC(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)c1 Cn1ncc(cc1=O)[*:1] Cc1ccc(C)c(c1)CC(=O)NCC1CCN(CC1)[*:1]
Cc1ccc(C)c(CC(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cn1ncc(cc1=O)N1CCC(CC1)CNC(=O)C[*:1]
Cc1ccc(C)c(CC(=O)NCC2CCN(c3cnn(C)c(=O)c3)CC2)c1 Cc1ccc(C)c(c1)C[*:1] Cn1ncc(cc1=O)N1CCC(CC1)CNC(=O)[*:1]
COc1ccc(/C=C/C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1F COc1ccc(cc1F)[*:1] C[NH+]1CCN(CC1)[C@@H]1CCCCN(C1)C(=O)C=C[*:1]
CC1(C(=O)N2CC(CC(=O)[O-])C2)CCCC1 O=C([O-])[*:1] CC1(CCCC1)C(=O)N1CC(C1)C[*:1]
CC1(C(=O)N2CC(CC(=O)[O-])C2)CCCC1 O=C([O-])C[*:1] CC1(CCCC1)C(=O)N1CC(C1)[*:1]
Cc1cc(NCc2ccc(C(=O)[O-])o2)ccc1Br O=C([O-])[*:1] Cc1cc(ccc1Br)NCc1ccc(o1)[*:1]
CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 C1CCC(C1)[*:1] CCCC(=O)N[C@H]1CCCN(C1)C(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 CCCC(=O)N[*:1] O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)N1CCC[C@@H](C1)[*:1]
CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 CCC[*:1] O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)N1CCC[C@@H](C1)NC(=O)[*:1]
CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)C1 C1CCC(C1)O[*:1] CCCC(=O)N[C@H]1CCCN(C1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
CCCSC[C@@H]([NH3+])Cc1nc(C)cs1 CCCS[*:1] Cc1csc(C[C@H]([NH3+])C[*:1])n1
CCCSC[C@@H]([NH3+])Cc1nc(C)cs1 CCC[*:1] Cc1csc(C[C@H]([NH3+])CS[*:1])n1
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1cnn(C)c1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)Nc1cnn(C)c1)C(C)(C)[*:1]
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1nc(sc1C(=O)N[*:1])C(C)(C)c1ccccc1
Cc1occc1C(=O)NCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] Cc1occc1C(=O)NCC(=O)N1CC[C@@H](C1)O[*:1]
Cc1occc1C(=O)NCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 Cc1occc1[*:1] O=C(CNC(=O)[*:1])N1CC[C@@H](C1)Oc1cccc(Cl)c1
Cc1occc1C(=O)NCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)O[*:1] Cc1occc1C(=O)NCC(=O)N1CC[C@H](C1)[*:1]
CC(=O)Nc1cc(NC(=O)N(CCO)C2CC2)ccc1F OCC[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)N(C1CC1)[*:1]
CC(=O)Nc1cc(NC(=O)N(CCO)C2CC2)ccc1F CC(=O)N[*:1] O=C(Nc1ccc(F)c(c1)[*:1])N(CCO)C1CC1
CC(=O)Nc1cc(NC(=O)N(CCO)C2CC2)ccc1F C1CC1[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)N(CCO)[*:1]
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1cccs1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(NCc1cccs1)[C@H]1CCCc2sc(nc21)[*:1]
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1cccs1)c1ccccc1 c1csc(c1)C[*:1] O=C(Nc1nc2c(CCC[C@@H]2C(=O)N[*:1])s1)c1ccccc1
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1cccs1)c1ccccc1 O=C(NCc1cccs1)[*:1] O=C(Nc1nc2c(CCC[C@H]2[*:1])s1)c1ccccc1
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1cccs1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1cccs1)[C@H]1CCCc2sc(nc21)NC(=O)[*:1]
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1cccs1)c1ccccc1 c1csc(c1)[*:1] O=C(Nc1nc2c(CCC[C@@H]2C(=O)NC[*:1])s1)c1ccccc1
COC(=O)[C@H]1CCCCN1C(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] COC(=O)[C@H]1CCCCN1C(=O)c1n[nH]c(n1)[*:1]
COC(=O)[C@H]1CCCCN1C(=O)c1n[nH]c(C2CC2)n1 COC(=O)[*:1] O=C(c1n[nH]c(n1)C1CC1)N1CCCC[C@@H]1[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCCc2cccnc2)C1 c1cncc(c1)[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NCC[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCCc2cccnc2)C1 c1cncc(c1)C[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)NC[*:1]
CC(C)c1c(N)nc(-c2cc(F)cc(Br)c2)[nH]c1=O CC(C)[*:1] Nc1nc([nH]c(=O)c1[*:1])-c1cc(F)cc(Br)c1
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)/C=C/C(C)(C)C CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)C=C[*:1])C(=O)N1CCOCC1
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)/C=C/C(C)(C)C CC(C)(C)C=C[*:1] Cc1ccc(cc1NC(=O)[*:1])C(=O)N1CCOCC1
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)/C=C/C(C)(C)C O=C(N1CCOCC1)[*:1] Cc1ccc(cc1NC(=O)/C=C/C(C)(C)C)[*:1]
COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(C)C CC(C)[*:1] COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[*:1]
COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(C)C Fc1ccc(cc1)[*:1] COC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]1[*:1])C(C)C
COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(C)C COC(=O)[*:1] CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[*:1]
CCOc1cc(Br)c(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC Fc1ccc(cc1)[*:1] CCOc1cc(Br)c(/C=C2\SC(=O)N(C[*:1])C2=O)cc1OCC
CCOc1cc(Br)c(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC CCO[*:1] CCOc1cc(Br)c(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1[*:1]
CCOc1cc(Br)c(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC CCO[*:1] CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1[*:1]
CCOc1cc(Br)c(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC Fc1ccc(cc1)C[*:1] CCOc1cc(Br)c(/C=C2\SC(=O)N(C2=O)[*:1])cc1OCC
COc1ccc(Cl)cc1N/C(=N\C(=O)c1ccc(Cl)cc1)[N-]Cc1ccncc1 c1cc(ccn1)[*:1] COc1ccc(Cl)cc1N/C(=N\C(=O)c1ccc(Cl)cc1)[N-]C[*:1]
COc1ccc(Cl)cc1N/C(=N\C(=O)c1ccc(Cl)cc1)[N-]Cc1ccncc1 Clc1ccc(cc1)[*:1] COc1ccc(Cl)cc1N/C(=N\C(=O)[*:1])[N-]Cc1ccncc1
COc1ccc(Cl)cc1N/C(=N\C(=O)c1ccc(Cl)cc1)[N-]Cc1ccncc1 COc1ccc(Cl)cc1[*:1] O=C(/N=C(/[N-]Cc1ccncc1)N[*:1])c1ccc(Cl)cc1
Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nc3ccccc3c2=O)c(C)c1 O=C(C[*:1])N1CCCCC1 Cc1ccc(c(C)c1)-n1c(nc2ccccc2c1=O)S[*:1]
Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nc3ccccc3c2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])N1CCCCC1
Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nc3ccccc3c2=O)c(C)c1 O=C(N1CCCCC1)[*:1] Cc1ccc(c(C)c1)-n1c(nc2ccccc2c1=O)SC[*:1]
Cc1cc(C)c(C[NH2+]CCc2ccccn2)cc1C c1ccc(nc1)[*:1] Cc1cc(C)c(cc1C)C[NH2+]CC[*:1]
C[C@@H](OC1CCCCCC1)C(=O)N1CCCC[C@H]1CC(N)=O C1CCCC(CC1)[*:1] C[C@@H](O[*:1])C(=O)N1CCCC[C@H]1CC(N)=O
C[C@@H](OC1CCCCCC1)C(=O)N1CCCC[C@H]1CC(N)=O NC(=O)[*:1] C[C@@H](OC1CCCCCC1)C(=O)N1CCCC[C@H]1C[*:1]
C[C@@H](OC1CCCCCC1)C(=O)N1CCCC[C@H]1CC(N)=O NC(=O)C[*:1] C[C@@H](OC1CCCCCC1)C(=O)N1CCCC[C@@H]1[*:1]
CC(C)(O)C#Cc1ccc(-c2nccn2-c2cccc(-n3cncn3)c2)cc1 CC(C)(O)C#C[*:1] c1cc(cc(c1)-n1ccnc1-c1ccc(cc1)[*:1])-n1cncn1
CC(C)(O)C#Cc1ccc(-c2nccn2-c2cccc(-n3cncn3)c2)cc1 c1ncn(n1)[*:1] CC(C)(O)C#Cc1ccc(cc1)-c1nccn1-c1cccc(c1)[*:1]
CC(C)(O)C#Cc1ccc(-c2nccn2-c2cccc(-n3cncn3)c2)cc1 CC(C)(O)[*:1] C(#C[*:1])c1ccc(cc1)-c1nccn1-c1cccc(c1)-n1cncn1
COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Oc2ncn3nc(-c4ccco4)nc3c21 c1coc(c1)[*:1] COc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC=2Oc2ncn3nc(nc3c21)[*:1]
COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Oc2ncn3nc(-c4ccco4)nc3c21 COc1ccccc1[*:1] CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(nc3c1[C@H]2[*:1])-c1ccco1
CCc1nn(C)c(Cl)c1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 FC(F)(F)[*:1] CCc1nn(C)c(Cl)c1CN1CCC[C@H](C1)c1nc(cs1)[*:1]
O=C(/C=C/c1ccco1)NNC(=O)CCCc1ccccc1 C(=C[*:1])c1ccco1 O=C(CCCc1ccccc1)NNC(=O)[*:1]
O=C(/C=C/c1ccco1)NNC(=O)CCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(/C=C/c1ccco1)NNC(=O)CC[*:1]
O=C(/C=C/c1ccco1)NNC(=O)CCCc1ccccc1 c1coc(c1)[*:1] O=C(C=C[*:1])NNC(=O)CCCc1ccccc1
O=C(/C=C/c1ccco1)NNC(=O)CCCc1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccco1)NNC(=O)CCC[*:1]
CCOCc1ccccc1NC(=O)N[C@H](C)c1ncc(C)s1 CCOC[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)Nc1ccccc1[*:1]
CCOCc1ccccc1NC(=O)N[C@H](C)c1ncc(C)s1 Cc1cnc(s1)[*:1] CCOCc1ccccc1NC(=O)N[C@H](C)[*:1]
CCOCc1ccccc1NC(=O)N[C@H](C)c1ncc(C)s1 CCO[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)Nc1ccccc1C[*:1]
COc1ccc(Cl)cc1C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] COc1ccc(Cl)cc1C(=O)NC[C@@H]1CCCN(C1)[*:1]
Cc1nn2cc(C(=O)N[C@@H](C(=O)NCc3cccs3)c3ccccc3)nc2s1 c1ccc(cc1)[*:1] Cc1nn2cc(nc2s1)C(=O)N[C@@H](C(=O)NCc1cccs1)[*:1]
Cc1nn2cc(C(=O)N[C@@H](C(=O)NCc3cccs3)c3ccccc3)nc2s1 O=C(NCc1cccs1)[*:1] Cc1nn2cc(nc2s1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1nn2cc(C(=O)N[C@@H](C(=O)NCc3cccs3)c3ccccc3)nc2s1 c1csc(c1)[*:1] Cc1nn2cc(nc2s1)C(=O)N[C@@H](C(=O)NC[*:1])c1ccccc1
Cc1nn2cc(C(=O)N[C@@H](C(=O)NCc3cccs3)c3ccccc3)nc2s1 c1csc(c1)C[*:1] Cc1nn2cc(nc2s1)C(=O)N[C@@H](C(=O)N[*:1])c1ccccc1
O=C(Nc1nc2ccccc2s1)c1ccc(NC(=O)C2CCCCC2)cc1 c1ccc2sc(nc2c1)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)C1CCCCC1
O=C(Nc1nc2ccccc2s1)c1ccc(NC(=O)C2CCCCC2)cc1 C1CCC(CC1)[*:1] O=C(Nc1nc2ccccc2s1)c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1nc2ccccc2s1)c1ccc(NC(=O)C2CCCCC2)cc1 O=C(N[*:1])C1CCCCC1 O=C(Nc1nc2ccccc2s1)c1ccc(cc1)[*:1]
CCOc1ccc(NC(=O)CCCc2nc(C)no2)cc1 Cc1noc(C[*:1])n1 CCOc1ccc(cc1)NC(=O)CC[*:1]
CCOc1ccc(NC(=O)CCCc2nc(C)no2)cc1 Cc1noc(n1)[*:1] CCOc1ccc(cc1)NC(=O)CCC[*:1]
CCOc1ccc(NC(=O)CCCc2nc(C)no2)cc1 CCO[*:1] Cc1noc(CCCC(=O)Nc2ccc(cc2)[*:1])n1
CCN(C(=O)c1cc(-c2ccc(C)cc2)no1)c1cccnc1 Cc1ccc(cc1)[*:1] CCN(C(=O)c1cc(no1)[*:1])c1cccnc1
CCN(C(=O)c1cc(-c2ccc(C)cc2)no1)c1cccnc1 c1cncc(c1)[*:1] CCN(C(=O)c1cc(no1)-c1ccc(C)cc1)[*:1]
O=C(Cn1ccc2ccccc21)N1CC[C@@]2(CCCN(CCO)C2=O)C1 OCC[*:1] O=C(Cn1ccc2ccccc21)N1CC[C@@]2(CCCN(C2=O)[*:1])C1
C[C@H](Cn1cccn1)[NH2+]Cc1nnc(-c2ccco2)o1 c1cnn(c1)C[*:1] C[C@H]([NH2+]Cc1nnc(o1)-c1ccco1)[*:1]
C[C@H](Cn1cccn1)[NH2+]Cc1nnc(-c2ccco2)o1 c1cnn(c1)[*:1] C[C@H](C[*:1])[NH2+]Cc1nnc(o1)-c1ccco1
C[C@H](Cn1cccn1)[NH2+]Cc1nnc(-c2ccco2)o1 c1coc(c1)[*:1] C[C@H](Cn1cccn1)[NH2+]Cc1nnc(o1)[*:1]
C[C@H]1CN(c2ccc(C(=O)NCC3(c4ccncc4)CC3)cn2)C[C@@H](C)O1 c1cc(ccn1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(cn1)C(=O)NCC1(CC1)[*:1]
C[C@H]1CN(c2ccc(C(=O)NCC3(c4ccncc4)CC3)cn2)C[C@@H](C)O1 c1cc(ccn1)C1(CC1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(cn1)C(=O)NC[*:1]
O=C(/C=C/c1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(/C=C/c1cccc(F)c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(/C=C/c1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 Fc1cccc(c1)[*:1] O=C(C=C[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
O=C(/C=C/c1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 Fc1cccc(C=C[*:1])c1 O=C(N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
O=C(/C=C/c1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(F)c1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
COc1ccc(OC)c2c1CN(C(=O)NCC1CCCCCCC1)C[C@@H]2O C1CCCC(CCC1)[*:1] COc1ccc(OC)c2c1CN(C[C@@H]2O)C(=O)NC[*:1]
COc1ccc(OC)c2c1CN(C(=O)NCC1CCCCCCC1)C[C@@H]2O C1CCCC(CCC1)C[*:1] COc1ccc(OC)c2c1CN(C[C@@H]2O)C(=O)N[*:1]
O=C(NC[C@]1(O)CCSC1)[C@@H]1C[C@H]1c1ccco1 O[C@@]1(CCSC1)[*:1] O=C(NC[*:1])[C@@H]1C[C@H]1c1ccco1
O=C(NC[C@]1(O)CCSC1)[C@@H]1C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(NC[C@]1(O)CCSC1)[C@@H]1C[C@@H]1[*:1]
CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 CSc1ccccc1[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 CC(C)N(C)S(=O)(=O)[*:1] CSc1ccccc1NC(=O)c1ccc(cc1)[*:1]
CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 CC(C)[*:1] CSc1ccccc1NC(=O)c1ccc(cc1)S(=O)(=O)N(C)[*:1]
O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)NCc1cccc(F)c1 Fc1cccc(c1)C[*:1] O=C(COc1coc(cc1=O)C[NH+]1CCCCCC1)N[*:1]
O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)NCc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(COc1coc(cc1=O)C[NH+]1CCCCCC1)NC[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCCCOC1CCOCC1 C1CC(CCO1)O[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCCC[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCCCOC1CCOCC1 C1CC(CCO1)OC[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCC[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCCCOC1CCOCC1 C1CC(CCO1)[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCCCO[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCCCOC1CCOCC1 CC(C)[*:1] C[C@@H]1CC[C@@H]([C@@H](C1)NC(=O)NCCCOC1CCOCC1)[*:1]
Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)cc1S(N)(=O)=O C1CC(C1)[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)N(Cc1ccccc1)C[*:1]
Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)cc1S(N)(=O)=O c1ccc(cc1)C[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)N(CC1CCC1)[*:1]
Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)cc1S(N)(=O)=O c1ccc(cc1)[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)N(CC1CCC1)C[*:1]
Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)N(Cc1ccccc1)CC1CCC1
Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)cc1S(N)(=O)=O C1CC(C1)C[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)N(Cc1ccccc1)[*:1]
CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2OC)cc1 CCNS(=O)(=O)[*:1] COc1ccc(F)cc1NC(=O)c1ccc(cc1)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[C@H]1CCCC[C@@H]1C c1cncc(c1)O[*:1] Cc1nn(C)c(c1C[NH2+]C[C@H]1CCCC[C@@H]1C)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[C@H]1CCCC[C@@H]1C c1cncc(c1)[*:1] Cc1nn(C)c(O[*:1])c1C[NH2+]C[C@H]1CCCC[C@@H]1C
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)[C@H]1CCO[C@H]1C CC(C)(C)OC(=O)N[*:1] Cc1ccc(cc1NC(=O)[C@H]1CCO[C@H]1C)[*:1]
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)[C@H]1CCO[C@H]1C CC(C)(C)[*:1] Cc1ccc(cc1NC(=O)[C@H]1CCO[C@H]1C)NC(=O)O[*:1]
Cc1cc(NC[C@H]2CCCO2)n2nc(-c3cccs3)cc2n1 C1CO[C@H](C1)C[*:1] Cc1cc(N[*:1])n2nc(cc2n1)-c1cccs1
Cc1cc(NC[C@H]2CCCO2)n2nc(-c3cccs3)cc2n1 C1CO[C@H](C1)[*:1] Cc1cc(NC[*:1])n2nc(cc2n1)-c1cccs1
Cc1cc(NC[C@H]2CCCO2)n2nc(-c3cccs3)cc2n1 c1csc(c1)[*:1] Cc1cc(NC[C@H]2CCCO2)n2nc(cc2n1)[*:1]
Cc1cc(NC[C@H]2CCCO2)n2nc(-c3cccs3)cc2n1 C1CO[C@H](C1)CN[*:1] Cc1cc(n2nc(cc2n1)-c1cccs1)[*:1]
Cc1nc(CNS(=O)(=O)c2cc(F)cc(F)c2)cs1 Cc1nc(cs1)[*:1] O=S(=O)(NC[*:1])c1cc(F)cc(F)c1
N#Cc1ccc(C(=O)Nc2ccn(-c3ncccc3Cl)n2)nc1 Clc1cccnc1[*:1] N#Cc1ccc(nc1)C(=O)Nc1ccn(n1)[*:1]
O=C([O-])c1cc(-c2ccsc2)nc2ccccc12 O=C([O-])[*:1] c1ccc2c(cc(nc2c1)-c1ccsc1)[*:1]
O=C([O-])c1cc(-c2ccsc2)nc2ccccc12 c1cc(cs1)[*:1] O=C([O-])c1cc(nc2ccccc12)[*:1]
CCCCCCn1c([O-])c(C(=O)Nc2ccccc2Br)c(=O)c2ccccc21 CCCCCC[*:1] O=C(Nc1ccccc1Br)c1c([O-])n(c2ccccc2c1=O)[*:1]
CCCCCCn1c([O-])c(C(=O)Nc2ccccc2Br)c(=O)c2ccccc21 Brc1ccccc1[*:1] CCCCCCn1c([O-])c(C(=O)N[*:1])c(=O)c2ccccc21
CCCCCCn1c([O-])c(C(=O)Nc2ccccc2Br)c(=O)c2ccccc21 CCC[*:1] O=C(Nc1ccccc1Br)c1c([O-])n(CCC[*:1])c2ccccc2c1=O
CCCCCCn1c([O-])c(C(=O)Nc2ccccc2Br)c(=O)c2ccccc21 CCCC[*:1] O=C(Nc1ccccc1Br)c1c([O-])n(CC[*:1])c2ccccc2c1=O
CCCCCCn1c([O-])c(C(=O)Nc2ccccc2Br)c(=O)c2ccccc21 CCCCC[*:1] O=C(Nc1ccccc1Br)c1c([O-])n(C[*:1])c2ccccc2c1=O
CCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Cl)C1=O CCC[*:1] Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])c(Cl)c1
C[C@H]1CCc2nc(/C(C#N)=C\c3ccc(Cl)cc3)sc2C1 Clc1ccc(cc1)[*:1] C[C@H]1CCc2nc(sc2C1)C(C#N)=C[*:1]
CC(C)Oc1ncc(C(=O)N2CCC[C@H]([C@H](C)O)C2)cc1Cl CC(C)O[*:1] C[C@H](O)[C@H]1CCCN(C1)C(=O)c1cnc(c(Cl)c1)[*:1]
CC(C)Oc1ncc(C(=O)N2CCC[C@H]([C@H](C)O)C2)cc1Cl CC(C)[*:1] C[C@H](O)[C@H]1CCCN(C1)C(=O)c1cnc(O[*:1])c(Cl)c1
CC(C)Oc1ncc(C(=O)N2CCC[C@H]([C@H](C)O)C2)cc1Cl C[C@H](O)[*:1] CC(C)Oc1ncc(cc1Cl)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccccc1-n1cc(C(=O)Cl)cn1 O=C(Cl)[*:1] Cc1ccccc1-n1cc(cn1)[*:1]
C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2/C=N/n2cnnc2)[C@H](C)C1 O=[N+]([O-])[*:1] C[C@H]1CCN(c2ccc(cc2/C=N/n2cnnc2)[*:1])[C@H](C)C1
C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2/C=N/n2cnnc2)[C@H](C)C1 C(=Nn1cnnc1)[*:1] C[C@H]1CCN(c2ccc(cc2[*:1])[N+](=O)[O-])[C@H](C)C1
N#Cc1c(NC(=O)CS(=O)(=O)c2ccccc2)sc2c1CCN(Cc1ccccc1)C2 O=S(=O)(C[*:1])c1ccccc1 N#Cc1c(NC(=O)[*:1])sc2CN(CCc21)Cc1ccccc1
N#Cc1c(NC(=O)CS(=O)(=O)c2ccccc2)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] N#Cc1c(NC(=O)CS(=O)(=O)c2ccccc2)sc2CN(CCc21)C[*:1]
N#Cc1c(NC(=O)CS(=O)(=O)c2ccccc2)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)[*:1] N#Cc1c(NC(=O)CS(=O)(=O)[*:1])sc2CN(CCc21)Cc1ccccc1
N#Cc1c(NC(=O)CS(=O)(=O)c2ccccc2)sc2c1CCN(Cc1ccccc1)C2 c1ccc(cc1)C[*:1] N#Cc1c(NC(=O)CS(=O)(=O)c2ccccc2)sc2CN(CCc21)[*:1]
N#Cc1c(NC(=O)CS(=O)(=O)c2ccccc2)sc2c1CCN(Cc1ccccc1)C2 O=S(=O)(c1ccccc1)[*:1] N#Cc1c(NC(=O)C[*:1])sc2CN(CCc21)Cc1ccccc1
COc1ccccc1[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccccn1 c1ccc2O[C@@H](Cc2c1)[*:1] COc1ccccc1[C@@H](NC(=O)[*:1])c1ccccn1
COc1ccccc1[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccccn1 COc1ccccc1[*:1] O=C(N[C@@H](c1ccccn1)[*:1])[C@@H]1Cc2ccccc2O1
COc1ccccc1[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)[*:1]
Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CNS(C)(=O)=O)C2 CS(=O)(=O)NC[*:1] Cc1cn2C[C@@H](CCc2[nH+]1)NC(=O)[*:1]
Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CNS(C)(=O)=O)C2 CS(=O)(=O)N[*:1] Cc1cn2C[C@@H](CCc2[nH+]1)NC(=O)C[*:1]
O=C(CN1CCCc2ccccc21)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CCCc2ccccc21)NC[*:1]
O=C(CN1CCCc2ccccc21)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCCc2ccccc21)NCC[*:1]
Cc1ccc([C@H](C)OC(=O)c2cc(C)n(C)n2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@H](C)OC(=O)c1cc(C)n(C)n1
Cc1ccc([C@H](C)OC(=O)c2cc(C)n(C)n2)cc1[N+](=O)[O-] Cc1cc(nn1C)[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)OC(=O)[*:1]
Cc1cc(C)nc(SCC(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 c1csc(c1)[*:1] Cc1cc(C)nc(n1)SCC(=O)NC[C@H]([NH+](C)C)[*:1]
COc1ccccc1NC(=O)C[NH+](C)Cc1cccs1 c1csc(c1)C[*:1] COc1ccccc1NC(=O)C[NH+](C)[*:1]
COc1ccccc1NC(=O)C[NH+](C)Cc1cccs1 c1csc(c1)[*:1] COc1ccccc1NC(=O)C[NH+](C)C[*:1]
CC(C)(C)c1ccc(N2CCC(NC(=O)C=C3CCSCC3)CC2)cc1 CC(C)(C)[*:1] O=C(C=C1CCSCC1)NC1CCN(CC1)c1ccc(cc1)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H]1CCS(=O)(=O)C1 C[C@H]1C[C@@H]1[*:1] CC(C)N(C[*:1])C(=O)N[C@@H]1CCS(=O)(=O)C1
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H]1CCS(=O)(=O)C1 C[C@H]1C[C@@H]1C[*:1] CC(C)N(C(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)N(C[C@H]1C[C@@H]1C)C(=O)N[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] C[C@H]1C[C@@H]1CN(C(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
O=S(=O)([N-]c1cccc2nc[nH]c12)c1cccnc1 c1cncc(c1)[*:1] O=S(=O)([N-]c1cccc2nc[nH]c12)[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c1C1CC1 CC[C@@H](C)[*:1] CC(C)C(=O)NC[C@H]1CCCN(C1)C(=O)c1cnn(c1C1CC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c1C1CC1 CC(C)C(=O)N[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC[C@@H](C2)C[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c1C1CC1 CC(C)[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](CNC(=O)[*:1])C2)c1C1CC1
CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c1C1CC1 CC(C)C(=O)NC[*:1] CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](C2)[*:1])c1C1CC1
CCOC(=O)Nc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Br)cc1 Brc1ccccc1[*:1] CCOC(=O)Nc1ccc(cc1)C(=O)N(C)CC(=O)N[*:1]
CCOC(=O)Nc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Br)cc1 CCOC(=O)N[*:1] CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(cc1)[*:1]
CCc1nn(C)cc1CNC(=O)NCCc1ccc(Br)o1 Brc1ccc(C[*:1])o1 CCc1nn(C)cc1CNC(=O)NC[*:1]
CCc1nn(C)cc1CNC(=O)NCCc1ccc(Br)o1 Brc1ccc(o1)[*:1] CCc1nn(C)cc1CNC(=O)NCC[*:1]
COc1cccc(N2C[C@@H](C(=O)NC[C@](C)(O)C3CC3)CC2=O)c1 C1CC1[*:1] COc1cccc(c1)N1C[C@H](CC1=O)C(=O)NC[C@](C)(O)[*:1]
COc1cccc(N2C[C@@H](C(=O)NC[C@](C)(O)C3CC3)CC2=O)c1 COc1cccc(c1)[*:1] C[C@](O)(CNC(=O)[C@H]1CC(=O)N(C1)[*:1])C1CC1
CC(C)COC(=O)N1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 CC(C)C[*:1] O=C(O[*:1])N1CCCN(CC1)C(=O)c1csc(n1)-c1ccc(Cl)cc1
CC(C)COC(=O)N1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 Clc1ccc(cc1)[*:1] CC(C)COC(=O)N1CCCN(CC1)C(=O)c1csc(n1)[*:1]
CC(C)COC(=O)N1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 CC(C)[*:1] O=C(OC[*:1])N1CCCN(CC1)C(=O)c1csc(n1)-c1ccc(Cl)cc1
CCn1ncc2c(C(=O)Nc3ccc(F)cc3)cc(-c3ccccc3)nc21 Fc1ccc(cc1)[*:1] CCn1ncc2c(cc(nc21)-c1ccccc1)C(=O)N[*:1]
CCn1ncc2c(C(=O)Nc3ccc(F)cc3)cc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)Nc1ccc(F)cc1
O=C(Nc1nncs1)N[C@@H]1CCCOc2c1ccc1ccccc21 c1nnc(s1)[*:1] O=C(N[C@@H]1CCCOc2c1ccc1ccccc21)N[*:1]
CC[C@@H](NC(=O)CCCCO)c1cccs1 OCCC[*:1] CC[C@@H](NC(=O)C[*:1])c1cccs1
CC[C@@H](NC(=O)CCCCO)c1cccs1 OCC[*:1] CC[C@@H](NC(=O)CC[*:1])c1cccs1
CC[C@@H](NC(=O)CCCCO)c1cccs1 OCCCC[*:1] CC[C@@H](NC(=O)[*:1])c1cccs1
CC[C@@H](NC(=O)CCCCO)c1cccs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)CCCCO)[*:1]
CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 CC(C)CS(=O)(=O)[*:1] CC(C)c1ccc(cc1)[C@H]1CCCN1C(=O)CC[*:1]
CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 CC(C)CS(=O)(=O)C[*:1] CC(C)c1ccc(cc1)[C@H]1CCCN1C(=O)C[*:1]
CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 CC(C)[*:1] CC(C)c1ccc(cc1)[C@H]1CCCN1C(=O)CCS(=O)(=O)C[*:1]
CC(C)CS(=O)(=O)CCC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 CC(C)C[*:1] CC(C)c1ccc(cc1)[C@H]1CCCN1C(=O)CCS(=O)(=O)[*:1]
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[*:1]
Cc1ccccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C Cc1ccccc1[*:1] Cc1c(sc2nc(cn12)-c1ccc(F)cc1)C(=O)N[*:1]
Cc1ccccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C Fc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)c1sc2nc(cn2c1C)[*:1]
COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 COC(=O)[*:1] O=S(=O)(c1cc(ccc1Br)[*:1])N1CCCCC1
Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)nc12 C1CO[C@H](C1)C[*:1] Cc1ccc(C)c2sc(nc12)N(C(=O)[C@H]1CCCCN1S(C)(=O)=O)[*:1]
Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)nc12 CS(=O)(=O)N1CCCC[C@@H]1[*:1] Cc1ccc(C)c2sc(nc12)N(C[C@H]1CCCO1)C(=O)[*:1]
Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)nc12 C1CO[C@H](C1)[*:1] Cc1ccc(C)c2sc(nc12)N(C[*:1])C(=O)[C@H]1CCCCN1S(C)(=O)=O
Cc1cccc(C(=O)N[C@@H](C)C(=O)N(C)CC(=O)NC(C)C)c1 CC(C)NC(=O)C[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)C(=O)N(C)[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)N(C)CC(=O)NC(C)C)c1 CC(C)NC(=O)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)C(=O)N(C)C[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)N(C)CC(=O)NC(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)N(C)CC(=O)NC(C)C)c1 Cc1cccc(c1)[*:1] CC(C)NC(=O)CN(C)C(=O)[C@H](C)NC(=O)[*:1]
C[C@@H](SCCn1c(=O)oc2cccnc21)C(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](SCCn1c(=O)oc2cccnc21)C(=O)N(C)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])Nc1ccc(Br)cc1
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])NN2CCC(C)(C)CC2)cc1 Cc1ccc(cc1)[*:1] CC1(C)CCN(CC1)N/C([O-])=N/S(=O)(=O)[*:1]
CC(C)c1nnc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)s1 CC(C)[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(s1)[*:1]
COC(=O)[C@H]1CN(C(=O)c2ccc(O)cc2O)C[C@@H]1C COC(=O)[*:1] C[C@H]1CN(C[C@@H]1[*:1])C(=O)c1ccc(O)cc1O
COc1c2c(cc3c1[C@@H](CC(=O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)[N+](C)(C)CC3)OCO2 CC(C)(C)[*:1] COc1c2OCOc2cc2CC[N+](C)(C)[C@H](CC(=O)c3cc(cc4c3CCC4(C)C)[*:1])c21
COC(=O)[C@H]1CCCC[C@H]1NC(=O)CCc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COC(=O)[C@H]1CCCC[C@H]1NC(=O)CC[*:1]
COC(=O)[C@H]1CCCC[C@H]1NC(=O)CCc1ccc(Br)cc1 COC(=O)[*:1] O=C(CCc1ccc(Br)cc1)N[C@@H]1CCCC[C@@H]1[*:1]
O=C([O-])C[C@H](c1ccc(C2CC2)cc1)N1CCOCC1 O=C([O-])[*:1] c1cc(ccc1C1CC1)[C@@H](C[*:1])N1CCOCC1
O=C([O-])C[C@H](c1ccc(C2CC2)cc1)N1CCOCC1 C1CC1[*:1] O=C([O-])C[C@H](c1ccc(cc1)[*:1])N1CCOCC1
O=C([O-])C[C@H](c1ccc(C2CC2)cc1)N1CCOCC1 O=C([O-])C[*:1] c1cc(ccc1C1CC1)[C@H](N1CCOCC1)[*:1]
O=C([O-])C[C@H](c1ccc(C2CC2)cc1)N1CCOCC1 C1CN(CCO1)[*:1] O=C([O-])C[C@H](c1ccc(cc1)C1CC1)[*:1]
Cc1cc(C[C@H](C)N[C@H]2CCOc3ccc(F)cc32)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@H](N[C@H]1CCOc2ccc(F)cc21)[*:1]
Cc1cc(C[C@H](C)N[C@H]2CCOc3ccc(F)cc32)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@@H](C[*:1])N[C@H]1CCOc2ccc(F)cc21
CCCn1c([O-])c(C(=O)NC[C@H]2CCCO2)c(=O)c2ccccc21 CCC[*:1] O=C(NC[C@H]1CCCO1)c1c([O-])n(c2ccccc2c1=O)[*:1]
CCCn1c([O-])c(C(=O)NC[C@H]2CCCO2)c(=O)c2ccccc21 C1CO[C@H](C1)[*:1] CCCn1c([O-])c(C(=O)NC[*:1])c(=O)c2ccccc21
CCCn1c([O-])c(C(=O)NC[C@H]2CCCO2)c(=O)c2ccccc21 C1CO[C@H](C1)C[*:1] CCCn1c([O-])c(C(=O)N[*:1])c(=O)c2ccccc21
C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)[*:1]
C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1ccccn1 CC(C)(C)[*:1] C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)C[*:1])c1ccccn1
C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C)c1ccccn1 CC(C)(C)C[*:1] C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)[*:1])c1ccccn1
C[C@H](NC(=O)Nc1cncc2ccccc12)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] C[C@H](NC(=O)Nc1cncc2ccccc12)c1ccc(cc1)[*:1]
Cc1csc(COc2c(C)cc(C[NH2+]C(C)C)cc2C)n1 CC(C)[*:1] Cc1csc(COc2c(C)cc(cc2C)C[NH2+][*:1])n1
Cc1csc(COc2c(C)cc(C[NH2+]C(C)C)cc2C)n1 Cc1csc(n1)[*:1] Cc1cc(cc(C)c1OC[*:1])C[NH2+]C(C)C
Cc1csc(COc2c(C)cc(C[NH2+]C(C)C)cc2C)n1 Cc1csc(C[*:1])n1 Cc1cc(cc(C)c1O[*:1])C[NH2+]C(C)C
CCc1nc2cccnc2n1-c1ccc(C(=O)NCc2ccccn2)cc1 c1ccc(C[*:1])nc1 CCc1nc2cccnc2n1-c1ccc(cc1)C(=O)N[*:1]
CCc1nc2cccnc2n1-c1ccc(C(=O)NCc2ccccn2)cc1 c1ccc(nc1)[*:1] CCc1nc2cccnc2n1-c1ccc(cc1)C(=O)NC[*:1]
CC1=C(C(N)=O)[C@H](c2ccc(Cl)c(Cl)c2)n2nc(-c3ccccc3)nc2N1 c1ccc(cc1)[*:1] CC1Nc2nc(nn2[C@H](C=1C(N)=O)c1ccc(Cl)c(Cl)c1)[*:1]
CC1=C(C(N)=O)[C@H](c2ccc(Cl)c(Cl)c2)n2nc(-c3ccccc3)nc2N1 Clc1ccc(cc1Cl)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(N)=O)[*:1])-c1ccccc1
CC1=C(C(N)=O)[C@H](c2ccc(Cl)c(Cl)c2)n2nc(-c3ccccc3)nc2N1 NC(=O)[*:1] CC1Nc2nc(nn2[C@H](C=1[*:1])c1ccc(Cl)c(Cl)c1)-c1ccccc1
COc1cccc(OCc2cc(C(=O)N[C@H](C)c3nnn[n-]3)[nH]n2)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)c1cc(CO[*:1])n[nH]1)c1nnn[n-]1
CCC(=O)Nc1nn(CC(C)C)c2nc3ccc(OC)cc3cc12 CC(C)[*:1] CCC(=O)Nc1nn(C[*:1])c2nc3ccc(cc3cc12)OC
CCC(=O)Nc1nn(CC(C)C)c2nc3ccc(OC)cc3cc12 CCC(=O)N[*:1] COc1ccc2nc3c(cc2c1)c(nn3CC(C)C)[*:1]
CCC(=O)Nc1nn(CC(C)C)c2nc3ccc(OC)cc3cc12 CC(C)C[*:1] CCC(=O)Nc1nn(c2nc3ccc(cc3cc12)OC)[*:1]
O=C([O-])c1cc2c(C(F)(F)F)onc2c2ccccc12 FC(F)(F)[*:1] O=C([O-])c1cc2c(onc2c2ccccc12)[*:1]
O=C([O-])c1cc2c(C(F)(F)F)onc2c2ccccc12 O=C([O-])[*:1] FC(F)(F)c1onc2c1cc(c1ccccc12)[*:1]
N#Cc1ccc(CO/N=C(\N)COc2ccccc2)c(F)c1 c1ccc(cc1)O[*:1] N#Cc1ccc(CO/N=C(\N)C[*:1])c(F)c1
N#Cc1ccc(CO/N=C(\N)COc2ccccc2)c(F)c1 c1ccc(cc1)[*:1] N#Cc1ccc(CO/N=C(\N)CO[*:1])c(F)c1
CCN(Cc1ccccn1)C(=O)C(C)(C)c1ccccc1F c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)C(C)(C)c1ccccc1F
CCN(Cc1ccccn1)C(=O)C(C)(C)c1ccccc1F Fc1ccccc1[*:1] CCN(Cc1ccccn1)C(=O)C(C)(C)[*:1]
CCN(Cc1ccccn1)C(=O)C(C)(C)c1ccccc1F c1ccc(C[*:1])nc1 CCN(C(=O)C(C)(C)c1ccccc1F)[*:1]
COc1cccc2cc(C(=O)NCCCS(C)(=O)=O)oc12 CS(=O)(=O)CC[*:1] COc1cccc2cc(oc12)C(=O)NC[*:1]
COc1cccc2cc(C(=O)NCCCS(C)(=O)=O)oc12 CS(=O)(=O)C[*:1] COc1cccc2cc(oc12)C(=O)NCC[*:1]
COc1cccc2cc(C(=O)NCCCS(C)(=O)=O)oc12 CS(=O)(=O)[*:1] COc1cccc2cc(oc12)C(=O)NCCC[*:1]
COc1cccc2cc(C(=O)NCCCS(C)(=O)=O)oc12 CS(=O)(=O)CCC[*:1] COc1cccc2cc(oc12)C(=O)N[*:1]
COc1cccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)c1 CC(C)(C)NS(=O)(=O)[*:1] COc1cccc(c1)NC(=O)c1ccc(o1)[*:1]
COc1cccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)c1 COc1cccc(c1)[*:1] CC(C)(C)NS(=O)(=O)c1ccc(o1)C(=O)N[*:1]
COc1cccc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)c1 CC(C)(C)[*:1] COc1cccc(c1)NC(=O)c1ccc(o1)S(=O)(=O)N[*:1]
O=C(NCC1CCN(c2nc3ccccc3o2)CC1)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)c1nc2ccccc2o1)C(=O)N[*:1]
O=C(NCC1CCN(c2nc3ccccc3o2)CC1)C(=O)Nc1ccc(Cl)cc1 c1ccc2oc(nc2c1)[*:1] O=C(NCC1CCN(CC1)[*:1])C(=O)Nc1ccc(Cl)cc1
CCCNC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(F)cc1 CCCNC(=O)[*:1] N#CC(=Cc1c[nH]nc1-c1ccc(F)cc1)[*:1]
CCCNC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(F)cc1 CCC[*:1] N#C/C(=C/c1c[nH]nc1-c1ccc(F)cc1)C(=O)N[*:1]
CCCNC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCNC(=O)/C(C#N)=C\c1c[nH]nc1[*:1]
CS(=O)(=O)c1ccc(OC2CCCC2)c(N)c1 CS(=O)(=O)[*:1] Nc1cc(ccc1OC1CCCC1)[*:1]
CS(=O)(=O)c1ccc(OC2CCCC2)c(N)c1 C1CCC(C1)[*:1] CS(=O)(=O)c1ccc(O[*:1])c(N)c1
CN(Cc1ccccc1)C(=O)[C@@]12CC[C@@](C)([C@H]1Br)C2(C)C c1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@@]12CC[C@@](C)([C@H]1Br)C2(C)C
CN(Cc1ccccc1)C(=O)[C@@]12CC[C@@](C)([C@H]1Br)C2(C)C c1ccc(cc1)C[*:1] CN(C(=O)[C@@]12CC[C@@](C)([C@H]1Br)C2(C)C)[*:1]
COC(=O)c1c(NC(=O)C(=O)N[C@H](C)c2ccccc2)sc(C)c1C c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)C(=O)N[C@H](C)[*:1])sc(C)c1C
COC(=O)c1c(NC(=O)C(=O)N[C@H](C)c2ccccc2)sc(C)c1C COC(=O)[*:1] Cc1sc(NC(=O)C(=O)N[C@H](C)c2ccccc2)c(c1C)[*:1]
COC(=O)c1c(NC(=O)C(=O)N[C@H](C)c2ccccc2)sc(C)c1C C[C@H](c1ccccc1)[*:1] COC(=O)c1c(NC(=O)C(=O)N[*:1])sc(C)c1C
C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1cccc(c1)NC(=O)[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1 O=C(N[*:1])c1ccccc1 C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)Nc1cccc(c1)[*:1]
C1=CN=C([C@H]2CCCN2Cc2coc(-c3cccs3)n2)C1 c1csc(c1)[*:1] C1=CN=C(C1)[C@H]1CCCN1Cc1coc(n1)[*:1]
CO[C@H](/C([O-])=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H](/C([O-])=N/S(=O)(=O)c1ccc(C)cc1)[*:1]
CO[C@H](/C([O-])=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1 Cc1ccc(cc1)[*:1] CO[C@H](/C([O-])=N/S(=O)(=O)[*:1])c1ccccc1
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(N2CCCC2=O)c1 Clc1ccc(cc1Cl)[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)N1CCCC1=O
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(c1)[*:1]
Cc1csc(C(=O)[O-])c1NC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1csc(C(=O)[O-])c1NC(=O)c1cccc(c1)[*:1]
Cc1csc(C(=O)[O-])c1NC(=O)c1cccc([N+](=O)[O-])c1 O=C([O-])[*:1] Cc1csc(c1NC(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
CC(C)(C)c1ncc(CN2CCN(c3ncccc3F)CC2)s1 CC(C)(C)[*:1] Fc1cccnc1N1CCN(CC1)Cc1cnc(s1)[*:1]
CC(C)(C)c1ncc(CN2CCN(c3ncccc3F)CC2)s1 Fc1cccnc1[*:1] CC(C)(C)c1ncc(CN2CCN(CC2)[*:1])s1
Cc1cccc(CN(C)C(=O)c2cc(N)n[nH]2)n1 Nc1cc([nH]n1)[*:1] Cc1cccc(CN(C)C(=O)[*:1])n1
O=C(C[C@H](O)c1ccccc1)NCc1ccc(OC2CCCC2)nc1 O[C@H](c1ccccc1)[*:1] O=C(C[*:1])NCc1ccc(nc1)OC1CCCC1
O=C(C[C@H](O)c1ccccc1)NCc1ccc(OC2CCCC2)nc1 C1CCC(C1)[*:1] O=C(C[C@H](O)c1ccccc1)NCc1ccc(nc1)O[*:1]
O=C(C[C@H](O)c1ccccc1)NCc1ccc(OC2CCCC2)nc1 C1CCC(C1)O[*:1] O=C(C[C@H](O)c1ccccc1)NCc1ccc(nc1)[*:1]
O=C(C[C@H](O)c1ccccc1)NCc1ccc(OC2CCCC2)nc1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])NCc1ccc(nc1)OC1CCCC1
O=c1n(Cc2cccc(F)c2)nc2nc(N3CCCC3)ccn12 C1CCN(C1)[*:1] O=c1n(Cc2cccc(F)c2)nc2nc(ccn12)[*:1]
O=c1n(Cc2cccc(F)c2)nc2nc(N3CCCC3)ccn12 Fc1cccc(c1)[*:1] O=c1n(C[*:1])nc2nc(ccn12)N1CCCC1
CN1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)c4ccccc4)C3)nc3ccccc23)CC1 CN1CCN(CC1)C(=O)[*:1] O=C(c1ccccc1)N1CC[C@H](C1)c1cc(c2ccccc2n1)[*:1]
CN1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)c4ccccc4)C3)nc3ccccc23)CC1 c1ccc(cc1)[*:1] CN1CCN(CC1)C(=O)c1cc(nc2ccccc12)[C@@H]1CCN(C1)C(=O)[*:1]
CC1=C[C@@H]([C@@H]2NN[C@H](S)N2/N=C/c2cccc(C)c2)N=N1 Cc1cccc(c1)[*:1] CC1=C[C@H](N=N1)[C@@H]1NN[C@H](S)N1N=C[*:1]
Cc1ccccc1NCN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O Ic1ccc(cc1)[*:1] Cc1ccccc1NCN1C(=O)SC(=C[*:1])C1=O
Cc1ccccc1NCN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O Cc1ccccc1N[*:1] O=C1S/C(=C\c2ccc(I)cc2)C(=O)N1C[*:1]
Cc1ccccc1NCN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O Cc1ccccc1[*:1] O=C1S/C(=C\c2ccc(I)cc2)C(=O)N1CN[*:1]
Cc1c(C(=O)N2CCCn3ncnc32)nnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)N1CCCn2ncnc21
O=C(c1ccco1)N1CCC(Nc2nc3ccccc3o2)CC1 c1coc(c1)[*:1] O=C(N1CCC(CC1)Nc1nc2ccccc2o1)[*:1]
COc1ccc(CNC(=O)[C@@H](C)SC2=Nc3ccccc3CS2)cc1 COc1ccc(cc1)[*:1] C[C@@H](SC1=Nc2ccccc2CS1)C(=O)NC[*:1]
COc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)C(=O)Nc1nc(cs1)[*:1]
CC1=C[C@@H]([C@H]2CCCN2C[C@H]2C=NN=C2c2ccc(C)c(C)c2)NO1 Cc1ccc(cc1C)[*:1] CC1=C[C@H](NO1)[C@H]1CCCN1C[C@H]1C=NN=C1[*:1]
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCOC2CCOCC2)C1 Cc1ccccc1[*:1] C[C@H]1C[C@@H](CN1C(=O)CCOC1CCOCC1)[*:1]
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCOC2CCOCC2)C1 C1CC(CCO1)[*:1] Cc1ccccc1[C@H]1C[C@H](C)N(C1)C(=O)CCO[*:1]
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCOC2CCOCC2)C1 C1CC(CCO1)OC[*:1] Cc1ccccc1[C@H]1C[C@H](C)N(C1)C(=O)C[*:1]
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCOC2CCOCC2)C1 C1CC(CCO1)O[*:1] Cc1ccccc1[C@H]1C[C@H](C)N(C1)C(=O)CC[*:1]
COC(=O)[C@@H](N)CSc1ccncc1 COC(=O)[*:1] N[C@@H](CSc1ccncc1)[*:1]
COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 COC(=O)[*:1] Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc(cc2)[*:1])c(C)c1
COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 Cc1cc(C)c(c(C)c1)[*:1] COC(=O)c1ccc(cc1)C(=O)O[C@H](C)C(=O)N[*:1]
Cc1cccc(CC(=O)NC[C@]2(O)CCc3ccccc3C2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])NC[C@]1(O)CCc2ccccc2C1
Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(C(=O)c3ccoc3)C2)on1 Cc1cc(on1)[*:1] Cc1cc2ncc(c([C@@H]3CCCN(C3)C(=O)c3ccoc3)n2n1)[*:1]
Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(C(=O)c3ccoc3)C2)on1 c1cc(co1)[*:1] Cc1cc(on1)-c1cnc2cc(C)nn2c1[C@@H]1CCCN(C1)C(=O)[*:1]
Cc1ccc(C)c(OC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)OC(=O)c1ccc(=O)n(n1)[*:1]
Cc1ccc(C)c(OC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)c1 Cc1ccc(C)c(c1)[*:1] O=C(O[*:1])c1ccc(=O)n(n1)-c1ccc(F)cc1
CCc1ocnc1-c1nc(C)nn1-c1cccc2cccnc12 CCc1ocnc1[*:1] Cc1nc(n(n1)-c1cccc2cccnc12)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2ccccc2)C(C)=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1CN(Cc1ccccc1)C(C)=O)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2ccccc2)C(C)=O)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)-c1nn(cc1CN(C(C)=O)[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2ccccc2)C(C)=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1CN(C[*:1])C(C)=O)-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2ccccc2)C(C)=O)cc1 COc1ccc(cc1)[*:1] CC(=O)N(Cc1ccccc1)Cc1cn(nc1[*:1])-c1ccccc1
CCCOc1ncccc1CNC(=O)N(C)Cc1ccc(F)cc1 CCCO[*:1] CN(Cc1ccc(F)cc1)C(=O)NCc1cccnc1[*:1]
CCCOc1ncccc1CNC(=O)N(C)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCCOc1ncccc1CNC(=O)N(C)[*:1]
CCCOc1ncccc1CNC(=O)N(C)Cc1ccc(F)cc1 CCC[*:1] CN(Cc1ccc(F)cc1)C(=O)NCc1cccnc1O[*:1]
CCCOc1ncccc1CNC(=O)N(C)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCOc1ncccc1CNC(=O)N(C)C[*:1]
C[C@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@H](OC(=O)C1(CCCC1)c1ccc(F)cc1)C(=O)Nc1cccc(c1)[*:1]
C[C@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H](OC(=O)C1(CCCC1)c1ccc(F)cc1)C(=O)N[*:1]
C[C@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 Fc1ccc(cc1)[*:1] C[C@H](OC(=O)C1(CCCC1)[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
CCCN1C(=O)COc2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc21 CCC[*:1] N#Cc1ccc(cc1)-c1nc(no1)-c1ccc2OCC(=O)N(c2c1)[*:1]
CCCN1C(=O)COc2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc21 N#Cc1ccc(cc1)[*:1] CCCN1C(=O)COc2ccc(cc21)-c1noc(n1)[*:1]
COCc1cccc(CNC(=O)Cc2cccc(Cl)c2)c1 COC[*:1] O=C(Cc1cccc(Cl)c1)NCc1cccc(c1)[*:1]
COCc1cccc(CNC(=O)Cc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] COCc1cccc(c1)CNC(=O)C[*:1]
COc1ccc(/C=C/[C@@H](O)CO)cc1OC OC[C@H](O)[*:1] COc1ccc(C=C[*:1])cc1OC
Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)[*:1]
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1 CCC(C)(C)NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc[n+]([O-])cc1
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1 [O-][n+]1ccc(cc1)[*:1] CCC(C)(C)NC(=O)c1ccc(cc1)NC(=O)[*:1]
CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1 CCC(C)(C)[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1cc[n+]([O-])cc1
CCOC(=O)C1(C)CCN(C(=O)N[C@H]2CCO[C@H]2c2ccccc2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)N[C@H]1CCO[C@H]1c1ccccc1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)N[C@H]2CCO[C@H]2c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)N[C@H]1CCO[C@@H]1[*:1]
Cc1cc(NC(=O)N(C)[C@H](C)c2ccccc2F)n(Cc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(NC(=O)N(C)[C@H](C)c2ccccc2F)n(C[*:1])n1
Cc1cc(NC(=O)N(C)[C@H](C)c2ccccc2F)n(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(NC(=O)N(C)[C@H](C)c2ccccc2F)n(n1)[*:1]
Cc1cc(NC(=O)N(C)[C@H](C)c2ccccc2F)n(Cc2ccccc2)n1 Fc1ccccc1[*:1] Cc1cc(NC(=O)N(C)[C@H](C)[*:1])n(Cc2ccccc2)n1
CC(C)CCNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N CC(C)[*:1] Nc1c(ncnc1N1CCN(CC1)c1ccc(F)cc1)NCC[*:1]
CC(C)CCNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N Fc1ccc(cc1)[*:1] CC(C)CCNc1ncnc(c1N)N1CCN(CC1)[*:1]
CC(C)CCNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N CC(C)CC[*:1] Nc1c(ncnc1N1CCN(CC1)c1ccc(F)cc1)N[*:1]
CC(C)CCNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N CC(C)C[*:1] Nc1c(ncnc1N1CCN(CC1)c1ccc(F)cc1)NC[*:1]
CC(C)CCNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N CC(C)CCN[*:1] Nc1c(ncnc1[*:1])N1CCN(CC1)c1ccc(F)cc1
CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1O[*:1]
CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 CC(C)[*:1] C[NH+](C)CCN(C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1)[*:1]
CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1Cl O=C1CCC[C@H]1[*:1] O=C(c1ccc(F)cc1Cl)N1CCC[C@@H]1[*:1]
Cc1nc(COC(=O)c2cccc(N3CCCNC3=O)c2)c(C)s1 Cc1nc(c(C)s1)[*:1] O=C(OC[*:1])c1cccc(c1)N1CCCNC1=O
Cc1nc(COC(=O)c2cccc(N3CCCNC3=O)c2)c(C)s1 O=C1NCCCN1[*:1] Cc1nc(COC(=O)c2cccc(c2)[*:1])c(C)s1
Cc1nc(COC(=O)c2cccc(N3CCCNC3=O)c2)c(C)s1 Cc1nc(C[*:1])c(C)s1 O=C(O[*:1])c1cccc(c1)N1CCCNC1=O
CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)CNC(=O)[C@@H]1CCCN(C1)c1nccnc1S[*:1]
CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1 CCc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)c1nccnc1Sc1ccccc1
CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1 c1ccc(cc1)S[*:1] CCc1ccc(cc1)CNC(=O)[C@@H]1CCCN(C1)c1nccnc1[*:1]
CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1 CCc1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1nccnc1Sc1ccccc1
COCC[C@@H](C)C(=O)N[C@H](C)c1c(F)cccc1OC COCC[*:1] COc1cccc(F)c1[C@@H](C)NC(=O)[C@H](C)[*:1]
COCC[C@@H](C)C(=O)N[C@H](C)c1c(F)cccc1OC COCC[C@@H](C)[*:1] COc1cccc(F)c1[C@@H](C)NC(=O)[*:1]
COCC[C@@H](C)C(=O)N[C@H](C)c1c(F)cccc1OC COC[*:1] COc1cccc(F)c1[C@@H](C)NC(=O)[C@H](C)C[*:1]
CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 O=[N+]([O-])[*:1] CN(C(=O)c1ccc(Cl)c(c1)[*:1])c1ccc2ccccc2c1
CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC2(OC)CCOCC2)cc1 CCS(=O)(=O)[*:1] COC1(CCOCC1)C[NH2+][C@@H](C)c1ccc(cc1)[*:1]
CC(C)[NH2+][C@H](CC1CC1)c1ccc(F)cn1 CC(C)[*:1] Fc1ccc(nc1)[C@@H](CC1CC1)[NH2+][*:1]
CC(C)[NH2+][C@H](CC1CC1)c1ccc(F)cn1 C1CC1C[*:1] CC(C)[NH2+][C@H](c1ccc(F)cn1)[*:1]
CC(C)[NH2+][C@H](CC1CC1)c1ccc(F)cn1 C1CC1[*:1] CC(C)[NH2+][C@H](C[*:1])c1ccc(F)cn1
COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)[*:1]
CCOc1ccccc1N(C)C(=O)c1ccnc(OC(C)(C)C)c1 CCO[*:1] CN(C(=O)c1ccnc(c1)OC(C)(C)C)c1ccccc1[*:1]
CCOc1ccccc1N(C)C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CCOc1ccccc1N(C)C(=O)c1ccnc(c1)O[*:1]
CCOc1ccccc1N(C)C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CCOc1ccccc1N(C)C(=O)c1ccnc(c1)[*:1]
CCCOc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CCCOc1ccc(cc1)C(=O)NNC(=O)[*:1]
CCCOc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1 CCC[*:1] O=C(NNC(=O)c1ccc(cc1)O[*:1])c1ccc(Br)cc1
CCCOc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1 CCCO[*:1] O=C(NNC(=O)c1ccc(cc1)[*:1])c1ccc(Br)cc1
CCCC[C@@H](Br)C(=O)Nc1nc2ccc(C)cc2s1 CCCC[C@@H](Br)[*:1] Cc1ccc2nc(NC(=O)[*:1])sc2c1
CCCC[C@@H](Br)C(=O)Nc1nc2ccc(C)cc2s1 CCCC[*:1] Cc1ccc2nc(NC(=O)[C@H](Br)[*:1])sc2c1
CCCC[C@@H](Br)C(=O)Nc1nc2ccc(C)cc2s1 CCC[*:1] Cc1ccc2nc(NC(=O)[C@H](Br)C[*:1])sc2c1
CCOC[C@H]1CCN(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)C1 CCOC[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)N1CC[C@@H](C1)[*:1]
CCOC[C@H]1CCN(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)C1 CC(C)(C)NC(=O)[*:1] CCOC[C@H]1CCN(C1)C(=O)Nc1cccc(c1)[*:1]
CCOC[C@H]1CCN(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)C1 CC(C)(C)[*:1] CCOC[C@H]1CCN(C1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
CCOC[C@H]1CCN(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)C1 CCO[*:1] CC(C)(C)NC(=O)c1cccc(c1)NC(=O)N1CC[C@@H](C1)C[*:1]
Cc1cccc(-c2ncc(-c3cn([C@H](C)c4ncccc4C)nn3)cn2)c1 Cc1cccnc1[*:1] Cc1cccc(c1)-c1ncc(cn1)-c1cn(nn1)[C@H](C)[*:1]
Cc1cccc(-c2ncc(-c3cn([C@H](C)c4ncccc4C)nn3)cn2)c1 Cc1cccc(c1)[*:1] Cc1cccnc1[C@@H](C)n1cc(nn1)-c1cnc(nc1)[*:1]
CCCn1c(=O)c(-c2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)nc2ccccc21 CCC[*:1] O=C(NCC[NH+]1CCCCCC1)c1ccc(cc1)-c1nc2ccccc2n(c1=O)[*:1]
CCc1cnc(CCNC(=O)CO[C@@H]2CCC[C@H](C)C2)s1 CCc1cnc(s1)[*:1] C[C@H]1CCC[C@H](C1)OCC(=O)NCC[*:1]
Cc1nc(N2CCN(Cc3c[nH]nc3-c3cccs3)CC2)c2cnn(C)c2n1 c1csc(c1)[*:1] Cc1nc(c2cnn(C)c2n1)N1CCN(CC1)Cc1c[nH]nc1[*:1]
COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cc(F)ccc1F COC(=O)[*:1] C[C@@H]1CC2Nc3ccccc3N[C@@H](C=2C(=O)[C@@H]1[*:1])c1cc(F)ccc1F
COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2[*:1]
C=CCNC(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 c1ccc(cc1)S[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)C[*:1]
C=CCNC(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 c1ccc(cc1)[*:1] C=CCNC(=O)c1ccc(cc1)NC(=O)CS[*:1]
C=CCNC(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 C=CC[*:1] O=C(CSc1ccccc1)Nc1ccc(cc1)C(=O)N[*:1]
C=CCNC(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 C=CCNC(=O)[*:1] O=C(CSc1ccccc1)Nc1ccc(cc1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(n2ccnn2)CC1 CC(C)[*:1] O=C(N[C@H](C(=O)N1CCC(CC1)n1ccnn1)[*:1])c1ccccc1
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(n2ccnn2)CC1 c1cn(nn1)[*:1] CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(CC1)[*:1]
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(n2ccnn2)CC1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCC(CC1)n1ccnn1
Cc1cc(C)cc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)o2)c1 Cc1cc(C)cc(c1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(o1)[*:1]
CCCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(OCC)cc2)C1=O CCC[*:1] CCOc1ccc(cc1)N/C=C1/C(=O)N(C[*:1])C(=O)C(C#N)=C1C
CCCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(OCC)cc2)C1=O CCCC[*:1] CCOc1ccc(cc1)N/C=C1/C(=O)N(C(=O)C(C#N)=C1C)[*:1]
CCCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(OCC)cc2)C1=O CCO[*:1] CCCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(cc2)[*:1])C1=O
C[C@@H]1CCOCCN1C(=O)NCCCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CCOCCN1C(=O)NCCC[*:1]
Cc1nnc(S[C@H]2CCC[C@@]([NH2+]C3CC3)(C(=O)[O-])C2)n1C Cc1nnc(n1C)[*:1] O=C([O-])[C@@]1(CCC[C@@H](C1)S[*:1])[NH2+]C1CC1
Cc1nnc(S[C@H]2CCC[C@@]([NH2+]C3CC3)(C(=O)[O-])C2)n1C C1CC1[*:1] Cc1nnc(S[C@H]2CCC[C@@](C2)([NH2+][*:1])C(=O)[O-])n1C
Cc1nnc(S[C@H]2CCC[C@@]([NH2+]C3CC3)(C(=O)[O-])C2)n1C O=C([O-])[*:1] Cc1nnc(S[C@H]2CCC[C@](C2)([NH2+]C2CC2)[*:1])n1C
O=C(COC(=O)c1n[nH]c2ccccc12)Nc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(COC(=O)c1n[nH]c2ccccc12)Nc1nnc(o1)[*:1]
O=C(COC(=O)c1n[nH]c2ccccc12)Nc1nnc(-c2ccccc2)o1 c1ccc2c(n[nH]c2c1)[*:1] O=C(COC(=O)[*:1])Nc1nnc(o1)-c1ccccc1
C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1F)[*:1]
C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)N1CCCC1 Fc1ccccc1[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)[*:1])C(=O)N1CCCC1
O=C1c2ccccc2C(=O)N1[C@@H]1[C@H](OCc2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O c1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1[C@@H]1[C@H](OCc2ccccc2)O[C@H]2CO[C@H](O[C@H]2[C@@H]1O)[*:1]
O=C1c2ccccc2C(=O)N1[C@@H]1[C@H](OCc2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O c1ccc(cc1)C[*:1] O=C1c2ccccc2C(=O)N1[C@@H]1[C@@H](O[C@H]2CO[C@@H](O[C@H]2[C@@H]1O)c1ccccc1)O[*:1]
O=C1c2ccccc2C(=O)N1[C@@H]1[C@H](OCc2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O c1ccc(cc1)[*:1] O=C1c2ccccc2C(=O)N1[C@@H]1[C@H](OC[*:1])O[C@H]2CO[C@@H](O[C@H]2[C@@H]1O)c1ccccc1
O=C1c2ccccc2C(=O)N1[C@@H]1[C@H](OCc2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O O=C1c2ccccc2C(=O)N1[*:1] O[C@H]1[C@@H]2O[C@H](OC[C@@H]2O[C@@H](OCc2ccccc2)[C@H]1[*:1])c1ccccc1
O=C1c2ccccc2C(=O)N1[C@@H]1[C@H](OCc2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O c1ccc(cc1)CO[*:1] O=C1c2ccccc2C(=O)N1[C@H]1[C@@H](O)[C@@H]2O[C@H](OC[C@@H]2O[C@@H]1[*:1])c1ccccc1
Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 FC(F)(F)[*:1] Cc1cc(nn1CC(=O)N[C@@H](C)c1ccc(cc1)-n1cccc1)[*:1]
Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] Cc1cc(nn1CC(=O)N[C@@H](C)c1ccc(cc1)[*:1])C(F)(F)F
COC(=O)c1sc2[nH]c(C[NH+]3CCN(c4ccc(C(C)=O)cc4)CC3)nc(=O)c2c1C CC(=O)[*:1] COC(=O)c1sc2[nH]c(C[NH+]3CCN(CC3)c3ccc(cc3)[*:1])nc(=O)c2c1C
COC(=O)c1sc2[nH]c(C[NH+]3CCN(c4ccc(C(C)=O)cc4)CC3)nc(=O)c2c1C CC(=O)c1ccc(cc1)[*:1] COC(=O)c1sc2[nH]c(C[NH+]3CCN(CC3)[*:1])nc(=O)c2c1C
COC(=O)c1sc2[nH]c(C[NH+]3CCN(c4ccc(C(C)=O)cc4)CC3)nc(=O)c2c1C COC(=O)[*:1] CC(=O)c1ccc(cc1)N1CC[NH+](CC1)Cc1nc(=O)c2c(C)c(sc2[nH]1)[*:1]
CCCCn1c(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n[nH]c1=O CCC[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Sc1n[nH]c(=O)n1C[*:1]
CCCCn1c(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n[nH]c1=O CCCC[*:1] Cc1sc2nc([nH]c(=O)c2c1C)[C@H](C)Sc1n[nH]c(=O)n1[*:1]
CCc1ncsc1C(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 CCc1ncsc1[*:1] O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)[*:1]
CCc1ncsc1C(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] CCc1ncsc1C(=O)N[C@H]1CCCC[C@H]1O[*:1]
CCc1ncsc1C(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] CCc1ncsc1C(=O)N[C@H]1CCCC[C@@H]1[*:1]
C[C@H]1SCCC[C@H]1Nc1ccc(Cn2cncn2)cc1 c1ncn(n1)[*:1] C[C@H]1SCCC[C@H]1Nc1ccc(cc1)C[*:1]
C[C@H]1SCCC[C@H]1Nc1ccc(Cn2cncn2)cc1 c1ncn(C[*:1])n1 C[C@H]1SCCC[C@H]1Nc1ccc(cc1)[*:1]
Cc1cccc(C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)c1 Cc1cccc(c1)[*:1] Cc1ccc2cc(/C=N/NC(=O)[*:1])c(Cl)nc2c1
CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)[NH+]1CCN(CCO)CC1)CCCC2 c1ccc(nc1)[*:1] CC(=O)Nc1sc2CCCCc2c1[C@@H]([NH+]1CCN(CCO)CC1)[*:1]
CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)[NH+]1CCN(CCO)CC1)CCCC2 OCC[*:1] CC(=O)Nc1sc2CCCCc2c1[C@@H](c1ccccn1)[NH+]1CCN(CC1)[*:1]
CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)[NH+]1CCN(CCO)CC1)CCCC2 CC(=O)N[*:1] OCCN1CC[NH+](CC1)[C@H](c1ccccn1)c1c(sc2CCCCc21)[*:1]
COc1ccc2nc(C(=O)N3CCN(c4ncccc4F)CC3)ccc2c1 Fc1cccnc1[*:1] COc1ccc2nc(ccc2c1)C(=O)N1CCN(CC1)[*:1]
O=C(Nc1cccc(Cl)c1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 Clc1cccc(c1)[*:1] O=C(N[*:1])N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2
O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc(Cl)c1 Clc1cccc(c1)C[*:1] O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1[*:1]
O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C[*:1]
CCCCc1nnc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)s1 CCC[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)Nc1nnc(C[*:1])s1
CCCCc1nnc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)s1 CCCC[*:1] C[C@H]1CCc2sc(cc2C1)C(=O)Nc1nnc(s1)[*:1]
O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC1(CO)CCCC1 O=S(=O)(C(F)F)[*:1] O=C(Cc1ccc(cc1)[*:1])NC1(CO)CCCC1
O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC1(CO)CCCC1 FC(F)[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)[*:1])NC1(CO)CCCC1
O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC1(CO)CCCC1 OCC1(CCCC1)[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)C(F)F)N[*:1]
COc1ccc(-c2nc(CC(=O)NCC3(N4CCOCC4)CCCCC3)cs2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)-c1nc(cs1)CC(=O)NCC1(CCCCC1)[*:1]
COc1ccc(-c2nc(CC(=O)NCC3(N4CCOCC4)CCCCC3)cs2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1csc(n1)[*:1])NCC1(CCCCC1)N1CCOCC1
COC(=O)c1cnc(N(C)C(=O)C2C[C@@H](C)O[C@H](C)C2)s1 COC(=O)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N(C)c1ncc(s1)[*:1]
Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1cccc(c1)[N+](=O)[O-]
Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1cc(C)cc(c1)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CO[C@H](CNC(=O)C(=O)Nc1c(C)ccn(C)c1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)C(=O)Nc1c(C)ccn(C)c1=O)[*:1]
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CC(C)Oc1ccc(cc1NC(=O)c1ccc(cc1)[*:1])S(=O)(=O)N1CCOCC1
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 O=S(=O)(N1CCOCC1)[*:1] CC(C)Oc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 CC(C)O[*:1] O=C(Nc1cc(ccc1[*:1])S(=O)(=O)N1CCOCC1)c1ccc(cc1)N1CCCC1=O
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 CC(C)[*:1] O=C(Nc1cc(ccc1O[*:1])S(=O)(=O)N1CCOCC1)c1ccc(cc1)N1CCCC1=O
O=C(Cn1cnc2ccccc2c1=O)OCc1nnc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] O=C(Cn1cnc2ccccc2c1=O)OCc1nnc(o1)[*:1]
CCc1nn(C)cc1NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 CCc1nn(C)cc1[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(c1)-n1cccn1
CCc1nn(C)cc1NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] CCc1nn(C)cc1NC(=O)N[C@H](C)c1cccc(c1)[*:1]
Cc1csc(NC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)NCCC[NH+]1CCN(CC1)C[*:1]
Cc1csc(NC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] Cc1csc(n1)NC(=O)NCCC[NH+]1CCN(CC1)[*:1]
Cc1csc(NC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 Cc1csc(n1)[*:1] O=C(NCCC[NH+]1CCN(CC1)Cc1ccccc1)N[*:1]
NC(=O)c1ccc(C(=O)Oc2ccc(N3CCCC3)cc2)cn1 NC(=O)[*:1] O=C(Oc1ccc(cc1)N1CCCC1)c1ccc(nc1)[*:1]
NC(=O)c1ccc(C(=O)Oc2ccc(N3CCCC3)cc2)cn1 C1CCN(C1)[*:1] NC(=O)c1ccc(cn1)C(=O)Oc1ccc(cc1)[*:1]
Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)NC(=O)c2ccco2)c(C)c1 c1coc(c1)[*:1] Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)NC(=O)[*:1])c(C)c1
Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)NC(=O)c2ccco2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)CN[*:1]
Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)NC(=O)c2ccco2)c(C)c1 O=C(N[*:1])c1ccco1 Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)[*:1])c(C)c1
O=C(NCc1ccncc1)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O c1cc(ccn1)[*:1] O=C(NC[*:1])c1ccc([nH]c1=O)-c1ccc(Cl)cc1
O=C(NCc1ccncc1)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O Clc1ccc(cc1)[*:1] O=C(NCc1ccncc1)c1ccc([nH]c1=O)[*:1]
O=C(NCc1ccncc1)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O c1cc(ccn1)C[*:1] O=C(N[*:1])c1ccc([nH]c1=O)-c1ccc(Cl)cc1
Cc1nc(CCCNc2cccc(Oc3ccc(C#N)cn3)c2)cs1 N#Cc1ccc(nc1)[*:1] Cc1nc(cs1)CCCNc1cccc(c1)O[*:1]
Cc1nc(CCCNc2cccc(Oc3ccc(C#N)cn3)c2)cs1 Cc1nc(cs1)C[*:1] N#Cc1ccc(nc1)Oc1cccc(c1)NCC[*:1]
Cc1nc(CCCNc2cccc(Oc3ccc(C#N)cn3)c2)cs1 Cc1nc(cs1)CC[*:1] N#Cc1ccc(nc1)Oc1cccc(c1)NC[*:1]
Cc1nc(CCCNc2cccc(Oc3ccc(C#N)cn3)c2)cs1 Cc1nc(cs1)[*:1] N#Cc1ccc(nc1)Oc1cccc(c1)NCCC[*:1]
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCC1 CCN(CC)[*:1] O=C(Nc1cc(ccc1[*:1])S(=O)(=O)N1CCCCC1)C1CCC1
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCC1 C1CC(C1)[*:1] CCN(CC)c1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCCCC1
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCC1 O=C(N[*:1])C1CCC1 CCN(CC)c1ccc(cc1[*:1])S(=O)(=O)N1CCCCC1
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCC1 O=S(=O)(N1CCCCC1)[*:1] CCN(CC)c1ccc(cc1NC(=O)C1CCC1)[*:1]
CC#CCOC(=O)[C@@H](C)Cc1c(C)noc1C CC#C[*:1] Cc1noc(C)c1C[C@H](C)C(=O)OC[*:1]
CC#CCOC(=O)[C@@H](C)Cc1c(C)noc1C CC#CC[*:1] Cc1noc(C)c1C[C@H](C)C(=O)O[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(-n2cncn2)c1 c1csc(c1)C[*:1] C[NH+](C)CCN(C(=O)c1cccc(c1)-n1cncn1)[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(-n2cncn2)c1 c1csc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1cccc(c1)-n1cncn1
C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(-n2cncn2)c1 c1ncn(n1)[*:1] C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(c1)[*:1]
CS(=O)(=O)NCCCNC(=O)C1(c2cccc(Cl)c2)CCCCC1 CS(=O)(=O)NC[*:1] O=C(NCC[*:1])C1(CCCCC1)c1cccc(Cl)c1
CS(=O)(=O)NCCCNC(=O)C1(c2cccc(Cl)c2)CCCCC1 CS(=O)(=O)N[*:1] O=C(NCCC[*:1])C1(CCCCC1)c1cccc(Cl)c1
CS(=O)(=O)NCCCNC(=O)C1(c2cccc(Cl)c2)CCCCC1 CS(=O)(=O)NCCC[*:1] O=C(N[*:1])C1(CCCCC1)c1cccc(Cl)c1
CS(=O)(=O)NCCCNC(=O)C1(c2cccc(Cl)c2)CCCCC1 CS(=O)(=O)NCC[*:1] O=C(NC[*:1])C1(CCCCC1)c1cccc(Cl)c1
CS(=O)(=O)NCCCNC(=O)C1(c2cccc(Cl)c2)CCCCC1 Clc1cccc(c1)[*:1] CS(=O)(=O)NCCCNC(=O)C1(CCCCC1)[*:1]
O=C(OCC(=O)N1CCCC1)c1ccco1 c1coc(c1)[*:1] O=C(COC(=O)[*:1])N1CCCC1
O=C([O-])[C@H]1CCC(=O)N(CCc2ccccc2F)[C@@H]1c1cccs1 c1csc(c1)[*:1] O=C([O-])[C@H]1CCC(=O)N(CCc2ccccc2F)[C@H]1[*:1]
O=C([O-])[C@H]1CCC(=O)N(CCc2ccccc2F)[C@@H]1c1cccs1 Fc1ccccc1[*:1] O=C([O-])[C@H]1CCC(=O)N(CC[*:1])[C@@H]1c1cccs1
O=C([O-])[C@H]1CCC(=O)N(CCc2ccccc2F)[C@@H]1c1cccs1 O=C([O-])[*:1] O=C1CC[C@@H]([C@@H](c2cccs2)N1CCc1ccccc1F)[*:1]
O=C([O-])[C@H]1CCC(=O)N(CCc2ccccc2F)[C@@H]1c1cccs1 Fc1ccccc1C[*:1] O=C([O-])[C@H]1CCC(=O)N(C[*:1])[C@@H]1c1cccs1
CC(C)C[C@@H](C(=O)NCCc1cccc(F)c1)N1C(=O)c2ccccc2C1=O Fc1cccc(c1)[*:1] CC(C)C[C@@H](C(=O)NCC[*:1])N1C(=O)c2ccccc2C1=O
CC(C)C[C@@H](C(=O)NCCc1cccc(F)c1)N1C(=O)c2ccccc2C1=O Fc1cccc(c1)CC[*:1] CC(C)C[C@@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CC(C)C[C@@H](C(=O)NCCc1cccc(F)c1)N1C(=O)c2ccccc2C1=O CC(C)C[*:1] O=C(NCCc1cccc(F)c1)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC(C)C[C@@H](C(=O)NCCc1cccc(F)c1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(NCCc1cccc(F)c1)[C@H](C[*:1])N1C(=O)c2ccccc2C1=O
CC(C)C[C@@H](C(=O)NCCc1cccc(F)c1)N1C(=O)c2ccccc2C1=O Fc1cccc(c1)C[*:1] CC(C)C[C@@H](C(=O)NC[*:1])N1C(=O)c2ccccc2C1=O
O=C(CSc1ncnc2nc[nH]c12)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSc1ncnc2nc[nH]c12)N1CCN(CC1)[*:1]
Cc1ccccc1CN1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1 Cc1ccccc1[*:1] CC1CCN(CC1)c1nc2CN(CCc2c(=O)[nH]1)C[*:1]
Cc1ccccc1CN1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1 Cc1ccccc1C[*:1] CC1CCN(CC1)c1nc2CN(CCc2c(=O)[nH]1)[*:1]
Cc1ccccc1CN1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1 CC1CCN(CC1)[*:1] Cc1ccccc1CN1CCc2c(C1)nc([nH]c2=O)[*:1]
COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC(=O)N(C1)C[*:1]
COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC(=O)N(C1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 CC[C@@H](C)[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1ccc(cc1)N1CCNC1=O
CC[C@@H](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 O=C1NCCN1[*:1] CC[C@@H](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 CC[C@@H](C)C[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)N1CCNC1=O)[*:1]
Cc1[nH]c(C(=O)OCC(=O)N2CCOCC2)c(C)c1C(=O)OC(C)C CC(C)OC(=O)[*:1] Cc1[nH]c(C(=O)OCC(=O)N2CCOCC2)c(C)c1[*:1]
Cc1[nH]c(C(=O)OCC(=O)N2CCOCC2)c(C)c1C(=O)OC(C)C O=C(N1CCOCC1)[*:1] Cc1[nH]c(C(=O)OC[*:1])c(C)c1C(=O)OC(C)C
Cc1[nH]c(C(=O)OCC(=O)N2CCOCC2)c(C)c1C(=O)OC(C)C CC(C)[*:1] Cc1[nH]c(C(=O)OCC(=O)N2CCOCC2)c(C)c1C(=O)O[*:1]
Cc1ccc(-n2ncc3c(Nc4ccc5c(c4)OCO5)ncnc32)cc1C Cc1ccc(cc1C)[*:1] c1nc(Nc2ccc3OCOc3c2)c2cnn(c2n1)[*:1]
Cc1ccc(-n2ncc3c(Nc4ccc5c(c4)OCO5)ncnc32)cc1C c1cc2OCOc2cc1[*:1] Cc1ccc(cc1C)-n1ncc2c(ncnc21)N[*:1]
c1ccc(N2CCC([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 c1ccc(cc1)[*:1] c1cc(cc[nH+]1)N1CCC(CC1)C[NH2+]C1CCN(CC1)[*:1]
COc1ccc2c([O-])c(Oc3ccccc3)c(=O)oc2c1 c1ccc(cc1)O[*:1] COc1ccc2c([O-])c(c(=O)oc2c1)[*:1]
COc1ccc2c([O-])c(Oc3ccccc3)c(=O)oc2c1 c1ccc(cc1)[*:1] COc1ccc2c([O-])c(O[*:1])c(=O)oc2c1
Cc1cncc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 Clc1cccc(c1)[*:1] Cc1cncc(c1)C(=O)NCc1nc(no1)[*:1]
Cc1cncc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 Cc1cncc(c1)[*:1] O=C(NCc1nc(no1)-c1cccc(Cl)c1)[*:1]
CC[C@@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1nc(C)cs1 Clc1ccc(cc1)[*:1] CC[C@@H](NC(=O)N1CC[C@@H]1[*:1])c1nc(C)cs1
CC[C@@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@@H](NC(=O)N1CC[C@H]1c1ccc(Cl)cc1)[*:1]
Cc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)cc1 Cc1ccc(cc1)C[*:1] Cc1cc(C)c(cc1C)S(=O)(=O)N1CCC(C)(CC1)C(=O)N[*:1]
Cc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(C)c(cc1C)S(=O)(=O)N1CCC(C)(CC1)C(=O)NC[*:1]
Cc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)cc1 Cc1cc(C)c(cc1C)[*:1] Cc1ccc(cc1)CNC(=O)C1(C)CCN(CC1)S(=O)(=O)[*:1]
CC[C@H]1CN(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)C[C@@H](C)O1 c1ccc(cc1)[*:1] CC[C@H]1CN(C[C@@H](C)O1)C(=O)N[C@@H](C)c1noc(n1)[*:1]
C[C@H]1CN(C(=O)COC(=O)COc2ccc(Cl)cc2)C[C@@H](C)O1 Clc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)COC(=O)CO[*:1]
C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(-c2ncco2)ccc1C c1coc(n1)[*:1] C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(ccc1C)[*:1]
CCCNC(=O)c1cccc(C(=O)N2CCC(c3noc(C)n3)CC2)c1 CCCNC(=O)[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CCCNC(=O)c1cccc(C(=O)N2CCC(c3noc(C)n3)CC2)c1 Cc1nc(no1)[*:1] CCCNC(=O)c1cccc(c1)C(=O)N1CCC(CC1)[*:1]
CCCNC(=O)c1cccc(C(=O)N2CCC(c3noc(C)n3)CC2)c1 CCC[*:1] Cc1nc(no1)C1CCN(CC1)C(=O)c1cccc(c1)C(=O)N[*:1]
C[C@@H]1Sc2nnc(Cc3ccccc3F)n2N=C1c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@@H]1Sc2nnc(Cc3ccccc3F)n2N=C1c1ccc(cc1)O[*:1]
C[C@@H]1Sc2nnc(Cc3ccccc3F)n2N=C1c1ccc(OC(F)F)cc1 Fc1ccccc1[*:1] C[C@@H]1Sc2nnc(C[*:1])n2N=C1c1ccc(cc1)OC(F)F
C[C@@H]1Sc2nnc(Cc3ccccc3F)n2N=C1c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@@H]1Sc2nnc(Cc3ccccc3F)n2N=C1c1ccc(cc1)[*:1]
C[C@@H]1Sc2nnc(Cc3ccccc3F)n2N=C1c1ccc(OC(F)F)cc1 Fc1ccccc1C[*:1] C[C@@H]1Sc2nnc(n2N=C1c1ccc(cc1)OC(F)F)[*:1]
Cc1nc(CNC(=O)CCc2nc(C)c(-c3ccccc3)o2)c(C)s1 Cc1nc(c(C)s1)[*:1] Cc1nc(CCC(=O)NC[*:1])oc1-c1ccccc1
Cc1nc(CNC(=O)CCc2nc(C)c(-c3ccccc3)o2)c(C)s1 Cc1nc(C[*:1])c(C)s1 Cc1nc(CCC(=O)N[*:1])oc1-c1ccccc1
Cc1nc(CNC(=O)CCc2nc(C)c(-c3ccccc3)o2)c(C)s1 c1ccc(cc1)[*:1] Cc1nc(CNC(=O)CCc2nc(C)c(o2)[*:1])c(C)s1
Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[C@H](C)C(C)C CC(C)[*:1] Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[C@H](C)[*:1]
Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[*:1]
CC1=C(C(=O)CSc2nnc(C3=NC=CC3)o2)C[C@@H](C)N1c1ccccc1F Fc1ccccc1[*:1] CC1=C(C[C@@H](C)N1[*:1])C(=O)CSc1nnc(o1)C1CC=CN=1
N#Cc1cnc(N2CCc3nnc([C@@H]4CCCO4)n3CC2)nc1N C1CO[C@@H](C1)[*:1] N#Cc1cnc(nc1N)N1CCc2nnc(n2CC1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@H]([C@@H]2CCCCC[C@@H]2[NH3+])C1 CS(=O)(=O)[*:1] [NH3+][C@H]1CCCCC[C@H]1[C@H]1CCC[C@@H](C1)[*:1]
O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccncc1 c1cc(ccn1)[*:1] O=C(Nc1cccc(c1)N1CCCS1(=O)=O)[*:1]
O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccncc1 O=S1(=O)CCCN1[*:1] O=C(Nc1cccc(c1)[*:1])c1ccncc1
CCOC(=O)CCC(=O)N1CCC(Oc2nc3ccc(F)cc3s2)CC1 CCOC(=O)[*:1] O=C(CC[*:1])N1CCC(CC1)Oc1nc2ccc(F)cc2s1
CCOC(=O)CCC(=O)N1CCC(Oc2nc3ccc(F)cc3s2)CC1 CCOC(=O)C[*:1] O=C(C[*:1])N1CCC(CC1)Oc1nc2ccc(F)cc2s1
CCOC(=O)CCC(=O)N1CCC(Oc2nc3ccc(F)cc3s2)CC1 CCOC(=O)CC[*:1] O=C(N1CCC(CC1)Oc1nc2ccc(F)cc2s1)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 C1CC(C1)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 Fc1ccc(cc1)[*:1] Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C1CCC1)[*:1]
Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 Cc1ccn(C)c(=O)c1[*:1] O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)C(=O)N[*:1]
Cc1cc(Br)cnc1N(C)CC[NH2+]C(C)C CC(C)[*:1] Cc1cc(Br)cnc1N(C)CC[NH2+][*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N(C)C(C)(C)C(=O)[O-] O=C([O-])[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N(C)C(C)(C)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N(C)C(C)(C)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N(C)[*:1]
O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(cc1)[*:1]
C[NH+]1CCN(CC[C@H]2CCC[C@@]2([NH3+])C(=O)[O-])CC1 O=C([O-])[*:1] C[NH+]1CCN(CC[C@H]2CCC[C@]2([NH3+])[*:1])CC1
COCCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 COC[*:1] Cn1cc(C(=O)NCC[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
COCCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 COCC[*:1] Cn1cc(C(=O)NC[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
COCCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 COCCCNC(=O)[*:1] Cn1cc(c2nn(-c3ccccc3)c(=O)c-2c1)[*:1]
COCCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 c1ccc(cc1)[*:1] COCCCNC(=O)c1cn(C)cc2-c1nn(c2=O)[*:1]
COCCCNC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 COCCC[*:1] Cn1cc(C(=O)N[*:1])c2nn(-c3ccccc3)c(=O)c-2c1
Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)c1ccccc1Cl Clc1ccccc1[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)[*:1]
COc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])[C@@H]4C=C[C@H]3C4)cc2)c1 O=C([O-])[*:1] COc1cccc(c1)C(=O)Nc1ccc(cc1)NC(=O)[C@@H]1[C@@H]([C@@H]2C=C[C@H]1C2)[*:1]
COc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])[C@@H]4C=C[C@H]3C4)cc2)c1 COc1cccc(c1)[*:1] O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(cc1)NC(=O)[*:1]
Cc1cnc(S(=O)(=O)Cc2csc(C(C)(C)C)n2)nc1 CC(C)(C)[*:1] Cc1cnc(nc1)S(=O)(=O)Cc1csc(n1)[*:1]
COc1ccc(-c2c(C)oc3c(C[NH+](C)C)c(=O)ccc-3c2O)cc1 COc1ccc(cc1)[*:1] Cc1oc2-c(ccc(=O)c2C[NH+](C)C)c(O)c1[*:1]
CCNC(=O)NC1(C(=O)Nc2cccc(C)c2Cl)CCCC1 CCNC(=O)N[*:1] Cc1cccc(NC(=O)C2(CCCC2)[*:1])c1Cl
CC(C)[C@@H](NCc1ncnn1C)c1cccnc1 Cn1ncnc1[*:1] CC(C)[C@@H](NC[*:1])c1cccnc1
CC(C)[C@@H](NCc1ncnn1C)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H](NCc1ncnn1C)[*:1]
CC(C)[C@@H](NCc1ncnn1C)c1cccnc1 CC(C)[*:1] Cn1ncnc1CN[C@@H](c1cccnc1)[*:1]
COc1ccc(OC)c([C@@H]2C3=C([O-])CCCC3=NC3=NC(SCc4ccc(C)cc4)=NC(=O)[C@@H]32)c1 Cc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@@H]1C2C(CCCC=2[O-])=NC2=NC(=NC(=O)[C@@H]21)SC[*:1]
COc1ccc(OC)c([C@@H]2C3=C([O-])CCCC3=NC3=NC(SCc4ccc(C)cc4)=NC(=O)[C@@H]32)c1 Cc1ccc(cc1)C[*:1] COc1ccc(OC)c(c1)[C@@H]1C2C(CCCC=2[O-])=NC2=NC(=NC(=O)[C@@H]21)S[*:1]
COc1ccc(OC)c([C@@H]2C3=C([O-])CCCC3=NC3=NC(SCc4ccc(C)cc4)=NC(=O)[C@@H]32)c1 COc1ccc(OC)c(c1)[*:1] Cc1ccc(cc1)CSC1=NC(=O)[C@H]2C(N=C3CCCC([O-])=C3[C@H]2[*:1])=N1
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(cc1)NC(=O)[*:1]
CS(=O)(=O)N1CCCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c21 O=[N+]([O-])[*:1] CS(=O)(=O)N1CCCc2cc(cc(c21)[N+](=O)[O-])[*:1]
CS(=O)(=O)N1CCCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c21 O=[N+]([O-])[*:1] CS(=O)(=O)N1CCCc2cc(cc(c21)[*:1])[N+](=O)[O-]
O=C(CN1CCN(c2ccccc2F)C1=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CN1CCN(C1=O)c1ccccc1F)N[*:1]
O=C(CN1CCN(c2ccccc2F)C1=O)Nc1ccc(F)cc1F Fc1ccccc1[*:1] O=C(CN1CCN(C1=O)[*:1])Nc1ccc(F)cc1F
COC(=O)c1c(NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)nn1C c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)COc2ccc(cc2)[*:1])c(C)nn1C
COC(=O)c1c(NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)nn1C COC(=O)[*:1] Cc1nn(C)c(c1NC(=O)COc1ccc(cc1)-c1ccccc1)[*:1]
CCCOc1ccc(CC)cc1[C@@H](N)C[NH3+] CCC[*:1] CCc1ccc(O[*:1])c(c1)[C@@H](N)C[NH3+]
CCCOc1ccc(CC)cc1[C@@H](N)C[NH3+] CCCO[*:1] CCc1ccc(c(c1)[C@@H](N)C[NH3+])[*:1]
CC(C)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 CC(C)[*:1] C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)[*:1]
CC(C)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[*:1]
CC(C)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 CC(C)[C@H](C)[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N[*:1])c1ccccc1
CC(C)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 c1ccc(cc1)C[*:1] CC(C)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)[*:1]
CC(C)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C)NC(=O)[C@@H](C[*:1])NC(=O)c1ccccc1
CC(C)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 CC(C)[C@H](C)NC(=O)[*:1] O=C(N[C@H](Cc1ccccc1)[*:1])c1ccccc1
C/C=C/COC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F CC=C[*:1] O=C(OC[*:1])[C@H]1CCCN1C(=O)c1ccccc1OC(F)F
C/C=C/COC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F FC(F)O[*:1] C/C=C/COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[*:1]
C/C=C/COC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F FC(F)[*:1] C/C=C/COC(=O)[C@H]1CCCN1C(=O)c1ccccc1O[*:1]
C/C=C/COC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F C/C=C/C[*:1] O=C(O[*:1])[C@H]1CCCN1C(=O)c1ccccc1OC(F)F
C/C=C/COC(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F C/C=C/COC(=O)[*:1] O=C(c1ccccc1OC(F)F)N1CCC[C@@H]1[*:1]
C[C@H]1c2ccccc2O[C@H]1C(=O)OCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1c2ccccc2O[C@H]1C(=O)OCc1nccn1C[*:1]
C[C@H]1c2ccccc2O[C@H]1C(=O)OCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1c2ccccc2O[C@H]1C(=O)OCc1nccn1[*:1]
C[C@@]1(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)Cc2ccccc2C(=O)O1 O=C(NC1CC1)[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@]1(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)Cc2ccccc2C(=O)O1 C1CC1[*:1] C[C@]1(Cc2ccccc2C(=O)O1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1nc(NCCn2nc(C)nc2C)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1 Cc1nc(C)n(CC[*:1])n1 Cc1nc(cc(n1)[C@@H](C)Cn1nc(C)c(C)c1C)N[*:1]
Cc1nc(NCCn2nc(C)nc2C)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1 Cc1nn(C[*:1])c(C)c1C Cc1nc(cc(n1)[C@@H](C)[*:1])NCCn1nc(C)nc1C
Cc1nc(NCCn2nc(C)nc2C)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1 Cc1nc(C)n(C[*:1])n1 Cc1nc(cc(n1)[C@@H](C)Cn1nc(C)c(C)c1C)NC[*:1]
Cc1nc(NCCn2nc(C)nc2C)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1 Cc1nn(c(C)c1C)[*:1] Cc1nc(cc(n1)[C@@H](C)C[*:1])NCCn1nc(C)nc1C
Cc1nc(NCCn2nc(C)nc2C)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1 Cc1nc(C)n(n1)[*:1] Cc1nc(cc(n1)[C@@H](C)Cn1nc(C)c(C)c1C)NCC[*:1]
Cc1ccc(C)n1-c1sccc1C(=O)NCCc1ccccn1 c1ccc(C[*:1])nc1 Cc1ccc(C)n1-c1sccc1C(=O)NC[*:1]
Cc1ccc(C)n1-c1sccc1C(=O)NCCc1ccccn1 c1ccc(nc1)[*:1] Cc1ccc(C)n1-c1sccc1C(=O)NCC[*:1]
Cc1ccc(C)n1-c1sccc1C(=O)NCCc1ccccn1 Cc1ccc(C)n1[*:1] O=C(NCCc1ccccn1)c1ccsc1[*:1]
Cc1cnc(NC(=O)c2ccc([N+](=O)[O-])s2)s1 O=[N+]([O-])[*:1] Cc1cnc(NC(=O)c2ccc(s2)[*:1])s1
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC1CCC(C(=O)N2CCC(C(=O)[O-])CC2)CC1 O=C([O-])[*:1] O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC1CCC(C(=O)N2CCC(C(=O)[O-])CC2)CC1 O=C([O-])C1CCN(CC1)C(=O)[*:1] O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC1CCC(CC1)[*:1]
[NH3+]Cc1ccc(S(=O)(=O)NCc2cccs2)s1 c1csc(c1)[*:1] [NH3+]Cc1ccc(s1)S(=O)(=O)NC[*:1]
C=C(C)C[C@H]([NH2+]CCC)c1ccc(C)cc1 C=C(C)C[*:1] CCC[NH2+][C@H](c1ccc(C)cc1)[*:1]
C=C(C)C[C@H]([NH2+]CCC)c1ccc(C)cc1 C=C(C)[*:1] CCC[NH2+][C@@H](C[*:1])c1ccc(C)cc1
C=C(C)C[C@H]([NH2+]CCC)c1ccc(C)cc1 CCC[*:1] C=C(C)C[C@H]([NH2+][*:1])c1ccc(C)cc1
O=C(c1ccc(F)cc1Cl)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 Fc1ccc(c(Cl)c1)[*:1] O=C1Nc2ccccc2[C@]12CCCN(C2)C(=O)[*:1]
CC[C@H]1CCCC[C@@H]1Nc1cc(C)nc(COC)n1 COC[*:1] CC[C@H]1CCCC[C@@H]1Nc1cc(C)nc(n1)[*:1]
O=S(=O)(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1F Fc1ccccc1[*:1] O=S(=O)(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
O=S(=O)(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1F Fc1ccc(cc1)[*:1] O=S(=O)(N[C@H](CC(F)(F)F)[*:1])c1ccccc1F
O=S(=O)(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1F FC(F)(F)[*:1] O=S(=O)(N[C@H](C[*:1])c1ccc(F)cc1)c1ccccc1F
O=S(=O)(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1F FC(F)(F)C[*:1] O=S(=O)(N[C@H](c1ccc(F)cc1)[*:1])c1ccccc1F
CCc1cc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)on1 CCc1cc(C[*:1])on1 Cn1c(=O)c2c(ncn2CC(=O)N[*:1])n(C)c1=O
CCc1cc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)on1 CCc1cc(on1)[*:1] Cn1c(=O)c2c(ncn2CC(=O)NC[*:1])n(C)c1=O
C[C@H](OC(=O)[C@@H](C)OCc1ccccc1)c1cccc(C#N)c1 c1ccc(cc1)C[*:1] C[C@H](OC(=O)[C@@H](C)O[*:1])c1cccc(C#N)c1
C[C@H](OC(=O)[C@@H](C)OCc1ccccc1)c1cccc(C#N)c1 c1ccc(cc1)[*:1] C[C@H](OC(=O)[C@@H](C)OC[*:1])c1cccc(C#N)c1
CO[C@@]1(C)C[C@H](NC(=O)CCCNC(=O)c2ccco2)C1(C)C c1coc(c1)[*:1] CO[C@@]1(C)C[C@H](NC(=O)CCCNC(=O)[*:1])C1(C)C
O=C(NC1CC1)c1coc(Br)c1 C1CC1[*:1] O=C(N[*:1])c1coc(Br)c1
CC[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)c1cccc(c1)C[NH+]1CCCC1)[*:1]
Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5cccc[nH+]5)CC4)C3)ccc21 Cn1ccc2cc(ccc21)[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)[*:1])N1CCN(CC1)c1cccc[nH+]1
O=C(C[NH2+]C1CCCCC1)Nc1ccc(F)c(Cl)c1 C1CCC(CC1)[*:1] O=C(C[NH2+][*:1])Nc1ccc(F)c(Cl)c1
CN1CCN(C(=O)Cc2cccc(O)c2)Cc2ccccc21 Oc1cccc(c1)[*:1] CN1CCN(Cc2ccccc21)C(=O)C[*:1]
C[C@H]1CCc2sc3nc(C(C)(C)C)n(N)c(=O)c3c2C1 CC(C)(C)[*:1] C[C@H]1CCc2sc3nc(n(N)c(=O)c3c2C1)[*:1]
CC(C)CC1(C[NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)CCCC1 CC(C)C[*:1] C1=C[C@H]2[C@H](C1)C[C@H]2[NH2+]CC1(CCCC1)[*:1]
CC(C)CC1(C[NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)CCCC1 CC(C)[*:1] C1=C[C@H]2[C@H](C1)C[C@H]2[NH2+]CC1(CCCC1)C[*:1]
COCC[C@@H](C)C(=O)NCc1cn2cc(Cl)ccc2n1 COCC[*:1] C[C@@H](C(=O)NCc1cn2cc(Cl)ccc2n1)[*:1]
COCC[C@@H](C)C(=O)NCc1cn2cc(Cl)ccc2n1 COC[*:1] C[C@H](C[*:1])C(=O)NCc1cn2cc(Cl)ccc2n1
COCC[C@@H](C)C(=O)NCc1cn2cc(Cl)ccc2n1 COCC[C@@H](C)[*:1] O=C(NCc1cn2cc(Cl)ccc2n1)[*:1]
CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(C)cc1F COC(=O)[*:1] CCN(c1ccccc1[*:1])S(=O)(=O)c1ccc(C)cc1F
CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(C)cc1F Cc1ccc(c(F)c1)[*:1] CCN(c1ccccc1C(=O)OC)S(=O)(=O)[*:1]
C=C(C)CN(CC)C(=O)NCc1cccnc1 C=C(C)C[*:1] CCN(C(=O)NCc1cccnc1)[*:1]
C=C(C)CN(CC)C(=O)NCc1cccnc1 C=C(C)[*:1] CCN(C[*:1])C(=O)NCc1cccnc1
COC(=O)[C@H](C)N(C(=O)c1sc(C2CCCC2)nc1C)C1CC1 C1CC1[*:1] COC(=O)[C@H](C)N(C(=O)c1sc(nc1C)C1CCCC1)[*:1]
COC(=O)[C@H](C)N(C(=O)c1sc(C2CCCC2)nc1C)C1CC1 C1CCC(C1)[*:1] COC(=O)[C@H](C)N(C(=O)c1sc(nc1C)[*:1])C1CC1
COC(=O)[C@H](C)N(C(=O)c1sc(C2CCCC2)nc1C)C1CC1 COC(=O)[*:1] Cc1nc(sc1C(=O)N(C1CC1)[C@@H](C)[*:1])C1CCCC1
COC(=O)[C@H](C)N(C(=O)c1sc(C2CCCC2)nc1C)C1CC1 COC(=O)[C@H](C)[*:1] Cc1nc(sc1C(=O)N(C1CC1)[*:1])C1CCCC1
COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)C[C@H]2CCCO2)C1=O C1CO[C@H](C1)[*:1] COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)C[*:1])C1=O
COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)C[C@H]2CCCO2)C1=O C1CO[C@H](C1)C[*:1] COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)[*:1])C1=O
CSc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 CSc1ccccc1[*:1] O=C(N[*:1])c1ccc(o1)-c1ccc(cc1)[N+](=O)[O-]
CSc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] CSc1ccccc1NC(=O)c1ccc(o1)-c1ccc(cc1)[*:1]
COc1ccc(C(=O)NCCNC(=O)N2CCC[C@H](C)CC2)cc1 COc1ccc(cc1)[*:1] C[C@H]1CCCN(CC1)C(=O)NCCNC(=O)[*:1]
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cc(-c3ccc(F)cc3)[nH]n2)n1N COc1ccc(C)cc1[*:1] Nn1c(nnc1-c1cc([nH]n1)-c1ccc(F)cc1)SCC(=O)N[*:1]
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cc(-c3ccc(F)cc3)[nH]n2)n1N Fc1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cc([nH]n2)[*:1])n1N
COc1cc(OC)cc([C@H](O)CNc2cncc(Br)c2)c1 Brc1cncc(c1)[*:1] COc1cc(cc(c1)[C@H](O)CN[*:1])OC
C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@H]2CCCC[C@H]2C)c1=O C=CC[*:1] C=CCn1c(=O)n(CC(=O)N[C@H]2CCCC[C@H]2C)c(=O)n(c1=O)[*:1]
C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@@H]1C O=[N+]([O-])[*:1] C[C@@H](CC(=O)Nc1cccc(c1)[*:1])[NH2+][C@H]1CCC[C@@H]1C
Cc1cc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cc(F)cc(F)c2)C3)[nH]n1 Fc1cc(F)cc(c1)[*:1] Cc1cc([nH]n1)C(=O)N1CCC2(CC1)CC(=O)N(C2)C[*:1]
Cc1cc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cc(F)cc(F)c2)C3)[nH]n1 Cc1cc([nH]n1)[*:1] O=C1CC2(CCN(CC2)C(=O)[*:1])CN1Cc1cc(F)cc(F)c1
Cc1cc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cc(F)cc(F)c2)C3)[nH]n1 Fc1cc(F)cc(c1)C[*:1] Cc1cc([nH]n1)C(=O)N1CCC2(CC1)CC(=O)N(C2)[*:1]
Cc1c(NC(=O)C(=O)N[C@H]2C[C@H]2C)cccc1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1c(cccc1C(=O)N[*:1])NC(=O)C(=O)N[C@H]1C[C@H]1C
CC(=O)Nc1ccc(NC(=O)C[NH2+]C(C)(C)c2nc(C)cs2)cc1 Cc1csc(n1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)C[NH2+]C(C)(C)[*:1]
CC(=O)Nc1ccc(NC(=O)C[NH2+]C(C)(C)c2nc(C)cs2)cc1 CC(=O)N[*:1] Cc1csc(n1)C(C)(C)[NH2+]CC(=O)Nc1ccc(cc1)[*:1]
CCCCCN1C(=O)[C@H](C(=O)N/N=C(\C)[C@H]2C(=O)[NH+]=c3ccccc3=C2O)[C@@H](O)c2ccccc21 CCCCC[*:1] C/C(=N\NC(=O)[C@H]1C(=O)N(c2ccccc2[C@@H]1O)[*:1])[C@H]1C(=O)[NH+]=c2ccccc2=C1O
CCCCCN1C(=O)[C@H](C(=O)N/N=C(\C)[C@H]2C(=O)[NH+]=c3ccccc3=C2O)[C@@H](O)c2ccccc21 CCCC[*:1] C/C(=N\NC(=O)[C@H]1C(=O)N(C[*:1])c2ccccc2[C@@H]1O)[C@H]1C(=O)[NH+]=c2ccccc2=C1O
CCCCCN1C(=O)[C@H](C(=O)N/N=C(\C)[C@H]2C(=O)[NH+]=c3ccccc3=C2O)[C@@H](O)c2ccccc21 CCC[*:1] C/C(=N\NC(=O)[C@H]1C(=O)N(CC[*:1])c2ccccc2[C@@H]1O)[C@H]1C(=O)[NH+]=c2ccccc2=C1O
Cc1ccc2ncc(C(=O)N[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)cc3)n2c1 Fc1ccc(cc1)[*:1] Cc1ccc2ncc(C(=O)N[C@H]3CC(=O)N(C)[C@H]3[*:1])n2c1
Cc1sc2ncn(CCC(=O)NCC(N)=O)c(=O)c2c1C NC(=O)[*:1] Cc1sc2ncn(CCC(=O)NC[*:1])c(=O)c2c1C
Cc1sc2ncn(CCC(=O)NCC(N)=O)c(=O)c2c1C NC(=O)C[*:1] Cc1sc2ncn(CCC(=O)N[*:1])c(=O)c2c1C
Cc1sc2ncn(CCC(=O)NCC(N)=O)c(=O)c2c1C NC(=O)CNC(=O)[*:1] Cc1sc2ncn(CC[*:1])c(=O)c2c1C
O=C(NCc1ccccc1CN1CCOCC1)c1ccc2[nH]cnc2c1 C1CN(CCO1)[*:1] O=C(NCc1ccccc1C[*:1])c1ccc2[nH]cnc2c1
O=C(NCc1ccccc1CN1CCOCC1)c1ccc2[nH]cnc2c1 C1CN(CCO1)C[*:1] O=C(NCc1ccccc1[*:1])c1ccc2[nH]cnc2c1
CS(=O)(=O)Nc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 CS(=O)(=O)N[*:1] O=C(Nc1ccc(cc1)[*:1])C1=Cc2ccccc2OC1
CCCNc1c(C)c(C)[nH+]c2c(I)cc(F)cc12 CCC[*:1] Cc1[nH+]c2c(I)cc(F)cc2c(N[*:1])c1C
CCCNc1c(C)c(C)[nH+]c2c(I)cc(F)cc12 CCCN[*:1] Cc1[nH+]c2c(I)cc(F)cc2c(c1C)[*:1]
O=S(=O)(c1ccc(Cl)nc1)N1CCc2sccc2[C@H]1c1cccs1 Clc1ccc(cn1)[*:1] O=S(=O)(N1CCc2sccc2[C@H]1c1cccs1)[*:1]
O=S(=O)(c1ccc(Cl)nc1)N1CCc2sccc2[C@H]1c1cccs1 c1csc(c1)[*:1] O=S(=O)(c1ccc(Cl)nc1)N1CCc2sccc2[C@@H]1[*:1]
Cn1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)ccc1=O O=C(N1CCCC1)[*:1] Cn1cc(ccc1=O)C(=O)Nc1ccc(cc1)[*:1]
Cn1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)ccc1=O Cn1cc(ccc1=O)[*:1] O=C(c1ccc(cc1)NC(=O)[*:1])N1CCCC1
CCOC(=O)C1=C(COC)Nc2ncnn2[C@H]1c1cccc2ccccc12 CCOC(=O)[*:1] COCC1Nc2ncnn2[C@H](C=1[*:1])c1cccc2ccccc12
CCOC(=O)C1=C(COC)Nc2ncnn2[C@H]1c1cccc2ccccc12 COC[*:1] CCOC(=O)C1=C(Nc2ncnn2[C@H]1c1cccc2ccccc12)[*:1]
COCCNC(=O)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1 COCC[*:1] O=C(NCC1CCN(CC1)c1nc2ccccc2s1)C(=O)N[*:1]
COCCNC(=O)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1 COC[*:1] O=C(NCC1CCN(CC1)c1nc2ccccc2s1)C(=O)NC[*:1]
O=C(CCn1ccccc1=O)N1CC=C(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(CCn1ccccc1=O)N1CC=C(CC1)[*:1]
O=C(CCn1ccccc1=O)N1CC=C(c2ccc(Cl)cc2)CC1 O=c1ccccn1C[*:1] O=C(C[*:1])N1CC=C(CC1)c1ccc(Cl)cc1
O=C(CCn1ccccc1=O)N1CC=C(c2ccc(Cl)cc2)CC1 O=c1ccccn1[*:1] O=C(CC[*:1])N1CC=C(CC1)c1ccc(Cl)cc1
CNc1nc(-c2cncn2C2CC2)nc(C)c1C C1CC1[*:1] CNc1nc(nc(C)c1C)-c1cncn1[*:1]
CSCC(=O)NNC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 CSC[*:1] O=C(NNC(=O)[*:1])N[C@@H]1CCN(C1)c1ccc(F)cc1F
C[C@H](Sc1nnc(-c2cncc(Br)c2)n1N)C(N)=O C[C@H](S[*:1])C(N)=O Nn1c(nnc1[*:1])-c1cncc(Br)c1
C[C@H](Sc1nnc(-c2cncc(Br)c2)n1N)C(N)=O C[C@H](C(N)=O)[*:1] Nn1c(nnc1-c1cncc(Br)c1)S[*:1]
C[C@H](Sc1nnc(-c2cncc(Br)c2)n1N)C(N)=O NC(=O)[*:1] C[C@H](Sc1nnc(-c2cncc(Br)c2)n1N)[*:1]
CCc1ccccc1NC(=O)Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccccc21 CCc1ccccc1[*:1] O=C(Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccccc21)N[*:1]
CCCc1nn(Cc2cc(C)nc3ccccc23)c(=O)o1 CCC[*:1] Cc1cc(Cn2nc(oc2=O)[*:1])c2ccccc2n1
COC(=O)[C@@]1([NH3+])CCC[C@@H](n2nc(C)cc2C)C1 COC(=O)[*:1] Cc1cc(C)n(n1)[C@@H]1CCC[C@]([NH3+])(C1)[*:1]
Cc1ccc(-c2nnc(SCCCC(=O)Nc3ccccc3C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CCCSc1nnc(o1)[*:1]
Cc1ccc(-c2nnc(SCCCC(=O)Nc3ccccc3C)o2)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)-c1nnc(o1)SCCCC(=O)N[*:1]
CN(C)/C=C(\C#N)c1nnc(N(C)C)o1 CN(C)[*:1] CN(C)c1nnc(o1)C(C#N)=C[*:1]
CN(C)/C=C(\C#N)c1nnc(N(C)C)o1 CN(C)[*:1] CN(C)/C=C(\C#N)c1nnc(o1)[*:1]
C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCOCC1)C(=O)Nc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)c1cccc(F)c1)C(=O)N[*:1]
C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCOCC1)C(=O)Nc1cccc(C#N)c1 Fc1cccc(c1)[*:1] C[C@@H]([NH2+]CC1(CCOCC1)[*:1])C(=O)Nc1cccc(C#N)c1
C=CCN(Cc1cccc(OC)c1)C(=O)c1ccc2[nH]ccc2c1 C=CC[*:1] COc1cccc(c1)CN(C(=O)c1ccc2[nH]ccc2c1)[*:1]
C=CCN(Cc1cccc(OC)c1)C(=O)c1ccc2[nH]ccc2c1 COc1cccc(c1)[*:1] C=CCN(C[*:1])C(=O)c1ccc2[nH]ccc2c1
Cn1cc(CNC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cn1 c1ccc(cc1)C[*:1] Cn1cc(cn1)CNC(=O)/C=C/c1cn(nc1-c1cccnc1)[*:1]
Cn1cc(CNC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cn1 Cn1cc(cn1)CNC(=O)[*:1] C(=C[*:1])c1cn(Cc2ccccc2)nc1-c1cccnc1
Cn1cc(CNC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cn1 Cn1cc(cn1)C[*:1] O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)N[*:1]
Cn1cc(CNC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cn1 Cn1cc(cn1)[*:1] O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)NC[*:1]
Cn1cc(CNC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cn1 c1cncc(c1)[*:1] Cn1cc(cn1)CNC(=O)/C=C/c1cn(Cc2ccccc2)nc1[*:1]
Cn1cc(CNC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)CNC(=O)/C=C/c1cn(C[*:1])nc1-c1cccnc1
Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(C)o2)n1 Cc1noc(n1)[*:1] Cc1ccc(o1)C(=O)N1CCCC[C@H]1[*:1]
Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(C)o2)n1 Cc1ccc(o1)[*:1] Cc1noc(n1)[C@@H]1CCCCN1C(=O)[*:1]
CCCCc1c(N2CCN([C@@H]3CC[NH2+]C3)CC2)nc(N)[nH+]c1C CCC[*:1] Cc1[nH+]c(N)nc(c1C[*:1])N1CCN(CC1)[C@@H]1CC[NH2+]C1
CCCCc1c(N2CCN([C@@H]3CC[NH2+]C3)CC2)nc(N)[nH+]c1C CCCC[*:1] Cc1[nH+]c(N)nc(c1[*:1])N1CCN(CC1)[C@@H]1CC[NH2+]C1
Cc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CS(=O)(=O)N1CC[C@@H](Oc2ccccc21)C(=O)N[*:1]
O=C(CCSc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CCSc1ccccc1)N/N=C/c1ccccc1[*:1]
O=C(CCSc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] c1ccc(cc1)S[*:1] O=C(CC[*:1])N/N=C/c1ccccc1[N+](=O)[O-]
O=C(CCSc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(CCS[*:1])N/N=C/c1ccccc1[N+](=O)[O-]
O=C(c1ccc(Br)o1)N1CCC2=C(C1)[C@H](c1ccc(F)cc1)[NH+]=N2 Brc1ccc(o1)[*:1] O=C(N1CCC2N=[NH+][C@H](C=2C1)c1ccc(F)cc1)[*:1]
O=C(c1ccc(Br)o1)N1CCC2=C(C1)[C@H](c1ccc(F)cc1)[NH+]=N2 Fc1ccc(cc1)[*:1] O=C(c1ccc(Br)o1)N1CCC2N=[NH+][C@@H](C=2C1)[*:1]
CCN(CCC#N)C(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)S[*:1] CCN(CCC#N)C(=O)Nc1ccccc1[*:1]
CCN(CCC#N)C(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)[*:1] CCN(CCC#N)C(=O)Nc1ccccc1S[*:1]
CCN(CCC#N)C(=O)Nc1ccccc1SC1CCCC1 N#CCC[*:1] CCN(C(=O)Nc1ccccc1SC1CCCC1)[*:1]
CCN(CCC#N)C(=O)Nc1ccccc1SC1CCCC1 N#CC[*:1] CCN(C[*:1])C(=O)Nc1ccccc1SC1CCCC1
Cc1csc(-c2ccc(C(=O)Nc3cc(C(C)C)on3)cc2)n1 Cc1csc(n1)[*:1] CC(C)c1cc(no1)NC(=O)c1ccc(cc1)[*:1]
Cc1csc(-c2ccc(C(=O)Nc3cc(C(C)C)on3)cc2)n1 CC(C)[*:1] Cc1csc(n1)-c1ccc(cc1)C(=O)Nc1cc(on1)[*:1]
C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)[*:1]
C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@H]([NH2+]C[C@H](O)CO[*:1])c1ccccc1
CCN(C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)C1CC1 CCN(C(=O)[*:1])C1CC1 O=c1[nH]c(CN2CCO[C@H](C2)[*:1])nc2ccccc12
CCN(C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)C1CC1 C1CC1[*:1] CCN(C(=O)[C@H]1CN(CCO1)Cc1nc2ccccc2c(=O)[nH]1)[*:1]
Clc1csc(C[NH2+]Cc2nnc3ccccn23)c1 Clc1csc(c1)[*:1] c1ccn2c(C[NH2+]C[*:1])nnc2c1
Cc1c(C#N)c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)n(-c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1c(C#N)c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)n(c1C)[*:1]
Cc1cccc(CNC(=O)Cc2c[nH]c3cc(F)ccc23)n1 Cc1cccc(n1)[*:1] O=C(Cc1c[nH]c2cc(F)ccc12)NC[*:1]
C[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1F FC(F)(F)[*:1] C[C@@H](NCC(=O)Nc1cc(ccc1-n1cncn1)[*:1])c1ccc(F)cc1F
C[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1F c1ncn(n1)[*:1] C[C@@H](NCC(=O)Nc1cc(ccc1[*:1])C(F)(F)F)c1ccc(F)cc1F
C[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H](NCC(=O)Nc1cc(ccc1-n1cncn1)C(F)(F)F)[*:1]
CC(=O)n1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 Clc1ccc(cc1)[*:1] CC(=O)n1cc(/C=N/NC(=O)[*:1])c2ccccc21
COCc1cccc(C(=O)Nc2ccc(N(C)C)nc2)c1 COC[*:1] CN(C)c1ccc(cn1)NC(=O)c1cccc(c1)[*:1]
COCc1cccc(C(=O)Nc2ccc(N(C)C)nc2)c1 CN(C)[*:1] COCc1cccc(c1)C(=O)Nc1ccc(nc1)[*:1]
Cc1c(C(=O)Nc2ccc(CC(N)=O)cc2)cccc1[N+](=O)[O-] NC(=O)C[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)[*:1]
Cc1c(C(=O)Nc2ccc(CC(N)=O)cc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)Nc1ccc(cc1)CC(N)=O
Cc1c(C(=O)Nc2ccc(CC(N)=O)cc2)cccc1[N+](=O)[O-] NC(=O)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)C[*:1]
O=C(COc1ccccc1)Nc1ccc2ccccc2c1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccc2ccccc2c1
O=C(COc1ccccc1)Nc1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc2ccccc2c1
C[C@H](SCc1ccc(Cl)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O Clc1ccc(cc1)[*:1] C[C@H](SC[*:1])C(=O)c1c(N)n(C)c(=O)n(C)c1=O
C[C@H](SCc1ccc(Cl)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O Clc1ccc(cc1)C[*:1] C[C@H](S[*:1])C(=O)c1c(N)n(C)c(=O)n(C)c1=O
COCCN(Cc1ccco1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 COC[*:1] O=C(N[C@@H]1CCC[C@@H](C1)C1CC1)N(Cc1ccco1)C[*:1]
COCCN(Cc1ccco1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 c1coc(c1)C[*:1] COCCN(C(=O)N[C@@H]1CCC[C@@H](C1)C1CC1)[*:1]
COCCN(Cc1ccco1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] COCCN(Cc1ccco1)C(=O)N[C@@H]1CCC[C@H](C1)[*:1]
COCCN(Cc1ccco1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 COCC[*:1] O=C(N[C@@H]1CCC[C@@H](C1)C1CC1)N(Cc1ccco1)[*:1]
COCCN(Cc1ccco1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 c1coc(c1)[*:1] COCCN(C[*:1])C(=O)N[C@@H]1CCC[C@@H](C1)C1CC1
CCn1cc(C#N)c(=O)n(CC(=O)C2CCOCC2)c1=O C1CC(CCO1)[*:1] CCn1cc(C#N)c(=O)n(CC(=O)[*:1])c1=O
O=c1nc(N2CCOCC2)ccn1C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=c1nc(ccn1C(c1ccccc1)[*:1])N1CCOCC1
O=c1nc(N2CCOCC2)ccn1C(c1ccccc1)c1ccccc1 C1CN(CCO1)[*:1] O=c1nc(ccn1C(c1ccccc1)c1ccccc1)[*:1]
N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc(Br)cc1
N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 Brc1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2CC[NH+](CC(=O)N/N=C/c3cc(Br)ccc3F)CC2)cc1 Fc1ccc(Br)cc1[*:1] Cc1ccc(cc1)CN1CC[NH+](CC1)CC(=O)NN=C[*:1]
Cc1ccc(CN2CC[NH+](CC(=O)N/N=C/c3cc(Br)ccc3F)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])N/N=C/c1cc(Br)ccc1F
Cc1ccc(CN2CC[NH+](CC(=O)N/N=C/c3cc(Br)ccc3F)CC2)cc1 Cc1ccc(cc1)C[*:1] O=C(C[NH+]1CCN(CC1)[*:1])N/N=C/c1cc(Br)ccc1F
C[C@@H]1CCN(C(=O)CN2CCCOC2=O)[C@H]2CCCC[C@@H]21 O=C1OCCCN1[*:1] C[C@@H]1CCN(C(=O)C[*:1])[C@H]2CCCC[C@@H]21
CC[C@H]1CS/C(=N/c2ccc(C)cc2C)N1C(=O)CCN1C(=O)NC2(CCCCC2)C1=O Cc1ccc(c(C)c1)[*:1] CC[C@H]1CSC(=N[*:1])N1C(=O)CCN1C(=O)NC2(CCCCC2)C1=O
CCOC(=O)[C@H](Oc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H](O[*:1])c1ccccc1
CCOC(=O)[C@H](Oc1ccccc1)c1ccccc1 CCOC(=O)[*:1] c1ccc(cc1)O[C@H](c1ccccc1)[*:1]
CCOC(=O)[C@H](Oc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H](Oc1ccccc1)[*:1]
C[C@H](NC(=O)N1CCCCCC1)c1ccc(NC(=O)NC2CC2)cc1 C1CC1[*:1] C[C@H](NC(=O)N1CCCCCC1)c1ccc(cc1)NC(=O)N[*:1]
C[C@H](NC(=O)N1CCCCCC1)c1ccc(NC(=O)NC2CC2)cc1 O=C(NC1CC1)N[*:1] C[C@H](NC(=O)N1CCCCCC1)c1ccc(cc1)[*:1]
C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccccc1[*:1]
C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccccc1OC(F)(F)F FC(F)(F)[*:1] C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccccc1O[*:1]
O=S(=O)(NCCS(=O)(=O)N1CCc2ccccc21)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=S(=O)(CCNS(=O)(=O)[*:1])N1CCc2ccccc21
COc1cccc(NC2CCN(C(=O)c3ccc(C)cc3C)CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(C(=O)N2CCC(CC2)N[*:1])c(C)c1
COc1cccc(NC2CCN(C(=O)c3ccc(C)cc3C)CC2)c1 Cc1ccc(c(C)c1)[*:1] COc1cccc(c1)NC1CCN(CC1)C(=O)[*:1]
C[C@@H]1CN(C(=O)CSc2nnc(C3CC3)n2Cc2ccco2)C[C@@H](C)O1 C1CC1[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1nnc(n1Cc1ccco1)[*:1]
C[C@@H]1CN(C(=O)CSc2nnc(C3CC3)n2Cc2ccco2)C[C@@H](C)O1 c1coc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1nnc(C2CC2)n1C[*:1]
C[C@@H]1CN(C(=O)CSc2nnc(C3CC3)n2Cc2ccco2)C[C@@H](C)O1 c1coc(c1)C[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)CSc1nnc(C2CC2)n1[*:1]
Clc1ccccc1CSc1nncn2c1cc1occc12 Clc1ccccc1[*:1] c1cc2c(cc3c(nncn32)SC[*:1])o1
C[C@H]1CCCCN1C(=O)CO/N=C(/N)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)CO/N=C(/N)C[*:1]
C[C@H]1CCCCN1C(=O)CO/N=C(/N)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1CCCCN1C(=O)CO/N=C(/N)[*:1]
Cn1c([O-])c2ccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2nc1=S FC(F)(F)[*:1] Cn1c([O-])c2ccc(cc2nc1=S)C(=O)Nc1cc(cc(c1)[*:1])C(F)(F)F
CC1=CC(C)(C)N2C(=O)[C@@]3(S[C@@H](C)C(=O)N3c3ccccc3)c3cc(C)cc1c32 c1ccc(cc1)[*:1] CC1=CC(C)(C)N2C(=O)[C@@]3(S[C@@H](C)C(=O)N3[*:1])c3cc(C)cc1c32
[NH3+]CCSCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl [NH3+]CC[*:1] O=C(CS[*:1])N[C@H]1CS(=O)(=O)C[C@H]1Cl
[NH3+]CCSCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl [NH3+]CCS[*:1] O=C(C[*:1])N[C@H]1CS(=O)(=O)C[C@H]1Cl
[NH3+]CCSCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl [NH3+]CCSC[*:1] O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)[*:1]
O=C(CC1CCCCC1)NCCNC(=O)C1=Cc2cc(F)ccc2OC1 C1CCC(CC1)C[*:1] O=C(NCCNC(=O)[*:1])C1=Cc2cc(F)ccc2OC1
O=C(CC1CCCCC1)NCCNC(=O)C1=Cc2cc(F)ccc2OC1 C1CCC(CC1)[*:1] O=C(C[*:1])NCCNC(=O)C1=Cc2cc(F)ccc2OC1
CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 CC(C)(C)[*:1] O=C(COC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)NC(=O)N[*:1]
CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(c(c1)[*:1])N1CCCC1
CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 C1CCN(C1)[*:1] CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CC(=O)NCCCC(=O)Oc1ccc(Cl)cc1C CC(=O)N[*:1] Cc1cc(Cl)ccc1OC(=O)CCC[*:1]
CC(=O)NCCCC(=O)Oc1ccc(Cl)cc1C CC(=O)NCC[*:1] Cc1cc(Cl)ccc1OC(=O)C[*:1]
CC(=O)NCCCC(=O)Oc1ccc(Cl)cc1C CC(=O)NC[*:1] Cc1cc(Cl)ccc1OC(=O)CC[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 Brc1ccccc1[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)C=C[*:1]
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)/C=C/c1ccccc1Br
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 Brc1ccccc1C=C[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)[*:1]
Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])[C@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1
Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1C c1ccc(cc1)[*:1] Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC[*:1])c1C
Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1C c1ccc(cc1)C[*:1] Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)O[*:1])c1C
COCc1cccc(O[C@@H](F)C(=O)[O-])c1 COC[*:1] O=C([O-])[C@H](F)Oc1cccc(c1)[*:1]
COCc1cccc(O[C@@H](F)C(=O)[O-])c1 O=C([O-])[*:1] COCc1cccc(c1)O[C@@H](F)[*:1]
O=C(CC1CCCC1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 C1CCC(C1)C[*:1] O=C(NC[C@@H](O)c1ccc(cc1)C(F)(F)F)[*:1]
O=C(CC1CCCC1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(CC1CCCC1)NC[C@@H](O)c1ccc(cc1)[*:1]
O=C(CC1CCCC1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 C1CCC(C1)[*:1] O=C(C[*:1])NC[C@@H](O)c1ccc(cc1)C(F)(F)F
CCCNC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)CC1 CCCNC(=O)[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(CC1)C[*:1]
CCCNC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)CC1 CCCNC(=O)C[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(CC1)[*:1]
CCCNC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)CC1 Cc1cc(Cl)ccc1[*:1] CCCNC(=O)CN1CCN(CC1)C(=O)[C@H](C)O[*:1]
CCCNC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)CC1 CCC[*:1] Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(CC1)CC(=O)N[*:1]
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCCSCC1 Clc1cccc(c1)[*:1] O=C(N[C@@H]1CCN(C1=O)[*:1])N1CCCSCC1
C=CCn1c(SCC(=O)Nc2ccc(O)cc2)nc2sc(C)c(C)c2c1=O C=CC[*:1] Cc1sc2nc(SCC(=O)Nc3ccc(O)cc3)n(c(=O)c2c1C)[*:1]
C=CCn1c(SCC(=O)Nc2ccc(O)cc2)nc2sc(C)c(C)c2c1=O Oc1ccc(cc1)[*:1] C=CCn1c(nc2sc(C)c(C)c2c1=O)SCC(=O)N[*:1]
COc1ccc(F)cc1NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 COc1ccc(F)cc1[*:1] O=C(N[*:1])C(=O)N1CCc2ccc(cc2C1)[N+](=O)[O-]
COc1ccc(F)cc1NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 O=[N+]([O-])[*:1] COc1ccc(F)cc1NC(=O)C(=O)N1CCc2ccc(cc2C1)[*:1]
C[NH2+][C@@H](Cc1nc([C@@H](C)OC)no1)C(C)C CC(C)[*:1] C[NH2+][C@@H](Cc1nc(no1)[C@@H](C)OC)[*:1]
C[NH2+][C@@H](Cc1nc([C@@H](C)OC)no1)C(C)C CO[C@H](C)[*:1] C[NH2+][C@@H](Cc1nc(no1)[*:1])C(C)C
CC(C)COc1ccccc1CNC(=O)c1csc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CC(C)COc1ccccc1CNC(=O)c1csc(c1)[*:1]
CC(C)COc1ccccc1CNC(=O)c1csc(S(N)(=O)=O)c1 CC(C)CO[*:1] NS(=O)(=O)c1cc(cs1)C(=O)NCc1ccccc1[*:1]
CC(C)COc1ccccc1CNC(=O)c1csc(S(N)(=O)=O)c1 CC(C)[*:1] NS(=O)(=O)c1cc(cs1)C(=O)NCc1ccccc1OC[*:1]
CC(C)COc1ccccc1CNC(=O)c1csc(S(N)(=O)=O)c1 CC(C)C[*:1] NS(=O)(=O)c1cc(cs1)C(=O)NCc1ccccc1O[*:1]
NC(=O)c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(Oc2ccc(F)cc2)c(c1)[*:1]
NC(=O)c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 NC(=O)[*:1] O=[N+]([O-])c1cc(ccc1Oc1ccc(F)cc1)[*:1]
COc1ccc(CCNC(=O)Cc2csc(-c3ccncc3)n2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)CCNC(=O)Cc1csc(n1)[*:1]
COc1ccc(CCNC(=O)Cc2csc(-c3ccncc3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1ccncc1)NCC[*:1]
COc1ccc(OC)c(CNc2ncc(-c3ccc(Br)cc3)n2C)c1 Brc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CNc1ncc(n1C)[*:1]
Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@@H]2CC[NH2+]C2)CC1 Cc1ccccc1[*:1] O=C(NCc1ccc[nH+]c1N1CCN(CC1)[*:1])[C@@H]1CC[NH2+]C1
COc1ccc(CN2CCN(C(=O)c3csc(C)n3)CC2)cc1F Cc1nc(cs1)[*:1] COc1ccc(cc1F)CN1CCN(CC1)C(=O)[*:1]
CCOc1cccc(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)c1OC O=C1CCCN1[*:1] CCOc1cccc(/C=C2\N=C(OC2=O)c2ccc(cc2)[*:1])c1OC
CCOc1cccc(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)c1OC CCO[*:1] COc1c(/C=C2\N=C(OC2=O)c2ccc(cc2)N2CCCC2=O)cccc1[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cn1c(nnc1-c1cccnc1)SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)c(C)c1 c1cncc(c1)[*:1] Cc1ccc(NC(=O)CSc2nnc(n2C)[*:1])c(C)c1
C[C@H]1Cc2c(NC(=O)Cc3ccc(-c4ccccc4)cc3)nn(C)c2NC1=O c1ccc(cc1)[*:1] C[C@H]1Cc2c(nn(C)c2NC1=O)NC(=O)Cc1ccc(cc1)[*:1]
Cc1cc2ncc([C@H](C)[NH2+]CCSCc3ccccc3F)c(C)n2n1 Fc1ccccc1C[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)[NH2+]CCS[*:1]
Cc1cc2ncc([C@H](C)[NH2+]CCSCc3ccccc3F)c(C)n2n1 Fc1ccccc1[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)[NH2+]CCSC[*:1]
CC[C@@H](NC(=O)N(C)[C@H](CC)CSC)c1ccc2c(c1)OCCO2 CSC[*:1] CC[C@@H](NC(=O)N(C)[C@H](CC)[*:1])c1ccc2OCCOc2c1
CN(C)c1nc(O)cc([C@H]2CCN(C(=O)Cc3ccccn3)C2)n1 c1ccc(C[*:1])nc1 CN(C)c1nc(O)cc(n1)[C@H]1CCN(C1)C(=O)[*:1]
CN(C)c1nc(O)cc([C@H]2CCN(C(=O)Cc3ccccn3)C2)n1 c1ccc(nc1)[*:1] CN(C)c1nc(O)cc(n1)[C@H]1CCN(C1)C(=O)C[*:1]
CN(C)c1nc(O)cc([C@H]2CCN(C(=O)Cc3ccccn3)C2)n1 CN(C)[*:1] O=C(Cc1ccccn1)N1CC[C@@H](C1)c1cc(O)nc(n1)[*:1]
CCCCN(C(=O)c1cccnc1)[C@@H](C)c1ccccc1 c1cncc(c1)[*:1] CCCCN(C(=O)[*:1])[C@@H](C)c1ccccc1
CCCCN(C(=O)c1cccnc1)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CCCCN(C(=O)c1cccnc1)[C@@H](C)[*:1]
CCCCN(C(=O)c1cccnc1)[C@@H](C)c1ccccc1 CCC[*:1] C[C@@H](c1ccccc1)N(C[*:1])C(=O)c1cccnc1
CCCCN(C(=O)c1cccnc1)[C@@H](C)c1ccccc1 CCCC[*:1] C[C@@H](c1ccccc1)N(C(=O)c1cccnc1)[*:1]
Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 Cc1cccc(C)c1[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCN(C[C@@H](O)COc3cccc4ccccc34)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=S(=O)(N1CCN(CC1)C[C@@H](O)COc1cccc2ccccc12)[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCN(C[C@@H](O)COc3cccc4ccccc34)CC2)c(C)c1 c1ccc2c(cccc2c1)O[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCN(CC1)C[C@@H](O)C[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCN(C[C@@H](O)COc3cccc4ccccc34)CC2)c(C)c1 c1ccc2c(cccc2c1)[*:1] Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCN(CC1)C[C@@H](O)CO[*:1]
CCCc1nnc(NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)s1 CCCc1nnc(s1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc2OCCOc2c1
CCCc1nnc(NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)s1 CCC[*:1] C[C@@H](NC(=O)Nc1nnc(s1)[*:1])c1ccc2OCCOc2c1
O=C(Cc1ccc2ccccc2c1)N[C@H](CO)c1ccccc1F Fc1ccccc1[*:1] O=C(Cc1ccc2ccccc2c1)N[C@H](CO)[*:1]
O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21)Nc1ccc(F)cc1F Fc1ccc(cc1Cl)[*:1] O=C(CN1N=N[C@@H]2C(=O)N(C(=O)[C@@H]21)[*:1])Nc1ccc(F)cc1F
O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CN1N=N[C@@H]2C(=O)N(C(=O)[C@@H]21)c1ccc(F)c(Cl)c1)N[*:1]
Cc1ccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)cc1C Cc1ccc(cc1C)[*:1] CC1CCN(CC1)c1ncnc2c1cnn2[*:1]
Cc1ccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)cc1C CC1CCN(CC1)[*:1] Cc1ccc(cc1C)-n1ncc2c(ncnc21)[*:1]
CSc1ccc(-c2nccn2CCS(=O)(=O)CC(C)C)cc1 CC(C)C[*:1] CSc1ccc(cc1)-c1nccn1CCS(=O)(=O)[*:1]
CSc1ccc(-c2nccn2CCS(=O)(=O)CC(C)C)cc1 CC(C)CS(=O)(=O)[*:1] CSc1ccc(cc1)-c1nccn1CC[*:1]
CSc1ccc(-c2nccn2CCS(=O)(=O)CC(C)C)cc1 CC(C)[*:1] CSc1ccc(cc1)-c1nccn1CCS(=O)(=O)C[*:1]
CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 CS(=O)(=O)[*:1] N#Cc1ccc(cc1)-c1csc(n1)NC(=O)Cc1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 N#Cc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc(cs1)[*:1]
CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC[NH+](CC)Cc1ccc(cc1)CNC(=O)[*:1]
Cc1ccccc1NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 Cc1ccccc1[*:1] O=C1Cc2cc(cc3CCCN1c32)S(=O)(=O)N[*:1]
C[C@@H]1CCCN(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])C1 O=C([O-])[*:1] C[C@@H]1CCCN(C1)C(=O)N[C@@H]1CCCCC[C@H]1[*:1]
COC[C@]1(C)NC(=O)N(Cc2cc(-c3ccccc3)no2)C1=O COC[*:1] C[C@@]1(NC(=O)N(Cc2cc(no2)-c2ccccc2)C1=O)[*:1]
COC[C@]1(C)NC(=O)N(Cc2cc(-c3ccccc3)no2)C1=O c1ccc(cc1)[*:1] COC[C@]1(C)NC(=O)N(Cc2cc(no2)[*:1])C1=O
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C(=O)[O-])CC4)CC3)CC2=O)cc1 O=C([O-])[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C(=O)[O-])CC4)CC3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C([O-])C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(c1ccccc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN12 c1ccc(cc1)[*:1] O=C([C@@H]1Oc2ccccc2[C@@H]2CC(=NN12)c1cccs1)[*:1]
O=C(c1ccccc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN12 O=C(c1ccccc1)[*:1] c1csc(c1)C1C[C@H]2c3ccccc3O[C@H](N2N=1)[*:1]
O=C(c1ccccc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN12 c1csc(c1)[*:1] O=C(c1ccccc1)[C@@H]1Oc2ccccc2[C@@H]2CC(=NN12)[*:1]
Cc1ccc(NC(=O)c2cccc[n+]2[O-])cc1S(=O)(=O)Nc1ccccc1 [O-][n+]1ccccc1[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccccc1)NC(=O)[*:1]
Cc1ccc(NC(=O)c2cccc[n+]2[O-])cc1S(=O)(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])NC(=O)c1cccc[n+]1[O-]
CCOc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 CCO[*:1] COc1ccc(cc1)-c1nc2NC(C)=C(C(=O)Nc3cccnc3)[C@H](c3ccc(cc3)[*:1])n2n1
CCOc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 c1cncc(c1)[*:1] CCOc1ccc(cc1)[C@H]1C(C(=O)N[*:1])=C(C)Nc2nc(nn21)-c1ccc(cc1)OC
CCOc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 CCOc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc2NC(C)=C(C(=O)Nc3cccnc3)[C@@H](n2n1)[*:1]
CCOc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 COc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(nn21)[*:1]
CCOc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 O=C(Nc1cccnc1)[*:1] CCOc1ccc(cc1)[C@H]1C(=C(C)Nc2nc(nn21)-c1ccc(cc1)OC)[*:1]
Cc1cc(C(=O)N2C[C@H](C)OCC2(C)C)c(C)n1-c1nccs1 c1csc(n1)[*:1] Cc1cc(C(=O)N2C[C@H](C)OCC2(C)C)c(C)n1[*:1]
CC(C)N1C[C@H](C(=O)Nc2cnc(-c3ccccc3)nc2)CC1=O CC(C)[*:1] O=C(Nc1cnc(nc1)-c1ccccc1)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)N1C[C@H](C(=O)Nc2cnc(-c3ccccc3)nc2)CC1=O c1ccc(cc1)[*:1] CC(C)N1C[C@@H](CC1=O)C(=O)Nc1cnc(nc1)[*:1]
C#CCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 Fc1ccc(cc1)[*:1] C#CCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
C#CCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 C#CC[*:1] O=C1C[C@@H](CN1c1ccc(F)cc1)c1nc2ccccc2n1[*:1]
CCc1ccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 c1ccc(nc1)[*:1] CCc1ccc(CN(C[*:1])C2CC(C)(C)[NH2+]C(C)(C)C2)o1
CCc1ccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 c1ccc(C[*:1])nc1 CCc1ccc(CN(C2CC(C)(C)[NH2+]C(C)(C)C2)[*:1])o1
CCc1ccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 CCc1ccc(C[*:1])o1 CC1(C)CC(CC(C)(C)[NH2+]1)N(Cc1ccccn1)[*:1]
CCc1ccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 CCc1ccc(o1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)N(Cc1ccccn1)C[*:1]
CC[C@@H](C)[C@@H](C[NH3+])Sc1cccc(Br)c1 CC[C@@H](C)[*:1] [NH3+]C[C@@H](Sc1cccc(Br)c1)[*:1]
Cc1cc(C)n(-c2nc(CCNC(=O)c3sc(C)nc3C)cs2)n1 Cc1nc(C)c(s1)[*:1] Cc1cc(C)n(n1)-c1nc(cs1)CCNC(=O)[*:1]
Cc1cc(C)n(-c2nc(CCNC(=O)c3sc(C)nc3C)cs2)n1 Cc1cc(C)n(n1)[*:1] Cc1nc(C)c(s1)C(=O)NCCc1csc(n1)[*:1]
C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@]1(Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1)C(=O)N[*:1]
C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@]1(Cn2c(cc3ccsc32)C(=O)N1[*:1])C(=O)NCc1ccccc1
C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1 O=C(NCc1ccccc1)[*:1] C[C@@]1(Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1)[*:1]
C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(Cn2c(cc3ccsc32)C(=O)N1C[*:1])C(=O)NCc1ccccc1
C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1)C(=O)NC[*:1]
COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(F)cc2)cc1 Fc1ccc(cc1)O[*:1] COc1ccc(cc1)NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)C[*:1]
COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(F)cc2)cc1 COc1ccc(cc1)NC(=O)[*:1] O=C1Nc2ccccc2N(C(=O)COc2ccc(F)cc2)[C@@H]1C[*:1]
COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(F)cc2)cc1 Fc1ccc(cc1)OC[*:1] COc1ccc(cc1)NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)[*:1]
COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccc(F)cc1)N[*:1]
COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)CO[*:1]
CC(=O)c1ccccc1OCCSc1nnc2ccccn12 CC(=O)[*:1] c1ccc(c(c1)OCCSc1nnc2ccccn12)[*:1]
C[C@H]1C[C@H]1[C@H](O)[C@@H]1CCOC2(CCSCC2)C1 C[C@H]1C[C@@H]1[*:1] O[C@H]([C@@H]1CCOC2(CCSCC2)C1)[*:1]
CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(C3CC3)s2)c1 C1CC1[*:1] CCS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1nnc(s1)[*:1]
CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(C3CC3)s2)c1 CCS(=O)(=O)[*:1] O=C(Nc1nnc(s1)C1CC1)c1cc(ccc1Cl)[*:1]
COC(=O)CCCNC(=O)c1cc(Br)ccc1O COC(=O)C[*:1] O=C(NCC[*:1])c1cc(Br)ccc1O
COC(=O)CCCNC(=O)c1cc(Br)ccc1O COC(=O)[*:1] O=C(NCCC[*:1])c1cc(Br)ccc1O
COC(=O)CCCNC(=O)c1cc(Br)ccc1O COC(=O)CC[*:1] O=C(NC[*:1])c1cc(Br)ccc1O
COc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)O[*:1]
COc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] COc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)[*:1]
C/C(=N\NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1 c1ccc(cc1)[*:1] CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)[*:1]
CC1=C(c2ccccc2)[C@H]1C(=O)N1CCN(CCn2cncn2)CC1 c1ccc(cc1)[*:1] CC1=C([C@H]1C(=O)N1CCN(CC1)CCn1cncn1)[*:1]
CC1=C(c2ccccc2)[C@H]1C(=O)N1CCN(CCn2cncn2)CC1 c1ncn(CC[*:1])n1 CC1=C(c2ccccc2)[C@H]1C(=O)N1CCN(CC1)[*:1]
CC1=C(c2ccccc2)[C@H]1C(=O)N1CCN(CCn2cncn2)CC1 c1ncn(n1)[*:1] CC1=C(c2ccccc2)[C@H]1C(=O)N1CCN(CC1)CC[*:1]
CC1=C(c2ccccc2)[C@H]1C(=O)N1CCN(CCn2cncn2)CC1 c1ncn(C[*:1])n1 CC1=C(c2ccccc2)[C@H]1C(=O)N1CCN(CC1)C[*:1]
COc1ccc(OC)c(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn23)c1 O=C([O-])[*:1] COc1ccc(OC)c(c1)Nc1c(nc2cnccn12)-c1ccc(cc1)[*:1]
COc1ccc(OC)c(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn23)c1 O=C([O-])c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)Nc1c(nc2cnccn12)[*:1]
CC(C)(CN1CCN(Cc2ccc(Cl)cc2)C(=O)C1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] O=C1CN(CCN1Cc1ccc(Cl)cc1)C[*:1]
CC(C)(CN1CCN(Cc2ccc(Cl)cc2)C(=O)C1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CN1CCN(Cc2ccc(Cl)cc2)C(=O)C1)[*:1]
CC(C)(CN1CCN(Cc2ccc(Cl)cc2)C(=O)C1)S(C)(=O)=O Clc1ccc(cc1)[*:1] CC(C)(CN1CCN(C[*:1])C(=O)C1)S(C)(=O)=O
O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccnnc1 c1cc(cnn1)[*:1] O=C(Nc1cc(ccc1F)-c1nnc2CCCCCn21)[*:1]
CS[C@H]1CC[C@@H](NC(=O)C[C@H](C)c2ccccc2C(F)(F)F)C1 FC(F)(F)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)C[C@H](C)c1ccccc1[*:1]
COc1cc(C(=O)Oc2ccccc2C#N)cc(Cl)c1OC(C)C N#Cc1ccccc1[*:1] COc1cc(cc(Cl)c1OC(C)C)C(=O)O[*:1]
COc1cc(C(=O)Oc2ccccc2C#N)cc(Cl)c1OC(C)C CC(C)O[*:1] COc1cc(cc(Cl)c1[*:1])C(=O)Oc1ccccc1C#N
COc1cc(C(=O)Oc2ccccc2C#N)cc(Cl)c1OC(C)C CC(C)[*:1] COc1cc(cc(Cl)c1O[*:1])C(=O)Oc1ccccc1C#N
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)cc2)ccc1O Oc1ccc(cc1)[*:1] COc1cc(ccc1O)[C@@H]1CC(=O)C2=C(C1)Nc1onc(C)c1[C@@H]2[*:1]
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)cc2)ccc1O COc1cc(ccc1O)[*:1] Cc1noc2NC3C[C@@H](CC(=O)C=3[C@H](c3ccc(O)cc3)c12)[*:1]
O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)cc1OCC(F)F FC(F)C[*:1] O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)cc1O[*:1]
O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)cc1OCC(F)F FC(F)CO[*:1] O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)cc1[*:1]
O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)cc1OCC(F)F FC(F)[*:1] O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)cc1OC[*:1]
C[C@@H](C(=O)N[C@H](C)c1ccccc1Br)C(F)(F)F C[C@@H](C(F)(F)F)[*:1] C[C@@H](NC(=O)[*:1])c1ccccc1Br
C[C@@H](C(=O)N[C@H](C)c1ccccc1Br)C(F)(F)F FC(F)(F)[*:1] C[C@@H](C(=O)N[C@H](C)c1ccccc1Br)[*:1]
CNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2ccccn2)C1 Fc1ccccc1[*:1] CNC(=O)[C@@]1(CCCN(C1)C(=O)c1ccccn1)Cc1ccc(cc1)[*:1]
CNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2ccccn2)C1 CNC(=O)[*:1] O=C(c1ccccn1)N1CCC[C@@](Cc2ccc(cc2)-c2ccccc2F)(C1)[*:1]
CNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2ccccn2)C1 c1ccc(nc1)[*:1] CNC(=O)[C@@]1(CCCN(C1)C(=O)[*:1])Cc1ccc(cc1)-c1ccccc1F
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc([N+](=O)[O-])ccc1Cl Fc1ccc(c(F)c1F)[*:1] CCCN(CC(=O)N[*:1])C(=O)c1cc(ccc1Cl)[N+](=O)[O-]
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc([N+](=O)[O-])ccc1Cl CCC[*:1] O=C(CN(C(=O)c1cc(ccc1Cl)[N+](=O)[O-])[*:1])Nc1ccc(F)c(F)c1F
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(ccc1Cl)[*:1]
O=C(NCc1ccccc1F)NC[C@@H](O)c1c(F)cccc1F Fc1ccccc1[*:1] O=C(NC[C@@H](O)c1c(F)cccc1F)NC[*:1]
C#Cc1cccc(NC(=O)CNC(=O)NCc2cc3ccccc3o2)c1 C#Cc1cccc(c1)[*:1] O=C(CNC(=O)NCc1cc2ccccc2o1)N[*:1]
CCc1c(NC(=O)C2C[C@@H](C)O[C@H](C)C2)noc1-c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CCc1c(noc1[*:1])NC(=O)C1C[C@@H](C)O[C@H](C)C1
CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)c1 O=[N+]([O-])[*:1] CS(=O)(=O)c1cccc(c1)-c1nnc(NC(=O)c2cc(Cl)ccc2[*:1])o1
CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)c1 CS(=O)(=O)[*:1] O=C(Nc1nnc(o1)-c1cccc(c1)[*:1])c1cc(Cl)ccc1[N+](=O)[O-]
CC(=O)Nc1cccc(COC(=O)c2ccc(-c3cscn3)cc2)c1 c1nc(cs1)[*:1] CC(=O)Nc1cccc(c1)COC(=O)c1ccc(cc1)[*:1]
CC(=O)Nc1cccc(COC(=O)c2ccc(-c3cscn3)cc2)c1 CC(=O)N[*:1] O=C(OCc1cccc(c1)[*:1])c1ccc(cc1)-c1cscn1
CC(C)n1cncc1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC(C)n1cncc1C[NH2+][C@@H]1CCC[C@H](C1)[*:1]
CC(C)n1cncc1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1 CC(C)[*:1] O=C([O-])[C@H]1CCC[C@H](C1)[NH2+]Cc1cncn1[*:1]
CCOC[C@@](O)(CC)C1CC1 C1CC1[*:1] CCOC[C@@](O)(CC)[*:1]
CCOC[C@@](O)(CC)C1CC1 CCO[*:1] CC[C@](O)(C[*:1])C1CC1
Cc1sc2nc(-c3cccnc3)nc(Nc3cccc(CO)c3)c2c1C OCc1cccc(c1)[*:1] Cc1sc2nc(nc(N[*:1])c2c1C)-c1cccnc1
Cc1sc2nc(-c3cccnc3)nc(Nc3cccc(CO)c3)c2c1C c1cncc(c1)[*:1] Cc1sc2nc(nc(Nc3cccc(c3)CO)c2c1C)[*:1]
CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCc2ccccc2F)CC1 Fc1ccccc1[*:1] CC[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)NC[*:1]
CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCc2ccccc2F)CC1 Fc1ccccc1C[*:1] CC[NH+]1CCN(CC1)c1ccc(Cl)cc1NC(=O)N[*:1]
O=[N+]([O-])c1c(NCCc2cccc3cccnc23)ccc2ncccc12 O=[N+]([O-])[*:1] c1cnc2c(cccc2c1)CCNc1ccc2ncccc2c1[*:1]
CC[C@H](CCO)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 OCC[*:1] CC[C@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1)[*:1]
CCc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)on3)s2)cc1 Cc1cc(no1)[*:1] CCc1ccc(cc1)-c1nc(C)c(s1)C(=O)N[*:1]
O=C([O-])c1csc(-c2cccc(OC(F)(F)F)c2)c1 FC(F)(F)O[*:1] O=C([O-])c1csc(c1)-c1cccc(c1)[*:1]
O=C([O-])c1csc(-c2cccc(OC(F)(F)F)c2)c1 FC(F)(F)[*:1] O=C([O-])c1csc(c1)-c1cccc(c1)O[*:1]
O=C([O-])c1csc(-c2cccc(OC(F)(F)F)c2)c1 O=C([O-])[*:1] FC(F)(F)Oc1cccc(c1)-c1cc(cs1)[*:1]
C[C@@H](CCc1ccccc1)CC(=O)N(C)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](CCc1ccccc1)CC(=O)N(C)[*:1]
C[C@@H](CCc1ccccc1)CC(=O)N(C)C1CCOCC1 c1ccc(cc1)C[*:1] C[C@H](CC(=O)N(C)C1CCOCC1)C[*:1]
C[C@@H](CCc1ccccc1)CC(=O)N(C)C1CCOCC1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])CC(=O)N(C)C1CCOCC1
O=C1COc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3cccs3)c(Cl)cc2N1 c1csc(c1)[*:1] O=C1COc2cc(c(Cl)cc2N1)S(=O)(=O)N[C@H](c1ccccc1)[*:1]
O=C1COc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3cccs3)c(Cl)cc2N1 c1ccc(cc1)[*:1] O=C1COc2cc(c(Cl)cc2N1)S(=O)(=O)N[C@H](c1cccs1)[*:1]
CC(=O)Nc1cccc(Nc2nnc(SCc3noc(C)n3)s2)c1 Cc1nc(no1)[*:1] CC(=O)Nc1cccc(c1)Nc1nnc(SC[*:1])s1
CC(=O)Nc1cccc(Nc2nnc(SCc3noc(C)n3)s2)c1 Cc1nc(C[*:1])no1 CC(=O)Nc1cccc(c1)Nc1nnc(S[*:1])s1
CC(=O)Nc1cccc(Nc2nnc(SCc3noc(C)n3)s2)c1 CC(=O)N[*:1] Cc1nc(CSc2nnc(Nc3cccc(c3)[*:1])s2)no1
CC(=O)Nc1cccc(Nc2nnc(SCc3noc(C)n3)s2)c1 Cc1nc(CS[*:1])no1 CC(=O)Nc1cccc(c1)Nc1nnc(s1)[*:1]
Cc1ccccc1-n1cnnc1SCC(=O)NCC(F)(F)F FC(F)(F)C[*:1] Cc1ccccc1-n1cnnc1SCC(=O)N[*:1]
Cc1ccccc1-n1cnnc1SCC(=O)NCC(F)(F)F Cc1ccccc1[*:1] O=C(CSc1nncn1[*:1])NCC(F)(F)F
Cc1ccccc1-n1cnnc1SCC(=O)NCC(F)(F)F FC(F)(F)[*:1] Cc1ccccc1-n1cnnc1SCC(=O)NC[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1 CC(=O)N[*:1] Nn1c(nnc1-c1cccnc1)SCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1 c1cncc(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CSc1nnc(n1N)[*:1]
COC(=O)CCc1nnc(NC(=O)N[C@@H](C)c2cccc(C)c2C)s1 COC(=O)CC[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)Nc1nnc(s1)[*:1]
COC(=O)CCc1nnc(NC(=O)N[C@@H](C)c2cccc(C)c2C)s1 Cc1cccc(c1C)[*:1] COC(=O)CCc1nnc(NC(=O)N[C@@H](C)[*:1])s1
COC(=O)CCc1nnc(NC(=O)N[C@@H](C)c2cccc(C)c2C)s1 COC(=O)C[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)Nc1nnc(C[*:1])s1
COC(=O)CCc1nnc(NC(=O)N[C@@H](C)c2cccc(C)c2C)s1 COC(=O)[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)Nc1nnc(CC[*:1])s1
C[C@H]1CN(c2ccc(C(=O)NCC3(c4ccc(F)cc4)CCOCC3)cn2)C[C@@H](C)O1 Fc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(cn1)C(=O)NCC1(CCOCC1)[*:1]
Cc1ccc(Cc2nnc(NC(=O)c3cncc(C)c3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1cncc(c1)C(=O)Nc1nnc(C[*:1])s1
Cc1ccc(Cc2nnc(NC(=O)c3cncc(C)c3)s2)cc1 Cc1cncc(c1)[*:1] Cc1ccc(cc1)Cc1nnc(NC(=O)[*:1])s1
COc1cc(C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)ccc1C CC(C)NC(=O)[*:1] COc1cc(ccc1C)C(=O)Nc1ccc(c(C)c1)[*:1]
COc1cc(C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)ccc1C CC(C)[*:1] COc1cc(ccc1C)C(=O)Nc1ccc(C(=O)N[*:1])c(C)c1
Cc1noc(CCN[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)n1 Cc1noc(C[*:1])n1 C[C@@H](NC[*:1])c1ccc(cc1)NC(=O)NC1CC1
Cc1noc(CCN[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)n1 Cc1noc(n1)[*:1] C[C@@H](NCC[*:1])c1ccc(cc1)NC(=O)NC1CC1
Cc1noc(CCN[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)n1 O=C(NC1CC1)N[*:1] Cc1noc(CCN[C@H](C)c2ccc(cc2)[*:1])n1
Cc1noc(CCN[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)n1 Cc1noc(CC[*:1])n1 C[C@@H](N[*:1])c1ccc(cc1)NC(=O)NC1CC1
Cc1noc(CCN[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)n1 C1CC1[*:1] Cc1noc(CCN[C@H](C)c2ccc(cc2)NC(=O)N[*:1])n1
CC[NH+](CC)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OC)cc4)c32)cc1 COc1ccc(cc1)[*:1] CC[NH+](CC)c1ccc(cc1)[C@H]1C(C#N)=C(N)Oc2n[nH]c(c21)[*:1]
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccco2)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2c(n3CCO[C@H](c4ccco4)c3c2n(C)c1=O)[*:1]
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-c1c2c(=O)n(C)c(=O)n(C)c2c2[C@@H](OCCn12)[*:1]
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] Cc1nn(cc1C(=O)N(C)c1ccc(F)cc1)[*:1]
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nn(cc1C(=O)N(C)[*:1])-c1ccc(Cl)cc1
C[C@@H](S[C@@H]1N=Nc2nc3ccccc3n21)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C[C@@H](S[C@@H]1N=Nc2nc3ccccc3n21)c1cccc(c1)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1cnc2ccccc2c1 CCCC[*:1] O=C(Nc1cnc2ccccc2c1)[C@@H]1CSCN1C(=O)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1cnc2ccccc2c1 CCC[*:1] O=C(Nc1cnc2ccccc2c1)[C@@H]1CSCN1C(=O)C[*:1]
Cc1ccnc2nc(C(=O)NCc3cccc(Cl)c3)nn12 Clc1cccc(c1)[*:1] Cc1ccnc2nc(nn12)C(=O)NC[*:1]
CC[NH2+][C@H](CC1CC1)[C@H](C)OC C1CC1[*:1] CC[NH2+][C@H](C[*:1])[C@H](C)OC
CC[NH2+][C@H](CC1CC1)[C@H](C)OC C1CC1C[*:1] CC[NH2+][C@H]([C@H](C)OC)[*:1]
CC[NH2+][C@H](CC1CC1)[C@H](C)OC CO[C@@H](C)[*:1] CC[NH2+][C@H](CC1CC1)[*:1]
CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)cc1F)NCC2 CCO[*:1] CCOc1cc2c(cc1[*:1])CCN[C@H]2c1ccc(cc1F)OC
CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)cc1F)NCC2 CCO[*:1] CCOc1cc2CCN[C@@H](c3ccc(cc3F)OC)c2cc1[*:1]
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)CCc1cccc(F)c1 Fc1cccc(c1)C[*:1] Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)C[*:1]
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)CCc1cccc(F)c1 Cc1ccccc1[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)NNC(=O)N[*:1]
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)CCc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)CC[*:1]
CC(C)(C)n1cc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)cn1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)[*:1])N[C@H]1C[C@H]1c1ccccc1
CC(C)(C)n1cc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)cn1 c1ccc(cc1)[*:1] CC(C)(C)n1cc(cn1)NC(=O)N[C@H]1C[C@@H]1[*:1]
Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])n1 O=[N+]([O-])[*:1] Cc1ccc(OCc2ccc(Cl)cc2)c(n1)[*:1]
CSc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 O=[N+]([O-])[*:1] CSc1ccc(cc1)-c1csc(n1)NC(=O)c1ccccc1[*:1]
CSc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 CSc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1[N+](=O)[O-]
O=C(c1ccc(-c2ccccc2F)o1)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(c1ccc(o1)-c1ccccc1F)N1CCN(CC1)[*:1]
O=C(c1ccc(-c2ccccc2F)o1)N1CCN(c2ccccc2O)CC1 Fc1ccccc1[*:1] O=C(c1ccc(o1)[*:1])N1CCN(CC1)c1ccccc1O
CCOC[C@H]1CCN(C(=O)CNC(=O)N2CCc3ccccc3C2)C1 CCO[*:1] O=C(CNC(=O)N1CCc2ccccc2C1)N1CC[C@@H](C1)C[*:1]
CCOC[C@H]1CCN(C(=O)CNC(=O)N2CCc3ccccc3C2)C1 CCOC[*:1] O=C(CNC(=O)N1CCc2ccccc2C1)N1CC[C@@H](C1)[*:1]
CN(C)C(=O)c1cccc(C(=O)N2CCC(COc3ccccn3)CC2)c1 CN(C)C(=O)[*:1] O=C(c1cccc(c1)[*:1])N1CCC(CC1)COc1ccccn1
CN(C)C(=O)c1cccc(C(=O)N2CCC(COc3ccccn3)CC2)c1 c1ccc(nc1)[*:1] CN(C)C(=O)c1cccc(c1)C(=O)N1CCC(CC1)CO[*:1]
CN(C)C(=O)c1cccc(C(=O)N2CCC(COc3ccccn3)CC2)c1 c1ccc(nc1)OC[*:1] CN(C)C(=O)c1cccc(c1)C(=O)N1CCC(CC1)[*:1]
CN(C)C(=O)c1cccc(C(=O)N2CCC(COc3ccccn3)CC2)c1 c1ccc(nc1)O[*:1] CN(C)C(=O)c1cccc(c1)C(=O)N1CCC(CC1)C[*:1]
CC[C@@H](NC(=O)[C@](C)(N)C(F)(F)F)c1cccc(Cl)c1 FC(F)(F)[*:1] CC[C@@H](NC(=O)[C@](C)(N)[*:1])c1cccc(Cl)c1
Cc1cc(O[C@@H](C)C(=O)c2ccccc2)c2c(C)cc(=O)oc2c1 c1ccc(cc1)[*:1] Cc1cc(O[C@@H](C)C(=O)[*:1])c2c(C)cc(=O)oc2c1
Cc1cc(O[C@@H](C)C(=O)c2ccccc2)c2c(C)cc(=O)oc2c1 O=C(c1ccccc1)[*:1] Cc1cc(O[C@@H](C)[*:1])c2c(C)cc(=O)oc2c1
CC[C@@H](C)C(=O)NCC(=O)N[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] CC[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C[*:1]
CC[C@@H](C)C(=O)NCC(=O)N[C@@H](C)Cc1cccs1 CC[C@@H](C)[*:1] C[C@@H](Cc1cccs1)NC(=O)CNC(=O)[*:1]
CC[C@@H](C)C(=O)NCC(=O)N[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] CC[C@@H](C)C(=O)NCC(=O)N[C@@H](C)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC(C)(C)c1cccc(C)c1 Cc1cccc(c1)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NC(C)(C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(-n2ccnc2SC)c1 CSc1nccn1[*:1] CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(c1)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(-n2ccnc2SC)c1 CNC(=O)[*:1] CSc1nccn1-c1cccc(c1)C(=O)N(C)C[C@@H](C)[*:1]
COc1ccc([C@H](C)N(C)C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 COc1ccc(cc1)[*:1] C[C@H](N(C)C(=O)C[C@@H]1OC(=O)c2ccccc21)[*:1]
CC(=O)Nc1ccc(C(=O)N2CC(c3nc(-c4ccccn4)no3)C2)cc1 c1ccc(nc1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N1CC(C1)c1nc(no1)[*:1]
CC(=O)Nc1ccc(C(=O)N2CC(c3nc(-c4ccccn4)no3)C2)cc1 CC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CC(C1)c1nc(no1)-c1ccccn1
Cc1cccc2c1NC(=O)[C@]2(O)CC(=O)c1ccc(Br)s1 Brc1ccc(s1)[*:1] Cc1cccc2c1NC(=O)[C@]2(O)CC(=O)[*:1]
COC(=O)CCC/C=C1/SC[C@H](NC(=O)c2ccccc2)/C1=N\O COC(=O)CCC[*:1] O=C(N[C@H]1CSC(=C[*:1])/C1=N/O)c1ccccc1
COC(=O)CCC/C=C1/SC[C@H](NC(=O)c2ccccc2)/C1=N\O c1ccc(cc1)[*:1] COC(=O)CCC/C=C1/SC[C@H](NC(=O)[*:1])/C1=N\O
COC(=O)CCC/C=C1/SC[C@H](NC(=O)c2ccccc2)/C1=N\O COC(=O)[*:1] O=C(N[C@H]1CSC(=C/CCC[*:1])/C1=N/O)c1ccccc1
COC(=O)CCC/C=C1/SC[C@H](NC(=O)c2ccccc2)/C1=N\O COC(=O)CC[*:1] O=C(N[C@H]1CSC(=C/C[*:1])/C1=N/O)c1ccccc1
COC(=O)CCC/C=C1/SC[C@H](NC(=O)c2ccccc2)/C1=N\O COC(=O)C[*:1] O=C(N[C@H]1CSC(=C/CC[*:1])/C1=N/O)c1ccccc1
Cc1ccccc1NC(=O)[C@@H]1CCCN1c1nccs1 c1csc(n1)[*:1] Cc1ccccc1NC(=O)[C@@H]1CCCN1[*:1]
COCCOc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cn1 COCCO[*:1] C[C@@H](C(=O)Nc1ccc(nc1)[*:1])S(C)(=O)=O
COCCOc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cn1 C[C@H](S(C)(=O)=O)[*:1] COCCOc1ccc(cn1)NC(=O)[*:1]
COCCOc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cn1 COCC[*:1] C[C@@H](C(=O)Nc1ccc(nc1)O[*:1])S(C)(=O)=O
COCCOc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cn1 COC[*:1] C[C@@H](C(=O)Nc1ccc(nc1)OC[*:1])S(C)(=O)=O
COCCOc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cn1 CS(=O)(=O)[*:1] COCCOc1ccc(cn1)NC(=O)[C@H](C)[*:1]
C[C@H](C(=O)NC[C@]1(C)CCCO1)N1CC[NH2+]CC1 C[C@@]1(CCCO1)[*:1] C[C@H](C(=O)NC[*:1])N1CC[NH2+]CC1
O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCC1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])C1CCC1
O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCC1 C1CC(C1)[*:1] O=C1CCCN1c1ccc(cc1)NC(=O)[*:1]
Cc1nccc(CNC(=O)c2cc(C)c(C#CCN)s2)n1 Cc1nccc(n1)[*:1] Cc1cc(sc1C#CCN)C(=O)NC[*:1]
Cc1nccc(CNC(=O)c2cc(C)c(C#CCN)s2)n1 NCC#C[*:1] Cc1nccc(CNC(=O)c2cc(C)c(s2)[*:1])n1
C[C@H](OC(=O)[C@@]1(C)CCCO1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](OC(=O)[C@@]1(C)CCCO1)[*:1]
Cc1noc(C)c1C[NH2+][C@@H](C)C(=O)NC1CCCC1 C1CCC(C1)[*:1] Cc1noc(C)c1C[NH2+][C@@H](C)C(=O)N[*:1]
C[C@H]1CCCN(C(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] C[C@H]1CCCN(CC1)C(=O)NCc1ccccc1S(=O)(=O)N[*:1]
C[C@H]1CCCN(C(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 CC(C)(C)NS(=O)(=O)[*:1] C[C@H]1CCCN(CC1)C(=O)NCc1ccccc1[*:1]
C[C@H]1CC(=O)N(CC(=O)N(C)C)C[C@H]1[NH3+] CN(C)C(=O)[*:1] C[C@H]1CC(=O)N(C[C@H]1[NH3+])C[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc(C#N)c1 NC(=O)N[*:1] CC[C@@H](C)[C@H](C(=O)Nc1cccc(C#N)c1)[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc(C#N)c1 CC[C@@H](C)[*:1] N#Cc1cccc(c1)NC(=O)[C@@H](NC(N)=O)[*:1]
C=C(C)COc1ccc2nc(C)n(-c3ccc(C(=O)NCc4ccncc4)cc3)c(=O)c2c1 c1cc(ccn1)C[*:1] C=C(C)COc1ccc2nc(C)n(-c3ccc(cc3)C(=O)N[*:1])c(=O)c2c1
C=C(C)COc1ccc2nc(C)n(-c3ccc(C(=O)NCc4ccncc4)cc3)c(=O)c2c1 C=C(C)CO[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccc(cc1)C(=O)NCc1ccncc1)[*:1]
C=C(C)COc1ccc2nc(C)n(-c3ccc(C(=O)NCc4ccncc4)cc3)c(=O)c2c1 C=C(C)[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccc(cc1)C(=O)NCc1ccncc1)OC[*:1]
C=C(C)COc1ccc2nc(C)n(-c3ccc(C(=O)NCc4ccncc4)cc3)c(=O)c2c1 O=C(NCc1ccncc1)[*:1] C=C(C)COc1ccc2nc(C)n(-c3ccc(cc3)[*:1])c(=O)c2c1
C=C(C)COc1ccc2nc(C)n(-c3ccc(C(=O)NCc4ccncc4)cc3)c(=O)c2c1 c1cc(ccn1)[*:1] C=C(C)COc1ccc2nc(C)n(-c3ccc(cc3)C(=O)NC[*:1])c(=O)c2c1
C=C(C)COc1ccc2nc(C)n(-c3ccc(C(=O)NCc4ccncc4)cc3)c(=O)c2c1 C=C(C)C[*:1] Cc1nc2ccc(cc2c(=O)n1-c1ccc(cc1)C(=O)NCc1ccncc1)O[*:1]
CC(C)(C)OC1CCN(C(=O)c2cnc(Oc3ccccc3)cn2)CC1 CC(C)(C)O[*:1] O=C(c1cnc(cn1)Oc1ccccc1)N1CCC(CC1)[*:1]
CC(C)(C)OC1CCN(C(=O)c2cnc(Oc3ccccc3)cn2)CC1 CC(C)(C)[*:1] O=C(c1cnc(cn1)Oc1ccccc1)N1CCC(CC1)O[*:1]
CC(C)(C)OC1CCN(C(=O)c2cnc(Oc3ccccc3)cn2)CC1 c1ccc(cc1)O[*:1] CC(C)(C)OC1CCN(CC1)C(=O)c1cnc(cn1)[*:1]
CC(C)(C)OC1CCN(C(=O)c2cnc(Oc3ccccc3)cn2)CC1 c1ccc(cc1)[*:1] CC(C)(C)OC1CCN(CC1)C(=O)c1cnc(cn1)O[*:1]
CC(C)c1c(CO)cnn1-c1cccc(F)c1 CC(C)[*:1] OCc1cnn(-c2cccc(F)c2)c1[*:1]
C[C@H](Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])c1ccccc1 C[C@H](N[*:1])c1ccccc1 O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1ccco1
C[C@H](Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])c1ccccc1 c1coc(c1)[*:1] C[C@H](Nc1ncnc(NNC(=O)[*:1])c1[N+](=O)[O-])c1ccccc1
C[C@H](Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])[*:1]
C[C@H](Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(NNc1ncnc(N[*:1])c1[N+](=O)[O-])c1ccco1
C[C@H](Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])c1ccccc1 O=C(NN[*:1])c1ccco1 C[C@H](Nc1ncnc(c1[N+](=O)[O-])[*:1])c1ccccc1
C[C@H](Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] C[C@H](Nc1ncnc(NNC(=O)c2ccco2)c1[*:1])c1ccccc1
C[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)C(=O)Nc1ccccc1 c1cc(co1)[*:1] C[C@@H](NC(=O)c1cccc(c1)[*:1])C(=O)Nc1ccccc1
C[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1cccc(c1)-c1ccoc1)C(=O)N[*:1]
O=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)N1CCCCCC1 Clc1ccccc1[*:1] O=C(Cn1cc(c2ccccc21)S(=O)(=O)C[*:1])N1CCCCCC1
O=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)N1CCCCCC1 Clc1ccccc1C[*:1] O=C(Cn1cc(c2ccccc21)S(=O)(=O)[*:1])N1CCCCCC1
O=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=S(=O)(Cc1ccccc1Cl)c1cn(C[*:1])c2ccccc12
O=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)N1CCCCCC1 O=C(C[*:1])N1CCCCCC1 O=S(=O)(Cc1ccccc1Cl)c1cn(c2ccccc12)[*:1]
O=C(COc1ccc(Br)cc1)NCC1(c2ccccc2)CC1 Brc1ccc(cc1)[*:1] O=C(CO[*:1])NCC1(CC1)c1ccccc1
O=C(COc1ccc(Br)cc1)NCC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccc(Br)cc1)NCC1(CC1)[*:1]
Cc1nc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2C)sc1C Cc1nc(sc1C)[*:1] Cc1c(nnn1-c1ccc(F)cc1)C(=O)NC[*:1]
Cc1nc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2C)sc1C Cc1nc(C[*:1])sc1C Cc1c(nnn1-c1ccc(F)cc1)C(=O)N[*:1]
Cc1nc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2C)sc1C Fc1ccc(cc1)[*:1] Cc1nc(CNC(=O)c2nnn(c2C)[*:1])sc1C
CN1C[C@H](c2cc(=O)n3nc(-c4cccc(Cl)c4)cc3[nH]2)CC1=O Clc1cccc(c1)[*:1] CN1C[C@@H](CC1=O)c1cc(=O)n2nc(cc2[nH]1)[*:1]
CCCC(=O)N1CCC[C@H]2CCCC[C@@H]21 CCC[*:1] O=C(N1CCC[C@H]2CCCC[C@@H]21)[*:1]
COCCn1nc([C@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)n(C2CC2)c1=O C1CC1[*:1] COCCn1nc([C@H]2CCCN(C2)C(=O)Nc2cccc(Cl)c2)n(c1=O)[*:1]
COCCn1nc([C@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)n(C2CC2)c1=O COCC[*:1] O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](C1)c1nn(c(=O)n1C1CC1)[*:1]
COCCn1nc([C@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)n(C2CC2)c1=O Clc1cccc(c1)[*:1] COCCn1nc([C@H]2CCCN(C2)C(=O)N[*:1])n(c1=O)C1CC1
COCCn1nc([C@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)n(C2CC2)c1=O COC[*:1] O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](C1)c1nn(C[*:1])c(=O)n1C1CC1
CCc1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)cc1 O=C([O-])[*:1] CCc1ccc(cc1)C(=O)NCc1ccc(o1)[*:1]
CCN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)[C@H](C)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)[C@H](C)[*:1]
O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccon1 c1cc(no1)[*:1] O=C(Nc1cccc(c1)C[NH+]1CCCC1)[*:1]
Cc1ccc(O)c(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1 c1ccc(cc1)[*:1] Cc1ccc(O)c(c1)C(=O)N1CCC[C@H]1c1nc(n[nH]1)[*:1]
Cc1ccc(O)c(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1 Cc1ccc(O)c(c1)[*:1] O=C(N1CCC[C@H]1c1nc(n[nH]1)-c1ccccc1)[*:1]
CC(C)c1cccc(N(C)C(=O)CCNC(=O)[C@@H]2C[C@H]2C)c1 CC(C)[*:1] C[C@@H]1C[C@H]1C(=O)NCCC(=O)N(C)c1cccc(c1)[*:1]
COCCOc1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)cc1 COCC[*:1] O=C(NCc1ccc(cc1)O[*:1])N1CCN(CC1)c1ccccc1
COCCOc1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)cc1 COCCO[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCN(CC1)c1ccccc1
COCCOc1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)cc1 COC[*:1] O=C(NCc1ccc(cc1)OC[*:1])N1CCN(CC1)c1ccccc1
COCCOc1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] COCCOc1ccc(cc1)CNC(=O)N1CCN(CC1)[*:1]
Cc1ccc(C#N)cc1[N-]S(=O)(=O)CCOC(C)C CC(C)O[*:1] Cc1ccc(C#N)cc1[N-]S(=O)(=O)CC[*:1]
Cc1ccc(C#N)cc1[N-]S(=O)(=O)CCOC(C)C CC(C)OCC[*:1] Cc1ccc(C#N)cc1[N-]S(=O)(=O)[*:1]
Cc1ccc(C#N)cc1[N-]S(=O)(=O)CCOC(C)C CC(C)[*:1] Cc1ccc(C#N)cc1[N-]S(=O)(=O)CCO[*:1]
Cc1ccc(C#N)cc1[N-]S(=O)(=O)CCOC(C)C CC(C)OC[*:1] Cc1ccc(C#N)cc1[N-]S(=O)(=O)C[*:1]
CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4OC)C3)ccc21 COc1ccccc1C[*:1] CCn1ccc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4OC)C3)ccc21 COc1ccccc1[*:1] CCn1ccc2cc(ccc21)S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
O=C(NC[C@@H](O)c1ccco1)N[C@@H]1CCCc2ccccc21 O[C@@H](c1ccco1)[*:1] O=C(NC[*:1])N[C@@H]1CCCc2ccccc21
O=C(NC[C@@H](O)c1ccco1)N[C@@H]1CCCc2ccccc21 c1coc(c1)[*:1] O=C(NC[C@@H](O)[*:1])N[C@@H]1CCCc2ccccc21
CSC(C)(C)CNC(=O)c1cc2cccc(F)c2o1 CSC(C)(C)C[*:1] O=C(N[*:1])c1cc2cccc(F)c2o1
CSC(C)(C)CNC(=O)c1cc2cccc(F)c2o1 CSC(C)(C)[*:1] O=C(NC[*:1])c1cc2cccc(F)c2o1
CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)N2C[C@@H]3CC[C@H]2C3)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)CCNC(=O)N1C[C@@H]2CC[C@H]1C2)O[*:1]
CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)N2C[C@@H]3CC[C@H]2C3)cc1 CC(C)(C)OC(=O)N[*:1] O=C(NCCc1ccc(cc1)[*:1])N1C[C@@H]2CC[C@H]1C2
COc1ccc(CNC(=O)NCC#CCOc2ccccc2Cl)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)CNC(=O)NCC#CCO[*:1]
COc1ccc(CNC(=O)NCC#CCOc2ccccc2Cl)cc1 Clc1ccccc1O[*:1] COc1ccc(cc1)CNC(=O)NCC#CC[*:1]
COc1ccc(CNC(=O)NCC#CCOc2ccccc2Cl)cc1 COc1ccc(cc1)[*:1] O=C(NCC#CCOc1ccccc1Cl)NC[*:1]
C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(COc2cccc(Br)c2)o1 Brc1cccc(c1)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(CO[*:1])o1
C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(COc2cccc(Br)c2)o1 Brc1cccc(c1)O[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(C[*:1])o1
CCCCNC(=O)Cn1cc(Br)cn1 CCC[*:1] O=C(Cn1cc(Br)cn1)NC[*:1]
CCCCNC(=O)Cn1cc(Br)cn1 CCCC[*:1] O=C(Cn1cc(Br)cn1)N[*:1]
C[C@@]1(c2ccccc2)CN(C(=O)C(=O)Nc2cccnc2Cl)CCO1 Clc1ncccc1[*:1] C[C@]1(CN(CCO1)C(=O)C(=O)N[*:1])c1ccccc1
C[C@@]1(c2ccccc2)CN(C(=O)C(=O)Nc2cccnc2Cl)CCO1 c1ccc(cc1)[*:1] C[C@]1(CN(CCO1)C(=O)C(=O)Nc1cccnc1Cl)[*:1]
CSCC[C@H](C)N(C)C(=O)NCC1(C)Cc2ccccc2C1 CSC[*:1] C[C@@H](C[*:1])N(C)C(=O)NCC1(C)Cc2ccccc2C1
CSCC[C@H](C)N(C)C(=O)NCC1(C)Cc2ccccc2C1 CSCC[*:1] C[C@H](N(C)C(=O)NCC1(C)Cc2ccccc2C1)[*:1]
O=C(CNC(=O)c1ccco1)Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] O=C(CNC(=O)c1ccco1)Nc1cccc(c1)[*:1]
O=C(CNC(=O)c1ccco1)Nc1cccc(C(=O)[O-])c1 c1coc(c1)[*:1] O=C(CNC(=O)[*:1])Nc1cccc(c1)C(=O)[O-]
C[NH+](C)CCN(C(=O)c1ccc(Br)cc1)c1nc2c(F)cccc2s1 Brc1ccc(cc1)[*:1] C[NH+](C)CCN(C(=O)[*:1])c1nc2c(F)cccc2s1
COC(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)[*:1]
COC(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1 COC(=O)[*:1] O=S(=O)(N[C@@H](c1ccccc1)[*:1])c1ccc(F)c(Cl)c1
O=C(c1ccco1)N1CCC[C@@H](COc2ccc(C[NH+]3CCSCC3)cc2)C1 c1coc(c1)[*:1] O=C(N1CCC[C@@H](COc2ccc(cc2)C[NH+]2CCSCC2)C1)[*:1]
CCc1ccc(C(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 CCc1ccc(cc1)[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)NNC(=O)[*:1]
CN(CC[NH3+])C[C@H]1CN(C)CCO1 [NH3+]CC[*:1] CN1CCO[C@H](C1)CN(C)[*:1]
CN(CC#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 N#CC[*:1] CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
CN(CC#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 CN(CC#N)[*:1] O=C(C[*:1])N[C@@H]1CCS(=O)(=O)C1
COCCOc1ccc(NC(=O)[C@H]2OCCc3ccccc32)cn1 COC[*:1] O=C(Nc1ccc(nc1)OC[*:1])[C@H]1OCCc2ccccc21
COCCOc1ccc(NC(=O)[C@H]2OCCc3ccccc32)cn1 COCCO[*:1] O=C(Nc1ccc(nc1)[*:1])[C@H]1OCCc2ccccc21
COCCOc1ccc(NC(=O)[C@H]2OCCc3ccccc32)cn1 COCC[*:1] O=C(Nc1ccc(nc1)O[*:1])[C@H]1OCCc2ccccc21
CC[C@H](C)NC(=O)CCNC(=O)Nc1cccc(N(C)C(C)=O)c1 CC[C@H](C)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)NCCC(=O)N[*:1]
CC[C@H](C)NC(=O)CCNC(=O)Nc1cccc(N(C)C(C)=O)c1 CC[C@H](C)NC(=O)C[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)NC[*:1]
CC[C@H](C)NC(=O)CCNC(=O)Nc1cccc(N(C)C(C)=O)c1 CC(=O)N(C)[*:1] CC[C@H](C)NC(=O)CCNC(=O)Nc1cccc(c1)[*:1]
CC[C@H](C)NC(=O)CCNC(=O)Nc1cccc(N(C)C(C)=O)c1 CC[C@H](C)NC(=O)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)NCC[*:1]
CN(C)c1nnc(S(=O)(=O)Cc2noc(Cc3ccccc3)n2)s1 c1ccc(cc1)[*:1] CN(C)c1nnc(s1)S(=O)(=O)Cc1noc(C[*:1])n1
CN(C)c1nnc(S(=O)(=O)Cc2noc(Cc3ccccc3)n2)s1 CN(C)[*:1] O=S(=O)(Cc1noc(Cc2ccccc2)n1)c1nnc(s1)[*:1]
CN(C)c1nnc(S(=O)(=O)Cc2noc(Cc3ccccc3)n2)s1 c1ccc(cc1)C[*:1] CN(C)c1nnc(s1)S(=O)(=O)Cc1noc(n1)[*:1]
CN(C)c1nnc(S(=O)(=O)Cc2noc(Cc3ccccc3)n2)s1 CN(C)c1nnc(s1)[*:1] O=S(=O)(Cc1noc(Cc2ccccc2)n1)[*:1]
CC(=O)c1ccc(NC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1C C1CC1[*:1] CC(=O)c1ccc(cc1C)NC(=O)N1CCC[C@H]1C(=O)N[*:1]
CC(=O)c1ccc(NC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1C O=C(NC1CC1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N1CCC[C@@H]1[*:1]
CC(=O)c1ccc(NC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CCC[C@H]1C(=O)NC1CC1
C=CCN(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)[*:1]
C=CCN(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1ccccc1 C=CC[*:1] C[C@@]12CCC(=O)N1[C@@H](CS2)C(=O)N(c1ccccc1)[*:1]
Cc1ccc([C@@H]2CSCCN2C(=O)N[C@@H]2CCC(=O)N(C)C2)o1 Cc1ccc(o1)[*:1] CN1C[C@@H](CCC1=O)NC(=O)N1CCSC[C@H]1[*:1]
Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)n1C FC(F)(F)[*:1] Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(C[*:1])c2C)n1C
Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)n1C Cc1ccccc1[*:1] Cc1cc(C(=O)CSc2nnc(n2C)[*:1])c(C)n1CC(F)(F)F
Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)n1C FC(F)(F)C[*:1] Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(c2C)[*:1])n1C
CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccccc1C Fc1ccc(cc1)[*:1] CCOC(=O)[C@@H]1C(=O)C=C(C[C@H]1c1ccccc1C)[*:1]
CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccccc1C CCOC(=O)[*:1] Cc1ccccc1[C@@H]1CC(=CC(=O)[C@H]1[*:1])c1ccc(F)cc1
CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccccc1C Cc1ccccc1[*:1] CCOC(=O)[C@@H]1C(=O)C=C(C[C@@H]1[*:1])c1ccc(F)cc1
CCC[C@@H](O)Cc1nc([C@@H]2CSCCS2)no1 CCC[*:1] O[C@@H](Cc1nc(no1)[C@@H]1CSCCS1)[*:1]
CCC[C@@H](O)Cc1nc([C@@H]2CSCCS2)no1 CCC[C@@H](O)[*:1] C1CS[C@@H](CS1)c1noc(C[*:1])n1
CN1C(=O)c2cc(C(=O)N3CC[NH+](C)CC3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)N[*:1])C(=O)N1CC[NH+](C)CC1
CN1C(=O)c2cc(C(=O)N3CC[NH+](C)CC3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1C(=O)c2cc(nn2C[C@]1(C)C(=O)NC[*:1])C(=O)N1CC[NH+](C)CC1
O=C(NCc1cccnc1)[C@@H]1CN(c2cnc3ccccc3n2)CCN1 c1cncc(c1)[*:1] O=C(NC[*:1])[C@@H]1CN(CCN1)c1cnc2ccccc2n1
O=C(NCc1cccnc1)[C@@H]1CN(c2cnc3ccccc3n2)CCN1 c1cncc(c1)C[*:1] O=C(N[*:1])[C@@H]1CN(CCN1)c1cnc2ccccc2n1
CC(C)n1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CC(C)n1ccc(n1)C(=O)N(C)[C@@H](C)C[*:1]
CC(C)n1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)n1 CC(C)[*:1] C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccn(n1)[*:1]
O=C(NCCc1ccccc1F)C(=O)Nc1c(F)cccc1F Fc1ccccc1[*:1] O=C(NCC[*:1])C(=O)Nc1c(F)cccc1F
Cn1c(Cn2nc(-c3cccs3)oc2=O)nc2cc(Cl)ccc21 c1csc(c1)[*:1] Cn1c(Cn2nc(oc2=O)[*:1])nc2cc(Cl)ccc21
Cc1ccc(C(=O)CCC(=O)Nc2cc(C(C)C)on2)s1 Cc1ccc(s1)[*:1] CC(C)c1cc(no1)NC(=O)CCC(=O)[*:1]
Cc1ccc(C(=O)CCC(=O)Nc2cc(C(C)C)on2)s1 CC(C)[*:1] Cc1ccc(s1)C(=O)CCC(=O)Nc1cc(on1)[*:1]
C[C@@H]1CN(C(=O)c2cccc(OCC(F)F)n2)CC[C@H]1c1ccccc1 FC(F)[*:1] C[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)c1cccc(n1)OC[*:1]
C[C@@H]1CN(C(=O)c2cccc(OCC(F)F)n2)CC[C@H]1c1ccccc1 FC(F)CO[*:1] C[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)c1cccc(n1)[*:1]
C[C@@H]1CN(C(=O)c2cccc(OCC(F)F)n2)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CN(CC[C@@H]1[*:1])C(=O)c1cccc(n1)OCC(F)F
C[C@@H]1CN(C(=O)c2cccc(OCC(F)F)n2)CC[C@H]1c1ccccc1 FC(F)C[*:1] C[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)c1cccc(n1)O[*:1]
CCc1ccc([C@@H](C)NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc2nc([nH]c2c1)SCC(=O)N[C@H](C)[*:1]
C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1cccc(c1)[*:1])C1CC1
C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
O=C(Nc1cccc2cccnc12)c1ccccc1CN1C(=O)CNC1=O O=C1CNC(=O)N1[*:1] O=C(Nc1cccc2cccnc12)c1ccccc1C[*:1]
O=C(Nc1cccc2cccnc12)c1ccccc1CN1C(=O)CNC1=O O=C1CNC(=O)N1C[*:1] O=C(Nc1cccc2cccnc12)c1ccccc1[*:1]
O=C(COC(=O)c1ccc(Cl)nc1Cl)N[C@H]1CCCc2ccccc21 Clc1ccc(c(Cl)n1)[*:1] O=C(COC(=O)[*:1])N[C@H]1CCCc2ccccc21
NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 Brc1ccc(o1)[*:1] NC(=O)c1cccc(c1)NC(=O)[*:1]
NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 NC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(Br)o1
CC(C)CN1CC2(CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1=O CC(C)C[*:1] O=C(c1cc(O)n[nH]1)N1CCC2(CC1)CC(=O)N(C2)[*:1]
CC(C)CN1CC2(CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1=O Oc1cc([nH]n1)[*:1] CC(C)CN1CC2(CCN(CC2)C(=O)[*:1])CC1=O
CC(C)CN1CC2(CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1=O CC(C)[*:1] O=C1CC2(CCN(CC2)C(=O)c2cc(O)n[nH]2)CN1C[*:1]
COc1ccc(NC(=O)c2nc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)c1nc2nc(cc(n2n1)C(F)(F)F)[*:1]
COc1ccc(NC(=O)c2nc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cc(n2nc(nc2n1)C(=O)N[*:1])C(F)(F)F
COc1ccc(NC(=O)c2nc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)NC(=O)c1nc2nc(cc(n2n1)[*:1])-c1ccc(C)cc1
CCc1nc(CC(=O)N2CCOC[C@H]2c2ncon2)cs1 CCc1nc(cs1)[*:1] O=C(C[*:1])N1CCOC[C@H]1c1ncon1
CCc1nc(CC(=O)N2CCOC[C@H]2c2ncon2)cs1 c1nc(no1)[*:1] CCc1nc(cs1)CC(=O)N1CCOC[C@@H]1[*:1]
Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O CC(C)(C)[*:1] Cc1nn(cc1[C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)[*:1]
Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O C[C@@H](O)CC(C)(C)[*:1] Cc1nn(cc1[C@H](C)[NH2+]C[*:1])C(C)(C)C
Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O C[C@@H](O)[*:1] Cc1nn(cc1[C@H](C)[NH2+]CC(C)(C)C[*:1])C(C)(C)C
Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O C[C@@H](O)C[*:1] Cc1nn(cc1[C@H](C)[NH2+]CC(C)(C)[*:1])C(C)(C)C
O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NCC1(c2ccccc2)CCOCC1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NCC1(CCOCC1)[*:1]
O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NCC1(c2ccccc2)CCOCC1 c1csc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])NCC1(CCOCC1)c1ccccc1
Cc1ccccc1NC(=O)NCC1CCN(c2ncnc3ccccc23)CC1 Cc1ccccc1[*:1] O=C(NCC1CCN(CC1)c1ncnc2ccccc12)N[*:1]
CCSc1nnc(S[C@H](C)C(=O)Nc2ccnn2C(C)C)s1 CC(C)[*:1] CCSc1nnc(S[C@H](C)C(=O)Nc2ccnn2[*:1])s1
CCSc1nnc(S[C@H](C)C(=O)Nc2ccnn2C(C)C)s1 CCS[*:1] CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(s1)[*:1]
Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 Cc1c(Cl)cccc1[*:1] O=S(=O)(N1CCN(CC1)c1nc2ccccc2nc1C(F)(F)F)[*:1]
Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 FC(F)(F)[*:1] Cc1c(Cl)cccc1S(=O)(=O)N1CCN(CC1)c1nc2ccccc2nc1[*:1]
Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccncc1Cl O=[N+]([O-])[*:1] Cc1cc(Cl)c(cc1OC(=O)c1ccncc1Cl)[*:1]
Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccncc1Cl Clc1cnccc1[*:1] Cc1cc(Cl)c(cc1OC(=O)[*:1])[N+](=O)[O-]
COC(=O)c1ccc(C)c(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
Cc1nc(-c2cccc(NC(=O)C[NH+]3CCNC(=O)C3)c2)cs1 Cc1nc(cs1)[*:1] O=C1C[NH+](CCN1)CC(=O)Nc1cccc(c1)[*:1]
CCCCN1C[C@H](C(=O)Nc2cccc(F)c2)CC1=O CCCC[*:1] O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)N(C1)[*:1]
CCCCN1C[C@H](C(=O)Nc2cccc(F)c2)CC1=O CCC[*:1] O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)N(C1)C[*:1]
C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O c1cc2OCOc2cc1[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc2OCOc2c1
C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O c1cc2OCOc2cc1[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc3OCOc3c2)C1=O)[*:1]
OCCN1CC[NH+](Cc2ccc(F)cc2Br)CC1 OCC[*:1] Fc1ccc(C[NH+]2CCN(CC2)[*:1])c(Br)c1
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C C[C@H](CCC(=O)[O-])[*:1] C[C@]12CC[C@@H](O)C[C@H]1[C@@H](O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[*:1]
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C O=C([O-])C[*:1] C[C@H](C[*:1])[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C O=C([O-])[*:1] C[C@H](CC[*:1])[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C O=C([O-])CC[*:1] C[C@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[*:1]
COc1ccc(C)cc1CN1C(=O)N[C@](C)(c2ccccn2)C1=O c1ccc(nc1)[*:1] COc1ccc(C)cc1CN1C(=O)N[C@](C)(C1=O)[*:1]
CC(C)C[C@@H](CO)Nc1nn2cc(-c3ccc(F)cc3)nc2s1 CC(C)[*:1] OC[C@H](C[*:1])Nc1nn2cc(nc2s1)-c1ccc(F)cc1
CC(C)C[C@@H](CO)Nc1nn2cc(-c3ccc(F)cc3)nc2s1 Fc1ccc(cc1)[*:1] CC(C)C[C@@H](CO)Nc1nn2cc(nc2s1)[*:1]
CC(C)C[C@@H](CO)Nc1nn2cc(-c3ccc(F)cc3)nc2s1 CC(C)C[*:1] OC[C@@H](Nc1nn2cc(nc2s1)-c1ccc(F)cc1)[*:1]
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)Nc4ccc(C)cc4)C3)n2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)-c1noc(n1)N1CCC[C@H](C1)C(=O)N[*:1]
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)Nc4ccc(C)cc4)C3)n2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)[C@@H]1CCCN(C1)c1nc(no1)[*:1]
CC(C)(C)C(=O)NNC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 CC(C)(C)[*:1] O=C(NCc1nn(-c2ccccc2)c2CCCc12)NNC(=O)[*:1]
CC(C)(C)C(=O)NNC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 c1ccc(cc1)[*:1] CC(C)(C)C(=O)NNC(=O)NCc1nn(c2CCCc12)[*:1]
COC(C)(C)CNC(=O)N(C)CCOc1ccc(Cl)cc1 COC(C)(C)[*:1] CN(CCOc1ccc(Cl)cc1)C(=O)NC[*:1]
COC(C)(C)CNC(=O)N(C)CCOc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(C)(C)CNC(=O)N(C)CCO[*:1]
COC(C)(C)CNC(=O)N(C)CCOc1ccc(Cl)cc1 COC(C)(C)C[*:1] CN(CCOc1ccc(Cl)cc1)C(=O)N[*:1]
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1 CCOC(=O)[*:1] Cc1ccc(NS(=O)(=O)c2ccc(cc2)[*:1])c(Cl)c1
COc1ccccc1-c1nn2c(-c3ccc(F)cc3)nnc2s1 Fc1ccc(cc1)[*:1] COc1ccccc1-c1nn2c(nnc2s1)[*:1]
CCCCc1ccc(NC(=O)C2=CN(C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)N=C23)cc1 c1ccc(cc1)[*:1] CCCCc1ccc(cc1)NC(=O)C1=CN(C)[C@H]2C(=O)N(C[*:1])C(=O)N=C12
CCCCc1ccc(NC(=O)C2=CN(C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)N=C23)cc1 CCCCc1ccc(cc1)[*:1] CN1C=C(C(=O)N[*:1])C2=NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21
CCCCc1ccc(NC(=O)C2=CN(C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)N=C23)cc1 c1ccc(cc1)C[*:1] CCCCc1ccc(cc1)NC(=O)C1=CN(C)[C@H]2C(=O)N(C(=O)N=C12)[*:1]
CCCCc1ccc(NC(=O)C2=CN(C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)N=C23)cc1 CCCC[*:1] CN1C=C(C(=O)Nc2ccc(cc2)[*:1])C2=NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21
CCCCc1ccc(NC(=O)C2=CN(C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)N=C23)cc1 CCC[*:1] CN1C=C(C(=O)Nc2ccc(cc2)C[*:1])C2=NC(=O)N(Cc3ccccc3)C(=O)[C@@H]21
CCS[C@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)C1 C[C@@H]1CN(CCO1)[*:1] CCS[C@H]1CC[C@@H](C1)NC(=O)NCc1cc[nH+]c(c1)[*:1]
CCS[C@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)C1 CCS[C@H]1CC[C@H](C1)[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)N[*:1]
CCS[C@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCO[C@H](C)C3)c2)C1 CCS[*:1] C[C@@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)N[C@H]1CC[C@@H](C1)[*:1]
Cc1ccc(C[C@H](C)Nc2ccc(C#N)c(N)c2)s1 Cc1ccc(s1)[*:1] C[C@@H](C[*:1])Nc1ccc(C#N)c(N)c1
C[C@@H](NC(=O)Cc1ccc[nH]1)c1ccc(-n2ccnc2)cc1 c1c[nH]c(c1)[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)-n1ccnc1
C[C@@H](NC(=O)Cc1ccc[nH]1)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] C[C@@H](NC(=O)Cc1ccc[nH]1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)Cc1ccc[nH]1)c1ccc(-n2ccnc2)cc1 c1c[nH]c(c1)C[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)-n1ccnc1
C/C(=N/NC(=O)COc1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C/C(=N/NC(=O)CO[*:1])c1ccc(F)cc1
C/C(=N/NC(=O)COc1ccc(F)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=NNC(=O)COc1ccc(F)cc1)[*:1]
C[C@@H](CCn1cncn1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 c1ncn(CC[*:1])n1 C[C@@H]([NH2+][C@H]1CCCN(C1)C(=O)OC(C)(C)C)[*:1]
C[C@@H](CCn1cncn1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C[C@@H](CCn1cncn1)[NH2+][C@H]1CCCN(C1)C(=O)O[*:1]
C[C@@H](CCn1cncn1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 c1ncn(n1)[*:1] C[C@@H](CC[*:1])[NH2+][C@H]1CCCN(C1)C(=O)OC(C)(C)C
C[C@@H](CCn1cncn1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 c1ncn(C[*:1])n1 C[C@@H](C[*:1])[NH2+][C@H]1CCCN(C1)C(=O)OC(C)(C)C
CC[C@H](C)Sc1nnc(NC(C)=O)s1 CC(=O)N[*:1] CC[C@H](C)Sc1nnc(s1)[*:1]
CC[C@H](C)Sc1nnc(NC(C)=O)s1 CC[C@H](C)[*:1] CC(=O)Nc1nnc(S[*:1])s1
CCCCS(=O)(=O)N1CCN(C(C)C)CC1 CCCC[*:1] CC(C)N1CCN(CC1)S(=O)(=O)[*:1]
CCCCS(=O)(=O)N1CCN(C(C)C)CC1 CC(C)[*:1] CCCCS(=O)(=O)N1CCN(CC1)[*:1]
CCCCS(=O)(=O)N1CCN(C(C)C)CC1 CCC[*:1] CC(C)N1CCN(CC1)S(=O)(=O)C[*:1]
Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)NC(=O)CSc1nc2ccc(cc2s1)[*:1]
Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1C Cc1ccc(cc1C)[*:1] O=C(CSc1nc2ccc(cc2s1)[N+](=O)[O-])N[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nc1-c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nc1[*:1]
Cn1c(C(=O)NC[C@@H](O)C2CCOCC2)ccc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(ccc1[*:1])C(=O)NC[C@@H](O)C1CCOCC1
Cn1c(C(=O)NC[C@@H](O)C2CCOCC2)ccc1-c1ccccc1 C1CC(CCO1)[*:1] Cn1c(ccc1-c1ccccc1)C(=O)NC[C@@H](O)[*:1]
CO[C@@]1(C(=O)[O-])CC(c2ccccc2)=CC=C1C c1ccc(cc1)[*:1] CO[C@]1(CC(=CC=C1C)[*:1])C(=O)[O-]
CO[C@@]1(C(=O)[O-])CC(c2ccccc2)=CC=C1C O=C([O-])[*:1] CO[C@]1(CC(=CC=C1C)c1ccccc1)[*:1]
CC(C)c1cc(C(=O)N(Cc2ccccc2)[C@H](C)CCO)nn1C c1ccc(cc1)C[*:1] CC(C)c1cc(nn1C)C(=O)N([C@H](C)CCO)[*:1]
CC(C)c1cc(C(=O)N(Cc2ccccc2)[C@H](C)CCO)nn1C CC(C)[*:1] C[C@H](CCO)N(Cc1ccccc1)C(=O)c1cc(n(C)n1)[*:1]
CC(C)c1cc(C(=O)N(Cc2ccccc2)[C@H](C)CCO)nn1C OCC[*:1] CC(C)c1cc(nn1C)C(=O)N(Cc1ccccc1)[C@H](C)[*:1]
CC(C)c1cc(C(=O)N(Cc2ccccc2)[C@H](C)CCO)nn1C c1ccc(cc1)[*:1] CC(C)c1cc(nn1C)C(=O)N(C[*:1])[C@H](C)CCO
Cc1cc(C)nc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)n1 O=S(=O)(NC1CC1)[*:1] Cc1cc(C)nc(n1)NC(=O)c1cc(c(Cl)cc1Cl)[*:1]
Cc1cc(C)nc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)n1 Cc1cc(C)nc(n1)[*:1] O=C(N[*:1])c1cc(c(Cl)cc1Cl)S(=O)(=O)NC1CC1
Cc1cc(C)nc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)n1 C1CC1[*:1] Cc1cc(C)nc(n1)NC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N[*:1]
O=C(CCl)Nc1nc(-c2ccc(Cl)cc2)cs1 O=C(CCl)N[*:1] Clc1ccc(cc1)-c1csc(n1)[*:1]
CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1 Cc1ccccc1[*:1] CC(=O)N/C(=C\c1cccc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CC(=O)NC(=C[*:1])C(=O)Nc1ccc(cc1)NC(=O)c1ccccc1C
CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1 CC(=O)N[*:1] Cc1ccccc1C(=O)Nc1ccc(cc1)NC(=O)C(=Cc1cccc(c1)[N+](=O)[O-])[*:1]
CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1 O=[N+]([O-])[*:1] CC(=O)N/C(=C\c1cccc(c1)[*:1])C(=O)Nc1ccc(cc1)NC(=O)c1ccccc1C
CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1 Cc1ccccc1C(=O)N[*:1] CC(=O)N/C(=C\c1cccc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)[*:1]
CCCc1[nH+]ccn1[C@H]1Cc2ccc(OC)cc2[C@@H]1O CCC[*:1] COc1ccc2C[C@@H]([C@@H](O)c2c1)n1cc[nH+]c1[*:1]
CCOC(=O)c1cc([N+](=O)[O-])ccc1OCC CCOC(=O)[*:1] CCOc1ccc(cc1[*:1])[N+](=O)[O-]
CCOC(=O)c1cc([N+](=O)[O-])ccc1OCC O=[N+]([O-])[*:1] CCOC(=O)c1cc(ccc1OCC)[*:1]
CCOC(=O)c1cc([N+](=O)[O-])ccc1OCC CCO[*:1] CCOC(=O)c1cc(ccc1[*:1])[N+](=O)[O-]
O=C(COc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 c1ccc(cc1)OC[*:1] O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccco1)[*:1]
O=C(COc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccc(cc1)-c1nnc(o1)-c1ccco1
O=C(COc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 c1coc(c1)[*:1] O=C(COc1ccccc1)Nc1ccc(cc1)-c1nnc(o1)[*:1]
O=C(COc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)-c1nnc(o1)-c1ccco1
CCNc1nnc(S(=O)(=O)C[C@@H](C)CC)s1 CC[C@H](C)[*:1] CCNc1nnc(s1)S(=O)(=O)C[*:1]
CCNc1nnc(S(=O)(=O)C[C@@H](C)CC)s1 CCN[*:1] CC[C@H](C)CS(=O)(=O)c1nnc(s1)[*:1]
CCNc1nnc(S(=O)(=O)C[C@@H](C)CC)s1 CC[C@H](C)C[*:1] CCNc1nnc(s1)S(=O)(=O)[*:1]
N#CCCN(CCC#N)c1ncnc(Nc2ccccc2Br)c1N Brc1ccccc1[*:1] N#CCCN(CCC#N)c1ncnc(N[*:1])c1N
N#CCCN(CCC#N)c1ncnc(Nc2ccccc2Br)c1N N#CCC[*:1] N#CCCN(c1ncnc(Nc2ccccc2Br)c1N)[*:1]
N#CCCN(CCC#N)c1ncnc(Nc2ccccc2Br)c1N N#CC[*:1] N#CCCN(C[*:1])c1ncnc(Nc2ccccc2Br)c1N
N#CCCN(CCC#N)c1ncnc(Nc2ccccc2Br)c1N Brc1ccccc1N[*:1] N#CCCN(CCC#N)c1ncnc(c1N)[*:1]
COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2ccc(F)cc2)cc1=O Cc1cccc(c1C)[*:1] COc1cn(CC(=O)N[*:1])c(cc1=O)CSc1ccc(F)cc1
COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2ccc(F)cc2)cc1=O Fc1ccc(cc1)[*:1] COc1cn(CC(=O)Nc2cccc(C)c2C)c(cc1=O)CS[*:1]
COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2ccc(F)cc2)cc1=O Fc1ccc(cc1)S[*:1] COc1cn(CC(=O)Nc2cccc(C)c2C)c(cc1=O)C[*:1]
COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2ccc(F)cc2)cc1=O Fc1ccc(cc1)SC[*:1] COc1cn(CC(=O)Nc2cccc(C)c2C)c(cc1=O)[*:1]
CC(C)N1C(=O)[C@](C)(C(=O)NC2CCCCC2)Oc2cccnc21 C1CCC(CC1)[*:1] CC(C)N1C(=O)[C@@](C)(Oc2cccnc21)C(=O)N[*:1]
CC(C)N1C(=O)[C@](C)(C(=O)NC2CCCCC2)Oc2cccnc21 CC(C)[*:1] C[C@]1(Oc2cccnc2N(C1=O)[*:1])C(=O)NC1CCCCC1
CC(C)O[C@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 CC(C)O[C@H](C)[*:1] O=C1CCC2(CCN(CC2)C(=O)[*:1])CN1CCc1c[nH]c[nH+]1
CC(C)O[C@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 CC(C)O[*:1] C[C@H](C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1)[*:1]
CC(C)O[C@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 CC(C)[*:1] C[C@@H](O[*:1])C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1
CCOC(=O)CNC(=O)c1sc2cc(C)ccc2c1Cl CCOC(=O)C[*:1] Cc1ccc2c(Cl)c(sc2c1)C(=O)N[*:1]
CCOC(=O)CNC(=O)c1sc2cc(C)ccc2c1Cl CCOC(=O)[*:1] Cc1ccc2c(Cl)c(sc2c1)C(=O)NC[*:1]
Cc1nsc(NC(=O)NC2Cc3ccccc3C2)n1 Cc1nsc(n1)[*:1] O=C(NC1Cc2ccccc2C1)N[*:1]
CS[C@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1F CS[C@H](C)[*:1] Cc1ccc(F)c(c1)NC(=S)NNC(=O)[*:1]
CN(Cc1cnccn1)c1ncccc1S(N)(=O)=O c1cnc(cn1)[*:1] CN(C[*:1])c1ncccc1S(N)(=O)=O
CN(Cc1cnccn1)c1ncccc1S(N)(=O)=O NS(=O)(=O)[*:1] CN(Cc1cnccn1)c1ncccc1[*:1]
Cc1ccc(C(=O)NCC(=O)NCCc2ccccc2[N+](=O)[O-])cc1C Cc1ccc(cc1C)[*:1] O=C(CNC(=O)[*:1])NCCc1ccccc1[N+](=O)[O-]
Cc1ccc(C(=O)NCC(=O)NCCc2ccccc2[N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1ccc(cc1C)C(=O)NCC(=O)NCCc1ccccc1[*:1]
CNC(=O)CCC[NH+](C)Cc1cc(C)n(-c2nccs2)c1C CNC(=O)CC[*:1] Cc1cc(C[NH+](C)C[*:1])c(C)n1-c1nccs1
CNC(=O)CCC[NH+](C)Cc1cc(C)n(-c2nccs2)c1C CNC(=O)CCC[*:1] Cc1cc(C[NH+](C)[*:1])c(C)n1-c1nccs1
CNC(=O)CCC[NH+](C)Cc1cc(C)n(-c2nccs2)c1C CNC(=O)[*:1] Cc1cc(C[NH+](C)CCC[*:1])c(C)n1-c1nccs1
CNC(=O)CCC[NH+](C)Cc1cc(C)n(-c2nccs2)c1C c1csc(n1)[*:1] CNC(=O)CCC[NH+](C)Cc1cc(C)n(c1C)[*:1]
CNC(=O)CCC[NH+](C)Cc1cc(C)n(-c2nccs2)c1C CNC(=O)C[*:1] Cc1cc(C[NH+](C)CC[*:1])c(C)n1-c1nccs1
Cc1nnnn1-c1cc(NC(=O)[C@@H](C)c2cccs2)ccc1F Cc1nnnn1[*:1] C[C@H](C(=O)Nc1ccc(F)c(c1)[*:1])c1cccs1
Cc1nnnn1-c1cc(NC(=O)[C@@H](C)c2cccs2)ccc1F C[C@@H](c1cccs1)[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)[*:1]
Cc1nnnn1-c1cc(NC(=O)[C@@H](C)c2cccs2)ccc1F c1csc(c1)[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)[C@@H](C)[*:1]
CCOC(=O)N/N=C1\CCCc2oc(C(=O)NCc3ccccc3Cl)c(C)c21 Clc1ccccc1C[*:1] CCOC(=O)N/N=C1\CCCc2oc(C(=O)N[*:1])c(C)c21
CCOC(=O)N/N=C1\CCCc2oc(C(=O)NCc3ccccc3Cl)c(C)c21 Clc1ccccc1[*:1] CCOC(=O)N/N=C1\CCCc2oc(C(=O)NC[*:1])c(C)c21
O=S(=O)(NCCSc1ccc(C(F)(F)F)cn1)c1ccccc1 FC(F)(F)[*:1] O=S(=O)(NCCSc1ccc(cn1)[*:1])c1ccccc1
O=S(=O)(NCCSc1ccc(C(F)(F)F)cn1)c1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(NCCSc1ccc(cn1)C(F)(F)F)[*:1]
CC(C)CCCNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 CC(C)CC[*:1] O=C(NC[*:1])c1cccc(c1)N1NC(=O)[C@@H]2CC=CC[C@@H]2C1=O
CC(C)CCCNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 CC(C)C[*:1] O=C(NCC[*:1])c1cccc(c1)N1NC(=O)[C@@H]2CC=CC[C@@H]2C1=O
CC(C)CCCNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 CC(C)[*:1] O=C(NCCC[*:1])c1cccc(c1)N1NC(=O)[C@@H]2CC=CC[C@@H]2C1=O
CC(C)CCCNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 CC(C)CCCNC(=O)[*:1] O=C1NN(C(=O)[C@H]2CC=CC[C@@H]12)c1cccc(c1)[*:1]
CC(C)CCCNC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 CC(C)CCC[*:1] O=C(N[*:1])c1cccc(c1)N1NC(=O)[C@@H]2CC=CC[C@@H]2C1=O
NC(=[NH2+])c1ccc(COC2CCOCC2)cc1 NC(=[NH2+])[*:1] c1cc(ccc1COC1CCOCC1)[*:1]
O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nnc(SCc2ccc(cc2)[N+](=O)[O-])s1)[*:1]
O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 O=[N+]([O-])[*:1] O=C(Nc1nnc(SCc2ccc(cc2)[*:1])s1)c1ccccc1
Cc1cccc2nnc(N3CCC[C@@H](C(=O)NCc4cccs4)C3)n12 c1csc(c1)[*:1] Cc1cccc2nnc(N3CCC[C@H](C3)C(=O)NC[*:1])n12
Cc1cccc2nnc(N3CCC[C@@H](C(=O)NCc4cccs4)C3)n12 c1csc(c1)C[*:1] Cc1cccc2nnc(N3CCC[C@H](C3)C(=O)N[*:1])n12
Cl[C@@H](Cc1ccc2ccccc2n1)C1CCOCC1 C1CC(CCO1)[*:1] Cl[C@@H](Cc1ccc2ccccc2n1)[*:1]
COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC c1csc(c1)[*:1] COc1cc(cc(OC)c1OC)[C@@H]1CC(=O)NC2C[C@H](CC(=O)C=21)[*:1]
Cc1cc2nnc(C(=O)/C=C/N(C)C)c(C)n2n1 CN(C)C=C[*:1] Cc1cc2nnc(C(=O)[*:1])c(C)n2n1
Cc1cc2nnc(C(=O)/C=C/N(C)C)c(C)n2n1 CN(C)[*:1] Cc1cc2nnc(C(=O)C=C[*:1])c(C)n2n1
CN(C)CC[NH+](Cc1ccsc1)Cc1cccs1 c1cc(cs1)[*:1] CN(C)CC[NH+](Cc1cccs1)C[*:1]
CN(C)CC[NH+](Cc1ccsc1)Cc1cccs1 CN(C)[*:1] c1csc(c1)C[NH+](CC[*:1])Cc1ccsc1
CN(C)CC[NH+](Cc1ccsc1)Cc1cccs1 CN(C)C[*:1] c1csc(c1)C[NH+](Cc1ccsc1)C[*:1]
CN(C)CC[NH+](Cc1ccsc1)Cc1cccs1 c1csc(c1)C[*:1] CN(C)CC[NH+](Cc1ccsc1)[*:1]
CN(C)CC[NH+](Cc1ccsc1)Cc1cccs1 c1csc(c1)[*:1] CN(C)CC[NH+](Cc1ccsc1)C[*:1]
CN(C)CC[NH+](Cc1ccsc1)Cc1cccs1 c1cc(cs1)C[*:1] CN(C)CC[NH+](Cc1cccs1)[*:1]
CN(C)CC[NH+](Cc1ccsc1)Cc1cccs1 CN(C)CC[*:1] c1csc(c1)C[NH+](Cc1ccsc1)[*:1]
Cc1ccc(C(=O)Nc2nnc(SCc3cc(=O)n4oc(C)cc4n3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1cc2nc(cc(=O)n2o1)CSc1nnc(NC(=O)[*:1])s1
CN1CCN(C(=O)NCCNC(=O)c2cccnc2)[C@H](c2ccccc2)C1 O=C(N[*:1])c1cccnc1 CN1CCN(C(=O)NCC[*:1])[C@@H](C1)c1ccccc1
CN1CCN(C(=O)NCCNC(=O)c2cccnc2)[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CN1CCN(C(=O)NCCNC(=O)c2cccnc2)[C@H](C1)[*:1]
CN1CCN(C(=O)NCCNC(=O)c2cccnc2)[C@H](c2ccccc2)C1 c1cncc(c1)[*:1] CN1CCN(C(=O)NCCNC(=O)[*:1])[C@@H](C1)c1ccccc1
FC(F)(F)c1cccnc1CN1CCc2ccccc2CC1 FC(F)(F)[*:1] c1ccc2CCN(CCc2c1)Cc1ncccc1[*:1]
Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](C)c1cccs1)C2 c1csc(c1)[*:1] Cc1cn2C[C@H](CCc2[nH+]1)NC(=O)[C@H](C)[*:1]
CCCN(CCC)S(=O)(=O)c1cc(Cl)ccc1C#N CCC[*:1] CCCN(S(=O)(=O)c1cc(Cl)ccc1C#N)[*:1]
Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)N(C(=O)c1csnn1)[C@H](C(=O)NC1CCCCC1)[*:1]
Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccccn2)cc1 O=C(NC1CCCCC1)[*:1] Cc1ccc(cc1)N(C(=O)c1csnn1)[C@H](c1ccccn1)[*:1]
Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccccn2)cc1 C1CCC(CC1)[*:1] Cc1ccc(cc1)N(C(=O)c1csnn1)[C@H](C(=O)N[*:1])c1ccccn1
Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccccn2)cc1 c1snnc1[*:1] Cc1ccc(cc1)N(C(=O)[*:1])[C@H](C(=O)NC1CCCCC1)c1ccccn1
Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccccn2)cc1 Cc1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@H](c1ccccn1)N(C(=O)c1csnn1)[*:1]
N/C(C[C@H]1CC(c2ccc(F)cc2)=NO1)=N\O N/C(C[*:1])=N\O Fc1ccc(cc1)C1C[C@@H](ON=1)[*:1]
N/C(C[C@H]1CC(c2ccc(F)cc2)=NO1)=N\O N/C(=N\O)[*:1] Fc1ccc(cc1)C1C[C@H](C[*:1])ON=1
CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(c3nc(-c4ccncc4)no3)C2)cc1 CN(C)S(=O)(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CC(C1)c1nc(no1)-c1ccncc1
CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(c3nc(-c4ccncc4)no3)C2)cc1 c1cc(ccn1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N1CC(C1)c1nc(no1)[*:1]
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCC(O)CC1 OC1CCC(CC1)[*:1] C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[*:1]
Cc1nnc2ccc(N3CCC[C@@H](c4ccccc4)CC3)nn12 c1ccc(cc1)[*:1] Cc1nnc2ccc(nn12)N1CCC[C@@H](CC1)[*:1]
CC[NH2+][C@H]1CCN(CCCCOC)[C@H](C)[C@@H]1C COCCC[*:1] CC[NH2+][C@H]1CCN(C[*:1])[C@H](C)[C@@H]1C
CC[NH2+][C@H]1CCN(CCCCOC)[C@H](C)[C@@H]1C COC[*:1] CC[NH2+][C@H]1CCN(CCC[*:1])[C@H](C)[C@@H]1C
CC[NH2+][C@H]1CCN(CCCCOC)[C@H](C)[C@@H]1C COCC[*:1] CC[NH2+][C@H]1CCN(CC[*:1])[C@H](C)[C@@H]1C
COc1ccc(/C=C/C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)c(OC)c1 C1CN(CCO1)[*:1] COc1ccc(/C=C/C(=O)N[C@@H](C)[C@H](C)[*:1])c(c1)OC
CC[C@@H](CNC(=O)NC[C@@H](O)c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CNC(=O)NC[C@@H](O)c1ccc(F)cc1)[*:1]
CC[C@@H](CNC(=O)NC[C@@H](O)c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] CC[C@@H](CNC(=O)NC[C@@H](O)[*:1])c1ccccc1
COCCS(=O)(=O)CC(=O)Nc1nc2ccc(N)cc2s1 COCCS(=O)(=O)[*:1] Nc1ccc2nc(NC(=O)C[*:1])sc2c1
COCCS(=O)(=O)CC(=O)Nc1nc2ccc(N)cc2s1 COC[*:1] Nc1ccc2nc(NC(=O)CS(=O)(=O)C[*:1])sc2c1
COCCS(=O)(=O)CC(=O)Nc1nc2ccc(N)cc2s1 COCC[*:1] Nc1ccc2nc(NC(=O)CS(=O)(=O)[*:1])sc2c1
Cc1ccc2oc(C(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 Clc1cccc(c1)[*:1] Cc1ccc2oc(C(=O)N(C[*:1])[C@@H]3CCS(=O)(=O)C3)c(C)c2c1
Cc1ccc2oc(C(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 Clc1cccc(c1)C[*:1] Cc1ccc2oc(C(=O)N([C@@H]3CCS(=O)(=O)C3)[*:1])c(C)c2c1
CC(=O)Nc1ccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)cc1 Fc1ccccc1N[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CSc1nnc(s1)[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)cc1 CC(=O)N[*:1] O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)cc1 Fc1ccccc1[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CSc1nnc(N[*:1])s1
CCc1ccsc1C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CCc1ccsc1C(=O)N[C@@H](C)c1noc(n1)[*:1]
CCc1ccsc1C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 CCc1ccsc1[*:1] C[C@H](NC(=O)[*:1])c1noc(n1)-c1ccc(Cl)cc1
Cc1nc(-c2cccs2)ccc1C(=O)NCCCc1c(C)noc1C Cc1noc(C)c1C[*:1] Cc1nc(ccc1C(=O)NCC[*:1])-c1cccs1
Cc1nc(-c2cccs2)ccc1C(=O)NCCCc1c(C)noc1C Cc1noc(C)c1[*:1] Cc1nc(ccc1C(=O)NCCC[*:1])-c1cccs1
Cc1nc(-c2cccs2)ccc1C(=O)NCCCc1c(C)noc1C c1csc(c1)[*:1] Cc1nc(ccc1C(=O)NCCCc1c(C)noc1C)[*:1]
CCn1ncc(NC(=S)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1C Clc1ccc(cc1)[*:1] CCn1ncc(NC(=S)Nc2cnn(c2)C[*:1])c1C
CCn1ncc(NC(=S)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1C Clc1ccc(cc1)C[*:1] CCn1ncc(NC(=S)Nc2cnn(c2)[*:1])c1C
CCn1ncc(NC(=S)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1C CCn1ncc(c1C)[*:1] S=C(Nc1cnn(c1)Cc1ccc(Cl)cc1)N[*:1]
CC(C)[C@H](CC[NH3+])CCC(=O)N[C@H]1CCCC1(C)C [NH3+]CC[*:1] CC(C)[C@H](CCC(=O)N[C@H]1CCCC1(C)C)[*:1]
CC(C)[C@H](CC[NH3+])CCC(=O)N[C@H]1CCCC1(C)C CC(C)[*:1] CC1(C)CCC[C@@H]1NC(=O)CC[C@@H](CC[NH3+])[*:1]
COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)N[C@H]1CCCc2c1cnn2C[*:1]
COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)N[C@H]1CCCc2c1cnn2[*:1]
COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)[*:1]
O=S(=O)(c1cccc2nsnc12)N1CCN(CCOc2cccc(Cl)c2)CC1 Clc1cccc(c1)O[*:1] O=S(=O)(c1cccc2nsnc12)N1CCN(CC1)CC[*:1]
O=S(=O)(c1cccc2nsnc12)N1CCN(CCOc2cccc(Cl)c2)CC1 Clc1cccc(c1)OC[*:1] O=S(=O)(c1cccc2nsnc12)N1CCN(CC1)C[*:1]
O=S(=O)(c1cccc2nsnc12)N1CCN(CCOc2cccc(Cl)c2)CC1 c1cc(c2nsnc2c1)[*:1] O=S(=O)(N1CCN(CCOc2cccc(Cl)c2)CC1)[*:1]
O=S(=O)(c1cccc2nsnc12)N1CCN(CCOc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=S(=O)(c1cccc2nsnc12)N1CCN(CCO[*:1])CC1
CC(C)Oc1cccc(C(=O)c2ccccc2F)c1 CC(C)O[*:1] O=C(c1cccc(c1)[*:1])c1ccccc1F
CC(C)Oc1cccc(C(=O)c2ccccc2F)c1 CC(C)[*:1] O=C(c1cccc(c1)O[*:1])c1ccccc1F
C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1ncccn1 c1cnc(nc1)[*:1] C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)N[*:1]
O=C(NCCNc1ncccn1)c1nc(N2CCCCC2)ncc1Cl c1cnc(nc1)[*:1] O=C(NCCN[*:1])c1nc(ncc1Cl)N1CCCCC1
O=C(NCCNc1ncccn1)c1nc(N2CCCCC2)ncc1Cl c1cnc(nc1)N[*:1] O=C(NCC[*:1])c1nc(ncc1Cl)N1CCCCC1
O=C(NCCNc1ncccn1)c1nc(N2CCCCC2)ncc1Cl c1cnc(nc1)NC[*:1] O=C(NC[*:1])c1nc(ncc1Cl)N1CCCCC1
O=C(NCCNc1ncccn1)c1nc(N2CCCCC2)ncc1Cl C1CCN(CC1)[*:1] O=C(NCCNc1ncccn1)c1nc(ncc1Cl)[*:1]
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1c(C)noc1C Cc1noc(C)c1[*:1] CCCN(Cc1nnc(o1)-c1ccccc1Cl)C(=O)C[*:1]
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1c(C)noc1C CCC[*:1] Cc1noc(C)c1CC(=O)N(Cc1nnc(o1)-c1ccccc1Cl)[*:1]
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1c(C)noc1C Clc1ccccc1[*:1] CCCN(Cc1nnc(o1)[*:1])C(=O)Cc1c(C)noc1C
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1c(C)noc1C Cc1noc(C)c1C[*:1] CCCN(Cc1nnc(o1)-c1ccccc1Cl)C(=O)[*:1]
C=C(C)Cn1c(CC(C)C)nc2ccccc21 CC(C)[*:1] C=C(C)Cn1c(C[*:1])nc2ccccc21
C=C(C)Cn1c(CC(C)C)nc2ccccc21 CC(C)C[*:1] C=C(C)Cn1c(nc2ccccc21)[*:1]
C=C(C)Cn1c(CC(C)C)nc2ccccc21 C=C(C)[*:1] CC(C)Cc1nc2ccccc2n1C[*:1]
C=C(C)Cn1c(CC(C)C)nc2ccccc21 C=C(C)C[*:1] CC(C)Cc1nc2ccccc2n1[*:1]
COC(=O)c1[nH]/c(=N/C(=O)Cn2ccc3c(Br)cccc32)sc1C COC(=O)[*:1] Cc1s/c(=N\C(=O)Cn2ccc3c(Br)cccc32)[nH]c1[*:1]
CCc1nc(C)c([C@H](C)NC[C@@H](C)c2c(C)noc2C)s1 Cc1noc(C)c1[*:1] CCc1nc(C)c(s1)[C@H](C)NC[C@@H](C)[*:1]
O=c1[nH]c(/C=C\c2ccc(F)cc2)nc([O-])c1[N+](=O)[O-] O=[N+]([O-])[*:1] O=c1[nH]c(/C=C\c2ccc(F)cc2)nc([O-])c1[*:1]
O=C(Nc1nnc(-c2ccncc2)s1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1nnc(s1)-c1ccncc1)c1ccc(cc1)[*:1]
O=C(Nc1nnc(-c2ccncc2)s1)c1ccc([N+](=O)[O-])cc1 c1cc(ccn1)[*:1] O=C(Nc1nnc(s1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(=O)c1ccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 CC(=O)c1ccc(cc1)[*:1] O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CC(=O)c1ccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 CC(=O)[*:1] O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 O=C([O-])[*:1] CC(=O)c1ccc(cc1)N1/C(=N/C(=O)CC[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
CC(=O)c1ccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 O=C([O-])C[*:1] CC(=O)c1ccc(cc1)N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
CC(=O)c1ccc(N2/C(=N/C(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 O=C([O-])CC[*:1] CC(=O)c1ccc(cc1)N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
CCC[NH2+]C[C@@H]1CCCO[C@H]1[C@H]1CC=CCC1 CCC[*:1] C1=CC[C@@H](CC1)[C@@H]1OCCC[C@H]1C[NH2+][*:1]
CCn1cnnc1CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 CCn1cnnc1[*:1] O=S(=O)(NC[*:1])c1cccc(c1)OC(F)(F)F
CCn1cnnc1CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] CCn1cnnc1CNS(=O)(=O)c1cccc(c1)[*:1]
CCn1cnnc1CNS(=O)(=O)c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] CCn1cnnc1CNS(=O)(=O)c1cccc(c1)O[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 CC(C)[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccnn1[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)n1nccc1NC(=O)[C@H](C)O[*:1]
O=C([O-])c1ccccc1SCc1ccccc1F O=C([O-])[*:1] Fc1ccccc1CSc1ccccc1[*:1]
COCCCCNS(=O)(=O)c1cc(Cl)ccc1C COC[*:1] Cc1ccc(Cl)cc1S(=O)(=O)NCCC[*:1]
COCCCCNS(=O)(=O)c1cc(Cl)ccc1C COCCCC[*:1] Cc1ccc(Cl)cc1S(=O)(=O)N[*:1]
COCCCCNS(=O)(=O)c1cc(Cl)ccc1C COCCC[*:1] Cc1ccc(Cl)cc1S(=O)(=O)NC[*:1]
COCCCCNS(=O)(=O)c1cc(Cl)ccc1C COCC[*:1] Cc1ccc(Cl)cc1S(=O)(=O)NCC[*:1]
CC(=O)c1cc(F)c(C)cc1N1CCC[C@H](C)C1 CC(=O)[*:1] Cc1cc(c(cc1F)[*:1])N1CCC[C@H](C)C1
O=C(NCC(F)(F)F)NNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 FC(F)(F)C[*:1] O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)N[*:1]
O=C(NCC(F)(F)F)NNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 FC(F)(F)[*:1] O=C(NC[*:1])NNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1
O=C(NCC(F)(F)F)NNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCC(F)(F)F)NNC(=O)[C@H]1C[C@H]1[*:1]
Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cnn(C)c2)c(C)c1 Cn1cc(cn1)[*:1] Cc1ccc(NC(=O)C(=O)N[C@@H](C)[*:1])c(C)c1
O=[N+]([O-])[C@@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] O=S1(=O)CC[C@H](C1)[*:1]
Cc1ccccc1OCCCN(C)C(=O)N[C@@H]1C=C[C@H](CO)C1 Cc1ccccc1[*:1] CN(CCCO[*:1])C(=O)N[C@@H]1C=C[C@H](CO)C1
Cc1cccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)Cc1cnc(NC(=O)c2ccc(cc2)[*:1])s1
Cc1cccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 Cc1cccc(c1)[*:1] O=C(Nc1ncc(C[*:1])s1)c1ccc(cc1)[N+](=O)[O-]
Cc1cccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 Cc1cccc(c1)C[*:1] O=C(Nc1ncc(s1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CCOc1ccc(N(Cc2ccc(C(=O)[O-])cc2)S(C)(=O)=O)cc1 CCO[*:1] CS(=O)(=O)N(Cc1ccc(cc1)C(=O)[O-])c1ccc(cc1)[*:1]
CCOc1ccc(N(Cc2ccc(C(=O)[O-])cc2)S(C)(=O)=O)cc1 O=C([O-])[*:1] CCOc1ccc(cc1)N(Cc1ccc(cc1)[*:1])S(C)(=O)=O
N#Cc1ccc2ncc(CN3CC[C@@](O)(C(F)(F)F)C3)n2c1 FC(F)(F)[*:1] N#Cc1ccc2ncc(CN3CC[C@@](O)(C3)[*:1])n2c1
O=C(CCc1ccsc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] O=C(CCc1ccsc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CCc1ccsc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 c1cc(cs1)CC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccnc1)[*:1]
O=C(CCc1ccsc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 c1cc(cs1)C[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1cccnc1
O=C(CCc1ccsc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 c1cc(cs1)[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1cccnc1
Cc1cncc(NC(=O)Nc2cnc3ccccc3c2)c1 Cc1cncc(c1)[*:1] O=C(Nc1cnc2ccccc2c1)N[*:1]
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1NN2C(C(F)(F)F)=CC(c3cccs3)=N[C@H]2[C@@H]1Cl c1csc(c1)[*:1] O=C(NCCc1c[nH]c2ccccc12)[C@@H]1NN2C(=CC(=N[C@H]2[C@@H]1Cl)[*:1])C(F)(F)F
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1NN2C(C(F)(F)F)=CC(c3cccs3)=N[C@H]2[C@@H]1Cl FC(F)(F)[*:1] O=C(NCCc1c[nH]c2ccccc12)[C@@H]1NN2C(=CC(=N[C@H]2[C@@H]1Cl)c1cccs1)[*:1]
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1NN2C(C(F)(F)F)=CC(c3cccs3)=N[C@H]2[C@@H]1Cl c1ccc2c(c[nH]c2c1)C[*:1] O=C(NC[*:1])[C@@H]1NN2C(=CC(=N[C@H]2[C@@H]1Cl)c1cccs1)C(F)(F)F
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1NN2C(C(F)(F)F)=CC(c3cccs3)=N[C@H]2[C@@H]1Cl c1ccc2c(c[nH]c2c1)[*:1] O=C(NCC[*:1])[C@@H]1NN2C(=CC(=N[C@H]2[C@@H]1Cl)c1cccs1)C(F)(F)F
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1NN2C(C(F)(F)F)=CC(c3cccs3)=N[C@H]2[C@@H]1Cl c1ccc2c(c[nH]c2c1)CC[*:1] O=C(N[*:1])[C@@H]1NN2C(=CC(=N[C@H]2[C@@H]1Cl)c1cccs1)C(F)(F)F
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2csc(-c3ccoc3)n2)C1 c1cc(co1)[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)c1csc(n1)[*:1]
CN1C(=O)N(C)[C@@H](Cl)C(C(=O)Nc2cccc(Cl)c2)=C1[O-] Clc1cccc(c1)[*:1] CN1C(=O)N(C)[C@@H](Cl)C(C(=O)N[*:1])=C1[O-]
C[C@H](c1ccccc1)N(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 C[C@H](c1ccccc1)[*:1] CN(C(=O)C1C=CC2=NS(=O)(=O)CCN2C=1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)C1C=CC2=NS(=O)(=O)CCN2C=1)[*:1]
CC(C)[NH+](CC[NH3+])Cc1ccc(Cl)c(Cl)c1 CC(C)[*:1] [NH3+]CC[NH+](Cc1ccc(Cl)c(Cl)c1)[*:1]
O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(NCCc1c[nH]c2ccccc12)c1cc(on1)[*:1]
C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccccc1Br FC(F)(F)[*:1] C[C@H](NC(=O)Cn1cc(ccc1=O)[*:1])c1ccccc1Br
C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccccc1Br Brc1ccccc1[*:1] C[C@H](NC(=O)Cn1cc(ccc1=O)C(F)(F)F)[*:1]
C[C@H](CCc1cccn1C)NC(=O)/C=C/c1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@H](CCc1cccn1C)NC(=O)/C=C/c1ccc(cc1)[*:1]
C[C@H](CCc1cccn1C)NC(=O)/C=C/c1ccc(C(N)=O)cc1 Cn1cccc1[*:1] C[C@H](CC[*:1])NC(=O)/C=C/c1ccc(cc1)C(N)=O
C[C@H](CCc1cccn1C)NC(=O)/C=C/c1ccc(C(N)=O)cc1 Cn1cccc1C[*:1] C[C@H](C[*:1])NC(=O)/C=C/c1ccc(cc1)C(N)=O
C[C@H](CCc1cccn1C)NC(=O)/C=C/c1ccc(C(N)=O)cc1 Cn1cccc1CC[*:1] C[C@H](NC(=O)/C=C/c1ccc(cc1)C(N)=O)[*:1]
CN(Cc1ccncc1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)[*:1] CN(Cc1ccncc1)C(=O)c1ccc(cc1)C(=O)O[*:1]
CN(Cc1ccncc1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 CC(C)(C)OC(=O)[*:1] CN(Cc1ccncc1)C(=O)c1ccc(cc1)[*:1]
CN(Cc1ccncc1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 c1cc(ccn1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)C(=O)OC(C)(C)C
CN(Cc1ccncc1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 c1cc(ccn1)C[*:1] CN(C(=O)c1ccc(cc1)C(=O)OC(C)(C)C)[*:1]
CCCCc1oc2ccccc2c1/C=C/C(=O)NCC1(O)CCOCC1 OC1(CCOCC1)[*:1] CCCCc1oc2ccccc2c1/C=C/C(=O)NC[*:1]
CCCCc1oc2ccccc2c1/C=C/C(=O)NCC1(O)CCOCC1 CCCC[*:1] O=C(/C=C/c1c(oc2ccccc12)[*:1])NCC1(O)CCOCC1
CCCCc1oc2ccccc2c1/C=C/C(=O)NCC1(O)CCOCC1 CCC[*:1] O=C(/C=C/c1c(C[*:1])oc2ccccc12)NCC1(O)CCOCC1
CCCCc1oc2ccccc2c1/C=C/C(=O)NCC1(O)CCOCC1 OC1(CCOCC1)C[*:1] CCCCc1oc2ccccc2c1/C=C/C(=O)N[*:1]
O=C(CSc1nc2ccccc2o1)Nc1nc2cc([N+](=O)[O-])ccc2s1 O=[N+]([O-])[*:1] O=C(CSc1nc2ccccc2o1)Nc1nc2cc(ccc2s1)[*:1]
CCCCSc1nc(N)cc(N2CC[C@@H](C[NH3+])C2)n1 CCCC[*:1] Nc1cc(nc(n1)S[*:1])N1CC[C@@H](C[NH3+])C1
CCCCSc1nc(N)cc(N2CC[C@@H](C[NH3+])C2)n1 CCC[*:1] Nc1cc(nc(n1)SC[*:1])N1CC[C@@H](C[NH3+])C1
CCCCSc1nc(N)cc(N2CC[C@@H](C[NH3+])C2)n1 CCCCS[*:1] Nc1cc(nc(n1)[*:1])N1CC[C@@H](C[NH3+])C1
CCOc1ccc(NC(=O)CCn2ccccc2=O)cc1Cl O=c1ccccn1[*:1] CCOc1ccc(cc1Cl)NC(=O)CC[*:1]
CCOc1ccc(NC(=O)CCn2ccccc2=O)cc1Cl CCO[*:1] O=C(CCn1ccccc1=O)Nc1ccc(c(Cl)c1)[*:1]
CC(=O)c1cccc(Oc2ncnc3sccc23)c1 CC(=O)[*:1] c1cc(cc(c1)[*:1])Oc1ncnc2sccc12
O=C(N[C@@H]1CCCN(c2ccccc2)C1)N1CC[C@]2(CCOC2)C1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCCN(C1)[*:1])N1CC[C@]2(CCOC2)C1
CC1=c2cc(C)ccc2=[NH+][C@H]1C(=O)N(C)C[C@@H]1NC(c2ccccn2)=NO1 c1ccc(nc1)[*:1] CC1=c2cc(C)ccc2=[NH+][C@H]1C(=O)N(C)C[C@@H]1NC(=NO1)[*:1]
COc1ccc([C@@H]2OC[C@H]3O[C@H](OC)[C@@H](OCc4ccccc4)[C@H](O)[C@H]3O2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H]1OC[C@H]2O[C@H](OC)[C@@H](O[*:1])[C@H](O)[C@H]2O1
COc1ccc([C@@H]2OC[C@H]3O[C@H](OC)[C@@H](OCc4ccccc4)[C@H](O)[C@H]3O2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1OC[C@H]2O[C@H](OC)[C@@H](OC[*:1])[C@H](O)[C@H]2O1
COc1ccc([C@@H]2OC[C@H]3O[C@H](OC)[C@@H](OCc4ccccc4)[C@H](O)[C@H]3O2)cc1 c1ccc(cc1)CO[*:1] COc1ccc(cc1)[C@@H]1OC[C@H]2O[C@H](OC)[C@@H]([C@H](O)[C@H]2O1)[*:1]
COc1ccc([C@@H]2OC[C@H]3O[C@H](OC)[C@@H](OCc4ccccc4)[C@H](O)[C@H]3O2)cc1 COc1ccc(cc1)[*:1] CO[C@H]1O[C@@H]2CO[C@H](O[C@@H]2[C@@H](O)[C@@H]1OCc1ccccc1)[*:1]
O=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(OC(F)F)cc1 Clc1cccc(Cl)c1[*:1] O=C(C[*:1])NCCc1ccc(cc1)OC(F)F
O=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(cc1)O[*:1]
O=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(cc1)[*:1]
O=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 Fc1ccc(cc1)[*:1] O=c1ccc(nn1Cc1nc(no1)-c1cccc(c1)C(F)(F)F)[*:1]
O=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 FC(F)(F)[*:1] O=c1ccc(nn1Cc1nc(no1)-c1cccc(c1)[*:1])-c1ccc(F)cc1
O=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 FC(F)(F)c1cccc(c1)[*:1] O=c1ccc(nn1Cc1nc(no1)[*:1])-c1ccc(F)cc1
CNC(=O)c1cccc(CCNC(=O)NNc2ccccn2)c1 c1ccc(nc1)[*:1] CNC(=O)c1cccc(c1)CCNC(=O)NN[*:1]
CNC(=O)c1cccc(CCNC(=O)NNc2ccccn2)c1 CNC(=O)[*:1] O=C(NCCc1cccc(c1)[*:1])NNc1ccccn1
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(-c2ccccc2)cc1 C1CO[C@H](C1)[*:1] C[C@@H](OC[*:1])C(=O)Nc1ccc(cc1)-c1ccccc1
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](c1ccccc1F)N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H](c1ccccc1F)N(C)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H](c1ccccc1F)N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 Fc1ccccc1[*:1] C[C@@H](N(C)S(=O)(=O)c1ccc(cc1)S(C)(=O)=O)[*:1]
C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)NC(=O)NC1CCCCC1 FC(F)(F)[*:1] C[C@@H](Sc1nc(nc2ccccc12)[*:1])C(=O)NC(=O)NC1CCCCC1
C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H](Sc1nc(nc2ccccc12)C(F)(F)F)C(=O)NC(=O)N[*:1]
O=S1(=O)C[C@@H](OS(=O)(=O)[O-])[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=S1(=O)C[C@@H](OS(=O)(=O)[O-])[C@H](C1)[*:1]
O=S1(=O)C[C@@H](OS(=O)(=O)[O-])[C@H](c2ccccc2)C1 O=S(=O)([O-])O[*:1] O=S1(=O)C[C@@H](c2ccccc2)[C@H](C1)[*:1]
CN(C(=O)NCc1ncn(C)n1)[C@H]1CCN(c2ccccc2Cl)C1=O Cn1cnc(C[*:1])n1 CN(C(=O)N[*:1])[C@H]1CCN(C1=O)c1ccccc1Cl
CN(C(=O)NCc1ncn(C)n1)[C@H]1CCN(c2ccccc2Cl)C1=O Cn1cnc(n1)[*:1] CN(C(=O)NC[*:1])[C@H]1CCN(C1=O)c1ccccc1Cl
CN(C(=O)NCc1ncn(C)n1)[C@H]1CCN(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] CN(C(=O)NCc1ncn(C)n1)[C@H]1CCN(C1=O)[*:1]
CCc1ccccc1NC(=O)Cn1cnc2nc3c(cc2c1=O)CCCC3 CCc1ccccc1[*:1] O=C(Cn1cnc2nc3CCCCc3cc2c1=O)N[*:1]
CC[NH2+][C@]1(C(=O)[O-])CC[C@H](N(C)CC[NH+]2CCCC2)C1 O=C([O-])[*:1] CC[NH2+][C@@]1(CC[C@@H](C1)N(C)CC[NH+]1CCCC1)[*:1]
CCCC[NH+](C)Cc1c(C)[nH]c2c(C)cccc2c1=O CCC[*:1] Cc1[nH]c2c(C)cccc2c(=O)c1C[NH+](C)C[*:1]
CCCC[NH+](C)Cc1c(C)[nH]c2c(C)cccc2c1=O CCCC[*:1] Cc1[nH]c2c(C)cccc2c(=O)c1C[NH+](C)[*:1]
CCc1cnc(CN(C)C(=O)Nc2cccc(N3CCOC3=O)c2)s1 CCc1cnc(s1)[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)N1CCOC1=O
CCc1cnc(CN(C)C(=O)Nc2cccc(N3CCOC3=O)c2)s1 CCc1cnc(C[*:1])s1 CN(C(=O)Nc1cccc(c1)N1CCOC1=O)[*:1]
CCc1cnc(CN(C)C(=O)Nc2cccc(N3CCOC3=O)c2)s1 O=C1OCCN1[*:1] CCc1cnc(CN(C)C(=O)Nc2cccc(c2)[*:1])s1
COc1cc(OC)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)cc1Cl c1cc(c2nsnc2c1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
COc1ccc(CCNC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cc1OC Fc1ccc(cc1Cl)[*:1] COc1ccc(cc1OC)CCNC(=O)N[C@H](C)[*:1]
Cc1cc(NC(=O)[C@H](C)N2CCCC3(C2)OCCO3)no1 Cc1cc(no1)[*:1] C[C@@H](C(=O)N[*:1])N1CCCC2(C1)OCCO2
COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccccn3)c(C)c21 O=C(Nc1ccccn1)[*:1] COc1ccccc1C(=O)N/N=C1\CCCc2oc(c(C)c21)[*:1]
COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccccn3)c(C)c21 COc1ccccc1[*:1] Cc1c(oc2CCC/C(=N\NC(=O)[*:1])c21)C(=O)Nc1ccccn1
COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccccn3)c(C)c21 c1ccc(nc1)[*:1] COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N[*:1])c(C)c21
CCc1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 CCc1ccccc1[*:1] Cc1nn(-c2ccccc2)c2nc(cc(C(=O)N[*:1])c12)C1CC1
CCc1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 C1CC1[*:1] CCc1ccccc1NC(=O)c1cc(nc2c1c(C)nn2-c1ccccc1)[*:1]
CCc1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)c1cc(nc2c1c(C)nn2[*:1])C1CC1
COC[C@H](C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 COC[*:1] C[C@H](NC(=O)Cc1cn(nc1-c1ccc(F)cc1)-c1ccccc1)[*:1]
COC[C@H](C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 c1ccc(cc1)[*:1] COC[C@H](C)NC(=O)Cc1cn(nc1-c1ccc(F)cc1)[*:1]
COC[C@H](C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC[C@H](C)NC(=O)Cc1cn(nc1[*:1])-c1ccccc1
COCc1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 COC[*:1] O=C(NNC(=O)c1ccccc1[*:1])c1cccc(c1)[N+](=O)[O-]
COCc1ccccc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COCc1ccccc1C(=O)NNC(=O)c1cccc(c1)[*:1]
O=C1CCc2cc(NC(=O)c3ccco3)ccc2N1 c1coc(c1)[*:1] O=C1CCc2cc(ccc2N1)NC(=O)[*:1]
COc1cc(C(=O)[O-])cc(OC)c1OCc1csc(C)n1 Cc1nc(cs1)C[*:1] COc1cc(cc(OC)c1O[*:1])C(=O)[O-]
COc1cc(C(=O)[O-])cc(OC)c1OCc1csc(C)n1 Cc1nc(cs1)[*:1] COc1cc(cc(OC)c1OC[*:1])C(=O)[O-]
COc1cc(C(=O)[O-])cc(OC)c1OCc1csc(C)n1 O=C([O-])[*:1] COc1cc(cc(OC)c1OCc1csc(C)n1)[*:1]
CCCCOc1ccc(C(=O)NCc2nn(C)c(=O)c3ccccc23)cc1 CCCC[*:1] Cn1nc(CNC(=O)c2ccc(cc2)O[*:1])c2ccccc2c1=O
CCCCOc1ccc(C(=O)NCc2nn(C)c(=O)c3ccccc23)cc1 CCCCO[*:1] Cn1nc(CNC(=O)c2ccc(cc2)[*:1])c2ccccc2c1=O
CCCCOc1ccc(C(=O)NCc2nn(C)c(=O)c3ccccc23)cc1 CCC[*:1] Cn1nc(CNC(=O)c2ccc(cc2)OC[*:1])c2ccccc2c1=O
Cc1cccc(OCCNC(=O)c2n[nH]c(C3CC3)n2)c1 C1CC1[*:1] Cc1cccc(c1)OCCNC(=O)c1n[nH]c(n1)[*:1]
Cc1cccc(OCCNC(=O)c2n[nH]c(C3CC3)n2)c1 Cc1cccc(c1)[*:1] O=C(NCCO[*:1])c1n[nH]c(n1)C1CC1
O=C([O-])c1cccnc1C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C([O-])c1cccnc1C(=O)Nc1ccc(cc1)[*:1]
O=C([O-])c1cccnc1C(=O)Nc1ccc([N+](=O)[O-])cc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])c1ncccc1[*:1]
C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 O=[N+]([O-])[*:1] C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(c(O)c1)[*:1]
C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 Clc1cccc(c1)[*:1] C[C@H](N(C)C(=O)c1ccc(c(O)c1)[N+](=O)[O-])[*:1]
CN(CC(=O)Nc1ccccc1)C(=O)C[C@@H]1OC(=O)c2ccccc21 c1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)C[C@@H]1OC(=O)c2ccccc21
CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCc2ccccc2CC)c1 CCc1ccccc1[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)C(=O)NC[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCc2ccccc2CC)c1 CCc1ccccc1C[*:1] CCNC(=O)c1ccc(C)c(c1)NC(=O)C(=O)N[*:1]
CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCc2ccccc2CC)c1 CCNC(=O)[*:1] CCc1ccccc1CNC(=O)C(=O)Nc1cc(ccc1C)[*:1]
CN(CC(=O)NC1CCCCCC1)C(=O)c1ccco1 c1coc(c1)[*:1] CN(CC(=O)NC1CCCCCC1)C(=O)[*:1]
O=C1C[C@@H](CNC(=O)Nc2cccc(-c3ncon3)c2)c2ccccc2N1 c1nc(no1)[*:1] O=C1C[C@@H](CNC(=O)Nc2cccc(c2)[*:1])c2ccccc2N1
Cc1ccsc1CN(C)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 Fc1ccccc1C[*:1] Cc1ccsc1CN(C)C(=O)[C@@H]1CCC(=O)N(C1)[*:1]
Cc1ccsc1CN(C)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 Cc1ccsc1C[*:1] CN(C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1)[*:1]
Cc1ccsc1CN(C)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 Fc1ccccc1[*:1] Cc1ccsc1CN(C)C(=O)[C@@H]1CCC(=O)N(C1)C[*:1]
Cc1ccsc1CN(C)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 Cc1ccsc1[*:1] CN(C[*:1])C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1
COC(=O)Cc1c(C)nc(N2CCCC2)nc1C COC(=O)[*:1] Cc1nc(nc(C)c1C[*:1])N1CCCC1
COC(=O)Cc1c(C)nc(N2CCCC2)nc1C C1CCN(C1)[*:1] COC(=O)Cc1c(C)nc(nc1C)[*:1]
COC(=O)Cc1c(C)nc(N2CCCC2)nc1C COC(=O)C[*:1] Cc1nc(nc(C)c1[*:1])N1CCCC1
CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(C)c(C)c1 Cc1ccc(cc1C)[*:1] CCN(Cc1ccccc1)C(=O)CNC(=O)[*:1]
CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(C)c(C)c1 c1ccc(cc1)C[*:1] CCN(C(=O)CNC(=O)c1ccc(C)c(C)c1)[*:1]
CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(C)c(C)c1 c1ccc(cc1)[*:1] CCN(C[*:1])C(=O)CNC(=O)c1ccc(C)c(C)c1
Cc1sc(-c2ccco2)nc1C(=O)NCC[C@H](O)C(F)(F)F O[C@@H](C[*:1])C(F)(F)F Cc1sc(nc1C(=O)NC[*:1])-c1ccco1
Cc1sc(-c2ccco2)nc1C(=O)NCC[C@H](O)C(F)(F)F c1coc(c1)[*:1] Cc1sc(nc1C(=O)NCC[C@H](O)C(F)(F)F)[*:1]
Cc1sc(-c2ccco2)nc1C(=O)NCC[C@H](O)C(F)(F)F FC(F)(F)[*:1] Cc1sc(nc1C(=O)NCC[C@H](O)[*:1])-c1ccco1
COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 O=[N+]([O-])[*:1] COc1ccc(cn1)[N-]S(=O)(=O)c1ccccc1[*:1]
Cc1cc(N)cc(C)c1S(=O)(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)N[C@H](C)[*:1]
Cc1cc(N)cc(C)c1S(=O)(=O)N[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] Cc1cc(N)cc(C)c1S(=O)(=O)N[C@H](C)C[*:1]
O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1nc(cs1)[*:1]
COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(Cc1c[nH]c3ccccc13)CC2 CC(C)O[*:1] COC(=O)c1c(cc(=O)n2CCN(CCc12)Cc1c[nH]c2ccccc12)[*:1]
COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(Cc1c[nH]c3ccccc13)CC2 c1ccc2c(c[nH]c2c1)[*:1] COC(=O)c1c(cc(=O)n2CCN(CCc12)C[*:1])OC(C)C
COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(Cc1c[nH]c3ccccc13)CC2 CC(C)[*:1] COC(=O)c1c(cc(=O)n2CCN(CCc12)Cc1c[nH]c2ccccc12)O[*:1]
COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(Cc1c[nH]c3ccccc13)CC2 c1ccc2c(c[nH]c2c1)C[*:1] COC(=O)c1c(cc(=O)n2CCN(CCc12)[*:1])OC(C)C
COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(Cc1c[nH]c3ccccc13)CC2 COC(=O)[*:1] CC(C)Oc1cc(=O)n2CCN(CCc2c1[*:1])Cc1c[nH]c2ccccc12
Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1 Clc1cc(Br)ccc1[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1ccc(Br)cc1Cl)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cc1Cl)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(N[C@H]1CCc2c(O)cccc21)N1CCCCC[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] O=C(N[C@H]1CCc2c(O)cccc21)N1CCCCC[C@H]1[*:1]
CN1[C@@H](SCc2cc(=O)c3cccc(Cl)c3[nH]2)NN[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1[C@H](NN[C@H]1[*:1])SCc1cc(=O)c2cccc(Cl)c2[nH]1
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cncc(C)c1 CCCO[*:1] Cc1cncc(c1)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cncc(C)c1 Cc1cncc(c1)[*:1] CCCOc1ccc(cc1NC(=O)[*:1])C(F)(F)F
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cncc(C)c1 FC(F)(F)[*:1] CCCOc1ccc(cc1NC(=O)c1cncc(C)c1)[*:1]
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cncc(C)c1 CCC[*:1] Cc1cncc(c1)C(=O)Nc1cc(ccc1O[*:1])C(F)(F)F
Cc1n[nH]c2c1[C@H](c1cccc([N+](=O)[O-])c1)N(c1ccc(Br)cc1)C2=O O=[N+]([O-])[*:1] Cc1n[nH]c2C(=O)N(c3ccc(Br)cc3)[C@@H](c3cccc(c3)[*:1])c12
Cc1n[nH]c2c1[C@H](c1cccc([N+](=O)[O-])c1)N(c1ccc(Br)cc1)C2=O Brc1ccc(cc1)[*:1] Cc1n[nH]c2C(=O)N([C@@H](c3cccc(c3)[N+](=O)[O-])c12)[*:1]
CC1(C)CO[C@H](c2ccccc2)CN1Cc1cnn(C(C)(C)C)c1 c1ccc(cc1)[*:1] CC1(C)CO[C@H](CN1Cc1cnn(c1)C(C)(C)C)[*:1]
CC1(C)CO[C@H](c2ccccc2)CN1Cc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] CC1(C)CO[C@@H](CN1Cc1cnn(c1)[*:1])c1ccccc1
CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)Cc1c[nH]c3ccccc13)c1ccccc1O2 c1ccc2c(c[nH]c2c1)C[*:1] CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)[*:1])c1ccccc1O2
CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)Cc1c[nH]c3ccccc13)c1ccccc1O2 c1ccc2c(c[nH]c2c1)[*:1] CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)C[*:1])c1ccccc1O2
CCCOc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)cc1 O=C(N1CCOCC1)[*:1] CCCOc1ccc(cc1)C(=O)Nc1c(sc2nc(C)cc(C)c12)[*:1]
CCCOc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)cc1 CCCOc1ccc(cc1)[*:1] Cc1cc(C)c2c(NC(=O)[*:1])c(sc2n1)C(=O)N1CCOCC1
CCCOc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)cc1 CCC[*:1] Cc1cc(C)c2c(NC(=O)c3ccc(cc3)O[*:1])c(sc2n1)C(=O)N1CCOCC1
CCCOc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)cc1 CCCO[*:1] Cc1cc(C)c2c(NC(=O)c3ccc(cc3)[*:1])c(sc2n1)C(=O)N1CCOCC1
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(OC)c(OC)c2)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(CC(=O)c2ccc(OC)c(c2)OC)C1=O)[*:1]
O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O C1CC1[*:1] O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(n(-c2ccccc2)c1=O)[*:1]
O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O O=c1oc2ccccc2n1[*:1] O=C(C[*:1])NCCn1nc(C2CC2)n(-c2ccccc2)c1=O
O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(C2CC2)n(c1=O)[*:1]
CC[C@@H](NC(=O)c1sc(-c2nc[nH]n2)nc1C)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@@H](NC(=O)c1sc(nc1C)-c1nc[nH]n1)[*:1]
CC(C)(C)CC(=O)Nc1ccccc1Oc1ccccc1 CC(C)(C)[*:1] O=C(C[*:1])Nc1ccccc1Oc1ccccc1
CC(C)(C)CC(=O)Nc1ccccc1Oc1ccccc1 CC(C)(C)C[*:1] O=C(Nc1ccccc1Oc1ccccc1)[*:1]
CC(C)(C)CC(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] CC(C)(C)CC(=O)Nc1ccccc1[*:1]
CC(C)(C)CC(=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)CC(=O)Nc1ccccc1O[*:1]
CCOc1ccc(N)cc1CSc1ccccc1 CCO[*:1] Nc1ccc(c(c1)CSc1ccccc1)[*:1]
CCOc1ccc(N)cc1CSc1ccccc1 c1ccc(cc1)[*:1] CCOc1ccc(N)cc1CS[*:1]
C[C@H]1CCCN1C(=O)/C=C1/Sc2ccccc2N(Cc2ccccc2Cl)C1=O Clc1ccccc1[*:1] C[C@H]1CCCN1C(=O)/C=C1/Sc2ccccc2N(C[*:1])C1=O
C[C@H]1CCCN1C(=O)/C=C1/Sc2ccccc2N(Cc2ccccc2Cl)C1=O Clc1ccccc1C[*:1] C[C@H]1CCCN1C(=O)/C=C1/Sc2ccccc2N(C1=O)[*:1]
CCn1ncc(Br)c1CN(C)S(=O)(=O)c1ccc(CC(C)C)cc1 CCn1ncc(Br)c1[*:1] CC(C)Cc1ccc(cc1)S(=O)(=O)N(C)C[*:1]
CCn1ncc(Br)c1CN(C)S(=O)(=O)c1ccc(CC(C)C)cc1 CC(C)[*:1] CCn1ncc(Br)c1CN(C)S(=O)(=O)c1ccc(cc1)C[*:1]
CCn1ncc(Br)c1CN(C)S(=O)(=O)c1ccc(CC(C)C)cc1 CC(C)C[*:1] CCn1ncc(Br)c1CN(C)S(=O)(=O)c1ccc(cc1)[*:1]
COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C)c2C)cc1NC(C)=O Cc1cccc(c1C)[*:1] COc1ccc(cc1NC(C)=O)[C@H](C)[NH2+][C@H](C)[*:1]
COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C)c2C)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])[C@H](C)[NH2+][C@H](C)c1cccc(C)c1C
CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 CC[C@@H](C)C[*:1] CCN(S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)[*:1]
CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 O=C([O-])[*:1] CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(n(C)c1)[*:1]
CC[C@@H](C)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 CC[C@@H](C)[*:1] CCN(C[*:1])S(=O)(=O)c1cc(C(=O)[O-])n(C)c1
COC[C@H](C)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 COC[*:1] C[C@H](NC(=O)C1CCN(CC1)c1ccc2nncn2n1)[*:1]
COC[C@H](C)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 COC[C@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc2nncn2n1
CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2cccc(O)c2)CC1 CC(C)CNC(=O)[*:1] C[C@H](N1CCN(CC1)C(=O)c1cccc(O)c1)[*:1]
CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2cccc(O)c2)CC1 CC(C)C[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)C(=O)c1cccc(O)c1
CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2cccc(O)c2)CC1 CC(C)[*:1] C[C@@H](C(=O)NC[*:1])N1CCN(CC1)C(=O)c1cccc(O)c1
CC(C)CNC(=O)[C@H](C)N1CCN(C(=O)c2cccc(O)c2)CC1 Oc1cccc(c1)[*:1] CC(C)CNC(=O)[C@H](C)N1CCN(CC1)C(=O)[*:1]
NC(=O)COc1ccc(/C=N/NC(=O)c2ccccn2)cc1 c1ccc(nc1)[*:1] NC(=O)COc1ccc(/C=N/NC(=O)[*:1])cc1
NC(=O)COc1ccc(/C=N/NC(=O)c2ccccn2)cc1 NC(=O)C[*:1] O=C(N/N=C/c1ccc(cc1)O[*:1])c1ccccn1
NC(=O)COc1ccc(/C=N/NC(=O)c2ccccn2)cc1 NC(=O)CO[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])c1ccccn1
NC(=O)COc1ccc(/C=N/NC(=O)c2ccccn2)cc1 NC(=O)[*:1] O=C(N/N=C/c1ccc(cc1)OC[*:1])c1ccccn1
O=C(NC[C@@](O)(c1cccs1)C(F)(F)F)C(=O)NC1CCCCC1 FC(F)(F)[*:1] O=C(NC[C@@](O)(c1cccs1)[*:1])C(=O)NC1CCCCC1
O=C(NC[C@@](O)(c1cccs1)C(F)(F)F)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NC[C@@](O)(c1cccs1)C(F)(F)F)C(=O)N[*:1]
O=C(NC[C@@](O)(c1cccs1)C(F)(F)F)C(=O)NC1CCCCC1 c1csc(c1)[*:1] O=C(NC[C@@](O)(C(F)(F)F)[*:1])C(=O)NC1CCCCC1
Cc1ccc2c(cnn2CCC(=O)NCc2cccnc2)c1 c1cncc(c1)[*:1] Cc1ccc2c(cnn2CCC(=O)NC[*:1])c1
Cc1ccc2c(cnn2CCC(=O)NCc2cccnc2)c1 c1cncc(c1)C[*:1] Cc1ccc2c(cnn2CCC(=O)N[*:1])c1
CCCc1noc(CNc2cc(Cl)ccc2Cl)n1 CCC[*:1] Clc1ccc(Cl)c(c1)NCc1nc(no1)[*:1]
C[C@H]1CCN(C(=O)c2cc(C#N)cs2)c2cc(Cl)ccc2S1 N#Cc1csc(c1)[*:1] C[C@H]1CCN(C(=O)[*:1])c2cc(Cl)ccc2S1
O=C(Cc1ccc(Br)cc1)N[C@H](c1ccccc1)C1CC1 C1CC1[*:1] O=C(Cc1ccc(Br)cc1)N[C@H](c1ccccc1)[*:1]
O=C(Cc1ccc(Br)cc1)N[C@H](c1ccccc1)C1CC1 Brc1ccc(cc1)[*:1] O=C(C[*:1])N[C@H](c1ccccc1)C1CC1
O=C(Cc1ccc(Br)cc1)N[C@H](c1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(Cc1ccc(Br)cc1)N[C@H](C1CC1)[*:1]
CN(Cc1ccc([N+](=O)[O-])cc1F)C1CCS(=O)(=O)CC1 O=[N+]([O-])[*:1] CN(Cc1ccc(cc1F)[*:1])C1CCS(=O)(=O)CC1
O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F O=C(NC1CCCCC1)[*:1] FC(F)(F)[C@@H]1C[C@H](Nc2c(Cl)c(nn21)[*:1])c1cccs1
O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F C1CCC(CC1)[*:1] O=C(N[*:1])c1nn2c(N[C@@H](C[C@H]2C(F)(F)F)c2cccs2)c1Cl
O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F c1csc(c1)[*:1] O=C(NC1CCCCC1)c1nn2c(N[C@H](C[C@H]2C(F)(F)F)[*:1])c1Cl
O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F FC(F)(F)[*:1] O=C(NC1CCCCC1)c1nn2c(N[C@@H](C[C@@H]2[*:1])c2cccs2)c1Cl
O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(NCc1ccc(cc1)-c1ccc2OCCc2c1)N[*:1]
COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1COCCO1)CC2 C1CO[C@H](CO1)[*:1] COc1ccc2CC[C@@H]([NH2+]C[*:1])c2c1
CCOCc1ccc(C(=O)N2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)cc1 CCO[*:1] O=C(c1ccc(cc1)C[*:1])N1CCc2nc(ncc2C1)[C@H]1CC[NH2+]C1
CCOCc1ccc(C(=O)N2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)cc1 CCOC[*:1] O=C(c1ccc(cc1)[*:1])N1CCc2nc(ncc2C1)[C@H]1CC[NH2+]C1
CCN(CC)C(=O)C1CC[NH+](Cc2nc(-c3ccc(F)cc3F)oc2C)CC1 CCN(CC)C(=O)[*:1] Cc1oc(nc1C[NH+]1CCC(CC1)[*:1])-c1ccc(F)cc1F
CCN(CC)C(=O)C1CC[NH+](Cc2nc(-c3ccc(F)cc3F)oc2C)CC1 Fc1ccc(c(F)c1)[*:1] CCN(CC)C(=O)C1CC[NH+](CC1)Cc1nc(oc1C)[*:1]
CO[C@H]1CCC[C@@]([NH2+]C(C)C)(C(N)=O)C1 CC(C)[*:1] CO[C@H]1CCC[C@@](C1)([NH2+][*:1])C(N)=O
CO[C@H]1CCC[C@@]([NH2+]C(C)C)(C(N)=O)C1 NC(=O)[*:1] CO[C@H]1CCC[C@](C1)([NH2+]C(C)C)[*:1]
C[NH2+]C[C@@H](OC(C)C)c1ccc(Cl)cc1Cl CC(C)[*:1] C[NH2+]C[C@@H](O[*:1])c1ccc(Cl)cc1Cl
C[NH2+]C[C@@H](OC(C)C)c1ccc(Cl)cc1Cl CC(C)O[*:1] C[NH2+]C[C@@H](c1ccc(Cl)cc1Cl)[*:1]
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(-c2ccccc2)c(n1)-c1ccccc1)C(=O)NNC(=O)[*:1]
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NNC(=O)[C@@H](C)Sc1nnc(c(n1)-c1ccccc1)[*:1]
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c(n1)[*:1]
Cc1nc(C)c(CNC(=O)NC[C@@H](O)CC(C)C)s1 CC(C)C[C@H](O)[*:1] Cc1nc(C)c(CNC(=O)NC[*:1])s1
Cc1nc(C)c(CNC(=O)NC[C@@H](O)CC(C)C)s1 CC(C)[*:1] Cc1nc(C)c(CNC(=O)NC[C@@H](O)C[*:1])s1
Cc1nc(C)c(CNC(=O)NC[C@@H](O)CC(C)C)s1 CC(C)C[*:1] Cc1nc(C)c(CNC(=O)NC[C@@H](O)[*:1])s1
C[C@@]1(NC(=O)COC(=O)c2cc(Br)c[nH]2)CCS(=O)(=O)C1 Brc1c[nH]c(c1)[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)COC(=O)[*:1]
Cc1cscc1CNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cscc1CNC(=O)c1cc(Cl)c(Cl)c(c1)[*:1]
Cc1cscc1CNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 Cc1cscc1C[*:1] O=C(N[*:1])c1cc(Cl)c(Cl)c(c1)[N+](=O)[O-]
Cc1cscc1CNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 Cc1cscc1[*:1] O=C(NC[*:1])c1cc(Cl)c(Cl)c(c1)[N+](=O)[O-]
COC(=O)C1=C(C)C(C(=O)N2CCN(Cc3cccs3)CC2)=N[C@H]1C COC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)N1CCN(CC1)Cc1cccs1
COC(=O)C1=C(C)C(C(=O)N2CCN(Cc3cccs3)CC2)=N[C@H]1C c1csc(c1)C[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)N1CCN(CC1)[*:1]
COC(=O)C1=C(C)C(C(=O)N2CCN(Cc3cccs3)CC2)=N[C@H]1C c1csc(c1)[*:1] COC(=O)C1=C(C)C(=N[C@H]1C)C(=O)N1CCN(CC1)C[*:1]
O=C(CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(Nc1ccc(F)cc1)N1CC(=O)N(c2ccccc21)[*:1]
O=C(CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21)N1CCCC1 Fc1ccc(cc1)[*:1] O=C(CN1C(=O)CN(C(=O)N[*:1])c2ccccc21)N1CCCC1
O=C(CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21)N1CCCC1 O=C(N1CCCC1)[*:1] O=C1CN(C(=O)Nc2ccc(F)cc2)c2ccccc2N1C[*:1]
CC(C)NC(=O)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 O=[N+]([O-])[*:1] CC(C)NC(=O)CCNc1ccc(c(c1)C(F)(F)F)[*:1]
CC(C)NC(=O)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)NC(=O)CCNc1ccc(c(c1)[*:1])[N+](=O)[O-]
CC(C)NC(=O)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 CC(C)NC(=O)[*:1] O=[N+]([O-])c1ccc(cc1C(F)(F)F)NCC[*:1]
CC(C)NC(=O)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 CC(C)NC(=O)C[*:1] O=[N+]([O-])c1ccc(cc1C(F)(F)F)NC[*:1]
CC(C)NC(=O)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 CC(C)[*:1] O=C(CCNc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])N[*:1]
COc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1S(=O)(=O)NC1CC1 O=S(=O)(NC1CC1)[*:1] COc1ccc(cc1[*:1])C(=O)[C@@H](C#N)c1nc(C)cs1
COc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1S(=O)(=O)NC1CC1 C1CC1[*:1] COc1ccc(cc1S(=O)(=O)N[*:1])C(=O)[C@@H](C#N)c1nc(C)cs1
COc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1S(=O)(=O)NC1CC1 Cc1csc(n1)[*:1] COc1ccc(cc1S(=O)(=O)NC1CC1)C(=O)[C@@H](C#N)[*:1]
Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc23)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@H](C[*:1])NS(=O)(=O)c2cccc3nsnc23)c(C)c1
Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc23)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)[C@H](NS(=O)(=O)c2cccc3nsnc23)[*:1])c(C)c1
Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc23)c(C)c1 c1cc(c2nsnc2c1)[*:1] Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)[*:1])c(C)c1
Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(N[*:1])[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)Cc2ccc(CO)cc2)C1 OCc1ccc(cc1)C[*:1] O=C(CCc1ccccc1)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)Cc2ccc(CO)cc2)C1 c1ccc(cc1)C[*:1] O=C(C[*:1])[C@@H]1CCCN(C1)C(=O)Cc1ccc(cc1)CO
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)Cc2ccc(CO)cc2)C1 OCc1ccc(cc1)[*:1] O=C(CCc1ccccc1)[C@@H]1CCCN(C1)C(=O)C[*:1]
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)Cc2ccc(CO)cc2)C1 c1ccc(cc1)[*:1] O=C(CC[*:1])[C@@H]1CCCN(C1)C(=O)Cc1ccc(cc1)CO
O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)Cc2ccc(CO)cc2)C1 c1ccc(cc1)CC[*:1] O=C(Cc1ccc(cc1)CO)N1CCC[C@H](C1)C(=O)[*:1]
C[C@H]1CC(=O)c2cc(C(=O)NCCc3cccs3)c(=O)[nH]c2C1 c1csc(c1)CC[*:1] C[C@H]1CC(=O)c2cc(C(=O)N[*:1])c(=O)[nH]c2C1
C[C@H]1CC(=O)c2cc(C(=O)NCCc3cccs3)c(=O)[nH]c2C1 c1csc(c1)C[*:1] C[C@H]1CC(=O)c2cc(C(=O)NC[*:1])c(=O)[nH]c2C1
C[C@H]1CC(=O)c2cc(C(=O)NCCc3cccs3)c(=O)[nH]c2C1 c1csc(c1)[*:1] C[C@H]1CC(=O)c2cc(C(=O)NCC[*:1])c(=O)[nH]c2C1
CC(C)[S@](=O)Cc1ccc(C(=O)[O-])cn1 CC(C)[S@](=O)[*:1] O=C([O-])c1ccc(C[*:1])nc1
CC(C)[S@](=O)Cc1ccc(C(=O)[O-])cn1 O=C([O-])[*:1] CC(C)[S@](=O)Cc1ccc(cn1)[*:1]
CC(C)[S@](=O)Cc1ccc(C(=O)[O-])cn1 CC(C)[*:1] O=C([O-])c1ccc(C[S@@](=O)[*:1])nc1
C[C@@]1(c2ccccc2)CN(Cc2ccccc2N2CCOCC2)CCO1 C1CN(CCO1)[*:1] C[C@]1(CN(CCO1)Cc1ccccc1[*:1])c1ccccc1
C[C@@]1(c2ccccc2)CN(Cc2ccccc2N2CCOCC2)CCO1 c1ccc(cc1)[*:1] C[C@]1(CN(CCO1)Cc1ccccc1N1CCOCC1)[*:1]
COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1OC(F)F FC(F)[*:1] COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1O[*:1]
COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1OC(F)F FC(F)O[*:1] COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1[*:1]
COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1OC(F)F COC(=O)[*:1] CC1=C([C@H](NC(=O)N1C)c1ccccc1OC(F)F)[*:1]
Cc1csc(=O)n1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1csc(=O)n1CC(=O)N1CCc2sccc2[C@H]1[*:1]
Cc1csc(=O)n1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 Cc1csc(=O)n1[*:1] O=C(C[*:1])N1CCc2sccc2[C@@H]1c1ccccc1
Cc1csc(=O)n1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 Cc1csc(=O)n1C[*:1] O=C(N1CCc2sccc2[C@@H]1c1ccccc1)[*:1]
CC[NH2+][C@H](C[C@H](C)CC)[C@@H]1CSCCS1 CC[C@@H](C)C[*:1] CC[NH2+][C@H]([C@@H]1CSCCS1)[*:1]
CC[NH2+][C@H](C[C@H](C)CC)[C@@H]1CSCCS1 CC[C@@H](C)[*:1] CC[NH2+][C@H](C[*:1])[C@@H]1CSCCS1
C[C@@H]1C[C@@H]1[NH2+]Cc1cncn1C1CC1 C1CC1[*:1] C[C@@H]1C[C@@H]1[NH2+]Cc1cncn1[*:1]
CCc1nnc(NC(=O)c2nn(C)c3c2CS(=O)(=O)CC3)s1 CCc1nnc(s1)[*:1] Cn1nc(C(=O)N[*:1])c2CS(=O)(=O)CCc21
Cc1ccc(C)n1N[C@@H](C)c1ccccc1OC(F)F FC(F)O[*:1] Cc1ccc(C)n1N[C@@H](C)c1ccccc1[*:1]
Cc1ccc(C)n1N[C@@H](C)c1ccccc1OC(F)F FC(F)[*:1] Cc1ccc(C)n1N[C@@H](C)c1ccccc1O[*:1]
CN(C(=O)NCCSCC(C)(C)O)C1CCCCCCC1 CC(C)(O)CS[*:1] CN(C(=O)NCC[*:1])C1CCCCCCC1
CN(C(=O)NCCSCC(C)(C)O)C1CCCCCCC1 CC(C)(O)C[*:1] CN(C(=O)NCCS[*:1])C1CCCCCCC1
CN(C(=O)NCCSCC(C)(C)O)C1CCCCCCC1 CC(C)(O)[*:1] CN(C(=O)NCCSC[*:1])C1CCCCCCC1
CN(C(=O)NCCSCC(C)(C)O)C1CCCCCCC1 CC(C)(O)CSC[*:1] CN(C(=O)NC[*:1])C1CCCCCCC1
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] CN(C)C(=O)[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)[*:1]
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C=C[*:1]
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CN(C)C(=O)[C@@H](C[*:1])NC(=O)/C=C/c1ccc(Cl)cc1
CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1 CN(C)C(=O)[*:1] O=C(/C=C/c1ccc(Cl)cc1)N[C@H](Cc1ccccc1)[*:1]
CNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C(C)C CNC(=O)[*:1] COc1ccc(cc1)C(=O)N[C@H](C(C)C)[*:1]
CNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C(C)C CC(C)[*:1] CNC(=O)[C@H](NC(=O)c1ccc(cc1)OC)[*:1]
CCC(C)(C)NC(=O)c1ccc(Cn2cccn2)o1 c1cnn(c1)C[*:1] CCC(C)(C)NC(=O)c1ccc(o1)[*:1]
CCC(C)(C)NC(=O)c1ccc(Cn2cccn2)o1 c1cnn(c1)[*:1] CCC(C)(C)NC(=O)c1ccc(C[*:1])o1
CCC(C)(C)NC(=O)c1ccc(Cn2cccn2)o1 CCC(C)(C)[*:1] O=C(N[*:1])c1ccc(Cn2cccn2)o1
CCCCOc1c(CC)c(C)nc2cc(C3CCOCC3)nn12 CCCCO[*:1] CCc1c(C)nc2cc(nn2c1[*:1])C1CCOCC1
CCCCOc1c(CC)c(C)nc2cc(C3CCOCC3)nn12 CCC[*:1] CCc1c(C)nc2cc(nn2c1OC[*:1])C1CCOCC1
CCCCOc1c(CC)c(C)nc2cc(C3CCOCC3)nn12 C1CC(CCO1)[*:1] CCCCOc1c(CC)c(C)nc2cc(nn12)[*:1]
CCCCOc1c(CC)c(C)nc2cc(C3CCOCC3)nn12 CCCC[*:1] CCc1c(C)nc2cc(nn2c1O[*:1])C1CCOCC1
Cc1ccc(-n2c(SCC(=O)Nc3cccc(Br)c3)nnc2-c2ccncc2)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)Nc1cccc(Br)c1
Cc1ccc(-n2c(SCC(=O)Nc3cccc(Br)c3)nnc2-c2ccncc2)cc1 O=C(Nc1cccc(Br)c1)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccncc1)SC[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3cccc(Br)c3)nnc2-c2ccncc2)cc1 Brc1cccc(c1)[*:1] Cc1ccc(cc1)-n1c(nnc1-c1ccncc1)SCC(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3cccc(Br)c3)nnc2-c2ccncc2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccncc2)n1[*:1])Nc1cccc(Br)c1
C[C@H]1CSCCN1C(=O)c1cc(C(F)(F)F)ccc1N FC(F)(F)[*:1] C[C@H]1CSCCN1C(=O)c1cc(ccc1N)[*:1]
O=C1/C(=C\c2ccccc2)N(CCO)S(=O)(=O)c2ccccc21 c1ccc(cc1)[*:1] O=C1C(=C[*:1])N(CCO)S(=O)(=O)c2ccccc21
O=C1/C(=C\c2ccccc2)N(CCO)S(=O)(=O)c2ccccc21 OCC[*:1] O=C1/C(=C\c2ccccc2)N(S(=O)(=O)c2ccccc21)[*:1]
CCc1cccc(C(=O)NCCOCC(C)C)c1O CC(C)C[*:1] CCc1cccc(C(=O)NCCO[*:1])c1O
CCc1cccc(C(=O)NCCOCC(C)C)c1O CC(C)COC[*:1] CCc1cccc(C(=O)NC[*:1])c1O
CCc1cccc(C(=O)NCCOCC(C)C)c1O CC(C)[*:1] CCc1cccc(C(=O)NCCOC[*:1])c1O
CCc1cccc(C(=O)NCCOCC(C)C)c1O CC(C)CO[*:1] CCc1cccc(C(=O)NCC[*:1])c1O
O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(Nc2ncccn2)c1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(c1)N[*:1]
O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(Nc2ncccn2)c1 c1cnc(nc1)N[*:1] O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(c1)[*:1]
CC[C@@H](CCO)CN1C(=O)C(C)=C(C)C1=O OCC[*:1] CC[C@@H](CN1C(=O)C(C)=C(C)C1=O)[*:1]
C[C@H](Nc1ccc(F)cc1I)C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](Nc1ccc(F)cc1I)C(=O)N[*:1]
O=CNc1ccc2c(c1)Cc1cc(Br)ccc1-2 O=CN[*:1] Brc1ccc2c(c1)Cc1cc(ccc1-2)[*:1]
O=C(Nc1ccccc1OC1CCCC1)N1CCSCC1 C1CCC(C1)O[*:1] O=C(Nc1ccccc1[*:1])N1CCSCC1
O=C(Nc1ccccc1OC1CCCC1)N1CCSCC1 C1CCC(C1)[*:1] O=C(Nc1ccccc1O[*:1])N1CCSCC1
Cc1cccc(-c2noc(CN(C(=O)c3ccc(C)c(C)c3)C(C)C)n2)c1 CC(C)[*:1] Cc1cccc(c1)-c1noc(CN(C(=O)c2ccc(C)c(C)c2)[*:1])n1
Cc1cccc(-c2noc(CN(C(=O)c3ccc(C)c(C)c3)C(C)C)n2)c1 Cc1ccc(cc1C)[*:1] Cc1cccc(c1)-c1noc(CN(C(=O)[*:1])C(C)C)n1
Cc1cccc(-c2noc(CN(C(=O)c3ccc(C)c(C)c3)C(C)C)n2)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1C)C(=O)N(Cc1nc(no1)[*:1])C(C)C
CN(C(=O)Cc1c[nH]c2ccccc12)C1CCN(c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] CN(C(=O)Cc1c[nH]c2ccccc12)C1CCN(CC1)[*:1]
CN(C(=O)Cc1c[nH]c2ccccc12)C1CCN(c2cccc(F)c2)CC1 c1ccc2c(c[nH]c2c1)[*:1] CN(C(=O)C[*:1])C1CCN(CC1)c1cccc(F)c1
Cc1cnc2nc(C(C)(C)[NH3+])[nH]c2c1 CC(C)([NH3+])[*:1] Cc1cnc2nc([nH]c2c1)[*:1]
Cc1cccc(O[C@H](C)CNC(=O)NC[C@](C)(O)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)O[C@H](C)CNC(=O)NC[C@](C)(O)[*:1]
Cc1cccc(O[C@H](C)CNC(=O)NC[C@](C)(O)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@@](C)(O)CNC(=O)NC[C@@H](C)O[*:1]
CNC(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 CNC(=O)[*:1] O=C1C[C@@H](S/C(=N\c2ccc(Cl)cc2)N1CCc1ccc(Cl)cc1)[*:1]
CNC(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 Clc1ccc(cc1)C[*:1] CNC(=O)[C@H]1CC(=O)N(C[*:1])/C(=N/c2ccc(Cl)cc2)S1
CNC(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 Clc1ccc(cc1)CC[*:1] CNC(=O)[C@H]1CC(=O)N(/C(=N/c2ccc(Cl)cc2)S1)[*:1]
CNC(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 Clc1ccc(cc1)[*:1] CNC(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)C(=N[*:1])S1
CNC(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 Clc1ccc(cc1)[*:1] CNC(=O)[C@H]1CC(=O)N(CC[*:1])/C(=N/c2ccc(Cl)cc2)S1
CCCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)[N-]S(=O)(=O)[*:1])N1CC[C@@H](C1)C[NH+]1CCCC1
CNC(=O)c1ccc(/C=C/C(=O)OCCn2c(=O)oc3ccccc32)cc1 CNC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])OCCn1c(=O)oc2ccccc21
CCn1cc(C(=O)Nc2ccsc2[C@H](C)CC(C)C)c(C(F)(F)F)n1 CC(C)[*:1] CCn1cc(C(=O)Nc2ccsc2[C@H](C)C[*:1])c(n1)C(F)(F)F
CCn1cc(C(=O)Nc2ccsc2[C@H](C)CC(C)C)c(C(F)(F)F)n1 CC(C)C[*:1] CCn1cc(C(=O)Nc2ccsc2[C@H](C)[*:1])c(n1)C(F)(F)F
CCn1cc(C(=O)Nc2ccsc2[C@H](C)CC(C)C)c(C(F)(F)F)n1 FC(F)(F)[*:1] CCn1cc(C(=O)Nc2ccsc2[C@H](C)CC(C)C)c(n1)[*:1]
Cc1cc(C)c2nc(NC(=O)[C@@H]3CCCO3)sc2c1 C1CO[C@@H](C1)[*:1] Cc1cc(C)c2nc(NC(=O)[*:1])sc2c1
Cc1cccc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)c1 Cc1cccc(c1)[*:1] CC(C)c1cc(nn1[C@@H]1CCS(=O)(=O)C1)C(=O)N[*:1]
Cc1cccc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)c1 CC(C)[*:1] Cc1cccc(c1)NC(=O)c1cc(n(n1)[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)Oc1ccc([C@@H](O)CNCc2ccc(Cl)nc2)cc1 CC(C)[*:1] O[C@@H](CNCc1ccc(Cl)nc1)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@@H](O)CNCc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)[*:1] CC(C)Oc1ccc(cc1)[C@@H](O)CNC[*:1]
CC(C)Oc1ccc([C@@H](O)CNCc2ccc(Cl)nc2)cc1 CC(C)O[*:1] O[C@@H](CNCc1ccc(Cl)nc1)c1ccc(cc1)[*:1]
CN(C)C(=O)c1ccc(N(C)c2ccc(C#N)cc2)nc1 CN(C)C(=O)[*:1] CN(c1ccc(C#N)cc1)c1ccc(cn1)[*:1]
CN(C[C@H](O)C1CC1)C(=O)CC(C)(C)c1ccccc1 C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)CC(C)(C)c1ccccc1
CN(C[C@H](O)C1CC1)C(=O)CC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] CN(C[C@H](O)C1CC1)C(=O)CC(C)(C)[*:1]
Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] Cc1ccc(cc1C(=O)N[*:1])S(=O)(=O)Nc1ccc(F)cc1
Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1cccc(F)c1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)Nc1cccc(F)c1)S(=O)(=O)N[*:1]
CCc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 CCc1ccccc1[*:1] O=C(CN(S(=O)(=O)c1ccccc1)[*:1])NC1CCCC1
CCc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 O=C(NC1CCCC1)[*:1] CCc1ccccc1N(C[*:1])S(=O)(=O)c1ccccc1
CCc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 C1CCC(C1)[*:1] CCc1ccccc1N(CC(=O)N[*:1])S(=O)(=O)c1ccccc1
CCc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)[*:1]
CCc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 O=C(C[*:1])NC1CCCC1 CCc1ccccc1N(S(=O)(=O)c1ccccc1)[*:1]
Cc1cccc(-c2ccc(Cl)c(C(=O)[O-])c2)c1 O=C([O-])[*:1] Cc1cccc(c1)-c1ccc(Cl)c(c1)[*:1]
CN1CCN(c2ccc(S(N)(=O)=O)c(N)c2)C(C)(C)C1=O NS(=O)(=O)[*:1] CN1CCN(c2ccc(c(N)c2)[*:1])C(C)(C)C1=O
COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCCCC1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)N[C@@H](C)C[NH+]1CCCCC1)[*:1]
COC(=O)c1ccc(Cn2nc(C)ccc2=O)c(F)c1 COC(=O)[*:1] Cc1ccc(=O)n(Cc2ccc(cc2F)[*:1])n1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCc2ccccc21)c1cccs1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)N1CCCc2ccccc21)c1cccs1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCc2ccccc21)c1cccs1 c1csc(c1)[*:1] O=C([C@H](Cc1ccccc1)NC(=O)[*:1])N1CCCc2ccccc21
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCc2ccccc21)c1cccs1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)N1CCCc2ccccc21)[*:1])c1cccs1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCc2ccccc21)c1cccs1 O=C(N[*:1])c1cccs1 O=C([C@H](Cc1ccccc1)[*:1])N1CCCc2ccccc21
Cc1ccc(/C=C/C(=O)NC(=S)Nc2nccs2)o1 c1csc(n1)[*:1] Cc1ccc(/C=C/C(=O)NC(=S)N[*:1])o1
Cc1ccc(/C=C/C(=O)NC(=S)Nc2nccs2)o1 Cc1ccc(o1)[*:1] O=C(C=C[*:1])NC(=S)Nc1nccs1
C=CCS(=O)(=O)N[C@@]1(CO)CCC[C@@H](C)C1 C=CC[*:1] C[C@@H]1CCC[C@@](CO)(C1)NS(=O)(=O)[*:1]
COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)[*:1]
COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 COC(=O)c1ccccc1[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1
COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C1)c1ccccc1
O=C(N1CCCc2ccccc21)C1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(N1CCCc2ccccc21)C1(CC1)[*:1]
Cc1occc1C(=O)N1CCC(C(=O)[O-])(n2cccn2)CC1 Cc1occc1[*:1] O=C([O-])C1(CCN(CC1)C(=O)[*:1])n1cccn1
Cc1occc1C(=O)N1CCC(C(=O)[O-])(n2cccn2)CC1 c1cnn(c1)[*:1] Cc1occc1C(=O)N1CCC(CC1)(C(=O)[O-])[*:1]
Cc1occc1C(=O)N1CCC(C(=O)[O-])(n2cccn2)CC1 O=C([O-])[*:1] Cc1occc1C(=O)N1CCC(CC1)(n1cccn1)[*:1]
CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)Cc3cnc4ncnn4c3)C2)c1 CC(C)Oc1cccc(c1)[*:1] O=C(Cc1cnc2ncnn2c1)N1CCC[C@@H](C1)C(=O)[*:1]
CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)Cc3cnc4ncnn4c3)C2)c1 CC(C)[*:1] O=C(c1cccc(c1)O[*:1])[C@H]1CCCN(C1)C(=O)Cc1cnc2ncnn2c1
CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)Cc3cnc4ncnn4c3)C2)c1 CC(C)O[*:1] O=C(c1cccc(c1)[*:1])[C@H]1CCCN(C1)C(=O)Cc1cnc2ncnn2c1
CC(C)c1nc(C(=O)N2CCCC[C@H]2C(N)=O)n[nH]1 NC(=O)[*:1] CC(C)c1nc(n[nH]1)C(=O)N1CCCC[C@@H]1[*:1]
CC(C)c1nc(C(=O)N2CCCC[C@H]2C(N)=O)n[nH]1 CC(C)[*:1] NC(=O)[C@@H]1CCCCN1C(=O)c1n[nH]c(n1)[*:1]
CC(C)(C)c1ccc(CN2CC[NH+](CC(=O)Nc3cccc4nsnc34)CC2)cc1 CC(C)(C)c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)C[*:1])Nc1cccc2nsnc12
CC(C)(C)c1ccc(CN2CC[NH+](CC(=O)Nc3cccc4nsnc34)CC2)cc1 CC(C)(C)[*:1] O=C(C[NH+]1CCN(CC1)Cc1ccc(cc1)[*:1])Nc1cccc2nsnc12
CC(C)(C)c1ccc(CN2CC[NH+](CC(=O)Nc3cccc4nsnc34)CC2)cc1 c1cc(c2nsnc2c1)[*:1] CC(C)(C)c1ccc(cc1)CN1CC[NH+](CC1)CC(=O)N[*:1]
CS(=O)(=O)c1ccc2c(c1)CCCN2Cc1cc(Cl)cc2cccnc12 CS(=O)(=O)[*:1] Clc1cc(CN2CCCc3cc(ccc32)[*:1])c2ncccc2c1
C#CCOC(=O)Nc1ccc(OC)cc1 C#CC[*:1] COc1ccc(cc1)NC(=O)O[*:1]
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccccc1F CC[S@@](=O)[*:1] O=C(N[C@H]1CCCC[C@H]1[*:1])[C@@H]1C[C@@H]1c1ccccc1F
CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccccc1F Fc1ccccc1[*:1] CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1[*:1]
COc1ccc(-n2cc(Cl)nc(NCCc3c[nH]c4ccccc34)c2=O)cc1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccc(cc1)-n1cc(Cl)nc(NCC[*:1])c1=O
COc1ccc(-n2cc(Cl)nc(NCCc3c[nH]c4ccccc34)c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c(nc(Cl)cn1[*:1])NCCc1c[nH]c2ccccc12
COc1ccc(N2C[C@H](C(=O)N3CCCSC[C@@H]3CN3CCOCC3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCCSC[C@@H]1CN1CCOCC1
COc1ccc(N2C[C@H](C(=O)N3CCCSC[C@@H]3CN3CCOCC3)CC2=O)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCCSC[C@H]1[*:1]
COc1ccc(N2C[C@H](C(=O)N3CCCSC[C@@H]3CN3CCOCC3)CC2=O)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N1CCCSC[C@@H]1C[*:1]
O=C(NC(c1cccs1)c1cccs1)c1cc(F)ccc1F c1csc(c1)[*:1] O=C(NC(c1cccs1)[*:1])c1cc(F)ccc1F
Cc1ccc(CN2CCSc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc2SCCN(C[*:1])c2c1)N1CCN(CC1)c1ncccn1
Cc1ccc(CN2CCSc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 Cc1ccc(cc1)C[*:1] O=C(c1ccc2SCCN(c2c1)[*:1])N1CCN(CC1)c1ncccn1
Cc1ccc(CN2CCSc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 c1cnc(nc1)[*:1] Cc1ccc(cc1)CN1CCSc2ccc(cc21)C(=O)N1CCN(CC1)[*:1]
CCCCCCNC(=O)[C@H]1CCO[C@H]1C CCCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCC[*:1]
CCCCCCNC(=O)[C@H]1CCO[C@H]1C CCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)NCCC[*:1]
CCCCCCNC(=O)[C@H]1CCO[C@H]1C CCCCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)NC[*:1]
C[C@@H](CCCO)NC(=O)[C@H]1CC[NH2+][C@H]1C OCC[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1CC[NH2+][C@H]1C
C[C@@H](CCCO)NC(=O)[C@H]1CC[NH2+][C@H]1C OCCC[*:1] C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)[*:1]
CN(CC(C)(C)O)C(=O)c1cc([N+](=O)[O-])c[n-]1 CC(C)(O)[*:1] CN(C[*:1])C(=O)c1cc(c[n-]1)[N+](=O)[O-]
CN(CC(C)(C)O)C(=O)c1cc([N+](=O)[O-])c[n-]1 CC(C)(O)C[*:1] CN(C(=O)c1cc(c[n-]1)[N+](=O)[O-])[*:1]
CN(CC(C)(C)O)C(=O)c1cc([N+](=O)[O-])c[n-]1 O=[N+]([O-])[*:1] CN(CC(C)(C)O)C(=O)c1cc(c[n-]1)[*:1]
N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])CC1CCCCC1 C1CCC(CC1)C[*:1] N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])[*:1]
N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])CC1CCCCC1 C1CCC(CC1)[*:1] N#Cc1ccccc1CS(=O)(=O)/N=C(\[O-])C[*:1]
Cc1c[nH]c(C(=O)N2CCN(CC(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 CN(C)C(=O)[*:1] Cc1c[nH]c(n1)C(=O)N1CCN(C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
Cc1c[nH]c(C(=O)N2CCN(CC(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 Cc1c[nH]c(n1)[*:1] CN(C)C(=O)CN1CCN(C(=O)[*:1])[C@H]2CS(=O)(=O)C[C@H]21
Cc1c[nH]c(C(=O)N2CCN(CC(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 CN(C)C(=O)C[*:1] Cc1c[nH]c(n1)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
Cc1ccc([N+](=O)[O-])c(N[C@H]2COC[C@@]2(C)C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(c(c1)N[C@H]1COC[C@]1(C)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N[C@H]2COC[C@@]2(C)C(=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N[C@H]1COC[C@@]1(C)C(=O)[O-])[*:1]
COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)NC(C)(C)C)CC1)O2 CC(C)(C)[*:1] COc1ccc2O[C@@]3(CCC(=O)N(CC3)CC(=O)N[*:1])CNC(=O)c2c1
COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)NC(C)(C)C)CC1)O2 CC(C)(C)NC(=O)C[*:1] COc1ccc2O[C@@]3(CCC(=O)N(CC3)[*:1])CNC(=O)c2c1
COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)NC(C)(C)C)CC1)O2 CC(C)(C)NC(=O)[*:1] COc1ccc2O[C@@]3(CCC(=O)N(CC3)C[*:1])CNC(=O)c2c1
C[C@H](C(=O)Nc1ncc([N+](=O)[O-])s1)N1C(=O)c2ccccc2S1(=O)=O O=[N+]([O-])[*:1] C[C@H](C(=O)Nc1ncc(s1)[*:1])N1C(=O)c2ccccc2S1(=O)=O
C[C@H](C(=O)Nc1ncc([N+](=O)[O-])s1)N1C(=O)c2ccccc2S1(=O)=O O=[N+]([O-])c1cnc(s1)[*:1] C[C@H](C(=O)N[*:1])N1C(=O)c2ccccc2S1(=O)=O
C[C@H](O)C[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1 C[C@H](O)C[*:1] O=S(=O)(Cc1ccccc1)N1CCCC[C@@H]1[*:1]
C[C@H](O)C[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](O)C[C@H]1CCCCN1S(=O)(=O)C[*:1]
C[C@H](O)C[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1 C[C@H](O)[*:1] O=S(=O)(Cc1ccccc1)N1CCCC[C@@H]1C[*:1]
C=CC/[NH+]=C(\N)SCC(=O)N1CCC[C@@H]1c1cccs1 c1csc(c1)[*:1] C=CC/[NH+]=C(\N)SCC(=O)N1CCC[C@H]1[*:1]
CCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(C(=O)N[C@@H](C)C(C)C)cc1 CC(C)[*:1] CCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(cc1)C(=O)N[C@@H](C)[*:1]
CCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(C(=O)N[C@@H](C)C(C)C)cc1 CCC[*:1] CC(C)[C@H](C)NC(=O)c1ccc(cc1)N[C@@H]1c2ccccc2C(=O)N1[*:1]
CCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(C(=O)N[C@@H](C)C(C)C)cc1 CC(C)[C@H](C)[*:1] CCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(cc1)C(=O)N[*:1]
CCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(C(=O)N[C@@H](C)C(C)C)cc1 CC(C)[C@H](C)NC(=O)[*:1] CCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(cc1)[*:1]
O=C([O-])CC1(NC(=O)CCNC(=O)C2CCCC2)CCC1 O=C([O-])C[*:1] O=C(CCNC(=O)C1CCCC1)NC1(CCC1)[*:1]
O=C([O-])CC1(NC(=O)CCNC(=O)C2CCCC2)CCC1 C1CCC(C1)[*:1] O=C([O-])CC1(CCC1)NC(=O)CCNC(=O)[*:1]
O=C([O-])CC1(NC(=O)CCNC(=O)C2CCCC2)CCC1 O=C([O-])[*:1] O=C(CCNC(=O)C1CCCC1)NC1(CCC1)C[*:1]
COc1cc(F)cc(CNC(=O)N2CCC[C@@H](N3CCCC3=O)C2)c1 O=C1CCCN1[*:1] COc1cc(F)cc(c1)CNC(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H]1c2cccn2CCN1C(=S)N[*:1]
Cc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2ccccc2)cc1 Cc1ccc(cc1)[*:1] S=C(Nc1ccccc1)N1CCn2cccc2[C@H]1[*:1]
C[C@H]1C[C@@H](OC(=O)C(C)(C(F)(F)F)C(F)(F)F)CC[C@H]1C FC(F)(F)[*:1] C[C@H]1C[C@H](CC[C@H]1C)OC(=O)C(C)(C(F)(F)F)[*:1]
O=C(/C=C/c1cccc(F)c1)OCCCc1cccnc1 c1cncc(c1)C[*:1] O=C(/C=C/c1cccc(F)c1)OCC[*:1]
O=C(/C=C/c1cccc(F)c1)OCCCc1cccnc1 Fc1cccc(c1)[*:1] O=C(C=C[*:1])OCCCc1cccnc1
O=C(/C=C/c1cccc(F)c1)OCCCc1cccnc1 c1cncc(c1)[*:1] O=C(/C=C/c1cccc(F)c1)OCCC[*:1]
O=C([O-])c1ccc(Cl)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] O=C(Nc1cc(ccc1Cl)[*:1])[C@H]1CC=CC[C@H]1C(=O)[O-]
O=C([O-])c1ccc(Cl)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 O=C([O-])[*:1] O=C([O-])c1ccc(Cl)c(c1)NC(=O)[C@H]1CC=CC[C@@H]1[*:1]
CC(C)C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCOCC1 CC(C)[*:1] O=C(NC[C@H](C[*:1])N1CCOCC1)c1nn(-c2ccc(F)cc2)c2CCCc12
CC(C)C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2CCCc12)[*:1]
CC(C)C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCOCC1 Fc1ccc(cc1)[*:1] CC(C)C[C@@H](CNC(=O)c1nn(c2CCCc12)[*:1])N1CCOCC1
CC(C)C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCOCC1 CC(C)C[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1nn(-c2ccc(F)cc2)c2CCCc12
Cc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)NC(=O)Nc1ccc(cc1)[*:1]
O=C(OCCOCC(F)(F)F)[C@H]1C[C@@]12CCOc1ccccc12 FC(F)(F)[*:1] O=C(OCCOC[*:1])[C@H]1C[C@@]12CCOc1ccccc12
O=C(OCCOCC(F)(F)F)[C@H]1C[C@@]12CCOc1ccccc12 FC(F)(F)COC[*:1] O=C(OC[*:1])[C@H]1C[C@@]12CCOc1ccccc12
O=C(OCCOCC(F)(F)F)[C@H]1C[C@@]12CCOc1ccccc12 FC(F)(F)C[*:1] O=C(OCCO[*:1])[C@H]1C[C@@]12CCOc1ccccc12
O=C(OCCOCC(F)(F)F)[C@H]1C[C@@]12CCOc1ccccc12 FC(F)(F)CO[*:1] O=C(OCC[*:1])[C@H]1C[C@@]12CCOc1ccccc12
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccco2)cc1 CCCC[*:1] N#C/C(=C\c1ccco1)C(=O)Nc1ccc(cc1)[*:1]
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccco2)cc1 CCC[*:1] N#C/C(=C\c1ccco1)C(=O)Nc1ccc(cc1)C[*:1]
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccco2)cc1 c1coc(c1)[*:1] CCCCc1ccc(cc1)NC(=O)C(C#N)=C[*:1]
COCCN1CC[NH+](CC(=O)Nc2cc(Cl)ccc2F)CC1=O COC[*:1] O=C(C[NH+]1CCN(C[*:1])C(=O)C1)Nc1cc(Cl)ccc1F
COCCN1CC[NH+](CC(=O)Nc2cc(Cl)ccc2F)CC1=O COCC[*:1] O=C(C[NH+]1CCN(C(=O)C1)[*:1])Nc1cc(Cl)ccc1F
C[C@@H](CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)Nc1ccc(F)cc1Cl)[*:1]
O=C(Nc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1)c1ccccc1 O=C([O-])[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1])c1ccccc1
O=C(Nc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@H]1CCCN(C1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)n1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)n1 CC(C)[*:1] CC(C)(C)c1csc(n1)NC(=O)c1ccn(n1)[*:1]
CC(C)n1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)n1 CC(C)(C)[*:1] CC(C)n1ccc(n1)C(=O)Nc1nc(cs1)[*:1]
C[C@@H](SCc1coc(-c2cccc(Cl)c2)n1)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] C[C@@H](SCc1coc(n1)-c1cccc(Cl)c1)[*:1]
C[C@@H](SCc1coc(-c2cccc(Cl)c2)n1)C(=O)NC1CCCC1 Clc1cccc(c1)[*:1] C[C@@H](SCc1coc(n1)[*:1])C(=O)NC1CCCC1
C[C@@H](SCc1coc(-c2cccc(Cl)c2)n1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](SCc1coc(n1)-c1cccc(Cl)c1)C(=O)N[*:1]
CCOc1ccccc1CCC(=O)N1CCc2cc(F)ccc2C1 CCO[*:1] O=C(CCc1ccccc1[*:1])N1CCc2cc(F)ccc2C1
COc1ccc(F)cc1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 C1CN(CCO1)[*:1] COc1ccc(F)cc1NC(=O)NCc1ccc[nH+]c1[*:1]
O=C(CC1CCCCC1)NCc1nc2ccccc2[nH]1 C1CCC(CC1)[*:1] O=C(C[*:1])NCc1nc2ccccc2[nH]1
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)N[C@@H](C)C3CCC3)C2)c1 CCOC(=O)[*:1] C[C@H](NC(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1])C1CCC1
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)N[C@@H](C)C3CCC3)C2)c1 C[C@@H](C1CCC1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)N[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)N[C@@H](C)C3CCC3)C2)c1 C1CC(C1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1C COC(=O)[*:1] CC1NC(=O)C[C@@H](C(=O)Nc2ccc(cc2C)[N+](=O)[O-])C=1[*:1]
COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc(cc1C)[*:1]
CCc1cccc(N[C@H](C)[C@H](C)C(=O)OC)c1 COC(=O)[*:1] CCc1cccc(c1)N[C@H](C)[C@H](C)[*:1]
CC(=O)Nc1c[n+](C2CC2)no1 CC(=O)N[*:1] c1c(on[n+]1C1CC1)[*:1]
CC(=O)Nc1c[n+](C2CC2)no1 C1CC1[*:1] CC(=O)Nc1c[n+](no1)[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO CN(C)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])C(=O)N[C@H]1CCCC[C@H]1CO
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cn[nH]c1 COC(=O)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1[*:1])c1cn[nH]c1
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cn[nH]c1 c1n[nH]cc1[*:1] COC(=O)C1=C(C)NC2CCCC(=O)C=2[C@@H]1[*:1]
CCCCNc1ccccc1C(=O)NCc1ccco1 CCCC[*:1] O=C(NCc1ccco1)c1ccccc1N[*:1]
CCCCNc1ccccc1C(=O)NCc1ccco1 CCCCN[*:1] O=C(NCc1ccco1)c1ccccc1[*:1]
CCCCNc1ccccc1C(=O)NCc1ccco1 c1coc(c1)C[*:1] CCCCNc1ccccc1C(=O)N[*:1]
CCCCNc1ccccc1C(=O)NCc1ccco1 c1coc(c1)[*:1] CCCCNc1ccccc1C(=O)NC[*:1]
CCCCNc1ccccc1C(=O)NCc1ccco1 CCC[*:1] O=C(NCc1ccco1)c1ccccc1NC[*:1]
CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n(-c2ccc(F)cc2)n1 CCOC(=O)[*:1] O=C(Nc1cccc(c1)-c1cc(nn1-c1ccc(F)cc1)[*:1])c1ccc(F)cc1
CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCOC(=O)c1cc(-c2cccc(c2)NC(=O)c2ccc(F)cc2)n(n1)[*:1]
CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCOC(=O)c1cc(-c2cccc(c2)NC(=O)[*:1])n(n1)-c1ccc(F)cc1
CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n(-c2ccc(F)cc2)n1 O=C(N[*:1])c1ccc(F)cc1 CCOC(=O)c1cc(-c2cccc(c2)[*:1])n(n1)-c1ccc(F)cc1
Cc1cccc(CCNC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)c1 Fc1cccc(c1)C[*:1] Cc1cccc(c1)CCNC(=O)[C@@H](n1nnnc1C)[*:1]
Cc1cccc(CCNC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)c1 Cc1cccc(c1)[*:1] Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCC[*:1]
Cc1cccc(CCNC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)c1 Cc1cccc(c1)C[*:1] Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[*:1]
Cc1cccc(CCNC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)c1 Cc1cccc(c1)CC[*:1] Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[*:1]
Cc1cccc(CCNC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1)CCNC(=O)[C@@H](C[*:1])n1nnnc1C
Cc1cccc(CCNC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)c1 Cc1nnnn1[*:1] Cc1cccc(c1)CCNC(=O)[C@@H](Cc1cccc(F)c1)[*:1]
O=C1NC[C@@H]2CN([C@@H]3CCC[C@H](C4CC4)C3)CCN2C1=O C1CC1[*:1] O=C1NC[C@@H]2CN(CCN2C1=O)[C@@H]1CCC[C@H](C1)[*:1]
C[C@@H](CNC(=O)[C@H]1SCCc2sccc21)Cn1cccn1 c1cnn(c1)C[*:1] C[C@@H](CNC(=O)[C@H]1SCCc2sccc21)[*:1]
C[C@@H](CNC(=O)[C@H]1SCCc2sccc21)Cn1cccn1 c1cnn(c1)[*:1] C[C@@H](CNC(=O)[C@H]1SCCc2sccc21)C[*:1]
CC[NH2+][C@H](Cc1cnn(C)c1)[C@]1(N(C)C)CCC[C@H](C)C1 Cn1cc(cn1)C[*:1] CC[NH2+][C@H]([C@@]1(CCC[C@H](C)C1)N(C)C)[*:1]
CC[NH2+][C@H](Cc1cnn(C)c1)[C@]1(N(C)C)CCC[C@H](C)C1 CN(C)[*:1] CC[NH2+][C@H](Cc1cnn(C)c1)[C@@]1(CCC[C@H](C)C1)[*:1]
CC[NH2+][C@H](Cc1cnn(C)c1)[C@]1(N(C)C)CCC[C@H](C)C1 Cn1cc(cn1)[*:1] CC[NH2+][C@H](C[*:1])[C@@]1(CCC[C@H](C)C1)N(C)C
O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(c1cccc(c1)NS(=O)(=O)c1ccccc1)N1CCC[C@@H]1[*:1]
O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1c1nc2ccccc2s1 O=S(=O)(N[*:1])c1ccccc1 O=C(c1cccc(c1)[*:1])N1CCC[C@H]1c1nc2ccccc2s1
O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1c1nc2ccccc2s1 c1ccc(cc1)[*:1] O=C(c1cccc(c1)NS(=O)(=O)[*:1])N1CCC[C@H]1c1nc2ccccc2s1
CSCCN(C)Cc1sc(N(C)C)nc1-c1ccccc1 CSCCN(C)C[*:1] CN(C)c1nc(-c2ccccc2)c(s1)[*:1]
CSCCN(C)Cc1sc(N(C)C)nc1-c1ccccc1 CSC[*:1] CN(Cc1sc(nc1-c1ccccc1)N(C)C)C[*:1]
CSCCN(C)Cc1sc(N(C)C)nc1-c1ccccc1 CSCC[*:1] CN(C)c1nc(-c2ccccc2)c(CN(C)[*:1])s1
CSCCN(C)Cc1sc(N(C)C)nc1-c1ccccc1 c1ccc(cc1)[*:1] CSCCN(C)Cc1sc(nc1[*:1])N(C)C
CSCCN(C)Cc1sc(N(C)C)nc1-c1ccccc1 CSCCN(C)[*:1] CN(C)c1nc(-c2ccccc2)c(C[*:1])s1
CSCCN(C)Cc1sc(N(C)C)nc1-c1ccccc1 CN(C)[*:1] CSCCN(C)Cc1sc(nc1-c1ccccc1)[*:1]
C[C@@H](NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12)C(=O)N[*:1]
C[C@@H](NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12)C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] C[C@@H](NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12)[*:1]
CS[C@@H](C)C(=O)N1CCC[C@H]1CN1CCOCC1 CS[C@@H](C)[*:1] O=C(N1CCC[C@H]1CN1CCOCC1)[*:1]
CS[C@@H](C)C(=O)N1CCC[C@H]1CN1CCOCC1 C1CN(CCO1)[*:1] CS[C@@H](C)C(=O)N1CCC[C@H]1C[*:1]
C[C@H](OC(=O)c1ccc(Cn2cncn2)cc1)C(=O)N1c2ccccc2C[C@@H]1C c1ncn(n1)[*:1] C[C@H](OC(=O)c1ccc(cc1)C[*:1])C(=O)N1c2ccccc2C[C@@H]1C
C[C@H](OC(=O)c1ccc(Cn2cncn2)cc1)C(=O)N1c2ccccc2C[C@@H]1C c1ncn(C[*:1])n1 C[C@H](OC(=O)c1ccc(cc1)[*:1])C(=O)N1c2ccccc2C[C@@H]1C
CCN(Cc1ccccn1)C(=O)[C@H]([NH3+])CCOC COCC[*:1] CCN(Cc1ccccn1)C(=O)[C@H]([NH3+])[*:1]
CCN(Cc1ccccn1)C(=O)[C@H]([NH3+])CCOC COC[*:1] CCN(Cc1ccccn1)C(=O)[C@H]([NH3+])C[*:1]
CCN(Cc1ccccn1)C(=O)[C@H]([NH3+])CCOC c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)[C@H]([NH3+])CCOC
O=C(Cc1ccccc1)Nc1nnc(-c2ccc(F)cc2Cl)s1 c1ccc(cc1)[*:1] O=C(C[*:1])Nc1nnc(s1)-c1ccc(F)cc1Cl
O=C(Cc1ccccc1)Nc1nnc(-c2ccc(F)cc2Cl)s1 c1ccc(cc1)C[*:1] O=C(Nc1nnc(s1)-c1ccc(F)cc1Cl)[*:1]
CC(=O)Nc1cccc(C(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)c1 CC(=O)N[*:1] O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)c1cccc(c1)[*:1]
CC(=O)Nc1cccc(C(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CC(=O)Nc1cccc(c1)C(=O)N[C@H]1C[C@@H]1[*:1]
CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)CC1 CC(C)(C)[*:1] CCOC(=O)C1CCN(CC1)S(=O)(=O)c1cc(cs1)-c1nc(cs1)[*:1]
CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)CC1 CCOC(=O)[*:1] CC(C)(C)c1csc(n1)-c1csc(c1)S(=O)(=O)N1CCC(CC1)[*:1]
CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)CC1 CC(C)(C)c1csc(n1)[*:1] CCOC(=O)C1CCN(CC1)S(=O)(=O)c1cc(cs1)[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC(=O)N(C)Cc2ccccc2)cc1 CN(Cc1ccccc1)C(=O)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C)c1nc2ccccc2n1C[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC(=O)N(C)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N(C)C[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC(=O)N(C)Cc2ccccc2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1
Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC(=O)N(C)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C(=O)N[C@@H](C)c1nc2ccccc2n1CC(=O)N(C)[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC(=O)N(C)Cc2ccccc2)cc1 Cc1ccc(cc1)C(=O)N[*:1] C[C@@H](c1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1)[*:1]
CC1CCN(C(=O)CS(=O)(=O)C[C@H](C)CO)CC1 C[C@H](CO)[*:1] CC1CCN(CC1)C(=O)CS(=O)(=O)C[*:1]
C[C@@H](CN1CCOCC1)NC(=O)c1cc(F)ccc1Br C1CN(CCO1)[*:1] C[C@@H](C[*:1])NC(=O)c1cc(F)ccc1Br
O=C(COc1cccc(F)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 Fc1cccc(c1)OC[*:1] O=C(Nc1nc(cs1)-c1ccc2OCCOc2c1)[*:1]
O=C(COc1cccc(F)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 Fc1cccc(c1)O[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccc2OCCOc2c1
O=C(COc1cccc(F)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 Fc1cccc(c1)[*:1] O=C(CO[*:1])Nc1nc(cs1)-c1ccc2OCCOc2c1
NC(=O)CCCNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O c1ccc(cc1)[*:1] NC(=O)CCCNC(=O)[C@@H](N1CCCCC1=O)[*:1]
NC(=O)CCCNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O NC(=O)CC[*:1] O=C(NC[*:1])[C@@H](c1ccccc1)N1CCCCC1=O
NC(=O)CCCNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O NC(=O)[*:1] O=C(NCCC[*:1])[C@@H](c1ccccc1)N1CCCCC1=O
NC(=O)CCCNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O O=C1CCCCN1[*:1] NC(=O)CCCNC(=O)[C@@H](c1ccccc1)[*:1]
NC(=O)CCCNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O NC(=O)CCC[*:1] O=C(N[*:1])[C@@H](c1ccccc1)N1CCCCC1=O
NC(=O)CCCNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O NC(=O)C[*:1] O=C(NCC[*:1])[C@@H](c1ccccc1)N1CCCCC1=O
COC(=O)C1=Nc2nnnn2[C@H](c2ccc(C(C)(C)C)cc2)[C@H]1C(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COC(=O)C1=Nc2nnnn2[C@H](c2ccc(cc2)C(C)(C)C)[C@H]1C(=O)[*:1]
COC(=O)C1=Nc2nnnn2[C@H](c2ccc(C(C)(C)C)cc2)[C@H]1C(=O)c1ccc(C)cc1 CC(C)(C)[*:1] COC(=O)C1=Nc2nnnn2[C@H](c2ccc(cc2)[*:1])[C@H]1C(=O)c1ccc(C)cc1
COC(=O)C1=Nc2nnnn2[C@H](c2ccc(C(C)(C)C)cc2)[C@H]1C(=O)c1ccc(C)cc1 CC(C)(C)c1ccc(cc1)[*:1] COC(=O)C1=Nc2nnnn2[C@H]([C@H]1C(=O)c1ccc(C)cc1)[*:1]
COC(=O)C1=Nc2nnnn2[C@H](c2ccc(C(C)(C)C)cc2)[C@H]1C(=O)c1ccc(C)cc1 Cc1ccc(cc1)C(=O)[*:1] COC(=O)C1=Nc2nnnn2[C@H](c2ccc(cc2)C(C)(C)C)[C@@H]1[*:1]
O=C1NC[C@H](c2ccccc2)Cc2[nH]c(Cc3nc(-c4cccnc4)no3)nc21 c1cncc(c1)[*:1] O=C1NC[C@@H](Cc2[nH]c(Cc3nc(no3)[*:1])nc21)c1ccccc1
O=C1NC[C@H](c2ccccc2)Cc2[nH]c(Cc3nc(-c4cccnc4)no3)nc21 c1ccc(cc1)[*:1] O=C1NC[C@H](Cc2[nH]c(Cc3nc(no3)-c3cccnc3)nc21)[*:1]
COc1cccc([C@@H]2C[NH+]=C(N)N2C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] COc1cccc(c1)[C@@H]1C[NH+]=C(N)N1C[*:1]
COc1cccc([C@@H]2C[NH+]=C(N)N2C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] COc1cccc(c1)[C@@H]1C[NH+]=C(N)N1[*:1]
Cc1ccc([N-]S(=O)(=O)c2cn(C(C)C)c[nH+]2)c(O)c1 CC(C)[*:1] Cc1ccc([N-]S(=O)(=O)c2cn(c[nH+]2)[*:1])c(O)c1
COC(=O)c1ccc(CN(C)C(=O)Nc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] COC(=O)c1ccc(cc1)CN(C)C(=O)N[*:1]
COC(=O)c1ccc(CN(C)C(=O)Nc2cccc(C)c2)cc1 COC(=O)[*:1] Cc1cccc(c1)NC(=O)N(C)Cc1ccc(cc1)[*:1]
Nc1c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc(F)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1c(cc(F)cc1[*:1])C(=O)N1CCO[C@@H]2CCCC[C@H]21
COc1cc2c(cc1OC)CN(C(=O)N[C@@H]1CCN(c3ccccc3)C1)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)N[C@@H]1CCN(C1)[*:1]
N#CC(C#N)=c1s/c(=C\c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccccc1 O=[N+]([O-])c1ccccc1[*:1] N#CC(C#N)=c1sc(=C[*:1])c(=O)n1Cc1ccccc1
N#CC(C#N)=c1s/c(=C\c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccccc1 O=[N+]([O-])[*:1] N#CC(C#N)=c1s/c(=C\c2ccccc2[*:1])c(=O)n1Cc1ccccc1
N#CC(C#N)=c1s/c(=C\c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] N#CC(C#N)=c1s/c(=C\c2ccccc2[N+](=O)[O-])c(=O)n1C[*:1]
N#CC(C#N)=c1s/c(=C\c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] N#CC(C#N)=c1s/c(=C\c2ccccc2[N+](=O)[O-])c(=O)n1[*:1]
CCOC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O CCOC(=O)[*:1] Cc1ccc(NC(=O)c2sc3ncn(c(=O)c3c2C)[C@H](C)[*:1])c(C)c1
CCOC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O Cc1ccc(c(C)c1)[*:1] CCOC(=O)[C@@H](C)n1cnc2sc(C(=O)N[*:1])c(C)c2c1=O
CC[C@H](Cc1ccccc1)NC(=O)COc1ccc2ccc(=O)oc2c1 c1ccc(cc1)C[*:1] CC[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)COc1ccc2ccc(=O)oc2c1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)COc1ccc2ccc(=O)oc2c1
Cc1cccc(C)c1C[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1cccc(C)c1C[NH2+]CCCN1CCC[C@@H]1[*:1]
Cc1ccc(NC(=O)CSc2nc3ccccc3o2)c(OC[C@H]2CCCO2)c1 c1ccc2oc(nc2c1)[*:1] Cc1ccc(NC(=O)CS[*:1])c(c1)OC[C@H]1CCCO1
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)C2=CCC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1CC(=NN1C(=O)COC(=O)C1=CCC1)[*:1]
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)C2=CCC2)cc1 COc1ccc(cc1)[*:1] O=C(OCC(=O)N1N=C(C[C@H]1[*:1])c1ccccc1)C1=CCC1
Cc1ccccc1NC(=O)CNC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ccccc1NC(=O)CNC(=O)O[*:1]
O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Cl)c(F)c1 C1CC1[*:1] O=C(NCc1ccc(cc1)S(=O)(=O)N[*:1])Nc1ccc(Cl)c(F)c1
O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Cl)c(F)c1 O=S(=O)(NC1CC1)[*:1] O=C(NCc1ccc(cc1)[*:1])Nc1ccc(Cl)c(F)c1
O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] O=C(NCc1ccc(cc1)S(=O)(=O)NC1CC1)N[*:1]
Cc1cc(-n2c(=O)c3sccc3n(CC(=O)N3CCN(Cc4ccccc4)CC3)c2=O)ccc1F Cc1cc(ccc1F)[*:1] O=C(Cn1c(=O)n(c(=O)c2sccc21)[*:1])N1CCN(CC1)Cc1ccccc1
Cc1cc(-n2c(=O)c3sccc3n(CC(=O)N3CCN(Cc4ccccc4)CC3)c2=O)ccc1F c1ccc(cc1)C[*:1] Cc1cc(ccc1F)-n1c(=O)c2sccc2n(CC(=O)N2CCN(CC2)[*:1])c1=O
Cc1cc(-n2c(=O)c3sccc3n(CC(=O)N3CCN(Cc4ccccc4)CC3)c2=O)ccc1F c1ccc(cc1)[*:1] Cc1cc(ccc1F)-n1c(=O)c2sccc2n(CC(=O)N2CCN(CC2)C[*:1])c1=O
CC[NH2+][C@@H](Cc1ccccn1)[C@](C)(CC)[NH+](C)C c1ccc(nc1)[*:1] CC[NH2+][C@@H](C[*:1])[C@](C)(CC)[NH+](C)C
COc1cccc(CCC[NH2+][C@@H](C)C(C)C)c1 CC(C)[*:1] COc1cccc(c1)CCC[NH2+][C@@H](C)[*:1]
CCC1(CNC(=O)NCc2cc[nH+]c(N3CCO[C@@H](C)C3)c2)CCC1 CCC1(CCC1)[*:1] C[C@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)NC[*:1]
CCC1(CNC(=O)NCc2cc[nH+]c(N3CCO[C@@H](C)C3)c2)CCC1 CCC1(CCC1)C[*:1] C[C@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)N[*:1]
O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(NCc1ccc(cc1)N1CCCC1=O)c1ccccc1[*:1]
O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)N1CCCC1=O)c1ccccc1C(=O)[*:1]
O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1C(=O)c1ccccc1 O=C1CCCN1[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccccc1C(=O)c1ccccc1
CC(=O)NNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 CC(=O)NNC(=O)[*:1] O=C(Nc1sccc1[*:1])c1ccc(cc1)S(=O)(=O)N1CCCCCC1
CC(=O)NNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 O=S(=O)(N1CCCCCC1)[*:1] CC(=O)NNC(=O)c1ccsc1NC(=O)c1ccc(cc1)[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 Brc1cnn(c1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)C[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 Brc1cnn(c1)C[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(cc1)[*:1]
O=C(Nc1ccc(-n2cncn2)cc1)C(=O)N1CCN(CC2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(Nc1ccc(cc1)-n1cncn1)C(=O)N1CCN(CC1)C[*:1]
O=C(Nc1ccc(-n2cncn2)cc1)C(=O)N1CCN(CC2CCCCC2)CC1 c1ncn(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CCN(CC1)CC1CCCCC1
O=C(Nc1ccc(-n2cncn2)cc1)C(=O)N1CCN(CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] O=C(Nc1ccc(cc1)-n1cncn1)C(=O)N1CCN(CC1)[*:1]
Cc1ccc2c(C[NH+](C)CC(=O)Nc3ccc(F)c(F)c3F)cc(=O)oc2c1 Fc1ccc(c(F)c1F)[*:1] Cc1ccc2c(cc(=O)oc2c1)C[NH+](C)CC(=O)N[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1cc(C)c(c(C)c1C(=O)N1CCCN(CC1)C(=O)O[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)N1CCCN(CC1)C(=O)OC(C)(C)C)[*:1]
COCCCn1cc(-c2c(C(=O)Nc3ccc(F)cc3Cl)oc3ccccc23)cc(C#N)c1=O COCCC[*:1] N#Cc1cc(cn(c1=O)[*:1])-c1c(oc2ccccc12)C(=O)Nc1ccc(F)cc1Cl
COCCCn1cc(-c2c(C(=O)Nc3ccc(F)cc3Cl)oc3ccccc23)cc(C#N)c1=O COCC[*:1] N#Cc1cc(cn(C[*:1])c1=O)-c1c(oc2ccccc12)C(=O)Nc1ccc(F)cc1Cl
COCCCn1cc(-c2c(C(=O)Nc3ccc(F)cc3Cl)oc3ccccc23)cc(C#N)c1=O Fc1ccc(c(Cl)c1)[*:1] COCCCn1cc(cc(C#N)c1=O)-c1c(oc2ccccc12)C(=O)N[*:1]
COCCCn1cc(-c2c(C(=O)Nc3ccc(F)cc3Cl)oc3ccccc23)cc(C#N)c1=O O=C(Nc1ccc(F)cc1Cl)[*:1] COCCCn1cc(cc(C#N)c1=O)-c1c(oc2ccccc12)[*:1]
COCCCn1cc(-c2c(C(=O)Nc3ccc(F)cc3Cl)oc3ccccc23)cc(C#N)c1=O COC[*:1] N#Cc1cc(cn(CC[*:1])c1=O)-c1c(oc2ccccc12)C(=O)Nc1ccc(F)cc1Cl
Cc1c(C(=O)N[C@@H](C)c2ccccc2)ccc2cncn12 c1ccc(cc1)[*:1] Cc1c(ccc2cncn12)C(=O)N[C@@H](C)[*:1]
O=c1c2ccccc2[nH]c(=S)n1CCc1ccccc1Cl Clc1ccccc1[*:1] O=c1c2ccccc2[nH]c(=S)n1CC[*:1]
CC[C@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1ccccc1OC COc1ccccc1[*:1] CC[C@H](Sc1nnc2ccc3ccccc3n12)C(=O)N[*:1]
Cn1nccc1C1CC[NH+](CCCSCc2ccccc2)CC1 Cn1nccc1[*:1] c1ccc(cc1)CSCCC[NH+]1CCC(CC1)[*:1]
Cn1nccc1C1CC[NH+](CCCSCc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cn1nccc1C1CC[NH+](CCCS[*:1])CC1
Cn1nccc1C1CC[NH+](CCCSCc2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1nccc1C1CC[NH+](CCCSC[*:1])CC1
CO[C@H](C)c1cccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)c1 CO[C@H](C)[*:1] O=C(NNc1cccc(c1)[N+](=O)[O-])Nc1cccc(c1)[*:1]
CO[C@H](C)c1cccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] CO[C@H](C)c1cccc(c1)NC(=O)NNc1cccc(c1)[*:1]
C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2)c2ccccc21 N#Cc1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)C(=O)NC[*:1])c2ccccc21
C[C@@H]1CN(C2CCN(Cc3ccc(F)cc3OC(F)(F)F)CC2)CCO1 FC(F)(F)O[*:1] C[C@@H]1CN(CCO1)C1CCN(CC1)Cc1ccc(F)cc1[*:1]
C[C@@H]1CN(C2CCN(Cc3ccc(F)cc3OC(F)(F)F)CC2)CCO1 FC(F)(F)[*:1] C[C@@H]1CN(CCO1)C1CCN(CC1)Cc1ccc(F)cc1O[*:1]
CCc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCO[C@@H]3C)C2)n1 CCc1csc(n1)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](C1)[*:1]
C[C@H](Nc1nc2ccc(F)cc2s1)C1CCCC1 C1CCC(C1)[*:1] C[C@H](Nc1nc2ccc(F)cc2s1)[*:1]
CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2csc3[n+]2CCN3)C1 CC(C)=C[*:1] C[C@@]1(CCC(=O)N(Cc2csc3NCC[n+]23)C1)CC[*:1]
CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2csc3[n+]2CCN3)C1 CC(C)=CC[*:1] C[C@@]1(CCC(=O)N(Cc2csc3NCC[n+]23)C1)C[*:1]
CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2csc3[n+]2CCN3)C1 CC(C)=CCC[*:1] C[C@]1(CCC(=O)N(Cc2csc3NCC[n+]23)C1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 CCC[C@@H](C)[*:1] O=C(Nc1ccc(F)c(F)c1F)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 CCC[C@@H](C)NC(=O)[*:1] O=C(Nc1ccc(F)c(F)c1F)C(=O)N1CCC[C@H](C1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 CCC[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(F)c(F)c1F)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 Fc1ccc(c(F)c1F)[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)C(=O)N[*:1]
CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(C)cs1)C2=O Cc1csc(n1)[*:1] CCC1CCC2(CC1)NC(=O)N(CC(=O)N[*:1])C2=O
COc1ccc(-n2nc(C(=O)N[C@H]3CCc4nc(C)nn4C3)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1nc2CC[C@@H](Cn2n1)NC(=O)c1cc(C)n(n1)[*:1]
Cc1cccc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)OCC(=O)NNC(=O)c1cc(ccc1Cl)[*:1]
Cc1cccc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])NNC(=O)c1cc(ccc1Cl)[N+](=O)[O-]
Cc1cccc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])NNC(=O)c1cc(ccc1Cl)[N+](=O)[O-]
O=C(N[C@H]1N=C(c2ccco2)CS1)C1=CC(C(=O)N2CCCC2)=NC1 c1coc(c1)[*:1] O=C(N[C@H]1N=C(CS1)[*:1])C1=CC(=NC1)C(=O)N1CCCC1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1)c1cccs1 c1cncc(c1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc(Cl)cc1)[*:1])c1cccs1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1)c1cccs1 O=C(c1cccs1)[*:1] O=C1C([O-])=C([C@H](c2ccc(Cl)cc2)N1Cc1cccnc1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1)c1cccs1 c1cncc(c1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(Cl)cc1)c1cccs1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1)c1cccs1 Clc1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1[*:1])c1cccs1
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1)c1cccs1 c1csc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc(Cl)cc2)N1Cc1cccnc1
Cc1nsc(NC(=O)c2cnc(C)c(Cl)c2Br)n1 Cc1nsc(n1)[*:1] Cc1ncc(C(=O)N[*:1])c(Br)c1Cl
Cc1ccc(CN2C[C@H](C(=O)N[C@H](c3ccccn3)C(C)C)CC2=O)cc1 Cc1ccc(cc1)C[*:1] CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccccn1
Cc1ccc(CN2C[C@H](C(=O)N[C@H](c3ccccn3)C(C)C)CC2=O)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)N[C@H](C(C)C)[*:1]
Cc1ccc(CN2C[C@H](C(=O)N[C@H](c3ccccn3)C(C)C)CC2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)CN1C[C@@H](CC1=O)C(=O)N[C@H](c1ccccn1)[*:1]
Cc1ccc(CN2C[C@H](C(=O)N[C@H](c3ccccn3)C(C)C)CC2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(C1)C[*:1])c1ccccn1
CC(=O)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
CC(=O)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 CC(=O)[*:1] O=S(=O)(NCCN1CCOCC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)NCC[*:1]
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC1(C)COC1 CC1(COC1)C[*:1] C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[*:1]
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC1(C)COC1 CC1(COC1)[*:1] C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OC[*:1]
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)CC(=O)N1 Cc1ccccc1NC(=O)[*:1] CC(C)c1ccc(cc1)[C@H]1CC(=O)NC(SC[*:1])=C1C#N
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)CC(=O)N1 CC(C)c1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CSC1NC(=O)C[C@H](C=1C#N)[*:1]
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)CC(=O)N1 Cc1ccccc1[*:1] CC(C)c1ccc(cc1)[C@H]1CC(=O)NC(SCC(=O)N[*:1])=C1C#N
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)CC(=O)N1 CC(C)[*:1] Cc1ccccc1NC(=O)CSC1NC(=O)C[C@@H](C=1C#N)c1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)Nc1ccc(Br)nc1C CC[C@@H](C)[*:1] Cc1nc(Br)ccc1NC(=O)N[*:1]
N/C(Cc1cccs1)=N\OC(=O)COc1ccc(Br)cc1 c1csc(c1)C[*:1] N/C(=N\OC(=O)COc1ccc(Br)cc1)[*:1]
N/C(Cc1cccs1)=N\OC(=O)COc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] N/C(Cc1cccs1)=N\OC(=O)CO[*:1]
N/C(Cc1cccs1)=N\OC(=O)COc1ccc(Br)cc1 c1csc(c1)[*:1] N/C(C[*:1])=N\OC(=O)COc1ccc(Br)cc1
Cc1cccc(NNC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 c1coc(c1)[*:1] Cc1cccc(c1)NNC(=O)c1cc(nc2onc(C)c12)[*:1]
Cc1cccc(NNC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 Cc1cccc(c1)[*:1] Cc1noc2nc(cc(C(=O)NN[*:1])c12)-c1ccco1
CCCN(CCc1ccccn1)C(=O)NCC1(C)Cc2ccccc2C1 CCC[*:1] CC1(CNC(=O)N(CCc2ccccn2)[*:1])Cc2ccccc2C1
CCCN(CCc1ccccn1)C(=O)NCC1(C)Cc2ccccc2C1 c1ccc(CC[*:1])nc1 CCCN(C(=O)NCC1(C)Cc2ccccc2C1)[*:1]
CCCN(CCc1ccccn1)C(=O)NCC1(C)Cc2ccccc2C1 c1ccc(C[*:1])nc1 CCCN(C[*:1])C(=O)NCC1(C)Cc2ccccc2C1
CCCN(CCc1ccccn1)C(=O)NCC1(C)Cc2ccccc2C1 c1ccc(nc1)[*:1] CCCN(CC[*:1])C(=O)NCC1(C)Cc2ccccc2C1
O=S(=O)(c1ccccc1)c1nnn2c1nc(Nc1cccc(F)c1)c1ccccc12 Fc1cccc(c1)[*:1] O=S(=O)(c1ccccc1)c1nnn2c1nc(N[*:1])c1ccccc12
O=S(=O)(c1ccccc1)c1nnn2c1nc(Nc1cccc(F)c1)c1ccccc12 c1ccc(cc1)[*:1] O=S(=O)(c1nnn2c1nc(Nc1cccc(F)c1)c1ccccc12)[*:1]
O=S(=O)(c1ccccc1)c1nnn2c1nc(Nc1cccc(F)c1)c1ccccc12 O=S(=O)(c1ccccc1)[*:1] Fc1cccc(c1)Nc1nc2c(nnn2c2ccccc12)[*:1]
O=S(=O)(c1ccccc1)c1nnn2c1nc(Nc1cccc(F)c1)c1ccccc12 Fc1cccc(c1)N[*:1] O=S(=O)(c1ccccc1)c1nnn2c1nc(c1ccccc12)[*:1]
Cc1ccc(C)c(S(=O)(=O)N(C)c2ccccn2)c1 c1ccc(nc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N(C)[*:1]
CS(=O)(=O)Cc1ccccc1NC(=O)N1CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)[*:1] CS(=O)(=O)Cc1ccccc1NC(=O)N1CC[NH+](CC1)C[*:1]
CS(=O)(=O)Cc1ccccc1NC(=O)N1CC[NH+](CC2CCCCC2)CC1 CS(=O)(=O)C[*:1] O=C(Nc1ccccc1[*:1])N1CC[NH+](CC1)CC1CCCCC1
CS(=O)(=O)Cc1ccccc1NC(=O)N1CC[NH+](CC2CCCCC2)CC1 C1CCC(CC1)C[*:1] CS(=O)(=O)Cc1ccccc1NC(=O)N1CC[NH+](CC1)[*:1]
CS(=O)(=O)Cc1ccccc1NC(=O)N1CC[NH+](CC2CCCCC2)CC1 CS(=O)(=O)[*:1] O=C(Nc1ccccc1C[*:1])N1CC[NH+](CC1)CC1CCCCC1
O=C(Nc1c[nH]nc1-c1ccccn1)N1CC[C@H](Oc2cc[nH+]cc2)C1 c1ccc(nc1)[*:1] O=C(Nc1c[nH]nc1[*:1])N1CC[C@@H](C1)Oc1cc[nH+]cc1
CN(C)C(=O)c1cc(NCC(=O)N[C@@](C)(C#N)C2CC2)ccc1F C1CC1[*:1] CN(C)C(=O)c1cc(ccc1F)NCC(=O)N[C@@](C)(C#N)[*:1]
CN(C)C(=O)c1cc(NCC(=O)N[C@@](C)(C#N)C2CC2)ccc1F CN(C)C(=O)[*:1] C[C@@](C#N)(NC(=O)CNc1ccc(F)c(c1)[*:1])C1CC1
O=C(C[C@@H]1S/C(=N/N=C/c2ccc(F)cc2)NC1=O)Nc1ccc(Br)cc1 Fc1ccc(cc1)[*:1] O=C(C[C@@H]1S/C(=N/N=C[*:1])NC1=O)Nc1ccc(Br)cc1
O=C(C[C@@H]1S/C(=N/N=C/c2ccc(F)cc2)NC1=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(C[C@@H]1S/C(=N/N=C/c2ccc(F)cc2)NC1=O)N[*:1]
CC(C)Oc1ccccc1CNC(=O)c1nn(-c2ccccc2)c2c1COC2 c1ccc(cc1)[*:1] CC(C)Oc1ccccc1CNC(=O)c1nn(c2COCc12)[*:1]
CC(C)Oc1ccccc1CNC(=O)c1nn(-c2ccccc2)c2c1COC2 CC(C)[*:1] O=C(NCc1ccccc1O[*:1])c1nn(-c2ccccc2)c2COCc12
CC(C)Oc1ccccc1CNC(=O)c1nn(-c2ccccc2)c2c1COC2 CC(C)O[*:1] O=C(NCc1ccccc1[*:1])c1nn(-c2ccccc2)c2COCc12
CC(=O)c1c(C(C)=O)c2ccc3cccc1n32 CC(=O)[*:1] CC(=O)c1c(c2ccc3cccc1n32)[*:1]
CC(=O)c1c(C(C)=O)c2ccc3cccc1n32 CC(=O)[*:1] CC(=O)c1c(c2cccc3ccc1n32)[*:1]
Cc1ccc(N2C(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C(=O)[C@H]2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C(=O)N(CC(=O)N[C@@H](C)CC[*:1])C(=O)[C@H]1C
Cc1ccc(N2C(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C(=O)[C@H]2C)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)N1C(=O)N(CC(=O)N[C@@H](C)C[*:1])C(=O)[C@H]1C
Cc1ccc(N2C(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C(=O)[C@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)[C@@H](C)N(C1=O)[*:1]
Cc1ccc(N2C(=O)N(CC(=O)N[C@@H](C)CCc3ccccc3)C(=O)[C@H]2C)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)N1C(=O)N(CC(=O)N[C@@H](C)[*:1])C(=O)[C@H]1C
C[C@H]1CCN(C(=O)CCNC(=O)C2CCCCC2)C[C@H]1O C1CCC(CC1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)CCNC(=O)[*:1]
CN1C[C@H](C2=NC(=O)[C@H]3SC(c4ccccc4)=CC3=N2)C=N1 c1ccc(cc1)[*:1] CN1C[C@@H](C=N1)C1=NC(=O)[C@H]2SC(=CC2=N1)[*:1]
CC1(CNC(=O)c2coc(S(N)(=O)=O)c2)Cc2ccccc2C1 NS(=O)(=O)[*:1] CC1(CNC(=O)c2coc(c2)[*:1])Cc2ccccc2C1
CN(C[C@H](O)C1CC1)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 C1CC1[*:1] CN(C[C@H](O)[*:1])C(=O)CCC(=O)c1ccc2CCCCc2c1
CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)C)cc1 CC(=O)[*:1] CN(C)C(=O)CCNS(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)NCC[*:1]
CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)C)cc1 CN(C)C(=O)C[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)NC[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)c3cc(Br)ccc3F)CC2)c1 Fc1ccc(Br)cc1[*:1] COc1ccc(OC)c(c1)CN1CCN(CC1)C(=O)[*:1]
C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)[*:1] C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1O[*:1]
C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 C1CCC(C1)O[*:1] C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1[*:1]
CCOc1cc(C)c(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)cc1C(C)C COC(=O)C[*:1] CCOc1cc(C)c(/C=C2/C(=O)N(C)C(=S)N2[*:1])cc1C(C)C
CCOc1cc(C)c(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)cc1C(C)C CC(C)[*:1] CCOc1cc(C)c(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)cc1[*:1]
CCOc1cc(C)c(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)cc1C(C)C CCO[*:1] COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(c(cc1C)[*:1])C(C)C
CCOc1cc(C)c(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)cc1C(C)C COC(=O)[*:1] CCOc1cc(C)c(/C=C2/C(=O)N(C)C(=S)N2C[*:1])cc1C(C)C
C/C=C/C(=O)NCc1ccsc1 CC=C[*:1] O=C(NCc1ccsc1)[*:1]
CC(C)[S@](=O)c1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1 CC(C)[S@](=O)[*:1] C[C@H]1CCN(C(=O)c2ccc(cc2)[*:1])[C@H]2CCCC[C@H]12
CC(C)[S@](=O)c1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1 CC(C)[*:1] C[C@H]1CCN(C(=O)c2ccc(cc2)[S@@](=O)[*:1])[C@H]2CCCC[C@H]12
CCCC[C@@H](C)Nc1nc2ccc(Br)cn2n1 CCC[*:1] C[C@H](C[*:1])Nc1nc2ccc(Br)cn2n1
CCCC[C@@H](C)Nc1nc2ccc(Br)cn2n1 CCCC[*:1] C[C@@H](Nc1nc2ccc(Br)cn2n1)[*:1]
C[C@@H](C(=O)N[C@@H](C(N)=O)c1ccccc1)c1ccsc1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@@H](C(N)=O)[*:1])c1ccsc1
C[C@@H](C(=O)N[C@@H](C(N)=O)c1ccccc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@H](C(=O)N[C@@H](C(N)=O)c1ccccc1)[*:1]
C[C@@H](C(=O)N[C@@H](C(N)=O)c1ccccc1)c1ccsc1 NC(=O)[*:1] C[C@@H](C(=O)N[C@@H](c1ccccc1)[*:1])c1ccsc1
CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 CC(C)O[*:1] CC(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 CC(C)c1ccccc1[*:1] CC(C)Oc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 CC(C)[*:1] CC(C)Oc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1ccccc1[*:1]
CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 CC(C)[*:1] CC(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)O[*:1]
CCC[C@@H](C[NH3+])[C@H](O)CCc1ccco1 CCC[*:1] [NH3+]C[C@@H]([C@H](O)CCc1ccco1)[*:1]
CCC[C@@H](C[NH3+])[C@H](O)CCc1ccco1 c1coc(c1)[*:1] CCC[C@@H](C[NH3+])[C@H](O)CC[*:1]
Cc1noc(C)c1C[C@H](C)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] Cc1noc(C)c1C[C@H](C)C(=O)N(C)Cc1nc(cs1)[*:1]
Cc1noc(C)c1C[C@H](C)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 Cc1noc(C)c1C[*:1] C[C@H](C(=O)N(C)Cc1nc(cs1)C(F)(F)F)[*:1]
Cc1noc(C)c1C[C@H](C)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 Cc1noc(C)c1[*:1] C[C@@H](C[*:1])C(=O)N(C)Cc1nc(cs1)C(F)(F)F
O=C(NCc1ccccc1CN1CCOCC1)N[C@@H]1CCCC[C@@H]1CO C1CN(CCO1)C[*:1] O=C(NCc1ccccc1[*:1])N[C@@H]1CCCC[C@@H]1CO
O=C(NCc1ccccc1CN1CCOCC1)N[C@@H]1CCCC[C@@H]1CO C1CN(CCO1)[*:1] O=C(NCc1ccccc1C[*:1])N[C@@H]1CCCC[C@@H]1CO
C[C@H](CO)CS(=O)(=O)CC(=O)NCC1CCC1 C[C@H](CO)[*:1] O=C(CS(=O)(=O)C[*:1])NCC1CCC1
C[C@H](CO)CS(=O)(=O)CC(=O)NCC1CCC1 C1CC(C1)[*:1] C[C@H](CO)CS(=O)(=O)CC(=O)NC[*:1]
C[C@H](CO)CS(=O)(=O)CC(=O)NCC1CCC1 C1CC(C1)C[*:1] C[C@H](CO)CS(=O)(=O)CC(=O)N[*:1]
C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(OCc2ccccn2)c1 C1CO[C@H](C1)C[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)OCc1ccccn1
C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(OCc2ccccn2)c1 c1ccc(nc1)[*:1] C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(c1)OC[*:1]
C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(OCc2ccccn2)c1 c1ccc(CO[*:1])nc1 C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(c1)[*:1]
C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(OCc2ccccn2)c1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)C[*:1])c1cccc(c1)OCc1ccccn1
C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(OCc2ccccn2)c1 c1ccc(C[*:1])nc1 C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(c1)O[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CC#N)C2CCCC2)n1 C1CCC(C1)[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)N(CC#N)[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CC#N)C2CCCC2)n1 N#CC[*:1] Cc1cc(F)ccc1-n1cc([O-])c(n1)C(=O)N(C1CCCC1)[*:1]
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CC#N)C2CCCC2)n1 Cc1cc(F)ccc1[*:1] N#CCN(C(=O)c1nn(cc1[O-])[*:1])C1CCCC1
Cc1ccc[nH+]c1N1CCN(C[C@H]2CCOC2)CC1 C1C[C@@H](CO1)[*:1] Cc1ccc[nH+]c1N1CCN(CC1)C[*:1]
Cc1ccc[nH+]c1N1CCN(C[C@H]2CCOC2)CC1 C1C[C@@H](CO1)C[*:1] Cc1ccc[nH+]c1N1CCN(CC1)[*:1]
CC(C)Cc1nnc(NC(=O)CCCC(=O)[O-])s1 CC(C)[*:1] O=C([O-])CCCC(=O)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)CCCC(=O)[O-])s1 O=C([O-])CC[*:1] CC(C)Cc1nnc(NC(=O)C[*:1])s1
CC(C)Cc1nnc(NC(=O)CCCC(=O)[O-])s1 O=C([O-])CCC[*:1] CC(C)Cc1nnc(NC(=O)[*:1])s1
CC(C)Cc1nnc(NC(=O)CCCC(=O)[O-])s1 CC(C)C[*:1] O=C([O-])CCCC(=O)Nc1nnc(s1)[*:1]
CC(C)Cc1nnc(NC(=O)CCCC(=O)[O-])s1 O=C([O-])C[*:1] CC(C)Cc1nnc(NC(=O)CC[*:1])s1
CC(C)Cc1nnc(NC(=O)CCCC(=O)[O-])s1 O=C([O-])[*:1] CC(C)Cc1nnc(NC(=O)CCC[*:1])s1
CCCCc1ccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/O)C2)C3(C)C)cc1 CCC[*:1] CC1(C)[C@@]2(CC[C@@]1(C)/C(C2)=N/O)C(=O)Nc1ccc(cc1)C[*:1]
CCCCc1ccc(NC(=O)[C@@]23CC[C@@](C)(/C(=N/O)C2)C3(C)C)cc1 CCCC[*:1] CC1(C)[C@@]2(CC[C@@]1(C)/C(C2)=N/O)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)N1CCCn2nc(CNC(=O)c3ncc(F)cc3F)cc2C1 Fc1cnc(c(F)c1)[*:1] CC(=O)N1CCCn2nc(cc2C1)CNC(=O)[*:1]
CCc1nn(C)c2c1[nH]c(=S)n2CC1CCCCC1 C1CCC(CC1)[*:1] CCc1nn(C)c2c1[nH]c(=S)n2C[*:1]
Cc1ccc(C(=O)NNC(=O)CCc2ncc(-c3ccccc3F)o2)o1 Fc1ccccc1[*:1] Cc1ccc(o1)C(=O)NNC(=O)CCc1ncc(o1)[*:1]
Cc1ccc(C(=O)NNC(=O)CCc2ncc(-c3ccccc3F)o2)o1 Cc1ccc(o1)[*:1] O=C(CCc1ncc(o1)-c1ccccc1F)NNC(=O)[*:1]
Cc1nnc(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)nc1[O-] c1ccc2cc(ccc2c1)[*:1] Cc1nnc(nc1[O-])SCC(=O)N1N=C(C[C@H]1c1ccccc1)[*:1]
Cc1nnc(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)nc1[O-] c1ccc(cc1)[*:1] Cc1nnc(nc1[O-])SCC(=O)N1N=C(C[C@@H]1[*:1])c1ccc2ccccc2c1
CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccon2)C1 c1cc(no1)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CSc1ccc(C(=O)N(CC[NH+](C)C)c2nc3cc(C)c(C)cc3s2)cc1 CSc1ccc(cc1)[*:1] Cc1cc2nc(sc2cc1C)N(CC[NH+](C)C)C(=O)[*:1]
CCOCCO[C@@H](C)C(=O)Nc1ccc(C)c2ncccc12 CCOCCO[*:1] Cc1ccc(NC(=O)[C@H](C)[*:1])c2cccnc12
CCOCCO[C@@H](C)C(=O)Nc1ccc(C)c2ncccc12 CCOCC[*:1] Cc1ccc(NC(=O)[C@H](C)O[*:1])c2cccnc12
CCOCCO[C@@H](C)C(=O)Nc1ccc(C)c2ncccc12 CCOC[*:1] Cc1ccc(NC(=O)[C@H](C)OC[*:1])c2cccnc12
CCOCCO[C@@H](C)C(=O)Nc1ccc(C)c2ncccc12 CCO[*:1] Cc1ccc(NC(=O)[C@H](C)OCC[*:1])c2cccnc12
Cc1c(C(=O)N(C)CCc2ccccn2)sc2ccc(F)cc12 c1ccc(nc1)[*:1] Cc1c(sc2ccc(F)cc12)C(=O)N(C)CC[*:1]
Cc1c(C(=O)N(C)CCc2ccccn2)sc2ccc(F)cc12 c1ccc(C[*:1])nc1 Cc1c(sc2ccc(F)cc12)C(=O)N(C)C[*:1]
CCOC(=O)c1ccc(NC(=S)Nc2cccc(N)n2)cc1 Nc1cccc(n1)[*:1] CCOC(=O)c1ccc(cc1)NC(=S)N[*:1]
CCOC(=O)c1ccc(NC(=S)Nc2cccc(N)n2)cc1 CCOC(=O)[*:1] Nc1cccc(n1)NC(=S)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1 CC(C)[*:1] C[C@H]([NH2+][C@H](CO)[*:1])c1ccc(F)c(F)c1
Cc1ccc(N2CCC[C@@H](C(=O)Nc3cc(N4CC[NH+](C)CC4)ncn3)C2)nn1 Cc1ccc(nn1)[*:1] C[NH+]1CCN(CC1)c1cc(ncn1)NC(=O)[C@@H]1CCCN(C1)[*:1]
CCCC[NH2+]Cc1cccc(OC)c1 CCCC[*:1] COc1cccc(c1)C[NH2+][*:1]
CCCC[NH2+]Cc1cccc(OC)c1 CCC[*:1] COc1cccc(c1)C[NH2+]C[*:1]
CN(C)c1ncc(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)s1 CN(C)c1ncc(s1)[*:1] O=C(Nc1ccnn1C1CCN(CC1)C[*:1])[C@@H]1CCOC1
CN(C)c1ncc(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)s1 CN(C)c1ncc(C[*:1])s1 O=C(Nc1ccnn1C1CCN(CC1)[*:1])[C@@H]1CCOC1
CN(C)c1ncc(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)s1 CN(C)[*:1] O=C(Nc1ccnn1C1CCN(CC1)Cc1cnc(s1)[*:1])[C@@H]1CCOC1
CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 CC(=O)[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] CC(=O)c1cccc(c1)NC(=O)[C@@H]1CCCN1C(=O)O[*:1]
Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 C1CC1c1nc(no1)[*:1] Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]1[*:1]
Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 C1CC1[*:1] Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]1c1noc(n1)[*:1]
C/C(C(=O)[O-])=C(\C)C(=O)NCc1cscc1C O=C([O-])[*:1] CC(C(=O)NCc1cscc1C)=C(C)[*:1]
CC(C)(C)Oc1cc(CNC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)ccn1 NC(=O)[*:1] CC(C)(C)Oc1cc(ccn1)CNC(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
CC(C)(C)Oc1cc(CNC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)ccn1 CC(C)(C)[*:1] NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)NCc1ccnc(c1)O[*:1]
CC(C)(C)Oc1cc(CNC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)ccn1 CC(C)(C)O[*:1] NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)NCc1ccnc(c1)[*:1]
C[C@H]1Nc2ccc(Cl)cc2C(=O)N1NC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]1Nc2ccc(Cl)cc2C(=O)N1NC(=O)CO[*:1]
C[C@H]1Nc2ccc(Cl)cc2C(=O)N1NC(=O)COc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] C[C@H]1Nc2ccc(Cl)cc2C(=O)N1NC(=O)C[*:1]
COc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)n2C)c1 FC(F)(F)[*:1] COc1cccc(c1)-c1nnc(S[C@H](C)C(=O)Nc2cccc(c2)[*:1])n1C
COc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)n2C)c1 COc1cccc(c1)[*:1] C[C@@H](Sc1nnc(n1C)[*:1])C(=O)Nc1cccc(c1)C(F)(F)F
COc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)n2C)c1 FC(F)(F)c1cccc(c1)[*:1] COc1cccc(c1)-c1nnc(S[C@H](C)C(=O)N[*:1])n1C
COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)c1 COc1cccc(c1)[*:1] C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1[*:1]
CN(C)c1cccc(C(=O)N2CCN(Cc3cnc4ccccn34)CC2)c1 CN(C)c1cccc(c1)[*:1] O=C(N1CCN(CC1)Cc1cnc2ccccn12)[*:1]
CN(C)c1cccc(C(=O)N2CCN(Cc3cnc4ccccn34)CC2)c1 CN(C)[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)Cc1cnc2ccccn12
CN(C)c1cccc(C(=O)N2CCN(Cc3cnc4ccccn34)CC2)c1 c1ccn2c(cnc2c1)[*:1] CN(C)c1cccc(c1)C(=O)N1CCN(CC1)C[*:1]
C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCc1nc(-c2ccco2)n[nH]1 c1coc(c1)[*:1] C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCc1nc(n[nH]1)[*:1]
COC(=O)c1cc(N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)c1cc(ccc1[*:1])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21
COC(=O)c1cc(N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)ccc1[N+](=O)[O-] COC(=O)[*:1] O=[N+]([O-])c1ccc(cc1[*:1])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21
Cn1c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc2sccc21 Cn1c(cc2sccc21)[*:1] O=C(N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1)[*:1]
Cn1c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc2sccc21 c1ccc(cc1)[*:1] Cn1c(cc2sccc21)C(=O)N1CC[NH+](CC1)C(c1ccccc1)[*:1]
CC(=O)c1ccc(N2Cc3cnc(C(C)(C)C)nc3C2)nc1 CC(C)(C)[*:1] CC(=O)c1ccc(nc1)N1Cc2cnc(nc2C1)[*:1]
CC(=O)c1ccc(N2Cc3cnc(C(C)(C)C)nc3C2)nc1 CC(=O)[*:1] CC(C)(C)c1ncc2CN(Cc2n1)c1ccc(cn1)[*:1]
COc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC c1ccc2[nH]c(nc2c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1ccc(C(=O)NN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)C(=O)NN1C(=O)c2ccc(cc2C1=O)[*:1]
OC1(C[NH2+]C[C@@H]2COc3ccccc32)CCCC1 OC1(CCCC1)[*:1] c1ccc2c(c1)OC[C@H]2C[NH2+]C[*:1]
Cc1ncc(C(=O)Nc2ccc(Cc3nnc4ccccn34)cc2)s1 Cc1ncc(s1)[*:1] O=C(Nc1ccc(cc1)Cc1nnc2ccccn12)[*:1]
CCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 CCCNC(=O)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)[C@@H](C)[*:1]
CCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 Cc1ccc(cc1C)[*:1] CCCNC(=O)[C@H](C)N1CCN(CC1)S(=O)(=O)[*:1]
CCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 CCC[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)[C@@H](C)C(=O)N[*:1]
CCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 CCCNC(=O)[C@H](C)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3F)C(=O)C(C)C)C2)cc1 Fc1ccc(c(F)c1)[*:1] Cc1ccc(cc1)C1C[C@H](CN(C[*:1])C(=O)C(C)C)ON=1
Cc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3F)C(=O)C(C)C)C2)cc1 Fc1ccc(C[*:1])c(F)c1 Cc1ccc(cc1)C1C[C@H](CN(C(=O)C(C)C)[*:1])ON=1
Cc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3F)C(=O)C(C)C)C2)cc1 CC(C)[*:1] Cc1ccc(cc1)C1C[C@H](CN(Cc2ccc(F)cc2F)C(=O)[*:1])ON=1
Cc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3F)C(=O)C(C)C)C2)cc1 Cc1ccc(cc1)[*:1] CC(C)C(=O)N(Cc1ccc(F)cc1F)C[C@H]1CC(=NO1)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@@]1(C(=O)N(C)c2ccccc21)N(Cc1ccccc1Cl)C3=O Clc1ccccc1C[*:1] Cc1cc2oc3C(=O)N([C@]4(C(=O)N(C)c5ccccc54)c3c(=O)c2cc1C)[*:1]
Cc1cc2oc3c(c(=O)c2cc1C)[C@@]1(C(=O)N(C)c2ccccc21)N(Cc1ccccc1Cl)C3=O Clc1ccccc1[*:1] Cc1cc2oc3C(=O)N(C[*:1])[C@]4(C(=O)N(C)c5ccccc54)c3c(=O)c2cc1C
COCCCNC(=O)[C@H]1CCCN(c2nc3ccc(C)cc3s2)C1 COCCCNC(=O)[*:1] Cc1ccc2nc(sc2c1)N1CCC[C@@H](C1)[*:1]
COCCCNC(=O)[C@H]1CCCN(c2nc3ccc(C)cc3s2)C1 COC[*:1] Cc1ccc2nc(sc2c1)N1CCC[C@@H](C1)C(=O)NCC[*:1]
COCCCNC(=O)[C@H]1CCCN(c2nc3ccc(C)cc3s2)C1 COCC[*:1] Cc1ccc2nc(sc2c1)N1CCC[C@@H](C1)C(=O)NC[*:1]
COCCCNC(=O)[C@H]1CCCN(c2nc3ccc(C)cc3s2)C1 COCCC[*:1] Cc1ccc2nc(sc2c1)N1CCC[C@@H](C1)C(=O)N[*:1]
O=C(c1csc(S(=O)(=O)NCc2ccccc2Cl)c1)N1CCOCC1 Clc1ccccc1C[*:1] O=C(c1csc(c1)S(=O)(=O)N[*:1])N1CCOCC1
O=C(c1csc(S(=O)(=O)NCc2ccccc2Cl)c1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=S(=O)(NCc1ccccc1Cl)c1cc(cs1)[*:1]
O=C(c1csc(S(=O)(=O)NCc2ccccc2Cl)c1)N1CCOCC1 Clc1ccccc1[*:1] O=C(c1csc(c1)S(=O)(=O)NC[*:1])N1CCOCC1
C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1[C@@H](C)C1CC1 C1CC1[*:1] C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1[C@@H](C)[*:1]
C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1[C@@H](C)C1CC1 C[C@@H](C1CC1)[*:1] C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1[*:1]
Cc1cnc([C@@H](C)NC(=O)NCc2ccc(-n3ccnc3)nc2)s1 c1cn(cn1)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NCc1ccc(nc1)[*:1]
Cc1cnc([C@@H](C)NC(=O)NCc2ccc(-n3ccnc3)nc2)s1 Cc1cnc(s1)[*:1] C[C@@H](NC(=O)NCc1ccc(nc1)-n1ccnc1)[*:1]
Cc1nc2n(n1)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)CC2 O=[N+]([O-])[*:1] Cc1nc2CC[C@H](Cn2n1)NC(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(C)N(C[C@H]1COc2ccccc2C1)C(=O)CCCN1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C1c2ccccc2C(=O)N1CCCC(=O)N(C[C@H]1COc2ccccc2C1)[*:1]
Cc1ccc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)o2)cc1C Clc1ccc(cc1)[*:1] Cc1ccc(cc1C)-c1nnc(NC(=O)CCCS(=O)(=O)[*:1])o1
Cc1ccc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)o2)cc1C Cc1ccc(cc1C)[*:1] O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(o1)[*:1]
C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](NC(=O)c1c(F)cccc1Cl)[*:1]
COc1cccc(N2CCN(C(=O)c3csc(NC(=O)Nc4ccc(C)cc4)n3)CC2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)Nc1nc(cs1)C(=O)N1CCN(CC1)[*:1]
COc1cccc(N2CCN(C(=O)c3csc(NC(=O)Nc4ccc(C)cc4)n3)CC2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)c1csc(n1)NC(=O)N[*:1]
N#CCSCCC[NH+]1CCC(NC(=O)c2ccccc2F)CC1 N#CCSCC[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1ccccc1F
N#CCSCCC[NH+]1CCC(NC(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] N#CCSCCC[NH+]1CCC(CC1)NC(=O)[*:1]
N#CCSCCC[NH+]1CCC(NC(=O)c2ccccc2F)CC1 N#CCSC[*:1] O=C(NC1CC[NH+](CC1)CC[*:1])c1ccccc1F
N#CCSCCC[NH+]1CCC(NC(=O)c2ccccc2F)CC1 N#CC[*:1] O=C(NC1CC[NH+](CCCS[*:1])CC1)c1ccccc1F
N#CCSCCC[NH+]1CCC(NC(=O)c2ccccc2F)CC1 N#CCS[*:1] O=C(NC1CC[NH+](CCC[*:1])CC1)c1ccccc1F
Cc1cc(/C=C/C(=O)[O-])ccc1O O=C([O-])[*:1] Cc1cc(C=C[*:1])ccc1O
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1cccc(C)c1 Cc1cccc(c1)[*:1] CCOC(=O)[C@H]1C(=O)N=C(N[C@H]1[*:1])N1CCN(C=O)CC1
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1cccc(C)c1 CCOC(=O)[*:1] Cc1cccc(c1)[C@H]1NC(=NC(=O)[C@@H]1[*:1])N1CCN(C=O)CC1
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCC1(CC)CCC1 CCO[*:1] CCC1(CCC1)CNC(=O)Nc1cc(ccc1[*:1])C(=O)N(C)C
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCC1(CC)CCC1 CN(C)C(=O)[*:1] CCOc1ccc(cc1NC(=O)NCC1(CC)CCC1)[*:1]
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCC1(CC)CCC1 CCC1(CCC1)C[*:1] CCOc1ccc(cc1NC(=O)N[*:1])C(=O)N(C)C
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCC1(CC)CCC1 CCC1(CCC1)[*:1] CCOc1ccc(cc1NC(=O)NC[*:1])C(=O)N(C)C
O=C(c1cccc[n+]1[O-])N1CCCC[C@@H]1CCc1ccccc1 [O-][n+]1ccccc1[*:1] O=C(N1CCCC[C@@H]1CCc1ccccc1)[*:1]
O=C(c1cccc[n+]1[O-])N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] O=C(c1cccc[n+]1[O-])N1CCCC[C@@H]1CC[*:1]
O=C(c1cccc[n+]1[O-])N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1cccc[n+]1[O-])N1CCCC[C@@H]1C[*:1]
COc1ccc(F)c(-c2nc(COc3ccccc3C(N)=O)c(C)o2)c1 NC(=O)[*:1] COc1ccc(F)c(c1)-c1nc(COc2ccccc2[*:1])c(C)o1
Cc1cccc([C@H]2CCCN2C(=O)NCCc2nnc3n2CCC3)c1C Cc1cccc(c1C)[*:1] O=C(NCCc1nnc2CCCn21)N1CCC[C@@H]1[*:1]
Cc1cccc([C@H]2CCCN2C(=O)NCCc2nnc3n2CCC3)c1C C1Cc2nnc(n2C1)[*:1] Cc1cccc(c1C)[C@H]1CCCN1C(=O)NCC[*:1]
O=C(NCc1cccc(OCC(F)F)n1)NCc1c(F)cccc1F FC(F)CO[*:1] O=C(NCc1cccc(n1)[*:1])NCc1c(F)cccc1F
O=C(NCc1cccc(OCC(F)F)n1)NCc1c(F)cccc1F FC(F)C[*:1] O=C(NCc1cccc(n1)O[*:1])NCc1c(F)cccc1F
O=C(NCc1cccc(OCC(F)F)n1)NCc1c(F)cccc1F FC(F)[*:1] O=C(NCc1cccc(n1)OC[*:1])NCc1c(F)cccc1F
O=C(NCc1cccc(OCC(F)F)n1)NCc1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(NCc1cccc(n1)OCC(F)F)NC[*:1]
COCCN(C)C(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C C1CO[C@H](C1)C[*:1] COCCN(C)C(=O)c1sc2ncnc(N[*:1])c2c1C
COCCN(C)C(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C COC[*:1] Cc1c(sc2ncnc(NC[C@H]3CCCO3)c12)C(=O)N(C)C[*:1]
COCCN(C)C(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C C1CO[C@H](C1)[*:1] COCCN(C)C(=O)c1sc2ncnc(NC[*:1])c2c1C
COCCN(C)C(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C COCCN(C)C(=O)[*:1] Cc1c(sc2ncnc(NC[C@H]3CCCO3)c12)[*:1]
COCCN(C)C(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C COCC[*:1] Cc1c(sc2ncnc(NC[C@H]3CCCO3)c12)C(=O)N(C)[*:1]
COCCN(C)C(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C C1CO[C@H](C1)CN[*:1] COCCN(C)C(=O)c1sc2ncnc(c2c1C)[*:1]
COc1cc(C#N)ccc1OCC(=O)N1CC=C(c2cccc(C)c2)CC1 Cc1cccc(c1)[*:1] COc1cc(C#N)ccc1OCC(=O)N1CC=C(CC1)[*:1]
CCOc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2O)CC1 CCOc1ccccc1[*:1] O=C(c1cc2ccccc2cc1O)N1CCN(CC1)[*:1]
CCOc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2O)CC1 CCO[*:1] O=C(c1cc2ccccc2cc1O)N1CCN(CC1)c1ccccc1[*:1]
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1C[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CC[NH+](CC1)[*:1]
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 c1cc2OCOc2cc1[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CC[NH+](CC1)C[*:1]
C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)C=C1CCSCC1 FC(F)(F)[*:1] C[C@H](Cc1ccc(cc1)[*:1])NC(=O)C=C1CCSCC1
Cc1cc([C@@](C)(O)CNC(=O)/C=C/c2ccccc2)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@@](O)(CNC(=O)/C=C/c1ccccc1)[*:1]
Cc1cc([C@@](C)(O)CNC(=O)/C=C/c2ccccc2)c(C)o1 c1ccc(cc1)[*:1] Cc1cc(c(C)o1)[C@@](C)(O)CNC(=O)C=C[*:1]
Cc1cc(Br)cn2cc(CC[NH3+])nc12 [NH3+]CC[*:1] Cc1cc(Br)cn2cc(nc12)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)NCCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)NCCc1nccn1[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)NCCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)NCCc1nccn1C[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)NCCc1nccn1Cc1ccccc1 Cc1nn(C)cc1[*:1] C[C@H](NC(=O)NCCc1nccn1Cc1ccccc1)[*:1]
C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc(Br)cc1 C1CC1[*:1] C[C@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccc(Br)cc1
CCC[C@@H](C[NH3+])[C@]1(O)CCCC[C@@H]1c1ccccc1 CCC[*:1] [NH3+]C[C@@H]([C@]1(O)CCCC[C@@H]1c1ccccc1)[*:1]
CCC[C@@H](C[NH3+])[C@]1(O)CCCC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C[NH3+])[C@]1(O)CCCC[C@H]1[*:1]
Cc1ccccc1OC1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)C1 Oc1cccc(c1)[*:1] Cc1ccccc1OC1CN(C1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccccc1OC1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)C1 Cc1ccccc1[*:1] O=C([C@@H]1CC(=O)N(C1)c1cccc(O)c1)N1CC(C1)O[*:1]
Cc1ccccc1OC1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)C1 Cc1ccccc1O[*:1] O=C([C@@H]1CC(=O)N(C1)c1cccc(O)c1)N1CC(C1)[*:1]
COc1ccc(NC(=O)N(C)CCc2noc(-c3ccc(F)cc3)n2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)N(C)CCc1noc(n1)[*:1]
COc1ccc(NC(=O)N(C)CCc2noc(-c3ccc(F)cc3)n2)cc1 COc1ccc(cc1)[*:1] CN(CCc1noc(n1)-c1ccc(F)cc1)C(=O)N[*:1]
Cc1ccc([C@@H](O)[C@@H]2CCC[C@H](S(C)(=O)=O)C2)o1 Cc1ccc(o1)[*:1] CS(=O)(=O)[C@H]1CCC[C@H](C1)[C@H](O)[*:1]
Cc1ccc([C@@H](O)[C@@H]2CCC[C@H](S(C)(=O)=O)C2)o1 CS(=O)(=O)[*:1] Cc1ccc(o1)[C@@H](O)[C@@H]1CCC[C@H](C1)[*:1]
C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccoc1 c1cc(co1)[*:1] C[C@H]([NH2+]Cc1ccc(Br)s1)[*:1]
CCC(=O)Nc1ccc(NC(=O)NCc2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCC(=O)Nc1ccc(cc1)NC(=O)NC[*:1]
CCC(=O)Nc1ccc(NC(=O)NCc2ccccc2Cl)cc1 CCC(=O)N[*:1] O=C(NCc1ccccc1Cl)Nc1ccc(cc1)[*:1]
Cc1ccc(C)c([C@H](C)NCCc2nc(C(C)C)no2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)[C@H](C)NCCc1nc(no1)[*:1]
Cc1c(C(=O)Nc2ccc(OC(F)F)c(F)c2)oc2c1C(=O)CCC2 FC(F)O[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)Nc1ccc(c(F)c1)[*:1]
Cc1c(C(=O)Nc2ccc(OC(F)F)c(F)c2)oc2c1C(=O)CCC2 FC(F)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)Nc1ccc(O[*:1])c(F)c1
O=C(Cc1nc2ccccc2oc1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cc1nc2ccccc2oc1=O)[*:1]
Cc1csc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)n1 c1coc(c1)C[*:1] Cc1csc(n1)NC(=O)C[NH+](Cc1cccs1)[*:1]
Cc1csc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)n1 c1coc(c1)[*:1] Cc1csc(n1)NC(=O)C[NH+](Cc1cccs1)C[*:1]
Cc1csc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)n1 c1csc(c1)C[*:1] Cc1csc(n1)NC(=O)C[NH+](Cc1ccco1)[*:1]
Cc1csc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)n1 Cc1csc(n1)[*:1] O=C(C[NH+](Cc1ccco1)Cc1cccs1)N[*:1]
Cc1csc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)n1 c1csc(c1)[*:1] Cc1csc(n1)NC(=O)C[NH+](Cc1ccco1)C[*:1]
O=C(COc1ccccc1)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COc1ccccc1)n1nc(nc1NC[*:1])-c1ccco1
O=C(COc1ccccc1)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 c1coc(c1)[*:1] O=C(COc1ccccc1)n1nc(nc1NCc1ccc(F)cc1)[*:1]
O=C(COc1ccccc1)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 c1ccc(cc1)O[*:1] O=C(C[*:1])n1nc(nc1NCc1ccc(F)cc1)-c1ccco1
O=C(COc1ccccc1)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(COc1ccccc1)n1nc(nc1N[*:1])-c1ccco1
O=C(COc1ccccc1)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 Fc1ccc(cc1)CN[*:1] O=C(COc1ccccc1)n1nc(nc1[*:1])-c1ccco1
O=C(COc1ccccc1)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 c1ccc(cc1)OC[*:1] O=C(n1nc(nc1NCc1ccc(F)cc1)-c1ccco1)[*:1]
O=C(COc1ccccc1)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CO[*:1])n1nc(nc1NCc1ccc(F)cc1)-c1ccco1
O=C(Nc1ccc(OCc2ccccc2F)cc1)C1=CCCCO1 Fc1ccccc1[*:1] O=C(Nc1ccc(cc1)OC[*:1])C1=CCCCO1
O=C(Nc1ccc(OCc2ccccc2F)cc1)C1=CCCCO1 Fc1ccccc1C[*:1] O=C(Nc1ccc(cc1)O[*:1])C1=CCCCO1
CCn1ccc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)cc1=O CCn1ccc(cc1=O)[*:1] O=C(N1CCC(CC1)c1[nH]ncc1-c1ccccc1)[*:1]
CCn1ccc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)cc1=O c1ccc(cc1)[*:1] CCn1ccc(cc1=O)C(=O)N1CCC(CC1)c1[nH]ncc1[*:1]
CC(C)(C)CCCNC(=O)N[C@H]1CCCC[C@@H]1CO CC(C)(C)C[*:1] O=C(NCC[*:1])N[C@H]1CCCC[C@@H]1CO
CC(C)(C)CCCNC(=O)N[C@H]1CCCC[C@@H]1CO CC(C)(C)[*:1] O=C(NCCC[*:1])N[C@H]1CCCC[C@@H]1CO
CC(C)(C)CCCNC(=O)N[C@H]1CCCC[C@@H]1CO CC(C)(C)CC[*:1] O=C(NC[*:1])N[C@H]1CCCC[C@@H]1CO
C[C@@H](NC(=O)N1CCCSCC1)c1ccc(S(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] C[C@@H](NC(=O)N1CCCSCC1)c1ccc(c(F)c1)[*:1]
Cn1cc(-c2nc(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)cs2)cn1 O=C1CNC(=O)N1[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)Nc1cccc(c1)C[*:1]
Cn1cc(-c2nc(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)cs2)cn1 O=C1CNC(=O)N1C[*:1] Cn1cc(cn1)-c1nc(cs1)C(=O)Nc1cccc(c1)[*:1]
Cn1cc(-c2nc(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)cs2)cn1 Cn1cc(cn1)[*:1] O=C(Nc1cccc(c1)CN1C(=O)CNC1=O)c1csc(n1)[*:1]
O=C(/C=C\c1c(F)cccc1Cl)NC1CC1 C1CC1[*:1] O=C(/C=C\c1c(F)cccc1Cl)N[*:1]
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 c1ccc(cc1)[*:1] O=C(NCc1ccc(F)cc1)C1CCN(CC1)C(=O)C1(CCC1)[*:1]
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)C1(CCC1)c1ccccc1
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])C1CCN(CC1)C(=O)C1(CCC1)c1ccccc1
Cc1noc(C)c1COc1ccc(CC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1 Cc1noc(C)c1[*:1] O=C(Cc1ccc(cc1)OC[*:1])NCc1cc(Cl)c2OCCCOc2c1
Cc1noc(C)c1COc1ccc(CC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1 Cc1noc(C)c1CO[*:1] O=C(Cc1ccc(cc1)[*:1])NCc1cc(Cl)c2OCCCOc2c1
Cc1noc(C)c1COc1ccc(CC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1 Cc1noc(C)c1C[*:1] O=C(Cc1ccc(cc1)O[*:1])NCc1cc(Cl)c2OCCCOc2c1
C[NH+](C/C=C/c1ccco1)CCC(F)(F)F c1coc(c1)[*:1] C[NH+](CC=C[*:1])CCC(F)(F)F
C[NH+](C/C=C/c1ccco1)CCC(F)(F)F FC(F)(F)[*:1] C[NH+](C/C=C/c1ccco1)CC[*:1]
C[NH+](C/C=C/c1ccco1)CCC(F)(F)F FC(F)(F)C[*:1] C[NH+](C/C=C/c1ccco1)C[*:1]
O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N[*:1]
O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(F)c(Cl)c1 c1coc(c1)[*:1] O=C(COC(=O)c1cc(nc2ccccc12)[*:1])Nc1ccc(F)c(Cl)c1
Cc1sc(-c2ccco2)nc1/C([O-])=N/S(=O)(=O)/C=C\c1ccccc1 c1coc(c1)[*:1] Cc1sc(nc1/C([O-])=N/S(=O)(=O)/C=C\c1ccccc1)[*:1]
Cc1sc(-c2ccco2)nc1/C([O-])=N/S(=O)(=O)/C=C\c1ccccc1 c1ccc(cc1)[*:1] Cc1sc(nc1/C([O-])=N/S(=O)(=O)C=C[*:1])-c1ccco1
Cc1sc(-c2ccco2)nc1/C([O-])=N/S(=O)(=O)/C=C\c1ccccc1 C(=C[*:1])c1ccccc1 Cc1sc(nc1/C([O-])=N/S(=O)(=O)[*:1])-c1ccco1
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1cccnc1 CC(C)(C)[*:1] O=C([O-])C[C@H](NC(=O)O[*:1])c1cccnc1
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1cccnc1 O=C([O-])[*:1] CC(C)(C)OC(=O)N[C@@H](C[*:1])c1cccnc1
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1cccnc1 O=C([O-])C[*:1] CC(C)(C)OC(=O)N[C@@H](c1cccnc1)[*:1]
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1cccnc1 c1cncc(c1)[*:1] CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])[*:1]
CC[NH+](CC)CCSc1ccc2nnc(C(F)F)n2n1 FC(F)[*:1] CC[NH+](CC)CCSc1ccc2nnc(n2n1)[*:1]
COc1ccc(NC(=O)N2CCN(Cc3cccs3)CC2)cn1 c1csc(c1)C[*:1] COc1ccc(cn1)NC(=O)N1CCN(CC1)[*:1]
COc1ccc(NC(=O)N2CCN(Cc3cccs3)CC2)cn1 c1csc(c1)[*:1] COc1ccc(cn1)NC(=O)N1CCN(CC1)C[*:1]
CCOC(=O)C[C@H](C)Sc1snc(Cl)c1C#N CCOC(=O)[*:1] C[C@@H](C[*:1])Sc1snc(Cl)c1C#N
N/C(=N/O)[C@@H]1CN(C[C@@H]2CCCCO2)CCO1 N/C(=N/O)[*:1] C1CC[C@@H](CN2CCO[C@@H](C2)[*:1])OC1
COCc1ccccc1NCc1c[nH]nc1-c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COCc1ccccc1NCc1c[nH]nc1[*:1]
COCc1ccccc1NCc1c[nH]nc1-c1ccc(OC)cc1 COC[*:1] COc1ccc(cc1)-c1n[nH]cc1CNc1ccccc1[*:1]
O=C(CCn1cncn1)NCCC1=CCCCC1 c1ncn(n1)[*:1] O=C(CC[*:1])NCCC1=CCCCC1
O=C(CCn1cncn1)NCCC1=CCCCC1 c1ncn(C[*:1])n1 O=C(C[*:1])NCCC1=CCCCC1
C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccco1 Fc1ccc(cc1F)[*:1] C[C@@H](NC(=O)c1ccc(cc1)NS(=O)(=O)[*:1])c1ccco1
C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccco1 c1coc(c1)[*:1] C[C@@H](NC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(F)c(F)c1)[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1N(C)[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1N(C)C[*:1]
CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1 CC(C)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccccc1N(C)Cc1ccccc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(-c2ccc(C)cc2)no1 Cc1ccc(cc1)[*:1] CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(no1)[*:1]
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(-c2ccc(C)cc2)no1 CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1)-c1noc(CN2CCc3cc(ccc32)[*:1])n1
CCC[NH2+][C@]1(CO)CC[C@@H](Sc2cc(Cl)ccc2Cl)C1 CCC[*:1] OC[C@]1(CC[C@H](C1)Sc1cc(Cl)ccc1Cl)[NH2+][*:1]
CN(C(=O)CN1CCN(S(N)(=O)=O)CC1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CN1CCN(CC1)S(N)(=O)=O)[*:1]
CCc1ccccc1NC(=O)N(CCO)Cc1ccccc1 OCC[*:1] CCc1ccccc1NC(=O)N(Cc1ccccc1)[*:1]
CCc1ccccc1NC(=O)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] CCc1ccccc1NC(=O)N(CCO)C[*:1]
CCc1ccccc1NC(=O)N(CCO)Cc1ccccc1 c1ccc(cc1)C[*:1] CCc1ccccc1NC(=O)N(CCO)[*:1]
CCOc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc1 c1ccc(nc1)[*:1] CCOc1ccc(cc1)C[NH+]1CCC(CC1)c1cc(=O)[nH]c(n1)[*:1]
CCOc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc1 CCO[*:1] O=c1cc(nc([nH]1)-c1ccccn1)C1CC[NH+](CC1)Cc1ccc(cc1)[*:1]
CCOc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=c1cc(nc([nH]1)-c1ccccn1)C1CC[NH+](CC1)C[*:1]
C=CCC(=O)N1CCC[C@@H](CCc2cccc(OC)c2)C1 C=CC[*:1] COc1cccc(c1)CC[C@@H]1CCCN(C1)C(=O)[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccs2)n1[*:1]
C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 c1csc(c1)[*:1] C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
Cc1nc(Cl)cc(N[C@@H](c2ncc(C)s2)C2CC2)n1 C1CC1[*:1] Cc1nc(Cl)cc(n1)N[C@@H](c1ncc(C)s1)[*:1]
Cc1nc(Cl)cc(N[C@@H](c2ncc(C)s2)C2CC2)n1 Cc1cnc(s1)[*:1] Cc1nc(Cl)cc(n1)N[C@@H](C1CC1)[*:1]
CCNC(=O)c1ccc(N)cc1NC[C@@]1(C)CCCO1 CCNC(=O)[*:1] C[C@@]1(CCCO1)CNc1cc(N)ccc1[*:1]
CC(C)[C@@H]1C[C@](CC#N)(c2ccccc2)CCO1 N#CC[*:1] CC(C)[C@@H]1C[C@@](CCO1)(c1ccccc1)[*:1]
CC(C)[C@@H]1C[C@](CC#N)(c2ccccc2)CCO1 CC(C)[*:1] N#CC[C@]1(CCO[C@@H](C1)[*:1])c1ccccc1
CC(C)[C@@H]1C[C@](CC#N)(c2ccccc2)CCO1 c1ccc(cc1)[*:1] CC(C)[C@@H]1C[C@](CC#N)(CCO1)[*:1]
Cc1cc2occ(CC(=O)N3CCC(C(N)=O)CC3)c2cc1C(C)C NC(=O)[*:1] Cc1cc2occ(CC(=O)N3CCC(CC3)[*:1])c2cc1C(C)C
Cc1cc2occ(CC(=O)N3CCC(C(N)=O)CC3)c2cc1C(C)C CC(C)[*:1] Cc1cc2occ(CC(=O)N3CCC(CC3)C(N)=O)c2cc1[*:1]
CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccnc2)nc1 CCC[*:1] C[C@@H]([C@@H]1CCCN1C(=O)Nc1ccc(nc1)Oc1cccnc1)[*:1]
CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)O[*:1] CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(nc1)[*:1]
CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)[*:1] CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(nc1)O[*:1]
CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccnc2)nc1 CCC[C@@H](C)[*:1] O=C(Nc1ccc(nc1)Oc1cccnc1)N1CCC[C@H]1[*:1]
Cc1cccc([C@H](CNc2cc(C(C)C)nc3ccnn23)[NH+](C)C)c1 CC(C)[*:1] Cc1cccc(c1)[C@H](CNc1cc(nc2ccnn12)[*:1])[NH+](C)C
Cc1cccc([C@H](CNc2cc(C(C)C)nc3ccnn23)[NH+](C)C)c1 Cc1cccc(c1)[*:1] CC(C)c1cc(NC[C@H]([NH+](C)C)[*:1])n2nccc2n1
Cc1cc(O)ccc1NC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1cc(O)ccc1NC(=O)[*:1]
Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@H](C)c1cccc(C#N)c1 Cn1cc(cn1)[*:1] Cc1nc(sc1C(=O)N[C@H](C)c1cccc(C#N)c1)[*:1]
Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@H](C)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] Cc1nc(sc1C(=O)N[C@H](C)[*:1])-c1cnn(C)c1
CC(C)Oc1ccc([C@@H](O)C2(C#N)CCOCC2)cc1 CC(C)[*:1] N#CC1(CCOCC1)[C@H](O)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc([C@@H](O)C2(C#N)CCOCC2)cc1 CC(C)O[*:1] N#CC1(CCOCC1)[C@H](O)c1ccc(cc1)[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 CC(C)(C)[*:1] O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1ccnn1[*:1]
Cc1ccc(S(=O)(=O)Oc2ccc3oc(=O)cc(C)c3c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(=O)oc2ccc(cc12)OS(=O)(=O)[*:1]
c1cncc(Cn2cc[nH+]c2[C@@H]2CCCN(c3cnccn3)C2)c1 c1cnc(cn1)[*:1] c1cncc(c1)Cn1cc[nH+]c1[C@@H]1CCCN(C1)[*:1]
c1cncc(Cn2cc[nH+]c2[C@@H]2CCCN(c3cnccn3)C2)c1 c1cncc(c1)[*:1] c1cnc(cn1)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
c1cncc(Cn2cc[nH+]c2[C@@H]2CCCN(c3cnccn3)C2)c1 c1cncc(c1)C[*:1] c1cnc(cn1)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
CC[C@H](C)S[C@@H](C)CCO OCC[*:1] CC[C@H](C)S[C@@H](C)[*:1]
CC(C)[C@@](C)(O)CNC(=O)NCc1cccc(NC(=O)N(C)C)c1 CN(C)C(=O)N[*:1] CC(C)[C@@](C)(O)CNC(=O)NCc1cccc(c1)[*:1]
CC(C)[C@@](C)(O)CNC(=O)NCc1cccc(NC(=O)N(C)C)c1 CC(C)[*:1] CN(C)C(=O)Nc1cccc(c1)CNC(=O)NC[C@@](C)(O)[*:1]
O=C(CC[C@H]1CCCO1)NCc1cccc(N2CCOC2=O)c1 C1CO[C@H](C1)CC[*:1] O=C1OCCN1c1cccc(c1)CNC(=O)[*:1]
O=C(CC[C@H]1CCCO1)NCc1cccc(N2CCOC2=O)c1 C1CO[C@H](C1)[*:1] O=C(CC[*:1])NCc1cccc(c1)N1CCOC1=O
O=C(CC[C@H]1CCCO1)NCc1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] O=C(CC[C@H]1CCCO1)NCc1cccc(c1)[*:1]
O=C(CC[C@H]1CCCO1)NCc1cccc(N2CCOC2=O)c1 C1CO[C@H](C1)C[*:1] O=C(C[*:1])NCc1cccc(c1)N1CCOC1=O
NC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 NC(=O)[*:1] O=C1COc2cc(ccc2N1)C(=O)Nc1ccc(cc1)[*:1]
COCCNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 COC[*:1] O=C(/C=C/c1ccccc1Cl)Nc1ccc(cc1)C(=O)NC[*:1]
COCCNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 COCCNC(=O)[*:1] O=C(/C=C/c1ccccc1Cl)Nc1ccc(cc1)[*:1]
COCCNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 COCC[*:1] O=C(/C=C/c1ccccc1Cl)Nc1ccc(cc1)C(=O)N[*:1]
COCCNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 Clc1ccccc1[*:1] COCCNC(=O)c1ccc(cc1)NC(=O)C=C[*:1]
C[C@]1(C2CC2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(Cc2ccc(cc2)C(=O)N[*:1])C1=O)C1CC1
C[C@]1(C2CC2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O O=C(Nc1ccccc1)[*:1] C[C@@]1(NC(=O)N(Cc2ccc(cc2)[*:1])C1=O)C1CC1
C[C@]1(C2CC2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O C1CC1[*:1] C[C@@]1(NC(=O)N(Cc2ccc(cc2)C(=O)Nc2ccccc2)C1=O)[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccnc1OCC(F)F FC(F)CO[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccnc1[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccnc1OCC(F)F FC(F)[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccnc1OC[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccnc1OCC(F)F C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)c1cccnc1OCC(F)F
CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccnc1OCC(F)F FC(F)C[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1cccnc1O[*:1]
O=C1CCCc2c1cnc1c(C(=O)NCCN3CCOCC3)cnn21 C1CN(CCO1)[*:1] O=C1CCCc2c1cnc1c(cnn21)C(=O)NCC[*:1]
O=C1CCCc2c1cnc1c(C(=O)NCCN3CCOCC3)cnn21 C1CN(CCO1)CC[*:1] O=C1CCCc2c1cnc1c(cnn21)C(=O)N[*:1]
O=C1CCCc2c1cnc1c(C(=O)NCCN3CCOCC3)cnn21 C1CN(CCO1)C[*:1] O=C1CCCc2c1cnc1c(cnn21)C(=O)NC[*:1]
CCOc1ccc(N(Cc2ccc(C#N)cc2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 N#Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)N(C[*:1])C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1
CCOc1ccc(N(Cc2ccc(C#N)cc2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 N#Cc1ccc(cc1)C[*:1] CCOc1ccc(cc1)N(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)[*:1]
CCOc1ccc(N(Cc2ccc(C#N)cc2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 CCO[*:1] N#Cc1ccc(cc1)CN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)c1ccc(cc1)[*:1]
CCOc1ccc(N(Cc2ccc(C#N)cc2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 CCOc1ccc(cc1)[*:1] N#Cc1ccc(cc1)CN(C1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1)[*:1]
COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)o2)c1 c1cc2OCOc2cc1[*:1] COc1cc(cc(c1)-c1nnc(o1)SCC(=O)N[*:1])OC
C[C@@H](O)CCCCn1nnc2c(cnn2C)c1=O C[C@@H](O)CCC[*:1] Cn1ncc2c(=O)n(C[*:1])nnc21
C[C@@H](O)CCCCn1nnc2c(cnn2C)c1=O C[C@@H](O)C[*:1] Cn1ncc2c(=O)n(CCC[*:1])nnc21
C[C@@H](O)CCCCn1nnc2c(cnn2C)c1=O C[C@@H](O)CC[*:1] Cn1ncc2c(=O)n(CC[*:1])nnc21
C[C@@H](O)CCCCn1nnc2c(cnn2C)c1=O C[C@@H](O)[*:1] Cn1ncc2c(=O)n(CCCC[*:1])nnc21
CC1(C)C(C[NH2+]Cc2ccn(C3CCCCC3)n2)C1(C)C CC1(C)C(C1(C)C)[*:1] c1cn(nc1C[NH2+]C[*:1])C1CCCCC1
CC1(C)C(C[NH2+]Cc2ccn(C3CCCCC3)n2)C1(C)C C1CCC(CC1)[*:1] CC1(C)C(C[NH2+]Cc2ccn(n2)[*:1])C1(C)C
CCOc1ccccc1NC(=O)NCc1cccn1Cc1ccccc1F Fc1ccccc1C[*:1] CCOc1ccccc1NC(=O)NCc1cccn1[*:1]
CCOc1ccccc1NC(=O)NCc1cccn1Cc1ccccc1F CCO[*:1] O=C(NCc1cccn1Cc1ccccc1F)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)NCc1cccn1Cc1ccccc1F CCOc1ccccc1[*:1] O=C(NCc1cccn1Cc1ccccc1F)N[*:1]
CCOc1ccccc1NC(=O)NCc1cccn1Cc1ccccc1F Fc1ccccc1[*:1] CCOc1ccccc1NC(=O)NCc1cccn1C[*:1]
O=C(/C=C/c1ccc2c(c1)CCO2)NCCSCc1ccco1 c1coc(c1)[*:1] O=C(/C=C/c1ccc2OCCc2c1)NCCSC[*:1]
O=C(/C=C/c1ccc2c(c1)CCO2)NCCSCc1ccco1 c1coc(c1)C[*:1] O=C(/C=C/c1ccc2OCCc2c1)NCCS[*:1]
O=C(/C=C/c1ccc2c(c1)CCO2)NCCSCc1ccco1 c1coc(c1)CS[*:1] O=C(/C=C/c1ccc2OCCc2c1)NCC[*:1]
Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2ccc3c(NC(C)C)n[nH]c3n2)C1 Cc1cccc(C)c1[*:1] CC(C)Nc1n[nH]c2nc(ccc12)[C@H]1CCCN(C1)C(=O)CO[*:1]
Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2ccc3c(NC(C)C)n[nH]c3n2)C1 Cc1cccc(C)c1OC[*:1] CC(C)Nc1n[nH]c2nc(ccc12)[C@H]1CCCN(C1)C(=O)[*:1]
Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2ccc3c(NC(C)C)n[nH]c3n2)C1 CC(C)N[*:1] Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](C1)c1ccc2c(n[nH]c2n1)[*:1]
Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2ccc3c(NC(C)C)n[nH]c3n2)C1 CC(C)[*:1] Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](C1)c1ccc2c(n[nH]c2n1)N[*:1]
Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2ccc3c(NC(C)C)n[nH]c3n2)C1 Cc1cccc(C)c1O[*:1] CC(C)Nc1n[nH]c2nc(ccc12)[C@H]1CCCN(C1)C(=O)C[*:1]
O=C(COC(=O)[C@H]1C[C@H](c2ccccc2)NN1c1ccccc1)[C@@H]1C=CC=N1 c1ccc(cc1)[*:1] O=C(COC(=O)[C@H]1C[C@H](NN1c1ccccc1)[*:1])[C@@H]1C=CC=N1
O=C(COC(=O)[C@H]1C[C@H](c2ccccc2)NN1c1ccccc1)[C@@H]1C=CC=N1 c1ccc(cc1)[*:1] O=C(COC(=O)[C@H]1C[C@@H](NN1[*:1])c1ccccc1)[C@@H]1C=CC=N1
Cc1cn2c(CN(C)C(=O)C[C@@H](C)n3cccc3)c(C)nc2s1 c1ccn(c1)[*:1] Cc1cn2c(CN(C)C(=O)C[C@@H](C)[*:1])c(C)nc2s1
Cc1cc2c(c(-c3cncc(C(=O)N4CCCC4)n3)c1)O[C@H](C[NH3+])C2 O=C(N1CCCC1)[*:1] Cc1cc2C[C@@H](C[NH3+])Oc2c(c1)-c1cncc(n1)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccncc2)cc1 CC(C)C[*:1] COc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)O[*:1])[C@@H]2c1ccncc1
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccncc2)cc1 COc1ccc(cc1)[*:1] CC1NC2C[C@@H](CC(=O)C=2[C@H](C=1C(=O)OCC(C)C)c1ccncc1)[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccncc2)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[*:1])[C@@H]2c1ccncc1
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCC(C)C)[C@H]2[*:1]
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccncc2)cc1 CC(C)COC(=O)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)NC(C)=C([C@@H]2c1ccncc1)[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])N1CCC[C@@H]1[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc2ccccc2s1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCC[C@H]1c1nc2ccccc2s1
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc2ccccc2s1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C=C[*:1])N1CCC[C@H]1c1nc2ccccc2s1
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2Cl)c2ccccc21 COC[*:1] N#C/C(C(=O)NCC[*:1])=C1/N=C(NC(=O)c2ccccc2Cl)c2ccccc21
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2Cl)c2ccccc21 Clc1ccccc1[*:1] COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)[*:1])c2ccccc21
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2Cl)c2ccccc21 COCC[*:1] N#C/C(C(=O)NC[*:1])=C1/N=C(NC(=O)c2ccccc2Cl)c2ccccc21
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2Cl)c2ccccc21 COCCC[*:1] N#C/C(C(=O)N[*:1])=C1/N=C(NC(=O)c2ccccc2Cl)c2ccccc21
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2Cl)c2ccccc21 COCCCNC(=O)[*:1] N#CC(=C1N=C(NC(=O)c2ccccc2Cl)c2ccccc21)[*:1]
CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@](CO)(CCOc3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N1CCC[C@@](CO)(CCO[*:1])C1
CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@](CO)(CCOc3ccccc3)C2)CC1 c1ccc(cc1)OCC[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N1CCC[C@@](CO)(C1)[*:1]
CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@](CO)(CCOc3ccccc3)C2)CC1 c1ccc(cc1)OC[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N1CCC[C@](CO)(C1)C[*:1]
CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@](CO)(CCOc3ccccc3)C2)CC1 c1ccc(cc1)O[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)N1CCC[C@@](CO)(CC[*:1])C1
N/C(=N/OCC(=O)Nc1ccccc1)c1cnccn1 c1cnc(cn1)[*:1] N/C(=N/OCC(=O)Nc1ccccc1)[*:1]
N/C(=N/OCC(=O)Nc1ccccc1)c1cnccn1 c1ccc(cc1)[*:1] N/C(=N/OCC(=O)N[*:1])c1cnccn1
CN(C)c1ccccc1NC(=O)C[C@@H]1OC(=O)c2ccccc21 CN(C)[*:1] O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccccc1[*:1]
C[NH2+][C@H](CCCc1ccccc1)[C@@H]1CN(C)CCO1 c1ccc(cc1)[*:1] C[NH2+][C@H](CCC[*:1])[C@@H]1CN(C)CCO1
CC(C)c1nc(NC(=O)NCC(C)(C)c2cccs2)n(C)n1 c1csc(c1)[*:1] CC(C)c1nc(NC(=O)NCC(C)(C)[*:1])n(C)n1
CC(C)c1nc(NC(=O)NCC(C)(C)c2cccs2)n(C)n1 CC(C)[*:1] Cn1nc(nc1NC(=O)NCC(C)(C)c1cccs1)[*:1]
C[C@H](S[C@@H](C)[C@@H](C)O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl C[C@@H](O)[*:1] C[C@H](S[C@@H](C)[*:1])C(=O)Nc1cc(Cl)c(Cl)cc1Cl
CCC(CC)NC(=O)Cn1c([C@@H](C)NC(C)=O)nc2ccccc21 CC(=O)N[*:1] CCC(CC)NC(=O)Cn1c(nc2ccccc21)[C@@H](C)[*:1]
CCC(CC)NC(=O)Cn1c([C@@H](C)NC(C)=O)nc2ccccc21 CCC(CC)[*:1] CC(=O)N[C@H](C)c1nc2ccccc2n1CC(=O)N[*:1]
CCC(CC)NC(=O)Cn1c([C@@H](C)NC(C)=O)nc2ccccc21 CC(=O)N[C@H](C)[*:1] CCC(CC)NC(=O)Cn1c(nc2ccccc21)[*:1]
CCC(CC)NC(=O)Cn1c([C@@H](C)NC(C)=O)nc2ccccc21 CCC(CC)NC(=O)[*:1] CC(=O)N[C@H](C)c1nc2ccccc2n1C[*:1]
CCN(C(=O)c1c(C(F)(F)F)ccnc1NC)c1c(C)cccc1C FC(F)(F)[*:1] CCN(C(=O)c1c(ccnc1NC)[*:1])c1c(C)cccc1C
CCN(C(=O)c1c(C(F)(F)F)ccnc1NC)c1c(C)cccc1C Cc1cccc(C)c1[*:1] CCN(C(=O)c1c(ccnc1NC)C(F)(F)F)[*:1]
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccsc1 COC[C@@H](C)[*:1] N#C/C(=C/c1ccsc1)C(=O)O[*:1]
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccsc1 COC[*:1] C[C@@H](OC(=O)/C(C#N)=C\c1ccsc1)[*:1]
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccsc1 c1cc(cs1)[*:1] COC[C@@H](C)OC(=O)C(C#N)=C[*:1]
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CCC3=c4cc(Cl)ccc4=[NH+]C3)C2)c1C Cc1cccc(c1C)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CCC2C[NH+]=c3ccc(Cl)cc3=2)C1
O=C(Nc1ccccc1F)N(Cc1ccc(F)cc1F)C1CC1 C1CC1[*:1] O=C(Nc1ccccc1F)N(Cc1ccc(F)cc1F)[*:1]
O=C(Nc1ccccc1F)N(Cc1ccc(F)cc1F)C1CC1 Fc1ccccc1[*:1] O=C(N[*:1])N(Cc1ccc(F)cc1F)C1CC1
CC(=O)c1ccc(NC(=O)N[C@H](CO)c2cc(F)c(F)c(F)c2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@H](CO)c1cc(F)c(F)c(F)c1
COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)N2CCCCC2)cc1OC O=C(N1CCCCC1)[*:1] COc1cc(NC(=O)[C@H]2C[C@H]2C)c(cc1OC)[*:1]
C[C@@H](C(=O)Nc1ccccc1C(C)(C)C)[S@](=O)Cc1ccccc1F Fc1ccccc1C[*:1] C[C@@H](C(=O)Nc1ccccc1C(C)(C)C)[S@](=O)[*:1]
C[C@@H](C(=O)Nc1ccccc1C(C)(C)C)[S@](=O)Cc1ccccc1F Fc1ccccc1[*:1] C[C@@H](C(=O)Nc1ccccc1C(C)(C)C)[S@](=O)C[*:1]
C[C@@H](C(=O)Nc1ccccc1C(C)(C)C)[S@](=O)Cc1ccccc1F CC(C)(C)[*:1] C[C@@H](C(=O)Nc1ccccc1[*:1])[S@](=O)Cc1ccccc1F
C[C@H]1CN(Cc2ccccc2NCC(=O)N2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)O1 C[C@H]1CN(C[C@@H](C)O1)C[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)CNc1ccccc1[*:1]
FC(F)(F)c1ccc(C2CC[NH+](CCN3CCOCC3)CC2)cc1 C1CN(CCO1)[*:1] FC(F)(F)c1ccc(cc1)C1CC[NH+](CC1)CC[*:1]
FC(F)(F)c1ccc(C2CC[NH+](CCN3CCOCC3)CC2)cc1 C1CN(CCO1)CC[*:1] FC(F)(F)c1ccc(cc1)C1CC[NH+](CC1)[*:1]
FC(F)(F)c1ccc(C2CC[NH+](CCN3CCOCC3)CC2)cc1 FC(F)(F)[*:1] c1cc(ccc1C1CC[NH+](CC1)CCN1CCOCC1)[*:1]
FC(F)(F)c1ccc(C2CC[NH+](CCN3CCOCC3)CC2)cc1 C1CN(CCO1)C[*:1] FC(F)(F)c1ccc(cc1)C1CC[NH+](CC1)C[*:1]
CCCn1ncnc1C[C@H]([NH2+]C)[C@H]1CN(CC)CCO1 CCC[*:1] CCN1CCO[C@H](C1)[C@H](Cc1ncnn1[*:1])[NH2+]C
Cc1cccc(N2CCN(c3[nH+]c(C)cc(C)c3C#N)C[C@@H]2C)c1 Cc1cccc(c1)[*:1] Cc1cc(C)c(C#N)c([nH+]1)N1CCN([C@@H](C)C1)[*:1]
Cc1nsc(N[C@H](C)c2cc3ccccc3o2)n1 Cc1nsc(n1)[*:1] C[C@@H](N[*:1])c1cc2ccccc2o1
CCSc1ccccc1C(=O)Nc1cc(C)nn1-c1ccccc1 c1ccc(cc1)[*:1] CCSc1ccccc1C(=O)Nc1cc(C)nn1[*:1]
CCSc1ccccc1C(=O)Nc1cc(C)nn1-c1ccccc1 CCS[*:1] Cc1cc(NC(=O)c2ccccc2[*:1])n(n1)-c1ccccc1
COc1ccc([C@@H](NC(=O)N(C)[C@H](C)C2CC2)C2CCOCC2)cc1 C[C@H](C1CC1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(C)[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)N(C)[C@H](C)C2CC2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(C)[C@H](C)C1CC1)[*:1]
COc1ccc([C@@H](NC(=O)N(C)[C@H](C)C2CC2)C2CCOCC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](NC(=O)N(C)[C@H](C)[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)N(C)[C@H](C)C2CC2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@H](C1CC1)N(C)C(=O)N[C@@H](C1CCOCC1)[*:1]
Cc1cccc(N[C@H](C)C(=O)N(C)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)N[C@H](C)C(=O)N(C)C[*:1]
Cc1cccc(N[C@H](C)C(=O)N(C)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)N[C@H](C)C(=O)N(C)[*:1]
Cc1cccc(N[C@H](C)C(=O)N(C)Cc2ccccc2)c1 Cc1cccc(c1)[*:1] C[C@@H](N[*:1])C(=O)N(C)Cc1ccccc1
CCOc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1ccccc1F Fc1ccccc1C[*:1] CCOc1ccccc1NC(=O)[C@H](C)S(=O)(=O)[*:1]
CCOc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1ccccc1F CCO[*:1] C[C@@H](C(=O)Nc1ccccc1[*:1])S(=O)(=O)Cc1ccccc1F
CCOc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1ccccc1F Fc1ccccc1[*:1] CCOc1ccccc1NC(=O)[C@H](C)S(=O)(=O)C[*:1]
C=CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1cccs1 C=CC[*:1] N#CC1=C(N)Oc2c(c(=O)[nH]c3nc(N[*:1])sc23)[C@@H]1c1cccs1
C=CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1cccs1 C=CCN[*:1] N#CC1=C(N)Oc2c(c(=O)[nH]c3nc(sc23)[*:1])[C@@H]1c1cccs1
C=CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)[C@H]3c1cccs1 c1csc(c1)[*:1] C=CCNc1nc2[nH]c(=O)c3c(OC(N)=C(C#N)[C@@H]3[*:1])c2s1
Cc1csc(CN2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1 Cc1csc(C[*:1])n1 C[NH+](CCN1CCN(CC1)[*:1])Cc1ccccc1
Cc1csc(CN2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1 c1ccc(cc1)C[*:1] Cc1csc(CN2CCN(CC2)CC[NH+](C)[*:1])n1
Cc1csc(CN2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1 Cc1csc(n1)[*:1] C[NH+](CCN1CCN(CC1)C[*:1])Cc1ccccc1
Cc1csc(CN2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] Cc1csc(CN2CCN(CC2)CC[NH+](C)C[*:1])n1
O=C(c1cnc(-c2ccccc2F)s1)N1CCO[C@H]2CCC[C@H]21 Fc1ccccc1[*:1] O=C(c1cnc(s1)[*:1])N1CCO[C@H]2CCC[C@H]21
CN1C(=O)C[C@H](C(=O)[O-])c2cccc(Cl)c21 O=C([O-])[*:1] CN1C(=O)C[C@H](c2cccc(Cl)c21)[*:1]
CC(=O)Nc1nc(CC(=O)Nc2cc(C)ccc2C)cs1 CC(=O)N[*:1] Cc1ccc(C)c(c1)NC(=O)Cc1csc(n1)[*:1]
CCCCn1c(C)c(C(=O)OCC)c2cc(O)c(C)cc21 CCOC(=O)[*:1] CCCCn1c(C)c(c2cc(O)c(C)cc21)[*:1]
CCCCn1c(C)c(C(=O)OCC)c2cc(O)c(C)cc21 CCC[*:1] CCOC(=O)c1c(C)n(C[*:1])c2cc(C)c(O)cc12
CCCCn1c(C)c(C(=O)OCC)c2cc(O)c(C)cc21 CCCC[*:1] CCOC(=O)c1c(C)n(c2cc(C)c(O)cc12)[*:1]
COCCNC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 COCC[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)C(=O)N[*:1]
COCCNC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 c1csc(c1)[*:1] COCCNC(=O)c1ccc(cc1)NC(=O)C=C[*:1]
COCCNC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 COCCNC(=O)[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)[*:1]
COCCNC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 C(=C[*:1])c1cccs1 COCCNC(=O)c1ccc(cc1)NC(=O)[*:1]
COCCNC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 COC[*:1] O=C(/C=C/c1cccs1)Nc1ccc(cc1)C(=O)NC[*:1]
CCC[C@]1(C)C[NH+]=C(N)N1C CCC[*:1] CN1C(N)=[NH+]C[C@]1(C)[*:1]
Cc1cc(C(=O)N2CCC2)c(C)n1-c1cccnc1 c1cncc(c1)[*:1] Cc1cc(C(=O)N2CCC2)c(C)n1[*:1]
Cc1cc(C(=O)N2CCC2)c(C)n1-c1cccnc1 O=C(N1CCC1)[*:1] Cc1cc(c(C)n1-c1cccnc1)[*:1]
CC(C)[C@@H](C[NH2+][C@@H]1CCOC1)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)[C@@H](C[NH2+][C@@H]1CCOC1)NC(=O)O[*:1]
CC(C)[C@@H](C[NH2+][C@@H]1CCOC1)NC(=O)OC(C)(C)C CC(C)[*:1] CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCOC1)[*:1]
CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(Oc2cccnc2)nc1 C1CCC(C1)[*:1] CC[C@@H](O[*:1])C(=O)Nc1ccc(nc1)Oc1cccnc1
CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)[*:1] CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(nc1)O[*:1]
CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(Oc2cccnc2)nc1 c1cncc(c1)O[*:1] CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(nc1)[*:1]
CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(Oc2cccnc2)nc1 C1CCC(C1)O[*:1] CC[C@@H](C(=O)Nc1ccc(nc1)Oc1cccnc1)[*:1]
COc1cc(C)sc1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(CO[*:1])nc1 COc1cc(C)sc1C(=O)N[C@H](C)c1cccc(c1)[*:1]
COc1cc(C)sc1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(C[*:1])nc1 COc1cc(C)sc1C(=O)N[C@H](C)c1cccc(c1)O[*:1]
COc1cc(C)sc1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 c1ccc(nc1)[*:1] COc1cc(C)sc1C(=O)N[C@H](C)c1cccc(c1)OC[*:1]
COc1cc(C)sc1C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1 COc1cc(C)sc1[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)OCc1ccccn1
C[C@@]([NH2+]CC(=O)Nc1cccc(F)c1)(C(=O)[O-])C(F)(F)F Fc1cccc(c1)[*:1] C[C@@]([NH2+]CC(=O)N[*:1])(C(=O)[O-])C(F)(F)F
C[C@@]([NH2+]CC(=O)Nc1cccc(F)c1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@@]([NH2+]CC(=O)Nc1cccc(F)c1)(C(=O)[O-])[*:1]
N#Cc1cc(-c2cnccc2C(=O)[O-])ccc1Cl O=C([O-])[*:1] N#Cc1cc(ccc1Cl)-c1cnccc1[*:1]
O=C(NCc1ccsc1)C(O)(c1ccccc1)c1ccccc1 c1cc(cs1)C[*:1] O=C(N[*:1])C(O)(c1ccccc1)c1ccccc1
O=C(NCc1ccsc1)C(O)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccsc1)C(O)(c1ccccc1)[*:1]
O=C(NCc1ccsc1)C(O)(c1ccccc1)c1ccccc1 c1cc(cs1)[*:1] O=C(NC[*:1])C(O)(c1ccccc1)c1ccccc1
O=C([O-])C[C@H]1CN(Cc2c(F)cccc2F)CCO1 O=C([O-])C[*:1] Fc1cccc(F)c1CN1CCO[C@H](C1)[*:1]
O=C([O-])C[C@H]1CN(Cc2c(F)cccc2F)CCO1 O=C([O-])[*:1] Fc1cccc(F)c1CN1CCO[C@H](C1)C[*:1]
Cc1ccccc1Nc1ncnc2c1cnn2-c1ccc(F)cc1 Cc1ccccc1[*:1] Fc1ccc(cc1)-n1ncc2c(ncnc21)N[*:1]
Cc1ccccc1Nc1ncnc2c1cnn2-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccccc1Nc1ncnc2c1cnn2[*:1]
Cc1ccccc1Nc1ncnc2c1cnn2-c1ccc(F)cc1 Cc1ccccc1N[*:1] Fc1ccc(cc1)-n1ncc2c(ncnc21)[*:1]
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(CC1)S(=O)(=O)[*:1]
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 CC[C@@H](C)[*:1] C[C@H](C(=O)Nc1ccccc1[*:1])[NH+]1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 CC[C@@H](C)c1ccccc1[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
CC[NH2+][C@]1(C(=O)OC)CCC[C@H](OCC2CCCC2)C1 COC(=O)[*:1] CC[NH2+][C@@]1(CCC[C@@H](C1)OCC1CCCC1)[*:1]
CC[NH2+][C@]1(C(=O)OC)CCC[C@H](OCC2CCCC2)C1 C1CCC(C1)[*:1] CC[NH2+][C@@]1(CCC[C@@H](C1)OC[*:1])C(=O)OC
CC[NH2+][C@]1(C(=O)OC)CCC[C@H](OCC2CCCC2)C1 C1CCC(C1)C[*:1] CC[NH2+][C@@]1(CCC[C@@H](C1)O[*:1])C(=O)OC
C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1ccc(cn1)S(=O)(=O)N(C)C)C(=O)NC[*:1]
C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NCc1ccc(F)cc1 CN(C)S(=O)(=O)[*:1] C[C@H](Sc1ccc(cn1)[*:1])C(=O)NCc1ccc(F)cc1
C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C[C@H](Sc1ccc(cn1)S(=O)(=O)N(C)C)C(=O)N[*:1]
COc1cccc(CNC(=O)[C@]2(C)Oc3ccc(C)cc3NC2=O)c1 COc1cccc(c1)[*:1] Cc1ccc2O[C@@](C)(C(=O)NC[*:1])C(=O)Nc2c1
CN(C/C([O-])=N/S(=O)(=O)CC1CCC1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(C/C([O-])=N/S(=O)(=O)CC1CCC1)c1ccccc1[*:1]
CN(C/C([O-])=N/S(=O)(=O)CC1CCC1)c1ccccc1[N+](=O)[O-] C1CC(C1)C[*:1] CN(C/C([O-])=N/S(=O)(=O)[*:1])c1ccccc1[N+](=O)[O-]
CN(C/C([O-])=N/S(=O)(=O)CC1CCC1)c1ccccc1[N+](=O)[O-] C1CC(C1)[*:1] CN(C/C([O-])=N/S(=O)(=O)C[*:1])c1ccccc1[N+](=O)[O-]
CS[C@H]1CC[C@@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 O=[N+]([O-])[*:1] CS[C@H]1CC[C@H](C1)NC(=O)c1c(C)cc(C)c(c1C)[*:1]
CN(CC(=O)NC(C)(C)C)C(=O)CN1CCCc2cccc(F)c21 CC(C)(C)[*:1] CN(CC(=O)N[*:1])C(=O)CN1CCCc2cccc(F)c21
CN(CC(=O)NC(C)(C)C)C(=O)CN1CCCc2cccc(F)c21 CC(C)(C)NC(=O)[*:1] CN(C[*:1])C(=O)CN1CCCc2cccc(F)c21
CN(CC(=O)NC(C)(C)C)C(=O)CN1CCCc2cccc(F)c21 CC(C)(C)NC(=O)C[*:1] CN(C(=O)CN1CCCc2cccc(F)c21)[*:1]
COC(=O)c1cc(Br)cc(OC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 COC(=O)[*:1] Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cc(Br)cc(c1)[*:1]
CCNC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 CCNC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[N+](=O)[O-])N1CCC(CC1)[*:1]
CCNC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 O=[N+]([O-])[*:1] CCNC(=O)C1CCN(CC1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
Cn1ncc2c(NCc3cnc4ccccn34)nc(-c3ccncc3)nc21 c1ccn2c(cnc2c1)[*:1] Cn1ncc2c(nc(nc21)-c1ccncc1)NC[*:1]
Cn1ncc2c(NCc3cnc4ccccn34)nc(-c3ccncc3)nc21 c1cc(ccn1)[*:1] Cn1ncc2c(nc(nc21)[*:1])NCc1cnc2ccccn12
CCOc1ccc(OCC)c(/N=C2/N[C@@H](C(C)C)CS2)c1 CC(C)[*:1] CCOc1ccc(OCC)c(c1)/N=C1/N[C@@H](CS1)[*:1]
CCOc1ccc(OCC)c(/N=C2/N[C@@H](C(C)C)CS2)c1 CCO[*:1] CCOc1ccc(cc1/N=C1/N[C@H](CS1)C(C)C)[*:1]
CCOc1ccc(OCC)c(/N=C2/N[C@@H](C(C)C)CS2)c1 CCO[*:1] CCOc1ccc(c(c1)/N=C1/N[C@H](CS1)C(C)C)[*:1]
O=C(Nc1ccc2scnc2c1)c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] O=C(Nc1ccc2scnc2c1)c1cc(ccc1Cl)[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1 Brc1cncc(c1)[*:1] Cc1cccc(C)c1NC(=O)CN1CCN(CC1)C(=O)[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1 Cc1cccc(C)c1[*:1] O=C(CN1CCN(CC1)C(=O)c1cncc(Br)c1)N[*:1]
CN(C(=O)CSc1nnc2n1CCN2c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)CSc1nnc2N(CCn12)c1ccc(F)cc1)[*:1]
CN(C(=O)CSc1nnc2n1CCN2c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] CN(C(=O)CSc1nnc2N(CCn12)[*:1])c1ccccc1
CCCN(C(C)C)[C@H](C[NH3+])c1ccc(Br)c(C)c1 CC(C)[*:1] CCCN([C@H](C[NH3+])c1ccc(Br)c(C)c1)[*:1]
CCCN(C(C)C)[C@H](C[NH3+])c1ccc(Br)c(C)c1 CCC[*:1] Cc1cc(ccc1Br)[C@@H](C[NH3+])N(C(C)C)[*:1]
CCc1nncn1CCNC(=O)N[C@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nncn1CCNC(=O)N[C@H](CO)[*:1]
CCc1nncn1CCNC(=O)N[C@H](CO)c1ccc(Cl)cc1 CCc1nncn1[*:1] O=C(NCC[*:1])N[C@H](CO)c1ccc(Cl)cc1
CCCCOC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 CCCCOC(=O)[*:1] C[C@H](n1cnc2sc3C[C@H](C)CCc3c2c1=O)[*:1]
CCCCOC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 CCC[*:1] C[C@@H](C(=O)OC[*:1])n1cnc2sc3C[C@H](C)CCc3c2c1=O
CCCCOC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 CCCC[*:1] C[C@@H](C(=O)O[*:1])n1cnc2sc3C[C@H](C)CCc3c2c1=O
CNC(=O)CC1CC[NH+](Cc2ccc(-c3ccc(C)cc3)s2)CC1 CNC(=O)[*:1] Cc1ccc(cc1)-c1ccc(C[NH+]2CCC(CC2)C[*:1])s1
CNC(=O)CC1CC[NH+](Cc2ccc(-c3ccc(C)cc3)s2)CC1 Cc1ccc(cc1)[*:1] CNC(=O)CC1CC[NH+](CC1)Cc1ccc(s1)[*:1]
CNC(=O)CC1CC[NH+](Cc2ccc(-c3ccc(C)cc3)s2)CC1 CNC(=O)C[*:1] Cc1ccc(cc1)-c1ccc(C[NH+]2CCC(CC2)[*:1])s1
CC1(C)C[C@@H]1C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CC1(C)C[C@@H]1C(=O)N1CCNC(=O)[C@H]1c1ccc(cc1)[*:1]
CC1(C)C[C@@H]1C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 CC1(C)C[C@H]1[*:1] O=C1NCCN(C(=O)[*:1])[C@@H]1c1ccc(cc1)C(F)(F)F
CNC(=O)c1cccc(CS(=O)(=O)C[C@@H](O)c2ccccc2)c1 c1ccc(cc1)[*:1] CNC(=O)c1cccc(c1)CS(=O)(=O)C[C@@H](O)[*:1]
CNC(=O)c1cccc(CS(=O)(=O)C[C@@H](O)c2ccccc2)c1 CNC(=O)[*:1] O=S(=O)(Cc1cccc(c1)[*:1])C[C@@H](O)c1ccccc1
COc1ccc(CN[C@H](CSC)c2ccccc2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)CN[C@H](CSC)[*:1]
COc1ccc(CN[C@H](CSC)c2ccccc2)cc1F CSC[*:1] COc1ccc(cc1F)CN[C@H](c1ccccc1)[*:1]
O[C@@H](CSc1ccc(Cl)cc1)CN1CCN(c2ccccc2)CC1 Clc1ccc(cc1)S[*:1] O[C@H](CN1CCN(CC1)c1ccccc1)C[*:1]
O[C@@H](CSc1ccc(Cl)cc1)CN1CCN(c2ccccc2)CC1 Clc1ccc(cc1)[*:1] O[C@@H](CS[*:1])CN1CCN(CC1)c1ccccc1
O[C@@H](CSc1ccc(Cl)cc1)CN1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O[C@@H](CSc1ccc(Cl)cc1)CN1CCN(CC1)[*:1]
CC[NH2+][C@@H](c1cc(F)c(C)cc1F)C(CC)CC CCC(CC)[*:1] CC[NH2+][C@@H](c1cc(F)c(C)cc1F)[*:1]
C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccn(C)c(=O)c2)c1 c1csc(c1)C[*:1] C#Cc1cccc(c1)N(C(=O)c1ccn(C)c(=O)c1)[*:1]
C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccn(C)c(=O)c2)c1 Cn1ccc(cc1=O)[*:1] C#Cc1cccc(c1)N(Cc1cccs1)C(=O)[*:1]
C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccn(C)c(=O)c2)c1 C#Cc1cccc(c1)[*:1] Cn1ccc(cc1=O)C(=O)N(Cc1cccs1)[*:1]
C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccn(C)c(=O)c2)c1 c1csc(c1)[*:1] C#Cc1cccc(c1)N(C[*:1])C(=O)c1ccn(C)c(=O)c1
c1ccc(CN2CCO[C@H]3CN(Cc4cnc(C5CC5)s4)C[C@@H]32)cc1 c1ccc(cc1)C[*:1] c1nc(sc1CN1C[C@@H]2OCCN([C@H]2C1)[*:1])C1CC1
c1ccc(CN2CCO[C@H]3CN(Cc4cnc(C5CC5)s4)C[C@@H]32)cc1 c1nc(sc1[*:1])C1CC1 c1ccc(cc1)CN1CCO[C@H]2CN(C[C@@H]21)C[*:1]
c1ccc(CN2CCO[C@H]3CN(Cc4cnc(C5CC5)s4)C[C@@H]32)cc1 C1CC1[*:1] c1ccc(cc1)CN1CCO[C@H]2CN(Cc3cnc(s3)[*:1])C[C@@H]21
c1ccc(CN2CCO[C@H]3CN(Cc4cnc(C5CC5)s4)C[C@@H]32)cc1 c1ccc(cc1)[*:1] c1nc(sc1CN1C[C@@H]2OCCN(C[*:1])[C@H]2C1)C1CC1
Cc1cc(C)cc(-n2nnc(C(=O)OCc3ccc(Cl)cc3)c2C)c1 Clc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)-n1nnc(C(=O)OC[*:1])c1C
Cc1cc(C)cc(-n2nnc(C(=O)OCc3ccc(Cl)cc3)c2C)c1 Clc1ccc(cc1)C[*:1] Cc1cc(C)cc(c1)-n1nnc(C(=O)O[*:1])c1C
Cc1cc(C)cc(-n2nnc(C(=O)OCc3ccc(Cl)cc3)c2C)c1 Cc1cc(C)cc(c1)[*:1] Cc1c(nnn1[*:1])C(=O)OCc1ccc(Cl)cc1
O=C(C1CC1)N1CCC(C(=O)N(CC2CC2)C2CCCCC2)CC1 C1CC1[*:1] O=C(C1CCN(CC1)C(=O)[*:1])N(CC1CC1)C1CCCCC1
O=C(C1CC1)N1CCC(C(=O)N(CC2CC2)C2CCCCC2)CC1 C1CCC(CC1)[*:1] O=C(C1CC1)N1CCC(CC1)C(=O)N(CC1CC1)[*:1]
O=C(C1CC1)N1CCC(C(=O)N(CC2CC2)C2CCCCC2)CC1 C1CC1[*:1] O=C(C1CC1)N1CCC(CC1)C(=O)N(C[*:1])C1CCCCC1
O=C(C1CC1)N1CCC(C(=O)N(CC2CC2)C2CCCCC2)CC1 C1CC1C[*:1] O=C(C1CC1)N1CCC(CC1)C(=O)N(C1CCCCC1)[*:1]
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@H]3[*:1]
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1ccc(Cl)c(Cl)c1 OCC[*:1] Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N([C@@H]3c1ccc(Cl)c(Cl)c1)[*:1]
CCn1nc(C)c2[nH]c(=S)n(CCc3ccc(F)cc3)c21 Fc1ccc(cc1)[*:1] CCn1nc(C)c2[nH]c(=S)n(CC[*:1])c21
CC(C)[C@H]([NH3+])c1nnc(SC/C=C/c2ccccc2)o1 c1ccc(cc1)[*:1] CC(C)[C@H]([NH3+])c1nnc(o1)SCC=C[*:1]
CC(C)[C@H]([NH3+])c1nnc(SC/C=C/c2ccccc2)o1 CC(C)[*:1] [NH3+][C@H](c1nnc(o1)SC/C=C/c1ccccc1)[*:1]
CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 Clc1ccc(cc1)[*:1] CCc1nnc2S[C@@H](C(=O)Nc3cc(C)cc(C)c3)[C@H](Nn12)[*:1]
CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 Cc1cc(C)cc(c1)[*:1] CCc1nnc2S[C@@H](C(=O)N[*:1])[C@@H](Nn12)c1ccc(Cl)cc1
C/[NH+]=C(\NCC1(SC)CCOCC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 CSC1(CCOCC1)[*:1] C/[NH+]=C(\NC[*:1])N[C@H]1CCC[C@H](C1)C(F)(F)F
C/[NH+]=C(\NCC1(SC)CCOCC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 FC(F)(F)[*:1] C/[NH+]=C(\NCC1(CCOCC1)SC)N[C@H]1CCC[C@@H](C1)[*:1]
CCCc1nc(Cl)n(-c2ccc(Cl)cc2)n1 CCC[*:1] Clc1ccc(cc1)-n1nc(nc1Cl)[*:1]
CC1(C)C(CNc2ccc([N+](=O)[O-])cc2F)C1(C)C O=[N+]([O-])[*:1] CC1(C)C(CNc2ccc(cc2F)[*:1])C1(C)C
CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(Cl)s2)cc1 CC(=O)N[*:1] O=S(=O)(NCCc1ccc(Cl)s1)c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(Cl)s2)cc1 Clc1ccc(s1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC[*:1]
CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(Cl)s2)cc1 Clc1ccc(C[*:1])s1 CC(=O)Nc1ccc(cc1)S(=O)(=O)NC[*:1]
CCOC(=O)c1sc2ncn(Cc3ccccc3C#N)c(=O)c2c1C N#Cc1ccccc1[*:1] CCOC(=O)c1sc2ncn(C[*:1])c(=O)c2c1C
CCOC(=O)c1sc2ncn(Cc3ccccc3C#N)c(=O)c2c1C CCOC(=O)[*:1] Cc1c(sc2ncn(Cc3ccccc3C#N)c(=O)c12)[*:1]
O=C([O-])[C@]1(O)C[C@@H]2C=C[C@H]1C2 O=C([O-])[*:1] O[C@@]1(C[C@@H]2C=C[C@H]1C2)[*:1]
O=C(Nn1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O)c1cccnc1 c1cncc(c1)[*:1] O=C(Nn1ccc2c(cnc3nc(nn32)C(F)(F)F)c1=O)[*:1]
O=C(Nn1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O)c1cccnc1 FC(F)(F)[*:1] O=C(Nn1ccc2c(cnc3nc(nn32)[*:1])c1=O)c1cccnc1
CCOc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)c1cccc2[nH]ccc12
O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 O=C([O-])[*:1] O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])c1cccc(c1)[*:1]
O=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(CC1CCN(CC1)C(=O)c1cn(nc1[*:1])-c1ccccc1)N1CCCCCC1
O=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=C(c1cn(nc1-c1ccccc1)-c1ccccc1)N1CCC(CC1)C[*:1]
O=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)N1CCCCCC1 O=C(C[*:1])N1CCCCCC1 O=C(c1cn(nc1-c1ccccc1)-c1ccccc1)N1CCC(CC1)[*:1]
O=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(CC1CCN(CC1)C(=O)c1cn(nc1-c1ccccc1)[*:1])N1CCCCCC1
COCc1nc2ccccc2n1C/C(N)=N/O COC[*:1] N/C(Cn1c(nc2ccccc21)[*:1])=N\O
COCc1nc2ccccc2n1C/C(N)=N/O N/C(C[*:1])=N\O COCc1nc2ccccc2n1[*:1]
COCc1nc2ccccc2n1C/C(N)=N/O N/C(=N\O)[*:1] COCc1nc2ccccc2n1C[*:1]
NOc1ccc(C(N)=O)nn1 NC(=O)[*:1] NOc1ccc(nn1)[*:1]
Cc1ccc(NC(=O)[C@@H]2C=C(c3ccncc3)N=N2)cc1N(C)C CN(C)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@@H]1C=C(N=N1)c1ccncc1
Cc1ccc(NC(=O)[C@@H]2C=C(c3ccncc3)N=N2)cc1N(C)C c1cc(ccn1)[*:1] Cc1ccc(cc1N(C)C)NC(=O)[C@@H]1C=C(N=N1)[*:1]
C[C@@H](NC(=O)[C@@H]1CCCS1)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCS1)c1cccc(c1)[*:1]
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCNC(=O)C2CCCCC2)C1 Cc1ccccc1[*:1] C[C@H]1C[C@@H](CN1C(=O)CCNC(=O)C1CCCCC1)[*:1]
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCNC(=O)C2CCCCC2)C1 C1CCC(CC1)[*:1] Cc1ccccc1[C@H]1C[C@H](C)N(C1)C(=O)CCNC(=O)[*:1]
CCNC(=O)NC1CCC(OC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 CCNC(=O)N[*:1] O=C(OC1CCC(CC1)[*:1])c1ccc(cc1)S(=O)(=O)C(F)F
CCNC(=O)NC1CCC(OC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 O=S(=O)(C(F)F)[*:1] CCNC(=O)NC1CCC(CC1)OC(=O)c1ccc(cc1)[*:1]
CCNC(=O)NC1CCC(OC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 FC(F)[*:1] CCNC(=O)NC1CCC(CC1)OC(=O)c1ccc(cc1)S(=O)(=O)[*:1]
CC(C)c1ccc(C(=O)N2C[C@@H](C)NC(=O)c3ccc(F)cc32)cc1 CC(C)[*:1] C[C@@H]1CN(C(=O)c2ccc(cc2)[*:1])c2cc(F)ccc2C(=O)N1
Cc1noc(C)c1[C@H](C)NC(=O)N(CC1CCCCC1)C1CC1 C1CCC(CC1)C[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N(C1CC1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N(CC1CCCCC1)C1CC1 C1CC1[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N(CC1CCCCC1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N(CC1CCCCC1)C1CC1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)N(CC1CCCCC1)C1CC1)[*:1]
Cc1noc(C)c1[C@H](C)NC(=O)N(CC1CCCCC1)C1CC1 C1CCC(CC1)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)N(C[*:1])C1CC1
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)COc3ccc(C)cc3)C2)c1 CCOC(=O)[*:1] Cc1ccc(cc1)OCC(=O)N1CCC[C@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)COc3ccc(C)cc3)C2)c1 Cc1ccc(cc1)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)CO[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)COc3ccc(C)cc3)C2)c1 Cc1ccc(cc1)OC[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)COc3ccc(C)cc3)C2)c1 Cc1ccc(cc1)O[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CC(C)n1c(C2CCN(C(=O)[C@@H]3CCO[C@@H]3C)CC2)n[nH]c1=S CC(C)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC(CC1)c1n[nH]c(=S)n1[*:1]
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1ccccc1C Cc1ccccc1[*:1] CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@H]1[*:1]
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1ccccc1C CCOC(=O)[*:1] Cc1ccccc1[C@@H]1C(=C(N)Oc2[nH]nc(C)c21)[*:1]
CC(C)[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)[*:1]
CCCCCC(C)(C)CNC(=O)N1CCC(OC)CC1 CCC[*:1] COC1CCN(CC1)C(=O)NCC(C)(C)CC[*:1]
CCCCCC(C)(C)CNC(=O)N1CCC(OC)CC1 CCCC[*:1] COC1CCN(CC1)C(=O)NCC(C)(C)C[*:1]
CCCCCC(C)(C)CNC(=O)N1CCC(OC)CC1 CCCCC[*:1] COC1CCN(CC1)C(=O)NCC(C)(C)[*:1]
CC(C)c1c(N)nnn1CCOc1ccccc1Cl CC(C)[*:1] Nc1nnn(CCOc2ccccc2Cl)c1[*:1]
O=C(CNC(=O)N1CCCCC[C@@H]1c1ccco1)N1CCCCC1 c1coc(c1)[*:1] O=C(CNC(=O)N1CCCCC[C@H]1[*:1])N1CCCCC1
O=C(CNC(=O)N1CCCCC[C@@H]1c1ccco1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(NC[*:1])N1CCCCC[C@@H]1c1ccco1
CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC[C@@H](Oc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H](C1)[*:1]
CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 c1ccc(cc1)[*:1] CC[C@@H](Oc1ccc(cc1)[*:1])C(=O)N1CCC[C@@H](C1)C(=O)[O-]
CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(CCC(C)C)CCN2C1=O CC[C@H](C)[*:1] CC(C)CCN1CCN2C(=O)[C@@H](NC(=O)[C@H]2C1)[*:1]
CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(CCC(C)C)CCN2C1=O CC(C)C[*:1] CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(CCN2C1=O)C[*:1]
CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(CCC(C)C)CCN2C1=O CC(C)[*:1] CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(CCN2C1=O)CC[*:1]
CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(CCC(C)C)CCN2C1=O CC(C)CC[*:1] CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(CCN2C1=O)[*:1]
O=C(Nc1nnc(C(F)(F)F)s1)NC1CCCCCC1 FC(F)(F)[*:1] O=C(Nc1nnc(s1)[*:1])NC1CCCCCC1
CCCCc1nc2c(s1)[C@H]([NH2+]CCC)CC(C)(C)C2 CCC[*:1] CCC[NH2+][C@@H]1CC(C)(C)Cc2nc(C[*:1])sc21
CCCCc1nc2c(s1)[C@H]([NH2+]CCC)CC(C)(C)C2 CCC[*:1] CCCCc1nc2CC(C)(C)C[C@@H]([NH2+][*:1])c2s1
CCCCc1nc2c(s1)[C@H]([NH2+]CCC)CC(C)(C)C2 CCCC[*:1] CCC[NH2+][C@@H]1CC(C)(C)Cc2nc(sc21)[*:1]
C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccccc1C#N c1ccc(cc1)[*:1] C[C@H](Sc1nc2c(cnn2[*:1])c(=O)[nH]1)C(=O)Nc1ccccc1C#N
C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccccc1C#N N#Cc1ccccc1[*:1] C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)N[*:1]
COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCS(=O)CC2)cc1 O=S1CCN(CC1)[*:1] COc1ccc(cc1)[C@@H](C)[NH2+]CC(C)(C)[*:1]
CCC(C)(C)c1ccc(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] CCC(C)(C)c1ccc(cc1)C(=O)NC[C@H]1CCCN(C1)[*:1]
CCC(C)(C)c1ccc(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)cc1 CCC(C)(C)[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)c1ccc(cc1)[*:1]
CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)[C@@H]1CCCS1)C2 C1CS[C@@H](C1)[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)[*:1]
CC(C)C1=NN(c2ccncn2)C(=O)[C@H]1CC[NH3+] CC(C)[*:1] [NH3+]CC[C@@H]1C(=O)N(N=C1[*:1])c1ccncn1
CC(C)C1=NN(c2ccncn2)C(=O)[C@H]1CC[NH3+] c1cc(ncn1)[*:1] CC(C)C1=NN(C(=O)[C@H]1CC[NH3+])[*:1]
COc1ncc(Cl)c(N[C@@](C)(CO)C2CC2)n1 C1CC1[*:1] COc1ncc(Cl)c(n1)N[C@@](C)(CO)[*:1]
COc1cccc(-c2nn3c(-c4cc(CC(C)C)[nH]n4)nnc3s2)c1 CC(C)C[*:1] COc1cccc(c1)-c1nn2c(nnc2s1)-c1cc([nH]n1)[*:1]
COc1cccc(-c2nn3c(-c4cc(CC(C)C)[nH]n4)nnc3s2)c1 COc1cccc(c1)[*:1] CC(C)Cc1cc(n[nH]1)-c1nnc2sc(nn12)[*:1]
COc1cccc(-c2nn3c(-c4cc(CC(C)C)[nH]n4)nnc3s2)c1 CC(C)[*:1] COc1cccc(c1)-c1nn2c(nnc2s1)-c1cc(C[*:1])[nH]n1
CC(C)[C@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 CC(C)[*:1] C[C@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)[*:1]
CC(C)[C@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)[*:1]
CC(C)[C@H](C)[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 Clc1cccc(c1)[*:1] CC(C)[C@H](C)[NH2+]C[C@@H](N1CCOCC1)[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])c1 CN(C)S(=O)(=O)[*:1] O=C(N[C@H](CC1C[NH+]=c2ccccc2=1)C(=O)[O-])c1cc(ccc1Cl)[*:1]
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])c1 O=C([O-])[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[C@H](CC1C[NH+]=c2ccccc2=1)[*:1]
Cc1nc(-c2c[nH]c(C(=O)N[C@]3(C)CCS(=O)(=O)C3)c2)cs1 Cc1nc(cs1)[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)c1cc(c[nH]1)[*:1]
COC(=O)[C@H](C)S[C@@H](C)c1nnnn1-c1ccccc1 COC(=O)[*:1] C[C@H](S[C@@H](C)[*:1])c1nnnn1-c1ccccc1
COC(=O)[C@H](C)S[C@@H](C)c1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](C)S[C@@H](C)c1nnnn1[*:1]
COC(=O)[C@H](C)S[C@@H](C)c1nnnn1-c1ccccc1 COC(=O)[C@H](C)[*:1] C[C@H](S[*:1])c1nnnn1-c1ccccc1
C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Br)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Br)[*:1]
C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Br)c1cccnc1 Brc1ccccc1[*:1] C[C@@H](NC(=O)[C@@H]1C[C@H]1[*:1])c1cccnc1
C[C@@H](NC(=O)CCC1CCCCC1)c1cccc(N)c1 C1CCC(CC1)[*:1] C[C@@H](NC(=O)CC[*:1])c1cccc(N)c1
Cc1oc2ncnc(N3CCC[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)c2c1C FC(F)(F)[*:1] Cc1oc2ncnc(c2c1C)N1CCC[C@@H](C1)C(=O)Nc1cccc(c1)[*:1]
Cc1oc2ncnc(N3CCC[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)c2c1C FC(F)(F)c1cccc(c1)[*:1] Cc1oc2ncnc(c2c1C)N1CCC[C@@H](C1)C(=O)N[*:1]
C[S@](=O)CCCNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] C[S@](=O)CCCNC(=O)Cc1coc(n1)[*:1]
Cc1cc(CC(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)on1 Cc1cc(on1)[*:1] C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1cc(CC(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)on1 Cc1cc(C[*:1])on1 C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C1)C(=O)[*:1]
O=C([O-])CSc1nc2ncccc2[nH]1 O=C([O-])[*:1] c1cnc2nc([nH]c2c1)SC[*:1]
O=C([O-])CSc1nc2ncccc2[nH]1 O=C([O-])C[*:1] c1cnc2nc([nH]c2c1)S[*:1]
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(F)cc1OC(F)F FC(F)[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(F)cc1O[*:1]
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(F)cc1OC(F)F FC(F)O[*:1] C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(F)cc1[*:1]
C[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)c1nc[n-]n1 C1CCC(CC1)[*:1] C[C@@H](C(=O)NC[*:1])S(=O)(=O)c1nc[n-]n1
Cc1ccc(N[C@H](CC(F)(F)F)c2ccccc2)c(C)[nH+]1 FC(F)(F)[*:1] Cc1ccc(N[C@H](C[*:1])c2ccccc2)c(C)[nH+]1
Cc1ccc(N[C@H](CC(F)(F)F)c2ccccc2)c(C)[nH+]1 c1ccc(cc1)[*:1] Cc1ccc(N[C@H](CC(F)(F)F)[*:1])c(C)[nH+]1
Cc1ccc(N[C@H](CC(F)(F)F)c2ccccc2)c(C)[nH+]1 FC(F)(F)C[*:1] Cc1ccc(N[C@H](c2ccccc2)[*:1])c(C)[nH+]1
Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)sc1Br O=[N+]([O-])[*:1] Cc1cc(sc1Br)C(=O)NCc1ccc(cc1)[*:1]
CCOc1ccccc1N1CCN(C[C@H](O)c2c(F)cccc2F)CC1 CCO[*:1] O[C@@H](CN1CCN(CC1)c1ccccc1[*:1])c1c(F)cccc1F
CCOc1ccccc1N1CCN(C[C@H](O)c2c(F)cccc2F)CC1 Fc1cccc(F)c1[*:1] CCOc1ccccc1N1CCN(CC1)C[C@H](O)[*:1]
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1n1nc(-c2ccccc2)n(-c2ccccc2)c1=S c1ccc(cc1)[*:1] CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1n1nc(n(-c2ccccc2)c1=S)[*:1]
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1n1nc(-c2ccccc2)n(-c2ccccc2)c1=S CC(=O)N[*:1] OC[C@@H]1O[C@@H]([C@H]([C@H](O)[C@@H]1O)[*:1])n1nc(-c2ccccc2)n(-c2ccccc2)c1=S
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1n1nc(-c2ccccc2)n(-c2ccccc2)c1=S c1ccc(cc1)[*:1] CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1n1nc(-c2ccccc2)n(c1=S)[*:1]
COCCS(=O)(=O)[C@@H]1Cc2ccc(OC)cc2[C@@H]1N COCC[*:1] COc1ccc2C[C@H]([C@@H](N)c2c1)S(=O)(=O)[*:1]
COCCS(=O)(=O)[C@@H]1Cc2ccc(OC)cc2[C@@H]1N COC[*:1] COc1ccc2C[C@H]([C@@H](N)c2c1)S(=O)(=O)C[*:1]
CCOc1ccccc1C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 CCO[*:1] CC(=O)NCc1ccc(s1)-c1csc(n1)NC(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 CCOc1ccccc1[*:1] CC(=O)NCc1ccc(s1)-c1csc(n1)NC(=O)[*:1]
CCOc1ccccc1C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 CC(=O)N[*:1] CCOc1ccccc1C(=O)Nc1nc(cs1)-c1ccc(C[*:1])s1
CCOc1ccccc1C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 CC(=O)NC[*:1] CCOc1ccccc1C(=O)Nc1nc(cs1)-c1ccc(s1)[*:1]
COCCCn1ccc(NC(=O)N2CCC[C@@H](C(C)(C)C)CC2)n1 CC(C)(C)[*:1] COCCCn1ccc(n1)NC(=O)N1CCC[C@@H](CC1)[*:1]
COCCCn1ccc(NC(=O)N2CCC[C@@H](C(C)(C)C)CC2)n1 COCCC[*:1] CC(C)(C)[C@@H]1CCCN(CC1)C(=O)Nc1ccn(n1)[*:1]
COCCCn1ccc(NC(=O)N2CCC[C@@H](C(C)(C)C)CC2)n1 COC[*:1] CC(C)(C)[C@@H]1CCCN(CC1)C(=O)Nc1ccn(CC[*:1])n1
COCCCn1ccc(NC(=O)N2CCC[C@@H](C(C)(C)C)CC2)n1 COCC[*:1] CC(C)(C)[C@@H]1CCCN(CC1)C(=O)Nc1ccn(C[*:1])n1
Cn1cccc1C(=O)N[C@@H](c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] Cn1cccc1C(=O)N[C@@H](C(F)(F)F)[*:1]
Cn1cccc1C(=O)N[C@@H](c1ccccc1)C(F)(F)F FC(F)(F)[*:1] Cn1cccc1C(=O)N[C@@H](c1ccccc1)[*:1]
Cn1cccc1C(=O)N[C@@H](c1ccccc1)C(F)(F)F Cn1cccc1[*:1] O=C(N[C@@H](c1ccccc1)C(F)(F)F)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N(CC(=O)[O-])C(C)C O=C([O-])[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N(C[*:1])C(C)C
Cc1noc(C)c1[C@@H](C)NC(=O)N(CC(=O)[O-])C(C)C CC(C)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N(CC(=O)[O-])[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)N(CC(=O)[O-])C(C)C O=C([O-])C[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)N(C(C)C)[*:1]
COC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3cc(F)c(F)cc3[nH]2)CC1 COC(=O)[*:1] C[C@@H](Sc1nc2cc(F)c(F)cc2[nH]1)C(=O)N1CCC(CC1)[*:1]
CCN(CCC#N)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 N#CCC[*:1] CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)[*:1]
CCN(CCC#N)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 N#CC[*:1] CCN(C[*:1])C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1
C[C@H](c1ccco1)N(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 c1coc(c1)[*:1] C[C@H](N(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 c1ccc(cc1)[*:1] C[C@H](c1ccco1)N(C(=O)NC[C@H]([NH+](C)C)[*:1])C1CC1
C[C@H](c1ccco1)N(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 C[C@H](c1ccco1)[*:1] C[NH+](C)[C@H](CNC(=O)N(C1CC1)[*:1])c1ccccc1
C[C@H](c1ccco1)N(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 C1CC1[*:1] C[C@H](c1ccco1)N(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[*:1]
Cc1ccc(N)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] Cc1ccc(N)cc1S(=O)(=O)Nc1cccc(c1)[*:1]
CCN(CC)C(=O)Cn1c(CNC(=O)c2ccccc2F)nc2ccccc21 CCN(CC)C(=O)C[*:1] O=C(NCc1nc2ccccc2n1[*:1])c1ccccc1F
CCN(CC)C(=O)Cn1c(CNC(=O)c2ccccc2F)nc2ccccc21 CCN(CC)C(=O)[*:1] O=C(NCc1nc2ccccc2n1C[*:1])c1ccccc1F
CCN(CC)C(=O)Cn1c(CNC(=O)c2ccccc2F)nc2ccccc21 Fc1ccccc1[*:1] CCN(CC)C(=O)Cn1c(CNC(=O)[*:1])nc2ccccc21
COc1ccc(C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2[O-])cc1 C[C@@H](c1ccccc1)[*:1] COc1ccc(cc1)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
COc1ccc(C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2[O-])cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[C@@H](C)[*:1]
COc1ccc(C(=O)c2c(C)c(C#N)c(=O)n([C@@H](C)c3ccccc3)c2[O-])cc1 COc1ccc(cc1)[*:1] Cc1c(C(=O)[*:1])c([O-])n(c(=O)c1C#N)[C@@H](C)c1ccccc1
COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1OC(C)C CC(C)O[*:1] COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1[*:1]
COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1OC(C)C CC(C)[*:1] COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1O[*:1]
COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1OC(C)C c1ccc(cc1)C[*:1] COc1cccc(/C=C2\SC(=O)N(C2=O)[*:1])c1OC(C)C
COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1OC(C)C c1ccc(cc1)[*:1] COc1cccc(/C=C2\SC(=O)N(C[*:1])C2=O)c1OC(C)C
CSc1cccc(NC(=O)N2CCn3cccc3[C@H]2Cc2ccccc2)c1 CSc1cccc(c1)[*:1] O=C(N[*:1])N1CCn2cccc2[C@H]1Cc1ccccc1
CSc1cccc(NC(=O)N2CCn3cccc3[C@H]2Cc2ccccc2)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)N1CCn2cccc2[C@H]1C[*:1]
CSc1cccc(NC(=O)N2CCn3cccc3[C@H]2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CSc1cccc(c1)NC(=O)N1CCn2cccc2[C@@H]1[*:1]
CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccccc2I)cc1 CCC[*:1] CCCN(C(=O)c1ccc(cc1)NC(=O)c1ccccc1I)[*:1]
CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccccc2I)cc1 Ic1ccccc1[*:1] CCCN(CCC)C(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@@H]([NH2+][C@H](CO)c1ccc(Cl)cc1)c1c(F)cccc1F Clc1ccc(cc1)[*:1] C[C@@H]([NH2+][C@H](CO)[*:1])c1c(F)cccc1F
Cc1cn2c(/C=C(\C[NH2+]C(C)C)C(C)C)c(C)nc2s1 CC(C)[*:1] Cc1cn2c(/C=C(\C[NH2+][*:1])C(C)C)c(C)nc2s1
Cc1cn2c(/C=C(\C[NH2+]C(C)C)C(C)C)c(C)nc2s1 CC(C)[*:1] Cc1cn2c(/C=C(\C[NH2+]C(C)C)[*:1])c(C)nc2s1
CN(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 O=C([O-])[*:1] CN(C)S(=O)(=O)c1c[nH]c(c1)[*:1]
CCNC(=O)c1cc(N(C)C)nc2c(C)cccc12 CCNC(=O)[*:1] Cc1cccc2c(cc(nc12)N(C)C)[*:1]
CCNC(=O)c1cc(N(C)C)nc2c(C)cccc12 CN(C)[*:1] CCNC(=O)c1cc(nc2c(C)cccc12)[*:1]
C[C@H](C(=O)NC[C@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1F c1cnc(nc1)[*:1] C[C@H](C(=O)NC[C@H]1CCCN(C1)[*:1])c1c(F)cccc1F
C[C@H](C(=O)NC[C@H]1CCCN(c2ncccn2)C1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@H](C(=O)NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
O=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3ccco3)o2)CC1 c1coc(c1)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=O)c1ccc(o1)[*:1]
O=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3ccco3)o2)CC1 c1coc(c1)[*:1] O=C(c1ccc(o1)-c1ccco1)N1CCN(CC1)C(=O)[*:1]
COC1CCC(CC(=O)NNc2ncccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] COC1CCC(CC1)CC(=O)NNc1ncccc1[*:1]
CC(C)c1ccc(S(=O)(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 FC(F)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccc(cc1)O[*:1]
CC(C)c1ccc(S(=O)(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 FC(F)O[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccc(cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 CC(C)[*:1] CN(Cc1ccc(cc1)OC(F)F)S(=O)(=O)c1ccc(cc1)[*:1]
O=C1CN(c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]2N1 O=[N+]([O-])[*:1] O=C1CN(c2ccc(cc2)[*:1])[C@H]2CCCC[C@@H]2N1
CCc1ccccc1N/C(=N\C(=O)c1ccc(C)c(C)c1)NC[C@H]1CCCO1 Cc1ccc(cc1C)[*:1] CCc1ccccc1N/C(=N\C(=O)[*:1])NC[C@H]1CCCO1
CCc1ccccc1N/C(=N\C(=O)c1ccc(C)c(C)c1)NC[C@H]1CCCO1 CCc1ccccc1[*:1] Cc1ccc(cc1C)C(=O)/N=C(/NC[C@H]1CCCO1)N[*:1]
O=C1C(=O)N(CC[NH2+]C2CC2)c2c(F)cccc21 C1CC1[*:1] O=C1C(=O)N(CC[NH2+][*:1])c2c(F)cccc21
CCS[C@H](C)C(=O)Nc1c(F)cccc1F CCS[C@H](C)[*:1] O=C(Nc1c(F)cccc1F)[*:1]
CCS[C@H](C)C(=O)Nc1c(F)cccc1F CCS[*:1] C[C@H](C(=O)Nc1c(F)cccc1F)[*:1]
CC[C@@H](C)n1ncc(C(=O)NCc2ccccc2)c1C1CC1 c1ccc(cc1)C[*:1] CC[C@@H](C)n1ncc(C(=O)N[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NCc2ccccc2)c1C1CC1 c1ccc(cc1)[*:1] CC[C@@H](C)n1ncc(C(=O)NC[*:1])c1C1CC1
CC[C@@H](C)n1ncc(C(=O)NCc2ccccc2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)NCc2ccccc2)c1[*:1]
O=C(COc1cccc(F)c1)N1CCC(c2n[nH]c3nccnc23)CC1 Fc1cccc(c1)O[*:1] O=C(C[*:1])N1CCC(CC1)c1n[nH]c2nccnc12
O=C(COc1cccc(F)c1)N1CCC(c2n[nH]c3nccnc23)CC1 Fc1cccc(c1)[*:1] O=C(CO[*:1])N1CCC(CC1)c1n[nH]c2nccnc12
CCc1ccc(Nc2ncnc(NNS(=O)(=O)c3ccc(C)cc3)c2N)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)Nc1ncnc(NNS(=O)(=O)[*:1])c1N
CCc1ccc(Nc2ncnc(NNS(=O)(=O)c3ccc(C)cc3)c2N)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)NNc1ncnc(N[*:1])c1N
CCc1ccc(Nc2ncnc(NNS(=O)(=O)c3ccc(C)cc3)c2N)cc1 CCc1ccc(cc1)N[*:1] Cc1ccc(cc1)S(=O)(=O)NNc1ncnc(c1N)[*:1]
COc1cc(NC(=O)c2ccco2)c(C(=O)NCc2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1cc(NC(=O)c2ccco2)c(cc1OC)C(=O)NC[*:1]
COc1cc(NC(=O)c2ccco2)c(C(=O)NCc2ccc(F)cc2)cc1OC O=C(N[*:1])c1ccco1 COc1cc(C(=O)NCc2ccc(F)cc2)c(cc1OC)[*:1]
COc1cc(NC(=O)c2ccco2)c(C(=O)NCc2ccc(F)cc2)cc1OC Fc1ccc(cc1)C[*:1] COc1cc(NC(=O)c2ccco2)c(cc1OC)C(=O)N[*:1]
COc1cc(NC(=O)c2ccco2)c(C(=O)NCc2ccc(F)cc2)cc1OC c1coc(c1)[*:1] COc1cc(NC(=O)[*:1])c(cc1OC)C(=O)NCc1ccc(F)cc1
CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 FC(F)(F)[*:1] CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Nc1cc(ccc1N1CCCC1)[*:1]
CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 CS(=O)(=O)N[*:1] O=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)N1CCCC[C@@H]1C[*:1]
CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 CS(=O)(=O)NC[*:1] O=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)N1CCCC[C@@H]1[*:1]
CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 C1CCN(C1)[*:1] CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
O=C1O[C@H](Nc2nnc(SCc3ccccc3)s2)c2ccccc21 c1ccc(cc1)C[*:1] O=C1O[C@H](Nc2nnc(S[*:1])s2)c2ccccc21
O=C1O[C@H](Nc2nnc(SCc3ccccc3)s2)c2ccccc21 c1ccc(cc1)CS[*:1] O=C1O[C@H](Nc2nnc(s2)[*:1])c2ccccc21
O=C1O[C@H](Nc2nnc(SCc3ccccc3)s2)c2ccccc21 c1ccc(cc1)[*:1] O=C1O[C@H](Nc2nnc(SC[*:1])s2)c2ccccc21
O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)Nc1nc2ccc(F)cc2s1 Fc1ccc2nc(sc2c1)[*:1] O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N[*:1]
Cn1cc(Cl)c(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n1 Cn1cc(Cl)c(n1)[*:1] O=C([O-])c1ccc(cc1)[C@H]1CCCN(C1)C(=O)[*:1]
Cn1cc(Cl)c(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n1 O=C([O-])[*:1] Cn1cc(Cl)c(n1)C(=O)N1CCC[C@@H](C1)c1ccc(cc1)[*:1]
O=C(Nc1cccnc1N1CCCC1)[C@@H]1CC=CCC1 C1CCN(C1)[*:1] O=C(Nc1cccnc1[*:1])[C@@H]1CC=CCC1
CC(C)(C(=O)N1CCN(CCCSCC#N)CC1)c1ccccc1 N#CCSCCC[*:1] CC(C)(C(=O)N1CCN(CC1)[*:1])c1ccccc1
CC(C)(C(=O)N1CCN(CCCSCC#N)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C(=O)N1CCN(CCCSCC#N)CC1)[*:1]
CC(C)(C(=O)N1CCN(CCCSCC#N)CC1)c1ccccc1 N#CC[*:1] CC(C)(C(=O)N1CCN(CCCS[*:1])CC1)c1ccccc1
CC(C)(C(=O)N1CCN(CCCSCC#N)CC1)c1ccccc1 N#CCSCC[*:1] CC(C)(C(=O)N1CCN(CC1)C[*:1])c1ccccc1
CC(C)(C(=O)N1CCN(CCCSCC#N)CC1)c1ccccc1 N#CCSC[*:1] CC(C)(C(=O)N1CCN(CC1)CC[*:1])c1ccccc1
CC(C)(C(=O)N1CCN(CCCSCC#N)CC1)c1ccccc1 N#CCS[*:1] CC(C)(C(=O)N1CCN(CCC[*:1])CC1)c1ccccc1
O=C(Nc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)C(=O)CO2)c1ccccc1 c1ccc(cc1)[*:1] O=C1COc2ccc(cc2CN1Cc1ccc(Cl)cc1)NC(=O)[*:1]
O=C(Nc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)C(=O)CO2)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C1COc2ccc(cc2CN1Cc1ccc(Cl)cc1)[*:1]
O=C(Nc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)C(=O)CO2)c1ccccc1 Clc1ccc(cc1)C[*:1] O=C(Nc1ccc2OCC(=O)N(Cc2c1)[*:1])c1ccccc1
O=C(Nc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)C(=O)CO2)c1ccccc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2OCC(=O)N(Cc2c1)C[*:1])c1ccccc1
O=C([O-])c1cc(Br)cc2c1OCC2 O=C([O-])[*:1] Brc1cc2CCOc2c(c1)[*:1]
CN(C)C(=O)c1ccccc1-c1cccc(O)c1 CN(C)C(=O)[*:1] Oc1cccc(c1)-c1ccccc1[*:1]
C[C@@H](OC(=O)c1cccc(=O)n1C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](OC(=O)c1cccc(=O)n1C)[*:1]
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC[NH2+]CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CC[NH2+]CC1)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC[NH2+]CC2)cc1 CC(C)CNC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CC[NH2+]CC1)[*:1]
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC[NH2+]CC2)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CC[NH2+]CC1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC(C)C)ccc2N2CC[NH2+]CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)CNC(=O)c1ccc(c(c1)NS(=O)(=O)[*:1])N1CC[NH2+]CC1
O=C(NCc1ccc(Cl)cc1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])c1ccc(cc1)Oc1nccnc1N1CCOCC1
O=C(NCc1ccc(Cl)cc1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 Clc1ccc(cc1)C[*:1] O=C(N[*:1])c1ccc(cc1)Oc1nccnc1N1CCOCC1
O=C(NCc1ccc(Cl)cc1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(NCc1ccc(Cl)cc1)c1ccc(cc1)Oc1nccnc1[*:1]
CCSCCC(=O)NNc1c(C)cc(C)cc1C CCSC[*:1] Cc1cc(C)c(NNC(=O)C[*:1])c(C)c1
CCSCCC(=O)NNc1c(C)cc(C)cc1C CCS[*:1] Cc1cc(C)c(NNC(=O)CC[*:1])c(C)c1
CCSCCC(=O)NNc1c(C)cc(C)cc1C CCSCC[*:1] Cc1cc(C)c(NNC(=O)[*:1])c(C)c1
O=[S@@](Cc1ccc(Cl)nc1)Cc1coc(-c2ccc(F)cc2)n1 Clc1ccc(cn1)[*:1] O=[S@](Cc1coc(n1)-c1ccc(F)cc1)C[*:1]
O=[S@@](Cc1ccc(Cl)nc1)Cc1coc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] O=[S@@](Cc1ccc(Cl)nc1)Cc1coc(n1)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)c1ncnc2c1c(Br)nn2C Fc1ccc(cc1)C[*:1] CC(C)[C@@H](N(C)c1ncnc2c1c(Br)nn2C)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)c1ncnc2c1c(Br)nn2C CC(C)[*:1] CN(c1ncnc2c1c(Br)nn2C)[C@H](Cc1ccc(F)cc1)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)N(C)c1ncnc2c1c(Br)nn2C Fc1ccc(cc1)[*:1] CC(C)[C@@H](C[*:1])N(C)c1ncnc2c1c(Br)nn2C
COc1ccc([C@@H](O)[C@H](C)N[C@@H](C)c2cnc(C)s2)cc1 Cc1ncc(s1)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)N[C@@H](C)[*:1]
C#CCn1cc(CN(C)C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)cn1 c1ccc(cc1)[*:1] C#CCn1cc(cn1)CN(C)C(=O)c1sc(nc1C)C(C)(C)[*:1]
C#CCn1cc(CN(C)C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)cn1 CC(C)(c1ccccc1)[*:1] C#CCn1cc(cn1)CN(C)C(=O)c1sc(nc1C)[*:1]
C#CCn1cc(CN(C)C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)cn1 C#CCn1cc(cn1)C[*:1] Cc1nc(sc1C(=O)N(C)[*:1])C(C)(C)c1ccccc1
C#CCn1cc(CN(C)C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)cn1 C#CC[*:1] Cc1nc(sc1C(=O)N(C)Cc1cnn(c1)[*:1])C(C)(C)c1ccccc1
C#CCn1cc(CN(C)C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)cn1 C#CCn1cc(cn1)[*:1] Cc1nc(sc1C(=O)N(C)C[*:1])C(C)(C)c1ccccc1
CC(=O)Cc1nsc(NC(=O)c2ccccc2Br)n1 CC(=O)[*:1] O=C(Nc1nc(C[*:1])ns1)c1ccccc1Br
CC(=O)Cc1nsc(NC(=O)c2ccccc2Br)n1 CC(=O)C[*:1] O=C(Nc1nc(ns1)[*:1])c1ccccc1Br
O=C(Nc1cccc(N2CCCCC2)c1)N1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)N1CCCCC1)N1CCN(CC1)C(=O)[*:1]
O=C(Nc1cccc(N2CCCCC2)c1)N1CCN(C(=O)c2ccco2)CC1 C1CCN(CC1)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCN(CC1)C(=O)c1ccco1
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 c1coc(c1)[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2CCCCc2c1C(=O)NC[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 C[C@@H](Oc1ccc(F)cc1)[*:1] O=C(NCc1ccco1)c1c(NC(=O)[*:1])sc2CCCCc21
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 Fc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1sc2CCCCc2c1C(=O)NCc1ccco1
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 Fc1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1sc2CCCCc2c1C(=O)NCc1ccco1)[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 O=C(NCc1ccco1)[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2CCCCc2c1[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 c1coc(c1)C[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2CCCCc2c1C(=O)N[*:1]
Cc1nc([C@H]2CCC[NH2+]2)cc(N2CCCC2)n1 C1CCN(C1)[*:1] Cc1nc(cc(n1)[*:1])[C@H]1CCC[NH2+]1
C[C@@H](NC(=O)N1CCC[C@H]1CO)c1noc(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCC[C@H]1CO)c1noc(n1)[*:1]
Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2N)c1 FC(F)(F)[*:1] Cc1cccc(c1)-c1nnc(SCC(=O)Nc2cccc(c2)[*:1])n1N
Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2N)c1 Cc1cccc(c1)[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1cccc(c1)C(F)(F)F
C[NH+](C)CC(=O)N1CCN(C(=O)CCCSc2ccccc2)CC1 c1ccc(cc1)[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)CCCS[*:1]
C[NH+](C)CC(=O)N1CCN(C(=O)CCCSc2ccccc2)CC1 c1ccc(cc1)S[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)CCC[*:1]
C[NH+](C)CC(=O)N1CCN(C(=O)CCCSc2ccccc2)CC1 c1ccc(cc1)SC[*:1] C[NH+](C)CC(=O)N1CCN(CC1)C(=O)CC[*:1]
CCN(CC)C(=O)c1cc(-c2cnc(C(C)(C)C)nc2)nc2cc(C)ccc12 CC(C)(C)[*:1] CCN(CC)C(=O)c1cc(nc2cc(C)ccc12)-c1cnc(nc1)[*:1]
CCN(CC)C(=O)c1cc(-c2cnc(C(C)(C)C)nc2)nc2cc(C)ccc12 CCN(CC)C(=O)[*:1] Cc1ccc2c(cc(nc2c1)-c1cnc(nc1)C(C)(C)C)[*:1]
CCCC(=O)Nc1cccc(NC(=O)NCCC(N)=O)c1C NC(=O)C[*:1] CCCC(=O)Nc1cccc(NC(=O)NC[*:1])c1C
CCCC(=O)Nc1cccc(NC(=O)NCCC(N)=O)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)NCCC(N)=O
CCCC(=O)Nc1cccc(NC(=O)NCCC(N)=O)c1C NC(=O)[*:1] CCCC(=O)Nc1cccc(NC(=O)NCC[*:1])c1C
CCCC(=O)Nc1cccc(NC(=O)NCCC(N)=O)c1C CCC[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)NCCC(N)=O
CCCC(=O)Nc1cccc(NC(=O)NCCC(N)=O)c1C NC(=O)CC[*:1] CCCC(=O)Nc1cccc(NC(=O)N[*:1])c1C
CCc1cc(CNC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)on1 CCc1cc(C[*:1])on1 O=C(N[*:1])N(C1CC1)[C@H]1CCCc2ccccc21
CCc1cc(CNC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)on1 C1CC1[*:1] CCc1cc(CNC(=O)N([C@H]2CCCc3ccccc32)[*:1])on1
CCc1cc(CNC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)on1 CCc1cc(on1)[*:1] O=C(NC[*:1])N(C1CC1)[C@H]1CCCc2ccccc21
O=C([O-])[C@H]1CS[C@H](c2cc(F)ccc2F)N1 O=C([O-])[*:1] Fc1ccc(F)c(c1)[C@@H]1N[C@H](CS1)[*:1]
CS(=O)(=O)N1CCC(C(=O)OCc2ccc(-n3cccn3)cc2)CC1 c1cnn(c1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)OCc1ccc(cc1)[*:1]
CCc1nc(Oc2ccc(C(=O)[O-])cc2)cc(C(C)C)n1 CC(C)[*:1] CCc1nc(cc(n1)[*:1])Oc1ccc(cc1)C(=O)[O-]
CCc1nc(Oc2ccc(C(=O)[O-])cc2)cc(C(C)C)n1 O=C([O-])[*:1] CCc1nc(cc(n1)C(C)C)Oc1ccc(cc1)[*:1]
CSC[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 CSC[*:1] C[C@@H](NC(=O)NCc1ccc(cc1)C[NH+]1CCCCC1)[*:1]
CSC[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 CSC[C@@H](C)[*:1] O=C(NCc1ccc(cc1)C[NH+]1CCCCC1)N[*:1]
COC(=O)CCNC(=O)C(=O)Nc1ccc(C)cc1F COC(=O)[*:1] Cc1ccc(NC(=O)C(=O)NCC[*:1])c(F)c1
COC(=O)CCNC(=O)C(=O)Nc1ccc(C)cc1F COC(=O)C[*:1] Cc1ccc(NC(=O)C(=O)NC[*:1])c(F)c1
COC(=O)CCNC(=O)C(=O)Nc1ccc(C)cc1F COC(=O)CC[*:1] Cc1ccc(NC(=O)C(=O)N[*:1])c(F)c1
CC(C)Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cl)cn1 CC(C)[*:1] C[C@@H](Nc1ccc(nc1)O[*:1])C(=O)Nc1ccccc1Cl
CC(C)Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cl)cn1 Clc1ccccc1[*:1] CC(C)Oc1ccc(cn1)N[C@H](C)C(=O)N[*:1]
CC(C)Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cl)cn1 CC(C)O[*:1] C[C@@H](Nc1ccc(nc1)[*:1])C(=O)Nc1ccccc1Cl
Cc1cc(F)c(C(=O)[O-])cc1F O=C([O-])[*:1] Cc1cc(F)c(cc1F)[*:1]
CCS(=O)(=O)NCCNC(=O)Nc1nc(-c2ccccc2)cs1 CCS(=O)(=O)NC[*:1] O=C(NC[*:1])Nc1nc(cs1)-c1ccccc1
CCS(=O)(=O)NCCNC(=O)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] CCS(=O)(=O)NCCNC(=O)Nc1nc(cs1)[*:1]
CCS(=O)(=O)NCCNC(=O)Nc1nc(-c2ccccc2)cs1 CCS(=O)(=O)N[*:1] O=C(NCC[*:1])Nc1nc(cs1)-c1ccccc1
CNC(=O)c1ccc(/C=C/C(=O)N2c3ccccc3C[C@H]2C(=O)OC)cc1 COC(=O)[*:1] CNC(=O)c1ccc(/C=C/C(=O)N2c3ccccc3C[C@@H]2[*:1])cc1
CNC(=O)c1ccc(/C=C/C(=O)N2c3ccccc3C[C@H]2C(=O)OC)cc1 CNC(=O)[*:1] COC(=O)[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1ccc(cc1)[*:1]
CCNC(=O)c1cccc(NC(=O)N[C@H]2CCCn3nc(CC)nc32)c1 CCNC(=O)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)Nc1cccc(c1)[*:1]
CN(CC1CCCCC1)C(=O)c1cn(C2C[NH2+]C2)nn1 C1CCC(CC1)[*:1] CN(C[*:1])C(=O)c1cn(nn1)C1C[NH2+]C1
CC(=O)c1ccc(CC(N)=O)s1 CC(=O)[*:1] NC(=O)Cc1ccc(s1)[*:1]
CC(=O)c1ccc(CC(N)=O)s1 NC(=O)[*:1] CC(=O)c1ccc(C[*:1])s1
CC(=O)c1ccc(CC(N)=O)s1 NC(=O)C[*:1] CC(=O)c1ccc(s1)[*:1]
CCCN(CCC)c1nc(C)nc2nc(Cl)[nH]c12 CCC[*:1] CCCN(c1nc(C)nc2nc(Cl)[nH]c12)[*:1]
[NH3+][C@@H](C1CCCCC1)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] [NH3+][C@@H](C1CCCCC1)C1(CCCC1)[*:1]
[NH3+][C@@H](C1CCCCC1)C1(N2CCOCC2)CCCC1 C1CCC(CC1)[*:1] [NH3+][C@@H](C1(CCCC1)N1CCOCC1)[*:1]
O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1cncn1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)c1cncn1[*:1]
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)CCc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)CCc1cnn(c1)[*:1]
COc1ccc2cc(COC(=O)[C@@H]3CCCN3C(=O)c3ccco3)ccc2c1 c1coc(c1)[*:1] COc1ccc2cc(ccc2c1)COC(=O)[C@@H]1CCCN1C(=O)[*:1]
CC[C@H](CNC(=O)c1ccc(=O)n(C)c1)Oc1cccc(C(F)(F)F)c1 Cn1cc(ccc1=O)[*:1] CC[C@H](CNC(=O)[*:1])Oc1cccc(c1)C(F)(F)F
CC[C@H](CNC(=O)c1ccc(=O)n(C)c1)Oc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](CNC(=O)c1ccc(=O)n(C)c1)Oc1cccc(c1)[*:1]
O=C(N[C@H](c1cccs1)C1CCCC1)c1ccc2c(c1)OCO2 c1csc(c1)[*:1] O=C(N[C@H](C1CCCC1)[*:1])c1ccc2OCOc2c1
O=C(N[C@H](c1cccs1)C1CCCC1)c1ccc2c(c1)OCO2 C1CCC(C1)[*:1] O=C(N[C@H](c1cccs1)[*:1])c1ccc2OCOc2c1
C[C@H](CCCO)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 OCCC[*:1] C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H](C)[*:1]
C[C@H](CCCO)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 OCC[*:1] C[C@H](C[*:1])NC(=O)N(C)[C@H](C)c1ccc(F)cc1
C[C@H](CCCO)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 C[C@H](CCCO)[*:1] C[C@H](c1ccc(F)cc1)N(C)C(=O)N[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1OCCCO2 CC[S@](=O)[*:1] c1cc(C[NH2+][C@H]2CCCC[C@@H]2[*:1])c2OCCCOc2c1
CN(C(=O)CCn1c(=O)oc2ccccc21)C1(C#N)CCC1 N#CC1(CCC1)[*:1] CN(C(=O)CCn1c(=O)oc2ccccc21)[*:1]
C[NH+](C)CCCNc1cc(C#N)c(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[NH+](C)CCCNc1cc(C#N)c(C#N)cc1[*:1]
O=C(NCc1ccsc1)NC[C@@H](O)c1ccco1 c1cc(cs1)C[*:1] O=C(NC[C@@H](O)c1ccco1)N[*:1]
O=C(NCc1ccsc1)NC[C@@H](O)c1ccco1 c1cc(cs1)[*:1] O=C(NC[C@@H](O)c1ccco1)NC[*:1]
O=C(NCc1ccsc1)NC[C@@H](O)c1ccco1 c1coc(c1)[*:1] O=C(NCc1ccsc1)NC[C@@H](O)[*:1]
COC[C@H](N)c1ccncn1 COC[*:1] N[C@H](c1ccncn1)[*:1]
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccc2ccccc2c1 c1ccc(cc1)[*:1] O=C1NC[C@@H]([C@@H]1C(=O)N/N=C/c1ccc2ccccc2c1)[*:1]
O=C(Nc1ccc(Cl)cc1)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(Nc1ccc(Cl)cc1)NC(C1CC1)[*:1]
CCCCN(C(=O)COc1ccc(Cl)c(C)c1)[C@@H]1CCS(=O)(=O)C1 Cc1cc(ccc1Cl)[*:1] CCCCN(C(=O)CO[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)COc1ccc(Cl)c(C)c1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1cc(ccc1Cl)OCC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)COc1ccc(Cl)c(C)c1)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] Cc1cc(ccc1Cl)OCC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1c(Cl)cccc1NCC(=O)N/N=C/c1ccco1 c1coc(c1)[*:1] Cc1c(Cl)cccc1NCC(=O)NN=C[*:1]
CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-] c1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CCC[C@@]1(C(=O)[O-])[*:1]
CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-] CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@]1(Cc1ccccc1)C(=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@]1(C[*:1])C(=O)[O-]
CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccccc1)[*:1]
CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 CC(=O)N[*:1] O=C(NC[C@H]1CCCO1)c1ccccc1[*:1]
CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(=O)Nc1ccccc1C(=O)NC[*:1]
CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC(=O)Nc1ccccc1C(=O)N[*:1]
Cc1c(/C([O-])=N/S(=O)(=O)c2ccc(OC(C)C)cc2)cnn1C CC(C)[*:1] Cc1c(cnn1C)/C([O-])=N/S(=O)(=O)c1ccc(cc1)O[*:1]
Cc1c(/C([O-])=N/S(=O)(=O)c2ccc(OC(C)C)cc2)cnn1C Cc1c(cnn1C)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)/N=C(\[O-])[*:1]
Cc1c(/C([O-])=N/S(=O)(=O)c2ccc(OC(C)C)cc2)cnn1C CC(C)O[*:1] Cc1c(cnn1C)/C([O-])=N/S(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c(C)n1 Cc1ccc(c(C)n1)[*:1] O=C(c1ccccc1F)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c(C)n1 Fc1ccccc1[*:1] Cc1ccc(C(=O)N2CCN(CC2)C(=O)[*:1])c(C)n1
Cc1cc(=O)[nH]c(-c2ccc(NCCC[NH+]3CCCCC3)nc2)n1 Cc1cc(=O)[nH]c(n1)[*:1] c1cc(ncc1[*:1])NCCC[NH+]1CCCCC1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(COC(=O)C1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccccc3)CC2)cc1 O=C(C[*:1])c1ccccc1 Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)O[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccccc3)CC2)cc1 O=C(c1ccccc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)OC[*:1]
CCO[C@H](C)c1nc(CN(C)C(=O)[C@@H]2CCCN2C(=O)C2CC2)cs1 CCO[C@H](C)[*:1] CN(Cc1csc(n1)[*:1])C(=O)[C@@H]1CCCN1C(=O)C1CC1
CCO[C@H](C)c1nc(CN(C)C(=O)[C@@H]2CCCN2C(=O)C2CC2)cs1 CCO[*:1] C[C@H](c1nc(cs1)CN(C)C(=O)[C@@H]1CCCN1C(=O)C1CC1)[*:1]
CCO[C@H](C)c1nc(CN(C)C(=O)[C@@H]2CCCN2C(=O)C2CC2)cs1 C1CC1[*:1] CCO[C@H](C)c1nc(cs1)CN(C)C(=O)[C@@H]1CCCN1C(=O)[*:1]
Cc1ccc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCC[NH+]4CCCCCC4)c(=O)c32)c1 Cc1ccc(C)c(c1)[*:1] O=C(Cn1ncc2c3ccccc3n(C[*:1])c2c1=O)NCC[NH+]1CCCCCC1
Cc1ccc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCC[NH+]4CCCCCC4)c(=O)c32)c1 Cc1ccc(C)c(c1)C[*:1] O=C(Cn1ncc2c3ccccc3n(c2c1=O)[*:1])NCC[NH+]1CCCCCC1
Cc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)N1C(=O)c2cccc(c2C1=O)[*:1]
Cc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1c2cccc(c2C(=O)N1[*:1])[N+](=O)[O-]
O=C1CC[C@@H](C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)N1 C1CCC(C1)[*:1] O=C1CC[C@H](N1)C(=O)Nc1ccc(O[*:1])c(Cl)c1
O=C1CC[C@@H](C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)N1 C1CCC(C1)O[*:1] O=C1CC[C@H](N1)C(=O)Nc1ccc(c(Cl)c1)[*:1]
COCc1cc(=O)[nH]c2cc(NC(=O)CCc3ccccc3)ccc12 c1ccc(cc1)CC[*:1] COCc1cc(=O)[nH]c2cc(ccc12)NC(=O)[*:1]
COCc1cc(=O)[nH]c2cc(NC(=O)CCc3ccccc3)ccc12 c1ccc(cc1)C[*:1] COCc1cc(=O)[nH]c2cc(ccc12)NC(=O)C[*:1]
COCc1cc(=O)[nH]c2cc(NC(=O)CCc3ccccc3)ccc12 COC[*:1] O=C(CCc1ccccc1)Nc1ccc2c(cc(=O)[nH]c2c1)[*:1]
COCc1cc(=O)[nH]c2cc(NC(=O)CCc3ccccc3)ccc12 c1ccc(cc1)[*:1] COCc1cc(=O)[nH]c2cc(ccc12)NC(=O)CC[*:1]
CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O CCO[*:1] O=C1N/C(=C\c2c(ccc3ccccc23)[*:1])C(=O)N1Cc1ccc(F)cc1
CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)C[*:1] CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(C1=O)[*:1]
CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O Fc1ccc(cc1)[*:1] CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(C[*:1])C1=O
Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)NCCC(C)C)CC3)cc1 CC(C)CC[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)NCCC(C)C)CC3)cc1 Cc1ccc(cc1)[*:1] CC(C)CCNC(=O)C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)NCCC(C)C)CC3)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)NCCC(C)C)CC3)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)C(=O)NCC[*:1]
CNC(=O)c1ccc(NC(=O)c2ccc(Cl)nc2)c(C)c1 Clc1ccc(cn1)[*:1] CNC(=O)c1ccc(NC(=O)[*:1])c(C)c1
CNC(=O)c1ccc(NC(=O)c2ccc(Cl)nc2)c(C)c1 CNC(=O)[*:1] Cc1cc(ccc1NC(=O)c1ccc(Cl)nc1)[*:1]
O=C(CC1CCC1)NCCOc1cccc2ccccc12 C1CC(C1)[*:1] O=C(C[*:1])NCCOc1cccc2ccccc12
O=C(CC1CCC1)NCCOc1cccc2ccccc12 C1CC(C1)C[*:1] O=C(NCCOc1cccc2ccccc12)[*:1]
CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
CCc1ccc(NC(=O)NCC(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)NC(=O)NCC(=O)N[*:1]
O=C1CN(C(=O)NCC(c2ccccc2)c2ccccc2)CCN1 c1ccc(cc1)[*:1] O=C1CN(CCN1)C(=O)NCC(c1ccccc1)[*:1]
CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)C[*:1] CN(C(=O)[C@H]1CC(=O)N(C1)c1ccccc1)[*:1]
CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(C1)c1ccccc1
CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
Cn1c(Cl)cnc1COC(=O)c1cc(Cl)c2c(c1)OCCO2 Cn1c(Cl)cnc1[*:1] O=C(OC[*:1])c1cc(Cl)c2OCCOc2c1
CCc1csc(CNC(=O)c2cnc(C(C)C)[nH]c2=O)n1 CCc1csc(n1)[*:1] CC(C)c1ncc(C(=O)NC[*:1])c(=O)[nH]1
CCc1csc(CNC(=O)c2cnc(C(C)C)[nH]c2=O)n1 CC(C)[*:1] CCc1csc(CNC(=O)c2cnc([nH]c2=O)[*:1])n1
C[C@@](O)(CNS(=O)(=O)c1ccccc1Cl)c1cccs1 c1csc(c1)[*:1] C[C@@](O)(CNS(=O)(=O)c1ccccc1Cl)[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)NCC(C)(C)OC)CC1=O COC(C)(C)C[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)N[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)NCC(C)(C)OC)CC1=O COC(C)(C)[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)NC[*:1]
CN(Cc1ccccc1N1CCCC1)C(=O)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] CN(Cc1ccccc1N1CCCC1)C(=O)N[*:1]
CN(Cc1ccccc1N1CCCC1)C(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] CN(Cc1ccccc1N1CCCC1)C(=O)NCC[*:1]
CN(Cc1ccccc1N1CCCC1)C(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] CN(Cc1ccccc1N1CCCC1)C(=O)NC[*:1]
CN(Cc1ccccc1N1CCCC1)C(=O)NCCN1CCOCC1 C1CCN(C1)[*:1] CN(Cc1ccccc1[*:1])C(=O)NCCN1CCOCC1
Cc1ccccc1N[C@H](C(=O)NC1CC1)c1ccc(F)cc1 Cc1ccccc1[*:1] O=C(NC1CC1)[C@@H](N[*:1])c1ccc(F)cc1
Cc1ccccc1N[C@H](C(=O)NC1CC1)c1ccc(F)cc1 O=C(NC1CC1)[*:1] Cc1ccccc1N[C@H](c1ccc(F)cc1)[*:1]
Cc1ccccc1N[C@H](C(=O)NC1CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccccc1N[C@H](C(=O)NC1CC1)[*:1]
Cc1ccccc1N[C@H](C(=O)NC1CC1)c1ccc(F)cc1 C1CC1[*:1] Cc1ccccc1N[C@H](C(=O)N[*:1])c1ccc(F)cc1
O=C(c1ccccc1-n1cncn1)N1C[C@@H]2C[NH2+]C[C@]2(C(=O)[O-])C1 c1ncn(n1)[*:1] O=C(c1ccccc1[*:1])N1C[C@@H]2C[NH2+]C[C@@]2(C1)C(=O)[O-]
O=C(c1ccccc1-n1cncn1)N1C[C@@H]2C[NH2+]C[C@]2(C(=O)[O-])C1 O=C([O-])[*:1] O=C(c1ccccc1-n1cncn1)N1C[C@@H]2C[NH2+]C[C@@]2(C1)[*:1]
Cc1ccccc1[C@@H]1CCCN1CC1=NC(=O)[C@H]2SC=CC2=N1 Cc1ccccc1[*:1] O=C1N=C(CN2CCC[C@H]2[*:1])N=C2C=CS[C@H]12
Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 O=[N+]([O-])[*:1] Cc1ccc(cn1)CNS(=O)(=O)c1ccc(c(C)c1)[*:1]
Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 Cc1ccc(cn1)[*:1] Cc1cc(ccc1[N+](=O)[O-])S(=O)(=O)NC[*:1]
O=C(NCCc1ccccc1)c1cnc2scc(-c3ccc(F)cc3)n2c1=O c1ccc(cc1)[*:1] O=C(NCC[*:1])c1cnc2scc(-c3ccc(F)cc3)n2c1=O
O=C(NCCc1ccccc1)c1cnc2scc(-c3ccc(F)cc3)n2c1=O c1ccc(cc1)C[*:1] O=C(NC[*:1])c1cnc2scc(-c3ccc(F)cc3)n2c1=O
O=C(NCCc1ccccc1)c1cnc2scc(-c3ccc(F)cc3)n2c1=O Fc1ccc(cc1)[*:1] O=C(NCCc1ccccc1)c1cnc2scc(n2c1=O)[*:1]
O=C(NCCc1ccccc1)c1cnc2scc(-c3ccc(F)cc3)n2c1=O c1ccc(cc1)CC[*:1] O=C(N[*:1])c1cnc2scc(-c3ccc(F)cc3)n2c1=O
Cc1nc2ccc(NC(=O)C(=O)N3CCO[C@H](c4ccccc4F)C3)cc2o1 Fc1ccccc1[*:1] Cc1nc2ccc(cc2o1)NC(=O)C(=O)N1CCO[C@H](C1)[*:1]
C[C@H](CC(=O)NCc1ccc([S@@](C)=O)cc1)Cc1ccc(Cl)cc1 C[S@@](=O)[*:1] C[C@H](CC(=O)NCc1ccc(cc1)[*:1])Cc1ccc(Cl)cc1
C[C@H](CC(=O)NCc1ccc([S@@](C)=O)cc1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@H](CC(=O)NCc1ccc(cc1)[S@@](C)=O)[*:1]
C[C@H](CC(=O)NCc1ccc([S@@](C)=O)cc1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](CC(=O)NCc1ccc(cc1)[S@@](C)=O)C[*:1]
C/C=C(\C)C(=O)N1CCC([C@@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1 c1cc(cs1)[*:1] C/C=C(\C)C(=O)N1CCC(CC1)[C@]1(NC(=O)N(C[*:1])C1=O)c1cccnc1
C/C=C(\C)C(=O)N1CCC([C@@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1 c1cncc(c1)[*:1] C/C=C(\C)C(=O)N1CCC(CC1)[C@]1(NC(=O)N(Cc2ccsc2)C1=O)[*:1]
C/C=C(\C)C(=O)N1CCC([C@@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1 c1cc(cs1)C[*:1] C/C=C(\C)C(=O)N1CCC(CC1)[C@]1(NC(=O)N(C1=O)[*:1])c1cccnc1
C/C=C(\C)C(=O)N1CCC([C@@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1 CC=C(C)[*:1] O=C1N[C@](C(=O)N1Cc1ccsc1)(c1cccnc1)C1CCN(CC1)C(=O)[*:1]
C[C@H](C(=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1)n1nc(-n2cccn2)ccc1=O O=c1ccc(n[nH]1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])n1nc(ccc1=O)-n1cccn1
C[C@H](C(=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1)n1nc(-n2cccn2)ccc1=O c1cnn(c1)[*:1] C[C@H](C(=O)Nc1ccc(cc1)-c1ccc(=O)[nH]n1)n1nc(ccc1=O)[*:1]
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCl)c2C#N)C1 ClCC[*:1] CCC(C)(C)[C@H]1CCc2c(C1)sc(NC(=O)[*:1])c2C#N
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCl)c2C#N)C1 O=C(CCCl)N[*:1] CCC(C)(C)[C@H]1CCc2c(C1)sc(c2C#N)[*:1]
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCl)c2C#N)C1 CCC(C)(C)[*:1] N#Cc1c(NC(=O)CCCl)sc2C[C@H](CCc21)[*:1]
COC(=O)c1ccc2c([O-])nc(/C(Cl)=C/c3ccccc3Cl)nc2c1 Clc1ccccc1[*:1] COC(=O)c1ccc2c([O-])nc(nc2c1)C(Cl)=C[*:1]
COC(=O)c1ccc2c([O-])nc(/C(Cl)=C/c3ccccc3Cl)nc2c1 COC(=O)[*:1] [O-]c1nc(nc2cc(ccc12)[*:1])/C(Cl)=C/c1ccccc1Cl
CC[C@H](C)CN(C)C(=O)c1cc(Cl)cc(Br)c1O CC[C@H](C)C[*:1] CN(C(=O)c1cc(Cl)cc(Br)c1O)[*:1]
CC[C@H](C)CN(C)C(=O)c1cc(Cl)cc(Br)c1O CC[C@H](C)[*:1] CN(C[*:1])C(=O)c1cc(Cl)cc(Br)c1O
COc1ccccc1-c1noc([C@@H](C)NC(=O)N(C)[C@H](C)C2CC2)n1 C[C@H](C1CC1)[*:1] COc1ccccc1-c1noc(n1)[C@@H](C)NC(=O)N(C)[*:1]
COc1ccccc1-c1noc([C@@H](C)NC(=O)N(C)[C@H](C)C2CC2)n1 COc1ccccc1[*:1] C[C@@H](NC(=O)N(C)[C@H](C)C1CC1)c1nc(no1)[*:1]
COc1ccccc1-c1noc([C@@H](C)NC(=O)N(C)[C@H](C)C2CC2)n1 C1CC1[*:1] COc1ccccc1-c1noc(n1)[C@@H](C)NC(=O)N(C)[C@H](C)[*:1]
C[C@]1(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccsc2)C1=O c1cc(cs1)C[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])C1CCN(CC1)C(=O)c1cc(F)cc(F)c1
C[C@]1(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccsc2)C1=O Fc1cc(F)cc(c1)[*:1] C[C@@]1(NC(=O)N(Cc2ccsc2)C1=O)C1CCN(CC1)C(=O)[*:1]
C[C@]1(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccsc2)C1=O c1cc(cs1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)C1CCN(CC1)C(=O)c1cc(F)cc(F)c1
Cc1c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cnn1C(C)C O=C(C[*:1])NC1CC1 Cc1c(cnn1C(C)C)C(=O)N1CCN(CC1)[*:1]
Cc1c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cnn1C(C)C C1CC1[*:1] Cc1c(cnn1C(C)C)C(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCN(CC1)CC(=O)NC1CC1
Cc1c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cnn1C(C)C O=C(NC1CC1)[*:1] Cc1c(cnn1C(C)C)C(=O)N1CCN(CC1)C[*:1]
CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(O)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CCn1c(nnc1-c1ccc(O)cc1)S[C@@H](C)C(=O)N[*:1]
CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(O)cc1 O=[N+]([O-])[*:1] CCn1c(nnc1-c1ccc(O)cc1)S[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(O)cc1 Oc1ccc(cc1)[*:1] CCn1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
CC(C)C[NH+]1CCC(NC(=O)c2cc(C(C)C)no2)CC1 CC(C)C[*:1] CC(C)c1cc(on1)C(=O)NC1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCC(NC(=O)c2cc(C(C)C)no2)CC1 CC(C)[*:1] CC(C)c1cc(on1)C(=O)NC1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCC(NC(=O)c2cc(C(C)C)no2)CC1 CC(C)[*:1] CC(C)C[NH+]1CCC(CC1)NC(=O)c1cc(no1)[*:1]
C#Cc1cccc(N(CC)C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 C#Cc1cccc(c1)[*:1] CCN(C(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
C#Cc1cccc(N(CC)C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 CC(C)(C)[*:1] C#Cc1cccc(c1)N(CC)C(=O)[C@@H]1CCN(C1)C(=O)O[*:1]
O=C(C1CCN(c2ccc3nnc(-c4ccccc4Cl)n3n2)CC1)N1CCCC1 O=C(N1CCCC1)[*:1] Clc1ccccc1-c1nnc2ccc(nn12)N1CCC(CC1)[*:1]
O=C(C1CCN(c2ccc3nnc(-c4ccccc4Cl)n3n2)CC1)N1CCCC1 Clc1ccccc1[*:1] O=C(C1CCN(CC1)c1ccc2nnc(n2n1)[*:1])N1CCCC1
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(F)cc32)cc1Cl O=C(c1ccncc1)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1cc(c(=O)c2ccc(F)cc21)[*:1]
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(F)cc32)cc1Cl COc1ccc(cc1Cl)[*:1] O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2ccc(F)cc21)N[*:1]
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(F)cc32)cc1Cl c1cc(ccn1)[*:1] COc1ccc(cc1Cl)NC(=O)Cn1cc(C(=O)[*:1])c(=O)c2ccc(F)cc21
CCOc1ccc2nc(NCc3ccc(C)s3)sc2c1 CCO[*:1] Cc1ccc(CNc2nc3ccc(cc3s2)[*:1])s1
CCOc1ccc2nc(NCc3ccc(C)s3)sc2c1 Cc1ccc(s1)[*:1] CCOc1ccc2nc(NC[*:1])sc2c1
CN(C(=O)Cn1ncc2c1-c1ccccc1OC2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)Cn1ncc2COc3ccccc3-c21)[*:1]
CC(C)c1ccccc1NC(=O)c1c(F)cccc1F CC(C)[*:1] O=C(Nc1ccccc1[*:1])c1c(F)cccc1F
COCCNC(=O)c1nc2c(=O)n(Cc3cccc(Cl)c3)c3cc(C)ccc3n2n1 COC[*:1] Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(nn12)C(=O)NC[*:1]
COCCNC(=O)c1nc2c(=O)n(Cc3cccc(Cl)c3)c3cc(C)ccc3n2n1 COCCNC(=O)[*:1] Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(nn12)[*:1]
COCCNC(=O)c1nc2c(=O)n(Cc3cccc(Cl)c3)c3cc(C)ccc3n2n1 COCC[*:1] Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(nn12)C(=O)N[*:1]
COCCNC(=O)c1nc2c(=O)n(Cc3cccc(Cl)c3)c3cc(C)ccc3n2n1 Clc1cccc(c1)[*:1] COCCNC(=O)c1nc2c(=O)n(C[*:1])c3cc(C)ccc3n2n1
COCCNC(=O)c1nc2c(=O)n(Cc3cccc(Cl)c3)c3cc(C)ccc3n2n1 Clc1cccc(c1)C[*:1] COCCNC(=O)c1nc2c(=O)n(c3cc(C)ccc3n2n1)[*:1]
CN(C)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 CN(C)C(=O)[*:1] Brc1cccc(c1)[C@H]1C[C@@H]1[*:1]
C=CCCC[C@@H](Cc1ccc(F)cc1)C(=O)[O-] C=CC[*:1] O=C([O-])[C@@H](CC[*:1])Cc1ccc(F)cc1
C=CCCC[C@@H](Cc1ccc(F)cc1)C(=O)[O-] O=C([O-])[*:1] C=CCCC[C@@H](Cc1ccc(F)cc1)[*:1]
C=CCCC[C@@H](Cc1ccc(F)cc1)C(=O)[O-] C=CCC[*:1] O=C([O-])[C@H](Cc1ccc(F)cc1)C[*:1]
C=CCCC[C@@H](Cc1ccc(F)cc1)C(=O)[O-] C=CCCC[*:1] O=C([O-])[C@H](Cc1ccc(F)cc1)[*:1]
O=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccncc1 Fc1ccc(cc1)[*:1] O=C(NC1CCN(CC1)S(=O)(=O)[*:1])c1ccncc1
O=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NC1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)[*:1]
CC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C1CCCCC1 FC(F)(F)[*:1] CC(=O)Nc1cc(ccc1N(C)C1CCCCC1)[*:1]
CC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C1CCCCC1 C1CCC(CC1)[*:1] CC(=O)Nc1cc(ccc1N(C)[*:1])C(F)(F)F
CC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C1CCCCC1 CC(=O)N[*:1] CN(c1ccc(cc1[*:1])C(F)(F)F)C1CCCCC1
CC(C)NC(=S)N(Cc1ccccc1)Cc1ccccc1Cl CC(C)[*:1] S=C(N[*:1])N(Cc1ccccc1)Cc1ccccc1Cl
CC(C)NC(=S)N(Cc1ccccc1)Cc1ccccc1Cl Clc1ccccc1[*:1] CC(C)NC(=S)N(Cc1ccccc1)C[*:1]
CC(C)NC(=S)N(Cc1ccccc1)Cc1ccccc1Cl c1ccc(cc1)[*:1] CC(C)NC(=S)N(Cc1ccccc1Cl)C[*:1]
CC(C)NC(=S)N(Cc1ccccc1)Cc1ccccc1Cl c1ccc(cc1)C[*:1] CC(C)NC(=S)N(Cc1ccccc1Cl)[*:1]
CN(CCC#N)c1ccc(/C=N/c2ccc(Cl)cc2Cl)cc1 N#CCC[*:1] CN(c1ccc(/C=N/c2ccc(Cl)cc2Cl)cc1)[*:1]
CN(CCC#N)c1ccc(/C=N/c2ccc(Cl)cc2Cl)cc1 CN(CCC#N)[*:1] Clc1ccc(/N=C/c2ccc(cc2)[*:1])c(Cl)c1
CN(CCC#N)c1ccc(/C=N/c2ccc(Cl)cc2Cl)cc1 N#CC[*:1] CN(C[*:1])c1ccc(/C=N/c2ccc(Cl)cc2Cl)cc1
C[C@@H]1CC[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] C[C@@H]1CC[C@@H](C1)[NH2+][C@H](C)C(=O)O[*:1]
CC(C)c1nccc(C[NH+]2CCC(c3nc4ccccc4n3C)CC2)n1 CC(C)[*:1] Cn1c(nc2ccccc21)C1CC[NH+](CC1)Cc1ccnc(n1)[*:1]
COc1ccc(-c2cc(N3CCN(C(=O)C(C)C)CC3)ncn2)cc1 CC(C)[*:1] COc1ccc(cc1)-c1cc(ncn1)N1CCN(CC1)C(=O)[*:1]
COc1ccc(-c2cc(N3CCN(C(=O)C(C)C)CC3)ncn2)cc1 COc1ccc(cc1)[*:1] CC(C)C(=O)N1CCN(CC1)c1cc(ncn1)[*:1]
CCOCc1cc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)ccc1OC CCOC[*:1] COc1ccc(cc1[*:1])CN1CCc2nc(ncc2C1)[C@H]1CCC[NH2+]1
CCOCc1cc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)ccc1OC CCO[*:1] COc1ccc(cc1C[*:1])CN1CCc2nc(ncc2C1)[C@H]1CCC[NH2+]1
CC[C@@H](Br)C(=O)NCc1ccccc1Cl CC[C@@H](Br)[*:1] O=C(NCc1ccccc1Cl)[*:1]
COC1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 FC(F)(F)C[*:1] COC1CCN(CC1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
COC1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COC1CCN(CC1)C(=O)N[C@@H](CC(F)(F)F)[*:1]
COC1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 FC(F)(F)[*:1] COC1CCN(CC1)C(=O)N[C@@H](C[*:1])c1ccc(F)cc1
CC(C)c1cc(C(=O)N2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)on1 CC(C)[*:1] Cn1nc(cc1CN1CCN(CC1)C(=O)c1cc(no1)[*:1])-c1cccnc1
CC(C)c1cc(C(=O)N2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)on1 c1cncc(c1)[*:1] CC(C)c1cc(on1)C(=O)N1CCN(CC1)Cc1cc(nn1C)[*:1]
CC(C)c1cc(C(=O)N2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)on1 CC(C)c1cc(on1)[*:1] Cn1nc(cc1CN1CCN(CC1)C(=O)[*:1])-c1cccnc1
Cc1ccc(C)c([C@H](O)CN2CCN(CC(=O)NC(C)C)CC2)c1 Cc1ccc(C)c(c1)[*:1] CC(C)NC(=O)CN1CCN(CC1)C[C@@H](O)[*:1]
Cc1ccc(C)c([C@H](O)CN2CCN(CC(=O)NC(C)C)CC2)c1 CC(C)NC(=O)[*:1] Cc1ccc(C)c(c1)[C@H](O)CN1CCN(CC1)C[*:1]
Cc1ccc(C)c([C@H](O)CN2CCN(CC(=O)NC(C)C)CC2)c1 CC(C)[*:1] Cc1ccc(C)c(c1)[C@H](O)CN1CCN(CC1)CC(=O)N[*:1]
Cc1ccc(C)c([C@H](O)CN2CCN(CC(=O)NC(C)C)CC2)c1 CC(C)NC(=O)C[*:1] Cc1ccc(C)c(c1)[C@H](O)CN1CCN(CC1)[*:1]
O=C(c1cc(Cl)sc1Cl)N1CCN(Cc2nc(-c3cccs3)no2)CC1 c1csc(c1)[*:1] O=C(c1cc(Cl)sc1Cl)N1CCN(CC1)Cc1nc(no1)[*:1]
O=C(c1cc(Cl)sc1Cl)N1CCN(Cc2nc(-c3cccs3)no2)CC1 Clc1cc(c(Cl)s1)[*:1] O=C(N1CCN(CC1)Cc1nc(no1)-c1cccs1)[*:1]
COc1cccc2cc(/C(O)=C3\C(=O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccnc3)oc12 c1cncc(c1)[*:1] COc1cccc2cc(oc12)/C(O)=C1\C(=O)C(=O)N(CCC[NH+](C)C)[C@@H]1[*:1]
CCOCc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)s1 CCO[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(C[*:1])s1
CCOCc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)s1 CCOC[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(s1)[*:1]
COc1ccc(NC(=O)C(=O)NCC[C@H](O)C(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)NC(=O)C(=O)NCC[C@H](O)[*:1]
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 CC(C)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)NNC(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 CC(C)C(=O)N[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)NNC(=O)c1ccc(cc1)[*:1]
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 Cc1cccc(c1)[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)[C@H](C)O[*:1]
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 Cc1cccc(c1)O[*:1] CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=O)[C@H](C)[*:1]
Cc1csc([C@@H](NC(=O)N2CCOc3ccccc3C2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)N1CCOc2ccccc2C1)[*:1]
Cc1csc([C@@H](NC(=O)N2CCOc3ccccc3C2)C2CC2)n1 Cc1csc(n1)[*:1] O=C(N[C@@H](C1CC1)[*:1])N1CCOc2ccccc2C1
CC(C)OCCS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O CC(C)OC[*:1] O=S(=O)(C[*:1])N[C@@H]1c2ccccc2C[C@@H]1O
CC(C)OCCS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O CC(C)OCC[*:1] O=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1O)[*:1]
CC(C)OCCS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O CC(C)O[*:1] O=S(=O)(CC[*:1])N[C@@H]1c2ccccc2C[C@@H]1O
CC(C)OCCS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O CC(C)[*:1] O=S(=O)(CCO[*:1])N[C@@H]1c2ccccc2C[C@@H]1O
C[NH+](C)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)C1 FC(F)(F)O[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)C1 FC(F)(F)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1cccc(c1)O[*:1]
COC[C@H](C)N1CC[NH+](CCC(=O)Nc2ccccc2)CC1 COC[*:1] C[C@H](N1CC[NH+](CCC(=O)Nc2ccccc2)CC1)[*:1]
COC[C@H](C)N1CC[NH+](CCC(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] COC[C@H](C)N1CC[NH+](CCC(=O)N[*:1])CC1
COC[C@H](C)N1CC[NH+](CCC(=O)Nc2ccccc2)CC1 COC[C@H](C)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])Nc1ccccc1
COc1ccccc1[C@@H](C#N)NC(=O)c1cc(C(C)C)no1 CC(C)[*:1] COc1ccccc1[C@@H](C#N)NC(=O)c1cc(no1)[*:1]
CC[C@H](CCCl)CNS(=O)(=O)c1ccc(C)cc1 ClCC[*:1] CC[C@H](CNS(=O)(=O)c1ccc(C)cc1)[*:1]
C[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)CCn1c(=O)oc2ccccc21 COc1ccccc1C[*:1] C[C@@H](N(C)C(=O)CCn1c(=O)oc2ccccc21)[*:1]
COc1ccccc1C[C@@H](C)N(C)C(=O)CCn1c(=O)oc2ccccc21 COc1ccccc1[*:1] C[C@H](C[*:1])N(C)C(=O)CCn1c(=O)oc2ccccc21
CCS[C@@H]1CCCC[C@H]1NC(=O)N(C)CC1CC1 C1CC1C[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)N(C)[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)N(C)CC1CC1 C1CC1[*:1] CCS[C@@H]1CCCC[C@H]1NC(=O)N(C)C[*:1]
CCS[C@@H]1CCCC[C@H]1NC(=O)N(C)CC1CC1 CCS[*:1] CN(CC1CC1)C(=O)N[C@@H]1CCCC[C@H]1[*:1]
Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccccc3F)cc12 Fc1ccccc1[*:1] Cc1ccc(C)c2[nH]c(=O)c(cc12)CN(CC[NH+](C)C)C(=O)N[*:1]
O=[N+]([O-])c1cc(C[NH2+]Cc2cccnc2)ccc1Br c1cncc(c1)[*:1] O=[N+]([O-])c1cc(ccc1Br)C[NH2+]C[*:1]
O=[N+]([O-])c1cc(C[NH2+]Cc2cccnc2)ccc1Br O=[N+]([O-])[*:1] Brc1ccc(cc1[*:1])C[NH2+]Cc1cccnc1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]3c3cccs3)ccc2O1 c1csc(c1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@H]1[*:1]
C/C=C(\C=C\C(=O)NC1(c2noc(C)n2)CCCCCC1)CC Cc1nc(no1)[*:1] C/C=C(\C=C\C(=O)NC1(CCCCCC1)[*:1])CC
C/C=C(\C=C\C(=O)NC1(c2noc(C)n2)CCCCCC1)CC C/C=C(\C=C[*:1])CC Cc1nc(no1)C1(CCCCCC1)NC(=O)[*:1]
C/C=C(\C=C\C(=O)NC1(c2noc(C)n2)CCCCCC1)CC CC=C(CC)[*:1] Cc1nc(no1)C1(CCCCCC1)NC(=O)C=C[*:1]
Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CC3)CC2)c1 O=[N+]([O-])[*:1] Cc1ccc(c(c1)N1CC[NH+](CC1)CC1CC1)[*:1]
Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CC3)CC2)c1 C1CC1[*:1] Cc1ccc(c(c1)N1CC[NH+](CC1)C[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CC3)CC2)c1 C1CC1C[*:1] Cc1ccc(c(c1)N1CC[NH+](CC1)[*:1])[N+](=O)[O-]
C[C@H](CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)[*:1]
C[C@H](CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1cccc(F)c1 CS(=O)(=O)CC[*:1] C[C@H](CC(=O)Nc1ccn(n1)[*:1])c1cccc(F)c1
C[C@H](CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1cccc(F)c1 CS(=O)(=O)C[*:1] C[C@H](CC(=O)Nc1ccn(C[*:1])n1)c1cccc(F)c1
C[C@H](CC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1cccc(F)c1 CS(=O)(=O)[*:1] C[C@H](CC(=O)Nc1ccn(CC[*:1])n1)c1cccc(F)c1
C[C@H]1CN(C(=O)c2cccnc2OCC(F)F)C[C@H](c2ccccc2)O1 FC(F)[*:1] C[C@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)c1cccnc1OC[*:1]
C[C@H]1CN(C(=O)c2cccnc2OCC(F)F)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])C(=O)c1cccnc1OCC(F)F
C[C@H]1CN(C(=O)c2cccnc2OCC(F)F)C[C@H](c2ccccc2)O1 FC(F)C[*:1] C[C@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)c1cccnc1O[*:1]
C[C@H]1CN(C(=O)c2cccnc2OCC(F)F)C[C@H](c2ccccc2)O1 FC(F)CO[*:1] C[C@H]1CN(C[C@@H](O1)c1ccccc1)C(=O)c1cccnc1[*:1]
Cc1ccccc1-c1cc(NC(=O)CSc2nccn2C)n(C)n1 Cn1ccnc1[*:1] Cc1ccccc1-c1cc(NC(=O)CS[*:1])n(C)n1
Cc1ccccc1-c1cc(NC(=O)CSc2nccn2C)n(C)n1 Cn1ccnc1S[*:1] Cc1ccccc1-c1cc(NC(=O)C[*:1])n(C)n1
Cc1ccccc1-c1cc(NC(=O)CSc2nccn2C)n(C)n1 Cn1ccnc1SC[*:1] Cc1ccccc1-c1cc(NC(=O)[*:1])n(C)n1
Cc1ccccc1-c1cc(NC(=O)CSc2nccn2C)n(C)n1 Cc1ccccc1[*:1] Cn1ccnc1SCC(=O)Nc1cc(nn1C)[*:1]
Cc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1O)C2 Oc1ccccc1[*:1] Cc1nc(nc2C[C@H](CC(=O)c12)[*:1])N1CCN(CC1)c1ncccn1
Cc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1O)C2 c1cnc(nc1)[*:1] Cc1nc(nc2C[C@@H](CC(=O)c12)c1ccccc1O)N1CCN(CC1)[*:1]
CC(C)COc1ccc(NC(=O)C(=O)N[C@@H]2CC=CCC2)cc1Cl CC(C)CO[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])C(=O)N[C@@H]1CC=CCC1
CC(C)COc1ccc(NC(=O)C(=O)N[C@@H]2CC=CCC2)cc1Cl CC(C)C[*:1] O=C(Nc1ccc(O[*:1])c(Cl)c1)C(=O)N[C@@H]1CC=CCC1
CC(C)COc1ccc(NC(=O)C(=O)N[C@@H]2CC=CCC2)cc1Cl CC(C)[*:1] O=C(Nc1ccc(OC[*:1])c(Cl)c1)C(=O)N[C@@H]1CC=CCC1
CC(C)CN1CCN(C(=O)c2ccnc(-n3cnnc3)c2)[C@@H](C)C1=O CC(C)C[*:1] C[C@H]1C(=O)N(CCN1C(=O)c1ccnc(c1)-n1cnnc1)[*:1]
CC(C)CN1CCN(C(=O)c2ccnc(-n3cnnc3)c2)[C@@H](C)C1=O CC(C)[*:1] C[C@H]1C(=O)N(CCN1C(=O)c1ccnc(c1)-n1cnnc1)C[*:1]
CC(C)CN1CCN(C(=O)c2ccnc(-n3cnnc3)c2)[C@@H](C)C1=O c1nncn1[*:1] CC(C)CN1CCN(C(=O)c2ccnc(c2)[*:1])[C@@H](C)C1=O
NOC(=O)[C@@H]1[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 NOC(=O)[*:1] c1ccc(cc1)[C@H]1[C@H](C1(c1ccccc1)c1ccccc1)[*:1]
NOC(=O)[C@@H]1[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] NOC(=O)[C@@H]1[C@H](c2ccccc2)C1(c1ccccc1)[*:1]
NOC(=O)[C@@H]1[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] NOC(=O)[C@@H]1[C@H](C1(c1ccccc1)c1ccccc1)[*:1]
O=C1[NH+]=c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2=[NH+]1 O=[N+]([O-])[*:1] O=C1[NH+]=c2ccc(cc2=[NH+]1)/N=C/c1cc(ccc1Cl)[*:1]
O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1c(O)cc(Cl)cc1Cl O=C(N1CCCC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1c(O)cc(Cl)cc1Cl
CC[C@H](C(=O)Nc1cccc(OC)c1)n1c(C(=O)OC)cc2ccsc21 COC(=O)[*:1] CC[C@H](C(=O)Nc1cccc(c1)OC)n1c(cc2ccsc21)[*:1]
CC[C@H](C(=O)Nc1cccc(OC)c1)n1c(C(=O)OC)cc2ccsc21 COc1cccc(c1)[*:1] CC[C@H](C(=O)N[*:1])n1c(cc2ccsc21)C(=O)OC
CCNc1ncc(CN2C(=O)[C@H](C)Oc3ccccc32)s1 CCN[*:1] C[C@@H]1Oc2ccccc2N(Cc2cnc(s2)[*:1])C1=O
C=CCN1C(=O)/C(=C/c2cccnc2)S/C1=N\c1ccc(O)cc1 c1cncc(c1)[*:1] C=CCN1C(=O)C(=C[*:1])S/C1=N\c1ccc(O)cc1
C=CCN1C(=O)/C(=C/c2cccnc2)S/C1=N\c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C=CCN1C(=O)/C(=C/c2cccnc2)SC1=N[*:1]
C=CCN1C(=O)/C(=C/c2cccnc2)S/C1=N\c1ccc(O)cc1 C=CC[*:1] O=C1/C(=C/c2cccnc2)S/C(=N\c2ccc(O)cc2)N1[*:1]
COC(=O)c1sccc1NC(=O)[C@@H]1CC=CCC1 COC(=O)[*:1] O=C(Nc1ccsc1[*:1])[C@@H]1CC=CCC1
CCCS(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 CCC[*:1] O=C(Nc1cccc(c1)[N-]S(=O)(=O)[*:1])C1CC1
CCCS(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] CCCS(=O)(=O)[N-]c1cccc(c1)NC(=O)[*:1]
CCCS(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 CCCS(=O)(=O)[N-]c1cccc(c1)[*:1]
C[C@@H](C(=O)N1CCOCC1)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 O=C(N1CCOCC1)[*:1] C[C@@H](N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1)[*:1]
C[C@@H](C(=O)N1CCOCC1)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCOCC1)N(C(=O)[*:1])c1ccc(F)c(Cl)c1
C[C@@H](C(=O)N1CCOCC1)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] C[C@@H](C(=O)N1CCOCC1)N(C(=O)c1ccccc1)[*:1]
C[C@H]1CCCCN1C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)CSc1nc2c(sc(=S)n2[*:1])c(=O)[nH]1
C[C@H]1CCCCN1C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 C[C@H]1CCCCN1C(=O)[*:1] O=c1[nH]c(nc2c1sc(=S)n2-c1ccccc1)SC[*:1]
C[C@H](NC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)N(C)Cc1ccccc1Br)[*:1]
O=C(Nc1ccc(-n2cccn2)c(Cl)c1)C(=O)N1CCCC1 c1cnn(c1)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])C(=O)N1CCCC1
CC(C)(C)c1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 CC(C)(C)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
CC(C)(C)c1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 FC(F)(F)[*:1] CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
Cc1c(NCC(C)(C)CCC#N)cccc1C(=O)N1CCOCC1 CC(C)(CCC#N)C[*:1] Cc1c(cccc1C(=O)N1CCOCC1)N[*:1]
Cc1c(NCC(C)(C)CCC#N)cccc1C(=O)N1CCOCC1 N#CCC[*:1] Cc1c(cccc1C(=O)N1CCOCC1)NCC(C)(C)[*:1]
Cc1c(NCC(C)(C)CCC#N)cccc1C(=O)N1CCOCC1 CC(C)(CCC#N)[*:1] Cc1c(cccc1C(=O)N1CCOCC1)NC[*:1]
Cc1c(NCC(C)(C)CCC#N)cccc1C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] Cc1c(cccc1[*:1])NCC(C)(C)CCC#N
Cc1c(NCC(C)(C)CCC#N)cccc1C(=O)N1CCOCC1 N#CC[*:1] Cc1c(cccc1C(=O)N1CCOCC1)NCC(C)(C)C[*:1]
Cc1nn(C)c(Oc2cccnc2)c1C[NH2+][C@@H]1CCCc2ccc(F)cc21 c1cncc(c1)[*:1] Cc1nn(C)c(O[*:1])c1C[NH2+][C@@H]1CCCc2ccc(F)cc21
Cc1nn(C)c(Oc2cccnc2)c1C[NH2+][C@@H]1CCCc2ccc(F)cc21 c1cncc(c1)O[*:1] Cc1nn(C)c(c1C[NH2+][C@@H]1CCCc2ccc(F)cc21)[*:1]
CC[C@H](CSC)N(C)C(=O)C[C@H]1COC(=O)C1 CSC[*:1] CC[C@H](N(C)C(=O)C[C@H]1COC(=O)C1)[*:1]
COc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)C(=O)N[*:1])c1ccccc1
COc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)NC(=O)C(=O)N[C@H](c1ccccc1)[*:1]
COc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C(C)C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)C(=O)N[C@H](C(C)C)[*:1]
O=C(c1c[nH]c2ncccc12)N1CC[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(c1c[nH]c2ncccc12)N1CC[C@@H]1[*:1]
CC[C@@H]1CO[C@@H](C)CN1[C@@H]1CCC[C@](NC)(C(N)=O)C1 NC(=O)[*:1] CC[C@@H]1CO[C@@H](C)CN1[C@@H]1CCC[C@@](C1)(NC)[*:1]
C[NH+](CCNS(C)(=O)=O)Cc1ccc(-c2nc3ccccc3s2)o1 CS(=O)(=O)N[*:1] C[NH+](CC[*:1])Cc1ccc(o1)-c1nc2ccccc2s1
C[NH+](CCNS(C)(=O)=O)Cc1ccc(-c2nc3ccccc3s2)o1 CS(=O)(=O)NC[*:1] C[NH+](Cc1ccc(o1)-c1nc2ccccc2s1)C[*:1]
C[NH+](CCNS(C)(=O)=O)Cc1ccc(-c2nc3ccccc3s2)o1 CS(=O)(=O)NCC[*:1] C[NH+](Cc1ccc(o1)-c1nc2ccccc2s1)[*:1]
N#Cc1ccc(OC2CCC([NH2+]Cc3cc(-c4ccccc4)[nH]n3)CC2)nc1 N#Cc1ccc(nc1)[*:1] c1ccc(cc1)-c1cc(C[NH2+]C2CCC(CC2)O[*:1])n[nH]1
N#Cc1ccc(OC2CCC([NH2+]Cc3cc(-c4ccccc4)[nH]n3)CC2)nc1 N#Cc1ccc(nc1)O[*:1] c1ccc(cc1)-c1cc(C[NH2+]C2CCC(CC2)[*:1])n[nH]1
N#Cc1ccc(OC2CCC([NH2+]Cc3cc(-c4ccccc4)[nH]n3)CC2)nc1 c1ccc(cc1)[*:1] N#Cc1ccc(nc1)OC1CCC(CC1)[NH2+]Cc1cc([nH]n1)[*:1]
COc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C)cc(OC)c1OC(F)F FC(F)O[*:1] COc1cc(cc(OC)c1[*:1])C(=O)N1CC[C@@H](C)C[C@@H]1C
COc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C)cc(OC)c1OC(F)F FC(F)[*:1] COc1cc(cc(OC)c1O[*:1])C(=O)N1CC[C@@H](C)C[C@@H]1C
C/C=C/C(=O)Nc1cccc(C)c1C CC=C[*:1] Cc1cccc(NC(=O)[*:1])c1C
COC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 COC(=O)[*:1] O=C(Nc1ccccc1[*:1])c1cc(nc2ccccc12)-c1ccco1
COC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 c1coc(c1)[*:1] COC(=O)c1ccccc1NC(=O)c1cc(nc2ccccc12)[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)c1ccsc1 c1cc(cs1)[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)[*:1]
CCCN(Cn1c(=O)oc2cc(Cl)ccc21)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=c1oc2cc(Cl)ccc2n1CN([C@H]1CCS(=O)(=O)C1)[*:1]
O=C(NCc1ccccc1Oc1cnccn1)N[C@@H]1CCC[C@H]1CO c1cnc(cn1)[*:1] O=C(NCc1ccccc1O[*:1])N[C@@H]1CCC[C@H]1CO
O=C(NCc1ccccc1Oc1cnccn1)N[C@@H]1CCC[C@H]1CO c1cnc(cn1)O[*:1] O=C(NCc1ccccc1[*:1])N[C@@H]1CCC[C@H]1CO
O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1ncc(-n2cncn2)c1O c1ncn(n1)[*:1] O=[N+]([O-])c1cc(ccc1-n1ncc(c1O)[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1ncc(-n2cncn2)c1O FC(F)(F)[*:1] O=[N+]([O-])c1cc(ccc1-n1ncc(c1O)-n1cncn1)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1ncc(-n2cncn2)c1O O=[N+]([O-])[*:1] Oc1c(cnn1-c1ccc(cc1[*:1])C(F)(F)F)-n1cncn1
Cc1cnccc1CC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cnccc1CC[NH2+][C@H]1CCC[C@@H]1[*:1]
Cc1cnccc1CC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 Cc1cnccc1[*:1] Fc1ccc(cc1)[C@@H]1CCC[C@@H]1[NH2+]CC[*:1]
C=CCNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] C=CCNC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C=CCNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 C=CC[*:1] O=C(N[*:1])N1CCN(CC1)S(=O)(=O)C1CC1
Cc1ccccc1OCC[NH2+]Cc1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccccc1OCC[NH2+]Cc1cnn(c1)[*:1]
Cc1ccccc1OCC[NH2+]Cc1cnn(C(C)(C)C)c1 Cc1ccccc1[*:1] CC(C)(C)n1cc(cn1)C[NH2+]CCO[*:1]
O=C(NCc1ncc(-c2ccccc2)o1)NOC1CCCC1 C1CCC(C1)[*:1] O=C(NCc1ncc(o1)-c1ccccc1)NO[*:1]
O=C(NCc1ncc(-c2ccccc2)o1)NOC1CCCC1 c1ccc(cc1)[*:1] O=C(NCc1ncc(o1)[*:1])NOC1CCCC1
O=C(C[C@@H](O)c1cccc(F)c1)/N=c1\[nH]ncn1Cc1ccccc1 Fc1cccc(c1)[*:1] O=C(C[C@@H](O)[*:1])/N=c1\[nH]ncn1Cc1ccccc1
O=C(C[C@@H](O)c1cccc(F)c1)/N=c1\[nH]ncn1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)c1cccc(F)c1)/N=c1\[nH]ncn1C[*:1]
O=C(C[C@@H](O)c1cccc(F)c1)/N=c1\[nH]ncn1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@@H](O)c1cccc(F)c1)/N=c1\[nH]ncn1[*:1]
C#CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccc(F)cc2)sc2cc(F)ccc21 C#CC[*:1] O=C(CCCS(=O)(=O)c1ccc(F)cc1)/N=c1\sc2cc(F)ccc2n1[*:1]
C#CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccc(F)cc2)sc2cc(F)ccc21 Fc1ccc(cc1)[*:1] C#CCn1/c(=N/C(=O)CCCS(=O)(=O)[*:1])sc2cc(F)ccc21
CC(=O)Nc1cccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 FC(F)(F)[*:1] CC(=O)Nc1cccc(c1)C(=O)N1CC[C@](O)(C1)[*:1]
CC(=O)Nc1cccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 CC(=O)N[*:1] O=C(c1cccc(c1)[*:1])N1CC[C@@](O)(C1)C(F)(F)F
O=C(NCC[C@@H]1C=c2ccc(F)cc2=[NH+]C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(NCC[C@@H]1C=c2ccc(F)cc2=[NH+]C1=O)c1ccc(cc1)[*:1]
CS[C@H]1CC[C@@H](NC(=O)Cc2csc(-c3nc[nH]n3)n2)C1 c1nc(n[nH]1)[*:1] CS[C@H]1CC[C@H](C1)NC(=O)Cc1csc(n1)[*:1]
CO[C@@H]1CCCN(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)C1 O=C(N[*:1])c1ccncc1 CO[C@@H]1CCCN(C1)C(=O)NCc1cccc(c1)[*:1]
CO[C@@H]1CCCN(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)C1 c1cc(ccn1)[*:1] CO[C@@H]1CCCN(C1)C(=O)NCc1cccc(c1)NC(=O)[*:1]
Cc1ccsc1CN(C)C(=O)NCCc1nc2ccccc2[nH]1 Cc1ccsc1[*:1] CN(C[*:1])C(=O)NCCc1nc2ccccc2[nH]1
Cc1ccsc1CN(C)C(=O)NCCc1nc2ccccc2[nH]1 Cc1ccsc1C[*:1] CN(C(=O)NCCc1nc2ccccc2[nH]1)[*:1]
O=C(Nc1cccc(F)c1)[C@H]1CCCN(C(=O)c2ccccc2F)C1 Fc1ccccc1[*:1] O=C(Nc1cccc(F)c1)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(Nc1cccc(F)c1)[C@H]1CCCN(C(=O)c2ccccc2F)C1 Fc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1ccccc1F
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCC[S@@](=O)C(C)(C)C)C1 COC(=O)[*:1] CC(C)(C)[S@](=O)CCNC(=O)N1CCC[C@@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCC[S@@](=O)C(C)(C)C)C1 CC(C)(C)[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)NCC[S@@](=O)[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCC[S@@](=O)C(C)(C)C)C1 CC(C)(C)[S@](=O)CC[*:1] COC(=O)C(C)(C)[C@H]1CCCN(C1)C(=O)N[*:1]
COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCC[S@@](=O)C(C)(C)C)C1 COC(=O)C(C)(C)[*:1] CC(C)(C)[S@](=O)CCNC(=O)N1CCC[C@@H](C1)[*:1]
O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)Nc1cccc(Cl)c1 O=C(Nc1cccc(Cl)c1)[*:1] O=c1ccc(nn1C[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cn1nc(ccc1=O)N1CCN(CC1)c1cccc(Cl)c1)N[*:1]
O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cn1nc(ccc1=O)N1CCN(CC1)[*:1])Nc1cccc(Cl)c1
COc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1ccc(cc1[*:1])NC(=O)NC[C@@H]1CCCO1
COc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1OCC(F)(F)F C1CO[C@@H](C1)[*:1] COc1ccc(cc1OCC(F)(F)F)NC(=O)NC[*:1]
COc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1OCC(F)(F)F C1CO[C@@H](C1)C[*:1] COc1ccc(cc1OCC(F)(F)F)NC(=O)N[*:1]
COc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1OCC(F)(F)F FC(F)(F)C[*:1] COc1ccc(cc1O[*:1])NC(=O)NC[C@@H]1CCCO1
COc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1OCC(F)(F)F FC(F)(F)[*:1] COc1ccc(cc1OC[*:1])NC(=O)NC[C@@H]1CCCO1
CC(=O)Nc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)N[C@H]1CCCC[C@@H]1C
CCCC[C@@H](C(=O)[O-])[C@H](O)c1ccc(Br)cc1F CCC[*:1] O=C([O-])[C@H](C[*:1])[C@H](O)c1ccc(Br)cc1F
CCCC[C@@H](C(=O)[O-])[C@H](O)c1ccc(Br)cc1F O=C([O-])[*:1] CCCC[C@@H]([C@H](O)c1ccc(Br)cc1F)[*:1]
CCCC[C@@H](C(=O)[O-])[C@H](O)c1ccc(Br)cc1F CCCC[*:1] O=C([O-])[C@@H]([C@H](O)c1ccc(Br)cc1F)[*:1]
COc1ccccc1NC(=O)Nc1nc(Cc2nc(-c3ncccn3)no2)cs1 c1cnc(nc1)[*:1] COc1ccccc1NC(=O)Nc1nc(cs1)Cc1nc(no1)[*:1]
COc1ccccc1NC(=O)Nc1nc(Cc2nc(-c3ncccn3)no2)cs1 COc1ccccc1[*:1] O=C(Nc1nc(cs1)Cc1nc(no1)-c1ncccn1)N[*:1]
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 Cc1n[nH]c(C)c1C[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])c1ccc(cc1)-c1cccnc1
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 Cc1n[nH]c(C)c1[*:1] C[C@@H](C[*:1])C(=O)N[C@@H](C)c1ccc(cc1)-c1cccnc1
Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1 C1CCN(CC1)[*:1] Cc1nc(cc(n1)[*:1])N1CCN(CC1)S(=O)(=O)c1cc(F)ccc1F
Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1 Fc1ccc(F)c(c1)[*:1] Cc1nc(cc(n1)N1CCN(CC1)S(=O)(=O)[*:1])N1CCCCC1
CC(C)N(C)C(=O)[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)N(C)C(=O)[C@@H]1CN(C[C@@H]1c1cccc(c1)[*:1])C(=O)c1ccco1
CC(C)N(C)C(=O)[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1c1cccc(C(F)(F)F)c1 c1coc(c1)[*:1] CC(C)N(C)C(=O)[C@@H]1CN(C[C@@H]1c1cccc(c1)C(F)(F)F)C(=O)[*:1]
CC(C)N(C)C(=O)[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1c1cccc(C(F)(F)F)c1 CC(C)N(C)C(=O)[*:1] O=C(c1ccco1)N1C[C@H](c2cccc(c2)C(F)(F)F)[C@@H](C1)[*:1]
CC(C)N(C)C(=O)[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1c1cccc(C(F)(F)F)c1 CC(C)[*:1] CN(C(=O)[C@@H]1CN(C[C@@H]1c1cccc(c1)C(F)(F)F)C(=O)c1ccco1)[*:1]
C=CCc1cccc2cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)c(=O)oc12 C=CC[*:1] O=C(c1ccccc1)N1CCN(CC1)C(=O)c1cc2cccc(c2oc1=O)[*:1]
C=CCc1cccc2cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)c(=O)oc12 c1ccc(cc1)[*:1] C=CCc1cccc2cc(C(=O)N3CCN(CC3)C(=O)[*:1])c(=O)oc12
CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)C(C)C CC(C)C[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)Nc1ccc2oc(=O)ccc2c1
CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)C(C)C CC(C)CC(=O)N[*:1] CC(C)[C@H](C(=O)Nc1ccc2oc(=O)ccc2c1)[*:1]
CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)C(C)C CC(C)[*:1] CC(C)[C@@H](NC(=O)C[*:1])C(=O)Nc1ccc2oc(=O)ccc2c1
CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)C(C)C CC(C)[*:1] CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)[*:1]
N#Cc1ccc(NCC(=O)NCC[C@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NCC(=O)NCC[C@H](O)[*:1]
O=C(Nc1cccc(OCCn2cccn2)c1)c1cc(-c2ccco2)on1 c1cnn(c1)[*:1] O=C(Nc1cccc(c1)OCC[*:1])c1cc(on1)-c1ccco1
O=C(Nc1cccc(OCCn2cccn2)c1)c1cc(-c2ccco2)on1 c1cnn(c1)CCO[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(on1)-c1ccco1
O=C(Nc1cccc(OCCn2cccn2)c1)c1cc(-c2ccco2)on1 c1cnn(c1)C[*:1] O=C(Nc1cccc(c1)OC[*:1])c1cc(on1)-c1ccco1
O=C(Nc1cccc(OCCn2cccn2)c1)c1cc(-c2ccco2)on1 c1coc(c1)[*:1] O=C(Nc1cccc(c1)OCCn1cccn1)c1cc(on1)[*:1]
O=C(Nc1cccc(OCCn2cccn2)c1)c1cc(-c2ccco2)on1 c1cnn(c1)CC[*:1] O=C(Nc1cccc(c1)O[*:1])c1cc(on1)-c1ccco1
COc1ncccc1CNC(=O)N(C)C[C@@H](C)O C[C@@H](O)[*:1] COc1ncccc1CNC(=O)N(C)C[*:1]
COc1ncccc1CNC(=O)N(C)C[C@@H](C)O C[C@@H](O)C[*:1] COc1ncccc1CNC(=O)N(C)[*:1]
CCOc1ccc(-n2c(-c3ccccc3)c(CC)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 CCOc1ccc(cc1)[*:1] CCc1c(-c2ccccc2)n(c2nc3c(c(=O)n(C)c(=O)n3C)n12)[*:1]
CCOc1ccc(-n2c(-c3ccccc3)c(CC)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 CCO[*:1] CCc1c(-c2ccccc2)n(-c2ccc(cc2)[*:1])c2nc3c(c(=O)n(C)c(=O)n3C)n12
CCOc1ccc(-n2c(-c3ccccc3)c(CC)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1c(c(CC)n2c3c(=O)n(C)c(=O)n(C)c3nc12)[*:1]
Cc1nnnn1-c1cccc(NC(=O)c2ccc(COc3ccccc3)o2)c1 c1ccc(cc1)[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)c1ccc(CO[*:1])o1
Cc1nnnn1-c1cccc(NC(=O)c2ccc(COc3ccccc3)o2)c1 Cc1nnnn1[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc(COc2ccccc2)o1
Cc1nnnn1-c1cccc(NC(=O)c2ccc(COc3ccccc3)o2)c1 c1ccc(cc1)O[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)c1ccc(C[*:1])o1
Cc1nnnn1-c1cccc(NC(=O)c2ccc(COc3ccccc3)o2)c1 c1ccc(cc1)OC[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)c1ccc(o1)[*:1]
CC[C@H](C)NC(=O)c1cc(-c2ccc(F)cc2)no1 CC[C@H](C)[*:1] O=C(N[*:1])c1cc(no1)-c1ccc(F)cc1
CCNC(=O)c1ccc(NCc2ncccc2C)nn1 CCNC(=O)[*:1] Cc1cccnc1CNc1ccc(nn1)[*:1]
C=CCSC1=NC(=O)[C@H]2C(=N1)OC(N)=C(C#N)[C@H]2C(C)C CC(C)[*:1] C=CCSC1=NC(=O)[C@H]2C(=N1)OC(N)=C(C#N)[C@@H]2[*:1]
C=CCSC1=NC(=O)[C@H]2C(=N1)OC(N)=C(C#N)[C@H]2C(C)C C=CC[*:1] CC(C)[C@@H]1C(C#N)=C(N)OC2=NC(=NC(=O)[C@@H]21)S[*:1]
CC(C)Cc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)s1 CC(C)[*:1] O=C1OC(=N/C1=C/c1ccc(C[*:1])s1)c1ccccc1
CC(C)Cc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)s1 CC(C)C[*:1] O=C1OC(=N/C1=C/c1ccc(s1)[*:1])c1ccccc1
CC(C)Cc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)s1 c1ccc(cc1)[*:1] CC(C)Cc1ccc(/C=C2/N=C(OC2=O)[*:1])s1
CN(Cc1ccncc1)C(=O)CNC(=O)NCc1ccc(F)cc1 c1cc(ccn1)C[*:1] CN(C(=O)CNC(=O)NCc1ccc(F)cc1)[*:1]
CN(Cc1ccncc1)C(=O)CNC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1ccncc1)C(=O)CNC(=O)NC[*:1]
CN(Cc1ccncc1)C(=O)CNC(=O)NCc1ccc(F)cc1 c1cc(ccn1)[*:1] CN(C[*:1])C(=O)CNC(=O)NCc1ccc(F)cc1
CN(Cc1ccncc1)C(=O)CNC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CN(Cc1ccncc1)C(=O)CNC(=O)N[*:1]
COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)CSc1ccccn1 c1ccc(nc1)S[*:1] COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)C[*:1]
COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)CSc1ccccn1 c1ccc(nc1)[*:1] COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)CS[*:1]
COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)CSc1ccccn1 COC(=O)[*:1] O=C(CSc1ccccn1)N1CC[C@H](O)C[C@@H]1[*:1]
CCn1c(S[C@@H]2C[C@@H](C)OC2=O)nnc1-c1ccccc1 c1ccc(cc1)[*:1] CCn1c(nnc1[*:1])S[C@@H]1C[C@@H](C)OC1=O
CCC1(CNC(=O)c2scnc2C2CC2)CCC1 C1CC1[*:1] CCC1(CCC1)CNC(=O)c1scnc1[*:1]
CCC1(CNC(=O)c2scnc2C2CC2)CCC1 CCC1(CCC1)[*:1] O=C(NC[*:1])c1scnc1C1CC1
CCOc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CO3)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2OCC(=O)N(Cc3ccc(F)cc3)c2c1
CCOc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CO3)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)NC(=O)c1ccc2OCC(=O)N(C[*:1])c2c1
CCOc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CO3)cc1 Fc1ccc(cc1)C[*:1] CCOc1ccc(cc1)NC(=O)c1ccc2OCC(=O)N(c2c1)[*:1]
CCOc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CO3)cc1 CCOc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc2OCC(=O)N(Cc3ccc(F)cc3)c2c1
CN(Cc1cnn(C)c1)C(=O)c1ccccc1Cn1cccn1 c1cnn(c1)[*:1] CN(Cc1cnn(C)c1)C(=O)c1ccccc1C[*:1]
CN(Cc1cnn(C)c1)C(=O)c1ccccc1Cn1cccn1 c1cnn(c1)C[*:1] CN(Cc1cnn(C)c1)C(=O)c1ccccc1[*:1]
CN(Cc1cnn(C)c1)C(=O)c1ccccc1Cn1cccn1 Cn1cc(cn1)C[*:1] CN(C(=O)c1ccccc1Cn1cccn1)[*:1]
CN(Cc1cnn(C)c1)C(=O)c1ccccc1Cn1cccn1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)c1ccccc1Cn1cccn1
CCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)cc1 CCCO[*:1] O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(cc1)[*:1]
CCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](CO)(O4)[C@@H]3C2=O)cc1 CCC[*:1] O=C1[C@H]2[C@H]3C=C[C@](CO)(O3)[C@@H]2C(=O)N1c1ccc(cc1)O[*:1]
Cc1csc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(C)C2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)[*:1]
O=C(COc1ccccc1F)Nc1nnc(C2CCCCC2)s1 Fc1ccccc1[*:1] O=C(CO[*:1])Nc1nnc(s1)C1CCCCC1
O=C(COc1ccccc1F)Nc1nnc(C2CCCCC2)s1 C1CCC(CC1)[*:1] O=C(COc1ccccc1F)Nc1nnc(s1)[*:1]
CC[C@H]1COCCN1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 CS(=O)(=O)[*:1] CC[C@H]1COCCN1C(=O)N[C@@H](C)c1ccc(c(F)c1)[*:1]
CC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 CC(C)[*:1] Cn1nc(cc1NC(=O)CN(C(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1])C(C)(C)C
CC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(C)N(CC(=O)Nc1cc(nn1C)C(C)(C)C)C(=O)c1ccc(Cl)c(c1)[*:1]
CC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])c1cc(ccc1Cl)[*:1] CC(C)N(CC(=O)Nc1cc(nn1C)C(C)(C)C)C(=O)[*:1]
CC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 CC(C)(C)[*:1] CC(C)N(CC(=O)Nc1cc(nn1C)[*:1])C(=O)c1ccc(Cl)c(c1)[N+](=O)[O-]
CC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 Cn1nc(cc1[*:1])C(C)(C)C CC(C)N(CC(=O)N[*:1])C(=O)c1ccc(Cl)c(c1)[N+](=O)[O-]
Cc1c(Cl)cccc1NC(=O)CNC(=O)CCCc1nc2ccccc2s1 Cc1c(Cl)cccc1[*:1] O=C(CCCc1nc2ccccc2s1)NCC(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)CNC(=O)CCCc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] Cc1c(Cl)cccc1NC(=O)CNC(=O)CCC[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1ccccc1=O c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CNC(=O)Cn1ccccc1=O)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1ccccc1=O O=c1ccccn1[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1ccccc1=O c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)Cn1ccccc1=O
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1ccccc1=O O=c1ccccn1C[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[*:1]
C[C@@H](Sc1cc(-n2ccnc2)ncn1)c1c(F)cccc1F c1cn(cn1)[*:1] C[C@@H](Sc1cc(ncn1)[*:1])c1c(F)cccc1F
CC(=O)C(C(C)=O)[C@@H](Nc1ccccc1)c1ccccc1 CC(=O)C(C(C)=O)[*:1] c1ccc(cc1)N[C@@H](c1ccccc1)[*:1]
CC(=O)C(C(C)=O)[C@@H](Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)C(C(C)=O)[C@@H](Nc1ccccc1)[*:1]
CC(=O)C(C(C)=O)[C@@H](Nc1ccccc1)c1ccccc1 c1ccc(cc1)N[*:1] CC(=O)C(C(C)=O)[C@@H](c1ccccc1)[*:1]
CC(=O)C(C(C)=O)[C@@H](Nc1ccccc1)c1ccccc1 CC(=O)[*:1] CC(=O)C([C@@H](Nc1ccccc1)c1ccccc1)[*:1]
CC(=O)C(C(C)=O)[C@@H](Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)C(C(C)=O)[C@@H](N[*:1])c1ccccc1
CN(C)c1cc[nH+]cc1NCc1cc(C(N)=O)cs1 NC(=O)[*:1] CN(C)c1cc[nH+]cc1NCc1cc(cs1)[*:1]
CN(C)c1cc[nH+]cc1NCc1cc(C(N)=O)cs1 CN(C)[*:1] NC(=O)c1csc(c1)CNc1c[nH+]ccc1[*:1]
Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCCC[C@@H]3C)c12 C1CC1[*:1] Cc1nn(Cc2ccccc2)c2nc(cc(C(=O)N3CCCC[C@@H]3C)c12)[*:1]
Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCCC[C@@H]3C)c12 c1ccc(cc1)C[*:1] Cc1nn(c2nc(cc(C(=O)N3CCCC[C@@H]3C)c12)C1CC1)[*:1]
Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCCC[C@@H]3C)c12 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c2nc(cc(C(=O)N3CCCC[C@@H]3C)c12)C1CC1
COc1ccccc1/C(C)=C/C(=O)N1CCC[C@H]1C(N)=O NC(=O)[*:1] COc1ccccc1/C(C)=C/C(=O)N1CCC[C@@H]1[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)NCC2(CO)CC2)cc1 CCC(=O)N[*:1] O=S(=O)(NCC1(CO)CC1)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)NCC2(CO)CC2)cc1 OCC1(CC1)[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)NC[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)NCC2(CO)CC2)cc1 OCC1(CC1)C[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
CCOC(=O)c1sc2cccc(F)c2c1CN1C(=O)N[C@](C)(c2ccco2)C1=O c1coc(c1)[*:1] CCOC(=O)c1sc2cccc(F)c2c1CN1C(=O)N[C@](C)(C1=O)[*:1]
CCOC(=O)c1sc2cccc(F)c2c1CN1C(=O)N[C@](C)(c2ccco2)C1=O CCOC(=O)[*:1] C[C@@]1(NC(=O)N(Cc2c(sc3cccc(F)c23)[*:1])C1=O)c1ccco1
CCCOc1ccc([C@H]2C[NH+]=C(N)N2C(C)C)cc1 CCC[*:1] CC(C)N1C(N)=[NH+]C[C@@H]1c1ccc(cc1)O[*:1]
CCCOc1ccc([C@H]2C[NH+]=C(N)N2C(C)C)cc1 CC(C)[*:1] CCCOc1ccc(cc1)[C@H]1C[NH+]=C(N)N1[*:1]
CCCOc1ccc([C@H]2C[NH+]=C(N)N2C(C)C)cc1 CCCO[*:1] CC(C)N1C(N)=[NH+]C[C@@H]1c1ccc(cc1)[*:1]
COc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 COc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N([C@@H]1C=CS(=O)(=O)C1)[*:1]
COc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1)N([C@@H]1C=CS(=O)(=O)C1)S(=O)(=O)[*:1]
COc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)N([C@@H]1C=CS(=O)(=O)C1)S(=O)(=O)c1ccc(cc1)[*:1]
Cc1cccc(NC(=S)N(Cc2ccco2)C[C@H]2CCCO2)c1Cl Cc1cccc(c1Cl)[*:1] S=C(N[*:1])N(Cc1ccco1)C[C@H]1CCCO1
Cc1cccc(NC(=S)N(Cc2ccco2)C[C@H]2CCCO2)c1Cl c1coc(c1)[*:1] Cc1cccc(NC(=S)N(C[C@H]2CCCO2)C[*:1])c1Cl
Cc1cccc(NC(=S)N(Cc2ccco2)C[C@H]2CCCO2)c1Cl c1coc(c1)C[*:1] Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[*:1])c1Cl
Cc1cccc(NC(=S)N(Cc2ccco2)C[C@H]2CCCO2)c1Cl C1CO[C@H](C1)C[*:1] Cc1cccc(NC(=S)N(Cc2ccco2)[*:1])c1Cl
Cc1cccc(NC(=S)N(Cc2ccco2)C[C@H]2CCCO2)c1Cl C1CO[C@H](C1)[*:1] Cc1cccc(NC(=S)N(Cc2ccco2)C[*:1])c1Cl
Cc1ccc(NC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)s1 CC(C)(C)[*:1] Cc1ccc(NC(=O)N[C@H]2CC(=O)N(C2)[*:1])s1
Cc1ccc(NC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)s1 Cc1ccc(s1)[*:1] CC(C)(C)N1C[C@H](CC1=O)NC(=O)N[*:1]
Cc1cnc(CCN(C)Cc2c(Cl)nc3ccccn23)s1 Cc1cnc(C[*:1])s1 CN(Cc1c(Cl)nc2ccccn12)C[*:1]
Cc1cnc(CCN(C)Cc2c(Cl)nc3ccccn23)s1 Cc1cnc(s1)[*:1] CN(CC[*:1])Cc1c(Cl)nc2ccccn12
CCn1ccc(NC(=O)c2cc(=O)c3ccc(OC)cc3o2)n1 CCn1ccc(n1)[*:1] COc1ccc2c(=O)cc(oc2c1)C(=O)N[*:1]
CCOc1cc(Nn2c(C)ccc2C)nc(C)n1 CCO[*:1] Cc1nc(cc(n1)[*:1])Nn1c(C)ccc1C
Cc1ccc(C(=O)N2CCc3cc(F)ccc3[C@@H]2C)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCc2cc(F)ccc2[C@@H]1C
O=C(Cc1ccccc1)N1CCC[C@H]1/C([O-])=N/S(=O)(=O)c1cccs1 c1ccc(cc1)C[*:1] O=C(N1CCC[C@H]1/C([O-])=N/S(=O)(=O)c1cccs1)[*:1]
O=C(Cc1ccccc1)N1CCC[C@H]1/C([O-])=N/S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(Cc1ccccc1)N1CCC[C@H]1/C([O-])=N/S(=O)(=O)[*:1]
O=C(Cc1ccccc1)N1CCC[C@H]1/C([O-])=N/S(=O)(=O)c1cccs1 c1ccc(cc1)[*:1] O=C(C[*:1])N1CCC[C@H]1/C([O-])=N/S(=O)(=O)c1cccs1
O=C([O-])CCCc1nc2cc(Cl)ccc2[nH]1 O=C([O-])CC[*:1] Clc1ccc2[nH]c(C[*:1])nc2c1
O=C([O-])CCCc1nc2cc(Cl)ccc2[nH]1 O=C([O-])[*:1] Clc1ccc2[nH]c(CCC[*:1])nc2c1
O=C([O-])CCCc1nc2cc(Cl)ccc2[nH]1 O=C([O-])C[*:1] Clc1ccc2[nH]c(CC[*:1])nc2c1
CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+]2CCCCC2)c1=O)CCC3 CCOC(=O)C[*:1] O=c1c2c3CCCc3sc2n(CC[NH+]2CCCCC2)c(=O)n1[*:1]
CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+]2CCCCC2)c1=O)CCC3 CCOC(=O)[*:1] O=c1c2c3CCCc3sc2n(CC[NH+]2CCCCC2)c(=O)n1C[*:1]
CCNC(=O)c1cccc(CNc2cc(C)nc3ncnn23)c1 CCNC(=O)[*:1] Cc1cc(NCc2cccc(c2)[*:1])n2ncnc2n1
CCOC(=O)C1CCN(C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)CC1 CCOC(=O)[*:1] Cc1sc2ncnc(c2c1C)N1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)Nc1nc(C)c(-c2ccccc2)s1 CCC[*:1] Cc1nc(NC(=O)[C@@H](C[*:1])NC(N)=O)sc1-c1ccccc1
CCCC[C@@H](NC(N)=O)C(=O)Nc1nc(C)c(-c2ccccc2)s1 c1ccc(cc1)[*:1] CCCC[C@@H](NC(N)=O)C(=O)Nc1nc(C)c(s1)[*:1]
CCCC[C@@H](NC(N)=O)C(=O)Nc1nc(C)c(-c2ccccc2)s1 CCCC[*:1] Cc1nc(NC(=O)[C@H](NC(N)=O)[*:1])sc1-c1ccccc1
CCCC[C@@H](NC(N)=O)C(=O)Nc1nc(C)c(-c2ccccc2)s1 NC(=O)N[*:1] CCCC[C@@H](C(=O)Nc1nc(C)c(s1)-c1ccccc1)[*:1]
COC(=O)c1ccccc1C[NH+](CC(C)(C)O)C(C)C COC(=O)[*:1] CC(C)[NH+](Cc1ccccc1[*:1])CC(C)(C)O
COC(=O)c1ccccc1C[NH+](CC(C)(C)O)C(C)C CC(C)(O)[*:1] COC(=O)c1ccccc1C[NH+](C[*:1])C(C)C
COC(=O)c1ccccc1C[NH+](CC(C)(C)O)C(C)C CC(C)[*:1] COC(=O)c1ccccc1C[NH+](CC(C)(C)O)[*:1]
COC(=O)c1ccccc1C[NH+](CC(C)(C)O)C(C)C CC(C)(O)C[*:1] COC(=O)c1ccccc1C[NH+](C(C)C)[*:1]
CCN[C@H](C[NH+](C)C)c1cc(Cl)cnc1N CCN[*:1] C[NH+](C)C[C@H](c1cc(Cl)cnc1N)[*:1]
C[C@@H](CCn1cncn1)[NH2+][C@@H]1CC(=O)N(CC(F)(F)F)C1 c1ncn(n1)[*:1] C[C@@H](CC[*:1])[NH2+][C@@H]1CC(=O)N(C1)CC(F)(F)F
C[C@@H](CCn1cncn1)[NH2+][C@@H]1CC(=O)N(CC(F)(F)F)C1 c1ncn(CC[*:1])n1 C[C@@H]([NH2+][C@@H]1CC(=O)N(C1)CC(F)(F)F)[*:1]
C[C@@H](CCn1cncn1)[NH2+][C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] C[C@@H](CCn1cncn1)[NH2+][C@@H]1CC(=O)N(C1)C[*:1]
C[C@@H](CCn1cncn1)[NH2+][C@@H]1CC(=O)N(CC(F)(F)F)C1 c1ncn(C[*:1])n1 C[C@@H](C[*:1])[NH2+][C@@H]1CC(=O)N(C1)CC(F)(F)F
C[C@@H](CCn1cncn1)[NH2+][C@@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] C[C@@H](CCn1cncn1)[NH2+][C@@H]1CC(=O)N(C1)[*:1]
COc1cccc(-c2nn(-c3cc4c(cc3C(N)=O)OCO4)cc2C(=O)[O-])c1 NC(=O)[*:1] COc1cccc(c1)-c1nn(cc1C(=O)[O-])-c1cc2OCOc2cc1[*:1]
COc1cccc(-c2nn(-c3cc4c(cc3C(N)=O)OCO4)cc2C(=O)[O-])c1 O=C([O-])[*:1] COc1cccc(c1)-c1nn(cc1[*:1])-c1cc2OCOc2cc1C(N)=O
COc1cccc(-c2nn(-c3cc4c(cc3C(N)=O)OCO4)cc2C(=O)[O-])c1 COc1cccc(c1)[*:1] NC(=O)c1cc2OCOc2cc1-n1cc(C(=O)[O-])c(n1)[*:1]
C[C@@H](COc1ccc(F)cc1)NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 Fc1ccc(cc1)[*:1] C[C@@H](CO[*:1])NC(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C
CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 CCC[*:1] C1CC[C@H]([NH2+]C1)[C@H]1CCCC[C@H]1[NH2+][*:1]
Cc1ccc(-n2c(SCC(=O)N(C)CCC#N)nc3ccccc3c2=O)cc1 Cc1ccc(cc1)[*:1] CN(CCC#N)C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
Cc1ccc(-n2c(SCC(=O)N(C)CCC#N)nc3ccccc3c2=O)cc1 N#CCC[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)N(C)[*:1]
Cc1ccc(-n2c(SCC(=O)N(C)CCC#N)nc3ccccc3c2=O)cc1 CN(CCC#N)C(=O)C[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)S[*:1]
Cc1ccc(-n2c(SCC(=O)N(C)CCC#N)nc3ccccc3c2=O)cc1 N#CC[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)SCC(=O)N(C)C[*:1]
Cc1ccc(-n2c(SCC(=O)N(C)CCC#N)nc3ccccc3c2=O)cc1 CN(CCC#N)C(=O)[*:1] Cc1ccc(cc1)-n1c(nc2ccccc2c1=O)SC[*:1]
COc1ccccc1[C@H]1CCCN1C(=O)CCN1C(=O)c2ccccc2C1=O COc1ccccc1[*:1] O=C1c2ccccc2C(=O)N1CCC(=O)N1CCC[C@@H]1[*:1]
CN(C)/C=N/c1nc(O)c2ncn([C@H]3C[C@H](O)[C@H](CO)O3)c2n1 CN(C)C=N[*:1] OC[C@@H]1O[C@H](C[C@@H]1O)n1cnc2c(O)nc(nc21)[*:1]
O=C([O-])c1c(C(=O)N2CCc3ccccc32)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C([O-])c1c(cccc1[*:1])C(=O)N1CCc2ccccc21
O=C([O-])c1c(C(=O)N2CCc3ccccc32)cccc1[N+](=O)[O-] O=C([O-])[*:1] O=C(c1cccc(c1[*:1])[N+](=O)[O-])N1CCc2ccccc21
CC1(C)C[C@H](NC(=O)CCc2[nH]nc3c2CCCC3)C2=CNN(c3ccccc3)[C@@H]2C1 C1CCc2c(C1)n[nH]c2[*:1] CC1(C)C[C@H](NC(=O)CC[*:1])C2=CNN(c3ccccc3)[C@@H]2C1
CC1(C)C[C@H](NC(=O)CCc2[nH]nc3c2CCCC3)C2=CNN(c3ccccc3)[C@@H]2C1 c1ccc(cc1)[*:1] CC1(C)C[C@H](NC(=O)CCc2[nH]nc3CCCCc32)C2=CNN([C@@H]2C1)[*:1]
CC1(C)C[C@H](NC(=O)CCc2[nH]nc3c2CCCC3)C2=CNN(c3ccccc3)[C@@H]2C1 C1CCc2c(C1)n[nH]c2C[*:1] CC1(C)C[C@H](NC(=O)C[*:1])C2=CNN(c3ccccc3)[C@@H]2C1
C[C@@H](CCN1CCOCC1)NC(=O)[C@@H](C)Oc1cccc(C#N)c1 C1CN(CCO1)[*:1] C[C@@H](CC[*:1])NC(=O)[C@@H](C)Oc1cccc(C#N)c1
C[C@@H](CCN1CCOCC1)NC(=O)[C@@H](C)Oc1cccc(C#N)c1 C1CN(CCO1)CC[*:1] C[C@@H](NC(=O)[C@@H](C)Oc1cccc(C#N)c1)[*:1]
C[C@@H](CCN1CCOCC1)NC(=O)[C@@H](C)Oc1cccc(C#N)c1 C1CN(CCO1)C[*:1] C[C@@H](C[*:1])NC(=O)[C@@H](C)Oc1cccc(C#N)c1
C[C@@H](CCN1CCOCC1)NC(=O)[C@@H](C)Oc1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@@H](CCN1CCOCC1)NC(=O)[C@@H](C)O[*:1]
Cc1nc(CC(=O)N2CCC(C(=O)N(C)C)CC2)cs1 Cc1nc(cs1)[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)C[*:1]
Cc1nc(CC(=O)N2CCC(C(=O)N(C)C)CC2)cs1 CN(C)C(=O)[*:1] Cc1nc(cs1)CC(=O)N1CCC(CC1)[*:1]
COc1ccc(OCCNc2ccccc2C(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)OCCNc1ccccc1[*:1]
CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(C)cc1 CCC(=O)N[*:1] CSCC[C@@H](C(=O)Nc1ccc(C)cc1)[*:1]
CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(C)cc1 CSC[*:1] CCC(=O)N[C@@H](C[*:1])C(=O)Nc1ccc(C)cc1
CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(C)cc1 CSCC[*:1] CCC(=O)N[C@@H](C(=O)Nc1ccc(C)cc1)[*:1]
C[NH+](C)Cc1ccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 c1ccc(cc1)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)N[C@@H](C(N)=O)[*:1]
C[NH+](C)Cc1ccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 NC(=O)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)N[C@@H](c1ccccc1)[*:1]
Cn1ncnc1CNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] Cn1ncnc1CNC(=O)N1CCO[C@H](C1)[*:1]
Cn1ncnc1CNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 Cn1ncnc1[*:1] O=C(NC[*:1])N1CCO[C@@H](C1)c1ccc(F)c(F)c1
Cn1ncnc1CNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 Cn1ncnc1C[*:1] O=C(N[*:1])N1CCO[C@@H](C1)c1ccc(F)c(F)c1
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(C(=O)C2CC2)CC1 O=S(=O)(N1CCCC1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)C(=O)C1CC1
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(C(=O)C2CC2)CC1 C1CC1[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)N1CCN(CC1)C(=O)[*:1]
COc1ccccc1CNC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 COc1ccccc1[*:1] O=C(NC[*:1])C1CCN(CC1)c1ccc2nnc(-c3ccc(Cl)cc3)n2n1
COc1ccccc1CNC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 Clc1ccc(cc1)[*:1] COc1ccccc1CNC(=O)C1CCN(CC1)c1ccc2nnc(n2n1)[*:1]
COc1ccccc1CNC(=O)C1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 COc1ccccc1C[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc2nnc(-c3ccc(Cl)cc3)n2n1
CN1C(=O)C[C@H](C(=O)NCc2cscn2)[C@@H]1c1cccc(Cl)c1 c1nc(cs1)C[*:1] CN1C(=O)C[C@H](C(=O)N[*:1])[C@@H]1c1cccc(Cl)c1
CN1C(=O)C[C@H](C(=O)NCc2cscn2)[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN1C(=O)C[C@H](C(=O)NCc2cscn2)[C@H]1[*:1]
CN1C(=O)C[C@H](C(=O)NCc2cscn2)[C@@H]1c1cccc(Cl)c1 c1nc(cs1)[*:1] CN1C(=O)C[C@H](C(=O)NC[*:1])[C@@H]1c1cccc(Cl)c1
CCC[C@H](C)N1C[C@H](c2nc(-c3ccccc3OC)no2)CC1=O CCC[C@H](C)[*:1] COc1ccccc1-c1noc(n1)[C@@H]1CC(=O)N(C1)[*:1]
CCC[C@H](C)N1C[C@H](c2nc(-c3ccccc3OC)no2)CC1=O COc1ccccc1[*:1] CCC[C@H](C)N1C[C@@H](CC1=O)c1nc(no1)[*:1]
CCC[C@H](C)N1C[C@H](c2nc(-c3ccccc3OC)no2)CC1=O CCC[*:1] COc1ccccc1-c1noc(n1)[C@@H]1CC(=O)N(C1)[C@@H](C)[*:1]
Cc1cc(C)n(CCNC(=O)CCSc2ccccc2)n1 c1ccc(cc1)S[*:1] Cc1cc(C)n(CCNC(=O)CC[*:1])n1
Cc1cc(C)n(CCNC(=O)CCSc2ccccc2)n1 Cc1cc(C)n(n1)[*:1] O=C(CCSc1ccccc1)NCC[*:1]
Cc1cc(C)n(CCNC(=O)CCSc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(CCNC(=O)CCS[*:1])n1
C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)c(c1)[*:1]
O=[N+]([O-])c1cccc(Cn2nnc(-c3ccccc3)n2)c1 O=[N+]([O-])[*:1] c1ccc(cc1)-c1nnn(Cc2cccc(c2)[*:1])n1
O=[N+]([O-])c1cccc(Cn2nnc(-c3ccccc3)n2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1cccc(c1)Cn1nnc(n1)[*:1]
Cc1cc(C)cc(CSC[C@H](C)/C(N)=N/O)c1 N/C(=N\O)[*:1] Cc1cc(C)cc(c1)CSC[C@H](C)[*:1]
C[C@H](NC(=O)N(CC(=O)[O-])C(C)(C)C)c1nncn1C O=C([O-])C[*:1] C[C@H](NC(=O)N(C(C)(C)C)[*:1])c1nncn1C
C[C@H](NC(=O)N(CC(=O)[O-])C(C)(C)C)c1nncn1C CC(C)(C)[*:1] C[C@H](NC(=O)N(CC(=O)[O-])[*:1])c1nncn1C
C[C@H](NC(=O)N(CC(=O)[O-])C(C)(C)C)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)N(CC(=O)[O-])C(C)(C)C)[*:1]
C[C@H](NC(=O)N(CC(=O)[O-])C(C)(C)C)c1nncn1C O=C([O-])[*:1] C[C@H](NC(=O)N(C[*:1])C(C)(C)C)c1nncn1C
C[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)[C@@H]1C O=[N+]([O-])[*:1] C[C@@H]1CCC[C@@H](Nc2ncc(cc2Br)[*:1])[C@@H]1C
Cc1cc(OCC(=O)NCCn2cnc(-c3ccccc3)cc2=O)ccc1Cl c1ccc(cc1)[*:1] Cc1cc(ccc1Cl)OCC(=O)NCCn1cnc(cc1=O)[*:1]
Cc1cc(OCC(=O)NCCn2cnc(-c3ccccc3)cc2=O)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C(CO[*:1])NCCn1cnc(cc1=O)-c1ccccc1
Cc1cc(OCC(=O)NCCn2cnc(-c3ccccc3)cc2=O)ccc1Cl Cc1cc(ccc1Cl)O[*:1] O=C(C[*:1])NCCn1cnc(cc1=O)-c1ccccc1
Cc1ccccc1-n1ncc(C(=O)Nc2nccn(C)c2=O)c1C Cn1ccnc(c1=O)[*:1] Cc1ccccc1-n1ncc(C(=O)N[*:1])c1C
Cc1ccccc1-n1ncc(C(=O)Nc2nccn(C)c2=O)c1C Cc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)Nc1nccn(C)c1=O
C[C@H](C(=O)NCC1CCCCC1)[S@](=O)Cc1coc(-c2cccs2)n1 C1CCC(CC1)C[*:1] C[C@H](C(=O)N[*:1])[S@](=O)Cc1coc(n1)-c1cccs1
C[C@H](C(=O)NCC1CCCCC1)[S@](=O)Cc1coc(-c2cccs2)n1 C1CCC(CC1)[*:1] C[C@H](C(=O)NC[*:1])[S@](=O)Cc1coc(n1)-c1cccs1
C[C@H](C(=O)NCC1CCCCC1)[S@](=O)Cc1coc(-c2cccs2)n1 c1csc(c1)[*:1] C[C@H](C(=O)NCC1CCCCC1)[S@](=O)Cc1coc(n1)[*:1]
C[C@H]1CCC[C@H](OC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 c1csc(c1)[*:1] C[C@H]1CCC[C@@H](C1)OC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3c(C)nc4ccccn4c3=O)n2C)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1nc2ccccn2c(=O)c1Cc1nnc(SCC(=O)N[*:1])n1C
CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3c(C)nc4ccccn4c3=O)n2C)cc1 CC(=O)[*:1] Cc1nc2ccccn2c(=O)c1Cc1nnc(SCC(=O)Nc2ccc(cc2)[*:1])n1C
COC(=O)[C@]1(N)CC[C@@H](Oc2ccc([N+](=O)[O-])cc2F)C1 O=[N+]([O-])[*:1] COC(=O)[C@]1(N)CC[C@H](C1)Oc1ccc(cc1F)[*:1]
COC(=O)[C@]1(N)CC[C@@H](Oc2ccc([N+](=O)[O-])cc2F)C1 COC(=O)[*:1] N[C@@]1(CC[C@H](C1)Oc1ccc(cc1F)[N+](=O)[O-])[*:1]
C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2cccc3cn[nH]c23)CC1 c1cc(c2[nH]ncc2c1)[*:1] C[C@@H](c1nc(no1)-c1cccs1)N1CC[NH+](CC1)C[*:1]
C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2cccc3cn[nH]c23)CC1 c1csc(c1)[*:1] C[C@@H](c1nc(no1)[*:1])N1CC[NH+](CC1)Cc1cccc2cn[nH]c12
O=C(CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1cccs1)N[*:1]
O=C(CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1)Nc1ccc(F)cc1 c1csc(c1)[*:1] O=C(CN1CCN(CC1)C(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1])Nc1ccc(F)cc1
O=C(CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1)Nc1ccc(F)cc1 O=C(C[*:1])Nc1ccc(F)cc1 O=C([C@@H]1CCCN(C1)S(=O)(=O)c1cccs1)N1CCN(CC1)[*:1]
O=C(CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=C([C@@H]1CCCN(C1)S(=O)(=O)c1cccs1)N1CCN(CC1)C[*:1]
CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cnc2ccccc2n1 CCC[*:1] Cc1ccccc1NC(=O)CN(C(=O)c1cnc2ccccc2n1)[*:1]
CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cnc2ccccc2n1 Cc1ccccc1[*:1] CCCN(CC(=O)N[*:1])C(=O)c1cnc2ccccc2n1
COCC[S@@](=O)CC(=O)N[C@H](C)c1ccc2ccccc2c1 COCC[*:1] C[C@@H](NC(=O)C[S@](=O)[*:1])c1ccc2ccccc2c1
COCC[S@@](=O)CC(=O)N[C@H](C)c1ccc2ccccc2c1 COC[*:1] C[C@@H](NC(=O)C[S@](=O)C[*:1])c1ccc2ccccc2c1
Cc1cc2cc(C(F)(F)F)nc-2n(CC2(O)CCN(S(=O)(=O)N(C)C)CC2)c1 FC(F)(F)[*:1] Cc1cc2cc(nc-2n(c1)CC1(O)CCN(CC1)S(=O)(=O)N(C)C)[*:1]
Cc1ccc(Nc2nnc(SCCNS(C)(=O)=O)s2)cc1C CS(=O)(=O)NC[*:1] Cc1ccc(cc1C)Nc1nnc(SC[*:1])s1
Cc1ccc(Nc2nnc(SCCNS(C)(=O)=O)s2)cc1C CS(=O)(=O)N[*:1] Cc1ccc(cc1C)Nc1nnc(SCC[*:1])s1
Cc1ccc(Nc2nnc(SCCNS(C)(=O)=O)s2)cc1C CS(=O)(=O)NCC[*:1] Cc1ccc(cc1C)Nc1nnc(S[*:1])s1
COC(=O)c1cc(F)ccc1C[NH+]1CCSC(C)(C)C1 COC(=O)[*:1] CC1(C)C[NH+](CCS1)Cc1ccc(F)cc1[*:1]
COCc1ccccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 COC[*:1] O=C([O-])[C@@H]1CCCN(C1)C(=O)c1ccccc1[*:1]
COCc1ccccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] COCc1ccccc1C(=O)N1CCC[C@@H](C1)[*:1]
CC(=O)NCNS(=O)(=O)C(F)(F)F FC(F)(F)[*:1] CC(=O)NCNS(=O)(=O)[*:1]
CC(=O)NCNS(=O)(=O)C(F)(F)F CC(=O)N[*:1] O=S(=O)(NC[*:1])C(F)(F)F
O=C(Nc1ccccc1)C1CCN(C(=O)c2cccc3cc[nH]c23)CC1 c1ccc(cc1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)c1cccc2cc[nH]c12
N#CCCCSc1nnc(-c2ccco2)o1 N#CCC[*:1] c1coc(c1)-c1nnc(o1)SC[*:1]
N#CCCCSc1nnc(-c2ccco2)o1 N#CC[*:1] c1coc(c1)-c1nnc(o1)SCC[*:1]
N#CCCCSc1nnc(-c2ccco2)o1 c1coc(c1)[*:1] N#CCCCSc1nnc(o1)[*:1]
N#CCCCSc1nnc(-c2ccco2)o1 N#CCCC[*:1] c1coc(c1)-c1nnc(o1)S[*:1]
COc1ccc2cc(C(=O)N(Cc3ccccc3)C(C)C)[nH]c2c1 CC(C)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N(Cc1ccccc1)[*:1]
COc1ccc2cc(C(=O)N(Cc3ccccc3)C(C)C)[nH]c2c1 c1ccc(cc1)C[*:1] COc1ccc2cc([nH]c2c1)C(=O)N(C(C)C)[*:1]
COc1ccc2cc(C(=O)N(Cc3ccccc3)C(C)C)[nH]c2c1 c1ccc(cc1)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N(C[*:1])C(C)C
CCSCC[NH+]1CCN(CCO)CC1 CCS[*:1] OCCN1CC[NH+](CC1)CC[*:1]
CCSCC[NH+]1CCN(CCO)CC1 OCC[*:1] CCSCC[NH+]1CCN(CC1)[*:1]
CCSCC[NH+]1CCN(CCO)CC1 CCSC[*:1] OCCN1CC[NH+](CC1)C[*:1]
Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 C(=C[*:1])c1ccccc1 Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)[*:1]
Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)C=C[*:1]
Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 Cc1cccc(C)c1[*:1] C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N(C)CC(=O)N[*:1]
Cc1csc([C@H]2CCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)n1 Cc1csc(n1)[*:1] O=C(Cc1ccc2OCCc2c1)N1CCC[C@@H](C1)[*:1]
CC(C)C1(C(=O)O[C@@H](C)C(=O)OC(C)(C)C)CC[NH2+]CC1 CC(C)(C)[*:1] CC(C)C1(CC[NH2+]CC1)C(=O)O[C@@H](C)C(=O)O[*:1]
CC(C)C1(C(=O)O[C@@H](C)C(=O)OC(C)(C)C)CC[NH2+]CC1 CC(C)[*:1] C[C@H](OC(=O)C1(CC[NH2+]CC1)[*:1])C(=O)OC(C)(C)C
CC(C)C1(C(=O)O[C@@H](C)C(=O)OC(C)(C)C)CC[NH2+]CC1 CC(C)(C)OC(=O)[*:1] CC(C)C1(CC[NH2+]CC1)C(=O)O[C@@H](C)[*:1]
CSc1cc(C(=O)CSc2nc(C)c(C)o2)ccc1NC(C)=O Cc1nc(oc1C)[*:1] CSc1cc(ccc1NC(C)=O)C(=O)CS[*:1]
CSc1cc(C(=O)CSc2nc(C)c(C)o2)ccc1NC(C)=O CC(=O)N[*:1] CSc1cc(ccc1[*:1])C(=O)CSc1nc(C)c(C)o1
CCNc1scc(-c2ccc(Cl)cc2)[n+]1N=C1CCCCCC1 CCN[*:1] Clc1ccc(cc1)-c1csc([n+]1N=C1CCCCCC1)[*:1]
CCNc1scc(-c2ccc(Cl)cc2)[n+]1N=C1CCCCCC1 Clc1ccc(cc1)[*:1] CCNc1scc([n+]1N=C1CCCCCC1)[*:1]
COc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C)cc1 COc1ccccc1[*:1] C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
COC(=O)c1cn(C(=O)c2ccc3c(c2)OCO3)c2ccccc12 COC(=O)[*:1] O=C(c1ccc2OCOc2c1)n1cc(c2ccccc21)[*:1]
CCO[C@@H](C)c1noc(CNc2cccc(C(=O)N3CCOCC3)c2)n1 CCO[*:1] C[C@@H](c1noc(CNc2cccc(c2)C(=O)N2CCOCC2)n1)[*:1]
CCO[C@@H](C)c1noc(CNc2cccc(C(=O)N3CCOCC3)c2)n1 O=C(N1CCOCC1)[*:1] CCO[C@@H](C)c1noc(CNc2cccc(c2)[*:1])n1
CCOc1cc(C)ccc1NC(=O)CSc1ccccc1F Fc1ccccc1[*:1] CCOc1cc(C)ccc1NC(=O)CS[*:1]
CCOc1cc(C)ccc1NC(=O)CSc1ccccc1F CCO[*:1] Cc1ccc(NC(=O)CSc2ccccc2F)c(c1)[*:1]
N#C/C(=C\[NH+]=c1\ccc2c(C(F)(F)F)cc(O)oc-2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])[*:1] N#C/C(=C\[NH+]=c1\ccc2-c(c1)oc(O)cc2C(F)(F)F)c1nc(cs1)-c1ccc(cc1)[*:1]
N#C/C(=C\[NH+]=c1\ccc2c(C(F)(F)F)cc(O)oc-2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=[N+]([O-])c1ccc(cc1)[*:1] N#C/C(=C\[NH+]=c1\ccc2-c(c1)oc(O)cc2C(F)(F)F)c1nc(cs1)[*:1]
N#C/C(=C\[NH+]=c1\ccc2c(C(F)(F)F)cc(O)oc-2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 FC(F)(F)[*:1] N#C/C(=C\[NH+]=c1\ccc2-c(c1)oc(O)cc2[*:1])c1nc(cs1)-c1ccc(cc1)[N+](=O)[O-]
CCn1cc[nH+]c1[C@H](F)C(=O)[O-] O=C([O-])[*:1] CCn1cc[nH+]c1[C@H](F)[*:1]
O=C([O-])c1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C(=O)[O-])C3=O)cc1 O=C([O-])c1ccc(cc1)O[*:1] O=C([O-])c1ccccc1N1C(=O)c2ccc(cc2C1=O)[*:1]
O=C([O-])c1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C(=O)[O-])C3=O)cc1 O=C([O-])[*:1] O=C([O-])c1ccccc1N1C(=O)c2ccc(cc2C1=O)Oc1ccc(cc1)[*:1]
O=C([O-])c1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C(=O)[O-])C3=O)cc1 O=C([O-])c1ccccc1[*:1] O=C([O-])c1ccc(cc1)Oc1ccc2C(=O)N(C(=O)c2c1)[*:1]
O=C([O-])c1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C(=O)[O-])C3=O)cc1 O=C([O-])[*:1] O=C([O-])c1ccc(cc1)Oc1ccc2C(=O)N(C(=O)c2c1)c1ccccc1[*:1]
O=C([O-])c1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C(=O)[O-])C3=O)cc1 O=C([O-])c1ccc(cc1)[*:1] O=C([O-])c1ccccc1N1C(=O)c2ccc(cc2C1=O)O[*:1]
CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@H](O)c1ccc(OC)cc1 CC[C@H](C)[*:1] COc1ccc(cc1)[C@@H](O)[C@H](C)[NH2+][C@H](C)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NC2CCCCC2)cc1 CCC(=O)N[*:1] O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(cc1)[*:1])NC1CCCCC1
CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NC2CCCCC2)cc1 O=C(NC1CCCCC1)[*:1] CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2[C@@H]1C[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NC2CCCCC2)cc1 CCC(=O)Nc1ccc(cc1)[*:1] O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)[*:1])NC1CCCCC1
CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NC2CCCCC2)cc1 O=C(C[*:1])NC1CCCCC1 CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2[C@H]1[*:1]
CCN(C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)C(C)(C)C(=O)[O-] CC(C)(C(=O)[O-])[*:1] CCN(C(=O)N1C[C@@H](C)[C@@H](C1)C(=O)OC)[*:1]
CCN(C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)C(C)(C)C(=O)[O-] COC(=O)[*:1] CCN(C(=O)N1C[C@@H](C)[C@H](C1)[*:1])C(C)(C)C(=O)[O-]
CCN(C(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1)C(C)(C)C(=O)[O-] O=C([O-])[*:1] CCN(C(=O)N1C[C@@H](C)[C@@H](C1)C(=O)OC)C(C)(C)[*:1]
Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2csc(-c3ccccc3)n2)c(F)c1 Fc1ccc(c(F)c1)[*:1] c1ccc(cc1)-c1nc(cs1)C[NH2+]Cc1c[nH]nc1[*:1]
Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2csc(-c3ccccc3)n2)c(F)c1 c1ccc(cc1)[*:1] Fc1ccc(c(F)c1)-c1n[nH]cc1C[NH2+]Cc1csc(n1)[*:1]
C[C@@H](CCc1ccccc1)CC(=O)NC1(C(N)=O)CCCC1 c1ccc(cc1)[*:1] C[C@@H](CC[*:1])CC(=O)NC1(CCCC1)C(N)=O
C[C@@H](CCc1ccccc1)CC(=O)NC1(C(N)=O)CCCC1 NC(=O)[*:1] C[C@@H](CCc1ccccc1)CC(=O)NC1(CCCC1)[*:1]
C[C@@H](CCc1ccccc1)CC(=O)NC1(C(N)=O)CCCC1 c1ccc(cc1)C[*:1] C[C@H](CC(=O)NC1(CCCC1)C(N)=O)C[*:1]
C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)ccc1O Fc1ccc(cc1F)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1cc(F)ccc1O
C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)ccc1O Oc1ccc(F)cc1[*:1] C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[*:1]
C[C@H](NC(=O)c1nccnc1N)c1cccc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@H](NC(=O)c1nccnc1N)c1cccc(c1)[*:1]
C[C@H](NC(=O)c1nccnc1N)c1cccc(N2CCCC2)c1 Nc1nccnc1[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)N1CCCC1
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3CN2C(=S)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3CN2C(=S)N1[*:1]
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3CN2C(=S)N1C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3CN2C(=S)N1C[*:1]
CO[C@@H](C)C(=O)/N=c1\[nH]nc2cc(C)ccn12 CO[C@@H](C)[*:1] Cc1ccn2/c(=N/C(=O)[*:1])[nH]nc2c1
O=C(c1ccccc1F)N1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 Fc1ccccc1[*:1] O=C(N1CCN(CC1)C(=O)[*:1])C1(CCC1)c1ccccc1
O=C(c1ccccc1F)N1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1F)N1CCN(CC1)C(=O)C1(CCC1)[*:1]
COc1ccc(Cl)cc1NC(=O)CN1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] COc1ccc(Cl)cc1NC(=O)CN1CCN(C1=O)[*:1]
Cc1cc(N/N=C/c2ccccc2[N+](=O)[O-])nc(N2CCOCC2)n1 O=[N+]([O-])[*:1] Cc1cc(nc(n1)N1CCOCC1)N/N=C/c1ccccc1[*:1]
Cc1cc(N/N=C/c2ccccc2[N+](=O)[O-])nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1cc(nc(n1)[*:1])N/N=C/c1ccccc1[N+](=O)[O-]
CCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCN(C(=O)c1cc(cn1C)S(=O)(=O)N1CCCC1)[*:1]
CCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccc(OC)cc1 O=S(=O)(N1CCCC1)[*:1] CCN(C(=O)c1cc(cn1C)[*:1])c1ccc(cc1)OC
CO[C@@H](CNCc1c[nH+]c2cc(C)ccn12)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNCc1c[nH+]c2cc(C)ccn12)[*:1]
C[C@@H](c1ccccc1)N(C)C(=O)CCc1c[nH]c2ccccc12 c1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)CCc1c[nH]c2ccccc12)[*:1]
O=C(COc1ccc2c(=O)c(Oc3ccc(F)cc3)coc2c1)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(COc1ccc2c(=O)c(coc2c1)Oc1ccc(F)cc1)N[*:1]
O=C(COc1ccc2c(=O)c(Oc3ccc(F)cc3)coc2c1)Nc1ccc2c(c1)OCCO2 Fc1ccc(cc1)O[*:1] O=C(COc1ccc2c(=O)c(coc2c1)[*:1])Nc1ccc2OCCOc2c1
O=C(COc1ccc2c(=O)c(Oc3ccc(F)cc3)coc2c1)Nc1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] O=C(COc1ccc2c(=O)c(coc2c1)O[*:1])Nc1ccc2OCCOc2c1
O=C(CSc1nnc(C[NH+]2CCOCC2)n1-c1ccccc1)Nc1nc2ccccc2s1 c1ccc(cc1)[*:1] O=C(CSc1nnc(C[NH+]2CCOCC2)n1[*:1])Nc1nc2ccccc2s1
O=C(CSc1nnc(C[NH+]2CCOCC2)n1-c1ccccc1)Nc1nc2ccccc2s1 c1ccc2sc(nc2c1)[*:1] O=C(CSc1nnc(C[NH+]2CCOCC2)n1-c1ccccc1)N[*:1]
Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)oc2ccccc23)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(Oc1ccc2c(c1)oc1ccccc12)[*:1]
CCNC(=O)CN(CC)c1ccc(C(=O)NC)n[nH+]1 CNC(=O)[*:1] CCNC(=O)CN(CC)c1ccc(n[nH+]1)[*:1]
CCNC(=O)CN(CC)c1ccc(C(=O)NC)n[nH+]1 CCNC(=O)C[*:1] CCN(c1ccc(n[nH+]1)C(=O)NC)[*:1]
CCNC(=O)CN(CC)c1ccc(C(=O)NC)n[nH+]1 CCNC(=O)[*:1] CCN(C[*:1])c1ccc(n[nH+]1)C(=O)NC
CC[C@@H](CCO)[NH2+]Cc1ccc(-c2cccc(F)c2)s1 OCC[*:1] CC[C@@H]([NH2+]Cc1ccc(s1)-c1cccc(F)c1)[*:1]
Nc1cc(C(=O)N/N=C/c2cccc(O)c2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Nc1cc(cc(c1)[*:1])C(=O)N/N=C/c1cccc(O)c1
Nc1cc(C(=O)N/N=C/c2cccc(O)c2)cc([N+](=O)[O-])c1 Oc1cccc(c1)[*:1] Nc1cc(cc(c1)[N+](=O)[O-])C(=O)NN=C[*:1]
CC(C)C(=O)NC[C@H](C)Nc1ccccc1 CC(C)[*:1] C[C@@H](CNC(=O)[*:1])Nc1ccccc1
CCc1cccc(CC)c1NC(=O)CN(C)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] CCc1cccc(CC)c1NC(=O)C[*:1]
COc1ccc2cc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)c(C)nc2c1 Fc1ccc(cc1)[*:1] COc1ccc2cc(C(=O)N3CCN(CC3)[C@H](C#N)[*:1])c(C)nc2c1
O=C(Cn1ccnc1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 c1csc(c1)[*:1] O=C(Cn1ccnc1)N1CCC[C@H](C1)c1nc(cc(=O)[nH]1)[*:1]
O=C(Cn1ccnc1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 c1cn(cn1)[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1nc(cc(=O)[nH]1)-c1cccs1
O=C(Cn1ccnc1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 c1cn(cn1)C[*:1] O=C(N1CCC[C@H](C1)c1nc(cc(=O)[nH]1)-c1cccs1)[*:1]
CCOC(=O)C1=C([O-])c2cnccc2NC(=O)C1 CCOC(=O)[*:1] O=C1CC(=C([O-])c2cnccc2N1)[*:1]
N#C/C(=C\c1ccc(-c2ccccc2C#N)o1)c1nnc2n1CCCCC2 N#Cc1ccccc1[*:1] N#C/C(=C\c1ccc(o1)[*:1])c1nnc2CCCCCn21
C[C@@H](OCc1ccccc1)C(=O)Oc1ccc2c(c1)OCCO2 c1ccc(cc1)[*:1] C[C@@H](OC[*:1])C(=O)Oc1ccc2OCCOc2c1
C[C@@H](OCc1ccccc1)C(=O)Oc1ccc2c(c1)OCCO2 c1ccc(cc1)C[*:1] C[C@@H](O[*:1])C(=O)Oc1ccc2OCCOc2c1
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 Cc1cccc(C)c1[*:1] O=C(CN1CCN(CC1)C(=O)c1ccccc1)N[*:1]
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)CN1CCN(CC1)C(=O)[*:1]
O=C(C=C1CCSCC1)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)C[*:1] O=C(C=C1CCSCC1)NCc1cccc(c1)C(=O)N[*:1]
O=C(C=C1CCSCC1)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] O=C(C=C1CCSCC1)NCc1cccc(c1)C(=O)NC[*:1]
COCCn1c(S)nnc1Cc1ccc(OC)c(OC)c1 COC[*:1] COc1ccc(cc1OC)Cc1nnc(S)n1C[*:1]
COCCn1c(S)nnc1Cc1ccc(OC)c(OC)c1 COCC[*:1] COc1ccc(cc1OC)Cc1nnc(S)n1[*:1]
CCc1nn(C)cc1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] CCc1nn(C)cc1C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CCc1nn(C)cc1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 CCc1nn(C)cc1[*:1] O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)[*:1]
CCc1nn(C)cc1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 Fc1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)N[C@@H](C1CCCC1)[*:1]
CN(CC(C)(C)O)C(=O)Cc1ccncc1 CC(C)(O)[*:1] CN(C[*:1])C(=O)Cc1ccncc1
CN(CC(C)(C)O)C(=O)Cc1ccncc1 CC(C)(O)C[*:1] CN(C(=O)Cc1ccncc1)[*:1]
CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccc(C)c(C)c2)cn3C2CC2)CC1 Cc1ccc(cc1C)NC(=O)[*:1] CC[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)[*:1]
CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccc(C)c(C)c2)cn3C2CC2)CC1 Cc1ccc(cc1C)[*:1] CC[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)N[*:1]
CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccc(C)c(C)c2)cn3C2CC2)CC1 C1CC1[*:1] CC[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2[*:1])C(=O)Nc1ccc(C)c(C)c1
COC(=O)[C@H](C)[C@@H](C)N[C@H](C)C[NH+]1CCCCC1 COC(=O)[*:1] C[C@H](C[NH+]1CCCCC1)N[C@H](C)[C@@H](C)[*:1]
COC(=O)[C@H](C)[C@@H](C)N[C@H](C)C[NH+]1CCCCC1 COC(=O)[C@H](C)[*:1] C[C@H](C[NH+]1CCCCC1)N[C@H](C)[*:1]
CCN1CCO[C@@H](Cn2cccc2C(C)=O)C1 CC(=O)[*:1] CCN1CCO[C@H](C1)Cn1cccc1[*:1]
CC(=O)NCCc1ccc(S(=O)(=O)/N=C(\[O-])CC(C)C)s1 CC(C)C[*:1] CC(=O)NCCc1ccc(s1)S(=O)(=O)/N=C(\[O-])[*:1]
CC(=O)NCCc1ccc(S(=O)(=O)/N=C(\[O-])CC(C)C)s1 CC(=O)NC[*:1] CC(C)C/C([O-])=N/S(=O)(=O)c1ccc(C[*:1])s1
CC(=O)NCCc1ccc(S(=O)(=O)/N=C(\[O-])CC(C)C)s1 CC(C)[*:1] CC(=O)NCCc1ccc(s1)S(=O)(=O)/N=C(\[O-])C[*:1]
CC(=O)NCCc1ccc(S(=O)(=O)/N=C(\[O-])CC(C)C)s1 CC(=O)N[*:1] CC(C)C/C([O-])=N/S(=O)(=O)c1ccc(CC[*:1])s1
CC(=O)NCCc1ccc(S(=O)(=O)/N=C(\[O-])CC(C)C)s1 CC(=O)NCC[*:1] CC(C)C/C([O-])=N/S(=O)(=O)c1ccc(s1)[*:1]
Cc1cc(C(=O)N2CC[C@H](C)[C@H](O)C2)nc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] Cc1cc(nc(n1)[*:1])C(=O)N1CC[C@H](C)[C@H](O)C1
Cn1cccc1[C@H](CNC(=O)Nc1ccc(Cl)cc1)N1CCc2ccccc2C1 Cn1cccc1[*:1] O=C(NC[C@H](N1CCc2ccccc2C1)[*:1])Nc1ccc(Cl)cc1
Cn1cccc1[C@H](CNC(=O)Nc1ccc(Cl)cc1)N1CCc2ccccc2C1 Clc1ccc(cc1)[*:1] Cn1cccc1[C@H](CNC(=O)N[*:1])N1CCc2ccccc2C1
O=C([O-])c1cc(OC[C@@H]2Cc3cc(F)ccc3O2)cs1 O=C([O-])[*:1] Fc1ccc2O[C@H](COc3csc(c3)[*:1])Cc2c1
Cc1ccc([C@@H](C)NC(=O)CSc2nnc(-c3cccs3)o2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)[C@@H](C)NC(=O)CSc1nnc(o1)[*:1]
Cc1ccc([C@@H](C)NC(=O)CSc2nnc(-c3cccs3)o2)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)CSc1nnc(o1)-c1cccs1)[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@H](C)c3ccc(-n4ccnn4)cc3)cc12 c1cn(nn1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@H](C)c1ccc(cc1)[*:1]
Cc1ccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCNc1ccc(nn1)-n1cccn1)N[*:1]
Cc1ccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)cc1 c1cnn(c1)[*:1] Cc1ccc(cc1)NC(=O)NCCNc1ccc(nn1)[*:1]
COC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)s1 c1cnn(c1)[*:1] COC(=O)c1ccc(s1)C(=O)N[C@H](C)c1ccc(cc1)[*:1]
COC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)s1 COC(=O)[*:1] C[C@@H](NC(=O)c1ccc(s1)[*:1])c1ccc(cc1)-n1cccn1
CO[C@H](C)COC(=O)c1ccc2c(c1)NC(=O)CCN2C CO[C@H](C)C[*:1] CN1CCC(=O)Nc2cc(ccc21)C(=O)O[*:1]
CO[C@H](C)COC(=O)c1ccc2c(c1)NC(=O)CCN2C CO[C@H](C)[*:1] CN1CCC(=O)Nc2cc(ccc21)C(=O)OC[*:1]
COc1cc(OC)cc([C@H]2CCN(C(=O)NCC(C)(C)C[C@H](C)O)C2)c1 C[C@H](O)[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)C(=O)NCC(C)(C)C[*:1])OC
C[NH2+][C@H](C)c1c(F)cccc1Oc1ccccc1C(C)C CC(C)[*:1] C[NH2+][C@H](C)c1c(F)cccc1Oc1ccccc1[*:1]
CN1C(=O)c2cc(C(=O)NCc3ccc(F)cc3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)NC[*:1])C(=O)NCc1ccc(F)cc1
CN1C(=O)c2cc(C(=O)NCc3ccc(F)cc3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1)C(=O)NC[*:1]
CN1C(=O)c2cc(C(=O)NCc3ccc(F)cc3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 O=C(NCc1ccc(F)cc1)[*:1] CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1)[*:1]
CN1C(=O)c2cc(C(=O)NCc3ccc(F)cc3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1)C(=O)N[*:1]
CN1C(=O)c2cc(C(=O)NCc3ccc(F)cc3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CN1C(=O)c2cc(nn2C[C@@]1(C)C(=O)N[*:1])C(=O)NCc1ccc(F)cc1
CN1C(=O)c2cc(C(=O)NCc3ccc(F)cc3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 O=C(NCc1ccc(F)cc1)[*:1] CN1C(=O)c2cc(nn2C[C@]1(C)[*:1])C(=O)NCc1ccc(F)cc1
CCOC(=O)C[C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 CCOC(=O)[*:1] C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)C[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 CCOC(=O)C[*:1] C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)[*:1]
COCCc1noc(-c2ccc(-c3ccc(N)nc3)nc2)n1 COCC[*:1] Nc1ccc(cn1)-c1ccc(cn1)-c1nc(no1)[*:1]
COCCc1noc(-c2ccc(-c3ccc(N)nc3)nc2)n1 Nc1ccc(cn1)[*:1] COCCc1noc(n1)-c1ccc(nc1)[*:1]
COCCc1noc(-c2ccc(-c3ccc(N)nc3)nc2)n1 COC[*:1] Nc1ccc(cn1)-c1ccc(cn1)-c1nc(C[*:1])no1
Cc1cc(Br)ccc1NC(=O)[C@@H](C)n1nc(-c2ccc3c(c2)OCO3)ccc1=O Cc1cc(Br)ccc1[*:1] C[C@H](C(=O)N[*:1])n1nc(ccc1=O)-c1ccc2OCOc2c1
Cc1cc(Br)ccc1NC(=O)[C@@H](C)n1nc(-c2ccc3c(c2)OCO3)ccc1=O c1cc2OCOc2cc1[*:1] Cc1cc(Br)ccc1NC(=O)[C@@H](C)n1nc(ccc1=O)[*:1]
COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c4nonc34)CC2)cc1OC COc1ccc(cc1OC)[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c2nonc12
COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c4nonc34)CC2)cc1OC COc1ccc(cc1OC)C[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c2nonc12
C[C@@H](OC(=O)CCc1cc(Cl)cs1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](OC(=O)CCc1cc(Cl)cs1)[*:1]
C[C@@H](OC(=O)CCc1cc(Cl)cs1)c1cccnc1 Clc1csc(c1)[*:1] C[C@@H](OC(=O)CC[*:1])c1cccnc1
CC(C)(C)n1nccc1NC(=O)C(=O)NCCc1cccc2ccccc12 CC(C)(C)n1nccc1[*:1] O=C(NCCc1cccc2ccccc12)C(=O)N[*:1]
CC(C)(C)n1nccc1NC(=O)C(=O)NCCc1cccc2ccccc12 CC(C)(C)[*:1] O=C(NCCc1cccc2ccccc12)C(=O)Nc1ccnn1[*:1]
CC(C)N1CCN(C(=O)c2ccc(OCC3CC3)nc2)CC1 CC(C)[*:1] O=C(c1ccc(nc1)OCC1CC1)N1CCN(CC1)[*:1]
CC(C)N1CCN(C(=O)c2ccc(OCC3CC3)nc2)CC1 C1CC1[*:1] CC(C)N1CCN(CC1)C(=O)c1ccc(nc1)OC[*:1]
CC(C)N1CCN(C(=O)c2ccc(OCC3CC3)nc2)CC1 C1CC1CO[*:1] CC(C)N1CCN(CC1)C(=O)c1ccc(nc1)[*:1]
CC(C)N1CCN(C(=O)c2ccc(OCC3CC3)nc2)CC1 C1CC1C[*:1] CC(C)N1CCN(CC1)C(=O)c1ccc(nc1)O[*:1]
CSc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)cc1 CSc1ccc(cc1)[*:1] Cc1noc2NC3C[C@H](CC(=O)C=3[C@@H](c12)[*:1])c1ccccc1O
CSc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3onc(C)c32)cc1 Oc1ccccc1[*:1] CSc1ccc(cc1)[C@H]1C2C(=O)C[C@H](CC=2Nc2onc(C)c21)[*:1]
NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(OCC(F)F)nc1 FC(F)[*:1] NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(nc1)OC[*:1]
NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(nc1)O[*:1]
NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(OCC(F)F)nc1 NC(=O)C[*:1] O=C(c1ccc(nc1)OCC(F)F)N1CCCC[C@H]1[*:1]
NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(OCC(F)F)nc1 NC(=O)[*:1] O=C(c1ccc(nc1)OCC(F)F)N1CCCC[C@H]1C[*:1]
NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(nc1)[*:1]
O=C(NNc1cccc(F)c1F)c1ccccc1OC(F)F FC(F)O[*:1] O=C(NNc1cccc(F)c1F)c1ccccc1[*:1]
O=C(NNc1cccc(F)c1F)c1ccccc1OC(F)F FC(F)[*:1] O=C(NNc1cccc(F)c1F)c1ccccc1O[*:1]
O=C(NCCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1F O=[N+]([O-])[*:1] O=C(NCCNc1ccccc1[*:1])Nc1ccc(F)c(F)c1F
CC(C)c1ccc(-c2nc(C[NH+](C)Cc3ncnn3C)cs2)cc1 Cn1ncnc1[*:1] CC(C)c1ccc(cc1)-c1nc(cs1)C[NH+](C)C[*:1]
CC(C)c1ccc(-c2nc(C[NH+](C)Cc3ncnn3C)cs2)cc1 CC(C)[*:1] Cn1ncnc1C[NH+](C)Cc1csc(n1)-c1ccc(cc1)[*:1]
COC(=O)/C=C/N1CC[C@H]([NH+]2CCCC2)C1 COC(=O)[*:1] C(=C[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
CCCN1C[C@@H](C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C CCC[*:1] C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C1)[*:1]
Cc1ccccc1C(=O)N(C1CCC(C)CC1)C1CC1 C1CC1[*:1] Cc1ccccc1C(=O)N(C1CCC(C)CC1)[*:1]
O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@H](O)[*:1]
CCC[NH2+][C@H](Cc1nc(C)c(C)s1)[C@H]1Cc2ccccc21 Cc1nc(sc1C)[*:1] CCC[NH2+][C@H](C[*:1])[C@H]1Cc2ccccc21
CCC[NH2+][C@H](Cc1nc(C)c(C)s1)[C@H]1Cc2ccccc21 CCC[*:1] Cc1nc(C[C@@H]([NH2+][*:1])[C@H]2Cc3ccccc32)sc1C
COc1cccc(C(=O)Nc2cc(C)c(NC(C)=O)c(C)c2)c1OC CC(=O)N[*:1] COc1cccc(C(=O)Nc2cc(C)c(c(C)c2)[*:1])c1OC
C[C@@]1(C[NH2+]CC(=O)[O-])CCCO1 O=C([O-])C[*:1] C[C@]1(CCCO1)C[NH2+][*:1]
C[C@@]1(C[NH2+]CC(=O)[O-])CCCO1 O=C([O-])[*:1] C[C@]1(CCCO1)C[NH2+]C[*:1]
Cn1ccnc1[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 Clc1cccc(Cl)c1[*:1] Cn1ccnc1[C@@H](NC(=O)C[*:1])c1ccccc1
Cn1ccnc1[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] Cn1ccnc1[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)[*:1]
Cn1ccnc1[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 Cn1ccnc1[*:1] O=C(Cc1c(Cl)cccc1Cl)N[C@@H](c1ccccc1)[*:1]
Cc1c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cnn1-c1ccccc1F CC(C)C[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)N[C@H](C[NH+](C)C)[*:1]
Cc1c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cnn1-c1ccccc1F CC(C)[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)N[C@@H](C[NH+](C)C)C[*:1]
Cc1c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cnn1-c1ccccc1F Fc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)N[C@H](CC(C)C)C[NH+](C)C
Cn1cc(-c2ccc(C3CC[NH+](Cc4ccnn4C)CC3)nc2)cn1 Cn1cc(cn1)[*:1] Cn1nccc1C[NH+]1CCC(CC1)c1ccc(cn1)[*:1]
Cn1cc(-c2ccc(C3CC[NH+](Cc4ccnn4C)CC3)nc2)cn1 Cn1nccc1[*:1] Cn1cc(cn1)-c1ccc(nc1)C1CC[NH+](CC1)C[*:1]
Cn1cc(-c2ccc(C3CC[NH+](Cc4ccnn4C)CC3)nc2)cn1 Cn1nccc1C[*:1] Cn1cc(cn1)-c1ccc(nc1)C1CC[NH+](CC1)[*:1]
CCCCn1nc(C)c2c(C(=O)N[C@@H](C)c3cnn(C)c3C)cc(C3CC3)nc21 CCC[*:1] Cc1nn(C[*:1])c2nc(cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c12)C1CC1
CCCCn1nc(C)c2c(C(=O)N[C@@H](C)c3cnn(C)c3C)cc(C3CC3)nc21 CCCC[*:1] Cc1nn(c2nc(cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c12)C1CC1)[*:1]
CCCCn1nc(C)c2c(C(=O)N[C@@H](C)c3cnn(C)c3C)cc(C3CC3)nc21 Cc1c(cnn1C)[*:1] CCCCn1nc(C)c2c(cc(nc21)C1CC1)C(=O)N[C@@H](C)[*:1]
CCCCn1nc(C)c2c(C(=O)N[C@@H](C)c3cnn(C)c3C)cc(C3CC3)nc21 C1CC1[*:1] CCCCn1nc(C)c2c(cc(nc21)[*:1])C(=O)N[C@@H](C)c1cnn(C)c1C
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1OC(F)F Cc1c(Cl)cccc1[*:1] N#C/C(=C\c1ccccc1OC(F)F)C(=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1OC(F)F FC(F)[*:1] Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1O[*:1]
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1OC(F)F FC(F)O[*:1] Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1[*:1]
CC(C)[C@H](C(=O)N1CCC(c2nnc3ccccn23)CC1)c1ccccc1 CC(C)[*:1] O=C([C@H](c1ccccc1)[*:1])N1CCC(CC1)c1nnc2ccccn12
CC(C)[C@H](C(=O)N1CCC(c2nnc3ccccn23)CC1)c1ccccc1 c1ccn2c(nnc2c1)[*:1] CC(C)[C@H](C(=O)N1CCC(CC1)[*:1])c1ccccc1
CC(C)[C@H](C(=O)N1CCC(c2nnc3ccccn23)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C(=O)N1CCC(CC1)c1nnc2ccccn12)[*:1]
Cc1cc(NC(=O)C(=O)NCCCc2cccc(F)c2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(NCCCc1cccc(F)c1)C(=O)N[*:1]
Cc1cc(NC(=O)C(=O)NCCCc2cccc(F)c2)ccc1Br Fc1cccc(c1)[*:1] Cc1cc(ccc1Br)NC(=O)C(=O)NCCC[*:1]
Cc1cc(NC(=O)C(=O)NCCCc2cccc(F)c2)ccc1Br Fc1cccc(c1)C[*:1] Cc1cc(ccc1Br)NC(=O)C(=O)NCC[*:1]
CCOc1ccc(C2=CCN(c3cncc(-n4ccnc4C)n3)CC2)cc1 Cc1nccn1[*:1] CCOc1ccc(cc1)C1=CCN(CC1)c1cncc(n1)[*:1]
CCOc1ccc(C2=CCN(c3cncc(-n4ccnc4C)n3)CC2)cc1 CCO[*:1] Cc1nccn1-c1cncc(n1)N1CC=C(CC1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(c3cncc(-n4ccnc4C)n3)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1nccn1-c1cncc(n1)N1CC=C(CC1)[*:1]
Cc1ccc2nc(N(C)Cc3cc(-c4ccncc4)no3)sc2c1 c1cc(ccn1)[*:1] Cc1ccc2nc(sc2c1)N(C)Cc1cc(no1)[*:1]
CC[C@](C)([NH3+])C(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] CC[C@](C)([NH3+])C(=O)N(C)CC[*:1]
CC[C@](C)([NH3+])C(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] CC[C@](C)([NH3+])C(=O)N(C)C[*:1]
Cc1noc([C@H]2CCCN(c3cc[nH+]c4ccc(Cl)cc34)C2)n1 Cc1noc(n1)[*:1] Clc1ccc2[nH+]ccc(c2c1)N1CCC[C@@H](C1)[*:1]
CCN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 CCN(C)C(=O)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCc2ccccc21)[*:1]
C#Cc1cccc(NC(=O)CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 c1ccc(cc1)S[*:1] C#Cc1cccc(c1)NC(=O)CNC(=O)[C@@H](c1ccccc1)[*:1]
C#Cc1cccc(NC(=O)CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 c1ccc(cc1)[*:1] C#Cc1cccc(c1)NC(=O)CNC(=O)[C@@H](S[*:1])c1ccccc1
C#Cc1cccc(NC(=O)CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 C#Cc1cccc(c1)[*:1] O=C(CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)N[*:1]
C#Cc1cccc(NC(=O)CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 c1ccc(cc1)[*:1] C#Cc1cccc(c1)NC(=O)CNC(=O)[C@@H](Sc1ccccc1)[*:1]
CCc1[nH+]ccn1CCC(=O)N1CCC(c2cc(C(F)(F)F)n3nc(C)cc3n2)CC1 FC(F)(F)[*:1] CCc1[nH+]ccn1CCC(=O)N1CCC(CC1)c1cc(n2nc(C)cc2n1)[*:1]
O=C(C[C@@H](O)c1ccccc1)N1CCN(CC(=O)N2CCCCCC2)CC1 c1ccc(cc1)[*:1] O=C(C[C@@H](O)[*:1])N1CCN(CC1)CC(=O)N1CCCCCC1
O=C(C[C@@H](O)c1ccccc1)N1CCN(CC(=O)N2CCCCCC2)CC1 O=C(N1CCCCCC1)[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCN(CC1)C[*:1]
C[C@H](CCCO)NC(=O)Cc1ccc(O)cc1 OCC[*:1] C[C@H](C[*:1])NC(=O)Cc1ccc(O)cc1
C[C@H](CCCO)NC(=O)Cc1ccc(O)cc1 OCCC[*:1] C[C@H](NC(=O)Cc1ccc(O)cc1)[*:1]
CCC(=O)N(C)c1ccccc1C(=O)N[C@H](C)c1cc(C)c(F)c(C)c1 CCC(=O)N(C)[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)c1ccccc1[*:1]
CN1C(=O)C2=NC(N3CCN(c4ccc(O)cc4)CC3)=N[C@@H]2N(C)C1=O Oc1ccc(cc1)[*:1] CN1C(=O)C2=NC(=N[C@@H]2N(C)C1=O)N1CCN(CC1)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 O=[N+]([O-])[*:1] CCC[C@H](C)NC(=O)[C@@H]1CCCN(C1)c1ccc(c2cnccc12)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 CCC[C@H](C)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(c2cnccc12)[N+](=O)[O-]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 CCC[C@H](C)NC(=O)[*:1] O=[N+]([O-])c1ccc(c2ccncc12)N1CCC[C@H](C1)[*:1]
CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 CCC[*:1] C[C@H](NC(=O)[C@@H]1CCCN(C1)c1ccc(c2cnccc12)[N+](=O)[O-])[*:1]
Cc1cc(C)c(NC(=O)C[NH+](C)Cc2cnn(C)c2)c(Cl)c1 Cn1cc(cn1)[*:1] Cc1cc(C)c(NC(=O)C[NH+](C)C[*:1])c(Cl)c1
Cc1cc(C)c(NC(=O)C[NH+](C)Cc2cnn(C)c2)c(Cl)c1 Cn1cc(cn1)C[*:1] Cc1cc(C)c(NC(=O)C[NH+](C)[*:1])c(Cl)c1
O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(C2CCOCC2)C1 C1CC(CCO1)[*:1] O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(C1)[*:1]
CCOC(=O)N1CCC2(CC1)Oc1c(OCC)cccc1[C@@H]1CC(c3ccc(C)cc3)=NN12 Cc1ccc(cc1)[*:1] CCOC(=O)N1CCC2(CC1)Oc1c(cccc1[C@@H]1CC(=NN12)[*:1])OCC
CCOC(=O)N1CCC2(CC1)Oc1c(OCC)cccc1[C@@H]1CC(c3ccc(C)cc3)=NN12 CCO[*:1] CCOC(=O)N1CCC2(CC1)Oc1c(cccc1[*:1])[C@@H]1CC(=NN12)c1ccc(C)cc1
O=C(NCc1cc(=O)[nH]c2ccccc12)[C@H]1C[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)[C@H]1C[C@@H]1[*:1]
COc1ccccc1[C@H](C)NC(=O)CN1CCN([C@@H](C)C(N)=O)CC1 NC(=O)[*:1] COc1ccccc1[C@H](C)NC(=O)CN1CCN(CC1)[C@@H](C)[*:1]
COc1ccccc1[C@H](C)NC(=O)CN1CCN([C@@H](C)C(N)=O)CC1 C[C@@H](C(N)=O)[*:1] COc1ccccc1[C@H](C)NC(=O)CN1CCN(CC1)[*:1]
COc1ccccc1[C@H](C)NC(=O)CN1CCN([C@@H](C)C(N)=O)CC1 COc1ccccc1[*:1] C[C@@H](C(N)=O)N1CCN(CC1)CC(=O)N[C@@H](C)[*:1]
CC(C)c1nc2cc(NC(=O)CSc3nncs3)ccc2o1 CC(C)[*:1] O=C(CSc1nncs1)Nc1ccc2oc(nc2c1)[*:1]
CC(C)c1nc2cc(NC(=O)CSc3nncs3)ccc2o1 c1nnc(SC[*:1])s1 CC(C)c1nc2cc(ccc2o1)NC(=O)[*:1]
CC(C)c1nc2cc(NC(=O)CSc3nncs3)ccc2o1 c1nnc(S[*:1])s1 CC(C)c1nc2cc(ccc2o1)NC(=O)C[*:1]
CC(C)c1nc2cc(NC(=O)CSc3nncs3)ccc2o1 c1nnc(s1)[*:1] CC(C)c1nc2cc(ccc2o1)NC(=O)CS[*:1]
O=C(NCCc1cccs1)NCc1ccccc1CN1CCCC1=O c1csc(c1)CC[*:1] O=C(NCc1ccccc1CN1CCCC1=O)N[*:1]
O=C(NCCc1cccs1)NCc1ccccc1CN1CCCC1=O c1csc(c1)[*:1] O=C(NCC[*:1])NCc1ccccc1CN1CCCC1=O
O=C(NCCc1cccs1)NCc1ccccc1CN1CCCC1=O O=C1CCCN1[*:1] O=C(NCCc1cccs1)NCc1ccccc1C[*:1]
O=C(NCCc1cccs1)NCc1ccccc1CN1CCCC1=O c1csc(c1)C[*:1] O=C(NCc1ccccc1CN1CCCC1=O)NC[*:1]
O=C(NCCc1cccs1)NCc1ccccc1CN1CCCC1=O O=C1CCCN1C[*:1] O=C(NCCc1cccs1)NCc1ccccc1[*:1]
CC(C)(C)OC(=O)NC1(c2ccc3cc(O)ccc3c2)COC(C)(C)OC1 CC(C)(C)OC(=O)N[*:1] CC1(C)OCC(CO1)(c1ccc2cc(O)ccc2c1)[*:1]
CC(C)(C)OC(=O)NC1(c2ccc3cc(O)ccc3c2)COC(C)(C)OC1 CC(C)(C)[*:1] CC1(C)OCC(CO1)(NC(=O)O[*:1])c1ccc2cc(O)ccc2c1
O=C1NC2=C(CCC/C2=C/c2ccccc2)[C@H](c2ccccc2)N1 c1ccc(cc1)[*:1] O=C1NC2=C(CCCC2=C[*:1])[C@@H](N1)c1ccccc1
O=C1NC2=C(CCC/C2=C/c2ccccc2)[C@H](c2ccccc2)N1 c1ccc(cc1)[*:1] O=C1NC2=C(CCC/C2=C/c2ccccc2)[C@H](N1)[*:1]
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c1C Cc1cccc(c1C)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccc(OCC(=O)NNC(=O)Cc2ccccc2C)cc1 Cc1ccccc1C[*:1] COc1ccc(cc1)OCC(=O)NNC(=O)[*:1]
COc1ccc(OCC(=O)NNC(=O)Cc2ccccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1CC(=O)NNC(=O)CO[*:1]
COc1ccc(OCC(=O)NNC(=O)Cc2ccccc2C)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)OCC(=O)NNC(=O)C[*:1]
CCCCC/C=C/CC(=O)OC CCCC[*:1] COC(=O)C/C=C/C[*:1]
CCCCC/C=C/CC(=O)OC COC(=O)[*:1] CCCCC/C=C/C[*:1]
CCCCC/C=C/CC(=O)OC CCC[*:1] COC(=O)C/C=C/CC[*:1]
CC[C@@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)c1noc(C)n1 Cc1nc(no1)[*:1] CC[C@@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)[*:1]
CC[C@@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)c1noc(C)n1 Fc1ccccc1[*:1] CC[C@@H](Nc1ccc2nnc(n2n1)[*:1])c1noc(C)n1
COc1cc(NC(=O)Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3ccccc32)cc(OC)c1OC COc1cc(cc(OC)c1OC)[*:1] Cc1ccc(cc1C)-n1c(=O)c2ccccc2n(CC(=O)N[*:1])c1=O
COc1cc(NC(=O)Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3ccccc32)cc(OC)c1OC Cc1ccc(cc1C)[*:1] COc1cc(cc(OC)c1OC)NC(=O)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccc(C#N)cc2)c1=O c1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(c(Cc2ccc(C#N)cc2)c1=O)N1CCC(CC1)[*:1]
Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccc(C#N)cc2)c1=O c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(c(Cc2ccc(C#N)cc2)c1=O)N1CCC(CC1)C[*:1]
Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccc(C#N)cc2)c1=O N#Cc1ccc(cc1)[*:1] Cn1c(=O)[nH]c(c(C[*:1])c1=O)N1CCC(CC1)Cc1ccccc1
Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccc(C#N)cc2)c1=O N#Cc1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(c(c1=O)[*:1])N1CCC(CC1)Cc1ccccc1
C[NH+](CCO)C1(CNc2nc(C3CC3)ns2)CCCCC1 OCC[*:1] C[NH+](C1(CCCCC1)CNc1nc(ns1)C1CC1)[*:1]
C[NH+](CCO)C1(CNc2nc(C3CC3)ns2)CCCCC1 C1CC1[*:1] C[NH+](CCO)C1(CCCCC1)CNc1nc(ns1)[*:1]
COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1 O=C([O-])C[*:1] COc1ccc(cc1)N1C[C@@H](C)Cn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1 O=C([O-])[*:1] COc1ccc(cc1)N1C[C@@H](C)Cn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1 COc1ccc(cc1)[*:1] C[C@@H]1CN(c2nc3c(c(=O)n(CC(=O)[O-])c(=O)n3C)n2C1)[*:1]
Cc1[nH]/c(=N\S(=O)(=O)c2cnc3c(c2)c(C)nn3C)sc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]/c(=N\S(=O)(=O)c2cnc3c(c2)c(C)nn3C)sc1[*:1]
COc1ccc(Cn2c([O-])c(C(=O)Cc3cccc4ccccc34)c(C)c(C#N)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1c(C(=O)Cc2cccc3ccccc23)c([O-])n(C[*:1])c(=O)c1C#N
COc1ccc(Cn2c([O-])c(C(=O)Cc3cccc4ccccc34)c(C)c(C#N)c2=O)cc1 c1ccc2c(cccc2c1)[*:1] COc1ccc(cc1)Cn1c([O-])c(C(=O)C[*:1])c(C)c(C#N)c1=O
COc1ccc(Cn2c([O-])c(C(=O)Cc3cccc4ccccc34)c(C)c(C#N)c2=O)cc1 COc1ccc(cc1)C[*:1] Cc1c(C(=O)Cc2cccc3ccccc23)c([O-])n(c(=O)c1C#N)[*:1]
COc1ccc(Cn2c([O-])c(C(=O)Cc3cccc4ccccc34)c(C)c(C#N)c2=O)cc1 c1ccc2c(cccc2c1)C[*:1] COc1ccc(cc1)Cn1c([O-])c(C(=O)[*:1])c(C)c(C#N)c1=O
O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Cn1nc2N(CCn2c(=O)c1=O)c1ccc(F)cc1)N[*:1]
O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] O=C(Cn1nc2N(CCn2c(=O)c1=O)[*:1])Nc1ccc2OCOc2c1
CS[C@@H](C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C CS[C@@H](C)[*:1] Cc1ccc(c(C)c1NC(=O)[*:1])[N+](=O)[O-]
CS[C@@H](C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C O=[N+]([O-])[*:1] CS[C@@H](C)C(=O)Nc1c(C)ccc(c1C)[*:1]
CC[C@@H](C)NC(=O)NCCOc1cccc(F)c1 CC[C@@H](C)[*:1] O=C(NCCOc1cccc(F)c1)N[*:1]
CC[C@@H](Cl)CCc1cc(C)cc(F)c1 CC[C@@H](Cl)[*:1] Cc1cc(F)cc(c1)CC[*:1]
CCCc1cc(NC[C@]2([NH+](C)C)CCSC2)nc(C)n1 CCC[*:1] Cc1nc(cc(n1)[*:1])NC[C@@]1(CCSC1)[NH+](C)C
Cc1ccc(CN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(C)C)o1 CC(C)(C)[*:1] Cc1ccc(CN(C(=O)[C@@H]2CCN(C2)C(=O)O[*:1])C(C)C)o1
Cc1ccc(CN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(C)C)o1 CC(C)[*:1] Cc1ccc(CN(C(=O)[C@@H]2CCN(C2)C(=O)OC(C)(C)C)[*:1])o1
Cc1ccc(CN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(C)C)o1 Cc1ccc(o1)[*:1] CC(C)N(C[*:1])C(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C
Cc1ccc(CN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(C)C)o1 Cc1ccc(C[*:1])o1 CC(C)N(C(=O)[C@@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
CC[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)C(=O)OC Clc1cccc(c1)[*:1] CC[C@H](NC(=O)c1c[nH]nc1[*:1])C(=O)OC
CC[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)C(=O)OC CC[C@H](C(=O)OC)[*:1] O=C(N[*:1])c1c[nH]nc1-c1cccc(Cl)c1
CC[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)[*:1]
O=S(=O)(c1cccs1)N(C[C@@H]1CCOC1)C1CC1 C1C[C@H](CO1)[*:1] O=S(=O)(c1cccs1)N(C[*:1])C1CC1
O=S(=O)(c1cccs1)N(C[C@@H]1CCOC1)C1CC1 C1C[C@H](CO1)C[*:1] O=S(=O)(c1cccs1)N(C1CC1)[*:1]
O=S(=O)(c1cccs1)N(C[C@@H]1CCOC1)C1CC1 C1CC1[*:1] O=S(=O)(c1cccs1)N(C[C@@H]1CCOC1)[*:1]
O=S(=O)(c1cccs1)N(C[C@@H]1CCOC1)C1CC1 c1csc(c1)[*:1] O=S(=O)(N(C[C@@H]1CCOC1)C1CC1)[*:1]
O=C(N[C@H](c1ccc(F)cc1)C1CC1)N[C@@H](CO)c1ccc(Cl)cc1 C1CC1[*:1] O=C(N[C@H](c1ccc(F)cc1)[*:1])N[C@@H](CO)c1ccc(Cl)cc1
O=C(N[C@H](c1ccc(F)cc1)C1CC1)N[C@@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(N[C@H](c1ccc(F)cc1)C1CC1)N[C@@H](CO)[*:1]
O=C(N[C@H](c1ccc(F)cc1)C1CC1)N[C@@H](CO)c1ccc(Cl)cc1 Fc1ccc(cc1)[*:1] O=C(N[C@H](C1CC1)[*:1])N[C@@H](CO)c1ccc(Cl)cc1
Cn1ncnc1NC(=O)NCCC[NH+]1CCCCC1 Cn1ncnc1[*:1] O=C(NCCC[NH+]1CCCCC1)N[*:1]
COc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)cc1 COc1ccc(cc1)[*:1] CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(cc21)C(=O)NC[*:1]
COc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)cc1 COc1ccc(cc1)C[*:1] CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(cc21)C(=O)N[*:1]
COc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)CNC(=O)c1ccc2SC(=C[*:1])C(=O)N(C)c2c1
CCN(C(=O)c1ccc(F)c(COC)c1)[C@H](C)C(C)C COC[*:1] CCN(C(=O)c1ccc(F)c(c1)[*:1])[C@H](C)C(C)C
CCN(C(=O)c1ccc(F)c(COC)c1)[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CCN(C(=O)c1ccc(F)c(c1)COC)[*:1]
CCN(C(=O)c1ccc(F)c(COC)c1)[C@H](C)C(C)C CC(C)[*:1] CCN(C(=O)c1ccc(F)c(c1)COC)[C@H](C)[*:1]
C[C@@H]1O[C@@]1(c1ccccc1)c1ccc(F)cc1F c1ccc(cc1)[*:1] C[C@@H]1O[C@]1(c1ccc(F)cc1F)[*:1]
CCCSc1nc2ncc3c(n2n1)C[C@H](c1ccccc1)CC3=O CCC[*:1] O=C1C[C@H](Cc2c1cnc1nc(nn21)S[*:1])c1ccccc1
CCCSc1nc2ncc3c(n2n1)C[C@H](c1ccccc1)CC3=O CCCS[*:1] O=C1C[C@H](Cc2c1cnc1nc(nn21)[*:1])c1ccccc1
CCCSc1nc2ncc3c(n2n1)C[C@H](c1ccccc1)CC3=O c1ccc(cc1)[*:1] CCCSc1nc2ncc3C(=O)C[C@@H](Cc3n2n1)[*:1]
Cc1cccc([C@@H](C)OC(=O)[C@@H](C)NC(=O)c2cccs2)c1 Cc1cccc(c1)[*:1] C[C@@H](NC(=O)c1cccs1)C(=O)O[C@H](C)[*:1]
Cc1cccc([C@@H](C)OC(=O)[C@@H](C)NC(=O)c2cccs2)c1 c1csc(c1)[*:1] Cc1cccc(c1)[C@@H](C)OC(=O)[C@@H](C)NC(=O)[*:1]
Cc1ccc(NC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cc1S(C)(=O)=O CS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N[C@H]1CC[C@H](C1)[NH+](C)C
Cc1nc(CCC[S@](=O)C2CCCC2)cs1 C1CCC(C1)[*:1] Cc1nc(cs1)CCC[S@](=O)[*:1]
Cc1n[nH]c(C)c1CCC(=O)NCC1(c2ccccc2)CCCC1 Cc1n[nH]c(C)c1[*:1] O=C(CC[*:1])NCC1(CCCC1)c1ccccc1
Cc1n[nH]c(C)c1CCC(=O)NCC1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] Cc1n[nH]c(C)c1CCC(=O)NCC1(CCCC1)[*:1]
Cc1n[nH]c(C)c1CCC(=O)NCC1(c2ccccc2)CCCC1 Cc1n[nH]c(C)c1C[*:1] O=C(C[*:1])NCC1(CCCC1)c1ccccc1
C[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccc(OC(F)F)cc1 c1cncc(c1)[*:1] C[C@@H](NCc1cnc(s1)[*:1])c1ccc(cc1)OC(F)F
C[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccc(OC(F)F)cc1 FC(F)[*:1] C[C@@H](NCc1cnc(s1)-c1cccnc1)c1ccc(cc1)O[*:1]
C[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccc(OC(F)F)cc1 FC(F)O[*:1] C[C@@H](NCc1cnc(s1)-c1cccnc1)c1ccc(cc1)[*:1]
O=c1c(Cl)c(NCc2ccc(F)cc2C(F)(F)F)cnn1-c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] O=c1c(Cl)c(cnn1-c1ccc(cn1)C(F)(F)F)NCc1ccc(F)cc1[*:1]
O=c1c(Cl)c(NCc2ccc(F)cc2C(F)(F)F)cnn1-c1ccc(C(F)(F)F)cn1 FC(F)(F)c1ccc(nc1)[*:1] O=c1c(Cl)c(cnn1[*:1])NCc1ccc(F)cc1C(F)(F)F
O=c1c(Cl)c(NCc2ccc(F)cc2C(F)(F)F)cnn1-c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] O=c1c(Cl)c(cnn1-c1ccc(cn1)[*:1])NCc1ccc(F)cc1C(F)(F)F
COC(=O)C[C@@H](C)[S@](=O)Cc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] COC(=O)C[C@@H](C)[S@](=O)Cc1nnc(o1)[*:1]
COC(=O)C[C@@H](C)[S@](=O)Cc1nnc(-c2ccccc2)o1 COC(=O)C[*:1] C[C@@H]([S@](=O)Cc1nnc(o1)-c1ccccc1)[*:1]
COC(=O)C[C@@H](C)[S@](=O)Cc1nnc(-c2ccccc2)o1 COC(=O)[*:1] C[C@H](C[*:1])[S@](=O)Cc1nnc(o1)-c1ccccc1
COC(=O)C[C@@H](C)[S@](=O)Cc1nnc(-c2ccccc2)o1 COC(=O)C[C@@H](C)[*:1] O=[S@](Cc1nnc(o1)-c1ccccc1)[*:1]
CC1(CNC(=O)[C@@H](N)c2ccccc2)COC1 CC1(COC1)[*:1] N[C@H](C(=O)NC[*:1])c1ccccc1
O=C(CSc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 c1ccc(cc1)SC[*:1] O=C(Nc1ccc(cc1)Cc1ccncc1)[*:1]
O=C(CSc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 c1cc(ccn1)C[*:1] O=C(CSc1ccccc1)Nc1ccc(cc1)[*:1]
O=C(CSc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 c1ccc(cc1)[*:1] O=C(CS[*:1])Nc1ccc(cc1)Cc1ccncc1
O=C(CSc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 c1cc(ccn1)[*:1] O=C(CSc1ccccc1)Nc1ccc(cc1)C[*:1]
O=C(CSc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 c1ccc(cc1)S[*:1] O=C(C[*:1])Nc1ccc(cc1)Cc1ccncc1
CCC[C@]1(COCC)CCCCC[NH2+]1 CCO[*:1] CCC[C@@]1(CCCCC[NH2+]1)C[*:1]
CCC[C@]1(COCC)CCCCC[NH2+]1 CCC[*:1] CCOC[C@@]1(CCCCC[NH2+]1)[*:1]
CCC[C@]1(COCC)CCCCC[NH2+]1 CCOC[*:1] CCC[C@@]1(CCCCC[NH2+]1)[*:1]
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(Cl)cc1[*:1]
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 O=[N+]([O-])c1cc(Cl)ccc1[*:1] CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC(C)N(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C1CCC1 Fc1ccc(cc1)[*:1] CC(C)N(C(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1])C1CCC1
CC(C)N(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)CN1C(=O)N[C@](C)(C1=O)c1ccc(F)cc1)[*:1]
CC(C)N(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C1CCC1 CC(C)[*:1] C[C@]1(NC(=O)N(CC(=O)N(C2CCC2)[*:1])C1=O)c1ccc(F)cc1
CS(=O)(=O)c1ccc(NC(=O)Nc2ccc(N3CCCC3)[nH+]c2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1ccc([nH+]c1)N1CCCC1
CS(=O)(=O)c1ccc(NC(=O)Nc2ccc(N3CCCC3)[nH+]c2)cc1 C1CCN(C1)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)Nc1ccc([nH+]c1)[*:1]
O=C(Nc1nncs1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 c1nnc(s1)[*:1] O=C(N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)N[*:1]
C[C@@H](CS)Cn1cnc2ccc(Br)cc2c1=O C[C@@H](CS)C[*:1] O=c1c2cc(Br)ccc2ncn1[*:1]
CCNC(=O)c1cncc(-c2ccc(F)cc2)c1 CCNC(=O)[*:1] Fc1ccc(cc1)-c1cncc(c1)[*:1]
COC[C@@](C)(O)CNC(=O)CCC1CCCCC1 COC[C@@](C)(O)[*:1] O=C(CCC1CCCCC1)NC[*:1]
COC[C@@](C)(O)CNC(=O)CCC1CCCCC1 C1CCC(CC1)[*:1] COC[C@@](C)(O)CNC(=O)CC[*:1]
COC[C@@](C)(O)CNC(=O)CCC1CCCCC1 COC[*:1] C[C@@](O)(CNC(=O)CCC1CCCCC1)[*:1]
C[C@H]([NH2+]Cc1cc[nH]c1)c1ccncc1 c1cc(c[nH]1)[*:1] C[C@H]([NH2+]C[*:1])c1ccncc1
Cc1cccc(C(C)(C)NC(=O)CCSc2nc(C)n[nH]2)c1 Cc1cccc(c1)[*:1] Cc1n[nH]c(n1)SCCC(=O)NC(C)(C)[*:1]
Cc1cccc(C(C)(C)NC(=O)CCSc2nc(C)n[nH]2)c1 Cc1n[nH]c(n1)S[*:1] Cc1cccc(c1)C(C)(C)NC(=O)CC[*:1]
Cc1cccc(C(C)(C)NC(=O)CCSc2nc(C)n[nH]2)c1 Cc1n[nH]c(n1)[*:1] Cc1cccc(c1)C(C)(C)NC(=O)CCS[*:1]
Cc1cc(NC(=O)CN(C)C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)no1 Cc1cc(no1)[*:1] CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)CC(=O)N[*:1]
Cc1cc(NC(=O)CN(C)C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)no1 CC(C)[*:1] Cc1cc(no1)NC(=O)CN(C)C(=O)[C@@H]([NH2+]C1CCOCC1)[*:1]
CC(=O)c1cccc(NC(=O)CCc2c(F)cccc2F)c1 CC(=O)[*:1] O=C(CCc1c(F)cccc1F)Nc1cccc(c1)[*:1]
O=C(Nc1ccc(-c2nccs2)cc1)N1CCOC[C@H]1C1CC1 C1CC1[*:1] O=C(Nc1ccc(cc1)-c1nccs1)N1CCOC[C@@H]1[*:1]
O=C(Nc1ccc(-c2nccs2)cc1)N1CCOC[C@H]1C1CC1 c1csc(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCOC[C@H]1C1CC1
CSCc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 CSC[*:1] C[C@@H](NC(=O)c1ccc(cc1)[*:1])c1cccc(C#N)c1
C[NH2+][C@H]1CC[C@H](Oc2ccc(Oc3ccccc3)cc2)C1 c1ccc(cc1)O[*:1] C[NH2+][C@H]1CC[C@@H](C1)Oc1ccc(cc1)[*:1]
C[NH2+][C@H]1CC[C@H](Oc2ccc(Oc3ccccc3)cc2)C1 c1ccc(cc1)[*:1] C[NH2+][C@H]1CC[C@@H](C1)Oc1ccc(cc1)O[*:1]
CCOC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)sc(C)c1C CCOC(=O)[*:1] Cc1cc(C)c2oc(cc(=O)c2c1)C(=O)Nc1sc(C)c(C)c1[*:1]
Cn1c(=O)[nH]c(N2CCCCCC2)c(Cc2ccc(C#N)cc2)c1=O N#Cc1ccc(cc1)[*:1] Cn1c(=O)[nH]c(c(C[*:1])c1=O)N1CCCCCC1
Cn1c(=O)[nH]c(N2CCCCCC2)c(Cc2ccc(C#N)cc2)c1=O C1CCCN(CC1)[*:1] Cn1c(=O)[nH]c(c(Cc2ccc(C#N)cc2)c1=O)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1c1cccn1C Cn1cccc1[*:1] Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1c1cccn1C Cc1noc(C)c1[*:1] Cn1cccc1[C@H]1CCCCN1S(=O)(=O)[*:1]
CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1F CC(=O)N[*:1] Fc1cc(Cl)ccc1Cn1c(nc2ccccc21)-c1nonc1[*:1]
CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1F CC(=O)Nc1nonc1[*:1] Fc1cc(Cl)ccc1Cn1c(nc2ccccc21)[*:1]
CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1F Fc1cc(Cl)ccc1C[*:1] CC(=O)Nc1nonc1-c1nc2ccccc2n1[*:1]
CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1F Fc1cc(Cl)ccc1[*:1] CC(=O)Nc1nonc1-c1nc2ccccc2n1C[*:1]
CC(C)Cn1cc(C(=O)N2CCNC(=O)C2)c2ccccc21 CC(C)C[*:1] O=C1CN(CCN1)C(=O)c1cn(c2ccccc12)[*:1]
CC(C)Cn1cc(C(=O)N2CCNC(=O)C2)c2ccccc21 CC(C)[*:1] O=C1CN(CCN1)C(=O)c1cn(C[*:1])c2ccccc12
COc1ccc(OC)c(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)OC[*:1] COc1ccc(OC)c(c1)CN1CCN(CC1)C(=O)[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)CN1CCN(CC1)C(=O)CO[*:1]
COc1ccc(OC)c(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)O[*:1] COc1ccc(OC)c(c1)CN1CCN(CC1)C(=O)C[*:1]
O=C1C[C@@H](C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c2ccc(F)cc2N1 FC(F)(F)[*:1] O=C1C[C@@H](C(=O)Nc2ccc(Br)c(c2)[*:1])c2ccc(F)cc2N1
COc1ccccc1N(C[C@H]1C=c2ccc(C)cc2=[NH+]C1=O)C(=O)c1ccco1 COc1ccccc1[*:1] Cc1ccc2=C[C@H](CN(C(=O)c3ccco3)[*:1])C(=O)[NH+]=c2c1
COc1ccccc1N(C[C@H]1C=c2ccc(C)cc2=[NH+]C1=O)C(=O)c1ccco1 c1coc(c1)[*:1] COc1ccccc1N(C[C@H]1C=c2ccc(C)cc2=[NH+]C1=O)C(=O)[*:1]
O=C(NC1(C(=O)[O-])CCCC1)c1ccc2[nH]nnc2c1 O=C([O-])[*:1] O=C(NC1(CCCC1)[*:1])c1ccc2[nH]nnc2c1
COc1cc(C)c([C@@H](C)NC(=O)Nc2cccc(C#N)c2)cc1OC N#Cc1cccc(c1)[*:1] COc1cc(C)c(cc1OC)[C@@H](C)NC(=O)N[*:1]
C#CC[C@@H](C)OC(=O)c1ccc(CC)c([N+](=O)[O-])c1 C#CC[*:1] CCc1ccc(cc1[N+](=O)[O-])C(=O)O[C@H](C)[*:1]
C#CC[C@@H](C)OC(=O)c1ccc(CC)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C#CC[C@@H](C)OC(=O)c1ccc(CC)c(c1)[*:1]
CCCCN(C(=O)[C@H]1Cc2ccccc2S1)[C@@H](C)CC CC[C@H](C)[*:1] CCCCN(C(=O)[C@H]1Cc2ccccc2S1)[*:1]
CCCCN(C(=O)[C@H]1Cc2ccccc2S1)[C@@H](C)CC CCC[*:1] CC[C@H](C)N(C[*:1])C(=O)[C@H]1Cc2ccccc2S1
CCCCN(C(=O)[C@H]1Cc2ccccc2S1)[C@@H](C)CC CCCC[*:1] CC[C@H](C)N(C(=O)[C@H]1Cc2ccccc2S1)[*:1]
CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(Br)nc1 CC[C@@H](C)[*:1] C[C@@H](NC(=O)c1ccc(Br)nc1)[*:1]
O=C1NC[C@@H]2CN(Cc3ccc(Oc4cc(F)cc(F)c4)cc3)CCN12 Fc1cc(F)cc(c1)[*:1] O=C1NC[C@@H]2CN(CCN12)Cc1ccc(cc1)O[*:1]
C[C@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccccc1Cl c1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)N[C@H](C)c1ccccc1Cl
C[C@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H](Sc1ccccc1)C(=O)N[C@H](C)[*:1]
C[C@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccccc1Cl c1ccc(cc1)S[*:1] C[C@H](C(=O)N[C@H](C)c1ccccc1Cl)[*:1]
Cc1cc(C)c2c(c1)[C@@H](NC(=O)CNC(=O)CC(C)(C)C)CCO2 CC(C)(C)[*:1] Cc1cc(C)c2OCC[C@H](NC(=O)CNC(=O)C[*:1])c2c1
Cc1cc(C)c2c(c1)[C@@H](NC(=O)CNC(=O)CC(C)(C)C)CCO2 CC(C)(C)CC(=O)N[*:1] Cc1cc(C)c2OCC[C@H](NC(=O)C[*:1])c2c1
Cc1cc(C)c2c(c1)[C@@H](NC(=O)CNC(=O)CC(C)(C)C)CCO2 CC(C)(C)C[*:1] Cc1cc(C)c2OCC[C@H](NC(=O)CNC(=O)[*:1])c2c1
CCC[NH2+]C/C(C)=C/c1cc(Br)c2c(c1)OCCO2 CCC[*:1] C/C(=C\c1cc(Br)c2OCCOc2c1)C[NH2+][*:1]
Cc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1S(=O)(=O)N1CCCCCC1 O=S(=O)(N1CCCCCC1)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1cccnc1N1CCCCC1
Cc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1S(=O)(=O)N1CCCCCC1 C1CCN(CC1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCCCC1)NC(=O)c1cccnc1[*:1]
C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCC2CC2)CC1 C1CC1[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)CC(=O)NC[*:1]
C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCC2CC2)CC1 O=C(N1CCCC1)[*:1] C[C@H](N1CCN(CC1)CC(=O)NCC1CC1)[*:1]
C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCC2CC2)CC1 O=C(NCC1CC1)[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)C[*:1]
C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCC2CC2)CC1 C1CC1C[*:1] C[C@H](C(=O)N1CCCC1)N1CCN(CC1)CC(=O)N[*:1]
CC(C)c1noc(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 CC(C)c1noc(n1)[*:1] C[C@]1(CCC(=O)N(CC[*:1])C1)Cc1ccc2OCOc2c1
CC(C)c1noc(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 c1cc2OCOc2cc1[*:1] CC(C)c1noc(CCN2C[C@@](C)(CCC2=O)C[*:1])n1
CC(C)c1noc(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 CC(C)[*:1] C[C@]1(CCC(=O)N(CCc2nc(no2)[*:1])C1)Cc1ccc2OCOc2c1
CC(C)c1noc(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 CC(C)c1noc(C[*:1])n1 C[C@]1(CCC(=O)N(C1)C[*:1])Cc1ccc2OCOc2c1
CCS(=O)(=O)NCCNC(=O)CC1CCC1 C1CC(C1)[*:1] CCS(=O)(=O)NCCNC(=O)C[*:1]
CCS(=O)(=O)NCCNC(=O)CC1CCC1 C1CC(C1)C[*:1] CCS(=O)(=O)NCCNC(=O)[*:1]
Cc1nc(C)c(C[S@](=O)Cc2nnc(-c3cccc(F)c3)o2)s1 Cc1nc(C)c(s1)[*:1] O=[S@](Cc1nnc(o1)-c1cccc(F)c1)C[*:1]
Cc1nc(C)c(C[S@](=O)Cc2nnc(-c3cccc(F)c3)o2)s1 Fc1cccc(c1)[*:1] Cc1nc(C)c(C[S@](=O)Cc2nnc(o2)[*:1])s1
C[C@@H](NC(=O)C1CCC1)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 c1cnc2ccn(c2c1)[*:1] C[C@@H](NC(=O)C1CCC1)C(=O)N1CCC(O)(CC1)C[*:1]
C[C@@H](NC(=O)C1CCC1)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 O=C(N[*:1])C1CCC1 C[C@@H](C(=O)N1CCC(O)(CC1)Cn1ccc2ncccc21)[*:1]
C[C@@H](NC(=O)C1CCC1)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 C[C@@H](NC(=O)C1CCC1)[*:1] O=C(N1CCC(O)(CC1)Cn1ccc2ncccc21)[*:1]
C[C@@H](NC(=O)C1CCC1)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 C1CC(C1)[*:1] C[C@@H](NC(=O)[*:1])C(=O)N1CCC(O)(CC1)Cn1ccc2ncccc21
O=C(Nc1cccnc1)N1CCC[C@@H](c2nncn2C2CC2)C1 c1cncc(c1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nncn1C1CC1
O=C(Nc1cccnc1)N1CCC[C@@H](c2nncn2C2CC2)C1 C1CC1[*:1] O=C(Nc1cccnc1)N1CCC[C@H](C1)c1nncn1[*:1]
CC(C)N(C[C@@H]1CCCCO1)S(=O)(=O)c1c[nH]cn1 c1nc(c[nH]1)[*:1] CC(C)N(C[C@@H]1CCCCO1)S(=O)(=O)[*:1]
CC(C)N(C[C@@H]1CCCCO1)S(=O)(=O)c1c[nH]cn1 C1CC[C@H](OC1)[*:1] CC(C)N(C[*:1])S(=O)(=O)c1c[nH]cn1
CC(C)N(C[C@@H]1CCCCO1)S(=O)(=O)c1c[nH]cn1 CC(C)[*:1] O=S(=O)(c1c[nH]cn1)N(C[C@@H]1CCCCO1)[*:1]
COc1cccc(CNC(=O)[C@H](C)Sc2nc(C)cc(C)c2C#N)c1 COc1cccc(c1)[*:1] Cc1cc(C)c(C#N)c(n1)S[C@@H](C)C(=O)NC[*:1]
Cn1ncc(N2CCO[C@H](CCNC(=O)C3(C)CC3)C2)cc1=O CC1(CC1)C(=O)N[*:1] Cn1ncc(cc1=O)N1CCO[C@H](CC[*:1])C1
Cn1ncc(N2CCO[C@H](CCNC(=O)C3(C)CC3)C2)cc1=O CC1(CC1)[*:1] Cn1ncc(cc1=O)N1CCO[C@H](CCNC(=O)[*:1])C1
CCO[C@H](C)[C@@H](O)COC(C)C CC(C)O[*:1] CCO[C@H](C)[C@@H](O)C[*:1]
CCO[C@H](C)[C@@H](O)COC(C)C CCO[*:1] CC(C)OC[C@H](O)[C@@H](C)[*:1]
CCO[C@H](C)[C@@H](O)COC(C)C CC(C)[*:1] CCO[C@H](C)[C@@H](O)CO[*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](N2CCS(=O)CC2)C1 CC(C)[*:1] O=C([O-])[C@@]1(CCC[C@H](C1)N1CCS(=O)CC1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](N2CCS(=O)CC2)C1 O=C([O-])[*:1] CC(C)[NH2+][C@]1(CCC[C@H](C1)N1CCS(=O)CC1)[*:1]
Cc1ccc(S(=O)(=O)[C@H]2c3nc4ccccc4nc3N(/N=C/C3=c4ccccc4=[NH+]C3)[C@H]2N)cc1 Cc1ccc(cc1)[*:1] N[C@H]1[C@H](c2nc3ccccc3nc2N1/N=C/C1C[NH+]=c2ccccc2=1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)[C@H]2c3nc4ccccc4nc3N(/N=C/C3=c4ccccc4=[NH+]C3)[C@H]2N)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] N[C@H]1[C@H](c2nc3ccccc3nc2N1/N=C/C1C[NH+]=c2ccccc2=1)[*:1]
CNC(=O)c1cccc(CS[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)c1 CNC(=O)[*:1] Cc1ccccc1[C@H](C)NC(=O)[C@H](C)SCc1cccc(c1)[*:1]
CNC(=O)c1cccc(CS[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)c1 Cc1ccccc1[*:1] CNC(=O)c1cccc(c1)CS[C@@H](C)C(=O)N[C@@H](C)[*:1]
Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccco1 Cc1ccccc1[*:1] O=C(/C=C/c1ccco1)NNC(=O)CO[*:1]
Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccco1 c1coc(c1)[*:1] Cc1ccccc1OCC(=O)NNC(=O)C=C[*:1]
Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccco1 C(=C[*:1])c1ccco1 Cc1ccccc1OCC(=O)NNC(=O)[*:1]
O=c1[nH]c([O-])c([C@@H]2NCCC3=c4ccccc4=[NH+][C@H]32)c(=O)n1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=c1[nH]c([O-])c(c(=O)n1[*:1])[C@@H]1NCCC2=c3ccccc3=[NH+][C@H]21
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCCCn1ccc2ccccc21 c1ccc2c(c1)ccn2[*:1] C[C@@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)NCCC[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCCCn1ccc2ccccc21 c1ccc2c(c1)ccn2C[*:1] C[C@@H](c1ccc(cc1)-n1cncn1)N(C)C(=O)NCC[*:1]
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCCCn1ccc2ccccc21 c1ncn(n1)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)NCCCn1ccc2ccccc21
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 O=C([O-])[*:1] O=C(N[C@H]1CCCc2ccccc21)[C@@H]1[C@H]([C@H]2CC[C@@H]1C2)[*:1]
O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1cc[nH]n1)[C@H](NC(=O)[*:1])c1ccccc1
O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)Nc1cc[nH]n1)[*:1])c1cccnc1
Cc1ccc([C@H](C)C(=O)N2CCC[C@@H]2Cn2nnc3c(O)nc(C)nc32)cc1 Cc1ccc(cc1)[C@H](C)[*:1] Cc1nc(O)c2nnn(C[C@H]3CCCN3C(=O)[*:1])c2n1
Cc1ccc([C@H](C)C(=O)N2CCC[C@@H]2Cn2nnc3c(O)nc(C)nc32)cc1 Cc1ccc(cc1)[*:1] Cc1nc(O)c2nnn(C[C@H]3CCCN3C(=O)[C@@H](C)[*:1])c2n1
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2c(cc1Cl)OCCCO2 O=C([O-])[*:1] COc1ccc(cc1S(=O)(=O)Nc1cc2OCCCOc2cc1Cl)[*:1]
CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cc1 CC(C)c1ccc(cc1)[*:1] O=C1C[C@H](CN1c1cn[nH]c1)C(=O)N1CCC[C@@H]1[*:1]
CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cc1 CC(C)[*:1] O=C1C[C@H](CN1c1cn[nH]c1)C(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cc1 c1n[nH]cc1[*:1] CC(C)c1ccc(cc1)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)NC(C)(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 COC(=O)NC(C)(C)[*:1] Cc1cc(ccc1OCC(F)(F)F)NC(=O)[*:1]
COC(=O)NC(C)(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 FC(F)(F)[*:1] COC(=O)NC(C)(C)C(=O)Nc1ccc(OC[*:1])c(C)c1
COC(=O)NC(C)(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 FC(F)(F)C[*:1] COC(=O)NC(C)(C)C(=O)Nc1ccc(O[*:1])c(C)c1
COC(=O)NC(C)(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 COC(=O)N[*:1] Cc1cc(ccc1OCC(F)(F)F)NC(=O)C(C)(C)[*:1]
COC(=O)NC(C)(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 FC(F)(F)CO[*:1] COC(=O)NC(C)(C)C(=O)Nc1ccc(c(C)c1)[*:1]
CC(=O)c1cn(CC(=O)Nc2cnn(C)c2)c2ccccc12 Cn1cc(cn1)[*:1] CC(=O)c1cn(CC(=O)N[*:1])c2ccccc12
CC(=O)c1cn(CC(=O)Nc2cnn(C)c2)c2ccccc12 CC(=O)[*:1] Cn1cc(cn1)NC(=O)Cn1cc(c2ccccc21)[*:1]
O=C([O-])c1ccc(C[C@H]2CCN(C(=O)Cc3cccc(O)c3)C2)cc1 Oc1cccc(c1)[*:1] O=C([O-])c1ccc(cc1)C[C@H]1CCN(C1)C(=O)C[*:1]
O=C([O-])c1ccc(C[C@H]2CCN(C(=O)Cc3cccc(O)c3)C2)cc1 O=C([O-])[*:1] O=C(Cc1cccc(O)c1)N1CC[C@H](Cc2ccc(cc2)[*:1])C1
O=C([O-])c1ccc(C[C@H]2CCN(C(=O)Cc3cccc(O)c3)C2)cc1 Oc1cccc(c1)C[*:1] O=C([O-])c1ccc(cc1)C[C@H]1CCN(C1)C(=O)[*:1]
Fc1cccc(N2CCC[C@@H]2c2nnc3n2CCCCC3)n1 Fc1cccc(n1)[*:1] C1CCc2nnc([C@H]3CCCN3[*:1])n2CC1
CC(C)CCCNC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 CC(C)[*:1] C[C@@H](NC(=O)NCCC[*:1])c1cccc(c1)C(F)(F)F
CC(C)CCCNC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)CCCNC(=O)N[C@H](C)c1cccc(c1)[*:1]
CC(C)CCCNC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 CC(C)C[*:1] C[C@@H](NC(=O)NCC[*:1])c1cccc(c1)C(F)(F)F
CC(C)CCCNC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 CC(C)CC[*:1] C[C@@H](NC(=O)NC[*:1])c1cccc(c1)C(F)(F)F
CC(C)CCCNC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 CC(C)CCC[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(c1)C(F)(F)F
N#Cc1c(NC(=O)CCSc2ccccc2Cl)sc2c1CCCC2 Clc1ccccc1[*:1] N#Cc1c(NC(=O)CCS[*:1])sc2CCCCc21
N#Cc1c(NC(=O)CCSc2ccccc2Cl)sc2c1CCCC2 Clc1ccccc1S[*:1] N#Cc1c(NC(=O)CC[*:1])sc2CCCCc21
CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 CC(=O)N[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1ccc(cc1)[*:1]
CCOC(=O)C1CCN(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C)CC1 CCOC(=O)[*:1] C[C@H]1C[C@H](C)CCN1S(=O)(=O)N1CCC(CC1)[*:1]
FC(F)(F)c1cccc(-n2cnnc2Cc2nnn[n-]2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])-n1cnnc1Cc1nnn[n-]1
Cc1noc(C)c1C[C@H](C)N[C@H](C)c1nc2ccc(Cl)cc2n1C Cc1noc(C)c1C[*:1] C[C@H](N[C@H](C)c1nc2ccc(Cl)cc2n1C)[*:1]
Cc1noc(C)c1C[C@H](C)N[C@H](C)c1nc2ccc(Cl)cc2n1C Cc1noc(C)c1[*:1] C[C@@H](C[*:1])N[C@H](C)c1nc2ccc(Cl)cc2n1C
C[C@H]1CCCCN1Cc1cc[n+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 C[C@H]1CCCCN1[*:1] C[C@@H](C(=O)Nc1cccc(Cl)c1)[n+]1ccc(cc1)C[*:1]
C[C@H]1CCCCN1Cc1cc[n+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 C[C@H]1CCCCN1C[*:1] C[C@@H](C(=O)Nc1cccc(Cl)c1)[n+]1ccc(cc1)[*:1]
C[C@H]1CCCCN1Cc1cc[n+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] C[C@H]1CCCCN1Cc1cc[n+](cc1)[C@@H](C)C(=O)N[*:1]
CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 Fc1ccc(cc1)CC[*:1] CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(C2)[*:1])s1
CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 Fc1ccc(cc1)[*:1] CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(CC[*:1])C2)s1
CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 CCC(C)(C)[*:1] O=C(Nc1nnc(s1)[*:1])[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1
CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 Fc1ccc(cc1)C[*:1] CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(C2)C[*:1])s1
CCC(=O)N1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 c1ccc(cc1)[*:1] CCC(=O)N1CCCN(CC1)C(=O)NC[C@H]([NH+](C)C)[*:1]
C[C@H]1CCCCN1C(=O)CS(=O)(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H]1CCCCN1C(=O)CS(=O)(=O)[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)c1 Cc1ccc(C)c(c1)[*:1] Cc1nc2sc3CCCCc3c2c2nnc(SCC(=O)N[*:1])n12
C[C@H](CC(=O)N[C@@H]1CCCc2ccc(F)cc21)NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](CC(=O)N[C@@H]1CCCc2ccc(F)cc21)NC(=O)[*:1]
COc1cccc([C@@H]2C[C@H]2C(=O)NC2(c3cccc(F)c3)CCOCC2)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)[C@@H]1C[C@H]1C(=O)NC1(CCOCC1)[*:1]
COc1cccc([C@@H]2C[C@H]2C(=O)NC2(c3cccc(F)c3)CCOCC2)c1 COc1cccc(c1)[*:1] O=C(NC1(CCOCC1)c1cccc(F)c1)[C@@H]1C[C@H]1[*:1]
Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)sc1CC(=O)[O-] O=C([O-])C[*:1] Cc1nc(sc1[*:1])[C@@H]1CN2CCC[C@@H]2CO1
Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)sc1CC(=O)[O-] O=C([O-])[*:1] Cc1nc(sc1C[*:1])[C@@H]1CN2CCC[C@@H]2CO1
COC[C@@H](C)CC(=O)N1CC[C@@H](O)C1 COC[*:1] C[C@@H](CC(=O)N1CC[C@@H](O)C1)[*:1]
C[C@H](NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccncc1 Fc1ccc(cc1)O[*:1] C[C@H](NC(=O)NCc1ccc(nc1)[*:1])c1ccncc1
C[C@H](NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)NCc1ccc(nc1)Oc1ccc(F)cc1)[*:1]
C[C@H](NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccncc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)NCc1ccc(nc1)O[*:1])c1ccncc1
C[C@@H]1CN(C(=O)c2ccnc(OC(C)(C)C)c2)C[C@@H](c2ccsc2)O1 CC(C)(C)O[*:1] C[C@@H]1CN(C[C@H](O1)c1ccsc1)C(=O)c1ccnc(c1)[*:1]
C[C@@H]1CN(C(=O)c2ccnc(OC(C)(C)C)c2)C[C@@H](c2ccsc2)O1 c1cc(cs1)[*:1] C[C@@H]1CN(C[C@@H](O1)[*:1])C(=O)c1ccnc(c1)OC(C)(C)C
C[C@@H]1CN(C(=O)c2ccnc(OC(C)(C)C)c2)C[C@@H](c2ccsc2)O1 CC(C)(C)[*:1] C[C@@H]1CN(C[C@H](O1)c1ccsc1)C(=O)c1ccnc(c1)O[*:1]
O=C1CCC[C@@H]1CCn1cnc([N+](=O)[O-])n1 O=[N+]([O-])[*:1] O=C1CCC[C@@H]1CCn1cnc(n1)[*:1]
CCCCC1CCC(C(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)CC1 CCCCC1CCC(CC1)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[*:1]
CCCCC1CCC(C(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)CC1 CCCC[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)C1CCC(CC1)[*:1]
CCCCC1CCC(C(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)CC1 CS(=O)(=O)[*:1] CCCCC1CCC(CC1)C(=O)N1CCN(CC1)c1nc2ccc(cc2s1)[*:1]
CCCCC1CCC(C(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)CC1 CCC[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)C1CCC(CC1)C[*:1]
Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)nnn1Cc1ccc(Br)cc1 Brc1ccc(cc1)C[*:1] Nc1c(nnn1[*:1])C(=O)Nc1ccc(F)c(Cl)c1
Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)nnn1Cc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Nc1c(nnn1C[*:1])C(=O)Nc1ccc(F)c(Cl)c1
Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)nnn1Cc1ccc(Br)cc1 Fc1ccc(cc1Cl)[*:1] Nc1c(nnn1Cc1ccc(Br)cc1)C(=O)N[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)c1cnn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[NH+](C)CCN(Cc1cccs1)C(=O)c1cnn(n1)[*:1]
C[NH+](C)CCN(Cc1cccs1)C(=O)c1cnn(-c2ccccc2)n1 c1csc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1cnn(n1)-c1ccccc1
C[NH+](C)CCN(Cc1cccs1)C(=O)c1cnn(-c2ccccc2)n1 c1csc(c1)C[*:1] C[NH+](C)CCN(C(=O)c1cnn(n1)-c1ccccc1)[*:1]
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(NC(=O)Nc3ccccc3)cc1)C2=O O=C(Nc1ccccc1)N[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(cc1)[*:1])C2=O
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(NC(=O)Nc3ccccc3)cc1)C2=O c1ccc(cc1)[*:1] C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(cc1)NC(=O)N[*:1])C2=O
CC(=O)N(CC(=O)Nc1ccc2c(ccn2C)c1)Cc1cccnc1 c1cncc(c1)C[*:1] CC(=O)N(CC(=O)Nc1ccc2c(ccn2C)c1)[*:1]
CC(=O)N(CC(=O)Nc1ccc2c(ccn2C)c1)Cc1cccnc1 c1cncc(c1)[*:1] CC(=O)N(CC(=O)Nc1ccc2c(ccn2C)c1)C[*:1]
Cc1nnc(SCCc2ccccn2)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(SCCc2ccccn2)n1C[*:1]
Cc1nnc(SCCc2ccccn2)n1Cc1ccccc1 c1ccc(C[*:1])nc1 Cc1nnc(SC[*:1])n1Cc1ccccc1
Cc1nnc(SCCc2ccccn2)n1Cc1ccccc1 c1ccc(nc1)[*:1] Cc1nnc(SCC[*:1])n1Cc1ccccc1
Cc1nnc(SCCc2ccccn2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nnc(SCCc2ccccn2)n1[*:1]
C[NH+](CCOc1ccccc1[N+](=O)[O-])CC(=O)N1CCOCC1 O=[N+]([O-])[*:1] C[NH+](CCOc1ccccc1[*:1])CC(=O)N1CCOCC1
O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccc(Cl)cc1)CC2)[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2CCN(Cc2c1)S(=O)(=O)[*:1])[C@@H]1CCCO1
O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccc(Cl)cc1)CC2)[C@@H]1CCCO1 O=C(N[*:1])[C@@H]1CCCO1 O=S(=O)(c1ccc(Cl)cc1)N1CCc2ccc(cc2C1)[*:1]
O=C(c1ccc(NCC2CC2)[nH+]c1)N1CCCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(c1ccc(NCC2CC2)[nH+]c1)N1CCCN(CC1)[*:1]
O=C(c1ccc(NCC2CC2)[nH+]c1)N1CCCN(c2ncccn2)CC1 C1CC1C[*:1] O=C(c1ccc(N[*:1])[nH+]c1)N1CCCN(CC1)c1ncccn1
O=C(c1ccc(NCC2CC2)[nH+]c1)N1CCCN(c2ncccn2)CC1 C1CC1[*:1] O=C(c1ccc(NC[*:1])[nH+]c1)N1CCCN(CC1)c1ncccn1
O=C(c1ccc(NCC2CC2)[nH+]c1)N1CCCN(c2ncccn2)CC1 C1CC1CN[*:1] O=C(c1ccc([nH+]c1)[*:1])N1CCCN(CC1)c1ncccn1
N#Cc1ccc(NCC/N=C(\O)c2ncccc2O)c([N+](=O)[O-])c1 Oc1cccnc1[*:1] N#Cc1ccc(NCC/N=C(\O)[*:1])c(c1)[N+](=O)[O-]
N#Cc1ccc(NCC/N=C(\O)c2ncccc2O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1ccc(NCC/N=C(\O)c2ncccc2O)c(c1)[*:1]
CCCC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)C1 Fc1ccc(cc1Cl)[*:1] CCCC(=O)N1CCC[C@@H](C1)C(=O)N1CCO[C@H](C1)[*:1]
CCCC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)C1 CCC[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N1CCO[C@@H](C1)c1ccc(F)c(Cl)c1
Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H](CO)C3)c2c1C OC[C@H]1CCCN(C1)[*:1] Cc1sc2nc(CN3CCOCC3)nc(c2c1C)[*:1]
Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H](CO)C3)c2c1C C1CN(CCO1)[*:1] Cc1sc2nc(C[*:1])nc(c2c1C)N1CCC[C@H](CO)C1
Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H](CO)C3)c2c1C C1CN(CCO1)C[*:1] Cc1sc2nc(nc(c2c1C)N1CCC[C@H](CO)C1)[*:1]
O/N=C1/C[C@@](O)(C(F)(F)F)Oc2ccc(Cl)cc21 FC(F)(F)[*:1] O/N=C1/C[C@@](O)(Oc2ccc(Cl)cc21)[*:1]
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1[nH+]ccn1C FC(F)(F)[*:1] Cc1nc(sc1C(=O)N(C)Cc1[nH+]ccn1C)-c1ccc(cc1)[*:1]
COc1cc(C(=O)Nc2cccc(C)c2)cc(OC)c1C Cc1cccc(c1)[*:1] COc1cc(cc(OC)c1C)C(=O)N[*:1]
Cc1cc(NC(=O)[C@H]2CCc3nc(N4CCOCC4)ncc3C2)ccc1F Cc1cc(ccc1F)[*:1] O=C(N[*:1])[C@H]1CCc2nc(ncc2C1)N1CCOCC1
Cc1cc(NC(=O)[C@H]2CCc3nc(N4CCOCC4)ncc3C2)ccc1F C1CN(CCO1)[*:1] Cc1cc(ccc1F)NC(=O)[C@H]1CCc2nc(ncc2C1)[*:1]
CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)NCCC(F)(F)F FC(F)(F)CC[*:1] CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)N[*:1]
CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)NCCC(F)(F)F FC(F)(F)C[*:1] CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)NC[*:1]
CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)NCCC(F)(F)F FC(F)(F)[*:1] CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)NCC[*:1]
CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)NCCC(F)(F)F CC(C)[*:1] C[C@H]1CC[C@H](N(CC1)C(=O)NCCC(F)(F)F)[*:1]
CN(C)C(=O)c1cc(-c2cnc(N(C)C)nc2)nc2cc(Cl)ccc12 CN(C)[*:1] CN(C)C(=O)c1cc(nc2cc(Cl)ccc12)-c1cnc(nc1)[*:1]
CN(C)C(=O)c1cc(-c2cnc(N(C)C)nc2)nc2cc(Cl)ccc12 CN(C)C(=O)[*:1] CN(C)c1ncc(cn1)-c1cc(c2ccc(Cl)cc2n1)[*:1]
Cc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1S(=O)(=O)N(C)C CC(C)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)[C@H](c1ccc(Cl)cc1)[*:1]
Cc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C
Cc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1S(=O)(=O)N(C)C Clc1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)[C@H](C(C)C)[*:1]
Cc1cc(NC(=O)C(=O)N[C@@H](C)CCc2cccn2C)c2ncccc2c1 Cn1cccc1C[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](C)C[*:1])c2ncccc2c1
Cc1cc(NC(=O)C(=O)N[C@@H](C)CCc2cccn2C)c2ncccc2c1 Cn1cccc1[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](C)CC[*:1])c2ncccc2c1
Cc1cc(NC(=O)C(=O)N[C@@H](C)CCc2cccn2C)c2ncccc2c1 Cn1cccc1CC[*:1] Cc1cc(NC(=O)C(=O)N[C@@H](C)[*:1])c2ncccc2c1
CCOc1cccc(CNC(=O)C(=O)Nc2cc(F)c(OC)c(F)c2)c1 CCO[*:1] COc1c(F)cc(cc1F)NC(=O)C(=O)NCc1cccc(c1)[*:1]
Cc1cccc(CN(C)CC[C@@H]([NH3+])c2ccccc2Cl)n1 Cc1cccc(n1)[*:1] CN(CC[C@@H]([NH3+])c1ccccc1Cl)C[*:1]
Cc1cccc(CN(C)CC[C@@H]([NH3+])c2ccccc2Cl)n1 Clc1ccccc1[*:1] Cc1cccc(CN(C)CC[C@@H]([NH3+])[*:1])n1
CC(C)(C)OC(=O)NC1C(C)(C)C([NH3+])C1(C)C CC(C)(C)[*:1] CC1(C)C([NH3+])C(C)(C)C1NC(=O)O[*:1]
COc1cccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1OC Cc1ccc(cc1)[*:1] COc1cccc(NC(=O)NC[C@@H]([NH+](C)C)[*:1])c1OC
Cc1cc2oc(=O)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)c2c2occ(C(C)(C)C)c12 CC(C)(C)[*:1] Cc1cc2oc(=O)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)c2c2occ(c12)[*:1]
Cc1cc2oc(=O)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)c2c2occ(C(C)(C)C)c12 O[C@@H](C[*:1])c1ccccc1 Cc1cc2oc(=O)c(CC(=O)N[*:1])c(C)c2c2occ(c12)C(C)(C)C
Cc1cc2oc(=O)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)c2c2occ(C(C)(C)C)c12 O[C@H](c1ccccc1)[*:1] Cc1cc2oc(=O)c(CC(=O)NC[*:1])c(C)c2c2occ(c12)C(C)(C)C
Cc1cc2oc(=O)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)c2c2occ(C(C)(C)C)c12 c1ccc(cc1)[*:1] Cc1cc2oc(=O)c(CC(=O)NC[C@H](O)[*:1])c(C)c2c2occ(c12)C(C)(C)C
COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cc(F)ccc2F)cc1 Fc1ccc(F)c(c1)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)C(=O)N[*:1]
COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cc(F)ccc2F)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cc(F)ccc1F)C(=O)N1CCC[C@@H]1[*:1]
C[C@H]1CCc2c(sc3nc(S[C@@H]4CCOC4=O)n(Cc4ccco4)c(=O)c23)C1 c1coc(c1)[*:1] C[C@H]1CCc2c(C1)sc1nc(S[C@@H]3CCOC3=O)n(C[*:1])c(=O)c21
C[C@H]1CCc2c(sc3nc(S[C@@H]4CCOC4=O)n(Cc4ccco4)c(=O)c23)C1 c1coc(c1)C[*:1] C[C@H]1CCc2c(C1)sc1nc(S[C@@H]3CCOC3=O)n(c(=O)c21)[*:1]
COc1cc(OC)c(C(=S)NCc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1cc(OC)c(cc1OC)C(=S)NC[*:1]
COc1cc(OC)c(C(=S)NCc2ccccc2)cc1OC c1ccc(cc1)C[*:1] COc1cc(OC)c(cc1OC)C(=S)N[*:1]
CCn1c(S[C@H](C)C(C)=O)nc2c1c(=O)n(C)c(=O)n2C CC(=O)[C@@H](C)S[*:1] CCn1c(nc2c1c(=O)n(C)c(=O)n2C)[*:1]
CCn1c(S[C@H](C)C(C)=O)nc2c1c(=O)n(C)c(=O)n2C CC(=O)[*:1] CCn1c(nc2c1c(=O)n(C)c(=O)n2C)S[C@H](C)[*:1]
CCn1c(S[C@H](C)C(C)=O)nc2c1c(=O)n(C)c(=O)n2C CC(=O)[C@@H](C)[*:1] CCn1c(nc2c1c(=O)n(C)c(=O)n2C)S[*:1]
Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCC(NS(C)(=O)=O)CC3)nc12 CS(=O)(=O)N[*:1] Cc1cccc2sc(nc12)N(Cc1ccccc1)C(=O)CN1CCC(CC1)[*:1]
Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCC(NS(C)(=O)=O)CC3)nc12 Cc1cccc2sc(nc12)[*:1] CS(=O)(=O)NC1CCN(CC1)CC(=O)N(Cc1ccccc1)[*:1]
Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCC(NS(C)(=O)=O)CC3)nc12 c1ccc(cc1)C[*:1] Cc1cccc2sc(nc12)N(C(=O)CN1CCC(CC1)NS(C)(=O)=O)[*:1]
Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCC(NS(C)(=O)=O)CC3)nc12 c1ccc(cc1)[*:1] Cc1cccc2sc(nc12)N(C[*:1])C(=O)CN1CCC(CC1)NS(C)(=O)=O
CCOC(=O)c1nnsc1NC(=O)c1cc2cc(C)ccc2o1 CCOC(=O)[*:1] Cc1ccc2oc(cc2c1)C(=O)Nc1snnc1[*:1]
CC(C)COC[C@H](NC(=O)c1cc(C#N)cs1)c1ccco1 CC(C)[*:1] N#Cc1csc(c1)C(=O)N[C@@H](COC[*:1])c1ccco1
CC(C)COC[C@H](NC(=O)c1cc(C#N)cs1)c1ccco1 N#Cc1csc(c1)[*:1] CC(C)COC[C@H](NC(=O)[*:1])c1ccco1
CC(C)COC[C@H](NC(=O)c1cc(C#N)cs1)c1ccco1 c1coc(c1)[*:1] CC(C)COC[C@H](NC(=O)c1cc(C#N)cs1)[*:1]
CC(C)COC[C@H](NC(=O)c1cc(C#N)cs1)c1ccco1 CC(C)CO[*:1] N#Cc1csc(c1)C(=O)N[C@@H](C[*:1])c1ccco1
CC(C)COC[C@H](NC(=O)c1cc(C#N)cs1)c1ccco1 CC(C)C[*:1] N#Cc1csc(c1)C(=O)N[C@@H](CO[*:1])c1ccco1
CC(C)COC[C@H](NC(=O)c1cc(C#N)cs1)c1ccco1 CC(C)COC[*:1] N#Cc1csc(c1)C(=O)N[C@H](c1ccco1)[*:1]
O=C(CCCc1cc(F)ccc1F)OCC1CCOCC1 C1CC(CCO1)[*:1] O=C(CCCc1cc(F)ccc1F)OC[*:1]
O=C(CCCc1cc(F)ccc1F)OCC1CCOCC1 C1CC(CCO1)C[*:1] O=C(CCCc1cc(F)ccc1F)O[*:1]
Cc1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cnc(nc1)O[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N2Cc3nn(C(C)(C)C)c(-n4cccc4)c3C2)cc1 CN(C)S(=O)(=O)[*:1] CC(C)(C)n1nc2CN(Cc2c1-n1cccc1)C(=O)c1ccc(cc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N2Cc3nn(C(C)(C)C)c(-n4cccc4)c3C2)cc1 CC(C)(C)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
CN(C)S(=O)(=O)c1ccc(C(=O)N2Cc3nn(C(C)(C)C)c(-n4cccc4)c3C2)cc1 c1ccn(c1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N1Cc2nn(c(c2C1)[*:1])C(C)(C)C
CCCC(=CC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)CCC CCC[*:1] CCCC(=CC(=O)Nc1cc2OCC(=O)Nc2cc1Cl)[*:1]
CCn1nc(C)c(CN(C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)c1C CCn1nc(C)c(c1C)[*:1] COc1cc(cc(c1)N1CC[C@@H](C1)N(C)C[*:1])OC
O=C(CN1CCN(c2ccccc2F)C1=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(CN1CCN(C1=O)c1ccccc1F)N[*:1]
O=C(CN1CCN(c2ccccc2F)C1=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(CN1CCN(C1=O)c1ccccc1F)NC[*:1]
O=C(CN1CCN(c2ccccc2F)C1=O)NC[C@H]1CCCO1 Fc1ccccc1[*:1] O=C(CN1CCN(C1=O)[*:1])NC[C@H]1CCCO1
CC(C)[C@H](Cc1ccccc1Br)[NH2+]CC1(CO)CCOCC1 Brc1ccccc1[*:1] CC(C)[C@H](C[*:1])[NH2+]CC1(CO)CCOCC1
CC(C)[C@H](Cc1ccccc1Br)[NH2+]CC1(CO)CCOCC1 CC(C)[*:1] OCC1(CCOCC1)C[NH2+][C@@H](Cc1ccccc1Br)[*:1]
CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2Sc2ccccc2)C1 c1ccc(cc1)S[*:1] CS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1ccccc1[*:1]
CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2Sc2ccccc2)C1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc1ccccc1S[*:1]
COc1nn(C)cc1C(=O)N(C)CC(=O)Nc1ccccc1SC CSc1ccccc1[*:1] COc1nn(C)cc1C(=O)N(C)CC(=O)N[*:1]
COc1nn(C)cc1C(=O)N(C)CC(=O)Nc1ccccc1SC COc1nn(C)cc1[*:1] CSc1ccccc1NC(=O)CN(C)C(=O)[*:1]
CCc1[nH]nc2c1[C@@H](c1ccc(C)o1)C(C#N)=C(N)O2 Cc1ccc(o1)[*:1] CCc1[nH]nc2OC(N)=C(C#N)[C@H](c21)[*:1]
O=C(CCSc1nnc(C2CC2)n1C1CC1)Nc1ccccc1F C1CC1[*:1] O=C(CCSc1nnc(C2CC2)n1[*:1])Nc1ccccc1F
O=C(CCSc1nnc(C2CC2)n1C1CC1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(CCSc1nnc(C2CC2)n1C1CC1)N[*:1]
O=C(CCSc1nnc(C2CC2)n1C1CC1)Nc1ccccc1F C1CC1[*:1] O=C(CCSc1nnc(n1C1CC1)[*:1])Nc1ccccc1F
CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccnc1 CC(C)[*:1] C[C@H]([NH2+][C@@H](c1cccnc1)[*:1])c1ccc(cc1)S(=O)(=O)N(C)C
CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccnc1 CN(C)S(=O)(=O)[*:1] CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(cc1)[*:1])c1cccnc1
CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(cc1)S(=O)(=O)N(C)C)[*:1]
O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1nc2ccc(F)cc2s1 c1ccc(cc1)C[*:1] O=C(CN1CC[NH+](CC1)[*:1])Nc1nc2ccc(F)cc2s1
O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1nc2ccc(F)cc2s1 c1ccc(cc1)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])Nc1nc2ccc(F)cc2s1
CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(F)c1)O[C@H](C)C2 CCO[*:1] C[C@@H]1Cc2cc(c(cc2O1)N[C@H](C)C(=O)Nc1cccc(F)c1)[*:1]
CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(F)c1)O[C@H](C)C2 Fc1cccc(c1)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1N[C@H](C)C(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCCS(C)(=O)=O)c(C)c1 CS(=O)(=O)CC[*:1] Cc1ccc(NC(=O)C(=O)N[*:1])c(C)c1
Cc1ccc(NC(=O)C(=O)NCCS(C)(=O)=O)c(C)c1 CS(=O)(=O)[*:1] Cc1ccc(NC(=O)C(=O)NCC[*:1])c(C)c1
Cc1ccc(NC(=O)C(=O)NCCS(C)(=O)=O)c(C)c1 CS(=O)(=O)C[*:1] Cc1ccc(NC(=O)C(=O)NC[*:1])c(C)c1
COc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccc(F)cc2F)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)CN(S(=O)(=O)c1ccc(F)cc1F)[*:1]
COc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccc(F)cc2F)cc1 COc1ccc(cc1)[*:1] O=S(=O)(c1ccc(F)cc1F)N(C[*:1])c1ccncc1
COc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccc(F)cc2F)cc1 COc1ccc(cc1)C[*:1] O=S(=O)(c1ccc(F)cc1F)N(c1ccncc1)[*:1]
COc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccc(F)cc2F)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1)CN(c1ccncc1)S(=O)(=O)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 CC(C)(C)OC(=O)N[*:1] C[C@@H](c1nnc(o1)S(=O)(=O)Cc1c(Cl)cccc1Cl)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])c1nnc(o1)S(=O)(=O)Cc1c(Cl)cccc1Cl
C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 Clc1cccc(Cl)c1C[*:1] C[C@@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 Clc1cccc(Cl)c1[*:1] C[C@@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)C[*:1]
CC1=CC(C)=N[C@@H]1C(=O)N1CCC[C@H](c2nc(SCc3ccccn3)ncc2C)C1 c1ccc(nc1)[*:1] CC1=CC(C)=N[C@@H]1C(=O)N1CCC[C@@H](C1)c1nc(ncc1C)SC[*:1]
CC1=CC(C)=N[C@@H]1C(=O)N1CCC[C@H](c2nc(SCc3ccccn3)ncc2C)C1 c1ccc(C[*:1])nc1 CC1=CC(C)=N[C@@H]1C(=O)N1CCC[C@@H](C1)c1nc(ncc1C)S[*:1]
CC1=CC(C)=N[C@@H]1C(=O)N1CCC[C@H](c2nc(SCc3ccccn3)ncc2C)C1 c1ccc(CS[*:1])nc1 CC1=CC(C)=N[C@@H]1C(=O)N1CCC[C@@H](C1)c1nc(ncc1C)[*:1]
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](C)C2)c[nH+]1 CCN(CC)[*:1] C[C@@H]1CCCN(C1)C(=O)NCc1ccc([nH+]c1)[*:1]
Cc1cc([C@@H](C)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)c(C)s1 c1ccc(cc1)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)[C@H](C)NC(=O)OC[*:1]
Cc1cc([C@@H](C)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)[*:1]
Cc1cc([C@@H](C)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)c(C)s1 c1ccc(cc1)C[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)[C@H](C)NC(=O)O[*:1]
CCc1nn(C)cc1NC(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 CCc1nn(C)cc1[*:1] CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)N[*:1]
CCc1nn(C)cc1NC(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 CC(C)C[*:1] CCc1nn(C)cc1NC(=O)N(C[C@@H](O)c1ccc(F)cc1)[*:1]
CCc1nn(C)cc1NC(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 CC(C)[*:1] CCc1nn(C)cc1NC(=O)N(C[C@@H](O)c1ccc(F)cc1)C[*:1]
CCc1nn(C)cc1NC(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1nn(C)cc1NC(=O)N(CC(C)C)C[C@@H](O)[*:1]
CCNC(=O)NNC(=O)OC(C)(C)C CC(C)(C)[*:1] CCNC(=O)NNC(=O)O[*:1]
CC[C@H]1CCC[C@@]2(C1)C(=N)NC(=O)N2CCOC COC[*:1] CC[C@H]1CCC[C@@]2(C1)C(=N)NC(=O)N2C[*:1]
CC[C@H]1CCC[C@@]2(C1)C(=N)NC(=O)N2CCOC COCC[*:1] CC[C@H]1CCC[C@@]2(C1)C(=N)NC(=O)N2[*:1]
COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 COC(=O)[*:1] Cc1ccc(cc1)-c1cc(n[nH]1)C(=O)Nc1ccccc1[*:1]
COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 Cc1ccc(cc1)[*:1] COC(=O)c1ccccc1NC(=O)c1cc([nH]n1)[*:1]
O=C(CCSc1nnc(NN=C2CCCCC2)[nH]1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(CCSc1nnc(NN=C2CCCCC2)[nH]1)N[*:1]
O=C(CCSc1nnc(NN=C2CCCCC2)[nH]1)Nc1ccccc1Cl C1CCC(CC1)=NN[*:1] O=C(CCSc1nnc([nH]1)[*:1])Nc1ccccc1Cl
Cc1cc([O-])c(C(=O)/C=C/c2ccncc2)c(=O)o1 c1cc(ccn1)[*:1] Cc1cc([O-])c(C(=O)C=C[*:1])c(=O)o1
CC(C)CN(CC(C)C)c1ncnc(N2CCCC[C@H]2C)c1[N+](=O)[O-] CC(C)[*:1] CC(C)CN(C[*:1])c1ncnc(c1[N+](=O)[O-])N1CCCC[C@H]1C
CC(C)CN(CC(C)C)c1ncnc(N2CCCC[C@H]2C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)CN(CC(C)C)c1ncnc(c1[*:1])N1CCCC[C@H]1C
CC(C)CN(CC(C)C)c1ncnc(N2CCCC[C@H]2C)c1[N+](=O)[O-] C[C@@H]1CCCCN1[*:1] CC(C)CN(CC(C)C)c1ncnc(c1[N+](=O)[O-])[*:1]
CC(C)CN(CC(C)C)c1ncnc(N2CCCC[C@H]2C)c1[N+](=O)[O-] CC(C)C[*:1] CC(C)CN(c1ncnc(c1[N+](=O)[O-])N1CCCC[C@H]1C)[*:1]
Cc1cc(C(=O)NC[C@@H](O)Cc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)C(=O)NC[C@@H](O)C[*:1]
Cc1cc(C(=O)NC[C@@H](O)Cc2ccccc2)no1 Cc1cc(no1)[*:1] O=C(NC[C@@H](O)Cc1ccccc1)[*:1]
CN(CCc1ccccn1)C(=O)NCC1(C)Cc2ccccc2C1 c1ccc(C[*:1])nc1 CN(C[*:1])C(=O)NCC1(C)Cc2ccccc2C1
CN(CCc1ccccn1)C(=O)NCC1(C)Cc2ccccc2C1 c1ccc(nc1)[*:1] CN(CC[*:1])C(=O)NCC1(C)Cc2ccccc2C1
CN(CCc1ccccn1)C(=O)NCC1(C)Cc2ccccc2C1 c1ccc(CC[*:1])nc1 CN(C(=O)NCC1(C)Cc2ccccc2C1)[*:1]
C[C@H](CNC(=O)N1CC[C@H](c2ccccc2)C1)c1ccsc1 C[C@H](c1ccsc1)[*:1] O=C(NC[*:1])N1CC[C@@H](C1)c1ccccc1
C[C@H](CNC(=O)N1CC[C@H](c2ccccc2)C1)c1ccsc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CC[C@H](C1)[*:1])c1ccsc1
C[C@H](CNC(=O)N1CC[C@H](c2ccccc2)C1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](CNC(=O)N1CC[C@@H](C1)c1ccccc1)[*:1]
C[C@H]1CCC[C@@H](C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)C1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C1)C(=O)[C@@H](C#N)c1nnc(n1C)[*:1]
COc1ccccc1OCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C Fc1ccc(cc1)[*:1] COc1ccccc1OCCC(=O)N1C[C@H](C[C@@H]1C)[*:1]
COc1ccccc1OCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C COc1ccccc1[*:1] C[C@H]1C[C@H](CN1C(=O)CCO[*:1])c1ccc(F)cc1
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 COc1ccc(cc1)[*:1] Cn1c2NC3CC(C)(C)CC(=O)C=3[C@H](c2c(=O)n(C)c1=O)[*:1]
COc1ccc(O)c(C(=O)Nc2ccccc2C(C)C)c1 CC(C)[*:1] COc1ccc(O)c(c1)C(=O)Nc1ccccc1[*:1]
NC(=O)C1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 C1CO[C@H](C1)CO[*:1] NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
NC(=O)C1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 NC(=O)[*:1] O=C(c1ccc(cc1)OC[C@H]1CCCO1)N1CCC(CC1)[*:1]
O=C([O-])c1cc(N2C(=O)C[C@H](Nc3ccccc3O)C2=O)ccc1O Oc1ccccc1N[*:1] O=C([O-])c1cc(ccc1O)N1C(=O)C[C@H](C1=O)[*:1]
O=C([O-])c1cc(N2C(=O)C[C@H](Nc3ccccc3O)C2=O)ccc1O Oc1ccccc1[*:1] O=C([O-])c1cc(ccc1O)N1C(=O)C[C@H](N[*:1])C1=O
O=C([O-])c1cc(N2C(=O)C[C@H](Nc3ccccc3O)C2=O)ccc1O O=C([O-])[*:1] O=C1C[C@H](Nc2ccccc2O)C(=O)N1c1ccc(O)c(c1)[*:1]
Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccnc4)n3C)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C)c(C)n1[*:1]
Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccnc4)n3C)c2C)no1 c1cncc(c1)[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)CSc2nnc(n2C)[*:1])c1C
N#C[C@@H](/C(=N/S(=O)(=O)c1cccs1)c1ccccc1)c1nc([O-])c2ccccc2n1 c1ccc(cc1)[*:1] N#C[C@@H](C(=NS(=O)(=O)c1cccs1)[*:1])c1nc([O-])c2ccccc2n1
N#C[C@@H](/C(=N/S(=O)(=O)c1cccs1)c1ccccc1)c1nc([O-])c2ccccc2n1 c1csc(c1)[*:1] N#C[C@@H](/C(=N/S(=O)(=O)[*:1])c1ccccc1)c1nc([O-])c2ccccc2n1
CO[C@@H](CNC(=O)NCC1([O-])CCC1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@@H](CNC(=O)NCC1([O-])CCC1)[*:1]
NC(=O)c1c(F)cccc1NCCCOC1CC[NH2+]CC1 NC(=O)[*:1] Fc1cccc(NCCCOC2CC[NH2+]CC2)c1[*:1]
COc1cc([C@H]2C(C#N)=C(N)O[C@@H]3N=NC(C)=C32)cc(OC)c1OC(C)=O CC(=O)O[*:1] COc1cc(cc(OC)c1[*:1])[C@H]1C(C#N)=C(N)O[C@@H]2N=NC(C)=C21
Cc1cc(Cl)ccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1 Cc1noc(C)c1C[*:1] Cc1cc(Cl)ccc1NC(=O)c1cccc(c1)O[*:1]
Cc1cc(Cl)ccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1 Cc1cc(Cl)ccc1[*:1] Cc1noc(C)c1COc1cccc(c1)C(=O)N[*:1]
Cc1cc(Cl)ccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] Cc1cc(Cl)ccc1NC(=O)c1cccc(c1)OC[*:1]
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Cl)c(O)c(OCC)c2)cc1 CCO[*:1] CCOc1cc(cc(Cl)c1O)[C@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Cl)c(O)c(OCC)c2)cc1 CCO[*:1] CCOc1ccc(cc1)[C@@H]1CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1cc(Cl)c(O)c(c1)[*:1]
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Cl)c(O)c(OCC)c2)cc1 CCOc1ccc(cc1)[*:1] CCOc1cc(cc(Cl)c1O)[C@H]1CC(=O)NC2C[C@@H](CC(=O)C=21)[*:1]
CCN(CC(C)(C)C[NH3+])C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 CC(C)(C[NH3+])C[*:1] CCN(C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)[*:1]
CC(C)[C@H]1C[NH2+]CC[C@@H]1c1c(F)cccc1F CC(C)[*:1] Fc1cccc(F)c1[C@H]1CC[NH2+]C[C@@H]1[*:1]
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)N1CCCCC1 Clc1cccc(c1Cl)[*:1] N#C/C(=C\c1ccc(o1)[*:1])C(=O)N1CCCCC1
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] N#CC(=Cc1ccc(o1)-c1cccc(Cl)c1Cl)[*:1]
CC(C)CN(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=C(CSc1nc2cc(Cl)ccc2s1)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CC(C)CN(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@@H]1CCS(=O)(=O)C1 CC(C)C[*:1] O=C(CSc1nc2cc(Cl)ccc2s1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(-c2nc(C[NH2+]C[C@@H]([O-])C[NH+](C)C)cs2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)C[C@H]([O-])C[NH2+]Cc1csc(n1)[*:1]
CCc1nc(C)c(C(=O)N(C)[C@H](C)c2ccc3c(c2)OCCO3)o1 CCc1nc(C)c(o1)[*:1] C[C@H](c1ccc2OCCOc2c1)N(C)C(=O)[*:1]
COc1ccc(-n2c(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)nc3ccccc3c2=O)cc1OC COc1ccc(cc1OC)[*:1] C[C@H]1C[C@@H](C)CN(C1)C(=O)CSc1nc2ccccc2c(=O)n1[*:1]
O=C(NCCn1cccc1)c1c(F)cc(Br)cc1F c1ccn(c1)C[*:1] O=C(NC[*:1])c1c(F)cc(Br)cc1F
O=C(NCCn1cccc1)c1c(F)cc(Br)cc1F c1ccn(c1)[*:1] O=C(NCC[*:1])c1c(F)cc(Br)cc1F
CC(C)Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cn2)cc1 CC(C)[*:1] C[C@@H]([NH2+][C@H](C)c1ccc(F)cn1)c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cn2)cc1 Fc1ccc(nc1)[*:1] CC(C)Cc1ccc(cc1)[C@@H](C)[NH2+][C@H](C)[*:1]
CC(C)Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cn2)cc1 CC(C)C[*:1] C[C@@H]([NH2+][C@H](C)c1ccc(F)cn1)c1ccc(cc1)[*:1]
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CC[C@H](SC)C2)c1C CCC[*:1] CS[C@H]1CC[C@H](C1)NC(=O)/C(C#N)=C\c1cc(C)n(c1C)[*:1]
c1ccc(C[NH+]2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)cc1 c1ccc(cc1)[*:1] c1ncn(Cc2nnc(C3CC[NH+](CC3)C[*:1])n2C2CC2)n1
c1ccc(C[NH+]2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)cc1 c1ncn(C[*:1])n1 c1ccc(cc1)C[NH+]1CCC(CC1)c1nnc(n1C1CC1)[*:1]
c1ccc(C[NH+]2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)cc1 c1ccc(cc1)C[*:1] c1ncn(Cc2nnc(C3CC[NH+](CC3)[*:1])n2C2CC2)n1
c1ccc(C[NH+]2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)cc1 c1ncn(n1)[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)c1nnc(C[*:1])n1C1CC1
c1ccc(C[NH+]2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)cc1 C1CC1[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)c1nnc(Cn2cncn2)n1[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] C[C@@H](c1cccc(O)c1)N(C)C(=O)NCc1ccnc(c1)O[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 Fc1ccc(cc1)O[*:1] C[C@@H](c1cccc(O)c1)N(C)C(=O)NCc1ccnc(c1)[*:1]
C[C@@H](c1cccc(O)c1)N(C)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 Oc1cccc(c1)[*:1] C[C@@H](N(C)C(=O)NCc1ccnc(c1)Oc1ccc(F)cc1)[*:1]
Cc1cccc(-c2nnc(COC(=O)C34CC5CC(CC(C5)C3)C4)o2)c1 Cc1cccc(c1)[*:1] O=C(OCc1nnc(o1)[*:1])C12CC3CC(CC(C3)C1)C2
C[C@@H](NC(=O)Nc1ccncc1)[C@@H](O)c1ccc(Br)cc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)N[*:1])[C@@H](O)c1ccc(Br)cc1
C[C@@H](NC(=O)Nc1ccncc1)[C@@H](O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1ccncc1)[C@@H](O)[*:1]
C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)CCn1cncn1 c1ncn(n1)[*:1] C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)CC[*:1]
C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)CCn1cncn1 c1ncn(C[*:1])n1 C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)C[*:1]
C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)CCn1cncn1 c1ncn(CC[*:1])n1 C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)[*:1]
CC[C@@H](C)NC(=O)Cn1ncn2c(cc3sccc32)c1=O CC[C@@H](C)NC(=O)[*:1] O=c1c2cc3sccc3n2cnn1C[*:1]
CC[C@@H](C)NC(=O)Cn1ncn2c(cc3sccc32)c1=O CC[C@@H](C)[*:1] O=C(Cn1ncn2c(cc3sccc32)c1=O)N[*:1]
Cc1ccc(S(=O)(=O)/N=C([O-])/C=C/c2cccs2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)S(=O)(=O)/N=C(\[O-])C=C[*:1]
Cc1ccc(S(=O)(=O)/N=C([O-])/C=C/c2cccs2)cc1C C(=C[*:1])c1cccs1 Cc1ccc(cc1C)S(=O)(=O)/N=C(\[O-])[*:1]
O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1ccc(Br)o1 c1ccc(cc1)O[*:1] O=C(NCC1CCN(CC1)C(=O)C[*:1])c1ccc(Br)o1
O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1ccc(Br)o1 c1ccc(cc1)OC[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1ccc(Br)o1
O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(COc1ccccc1)N1CCC(CC1)CNC(=O)[*:1]
O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1ccc(Br)o1 c1ccc(cc1)[*:1] O=C(NCC1CCN(CC1)C(=O)CO[*:1])c1ccc(Br)o1
Cc1nc(C)c(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)s1 O=[N+]([O-])[*:1] Cc1nc(C)c(/C=C2\N=C(OC2=O)c2cccc(c2)[*:1])s1
Cc1nc(C)c(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)s1 Cc1nc(C)c(s1)[*:1] O=C1OC(=NC1=C[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] O=C(Nc1nc2CCCc2s1)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccc(OCC(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 COc1ccc(cc1)[*:1] N#Cc1cccnc1N1CCC(CC1)CNC(=O)CO[*:1]
COc1ccc(OCC(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 COc1ccc(cc1)O[*:1] N#Cc1cccnc1N1CCC(CC1)CNC(=O)C[*:1]
COc1ccc(OCC(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 N#Cc1cccnc1[*:1] COc1ccc(cc1)OCC(=O)NCC1CCN(CC1)[*:1]
O=C([O-])Cn1nnnc1SCc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] O=C([O-])Cn1nnnc1SCc1ccc(c(F)c1)[*:1]
O=C([O-])Cn1nnnc1SCc1ccc([N+](=O)[O-])c(F)c1 O=C([O-])C[*:1] O=[N+]([O-])c1ccc(cc1F)CSc1nnnn1[*:1]
O=C([O-])Cn1nnnc1SCc1ccc([N+](=O)[O-])c(F)c1 O=C([O-])[*:1] O=[N+]([O-])c1ccc(cc1F)CSc1nnnn1C[*:1]
COC(=O)C[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 COC(=O)[*:1] C[C@H](C[*:1])N1CCN(CC1)c1ccc(c2cnccc12)[N+](=O)[O-]
COC(=O)C[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 COC(=O)C[C@@H](C)[*:1] O=[N+]([O-])c1ccc(c2ccncc12)N1CCN(CC1)[*:1]
COC(=O)C[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 COC(=O)C[*:1] C[C@@H](N1CCN(CC1)c1ccc(c2cnccc12)[N+](=O)[O-])[*:1]
COC(=O)C[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 O=[N+]([O-])[*:1] COC(=O)C[C@@H](C)N1CCN(CC1)c1ccc(c2cnccc12)[*:1]
O=C(CCCn1ccnn1)N1CCO[C@@H](c2cccc(F)c2)C1 c1cn(CC[*:1])nn1 O=C(C[*:1])N1CCO[C@H](C1)c1cccc(F)c1
O=C(CCCn1ccnn1)N1CCO[C@@H](c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(CCCn1ccnn1)N1CCO[C@@H](C1)[*:1]
O=C(CCCn1ccnn1)N1CCO[C@@H](c2cccc(F)c2)C1 c1cn(C[*:1])nn1 O=C(CC[*:1])N1CCO[C@H](C1)c1cccc(F)c1
O=C(CCCn1ccnn1)N1CCO[C@@H](c2cccc(F)c2)C1 c1cn(nn1)[*:1] O=C(CCC[*:1])N1CCO[C@H](C1)c1cccc(F)c1
COc1ccccc1-c1cc(C(=O)NCCc2csc(-n3nc(C)cc3C)n2)n(C)n1 Cc1cc(C)n(n1)[*:1] COc1ccccc1-c1cc(C(=O)NCCc2csc(n2)[*:1])n(C)n1
COc1ccccc1-c1cc(C(=O)NCCc2csc(-n3nc(C)cc3C)n2)n(C)n1 COc1ccccc1[*:1] Cc1cc(C)n(n1)-c1nc(cs1)CCNC(=O)c1cc(nn1C)[*:1]
Cn1cccc1[C@H](CNC(=O)c1ccc2ccccc2c1)[NH+]1CCCC1 Cn1cccc1[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1ccc2ccccc2c1
Fc1ccc(-c2cc(NCCCN3CCOCC3)nc(-c3ccncc3)n2)cc1 C(CN1CCOCC1)C[*:1] Fc1ccc(cc1)-c1cc(nc(n1)-c1ccncc1)N[*:1]
Fc1ccc(-c2cc(NCCCN3CCOCC3)nc(-c3ccncc3)n2)cc1 C1CN(CCO1)CC[*:1] Fc1ccc(cc1)-c1cc(nc(n1)-c1ccncc1)NC[*:1]
Fc1ccc(-c2cc(NCCCN3CCOCC3)nc(-c3ccncc3)n2)cc1 c1cc(ccn1)[*:1] Fc1ccc(cc1)-c1cc(nc(n1)[*:1])NCCCN1CCOCC1
Fc1ccc(-c2cc(NCCCN3CCOCC3)nc(-c3ccncc3)n2)cc1 Fc1ccc(cc1)[*:1] c1cc(ccn1)-c1nc(cc(n1)[*:1])NCCCN1CCOCC1
Fc1ccc(-c2cc(NCCCN3CCOCC3)nc(-c3ccncc3)n2)cc1 C1CN(CCO1)[*:1] Fc1ccc(cc1)-c1cc(nc(n1)-c1ccncc1)NCCC[*:1]
Fc1ccc(-c2cc(NCCCN3CCOCC3)nc(-c3ccncc3)n2)cc1 C1CN(CCO1)C[*:1] Fc1ccc(cc1)-c1cc(nc(n1)-c1ccncc1)NCC[*:1]
CC(C)n1nccc1NC(=O)COC(=O)c1ccc(C#N)cc1 CC(C)[*:1] N#Cc1ccc(cc1)C(=O)OCC(=O)Nc1ccnn1[*:1]
O=C(CN1CCCc2ccccc21)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCCc2ccccc21)N[*:1]
Cc1cc(C)n(-c2nc([O-])cc(C(C)C)n2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1nc([O-])cc(n1)[*:1]
C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 c1ccc(cc1)O[*:1] C[C@@H](CC[*:1])C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O
C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 c1ccc(cc1)[*:1] C[C@@H](CCO[*:1])C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O
C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 c1ccc(cc1)OC[*:1] C[C@@H](C[*:1])C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O
C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 c1ccc(cc1)OCC[*:1] C[C@@H](C(=O)Nc1ccc(cc1)-n1ncn(C)c1=O)[*:1]
C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CCN(C(=O)Nc1ccnn1Cc1ccccn1)[C@H](C)CS(C)(=O)=O c1ccc(C[*:1])nc1 CCN(C(=O)Nc1ccnn1[*:1])[C@H](C)CS(C)(=O)=O
CCN(C(=O)Nc1ccnn1Cc1ccccn1)[C@H](C)CS(C)(=O)=O c1ccc(nc1)[*:1] CCN(C(=O)Nc1ccnn1C[*:1])[C@H](C)CS(C)(=O)=O
CCN(C(=O)Nc1ccnn1Cc1ccccn1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(C(=O)Nc1ccnn1Cc1ccccn1)[C@H](C)C[*:1]
CCN(C(=O)Nc1ccnn1Cc1ccccn1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(C(=O)Nc1ccnn1Cc1ccccn1)[C@H](C)[*:1]
CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(N3CCCCC3=O)CC2)CC1 O=C1CCCCN1[*:1] CC[NH+]1CCN(CC1)c1ccccc1C[NH+]1CCC(CC1)[*:1]
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccncc1 C(=C[*:1])c1ccncc1 Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)[*:1]
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccncc1 c1cc(ccn1)[*:1] Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)C=C[*:1]
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccncc1 Cc1nn(C)c(C)c1[*:1] C[C@@H](OC(=O)/C=C/c1ccncc1)C(=O)N[*:1]
C[C@H]1CCc2sc3ncn4nc(/C=C\C(=O)[O-])nc4c3c2C1 O=C([O-])[*:1] C[C@H]1CCc2sc3ncn4nc(C=C[*:1])nc4c3c2C1
C[C@H]1CCc2sc3ncn4nc(/C=C\C(=O)[O-])nc4c3c2C1 O=C([O-])C=C[*:1] C[C@H]1CCc2sc3ncn4nc(nc4c3c2C1)[*:1]
COc1ccc(OC)c(CNCc2nc3ccccc3n2C(C)C)c1 CC(C)[*:1] COc1ccc(OC)c(c1)CNCc1nc2ccccc2n1[*:1]
COCCCCNc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 COC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NCCC[*:1]
COCCCCNc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 COCCCCN[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1[*:1]
COCCCCNc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 COCCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NC[*:1]
COCCCCNc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 COCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1NCC[*:1]
COCCCCNc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 COCCCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1N[*:1]
C[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]1CCCCN1C(=O)Cc1ccccc1[*:1]
O=[N+]([O-])c1cccc(CNc2cc(CO)ccc2Cl)c1 O=[N+]([O-])[*:1] OCc1ccc(Cl)c(c1)NCc1cccc(c1)[*:1]
C[C@]1(C(=O)[O-])[C@H]2CC[C@H](C2)[C@H]1C(=O)[O-] O=C([O-])[*:1] C[C@]1(C(=O)[O-])[C@H]2CC[C@H](C2)[C@@H]1[*:1]
C[C@]1(C(=O)[O-])[C@H]2CC[C@H](C2)[C@H]1C(=O)[O-] O=C([O-])[*:1] C[C@@]1([C@H]2CC[C@H](C2)[C@H]1C(=O)[O-])[*:1]
Cc1nc(Cc2nnc(SCc3nc(-c4ccccc4)oc3C)o2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)Cc1nnc(o1)SCc1nc(oc1C)[*:1]
Cc1nc(Cc2nnc(SCc3nc(-c4ccccc4)oc3C)o2)cs1 Cc1nc(cs1)[*:1] Cc1oc(nc1CSc1nnc(C[*:1])o1)-c1ccccc1
Cc1nc(Cc2nnc(SCc3nc(-c4ccccc4)oc3C)o2)cs1 Cc1nc(cs1)C[*:1] Cc1oc(nc1CSc1nnc(o1)[*:1])-c1ccccc1
CCc1onc(C)c1NC(=O)CC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CCc1onc(C)c1NC(=O)C[*:1]
CCc1onc(C)c1NC(=O)CC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CCc1onc(C)c1NC(=O)CC[*:1]
NC(=O)C1(N2CCOCC2)CC[NH+](Cc2ccccc2N2CCCCC2)CC1 C1CCN(CC1)[*:1] NC(=O)C1(CC[NH+](CC1)Cc1ccccc1[*:1])N1CCOCC1
NC(=O)C1(N2CCOCC2)CC[NH+](Cc2ccccc2N2CCCCC2)CC1 NC(=O)[*:1] c1ccc(c(c1)C[NH+]1CCC(CC1)(N1CCOCC1)[*:1])N1CCCCC1
NC(=O)C1(N2CCOCC2)CC[NH+](Cc2ccccc2N2CCCCC2)CC1 C1CN(CCO1)[*:1] NC(=O)C1(CC[NH+](CC1)Cc1ccccc1N1CCCCC1)[*:1]
CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)c1 Fc1ccc(cc1)[*:1] CCS(=O)(=O)c1cccc(c1)C(=O)Nc1nnc(o1)[*:1]
CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)c1 CCS(=O)(=O)[*:1] O=C(Nc1nnc(o1)-c1ccc(F)cc1)c1cccc(c1)[*:1]
CCNC(=O)N1CC[C@H](NC(=O)N2CCOC[C@H]2C2CC2)C1 C1CC1[*:1] CCNC(=O)N1CC[C@@H](C1)NC(=O)N1CCOC[C@@H]1[*:1]
Cc1cc(C)c(NC[C@@H](O)C[N+](C)(C)Cc2ccccc2Cl)c(C)c1 Clc1ccccc1C[*:1] Cc1cc(C)c(NC[C@@H](O)C[N+](C)(C)[*:1])c(C)c1
Cc1cc(C)c(NC[C@@H](O)C[N+](C)(C)Cc2ccccc2Cl)c(C)c1 Clc1ccccc1[*:1] Cc1cc(C)c(NC[C@@H](O)C[N+](C)(C)C[*:1])c(C)c1
O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccnc(C2CC2)n1 C1CC1[*:1] O=C(NC[C@H]1CCN(C1)c1ccc(F)c(F)c1)c1ccnc(n1)[*:1]
O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccnc(C2CC2)n1 Fc1ccc(cc1F)[*:1] O=C(NC[C@H]1CCN(C1)[*:1])c1ccnc(n1)C1CC1
COC(C)(C)[C@@H]([NH3+])C[C@H]1OCCc2ccccc21 COC(C)(C)[*:1] [NH3+][C@@H](C[C@H]1OCCc2ccccc21)[*:1]
CCCC[C@H](Br)C(=O)NC1=c2ccccc2=[NH+][C@@H]1C(=O)OC COC(=O)[*:1] CCCC[C@H](Br)C(=O)NC1=c2ccccc2=[NH+][C@H]1[*:1]
CCCC[C@H](Br)C(=O)NC1=c2ccccc2=[NH+][C@@H]1C(=O)OC CCC[*:1] COC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)[C@@H](Br)C[*:1]
CCCC[C@H](Br)C(=O)NC1=c2ccccc2=[NH+][C@@H]1C(=O)OC CCCC[*:1] COC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)[C@@H](Br)[*:1]
CCCC[C@H](Br)C(=O)NC1=c2ccccc2=[NH+][C@@H]1C(=O)OC CCCC[C@H](Br)[*:1] COC(=O)[C@H]1[NH+]=c2ccccc2=C1NC(=O)[*:1]
COCc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)no1 c1ccc(cc1)[*:1] COCc1cc(no1)C(=O)Nc1nnc(SC[*:1])s1
COCc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)no1 COCc1cc(no1)[*:1] O=C(Nc1nnc(SCc2ccccc2)s1)[*:1]
COCc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)no1 c1ccc(cc1)CS[*:1] COCc1cc(no1)C(=O)Nc1nnc(s1)[*:1]
COCc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)no1 c1ccc(cc1)C[*:1] COCc1cc(no1)C(=O)Nc1nnc(S[*:1])s1
COCc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)no1 COC[*:1] O=C(Nc1nnc(SCc2ccccc2)s1)c1cc(on1)[*:1]
Cc1ccc2c(Nc3ncnc(N4CCCC[C@@H]4C)c3N)cccc2[nH+]1 C[C@H]1CCCCN1[*:1] Cc1ccc2c(cccc2[nH+]1)Nc1ncnc(c1N)[*:1]
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(Cl)c1F CS(=O)(=O)C[*:1] C[C@H](N(C)S(=O)(=O)c1cccc(Cl)c1F)[*:1]
C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cccc(Cl)c1F CS(=O)(=O)[*:1] C[C@H](C[*:1])N(C)S(=O)(=O)c1cccc(Cl)c1F
CC(C)N1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(cc1)[*:1]
CC(C)N1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])cc1 CC(C)[*:1] O=C1c2ccccc2N[C@H](c2ccc(cc2)[N+](=O)[O-])N1[*:1]
COC(=O)c1cc(/C=C/C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)oc1C c1ccc(cc1)[*:1] COC(=O)c1cc(/C=C/C(=O)N(C[*:1])[C@H]2CCS(=O)(=O)C2)oc1C
COC(=O)c1cc(/C=C/C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)oc1C c1ccc(cc1)C[*:1] COC(=O)c1cc(/C=C/C(=O)N([C@H]2CCS(=O)(=O)C2)[*:1])oc1C
COC(=O)c1cc(/C=C/C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)oc1C COC(=O)[*:1] Cc1oc(/C=C/C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1[*:1]
CCn1cc[nH+]c1C[C@](C)(O)CC[NH2+]C(C)(C)C CC(C)(C)[NH2+]C[*:1] CCn1cc[nH+]c1C[C@](C)(O)C[*:1]
CCn1cc[nH+]c1C[C@](C)(O)CC[NH2+]C(C)(C)C CC(C)(C)[NH2+][*:1] CCn1cc[nH+]c1C[C@](C)(O)CC[*:1]
CCn1cc[nH+]c1C[C@](C)(O)CC[NH2+]C(C)(C)C CC(C)(C)[*:1] CCn1cc[nH+]c1C[C@](C)(O)CC[NH2+][*:1]
Cc1ccc(-c2cc(C(=O)N[C@H](C)c3c(C)noc3C)on2)cc1 Cc1ccc(cc1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)c1cc(no1)[*:1]
Cc1ccc(-c2cc(C(=O)N[C@H](C)c3c(C)noc3C)on2)cc1 Cc1noc(C)c1[*:1] Cc1ccc(cc1)-c1cc(on1)C(=O)N[C@H](C)[*:1]
N/C(CSc1ccccn1)=N\Nc1ncc(C(F)(F)F)cc1Cl c1ccc(nc1)S[*:1] N/C(C[*:1])=N\Nc1ncc(cc1Cl)C(F)(F)F
N/C(CSc1ccccn1)=N\Nc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] N/C(CSc1ccccn1)=N\Nc1ncc(cc1Cl)[*:1]
N/C(CSc1ccccn1)=N\Nc1ncc(C(F)(F)F)cc1Cl c1ccc(nc1)[*:1] N/C(CS[*:1])=N\Nc1ncc(cc1Cl)C(F)(F)F
CN(C)CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O CN(C)[*:1] O=S1(=O)C[C@@H]([NH2+]CC[*:1])[C@@H](O)C1
CN(C)CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O CN(C)C[*:1] O=S1(=O)C[C@@H]([NH2+]C[*:1])[C@@H](O)C1
COC(=O)[C@H]1c2ccsc2CCN1C(=O)C1c2ccccc2Oc2ccccc21 COC(=O)[*:1] O=C(C1c2ccccc2Oc2ccccc21)N1CCc2sccc2[C@@H]1[*:1]
CC(C)N(C)C(=O)Cn1ccc([C@H](C)O)c1 C[C@H](O)[*:1] CC(C)N(C)C(=O)Cn1ccc(c1)[*:1]
CC(C)N(C)C(=O)Cn1ccc([C@H](C)O)c1 CC(C)[*:1] C[C@H](O)c1ccn(c1)CC(=O)N(C)[*:1]
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(-c2ccccc2Cl)n(C(C)C)c1=S CC(=O)N[*:1] CC(C)n1c(nn(c1=S)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1[*:1])-c1ccccc1Cl
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(-c2ccccc2Cl)n(C(C)C)c1=S Clc1ccccc1[*:1] CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(n(c1=S)C(C)C)[*:1]
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(-c2ccccc2Cl)n(C(C)C)c1=S CC(C)[*:1] CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(-c2ccccc2Cl)n(c1=S)[*:1]
CCN[C@@]1(C#N)CC[C@@H](Sc2cc(C)ccc2C)C1 CCN[*:1] Cc1ccc(C)c(c1)S[C@@H]1CC[C@](C#N)(C1)[*:1]
CC(C)Oc1cccc([C@H]2NC(=O)NC2=N)c1 CC(C)[*:1] N=C1NC(=O)N[C@@H]1c1cccc(c1)O[*:1]
CC(C)Oc1cccc([C@H]2NC(=O)NC2=N)c1 CC(C)O[*:1] N=C1NC(=O)N[C@@H]1c1cccc(c1)[*:1]
C=CC[C@]1(O)CCCC[C@H]1CC C=CC[*:1] CC[C@@H]1CCCC[C@]1(O)[*:1]
Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1cccnc1-n1cncn1 c1ncn(n1)[*:1] Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1cccnc1[*:1]
O=C(Cc1ccccc1)c1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(Cc1ccccc1)c1ccccc1[*:1]
O=C(Cc1ccccc1)c1ccccc1C(F)(F)F c1ccc(cc1)[*:1] O=C(C[*:1])c1ccccc1C(F)(F)F
O=C(CN1CC(=O)Oc2ccccc21)OCCCl ClCC[*:1] O=C1CN(CC(=O)O[*:1])c2ccccc2O1
O=C(CN1CC(=O)Oc2ccccc21)OCCCl O=C(OCCCl)[*:1] O=C1CN(C[*:1])c2ccccc2O1
CC[C@H](C)N(CC)C(=O)c1cccc(C(F)(F)F)c1NC CC[C@H](C)[*:1] CCN(C(=O)c1cccc(c1NC)C(F)(F)F)[*:1]
CC[C@H](C)N(CC)C(=O)c1cccc(C(F)(F)F)c1NC FC(F)(F)[*:1] CC[C@H](C)N(CC)C(=O)c1cccc(c1NC)[*:1]
CNC(=O)c1ccc(CNC(=O)NNC(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CNC(=O)c1ccc(cc1)CNC(=O)NNC(=O)[*:1]
CNC(=O)c1ccc(CNC(=O)NNC(=O)c2ccccc2Cl)cc1 CNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])NNC(=O)c1ccccc1Cl
COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ncc2C(=O)C[C@H](Cc2n1)[*:1])c1ccccc1
COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1 O=C(N[*:1])c1ccccc1 COc1ccc(cc1)[C@@H]1CC(=O)c2cnc(nc2C1)[*:1]
COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)c2cnc(nc2C1)NC(=O)[*:1]
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc2ccccn2c1 c1ccn2cc(cc2c1)[*:1] O=C(COc1ccccc1-c1ccccc1)NNC(=O)[*:1]
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc2ccccn2c1 c1ccc(cc1)[*:1] O=C(COc1ccccc1[*:1])NNC(=O)c1cc2ccccn2c1
CSC[C@H]1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 FC(F)(F)[*:1] CSC[C@H]1CCN(C1)C(=O)N[C@@H](C[*:1])c1ccc(F)cc1
CSC[C@H]1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CSC[C@H]1CCN(C1)C(=O)N[C@@H](CC(F)(F)F)[*:1]
CSC[C@H]1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 FC(F)(F)C[*:1] CSC[C@H]1CCN(C1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CSC[C@H]1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 CSC[*:1] O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CC[C@@H](C1)[*:1]
C[C@](O)(CNC(=O)/C=C/c1c(F)cccc1F)c1ccco1 c1coc(c1)[*:1] C[C@](O)(CNC(=O)/C=C/c1c(F)cccc1F)[*:1]
Cc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(C)c(F)c4)c(C)n3)cc2)no1 Cc1ccc(cc1F)[*:1] Cc1nc(no1)-c1ccc(cc1)-n1cc(C(=O)N[*:1])c(C)n1
Cc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(C)c(F)c4)c(C)n3)cc2)no1 Cc1nc(no1)[*:1] Cc1ccc(cc1F)NC(=O)c1cn(nc1C)-c1ccc(cc1)[*:1]
CCS(=O)(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 C1CC1[*:1] CCS(=O)(=O)N(Cc1ccccc1)[C@@H](CO)[*:1]
CCS(=O)(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 c1ccc(cc1)[*:1] CCS(=O)(=O)N(C[*:1])[C@@H](CO)C1CC1
CCN(C(=O)c1cc(COc2ccccc2)[nH]n1)[C@@H]1CCOC(C)(C)C1 c1ccc(cc1)[*:1] CCN(C(=O)c1cc(CO[*:1])[nH]n1)[C@@H]1CCOC(C)(C)C1
CCN(C(=O)c1cc(COc2ccccc2)[nH]n1)[C@@H]1CCOC(C)(C)C1 c1ccc(cc1)OC[*:1] CCN(C(=O)c1cc([nH]n1)[*:1])[C@@H]1CCOC(C)(C)C1
CCN(C(=O)c1cc(COc2ccccc2)[nH]n1)[C@@H]1CCOC(C)(C)C1 c1ccc(cc1)O[*:1] CCN(C(=O)c1cc(C[*:1])[nH]n1)[C@@H]1CCOC(C)(C)C1
CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)nc1 Cc1ccccc1[*:1] CC[C@H](O[*:1])C(=O)Nc1ccc(Cl)nc1
CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CC[C@H](Oc1ccccc1C)C(=O)N[*:1]
O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)Cc1cccnc1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)N(Cc1cccnc1)C[*:1]
O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)Cc1cccnc1 c1cncc(c1)[*:1] O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C[*:1]
O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)Cc1cccnc1 Clc1ccc(cc1)C[*:1] O=C(Nc1ccc(Cl)cc1)N(Cc1cccnc1)[*:1]
O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)Cc1cccnc1 c1cncc(c1)C[*:1] O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)[*:1]
O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)Cc1cccnc1 Clc1ccc(cc1)[*:1] O=C(N[*:1])N(Cc1ccc(Cl)cc1)Cc1cccnc1
Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(F)cc3)[C@@](C)(C(=O)NCc3ccccc3)C2)cc1 O=C(NCc1ccccc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CC(=O)N(c2ccc(F)cc2)[C@@](C)(C1)[*:1]
Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(F)cc3)[C@@](C)(C(=O)NCc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CC(=O)N(c2ccc(F)cc2)[C@](C)(C1)C(=O)NC[*:1]
Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(F)cc3)[C@@](C)(C(=O)NCc3ccccc3)C2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CC(=O)N([C@](C)(C1)C(=O)NCc1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(F)cc3)[C@@](C)(C(=O)NCc3ccccc3)C2)cc1 Cc1ccc(cc1)[*:1] C[C@@]1(CN(CC(=O)N1c1ccc(F)cc1)S(=O)(=O)[*:1])C(=O)NCc1ccccc1
Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(F)cc3)[C@@](C)(C(=O)NCc3ccccc3)C2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CC(=O)N(c2ccc(F)cc2)[C@](C)(C1)C(=O)N[*:1]
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc3OCOc3c2)N1c1cccnc1
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] O=C1C([O-])=C([C@@H](c2ccc3OCOc3c2)N1c1cccnc1)[*:1]
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 c1cncc(c1)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccc2OCOc2c1)[*:1])c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 c1cc2OCOc2cc1[*:1] O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1[*:1])c1ccc(Cl)cc1
CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)[C@H](C)CC CC[C@@H](C)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)N(C)[*:1]
CC(C)[C@H]1OCC[C@H]1C[NH2+][C@@H](C)c1nccs1 c1csc(n1)[*:1] CC(C)[C@H]1OCC[C@H]1C[NH2+][C@@H](C)[*:1]
CC(C)[C@H]1OCC[C@H]1C[NH2+][C@@H](C)c1nccs1 CC(C)[*:1] C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1[*:1])c1nccs1
CC(=O)N(C)Cc1ccccc1NCC1CC[NH2+]CC1 CC(=O)N(C)[*:1] c1ccc(NCC2CC[NH2+]CC2)c(c1)C[*:1]
CC(=O)N(C)Cc1ccccc1NCC1CC[NH2+]CC1 CC(=O)N(C)C[*:1] c1ccc(c(c1)NCC1CC[NH2+]CC1)[*:1]
CCCCC(=O)NC(=S)Nc1c(C)cc(Br)cc1C CCC[*:1] Cc1cc(Br)cc(C)c1NC(=S)NC(=O)C[*:1]
CCCCC(=O)NC(=S)Nc1c(C)cc(Br)cc1C CCCC[*:1] Cc1cc(Br)cc(C)c1NC(=S)NC(=O)[*:1]
C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(o1)-c1cccs1)C(=O)N[*:1]
C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(C#N)cc1 c1csc(c1)[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)Nc1ccc(C#N)cc1
C[C@@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)N[*:1]
C[NH2+][C@@H](CCc1ccc([N+](=O)[O-])c(F)c1)C(C)C CC(C)[*:1] C[NH2+][C@@H](CCc1ccc(c(F)c1)[N+](=O)[O-])[*:1]
C[NH2+][C@@H](CCc1ccc([N+](=O)[O-])c(F)c1)C(C)C O=[N+]([O-])[*:1] C[NH2+][C@@H](CCc1ccc(c(F)c1)[*:1])C(C)C
CC(C)CCCCNC(=O)NCC1(O)CCSCC1 CC(C)[*:1] O=C(NCCCC[*:1])NCC1(O)CCSCC1
CC(C)CCCCNC(=O)NCC1(O)CCSCC1 CC(C)CC[*:1] O=C(NCC[*:1])NCC1(O)CCSCC1
CC(C)CCCCNC(=O)NCC1(O)CCSCC1 CC(C)C[*:1] O=C(NCCC[*:1])NCC1(O)CCSCC1
CC(C)CCCCNC(=O)NCC1(O)CCSCC1 CC(C)CCC[*:1] O=C(NCC1(O)CCSCC1)NC[*:1]
CN(CCSCc1nccs1)c1ccccc1 c1csc(n1)[*:1] CN(CCSC[*:1])c1ccccc1
NC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 C1CCN(C1)[*:1] NC(=O)N[C@H](CC(=O)Nc1ccc(nc1)[*:1])c1ccc(Br)cc1
NC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] NC(=O)N[C@H](CC(=O)Nc1ccc(nc1)N1CCCC1)[*:1]
NC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 NC(=O)N[*:1] O=C(C[C@H](c1ccc(Br)cc1)[*:1])Nc1ccc(nc1)N1CCCC1
CNC(=O)COc1ccccc1CN1CCO[C@H](c2nc(C)cs2)C1 CNC(=O)C[*:1] Cc1csc(n1)[C@@H]1CN(CCO1)Cc1ccccc1O[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@H](c2nc(C)cs2)C1 CNC(=O)CO[*:1] Cc1csc(n1)[C@@H]1CN(CCO1)Cc1ccccc1[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@H](c2nc(C)cs2)C1 Cc1csc(n1)[*:1] CNC(=O)COc1ccccc1CN1CCO[C@H](C1)[*:1]
CNC(=O)COc1ccccc1CN1CCO[C@H](c2nc(C)cs2)C1 CNC(=O)[*:1] Cc1csc(n1)[C@@H]1CN(CCO1)Cc1ccccc1OC[*:1]
Cc1ccc(CCCC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)s1 CC(C)NC(=O)[*:1] Cc1ccc(CCCC(=O)N[C@H]2CCC[C@H](C2)[*:1])s1
Cc1ccc(CCCC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)s1 Cc1ccc(s1)[*:1] CC(C)NC(=O)[C@H]1CCC[C@@H](C1)NC(=O)CCC[*:1]
Cc1ccc(CCCC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)s1 Cc1ccc(C[*:1])s1 CC(C)NC(=O)[C@H]1CCC[C@@H](C1)NC(=O)CC[*:1]
Cc1ccc(CCCC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)s1 CC(C)[*:1] Cc1ccc(CCCC(=O)N[C@H]2CCC[C@@H](C2)C(=O)N[*:1])s1
Cc1ccc(CCCC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)s1 Cc1ccc(CC[*:1])s1 CC(C)NC(=O)[C@H]1CCC[C@@H](C1)NC(=O)C[*:1]
NS(=O)(=O)[C@H]1CC=C(CNC(=O)C2=NC=C(Br)C2)S1 NS(=O)(=O)[*:1] O=C(NCC1=CC[C@@H](S1)[*:1])C1CC(Br)=CN=1
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O FC(F)[*:1] C[C@]1(NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O)c1ccc(cc1)O[*:1]
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O c1ccc(cc1)C[*:1] C[C@]1(NC(=O)N(CC(=O)NC(=O)N[*:1])C1=O)c1ccc(cc1)OC(F)F
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O FC(F)O[*:1] C[C@]1(NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O)c1ccc(cc1)[*:1]
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O FC(F)Oc1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O)[*:1]
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@]1(NC(=O)N(CC(=O)NC(=O)NC[*:1])C1=O)c1ccc(cc1)OC(F)F
O=C(CCSc1ccc(F)c(F)c1)NC(=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(CCSc1ccc(F)c(F)c1)NC(=O)N[*:1]
O=C([O-])C[C@H](CNC(=O)c1ccccn1)c1ccc(Cl)cc1 c1ccc(nc1)[*:1] O=C([O-])C[C@H](CNC(=O)[*:1])c1ccc(Cl)cc1
O=C([O-])C[C@H](CNC(=O)c1ccccn1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C([O-])C[C@H](CNC(=O)c1ccccn1)[*:1]
O=C([O-])C[C@H](CNC(=O)c1ccccn1)c1ccc(Cl)cc1 O=C([O-])[*:1] O=C(NC[C@@H](C[*:1])c1ccc(Cl)cc1)c1ccccn1
O=C([O-])C[C@H](CNC(=O)c1ccccn1)c1ccc(Cl)cc1 O=C([O-])C[*:1] O=C(NC[C@H](c1ccc(Cl)cc1)[*:1])c1ccccn1
CC(=O)N1CCC([C@H](NC(=O)c2cccs2)C(=O)N2CCCC[C@@H]2C)CC1 C[C@H]1CCCCN1C(=O)[*:1] CC(=O)N1CCC(CC1)[C@H](NC(=O)c1cccs1)[*:1]
CC(=O)N1CCC([C@H](NC(=O)c2cccs2)C(=O)N2CCCC[C@@H]2C)CC1 c1csc(c1)[*:1] CC(=O)N1CCC(CC1)[C@H](NC(=O)[*:1])C(=O)N1CCCC[C@@H]1C
CC(=O)N1CCC([C@H](NC(=O)c2cccs2)C(=O)N2CCCC[C@@H]2C)CC1 CC(=O)N1CCC(CC1)[*:1] C[C@H]1CCCCN1C(=O)[C@@H](NC(=O)c1cccs1)[*:1]
CC(=O)N1CCC([C@H](NC(=O)c2cccs2)C(=O)N2CCCC[C@@H]2C)CC1 O=C(N[*:1])c1cccs1 CC(=O)N1CCC(CC1)[C@H](C(=O)N1CCCC[C@@H]1C)[*:1]
Cc1cccc2c1NC(=O)[C@@]2(O)CC(=O)c1cccs1 c1csc(c1)[*:1] Cc1cccc2c1NC(=O)[C@@]2(O)CC(=O)[*:1]
CC1=C[C@H](CN(C)CC2=NN[C@H](C(F)(F)F)C2)N=N1 FC(F)(F)[*:1] CC1=C[C@H](CN(C)CC2C[C@@H](NN=2)[*:1])N=N1
CC[C@H](c1ccccc1)[S@](=O)Cc1nnc(-c2ccccc2OC)o1 c1ccc(cc1)[*:1] CC[C@H]([S@](=O)Cc1nnc(o1)-c1ccccc1OC)[*:1]
CC[C@H](c1ccccc1)[S@](=O)Cc1nnc(-c2ccccc2OC)o1 COc1ccccc1[*:1] CC[C@H](c1ccccc1)[S@](=O)Cc1nnc(o1)[*:1]
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)/C=C/c1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccccc1N[C@H]1CCN(C2CC2)C1=O CC(C)[*:1] O=C(N[*:1])c1ccccc1N[C@H]1CCN(C1=O)C1CC1
CC(C)NC(=O)c1ccccc1N[C@H]1CCN(C2CC2)C1=O CC(C)NC(=O)[*:1] O=C1[C@H](CCN1C1CC1)Nc1ccccc1[*:1]
CC(C)NC(=O)c1ccccc1N[C@H]1CCN(C2CC2)C1=O C1CC1[*:1] CC(C)NC(=O)c1ccccc1N[C@H]1CCN(C1=O)[*:1]
CCOc1c(Cl)cc(CN[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])CN[C@@H]1CC[C@H](C1)[NH+](C)C
C#CCOc1ccccc1C[NH+](C)CC(=O)Nc1c(C)n[nH]c1C Cc1n[nH]c(C)c1[*:1] C#CCOc1ccccc1C[NH+](C)CC(=O)N[*:1]
C#CCOc1ccccc1C[NH+](C)CC(=O)Nc1c(C)n[nH]c1C C#CCO[*:1] Cc1n[nH]c(C)c1NC(=O)C[NH+](C)Cc1ccccc1[*:1]
C#CCOc1ccccc1C[NH+](C)CC(=O)Nc1c(C)n[nH]c1C C#CC[*:1] Cc1n[nH]c(C)c1NC(=O)C[NH+](C)Cc1ccccc1O[*:1]
NC(=O)[C@H]1CCCN1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] NC(=O)[C@H]1CCCN1C(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
NC(=O)[C@H]1CCCN1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 NC(=O)[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)N1CCC[C@@H]1[*:1]
C[C@H](c1cccc(Cl)c1)N(C)C(=O)CNC(=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@H](c1cccc(Cl)c1)N(C)C(=O)CNC(=O)[*:1]
C[C@H](c1cccc(Cl)c1)N(C)C(=O)CNC(=O)c1ccc(F)c(F)c1 Clc1cccc(c1)[*:1] C[C@H](N(C)C(=O)CNC(=O)c1ccc(F)c(F)c1)[*:1]
Cc1cnc([C@@H](NC(=O)C[C@H](O)c2ccccc2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)C[C@H](O)c1ccccc1)[*:1]
Cc1cnc([C@@H](NC(=O)C[C@H](O)c2ccccc2)C2CC2)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)[C@@H](NC(=O)C[C@H](O)[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)C[C@H](O)c2ccccc2)C2CC2)s1 Cc1cnc(s1)[*:1] O=C(C[C@H](O)c1ccccc1)N[C@@H](C1CC1)[*:1]
NC(=O)[C@H]1CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 NC(=O)[*:1] O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](C1)[*:1]
NC(=O)[C@H]1CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)[C@H]1CCN(C1)C(=O)C(c1ccccc1)[*:1]
O=C(Nc1nncs1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] O=C(Nc1nncs1)c1cccc(c1)[*:1]
O=C(Nc1nncs1)c1cccc(-n2cccn2)c1 c1nnc(s1)[*:1] O=C(N[*:1])c1cccc(c1)-n1cccn1
NC(=O)[C@@H](CCC(=O)c1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](CCC(=O)c1ccccc1)S(=O)(=O)[*:1]
NC(=O)[C@@H](CCC(=O)c1ccccc1)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H](CCC(=O)[*:1])S(=O)(=O)c1ccccc1
NC(=O)[C@@H](CCC(=O)c1ccccc1)S(=O)(=O)c1ccccc1 NC(=O)[*:1] O=C(CC[C@@H](S(=O)(=O)c1ccccc1)[*:1])c1ccccc1
CC(C)NC(=O)CCC/C([O-])=N/S(=O)(=O)c1cccs1 CC(C)NC(=O)[*:1] O=S(=O)(/N=C(\[O-])CCC[*:1])c1cccs1
CC(C)NC(=O)CCC/C([O-])=N/S(=O)(=O)c1cccs1 CC(C)[*:1] O=C(CCC/C([O-])=N/S(=O)(=O)c1cccs1)N[*:1]
CC(C)NC(=O)CCC/C([O-])=N/S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CC(C)NC(=O)CCC/C([O-])=N/S(=O)(=O)[*:1]
CCOc1cc2c(cc1NC(=O)C(=O)NCc1ccccc1C)O[C@@H](C)C2 Cc1ccccc1C[*:1] CCOc1cc2C[C@H](C)Oc2cc1NC(=O)C(=O)N[*:1]
CCOc1cc2c(cc1NC(=O)C(=O)NCc1ccccc1C)O[C@@H](C)C2 CCO[*:1] Cc1ccccc1CNC(=O)C(=O)Nc1cc2O[C@@H](C)Cc2cc1[*:1]
CCOc1cc2c(cc1NC(=O)C(=O)NCc1ccccc1C)O[C@@H](C)C2 Cc1ccccc1[*:1] CCOc1cc2C[C@H](C)Oc2cc1NC(=O)C(=O)NC[*:1]
CCCCn1c(SCc2cc(=O)n3ccccc3n2)nc2ccccc2c1=O CCC[*:1] O=c1c2ccccc2nc(SCc2cc(=O)n3ccccc3n2)n1C[*:1]
CCCCn1c(SCc2cc(=O)n3ccccc3n2)nc2ccccc2c1=O CCCC[*:1] O=c1c2ccccc2nc(SCc2cc(=O)n3ccccc3n2)n1[*:1]
CC(=O)c1ccnc(Sc2n[nH]c(=O)n2C2CC2)c1 C1CC1[*:1] CC(=O)c1ccnc(c1)Sc1n[nH]c(=O)n1[*:1]
CC(=O)c1ccnc(Sc2n[nH]c(=O)n2C2CC2)c1 CC(=O)[*:1] O=c1[nH]nc(Sc2cc(ccn2)[*:1])n1C1CC1
CC[NH+](CC(=O)NCCC#N)Cc1ccc(Br)s1 N#CC[*:1] CC[NH+](CC(=O)NC[*:1])Cc1ccc(Br)s1
CC[NH+](CC(=O)NCCC#N)Cc1ccc(Br)s1 N#CCC[*:1] CC[NH+](CC(=O)N[*:1])Cc1ccc(Br)s1
CC[NH+](CC(=O)NCCC#N)Cc1ccc(Br)s1 Brc1ccc(s1)[*:1] CC[NH+](CC(=O)NCCC#N)C[*:1]
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)NC(=O)/C(C#N)=C/c1c(nc2ccccn2c1=O)O[*:1]
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1cccc(c1)Oc1nc2ccccn2c(=O)c1C=C(C#N)[*:1]
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 Cc1cccc(c1)O[*:1] Cc1ccc(cc1)NC(=O)/C(C#N)=C/c1c(nc2ccccn2c1=O)[*:1]
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)N[*:1]
COc1ccc(S(=O)(=O)NCCc2ccsc2)c(OC)c1 c1cc(cs1)CC[*:1] COc1ccc(c(c1)OC)S(=O)(=O)N[*:1]
COc1ccc(S(=O)(=O)NCCc2ccsc2)c(OC)c1 c1cc(cs1)[*:1] COc1ccc(c(c1)OC)S(=O)(=O)NCC[*:1]
COc1ccc(S(=O)(=O)NCCc2ccsc2)c(OC)c1 c1cc(cs1)C[*:1] COc1ccc(c(c1)OC)S(=O)(=O)NC[*:1]
Cc1csc(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)n1 Cc1csc(C[*:1])n1 Cn1c([nH+]c2cc(ccc21)N[*:1])C(C)(C)C
Cc1csc(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)n1 CC(C)(C)[*:1] Cc1csc(CNc2ccc3c(c2)[nH+]c(n3C)[*:1])n1
Cc1csc(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)n1 Cc1csc(n1)[*:1] Cn1c([nH+]c2cc(ccc21)NC[*:1])C(C)(C)C
CC[NH2+][C@H](C)c1ccc(OC(C)C)c(OC)c1 CC(C)O[*:1] CC[NH2+][C@H](C)c1ccc(c(c1)OC)[*:1]
CC[NH2+][C@H](C)c1ccc(OC(C)C)c(OC)c1 CC(C)[*:1] CC[NH2+][C@H](C)c1ccc(O[*:1])c(c1)OC
Cc1cc(C)cc(N2CC[C@@H](C(=O)N(C)[C@@H](C)c3ccccn3)C2=O)c1 Cc1cc(C)cc(c1)[*:1] C[C@@H](c1ccccn1)N(C)C(=O)[C@@H]1CCN(C1=O)[*:1]
Cc1cc(C)cc(N2CC[C@@H](C(=O)N(C)[C@@H](C)c3ccccn3)C2=O)c1 C[C@@H](c1ccccn1)[*:1] Cc1cc(C)cc(c1)N1CC[C@H](C1=O)C(=O)N(C)[*:1]
Cc1cc(C)cc(N2CC[C@@H](C(=O)N(C)[C@@H](C)c3ccccn3)C2=O)c1 c1ccc(nc1)[*:1] Cc1cc(C)cc(c1)N1CC[C@H](C1=O)C(=O)N(C)[C@@H](C)[*:1]
CCNC(=O)CNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 CCNC(=O)CN[*:1] CCC(C)(C)NC(=O)c1ccc(cc1Cl)[*:1]
CCNC(=O)CNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 CCNC(=O)[*:1] CCC(C)(C)NC(=O)c1ccc(cc1Cl)NC[*:1]
CCNC(=O)CNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 CCNC(=O)C[*:1] CCC(C)(C)NC(=O)c1ccc(cc1Cl)N[*:1]
CCNC(=O)CNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 CCC(C)(C)[*:1] CCNC(=O)CNc1ccc(C(=O)N[*:1])c(Cl)c1
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCC[C@H]1C C[C@@H]1CCC[C@@H]1[*:1] CCS(=O)(=O)NCCS(=O)(=O)N[*:1]
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCC[C@H]1C CCS(=O)(=O)N[*:1] C[C@@H]1CCC[C@@H]1NS(=O)(=O)CC[*:1]
CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(C3CCCCC3)ccc(=O)n1C2 CCC[*:1] O=c1ccc(c2[C@@H]3C[C@@H](CN(C3)S(=O)(=O)[*:1])Cn21)C1CCCCC1
CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(C3CCCCC3)ccc(=O)n1C2 C1CCC(CC1)[*:1] CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(ccc(=O)n1C2)[*:1]
COc1cc(C(C)=O)ccc1OCCCN1CC[NH+](C)CC1 CC(=O)[*:1] COc1cc(ccc1OCCCN1CC[NH+](C)CC1)[*:1]
CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 Fc1ccc(cc1)[*:1] CN(C)c1ncc(c(n1)[C@@H]1CCCN(C1)S(=O)(=O)N(C)C)[*:1]
CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 CN(C)[*:1] CN(C)S(=O)(=O)N1CCC[C@H](C1)c1nc(ncc1-c1ccc(F)cc1)[*:1]
COc1ccc(/C=C2\SC(=S)N=C2[O-])c(C(=O)[O-])c1OC O=C([O-])[*:1] COc1ccc(/C=C2\SC(=S)N=C2[O-])c(c1OC)[*:1]
Cc1nnc(C[NH+]2CCC3(CC2)CC(=O)N(Cc2c(C)noc2C)C3)o1 Cc1nnc(o1)[*:1] Cc1noc(C)c1CN1CC2(CC[NH+](CC2)C[*:1])CC1=O
Cc1nnc(C[NH+]2CCC3(CC2)CC(=O)N(Cc2c(C)noc2C)C3)o1 Cc1noc(C)c1[*:1] Cc1nnc(C[NH+]2CCC3(CC2)CC(=O)N(C3)C[*:1])o1
Cc1nnc(C[NH+]2CCC3(CC2)CC(=O)N(Cc2c(C)noc2C)C3)o1 Cc1noc(C)c1C[*:1] Cc1nnc(C[NH+]2CCC3(CC2)CC(=O)N(C3)[*:1])o1
Cc1nnc(C[NH+]2CCC3(CC2)CC(=O)N(Cc2c(C)noc2C)C3)o1 Cc1nnc(C[*:1])o1 Cc1noc(C)c1CN1CC2(CC[NH+](CC2)[*:1])CC1=O
C[NH+](C)C[C@@H]1CN(Cc2cc(-c3cccs3)on2)CCO1 c1csc(c1)[*:1] C[NH+](C)C[C@@H]1CN(CCO1)Cc1cc(on1)[*:1]
C[C@H](CNC(=O)C[C@H](O)c1ccccc1)Oc1ccccc1F c1ccc(cc1)[*:1] C[C@H](CNC(=O)C[C@H](O)[*:1])Oc1ccccc1F
C[C@H](CNC(=O)C[C@H](O)c1ccccc1)Oc1ccccc1F Fc1ccccc1[*:1] C[C@H](CNC(=O)C[C@H](O)c1ccccc1)O[*:1]
C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2Br)C[C@@H]1C O=C([O-])[*:1] C[C@H]1CN(C[C@@H]1C)C(=O)Nc1ccc(cc1Br)[*:1]
CCC[NH2+][C@@H](C)c1cccn1CC(=O)NC(C)(C)C CCC[*:1] C[C@H]([NH2+][*:1])c1cccn1CC(=O)NC(C)(C)C
CCC[NH2+][C@@H](C)c1cccn1CC(=O)NC(C)(C)C CC(C)(C)[*:1] CCC[NH2+][C@@H](C)c1cccn1CC(=O)N[*:1]
COC(=O)[C@H](NS(C)(=O)=O)c1ccc(C)cc1 CS(=O)(=O)N[*:1] COC(=O)[C@H](c1ccc(C)cc1)[*:1]
COC(=O)[C@H](NS(C)(=O)=O)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@@H](NS(C)(=O)=O)[*:1]
C[C@@H]1c2ccccc2CCN1C(=O)c1cccnc1 c1cncc(c1)[*:1] C[C@@H]1c2ccccc2CCN1C(=O)[*:1]
C=CCC[C@@H](NC(=O)C=C1CCSCC1)c1ccccc1 C=CC[*:1] O=C(C=C1CCSCC1)N[C@H](C[*:1])c1ccccc1
C=CCC[C@@H](NC(=O)C=C1CCSCC1)c1ccccc1 c1ccc(cc1)[*:1] C=CCC[C@@H](NC(=O)C=C1CCSCC1)[*:1]
C=CCC[C@@H](NC(=O)C=C1CCSCC1)c1ccccc1 C=CCC[*:1] O=C(C=C1CCSCC1)N[C@@H](c1ccccc1)[*:1]
O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@@H]1C[C@@H]2CCCc3cccc1c32 C1CCN(C1)[*:1] O=C(NCc1ccc([nH+]c1)[*:1])N[C@@H]1C[C@@H]2CCCc3cccc1c32
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCc1ccc(F)cc1 O=C(N[*:1])c1ccccc1 Cc1ccc(cc1NC(=O)NCc1ccc(F)cc1)[*:1]
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1NC(=O)N[*:1])NC(=O)c1ccccc1
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])NC(=O)c1ccccc1
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCc1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)NCc1ccc(F)cc1)NC(=O)[*:1]
COC(=O)c1ccc(COc2cccc(C)c2N)cc1 COC(=O)[*:1] Cc1cccc(OCc2ccc(cc2)[*:1])c1N
CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)[O-] O=C([O-])[*:1] CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21[*:1]
CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)[O-] CC(C)[*:1] O=C1CC[C@]2(C(=O)[O-])N1c1ccccc1C(=O)N2[*:1]
CCOC1CCN(/C(NCC(C)(C)c2cccc(F)c2)=[NH+]\C)CC1 Fc1cccc(c1)[*:1] CCOC1CCN(CC1)/C(NCC(C)(C)[*:1])=[NH+]\C
CCOC1CCN(/C(NCC(C)(C)c2cccc(F)c2)=[NH+]\C)CC1 CCO[*:1] C/[NH+]=C(/NCC(C)(C)c1cccc(F)c1)N1CCC(CC1)[*:1]
CCOc1ccccc1C(=O)N[C@H](C)C[C@@H](O)c1ccco1 c1coc(c1)[*:1] CCOc1ccccc1C(=O)N[C@H](C)C[C@@H](O)[*:1]
CCOc1ccccc1C(=O)N[C@H](C)C[C@@H](O)c1ccco1 CCO[*:1] C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1ccccc1[*:1]
Cc1nn(C)c(C)c1CC(=O)Nc1ccc(-n2cccn2)c(Cl)c1 Cc1nn(C)c(C)c1[*:1] O=C(C[*:1])Nc1ccc(c(Cl)c1)-n1cccn1
Cc1nn(C)c(C)c1CC(=O)Nc1ccc(-n2cccn2)c(Cl)c1 c1cnn(c1)[*:1] Cc1nn(C)c(C)c1CC(=O)Nc1ccc(c(Cl)c1)[*:1]
Cc1csc(C(=O)Nc2ccc3c4c(c(=O)[nH]c3c2)CCCC4)c1 Cc1csc(c1)[*:1] O=C(Nc1ccc2c3CCCCc3c(=O)[nH]c2c1)[*:1]
Cc1ccc(SCCNC(=O)CSc2ccc(Cl)nn2)cc1 Clc1ccc(nn1)[*:1] Cc1ccc(cc1)SCCNC(=O)CS[*:1]
Cc1ccc(SCCNC(=O)CSc2ccc(Cl)nn2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1ccc(Cl)nn1)NCCS[*:1]
COC(=O)C(C)(C)NC(=O)c1ccc(-c2cccc(Br)c2)nc1C Brc1cccc(c1)[*:1] COC(=O)C(C)(C)NC(=O)c1ccc(nc1C)[*:1]
COC(=O)C(C)(C)NC(=O)c1ccc(-c2cccc(Br)c2)nc1C COC(=O)[*:1] Cc1nc(ccc1C(=O)NC(C)(C)[*:1])-c1cccc(Br)c1
COC(=O)C(C)(C)NC(=O)c1ccc(-c2cccc(Br)c2)nc1C COC(=O)C(C)(C)[*:1] Cc1nc(ccc1C(=O)N[*:1])-c1cccc(Br)c1
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc(NC(=O)c2ccco2)c1 Clc1ccc(s1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cccc(c1)NC(=O)c1ccco1
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc(NC(=O)c2ccco2)c1 c1coc(c1)[*:1] O=C(Nc1nc(cs1)-c1ccc(Cl)s1)c1cccc(c1)NC(=O)[*:1]
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc(NC(=O)c2ccco2)c1 O=C(N[*:1])c1ccco1 O=C(Nc1nc(cs1)-c1ccc(Cl)s1)c1cccc(c1)[*:1]
CC(C)C[C@H](C)N(C)C(=O)CN1CCN(c2cccc[nH+]2)CC1 CC(C)C[*:1] C[C@H](N(C)C(=O)CN1CCN(CC1)c1cccc[nH+]1)[*:1]
CC(C)C[C@H](C)N(C)C(=O)CN1CCN(c2cccc[nH+]2)CC1 CC(C)[*:1] C[C@@H](C[*:1])N(C)C(=O)CN1CCN(CC1)c1cccc[nH+]1
CC(C)C[C@H](C)N(C)C(=O)CN1CCN(c2cccc[nH+]2)CC1 CC(C)C[C@H](C)[*:1] CN(C(=O)CN1CCN(CC1)c1cccc[nH+]1)[*:1]
CO[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 CO[C@H](C)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)[*:1]
Cc1ccc(-n2nc(N3CCN(S(C)(=O)=O)CC3)ccc2=O)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)N1CCN(CC1)c1ccc(=O)n(n1)[*:1]
CCCc1ccccc1-n1nnc(N)c1C(C)(C)C CCC[*:1] CC(C)(C)c1c(N)nnn1-c1ccccc1[*:1]
CCCc1ccccc1-n1nnc(N)c1C(C)(C)C CC(C)(C)[*:1] CCCc1ccccc1-n1nnc(N)c1[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N(C)CCC#N c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N(C)CCC#N)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N(C)CCC#N N#CC[*:1] Cc1ccc(cc1NC(=O)N(C)C[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)N(C)CCC#N N#CCC[*:1] Cc1ccc(cc1NC(=O)N(C)[*:1])-c1ncco1
C[C@@H](O)CCC(=O)Nc1cccc(NC(N)=O)c1 C[C@@H](O)[*:1] NC(=O)Nc1cccc(c1)NC(=O)CC[*:1]
C[C@@H](O)CCC(=O)Nc1cccc(NC(N)=O)c1 C[C@@H](O)C[*:1] NC(=O)Nc1cccc(c1)NC(=O)C[*:1]
C[C@@H](O)CCC(=O)Nc1cccc(NC(N)=O)c1 C[C@@H](O)CC[*:1] NC(=O)Nc1cccc(c1)NC(=O)[*:1]
C[C@@H](O)CCC(=O)Nc1cccc(NC(N)=O)c1 NC(=O)N[*:1] C[C@@H](O)CCC(=O)Nc1cccc(c1)[*:1]
CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)NC3CCCC3)ccc21 CC(C)[*:1] CC1(C)CN(C(=O)[*:1])c2ccc(cc21)S(=O)(=O)NC1CCCC1
CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)NC3CCCC3)ccc21 C1CCC(C1)[*:1] CC(C)C(=O)N1CC(C)(C)c2cc(ccc21)S(=O)(=O)N[*:1]
Cc1c(N2C(=O)[C@H](C)S[C@]23C(=O)Nc2ccccc23)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(c(=O)n(n1C)[*:1])N1C(=O)[C@H](C)S[C@]12C(=O)Nc1ccccc12
CCC[C@H](c1cccs1)n1c(N)nc2c(C)nn(CC)c21 c1csc(c1)[*:1] CCC[C@H](n1c(N)nc2c(C)nn(CC)c21)[*:1]
CCC[C@H](c1cccs1)n1c(N)nc2c(C)nn(CC)c21 CCC[*:1] CCn1nc(C)c2nc(N)n(c21)[C@@H](c1cccs1)[*:1]
Cc1[nH]c[nH+]c1[C@H]1C(c2ccccc2)=NCN1CCc1nc(C(C)C)no1 CC(C)c1noc(C[*:1])n1 Cc1[nH]c[nH+]c1[C@H]1C(=NCN1C[*:1])c1ccccc1
Cc1[nH]c[nH+]c1[C@H]1C(c2ccccc2)=NCN1CCc1nc(C(C)C)no1 c1ccc(cc1)[*:1] Cc1[nH]c[nH+]c1[C@H]1C(=NCN1CCc1nc(no1)C(C)C)[*:1]
Cc1[nH]c[nH+]c1[C@H]1C(c2ccccc2)=NCN1CCc1nc(C(C)C)no1 CC(C)[*:1] Cc1[nH]c[nH+]c1[C@H]1C(=NCN1CCc1nc(no1)[*:1])c1ccccc1
Cc1[nH]c[nH+]c1[C@H]1C(c2ccccc2)=NCN1CCc1nc(C(C)C)no1 CC(C)c1noc(n1)[*:1] Cc1[nH]c[nH+]c1[C@H]1C(=NCN1CC[*:1])c1ccccc1
C[C@H]1CCC[C@](C#N)([C@H](O)c2ccc([C@@H]3C[C@@H]3C)o2)C1 C[C@H]1C[C@H]1[*:1] C[C@H]1CCC[C@@](C#N)(C1)[C@H](O)c1ccc(o1)[*:1]
CCOC(=O)N1CCC[C@H](C(=O)Oc2ccccc2C(F)(F)F)C1 FC(F)(F)[*:1] CCOC(=O)N1CCC[C@@H](C1)C(=O)Oc1ccccc1[*:1]
CSC[C@H](CCO)[NH2+]Cc1cccc2ccccc12 CSC[*:1] OCC[C@H]([NH2+]Cc1cccc2ccccc12)[*:1]
CSC[C@H](CCO)[NH2+]Cc1cccc2ccccc12 OCC[*:1] CSC[C@H]([NH2+]Cc1cccc2ccccc12)[*:1]
Cc1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1F)NC(=O)CNC(=O)c1cccc(c1)[*:1]
Cc1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1F Cc1ccc(cc1F)[*:1] O=C(CNC(=O)c1cccc(c1)[N+](=O)[O-])N[*:1]
Cc1ccc(-c2nc3nc(C)cc(N[C@H](C)c4ccccc4)n3n2)cc1 C[C@H](c1ccccc1)[*:1] Cc1ccc(cc1)-c1nc2nc(C)cc(N[*:1])n2n1
Cc1ccc(-c2nc3nc(C)cc(N[C@H](C)c4ccccc4)n3n2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(N[C@H](C)c2ccccc2)n2nc(nc2n1)[*:1]
Cc1ccc(-c2nc3nc(C)cc(N[C@H](C)c4ccccc4)n3n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc2nc(C)cc(N[C@H](C)[*:1])n2n1
CN(C(=O)CCNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc(F)cc1 CS(=O)(=O)NC[*:1] CN(C(=O)C[*:1])[C@@H](c1ccccc1)c1ccc(F)cc1
CN(C(=O)CCNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CN(C(=O)CCNS(C)(=O)=O)[C@@H](c1ccc(F)cc1)[*:1]
CN(C(=O)CCNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc(F)cc1 CS(=O)(=O)NCC[*:1] CN(C(=O)[*:1])[C@@H](c1ccccc1)c1ccc(F)cc1
CN(C(=O)CCNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)CCNS(C)(=O)=O)[C@@H](c1ccccc1)[*:1]
CN(C(=O)CCNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc(F)cc1 CS(=O)(=O)N[*:1] CN(C(=O)CC[*:1])[C@@H](c1ccccc1)c1ccc(F)cc1
CCN(CC)[C@@H](C)C[NH2+]Cc1cccc2cn[nH]c12 CCN(CC)[*:1] C[C@@H](C[NH2+]Cc1cccc2cn[nH]c12)[*:1]
Cc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2c(C)cccc2C)o1 Cc1cccc(C)c1[*:1] Cc1ccc(/C=C/C(=O)N(C)CC(=O)N[*:1])o1
Cc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2c(C)cccc2C)o1 Cc1ccc(o1)[*:1] Cc1cccc(C)c1NC(=O)CN(C)C(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2c(C)cccc2C)o1 Cc1ccc(C=C[*:1])o1 Cc1cccc(C)c1NC(=O)CN(C)C(=O)[*:1]
Cc1nc(N(C)C)ncc1C(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] CN(C)[*:1] Cc1nc(ncc1C(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+])[*:1]
CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)C1=O NC(=O)[*:1] CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](Oc3ccccc32)[*:1])C1=O
O=C(N[C@@]1(C(=O)[O-])CCSC1)c1nc(C2CC2)n[nH]1 O=C([O-])[*:1] O=C(N[C@]1(CCSC1)[*:1])c1nc(n[nH]1)C1CC1
O=C(N[C@@]1(C(=O)[O-])CCSC1)c1nc(C2CC2)n[nH]1 C1CC1[*:1] O=C(N[C@]1(CCSC1)C(=O)[O-])c1nc(n[nH]1)[*:1]
Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)on1 c1ccc(cc1)[*:1] Cc1cc(on1)C(=O)N(C[C@@H](O)c1cccs1)C[*:1]
Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)on1 c1csc(c1)[*:1] Cc1cc(on1)C(=O)N(Cc1ccccc1)C[C@@H](O)[*:1]
Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)on1 Cc1cc(on1)[*:1] O=C(N(Cc1ccccc1)C[C@@H](O)c1cccs1)[*:1]
Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)on1 c1ccc(cc1)C[*:1] Cc1cc(on1)C(=O)N(C[C@@H](O)c1cccs1)[*:1]
CC(=O)NCCNC(=O)c1cnn(C(C)(C)C)c1 CC(=O)NCC[*:1] CC(C)(C)n1cc(cn1)C(=O)N[*:1]
CC(=O)NCCNC(=O)c1cnn(C(C)(C)C)c1 CC(=O)N[*:1] CC(C)(C)n1cc(cn1)C(=O)NCC[*:1]
CC(=O)NCCNC(=O)c1cnn(C(C)(C)C)c1 CC(=O)NC[*:1] CC(C)(C)n1cc(cn1)C(=O)NC[*:1]
CC(=O)NCCNC(=O)c1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] CC(=O)NCCNC(=O)c1cnn(c1)[*:1]
COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 c1nnnn1[*:1] COc1cc(c(Cl)cc1C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C)[*:1]
O=C(c1ccccc1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 Fc1cccc(F)c1[*:1] O=C(c1ccccc1)N1CCC[C@@H](CC[*:1])C1
O=C(c1ccccc1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 c1ccc(cc1)[*:1] O=C(N1CCC[C@@H](CCc2c(F)cccc2F)C1)[*:1]
C[C@H]1CC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H]1CC(=O)N(CC(=O)Nc2ccc(cc2)C(F)(F)F)N=C1[*:1]
C[C@H]1CC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1 FC(F)(F)[*:1] C[C@H]1CC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])N=C1c1ccc(Cl)cc1
O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] O=C(NCC1(CCOCC1)c1ccc2OCOc2c1)[C@@H]1C[C@@H]1[*:1]
O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 c1cc2OCOc2cc1[*:1] O=C(NCC1(CCOCC1)[*:1])[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccccc1NCc1ccccc1 c1ccc(cc1)CN[*:1] C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccccc1[*:1]
C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccccc1NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccccc1N[*:1]
C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccccc1NCc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccccc1NC[*:1]
COc1ccc(F)cc1NC(=O)N[C@H](C)CN1CCN(c2cccc[nH+]2)CC1 COc1ccc(F)cc1[*:1] C[C@H](CN1CCN(CC1)c1cccc[nH+]1)NC(=O)N[*:1]
C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O c1coc(c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O)[*:1]
C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O Fc1cccc(c1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccco1
Cc1ccc2[nH]cc(CCC(=O)N[C@@H](c3ccccn3)C(C)C)c2c1 c1ccc(nc1)[*:1] Cc1ccc2[nH]cc(CCC(=O)N[C@@H](C(C)C)[*:1])c2c1
Cc1ccc2[nH]cc(CCC(=O)N[C@@H](c3ccccn3)C(C)C)c2c1 CC(C)[*:1] Cc1ccc2[nH]cc(CCC(=O)N[C@@H](c3ccccn3)[*:1])c2c1
COc1cccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)c1 COc1cccc(c1)[*:1] O=C(N/N=C/c1ccccc1)c1cc(n[nH]1)[*:1]
COc1cccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1cc([nH]n1)C(=O)NN=C[*:1]
FC(F)(F)c1ccc2c(N3CCCN(c4ncccn4)CC3)ncc(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] FC(F)(F)c1ccc2c(ncc(c2n1)[*:1])N1CCCN(CC1)c1ncccn1
FC(F)(F)c1ccc2c(N3CCCN(c4ncccn4)CC3)ncc(-c3ccccc3)c2n1 FC(F)(F)[*:1] c1ccc(cc1)-c1cnc(c2ccc(nc12)[*:1])N1CCCN(CC1)c1ncccn1
FC(F)(F)c1ccc2c(N3CCCN(c4ncccn4)CC3)ncc(-c3ccccc3)c2n1 c1cnc(nc1)[*:1] FC(F)(F)c1ccc2c(ncc(-c3ccccc3)c2n1)N1CCCN(CC1)[*:1]
CC(C)CN1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 CC(C)[*:1] CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(CC2)C[*:1])o1
CC(C)CN1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 CN(C)S(=O)(=O)[*:1] CC(C)CN1CC[NH+](CC1)Cc1ccc(o1)[*:1]
CC(C)CN1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 CC(C)C[*:1] CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(CC2)[*:1])o1
CNS(=O)(=O)CC(=O)N1CCc2ccc(F)cc2[C@H]1C CNS(=O)(=O)C[*:1] C[C@@H]1c2cc(F)ccc2CCN1C(=O)[*:1]
CNS(=O)(=O)CC(=O)N1CCc2ccc(F)cc2[C@H]1C CNS(=O)(=O)[*:1] C[C@@H]1c2cc(F)ccc2CCN1C(=O)C[*:1]
COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] COc1ccc(Br)cc1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 COc1ccc(Br)cc1[*:1] O=C(NCc1ccco1)c1ccc(cc1)NC(=O)[*:1]
COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 O=C(NCc1ccco1)[*:1] COc1ccc(Br)cc1C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] COc1ccc(Br)cc1C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
Cc1ccc(N([C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1C c1ccc(cc1)[*:1] Cc1ccc(cc1C)N([C@@H](C)C(=O)N1CCC(CC1)C[*:1])S(C)(=O)=O
Cc1ccc(N([C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](C(=O)N1CCC(CC1)Cc1ccccc1)N(S(C)(=O)=O)[*:1]
Cc1ccc(N([C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1C c1ccc(cc1)C[*:1] Cc1ccc(cc1C)N([C@@H](C)C(=O)N1CCC(CC1)[*:1])S(C)(=O)=O
Cc1ccc(NC(=O)C2CC[NH+](CCCNS(C)(=O)=O)CC2)nc1 Cc1ccc(nc1)[*:1] CS(=O)(=O)NCCC[NH+]1CCC(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)C2CC[NH+](CCCNS(C)(=O)=O)CC2)nc1 CS(=O)(=O)NCC[*:1] Cc1ccc(nc1)NC(=O)C1CC[NH+](CC1)C[*:1]
Cc1ccc(NC(=O)C2CC[NH+](CCCNS(C)(=O)=O)CC2)nc1 CS(=O)(=O)N[*:1] Cc1ccc(nc1)NC(=O)C1CC[NH+](CCC[*:1])CC1
Cc1ccc(NC(=O)C2CC[NH+](CCCNS(C)(=O)=O)CC2)nc1 CS(=O)(=O)NC[*:1] Cc1ccc(nc1)NC(=O)C1CC[NH+](CC1)CC[*:1]
Cc1ccc(NC(=O)C2CC[NH+](CCCNS(C)(=O)=O)CC2)nc1 CS(=O)(=O)NCCC[*:1] Cc1ccc(nc1)NC(=O)C1CC[NH+](CC1)[*:1]
CC(C)=C[C@H]1[C@@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1(C)C CC(C)=C[*:1] CC1(C)[C@H]([C@H]1C(=O)N1CCO[C@@H](C1)c1ccc(F)cc1)[*:1]
CC(C)=C[C@H]1[C@@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1(C)C Fc1ccc(cc1)[*:1] CC(C)=C[C@H]1[C@@H](C(=O)N2CCO[C@H](C2)[*:1])C1(C)C
C[C@@H]1CN(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)C(C)(C)CO1 Clc1ccc(cc1)[*:1] C[C@@H]1CN(C(C)(C)CO1)S(=O)(=O)N(C)C[*:1]
Cc1nnc(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)n1N c1ccc(cc1)C[*:1] Cc1nnc(S[C@@H](C)C(=O)N(C(C)C)[*:1])n1N
Cc1nnc(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)n1N c1ccc(cc1)[*:1] Cc1nnc(S[C@@H](C)C(=O)N(C[*:1])C(C)C)n1N
Cc1nnc(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)n1N Cc1nnc(n1N)[*:1] CC(C)N(Cc1ccccc1)C(=O)[C@H](C)S[*:1]
Cc1nnc(S[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)n1N CC(C)[*:1] Cc1nnc(S[C@@H](C)C(=O)N(Cc2ccccc2)[*:1])n1N
O=S(=O)(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 c1csc(c1)[*:1] O=S(=O)(NCC1CC[NH+](CC1)C[*:1])c1ccc(F)cc1
O=S(=O)(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 c1csc(c1)C[*:1] O=S(=O)(NCC1CC[NH+](CC1)[*:1])c1ccc(F)cc1
O=S(=O)(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=S(=O)(NCC1CC[NH+](CC1)Cc1cccs1)[*:1]
CO[C@@H](C)C(=O)NNC(=O)CNc1ccc(C)cc1 CO[C@@H](C)[*:1] Cc1ccc(cc1)NCC(=O)NNC(=O)[*:1]
CC[C@H](C)[NH2+]C[C@@H](C)Sc1ccncc1 CC[C@H](C)[*:1] C[C@H](C[NH2+][*:1])Sc1ccncc1
COc1ccc2[nH]cc(CCNC(=O)CSc3ccc(C)cc3)c2c1 Cc1ccc(cc1)S[*:1] COc1ccc2[nH]cc(CCNC(=O)C[*:1])c2c1
COc1ccc2[nH]cc(CCNC(=O)CSc3ccc(C)cc3)c2c1 Cc1ccc(cc1)[*:1] COc1ccc2[nH]cc(CCNC(=O)CS[*:1])c2c1
O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc(=O)oc1 O=C1CSC(=O)N1[*:1] O=C(N[C@H]1CCCC[C@@H]1[*:1])c1ccc(=O)oc1
O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccc(=O)oc1 O=c1ccc(co1)[*:1] O=C1CSC(=O)N1[C@@H]1CCCC[C@@H]1NC(=O)[*:1]
CC(C)NC(=O)N[C@@H](C)c1cnn(C)c1 CC(C)[*:1] C[C@H](NC(=O)N[*:1])c1cnn(C)c1
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N[C@H](C)[C@@H](C)CO CC(C)CNC(=O)[*:1] Cc1cc(ccc1NC(=O)N[C@H](C)[C@@H](C)CO)[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N[C@H](C)[C@@H](C)CO CC(C)[*:1] Cc1cc(ccc1NC(=O)N[C@H](C)[C@@H](C)CO)C(=O)NC[*:1]
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N[C@H](C)[C@@H](C)CO CC(C)C[*:1] Cc1cc(ccc1NC(=O)N[C@H](C)[C@@H](C)CO)C(=O)N[*:1]
CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 O=[S@@](c1ccccc1)[*:1] CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(c1)C[*:1]
CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 O=[S@](C[*:1])c1ccccc1 CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(c1)[*:1]
CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(c1)C[S@@](=O)[*:1]
O=C(NCCCOCc1ccco1)N1CCCSCC1 c1coc(c1)C[*:1] O=C(NCCCO[*:1])N1CCCSCC1
O=C(NCCCOCc1ccco1)N1CCCSCC1 c1coc(c1)[*:1] O=C(NCCCOC[*:1])N1CCCSCC1
CC(C)NC(=O)CNc1ccc(Cl)c(Cl)c1 CC(C)[*:1] O=C(CNc1ccc(Cl)c(Cl)c1)N[*:1]
CN(C(=O)Nc1cn[nH]c1)[C@H]1CCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] CN(C(=O)Nc1cn[nH]c1)[C@H]1CCN(C1=O)[*:1]
CN(C(=O)Nc1cn[nH]c1)[C@H]1CCN(c2ccccc2F)C1=O c1n[nH]cc1[*:1] CN(C(=O)N[*:1])[C@H]1CCN(C1=O)c1ccccc1F
N#Cc1ccccc1N1CCN(CCO)CC1 OCC[*:1] N#Cc1ccccc1N1CCN(CC1)[*:1]
CCN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1cccnc1 c1cncc(c1)[*:1] CCN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)[*:1]
COCCN1C[C@@H](C(=O)Nc2cc(C)nn2Cc2ccccc2)CC1=O COCC[*:1] Cc1cc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])n(Cc2ccccc2)n1
COCCN1C[C@@H](C(=O)Nc2cc(C)nn2Cc2ccccc2)CC1=O c1ccc(cc1)[*:1] COCCN1C[C@H](CC1=O)C(=O)Nc1cc(C)nn1C[*:1]
COCCN1C[C@@H](C(=O)Nc2cc(C)nn2Cc2ccccc2)CC1=O c1ccc(cc1)C[*:1] COCCN1C[C@H](CC1=O)C(=O)Nc1cc(C)nn1[*:1]
COCCN1C[C@@H](C(=O)Nc2cc(C)nn2Cc2ccccc2)CC1=O COC[*:1] Cc1cc(NC(=O)[C@H]2CC(=O)N(C2)C[*:1])n(Cc2ccccc2)n1
CC[C@](C)(NCC(=O)NC(=O)Nc1ccccc1)c1nccs1 c1csc(n1)[*:1] CC[C@](C)(NCC(=O)NC(=O)Nc1ccccc1)[*:1]
CC[C@](C)(NCC(=O)NC(=O)Nc1ccccc1)c1nccs1 c1ccc(cc1)[*:1] CC[C@](C)(NCC(=O)NC(=O)N[*:1])c1nccs1
O=C(NC(C1CC1)C1CC1)c1ccc(-n2cccc2)cc1 C1CC1[*:1] O=C(NC(C1CC1)[*:1])c1ccc(cc1)-n1cccc1
O=C(NC(C1CC1)C1CC1)c1ccc(-n2cccc2)cc1 c1ccn(c1)[*:1] O=C(NC(C1CC1)C1CC1)c1ccc(cc1)[*:1]
O=C(NC(C1CC1)C1CC1)c1ccc(-n2cccc2)cc1 C1CC1C(C1CC1)[*:1] O=C(N[*:1])c1ccc(cc1)-n1cccc1
C[C@@H]1CC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H](C)O1 O=[N+]([O-])[*:1] C[C@@H]1CC(C[C@@H](C)O1)NC(=O)c1cc(c[nH]c1=O)[*:1]
COC[C@H](C)NC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COC[C@H](C)NC(=O)N1C[C@@H](C)OC[C@H]1[*:1]
COC[C@H](C)NC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 COC[C@H](C)[*:1] C[C@@H]1CN(C(=O)N[*:1])[C@H](CO1)c1ccccc1
COC[C@H](C)NC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 COC[*:1] C[C@H](NC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1)[*:1]
C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C[C@H]([NH2+]C1CCN(CC1)c1nccs1)c1cccc(c1)[*:1]
C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(N2CCOC2=O)c1 c1csc(n1)[*:1] C[C@H]([NH2+]C1CCN(CC1)[*:1])c1cccc(c1)N1CCOC1=O
CCOc1ccc(F)c(C(=O)N[C@@H]2CCCC[C@@H]2C)c1F CCO[*:1] C[C@H]1CCCC[C@H]1NC(=O)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(F)c(C(=O)N[C@@H]2CCCC[C@@H]2C)c1F C[C@H]1CCCC[C@H]1[*:1] CCOc1ccc(F)c(C(=O)N[*:1])c1F
CC(C)CN(CC(C)C)C(=O)CN1C(=O)NC(C)(C)C1=O CC(C)[*:1] CC(C)CN(C[*:1])C(=O)CN1C(=O)NC(C)(C)C1=O
CC(C)CN(CC(C)C)C(=O)CN1C(=O)NC(C)(C)C1=O CC(C)C[*:1] CC(C)CN(C(=O)CN1C(=O)NC(C)(C)C1=O)[*:1]
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CCC(=O)O1 CC(C)[*:1] O=C1CC[C@H](O1)C(=O)Nc1cc(Cl)ccc1C(=O)N[*:1]
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CCC(=O)O1 CC(C)NC(=O)[*:1] O=C1CC[C@H](O1)C(=O)Nc1cc(Cl)ccc1[*:1]
CCS(=O)(=O)CCN(C)C(=O)C(C)C CC(C)[*:1] CCS(=O)(=O)CCN(C)C(=O)[*:1]
Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4ccsc4)CC3)cccc2c1 c1cc(cs1)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
CC[C@@H]1CCCC[C@@]1(O)[C@H](F)C(=O)[O-] O=C([O-])[*:1] CC[C@@H]1CCCC[C@@]1(O)[C@H](F)[*:1]
CCC[C@@H]1C(=O)NC(=O)C[C@]1(C)CCOC CCC[*:1] COCC[C@@]1(C)CC(=O)NC(=O)[C@H]1[*:1]
CCC[C@@H]1C(=O)NC(=O)C[C@]1(C)CCOC COCC[*:1] CCC[C@@H]1C(=O)NC(=O)C[C@@]1(C)[*:1]
CCC[C@@H]1C(=O)NC(=O)C[C@]1(C)CCOC COC[*:1] CCC[C@@H]1C(=O)NC(=O)C[C@]1(C)C[*:1]
Cn1c(SCCn2cccn2)nnc1-c1ccco1 c1coc(c1)[*:1] Cn1c(nnc1[*:1])SCCn1cccn1
Cn1c(SCCn2cccn2)nnc1-c1ccco1 c1cnn(c1)[*:1] Cn1c(nnc1-c1ccco1)SCC[*:1]
Cn1c(SCCn2cccn2)nnc1-c1ccco1 c1cnn(c1)C[*:1] Cn1c(nnc1-c1ccco1)SC[*:1]
CSc1ncnc2c1ncn2[C@H]1CCCS1 C1CS[C@H](C1)[*:1] CSc1ncnc2c1ncn2[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N1CC[C@H]2OCCC[C@@H]2C1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)N1CC[C@H]2OCCC[C@@H]2C1)[*:1]
Cc1cc(C(=O)NC2CC2)sc1/C=C/C(=O)[O-] O=C([O-])[*:1] Cc1cc(sc1C=C[*:1])C(=O)NC1CC1
Cc1cc(C(=O)NC2CC2)sc1/C=C/C(=O)[O-] C1CC1[*:1] Cc1cc(sc1/C=C/C(=O)[O-])C(=O)N[*:1]
Cc1cc(C(=O)NC2CC2)sc1/C=C/C(=O)[O-] O=C([O-])C=C[*:1] Cc1cc(sc1[*:1])C(=O)NC1CC1
CCC[NH2+][C@H]1c2cc(OC)ccc2S[C@H](C)[C@@H]1C CCC[*:1] COc1ccc2S[C@H](C)[C@H](C)[C@@H]([NH2+][*:1])c2c1
C[C@@H](NC(=S)Nc1ccc(C#N)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=S)Nc1ccc(C#N)cc1)[*:1]
O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=S(=O)(c1cccs1)N1CCCc2cc(ccc21)NS(=O)(=O)[*:1]
O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1cccc(Cl)c1 c1csc(c1)[*:1] O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1])c1cccc(Cl)c1
CC(C)[C@@](C)(O)CNC(=O)C(=O)N1C[C@H](C)c2ccccc21 CC(C)[C@@](C)(O)[*:1] C[C@H]1CN(C(=O)C(=O)NC[*:1])c2ccccc21
CC(C)[C@@](C)(O)CNC(=O)C(=O)N1C[C@H](C)c2ccccc21 CC(C)[*:1] C[C@H]1CN(C(=O)C(=O)NC[C@@](C)(O)[*:1])c2ccccc21
CC(C)[C@@](C)(O)CNC(=O)C(=O)N1C[C@H](C)c2ccccc21 CC(C)[C@@](C)(O)C[*:1] C[C@H]1CN(C(=O)C(=O)N[*:1])c2ccccc21
CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1 CCOC(=O)[*:1] Cc1cccc(n1)NC(=O)[C@H]1CC(=O)N(C1)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1 Cc1cccc(n1)[*:1] CCOC(=O)c1ccc(cc1)N1C[C@H](CC1=O)C(=O)N[*:1]
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCCCCC1 C1CCCC(CC1)[*:1] C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[*:1]
Oc1ccc(C[NH+](Cc2ccco2)Cc2nc(-c3ccco3)no2)cc1 c1coc(c1)C[*:1] Oc1ccc(cc1)C[NH+](Cc1nc(no1)-c1ccco1)[*:1]
Oc1ccc(C[NH+](Cc2ccco2)Cc2nc(-c3ccco3)no2)cc1 Oc1ccc(cc1)[*:1] c1coc(c1)C[NH+](Cc1nc(no1)-c1ccco1)C[*:1]
Oc1ccc(C[NH+](Cc2ccco2)Cc2nc(-c3ccco3)no2)cc1 Oc1ccc(cc1)C[*:1] c1coc(c1)C[NH+](Cc1nc(no1)-c1ccco1)[*:1]
Oc1ccc(C[NH+](Cc2ccco2)Cc2nc(-c3ccco3)no2)cc1 c1coc(c1)[*:1] Oc1ccc(cc1)C[NH+](Cc1ccco1)Cc1nc(no1)[*:1]
Oc1ccc(C[NH+](Cc2ccco2)Cc2nc(-c3ccco3)no2)cc1 c1coc(c1)[*:1] Oc1ccc(cc1)C[NH+](Cc1nc(no1)-c1ccco1)C[*:1]
O=C([C@H]1CSc2nccc(=O)n2C1)N1CCN(CCO)CC1 OCC[*:1] O=C([C@H]1CSc2nccc(=O)n2C1)N1CCN(CC1)[*:1]
COc1ccc([C@H]2C[C@H](C)N(C(=O)C3(O)Cc4ccccc4C3)C2)cc1 COc1ccc(cc1)[*:1] C[C@H]1C[C@@H](CN1C(=O)C1(O)Cc2ccccc2C1)[*:1]
CO[C@@H](C)C(=O)Nc1ccc(F)c(NC(C)=O)c1 CO[C@@H](C)[*:1] CC(=O)Nc1cc(ccc1F)NC(=O)[*:1]
CO[C@@H](C)C(=O)Nc1ccc(F)c(NC(C)=O)c1 CC(=O)N[*:1] CO[C@@H](C)C(=O)Nc1ccc(F)c(c1)[*:1]
CC[C@@H](C)NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 C1C[C@H](CO1)[*:1] CC[C@@H](C)NC(=O)NC[C@H](N1CCOCC1)[*:1]
CC[C@@H](C)NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@H](C)NC(=O)NC[C@H]([C@@H]1CCOC1)[*:1]
CC[C@@H](C)NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1 CC[C@@H](C)[*:1] O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)N[*:1]
CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CC[C@H](C#N)Oc1cccc(c1)C[NH2+][C@@H](C)[*:1]
CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1 CC[C@H](C#N)O[*:1] Cc1ccc(cc1)[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1 CC[C@H](C#N)[*:1] Cc1ccc(cc1)[C@H](C)[NH2+]Cc1cccc(c1)O[*:1]
CCNC(=O)c1ccc(CNC(=O)c2cccnc2Cl)cc1 CCNC(=O)[*:1] O=C(NCc1ccc(cc1)[*:1])c1cccnc1Cl
CCNC(=O)c1ccc(CNC(=O)c2cccnc2Cl)cc1 Clc1ncccc1[*:1] CCNC(=O)c1ccc(cc1)CNC(=O)[*:1]
Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3nc(-c4ccccc4)no3)nc12 c1ccc(cc1)[*:1] Cc1cc(C)c2c(n1)sc1c2ncn2nc(nc12)-c1nc(no1)[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)CN2CCc3cc(C)ccc32)C1 CC(=O)N[*:1] Cc1ccc2c(c1)CCN2CC(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(NC(=O)NC[C@@H](O)c2ccco2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)NC[C@@H](O)c1ccco1
Cc1ccc(NC(=O)NC[C@@H](O)c2ccco2)cc1C(=O)N(C)C c1coc(c1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)NC[C@@H](O)[*:1]
O=C(CS[C@@H]1NN=C(C2=NC=CC2)O1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(CS[C@@H]1NN=C(O1)C1CC=CN=1)c1ccc(cc1)[*:1]
O=C(CS[C@@H]1NN=C(C2=NC=CC2)O1)c1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(CS[C@@H]1NN=C(O1)C1CC=CN=1)c1ccc(cc1)O[*:1]
COc1ccc(C(=O)NCC(=O)NCc2cc(Br)ccc2F)cc1OC Fc1ccc(Br)cc1[*:1] COc1ccc(cc1OC)C(=O)NCC(=O)NC[*:1]
Cc1sc2nc(SCc3ccc(C(=O)[O-])cc3)n(Cc3ccco3)c(=O)c2c1C c1coc(c1)[*:1] Cc1sc2nc(SCc3ccc(cc3)C(=O)[O-])n(C[*:1])c(=O)c2c1C
Cc1sc2nc(SCc3ccc(C(=O)[O-])cc3)n(Cc3ccco3)c(=O)c2c1C O=C([O-])[*:1] Cc1sc2nc(SCc3ccc(cc3)[*:1])n(Cc3ccco3)c(=O)c2c1C
Cc1sc2nc(SCc3ccc(C(=O)[O-])cc3)n(Cc3ccco3)c(=O)c2c1C c1coc(c1)C[*:1] Cc1sc2nc(SCc3ccc(cc3)C(=O)[O-])n(c(=O)c2c1C)[*:1]
Cc1sc2nc(SCc3ccc(C(=O)[O-])cc3)n(Cc3ccco3)c(=O)c2c1C O=C([O-])c1ccc(cc1)[*:1] Cc1sc2nc(SC[*:1])n(Cc3ccco3)c(=O)c2c1C
CCOC(=O)[C@H](C)c1nc2cc(Br)ccc2[nH]1 CCOC(=O)[*:1] C[C@H](c1nc2cc(Br)ccc2[nH]1)[*:1]
CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C CCc1cccc(C)c1[*:1] Cn1c(=O)c(=O)n(C)c2cc(ccc21)S(=O)(=O)N[*:1]
CN(C[C@H]1N=NC2=C1CCCCC2)C(=O)[C@H]1C[C@@H](c2cccn2C)N=N1 Cn1cccc1[*:1] CN(C[C@H]1N=NC2CCCCCC=21)C(=O)[C@H]1C[C@@H](N=N1)[*:1]
CCc1ccc(CNC(=O)c2nn(-c3ccccc3Cl)nc2CO)cc1 Clc1ccccc1[*:1] CCc1ccc(cc1)CNC(=O)c1nn(nc1CO)[*:1]
CCc1ccc(CNC(=O)c2nn(-c3ccccc3Cl)nc2CO)cc1 CCc1ccc(cc1)[*:1] O=C(NC[*:1])c1nn(nc1CO)-c1ccccc1Cl
Cc1cnc2c(c1)nc(N)n2Cc1nc(C)cs1 Cc1csc(n1)[*:1] Cc1cnc2c(c1)nc(N)n2C[*:1]
O=C(Nc1ccc2ccccc2c1)C1=C(c2ccccc2)S(=O)(=O)CCO1 c1ccc(cc1)[*:1] O=C(Nc1ccc2ccccc2c1)C1OCCS(=O)(=O)C=1[*:1]
C=CCN1C(=O)C=C(c2ccco2)Nc2ccc(C)cc21 C=CC[*:1] Cc1ccc2NC(=CC(=O)N(c2c1)[*:1])c1ccco1
C=CCN1C(=O)C=C(c2ccco2)Nc2ccc(C)cc21 c1coc(c1)[*:1] C=CCN1C(=O)C=C(Nc2ccc(C)cc21)[*:1]
CCCc1noc(CCCc2nc(-c3ccncc3)no2)n1 CCC[*:1] c1cc(ccn1)-c1noc(CCCc2nc(no2)[*:1])n1
CCCc1noc(CCCc2nc(-c3ccncc3)no2)n1 c1cc(ccn1)[*:1] CCCc1noc(CCCc2nc(no2)[*:1])n1
O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)Nc1ccc(Cl)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] O=C(NC1CC1)C1CCN(CC1)c1ccc(nn1)SC[*:1]
O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CSc1ccc(nn1)N1CCC(CC1)C(=O)NC1CC1)N[*:1]
O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)Nc1ccc(Cl)cc1 C1CC1[*:1] O=C(CSc1ccc(nn1)N1CCC(CC1)C(=O)N[*:1])Nc1ccc(Cl)cc1
O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)Nc1ccc(Cl)cc1 O=C(NC1CC1)[*:1] O=C(CSc1ccc(nn1)N1CCC(CC1)[*:1])Nc1ccc(Cl)cc1
CC(C)OCCCNC(=O)c1sc2ccccc2c1Cl CC(C)O[*:1] O=C(NCCC[*:1])c1sc2ccccc2c1Cl
CC(C)OCCCNC(=O)c1sc2ccccc2c1Cl CC(C)OCC[*:1] O=C(NC[*:1])c1sc2ccccc2c1Cl
CC(C)OCCCNC(=O)c1sc2ccccc2c1Cl CC(C)OC[*:1] O=C(NCC[*:1])c1sc2ccccc2c1Cl
CC(C)OCCCNC(=O)c1sc2ccccc2c1Cl CC(C)[*:1] O=C(NCCCO[*:1])c1sc2ccccc2c1Cl
Cc1c(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C Clc1ccc(Cl)c(c1)[*:1] Cc1c(N[C@@H](C)C(=O)N[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c(=O)n(n1C)[*:1]
CC[C@@H](C)[C@H](NC(=O)NCc1ccc(C)cc1)C(=O)[O-] CC[C@@H](C)[*:1] Cc1ccc(cc1)CNC(=O)N[C@H](C(=O)[O-])[*:1]
CC[C@@H](C)[C@H](NC(=O)NCc1ccc(C)cc1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@H](NC(=O)NCc1ccc(C)cc1)[*:1]
CC1CCN(C(=O)c2ccc(CN3CCN(C(C)C)C(=O)C3=O)cc2)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)c1ccc(cc1)CN1CCN(C(=O)C1=O)[*:1]
CC1CCN(C(=O)c2ccc(CN3CCN(C(C)C)C(=O)C3=O)cc2)CC1 CC1CCN(CC1)C(=O)[*:1] CC(C)N1CCN(Cc2ccc(cc2)[*:1])C(=O)C1=O
O=C(c1cc2cc(Cl)ccc2o1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1cc2cc(Cl)ccc2o1)N1CCN(CC1)[*:1]
O=C(c1cc2cc(Cl)ccc2o1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc2cc(Cl)ccc2o1)N1CCN(CC1)C[*:1]
Cn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccc(F)c(F)c1F
Cn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccc(F)cc1 Fc1ccc(c(F)c1F)[*:1] Cn1c(nnc1-c1ccc(F)cc1)SCC(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(CC1)C(=O)[*:1]
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 COc1ccc(Cl)cc1[*:1] CN(CC(=O)N[*:1])C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1
Cc1cc(C)nc(-n2nc(C)cc2OC(=O)CCc2ccccc2)n1 Cc1cc(C)nc(n1)[*:1] Cc1cc(OC(=O)CCc2ccccc2)n(n1)[*:1]
Cc1cc(C)nc(-n2nc(C)cc2OC(=O)CCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)nc(n1)-n1nc(C)cc1OC(=O)CC[*:1]
Cc1cc(C)nc(-n2nc(C)cc2OC(=O)CCc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(C)nc(n1)-n1nc(C)cc1OC(=O)C[*:1]
Cc1cc(C)nc(-n2nc(C)cc2OC(=O)CCc2ccccc2)n1 c1ccc(cc1)CC[*:1] Cc1cc(C)nc(n1)-n1nc(C)cc1OC(=O)[*:1]
COc1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)c(C(=O)NC2CC2)c1 O=C(NC1CC1)[*:1] COc1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)c(c1)[*:1]
COc1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)c(C(=O)NC2CC2)c1 C1CC1[*:1] COc1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)c(c1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)c(C(=O)NC2CC2)c1 Fc1ccccc1[*:1] COc1ccc(NC(=O)[C@@H](C)C[*:1])c(c1)C(=O)NC1CC1
COc1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)c(C(=O)NC2CC2)c1 Fc1ccccc1C[*:1] COc1ccc(NC(=O)[C@@H](C)[*:1])c(c1)C(=O)NC1CC1
Cc1nn(CCCc2ccccc2)c(C)c1S(=O)(=O)N1CCCCC1 c1ccc(cc1)CC[*:1] Cc1nn(C[*:1])c(C)c1S(=O)(=O)N1CCCCC1
Cc1nn(CCCc2ccccc2)c(C)c1S(=O)(=O)N1CCCCC1 c1ccc(cc1)[*:1] Cc1nn(CCC[*:1])c(C)c1S(=O)(=O)N1CCCCC1
Cc1nn(CCCc2ccccc2)c(C)c1S(=O)(=O)N1CCCCC1 c1ccc(cc1)C[*:1] Cc1nn(CC[*:1])c(C)c1S(=O)(=O)N1CCCCC1
C[C@H]1CCN(C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)[C@H](c2ccco2)C1 c1coc(c1)[*:1] C[C@H]1CCN(C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)[C@H](C1)[*:1]
CC[C@@H]1CN(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)CCN1CC(F)F FC(F)[*:1] CC[C@@H]1CN(CCN1C[*:1])Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
CC[C@@H]1CN(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)CCN1CC(F)F FC(F)C[*:1] CC[C@@H]1CN(CCN1[*:1])Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
O=C(Cc1csc(-c2cccs2)n1)N[C@@H](CO)c1ccccc1F c1csc(c1)[*:1] O=C(Cc1csc(n1)[*:1])N[C@@H](CO)c1ccccc1F
O=C(Cc1csc(-c2cccs2)n1)N[C@@H](CO)c1ccccc1F Fc1ccccc1[*:1] O=C(Cc1csc(n1)-c1cccs1)N[C@@H](CO)[*:1]
CCN(Cc1c(F)cccc1Cl)C(=O)CCc1c(C)nn(C)c1C Fc1cccc(Cl)c1[*:1] CCN(C[*:1])C(=O)CCc1c(C)nn(C)c1C
CCN(Cc1c(F)cccc1Cl)C(=O)CCc1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CCN(Cc1c(F)cccc1Cl)C(=O)CC[*:1]
Cc1ccc(C)c(OC[C@@H](O)Cn2cnc3cc(F)ccc3c2=O)c1 Cc1ccc(C)c(c1)[*:1] O=c1c2ccc(F)cc2ncn1C[C@H](O)CO[*:1]
Cc1c(C)n(C2CCCCC2)c2ncn3nc(CCCN4C(=O)c5ccccc5C4=O)nc3c12 O=C1c2ccccc2C(=O)N1[*:1] Cc1c(C)n(c2ncn3nc(CCC[*:1])nc3c12)C1CCCCC1
Cc1c(C)n(C2CCCCC2)c2ncn3nc(CCCN4C(=O)c5ccccc5C4=O)nc3c12 C1CCC(CC1)[*:1] Cc1c(C)n(c2ncn3nc(CCCN4C(=O)c5ccccc5C4=O)nc3c12)[*:1]
Cc1cnc(C(C)(C)NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)s1 CC(C)(C)OC(=O)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)c1cccc(c1)[*:1]
Cc1cnc(C(C)(C)NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)s1 CC(C)(C)[*:1] Cc1cnc(s1)C(C)(C)NC(=O)c1cccc(c1)C(=O)O[*:1]
Cc1cnc(C(C)(C)NC(=O)c2cccc(C(=O)OC(C)(C)C)c2)s1 Cc1cnc(s1)[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)NC(C)(C)[*:1]
O=C1CCCN1c1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1F O=C1CCCN1[*:1] O=C(Nc1ccc(c(F)c1)[*:1])N1CCC[C@H]2CCC[C@@H]21
C[C@H](NC(=O)Nc1ccc(SC(F)F)cc1)c1nccs1 FC(F)S[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1nccs1
C[C@H](NC(=O)Nc1ccc(SC(F)F)cc1)c1nccs1 FC(F)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)S[*:1])c1nccs1
C[C@H](NC(=O)Nc1ccc(SC(F)F)cc1)c1nccs1 c1csc(n1)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)SC(F)F)[*:1]
C[C@H](NC(=O)Nc1ccc(SC(F)F)cc1)c1nccs1 C[C@H](c1nccs1)[*:1] O=C(Nc1ccc(cc1)SC(F)F)N[*:1]
Cc1ccc(CC(=O)N(C)[C@@H](C)c2ccccc2Cl)cn1 Clc1ccccc1[*:1] Cc1ccc(cn1)CC(=O)N(C)[C@@H](C)[*:1]
Cc1ccc(CC(=O)N(C)[C@@H](C)c2ccccc2Cl)cn1 Cc1ccc(cn1)[*:1] C[C@@H](c1ccccc1Cl)N(C)C(=O)C[*:1]
NC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(-n2cccc2)c1 NC(=O)[*:1] O=C(Nc1ccc(Cl)cc1[*:1])c1cccc(c1)-n1cccc1
NC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] NC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)[*:1]
CCC[NH2+][C@H]1[C@H](Sc2n[nH]c(=O)n2C)CCCC1(C)C CCC[*:1] Cn1c(n[nH]c1=O)S[C@@H]1CCCC(C)(C)[C@H]1[NH2+][*:1]
Cc1ccccc1-n1ncc(C(=O)OCCNc2cccnn2)c1C Cc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)OCCNc1cccnn1
Cc1ccccc1-n1ncc(C(=O)OCCNc2cccnn2)c1C c1cnnc(c1)NC[*:1] Cc1ccccc1-n1ncc(C(=O)OC[*:1])c1C
Cc1ccccc1-n1ncc(C(=O)OCCNc2cccnn2)c1C c1cnnc(c1)[*:1] Cc1ccccc1-n1ncc(C(=O)OCCN[*:1])c1C
Cc1ccccc1-n1ncc(C(=O)OCCNc2cccnn2)c1C c1cnnc(c1)N[*:1] Cc1ccccc1-n1ncc(C(=O)OCC[*:1])c1C
COc1ccc(-c2ccc(SCc3ccc(F)cc3)nn2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1ccc(nn1)SC[*:1]
COc1cc(F)cc(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 Fc1cccc(c1F)[*:1] COc1cc(F)cc(c1)CNC(=O)[C@H]1C[C@H]1[*:1]
O=C(OCc1nnc(-c2ccccc2)o1)c1cc(Cl)c2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(OCc1nnc(o1)[*:1])c1cc(Cl)c2OCOc2c1
COc1ccccc1/C=N/N=C1\S[C@@H](C)C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccccc1/C=N/N=C1\S[C@@H](C)C(=O)N1[*:1]
COc1ccccc1/C=N/N=C1\S[C@@H](C)C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1/C=N/N=C1\S[C@@H](C)C(=O)N1C[*:1]
COc1ccccc1/C=N/N=C1\S[C@@H](C)C(=O)N1Cc1ccccc1 COc1ccccc1[*:1] C[C@@H]1S/C(=N\N=C[*:1])N(Cc2ccccc2)C1=O
COCCCNC(=O)[C@H]1CCC(=O)N1C1CCCCC1 COCCC[*:1] O=C(N[*:1])[C@H]1CCC(=O)N1C1CCCCC1
COCCCNC(=O)[C@H]1CCC(=O)N1C1CCCCC1 COCC[*:1] O=C(NC[*:1])[C@H]1CCC(=O)N1C1CCCCC1
COCCCNC(=O)[C@H]1CCC(=O)N1C1CCCCC1 COC[*:1] O=C(NCC[*:1])[C@H]1CCC(=O)N1C1CCCCC1
COCCCNC(=O)[C@H]1CCC(=O)N1C1CCCCC1 C1CCC(CC1)[*:1] COCCCNC(=O)[C@H]1CCC(=O)N1[*:1]
COc1ccc(NC(=O)N2CCOCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)N2CCOCC2)c(c1)[*:1]
O=C(Cc1noc2ccccc12)NCC1(c2ccc3c(c2)OCCO3)CCCC1 c1ccc2c(noc2c1)[*:1] O=C(C[*:1])NCC1(CCCC1)c1ccc2OCCOc2c1
C[NH2+]C1CC[NH+](CC2(CC(C)C)CCCC2)CC1 CC(C)[*:1] C[NH2+]C1CC[NH+](CC1)CC1(CCCC1)C[*:1]
C[NH2+]C1CC[NH+](CC2(CC(C)C)CCCC2)CC1 CC(C)C[*:1] C[NH2+]C1CC[NH+](CC1)CC1(CCCC1)[*:1]
CCOC(=O)[C@H](F)[C@H](C)N[C@@H]1COc2ccccc21 CCOC(=O)[*:1] C[C@H](N[C@@H]1COc2ccccc21)[C@@H](F)[*:1]
CCCc1nnc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)s1 CCCc1nnc(s1)[*:1] Cc1cc(C(=O)N[*:1])c(C)n1Cc1cccs1
CCCc1nnc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)s1 c1csc(c1)C[*:1] CCCc1nnc(NC(=O)c2cc(C)n(c2C)[*:1])s1
CCCc1nnc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)s1 c1csc(c1)[*:1] CCCc1nnc(NC(=O)c2cc(C)n(C[*:1])c2C)s1
CCCc1nnc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)s1 CCC[*:1] Cc1cc(C(=O)Nc2nnc(s2)[*:1])c(C)n1Cc1cccs1
CCC[C@@H](NC(=O)NC[C@@H](C)c1ccsc1)c1nnc2ccccn12 c1cc(cs1)[*:1] CCC[C@@H](NC(=O)NC[C@@H](C)[*:1])c1nnc2ccccn12
CCC[C@@H](NC(=O)NC[C@@H](C)c1ccsc1)c1nnc2ccccn12 CCC[*:1] C[C@H](CNC(=O)N[C@@H](c1nnc2ccccn12)[*:1])c1ccsc1
CCC[C@@H](NC(=O)NC[C@@H](C)c1ccsc1)c1nnc2ccccn12 C[C@@H](c1ccsc1)[*:1] CCC[C@@H](NC(=O)NC[*:1])c1nnc2ccccn12
CCC[C@@H](NC(=O)NC[C@@H](C)c1ccsc1)c1nnc2ccccn12 C[C@H](C[*:1])c1ccsc1 CCC[C@@H](NC(=O)N[*:1])c1nnc2ccccn12
N#Cc1ccc(-c2noc(COCC(F)(F)F)n2)nc1 FC(F)(F)[*:1] N#Cc1ccc(nc1)-c1noc(COC[*:1])n1
N#Cc1ccc(-c2noc(COCC(F)(F)F)n2)nc1 FC(F)(F)CO[*:1] N#Cc1ccc(nc1)-c1noc(C[*:1])n1
N#Cc1ccc(-c2noc(COCC(F)(F)F)n2)nc1 FC(F)(F)C[*:1] N#Cc1ccc(nc1)-c1noc(CO[*:1])n1
CCn1c(SCCO[C@H]2CCCC[C@H]2C)nnc1C1CC1 C1CC1[*:1] CCn1c(nnc1[*:1])SCCO[C@H]1CCCC[C@H]1C
C[C@H](O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] C[C@H](O)[C@H](C)[*:1] C[C@@H]([NH3+])c1ccc(F)cc1O[*:1]
C[C@H](O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] C[C@H](O)[*:1] C[C@H](Oc1cc(F)ccc1[C@@H](C)[NH3+])[*:1]
C[C@H](O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] C[C@@H]([NH3+])[*:1] C[C@H](O)[C@H](C)Oc1cc(F)ccc1[*:1]
C[C@H](NC(=O)CCSc1ccccc1Br)C(N)=O C[C@H](C(N)=O)[*:1] O=C(CCSc1ccccc1Br)N[*:1]
C[C@H](NC(=O)CCSc1ccccc1Br)C(N)=O NC(=O)[*:1] C[C@H](NC(=O)CCSc1ccccc1Br)[*:1]
O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 c1csc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
COC(CCCN(C(=O)[O-])C(C)(C)C)OC COC(OC)[*:1] CC(C)(C)N(CCC[*:1])C(=O)[O-]
COC(CCCN(C(=O)[O-])C(C)(C)C)OC CC(C)(C)[*:1] COC(CCCN(C(=O)[O-])[*:1])OC
CCc1ccc([C@H](C)NC(=O)NCc2ccc([S@](C)=O)cc2)cc1 C[S@](=O)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)NCc1ccc(cc1)[*:1]
CCc1ccc([C@H](C)NC(=O)NCc2ccc([S@](C)=O)cc2)cc1 CCc1ccc(cc1)[*:1] C[C@H](NC(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
C/C=C(/C)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 CC=C(C)[*:1] N#Cc1cccc(c1)COc1cccc(c1)NC(=O)[*:1]
C/C=C(/C)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 C/C=C(/C)C(=O)N[*:1] N#Cc1cccc(c1)COc1cccc(c1)[*:1]
CCC[NH2+][C@@H](CCC1CC1)c1ncc(Cl)cc1Cl C1CC1[*:1] CCC[NH2+][C@@H](CC[*:1])c1ncc(Cl)cc1Cl
CCC[NH2+][C@@H](CCC1CC1)c1ncc(Cl)cc1Cl C1CC1C[*:1] CCC[NH2+][C@@H](C[*:1])c1ncc(Cl)cc1Cl
CCC[NH2+][C@@H](CCC1CC1)c1ncc(Cl)cc1Cl C1CC1CC[*:1] CCC[NH2+][C@@H](c1ncc(Cl)cc1Cl)[*:1]
CCC[NH2+][C@@H](CCC1CC1)c1ncc(Cl)cc1Cl CCC[*:1] Clc1cnc(c(Cl)c1)[C@H](CCC1CC1)[NH2+][*:1]
Cc1ocnc1CNC(=O)N1CC[C@@H](CSc2ccccc2)C1 Cc1ocnc1[*:1] O=C(NC[*:1])N1CC[C@@H](CSc2ccccc2)C1
Cc1ocnc1CNC(=O)N1CC[C@@H](CSc2ccccc2)C1 Cc1ocnc1C[*:1] O=C(N[*:1])N1CC[C@@H](CSc2ccccc2)C1
Cc1ocnc1CNC(=O)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)S[*:1] Cc1ocnc1CNC(=O)N1CC[C@H](C1)C[*:1]
Cc1ocnc1CNC(=O)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ocnc1CNC(=O)N1CC[C@@H](CS[*:1])C1
Cc1c(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C c1coc(c1)[*:1] Cc1c(NC(=O)c2cnn3c2N[C@H](C[C@@H]3C(F)(F)F)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C FC(F)(F)[*:1] Cc1c(NC(=O)c2cnn3c2N[C@@H](C[C@H]3[*:1])c2ccco2)c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)c2cnn3c2N[C@@H](C[C@@H]3C(F)(F)F)c2ccco2)c(=O)n(n1C)[*:1]
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc[n+](CCO)c1 OCC[*:1] O=C(N/N=C/c1ccc2OCOc2c1)c1ccc[n+](c1)[*:1]
Cc1cccc(CNC(=O)C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)n1 FC(F)[*:1] Cc1cccc(CNC(=O)C(=O)Nc2ccc3[nH]c(nc3c2)[*:1])n1
Cc1cccc(CNC(=O)C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)n1 Cc1cccc(n1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2[nH]c(nc2c1)C(F)F
Cc1cccc(CNC(=O)C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)n1 Cc1cccc(C[*:1])n1 O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)C(=O)N[*:1]
CN(C[C@@H]1CCCO1)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 C1CO[C@@H](C1)[*:1] CN(C[*:1])C(=O)c1nc(n2ccccc12)S(C)(=O)=O
CN(C[C@@H]1CCCO1)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 CS(=O)(=O)[*:1] CN(C[C@@H]1CCCO1)C(=O)c1nc(n2ccccc12)[*:1]
CN(C[C@@H]1CCCO1)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 C1CO[C@@H](C1)C[*:1] CN(C(=O)c1nc(n2ccccc12)S(C)(=O)=O)[*:1]
C[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1ccccc1C#N FC(F)[*:1] C[C@H](OC(=O)c1ccccc1O[*:1])C(=O)Nc1ccccc1C#N
C[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1ccccc1C#N N#Cc1ccccc1[*:1] C[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)N[*:1]
C[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1ccccc1C#N FC(F)O[*:1] C[C@H](OC(=O)c1ccccc1[*:1])C(=O)Nc1ccccc1C#N
N#Cc1ccc(C(=O)NNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 O=C1CCCN1C[*:1] N#Cc1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)[*:1]
N#Cc1ccc(C(=O)NNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 N#Cc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)CN1CCCC1=O
N#Cc1ccc(C(=O)NNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 O=C1CCCN1[*:1] N#Cc1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)C[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCc1ccccc1F CNC(=O)[*:1] C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CCCC[C@@H]1[*:1]
CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCc1ccccc1F Fc1ccccc1[*:1] CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC[*:1]
Cc1nc(C)c(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)N(CC=C[*:1])c1ccc2OCCOc2c1
Cc1nc(C)c(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)s1 C(=C[*:1])c1ccccc1 Cc1nc(C)c(s1)C(=O)N(C[*:1])c1ccc2OCCOc2c1
Cc1nc(C)c(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)s1 Cc1nc(C)c(s1)[*:1] O=C(N(C/C=C/c1ccccc1)c1ccc2OCCOc2c1)[*:1]
Cc1nc(C)c(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)s1 C(=C/c1ccccc1)\C[*:1] Cc1nc(C)c(s1)C(=O)N(c1ccc2OCCOc2c1)[*:1]
CCOc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c23)cc1 CCOc1ccc(cc1)[*:1] O=C(Cn1cnc2scc(c2c1=O)[*:1])Nc1ccc(Cl)cc1
CCOc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c23)cc1 CCO[*:1] O=C(Cn1cnc2scc(-c3ccc(cc3)[*:1])c2c1=O)Nc1ccc(Cl)cc1
CCOc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c23)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1csc2ncn(CC(=O)N[*:1])c(=O)c12
CCOc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c23)cc1 O=C(Nc1ccc(Cl)cc1)[*:1] CCOc1ccc(cc1)-c1csc2ncn(C[*:1])c(=O)c12
CS[C@H]1CCCC[C@@H]1[NH2+][C@H](C)COCC(C)C CC(C)[*:1] CS[C@H]1CCCC[C@@H]1[NH2+][C@H](C)COC[*:1]
CS[C@H]1CCCC[C@@H]1[NH2+][C@H](C)COCC(C)C CC(C)C[*:1] CS[C@H]1CCCC[C@@H]1[NH2+][C@H](C)CO[*:1]
CS[C@H]1CCCC[C@@H]1[NH2+][C@H](C)COCC(C)C CC(C)CO[*:1] CS[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C[*:1]
C/[NH+]=C(/NCc1ncccc1C)NC1CC[NH+](Cc2ccc(F)cc2)CC1 Cc1cccnc1[*:1] C/[NH+]=C(/NC[*:1])NC1CC[NH+](CC1)Cc1ccc(F)cc1
C/[NH+]=C(/NCc1ncccc1C)NC1CC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C/[NH+]=C(/NCc1ncccc1C)NC1CC[NH+](CC1)C[*:1]
C/[NH+]=C(/NCc1ncccc1C)NC1CC[NH+](Cc2ccc(F)cc2)CC1 Cc1cccnc1C[*:1] C/[NH+]=C(\NC1CC[NH+](CC1)Cc1ccc(F)cc1)N[*:1]
C/[NH+]=C(/NCc1ncccc1C)NC1CC[NH+](Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] C/[NH+]=C(/NCc1ncccc1C)NC1CC[NH+](CC1)[*:1]
CN1C(=O)C[C@@H](NCc2nc3c(s2)CCC3)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NCc2nc3CCCc3s2)[C@H]1[*:1]
CN1C(=O)C[C@@H](NCc2nc3c(s2)CCC3)[C@@H]1c1ccc(F)cc1 C1Cc2nc(sc2C1)[*:1] CN1C(=O)C[C@@H](NC[*:1])[C@@H]1c1ccc(F)cc1
CCN1CCO[C@H](c2noc([C@H]([NH3+])C(C)C)n2)C1 CC(C)[*:1] CCN1CCO[C@@H](C1)c1noc(n1)[C@H]([NH3+])[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)CCc2cccc(Cl)c2)cc1 CNS(=O)(=O)[*:1] O=C(CCc1cccc(Cl)c1)NCc1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)CCc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] CNS(=O)(=O)c1ccc(cc1)CNC(=O)CC[*:1]
CNS(=O)(=O)c1ccc(CNC(=O)CCc2cccc(Cl)c2)cc1 Clc1cccc(c1)C[*:1] CNS(=O)(=O)c1ccc(cc1)CNC(=O)C[*:1]
CC(C)N(CC(=O)N1CCCCCC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)N(CC(=O)N1CCCCCC1)[*:1]
CC(C)N(CC(=O)N1CCCCCC1)c1ccccc1 CC(C)[*:1] O=C(CN(c1ccccc1)[*:1])N1CCCCCC1
Cc1n[nH]c(-c2ccc(NC(=O)CCC(C)C)cc2)n1 CC(C)C[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NC(=O)C[*:1]
Cc1n[nH]c(-c2ccc(NC(=O)CCC(C)C)cc2)n1 Cc1n[nH]c(n1)[*:1] CC(C)CCC(=O)Nc1ccc(cc1)[*:1]
Cc1n[nH]c(-c2ccc(NC(=O)CCC(C)C)cc2)n1 CC(C)CC[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NC(=O)[*:1]
Cc1n[nH]c(-c2ccc(NC(=O)CCC(C)C)cc2)n1 CC(C)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NC(=O)CC[*:1]
COc1ccc(-c2cn3c(CC(=O)NCc4ccc(Cl)cc4)csc3n2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1csc2nc(cn12)[*:1])NCc1ccc(Cl)cc1
COc1ccc(-c2cn3c(CC(=O)NCc4ccc(Cl)cc4)csc3n2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cn2c(csc2n1)CC(=O)NC[*:1]
COc1ccc(-c2cn3c(CC(=O)NCc4ccc(Cl)cc4)csc3n2)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1cn2c(csc2n1)CC(=O)N[*:1]
Cc1cnn(-c2ccccc2OCC(=O)[O-])c1 O=C([O-])CO[*:1] Cc1cnn(c1)-c1ccccc1[*:1]
Cc1cnn(-c2ccccc2OCC(=O)[O-])c1 O=C([O-])C[*:1] Cc1cnn(c1)-c1ccccc1O[*:1]
Cc1cnn(-c2ccccc2OCC(=O)[O-])c1 O=C([O-])[*:1] Cc1cnn(c1)-c1ccccc1OC[*:1]
CC1(C)CC(=O)C=C(NC2=C[C@@H](c3ccccc3)[NH+]=N2)C1 c1ccc(cc1)[*:1] CC1(C)CC(=O)C=C(C1)NC1=C[C@@H]([NH+]=N1)[*:1]
CC(C)[C@H](C)C(=O)Nc1c(/C(N)=N/O)cnn1C N/C(=N\O)[*:1] CC(C)[C@H](C)C(=O)Nc1c(cnn1C)[*:1]
CC(C)[C@H](C)C(=O)Nc1c(/C(N)=N/O)cnn1C CC(C)[*:1] C[C@H](C(=O)Nc1c(cnn1C)/C(N)=N/O)[*:1]
CC(C)[C@H](C)C(=O)Nc1c(/C(N)=N/O)cnn1C CC(C)[C@H](C)[*:1] Cn1ncc(/C(N)=N/O)c1NC(=O)[*:1]
CCOc1ccc(CCC(=O)Nc2cccc(NC(=O)NC)c2)cc1 CCO[*:1] CNC(=O)Nc1cccc(c1)NC(=O)CCc1ccc(cc1)[*:1]
CCOc1ccc(CCC(=O)Nc2cccc(NC(=O)NC)c2)cc1 CNC(=O)N[*:1] CCOc1ccc(cc1)CCC(=O)Nc1cccc(c1)[*:1]
Cc1cnc2c(S(=O)(=O)NCc3cccc(C(N)=O)c3)cccc2c1 NC(=O)[*:1] Cc1cnc2c(cccc2c1)S(=O)(=O)NCc1cccc(c1)[*:1]
O=C(CC[C@H]1CCCO1)NCCNC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(CC[C@H]1CCCO1)NCCNC(=O)[*:1]
O=C(CC[C@H]1CCCO1)NCCNC(=O)c1ccc(Br)cc1 C1CO[C@H](C1)CC[*:1] O=C(NCCNC(=O)[*:1])c1ccc(Br)cc1
O=C(CC[C@H]1CCCO1)NCCNC(=O)c1ccc(Br)cc1 C1CO[C@H](C1)C[*:1] O=C(C[*:1])NCCNC(=O)c1ccc(Br)cc1
O=C(CC[C@H]1CCCO1)NCCNC(=O)c1ccc(Br)cc1 C1CO[C@H](C1)[*:1] O=C(CC[*:1])NCCNC(=O)c1ccc(Br)cc1
COC1=CC=CC(=O)[C@@]1(O)CC(C)=O CC(=O)[*:1] COC1=CC=CC(=O)[C@@]1(O)C[*:1]
COC1=CC=CC(=O)[C@@]1(O)CC(C)=O CC(=O)C[*:1] COC1=CC=CC(=O)[C@]1(O)[*:1]
CCn1c(C(=O)NNC(=O)CSC)cc2ccccc21 CSC[*:1] CCn1c(cc2ccccc21)C(=O)NNC(=O)[*:1]
C#CCN1CCN(C(=O)c2ccc(C)c(S(N)(=O)=O)c2)CC1 C#CC[*:1] Cc1ccc(cc1S(N)(=O)=O)C(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)c2ccc(C)c(S(N)(=O)=O)c2)CC1 NS(=O)(=O)[*:1] C#CCN1CCN(CC1)C(=O)c1ccc(C)c(c1)[*:1]
O=C(c1ccncc1)N1CCN(C(=O)c2cccc3ccccc23)CC1 c1cc(ccn1)[*:1] O=C(c1cccc2ccccc12)N1CCN(CC1)C(=O)[*:1]
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)s1 Cc1ccc(s1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1Cl)[*:1]
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)s1 Clc1ccccc1[*:1] Cc1ccc(s1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CCCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)OC)CC1 COC(=O)[*:1] CCCC(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cc1[*:1]
CCCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)OC)CC1 CCC[*:1] COC(=O)c1cc(Cl)ccc1NC(=O)C1CCN(CC1)C(=O)[*:1]
C=CCNC(=O)NC(=O)CN1CCC[NH+](C)c2ccc(F)cc21 C=CC[*:1] C[NH+]1CCCN(CC(=O)NC(=O)N[*:1])c2cc(F)ccc21
O=C([O-])c1ccc([S@](=O)[C@H]2CCOC3(CCCC3)C2)cc1 O=C([O-])[*:1] O=[S@@](c1ccc(cc1)[*:1])[C@H]1CCOC2(CCCC2)C1
C[C@H](CS)COc1ccc(C(F)(F)F)cc1 C[C@H](CS)C[*:1] FC(F)(F)c1ccc(cc1)O[*:1]
C[C@H](CS)COc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](CS)COc1ccc(cc1)[*:1]
C[C@H](CS)COc1ccc(C(F)(F)F)cc1 C[C@H](CS)[*:1] FC(F)(F)c1ccc(cc1)OC[*:1]
O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=C(COC(=O)c1cc2ccccc2oc1=O)N[*:1]
N#CCC[C@H](NS(=O)(=O)CC1CCC1)c1ccccc1 N#CCC[*:1] O=S(=O)(CC1CCC1)N[C@H](c1ccccc1)[*:1]
N#CCC[C@H](NS(=O)(=O)CC1CCC1)c1ccccc1 N#CC[*:1] O=S(=O)(CC1CCC1)N[C@@H](C[*:1])c1ccccc1
N#CCC[C@H](NS(=O)(=O)CC1CCC1)c1ccccc1 c1ccc(cc1)[*:1] N#CCC[C@H](NS(=O)(=O)CC1CCC1)[*:1]
N#CCC[C@H](NS(=O)(=O)CC1CCC1)c1ccccc1 C1CC(C1)C[*:1] N#CCC[C@H](NS(=O)(=O)[*:1])c1ccccc1
N#CCC[C@H](NS(=O)(=O)CC1CCC1)c1ccccc1 C1CC(C1)[*:1] N#CCC[C@H](NS(=O)(=O)C[*:1])c1ccccc1
O=S(=O)(Oc1ccccc1)c1c(Cl)cccc1Cl c1ccc(cc1)[*:1] O=S(=O)(O[*:1])c1c(Cl)cccc1Cl
Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cccnc3N(C)C)cccc2c1=O c1ccc(cc1)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)Nc1cccnc1N(C)C)[*:1]
Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cccnc3N(C)C)cccc2c1=O CN(C)[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)Nc1cccnc1[*:1])-c1ccccc1
Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cccnc3N(C)C)cccc2c1=O CN(C)c1ncccc1[*:1] Cc1c(oc2c(cccc2c1=O)C(=O)N[*:1])-c1ccccc1
O=C1NC[C@@](c2ccccc2)(C2CC2)O1 C1CC1[*:1] O=C1NC[C@](O1)(c1ccccc1)[*:1]
Cc1cc(=O)c(C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c[nH]1 Clc1ccc(cc1)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)N1CCSC[C@H]1[*:1]
CC(=O)NS(=O)(=O)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 CC(=O)NS(=O)(=O)[*:1] C(=N/c1ccc(cc1)[*:1])\c1c2ccccc2cc2ccccc12
Cn1cnn(-c2ccc(NC[C@H]3C[C@H]3c3ccccc3)cc2)c1=O c1ccc(cc1)[*:1] Cn1cnn(-c2ccc(cc2)NC[C@H]2C[C@@H]2[*:1])c1=O
Cn1cnn(-c2ccc(NC[C@H]3C[C@H]3c3ccccc3)cc2)c1=O Cn1cnn(c1=O)[*:1] c1ccc(cc1)[C@@H]1C[C@@H]1CNc1ccc(cc1)[*:1]
CCc1ccccc1CNC(=O)NC[C@@H](C)C[C@@H](C)O C[C@@H](O)C[*:1] CCc1ccccc1CNC(=O)NC[C@@H](C)[*:1]
CCc1ccccc1CNC(=O)NC[C@@H](C)C[C@@H](C)O C[C@@H](O)[*:1] CCc1ccccc1CNC(=O)NC[C@@H](C)C[*:1]
Cc1nc(C)c(-c2nnc(SCC(=O)c3ccccc3F)o2)s1 Cc1nc(C)c(s1)[*:1] O=C(CSc1nnc(o1)[*:1])c1ccccc1F
Cc1nc(C)c(-c2nnc(SCC(=O)c3ccccc3F)o2)s1 Fc1ccccc1[*:1] Cc1nc(C)c(s1)-c1nnc(o1)SCC(=O)[*:1]
C[C@@H](c1ccccc1)N1CC(c2nc(-c3cccs3)no2)C1 c1ccc(cc1)[*:1] C[C@@H](N1CC(C1)c1nc(no1)-c1cccs1)[*:1]
C[C@@H](c1ccccc1)N1CC(c2nc(-c3cccs3)no2)C1 c1csc(c1)[*:1] C[C@@H](c1ccccc1)N1CC(C1)c1nc(no1)[*:1]
COc1cc(NC(=O)c2nc3n(n2)[C@@H](C(F)F)C[C@H](C)N3)cc([N+](=O)[O-])c1 FC(F)[*:1] COc1cc(cc(c1)[N+](=O)[O-])NC(=O)c1nc2N[C@@H](C)C[C@H](n2n1)[*:1]
COc1cc(NC(=O)c2nc3n(n2)[C@@H](C(F)F)C[C@H](C)N3)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cc(cc(c1)[*:1])NC(=O)c1nc2N[C@@H](C)C[C@H](C(F)F)n2n1
Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCC(C)(C)C CC(C)(C)C[*:1] Cc1cc(C)c(cc1C(=O)NC[*:1])S(N)(=O)=O
Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCC(C)(C)C CC(C)(C)[*:1] Cc1cc(C)c(cc1C(=O)NCC[*:1])S(N)(=O)=O
Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCC(C)(C)C NS(=O)(=O)[*:1] Cc1cc(C)c(cc1C(=O)NCCC(C)(C)C)[*:1]
Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCC(C)(C)C CC(C)(C)CC[*:1] Cc1cc(C)c(cc1C(=O)N[*:1])S(N)(=O)=O
O=C(N[C@H]1C[C@H]1c1ccccc1)N1CC[C@H]([N+]2=CCCC2)C1 c1ccc(cc1)[*:1] O=C(N[C@H]1C[C@@H]1[*:1])N1CC[C@@H](C1)[N+]1=CCCC1
CCN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H](C)CS(C)(=O)=O Fc1cccc(c1)[*:1] CCN(C(=O)N[C@@H]1C[C@H]1[*:1])[C@H](C)CS(C)(=O)=O
CCN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H](C)CS(C)(=O)=O C[C@H](CS(C)(=O)=O)[*:1] CCN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[*:1]
CCN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H](C)C[*:1]
CCN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H](C)[*:1]
CCCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)[N-]S(=O)(=O)[*:1])N1CCC[C@H](C1)c1[nH]cc[nH+]1
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 CC(=O)N(C1CC1)[*:1] CC[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)C[*:1]
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 CC(=O)N(C[*:1])C1CC1 CC[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 C1CC1[*:1] CC[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)CN(C(C)=O)[*:1]
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 CC[C@@H](C)[*:1] CC(=O)N(Cc1ccc(cc1)NC(=O)C(=O)N[*:1])C1CC1
O=C(CN1C[C@@H](Cc2ccccc2)CC1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CN1C[C@H](CC1=O)C[*:1])N1CCN(CC1)c1ccccc1
O=C(CN1C[C@@H](Cc2ccccc2)CC1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CN1C[C@@H](CC1=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(CN1C[C@@H](Cc2ccccc2)CC1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CN1C[C@H](CC1=O)Cc1ccccc1)N1CCN(CC1)[*:1]
COc1cc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N3)cc(OC)c1OC Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)-c1nc2NC3CCCC(=O)C=3[C@H](n2n1)[*:1]
CC[C@H](CC(=O)NCc1ccc([S@](C)=O)cc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](CC(=O)NCc1ccc(cc1)[S@](C)=O)[*:1]
CC[C@H](CC(=O)NCc1ccc([S@](C)=O)cc1)c1ccc(C)cc1 C[S@](=O)[*:1] CC[C@H](CC(=O)NCc1ccc(cc1)[*:1])c1ccc(C)cc1
CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2ccc(O)cc2)C1=O Fc1ccc(cc1)N[*:1] CCOC(=O)C1C(=O)/C(=C/c2ccc(O)cc2)SC=1[*:1]
CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2ccc(O)cc2)C1=O CCOC(=O)[*:1] O=C1C(=C(Nc2ccc(F)cc2)S/C1=C\c1ccc(O)cc1)[*:1]
CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2ccc(O)cc2)C1=O Fc1ccc(cc1)[*:1] CCOC(=O)C1C(=O)/C(=C/c2ccc(O)cc2)SC=1N[*:1]
CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2ccc(O)cc2)C1=O Oc1ccc(cc1)[*:1] CCOC(=O)C1C(=O)C(=C[*:1])SC=1Nc1ccc(F)cc1
Cc1[nH+]c(NCC(C)(C)C[C@H](C)O)ccc1I C[C@H](O)[*:1] Cc1[nH+]c(ccc1I)NCC(C)(C)C[*:1]
Cc1[nH+]c(NCC(C)(C)C[C@H](C)O)ccc1I C[C@H](O)C[*:1] Cc1[nH+]c(ccc1I)NCC(C)(C)[*:1]
C=CCn1c(SCC(=O)NC(=O)NC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CNC(=O)NC(=O)C[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)S[*:1]
C=CCn1c(SCC(=O)NC(=O)NC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CNC(=O)NC(=O)[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)SC[*:1]
C=CCn1c(SCC(=O)NC(=O)NC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 CNC(=O)NC(=O)CS[*:1] C=CCn1c(nc2sc3C[C@H](C)CCc3c2c1=O)[*:1]
C=CCn1c(SCC(=O)NC(=O)NC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 C=CC[*:1] CNC(=O)NC(=O)CSc1nc2sc3C[C@H](C)CCc3c2c(=O)n1[*:1]
CCSC1(CNC(=O)c2csc(COC)n2)CCOCC1 CCS[*:1] COCc1nc(cs1)C(=O)NCC1(CCOCC1)[*:1]
CCSC1(CNC(=O)c2csc(COC)n2)CCOCC1 COC[*:1] CCSC1(CCOCC1)CNC(=O)c1csc(n1)[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 O=C1CN(CCN1)C(=O)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(cc1)[*:1]
C/[NH+]=C(/NC[C@H](C)N1CCOC[C@@H]1C)N[C@@H]1CCOc2ccccc21 C[C@H]1COCCN1[*:1] C/[NH+]=C(/NC[C@H](C)[*:1])N[C@@H]1CCOc2ccccc21
Cc1ccccc1CNC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] Cc1ccccc1CNC(=O)N1CCC(CC1)[C@@H](O)[*:1]
Cc1ccccc1CNC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 Cc1ccccc1[*:1] O=C(NC[*:1])N1CCC(CC1)[C@@H](O)c1ccc(Cl)cc1
Cc1ccccc1CNC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 Cc1ccccc1C[*:1] O=C(N[*:1])N1CCC(CC1)[C@@H](O)c1ccc(Cl)cc1
CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(C)c(NC(C)=O)c1 CC(=O)N[*:1] CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(C)c(c1)[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(C)c(NC(C)=O)c1 CNC(=O)[*:1] CC(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(C)cc1[*:1]
C/C(=C/C(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(=CC(=O)N1CCN(CC1)C[C@H]1CCOC1)[*:1]
C/C(=C/C(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1F C1C[C@@H](CO1)C[*:1] C/C(=C/C(=O)N1CCN(CC1)[*:1])c1ccc(F)cc1F
Cc1noc(C2CC[NH+](Cc3cnc(-c4cccnc4)s3)CC2)n1 c1cncc(c1)[*:1] Cc1noc(n1)C1CC[NH+](CC1)Cc1cnc(s1)[*:1]
Cc1noc(C2CC[NH+](Cc3cnc(-c4cccnc4)s3)CC2)n1 Cc1noc(n1)[*:1] c1cncc(c1)-c1ncc(C[NH+]2CCC(CC2)[*:1])s1
COCCNC(=O)NCCC1CCCCC1 COC[*:1] O=C(NCCC1CCCCC1)NC[*:1]
COCCNC(=O)NCCC1CCCCC1 COCC[*:1] O=C(NCCC1CCCCC1)N[*:1]
Cc1cc(C)n(CC(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)n1 O=C([O-])[*:1] Cc1cc(C)n(CC(=O)N[C@H]2C=C[C@@H](C2)[*:1])n1
Cc1cccc(OCCCC(=O)Nc2ccc(I)cc2)c1 Cc1cccc(c1)[*:1] O=C(CCCO[*:1])Nc1ccc(I)cc1
Cc1cccc(OCCCC(=O)Nc2ccc(I)cc2)c1 Ic1ccc(cc1)[*:1] Cc1cccc(c1)OCCCC(=O)N[*:1]
COc1cccc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)n1 c1cncc(c1)[*:1] COc1cccc(n1)-c1nc(no1)-c1ccc(cc1)OC[*:1]
COc1cccc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)n1 c1cncc(c1)CO[*:1] COc1cccc(n1)-c1nc(no1)-c1ccc(cc1)[*:1]
COc1cccc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)n1 COc1cccc(n1)[*:1] c1cncc(c1)COc1ccc(cc1)-c1noc(n1)[*:1]
COc1cccc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)n1 c1cncc(c1)C[*:1] COc1cccc(n1)-c1nc(no1)-c1ccc(cc1)O[*:1]
Cc1ccc2sc(NC(=O)c3ccccc3Cl)nc2c1C Clc1ccccc1[*:1] Cc1ccc2sc(nc2c1C)NC(=O)[*:1]
Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)o2)c1 O=S(=O)(N1CCCC1)[*:1] Cc1cccc(c1)-c1nnc(o1)SCC(=O)Nc1cccc(c1)[*:1]
Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)o2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1cccc(c1)S(=O)(=O)N1CCCC1
CCc1nn(C)cc1CNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O CCc1nn(C)cc1[*:1] CC1CCC2(CC1)NC(=O)N(CC(=O)NC[*:1])C2=O
COc1cc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc(OC)c1OC Clc1ccc(nn1)[*:1] COc1cc(cc(OC)c1OC)NC(=O)C1CCN(CC1)[*:1]
COc1cccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)[C@H]1CC(=O)Nc2c(csc21)[*:1]
COc1cccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)c1 COc1cccc(c1)[*:1] O=C1C[C@@H](c2scc(-c3cccc(F)c3)c2N1)[*:1]
Cc1noc([C@H](C)OC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)n1 Cc1noc(n1)[C@H](C)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)O[*:1]
Cc1noc([C@H](C)OC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)n1 Cc1noc(n1)[*:1] Cc1c(oc2CC(C)(C)CC(=O)c21)C(=O)O[C@@H](C)[*:1]
O=c1nc([C@H]2CCCC[NH2+]2)[nH]c([O-])c1-c1cccc(F)c1 Fc1cccc(c1)[*:1] O=c1nc([nH]c([O-])c1[*:1])[C@H]1CCCC[NH2+]1
Cc1ccc(N2C[C@H](C(=O)NCCn3cc[nH+]c3)CC2=O)c(F)c1 Cc1ccc(c(F)c1)[*:1] O=C(NCCn1cc[nH+]c1)[C@@H]1CC(=O)N(C1)[*:1]
CCC[C@H]1CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CCO1 CCC[*:1] CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@H](C1)[*:1]
CCOC(=O)c1nc(CC)oc1NC(=O)/C=C/c1cncc(F)c1 Fc1cncc(c1)[*:1] CCOC(=O)c1nc(CC)oc1NC(=O)C=C[*:1]
CCOC(=O)c1nc(CC)oc1NC(=O)/C=C/c1cncc(F)c1 CCOC(=O)[*:1] CCc1nc(c(NC(=O)/C=C/c2cncc(F)c2)o1)[*:1]
O=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(CC1)[*:1]
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 FC(F)(F)[*:1] Cc1nc2nc(nn2c(C)c1CCC(=O)NNC(=O)c1ccc(cc1)C(C)(C)C)[*:1]
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)c1ccc(cc1)[*:1] Cc1nc2nc(nn2c(C)c1CCC(=O)NNC(=O)[*:1])C(F)(F)F
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1nc2nc(nn2c(C)c1CCC(=O)NNC(=O)c1ccc(cc1)[*:1])C(F)(F)F
O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1CCN(C(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] O=C(OCc1cc(Cl)c2OCCOc2c1)C1CCN(CC1)C(=O)[*:1]
COc1ccc(OC)c([C@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3nc(N)nn32)c1 COc1ccc(cc1OC)[*:1] COc1ccc(OC)c(c1)[C@H]1C2C(=O)C[C@@H](CC=2Nc2nc(N)nn21)[*:1]
COc1ccc(OC)c([C@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3nc(N)nn32)c1 COc1ccc(OC)c(c1)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1nc(N)nn1[C@H]2[*:1]
CCN1CCc2nc(NC(=O)c3sc(-c4ccc(C)o4)nc3C)sc2C1 Cc1ccc(o1)[*:1] CCN1CCc2nc(NC(=O)c3sc(nc3C)[*:1])sc2C1
COC(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C1CC1 FC(F)(F)[*:1] COC(=O)C[C@@H](NC(=O)c1ccc(cc1)[*:1])C1CC1
COC(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C1CC1 COC(=O)[*:1] O=C(N[C@H](C[*:1])C1CC1)c1ccc(cc1)C(F)(F)F
COC(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C1CC1 COC(=O)C[*:1] O=C(N[C@@H](C1CC1)[*:1])c1ccc(cc1)C(F)(F)F
COC(=O)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C1CC1 C1CC1[*:1] COC(=O)C[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)[*:1]
COc1ccc(NC(=O)Cn2nc(C)n3c(cc4ccsc43)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1nn(CC(=O)N[*:1])c(=O)c2cc3ccsc3n12
CCc1cc(SCC(=O)N2CCCC[C@H]2C)n2c(nc3ccccc32)c1C#N C[C@@H]1CCCCN1C(=O)[*:1] CCc1cc(SC[*:1])n2c(nc3ccccc32)c1C#N
CCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[nH]1 CCOC(=O)[*:1] C[C@H](Sc1nc(cc(=O)[nH]1)-c1ccccc1)[*:1]
CCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[nH]1 c1ccc(cc1)[*:1] CCOC(=O)[C@H](C)Sc1nc(cc(=O)[nH]1)[*:1]
CCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[nH]1 CCOC(=O)[C@H](C)[*:1] O=c1cc(nc([nH]1)S[*:1])-c1ccccc1
CCC(C)(C)C1CCC(NC(=O)c2cccnc2SCc2c(C)noc2C)CC1 Cc1noc(C)c1C[*:1] CCC(C)(C)C1CCC(CC1)NC(=O)c1cccnc1S[*:1]
CCC(C)(C)C1CCC(NC(=O)c2cccnc2SCc2c(C)noc2C)CC1 CCC(C)(C)[*:1] Cc1noc(C)c1CSc1ncccc1C(=O)NC1CCC(CC1)[*:1]
CCC(C)(C)C1CCC(NC(=O)c2cccnc2SCc2c(C)noc2C)CC1 Cc1noc(C)c1[*:1] CCC(C)(C)C1CCC(CC1)NC(=O)c1cccnc1SC[*:1]
CCC(C)(C)C1CCC(NC(=O)c2cccnc2SCc2c(C)noc2C)CC1 Cc1noc(C)c1CS[*:1] CCC(C)(C)C1CCC(CC1)NC(=O)c1cccnc1[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC[C@@H]2COc3ccccc3O2)C1 CC(C)(C)[*:1] O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(C1)C(=O)O[*:1]
CC[C@H](C)NC(=O)[C@@H](C)Sc1nc(C)cs1 CC[C@H](C)[*:1] Cc1csc(n1)S[C@H](C)C(=O)N[*:1]
CC1=NN(c2ccc(C(=O)N3CC[C@H](OCCC(C)C)C3)cc2)CC1 CC(C)CCO[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N1CC[C@H](C1)[*:1]
CC1=NN(c2ccc(C(=O)N3CC[C@H](OCCC(C)C)C3)cc2)CC1 CC(C)CC[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N1CC[C@@H](C1)O[*:1]
CC1=NN(c2ccc(C(=O)N3CC[C@H](OCCC(C)C)C3)cc2)CC1 CC(C)C[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N1CC[C@@H](C1)OC[*:1]
CC1=NN(c2ccc(C(=O)N3CC[C@H](OCCC(C)C)C3)cc2)CC1 CC(C)[*:1] CC1CCN(N=1)c1ccc(cc1)C(=O)N1CC[C@@H](C1)OCC[*:1]
CCOc1ccc2c(C(=O)N(C)Cc3ccc(OC)c(OC)c3)cc(=O)oc2c1 CCO[*:1] COc1ccc(cc1OC)CN(C)C(=O)c1cc(=O)oc2cc(ccc12)[*:1]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccco4)[C@@H]3c3ccco3)ccc2O1 C[C@@H]1Cc2cc(ccc2O1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccco2)N1Cc1ccco1
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccco4)[C@@H]3c3ccco3)ccc2O1 c1coc(c1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccco1
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccco4)[C@@H]3c3ccco3)ccc2O1 c1coc(c1)[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1[*:1]
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccco4)[C@@H]3c3ccco3)ccc2O1 c1coc(c1)C[*:1] C[C@@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccco1)[*:1]
Cc1ccc(F)cc1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ccc(F)cc1NC(=O)[C@@H](C)NC(=O)O[*:1]
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 CNS(=O)(=O)[*:1] C[C@H](NC(=O)N1CCC[C@@H](C1)[NH+]1CCCC1)c1cccc(c1)[*:1]
O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1C(=O)c1ccccc1 O=c1ccnc([nH]1)S[*:1] O=C(C[*:1])Nc1ccccc1C(=O)c1ccccc1
O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1[*:1]
O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1C(=O)c1ccccc1 O=c1ccnc([nH]1)[*:1] O=C(CS[*:1])Nc1ccccc1C(=O)c1ccccc1
O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1C(=O)[*:1]
Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 Cc1ccccc1[*:1] C[C@H](C(=O)N[*:1])[NH+]1CCN(CC1)S(=O)(=O)c1cc2OCC(=O)Nc2cc1Cl
Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 Cc1ccccc1NC(=O)[*:1] C[C@@H]([NH+]1CCN(CC1)S(=O)(=O)c1cc2OCC(=O)Nc2cc1Cl)[*:1]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCc2[nH]ncc2C1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)N[C@H]1CCc2[nH]ncc2C1)[*:1]
COCCN1COc2ccc3c(=O)c(Oc4cccc(OC)c4)c(C(F)(F)F)oc3c2C1 FC(F)(F)[*:1] COCCN1COc2ccc3c(=O)c(Oc4cccc(c4)OC)c(oc3c2C1)[*:1]
COCCN1COc2ccc3c(=O)c(Oc4cccc(OC)c4)c(C(F)(F)F)oc3c2C1 COCC[*:1] COc1cccc(c1)Oc1c(oc2c3CN(COc3ccc2c1=O)[*:1])C(F)(F)F
COCCN1COc2ccc3c(=O)c(Oc4cccc(OC)c4)c(C(F)(F)F)oc3c2C1 COc1cccc(c1)[*:1] COCCN1COc2ccc3c(=O)c(O[*:1])c(oc3c2C1)C(F)(F)F
COCCN1COc2ccc3c(=O)c(Oc4cccc(OC)c4)c(C(F)(F)F)oc3c2C1 COC[*:1] COc1cccc(c1)Oc1c(oc2c3CN(COc3ccc2c1=O)C[*:1])C(F)(F)F
COCCN1COc2ccc3c(=O)c(Oc4cccc(OC)c4)c(C(F)(F)F)oc3c2C1 COc1cccc(c1)O[*:1] COCCN1COc2ccc3c(=O)c(c(oc3c2C1)C(F)(F)F)[*:1]
CC(C)(C)[C@@H]1CCc2sc(C(=O)NCc3nnc4ccccn34)cc2C1 CC(C)(C)[*:1] O=C(NCc1nnc2ccccn12)c1cc2C[C@@H](CCc2s1)[*:1]
CCc1n[n-]c([S@@](=O)Cc2c(C)cc(C)c(C(C)=O)c2C)n1 CC(=O)[*:1] CCc1n[n-]c(n1)[S@@](=O)Cc1c(C)cc(C)c(c1C)[*:1]
C[C@@H](Oc1cccc(F)c1)C(=O)O[C@H](c1ccccc1)c1nccs1 Fc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)O[C@H](c1ccccc1)c1nccs1
C[C@@H](Oc1cccc(F)c1)C(=O)O[C@H](c1ccccc1)c1nccs1 c1csc(n1)[*:1] C[C@@H](Oc1cccc(F)c1)C(=O)O[C@H](c1ccccc1)[*:1]
C[C@@H](Oc1cccc(F)c1)C(=O)O[C@H](c1ccccc1)c1nccs1 Fc1cccc(c1)O[*:1] C[C@@H](C(=O)O[C@H](c1ccccc1)c1nccs1)[*:1]
C[C@@H](Oc1cccc(F)c1)C(=O)O[C@H](c1ccccc1)c1nccs1 c1ccc(cc1)[*:1] C[C@@H](Oc1cccc(F)c1)C(=O)O[C@H](c1nccs1)[*:1]
CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 CC(=O)N[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1
CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[NH+](C(C)C)CC1 CC(C)[*:1] CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[NH+](CC1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[NH+](C(C)C)CC1 c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)N1CCC[NH+](CC1)C(C)C)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[NH+](C(C)C)CC1 c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)N1CCC[NH+](CC1)C(C)C
CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[NH+](C(C)C)CC1 c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)N1CCC[NH+](CC1)C(C)C)C[*:1]
Cc1ccc(C(=O)NCC2CCN(C(=O)c3snnc3C)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nnsc1C(=O)N1CCC(CC1)CNC(=O)[*:1]
Cc1ccc(C(=O)NCC2CCN(C(=O)c3snnc3C)CC2)c(C)c1 Cc1nnsc1[*:1] Cc1ccc(C(=O)NCC2CCN(CC2)C(=O)[*:1])c(C)c1
O=C(CC[C@H]1CCCO1)N1CCN(CCO)CC1 OCC[*:1] O=C(CC[C@H]1CCCO1)N1CCN(CC1)[*:1]
O=C(CC[C@H]1CCCO1)N1CCN(CCO)CC1 C1CO[C@H](C1)[*:1] O=C(CC[*:1])N1CCN(CCO)CC1
O=C(CC[C@H]1CCCO1)N1CCN(CCO)CC1 C1CO[C@H](C1)C[*:1] O=C(C[*:1])N1CCN(CCO)CC1
CS(=O)(=O)NCc1ccccc1-n1ccnc1 c1cn(cn1)[*:1] CS(=O)(=O)NCc1ccccc1[*:1]
CS(=O)(=O)NCc1ccccc1-n1ccnc1 CS(=O)(=O)N[*:1] c1ccc(c(c1)C[*:1])-n1ccnc1
CSc1cccc(NCc2cccc(OCc3ccccn3)c2)c1 c1ccc(nc1)[*:1] CSc1cccc(c1)NCc1cccc(c1)OC[*:1]
CSc1cccc(NCc2cccc(OCc3ccccn3)c2)c1 CSc1cccc(c1)[*:1] c1ccc(COc2cccc(c2)CN[*:1])nc1
CSc1cccc(NCc2cccc(OCc3ccccn3)c2)c1 c1ccc(CO[*:1])nc1 CSc1cccc(c1)NCc1cccc(c1)[*:1]
CSc1cccc(NCc2cccc(OCc3ccccn3)c2)c1 c1ccc(C[*:1])nc1 CSc1cccc(c1)NCc1cccc(c1)O[*:1]
CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1Br CCO[*:1] CCc1cccc(C)c1NC(=O)c1ccc(c(Br)c1)[*:1]
CC(C)CNC(=O)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1 CC(C)[*:1] O=C(NCC1CCN(CC1)c1nc2ccccc2s1)C(=O)NC[*:1]
CC(C)CNC(=O)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1 CC(C)C[*:1] O=C(NCC1CCN(CC1)c1nc2ccccc2s1)C(=O)N[*:1]
Cc1nc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cs1 Cc1nc(cs1)CC[*:1] O=C(N[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc2CCCCc2c1
Cc1nc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cs1 Cc1nc(cs1)[*:1] O=C(NCC[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc2CCCCc2c1
Cc1nc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cs1 Cc1nc(cs1)C[*:1] O=C(NC[*:1])[C@H]1CCCN1S(=O)(=O)c1ccc2CCCCc2c1
CC(=O)Nc1cc(S(=O)(=O)N(C)[C@H](C)c2ccco2)ccc1F CC(=O)N[*:1] C[C@H](c1ccco1)N(C)S(=O)(=O)c1ccc(F)c(c1)[*:1]
CC(=O)Nc1cc(S(=O)(=O)N(C)[C@H](C)c2ccco2)ccc1F c1coc(c1)[*:1] CC(=O)Nc1cc(ccc1F)S(=O)(=O)N(C)[C@H](C)[*:1]
O=C1C(=O)N(CN2CCOCC2)c2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C1C(=O)N(CN2CCOCC2)c2ccc(cc21)[*:1]
O=C1C(=O)N(CN2CCOCC2)c2ccc([N+](=O)[O-])cc21 C1CN(CCO1)C[*:1] O=C1C(=O)N(c2ccc(cc21)[N+](=O)[O-])[*:1]
O=C1C(=O)N(CN2CCOCC2)c2ccc([N+](=O)[O-])cc21 C1CN(CCO1)[*:1] O=C1C(=O)N(C[*:1])c2ccc(cc21)[N+](=O)[O-]
CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 COc1ccc(cc1)[*:1] CCOC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 CCOC(=O)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)c1nc(CNC(=O)Cc2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CC(C)(C)c1nc(CNC(=O)C[*:1])no1
CC(C)(C)c1nc(CNC(=O)Cc2ccc(Cl)cc2)no1 CC(C)(C)[*:1] O=C(Cc1ccc(Cl)cc1)NCc1noc(n1)[*:1]
O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1ccc(cc1)-c1ccccc1)N1CCC(CC1)[*:1]
O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2cccs2)CC1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)c1cccs1
CC[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)C(C)C CC(C)[*:1] CC[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)[*:1]
CC(C)n1ncc2cc(NC(=O)NCc3ccccc3Cl)cnc21 CC(C)[*:1] O=C(NCc1ccccc1Cl)Nc1cnc2c(cnn2[*:1])c1
CC(C)n1ncc2cc(NC(=O)NCc3ccccc3Cl)cnc21 Clc1ccccc1[*:1] CC(C)n1ncc2cc(cnc21)NC(=O)NC[*:1]
CC(C)n1ncc2cc(NC(=O)NCc3ccccc3Cl)cnc21 Clc1ccccc1C[*:1] CC(C)n1ncc2cc(cnc21)NC(=O)N[*:1]
C[C@@H](OC(=O)c1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1 O=C1NCCN1[*:1] C[C@@H](OC(=O)c1ccc(cc1)[*:1])c1ccc(Cl)cc1
C[C@@H](OC(=O)c1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](OC(=O)c1ccc(cc1)N1CCNC1=O)[*:1]
CC(C)c1nn(-c2ccccc2)c(N)c1Br CC(C)[*:1] Nc1c(Br)c(nn1-c1ccccc1)[*:1]
COc1ccsc1CN1CCN(C(=O)Cc2ccccc2C)CC1 Cc1ccccc1C[*:1] COc1ccsc1CN1CCN(CC1)C(=O)[*:1]
COc1ccsc1CN1CCN(C(=O)Cc2ccccc2C)CC1 COc1ccsc1[*:1] Cc1ccccc1CC(=O)N1CCN(CC1)C[*:1]
COc1ccsc1CN1CCN(C(=O)Cc2ccccc2C)CC1 COc1ccsc1C[*:1] Cc1ccccc1CC(=O)N1CCN(CC1)[*:1]
COc1ccsc1CN1CCN(C(=O)Cc2ccccc2C)CC1 Cc1ccccc1[*:1] COc1ccsc1CN1CCN(CC1)C(=O)C[*:1]
CC(=O)Nc1ccc(NC(=O)C(=O)N(C)Cc2cc(C)on2)c(Cl)c1 Cc1cc(no1)[*:1] CC(=O)Nc1ccc(NC(=O)C(=O)N(C)C[*:1])c(Cl)c1
CC(=O)Nc1ccc(NC(=O)C(=O)N(C)Cc2cc(C)on2)c(Cl)c1 CC(=O)N[*:1] Cc1cc(CN(C)C(=O)C(=O)Nc2ccc(cc2Cl)[*:1])no1
CC(=O)Nc1ccc(NC(=O)C(=O)N(C)Cc2cc(C)on2)c(Cl)c1 Cc1cc(C[*:1])no1 CC(=O)Nc1ccc(NC(=O)C(=O)N(C)[*:1])c(Cl)c1
COc1cc(C)cc(CNC2CC[NH+](Cc3ccccn3)CC2)c1 c1ccc(nc1)[*:1] COc1cc(C)cc(c1)CNC1CC[NH+](CC1)C[*:1]
COc1cc(C)cc(CNC2CC[NH+](Cc3ccccn3)CC2)c1 c1ccc(C[*:1])nc1 COc1cc(C)cc(c1)CNC1CC[NH+](CC1)[*:1]
CCc1cccc(C)c1NC(=O)NCc1cccc(CS(=O)(=O)NC)c1 CNS(=O)(=O)C[*:1] CCc1cccc(C)c1NC(=O)NCc1cccc(c1)[*:1]
CCc1cccc(C)c1NC(=O)NCc1cccc(CS(=O)(=O)NC)c1 CNS(=O)(=O)[*:1] CCc1cccc(C)c1NC(=O)NCc1cccc(c1)C[*:1]
CC(C)(CNC(=O)C(=O)Nc1ccccc1Cn1cncn1)c1ccncc1 c1ncn(n1)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccccc1C[*:1])c1ccncc1
CC(C)(CNC(=O)C(=O)Nc1ccccc1Cn1cncn1)c1ccncc1 c1ncn(C[*:1])n1 CC(C)(CNC(=O)C(=O)Nc1ccccc1[*:1])c1ccncc1
CC(C)(CNC(=O)C(=O)Nc1ccccc1Cn1cncn1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)C(=O)Nc1ccccc1Cn1cncn1)[*:1]
CC(C)(CNC(=O)C(=O)Nc1ccccc1Cn1cncn1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NC[*:1])C(=O)Nc1ccccc1Cn1cncn1
C[C@@H](CNC(=O)c1cc(-c2ccco2)on1)N1C[C@@H](C)O[C@H](C)C1 c1coc(c1)[*:1] C[C@@H](CNC(=O)c1cc(on1)[*:1])N1C[C@@H](C)O[C@H](C)C1
COC(=O)[C@H](C)NC(=O)c1cc(C)nc2cc(F)ccc12 COC(=O)[*:1] Cc1cc(C(=O)N[C@@H](C)[*:1])c2ccc(F)cc2n1
COC(=O)[C@H](C)NC(=O)c1cc(C)nc2cc(F)ccc12 COC(=O)[C@H](C)[*:1] Cc1cc(C(=O)N[*:1])c2ccc(F)cc2n1
CCC(=O)N1CCC([NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)CC1 Clc1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)[NH2+][C@@H]([C@@H]1C[C@@H]1C)[*:1]
[NH3+][C@H](C1CC1)[C@H]1CCOC2(CCSCC2)C1 C1CC1[*:1] [NH3+][C@H]([C@H]1CCOC2(CCSCC2)C1)[*:1]
[NH3+][C@H](C1CC1)[C@H]1CCOC2(CCSCC2)C1 [NH3+][C@H](C1CC1)[*:1] C1C[C@@H](CC2(CCSCC2)O1)[*:1]
C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](O1)[*:1])C(=O)c1ccc2C(=O)NC(=O)c2c1
O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 O=S(=O)(N[*:1])c1ccc(Cl)cc1 O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc(cc1)[*:1]
O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 O=c1[nH]c2ccccc2cc1[*:1] O=C(NN=C[*:1])c1ccc(cc1)NS(=O)(=O)c1ccc(Cl)cc1
O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1ccccc1CN1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)N[*:1] Cc1ccccc1CN1CCN(CC1)C(=O)CC[*:1]
Cc1ccccc1CN1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1 Cc1ccccc1C[*:1] CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)[*:1]
Cc1ccccc1CN1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1 Cc1ccccc1[*:1] CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)C[*:1]
Cc1ccccc1CN1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1ccccc1CN1CCN(CC1)C(=O)CCNC(=O)O[*:1]
O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)NC(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC(=O)O[*:1]
O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)NC(=O)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC(=O)OC[*:1]
O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)NC(=O)OCc1ccccc1 Clc1ccc(cc1Cl)[*:1] O=C(CN1CCN(CC1)S(=O)(=O)[*:1])NC(=O)OCc1ccccc1
COc1ccc(CCN2C(=S)N[C@H]3c4cc([N+](=O)[O-])ccc4O[C@]2(C)[C@H]3C)cc1OC COc1ccc(cc1OC)[*:1] C[C@H]1[C@H]2NC(=S)N(CC[*:1])[C@]1(C)Oc1ccc(cc12)[N+](=O)[O-]
COc1ccc(CCN2C(=S)N[C@H]3c4cc([N+](=O)[O-])ccc4O[C@]2(C)[C@H]3C)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)CCN1C(=S)N[C@H]2c3cc(ccc3O[C@]1(C)[C@H]2C)[*:1]
CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] CCO[*:1] C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])[C@H](C)[NH2+]C[C@H]1CCCS1(=O)=O
COC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 COC(=O)[*:1] [NH3+][C@@H](Cc1ccc(O)cc1)[*:1]
CCn1nnnc1-c1cccc(C(=O)NCc2ccc(F)cc2)c1 CCn1nnnc1[*:1] O=C(NCc1ccc(F)cc1)c1cccc(c1)[*:1]
CCn1nnnc1-c1cccc(C(=O)NCc2ccc(F)cc2)c1 Fc1ccc(cc1)C[*:1] CCn1nnnc1-c1cccc(c1)C(=O)N[*:1]
CCn1nnnc1-c1cccc(C(=O)NCc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CCn1nnnc1-c1cccc(c1)C(=O)NC[*:1]
CCOc1ccc2oc(C(=O)N3CCC(C(=O)OC)CC3)c(C)c2c1 COC(=O)[*:1] CCOc1ccc2oc(C(=O)N3CCC(CC3)[*:1])c(C)c2c1
CCOc1ccc2oc(C(=O)N3CCC(C(=O)OC)CC3)c(C)c2c1 CCO[*:1] COC(=O)C1CCN(CC1)C(=O)c1oc2ccc(cc2c1C)[*:1]
O=C([C@@H]1COc2ccc(F)cc2C1)N1CC[C@@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N1CC[C@@H](C1)[*:1]
Cc1cc(C[NH2+]Cc2cnn(C)c2)cc(C)c1F Cn1cc(cn1)[*:1] Cc1cc(cc(C)c1F)C[NH2+]C[*:1]
CC(C)c1nc([C@H](C)N[C@@H](C)c2cncc(F)c2)cs1 CC(C)[*:1] C[C@H](N[C@@H](C)c1csc(n1)[*:1])c1cncc(F)c1
O=C(/C=C/c1cccc(F)c1)NNC(=O)NC[C@H]1CCCO1 Fc1cccc(c1)[*:1] O=C(C=C[*:1])NNC(=O)NC[C@H]1CCCO1
O=C(/C=C/c1cccc(F)c1)NNC(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(/C=C/c1cccc(F)c1)NNC(=O)NC[*:1]
O=C(/C=C/c1cccc(F)c1)NNC(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(/C=C/c1cccc(F)c1)NNC(=O)N[*:1]
CCOc1ccc(N2C(=O)[C@@H](C)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 CCO[*:1] C[C@H]1S/C(=C(\C#N)C(=O)N[C@H](C)c2ccccc2)N(C1=O)c1ccc(cc1)[*:1]
CCOc1ccc(N2C(=O)[C@@H](C)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 CCOc1ccc(cc1)[*:1] C[C@H]1S/C(=C(\C#N)C(=O)N[C@H](C)c2ccccc2)N(C1=O)[*:1]
CCOc1ccc(N2C(=O)[C@@H](C)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)N1C(=O)[C@@H](C)S/C1=C(\C#N)C(=O)N[C@H](C)[*:1]
CCOc1ccc(N2C(=O)[C@@H](C)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 C[C@H](c1ccccc1)[*:1] CCOc1ccc(cc1)N1C(=O)[C@@H](C)S/C1=C(\C#N)C(=O)N[*:1]
COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)Nc2ccc(OC)c(Cl)c2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@H]1CCCc2sc(nc21)NC(=O)[*:1]
COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)Nc2ccc(OC)c(Cl)c2)cc1 COc1ccc(cc1Cl)[*:1] COc1ccc(cc1)C(=O)Nc1nc2c(CCC[C@@H]2C(=O)N[*:1])s1
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cn4cncn4)cc3)CC2)cc1 CC(=O)[*:1] O=C(c1ccc(cc1)Cn1cncn1)N1CCN(CC1)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cn4cncn4)cc3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(c1ccc(cc1)Cn1cncn1)N1CCN(CC1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cn4cncn4)cc3)CC2)cc1 c1ncn(C[*:1])n1 CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cn4cncn4)cc3)CC2)cc1 c1ncn(n1)[*:1] CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)C[*:1]
Cc1cc(C)c2nc(C)cc(C(=O)N3CC(Oc4cccnc4)C3)c2c1 c1cncc(c1)O[*:1] Cc1cc(C)c2nc(C)cc(C(=O)N3CC(C3)[*:1])c2c1
Cc1cc(C)c2nc(C)cc(C(=O)N3CC(Oc4cccnc4)C3)c2c1 c1cncc(c1)[*:1] Cc1cc(C)c2nc(C)cc(C(=O)N3CC(C3)O[*:1])c2c1
CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)CC1 CC(C)(C)[*:1] N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C1CCC(CC1)[*:1]
C[C@H]1CCC[C@H](C(=O)NCc2ccnc(OCC(F)F)c2)C1 FC(F)[*:1] C[C@H]1CCC[C@@H](C1)C(=O)NCc1ccnc(c1)OC[*:1]
C[C@H]1CCC[C@H](C(=O)NCc2ccnc(OCC(F)F)c2)C1 FC(F)CO[*:1] C[C@H]1CCC[C@@H](C1)C(=O)NCc1ccnc(c1)[*:1]
C[C@H]1CCC[C@H](C(=O)NCc2ccnc(OCC(F)F)c2)C1 FC(F)C[*:1] C[C@H]1CCC[C@@H](C1)C(=O)NCc1ccnc(c1)O[*:1]
CCc1ccccc1NC(=O)[C@@H](C)SCc1cccc(C(N)=O)c1 CCc1ccccc1[*:1] C[C@@H](SCc1cccc(c1)C(N)=O)C(=O)N[*:1]
CCc1ccccc1NC(=O)[C@@H](C)SCc1cccc(C(N)=O)c1 NC(=O)[*:1] CCc1ccccc1NC(=O)[C@@H](C)SCc1cccc(c1)[*:1]
Cc1nc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)nn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nc(nn1[*:1])C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C
Cc1nc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)nn1-c1ccc(Cl)cc1 Fc1cccc(c1)[*:1] Cc1nc(nn1-c1ccc(Cl)cc1)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CCC[NH2+][C@H]1CC[C@H](n2cc[nH+]c2-c2ccccc2)C1 c1ccc(cc1)[*:1] CCC[NH2+][C@H]1CC[C@@H](C1)n1cc[nH+]c1[*:1]
CCC[NH2+][C@H]1CC[C@H](n2cc[nH+]c2-c2ccccc2)C1 CCC[*:1] c1ccc(cc1)-c1[nH+]ccn1[C@H]1CC[C@@H](C1)[NH2+][*:1]
C[C@@H](C(=O)NCc1cccnc1)N1C(=O)CCCc2ccccc21 c1cncc(c1)[*:1] C[C@@H](C(=O)NC[*:1])N1C(=O)CCCc2ccccc21
C[C@@H](C(=O)NCc1cccnc1)N1C(=O)CCCc2ccccc21 c1cncc(c1)C[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)CCCc2ccccc21
Cc1noc(C2CCN(C(=O)c3snnc3C)CC2)n1 Cc1nnsc1[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)[*:1]
Cc1noc(C2CCN(C(=O)c3snnc3C)CC2)n1 Cc1noc(n1)[*:1] Cc1nnsc1C(=O)N1CCC(CC1)[*:1]
C[C@@H]1CCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C[C@@H]1O CN(C)C(=O)N[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1ccc(cc1Cl)[*:1]
Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccnc(OC3CCC3)c2)s1 C1CC(C1)[*:1] Cc1nc(C)c(s1)[C@H](C)N(C)C(=O)NCc1ccnc(c1)O[*:1]
Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccnc(OC3CCC3)c2)s1 Cc1nc(C)c(s1)[*:1] C[C@H](N(C)C(=O)NCc1ccnc(c1)OC1CCC1)[*:1]
Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccnc(OC3CCC3)c2)s1 C1CC(C1)O[*:1] Cc1nc(C)c(s1)[C@H](C)N(C)C(=O)NCc1ccnc(c1)[*:1]
Cc1ccccc1C[NH+](C)Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 Cc1ccccc1[*:1] C[NH+](Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)C[*:1]
Cc1ccccc1C[NH+](C)Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 Cc1ccccc1C[*:1] C[NH+](Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)[*:1]
Cc1ccccc1C[NH+](C)Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 Clc1ccccc1[*:1] Cc1ccccc1C[NH+](C)Cc1nc2scc(c2c(=O)[nH]1)[*:1]
O=C(Nc1ccc(O)c(C(F)(F)F)c1)c1cnc([C@H]2CCCO2)s1 FC(F)(F)[*:1] O=C(Nc1ccc(O)c(c1)[*:1])c1cnc(s1)[C@H]1CCCO1
CC(=O)N1CCCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC(=O)N1CCCN(CC1)C(=O)N[C@@H](C)[*:1]
Cc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)C(=O)Nc1nc2c(CCC[C@H]2C(=O)NC[*:1])s1
Cc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)NC[C@@H]2CCCO2)cc1 O=C(NC[C@@H]1CCCO1)[*:1] Cc1ccc(cc1)C(=O)Nc1nc2c(CCC[C@@H]2[*:1])s1
Cc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)NC[C@@H]2CCCO2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCCO1)[C@@H]1CCCc2sc(nc21)NC(=O)[*:1]
Cc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)C(=O)Nc1nc2c(CCC[C@H]2C(=O)N[*:1])s1
CN(C)c1cc(Br)ccc1C=O CN(C)[*:1] O=Cc1ccc(Br)cc1[*:1]
O=C(COc1ccc2ccccc2c1)N1CCC(C2OCCO2)CC1 C1COC(O1)[*:1] O=C(COc1ccc2ccccc2c1)N1CCC(CC1)[*:1]
CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)cc1[N+](=O)[O-] CCO[*:1] C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])[C@H](C)[NH2+]C[C@@]1(O)CCOC1
COc1cccc(-c2ccc(=O)n(CC(=O)NCCn3ccc4ccc(F)cc43)n2)c1 Fc1ccc2ccn(c2c1)[*:1] COc1cccc(c1)-c1ccc(=O)n(CC(=O)NCC[*:1])n1
COc1cccc(-c2ccc(=O)n(CC(=O)NCCn3ccc4ccc(F)cc43)n2)c1 COc1cccc(c1)[*:1] O=C(Cn1nc(ccc1=O)[*:1])NCCn1ccc2ccc(F)cc21
CNC(=O)CC1CCN(C(=O)NCc2nc(C)c(C)s2)CC1 CNC(=O)[*:1] Cc1nc(CNC(=O)N2CCC(CC2)C[*:1])sc1C
CNC(=O)CC1CCN(C(=O)NCc2nc(C)c(C)s2)CC1 Cc1nc(sc1C)[*:1] CNC(=O)CC1CCN(CC1)C(=O)NC[*:1]
CNC(=O)CC1CCN(C(=O)NCc2nc(C)c(C)s2)CC1 CNC(=O)C[*:1] Cc1nc(CNC(=O)N2CCC(CC2)[*:1])sc1C
Cc1nnc(-c2cccc(C(=O)N(C)[C@H](C)c3ccncc3)c2)o1 Cc1nnc(o1)[*:1] C[C@H](c1ccncc1)N(C)C(=O)c1cccc(c1)[*:1]
Cc1nnc(-c2cccc(C(=O)N(C)[C@H](C)c3ccncc3)c2)o1 c1cc(ccn1)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)N(C)[C@H](C)[*:1]
Cc1nnc(-c2cccc(C(=O)N(C)[C@H](C)c3ccncc3)c2)o1 C[C@H](c1ccncc1)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)N(C)[*:1]
C[C@@H]1CCCCN1C(=O)NCCNC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)NCCNC(=O)[*:1]
Cc1nccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 Cc1nccn1[*:1] C[C@H](NC(=O)N[C@H](C)c1ccc(cc1)[*:1])[C@@H]1CCCO1
Cc1nccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] Cc1nccn1-c1ccc(cc1)[C@@H](C)NC(=O)N[C@@H](C)[*:1]
CSC[C@H]1CCN(S(=O)(=O)c2c(C)sc3ccccc23)C1 CSC[*:1] Cc1sc2ccccc2c1S(=O)(=O)N1CC[C@@H](C1)[*:1]
COC(=O)[C@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@@H]1C COC(=O)[*:1] CC(=O)N1CCC(CC1)C(=O)N1C[C@H](C)[C@H](C1)[*:1]
CCCc1ccc(OC)c([C@H](N)C[NH3+])c1 CCC[*:1] COc1ccc(cc1[C@H](N)C[NH3+])[*:1]
O=C(C[NH+]1CCCC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 Clc1ccccc1[*:1] O=C(C[NH+]1CCCC1)N1N=C(C[C@H]1c1ccc(Cl)cc1)[*:1]
O=C(C[NH+]1CCCC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C[NH+]1CCCC1)N1N=C(C[C@@H]1[*:1])c1ccccc1Cl
O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCC[C@H](O)C1 c1ccc(cc1)[*:1] O=C(c1ccccc1-c1nc(no1)[*:1])N1CCC[C@H](O)C1
Cc1[nH]nc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)c1C Cc1[nH]nc(c1C)[*:1] O=S(=O)(NCc1cccs1)c1ccc(s1)[*:1]
Cc1[nH]nc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)c1C c1csc(c1)[*:1] Cc1[nH]nc(-c2ccc(s2)S(=O)(=O)NC[*:1])c1C
Cc1[nH]nc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)c1C c1csc(c1)C[*:1] Cc1[nH]nc(-c2ccc(s2)S(=O)(=O)N[*:1])c1C
Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 CC(C)c1csc(n1)[*:1] Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@H](C#N)[*:1]
Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 CC(C)[*:1] Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(cs1)[*:1]
Cc1cc(Cl)ccc1O[C@H](C)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 Cc1cc(Cl)ccc1[*:1] CC(C)c1csc(n1)[C@@H](C#N)C(=O)[C@@H](C)O[*:1]
Cc1cccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2ccco2)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)[N-]c1ccccc1C1C[C@@H](N(N=1)C(=O)c1ccco1)[*:1]
Cc1cccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2ccco2)c1 c1coc(c1)[*:1] Cc1cccc(c1)[C@H]1CC(=NN1C(=O)[*:1])c1ccccc1[N-]S(C)(=O)=O
CN(C)S(=O)(=O)Nc1ccc(-n2nnc(C(=O)[O-])c2N)cc1 O=C([O-])[*:1] CN(C)S(=O)(=O)Nc1ccc(cc1)-n1nnc(c1N)[*:1]
CN(C)S(=O)(=O)Nc1ccc(-n2nnc(C(=O)[O-])c2N)cc1 CN(C)S(=O)(=O)N[*:1] Nc1c(nnn1-c1ccc(cc1)[*:1])C(=O)[O-]
Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C Cc1ccc(cc1C)[*:1] O=C(NCCO[*:1])c1cccc2ccccc12
O=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1=O)C(=O)Nc1ccc(Br)cc1)NC[*:1]
O=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CN1CCN(CC1=O)C(=O)Nc1ccc(Br)cc1)N[*:1]
O=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)NCc1ccc(F)cc1 Brc1ccc(cc1)[*:1] O=C(CN1CCN(CC1=O)C(=O)N[*:1])NCc1ccc(F)cc1
C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1[*:1]
C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 c1ccc2cc(ccc2c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccccc1C(=O)N1CCCCCC1
CN(C)C(=O)N1CCN(C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1 CC(C)(C)[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)c1cc2C[C@H](CCc2s1)[*:1]
O=C(NCc1cccc(F)c1)c1ccc(-c2ccccc2)[nH]c1=O Fc1cccc(c1)C[*:1] O=C(N[*:1])c1ccc([nH]c1=O)-c1ccccc1
O=C(NCc1cccc(F)c1)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] O=C(NCc1cccc(F)c1)c1ccc([nH]c1=O)[*:1]
O=C(NCc1cccc(F)c1)c1ccc(-c2ccccc2)[nH]c1=O Fc1cccc(c1)[*:1] O=C(NC[*:1])c1ccc([nH]c1=O)-c1ccccc1
CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)[C@H](C)[*:1]
CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)[C@H](C)O[*:1]
COC(=O)c1cccc(C#Cc2cccc(NC(=O)NCCn3cc[nH+]c3)c2)c1 COC(=O)[*:1] O=C(NCCn1cc[nH+]c1)Nc1cccc(C#Cc2cccc(c2)[*:1])c1
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Cn1nnnc1C(C)C CC(C)[*:1] CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Cn1nnnc1[*:1]
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Cn1nnnc1C(C)C CC(C)[*:1] CC(C)c1nnnn1CC(=O)N[C@H]1CCC[C@H]1CC[*:1]
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Cn1nnnc1C(C)C CC(C)CC[*:1] CC(C)c1nnnn1CC(=O)N[C@H]1CCC[C@H]1[*:1]
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Cn1nnnc1C(C)C CC(C)C[*:1] CC(C)c1nnnn1CC(=O)N[C@H]1CCC[C@H]1C[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(C)s1 CCNC(=O)[*:1] Cc1ccc(s1)C(=O)Nc1cc(Cl)ccc1[*:1]
CCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(C)s1 Cc1ccc(s1)[*:1] CCNC(=O)c1ccc(Cl)cc1NC(=O)[*:1]
COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4ccc(C)c(C)c4)c(=O)[nH]c3C2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)c1cc2C(=O)C[C@H](Cc2[nH]c1=O)[*:1]
COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4ccc(C)c(C)c4)c(=O)[nH]c3C2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)c2cc(C(=O)N[*:1])c(=O)[nH]c2C1
CCOc1c(F)cccc1C(=O)NCc1cc(C#N)ccc1F CCO[*:1] N#Cc1ccc(F)c(c1)CNC(=O)c1cccc(F)c1[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 N#Cc1ccccc1[*:1] COc1ccc(c(c1)C(=O)Nc1ccc(cc1)O[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)Nc1ccc(cc1)Oc1ccccc1C#N)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 N#Cc1ccccc1O[*:1] COc1ccc(c(c1)C(=O)Nc1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1n[nH]cc1CNC(=O)NC[C@H](CC(C)C)C(=O)[O-] Cc1n[nH]cc1[*:1] CC(C)C[C@@H](CNC(=O)NC[*:1])C(=O)[O-]
Cc1n[nH]cc1CNC(=O)NC[C@H](CC(C)C)C(=O)[O-] CC(C)[*:1] Cc1n[nH]cc1CNC(=O)NC[C@H](C[*:1])C(=O)[O-]
Cc1n[nH]cc1CNC(=O)NC[C@H](CC(C)C)C(=O)[O-] O=C([O-])[*:1] Cc1n[nH]cc1CNC(=O)NC[C@H](CC(C)C)[*:1]
Cc1n[nH]cc1CNC(=O)NC[C@H](CC(C)C)C(=O)[O-] CC(C)C[*:1] Cc1n[nH]cc1CNC(=O)NC[C@H](C(=O)[O-])[*:1]
O[C@H](c1cccc(C2CC2)c1)c1occc1Br C1CC1[*:1] O[C@H](c1cccc(c1)[*:1])c1occc1Br
CC[C@@H]1CN(Cc2nc(C(C)(C)C)cs2)C(C)(C)C[NH2+]1 CC(C)(C)[*:1] CC[C@@H]1CN(Cc2nc(cs2)[*:1])C(C)(C)C[NH2+]1
Cc1nnnn1-c1cc(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)ccc1F c1ccc2oc(cc2c1)[*:1] Cc1nnnn1-c1cc(ccc1F)NC(=O)N(C)[C@H](C)[*:1]
Cc1nnnn1-c1cc(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)ccc1F Cc1nnnn1[*:1] C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc(F)c(c1)[*:1]
COc1ccc(CC(=O)NCc2cc3n(n2)CCC[NH+](CC(C)C)C3)cc1 COc1ccc(cc1)[*:1] CC(C)C[NH+]1CCCn2nc(cc2C1)CNC(=O)C[*:1]
COc1ccc(CC(=O)NCc2cc3n(n2)CCC[NH+](CC(C)C)C3)cc1 COc1ccc(cc1)C[*:1] CC(C)C[NH+]1CCCn2nc(cc2C1)CNC(=O)[*:1]
COc1ccc(CC(=O)NCc2cc3n(n2)CCC[NH+](CC(C)C)C3)cc1 CC(C)[*:1] COc1ccc(cc1)CC(=O)NCc1cc2C[NH+](CCCn2n1)C[*:1]
COc1ccc(CC(=O)NCc2cc3n(n2)CCC[NH+](CC(C)C)C3)cc1 CC(C)C[*:1] COc1ccc(cc1)CC(=O)NCc1cc2C[NH+](CCCn2n1)[*:1]
C[NH+](C)CC(=O)Nc1cccc(CNC(=O)Nc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] C[NH+](C)CC(=O)Nc1cccc(c1)CNC(=O)N[*:1]
COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3ccccc3)CN(C(=O)c3ccc(F)cc3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NCC[*:1])[C@@H]1C[C@@H](CN(C1)C(=O)c1ccc(F)cc1)c1ccccc1
COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3ccccc3)CN(C(=O)c3ccc(F)cc3)C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)CCNC(=O)[C@@H]1C[C@H](CN(C1)C(=O)c1ccc(F)cc1)[*:1]
COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3ccccc3)CN(C(=O)c3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CCNC(=O)[C@@H]1C[C@@H](CN(C1)C(=O)[*:1])c1ccccc1
COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3ccccc3)CN(C(=O)c3ccc(F)cc3)C2)cc1 COc1ccc(cc1)CC[*:1] O=C(N[*:1])[C@@H]1C[C@@H](CN(C1)C(=O)c1ccc(F)cc1)c1ccccc1
COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3ccccc3)CN(C(=O)c3ccc(F)cc3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(NC[*:1])[C@@H]1C[C@@H](CN(C1)C(=O)c1ccc(F)cc1)c1ccccc1
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)Nc1ccccc1O2 CC(C)(C)[*:1] O=C1CC2(CCN(CC2)C(=O)O[*:1])Oc2ccccc2N1
CNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)Cn2cccn2)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)NC[C@@H](C)Cn1cccn1)[*:1]
CNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)Cn2cccn2)c(C)o1 c1cnn(c1)[*:1] CNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)C[*:1])c(C)o1
CNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)Cn2cccn2)c(C)o1 c1cnn(c1)C[*:1] CNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)[*:1])c(C)o1
C[C@H](OC(=O)C1CCN(C(=O)C2CC2)CC1)c1c(F)cccc1Cl C1CC1[*:1] C[C@H](OC(=O)C1CCN(CC1)C(=O)[*:1])c1c(F)cccc1Cl
C[C@H](OC(=O)C1CCN(C(=O)C2CC2)CC1)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] C[C@H](OC(=O)C1CCN(CC1)C(=O)C1CC1)[*:1]
Cc1ccc(OCCN2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 Cc1ccc(cc1)OCC[*:1] O=C(c1cc2cc(ccc2oc1=O)[N+](=O)[O-])N1CCN(CC1)[*:1]
Cc1ccc(OCCN2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)OCCN1CCN(CC1)C(=O)c1cc2cc(ccc2oc1=O)[*:1]
Cc1ccc(OCCN2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc2cc(ccc2oc1=O)[N+](=O)[O-])N1CCN(CCO[*:1])CC1
Cc1ccc(OCCN2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 Cc1ccc(cc1)OC[*:1] O=C(c1cc2cc(ccc2oc1=O)[N+](=O)[O-])N1CCN(CC1)C[*:1]
Cc1ccc(OCCN2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 Cc1ccc(cc1)O[*:1] O=C(c1cc2cc(ccc2oc1=O)[N+](=O)[O-])N1CCN(CC1)CC[*:1]
Fc1ccc(F)c(CNC2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] Fc1ccc(F)c(c1)CNC1CC[NH+](CC1)[*:1]
Fc1ccc(F)c(CNC2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Fc1ccc(F)c(c1)CNC1CC[NH+](CC1)C[*:1]
Cc1ncc(CNC(=O)N(CC(=O)[O-])C(C)(C)C)s1 O=C([O-])C[*:1] Cc1ncc(CNC(=O)N(C(C)(C)C)[*:1])s1
Cc1ncc(CNC(=O)N(CC(=O)[O-])C(C)(C)C)s1 Cc1ncc(s1)[*:1] CC(C)(C)N(CC(=O)[O-])C(=O)NC[*:1]
Cc1ncc(CNC(=O)N(CC(=O)[O-])C(C)(C)C)s1 O=C([O-])[*:1] Cc1ncc(CNC(=O)N(C[*:1])C(C)(C)C)s1
Cc1ncc(CNC(=O)N(CC(=O)[O-])C(C)(C)C)s1 CC(C)(C)[*:1] Cc1ncc(CNC(=O)N(CC(=O)[O-])[*:1])s1
CCN1C(=O)[C@@](C)(C(=O)NCCCn2cnc3ccccc32)Sc2ccccc21 c1ccc2c(c1)ncn2[*:1] CCN1C(=O)[C@](C)(Sc2ccccc21)C(=O)NCCC[*:1]
CC1(C)CN(C(=O)C(=O)Nc2ccccc2CC(F)(F)F)CCS1 FC(F)(F)C[*:1] CC1(C)CN(CCS1)C(=O)C(=O)Nc1ccccc1[*:1]
CC1(C)CN(C(=O)C(=O)Nc2ccccc2CC(F)(F)F)CCS1 FC(F)(F)[*:1] CC1(C)CN(CCS1)C(=O)C(=O)Nc1ccccc1C[*:1]
O=C(NCc1cccc(CN2CCCC2=O)c1)Nc1ccccn1 O=C1CCCN1C[*:1] O=C(NCc1cccc(c1)[*:1])Nc1ccccn1
O=C(NCc1cccc(CN2CCCC2=O)c1)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(NCc1cccc(c1)CN1CCCC1=O)N[*:1]
O=C(NCc1cccc(CN2CCCC2=O)c1)Nc1ccccn1 O=C1CCCN1[*:1] O=C(NCc1cccc(c1)C[*:1])Nc1ccccn1
Cc1nc(NC(=O)c2ccccc2)sc1Cc1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] Cc1nc(NC(=O)[*:1])sc1Cc1ccc(cc1)[N+](=O)[O-]
Cc1nc(NC(=O)c2ccccc2)sc1Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] Cc1nc(NC(=O)c2ccccc2)sc1Cc1ccc(cc1)[*:1]
O=C1CC[C@@]2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CN1Cc1cccnc1 c1cncc(c1)[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)c2c[nH]c(=O)cn2)CN1C[*:1]
O=C1CC[C@@]2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CN1Cc1cccnc1 O=c1cnc(c[nH]1)[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)[*:1])CN1Cc1cccnc1
O=C1CC[C@@]2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CN1Cc1cccnc1 c1cncc(c1)C[*:1] O=C(c1c[nH]c(=O)cn1)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
COCCn1nc(C)c(NC(=O)CCc2cccc(F)c2F)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)CCc1cccc(F)c1F
COCCn1nc(C)c(NC(=O)CCc2cccc(F)c2F)c1C Fc1cccc(c1F)[*:1] COCCn1nc(C)c(NC(=O)CC[*:1])c1C
COCCn1nc(C)c(NC(=O)CCc2cccc(F)c2F)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)CCc1cccc(F)c1F)[*:1]
Cc1cccc(Cn2c(CCc3c(C)n[nH]c3C)n[nH]c2=O)c1 Cc1cccc(c1)[*:1] Cc1n[nH]c(C)c1CCc1n[nH]c(=O)n1C[*:1]
Cc1cccc(Cn2c(CCc3c(C)n[nH]c3C)n[nH]c2=O)c1 Cc1n[nH]c(C)c1[*:1] Cc1cccc(c1)Cn1c(CC[*:1])n[nH]c1=O
C[NH2+][C@@H](CSC1CCCC1)[C@@H]1CCc2cccnc21 C1CCC(C1)[*:1] C[NH2+][C@@H](CS[*:1])[C@@H]1CCc2cccnc21
C[NH2+][C@@H](CSC1CCCC1)[C@@H]1CCc2cccnc21 C1CCC(C1)S[*:1] C[NH2+][C@@H](C[*:1])[C@@H]1CCc2cccnc21
Cc1ccc(-c2nc(COC(=O)c3cc(Br)c[nH]3)no2)cc1 Brc1c[nH]c(c1)[*:1] Cc1ccc(cc1)-c1nc(COC(=O)[*:1])no1
Cc1ccc(-c2nc(COC(=O)c3cc(Br)c[nH]3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(OCc1noc(n1)[*:1])c1cc(Br)c[nH]1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(Cl)cc2)n1 Clc1ccc(cc1)C[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)[*:1])-c1cccs1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(Cl)cc2)n1 CC(C)c1cc(=O)[nH]c(n1)[*:1] O=C(Cc1ccc(Cl)cc1)Nc1cc(nn1[*:1])-c1cccs1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(Cl)cc2)n1 CC(C)[*:1] O=C(Cc1ccc(Cl)cc1)Nc1cc(nn1-c1nc(cc(=O)[nH]1)[*:1])-c1cccs1
CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(Cl)cc2)n1 c1csc(c1)[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)Cc1ccc(Cl)cc1)[*:1]
CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] CC(C)c1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)C[*:1])-c1cccs1
CCCCC[C@@H]([NH2+]C)C(C)(C)[NH+]1CCCC1 CCCC[*:1] C[NH2+][C@H](C[*:1])C(C)(C)[NH+]1CCCC1
CCCCC[C@@H]([NH2+]C)C(C)(C)[NH+]1CCCC1 CCCCC[*:1] C[NH2+][C@@H](C(C)(C)[NH+]1CCCC1)[*:1]
CCCCC[C@@H]([NH2+]C)C(C)(C)[NH+]1CCCC1 CCC[*:1] C[NH2+][C@H](CC[*:1])C(C)(C)[NH+]1CCCC1
COC[C@@H]([NH2+]CCc1c(C)cccc1C)C1CC1 COC[*:1] Cc1cccc(C)c1CC[NH2+][C@@H](C1CC1)[*:1]
COC[C@@H]([NH2+]CCc1c(C)cccc1C)C1CC1 C1CC1[*:1] COC[C@@H]([NH2+]CCc1c(C)cccc1C)[*:1]
CCc1noc(CC)c1CNC(=O)N[C@](C)(CC)c1ccccc1 c1ccc(cc1)[*:1] CCc1noc(CC)c1CNC(=O)N[C@](C)(CC)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)C1 CC(C)(C)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)C(=O)Nc1cnn(c1)[*:1]
CO[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 c1ccc(cc1)[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(c1)O[*:1]
CO[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 c1ccc(cc1)O[*:1] CO[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
CC(C)C[C@H](NC(=O)C1CC1)c1cccs1 CC(C)C[*:1] O=C(N[C@H](c1cccs1)[*:1])C1CC1
CC(C)C[C@H](NC(=O)C1CC1)c1cccs1 CC(C)[*:1] O=C(N[C@@H](C[*:1])c1cccs1)C1CC1
CC(C)C[C@H](NC(=O)C1CC1)c1cccs1 c1csc(c1)[*:1] CC(C)C[C@H](NC(=O)C1CC1)[*:1]
CC(C)C[C@H](NC(=O)C1CC1)c1cccs1 C1CC1[*:1] CC(C)C[C@H](NC(=O)[*:1])c1cccs1
CNC(=O)[C@H](C)CN(C)C(=O)c1ccnc(SC)c1 CNC(=O)[C@H](C)[*:1] CSc1cc(ccn1)C(=O)N(C)C[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1ccnc(SC)c1 CNC(=O)[*:1] CSc1cc(ccn1)C(=O)N(C)C[C@@H](C)[*:1]
CNc1ncccc1C(=O)N(Cc1ccc(SC)cc1)C1CC1 C1CC1[*:1] CNc1ncccc1C(=O)N(Cc1ccc(cc1)SC)[*:1]
CCCN(CC(F)F)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCCN(CC(F)F)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1[*:1]
CCCN(CC(F)F)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 FC(F)[*:1] CCCN(C[*:1])C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1
CCCN(CC(F)F)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 CCC[*:1] CN1C(=O)C[C@@H](NC(=O)N(CC(F)F)[*:1])[C@@H]1c1ccc(Cl)cc1
CCCN(CC(F)F)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 FC(F)C[*:1] CCCN(C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)[*:1]
CCn1nc(C)c(C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)c1Cl CN(C)C(=O)[*:1] CCn1nc(C)c(C(=O)Nc2ccc(C)c(c2)[*:1])c1Cl
COc1ccc(Br)c(C(=O)N2CCN(CCO)CC2)c1 OCC[*:1] COc1ccc(Br)c(c1)C(=O)N1CCN(CC1)[*:1]
Cn1c(=O)c(N2CCC[C@@H](C(=O)NCCSCc3ccco3)C2)nc2cccnc21 c1coc(c1)[*:1] Cn1c(=O)c(nc2cccnc21)N1CCC[C@H](C1)C(=O)NCCSC[*:1]
Cn1c(=O)c(N2CCC[C@@H](C(=O)NCCSCc3ccco3)C2)nc2cccnc21 c1coc(c1)CSC[*:1] Cn1c(=O)c(nc2cccnc21)N1CCC[C@H](C1)C(=O)NC[*:1]
Cn1c(=O)c(N2CCC[C@@H](C(=O)NCCSCc3ccco3)C2)nc2cccnc21 c1coc(c1)CSCC[*:1] Cn1c(=O)c(nc2cccnc21)N1CCC[C@H](C1)C(=O)N[*:1]
Cn1c(=O)c(N2CCC[C@@H](C(=O)NCCSCc3ccco3)C2)nc2cccnc21 c1coc(c1)C[*:1] Cn1c(=O)c(nc2cccnc21)N1CCC[C@H](C1)C(=O)NCCS[*:1]
Cn1c(=O)c(N2CCC[C@@H](C(=O)NCCSCc3ccco3)C2)nc2cccnc21 c1coc(c1)CS[*:1] Cn1c(=O)c(nc2cccnc21)N1CCC[C@H](C1)C(=O)NCC[*:1]
CC(C)c1nn(C)cc1CN(C)Cc1ccc([N+](=O)[O-])c(O)c1 O=[N+]([O-])[*:1] CC(C)c1nn(C)cc1CN(C)Cc1ccc(c(O)c1)[*:1]
CC(C)c1nn(C)cc1CN(C)Cc1ccc([N+](=O)[O-])c(O)c1 CC(C)[*:1] CN(Cc1ccc(c(O)c1)[N+](=O)[O-])Cc1cn(C)nc1[*:1]
COc1c(C)cnc(CNC(=O)C(=O)Nc2cccc(F)c2C)c1C Cc1c(F)cccc1[*:1] COc1c(C)cnc(CNC(=O)C(=O)N[*:1])c1C
Nc1ccc(F)c(C(=O)NCc2ccccn2)c1F c1ccc(nc1)[*:1] Nc1ccc(F)c(C(=O)NC[*:1])c1F
O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccs1)c1c([nH]n(-c3ccccc3)c1=O)N2 c1ccc(cc1)[*:1] O=C1C[C@@H](CC2Nc3[nH]n(c(=O)c3[C@H](C=21)c1cccs1)[*:1])c1ccco1
O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccs1)c1c([nH]n(-c3ccccc3)c1=O)N2 c1coc(c1)[*:1] O=C1C[C@H](CC2Nc3[nH]n(-c4ccccc4)c(=O)c3[C@H](C=21)c1cccs1)[*:1]
O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccs1)c1c([nH]n(-c3ccccc3)c1=O)N2 c1csc(c1)[*:1] O=C1C[C@@H](CC2Nc3[nH]n(-c4ccccc4)c(=O)c3[C@@H](C=21)[*:1])c1ccco1
C[C@@H]1CCN(C(=O)c2ccc(-n3ccnn3)cc2)c2ccccc21 c1cn(nn1)[*:1] C[C@@H]1CCN(C(=O)c2ccc(cc2)[*:1])c2ccccc21
CC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] CC(C)[C@H](NC(=O)[C@H]1CCCN(C1)C(=O)c1cccs1)[*:1]
CC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 c1csc(c1)[*:1] CC(C)[C@H](NC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1ccc2OCCOc2c1
CC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 CC(C)[*:1] O=C(N[C@H](c1ccc2OCCOc2c1)[*:1])[C@H]1CCCN(C1)C(=O)c1cccs1
Cc1cc(Cl)ccc1OC(=O)C1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] Cc1cc(Cl)ccc1OC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1cc(Cl)ccc1OC(=O)C1CCN(C(=O)c2ccco2)CC1 Cc1cc(Cl)ccc1[*:1] O=C(O[*:1])C1CCN(CC1)C(=O)c1ccco1
CSc1ccc([C@H](C)N[C@@H](c2cccc(C)c2)c2ccccn2)cc1 CSc1ccc(cc1)[*:1] Cc1cccc(c1)[C@H](N[C@@H](C)[*:1])c1ccccn1
CSc1ccc([C@H](C)N[C@@H](c2cccc(C)c2)c2ccccn2)cc1 c1ccc(nc1)[*:1] CSc1ccc(cc1)[C@H](C)N[C@@H](c1cccc(C)c1)[*:1]
CSc1ccc([C@H](C)N[C@@H](c2cccc(C)c2)c2ccccn2)cc1 Cc1cccc(c1)[*:1] CSc1ccc(cc1)[C@H](C)N[C@@H](c1ccccn1)[*:1]
CCCCS(=O)(=O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 C1CCN(C1)[*:1] CCCCS(=O)(=O)N1CCN(CC1)c1cc(ncn1)[*:1]
CCCCS(=O)(=O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 CCCC[*:1] O=S(=O)(N1CCN(CC1)c1cc(ncn1)N1CCCC1)[*:1]
CCCCS(=O)(=O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 CCC[*:1] O=S(=O)(C[*:1])N1CCN(CC1)c1cc(ncn1)N1CCCC1
O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(F)c1 c1cncc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCN(CC1)c1ccccc1)[*:1])C(=O)Nc1cccc(F)c1
O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(F)c1 c1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(CC1)[*:1])C(=O)Nc1cccc(F)c1
O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(CC1)c1ccccc1)C(=O)N[*:1]
CCOC(=O)CN(C)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 CCOC(=O)C[*:1] CN(C(=O)/C=C/c1ccc(cc1)N1CCCC1=O)[*:1]
CCOC(=O)CN(C)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] CCOC(=O)CN(C)C(=O)/C=C/c1ccc(cc1)[*:1]
CCOC(=O)CN(C)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 CCOC(=O)[*:1] CN(C[*:1])C(=O)/C=C/c1ccc(cc1)N1CCCC1=O
CN(CC(=O)N1CCCC1)Cc1[nH+]ccn1Cc1ccccc1 O=C(N1CCCC1)[*:1] CN(Cc1[nH+]ccn1Cc1ccccc1)C[*:1]
CN(CC(=O)N1CCCC1)Cc1[nH+]ccn1Cc1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)N1CCCC1)Cc1[nH+]ccn1C[*:1]
CN(CC(=O)N1CCCC1)Cc1[nH+]ccn1Cc1ccccc1 c1ccc(cc1)C[*:1] CN(CC(=O)N1CCCC1)Cc1[nH+]ccn1[*:1]
CCCCOc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)ccc1Cl CCC[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)c(c1)OC[*:1]
CCCCOc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)ccc1Cl CCCC[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)c(c1)O[*:1]
CCCCOc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)ccc1Cl CCCCO[*:1] C[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
C[C@H](NC(=O)Cc1c(F)cccc1F)c1ccc(-n2cncn2)cc1 Fc1cccc(F)c1[*:1] C[C@H](NC(=O)C[*:1])c1ccc(cc1)-n1cncn1
C[C@H](NC(=O)Cc1c(F)cccc1F)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)Cc1c(F)cccc1F)c1ccc(cc1)[*:1]
CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2OCC)C1=O CCOc1ccccc1[*:1] CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@@H]2[*:1])C1=O
CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2OCC)C1=O CCC[*:1] CCOc1ccccc1[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CC(=O)N21)[*:1]
CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2OCC)C1=O CCO[*:1] CCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2[*:1])C1=O
CC(C)SCc1noc([C@@H]2CC[NH2+][C@H]2C)n1 CC(C)[*:1] C[C@@H]1[NH2+]CC[C@H]1c1nc(CS[*:1])no1
CC(C)SCc1noc([C@@H]2CC[NH2+][C@H]2C)n1 CC(C)SC[*:1] C[C@@H]1[NH2+]CC[C@H]1c1nc(no1)[*:1]
CC(C)SCc1noc([C@@H]2CC[NH2+][C@H]2C)n1 CC(C)S[*:1] C[C@@H]1[NH2+]CC[C@H]1c1nc(C[*:1])no1
CC(C)NC(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)C1 c1ccc2oc(cc2c1)[*:1] CC(C)NC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)NC(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)C1 CC(C)[*:1] O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)[C@@H]1CCCN(C1)C(=O)N[*:1]
CC(C)NC(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)C1 c1ccc(cc1)[*:1] CC(C)NC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](c1cc2ccccc2o1)[*:1]
COc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1NC(=O)C(C)C c1ccc(cc1)[*:1] COc1cc(ccc1NC(=O)C(C)C)NC(=O)C1(CCCC1)[*:1]
COc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1NC(=O)C(C)C CC(C)C(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)C1(CCCC1)c1ccccc1
COc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1NC(=O)C(C)C CC(C)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)C1(CCCC1)c1ccccc1
OC[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccccc1 c1ccc(cc1)[*:1] OC[C@H]([NH2+]Cc1cccc2OCCOc12)[*:1]
CC(C)c1nc(CC[NH3+])cs1 [NH3+]CC[*:1] CC(C)c1nc(cs1)[*:1]
CC(C)c1nc(CC[NH3+])cs1 CC(C)[*:1] [NH3+]CCc1csc(n1)[*:1]
Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)[C@@H]2CCCC[C@H]2C1=O
C[C@@H]1C[NH+]=C(N2CCN(C(=O)Cc3ccccc3OC(F)F)CC2)S1 FC(F)O[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)Cc1ccccc1[*:1]
C[C@@H]1C[NH+]=C(N2CCN(C(=O)Cc3ccccc3OC(F)F)CC2)S1 FC(F)[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)C(=O)Cc1ccccc1O[*:1]
CCCC(=O)Nc1n[nH]c(-c2ccccc2-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CCCC(=O)Nc1n[nH]c(n1)-c1ccccc1[*:1]
CCCC(=O)Nc1n[nH]c(-c2ccccc2-c2ccc(F)cc2)n1 CCC[*:1] O=C(Nc1n[nH]c(n1)-c1ccccc1-c1ccc(F)cc1)[*:1]
CCCC(=O)Nc1n[nH]c(-c2ccccc2-c2ccc(F)cc2)n1 CCCC(=O)N[*:1] Fc1ccc(cc1)-c1ccccc1-c1nc(n[nH]1)[*:1]
CCOC(=O)[C@@]1([NH3+])CCC[C@@H]1CCSc1n[nH]c(=O)n1C CCOC(=O)[*:1] Cn1c(n[nH]c1=O)SCC[C@H]1CCC[C@@]1([NH3+])[*:1]
CCOC(=O)[C@@]1([NH3+])CCC[C@@H]1CCSc1n[nH]c(=O)n1C Cn1c(n[nH]c1=O)[*:1] CCOC(=O)[C@@]1([NH3+])CCC[C@@H]1CCS[*:1]
CCCc1ccc(S(=O)(=O)NC[C@H](O)c2ccsc2)cc1 c1cc(cs1)[*:1] CCCc1ccc(cc1)S(=O)(=O)NC[C@H](O)[*:1]
CCCc1ccc(S(=O)(=O)NC[C@H](O)c2ccsc2)cc1 CCC[*:1] O=S(=O)(NC[C@H](O)c1ccsc1)c1ccc(cc1)[*:1]
COc1ccc(-c2cc(C)n([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(=S)c2C#N)cc1 COc1ccc(cc1)[*:1] Cc1cc(c(C#N)c(=S)n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[*:1]
CN(C)C(=O)c1sc2nc(C(F)(F)F)ccc2c1N FC(F)(F)[*:1] CN(C)C(=O)c1sc2nc(ccc2c1N)[*:1]
CN(C)C(=O)c1sc2nc(C(F)(F)F)ccc2c1N CN(C)C(=O)[*:1] Nc1c(sc2nc(ccc12)C(F)(F)F)[*:1]
CO[C@H]1CCCC[C@@H]1NC(=O)N(C)C[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CO[C@H]1CCCC[C@@H]1NC(=O)N(C)C[C@H](C)[*:1]
CNC(=O)CN(C)C(=O)NCC(C)(c1ccccc1)c1ccccc1 CNC(=O)[*:1] CN(C[*:1])C(=O)NCC(C)(c1ccccc1)c1ccccc1
CNC(=O)CN(C)C(=O)NCC(C)(c1ccccc1)c1ccccc1 CNC(=O)C[*:1] CN(C(=O)NCC(C)(c1ccccc1)c1ccccc1)[*:1]
CNC(=O)CN(C)C(=O)NCC(C)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CNC(=O)CN(C)C(=O)NCC(C)(c1ccccc1)[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)C[*:1]
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 COc1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1[*:1])OC(=O)Cc1ccc(Cl)cc1
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)[*:1]
O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1 O=C([O-])[*:1] O=C([O-])c1ccnc(c1)-c1cc(ccn1)[*:1]
CCCCn1c(=O)c2c(nc3n(-c4ccccc4O)c(C)c(C)n23)n(C)c1=O Oc1ccccc1[*:1] CCCCn1c(=O)c2c(nc3n(c(C)c(C)n23)[*:1])n(C)c1=O
CCCCn1c(=O)c2c(nc3n(-c4ccccc4O)c(C)c(C)n23)n(C)c1=O CCCC[*:1] Cc1c(C)n2c3c(=O)n(c(=O)n(C)c3nc2n1-c1ccccc1O)[*:1]
CCCCn1c(=O)c2c(nc3n(-c4ccccc4O)c(C)c(C)n23)n(C)c1=O CCC[*:1] Cc1c(C)n2c3c(=O)n(C[*:1])c(=O)n(C)c3nc2n1-c1ccccc1O
COc1ccc(C(=O)N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)o1 c1ccc(cc1)[*:1] COc1ccc(o1)C(=O)N1CCC(CC1)c1cc(C[*:1])n[nH]1
COc1ccc(C(=O)N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)o1 c1ccc(cc1)C[*:1] COc1ccc(o1)C(=O)N1CCC(CC1)c1cc(n[nH]1)[*:1]
COc1ccc(C(=O)N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)o1 COc1ccc(o1)[*:1] O=C(N1CCC(CC1)c1cc(Cc2ccccc2)n[nH]1)[*:1]
CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(C#N)cn2)cs1 CCO[C@@H](C)[*:1] CN(Cc1csc(n1)[*:1])C(=O)c1ccc(C#N)cn1
CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(C#N)cn2)cs1 CCO[*:1] C[C@@H](c1nc(cs1)CN(C)C(=O)c1ccc(C#N)cn1)[*:1]
COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C2=O)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)N1CCN([C@H](C)C1=O)S(=O)(=O)[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccco1)n2CC(=O)OC c1coc(c1)[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)[*:1])n2CC(=O)OC
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccco1)n2CC(=O)OC CCOC(=O)[*:1] COC(=O)Cn1/c(=N/C(=O)c2ccco2)sc2cc(ccc21)[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccco1)n2CC(=O)OC COC(=O)C[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccco1)n2[*:1]
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccco1)n2CC(=O)OC COC(=O)[*:1] CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccco1)n2C[*:1]
O=C(Nc1cccc(Cl)c1Cl)n1cnc2ccc([N+](=O)[O-])cc21 O=[N+]([O-])[*:1] O=C(Nc1cccc(Cl)c1Cl)n1cnc2ccc(cc21)[*:1]
O=C(Oc1ccc2nccnc2c1)c1ccn(-c2c(F)cccc2F)n1 Fc1cccc(F)c1[*:1] O=C(Oc1ccc2nccnc2c1)c1ccn(n1)[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)n1 COc1ccc(Cl)cc1[*:1] C[C@H]1CCC[C@H](NC(=O)CSc2nc(n[nH]2)[*:1])[C@@H]1C
CCCN(CC)c1cc(C)c(F)cc1[C@@H](C)[NH2+]C CCCN(CC)[*:1] C[NH2+][C@H](C)c1cc(F)c(C)cc1[*:1]
CCCN(CC)c1cc(C)c(F)cc1[C@@H](C)[NH2+]C CCC[*:1] CCN(c1cc(C)c(F)cc1[C@@H](C)[NH2+]C)[*:1]
CN(Cc1nc2ccccc2o1)C(=O)c1ccno1 c1cc(on1)[*:1] CN(Cc1nc2ccccc2o1)C(=O)[*:1]
CCCN1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCCN1CCN(CC1)C(=O)[C@H](C)NC(=O)[*:1]
CCCN1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)CC1 CCC[*:1] C[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(CC1)[*:1]
CC(=O)c1ccccc1NC(=O)CNc1ccc(C)c(F)c1 CC(=O)[*:1] Cc1ccc(cc1F)NCC(=O)Nc1ccccc1[*:1]
C=C(C)Cn1c(=O)n(CC(=O)OC)c(=O)c2c3c(sc21)CCC3 C=C(C)[*:1] COC(=O)Cn1c(=O)c2c3CCCc3sc2n(C[*:1])c1=O
C=C(C)Cn1c(=O)n(CC(=O)OC)c(=O)c2c3c(sc21)CCC3 COC(=O)C[*:1] C=C(C)Cn1c(=O)n(c(=O)c2c3CCCc3sc21)[*:1]
C=C(C)Cn1c(=O)n(CC(=O)OC)c(=O)c2c3c(sc21)CCC3 C=C(C)C[*:1] COC(=O)Cn1c(=O)c2c3CCCc3sc2n(c1=O)[*:1]
C=C(C)Cn1c(=O)n(CC(=O)OC)c(=O)c2c3c(sc21)CCC3 COC(=O)[*:1] C=C(C)Cn1c(=O)n(C[*:1])c(=O)c2c3CCCc3sc21
C[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1cccs1)C(=O)N1CCCCC1 c1csc(c1)C[*:1] C[C@H](NC(=O)[C@@H]1CCC(=O)N1[*:1])C(=O)N1CCCCC1
C[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1cccs1)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] C[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1cccs1)[*:1]
C[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1cccs1)C(=O)N1CCCCC1 c1csc(c1)[*:1] C[C@H](NC(=O)[C@@H]1CCC(=O)N1C[*:1])C(=O)N1CCCCC1
CO[C@@H](C)c1cccc(NC(=O)NCCc2nc(C(C)C)no2)c1 CC(C)[*:1] CO[C@@H](C)c1cccc(c1)NC(=O)NCCc1nc(no1)[*:1]
CO[C@@H](C)c1cccc(NC(=O)NCCc2nc(C(C)C)no2)c1 CO[C@@H](C)[*:1] CC(C)c1noc(CCNC(=O)Nc2cccc(c2)[*:1])n1
CO[C@@H](C)c1cccc(NC(=O)NCCc2nc(C(C)C)no2)c1 CC(C)c1noc(n1)[*:1] CO[C@@H](C)c1cccc(c1)NC(=O)NCC[*:1]
Cc1cccc([C@H](C)NC(=O)[C@H]2COCCO2)c1C C1CO[C@H](CO1)[*:1] Cc1cccc(c1C)[C@H](C)NC(=O)[*:1]
CC(C)[C@@H]1CCCN1c1cc2c(cc1Cl)C(=O)C(=O)N2 CC(C)[*:1] O=C1Nc2cc(c(Cl)cc2C1=O)N1CCC[C@H]1[*:1]
CCOC(=O)c1ccc(NC(=O)COc2c(F)c(F)c(F)c(F)c2F)cc1 CCOC(=O)[*:1] O=C(COc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(cc1)[*:1]
CO[C@H]1CC[C@@H]2OCCN(Cc3cccc(-n4cccn4)c3)[C@@H]2C1 c1cnn(c1)[*:1] CO[C@H]1CC[C@@H]2OCCN(Cc3cccc(c3)[*:1])[C@@H]2C1
CCN(C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C1CC1 Clc1ccc(cc1)[*:1] CCN(C(=O)N[C@H]1CC(=O)N(C)[C@@H]1[*:1])C1CC1
CCN(C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C1CC1 C1CC1[*:1] CCN(C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)[*:1]
C[C@H](Nc1ccc(CCN2CCOCC2)cc1)C(=O)Nc1cccnc1Cl C1CN(CCO1)CC[*:1] C[C@H](Nc1ccc(cc1)[*:1])C(=O)Nc1cccnc1Cl
C[C@H](Nc1ccc(CCN2CCOCC2)cc1)C(=O)Nc1cccnc1Cl C1CN(CCO1)C[*:1] C[C@H](Nc1ccc(cc1)C[*:1])C(=O)Nc1cccnc1Cl
C[C@H](Nc1ccc(CCN2CCOCC2)cc1)C(=O)Nc1cccnc1Cl C1CN(CCO1)[*:1] C[C@H](Nc1ccc(cc1)CC[*:1])C(=O)Nc1cccnc1Cl
C[C@H](Nc1ccc(CCN2CCOCC2)cc1)C(=O)Nc1cccnc1Cl Clc1ncccc1[*:1] C[C@H](Nc1ccc(cc1)CCN1CCOCC1)C(=O)N[*:1]
O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)C[*:1] O=C(N[C@H](C1CC1)[*:1])c1ccc([nH]c1=O)-c1ccccc1
O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc(-c2ccccc2)[nH]c1=O C1CC1[*:1] O=C(N[C@H](Cc1ccccc1)[*:1])c1ccc([nH]c1=O)-c1ccccc1
O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] O=C(N[C@H](C[*:1])C1CC1)c1ccc([nH]c1=O)-c1ccccc1
O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc([nH]c1=O)[*:1]
Cc1ccccc1-c1nc(-c2cccc(OCC(=O)NCc3ccccc3)c2)no1 c1ccc(cc1)[*:1] Cc1ccccc1-c1nc(no1)-c1cccc(c1)OCC(=O)NC[*:1]
Cc1ccccc1-c1nc(-c2cccc(OCC(=O)NCc3ccccc3)c2)no1 O=C(NCc1ccccc1)[*:1] Cc1ccccc1-c1nc(no1)-c1cccc(c1)OC[*:1]
Cc1ccccc1-c1nc(-c2cccc(OCC(=O)NCc3ccccc3)c2)no1 Cc1ccccc1[*:1] O=C(COc1cccc(c1)-c1noc(n1)[*:1])NCc1ccccc1
Cc1ccccc1-c1nc(-c2cccc(OCC(=O)NCc3ccccc3)c2)no1 c1ccc(cc1)C[*:1] Cc1ccccc1-c1nc(no1)-c1cccc(c1)OCC(=O)N[*:1]
Cc1ccc(NC(=O)[C@H]([NH3+])C(C)C)c(C)n1 CC(C)[*:1] Cc1ccc(NC(=O)[C@H]([NH3+])[*:1])c(C)n1
COC[C@H](Nc1ncnc2ccc(C)cc12)c1ccco1 c1coc(c1)[*:1] COC[C@H](Nc1ncnc2ccc(C)cc12)[*:1]
COC[C@H](Nc1ncnc2ccc(C)cc12)c1ccco1 COC[*:1] Cc1ccc2ncnc(N[C@H](c3ccco3)[*:1])c2c1
C=CCN1C(=S)N[C@H]2C[C@]1(C)Oc1c(OC)cccc12 C=CC[*:1] COc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=S)N1[*:1]
O=C(NCc1ccc(F)cc1)C1(NS(=O)(=O)c2cccc3cccnc23)CCCCC1 Fc1ccc(cc1)C[*:1] O=C(N[*:1])C1(CCCCC1)NS(=O)(=O)c1cccc2cccnc12
O=C(NCc1ccc(F)cc1)C1(NS(=O)(=O)c2cccc3cccnc23)CCCCC1 Fc1ccc(cc1)[*:1] O=C(NC[*:1])C1(CCCCC1)NS(=O)(=O)c1cccc2cccnc12
O=C(NCc1ccc(F)cc1)C1(NS(=O)(=O)c2cccc3cccnc23)CCCCC1 c1cnc2c(cccc2c1)[*:1] O=C(NCc1ccc(F)cc1)C1(CCCCC1)NS(=O)(=O)[*:1]
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C(=O)NC)cc2)C1=O CNC(=O)[*:1] CCC[C@@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O)c1ccccc1
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C(=O)NC)cc2)C1=O CCC[*:1] CNC(=O)c1ccc(cc1)NC(=O)CN1C(=O)N[C@](C1=O)(c1ccccc1)[*:1]
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C(=O)NC)cc2)C1=O CNC(=O)c1ccc(cc1)[*:1] CCC[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C(=O)NC)cc2)C1=O c1ccc(cc1)[*:1] CCC[C@@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)C(=O)NC)C1=O)[*:1]
C[C@H](O)CCC(=O)N(CCO)Cc1ccccc1 C[C@H](O)[*:1] O=C(CC[*:1])N(CCO)Cc1ccccc1
C[C@H](O)CCC(=O)N(CCO)Cc1ccccc1 C[C@H](O)C[*:1] O=C(C[*:1])N(CCO)Cc1ccccc1
C[C@H](O)CCC(=O)N(CCO)Cc1ccccc1 C[C@H](O)CC[*:1] O=C(N(CCO)Cc1ccccc1)[*:1]
C[C@H](O)CCC(=O)N(CCO)Cc1ccccc1 OCC[*:1] C[C@H](O)CCC(=O)N(Cc1ccccc1)[*:1]
C[C@H](O)CCC(=O)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@H](O)CCC(=O)N(CCO)C[*:1]
COc1ccc(NC(=O)C(=O)N/N=C(/C)CCc2ccccc2)cc1Cl c1ccc(cc1)C[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)N/N=C(/C)C[*:1]
COc1ccc(NC(=O)C(=O)N/N=C(/C)CCc2ccccc2)cc1Cl c1ccc(cc1)CC[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)NN=C(C)[*:1]
COc1ccc(NC(=O)C(=O)N/N=C(/C)CCc2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)C(=O)N/N=C(/C)CC[*:1]
O=C(NCc1ccncc1)c1sc(-n2cccc2)nc1-c1ccccc1 c1ccn(c1)[*:1] O=C(NCc1ccncc1)c1sc(nc1-c1ccccc1)[*:1]
O=C(NCc1ccncc1)c1sc(-n2cccc2)nc1-c1ccccc1 c1cc(ccn1)C[*:1] O=C(N[*:1])c1sc(nc1-c1ccccc1)-n1cccc1
O=C(NCc1ccncc1)c1sc(-n2cccc2)nc1-c1ccccc1 c1cc(ccn1)[*:1] O=C(NC[*:1])c1sc(nc1-c1ccccc1)-n1cccc1
O=C(NCc1ccncc1)c1sc(-n2cccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccncc1)c1sc(nc1[*:1])-n1cccc1
CC1CCC(NC(=O)N(C)C)(/C(N)=N/O)CC1 N/C(=N\O)[*:1] CC1CCC(CC1)(NC(=O)N(C)C)[*:1]
COc1ccccc1Nc1nc(C(C)C)nc2c(C)nn(C)c12 CC(C)[*:1] COc1ccccc1Nc1nc(nc2c(C)nn(C)c12)[*:1]
Cc1cc(C)cc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 Cc1cc(C)cc(c1)[*:1] O=C(N1CCc2cc(ccc21)S(=O)(=O)N1CCCCC1)[*:1]
Cc1cc(C)cc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 O=S(=O)(N1CCCCC1)[*:1] Cc1cc(C)cc(c1)C(=O)N1CCc2cc(ccc21)[*:1]
C[NH2+]C[C@@H](CC[C@H]1CCCO1)c1ccccc1C C1CO[C@H](C1)[*:1] C[NH2+]C[C@@H](CC[*:1])c1ccccc1C
C[NH2+]C[C@@H](CC[C@H]1CCCO1)c1ccccc1C C1CO[C@H](C1)C[*:1] C[NH2+]C[C@@H](C[*:1])c1ccccc1C
C[C@@H](NC(=S)NNC(=O)c1cccc(-n2cccc2)c1)C1CC1 c1ccn(c1)[*:1] C[C@@H](NC(=S)NNC(=O)c1cccc(c1)[*:1])C1CC1
C[C@@H](NC(=S)NNC(=O)c1cccc(-n2cccc2)c1)C1CC1 C1CC1[*:1] C[C@@H](NC(=S)NNC(=O)c1cccc(c1)-n1cccc1)[*:1]
Cc1ccc2ncc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2c1 NC(=O)[*:1] Cc1ccc2ncc(C(=O)Nc3sc4CCCCc4c3[*:1])n2c1
CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2CCCC[C@H]2C)c1 CCC(=O)N[*:1] C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(ccc1Cl)[*:1]
COc1ccc(CN2CCOC[C@H]2c2[nH]cc(-c3ccc(S(C)(=O)=O)cc3)[nH+]2)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)CN1CCOC[C@H]1c1[nH]cc([nH+]1)-c1ccc(cc1)[*:1]
COc1ccc(CN2CCOC[C@H]2c2[nH]cc(-c3ccc(S(C)(=O)=O)cc3)[nH+]2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)-c1c[nH]c([nH+]1)[C@@H]1COCCN1C[*:1]
COc1ccc(CN2CCOC[C@H]2c2[nH]cc(-c3ccc(S(C)(=O)=O)cc3)[nH+]2)cc1 CS(=O)(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)CN1CCOC[C@H]1c1[nH]cc([nH+]1)[*:1]
COc1ccc(CN2CCOC[C@H]2c2[nH]cc(-c3ccc(S(C)(=O)=O)cc3)[nH+]2)cc1 COc1ccc(cc1)C[*:1] CS(=O)(=O)c1ccc(cc1)-c1c[nH]c([nH+]1)[C@@H]1COCCN1[*:1]
CCc1cccc(NC(=O)CSCc2noc(CC)n2)c1 CCc1nc(no1)[*:1] CCc1cccc(c1)NC(=O)CSC[*:1]
COC(=O)CCC(=O)Nc1cc(F)c(F)cc1Cl COC(=O)[*:1] O=C(CC[*:1])Nc1cc(F)c(F)cc1Cl
COC(=O)CCC(=O)Nc1cc(F)c(F)cc1Cl COC(=O)C[*:1] O=C(C[*:1])Nc1cc(F)c(F)cc1Cl
COC(=O)CCC(=O)Nc1cc(F)c(F)cc1Cl COC(=O)CC[*:1] O=C(Nc1cc(F)c(F)cc1Cl)[*:1]
O=c1c([N+](=O)[O-])c(Nc2ccc(O)cc2)c2ccccc2n1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c(c(Nc2ccc(O)cc2)c2ccccc2n1[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(Nc2ccc(O)cc2)c2ccccc2n1-c1ccccc1 Oc1ccc(cc1)N[*:1] O=c1c(c(c2ccccc2n1-c1ccccc1)[*:1])[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(Nc2ccc(O)cc2)c2ccccc2n1-c1ccccc1 Oc1ccc(cc1)[*:1] O=c1c(c(N[*:1])c2ccccc2n1-c1ccccc1)[N+](=O)[O-]
O=c1c([N+](=O)[O-])c(Nc2ccc(O)cc2)c2ccccc2n1-c1ccccc1 O=[N+]([O-])[*:1] O=c1c(c(Nc2ccc(O)cc2)c2ccccc2n1-c1ccccc1)[*:1]
CC(C)N1CCO[C@H](C[NH2+][C@@H]2CCCCC2(C)C)C1 CC(C)[*:1] CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1CN(CCO1)[*:1]
C[C@H]1SC[C@H](C(=O)[O-])N1C(=O)[C@@H]1CSc2ccccc21 O=C([O-])[*:1] C[C@H]1SC[C@H](N1C(=O)[C@@H]1CSc2ccccc21)[*:1]
C[C@H](CC1CCCC1)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 C1CCC(C1)C[*:1] C[C@H]([NH2+]C1CCN(CC1)S(=O)(=O)C1CC1)[*:1]
C[C@H](CC1CCCC1)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 C1CCC(C1)[*:1] C[C@H](C[*:1])[NH2+]C1CCN(CC1)S(=O)(=O)C1CC1
C[C@H](CC1CCCC1)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] C[C@H](CC1CCCC1)[NH2+]C1CCN(CC1)S(=O)(=O)[*:1]
COCCOCCNC(=O)N1CCOC(C)(C)C1 COCCOC[*:1] CC1(C)CN(CCO1)C(=O)NC[*:1]
COCCOCCNC(=O)N1CCOC(C)(C)C1 COCCO[*:1] CC1(C)CN(CCO1)C(=O)NCC[*:1]
COCCOCCNC(=O)N1CCOC(C)(C)C1 COCC[*:1] CC1(C)CN(CCO1)C(=O)NCCO[*:1]
COCCOCCNC(=O)N1CCOC(C)(C)C1 COC[*:1] CC1(C)CN(CCO1)C(=O)NCCOC[*:1]
Cn1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1=O CC(C)(C)OC(=O)N[*:1] Cn1cc(ccc1=O)NC(=O)[C@H](Cc1ccccc1)[*:1]
Cn1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1=O CC(C)(C)[*:1] Cn1cc(ccc1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)O[*:1]
Cn1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1=O c1ccc(cc1)C[*:1] Cn1cc(ccc1=O)NC(=O)[C@H](NC(=O)OC(C)(C)C)[*:1]
Cn1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1=O c1ccc(cc1)[*:1] Cn1cc(ccc1=O)NC(=O)[C@H](C[*:1])NC(=O)OC(C)(C)C
Cn1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1=O Cn1cc(ccc1=O)[*:1] CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[*:1]
C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)c1ccc2c(c1)CCC2 c1cc2CCCc2cc1[*:1] C[C@@H](Sc1ccc(cn1)S(=O)(=O)N1CCCCC1)C(=O)[*:1]
C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)c1ccc2c(c1)CCC2 O=S(=O)(N1CCCCC1)[*:1] C[C@@H](Sc1ccc(cn1)[*:1])C(=O)c1ccc2CCCc2c1
CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CC(=O)N(CC2CC2)C1 C1CN(CCO1)[*:1] CN(Cc1ccccc1[*:1])C(=O)[C@H]1CC(=O)N(CC2CC2)C1
CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CC/C(=N/C)C1=C([O-])C[C@@H](c2ccccc2)CC1=O CCC(=NC)[*:1] O=C1C[C@@H](CC([O-])=C1[*:1])c1ccccc1
CC/C(=N/C)C1=C([O-])C[C@@H](c2ccccc2)CC1=O c1ccc(cc1)[*:1] CC/C(=N/C)C1C(=O)C[C@H](CC=1[O-])[*:1]
CCN(C[C@H]1CCCO1)C[C@@H]1[C@H]([NH3+])C(C)(C)OC1(C)C C1CO[C@H](C1)[*:1] CCN(C[C@@H]1[C@H]([NH3+])C(C)(C)OC1(C)C)C[*:1]
CCN(C[C@H]1CCCO1)C[C@@H]1[C@H]([NH3+])C(C)(C)OC1(C)C C1CO[C@H](C1)C[*:1] CCN(C[C@@H]1[C@H]([NH3+])C(C)(C)OC1(C)C)[*:1]
CCCC[NH+](CC)CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21 CCC[*:1] CC[NH+](CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)C[*:1]
CCCC[NH+](CC)CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21 CCCC[*:1] CC[NH+](CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)N[C@@H](C)Cn1cncn1 c1ncn(n1)[*:1] CCC[C@H]1[C@@H](C)CCCN1C(=O)N[C@@H](C)C[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)N[C@@H](C)Cn1cncn1 c1ncn(C[*:1])n1 CCC[C@H]1[C@@H](C)CCCN1C(=O)N[C@@H](C)[*:1]
CCC[C@H]1[C@@H](C)CCCN1C(=O)N[C@@H](C)Cn1cncn1 CCC[*:1] C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@H](C)[C@@H]1[*:1]
CCc1cccc(C)c1NC(=O)Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21 CCc1cccc(C)c1[*:1] O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)N[*:1]
CCc1cccc(C)c1NC(=O)Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21 O=C(N1CCCCC1)[*:1] CCc1cccc(C)c1NC(=O)Cn1c(=O)cc(c2ccccc21)[*:1]
CCOc1ccc(CCC(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 C1Cc2nnc(n2C1)[*:1] CCOc1ccc(cc1)CCC(=O)N1CCC(CC1)[*:1]
CCOc1ccc(CCC(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(CC[*:1])N1CCC(CC1)c1nnc2CCCn21
CCOc1ccc(CCC(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 CCO[*:1] O=C(CCc1ccc(cc1)[*:1])N1CCC(CC1)c1nnc2CCCn21
CCCN(CC#N)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 Clc1ccc(cc1)[*:1] CCCN(CC#N)C(=O)c1cc2c(C)nn(c2s1)[*:1]
CCCN(CC#N)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 CCC[*:1] Cc1nn(-c2ccc(Cl)cc2)c2sc(cc12)C(=O)N(CC#N)[*:1]
CCCN(CC#N)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 N#CC[*:1] CCCN(C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)[*:1]
CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 O=[N+]([O-])[*:1] CCn1c(C[NH+]2CCCC2)nc2cc(ccc21)NC(=O)c1cccc(c1)[*:1]
CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 O=[N+]([O-])c1cccc(c1)[*:1] CCn1c(C[NH+]2CCCC2)nc2cc(ccc21)NC(=O)[*:1]
Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1nc(C2CC2)cs1 Cc1ccsc1[*:1] O=C(OCc1nc(cs1)C1CC1)[C@@H]1C[C@@H]1[*:1]
Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1nc(C2CC2)cs1 C1CC1[*:1] Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1nc(cs1)[*:1]
CCOc1ccc(-c2nc(NC(=O)CSc3nc([O-])cc(=O)[nH]3)sc2C)cc1 CCO[*:1] Cc1sc(nc1-c1ccc(cc1)[*:1])NC(=O)CSc1nc([O-])cc(=O)[nH]1
CCOc1ccc(-c2nc(NC(=O)CSc3nc([O-])cc(=O)[nH]3)sc2C)cc1 CCOc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)CSc1nc([O-])cc(=O)[nH]1
NC(=O)Nc1ccc(C(=O)OCc2nnsc2Cl)cc1 NC(=O)N[*:1] O=C(OCc1nnsc1Cl)c1ccc(cc1)[*:1]
NC(=O)Nc1ccc(C(=O)OCc2nnsc2Cl)cc1 Clc1snnc1[*:1] NC(=O)Nc1ccc(cc1)C(=O)OC[*:1]
CCc1cnc(CNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCCC3)s1 CCc1cnc(s1)[*:1] O=C(NC[*:1])N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2
C#CCCN1CCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 C#CCC[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)N1CCN(CC1)[*:1]
C#CCCN1CCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 C#CC[*:1] C[C@@]1(CC1(Cl)Cl)C(=O)N1CCN(CC1)C[*:1]
O=C(NCc1ccccn1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 c1ccc(nc1)[*:1] O=C(NC[*:1])[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
CCOc1cc(NC(=O)NC[C@@H](C)CC2(C)OCCO2)ccc1C CCO[*:1] Cc1ccc(cc1[*:1])NC(=O)NC[C@@H](C)CC1(C)OCCO1
C[NH+](CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1[N+](=O)[O-] Clc1cccc(c1)[*:1] C[NH+](CC(=O)N[*:1])Cc1ccccc1[N+](=O)[O-]
C[NH+](CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[NH+](CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1[*:1]
CN(Cc1n[nH]c2c1CCCC2)C(=O)c1cn(CC[NH+]2CCCCC2)nn1 C1CCc2c(n[nH]c2C1)[*:1] CN(C[*:1])C(=O)c1cn(CC[NH+]2CCCCC2)nn1
C=C(C)CN(CC)C(=O)c1ccc(-n2cccc2)nc1 c1ccn(c1)[*:1] C=C(C)CN(CC)C(=O)c1ccc(nc1)[*:1]
C=C(C)CN(CC)C(=O)c1ccc(-n2cccc2)nc1 C=C(C)[*:1] CCN(C[*:1])C(=O)c1ccc(nc1)-n1cccc1
C=C(C)CN(CC)C(=O)c1ccc(-n2cccc2)nc1 C=C(C)C[*:1] CCN(C(=O)c1ccc(nc1)-n1cccc1)[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(N3CCOCC3)[nH+]c2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc([nH+]c1)N1CCOCC1)N1CCC[C@@H]1[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(N3CCOCC3)[nH+]c2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)Nc1ccc([nH+]c1)[*:1]
CCn1cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c2ccccc21 NS(=O)(=O)[*:1] CCn1cc(C(=O)N[C@H](C)c2ccc(cc2)[*:1])c2ccccc21
CCCn1nnnc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O CCC[*:1] O=C1c2ccc(cc2C(=O)N1Cc1nnnn1[*:1])[N+](=O)[O-]
CCCn1nnnc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O O=[N+]([O-])[*:1] CCCn1nnnc1CN1C(=O)c2ccc(cc2C1=O)[*:1]
CCOC(=O)N1CCN(c2ncnc(NNC(=O)c3ccccc3Cl)c2N)CC1 Clc1ccccc1[*:1] CCOC(=O)N1CCN(CC1)c1ncnc(NNC(=O)[*:1])c1N
CC(C)COC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O CC(C)COC(=O)[*:1] O=C1c2ccc(Br)cc2C(=O)N1CC[*:1]
CC(C)COC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O CC(C)C[*:1] O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)O[*:1]
CC(C)COC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O CC(C)[*:1] O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)OC[*:1]
CN(C(=O)COc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CN(C(=O)COc1ccc(F)cc1)c1ccc(cc1)[*:1]
CN(C(=O)COc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 Fc1ccc(cc1)[*:1] CN(C(=O)CO[*:1])c1ccc(cc1)[N+](=O)[O-]
Cc1ccc([C@H](C)NC(=O)CNc2ccc(F)c(C(=O)N(C)C)c2)cc1C CN(C)C(=O)[*:1] Cc1ccc(cc1C)[C@H](C)NC(=O)CNc1ccc(F)c(c1)[*:1]
Cc1ccc([C@H](C)NC(=O)CNc2ccc(F)c(C(=O)N(C)C)c2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](NC(=O)CNc1ccc(F)c(c1)C(=O)N(C)C)[*:1]
C#CCNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 c1ccc(cc1)[*:1] C#CCNC(=O)[C@H]1CCCN(C1)C(=O)CCO[*:1]
C#CCNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 C#CCNC(=O)[*:1] O=C(CCOc1ccccc1)N1CCC[C@@H](C1)[*:1]
C#CCNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 c1ccc(cc1)O[*:1] C#CCNC(=O)[C@H]1CCCN(C1)C(=O)CC[*:1]
C#CCNC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 C#CC[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)CCOc1ccccc1
Cc1nc2nc3ccccc3n2c([O-])c1Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nc2nc3ccccc3n2c([O-])c1C[*:1]
CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc([S@@](=O)C(C)C)cc2)C1 CCS[*:1] CC(C)[S@](=O)c1ccc(cc1)C(=O)N(C)[C@@H]1CC[C@H](C1)[*:1]
CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc([S@@](=O)C(C)C)cc2)C1 CC(C)[S@](=O)[*:1] CCS[C@@H]1CC[C@H](C1)N(C)C(=O)c1ccc(cc1)[*:1]
CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc([S@@](=O)C(C)C)cc2)C1 CC(C)[*:1] CCS[C@@H]1CC[C@H](C1)N(C)C(=O)c1ccc(cc1)[S@@](=O)[*:1]
CCc1cc2c(=O)n(CC(=O)NN=Cc3ccc(C)cc3)cnc2s1 Cc1ccc(cc1)[*:1] CCc1cc2c(=O)n(cnc2s1)CC(=O)NN=C[*:1]
Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1cn(C)nc1-c1cccs1)N2 c1csc(c1)[*:1] Cc1ccc2N[C@H](c3cn(C)nc3[*:1])N(C)C(=O)c2c1
CC(C)=CC(=O)Cc1ccc(F)cc1Cl CC(C)=C[*:1] O=C(Cc1ccc(F)cc1Cl)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](n4cc[nH+]c4C)C3)n[nH]2)o1 Cc1ccc(o1)[*:1] Cc1[nH+]ccn1[C@@H]1CCCN(C1)C(=O)c1cc([nH]n1)[*:1]
O=C(COc1ccc(F)cc1)NNC(=O)Cc1ccccc1F Fc1ccccc1[*:1] O=C(COc1ccc(F)cc1)NNC(=O)C[*:1]
O=C(COc1ccc(F)cc1)NNC(=O)Cc1ccccc1F Fc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=O)Cc1ccccc1F
Cc1ccccc1[C@@H](CC(=O)N[C@H](C)Cc1cccs1)NC(N)=O Cc1ccccc1[*:1] C[C@H](Cc1cccs1)NC(=O)C[C@@H](NC(N)=O)[*:1]
Cc1ccccc1[C@@H](CC(=O)N[C@H](C)Cc1cccs1)NC(N)=O C[C@H](Cc1cccs1)[*:1] Cc1ccccc1[C@@H](CC(=O)N[*:1])NC(N)=O
Cc1ccccc1[C@@H](CC(=O)N[C@H](C)Cc1cccs1)NC(N)=O c1csc(c1)[*:1] Cc1ccccc1[C@@H](CC(=O)N[C@H](C)C[*:1])NC(N)=O
Cc1ccccc1[C@@H](CC(=O)N[C@H](C)Cc1cccs1)NC(N)=O c1csc(c1)C[*:1] Cc1ccccc1[C@@H](CC(=O)N[C@H](C)[*:1])NC(N)=O
Cc1ccccc1[C@@H](CC(=O)N[C@H](C)Cc1cccs1)NC(N)=O NC(=O)N[*:1] Cc1ccccc1[C@@H](CC(=O)N[C@H](C)Cc1cccs1)[*:1]
COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] COc1ccc(cc1CC(=O)Nc1ccc2nc(oc2c1)[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2nc(C3CC3)oc2c1 CC(=O)[*:1] COc1ccc(cc1CC(=O)Nc1ccc2nc(oc2c1)C1CC1)[*:1]
COc1ccc(OCc2ccccn2)c(/C=C/C(=O)N2CCC([NH+](C)C)CC2)c1 c1ccc(nc1)[*:1] COc1ccc(OC[*:1])c(/C=C/C(=O)N2CCC(CC2)[NH+](C)C)c1
COc1ccc(OCc2ccccn2)c(/C=C/C(=O)N2CCC([NH+](C)C)CC2)c1 c1ccc(C[*:1])nc1 COc1ccc(O[*:1])c(/C=C/C(=O)N2CCC(CC2)[NH+](C)C)c1
COc1ccc(OCc2ccccn2)c(/C=C/C(=O)N2CCC([NH+](C)C)CC2)c1 c1ccc(CO[*:1])nc1 COc1ccc(c(/C=C/C(=O)N2CCC(CC2)[NH+](C)C)c1)[*:1]
Cc1ccc(C(=O)N(C)C)cc1N[C@H]1CC[NH2+]C1 CN(C)C(=O)[*:1] Cc1ccc(cc1N[C@H]1CC[NH2+]C1)[*:1]
NNc1cc(Cn2cc([N+](=O)[O-])cn2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] NNc1cc(ccc1[N+](=O)[O-])Cn1cc(cn1)[*:1]
NNc1cc(Cn2cc([N+](=O)[O-])cn2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] NNc1cc(ccc1[*:1])Cn1cc(cn1)[N+](=O)[O-]
CCCc1ccc(C(=O)NNc2c(Cl)cncc2Cl)cc1 CCC[*:1] O=C(NNc1c(Cl)cncc1Cl)c1ccc(cc1)[*:1]
C[C@H](CCc1ccccc1)Cc1nc(-c2ccc(C#N)cn2)no1 N#Cc1ccc(nc1)[*:1] C[C@H](CCc1ccccc1)Cc1nc(no1)[*:1]
C[C@H](CCc1ccccc1)Cc1nc(-c2ccc(C#N)cn2)no1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])Cc1nc(no1)-c1ccc(C#N)cn1
C[C@H](CCc1ccccc1)Cc1nc(-c2ccc(C#N)cn2)no1 c1ccc(cc1)C[*:1] C[C@@H](Cc1nc(no1)-c1ccc(C#N)cn1)C[*:1]
C[C@H](CCc1ccccc1)Cc1nc(-c2ccc(C#N)cn2)no1 c1ccc(cc1)CC[*:1] C[C@H](Cc1nc(no1)-c1ccc(C#N)cn1)[*:1]
NC(=O)C1(NC(=O)c2nc(C3CC3)n3ccccc23)CC1 NC(=O)C1(CC1)[*:1] O=C(N[*:1])c1nc(C2CC2)n2ccccc12
NC(=O)C1(NC(=O)c2nc(C3CC3)n3ccccc23)CC1 NC(=O)[*:1] O=C(NC1(CC1)[*:1])c1nc(C2CC2)n2ccccc12
NC(=O)C1(NC(=O)c2nc(C3CC3)n3ccccc23)CC1 C1CC1[*:1] NC(=O)C1(CC1)NC(=O)c1nc(n2ccccc12)[*:1]
O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)C1CCCCC1 Clc1cccc(c1)[*:1] O=C(Nc1c2C[S@@](=O)Cc2nn1[*:1])C1CCCCC1
O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)C1CCCCC1 C1CCC(CC1)[*:1] O=C(Nc1c2C[S@@](=O)Cc2nn1-c1cccc(Cl)c1)[*:1]
O=C(CCc1cccc(C2CC[NH2+]CC2)n1)Nc1nccs1 c1csc(n1)[*:1] O=C(CCc1cccc(n1)C1CC[NH2+]CC1)N[*:1]
CN(C)C(=O)N1CCN(C(=O)Nc2ccccc2OC2CCCC2)CC1 C1CCC(C1)O[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)Nc1ccccc1[*:1]
CN(C)C(=O)N1CCN(C(=O)Nc2ccccc2OC2CCCC2)CC1 C1CCC(C1)[*:1] CN(C)C(=O)N1CCN(CC1)C(=O)Nc1ccccc1O[*:1]
COc1ccc(NC(=O)N2CCCSC[C@@H]2CN2CCOCC2)c(OC)c1 C1CN(CCO1)[*:1] COc1ccc(NC(=O)N2CCCSC[C@@H]2C[*:1])c(c1)OC
COc1ccc(NC(=O)N2CCCSC[C@@H]2CN2CCOCC2)c(OC)c1 C1CN(CCO1)C[*:1] COc1ccc(NC(=O)N2CCCSC[C@H]2[*:1])c(c1)OC
Cc1ccc([C@H]2C[C@@H]2C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)s1 O=C(N1CCCC1)[*:1] Cc1ccc(s1)[C@H]1C[C@@H]1C(=O)N1CCN(CC1)[C@@H](C)[*:1]
Cc1ccc([C@H]2C[C@@H]2C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)s1 Cc1ccc(s1)[*:1] C[C@@H](C(=O)N1CCCC1)N1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
C[C@@H](Nc1cnccc1C#N)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](Nc1cnccc1C#N)C(=O)NC[*:1]
C[C@@H](Nc1cnccc1C#N)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](Nc1cnccc1C#N)C(=O)N[*:1]
O=C(CCC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccc(Cl)cc1 Fc1ccc(cc1F)[*:1] O=C(CCC(=O)N1CCO[C@@H](C1)[*:1])c1ccc(Cl)cc1
O=C(CCC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] O=C(CC[*:1])N1CCO[C@H](C1)c1ccc(F)c(F)c1
O=C(CCC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCC(=O)[*:1])N1CCO[C@H](C1)c1ccc(F)c(F)c1
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCC(CCc2ccc(O)cc2)CC1
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 Oc1ccc(cc1)C[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(CC1)C[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 Oc1ccc(cc1)CC[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(CC1)[*:1]
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(CC1)CC[*:1]
C=CC[NH+](CC=C)CC(=O)c1c[nH]c2ccccc12 C=CC[*:1] C=CC[NH+](CC(=O)c1c[nH]c2ccccc12)[*:1]
CC(C)Cn1c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccccc1F CC(C)[*:1] C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1C[*:1]
CC(C)Cn1c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccccc1F CC(C)C[*:1] C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1[*:1]
CC(C)Cn1c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccccc1F Fc1ccccc1[*:1] CC(C)Cn1c(nnc1[*:1])SCC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C
O=C(c1ccc(CSc2ncn[nH]2)cc1)N(CC1CC1)c1ccccc1 c1n[nH]c(n1)SC[*:1] O=C(c1ccc(cc1)[*:1])N(CC1CC1)c1ccccc1
O=C(c1ccc(CSc2ncn[nH]2)cc1)N(CC1CC1)c1ccccc1 C1CC1[*:1] O=C(c1ccc(cc1)CSc1ncn[nH]1)N(C[*:1])c1ccccc1
O=C(c1ccc(CSc2ncn[nH]2)cc1)N(CC1CC1)c1ccccc1 C1CC1C[*:1] O=C(c1ccc(cc1)CSc1ncn[nH]1)N(c1ccccc1)[*:1]
O=C(c1ccc(CSc2ncn[nH]2)cc1)N(CC1CC1)c1ccccc1 c1n[nH]c(n1)S[*:1] O=C(c1ccc(cc1)C[*:1])N(CC1CC1)c1ccccc1
O=C(c1ccc(CSc2ncn[nH]2)cc1)N(CC1CC1)c1ccccc1 c1n[nH]c(n1)[*:1] O=C(c1ccc(cc1)CS[*:1])N(CC1CC1)c1ccccc1
O=C(c1ccc(CSc2ncn[nH]2)cc1)N(CC1CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1ccc(cc1)CSc1ncn[nH]1)N(CC1CC1)[*:1]
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCCCC1 CC(=O)N[*:1] O=C(NC1CCCCCCC1)[C@H](Cc1c[nH]c2ccccc12)[*:1]
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCCCC1 C1CCCC(CCC1)[*:1] CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1]
Cc1ccc(Br)cc1N1CC[C@@H](C(=O)NC[C@@H]2CCCO2)C1=O C1CO[C@@H](C1)[*:1] Cc1ccc(Br)cc1N1CC[C@@H](C(=O)NC[*:1])C1=O
Cc1ccc(Br)cc1N1CC[C@@H](C(=O)NC[C@@H]2CCCO2)C1=O C1CO[C@@H](C1)C[*:1] Cc1ccc(Br)cc1N1CC[C@@H](C(=O)N[*:1])C1=O
CC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC(C)NC(=O)Nc1cccc(c1)C(=O)NC[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc(Cl)cc2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)C(=O)NCc1ccc(Cl)cc1)N[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc(Cl)cc2)c1 Clc1ccc(cc1)C[*:1] CC(C)NC(=O)Nc1cccc(c1)C(=O)N[*:1]
CC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc(Cl)cc2)c1 CC(C)NC(=O)N[*:1] O=C(NCc1ccc(Cl)cc1)c1cccc(c1)[*:1]
Cc1ccc(Cn2nc(C)c(C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)c2Cl)cc1 Cc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1C(=O)N1CCN(CC1)C(=O)C(=O)N1CCCC1)[*:1]
Cc1ccc(Cn2nc(C)c(C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)c2Cl)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)N1CCN(CC1)C(=O)C(=O)N1CCCC1
O=C(CCSc1ccc(Cl)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 Clc1ccc(cc1)[*:1] O=C(CCS[*:1])N1CCC[C@@H](C1)c1nnc2ccccn12
O=C(CCSc1ccc(Cl)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 Clc1ccc(cc1)S[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)c1nnc2ccccn12
O=C(CCSc1ccc(Cl)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 c1ccn2c(nnc2c1)[*:1] O=C(CCSc1ccc(Cl)cc1)N1CCC[C@H](C1)[*:1]
O=C(CCSc1ccc(Cl)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 Clc1ccc(cc1)SC[*:1] O=C(C[*:1])N1CCC[C@@H](C1)c1nnc2ccccn12
CCc1nc(CNc2cc(C)c(NC(C)=O)c(C)c2)cs1 CC(=O)N[*:1] CCc1nc(cs1)CNc1cc(C)c(c(C)c1)[*:1]
CCc1nc(CNc2cc(C)c(NC(C)=O)c(C)c2)cs1 CCc1nc(cs1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC[*:1]
CCNC(=O)c1ccc(NCCOC2CCCCC2)[nH+]n1 CCNC(=O)[*:1] c1cc(NCCOC2CCCCC2)[nH+]nc1[*:1]
CCNC(=O)c1ccc(NCCOC2CCCCC2)[nH+]n1 C1CCC(CC1)[*:1] CCNC(=O)c1ccc(NCCO[*:1])[nH+]n1
CCNC(=O)c1ccc(NCCOC2CCCCC2)[nH+]n1 C1CCC(CC1)O[*:1] CCNC(=O)c1ccc(NCC[*:1])[nH+]n1
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(cc1)[*:1]
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(cc1)C[*:1]
CC(=O)N1CCc2cc(S(=O)(=O)Nc3c(C)nn(C)c3C)ccc21 Cc1nn(C)c(C)c1[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[*:1]
O=C1CCc2cc(OCCSCc3nc(C4CC4)no3)ccc2N1 C1CC1c1noc(n1)[*:1] O=C1CCc2cc(ccc2N1)OCCSC[*:1]
O=C1CCc2cc(OCCSCc3nc(C4CC4)no3)ccc2N1 C1CC1[*:1] O=C1CCc2cc(ccc2N1)OCCSCc1nc(no1)[*:1]
CCN(C(=O)Nc1ccc(Cl)cc1)[C@H](C)CS(=O)(=O)CC CCS(=O)(=O)C[*:1] CCN(C(=O)Nc1ccc(Cl)cc1)[C@H](C)[*:1]
CCN(C(=O)Nc1ccc(Cl)cc1)[C@H](C)CS(=O)(=O)CC Clc1ccc(cc1)[*:1] CCN(C(=O)N[*:1])[C@H](C)CS(=O)(=O)CC
CCN(C(=O)Nc1ccc(Cl)cc1)[C@H](C)CS(=O)(=O)CC CCS(=O)(=O)[*:1] CCN(C(=O)Nc1ccc(Cl)cc1)[C@H](C)C[*:1]
Cc1ccc([C@@H](C)Nc2ccc(N)cc2C(=O)[O-])cc1F O=C([O-])[*:1] Cc1ccc(cc1F)[C@@H](C)Nc1ccc(N)cc1[*:1]
O=C(CSc1nnc(-c2cccs2)o1)N1CCC[C@@H]2CCCC[C@H]21 c1csc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])N1CCC[C@@H]2CCCC[C@H]21
COc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1 Clc1ccc(c(Cl)c1)[*:1] COc1cccc(c1)NC(=O)CCc1ncc(o1)[*:1]
COc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1 COc1cccc(c1)[*:1] O=C(CCc1ncc(o1)-c1ccc(Cl)cc1Cl)N[*:1]
CC(C)c1noc(CC[NH2+][C@H](C)CC2CCOCC2)n1 CC(C)[*:1] C[C@H](CC1CCOCC1)[NH2+]CCc1nc(no1)[*:1]
CC(C)c1noc(CC[NH2+][C@H](C)CC2CCOCC2)n1 C1CC(CCO1)[*:1] CC(C)c1noc(CC[NH2+][C@H](C)C[*:1])n1
C[C@@H]1C[C@@H]1C(=O)O[C@@H](c1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1C(=O)O[C@@H](c1cccnc1)[*:1]
C[C@@H]1C[C@@H]1C(=O)O[C@@H](c1ccccc1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H]1C[C@@H]1C(=O)O[C@@H](c1ccccc1)[*:1]
CCc1cccc(CC)c1NC(=O)N(C)Cc1ccccc1F Fc1ccccc1[*:1] CCc1cccc(CC)c1NC(=O)N(C)C[*:1]
O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccccc1 c1csc(c1)[*:1] O=C(CN1CCc2sccc2[C@@H]1[*:1])Nc1ccccc1
O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCc2sccc2[C@H]1c1cccs1)N[*:1]
COC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1 Clc1ccc(cc1)[*:1] COC[C@@H](NC(=O)C[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1 COC[*:1] O=C(Cc1ccc(Cl)cc1)N[C@@H](c1ccc(F)c(F)c1)[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)[C@@H](C)Sc2nncn2C)cc1 Cn1cnnc1S[*:1] Cc1ccc(cc1)N(Cc1ccco1)C(=O)[C@@H](C)[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)[C@@H](C)Sc2nncn2C)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)N(C(=O)[C@@H](C)Sc1nncn1C)[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)[C@@H](C)Sc2nncn2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nncn1C)C(=O)N(Cc1ccco1)[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)[C@@H](C)Sc2nncn2C)cc1 Cn1cnnc1[*:1] Cc1ccc(cc1)N(Cc1ccco1)C(=O)[C@@H](C)S[*:1]
Cc1ccc(N(Cc2ccco2)C(=O)[C@@H](C)Sc2nncn2C)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N(C[*:1])C(=O)[C@@H](C)Sc1nncn1C
Cc1ccc(CN2CCOCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])CN1CCOCC1
COC(=O)[C@@H](C)c1ccc(Cl)c(OC)c1 COC(=O)[*:1] COc1cc(ccc1Cl)[C@H](C)[*:1]
COC(=O)c1sc(NC(=O)Cc2cccc(Cl)c2)nc1C Clc1cccc(c1)[*:1] COC(=O)c1sc(nc1C)NC(=O)C[*:1]
COC(=O)c1sc(NC(=O)Cc2cccc(Cl)c2)nc1C COC(=O)[*:1] Cc1nc(NC(=O)Cc2cccc(Cl)c2)sc1[*:1]
N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1[*:1]
N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1 N#Cc1ccccc1[*:1] O=S(=O)([N-]c1ccccc1-c1ccccc1)[*:1]
COC(=O)c1cccc(N2CCCN(c3cccnn3)CC2)n1 c1cnnc(c1)[*:1] COC(=O)c1cccc(n1)N1CCCN(CC1)[*:1]
COC(=O)c1cccc(N2CCCN(c3cccnn3)CC2)n1 COC(=O)[*:1] c1cnnc(c1)N1CCCN(CC1)c1cccc(n1)[*:1]
Cc1ccc(C)c(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 NS(=O)(=O)[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)NCCc1ccc(cc1)[*:1]
Cc1ccc(C)c(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 Cc1ccc(C)c(c1)[*:1] NS(=O)(=O)c1ccc(cc1)CCNC(=O)C(=O)N[*:1]
CNC(=O)c1cccc(CNC(=O)CCC(=O)c2cccs2)c1 c1csc(c1)[*:1] CNC(=O)c1cccc(c1)CNC(=O)CCC(=O)[*:1]
CNC(=O)c1cccc(CNC(=O)CCC(=O)c2cccs2)c1 CNC(=O)[*:1] O=C(CCC(=O)c1cccs1)NCc1cccc(c1)[*:1]
CNC(=O)c1cccc(CNC(=O)CCC(=O)c2cccs2)c1 O=C(c1cccs1)[*:1] CNC(=O)c1cccc(c1)CNC(=O)CC[*:1]
C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] C[C@H](Sc1ccccc1Cl)C(=O)N[*:1]
COCc1nc2cc(NC(=O)C[C@@H](C)c3ccc(F)cc3)ccc2o1 Fc1ccc(cc1)[*:1] COCc1nc2cc(ccc2o1)NC(=O)C[C@@H](C)[*:1]
COCc1nc2cc(NC(=O)C[C@@H](C)c3ccc(F)cc3)ccc2o1 COC[*:1] C[C@H](CC(=O)Nc1ccc2oc(nc2c1)[*:1])c1ccc(F)cc1
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)c(C)c1 CCC(=O)N[*:1] Cc1cc(ccc1S(=O)(=O)Nc1ccc(cc1)CC(=O)N(C)C)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)c(C)c1 CN(C)C(=O)C[*:1] CCC(=O)Nc1ccc(c(C)c1)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N(C)C)cc2)c(C)c1 CN(C)C(=O)[*:1] CCC(=O)Nc1ccc(c(C)c1)S(=O)(=O)Nc1ccc(cc1)C[*:1]
Cc1ccc2c(c1)cc(C[NH2+]Cc1cnn(C)c1C)c(=O)n2Cc1ccccc1C Cc1ccccc1C[*:1] Cc1ccc2c(c1)cc(C[NH2+]Cc1cnn(C)c1C)c(=O)n2[*:1]
Cc1ccc2c(c1)cc(C[NH2+]Cc1cnn(C)c1C)c(=O)n2Cc1ccccc1C Cc1c(cnn1C)[*:1] Cc1ccc2c(c1)cc(C[NH2+]C[*:1])c(=O)n2Cc1ccccc1C
Cc1ccc2c(c1)cc(C[NH2+]Cc1cnn(C)c1C)c(=O)n2Cc1ccccc1C Cc1ccccc1[*:1] Cc1ccc2c(c1)cc(C[NH2+]Cc1cnn(C)c1C)c(=O)n2C[*:1]
O=C(Nc1ccc(Br)cn1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 O=[N+]([O-])c1ncn(n1)[*:1] O=C(Nc1ccc(Br)cn1)c1ccc(cc1)C[*:1]
O=C(Nc1ccc(Br)cn1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 O=[N+]([O-])[*:1] O=C(Nc1ccc(Br)cn1)c1ccc(cc1)Cn1cnc(n1)[*:1]
O=C(Nc1ccc(Br)cn1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 Brc1ccc(nc1)[*:1] O=C(N[*:1])c1ccc(cc1)Cn1cnc(n1)[N+](=O)[O-]
Cc1ccc(CNC(=O)NCc2cc3n(n2)CCC[NH+](CC(C)C)C3)cc1 CC(C)C[*:1] Cc1ccc(cc1)CNC(=O)NCc1cc2C[NH+](CCCn2n1)[*:1]
Cc1ccc(CNC(=O)NCc2cc3n(n2)CCC[NH+](CC(C)C)C3)cc1 CC(C)[*:1] Cc1ccc(cc1)CNC(=O)NCc1cc2C[NH+](CCCn2n1)C[*:1]
Cc1ccc(CNC(=O)NCc2cc3n(n2)CCC[NH+](CC(C)C)C3)cc1 Cc1ccc(cc1)C[*:1] CC(C)C[NH+]1CCCn2nc(cc2C1)CNC(=O)N[*:1]
Cc1ccc(CNC(=O)NCc2cc3n(n2)CCC[NH+](CC(C)C)C3)cc1 Cc1ccc(cc1)[*:1] CC(C)C[NH+]1CCCn2nc(cc2C1)CNC(=O)NC[*:1]
O=C1C(=O)N(CC[NH+]2CCOCC2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1C(=O)N(CC[NH+]2CCOCC2)[C@H](/C1=C(\O)[*:1])c1ccccc1F
O=C1C(=O)N(CC[NH+]2CCOCC2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccc(F)cc1 Fc1ccccc1[*:1] O=C1C(=O)N(CC[NH+]2CCOCC2)[C@@H](/C1=C(\O)c1ccc(F)cc1)[*:1]
C[C@@H]([C@H](C)C(=O)[O-])S(=O)(=O)C1CCOCC1 O=C([O-])[*:1] C[C@@H]([C@H](C)[*:1])S(=O)(=O)C1CCOCC1
NS(=O)(=O)Cc1ccc(NC(=O)/C=C/C2CC2)cc1 NS(=O)(=O)[*:1] O=C(/C=C/C1CC1)Nc1ccc(cc1)C[*:1]
NS(=O)(=O)Cc1ccc(NC(=O)/C=C/C2CC2)cc1 NS(=O)(=O)C[*:1] O=C(/C=C/C1CC1)Nc1ccc(cc1)[*:1]
NS(=O)(=O)Cc1ccc(NC(=O)/C=C/C2CC2)cc1 C(=C[*:1])C1CC1 NS(=O)(=O)Cc1ccc(cc1)NC(=O)[*:1]
NS(=O)(=O)Cc1ccc(NC(=O)/C=C/C2CC2)cc1 C1CC1[*:1] NS(=O)(=O)Cc1ccc(cc1)NC(=O)C=C[*:1]
Cc1cccc(O[C@@H](C)C(=O)N/N=C2\[NH+]=C(N)c3ccccc32)c1 Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N/N=C1\[NH+]=C(N)c2ccccc21
Cc1cccc(O[C@@H](C)C(=O)N/N=C2\[NH+]=C(N)c3ccccc32)c1 Cc1cccc(c1)O[*:1] C[C@@H](C(=O)N/N=C1\[NH+]=C(N)c2ccccc21)[*:1]
N#CCC[C@H](C#N)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O O=[N+]([O-])[*:1] N#CCC[C@H](C#N)Cn1cnc2ccc(cc2c1=O)[*:1]
N#CCC[C@H](C#N)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O N#CCC[*:1] N#C[C@H](Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])[*:1]
N#CCC[C@H](C#N)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O N#CC[*:1] N#C[C@H](Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])C[*:1]
CCOC(=O)c1nc([C@@H]2CSCCO2)no1 CCOC(=O)[*:1] C1CSC[C@H](O1)c1noc(n1)[*:1]
O=C1C[C@@H](c2cc(=O)n3ncc(-c4ccc(Cl)cc4)c3[nH]2)CN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1C[C@H](CN1[*:1])c1cc(=O)n2ncc(-c3ccc(Cl)cc3)c2[nH]1
O=C1C[C@@H](c2cc(=O)n3ncc(-c4ccc(Cl)cc4)c3[nH]2)CN1Cc1ccccc1 Clc1ccc(cc1)[*:1] O=C1C[C@H](CN1Cc1ccccc1)c1cc(=O)n2ncc(c2[nH]1)[*:1]
O=C1C[C@@H](c2cc(=O)n3ncc(-c4ccc(Cl)cc4)c3[nH]2)CN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](CN1C[*:1])c1cc(=O)n2ncc(-c3ccc(Cl)cc3)c2[nH]1
CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)Cc2cccc(C)c2)C1 Cc1cccc(c1)C[*:1] CCNC(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1cc(no1)-c1ccccc1
CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)Cc2cccc(C)c2)C1 CCNC(=O)[*:1] Cc1cccc(c1)CC(=O)N1CCC[C@](Cc2cc(no2)-c2ccccc2)(C1)[*:1]
CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)Cc2cccc(C)c2)C1 c1ccc(cc1)[*:1] CCNC(=O)[C@]1(CCCN(C1)C(=O)Cc1cccc(C)c1)Cc1cc(no1)[*:1]
CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)Cc2cccc(C)c2)C1 c1ccc(cc1)-c1cc(on1)[*:1] CCNC(=O)[C@]1(CCCN(C1)C(=O)Cc1cccc(C)c1)C[*:1]
CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)Cc2cccc(C)c2)C1 Cc1cccc(c1)[*:1] CCNC(=O)[C@]1(CCCN(C1)C(=O)C[*:1])Cc1cc(no1)-c1ccccc1
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCCC2(C1)OCCO2 Fc1ccc(cc1F)[*:1] C[C@@H](N(C)C(=O)CN1CCCC2(C1)OCCO2)[*:1]
CCCS(=O)(=O)/N=C(\[O-])c1ccc(-n2cnc3ccccc32)nc1 CCC[*:1] O=S(=O)(/N=C(\[O-])c1ccc(nc1)-n1cnc2ccccc21)[*:1]
CCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[*:1]
O=C1CCCC(=O)N1CCS(=O)(=O)[N-]c1ccc(Cl)c(N2CCCS2(=O)=O)c1 O=S1(=O)CCCN1[*:1] O=C1CCCC(=O)N1CCS(=O)(=O)[N-]c1ccc(Cl)c(c1)[*:1]
O=C1CCCC(=O)N1CCS(=O)(=O)[N-]c1ccc(Cl)c(N2CCCS2(=O)=O)c1 O=C1CCCC(=O)N1C[*:1] O=S(=O)(C[*:1])[N-]c1ccc(Cl)c(c1)N1CCCS1(=O)=O
O=C1CCCC(=O)N1CCS(=O)(=O)[N-]c1ccc(Cl)c(N2CCCS2(=O)=O)c1 O=C1CCCC(=O)N1[*:1] O=S(=O)(CC[*:1])[N-]c1ccc(Cl)c(c1)N1CCCS1(=O)=O
COc1ccc([C@H](NC(=O)C(=O)Nc2cccc(F)c2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](NC(=O)C(=O)Nc1cccc(F)c1)[*:1]
COc1ccc([C@H](NC(=O)C(=O)Nc2cccc(F)c2)C2CC2)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)[C@H](NC(=O)C(=O)N[*:1])C1CC1
COc1ccc([C@H](NC(=O)C(=O)Nc2cccc(F)c2)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(F)c1)C(=O)N[C@H](C1CC1)[*:1]
O=S1(=O)CC[C@H](NC(=S)N/N=C/c2ccc(-c3ccccc3Cl)o2)C1 Clc1ccccc1[*:1] O=S1(=O)CC[C@@H](C1)NC(=S)N/N=C/c1ccc(o1)[*:1]
O=C(CSC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)Nc1nnc(C2CC2)s1 C1CC1c1nnc(s1)[*:1] O=C(CSC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21)N[*:1]
O=C(CSC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1)Nc1nnc(C2CC2)s1 C1CC1[*:1] O=C(CSC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21)Nc1nnc(s1)[*:1]
C[C@@H](NC(=O)N(C)Cc1nccs1)[C@@H](C)N1CCOCC1 c1csc(n1)[*:1] C[C@@H](NC(=O)N(C)C[*:1])[C@@H](C)N1CCOCC1
C[C@@H](NC(=O)N(C)Cc1nccs1)[C@@H](C)N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)N(C)Cc1nccs1)[C@@H](C)[*:1]
C[C@@H](NC(=O)N(C)Cc1nccs1)[C@@H](C)N1CCOCC1 c1csc(C[*:1])n1 C[C@@H](NC(=O)N(C)[*:1])[C@@H](C)N1CCOCC1
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(C)(=O)=O)cc1)n2CCOC COC[*:1] CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(cc1)S(C)(=O)=O)n2C[*:1]
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(C)(=O)=O)cc1)n2CCOC CS(=O)(=O)[*:1] CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(cc1)[*:1])n2CCOC
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(C)(=O)=O)cc1)n2CCOC CCO[*:1] COCCn1/c(=N/C(=O)c2ccc(cc2)S(C)(=O)=O)sc2cc(ccc21)[*:1]
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(C)(=O)=O)cc1)n2CCOC COCC[*:1] CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(cc1)S(C)(=O)=O)n2[*:1]
O=C(c1noc2c1CCCC2)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(c1noc2CCCCc12)N1C[C@@H](O)C[C@H]1[*:1]
COC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 COC(=O)NN=C[*:1] O=[N+]([O-])c1ccc(OCc2ccc(F)cc2)c(c1)[*:1]
COC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COC(=O)N/N=C/c1cc(ccc1O[*:1])[N+](=O)[O-]
COC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 O=[N+]([O-])[*:1] COC(=O)N/N=C/c1cc(ccc1OCc1ccc(F)cc1)[*:1]
COC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)N/N=C/c1cc(ccc1OC[*:1])[N+](=O)[O-]
CCC[C@H]1CN(c2nc(CO)cs2)C[C@@H]1NC(=O)C1CCC1 C1CC(C1)[*:1] CCC[C@H]1CN(C[C@@H]1NC(=O)[*:1])c1nc(cs1)CO
CCC[C@H]1CN(c2nc(CO)cs2)C[C@@H]1NC(=O)C1CCC1 OCc1csc(n1)[*:1] CCC[C@H]1CN(C[C@@H]1NC(=O)C1CCC1)[*:1]
CCC[C@H]1CN(c2nc(CO)cs2)C[C@@H]1NC(=O)C1CCC1 CCC[*:1] O=C(N[C@H]1CN(C[C@@H]1[*:1])c1nc(cs1)CO)C1CCC1
CCC[C@H]1CN(c2nc(CO)cs2)C[C@@H]1NC(=O)C1CCC1 O=C(N[*:1])C1CCC1 CCC[C@H]1CN(C[C@H]1[*:1])c1nc(cs1)CO
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1cc(Cl)c2NC(=O)[C@@]3(c2c1)[C@@H]1C(=O)N(C(=O)[C@@H]1[C@@H]1CCCN13)[*:1]
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(C)C)C(=O)[O-] CC(C)C[*:1] CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)N[C@H](C(=O)[O-])[*:1]
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(C)C)C(=O)[O-] CC(C)[*:1] CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)N[C@@H](C[*:1])C(=O)[O-]
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(C)C)C(=O)[O-] CC(C)[*:1] CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)[*:1])C(=O)[O-]
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(C)C)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(C)C)[*:1]
C/C(=N/NC(=O)c1ccccc1)c1ccc(/N=C/c2ccccc2O)cc1 Oc1ccccc1C=N[*:1] C/C(=N/NC(=O)c1ccccc1)c1ccc(cc1)[*:1]
C/C(=N/NC(=O)c1ccccc1)c1ccc(/N=C/c2ccccc2O)cc1 Oc1ccccc1[*:1] C/C(=N/NC(=O)c1ccccc1)c1ccc(cc1)N=C[*:1]
C/C(=N/NC(=O)c1ccccc1)c1ccc(/N=C/c2ccccc2O)cc1 c1ccc(cc1)[*:1] C/C(=N/NC(=O)[*:1])c1ccc(cc1)/N=C/c1ccccc1O
CC(C)Oc1ccc(Br)cc1F CC(C)O[*:1] Fc1cc(Br)ccc1[*:1]
CC(C)Oc1ccc(Br)cc1F CC(C)[*:1] Fc1cc(Br)ccc1O[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCc2nc3ccccc3nc2C)cc1 Cc1nc2ccccc2nc1[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1C(=O)OC[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCc2nc3ccccc3nc2C)cc1 CC(=O)[*:1] Cc1nc2ccccc2nc1COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)[*:1]
CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCc2nc3ccccc3nc2C)cc1 CC(=O)c1ccc(cc1)[*:1] Cc1nc2ccccc2nc1COC(=O)[C@H]1CCCCN1S(=O)(=O)[*:1]
[NH3+]CC1(c2ccc(C(F)(F)F)cc2)CCOCC1 FC(F)(F)[*:1] [NH3+]CC1(CCOCC1)c1ccc(cc1)[*:1]
COc1cc(OC)cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 Clc1ccccc1[*:1] COc1cc(cc(c1)C(=O)NC[C@H]([NH+](C)C)[*:1])OC
NNC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12 Oc1ccc(cc1)[*:1] NNC(=O)c1cc(nc2ccccc12)[*:1]
NNC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12 NNC(=O)[*:1] Oc1ccc(cc1)-c1cc(c2ccccc2n1)[*:1]
CCCCN1Cc2ccccc2C(=O)N(C(C)(C)C)C1 CC(C)(C)[*:1] CCCCN1Cc2ccccc2C(=O)N(C1)[*:1]
CCCCN1Cc2ccccc2C(=O)N(C(C)(C)C)C1 CCCC[*:1] CC(C)(C)N1CN(Cc2ccccc2C1=O)[*:1]
CCCCN1Cc2ccccc2C(=O)N(C(C)(C)C)C1 CCC[*:1] CC(C)(C)N1CN(Cc2ccccc2C1=O)C[*:1]
CC(=O)Nc1cc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)ccc1F CC(=O)N[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)c1ccc(F)c(c1)[*:1]
CC[C@H](C#N)OC(=O)[C@H](C)Oc1cccc(C(C)C)c1 CC(C)[*:1] CC[C@H](C#N)OC(=O)[C@H](C)Oc1cccc(c1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2ccccc2COc2ccccc2)C1 COC(=O)[*:1] O=C(c1ccccc1COc1ccccc1)N1CC[C@@](F)(C1)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2ccccc2COc2ccccc2)C1 c1ccc(cc1)O[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1ccccc1C[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2ccccc2COc2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1ccccc1CO[*:1]
COC(=O)[C@]1(F)CCN(C(=O)c2ccccc2COc2ccccc2)C1 c1ccc(cc1)OC[*:1] COC(=O)[C@]1(F)CCN(C1)C(=O)c1ccccc1[*:1]
CCc1noc(CC)c1CNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 Cc1ccc(o1)[*:1] CCc1noc(CC)c1CNC(=O)N1CC[C@@H](C)C[C@H]1[*:1]
C[NH+](CCOc1ccccc1)CC(=O)NC1CCCCC1 c1ccc(cc1)[*:1] C[NH+](CCO[*:1])CC(=O)NC1CCCCC1
C[NH+](CCOc1ccccc1)CC(=O)NC1CCCCC1 c1ccc(cc1)O[*:1] C[NH+](CC[*:1])CC(=O)NC1CCCCC1
C[NH+](CCOc1ccccc1)CC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCOc1ccccc1)CC(=O)N[*:1]
CC(=O)C(C)(C)CN1CCn2c(nnc2C(F)(F)F)C1 CC(=O)[*:1] CC(C)(CN1CCn2c(C1)nnc2C(F)(F)F)[*:1]
CC(=O)C(C)(C)CN1CCn2c(nnc2C(F)(F)F)C1 CC(=O)C(C)(C)[*:1] FC(F)(F)c1nnc2CN(CCn21)C[*:1]
CC(=O)C(C)(C)CN1CCn2c(nnc2C(F)(F)F)C1 FC(F)(F)[*:1] CC(=O)C(C)(C)CN1CCn2c(C1)nnc2[*:1]
CCCNC(=O)CN(C)C(=O)CN1CCCc2cccc(F)c21 CCC[*:1] CN(CC(=O)N[*:1])C(=O)CN1CCCc2cccc(F)c21
CCCNC(=O)CN(C)C(=O)CN1CCCc2cccc(F)c21 CCCNC(=O)[*:1] CN(C[*:1])C(=O)CN1CCCc2cccc(F)c21
CCCNC(=O)CN(C)C(=O)CN1CCCc2cccc(F)c21 CCCNC(=O)C[*:1] CN(C(=O)CN1CCCc2cccc(F)c21)[*:1]
COc1ccc([C@@H](NC(=O)Nc2ccccc2C(C)C)C2CCOCC2)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)Nc1ccccc1[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)Nc2ccccc2C(C)C)C2CCOCC2)cc1 CC(C)c1ccccc1[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)Nc2ccccc2C(C)C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)Nc1ccccc1C(C)C)[*:1]
COc1ccc([C@@H](NC(=O)Nc2ccccc2C(C)C)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] CC(C)c1ccccc1NC(=O)N[C@@H](C1CCOCC1)[*:1]
C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cccs1 c1csc(c1)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)-c1ccccc1C#N)[*:1]
Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCSCC1 c1ccc(cc1)[*:1] Cc1nc(ccc1C(=O)N1CCCSCC1)[*:1]
CC1(C)CC[C@@H](CNC(=O)NNC(=O)c2ccc[nH]2)c2ccccc21 c1c[nH]c(c1)[*:1] CC1(C)CC[C@@H](CNC(=O)NNC(=O)[*:1])c2ccccc21
CCCOc1ccc(CN2CCC(=O)[C@H](C(=O)OC)C2)cc1 CCC[*:1] COC(=O)[C@@H]1CN(CCC1=O)Cc1ccc(cc1)O[*:1]
CCCOc1ccc(CN2CCC(=O)[C@H](C(=O)OC)C2)cc1 COC(=O)[*:1] CCCOc1ccc(cc1)CN1CCC(=O)[C@H](C1)[*:1]
CCCOc1ccc(CN2CCC(=O)[C@H](C(=O)OC)C2)cc1 CCCO[*:1] COC(=O)[C@@H]1CN(CCC1=O)Cc1ccc(cc1)[*:1]
COc1cc(F)cc(CNC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1 COc1cc(F)cc(c1)[*:1] Cc1ccc(cc1C(=O)NC(C)C)NC(=O)NC[*:1]
COc1cc(F)cc(CNC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1 CC(C)[*:1] COc1cc(F)cc(c1)CNC(=O)Nc1ccc(C)c(c1)C(=O)N[*:1]
COc1cc(F)cc(CNC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1 CC(C)NC(=O)[*:1] COc1cc(F)cc(c1)CNC(=O)Nc1ccc(C)c(c1)[*:1]
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1C CC[C@H](C)[*:1] Cc1ccccc1C(=O)N[C@@H](C)C(=O)N[*:1]
Cc1cccc(C)c1OCCC(=O)N1CCC(C(=O)N2CCCC2)CC1 Cc1cccc(C)c1[*:1] O=C(CCO[*:1])N1CCC(CC1)C(=O)N1CCCC1
Cc1cccc(C)c1OCCC(=O)N1CCC(C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] Cc1cccc(C)c1OCCC(=O)N1CCC(CC1)[*:1]
CCn1cc(NC(=O)C(=O)NC[C@H]2C[C@]23CCc2ccccc23)ccc1=O CCn1cc(ccc1=O)[*:1] O=C(NC[C@H]1C[C@]12CCc1ccccc12)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl CC[C@@H](C)[*:1] CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl CC[C@@H](C)NC(=O)[*:1] CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)[*:1]
C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)[*:1]
CN(C)NCc1cccc(OCC[NH+]2CCCCC2)c1 CN(C)N[*:1] c1cc(cc(c1)OCC[NH+]1CCCCC1)C[*:1]
CN(C)NCc1cccc(OCC[NH+]2CCCCC2)c1 CN(C)NC[*:1] c1cc(cc(c1)[*:1])OCC[NH+]1CCCCC1
Cc1ccn2c(CC[NH2+]C(C)(C)C)nnc2c1 CC(C)(C)[*:1] Cc1ccn2c(CC[NH2+][*:1])nnc2c1
NC(=O)c1cnc(N2CCC(NC(=O)NC3CCCCC3)CC2)c(Cl)c1 NC(=O)[*:1] O=C(NC1CCCCC1)NC1CCN(CC1)c1ncc(cc1Cl)[*:1]
NC(=O)c1cnc(N2CCC(NC(=O)NC3CCCCC3)CC2)c(Cl)c1 C1CCC(CC1)[*:1] NC(=O)c1cnc(c(Cl)c1)N1CCC(CC1)NC(=O)N[*:1]
Cc1nn2c(-c3ccco3)ccnc2c1-c1ccc(Cl)cc1 c1coc(c1)[*:1] Cc1nn2c(ccnc2c1-c1ccc(Cl)cc1)[*:1]
Cc1nn2c(-c3ccco3)ccnc2c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn2c(ccnc2c1[*:1])-c1ccco1
C[C@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1CC(=O)Nc1ccccc1F O=C(Nc1ccccc1F)[*:1] C[C@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1C[*:1]
C[C@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1CC(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@H](NC(=O)[C@H]1CCCO1)c1nc2ccccc2n1CC(=O)N[*:1]
Cc1nc2cc(NC(=O)CCCSCc3ccccc3)ccc2s1 c1ccc(cc1)CS[*:1] Cc1nc2cc(ccc2s1)NC(=O)CCC[*:1]
Cc1nc2cc(NC(=O)CCCSCc3ccccc3)ccc2s1 c1ccc(cc1)C[*:1] Cc1nc2cc(ccc2s1)NC(=O)CCCS[*:1]
Cc1nc2cc(NC(=O)CCCSCc3ccccc3)ccc2s1 c1ccc(cc1)[*:1] Cc1nc2cc(ccc2s1)NC(=O)CCCSC[*:1]
Cc1ccc(-c2noc(CCC[NH+]3CCCN(C(=O)c4ccccn4)CC3)n2)cc1F Cc1ccc(cc1F)[*:1] O=C(c1ccccn1)N1CCC[NH+](CCCc2nc(no2)[*:1])CC1
Cc1ccc(-c2noc(CCC[NH+]3CCCN(C(=O)c4ccccn4)CC3)n2)cc1F c1ccc(nc1)[*:1] Cc1ccc(cc1F)-c1noc(CCC[NH+]2CCCN(CC2)C(=O)[*:1])n1
CCC[NH2+][C@]1(CO)CCC[C@H](Sc2ccc(C)c(C)c2)C1 CCC[*:1] Cc1ccc(cc1C)S[C@H]1CCC[C@](CO)(C1)[NH2+][*:1]
COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)c2cnn(C)c2)nn1 Cn1cc(cn1)[*:1] COC(=O)c1cn(nn1)[C@@H]1CCCC[C@@H]1OC(=O)[*:1]
COC(=O)c1cn([C@@H]2CCCC[C@@H]2OC(=O)c2cnn(C)c2)nn1 COC(=O)[*:1] Cn1cc(cn1)C(=O)O[C@H]1CCCC[C@H]1n1cc(nn1)[*:1]
Cc1cc(C)n(-c2cncc(N3CCOC[C@@H]3CC(C)C)n2)n1 Cc1cc(C)n(n1)[*:1] CC(C)C[C@H]1COCCN1c1cncc(n1)[*:1]
Cc1cc(C)n(-c2cncc(N3CCOC[C@@H]3CC(C)C)n2)n1 CC(C)C[*:1] Cc1cc(C)n(n1)-c1cncc(n1)N1CCOC[C@H]1[*:1]
Cc1cc(C)n(-c2cncc(N3CCOC[C@@H]3CC(C)C)n2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)N1CCOC[C@@H]1C[*:1]
CCN(C(=O)NCc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1ccc(F)cc1 C[C@H](c1ccc(F)cc1)[*:1] CCN(C(=O)NCc1ccc(cc1)C(=O)N(C)C)[*:1]
CCN(C(=O)NCc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)NCc1ccc(cc1)C(=O)N(C)C)[C@H](C)[*:1]
CCN(C(=O)NCc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1ccc(F)cc1 CN(C)C(=O)[*:1] CCN(C(=O)NCc1ccc(cc1)[*:1])[C@H](C)c1ccc(F)cc1
C[C@H](CC(=O)OCC(=O)N1CCNC(=O)C1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](CC(=O)OCC(=O)N1CCNC(=O)C1)[*:1]
O=C(Oc1ccc(F)cc1Cl)c1ccc(N2CCNC2=O)cc1 O=C1NCCN1[*:1] O=C(Oc1ccc(F)cc1Cl)c1ccc(cc1)[*:1]
O=C1c2ccccc2C(=O)N1CC#CCO OCC#CC[*:1] O=C1c2ccccc2C(=O)N1[*:1]
O=C1c2ccccc2C(=O)N1CC#CCO OCC#C[*:1] O=C1c2ccccc2C(=O)N1C[*:1]
COC(=O)c1ccc(NC(=O)N(C)Cc2nccn2C(F)F)cc1 FC(F)[*:1] COC(=O)c1ccc(cc1)NC(=O)N(C)Cc1nccn1[*:1]
COC(=O)c1ccc(NC(=O)N(C)Cc2nccn2C(F)F)cc1 FC(F)n1ccnc1[*:1] COC(=O)c1ccc(cc1)NC(=O)N(C)C[*:1]
COC(=O)c1ccc(NC(=O)N(C)Cc2nccn2C(F)F)cc1 COC(=O)[*:1] CN(Cc1nccn1C(F)F)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(CN2C(=O)[C@H](C)CN(C=O)c3ccccc32)c1 Cc1cccc(c1)[*:1] C[C@@H]1CN(C=O)c2ccccc2N(C[*:1])C1=O
COc1ccc(NS(=O)(=O)c2ccc(NC(=S)N3CCC4(CC3)OCCO4)cc2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N[*:1])c1ccc(cc1)NC(=S)N1CCC2(CC1)OCCO2
C[C@@]1(C(=O)NCCc2nnc(-c3ccccc3)o2)CCCc2ccccc21 c1ccc(cc1)[*:1] C[C@]1(CCCc2ccccc21)C(=O)NCCc1nnc(o1)[*:1]
COc1ccc(NC(=O)Cc2cccc(F)c2)cc1N1CCCCC1=O Fc1cccc(c1)[*:1] COc1ccc(cc1N1CCCCC1=O)NC(=O)C[*:1]
COc1ccc(NC(=O)Cc2cccc(F)c2)cc1N1CCCCC1=O Fc1cccc(c1)C[*:1] COc1ccc(cc1N1CCCCC1=O)NC(=O)[*:1]
COc1ccc(NC(=O)Cc2cccc(F)c2)cc1N1CCCCC1=O O=C1CCCCN1[*:1] COc1ccc(cc1[*:1])NC(=O)Cc1cccc(F)c1
C=CCn1c2cc(C)sc2c2cnn(CC(=O)N[C@@H]3CCCC[C@H]3C)c(=O)c21 C=CC[*:1] Cc1cc2c(s1)c1cnn(CC(=O)N[C@@H]3CCCC[C@H]3C)c(=O)c1n2[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)c2c(C)[nH]c3ccccc23)C1 CC(=O)N[*:1] Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H](C1)C[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)c2c(C)[nH]c3ccccc23)C1 CC(=O)NC[*:1] Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H](C1)[*:1]
CC(C)[NH2+]Cc1ccc(N(C)CCS(C)(=O)=O)[nH+]n1 CC(C)[NH2+]C[*:1] CN(CCS(C)(=O)=O)c1ccc(n[nH+]1)[*:1]
CC(C)[NH2+]Cc1ccc(N(C)CCS(C)(=O)=O)[nH+]n1 CC(C)[*:1] CN(CCS(C)(=O)=O)c1ccc(C[NH2+][*:1])n[nH+]1
CC(C)[NH2+]Cc1ccc(N(C)CCS(C)(=O)=O)[nH+]n1 CS(=O)(=O)CC[*:1] CC(C)[NH2+]Cc1ccc([nH+]n1)N(C)[*:1]
CC(C)[NH2+]Cc1ccc(N(C)CCS(C)(=O)=O)[nH+]n1 CS(=O)(=O)C[*:1] CC(C)[NH2+]Cc1ccc([nH+]n1)N(C)C[*:1]
CC(C)[NH2+]Cc1ccc(N(C)CCS(C)(=O)=O)[nH+]n1 CS(=O)(=O)[*:1] CC(C)[NH2+]Cc1ccc([nH+]n1)N(C)CC[*:1]
CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)Cc1ccc(F)c(F)c1 CC(C)O[*:1] CN(Cc1ccc(F)c(F)c1)C(=O)Nc1cc(C#N)ccc1[*:1]
CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)Cc1ccc(F)c(F)c1 CC(C)[*:1] CN(Cc1ccc(F)c(F)c1)C(=O)Nc1cc(C#N)ccc1O[*:1]
CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)Cc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)C[*:1]
CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 CC[C@H](C)[C@@H](O)C[*:1] O=C(N[C@@H](c1cc(F)ccc1F)C1CC1)N[*:1]
CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 C1CC1[*:1] CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H](c1cc(F)ccc1F)[*:1]
CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 CC[C@H](C)[C@@H](O)[*:1] O=C(NC[*:1])N[C@@H](c1cc(F)ccc1F)C1CC1
CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 CC[C@H](C)[*:1] O=C(NC[C@H](O)[*:1])N[C@@H](c1cc(F)ccc1F)C1CC1
CC(C)(C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)(C(=O)N1CCC[C@H](CN2CCOCC2)C1)[*:1]
CC(C)(C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1cccc(C#N)c1 C1CN(CCO1)C[*:1] CC(C)(C(=O)N1CCC[C@H](C1)[*:1])c1cccc(C#N)c1
CC(C)(C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1cccc(C#N)c1 C1CN(CCO1)[*:1] CC(C)(C(=O)N1CCC[C@@H](C1)C[*:1])c1cccc(C#N)c1
CCCC(=O)Nc1cc2c(cc1Sc1ccccc1Cl)n(C)c(=O)n2C CCC[*:1] Cn1c(=O)n(C)c2cc(Sc3ccccc3Cl)c(cc21)NC(=O)[*:1]
CCCC(=O)Nc1cc2c(cc1Sc1ccccc1Cl)n(C)c(=O)n2C CCCC(=O)N[*:1] Cn1c(=O)n(C)c2cc(c(cc21)Sc1ccccc1Cl)[*:1]
CCCC(=O)Nc1cc2c(cc1Sc1ccccc1Cl)n(C)c(=O)n2C Clc1ccccc1S[*:1] CCCC(=O)Nc1cc2c(cc1[*:1])n(C)c(=O)n2C
CCCC(=O)Nc1cc2c(cc1Sc1ccccc1Cl)n(C)c(=O)n2C Clc1ccccc1[*:1] CCCC(=O)Nc1cc2c(cc1S[*:1])n(C)c(=O)n2C
CCc1ccccc1NC(=O)C[S@@](=O)Cc1ccc(C(=O)N(C)C)cc1 CCc1ccccc1[*:1] CN(C)C(=O)c1ccc(cc1)C[S@](=O)CC(=O)N[*:1]
CCc1ccccc1NC(=O)C[S@@](=O)Cc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CCc1ccccc1NC(=O)C[S@@](=O)Cc1ccc(cc1)[*:1]
C[C@@H]1CCc2c(sc(NC(=O)CCOC[C@H]3CCCO3)c2C#N)C1 C1CO[C@H](C1)CO[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CC[*:1])c2C#N
C[C@@H]1CCc2c(sc(NC(=O)CCOC[C@H]3CCCO3)c2C#N)C1 C1CO[C@H](C1)COC[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)C[*:1])c2C#N
C[C@@H]1CCc2c(sc(NC(=O)CCOC[C@H]3CCCO3)c2C#N)C1 C1CO[C@H](C1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CCOC[*:1])c2C#N
C[C@@H]1CCc2c(sc(NC(=O)CCOC[C@H]3CCCO3)c2C#N)C1 C1CO[C@H](C1)C[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CCO[*:1])c2C#N
O=C(c1ccncc1F)N1CCCc2cc(Br)cc(F)c21 Fc1cnccc1[*:1] O=C(N1CCCc2cc(Br)cc(F)c21)[*:1]
[NH3+]CCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O [NH3+]CC[*:1] O=C(C[*:1])N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O
[NH3+]CCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O [NH3+]CCC[*:1] O=C(N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)[*:1]
CC(C)COc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 Fc1ccc(cc1)[*:1] CC(C)COc1ccc(cc1)C(=O)N(C[*:1])c1ccccn1
CC(C)COc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 CC(C)C[*:1] O=C(c1ccc(cc1)O[*:1])N(Cc1ccc(F)cc1)c1ccccn1
CC(C)COc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 CC(C)CO[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccc(F)cc1)c1ccccn1
CC(C)COc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)OC[*:1])N(Cc1ccc(F)cc1)c1ccccn1
CC(C)COc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 Fc1ccc(cc1)C[*:1] CC(C)COc1ccc(cc1)C(=O)N(c1ccccn1)[*:1]
CC(C)COc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 c1ccc(nc1)[*:1] CC(C)COc1ccc(cc1)C(=O)N(Cc1ccc(F)cc1)[*:1]
CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCOC COCC[*:1] CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2C[*:1]
CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCOC COCCC[*:1] CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2[*:1]
CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCOC COC[*:1] CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CC[*:1]
Cc1cccc2c1CCN2C(=O)C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)[*:1] Cc1cccc2c1CCN2C(=O)C(=O)NCc1ccnc(c1)O[*:1]
Cc1cccc2c1CCN2C(=O)C(=O)NCc1ccnc(OC2CCC2)c1 C1CC(C1)O[*:1] Cc1cccc2c1CCN2C(=O)C(=O)NCc1ccnc(c1)[*:1]
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cc1ccccc1[*:1]
O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)NC1CC1 c1ccc(cc1)[*:1] O=C(CCCc1nnc(s1)C(=O)N[*:1])NC1CC1
O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)NC1CC1 C1CC1[*:1] O=C(CCCc1nnc(s1)C(=O)Nc1ccccc1)N[*:1]
O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)NC1CC1 O=C(NC1CC1)[*:1] O=C(Nc1ccccc1)c1nnc(CCC[*:1])s1
O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Nc1ccccc1)c1nnc(CC[*:1])s1
Cc1cc(C)n(Cc2cccc(NC(=O)Nc3cnn(C(C)(C)C)c3)c2)n1 Cc1cc(C)n(C[*:1])n1 CC(C)(C)n1cc(cn1)NC(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)n(Cc2cccc(NC(=O)Nc3cnn(C(C)(C)C)c3)c2)n1 CC(C)(C)[*:1] Cc1cc(C)n(Cc2cccc(c2)NC(=O)Nc2cnn(c2)[*:1])n1
Cc1cc(C)n(Cc2cccc(NC(=O)Nc3cnn(C(C)(C)C)c3)c2)n1 Cc1cc(C)n(n1)[*:1] CC(C)(C)n1cc(cn1)NC(=O)Nc1cccc(c1)C[*:1]
Cc1cc(C)n(Cc2cccc(NC(=O)Nc3cnn(C(C)(C)C)c3)c2)n1 CC(C)(C)n1cc(cn1)[*:1] Cc1cc(C)n(Cc2cccc(c2)NC(=O)N[*:1])n1
CCC(CC)NC(=O)[C@H](C)Nc1ccc(C)cc1 CCC(CC)[*:1] Cc1ccc(cc1)N[C@@H](C)C(=O)N[*:1]
C[C@H](CCc1ccco1)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] C[C@H](CCc1ccco1)[NH2+]C1CCN(CC1)C(=O)[*:1]
C[C@H](CCc1ccco1)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 c1coc(c1)CC[*:1] C[C@H]([NH2+]C1CCN(CC1)C(=O)c1ccoc1)[*:1]
C[C@H](CCc1ccco1)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 c1coc(c1)C[*:1] C[C@H](C[*:1])[NH2+]C1CCN(CC1)C(=O)c1ccoc1
C[C@H](CCc1ccco1)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 c1coc(c1)[*:1] C[C@H](CC[*:1])[NH2+]C1CCN(CC1)C(=O)c1ccoc1
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCOC)c(=O)c32)cc1OC COC[*:1] CCOc1ccc(cc1OC)[C@@H]1C(C#N)=C(N)Oc2cc(C)n(C[*:1])c(=O)c21
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCOC)c(=O)c32)cc1OC COCC[*:1] CCOc1ccc(cc1OC)[C@@H]1C(C#N)=C(N)Oc2cc(C)n(c(=O)c21)[*:1]
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCOC)c(=O)c32)cc1OC CCO[*:1] COCCn1c(C)cc2OC(N)=C(C#N)[C@@H](c3ccc(c(c3)OC)[*:1])c2c1=O
CNC(=O)c1cc(Cl)ccc1NC(=O)c1cc2ccc(C)cc2[nH]1 CNC(=O)[*:1] Cc1ccc2cc([nH]c2c1)C(=O)Nc1ccc(Cl)cc1[*:1]
COc1ccccc1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O COc1ccccc1[*:1] O=C(C[*:1])NN1C(=O)NC2(CCCCC2)C1=O
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)n1 Clc1ccc(cc1Cl)[*:1] Cc1cc(C)nc(n1)[N-]S(=O)(=O)c1ccc(cc1)N/C=C/C(=O)[*:1]
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N/C=C/C(=O)c3ccc(Cl)c(Cl)c3)cc2)n1 O=C(c1ccc(Cl)c(Cl)c1)[*:1] Cc1cc(C)nc(n1)[N-]S(=O)(=O)c1ccc(cc1)NC=C[*:1]
COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1OC O=C(N[*:1])c1ccco1 COc1ccc(cc1OC)C(=O)Nc1ccc(c(Cl)c1)[*:1]
COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)C(=O)Nc1ccc(NC(=O)[*:1])c(Cl)c1
O=C(Cc1ccccc1OCc1ccccc1)N1CCn2c(cccc2=O)C1 c1ccc(cc1)[*:1] O=C(Cc1ccccc1OC[*:1])N1CCn2c(cccc2=O)C1
O=C(Cc1ccccc1OCc1ccccc1)N1CCn2c(cccc2=O)C1 c1ccc(cc1)C[*:1] O=C(Cc1ccccc1O[*:1])N1CCn2c(cccc2=O)C1
O=C(Cc1ccccc1OCc1ccccc1)N1CCn2c(cccc2=O)C1 c1ccc(cc1)CO[*:1] O=C(Cc1ccccc1[*:1])N1CCn2c(cccc2=O)C1
CC[C@@H]([NH3+])Cc1cc(F)c(O[C@@H](C)C(=O)NC)c(F)c1 CNC(=O)[C@H](C)[*:1] CC[C@@H]([NH3+])Cc1cc(F)c(O[*:1])c(F)c1
CC[C@@H]([NH3+])Cc1cc(F)c(O[C@@H](C)C(=O)NC)c(F)c1 CNC(=O)[*:1] CC[C@@H]([NH3+])Cc1cc(F)c(O[C@@H](C)[*:1])c(F)c1
CCCCC(=O)Nc1ccc(/N=C/c2cccc(C)c2O)cc1OC Cc1cccc(c1O)[*:1] CCCCC(=O)Nc1ccc(cc1OC)N=C[*:1]
CCCCC(=O)Nc1ccc(/N=C/c2cccc(C)c2O)cc1OC CCCCC(=O)N[*:1] COc1cc(ccc1[*:1])/N=C/c1cccc(C)c1O
CCCCC(=O)Nc1ccc(/N=C/c2cccc(C)c2O)cc1OC CCCC[*:1] COc1cc(ccc1NC(=O)[*:1])/N=C/c1cccc(C)c1O
CCCCC(=O)Nc1ccc(/N=C/c2cccc(C)c2O)cc1OC CCC[*:1] COc1cc(ccc1NC(=O)C[*:1])/N=C/c1cccc(C)c1O
CCCCCC(=O)N[C@H](C)C(=O)[O-] O=C([O-])[*:1] CCCCCC(=O)N[C@H](C)[*:1]
CCCCCC(=O)N[C@H](C)C(=O)[O-] CCC[*:1] C[C@@H](NC(=O)CC[*:1])C(=O)[O-]
CCCCCC(=O)N[C@H](C)C(=O)[O-] CCCC[*:1] C[C@@H](NC(=O)C[*:1])C(=O)[O-]
CCOc1ccc2cc(S(=O)(=O)NCc3ccccn3)ccc2c1 c1ccc(C[*:1])nc1 CCOc1ccc2cc(ccc2c1)S(=O)(=O)N[*:1]
CCOc1ccc2cc(S(=O)(=O)NCc3ccccn3)ccc2c1 c1ccc(nc1)[*:1] CCOc1ccc2cc(ccc2c1)S(=O)(=O)NC[*:1]
CCOc1ccc2cc(S(=O)(=O)NCc3ccccn3)ccc2c1 CCO[*:1] O=S(=O)(NCc1ccccn1)c1ccc2cc(ccc2c1)[*:1]
C[C@@H](c1cccnc1)N1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 C[C@@H](c1cccnc1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)[*:1])C(C)(C)C[NH+](C)C
C[C@@H](c1cccnc1)N1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 c1cncc(c1)[*:1] C[C@@H](N1CCN(CC1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[*:1]
CCOc1ccc(Br)cc1NC(=O)[C@@H](C)NC(=O)C1CCC1 C1CC(C1)[*:1] CCOc1ccc(Br)cc1NC(=O)[C@@H](C)NC(=O)[*:1]
CCOc1ccc(Br)cc1NC(=O)[C@@H](C)NC(=O)C1CCC1 CCO[*:1] C[C@@H](NC(=O)C1CCC1)C(=O)Nc1cc(Br)ccc1[*:1]
CCOc1ccc(Br)cc1NC(=O)[C@@H](C)NC(=O)C1CCC1 O=C(N[*:1])C1CCC1 CCOc1ccc(Br)cc1NC(=O)[C@@H](C)[*:1]
O=C(CN1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CN1CC[NH+](CC1)Cc1nc(no1)-c1ccsc1)Nc1ccc(Cl)c(c1)[*:1]
O=C(CN1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 c1cc(cs1)[*:1] O=C(CN1CC[NH+](CC1)Cc1nc(no1)[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
O=C(CN1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 c1cc(cs1)-c1noc(n1)[*:1] O=C(CN1CC[NH+](CC1)C[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
COc1ccc(OC(C)C)c(NC(=O)N2CCC[C@H](C)[C@H]2CO)c1 CC(C)O[*:1] COc1ccc(c(c1)NC(=O)N1CCC[C@H](C)[C@H]1CO)[*:1]
COc1ccc(OC(C)C)c(NC(=O)N2CCC[C@H](C)[C@H]2CO)c1 CC(C)[*:1] COc1ccc(O[*:1])c(c1)NC(=O)N1CCC[C@H](C)[C@H]1CO
CCN(CCC#N)S(=O)(=O)c1c(Cl)cccc1Cl N#CCC[*:1] CCN(S(=O)(=O)c1c(Cl)cccc1Cl)[*:1]
CCN(CCC#N)S(=O)(=O)c1c(Cl)cccc1Cl N#CC[*:1] CCN(C[*:1])S(=O)(=O)c1c(Cl)cccc1Cl
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N[C@H](C[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 CC(=O)N[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])[C@@H](Cc1c[nH]c2ccccc12)[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1]
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)[C@H]1CN(C/C(C)=C/c2ccccc2)C[C@@H](C)O1 COC(=O)[*:1] C/C(=C\c1ccccc1)CN1C[C@@H](C)O[C@H](C1)[*:1]
COC(=O)[C@H]1CN(C/C(C)=C/c2ccccc2)C[C@@H](C)O1 c1ccc(cc1)[*:1] COC(=O)[C@H]1CN(CC(C)=C[*:1])C[C@@H](C)O1
COc1ccc(OC)c(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NC2CCCC2)C3)c1 O=C(NC1CCCC1)[*:1] COc1ccc(OC)c(c1)NC(=O)c1ncn2C[C@@](C)(N(C(=O)c12)C1CC1)[*:1]
COc1ccc(OC)c(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NC2CCCC2)C3)c1 C1CC1[*:1] COc1ccc(OC)c(c1)NC(=O)c1ncn2C[C@@](C)(C(=O)NC3CCCC3)N(C(=O)c12)[*:1]
COc1ccc(OC)c(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NC2CCCC2)C3)c1 COc1ccc(OC)c(c1)[*:1] C[C@]1(Cn2cnc(C(=O)N[*:1])c2C(=O)N1C1CC1)C(=O)NC1CCCC1
COc1ccc(OC)c(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NC2CCCC2)C3)c1 C1CCC(C1)[*:1] COc1ccc(OC)c(c1)NC(=O)c1ncn2C[C@@](C)(C(=O)N[*:1])N(C(=O)c12)C1CC1
COCC[C@H](NC(=O)C=C1CCSCC1)c1ccc(Cl)cc1 COCC[*:1] O=C(C=C1CCSCC1)N[C@H](c1ccc(Cl)cc1)[*:1]
COCC[C@H](NC(=O)C=C1CCSCC1)c1ccc(Cl)cc1 COC[*:1] O=C(C=C1CCSCC1)N[C@@H](C[*:1])c1ccc(Cl)cc1
COCC[C@H](NC(=O)C=C1CCSCC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCC[C@H](NC(=O)C=C1CCSCC1)[*:1]
CC(=O)NCCNC(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O CC(=O)N[*:1] Cc1c(CC(=O)NCC[*:1])c2C(=O)CCCc2n1Cc1ccccc1
CC(=O)NCCNC(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O c1ccc(cc1)C[*:1] CC(=O)NCCNC(=O)Cc1c2C(=O)CCCc2n(c1C)[*:1]
CC(=O)NCCNC(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O c1ccc(cc1)[*:1] CC(=O)NCCNC(=O)Cc1c2C(=O)CCCc2n(C[*:1])c1C
CC(=O)NCCNC(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O CC(=O)NC[*:1] Cc1c(CC(=O)NC[*:1])c2C(=O)CCCc2n1Cc1ccccc1
CC(=O)NCCNC(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O CC(=O)NCCNC(=O)[*:1] Cc1c(C[*:1])c2C(=O)CCCc2n1Cc1ccccc1
CC(=O)NCCNC(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O CC(=O)NCC[*:1] Cc1c(CC(=O)N[*:1])c2C(=O)CCCc2n1Cc1ccccc1
C=CCn1cnc2c(oc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c1=O C=CC[*:1] CC(C)c1nc2oc3c(=O)n(cnc3c2c2CC(C)(C)OCc12)[*:1]
C=CCn1cnc2c(oc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c1=O CC(C)[*:1] C=CCn1cnc2c(oc3nc(c4COC(C)(C)Cc4c32)[*:1])c1=O
CCN(CCCNC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O CCN(C[*:1])S(C)(=O)=O O=C(NCC[*:1])N1CCN(CC1)c1ccccc1
CCN(CCCNC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O c1ccc(cc1)[*:1] CCN(CCCNC(=O)N1CCN(CC1)[*:1])S(C)(=O)=O
CCN(CCCNC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O CCN(S(C)(=O)=O)[*:1] O=C(NCCC[*:1])N1CCN(CC1)c1ccccc1
CSCC(=O)NNC(=O)c1cccc(-n2cccc2)c1 CSC[*:1] O=C(NNC(=O)[*:1])c1cccc(c1)-n1cccc1
CSCC(=O)NNC(=O)c1cccc(-n2cccc2)c1 c1ccn(c1)[*:1] CSCC(=O)NNC(=O)c1cccc(c1)[*:1]
CNC(=O)c1cc(NC(=O)c2ccc(CSc3ncn[nH]3)cc2)ccc1F c1n[nH]c(n1)S[*:1] CNC(=O)c1cc(ccc1F)NC(=O)c1ccc(cc1)C[*:1]
CNC(=O)c1cc(NC(=O)c2ccc(CSc3ncn[nH]3)cc2)ccc1F CNC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1ccc(cc1)CSc1ncn[nH]1
CNC(=O)c1cc(NC(=O)c2ccc(CSc3ncn[nH]3)cc2)ccc1F c1n[nH]c(n1)[*:1] CNC(=O)c1cc(ccc1F)NC(=O)c1ccc(cc1)CS[*:1]
CNC(=O)c1cc(NC(=O)c2ccc(CSc3ncn[nH]3)cc2)ccc1F c1n[nH]c(n1)SC[*:1] CNC(=O)c1cc(ccc1F)NC(=O)c1ccc(cc1)[*:1]
CC(=O)O[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C CC(=O)O[*:1] C[C@]12CC[C@@H]3[C@@H](C[C@H](O)[C@@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2[*:1]
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2F)NC(=O)N1 Fc1ccc(cc1)[*:1] CC1NC(=O)N[C@@H](C=1C(=O)N[*:1])c1ccccc1F
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2F)NC(=O)N1 Fc1ccccc1[*:1] CC1NC(=O)N[C@H](C=1C(=O)Nc1ccc(F)cc1)[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)CCc2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1[*:1] Cc1nnnn1-c1ccc(F)c(c1)NC(=O)CC[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)CCc2ccc3c(c2)OCO3)c1 Cc1nnnn1[*:1] O=C(CCc1ccc2OCOc2c1)Nc1cc(ccc1F)[*:1]
O=C(OCCNc1ccc(-c2ccccc2)n[nH+]1)C1CC1 c1ccc(cc1)[*:1] O=C(OCCNc1ccc(n[nH+]1)[*:1])C1CC1
O=C(OCCNc1ccc(-c2ccccc2)n[nH+]1)C1CC1 O=C(OC[*:1])C1CC1 c1ccc(cc1)-c1ccc(NC[*:1])[nH+]n1
O=C(OCCNc1ccc(-c2ccccc2)n[nH+]1)C1CC1 O=C(O[*:1])C1CC1 c1ccc(cc1)-c1ccc(NCC[*:1])[nH+]n1
O=C(OCCNc1ccc(-c2ccccc2)n[nH+]1)C1CC1 C1CC1[*:1] O=C(OCCNc1ccc(n[nH+]1)-c1ccccc1)[*:1]
C[C@@H]1C[C@@H]1COC(=O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C[C@@H]1C[C@@H]1COC(=O)c1ccc(cc1)[*:1]
NC(=O)c1cccc(C[S@@](=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] NC(=O)c1cccc(c1)C[S@@](=O)[*:1]
NC(=O)c1cccc(C[S@@](=O)C2CCCCC2)c1 NC(=O)[*:1] O=[S@](Cc1cccc(c1)[*:1])C1CCCCC1
CC[C@H](C)[C@]1(C(C)C)CCC[NH2+]1 CC(C)[*:1] CC[C@H](C)[C@@]1(CCC[NH2+]1)[*:1]
CC[C@H](C)[C@]1(C(C)C)CCC[NH2+]1 CC[C@H](C)[*:1] CC(C)[C@@]1(CCC[NH2+]1)[*:1]
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(F)c(COC)c1 COC[*:1] CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(F)c(c1)[*:1]
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(F)c(COC)c1 CCN(CC)C(=O)[*:1] COCc1cc(ccc1F)CNC(=O)N1CCC[C@H]1[*:1]
COc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)c1 COc1cccc(c1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)c1cc([nH]n1)-c1ccccn1
COc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)c1 COc1cccc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)C(=O)c1cc([nH]n1)-c1ccccn1
COc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)c1 c1ccc(nc1)[*:1] COc1cccc(c1)CNC(=O)[C@H]1CCCN(C1)C(=O)c1cc([nH]n1)[*:1]
Cc1ccc(NCCOc2ccccc2C)c(C(=O)NN)c1 Cc1ccccc1[*:1] Cc1ccc(NCCO[*:1])c(c1)C(=O)NN
Cc1ccc(NCCOc2ccccc2C)c(C(=O)NN)c1 NNC(=O)[*:1] Cc1ccc(NCCOc2ccccc2C)c(c1)[*:1]
CCCCOc1ccc([C@@H]2NC(=O)c3oc4ccccc4c(=O)c32)cc1 CCC[*:1] O=C1N[C@@H](c2ccc(cc2)OC[*:1])c2c1oc1ccccc1c2=O
CCCCOc1ccc([C@@H]2NC(=O)c3oc4ccccc4c(=O)c32)cc1 CCCCO[*:1] O=C1N[C@@H](c2ccc(cc2)[*:1])c2c1oc1ccccc1c2=O
CCCCOc1ccc([C@@H]2NC(=O)c3oc4ccccc4c(=O)c32)cc1 CCCC[*:1] O=C1N[C@@H](c2ccc(cc2)O[*:1])c2c1oc1ccccc1c2=O
COc1cc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)c([O-])c([N+](=O)[O-])c1 Brc1ccc(cc1)C[*:1] COc1cc(/C=N/NC(=O)c2ccn(n2)[*:1])c([O-])c(c1)[N+](=O)[O-]
COc1cc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)c([O-])c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1cc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)c([O-])c(c1)[*:1]
COc1cc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)c([O-])c([N+](=O)[O-])c1 Brc1ccc(cc1)[*:1] COc1cc(/C=N/NC(=O)c2ccn(C[*:1])n2)c([O-])c(c1)[N+](=O)[O-]
Cc1ccc(CNC(=O)c2c(C)cc(C)[nH]c2=O)c(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(CNC(=O)c2c(C)cc(C)[nH]c2=O)c(c1)O[*:1]
Cc1ccc(CNC(=O)c2c(C)cc(C)[nH]c2=O)c(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1ccc(CNC(=O)c2c(C)cc(C)[nH]c2=O)c(c1)[*:1]
O=C(c1cc(COc2ccccc2)[nH]n1)N1CCCCCCC1 c1ccc(cc1)O[*:1] O=C(c1cc(C[*:1])[nH]n1)N1CCCCCCC1
O=C(c1cc(COc2ccccc2)[nH]n1)N1CCCCCCC1 c1ccc(cc1)[*:1] O=C(c1cc(CO[*:1])[nH]n1)N1CCCCCCC1
COC(=O)c1ccc(OC(C)C)c(N)c1 COC(=O)[*:1] CC(C)Oc1ccc(cc1N)[*:1]
COC(=O)c1ccc(OC(C)C)c(N)c1 CC(C)O[*:1] COC(=O)c1ccc(c(N)c1)[*:1]
COC(=O)c1ccc(OC(C)C)c(N)c1 CC(C)[*:1] COC(=O)c1ccc(O[*:1])c(N)c1
CC(C)[C@H](CNC(=O)N(C)C1CCOCC1)[NH+]1CCCCCC1 C1CC(CCO1)[*:1] CC(C)[C@H](CNC(=O)N(C)[*:1])[NH+]1CCCCCC1
CC(C)[C@H](CNC(=O)N(C)C1CCOCC1)[NH+]1CCCCCC1 CC(C)[*:1] CN(C(=O)NC[C@H]([NH+]1CCCCCC1)[*:1])C1CCOCC1
O=C1CC[C@@H](C(=O)NCCN2CCN(C(=O)c3ccsc3)CC2)N1 c1cc(cs1)[*:1] O=C1CC[C@H](N1)C(=O)NCCN1CCN(CC1)C(=O)[*:1]
CC[C@@H](C)[C@@H](NC(=O)Cn1nnnc1C(C)C)c1nc2ccccc2[nH]1 CC(C)c1nnnn1[*:1] CC[C@@H](C)[C@@H](NC(=O)C[*:1])c1nc2ccccc2[nH]1
CC[C@@H](C)[C@@H](NC(=O)Cn1nnnc1C(C)C)c1nc2ccccc2[nH]1 CC[C@@H](C)[*:1] CC(C)c1nnnn1CC(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
CC[C@@H](C)[C@@H](NC(=O)Cn1nnnc1C(C)C)c1nc2ccccc2[nH]1 CC(C)[*:1] CC[C@@H](C)[C@@H](NC(=O)Cn1nnnc1[*:1])c1nc2ccccc2[nH]1
CC(=O)c1ccccc1OCC[NH+]1CCC(C(N)=O)CC1 CC(=O)[*:1] NC(=O)C1CC[NH+](CCOc2ccccc2[*:1])CC1
CC(=O)c1ccccc1OCC[NH+]1CCC(C(N)=O)CC1 NC(=O)[*:1] CC(=O)c1ccccc1OCC[NH+]1CCC(CC1)[*:1]
COc1ccc(O[C@H](C)CNC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)cc1 COc1ccc(cc1)[*:1] C[C@H]1c2ccccc2O[C@H]1C(=O)NC[C@@H](C)O[*:1]
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(F)cc2)cc1 Clc1ccccc1[*:1] COc1ccc(cc1)CN1C(=O)C[C@H](S/C1=N\c1ccc(F)cc1)C(=O)N[*:1]
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(F)cc2)cc1 COc1ccc(cc1)C[*:1] O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(/C(=N/c2ccc(F)cc2)S1)[*:1]
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1ccccc1Cl
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(C[*:1])/C(=N/c2ccc(F)cc2)S1
COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(F)cc2)cc1 O=C(Nc1ccccc1Cl)[*:1] COc1ccc(cc1)CN1C(=O)C[C@@H](S/C1=N\c1ccc(F)cc1)[*:1]
COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC(F)F FC(F)[*:1] COc1cc(ccc1O[*:1])C(=O)N[C@@H](C)c1ccc(F)cc1
COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC(F)F FC(F)O[*:1] COc1cc(ccc1[*:1])C(=O)N[C@@H](C)c1ccc(F)cc1
COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC(F)F Fc1ccc(cc1)[*:1] COc1cc(ccc1OC(F)F)C(=O)N[C@@H](C)[*:1]
Cc1ccc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1nc(no1)[*:1])Nc1cccnc1
Cc1ccc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)-c1noc(CCC(=O)N[*:1])n1
CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)c1[*:1]
Cc1ccccc1C[NH+]1CCC(NC(=O)N(CCC(C)C)C2CC2)CC1 Cc1ccccc1C[*:1] CC(C)CCN(C(=O)NC1CC[NH+](CC1)[*:1])C1CC1
Cc1ccccc1C[NH+]1CCC(NC(=O)N(CCC(C)C)C2CC2)CC1 CC(C)[*:1] Cc1ccccc1C[NH+]1CCC(CC1)NC(=O)N(CC[*:1])C1CC1
Cc1ccccc1C[NH+]1CCC(NC(=O)N(CCC(C)C)C2CC2)CC1 CC(C)CC[*:1] Cc1ccccc1C[NH+]1CCC(CC1)NC(=O)N(C1CC1)[*:1]
Cc1ccccc1C[NH+]1CCC(NC(=O)N(CCC(C)C)C2CC2)CC1 C1CC1[*:1] Cc1ccccc1C[NH+]1CCC(CC1)NC(=O)N(CCC(C)C)[*:1]
Cc1ccccc1C[NH+]1CCC(NC(=O)N(CCC(C)C)C2CC2)CC1 Cc1ccccc1[*:1] CC(C)CCN(C(=O)NC1CC[NH+](CC1)C[*:1])C1CC1
Cc1ccccc1C[NH+]1CCC(NC(=O)N(CCC(C)C)C2CC2)CC1 CC(C)C[*:1] Cc1ccccc1C[NH+]1CCC(CC1)NC(=O)N(C[*:1])C1CC1
COC(=O)c1c[nH]c([C@@]2(C)CCCO2)n1 COC(=O)[*:1] C[C@@]1(CCCO1)c1nc(c[nH]1)[*:1]
CN(Cc1ccccn1)C(=O)[C@@H]1CCCN1C(=O)c1ccccn1 c1ccc(C[*:1])nc1 CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccn1)[*:1]
CN(Cc1ccccn1)C(=O)[C@@H]1CCCN1C(=O)c1ccccn1 c1ccc(nc1)[*:1] CN(Cc1ccccn1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
CN(Cc1ccccn1)C(=O)[C@@H]1CCCN1C(=O)c1ccccn1 c1ccc(nc1)[*:1] CN(C[*:1])C(=O)[C@@H]1CCCN1C(=O)c1ccccn1
CCn1c(-c2ccccc2)c(C(=O)[O-])c2ccc(N)cc21 O=C([O-])[*:1] CCn1c(-c2ccccc2)c(c2ccc(N)cc21)[*:1]
CCn1c(-c2ccccc2)c(C(=O)[O-])c2ccc(N)cc21 c1ccc(cc1)[*:1] CCn1c(c(C(=O)[O-])c2ccc(N)cc21)[*:1]
O=C(NCCOc1cccnc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 c1cncc(c1)O[*:1] O=C(NCC[*:1])[C@@H]1C[C@@H]1c1cccc(Cl)c1
O=C(NCCOc1cccnc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 c1cncc(c1)[*:1] O=C(NCCO[*:1])[C@@H]1C[C@@H]1c1cccc(Cl)c1
O=C(NCCOc1cccnc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(NCCOc1cccnc1)[C@@H]1C[C@H]1[*:1]
COc1ccc(CNC(=O)c2nc(-c3ccco3)sc2C)cn1 c1coc(c1)[*:1] COc1ccc(cn1)CNC(=O)c1nc(sc1C)[*:1]
CC1(C)OC(=O)C(/C=N/[C@@H](C(=O)[O-])c2ccccc2)C(=O)O1 O=C([O-])[*:1] CC1(C)OC(=O)C(/C=N/[C@@H](c2ccccc2)[*:1])C(=O)O1
CC1(C)OC(=O)C(/C=N/[C@@H](C(=O)[O-])c2ccccc2)C(=O)O1 c1ccc(cc1)[*:1] CC1(C)OC(=O)C(/C=N/[C@@H](C(=O)[O-])[*:1])C(=O)O1
O=C(Nc1cnc(-c2ccccc2)s1)N1CCC[C@H](Cn2ccnn2)C1 c1cn(nn1)[*:1] O=C(Nc1cnc(s1)-c1ccccc1)N1CCC[C@@H](C1)C[*:1]
O=C(Nc1cnc(-c2ccccc2)s1)N1CCC[C@H](Cn2ccnn2)C1 c1ccc(cc1)[*:1] O=C(Nc1cnc(s1)[*:1])N1CCC[C@@H](C1)Cn1ccnn1
O=C(Nc1cnc(-c2ccccc2)s1)N1CCC[C@H](Cn2ccnn2)C1 c1cn(C[*:1])nn1 O=C(Nc1cnc(s1)-c1ccccc1)N1CCC[C@H](C1)[*:1]
O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1ccccc1[N+](=O)[O-] O=C(c1ccccc1)[*:1] O=C(Nc1c(oc2ccccc12)[*:1])c1ccccc1[N+](=O)[O-]
O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1c(oc2ccccc12)C(=O)c1ccccc1)c1ccccc1[*:1]
O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] O=C(c1ccccc1)c1oc2ccccc2c1NC(=O)[*:1]
O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1ccccc1[N+](=O)[O-] c1ccc(cc1)[*:1] O=C(Nc1c(oc2ccccc12)C(=O)[*:1])c1ccccc1[N+](=O)[O-]
CC(C)c1csc(NC(=O)[C@@H]2Cc3ccccc3S2)n1 CC(C)[*:1] O=C(Nc1nc(cs1)[*:1])[C@@H]1Cc2ccccc2S1
CS(=O)(=O)Cc1ccccc1NCc1cc(Br)ccc1F CS(=O)(=O)C[*:1] Fc1ccc(Br)cc1CNc1ccccc1[*:1]
CS(=O)(=O)Cc1ccccc1NCc1cc(Br)ccc1F CS(=O)(=O)[*:1] Fc1ccc(Br)cc1CNc1ccccc1C[*:1]
CC[C@H](NC(=O)CCn1cnc2sc(C)c(C)c2c1=O)C(=O)OC CC[C@H](C(=O)OC)[*:1] Cc1sc2ncn(CCC(=O)N[*:1])c(=O)c2c1C
CC[C@H](NC(=O)CCn1cnc2sc(C)c(C)c2c1=O)C(=O)OC COC(=O)[*:1] CC[C@H](NC(=O)CCn1cnc2sc(C)c(C)c2c1=O)[*:1]
CSc1nc(-c2cc3ccccc3oc2=O)cn1-c1ccccc1 c1ccc(cc1)[*:1] CSc1nc(cn1[*:1])-c1cc2ccccc2oc1=O
CCc1nncn1CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 N#Cc1ccc(c(F)c1)[*:1] CCc1nncn1CCNC(=O)N1CCN(CC1)[*:1]
CCc1nncn1CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 CCc1nncn1C[*:1] N#Cc1ccc(c(F)c1)N1CCN(CC1)C(=O)NC[*:1]
CCc1nncn1CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 CCc1nncn1CC[*:1] N#Cc1ccc(c(F)c1)N1CCN(CC1)C(=O)N[*:1]
CCc1nncn1CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 CCc1nncn1[*:1] N#Cc1ccc(c(F)c1)N1CCN(CC1)C(=O)NCC[*:1]
O=[N+]([O-])c1ccc(NC[C@H]2CN3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
O=[N+]([O-])c1ccc(NC[C@H]2CN3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(NC[C@H]2CN3CCCC[C@@H]3CO2)c(c1)[*:1]
C[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@@H](NC(=O)c1c[nH]c2cccc(F)c12)c1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(C)c2ccccc2C1 CC[C@H](C)NC(=O)[*:1] C[C@@H](NC(=O)N1CCN(C)c2ccccc2C1)[*:1]
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(C)c2ccccc2C1 CC[C@H](C)[*:1] C[C@@H](NC(=O)N1CCN(C)c2ccccc2C1)C(=O)N[*:1]
CC(C)c1cc(C=O)cc(C(C)C)c1O CC(C)[*:1] CC(C)c1cc(C=O)cc(c1O)[*:1]
O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(cc1)O[*:1]
O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)O[*:1] O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(cc1)[*:1]
Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1C Clc1ccccc1[*:1] Cc1cc(NC(=O)CN2C(=O)N[C@](C)(C2=O)[*:1])c(cc1C)[N+](=O)[O-]
Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1C O=[N+]([O-])[*:1] Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(C2=O)c2ccccc2Cl)c(cc1C)[*:1]
COC(=O)c1c(C)nn2c3c(cnc12)C(=O)CC(C)(C)C3 COC(=O)[*:1] Cc1nn2c3CC(C)(C)CC(=O)c3cnc2c1[*:1]
CN(Cc1[nH+]ccn1C)C(=O)C1CC[NH+](C2CCCCC2)CC1 C1CCC(CC1)[*:1] CN(Cc1[nH+]ccn1C)C(=O)C1CC[NH+](CC1)[*:1]
CC(C)Cc1cc(C(=O)N2CCC(Nc3ncccn3)CC2)on1 CC(C)C[*:1] O=C(c1cc(no1)[*:1])N1CCC(CC1)Nc1ncccn1
CC(C)Cc1cc(C(=O)N2CCC(Nc3ncccn3)CC2)on1 c1cnc(nc1)[*:1] CC(C)Cc1cc(on1)C(=O)N1CCC(CC1)N[*:1]
CC(C)Cc1cc(C(=O)N2CCC(Nc3ncccn3)CC2)on1 CC(C)[*:1] O=C(c1cc(C[*:1])no1)N1CCC(CC1)Nc1ncccn1
CC(C)Cc1cc(C(=O)N2CCC(Nc3ncccn3)CC2)on1 c1cnc(nc1)N[*:1] CC(C)Cc1cc(on1)C(=O)N1CCC(CC1)[*:1]
c1ccc(-c2nnn(Cc3cccc(-c4nnn[n-]4)c3)n2)cc1 c1ccc(cc1)[*:1] c1cc(cc(c1)-c1nnn[n-]1)Cn1nnc(n1)[*:1]
CN1C(=O)C[C@H](C(=O)NCc2cccs2)[C@H]1c1ccc(F)cc1 c1csc(c1)[*:1] CN1C(=O)C[C@H](C(=O)NC[*:1])[C@H]1c1ccc(F)cc1
CN1C(=O)C[C@H](C(=O)NCc2cccs2)[C@H]1c1ccc(F)cc1 c1csc(c1)C[*:1] CN1C(=O)C[C@H](C(=O)N[*:1])[C@H]1c1ccc(F)cc1
CN1C(=O)C[C@H](C(=O)NCc2cccs2)[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1C(=O)C[C@H](C(=O)NCc2cccs2)[C@@H]1[*:1]
CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1 CC(=O)c1cccc(c1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)NCc1cccs1
CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1 c1csc(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1cccc(c1)S(=O)(=O)NC[*:1]
CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1 c1csc(c1)C[*:1] CC(=O)c1cccc(c1)NC(=O)c1cccc(c1)S(=O)(=O)N[*:1]
CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])c1cccc(c1)S(=O)(=O)NCc1cccs1
C=CCNC(=O)[C@@H](C)Nc1cccc(NC(=O)C2CC2)c1 C=CCNC(=O)[*:1] C[C@@H](Nc1cccc(c1)NC(=O)C1CC1)[*:1]
C=CCNC(=O)[C@@H](C)Nc1cccc(NC(=O)C2CC2)c1 C=CC[*:1] C[C@@H](Nc1cccc(c1)NC(=O)C1CC1)C(=O)N[*:1]
C=CCNC(=O)[C@@H](C)Nc1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 C=CCNC(=O)[C@@H](C)Nc1cccc(c1)[*:1]
C=CCNC(=O)[C@@H](C)Nc1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] C=CCNC(=O)[C@@H](C)Nc1cccc(c1)NC(=O)[*:1]
C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H](C)O1 N#Cc1ccccc1[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1ccc(cc1)O[*:1]
Cc1cccc(-n2nnnc2SCC(=O)NC2(C#N)CCCC2)c1C Cc1cccc(c1C)[*:1] N#CC1(CCCC1)NC(=O)CSc1nnnn1[*:1]
Cc1cccc(-n2nnnc2SCC(=O)NC2(C#N)CCCC2)c1C N#CC1(CCCC1)[*:1] Cc1cccc(c1C)-n1nnnc1SCC(=O)N[*:1]
CCc1ncc(CN(C)C(=O)Nc2ccc([N-]S(C)(=O)=O)cc2)s1 CCc1ncc(C[*:1])s1 CN(C(=O)Nc1ccc(cc1)[N-]S(C)(=O)=O)[*:1]
CCc1ncc(CN(C)C(=O)Nc2ccc([N-]S(C)(=O)=O)cc2)s1 CCc1ncc(s1)[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)[N-]S(C)(=O)=O
C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CC[C@@H](C)[C@H](O)C1 Brc1ccc(cc1)[*:1] C[C@@H](CC[*:1])NC(=O)N1CC[C@@H](C)[C@H](O)C1
COC(=O)c1ccc(F)c(NCc2cc(C(N)=O)cs2)c1 COC(=O)[*:1] NC(=O)c1csc(c1)CNc1cc(ccc1F)[*:1]
COC(=O)c1ccc(F)c(NCc2cc(C(N)=O)cs2)c1 NC(=O)[*:1] COC(=O)c1ccc(F)c(c1)NCc1cc(cs1)[*:1]
Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 Cc1ccc(Cl)cc1[*:1] Cc1ccc(cc1)[C@@H]1Nn2c(C)nnc2S[C@H]1C(=O)N[*:1]
Cc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1[*:1]
O=C(NCc1ccncc1)N(Cc1ccc(O)cc1)CC1CC1 C1CC1C[*:1] O=C(NCc1ccncc1)N(Cc1ccc(O)cc1)[*:1]
O=C(NCc1ccncc1)N(Cc1ccc(O)cc1)CC1CC1 c1cc(ccn1)[*:1] O=C(NC[*:1])N(Cc1ccc(O)cc1)CC1CC1
O=C(NCc1ccncc1)N(Cc1ccc(O)cc1)CC1CC1 c1cc(ccn1)C[*:1] O=C(N[*:1])N(Cc1ccc(O)cc1)CC1CC1
O=C(NCc1ccncc1)N(Cc1ccc(O)cc1)CC1CC1 C1CC1[*:1] O=C(NCc1ccncc1)N(Cc1ccc(O)cc1)C[*:1]
O=C(NCc1ccncc1)N(Cc1ccc(O)cc1)CC1CC1 Oc1ccc(cc1)[*:1] O=C(NCc1ccncc1)N(CC1CC1)C[*:1]
O=C1C[C@@](CC(=O)N2CCCC[C@H]2c2nccs2)(c2ccccc2)C(=O)N1CCc1ccccn1 c1csc(n1)[*:1] O=C1C[C@](CC(=O)N2CCCC[C@@H]2[*:1])(C(=O)N1CCc1ccccn1)c1ccccc1
O=C1C[C@@](CC(=O)N2CCCC[C@H]2c2nccs2)(c2ccccc2)C(=O)N1CCc1ccccn1 c1ccc(CC[*:1])nc1 O=C(C[C@]1(CC(=O)N(C1=O)[*:1])c1ccccc1)N1CCCC[C@H]1c1nccs1
O=C1C[C@@](CC(=O)N2CCCC[C@H]2c2nccs2)(c2ccccc2)C(=O)N1CCc1ccccn1 c1ccc(cc1)[*:1] O=C1C[C@@](CC(=O)N2CCCC[C@H]2c2nccs2)(C(=O)N1CCc1ccccn1)[*:1]
O=C1C[C@@](CC(=O)N2CCCC[C@H]2c2nccs2)(c2ccccc2)C(=O)N1CCc1ccccn1 c1ccc(nc1)[*:1] O=C1C[C@](CC(=O)N2CCCC[C@H]2c2nccs2)(C(=O)N1CC[*:1])c1ccccc1
O=C1C[C@@](CC(=O)N2CCCC[C@H]2c2nccs2)(c2ccccc2)C(=O)N1CCc1ccccn1 c1ccc(C[*:1])nc1 O=C1C[C@](CC(=O)N2CCCC[C@H]2c2nccs2)(C(=O)N1C[*:1])c1ccccc1
CS(=O)(=O)NCC(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1 CS(=O)(=O)N[*:1] O=C(C[*:1])N1CCN(CC1)c1ncc2COCCc2n1
CS(=O)(=O)NCC(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1 CS(=O)(=O)NC[*:1] O=C(N1CCN(CC1)c1ncc2COCCc2n1)[*:1]
COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)c2cccs2)CC1=O c1csc(c1)[*:1] COc1ccc(C)cc1N1C[C@H](CC1=O)C(=O)NNC(=O)[*:1]
O=C(NCCc1cccc2ccccc12)c1cc(CN2CCOCC2)on1 C1CN(CCO1)[*:1] O=C(NCCc1cccc2ccccc12)c1cc(C[*:1])on1
O=C(NCCc1cccc2ccccc12)c1cc(CN2CCOCC2)on1 C1CN(CCO1)C[*:1] O=C(NCCc1cccc2ccccc12)c1cc(on1)[*:1]
COc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1O Fc1ccccc1[*:1] COc1ccc(cc1O)[C@H]1CC(=O)Nc2c(csc21)[*:1]
CC(C)c1cccc2sc(N3CCN(C(=O)[C@@H]4CCCCN4S(C)(=O)=O)CC3)nc12 CC(C)[*:1] CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2c(cccc2s1)[*:1]
CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)CC1 Clc1ccc(cc1)C[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)CC1 Clc1ccc(cc1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)C[*:1]
COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC2CCCC2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)O[C@@H](C)C(=O)NC2CCCC2)c(C)c1[*:1]
COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC2CCCC2)c1C O=C(NC1CCCC1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC2CCCC2)c1C C1CCC(C1)[*:1] COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[*:1])c1C
CCCCn1c(=O)[nH]c(=O)c2c1nc(CSC1=N[C@H](C)CS1)n2C CCCC[*:1] C[C@@H]1CSC(=N1)SCc1nc2c(c(=O)[nH]c(=O)n2[*:1])n1C
CCCCn1c(=O)[nH]c(=O)c2c1nc(CSC1=N[C@H](C)CS1)n2C CCC[*:1] C[C@@H]1CSC(=N1)SCc1nc2c(c(=O)[nH]c(=O)n2C[*:1])n1C
CNC(=O)c1ccc(N[C@@H](C)c2sc(C)nc2C)nn1 CNC(=O)[*:1] Cc1nc(C)c(s1)[C@H](C)Nc1ccc(nn1)[*:1]
O=[S@@]1N/C(=C\c2cccc(C(F)(F)F)c2)NO1 FC(F)(F)[*:1] O=[S@@]1N/C(=C\c2cccc(c2)[*:1])NO1
CCCc1nn(C)c2c1nc([C@H](C)Cl)n2[C@H](C)CC C[C@H](Cl)[*:1] CCCc1nn(C)c2c1nc(n2[C@H](C)CC)[*:1]
CCCc1nn(C)c2c1nc([C@H](C)Cl)n2[C@H](C)CC CC[C@@H](C)[*:1] CCCc1nn(C)c2c1nc([C@H](C)Cl)n2[*:1]
CCCc1nn(C)c2c1nc([C@H](C)Cl)n2[C@H](C)CC CCC[*:1] CC[C@@H](C)n1c(nc2c(nn(C)c21)[*:1])[C@H](C)Cl
C[C@H](c1ccccn1)N(C(=O)c1cc(=O)c2ccccc2o1)C1CC1 C1CC1[*:1] C[C@H](c1ccccn1)N(C(=O)c1cc(=O)c2ccccc2o1)[*:1]
C[C@H](c1ccccn1)N(C(=O)c1cc(=O)c2ccccc2o1)C1CC1 c1ccc(nc1)[*:1] C[C@H](N(C(=O)c1cc(=O)c2ccccc2o1)C1CC1)[*:1]
C[C@H](c1ccccn1)N(C(=O)c1cc(=O)c2ccccc2o1)C1CC1 C[C@H](c1ccccn1)[*:1] O=C(c1cc(=O)c2ccccc2o1)N(C1CC1)[*:1]
CCc1cccc2c(/C=C(\C#N)C(=O)OC(C)C)c[nH]c12 CC(C)OC(=O)[*:1] CCc1cccc2c(C=C(C#N)[*:1])c[nH]c12
CCc1cccc2c(/C=C(\C#N)C(=O)OC(C)C)c[nH]c12 CC(C)[*:1] CCc1cccc2c(/C=C(\C#N)C(=O)O[*:1])c[nH]c12
C[C@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] C[C@H](NC(=O)COc1ccc2oc3CCCCc3c2c1)[*:1]
C[C@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] C[C@H](NC(=O)COc1ccc2oc3CCCCc3c2c1)c1ccc(cc1)[*:1]
CCNC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)nc2ccccc12 CCNC(=O)[*:1] O=C1NC(=O)c2cc(ccc21)S(=O)(=O)[N-]c1cc(c2ccccc2n1)[*:1]
CNC(=O)c1cccc(OC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)c1 CNC(=O)[*:1] C[C@H]1C[C@@H]1C(=O)Nc1ccc(cc1)C(=O)Oc1cccc(c1)[*:1]
Cc1ccc(CNC(=O)c2nc(N3CCCCC3)c3oc4ccccc4c3n2)o1 Cc1ccc(o1)[*:1] O=C(NC[*:1])c1nc(c2oc3ccccc3c2n1)N1CCCCC1
Cc1ccc(CNC(=O)c2nc(N3CCCCC3)c3oc4ccccc4c3n2)o1 C1CCN(CC1)[*:1] Cc1ccc(CNC(=O)c2nc(c3oc4ccccc4c3n2)[*:1])o1
Cc1ccc(CNC(=O)c2nc(N3CCCCC3)c3oc4ccccc4c3n2)o1 Cc1ccc(C[*:1])o1 O=C(N[*:1])c1nc(c2oc3ccccc3c2n1)N1CCCCC1
Fc1ccccc1N1CCN(c2ncc(Cl)cc2F)CC1 Fc1ccccc1[*:1] Fc1cc(Cl)cnc1N1CCN(CC1)[*:1]
O=C([O-])c1ccccc1Nc1nc2ccc([N+](=O)[O-])cc2s1 O=[N+]([O-])[*:1] O=C([O-])c1ccccc1Nc1nc2ccc(cc2s1)[*:1]
O=C([O-])c1ccccc1Nc1nc2ccc([N+](=O)[O-])cc2s1 O=C([O-])[*:1] O=[N+]([O-])c1ccc2nc(Nc3ccccc3[*:1])sc2c1
COc1ccc([C@@H]2[C@H](C(=O)/N=c3/[nH]c4ccccc4s3)c3ccccc3C(=O)N2C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)c2ccccc2[C@@H](C(=O)/N=c2/[nH]c3ccccc3s2)[C@H]1[*:1]
COc1ccccc1NC(=O)C(=O)NN/C(C)=C\C(=O)Nc1cc(Cl)cc(Cl)c1 COc1ccccc1[*:1] C/C(=C/C(=O)Nc1cc(Cl)cc(Cl)c1)NNC(=O)C(=O)N[*:1]
COc1ccccc1NC(=O)C(=O)NN/C(C)=C\C(=O)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] COc1ccccc1NC(=O)C(=O)NN/C(C)=C\C(=O)N[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@H](C)C[NH+]1CCCCC1 CC(C)S(=O)(=O)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1[*:1]
CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@H](C)C[NH+]1CCCCC1 CC(C)[*:1] C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1S(=O)(=O)[*:1]
O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 Fc1ccc(cc1)[*:1] O=C(Cc1ccc2OCOc2c1)N1CCC[C@H](C1)N1CCN(CC1)[*:1]
O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 c1cc2OCOc2cc1[*:1] O=C(C[*:1])N1CCC[C@H](C1)N1CCN(CC1)c1ccc(F)cc1
O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 c1cc2OCOc2cc1C[*:1] O=C(N1CCC[C@H](C1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
O=C(CCc1nc2ccccc2[nH]1)Nc1ncc(Cc2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] O=C(CCc1nc2ccccc2[nH]1)Nc1ncc(C[*:1])s1
O=C(CCc1nc2ccccc2[nH]1)Nc1ncc(Cc2ccc(Cl)cc2)s1 c1ccc2[nH]c(nc2c1)[*:1] O=C(CC[*:1])Nc1ncc(Cc2ccc(Cl)cc2)s1
O=C(CCc1nc2ccccc2[nH]1)Nc1ncc(Cc2ccc(Cl)cc2)s1 Clc1ccc(cc1)C[*:1] O=C(CCc1nc2ccccc2[nH]1)Nc1ncc(s1)[*:1]
O=S(=O)(C1CC1)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=S(=O)(C1CC1)N1CCN(CC1)C[*:1]
O=S(=O)(C1CC1)N1CCN(Cc2ccccc2)CC1 C1CC1[*:1] O=S(=O)(N1CCN(CC1)Cc1ccccc1)[*:1]
COc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(C(C)=O)cc4)CC3)ncn2)cc1 COc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)c1cc(ncn1)[*:1]
COc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(C(C)=O)cc4)CC3)ncn2)cc1 CC(=O)c1ccc(cc1)[*:1] COc1ccc(cc1)-c1cc(ncn1)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(C(C)=O)cc4)CC3)ncn2)cc1 CC(=O)[*:1] COc1ccc(cc1)-c1cc(ncn1)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
Nc1cn[nH]c1NC(=O)CC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Nc1cn[nH]c1NC(=O)CC[*:1]
c1ccc(-n2cnnc2SCC2CCOCC2)cc1 c1ccc(cc1)[*:1] c1nnc(SCC2CCOCC2)n1[*:1]
c1ccc(-n2cnnc2SCC2CCOCC2)cc1 C1CC(CCO1)[*:1] c1ccc(cc1)-n1cnnc1SC[*:1]
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1ccn2ccsc12 O=C(NC1CC1)[*:1] O=C(N[C@@H](Cc1ccccc1)[*:1])c1ccn2ccsc12
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1ccn2ccsc12 C1CC1[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N[*:1])c1ccn2ccsc12
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1ccn2ccsc12 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)NC1CC1)c1ccn2ccsc12
O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1ccn2ccsc12 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)NC1CC1)[*:1])c1ccn2ccsc12
C=CCN(C(=O)[C@@H]1CCCO1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 CS(=O)(=O)[*:1] C=CCN(C(=O)[C@@H]1CCCO1)c1nc(cs1)-c1ccc(cc1)[*:1]
C=CCN(C(=O)[C@@H]1CCCO1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 C=CC[*:1] CS(=O)(=O)c1ccc(cc1)-c1csc(n1)N(C(=O)[C@@H]1CCCO1)[*:1]
CCCCN[C@H](NC(=O)c1cccc(C)c1)C(Cl)(Cl)Cl CCC[*:1] Cc1cccc(c1)C(=O)N[C@@H](NC[*:1])C(Cl)(Cl)Cl
CCCCN[C@H](NC(=O)c1cccc(C)c1)C(Cl)(Cl)Cl ClC(Cl)(Cl)[*:1] CCCCN[C@H](NC(=O)c1cccc(C)c1)[*:1]
CCCCN[C@H](NC(=O)c1cccc(C)c1)C(Cl)(Cl)Cl CCCCN[*:1] Cc1cccc(c1)C(=O)N[C@H](C(Cl)(Cl)Cl)[*:1]
CCCCN[C@H](NC(=O)c1cccc(C)c1)C(Cl)(Cl)Cl CCCC[*:1] Cc1cccc(c1)C(=O)N[C@@H](N[*:1])C(Cl)(Cl)Cl
Cc1ccnn1CCC[NH+]1CCC2(C=Cc3ccccc32)CC1 Cc1ccnn1C[*:1] C1=CC2(CC[NH+](CC2)CC[*:1])c2ccccc21
Cc1ccnn1CCC[NH+]1CCC2(C=Cc3ccccc32)CC1 Cc1ccnn1[*:1] C1=CC2(CC[NH+](CCC[*:1])CC2)c2ccccc21
Cc1ccccc1NC(=O)CSc1nc(C(=O)[O-])c2ccccc2n1 Cc1ccccc1[*:1] O=C(CSc1nc(C(=O)[O-])c2ccccc2n1)N[*:1]
Cc1ccccc1NC(=O)CSc1nc(C(=O)[O-])c2ccccc2n1 O=C([O-])[*:1] Cc1ccccc1NC(=O)CSc1nc(c2ccccc2n1)[*:1]
CCN[C@]1(C(=O)OCC)CCC[C@H]([NH+]2CCCC2)C1 CCOC(=O)[*:1] CCN[C@@]1(CCC[C@@H](C1)[NH+]1CCCC1)[*:1]
CCN[C@]1(C(=O)OCC)CCC[C@H]([NH+]2CCCC2)C1 CCN[*:1] CCOC(=O)[C@@]1(CCC[C@@H](C1)[NH+]1CCCC1)[*:1]
CCNC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)N[C@@H](C)C(c1ccccc1)[*:1]
CCNC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 CCNC(=O)N[*:1] C[C@@H](C(c1ccccc1)c1ccccc1)[*:1]
CN(C1CCN(C(=O)[C@@H]2COc3ccc(F)cc3C2)CC1)S(C)(=O)=O CN(S(C)(=O)=O)[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N1CCC(CC1)[*:1]
Cc1c(F)cccc1NC(=O)N(C)C1CCN(c2ccc(F)cc2)CC1 Cc1c(F)cccc1[*:1] CN(C(=O)N[*:1])C1CCN(CC1)c1ccc(F)cc1
Cc1c(F)cccc1NC(=O)N(C)C1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)N(C)C1CCN(CC1)[*:1]
O=S1(=O)N=C(NCc2cccnc2OC2CCCC2)c2ccccc21 C1CCC(C1)[*:1] O=S1(=O)N=C(NCc2cccnc2O[*:1])c2ccccc21
O=S1(=O)N=C(NCc2cccnc2OC2CCCC2)c2ccccc21 C1CCC(C1)O[*:1] O=S1(=O)N=C(NCc2cccnc2[*:1])c2ccccc21
COc1cccc(C(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)c1 COc1cccc(c1)[*:1] O=C(N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12)[*:1]
COc1cc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)cc(OC)c1OC Fc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)C(=O)NCc1cc(on1)[*:1]
Cn1ncnc1CCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl Cn1ncnc1[*:1] O=C(NCC[*:1])c1[nH]c2ccc(Cl)cc2c1Cl
Cn1ncnc1CCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl Cn1ncnc1C[*:1] O=C(NC[*:1])c1[nH]c2ccc(Cl)cc2c1Cl
COc1cc(Cl)cc(/C=C/C(=O)[O-])c1OC O=C([O-])C=C[*:1] COc1cc(Cl)cc(c1OC)[*:1]
COc1cc(Cl)cc(/C=C/C(=O)[O-])c1OC O=C([O-])[*:1] COc1cc(Cl)cc(C=C[*:1])c1OC
C[C@@H](C(=O)[O-])N(C)c1ccc(C(N)=O)nn1 NC(=O)[*:1] C[C@@H](C(=O)[O-])N(C)c1ccc(nn1)[*:1]
C[C@@H](C(=O)[O-])N(C)c1ccc(C(N)=O)nn1 O=C([O-])[*:1] C[C@@H](N(C)c1ccc(nn1)C(N)=O)[*:1]
C/C=C/C=C/C(=O)N[C@@H](C)CC(=O)[O-] O=C([O-])C[*:1] C/C=C/C=C/C(=O)N[C@@H](C)[*:1]
C/C=C/C=C/C(=O)N[C@@H](C)CC(=O)[O-] O=C([O-])[*:1] C/C=C/C=C/C(=O)N[C@@H](C)C[*:1]
C/C=C/C=C/C(=O)N[C@@H](C)CC(=O)[O-] CC=C[*:1] C[C@@H](CC(=O)[O-])NC(=O)C=C[*:1]
C[C@H]1CN(c2ccc(C(=O)NCCCn3cccn3)cn2)C[C@@H](C)O1 c1cnn(c1)C[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(cn1)C(=O)NCC[*:1]
C[C@H]1CN(c2ccc(C(=O)NCCCn3cccn3)cn2)C[C@@H](C)O1 c1cnn(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(cn1)C(=O)NCCC[*:1]
C[C@H]1CN(c2ccc(C(=O)NCCCn3cccn3)cn2)C[C@@H](C)O1 c1cnn(c1)CC[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(cn1)C(=O)NC[*:1]
C[C@H]1CN(c2ccc(C(=O)NCCCn3cccn3)cn2)C[C@@H](C)O1 c1cnn(c1)CCC[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(cn1)C(=O)N[*:1]
COc1ccc(NC(=O)[C@@H]2CCCO2)c(NC(=O)C(C)C)c1 CC(C)C(=O)N[*:1] COc1ccc(NC(=O)[C@@H]2CCCO2)c(c1)[*:1]
COc1ccc(NC(=O)[C@@H]2CCCO2)c(NC(=O)C(C)C)c1 C1CO[C@@H](C1)[*:1] COc1ccc(NC(=O)[*:1])c(c1)NC(=O)C(C)C
COc1ccc(NC(=O)[C@@H]2CCCO2)c(NC(=O)C(C)C)c1 CC(C)[*:1] COc1ccc(NC(=O)[C@@H]2CCCO2)c(c1)NC(=O)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 c1cn(cn1)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 Clc1ccc(cc1)O[*:1] CC(C)(C(=O)N1CCN(CC1)c1ccc(nn1)-n1ccnc1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)N1CCN(CC1)c1ccc(nn1)-n1ccnc1
C[C@H]1C[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)O1 FC(F)(F)[*:1] C[C@H]1C[C@@H](C(=O)O1)N1CCN(CC1)c1cccc(c1)[*:1]
N/C(=N/O)[C@H]1CN(c2nccc(C(F)(F)F)n2)CCO1 FC(F)(F)[*:1] N/C(=N/O)[C@H]1CN(CCO1)c1nccc(n1)[*:1]
N/C(=N/O)[C@H]1CN(c2nccc(C(F)(F)F)n2)CCO1 N/C(=N/O)[*:1] FC(F)(F)c1ccnc(n1)N1CCO[C@H](C1)[*:1]
C[C@@H]1CN(Cc2noc(C3CC3)n2)C(C)(C)CO1 C1CC1[*:1] C[C@@H]1CN(Cc2noc(n2)[*:1])C(C)(C)CO1
CCOC(=O)C[C@@H](C)CNC(=O)[C@H]1CCCS1 CCOC(=O)[*:1] C[C@@H](CNC(=O)[C@H]1CCCS1)C[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)[C@H]1CCCS1 C1CS[C@H](C1)[*:1] CCOC(=O)C[C@@H](C)CNC(=O)[*:1]
CCN(c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1)C(C)C CCN(C(C)C)[*:1] CN(C(=O)c1ccc(cc1)[*:1])[C@H]1CCCC[C@@H]1S(C)(=O)=O
CCN(c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1)C(C)C CC(C)[*:1] CCN(c1ccc(cc1)C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)[*:1]
CCN(c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1)C(C)C CS(=O)(=O)[*:1] CCN(c1ccc(cc1)C(=O)N(C)[C@H]1CCCC[C@H]1[*:1])C(C)C
C[C@@H]1[NH+]=c2ccc(Cl)cc2=C1CCNC(=S)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H]1[NH+]=c2ccc(Cl)cc2=C1CCNC(=S)N[*:1]
CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4cc(C)ccc4C)CC3)c(C)o2)cc1 Cc1ccc(C)c(c1)[*:1] CNC(=O)c1ccc(cc1)-c1nc(CN2CCN(CC2)C(=O)N[*:1])c(C)o1
CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4cc(C)ccc4C)CC3)c(C)o2)cc1 CNC(=O)c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)N1CCN(CC1)Cc1nc(oc1C)[*:1]
CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4cc(C)ccc4C)CC3)c(C)o2)cc1 CNC(=O)[*:1] Cc1ccc(C)c(c1)NC(=O)N1CCN(CC1)Cc1nc(oc1C)-c1ccc(cc1)[*:1]
Cc1cccc(OC(=O)c2cc(C3CC3)[nH]n2)c1 C1CC1[*:1] Cc1cccc(c1)OC(=O)c1cc([nH]n1)[*:1]
CC(=O)N[C@@H](C)C(=O)OC1CCCCC1 CC(=O)N[*:1] C[C@@H](C(=O)OC1CCCCC1)[*:1]
CC(C)c1ccc(OCC(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)cc1 c1cn(cn1)[*:1] CC(C)c1ccc(cc1)OCC(=O)N1CCN(CC1)c1ccc(nn1)[*:1]
CC(C)c1ccc(OCC(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)cc1 CC(C)[*:1] O=C(COc1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(nn1)-n1ccnc1
CC(C)c1ccc(OCC(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccc(nn1)-n1ccnc1
CC(C)c1ccc(OCC(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)cc1 CC(C)c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(nn1)-n1ccnc1
COCCn1nc(C)c(NC(=O)c2cn(C)nc2C)c1C COCC[*:1] Cc1nn(C)cc1C(=O)Nc1c(C)nn(c1C)[*:1]
COCCn1nc(C)c(NC(=O)c2cn(C)nc2C)c1C Cc1nn(C)cc1[*:1] COCCn1nc(C)c(NC(=O)[*:1])c1C
COCCn1nc(C)c(NC(=O)c2cn(C)nc2C)c1C COC[*:1] Cc1nn(C)cc1C(=O)Nc1c(C)nn(C[*:1])c1C
C[N+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1 OCC[*:1] C[N+]1(Cc2sc3ccc(Cl)cc3c2C1)[*:1]
CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOc1ccccc1 NC(=O)[*:1] CC[NH2+][C@@]1(CCC[C@H]1CCOc1ccccc1)[*:1]
CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOc1ccccc1 c1ccc(cc1)[*:1] CC[NH2+][C@@]1(CCC[C@H]1CCO[*:1])C(N)=O
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 CCOC(=O)[*:1] O=S(=O)([N-]c1ccccc1[*:1])c1cccc(F)c1
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CCOC(=O)c1ccccc1[N-]S(=O)(=O)[*:1]
Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCc1c(F)cccc1Cl
COC(=O)C1CCN(C(=O)CCn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1 COC(=O)[*:1] O=C(CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCC(CC1)[*:1]
COC(=O)C1CCN(C(=O)CCn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1 Fc1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)CCn1cnc2c(cnn2[*:1])c1=O
CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1)c1ccc(C)cc1 Cc1ccc(cc1)C[*:1] CC[C@H](NC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccc(C)cc1
CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1)[*:1]
CC[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)[C@@H]1CC(=O)N(C1)C[*:1])c1ccc(C)cc1
COc1ccc(Cn2ncc3cc(C(=O)N4CCC[C@H]5CCCC[C@H]54)cnc32)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(c1cnc2c(cnn2C[*:1])c1)N1CCC[C@H]2CCCC[C@H]21
CC(=O)Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 c1c[nH]c(c1)[*:1] CC(=O)Nc1ccc(cc1)CC(=O)N1CCC[C@H]1[*:1]
CC(=O)Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 CC(=O)N[*:1] O=C(Cc1ccc(cc1)[*:1])N1CCC[C@@H]1c1ccc[nH]1
CC(C)CCN(CCC(C)C)C(=O)c1cnc[nH]1 CC(C)C[*:1] CC(C)CCN(C[*:1])C(=O)c1cnc[nH]1
CC(C)CCN(CCC(C)C)C(=O)c1cnc[nH]1 CC(C)[*:1] CC(C)CCN(CC[*:1])C(=O)c1cnc[nH]1
CC(C)CCN(CCC(C)C)C(=O)c1cnc[nH]1 c1ncc([nH]1)[*:1] CC(C)CCN(CCC(C)C)C(=O)[*:1]
CC(C)CCN(CCC(C)C)C(=O)c1cnc[nH]1 CC(C)CC[*:1] CC(C)CCN(C(=O)c1cnc[nH]1)[*:1]
COc1cc(OC)c2c(c1)OC(=O)[C@@H](CC(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]2C CC(C)(C)c1nnc(s1)[*:1] COc1cc(OC)c2c(c1)OC(=O)[C@@H](CC(=O)N[*:1])[C@@H]2C
COc1cc(OC)c2c(c1)OC(=O)[C@@H](CC(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]2C CC(C)(C)[*:1] COc1cc(OC)c2c(c1)OC(=O)[C@@H](CC(=O)Nc1nnc(s1)[*:1])[C@@H]2C
CC1(C)CCc2ccccc2[C@@H]1NC(=O)CN1CCCS1(=O)=O O=S1(=O)CCCN1[*:1] CC1(C)CCc2ccccc2[C@@H]1NC(=O)C[*:1]
COc1ccccc1NC(=O)CS(=O)(=O)c1cccs1 c1csc(c1)[*:1] COc1ccccc1NC(=O)CS(=O)(=O)[*:1]
C[C@H](Cl)C(=O)N1CCNCC1 C[C@H](Cl)[*:1] O=C(N1CCNCC1)[*:1]
O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)[C@H](c1cccnc1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(NCCN1Cc2ccccc2O[C@@H](C1)c1ccccc1F)[C@H](c1cccnc1)[*:1]
O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)[C@H](c1cccnc1)N1CCOCC1 c1cncc(c1)[*:1] O=C(NCCN1Cc2ccccc2O[C@@H](C1)c1ccccc1F)[C@H](N1CCOCC1)[*:1]
O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)[C@H](c1cccnc1)N1CCOCC1 Fc1ccccc1[*:1] O=C(NCCN1Cc2ccccc2O[C@H](C1)[*:1])[C@H](c1cccnc1)N1CCOCC1
O=C(Nc1ccccc1-c1ccc(=O)[nH]n1)[C@H]1COc2ccccc2O1 O=c1ccc(n[nH]1)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1COc2ccccc2O1
CC1=C(C(=O)N(C)C)[C@@H](c2ccc(O[C@@H](C)C#N)cc2)NC(=S)N1 C[C@@H](C#N)O[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N(C)C)c1ccc(cc1)[*:1]
CC1=C(C(=O)N(C)C)[C@@H](c2ccc(O[C@@H](C)C#N)cc2)NC(=S)N1 C[C@@H](C#N)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N(C)C)c1ccc(cc1)O[*:1]
CC1=C(C(=O)N(C)C)[C@@H](c2ccc(O[C@@H](C)C#N)cc2)NC(=S)N1 CN(C)C(=O)[*:1] CC1NC(=S)N[C@@H](C=1[*:1])c1ccc(cc1)O[C@@H](C)C#N
Cc1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c(=O)[nH]1 Fc1cccc(F)c1[*:1] Cc1ccc(C(=O)N[C@@H]2CCN(C2)[*:1])c(=O)[nH]1
Cc1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c(=O)[nH]1 Cc1ccc(c(=O)[nH]1)[*:1] O=C(N[C@@H]1CCN(C1)c1c(F)cccc1F)[*:1]
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(c1ccc(Cl)cn1)CC2 Clc1ccc(nc1)[*:1] CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(CC2)[*:1]
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(c1ccc(Cl)cn1)CC2 O=C([O-])[*:1] CN1C(=O)C[C@@H](C12CCN(CC2)c1ccc(Cl)cn1)[*:1]
CCC[C@@H](NC(=O)c1cnc(CC)nc1)c1cccs1 c1csc(c1)[*:1] CCC[C@@H](NC(=O)c1cnc(CC)nc1)[*:1]
CCC[C@@H](NC(=O)c1cnc(CC)nc1)c1cccs1 CCC[*:1] CCc1ncc(cn1)C(=O)N[C@@H](c1cccs1)[*:1]
Cc1cc(C(=O)NCc2ccccn2)ccc1N(C)S(=O)(=O)c1ccccc1 c1ccc(nc1)[*:1] Cc1cc(ccc1N(C)S(=O)(=O)c1ccccc1)C(=O)NC[*:1]
Cc1cc(C(=O)NCc2ccccn2)ccc1N(C)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(ccc1N(C)S(=O)(=O)[*:1])C(=O)NCc1ccccn1
Cc1cc(C(=O)NCc2ccccn2)ccc1N(C)S(=O)(=O)c1ccccc1 c1ccc(C[*:1])nc1 Cc1cc(ccc1N(C)S(=O)(=O)c1ccccc1)C(=O)N[*:1]
CCOC(=O)c1cccc(NC(=O)c2cc(Br)ccc2OC)c1 CCOC(=O)[*:1] COc1ccc(Br)cc1C(=O)Nc1cccc(c1)[*:1]
O=C(CN1CCO[C@@H](c2ccc(F)c(F)c2)C1)NC(=O)Nc1ccccc1 Fc1ccc(cc1F)[*:1] O=C(CN1CCO[C@@H](C1)[*:1])NC(=O)Nc1ccccc1
O=C(CN1CCO[C@@H](c2ccc(F)c(F)c2)C1)NC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CN1CCO[C@H](C1)c1ccc(F)c(F)c1)NC(=O)N[*:1]
CCNc1cc[nH+]c(CSC(C)(C)C)c1 CCN[*:1] CC(C)(C)SCc1cc(cc[nH+]1)[*:1]
CCNc1cc[nH+]c(CSC(C)(C)C)c1 CC(C)(C)[*:1] CCNc1cc[nH+]c(c1)CS[*:1]
CCNc1cc[nH+]c(CSC(C)(C)C)c1 CC(C)(C)S[*:1] CCNc1cc[nH+]c(c1)C[*:1]
Cc1cc(N(C)C)cc(C2CCN(C(=O)c3cncs3)CC2)[nH+]1 CN(C)[*:1] Cc1cc(cc([nH+]1)C1CCN(CC1)C(=O)c1cncs1)[*:1]
Cc1cc(N(C)C)cc(C2CCN(C(=O)c3cncs3)CC2)[nH+]1 c1ncc(s1)[*:1] Cc1cc(cc([nH+]1)C1CCN(CC1)C(=O)[*:1])N(C)C
CS/C(=N\S(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 Cc1ccc(cc1)[*:1] CS/C(=N\S(=O)(=O)[*:1])N1CCN(CC1)S(=O)(=O)c1cc(C)ccc1C
CS/C(=N\S(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 Cc1ccc(C)c(c1)[*:1] CS/C(=N\S(=O)(=O)c1ccc(C)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
COC(=O)c1c(-c2ccc(Cl)cc2)noc1NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COC(=O)c1c(noc1N[*:1])-c1ccc(Cl)cc1
COC(=O)c1c(-c2ccc(Cl)cc2)noc1NCc1ccc(F)cc1 COC(=O)[*:1] Fc1ccc(cc1)CNc1onc(-c2ccc(Cl)cc2)c1[*:1]
COC(=O)c1c(-c2ccc(Cl)cc2)noc1NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COC(=O)c1c(noc1NC[*:1])-c1ccc(Cl)cc1
COC(=O)c1c(-c2ccc(Cl)cc2)noc1NCc1ccc(F)cc1 Clc1ccc(cc1)[*:1] COC(=O)c1c(noc1NCc1ccc(F)cc1)[*:1]
Cc1csc(C(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)c1 Cc1csc(c1)[*:1] O=C(Nc1ccc(F)cc1)O[C@@H]1CCC[C@H](C1)NC(=O)[*:1]
Cc1csc(C(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] Cc1csc(c1)C(=O)N[C@@H]1CCC[C@H](C1)OC(=O)N[*:1]
O=C(Cn1ccc(C(F)(F)F)n1)OCC(=O)C1=c2ccccc2=[NH+]C1 FC(F)(F)[*:1] O=C(Cn1ccc(n1)[*:1])OCC(=O)C1C[NH+]=c2ccccc2=1
C[C@H](Oc1ccccc1F)C(=O)Nc1cccnc1 c1cncc(c1)[*:1] C[C@H](Oc1ccccc1F)C(=O)N[*:1]
[NH3+][C@@H](Cc1ccccc1)c1nnc(SCc2c(F)cccc2Cl)o1 c1ccc(cc1)[*:1] [NH3+][C@@H](C[*:1])c1nnc(o1)SCc1c(F)cccc1Cl
[NH3+][C@@H](Cc1ccccc1)c1nnc(SCc2c(F)cccc2Cl)o1 Fc1cccc(Cl)c1[*:1] [NH3+][C@@H](Cc1ccccc1)c1nnc(o1)SC[*:1]
[NH3+][C@@H](Cc1ccccc1)c1nnc(SCc2c(F)cccc2Cl)o1 c1ccc(cc1)C[*:1] [NH3+][C@@H](c1nnc(o1)SCc1c(F)cccc1Cl)[*:1]
C[C@H](NC(=O)NCC(C)(C)c1ccncc1)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@H](NC(=O)NCC(C)(C)c1ccncc1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NCC(C)(C)c1ccncc1)c1ccc(-n2cccn2)cc1 CC(C)(c1ccncc1)[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(cc1)-n1cccn1
C[C@H](NC(=O)NCC(C)(C)c1ccncc1)c1ccc(-n2cccn2)cc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)NCC(C)(C)[*:1])c1ccc(cc1)-n1cccn1
Cn1c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]c2cc(N)ccc21 Clc1ccc(cc1)[*:1] Cn1c(CN2CCN(CC2)C(=O)[*:1])[nH+]c2cc(N)ccc21
C[C@@H]([NH3+])c1ccc(NC(=O)NC[C@@]2(C)CCCO2)cc1 C[C@]1(CCCO1)[*:1] C[C@@H]([NH3+])c1ccc(cc1)NC(=O)NC[*:1]
CCc1noc(C)c1C(=O)Nc1cc(F)ccc1N1CCCCC1 C1CCN(CC1)[*:1] CCc1noc(C)c1C(=O)Nc1cc(F)ccc1[*:1]
CCc1noc(C)c1C(=O)Nc1cc(F)ccc1N1CCCCC1 CCc1noc(C)c1[*:1] O=C(Nc1cc(F)ccc1N1CCCCC1)[*:1]
CC[NH+](Cc1ccc(C(=O)N(C)C)cc1)Cc1nnc(C(C)(C)C)o1 CC(C)(C)[*:1] CC[NH+](Cc1ccc(cc1)C(=O)N(C)C)Cc1nnc(o1)[*:1]
CC[NH+](Cc1ccc(C(=O)N(C)C)cc1)Cc1nnc(C(C)(C)C)o1 CN(C)C(=O)[*:1] CC[NH+](Cc1ccc(cc1)[*:1])Cc1nnc(o1)C(C)(C)C
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cc(F)ccc1F O=[N+]([O-])[*:1] CCc1ccc(cc1S(=O)(=O)N(C)c1cc(F)ccc1F)[*:1]
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CCc1ccc(cc1S(=O)(=O)N(C)[*:1])[N+](=O)[O-]
Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(F)cc1F O=[N+]([O-])[*:1] Cc1ncc(n1CC(=O)Nc1ccc(F)cc1F)[*:1]
O=C(OC1(C2CC2)CC1)c1csc(-c2ccccc2)n1 C1CC1C1(CC1)[*:1] O=C(O[*:1])c1csc(n1)-c1ccccc1
O=C(OC1(C2CC2)CC1)c1csc(-c2ccccc2)n1 C1CC1[*:1] O=C(OC1(CC1)[*:1])c1csc(n1)-c1ccccc1
O=C(OC1(C2CC2)CC1)c1csc(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(OC1(CC1)C1CC1)c1csc(n1)[*:1]
O=C(c1ccc(C[NH+]2CCCN(c3ncccn3)CC2)cc1)N1CCCC1 c1cnc(nc1)[*:1] O=C(c1ccc(cc1)C[NH+]1CCCN(CC1)[*:1])N1CCCC1
O=C(c1ccc(C[NH+]2CCCN(c3ncccn3)CC2)cc1)N1CCCC1 O=C(N1CCCC1)[*:1] c1cnc(nc1)N1CCC[NH+](CC1)Cc1ccc(cc1)[*:1]
Cc1csc([C@@H](C)NC(=O)c2ccco2)n1 c1coc(c1)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 c1ccc2sc(nc2c1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H](C1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)N1CCC[C@H](C1)c1nc2ccccc2s1)[*:1]
C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1nc2ccccc2[nH]1 C1CC1C[*:1] C[C@@H](NC(=O)N(CCC(F)(F)F)[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1nc2ccccc2[nH]1 C1CC1[*:1] C[C@@H](NC(=O)N(CCC(F)(F)F)C[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1nc2ccccc2[nH]1 FC(F)(F)C[*:1] C[C@@H](NC(=O)N(CC1CC1)C[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1nc2ccccc2[nH]1 FC(F)(F)CC[*:1] C[C@@H](NC(=O)N(CC1CC1)[*:1])c1nc2ccccc2[nH]1
C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)c1nc2ccccc2[nH]1 FC(F)(F)[*:1] C[C@@H](NC(=O)N(CC[*:1])CC1CC1)c1nc2ccccc2[nH]1
CC(=O)Oc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 CC(=O)O[*:1] CC1NC2C[C@H](CC(=O)C=2[C@H](C=1C(=O)OC(C)C)c1ccc(cc1)[*:1])c1cccs1
CC(=O)Oc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 CC(C)OC(=O)[*:1] CC(=O)Oc1ccc(cc1)[C@@H]1C2C(=O)C[C@@H](CC=2NC(C)=C1[*:1])c1cccs1
CC(=O)Oc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 c1csc(c1)[*:1] CC(=O)Oc1ccc(cc1)[C@H]1C(C(=O)OC(C)C)=C(C)NC2C[C@@H](CC(=O)C=21)[*:1]
CC(=O)Oc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 CC(C)[*:1] CC(=O)Oc1ccc(cc1)[C@H]1C(C(=O)O[*:1])=C(C)NC2C[C@H](CC(=O)C=21)c1cccs1
CC(=O)Oc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 CC(=O)Oc1ccc(cc1)[*:1] CC1NC2C[C@H](CC(=O)C=2[C@H](C=1C(=O)OC(C)C)[*:1])c1cccs1
COc1ccc2nc(N[C@@H](C)CN3CCOCC3)sc2c1 C1CN(CCO1)C[*:1] COc1ccc2nc(N[C@@H](C)[*:1])sc2c1
COc1ccc2nc(N[C@@H](C)CN3CCOCC3)sc2c1 C1CN(CCO1)[*:1] COc1ccc2nc(N[C@@H](C)C[*:1])sc2c1
CNS(=O)(=O)c1ccc(CN2CCO[C@H](CC3CCCCC3)C2)cc1 C1CCC(CC1)[*:1] CNS(=O)(=O)c1ccc(cc1)CN1CCO[C@@H](C1)C[*:1]
CNS(=O)(=O)c1ccc(CN2CCO[C@H](CC3CCCCC3)C2)cc1 CNS(=O)(=O)[*:1] c1cc(ccc1CN1CCO[C@H](CC2CCCCC2)C1)[*:1]
CNS(=O)(=O)c1ccc(CN2CCO[C@H](CC3CCCCC3)C2)cc1 C1CCC(CC1)C[*:1] CNS(=O)(=O)c1ccc(cc1)CN1CCO[C@H](C1)[*:1]
CN(Cc1ccccc1)C(=O)COC(=O)c1cccc(I)c1 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)COC(=O)c1cccc(I)c1
CN(Cc1ccccc1)C(=O)COC(=O)c1cccc(I)c1 c1ccc(cc1)C[*:1] CN(C(=O)COC(=O)c1cccc(I)c1)[*:1]
CN(Cc1ccccc1)C(=O)COC(=O)c1cccc(I)c1 Ic1cccc(c1)[*:1] CN(Cc1ccccc1)C(=O)COC(=O)[*:1]
Cc1ccn(-c2ccc(NC[C@H](O)c3ccccc3Cl)nn2)n1 Cc1ccn(n1)[*:1] O[C@@H](CNc1ccc(nn1)[*:1])c1ccccc1Cl
Cc1ccn(-c2ccc(NC[C@H](O)c3ccccc3Cl)nn2)n1 Clc1ccccc1[*:1] Cc1ccn(n1)-c1ccc(nn1)NC[C@H](O)[*:1]
CCc1ccc(S(=O)(=O)Nc2cccc(-c3ncc(C)o3)c2)cc1 CCc1ccc(cc1)[*:1] Cc1cnc(o1)-c1cccc(c1)NS(=O)(=O)[*:1]
CCc1ccc(S(=O)(=O)Nc2cccc(-c3ncc(C)o3)c2)cc1 Cc1cnc(o1)[*:1] CCc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[*:1]
O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)N1CCN(CC1)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)s1 Cc1ccc(s1)[*:1] CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)s1 CN(C)S(=O)(=O)[*:1] Cc1ccc(s1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(ccc1Cl)[*:1]
CN1C(=O)NC(=O)C(=C2C[C@H](c3cccnc3)Sc3ccccc3N2)C1=O c1cncc(c1)[*:1] CN1C(=O)NC(=O)C(C1=O)=C1C[C@H](Sc2ccccc2N1)[*:1]
O=C(NCc1cc(-c2cc3ccccc3o2)on1)c1ccc2[nH]cnc2c1 c1ccc2oc(cc2c1)[*:1] O=C(NCc1cc(on1)[*:1])c1ccc2[nH]cnc2c1
O=C(NCc1cc(-c2cc3ccccc3o2)on1)c1ccc2[nH]cnc2c1 c1nc2cc(ccc2[nH]1)[*:1] O=C(NCc1cc(on1)-c1cc2ccccc2o1)[*:1]
Oc1cccc(C(F)(F)F)c1F FC(F)(F)[*:1] Oc1cccc(c1F)[*:1]
O=C(Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCCC1=CCCCC1 Fc1ccc(cc1)[*:1] O=C(Cn1ccn2nc(cc2c1=O)[*:1])NCCC1=CCCCC1
CCCCN(CC)C(=O)N[C@H]1CCSc2ccc(F)cc21 CCC[*:1] CCN(C[*:1])C(=O)N[C@H]1CCSc2ccc(F)cc21
CCCCN(CC)C(=O)N[C@H]1CCSc2ccc(F)cc21 CCCC[*:1] CCN(C(=O)N[C@H]1CCSc2ccc(F)cc21)[*:1]
C[NH2+]Cc1cnc([C@H](C)OC)s1 CO[C@@H](C)[*:1] C[NH2+]Cc1cnc(s1)[*:1]
CCOc1ccc(C(=O)Nc2nc(CN3CCc4ccccc4C3)cs2)cc1 CCO[*:1] O=C(Nc1nc(cs1)CN1CCc2ccccc2C1)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)Nc2nc(CN3CCc4ccccc4C3)cs2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)CN1CCc2ccccc2C1)[*:1]
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1CN(CCO1)[*:1])C1CCC(=O)N(N=1)c1ccccc1
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CN(CCO1)C[*:1])C1CCC(=O)N(N=1)c1ccccc1
O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1=NN(c2ccccc2)C(=O)CC1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CN(CCO1)Cc1ccccc1)C1CCC(=O)N(N=1)[*:1]
Nc1cc(Cl)c(NC(=O)c2ccccc2F)cc1N1CCCC1 C1CCN(C1)[*:1] Nc1cc(Cl)c(cc1[*:1])NC(=O)c1ccccc1F
Nc1cc(Cl)c(NC(=O)c2ccccc2F)cc1N1CCCC1 Fc1ccccc1[*:1] Nc1cc(Cl)c(cc1N1CCCC1)NC(=O)[*:1]
O=C(c1cccc(Cl)c1)N1CCC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 C1CCN(C1)[*:1] O=C(c1cccc(Cl)c1)N1CCC[NH+](CC1)Cc1ccc(nc1)[*:1]
O=C(c1cccc(Cl)c1)N1CCC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 Clc1cccc(c1)[*:1] O=C(N1CCC[NH+](CC1)Cc1ccc(nc1)N1CCCC1)[*:1]
Cc1ccsc1CNC(=O)N1CCC(C(=O)N(C)C)CC1 CN(C)C(=O)[*:1] Cc1ccsc1CNC(=O)N1CCC(CC1)[*:1]
Cc1ccsc1CNC(=O)N1CCC(C(=O)N(C)C)CC1 Cc1ccsc1C[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)N[*:1]
Cc1ccsc1CNC(=O)N1CCC(C(=O)N(C)C)CC1 Cc1ccsc1[*:1] CN(C)C(=O)C1CCN(CC1)C(=O)NC[*:1]
C[C@@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NCc1ccccc1)C1CCN(CC1)C(=O)c1cn(nc1[*:1])-c1ccccc1
C[C@@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])C1CCN(CC1)C(=O)c1cn(nc1-c1ccccc1)-c1ccccc1
C[C@@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 c1ccc(cc1)C[*:1] C[C@@H](C(=O)N[*:1])C1CCN(CC1)C(=O)c1cn(nc1-c1ccccc1)-c1ccccc1
C[C@@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NCc1ccccc1)C1CCN(CC1)C(=O)c1cn(nc1-c1ccccc1)[*:1]
C[C@@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 O=C(NCc1ccccc1)[*:1] C[C@@H](C1CCN(CC1)C(=O)c1cn(nc1-c1ccccc1)-c1ccccc1)[*:1]
CCOc1ccc(N(CCC#N)C(C)=O)cc1 CCO[*:1] CC(=O)N(CCC#N)c1ccc(cc1)[*:1]
CCOc1ccc(N(CCC#N)C(C)=O)cc1 N#CCC[*:1] CCOc1ccc(cc1)N(C(C)=O)[*:1]
CCOc1ccc(N(CCC#N)C(C)=O)cc1 N#CC[*:1] CCOc1ccc(cc1)N(C[*:1])C(C)=O
CCC[NH2+][C@H](CCc1ccccc1)[C@H]1CN(C)CCO1 c1ccc(cc1)[*:1] CCC[NH2+][C@H](CC[*:1])[C@H]1CN(C)CCO1
CCC[NH2+][C@H](CCc1ccccc1)[C@H]1CN(C)CCO1 CCC[*:1] CN1CCO[C@H](C1)[C@@H](CCc1ccccc1)[NH2+][*:1]
CCC(CC)N1C[C@@H](C(C)C)[NH2+]CC12CCCCC2 CC(C)[*:1] CCC(CC)N1C[C@@H]([NH2+]CC12CCCCC2)[*:1]
CCC(CC)N1C[C@@H](C(C)C)[NH2+]CC12CCCCC2 CCC(CC)[*:1] CC(C)[C@@H]1CN(C2(CCCCC2)C[NH2+]1)[*:1]
CC(=O)NC(C)(C)c1noc(-c2cccc3ccc(C)nc23)n1 CC(=O)N[*:1] Cc1ccc2cccc(-c3nc(no3)C(C)(C)[*:1])c2n1
CC(=O)NC(C)(C)c1noc(-c2cccc3ccc(C)nc23)n1 CC(=O)NC(C)(C)[*:1] Cc1ccc2cccc(-c3nc(no3)[*:1])c2n1
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCn1cnc2ccccc2c1=O COC(=O)[*:1] O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CCCC[C@H]1[*:1]
Cn1cc(C/C([O-])=N/S(=O)(=O)C2CCCC2)c2ccccc21 C1CCC(C1)[*:1] Cn1cc(C/C([O-])=N/S(=O)(=O)[*:1])c2ccccc21
Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1ccccc1F Fc1ccccc1[*:1] Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)C1 CCNC(=O)[*:1] O=C(NCC(=O)N1CCC[C@@H](C1)[*:1])c1cc2CCCCc2s1
Cc1ccccc1-n1nc2c(c1-n1cccc1)CN(C(=O)c1cccs1)C2 c1csc(c1)[*:1] Cc1ccccc1-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
Cc1ccccc1-n1nc2c(c1-n1cccc1)CN(C(=O)c1cccs1)C2 c1ccn(c1)[*:1] Cc1ccccc1-n1nc2CN(Cc2c1[*:1])C(=O)c1cccs1
Cc1ccccc1-n1nc2c(c1-n1cccc1)CN(C(=O)c1cccs1)C2 Cc1ccccc1[*:1] O=C(c1cccs1)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
CCC(CC)[C@H](C)NC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] CCC(CC)[C@H](C)NC[*:1]
Cc1ccc(C2=NN=C(C(=O)c3c([O-])n(C)c(=O)n(C)c3=O)C2)s1 Cc1ccc(s1)[*:1] Cn1c([O-])c(C(=O)C2CC(=NN=2)[*:1])c(=O)n(C)c1=O
COC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)c[nH]1 COC(=O)[*:1] Cc1ccc(cc1C)OC1CC[NH+](CC1)Cc1c[nH]c(c1)[*:1]
COC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C)c(C)c3)CC2)c[nH]1 Cc1ccc(cc1C)[*:1] COC(=O)c1cc(c[nH]1)C[NH+]1CCC(CC1)O[*:1]
CC[C@H](C)N(C)C(=O)[C@H]1CCC[NH2+][C@@H]1C CC[C@H](C)[*:1] C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)[*:1]
O=C(c1ncccc1Cl)N1CCN(c2ccccc2F)CC1 Clc1cccnc1[*:1] O=C(N1CCN(CC1)c1ccccc1F)[*:1]
O=C(c1ncccc1Cl)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1ncccc1Cl)N1CCN(CC1)[*:1]
NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(F)cc2I)c1 NC(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1ccc(F)cc1I
NC(=O)c1c(NC(=O)c2cncc(Br)c2)sc2c1CCCCC2 NC(=O)[*:1] O=C(Nc1sc2CCCCCc2c1[*:1])c1cncc(Br)c1
NC(=O)c1c(NC(=O)c2cncc(Br)c2)sc2c1CCCCC2 Brc1cncc(c1)[*:1] NC(=O)c1c(NC(=O)[*:1])sc2CCCCCc21
COc1ccc(C(=O)Nc2ccc(N(C)C)c3ccccc23)cc1OC CN(C)[*:1] COc1ccc(cc1OC)C(=O)Nc1ccc(c2ccccc12)[*:1]
CN1C(=O)N=C([O-])C2=NC(Cc3ccccc3)=N[C@H]21 c1ccc(cc1)[*:1] CN1C(=O)N=C([O-])C2=NC(C[*:1])=N[C@H]21
O=C(/C=C/c1cccs1)N[C@@H](c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=C(/C=C/c1cccs1)N[C@@H](c1cccs1)[*:1]
O=C(/C=C/c1cccs1)N[C@@H](c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(C=C[*:1])N[C@@H](c1ccccc1)c1cccs1
O=C(/C=C/c1cccs1)N[C@@H](c1ccccc1)c1cccs1 C(=C[*:1])c1cccs1 O=C(N[C@@H](c1ccccc1)c1cccs1)[*:1]
O=C(/C=C/c1cccs1)N[C@@H](c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=C(/C=C/c1cccs1)N[C@@H](c1ccccc1)[*:1]
COc1ccc(OC)c(-c2cc(C(=O)NC[C@]3(O)CCc4ccccc4C3)n(C)n2)c1 COc1ccc(OC)c(c1)[*:1] Cn1nc(cc1C(=O)NC[C@]1(O)CCc2ccccc2C1)[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)CNc2c(C)cc(C)cc2C)cc1 Cc1cc(C)c(c(C)c1)[*:1] CC[C@H](C)NC(=O)c1ccc(cc1)NC(=O)CN[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)CNc2c(C)cc(C)cc2C)cc1 CC[C@H](C)NC(=O)[*:1] Cc1cc(C)c(NCC(=O)Nc2ccc(cc2)[*:1])c(C)c1
CC[C@H](C)NC(=O)c1ccc(NC(=O)CNc2c(C)cc(C)cc2C)cc1 CC[C@H](C)[*:1] Cc1cc(C)c(NCC(=O)Nc2ccc(cc2)C(=O)N[*:1])c(C)c1
CCOC(=O)c1c(C)oc2nc(C)nc(N3CCN(c4cc(Cl)ccc4C)CC3)c12 Cc1ccc(Cl)cc1[*:1] CCOC(=O)c1c(C)oc2nc(C)nc(c12)N1CCN(CC1)[*:1]
CCOC(=O)c1c(C)oc2nc(C)nc(N3CCN(c4cc(Cl)ccc4C)CC3)c12 CCOC(=O)[*:1] Cc1nc(c2c(c(C)oc2n1)[*:1])N1CCN(CC1)c1cc(Cl)ccc1C
CCOC(=O)[C@H](C)Sc1ccc(N)c(C)c1 CCOC(=O)[*:1] Cc1cc(ccc1N)S[C@@H](C)[*:1]
Cc1ccc(O[C@@H](C)CNC(=O)[C@H]2CCCS2)cc1 C1CS[C@H](C1)[*:1] Cc1ccc(cc1)O[C@@H](C)CNC(=O)[*:1]
Cn1nc(C(=O)Nc2ccccc2OC(F)(F)F)ccc1=O FC(F)(F)O[*:1] Cn1nc(ccc1=O)C(=O)Nc1ccccc1[*:1]
Cn1nc(C(=O)Nc2ccccc2OC(F)(F)F)ccc1=O FC(F)(F)[*:1] Cn1nc(ccc1=O)C(=O)Nc1ccccc1O[*:1]
CC(C)Cn1c(CN2C[C@H](C)O[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C CC(C)[*:1] C[C@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2C[*:1])C[C@H](C)O1
CC(C)Cn1c(CN2C[C@H](C)O[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C CC(C)C[*:1] C[C@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2[*:1])C[C@H](C)O1
CCC[C@@H]1C[C@H]1NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] CCC[C@@H]1C[C@H]1NC(=O)c1ccccc1-c1nc(no1)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 CCC[*:1] CC(C)(C)c1noc(n1)-c1ccccc1C(=O)N[C@@H]1C[C@H]1[*:1]
O[C@H](CSC1CCCC1)[C@@H]1CCO[C@]2(CCSC2)C1 C1CCC(C1)S[*:1] O[C@H](C[*:1])[C@@H]1CCO[C@]2(CCSC2)C1
O[C@H](CSC1CCCC1)[C@@H]1CCO[C@]2(CCSC2)C1 C1CCC(C1)[*:1] O[C@H](CS[*:1])[C@@H]1CCO[C@]2(CCSC2)C1
O=C(NCCC(F)(F)F)N[C@@H]1CCCc2ccccc21 FC(F)(F)CC[*:1] O=C(N[C@@H]1CCCc2ccccc21)N[*:1]
O=C(NCCC(F)(F)F)N[C@@H]1CCCc2ccccc21 FC(F)(F)C[*:1] O=C(NC[*:1])N[C@@H]1CCCc2ccccc21
O=C(NCCC(F)(F)F)N[C@@H]1CCCc2ccccc21 FC(F)(F)[*:1] O=C(NCC[*:1])N[C@@H]1CCCc2ccccc21
CCCc1nnc2n1N[C@H](c1ccc(OCC)cc1)[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)S2 Fc1ccc(cc1Cl)[*:1] CCCc1nnc2S[C@H](C(=O)N[*:1])[C@H](Nn12)c1ccc(cc1)OCC
CCCc1nnc2n1N[C@H](c1ccc(OCC)cc1)[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)S2 CCC[*:1] CCOc1ccc(cc1)[C@H]1Nn2c(nnc2[*:1])S[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1
CCCc1nnc2n1N[C@H](c1ccc(OCC)cc1)[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)S2 CCO[*:1] CCCc1nnc2S[C@H](C(=O)Nc3ccc(F)c(Cl)c3)[C@H](Nn12)c1ccc(cc1)[*:1]
CCCc1nnc2n1N[C@H](c1ccc(OCC)cc1)[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)S2 CCOc1ccc(cc1)[*:1] CCCc1nnc2S[C@H](C(=O)Nc3ccc(F)c(Cl)c3)[C@@H](Nn12)[*:1]
CCc1cnc(CN(C)C(=O)N[C@@H]2CCCC[C@H]2OC)s1 CCc1cnc(s1)[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)N(C)C[*:1]
C/C(=N\NC(=O)CCc1c(O)n[nH]c1C)c1cccc([N+](=O)[O-])c1 Cc1[nH]nc(O)c1C[*:1] C/C(=N\NC(=O)C[*:1])c1cccc(c1)[N+](=O)[O-]
C/C(=N\NC(=O)CCc1c(O)n[nH]c1C)c1cccc([N+](=O)[O-])c1 Cc1[nH]nc(O)c1[*:1] C/C(=N\NC(=O)CC[*:1])c1cccc(c1)[N+](=O)[O-]
C/C(=N\NC(=O)CCc1c(O)n[nH]c1C)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C/C(=N\NC(=O)CCc1c(O)n[nH]c1C)c1cccc(c1)[*:1]
CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@@H]3c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@H]3[*:1]
CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@@H]3c1ccc(Cl)c(Cl)c1 CCO[*:1] C[NH+](C)CCN1C(=O)c2oc3cc(ccc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1)[*:1]
CCCC[C@H]1NN=C(NC(=O)c2n[nH]c3ccccc23)S1 CCCC[*:1] O=C(NC1=NN[C@@H](S1)[*:1])c1n[nH]c2ccccc12
CCCC[C@H]1NN=C(NC(=O)c2n[nH]c3ccccc23)S1 CCC[*:1] O=C(NC1=NN[C@H](C[*:1])S1)c1n[nH]c2ccccc12
Cc1ccc(-c2csc(/C(C#N)=C\c3coc4ccccc4c3=O)n2)cc1 Cc1ccc(cc1)[*:1] N#C/C(=C/c1coc2ccccc2c1=O)c1nc(cs1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)N[C@H](C)c2ccc(SC)c(F)c2)cc1 COc1ccc(cc1)[*:1] CSc1ccc(cc1F)[C@@H](C)N[C@H](C)[C@H](O)[*:1]
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(OC(F)F)c1C FC(F)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(O[*:1])c1C
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(OC(F)F)c1C FC(F)O[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1C)[*:1]
CC(C)c1ccc(C2=Nc3ncnn3/C2=N\Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)C1=Nc2ncnn2/C1=N\C[*:1]
CC(C)c1ccc(C2=Nc3ncnn3/C2=N\Cc2ccc(F)cc2)cc1 CC(C)[*:1] Fc1ccc(cc1)C/N=C1/C(=Nc2ncnn21)c1ccc(cc1)[*:1]
CC(C)c1ccc(C2=Nc3ncnn3/C2=N\Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] CC(C)c1ccc(cc1)C1=Nc2ncnn2C1=N[*:1]
COc1cc(C(=O)Cl)ccc1OCc1ccc(Br)cc1 O=C(Cl)[*:1] COc1cc(ccc1OCc1ccc(Br)cc1)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)[nH]n2)cc1 O=S(=O)(N[*:1])c1cccs1 Cc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCC(CC1)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)[nH]n2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
Cc1ccc(-c2cc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)[nH]n2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc(n[nH]1)[*:1])N1CCC(CC1)NS(=O)(=O)c1cccs1
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)NCCc1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[*:1]
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[*:1]
C[C@H](O)[C@H](NC(=O)COCC[NH3+])C(=O)[O-] [NH3+]CC[*:1] C[C@H](O)[C@H](NC(=O)CO[*:1])C(=O)[O-]
C[C@H](O)[C@H](NC(=O)COCC[NH3+])C(=O)[O-] C[C@H](O)[*:1] [NH3+]CCOCC(=O)N[C@H](C(=O)[O-])[*:1]
C[C@H](O)[C@H](NC(=O)COCC[NH3+])C(=O)[O-] O=C([O-])[*:1] C[C@H](O)[C@H](NC(=O)COCC[NH3+])[*:1]
C[C@H](O)[C@H](NC(=O)COCC[NH3+])C(=O)[O-] [NH3+]CCOC[*:1] C[C@H](O)[C@H](NC(=O)[*:1])C(=O)[O-]
C[C@H](O)[C@H](NC(=O)COCC[NH3+])C(=O)[O-] [NH3+]CCO[*:1] C[C@H](O)[C@H](NC(=O)C[*:1])C(=O)[O-]
CC(C)[C@@H](NC(=O)[C@H]1C=CC(Cl)=C[C@@H]1Cl)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(N[C@@H](c1nc2ccccc2[nH]1)[*:1])[C@H]1C=CC(Cl)=C[C@@H]1Cl
C[C@H](Cc1ccccc1F)NC(=O)Nc1ncnn1C Cn1ncnc1[*:1] C[C@H](Cc1ccccc1F)NC(=O)N[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(Cc1ccco1)C3=O c1coc(c1)[*:1] Cc1ccc2oc3C(=O)N(C[*:1])[C@@H](c4cccc(Cl)c4)c3c(=O)c2c1
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(Cc1ccco1)C3=O c1coc(c1)C[*:1] Cc1ccc2oc3C(=O)N([C@@H](c4cccc(Cl)c4)c3c(=O)c2c1)[*:1]
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(Cc1ccco1)C3=O Clc1cccc(c1)[*:1] Cc1ccc2oc3C(=O)N(Cc4ccco4)[C@@H](c3c(=O)c2c1)[*:1]
CC(C)C[NH+]1CCN(c2ccc3nnnn3n2)CC1 CC(C)C[*:1] c1cc2nnnn2nc1N1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCN(c2ccc3nnnn3n2)CC1 CC(C)[*:1] c1cc2nnnn2nc1N1CC[NH+](CC1)C[*:1]
Cc1ccccc1-c1ccc(C[NH+]2CCC(=O)N(Cc3ccncc3)CC2)cc1 c1cc(ccn1)C[*:1] Cc1ccccc1-c1ccc(cc1)C[NH+]1CCC(=O)N(CC1)[*:1]
Cc1ccccc1-c1ccc(C[NH+]2CCC(=O)N(Cc3ccncc3)CC2)cc1 Cc1ccccc1[*:1] O=C1CC[NH+](CCN1Cc1ccncc1)Cc1ccc(cc1)[*:1]
Cc1ccccc1-c1ccc(C[NH+]2CCC(=O)N(Cc3ccncc3)CC2)cc1 c1cc(ccn1)[*:1] Cc1ccccc1-c1ccc(cc1)C[NH+]1CCC(=O)N(CC1)C[*:1]
O=C(OCC(=O)N1CCCC1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 O=C(N1CCCC1)[*:1] O=C(OC[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)cc1F
O=C(OCC(=O)N1CCCC1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 Fc1ccc(c(F)c1)[*:1] O=C(OCC(=O)N1CCCC1)[C@H]1CC(=O)N(C1)[*:1]
O=C(OCC(=O)N1CCCC1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 O=C(C[*:1])N1CCCC1 O=C(O[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)cc1F
C[C@@H](Sc1nnc(COc2ccc(F)cc2)o1)C(=O)N(C)C Fc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(CO[*:1])o1)C(=O)N(C)C
C[C@@H](Sc1nnc(COc2ccc(F)cc2)o1)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](Sc1nnc(COc2ccc(F)cc2)o1)[*:1]
C[C@@H](Sc1nnc(COc2ccc(F)cc2)o1)C(=O)N(C)C C[C@@H](C(=O)N(C)C)[*:1] Fc1ccc(cc1)OCc1nnc(o1)S[*:1]
CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(C(=O)c1ccn3nnnc3c1)C2 CCOC(=O)[*:1] O=C(c1ccn2nnnc2c1)N1CC[C@H]2[NH2+]CCC[C@]2(C1)[*:1]
Cc1cnc(CNC(=O)N(C)[C@@H]2CCCc3nc(C)sc32)s1 Cc1cnc(s1)[*:1] Cc1nc2CCC[C@H](c2s1)N(C)C(=O)NC[*:1]
Cc1cnc(CNC(=O)N(C)[C@@H]2CCCc3nc(C)sc32)s1 Cc1cnc(C[*:1])s1 Cc1nc2CCC[C@H](c2s1)N(C)C(=O)N[*:1]
COC(=O)[C@]1(F)CCN(Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 COC(=O)[*:1] Cn1cc(CN2CC[C@@](F)(C2)[*:1])c(n1)-c1ccc2OCCCOc2c1
O=S(=O)(NCC[C@@H](O)C1CC1)C1CC1 C1CC1[*:1] O=S(=O)(NCC[C@@H](O)[*:1])C1CC1
O=S(=O)(NCC[C@@H](O)C1CC1)C1CC1 C1CC1[*:1] O=S(=O)(NCC[C@@H](O)C1CC1)[*:1]
Cc1ccc(CN2CCN(C(=O)[C@H](C)n3cnc4ccccc43)CC2=O)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](C(=O)N1CCN(C(=O)C1)[*:1])n1cnc2ccccc21
Cc1ccc(CN2CCN(C(=O)[C@H](C)n3cnc4ccccc43)CC2=O)cc1 c1ccc2c(c1)ncn2[*:1] Cc1ccc(cc1)CN1CCN(CC1=O)C(=O)[C@H](C)[*:1]
Cc1ccc(CN2CCN(C(=O)[C@H](C)n3cnc4ccccc43)CC2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCN(C[*:1])C(=O)C1)n1cnc2ccccc21
O=C(NCCCC1CCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 C1CCC(C1)CC[*:1] O=C(NC[*:1])C(=O)Nc1cccc(c1)N1CCCC1=O
O=C(NCCCC1CCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 C1CCC(C1)[*:1] O=C(NCCC[*:1])C(=O)Nc1cccc(c1)N1CCCC1=O
O=C(NCCCC1CCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 C1CCC(C1)C[*:1] O=C(NCC[*:1])C(=O)Nc1cccc(c1)N1CCCC1=O
O=C(NCCCC1CCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 O=C1CCCN1[*:1] O=C(NCCCC1CCCC1)C(=O)Nc1cccc(c1)[*:1]
O=C(NCCCC1CCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 C1CCC(C1)CCC[*:1] O=C(Nc1cccc(c1)N1CCCC1=O)C(=O)N[*:1]
CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 CC(C)(C)C[*:1] O=C(N1CCC(CC1)[NH2+][C@@H]1CCCc2ccccc21)[*:1]
CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 CC(C)(C)[*:1] O=C(C[*:1])N1CCC(CC1)[NH2+][C@@H]1CCCc2ccccc21
O=C1CCCN1c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 O=C1CCCN1[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC[C@@H]1c1nnc2ccccn12
O=C1CCCN1c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 c1ccn2c(nnc2c1)[*:1] O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1[*:1]
CCN1C(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2S1(=O)=O c1ccc(cc1)[*:1] CCN1C(=O)c2ccc(cc2S1(=O)=O)C(=O)N(C)[C@H](C)[*:1]
CCN1C(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2S1(=O)=O C[C@H](c1ccccc1)[*:1] CCN1C(=O)c2ccc(cc2S1(=O)=O)C(=O)N(C)[*:1]
CCC(=O)OC1(C#CCOc2ccc(Cl)cc2)CC[NH+](C)CC1 Clc1ccc(cc1)[*:1] CCC(=O)OC1(C#CCO[*:1])CC[NH+](C)CC1
CCC(=O)OC1(C#CCOc2ccc(Cl)cc2)CC[NH+](C)CC1 CCC(=O)O[*:1] C[NH+]1CCC(C#CCOc2ccc(Cl)cc2)(CC1)[*:1]
CC(C)[NH2+][C@@H](C)[C@H](C)Cc1ccc(Br)cc1F CC(C)[*:1] C[C@H]([NH2+][*:1])[C@H](C)Cc1ccc(Br)cc1F
CCN(CC)C(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)[*:1] CCN(CC)C(=O)Nc1ccc(O[*:1])c(F)c1
CCN(CC)C(=O)Nc1ccc(OC(F)F)c(F)c1 FC(F)O[*:1] CCN(CC)C(=O)Nc1ccc(c(F)c1)[*:1]
CN(CCCc1cnn(C)c1)c1nc(-c2ccncc2)nc2c1cnn2C c1cc(ccn1)[*:1] CN(CCCc1cnn(C)c1)c1nc(nc2c1cnn2C)[*:1]
CN(CCCc1cnn(C)c1)c1nc(-c2ccncc2)nc2c1cnn2C Cn1cc(cn1)CCC[*:1] CN(c1nc(nc2c1cnn2C)-c1ccncc1)[*:1]
CN(CCCc1cnn(C)c1)c1nc(-c2ccncc2)nc2c1cnn2C Cn1cc(cn1)[*:1] CN(CCC[*:1])c1nc(nc2c1cnn2C)-c1ccncc1
CN(CCCc1cnn(C)c1)c1nc(-c2ccncc2)nc2c1cnn2C Cn1cc(cn1)CC[*:1] CN(C[*:1])c1nc(nc2c1cnn2C)-c1ccncc1
CN(CCCc1cnn(C)c1)c1nc(-c2ccncc2)nc2c1cnn2C Cn1cc(cn1)C[*:1] CN(CC[*:1])c1nc(nc2c1cnn2C)-c1ccncc1
O=C1N(Cc2ccccc2F)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 Fc1ccccc1[*:1] O=C1N(C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1
O=C1N(Cc2ccccc2F)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 Fc1ccccc1C[*:1] O=C1N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
O=C1N(Cc2ccccc2F)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 c1ccc(cc1)[*:1] O=C1N(Cc2ccccc2F)[C@@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
Cc1cncc(NC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 Cc1cncc(c1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C[C@H]1CCCN1C(=O)N[*:1]
O=C(C[NH+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 Fc1ccc(cc1)-n1cc(cn1)C1=CC[NH+](CC1)[*:1]
O=C(C[NH+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCOCC1 Fc1ccc(cc1)[*:1] O=C(C[NH+]1CC=C(CC1)c1cnn(c1)[*:1])N1CCOCC1
O=C(C[NH+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] Fc1ccc(cc1)-n1cc(cn1)C1=CC[NH+](CC1)C[*:1]
COc1ccc(-n2ccnc2SCC(=O)N[C@H](C)C(C)C)cc1 CC(C)[C@@H](C)[*:1] COc1ccc(cc1)-n1ccnc1SCC(=O)N[*:1]
COc1ccc(-n2ccnc2SCC(=O)N[C@H](C)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)-n1ccnc1SCC(=O)N[C@H](C)[*:1]
C[C@H](CNC(=O)C[C@H]1CSCCS1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)C[C@H]1CSCCS1)c1nc(no1)[*:1]
CCC(=O)NNC(=O)CSc1nc2c(C)c(C)ccc2cc1CC CCC(=O)NNC(=O)[*:1] CCc1cc2ccc(C)c(C)c2nc1SC[*:1]
C[C@@H](NC(=O)Cc1cccc(F)c1F)c1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] C[C@@H](NC(=O)Cc1cccc(F)c1F)c1nc(cs1)[*:1]
C[C@@H](NC(=O)Cc1cccc(F)c1F)c1nc(-c2cccnc2)cs1 Fc1cccc(c1F)[*:1] C[C@@H](NC(=O)C[*:1])c1nc(cs1)-c1cccnc1
COc1ccccc1-c1nnc(SCC(=O)NCc2ccccc2C)n1C COc1ccccc1[*:1] Cc1ccccc1CNC(=O)CSc1nnc(n1C)[*:1]
COc1ccccc1-c1nnc(SCC(=O)NCc2ccccc2C)n1C Cc1ccccc1[*:1] COc1ccccc1-c1nnc(SCC(=O)NC[*:1])n1C
COc1ccccc1-c1nnc(SCC(=O)NCc2ccccc2C)n1C Cc1ccccc1C[*:1] COc1ccccc1-c1nnc(SCC(=O)N[*:1])n1C
CCSC[C@H](C)N(C)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 CCSC[*:1] C[C@H](N(C)C(=O)N[C@H](c1ccc2OCCOc2c1)C1CC1)[*:1]
CCSC[C@H](C)N(C)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 C1CC1[*:1] CCSC[C@H](C)N(C)C(=O)N[C@H](c1ccc2OCCOc2c1)[*:1]
CCSC[C@H](C)N(C)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 CCS[*:1] C[C@@H](C[*:1])N(C)C(=O)N[C@H](c1ccc2OCCOc2c1)C1CC1
Cc1cccc(C)c1OC1CN(c2ccnc(C(=O)N3CCOCC3)c2)C1 Cc1cccc(C)c1[*:1] O=C(c1cc(ccn1)N1CC(C1)O[*:1])N1CCOCC1
Cc1cccc(C)c1OC1CN(c2ccnc(C(=O)N3CCOCC3)c2)C1 O=C(N1CCOCC1)[*:1] Cc1cccc(C)c1OC1CN(C1)c1ccnc(c1)[*:1]
Cc1cccc(C)c1OC1CN(c2ccnc(C(=O)N3CCOCC3)c2)C1 Cc1cccc(C)c1O[*:1] O=C(c1cc(ccn1)N1CC(C1)[*:1])N1CCOCC1
O=C([O-])[C@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H](c2ccccc2)N1 c1ccc(cc1)[*:1] O=C([O-])[C@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H](N1)[*:1]
O=C([O-])[C@H]1CC2=c3ccccc3=[NH+][C@H]2[C@@H](c2ccccc2)N1 O=C([O-])[*:1] c1ccc(cc1)[C@H]1N[C@H](CC2=c3ccccc3=[NH+][C@H]21)[*:1]
Cc1ccc(C)c(N([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N(S(C)(=O)=O)[*:1]
Cc1cc2ncc([C@@H](C)NCc3ccc(Cl)nc3)c(C)n2n1 Clc1ccc(cn1)[*:1] Cc1cc2ncc(c(C)n2n1)[C@@H](C)NC[*:1]
CC1(CNC(=O)c2scnc2C2CC2)CCCC1 CC1(CCCC1)[*:1] O=C(NC[*:1])c1scnc1C1CC1
CC1(CNC(=O)c2scnc2C2CC2)CCCC1 C1CC1[*:1] CC1(CCCC1)CNC(=O)c1scnc1[*:1]
CCOC(=O)c1c(C2CC2)csc1NC(C)=O CCOC(=O)[*:1] CC(=O)Nc1scc(c1[*:1])C1CC1
CCOC(=O)c1c(C2CC2)csc1NC(C)=O CC(=O)N[*:1] CCOC(=O)c1c(csc1[*:1])C1CC1
CCOC(=O)c1c(C2CC2)csc1NC(C)=O C1CC1[*:1] CCOC(=O)c1c(csc1NC(C)=O)[*:1]
O=C(COc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC(CC1)c1nc2ccccc2s1
O=C(COc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC(CC1)c1nc2ccccc2s1
O=C(COc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 c1ccc(cc1)OC[*:1] O=C(N1CCC(CC1)c1nc2ccccc2s1)[*:1]
O=C(NCc1nnnn1-c1ccccc1)[C@H]1NCCc2[nH]c[nH+]c21 c1ccc(cc1)[*:1] O=C(NCc1nnnn1[*:1])[C@H]1NCCc2[nH]c[nH+]c21
CN(C)C(=O)c1c[nH]nc1[C@]1(C)CCCN(Cc2c[nH]c[nH+]2)C1 CN(C)C(=O)[*:1] C[C@]1(CCCN(Cc2c[nH]c[nH+]2)C1)c1n[nH]cc1[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1 COc1ccccc1[*:1] CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1 Fc1cccc(Cl)c1[*:1] COc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)N(C)C[*:1]
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1 Fc1cccc(Cl)c1C[*:1] COc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)N(C)[*:1]
CCOc1cc2cc(C=O)c(Cl)nc2cc1OC CCO[*:1] COc1cc2nc(Cl)c(C=O)cc2cc1[*:1]
CCCCc1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 CCC[*:1] O=C1C[C@@H](C(=O)N1c1ccc(cc1)C[*:1])N1CCOCC1
CCCCc1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 CCCC[*:1] O=C1C[C@@H](C(=O)N1c1ccc(cc1)[*:1])N1CCOCC1
CCCCc1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 C1CN(CCO1)[*:1] CCCCc1ccc(cc1)N1C(=O)C[C@H](C1=O)[*:1]
CCCS(=O)(=O)N1CCc2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2C1 CCC[*:1] O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2CCN(Cc2c1)S(=O)(=O)[*:1]
CCCS(=O)(=O)N1CCc2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2C1 O=c1oc2ccccc2n1[*:1] CCCS(=O)(=O)N1CCc2ccc(cc2C1)NC(=O)C[*:1]
Cc1cc(C)cc(NC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 Cc1cc(C)nc(n1)[*:1] Cc1cc(C)cc(c1)NC(=O)Nc1ccc(cc1)S(=O)(=O)N[*:1]
Cc1cc(C)cc(NC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)N[*:1]
O=C([O-])[C@@H](CCCO)Cc1cccc(Br)c1 OCCC[*:1] O=C([O-])[C@@H](Cc1cccc(Br)c1)[*:1]
O=C([O-])[C@@H](CCCO)Cc1cccc(Br)c1 OCC[*:1] O=C([O-])[C@H](Cc1cccc(Br)c1)C[*:1]
O=C([O-])[C@@H](CCCO)Cc1cccc(Br)c1 O=C([O-])[*:1] OCCC[C@@H](Cc1cccc(Br)c1)[*:1]
COC(=O)C[C@H](NS(C)(=O)=O)C(=O)OC COC(=O)C[*:1] COC(=O)[C@@H](NS(C)(=O)=O)[*:1]
COC(=O)C[C@H](NS(C)(=O)=O)C(=O)OC COC(=O)[*:1] COC(=O)C[C@H](NS(C)(=O)=O)[*:1]
COC(=O)C[C@H](NS(C)(=O)=O)C(=O)OC COC(=O)[*:1] COC(=O)[C@H](C[*:1])NS(C)(=O)=O
COC(=O)C[C@H](NS(C)(=O)=O)C(=O)OC CS(=O)(=O)N[*:1] COC(=O)C[C@H](C(=O)OC)[*:1]
O=C(CN1CC(=O)N2CCC[C@H]2C1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1[C@@H]2CCCN2C(=O)CN1CC(=O)[*:1]
COC(=O)[C@@]1(C)C[C@@H](CO)[C@@H](c2cccc(F)c2)[NH2+]1 COC(=O)[*:1] C[C@]1(C[C@@H](CO)[C@H]([NH2+]1)c1cccc(F)c1)[*:1]
CCC[C@@H](C)NC(=O)COc1cccc(Br)c1 CCC[C@@H](C)[*:1] O=C(COc1cccc(Br)c1)N[*:1]
CCC[C@@H](C)NC(=O)COc1cccc(Br)c1 CCC[*:1] C[C@@H](NC(=O)COc1cccc(Br)c1)[*:1]
COc1cccc(Oc2ccc(N/C=C3/CCC[C@H](C)C3=O)cc2)c1 COc1cccc(c1)[*:1] C[C@H]1CCC/C(=C/Nc2ccc(cc2)O[*:1])C1=O
COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(C(=O)c1cc(C)cc(C)c1)CC2 Cc1cc(C)cc(c1)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)Cc1nonc1C)C(=O)[*:1]
COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(C(=O)c1cc(C)cc(C)c1)CC2 Cc1nonc1C[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)[*:1])C(=O)c1cc(C)cc(C)c1
COc1cc(=O)n2c(c1C(=O)N(C)Cc1nonc1C)CCN(C(=O)c1cc(C)cc(C)c1)CC2 Cc1nonc1[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)C[*:1])C(=O)c1cc(C)cc(C)c1
COC[C@H](NC(=O)C1=COCCC1)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)[*:1])C1=COCCC1
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1C1CCCCC1 Cc1noc(C)c1[*:1] O=C(Nc1ccnn1C1CCCCC1)c1cccnc1SC[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1C1CCCCC1 Cc1noc(C)c1CS[*:1] O=C(Nc1ccnn1C1CCCCC1)c1cccnc1[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1C1CCCCC1 Cc1noc(C)c1C[*:1] O=C(Nc1ccnn1C1CCCCC1)c1cccnc1S[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1C1CCCCC1 C1CCC(CC1)[*:1] Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1[*:1]
COc1ccc(-c2cc3c(n(C)c2=O)CCN(C(=O)[C@@H](C)n2cncn2)C3)c2ccc(C)nc12 c1ncn(n1)[*:1] COc1ccc(-c2cc3CN(CCc3n(C)c2=O)C(=O)[C@@H](C)[*:1])c2ccc(C)nc12
Cc1ccccc1CCCn1nc(C(N)=O)ccc1=O NC(=O)[*:1] Cc1ccccc1CCCn1nc(ccc1=O)[*:1]
CC(C)C[C@@H](C)NC(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)C[*:1] C[C@@H](NC(=O)c1nc(n[nH]1)C(C)(C)C)[*:1]
CC(C)C[C@@H](C)NC(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)[*:1] C[C@H](C[*:1])NC(=O)c1nc(n[nH]1)C(C)(C)C
CC(C)C[C@@H](C)NC(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)(C)[*:1] CC(C)C[C@@H](C)NC(=O)c1nc(n[nH]1)[*:1]
CC(C)C[C@@H](C)NC(=O)c1nc(C(C)(C)C)n[nH]1 CC(C)C[C@@H](C)[*:1] CC(C)(C)c1n[nH]c(n1)C(=O)N[*:1]
C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)N(C)[*:1]
COC[C@@H](C)N(C)C(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] COC[C@@H](C)N(C)C(=O)N[C@@H]1C=C[C@@H](C1)[*:1]
COC[C@@H](C)N(C)C(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 COC[*:1] C[C@@H](N(C)C(=O)N[C@@H]1C=C[C@H](C1)C(=O)[O-])[*:1]
COC[C@@H](C)N(C)C(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 COC[C@@H](C)[*:1] CN(C(=O)N[C@@H]1C=C[C@H](C1)C(=O)[O-])[*:1]
CCOC(=O)C[NH2+]CC1CC1 C1CC1[*:1] CCOC(=O)C[NH2+]C[*:1]
CN(Cc1nccs1)C(=O)c1cccc2cn[nH]c12 c1csc(n1)[*:1] CN(C[*:1])C(=O)c1cccc2cn[nH]c12
CN(Cc1nccs1)C(=O)c1cccc2cn[nH]c12 c1csc(C[*:1])n1 CN(C(=O)c1cccc2cn[nH]c12)[*:1]
CCn1c([C@H](CC(C)C)NC(=O)Cc2c[nH]c3ccccc23)nc2cccnc21 c1ccc2c(c[nH]c2c1)[*:1] CCn1c(nc2cccnc21)[C@H](CC(C)C)NC(=O)C[*:1]
CCn1c([C@H](CC(C)C)NC(=O)Cc2c[nH]c3ccccc23)nc2cccnc21 CC(C)C[*:1] CCn1c(nc2cccnc21)[C@H](NC(=O)Cc1c[nH]c2ccccc12)[*:1]
CCn1c([C@H](CC(C)C)NC(=O)Cc2c[nH]c3ccccc23)nc2cccnc21 CC(C)[*:1] CCn1c(nc2cccnc21)[C@H](C[*:1])NC(=O)Cc1c[nH]c2ccccc12
Cc1ccccc1-c1nc2ccc(NC(=O)c3ccco3)cc2o1 c1coc(c1)[*:1] Cc1ccccc1-c1nc2ccc(cc2o1)NC(=O)[*:1]
Cc1ccccc1-c1nc2ccc(NC(=O)c3ccco3)cc2o1 O=C(N[*:1])c1ccco1 Cc1ccccc1-c1nc2ccc(cc2o1)[*:1]
Cc1ccccc1-c1nc2ccc(NC(=O)c3ccco3)cc2o1 Cc1ccccc1[*:1] O=C(Nc1ccc2nc(oc2c1)[*:1])c1ccco1
COC(=O)c1cccc(S(=O)(=O)[N-]c2cccnc2C)c1 COC(=O)[*:1] Cc1ncccc1[N-]S(=O)(=O)c1cccc(c1)[*:1]
COC(=O)c1cccc(S(=O)(=O)[N-]c2cccnc2C)c1 Cc1ncccc1[*:1] COC(=O)c1cccc(c1)S(=O)(=O)[N-][*:1]
CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cnc(Cl)c(Cl)c1 CN(C)C(=O)[*:1] O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@H]1[*:1]
O=C(NCc1ccc(OCC(F)(F)F)cc1)NOC1CCCC1 FC(F)(F)CO[*:1] O=C(NCc1ccc(cc1)[*:1])NOC1CCCC1
O=C(NCc1ccc(OCC(F)(F)F)cc1)NOC1CCCC1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)OC[*:1])NOC1CCCC1
O=C(NCc1ccc(OCC(F)(F)F)cc1)NOC1CCCC1 FC(F)(F)C[*:1] O=C(NCc1ccc(cc1)O[*:1])NOC1CCCC1
O=C(NCc1ccc(OCC(F)(F)F)cc1)NOC1CCCC1 C1CCC(C1)[*:1] O=C(NCc1ccc(cc1)OCC(F)(F)F)NO[*:1]
O=c1c2sc3nc(N4CCOCC4)c4c(c3c2ncn1CCc1ccccc1)CCCC4 c1ccc(cc1)CC[*:1] O=c1c2sc3nc(c4CCCCc4c3c2ncn1[*:1])N1CCOCC1
O=c1c2sc3nc(N4CCOCC4)c4c(c3c2ncn1CCc1ccccc1)CCCC4 C1CN(CCO1)[*:1] O=c1c2sc3nc(c4CCCCc4c3c2ncn1CCc1ccccc1)[*:1]
O=c1c2sc3nc(N4CCOCC4)c4c(c3c2ncn1CCc1ccccc1)CCCC4 c1ccc(cc1)[*:1] O=c1c2sc3nc(c4CCCCc4c3c2ncn1CC[*:1])N1CCOCC1
O=c1c2sc3nc(N4CCOCC4)c4c(c3c2ncn1CCc1ccccc1)CCCC4 c1ccc(cc1)C[*:1] O=c1c2sc3nc(c4CCCCc4c3c2ncn1C[*:1])N1CCOCC1
CCOCc1ccc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cc1 CCO[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Nc1ccc(cc1)C[*:1]
CCOCc1ccc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cc1 CCOC[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Nc1ccc(cc1)[*:1]
Cc1ncccc1C(=O)NCCOCC(=O)[O-] O=C([O-])C[*:1] Cc1ncccc1C(=O)NCCO[*:1]
Cc1ncccc1C(=O)NCCOCC(=O)[O-] O=C([O-])[*:1] Cc1ncccc1C(=O)NCCOC[*:1]
Cc1ncccc1C(=O)NCCOCC(=O)[O-] O=C([O-])CO[*:1] Cc1ncccc1C(=O)NCC[*:1]
C[C@@H](NCCc1nc(-c2ccccn2)cs1)c1cccnc1Cl Clc1ncccc1[*:1] C[C@@H](NCCc1nc(cs1)-c1ccccn1)[*:1]
C[C@@H](NCCc1nc(-c2ccccn2)cs1)c1cccnc1Cl c1ccc(nc1)[*:1] C[C@@H](NCCc1nc(cs1)[*:1])c1cccnc1Cl
O[C@H](Cc1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O[C@H](Cc1ccc(F)c(F)c1)c1cccc(c1)[*:1]
CC[NH2+][C@H](Cc1nccs1)[C@@](C)(CC)N1CCOCC1 C1CN(CCO1)[*:1] CC[NH2+][C@H](Cc1nccs1)[C@@](C)(CC)[*:1]
CC[NH2+][C@H](Cc1nccs1)[C@@](C)(CC)N1CCOCC1 c1csc(n1)[*:1] CC[NH2+][C@H](C[*:1])[C@@](C)(CC)N1CCOCC1
CC[NH2+][C@H](Cc1nccs1)[C@@](C)(CC)N1CCOCC1 c1csc(C[*:1])n1 CC[NH2+][C@H]([C@@](C)(CC)N1CCOCC1)[*:1]
N#Cc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 N#Cc1ccc(cc1)[*:1] O=C(N1CCC[C@@H](C1)c1nnc2CCCCCn21)[*:1]
O=C1C[C@@H]([NH2+]CCC2=CCCCC2)C(=O)N1c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] O=C1C[C@@H]([NH2+]CCC2=CCCCC2)C(=O)N1[*:1]
CC(C)[C@@H](NC(=O)[C@H]1CC=CCC1)C(=O)N1CCOCC1 CC(C)[*:1] O=C(N[C@@H](C(=O)N1CCOCC1)[*:1])[C@H]1CC=CCC1
CN(Cc1nccs1)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 CC(C)(C)C[*:1] CN(Cc1nccs1)C(=O)c1cccc(c1)-c1noc(n1)[*:1]
CN(Cc1nccs1)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 CC(C)(C)[*:1] CN(Cc1nccs1)C(=O)c1cccc(c1)-c1noc(C[*:1])n1
CN(Cc1nccs1)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 c1csc(n1)[*:1] CN(C[*:1])C(=O)c1cccc(c1)-c1noc(CC(C)(C)C)n1
CN(Cc1nccs1)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 c1csc(C[*:1])n1 CN(C(=O)c1cccc(c1)-c1noc(CC(C)(C)C)n1)[*:1]
C#Cc1cccc(NC(=O)C(=O)NCc2ccccc2Oc2ccccc2)c1 c1ccc(cc1)[*:1] C#Cc1cccc(c1)NC(=O)C(=O)NCc1ccccc1O[*:1]
C#Cc1cccc(NC(=O)C(=O)NCc2ccccc2Oc2ccccc2)c1 C#Cc1cccc(c1)[*:1] O=C(NCc1ccccc1Oc1ccccc1)C(=O)N[*:1]
C#Cc1cccc(NC(=O)C(=O)NCc2ccccc2Oc2ccccc2)c1 c1ccc(cc1)O[*:1] C#Cc1cccc(c1)NC(=O)C(=O)NCc1ccccc1[*:1]
O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CCOCC1 c1coc(c1)[*:1] O=C(c1ccc2C(=O)N(C[*:1])C(=O)c2c1)N1CCOCC1
O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C1c2ccc(cc2C(=O)N1Cc1ccco1)[*:1]
O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CCOCC1 c1coc(c1)C[*:1] O=C(c1ccc2C(=O)N(C(=O)c2c1)[*:1])N1CCOCC1
COC(=O)[C@@H](NC(=O)CN(C)C(C)=O)c1ccc(F)cc1F CC(=O)N(C)C[*:1] COC(=O)[C@@H](NC(=O)[*:1])c1ccc(F)cc1F
COC(=O)[C@@H](NC(=O)CN(C)C(C)=O)c1ccc(F)cc1F COC(=O)[*:1] CC(=O)N(C)CC(=O)N[C@@H](c1ccc(F)cc1F)[*:1]
COC(=O)[C@@H](NC(=O)CN(C)C(C)=O)c1ccc(F)cc1F CC(=O)N(C)[*:1] COC(=O)[C@@H](NC(=O)C[*:1])c1ccc(F)cc1F
CC(C)(CO)CNC(=O)Nc1ccn(-c2ncccc2Cl)n1 CC(C)(CO)[*:1] O=C(NC[*:1])Nc1ccn(n1)-c1ncccc1Cl
CC(C)(CO)CNC(=O)Nc1ccn(-c2ncccc2Cl)n1 Clc1cccnc1[*:1] CC(C)(CO)CNC(=O)Nc1ccn(n1)[*:1]
CC(C)(CO)CNC(=O)Nc1ccn(-c2ncccc2Cl)n1 CC(C)(CO)C[*:1] O=C(Nc1ccn(n1)-c1ncccc1Cl)N[*:1]
CCc1cccc(OC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 C1CC1[*:1] CCc1cccc(c1)OC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
Cc1cccc(-n2c(SCC(=O)N[C@@]3(C)CCS(=O)(=O)C3)nc3ccccc3c2=O)n1 Cc1cccc(n1)[*:1] C[C@@]1(CCS(=O)(=O)C1)NC(=O)CSc1nc2ccccc2c(=O)n1[*:1]
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCCC1 c1csc(c1)[*:1] C=CCN(C[*:1])C(=O)[C@@H](C)[NH+]1CCCC1
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCCC1 c1csc(c1)C[*:1] C=CCN(C(=O)[C@@H](C)[NH+]1CCCC1)[*:1]
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCCC1 C=CC[*:1] C[C@H](C(=O)N(Cc1cccs1)[*:1])[NH+]1CCCC1
[NH3+][C@@H]1C=C(Cc2nc(-c3ccccc3)cs2)CCC1 c1ccc(cc1)[*:1] [NH3+][C@@H]1C=C(CCC1)Cc1nc(cs1)[*:1]
NC(=O)[C@@H]1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)C1 NC(=O)[*:1] O=C(NCc1ccc(F)cc1C(F)(F)F)N1CC[C@H](C1)[*:1]
NC(=O)[C@@H]1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)C1 FC(F)(F)[*:1] NC(=O)[C@@H]1CCN(C1)C(=O)NCc1ccc(F)cc1[*:1]
CCC[C@@H](C)C(=O)NC[C@@](C)(O)c1ccc(F)cc1F CCC[C@@H](C)[*:1] C[C@@](O)(CNC(=O)[*:1])c1ccc(F)cc1F
CCC[C@@H](C)C(=O)NC[C@@](C)(O)c1ccc(F)cc1F CCC[*:1] C[C@@H](C(=O)NC[C@@](C)(O)c1ccc(F)cc1F)[*:1]
CCc1nn(C)cc1CNC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 O[C@H](C[*:1])c1ccccc1 CCc1nn(C)cc1CNC(=O)N1CCOC[C@@H]1[*:1]
CCc1nn(C)cc1CNC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1CNC(=O)N1CCOC[C@H]1C[C@@H](O)[*:1]
CCc1nn(C)cc1CNC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 O[C@@H](c1ccccc1)[*:1] CCc1nn(C)cc1CNC(=O)N1CCOC[C@H]1C[*:1]
CCc1nn(C)cc1CNC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 CCc1nn(C)cc1C[*:1] O=C(N[*:1])N1CCOC[C@H]1C[C@@H](O)c1ccccc1
CCc1nn(C)cc1CNC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 CCc1nn(C)cc1[*:1] O=C(NC[*:1])N1CCOC[C@H]1C[C@@H](O)c1ccccc1
C[C@@H](C(=O)N(CCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 c1ccc(cc1)[*:1] C[C@@H](C(=O)N(CCC(N)=O)[*:1])c1ccc2ccccc2c1
C[C@@H](C(=O)N(CCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 NC(=O)[*:1] C[C@@H](C(=O)N(CC[*:1])c1ccccc1)c1ccc2ccccc2c1
C[C@@H](C(=O)N(CCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 NC(=O)CC[*:1] C[C@@H](C(=O)N(c1ccccc1)[*:1])c1ccc2ccccc2c1
C[C@@H](C(=O)N(CCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 NC(=O)C[*:1] C[C@@H](C(=O)N(C[*:1])c1ccccc1)c1ccc2ccccc2c1
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1[*:1]
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1nc2ccccc2[nH]1 CCOC(=O)[*:1] CCOC(=O)C1=C(C)NC(C)=C(C1c1nc2ccccc2[nH]1)[*:1]
CCCOc1ccc([C@H](O)[C@@](C)(CC)C[NH3+])cc1 CCC[*:1] CC[C@@](C)(C[NH3+])[C@@H](O)c1ccc(cc1)O[*:1]
CCCOc1ccc([C@H](O)[C@@](C)(CC)C[NH3+])cc1 CCCO[*:1] CC[C@@](C)(C[NH3+])[C@@H](O)c1ccc(cc1)[*:1]
N#CC1=C(N)OC2=NC=NC(=O)[C@@H]2[C@@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] N#CC1=C(N)OC2=NC=NC(=O)[C@@H]2[C@@H]1c1cccc(c1)[*:1]
C[NH+](C)Cc1cccc(CNC(=O)NC[C@H](O)c2ccccc2F)c1 Fc1ccccc1[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)NC[C@H](O)[*:1]
C[C@@H](SCCn1cc[nH+]c1)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] C[C@@H](SCCn1cc[nH+]c1)c1nc(N)nc(n1)[*:1]
C[C@@H](SCCn1cc[nH+]c1)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](SCCn1cc[nH+]c1)c1nc(N)nc(n1)N[*:1]
CCOC(=O)C1=C(C)[C@@H](C(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)C(C)=N1 CCOC(=O)[*:1] CC1=NC(=C(C)[C@H]1C(=O)N1CCN2C(=O)CNC(=O)[C@H]2C1)[*:1]
COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C c1ccc(cc1)C[*:1] COC(=O)c1c(NC(=O)[*:1])sc2c1CC(C)(C)[NH2+]C2(C)C
COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C c1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)C[*:1])sc2c1CC(C)(C)[NH2+]C2(C)C
COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C COC(=O)[*:1] CC1(C)Cc2c(sc(NC(=O)Cc3ccccc3)c2[*:1])C(C)(C)[NH2+]1
Cc1cc(C[C@H](C)[NH2+][C@H](Cc2ccccc2)C2CC2)n[nH]1 C1CC1[*:1] Cc1cc(C[C@H](C)[NH2+][C@H](Cc2ccccc2)[*:1])n[nH]1
Cc1cc(C[C@H](C)[NH2+][C@H](Cc2ccccc2)C2CC2)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@@H](C[*:1])[NH2+][C@H](Cc1ccccc1)C1CC1
Cc1cc(C[C@H](C)[NH2+][C@H](Cc2ccccc2)C2CC2)n[nH]1 c1ccc(cc1)[*:1] Cc1cc(C[C@H](C)[NH2+][C@H](C[*:1])C2CC2)n[nH]1
Cc1cc(C[C@H](C)[NH2+][C@H](Cc2ccccc2)C2CC2)n[nH]1 c1ccc(cc1)C[*:1] Cc1cc(C[C@H](C)[NH2+][C@H](C2CC2)[*:1])n[nH]1
Cc1cc(C[C@H](C)[NH2+][C@H](Cc2ccccc2)C2CC2)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)[*:1]
Cc1nn(C)cc1[C@H](C)Nc1nccc(OCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1nn(C)cc1[C@H](C)Nc1nccc(n1)OC[*:1]
Cc1nn(C)cc1[C@H](C)Nc1nccc(OCc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1nn(C)cc1[C@H](C)Nc1nccc(n1)O[*:1]
Cc1nn(C)cc1[C@H](C)Nc1nccc(OCc2ccccc2)n1 Cc1nn(C)cc1[*:1] C[C@H](Nc1nccc(n1)OCc1ccccc1)[*:1]
Cc1nn(C)cc1[C@H](C)Nc1nccc(OCc2ccccc2)n1 c1ccc(cc1)CO[*:1] Cc1nn(C)cc1[C@H](C)Nc1nccc(n1)[*:1]
COC(=O)[C@H](CC[NH+]1C[C@@H](C)[C@H](C)C1)NC(C)C CC(C)[*:1] COC(=O)[C@H](CC[NH+]1C[C@@H](C)[C@H](C)C1)N[*:1]
COC(=O)[C@H](CC[NH+]1C[C@@H](C)[C@H](C)C1)NC(C)C COC(=O)[*:1] CC(C)N[C@@H](CC[NH+]1C[C@@H](C)[C@H](C)C1)[*:1]
COC(=O)[C@H](CC[NH+]1C[C@@H](C)[C@H](C)C1)NC(C)C CC(C)N[*:1] COC(=O)[C@H](CC[NH+]1C[C@@H](C)[C@H](C)C1)[*:1]
CC[C@H](C)[C@@H](NC(=O)c1csc(NC(C)=O)n1)C(=O)[O-] CC(=O)N[*:1] CC[C@H](C)[C@@H](NC(=O)c1csc(n1)[*:1])C(=O)[O-]
CC[C@H](C)[C@@H](NC(=O)c1csc(NC(C)=O)n1)C(=O)[O-] O=C([O-])[*:1] CC[C@H](C)[C@@H](NC(=O)c1csc(n1)NC(C)=O)[*:1]
CC[C@H](C)[C@@H](NC(=O)c1csc(NC(C)=O)n1)C(=O)[O-] CC[C@H](C)[*:1] CC(=O)Nc1nc(cs1)C(=O)N[C@@H](C(=O)[O-])[*:1]
CC(C)COCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C CC(C)CO[*:1] C[C@H]1C[C@H](CN1C(=O)CC[*:1])c1ccc(F)cc1
CC(C)COCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C CC(C)COCC[*:1] C[C@H]1C[C@H](CN1C(=O)[*:1])c1ccc(F)cc1
CC(C)COCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C CC(C)C[*:1] C[C@H]1C[C@H](CN1C(=O)CCO[*:1])c1ccc(F)cc1
CC(C)COCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C CC(C)COC[*:1] C[C@H]1C[C@H](CN1C(=O)C[*:1])c1ccc(F)cc1
CC(C)COCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C CC(C)[*:1] C[C@H]1C[C@H](CN1C(=O)CCOC[*:1])c1ccc(F)cc1
CC(C)COCCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C Fc1ccc(cc1)[*:1] CC(C)COCCC(=O)N1C[C@H](C[C@@H]1C)[*:1]
CC(C)C(=O)Nc1ccc(N[C@H]2CCCS[C@H]2C)cc1 CC(C)[*:1] C[C@@H]1SCCC[C@@H]1Nc1ccc(cc1)NC(=O)[*:1]
CC(C)C(=O)Nc1ccc(N[C@H]2CCCS[C@H]2C)cc1 CC(C)C(=O)N[*:1] C[C@@H]1SCCC[C@@H]1Nc1ccc(cc1)[*:1]
O=C(CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)NC[C@H]1CCN(C1)c1ccccc1)N[*:1]
O=C(CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)NC[C@H]1CCN(C1)[*:1])Nc1ccccc1
Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1c(F)cccc1Br Cc1ccccc1[*:1] O=C(Nc1c(F)cccc1Br)[C@@H]1C[C@@H]1[*:1]
COC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3C)o2)sc2c1CC[C@H](C)C2 Cc1ccccc1[*:1] COC(=O)c1c(NC(=O)CSc2nnc(o2)[*:1])sc2C[C@@H](C)CCc21
COC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3C)o2)sc2c1CC[C@H](C)C2 COC(=O)[*:1] Cc1ccccc1-c1nnc(o1)SCC(=O)Nc1sc2C[C@@H](C)CCc2c1[*:1]
CC(=O)c1cccc(NC(=O)c2cn(C3CC3)c3cc(N4CCN(C(C)=O)CC4)c(F)cc3c2=O)c1 CC(=O)c1cccc(c1)NC(=O)[*:1] CC(=O)N1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)[*:1]
CC(=O)c1cccc(NC(=O)c2cn(C3CC3)c3cc(N4CCN(C(C)=O)CC4)c(F)cc3c2=O)c1 CC(=O)N1CCN(CC1)[*:1] CC(=O)c1cccc(c1)NC(=O)c1cn(c2cc(c(F)cc2c1=O)[*:1])C1CC1
CC(=O)c1cccc(NC(=O)c2cn(C3CC3)c3cc(N4CCN(C(C)=O)CC4)c(F)cc3c2=O)c1 CC(=O)[*:1] CC(=O)N1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)c2cn(C3CC3)c3cc(N4CCN(C(C)=O)CC4)c(F)cc3c2=O)c1 C1CC1[*:1] CC(=O)c1cccc(c1)NC(=O)c1cn(c2cc(c(F)cc2c1=O)N1CCN(CC1)C(C)=O)[*:1]
CC(=O)c1cccc(NC(=O)c2cn(C3CC3)c3cc(N4CCN(C(C)=O)CC4)c(F)cc3c2=O)c1 CC(=O)c1cccc(c1)[*:1] CC(=O)N1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)N[*:1]
O=C(Cc1cccs1)N1CCC[C@H](OCc2cccnc2)C1 c1csc(c1)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)OCc1cccnc1
O=C(Cc1cccs1)N1CCC[C@H](OCc2cccnc2)C1 c1csc(c1)C[*:1] O=C(N1CCC[C@@H](C1)OCc1cccnc1)[*:1]
O=C(Cc1cccs1)N1CCC[C@H](OCc2cccnc2)C1 c1cncc(c1)C[*:1] O=C(Cc1cccs1)N1CCC[C@@H](C1)O[*:1]
O=C(Cc1cccs1)N1CCC[C@H](OCc2cccnc2)C1 c1cncc(c1)[*:1] O=C(Cc1cccs1)N1CCC[C@@H](C1)OC[*:1]
O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 c1coc(c1)C[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 c1coc(c1)CC[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] O=C(CCc1ccco1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 c1coc(c1)[*:1] O=C(CC[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
COc1cccc(-c2n[nH]c3c2CN(C(=O)c2ccc(C(C)=O)cc2)CC3)c1 CC(=O)c1ccc(cc1)[*:1] COc1cccc(c1)-c1n[nH]c2CCN(Cc12)C(=O)[*:1]
COc1cccc(-c2n[nH]c3c2CN(C(=O)c2ccc(C(C)=O)cc2)CC3)c1 COc1cccc(c1)[*:1] CC(=O)c1ccc(cc1)C(=O)N1CCc2[nH]nc(c2C1)[*:1]
COc1cccc(-c2n[nH]c3c2CN(C(=O)c2ccc(C(C)=O)cc2)CC3)c1 CC(=O)[*:1] COc1cccc(c1)-c1n[nH]c2CCN(Cc12)C(=O)c1ccc(cc1)[*:1]
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)[*:1]
CCN(C(=O)CN1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)CN1CC[C@@H]([NH3+])[C@H](C)C1)[*:1]
Cc1[nH]c([C@H]2CC(=O)N(C(C)C)C2)[nH+]c1-c1ccccc1F Fc1ccccc1[*:1] Cc1[nH]c([nH+]c1[*:1])[C@H]1CC(=O)N(C1)C(C)C
Cc1[nH]c([C@H]2CC(=O)N(C(C)C)C2)[nH+]c1-c1ccccc1F CC(C)[*:1] Cc1[nH]c([nH+]c1-c1ccccc1F)[C@H]1CC(=O)N(C1)[*:1]
Fc1ccc([C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C2CC2)cc1 C1CC1[*:1] Fc1ccc(cc1)[C@H]([NH2+]C1CCN(CC1)Cc1ccccn1)[*:1]
Fc1ccc([C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C2CC2)cc1 c1ccc(nc1)[*:1] Fc1ccc(cc1)[C@H]([NH2+]C1CCN(CC1)C[*:1])C1CC1
Fc1ccc([C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C2CC2)cc1 c1ccc(C[*:1])nc1 Fc1ccc(cc1)[C@H]([NH2+]C1CCN(CC1)[*:1])C1CC1
Fc1ccc([C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C2CC2)cc1 Fc1ccc(cc1)[*:1] c1ccc(CN2CCC(CC2)[NH2+][C@H](C2CC2)[*:1])nc1
C[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccc(-c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] C[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccc(s1)[*:1]
[NH3+][C@H](CCC(F)(F)F)Cc1ccc(I)cc1 FC(F)(F)[*:1] [NH3+][C@H](CC[*:1])Cc1ccc(I)cc1
[NH3+][C@H](CCC(F)(F)F)Cc1ccc(I)cc1 FC(F)(F)C[*:1] [NH3+][C@@H](Cc1ccc(I)cc1)C[*:1]
COc1cc(Br)cc(C)c1NC(=O)N(C)CCOc1ccccc1 c1ccc(cc1)OC[*:1] COc1cc(Br)cc(C)c1NC(=O)N(C)C[*:1]
COc1cc(Br)cc(C)c1NC(=O)N(C)CCOc1ccccc1 c1ccc(cc1)O[*:1] COc1cc(Br)cc(C)c1NC(=O)N(C)CC[*:1]
COc1cc(Br)cc(C)c1NC(=O)N(C)CCOc1ccccc1 c1ccc(cc1)[*:1] COc1cc(Br)cc(C)c1NC(=O)N(C)CCO[*:1]
C[C@H](C/C([O-])=N/S(=O)(=O)c1ncccn1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](C/C([O-])=N/S(=O)(=O)c1ncccn1)C[*:1]
C[C@H](C/C([O-])=N/S(=O)(=O)c1ncccn1)Cc1ccc(Cl)cc1 c1cnc(nc1)[*:1] C[C@H](C/C([O-])=N/S(=O)(=O)[*:1])Cc1ccc(Cl)cc1
C[C@H](O)CCNC(=O)NCC(C)(C)c1ccncc1 C[C@H](O)[*:1] CC(C)(CNC(=O)NCC[*:1])c1ccncc1
C[C@H](O)CCNC(=O)NCC(C)(C)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](O)CCNC(=O)NCC(C)(C)[*:1]
C[C@H](O)CCNC(=O)NCC(C)(C)c1ccncc1 C[C@H](O)C[*:1] CC(C)(CNC(=O)NC[*:1])c1ccncc1
C[C@H](O)CCNC(=O)NCC(C)(C)c1ccncc1 C[C@H](O)CC[*:1] CC(C)(CNC(=O)N[*:1])c1ccncc1
CC(=O)c1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 CC(=O)[*:1] O=C(CSc1ccc2ccccc2n1)Nc1ccc(cc1)[*:1]
Cc1ccc(F)c(C[NH+](C)CC(=O)Nc2ccc(Br)cn2)c1 Brc1ccc(nc1)[*:1] Cc1ccc(F)c(c1)C[NH+](C)CC(=O)N[*:1]
O=C(NCCCOC[C@H]1CCCO1)c1ncn[nH]1 c1n[nH]c(n1)[*:1] O=C(NCCCOC[C@H]1CCCO1)[*:1]
O=C(NCCCOC[C@H]1CCCO1)c1ncn[nH]1 C1CO[C@H](C1)[*:1] O=C(NCCCOC[*:1])c1ncn[nH]1
O=C(NCCCOC[C@H]1CCCO1)c1ncn[nH]1 C1CO[C@H](C1)C[*:1] O=C(NCCCO[*:1])c1ncn[nH]1
CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(F)F)s2)C1 CCNS(=O)(=O)[*:1] FC(F)c1nnc(s1)N1CC[C@H](C1)[*:1]
CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(F)F)s2)C1 FC(F)[*:1] CCNS(=O)(=O)[C@@H]1CCN(C1)c1nnc(s1)[*:1]
CC(C)C1([NH3+])CN(C(=O)[C@H]2CCO[C@@H]2C)C1 CC(C)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CC([NH3+])(C1)[*:1]
C[C@H](SCc1ccccc1)C(=O)Nc1sccc1C(=O)NC1CC1 c1ccc(cc1)[*:1] C[C@H](SC[*:1])C(=O)Nc1sccc1C(=O)NC1CC1
C[C@H](SCc1ccccc1)C(=O)Nc1sccc1C(=O)NC1CC1 C1CC1[*:1] C[C@H](SCc1ccccc1)C(=O)Nc1sccc1C(=O)N[*:1]
C[C@H](SCc1ccccc1)C(=O)Nc1sccc1C(=O)NC1CC1 c1ccc(cc1)C[*:1] C[C@H](S[*:1])C(=O)Nc1sccc1C(=O)NC1CC1
C[C@H](SCc1ccccc1)C(=O)Nc1sccc1C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@H](SCc1ccccc1)C(=O)Nc1sccc1[*:1]
C[C@H](SCc1ccccc1)C(=O)Nc1sccc1C(=O)NC1CC1 c1ccc(cc1)CS[*:1] C[C@H](C(=O)Nc1sccc1C(=O)NC1CC1)[*:1]
Cn1c(C2CC2)nc2cc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)[*:1]
O=C(Nc1cccc(Cl)c1)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] O=C(Nc1cccc(Cl)c1)c1csc(n1)[*:1]
Cc1nn(C)c2sc(C(=O)NOCC(N)=O)cc12 NC(=O)[*:1] Cc1nn(C)c2sc(cc12)C(=O)NOC[*:1]
Cc1nn(C)c2sc(C(=O)NOCC(N)=O)cc12 NC(=O)C[*:1] Cc1nn(C)c2sc(cc12)C(=O)NO[*:1]
O=C(NCC(=O)N1CCCCC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 O=C(N1CCCCC1)[*:1] O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[*:1]
O=C(NCC(=O)N1CCCCC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCCCC1)NC[C@@H]([NH+]1CCCC1)[*:1]
N#Cc1cc(-c2cncc(C(=O)[O-])c2)ccc1Cl O=C([O-])[*:1] N#Cc1cc(ccc1Cl)-c1cncc(c1)[*:1]
Cc1cc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)[nH]n1 Cc1nc(no1)[*:1] Cc1cc([nH]n1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1cc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)[nH]n1 Cc1cc([nH]n1)[*:1] Cc1nc(no1)[C@H]1CCCN(C1)C(=O)[*:1]
CC(=O)NCC[NH2+]C[C@@H]1Cc2ccccc2S1 CC(=O)NC[*:1] c1ccc2S[C@H](C[NH2+]C[*:1])Cc2c1
CC(=O)NCC[NH2+]C[C@@H]1Cc2ccccc2S1 CC(=O)N[*:1] c1ccc2S[C@H](C[NH2+]CC[*:1])Cc2c1
COc1ccc([C@](C)(O)[C@@H](c2ccccc2)c2ccccn2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@](C)(O)[C@@H](c1ccccn1)[*:1]
COc1ccc([C@](C)(O)[C@@H](c2ccccc2)c2ccccn2)cc1 COc1ccc(cc1)[*:1] C[C@](O)([C@@H](c1ccccc1)c1ccccn1)[*:1]
COc1ccc([C@](C)(O)[C@@H](c2ccccc2)c2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)[C@](C)(O)[C@@H](c1ccccc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 CCN(CC)S(=O)(=O)[*:1] Cc1ccc(cc1C(=O)NN1C(=O)NC2(CCCCC2)C1=O)[*:1]
Cn1c(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]c2ccccc21 O=[N+]([O-])[*:1] Cn1c([nH+]c2ccccc21)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
Cn1c(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]c2ccccc21 O=[N+]([O-])c1ccc(cc1)[*:1] Cn1c([nH+]c2ccccc21)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1noc(C(C)C)c1C(=O)NC[C@@H]1COc2ccccc2C1 CC(C)[*:1] Cc1noc(c1C(=O)NC[C@@H]1COc2ccccc2C1)[*:1]
COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cc2c(F)cccc2s1 COC(=O)[*:1] O=C(c1cc2c(F)cccc2s1)N1c2ccccc2C[C@@H]1[*:1]
O=C(NCCCC(=O)N1CC2(CCCC2)c2ccccc21)c1ccco1 c1coc(c1)[*:1] O=C(CCCNC(=O)[*:1])N1CC2(CCCC2)c2ccccc21
O=C(NCCCC(=O)N1CC2(CCCC2)c2ccccc21)c1ccco1 O=C(N[*:1])c1ccco1 O=C(CCC[*:1])N1CC2(CCCC2)c2ccccc21
C[C@@H](N(C)[C@@H]1CC[NH2+]C1)C1(C)CC1 CC1(CC1)[*:1] C[C@@H](N(C)[C@@H]1CC[NH2+]C1)[*:1]
CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CN(C(=O)CSc1nnc(-c2ccco2)n1C[*:1])[C@@H]1CCS(=O)(=O)C1
CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] CN(C(=O)CSc1nnc(n1Cc1ccccc1)[*:1])[C@@H]1CCS(=O)(=O)C1
CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] CN(C(=O)CSc1nnc(-c2ccco2)n1[*:1])[C@@H]1CCS(=O)(=O)C1
CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(C#N)cc2C)C1 CCNS(=O)(=O)[*:1] Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](C1)[*:1]
O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccncc1F c1ccc(cc1)[*:1] O=C(NCc1ccc(cc1)COC[*:1])c1ccncc1F
O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccncc1F c1ccc(cc1)C[*:1] O=C(NCc1ccc(cc1)CO[*:1])c1ccncc1F
O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccncc1F c1ccc(cc1)CO[*:1] O=C(NCc1ccc(cc1)C[*:1])c1ccncc1F
O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccncc1F Fc1cnccc1[*:1] O=C(NCc1ccc(cc1)COCc1ccccc1)[*:1]
CC[C@@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)NC1=O O=[N+]([O-])[*:1] CC[C@@H]1S/C(=N/N=C/c2cccc(c2)[*:1])NC1=O
CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccsc3)CC2)CC1 c1cc(cs1)C[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)[*:1]
CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccsc3)CC2)CC1 c1cc(cs1)[*:1] CS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)C[*:1]
C=CCSc1nc2ncc3c(n2n1)C[C@H](c1ccc(C)cc1)CC3=O C=CC[*:1] Cc1ccc(cc1)[C@@H]1CC(=O)c2cnc3nc(nn3c2C1)S[*:1]
C=CCSc1nc2ncc3c(n2n1)C[C@H](c1ccc(C)cc1)CC3=O Cc1ccc(cc1)[*:1] C=CCSc1nc2ncc3C(=O)C[C@@H](Cc3n2n1)[*:1]
C=CCSc1nc2ncc3c(n2n1)C[C@H](c1ccc(C)cc1)CC3=O C=CCS[*:1] Cc1ccc(cc1)[C@@H]1CC(=O)c2cnc3nc(nn3c2C1)[*:1]
CCOC(=O)[C@@H](C)CNC(=O)Nc1cc(F)ccc1N1CCCCC1 CCOC(=O)[*:1] C[C@@H](CNC(=O)Nc1cc(F)ccc1N1CCCCC1)[*:1]
CCOC(=O)[C@@H](C)CNC(=O)Nc1cc(F)ccc1N1CCCCC1 C1CCN(CC1)[*:1] CCOC(=O)[C@@H](C)CNC(=O)Nc1cc(F)ccc1[*:1]
CCOc1ccc([C@@]2(C[NH2+]C3CC3)CCC[C@H]2C)cc1 CCO[*:1] C[C@@H]1CCC[C@]1(C[NH2+]C1CC1)c1ccc(cc1)[*:1]
CCOc1ccc([C@@]2(C[NH2+]C3CC3)CCC[C@H]2C)cc1 C1CC1[*:1] CCOc1ccc(cc1)[C@]1(CCC[C@H]1C)C[NH2+][*:1]
CC(C)Oc1ccc(S(=O)(=O)N(C)Cc2nccn2C(F)F)cc1 CC(C)[*:1] CN(Cc1nccn1C(F)F)S(=O)(=O)c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(S(=O)(=O)N(C)Cc2nccn2C(F)F)cc1 FC(F)[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)N(C)Cc1nccn1[*:1]
CC(C)Oc1ccc(S(=O)(=O)N(C)Cc2nccn2C(F)F)cc1 CC(C)O[*:1] CN(Cc1nccn1C(F)F)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)Oc1ccc(S(=O)(=O)N(C)Cc2nccn2C(F)F)cc1 FC(F)n1ccnc1[*:1] CC(C)Oc1ccc(cc1)S(=O)(=O)N(C)C[*:1]
Cc1ccc(CN(C)C(=O)c2nc(-c3ccccc3)[nH]c2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1[nH]c(nc1C(=O)N(C)C[*:1])-c1ccccc1
Cc1ccc(CN(C)C(=O)c2nc(-c3ccccc3)[nH]c2C)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(CN(C)C(=O)c2nc([nH]c2C)[*:1])c(C)c1
C[C@@H](C(N)=O)N1CCN(CC(=O)N(C)Cc2cccs2)CC1 C[C@@H](C(N)=O)[*:1] CN(Cc1cccs1)C(=O)CN1CCN(CC1)[*:1]
C[C@@H](C(N)=O)N1CCN(CC(=O)N(C)Cc2cccs2)CC1 c1csc(c1)C[*:1] C[C@@H](C(N)=O)N1CCN(CC1)CC(=O)N(C)[*:1]
C[C@@H](C(N)=O)N1CCN(CC(=O)N(C)Cc2cccs2)CC1 c1csc(c1)[*:1] C[C@@H](C(N)=O)N1CCN(CC1)CC(=O)N(C)C[*:1]
C[C@@H](C(N)=O)N1CCN(CC(=O)N(C)Cc2cccs2)CC1 NC(=O)[*:1] C[C@@H](N1CCN(CC1)CC(=O)N(C)Cc1cccs1)[*:1]
CSCc1cc(F)ccc1CNS(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] CSCc1cc(F)ccc1CNS(=O)(=O)[*:1]
CSCc1cc(F)ccc1CNS(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CSCc1cc(F)ccc1CNS(=O)(=O)C[*:1]
CSCc1cc(F)ccc1CNS(=O)(=O)Cc1ccccc1 CSC[*:1] O=S(=O)(Cc1ccccc1)NCc1ccc(F)cc1[*:1]
Cc1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)c(Cl)c1 Clc1cccc(c1)C[*:1] Cc1ccc(NC(=O)c2nnn(c2N)[*:1])c(Cl)c1
Cc1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)c(Cl)c1 Clc1cccc(c1)[*:1] Cc1ccc(NC(=O)c2nnn(C[*:1])c2N)c(Cl)c1
Cc1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] Nc1c(nnn1Cc1cccc(Cl)c1)C(=O)N[*:1]
CCOCCNc1cccc(F)c1C(=O)[O-] CCO[*:1] O=C([O-])c1c(F)cccc1NCC[*:1]
CCOCCNc1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] CCOCCNc1cccc(F)c1[*:1]
CCOCCNc1cccc(F)c1C(=O)[O-] CCOC[*:1] O=C([O-])c1c(F)cccc1NC[*:1]
CCOCCNc1cccc(F)c1C(=O)[O-] CCOCC[*:1] O=C([O-])c1c(F)cccc1N[*:1]
C/C(NCCCn1cc[nH+]c1)=C(\C#N)C(N)=O NC(=O)[*:1] CC(NCCCn1cc[nH+]c1)=C(C#N)[*:1]
CC(C)[C@@H](NC(=O)COc1ccc2nccnc2c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)COc1ccc2nccnc2c1)[*:1]
CC(C)[C@@H](NC(=O)COc1ccc2nccnc2c1)c1ccc(F)cc1 CC(C)[*:1] O=C(COc1ccc2nccnc2c1)N[C@@H](c1ccc(F)cc1)[*:1]
CCC[C@H](NC(=O)c1cccc(Br)n1)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1cccc(Br)n1)[*:1]
CCC[C@H](NC(=O)c1cccc(Br)n1)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1cccc(Br)n1)[*:1]
COc1ccc(Br)cc1-c1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] COc1ccc(Br)cc1-c1nc(cs1)[*:1]
O=C(COC(=O)c1cccnc1Cl)Nc1ccc(C(F)(F)F)cc1 Clc1ncccc1[*:1] O=C(COC(=O)[*:1])Nc1ccc(cc1)C(F)(F)F
O=C(COC(=O)c1cccnc1Cl)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(COC(=O)c1cccnc1Cl)Nc1ccc(cc1)[*:1]
CCc1ccccc1N(C(C)=O)c1nc(CSc2nnnn2C2CCCC2)cs1 C1CCC(C1)[*:1] CCc1ccccc1N(C(C)=O)c1nc(cs1)CSc1nnnn1[*:1]
CCc1ccccc1N(C(C)=O)c1nc(CSc2nnnn2C2CCCC2)cs1 CCc1ccccc1[*:1] CC(=O)N(c1nc(cs1)CSc1nnnn1C1CCCC1)[*:1]
CNC(=O)C[C@H](C[NH3+])NC[C@]1(C)CCCO1 CNC(=O)[*:1] C[C@]1(CCCO1)CN[C@@H](C[NH3+])C[*:1]
CNC(=O)C[C@H](C[NH3+])NC[C@]1(C)CCCO1 CNC(=O)C[*:1] C[C@]1(CCCO1)CN[C@@H](C[NH3+])[*:1]
COc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 COc1ccccc1[*:1] Cc1nnc2S[C@@H](C(=O)N[*:1])[C@H](Nn12)c1ccccc1
COc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1[*:1]
C[C@H]1CN(C(=O)Cc2cccc(OCc3cccnc3)c2)CCO1 c1cncc(c1)CO[*:1] C[C@H]1CN(CCO1)C(=O)Cc1cccc(c1)[*:1]
C[C@H]1CN(C(=O)Cc2cccc(OCc3cccnc3)c2)CCO1 c1cncc(c1)[*:1] C[C@H]1CN(CCO1)C(=O)Cc1cccc(c1)OC[*:1]
C[C@H]1CN(C(=O)Cc2cccc(OCc3cccnc3)c2)CCO1 c1cncc(c1)C[*:1] C[C@H]1CN(CCO1)C(=O)Cc1cccc(c1)O[*:1]
CN(C[C@H](O)CN1CCOCC1)c1cc[nH+]cc1Cl C1CN(CCO1)[*:1] CN(C[C@H](O)C[*:1])c1cc[nH+]cc1Cl
Cc1ccc(-c2ncco2)cc1NC(=O)c1cccc2[nH]ccc12 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)c1cccc2[nH]ccc12)[*:1]
CS[C@@H]1CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 CS(=O)(=O)N[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)C(C)(C)[*:1]
Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[*:1]
Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1onc(-c2ccc(F)cc2)c1C(=O)N[*:1]
Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1onc(c1C(=O)NCc1ccc(F)cc1)[*:1]
O=C([O-])[C@H]1CC2(CCN(S(=O)(=O)N3CCOCC3)CC2)C[NH2+]1 O=C([O-])[*:1] O=S(=O)(N1CCOCC1)N1CCC2(CC1)C[NH2+][C@H](C2)[*:1]
CCn1nc(C)cc1C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCn1nc(C)cc1C(=O)Nc1ccc(C)c(c1)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)NCc1nccc2ccccc12 NC(=O)N[*:1] CC[C@H](C)[C@H](C(=O)NCc1nccc2ccccc12)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)NCc1nccc2ccccc12 CC[C@H](C)[*:1] NC(=O)N[C@H](C(=O)NCc1nccc2ccccc12)[*:1]
O=C(OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1O Oc1ccccc1[*:1] O=C(OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O)[*:1]
O=C(Nc1cccnc1)c1ccc(S(=O)(=O)NC2CC2)cc1 C1CC1[*:1] O=C(Nc1cccnc1)c1ccc(cc1)S(=O)(=O)N[*:1]
O=C(Nc1cccnc1)c1ccc(S(=O)(=O)NC2CC2)cc1 O=S(=O)(NC1CC1)[*:1] O=C(Nc1cccnc1)c1ccc(cc1)[*:1]
O=C(Nc1cccnc1)c1ccc(S(=O)(=O)NC2CC2)cc1 c1cncc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NC1CC1
Cc1c(C)n(C2CCCCC2)c2ncn3nc(-c4cccs4)nc3c12 C1CCC(CC1)[*:1] Cc1c(C)n(c2ncn3nc(nc3c12)-c1cccs1)[*:1]
Cc1c(C)n(C2CCCCC2)c2ncn3nc(-c4cccs4)nc3c12 c1csc(c1)[*:1] Cc1c(C)n(c2ncn3nc(nc3c12)[*:1])C1CCCCC1
Cc1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1C Cc1ccc(cc1C)[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[*:1]
Cc1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1C CC(C)[*:1] Cc1ccc(cc1C)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)[*:1]
CCc1nn(C)cc1C(=O)OC[C@H](C#N)Cc1ccccc1 c1ccc(cc1)[*:1] CCc1nn(C)cc1C(=O)OC[C@H](C#N)C[*:1]
CCc1nn(C)cc1C(=O)OC[C@H](C#N)Cc1ccccc1 c1ccc(cc1)C[*:1] CCc1nn(C)cc1C(=O)OC[C@H](C#N)[*:1]
O=C(Nc1ccccc1Cc1ccccc1)c1cn2cccnc2n1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1C[*:1])c1cn2cccnc2n1
O=C(Nc1ccccc1Cc1ccccc1)c1cn2cccnc2n1 c1ccc(cc1)C[*:1] O=C(Nc1ccccc1[*:1])c1cn2cccnc2n1
COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(-n2ccnc2)cc1 COC(=O)[*:1] O[C@H]1C[C@H](N(Cc2ccc(cc2)-n2ccnc2)C1)[*:1]
COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(cc1)[*:1]
C[C@@H]1CCC[C@@H](OCC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)C1 C[C@@H]1CN(CCO1)[*:1] C[C@@H]1CCC[C@H](C1)OCC(=O)NC[C@@H](c1c(F)cccc1Cl)[*:1]
C[C@@H]1CCC[C@@H](OCC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)C1 Fc1cccc(Cl)c1[*:1] C[C@@H]1CCC[C@H](C1)OCC(=O)NC[C@@H](N1CCO[C@H](C)C1)[*:1]
C[C@@H]1CCC[C@@H](OCC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)C1 C[C@@H]1CCC[C@H](C1)OC[*:1] C[C@@H]1CN(CCO1)[C@@H](CNC(=O)[*:1])c1c(F)cccc1Cl
CCc1ccc([C@H](NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C(C)(C)C)o1 CC(C)(C)[*:1] CCc1ccc(o1)[C@H](NC(=O)[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
CCc1ccc([C@H](NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C(C)(C)C)o1 CCc1ccc(o1)[*:1] CC(C)(C)[C@@H](NC(=O)[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
COc1ccc(OC(F)F)c(CN2CCNC(=O)[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC(F)F)c(c1)CN1CCNC(=O)[C@@H]1[*:1]
COc1ccc(OC(F)F)c(CN2CCNC(=O)[C@H]2c2ccccc2)c1 FC(F)[*:1] COc1ccc(O[*:1])c(c1)CN1CCNC(=O)[C@H]1c1ccccc1
COc1ccc(OC(F)F)c(CN2CCNC(=O)[C@H]2c2ccccc2)c1 FC(F)O[*:1] COc1ccc(c(c1)CN1CCNC(=O)[C@H]1c1ccccc1)[*:1]
COc1ccc(CN(C)C(=O)c2cc(Br)cn2C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)CN(C)C(=O)c1cc(Br)cn1[*:1]
O=C([O-])c1nc(F)ccc1Br O=C([O-])[*:1] Fc1ccc(Br)c(n1)[*:1]
[NH3+]CCc1sc(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] [NH3+]CCc1sc(nc1[*:1])-c1ccccc1
[NH3+]CCc1sc(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] [NH3+]CCc1sc(nc1-c1ccccc1)[*:1]
CCCN(CC#N)Cc1csc2ccccc12 CCC[*:1] N#CCN(Cc1csc2ccccc12)[*:1]
CCCN(CC#N)Cc1csc2ccccc12 N#CC[*:1] CCCN(Cc1csc2ccccc12)[*:1]
C[C@H]([NH2+][C@H](C)CCN1CCOCC1)c1cccc(-c2ccncc2)c1 C1CN(CCO1)C[*:1] C[C@H]([NH2+][C@H](C)C[*:1])c1cccc(c1)-c1ccncc1
C[C@H]([NH2+][C@H](C)CCN1CCOCC1)c1cccc(-c2ccncc2)c1 C1CN(CCO1)[*:1] C[C@H]([NH2+][C@H](C)CC[*:1])c1cccc(c1)-c1ccncc1
C[C@H]([NH2+][C@H](C)CCN1CCOCC1)c1cccc(-c2ccncc2)c1 c1cc(ccn1)[*:1] C[C@H]([NH2+][C@H](C)CCN1CCOCC1)c1cccc(c1)[*:1]
C[C@H]([NH2+][C@H](C)CCN1CCOCC1)c1cccc(-c2ccncc2)c1 C1CN(CCO1)CC[*:1] C[C@H]([NH2+][C@H](C)[*:1])c1cccc(c1)-c1ccncc1
CC(C)(C)n1cc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c2cccnc21 CC(C)(C)[*:1] O=C(Nc1cccc(c1)-c1cn2ccsc2n1)c1cn(c2ncccc12)[*:1]
CC(C)(C)n1cc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c2cccnc21 c1cn2cc(nc2s1)[*:1] CC(C)(C)n1cc(C(=O)Nc2cccc(c2)[*:1])c2cccnc21
CC(C)C(=O)Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 CC(C)C(=O)N[*:1] O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)COc1ccccc1[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 CC(C)[*:1] O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(cc1)NC(=O)[*:1]
Cc1cc(=O)[nH]c(SCCOc2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] Cc1cc(=O)[nH]c(n1)SCCOc1cccc(c1)[*:1]
CC[NH2+][C@H](C)c1ccccc1N(C)CCS(C)(=O)=O CS(=O)(=O)CC[*:1] CC[NH2+][C@H](C)c1ccccc1N(C)[*:1]
CC[NH2+][C@H](C)c1ccccc1N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] CC[NH2+][C@H](C)c1ccccc1N(C)C[*:1]
CC[NH2+][C@H](C)c1ccccc1N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] CC[NH2+][C@H](C)c1ccccc1N(C)CC[*:1]
CC(C)(C)OC(=O)N1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CC[C@](O)(C1)[*:1]
CC(C)(C)OC(=O)N1CC[C@](O)(C(F)(F)F)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CC[C@@](O)(C1)C(F)(F)F
C[C@@H](O/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(C(N)=O)cc1 NC(=O)[*:1] C[C@@H](O/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](O/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(C(N)=O)cc1 Clc1cccc(c1Cl)[*:1] C[C@@H](ON=C[*:1])C(=O)Nc1ccc(cc1)C(N)=O
Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)c1ccccc1N(C)C CS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)O[C@H](C)c1ccccc1N(C)C)[*:1]
Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)c1ccccc1N(C)C CN(C)[*:1] Cc1ccc(cc1C(=O)O[C@H](C)c1ccccc1[*:1])S(C)(=O)=O
Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)Cn4cccn4)CC3)c2)s1 Cc1nnc(s1)[*:1] O=C(Nc1cccc(c1)[*:1])C1CCN(CC1)C(=O)Cn1cccn1
Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)Cn4cccn4)CC3)c2)s1 c1cnn(c1)C[*:1] Cc1nnc(s1)-c1cccc(c1)NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)Cn4cccn4)CC3)c2)s1 c1cnn(c1)[*:1] Cc1nnc(s1)-c1cccc(c1)NC(=O)C1CCN(CC1)C(=O)C[*:1]
COC(=O)C/C(=N/c1ccc(C(F)(F)F)cc1)C(=O)OC COC(=O)C[*:1] COC(=O)/C(=N\c1ccc(cc1)C(F)(F)F)[*:1]
COC(=O)C/C(=N/c1ccc(C(F)(F)F)cc1)C(=O)OC FC(F)(F)[*:1] COC(=O)C/C(=N/c1ccc(cc1)[*:1])C(=O)OC
COC(=O)C/C(=N/c1ccc(C(F)(F)F)cc1)C(=O)OC COC(=O)[*:1] COC(=O)/C(C[*:1])=N\c1ccc(cc1)C(F)(F)F
O=C(c1c[nH]nc1-c1ccccc1F)N1CCN(Cc2ccco2)CC1 Fc1ccccc1[*:1] O=C(c1c[nH]nc1[*:1])N1CCN(CC1)Cc1ccco1
O=C(c1c[nH]nc1-c1ccccc1F)N1CCN(Cc2ccco2)CC1 c1coc(c1)C[*:1] O=C(c1c[nH]nc1-c1ccccc1F)N1CCN(CC1)[*:1]
O=C(c1c[nH]nc1-c1ccccc1F)N1CCN(Cc2ccco2)CC1 c1coc(c1)[*:1] O=C(c1c[nH]nc1-c1ccccc1F)N1CCN(CC1)C[*:1]
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 C1CCc2nnc(n2CC1)[*:1] Cc1nc2nc(nn2c(C)c1CCC(=O)Nc1ccc(cc1)[*:1])C(F)(F)F
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 FC(F)(F)[*:1] Cc1nc2nc(nn2c(C)c1CCC(=O)Nc1ccc(cc1)-c1nnc2CCCCCn21)[*:1]
Cc1oc(-c2ccccc2Cl)nc1COc1ccc(C=O)cc1 Clc1ccccc1[*:1] Cc1oc(nc1COc1ccc(C=O)cc1)[*:1]
Cn1ncc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1-n1cccc1 c1ccn(c1)[*:1] Cn1ncc(C(=O)N2CCC[C@H](C2)c2[nH]cc[nH+]2)c1[*:1]
Cc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2ccccn2)CC1 Cc1nn(C)c(C)c1[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1ccccn1
Cc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2ccccn2)CC1 c1ccc(nc1)[*:1] Cc1nn(C)c(C)c1CCC(=O)N1CCN(CC1)C[*:1]
Cc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 Cc1nn(C)c(C)c1CCC(=O)N1CCN(CC1)[*:1]
CC(C)c1ccc(-c2ccc([C@H](C)[NH3+])cc2)cc1 CC(C)[*:1] C[C@H]([NH3+])c1ccc(cc1)-c1ccc(cc1)[*:1]
C[NH+](C)[C@@H]1CC[C@H](NC(=O)CCc2nc3ccccc3n2-c2ccccc2)C1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)CCc1nc2ccccc2n1[*:1]
Cc1ccccc1[C@H](O)CNc1ncnc2nc(N)ccc12 Cc1ccccc1[*:1] Nc1ccc2c(ncnc2n1)NC[C@@H](O)[*:1]
O=C(NC(c1ccccc1)c1ccccc1)c1cc2cccnn2n1 c1ccc(cc1)[*:1] O=C(NC(c1ccccc1)[*:1])c1cc2cccnn2n1
Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1 Cc1cc(C)n(n1)[*:1] Cn1c(=O)c2c(nc(n2C)[*:1])n(C)c1=O
CC[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1nccs1 c1csc(n1)[*:1] CC[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[*:1]
CC(=O)N1CCC(CCC(=O)Nc2ccnc(C)c2)CC1 Cc1cc(ccn1)[*:1] CC(=O)N1CCC(CCC(=O)N[*:1])CC1
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1(c2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)[*:1] CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1(CCCC1)[*:1]
COc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C)N2CCc3ccccc32)cc1 COc1ccc(cc1)[*:1] C[C@H](CNC(=O)C(C#N)=C[*:1])N1CCc2ccccc21
COc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C)N2CCc3ccccc32)cc1 c1ccc2c(c1)CCN2[*:1] COc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C)[*:1])cc1
CC[NH+](CC)CC(=O)N1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 O=C(Nc1nccs1)[*:1] CC[NH+](CC)CC(=O)N1CC[C@@H](C1)c1cc(c2ccccc2n1)[*:1]
CC[NH+](CC)CC(=O)N1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 c1csc(n1)[*:1] CC[NH+](CC)CC(=O)N1CC[C@@H](C1)c1cc(C(=O)N[*:1])c2ccccc2n1
CC(C)(C)NC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)(C)NC(=O)C(=O)NCC1(CC1)[*:1]
CC(C)(C)NC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 CC(C)(C)[*:1] O=C(NCC1(CC1)c1ccc(F)cc1)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)n2cc(-c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)cn2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)n1cc(cn1)-c1cnn(c1)S(=O)(=O)[*:1]
CC[C@@H](C)[C@@H]([NH3+])c1cccc(C)n1 CC[C@@H](C)[*:1] Cc1cccc(n1)[C@H]([NH3+])[*:1]
Cc1csc(C[NH2+]C2(C(=O)[O-])CC2)n1 O=C([O-])[*:1] Cc1csc(C[NH2+]C2(CC2)[*:1])n1
Cc1ccccc1C[NH+]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 Cc1ccccc1C[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N1CCC[NH+](CC1)[*:1]
Cc1ccccc1C[NH+]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] Cc1ccccc1C[NH+]1CCCN(CC1)C(=O)c1ccc(C)c(c1)[*:1]
Cc1ccccc1C[NH+]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 Cc1ccccc1[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N1CCC[NH+](CC1)C[*:1]
CCC([NH3+])(CC)C(=O)N1CCC[C@]1(C)C(=O)[O-] O=C([O-])[*:1] CCC([NH3+])(CC)C(=O)N1CCC[C@@]1(C)[*:1]
CCOc1nnc(CN2CCCN(c3nc(C)cs3)CC2)s1 CCO[*:1] Cc1csc(n1)N1CCCN(CC1)Cc1nnc(s1)[*:1]
CCOc1nnc(CN2CCCN(c3nc(C)cs3)CC2)s1 Cc1csc(n1)[*:1] CCOc1nnc(CN2CCCN(CC2)[*:1])s1
CC(=O)Nc1cc(NC(=O)CNC(=O)c2ccc(F)c(F)c2)ccc1C Fc1ccc(cc1F)[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)CNC(=O)[*:1]
CC(=O)Nc1cc(NC(=O)CNC(=O)c2ccc(F)c(F)c2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=O)CNC(=O)c1ccc(F)c(F)c1
C/C(=C\C(=O)NCc1ccc(Cl)cc1)NNC(=O)c1cccc(Br)c1 Clc1ccc(cc1)[*:1] C/C(=C\C(=O)NC[*:1])NNC(=O)c1cccc(Br)c1
C/C(=C\C(=O)NCc1ccc(Cl)cc1)NNC(=O)c1cccc(Br)c1 Clc1ccc(cc1)C[*:1] C/C(=C\C(=O)N[*:1])NNC(=O)c1cccc(Br)c1
C/C(=C\C(=O)NCc1ccc(Cl)cc1)NNC(=O)c1cccc(Br)c1 Brc1cccc(c1)[*:1] C/C(=C\C(=O)NCc1ccc(Cl)cc1)NNC(=O)[*:1]
COc1ccc(C(=O)/C(C#N)=C/c2cccc3ccccc23)cc1 COc1ccc(cc1)[*:1] N#C/C(=C\c1cccc2ccccc12)C(=O)[*:1]
CCC[NH2+]C1CCN(c2ccc(F)c(F)c2F)CC1 CCC[*:1] Fc1ccc(c(F)c1F)N1CCC(CC1)[NH2+][*:1]
CCCCN(C(=O)N[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 COC[C@H](C)[*:1] CCCCN(C(=O)N[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 COC[*:1] CCCCN(C(=O)N[C@@H](C)[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] COC[C@H](C)NC(=O)N(C[*:1])[C@@H]1CCS(=O)(=O)C1
CCCCN(C(=O)N[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 CCCC[*:1] COC[C@H](C)NC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(-n4ccnc4)cc3)[C@H]2c2ccccc2OC)cc1 c1cn(cn1)-c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)CC[C@H](C(=O)N[*:1])[C@H]1c1ccccc1OC
COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(-n4ccnc4)cc3)[C@H]2c2ccccc2OC)cc1 COc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1[C@H](CCC(=O)N1[*:1])C(=O)Nc1ccc(cc1)-n1ccnc1
COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(-n4ccnc4)cc3)[C@H]2c2ccccc2OC)cc1 COc1ccccc1[*:1] COc1ccc(cc1)N1C(=O)CC[C@H](C(=O)Nc2ccc(cc2)-n2ccnc2)[C@@H]1[*:1]
COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(-n4ccnc4)cc3)[C@H]2c2ccccc2OC)cc1 c1cn(cn1)[*:1] COc1ccc(cc1)N1C(=O)CC[C@H](C(=O)Nc2ccc(cc2)[*:1])[C@H]1c1ccccc1OC
C=CCn1c(SCC(=O)c2ccc(Br)s2)nnc1[C@H]1COc2ccccc2O1 O=C(C[*:1])c1ccc(Br)s1 C=CCn1c(nnc1[C@H]1COc2ccccc2O1)S[*:1]
C=CCn1c(SCC(=O)c2ccc(Br)s2)nnc1[C@H]1COc2ccccc2O1 C=CC[*:1] O=C(CSc1nnc([C@H]2COc3ccccc3O2)n1[*:1])c1ccc(Br)s1
C=CCn1c(SCC(=O)c2ccc(Br)s2)nnc1[C@H]1COc2ccccc2O1 Brc1ccc(s1)[*:1] C=CCn1c(nnc1[C@H]1COc2ccccc2O1)SCC(=O)[*:1]
C=CCn1c(SCC(=O)c2ccc(Br)s2)nnc1[C@H]1COc2ccccc2O1 O=C(c1ccc(Br)s1)[*:1] C=CCn1c(nnc1[C@H]1COc2ccccc2O1)SC[*:1]
CC1=c2ccccc2=[NH+]C(=O)[C@H]1Sc1ccccc1C(=O)OCC(=O)C(C)(C)C CC(C)(C)[*:1] CC1=c2ccccc2=[NH+]C(=O)[C@H]1Sc1ccccc1C(=O)OCC(=O)[*:1]
CC1=c2ccccc2=[NH+]C(=O)[C@H]1Sc1ccccc1C(=O)OCC(=O)C(C)(C)C CC(C)(C)C(=O)C[*:1] CC1=c2ccccc2=[NH+]C(=O)[C@H]1Sc1ccccc1C(=O)O[*:1]
CC1=c2ccccc2=[NH+]C(=O)[C@H]1Sc1ccccc1C(=O)OCC(=O)C(C)(C)C CC(C)(C)C(=O)[*:1] CC1=c2ccccc2=[NH+]C(=O)[C@H]1Sc1ccccc1C(=O)OC[*:1]
C[NH+](CC(=O)Nc1cccnc1)Cc1ccc(F)c(F)c1 c1cncc(c1)[*:1] C[NH+](CC(=O)N[*:1])Cc1ccc(F)c(F)c1
C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CCCCC1 C1CCC(CC1)[*:1] C[C@H](OC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] C[C@H](OC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1)[*:1]
C[C@H](OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CCCCC1 Clc1ccc(cc1)[*:1] C[C@H](OC(=O)C1CCN(CC1)C(=O)[*:1])C(=O)NC1CCCCC1
C[C@@H](CC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1)C(C)(C)C C[C@@H](C(C)(C)C)[*:1] O=C(C[*:1])NCC1CCN(CC1)C(=O)C(F)(F)F
C[C@@H](CC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1)C(C)(C)C C[C@@H](C[*:1])C(C)(C)C O=C(N1CCC(CC1)CNC(=O)[*:1])C(F)(F)F
C[C@@H](CC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1)C(C)(C)C CC(C)(C)[*:1] C[C@@H](CC(=O)NCC1CCN(CC1)C(=O)C(F)(F)F)[*:1]
C[C@@H](CC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1)C(C)(C)C FC(F)(F)[*:1] C[C@@H](CC(=O)NCC1CCN(CC1)C(=O)[*:1])C(C)(C)C
CCN(CCO)C(=O)c1cscc1C OCC[*:1] CCN(C(=O)c1cscc1C)[*:1]
C[C@H](NC(=O)Cc1ccc[nH]1)c1ccc(F)cc1F c1c[nH]c(c1)[*:1] C[C@H](NC(=O)C[*:1])c1ccc(F)cc1F
C[C@H](NC(=O)Cc1ccc[nH]1)c1ccc(F)cc1F c1c[nH]c(c1)C[*:1] C[C@H](NC(=O)[*:1])c1ccc(F)cc1F
CC[C@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)C[C@H](C)O1 C1CCC(C1)[*:1] CC[C@H]1CN(C[C@H](C)O1)C(=O)NCCNC(=O)C[*:1]
CC[C@H]1CN(C(=O)NCCNC(=O)CC2CCCC2)C[C@H](C)O1 C1CCC(C1)C[*:1] CC[C@H]1CN(C[C@H](C)O1)C(=O)NCCNC(=O)[*:1]
CCOC(=O)[C@H](CC)Oc1ccc2c(C)c(C)c(=O)oc2c1C CCOC(=O)[*:1] CC[C@H](Oc1ccc2c(C)c(C)c(=O)oc2c1C)[*:1]
Cc1c(NC(=O)c2cc(Cl)ccc2O)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)c2cc(Cl)ccc2O)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)c2cc(Cl)ccc2O)c(=O)n(-c2ccccc2)n1C Oc1ccc(Cl)cc1[*:1] Cc1c(NC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc1 Cc1ccc(nc1)[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)N[*:1]
Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc1 FC(F)(F)[*:1] Cc1ccc(nc1)NC(=O)Nc1cc(ccc1Cl)[*:1]
CCc1noc(CC)c1CNC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 CN(C)C(=O)[*:1] CCc1noc(CC)c1CNC(=O)Nc1ccc(c(C)c1)[*:1]
COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)c(OC)c1 COc1ccccc1[*:1] COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@H]2[*:1])c(c1)OC
COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)c(OC)c1 COc1ccc(c(c1)OC)[*:1] COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)[*:1]
O=C(c1cccc2cn[nH]c12)N1CCCCC[C@@H]1c1ccco1 c1coc(c1)[*:1] O=C(c1cccc2cn[nH]c12)N1CCCCC[C@H]1[*:1]
C=C(C)COCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 C=C(C)C[*:1] Fc1ccc(cc1)[C@@H]1CCC[C@@H]1[NH2+]CCO[*:1]
C=C(C)COCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 C=C(C)CO[*:1] Fc1ccc(cc1)[C@@H]1CCC[C@@H]1[NH2+]CC[*:1]
C=C(C)COCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 C=C(C)COC[*:1] Fc1ccc(cc1)[C@@H]1CCC[C@@H]1[NH2+]C[*:1]
C=C(C)COCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 C=C(C)[*:1] Fc1ccc(cc1)[C@@H]1CCC[C@@H]1[NH2+]CCOC[*:1]
S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] S=c1[nH]nc(-c2ccncc2)n1NC[*:1]
S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(Cl)cc1 c1cc(ccn1)[*:1] S=c1[nH]nc(n1NCc1ccc(Cl)cc1)[*:1]
Cc1c([C@@H](C)[NH2+][C@@H]2CC=CCC2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)[NH2+][C@@H]1CC=CCC1
CC(C)c1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nnc(N(C)C)s1 CN(C)[*:1] CC(C)c1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nnc(s1)[*:1]
CC(C)c1ccccc1NC(=O)[C@H](C)S(=O)(=O)c1nnc(N(C)C)s1 CC(C)[*:1] C[C@@H](C(=O)Nc1ccccc1[*:1])S(=O)(=O)c1nnc(s1)N(C)C
CC(C)c1ccc(-n2c(O)c(/C=N/NC(=O)c3ccncc3)c(=O)[nH]c2=O)cc1 CC(C)[*:1] O=C(N/N=C/c1c(O)n(-c2ccc(cc2)[*:1])c(=O)[nH]c1=O)c1ccncc1
CC(C)c1ccc(-n2c(O)c(/C=N/NC(=O)c3ccncc3)c(=O)[nH]c2=O)cc1 c1cc(ccn1)[*:1] CC(C)c1ccc(cc1)-n1c(O)c(/C=N/NC(=O)[*:1])c(=O)[nH]c1=O
CC(C)c1ccc(-n2c(O)c(/C=N/NC(=O)c3ccncc3)c(=O)[nH]c2=O)cc1 CC(C)c1ccc(cc1)[*:1] O=C(N/N=C/c1c(O)n(c(=O)[nH]c1=O)[*:1])c1ccncc1
CN(C[C@H](O)CN1CCOCC1)c1nc[nH+]c2nc(N)ccc12 C1CN(CCO1)[*:1] CN(C[C@H](O)C[*:1])c1nc[nH+]c2nc(N)ccc12
CN(C[C@H](O)CN1CCOCC1)c1nc[nH+]c2nc(N)ccc12 C1CN(CCO1)C[*:1] CN(C[C@H](O)[*:1])c1nc[nH+]c2nc(N)ccc12
C[C@H](O)C[C@H](C)CNC(=O)NCc1cc(F)ccc1Br C[C@H](O)[*:1] C[C@H](CNC(=O)NCc1cc(F)ccc1Br)C[*:1]
C[C@H](O)C[C@H](C)CNC(=O)NCc1cc(F)ccc1Br C[C@H](O)C[*:1] C[C@H](CNC(=O)NCc1cc(F)ccc1Br)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC[C@@H]2c2ccncc2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](C1)NC(=O)N1CCC[C@@H]1c1ccncc1
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC[C@@H]2c2ccncc2)C1 c1cc(ccn1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](C1)NC(=O)N1CCC[C@H]1[*:1]
CC(C)(C)c1ccc(OCC(=O)NCc2ccncc2)c(Br)c1 CC(C)(C)[*:1] O=C(COc1ccc(cc1Br)[*:1])NCc1ccncc1
CC(C)(C)c1ccc(OCC(=O)NCc2ccncc2)c(Br)c1 c1cc(ccn1)C[*:1] CC(C)(C)c1ccc(OCC(=O)N[*:1])c(Br)c1
CC(C)(C)c1ccc(OCC(=O)NCc2ccncc2)c(Br)c1 c1cc(ccn1)[*:1] CC(C)(C)c1ccc(OCC(=O)NC[*:1])c(Br)c1
CC[C@H](C)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC CC[C@H](C)[*:1] COc1ccc(cc1NC(=O)[*:1])C(=O)N1CCOCC1
CC[C@H](C)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC CC[C@H](C)C(=O)N[*:1] COc1ccc(cc1[*:1])C(=O)N1CCOCC1
N#Cc1ccc([C@H](Nc2ccc(CO)cc2)C(N)=O)cc1 NC(=O)[*:1] N#Cc1ccc(cc1)[C@H](Nc1ccc(cc1)CO)[*:1]
CO[C@H]1CCCN(C(=O)N[C@@H](C)c2cnn(-c3ccccc3)c2C)C1 c1ccc(cc1)[*:1] CO[C@H]1CCCN(C1)C(=O)N[C@@H](C)c1cnn(c1C)[*:1]
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] C[C@H](Sc1nnc(o1)-c1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(o1)[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 O=[N+]([O-])c1ccc(Cl)cc1[*:1] O=C(N1CCC(CC1)c1nnc(o1)-c1ccc(F)cc1)[*:1]
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 O=[N+]([O-])[*:1] O=C(c1cc(Cl)ccc1[*:1])N1CCC(CC1)c1nnc(o1)-c1ccc(F)cc1
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(CC1)c1nnc(o1)[*:1]
CCCNC(=O)Nc1ccccc1OCCC CCC[*:1] CCCOc1ccccc1NC(=O)N[*:1]
CCCNC(=O)Nc1ccccc1OCCC CCC[*:1] CCCNC(=O)Nc1ccccc1O[*:1]
CCCNC(=O)Nc1ccccc1OCCC CCCO[*:1] CCCNC(=O)Nc1ccccc1[*:1]
CCOC(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 CCOC(=O)[C@@H](C)[*:1] c1ccc(cc1)-c1cc2c(ncnc2s1)S[*:1]
CCOC(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 CCOC(=O)[*:1] C[C@@H](Sc1ncnc2sc(cc12)-c1ccccc1)[*:1]
CCOC(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 c1ccc(cc1)[*:1] CCOC(=O)[C@@H](C)Sc1ncnc2sc(cc12)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2ccc3nc(C)ccc3c2)CC1 CCOC(=O)[*:1] Cc1ccc2cc(ccc2n1)C(=O)N1CCC(C)(CC1)[*:1]
COCCNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 COC[*:1] O=C(NC[*:1])[C@@H]1CC(=NO1)c1cccc(F)c1
COCCNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 COCC[*:1] O=C(N[*:1])[C@@H]1CC(=NO1)c1cccc(F)c1
CC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 CC(=O)C[*:1] O=S(=O)(c1cccc(Cl)c1)N1CCCC[C@@H]1[*:1]
CC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 CC(=O)[*:1] O=S(=O)(c1cccc(Cl)c1)N1CCCC[C@@H]1C[*:1]
Cc1noc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 Cc1noc(n1)[*:1] C[C@H](c1cccc(c1)[N+](=O)[O-])N(C)C[*:1]
Cc1noc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 O=[N+]([O-])[*:1] Cc1noc(CN(C)[C@H](C)c2cccc(c2)[*:1])n1
O=C(NCCc1ccc(F)cc1)c1ccc2c(=O)[nH][nH]c(=O)c2c1 Fc1ccc(cc1)C[*:1] O=C(NC[*:1])c1ccc2c(=O)[nH][nH]c(=O)c2c1
O=C(NCCc1ccc(F)cc1)c1ccc2c(=O)[nH][nH]c(=O)c2c1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])c1ccc2c(=O)[nH][nH]c(=O)c2c1
C[C@H](Oc1cccnc1)C(=O)/C=C/N(C)C CN(C)C=C[*:1] C[C@H](Oc1cccnc1)C(=O)[*:1]
C[C@H](Oc1cccnc1)C(=O)/C=C/N(C)C CN(C)[*:1] C[C@H](Oc1cccnc1)C(=O)C=C[*:1]
CC(C)Oc1ccc(CNC(=O)N[C@H](C)Cc2ccco2)cn1 c1coc(c1)[*:1] CC(C)Oc1ccc(cn1)CNC(=O)N[C@H](C)C[*:1]
CC(C)Oc1ccc(CNC(=O)N[C@H](C)Cc2ccco2)cn1 c1coc(c1)C[*:1] CC(C)Oc1ccc(cn1)CNC(=O)N[C@H](C)[*:1]
CC(C)Oc1ccc(CNC(=O)N[C@H](C)Cc2ccco2)cn1 CC(C)O[*:1] C[C@H](Cc1ccco1)NC(=O)NCc1ccc(nc1)[*:1]
CC(C)Oc1ccc(CNC(=O)N[C@H](C)Cc2ccco2)cn1 CC(C)[*:1] C[C@H](Cc1ccco1)NC(=O)NCc1ccc(nc1)O[*:1]
CCc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1 O=[N+]([O-])c1ccc(cc1)[*:1] CCc1ccc(cc1)-n1c(=O)c2c(C)c(C)sc2n(C[*:1])c1=O
CCc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1 CCc1ccc(cc1)[*:1] Cc1sc2c(c1C)c(=O)n(c(=O)n2Cc1ccc(cc1)[N+](=O)[O-])[*:1]
CCc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1 O=[N+]([O-])c1ccc(cc1)C[*:1] CCc1ccc(cc1)-n1c(=O)c2c(C)c(C)sc2n(c1=O)[*:1]
CCc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1 O=[N+]([O-])[*:1] CCc1ccc(cc1)-n1c(=O)c2c(C)c(C)sc2n(Cc2ccc(cc2)[*:1])c1=O
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])N[*:1]
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1 O=[N+]([O-])[*:1] O=C(/C=C/c1cccc(c1)[*:1])N[C@@H]1CCS(=O)(=O)C1
CCCn1ncc(C(=O)NC2(C#Cc3cnc4ccccc4c3)CCCCC2)c1C c1ccc2ncc(cc2c1)[*:1] CCCn1ncc(C(=O)NC2(C#C[*:1])CCCCC2)c1C
CCCn1ncc(C(=O)NC2(C#Cc3cnc4ccccc4c3)CCCCC2)c1C CCC[*:1] Cc1c(cnn1[*:1])C(=O)NC1(C#Cc2cnc3ccccc3c2)CCCCC1
CCCn1ncc(C(=O)NC2(C#Cc3cnc4ccccc4c3)CCCCC2)c1C CCCn1ncc(c1C)[*:1] O=C(NC1(C#Cc2cnc3ccccc3c2)CCCCC1)[*:1]
CCS(=O)(=O)CCN(C)C(=O)c1c(Cl)nc2ccccn12 CCS(=O)(=O)[*:1] CN(CC[*:1])C(=O)c1c(Cl)nc2ccccn12
CCS(=O)(=O)CCN(C)C(=O)c1c(Cl)nc2ccccn12 CCS(=O)(=O)C[*:1] CN(C[*:1])C(=O)c1c(Cl)nc2ccccn12
CCS(=O)(=O)CCN(C)C(=O)c1c(Cl)nc2ccccn12 CCS(=O)(=O)CC[*:1] CN(C(=O)c1c(Cl)nc2ccccn12)[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC([C@H](C)O)CC2)cc1 C[C@H](O)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)N1CCC(CC1)[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC([C@H](C)O)CC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](O)C1CCN(CC1)C(=O)[C@H]1CCC(=O)N1C[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC([C@H](C)O)CC2)cc1 Cc1ccc(cc1)C[*:1] C[C@H](O)C1CCN(CC1)C(=O)[C@H]1CCC(=O)N1[*:1]
CCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NC)N(c3ccccc3)C2=O)cc1 CNC(=O)[*:1] CCc1ccc(cc1)C[C@@H]1SC(=C(C#N)[*:1])N(C1=O)c1ccccc1
CCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NC)N(c3ccccc3)C2=O)cc1 CCc1ccc(cc1)C[*:1] CNC(=O)/C(C#N)=C1\S[C@H](C(=O)N1c1ccccc1)[*:1]
CCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NC)N(c3ccccc3)C2=O)cc1 CCc1ccc(cc1)[*:1] CNC(=O)/C(C#N)=C1\S[C@@H](C[*:1])C(=O)N1c1ccccc1
CCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NC)N(c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)C[C@@H]1S/C(=C(/C#N)C(=O)NC)N(C1=O)[*:1]
COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(o1)-c1cc(C(=O)N[C@H](C)[*:1])c2ccccc2n1
COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1OC Cc1ccc(o1)[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)c1cc(nc2ccccc12)[*:1]
Cc1ccc(-n2[nH]c(C(=O)N[C@H](c3ccccc3C)C3CC3)cc2=O)cc1 C1CC1[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N[C@H](c1ccccc1C)[*:1]
Cc1ccc(-n2[nH]c(C(=O)N[C@H](c3ccccc3C)C3CC3)cc2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccccc1[C@@H](NC(=O)c1cc(=O)n([nH]1)[*:1])C1CC1
Cc1ccc(-n2[nH]c(C(=O)N[C@H](c3ccccc3C)C3CC3)cc2=O)cc1 Cc1ccccc1[*:1] Cc1ccc(cc1)-n1[nH]c(cc1=O)C(=O)N[C@H](C1CC1)[*:1]
O=C1CN(C(=O)c2ccc(N3CCCCCC3)nc2)CCN1 C1CCCN(CC1)[*:1] O=C1CN(CCN1)C(=O)c1ccc(nc1)[*:1]
COc1ccc(S(=O)(=O)/N=C(\[O-])CCc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] COc1ccc(cc1)S(=O)(=O)/N=C(\[O-])CC[*:1]
COc1ccc(S(=O)(=O)/N=C(\[O-])CCc2ccc(C#N)cc2)cc1 COc1ccc(cc1)[*:1] N#Cc1ccc(cc1)CC/C([O-])=N/S(=O)(=O)[*:1]
CCn1cc(NC(=O)C2CCN(C(=O)CCc3ccccc3Cl)CC2)cn1 Clc1ccccc1CC[*:1] CCn1cc(cn1)NC(=O)C1CCN(CC1)C(=O)[*:1]
CCn1cc(NC(=O)C2CCN(C(=O)CCc3ccccc3Cl)CC2)cn1 CCn1cc(cn1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)CCc1ccccc1Cl
CCn1cc(NC(=O)C2CCN(C(=O)CCc3ccccc3Cl)CC2)cn1 Clc1ccccc1C[*:1] CCn1cc(cn1)NC(=O)C1CCN(CC1)C(=O)C[*:1]
CCn1cc(NC(=O)C2CCN(C(=O)CCc3ccccc3Cl)CC2)cn1 Clc1ccccc1[*:1] CCn1cc(cn1)NC(=O)C1CCN(CC1)C(=O)CC[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)NCC1(c2ccc(F)cc2)CCOCC1 Fc1ccc(cc1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)NCC1(CCOCC1)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)NCC1(c2ccc(F)cc2)CCOCC1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)NCC1(CCOCC1)c1ccc(F)cc1)[*:1]
CCOCc1cccc(NC(=O)NCc2n[nH]c(=S)n2C)c1 CCOC[*:1] Cn1c(CNC(=O)Nc2cccc(c2)[*:1])n[nH]c1=S
CCOCc1cccc(NC(=O)NCc2n[nH]c(=S)n2C)c1 Cn1c(n[nH]c1=S)[*:1] CCOCc1cccc(c1)NC(=O)NC[*:1]
CCOCc1cccc(NC(=O)NCc2n[nH]c(=S)n2C)c1 CCO[*:1] Cn1c(CNC(=O)Nc2cccc(c2)C[*:1])n[nH]c1=S
CC(C)c1n[nH]c(S[C@@H](C(=O)Nc2ccc(F)cc2)C(C)C)n1 CC(C)[*:1] CC(C)c1n[nH]c(n1)S[C@@H](C(=O)Nc1ccc(F)cc1)[*:1]
CC(C)c1n[nH]c(S[C@@H](C(=O)Nc2ccc(F)cc2)C(C)C)n1 Fc1ccc(cc1)[*:1] CC(C)c1n[nH]c(n1)S[C@@H](C(=O)N[*:1])C(C)C
CC(C)c1n[nH]c(S[C@@H](C(=O)Nc2ccc(F)cc2)C(C)C)n1 CC(C)[*:1] CC(C)[C@@H](Sc1nc(n[nH]1)[*:1])C(=O)Nc1ccc(F)cc1
O=C(c1sc2ncccc2c1-n1cccc1)N1CCOCC1 c1ccn(c1)[*:1] O=C(c1sc2ncccc2c1[*:1])N1CCOCC1
C[C@H](O)c1ccc(Br)c(F)c1 C[C@H](O)[*:1] Fc1cc(ccc1Br)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3cc(F)ccc3C)C2)c1 CCOC(=O)[*:1] Cc1ccc(F)cc1C(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3cc(F)ccc3C)C2)c1 Cc1ccc(F)cc1[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)[*:1]
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] CN(C)c1ccc(cc1NC(=O)C=C[*:1])C(F)(F)F
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2 CN(C)[*:1] O=C(/C=C/c1ccc2OCOc2c1)Nc1cc(ccc1[*:1])C(F)(F)F
CN(C)c1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2 FC(F)(F)[*:1] CN(C)c1ccc(cc1NC(=O)/C=C/c1ccc2OCOc2c1)[*:1]
CCN(Cc1ccccn1)C(=O)c1cc(N)n[nH]1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1cc(N)n[nH]1
CCN(Cc1ccccn1)C(=O)c1cc(N)n[nH]1 Nc1cc([nH]n1)[*:1] CCN(Cc1ccccn1)C(=O)[*:1]
CC(C)C[NH+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)CC1 CC(C)[*:1] O=C(CCC(=O)N1CC[NH+](CC1)C[*:1])c1ccc2OCCOc2c1
CC(C)C[NH+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)CC1 CC(C)C[*:1] O=C(CCC(=O)N1CC[NH+](CC1)[*:1])c1ccc2OCCOc2c1
CN1C(=O)N[C@@H](c2ccc(O)cc2)C2=C1CN(c1cccc3ccccc13)C2=O Oc1ccc(cc1)[*:1] CN1C(=O)N[C@@H](C2C(=O)N(CC=21)c1cccc2ccccc12)[*:1]
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCn2nc(C)c(Cl)c2C)cc1 Cc1nn(C[*:1])c(C)c1Cl COc1ccc(cc1)[C@H]1C(C(C)=O)=C(O)C(=O)N1C[*:1]
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCn2nc(C)c(Cl)c2C)cc1 CC(=O)[*:1] COc1ccc(cc1)[C@H]1C(=C(O)C(=O)N1CCn1nc(C)c(Cl)c1C)[*:1]
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCn2nc(C)c(Cl)c2C)cc1 Cc1nn(c(C)c1Cl)[*:1] COc1ccc(cc1)[C@H]1C(C(C)=O)=C(O)C(=O)N1CC[*:1]
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCn2nc(C)c(Cl)c2C)cc1 COc1ccc(cc1)[*:1] CC(=O)C1=C(O)C(=O)N(CCn2nc(C)c(Cl)c2C)[C@H]1[*:1]
Cc1noc(CCNC(=O)/C=C/c2ccc(Br)s2)n1 Brc1ccc(s1)[*:1] Cc1noc(CCNC(=O)C=C[*:1])n1
Cc1noc(CCNC(=O)/C=C/c2ccc(Br)s2)n1 Cc1noc(n1)[*:1] O=C(/C=C/c1ccc(Br)s1)NCC[*:1]
C#Cc1cc(F)c(NC(=O)c2ccc([S@](C)=O)cc2)c(F)c1 C[S@](=O)[*:1] C#Cc1cc(F)c(NC(=O)c2ccc(cc2)[*:1])c(F)c1
CC[NH2+][C@H](CS[C@@H](C)CC)[C@@H]1CCc2cccnc21 CC[C@H](C)SC[*:1] CC[NH2+][C@H]([C@@H]1CCc2cccnc21)[*:1]
CC[NH2+][C@H](CS[C@@H](C)CC)[C@@H]1CCc2cccnc21 CC[C@H](C)[*:1] CC[NH2+][C@H](CS[*:1])[C@@H]1CCc2cccnc21
CC[NH2+][C@H](CS[C@@H](C)CC)[C@@H]1CCc2cccnc21 CC[C@H](C)S[*:1] CC[NH2+][C@H](C[*:1])[C@@H]1CCc2cccnc21
COCCOc1ccc(CNC(=O)N2CCC[C@@H]2C2CCCC2)cc1 C1CCC(C1)[*:1] COCCOc1ccc(cc1)CNC(=O)N1CCC[C@H]1[*:1]
COCCOc1ccc(CNC(=O)N2CCC[C@@H]2C2CCCC2)cc1 COCCO[*:1] O=C(NCc1ccc(cc1)[*:1])N1CCC[C@@H]1C1CCCC1
COCCOc1ccc(CNC(=O)N2CCC[C@@H]2C2CCCC2)cc1 COC[*:1] O=C(NCc1ccc(cc1)OC[*:1])N1CCC[C@@H]1C1CCCC1
COCCOc1ccc(CNC(=O)N2CCC[C@@H]2C2CCCC2)cc1 COCC[*:1] O=C(NCc1ccc(cc1)O[*:1])N1CCC[C@@H]1C1CCCC1
C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@@H](C#N)CCC#N)C1=O N#CC[*:1] C[C@@]1(NC(=O)N(C[C@@H](C#N)C[*:1])C1=O)c1ccc2OCOc2c1
C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@@H](C#N)CCC#N)C1=O N#CCC[*:1] C[C@@]1(NC(=O)N(C[C@@H](C#N)[*:1])C1=O)c1ccc2OCOc2c1
C[NH+](CC(=O)Nc1nc2c(s1)COCC2)C1CC1 C1CC1[*:1] C[NH+](CC(=O)Nc1nc2CCOCc2s1)[*:1]
CCN1CCO[C@H](c2noc(C[NH2+]C3CCCC3)n2)C1 C1CCC(C1)[*:1] CCN1CCO[C@@H](C1)c1noc(C[NH2+][*:1])n1
C[C@H](N[C@H](C)C[C@H]1CCCC[NH2+]1)c1nncn1C Cn1cnnc1[*:1] C[C@H](N[C@H](C)C[C@H]1CCCC[NH2+]1)[*:1]
Cc1oc(-c2ccccc2)nc1C(=O)NCCc1nnc2ccccn12 c1ccc(cc1)[*:1] Cc1oc(nc1C(=O)NCCc1nnc2ccccn12)[*:1]
COc1cc(C(=O)O[C@@H](C)c2cccc(F)c2)cc(OC)c1OC Fc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)O[C@@H](C)[*:1]
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCCc1cc(F)ccc1F Cc1nn(C)c(C)c1[*:1] C[C@H](C[*:1])NC(=O)CCCc1cc(F)ccc1F
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCCc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCC[*:1]
C[C@H](CCc1cccc(F)c1)C(=O)Nc1cccn(C)c1=O Fc1cccc(c1)[*:1] C[C@H](CC[*:1])C(=O)Nc1cccn(C)c1=O
O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc(F)c(F)c(F)c1F FC(F)(F)[*:1] O=C(Nc1cc(c[nH]c1=O)[*:1])c1cc(F)c(F)c(F)c1F
CC(=O)c1c(C)[nH]c(C(=O)N2CCC(OCc3ccccc3C)CC2)c1C(C)C Cc1ccccc1CO[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)[*:1])c1C(C)C
CC(=O)c1c(C)[nH]c(C(=O)N2CCC(OCc3ccccc3C)CC2)c1C(C)C CC(=O)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)c1[nH]c(C)c(c1C(C)C)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CCC(OCc3ccccc3C)CC2)c1C(C)C CC(C)[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)OCc2ccccc2C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)N2CCC(OCc3ccccc3C)CC2)c1C(C)C Cc1ccccc1[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)OC[*:1])c1C(C)C
CC(=O)c1c(C)[nH]c(C(=O)N2CCC(OCc3ccccc3C)CC2)c1C(C)C Cc1ccccc1C[*:1] CC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC2)O[*:1])c1C(C)C
C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 O=C(NC[C@H]1CCCO1)[*:1] C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1[*:1]
C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 c1ccc2c(cccc2c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C2(C)OCCO2)CC1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)CC[NH+]1CCC(CC1)C1(C)OCCO1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C2(C)OCCO2)CC1 CC1(OCCO1)[*:1] Cc1cc(ccc1NC(=O)CC[NH+]1CCC(CC1)[*:1])[N+](=O)[O-]
COc1ccc([C@@H](O)CNC(=O)N[C@H](c2nccs2)C2CC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@H](O)[*:1])N[C@H](c1nccs1)C1CC1
COc1ccc([C@@H](O)CNC(=O)N[C@H](c2nccs2)C2CC2)cc1 c1csc(n1)[*:1] COc1ccc(cc1)[C@@H](O)CNC(=O)N[C@H](C1CC1)[*:1]
COc1ccc([C@@H](O)CNC(=O)N[C@H](c2nccs2)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@@H](O)CNC(=O)N[C@H](c1nccs1)[*:1]
CCOc1ccc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)N1CCC(CC1)(C(=O)[O-])c1ccccc1
CCOc1ccc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1OC c1ccc(cc1)[*:1] CCOc1ccc(cc1OC)C(=O)N1CCC(CC1)(C(=O)[O-])[*:1]
CCOc1ccc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1OC O=C([O-])[*:1] CCOc1ccc(cc1OC)C(=O)N1CCC(CC1)(c1ccccc1)[*:1]
CC(C)NC(=O)c1cc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)nc2ccccc12 C1CCc2c(n[nH]c2C1)[*:1] CC(C)NC(=O)c1cc(nc2ccccc12)[C@H]1CN(CCO1)C(=O)[*:1]
CC(C)NC(=O)c1cc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)nc2ccccc12 CC(C)NC(=O)[*:1] O=C(c1n[nH]c2CCCCc12)N1CCO[C@H](C1)c1cc(c2ccccc2n1)[*:1]
CC(C)NC(=O)c1cc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)nc2ccccc12 CC(C)[*:1] O=C(N[*:1])c1cc(nc2ccccc12)[C@H]1CN(CCO1)C(=O)c1n[nH]c2CCCCc12
C[C@H](NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)NC[C@H]1CC[C@@H](O1)C(=O)N(C)C)[*:1]
C[C@H](NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccncc1 CN(C)C(=O)[*:1] C[C@H](NC(=O)NC[C@H]1CC[C@H](O1)[*:1])c1ccncc1
C[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccccc1Br Brc1ccccc1[*:1] C[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)[*:1]
O=C(c1cccc(N2CCCC2=O)c1)N1CCC2(CC1)OCCO2 O=C1CCCN1[*:1] O=C(c1cccc(c1)[*:1])N1CCC2(CC1)OCCO2
O=[N+]([O-])c1cnccc1NCc1ccc(Oc2cccnc2)c(F)c1 c1cncc(c1)[*:1] O=[N+]([O-])c1cnccc1NCc1ccc(O[*:1])c(F)c1
O=[N+]([O-])c1cnccc1NCc1ccc(Oc2cccnc2)c(F)c1 c1cncc(c1)O[*:1] O=[N+]([O-])c1cnccc1NCc1ccc(c(F)c1)[*:1]
O=[N+]([O-])c1cnccc1NCc1ccc(Oc2cccnc2)c(F)c1 O=[N+]([O-])[*:1] Fc1cc(ccc1Oc1cccnc1)CNc1ccncc1[*:1]
CC(C)n1nccc1NC(=O)c1ccc2c(c1)Cc1ccccc1-2 CC(C)n1nccc1[*:1] O=C(N[*:1])c1ccc2c(c1)Cc1ccccc1-2
CC(C)n1nccc1NC(=O)c1ccc2c(c1)Cc1ccccc1-2 CC(C)[*:1] O=C(Nc1ccnn1[*:1])c1ccc2c(c1)Cc1ccccc1-2
Cc1c(NC(=O)CCc2nc(C(C)C)no2)sc2c1CCCC2 CC(C)[*:1] Cc1c(NC(=O)CCc2nc(no2)[*:1])sc2CCCCc21
O=C([O-])[C@H]1CC[C@H](CN2C(=O)c3cccnc3C2=O)O1 O=C([O-])[*:1] O=C1c2cccnc2C(=O)N1C[C@H]1CC[C@@H](O1)[*:1]
CCOc1ccc(NC(=O)Cn2cnc3sccc3c2=O)cc1 CCO[*:1] O=C(Cn1cnc2sccc2c1=O)Nc1ccc(cc1)[*:1]
CCc1nn(C)cc1NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 CCc1nn(C)cc1[*:1] C[C@H](SCC(=O)N[*:1])c1nc2ccccc2[nH]1
O=C(C[C@H](C(=O)[O-])c1ccccc1)Nc1ccc(Cl)cc1Cl O=C([O-])[*:1] O=C(C[C@H](c1ccccc1)[*:1])Nc1ccc(Cl)cc1Cl
O=C(C[C@H](C(=O)[O-])c1ccccc1)Nc1ccc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(C[C@H](C(=O)[O-])[*:1])Nc1ccc(Cl)cc1Cl
C/C=C(\C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 C/C=C(\C)C(=O)N[*:1] CC[NH+]1CCN(CC1)c1ccccc1[*:1]
C/C=C(\C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 CC=C(C)[*:1] CC[NH+]1CCN(CC1)c1ccccc1NC(=O)[*:1]
Cc1cc(Br)cc(C)c1N1/C(=N/C(=O)Cc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21 c1ccc(cc1)C[*:1] Cc1cc(Br)cc(C)c1N1/C(=N/C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1cc(Br)cc(C)c1N1/C(=N/C(=O)Cc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21 c1ccc(cc1)[*:1] Cc1cc(Br)cc(C)c1N1/C(=N/C(=O)C[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
Cc1cc(Br)cc(C)c1N1/C(=N/C(=O)Cc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21 Cc1cc(Br)cc(C)c1[*:1] O=C(Cc1ccccc1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1 COC(=O)[*:1] O=C(N[C@H](c1ccccc1)[*:1])[C@@H]1C[C@@H]1c1cccc(Br)c1
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1 Brc1cccc(c1)[*:1] COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1[*:1])c1ccccc1
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)[*:1]
CC/[NH+]=C(/NCC1([O-])CCC1)N[C@H](C)C(C)C [O-]C1(CCC1)[*:1] CC/[NH+]=C(/NC[*:1])N[C@H](C)C(C)C
CC/[NH+]=C(/NCC1([O-])CCC1)N[C@H](C)C(C)C CC(C)[*:1] CC/[NH+]=C(/NCC1([O-])CCC1)N[C@H](C)[*:1]
CC/[NH+]=C(/NCC1([O-])CCC1)N[C@H](C)C(C)C CC(C)[C@@H](C)[*:1] CC/[NH+]=C(/NCC1([O-])CCC1)N[*:1]
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1cccc2ccccc12 c1ccc2c(cccc2c1)[*:1] C[C@H](NC(=O)c1ccc2C(=O)N(C[C@@H]3CCCO3)C(=O)c2c1)[*:1]
C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1cccc2ccccc12 C1CO[C@@H](C1)C[*:1] C[C@H](NC(=O)c1ccc2C(=O)N(C(=O)c2c1)[*:1])c1cccc2ccccc12
CN(Cc1cccc2ccccc12)C(=O)NCCNC(=O)C1CC1 O=C(NCC[*:1])C1CC1 CN(Cc1cccc2ccccc12)C(=O)N[*:1]
CN(Cc1cccc2ccccc12)C(=O)NCCNC(=O)C1CC1 O=C(NC[*:1])C1CC1 CN(Cc1cccc2ccccc12)C(=O)NC[*:1]
CN(Cc1cccc2ccccc12)C(=O)NCCNC(=O)C1CC1 C1CC1[*:1] CN(Cc1cccc2ccccc12)C(=O)NCCNC(=O)[*:1]
CN(Cc1cccc2ccccc12)C(=O)NCCNC(=O)C1CC1 O=C(N[*:1])C1CC1 CN(Cc1cccc2ccccc12)C(=O)NCC[*:1]
Cc1ccc([S@@](=O)Cc2cc(C)[nH+]c3ccccc23)nc1 Cc1ccc(nc1)[*:1] Cc1cc(C[S@](=O)[*:1])c2ccccc2[nH+]1
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](c1ccccc1)c1ccncc1 Cc1nn(C)c(C)c1[*:1] O=C(N[C@@H](c1ccccc1)c1ccncc1)C(=O)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](c1ccncc1)[*:1]
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)C[C@@]1(C)CC(=O)N(CC(=O)NC(C)(C)C)C1=O CC(C)[*:1] CC(C)(C)NC(=O)CN1C(=O)C[C@](C)(C[*:1])C1=O
CC(C)C[C@@]1(C)CC(=O)N(CC(=O)NC(C)(C)C)C1=O CC(C)(C)[*:1] CC(C)C[C@@]1(C)CC(=O)N(CC(=O)N[*:1])C1=O
CC(C)C[C@@]1(C)CC(=O)N(CC(=O)NC(C)(C)C)C1=O CC(C)C[*:1] CC(C)(C)NC(=O)CN1C(=O)C[C@](C)(C1=O)[*:1]
O=C1C[C@H](c2ccccc2)N1C1(C(=O)NC2CCCC2)CCCC1 c1ccc(cc1)[*:1] O=C1C[C@H](N1C1(CCCC1)C(=O)NC1CCCC1)[*:1]
O=C1C[C@H](c2ccccc2)N1C1(C(=O)NC2CCCC2)CCCC1 O=C(NC1CCCC1)[*:1] O=C1C[C@H](c2ccccc2)N1C1(CCCC1)[*:1]
O=C1C[C@H](c2ccccc2)N1C1(C(=O)NC2CCCC2)CCCC1 C1CCC(C1)[*:1] O=C1C[C@H](c2ccccc2)N1C1(CCCC1)C(=O)N[*:1]
CN(C)c1cccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)c1 CC(C)(C)C[*:1] CN(C)c1cccc(c1)C[NH2+]C1CCN(CC1)C(=O)[*:1]
CN(C)c1cccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)c1 CC(C)(C)[*:1] CN(C)c1cccc(c1)C[NH2+]C1CCN(CC1)C(=O)C[*:1]
CN(C)c1cccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)c1 CN(C)[*:1] CC(C)(C)CC(=O)N1CCC(CC1)[NH2+]Cc1cccc(c1)[*:1]
CCC(=O)Nc1cc(SCCO)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCC(=O)Nc1cc(cc(c1)[*:1])SCCO
CCC(=O)Nc1cc(SCCO)cc([N+](=O)[O-])c1 CCC(=O)N[*:1] O=[N+]([O-])c1cc(cc(c1)[*:1])SCCO
CCC(=O)Nc1cc(SCCO)cc([N+](=O)[O-])c1 OCC[*:1] CCC(=O)Nc1cc(cc(c1)[N+](=O)[O-])S[*:1]
CCC(=O)Nc1cc(SCCO)cc([N+](=O)[O-])c1 OCCS[*:1] CCC(=O)Nc1cc(cc(c1)[*:1])[N+](=O)[O-]
NC(=O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] NC(=O)c1ccc(c(c1)CS(=O)(=O)[*:1])[N+](=O)[O-]
NC(=O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 NC(=O)[*:1] O=[N+]([O-])c1ccc(cc1CS(=O)(=O)c1ccc(Cl)cc1)[*:1]
NC(=O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(c(c1)CS(=O)(=O)c1ccc(Cl)cc1)[*:1]
COC(=O)[C@]1(Nc2ccccc2C)CCCCC1(C)C COC(=O)[*:1] Cc1ccccc1N[C@@]1(CCCCC1(C)C)[*:1]
Cc1ccc([C@@H](C)NC(=O)Cc2csc(-c3cccs3)n2)o1 c1csc(c1)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)Cc1csc(n1)[*:1]
Cc1ccc([C@@H](C)NC(=O)Cc2csc(-c3cccs3)n2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)Cc1csc(n1)-c1cccs1)[*:1]
C[C@@H]1CN(Cc2ccccc2)CCN1CN1C(=O)[C@H]2CCC[C@H]21 c1ccc(cc1)[*:1] C[C@@H]1CN(CCN1CN1C(=O)[C@H]2CCC[C@H]21)C[*:1]
C[C@@H]1CN(Cc2ccccc2)CCN1CN1C(=O)[C@H]2CCC[C@H]21 c1ccc(cc1)C[*:1] C[C@@H]1CN(CCN1CN1C(=O)[C@H]2CCC[C@H]21)[*:1]
Cc1nc(CN2CC[NH+]([C@H]3CCC[C@@H](C4CC4)C3)CC2)cs1 C1CC1[*:1] Cc1nc(cs1)CN1CC[NH+](CC1)[C@H]1CCC[C@@H](C1)[*:1]
Cc1nc(CN2CC[NH+]([C@H]3CCC[C@@H](C4CC4)C3)CC2)cs1 Cc1nc(cs1)C[*:1] C1C[C@@H](C[C@@H](C1)C1CC1)[NH+]1CCN(CC1)[*:1]
Cc1nc(CN2CC[NH+]([C@H]3CCC[C@@H](C4CC4)C3)CC2)cs1 Cc1nc(cs1)[*:1] C1C[C@@H](C[C@@H](C1)C1CC1)[NH+]1CCN(CC1)C[*:1]
Cc1ccc(C(=O)C2CC2)cc1C C1CC1[*:1] Cc1ccc(cc1C)C(=O)[*:1]
Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccccc1 FC(F)(F)[*:1] Nn1c(nnc1-c1ccccc1)SCC(=O)Nc1cc(ccc1Cl)[*:1]
Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1cc(ccc1Cl)C(F)(F)F
CCN(C(=O)c1cc(C)no1)[C@H](c1cccnc1)c1cc(C)cc(C)c1 Cc1cc(C)cc(c1)[*:1] CCN(C(=O)c1cc(C)no1)[C@H](c1cccnc1)[*:1]
CCN(C(=O)c1cc(C)no1)[C@H](c1cccnc1)c1cc(C)cc(C)c1 Cc1cc(on1)[*:1] CCN(C(=O)[*:1])[C@H](c1cccnc1)c1cc(C)cc(C)c1
CCN(C(=O)c1cc(C)no1)[C@H](c1cccnc1)c1cc(C)cc(C)c1 c1cncc(c1)[*:1] CCN(C(=O)c1cc(C)no1)[C@H](c1cc(C)cc(C)c1)[*:1]
O=C(NC1(c2ccccc2)CCC1)c1c[nH]c(=O)c(Cl)c1 c1ccc(cc1)[*:1] O=C(NC1(CCC1)[*:1])c1c[nH]c(=O)c(Cl)c1
CCN(Cc1ccco1)[C@]1(C[NH3+])CCCC1(C)C c1coc(c1)[*:1] CCN(C[*:1])[C@]1(C[NH3+])CCCC1(C)C
CCN(Cc1ccco1)[C@]1(C[NH3+])CCCC1(C)C c1coc(c1)C[*:1] CCN([C@]1(C[NH3+])CCCC1(C)C)[*:1]
O=C(Nc1cccnc1N1CCOCC1)[C@H]1COc2ccc(F)cc2C1 C1CN(CCO1)[*:1] O=C(Nc1cccnc1[*:1])[C@H]1COc2ccc(F)cc2C1
Cc1csc([C@@H](C)NC(=O)C[C@@H](NC(N)=O)c2cccs2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)[*:1]
Cc1csc([C@@H](C)NC(=O)C[C@@H](NC(N)=O)c2cccs2)n1 NC(=O)N[*:1] Cc1csc(n1)[C@@H](C)NC(=O)C[C@@H](c1cccs1)[*:1]
Cc1csc([C@@H](C)NC(=O)C[C@@H](NC(N)=O)c2cccs2)n1 c1csc(c1)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)C[C@@H](NC(N)=O)[*:1]
C[C@@H]1CCC[C@@]([C@H]([NH3+])Cc2cnn(C)c2)(N(C)C)C1 CN(C)[*:1] C[C@@H]1CCC[C@](C1)([C@H]([NH3+])Cc1cnn(C)c1)[*:1]
C[C@@H]1CCC[C@@]([C@H]([NH3+])Cc2cnn(C)c2)(N(C)C)C1 Cn1cc(cn1)[*:1] C[C@@H]1CCC[C@@](C1)([C@H]([NH3+])C[*:1])N(C)C
COc1ccccc1CNC(=O)Cc1cc(-c2cc3ccccc3o2)on1 c1ccc2oc(cc2c1)[*:1] COc1ccccc1CNC(=O)Cc1cc(on1)[*:1]
COc1ccccc1CNC(=O)Cc1cc(-c2cc3ccccc3o2)on1 COc1ccccc1[*:1] O=C(Cc1cc(on1)-c1cc2ccccc2o1)NC[*:1]
COc1ccccc1CNC(=O)Cc1cc(-c2cc3ccccc3o2)on1 COc1ccccc1C[*:1] O=C(Cc1cc(on1)-c1cc2ccccc2o1)N[*:1]
O=C(C[C@H]1SC[C@@H](C(=O)[O-])NC1=O)Nc1cccc(Cl)c1 O=C([O-])[*:1] O=C(C[C@H]1SC[C@@H](NC1=O)[*:1])Nc1cccc(Cl)c1
O=C(C[C@H]1SC[C@@H](C(=O)[O-])NC1=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(C[C@H]1SC[C@H](NC1=O)C(=O)[O-])N[*:1]
Cc1ccc([C@@](O)(CC(=O)NC[C@](C)(O)C(C)C)C(F)(F)F)o1 CC(C)[C@@](C)(O)C[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)N[*:1])C(F)(F)F
Cc1ccc([C@@](O)(CC(=O)NC[C@](C)(O)C(C)C)C(F)(F)F)o1 CC(C)[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)NC[C@](C)(O)[*:1])C(F)(F)F
Cc1ccc([C@@](O)(CC(=O)NC[C@](C)(O)C(C)C)C(F)(F)F)o1 CC(C)[C@](C)(O)[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)NC[*:1])C(F)(F)F
Cc1ccc([C@@](O)(CC(=O)NC[C@](C)(O)C(C)C)C(F)(F)F)o1 Cc1ccc(o1)[*:1] CC(C)[C@@](C)(O)CNC(=O)C[C@](O)(C(F)(F)F)[*:1]
Cc1ccc([C@@](O)(CC(=O)NC[C@](C)(O)C(C)C)C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@@](O)(CC(=O)NC[C@](C)(O)C(C)C)[*:1]
CC1CCN(C(=O)c2cccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)c2)CC1 CC1CCN(CC1)C(=O)[*:1] O=C(NC(=S)Nc1cccc(c1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC1CCN(C(=O)c2cccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)c2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] CC1CCN(CC1)C(=O)c1cccc(c1)NC(=S)NC(=O)[*:1]
CC1CCN(C(=O)c2cccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)c2)CC1 O=[N+]([O-])[*:1] CC1CCN(CC1)C(=O)c1cccc(c1)NC(=S)NC(=O)c1cccc(c1)[*:1]
CN(C)C(=O)Sc1ccc(COc2ccc(Cl)cc2C(N)=O)cc1 CN(C)C(=O)S[*:1] NC(=O)c1cc(Cl)ccc1OCc1ccc(cc1)[*:1]
CN(C)C(=O)Sc1ccc(COc2ccc(Cl)cc2C(N)=O)cc1 NC(=O)[*:1] CN(C)C(=O)Sc1ccc(cc1)COc1ccc(Cl)cc1[*:1]
CNC(=O)C[NH+](C)Cc1nc(-c2cc(OC)ccc2OC)oc1C CNC(=O)C[*:1] COc1ccc(OC)c(c1)-c1nc(C[NH+](C)[*:1])c(C)o1
CNC(=O)C[NH+](C)Cc1nc(-c2cc(OC)ccc2OC)oc1C CNC(=O)[*:1] COc1ccc(OC)c(c1)-c1nc(C[NH+](C)C[*:1])c(C)o1
O=C1CCC(=O)N1CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] O=C1CCC(=O)N1CC[NH2+][C@@H]1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)c1ccc(F)cc1)C[*:1]
CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)[*:1])Cc1ccc(F)cc1
CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] CCOC(=O)[C@]1(CCCN(C1)C(=O)c1ccc(F)cc1)[*:1]
CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccc(F)cc2)C1 CCOC(=O)[*:1] O=C(c1ccc(F)cc1)N1CCC[C@](Cc2ccc(F)cc2)(C1)[*:1]
CCCS(=O)(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C c1cc(ccn1)[*:1] CCCS(=O)(=O)N[C@H](c1nc(no1)[*:1])C(C)C
CCCS(=O)(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C CCC[*:1] CC(C)[C@H](NS(=O)(=O)[*:1])c1nc(no1)-c1ccncc1
CCCS(=O)(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C CCCS(=O)(=O)N[*:1] CC(C)[C@@H](c1nc(no1)-c1ccncc1)[*:1]
CCCS(=O)(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C CC(C)[*:1] CCCS(=O)(=O)N[C@H](c1nc(no1)-c1ccncc1)[*:1]
CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)c2)cn1 CNC(=O)c1ccc(cn1)[*:1] Cc1cc(cc(n1)[C@@H]1CCCN(C1)C(=O)COc1ccccc1)[*:1]
CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)c2)cn1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(cn1)-c1cc(C)nc(c1)[C@@H]1CCCN(C1)C(=O)CO[*:1]
CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)c2)cn1 CNC(=O)[*:1] Cc1cc(cc(n1)[C@@H]1CCCN(C1)C(=O)COc1ccccc1)-c1ccc(nc1)[*:1]
CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)c2)cn1 c1ccc(cc1)OC[*:1] CNC(=O)c1ccc(cn1)-c1cc(C)nc(c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)c2)cn1 c1ccc(cc1)O[*:1] CNC(=O)c1ccc(cn1)-c1cc(C)nc(c1)[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1nc(SCC(=O)NC2CC2)c2ccccc2n1 C1CC1[*:1] Cc1nc(SCC(=O)N[*:1])c2ccccc2n1
Cc1nc(SCC(=O)NC2CC2)c2ccccc2n1 O=C(NC1CC1)[*:1] Cc1nc(SC[*:1])c2ccccc2n1
COc1ccc([C@@H]2CC(=O)c3cc(C(=O)NCc4ccccc4)c(=O)[nH]c3C2)cc1 O=C(NCc1ccccc1)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)c2cc(c(=O)[nH]c2C1)[*:1]
COc1ccc([C@@H]2CC(=O)c3cc(C(=O)NCc4ccccc4)c(=O)[nH]c3C2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H]1CC(=O)c2cc(C(=O)NC[*:1])c(=O)[nH]c2C1
COc1ccc([C@@H]2CC(=O)c3cc(C(=O)NCc4ccccc4)c(=O)[nH]c3C2)cc1 COc1ccc(cc1)[*:1] O=C1C[C@H](Cc2[nH]c(=O)c(cc21)C(=O)NCc1ccccc1)[*:1]
COc1ccc([C@@H]2CC(=O)c3cc(C(=O)NCc4ccccc4)c(=O)[nH]c3C2)cc1 c1ccc(cc1)C[*:1] COc1ccc(cc1)[C@@H]1CC(=O)c2cc(C(=O)N[*:1])c(=O)[nH]c2C1
CC(C)Cc1ccc(-c2[nH]ncc2C=O)cc1 CC(C)C[*:1] O=Cc1cn[nH]c1-c1ccc(cc1)[*:1]
CC(C)Cc1ccc(-c2[nH]ncc2C=O)cc1 CC(C)[*:1] O=Cc1cn[nH]c1-c1ccc(cc1)C[*:1]
CCc1nn(C)cc1NC(=O)N[C@H](CC)CO CC[C@H](CO)[*:1] CCc1nn(C)cc1NC(=O)N[*:1]
CC(C)[NH2+]CCS(=O)(=O)N1C[C@@H](C)[C@@H](C)C1 CC(C)[*:1] C[C@@H]1CN(C[C@@H]1C)S(=O)(=O)CC[NH2+][*:1]
Cc1cc(C)cc(CSCc2ccc(C#CCCO)s2)c1 OCCC#C[*:1] Cc1cc(C)cc(c1)CSCc1ccc(s1)[*:1]
Cc1cc(C)cc(CSCc2ccc(C#CCCO)s2)c1 OCC[*:1] Cc1cc(C)cc(c1)CSCc1ccc(C#C[*:1])s1
O=C(Nc1nc2c(s1)COCC2)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] O=C(Nc1nc2CCOCc2s1)c1cccc(c1)[*:1]
Cc1nc([O-])c(C#N)cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC(N)=O)C1 NC(=O)[*:1] Cc1nc([O-])c(C#N)cc1C(=O)N1CCC[C@H](C1)c1[nH+]ccn1C[*:1]
Cc1nc([O-])c(C#N)cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC(N)=O)C1 NC(=O)C[*:1] Cc1nc([O-])c(C#N)cc1C(=O)N1CCC[C@H](C1)c1[nH+]ccn1[*:1]
CCc1noc(CC)c1CNC(=O)NCCc1ccc(C)cc1 Cc1ccc(cc1)[*:1] CCc1noc(CC)c1CNC(=O)NCC[*:1]
O=C([O-])COc1cc(-c2ccncc2)nc(Nc2ccccc2Br)n1 O=C([O-])CO[*:1] Brc1ccccc1Nc1nc(cc(n1)[*:1])-c1ccncc1
O=C([O-])COc1cc(-c2ccncc2)nc(Nc2ccccc2Br)n1 O=C([O-])C[*:1] Brc1ccccc1Nc1nc(cc(n1)-c1ccncc1)O[*:1]
O=C([O-])COc1cc(-c2ccncc2)nc(Nc2ccccc2Br)n1 c1cc(ccn1)[*:1] O=C([O-])COc1cc(nc(n1)Nc1ccccc1Br)[*:1]
O=C([O-])COc1cc(-c2ccncc2)nc(Nc2ccccc2Br)n1 Brc1ccccc1N[*:1] O=C([O-])COc1cc(nc(n1)[*:1])-c1ccncc1
O=C([O-])COc1cc(-c2ccncc2)nc(Nc2ccccc2Br)n1 Brc1ccccc1[*:1] O=C([O-])COc1cc(nc(n1)N[*:1])-c1ccncc1
O=C([O-])COc1cc(-c2ccncc2)nc(Nc2ccccc2Br)n1 O=C([O-])[*:1] Brc1ccccc1Nc1nc(cc(n1)-c1ccncc1)OC[*:1]
Cc1ccccc1N1C(=O)N(CC(=O)Nc2nccs2)c2ccccc2S1(=O)=O Cc1ccccc1[*:1] O=C(CN1C(=O)N(S(=O)(=O)c2ccccc21)[*:1])Nc1nccs1
Cc1ccccc1N1C(=O)N(CC(=O)Nc2nccs2)c2ccccc2S1(=O)=O O=C(Nc1nccs1)[*:1] Cc1ccccc1N1C(=O)N(C[*:1])c2ccccc2S1(=O)=O
Cc1ccccc1N1C(=O)N(CC(=O)Nc2nccs2)c2ccccc2S1(=O)=O O=C(C[*:1])Nc1nccs1 Cc1ccccc1N1C(=O)N(c2ccccc2S1(=O)=O)[*:1]
Cc1ccccc1N1C(=O)N(CC(=O)Nc2nccs2)c2ccccc2S1(=O)=O c1csc(n1)[*:1] Cc1ccccc1N1C(=O)N(CC(=O)N[*:1])c2ccccc2S1(=O)=O
COc1cc2c(cc1OC)C(CS(=O)(=O)c1ccc(Cl)cc1)=NCC2 Clc1ccc(cc1)[*:1] COc1cc2CCN=C(CS(=O)(=O)[*:1])c2cc1OC
CCC[C@@H]1NC(=O)N(CCCn2cc(N)ccc2=O)C1=O CCC[*:1] Nc1ccc(=O)n(c1)CCCN1C(=O)N[C@H](C1=O)[*:1]
CCOc1cc(C(=O)N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC CCO[*:1] COc1cc(c(cc1[*:1])C(=O)N1CCCC[C@@H]1C)[N+](=O)[O-]
CCOc1cc(C(=O)N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] CCOc1cc(C(=O)N2CCCC[C@@H]2C)c(cc1OC)[*:1]
CCOc1ccc(CCC(=O)Nc2ccc3oc(C)nc3c2)cc1 CCO[*:1] Cc1nc2cc(ccc2o1)NC(=O)CCc1ccc(cc1)[*:1]
CCc1nn2c(nnc3c(=O)n([C@H](C(=O)[O-])C(C)C)ccc32)c1-c1ccc(Cl)cc1 CC(C)[*:1] CCc1nn2c(nnc3c(=O)n(ccc32)[C@H](C(=O)[O-])[*:1])c1-c1ccc(Cl)cc1
CCc1nn2c(nnc3c(=O)n([C@H](C(=O)[O-])C(C)C)ccc32)c1-c1ccc(Cl)cc1 O=C([O-])[*:1] CCc1nn2c(nnc3c(=O)n(ccc32)[C@H](C(C)C)[*:1])c1-c1ccc(Cl)cc1
CCc1nn2c(nnc3c(=O)n([C@H](C(=O)[O-])C(C)C)ccc32)c1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nn2c(nnc3c(=O)n(ccc32)[C@H](C(=O)[O-])C(C)C)c1[*:1]
NC(=O)[C@@H](N[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] NC(=O)[C@@H](N[C@H]1CCN(C1)c1cccc(Cl)c1)[*:1]
NC(=O)[C@@H](N[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(F)cc1 NC(=O)[*:1] Fc1ccc(cc1)[C@H](N[C@H]1CCN(C1)c1cccc(Cl)c1)[*:1]
NC(=O)[C@@H](N[C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(F)cc1 Clc1cccc(c1)[*:1] NC(=O)[C@@H](N[C@H]1CCN(C1)[*:1])c1ccc(F)cc1
CCC(CC)NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(Cl)cc1 CCC(CC)[*:1] C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)N[*:1]
CCC(CC)NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCC(CC)NC(=O)[C@@H](C)Sc1nnnn1[*:1]
CCn1nc(C(C)C)cc1C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CCn1nc(cc1C(=O)Nc1ccc(C)c(c1)[*:1])C(C)C
CCn1nc(C(C)C)cc1C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 CC(C)[*:1] CCn1nc(cc1C(=O)Nc1ccc(C)c(c1)S(C)(=O)=O)[*:1]
Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 Cc1noc(C)c1[*:1] C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)C(=O)OC[*:1]
Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 Cc1noc(C)c1C[*:1] C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)C(=O)O[*:1]
O=C(Cc1csc(-c2cnccn2)n1)OCC#Cc1ccccc1 C(#C[*:1])c1ccccc1 O=C(Cc1csc(n1)-c1cnccn1)OC[*:1]
O=C(Cc1csc(-c2cnccn2)n1)OCC#Cc1ccccc1 c1cnc(cn1)[*:1] O=C(Cc1csc(n1)[*:1])OCC#Cc1ccccc1
O=C(Cc1csc(-c2cnccn2)n1)OCC#Cc1ccccc1 c1ccc(cc1)[*:1] O=C(Cc1csc(n1)-c1cnccn1)OCC#C[*:1]
COc1c(C)cnc(C[C@H](C[NH3+])c2ccc(F)cc2)c1C Fc1ccc(cc1)[*:1] COc1c(C)cnc(C[C@H](C[NH3+])[*:1])c1C
O=C(OCC1CCCCC1)c1cccc(N2CCOC2=O)c1 C1CCC(CC1)[*:1] O=C(OC[*:1])c1cccc(c1)N1CCOC1=O
O=C(OCC1CCCCC1)c1cccc(N2CCOC2=O)c1 C1CCC(CC1)C[*:1] O=C(O[*:1])c1cccc(c1)N1CCOC1=O
O=C(OCC1CCCCC1)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] O=C(OCC1CCCCC1)c1cccc(c1)[*:1]
CCC(C)(C)N(C)C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 CC(=O)N[*:1] CCC(C)(C)N(C)C(=O)C[C@@H](c1ccc(Cl)cc1)[*:1]
CCC(C)(C)N(C)C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCC(C)(C)N(C)C(=O)C[C@@H](NC(C)=O)[*:1]
CCC(C)(C)N(C)C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 CCC(C)(C)[*:1] CC(=O)N[C@H](CC(=O)N(C)[*:1])c1ccc(Cl)cc1
CN1N=C(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)CCC1=O c1ccc(cc1)CC[*:1] CN1N=C(CCC1=O)C(=O)N[C@@H]1CC(=O)N(C1)C[*:1]
CN1N=C(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)CCC1=O c1ccc(cc1)C[*:1] CN1N=C(CCC1=O)C(=O)N[C@@H]1CC(=O)N(CC[*:1])C1
CN1N=C(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)CCC1=O c1ccc(cc1)[*:1] CN1N=C(CCC1=O)C(=O)N[C@@H]1CC(=O)N(CCC[*:1])C1
Nc1nc(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12 Clc1ccc(cc1)[*:1] Nc1nc(CN2CCN(CC2)[*:1])nc2ccccc12
Clc1cccc(CN2CC[C@H](c3nc4ncccc4[nH]3)C2)c1 Clc1cccc(c1)[*:1] c1cnc2nc([nH]c2c1)[C@H]1CCN(C1)C[*:1]
CCOC(=O)C(=O)N(Cc1n[nH]c(=O)[nH]1)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C(=O)N(Cc1n[nH]c(=O)[nH]1)[*:1]
CCOC(=O)C(=O)N(Cc1n[nH]c(=O)[nH]1)c1ccccc1 O=c1[nH]nc(C[*:1])[nH]1 CCOC(=O)C(=O)N(c1ccccc1)[*:1]
CCOC(=O)C(=O)N(Cc1n[nH]c(=O)[nH]1)c1ccccc1 O=c1[nH]nc([nH]1)[*:1] CCOC(=O)C(=O)N(C[*:1])c1ccccc1
C[C@@H](NC(=O)NCCc1ccn(-c2ccccc2)n1)c1ccncc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NCCc1ccn(n1)[*:1])c1ccncc1
C[C@@H](NC(=O)NCCc1ccn(-c2ccccc2)n1)c1ccncc1 C[C@@H](c1ccncc1)[*:1] O=C(NCCc1ccn(n1)-c1ccccc1)N[*:1]
C[C@@H](NC(=O)NCCc1ccn(-c2ccccc2)n1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)NCCc1ccn(n1)-c1ccccc1)[*:1]
C=CCSc1ccccn1 C=CC[*:1] c1ccc(nc1)S[*:1]
CCC1=NN(C(=O)c2ccccc2)[C@](O)(c2ccncc2)C1 c1ccc(cc1)[*:1] CCC1C[C@@](O)(c2ccncc2)N(N=1)C(=O)[*:1]
CCC1=NN(C(=O)c2ccccc2)[C@](O)(c2ccncc2)C1 c1cc(ccn1)[*:1] CCC1C[C@@](O)(N(N=1)C(=O)c1ccccc1)[*:1]
O[C@]1(C(F)(F)F)CCN(CC2(CN3CCOCC3)CCCCC2)C1 C1CN(CCO1)C[*:1] O[C@@]1(CCN(CC2(CCCCC2)[*:1])C1)C(F)(F)F
O[C@]1(C(F)(F)F)CCN(CC2(CN3CCOCC3)CCCCC2)C1 FC(F)(F)[*:1] O[C@@]1(CCN(CC2(CCCCC2)CN2CCOCC2)C1)[*:1]
O[C@]1(C(F)(F)F)CCN(CC2(CN3CCOCC3)CCCCC2)C1 C1CN(CCO1)[*:1] O[C@@]1(CCN(CC2(CCCCC2)C[*:1])C1)C(F)(F)F
CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2csc(C(C)C)n2)cc1 CC(C)c1nc(cs1)[*:1] CCS(=O)(=O)c1ccc(cc1)[C@H](C)N[C@@H](C)[*:1]
CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2csc(C(C)C)n2)cc1 CCS(=O)(=O)[*:1] CC(C)c1nc(cs1)[C@H](C)N[C@@H](C)c1ccc(cc1)[*:1]
CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2csc(C(C)C)n2)cc1 CC(C)[*:1] CCS(=O)(=O)c1ccc(cc1)[C@H](C)N[C@@H](C)c1csc(n1)[*:1]
Cn1cc(CCC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)cn1 FC(F)(F)[*:1] Cn1cc(cn1)CCC(=O)NNC(=O)NCc1cccc(c1)[*:1]
Cn1cc(CCC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)cn1 Cn1cc(cn1)CC[*:1] O=C(NCc1cccc(c1)C(F)(F)F)NNC(=O)[*:1]
Cn1cc(CCC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])NNC(=O)NCc1cccc(c1)C(F)(F)F
Cn1cc(CCC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)cn1 Cn1cc(cn1)C[*:1] O=C(C[*:1])NNC(=O)NCc1cccc(c1)C(F)(F)F
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 Cc1cc(ccc1[*:1])[N+](=O)[O-] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 O=[N+]([O-])[*:1] Cc1cc(ccc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)[*:1]
CCN(CC)C(=O)c1ccc(CNC(=O)c2cnc3ccc(C)cn23)cc1 CCN(CC)C(=O)[*:1] Cc1ccc2ncc(C(=O)NCc3ccc(cc3)[*:1])n2c1
O=C([C@H]1COCCO1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 C1CO[C@H](CO1)[*:1] O=C(N1CC[C@H](C1)Oc1ccc(cn1)C(F)(F)F)[*:1]
O=C([C@H]1COCCO1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 FC(F)(F)[*:1] O=C([C@H]1COCCO1)N1CC[C@H](C1)Oc1ccc(cn1)[*:1]
C[C@H](CNC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)Cn1cccn1 c1cnn(c1)[*:1] C[C@H](CNC(=O)C=C1CN(C1)C(=O)OC(C)(C)C)C[*:1]
C[C@H](CNC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)Cn1cccn1 c1cnn(c1)C[*:1] C[C@H](CNC(=O)C=C1CN(C1)C(=O)OC(C)(C)C)[*:1]
C[C@H](CNC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)Cn1cccn1 CC(C)(C)[*:1] C[C@H](CNC(=O)C=C1CN(C1)C(=O)O[*:1])Cn1cccn1
C[C@H](CNC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)Cn1cccn1 C[C@H](Cn1cccn1)[*:1] CC(C)(C)OC(=O)N1CC(=CC(=O)NC[*:1])C1
C=CCc1ccccc1OCC#CCNS(=O)(=O)c1cccc(Cl)c1 C=CC[*:1] O=S(=O)(NCC#CCOc1ccccc1[*:1])c1cccc(Cl)c1
C=CCc1ccccc1OCC#CCNS(=O)(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C=CCc1ccccc1OCC#CCNS(=O)(=O)[*:1]
COc1ccc(/C=N/n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1 COc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)-c1n[nH]c(=S)n1N=C[*:1]
COc1ccc(/C=N/n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1 CC(C)(C)[*:1] COc1ccc(/C=N/n2c(n[nH]c2=S)-c2ccc(cc2)[*:1])cc1
CCc1nn(C)cc1CNC(=O)CSc1nccn1C(C)(C)C CC(C)(C)[*:1] CCc1nn(C)cc1CNC(=O)CSc1nccn1[*:1]
COc1ccc(OC)c2sc(N(CC[NH+]3CCOCC3)C(=O)c3ccccc3)nc12 c1ccc(cc1)[*:1] COc1ccc(OC)c2sc(nc12)N(CC[NH+]1CCOCC1)C(=O)[*:1]
CC1([NH2+]C[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CCCC1 CC1(CCCC1)[*:1] C1CC[C@@H]2CC[C@@H](C[NH2+][*:1])[NH2+][C@H]2C1
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(cc1)[*:1]
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 Clc1ccccc1[*:1] Cc1onc(c1C(=O)Nc1ccc(cc1)C(=O)NC(C)(C)C)[*:1]
Cc1[nH]c2ccccc2c1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 Clc1cc(Cl)cc(c1)[*:1] Cc1[nH]c2ccccc2c1C(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccn2c(=O)c(C(=O)N3CCOC[C@@H]3C3CC3)cnc2c1 C1CC1[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)N1CCOC[C@H]1[*:1]
CCc1nc(CNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)cs1 CC(C)(C)[*:1] CCc1nc(cs1)CNC(=O)CC1CN(C1)C(=O)O[*:1]
CCc1nc(CNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)cs1 CCc1nc(cs1)[*:1] CC(C)(C)OC(=O)N1CC(CC(=O)NC[*:1])C1
COCc1cc(CNC(=O)CCc2cc(Cl)cs2)ccc1F Clc1csc(c1)C[*:1] COCc1cc(ccc1F)CNC(=O)C[*:1]
COCc1cc(CNC(=O)CCc2cc(Cl)cs2)ccc1F Clc1csc(c1)[*:1] COCc1cc(ccc1F)CNC(=O)CC[*:1]
COCc1cc(CNC(=O)CCc2cc(Cl)cs2)ccc1F COC[*:1] O=C(CCc1cc(Cl)cs1)NCc1ccc(F)c(c1)[*:1]
C[C@@H]1C[C@H]1NC(=O)c1occc1Br C[C@@H]1C[C@@H]1[*:1] O=C(N[*:1])c1occc1Br
O=C(CCS(=O)(=O)c1cccc2nonc12)Nc1nccs1 c1csc(n1)[*:1] O=C(CCS(=O)(=O)c1cccc2nonc12)N[*:1]
C/C=C/CC[NH2+][C@H](C)c1c(C)nn(C(C)C)c1C C/C=C/C[*:1] Cc1nn(c(C)c1[C@@H](C)[NH2+]C[*:1])C(C)C
C/C=C/CC[NH2+][C@H](C)c1c(C)nn(C(C)C)c1C CC=C[*:1] Cc1nn(c(C)c1[C@@H](C)[NH2+]CC[*:1])C(C)C
C/C=C/CC[NH2+][C@H](C)c1c(C)nn(C(C)C)c1C C/C=C/CC[*:1] Cc1nn(c(C)c1[C@@H](C)[NH2+][*:1])C(C)C
C/C=C/CC[NH2+][C@H](C)c1c(C)nn(C(C)C)c1C CC(C)[*:1] C/C=C/CC[NH2+][C@H](C)c1c(C)nn(c1C)[*:1]
Cc1csc([C@H](NC(=O)NC[C@H](O)CC(C)C)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@H](NC(=O)NC[C@H](O)CC(C)C)[*:1]
Cc1csc([C@H](NC(=O)NC[C@H](O)CC(C)C)C2CC2)n1 CC(C)C[C@@H](O)C[*:1] Cc1csc(n1)[C@H](NC(=O)N[*:1])C1CC1
Cc1csc([C@H](NC(=O)NC[C@H](O)CC(C)C)C2CC2)n1 CC(C)C[*:1] Cc1csc(n1)[C@H](NC(=O)NC[C@H](O)[*:1])C1CC1
Cc1csc([C@H](NC(=O)NC[C@H](O)CC(C)C)C2CC2)n1 CC(C)[*:1] Cc1csc(n1)[C@H](NC(=O)NC[C@H](O)C[*:1])C1CC1
Cc1csc([C@H](NC(=O)NC[C@H](O)CC(C)C)C2CC2)n1 Cc1csc(n1)[*:1] CC(C)C[C@@H](O)CNC(=O)N[C@H](C1CC1)[*:1]
Cc1csc([C@H](NC(=O)NC[C@H](O)CC(C)C)C2CC2)n1 CC(C)C[C@@H](O)[*:1] Cc1csc(n1)[C@H](NC(=O)NC[*:1])C1CC1
CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@H](Oc3ccccc3)C2)C1 c1ccc(cc1)O[*:1] CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@H](C2)[*:1])C1
CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@H](Oc3ccccc3)C2)C1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@@H](C2)O[*:1])C1
CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@H](Oc3ccccc3)C2)C1 CC(C)(C)[*:1] O=C(CC1CN(C1)C(=O)O[*:1])N1CC[C@@H](C1)Oc1ccccc1
CN(C)C(=O)Cn1cc(NC(=O)N2CCSCC2)cn1 CN(C)C(=O)C[*:1] O=C(Nc1cnn(c1)[*:1])N1CCSCC1
CN(C)C(=O)Cn1cc(NC(=O)N2CCSCC2)cn1 CN(C)C(=O)[*:1] O=C(Nc1cnn(c1)C[*:1])N1CCSCC1
COC[C@H](O)CC[NH2+][C@H]1CCSc2ccc(Br)cc21 COC[*:1] O[C@H](CC[NH2+][C@H]1CCSc2ccc(Br)cc21)[*:1]
COC[C@H](O)CC[NH2+][C@H]1CCSc2ccc(Br)cc21 COC[C@H](O)[*:1] Brc1ccc2SCC[C@H]([NH2+]CC[*:1])c2c1
COC[C@H](O)CC[NH2+][C@H]1CCSc2ccc(Br)cc21 COC[C@H](O)C[*:1] Brc1ccc2SCC[C@H]([NH2+]C[*:1])c2c1
CCCNc1ncnc(Nc2ccc(C(C)=O)cc2)c1[N+](=O)[O-] CCC[*:1] CC(=O)c1ccc(cc1)Nc1ncnc(N[*:1])c1[N+](=O)[O-]
CCCNc1ncnc(Nc2ccc(C(C)=O)cc2)c1[N+](=O)[O-] CCCN[*:1] CC(=O)c1ccc(cc1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
CCCNc1ncnc(Nc2ccc(C(C)=O)cc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCNc1ncnc(Nc2ccc(cc2)C(C)=O)c1[*:1]
CCCNc1ncnc(Nc2ccc(C(C)=O)cc2)c1[N+](=O)[O-] CC(=O)[*:1] CCCNc1ncnc(Nc2ccc(cc2)[*:1])c1[N+](=O)[O-]
CCc1nn(C)cc1NC(=O)Nc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCc1nn(C)cc1NC(=O)Nc1cccc(c1)[*:1]
C=CCOC(=O)Cc1csc(NC(=O)c2ccccc2)n1 C=CCOC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])c1ccccc1
C=CCOC(=O)Cc1csc(NC(=O)c2ccccc2)n1 C=CCOC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])c1ccccc1
C=CCOC(=O)Cc1csc(NC(=O)c2ccccc2)n1 c1ccc(cc1)[*:1] C=CCOC(=O)Cc1csc(n1)NC(=O)[*:1]
C=CCOC(=O)Cc1csc(NC(=O)c2ccccc2)n1 C=CC[*:1] O=C(Cc1csc(n1)NC(=O)c1ccccc1)O[*:1]
Cc1nc2n(n1)CCC[C@H]2N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C FC(F)(F)[*:1] Cc1nc2[C@@H](CCCn2n1)N[C@@H](c1cccc(c1)[*:1])C(C)C
Cc1nc2n(n1)CCC[C@H]2N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C CC(C)[*:1] Cc1nc2[C@@H](CCCn2n1)N[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
COCCNC(=O)CCSc1ccccn1 COC[*:1] O=C(CCSc1ccccn1)NC[*:1]
COCCNC(=O)CCSc1ccccn1 COCC[*:1] O=C(CCSc1ccccn1)N[*:1]
Cc1nonc1C[NH+](C)Cc1cccc(-c2ccc(F)cc2)c1 Cc1nonc1[*:1] C[NH+](Cc1cccc(c1)-c1ccc(F)cc1)C[*:1]
Cc1nonc1C[NH+](C)Cc1cccc(-c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1nonc1C[NH+](C)Cc1cccc(c1)[*:1]
Cc1ccc(N2C(=O)N(CCS(C)(=O)=O)C(=O)[C@H]2C)cc1 CS(=O)(=O)C[*:1] Cc1ccc(cc1)N1C(=O)N(C[*:1])C(=O)[C@H]1C
Cc1ccc(N2C(=O)N(CCS(C)(=O)=O)C(=O)[C@H]2C)cc1 CS(=O)(=O)CC[*:1] Cc1ccc(cc1)N1C(=O)N(C(=O)[C@H]1C)[*:1]
Cc1ccc(N2C(=O)N(CCS(C)(=O)=O)C(=O)[C@H]2C)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)N1C(=O)N(CC[*:1])C(=O)[C@H]1C
Cc1ccc(N2C(=O)N(CCS(C)(=O)=O)C(=O)[C@H]2C)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1C(=O)N(CCS(C)(=O)=O)C(=O)N1[*:1]
CCS[C@H]1CC[C@H](Nc2nccnc2C#N)C1 CCS[*:1] N#Cc1nccnc1N[C@H]1CC[C@@H](C1)[*:1]
C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(c2ncccc2F)CC1 NC(=O)[*:1] C[C@@H](C(=O)N1CCC[C@H](C1)[*:1])N1CCN(CC1)c1ncccc1F
C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] C[C@@H](C(=O)N1CCC[C@@H](C1)C(N)=O)N1CCN(CC1)[*:1]
COc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cn2cncn2)c(F)c1 COc1ccc(c(F)c1)[*:1] O=C(Cn1cncn1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
COc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cn2cncn2)c(F)c1 c1ncn(C[*:1])n1 COc1ccc(c(F)c1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
COc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Cn2cncn2)c(F)c1 c1ncn(n1)[*:1] COc1ccc(c(F)c1)[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)C[*:1]
CC(C)c1ccc2cc(C(=O)N(C)Cc3ccc(Br)o3)[nH]c2c1 CC(C)[*:1] CN(Cc1ccc(Br)o1)C(=O)c1cc2ccc(cc2[nH]1)[*:1]
CC(C)c1ccc2cc(C(=O)N(C)Cc3ccc(Br)o3)[nH]c2c1 Brc1ccc(o1)[*:1] CC(C)c1ccc2cc([nH]c2c1)C(=O)N(C)C[*:1]
CC(C)c1ccc2cc(C(=O)N(C)Cc3ccc(Br)o3)[nH]c2c1 Brc1ccc(C[*:1])o1 CC(C)c1ccc2cc([nH]c2c1)C(=O)N(C)[*:1]
CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@H]1c1ccccc1[N+](=O)[O-] Clc1ccc(c(Cl)c1)[*:1] CC(=O)N1N=C(CO[*:1])O[C@H]1c1ccccc1[N+](=O)[O-]
CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@H]1c1ccccc1[N+](=O)[O-] Clc1ccc(O[*:1])c(Cl)c1 CC(=O)N1N=C(C[*:1])O[C@H]1c1ccccc1[N+](=O)[O-]
CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@H]1c1ccccc1[*:1]
CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@H]1c1ccccc1[N+](=O)[O-] O=[N+]([O-])c1ccccc1[*:1] CC(=O)N1N=C(COc2ccc(Cl)cc2Cl)O[C@@H]1[*:1]
C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2c(F)cccc2F)C3)C[C@@H](C)O1 Fc1cccc(F)c1[*:1] C[C@H]1CN(C[C@@H](C)O1)c1nc2CN(CCc2c(=O)[nH]1)C[*:1]
C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2c(F)cccc2F)C3)C[C@@H](C)O1 Fc1cccc(F)c1C[*:1] C[C@H]1CN(C[C@@H](C)O1)c1nc2CN(CCc2c(=O)[nH]1)[*:1]
CCCCSc1nccc(=O)[nH]1 CCCC[*:1] O=c1ccnc([nH]1)S[*:1]
CCCCSc1nccc(=O)[nH]1 CCC[*:1] O=c1ccnc([nH]1)SC[*:1]
CC(C)[C@@H]1C(=O)NCCN1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 CC(C)[*:1] O=C1NCCN(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)[C@@H]1[*:1]
CCn1nccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 CCn1nccc1[*:1] Cc1c(cnn1C)S(=O)(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CCn1nccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 Cc1c(cnn1C)[*:1] CCn1nccc1CNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCn1nccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 CCn1nccc1C[*:1] Cc1c(cnn1C)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
O=c1ccn(-c2ccc(-c3ccn[nH]3)cc2)cc1 c1cc([nH]n1)[*:1] O=c1ccn(cc1)-c1ccc(cc1)[*:1]
COCCCNC(=O)c1cccc2cccnc12 COC[*:1] O=C(NCC[*:1])c1cccc2cccnc12
COCCCNC(=O)c1cccc2cccnc12 COCC[*:1] O=C(NC[*:1])c1cccc2cccnc12
COCCCNC(=O)c1cccc2cccnc12 COCCC[*:1] O=C(N[*:1])c1cccc2cccnc12
N#CCCCCS(=O)(=O)c1ncc[nH]1 N#CCC[*:1] O=S(=O)(CC[*:1])c1ncc[nH]1
N#CCCCCS(=O)(=O)c1ncc[nH]1 N#CC[*:1] O=S(=O)(CCC[*:1])c1ncc[nH]1
COC(=O)C[C@H]1CCCCN1C(=O)c1nc(-c2ccco2)sc1C COC(=O)[*:1] Cc1sc(nc1C(=O)N1CCCC[C@@H]1C[*:1])-c1ccco1
COC(=O)C[C@H]1CCCCN1C(=O)c1nc(-c2ccco2)sc1C COC(=O)C[*:1] Cc1sc(nc1C(=O)N1CCCC[C@@H]1[*:1])-c1ccco1
COC(=O)C[C@H]1CCCCN1C(=O)c1nc(-c2ccco2)sc1C c1coc(c1)[*:1] COC(=O)C[C@H]1CCCCN1C(=O)c1nc(sc1C)[*:1]
CC(=O)NC1CCN(c2ncc(S(C)(=O)=O)c([C@@H]3CCC[NH2+]C3)n2)CC1 CC(=O)N[*:1] CS(=O)(=O)c1cnc(nc1[C@@H]1CCC[NH2+]C1)N1CCC(CC1)[*:1]
CC(=O)NC1CCN(c2ncc(S(C)(=O)=O)c([C@@H]3CCC[NH2+]C3)n2)CC1 CS(=O)(=O)[*:1] CC(=O)NC1CCN(CC1)c1ncc(c(n1)[C@@H]1CCC[NH2+]C1)[*:1]
COc1cc(C[NH2+]CC(C)C)c(SC)cc1OC CC(C)C[*:1] COc1cc(C[NH2+][*:1])c(cc1OC)SC
COc1cc(C[NH2+]CC(C)C)c(SC)cc1OC CC(C)[*:1] COc1cc(C[NH2+]C[*:1])c(cc1OC)SC
CCc1ccc(C[C@H]([NH2+]C)C2(N(C)C)CCCC2)s1 CN(C)[*:1] CCc1ccc(C[C@H]([NH2+]C)C2(CCCC2)[*:1])s1
O=C1C[C@@H](c2ccc(Cl)cc2)Cc2c1cnc1c2c(=O)[nH]c(=O)n1Cc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C1C[C@H](Cc2c1cnc1c2c(=O)[nH]c(=O)n1C[*:1])c1ccc(Cl)cc1
O=C1C[C@@H](c2ccc(Cl)cc2)Cc2c1cnc1c2c(=O)[nH]c(=O)n1Cc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1C[*:1] O=C1C[C@H](Cc2c1cnc1c2c(=O)[nH]c(=O)n1[*:1])c1ccc(Cl)cc1
O=C1C[C@@H](c2ccc(Cl)cc2)Cc2c1cnc1c2c(=O)[nH]c(=O)n1Cc1ccc2c(c1)OCCO2 Clc1ccc(cc1)[*:1] O=C1C[C@@H](Cc2c1cnc1c2c(=O)[nH]c(=O)n1Cc1ccc2OCCOc2c1)[*:1]
N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 Fc1ccc(cc1)O[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1cccc(c1)[N+](=O)[O-])OC(=O)C[*:1]
N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 Fc1ccc(cc1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1cccc(c1)[N+](=O)[O-])OC(=O)CO[*:1]
N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 Fc1ccc(cc1)OC[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1cccc(c1)[N+](=O)[O-])OC(=O)[*:1]
N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#CC1=C(N)Oc2cc(ccc2[C@@H]1c1cccc(c1)[*:1])OC(=O)COc1ccc(F)cc1
N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1[*:1])OC(=O)COc1ccc(F)cc1
CN1C(=O)C[C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1C(=O)C[C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@@H]1[*:1]
Cc1cccc(OCc2nn3c(C(C)C)nnc3s2)c1 CC(C)[*:1] Cc1cccc(c1)OCc1nn2c(nnc2s1)[*:1]
CCc1ccc(CNC(=O)c2cc(-c3ccncc3)cn2C)cc1 c1cc(ccn1)[*:1] CCc1ccc(cc1)CNC(=O)c1cc(cn1C)[*:1]
CCc1ccc(CNC(=O)c2cc(-c3ccncc3)cn2C)cc1 CCc1ccc(cc1)[*:1] Cn1cc(cc1C(=O)NC[*:1])-c1ccncc1
C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccsc1 c1cc(cs1)[*:1] C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2c(=O)[nH]1)[*:1]
CCC[C@@H]1CN(C(=O)c2ccc(Cl)c([N-]S(C)(=O)=O)c2)CCO1 CCC[*:1] CS(=O)(=O)[N-]c1cc(ccc1Cl)C(=O)N1CCO[C@@H](C1)[*:1]
Cc1ccccc1CCNC(=O)C[S@](=O)Cc1nc(C)c(C)s1 Cc1ccccc1[*:1] Cc1nc(C[S@@](=O)CC(=O)NCC[*:1])sc1C
Cc1ccccc1CCNC(=O)C[S@](=O)Cc1nc(C)c(C)s1 Cc1nc(sc1C)[*:1] Cc1ccccc1CCNC(=O)C[S@](=O)C[*:1]
Cc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2C)c1 Cc1cccc(c1)[*:1] Cn1c(nnc1[*:1])SCc1nc2ccccc2[nH]1
CN1C(=O)COc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)cc21 FC(F)(F)[*:1] CN1C(=O)COc2ccc(cc21)NC(=O)[C@@H]1CCCC[C@@H]1[*:1]
CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(Br)c1 CC[C@H](C)[*:1] C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)[*:1]
Cc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1NC(=O)c1ccncc1 O=C(N[*:1])c1ccncc1 Cc1ccc(cc1[*:1])NC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2
Cc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1NC(=O)c1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)[*:1])NC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2
O=C(C1=CCCC1)N1CCSC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(C1=CCCC1)N1CCSC[C@@H]1[*:1]
c1ccc(-c2n[nH]c(-c3cccnc3)c2-c2ncc[nH]2)cc1 c1ccc(cc1)[*:1] c1cncc(c1)-c1[nH]nc(c1-c1ncc[nH]1)[*:1]
c1ccc(-c2n[nH]c(-c3cccnc3)c2-c2ncc[nH]2)cc1 c1c[nH]c(n1)[*:1] c1ccc(cc1)-c1n[nH]c(-c2cccnc2)c1[*:1]
c1ccc(-c2n[nH]c(-c3cccnc3)c2-c2ncc[nH]2)cc1 c1cncc(c1)[*:1] c1ccc(cc1)-c1n[nH]c(c1-c1ncc[nH]1)[*:1]
Cc1ccccc1-n1nc(C)c2c1N=C(O)C[C@H]2c1ccc(C(=O)[O-])cc1 Cc1ccccc1[*:1] Cc1nn(c2N=C(O)C[C@@H](c3ccc(cc3)C(=O)[O-])c12)[*:1]
Cc1ccccc1-n1nc(C)c2c1N=C(O)C[C@H]2c1ccc(C(=O)[O-])cc1 O=C([O-])c1ccc(cc1)[*:1] Cc1ccccc1-n1nc(C)c2c1N=C(O)C[C@@H]2[*:1]
Cc1ccccc1-n1nc(C)c2c1N=C(O)C[C@H]2c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccccc1-n1nc(C)c2c1N=C(O)C[C@H]2c1ccc(cc1)[*:1]
O=C(NCCCC(=O)N1CCC[C@H]1c1ccc[nH]1)c1ccc(Cl)cc1 c1c[nH]c(c1)[*:1] O=C(NCCCC(=O)N1CCC[C@@H]1[*:1])c1ccc(Cl)cc1
O=C(NCCCC(=O)N1CCC[C@H]1c1ccc[nH]1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCCNC(=O)[*:1])N1CCC[C@H]1c1ccc[nH]1
CC(=O)Nc1nc2c(s1)C[NH+](Cc1ccc(F)cc1)CC2 CC(=O)N[*:1] Fc1ccc(cc1)C[NH+]1CCc2nc(sc2C1)[*:1]
CC(=O)Nc1nc2c(s1)C[NH+](Cc1ccc(F)cc1)CC2 Fc1ccc(cc1)[*:1] CC(=O)Nc1nc2CC[NH+](Cc2s1)C[*:1]
C[C@H]1CCCN(C(=O)NCCOCC(F)(F)F)CC1 FC(F)(F)[*:1] C[C@H]1CCCN(CC1)C(=O)NCCOC[*:1]
C[C@H]1CCCN(C(=O)NCCOCC(F)(F)F)CC1 FC(F)(F)CO[*:1] C[C@H]1CCCN(CC1)C(=O)NCC[*:1]
C[C@H]1CCCN(C(=O)NCCOCC(F)(F)F)CC1 FC(F)(F)C[*:1] C[C@H]1CCCN(CC1)C(=O)NCCO[*:1]
CC(=O)Nc1cccc(-n2cnnc2SCC2CCOCC2)c1 CC(=O)N[*:1] c1cc(cc(c1)[*:1])-n1cnnc1SCC1CCOCC1
CC(=O)Nc1cccc(-n2cnnc2SCC2CCOCC2)c1 C1CC(CCO1)[*:1] CC(=O)Nc1cccc(c1)-n1cnnc1SC[*:1]
CC(=O)Nc1cccc(-n2cnnc2SCC2CCOCC2)c1 C1CC(CCO1)C[*:1] CC(=O)Nc1cccc(c1)-n1cnnc1S[*:1]
COc1ccccc1N1CC[NH+](CCNC(=O)/C=C/c2ccco2)CC1 C(=C[*:1])c1ccco1 COc1ccccc1N1CC[NH+](CCNC(=O)[*:1])CC1
COc1ccccc1N1CC[NH+](CCNC(=O)/C=C/c2ccco2)CC1 c1coc(c1)[*:1] COc1ccccc1N1CC[NH+](CCNC(=O)C=C[*:1])CC1
COc1ccccc1N1CC[NH+](CCNC(=O)/C=C/c2ccco2)CC1 COc1ccccc1[*:1] O=C(/C=C/c1ccco1)NCC[NH+]1CCN(CC1)[*:1]
c1ccc(-c2n[nH]c([C@@H]3CCCN3c3nc(-c4ccccn4)nc4c3CCC4)n2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)-c1n[nH]c(n1)[C@@H]1CCCN1c1nc(nc2CCCc21)[*:1]
c1ccc(-c2n[nH]c([C@@H]3CCCN3c3nc(-c4ccccn4)nc4c3CCC4)n2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)-c1nc2CCCc2c(n1)N1CCC[C@H]1c1nc(n[nH]1)[*:1]
CCn1c(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)nc2ccccc21 CC(C)[*:1] CCn1c(nc2ccccc21)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCc1ccc(C[C@H](CCC(C)C)[NH2+]C)nc1 CC(C)CC[*:1] CCc1ccc(C[C@H]([NH2+]C)[*:1])nc1
CCc1ccc(C[C@H](CCC(C)C)[NH2+]C)nc1 CC(C)[*:1] CCc1ccc(C[C@H](CC[*:1])[NH2+]C)nc1
CCc1ccc(C[C@H](CCC(C)C)[NH2+]C)nc1 CC(C)C[*:1] CCc1ccc(C[C@H](C[*:1])[NH2+]C)nc1
Cc1ccc(C)c(N2CCN(c3nccnc3SCC(=O)Nc3cc(F)ccc3F)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nccnc1N1CCN(CC1)[*:1])Nc1cc(F)ccc1F
Cc1ccc(C)c(N2CCN(c3nccnc3SCC(=O)Nc3cc(F)ccc3F)CC2)c1 Fc1ccc(F)c(c1)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)c1nccnc1SCC(=O)N[*:1]
Cc1ccc(C)c(N2CCN(c3nccnc3SCC(=O)Nc3cc(F)ccc3F)CC2)c1 O=C(Nc1cc(F)ccc1F)[*:1] Cc1ccc(C)c(c1)N1CCN(CC1)c1nccnc1SC[*:1]
C[C@H]1CCCN(c2nc(-c3ccc(NC(N)=O)cc3)cs2)C1 NC(=O)N[*:1] C[C@H]1CCCN(C1)c1nc(cs1)-c1ccc(cc1)[*:1]
C[C@H]1CCCN(c2nc(-c3ccc(NC(N)=O)cc3)cs2)C1 C[C@H]1CCCN(C1)[*:1] NC(=O)Nc1ccc(cc1)-c1csc(n1)[*:1]
CCOc1ccccc1NC(=O)N[C@@](C)(CC)C(=O)[O-] CCO[*:1] CC[C@](C)(NC(=O)Nc1ccccc1[*:1])C(=O)[O-]
CCOc1ccccc1NC(=O)N[C@@](C)(CC)C(=O)[O-] O=C([O-])[*:1] CCOc1ccccc1NC(=O)N[C@@](C)(CC)[*:1]
O=C(CSc1ncnc2sc3c(c12)CCCC3)N/N=C/c1cccs1 c1csc(c1)[*:1] O=C(CSc1ncnc2sc3CCCCc3c12)NN=C[*:1]
CCC1(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCC1(CC1)CNC(=O)N1CCC[C@@H]1[C@H](C#N)[*:1]
CCC1(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 CCC1(CC1)[*:1] N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[*:1]
CCC1(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 CCC1(CC1)C[*:1] N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[*:1]
CCCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C)cc2)c1 Cc1ccc(cc1)C[*:1] CCCNC(=O)c1cccc(c1)NC(=O)C(=O)N[*:1]
CCCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CCCNC(=O)c1cccc(c1)NC(=O)C(=O)NC[*:1]
CCCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C)cc2)c1 CCCNC(=O)[*:1] Cc1ccc(cc1)CNC(=O)C(=O)Nc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C)cc2)c1 CCC[*:1] Cc1ccc(cc1)CNC(=O)C(=O)Nc1cccc(c1)C(=O)N[*:1]
O=C(CCOc1ccc(Cl)cc1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 C1CC1[*:1] O=C(CCOc1ccc(Cl)cc1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
O=C(CCOc1ccc(Cl)cc1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] O=C(CCO[*:1])N(C1CC1)[C@@H]1CCS(=O)(=O)C1
Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccco3)cc2)[nH+]1 O=C(N[*:1])c1ccco1 Cc1nc(cc(Nc2ccc(cc2)[*:1])[nH+]1)N1CCCCC1
Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccco3)cc2)[nH+]1 C1CCN(CC1)[*:1] Cc1nc(cc(Nc2ccc(cc2)NC(=O)c2ccco2)[nH+]1)[*:1]
Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccco3)cc2)[nH+]1 c1coc(c1)[*:1] Cc1nc(cc(Nc2ccc(cc2)NC(=O)[*:1])[nH+]1)N1CCCCC1
C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 O=[N+]([O-])[*:1] C[C@H]([NH2+]CCn1cc(cn1)[*:1])C1CCCCC1
C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H]([NH2+]CCn1cc(cn1)[N+](=O)[O-])[*:1]
N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1coc(-c2cccs2)n1 c1csc(c1)[*:1] N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1coc(n1)[*:1]
N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1coc(-c2cccs2)n1 c1ccc(cc1)[*:1] N#C[C@H]([C@H]1CCCN1Cc1coc(n1)-c1cccs1)[*:1]
CC(=O)Nc1ccc(F)c(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1 Fc1cccc(c1)C[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)N(CC[NH+](C)C)[*:1]
CC(=O)Nc1ccc(F)c(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)N(CC[NH+](C)C)C[*:1]
CC(=O)Nc1ccc(F)c(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1 CC(=O)N[*:1] C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc(ccc1F)[*:1]
COc1ccccc1C[NH+](CC(=O)Nc1c(C)cccc1C)C1CC1 COc1ccccc1[*:1] Cc1cccc(C)c1NC(=O)C[NH+](C[*:1])C1CC1
COc1ccccc1C[NH+](CC(=O)Nc1c(C)cccc1C)C1CC1 Cc1cccc(C)c1[*:1] COc1ccccc1C[NH+](CC(=O)N[*:1])C1CC1
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(Cl)c2)c1 Fc1ccc(cc1Cl)[*:1] CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(c1)C(=O)N[*:1]
CON(C)C(=O)[C@H](C[NH3+])CC(C)C CC(C)C[*:1] CON(C)C(=O)[C@H](C[NH3+])[*:1]
CON(C)C(=O)[C@H](C[NH3+])CC(C)C CC(C)[*:1] CON(C)C(=O)[C@H](C[NH3+])C[*:1]
CC1(C)CN(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 Clc1ccc(cc1)C[*:1] CC1(C)CN(CCO1)CC(=O)NC1CC[NH+](CC1)[*:1]
CC1(C)CN(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 CC1(C)CN(CCO1)[*:1] O=C(C[*:1])NC1CC[NH+](CC1)Cc1ccc(Cl)cc1
CC1(C)CN(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 Clc1ccc(cc1)[*:1] CC1(C)CN(CCO1)CC(=O)NC1CC[NH+](CC1)C[*:1]
C=CCN(CC=C)C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] C=CCN(CC=C)C(=O)c1cccc(c1)[*:1]
C=CCN(CC=C)C(=O)c1cccc([N+](=O)[O-])c1 C=CC[*:1] C=CCN(C(=O)c1cccc(c1)[N+](=O)[O-])[*:1]
CCOc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1Cc2ccccc2O1 CCO[*:1] N#Cc1cc(Cl)c(OC(=O)[C@@H]2Cc3ccccc3O2)c(c1)[*:1]
CCCc1cc(NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)n(C)n1 CCC[*:1] Cn1cc(cn1)N1CC[C@@H](NC(=O)Nc2cc(nn2C)[*:1])C1=O
CCCc1cc(NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)n(C)n1 Cn1cc(cn1)[*:1] CCCc1cc(NC(=O)N[C@@H]2CCN(C2=O)[*:1])n(C)n1
O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)c1csnn1)c1cccc(F)c1 c1coc(c1)[*:1] O=C(NC1CCCCC1)[C@H](N(C(=O)c1csnn1)c1cccc(F)c1)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)c1csnn1)c1cccc(F)c1 c1snnc1[*:1] O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)[*:1])c1cccc(F)c1
O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)c1csnn1)c1cccc(F)c1 O=C(NC1CCCCC1)[*:1] O=C(c1csnn1)N(c1cccc(F)c1)[C@@H](c1ccco1)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)c1csnn1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)c1csnn1)[*:1]
O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)c1csnn1)c1cccc(F)c1 C1CCC(CC1)[*:1] O=C(N[*:1])[C@H](c1ccco1)N(C(=O)c1csnn1)c1cccc(F)c1
CC(=O)c1ccn(Cc2cccc(F)c2F)c1 CC(=O)[*:1] Fc1cccc(Cn2ccc(c2)[*:1])c1F
CCOCCN(C)c1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] CCOCCN(C)c1nnnn1[*:1]
CCOCCN(C)c1nnnn1-c1ccccc1 CCOCC[*:1] CN(c1nnnn1-c1ccccc1)[*:1]
CCOCCN(C)c1nnnn1-c1ccccc1 CCO[*:1] CN(CC[*:1])c1nnnn1-c1ccccc1
CCOCCN(C)c1nnnn1-c1ccccc1 CCOC[*:1] CN(C[*:1])c1nnnn1-c1ccccc1
CC(=O)Nc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 CC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])Nc1ccc(Cl)c(Cl)c1
C#CCN1CCC(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] C#CCN1CCC(CC1)C(=O)N[C@H]1C[C@H](C)N(C1)[*:1]
C#CCN1CCC(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)CC1 C#CC[*:1] C[C@H]1C[C@@H](CN1c1ccccc1)NC(=O)C1CCN(CC1)[*:1]
N#Cc1ccc(-c2csc(NC(=O)c3cccc(Br)c3)n2)cc1 Brc1cccc(c1)[*:1] N#Cc1ccc(cc1)-c1csc(n1)NC(=O)[*:1]
CC(C)NC(=O)[C@H](C)N1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 CC(C)[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)[C@H](C)c1ccccc1[N+](=O)[O-]
CC(C)NC(=O)[C@H](C)N1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 CC(C)NC(=O)[*:1] C[C@H](N1CCN(CC1)[C@H](C)c1ccccc1[N+](=O)[O-])[*:1]
CC(C)NC(=O)[C@H](C)N1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CC(C)NC(=O)[C@H](C)N1CCN(CC1)[C@H](C)c1ccccc1[*:1]
CC(C)NC(=O)[C@H](C)N1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 CC(C)NC(=O)[C@H](C)[*:1] C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CC1)[*:1]
Cn1cc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)N2CCC[C@@H](C2)c2nncn2C2CC2)c(n1)[*:1]
Cn1cc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c(C(C)(C)C)n1 C1CC1[*:1] Cn1cc(C(=O)N2CCC[C@@H](C2)c2nncn2[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c(C(C)(C)C)n1 c1nnc(n1C1CC1)[*:1] Cn1cc(C(=O)N2CCC[C@H](C2)[*:1])c(n1)C(C)(C)C
CCSC(=S)N1[C@@H](C(=O)[O-])CS[C@@H]1c1ccc(C)cc1 O=C([O-])[*:1] CCSC(=S)N1[C@@H](CS[C@@H]1c1ccc(C)cc1)[*:1]
O=C(CSCc1ccc(F)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 Fc1ccc(cc1)C[*:1] O=C(CS[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
O=C(CSCc1ccc(F)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 Fc1ccc(cc1)CS[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
O=C(CSCc1ccc(F)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CSCc1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)C[*:1]
O=C(CSCc1ccc(F)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 Fc1ccc(cc1)[*:1] O=C(CSC[*:1])N1CCN(CC1)S(=O)(=O)Cc1ccccc1
O=C(CSCc1ccc(F)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CSCc1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1cccc(c1)[*:1]
O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1cccc(c1)O[*:1]
O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1cccc(OC(F)(F)F)c1 FC(F)O[*:1] O=S(=O)([N-]c1ccc(c(Cl)c1)[*:1])c1cccc(c1)OC(F)(F)F
O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1cccc(OC(F)(F)F)c1 FC(F)[*:1] O=S(=O)([N-]c1ccc(O[*:1])c(Cl)c1)c1cccc(c1)OC(F)(F)F
O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccncc1 c1cc(ccn1)[*:1] O=C(CCc1nnc(o1)-c1ccccc1)N[*:1]
O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccncc1 c1ccc(cc1)[*:1] O=C(CCc1nnc(o1)[*:1])Nc1ccncc1
COC(=O)COc1cccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn23)c1 COC(=O)C[*:1] O=S(=O)([N-]c1cccc(c1)O[*:1])c1c(Cl)nc2ccccn12
COC(=O)COc1cccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn23)c1 COC(=O)CO[*:1] O=S(=O)([N-]c1cccc(c1)[*:1])c1c(Cl)nc2ccccn12
COC(=O)COc1cccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn23)c1 COC(=O)[*:1] O=S(=O)([N-]c1cccc(c1)OC[*:1])c1c(Cl)nc2ccccn12
COc1ccccc1NC(=O)[C@H](C)SCc1nc(C2CC2)no1 C1CC1[*:1] COc1ccccc1NC(=O)[C@H](C)SCc1nc(no1)[*:1]
CCc1ncc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)s1 CCc1ncc(s1)[*:1] O=C(N1CCC(CC1)[C@H](O)c1ccccc1)[*:1]
CCc1ncc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)s1 c1ccc(cc1)[*:1] CCc1ncc(s1)C(=O)N1CCC(CC1)[C@H](O)[*:1]
CSc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CSc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
CSc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 CSc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 CCC[*:1] C[C@H](NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1)[*:1]
CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 CCC[C@H](C)NC(=O)[*:1] O=S(=O)(c1cc(ccc1Cl)[*:1])N1CCOCC1
CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 CCC[C@H](C)[*:1] O=C(N[*:1])c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1C[C@@H]1c1ccc(C)s1 Cc1ccc(s1)[*:1] CCc1nc2[C@H](CCCn2n1)NC(=O)[C@H]1C[C@H]1[*:1]
Cc1nc(N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)sc1C Cc1nc(sc1C)[*:1] O=C(NCCCn1cc[nH+]c1)N1CCN(CC1)[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(F)cc2)c1C1CC1 C1CC1[*:1] CC[C@@H](C)n1ncc(C(=O)Nc2ccc(F)cc2)c1[*:1]
CC[C@@H](C)n1ncc(C(=O)Nc2ccc(F)cc2)c1C1CC1 Fc1ccc(cc1)[*:1] CC[C@@H](C)n1ncc(C(=O)N[*:1])c1C1CC1
CSc1ccc(C)c(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c1 O=[N+]([O-])[*:1] CSc1ccc(C)c(c1)C(=O)Nc1n[nH]c2ccc(cc12)[*:1]
Cn1cc(C(=O)Nc2nc(-c3cccs3)cs2)c(C(C)(C)C)n1 c1csc(c1)[*:1] Cn1cc(C(=O)Nc2nc(cs2)[*:1])c(n1)C(C)(C)C
Cn1cc(C(=O)Nc2nc(-c3cccs3)cs2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C(=O)Nc2nc(cs2)-c2cccs2)c(n1)[*:1]
O=C(NCCC[NH+]1CCCCC1)NCc1cc[nH+]c(N2CCCCC2)c1 C1CCN(CC1)[*:1] O=C(NCCC[NH+]1CCCCC1)NCc1cc[nH+]c(c1)[*:1]
COc1ccc(Cc2cccc(C3CCN(C(=O)Cc4cccnc4)CC3)n2)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)Cc1cccc(n1)C1CCN(CC1)C(=O)[*:1]
COc1ccc(Cc2cccc(C3CCN(C(=O)Cc4cccnc4)CC3)n2)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)Cc1cccc(n1)C1CCN(CC1)C(=O)C[*:1]
COc1ccc(Cc2cccc(C3CCN(C(=O)Cc4cccnc4)CC3)n2)cc1 COc1ccc(cc1)[*:1] O=C(Cc1cccnc1)N1CCC(CC1)c1cccc(C[*:1])n1
COc1ccc(Cc2cccc(C3CCN(C(=O)Cc4cccnc4)CC3)n2)cc1 COc1ccc(cc1)C[*:1] O=C(Cc1cccnc1)N1CCC(CC1)c1cccc(n1)[*:1]
Cc1csc(CS[C@H](C)C(=O)NCC(F)(F)F)n1 FC(F)(F)[*:1] Cc1csc(CS[C@H](C)C(=O)NC[*:1])n1
Cc1csc(CS[C@H](C)C(=O)NCC(F)(F)F)n1 Cc1csc(n1)[*:1] C[C@@H](SC[*:1])C(=O)NCC(F)(F)F
Cc1csc(CS[C@H](C)C(=O)NCC(F)(F)F)n1 FC(F)(F)C[*:1] Cc1csc(CS[C@H](C)C(=O)N[*:1])n1
Cc1nc(-c2cccc(CNC(=O)Nc3ccc(F)c(C)c3)c2)n[nH]1 Cc1cc(ccc1F)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)CNC(=O)N[*:1]
Cc1nc(-c2cccc(CNC(=O)Nc3ccc(F)c(C)c3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] Cc1cc(ccc1F)NC(=O)NCc1cccc(c1)[*:1]
CCOc1ccccc1N1C(=O)C[C@H](Nc2cccc(OC)c2)C1=O COc1cccc(c1)[*:1] CCOc1ccccc1N1C(=O)C[C@H](N[*:1])C1=O
CCOc1ccccc1N1C(=O)C[C@H](Nc2cccc(OC)c2)C1=O CCO[*:1] COc1cccc(c1)N[C@H]1CC(=O)N(C1=O)c1ccccc1[*:1]
CCOc1ccccc1/C=N/NC(=O)c1ccccc1-n1cccc1 c1ccn(c1)[*:1] CCOc1ccccc1/C=N/NC(=O)c1ccccc1[*:1]
CCOc1ccccc1/C=N/NC(=O)c1ccccc1-n1cccc1 CCO[*:1] O=C(N/N=C/c1ccccc1[*:1])c1ccccc1-n1cccc1
O=C(NC1CCCC1)[C@H]1C[C@@H]1c1ccccc1 C1CCC(C1)[*:1] O=C(N[*:1])[C@H]1C[C@@H]1c1ccccc1
Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCOc2ccccc21)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)N1CCOc2ccccc21
Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCOc2ccccc21)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCOc2ccccc21)[*:1]
CSc1ccc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 CC(C)=C[*:1] CSc1ccc(cc1)NC(=O)[C@H]1[C@H](C1(C)C)[*:1]
C/C=C/C=C/C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 C/C=C/C=C[*:1] O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)[*:1]
C/C=C/C=C/C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 CC=C[*:1] O=C(C=C[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)NCc1ccc2c(c1)OCO2 O=C1CCCN1[*:1] C[C@H](Nc1ccc(cc1)[*:1])C(=O)NCc1ccc2OCOc2c1
C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@H](Nc1ccc(cc1)N1CCCC1=O)C(=O)NC[*:1]
O=C(CSC1=N[C@@H]2[NH+]=c3ccccc3=C2N=N1)NC1CCCCCC1 C1CCCC(CC1)[*:1] O=C(CSC1N=NC2=c3ccccc3=[NH+][C@H]2N=1)N[*:1]
CC(C)Cc1cnc2c(c1SCC(=O)NCc1ccco1)c(=O)n(C)c(=O)n2C CC(C)C[*:1] Cn1c(=O)c2c(SCC(=O)NCc3ccco3)c(cnc2n(C)c1=O)[*:1]
CC(C)Cc1cnc2c(c1SCC(=O)NCc1ccco1)c(=O)n(C)c(=O)n2C CC(C)[*:1] Cn1c(=O)c2c(SCC(=O)NCc3ccco3)c(cnc2n(C)c1=O)C[*:1]
CC(C)Cc1cnc2c(c1SCC(=O)NCc1ccco1)c(=O)n(C)c(=O)n2C c1coc(c1)[*:1] CC(C)Cc1cnc2c(c1SCC(=O)NC[*:1])c(=O)n(C)c(=O)n2C
CC(C)Cc1cnc2c(c1SCC(=O)NCc1ccco1)c(=O)n(C)c(=O)n2C O=C(NCc1ccco1)[*:1] CC(C)Cc1cnc2c(c1SC[*:1])c(=O)n(C)c(=O)n2C
CC(C)Cc1cnc2c(c1SCC(=O)NCc1ccco1)c(=O)n(C)c(=O)n2C c1coc(c1)C[*:1] CC(C)Cc1cnc2c(c1SCC(=O)N[*:1])c(=O)n(C)c(=O)n2C
C[C@@H](NC(=O)NCCc1nc2ccccc2[nH]1)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] C[C@@H](NC(=O)NCCc1nc2ccccc2[nH]1)[*:1]
CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)s1 CCc1ccc(s1)[*:1] FC(F)(F)c1cc(nc2onc(c12)C1CC1)[*:1]
CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)s1 C1CC1[*:1] CCc1ccc(s1)-c1cc(c2c(noc2n1)[*:1])C(F)(F)F
CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)noc3n2)s1 FC(F)(F)[*:1] CCc1ccc(s1)-c1cc(c2c(noc2n1)C1CC1)[*:1]
CCCC[NH+](C)CCOc1ccccc1C CCC[*:1] Cc1ccccc1OCC[NH+](C)C[*:1]
CCCC[NH+](C)CCOc1ccccc1C CCCC[*:1] Cc1ccccc1OCC[NH+](C)[*:1]
Cc1c(C(=O)Nc2ccc(-c3nncn3C)cc2)cnn1-c1ccccn1 Cn1cnnc1[*:1] Cc1c(cnn1-c1ccccn1)C(=O)Nc1ccc(cc1)[*:1]
Cc1c(C(=O)Nc2ccc(-c3nncn3C)cc2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc(cc1)-c1nncn1C
Cc1ccc(C(=O)CC(C)(C)C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)C(=O)CC(C)(C)[*:1]
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 Cc1nc(sc1C)[*:1] CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 c1ccc(cc1)[*:1] CCN(C[*:1])S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(C)c(C)s1
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 c1ccc(cc1)C[*:1] CCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(C)c(C)s1)[*:1]
O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2C[C@H]3CCCc4cccc2c43)c1 O=[N+]([O-])[*:1] O=S(=O)(Cc1cccc(c1)[*:1])N[C@@H]1C[C@H]2CCCc3cccc1c32
CN(C)C(=O)[C@H]1CCCN(c2cc(Br)cc(F)c2C(N)=O)C1 CN(C)C(=O)[*:1] NC(=O)c1c(F)cc(Br)cc1N1CCC[C@@H](C1)[*:1]
CN(C)C(=O)[C@H]1CCCN(c2cc(Br)cc(F)c2C(N)=O)C1 NC(=O)[*:1] CN(C)C(=O)[C@H]1CCCN(C1)c1cc(Br)cc(F)c1[*:1]
CC(=O)ON1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)ON1C(=O)c2ccccc2N[C@H]1c1ccc(cc1)[*:1]
O=C(c1ccc(F)cc1Cl)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 FC(F)(F)[*:1] O=C(c1ccc(F)cc1Cl)N1CCO[C@@H](C1)c1ccc(cc1)[*:1]
O=C(c1ccc(F)cc1Cl)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 Fc1ccc(c(Cl)c1)[*:1] O=C(N1CCO[C@@H](C1)c1ccc(cc1)C(F)(F)F)[*:1]
CC(C)c1ccc(OCC(=O)Nc2c(F)cc(F)cc2F)cc1 CC(C)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1c(F)cc(F)cc1F
CC(=O)N1CCN(C(=O)CNc2cccc(Oc3ccccc3)c2)CC1 c1ccc(cc1)O[*:1] CC(=O)N1CCN(CC1)C(=O)CNc1cccc(c1)[*:1]
CC(=O)N1CCN(C(=O)CNc2cccc(Oc3ccccc3)c2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CC1)C(=O)CNc1cccc(c1)O[*:1]
COC[C@H](C)[C@H](CC(C)C)C(=O)[O-] CC(C)[*:1] COC[C@H](C)[C@H](C[*:1])C(=O)[O-]
COC[C@H](C)[C@H](CC(C)C)C(=O)[O-] O=C([O-])[*:1] COC[C@H](C)[C@H](CC(C)C)[*:1]
COC[C@H](C)[C@H](CC(C)C)C(=O)[O-] CC(C)C[*:1] COC[C@H](C)[C@H](C(=O)[O-])[*:1]
COC[C@H](C)[C@H](CC(C)C)C(=O)[O-] COC[*:1] CC(C)C[C@H](C(=O)[O-])[C@@H](C)[*:1]
COCC[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2 COCC[*:1] C[C@H](C(=O)NNC(=O)c1cc2CCCCCCc2s1)[*:1]
COCC[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2 COC[*:1] C[C@@H](C[*:1])C(=O)NNC(=O)c1cc2CCCCCCc2s1
CCC(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F Cc1cc(C)n(n1)[*:1] CCC(=O)NCc1ccc(cc1C(F)(F)F)[*:1]
CCC(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F CCC(=O)NC[*:1] Cc1cc(C)n(n1)-c1ccc(c(c1)C(F)(F)F)[*:1]
CCC(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F CCC(=O)N[*:1] Cc1cc(C)n(n1)-c1ccc(C[*:1])c(c1)C(F)(F)F
CCC(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F FC(F)(F)[*:1] CCC(=O)NCc1ccc(cc1[*:1])-n1nc(C)cc1C
COc1cc([C@@H](C)[NH2+]C[C@@H](O)C2CCCC2)ccc1F C1CCC(C1)[*:1] COc1cc(ccc1F)[C@@H](C)[NH2+]C[C@@H](O)[*:1]
COc1ccc([C@H](O)c2ccccc2[C@H](O)c2ccc(OC)cc2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](O)c1ccccc1[C@@H](O)[*:1]
C[C@@H](c1ccco1)N(C[C@H](O)c1cccc(F)c1)C1CC1 Fc1cccc(c1)[*:1] C[C@@H](c1ccco1)N(C[C@H](O)[*:1])C1CC1
C[C@@H](c1ccco1)N(C[C@H](O)c1cccc(F)c1)C1CC1 C1CC1[*:1] C[C@@H](c1ccco1)N(C[C@H](O)c1cccc(F)c1)[*:1]
C[C@@H](c1ccco1)N(C[C@H](O)c1cccc(F)c1)C1CC1 C[C@@H](c1ccco1)[*:1] O[C@@H](CN(C1CC1)[*:1])c1cccc(F)c1
C[C@@H](c1ccco1)N(C[C@H](O)c1cccc(F)c1)C1CC1 c1coc(c1)[*:1] C[C@@H](N(C[C@H](O)c1cccc(F)c1)C1CC1)[*:1]
Cc1ccc(-n2ncc3c2ncn2nc(COc4cc(C)ccc4C(C)C)nc32)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(c(c1)OCc1nc2c3cnn(c3ncn2n1)[*:1])C(C)C
Cc1ccc(-n2ncc3c2ncn2nc(COc4cc(C)ccc4C(C)C)nc32)cc1 Cc1ccc(c(c1)[*:1])C(C)C Cc1ccc(cc1)-n1ncc2c1ncn1nc(CO[*:1])nc21
Cc1ccc(-n2ncc3c2ncn2nc(COc4cc(C)ccc4C(C)C)nc32)cc1 CC(C)[*:1] Cc1ccc(cc1)-n1ncc2c1ncn1nc(COc3cc(C)ccc3[*:1])nc21
O=C1CCCN1Cc1nc(-c2ccc(F)c(Cl)c2)no1 O=C1CCCN1[*:1] Fc1ccc(cc1Cl)-c1noc(C[*:1])n1
CCCCn1c(S[C@H](C)c2nc(C)no2)n[nH]c1=O CCCC[*:1] Cc1noc(n1)[C@@H](C)Sc1n[nH]c(=O)n1[*:1]
CCCCn1c(S[C@H](C)c2nc(C)no2)n[nH]c1=O Cc1noc(n1)[*:1] CCCCn1c(n[nH]c1=O)S[C@H](C)[*:1]
CCCCn1c(S[C@H](C)c2nc(C)no2)n[nH]c1=O CCC[*:1] Cc1noc(n1)[C@@H](C)Sc1n[nH]c(=O)n1C[*:1]
NC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1 NC(=O)[*:1] O=C(CCC(=O)c1ccc(cc1)-c1ccccc1)Nc1ccc(cc1)[*:1]
NC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1 NC(=O)c1ccc(cc1)[*:1] O=C(CCC(=O)c1ccc(cc1)-c1ccccc1)N[*:1]
NC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)NC(=O)CCC(=O)c1ccc(cc1)[*:1]
COc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 COc1ccccc1[*:1] CC(C)(C)OC(=O)N1CC[C@H](C1)NC(=O)C[*:1]
COc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] COc1ccccc1CC(=O)N[C@@H]1CCN(C1)C(=O)O[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1Cl c1ccc(cc1)[*:1] N#CC1=C(N)Oc2[nH]nc(c2[C@H]1c1ccccc1Cl)[*:1]
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1Cl Clc1ccccc1[*:1] N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1[*:1]
O=C(Cc1ccc(NC(=O)c2cc3ccoc3s2)cc1)NCc1cccs1 O=C(NCc1cccs1)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1cc2ccoc2s1
O=C(Cc1ccc(NC(=O)c2cc3ccoc3s2)cc1)NCc1cccs1 c1csc(c1)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cc2ccoc2s1)NC[*:1]
O=C(Cc1ccc(NC(=O)c2cc3ccoc3s2)cc1)NCc1cccs1 c1csc(c1)C[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cc2ccoc2s1)N[*:1]
Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C)cc1C(=O)NC(C)C CC(C)[*:1] Cc1ccc(cc1C(=O)N[*:1])NC(=O)N1CC[C@@H](C)C[C@H]1C
Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C)cc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CC[C@@H](C)C[C@H]1C
CC1(C)CCC[C@@](C)(CCC(=O)[O-])C1=O O=C([O-])C[*:1] CC1(C)CCC[C@@](C)(C[*:1])C1=O
CC1(C)CCC[C@@](C)(CCC(=O)[O-])C1=O O=C([O-])CC[*:1] CC1(C)CCC[C@@](C)(C1=O)[*:1]
CC1(C)CCC[C@@](C)(CCC(=O)[O-])C1=O O=C([O-])[*:1] CC1(C)CCC[C@@](C)(CC[*:1])C1=O
COCCCNC(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 COCCC[*:1] Cc1cccn2cc(nc12)-c1ccc(cc1)NC(=O)C(=O)N[*:1]
COCCCNC(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 COCC[*:1] Cc1cccn2cc(nc12)-c1ccc(cc1)NC(=O)C(=O)NC[*:1]
COCCCNC(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 COC[*:1] Cc1cccn2cc(nc12)-c1ccc(cc1)NC(=O)C(=O)NCC[*:1]
COc1ccc(C=O)cc1COc1ccccn1 c1ccc(nc1)[*:1] COc1ccc(C=O)cc1CO[*:1]
O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1ncnc1N2 Clc1ccc(cc1)[*:1] O=C1C[C@@H](CC2Nc3ncnn3[C@H](C=21)[*:1])c1ccc(F)cc1
O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc(Cl)cc1)n1ncnc1N2 Fc1ccc(cc1)[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@@H](C=21)c1ccc(Cl)cc1)[*:1]
COCC[C@]1(O)CCN(C(=O)Cc2cccc(OC)c2)C[C@H]1C COC[*:1] COc1cccc(c1)CC(=O)N1CC[C@@](O)(C[*:1])[C@H](C)C1
COCC[C@]1(O)CCN(C(=O)Cc2cccc(OC)c2)C[C@H]1C COCC[*:1] COc1cccc(c1)CC(=O)N1CC[C@@](O)([C@H](C)C1)[*:1]
COc1ccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c(OC)c1 c1ccc(cc1)O[*:1] COc1ccc(NC(=O)Nc2cc3c(cc2[*:1])n(C)c(=O)n3C)c(c1)OC
COc1ccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)Nc2cc3c(cc2O[*:1])n(C)c(=O)n3C)c(c1)OC
COc1ccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cn1c(=O)n(C)c2cc(Oc3ccccc3)c(cc21)NC(=O)N[*:1]
O=S1(=O)C[C@@H]2[C@@H](C1)N(c1cccc3ccccc13)C(=S)N2c1ccccc1 c1ccc(cc1)[*:1] O=S1(=O)C[C@@H]2[C@@H](C1)N(C(=S)N2c1cccc2ccccc12)[*:1]
CCc1ccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(Cl)cc4)c(=O)n32)cc1 CCc1ccc(cc1)[*:1] O=C(C[C@H]1CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)n21)N[*:1]
CCc1ccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(Cl)cc4)c(=O)n32)cc1 Clc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)C[C@H]1CSc2nc3c(cnn3[*:1])c(=O)n21
Cc1nc(-c2ccccc2)sc1-c1nnc(C2CC2)o1 C1CC1[*:1] Cc1nc(sc1-c1nnc(o1)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1-c1nnc(C2CC2)o1 c1ccc(cc1)[*:1] Cc1nc(sc1-c1nnc(o1)C1CC1)[*:1]
CCNC(=O)CNC(=O)[C@@H](C)NC(C)=O CC(=O)N[*:1] CCNC(=O)CNC(=O)[C@@H](C)[*:1]
CCNC(=O)CNC(=O)[C@@H](C)NC(C)=O CCNC(=O)[*:1] CC(=O)N[C@H](C)C(=O)NC[*:1]
Cc1cn2c(CN3CCN(CC#N)CC3)c(C)nc2s1 N#CC[*:1] Cc1cn2c(CN3CCN(CC3)[*:1])c(C)nc2s1
C[C@@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1cccc(Cl)c1 C[C@@H](c1cccc(Cl)c1)[*:1] CN(CC(=O)N[*:1])Cc1nc2ccccc2c(=O)[nH]1
C[C@@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1)[*:1]
Cc1cc2ncc([C@H](C)NCC3(S(C)(=O)=O)CCOCC3)c(C)n2n1 CS(=O)(=O)[*:1] Cc1cc2ncc(c(C)n2n1)[C@H](C)NCC1(CCOCC1)[*:1]
CCNC(=O)NC(=O)[C@@H](C)Sc1nnnn1CC(C)C CC(C)[*:1] CCNC(=O)NC(=O)[C@@H](C)Sc1nnnn1C[*:1]
CCNC(=O)NC(=O)[C@@H](C)Sc1nnnn1CC(C)C CC(C)C[*:1] CCNC(=O)NC(=O)[C@@H](C)Sc1nnnn1[*:1]
CC(C)(C)C(=O)NCCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 CC(C)(C)C(=O)NCC[*:1] O=C(C[*:1])N1CCc2cc(ccc21)S(=O)(=O)N1CCCCC1
CC(C)(C)C(=O)NCCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 CC(C)(C)C(=O)NCCC[*:1] O=C(N1CCc2cc(ccc21)S(=O)(=O)N1CCCCC1)[*:1]
CC(C)(C)C(=O)NCCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 O=S(=O)(N1CCCCC1)[*:1] CC(C)(C)C(=O)NCCCC(=O)N1CCc2cc(ccc21)[*:1]
CC(C)(C)C(=O)NCCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 CC(C)(C)C(=O)N[*:1] O=C(CCC[*:1])N1CCc2cc(ccc21)S(=O)(=O)N1CCCCC1
CC(C)(C)C(=O)NCCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 CC(C)(C)[*:1] O=C(CCCNC(=O)[*:1])N1CCc2cc(ccc21)S(=O)(=O)N1CCCCC1
CC(C)(C)C(=O)NCCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 CC(C)(C)C(=O)NC[*:1] O=C(CC[*:1])N1CCc2cc(ccc21)S(=O)(=O)N1CCCCC1
N#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 N#Cc1cccc(c1)[*:1] N#Cc1ccc(cc1)C(=O)Nc1ccc(cc1)OC[*:1]
N#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 N#Cc1cccc(c1)C[*:1] N#Cc1ccc(cc1)C(=O)Nc1ccc(cc1)O[*:1]
N#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)cc1 N#Cc1ccc(cc1)[*:1] N#Cc1cccc(c1)COc1ccc(cc1)NC(=O)[*:1]
C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1Cc2ccccc2C1=O Clc1ccc(nc1)[*:1] C[C@@H](C(=O)N[*:1])N1Cc2ccccc2C1=O
CCOC(=O)C(=O)NNC(=O)[C@H]1C[C@H]1c1sccc1C Cc1ccsc1[*:1] CCOC(=O)C(=O)NNC(=O)[C@H]1C[C@@H]1[*:1]
COc1ccc(C)cc1NC(=O)[C@H](Sc1cc(C#N)ccn1)C(C)C N#Cc1ccnc(c1)[*:1] COc1ccc(C)cc1NC(=O)[C@H](S[*:1])C(C)C
COc1ccc(C)cc1NC(=O)[C@H](Sc1cc(C#N)ccn1)C(C)C CC(C)[*:1] COc1ccc(C)cc1NC(=O)[C@H](Sc1cc(C#N)ccn1)[*:1]
COc1cccc(CC(=O)N(C)c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CC(=O)N(C)[*:1]
C[C@H](NC(=O)c1ccccc1-c1[nH+]ccn1C)c1ccc(O)c(F)c1 Oc1ccc(cc1F)[*:1] C[C@H](NC(=O)c1ccccc1-c1[nH+]ccn1C)[*:1]
CCCN(Cn1c(=S)ncn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 CCC[*:1] O=S1(=O)CC[C@@H](C1)N(Cn1c(=S)ncn1-c1ccccc1)[*:1]
CCCN(Cn1c(=S)ncn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CCCN(Cn1c(=S)ncn1[*:1])[C@H]1CCS(=O)(=O)C1
CCCN(Cn1c(=S)ncn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CCCN(Cn1c(=S)ncn1-c1ccccc1)[*:1]
CC(C)c1noc(CCCNC(=O)NC2CCCCCCC2)n1 CC(C)[*:1] O=C(NCCCc1nc(no1)[*:1])NC1CCCCCCC1
CC(C)CCOc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1 N#CC[*:1] CC(C)CCOc1cccc(c1)NC(=O)N(C)[C@H](C)[*:1]
CC(C)CCOc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1 CC(C)[*:1] C[C@H](CC#N)N(C)C(=O)Nc1cccc(c1)OCC[*:1]
CC(C)CCOc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1 CC(C)CCO[*:1] C[C@H](CC#N)N(C)C(=O)Nc1cccc(c1)[*:1]
CC(C)CCOc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1 CC(C)C[*:1] C[C@H](CC#N)N(C)C(=O)Nc1cccc(c1)OC[*:1]
CC(C)CCOc1cccc(NC(=O)N(C)[C@H](C)CC#N)c1 CC(C)CC[*:1] C[C@H](CC#N)N(C)C(=O)Nc1cccc(c1)O[*:1]
CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CCNS(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] CCNS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 CCNS(=O)(=O)[*:1] O=C(NC[C@@H]1CCCO1)c1ccc(cc1)[*:1]
CCN[C@H](c1cccs1)[C@@](C)(CC)[NH+]1CCCCC1 CCN[*:1] CC[C@](C)([C@@H](c1cccs1)[*:1])[NH+]1CCCCC1
CCN[C@H](c1cccs1)[C@@](C)(CC)[NH+]1CCCCC1 c1csc(c1)[*:1] CCN[C@H]([C@@](C)(CC)[NH+]1CCCCC1)[*:1]
CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)C3CCCCC3)cc21 C1CCC(CC1)[*:1] CCN1C(=O)C(C)(C)COc2ccc(cc21)NS(=O)(=O)[*:1]
CCO[C@H]1C[C@H](NC(=O)N2CCCN(c3nccs3)CC2)C12CCCC2 c1csc(n1)[*:1] CCO[C@H]1C[C@H](NC(=O)N2CCCN(CC2)[*:1])C12CCCC2
CCO[C@H]1C[C@H](NC(=O)N2CCCN(c3nccs3)CC2)C12CCCC2 CCO[*:1] O=C(N[C@H]1C[C@@H](C12CCCC2)[*:1])N1CCCN(CC1)c1nccs1
O=C(c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)N1CCN(C(=O)[C@H]2CCCO2)CC1 Clc1cccc(c1)[*:1] O=C(c1cc(-c2ccco2)n(n1)[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
O=C(c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)N1CCN(C(=O)[C@H]2CCCO2)CC1 c1coc(c1)[*:1] O=C(c1cc(n(n1)-c1cccc(Cl)c1)[*:1])N1CCN(CC1)C(=O)[C@H]1CCCO1
COc1ccccc1NC(=O)[C@H](C)c1nc(CC(=O)[O-])cs1 O=C([O-])C[*:1] COc1ccccc1NC(=O)[C@H](C)c1nc(cs1)[*:1]
COc1ccccc1NC(=O)[C@H](C)c1nc(CC(=O)[O-])cs1 O=C([O-])[*:1] COc1ccccc1NC(=O)[C@H](C)c1nc(cs1)C[*:1]
COc1ccc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1OC(F)F FC(F)[*:1] COc1ccc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1O[*:1]
COc1ccc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1OC(F)F FC(F)O[*:1] COc1ccc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1[*:1]
COc1ccc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1OC(F)F C1CCC(C1)[*:1] COc1ccc(/C=C2\SC(=N[*:1])NC2=O)cc1OC(F)F
C=C(C)CCOC(=O)C=C1CCSCC1 C=C(C)CC[*:1] O=C(C=C1CCSCC1)O[*:1]
C=C(C)CCOC(=O)C=C1CCSCC1 C=C(C)C[*:1] O=C(C=C1CCSCC1)OC[*:1]
C=C(C)CCOC(=O)C=C1CCSCC1 C=C(C)[*:1] O=C(C=C1CCSCC1)OCC[*:1]
CCN(Cc1cccc(C)n1)Cc1csc(C(=O)[O-])n1 O=C([O-])[*:1] CCN(Cc1cccc(C)n1)Cc1csc(n1)[*:1]
O=C(COc1ccccc1)NCC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(COc1ccccc1)NCC(=O)N1CCN(CC1)[*:1]
O=C(COc1ccccc1)NCC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(COc1ccccc1)NCC(=O)N1CCN(CC1)C[*:1]
O=C(COc1ccccc1)NCC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])NCC(=O)N1CCN(CC1)Cc1ccccc1
O=C(COc1ccccc1)NCC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)OC[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)Cc1ccccc1
O=C(COc1ccccc1)NCC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])NCC(=O)N1CCN(CC1)Cc1ccccc1
O=C([O-])CSc1nc2cc(Br)cnc2n1CCC1CC1 O=C([O-])C[*:1] Brc1cnc2c(c1)nc(S[*:1])n2CCC1CC1
O=C([O-])CSc1nc2cc(Br)cnc2n1CCC1CC1 O=C([O-])CS[*:1] Brc1cnc2c(c1)nc(n2CCC1CC1)[*:1]
O=C([O-])CSc1nc2cc(Br)cnc2n1CCC1CC1 O=C([O-])[*:1] Brc1cnc2c(c1)nc(SC[*:1])n2CCC1CC1
O=C([O-])CSc1nc2cc(Br)cnc2n1CCC1CC1 C1CC1C[*:1] O=C([O-])CSc1nc2cc(Br)cnc2n1C[*:1]
O=C([O-])CSc1nc2cc(Br)cnc2n1CCC1CC1 C1CC1CC[*:1] O=C([O-])CSc1nc2cc(Br)cnc2n1[*:1]
O=C([O-])CSc1nc2cc(Br)cnc2n1CCC1CC1 C1CC1[*:1] O=C([O-])CSc1nc2cc(Br)cnc2n1CC[*:1]
CCOc1ccccc1[C@H](C)[NH2+][C@@H](CC)c1c(C)noc1C CCO[*:1] CC[C@H]([NH2+][C@@H](C)c1ccccc1[*:1])c1c(C)noc1C
CCOc1ccccc1[C@H](C)[NH2+][C@@H](CC)c1c(C)noc1C Cc1noc(C)c1[*:1] CCOc1ccccc1[C@H](C)[NH2+][C@@H](CC)[*:1]
O=C(Nc1ncccc1OC(F)F)c1ccc2ccccc2c1 FC(F)O[*:1] O=C(Nc1ncccc1[*:1])c1ccc2ccccc2c1
O=C(Nc1ncccc1OC(F)F)c1ccc2ccccc2c1 FC(F)[*:1] O=C(Nc1ncccc1O[*:1])c1ccc2ccccc2c1
O=C(NCCc1ccccc1F)N[C@H]1CCc2ccccc21 Fc1ccccc1[*:1] O=C(NCC[*:1])N[C@H]1CCc2ccccc21
CC[C@H](C)N1C(N)=[NH+]C[C@H]1c1cccc(F)c1F CC[C@H](C)[*:1] NC1=[NH+]C[C@@H](c2cccc(F)c2F)N1[*:1]
CC(C)(C)CC(=O)NNC(=O)Cc1cccc(F)c1F CC(C)(C)C[*:1] O=C(Cc1cccc(F)c1F)NNC(=O)[*:1]
CC(C)(C)CC(=O)NNC(=O)Cc1cccc(F)c1F CC(C)(C)[*:1] O=C(Cc1cccc(F)c1F)NNC(=O)C[*:1]
NC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCSc1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCS[*:1]
NC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCSc1ccccc1 NC(=O)[*:1] O=C(NCCSc1ccccc1)N[C@@H]1CCC[C@H]1[*:1]
NC(=O)[C@@H]1CCC[C@H]1NC(=O)NCCSc1ccccc1 c1ccc(cc1)S[*:1] NC(=O)[C@@H]1CCC[C@H]1NC(=O)NCC[*:1]
CC(=O)N1CCN(Cc2cccc(NC(=O)c3ccc(C)c(C)c3)n2)CC1 Cc1ccc(cc1C)[*:1] CC(=O)N1CCN(CC1)Cc1cccc(n1)NC(=O)[*:1]
CC(=O)N1CCN(Cc2cccc(NC(=O)c3ccc(C)c(C)c3)n2)CC1 CC(=O)N1CCN(CC1)[*:1] Cc1ccc(cc1C)C(=O)Nc1cccc(C[*:1])n1
CN1C[C@H](NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)CCC1=O CC(C)(C)OC(=O)[*:1] CN1C[C@@H](CCC1=O)NC(=O)c1ccc(cc1)[*:1]
CN1C[C@H](NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)CCC1=O CC(C)(C)[*:1] CN1C[C@@H](CCC1=O)NC(=O)c1ccc(cc1)C(=O)O[*:1]
CCN(CC)C(=O)[C@H](C)Sc1nnnn1C1CCCC1 C1CCC(C1)[*:1] CCN(CC)C(=O)[C@H](C)Sc1nnnn1[*:1]
CCOc1ccc([C@@H](N[C@@H](C)c2cnc(C)s2)c2ccccc2)cc1 CCO[*:1] Cc1ncc(s1)[C@H](C)N[C@@H](c1ccccc1)c1ccc(cc1)[*:1]
CCOc1ccc([C@@H](N[C@@H](C)c2cnc(C)s2)c2ccccc2)cc1 Cc1ncc(s1)[*:1] CCOc1ccc(cc1)[C@@H](N[C@@H](C)[*:1])c1ccccc1
CCOc1ccc([C@@H](N[C@@H](C)c2cnc(C)s2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@@H](N[C@@H](C)c1cnc(C)s1)[*:1]
O=C(NCC1([O-])CCC1)c1ccccc1O [O-]C1(CCC1)[*:1] O=C(NC[*:1])c1ccccc1O
CC[C@H](CNC(=O)c1cc(C#N)cs1)Oc1cccc(C)c1 N#Cc1csc(c1)[*:1] CC[C@H](CNC(=O)[*:1])Oc1cccc(C)c1
CC[C@H](CNC(=O)c1cc(C#N)cs1)Oc1cccc(C)c1 Cc1cccc(c1)[*:1] CC[C@H](CNC(=O)c1cc(C#N)cs1)O[*:1]
O=C1[C@H]2CC[C@H](CN(Cc3ccccn3)C2)N1Cc1cscn1 c1ccc(C[*:1])nc1 O=C1[C@H]2CC[C@H](CN(C2)[*:1])N1Cc1cscn1
O=C1[C@H]2CC[C@H](CN(Cc3ccccn3)C2)N1Cc1cscn1 c1nc(cs1)[*:1] O=C1[C@H]2CC[C@H](CN(Cc3ccccn3)C2)N1C[*:1]
O=C1[C@H]2CC[C@H](CN(Cc3ccccn3)C2)N1Cc1cscn1 c1ccc(nc1)[*:1] O=C1[C@H]2CC[C@H](CN(C2)C[*:1])N1Cc1cscn1
O=C1[C@H]2CC[C@H](CN(Cc3ccccn3)C2)N1Cc1cscn1 c1nc(cs1)C[*:1] O=C1[C@H]2CC[C@H](CN(Cc3ccccn3)C2)N1[*:1]
CC(=O)OC[C@H](OC(C)=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1 CC(=O)O[*:1] CC(=O)O[C@@H](C[*:1])[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1
CC(=O)OC[C@H](OC(C)=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1 CC1(C)OC[C@H](O1)[*:1] CC(=O)OC[C@H](OC(C)=O)[C@@H]1OC(C)(C)O[C@@H]1[*:1]
CC(=O)OC[C@H](OC(C)=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1 CC(=O)O[*:1] CC(=O)OC[C@H]([C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1)[*:1]
CC(=O)OC[C@H](OC(C)=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1 CC(=O)OC[*:1] CC(=O)O[C@H]([C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1)[*:1]
C/C=C/CCNC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] C/C=C/CCNC(=O)N[C@@H]1CCO[C@H]1[*:1]
C/C=C/CCNC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 C/C=C/CC[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N[*:1]
C/C=C/CCNC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 C/C=C/C[*:1] O=C(NC[*:1])N[C@@H]1CCO[C@@H]1c1ccccc1
C/C=C/CCNC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 CC=C[*:1] O=C(NCC[*:1])N[C@@H]1CCO[C@@H]1c1ccccc1
C/C=C(\C)C(=O)N1CCSC[C@@H]1CC(=O)OC COC(=O)C[*:1] C/C=C(\C)C(=O)N1CCSC[C@H]1[*:1]
C/C=C(\C)C(=O)N1CCSC[C@@H]1CC(=O)OC CC=C(C)[*:1] COC(=O)C[C@H]1CSCCN1C(=O)[*:1]
C/C=C(\C)C(=O)N1CCSC[C@@H]1CC(=O)OC COC(=O)[*:1] C/C=C(\C)C(=O)N1CCSC[C@@H]1C[*:1]
CC[C@@H]1CN(C(=O)c2ccnc(OC(C)(C)C)c2)CCN1CC(F)F CC(C)(C)O[*:1] CC[C@@H]1CN(CCN1CC(F)F)C(=O)c1ccnc(c1)[*:1]
CC[C@@H]1CN(C(=O)c2ccnc(OC(C)(C)C)c2)CCN1CC(F)F FC(F)[*:1] CC[C@@H]1CN(CCN1C[*:1])C(=O)c1ccnc(c1)OC(C)(C)C
CC[C@@H]1CN(C(=O)c2ccnc(OC(C)(C)C)c2)CCN1CC(F)F FC(F)C[*:1] CC[C@@H]1CN(CCN1[*:1])C(=O)c1ccnc(c1)OC(C)(C)C
CC[C@@H]1CN(C(=O)c2ccnc(OC(C)(C)C)c2)CCN1CC(F)F CC(C)(C)[*:1] CC[C@@H]1CN(CCN1CC(F)F)C(=O)c1ccnc(c1)O[*:1]
Cn1cc[nH+]c1CNC(=O)c1cccc(OCc2ccccc2C#N)c1 N#Cc1ccccc1[*:1] Cn1cc[nH+]c1CNC(=O)c1cccc(c1)OC[*:1]
CC(C)Cc1ccc([C@@H](Cl)C(=O)N2CCOCC2)cc1 CC(C)[*:1] O=C([C@H](Cl)c1ccc(cc1)C[*:1])N1CCOCC1
CC(C)Cc1ccc([C@@H](Cl)C(=O)N2CCOCC2)cc1 CC(C)C[*:1] O=C([C@H](Cl)c1ccc(cc1)[*:1])N1CCOCC1
CCOC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1 CCOC(=O)[*:1] O=C(NC(=S)Nc1ccc(cc1)[*:1])C1CC1
CCOC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1 C1CC1[*:1] CCOC(=O)c1ccc(cc1)NC(=S)NC(=O)[*:1]
O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cnc(-c2cccs2)s1 c1csc(c1)[*:1] O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cnc(s1)[*:1]
O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1cnc(-c2cccs2)s1 c1ccc(cc1)[*:1] O=C(N[C@@H](C(=O)Nc1cc[nH]n1)[*:1])c1cnc(s1)-c1cccs1
CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 CC1CCN(CC1)S(=O)(=O)[*:1] CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(cc1)[*:1]
CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 Cc1cccc(c1)[*:1] CC[C@H](O[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 Cc1cccc(c1)O[*:1] CC[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1)[*:1]
COC(=O)[C@H]1CCN(C(=O)N2C[C@@H](C)[C@@H](C(=O)[O-])C2)C1 COC(=O)[*:1] C[C@@H]1CN(C[C@@H]1C(=O)[O-])C(=O)N1CC[C@@H](C1)[*:1]
COC(=O)[C@H]1CCN(C(=O)N2C[C@@H](C)[C@@H](C(=O)[O-])C2)C1 O=C([O-])[*:1] COC(=O)[C@H]1CCN(C1)C(=O)N1C[C@@H](C)[C@@H](C1)[*:1]
C[C@@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)c1ccccc1Cl Clc1ccccc1[*:1] C[C@@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)[*:1]
Cc1ccc(CCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1 Cc1ccc(C[*:1])s1 O=C(CC[*:1])NN1C(=O)NC2(CCCCC2)C1=O
Cc1ccc(CCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1 Cc1ccc(s1)[*:1] O=C(CCC[*:1])NN1C(=O)NC2(CCCCC2)C1=O
Cc1ccc(CCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1 Cc1ccc(CC[*:1])s1 O=C(C[*:1])NN1C(=O)NC2(CCCCC2)C1=O
CC(C)Nc1cccc(CNC(=O)Nc2nc(C(C)C)nn2C)c1 CC(C)N[*:1] CC(C)c1nc(NC(=O)NCc2cccc(c2)[*:1])n(C)n1
CC(C)Nc1cccc(CNC(=O)Nc2nc(C(C)C)nn2C)c1 CC(C)[*:1] CC(C)c1nc(NC(=O)NCc2cccc(c2)N[*:1])n(C)n1
CC(C)Nc1cccc(CNC(=O)Nc2nc(C(C)C)nn2C)c1 CC(C)[*:1] CC(C)Nc1cccc(c1)CNC(=O)Nc1nc(nn1C)[*:1]
CC(C)CN1C(=O)CC(=O)N[C@@H]1SCC(=O)Nc1ccccc1C(C)C CC(C)C[*:1] CC(C)c1ccccc1NC(=O)CS[C@H]1NC(=O)CC(=O)N1[*:1]
CC(C)CN1C(=O)CC(=O)N[C@@H]1SCC(=O)Nc1ccccc1C(C)C CC(C)[*:1] CC(C)CN1C(=O)CC(=O)N[C@@H]1SCC(=O)Nc1ccccc1[*:1]
CC(C)CN1C(=O)CC(=O)N[C@@H]1SCC(=O)Nc1ccccc1C(C)C CC(C)[*:1] CC(C)c1ccccc1NC(=O)CS[C@H]1NC(=O)CC(=O)N1C[*:1]
O=C(Nc1ccncc1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 c1cc(ccn1)[*:1] O=C(N[C@H]1CC(=O)N(C1)c1ccc2OCCOc2c1)N[*:1]
O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N[C@@H]1C=C[C@H](CO)C1 Fc1ccc(cc1)[*:1] O=C(NC[C@@H]1CCN(C1)[*:1])N[C@@H]1C=C[C@H](CO)C1
CSc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)CN(S(=O)(=O)c1ccc(F)cc1)[*:1]
CSc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 CSc1cccc(c1)[*:1] O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N[*:1]
CSc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)CN(c1ccccc1)S(=O)(=O)[*:1]
Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 Cc1ccc(cc1)[*:1] c1ccc(cc1)Cn1ncc2c1CCC[C@@H]2[NH2+]C[*:1]
Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)C[NH2+][C@H]1CCCc2c1cnn2[*:1]
Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C[NH2+][C@H]1CCCc2c1cnn2C[*:1]
Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 Cc1ccc(cc1)C[*:1] c1ccc(cc1)Cn1ncc2c1CCC[C@@H]2[NH2+][*:1]
Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3c(F)cc(F)cc3s2)nn1C(C)C CC(C)[*:1] Cc1cc(nn1[*:1])C(=O)N(CCC[NH+](C)C)c1nc2c(F)cc(F)cc2s1
Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3c(F)cc(F)cc3s2)nn1C(C)C Cc1cc(nn1C(C)C)[*:1] C[NH+](C)CCCN(C(=O)[*:1])c1nc2c(F)cc(F)cc2s1
O=C(Nc1cc(F)ccc1F)[C@H]1C[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1cc(F)ccc1F)[C@H]1C[C@@H]1[*:1]
CNC(=O)[C@@H](NC(=O)CCCc1ccc(C)s1)c1ccc(F)c(F)c1 Cc1ccc(CC[*:1])s1 CNC(=O)[C@@H](NC(=O)C[*:1])c1ccc(F)c(F)c1
CNC(=O)[C@@H](NC(=O)CCCc1ccc(C)s1)c1ccc(F)c(F)c1 CNC(=O)[*:1] Cc1ccc(CCCC(=O)N[C@@H](c2ccc(F)c(F)c2)[*:1])s1
CNC(=O)[C@@H](NC(=O)CCCc1ccc(C)s1)c1ccc(F)c(F)c1 Cc1ccc(s1)[*:1] CNC(=O)[C@@H](NC(=O)CCC[*:1])c1ccc(F)c(F)c1
CNC(=O)[C@@H](NC(=O)CCCc1ccc(C)s1)c1ccc(F)c(F)c1 Cc1ccc(C[*:1])s1 CNC(=O)[C@@H](NC(=O)CC[*:1])c1ccc(F)c(F)c1
CNC(=O)[C@@H](NC(=O)CCCc1ccc(C)s1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CNC(=O)[C@@H](NC(=O)CCCc1ccc(C)s1)[*:1]
COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)ccc1O c1nc(c2nc[nH]c2n1)[*:1] COc1cc(ccc1O)[C@@H]1CC(=O)Nc2c1c(C)nn2[*:1]
COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)ccc1O COc1cc(ccc1O)[*:1] Cc1nn(-c2ncnc3[nH]cnc23)c2NC(=O)C[C@H](c12)[*:1]
CCN(Cc1ccco1)C[C@@](C)([NH3+])CC c1coc(c1)[*:1] CCN(C[C@@](C)([NH3+])CC)C[*:1]
CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1cccc(F)c1 CC(C)(C)[*:1] O=C1CSC2(CCC(CC2)[*:1])N1c1cccc(F)c1
CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)(C)C1CCC2(CC1)SCC(=O)N2[*:1]
CC(=O)c1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1 CC(=O)[*:1] O=C(NC[C@H](O)c1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)NC[C@H](O)[*:1]
CC(=O)c1ccccc1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 c1cc2nncn2nc1[*:1] CC(=O)c1ccccc1NC(=O)C1CCN(CC1)[*:1]
CC(=O)c1ccccc1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 CC(=O)[*:1] O=C(Nc1ccccc1[*:1])C1CCN(CC1)c1ccc2nncn2n1
CC(=O)c1ccccc1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 CC(=O)c1ccccc1[*:1] O=C(N[*:1])C1CCN(CC1)c1ccc2nncn2n1
Cc1cc2nc([C@H]3CCCN3C(=O)CCn3cnnn3)[nH]c2cc1C c1nnnn1C[*:1] Cc1cc2nc([nH]c2cc1C)[C@H]1CCCN1C(=O)C[*:1]
Cc1cc2nc([C@H]3CCCN3C(=O)CCn3cnnn3)[nH]c2cc1C c1nnnn1[*:1] Cc1cc2nc([nH]c2cc1C)[C@H]1CCCN1C(=O)CC[*:1]
Cc1cc2nc([C@H]3CCCN3C(=O)CCn3cnnn3)[nH]c2cc1C c1nnnn1CC[*:1] Cc1cc2nc([nH]c2cc1C)[C@H]1CCCN1C(=O)[*:1]
Cc1c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3O2)S(C)(=O)=O)c(=O)n(n1C)[*:1]
C[C@@H]1CCC[C@@H](NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[C@@H]1C Clc1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)[*:1])[C@@H]1C
C/C=C/CCNC(=O)Nc1ccc(C)s1 C/C=C/C[*:1] Cc1ccc(NC(=O)NC[*:1])s1
C/C=C/CCNC(=O)Nc1ccc(C)s1 CC=C[*:1] Cc1ccc(NC(=O)NCC[*:1])s1
C/C=C/CCNC(=O)Nc1ccc(C)s1 C/C=C/CC[*:1] Cc1ccc(NC(=O)N[*:1])s1
C[C@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)Cn2cnc3sccc3c2=O)[C@@H]1C c1cc2OCOc2cc1[*:1] C[C@H]1CCC[C@@H]([C@@H]1C)N(C[*:1])C(=O)Cn1cnc2sccc2c1=O
C[C@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)Cn2cnc3sccc3c2=O)[C@@H]1C O=c1c2ccsc2ncn1[*:1] C[C@H]1CCC[C@@H]([C@@H]1C)N(Cc1ccc2OCOc2c1)C(=O)C[*:1]
C[C@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)Cn2cnc3sccc3c2=O)[C@@H]1C c1cc2OCOc2cc1C[*:1] C[C@H]1CCC[C@@H]([C@@H]1C)N(C(=O)Cn1cnc2sccc2c1=O)[*:1]
CCN(C)C(=O)[C@@H]1CN(C(=O)c2ccco2)C[C@H]1c1cc(OC)ccc1OC c1coc(c1)[*:1] CCN(C)C(=O)[C@@H]1CN(C[C@H]1c1cc(ccc1OC)OC)C(=O)[*:1]
CCN(C)C(=O)[C@@H]1CN(C(=O)c2ccco2)C[C@H]1c1cc(OC)ccc1OC CCN(C)C(=O)[*:1] COc1ccc(OC)c(c1)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccco1
C[C@@H](NC(=O)COc1cccc2c1OC(C)(C)C2)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)COc1cccc2CC(C)(C)Oc21)[*:1]
C[C@@H](NC(=O)COc1cccc2c1OC(C)(C)C2)c1ccncc1 C[C@@H](c1ccncc1)[*:1] CC1(C)Cc2cccc(OCC(=O)N[*:1])c2O1
O=[N+]([O-])/C=C1\NCCCN1Cc1ccccn1 O=[N+]([O-])[*:1] C(=C1NCCCN1Cc1ccccn1)[*:1]
Cc1cccc(CNC(=O)C2CCN([C@H]3[NH+]=c4ccc(C)cc4=[NH+]3)CC2)c1 Cc1cccc(c1)[*:1] Cc1ccc2=[NH+][C@@H]([NH+]=c2c1)N1CCC(CC1)C(=O)NC[*:1]
Cc1cccc(CNC(=O)C2CCN([C@H]3[NH+]=c4ccc(C)cc4=[NH+]3)CC2)c1 Cc1cccc(c1)C[*:1] Cc1ccc2=[NH+][C@@H]([NH+]=c2c1)N1CCC(CC1)C(=O)N[*:1]
COC(=O)c1cncc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c1 C1CCC(CC1)[*:1] COC(=O)c1cncc(c1)C(=O)N1CCC[C@@H]1CC[*:1]
COC(=O)c1cncc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c1 COC(=O)[*:1] O=C(c1cncc(c1)[*:1])N1CCC[C@@H]1CCC1CCCCC1
COC(=O)c1cncc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c1 C1CCC(CC1)CC[*:1] COC(=O)c1cncc(c1)C(=O)N1CCC[C@H]1[*:1]
COC(=O)c1cncc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c1 C1CCC(CC1)C[*:1] COC(=O)c1cncc(c1)C(=O)N1CCC[C@@H]1C[*:1]
CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2c(C)cccc2Cl)nc1[O-] CC(=O)N[*:1] Cc1cc(C)c(c(c1)-c1nnc(nc1[O-])S[C@H](C)C(=O)Nc1c(C)cccc1Cl)[*:1]
CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2c(C)cccc2Cl)nc1[O-] Cc1cccc(Cl)c1NC(=O)[*:1] CC(=O)Nc1c(C)cc(C)cc1-c1nnc(nc1[O-])S[C@H](C)[*:1]
CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2c(C)cccc2Cl)nc1[O-] Cc1cccc(Cl)c1[*:1] CC(=O)Nc1c(C)cc(C)cc1-c1nnc(nc1[O-])S[C@H](C)C(=O)N[*:1]
CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCCOCCO)C1 OCCOCC[*:1] CC(=O)N1CCc2c(C1)nc(nc2N[*:1])-c1ccccn1
CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCCOCCO)C1 OCCOC[*:1] CC(=O)N1CCc2c(C1)nc(nc2NC[*:1])-c1ccccn1
CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCCOCCO)C1 OCCO[*:1] CC(=O)N1CCc2c(C1)nc(nc2NCC[*:1])-c1ccccn1
CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCCOCCO)C1 OCC[*:1] CC(=O)N1CCc2c(C1)nc(nc2NCCO[*:1])-c1ccccn1
CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCCOCCO)C1 c1ccc(nc1)[*:1] CC(=O)N1CCc2c(C1)nc(nc2NCCOCCO)[*:1]
CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCCOCCO)C1 OCCOCCN[*:1] CC(=O)N1CCc2c(C1)nc(nc2[*:1])-c1ccccn1
COC(=O)c1ccc([C@@H](C)Oc2ccccc2F)o1 COC(=O)[*:1] C[C@@H](Oc1ccccc1F)c1ccc(o1)[*:1]
S=c1[nH]cc(-c2ccc3c(c2)Cc2ccccc2-3)[nH]1 S=c1[nH]cc([nH]1)[*:1] c1ccc2c(c1)Cc1cc(ccc1-2)[*:1]
O=C(NCCc1ccccc1Cl)c1ccc2c(c1)nc1n2CCCC1 Clc1ccccc1C[*:1] O=C(NC[*:1])c1ccc2c(c1)nc1CCCCn12
O=C(NCCc1ccccc1Cl)c1ccc2c(c1)nc1n2CCCC1 Clc1ccccc1[*:1] O=C(NCC[*:1])c1ccc2c(c1)nc1CCCCn12
CCOC(=O)c1nsc2c(=O)[nH]cnc12 CCOC(=O)[*:1] O=c1[nH]cnc2c(nsc12)[*:1]
Cc1cc2c(S[C@@H](C)CO)ncnc2s1 C[C@@H](CO)S[*:1] Cc1cc2c(ncnc2s1)[*:1]
Cc1cc2c(S[C@@H](C)CO)ncnc2s1 C[C@@H](CO)[*:1] Cc1cc2c(ncnc2s1)S[*:1]
Cc1csc(C[C@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)n1 Cc1csc(n1)[*:1] CS(=O)(=O)N1CCC[C@H](C[C@@H]([NH3+])C[*:1])C1
O=c1[nH]c2ccc(-c3csc(NC[C@@H]4CCCO4)n3)cc2[nH]1 C1CO[C@@H](C1)C[*:1] O=c1[nH]c2ccc(cc2[nH]1)-c1csc(n1)N[*:1]
O=c1[nH]c2ccc(-c3csc(NC[C@@H]4CCCO4)n3)cc2[nH]1 C1CO[C@@H](C1)[*:1] O=c1[nH]c2ccc(cc2[nH]1)-c1csc(n1)NC[*:1]
O=c1[nH]c2ccc(-c3csc(NC[C@@H]4CCCO4)n3)cc2[nH]1 C1CO[C@@H](C1)CN[*:1] O=c1[nH]c2ccc(cc2[nH]1)-c1csc(n1)[*:1]
CCc1ccc(S(=O)(=O)NCCc2csc(-n3cccn3)n2)s1 c1cnn(c1)[*:1] CCc1ccc(s1)S(=O)(=O)NCCc1csc(n1)[*:1]
CCc1ccc(S(=O)(=O)NCCc2csc(-n3cccn3)n2)s1 CCc1ccc(s1)[*:1] O=S(=O)(NCCc1csc(n1)-n1cccn1)[*:1]
CS[C@@H]1CCCCN(C(=O)c2cccc(OCC(F)F)n2)C1 FC(F)CO[*:1] CS[C@@H]1CCCCN(C1)C(=O)c1cccc(n1)[*:1]
CS[C@@H]1CCCCN(C(=O)c2cccc(OCC(F)F)n2)C1 FC(F)C[*:1] CS[C@@H]1CCCCN(C1)C(=O)c1cccc(n1)O[*:1]
CS[C@@H]1CCCCN(C(=O)c2cccc(OCC(F)F)n2)C1 FC(F)[*:1] CS[C@@H]1CCCCN(C1)C(=O)c1cccc(n1)OC[*:1]
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4ccccn34)[C@H]2c2ccccc2F)nc1C Cc1nc2ccccn2c1[*:1] CC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccccc1F
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4ccccn34)[C@H]2c2ccccc2F)nc1C CC(=O)c1sc(nc1C)[*:1] Cc1nc2ccccn2c1C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccccc1F)[*:1]
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4ccccn34)[C@H]2c2ccccc2F)nc1C Fc1ccccc1[*:1] CC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2c(C)nc3ccccn23)[C@@H]1[*:1]
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4ccccn34)[C@H]2c2ccccc2F)nc1C CC(=O)[*:1] Cc1nc(sc1[*:1])N1C(=O)C([O-])=C(C(=O)c2c(C)nc3ccccn23)[C@H]1c1ccccc1F
O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cc(Cl)ccc1O Oc1ccc(Cl)cc1[*:1] O=C(CSc1nnc(o1)-c1ccc(F)cc1)N[*:1]
O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cc(Cl)ccc1O Fc1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])Nc1cc(Cl)ccc1O
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)C(C)(C)C CC(C)(C)[*:1] Cc1nc(sc1C(=O)NNC(=O)[*:1])-c1ccc(Cl)cc1
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)C(C)(C)C Clc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)NNC(=O)C(C)(C)C)[*:1]
CCOC(=O)C1=C(C)[C@@H](C(=O)Nc2ccccc2C)C(C)=N1 CCOC(=O)[*:1] CC1=NC(=C(C)[C@H]1C(=O)Nc1ccccc1C)[*:1]
CCOC(=O)C1=C(C)[C@@H](C(=O)Nc2ccccc2C)C(C)=N1 Cc1ccccc1[*:1] CCOC(=O)C1N=C(C)[C@H](C(=O)N[*:1])C=1C
C[NH+](Cc1ccccc1Oc1cccnc1)C1CCS(=O)(=O)CC1 c1cncc(c1)O[*:1] C[NH+](Cc1ccccc1[*:1])C1CCS(=O)(=O)CC1
C[NH+](Cc1ccccc1Oc1cccnc1)C1CCS(=O)(=O)CC1 c1cncc(c1)[*:1] C[NH+](Cc1ccccc1O[*:1])C1CCS(=O)(=O)CC1
COc1ccc(C)cc1[C@@H](C)NC(=O)N1CC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(C)cc1[C@@H](C)NC(=O)N1CC[C@H]1[*:1]
Cc1cccc(C(=O)OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1N Cc1cccc(c1N)[*:1] O=C(COC(=O)[*:1])Nc1cccc(c1)N1CCCC1=O
Cc1cccc(C(=O)OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1N O=C1CCCN1[*:1] Cc1cccc(C(=O)OCC(=O)Nc2cccc(c2)[*:1])c1N
COc1cc(C)c(S(=O)(=O)NCc2ccc(C)s2)cc1OC Cc1ccc(s1)[*:1] COc1cc(C)c(cc1OC)S(=O)(=O)NC[*:1]
COc1cc(C)c(S(=O)(=O)NCc2ccc(C)s2)cc1OC Cc1ccc(C[*:1])s1 COc1cc(C)c(cc1OC)S(=O)(=O)N[*:1]
Cc1cc(CN2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)on1 Cc1cc(on1)[*:1] Cn1c(cc(=O)n(C)c1=O)C[NH+]1CCN(CC1)C[*:1]
Cc1cc(CN2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)on1 Cc1cc(C[*:1])on1 Cn1c(cc(=O)n(C)c1=O)C[NH+]1CCN(CC1)[*:1]
CC[C@H](C(=O)N1CCC(NC(=O)c2cncc(C)c2)CC1)c1ccccc1 CC[C@H](c1ccccc1)[*:1] Cc1cncc(c1)C(=O)NC1CCN(CC1)C(=O)[*:1]
CC[C@H](C(=O)N1CCC(NC(=O)c2cncc(C)c2)CC1)c1ccccc1 Cc1cncc(c1)[*:1] CC[C@H](C(=O)N1CCC(CC1)NC(=O)[*:1])c1ccccc1
CC[C@H](C(=O)N1CCC(NC(=O)c2cncc(C)c2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](C(=O)N1CCC(CC1)NC(=O)c1cncc(C)c1)[*:1]
CCn1c(CC2CC[NH2+]CC2)nn(Cc2cccc(C)n2)c1=O Cc1cccc(n1)[*:1] CCn1c(CC2CC[NH2+]CC2)nn(C[*:1])c1=O
CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)nn1 CCS(=O)(=O)[*:1] Cc1cc(ccc1F)S(=O)(=O)Nc1ccc(cc1)-c1ccc(nn1)[*:1]
CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)nn1 Cc1cc(ccc1F)[*:1] CCS(=O)(=O)c1ccc(nn1)-c1ccc(cc1)NS(=O)(=O)[*:1]
Cc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)[nH]c2c1 O=[N+]([O-])[*:1] Cc1ccc2nc([nH]c2c1)SCC(=O)Nc1ccc(cc1Br)[*:1]
O=C(/C=C/C1CC1)NC1(c2cccc(F)c2)CCOCC1 C1CC1[*:1] O=C(C=C[*:1])NC1(CCOCC1)c1cccc(F)c1
O=C(/C=C/C1CC1)NC1(c2cccc(F)c2)CCOCC1 Fc1cccc(c1)[*:1] O=C(/C=C/C1CC1)NC1(CCOCC1)[*:1]
O=C(/C=C/C1CC1)NC1(c2cccc(F)c2)CCOCC1 C(=C[*:1])C1CC1 O=C(NC1(CCOCC1)c1cccc(F)c1)[*:1]
O=C1NC(=O)[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3Cl)C2)N1 Clc1ccccc1[*:1] O=C1NC(=O)[C@]2(CCN(C2)C(=O)[C@@H]2C[C@@H]2[*:1])N1
C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1nc2ccccc2s1 C=CCNC(=O)[*:1] C[C@H](S(=O)(=O)Cc1nc2ccccc2s1)[*:1]
C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1nc2ccccc2s1 C=CC[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1nc2ccccc2s1
Fc1cccc(/C=N\Nc2nc(-c3ccc(Br)cc3)cs2)c1 Fc1cccc(c1)[*:1] Brc1ccc(cc1)-c1csc(n1)NN=C[*:1]
Fc1cccc(/C=N\Nc2nc(-c3ccc(Br)cc3)cs2)c1 Brc1ccc(cc1)[*:1] Fc1cccc(/C=N\Nc2nc(cs2)[*:1])c1
CC[C@@H](C)c1ccc([C@H](NC(=O)[C@@H](C)NC(N)=O)C(C)C)cc1 CC[C@@H](C)[*:1] CC(C)[C@@H](NC(=O)[C@@H](C)NC(N)=O)c1ccc(cc1)[*:1]
CC[C@@H](C)c1ccc([C@H](NC(=O)[C@@H](C)NC(N)=O)C(C)C)cc1 C[C@@H](NC(N)=O)[*:1] CC[C@@H](C)c1ccc(cc1)[C@H](NC(=O)[*:1])C(C)C
CC[C@@H](C)c1ccc([C@H](NC(=O)[C@@H](C)NC(N)=O)C(C)C)cc1 CC(C)[*:1] CC[C@@H](C)c1ccc(cc1)[C@H](NC(=O)[C@@H](C)NC(N)=O)[*:1]
CC[C@@H](C)c1ccc([C@H](NC(=O)[C@@H](C)NC(N)=O)C(C)C)cc1 NC(=O)N[*:1] CC[C@@H](C)c1ccc(cc1)[C@H](NC(=O)[C@@H](C)[*:1])C(C)C
C[C@H](c1ccccc1F)N(C)c1cccc(F)c1C(=O)[O-] Fc1ccccc1[*:1] C[C@H](N(C)c1cccc(F)c1C(=O)[O-])[*:1]
C[C@H](c1ccccc1F)N(C)c1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] C[C@H](c1ccccc1F)N(C)c1cccc(F)c1[*:1]
CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(C)ccc3O)cc21 Cc1ccc(O)c(c1)[*:1] CC(=O)N1CCCc2ccc(cc21)S(=O)(=O)N[*:1]
CCOC(=O)[C@](C)(O)[C@H](C)c1ccc2ccccc2c1 CCOC(=O)[*:1] C[C@H](c1ccc2ccccc2c1)[C@](C)(O)[*:1]
COc1ccc(C)cc1C[S@](=O)[C@H](C)C(=O)Nc1c(F)cccc1F Fc1cccc(F)c1[*:1] COc1ccc(C)cc1C[S@](=O)[C@H](C)C(=O)N[*:1]
COc1ccc2nc(N3CC[NH+](CCNC(=O)c4ccccc4C)CC3)sc2c1 Cc1ccccc1[*:1] COc1ccc2nc(sc2c1)N1CC[NH+](CCNC(=O)[*:1])CC1
CC[C@H](NCCc1nc(C(C)C)no1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NCCc1nc(no1)C(C)C)[*:1]
CC[C@H](NCCc1nc(C(C)C)no1)c1ccc(Cl)cc1 CC(C)[*:1] CC[C@H](NCCc1nc(no1)[*:1])c1ccc(Cl)cc1
CC(C)Oc1ccc(C(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)cc1 CC(C)O[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1ccc(cc1)[*:1])C1CC1
CC(C)Oc1ccc(C(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)cc1 O=C(N[*:1])C1CC1 CC(C)Oc1ccc(cc1)C(=O)N1CCc2nc(sc2C1)[*:1]
CC(C)Oc1ccc(C(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)cc1 CC(C)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1ccc(cc1)O[*:1])C1CC1
CC(C)Oc1ccc(C(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)cc1 C1CC1[*:1] CC(C)Oc1ccc(cc1)C(=O)N1CCc2nc(NC(=O)[*:1])sc2C1
CC1CCC(NC(=O)c2ccsc2)CC1 c1cc(cs1)[*:1] CC1CCC(CC1)NC(=O)[*:1]
C=CC[C@H]1C=CC[C@H](CC=C)N1C(=O)C(F)(F)F C=CC[*:1] C=CC[C@H]1CC=C[C@@H](N1C(=O)C(F)(F)F)[*:1]
C=CC[C@H]1C=CC[C@H](CC=C)N1C(=O)C(F)(F)F FC(F)(F)[*:1] C=CC[C@H]1C=CC[C@H](CC=C)N1C(=O)[*:1]
C=CC[C@H]1C=CC[C@H](CC=C)N1C(=O)C(F)(F)F C=CC[*:1] C=CC[C@H]1C=CC[C@H](N1C(=O)C(F)(F)F)[*:1]
Cc1ccsc1[C@@H]1Cc2c(C(=O)NCC[NH+]3CCOCC3)c(=O)cc(C)n2-c2ccccc2S1 Cc1ccsc1[*:1] Cc1cc(=O)c(C(=O)NCC[NH+]2CCOCC2)c2C[C@H](Sc3ccccc3-n12)[*:1]
CN(C)C(=O)c1ccn(-c2nc(Cl)ncc2F)n1 CN(C)C(=O)[*:1] Fc1cnc(Cl)nc1-n1ccc(n1)[*:1]
O=C(N[C@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@H]12)C1CCCC1 O=C(N[*:1])C1CCCC1 O=C1Nc2ccc(Br)cc2C(=O)N2CC[C@@H]([C@@H]12)[*:1]
O=C(N[C@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@H]12)C1CCCC1 C1CCC(C1)[*:1] O=C1Nc2ccc(Br)cc2C(=O)N2CC[C@H](NC(=O)[*:1])[C@@H]12
C=CCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)c(C)s1 C=CCO[*:1] Cc1sc(nc1-c1ccccc1)N/N=C/c1ccccc1[*:1]
C=CCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)c(C)s1 c1ccc(cc1)[*:1] C=CCOc1ccccc1/C=N/Nc1nc(c(C)s1)[*:1]
C=CCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)c(C)s1 C=CC[*:1] Cc1sc(nc1-c1ccccc1)N/N=C/c1ccccc1O[*:1]
O=C(/C=C/c1ccccc1)Nc1cnn(CC(F)(F)F)c1 FC(F)(F)[*:1] O=C(/C=C/c1ccccc1)Nc1cnn(c1)C[*:1]
O=C(/C=C/c1ccccc1)Nc1cnn(CC(F)(F)F)c1 c1ccc(cc1)[*:1] O=C(C=C[*:1])Nc1cnn(c1)CC(F)(F)F
O=C(/C=C/c1ccccc1)Nc1cnn(CC(F)(F)F)c1 FC(F)(F)C[*:1] O=C(/C=C/c1ccccc1)Nc1cnn(c1)[*:1]
Cc1cc([C@@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)c(C)s1 Cc1cc(c(C)s1)[*:1] C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)[*:1]
COc1cccc(C(=O)Nc2cc(C(N)=O)ccc2C)c1F NC(=O)[*:1] COc1cccc(C(=O)Nc2cc(ccc2C)[*:1])c1F
CC(C)(C)n1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 CC(C)(C)[*:1] O=[N+]([O-])c1ccc(nc1)N[C@H]1CCN(Cc2cnn(c2)[*:1])C1
CC(C)(C)n1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 O=[N+]([O-])[*:1] CC(C)(C)n1cc(cn1)CN1CC[C@@H](C1)Nc1ccc(cn1)[*:1]
CNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C[*:1])c1ccc(Br)cc1
CNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)[*:1]
CNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 CNC(=O)C[*:1] Cc1ccc(cc1)S(=O)(=O)N(c1ccc(Br)cc1)[*:1]
CNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 Brc1ccc(cc1)[*:1] CNC(=O)CN(S(=O)(=O)c1ccc(C)cc1)[*:1]
C#CCN1CCC[C@H](NC(=O)OCC)C1 C#CC[*:1] CCOC(=O)N[C@H]1CCCN(C1)[*:1]
CSc1ccc(CNC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)cc1 CSc1ccc(cc1)C[*:1] Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(c1)C(=O)N[*:1]
CSc1ccc(CNC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)cc1 CSc1ccc(cc1)[*:1] Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(c1)C(=O)NC[*:1]
O=C(CC1(O)CCCC1)NCCCC(=O)N1Cc2ccccc2C1 OC1(CCCC1)[*:1] O=C(C[*:1])NCCCC(=O)N1Cc2ccccc2C1
O=C(CC1(O)CCCC1)NCCCC(=O)N1Cc2ccccc2C1 OC1(CCCC1)C[*:1] O=C(CCCNC(=O)[*:1])N1Cc2ccccc2C1
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NC[C@@H]1CC=CCC1 c1ncn(n1)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)NC[C@@H]1CC=CCC1
CC(C)(CNC(=O)NNC(=O)Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)NNC(=O)Nc1ccccc1)[*:1]
CC(C)(CNC(=O)NNC(=O)Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)NNC(=O)N[*:1])c1ccccc1
Cc1ccc([C@@H]2CCCCCN2C(=O)C2C[C@@H](C)O[C@H](C)C2)o1 Cc1ccc(o1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)N1CCCCC[C@H]1[*:1]
CC[C@@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cccnc1Br CC[C@@H](C)[*:1] O=C(NC[C@H](O)[*:1])C(=O)Nc1cccnc1Br
C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(C)=O C=CCN(C[*:1])C(C)=O O=C(N1CCc2sccc2[C@H]1COc1cccc(F)c1)[*:1]
C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(C)=O C=CCN(C(C)=O)[*:1] O=C(C[*:1])N1CCc2sccc2[C@H]1COc1cccc(F)c1
C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(C)=O C=CC[*:1] CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)[*:1]
C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(C)=O Fc1cccc(c1)O[*:1] C=CCN(CC(=O)N1CCc2sccc2[C@H]1C[*:1])C(C)=O
C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(C)=O Fc1cccc(c1)[*:1] C=CCN(CC(=O)N1CCc2sccc2[C@H]1CO[*:1])C(C)=O
C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(C)=O Fc1cccc(c1)OC[*:1] C=CCN(CC(=O)N1CCc2sccc2[C@@H]1[*:1])C(C)=O
C[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCOC[C@@H]1C C[C@H]1COCCN1[*:1] C[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
C[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCOC[C@@H]1C Fc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)[*:1])N1CCOC[C@@H]1C
C[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCOC[C@@H]1C FC(F)(F)C[*:1] C[C@@H](CNC(=O)N[C@@H](c1ccc(F)cc1)[*:1])N1CCOC[C@@H]1C
C[C@@H](CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCOC[C@@H]1C FC(F)(F)[*:1] C[C@@H](CNC(=O)N[C@@H](C[*:1])c1ccc(F)cc1)N1CCOC[C@@H]1C
CCC(CC)CNC(=O)C(=O)Nc1ccc(Cl)nc1 CCC(CC)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(Cl)nc1
CCC(CC)CNC(=O)C(=O)Nc1ccc(Cl)nc1 CCC(CC)C[*:1] O=C(Nc1ccc(Cl)nc1)C(=O)N[*:1]
C[C@@H](C1CC1)N(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C1CC1 Fc1ccc(c(F)c1)[*:1] C[C@@H](C1CC1)N(C(=O)C1CCN(CC1)C(=O)[*:1])C1CC1
C[C@@H](C1CC1)N(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1F)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1F)[*:1]
CCC(CC)[C@H](O)[C@H]1CCO[C@]2(CCOC2)C1 CCC(CC)[*:1] O[C@H]([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
Cc1cc(C)n(Cc2nnc(C)n2C2CC2)n1 C1CC1[*:1] Cc1cc(C)n(Cc2nnc(C)n2[*:1])n1
CC(C)Oc1cc(-n2c(=O)c3c(n(C(C)C)c2=O)CCCC3)c(F)cc1Cl CC(C)[*:1] CC(C)n1c2CCCCc2c(=O)n(-c2cc(O[*:1])c(Cl)cc2F)c1=O
CC(C)Oc1cc(-n2c(=O)c3c(n(C(C)C)c2=O)CCCC3)c(F)cc1Cl CC(C)O[*:1] CC(C)n1c2CCCCc2c(=O)n(-c2cc(c(Cl)cc2F)[*:1])c1=O
CC(C)Oc1cc(-n2c(=O)c3c(n(C(C)C)c2=O)CCCC3)c(F)cc1Cl CC(C)[*:1] CC(C)Oc1cc(c(F)cc1Cl)-n1c(=O)c2CCCCc2n(c1=O)[*:1]
Nc1cc([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)nc2cc(-c3ccco3)nn12 C1CO[C@@H](C1)[*:1] Nc1cc(nc2cc(nn12)-c1ccco1)[C@H]1CCCN(C1)C(=O)[*:1]
Nc1cc([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)nc2cc(-c3ccco3)nn12 c1coc(c1)[*:1] Nc1cc(nc2cc(nn12)[*:1])[C@H]1CCCN(C1)C(=O)[C@@H]1CCCO1
CC(=O)Nc1nc2ccc(NC(=O)NCCC(C)C)cc2s1 CC(=O)N[*:1] CC(C)CCNC(=O)Nc1ccc2nc(sc2c1)[*:1]
CC(=O)Nc1nc2ccc(NC(=O)NCCC(C)C)cc2s1 CC(C)CC[*:1] CC(=O)Nc1nc2ccc(cc2s1)NC(=O)N[*:1]
CC(=O)Nc1nc2ccc(NC(=O)NCCC(C)C)cc2s1 CC(C)[*:1] CC(=O)Nc1nc2ccc(cc2s1)NC(=O)NCC[*:1]
CC(=O)Nc1nc2ccc(NC(=O)NCCC(C)C)cc2s1 CC(C)C[*:1] CC(=O)Nc1nc2ccc(cc2s1)NC(=O)NC[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)N(C)[C@H](C)Cc1cccs1 C[C@H](Cc1cccs1)[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N(C)[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N(C)[C@H](C)C[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N(C)[C@H](C)[*:1]
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 c1ccc(nc1)[*:1] Cc1ccc2NC(=O)[C@@]3(c2c1)[C@@H](C(=O)[*:1])[C@@H](c1ccc(cc1)[N+](=O)[O-])[C@H]1CSCN13
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 O=[N+]([O-])[*:1] Cc1ccc2NC(=O)[C@@]3(c2c1)[C@@H](C(=O)c1ccccn1)[C@@H](c1ccc(cc1)[*:1])[C@H]1CSCN13
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc2NC(=O)[C@@]3(c2c1)[C@@H](C(=O)c1ccccn1)[C@@H]([C@H]1CSCN13)[*:1]
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 O=C(c1ccccn1)[*:1] Cc1ccc2NC(=O)[C@@]3(c2c1)[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])[C@H]1CSCN13)[*:1]
C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)[C@H]1CCCO1 CS(=O)(=O)[*:1] C[C@@H](Nc1ccc(cc1[*:1])S(C)(=O)=O)[C@H]1CCCO1
C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](Nc1ccc(cc1S(C)(=O)=O)S(C)(=O)=O)[*:1]
C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)[C@H]1CCCO1 CS(=O)(=O)[*:1] C[C@@H](Nc1ccc(cc1S(C)(=O)=O)[*:1])[C@H]1CCCO1
Fc1ccccc1N1CCN(Cn2c(COc3ccccc3)nc3ccccc32)CC1 Fc1ccccc1[*:1] c1ccc(cc1)OCc1nc2ccccc2n1CN1CCN(CC1)[*:1]
Fc1ccccc1N1CCN(Cn2c(COc3ccccc3)nc3ccccc32)CC1 c1ccc(cc1)[*:1] Fc1ccccc1N1CCN(CC1)Cn1c(CO[*:1])nc2ccccc21
Fc1ccccc1N1CCN(Cn2c(COc3ccccc3)nc3ccccc32)CC1 c1ccc(cc1)OC[*:1] Fc1ccccc1N1CCN(CC1)Cn1c(nc2ccccc21)[*:1]
Fc1ccccc1N1CCN(Cn2c(COc3ccccc3)nc3ccccc32)CC1 c1ccc(cc1)O[*:1] Fc1ccccc1N1CCN(CC1)Cn1c(C[*:1])nc2ccccc21
O=C(Cc1ccccc1)Nn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O O=C(CS[*:1])c1ccccc1 O=C(Cc1ccccc1)Nn1c(nc2ccccc2c1=O)[*:1]
O=C(Cc1ccccc1)Nn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O O=C(c1ccccc1)[*:1] O=C(Cc1ccccc1)Nn1c(nc2ccccc2c1=O)SC[*:1]
O=C(Cc1ccccc1)Nn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O O=C(C[*:1])c1ccccc1 O=C(Cc1ccccc1)Nn1c(nc2ccccc2c1=O)S[*:1]
O=C(Cc1ccccc1)Nn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O c1ccc(cc1)[*:1] O=C(Cc1ccccc1)Nn1c(nc2ccccc2c1=O)SCC(=O)[*:1]
O=C(Cc1ccccc1)Nn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O c1ccc(cc1)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1NC(=O)[*:1])c1ccccc1
O=C(Cc1ccccc1)Nn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O c1ccc(cc1)[*:1] O=C(C[*:1])Nn1c(nc2ccccc2c1=O)SCC(=O)c1ccccc1
CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1cnsc1 c1ccc(cc1)[*:1] CC[C@H](Cn1nnn(c1=O)[*:1])NC(=O)c1cnsc1
CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1cnsc1 O=C(N[*:1])c1cnsc1 CC[C@H](Cn1nnn(-c2ccccc2)c1=O)[*:1]
CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)c1cnsc1 c1nscc1[*:1] CC[C@H](Cn1nnn(-c2ccccc2)c1=O)NC(=O)[*:1]
O=C(Nc1ccccc1)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Nc1ccccc1)[C@H]1C[C@@H](O)CN1S(=O)(=O)[*:1]
O=C(Nc1ccccc1)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(cc1)[*:1]
O=C(Nc1ccccc1)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1ccccc1)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 O=C(Nc1ccccc1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N1C[C@H](O)C[C@@H]1[*:1]
COc1cc(Cl)ccc1C(=O)NCc1noc(COc2ccccc2)n1 c1ccc(cc1)[*:1] COc1cc(Cl)ccc1C(=O)NCc1noc(CO[*:1])n1
COc1cc(Cl)ccc1C(=O)NCc1noc(COc2ccccc2)n1 c1ccc(cc1)OC[*:1] COc1cc(Cl)ccc1C(=O)NCc1noc(n1)[*:1]
COc1cc(Cl)ccc1C(=O)NCc1noc(COc2ccccc2)n1 c1ccc(cc1)O[*:1] COc1cc(Cl)ccc1C(=O)NCc1noc(C[*:1])n1
CC(C)Oc1cccc(CNc2cccc(OC(C)C)c2)c1 CC(C)[*:1] CC(C)Oc1cccc(c1)NCc1cccc(c1)O[*:1]
CC(C)Oc1cccc(CNc2cccc(OC(C)C)c2)c1 CC(C)[*:1] CC(C)Oc1cccc(c1)CNc1cccc(c1)O[*:1]
CC(C)Oc1cccc(CNc2cccc(OC(C)C)c2)c1 CC(C)O[*:1] CC(C)Oc1cccc(c1)NCc1cccc(c1)[*:1]
CC(C)Oc1cccc(CNc2cccc(OC(C)C)c2)c1 CC(C)O[*:1] CC(C)Oc1cccc(c1)CNc1cccc(c1)[*:1]
C#CCNC(=O)c1cc([N+](=O)[O-])ccc1I C#CC[*:1] O=C(N[*:1])c1cc(ccc1I)[N+](=O)[O-]
C#CCNC(=O)c1cc([N+](=O)[O-])ccc1I O=[N+]([O-])[*:1] C#CCNC(=O)c1cc(ccc1I)[*:1]
Cc1ccncc1NC(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 Cc1ccncc1[*:1] C[C@H](c1ccc(cc1)S(N)(=O)=O)N(C)C(=O)N[*:1]
Cc1ccncc1NC(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cc1ccncc1NC(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c1 CC(=O)N[*:1] CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cccc(c1)[*:1]
Cc1nc(-n2[nH]c(-c3ccccc3)cc2=O)[nH]c(=O)c1Cc1ccc(F)cc1 c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1Cc1ccc(F)cc1)-n1[nH]c(cc1=O)[*:1]
Cc1nc(-n2[nH]c(-c3ccccc3)cc2=O)[nH]c(=O)c1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] Cc1nc([nH]c(=O)c1[*:1])-n1[nH]c(cc1=O)-c1ccccc1
Cc1nc(-n2[nH]c(-c3ccccc3)cc2=O)[nH]c(=O)c1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1C[*:1])-n1[nH]c(cc1=O)-c1ccccc1
COc1ccc(C(=O)[O-])cc1CN1CC(=O)N(C)CC1=O O=C([O-])[*:1] COc1ccc(cc1CN1CC(=O)N(C)CC1=O)[*:1]
CCOc1cccc2cc(C(=O)N(Cc3ccccn3)c3nc4cc(OC)ccc4s3)oc12 c1ccc(nc1)[*:1] CCOc1cccc2cc(oc12)C(=O)N(C[*:1])c1nc2cc(ccc2s1)OC
CCOc1cccc2cc(C(=O)N(Cc3ccccn3)c3nc4cc(OC)ccc4s3)oc12 c1ccc(C[*:1])nc1 CCOc1cccc2cc(oc12)C(=O)N(c1nc2cc(ccc2s1)OC)[*:1]
CCOc1cccc2cc(C(=O)N(Cc3ccccn3)c3nc4cc(OC)ccc4s3)oc12 COc1ccc2sc(nc2c1)[*:1] CCOc1cccc2cc(oc12)C(=O)N(Cc1ccccn1)[*:1]
CCOc1cccc2cc(C(=O)N(Cc3ccccn3)c3nc4cc(OC)ccc4s3)oc12 CCO[*:1] COc1ccc2sc(nc2c1)N(Cc1ccccn1)C(=O)c1cc2cccc(c2o1)[*:1]
C[C@H](OC(=O)c1ccn(C)c(=O)c1)c1nccs1 c1csc(n1)[*:1] C[C@H](OC(=O)c1ccn(C)c(=O)c1)[*:1]
CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(F)c1 CNC(=O)[*:1] O=C(c1cccc(F)c1)N1CCCC[C@@H]1[*:1]
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)COC(=O)C1CC1)CC2 O=C(O[*:1])C1CC1 COc1cc2CCN(C(=O)C[*:1])[C@H](c3ccccc3)c2cc1OC
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)COC(=O)C1CC1)CC2 O=C(OC[*:1])C1CC1 COc1cc2CCN(C(=O)[*:1])[C@H](c3ccccc3)c2cc1OC
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)COC(=O)C1CC1)CC2 C1CC1[*:1] COc1cc2CCN(C(=O)COC(=O)[*:1])[C@H](c3ccccc3)c2cc1OC
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)COC(=O)C1CC1)CC2 c1ccc(cc1)[*:1] COc1cc2CCN(C(=O)COC(=O)C3CC3)[C@H](c2cc1OC)[*:1]
CCOC(=O)C(=O)Nc1cc(C)nn1-c1nc([O-])c2c(n1)CCC2 CCOC(=O)C(=O)N[*:1] Cc1cc(n(n1)-c1nc([O-])c2CCCc2n1)[*:1]
CCC(=O)N1CC[C@@H](C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)C1 CC(C)(C)[*:1] CCC(=O)N1CC[C@H](C1)C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
C[C@@H]1CCC[C@@H](NC(=O)CCCc2nnc(-c3ccccc3)o2)[C@@H]1C c1ccc(cc1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)CCCc2nnc(o2)[*:1])[C@@H]1C
CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2F)c2cccnc21 CC(C)[*:1] O=S(=O)([N-]c1ccccc1F)c1cn(c2ncccc12)[*:1]
CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2F)c2cccnc21 Fc1ccccc1[*:1] CC(C)n1cc(c2cccnc21)S(=O)(=O)[N-][*:1]
O=[N+]([O-])c1ccc(CSc2n[nH]c(N/N=C/c3cccnc3)n2)cc1 O=[N+]([O-])[*:1] C(=N/Nc1nc(n[nH]1)SCc1ccc(cc1)[*:1])\c1cccnc1
O=[N+]([O-])c1ccc(CSc2n[nH]c(N/N=C/c3cccnc3)n2)cc1 c1cncc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)CSc1n[nH]c(n1)NN=C[*:1]
Cc1cnn(CC(=O)N(CCC(N)=O)Cc2ccccc2)c1 NC(=O)C[*:1] Cc1cnn(c1)CC(=O)N(Cc1ccccc1)C[*:1]
Cc1cnn(CC(=O)N(CCC(N)=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1cnn(c1)CC(=O)N(CCC(N)=O)[*:1]
Cc1cnn(CC(=O)N(CCC(N)=O)Cc2ccccc2)c1 NC(=O)CC[*:1] Cc1cnn(c1)CC(=O)N(Cc1ccccc1)[*:1]
Cc1cnn(CC(=O)N(CCC(N)=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cnn(c1)CC(=O)N(CCC(N)=O)C[*:1]
Cc1cnn(CC(=O)N(CCC(N)=O)Cc2ccccc2)c1 Cc1cnn(c1)[*:1] NC(=O)CCN(Cc1ccccc1)C(=O)C[*:1]
Cc1cnn(CC(=O)N(CCC(N)=O)Cc2ccccc2)c1 Cc1cnn(c1)C[*:1] NC(=O)CCN(Cc1ccccc1)C(=O)[*:1]
Cc1cnn(CC(=O)N(CCC(N)=O)Cc2ccccc2)c1 NC(=O)[*:1] Cc1cnn(c1)CC(=O)N(CC[*:1])Cc1ccccc1
C[C@H](Oc1ccccc1)C(=O)N(C)[C@H]1CCC[C@@H]1S(C)(=O)=O c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N(C)[C@H]1CCC[C@@H]1S(C)(=O)=O
C[C@H](Oc1ccccc1)C(=O)N(C)[C@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] C[C@H](Oc1ccccc1)C(=O)N(C)[C@H]1CCC[C@H]1[*:1]
C[C@H](Oc1ccccc1)C(=O)N(C)[C@H]1CCC[C@@H]1S(C)(=O)=O c1ccc(cc1)O[*:1] C[C@H](C(=O)N(C)[C@H]1CCC[C@@H]1S(C)(=O)=O)[*:1]
CC(C)C[NH+]1CCC(NC(=O)c2nc(C3CC3)n3ccccc23)CC1 CC(C)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1nc(C2CC2)n2ccccc12
CC(C)C[NH+]1CCC(NC(=O)c2nc(C3CC3)n3ccccc23)CC1 CC(C)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1nc(C2CC2)n2ccccc12
CC(C)C[NH+]1CCC(NC(=O)c2nc(C3CC3)n3ccccc23)CC1 C1CC1[*:1] CC(C)C[NH+]1CCC(CC1)NC(=O)c1nc(n2ccccc12)[*:1]
Cn1cc(-c2cccc(C[NH+]3CCc4nn(C)c(=O)cc4C3)c2)cn1 Cn1cc(cn1)[*:1] Cn1nc2CC[NH+](Cc3cccc(c3)[*:1])Cc2cc1=O
CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cc(C)on1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cc(C)on1)[*:1]
CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cc(C)on1)c1ccc(C)c(F)c1 Cc1cc(no1)[*:1] CC[C@@H]([NH2+][C@@H](C)CC(=O)N[*:1])c1ccc(C)c(F)c1
CSCc1cc(F)ccc1CNC(=O)C(=O)Nc1cc(F)ccc1C CSC[*:1] Cc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(F)cc1[*:1]
CSCc1cc(F)ccc1CNC(=O)C(=O)Nc1cc(F)ccc1C Cc1ccc(F)cc1[*:1] CSCc1cc(F)ccc1CNC(=O)C(=O)N[*:1]
Cc1cc(C)c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c(=O)[nH]1 CC(C)C[*:1] Cc1cc(C)c(C(=O)NC[C@@H]([NH+](C)C)[*:1])c(=O)[nH]1
Cc1cc(C)c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c(=O)[nH]1 CC(C)[*:1] Cc1cc(C)c(C(=O)NC[C@@H](C[*:1])[NH+](C)C)c(=O)[nH]1
Cc1nc(C)c(C[S@](=O)Cc2csc(-c3ccsc3)n2)s1 Cc1nc(C)c(s1)[*:1] O=[S@](Cc1csc(n1)-c1ccsc1)C[*:1]
Cc1nc(C)c(C[S@](=O)Cc2csc(-c3ccsc3)n2)s1 c1cc(cs1)[*:1] Cc1nc(C)c(C[S@](=O)Cc2csc(n2)[*:1])s1
Cc1cc([C@@H](C[C@@H](C)C(C)(C)C)[NH2+]C(C)C)c(F)cc1F CC(C)[*:1] Cc1cc(c(F)cc1F)[C@@H](C[C@@H](C)C(C)(C)C)[NH2+][*:1]
Cc1cc([C@@H](C[C@@H](C)C(C)(C)C)[NH2+]C(C)C)c(F)cc1F CC(C)(C)[*:1] Cc1cc(c(F)cc1F)[C@@H](C[C@@H](C)[*:1])[NH2+]C(C)C
Cc1cc([C@@H](C[C@@H](C)C(C)(C)C)[NH2+]C(C)C)c(F)cc1F C[C@H](C[*:1])C(C)(C)C Cc1cc(c(F)cc1F)[C@@H]([NH2+]C(C)C)[*:1]
Cc1cc([C@@H](C[C@@H](C)C(C)(C)C)[NH2+]C(C)C)c(F)cc1F C[C@@H](C(C)(C)C)[*:1] Cc1cc(c(F)cc1F)[C@@H](C[*:1])[NH2+]C(C)C
CCCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1cccnc1 CCC[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2cccnc2)n1[*:1]
CCCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1cccnc1 c1cncc(c1)[*:1] CCCn1c(nnc1[*:1])SCC(=O)N1[C@H](C)CCC[C@H]1C
CCSc1ccc(Cl)cc1C(=O)NCCC1CC[NH+](CC)CC1 CCS[*:1] CC[NH+]1CCC(CCNC(=O)c2cc(Cl)ccc2[*:1])CC1
NC(=O)NC[C@H]1CCCCN1C(=O)c1cc(F)c(F)c(F)c1 NC(=O)N[*:1] O=C(c1cc(F)c(F)c(F)c1)N1CCCC[C@@H]1C[*:1]
NC(=O)NC[C@H]1CCCCN1C(=O)c1cc(F)c(F)c(F)c1 NC(=O)NC[*:1] O=C(c1cc(F)c(F)c(F)c1)N1CCCC[C@@H]1[*:1]
Cc1ccc([C@H](C)NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])[C@H](C)NC(=O)N[C@H]1CC(=O)N(C1)C1CC1
Cc1ccc([C@H](C)NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] C1CC1[*:1] Cc1ccc(cc1[N+](=O)[O-])[C@H](C)NC(=O)N[C@H]1CC(=O)N(C1)[*:1]
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H](C)Oc1ccccc1F Fc1ccccc1[*:1] CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H](C)O[*:1]
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H](C)Oc1ccccc1F Fc1ccccc1O[*:1] CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H](C)[*:1]
COc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1OCc1ccccc1Cl Clc1ccccc1C[*:1] COc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1O[*:1]
COc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1OCc1ccccc1Cl Clc1ccccc1[*:1] COc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1OC[*:1]
COc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1OCc1ccccc1Cl Clc1ccccc1CO[*:1] COc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1[*:1]
C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc2ccccc2n1 Fc1ccc(cc1)[*:1] C[C@H]([NH2+]CCCNC(=O)[*:1])c1ccc2ccccc2n1
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cnn(C(C)C)c1 CC[C@@H](C)[*:1] CC(C)n1cc(cn1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cnn(C(C)C)c1 CC(C)[*:1] CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cnn(c1)[*:1]
CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cnn(C(C)C)c1 CC(C)n1cc(cn1)[*:1] CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[*:1]
C[C@@H]1CN(C(=O)CCc2cc(Cl)cs2)C(C)(C)CO1 Clc1csc(c1)[*:1] C[C@@H]1CN(C(=O)CC[*:1])C(C)(C)CO1
CNC(=O)c1ccccc1NC(=O)Cc1c(C)nc2c(c1C)c(=O)[nH]n2C CNC(=O)[*:1] Cc1nc2c(c(C)c1CC(=O)Nc1ccccc1[*:1])c(=O)[nH]n2C
NC(=O)[C@]1(CCCc2ccccn2)CCC[NH2+]1 NC(=O)[*:1] c1ccc(CCC[C@@]2(CCC[NH2+]2)[*:1])nc1
Cn1cc(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cn1 Clc1cccc(c1)[*:1] Cn1cc(cn1)NC(=O)N[C@@H]1CCN(C1)[*:1]
Cn1cc(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cn1 Cn1cc(cn1)[*:1] O=C(N[C@@H]1CCN(C1)c1cccc(Cl)c1)N[*:1]
COc1ccc(NC(=O)C(=O)Nc2ccccc2OC(F)F)cc1 FC(F)[*:1] COc1ccc(cc1)NC(=O)C(=O)Nc1ccccc1O[*:1]
COc1ccc(NC(=O)C(=O)Nc2ccccc2OC(F)F)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1OC(F)F)C(=O)N[*:1]
COc1ccc(NC(=O)C(=O)Nc2ccccc2OC(F)F)cc1 FC(F)O[*:1] COc1ccc(cc1)NC(=O)C(=O)Nc1ccccc1[*:1]
Cc1cccc(C[NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCO3)cc2)c1 C1CO[C@@H](C1)[*:1] Cc1cccc(c1)C[NH2+][C@@H](C)c1ccc(cc1)OC[*:1]
Cc1cccc(C[NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCO3)cc2)c1 C1CO[C@@H](C1)C[*:1] Cc1cccc(c1)C[NH2+][C@@H](C)c1ccc(cc1)O[*:1]
Cc1cccc(C[NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCO3)cc2)c1 Cc1cccc(c1)C[*:1] C[C@H]([NH2+][*:1])c1ccc(cc1)OC[C@@H]1CCCO1
Cc1cccc(C[NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCO3)cc2)c1 Cc1cccc(c1)[*:1] C[C@H]([NH2+]C[*:1])c1ccc(cc1)OC[C@@H]1CCCO1
Cc1cccc(C[NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCO3)cc2)c1 C1CO[C@@H](C1)CO[*:1] Cc1cccc(c1)C[NH2+][C@@H](C)c1ccc(cc1)[*:1]
COc1cccc([C@@H](CNC(=O)c2c(C)[nH]c3ccccc23)[NH+]2CCCC2)c1 COc1cccc(c1)[*:1] Cc1[nH]c2ccccc2c1C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
CC[C@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)c1cccc(c1)[*:1]
CCOc1c(Br)cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])C(=O)N1C[C@H](C)C[C@@H](C)C1
CC(C)[C@H](C)NC(=O)N1CCN(c2ccc(F)cc2)CC1 CC(C)[C@H](C)[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(F)cc1
CC(C)[C@H](C)NC(=O)N1CCN(c2ccc(F)cc2)CC1 CC(C)[*:1] C[C@H](NC(=O)N1CCN(CC1)c1ccc(F)cc1)[*:1]
CC(C)[C@H](C)NC(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(C)[C@H](C)NC(=O)N1CCN(CC1)[*:1]
CCn1cc(C[NH+]2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)cn1 CCn1cc(cn1)[*:1] COc1cccc(c1)-c1cc(CC2(O)CC[NH+](CC2)C[*:1])on1
CCn1cc(C[NH+]2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)cn1 COc1cccc(c1)[*:1] CCn1cc(cn1)C[NH+]1CCC(O)(CC1)Cc1cc(no1)[*:1]
CCn1cc(C[NH+]2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)cn1 CCn1cc(cn1)C[*:1] COc1cccc(c1)-c1cc(CC2(O)CC[NH+](CC2)[*:1])on1
CNS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 Cc1cccc(c1)O[*:1] CNS(=O)(=O)c1ccc(cc1)NC(=O)[C@H](C)[*:1]
CNS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CNS(=O)(=O)c1ccc(cc1)NC(=O)[C@H](C)O[*:1]
CNS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 CNS(=O)(=O)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)CCCCl)CC3)[nH+]c2)no1 Cc1nc(no1)[*:1] O=C(CCCCl)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)CCCCl)CC3)[nH+]c2)no1 ClCCC[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
Cc1nc(-c2ccc(N3CCN(C(=O)CCCCl)CC3)[nH+]c2)no1 ClCC[*:1] Cc1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)C[*:1]
O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1ccoc1 FC(F)(F)[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccccc1[*:1])c1ccoc1
O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1ccoc1 c1cc(co1)[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[*:1]
COc1cccc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)c1 Fc1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)N1CCC[C@](C)(C1)C(=O)N[*:1]
COc1cccc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)c1 COc1cccc(c1)[*:1] C[C@]1(CCCN(C1)C(=O)N[*:1])C(=O)NCc1ccc(F)cc1
COc1cccc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)N1CCC[C@](C)(C1)C(=O)NC[*:1]
N#Cc1nccnc1N(CC(=O)[O-])CC(F)(F)F FC(F)(F)C[*:1] N#Cc1nccnc1N(CC(=O)[O-])[*:1]
N#Cc1nccnc1N(CC(=O)[O-])CC(F)(F)F O=C([O-])[*:1] N#Cc1nccnc1N(CC(F)(F)F)C[*:1]
N#Cc1nccnc1N(CC(=O)[O-])CC(F)(F)F FC(F)(F)[*:1] N#Cc1nccnc1N(CC(=O)[O-])C[*:1]
N#Cc1nccnc1N(CC(=O)[O-])CC(F)(F)F O=C([O-])C[*:1] N#Cc1nccnc1N(CC(F)(F)F)[*:1]
Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)c12 c1cncc(c1)C[*:1] Cc1nn(C)c2nc(cc(C(=O)N(C[C@@H]3CCCO3)[*:1])c12)-c1ccco1
Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)c12 c1cncc(c1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(C[C@@H]3CCCO3)C[*:1])c12)-c1ccco1
Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)c12 c1coc(c1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)c12)[*:1]
O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccc(-c2nccs2)cc1 c1csc(n1)[*:1] O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccc(cc1)[*:1]
Cc1nc(-c2cccc(OCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c2)no1 O=S(=O)(N1CCOCC1)[*:1] Cc1nc(no1)-c1cccc(c1)OCC(=O)Nc1ccc(C)c(c1)[*:1]
Cc1nc(-c2cccc(OCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c2)no1 Cc1nc(no1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)NC(=O)COc1cccc(c1)[*:1]
CCCN(CCO)C(=O)N[C@H]1CCc2ccccc21 OCC[*:1] CCCN(C(=O)N[C@H]1CCc2ccccc21)[*:1]
CCCN(CCO)C(=O)N[C@H]1CCc2ccccc21 CCC[*:1] O=C(N[C@H]1CCc2ccccc21)N(CCO)[*:1]
CCc1ccc(C[NH2+][C@@H](c2ccc(OC)cc2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] CCc1ccc(cc1)C[NH2+][C@@H](C1CCOCC1)[*:1]
CCc1ccc(C[NH2+][C@@H](c2ccc(OC)cc2)C2CCOCC2)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]([NH2+]C[*:1])C1CCOCC1
CCc1ccc(C[NH2+][C@@H](c2ccc(OC)cc2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] CCc1ccc(cc1)C[NH2+][C@@H](c1ccc(cc1)OC)[*:1]
Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)s1 Cc1ccc(s1)[*:1] O=C([O-])[C@@H]1CCCN(C1)C(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)s1 O=C([O-])[*:1] Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C2)[*:1])s1
Cc1cc(C)c(C(=O)NC[C@@](C)(O)c2cnn(C)c2)c(C)c1 Cn1cc(cn1)[*:1] Cc1cc(C)c(C(=O)NC[C@@](C)(O)[*:1])c(C)c1
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([O-])c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([O-])c(c1)[*:1]
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([O-])c([N+](=O)[O-])c1 Clc1ccc(cc1)O[*:1] O=C(C[*:1])N/N=C/c1ccc([O-])c(c1)[N+](=O)[O-]
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([O-])c([N+](=O)[O-])c1 Clc1ccc(cc1)[*:1] O=C(CO[*:1])N/N=C/c1ccc([O-])c(c1)[N+](=O)[O-]
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(C)ccc3n2)cc1 c1cncc(c1)[*:1] CC(=O)Nc1ccc(cc1)-c1cc(C(=O)NC[*:1])c2cc(C)ccc2n1
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(C)ccc3n2)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1ccc2nc(cc(C(=O)NCc3cccnc3)c2c1)[*:1]
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(C)ccc3n2)cc1 c1cncc(c1)C[*:1] CC(=O)Nc1ccc(cc1)-c1cc(C(=O)N[*:1])c2cc(C)ccc2n1
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(C)ccc3n2)cc1 CC(=O)N[*:1] Cc1ccc2nc(cc(C(=O)NCc3cccnc3)c2c1)-c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(C)ccc3n2)cc1 O=C(NCc1cccnc1)[*:1] CC(=O)Nc1ccc(cc1)-c1cc(c2cc(C)ccc2n1)[*:1]
COc1ccc(NC(=O)c2ccc(Br)o2)c(Cl)c1 Brc1ccc(o1)[*:1] COc1ccc(NC(=O)[*:1])c(Cl)c1
COCCC(=O)N1CCC(c2noc3nc(C(C)C)cc(C(F)(F)F)c23)CC1 CC(C)[*:1] COCCC(=O)N1CCC(CC1)c1noc2nc(cc(c12)C(F)(F)F)[*:1]
COCCC(=O)N1CCC(c2noc3nc(C(C)C)cc(C(F)(F)F)c23)CC1 COCC[*:1] CC(C)c1cc(c2c(noc2n1)C1CCN(CC1)C(=O)[*:1])C(F)(F)F
COCCC(=O)N1CCC(c2noc3nc(C(C)C)cc(C(F)(F)F)c23)CC1 FC(F)(F)[*:1] COCCC(=O)N1CCC(CC1)c1noc2nc(cc(c12)[*:1])C(C)C
COCCC(=O)N1CCC(c2noc3nc(C(C)C)cc(C(F)(F)F)c23)CC1 COC[*:1] CC(C)c1cc(c2c(noc2n1)C1CCN(CC1)C(=O)C[*:1])C(F)(F)F
Cc1ccc(NC(=O)N(C)CCOc2ccccc2F)cc1-n1cnnn1 Fc1ccccc1OC[*:1] Cc1ccc(cc1-n1cnnn1)NC(=O)N(C)C[*:1]
Cc1ccc(NC(=O)N(C)CCOc2ccccc2F)cc1-n1cnnn1 Fc1ccccc1O[*:1] Cc1ccc(cc1-n1cnnn1)NC(=O)N(C)CC[*:1]
Cc1ccc(NC(=O)N(C)CCOc2ccccc2F)cc1-n1cnnn1 c1nnnn1[*:1] Cc1ccc(cc1[*:1])NC(=O)N(C)CCOc1ccccc1F
Cc1ccc(NC(=O)N(C)CCOc2ccccc2F)cc1-n1cnnn1 Fc1ccccc1[*:1] Cc1ccc(cc1-n1cnnn1)NC(=O)N(C)CCO[*:1]
O=C(CCc1ccc(Cl)s1)Nc1cnn(CC[NH+]2CCCCC2)c1 Clc1ccc(CC[*:1])s1 O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
O=C(CCc1ccc(Cl)s1)Nc1cnn(CC[NH+]2CCCCC2)c1 Clc1ccc(C[*:1])s1 O=C(C[*:1])Nc1cnn(c1)CC[NH+]1CCCCC1
O=C(CCc1ccc(Cl)s1)Nc1cnn(CC[NH+]2CCCCC2)c1 Clc1ccc(s1)[*:1] O=C(CC[*:1])Nc1cnn(c1)CC[NH+]1CCCCC1
Cc1ccc(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)cn1 Cc1ccc(cn1)[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)N1CCOC1=O
Cc1ccc(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)cn1 O=C1OCCN1[*:1] Cc1ccc(cn1)C(=O)N[C@H](C)c1cccc(c1)[*:1]
CS[C@@H]1CCC[C@@H]1NC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 Cc1cc(c(C)o1)[*:1] CS[C@@H]1CCC[C@@H]1NC(=O)N1CCN(CC1)C(=O)[*:1]
O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 c1coc(c1)[*:1] O=C(Nc1cc(nn1-c1nc2CCCc2c(=O)[nH]1)[*:1])[C@H]1CC(=O)N(C1)c1ccc(F)cc1
O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1cc(nn1-c1nc2CCCc2c(=O)[nH]1)-c1ccco1)[C@H]1CC(=O)N(C1)[*:1]
O=C1COc2ccccc2N1CCC(=O)N(Cc1ccc(F)cc1)C1CC1 C1CC1[*:1] O=C1COc2ccccc2N1CCC(=O)N(Cc1ccc(F)cc1)[*:1]
O=C1COc2ccccc2N1CCC(=O)N(Cc1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] O=C1COc2ccccc2N1CCC(=O)N(C[*:1])C1CC1
O=C1COc2ccccc2N1CCC(=O)N(Cc1ccc(F)cc1)C1CC1 Fc1ccc(cc1)C[*:1] O=C1COc2ccccc2N1CCC(=O)N(C1CC1)[*:1]
CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(OCC)cc3)CC2)n1 CCO[*:1] CCNc1nc(C)cc(n1)N1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(OCC)cc3)CC2)n1 CCOc1ccc(cc1)[*:1] CCNc1nc(C)cc(n1)N1CCN(CC1)C(=O)[*:1]
CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(OCC)cc3)CC2)n1 CCN[*:1] CCOc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(C)nc(n1)[*:1]
CCCN1CCO[C@@H]([C@@H](Cc2ncnn2C(C)C)[NH2+]C)C1 CC(C)[*:1] CCCN1CCO[C@H](C1)[C@@H](Cc1ncnn1[*:1])[NH2+]C
CCCN1CCO[C@@H]([C@@H](Cc2ncnn2C(C)C)[NH2+]C)C1 CCC[*:1] C[NH2+][C@H](Cc1ncnn1C(C)C)[C@H]1CN(CCO1)[*:1]
CNC(=O)c1oc2ccccc2c1CSc1ncn[nH]1 c1n[nH]c(n1)S[*:1] CNC(=O)c1oc2ccccc2c1C[*:1]
CNC(=O)c1oc2ccccc2c1CSc1ncn[nH]1 CNC(=O)[*:1] c1ccc2c(CSc3ncn[nH]3)c(oc2c1)[*:1]
CNC(=O)c1oc2ccccc2c1CSc1ncn[nH]1 c1n[nH]c(n1)[*:1] CNC(=O)c1oc2ccccc2c1CS[*:1]
Cc1cnc(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cn1 Cc1cnc(cn1)[*:1] Cc1cc(ccc1Br)NC(=O)COC(=O)[*:1]
Cn1c(CNC(=O)c2ccc3nccn3c2)nc2cc(C(F)(F)F)ccc21 c1cn2cc(ccc2n1)[*:1] Cn1c(CNC(=O)[*:1])nc2cc(ccc21)C(F)(F)F
Cn1c(CNC(=O)c2ccc3nccn3c2)nc2cc(C(F)(F)F)ccc21 FC(F)(F)[*:1] Cn1c(CNC(=O)c2ccc3nccn3c2)nc2cc(ccc21)[*:1]
CCc1ccccc1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C CCc1ccccc1[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1cccc(F)c1
CCc1ccccc1NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C Fc1cccc(c1)[*:1] CCc1ccccc1NC(=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
C=CCCC(=O)NCC1(CN2CCOCC2)CCCCC1 C=CCCC(=O)N[*:1] C1CCC(CC1)(CN1CCOCC1)C[*:1]
C=CCCC(=O)NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)C[*:1] C=CCCC(=O)NCC1(CCCCC1)[*:1]
C=CCCC(=O)NCC1(CN2CCOCC2)CCCCC1 C=CCC[*:1] O=C(NCC1(CCCCC1)CN1CCOCC1)[*:1]
C=CCCC(=O)NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] C=CCCC(=O)NCC1(CCCCC1)C[*:1]
C=CCCC(=O)NCC1(CN2CCOCC2)CCCCC1 C=CC[*:1] O=C(C[*:1])NCC1(CCCCC1)CN1CCOCC1
C/C(C[C@]1(O)C(=O)Nc2ccccc21)=N\NC(=O)COc1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C/C(C[C@]1(O)C(=O)Nc2ccccc21)=N\NC(=O)CO[*:1]
C/C(C[C@]1(O)C(=O)Nc2ccccc21)=N\NC(=O)COc1ccc(Cl)cc1Cl Clc1ccc(O[*:1])c(Cl)c1 C/C(C[C@]1(O)C(=O)Nc2ccccc21)=N\NC(=O)C[*:1]
CC(C)C[C@H]1NC(=O)N(CC(=O)N(C)Cc2cccs2)C1=O c1csc(c1)C[*:1] CC(C)C[C@H]1NC(=O)N(CC(=O)N(C)[*:1])C1=O
CC(C)C[C@H]1NC(=O)N(CC(=O)N(C)Cc2cccs2)C1=O CC(C)[*:1] CN(Cc1cccs1)C(=O)CN1C(=O)N[C@H](C[*:1])C1=O
CC(C)C[C@H]1NC(=O)N(CC(=O)N(C)Cc2cccs2)C1=O c1csc(c1)[*:1] CC(C)C[C@H]1NC(=O)N(CC(=O)N(C)C[*:1])C1=O
CC(C)C[C@H]1NC(=O)N(CC(=O)N(C)Cc2cccs2)C1=O CC(C)C[*:1] CN(Cc1cccs1)C(=O)CN1C(=O)N[C@@H](C1=O)[*:1]
O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NC[C@H]1CCCO1)c1c(NC(=O)[*:1])sc2CCCCc21
FC(F)(F)c1c[nH]c(C2CC[NH+](Cc3cccc4c3OCO4)CC2)n1 FC(F)(F)[*:1] c1cc(C[NH+]2CCC(CC2)c2nc(c[nH]2)[*:1])c2OCOc2c1
Cc1ccc([C@H]2c3ccc(O)cc3Oc3nc[n+](CCC[NH+](C)C)c(N)c32)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)CCC[n+]1cnc2Oc3cc(O)ccc3[C@@H](c2c1N)[*:1]
Cc1ccc(CN(C)C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)o1 Cc1ccc(C[*:1])o1 CN(C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)[*:1]
Cc1ccc(CN(C)C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)o1 c1csc(c1)[*:1] Cc1ccc(CN(C)C(=O)Cn2cnc3scc(c3c2=O)[*:1])o1
Cc1ccc(CN(C)C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O
CC(C)n1c(C[C@H](O)C(F)(F)F)nc2cc(Cl)ccc21 CC(C)[*:1] O[C@@H](Cc1nc2cc(Cl)ccc2n1[*:1])C(F)(F)F
CC(C)n1c(C[C@H](O)C(F)(F)F)nc2cc(Cl)ccc21 FC(F)(F)[*:1] CC(C)n1c(C[C@H](O)[*:1])nc2cc(Cl)ccc21
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)NCc1ccccc1 Fc1ccc(cc1)C[*:1] O=C(CSc1nc2ccsc2c(=O)n1[*:1])NCc1ccccc1
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)NCc1ccccc1 Fc1ccc(cc1)[*:1] O=C(CSc1nc2ccsc2c(=O)n1C[*:1])NCc1ccccc1
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)N[*:1]
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] O=c1c2sccc2nc(SC[*:1])n1Cc1ccc(F)cc1
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)NC[*:1]
COCC[NH2+]CC/C=C/[C@@H]1CCOC2(CCSCC2)C1 COCC[*:1] C(=C/[C@@H]1CCOC2(CCSCC2)C1)\CC[NH2+][*:1]
COCC[NH2+]CC/C=C/[C@@H]1CCOC2(CCSCC2)C1 COC[*:1] C(=C/[C@@H]1CCOC2(CCSCC2)C1)\CC[NH2+]C[*:1]
COc1cc(NCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1F O=c1[nH]nc([nH]1)[*:1] COc1cc(NCC[*:1])c(cc1F)[N+](=O)[O-]
COc1cc(NCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1F O=c1[nH]nc(C[*:1])[nH]1 COc1cc(NC[*:1])c(cc1F)[N+](=O)[O-]
COc1cc(NCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] COc1cc(NCCc2n[nH]c(=O)[nH]2)c(cc1F)[*:1]
COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)c1ccc(F)c(F)c1 O=[N+]([O-])[*:1] COCc1cc(ccc1N[C@@H](C)c1ccc(F)c(F)c1)[*:1]
COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)c1ccc(F)c(F)c1 COC[*:1] C[C@H](Nc1ccc(cc1[*:1])[N+](=O)[O-])c1ccc(F)c(F)c1
COc1ccc(NC(=O)c2sc3sccc3c2Cl)cc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] COc1ccc(cc1[*:1])NC(=O)c1sc2sccc2c1Cl
CSCC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 CSCC(=O)NC[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(F)cc1
CSCC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 CSCC(=O)N[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccc(F)cc1
CSCC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CSCC(=O)NCCC(=O)N1CCN(CC1)[*:1]
CSCC(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 CSC[*:1] O=C(CCNC(=O)[*:1])N1CCN(CC1)c1ccc(F)cc1
Cc1cc(N)ncc1S(=O)(=O)[O-] O=S(=O)([O-])[*:1] Cc1cc(N)ncc1[*:1]
N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1 c1ccc(cc1)[*:1] N#C[C@H](C(=O)CC(c1ccccc1)[*:1])C(=O)NC1CCCC1
N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)N[*:1]
N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] N#C[C@H](C(=O)CC(c1ccccc1)c1ccccc1)[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 C1CC1[*:1] C[C@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)Nc1cccc(c1)C(=O)N[*:1]
C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 O=C(NC1CC1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
COC(=O)c1cc(C#N)ccc1I COC(=O)[*:1] N#Cc1ccc(I)c(c1)[*:1]
CCC[NH+]1CCCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC1 FC(F)[*:1] CCC[NH+]1CCCN(CC1)C(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
CCC[NH+]1CCCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC1 CCC[*:1] O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)N1CCC[NH+](CC1)[*:1]
CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 c1ccc(nc1)[*:1] CN1C[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@H](C(=O)[*:1])[C@]12C(=O)Nc1ccccc12
CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 O=[N+]([O-])[*:1] CN1C[C@@H](c2ccc(cc2)[*:1])[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12
CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 O=[N+]([O-])c1ccc(cc1)[*:1] CN1C[C@@H]([C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12)[*:1]
CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 O=C(c1ccccn1)[*:1] CN1C[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@H]([C@]12C(=O)Nc1ccccc12)[*:1]
NC(=O)Cn1c(C[NH+]2CCCCC2)nc2ccccc2c1=O NC(=O)[*:1] O=c1c2ccccc2nc(C[NH+]2CCCCC2)n1C[*:1]
NC(=O)Cn1c(C[NH+]2CCCCC2)nc2ccccc2c1=O NC(=O)C[*:1] O=c1c2ccccc2nc(C[NH+]2CCCCC2)n1[*:1]
C[C@H]1CN(Cc2cccc(NC(=O)c3ccnc(Cl)c3)c2)C[C@@H](C)O1 Clc1cc(ccn1)[*:1] C[C@H]1CN(Cc2cccc(c2)NC(=O)[*:1])C[C@@H](C)O1
CCOc1ccc(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)cc1 CC(C)C[*:1] CCOc1ccc(cc1)NC(=O)[C@@H](N1Cc2ccccc2C1=O)[*:1]
CCOc1ccc(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)cc1 CCOc1ccc(cc1)[*:1] CC(C)C[C@H](C(=O)N[*:1])N1Cc2ccccc2C1=O
CCOc1ccc(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)cc1 CC(C)[*:1] CCOc1ccc(cc1)NC(=O)[C@@H](C[*:1])N1Cc2ccccc2C1=O
CCOc1ccc(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)cc1 CCO[*:1] CC(C)C[C@H](C(=O)Nc1ccc(cc1)[*:1])N1Cc2ccccc2C1=O
CS[C@H](C)C[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C CC(C)(C)[*:1] CS[C@H](C)C[NH2+][C@@H](C)c1sc(nc1C)[*:1]
CS[C@H](C)C[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C CS[C@H](C)[*:1] Cc1nc(sc1[C@H](C)[NH2+]C[*:1])C(C)(C)C
CC[C@H](C)[C@H]1CN(Cc2cc(F)cc(Br)c2)[C@H](C)C[NH2+]1 CC[C@H](C)[*:1] C[C@@H]1C[NH2+][C@H](CN1Cc1cc(F)cc(Br)c1)[*:1]
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)[C@H]2C=C[C@@H]([NH3+])C2)C1 O=C([O-])[*:1] CO[C@H]1C[C@H](N(C1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1)[*:1]
Cc1ccccc1CCNC(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] Cc1ccccc1CCNC(=O)c1n[nH]c(n1)[*:1]
Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1=O)CC2 c1ccc(cc1)C[*:1] Cc1nc2CC[C@@H](Cn2n1)[NH2+][C@H]1CCCN(C1=O)[*:1]
Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1=O)CC2 c1ccc(cc1)[*:1] Cc1nc2CC[C@@H](Cn2n1)[NH2+][C@H]1CCCN(C[*:1])C1=O
Cc1cn(-c2ccccc2Cl)nc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[*:1]
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 CC(=O)OC(OC(C)=O)[*:1] O=C1[C@H]2[C@@H](C(=O)N1c1ccc3OCOc3c1)[C@H]1C=C[C@]2(O1)[*:1]
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 CC(=O)O[*:1] CC(=O)OC([C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(C(=O)[C@@H]12)c1ccc2OCOc2c1)[*:1]
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 c1cc2OCOc2cc1[*:1] CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(C(=O)[C@@H]12)[*:1]
CO[C@@]1(C)C[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)C1(C)C NC(=O)[*:1] CO[C@@]1(C)C[C@H](NC(=O)N[C@@H]2CCC[C@H]2[*:1])C1(C)C
CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1 CC(C)[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)N[C@H](C(=O)Nc1ccccc1)[*:1]
CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)C[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC(=O)C[C@H]1CCCCN1C(=O)[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)C[C@H]1CCCO1 CC(=O)C[*:1] O=C(C[C@H]1CCCO1)N1CCCC[C@@H]1[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)C[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(=O)C[C@H]1CCCCN1C(=O)C[*:1]
CC(=O)C[C@H]1CCCCN1C(=O)C[C@H]1CCCO1 CC(=O)[*:1] O=C(C[C@H]1CCCO1)N1CCCC[C@@H]1C[*:1]
O=C(C[C@H](O)c1ccccc1)N1CCCCC[C@H]1c1ccco1 c1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N1CCCCC[C@H]1c1ccco1
O=C(C[C@H](O)c1ccccc1)N1CCCCC[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(C[C@H](O)c1ccccc1)N1CCCCC[C@@H]1[*:1]
O=C([O-])c1ccc(Br)c(NC(=S)NC(=O)c2cccs2)c1 c1csc(c1)[*:1] O=C([O-])c1ccc(Br)c(c1)NC(=S)NC(=O)[*:1]
O=C([O-])c1ccc(Br)c(NC(=S)NC(=O)c2cccs2)c1 O=C([O-])[*:1] O=C(NC(=S)Nc1cc(ccc1Br)[*:1])c1cccs1
O=C(CBr)c1cccc(Br)c1F O=C(CBr)[*:1] Fc1c(Br)cccc1[*:1]
C[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C#N)ccc1Cl C[C@@H]1CCC[C@H]1[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)N[*:1]
CC(C)c1ccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)cc1 CC(C)[*:1] C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(cc2)[*:1])CC1
CC(C)c1ccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 CC(C)c1ccc(cc1)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)CO[*:1]
CC(C)c1ccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 CC(C)c1ccc(cc1)O[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)C[*:1]
CC(C)c1ccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 CC(C)[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)COc1ccc(cc1)[*:1]
CO[C@]1(C)C[C@@H](N(C)C(=O)CNC(=O)c2cccs2)C1(C)C c1csc(c1)[*:1] CO[C@]1(C)C[C@@H](N(C)C(=O)CNC(=O)[*:1])C1(C)C
CC(C)[C@@H](NC(=O)Cc1cn(C)c2ccccc12)C(=O)N1CCOCC1 CC(C)[*:1] Cn1cc(CC(=O)N[C@@H](C(=O)N2CCOCC2)[*:1])c2ccccc21
CC(C)[C@@H](NC(=O)Cc1cn(C)c2ccccc12)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC(C)[C@@H](NC(=O)Cc1cn(C)c2ccccc12)[*:1]
Cc1cnn(Cc2ccc(NC(=O)C(=O)N3CCCC3)cc2)c1 Cc1cnn(c1)C[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CCCC1
Cc1cnn(Cc2ccc(NC(=O)C(=O)N3CCCC3)cc2)c1 Cc1cnn(c1)[*:1] O=C(Nc1ccc(cc1)C[*:1])C(=O)N1CCCC1
O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1 O=[N+]([O-])[*:1] O=C(OCc1ccc(cc1)[*:1])[C@H]1COc2ccccc2O1
CCCNC(=O)C[NH2+]Cc1cc(C#N)n(C)c1C CCCNC(=O)[*:1] Cc1c(cc(C#N)n1C)C[NH2+]C[*:1]
CCCNC(=O)C[NH2+]Cc1cc(C#N)n(C)c1C CCC[*:1] Cc1c(cc(C#N)n1C)C[NH2+]CC(=O)N[*:1]
Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1S(=O)(=O)N1CCCC1 c1ccc(cc1)O[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)Nc1ccccc1[*:1]
Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1S(=O)(=O)N1CCCC1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)Nc1ccccc1O[*:1]
Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] Cc1ccc(cc1[*:1])C(=O)Nc1ccccc1Oc1ccccc1
N#Cc1ccc(N2CCO[C@H](c3ccccc3Br)C2)c(F)c1 Brc1ccccc1[*:1] N#Cc1ccc(c(F)c1)N1CCO[C@H](C1)[*:1]
C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2cccc(C)c21 Clc1cccc(c1)[*:1] C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3[*:1])c2cccc(C)c21
C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2cccc(C)c21 C=CC[*:1] Cc1cccc2c1N(C(=O)[C@@]21CC(O)=Nc2c1cnn2-c1cccc(Cl)c1)[*:1]
O=C1C[C@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)C2(CCCCC2)O1 O=C(N1CCCCC1)[*:1] O=C1C[C@H](C(=O)Nc2ccc(cc2)[*:1])C2(CCCCC2)O1
O=C(Nc1ccc2[nH]nnc2c1)c1cnc([C@H]2CCCO2)s1 C1CO[C@H](C1)[*:1] O=C(Nc1ccc2[nH]nnc2c1)c1cnc(s1)[*:1]
O=C(Nc1nc(-c2cccs2)cs1)c1c(F)cccc1Cl c1csc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1c(F)cccc1Cl
Cc1nc2ccc3nc(NC(=O)c4cccc(Br)c4)sc3c2s1 Brc1cccc(c1)[*:1] Cc1nc2ccc3nc(NC(=O)[*:1])sc3c2s1
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] COc1ccccc1C(=O)N[C@@H](CCSC)[*:1]
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCCCC1 CSC[*:1] COc1ccccc1C(=O)N[C@@H](C[*:1])C(=O)N1CCCCC1
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCCCC1 CSCC[*:1] COc1ccccc1C(=O)N[C@@H](C(=O)N1CCCCC1)[*:1]
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCCCC1 COc1ccccc1[*:1] CSCC[C@H](NC(=O)[*:1])C(=O)N1CCCCC1
CCC[C@@H]1CN(C(=O)c2cccc(O)c2)C[C@H]1[NH+](C)C CCC[*:1] C[NH+](C)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1cccc(O)c1
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[*:1]
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(Br)cc1 Fc1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)c1ccc(Br)cc1
FC(F)(F)c1cccc(N[C@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])N[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1
Cn1cnc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1 FC(F)(F)[*:1] Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)c1nc2ccccc2nc1[*:1]
Cn1cnc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1 Cn1cnc(c1)[*:1] O=S(=O)(N1CCN(CC1)c1nc2ccccc2nc1C(F)(F)F)[*:1]
Cc1cc(C(=O)NNC(=O)c2ccccc2I)n[nH]1 Cc1cc(n[nH]1)[*:1] O=C(NNC(=O)[*:1])c1ccccc1I
Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3CCC[C@@H]3O)cc2F)n1 Cc1cc(C)n(n1)[*:1] O=C(NC[C@H]1CCC[C@@H]1O)c1ccc(c(F)c1)[*:1]
C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1cccc(C#N)c1 CC(C)(C)OC(=O)NC[*:1] C[C@H](NC(=O)c1ccc(o1)[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1cccc(C#N)c1 CC(C)(C)[*:1] C[C@H](NC(=O)c1ccc(CNC(=O)O[*:1])o1)c1cccc(C#N)c1
C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1cccc(C#N)c1 CC(C)(C)OC(=O)N[*:1] C[C@H](NC(=O)c1ccc(C[*:1])o1)c1cccc(C#N)c1
C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)[*:1]
O=C(NCc1cccs1)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 O=C(NCc1cccs1)[*:1] O=S1(=O)N[C@H](Nc2ccccc21)c1ccc(cc1)[*:1]
O=C(NCc1cccs1)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 c1csc(c1)C[*:1] O=C(N[*:1])c1ccc(cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1
O=C(NCc1cccs1)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 c1csc(c1)[*:1] O=C(NC[*:1])c1ccc(cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1
COc1ccc2c(c1)=[NH+][C@H](SCC(=O)N[C@@H]1N=C(c3ccccc3)CS1)[NH+]=2 c1ccc(cc1)[*:1] COc1ccc2=[NH+][C@H]([NH+]=c2c1)SCC(=O)N[C@@H]1N=C(CS1)[*:1]
Cc1ccc(C)n1NC(=O)[C@@H](O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(C)n1NC(=O)[C@@H](O)[*:1]
Cc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)c(C)o1 c1cc(ccn1)C[*:1] Cc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(C3)[*:1])C2)c(C)o1
Cc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)[*:1])CN1Cc1ccncc1
Cc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)c(C)o1 c1cc(ccn1)[*:1] Cc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(C3)C[*:1])C2)c(C)o1
CNC(=O)c1cc(NC(=O)CCC(=O)c2ccc(C)s2)ccc1Cl Cc1ccc(s1)C(=O)[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)CC[*:1]
CNC(=O)c1cc(NC(=O)CCC(=O)c2ccc(C)s2)ccc1Cl Cc1ccc(s1)[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)CCC(=O)[*:1]
CNC(=O)c1cc(NC(=O)CCC(=O)c2ccc(C)s2)ccc1Cl CNC(=O)[*:1] Cc1ccc(s1)C(=O)CCC(=O)Nc1ccc(Cl)c(c1)[*:1]
O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)c1ccccc1)[C@H]1C[C@H]1[*:1]
O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])[C@H]1C[C@@H]1c1ccccc1
Cc1csc(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 Cc1csc(n1)S[*:1] C[C@H](C(=O)Nc1nc(cs1)-c1ccc(F)cc1)[*:1]
Cc1csc(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 Cc1csc(n1)[*:1] C[C@@H](S[*:1])C(=O)Nc1nc(cs1)-c1ccc(F)cc1
Cc1csc(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 Fc1ccc(cc1)[*:1] Cc1csc(n1)S[C@H](C)C(=O)Nc1nc(cs1)[*:1]
O=C(Nc1cc(F)ccc1F)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(Nc1cc(F)ccc1F)C(=O)N[C@H]1CCN(C1)C[*:1]
O=C(Nc1cc(F)ccc1F)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(Nc1cc(F)ccc1F)C(=O)N[C@H]1CCN(C1)[*:1]
O=C(Nc1cc(F)ccc1F)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 Fc1ccc(F)c(c1)[*:1] O=C(N[C@H]1CCN(C1)CC(F)(F)F)C(=O)N[*:1]
CCOC(=O)[C@H](C)OC(=O)c1ccccc1-c1nc2cc(C)ccc2o1 CCOC(=O)[*:1] Cc1ccc2oc(nc2c1)-c1ccccc1C(=O)O[C@@H](C)[*:1]
CCOc1cc(-c2[nH+]c3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O CCO[*:1] O=[N+]([O-])c1cc(/C=N/c2c([nH+]c3ccccn23)-c2ccc(O)c(c2)[*:1])ccc1Cl
CCOc1cc(-c2[nH+]c3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O O=[N+]([O-])c1cc(ccc1Cl)[*:1] CCOc1cc(ccc1O)-c1[nH+]c2ccccn2c1N=C[*:1]
CCOc1cc(-c2[nH+]c3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O O=[N+]([O-])[*:1] CCOc1cc(ccc1O)-c1[nH+]c2ccccn2c1/N=C/c1ccc(Cl)c(c1)[*:1]
CCOc1cc(-c2[nH+]c3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O CCOc1cc(ccc1O)[*:1] O=[N+]([O-])c1cc(/C=N/c2c([nH+]c3ccccn23)[*:1])ccc1Cl
C[C@H]1[C@@H](C)SCCN1C(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)[*:1] C[C@H]1[C@@H](C)SCCN1C(=O)c1cn(C[*:1])nn1
C[C@H]1[C@@H](C)SCCN1C(=O)c1cn(Cc2cccnc2)nn1 c1cncc(c1)C[*:1] C[C@H]1[C@@H](C)SCCN1C(=O)c1cn(nn1)[*:1]
CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)NCC(F)(F)F)nc2c1 FC(F)(F)[*:1] CN(C)S(=O)(=O)c1ccc2oc(nc2c1)SCC(=O)NC[*:1]
CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)NCC(F)(F)F)nc2c1 CN(C)S(=O)(=O)[*:1] O=C(CSc1nc2cc(ccc2o1)[*:1])NCC(F)(F)F
CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)NCC(F)(F)F)nc2c1 FC(F)(F)C[*:1] CN(C)S(=O)(=O)c1ccc2oc(nc2c1)SCC(=O)N[*:1]
CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)NCC(F)(F)F)nc2c1 O=C(NCC(F)(F)F)[*:1] CN(C)S(=O)(=O)c1ccc2oc(nc2c1)SC[*:1]
N#Cc1cc(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)ccc1F O=C1CCCN1C[*:1] N#Cc1cc(ccc1F)NC(=O)N[C@H](c1ccccc1)[*:1]
N#Cc1cc(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)ccc1F O=C1CCCN1[*:1] N#Cc1cc(ccc1F)NC(=O)N[C@H](C[*:1])c1ccccc1
N#Cc1cc(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)ccc1F N#Cc1cc(ccc1F)[*:1] O=C(N[C@H](CN1CCCC1=O)c1ccccc1)N[*:1]
N#Cc1cc(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)ccc1F c1ccc(cc1)[*:1] N#Cc1cc(ccc1F)NC(=O)N[C@H](CN1CCCC1=O)[*:1]
Cc1nc2cc(F)ccc2cc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nc2cc(F)ccc2cc1C(=O)OCc1ccc(cc1[*:1])C(N)=O
Cc1nc2cc(F)ccc2cc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] NC(=O)[*:1] Cc1nc2cc(F)ccc2cc1C(=O)OCc1ccc(cc1[N+](=O)[O-])[*:1]
CN(C)C(=O)CNS(=O)(=O)c1ccc2ccccc2c1 CN(C)C(=O)[*:1] O=S(=O)(NC[*:1])c1ccc2ccccc2c1
CN(C)C(=O)CNS(=O)(=O)c1ccc2ccccc2c1 CN(C)C(=O)C[*:1] O=S(=O)(N[*:1])c1ccc2ccccc2c1
C/C=C(/C)C(=O)N[C@@H](C#N)c1ccc(F)cc1F CC=C(C)[*:1] N#C[C@H](NC(=O)[*:1])c1ccc(F)cc1F
CCc1cccc(NC(=O)[C@@H]2CCCO2)c1 C1CO[C@@H](C1)[*:1] CCc1cccc(c1)NC(=O)[*:1]
O=S(=O)([N-]Cc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)c1cccnc1 c1cncc(c1)[*:1] O=S(=O)([N-]Cc1cc[nH+]c(c1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
O=S(=O)([N-]Cc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1)c1cccnc1 Fc1ccc(cc1)[*:1] O=S(=O)([N-]Cc1cc[nH+]c(c1)N1CCN(CC1)[*:1])c1cccnc1
CC(C)OCCCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 CC(C)OC[*:1] O=C(NCC[*:1])C1CCN(CC1)c1ncnc2c1nc1CCCCCn12
CC(C)OCCCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 CC(C)[*:1] O=C(NCCCO[*:1])C1CCN(CC1)c1ncnc2c1nc1CCCCCn12
CC(C)OCCCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 CC(C)OCCCNC(=O)[*:1] c1nc(c2nc3CCCCCn3c2n1)N1CCC(CC1)[*:1]
CC(C)OCCCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 CC(C)OCCC[*:1] O=C(N[*:1])C1CCN(CC1)c1ncnc2c1nc1CCCCCn12
CC(C)OCCCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 CC(C)OCC[*:1] O=C(NC[*:1])C1CCN(CC1)c1ncnc2c1nc1CCCCCn12
CC(C)OCCCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 CC(C)O[*:1] O=C(NCCC[*:1])C1CCN(CC1)c1ncnc2c1nc1CCCCCn12
CCC(CC)c1nnc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CC)s1 CCC(CC)[*:1] CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1nnc(s1)[*:1]
CCc1oc2ccccc2c1/C=C/C(=O)[C@H](C#N)c1ccc(F)cn1 Fc1ccc(nc1)[*:1] CCc1oc2ccccc2c1/C=C/C(=O)[C@H](C#N)[*:1]
O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F c1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F
O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F c1ccc(cc1)C[*:1] O=C(N[*:1])[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F
O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F O=C(NCc1ccccc1)[*:1] O=C(c1csnn1)N(c1ccccc1F)[C@H](c1ccncc1)[*:1]
O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F c1snnc1[*:1] O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(C(=O)[*:1])c1ccccc1F
O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F Fc1ccccc1[*:1] O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)[*:1]
O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F c1cc(ccn1)[*:1] O=C(NCc1ccccc1)[C@@H](N(C(=O)c1csnn1)c1ccccc1F)[*:1]
CC(=O)Nc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1Cl CC(=O)N[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])NC12CC3CC(CC(C3)C1)C2
CC(C)Cn1c(S[C@@H](C)C(=O)N(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 CC(C)[*:1] C[C@H]1CCc2c(C1)sc1nc(S[C@@H](C)C(=O)N(C)C)n(C[*:1])c(=O)c21
CC(C)Cn1c(S[C@@H](C)C(=O)N(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 C[C@H](S[*:1])C(=O)N(C)C CC(C)Cn1c(nc2sc3C[C@@H](C)CCc3c2c1=O)[*:1]
CC(C)Cn1c(S[C@@H](C)C(=O)N(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 C[C@@H](C(=O)N(C)C)[*:1] CC(C)Cn1c(nc2sc3C[C@@H](C)CCc3c2c1=O)S[*:1]
CC(C)Cn1c(S[C@@H](C)C(=O)N(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 CC(C)C[*:1] C[C@H]1CCc2c(C1)sc1nc(S[C@@H](C)C(=O)N(C)C)n(c(=O)c21)[*:1]
CC(C)Cn1c(S[C@@H](C)C(=O)N(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 CN(C)C(=O)[*:1] CC(C)Cn1c(nc2sc3C[C@@H](C)CCc3c2c1=O)S[C@@H](C)[*:1]
CN(C)c1cccc(C(=O)NCc2nc3cccnc3n2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] CN(C)c1cccc(c1)C(=O)NCc1nc2cccnc2n1[*:1]
CN(C)c1cccc(C(=O)NCc2nc3cccnc3n2Cc2ccccc2)c1 CN(C)[*:1] O=C(NCc1nc2cccnc2n1Cc1ccccc1)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)NCc2nc3cccnc3n2Cc2ccccc2)c1 c1ccc(cc1)[*:1] CN(C)c1cccc(c1)C(=O)NCc1nc2cccnc2n1C[*:1]
CN(C)c1cccc(C(=O)NCc2nc3cccnc3n2Cc2ccccc2)c1 CN(C)c1cccc(c1)[*:1] O=C(NCc1nc2cccnc2n1Cc1ccccc1)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)c1csc(NC(C)=O)n1 CC[C@@H](C)[*:1] CC(=O)Nc1nc(cs1)C(=O)N[C@H](C)C[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)c1csc(NC(C)=O)n1 CC[C@@H](C)C[*:1] CC(=O)Nc1nc(cs1)C(=O)N[C@H](C)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)c1csc(NC(C)=O)n1 CC(=O)N[*:1] CC[C@@H](C)C[C@@H](C)NC(=O)c1csc(n1)[*:1]
C[C@H]1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)C[C@@H]1O c1ccc(cc1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)Nc1ccccc1C#C[*:1]
C[C@H]1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)C[C@@H]1O C(#C[*:1])c1ccccc1 C[C@H]1CCN(C[C@@H]1O)C(=O)Nc1ccccc1[*:1]
CC1(C)CC(NC(=O)c2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 O=[N+]([O-])[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)c1ccccc1[*:1]
CCn1nc(C)cc1C(=O)N1CC(OCc2cccc3ccccc23)C1 CCn1nc(C)cc1[*:1] O=C(N1CC(C1)OCc1cccc2ccccc12)[*:1]
O=C(CCCOc1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 c1ccc(cc1)O[*:1] O=C(CCC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
O=C(CCCOc1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 c1ccc(cc1)OC[*:1] O=C(CC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
O=C(CCCOc1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 c1ccc(cc1)[*:1] O=C(CCCO[*:1])NC1CCC(CC1)[NH+]1CCCCC1
O=C(Cc1ccc(NC(=O)c2cc3c(s2)SCC3)cc1)Nc1ccccc1F Fc1ccccc1[*:1] O=C(Cc1ccc(cc1)NC(=O)c1cc2CCSc2s1)N[*:1]
CCc1cc(N2CCC(NC(N)=O)CC2)n2c(nc3ccccc32)c1C#N NC(=O)N[*:1] CCc1cc(N2CCC(CC2)[*:1])n2c(nc3ccccc32)c1C#N
CCCOc1ccccc1O[C@H]1CC[C@]([NH2+]C)(C(=O)[O-])C1 CCCO[*:1] C[NH2+][C@@]1(CC[C@@H](C1)Oc1ccccc1[*:1])C(=O)[O-]
CCCOc1ccccc1O[C@H]1CC[C@]([NH2+]C)(C(=O)[O-])C1 CCC[*:1] C[NH2+][C@@]1(CC[C@@H](C1)Oc1ccccc1O[*:1])C(=O)[O-]
O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCC(O)(C(F)(F)F)CC1 Fc1ccc(F)c(c1)[*:1] O=C([C@@H]1C[C@@H]1[*:1])N1CCC(O)(CC1)C(F)(F)F
O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCC(O)(CC1)[*:1]
C[C@H](c1ccon1)N(C)C(=O)Cn1ccc2ccccc2c1=O c1cc(no1)[*:1] C[C@H](N(C)C(=O)Cn1ccc2ccccc2c1=O)[*:1]
O=C(Nc1nccs1)c1nnsc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nccs1)c1nnsc1[*:1]
O=C(Nc1nccs1)c1nnsc1-c1ccccc1 c1csc(n1)[*:1] O=C(N[*:1])c1nnsc1-c1ccccc1
NC(=O)C[C@H](NS(=O)(=O)c1cccc2nsnc12)C1CCCCC1 NC(=O)C[*:1] O=S(=O)(N[C@H](C1CCCCC1)[*:1])c1cccc2nsnc12
NC(=O)C[C@H](NS(=O)(=O)c1cccc2nsnc12)C1CCCCC1 NC(=O)[*:1] O=S(=O)(N[C@@H](C[*:1])C1CCCCC1)c1cccc2nsnc12
NC(=O)C[C@H](NS(=O)(=O)c1cccc2nsnc12)C1CCCCC1 C1CCC(CC1)[*:1] NC(=O)C[C@H](NS(=O)(=O)c1cccc2nsnc12)[*:1]
COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(c3ccc(F)cc3)CC2)c1 COc1cccc(c1)[*:1] O=C([C@@H]1C[C@H]1[*:1])N1CCC(CC1)c1ccc(F)cc1
COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1C[C@H]1C(=O)N1CCC(CC1)[*:1]
O=C(NCCc1ccccn1)N[C@@H](c1ccccc1)c1cccc(F)c1 c1ccc(C[*:1])nc1 O=C(NC[*:1])N[C@@H](c1ccccc1)c1cccc(F)c1
O=C(NCCc1ccccn1)N[C@@H](c1ccccc1)c1cccc(F)c1 c1ccc(nc1)[*:1] O=C(NCC[*:1])N[C@@H](c1ccccc1)c1cccc(F)c1
O=C(NCCc1ccccn1)N[C@@H](c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] O=C(NCCc1ccccn1)N[C@@H](c1cccc(F)c1)[*:1]
O=C(NCCc1ccccn1)N[C@@H](c1ccccc1)c1cccc(F)c1 c1ccc(CC[*:1])nc1 O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)N[*:1]
O=C(NCCc1ccccn1)N[C@@H](c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCCc1ccccn1)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(C)c(C[S@](=O)CCCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C[S@](=O)CCC[*:1]
O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1CCN(C[C@H]2CCCO2)CC1 Fc1ccc(cc1)[*:1] O=C(Cn1cnc2scc(c2c1=O)[*:1])N1CCN(CC1)C[C@H]1CCCO1
CC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC2CCCC2)c1 C1CCC(C1)CC[*:1] CC(=O)Nc1ccc(Cl)c(c1)NC(=O)NC[*:1]
CC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC2CCCC2)c1 CC(=O)N[*:1] O=C(NCCCC1CCCC1)Nc1cc(ccc1Cl)[*:1]
CC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC2CCCC2)c1 C1CCC(C1)[*:1] CC(=O)Nc1ccc(Cl)c(c1)NC(=O)NCCC[*:1]
CC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC2CCCC2)c1 C1CCC(C1)C[*:1] CC(=O)Nc1ccc(Cl)c(c1)NC(=O)NCC[*:1]
CC(C)(C)[C@@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1cccs1 CC(C)(C)[*:1] O=C(Nc1cnn(c1)C[C@@H]1CCCO1)N[C@@H](c1cccs1)[*:1]
CC(C)(C)[C@@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1cccs1 C1CO[C@@H](C1)C[*:1] CC(C)(C)[C@@H](NC(=O)Nc1cnn(c1)[*:1])c1cccs1
CC(C)(C)[C@@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1cccs1 C1CO[C@@H](C1)[*:1] CC(C)(C)[C@@H](NC(=O)Nc1cnn(c1)C[*:1])c1cccs1
CC(C)(C)[C@@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@@H](NC(=O)Nc1cnn(c1)C[C@@H]1CCCO1)[*:1]
C[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccc2ccccc2c1 Nc1nc(n[nH]1)S[*:1] C[C@@H](C(=O)Nc1ccc2ccccc2c1)[*:1]
C[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccc2ccccc2c1 Nc1nc(n[nH]1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc2ccccc2c1
CCOC(=O)C1CCN(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)CC1 CC(C)[*:1] CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](c1nc(no1)C1CC1)[*:1]
CCOC(=O)C1CCN(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)CC1 CCOC(=O)[*:1] CC(C)[C@@H](NC(=O)N1CCC(CC1)[*:1])c1nc(no1)C1CC1
CCOC(=O)C1CCN(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)CC1 C1CC1[*:1] CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](c1nc(no1)[*:1])C(C)C
CCOC(=O)C1CCN(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)CC1 C1CC1c1noc(n1)[*:1] CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](C(C)C)[*:1]
CN(C)C(=O)SN(C(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)SN(C(=O)[*:1])c1ccccc1
CN(C)C(=O)SN(C(=O)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CN(C)C(=O)SN(C(=O)c1ccccc1)[*:1]
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccno3)[C@H]4C2=O)c1 c1cc(on1)[*:1] COc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)C[*:1])[C@H]3C1=O
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccno3)[C@H]4C2=O)c1 COc1cccc(c1)C[*:1] CN(Cc1ccno1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@H]13)[*:1])O2
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccno3)[C@H]4C2=O)c1 c1cc(C[*:1])on1 COc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)[*:1])[C@H]3C1=O
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccno3)[C@H]4C2=O)c1 COc1cccc(c1)[*:1] CN(Cc1ccno1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C[*:1])C(=O)[C@H]13)O2
COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccno3)[C@H]4C2=O)c1 CN(Cc1ccno1)C(=O)[*:1] COc1cccc(c1)CN1C[C@]23C=C[C@H](O2)[C@H]([C@H]3C1=O)[*:1]
Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 Cc1ccc(cc1)[*:1] Cc1nc(c(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1)[*:1]
O=C(NCCCN1CCCCCC1=O)Nc1ccccc1N1CCCC1 O=C1CCCCCN1[*:1] O=C(NCCC[*:1])Nc1ccccc1N1CCCC1
O=C(NCCCN1CCCCCC1=O)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] O=C(NCCCN1CCCCCC1=O)Nc1ccccc1[*:1]
C[C@@H](CCCO)NC(=O)c1ccc(-c2nnco2)cc1 OCC[*:1] C[C@@H](C[*:1])NC(=O)c1ccc(cc1)-c1nnco1
C[C@@H](CCCO)NC(=O)c1ccc(-c2nnco2)cc1 c1nnc(o1)[*:1] C[C@@H](CCCO)NC(=O)c1ccc(cc1)[*:1]
C[C@@H](CCCO)NC(=O)c1ccc(-c2nnco2)cc1 C[C@@H](CCCO)[*:1] O=C(N[*:1])c1ccc(cc1)-c1nnco1
C[C@@H](CCCO)NC(=O)c1ccc(-c2nnco2)cc1 OCCC[*:1] C[C@@H](NC(=O)c1ccc(cc1)-c1nnco1)[*:1]
Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)NC[C@H]1CCCO1
Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1ccc(Cl)cc1 C1CO[C@H](C1)C[*:1] Cc1c(nnn1-c1ccc(Cl)cc1)C(=O)N[*:1]
Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1ccc(Cl)cc1 C1CO[C@H](C1)[*:1] Cc1c(nnn1-c1ccc(Cl)cc1)C(=O)NC[*:1]
Cc1ccc(CC(=O)N2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)CC(=O)N1CCC[C@H](C1)c1nnsc1[*:1]
Cc1ccc(CC(=O)N2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)c1snnc1[C@@H]1CCCN(C1)C(=O)C[*:1]
Cc1ccc(CC(=O)N2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)cc1 Cc1ccc(cc1)C[*:1] CS(=O)(=O)c1snnc1[C@@H]1CCCN(C1)C(=O)[*:1]
C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1N(C)C O=C1CCCN1[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1ccccc1N(C)C
C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1N(C)C CN(C)[*:1] C[C@@H]([NH2+]Cc1ccc(cc1)N1CCCC1=O)c1ccccc1[*:1]
COc1ccc(S(=O)(=O)N(C)C(=O)CC2CCC2)cc1 C1CC(C1)[*:1] COc1ccc(cc1)S(=O)(=O)N(C)C(=O)C[*:1]
COc1ccc(S(=O)(=O)N(C)C(=O)CC2CCC2)cc1 C1CC(C1)C[*:1] COc1ccc(cc1)S(=O)(=O)N(C)C(=O)[*:1]
CC(C)Oc1ccc(-c2noc(C(=O)NC[C@H](O)c3ccccc3)n2)cc1 CC(C)[*:1] O=C(NC[C@H](O)c1ccccc1)c1nc(no1)-c1ccc(cc1)O[*:1]
CC(C)Oc1ccc(-c2noc(C(=O)NC[C@H](O)c3ccccc3)n2)cc1 O[C@@H](C[*:1])c1ccccc1 CC(C)Oc1ccc(cc1)-c1noc(n1)C(=O)N[*:1]
CC(C)Oc1ccc(-c2noc(C(=O)NC[C@H](O)c3ccccc3)n2)cc1 O[C@H](c1ccccc1)[*:1] CC(C)Oc1ccc(cc1)-c1noc(n1)C(=O)NC[*:1]
CC(C)Oc1ccc(-c2noc(C(=O)NC[C@H](O)c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] CC(C)Oc1ccc(cc1)-c1noc(n1)C(=O)NC[C@H](O)[*:1]
CC(C)Oc1ccc(-c2noc(C(=O)NC[C@H](O)c3ccccc3)n2)cc1 CC(C)O[*:1] O=C(NC[C@H](O)c1ccccc1)c1nc(no1)-c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(CCNC(=O)Nc2cnc3[nH]nc(C)c3c2)cc1 CC(=O)N[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NCCc1ccc(cc1)[*:1]
C[C@H](CCc1ccccc1F)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](CCc1ccccc1F)[*:1]
O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1c2CSCc2nn1-c1cccc(Cl)c1)[*:1]
O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccccc1 Clc1cccc(c1)[*:1] O=C(Nc1c2CSCc2nn1[*:1])c1ccccc1
C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@@H](NC(=O)N1CCC(CC1)C(N)=O)c1cccc(c1)O[*:1]
C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@@H](NC(=O)N1CCC(CC1)C(N)=O)c1cccc(c1)[*:1]
C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1cccc(OC(F)F)c1 NC(=O)[*:1] C[C@@H](NC(=O)N1CCC(CC1)[*:1])c1cccc(c1)OC(F)F
Cc1cc(OCC(=O)NOCC(N)=O)cc(C)c1Cl NC(=O)C[*:1] Cc1cc(cc(C)c1Cl)OCC(=O)NO[*:1]
Cc1cc(OCC(=O)NOCC(N)=O)cc(C)c1Cl NC(=O)[*:1] Cc1cc(cc(C)c1Cl)OCC(=O)NOC[*:1]
C=CCn1c(C)nnc1SCC(=O)c1c(C)cc(C)cc1C C=CC[*:1] Cc1cc(C)c(C(=O)CSc2nnc(C)n2[*:1])c(C)c1
COC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CC[C@H](C)C2 C1CN(CCO1)C[*:1] COC(=O)c1c(NC(=O)[*:1])sc2C[C@@H](C)CCc21
COC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CC[C@H](C)C2 COC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)CN1CCOCC1)c2[*:1]
COC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CC[C@H](C)C2 C1CN(CCO1)[*:1] COC(=O)c1c(NC(=O)C[*:1])sc2C[C@@H](C)CCc21
C=C(C)Cc1cccc(F)c1 C=C(C)[*:1] Fc1cccc(c1)C[*:1]
COc1cccc(OC)c1C(=O)NCCOc1ccccc1Cl Clc1ccccc1[*:1] COc1cccc(OC)c1C(=O)NCCO[*:1]
C[C@H](CNC(=O)CCc1ccc2c(c1)OCO2)Oc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](CNC(=O)CCc1ccc2OCOc2c1)O[*:1]
C[C@H](CNC(=O)CCc1ccc2c(c1)OCO2)Oc1ccc(F)cc1 Fc1ccc(cc1)O[*:1] C[C@H](CNC(=O)CCc1ccc2OCOc2c1)[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CN1Cc2ccc(F)cc2C1=O CC(C)(C)[*:1] C[C@@H]1CN(CCN1CN1Cc2ccc(F)cc2C1=O)C(=O)O[*:1]
CCC(C)(C)[NH2+]Cc1c([O-])on[n+]1-c1ccc(OC)cc1 CCC(C)(C)[*:1] COc1ccc(cc1)-[n+]1noc([O-])c1C[NH2+][*:1]
Cc1ccc([C@H](C)OC(=O)[C@@H](C(C)C)N2CCCC2=O)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@H](C)OC(=O)[C@@H](N1CCCC1=O)[*:1]
Cc1ccc([C@H](C)OC(=O)[C@@H](C(C)C)N2CCCC2=O)cc1 O=C1CCCN1[*:1] Cc1ccc(cc1)[C@H](C)OC(=O)[C@@H](C(C)C)[*:1]
Cc1ccc([C@H](C)OC(=O)[C@@H](C(C)C)N2CCCC2=O)cc1 Cc1ccc(cc1)[*:1] CC(C)[C@H](C(=O)O[C@@H](C)[*:1])N1CCCC1=O
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 CC(C)[*:1] O=C(Nc1nc2CCN(Cc2s1)C(=O)c1ccc(cc1)C(F)(F)F)N[*:1]
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 CC(C)NC(=O)N[*:1] O=C(c1ccc(cc1)C(F)(F)F)N1CCc2nc(sc2C1)[*:1]
CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 FC(F)(F)[*:1] CC(C)NC(=O)Nc1nc2CCN(Cc2s1)C(=O)c1ccc(cc1)[*:1]
COc1cc([N+](=O)[O-])cc(C(=O)Cl)c1OC(F)F O=[N+]([O-])[*:1] COc1cc(cc(C(=O)Cl)c1OC(F)F)[*:1]
COc1cc([N+](=O)[O-])cc(C(=O)Cl)c1OC(F)F FC(F)[*:1] COc1cc(cc(C(=O)Cl)c1O[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])cc(C(=O)Cl)c1OC(F)F O=C(Cl)[*:1] COc1cc(cc(c1OC(F)F)[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])cc(C(=O)Cl)c1OC(F)F FC(F)O[*:1] COc1cc(cc(C(=O)Cl)c1[*:1])[N+](=O)[O-]
CC[NH2+][C@@H](Cc1ccccn1)c1ccc(SC)cc1 c1ccc(nc1)[*:1] CC[NH2+][C@@H](C[*:1])c1ccc(cc1)SC
COCCCN1C[C@@]2(CCCN(c3noc(C4CC4)n3)C2)CCC1=O COCC[*:1] O=C1CC[C@]2(CCCN(C2)c2noc(n2)C2CC2)CN1C[*:1]
COCCCN1C[C@@]2(CCCN(c3noc(C4CC4)n3)C2)CCC1=O COCCC[*:1] O=C1CC[C@]2(CCCN(C2)c2noc(n2)C2CC2)CN1[*:1]
COCCCN1C[C@@]2(CCCN(c3noc(C4CC4)n3)C2)CCC1=O C1CC1[*:1] COCCCN1C[C@@]2(CCCN(C2)c2noc(n2)[*:1])CCC1=O
COCCCN1C[C@@]2(CCCN(c3noc(C4CC4)n3)C2)CCC1=O COC[*:1] O=C1CC[C@]2(CCCN(C2)c2noc(n2)C2CC2)CN1CC[*:1]
COCCCN1C[C@@]2(CCCN(c3noc(C4CC4)n3)C2)CCC1=O C1CC1c1nc(no1)[*:1] COCCCN1C[C@@]2(CCCN(C2)[*:1])CCC1=O
Cc1sc(Br)cc1S(=O)(=O)N(C)CCC#N N#CC[*:1] Cc1sc(Br)cc1S(=O)(=O)N(C)C[*:1]
Cc1sc(Br)cc1S(=O)(=O)N(C)CCC#N N#CCC[*:1] Cc1sc(Br)cc1S(=O)(=O)N(C)[*:1]
Cc1cc(CS(=O)(=O)CC(=O)N2[C@@H](C)CCC[C@H]2C)on1 Cc1cc(on1)[*:1] C[C@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)C[*:1]
Cc1cc(CS(=O)(=O)CC(=O)N2[C@@H](C)CCC[C@H]2C)on1 Cc1cc(C[*:1])on1 C[C@H]1CCC[C@@H](C)N1C(=O)CS(=O)(=O)[*:1]
COC(=O)c1ccc(C)cc1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 COC(=O)[*:1] Cc1ccc(c(c1)NC(=O)NCc1cc[nH+]c(c1)N1CCSCC1)[*:1]
COC(=O)c1ccc(C)cc1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 C1CN(CCS1)[*:1] COC(=O)c1ccc(C)cc1NC(=O)NCc1cc[nH+]c(c1)[*:1]
NS(=O)(=O)c1ccc2nc(NC(=O)CSc3ccc4ccccc4n3)sc2c1 NS(=O)(=O)[*:1] O=C(CSc1ccc2ccccc2n1)Nc1nc2ccc(cc2s1)[*:1]
CC(C)(C)c1ccc(OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 CC(C)(C)[*:1] O=C(COc1ccc(cc1)[*:1])N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1
Cc1cc(CCC(=O)Nc2c(C(N)=O)n[nH]c2C)ccc1Br NC(=O)[*:1] Cc1cc(ccc1Br)CCC(=O)Nc1c(n[nH]c1C)[*:1]
CC(C)[C@H](CO)[NH2+][C@H](C)C(=O)NC(C)(C)C CC(C)(C)[*:1] CC(C)[C@H](CO)[NH2+][C@H](C)C(=O)N[*:1]
CC(C)[C@H](CO)[NH2+][C@H](C)C(=O)NC(C)(C)C CC(C)[*:1] C[C@@H]([NH2+][C@@H](CO)[*:1])C(=O)NC(C)(C)C
C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)CSc2ncccn2)C1 c1cnc(nc1)S[*:1] C[NH+](C)CCn1ccnc1[C@H]1CCCN(C1)C(=O)C[*:1]
C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)CSc2ncccn2)C1 c1cnc(nc1)SC[*:1] C[NH+](C)CCn1ccnc1[C@H]1CCCN(C1)C(=O)[*:1]
C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)CSc2ncccn2)C1 c1cnc(nc1)[*:1] C[NH+](C)CCn1ccnc1[C@H]1CCCN(C1)C(=O)CS[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)c1 O=C(N[*:1])c1ccccc1F Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(NCC(=O)N1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1F
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)c1 Fc1ccccc1[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)[*:1]
CCOC(=O)CCC(=O)N1CCC[C@H](c2nncn2C)C1 CCOC(=O)C[*:1] Cn1cnnc1[C@H]1CCCN(C1)C(=O)C[*:1]
CCOC(=O)CCC(=O)N1CCC[C@H](c2nncn2C)C1 Cn1cnnc1[*:1] CCOC(=O)CCC(=O)N1CCC[C@H](C1)[*:1]
CCOC(=O)CCC(=O)N1CCC[C@H](c2nncn2C)C1 CCOC(=O)[*:1] Cn1cnnc1[C@H]1CCCN(C1)C(=O)CC[*:1]
CCOC(=O)CCC(=O)N1CCC[C@H](c2nncn2C)C1 CCOC(=O)CC[*:1] Cn1cnnc1[C@H]1CCCN(C1)C(=O)[*:1]
CCN(CC)C(=O)[C@@H]1CSCN1C(=O)/C=C/c1cnc(C)s1 Cc1ncc(s1)[*:1] CCN(CC)C(=O)[C@@H]1CSCN1C(=O)C=C[*:1]
CCN(CC)C(=O)[C@@H]1CSCN1C(=O)/C=C/c1cnc(C)s1 CCN(CC)C(=O)[*:1] Cc1ncc(/C=C/C(=O)N2CSC[C@H]2[*:1])s1
Cc1ccc(CNC(=O)[C@H](C)n2nc(-c3ccccc3)ccc2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](C(=O)NC[*:1])n1nc(ccc1=O)-c1ccccc1
Cc1ccc(CNC(=O)[C@H](C)n2nc(-c3ccccc3)ccc2=O)cc1 Cc1ccc(cc1)C[*:1] C[C@@H](C(=O)N[*:1])n1nc(ccc1=O)-c1ccccc1
Cc1ccc(CNC(=O)[C@H](C)n2nc(-c3ccccc3)ccc2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)[C@H](C)n1nc(ccc1=O)[*:1]
C[NH+](C)Cc1ccc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1 c1ncn(C[*:1])n1 C[NH+](C)Cc1ccc(cc1)C(=O)N[C@H](c1ccccc1)[*:1]
C[NH+](C)Cc1ccc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1 c1ccc(cc1)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)N[C@H](Cn1cncn1)[*:1]
C[NH+](C)Cc1ccc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1 c1ncn(n1)[*:1] C[NH+](C)Cc1ccc(cc1)C(=O)N[C@H](C[*:1])c1ccccc1
CCCC(CCC)S(=O)(=O)Cc1nnc(C)n1C CCC[*:1] CCCC(S(=O)(=O)Cc1nnc(C)n1C)[*:1]
COc1ccc(C(=O)CC(C)=O)cc1OC CC(=O)[*:1] COc1ccc(cc1OC)C(=O)C[*:1]
COc1ccc(C(=O)CC(C)=O)cc1OC CC(=O)C[*:1] COc1ccc(cc1OC)C(=O)[*:1]
CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C[*:1]
COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2c(C)noc2C)cc1 Cc1noc(C)c1[*:1] COc1ccc(cc1)O[C@H](C)C(=O)N[C@@H](C)[*:1]
COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(C)cc2Br)c1 Cc1ccc(c(Br)c1)[*:1] COc1ccc(OC)c(/C=N/NC(=O)CO[*:1])c1
Cc1nccc(N2CCC(Oc3ccc4c(c3)OCO4)(C(=O)[O-])CC2)n1 O=C([O-])[*:1] Cc1nccc(n1)N1CCC(CC1)(Oc1ccc2OCOc2c1)[*:1]
Cc1nccc(N2CCC(Oc3ccc4c(c3)OCO4)(C(=O)[O-])CC2)n1 Cc1nccc(n1)[*:1] O=C([O-])C1(CCN(CC1)[*:1])Oc1ccc2OCOc2c1
COc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1 C1CC1c1nc(no1)[*:1] COc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1 C1CC1[*:1] COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1noc(n1)[*:1]
COc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)-c1noc(n1)C1CC1)[*:1]
C[NH+](C)Cc1cccc(CNC(=O)C[C@H]2CCS(=O)(=O)C2)c1 O=S1(=O)CC[C@@H](C1)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)C[*:1]
CC(C)Oc1cccc2c1c(NC(=O)N1CC[NH+](C)CC1)nn2-c1ccc(F)cc1 CC(C)O[*:1] C[NH+]1CCN(CC1)C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(c12)[*:1]
CC(C)Oc1cccc2c1c(NC(=O)N1CC[NH+](C)CC1)nn2-c1ccc(F)cc1 CC(C)[*:1] C[NH+]1CCN(CC1)C(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(O[*:1])c12
CC(C)Oc1cccc2c1c(NC(=O)N1CC[NH+](C)CC1)nn2-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)Oc1cccc2c1c(nn2[*:1])NC(=O)N1CC[NH+](C)CC1
CCN(CC)C(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)c(Br)c1 CCN(CC)C(=O)[*:1] COc1ccc(cc1Br)[C@H]1Nn2c(C)nnc2S[C@@H]1[*:1]
O=[S@@](CCCc1ccccc1)Cc1cccc(F)c1 c1ccc(cc1)[*:1] O=[S@@](CCC[*:1])Cc1cccc(F)c1
O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCS(=O)(=O)CC1 O=[N+]([O-])[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])N1CCS(=O)(=O)CC1
CC[S@@](=O)CCC(=O)N1[C@H]2CC[C@@H]1CN(C)C(=O)C2 CC[S@@](=O)[*:1] CN1C[C@H]2CC[C@@H](CC1=O)N2C(=O)CC[*:1]
CC[S@@](=O)CCC(=O)N1[C@H]2CC[C@@H]1CN(C)C(=O)C2 CC[S@@](=O)C[*:1] CN1C[C@H]2CC[C@@H](CC1=O)N2C(=O)C[*:1]
CC[S@@](=O)CCC(=O)N1[C@H]2CC[C@@H]1CN(C)C(=O)C2 CC[S@@](=O)CC[*:1] CN1C[C@H]2CC[C@@H](CC1=O)N2C(=O)[*:1]
COC(=O)[C@]1(N)CC[C@H](Sc2cccc(Br)c2)C1 COC(=O)[*:1] N[C@@]1(CC[C@@H](C1)Sc1cccc(Br)c1)[*:1]
CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 O=[N+]([O-])[*:1] CCCc1cc(=O)[nH]c(n1)S[C@@H](C)C(=O)Nc1cc(ccc1Cl)[*:1]
CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 CCC[*:1] C[C@H](Sc1nc(cc(=O)[nH]1)[*:1])C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]
CCCCCC[C@@H](C)NC(=O)c1c(F)ccc(N)c1F CCCCC[*:1] C[C@H](C[*:1])NC(=O)c1c(F)ccc(N)c1F
CCCCCC[C@@H](C)NC(=O)c1c(F)ccc(N)c1F CCCC[*:1] C[C@H](CC[*:1])NC(=O)c1c(F)ccc(N)c1F
CCCCCC[C@@H](C)NC(=O)c1c(F)ccc(N)c1F CCCCCC[*:1] C[C@@H](NC(=O)c1c(F)ccc(N)c1F)[*:1]
CCCCCC[C@@H](C)NC(=O)c1c(F)ccc(N)c1F CCC[*:1] C[C@H](CCC[*:1])NC(=O)c1c(F)ccc(N)c1F
CCc1ccc([C@@H](CNC(=O)c2cnn(C)c2C2CC2)[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] Cn1ncc(C(=O)NC[C@@H]([NH+](C)C)[*:1])c1C1CC1
CCc1ccc([C@@H](CNC(=O)c2cnn(C)c2C2CC2)[NH+](C)C)cc1 C1CC1[*:1] CCc1ccc(cc1)[C@@H](CNC(=O)c1cnn(C)c1[*:1])[NH+](C)C
CCOCCNC(=O)N1CCN(C(=O)c2ccc(CC)cc2)CC1 CCOC[*:1] CCc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)NC[*:1]
CCOCCNC(=O)N1CCN(C(=O)c2ccc(CC)cc2)CC1 CCOCC[*:1] CCc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N[*:1]
CCOCCNC(=O)N1CCN(C(=O)c2ccc(CC)cc2)CC1 CCO[*:1] CCc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)NCC[*:1]
CCOCCNC(=O)N1CCN(C(=O)c2ccc(CC)cc2)CC1 CCc1ccc(cc1)[*:1] CCOCCNC(=O)N1CCN(CC1)C(=O)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)N[C@H](C)COc2cccc(C)c2)C1 CC(=O)NC[*:1] Cc1cccc(c1)OC[C@@H](C)NC(=O)N1CCC[C@H](C1)[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)N[C@H](C)COc2cccc(C)c2)C1 Cc1cccc(c1)O[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)N[C@H](C)C[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)N[C@H](C)COc2cccc(C)c2)C1 Cc1cccc(c1)[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)N[C@H](C)CO[*:1]
CC(=O)NC[C@@H]1CCCN(C(=O)N[C@H](C)COc2cccc(C)c2)C1 CC(=O)N[*:1] Cc1cccc(c1)OC[C@@H](C)NC(=O)N1CCC[C@H](C1)C[*:1]
CCc1cc(NC(=O)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n(C)n1 CCc1cc(n(C)n1)[*:1] C[C@@H](NC(=O)C(=O)N[*:1])c1ccc2CCCCc2c1
CC(C)C(=O)NC[C@H]1CCCN(c2ccc(Cl)c(C#N)n2)C1 CC(C)[*:1] N#Cc1nc(ccc1Cl)N1CCC[C@H](CNC(=O)[*:1])C1
CC(C)C(=O)NC[C@H]1CCCN(c2ccc(Cl)c(C#N)n2)C1 CC(C)C(=O)N[*:1] N#Cc1nc(ccc1Cl)N1CCC[C@@H](C1)C[*:1]
CC(C)C(=O)NC[C@H]1CCCN(c2ccc(Cl)c(C#N)n2)C1 CC(C)C(=O)NC[*:1] N#Cc1nc(ccc1Cl)N1CCC[C@@H](C1)[*:1]
CCN(C(=O)c1nc[nH]n1)[C@@H](C)COC COC[C@H](C)[*:1] CCN(C(=O)c1nc[nH]n1)[*:1]
CCN(C(=O)c1nc[nH]n1)[C@@H](C)COC c1nc(n[nH]1)[*:1] CCN(C(=O)[*:1])[C@@H](C)COC
CCN(C(=O)c1nc[nH]n1)[C@@H](C)COC COC[*:1] CCN(C(=O)c1nc[nH]n1)[C@@H](C)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1NC(=O)CC12CC3CC(CC(C3)C1)C2)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)CC12CC3CC(CC(C3)C1)C2
O=C(NCCc1ccco1)c1ccc(Br)nc1 c1coc(c1)[*:1] O=C(NCC[*:1])c1ccc(Br)nc1
[NH3+][C@H]1C=C[C@@H](C(=O)NC2(CC(=O)[O-])CCC2)C1 O=C([O-])C[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)NC1(CCC1)[*:1]
[NH3+][C@H]1C=C[C@@H](C(=O)NC2(CC(=O)[O-])CCC2)C1 O=C([O-])[*:1] [NH3+][C@H]1C=C[C@H](C1)C(=O)NC1(CCC1)C[*:1]
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCn1ccnn1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1NC(=O)CCCn1ccnn1)[*:1]
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCn1ccnn1 c1cn(CC[*:1])nn1 Cc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N1CCCCC1
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCn1ccnn1 c1cn(nn1)[*:1] Cc1ccc(cc1NC(=O)CCC[*:1])S(=O)(=O)N1CCCCC1
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCn1ccnn1 c1cn(CCC[*:1])nn1 Cc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCCCC1
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 Cc1ccc(cc1NC(=O)CC[*:1])S(=O)(=O)N1CCCCC1
C[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(cc1)[*:1]
Oc1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 Oc1cccc(c1)[*:1] c1ccc(cc1)C[NH+]1CCN(CC1)C[*:1]
Oc1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] Oc1cccc(c1)CN1CC[NH+](CC1)[*:1]
Oc1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Oc1cccc(c1)CN1CC[NH+](CC1)C[*:1]
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(-c4ccccc4)no3)cc2[nH]1 c1ccc(cc1)[*:1] O=c1[nH]c2ccc(cc2[nH]1)S(=O)(=O)[N-]c1cc(no1)[*:1]
C[NH+](Cc1[nH]nc2c1CCCCC2)Cc1cccn1-c1ncccn1 c1cnc(nc1)[*:1] C[NH+](Cc1[nH]nc2CCCCCc21)Cc1cccn1[*:1]
C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)[*:1]
COc1cccc([C@@H](C)CC(=O)[C@@H](C#N)c2ccc(F)cn2)c1 Fc1ccc(nc1)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)[C@@H](C#N)[*:1]
COC(=O)c1ccc(C)c(NC(=O)/C=C/c2cnc3ccccc3n2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)/C=C/c1cnc2ccccc2n1)[*:1]
O=C(C[NH+]1CCCC1)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(C[NH+]1CCCC1)N1CCC(CC1)c1n[nH]cc1[*:1]
CC(C)(C)C(=O)NNC(=O)NCc1cccc([N+]2=CCCC2)c1 CC(C)(C)[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)NNC(=O)[*:1]
O=C(NCC1(O)CCSCC1)N[C@@H]1CCC[C@H](C2CC2)C1 OC1(CCSCC1)[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@@H](C1)C1CC1
O=C(NCC1(O)CCSCC1)N[C@@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] O=C(NCC1(O)CCSCC1)N[C@@H]1CCC[C@H](C1)[*:1]
O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(c2cnc3ccccc3n2)C1 Fc1cc(Br)ccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1cnc2ccccc2n1
CC(C)[C@@H](NC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccn1 CC(C)[*:1] C[C@@H]1C[C@@H](C)C[NH+](C1)C[C@@H](C)NC(=O)N[C@@H](c1ccccn1)[*:1]
CC(C)[C@@H](NC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)[*:1]
CC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C CC(=O)N[*:1] CC(C)CN1C(=O)CCc2cc(ccc21)[*:1]
CC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C CC(C)[*:1] CC(=O)Nc1ccc2c(c1)CCC(=O)N2C[*:1]
CC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C CC(C)C[*:1] CC(=O)Nc1ccc2c(c1)CCC(=O)N2[*:1]
O=C(NC1=NCCS1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 Clc1ccc(cc1)[*:1] O=C(NC1=NCCS1)c1cc(nc2ccccc12)[*:1]
COCCn1c(C)cc(CN2CCO[C@H](c3cccc(OC)c3)C2)c1C COCC[*:1] COc1cccc(c1)[C@@H]1CN(CCO1)Cc1cc(C)n(c1C)[*:1]
COCCn1c(C)cc(CN2CCO[C@H](c3cccc(OC)c3)C2)c1C COc1cccc(c1)[*:1] COCCn1c(C)cc(CN2CCO[C@H](C2)[*:1])c1C
COCCn1c(C)cc(CN2CCO[C@H](c3cccc(OC)c3)C2)c1C COC[*:1] COc1cccc(c1)[C@@H]1CN(CCO1)Cc1cc(C)n(C[*:1])c1C
CC(=O)Nc1cccc(NC(=O)Nc2ccc(C(C)=O)cc2)c1 CC(=O)[*:1] CC(=O)Nc1cccc(c1)NC(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1cccc(NC(=O)Nc2ccc(C(C)=O)cc2)c1 CC(=O)N[*:1] CC(=O)c1ccc(cc1)NC(=O)Nc1cccc(c1)[*:1]
C[C@H](O)CCC(=O)N[C@H](C)c1ccccn1 C[C@H](O)CC[*:1] C[C@@H](NC(=O)[*:1])c1ccccn1
C[C@H](O)CCC(=O)N[C@H](C)c1ccccn1 C[C@H](O)C[*:1] C[C@@H](NC(=O)C[*:1])c1ccccn1
C[C@H](O)CCC(=O)N[C@H](C)c1ccccn1 C[C@H](O)[*:1] C[C@@H](NC(=O)CC[*:1])c1ccccn1
COc1ccc([C@@H](NC(N)=O)c2cc3c(cc2OC(C)=O)OCO3)cc1 NC(=O)N[*:1] COc1ccc(cc1)[C@@H](c1cc2OCOc2cc1OC(C)=O)[*:1]
COc1ccc([C@@H](NC(N)=O)c2cc3c(cc2OC(C)=O)OCO3)cc1 COc1ccc(cc1)[*:1] CC(=O)Oc1cc2OCOc2cc1[C@H](NC(N)=O)[*:1]
COc1ccc([C@@H](NC(N)=O)c2cc3c(cc2OC(C)=O)OCO3)cc1 CC(=O)O[*:1] COc1ccc(cc1)[C@@H](NC(N)=O)c1cc2OCOc2cc1[*:1]
Cc1cc(C)c2c(c1)N(C(=O)NC(C)C)CCC2 CC(C)[*:1] Cc1cc(C)c2CCCN(C(=O)N[*:1])c2c1
Cc1cc(C)c(C(=O)NC[C@H](c2cccnc2)C(C)C)c(C)c1 c1cncc(c1)[*:1] Cc1cc(C)c(C(=O)NC[C@H](C(C)C)[*:1])c(C)c1
Cc1cc(C)c(C(=O)NC[C@H](c2cccnc2)C(C)C)c(C)c1 CC(C)[*:1] Cc1cc(C)c(C(=O)NC[C@H](c2cccnc2)[*:1])c(C)c1
CCOC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3cc(C)on3)CC2)C1 Cc1cc(C[*:1])no1 CCOC(=O)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
CCOC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3cc(C)on3)CC2)C1 Cc1cc(no1)[*:1] CCOC(=O)N1CCC[C@H](C1)C(=O)N1CCN(CC1)C[*:1]
COc1ccc(F)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(F)cc1NC(=O)c1cc(Cl)cc(c1)[*:1]
CC(C)COCCCNC(=O)N1C[C@@H](C)c2ccccc21 CC(C)C[*:1] C[C@@H]1CN(C(=O)NCCCO[*:1])c2ccccc21
CC(C)COCCCNC(=O)N1C[C@@H](C)c2ccccc21 CC(C)COC[*:1] C[C@@H]1CN(C(=O)NCC[*:1])c2ccccc21
CC(C)COCCCNC(=O)N1C[C@@H](C)c2ccccc21 CC(C)CO[*:1] C[C@@H]1CN(C(=O)NCCC[*:1])c2ccccc21
CC(C)COCCCNC(=O)N1C[C@@H](C)c2ccccc21 CC(C)COCC[*:1] C[C@@H]1CN(C(=O)NC[*:1])c2ccccc21
CC(C)COCCCNC(=O)N1C[C@@H](C)c2ccccc21 CC(C)[*:1] C[C@@H]1CN(C(=O)NCCCOC[*:1])c2ccccc21
Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3cc(C)ccc3C)c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)-n1c(sc(=C[*:1])c1=O)=C(C#N)C#N
Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3cc(C)ccc3C)c2=O)cc1 Cc1ccc(C)c(c1)[*:1] Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(c2=O)[*:1])cc1
COc1ccc(F)cc1-c1cc(C(=O)[O-])n(C)n1 O=C([O-])[*:1] COc1ccc(F)cc1-c1cc(n(C)n1)[*:1]
COCC1=C[C@@H]([C@@H]2N=C3CC(C)(C)CNC(=O)[C@@H]3N2)N=N1 COC[*:1] CC1(C)CNC(=O)[C@@H]2N[C@@H](N=C2C1)[C@@H]1C=C(N=N1)[*:1]
C[C@H](NC(=O)NCc1ccsc1)c1nncn1C c1cc(cs1)C[*:1] C[C@H](NC(=O)N[*:1])c1nncn1C
C[C@H](NC(=O)NCc1ccsc1)c1nncn1C c1cc(cs1)[*:1] C[C@H](NC(=O)NC[*:1])c1nncn1C
C[C@H](NC(=O)NCc1ccsc1)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)NCc1ccsc1)[*:1]
O=C1NCCN(C(=O)[C@@H]2CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C1NCCN(C(=O)[C@@H]2CCCOC2)[C@@H]1c1ccc(cc1)[*:1]
O=C1NCCN(C(=O)[C@@H]2CCCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 C1COC[C@@H](C1)[*:1] O=C1NCCN(C(=O)[*:1])[C@@H]1c1ccc(cc1)C(F)(F)F
CC(C)CCN(CC(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1 CC(C)CC[*:1] O=C(CN(C(=O)c1cccc(Cl)c1)[*:1])N1CCNCC1
CC(C)CCN(CC(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1 CC(C)C[*:1] O=C(CN(C[*:1])C(=O)c1cccc(Cl)c1)N1CCNCC1
CC(C)CCN(CC(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)CCN(CC(=O)N1CCNCC1)C(=O)[*:1]
CC(C)CCN(CC(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1 CC(C)[*:1] O=C(CN(CC[*:1])C(=O)c1cccc(Cl)c1)N1CCNCC1
CC(C)CCN(CC(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1 O=C(N1CCNCC1)[*:1] CC(C)CCN(C[*:1])C(=O)c1cccc(Cl)c1
COCCn1nc(C)c(NC(=O)Nc2cc(-n3cccc3)ccc2F)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)Nc1cc(ccc1F)-n1cccc1
COCCn1nc(C)c(NC(=O)Nc2cc(-n3cccc3)ccc2F)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)Nc1cc(ccc1F)-n1cccc1)[*:1]
COCCn1nc(C)c(NC(=O)Nc2cc(-n3cccc3)ccc2F)c1C c1ccn(c1)[*:1] COCCn1nc(C)c(NC(=O)Nc2cc(ccc2F)[*:1])c1C
C[C@H](Cl)c1nnc(C[C@H]2CCCCO2)o1 C[C@H](Cl)[*:1] C1CC[C@H](Cc2nnc(o2)[*:1])OC1
CC(C)[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)[*:1]
CC[C@@H]([NH3+])Cc1cc(Cl)ccc1OCc1ccc(O)cc1 Oc1ccc(cc1)[*:1] CC[C@@H]([NH3+])Cc1cc(Cl)ccc1OC[*:1]
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)CCC(=O)[O-])C2 O=C([O-])C[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)NC(=O)C[*:1]
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)CCC(=O)[O-])C2 O=C([O-])CC[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)NC(=O)[*:1]
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)CCC(=O)[O-])C2 O=C([O-])[*:1] CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)NC(=O)CC[*:1]
C[C@@](O)(CNC(=O)Cc1cccc(O)c1)C1CCCC1 C1CCC(C1)[*:1] C[C@@](O)(CNC(=O)Cc1cccc(O)c1)[*:1]
Cc1noc(CCNC(=O)C(=O)Nc2cc(F)ccc2OC(C)C)n1 Cc1noc(n1)[*:1] CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NCC[*:1]
Cc1noc(CCNC(=O)C(=O)Nc2cc(F)ccc2OC(C)C)n1 CC(C)[*:1] Cc1noc(CCNC(=O)C(=O)Nc2cc(F)ccc2O[*:1])n1
Cc1noc(CCNC(=O)C(=O)Nc2cc(F)ccc2OC(C)C)n1 Cc1noc(C[*:1])n1 CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NC[*:1]
Cc1noc(CCNC(=O)C(=O)Nc2cc(F)ccc2OC(C)C)n1 Cc1noc(CC[*:1])n1 CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N[*:1]
Cc1noc(CCNC(=O)C(=O)Nc2cc(F)ccc2OC(C)C)n1 CC(C)O[*:1] Cc1noc(CCNC(=O)C(=O)Nc2cc(F)ccc2[*:1])n1
CSCc1ccnc(N2CCN(CC(=O)NC3CC3)CC2)c1 O=C(NC1CC1)[*:1] CSCc1ccnc(c1)N1CCN(CC1)C[*:1]
CSCc1ccnc(N2CCN(CC(=O)NC3CC3)CC2)c1 C1CC1[*:1] CSCc1ccnc(c1)N1CCN(CC1)CC(=O)N[*:1]
CSCc1ccnc(N2CCN(CC(=O)NC3CC3)CC2)c1 CSC[*:1] O=C(CN1CCN(CC1)c1cc(ccn1)[*:1])NC1CC1
CSCc1ccnc(N2CCN(CC(=O)NC3CC3)CC2)c1 O=C(C[*:1])NC1CC1 CSCc1ccnc(c1)N1CCN(CC1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NC1CC1 O=C(NC1CC1)N[*:1] Cc1nn(Cc2ccccc2)c(C)c1C[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NC1CC1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CNC(=O)NC1CC1)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NC1CC1 c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1CNC(=O)NC1CC1
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NC1CC1 C1CC1[*:1] Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[*:1]
CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cnccn1 CN(C)C(=O)[*:1] O=C(c1cnccn1)N1CCC[C@H]1[*:1]
CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cnccn1 c1cnc(cn1)[*:1] CN(C)C(=O)[C@@H]1CCCN1C(=O)[*:1]
COCCOc1ccc(NC(=O)c2c[nH]nc2-c2ccccc2F)cn1 Fc1ccccc1[*:1] COCCOc1ccc(cn1)NC(=O)c1c[nH]nc1[*:1]
COCCOc1ccc(NC(=O)c2c[nH]nc2-c2ccccc2F)cn1 COCC[*:1] O=C(Nc1ccc(nc1)O[*:1])c1c[nH]nc1-c1ccccc1F
COCCOc1ccc(NC(=O)c2c[nH]nc2-c2ccccc2F)cn1 COCCO[*:1] O=C(Nc1ccc(nc1)[*:1])c1c[nH]nc1-c1ccccc1F
COCCOc1ccc(NC(=O)c2c[nH]nc2-c2ccccc2F)cn1 COC[*:1] O=C(Nc1ccc(nc1)OC[*:1])c1c[nH]nc1-c1ccccc1F
O=C(Cn1ccc2occc2c1=O)C1CCOCC1 C1CC(CCO1)[*:1] O=C(Cn1ccc2occc2c1=O)[*:1]
Cc1c(C(=O)N2CCC(n3cccc3)CC2)oc2c1C(=O)CCC2 c1ccn(c1)[*:1] Cc1c(oc2CCCC(=O)c21)C(=O)N1CCC(CC1)[*:1]
CC(C)c1cc(C(=O)Nc2cccc(Cl)c2F)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])C(=O)Nc1cccc(Cl)c1F
CCOCCOc1ccc2ccccc2c1CO CCOCCO[*:1] OCc1c(ccc2ccccc12)[*:1]
CCOCCOc1ccc2ccccc2c1CO CCO[*:1] OCc1c(ccc2ccccc12)OCC[*:1]
CCOCCOc1ccc2ccccc2c1CO CCOC[*:1] OCc1c(ccc2ccccc12)OC[*:1]
CCOCCOc1ccc2ccccc2c1CO CCOCC[*:1] OCc1c(ccc2ccccc12)O[*:1]
O=C(/C(Cl)=C/NCc1ccccn1)C(F)(F)F FC(F)(F)[*:1] O=C(/C(Cl)=C/NCc1ccccn1)[*:1]
Clc1cc(Cl)cc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c1 C1CN(CCO1)[*:1] Clc1cc(Cl)cc(c1)C[NH2+]Cc1cccc(c1)C[*:1]
Clc1cc(Cl)cc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c1 C1CN(CCO1)C[*:1] Clc1cc(Cl)cc(c1)C[NH2+]Cc1cccc(c1)[*:1]
Clc1cc(Cl)cc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c1 Clc1cc(Cl)cc(c1)[*:1] c1cc(cc(c1)CN1CCOCC1)C[NH2+]C[*:1]
C[C@H](Sc1ccnc(C(=O)[O-])c1)[C@@H](C)O C[C@H]([C@@H](C)O)[*:1] O=C([O-])c1cc(ccn1)S[*:1]
C[C@H](Sc1ccnc(C(=O)[O-])c1)[C@@H](C)O O=C([O-])[*:1] C[C@H](Sc1ccnc(c1)[*:1])[C@@H](C)O
C[C@H](Sc1ccnc(C(=O)[O-])c1)[C@@H](C)O C[C@@H](O)[*:1] C[C@H](Sc1ccnc(c1)C(=O)[O-])[*:1]
C[C@H](C(=O)NCCN1CCOCC1)C1CCN(C(=O)[C@@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1 C1CN(CCO1)[*:1] C[C@H](C(=O)NCC[*:1])C1CCN(CC1)C(=O)[C@@H]1C=c2cc(Cl)ccc2=[NH+]1
C[C@H](C(=O)NCCN1CCOCC1)C1CCN(C(=O)[C@@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1 C1CN(CCO1)C[*:1] C[C@H](C(=O)NC[*:1])C1CCN(CC1)C(=O)[C@@H]1C=c2cc(Cl)ccc2=[NH+]1
C[C@H](C(=O)NCCN1CCOCC1)C1CCN(C(=O)[C@@H]2C=c3cc(Cl)ccc3=[NH+]2)CC1 C1CN(CCO1)CC[*:1] C[C@H](C(=O)N[*:1])C1CCN(CC1)C(=O)[C@@H]1C=c2cc(Cl)ccc2=[NH+]1
Cc1cccc(Nc2nc(NCC[NH+](C)C)nc(N)c2[N+](=O)[O-])c1 Cc1cccc(c1)[*:1] C[NH+](C)CCNc1nc(N)c(c(n1)N[*:1])[N+](=O)[O-]
Cc1cccc(Nc2nc(NCC[NH+](C)C)nc(N)c2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cccc(c1)Nc1nc(nc(N)c1[*:1])NCC[NH+](C)C
Cc1cccc(Nc2nc(NCC[NH+](C)C)nc(N)c2[N+](=O)[O-])c1 Cc1cccc(c1)N[*:1] C[NH+](C)CCNc1nc(N)c(c(n1)[*:1])[N+](=O)[O-]
CCCNC(=O)CN(CCC)C(=O)c1cc(C)ccc1C CCC[*:1] CCCNC(=O)CN(C(=O)c1cc(C)ccc1C)[*:1]
CCCNC(=O)CN(CCC)C(=O)c1cc(C)ccc1C CCCNC(=O)C[*:1] CCCN(C(=O)c1cc(C)ccc1C)[*:1]
CCCNC(=O)CN(CCC)C(=O)c1cc(C)ccc1C CCCNC(=O)[*:1] CCCN(C[*:1])C(=O)c1cc(C)ccc1C
CCCNC(=O)CN(CCC)C(=O)c1cc(C)ccc1C CCC[*:1] CCCN(CC(=O)N[*:1])C(=O)c1cc(C)ccc1C
C[C@@H](NC(=O)c1occc1Br)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1occc1Br)[C@H](C)[*:1]
C[C@@H](NC(=O)c1occc1Br)[C@H](C)c1ccccc1 Brc1ccoc1[*:1] C[C@@H](NC(=O)[*:1])[C@H](C)c1ccccc1
COC(=O)Cc1c(C)c2cc(Cl)c(OCC(=O)c3ccc(F)cc3)cc2oc1=O O=C(c1ccc(F)cc1)[*:1] COC(=O)Cc1c(C)c2cc(Cl)c(cc2oc1=O)OC[*:1]
COC(=O)Cc1c(C)c2cc(Cl)c(OCC(=O)c3ccc(F)cc3)cc2oc1=O Fc1ccc(cc1)[*:1] COC(=O)Cc1c(C)c2cc(Cl)c(cc2oc1=O)OCC(=O)[*:1]
COC(=O)Cc1c(C)c2cc(Cl)c(OCC(=O)c3ccc(F)cc3)cc2oc1=O COC(=O)C[*:1] Cc1c(c(=O)oc2cc(OCC(=O)c3ccc(F)cc3)c(Cl)cc12)[*:1]
COC(=O)Cc1c(C)c2cc(Cl)c(OCC(=O)c3ccc(F)cc3)cc2oc1=O COC(=O)[*:1] Cc1c(C[*:1])c(=O)oc2cc(OCC(=O)c3ccc(F)cc3)c(Cl)cc12
Cn1c(C[NH+]2CCC(CS(N)(=O)=O)CC2)nnc1-c1ccccc1 NS(=O)(=O)C[*:1] Cn1c(C[NH+]2CCC(CC2)[*:1])nnc1-c1ccccc1
Cn1c(C[NH+]2CCC(CS(N)(=O)=O)CC2)nnc1-c1ccccc1 NS(=O)(=O)[*:1] Cn1c(C[NH+]2CCC(CC2)C[*:1])nnc1-c1ccccc1
Cn1c(C[NH+]2CCC(CS(N)(=O)=O)CC2)nnc1-c1ccccc1 c1ccc(cc1)[*:1] Cn1c(C[NH+]2CCC(CC2)CS(N)(=O)=O)nnc1[*:1]
CC[C@@H](C)[C@](C)(O)CNc1cc(OC)cc(F)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@@H](C)[C@](C)(O)CNc1cc(cc(F)c1[*:1])OC
CC[C@@H](C)[C@](C)(O)CNc1cc(OC)cc(F)c1[N+](=O)[O-] CC[C@@H](C)[*:1] COc1cc(F)c(c(c1)NC[C@](C)(O)[*:1])[N+](=O)[O-]
CCCn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(C)ccc21 O=C1CCC(=O)N1[*:1] CCCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2cc(C)ccc21
CCCn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2cc(C)ccc21 CCC[*:1] Cc1ccc2c(c1)s/c(=N\C(=O)c1ccc(cc1)N1C(=O)CCC1=O)n2[*:1]
CC(C)C[C@H](CNC(=O)c1cc(F)ccc1F)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)c1cc(F)ccc1F)[*:1]
CC(C)C[C@H](CNC(=O)c1cc(F)ccc1F)C(=O)[O-] CC(C)C[*:1] O=C(NC[C@H](C(=O)[O-])[*:1])c1cc(F)ccc1F
CC(C)C[C@H](CNC(=O)c1cc(F)ccc1F)C(=O)[O-] CC(C)[*:1] O=C(NC[C@@H](C[*:1])C(=O)[O-])c1cc(F)ccc1F
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21 Clc1cccc(c1)[*:1] COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)[*:1])c2ccccc21
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21 COCC[*:1] N#C/C(C(=O)NC[*:1])=C1/N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21 COCCC[*:1] N#C/C(C(=O)N[*:1])=C1/N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21 COCCCNC(=O)[*:1] N#CC(=C1N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21)[*:1]
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21 COC[*:1] N#C/C(C(=O)NCC[*:1])=C1/N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-n3cnc4ccccc43)nc2)c1 c1ccc2c(c1)ncn2[*:1] N#Cc1cc(Cl)nc(c1)NNC(=O)c1ccc(nc1)[*:1]
N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-n3cnc4ccccc43)nc2)c1 N#Cc1cc(Cl)nc(c1)[*:1] O=C(NN[*:1])c1ccc(nc1)-n1cnc2ccccc21
Cc1ccc(NC(=O)CN(C)C(=O)COc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)CO[*:1]
Cc1ccc(NC(=O)CN(C)C(=O)COc2ccccc2)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)N[*:1])C(=O)COc1ccccc1
Cc1ccc(NC(=O)CN(C)C(=O)COc2ccccc2)cc1 c1ccc(cc1)O[*:1] Cc1ccc(cc1)NC(=O)CN(C)C(=O)C[*:1]
COCCN1CCC([NH2+][C@H]2C[C@H]3CCCc4cccc2c43)CC1 COCC[*:1] c1cc2CCC[C@@H]3C[C@H]([NH2+]C4CCN(CC4)[*:1])c(c1)c23
COCCN1CCC([NH2+][C@H]2C[C@H]3CCCc4cccc2c43)CC1 COC[*:1] c1cc2CCC[C@@H]3C[C@H]([NH2+]C4CCN(CC4)C[*:1])c(c1)c23
CCC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C1CCCCC1 C1CCC(CC1)[*:1] CCC[C@@H]([NH2+]C[C@H]1CCN(C1)S(C)(=O)=O)[*:1]
CCC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C1CCCCC1 CCC[*:1] CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](C2CCCCC2)[*:1])C1
O=S(=O)(Cc1cccc(F)c1)N[C@@H](CO)c1ccc(Cl)cc1 Fc1cccc(c1)[*:1] O=S(=O)(C[*:1])N[C@@H](CO)c1ccc(Cl)cc1
O=S(=O)(Cc1cccc(F)c1)N[C@@H](CO)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=S(=O)(Cc1cccc(F)c1)N[C@@H](CO)[*:1]
CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3c[nH]c4ccccc34)sc2c1 c1ccc2c(c[nH]c2c1)[*:1] CCOc1ccc2nc(sc2c1)N(CC[NH+](C)C)C(=O)[*:1]
CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3c[nH]c4ccccc34)sc2c1 CCO[*:1] C[NH+](C)CCN(C(=O)c1c[nH]c2ccccc12)c1nc2ccc(cc2s1)[*:1]
NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 NC(=O)C[*:1] O=c1ccn(c2ccc(Cl)cc12)[*:1]
NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 NC(=O)[*:1] O=c1ccn(C[*:1])c2ccc(Cl)cc12
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[C@H](C)[C@H](O)C1 O=S(=O)(NC1CC1)[*:1] Cc1ccc(cc1C(=O)N1CC[C@H](C)[C@H](O)C1)[*:1]
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[C@H](C)[C@H](O)C1 C1CC1[*:1] Cc1ccc(cc1C(=O)N1CC[C@H](C)[C@H](O)C1)S(=O)(=O)N[*:1]
Brc1cnc(NCCCNc2ncccn2)nc1 c1cnc(nc1)[*:1] Brc1cnc(nc1)NCCCN[*:1]
CCC(=O)N1CCC(Nc2cc(Cl)ccc2SC(C)C)CC1 CC(C)[*:1] CCC(=O)N1CCC(CC1)Nc1cc(Cl)ccc1S[*:1]
CCC(=O)N1CCC(Nc2cc(Cl)ccc2SC(C)C)CC1 CC(C)S[*:1] CCC(=O)N1CCC(CC1)Nc1cc(Cl)ccc1[*:1]
CCCCn1c(-c2ccc(F)c(F)c2)nc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CCCCn1c(nc2cc(ccc21)[*:1])-c1ccc(F)c(F)c1
CCCCn1c(-c2ccc(F)c(F)c2)nc2cc(S(N)(=O)=O)ccc21 CCC[*:1] NS(=O)(=O)c1ccc2c(c1)nc(-c1ccc(F)c(F)c1)n2C[*:1]
CCCCn1c(-c2ccc(F)c(F)c2)nc2cc(S(N)(=O)=O)ccc21 CCCC[*:1] NS(=O)(=O)c1ccc2c(c1)nc(-c1ccc(F)c(F)c1)n2[*:1]
CCCCn1c(-c2ccc(F)c(F)c2)nc2cc(S(N)(=O)=O)ccc21 Fc1ccc(cc1F)[*:1] CCCCn1c(nc2cc(ccc21)S(N)(=O)=O)[*:1]
O=C1O[C@@H](CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc21 c1ccc2sc(nc2c1)[*:1] O=C1O[C@@H](CC(=O)N2CCC[C@@H](C2)[*:1])c2ccccc21
CC(C)C[C@@H]([NH3+])C(=O)NCCn1nc([O-])c2ccccc2c1=O CC(C)[*:1] [NH3+][C@H](C[*:1])C(=O)NCCn1nc([O-])c2ccccc2c1=O
CC(C)C[C@@H]([NH3+])C(=O)NCCn1nc([O-])c2ccccc2c1=O CC(C)C[*:1] [NH3+][C@@H](C(=O)NCCn1nc([O-])c2ccccc2c1=O)[*:1]
Fc1ccccc1C[C@@H](C[NH2+]C1CC1)c1ccccc1F Fc1ccccc1[*:1] Fc1ccccc1C[C@@H](C[NH2+]C1CC1)[*:1]
Fc1ccccc1C[C@@H](C[NH2+]C1CC1)c1ccccc1F Fc1ccccc1[*:1] Fc1ccccc1[C@H](C[NH2+]C1CC1)C[*:1]
C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(N3CCOC3=O)cc2)C1 O=C1OCCN1[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)Nc1ccc(cc1)[*:1]
Cc1csc(NC(=O)CCSc2ccccn2)n1 Cc1csc(n1)[*:1] O=C(CCSc1ccccn1)N[*:1]
Cc1csc(NC(=O)CCSc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1csc(n1)NC(=O)CCS[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccon2)CC1 c1cc(C[*:1])no1 CCC[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](CC1)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccon2)CC1 CCC[C@H](C)[*:1] C[C@H](C(=O)N[*:1])N1CC[NH+](CC1)Cc1ccon1
CCC[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccon2)CC1 CCC[*:1] C[C@H](NC(=O)[C@@H](C)N1CC[NH+](CC1)Cc1ccon1)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccon2)CC1 c1cc(no1)[*:1] CCC[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](CC1)C[*:1]
COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2nc(C)ns2)CC1 COC(=O)[*:1] Cc1nsc(n1)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1[*:1]
COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2nc(C)ns2)CC1 Cc1nsc(n1)[*:1] COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)[*:1]
C[C@@H](CNC(=O)c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)[*:1])Nc1ccccc1
C[C@@H](CNC(=O)c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1ccccc1)N[*:1]
C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCc2c(Cl)cc(Cl)cc21 CS(=O)(=O)[*:1] C[C@H](C[*:1])[NH2+][C@@H]1CCc2c(Cl)cc(Cl)cc21
C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCc2c(Cl)cc(Cl)cc21 CS(=O)(=O)C[*:1] C[C@H]([NH2+][C@@H]1CCc2c(Cl)cc(Cl)cc21)[*:1]
C[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c2ccccc2S1 NC(=O)[*:1] C[C@@H]1CCN(C(=O)C2C[C@@H](N(N=2)c2ccccc2)[*:1])c2ccccc2S1
C[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c2ccccc2S1 c1ccc(cc1)[*:1] C[C@@H]1CCN(C(=O)C2C[C@@H](C(N)=O)N(N=2)[*:1])c2ccccc2S1
CCOc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 O=C(c1cccs1)[*:1] CCOc1ccc(cc1)[C@@H]1NC(=O)C(O)=C1[*:1]
CCOc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 c1csc(c1)[*:1] CCOc1ccc(cc1)[C@@H]1NC(=O)C(O)=C1C(=O)[*:1]
CCOc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 CCO[*:1] O=C1N[C@H](C(C(=O)c2cccs2)=C1O)c1ccc(cc1)[*:1]
C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 FC(F)(F)[*:1] C[NH+]1CCN(CC1)c1ccc(cc1[N-]S(=O)(=O)c1ccc(cc1)S(N)(=O)=O)[*:1]
C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 NS(=O)(=O)c1ccc(cc1)[*:1] C[NH+]1CCN(CC1)c1ccc(cc1[N-]S(=O)(=O)[*:1])C(F)(F)F
C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 NS(=O)(=O)[*:1] C[NH+]1CCN(CC1)c1ccc(cc1[N-]S(=O)(=O)c1ccc(cc1)[*:1])C(F)(F)F
Cc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1[*:1]
CCc1c(C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)csc1C FC(F)[*:1] CCc1c(csc1C)C(=O)N1N=C(C[C@@]1(O)[*:1])C(F)F
CCc1c(C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)csc1C FC(F)[*:1] CCc1c(csc1C)C(=O)N1N=C(C[C@]1(O)C(F)F)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)c1ccc2c(c1)OCC(=O)N2 Cc1ccc(cc1)C[*:1] CC[C@H](NC(=O)c1ccc2NC(=O)COc2c1)[*:1]
CC[C@H](Cc1ccc(C)cc1)NC(=O)c1ccc2c(c1)OCC(=O)N2 Cc1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)c1ccc2NC(=O)COc2c1
N#C[C@]1(NC2CC2)CCC[C@H]1CCSc1nncs1 C1CC1N[*:1] N#C[C@@]1(CCC[C@H]1CCSc1nncs1)[*:1]
N#C[C@]1(NC2CC2)CCC[C@H]1CCSc1nncs1 C1CC1[*:1] N#C[C@@]1(CCC[C@H]1CCSc1nncs1)N[*:1]
N#C[C@]1(NC2CC2)CCC[C@H]1CCSc1nncs1 c1nnc(S[*:1])s1 N#C[C@@]1(CCC[C@H]1CC[*:1])NC1CC1
N#C[C@]1(NC2CC2)CCC[C@H]1CCSc1nncs1 c1nnc(s1)[*:1] N#C[C@@]1(CCC[C@H]1CCS[*:1])NC1CC1
CCc1nn(C)c(NC[C@H](C)C[C@H](C)O)c1[N+](=O)[O-] C[C@H](O)C[*:1] CCc1nn(C)c(NC[C@H](C)[*:1])c1[N+](=O)[O-]
CCc1nn(C)c(NC[C@H](C)C[C@H](C)O)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(NC[C@H](C)C[C@H](C)O)c1[*:1]
CCc1nn(C)c(NC[C@H](C)C[C@H](C)O)c1[N+](=O)[O-] C[C@H](O)[*:1] CCc1nn(C)c(NC[C@H](C)C[*:1])c1[N+](=O)[O-]
Cc1cccc(Nc2nc3nccc(-c4ccccn4)c3c(=O)[nH]2)c1 Cc1cccc(c1)N[*:1] O=c1[nH]c(nc2nccc(-c3ccccn3)c12)[*:1]
Cc1cccc(Nc2nc3nccc(-c4ccccn4)c3c(=O)[nH]2)c1 Cc1cccc(c1)[*:1] O=c1[nH]c(nc2nccc(-c3ccccn3)c12)N[*:1]
Cc1cccc(Nc2nc3nccc(-c4ccccn4)c3c(=O)[nH]2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)Nc1nc2nccc(c2c(=O)[nH]1)[*:1]
COc1ccc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1NC(C)=O C1Cc2nnc(n2C1)[*:1] COc1ccc(cc1NC(C)=O)S(=O)(=O)Nc1cccc(c1)[*:1]
COc1ccc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1cccc(c1)-c1nnc2CCCn21
Cc1nnc(-c2cc(NC(=O)c3ccccc3F)c(C)s2)o1 Cc1nnc(o1)[*:1] Cc1sc(cc1NC(=O)c1ccccc1F)[*:1]
Cc1nnc(-c2cc(NC(=O)c3ccccc3F)c(C)s2)o1 Fc1ccccc1[*:1] Cc1nnc(o1)-c1cc(NC(=O)[*:1])c(C)s1
O=C(CNCC(F)(F)F)NCc1cccc(NC(=O)N2CCCC2)c1 FC(F)(F)[*:1] O=C(CNC[*:1])NCc1cccc(c1)NC(=O)N1CCCC1
O=C(CNCC(F)(F)F)NCc1cccc(NC(=O)N2CCCC2)c1 FC(F)(F)CN[*:1] O=C(C[*:1])NCc1cccc(c1)NC(=O)N1CCCC1
O=C(CNCC(F)(F)F)NCc1cccc(NC(=O)N2CCCC2)c1 O=C(N[*:1])N1CCCC1 O=C(CNCC(F)(F)F)NCc1cccc(c1)[*:1]
O=C(CNCC(F)(F)F)NCc1cccc(NC(=O)N2CCCC2)c1 FC(F)(F)CNC[*:1] O=C(Nc1cccc(c1)CNC(=O)[*:1])N1CCCC1
O=C(CNCC(F)(F)F)NCc1cccc(NC(=O)N2CCCC2)c1 FC(F)(F)C[*:1] O=C(CN[*:1])NCc1cccc(c1)NC(=O)N1CCCC1
Cc1csc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)n1 Fc1ccc(cc1)[*:1] Cc1csc(n1)NC(=O)C[C@@H](N1Cc2ccccc2C1=O)[*:1]
Cc1csc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)n1 Cc1csc(n1)[*:1] O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)N[*:1]
Cc1csc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)n1 Cc1csc(n1)NC(=O)[*:1] O=C1c2ccccc2CN1[C@@H](C[*:1])c1ccc(F)cc1
CCOc1cccc2cc([C@@H](C)NC(=O)CSc3nc(C)n[nH]3)oc12 CCO[*:1] Cc1n[nH]c(n1)SCC(=O)N[C@H](C)c1cc2cccc(c2o1)[*:1]
CCOc1cccc2cc([C@@H](C)NC(=O)CSc3nc(C)n[nH]3)oc12 Cc1n[nH]c(n1)[*:1] CCOc1cccc2cc(oc12)[C@@H](C)NC(=O)CS[*:1]
CCOc1cccc2cc([C@@H](C)NC(=O)CSc3nc(C)n[nH]3)oc12 Cc1n[nH]c(n1)S[*:1] CCOc1cccc2cc(oc12)[C@@H](C)NC(=O)C[*:1]
CCOc1cccc2cc([C@@H](C)NC(=O)CSc3nc(C)n[nH]3)oc12 Cc1n[nH]c(n1)SC[*:1] CCOc1cccc2cc(oc12)[C@@H](C)NC(=O)[*:1]
COC(OC)c1csc(N2CCCC2)n1 COC(OC)[*:1] c1sc(nc1[*:1])N1CCCC1
COC(OC)c1csc(N2CCCC2)n1 C1CCN(C1)[*:1] COC(OC)c1csc(n1)[*:1]
Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)ccc1C(N)=O NC(=O)[*:1] Cc1cc(ccc1[*:1])[N-]S(=O)(=O)c1cc(C)c(C)s1
Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)ccc1C(N)=O Cc1cc(sc1C)[*:1] Cc1cc(ccc1C(N)=O)[N-]S(=O)(=O)[*:1]
O=C(NCCCNC(=O)C1CCCCC1)c1cnc2[nH]ccc2c1 C1CCC(CC1)[*:1] O=C(NCCCNC(=O)[*:1])c1cnc2[nH]ccc2c1
Cc1c(C(=O)N2CC[C@@H](C(N)=O)C2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CC[C@H](C1)C(N)=O
Cc1c(C(=O)N2CC[C@@H](C(N)=O)C2)cnn1-c1ccc(F)cc1 NC(=O)[*:1] Cc1c(cnn1-c1ccc(F)cc1)C(=O)N1CC[C@@H](C1)[*:1]
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1[*:1]
COc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3oc(C)cc3n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cc2nc(cc(=O)n2o1)CSc1ccccc1NC(=O)N[*:1]
CCc1nn(C)c(CC(=O)C(C)(C)N2CCOCC2)c1Br C1CN(CCO1)[*:1] CCc1nn(C)c(CC(=O)C(C)(C)[*:1])c1Br
COc1cc2c3nc4n(c(=O)c3n(CC(=O)NC(C)C)c2cc1OC)CCS4 CC(C)NC(=O)C[*:1] COc1cc2c3nc4SCCn4c(=O)c3n(c2cc1OC)[*:1]
COc1cc2c3nc4n(c(=O)c3n(CC(=O)NC(C)C)c2cc1OC)CCS4 CC(C)NC(=O)[*:1] COc1cc2c3nc4SCCn4c(=O)c3n(C[*:1])c2cc1OC
COc1cc2c3nc4n(c(=O)c3n(CC(=O)NC(C)C)c2cc1OC)CCS4 CC(C)[*:1] COc1cc2c3nc4SCCn4c(=O)c3n(CC(=O)N[*:1])c2cc1OC
CC(C)CN(C)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 CC(C)C[*:1] CN(C(=O)Nc1cccc(Cl)c1Oc1cccnc1)[*:1]
CC(C)CN(C)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 c1cncc(c1)O[*:1] CC(C)CN(C)C(=O)Nc1cccc(Cl)c1[*:1]
CC(C)CN(C)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 c1cncc(c1)[*:1] CC(C)CN(C)C(=O)Nc1cccc(Cl)c1O[*:1]
CC(C)CN(C)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 CC(C)[*:1] CN(C[*:1])C(=O)Nc1cccc(Cl)c1Oc1cccnc1
C[C@H]1CC[C@H]([NH+]2CCN(CC3CCCCC3)CC2)C1 C1CCC(CC1)[*:1] C[C@H]1CC[C@@H](C1)[NH+]1CCN(CC1)C[*:1]
CCOC(=O)c1sc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C#N)c1C CCOC(=O)[*:1] Cc1c(sc(NC(=O)c2ccc(o2)-c2cccc(c2)[N+](=O)[O-])c1C#N)[*:1]
CCOC(=O)c1sc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C#N)c1C O=[N+]([O-])[*:1] CCOC(=O)c1sc(NC(=O)c2ccc(o2)-c2cccc(c2)[*:1])c(C#N)c1C
CCOC(=O)c1sc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C#N)c1C O=[N+]([O-])c1cccc(c1)[*:1] CCOC(=O)c1sc(NC(=O)c2ccc(o2)[*:1])c(C#N)c1C
O=C(COc1ccccc1)Nc1nnc(-c2ccc(Br)o2)o1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1nnc(o1)-c1ccc(Br)o1
O=C(COc1ccccc1)Nc1nnc(-c2ccc(Br)o2)o1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1nnc(o1)-c1ccc(Br)o1
O=C(COc1ccccc1)Nc1nnc(-c2ccc(Br)o2)o1 Brc1ccc(o1)[*:1] O=C(COc1ccccc1)Nc1nnc(o1)[*:1]
N#Cc1cccc(C(=O)NCc2cc(-c3ccccc3)on2)c1 c1ccc(cc1)[*:1] N#Cc1cccc(c1)C(=O)NCc1cc(on1)[*:1]
CCc1ocnc1C(=O)NCCn1cnnc1C(C)C CC(C)[*:1] CCc1ocnc1C(=O)NCCn1cnnc1[*:1]
O=C(NCc1nncn1C1CC1)Nc1cccc(N2CCCCC2)c1 c1nnc(n1C1CC1)[*:1] O=C(NC[*:1])Nc1cccc(c1)N1CCCCC1
O=C(NCc1nncn1C1CC1)Nc1cccc(N2CCCCC2)c1 C1CC1[*:1] O=C(NCc1nncn1[*:1])Nc1cccc(c1)N1CCCCC1
O=C(NCc1nncn1C1CC1)Nc1cccc(N2CCCCC2)c1 C1CCN(CC1)[*:1] O=C(NCc1nncn1C1CC1)Nc1cccc(c1)[*:1]
C[C@@H](CCC(=O)[O-])CC[NH+]1CCCCC1 O=C([O-])C[*:1] C[C@H](CC[NH+]1CCCCC1)C[*:1]
C[C@@H](CCC(=O)[O-])CC[NH+]1CCCCC1 O=C([O-])[*:1] C[C@H](CC[NH+]1CCCCC1)CC[*:1]
C[C@@H](CCC(=O)[O-])CC[NH+]1CCCCC1 O=C([O-])CC[*:1] C[C@@H](CC[NH+]1CCCCC1)[*:1]
C[C@H](CCCO)NC(=O)NC[C@@H]1CCN(c2ccccc2)C1 OCC[*:1] C[C@H](C[*:1])NC(=O)NC[C@@H]1CCN(C1)c1ccccc1
C[C@H](CCCO)NC(=O)NC[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H](CCCO)NC(=O)NC[C@@H]1CCN(C1)[*:1]
C[C@H](CCCO)NC(=O)NC[C@@H]1CCN(c2ccccc2)C1 C[C@H](CCCO)[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)N[*:1]
C[C@H](CCCO)NC(=O)NC[C@@H]1CCN(c2ccccc2)C1 OCCC[*:1] C[C@H](NC(=O)NC[C@@H]1CCN(C1)c1ccccc1)[*:1]
C[C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3cn[nH]c3)c2)C1 c1n[nH]cc1[*:1] C[C@@H]1CCC[C@@H](C1)C(=O)Nc1cccc(c1)[*:1]
CC[NH+]1CCC(CC(=O)N2CCN(CCn3cccc3)CC2)CC1 c1ccn(c1)CC[*:1] CC[NH+]1CCC(CC1)CC(=O)N1CCN(CC1)[*:1]
CC[NH+]1CCC(CC(=O)N2CCN(CCn3cccc3)CC2)CC1 c1ccn(c1)C[*:1] CC[NH+]1CCC(CC1)CC(=O)N1CCN(CC1)C[*:1]
CC[NH+]1CCC(CC(=O)N2CCN(CCn3cccc3)CC2)CC1 c1ccn(c1)[*:1] CC[NH+]1CCC(CC1)CC(=O)N1CCN(CC1)CC[*:1]
Cc1csc(C[S@@](=O)Cc2c(C)cccc2C)n1 Cc1csc(n1)[*:1] Cc1cccc(C)c1C[S@](=O)C[*:1]
Cc1ccc(-c2ncc(C[NH+]3CCC(c4nncn4C)CC3)s2)cc1 Cn1cnnc1[*:1] Cc1ccc(cc1)-c1ncc(C[NH+]2CCC(CC2)[*:1])s1
Cc1ccc(-c2ncc(C[NH+]3CCC(c4nncn4C)CC3)s2)cc1 Cc1ccc(cc1)[*:1] Cn1cnnc1C1CC[NH+](CC1)Cc1cnc(s1)[*:1]
CCN(CC(=O)OC)c1ncc(Br)cc1C COC(=O)C[*:1] CCN(c1ncc(Br)cc1C)[*:1]
CCN(CC(=O)OC)c1ncc(Br)cc1C COC(=O)[*:1] CCN(C[*:1])c1ncc(Br)cc1C
COc1ccc(Oc2cncc(C(N)=O)n2)cc1C[NH+]1CCCC1 NC(=O)[*:1] COc1ccc(cc1C[NH+]1CCCC1)Oc1cncc(n1)[*:1]
COc1ccc(-c2n[nH]cc2C[NH+](C)Cc2nnc(C)n2C)cc1 Cc1nnc(n1C)[*:1] COc1ccc(cc1)-c1n[nH]cc1C[NH+](C)C[*:1]
COc1ccc(-c2n[nH]cc2C[NH+](C)Cc2nnc(C)n2C)cc1 COc1ccc(cc1)[*:1] Cc1nnc(C[NH+](C)Cc2c[nH]nc2[*:1])n1C
COc1ccc(-c2n[nH]cc2C[NH+](C)Cc2nnc(C)n2C)cc1 Cc1nnc(C[*:1])n1C COc1ccc(cc1)-c1n[nH]cc1C[NH+](C)[*:1]
NC(=O)N1CCC(C(=O)NC2(c3ccc(Br)cc3)CCC2)CC1 Brc1ccc(cc1)[*:1] NC(=O)N1CCC(CC1)C(=O)NC1(CCC1)[*:1]
CC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)C(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] CC[C@@H]([NH2+]Cc1cnn(c1)-c1ccccc1)C(=O)N[*:1]
CC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)C(=O)Nc1cc(C)on1 c1ccc(cc1)[*:1] CC[C@@H]([NH2+]Cc1cnn(c1)[*:1])C(=O)Nc1cc(C)on1
Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](C)CCc2ccco2)c(C)c1 c1coc(c1)C[*:1] Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](C)C[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](C)CCc2ccco2)c(C)c1 c1coc(c1)CC[*:1] Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](C)[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](C)CCc2ccco2)c(C)c1 c1coc(c1)[*:1] Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](C)CC[*:1])c(C)c1
CC[C@@H](C)OC(=O)C(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] CC[C@@H](C)OC(=O)C(C(F)(F)F)[*:1]
CC[C@@H](C)OC(=O)C(C(F)(F)F)C(F)(F)F CC[C@@H](C)[*:1] O=C(O[*:1])C(C(F)(F)F)C(F)(F)F
CC(C)Oc1cccc(CN(C)Cc2cnc3ncccn23)c1 CC(C)[*:1] CN(Cc1cccc(c1)O[*:1])Cc1cnc2ncccn12
CC(C)Oc1cccc(CN(C)Cc2cnc3ncccn23)c1 CC(C)O[*:1] CN(Cc1cccc(c1)[*:1])Cc1cnc2ncccn12
C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccc(OC)c1OC C=CCOC(=O)[*:1] COc1cccc(c1OC)[C@H]1C(=C(C)Nc2[nH]c(=O)[nH]c(=O)c21)[*:1]
C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccc(OC)c1OC C=CC[*:1] COc1cccc(c1OC)[C@H]1C(C(=O)O[*:1])=C(C)Nc2[nH]c(=O)[nH]c(=O)c21
CN(Cc1ccc(Cl)cc1Cl)Cc1ncnn1C Cn1ncnc1[*:1] CN(Cc1ccc(Cl)cc1Cl)C[*:1]
FC(F)(F)c1ccc(Cl)c2[nH]ccc12 FC(F)(F)[*:1] Clc1ccc(c2cc[nH]c12)[*:1]
O=C(Nc1cnc(N2CCOCC2)nc1)c1cc(F)ccc1Cl C1CN(CCO1)[*:1] O=C(Nc1cnc(nc1)[*:1])c1cc(F)ccc1Cl
C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(cc1)C[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(cc1)[*:1]
C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCOC2(CCC2)C1 c1cn(cn1)C[*:1] C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)[*:1]
C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCOC2(CCC2)C1 c1cn(cn1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCOC2(CCC2)C1
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2[*:1]
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)c(F)c1 COC(=O)[*:1] C[C@H]1CC2Nc3ccccc3N[C@@H](C=2C(=O)[C@H]1[*:1])c1ccc(Cl)c(F)c1
Cc1cc(C)cc(C(=O)NC[C@@H](O)c2ccc(C)o2)c1 Cc1ccc(o1)[*:1] Cc1cc(C)cc(c1)C(=O)NC[C@@H](O)[*:1]
C[C@H]1C[C@H](NC(=O)NCCn2cccc2)C(=O)N1c1ccccc1 c1ccn(c1)C[*:1] C[C@H]1C[C@H](NC(=O)NC[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@H](NC(=O)NCCn2cccc2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](NC(=O)NCCn2cccc2)C(=O)N1[*:1]
C[C@H]1C[C@H](NC(=O)NCCn2cccc2)C(=O)N1c1ccccc1 c1ccn(c1)[*:1] C[C@H]1C[C@H](NC(=O)NCC[*:1])C(=O)N1c1ccccc1
C[C@H]1C[C@H](NC(=O)NCCn2cccc2)C(=O)N1c1ccccc1 c1ccn(c1)CC[*:1] C[C@H]1C[C@H](NC(=O)N[*:1])C(=O)N1c1ccccc1
C[C@H](SCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](SCC(=O)N[C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@H](SCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H](SCC(=O)N[*:1])c1ccc(F)cc1
Cc1c(Br)cccc1C[NH+]1CCC(c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] Cc1c(Br)cccc1C[NH+]1CCC(CC1)[*:1]
O=C(c1ccccc1O)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(c1ccccc1O)N1CC[NH+](CC1)C[*:1]
O=C(c1ccccc1O)N1CC[NH+](CCc2ccccc2)CC1 Oc1ccccc1[*:1] O=C(N1CC[NH+](CCc2ccccc2)CC1)[*:1]
O=C(c1ccccc1O)N1CC[NH+](CCc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1O)N1CC[NH+](CC1)CC[*:1]
C[C@H]1CN(C(=O)Nc2cccc(Cl)c2SC(F)F)C[C@H](C)O1 FC(F)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1cccc(Cl)c1S[*:1]
C[C@H]1CN(C(=O)Nc2cccc(Cl)c2SC(F)F)C[C@H](C)O1 FC(F)S[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1cccc(Cl)c1[*:1]
CCCC[NH+]1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCC4 CCC[*:1] O=c1oc2c3C[NH+](COc3c(Cl)cc2c2CCCc21)C[*:1]
CCCC[NH+]1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCC4 CCCC[*:1] O=c1oc2c3C[NH+](COc3c(Cl)cc2c2CCCc21)[*:1]
CCC[C@@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 CCC[*:1] O=C(c1cc[nH]n1)N1CCC[C@](CO)(C1)[*:1]
CCC[C@@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 c1cc(n[nH]1)[*:1] CCC[C@@]1(CO)CCCN(C1)C(=O)[*:1]
C[C@H](C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)n1cc(Cl)cn1 C[C@H](n1cc(Cl)cn1)[*:1] O=C(N[C@@H]1CC2(CCOCC2)Oc2ccccc21)[*:1]
C[C@H](C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)n1cc(Cl)cn1 Clc1cnn(c1)[*:1] C[C@H](C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)[*:1]
Cc1ccc(N[C@H](C)C(=O)NC(C)(C)C)c(C)c1 CC(C)(C)[*:1] Cc1ccc(N[C@H](C)C(=O)N[*:1])c(C)c1
Cc1csc(N2CCCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 N#Cc1ccc(cc1)[*:1] Cc1csc(n1)N1CCCN(CC1)S(=O)(=O)[*:1]
Cc1csc(N2CCCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 Cc1csc(n1)[*:1] N#Cc1ccc(cc1)S(=O)(=O)N1CCCN(CC1)[*:1]
COc1cc(Cl)ccc1OCc1cc(C(=O)N(C)Cc2cn(C)nc2C)no1 Cc1nn(C)cc1C[*:1] COc1cc(Cl)ccc1OCc1cc(no1)C(=O)N(C)[*:1]
COc1cc(Cl)ccc1OCc1cc(C(=O)N(C)Cc2cn(C)nc2C)no1 COc1cc(Cl)ccc1[*:1] Cc1nn(C)cc1CN(C)C(=O)c1cc(CO[*:1])on1
COc1cc(Cl)ccc1OCc1cc(C(=O)N(C)Cc2cn(C)nc2C)no1 Cc1nn(C)cc1[*:1] COc1cc(Cl)ccc1OCc1cc(no1)C(=O)N(C)C[*:1]
O=C(NCc1nnc2n1CCC2)N[C@@H](C[NH+]1CCCC1)c1ccccc1 C1Cc2nnc(n2C1)[*:1] O=C(NC[*:1])N[C@@H](C[NH+]1CCCC1)c1ccccc1
O=C(NCc1nnc2n1CCC2)N[C@@H](C[NH+]1CCCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1nnc2CCCn21)N[C@@H](C[NH+]1CCCC1)[*:1]
CNC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)[*:1] CNC(=O)N(C[C@@H]1CCCO1)C[*:1]
CNC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CNC(=O)N(Cc1cccs1)C[*:1]
O=C(CC1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 C1CCC(CC1)C[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
O=C(CC1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 C1CCC(CC1)[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
O=C(CC1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(CC1CCCCC1)N1CCN(CC1)S(=O)(=O)[*:1]
CCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1C(=O)[O-] O=C([O-])[*:1] CCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1[*:1]
O=C(c1ccccc1Cl)N1CCC[NH+](Cn2nnc3ccccc3c2=O)CC1 Clc1ccccc1[*:1] O=C(N1CCC[NH+](CC1)Cn1nnc2ccccc2c1=O)[*:1]
O=C(COc1ccc(CO)cc1)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)CO)Nc1ccc(cc1)O[*:1]
O=C(COc1ccc(CO)cc1)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] O=C(COc1ccc(cc1)CO)Nc1ccc(cc1)[*:1]
O=C(COc1ccc(CO)cc1)Nc1ccc(Oc2ccccc2)cc1 OCc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)Oc1ccccc1
C/C=C/c1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)c(OC)c1 Fc1ccc(cc1)[*:1] C/C=C/c1ccc(OCC(=O)NNC(=O)[*:1])c(c1)OC
C/C=C/c1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)c(OC)c1 CC=C[*:1] COc1cc(ccc1OCC(=O)NNC(=O)c1ccc(F)cc1)[*:1]
CCOC(=O)[C@H]1N=C(C)C(C(C)=O)=C1c1ccccc1 CCOC(=O)[*:1] CC(=O)C1C(C)=N[C@@H](C=1c1ccccc1)[*:1]
CCOC(=O)[C@H]1N=C(C)C(C(C)=O)=C1c1ccccc1 CC(=O)[*:1] CCOC(=O)[C@H]1N=C(C)C(=C1c1ccccc1)[*:1]
CCOC(=O)[C@H]1N=C(C)C(C(C)=O)=C1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@H]1N=C(C)C(C(C)=O)=C1[*:1]
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F FC(F)(F)[*:1] NS(=O)(=O)c1ccc(cc1[*:1])[N+](=O)[O-]
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F O=[N+]([O-])[*:1] NS(=O)(=O)c1ccc(cc1C(F)(F)F)[*:1]
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F NS(=O)(=O)[*:1] O=[N+]([O-])c1ccc(c(c1)C(F)(F)F)[*:1]
CCCCc1cc(NC(=O)c2ccc(Cl)c([N-]S(C)(=O)=O)c2)[nH]n1 CCCC[*:1] CS(=O)(=O)[N-]c1cc(ccc1Cl)C(=O)Nc1cc(n[nH]1)[*:1]
CCCCc1cc(NC(=O)c2ccc(Cl)c([N-]S(C)(=O)=O)c2)[nH]n1 CCC[*:1] CS(=O)(=O)[N-]c1cc(ccc1Cl)C(=O)Nc1cc(C[*:1])n[nH]1
CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1F CC(=O)N1CCC[C@@H]1[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1ccc(F)cc1F
CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)N[*:1]
Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)NC4CCCCC4)CC3=O)c2c1 O=C(NC1CCCCC1)[*:1] Cc1ccc2[nH]cc(CCN3C[C@H](CC3=O)[*:1])c2c1
Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)NC4CCCCC4)CC3=O)c2c1 C1CCC(CC1)[*:1] Cc1ccc2[nH]cc(CCN3C[C@@H](CC3=O)C(=O)N[*:1])c2c1
C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)C1 c1ccc(cc1)[*:1] C[C@H]1CC[C@H](C1)[NH2+][C@@H]1C[C@H](C)N(C1=O)[*:1]
CN1CCO[C@H](C(=O)NCCOc2ccccc2C(C)(C)C)C1 CC(C)(C)[*:1] CN1CCO[C@@H](C1)C(=O)NCCOc1ccccc1[*:1]
CONC(=O)c1[nH]nc(C2CC2)c1Cl C1CC1[*:1] CONC(=O)c1[nH]nc(c1Cl)[*:1]
COC(=O)[C@]1(F)CCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 COC(=O)[*:1] O=C(Cc1cc(Cl)ccc1Cl)N1CC[C@@](F)(C1)[*:1]
Cc1ccccc1[C@@H](NC(=O)c1cnccn1)C(C)(C)C Cc1ccccc1[*:1] CC(C)(C)[C@H](NC(=O)c1cnccn1)[*:1]
Cc1ccccc1[C@@H](NC(=O)c1cnccn1)C(C)(C)C CC(C)(C)[*:1] Cc1ccccc1[C@@H](NC(=O)c1cnccn1)[*:1]
Cc1ccccc1[C@@H](NC(=O)c1cnccn1)C(C)(C)C c1cnc(cn1)[*:1] Cc1ccccc1[C@@H](NC(=O)[*:1])C(C)(C)C
O=C(CCc1c(F)cccc1F)NNc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCc1c(F)cccc1F)NN[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 CC(=O)N[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCC[C@H](C1)[NH+]1CCOCC1
N#Cc1cccc(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 N#Cc1cccc(c1)[*:1] O=C(NC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
CCCC1(CNC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CC1 CCCC1(CC1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NC[*:1]
CCCC1(CNC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CC1 CCC[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCC1(CC1)[*:1]
N#Cc1ccccc1-c1ccc(CNC(=O)c2ccnc(F)c2)cc1 Fc1cc(ccn1)[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)[*:1]
N#Cc1ccccc1-c1ccc(CNC(=O)c2ccnc(F)c2)cc1 N#Cc1ccccc1[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccnc(F)c1
COc1cccc(NC(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2C)c1 COc1cccc(c1)[*:1] Cn1c(nc2scc(-c3cccs3)c2c1=O)SCC(=O)N[*:1]
COc1cccc(NC(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2C)c1 c1csc(c1)[*:1] COc1cccc(c1)NC(=O)CSc1nc2scc(c2c(=O)n1C)[*:1]
COCCn1ccc2ccc(NC(=O)N(C)CC[C@@H](C)O)cc21 COC[*:1] C[C@@H](O)CCN(C)C(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)N(C)CC[C@@H](C)O)cc21 COCC[*:1] C[C@@H](O)CCN(C)C(=O)Nc1ccc2ccn(c2c1)[*:1]
COCCn1ccc2ccc(NC(=O)N(C)CC[C@@H](C)O)cc21 C[C@@H](O)[*:1] COCCn1ccc2ccc(cc21)NC(=O)N(C)CC[*:1]
Cc1ccc(N2CCCN(C(=O)c3cnc[nH]3)CC2)nn1 c1ncc([nH]1)[*:1] Cc1ccc(nn1)N1CCCN(CC1)C(=O)[*:1]
Cc1ccc(N2CCCN(C(=O)c3cnc[nH]3)CC2)nn1 Cc1ccc(nn1)[*:1] O=C(c1cnc[nH]1)N1CCCN(CC1)[*:1]
CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 CCNC(=O)C[*:1] CC(C)(C)c1ccc(cc1)-c1nnc(S[*:1])n1-c1ccccc1
CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)CSc1nnc(-c2ccc(cc2)C(C)(C)C)n1[*:1]
CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 CC(C)(C)[*:1] CCNC(=O)CSc1nnc(-c2ccc(cc2)[*:1])n1-c1ccccc1
CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 CCNC(=O)CS[*:1] CC(C)(C)c1ccc(cc1)-c1nnc(n1-c1ccccc1)[*:1]
CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 CCNC(=O)[*:1] CC(C)(C)c1ccc(cc1)-c1nnc(SC[*:1])n1-c1ccccc1
CCCC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 CCCC(=O)N[*:1] O=C(NCc1cccnc1)c1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 c1cncc(c1)C[*:1] CCCC(=O)Nc1ccc(cc1)C(=O)N[*:1]
CCCC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 c1cncc(c1)[*:1] CCCC(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CCCC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 CCC[*:1] O=C(NCc1cccnc1)c1ccc(cc1)NC(=O)[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccnc1Cl Clc1ncccc1[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccnc1Cl c1ccc(cc1)[*:1] N#C[C@@H]([C@@H]1CCCN1C(=O)c1cccnc1Cl)[*:1]
COc1cc(C)ccc1OS(=O)(=O)CC1CCOCC1 C1CC(CCO1)[*:1] COc1cc(C)ccc1OS(=O)(=O)C[*:1]
CNC(=O)c1cccc(CSCc2cccc([N+](=O)[O-])c2C)c1 CNC(=O)[*:1] Cc1c(cccc1[N+](=O)[O-])CSCc1cccc(c1)[*:1]
CNC(=O)c1cccc(CSCc2cccc([N+](=O)[O-])c2C)c1 O=[N+]([O-])[*:1] CNC(=O)c1cccc(c1)CSCc1cccc(c1C)[*:1]
CCCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(OC)c2)C2=C1CCCC2=O CCC[*:1] COc1cc(ccc1O)C1C2C(=O)CCCC=2N(C2CCCC(=O)C=21)[*:1]
CCCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(OC)c2)C2=C1CCCC2=O COc1cc(ccc1O)[*:1] CCCN1C2CCCC(=O)C=2C(C2C(=O)CCCC=21)[*:1]
CCOC(=O)c1sc2nc(COC(=O)c3ccc(I)cc3)[nH]c(=O)c2c1C CCOC(=O)[*:1] Cc1c(sc2nc(COC(=O)c3ccc(I)cc3)[nH]c(=O)c12)[*:1]
CCOC(=O)c1sc2nc(COC(=O)c3ccc(I)cc3)[nH]c(=O)c2c1C Ic1ccc(cc1)[*:1] CCOC(=O)c1sc2nc(COC(=O)[*:1])[nH]c(=O)c2c1C
COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1O[*:1]
COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1[*:1]
COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1OC[*:1]
C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nnc(C(F)(F)F)s1 FC(F)(F)[*:1] C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nnc(s1)[*:1]
N#CCOc1cccc(CC(=O)Nc2ccc(Oc3ccncc3)cc2)c1 c1cc(ccn1)[*:1] N#CCOc1cccc(c1)CC(=O)Nc1ccc(cc1)O[*:1]
N#CCOc1cccc(CC(=O)Nc2ccc(Oc3ccncc3)cc2)c1 N#CC[*:1] O=C(Cc1cccc(c1)O[*:1])Nc1ccc(cc1)Oc1ccncc1
N#CCOc1cccc(CC(=O)Nc2ccc(Oc3ccncc3)cc2)c1 c1cc(ccn1)O[*:1] N#CCOc1cccc(c1)CC(=O)Nc1ccc(cc1)[*:1]
N#CCOc1cccc(CC(=O)Nc2ccc(Oc3ccncc3)cc2)c1 N#CCO[*:1] O=C(Cc1cccc(c1)[*:1])Nc1ccc(cc1)Oc1ccncc1
C[C@@H](SCC1CCCCC1)C(=O)N1CCNC1=O C1CCC(CC1)[*:1] C[C@@H](SC[*:1])C(=O)N1CCNC1=O
CCCN/C(S)=C(/C(=O)c1ccccc1)[n+]1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCCN/C(S)=C(/C(=O)c1ccccc1)[n+]1ccc(cc1)[*:1]
CCCN/C(S)=C(/C(=O)c1ccccc1)[n+]1ccc(C(C)(C)C)cc1 O=C(c1ccccc1)[*:1] CCCN/C(S)=C(\[n+]1ccc(cc1)C(C)(C)C)[*:1]
CCCN/C(S)=C(/C(=O)c1ccccc1)[n+]1ccc(C(C)(C)C)cc1 CCC[*:1] CC(C)(C)c1cc[n+](cc1)/C(C(=O)c1ccccc1)=C(/S)N[*:1]
CCCN/C(S)=C(/C(=O)c1ccccc1)[n+]1ccc(C(C)(C)C)cc1 c1ccc(cc1)[*:1] CCCN/C(S)=C(/C(=O)[*:1])[n+]1ccc(cc1)C(C)(C)C
CCCN/C(S)=C(/C(=O)c1ccccc1)[n+]1ccc(C(C)(C)C)cc1 CCCN[*:1] CC(C)(C)c1cc[n+](cc1)/C(C(=O)c1ccccc1)=C(/S)[*:1]
Cc1cc(C(=O)N2CCN(Cc3ccccc3N3CCOCC3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(N1CCN(CC1)Cc1ccccc1N1CCOCC1)[*:1]
Cc1cc(C(=O)N2CCN(Cc3ccccc3N3CCOCC3)CC2)c(C)o1 C1CN(CCO1)[*:1] Cc1cc(C(=O)N2CCN(CC2)Cc2ccccc2[*:1])c(C)o1
COc1ncccc1C(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 C1CCC(CC1)[*:1] COc1ncccc1C(=O)NCc1cc2C[NH+](CCCn2n1)[*:1]
COc1ncccc1C(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 COc1ncccc1[*:1] O=C(NCc1cc2C[NH+](CCCn2n1)C1CCCCC1)[*:1]
CN1CCN(S(=O)(=O)c2ccccc2F)C[C@]12CCNC(=O)CC2 Fc1ccccc1[*:1] CN1CCN(C[C@]12CCNC(=O)CC2)S(=O)(=O)[*:1]
CCOc1cccc(NC(=O)c2ccnc3ccccc23)c1 CCO[*:1] O=C(Nc1cccc(c1)[*:1])c1ccnc2ccccc12
Cc1ccc(NC(=O)[C@H](C)Cc2c(C)noc2C)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H](C)Cc1c(C)noc1C
Cc1ccc(NC(=O)[C@H](C)Cc2c(C)noc2C)cc1C(=O)N(C)C Cc1noc(C)c1C[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)[C@H](C)[*:1]
Cc1ccc(NC(=O)[C@H](C)Cc2c(C)noc2C)cc1C(=O)N(C)C Cc1noc(C)c1[*:1] Cc1ccc(cc1C(=O)N(C)C)NC(=O)[C@H](C)C[*:1]
CC1(C)[C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)[C@@H]2CCO[C@@H]21 CS(=O)(=O)[*:1] CC1(C)[C@@H](NC(=O)c2ccc(cc2)[*:1])[C@@H]2CCO[C@@H]21
C[C@H]1CN(CCCCSc2ccccc2)C[C@H](C)O1 c1ccc(cc1)[*:1] C[C@H]1CN(CCCCS[*:1])C[C@H](C)O1
CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C[NH3+])CC(C)C)c1 CC(C)C[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)[C@@H](C[NH3+])[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C[NH3+])CC(C)C)c1 CNC(=O)[*:1] CC(C)C[C@H](C[NH3+])C(=O)Nc1cc(ccc1Cl)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C[NH3+])CC(C)C)c1 CC(C)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)[C@@H](C[NH3+])C[*:1]
CN[C@]1(C(=O)OC)CC[C@@H](N(CC(F)(F)F)C(C)C)C1 FC(F)(F)[*:1] CN[C@@]1(CC[C@H](C1)N(C[*:1])C(C)C)C(=O)OC
CN[C@]1(C(=O)OC)CC[C@@H](N(CC(F)(F)F)C(C)C)C1 CC(C)[*:1] CN[C@@]1(CC[C@H](C1)N(CC(F)(F)F)[*:1])C(=O)OC
CN[C@]1(C(=O)OC)CC[C@@H](N(CC(F)(F)F)C(C)C)C1 FC(F)(F)C[*:1] CN[C@@]1(CC[C@H](C1)N(C(C)C)[*:1])C(=O)OC
CN[C@]1(C(=O)OC)CC[C@@H](N(CC(F)(F)F)C(C)C)C1 COC(=O)[*:1] CN[C@@]1(CC[C@H](C1)N(CC(F)(F)F)C(C)C)[*:1]
COc1nc(NC[C@@H]2CN3CCCC[C@@H]3CO2)nc(N2CCCCCC2)n1 C1CCCN(CC1)[*:1] COc1nc(nc(n1)[*:1])NC[C@@H]1CN2CCCC[C@@H]2CO1
O=C(NCc1cn2ccsc2n1)NCC1(c2ccccc2)CCCC1 c1ccc(cc1)[*:1] O=C(NCc1cn2ccsc2n1)NCC1(CCCC1)[*:1]
O=C(NCc1cn2ccsc2n1)NCC1(c2ccccc2)CCCC1 c1cn2cc(nc2s1)[*:1] O=C(NCC1(CCCC1)c1ccccc1)NC[*:1]
COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC[C@@H](C)C1 c1ccc(cc1)[*:1] COc1cc(=O)n(nc1C(=O)N1CCC[C@@H](C)C1)[*:1]
C[C@H]1CN(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C[C@H](C)O1 Clc1ccc(cc1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccc(cc1)NC(=O)[*:1]
COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)CC(O)=N3)cc1 COc1ccc(cc1Cl)[*:1] COc1ccc(cc1)-c1cc2N=C(O)C[C@H](C(=O)N[*:1])n2n1
COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)CC(O)=N3)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)[C@H]1CC(O)=Nc2cc(nn21)[*:1]
Cc1c(COc2ccccc2)cccc1NCc1ccc([S@@](C)=O)cc1 c1ccc(cc1)[*:1] Cc1c(cccc1NCc1ccc(cc1)[S@@](C)=O)CO[*:1]
Cc1c(COc2ccccc2)cccc1NCc1ccc([S@@](C)=O)cc1 c1ccc(cc1)O[*:1] Cc1c(cccc1NCc1ccc(cc1)[S@@](C)=O)C[*:1]
Cc1c(COc2ccccc2)cccc1NCc1ccc([S@@](C)=O)cc1 c1ccc(cc1)OC[*:1] Cc1c(cccc1[*:1])NCc1ccc(cc1)[S@@](C)=O
CC(=O)Nc1ccc(Nc2ncnc(N3CCCC[C@@H]3C)c2[N+](=O)[O-])cc1 CC(=O)N[*:1] C[C@H]1CCCCN1c1ncnc(Nc2ccc(cc2)[*:1])c1[N+](=O)[O-]
CC(=O)Nc1ccc(Nc2ncnc(N3CCCC[C@@H]3C)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)Nc1ncnc(c1[*:1])N1CCCC[C@@H]1C
CC(C)CCNC(=O)NC(=O)CSc1ccc(Cl)cc1 CC(C)[*:1] O=C(CSc1ccc(Cl)cc1)NC(=O)NCC[*:1]
CC(C)CCNC(=O)NC(=O)CSc1ccc(Cl)cc1 CC(C)C[*:1] O=C(CSc1ccc(Cl)cc1)NC(=O)NC[*:1]
CC(C)CCNC(=O)NC(=O)CSc1ccc(Cl)cc1 CC(C)CC[*:1] O=C(CSc1ccc(Cl)cc1)NC(=O)N[*:1]
COc1ccc(CCC(=O)NC[C@@H](O)c2sccc2C)cc1 Cc1ccsc1[*:1] COc1ccc(cc1)CCC(=O)NC[C@@H](O)[*:1]
Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)COc2ccc(cc2)[N+](=O)[O-])c(C)n1[*:1]
Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2)c(C)n1C1CC1 O=[N+]([O-])[*:1] Cc1cc(C(=O)COc2ccc(cc2)[*:1])c(C)n1C1CC1
Cc1[nH]c(SCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)nc1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1[nH]c(nc1C[*:1])SCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C
Cc1[nH]c(SCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)nc1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1[nH]c(nc1[*:1])SCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C
Cc1ccc(-c2nnc(C)c(N3CCCCC3)n2)cc1 C1CCN(CC1)[*:1] Cc1ccc(cc1)-c1nnc(C)c(n1)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@H]1C COC(=O)[*:1] Cc1cc(C)c(c(C)c1C(=O)N1C[C@@H](C)[C@@H](C1)[*:1])[N+](=O)[O-]
COC(=O)[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@H]1C O=[N+]([O-])[*:1] COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)c1c(C)cc(C)c(c1C)[*:1]
O=C1N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1N[C@@H](CC2C[NH+]=c3ccccc3=2)C(=O)N1[*:1]
CSc1nc(C2CC2)cc(C(=O)N2CCNC(=O)C2)c1C#N C1CC1[*:1] CSc1nc(cc(C(=O)N2CCNC(=O)C2)c1C#N)[*:1]
CCCN(CCO)C(=O)Nc1nc(C)c(-c2ccccc2)s1 OCC[*:1] CCCN(C(=O)Nc1nc(C)c(s1)-c1ccccc1)[*:1]
CCCN(CCO)C(=O)Nc1nc(C)c(-c2ccccc2)s1 CCC[*:1] Cc1nc(NC(=O)N(CCO)[*:1])sc1-c1ccccc1
CCCN(CCO)C(=O)Nc1nc(C)c(-c2ccccc2)s1 c1ccc(cc1)[*:1] CCCN(CCO)C(=O)Nc1nc(C)c(s1)[*:1]
Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3)s1 Cc1ncc(s1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1ccc2NC(=O)Cc2c1
CCCc1nc(NCc2ccc3c(c2)C[C@H](C)O3)c2cnn(C)c2n1 CCC[*:1] C[C@H]1Cc2cc(ccc2O1)CNc1nc(nc2c1cnn2C)[*:1]
C[C@@]1([N+](=O)[O-])C[C@H]2C=C[C@@H]1C2 O=[N+]([O-])[*:1] C[C@]1(C[C@H]2C=C[C@@H]1C2)[*:1]
COc1ccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@H]3c3ccc4c(c3)OCO4)N2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)C1=NN2C(=NC(C)=C(C(N)=O)[C@@H]2[*:1])N1
COc1ccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@H]3c3ccc4c(c3)OCO4)N2)cc1 COc1ccc(cc1)[*:1] CC1N=C2NC(=NN2[C@@H](C=1C(N)=O)c1ccc2OCOc2c1)[*:1]
COc1ccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@H]3c3ccc4c(c3)OCO4)N2)cc1 NC(=O)[*:1] COc1ccc(cc1)C1=NN2C(=NC(C)=C([C@H]2c2ccc3OCOc3c2)[*:1])N1
Cc1ccc(Cl)cc1N1C(=O)[C@H]([C@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)C(O)=N[C@@H]1O Cc1ccc(Cl)cc1[*:1] O=C1[C@@H](C(O)=N[C@H](O)N1[*:1])[C@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
CCc1ccc([C@@H]2C[C@H](c3cc(OC)c(OC)c(OC)c3)n3nnnc3N2)cc1 CCc1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)[C@H]1C[C@H](Nc2nnnn21)[*:1]
Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccno3)CC2)cc1N1CCCC1=O c1cc(on1)[*:1] Cc1ccc(cc1N1CCCC1=O)NC(=O)C(=O)NCC1CCN(CC1)C(=O)[*:1]
Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccno3)CC2)cc1N1CCCC1=O O=C1CCCN1[*:1] Cc1ccc(cc1[*:1])NC(=O)C(=O)NCC1CCN(CC1)C(=O)c1ccno1
COc1ccc2c(c1)=C[C@@H]([C@@H]1[NH+]=C3C=CC=CN3[C@@H]1Nc1ccc(C)cc1C)C(=O)[NH+]=2 Cc1ccc(N[*:1])c(C)c1 COc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]1[NH+]=C2C=CC=CN2[C@H]1[*:1]
COc1ccc2c(c1)=C[C@@H]([C@@H]1[NH+]=C3C=CC=CN3[C@@H]1Nc1ccc(C)cc1C)C(=O)[NH+]=2 Cc1ccc(c(C)c1)[*:1] COc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]1[NH+]=C2C=CC=CN2[C@@H]1N[*:1]
NC(=O)[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 NC(=O)[*:1] O=C(Nc1cccc(c1)N[C@H](c1ccccc1)[*:1])c1ccccc1
NC(=O)[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](Nc1cccc(c1)NC(=O)c1ccccc1)[*:1]
NC(=O)[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](Nc1cccc(c1)NC(=O)[*:1])c1ccccc1
CC[C@H]1CCCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[C@H]1CCCCN1C(=O)NCCc1ccccc1[*:1]
O=C(CCS(=O)(=O)Cc1ccncc1)N1CCc2ccccc21 c1cc(ccn1)[*:1] O=C(CCS(=O)(=O)C[*:1])N1CCc2ccccc21
O=C(CCS(=O)(=O)Cc1ccncc1)N1CCc2ccccc21 c1cc(ccn1)C[*:1] O=C(CCS(=O)(=O)[*:1])N1CCc2ccccc21
Cc1ccc2nc(CCl)n([C@@H](C)CS(C)(=O)=O)c2c1 CS(=O)(=O)[*:1] Cc1ccc2nc(CCl)n(c2c1)[C@@H](C)C[*:1]
Cc1ccc2nc(CCl)n([C@@H](C)CS(C)(=O)=O)c2c1 CS(=O)(=O)C[*:1] Cc1ccc2nc(CCl)n(c2c1)[C@@H](C)[*:1]
Cc1cc(C)c2c(c1)=[NH+][C@@H](C(=O)NCc1ccccc1)C=2 c1ccc(cc1)C[*:1] Cc1cc(C)c2=C[C@@H]([NH+]=c2c1)C(=O)N[*:1]
Cc1cc(C)c2c(c1)=[NH+][C@@H](C(=O)NCc1ccccc1)C=2 c1ccc(cc1)[*:1] Cc1cc(C)c2=C[C@@H]([NH+]=c2c1)C(=O)NC[*:1]
COc1ccc(C[C@@H](C#N)C(=O)[O-])cc1OC O=C([O-])[*:1] COc1ccc(cc1OC)C[C@@H](C#N)[*:1]
CN(Cc1nccn1C(F)F)C(=O)c1cc(Cl)c[nH]1 FC(F)[*:1] CN(Cc1nccn1[*:1])C(=O)c1cc(Cl)c[nH]1
CN(Cc1nccn1C(F)F)C(=O)c1cc(Cl)c[nH]1 Clc1c[nH]c(c1)[*:1] CN(Cc1nccn1C(F)F)C(=O)[*:1]
CCCN(C(=O)N1CCC(C)CC1)[C@@H]1CC[NH2+]C1 CCC[*:1] CC1CCN(CC1)C(=O)N([C@@H]1CC[NH2+]C1)[*:1]
CC(C)(C)NC(=S)NC(=O)c1ccccc1Br CC(C)(C)[*:1] O=C(NC(=S)N[*:1])c1ccccc1Br
CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl CCOC(=O)[*:1] O=C1NC(CN2CCN(CC2)c2ccccc2)=C([C@H](N1)c1ccccc1Cl)[*:1]
CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl c1ccc(cc1)[*:1] CCOC(=O)C1=C(CN2CCN(CC2)[*:1])NC(=O)N[C@@H]1c1ccccc1Cl
CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] CCOC(=O)C1=C(CN2CCN(CC2)c2ccccc2)NC(=O)N[C@H]1[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+]CCCc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH2+]CCC[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+]CCCc2ccccc2)o1 Cc1ccc(o1)[*:1] c1ccc(cc1)CCC[NH2+]Cc1c[nH]nc1[*:1]
Cc1ccc(-c2n[nH]cc2C[NH2+]CCCc2ccccc2)o1 c1ccc(cc1)C[*:1] Cc1ccc(o1)-c1n[nH]cc1C[NH2+]CC[*:1]
Cc1cc(CNC(=O)c2ccccc2C(=O)c2ccccc2)on1 Cc1cc(C[*:1])on1 O=C(N[*:1])c1ccccc1C(=O)c1ccccc1
Cc1cc(CNC(=O)c2ccccc2C(=O)c2ccccc2)on1 c1ccc(cc1)[*:1] Cc1cc(CNC(=O)c2ccccc2C(=O)[*:1])on1
Cc1cc(CNC(=O)c2ccccc2C(=O)c2ccccc2)on1 Cc1cc(on1)[*:1] O=C(NC[*:1])c1ccccc1C(=O)c1ccccc1
Cc1cc(CNC(=O)c2ccccc2C(=O)c2ccccc2)on1 O=C(c1ccccc1)[*:1] Cc1cc(CNC(=O)c2ccccc2[*:1])on1
COc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)C[*:1] COc1ccc(cc1)OCC(=O)N1CC[NH+](CC1)[*:1]
COc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)N1CC[NH+](CC1)C[*:1]
COc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CO[*:1])N1CC[NH+](CC1)Cc1ccc(Cl)cc1
O=C(CC1CCC1)Nc1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] O=C(CC1CCC1)Nc1ccc(cc1)[*:1]
O=C(CC1CCC1)Nc1ccc(Cn2cccn2)cc1 C1CC(C1)[*:1] O=C(C[*:1])Nc1ccc(cc1)Cn1cccn1
O=C(CC1CCC1)Nc1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] O=C(CC1CCC1)Nc1ccc(cc1)C[*:1]
O=C(CC1CCC1)Nc1ccc(Cn2cccn2)cc1 C1CC(C1)C[*:1] O=C(Nc1ccc(cc1)Cn1cccn1)[*:1]
N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccccn2)cs1 N#Cc1ccccc1[*:1] O=C(CO[*:1])Nc1nc(cs1)-c1ccccn1
N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccccn2)cs1 c1ccc(nc1)[*:1] N#Cc1ccccc1OCC(=O)Nc1nc(cs1)[*:1]
Cc1cc(NCC[NH2+]C(C)(C)C)ncc1[N+](=O)[O-] CC(C)(C)[*:1] Cc1cc(ncc1[N+](=O)[O-])NCC[NH2+][*:1]
Cc1cc(NCC[NH2+]C(C)(C)C)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])NCC[NH2+]C(C)(C)C
CCOc1cccc(NCc2ccc(Cl)cc2Cl)c1 CCO[*:1] Clc1ccc(CNc2cccc(c2)[*:1])c(Cl)c1
O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 Fc1ccc(F)c(c1)[*:1] O=C(Nc1ccc2nc([nH]c2c1)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(Nc1ccc2nc([nH]c2c1)-c1cc(F)ccc1F)[*:1]
O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(Nc1ccc2nc([nH]c2c1)-c1cc(F)ccc1F)c1ccc(cc1)[*:1]
COc1cc(NC(=O)c2nnn(CC(=O)Nc3cccc(C)c3C)c2N)cc(OC)c1 Cc1cccc(c1C)[*:1] COc1cc(cc(c1)OC)NC(=O)c1nnn(CC(=O)N[*:1])c1N
COc1cc(NC(=O)c2nnn(CC(=O)Nc3cccc(C)c3C)c2N)cc(OC)c1 COc1cc(cc(c1)[*:1])OC Cc1cccc(NC(=O)Cn2nnc(C(=O)N[*:1])c2N)c1C
CCN(CC)c1ncc(NC(=O)c2ccc(C)cc2)cc1C(=O)[O-] CCN(CC)[*:1] Cc1ccc(cc1)C(=O)Nc1cnc(c(c1)C(=O)[O-])[*:1]
CCN(CC)c1ncc(NC(=O)c2ccc(C)cc2)cc1C(=O)[O-] Cc1ccc(cc1)[*:1] CCN(CC)c1ncc(cc1C(=O)[O-])NC(=O)[*:1]
CCN(CC)c1ncc(NC(=O)c2ccc(C)cc2)cc1C(=O)[O-] O=C([O-])[*:1] CCN(CC)c1ncc(cc1[*:1])NC(=O)c1ccc(C)cc1
N#Cc1ccc(/C=C/C[NH+]2CCC(n3cncn3)CC2)cc1 c1ncn(n1)[*:1] N#Cc1ccc(/C=C/C[NH+]2CCC(CC2)[*:1])cc1
C[C@@H]1CCC[C@@H](CNC(=O)C2(O)Cc3ccccc3C2)C1 C[C@@H]1CCC[C@@H](C1)[*:1] O=C(NC[*:1])C1(O)Cc2ccccc2C1
O=C([O-])[C@H](CCOCC(F)(F)F)c1ccccc1Br FC(F)(F)C[*:1] O=C([O-])[C@H](CCO[*:1])c1ccccc1Br
O=C([O-])[C@H](CCOCC(F)(F)F)c1ccccc1Br FC(F)(F)CO[*:1] O=C([O-])[C@H](CC[*:1])c1ccccc1Br
O=C([O-])[C@H](CCOCC(F)(F)F)c1ccccc1Br FC(F)(F)[*:1] O=C([O-])[C@H](CCOC[*:1])c1ccccc1Br
O=C([O-])[C@H](CCOCC(F)(F)F)c1ccccc1Br O=C([O-])[*:1] FC(F)(F)COCC[C@H](c1ccccc1Br)[*:1]
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C CC(=O)OC[*:1] C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@]1(O)C(=O)[*:1]
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C CC(=O)O[*:1] C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@]1(O)C(=O)C[*:1]
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C CC(=O)OCC(=O)[*:1] C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(O)[*:1]
C#Cc1cc(F)c(NC(=O)NC[C@@H](C)c2ccccc2OC)c(F)c1 COc1ccccc1[*:1] C#Cc1cc(F)c(NC(=O)NC[C@@H](C)[*:1])c(F)c1
CCNC(=O)Nc1cccc(NC(=O)[C@@H](C)NC(=O)CC2CCCCC2)c1 C1CCC(CC1)C[*:1] CCNC(=O)Nc1cccc(c1)NC(=O)[C@@H](C)NC(=O)[*:1]
CCNC(=O)Nc1cccc(NC(=O)[C@@H](C)NC(=O)CC2CCCCC2)c1 CCNC(=O)N[*:1] C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1cccc(c1)[*:1]
CCNC(=O)Nc1cccc(NC(=O)[C@@H](C)NC(=O)CC2CCCCC2)c1 C1CCC(CC1)[*:1] CCNC(=O)Nc1cccc(c1)NC(=O)[C@@H](C)NC(=O)C[*:1]
CCN(C(=O)CO[C@H]1CCC[C@H](C)C1)[C@@H](C)c1cccc(O)c1 Oc1cccc(c1)[*:1] CCN(C(=O)CO[C@H]1CCC[C@H](C)C1)[C@@H](C)[*:1]
CCN(C(=O)CO[C@H]1CCC[C@H](C)C1)[C@@H](C)c1cccc(O)c1 C[C@H]1CCC[C@@H](C1)[*:1] CCN(C(=O)CO[*:1])[C@@H](C)c1cccc(O)c1
Cc1noc(N)c1C(=O)OCC(=O)NC1CCCCCC1 C1CCCC(CC1)[*:1] Cc1noc(N)c1C(=O)OCC(=O)N[*:1]
Cc1noc(N)c1C(=O)OCC(=O)NC1CCCCCC1 Cc1noc(N)c1[*:1] O=C(COC(=O)[*:1])NC1CCCCCC1
Cc1cc([C@H]2OCCC[C@H]2C[NH2+]C(C)C)c(C)s1 CC(C)[*:1] Cc1cc(c(C)s1)[C@H]1OCCC[C@H]1C[NH2+][*:1]
O=C([C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] O=C([C@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)[*:1]
O=C([C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 FC(F)(F)c1ccc(cc1)[*:1] O=C([C@H]1C[C@@H]1[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
O=C([C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 FC(F)(F)[*:1] O=C([C@H]1C[C@H]1c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
O=C([C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] O=C([C@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CC1CCCC1 C1CCC(C1)[*:1] C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C[*:1]
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CC1CCCC1 Brc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)NNC(=O)CC1CCCC1
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CC1CCCC1 C1CCC(C1)C[*:1] C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[*:1]
C[C@H](C(=O)NNS(=O)(=O)c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] C[C@H](C(=O)NNS(=O)(=O)[*:1])N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12
C[C@H](C(=O)NNS(=O)(=O)c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] C[C@H](C(=O)NNS(=O)(=O)c1ccccc1)N1C(=O)c2ccccc2[C@@H]1[*:1]
C/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2ccccc2c1 O=[N+]([O-])[*:1] C/C(=N/NC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-])c1ccc2ccccc2c1
COC(=O)CNC(=O)CCN1CCO[C@@H](c2ccccc2Br)C1 COC(=O)[*:1] O=C(CCN1CCO[C@H](C1)c1ccccc1Br)NC[*:1]
COC(=O)CNC(=O)CCN1CCO[C@@H](c2ccccc2Br)C1 Brc1ccccc1[*:1] COC(=O)CNC(=O)CCN1CCO[C@@H](C1)[*:1]
COC(=O)CNC(=O)CCN1CCO[C@@H](c2ccccc2Br)C1 COC(=O)C[*:1] O=C(CCN1CCO[C@H](C1)c1ccccc1Br)N[*:1]
O=C(NC[C@@H]1CCCN(C(=O)C2=CCCCC2)C1)c1ccco1 c1coc(c1)[*:1] O=C(C1=CCCCC1)N1CCC[C@@H](CNC(=O)[*:1])C1
CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)S1 O=[N+]([O-])c1ccccc1[*:1] CC(=O)NC1=NN(C(C)=O)[C@@H](S1)c1ccc(cc1)OC[*:1]
CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)S1 O=[N+]([O-])[*:1] CC(=O)NC1=NN(C(C)=O)[C@@H](S1)c1ccc(cc1)OCc1ccccc1[*:1]
CCOc1cc(C=O)ccc1OCc1ccc(C(=O)[O-])cc1 CCO[*:1] O=Cc1ccc(OCc2ccc(cc2)C(=O)[O-])c(c1)[*:1]
CCOc1cc(C=O)ccc1OCc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] CCOc1cc(C=O)ccc1OCc1ccc(cc1)[*:1]
Cc1nc(C(C)(C)NCc2ccncc2)sc1C c1cc(ccn1)[*:1] Cc1nc(sc1C)C(C)(C)NC[*:1]
O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(NCc1ccc(s1)[C@H](O)c1cccs1)c1cc(on1)[*:1]
O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1cc(-c2ccccc2)on1 c1csc(c1)[*:1] O=C(NCc1ccc(s1)[C@H](O)[*:1])c1cc(on1)-c1ccccc1
COc1ccc(CC(=O)N(C)CCOc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)CC(=O)N(C)CCO[*:1]
Cc1cc(C)nc(Sc2cc(C)c(F)cc2[C@@H](C)O)n1 C[C@@H](O)[*:1] Cc1cc(C)nc(n1)Sc1cc(C)c(F)cc1[*:1]
O=C(NOCc1noc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NOCc1noc(n1)-c1cccs1)c1cccc(c1)[*:1]
O=C(NOCc1noc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1 c1csc(c1)[*:1] O=C(NOCc1noc(n1)[*:1])c1cccc(c1)C(F)(F)F
C[C@H]1CCCCN1C(=O)NCC1(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)NCC1(CC1)[*:1]
C[C@H](Nc1nn2cc(C(C)(C)C)nc2s1)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H](Nc1nn2cc(nc2s1)[*:1])C(=O)OC(C)(C)C
C[C@H](Nc1nn2cc(C(C)(C)C)nc2s1)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H](Nc1nn2cc(nc2s1)C(C)(C)C)C(=O)O[*:1]
C[C@H](Nc1nn2cc(C(C)(C)C)nc2s1)C(=O)OC(C)(C)C CC(C)(C)OC(=O)[*:1] C[C@H](Nc1nn2cc(nc2s1)C(C)(C)C)[*:1]
COc1ccc([C@H](NC(=O)c2cccc(OC)n2)c2nccn2C)cc1 Cn1ccnc1[*:1] COc1ccc(cc1)[C@H](NC(=O)c1cccc(n1)OC)[*:1]
COc1ccc([C@H](NC(=O)c2cccc(OC)n2)c2nccn2C)cc1 COc1ccc(cc1)[*:1] COc1cccc(n1)C(=O)N[C@H](c1nccn1C)[*:1]
COc1ccc([C@H](NC(=O)c2cccc(OC)n2)c2nccn2C)cc1 COc1cccc(n1)[*:1] COc1ccc(cc1)[C@H](NC(=O)[*:1])c1nccn1C
COc1ccc(-c2cc(C(=O)Nc3nc4c(s3)CCCC4)no2)cc1OC C1CCc2sc(nc2C1)[*:1] COc1ccc(cc1OC)-c1cc(no1)C(=O)N[*:1]
CSc1nc2ncc([C@@H](O)[C@@H](C)O)nc2c(=O)[nH]1 C[C@@H](O)[*:1] CSc1nc2ncc(nc2c(=O)[nH]1)[C@@H](O)[*:1]
CC(C)(C(=O)NNC(=O)Cc1ccc(Cl)cc1)c1cccc(C#N)c1 Clc1ccc(cc1)[*:1] CC(C)(C(=O)NNC(=O)C[*:1])c1cccc(C#N)c1
CC(C)(C(=O)NNC(=O)Cc1ccc(Cl)cc1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] CC(C)(C(=O)NNC(=O)Cc1ccc(Cl)cc1)[*:1]
CC(C)(C(=O)NNC(=O)Cc1ccc(Cl)cc1)c1cccc(C#N)c1 Clc1ccc(cc1)C[*:1] CC(C)(C(=O)NNC(=O)[*:1])c1cccc(C#N)c1
CCOc1ccccc1C(=O)N1CCN(C(=O)[C@H](C)OC)CC1 CCO[*:1] CO[C@@H](C)C(=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
CCCn1c(=O)n(CC(=O)Nc2ncc(C)s2)c2ccccc21 CCC[*:1] Cc1cnc(NC(=O)Cn2c(=O)n(c3ccccc32)[*:1])s1
CCCn1c(=O)n(CC(=O)Nc2ncc(C)s2)c2ccccc21 Cc1cnc(s1)[*:1] CCCn1c(=O)n(CC(=O)N[*:1])c2ccccc21
O=C(CSc1nnc2n1CCN2c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl c1ccc(cc1)[*:1] O=C(CSc1nnc2N(CCn12)[*:1])Nc1cc(ccc1Cl)C(F)(F)F
O=C(CSc1nnc2n1CCN2c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] O=C(CSc1nnc2N(CCn12)c1ccccc1)Nc1cc(ccc1Cl)[*:1]
C[C@@H](NC(=O)C[C@H]1CSCCS1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](NC(=O)C[C@H]1CSCCS1)[*:1]
Cc1ccc(-c2nn(CC(=O)c3ccc(Br)cc3)c(=S)o2)cc1 Brc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nn(CC(=O)[*:1])c(=S)o1
Cc1ccc(-c2nn(CC(=O)c3ccc(Br)cc3)c(=S)o2)cc1 Cc1ccc(cc1)[*:1] O=C(Cn1nc(oc1=S)[*:1])c1ccc(Br)cc1
COc1cccc([C@H](O)CNC(=O)c2ccnc(C3CC3)n2)c1 C1CC1[*:1] COc1cccc(c1)[C@H](O)CNC(=O)c1ccnc(n1)[*:1]
Cc1nc2ccc(NC(=O)N[C@H](CO)c3ccccc3)cc2s1 c1ccc(cc1)[*:1] Cc1nc2ccc(cc2s1)NC(=O)N[C@H](CO)[*:1]
C[NH+](Cc1cccc([N+](=O)[O-])c1)CC1CC[NH2+]CC1 O=[N+]([O-])[*:1] C[NH+](Cc1cccc(c1)[*:1])CC1CC[NH2+]CC1
C/[NH+]=C(/NCC1([NH+](C)C)CCOCC1)N1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)C[*:1] C/[NH+]=C(/NCC1(CCOCC1)[NH+](C)C)N1CC[C@@H](C1)[*:1]
C/[NH+]=C(/NCC1([NH+](C)C)CCOCC1)N1CC[C@@H](CN2CCOCC2)C1 C1CN(CCO1)[*:1] C/[NH+]=C(/NCC1(CCOCC1)[NH+](C)C)N1CC[C@H](C1)C[*:1]
CCOC(=O)c1cc(NC(=O)Cn2ccc3cc(Br)ccc32)ccc1Cl CCOC(=O)[*:1] O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(Cl)c(c1)[*:1]
Cc1cccc(CNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c1 O=C1CCS(=O)(=O)N1[*:1] Cc1cccc(c1)CNS(=O)(=O)c1cc(ccc1C)[*:1]
Cc1cccc(CNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c1 Cc1cccc(c1)C[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])N1C(=O)CCS1(=O)=O
Cc1cccc(CNS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c1 Cc1cccc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)NC[*:1])N1C(=O)CCS1(=O)=O
COC(=O)c1cc(S(=O)(=O)NCC(C)(C)c2ccncc2)cc(F)c1F COC(=O)[*:1] CC(C)(CNS(=O)(=O)c1cc(F)c(F)c(c1)[*:1])c1ccncc1
COC(=O)c1cc(S(=O)(=O)NCC(C)(C)c2ccncc2)cc(F)c1F c1cc(ccn1)[*:1] COC(=O)c1cc(cc(F)c1F)S(=O)(=O)NCC(C)(C)[*:1]
CCc1nnc(SCC(=O)Nc2ccc(C(=O)OC)cc2)n1C COC(=O)[*:1] CCc1nnc(SCC(=O)Nc2ccc(cc2)[*:1])n1C
Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@@H](C)CCCO OCC[*:1] Cc1cc(ccc1NC(=O)N[C@@H](C)C[*:1])SC(C)(C)C
Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@@H](C)CCCO CC(C)(C)[*:1] Cc1cc(ccc1NC(=O)N[C@@H](C)CCCO)S[*:1]
Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@@H](C)CCCO C[C@@H](CCCO)[*:1] Cc1cc(ccc1NC(=O)N[*:1])SC(C)(C)C
Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@@H](C)CCCO OCCC[*:1] Cc1cc(ccc1NC(=O)N[C@@H](C)[*:1])SC(C)(C)C
Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@@H](C)CCCO CC(C)(C)S[*:1] Cc1cc(ccc1NC(=O)N[C@@H](C)CCCO)[*:1]
CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc(N)cc(=O)[nH]1 CCOC(=O)[*:1] Nc1cc(=O)[nH]c(n1)SCc1[nH]c(=O)[nH]c1[*:1]
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(CC(N)=O)CC(N)=O)cc12 Fc1ccc(cc1)[*:1] Cc1nn(c2sc(cc12)C(=O)N(CC(N)=O)CC(N)=O)[*:1]
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(CC(N)=O)CC(N)=O)cc12 NC(=O)[*:1] Cc1nn(-c2ccc(F)cc2)c2sc(cc12)C(=O)N(CC(N)=O)C[*:1]
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(CC(N)=O)CC(N)=O)cc12 NC(=O)C[*:1] Cc1nn(-c2ccc(F)cc2)c2sc(cc12)C(=O)N(CC(N)=O)[*:1]
COc1ccc(OC)c([C@H](C)NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)c1 Fc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@H](C)NC(=O)Cc1c(C)nn(c1C)[*:1]
COc1ccc(OC)c([C@H](C)NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)c1 COc1ccc(OC)c(c1)[*:1] Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H](C)[*:1]
COc1ccc([C@@H](C)N(C)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](C)N(C)C(=O)NC[C@@H]([NH+](C)C)[*:1]
COc1ccc([C@@H](C)N(C)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[*:1]
CC[C@@H](COC)Nc1ncnc2sc(C(=O)N3CCOCC3)c(C)c12 CC[C@@H](COC)N[*:1] Cc1c(sc2ncnc(c12)[*:1])C(=O)N1CCOCC1
CC[C@@H](COC)Nc1ncnc2sc(C(=O)N3CCOCC3)c(C)c12 COC[*:1] CC[C@@H](Nc1ncnc2sc(C(=O)N3CCOCC3)c(C)c12)[*:1]
CC[C@@H](COC)Nc1ncnc2sc(C(=O)N3CCOCC3)c(C)c12 O=C(N1CCOCC1)[*:1] CC[C@@H](COC)Nc1ncnc2sc(c(C)c12)[*:1]
CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 CC[C@H](C)NC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])[C@@H]1Cc2cc(Cl)ccc2O1
CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 CC[C@H](C)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1
CCOc1cc(C[NH+]2CCNC(=O)C2(C)C)cc(Br)c1OC CCO[*:1] COc1c(Br)cc(cc1[*:1])C[NH+]1CCNC(=O)C1(C)C
O=C(NCc1cccs1)N1CCN(c2nc3ccc(F)cc3s2)CC1 c1csc(c1)[*:1] O=C(NC[*:1])N1CCN(CC1)c1nc2ccc(F)cc2s1
O=C(NCc1cccs1)N1CCN(c2nc3ccc(F)cc3s2)CC1 c1csc(c1)C[*:1] O=C(N[*:1])N1CCN(CC1)c1nc2ccc(F)cc2s1
Cc1cc(C)c(CSc2nnc(-c3ccccc3)n2N)c(C)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(CSc2nnc(n2N)[*:1])c(C)c1
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c2nc3n(c2n1)CCCCC3 Cc1cccc(O[*:1])c1C Cc1cc(C(=O)NNC(=O)[C@H](C)[*:1])c2nc3CCCCCn3c2n1
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c2nc3n(c2n1)CCCCC3 Cc1cccc(c1C)[*:1] Cc1cc(C(=O)NNC(=O)[C@H](C)O[*:1])c2nc3CCCCCn3c2n1
CCN(CC(C)(C)O)S(=O)(=O)C[C@H](C)CCl CC(C)(O)C[*:1] CCN(S(=O)(=O)C[C@H](C)CCl)[*:1]
CCN(CC(C)(C)O)S(=O)(=O)C[C@H](C)CCl C[C@H](CCl)C[*:1] CCN(CC(C)(C)O)S(=O)(=O)[*:1]
CCN(CC(C)(C)O)S(=O)(=O)C[C@H](C)CCl CC(C)(O)[*:1] CCN(C[*:1])S(=O)(=O)C[C@H](C)CCl
CCN(CC(C)(C)O)S(=O)(=O)C[C@H](C)CCl C[C@H](CCl)[*:1] CCN(CC(C)(C)O)S(=O)(=O)C[*:1]
CCCOc1ncnc(Sc2ccc(F)c(F)c2)c1N CCCO[*:1] Nc1c(ncnc1[*:1])Sc1ccc(F)c(F)c1
CCCOc1ncnc(Sc2ccc(F)c(F)c2)c1N CCC[*:1] Nc1c(ncnc1Sc1ccc(F)c(F)c1)O[*:1]
CCCc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N(C)C)c2)cc1 CN(C)C(=O)[*:1] CCCc1ccc(cc1)S(=O)(=O)Nc1cnc(c(c1)[*:1])N1CC[NH2+]CC1
CCCc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N(C)C)c2)cc1 CCC[*:1] CN(C)C(=O)c1cc(cnc1N1CC[NH2+]CC1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCCc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N(C)C)c2)cc1 CCCc1ccc(cc1)[*:1] CN(C)C(=O)c1cc(cnc1N1CC[NH2+]CC1)NS(=O)(=O)[*:1]
C/C(=C/C(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1OC(F)F FC(F)[*:1] C/C(=C/C(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1O[*:1]
C/C(=C/C(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1OC(F)F FC(F)O[*:1] C/C(=C/C(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1[*:1]
O=C(CCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1)NC1CC1 C1CC1[*:1] O=C(CCCNC(=O)NC1CCC(CC1)[NH+]1CCCCC1)N[*:1]
O=C(CCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1)NC1CC1 O=C(CC[*:1])NC1CC1 O=C(NC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
O=C(CCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NCCC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
O=C(CCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(NCC[*:1])NC1CCC(CC1)[NH+]1CCCCC1
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NC2CCOCC2)cs1 C1CC(CCO1)[*:1] CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[*:1])cs1
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NC2CCOCC2)cs1 c1ccc(cc1)[*:1] CC(=O)N(c1nc(/C=C/C(=O)NC2CCOCC2)cs1)[*:1]
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccnc3)sc2c1 c1cncc(c1)[*:1] CCOc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)c2ccc(cc2)OC)[C@@H]1[*:1]
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccnc3)sc2c1 COc1ccc(cc1)[*:1] CCOc1ccc2nc(sc2c1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1cccnc1
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccnc3)sc2c1 CCO[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2nc3ccc(cc3s2)[*:1])[C@@H]1c1cccnc1
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccnc3)sc2c1 COc1ccc(cc1)C(=O)[*:1] CCOc1ccc2nc(sc2c1)N1C(=O)C([O-])=C([C@H]1c1cccnc1)[*:1]
C#CCN1CCN(CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 CC(C)(C)[*:1] C#CCN1CCN(CC1)CCS(=O)(=O)c1ccc(cc1)[*:1]
C#CCN1CCN(CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 C#CC[*:1] CC(C)(C)c1ccc(cc1)S(=O)(=O)CCN1CCN(CC1)[*:1]
CC(=O)N1CCC(C(=O)NCC(C)(C)CC(C)C)CC1 CC(C)[*:1] CC(=O)N1CCC(CC1)C(=O)NCC(C)(C)C[*:1]
CC(=O)N1CCC(C(=O)NCC(C)(C)CC(C)C)CC1 CC(C)C[*:1] CC(=O)N1CCC(CC1)C(=O)NCC(C)(C)[*:1]
Cc1cc(Cl)ccc1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 Cc1cc(Cl)ccc1[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N(C)CC(=O)N[*:1]
CCC(CC)S(=O)(=O)/N=C(\[O-])c1ccc2ccccc2c1 CCC(CC)[*:1] O=S(=O)(/N=C(\[O-])c1ccc2ccccc2c1)[*:1]
CC(=O)Nc1cc(F)cc(C(F)(F)F)c1 CC(=O)N[*:1] Fc1cc(cc(c1)[*:1])C(F)(F)F
CC(=O)Nc1cc(F)cc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(=O)Nc1cc(F)cc(c1)[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)NCCc2cccs2)c(C)c1 c1csc(c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)[C@@H](C)C(=O)NCC[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)NCCc2cccs2)c(C)c1 c1csc(c1)CC[*:1] Cc1ccc(c(C)c1)S(=O)(=O)[C@@H](C)C(=O)N[*:1]
Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)NCCc2cccs2)c(C)c1 c1csc(c1)C[*:1] Cc1ccc(c(C)c1)S(=O)(=O)[C@@H](C)C(=O)NC[*:1]
O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1)c1cccc(c1)[*:1]
COc1ccc(C)cc1[C@@](C)(O)C1(C)CC1 CC1(CC1)[*:1] COc1ccc(C)cc1[C@@](C)(O)[*:1]
C[C@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)NCCc1ccc(cc1)C(F)(F)F)[*:1]
C[C@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1nncn1C FC(F)(F)[*:1] C[C@H](NC(=O)NCCc1ccc(cc1)[*:1])c1nncn1C
O=C(Oc1ccc2cn[nH]c2c1)c1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] O=C(Oc1ccc2cn[nH]c2c1)c1cnn(c1)[*:1]
COc1ccc2c(c1)c1ncnc(N3CCN(CCO)CC3)c1n2C OCC[*:1] COc1ccc2c(c1)c1ncnc(c1n2C)N1CCN(CC1)[*:1]
NC(=O)c1ccc(C(=O)Oc2ccc(N3CCCC3=O)cc2)nc1 NC(=O)[*:1] O=C(Oc1ccc(cc1)N1CCCC1=O)c1ccc(cn1)[*:1]
NC(=O)c1ccc(C(=O)Oc2ccc(N3CCCC3=O)cc2)nc1 O=C1CCCN1[*:1] NC(=O)c1ccc(nc1)C(=O)Oc1ccc(cc1)[*:1]
Cc1csc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)cc2F)n1 Cc1csc(C[*:1])n1 O=C(c1ccc(Br)cc1F)N(C[C@@H]1CCCO1)[*:1]
Cc1csc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)cc2F)n1 Fc1cc(Br)ccc1[*:1] Cc1csc(CN(C[C@@H]2CCCO2)C(=O)[*:1])n1
Cc1csc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)cc2F)n1 Cc1csc(n1)[*:1] O=C(c1ccc(Br)cc1F)N(C[C@@H]1CCCO1)C[*:1]
Cc1csc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)cc2F)n1 C1CO[C@@H](C1)C[*:1] Cc1csc(CN(C(=O)c2ccc(Br)cc2F)[*:1])n1
Cc1csc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)cc2F)n1 C1CO[C@@H](C1)[*:1] Cc1csc(CN(C[*:1])C(=O)c2ccc(Br)cc2F)n1
FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)n2)cc1 c1ccc2[nH]c(nc2c1)[*:1] FC(F)(F)c1ccc(cc1)-c1noc(C[NH+]2CCC(CC2)[*:1])n1
FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)n2)cc1 FC(F)(F)c1ccc(cc1)[*:1] c1ccc2[nH]c(nc2c1)C1CC[NH+](CC1)Cc1nc(no1)[*:1]
FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)n2)cc1 FC(F)(F)[*:1] c1ccc2[nH]c(nc2c1)C1CC[NH+](CC1)Cc1nc(no1)-c1ccc(cc1)[*:1]
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O Cc1ccccc1[*:1] O=C(CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O)N[*:1]
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O Oc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)CN1C(=O)SC(=C[*:1])C1=O
CC(C)CCNC(=O)Nc1ccccc1OC(C)C CC(C)[*:1] CC(C)Oc1ccccc1NC(=O)NCC[*:1]
CC(C)CCNC(=O)Nc1ccccc1OC(C)C CC(C)C[*:1] CC(C)Oc1ccccc1NC(=O)NC[*:1]
CC(C)CCNC(=O)Nc1ccccc1OC(C)C CC(C)CC[*:1] CC(C)Oc1ccccc1NC(=O)N[*:1]
CC(C)CCNC(=O)Nc1ccccc1OC(C)C CC(C)[*:1] CC(C)CCNC(=O)Nc1ccccc1O[*:1]
CC(C)CCNC(=O)Nc1ccccc1OC(C)C CC(C)O[*:1] CC(C)CCNC(=O)Nc1ccccc1[*:1]
Cc1ccc(N2CCC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)nn1 C1CCC(C1)O[*:1] Cc1ccc(nn1)N1CCC[NH+](CC1)Cc1cccc(c1)[*:1]
Cc1ccc(N2CCC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)nn1 Cc1ccc(nn1)[*:1] c1cc(cc(c1)OC1CCCC1)C[NH+]1CCCN(CC1)[*:1]
Cc1ccc(N2CCC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)nn1 C1CCC(C1)[*:1] Cc1ccc(nn1)N1CCC[NH+](CC1)Cc1cccc(c1)O[*:1]
C[C@@H](c1ncc(C(C)(C)C)o1)[S@@](=O)Cc1ccccc1 CC(C)(C)[*:1] C[C@@H](c1ncc(o1)[*:1])[S@@](=O)Cc1ccccc1
C[C@@H](c1ncc(C(C)(C)C)o1)[S@@](=O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](c1ncc(o1)C(C)(C)C)[S@@](=O)C[*:1]
CC[NH2+]C[C@@H](Cc1nc(C)cs1)Cc1ccccc1F Cc1csc(n1)[*:1] CC[NH2+]C[C@H](Cc1ccccc1F)C[*:1]
O=C(N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1)C1(c2ccccc2)CC1 Clc1ccc(cc1)[*:1] O=C(N1CCC(CC1)NS(=O)(=O)[*:1])C1(CC1)c1ccccc1
O=C(N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1)C1(c2ccccc2)CC1 c1ccc(cc1)C1(CC1)[*:1] O=C(N1CCC(CC1)NS(=O)(=O)c1ccc(Cl)cc1)[*:1]
O=C(N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1)C1(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(N1CCC(CC1)NS(=O)(=O)c1ccc(Cl)cc1)C1(CC1)[*:1]
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1 Cc1ccc(C)c(c1)C(=O)[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1[*:1]
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1 Cc1ccc(C)c(c1)[*:1] CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1C(=O)[*:1]
COc1ccc(-c2ccccc2CC2(C(=O)N3CCC[C@H](C(N)=O)C3)CCOCC2)cc1 NC(=O)[*:1] COc1ccc(cc1)-c1ccccc1CC1(CCOCC1)C(=O)N1CCC[C@H](C1)[*:1]
COc1ccc(-c2ccccc2CC2(C(=O)N3CCC[C@H](C(N)=O)C3)CCOCC2)cc1 COc1ccc(cc1)[*:1] NC(=O)[C@H]1CCCN(C1)C(=O)C1(CCOCC1)Cc1ccccc1[*:1]
CC[C@H]1c2cccn2CCN1C(=O)CCCS(N)(=O)=O NS(=O)(=O)CC[*:1] CC[C@H]1c2cccn2CCN1C(=O)C[*:1]
CC[C@H]1c2cccn2CCN1C(=O)CCCS(N)(=O)=O NS(=O)(=O)C[*:1] CC[C@H]1c2cccn2CCN1C(=O)CC[*:1]
CC[C@H]1c2cccn2CCN1C(=O)CCCS(N)(=O)=O NS(=O)(=O)[*:1] CC[C@H]1c2cccn2CCN1C(=O)CCC[*:1]
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C O=C1c2cccnc2C(=O)N1[*:1] COc1ccc(cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C)C[*:1]
CCOC1CCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 CCO[*:1] O=C(c1cccc(c1)-c1ccoc1)N1CCC(CC1)[*:1]
CCOC1CCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 c1cc(co1)[*:1] CCOC1CCN(CC1)C(=O)c1cccc(c1)[*:1]
CC[C@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2c1=O CC[C@H](C)NC(=O)[*:1] Cc1cc(C)cc(c1)NS(=O)(=O)c1ccc2[nH]cc(c(=O)c2c1)[*:1]
CC[C@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2c1=O Cc1cc(C)cc(c1)[*:1] CC[C@H](C)NC(=O)c1c[nH]c2ccc(cc2c1=O)S(=O)(=O)N[*:1]
NC(=O)c1cccnc1N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 c1ccc(cc1)[*:1] NC(=O)c1cccnc1N1CCC[C@@H](C1)c1[nH]ncc1C[*:1]
NC(=O)c1cccnc1N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 NC(=O)[*:1] c1ccc(cc1)Cc1cn[nH]c1[C@H]1CCCN(C1)c1ncccc1[*:1]
NC(=O)c1cccnc1N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] NC(=O)c1cccnc1N1CCC[C@@H](C1)c1[nH]ncc1[*:1]
NC(=O)c1cccnc1N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 NC(=O)c1cccnc1[*:1] c1ccc(cc1)Cc1cn[nH]c1[C@H]1CCCN(C1)[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)NCCCC(C)(C)CO)[nH]c2c1 CC(C)(CO)[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)NCCC[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)NCCCC(C)(C)CO)[nH]c2c1 CC(C)(CO)CC[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)NC[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)NCCCC(C)(C)CO)[nH]c2c1 CC(C)(CO)CCC[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)N[*:1]
Cc1ccc2nc([C@H]3CCCN3C(=O)NCCCC(C)(C)CO)[nH]c2c1 CC(C)(CO)C[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN1C(=O)NCC[*:1]
O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCCO2)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2OCCOc2c1)N[*:1]
O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCCO2)NC1CCCCC1 O=C(N[*:1])c1ccco1 O=C(CN(C(=O)C[*:1])c1ccc2OCCOc2c1)NC1CCCCC1
O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCCO2)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(NCC(=O)N(C[*:1])c1ccc2OCCOc2c1)c1ccco1
O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCCO2)NC1CCCCC1 O=C(C[*:1])NC1CCCCC1 O=C(NCC(=O)N(c1ccc2OCCOc2c1)[*:1])c1ccco1
O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCCO2)NC1CCCCC1 O=C(NC[*:1])c1ccco1 O=C(CN(C(=O)[*:1])c1ccc2OCCOc2c1)NC1CCCCC1
O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCCO2)NC1CCCCC1 c1cc2OCCOc2cc1[*:1] O=C(CN(C(=O)CNC(=O)c1ccco1)[*:1])NC1CCCCC1
O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCCO2)NC1CCCCC1 c1coc(c1)[*:1] O=C(CN(C(=O)CNC(=O)[*:1])c1ccc2OCCOc2c1)NC1CCCCC1
CCCc1c(O)ccc2c(C(F)(F)F)noc12 CCC[*:1] Oc1ccc2c(noc2c1[*:1])C(F)(F)F
CCCc1c(O)ccc2c(C(F)(F)F)noc12 FC(F)(F)[*:1] CCCc1c(O)ccc2c(noc12)[*:1]
CCC[C@@H]1C(=O)NC(=O)C[C@H]1c1ccccc1CC CCC[*:1] CCc1ccccc1[C@@H]1CC(=O)NC(=O)[C@H]1[*:1]
Cc1ccc2ncc(C(=O)NCC(=O)NC3CCCCC3)n2c1 C1CCC(CC1)[*:1] Cc1ccc2ncc(C(=O)NCC(=O)N[*:1])n2c1
Cc1ccc([C@@H](C)CNC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1 Cn1cc(cn1)[*:1] Cc1ccc(cc1)[C@@H](C)CNC(=O)N[C@@H]1CCCN(C1)[*:1]
Cc1ccc([C@@H](C)CNC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N[C@@H]1CCCN(C1)c1cnn(C)c1)[*:1]
COc1ccc(-c2nc(CSc3nnnn3-c3ccc(C)cc3)cs2)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(-c2nc(cs2)CSc2nnnn2[*:1])c(c1)OC
Cc1cc2cc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)oc2cc1C O[C@@H](c1ccccc1)[*:1] Cc1cc2cc(oc2cc1C)C(=O)N1CCC(CC1)[*:1]
Cc1cc2cc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)oc2cc1C c1ccc(cc1)[*:1] Cc1cc2cc(oc2cc1C)C(=O)N1CCC(CC1)[C@@H](O)[*:1]
COCC[C@]1(CO)CCCN(C(=O)CCc2c(C)n[nH]c2C)C1 COC[*:1] Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@](CO)(C1)C[*:1]
COCC[C@]1(CO)CCCN(C(=O)CCc2c(C)n[nH]c2C)C1 COCC[*:1] Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@](CO)(C1)[*:1]
COCC[C@]1(CO)CCCN(C(=O)CCc2c(C)n[nH]c2C)C1 Cc1n[nH]c(C)c1[*:1] COCC[C@]1(CO)CCCN(C1)C(=O)CC[*:1]
CCN(CC(=O)NC)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 CNC(=O)[*:1] CCN(C[*:1])C(=O)c1ccc(cc1)Cn1nc(C)cc1C
CCN(CC(=O)NC)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 Cc1cc(C)n(C[*:1])n1 CCN(CC(=O)NC)C(=O)c1ccc(cc1)[*:1]
CCN(CC(=O)NC)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 Cc1cc(C)n(n1)[*:1] CCN(CC(=O)NC)C(=O)c1ccc(cc1)C[*:1]
CCN(CC(=O)NC)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 CNC(=O)C[*:1] CCN(C(=O)c1ccc(cc1)Cn1nc(C)cc1C)[*:1]
Cc1cccc([C@@H]2C(=O)NC(=O)C[C@@]23CCCC[C@@H]3C)c1 Cc1cccc(c1)[*:1] C[C@H]1CCCC[C@@]12CC(=O)NC(=O)[C@H]2[*:1]
CCn1cc(C(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)c(C)n1 CCn1cc(c(C)n1)[*:1] COc1ccc2c(c1)NC1(CCN(CC1)C(=O)[*:1])c1cccn1-2
O=C(COc1ccccc1)NC1CCN(c2ncc3c(n2)CCOC3)CC1 c1ccc(cc1)[*:1] O=C(CO[*:1])NC1CCN(CC1)c1ncc2COCCc2n1
O=C(COc1ccccc1)NC1CCN(c2ncc3c(n2)CCOC3)CC1 c1ccc(cc1)O[*:1] O=C(C[*:1])NC1CCN(CC1)c1ncc2COCCc2n1
O=C(COc1ccccc1)NC1CCN(c2ncc3c(n2)CCOC3)CC1 c1ccc(cc1)OC[*:1] O=C(NC1CCN(CC1)c1ncc2COCCc2n1)[*:1]
CC(C)Cn1nc(C(=O)Nc2nnc(C(C)C)s2)c2ccccc2c1=O CC(C)c1nnc(s1)[*:1] CC(C)Cn1nc(C(=O)N[*:1])c2ccccc2c1=O
CC(C)Cn1nc(C(=O)Nc2nnc(C(C)C)s2)c2ccccc2c1=O CC(C)[*:1] CC(C)c1nnc(NC(=O)c2nn(C[*:1])c(=O)c3ccccc23)s1
CC(C)Cn1nc(C(=O)Nc2nnc(C(C)C)s2)c2ccccc2c1=O CC(C)C[*:1] CC(C)c1nnc(NC(=O)c2nn(c(=O)c3ccccc23)[*:1])s1
CC(C)Cn1nc(C(=O)Nc2nnc(C(C)C)s2)c2ccccc2c1=O CC(C)[*:1] CC(C)Cn1nc(C(=O)Nc2nnc(s2)[*:1])c2ccccc2c1=O
CC(C)CN1CCn2cc(C(=O)NCc3ccc(F)cc3Cl)[nH+]c2C1 CC(C)[*:1] O=C(NCc1ccc(F)cc1Cl)c1cn2CCN(Cc2[nH+]1)C[*:1]
CC(C)CN1CCn2cc(C(=O)NCc3ccc(F)cc3Cl)[nH+]c2C1 CC(C)C[*:1] O=C(NCc1ccc(F)cc1Cl)c1cn2CCN(Cc2[nH+]1)[*:1]
CC(C)CN1CCn2cc(C(=O)NCc3ccc(F)cc3Cl)[nH+]c2C1 Fc1ccc(c(Cl)c1)[*:1] CC(C)CN1CCn2cc([nH+]c2C1)C(=O)NC[*:1]
C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 C[C@@H](c1ccc(F)cc1)[*:1] O=S(=O)(c1cccc(c1)C(F)(F)F)N1CCN(CC1)[*:1]
C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] C[C@@H](c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 Fc1ccc(cc1)[*:1] C[C@@H](N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
COc1ccc2c(c1)CC[C@@](C)(CCC(=O)[O-])C2=O O=C([O-])C[*:1] COc1ccc2C(=O)[C@@](C)(CCc2c1)C[*:1]
COc1ccc2c(c1)CC[C@@](C)(CCC(=O)[O-])C2=O O=C([O-])[*:1] COc1ccc2C(=O)[C@@](C)(CCc2c1)CC[*:1]
C[C@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1cccnc1 c1cncc(c1)[*:1] C[C@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)[*:1]
C[C@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@H](C)C[C@H](O)[*:1])c1cccnc1
Cc1cc(C(=O)NCC[C@@H](O)c2ccco2)c(C)o1 c1coc(c1)[*:1] Cc1cc(C(=O)NCC[C@@H](O)[*:1])c(C)o1
Cc1ccc(CN2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])CN1C[C@H](C)OC[C@@H]1C
CCCN(CC1CC1)C(=O)c1cccc(OC)c1F CCC[*:1] COc1cccc(C(=O)N(CC2CC2)[*:1])c1F
CCCN(CC1CC1)C(=O)c1cccc(OC)c1F C1CC1C[*:1] CCCN(C(=O)c1cccc(OC)c1F)[*:1]
CCCN(CC1CC1)C(=O)c1cccc(OC)c1F C1CC1[*:1] CCCN(C[*:1])C(=O)c1cccc(OC)c1F
COc1cc(F)cc(CNC(=O)Nc2cccc(C(N)=O)n2)c1 NC(=O)[*:1] COc1cc(F)cc(c1)CNC(=O)Nc1cccc(n1)[*:1]
O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)[C@H]1CC=CCC1 FC(F)(F)[*:1] O=C(Nc1nc2cc(ccc2n1Cc1ccco1)[*:1])[C@H]1CC=CCC1
O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)[C@H]1CC=CCC1 c1coc(c1)C[*:1] O=C(Nc1nc2cc(ccc2n1[*:1])C(F)(F)F)[C@H]1CC=CCC1
O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)[C@H]1CC=CCC1 c1coc(c1)[*:1] O=C(Nc1nc2cc(ccc2n1C[*:1])C(F)(F)F)[C@H]1CC=CCC1
COc1cccc(F)c1[C@H](C)Nc1ccc2nnc(-c3ccccc3)n2n1 c1ccc(cc1)[*:1] COc1cccc(F)c1[C@H](C)Nc1ccc2nnc(n2n1)[*:1]
COc1cccc(F)c1[C@H](C)Nc1ccc2nnc(-c3ccccc3)n2n1 COc1cccc(F)c1[*:1] C[C@H](Nc1ccc2nnc(-c3ccccc3)n2n1)[*:1]
COc1ccc(CNC(=O)NCc2cccc(Cn3cncn3)c2)cc1F c1ncn(C[*:1])n1 COc1ccc(cc1F)CNC(=O)NCc1cccc(c1)[*:1]
COc1ccc(CNC(=O)NCc2cccc(Cn3cncn3)c2)cc1F COc1ccc(cc1F)[*:1] O=C(NCc1cccc(c1)Cn1cncn1)NC[*:1]
COc1ccc(CNC(=O)NCc2cccc(Cn3cncn3)c2)cc1F c1ncn(n1)[*:1] COc1ccc(cc1F)CNC(=O)NCc1cccc(c1)C[*:1]
[NH3+]C[C@H](c1ccccc1)N1CCC(c2ccccc2)=N1 c1ccc(cc1)[*:1] [NH3+]C[C@H](c1ccccc1)N1CCC(=N1)[*:1]
[NH3+]C[C@H](c1ccccc1)N1CCC(c2ccccc2)=N1 c1ccc(cc1)[*:1] [NH3+]C[C@H](N1CCC(=N1)c1ccccc1)[*:1]
Cc1ccccc1OCCNC(=O)C1C[C@H](C)O[C@@H](C)C1 Cc1ccccc1[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)NCCO[*:1]
C[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 Clc1ccc(c(Cl)c1)[*:1] C[C@H](c1ccccc1)c1nnc(NC(=O)N[*:1])s1
C[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 C[C@H](c1ccccc1)[*:1] O=C(Nc1nnc(s1)[*:1])Nc1ccc(Cl)cc1Cl
C[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 c1ccc(cc1)[*:1] C[C@H](c1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1)[*:1]
COc1cccc(-c2nc(N3CCC(Cc4ccccc4)CC3)nc3nn(C)c(N)c23)c1 COc1cccc(c1)[*:1] Cn1nc2nc(nc(c2c1N)[*:1])N1CCC(CC1)Cc1ccccc1
COc1cccc(-c2nc(N3CCC(Cc4ccccc4)CC3)nc3nn(C)c(N)c23)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)-c1nc(nc2nn(C)c(N)c12)N1CCC(CC1)[*:1]
COc1cccc(-c2nc(N3CCC(Cc4ccccc4)CC3)nc3nn(C)c(N)c23)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1nc(nc2nn(C)c(N)c12)N1CCC(CC1)C[*:1]
O=C(CN1C(=O)CC2(CCCCC2)C1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 c1cc2CCCc2cc1[*:1] O=C(CN1C(=O)CC2(CCCCC2)C1=O)N1CCN(CC1)S(=O)(=O)[*:1]
O=C([O-])CCS(=O)(=O)Nc1ccc(-c2ccccc2)cc1 O=C([O-])[*:1] O=S(=O)(CC[*:1])Nc1ccc(cc1)-c1ccccc1
O=C([O-])CCS(=O)(=O)Nc1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] O=C([O-])CCS(=O)(=O)Nc1ccc(cc1)[*:1]
O=C([O-])CCS(=O)(=O)Nc1ccc(-c2ccccc2)cc1 O=C([O-])C[*:1] O=S(=O)(C[*:1])Nc1ccc(cc1)-c1ccccc1
C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 O=[N+]([O-])[*:1] C[C@@H](NC(=O)c1cc(F)ccc1[*:1])c1ccc(cc1)-c1cccnc1
C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(cc1)[*:1]
CN(CC#N)C(=O)c1cc(Cl)c2ccccc2c1O N#CC[*:1] CN(C(=O)c1cc(Cl)c2ccccc2c1O)[*:1]
COc1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)ccn1 COc1cc(ccn1)[*:1] O=C(NC[*:1])c1ccc(Cl)c(c1)S(=O)(=O)NC1CC1
COc1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)ccn1 O=S(=O)(NC1CC1)[*:1] COc1cc(ccn1)CNC(=O)c1ccc(Cl)c(c1)[*:1]
COc1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)ccn1 C1CC1[*:1] COc1cc(ccn1)CNC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)CCCn1ccnn1 c1cn(C[*:1])nn1 CS[C@H]1CCC[C@@H]1NC(=O)CC[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)CCCn1ccnn1 c1cn(nn1)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)CCC[*:1]
O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(C1CCC(=O)N(N=1)[C@H]1CCS(=O)(=O)C1)N1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)c1nc(no1)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1=O c1ccc(cc1)C[*:1] C[C@]1(C[*:1])NC(=O)N(CC(=O)N2CCN(CC2)C(=O)c2cccs2)C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1=O c1ccc(cc1)[*:1] C[C@]1(CC[*:1])NC(=O)N(CC(=O)N2CCN(CC2)C(=O)c2cccs2)C1=O
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1=O c1ccc(cc1)CC[*:1] C[C@@]1(NC(=O)N(CC(=O)N2CCN(CC2)C(=O)c2cccs2)C1=O)[*:1]
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1=O c1csc(c1)[*:1] C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(CC2)C(=O)[*:1])C1=O
COc1cc(C)sc1C(=O)NCCS(N)(=O)=O NS(=O)(=O)C[*:1] COc1cc(C)sc1C(=O)NC[*:1]
COc1cc(C)sc1C(=O)NCCS(N)(=O)=O NS(=O)(=O)[*:1] COc1cc(C)sc1C(=O)NCC[*:1]
CC[C@H](C)CN(CC)C(=O)c1ccc(C(=O)[O-])s1 O=C([O-])[*:1] CC[C@H](C)CN(CC)C(=O)c1ccc(s1)[*:1]
CC[C@H](C)CN(CC)C(=O)c1ccc(C(=O)[O-])s1 CC[C@H](C)C[*:1] CCN(C(=O)c1ccc(s1)C(=O)[O-])[*:1]
CC[C@H](C)CN(CC)C(=O)c1ccc(C(=O)[O-])s1 CC[C@H](C)[*:1] CCN(C[*:1])C(=O)c1ccc(s1)C(=O)[O-]
CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 CC(C)(C)[*:1] O=C(NNS(=O)(=O)c1ccc(cc1)[*:1])c1ccc2OCOc2c1
Cc1cccc(NC(=O)COC(=O)C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)NC(=O)COC(=O)[*:1]
O=C(NCc1noc(C2CCCC2)n1)c1ccc(-c2cc[nH]n2)cc1 C1CCC(C1)[*:1] O=C(NCc1noc(n1)[*:1])c1ccc(cc1)-c1cc[nH]n1
O=C(NCc1noc(C2CCCC2)n1)c1ccc(-c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] O=C(NCc1noc(n1)C1CCCC1)c1ccc(cc1)[*:1]
O=C([O-])[C@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)N1CCSCC1 O=C([O-])[*:1] O=C(N1CCSCC1)N1[C@@H]2CCCC[C@H]2CC[C@@H]1[*:1]
CN(C)c1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 CN(C)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@H]1c1ccc(Cl)cc1
CN(C)c1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CN(C)c1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(OCC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c(C)c1 CS(=O)(=O)[*:1] Cc1ccc(OCC(=O)Nc2ccc(C)c(c2)[*:1])c(C)c1
Cc1ccc(OCC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc(cc1S(C)(=O)=O)NC(=O)CO[*:1]
CCc1c(C)sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1C(N)=O Clc1cccc(c1)O[*:1] CCc1c(C)sc(NC(=O)[C@H](C)[*:1])c1C(N)=O
CCc1c(C)sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1C(N)=O NC(=O)[*:1] CCc1c(C)sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1[*:1]
CCc1c(C)sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1C(N)=O Clc1cccc(c1)[*:1] CCc1c(C)sc(NC(=O)[C@H](C)O[*:1])c1C(N)=O
COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4cc(C)ccc4C)C3)s2)cc1 Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1)NC(=O)c1nnc(s1)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4cc(C)ccc4C)C3)s2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)N1CCC[C@H](C1)c1nnc(s1)C(=O)N[*:1]
COc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4cc(C)ccc4C)C3)s2)cc1 COc1ccc(cc1)NC(=O)[*:1] Cc1ccc(C)c(c1)NC(=O)N1CCC[C@H](C1)c1nnc(s1)[*:1]
Cc1nc([C@H](NCc2ccc(C)s2)c2ccc(Cl)cc2)no1 Cc1nc(no1)[*:1] Cc1ccc(CN[C@H](c2ccc(Cl)cc2)[*:1])s1
Cc1nc([C@H](NCc2ccc(C)s2)c2ccc(Cl)cc2)no1 Cc1ccc(s1)[*:1] Cc1nc(no1)[C@H](NC[*:1])c1ccc(Cl)cc1
Cc1nc([C@H](NCc2ccc(C)s2)c2ccc(Cl)cc2)no1 Cc1ccc(C[*:1])s1 Cc1nc(no1)[C@H](N[*:1])c1ccc(Cl)cc1
Cc1nc([C@H](NCc2ccc(C)s2)c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] Cc1nc(no1)[C@H](NCc1ccc(C)s1)[*:1]
CCC[NH2+][C@H]1c2cc(C(C)C)ccc2[S@](=O)[C@H](C)[C@@H]1C CCC[*:1] CC(C)c1ccc2c(c1)[C@H]([NH2+][*:1])[C@@H](C)[C@@H](C)[S@]2=O
CCC[NH2+][C@H]1c2cc(C(C)C)ccc2[S@](=O)[C@H](C)[C@@H]1C CC(C)[*:1] CCC[NH2+][C@H]1c2cc(ccc2[S@](=O)[C@H](C)[C@@H]1C)[*:1]
CCc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)C(=O)NCC1(CC1)[*:1]
C[C@@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)[C@@H](O)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)[C@@H](O)[*:1]
C[C@@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)[C@@H](O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)[C@@H](O)C[*:1]
CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@H](O)c3ccccc3)c2)CC1 CC(C)[*:1] O=C(C[C@H](O)c1ccccc1)Nc1cccc(c1)N1CC[NH+](CC1)[*:1]
CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@H](O)c3ccccc3)c2)CC1 O[C@@H](C[*:1])c1ccccc1 CC(C)[NH+]1CCN(CC1)c1cccc(c1)NC(=O)[*:1]
CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@H](O)c3ccccc3)c2)CC1 c1ccc(cc1)[*:1] CC(C)[NH+]1CCN(CC1)c1cccc(c1)NC(=O)C[C@H](O)[*:1]
CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@H](O)c3ccccc3)c2)CC1 O[C@H](c1ccccc1)[*:1] CC(C)[NH+]1CCN(CC1)c1cccc(c1)NC(=O)C[*:1]
CC[NH2+]Cc1cnn(-c2ccccc2F)c1C(F)(F)F FC(F)(F)[*:1] CC[NH2+]Cc1cnn(-c2ccccc2F)c1[*:1]
CC[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1c(C)nn(C)c1C O=[N+]([O-])[*:1] CC[C@H](Nc1ncc(cc1Cl)[*:1])c1c(C)nn(C)c1C
C[C@H](Oc1ccccc1C(F)(F)F)/C([O-])=N/S(=O)(=O)C1CCCC1 FC(F)(F)[*:1] C[C@H](Oc1ccccc1[*:1])/C([O-])=N/S(=O)(=O)C1CCCC1
C[C@H](Oc1ccccc1C(F)(F)F)/C([O-])=N/S(=O)(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H](Oc1ccccc1C(F)(F)F)/C([O-])=N/S(=O)(=O)[*:1]
COc1ccc([C@H](Nc2snc(Cl)c2C#N)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] N#Cc1c(Cl)nsc1N[C@H](c1ccc(F)cc1)[*:1]
COc1ccc([C@H](Nc2snc(Cl)c2C#N)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](Nc1snc(Cl)c1C#N)[*:1]
Cc1nc(C[NH+](CCCO)CC(C)(C)C)cs1 CC(C)(C)C[*:1] Cc1nc(cs1)C[NH+](CCCO)[*:1]
Cc1nc(C[NH+](CCCO)CC(C)(C)C)cs1 CC(C)(C)[*:1] Cc1nc(cs1)C[NH+](CCCO)C[*:1]
Cc1nc(C[NH+](CCCO)CC(C)(C)C)cs1 OCC[*:1] Cc1nc(cs1)C[NH+](CC(C)(C)C)C[*:1]
Cc1nc(C[NH+](CCCO)CC(C)(C)C)cs1 OCCC[*:1] Cc1nc(cs1)C[NH+](CC(C)(C)C)[*:1]
COc1ccc(Cl)cc1NCC(=O)NCCc1cccs1 c1csc(c1)[*:1] COc1ccc(Cl)cc1NCC(=O)NCC[*:1]
COc1ccc(Cl)cc1NCC(=O)NCCc1cccs1 c1csc(c1)C[*:1] COc1ccc(Cl)cc1NCC(=O)NC[*:1]
COc1ccc(Cl)cc1NCC(=O)NCCc1cccs1 c1csc(c1)CC[*:1] COc1ccc(Cl)cc1NCC(=O)N[*:1]
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CCN1CCCC1=O NS(=O)(=O)[*:1] C[C@H]1Cc2cc(ccc2N1CCN1CCCC1=O)[*:1]
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CCN1CCCC1=O O=C1CCCN1[*:1] C[C@H]1Cc2cc(ccc2N1CC[*:1])S(N)(=O)=O
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CCN1CCCC1=O O=C1CCCN1C[*:1] C[C@H]1Cc2cc(ccc2N1C[*:1])S(N)(=O)=O
Cc1nnsc1C(=O)NCCc1nc2ccccc2[nH]1 Cc1nnsc1[*:1] O=C(NCCc1nc2ccccc2[nH]1)[*:1]
CCc1ccc(-c2csc(NC(=O)CCn3ccccc3=O)n2)cc1 O=c1ccccn1[*:1] CCc1ccc(cc1)-c1csc(n1)NC(=O)CC[*:1]
CCc1ccc(-c2csc(NC(=O)CCn3ccccc3=O)n2)cc1 O=c1ccccn1C[*:1] CCc1ccc(cc1)-c1csc(n1)NC(=O)C[*:1]
CCc1ccc(-c2csc(NC(=O)CCn3ccccc3=O)n2)cc1 CCc1ccc(cc1)[*:1] O=C(CCn1ccccc1=O)Nc1nc(cs1)[*:1]
COc1cc2c(cc1OC)[C@@]1(Cc3ccc(Cl)cc3)[C@@H]3CC=CC[C@@H]3C(=O)N1CC2 Clc1ccc(cc1)C[*:1] COc1cc2CCN3C(=O)[C@H]4CC=CC[C@H]4[C@@]3(c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@@]1(Cc3ccc(Cl)cc3)[C@@H]3CC=CC[C@@H]3C(=O)N1CC2 Clc1ccc(cc1)[*:1] COc1cc2CCN3C(=O)[C@H]4CC=CC[C@H]4[C@]3(C[*:1])c2cc1OC
CCCN[C@@H](c1ncccn1)c1ccc(Cl)cc1F CCC[*:1] Fc1cc(Cl)ccc1[C@@H](N[*:1])c1ncccn1
CCCN[C@@H](c1ncccn1)c1ccc(Cl)cc1F CCCN[*:1] Fc1cc(Cl)ccc1[C@H](c1ncccn1)[*:1]
CCCN[C@@H](c1ncccn1)c1ccc(Cl)cc1F c1cnc(nc1)[*:1] CCCN[C@@H](c1ccc(Cl)cc1F)[*:1]
O=[N+]([O-])c1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1 O=[N+]([O-])[*:1] Clc1ccc(cc1)Cc1nc(no1)-c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1 Clc1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)-c1noc(C[*:1])n1
COc1cc(OC)cc(-n2nnc(C(=O)[O-])c2C(C)(C)C)c1 O=C([O-])[*:1] COc1cc(cc(c1)-n1nnc(c1C(C)(C)C)[*:1])OC
COc1cc(OC)cc(-n2nnc(C(=O)[O-])c2C(C)(C)C)c1 CC(C)(C)[*:1] COc1cc(cc(c1)-n1nnc(C(=O)[O-])c1[*:1])OC
Cc1ocnc1C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Cc1ocnc1[*:1] CN1C(=O)C[C@H](NC(=O)[*:1])[C@H]1c1ccc(Cl)cc1
Cc1ocnc1C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ocnc1C(=O)N[C@H]1CC(=O)N(C)[C@H]1[*:1]
O=C(Cc1ccc(NC(=O)C2(c3cccs3)CCCCC2)cc1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(Nc1ccc(cc1)C[*:1])C1(CCCCC1)c1cccs1
O=C(Cc1ccc(NC(=O)C2(c3cccs3)CCCCC2)cc1)N1CCOCC1 c1csc(c1)[*:1] O=C(Cc1ccc(cc1)NC(=O)C1(CCCCC1)[*:1])N1CCOCC1
O=C(Cc1ccc(NC(=O)C2(c3cccs3)CCCCC2)cc1)N1CCOCC1 O=C(C[*:1])N1CCOCC1 O=C(Nc1ccc(cc1)[*:1])C1(CCCCC1)c1cccs1
C[C@H]1[C@H](C)CCCN1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] C[C@H]1[C@H](C)CCCN1C(=O)N[C@@H]1CCN(C1=O)[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1ccccc1OC CCC[*:1] COc1ccccc1C(=O)N[C@H]1C[C@H]1[*:1]
CC/[NH+]=C(/NCc1ccc2c(c1)OCCO2)NCc1cc(C#N)ccc1F N#Cc1ccc(F)c(c1)[*:1] CC/[NH+]=C(/NCc1ccc2OCCOc2c1)NC[*:1]
O=C(CCC1CCCC1)NNC(=O)c1nn(-c2ccccc2)cc1[O-] c1ccc(cc1)[*:1] O=C(CCC1CCCC1)NNC(=O)c1nn(cc1[O-])[*:1]
O=C(CCC1CCCC1)NNC(=O)c1nn(-c2ccccc2)cc1[O-] C1CCC(C1)C[*:1] O=C(C[*:1])NNC(=O)c1nn(cc1[O-])-c1ccccc1
O=C(CCC1CCCC1)NNC(=O)c1nn(-c2ccccc2)cc1[O-] C1CCC(C1)CC[*:1] O=C(NNC(=O)[*:1])c1nn(cc1[O-])-c1ccccc1
O=C(CCC1CCCC1)NNC(=O)c1nn(-c2ccccc2)cc1[O-] C1CCC(C1)[*:1] O=C(CC[*:1])NNC(=O)c1nn(cc1[O-])-c1ccccc1
Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1C Clc1ccc(cc1)[*:1] Cc1ccc(cc1C)[C@@H]1C[C@@H](n2nnnc2N1)[*:1]
Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1C Cc1ccc(cc1C)[*:1] Clc1ccc(cc1)[C@@H]1C[C@H](Nc2nnnn21)[*:1]
O=C(Nc1cccc(Cl)c1)N1CCCC[C@@H]1c1cccnc1 c1cncc(c1)[*:1] O=C(Nc1cccc(Cl)c1)N1CCCC[C@H]1[*:1]
O=C(Nc1cccc(Cl)c1)N1CCCC[C@@H]1c1cccnc1 Clc1cccc(c1)[*:1] O=C(N[*:1])N1CCCC[C@@H]1c1cccnc1
COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(C(C)C)cc3)c2c1 CC(C)[*:1] COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(cc3)[*:1])c2c1
CC(C)Oc1ccccc1CS(=O)(=O)CC(=O)Nc1ccc(F)c(F)c1 CC(C)O[*:1] O=C(CS(=O)(=O)Cc1ccccc1[*:1])Nc1ccc(F)c(F)c1
CC(C)Oc1ccccc1CS(=O)(=O)CC(=O)Nc1ccc(F)c(F)c1 CC(C)[*:1] O=C(CS(=O)(=O)Cc1ccccc1O[*:1])Nc1ccc(F)c(F)c1
CC(C)Oc1ccccc1CS(=O)(=O)CC(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CC(C)Oc1ccccc1CS(=O)(=O)CC(=O)N[*:1]
C[C@@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)N1CCN(CC1)Cc1csc(n1)C(C)(C)C)[*:1]
C[C@@H](NC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1)[C@@H]1CCCO1 CC(C)(C)[*:1] C[C@@H](NC(=O)N1CCN(CC1)Cc1csc(n1)[*:1])[C@@H]1CCCO1
Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C#N O=[N+]([O-])[*:1] Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc(cc1C#N)[*:1]
COCCCN(C(=O)c1cc2ccccc2n1C)[C@H]1CCS(=O)(=O)C1 COCCC[*:1] Cn1c(cc2ccccc21)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
COCCCN(C(=O)c1cc2ccccc2n1C)[C@H]1CCS(=O)(=O)C1 COC[*:1] Cn1c(cc2ccccc21)C(=O)N(CC[*:1])[C@H]1CCS(=O)(=O)C1
COCCCN(C(=O)c1cc2ccccc2n1C)[C@H]1CCS(=O)(=O)C1 COCC[*:1] Cn1c(cc2ccccc21)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
CC(C)C[C@@]1(Cc2cccc(Br)c2)CCC[NH2+]1 CC(C)[*:1] Brc1cccc(c1)C[C@@]1(CCC[NH2+]1)C[*:1]
CC(C)C[C@@]1(Cc2cccc(Br)c2)CCC[NH2+]1 CC(C)C[*:1] Brc1cccc(c1)C[C@]1(CCC[NH2+]1)[*:1]
Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccc3)c3ccccc32)cc1 Cc1ccc(cc1)C[*:1] O=C(C[C@@]1(O)C(=O)N(c2ccccc21)[*:1])c1ccccc1
Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccc3)c3ccccc32)cc1 O=C(c1ccccc1)[*:1] Cc1ccc(cc1)CN1C(=O)[C@](O)(C[*:1])c2ccccc21
Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccc3)c3ccccc32)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@@]1(O)C(=O)N(C[*:1])c2ccccc21)c1ccccc1
Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccc3)c3ccccc32)cc1 O=C(C[*:1])c1ccccc1 Cc1ccc(cc1)CN1C(=O)[C@](O)(c2ccccc21)[*:1]
Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccc3)c3ccccc32)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)[C@](O)(CC(=O)[*:1])c2ccccc21
COc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(F)cc2F)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NS(=O)(=O)[*:1])C(=O)Nc1ccc(F)cc1F
COc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(F)cc2F)C(C)C)cc1 Fc1ccc(c(F)c1)[*:1] COc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)N[*:1])C(C)C
COc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(F)cc2F)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)Nc1ccc(F)cc1F)[*:1]
Cc1cc2nc([C@@](C)(N)C(F)(F)F)[nH]c2cc1C FC(F)(F)[*:1] Cc1cc2nc([nH]c2cc1C)[C@@](C)(N)[*:1]
C#CCOC(=O)Cc1c(C)nn(-c2ccccc2)c1C c1ccc(cc1)[*:1] C#CCOC(=O)Cc1c(C)nn(c1C)[*:1]
C#CCOC(=O)Cc1c(C)nn(-c2ccccc2)c1C C#CC[*:1] Cc1nn(-c2ccccc2)c(C)c1CC(=O)O[*:1]
C#CCOC(=O)Cc1c(C)nn(-c2ccccc2)c1C C#CCOC(=O)[*:1] Cc1nn(-c2ccccc2)c(C)c1C[*:1]
Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 Clc1ccc(cc1)[*:1] Cc1nc2NC3C[C@H](CC(=O)C=3[C@H](c3ccccc3)n2n1)[*:1]
Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 c1ccc(cc1)[*:1] Cc1nc2NC3C[C@@H](CC(=O)C=3[C@H](n2n1)[*:1])c1ccc(Cl)cc1
CC(C)(C)[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)C(N)=O c1ccc(cc1)[*:1] CC(C)(C)[C@H](NC(=O)c1ccc(cc1)NC(=O)N[*:1])C(N)=O
CC(C)(C)[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)C(N)=O CC(C)(C)[*:1] NC(=O)[C@@H](NC(=O)c1ccc(cc1)NC(=O)Nc1ccccc1)[*:1]
CC(C)(C)[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)C(N)=O NC(=O)[*:1] CC(C)(C)[C@H](NC(=O)c1ccc(cc1)NC(=O)Nc1ccccc1)[*:1]
COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1OC1CCCC1 C1CCC(C1)O[*:1] COc1ccc(cc1[*:1])[C@@H]1CC(=O)NC2=C1C(=O)OC2(C)C
COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1OC1CCCC1 C1CCC(C1)[*:1] COc1ccc(cc1O[*:1])[C@@H]1CC(=O)NC2=C1C(=O)OC2(C)C
COc1ccc(N2C(=S)N[C@@H]3C[C@@]2(C)Oc2ccc4ccccc4c23)cc1 COc1ccc(cc1)[*:1] C[C@@]12C[C@@H](NC(=S)N1[*:1])c1c(ccc3ccccc13)O2
CCn1cc(C[NH2+]C[C@H](c2cccs2)N2CCO[C@H](C)C2)cn1 c1csc(c1)[*:1] CCn1cc(cn1)C[NH2+]C[C@H](N1CCO[C@H](C)C1)[*:1]
CCn1cc(C[NH2+]C[C@H](c2cccs2)N2CCO[C@H](C)C2)cn1 CCn1cc(cn1)[*:1] C[C@@H]1CN(CCO1)[C@H](C[NH2+]C[*:1])c1cccs1
CCn1cc(C[NH2+]C[C@H](c2cccs2)N2CCO[C@H](C)C2)cn1 C[C@@H]1CN(CCO1)[*:1] CCn1cc(cn1)C[NH2+]C[C@H](c1cccs1)[*:1]
CON/C=C/C([O-])=N/c1nc(SC)n(C)n1 CON[*:1] CSc1nc(/N=C(\[O-])C=C[*:1])nn1C
CON/C=C/C([O-])=N/c1nc(SC)n(C)n1 CONC=C[*:1] CSc1nc(/N=C(\[O-])[*:1])nn1C
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)/C=C/c1ccncc1 c1cc(ccn1)[*:1] Cc1cc(ccc1NC(=O)C=C[*:1])C(=O)N1CCC[C@@H](C)C1
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)/C=C/c1ccncc1 C[C@@H]1CCCN(C1)C(=O)[*:1] Cc1cc(ccc1NC(=O)/C=C/c1ccncc1)[*:1]
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)/C=C/c1ccncc1 C(=C[*:1])c1ccncc1 Cc1cc(ccc1NC(=O)[*:1])C(=O)N1CCC[C@@H](C)C1
COCCCNc1nc(-c2ccccc2)cs1 COCC[*:1] c1ccc(cc1)-c1csc(n1)NC[*:1]
COCCCNc1nc(-c2ccccc2)cs1 COC[*:1] c1ccc(cc1)-c1csc(n1)NCC[*:1]
COCCCNc1nc(-c2ccccc2)cs1 COCCC[*:1] c1ccc(cc1)-c1csc(n1)N[*:1]
C[C@H]1C[C@@H]([NH3+])CN(C[C@@H](C)C(N)=O)C1 NC(=O)[*:1] C[C@H]1C[C@@H]([NH3+])CN(C1)C[C@@H](C)[*:1]
Cc1ccc(/C=C/C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1Cl C1CC1[*:1] Cc1ccc(/C=C/C(=O)N2CCN(CC2)C(=O)C(=O)N[*:1])cc1Cl
Cc1ccc(/C=C/C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(NC1CC1)C(=O)N1CCN(CC1)C(=O)C=C[*:1]
COc1cc(C[NH+]2CCC(c3nn(C)c(=O)n3C3CCCC3)CC2)cc(OC)c1 C1CCC(C1)[*:1] COc1cc(cc(c1)OC)C[NH+]1CCC(CC1)c1nn(C)c(=O)n1[*:1]
CCc1nc(CSCc2nnc(-c3ccccc3)n2C)cs1 c1ccc(cc1)[*:1] CCc1nc(cs1)CSCc1nnc(n1C)[*:1]
CCc1nc(CSCc2nnc(-c3ccccc3)n2C)cs1 CCc1nc(cs1)[*:1] Cn1c(CSC[*:1])nnc1-c1ccccc1
COc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)/C(C)=N/NC(=O)c1ccc(Cl)c(c1)[*:1]
CC(C)c1ccc(C(=O)Nc2[nH]ncc2/C(N)=N/O)cc1 CC(C)[*:1] N/C(=N\O)c1cn[nH]c1NC(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc(C(=O)Nc2[nH]ncc2/C(N)=N/O)cc1 N/C(=N\O)[*:1] CC(C)c1ccc(cc1)C(=O)Nc1[nH]ncc1[*:1]
CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 CCCNC(=O)[*:1] O=C1CCCC2Nc3ccccc3N(C[*:1])[C@H](C=21)c1cccs1
CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 CCC[*:1] O=C(CN1c2ccccc2NC2CCCC(=O)C=2[C@@H]1c1cccs1)N[*:1]
CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 CCCNC(=O)C[*:1] O=C1CCCC2Nc3ccccc3N([C@H](C=21)c1cccs1)[*:1]
CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 c1csc(c1)[*:1] CCCNC(=O)CN1c2ccccc2NC2CCCC(=O)C=2[C@H]1[*:1]
COc1ccc(CN2CC(=O)N(C)CC2=O)cc1C(N)=S NC(=S)[*:1] COc1ccc(cc1[*:1])CN1CC(=O)N(C)CC1=O
Fc1ccc(Cc2noc(-c3cccc4[nH]ccc34)n2)cc1 Fc1ccc(cc1)[*:1] c1cc(-c2nc(C[*:1])no2)c2cc[nH]c2c1
C[C@H](SC(=S)N(C)C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F CN(C)C(=S)S[*:1] C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[*:1]
Cc1cc(NC(=O)Nc2ccc(F)cc2F)no1 Cc1cc(no1)[*:1] O=C(Nc1ccc(F)cc1F)N[*:1]
CN(CCC(F)(F)F)C(=O)[C@H]1C=C[C@H]([NH3+])C1 FC(F)(F)[*:1] CN(CC[*:1])C(=O)[C@H]1C=C[C@H]([NH3+])C1
CN(CCC(F)(F)F)C(=O)[C@H]1C=C[C@H]([NH3+])C1 FC(F)(F)C[*:1] CN(C[*:1])C(=O)[C@H]1C=C[C@H]([NH3+])C1
C[C@@H](N[C@@H](c1ccccc1)c1ccco1)c1c(F)cccc1F c1ccc(cc1)[*:1] C[C@@H](N[C@@H](c1ccco1)[*:1])c1c(F)cccc1F
C[C@@H](N[C@@H](c1ccccc1)c1ccco1)c1c(F)cccc1F c1coc(c1)[*:1] C[C@@H](N[C@@H](c1ccccc1)[*:1])c1c(F)cccc1F
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)CCC(=O)N2 CC(C)C[*:1] COC(=O)[C@H](NC(=O)c1ccc2NC(=O)CCc2c1)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)CCC(=O)N2 COC(=O)[*:1] CC(C)C[C@H](NC(=O)c1ccc2NC(=O)CCc2c1)[*:1]
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)CCC(=O)N2 CC(C)[*:1] COC(=O)[C@H](C[*:1])NC(=O)c1ccc2NC(=O)CCc2c1
C#CCOc1ccccc1C[NH+]1CCN([C@H](C)c2cccnc2)CC1 C#CCO[*:1] C[C@H](c1cccnc1)N1CC[NH+](CC1)Cc1ccccc1[*:1]
C#CCOc1ccccc1C[NH+]1CCN([C@H](C)c2cccnc2)CC1 C#CC[*:1] C[C@H](c1cccnc1)N1CC[NH+](CC1)Cc1ccccc1O[*:1]
C#CCOc1ccccc1C[NH+]1CCN([C@H](C)c2cccnc2)CC1 C[C@H](c1cccnc1)[*:1] C#CCOc1ccccc1C[NH+]1CCN(CC1)[*:1]
C#CCOc1ccccc1C[NH+]1CCN([C@H](C)c2cccnc2)CC1 c1cncc(c1)[*:1] C#CCOc1ccccc1C[NH+]1CCN(CC1)[C@H](C)[*:1]
CC(C)n1c(SCCS)n[nH]c1=O SCCS[*:1] CC(C)n1c(n[nH]c1=O)[*:1]
CC(C)n1c(SCCS)n[nH]c1=O CC(C)[*:1] O=c1[nH]nc(SCCS)n1[*:1]
CC(C)n1c(SCCS)n[nH]c1=O SCC[*:1] CC(C)n1c(n[nH]c1=O)S[*:1]
C=CCNC(=O)/C(C#N)=C\c1csc(N(CC)C(C)=O)n1 C=CC[*:1] CCN(C(C)=O)c1nc(/C=C(/C#N)C(=O)N[*:1])cs1
C=CCNC(=O)/C(C#N)=C\c1csc(N(CC)C(C)=O)n1 CCN(C(C)=O)[*:1] C=CCNC(=O)/C(C#N)=C\c1csc(n1)[*:1]
C=CCNC(=O)/C(C#N)=C\c1csc(N(CC)C(C)=O)n1 C=CCNC(=O)[*:1] CCN(C(C)=O)c1nc(C=C(C#N)[*:1])cs1
O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCCC[C@H]1C(F)(F)F FC(F)(F)[*:1] O=C(NCC1(CCCC1)[NH+]1CCSCC1)[C@@H]1CCCC[C@@H]1[*:1]
CC(C)Cn1cc[nH+]c(N2CC[C@H](C)[C@H]2C)c1=O CC(C)C[*:1] C[C@H]1CCN(c2[nH+]ccn(c2=O)[*:1])[C@@H]1C
CC(C)Cn1cc[nH+]c(N2CC[C@H](C)[C@H]2C)c1=O CC(C)[*:1] C[C@H]1CCN(c2[nH+]ccn(C[*:1])c2=O)[C@@H]1C
Cc1cccc(-n2nnnc2SCCOc2cccc(C#N)c2)c1 Cc1cccc(c1)[*:1] N#Cc1cccc(c1)OCCSc1nnnn1[*:1]
Cc1cccc(-n2nnnc2SCCOc2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] Cc1cccc(c1)-n1nnnc1SCCO[*:1]
COc1cc(/C=C2/S/C(=N\C(C)=O)NC2=O)cc(Br)c1OCC(=O)[O-] O=C([O-])C[*:1] COc1cc(/C=C2/S/C(=N\C(C)=O)NC2=O)cc(Br)c1O[*:1]
COc1cc(/C=C2/S/C(=N\C(C)=O)NC2=O)cc(Br)c1OCC(=O)[O-] O=C([O-])CO[*:1] COc1cc(/C=C2/S/C(=N\C(C)=O)NC2=O)cc(Br)c1[*:1]
COc1cc(/C=C2/S/C(=N\C(C)=O)NC2=O)cc(Br)c1OCC(=O)[O-] O=C([O-])[*:1] COc1cc(/C=C2/S/C(=N\C(C)=O)NC2=O)cc(Br)c1OC[*:1]
COc1ccc2c(c1)[nH]c1c([O-])n(/N=C/c3ccc(OC)c(CN4CCOCC4)c3)c(=O)nc12 C1CN(CCO1)C[*:1] COc1ccc2c(c1)[nH]c1c([O-])n(/N=C/c3ccc(OC)c(c3)[*:1])c(=O)nc12
COc1ccc2c(c1)[nH]c1c([O-])n(/N=C/c3ccc(OC)c(CN4CCOCC4)c3)c(=O)nc12 C1CN(CCO1)[*:1] COc1ccc2c(c1)[nH]c1c([O-])n(/N=C/c3ccc(OC)c(c3)C[*:1])c(=O)nc12
CCOc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(c3cccnn3)C1)CCO2 c1cnnc(c1)[*:1] CCOc1ccc2OCC[C@H]([NH2+][C@H]3CCCN(C3)[*:1])c2c1
CCOc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(c3cccnn3)C1)CCO2 CCO[*:1] c1cnnc(c1)N1CCC[C@@H](C1)[NH2+][C@H]1CCOc2ccc(cc21)[*:1]
Cc1ccc(-c2ccc(C(=O)Nc3cc(C(C)C)n[nH]3)c(F)c2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1cc(NC(=O)c2ccc(cc2F)[*:1])[nH]n1
Cc1ccc(-c2ccc(C(=O)Nc3cc(C(C)C)n[nH]3)c(F)c2)cc1 CC(C)[*:1] Cc1ccc(cc1)-c1ccc(C(=O)Nc2cc(n[nH]2)[*:1])c(F)c1
O=C(c1cccc2cc[nH]c12)N1CCC(OC[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)CO[*:1] O=C(c1cccc2cc[nH]c12)N1CCC(CC1)[*:1]
Cc1ccc([C@H](C)NC(=O)c2cn(C)nc2-c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)[C@H](C)NC(=O)c1cn(C)nc1[*:1]
Cc1ccc([C@H](C)NC(=O)c2cn(C)nc2-c2ccccc2)o1 Cc1ccc(o1)[*:1] C[C@H](NC(=O)c1cn(C)nc1-c1ccccc1)[*:1]
O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])c(O)c1 O=[N+]([O-])[*:1] O=C(NCCc1ccc(cc1)C(F)(F)F)c1ccc(c(O)c1)[*:1]
O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])c(O)c1 FC(F)(F)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1ccc(c(O)c1)[N+](=O)[O-]
O=C1C[C@@H]2C[C@H]1CN2C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H]2C[C@H]1CN2C(=O)OC[*:1]
Cc1cc(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)no1 Cc1cc(no1)[*:1] O=C(N(Cc1ccco1)c1ccc(F)cc1F)[*:1]
Cc1cc(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)no1 c1coc(c1)C[*:1] Cc1cc(no1)C(=O)N(c1ccc(F)cc1F)[*:1]
Cc1cc(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)no1 c1coc(c1)[*:1] Cc1cc(no1)C(=O)N(C[*:1])c1ccc(F)cc1F
Cc1c([C@@H](C)NC(=O)C[C@H]2C=CCC2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)NC(=O)C[C@H]1C=CCC1
CNC(=O)c1ccc(CNC(=O)C[C@H]2C[NH2+]CCO2)cc1 CNC(=O)[*:1] O=C(C[C@H]1C[NH2+]CCO1)NCc1ccc(cc1)[*:1]
C/C(=C\C(=O)NCc1nc(C)no1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)NCc1nc(C)no1)[*:1]
CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 CC(C)[*:1] O=C(Nc1ccc(cc1)O[*:1])C(=O)N1CCN(CC1)c1cc[nH+]cc1
CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 CC(C)O[*:1] O=C(Nc1ccc(cc1)[*:1])C(=O)N1CCN(CC1)c1cc[nH+]cc1
Cc1ncccc1NC(=O)C(=O)NCc1cccc(NC(=O)CC(C)C)c1 Cc1ncccc1[*:1] CC(C)CC(=O)Nc1cccc(c1)CNC(=O)C(=O)N[*:1]
Cc1ncccc1NC(=O)C(=O)NCc1cccc(NC(=O)CC(C)C)c1 CC(C)C[*:1] Cc1ncccc1NC(=O)C(=O)NCc1cccc(c1)NC(=O)[*:1]
Cc1ncccc1NC(=O)C(=O)NCc1cccc(NC(=O)CC(C)C)c1 CC(C)CC(=O)N[*:1] Cc1ncccc1NC(=O)C(=O)NCc1cccc(c1)[*:1]
Cc1ncccc1NC(=O)C(=O)NCc1cccc(NC(=O)CC(C)C)c1 CC(C)[*:1] Cc1ncccc1NC(=O)C(=O)NCc1cccc(c1)NC(=O)C[*:1]
COc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccc(C)cc1NC(=O)C(=O)N[*:1]
Cn1cc(NC(=O)Nc2nccs2)cc(Br)c1=O c1csc(n1)[*:1] Cn1cc(cc(Br)c1=O)NC(=O)N[*:1]
COC[C@@H](NC(=O)N[C@H](C)c1cc(C)oc1C)c1ccc(C)o1 COC[*:1] Cc1ccc(o1)[C@H](NC(=O)N[C@H](C)c1cc(C)oc1C)[*:1]
COC[C@@H](NC(=O)N[C@H](C)c1cc(C)oc1C)c1ccc(C)o1 Cc1cc(c(C)o1)[*:1] COC[C@@H](NC(=O)N[C@H](C)[*:1])c1ccc(C)o1
COC[C@@H](NC(=O)N[C@H](C)c1cc(C)oc1C)c1ccc(C)o1 Cc1ccc(o1)[*:1] COC[C@@H](NC(=O)N[C@H](C)c1cc(C)oc1C)[*:1]
CCc1ccc(S(=O)(=O)N[C@@H](C)CCCO)cc1N C[C@@H](CCCO)[*:1] CCc1ccc(cc1N)S(=O)(=O)N[*:1]
CCc1ccc(S(=O)(=O)N[C@@H](C)CCCO)cc1N OCC[*:1] CCc1ccc(cc1N)S(=O)(=O)N[C@@H](C)C[*:1]
CCc1ccc(S(=O)(=O)N[C@@H](C)CCCO)cc1N OCCC[*:1] CCc1ccc(cc1N)S(=O)(=O)N[C@@H](C)[*:1]
O=C(CCc1ccc(Cl)cc1Cl)NNC(=O)NCC(F)(F)F FC(F)(F)[*:1] O=C(CCc1ccc(Cl)cc1Cl)NNC(=O)NC[*:1]
O=C(CCc1ccc(Cl)cc1Cl)NNC(=O)NCC(F)(F)F FC(F)(F)C[*:1] O=C(CCc1ccc(Cl)cc1Cl)NNC(=O)N[*:1]
CC(C)Cn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2ccc(Cl)cc2c1=O C[C@@H]1CCCN(C1)C(=O)[*:1] CC(C)Cn1c(nc2ccc(Cl)cc2c1=O)SC[*:1]
CC(C)Cn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2ccc(Cl)cc2c1=O CC(C)C[*:1] C[C@@H]1CCCN(C1)C(=O)CSc1nc2ccc(Cl)cc2c(=O)n1[*:1]
CC(C)Cn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2ccc(Cl)cc2c1=O CC(C)[*:1] C[C@@H]1CCCN(C1)C(=O)CSc1nc2ccc(Cl)cc2c(=O)n1C[*:1]
COc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1F O=[N+]([O-])[*:1] COc1ccc(cc1F)CNC(=O)Nc1cc(ccc1C)[*:1]
COc1ccc(C[C@@H](C)[NH3+])cc1OCc1cccc(C)n1 Cc1cccc(n1)[*:1] COc1ccc(cc1OC[*:1])C[C@@H](C)[NH3+]
[NH3+][C@H](c1ccc(Br)s1)[C@H]1CCOC2(CCOCC2)C1 Brc1ccc(s1)[*:1] [NH3+][C@H]([C@H]1CCOC2(CCOCC2)C1)[*:1]
CSc1cccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)c1 Cc1cccc(c1)[*:1] CSc1cccc(c1)NC(=O)Cn1cc(ccc1=O)-c1nc(no1)[*:1]
CSc1cccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)c1 CSc1cccc(c1)[*:1] Cc1cccc(c1)-c1noc(n1)-c1ccc(=O)n(c1)CC(=O)N[*:1]
NC(=O)c1ccc(NCc2cccc(Br)c2)nn1 NC(=O)[*:1] Brc1cccc(c1)CNc1ccc(nn1)[*:1]
CC(C)c1cc(N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)nc(N)n1 CC(C)[*:1] C[NH+]1CCN(CC1)C[C@@H]1CCCN(C1)c1cc(nc(N)n1)[*:1]
C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)N1CCC[C@@H](C(N)=O)C1 NC(=O)[*:1] C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)N1CCC[C@@H](C1)[*:1]
C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)N1CCC[C@@H](C(N)=O)C1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(n1C)[*:1])C(=O)N1CCC[C@H](C1)C(N)=O
CSc1sc([N-]S(=O)(=O)c2ccc(Cl)s2)nc1C Clc1ccc(s1)[*:1] CSc1sc(nc1C)[N-]S(=O)(=O)[*:1]
CN(C)c1ccc(NC(=O)[C@H]2CCCN2c2nccs2)nc1 CN(C)[*:1] O=C(Nc1ccc(cn1)[*:1])[C@H]1CCCN1c1nccs1
CN(C)c1ccc(NC(=O)[C@H]2CCCN2c2nccs2)nc1 c1csc(n1)[*:1] CN(C)c1ccc(nc1)NC(=O)[C@H]1CCCN1[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 Fc1cccc(c1F)[*:1] CC(=O)N(C)c1cccc(c1)NC(=O)[C@@H]1C[C@@H]1[*:1]
CC(=O)N(C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1C[C@H]1c1cccc(F)c1F
Cc1ccccc1OCCOC(=O)c1ccccc1-n1cnnn1 Cc1ccccc1[*:1] O=C(OCCO[*:1])c1ccccc1-n1cnnn1
Cc1ccccc1OCCOC(=O)c1ccccc1-n1cnnn1 Cc1ccccc1O[*:1] O=C(OCC[*:1])c1ccccc1-n1cnnn1
Cc1ccccc1OCCOC(=O)c1ccccc1-n1cnnn1 c1nnnn1[*:1] Cc1ccccc1OCCOC(=O)c1ccccc1[*:1]
CCOc1ccc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)cc1OC c1ccc(cc1)[*:1] CCOc1ccc(/C=C/C(=O)c2cnn(c2C)[*:1])cc1OC
CCOc1ccc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)cc1OC CCO[*:1] COc1cc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)ccc1[*:1]
CC1=C(CCC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)[C@H](C)ON1 c1nc2ccc(cc2[nH]1)[*:1] CC1NO[C@@H](C)C=1CCC(=O)N[C@H](c1ccccc1)[*:1]
CC1=C(CCC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)[C@H](C)ON1 c1ccc(cc1)[*:1] CC1NO[C@@H](C)C=1CCC(=O)N[C@H](c1ccc2nc[nH]c2c1)[*:1]
C[C@@H]1CCCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)[C@H]1CO FC(F)[*:1] C[C@@H]1CCCN(C(=O)Nc2ccc3[nH]c(nc3c2)[*:1])[C@H]1CO
C[C@@H]1CN(Cc2ccc(C(=O)N(CC#N)CC#N)cc2)C[C@@H](C)O1 N#CC[*:1] C[C@@H]1CN(Cc2ccc(cc2)C(=O)N(CC#N)[*:1])C[C@@H](C)O1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2nccs2)cc1OC c1csc(n1)[*:1] COc1ccc(cc1OC)-c1nn(cc1/C=C/C(=O)N[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2nccs2)cc1OC O=C(Nc1nccs1)[*:1] COc1ccc(cc1OC)-c1nn(cc1C=C[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2nccs2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nn(cc1/C=C/C(=O)Nc1nccs1)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2nccs2)cc1OC COc1ccc(cc1OC)[*:1] O=C(/C=C/c1cn(nc1[*:1])-c1ccccc1)Nc1nccs1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2nccs2)cc1OC O=C(C=C[*:1])Nc1nccs1 COc1ccc(cc1OC)-c1nn(cc1[*:1])-c1ccccc1
C[C@H]1CN(C(=O)C2CN(C(=O)c3cnccn3)C2)C[C@@H](C)O1 c1cnc(cn1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)C1CN(C1)C(=O)[*:1]
COc1ccc(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1OC O=[N+]([O-])[*:1] COc1ccc(cc1OC)CCNC(=O)c1cc(F)ccc1[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)N[C@@H](CO)c1ccccc1 Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)C(=O)N[C@@H](CO)c1ccccc1)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)N[C@@H](CO)c1ccccc1 c1ccc(cc1)[*:1] Cc1cn(nc1NC(=O)C(=O)N[C@@H](CO)[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)N[C@@H](CO)c1ccccc1 OC[C@@H](c1ccccc1)[*:1] Cc1cn(nc1NC(=O)C(=O)N[*:1])-c1ccccc1Cl
Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(-n3ccnc3)cc1)CN2 c1cn(cn1)[*:1] Cc1cc2NC[C@H](C[NH2+]Cc3ccc(cc3)[*:1])Cn2n1
COc1cccc([C@H](CO)NC(=O)c2cccc(NC(=O)C3CC3)c2)c1 COc1cccc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1cccc(c1)NC(=O)C1CC1
COc1cccc([C@H](CO)NC(=O)c2cccc(NC(=O)C3CC3)c2)c1 O=C(N[*:1])C1CC1 COc1cccc(c1)[C@H](CO)NC(=O)c1cccc(c1)[*:1]
COc1cccc([C@H](CO)NC(=O)c2cccc(NC(=O)C3CC3)c2)c1 C1CC1[*:1] COc1cccc(c1)[C@H](CO)NC(=O)c1cccc(c1)NC(=O)[*:1]
COc1ccccc1N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cn2)C1 COc1ccccc1[*:1] C[C@H]([NH2+][C@H]1CCCN(C1)[*:1])c1ccc(F)cn1
COc1ccccc1N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cn2)C1 Fc1ccc(nc1)[*:1] COc1ccccc1N1CCC[C@@H](C1)[NH2+][C@@H](C)[*:1]
O=C(Nc1cccc(CNc2cc[nH+]c3cc(F)ccc23)c1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(Nc1cccc(c1)CNc1cc[nH+]c2cc(F)ccc12)[*:1]
O=C(Nc1cccc(CNc2cc[nH+]c3cc(F)ccc23)c1)[C@H]1CCCO1 O=C(N[*:1])[C@H]1CCCO1 Fc1ccc2c(cc[nH+]c2c1)NCc1cccc(c1)[*:1]
O=C(NCCC[NH+]1CCc2ccccc2C1)N1CC[NH+](C2CCCC2)CC1 C1CCC(C1)[*:1] O=C(NCCC[NH+]1CCc2ccccc2C1)N1CC[NH+](CC1)[*:1]
COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1cc(C)ccc1C COc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H](C)Sc1nnnn1[*:1]
COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)N[*:1]
COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] COc1ccc(cc1OS(=O)(=O)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(Cl)c1 O=[N+]([O-])[*:1] COc1ccc(cc1OS(=O)(=O)c1cccc(Cl)c1)[*:1]
C[C@H](NC(=O)c1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1)CCC2)c1ccccc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)c1ccc2CCC[C@@H](NC(=O)[*:1])c2c1)c1ccccc1
C[C@H](NC(=O)c1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1)CCC2)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(Cc1ccccc1)N[C@@H]1CCCc2ccc(cc21)C(=O)N[*:1]
C[C@H](NC(=O)c1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1)CCC2)c1ccccc1 O=C(Cc1ccccc1)N[*:1] C[C@H](NC(=O)c1ccc2CCC[C@@H](c2c1)[*:1])c1ccccc1
C[C@H](NC(=O)c1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1)CCC2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc2CCC[C@@H](NC(=O)Cc3ccccc3)c2c1)[*:1]
C[C@H](NC(=O)c1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1)CCC2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc2CCC[C@@H](NC(=O)C[*:1])c2c1)c1ccccc1
COCC[C@@H](C)C(=O)Nc1cccc2ccccc12 COCC[C@@H](C)[*:1] O=C(Nc1cccc2ccccc12)[*:1]
COCC[C@@H](C)C(=O)Nc1cccc2ccccc12 COCC[*:1] C[C@@H](C(=O)Nc1cccc2ccccc12)[*:1]
COCC[C@@H](C)C(=O)Nc1cccc2ccccc12 COC[*:1] C[C@H](C[*:1])C(=O)Nc1cccc2ccccc12
C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C(=O)N1CCCc2ccccc21 O=S(=O)(Nc1ccccc1F)[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])C(=O)N1CCCc2ccccc21
C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C(=O)N1CCCc2ccccc21 Fc1ccccc1[*:1] C[C@H](OC(=O)c1ccc(cc1)S(=O)(=O)N[*:1])C(=O)N1CCCc2ccccc21
Cc1noc2nc(C3CCN(C(=O)c4ccncc4)CC3)cc(C(F)(F)F)c12 FC(F)(F)[*:1] Cc1noc2nc(cc(c12)[*:1])C1CCN(CC1)C(=O)c1ccncc1
Cc1noc2nc(C3CCN(C(=O)c4ccncc4)CC3)cc(C(F)(F)F)c12 c1cc(ccn1)[*:1] Cc1noc2nc(cc(c12)C(F)(F)F)C1CCN(CC1)C(=O)[*:1]
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 O=[N+]([O-])[*:1] C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(cc1)[*:1])c1ccccc1
COc1cccc(OCC(=O)NCc2nc(C)c(C)s2)c1 Cc1nc(sc1C)[*:1] COc1cccc(c1)OCC(=O)NC[*:1]
COc1ccc(-n2c(SCCC(C)C)nc3c(c2=O)SCC3)cc1OC CC(C)CC[*:1] COc1ccc(cc1OC)-n1c(nc2CCSc2c1=O)S[*:1]
COc1ccc(-n2c(SCCC(C)C)nc3c(c2=O)SCC3)cc1OC CC(C)[*:1] COc1ccc(cc1OC)-n1c(nc2CCSc2c1=O)SCC[*:1]
COc1ccc(-n2c(SCCC(C)C)nc3c(c2=O)SCC3)cc1OC CC(C)CCS[*:1] COc1ccc(cc1OC)-n1c(nc2CCSc2c1=O)[*:1]
COc1ccc(-n2c(SCCC(C)C)nc3c(c2=O)SCC3)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)-n1c(nc2CCSc2c1=O)SC[*:1]
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(C(F)(F)F)nc2)C1 FC(F)(F)[*:1] C[C@@H]1C[C@@H](C)CN(C1)C(=O)c1ccc(nc1)[*:1]
CCn1nc(C)c(NC(=O)N[C@H](C)[C@@H](O)c2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)N[C@H](C)[C@@H](O)[*:1])c1C
CCN(CC)C(=O)c1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccc(cc1)C(=O)N(CC1CC1)[*:1]
CCN(CC)C(=O)c1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 CCN(CC)C(=O)[*:1] O=C(c1ccc(cc1)[*:1])N(CC1CC1)c1ccccc1
CCN(CC)C(=O)c1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 C1CC1C[*:1] CCN(CC)C(=O)c1ccc(cc1)C(=O)N(c1ccccc1)[*:1]
CCN(CC)C(=O)c1ccc(C(=O)N(CC2CC2)c2ccccc2)cc1 C1CC1[*:1] CCN(CC)C(=O)c1ccc(cc1)C(=O)N(C[*:1])c1ccccc1
CC[NH+](CC)[C@H](CNC(=O)Nc1cccnc1)c1ccco1 c1cncc(c1)[*:1] CC[NH+](CC)[C@H](CNC(=O)N[*:1])c1ccco1
CC[NH+](CC)[C@H](CNC(=O)Nc1cccnc1)c1ccco1 c1coc(c1)[*:1] CC[NH+](CC)[C@H](CNC(=O)Nc1cccnc1)[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1 CC(C)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1 CC(C)C[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1 CC(C)CNC(=O)[*:1] CCN(CC)S(=O)(=O)c1ccc(cc1)[*:1]
CN(C)C(=O)c1nnc(C(=O)[O-])s1 O=C([O-])[*:1] CN(C)C(=O)c1nnc(s1)[*:1]
Cc1n[nH]c2c1[C@@H](c1ccccc1OC(C)C)CC(=O)N2 CC(C)[*:1] Cc1n[nH]c2NC(=O)C[C@H](c3ccccc3O[*:1])c12
Cc1n[nH]c2c1[C@@H](c1ccccc1OC(C)C)CC(=O)N2 CC(C)O[*:1] Cc1n[nH]c2NC(=O)C[C@H](c3ccccc3[*:1])c12
O=C([O-])c1cncc(Nc2ccc(Cl)cc2C(F)(F)F)n1 O=C([O-])[*:1] FC(F)(F)c1cc(Cl)ccc1Nc1cncc(n1)[*:1]
O=C([O-])c1cncc(Nc2ccc(Cl)cc2C(F)(F)F)n1 FC(F)(F)[*:1] O=C([O-])c1cncc(n1)Nc1ccc(Cl)cc1[*:1]
Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(Cl)c1 c1ccc(cc1)C[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)Nc1cnn(c1)[*:1]
Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] O=S(=O)(Nc1cnn(c1)Cc1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(Cl)c1 c1ccc(cc1)[*:1] Cc1ccc(c(Cl)c1)S(=O)(=O)Nc1cnn(c1)C[*:1]
COc1ccc(F)c(NC(=O)CNC(C)=O)c1 CC(=O)NC[*:1] COc1ccc(F)c(c1)NC(=O)[*:1]
COc1ccc(F)c(NC(=O)CNC(C)=O)c1 CC(=O)N[*:1] COc1ccc(F)c(c1)NC(=O)C[*:1]
O=C(OCCc1cccs1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 c1csc(c1)C[*:1] O=C(OC[*:1])[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
O=C(OCCc1cccs1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 c1csc(c1)[*:1] O=C(OCC[*:1])[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
Cc1noc(CS(=O)(=O)[C@H](C)c2ccccc2F)n1 Cc1noc(n1)[*:1] C[C@H](c1ccccc1F)S(=O)(=O)C[*:1]
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 Cc1ccc(cc1C)[*:1] CC(=O)N(c1nc(cs1)CN1C[C@@H](C)O[C@H](C)C1)[*:1]
C[C@H](O)CNC(=O)Cn1c(C2CCCCC2)nc2ccccc21 C1CCC(CC1)[*:1] C[C@H](O)CNC(=O)Cn1c(nc2ccccc21)[*:1]
C[C@H](O)CNC(=O)Cn1c(C2CCCCC2)nc2ccccc21 C[C@H](O)[*:1] O=C(Cn1c(nc2ccccc21)C1CCCCC1)NC[*:1]
C[C@H](O)CNC(=O)Cn1c(C2CCCCC2)nc2ccccc21 C[C@H](O)C[*:1] O=C(Cn1c(nc2ccccc21)C1CCCCC1)N[*:1]
COc1ccc(N/C(=N/C(=O)c2ccc(C)c(C)c2)NCc2ccncc2)cc1 c1cc(ccn1)C[*:1] COc1ccc(cc1)N/C(=N/C(=O)c1ccc(C)c(C)c1)N[*:1]
COc1ccc(N/C(=N/C(=O)c2ccc(C)c(C)c2)NCc2ccncc2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1C)C(=O)/N=C(\NCc1ccncc1)N[*:1]
COc1ccc(N/C(=N/C(=O)c2ccc(C)c(C)c2)NCc2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)N/C(=N/C(=O)c1ccc(C)c(C)c1)NC[*:1]
COc1ccc(N/C(=N/C(=O)c2ccc(C)c(C)c2)NCc2ccncc2)cc1 Cc1ccc(cc1C)[*:1] COc1ccc(cc1)N/C(=N/C(=O)[*:1])NCc1ccncc1
C[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)NC(=O)NC1CCCC1 O=C(N[*:1])c1ccccc1 C[C@H](Nc1cccc(c1)[*:1])C(=O)NC(=O)NC1CCCC1
C[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)NC(=O)NC1CCCC1 c1ccc(cc1)[*:1] C[C@H](Nc1cccc(c1)NC(=O)[*:1])C(=O)NC(=O)NC1CCCC1
C[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)NC(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@H](Nc1cccc(c1)NC(=O)c1ccccc1)C(=O)NC(=O)N[*:1]
CCOC(=O)CNC(=O)[C@H]1C=C2C(=O)[NH+]=c3ccc(C)cc3=C2S1 CCOC(=O)[*:1] Cc1ccc2=[NH+]C(=O)C3=C[C@@H](SC3=c2c1)C(=O)NC[*:1]
CCOC(=O)CNC(=O)[C@H]1C=C2C(=O)[NH+]=c3ccc(C)cc3=C2S1 CCOC(=O)C[*:1] Cc1ccc2=[NH+]C(=O)C3=C[C@@H](SC3=c2c1)C(=O)N[*:1]
Cc1ccc(-n2c(SCC(=O)N3CCC(c4ccccc4)=N3)nnc2N2CCCCC2)cc1 C1CCN(CC1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])SCC(=O)N1CCC(=N1)c1ccccc1
Cc1ccc(-n2c(SCC(=O)N3CCC(c4ccccc4)=N3)nnc2N2CCCCC2)cc1 Cc1ccc(cc1)[*:1] O=C(CSc1nnc(N2CCCCC2)n1[*:1])N1CCC(=N1)c1ccccc1
Cc1ccc(-n2c(SCC(=O)N3CCC(c4ccccc4)=N3)nnc2N2CCCCC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCCCC1)SCC(=O)N1CCC(=N1)[*:1]
CCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(Cl)c1)C1=C(N2)c2ccccc2C1=O Clc1cccc(c1)[*:1] CCn1c2NC3=C(C(=O)c4ccccc43)[C@@H](c2c(=O)[nH]c1=O)[*:1]
Cc1cc(C(=O)N(C)C2CCCCC2)sc1C#CCN NCC#C[*:1] Cc1cc(sc1[*:1])C(=O)N(C)C1CCCCC1
Cc1cc(C(=O)N(C)C2CCCCC2)sc1C#CCN C1CCC(CC1)[*:1] Cc1cc(sc1C#CCN)C(=O)N(C)[*:1]
Cc1cccc([C@H](C)CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)c1 Cc1cccc(c1)[*:1] C[C@H](CNC(=O)[C@@H]1Cc2cc(F)ccc2O1)[*:1]
Cc1ccc(N(C)C(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)N(C)C(=O)c1cc(nc2ccccc12)[*:1]
Cc1ccc(N(C)C(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 Cc1ccc(cc1)[*:1] CN(C(=O)c1cc(nc2ccccc12)-c1ccco1)[*:1]
C[C@@H](NS(=O)(=O)Cc1ccon1)c1cccc(Cl)c1 c1cc(no1)[*:1] C[C@@H](NS(=O)(=O)C[*:1])c1cccc(Cl)c1
C[C@@H](NS(=O)(=O)Cc1ccon1)c1cccc(Cl)c1 c1cc(C[*:1])no1 C[C@@H](NS(=O)(=O)[*:1])c1cccc(Cl)c1
Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cc4ccccc4o2)CC3)cc1 c1ccc2oc(cc2c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCOC12CCN(CC2)C(=O)[*:1]
Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cc4ccccc4o2)CC3)cc1 Cc1ccc(cc1)[*:1] O=C(c1cc2ccccc2o1)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
Cc1cc2c(cc1C)=[NH+][C@H](CN1CCN(c3cccc[nH+]3)CC1)C(=O)[NH+]=2 c1ccc([nH+]c1)[*:1] Cc1cc2=[NH+]C(=O)[C@@H](CN3CCN(CC3)[*:1])[NH+]=c2cc1C
COc1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccsc4c(=O)n3Cc3ccc(C)cc3)C2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)[C@@H]1CCCN(C1)c1nc2ccsc2c(=O)n1C[*:1]
COc1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccsc4c(=O)n3Cc3ccc(C)cc3)C2)c1 Cc1ccc(cc1)C[*:1] COc1cccc(c1)NC(=O)[C@@H]1CCCN(C1)c1nc2ccsc2c(=O)n1[*:1]
COc1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccsc4c(=O)n3Cc3ccc(C)cc3)C2)c1 COc1cccc(c1)NC(=O)[*:1] Cc1ccc(cc1)Cn1c(nc2ccsc2c1=O)N1CCC[C@H](C1)[*:1]
COc1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccsc4c(=O)n3Cc3ccc(C)cc3)C2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)Cn1c(nc2ccsc2c1=O)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1cccc([C@@H](C)CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)c1 CC(C)(C)[*:1] Cc1cccc(c1)[C@@H](C)CNC(=O)C(=O)Nc1ccnn1[*:1]
Cc1cccc([C@@H](C)CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)C(=O)Nc1ccnn1C(C)(C)C)[*:1]
CCOc1ccccc1C(=O)NCC(=O)N1C[C@H]2CCCC[C@@H]2C1 CCO[*:1] O=C(NCC(=O)N1C[C@H]2CCCC[C@@H]2C1)c1ccccc1[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)C1 CC(C)(C)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)[C@@H]1CC12CCN(CC2)C(=O)O[*:1]
CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)[*:1] CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccc1OC[*:1]
CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)CO[*:1] CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccc1[*:1]
CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccc1OCC(=O)N(C)C CN(C)C(=O)C[*:1] CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccc1O[*:1]
O=C(C[NH+]1CCCCC1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(C[NH+]1CCCCC1)N[C@H]1CC(=O)N(C1)C[*:1]
O=C(C[NH+]1CCCCC1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 Fc1cccc(c1)C[*:1] O=C(C[NH+]1CCCCC1)N[C@H]1CC(=O)N(C1)[*:1]
CCN(C(=O)c1ccc(OC)c(Br)c1)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)c1ccc(OC)c(Br)c1)[*:1]
CC[C@@H](C)Oc1cccc(NC(=O)NCc2ccc(F)cc2)c1 CC[C@@H](C)O[*:1] O=C(NCc1ccc(F)cc1)Nc1cccc(c1)[*:1]
CC[C@@H](C)Oc1cccc(NC(=O)NCc2ccc(F)cc2)c1 CC[C@@H](C)[*:1] O=C(NCc1ccc(F)cc1)Nc1cccc(c1)O[*:1]
CC[C@@H](C)Oc1cccc(NC(=O)NCc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] CC[C@@H](C)Oc1cccc(c1)NC(=O)NC[*:1]
O=C(NCc1cccnc1-n1cccn1)N[C@H]1C[C@H]2CCCc3cccc1c32 c1cnn(c1)[*:1] O=C(NCc1cccnc1[*:1])N[C@H]1C[C@H]2CCCc3cccc1c32
C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)[*:1]
C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)c1ccc(F)cc1 c1coc(c1)[*:1] C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[*:1])c1ccc(F)cc1
Cc1nnc(-c2cccc(C(=O)N[C@H]3CCC[C@H](C(=O)NC(C)C)C3)c2)o1 CC(C)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)C(=O)N[*:1]
Cc1nnc(-c2cccc(C(=O)N[C@H]3CCC[C@H](C(=O)NC(C)C)C3)c2)o1 CC(C)NC(=O)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)N[C@H]1CCC[C@H](C1)[*:1]
Cc1nnc(-c2cccc(C(=O)N[C@H]3CCC[C@H](C(=O)NC(C)C)C3)c2)o1 Cc1nnc(o1)[*:1] CC(C)NC(=O)[C@H]1CCC[C@@H](C1)NC(=O)c1cccc(c1)[*:1]
C[C@H](c1ccccc1Cl)N(C)C(=O)c1cccc(C[S@@](C)=O)c1 C[S@@](=O)C[*:1] C[C@H](c1ccccc1Cl)N(C)C(=O)c1cccc(c1)[*:1]
C[C@H](c1ccccc1Cl)N(C)C(=O)c1cccc(C[S@@](C)=O)c1 Clc1ccccc1[*:1] C[C@H](N(C)C(=O)c1cccc(c1)C[S@@](C)=O)[*:1]
CCS[C@H]1CC[C@H](NC(=O)NCC[C@H](O)c2ccccc2)C1 CCS[*:1] O=C(NCC[C@H](O)c1ccccc1)N[C@H]1CC[C@@H](C1)[*:1]
CCS[C@H]1CC[C@H](NC(=O)NCC[C@H](O)c2ccccc2)C1 c1ccc(cc1)[*:1] CCS[C@H]1CC[C@@H](C1)NC(=O)NCC[C@H](O)[*:1]
CN(CC(F)(F)F)C(=O)COc1ccc(C(N)=O)cc1 FC(F)(F)[*:1] CN(C[*:1])C(=O)COc1ccc(cc1)C(N)=O
CN(CC(F)(F)F)C(=O)COc1ccc(C(N)=O)cc1 NC(=O)[*:1] CN(CC(F)(F)F)C(=O)COc1ccc(cc1)[*:1]
CN(CC(F)(F)F)C(=O)COc1ccc(C(N)=O)cc1 FC(F)(F)C[*:1] CN(C(=O)COc1ccc(cc1)C(N)=O)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)[N-]/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)ccc1Cl c1csc(c1)[*:1] O=[N+]([O-])c1cc(ccc1Cl)S(=O)(=O)[N-]/N=C/c1cn(nc1[*:1])-c1ccccc1
O=[N+]([O-])c1cc(S(=O)(=O)[N-]/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)ccc1Cl c1ccc(cc1)[*:1] O=[N+]([O-])c1cc(ccc1Cl)S(=O)(=O)[N-]/N=C/c1cn(nc1-c1cccs1)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)[N-]/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)ccc1Cl O=[N+]([O-])c1cc(ccc1Cl)[*:1] O=S(=O)([N-]/N=C/c1cn(nc1-c1cccs1)-c1ccccc1)[*:1]
O=[N+]([O-])c1cc(S(=O)(=O)[N-]/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)ccc1Cl O=[N+]([O-])[*:1] O=S(=O)([N-]/N=C/c1cn(nc1-c1cccs1)-c1ccccc1)c1ccc(Cl)c(c1)[*:1]
CC[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[NH+]1CCC2(CC1)N=C(C(=S)N2C(=O)[*:1])c1ccc(F)cc1
CC[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccc(OC)cc1 Fc1ccc(cc1)[*:1] CC[NH+]1CCC2(CC1)N=C(C(=S)N2C(=O)c1ccc(cc1)OC)[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NC[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)N[*:1]
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NC[C@H]1CCCO1 Fc1ccc(cc1)[*:1] Cc1nn(c(Cl)c1/C=C/C(=O)NC[C@H]1CCCO1)[*:1]
COc1cccc(NC(=O)C[NH+](C)Cc2cnn(C)c2)c1 Cn1cc(cn1)[*:1] COc1cccc(c1)NC(=O)C[NH+](C)C[*:1]
COc1cccc(NC(=O)C[NH+](C)Cc2cnn(C)c2)c1 Cn1cc(cn1)C[*:1] COc1cccc(c1)NC(=O)C[NH+](C)[*:1]
Cn1nc2c(cc1=O)CN(C(=O)CCSc1ccccc1Cl)CC2 Clc1ccccc1[*:1] Cn1nc2CCN(Cc2cc1=O)C(=O)CCS[*:1]
Cn1nc2c(cc1=O)CN(C(=O)CCSc1ccccc1Cl)CC2 Clc1ccccc1S[*:1] Cn1nc2CCN(Cc2cc1=O)C(=O)CC[*:1]
COCCn1ccc2ccc(NC(=O)c3ncccc3OC(C)C)cc21 COC[*:1] CC(C)Oc1cccnc1C(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)c3ncccc3OC(C)C)cc21 CC(C)O[*:1] COCCn1ccc2ccc(cc21)NC(=O)c1ncccc1[*:1]
COCCn1ccc2ccc(NC(=O)c3ncccc3OC(C)C)cc21 CC(C)[*:1] COCCn1ccc2ccc(cc21)NC(=O)c1ncccc1O[*:1]
COCCn1ccc2ccc(NC(=O)c3ncccc3OC(C)C)cc21 COCC[*:1] CC(C)Oc1cccnc1C(=O)Nc1ccc2ccn(c2c1)[*:1]
C#Cc1cccc(NC(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] C#Cc1cccc(c1)NC(=O)O[*:1]
Cc1cc(C)nc(N/C=C2\C(=O)c3c(sc(C)c3C)N(C)S2(=O)=O)n1 Cc1cc(C)nc(n1)[*:1] Cc1sc2c(C(=O)/C(=C\N[*:1])S(=O)(=O)N2C)c1C
Cc1cc(=O)n2c(CCNC(=O)CCc3ccccc3)csc2[nH+]1 c1ccc(cc1)C[*:1] Cc1cc(=O)n2c(csc2[nH+]1)CCNC(=O)C[*:1]
Cc1cc(=O)n2c(CCNC(=O)CCc3ccccc3)csc2[nH+]1 c1ccc(cc1)CC[*:1] Cc1cc(=O)n2c(csc2[nH+]1)CCNC(=O)[*:1]
Cc1cc(=O)n2c(CCNC(=O)CCc3ccccc3)csc2[nH+]1 c1ccc(cc1)[*:1] Cc1cc(=O)n2c(csc2[nH+]1)CCNC(=O)CC[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(Cl)=CC[C@@H]1C(=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)[C@H]1CC(Cl)=CC[C@@H]1C(=O)[O-])[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(Cl)=CC[C@@H]1C(=O)[O-] O=C([O-])[*:1] Cc1cc(ccc1NC(=O)[C@H]1CC(Cl)=CC[C@H]1[*:1])[N+](=O)[O-]
CC(C)Oc1ccc(CCNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 CC(C)O[*:1] O=C(NCCc1ccc(cc1)[*:1])N1CC[C@](O)(C1)C(F)(F)F
CC(C)Oc1ccc(CCNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 FC(F)(F)[*:1] CC(C)Oc1ccc(cc1)CCNC(=O)N1CC[C@@](O)(C1)[*:1]
CC(C)Oc1ccc(CCNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 CC(C)[*:1] O=C(NCCc1ccc(cc1)O[*:1])N1CC[C@](O)(C1)C(F)(F)F
COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(NC(=O)Nc2cccc(C)c2)n1 CC(=O)N[*:1] COc1ccc(cc1NC(=O)Cc1csc(n1)NC(=O)Nc1cccc(C)c1)[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(NC(=O)Nc2cccc(C)c2)n1 Cc1cccc(c1)[*:1] COc1ccc(cc1NC(=O)Cc1csc(n1)NC(=O)N[*:1])NC(C)=O
CNC(=O)NC(=O)CSc1cc(-c2ccccc2)c2c(OC)cc(OC)cc2n1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)CSc1cc(c2c(cc(cc2n1)OC)OC)[*:1]
CNC(=O)NC(=O)CSc1cc(-c2ccccc2)c2c(OC)cc(OC)cc2n1 CNC(=O)NC(=O)C[*:1] COc1cc(OC)c2c(cc(nc2c1)S[*:1])-c1ccccc1
CNC(=O)NC(=O)CSc1cc(-c2ccccc2)c2c(OC)cc(OC)cc2n1 CNC(=O)NC(=O)[*:1] COc1cc(OC)c2c(cc(nc2c1)SC[*:1])-c1ccccc1
CNC(=O)NC(=O)CSc1cc(-c2ccccc2)c2c(OC)cc(OC)cc2n1 CNC(=O)NC(=O)CS[*:1] COc1cc(OC)c2c(cc(nc2c1)[*:1])-c1ccccc1
C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
CC[C@@H](NC(=O)CCC(=O)c1cccs1)c1nc(C)n[nH]1 O=C(c1cccs1)[*:1] CC[C@@H](NC(=O)CC[*:1])c1nc(C)n[nH]1
CC[C@@H](NC(=O)CCC(=O)c1cccs1)c1nc(C)n[nH]1 c1csc(c1)[*:1] CC[C@@H](NC(=O)CCC(=O)[*:1])c1nc(C)n[nH]1
CC[C@@H](NC(=O)CCC(=O)c1cccs1)c1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] CC[C@@H](NC(=O)CCC(=O)c1cccs1)[*:1]
O=C([C@H]1CCCN(c2[nH+]ccc3sccc23)C1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@H]1CCCN(C1)c1[nH+]ccc2sccc12)N1CCN(CC1)[*:1]
CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)CCCn1cncn1)c1ccccc1O2 c1ncn(CC[*:1])n1 CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)C[*:1])c1ccccc1O2
CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)CCCn1cncn1)c1ccccc1O2 c1ncn(n1)[*:1] CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)CCC[*:1])c1ccccc1O2
CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)CCCn1cncn1)c1ccccc1O2 c1ncn(C[*:1])n1 CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)CC[*:1])c1ccccc1O2
CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)CCCn1cncn1)c1ccccc1O2 c1ncn(CCC[*:1])n1 CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)[*:1])c1ccccc1O2
Cc1ccc(NC(=O)CO/N=C(\N)c2cccc(NC(=O)C3CC3)c2)cc1C O=C(N[*:1])C1CC1 Cc1ccc(cc1C)NC(=O)CO/N=C(\N)c1cccc(c1)[*:1]
Cc1ccc(NC(=O)CO/N=C(\N)c2cccc(NC(=O)C3CC3)c2)cc1C C1CC1[*:1] Cc1ccc(cc1C)NC(=O)CO/N=C(\N)c1cccc(c1)NC(=O)[*:1]
Cc1ccc(NC(=O)CO/N=C(\N)c2cccc(NC(=O)C3CC3)c2)cc1C Cc1ccc(cc1C)[*:1] N/C(=N\OCC(=O)N[*:1])c1cccc(c1)NC(=O)C1CC1
CN(C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(S(C)(=O)=O)cc1 FC(F)(F)[*:1] CN(C(=O)C1(CC1)c1cccc(c1)[*:1])c1ccc(cc1)S(C)(=O)=O
CN(C(=O)C1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CN(C(=O)C1(CC1)c1cccc(c1)C(F)(F)F)c1ccc(cc1)[*:1]
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1)N[*:1]
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C(OC[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCCC1 O=S(=O)(N1CCCC1)[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])NC1CCCCC1
O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(CCCc3ccccc3)C[C@H]12 c1ccc(cc1)C[*:1] O=C1N[C@@H](C(=O)N2CCN(CCCc3ccccc3)C[C@H]12)[*:1]
O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(CCCc3ccccc3)C[C@H]12 c1ccc(cc1)[*:1] O=C1N[C@@H](C[*:1])C(=O)N2CCN(CCCc3ccccc3)C[C@H]12
O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(CCCc3ccccc3)C[C@H]12 c1ccc(cc1)[*:1] O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(CCC[*:1])C[C@H]12
O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(CCCc3ccccc3)C[C@H]12 c1ccc(cc1)CCC[*:1] O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(C[C@H]12)[*:1]
O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(CCCc3ccccc3)C[C@H]12 c1ccc(cc1)C[*:1] O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC[*:1])C[C@H]12
O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(CCCc3ccccc3)C[C@H]12 c1ccc(cc1)CC[*:1] O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(C[C@H]12)C[*:1]
Cc1nc(C2CC[NH+](Cc3cc[nH]c3)CC2)n[nH]1 c1cc(c[nH]1)C[*:1] Cc1nc(n[nH]1)C1CC[NH+](CC1)[*:1]
Cc1nc(C2CC[NH+](Cc3cc[nH]c3)CC2)n[nH]1 Cc1nc(n[nH]1)[*:1] c1cc(c[nH]1)C[NH+]1CCC(CC1)[*:1]
Cc1nc(C2CC[NH+](Cc3cc[nH]c3)CC2)n[nH]1 c1cc(c[nH]1)[*:1] Cc1nc(n[nH]1)C1CC[NH+](CC1)C[*:1]
O=C(c1ccc(F)nc1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 Fc1ccc(cn1)[*:1] O=C(N1C[C@@H](O)C[C@@H]1c1cccc(c1)C(F)(F)F)[*:1]
O=C(c1ccc(F)nc1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(c1ccc(F)nc1)N1C[C@@H](O)C[C@@H]1c1cccc(c1)[*:1]
CCOc1ccccc1CCNC(=O)[C@@H]1CCCCN1C(=O)CC CCO[*:1] CCC(=O)N1CCCC[C@H]1C(=O)NCCc1ccccc1[*:1]
O=C(Nc1nnc(-c2ccc(Br)cc2)s1)C1CC1 C1CC1[*:1] O=C(Nc1nnc(s1)-c1ccc(Br)cc1)[*:1]
O=C(Nc1nnc(-c2ccc(Br)cc2)s1)C1CC1 O=C(N[*:1])C1CC1 Brc1ccc(cc1)-c1nnc(s1)[*:1]
Cc1nn(C)c(Oc2cccnc2)c1CN1CCC[C@@H]([NH+](C)C)C1 c1cncc(c1)[*:1] Cc1nn(C)c(O[*:1])c1CN1CCC[C@H](C1)[NH+](C)C
Cc1nn(C)c(Oc2cccnc2)c1CN1CCC[C@@H]([NH+](C)C)C1 c1cncc(c1)O[*:1] Cc1nn(C)c(c1CN1CCC[C@H](C1)[NH+](C)C)[*:1]
COCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2c1=O c1ccc(cc1)O[*:1] COCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)Nc1ccc(cc1)[*:1]
COCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2c1=O c1ccc(cc1)[*:1] COCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)Nc1ccc(cc1)O[*:1]
COCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2c1=O COCC[*:1] O=C(Nc1ccc(cc1)Oc1ccccc1)c1ccc2c(=O)n(c(=O)[nH]c2c1)[*:1]
COCCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2c1=O COC[*:1] O=C(Nc1ccc(cc1)Oc1ccccc1)c1ccc2c(=O)n(C[*:1])c(=O)[nH]c2c1
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)/C([O-])=N/S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(C)c1 Cc1nn(C)c(C)c1[*:1] Cc1ccc(c(C)c1)S(=O)(=O)/N=C(\[O-])[C@H](C)NS(=O)(=O)[*:1]
S=C1[NH+]=N[C@H](c2ccc(Cl)cc2Cl)N1/N=C/C=C/c1ccco1 c1coc(c1)[*:1] S=C1[NH+]=N[C@H](c2ccc(Cl)cc2Cl)N1/N=C/C=C[*:1]
S=C1[NH+]=N[C@H](c2ccc(Cl)cc2Cl)N1/N=C/C=C/c1ccco1 C(=C[*:1])c1ccco1 S=C1[NH+]=N[C@H](c2ccc(Cl)cc2Cl)N1N=C[*:1]
COC(=O)c1cc(NC(=O)N2CCC[C@H]3CCC[C@H]32)ccc1C COC(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)N1CCC[C@H]2CCC[C@H]21
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(CC)cc2)C(C#N)=C(N)O3)cc1 CCC[*:1] CCc1ccc(cc1)[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccc(cc3)O[*:1])c21
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(CC)cc2)C(C#N)=C(N)O3)cc1 CCc1ccc(cc1)[*:1] CCCOc1ccc(cc1)-c1[nH]nc2OC(N)=C(C#N)[C@H](c21)[*:1]
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(CC)cc2)C(C#N)=C(N)O3)cc1 CCCO[*:1] CCc1ccc(cc1)[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccc(cc3)[*:1])c21
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(CC)cc2)C(C#N)=C(N)O3)cc1 CCCOc1ccc(cc1)[*:1] CCc1ccc(cc1)[C@H]1C(C#N)=C(N)Oc2n[nH]c(c21)[*:1]
Cc1ccc(O[C@H](C)CNC(=O)N2CCC[C@@H](CCO)C2)cc1 Cc1ccc(cc1)[*:1] C[C@H](CNC(=O)N1CCC[C@@H](CCO)C1)O[*:1]
Cc1ccc(O[C@H](C)CNC(=O)N2CCC[C@@H](CCO)C2)cc1 OCC[*:1] Cc1ccc(cc1)O[C@H](C)CNC(=O)N1CCC[C@@H](C1)[*:1]
CC(C)(C)C(=O)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 CC(C)(C)[*:1] O=C(Nc1cccc(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
CC(C)(C)C(=O)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] CC(C)(C)C(=O)N1CCN(CC1)C(=O)Nc1cccc(c1)[*:1]
COc1ccc(S[C@H](C)C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](S[*:1])C(=O)N(C[C@H]1CCCO1)c1ccncc1
COc1ccc(S[C@H](C)C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)S[C@H](C)C(=O)N(C[C@H]1CCCO1)[*:1]
COc1ccc(S[C@H](C)C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1 C1CO[C@H](C1)C[*:1] COc1ccc(cc1)S[C@H](C)C(=O)N(c1ccncc1)[*:1]
COc1ccc(S[C@H](C)C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1 C1CO[C@H](C1)[*:1] COc1ccc(cc1)S[C@H](C)C(=O)N(C[*:1])c1ccncc1
CNS(=O)(=O)c1ccc(NC[C@H]2CN(C)CCO2)c(N)c1 CN1CCO[C@H](C1)[*:1] CNS(=O)(=O)c1ccc(NC[*:1])c(N)c1
CNS(=O)(=O)c1ccc(NC[C@H]2CN(C)CCO2)c(N)c1 CNS(=O)(=O)[*:1] CN1CCO[C@@H](CNc2ccc(cc2N)[*:1])C1
COC[C@H](C)NC(=O)NC(=O)CSc1cccc(F)c1 COC[*:1] C[C@H](NC(=O)NC(=O)CSc1cccc(F)c1)[*:1]
COC[C@H](C)NC(=O)NC(=O)CSc1cccc(F)c1 COC[C@H](C)[*:1] O=C(CSc1cccc(F)c1)NC(=O)N[*:1]
Cc1ccn2c(C[C@@H](C[NH3+])CC(C)C)nnc2c1 CC(C)C[*:1] Cc1ccn2c(C[C@@H](C[NH3+])[*:1])nnc2c1
Cc1ccn2c(C[C@@H](C[NH3+])CC(C)C)nnc2c1 CC(C)[*:1] Cc1ccn2c(C[C@@H](C[NH3+])C[*:1])nnc2c1
CN(C)C(=O)Cn1cc(NC(=O)CCOc2cccc(Br)c2)cn1 CN(C)C(=O)C[*:1] O=C(CCOc1cccc(Br)c1)Nc1cnn(c1)[*:1]
CN(C)C(=O)Cn1cc(NC(=O)CCOc2cccc(Br)c2)cn1 Brc1cccc(c1)O[*:1] CN(C)C(=O)Cn1cc(cn1)NC(=O)CC[*:1]
CN(C)C(=O)Cn1cc(NC(=O)CCOc2cccc(Br)c2)cn1 Brc1cccc(c1)[*:1] CN(C)C(=O)Cn1cc(cn1)NC(=O)CCO[*:1]
CN(C)C(=O)Cn1cc(NC(=O)CCOc2cccc(Br)c2)cn1 CN(C)C(=O)[*:1] O=C(CCOc1cccc(Br)c1)Nc1cnn(c1)C[*:1]
N#Cc1ccccc1N1CCN([C@H]2CCN(c3ccccc3F)C2=O)CC1 N#Cc1ccccc1[*:1] O=C1[C@H](CCN1c1ccccc1F)N1CCN(CC1)[*:1]
N#Cc1ccccc1N1CCN([C@H]2CCN(c3ccccc3F)C2=O)CC1 Fc1ccccc1[*:1] N#Cc1ccccc1N1CCN(CC1)[C@H]1CCN(C1=O)[*:1]
CNc1nc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccc3C)C2)cs1 CNc1nc(cs1)[*:1] Cc1ccccc1[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)[*:1]
CNc1nc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccc3C)C2)cs1 Cc1ccccc1[*:1] CNc1nc(cs1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C1)[*:1]
CNc1nc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccc3C)C2)cs1 O=C([O-])[*:1] CNc1nc(cs1)C(=O)N1C[C@@H]([C@@H](C1)c1ccccc1C)[*:1]
Cc1nn(Cc2ccc(C(=O)N[C@H]3C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] C[C@H]1C[C@@H]1NC(=O)[*:1] Cc1nn(Cc2ccc(cc2)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(Cc2ccc(C(=O)N[C@H]3C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(Cc2ccc(cc2)C(=O)N[C@H]2C[C@@H]2C)c(C)c1[*:1]
COc1ccc(OC)c(NC(=O)N(CCC#N)C2CCCCC2)c1 C1CCC(CC1)[*:1] COc1ccc(OC)c(c1)NC(=O)N(CCC#N)[*:1]
COc1ccc(OC)c(NC(=O)N(CCC#N)C2CCCCC2)c1 N#CCC[*:1] COc1ccc(OC)c(c1)NC(=O)N(C1CCCCC1)[*:1]
COc1ccc(OC)c(NC(=O)N(CCC#N)C2CCCCC2)c1 N#CC[*:1] COc1ccc(OC)c(c1)NC(=O)N(C[*:1])C1CCCCC1
C[C@H](Cn1cncn1)[NH2+]Cc1ccc([S@@](C)=O)cc1 c1ncn(n1)[*:1] C[C@H](C[*:1])[NH2+]Cc1ccc(cc1)[S@@](C)=O
C[C@H](Cn1cncn1)[NH2+]Cc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] C[C@H](Cn1cncn1)[NH2+]Cc1ccc(cc1)[*:1]
C[C@H](Cn1cncn1)[NH2+]Cc1ccc([S@@](C)=O)cc1 c1ncn(C[*:1])n1 C[C@H]([NH2+]Cc1ccc(cc1)[S@@](C)=O)[*:1]
CC(C)C[NH+]1CCN([C@@H]2CC[C@@](C#N)(NC(C)C)C2)CC1 CC(C)[*:1] CC(C)C[NH+]1CCN(CC1)[C@@H]1CC[C@](C#N)(C1)N[*:1]
CC(C)C[NH+]1CCN([C@@H]2CC[C@@](C#N)(NC(C)C)C2)CC1 CC(C)[*:1] CC(C)N[C@]1(C#N)CC[C@H](C1)N1CC[NH+](CC1)C[*:1]
CC(C)C[NH+]1CCN([C@@H]2CC[C@@](C#N)(NC(C)C)C2)CC1 CC(C)N[*:1] CC(C)C[NH+]1CCN(CC1)[C@@H]1CC[C@@](C#N)(C1)[*:1]
CC(C)C[NH+]1CCN([C@@H]2CC[C@@](C#N)(NC(C)C)C2)CC1 CC(C)C[*:1] CC(C)N[C@]1(C#N)CC[C@H](C1)N1CC[NH+](CC1)[*:1]
CC(C)(C)c1ncc(NC(=O)c2ccccc2Cn2cncn2)cn1 CC(C)(C)[*:1] O=C(Nc1cnc(nc1)[*:1])c1ccccc1Cn1cncn1
CC(C)(C)c1ncc(NC(=O)c2ccccc2Cn2cncn2)cn1 c1ncn(C[*:1])n1 CC(C)(C)c1ncc(cn1)NC(=O)c1ccccc1[*:1]
CC(C)(C)c1ncc(NC(=O)c2ccccc2Cn2cncn2)cn1 c1ncn(n1)[*:1] CC(C)(C)c1ncc(cn1)NC(=O)c1ccccc1C[*:1]
Cc1nc(C(C)(C)NC(=O)NC[C@@H]2CCO[C@@H]2C(C)(C)C)sc1C CC(C)(C)[*:1] Cc1nc(sc1C)C(C)(C)NC(=O)NC[C@@H]1CCO[C@H]1[*:1]
Cc1nc(C(C)(C)NC(=O)NC[C@@H]2CCO[C@@H]2C(C)(C)C)sc1C Cc1nc(sc1C)[*:1] CC(C)(C)[C@H]1OCC[C@H]1CNC(=O)NC(C)(C)[*:1]
Cc1cccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)N4CCCC4)c3C(=O)N2C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)CNC(=O)[C@]1(C)Cn2cnc(C(=O)N3CCCC3)c2C(=O)N1[*:1]
Cc1cccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)N4CCCC4)c3C(=O)N2C2CC2)c1 O=C(N1CCCC1)[*:1] Cc1cccc(c1)CNC(=O)[C@]1(C)Cn2cnc(c2C(=O)N1C1CC1)[*:1]
Cc1cccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)N4CCCC4)c3C(=O)N2C2CC2)c1 Cc1cccc(c1)[*:1] C[C@]1(Cn2cnc(C(=O)N3CCCC3)c2C(=O)N1C1CC1)C(=O)NC[*:1]
Cc1cccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)N4CCCC4)c3C(=O)N2C2CC2)c1 Cc1cccc(c1)C[*:1] C[C@]1(Cn2cnc(C(=O)N3CCCC3)c2C(=O)N1C1CC1)C(=O)N[*:1]
O=C(NCc1ccco1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCCO)C1 c1coc(c1)C[*:1] O=C(N[*:1])N1CC[C@@H]2[C@@H](CCC(=O)N2CCCCO)C1
O=C(NCc1ccco1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCCO)C1 c1coc(c1)[*:1] O=C(NC[*:1])N1CC[C@@H]2[C@@H](CCC(=O)N2CCCCO)C1
O=C(NCc1ccco1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCCO)C1 OCC[*:1] O=C(NCc1ccco1)N1CC[C@@H]2[C@@H](CCC(=O)N2CC[*:1])C1
O=C(NCc1ccco1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCCO)C1 OCCCC[*:1] O=C(NCc1ccco1)N1CC[C@@H]2[C@@H](CCC(=O)N2[*:1])C1
O=C(NCc1ccco1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCCO)C1 OCCC[*:1] O=C(NCc1ccco1)N1CC[C@@H]2[C@@H](CCC(=O)N2C[*:1])C1
C=C(C)CSCC(=O)Nc1c(C)n[nH]c1C C=C(C)CS[*:1] Cc1n[nH]c(C)c1NC(=O)C[*:1]
C=C(C)CSCC(=O)Nc1c(C)n[nH]c1C C=C(C)[*:1] Cc1n[nH]c(C)c1NC(=O)CSC[*:1]
C=C(C)CSCC(=O)Nc1c(C)n[nH]c1C C=C(C)C[*:1] Cc1n[nH]c(C)c1NC(=O)CS[*:1]
COc1ccc2c(C)c(CCC(=O)NC[C@H](O)c3ccccc3)c(=O)oc2c1C O[C@H](c1ccccc1)[*:1] COc1ccc2c(C)c(CCC(=O)NC[*:1])c(=O)oc2c1C
COc1ccc2c(C)c(CCC(=O)NC[C@H](O)c3ccccc3)c(=O)oc2c1C c1ccc(cc1)[*:1] COc1ccc2c(C)c(CCC(=O)NC[C@H](O)[*:1])c(=O)oc2c1C
COc1ccc2c(C)c(CCC(=O)NC[C@H](O)c3ccccc3)c(=O)oc2c1C O[C@@H](C[*:1])c1ccccc1 COc1ccc2c(C)c(CCC(=O)N[*:1])c(=O)oc2c1C
O[C@@]1(c2ccc(Cl)c(Cl)c2)C[n+]2ccccc2N1Cc1ccccc1 c1ccc(cc1)C[*:1] O[C@]1(C[n+]2ccccc2N1[*:1])c1ccc(Cl)c(Cl)c1
O[C@@]1(c2ccc(Cl)c(Cl)c2)C[n+]2ccccc2N1Cc1ccccc1 Clc1ccc(cc1Cl)[*:1] O[C@]1(C[n+]2ccccc2N1Cc1ccccc1)[*:1]
O[C@@]1(c2ccc(Cl)c(Cl)c2)C[n+]2ccccc2N1Cc1ccccc1 c1ccc(cc1)[*:1] O[C@]1(C[n+]2ccccc2N1C[*:1])c1ccc(Cl)c(Cl)c1
Cc1ccc(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2ccccc23)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N[*:1])c1sc(=S)n2c1[nH]c(=O)c1ccccc12
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)c(F)c2)C1 Cc1ccc(cc1F)[*:1] CCCNC(=O)[C@@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)c(F)c2)C1 CCCNC(=O)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N1CCC[C@H](C1)[*:1]
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)c(F)c2)C1 CCC[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1cccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)c1OC CC(C)(C)[*:1] COc1cccc(C(=O)Nc2c3CS(=O)(=O)Cc3nn2[*:1])c1OC
CC(C)(C)OC(=O)N1CCC[C@@H](COCc2nc(-c3ccccn3)no2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@@H](COCc2nc(no2)-c2ccccn2)C1
CC(C)(C)OC(=O)N1CCC[C@@H](COCc2nc(-c3ccccn3)no2)C1 c1ccc(nc1)[*:1] CC(C)(C)OC(=O)N1CCC[C@@H](COCc2nc(no2)[*:1])C1
CS(=O)(=O)CCCSc1nnc(-c2ccccc2)c2ccccc12 CS(=O)(=O)CCCS[*:1] c1ccc(cc1)-c1nnc(c2ccccc12)[*:1]
CS(=O)(=O)CCCSc1nnc(-c2ccccc2)c2ccccc12 CS(=O)(=O)CC[*:1] c1ccc(cc1)-c1nnc(SC[*:1])c2ccccc12
CS(=O)(=O)CCCSc1nnc(-c2ccccc2)c2ccccc12 CS(=O)(=O)[*:1] c1ccc(cc1)-c1nnc(SCCC[*:1])c2ccccc12
CS(=O)(=O)CCCSc1nnc(-c2ccccc2)c2ccccc12 CS(=O)(=O)C[*:1] c1ccc(cc1)-c1nnc(SCC[*:1])c2ccccc12
CS(=O)(=O)CCCSc1nnc(-c2ccccc2)c2ccccc12 CS(=O)(=O)CCC[*:1] c1ccc(cc1)-c1nnc(S[*:1])c2ccccc12
CS(=O)(=O)CCCSc1nnc(-c2ccccc2)c2ccccc12 c1ccc(cc1)[*:1] CS(=O)(=O)CCCSc1nnc(c2ccccc12)[*:1]
CO[C@H](CNC(=O)Cn1c(=O)[nH]c2ccccc21)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)Cn1c(=O)[nH]c2ccccc21)[*:1]
CC(C)c1ocnc1CS(=O)(=O)[C@@H](C)C(=O)NCC1CCCCC1 C1CCC(CC1)[*:1] CC(C)c1ocnc1CS(=O)(=O)[C@@H](C)C(=O)NC[*:1]
CC(C)c1ocnc1CS(=O)(=O)[C@@H](C)C(=O)NCC1CCCCC1 CC(C)[*:1] C[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)Cc1ncoc1[*:1]
CC(C)c1ocnc1CS(=O)(=O)[C@@H](C)C(=O)NCC1CCCCC1 C1CCC(CC1)C[*:1] CC(C)c1ocnc1CS(=O)(=O)[C@@H](C)C(=O)N[*:1]
CC(C)c1ocnc1CS(=O)(=O)[C@@H](C)C(=O)NCC1CCCCC1 CC(C)c1ocnc1[*:1] C[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)C[*:1]
O=C(Nc1cc(F)ccc1F)c1ccc(=O)n(Cc2ccccc2F)c1 Fc1ccccc1[*:1] O=C(Nc1cc(F)ccc1F)c1ccc(=O)n(c1)C[*:1]
O=C(Nc1cc(F)ccc1F)c1ccc(=O)n(Cc2ccccc2F)c1 Fc1ccccc1C[*:1] O=C(Nc1cc(F)ccc1F)c1ccc(=O)n(c1)[*:1]
O=C(Nc1cc(F)ccc1F)c1ccc(=O)n(Cc2ccccc2F)c1 Fc1ccc(F)c(c1)[*:1] O=C(N[*:1])c1ccc(=O)n(c1)Cc1ccccc1F
CSCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1noc(C)n1 Clc1ccc(cc1)[*:1] CSCCCC(=O)N[C@@H](c1noc(C)n1)[*:1]
CSCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1noc(C)n1 CSC[*:1] Cc1nc(no1)[C@@H](NC(=O)CC[*:1])c1ccc(Cl)cc1
CSCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1noc(C)n1 CSCCC[*:1] Cc1nc(no1)[C@@H](NC(=O)[*:1])c1ccc(Cl)cc1
CSCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1noc(C)n1 Cc1nc(no1)[*:1] CSCCCC(=O)N[C@@H](c1ccc(Cl)cc1)[*:1]
CSCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1noc(C)n1 CSCC[*:1] Cc1nc(no1)[C@@H](NC(=O)C[*:1])c1ccc(Cl)cc1
Cc1cc([N+](=O)[O-])c(C)cc1C#N O=[N+]([O-])[*:1] Cc1cc(c(C)cc1C#N)[*:1]
O=C(CC[C@H]1COc2ccccc2O1)NCc1ccco1 c1coc(c1)[*:1] O=C(CC[C@H]1COc2ccccc2O1)NC[*:1]
O=C(CC[C@H]1COc2ccccc2O1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CC[C@H]1COc2ccccc2O1)N[*:1]
COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccc(C)cc1C Cc1ccc(c(C)c1)[*:1] COc1cc(C#N)ccc1O[C@@H](C)C(=O)N[*:1]
Cc1cccc(N2CCN(C[C@@H](O)C3=CC4=CC=N[C@@H]4C=C3)CC2)c1C Cc1cccc(c1C)[*:1] O[C@H](CN1CCN(CC1)[*:1])C1C=C[C@H]2N=CC=C2C=1
COC(=O)CNS(=O)(=O)Nc1ccccc1C(F)(F)F COC(=O)C[*:1] O=S(=O)(Nc1ccccc1C(F)(F)F)N[*:1]
COC(=O)CNS(=O)(=O)Nc1ccccc1C(F)(F)F COC(=O)[*:1] O=S(=O)(NC[*:1])Nc1ccccc1C(F)(F)F
COC(=O)CNS(=O)(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] COC(=O)CNS(=O)(=O)Nc1ccccc1[*:1]
Cc1noc(CNc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)n1 Cc1noc(C[*:1])n1 O=C(Nc1ccc(F)c(c1)N[*:1])c1ccc2OCOc2c1
Cc1noc(CNc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)n1 Cc1noc(n1)[*:1] O=C(Nc1ccc(F)c(c1)NC[*:1])c1ccc2OCOc2c1
Cc1noc(CNc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)n1 c1cc2OCOc2cc1[*:1] Cc1noc(CNc2cc(ccc2F)NC(=O)[*:1])n1
Cc1noc(CNc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)n1 Cc1noc(CN[*:1])n1 O=C(Nc1ccc(F)c(c1)[*:1])c1ccc2OCOc2c1
Cn1ccc(-c2nnc(NC(=O)c3ccc4c(c3)OCO4)o2)n1 Cn1ccc(n1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc2OCOc2c1
Cc1nc(C)c(/C([O-])=N/S(=O)(=O)Cc2ccccc2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)/C([O-])=N/S(=O)(=O)C[*:1]
C[C@H](CNc1nnc(Cl)cc1C(N)=O)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](CNc1nnc(Cl)cc1C(N)=O)c1nc(no1)[*:1]
C[C@H](CNc1nnc(Cl)cc1C(N)=O)c1nc(-c2ccccc2)no1 NC(=O)[*:1] C[C@H](CNc1nnc(Cl)cc1[*:1])c1nc(no1)-c1ccccc1
COc1ccc2c(c1)C1=NC(=S)N(Cc3ccc(C(=O)NCc4ccc(C)cc4)cc3)C(=O)C1=N2 Cc1ccc(cc1)C[*:1] COc1ccc2N=C3C(=O)N(Cc4ccc(cc4)C(=O)N[*:1])C(=S)N=C3c2c1
COc1ccc2c(c1)C1=NC(=S)N(Cc3ccc(C(=O)NCc4ccc(C)cc4)cc3)C(=O)C1=N2 Cc1ccc(cc1)[*:1] COc1ccc2N=C3C(=O)N(Cc4ccc(cc4)C(=O)NC[*:1])C(=S)N=C3c2c1
COc1ccc2c(c1)C1=NC(=S)N(Cc3ccc(C(=O)NCc4ccc(C)cc4)cc3)C(=O)C1=N2 Cc1ccc(cc1)CNC(=O)[*:1] COc1ccc2N=C3C(=O)N(Cc4ccc(cc4)[*:1])C(=S)N=C3c2c1
C[C@H]1CC[C@@](C#N)([C@]2(O)CCC[C@@H]2S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@H]1CC[C@](C#N)(C1)[C@]1(O)CCC[C@H]1[*:1]
Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(cc1)[*:1]
Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1 c1ccc(cc1)[*:1] Cc1nc(=O)c(c(C)n1-c1ccc(cc1)C(=O)[O-])[*:1]
C[C@H](OC(=O)c1occc1Br)c1nc2ccccc2n1C Brc1ccoc1[*:1] C[C@H](OC(=O)[*:1])c1nc2ccccc2n1C
O=C(NCc1cccs1)c1cccc(-n2cccn2)n1 c1csc(c1)C[*:1] O=C(N[*:1])c1cccc(n1)-n1cccn1
O=C(NCc1cccs1)c1cccc(-n2cccn2)n1 c1csc(c1)[*:1] O=C(NC[*:1])c1cccc(n1)-n1cccn1
O=C(NCc1cccs1)c1cccc(-n2cccn2)n1 c1cnn(c1)[*:1] O=C(NCc1cccs1)c1cccc(n1)[*:1]
CC(C)n1nccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 CC(C)[*:1] O=C(Nc1ccnn1[*:1])[C@H]1CC(=O)N(C1)c1ccc(Br)cc1
CC(C)n1nccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 CC(C)n1nccc1[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccc(Br)cc1
CC(C)n1nccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 Brc1ccc(cc1)[*:1] CC(C)n1nccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(=O)N[C@H](CO)C(=O)c1ccc(N)cc1 CC(=O)N[*:1] Nc1ccc(cc1)C(=O)[C@@H](CO)[*:1]
COC(=O)[C@H](NC(=O)c1cccc(C)n1)c1ccc(F)cc1F COC(=O)[*:1] Cc1cccc(n1)C(=O)N[C@H](c1ccc(F)cc1F)[*:1]
COC(=O)[C@H](NC(=O)c1cccc(C)n1)c1ccc(F)cc1F Cc1cccc(n1)[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(F)cc1F
CC(C)CC(C)(C)CNC(=O)[C@H](C)NC(=O)C(C)(C)C CC(C)C[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)NCC(C)(C)[*:1]
CC(C)CC(C)(C)CNC(=O)[C@H](C)NC(=O)C(C)(C)C CC(C)[*:1] C[C@H](NC(=O)C(C)(C)C)C(=O)NCC(C)(C)C[*:1]
CC(C)CC(C)(C)CNC(=O)[C@H](C)NC(=O)C(C)(C)C CC(C)(C)[*:1] CC(C)CC(C)(C)CNC(=O)[C@H](C)NC(=O)[*:1]
C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)C[*:1] C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCN(C1=O)[*:1]
C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O FC(F)(F)[*:1] C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCN(C[*:1])C1=O
C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O Fc1cccc(c1)[*:1] C[C@@H](CC(=O)N[*:1])[NH2+][C@H]1CCN(CC(F)(F)F)C1=O
O=C(Nc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCSc2ccc(F)cc21 Clc1ccc(c(Cl)c1)[*:1] O=C(N[C@@H]1CCSc2ccc(F)cc21)C(=O)N[*:1]
CCc1ccc(C(=O)[C@H](C)Sc2nnc([C@H]3CCS(=O)(=O)C3)n2C)cc1 CCc1ccc(cc1)[*:1] C[C@H](Sc1nnc([C@H]2CCS(=O)(=O)C2)n1C)C(=O)[*:1]
CCc1ccc(C(=O)[C@H](C)Sc2nnc([C@H]3CCS(=O)(=O)C3)n2C)cc1 O=S1(=O)CC[C@@H](C1)[*:1] CCc1ccc(cc1)C(=O)[C@H](C)Sc1nnc(n1C)[*:1]
CCOc1cccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 CCO[*:1] COc1ccc(/C=C/C(=O)Nc2cccc(c2)[*:1])cc1OC
Cc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)N[C@H](C(N)=O)c4ccccc4)n23)cc1 Cc1ccc(cc1)[*:1] NC(=O)[C@@H](NC(=O)CSc1nnc2c3ccccc3nc(n12)[*:1])c1ccccc1
Cc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)N[C@H](C(N)=O)c4ccccc4)n23)cc1 NC(=O)[*:1] Cc1ccc(cc1)-c1nc2ccccc2c2nnc(SCC(=O)N[C@H](c3ccccc3)[*:1])n12
Cc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)N[C@H](C(N)=O)c4ccccc4)n23)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-c1nc2ccccc2c2nnc(SCC(=O)N[C@H](C(N)=O)[*:1])n12
CC(=O)N1CCC(NC(=O)/C=C/c2cn(Cc3ccccc3)nn2)CC1 c1ccc(cc1)C[*:1] CC(=O)N1CCC(CC1)NC(=O)/C=C/c1cn(nn1)[*:1]
CC(=O)N1CCC(NC(=O)/C=C/c2cn(Cc3ccccc3)nn2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)NC(=O)/C=C/c1cn(C[*:1])nn1
CN(C(=O)CSc1ccc(N)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] CN(C(=O)CSc1ccc(N)c(Cl)c1)[*:1]
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1)c1ccco1 c1coc(c1)[*:1] O=C1C(O)=C(C(=O)[*:1])[C@@H](c2cccc(F)c2)N1C[C@@H]1CCCO1
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1)c1ccco1 O=C(c1ccco1)[*:1] O=C1C(O)=C([C@@H](c2cccc(F)c2)N1C[C@@H]1CCCO1)[*:1]
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1)c1ccco1 C1CO[C@@H](C1)[*:1] O=C(C1=C(O)C(=O)N(C[*:1])[C@@H]1c1cccc(F)c1)c1ccco1
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1)c1ccco1 Fc1cccc(c1)[*:1] O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1[*:1])c1ccco1
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1)c1ccco1 C1CO[C@@H](C1)C[*:1] O=C(C1=C(O)C(=O)N([C@@H]1c1cccc(F)c1)[*:1])c1ccco1
CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccnc1N1CCOCC1 C1CN(CCO1)[*:1] CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccnc1[*:1]
COC(=O)Nc1cc2oc3ccccc3c2cc1OC COC(=O)N[*:1] COc1cc2c(cc1[*:1])oc1ccccc12
Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccccc1[*:1]
Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1)[*:1]
O=C([O-])[C@@H](CCCCO)c1cccc(Cl)c1 O=C([O-])[*:1] OCCCC[C@@H](c1cccc(Cl)c1)[*:1]
O=C([O-])[C@@H](CCCCO)c1cccc(Cl)c1 OCCCC[*:1] O=C([O-])[C@@H](c1cccc(Cl)c1)[*:1]
O=C([O-])[C@@H](CCCCO)c1cccc(Cl)c1 OCCC[*:1] O=C([O-])[C@@H](C[*:1])c1cccc(Cl)c1
O=C([O-])[C@@H](CCCCO)c1cccc(Cl)c1 OCC[*:1] O=C([O-])[C@@H](CC[*:1])c1cccc(Cl)c1
CC(C)[NH2+]C[C@@H](C)[C@@H](C)N(C)[C@@H](C)c1cccc(Cl)c1 CC(C)[*:1] C[C@@H](c1cccc(Cl)c1)N(C)[C@H](C)[C@H](C)C[NH2+][*:1]
O=C([O-])/C=C/c1cc(F)cc(CSc2ccncc2)c1 O=C([O-])C=C[*:1] Fc1cc(cc(c1)[*:1])CSc1ccncc1
O=C([O-])/C=C/c1cc(F)cc(CSc2ccncc2)c1 c1cc(ccn1)[*:1] O=C([O-])/C=C/c1cc(F)cc(c1)CS[*:1]
O=C([O-])/C=C/c1cc(F)cc(CSc2ccncc2)c1 O=C([O-])[*:1] Fc1cc(C=C[*:1])cc(c1)CSc1ccncc1
CCC(CC)([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCC(CC)([NH2+]C[C@@H]1CCCN(C1)S(C)(=O)=O)[*:1]
CC[C@H](N[C@@H](C)c1nc2ccccc2n1C(F)F)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](N[C@@H](C)c1nc2ccccc2n1C(F)F)[*:1]
CC[C@H](N[C@@H](C)c1nc2ccccc2n1C(F)F)c1ccncc1 FC(F)[*:1] CC[C@H](N[C@@H](C)c1nc2ccccc2n1[*:1])c1ccncc1
NS(=O)(=O)CCCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 NS(=O)(=O)[*:1] O=C(CCC[*:1])N1CCO[C@H](C1)c1ccc(Cl)c(Cl)c1
NS(=O)(=O)CCCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 NS(=O)(=O)CC[*:1] O=C(C[*:1])N1CCO[C@H](C1)c1ccc(Cl)c(Cl)c1
NS(=O)(=O)CCCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 NS(=O)(=O)CCC[*:1] O=C(N1CCO[C@H](C1)c1ccc(Cl)c(Cl)c1)[*:1]
NS(=O)(=O)CCCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 NS(=O)(=O)C[*:1] O=C(CC[*:1])N1CCO[C@H](C1)c1ccc(Cl)c(Cl)c1
O=C(NCc1ccc(F)cc1F)C1CCN(S(=O)(=O)[C@@H]2C=C[C@H]([C@@H]3C=CN=N3)O2)CC1 Fc1ccc(c(F)c1)[*:1] O=C(NC[*:1])C1CCN(CC1)S(=O)(=O)[C@@H]1C=C[C@@H](O1)[C@@H]1C=CN=N1
O=C(NCc1ccc(F)cc1F)C1CCN(S(=O)(=O)[C@@H]2C=C[C@H]([C@@H]3C=CN=N3)O2)CC1 Fc1ccc(C[*:1])c(F)c1 O=C(N[*:1])C1CCN(CC1)S(=O)(=O)[C@@H]1C=C[C@@H](O1)[C@@H]1C=CN=N1
Cc1cccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1C Cc1cccc(c1C)[*:1] O=C(Cn1cnc2ccc(Br)cc2c1=O)N[*:1]
Oc1cccc(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1 FC(F)(F)O[*:1] Oc1cccc(c1)C[C@@H](O)c1ccc(cc1)[*:1]
Oc1cccc(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1 Oc1cccc(c1)[*:1] O[C@H](C[*:1])c1ccc(cc1)OC(F)(F)F
Oc1cccc(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1 FC(F)(F)[*:1] Oc1cccc(c1)C[C@@H](O)c1ccc(cc1)O[*:1]
CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 CCOc1ccc(cc1)[*:1] O=C1CCCC2Nc3c(cnn3[C@H](C=21)[*:1])C(=O)Nc1ccc(F)cc1
CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 Fc1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H]1C2C(=O)CCCC=2Nc2c(cnn21)C(=O)N[*:1]
CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 O=C(Nc1ccc(F)cc1)[*:1] CCOc1ccc(cc1)[C@H]1C2C(=O)CCCC=2Nc2c(cnn21)[*:1]
CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 CCO[*:1] O=C1CCCC2Nc3c(cnn3[C@H](C=21)c1ccc(cc1)[*:1])C(=O)Nc1ccc(F)cc1
CC(C)(C)[S@@](=O)CCNC(=O)N[C@H]1CCc2c(O)cccc21 CC(C)(C)[*:1] O=C(NCC[S@](=O)[*:1])N[C@H]1CCc2c(O)cccc21
CCc1ccccc1NC(=O)CNC(=O)CSc1nc2ccccc2o1 CCc1ccccc1[*:1] O=C(CSc1nc2ccccc2o1)NCC(=O)N[*:1]
CC(C)C[C@@H](NC(=O)c1cc[nH]c1)C(=O)Nc1nccs1 CC(C)[*:1] O=C(N[C@H](C[*:1])C(=O)Nc1nccs1)c1cc[nH]c1
CC(C)C[C@@H](NC(=O)c1cc[nH]c1)C(=O)Nc1nccs1 CC(C)C[*:1] O=C(N[C@@H](C(=O)Nc1nccs1)[*:1])c1cc[nH]c1
CC(C)C[C@@H](NC(=O)c1cc[nH]c1)C(=O)Nc1nccs1 c1cc(c[nH]1)[*:1] CC(C)C[C@@H](NC(=O)[*:1])C(=O)Nc1nccs1
CC(C)C[C@@H](NC(=O)c1cc[nH]c1)C(=O)Nc1nccs1 c1csc(n1)[*:1] CC(C)C[C@@H](NC(=O)c1cc[nH]c1)C(=O)N[*:1]
Cc1cc2nc(C(C)C)[nH]c2cc1C CC(C)[*:1] Cc1cc2nc([nH]c2cc1C)[*:1]
Cc1cccc(-c2nc3nc(C)c(CC(=O)NC(C)C)c(C)n3n2)c1 CC(C)[*:1] Cc1cccc(c1)-c1nc2nc(C)c(CC(=O)N[*:1])c(C)n2n1
Cc1cccc(-c2nc3nc(C)c(CC(=O)NC(C)C)c(C)n3n2)c1 Cc1cccc(c1)[*:1] Cc1nc2nc(nn2c(C)c1CC(=O)NC(C)C)[*:1]
Cc1cccc(-c2nc3nc(C)c(CC(=O)NC(C)C)c(C)n3n2)c1 CC(C)NC(=O)[*:1] Cc1cccc(c1)-c1nc2nc(C)c(C[*:1])c(C)n2n1
Cc1cccc(-c2nc3nc(C)c(CC(=O)NC(C)C)c(C)n3n2)c1 CC(C)NC(=O)C[*:1] Cc1cccc(c1)-c1nc2nc(C)c(c(C)n2n1)[*:1]
C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1noc(-c2ccsc2)n1 c1cc(cs1)[*:1] C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1noc(n1)[*:1]
C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1noc(-c2ccsc2)n1 O=C(NC1CCCC1)[*:1] C[C@@H](S(=O)(=O)Cc1noc(n1)-c1ccsc1)[*:1]
C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1noc(-c2ccsc2)n1 C1CCC(C1)[*:1] C[C@@H](C(=O)N[*:1])S(=O)(=O)Cc1noc(n1)-c1ccsc1
C[C@H](NC(=O)NCc1cc(F)ccc1Br)c1nncn1C Cn1cnnc1[*:1] C[C@H](NC(=O)NCc1cc(F)ccc1Br)[*:1]
O=C(N[C@H]1CCN(c2ccccc2)C1=O)N1CCN(C(=O)c2ccoc2)CC1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1=O)[*:1])N1CCN(CC1)C(=O)c1ccoc1
O=C(N[C@H]1CCN(c2ccccc2)C1=O)N1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] O=C(N[C@H]1CCN(C1=O)c1ccccc1)N1CCN(CC1)C(=O)[*:1]
C/C(=N\NC(=O)c1ccc(C)o1)c1cccnc1 Cc1ccc(o1)[*:1] C/C(=N\NC(=O)[*:1])c1cccnc1
C/C(=N\NC(=O)c1ccc(C)o1)c1cccnc1 c1cncc(c1)[*:1] CC(=NNC(=O)c1ccc(C)o1)[*:1]
CC[C@H](OC(=O)[C@@H]1COCCO1)c1cc(C)ccc1OC C1CO[C@@H](CO1)[*:1] CC[C@H](OC(=O)[*:1])c1cc(C)ccc1OC
Cc1cccc(OC[C@@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1 Cc1cccc(c1)[*:1] Cc1ccc(C(=O)N[C@H](C)CO[*:1])c(=O)[nH]1
CCc1oc(C(=O)NC[C@](C)(O)c2ccc(F)cc2)cc1C Fc1ccc(cc1)[*:1] CCc1oc(cc1C)C(=O)NC[C@](C)(O)[*:1]
C=CCn1c(SCC(=O)c2ccc(O)cc2O)nc2ccccc21 Oc1ccc(c(O)c1)[*:1] C=CCn1c(nc2ccccc21)SCC(=O)[*:1]
C=CCn1c(SCC(=O)c2ccc(O)cc2O)nc2ccccc21 C=CC[*:1] O=C(CSc1nc2ccccc2n1[*:1])c1ccc(O)cc1O
Cc1cc(C(=O)N2CCC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)no1 CC(C)(C)[*:1] Cc1cc(no1)C(=O)N1CCC[NH+](CC1)Cc1ncc(o1)[*:1]
Cc1cc(C(=O)N2CCC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)no1 Cc1cc(no1)[*:1] CC(C)(C)c1cnc(C[NH+]2CCCN(CC2)C(=O)[*:1])o1
O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1cc(-c2ccccc2)on1 c1coc(c1)[*:1] O=C(Nc1cc(nn1-c1nc2CCCc2c(=O)[nH]1)[*:1])c1cc(on1)-c1ccccc1
O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(Nc1cc(nn1-c1nc2CCCc2c(=O)[nH]1)-c1ccco1)c1cc(on1)[*:1]
O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1cc(-c2ccccc2)on1 c1ccc(cc1)-c1cc(no1)[*:1] O=C(Nc1cc(nn1-c1nc2CCCc2c(=O)[nH]1)-c1ccco1)[*:1]
C[NH+](C)CCNc1ccc2nnc(C3CC3)n2n1 C1CC1[*:1] C[NH+](C)CCNc1ccc2nnc(n2n1)[*:1]
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=c1c2ccccc2nc(SC[*:1])n1Cc1ccccc1
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1C[*:1])N1CCCCCC1
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCCCCC1 c1ccc(cc1)C[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])N1CCCCCC1
CC(C)[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O CC(C)[C@@H](C)[*:1] O=C(Nc1cc(c[nH]c1=O)C(F)(F)F)N[*:1]
CC(C)[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O FC(F)(F)[*:1] CC(C)[C@@H](C)NC(=O)Nc1cc(c[nH]c1=O)[*:1]
CC(C)[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O CC(C)[*:1] C[C@@H](NC(=O)Nc1cc(c[nH]c1=O)C(F)(F)F)[*:1]
Cc1ccccc1-n1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)cn1 Cc1ccccc1[*:1] CC(C)(C)[C@H](NC(=O)c1cnn(c1)[*:1])C(N)=O
Cc1ccccc1-n1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)cn1 CC(C)(C)[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N[C@H](C(N)=O)[*:1]
Cc1ccccc1-n1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)cn1 NC(=O)[*:1] Cc1ccccc1-n1cc(cn1)C(=O)N[C@H](C(C)(C)C)[*:1]
C[C@H](Sc1nncn1C)C(=O)Nc1ccccc1SC(F)F Cn1cnnc1S[*:1] C[C@H](C(=O)Nc1ccccc1SC(F)F)[*:1]
C[C@H](Sc1nncn1C)C(=O)Nc1ccccc1SC(F)F FC(F)S[*:1] C[C@H](Sc1nncn1C)C(=O)Nc1ccccc1[*:1]
C[C@H](Sc1nncn1C)C(=O)Nc1ccccc1SC(F)F FC(F)[*:1] C[C@H](Sc1nncn1C)C(=O)Nc1ccccc1S[*:1]
C[C@H](Sc1nncn1C)C(=O)Nc1ccccc1SC(F)F Cn1cnnc1[*:1] C[C@H](S[*:1])C(=O)Nc1ccccc1SC(F)F
CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc2nc(C)oc2c1 CC[C@@H](C)[*:1] Cc1nc2ccc(cc2o1)NC(=O)[C@@H](NC(N)=O)[*:1]
CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc2nc(C)oc2c1 NC(=O)N[*:1] CC[C@@H](C)[C@H](C(=O)Nc1ccc2nc(C)oc2c1)[*:1]
C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N[C@H]1CCS(=O)(=O)C1 FC(F)(F)[*:1] C[C@H](Sc1nc(nc2ccccc12)[*:1])C(=O)N[C@H]1CCS(=O)(=O)C1
C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N[C@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@@H](C1)[*:1] C[C@H](Sc1nc(nc2ccccc12)C(F)(F)F)C(=O)N[*:1]
Cc1ccc(NC(=O)N(CCCn2cc[nH+]c2)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)N(CCCn1cc[nH+]c1)C[*:1]
Cc1ccc(NC(=O)N(CCCn2cc[nH+]c2)Cc2ccc(F)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])N(CCCn1cc[nH+]c1)Cc1ccc(F)cc1
Cc1ccc(NC(=O)N(CCCn2cc[nH+]c2)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] Cc1ccc(cc1)NC(=O)N(CCCn1cc[nH+]c1)[*:1]
CCOC(=O)COc1c(C)cc(Br)cc1[N+](=O)[O-] CCOC(=O)[*:1] Cc1cc(Br)cc(c1OC[*:1])[N+](=O)[O-]
CCOC(=O)COc1c(C)cc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOC(=O)COc1c(C)cc(Br)cc1[*:1]
CCOC(=O)COc1c(C)cc(Br)cc1[N+](=O)[O-] CCOC(=O)C[*:1] Cc1cc(Br)cc(c1O[*:1])[N+](=O)[O-]
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)C[*:1] CC(C)[C@H](C)NC(=O)C1CCN(CC1)C(=O)[*:1]
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Cc2ccc[nH]2)CC1 CC(C)[C@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)Cc1ccc[nH]1
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Cc2ccc[nH]2)CC1 c1c[nH]c(c1)[*:1] CC(C)[C@H](C)NC(=O)C1CCN(CC1)C(=O)C[*:1]
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Cc2ccc[nH]2)CC1 CC(C)[*:1] C[C@H](NC(=O)C1CCN(CC1)C(=O)Cc1ccc[nH]1)[*:1]
COc1ccc(-c2nnc3sc(Cc4c(C)noc4C)nn23)cc1 Cc1noc(C)c1[*:1] COc1ccc(cc1)-c1nnc2sc(C[*:1])nn12
COc1ccc(-c2nnc3sc(Cc4c(C)noc4C)nn23)cc1 Cc1noc(C)c1C[*:1] COc1ccc(cc1)-c1nnc2sc(nn12)[*:1]
COc1ccc(-c2nnc3sc(Cc4c(C)noc4C)nn23)cc1 COc1ccc(cc1)[*:1] Cc1noc(C)c1Cc1nn2c(nnc2s1)[*:1]
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccc(F)c(F)c1
COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(Cl)cc4)nc32)c1 NC(=O)[*:1] COc1cccc(c1)-n1c(=O)[nH]c2c(nc(nc21)-c1ccc(Cl)cc1)[*:1]
COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(Cl)cc4)nc32)c1 COc1cccc(c1)[*:1] NC(=O)c1nc(nc2c1[nH]c(=O)n2[*:1])-c1ccc(Cl)cc1
COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(Cl)cc4)nc32)c1 Clc1ccc(cc1)[*:1] COc1cccc(c1)-n1c(=O)[nH]c2c(nc(nc21)[*:1])C(N)=O
CC(C)(NC(=O)Nc1ccccc1)C(=O)N1CC[C@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)(NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](C1)C[*:1]
CC(C)(NC(=O)Nc1ccccc1)C(=O)N1CC[C@H](Cc2ccccc2)C1 c1ccc(cc1)C[*:1] CC(C)(NC(=O)Nc1ccccc1)C(=O)N1CC[C@H](C1)[*:1]
CC(C)(NC(=O)Nc1ccccc1)C(=O)N1CC[C@H](Cc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)(NC(=O)N[*:1])C(=O)N1CC[C@H](Cc2ccccc2)C1
NOc1ccc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] NOc1ccc(cc1Br)[*:1]
O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1c[nH]ccc1=O c1csc(c1)[*:1] O=C(Cc1ccc(cc1)NS(=O)(=O)[*:1])Nc1c[nH]ccc1=O
O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1c[nH]ccc1=O O=c1cc[nH]cc1[*:1] O=C(Cc1ccc(cc1)NS(=O)(=O)c1cccs1)N[*:1]
C[C@@H](Cl)CN(C)Cc1nc(C(C)(C)C)cs1 C[C@@H](Cl)[*:1] CN(Cc1nc(cs1)C(C)(C)C)C[*:1]
C[C@@H](Cl)CN(C)Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C[C@@H](Cl)CN(C)Cc1nc(cs1)[*:1]
C[C@@H](Cl)CN(C)Cc1nc(C(C)(C)C)cs1 C[C@@H](Cl)C[*:1] CN(Cc1nc(cs1)C(C)(C)C)[*:1]
N#C[C@]1(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CCSC1 O=C1NCCN1[*:1] N#C[C@@]1(CCSC1)NC(=O)c1ccc(Cl)c(c1)[*:1]
O=C1CCN(C(=O)c2ccnc(OC3CCC3)c2)c2ccccc2N1 C1CC(C1)[*:1] O=C1CCN(C(=O)c2ccnc(c2)O[*:1])c2ccccc2N1
O=C1CCN(C(=O)c2ccnc(OC3CCC3)c2)c2ccccc2N1 C1CC(C1)O[*:1] O=C1CCN(C(=O)c2ccnc(c2)[*:1])c2ccccc2N1
COc1ccc([C@@H]2CC(=O)N=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]2C#N)cc1OC COc1ccc(cc1OC)[*:1] N#C[C@@H]1C(=NC(=O)C[C@H]1[*:1])SCC(=O)Nc1cc(Cl)cc(Cl)c1
COc1ccc([C@@H]2CC(=O)N=C(SCC(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]2C#N)cc1OC Clc1cc(Cl)cc(c1)[*:1] COc1ccc(cc1OC)[C@@H]1CC(=O)N=C(SCC(=O)N[*:1])[C@H]1C#N
CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2sc(C)c(C)c2c1=O Cc1cccc(C)c1[*:1] CCn1c(nc2sc(C)c(C)c2c1=O)SCC(=O)N[*:1]
O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)N1CCSCC1 c1cc(ccn1)[*:1] O=C(NCc1cn(nc1[*:1])-c1ccccc1)N1CCSCC1
O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)N1CCSCC1 c1ccc(cc1)[*:1] O=C(NCc1cn(nc1-c1ccncc1)[*:1])N1CCSCC1
O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)N1CCSCC1 O=C(N[*:1])N1CCSCC1 c1ccc(cc1)-n1cc(C[*:1])c(n1)-c1ccncc1
Cc1ccc([C@H](C)NC(=O)CN2CCNC(=O)C2)cc1C O=C1CN(CCN1)[*:1] Cc1ccc(cc1C)[C@H](C)NC(=O)C[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)s1 FC(F)(F)[*:1] Cc1ccc(s1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)s1 Cc1ccc(s1)[*:1] O=C(N1CCC[C@@H](C1)C(F)(F)F)[*:1]
CCOC(=O)c1sc(NC(=O)c2ccccc2SC)nc1C CCOC(=O)[*:1] CSc1ccccc1C(=O)Nc1nc(C)c(s1)[*:1]
CC1=Nc2ncnn2[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)[C@H]1C(N)=O Fc1cccc(Cl)c1[*:1] CC1=Nc2ncnn2[C@H](c2ccc(cc2)OC[*:1])[C@H]1C(N)=O
CC1=Nc2ncnn2[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)[C@H]1C(N)=O Fc1cccc(Cl)c1C[*:1] CC1=Nc2ncnn2[C@H](c2ccc(cc2)O[*:1])[C@H]1C(N)=O
CC1=Nc2ncnn2[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)[C@H]1C(N)=O NC(=O)[*:1] CC1=Nc2ncnn2[C@H](c2ccc(cc2)OCc2c(F)cccc2Cl)[C@@H]1[*:1]
CC(C)[C@H](CC(F)(F)F)[C@@H](C)O C[C@@H](O)[*:1] CC(C)[C@H](CC(F)(F)F)[*:1]
CC(C)[C@H](CC(F)(F)F)[C@@H](C)O FC(F)(F)[*:1] CC(C)[C@H](C[*:1])[C@@H](C)O
CC(C)[C@H](CC(F)(F)F)[C@@H](C)O CC(C)[*:1] C[C@@H](O)[C@@H](CC(F)(F)F)[*:1]
Cc1cccc([C@H](C)n2cc(-c3ccc(C)c4ncccc34)nn2)n1 Cc1cccc(n1)[*:1] Cc1ccc(-c2cn(nn2)[C@@H](C)[*:1])c2cccnc12
CCCS(=O)(=O)/N=C(\[O-])c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCCS(=O)(=O)/N=C(\[O-])c1ccc(c(c1)[*:1])N1CCC(C)CC1
CCCS(=O)(=O)/N=C(\[O-])c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 CC1CCN(CC1)[*:1] CCCS(=O)(=O)/N=C(\[O-])c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCCS(=O)(=O)/N=C(\[O-])c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 CCC[*:1] CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])/C([O-])=N/S(=O)(=O)[*:1]
NC(=O)c1cnc2n1CCN(C(=O)c1nc(-c3ccccc3)cs1)C2 c1ccc(cc1)[*:1] NC(=O)c1cnc2CN(CCn12)C(=O)c1nc(cs1)[*:1]
NC(=O)c1cnc2n1CCN(C(=O)c1nc(-c3ccccc3)cs1)C2 NC(=O)[*:1] O=C(c1nc(cs1)-c1ccccc1)N1CCn2c(cnc2C1)[*:1]
COCCn1c(C)cc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1C COCC[*:1] Cc1cc(CN2C[C@@H](C)O[C@@H](C2)c2ccsc2)c(C)n1[*:1]
COCCn1c(C)cc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1C COC[*:1] Cc1cc(CN2C[C@@H](C)O[C@@H](C2)c2ccsc2)c(C)n1C[*:1]
COCCn1c(C)cc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1C c1cc(cs1)[*:1] COCCn1c(C)cc(CN2C[C@@H](C)O[C@H](C2)[*:1])c1C
O=C(c1cccnc1NCc1cccc(-n2cccn2)c1)N1CCCCC1 O=C(N1CCCCC1)[*:1] c1cc(cc(c1)-n1cccn1)CNc1ncccc1[*:1]
O=C(c1cccnc1NCc1cccc(-n2cccn2)c1)N1CCCCC1 c1cnn(c1)[*:1] O=C(c1cccnc1NCc1cccc(c1)[*:1])N1CCCCC1
CN(CCS(C)(=O)=O)c1cccc(C[NH2+]C(C)(C)C)n1 CS(=O)(=O)[*:1] CN(CC[*:1])c1cccc(C[NH2+]C(C)(C)C)n1
CN(CCS(C)(=O)=O)c1cccc(C[NH2+]C(C)(C)C)n1 CC(C)(C)[*:1] CN(CCS(C)(=O)=O)c1cccc(C[NH2+][*:1])n1
CN(CCS(C)(=O)=O)c1cccc(C[NH2+]C(C)(C)C)n1 CS(=O)(=O)C[*:1] CN(C[*:1])c1cccc(C[NH2+]C(C)(C)C)n1
CN(CCS(C)(=O)=O)c1cccc(C[NH2+]C(C)(C)C)n1 CS(=O)(=O)CC[*:1] CN(c1cccc(C[NH2+]C(C)(C)C)n1)[*:1]
COCc1nc(C)cc(N2CCC(n3cccc3C(=O)OC)CC2)n1 COC[*:1] COC(=O)c1cccn1C1CCN(CC1)c1cc(C)nc(n1)[*:1]
COCc1nc(C)cc(N2CCC(n3cccc3C(=O)OC)CC2)n1 COC(=O)[*:1] COCc1nc(C)cc(n1)N1CCC(CC1)n1cccc1[*:1]
CC1=C(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)[C@@H](C)N=N1 Fc1ccc(cc1)[*:1] CC1N=N[C@H](C)C=1C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@H]1[*:1]
C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 O=C(N1CCCCCC1)[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1
C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCN(C)[C@H]1[*:1]
CCCn1nccc1CNc1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)NCc1ccnn1[*:1]
C/C(CCc1cccc(C(F)(F)F)c1)=N/NC(=O)Cc1nc(C)cs1 Cc1csc(n1)[*:1] C/C(CCc1cccc(c1)C(F)(F)F)=N/NC(=O)C[*:1]
C/C(CCc1cccc(C(F)(F)F)c1)=N/NC(=O)Cc1nc(C)cs1 Cc1csc(C[*:1])n1 C/C(CCc1cccc(c1)C(F)(F)F)=N/NC(=O)[*:1]
C/C(CCc1cccc(C(F)(F)F)c1)=N/NC(=O)Cc1nc(C)cs1 FC(F)(F)[*:1] C/C(CCc1cccc(c1)[*:1])=N/NC(=O)Cc1nc(C)cs1
CC(C)[NH2+]Cc1cnc(-c2cncc(Br)c2)nc1 CC(C)[*:1] Brc1cncc(c1)-c1ncc(cn1)C[NH2+][*:1]
CCN(CC)c1ccc(C(=O)/N=c2\[nH]nc3cc(C)ccn23)cn1 CCN(CC)[*:1] Cc1ccn2/c(=N/C(=O)c3ccc(nc3)[*:1])[nH]nc2c1
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 c1ccc(cc1)[*:1] C[C@@H](Oc1ccc(cc1)[*:1])C(=O)Nc1nc(C#N)c(C#N)[n-]1
C=CCCCN(C)C(=O)Cc1c(C)noc1Cl C=CCCC[*:1] Cc1noc(Cl)c1CC(=O)N(C)[*:1]
C=CCCCN(C)C(=O)Cc1c(C)noc1Cl C=CCC[*:1] Cc1noc(Cl)c1CC(=O)N(C)C[*:1]
C=CCCCN(C)C(=O)Cc1c(C)noc1Cl C=CC[*:1] Cc1noc(Cl)c1CC(=O)N(C)CC[*:1]
O=C(CCN1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC[C@H](C2CC2)C1 C1CC1[*:1] O=C(CCN1CCN(CC1)c1cccc[nH+]1)N[C@@H]1CCC[C@H](C1)[*:1]
O=C(Nc1nccs1)N[C@@H](CCCO)c1ccccc1 OCC[*:1] O=C(Nc1nccs1)N[C@@H](C[*:1])c1ccccc1
O=C(Nc1nccs1)N[C@@H](CCCO)c1ccccc1 c1csc(n1)[*:1] O=C(N[C@@H](CCCO)c1ccccc1)N[*:1]
O=C(Nc1nccs1)N[C@@H](CCCO)c1ccccc1 OCCC[*:1] O=C(Nc1nccs1)N[C@@H](c1ccccc1)[*:1]
O=C(Nc1nccs1)N[C@@H](CCCO)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nccs1)N[C@@H](CCCO)[*:1]
O=C(NCC[NH+]1CCCCC1)Nc1cccc(-c2nccs2)c1 c1csc(n1)[*:1] O=C(NCC[NH+]1CCCCC1)Nc1cccc(c1)[*:1]
CC(C)N1C[C@@H](C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1=O CC(C)[*:1] C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(C1)[*:1])c1ccco1
CC(C)N1C[C@@H](C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1=O c1coc(c1)[*:1] CC(C)N1C[C@H](CC1=O)C(=O)NC[C@H]([NH+](C)C)[*:1]
Cc1nc2cc(/N=C/c3ccc([N+](=O)[O-])cc3)ccc2s1 O=[N+]([O-])[*:1] Cc1nc2cc(ccc2s1)/N=C/c1ccc(cc1)[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)CC[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N(CC1CC1)[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 C1CC1C[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N(CCC(F)(F)F)[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 C1CC1[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N(CCC(F)(F)F)C[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)C[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N(CC1CC1)C[*:1]
CS[C@H]1CCC[C@@H]1NC(=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)[*:1] CS[C@H]1CCC[C@@H]1NC(=O)N(CC[*:1])CC1CC1
O=S(=O)(c1ccc(SCc2ccccc2Cl)nc1)N1CCCC1 Clc1ccccc1[*:1] O=S(=O)(c1ccc(nc1)SC[*:1])N1CCCC1
N#Cc1cccc(Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1 O=[N+]([O-])[*:1] N#Cc1cccc(c1)Cn1cc(cc(C(N)=O)c1=O)[*:1]
N#Cc1cccc(Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1 NC(=O)[*:1] N#Cc1cccc(c1)Cn1cc(cc(c1=O)[*:1])[N+](=O)[O-]
CCn1nc(C)c(NC(=O)N[C@@H](c2ccccc2)[C@H]2C[C@@H]2C)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)N[C@@H]([C@H]2C[C@@H]2C)[*:1])c1C
Cc1ccc2c(c1)=[NH+][C@@H](CN(C)C(=O)[C@@H](C)n1cc[nH+]c1C(C)C)[NH+]=2 CC(C)[*:1] Cc1ccc2=[NH+][C@H](CN(C)C(=O)[C@@H](C)n3cc[nH+]c3[*:1])[NH+]=c2c1
CCC[NH2+][C@@H]([C@@H]1CCOC1)[C@@H]1CN(C)CCO1 CCC[*:1] CN1CCO[C@@H](C1)[C@@H]([NH2+][*:1])[C@@H]1CCOC1
CCC[NH2+][C@@H]([C@@H]1CCOC1)[C@@H]1CN(C)CCO1 C1C[C@H](CO1)[*:1] CCC[NH2+][C@@H]([C@@H]1CN(C)CCO1)[*:1]
Cc1c(NC(=O)N(C)CC(=O)Nc2ccccc2)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)N(C)CC(=O)N[*:1]
Cc1c(NC(=O)N(C)CC(=O)Nc2ccccc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)N(C)CC(=O)Nc1ccccc1
Cc1noc(C)c1S(=O)(=O)NCc1ccccc1Cn1cccn1 Cc1noc(C)c1[*:1] O=S(=O)(NCc1ccccc1Cn1cccn1)[*:1]
Cc1noc(C)c1S(=O)(=O)NCc1ccccc1Cn1cccn1 c1cnn(c1)[*:1] Cc1noc(C)c1S(=O)(=O)NCc1ccccc1C[*:1]
Cc1noc(C)c1S(=O)(=O)NCc1ccccc1Cn1cccn1 c1cnn(c1)C[*:1] Cc1noc(C)c1S(=O)(=O)NCc1ccccc1[*:1]
Cc1ccc(CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 Cc1ccc(cc1)C[*:1] C[C@@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)N[*:1]
Cc1ccc(CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1Cc2cc(ccc2N1S(C)(=O)=O)C(=O)NC[*:1]
Cc1nc(-c2cccc(Cl)c2)nc(NC2CC[NH2+]CC2)c1C Clc1cccc(c1)[*:1] Cc1nc(nc(NC2CC[NH2+]CC2)c1C)[*:1]
CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 c1ccc(cc1)[*:1] CSc1cccc(c1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 CSc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccccc1
O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cc(nc2ccccc12)-c1ccco1)N1CCCN(CC1)S(=O)(=O)[*:1]
O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 c1coc(c1)[*:1] O=C(c1cc(nc2ccccc12)[*:1])N1CCCN(CC1)S(=O)(=O)c1ccc(F)cc1
C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1OCC(=O)N[*:1]
Cc1cccc(-n2nc(CCc3ccccc3)nc2C(=O)Nc2nncs2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-n1nc(CC[*:1])nc1C(=O)Nc1nncs1
Cc1cccc(-n2nc(CCc3ccccc3)nc2C(=O)Nc2nncs2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)-n1nc(C[*:1])nc1C(=O)Nc1nncs1
Cc1cccc(-n2nc(CCc3ccccc3)nc2C(=O)Nc2nncs2)c1 O=C(Nc1nncs1)[*:1] Cc1cccc(c1)-n1nc(CCc2ccccc2)nc1[*:1]
Cc1cccc(-n2nc(CCc3ccccc3)nc2C(=O)Nc2nncs2)c1 c1nnc(s1)[*:1] Cc1cccc(c1)-n1nc(CCc2ccccc2)nc1C(=O)N[*:1]
Cc1cccc(-n2nc(CCc3ccccc3)nc2C(=O)Nc2nncs2)c1 c1ccc(cc1)CC[*:1] Cc1cccc(c1)-n1nc(nc1C(=O)Nc1nncs1)[*:1]
Cc1cccc(-n2nc(CCc3ccccc3)nc2C(=O)Nc2nncs2)c1 Cc1cccc(c1)[*:1] O=C(Nc1nncs1)c1nc(CCc2ccccc2)nn1[*:1]
Cc1cccc(C)c1NC(=O)C[NH+](CC(=O)Nc1c(C)cccc1C)C1CC1 Cc1cccc(C)c1[*:1] Cc1cccc(C)c1NC(=O)C[NH+](CC(=O)N[*:1])C1CC1
Cc1cccc([C@@H](O)c2ccccc2C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)[C@@H](O)c1ccccc1[*:1]
C=CCNC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 C=CC[*:1] O=C(C[NH+]1CCC(CC1)C(=O)c1ccc2OCCOc2c1)N[*:1]
C=CCNC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 C=CCNC(=O)C[*:1] O=C(c1ccc2OCCOc2c1)C1CC[NH+](CC1)[*:1]
C=CCNC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 C=CCNC(=O)[*:1] O=C(c1ccc2OCCOc2c1)C1CC[NH+](CC1)C[*:1]
O=C(CCn1cncn1)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] O=C(CCn1cncn1)Nc1cnc(s1)[*:1]
O=C(CCn1cncn1)Nc1cnc(-c2ccccc2)s1 c1ncn(n1)[*:1] O=C(CC[*:1])Nc1cnc(s1)-c1ccccc1
O=C(CCn1cncn1)Nc1cnc(-c2ccccc2)s1 c1ncn(C[*:1])n1 O=C(C[*:1])Nc1cnc(s1)-c1ccccc1
O=C(CCn1cncn1)Nc1cnc(-c2ccccc2)s1 c1ncn(CC[*:1])n1 O=C(Nc1cnc(s1)-c1ccccc1)[*:1]
Cc1ccc(C)c(OCCCCC(=O)N2CCc3nn(C)c(=O)cc3C2)c1 Cc1ccc(C)c(c1)O[*:1] Cn1nc2CCN(Cc2cc1=O)C(=O)CCCC[*:1]
Cc1ccc(C)c(OCCCCC(=O)N2CCc3nn(C)c(=O)cc3C2)c1 Cc1ccc(C)c(c1)[*:1] Cn1nc2CCN(Cc2cc1=O)C(=O)CCCCO[*:1]
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)s1 COc1ccc(cc1)[*:1] CCc1nnc([N-]S(=O)(=O)c2ccc(cc2)NC(=O)N[*:1])s1
CCCC(=O)NNC(=S)Nc1cc(C)cc(C)c1 CCC[*:1] Cc1cc(C)cc(c1)NC(=S)NNC(=O)[*:1]
CCN(CC(C)(C)O)c1ccc(N)c(OC)n1 CC(C)(O)C[*:1] CCN(c1ccc(N)c(n1)OC)[*:1]
CCN(CC(C)(C)O)c1ccc(N)c(OC)n1 CC(C)(O)[*:1] CCN(C[*:1])c1ccc(N)c(n1)OC
Cc1nn(-c2ccccc2)cc1C(=O)NCc1csc(=O)[nH]1 O=c1[nH]c(cs1)[*:1] Cc1nn(cc1C(=O)NC[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)cc1C(=O)NCc1csc(=O)[nH]1 c1ccc(cc1)[*:1] Cc1nn(cc1C(=O)NCc1csc(=O)[nH]1)[*:1]
Cc1nn(-c2ccccc2)cc1C(=O)NCc1csc(=O)[nH]1 O=c1[nH]c(cs1)C[*:1] Cc1nn(cc1C(=O)N[*:1])-c1ccccc1
CC(C)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CC(C)N(C)C(=O)c1ccc(cc1)OC[*:1]
CC(C)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] CC(C)N(C)C(=O)c1ccc(cc1)O[*:1]
CC(C)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 CC(C)[*:1] CN(C(=O)c1ccc(cc1)OC[C@@H]1CCCO1)[*:1]
C[NH2+]C[C@H]1CCN(C2CC2)[C@@H]1c1cccc(C2CC2)c1 C1CC1[*:1] C[NH2+]C[C@H]1CCN([C@@H]1c1cccc(c1)C1CC1)[*:1]
C[NH2+]C[C@H]1CCN(C2CC2)[C@@H]1c1cccc(C2CC2)c1 C1CC1[*:1] C[NH2+]C[C@H]1CCN(C2CC2)[C@@H]1c1cccc(c1)[*:1]
COc1ccc(C[NH+](CC(=O)[O-])C(C)(C)C)cc1C#N CC(C)(C)[*:1] COc1ccc(cc1C#N)C[NH+](CC(=O)[O-])[*:1]
COc1ccc(C[NH+](CC(=O)[O-])C(C)(C)C)cc1C#N O=C([O-])[*:1] COc1ccc(cc1C#N)C[NH+](C[*:1])C(C)(C)C
CC(=O)Nc1ccc(Nc2ncnc(NC[C@H]3CCCO3)c2[N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)Nc1ncnc(NC[C@H]2CCCO2)c1[*:1]
CC(=O)Nc1ccc(Nc2ncnc(NC[C@H]3CCCO3)c2[N+](=O)[O-])cc1 CC(=O)N[*:1] O=[N+]([O-])c1c(ncnc1Nc1ccc(cc1)[*:1])NC[C@H]1CCCO1
CC(C)[NH2+]Cc1cnn(Cc2nccs2)c1 c1csc(n1)[*:1] CC(C)[NH2+]Cc1cnn(c1)C[*:1]
CC(C)[NH2+]Cc1cnn(Cc2nccs2)c1 CC(C)[*:1] c1csc(Cn2cc(cn2)C[NH2+][*:1])n1
CC(C)[NH2+]Cc1cnn(Cc2nccs2)c1 CC(C)[NH2+]C[*:1] c1csc(Cn2cc(cn2)[*:1])n1
CCn1cc(C(=O)Oc2cccc([N+](=O)[O-])c2C)cn1 O=[N+]([O-])[*:1] CCn1cc(cn1)C(=O)Oc1cccc(c1C)[*:1]
CC[C@@H](C)CN(C)C(=O)NC(=O)CCC(=O)[O-] CC[C@@H](C)C[*:1] CN(C(=O)NC(=O)CCC(=O)[O-])[*:1]
CC[C@@H](C)CN(C)C(=O)NC(=O)CCC(=O)[O-] CC[C@@H](C)[*:1] CN(C[*:1])C(=O)NC(=O)CCC(=O)[O-]
CC[C@@H](C)CN(C)C(=O)NC(=O)CCC(=O)[O-] O=C([O-])C[*:1] CC[C@@H](C)CN(C)C(=O)NC(=O)C[*:1]
CC[C@@H](C)CN(C)C(=O)NC(=O)CCC(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)CN(C)C(=O)NC(=O)CC[*:1]
CC[C@@H](C)CN(C)C(=O)NC(=O)CCC(=O)[O-] O=C([O-])CC[*:1] CC[C@@H](C)CN(C)C(=O)NC(=O)[*:1]
COC[C@H](C)NC(=O)c1cc(C)c(C#CCO)s1 COC[*:1] Cc1cc(sc1C#CCO)C(=O)N[C@@H](C)[*:1]
COC[C@H](C)NC(=O)c1cc(C)c(C#CCO)s1 OCC#C[*:1] COC[C@H](C)NC(=O)c1cc(C)c(s1)[*:1]
COC[C@H](C)NC(=O)c1cc(C)c(C#CCO)s1 COC[C@H](C)[*:1] Cc1cc(sc1C#CCO)C(=O)N[*:1]
CC(C)N1CCO[C@@H]([C@H](O)c2cccs2)C1 c1csc(c1)[*:1] CC(C)N1CCO[C@H](C1)[C@H](O)[*:1]
CC(C)N1CCO[C@@H]([C@H](O)c2cccs2)C1 CC(C)[*:1] O[C@H](c1cccs1)[C@H]1CN(CCO1)[*:1]
Cc1cc(C)cc(/N=C2\NC(=O)[C@H](CC(=O)NCCc3ccccc3F)S2)c1 Fc1ccccc1C[*:1] Cc1cc(C)cc(c1)/N=C1\NC(=O)[C@H](CC(=O)NC[*:1])S1
Cc1cc(C)cc(/N=C2\NC(=O)[C@H](CC(=O)NCCc3ccccc3F)S2)c1 Cc1cc(C)cc(c1)[*:1] O=C(C[C@@H]1SC(=N[*:1])NC1=O)NCCc1ccccc1F
Cc1cc(C)cc(/N=C2\NC(=O)[C@H](CC(=O)NCCc3ccccc3F)S2)c1 Fc1ccccc1[*:1] Cc1cc(C)cc(c1)/N=C1\NC(=O)[C@H](CC(=O)NCC[*:1])S1
Cc1cc(C)cc(/N=C2\NC(=O)[C@H](CC(=O)NCCc3ccccc3F)S2)c1 Fc1ccccc1CC[*:1] Cc1cc(C)cc(c1)/N=C1\NC(=O)[C@H](CC(=O)N[*:1])S1
C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cnc[nH]2)CC1 c1ncc([nH]1)[*:1] C[C@@H](c1nc(no1)-c1ccccc1)N1CCN(CC1)C[*:1]
C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cnc[nH]2)CC1 c1ccc(cc1)[*:1] C[C@@H](c1nc(no1)[*:1])N1CCN(CC1)Cc1cnc[nH]1
C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2cnc[nH]2)CC1 c1ncc(C[*:1])[nH]1 C[C@@H](c1nc(no1)-c1ccccc1)N1CCN(CC1)[*:1]
O=C(NCCNS(=O)(=O)CC1CCC1)c1ccc(Cl)c(Cl)c1 C1CC(C1)C[*:1] O=C(NCCNS(=O)(=O)[*:1])c1ccc(Cl)c(Cl)c1
O=C(NCCNS(=O)(=O)CC1CCC1)c1ccc(Cl)c(Cl)c1 C1CC(C1)[*:1] O=C(NCCNS(=O)(=O)C[*:1])c1ccc(Cl)c(Cl)c1
CCCN(Cc1ccsc1)S(=O)(=O)c1cc(F)cc(F)c1 c1cc(cs1)C[*:1] CCCN(S(=O)(=O)c1cc(F)cc(F)c1)[*:1]
CCCN(Cc1ccsc1)S(=O)(=O)c1cc(F)cc(F)c1 c1cc(cs1)[*:1] CCCN(C[*:1])S(=O)(=O)c1cc(F)cc(F)c1
CCCN(Cc1ccsc1)S(=O)(=O)c1cc(F)cc(F)c1 CCC[*:1] O=S(=O)(c1cc(F)cc(F)c1)N(Cc1ccsc1)[*:1]
C[C@H](C#N)CNC(=O)Nc1ccccc1N(C)C C[C@H](C#N)C[*:1] CN(C)c1ccccc1NC(=O)N[*:1]
C[C@H](C#N)CNC(=O)Nc1ccccc1N(C)C CN(C)[*:1] C[C@H](C#N)CNC(=O)Nc1ccccc1[*:1]
C[C@H](C#N)CNC(=O)Nc1ccccc1N(C)C C[C@H](C#N)[*:1] CN(C)c1ccccc1NC(=O)NC[*:1]
Cc1cc(C)cc(C(=O)NCC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 CC(C)[*:1] Cc1cc(C)cc(c1)C(=O)NCC(=O)NC[C@H](N1CC[NH+](C)CC1)[*:1]
Cc1cc(C)cc(C(=O)NCC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 Cc1cc(C)cc(c1)[*:1] CC(C)[C@@H](CNC(=O)CNC(=O)[*:1])N1CC[NH+](C)CC1
CN(C)S(=O)(=O)c1cc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)ccc1Br c1csc(c1)C[*:1] CN(C)S(=O)(=O)c1cc(ccc1Br)C(=O)N(c1ccc(F)cc1)[*:1]
CN(C)S(=O)(=O)c1cc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)ccc1Br CN(C)S(=O)(=O)[*:1] O=C(c1ccc(Br)c(c1)[*:1])N(Cc1cccs1)c1ccc(F)cc1
CN(C)S(=O)(=O)c1cc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)ccc1Br Fc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1cc(ccc1Br)C(=O)N(Cc1cccs1)[*:1]
CN(C)S(=O)(=O)c1cc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)ccc1Br c1csc(c1)[*:1] CN(C)S(=O)(=O)c1cc(ccc1Br)C(=O)N(C[*:1])c1ccc(F)cc1
Cc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccccc1C(=O)NC[C@H](c1ccc(cc1)C(C)C)[*:1]
Cc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCOCC1 CC(C)c1ccc(cc1)[*:1] Cc1ccccc1C(=O)NC[C@H](N1CCOCC1)[*:1]
Cc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCOCC1 CC(C)[*:1] Cc1ccccc1C(=O)NC[C@H](c1ccc(cc1)[*:1])N1CCOCC1
Cc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCOCC1 Cc1ccccc1[*:1] CC(C)c1ccc(cc1)[C@@H](CNC(=O)[*:1])N1CCOCC1
N#Cc1ncn(Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)n1 N#Cc1ncn(n1)[*:1] Fc1cc2CO[C@@H](Oc2c(c1)C[*:1])c1ccccc1
N#Cc1ncn(Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)n1 N#Cc1ncn(C[*:1])n1 Fc1cc2CO[C@@H](Oc2c(c1)[*:1])c1ccccc1
N#Cc1ncn(Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)n1 c1ccc(cc1)[*:1] N#Cc1ncn(Cc2cc(F)cc3CO[C@H](Oc32)[*:1])n1
O=S(=O)(c1cccc(CSc2ccccc2Br)c1)N1CCOCC1 Brc1ccccc1S[*:1] O=S(=O)(c1cccc(c1)C[*:1])N1CCOCC1
O=S(=O)(c1cccc(CSc2ccccc2Br)c1)N1CCOCC1 Brc1ccccc1[*:1] O=S(=O)(c1cccc(c1)CS[*:1])N1CCOCC1
CCOCC(=O)NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 CCO[*:1] O=C(C[*:1])NNC(=O)[C@@H]1CCC[C@@H](C1)C(F)(F)F
CCOCC(=O)NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 CCOC[*:1] O=C(NNC(=O)[*:1])[C@@H]1CCC[C@@H](C1)C(F)(F)F
CCOCC(=O)NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 FC(F)(F)[*:1] CCOCC(=O)NNC(=O)[C@@H]1CCC[C@H](C1)[*:1]
NC(=O)c1ccccc1NC(=O)CNc1cccc(C(=O)N2CCCC2)c1 NC(=O)[*:1] O=C(CNc1cccc(c1)C(=O)N1CCCC1)Nc1ccccc1[*:1]
NC(=O)c1ccccc1NC(=O)CNc1cccc(C(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] NC(=O)c1ccccc1NC(=O)CNc1cccc(c1)[*:1]
NC(=O)c1ccccc1NC(=O)CNc1cccc(C(=O)N2CCCC2)c1 NC(=O)c1ccccc1[*:1] O=C(CNc1cccc(c1)C(=O)N1CCCC1)N[*:1]
CC(C)(CNC(=O)Nc1ccccc1)N1CCS(=O)CC1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)N[*:1])N1CCS(=O)CC1
CCC[C@H](CS)CSc1nnnn1C1CC1 C1CC1[*:1] CCC[C@H](CS)CSc1nnnn1[*:1]
CCC[C@H](CS)CSc1nnnn1C1CC1 CCC[*:1] SC[C@H](CSc1nnnn1C1CC1)[*:1]
CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CC[NH+](Cc1cc(C)c(OC)cc1C)C2 COc1cc(C)c(cc1C)[*:1] CCn1nc(C(=O)N2CCN(CC2)c2ccccc2)c2C[NH+](CCc21)C[*:1]
CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CC[NH+](Cc1cc(C)c(OC)cc1C)C2 c1ccc(cc1)[*:1] CCn1nc(C(=O)N2CCN(CC2)[*:1])c2C[NH+](CCc21)Cc1cc(C)c(cc1C)OC
Cc1ccc(C(=O)NCc2ccccc2)c(NN)c1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)NC[*:1])c(c1)NN
O=C1O[C@@H](N2CCN(Cc3ccccc3)CC2)c2ccccc21 c1ccc(cc1)C[*:1] O=C1O[C@H](c2ccccc21)N1CCN(CC1)[*:1]
O=C1O[C@@H](N2CCN(Cc3ccccc3)CC2)c2ccccc21 c1ccc(cc1)[*:1] O=C1O[C@H](c2ccccc21)N1CCN(CC1)C[*:1]
CCOC(=O)Nc1ccc2c(COc3ccccc3Cl)cc(=O)oc2c1 Clc1ccccc1[*:1] CCOC(=O)Nc1ccc2c(cc(=O)oc2c1)CO[*:1]
CCOC(=O)Nc1ccc2c(COc3ccccc3Cl)cc(=O)oc2c1 Clc1ccccc1O[*:1] CCOC(=O)Nc1ccc2c(cc(=O)oc2c1)C[*:1]
CCOC(=O)Nc1ccc2c(COc3ccccc3Cl)cc(=O)oc2c1 CCOC(=O)N[*:1] O=c1cc(COc2ccccc2Cl)c2ccc(cc2o1)[*:1]
C[C@H](Sc1nnc(COc2c(Cl)cccc2Cl)n1N)c1c(F)cccc1F Clc1cccc(Cl)c1[*:1] C[C@H](Sc1nnc(CO[*:1])n1N)c1c(F)cccc1F
C[C@H](Sc1nnc(COc2c(Cl)cccc2Cl)n1N)c1c(F)cccc1F Clc1cccc(Cl)c1O[*:1] C[C@H](Sc1nnc(C[*:1])n1N)c1c(F)cccc1F
C[C@H](Sc1nnc(COc2c(Cl)cccc2Cl)n1N)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@H](Sc1nnc(COc2c(Cl)cccc2Cl)n1N)[*:1]
C#CC1(OC[C@@H](O)C[NH2+]C(C)C)CCCCC1 CC(C)[*:1] C#CC1(CCCCC1)OC[C@@H](O)C[NH2+][*:1]
Cc1ccc([C@@H]2/C(=C(\O)c3ccncc3)C(=O)C(=O)N2CCC[NH+](C)C)o1 c1cc(ccn1)[*:1] Cc1ccc(o1)[C@@H]1/C(C(=O)C(=O)N1CCC[NH+](C)C)=C(\O)[*:1]
Cc1ccc([C@@H]2/C(=C(\O)c3ccncc3)C(=O)C(=O)N2CCC[NH+](C)C)o1 Cc1ccc(o1)[*:1] C[NH+](C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)[C@H]1[*:1]
O=C(OCCOCC(F)(F)F)c1ccc2c(c1)OCO2 FC(F)(F)C[*:1] O=C(OCCO[*:1])c1ccc2OCOc2c1
O=C(OCCOCC(F)(F)F)c1ccc2c(c1)OCO2 FC(F)(F)CO[*:1] O=C(OCC[*:1])c1ccc2OCOc2c1
O=C(OCCOCC(F)(F)F)c1ccc2c(c1)OCO2 FC(F)(F)[*:1] O=C(OCCOC[*:1])c1ccc2OCOc2c1
C[C@@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc2c(c1)OCCO2 Fc1ccccc1[*:1] C[C@@H](NC(=O)CNC(=O)[*:1])c1ccc2OCCOc2c1
COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3ccccc3s2)cc1 COc1ccc(cc1)[*:1] O=C(CCCS(=O)(=O)[*:1])Nc1nc2ccccc2s1
COCCCCCn1c(Cl)cccc1=O COCC[*:1] O=c1cccc(Cl)n1CCC[*:1]
COCCCCCn1c(Cl)cccc1=O COC[*:1] O=c1cccc(Cl)n1CCCC[*:1]
COCCCCCn1c(Cl)cccc1=O COCCC[*:1] O=c1cccc(Cl)n1CC[*:1]
c1ccc(-c2nnc(CN3CCCSc4ccccc43)o2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)SCCCN2Cc1nnc(o1)[*:1]
CCOc1cc2c(cc1Cn1nc(-c3ccco3)oc1=O)O[C@@H](C)C2 c1coc(c1)[*:1] CCOc1cc2C[C@H](C)Oc2cc1Cn1nc(oc1=O)[*:1]
CCOc1cc2c(cc1Cn1nc(-c3ccco3)oc1=O)O[C@@H](C)C2 CCO[*:1] C[C@H]1Cc2cc(c(cc2O1)Cn1nc(oc1=O)-c1ccco1)[*:1]
COCCCN1COc2c(cc3c(c2C)O/C(=C\c2cc(OC)ccc2OC)C3=O)C1 COc1ccc(OC)c(c1)[*:1] COCCCN1COc2c(cc3C(=O)C(=C[*:1])Oc3c2C)C1
COCCCN1COc2c(cc3c(c2C)O/C(=C\c2cc(OC)ccc2OC)C3=O)C1 COC[*:1] COc1ccc(OC)c(/C=C2\Oc3c(cc4CN(CC[*:1])COc4c3C)C2=O)c1
COCCCN1COc2c(cc3c(c2C)O/C(=C\c2cc(OC)ccc2OC)C3=O)C1 COCC[*:1] COc1ccc(OC)c(/C=C2\Oc3c(cc4CN(COc4c3C)C[*:1])C2=O)c1
COCCCN1COc2c(cc3c(c2C)O/C(=C\c2cc(OC)ccc2OC)C3=O)C1 COCCC[*:1] COc1ccc(OC)c(/C=C2\Oc3c(cc4CN(COc4c3C)[*:1])C2=O)c1
CCOC(=O)[C@H](C)NC(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2 Cc1ccc(cc1)[*:1] CCOC(=O)[C@H](C)NC(=O)c1nc(n2CCCCCc12)[*:1]
CCOC(=O)[C@H](C)NC(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2 CCOC(=O)[*:1] Cc1ccc(cc1)-c1nc(C(=O)N[C@@H](C)[*:1])c2CCCCCn12
COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 COC(=O)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)N1CCC[C@H]1[*:1]
COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 O=[N+]([O-])[*:1] COC(=O)[C@@H]1CCCN1C(=O)c1ccc(c(C)c1)[*:1]
CCC(CC)[NH+](C)CC(=O)Nc1cccc(NC(C)=O)c1 CC(=O)N[*:1] CCC(CC)[NH+](C)CC(=O)Nc1cccc(c1)[*:1]
CCO[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 CCO[C@@H](C)[*:1] C[C@@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)[*:1]
CCO[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 CCO[*:1] C[C@@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)[C@H](C)[*:1]
CCO[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 C[S@](=O)[*:1] CCO[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc(cc1)[*:1]
CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 CCCOC(=O)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1[*:1])c1ccccn1
CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 CCC[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)O[*:1])c1ccccn1
CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 c1ccc(nc1)[*:1] CCCOC(=O)C1=C(C)NC2CC(C)(C)CC(=O)C=2[C@@H]1[*:1]
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCN1CCOCC1 C1CN(CCO1)CC[*:1] CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[*:1]
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCN1CCOCC1 C1CN(CCO1)[*:1] CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC[*:1]
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccccc3)C2)n1 c1ccc(cc1)[*:1] Cc1cccc(n1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccccc3)C2)n1 Cc1cccc(n1)[*:1] C[C@H](NC(=O)N1CCC[C@H](C1)C(=O)N[*:1])c1ccccc1
Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccccc3)C2)n1 C[C@@H](c1ccccc1)[*:1] Cc1cccc(n1)NC(=O)[C@@H]1CCCN(C1)C(=O)N[*:1]
COc1ccc(C(=O)N[C@@H](C)Cc2ccccc2)cc1O c1ccc(cc1)[*:1] COc1ccc(cc1O)C(=O)N[C@@H](C)C[*:1]
COc1ccc(C(=O)N[C@@H](C)Cc2ccccc2)cc1O c1ccc(cc1)C[*:1] COc1ccc(cc1O)C(=O)N[C@@H](C)[*:1]
C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cnc(-c2cccnc2)s1 Oc1ccc(cc1)[*:1] C[C@H](CC[*:1])[NH2+]Cc1cnc(s1)-c1cccnc1
C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cnc(-c2cccnc2)s1 c1cncc(c1)[*:1] C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cnc(s1)[*:1]
C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cnc(-c2cccnc2)s1 Oc1ccc(cc1)C[*:1] C[C@H](C[*:1])[NH2+]Cc1cnc(s1)-c1cccnc1
O=C([O-])[C@H]([NH2+]C1CCCC1)c1c[nH+]cn1C1CC1 O=C([O-])[*:1] c1[nH+]cn(c1[C@@H]([NH2+]C1CCCC1)[*:1])C1CC1
O=C([O-])[C@H]([NH2+]C1CCCC1)c1c[nH+]cn1C1CC1 C1CCC(C1)[NH2+][*:1] O=C([O-])[C@H](c1c[nH+]cn1C1CC1)[*:1]
O=C([O-])[C@H]([NH2+]C1CCCC1)c1c[nH+]cn1C1CC1 C1CCC(C1)[*:1] O=C([O-])[C@H]([NH2+][*:1])c1c[nH+]cn1C1CC1
O=C([O-])[C@H]([NH2+]C1CCCC1)c1c[nH+]cn1C1CC1 C1CC1[*:1] O=C([O-])[C@H]([NH2+]C1CCCC1)c1c[nH+]cn1[*:1]
C=C(C)COc1cccc(NC(=O)NC2CCC(O)CC2)c1 OC1CCC(CC1)[*:1] C=C(C)COc1cccc(c1)NC(=O)N[*:1]
C=C(C)COc1cccc(NC(=O)NC2CCC(O)CC2)c1 C=C(C)C[*:1] O=C(Nc1cccc(c1)O[*:1])NC1CCC(O)CC1
C=C(C)COc1cccc(NC(=O)NC2CCC(O)CC2)c1 C=C(C)CO[*:1] O=C(Nc1cccc(c1)[*:1])NC1CCC(O)CC1
C=C(C)COc1cccc(NC(=O)NC2CCC(O)CC2)c1 C=C(C)[*:1] O=C(Nc1cccc(c1)OC[*:1])NC1CCC(O)CC1
Cn1c(N2CCOCC2)nnc1[S@](=O)Cc1ccccc1F Fc1ccccc1[*:1] Cn1c(nnc1[S@](=O)C[*:1])N1CCOCC1
Cn1c(N2CCOCC2)nnc1[S@](=O)Cc1ccccc1F C1CN(CCO1)[*:1] Cn1c(nnc1[*:1])[S@](=O)Cc1ccccc1F
CCc1ccc(C(=O)Cc2ccc([N+](=O)[O-])cc2)o1 O=[N+]([O-])[*:1] CCc1ccc(o1)C(=O)Cc1ccc(cc1)[*:1]
CCC(=O)N1CCC(Nc2cccc(N3CCOC3=O)c2C)CC1 O=C1OCCN1[*:1] CCC(=O)N1CCC(CC1)Nc1cccc(c1C)[*:1]
C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](N[C@@H]1CCCN(C1=O)[*:1])c1ccccc1
C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](N[C@@H]1CCCN(C[*:1])C1=O)c1ccccc1
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)c1 CO[C@H](C)[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])N1CCC[C@@H]1CCc1ccccc1
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)c1 CO[C@H](C)C(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC[C@@H]1CCc1ccccc1
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)c1 c1ccc(cc1)C[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)NC(=O)N1CCC[C@@H]1C[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)c1 c1ccc(cc1)CC[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)NC(=O)N1CCC[C@H]1[*:1]
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)c1 c1ccc(cc1)[*:1] CO[C@H](C)C(=O)Nc1cccc(c1)NC(=O)N1CCC[C@@H]1CC[*:1]
C=CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1C(F)(F)F C=CCNC(=O)[*:1] C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)[*:1]
C=CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1C(F)(F)F FC(F)(F)[*:1] C=CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1[*:1]
C=CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1C(F)(F)F C=CC[*:1] C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)N[*:1]
CCOc1cc(C#N)ccc1OC(=O)Cc1cn2ccsc2n1 CCO[*:1] N#Cc1ccc(OC(=O)Cc2cn3ccsc3n2)c(c1)[*:1]
CC[NH2+][C@@H](C[C@H](C)CC)C1([NH+](C)C)CCCC1 CC[C@@H](C)C[*:1] CC[NH2+][C@@H](C1(CCCC1)[NH+](C)C)[*:1]
CC[NH2+][C@@H](C[C@H](C)CC)C1([NH+](C)C)CCCC1 CC[C@@H](C)[*:1] CC[NH2+][C@@H](C[*:1])C1(CCCC1)[NH+](C)C
C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccccc1C#N N#Cc1ccccc1[*:1] C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc12)C(=O)N[*:1]
COC(=O)[C@]1(N)CC[C@@H](SCc2ccco2)C1 c1coc(c1)[*:1] COC(=O)[C@]1(N)CC[C@H](C1)SC[*:1]
COC(=O)[C@]1(N)CC[C@@H](SCc2ccco2)C1 COC(=O)[*:1] N[C@@]1(CC[C@H](C1)SCc1ccco1)[*:1]
Cc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] FC(F)(F)[*:1] Cc1cc(ccc1[N+](=O)[O-])[N-]S(=O)(=O)c1ccccc1[*:1]
Cc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])[N-]S(=O)(=O)c1ccccc1C(F)(F)F
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)c2ccncc2F)cc1 c1cc(ccn1)[*:1] CN(C(=O)[*:1])c1ccc(cc1)CNC(=O)c1ccncc1F
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)c2ccncc2F)cc1 Fc1cnccc1[*:1] CN(C(=O)c1ccncc1)c1ccc(cc1)CNC(=O)[*:1]
C[C@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(F)cc4)cc3)C(=O)[C@@H]2C1 Fc1ccc(cc1)[*:1] C[C@H]1CC[C@@H]2C(=O)N(C(=O)[C@@H]2C1)c1ccc(cc1)C(=O)N[*:1]
Cc1nc(C[NH+]2CCN(Cc3c[nH]nc3C)CC2)no1 Cc1nc(no1)[*:1] Cc1n[nH]cc1CN1CC[NH+](CC1)C[*:1]
Cc1nc(C[NH+]2CCN(Cc3c[nH]nc3C)CC2)no1 Cc1n[nH]cc1[*:1] Cc1nc(C[NH+]2CCN(CC2)C[*:1])no1
O=S(=O)(c1ccc2c(c1)CCCC2)N(CCc1cccs1)C1CC1 c1csc(c1)[*:1] O=S(=O)(c1ccc2CCCCc2c1)N(CC[*:1])C1CC1
O=S(=O)(c1ccc2c(c1)CCCC2)N(CCc1cccs1)C1CC1 c1csc(c1)CC[*:1] O=S(=O)(c1ccc2CCCCc2c1)N(C1CC1)[*:1]
O=S(=O)(c1ccc2c(c1)CCCC2)N(CCc1cccs1)C1CC1 C1CC1[*:1] O=S(=O)(c1ccc2CCCCc2c1)N(CCc1cccs1)[*:1]
O=S(=O)(c1ccc2c(c1)CCCC2)N(CCc1cccs1)C1CC1 c1csc(c1)C[*:1] O=S(=O)(c1ccc2CCCCc2c1)N(C[*:1])C1CC1
Cc1nc(NC(=O)CN2C(=O)NC(C)(C)C2=O)sc1Cc1ccc2c(c1)OCO2 CC1(C)NC(=O)N(C1=O)[*:1] Cc1nc(NC(=O)C[*:1])sc1Cc1ccc2OCOc2c1
Cc1nc(NC(=O)CN2C(=O)NC(C)(C)C2=O)sc1Cc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] Cc1nc(NC(=O)CN2C(=O)NC(C)(C)C2=O)sc1C[*:1]
Cc1cccc2cc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)c(=O)[nH]c12 O=[N+]([O-])[*:1] Cc1cccc2cc(-c3noc(n3)-c3cccc(c3)[*:1])c(=O)[nH]c12
O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(Nc2ncccn2)c1 Fc1ccc(cc1)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1cccc(c1)Nc1ncccn1
O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(Nc2ncccn2)c1 c1cnc(nc1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(F)cc1)c1cccc(c1)N[*:1]
O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(Nc2ncccn2)c1 c1cnc(nc1)N[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(F)cc1)c1cccc(c1)[*:1]
O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(Nc2ncccn2)c1 Fc1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1cccc(c1)Nc1ncccn1
CCC[C@@]1(C)NC(=O)N(CCC#N)C1=O N#CC[*:1] CCC[C@@]1(C)NC(=O)N(C[*:1])C1=O
CCC[C@@]1(C)NC(=O)N(CCC#N)C1=O N#CCC[*:1] CCC[C@@]1(C)NC(=O)N(C1=O)[*:1]
CCC[C@@]1(C)NC(=O)N(CCC#N)C1=O CCC[*:1] C[C@]1(NC(=O)N(CCC#N)C1=O)[*:1]
COc1cc(C)c([C@H](C)NC(=O)c2cccnc2N2CCCC2)cc1OC C1CCN(C1)[*:1] COc1cc(C)c(cc1OC)[C@H](C)NC(=O)c1cccnc1[*:1]
CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)[O-])c2C(N)=O)C1 O=C([O-])[*:1] CCC[C@H]1CCc2c(C1)sc(NC(=O)[C@@H]1[C@@H]3CC[C@@H](O3)[C@H]1[*:1])c2C(N)=O
CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)[O-])c2C(N)=O)C1 NC(=O)[*:1] CCC[C@H]1CCc2c(C1)sc(NC(=O)[C@@H]1[C@@H]3CC[C@@H](O3)[C@@H]1C(=O)[O-])c2[*:1]
CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C(=O)[O-])c2C(N)=O)C1 CCC[*:1] NC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)[O-])sc2C[C@H](CCc21)[*:1]
[NH3+][C@]1(C(=O)[O-])CC[C@@H](Sc2cc3ccccc3[nH]2)C1 O=C([O-])[*:1] [NH3+][C@@]1(CC[C@H](C1)Sc1cc2ccccc2[nH]1)[*:1]
CCOC(=O)c1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1 CCOC(=O)[*:1] Cc1oc2cc(O)ccc2c(=O)c1Oc1ccc(cc1)[*:1]
O[C@@H](c1ccccc1)[C@]1(O)Cc2ccccc2C2=[NH+]CCN21 c1ccc(cc1)[*:1] O[C@@H]([C@]1(O)Cc2ccccc2C2=[NH+]CCN21)[*:1]
CC(C)CC[NH+]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 CC(C)[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N1CC[NH+](CC1)CC[*:1]
CC(C)CC[NH+]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 CC(C)CC[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N1CC[NH+](CC1)[*:1]
CC(C)CC[NH+]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 c1cc(cc[nH+]1)[*:1] CC(C)CC[NH+]1CCN(CC1)C(=O)NCC1CCN(CC1)[*:1]
CC(C)CC[NH+]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 CC(C)C[*:1] O=C(NCC1CCN(CC1)c1cc[nH+]cc1)N1CC[NH+](CC1)C[*:1]
CCc1cn[nH]c1[C@@H]1CCCN(C(=O)C2(c3ccc(C)cc3)CC2)C1 Cc1ccc(cc1)[*:1] CCc1cn[nH]c1[C@@H]1CCCN(C1)C(=O)C1(CC1)[*:1]
CCc1cn[nH]c1[C@@H]1CCCN(C(=O)C2(c3ccc(C)cc3)CC2)C1 CCc1cn[nH]c1[*:1] Cc1ccc(cc1)C1(CC1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1cc(N2CCOC[C@H]2C(=O)[O-])ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N1CCOC[C@H]1C(=O)[O-]
Cc1cc(N2CCOC[C@H]2C(=O)[O-])ncc1[N+](=O)[O-] O=C([O-])[*:1] Cc1cc(ncc1[N+](=O)[O-])N1CCOC[C@@H]1[*:1]
c1coc(-c2nc(CN[C@@H]3CCC[NH2+]C3)no2)c1 c1coc(c1)[*:1] C1C[NH2+]C[C@@H](C1)NCc1noc(n1)[*:1]
CCSCC[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] CCSCC[*:1] Cc1cnc(N[C@@H](C)[*:1])c(c1)[N+](=O)[O-]
CCSCC[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] CCSC[*:1] Cc1cnc(N[C@@H](C)C[*:1])c(c1)[N+](=O)[O-]
CCSCC[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] CCS[*:1] Cc1cnc(N[C@@H](C)CC[*:1])c(c1)[N+](=O)[O-]
CCSCC[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCSCC[C@H](C)Nc1ncc(C)cc1[*:1]
COc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] COc1ccc(cc1[N+](=O)[O-])C(=O)NCC1(CCOCC1)[*:1]
COc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccc(cc1[*:1])C(=O)NCC1(CCOCC1)c1ccccc1
CCC(=O)N1CCC[C@@H](C(=O)O[C@H](CC)c2cccc(OC)c2)C1 COc1cccc(c1)[*:1] CCC(=O)N1CCC[C@H](C1)C(=O)O[C@H](CC)[*:1]
CCCc1nnc2sc(-c3cccc(NC(=O)c4cc5ccccc5o4)c3)nn12 CCC[*:1] O=C(Nc1cccc(c1)-c1nn2c(nnc2s1)[*:1])c1cc2ccccc2o1
CCCc1nnc2sc(-c3cccc(NC(=O)c4cc5ccccc5o4)c3)nn12 c1ccc2oc(cc2c1)[*:1] CCCc1nnc2sc(nn12)-c1cccc(c1)NC(=O)[*:1]
COC[C@H]([NH3+])[C@H]1CCCOC1 COC[*:1] [NH3+][C@H]([C@H]1CCCOC1)[*:1]
COc1ccc2nc(NC[C@H]3CC[C@H](C(N)=O)O3)c(C)cc2c1 NC(=O)[*:1] COc1ccc2nc(NC[C@H]3CC[C@H](O3)[*:1])c(C)cc2c1
CN1C[C@@H](C(=O)N2CCC[C@H]2c2ccccc2)CC1=O c1ccc(cc1)[*:1] CN1C[C@H](CC1=O)C(=O)N1CCC[C@@H]1[*:1]
CC(C)C[C@H](CNC(=O)Nc1cc(F)ccc1F)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)Nc1cc(F)ccc1F)[*:1]
CC(C)C[C@H](CNC(=O)Nc1cc(F)ccc1F)C(=O)[O-] CC(C)[*:1] O=C(NC[C@@H](C[*:1])C(=O)[O-])Nc1cc(F)ccc1F
CC(C)C[C@H](CNC(=O)Nc1cc(F)ccc1F)C(=O)[O-] CC(C)C[*:1] O=C(NC[C@H](C(=O)[O-])[*:1])Nc1cc(F)ccc1F
Fc1ccc(Cn2nnnc2CN2CCC[C@H](c3[nH]ncc3-c3ccncc3)C2)cc1 Fc1ccc(cc1)[*:1] c1cc(ccn1)-c1cn[nH]c1[C@H]1CCCN(Cc2nnnn2C[*:1])C1
Fc1ccc(Cn2nnnc2CN2CCC[C@H](c3[nH]ncc3-c3ccncc3)C2)cc1 c1cc(ccn1)[*:1] Fc1ccc(cc1)Cn1nnnc1CN1CCC[C@@H](C1)c1[nH]ncc1[*:1]
Fc1ccc(Cn2nnnc2CN2CCC[C@H](c3[nH]ncc3-c3ccncc3)C2)cc1 Fc1ccc(cc1)C[*:1] c1cc(ccn1)-c1cn[nH]c1[C@H]1CCCN(Cc2nnnn2[*:1])C1
C[C@H]1CN(C(=O)c2cccc(OC(F)(F)F)c2)C(C)(C)CO1 FC(F)(F)O[*:1] C[C@H]1CN(C(=O)c2cccc(c2)[*:1])C(C)(C)CO1
C[C@H]1CN(C(=O)c2cccc(OC(F)(F)F)c2)C(C)(C)CO1 FC(F)(F)[*:1] C[C@H]1CN(C(=O)c2cccc(c2)O[*:1])C(C)(C)CO1
CCCNc1cc(CCC)nc([C@@H]2CN(C)CCO2)n1 CCCN[*:1] CCCc1cc(nc(n1)[C@@H]1CN(C)CCO1)[*:1]
CCCNc1cc(CCC)nc([C@@H]2CN(C)CCO2)n1 CCC[*:1] CCCNc1cc(nc(n1)[C@@H]1CN(C)CCO1)[*:1]
CCCNc1cc(CCC)nc([C@@H]2CN(C)CCO2)n1 CCC[*:1] CCCc1cc(nc(n1)[C@@H]1CN(C)CCO1)N[*:1]
CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[S@@](=O)Cc2ccccc2F)cc1 CCc1ccc(cc1)[*:1] C[C@H](C(=O)N[C@H](C)[*:1])[S@@](=O)Cc1ccccc1F
CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[S@@](=O)Cc2ccccc2F)cc1 Fc1ccccc1[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)[C@@H](C)[S@@](=O)C[*:1]
CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[S@@](=O)Cc2ccccc2F)cc1 Fc1ccccc1C[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)[C@@H](C)[S@@](=O)[*:1]
N#Cc1ccc(Cl)c(NC(=O)NCc2n[nH]c(=S)n2C2CC2)c1 C1CC1[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)NCc1n[nH]c(=S)n1[*:1]
CN(CC(C)(C)O)C(=O)c1ncccc1[O-] CC(C)(O)[*:1] CN(C[*:1])C(=O)c1ncccc1[O-]
CN(CC(C)(C)O)C(=O)c1ncccc1[O-] CC(C)(O)C[*:1] CN(C(=O)c1ncccc1[O-])[*:1]
O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O FC(F)(F)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O FC(F)(F)c1ccc(cc1)[*:1] O=C(NCC[*:1])c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
C=CCn1c([O-])c(C(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)c(C#N)c1=O Fc1ccc(cc1)[*:1] C=CCn1c([O-])c(C(=O)[C@@H](C)O[*:1])c(C)c(C#N)c1=O
C=CCn1c([O-])c(C(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)c(C#N)c1=O C=CC[*:1] Cc1c(C(=O)[C@@H](C)Oc2ccc(F)cc2)c([O-])n(c(=O)c1C#N)[*:1]
C=CCn1c([O-])c(C(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)c(C#N)c1=O Fc1ccc(cc1)O[*:1] C=CCn1c([O-])c(C(=O)[C@@H](C)[*:1])c(C)c(C#N)c1=O
O=C(NNC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NNC(=O)c1cc2CCCCCc2s1)C(=O)N[*:1]
CS(=O)(=O)CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 CS(=O)(=O)[*:1] O=[N+]([O-])c1cc(ccc1Br)CN(CC[*:1])C1CC1
CS(=O)(=O)CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 O=[N+]([O-])[*:1] CS(=O)(=O)CCN(Cc1ccc(Br)c(c1)[*:1])C1CC1
CS(=O)(=O)CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 C1CC1[*:1] CS(=O)(=O)CCN(Cc1ccc(Br)c(c1)[N+](=O)[O-])[*:1]
CS(=O)(=O)CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 CS(=O)(=O)C[*:1] O=[N+]([O-])c1cc(ccc1Br)CN(C[*:1])C1CC1
CS(=O)(=O)CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 CS(=O)(=O)CC[*:1] O=[N+]([O-])c1cc(ccc1Br)CN(C1CC1)[*:1]
Cn1cnc(CNC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 Cn1cnc(C[*:1])n1 O=C(c1ccc(F)cc1)[C@@H]1CCCN(C1)C(=O)N[*:1]
Cn1cnc(CNC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 Fc1ccc(cc1)[*:1] Cn1cnc(CNC(=O)N2CCC[C@H](C2)C(=O)[*:1])n1
Cn1cnc(CNC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 Cn1cnc(n1)[*:1] O=C(c1ccc(F)cc1)[C@@H]1CCCN(C1)C(=O)NC[*:1]
CCn1nccc1C(=O)Nc1sc2c(c1C(=O)OC)CCC2 CCn1nccc1[*:1] COC(=O)c1c(NC(=O)[*:1])sc2CCCc21
CCn1nccc1C(=O)Nc1sc2c(c1C(=O)OC)CCC2 COC(=O)[*:1] CCn1nccc1C(=O)Nc1sc2CCCc2c1[*:1]
CC[C@H]1CN(C(=O)NCC2(CC)CC2)C[C@H](C)O1 CCC1(CC1)[*:1] CC[C@H]1CN(C[C@H](C)O1)C(=O)NC[*:1]
CC[C@H]1CN(C(=O)NCC2(CC)CC2)C[C@H](C)O1 CCC1(CC1)C[*:1] CC[C@H]1CN(C[C@H](C)O1)C(=O)N[*:1]
COc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1Cl O=[N+]([O-])[*:1] COc1c(cc(c(Cl)c1Cl)[*:1])[N+](=O)[O-]
COc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1Cl O=[N+]([O-])[*:1] COc1c(cc(c(Cl)c1Cl)[N+](=O)[O-])[*:1]
CC[NH2+][C@H](c1ccco1)C(C)(C)[NH+]1CCCC1 c1coc(c1)[*:1] CC[NH2+][C@H](C(C)(C)[NH+]1CCCC1)[*:1]
C=CCOc1ccccc1CNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 C=CCO[*:1] O=C(NCc1ccccc1[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
C=CCOc1ccccc1CNC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2 C=CC[*:1] O=C(NCc1ccccc1O[*:1])[C@]12CC[C@H](C[C@@H]1Br)C2
COc1cccc(C(=O)N[C@H](C)c2ccncc2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)C(=O)N[C@H](C)[*:1]
C[C@@H](CCCO)Nc1ccc(Cl)c(C(=O)[O-])n1 O=C([O-])[*:1] C[C@@H](CCCO)Nc1ccc(Cl)c(n1)[*:1]
C[C@@H](CCCO)Nc1ccc(Cl)c(C(=O)[O-])n1 OCCC[*:1] C[C@@H](Nc1ccc(Cl)c(n1)C(=O)[O-])[*:1]
C[C@@H](CCCO)Nc1ccc(Cl)c(C(=O)[O-])n1 OCC[*:1] C[C@@H](C[*:1])Nc1ccc(Cl)c(n1)C(=O)[O-]
O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CCCN1C(=O)C1CC1 C1CO[C@@H](C1)CO[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN1C(=O)C1CC1
O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CCCN1C(=O)C1CC1 C1CO[C@@H](C1)[*:1] O=C(Nc1cccc(c1)OC[*:1])[C@H]1CCCN1C(=O)C1CC1
O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CCCN1C(=O)C1CC1 C1CO[C@@H](C1)C[*:1] O=C(Nc1cccc(c1)O[*:1])[C@H]1CCCN1C(=O)C1CC1
O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CCCN1C(=O)C1CC1 C1CC1[*:1] O=C(Nc1cccc(c1)OC[C@@H]1CCCO1)[C@H]1CCCN1C(=O)[*:1]
O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 c1ccc(cc1)[*:1] O=C(Nc1ccc(Cl)cc1)Nc1ccc2CCN(C(=O)[*:1])c2c1
O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 Clc1ccc(cc1)[*:1] O=C(Nc1ccc2CCN(C(=O)c3ccccc3)c2c1)N[*:1]
Cc1csc(C2(NS(=O)(=O)c3ccc(C)c(F)c3)CCCC2)n1 Cc1csc(n1)[*:1] Cc1ccc(cc1F)S(=O)(=O)NC1(CCCC1)[*:1]
C[NH+](Cc1c[nH]nc1-c1cccs1)CC1CCCC1 C1CCC(C1)C[*:1] C[NH+](Cc1c[nH]nc1-c1cccs1)[*:1]
C[NH+](Cc1c[nH]nc1-c1cccs1)CC1CCCC1 c1csc(c1)[*:1] C[NH+](Cc1c[nH]nc1[*:1])CC1CCCC1
C[NH+](Cc1c[nH]nc1-c1cccs1)CC1CCCC1 C1CCC(C1)[*:1] C[NH+](Cc1c[nH]nc1-c1cccs1)C[*:1]
S=c1oc(-c2cc(-c3ccccn3)nc3ccccc23)nn1CN1CCOCC1 c1ccc(nc1)[*:1] S=c1oc(nn1CN1CCOCC1)-c1cc(nc2ccccc12)[*:1]
S=c1oc(-c2cc(-c3ccccn3)nc3ccccc23)nn1CN1CCOCC1 C1CN(CCO1)[*:1] S=c1oc(nn1C[*:1])-c1cc(nc2ccccc12)-c1ccccn1
S=c1oc(-c2cc(-c3ccccn3)nc3ccccc23)nn1CN1CCOCC1 C1CN(CCO1)C[*:1] S=c1oc(nn1[*:1])-c1cc(nc2ccccc12)-c1ccccn1
CCc1cnc(CCNC(=O)c2ccc(Br)s2)s1 Brc1ccc(s1)[*:1] CCc1cnc(CCNC(=O)[*:1])s1
O=C1CN(Cc2cc(-c3ccco3)on2)CCN1 c1coc(c1)[*:1] O=C1CN(CCN1)Cc1cc(on1)[*:1]
CCc1cc(N2CC[C@@H]([NH3+])C2)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] CCc1cc(nc(n1)[*:1])N1CC[C@@H]([NH3+])C1
CCc1cc(N2CC[C@@H]([NH3+])C2)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] CCc1cc(nc(n1)N[*:1])N1CC[C@@H]([NH3+])C1
O=C(CCN1CCCC1=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F O=C1CCCN1[*:1] O=C(CC[*:1])N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F
O=C(CCN1CCCC1=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(CCN1CCCC1=O)N[C@H]1CCCc2c1cnn2[*:1]
O=C(CCN1CCCC1=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F O=C1CCCN1C[*:1] O=C(C[*:1])N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F
O=C(CCN1CCCC1=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F O=C1CCCN1CC[*:1] O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[*:1]
CN(Cc1nccs1)C(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O c1ccc(cc1)[*:1] CN(Cc1nccs1)C(=O)[C@@H](C[*:1])S(C)(=O)=O
CN(Cc1nccs1)C(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O c1ccc(cc1)C[*:1] CN(Cc1nccs1)C(=O)[C@@H](S(C)(=O)=O)[*:1]
CN(Cc1nccs1)C(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O CS(=O)(=O)[*:1] CN(Cc1nccs1)C(=O)[C@@H](Cc1ccccc1)[*:1]
CN(Cc1nccs1)C(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O c1csc(C[*:1])n1 CN(C(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O)[*:1]
CN(Cc1nccs1)C(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O c1csc(n1)[*:1] CN(C[*:1])C(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O
CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1 FC(F)(F)[*:1] CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(c1)[*:1])c1ccc(F)cc1
CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)[*:1]
C[C@@H]1CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1CC(=O)C2=C(C1)Nc1nonc1N[C@H]2[*:1]
CCN(CC1CC[NH2+]CC1)C(=O)c1c[nH]c(=O)[nH]1 O=c1[nH]cc([nH]1)[*:1] CCN(CC1CC[NH2+]CC1)C(=O)[*:1]
COc1ccc([C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])c2[nH+]ccn2C)cc1 NC(=O)[*:1] COc1ccc(cc1)[C@H](Nc1ccc(cc1[N+](=O)[O-])[*:1])c1[nH+]ccn1C
COc1ccc([C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])c2[nH+]ccn2C)cc1 COc1ccc(cc1)[*:1] Cn1cc[nH+]c1[C@@H](Nc1ccc(cc1[N+](=O)[O-])C(N)=O)[*:1]
COc1ccc([C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])c2[nH+]ccn2C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@H](Nc1ccc(cc1[*:1])C(N)=O)c1[nH+]ccn1C
COc1ccc(CN2C(=O)/C(=C\N[C@H]3CCCc4ccccc43)c3ccccc3C2=O)cc1 COc1ccc(cc1)C[*:1] O=C1/C(=C\N[C@H]2CCCc3ccccc32)c2ccccc2C(=O)N1[*:1]
COc1ccc(CN2C(=O)/C(=C\N[C@H]3CCCc4ccccc43)c3ccccc3C2=O)cc1 COc1ccc(cc1)[*:1] O=C1/C(=C\N[C@H]2CCCc3ccccc32)c2ccccc2C(=O)N1C[*:1]
CCOC(=O)c1cc2ccc(OC(=O)C=C(C)C)cc2oc1=O CCOC(=O)[*:1] CC(C)=CC(=O)Oc1ccc2cc(c(=O)oc2c1)[*:1]
CCOC(=O)c1cc2ccc(OC(=O)C=C(C)C)cc2oc1=O CC(C)=CC(=O)O[*:1] CCOC(=O)c1cc2ccc(cc2oc1=O)[*:1]
CCOC(=O)c1cc2ccc(OC(=O)C=C(C)C)cc2oc1=O CC(C)=C[*:1] CCOC(=O)c1cc2ccc(cc2oc1=O)OC(=O)[*:1]
CCCc1cc(NC(=O)c2sc(C)nc2C)n(C)n1 CCC[*:1] Cc1nc(C)c(s1)C(=O)Nc1cc(nn1C)[*:1]
CC(C)c1nnc(NC(=O)/C=C/c2ccc3c(c2)OCO3)s1 CC(C)[*:1] O=C(/C=C/c1ccc2OCOc2c1)Nc1nnc(s1)[*:1]
C[C@@H]1CC[C@@H](C)N(C(=O)CNC(=O)OCc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)CNC(=O)OC[*:1]
C[C@@H]1CC[C@@H](C)N(C(=O)CNC(=O)OCc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@@H]1CC[C@@H](C)N(C1)C(=O)CNC(=O)O[*:1]
CCCCC[C@H](C)CC(=O)Nc1nonc1C CCCC[*:1] Cc1nonc1NC(=O)C[C@@H](C)C[*:1]
CCCCC[C@H](C)CC(=O)Nc1nonc1C CCCCC[*:1] Cc1nonc1NC(=O)C[C@@H](C)[*:1]
CCCCC[C@H](C)CC(=O)Nc1nonc1C CCC[*:1] Cc1nonc1NC(=O)C[C@@H](C)CC[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 Clc1ccc(cc1)C[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC1CC[NH+](CC1)[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 Clc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC1CC[NH+](CC1)C[*:1]
CC(C)(C)OC(=O)N1CCC(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 CC(C)(C)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccc(Cl)cc1)C1CCN(CC1)C(=O)O[*:1]
CC(C)[C@@H](O)CCNS(=O)(=O)c1ccccc1 CC(C)[*:1] O=S(=O)(NCC[C@H](O)[*:1])c1ccccc1
CC(C)[C@@H](O)CCNS(=O)(=O)c1ccccc1 CC(C)[C@@H](O)[*:1] O=S(=O)(NCC[*:1])c1ccccc1
CCOC(=O)Cc1nnc2c(Nc3ccccc3)nc3nonc3n12 c1ccc(cc1)[*:1] CCOC(=O)Cc1nnc2c(nc3nonc3n12)N[*:1]
CCOC(=O)Cc1nnc2c(Nc3ccccc3)nc3nonc3n12 CCOC(=O)[*:1] c1ccc(cc1)Nc1nc2nonc2n2c(C[*:1])nnc12
CCOC(=O)Cc1nnc2c(Nc3ccccc3)nc3nonc3n12 CCOC(=O)C[*:1] c1ccc(cc1)Nc1nc2nonc2n2c(nnc12)[*:1]
CCOC(=O)Cc1nnc2c(Nc3ccccc3)nc3nonc3n12 c1ccc(cc1)N[*:1] CCOC(=O)Cc1nnc2c(nc3nonc3n12)[*:1]
CCC(CC)(NC(=O)c1cc(C)ccc1OC)C(=O)[O-] O=C([O-])[*:1] CCC(CC)(NC(=O)c1cc(C)ccc1OC)[*:1]
Cc1occc1COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 Cc1occc1C[*:1] O=C(O[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
Cc1occc1COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 c1coc(c1)[*:1] Cc1occc1COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[*:1]
Cc1occc1COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 Cc1occc1[*:1] O=C(OC[*:1])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
C[C@H]1CCC[C@@H](N(C)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)NC[C@@H]1CCN(C1)[*:1]
BrCc1ccc(OC[C@@H]2CCOC2)cn1 C1C[C@H](CO1)[*:1] BrCc1ccc(cn1)OC[*:1]
COc1ccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)cc1OC Cc1cc(C)cc(c1)[*:1] COc1ccc(cc1OC)NC(=O)CNC(=O)[*:1]
COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1ccccc1Cl)c(=O)n2C Clc1ccccc1[*:1] COC(=O)c1cc(nc2c1c(=O)n(CC(=O)N[*:1])c(=O)n2C)C1CC1
COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1ccccc1Cl)c(=O)n2C C1CC1[*:1] COC(=O)c1cc(nc2c1c(=O)n(CC(=O)Nc1ccccc1Cl)c(=O)n2C)[*:1]
COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1ccccc1Cl)c(=O)n2C O=C(Nc1ccccc1Cl)[*:1] COC(=O)c1cc(nc2c1c(=O)n(C[*:1])c(=O)n2C)C1CC1
COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1ccccc1Cl)c(=O)n2C COC(=O)[*:1] Cn1c(=O)n(CC(=O)Nc2ccccc2Cl)c(=O)c2c(cc(nc21)C1CC1)[*:1]
C#CCOc1ccc(N(C)C(=O)c2cc(OC)c(OC)cc2C)cc1 C#CC[*:1] COc1cc(C)c(cc1OC)C(=O)N(C)c1ccc(cc1)O[*:1]
C#CCOc1ccc(N(C)C(=O)c2cc(OC)c(OC)cc2C)cc1 C#CCO[*:1] COc1cc(C)c(cc1OC)C(=O)N(C)c1ccc(cc1)[*:1]
Brc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3cccnc3)n2)cc1 C(=N/N[*:1])\c1cccnc1 Brc1ccc(cc1)-c1cc(nc(n1)[*:1])-c1ccccc1
Brc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3cccnc3)n2)cc1 c1ccc(cc1)[*:1] Brc1ccc(cc1)-c1cc(nc(n1)N/N=C/c1cccnc1)[*:1]
Brc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3cccnc3)n2)cc1 c1cncc(c1)[*:1] Brc1ccc(cc1)-c1cc(nc(n1)NN=C[*:1])-c1ccccc1
Brc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3cccnc3)n2)cc1 Brc1ccc(cc1)[*:1] C(=N/Nc1nc(cc(n1)[*:1])-c1ccccc1)\c1cccnc1
CN(c1ccc(NC(=O)Cc2ccccc2F)cc1)C1CC[NH+](C)CC1 Fc1ccccc1[*:1] CN(c1ccc(cc1)NC(=O)C[*:1])C1CC[NH+](C)CC1
CN(c1ccc(NC(=O)Cc2ccccc2F)cc1)C1CC[NH+](C)CC1 Fc1ccccc1C[*:1] CN(c1ccc(cc1)NC(=O)[*:1])C1CC[NH+](C)CC1
COc1ccc(C(=O)N2C[C@H](C(=O)NC3CC3)[C@H](c3ccc(OC)cc3OC)C2)cc1 O=C(NC1CC1)[*:1] COc1ccc(cc1)C(=O)N1C[C@@H](c2ccc(cc2OC)OC)[C@@H](C1)[*:1]
COc1ccc(C(=O)N2C[C@H](C(=O)NC3CC3)[C@H](c3ccc(OC)cc3OC)C2)cc1 COc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CN(C[C@@H]1C(=O)NC1CC1)C(=O)[*:1]
COc1ccc(C(=O)N2C[C@H](C(=O)NC3CC3)[C@H](c3ccc(OC)cc3OC)C2)cc1 C1CC1[*:1] COc1ccc(cc1)C(=O)N1C[C@H](C(=O)N[*:1])[C@@H](C1)c1ccc(cc1OC)OC
COc1ccc(C(=O)N2C[C@H](C(=O)NC3CC3)[C@H](c3ccc(OC)cc3OC)C2)cc1 COc1ccc(c(c1)OC)[*:1] COc1ccc(cc1)C(=O)N1C[C@H](C(=O)NC2CC2)[C@H](C1)[*:1]
CN(Cc1ccccc1)c1ccccc1NC(=O)/C=C/c1cscn1 c1nc(cs1)[*:1] CN(Cc1ccccc1)c1ccccc1NC(=O)C=C[*:1]
CN(Cc1ccccc1)c1ccccc1NC(=O)/C=C/c1cscn1 c1ccc(cc1)C[*:1] CN(c1ccccc1NC(=O)/C=C/c1cscn1)[*:1]
CN(Cc1ccccc1)c1ccccc1NC(=O)/C=C/c1cscn1 c1ccc(cc1)[*:1] CN(C[*:1])c1ccccc1NC(=O)/C=C/c1cscn1
CC(C)[C@H](NC(=O)CN1C(=O)CSc2ccccc21)c1nc2ccccc2[nH]1 CC(C)[*:1] O=C(CN1C(=O)CSc2ccccc21)N[C@H](c1nc2ccccc2[nH]1)[*:1]
CC(C)[C@H](NC(=O)CN1C(=O)CSc2ccccc21)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)[C@H](NC(=O)CN1C(=O)CSc2ccccc21)[*:1]
CCC(C)(C)NC(=O)[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 CCC(C)(C)[*:1] C[C@H]([NH2+]CC1(CCOCC1)c1cccc(Cl)c1)C(=O)N[*:1]
CCC(C)(C)NC(=O)[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 Clc1cccc(c1)[*:1] CCC(C)(C)NC(=O)[C@H](C)[NH2+]CC1(CCOCC1)[*:1]
CCC(C)(C)NC(=O)[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 CCC(C)(C)NC(=O)[*:1] C[C@H]([NH2+]CC1(CCOCC1)c1cccc(Cl)c1)[*:1]
CC[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1OC)C(C)C CC(C)[*:1] CC[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1OC)[*:1]
CC[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1OC)C(C)C CC[C@@H](C(C)C)[*:1] COc1ccccc1[C@H](C#N)NC(=O)C[*:1]
CC[C@@H](CC(=O)N[C@@H](C#N)c1ccccc1OC)C(C)C CC[C@@H](C[*:1])C(C)C COc1ccccc1[C@H](C#N)NC(=O)[*:1]
C=CCOC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 C=CCOC(=O)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(Br)cc1
C=CCOC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 C=CC[*:1] CN(CC(=O)O[*:1])S(=O)(=O)c1ccc(Br)cc1
C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C[C@@H]1O c1coc(c1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)n2)cc1 COc1ccc(cc1)[*:1] O=C([C@@H]1CCCN(C1)c1nc(no1)[*:1])N1CCN(CC1)c1ccccc1F
COc1ccc(-c2noc(N3CCC[C@@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)n2)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)-c1noc(n1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
CC[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)c(c1)[*:1]
CCOC(=O)[C@]1(NC)CC[C@@H](Oc2ccc(C)cc2)C1 CCOC(=O)[*:1] CN[C@@]1(CC[C@H](C1)Oc1ccc(C)cc1)[*:1]
C=CCc1c(C)nc(C)nc1N/N=C\c1ccc([N+](=O)[O-])cc1 C=CC[*:1] Cc1nc(C)c(c(n1)N/N=C\c1ccc(cc1)[N+](=O)[O-])[*:1]
C=CCc1c(C)nc(C)nc1N/N=C\c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C=CCc1c(C)nc(C)nc1N/N=C\c1ccc(cc1)[*:1]
Cc1ccccc1[C@H](CC(=O)N(C)[C@H](C)c1ccccc1F)NC(N)=O NC(=O)N[*:1] Cc1ccccc1[C@H](CC(=O)N(C)[C@H](C)c1ccccc1F)[*:1]
Cc1ccccc1[C@H](CC(=O)N(C)[C@H](C)c1ccccc1F)NC(N)=O Cc1ccccc1[*:1] C[C@H](c1ccccc1F)N(C)C(=O)C[C@H](NC(N)=O)[*:1]
Cc1ccccc1[C@H](CC(=O)N(C)[C@H](C)c1ccccc1F)NC(N)=O Fc1ccccc1[*:1] Cc1ccccc1[C@H](CC(=O)N(C)[C@H](C)[*:1])NC(N)=O
CC(=O)c1ccc(-c2ccnc(Cl)n2)cc1 CC(=O)[*:1] Clc1nccc(n1)-c1ccc(cc1)[*:1]
COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)NCc3ccco3)[C@@H]3C=C[C@H]2C3)c(OC)c1 c1coc(c1)[*:1] COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)NC[*:1])[C@@H]3C=C[C@H]2C3)c(c1)OC
COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)NCc3ccco3)[C@@H]3C=C[C@H]2C3)c(OC)c1 c1coc(c1)C[*:1] COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)N[*:1])[C@@H]3C=C[C@H]2C3)c(c1)OC
COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)NCc3ccco3)[C@@H]3C=C[C@H]2C3)c(OC)c1 O=C(NCc1ccco1)[*:1] COc1ccc(NC(=O)[C@@H]2[C@@H]([C@@H]3C=C[C@H]2C3)[*:1])c(c1)OC
C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CN3CCOCC3)CC2)[C@@H]1C C1CN(CCO1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CC2)C[*:1])[C@@H]1C
C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CN3CCOCC3)CC2)[C@@H]1C C1CN(CCO1)C[*:1] C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CC2)[*:1])[C@@H]1C
O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)NC(=O)NC1CCCCC1 c1ccc(cc1)[*:1] O=C(CSc1nc2nn(c(=O)c-2c2CCCCCn12)[*:1])NC(=O)NC1CCCCC1
O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2CCCCCn12)NC(=O)N[*:1]
CC(C)CNC(=O)CNC(=O)c1ccc2ccc(Cl)cc2n1 CC(C)C[*:1] O=C(CNC(=O)c1ccc2ccc(Cl)cc2n1)N[*:1]
CC(C)CNC(=O)CNC(=O)c1ccc2ccc(Cl)cc2n1 CC(C)[*:1] O=C(CNC(=O)c1ccc2ccc(Cl)cc2n1)NC[*:1]
CC(C)CNC(=O)CNC(=O)c1ccc2ccc(Cl)cc2n1 CC(C)CNC(=O)[*:1] O=C(NC[*:1])c1ccc2ccc(Cl)cc2n1
COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)c(OC)c1 O=C(Nc1ccc(F)cc1)[*:1] COc1ccc(c(c1)OC)[C@H]1C2C(=O)CCCC=2NC(C)=C1[*:1]
COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)c(OC)c1 Fc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@@H]1C(C(=O)N[*:1])=C(C)NC2CCCC(=O)C=21
COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)c(OC)c1 COc1ccc(c(c1)OC)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)Nc1ccc(F)cc1)[*:1]
O=C(C[C@@H](O)c1ccccc1)NC1CC1 C1CC1[*:1] O=C(C[C@@H](O)c1ccccc1)N[*:1]
CCOC(=O)c1[nH]c2ccccc2c1C(=O)OCC CCOC(=O)[*:1] CCOC(=O)c1[nH]c2ccccc2c1[*:1]
CCOC(=O)c1[nH]c2ccccc2c1C(=O)OCC CCOC(=O)[*:1] CCOC(=O)c1c([nH]c2ccccc12)[*:1]
CC(C)c1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 CC(C)c1ccc(cc1)[*:1] O=C(c1cnc2ccc(F)cc2c1NC[*:1])N1CCCC1
CC(C)c1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 CC(C)[*:1] O=C(c1cnc2ccc(F)cc2c1NCc1ccc(cc1)[*:1])N1CCCC1
CC(C)c1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 O=C(N1CCCC1)[*:1] CC(C)c1ccc(cc1)CNc1c(cnc2ccc(F)cc12)[*:1]
CCOc1ncccc1-c1ncnc2scc(C)c12 CCO[*:1] Cc1csc2ncnc(-c3cccnc3[*:1])c12
Cc1cc(-c2csc(NC(=O)CSc3nnnn3C)n2)c(C)o1 Cn1nnnc1[*:1] Cc1cc(-c2csc(n2)NC(=O)CS[*:1])c(C)o1
Cc1cc(-c2csc(NC(=O)CSc3nnnn3C)n2)c(C)o1 Cn1nnnc1S[*:1] Cc1cc(-c2csc(n2)NC(=O)C[*:1])c(C)o1
Cc1cc(-c2csc(NC(=O)CSc3nnnn3C)n2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cn1nnnc1SCC(=O)Nc1nc(cs1)[*:1]
Cc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(C)c1ccccc12 Cc1ccccc1[*:1] CN1c2ccccc2C2OC(N)=C(C#N)[C@H](C=2S1(=O)=O)[*:1]
COC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2N1 COC(=O)[*:1] O=C(CN1C(=O)C=C(C[*:1])Nc2ccccc21)NCc1ccc2OCOc2c1
COC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2N1 c1cc2OCOc2cc1[*:1] COC(=O)CC1=CC(=O)N(CC(=O)NC[*:1])c2ccccc2N1
COC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2N1 COC(=O)C[*:1] O=C(CN1C(=O)C=C(Nc2ccccc21)[*:1])NCc1ccc2OCOc2c1
COC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2N1 c1cc2OCOc2cc1C[*:1] COC(=O)CC1=CC(=O)N(CC(=O)N[*:1])c2ccccc2N1
O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1CN1CCOCC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)[*:1])c1ccccc1CN1CCOCC1
O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1CN1CCOCC1 C1CN(CCO1)[*:1] O=C(c1ccc(cc1)C(F)(F)F)c1ccccc1C[*:1]
O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1CN1CCOCC1 C1CN(CCO1)C[*:1] O=C(c1ccc(cc1)C(F)(F)F)c1ccccc1[*:1]
Cc1ccccc1[C@@H](CC(=O)NCCc1ccc2c(c1)CCO2)NC(N)=O c1cc2OCCc2cc1[*:1] Cc1ccccc1[C@@H](CC(=O)NCC[*:1])NC(N)=O
Cc1ccccc1[C@@H](CC(=O)NCCc1ccc2c(c1)CCO2)NC(N)=O Cc1ccccc1[*:1] NC(=O)N[C@H](CC(=O)NCCc1ccc2OCCc2c1)[*:1]
Cc1ccccc1[C@@H](CC(=O)NCCc1ccc2c(c1)CCO2)NC(N)=O NC(=O)N[*:1] Cc1ccccc1[C@@H](CC(=O)NCCc1ccc2OCCc2c1)[*:1]
COc1ccc(Cc2nnc(C3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)s2)cc1 COc1ccc(cc1)[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(CC1)c1nnc(C[*:1])s1
COc1ccc(Cc2nnc(C3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)s2)cc1 COc1ccc(cc1)C[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(CC1)c1nnc(s1)[*:1]
COc1ccc(Cc2nnc(C3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)s2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)Cc1nnc(s1)C1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
COc1ccc(Cc2nnc(C3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)s2)cc1 O=[N+]([O-])c1ccccc1[*:1] COc1ccc(cc1)Cc1nnc(s1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1nc2cc(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)ccc2n(Cc2ccccc2)c1=O Fc1ccccc1[*:1] Cc1nc2cc(ccc2n(Cc2ccccc2)c1=O)C(=O)NCC1CC[NH+](CC1)C[*:1]
Cc1nc2cc(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)ccc2n(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] Cc1nc2cc(ccc2n(c1=O)[*:1])C(=O)NCC1CC[NH+](CC1)Cc1ccccc1F
Cc1nc2cc(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)ccc2n(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] Cc1nc2cc(ccc2n(C[*:1])c1=O)C(=O)NCC1CC[NH+](CC1)Cc1ccccc1F
CC(C)CNC(=O)c1ccc(NC(=O)C2CC=CC2)cc1Cl CC(C)CNC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])C1CC=CC1
CC(C)CNC(=O)c1ccc(NC(=O)C2CC=CC2)cc1Cl CC(C)C[*:1] O=C(N[*:1])c1ccc(cc1Cl)NC(=O)C1CC=CC1
CC(C)CNC(=O)c1ccc(NC(=O)C2CC=CC2)cc1Cl CC(C)[*:1] O=C(NC[*:1])c1ccc(cc1Cl)NC(=O)C1CC=CC1
CC[C@H]1CN(C)c2ccccc2CN1Cn1cc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CC[C@H]1CN(C)c2ccccc2CN1Cn1cc(cn1)[*:1]
CC[C@@H](C)NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O CC[C@@H](C)[*:1] COc1cccc(c1)N(CC(=O)N[*:1])S(C)(=O)=O
CC[C@@H](C)NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O CC[C@@H](C)NC(=O)[*:1] COc1cccc(c1)N(C[*:1])S(C)(=O)=O
CN(CC[NH2+][C@H]1CC(C)(C)OC1(C)C)S(=O)(=O)c1cccs1 c1csc(c1)[*:1] CN(CC[NH2+][C@H]1CC(C)(C)OC1(C)C)S(=O)(=O)[*:1]
CCOC(=O)C1(C)CCN(C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 CC(C)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)NC[C@H](c1cccnc1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 CCOC(=O)[*:1] CC(C)[C@H](CNC(=O)N1CCC(C)(CC1)[*:1])c1cccnc1
CCOC(=O)C1(C)CCN(C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 c1cncc(c1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)NC[C@H](C(C)C)[*:1]
CC[C@@H](NCc1cc[nH+]c(N2CCCC2)c1)c1cc(C)ccc1OC C1CCN(C1)[*:1] CC[C@@H](NCc1cc[nH+]c(c1)[*:1])c1cc(C)ccc1OC
CCS(=O)(=O)CCC[C@@H](O)C1([NH+](C)C)CCCCCC1 CCS(=O)(=O)C[*:1] C[NH+](C)C1(CCCCCC1)[C@H](O)CC[*:1]
CCS(=O)(=O)CCC[C@@H](O)C1([NH+](C)C)CCCCCC1 CCS(=O)(=O)[*:1] C[NH+](C)C1(CCCCCC1)[C@H](O)CCC[*:1]
COC(=O)[C@H](C)c1ccc(Cl)c(OC)c1 COC(=O)[*:1] COc1cc(ccc1Cl)[C@@H](C)[*:1]
C[C@@](O)(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccsc1 FC(F)(F)O[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)[*:1])c1ccsc1
C[C@@](O)(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccsc1 FC(F)(F)[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)O[*:1])c1ccsc1
C[C@@](O)(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccsc1 c1cc(cs1)[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)OC(F)(F)F)[*:1]
COc1cccc(CNc2ncc(-c3ccncc3)c(-c3ccco3)n2)c1 c1cc(ccn1)[*:1] COc1cccc(c1)CNc1ncc(c(n1)-c1ccco1)[*:1]
COc1cccc(CNc2ncc(-c3ccncc3)c(-c3ccco3)n2)c1 c1coc(c1)[*:1] COc1cccc(c1)CNc1ncc(-c2ccncc2)c(n1)[*:1]
COc1cccc(CNc2ncc(-c3ccncc3)c(-c3ccco3)n2)c1 COc1cccc(c1)C[*:1] c1coc(c1)-c1nc(ncc1-c1ccncc1)N[*:1]
COc1cccc(CNc2ncc(-c3ccncc3)c(-c3ccco3)n2)c1 COc1cccc(c1)[*:1] c1coc(c1)-c1nc(ncc1-c1ccncc1)NC[*:1]
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 COCC[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N(Cc1ccc(C#N)cc1)[*:1]
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 COC[*:1] C[NH+](C)[C@@H]1CC[C@H](C1)NC(=O)N(Cc1ccc(C#N)cc1)C[*:1]
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 N#Cc1ccc(cc1)[*:1] COCCN(C[*:1])C(=O)N[C@@H]1CC[C@H](C1)[NH+](C)C
CCCN(C(=O)c1cc2c(F)cccc2s1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCCN(C(=O)c1cc2c(F)cccc2s1)[*:1]
CCCN(C(=O)c1cc2c(F)cccc2s1)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] O=C(c1cc2c(F)cccc2s1)N([C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)n1cnc2cc(C(=O)NCc3csc(=O)[nH]3)ccc21 O=c1[nH]c(cs1)[*:1] CC(C)n1cnc2cc(ccc21)C(=O)NC[*:1]
CC(C)n1cnc2cc(C(=O)NCc3csc(=O)[nH]3)ccc21 CC(C)[*:1] O=C(NCc1csc(=O)[nH]1)c1ccc2c(c1)ncn2[*:1]
CC(C)n1cnc2cc(C(=O)NCc3csc(=O)[nH]3)ccc21 O=c1[nH]c(cs1)C[*:1] CC(C)n1cnc2cc(ccc21)C(=O)N[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)[C@H](C)SCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)[C@H](C)SC[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)[C@H](C)SCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)[C@H](C)S[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)[C@H](C)SCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=N/NC(=O)[C@H](C)SCc1ccccc1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)[C@H](C)SCc1ccccc1 c1ccc(cc1)CS[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)[C@H](C)[*:1]
COc1cc(F)cc(CNC(=O)Nc2nnc(-c3ccccc3)s2)c1 c1ccc(cc1)[*:1] COc1cc(F)cc(c1)CNC(=O)Nc1nnc(s1)[*:1]
CCC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)COC3)C1 CCC[*:1] O=C(Nc1ccc2COCc2c1)N1CCC[C@H](C1)[*:1]
C[C@H](Oc1ccc2c(c1)CCCC2=O)c1nc(C2CC2)no1 C1CC1[*:1] C[C@H](Oc1ccc2C(=O)CCCc2c1)c1nc(no1)[*:1]
Cn1ncc(-c2cc3ncc(S(=O)(=O)C(C)(C)C)c(N)n3n2)c1C(F)(F)F FC(F)(F)[*:1] Cn1ncc(-c2cc3ncc(c(N)n3n2)S(=O)(=O)C(C)(C)C)c1[*:1]
Cn1ncc(-c2cc3ncc(S(=O)(=O)C(C)(C)C)c(N)n3n2)c1C(F)(F)F CC(C)(C)[*:1] Cn1ncc(-c2cc3ncc(c(N)n3n2)S(=O)(=O)[*:1])c1C(F)(F)F
Cn1ncc(-c2cc3ncc(S(=O)(=O)C(C)(C)C)c(N)n3n2)c1C(F)(F)F CC(C)(C)S(=O)(=O)[*:1] Cn1ncc(-c2cc3ncc(c(N)n3n2)[*:1])c1C(F)(F)F
O=C(CCC1CCCCC1)NNC(=O)CC1CCC1 C1CCC(CC1)[*:1] O=C(CC[*:1])NNC(=O)CC1CCC1
O=C(CCC1CCCCC1)NNC(=O)CC1CCC1 C1CC(C1)C[*:1] O=C(CCC1CCCCC1)NNC(=O)[*:1]
O=C(CCC1CCCCC1)NNC(=O)CC1CCC1 C1CC(C1)[*:1] O=C(CCC1CCCCC1)NNC(=O)C[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccn(n1)[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccn(-c2ccc(F)cc2)n1 COC(=O)[*:1] O[C@@H]1C[C@H](N(Cc2ccn(n2)-c2ccc(F)cc2)C1)[*:1]
C[C@H](Cn1cccn1)NC(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](Cn1cccn1)NC(=O)N(C)C[*:1]
C[C@H](Cn1cccn1)NC(=O)N(C)Cc1ccc(Cl)s1 c1cnn(c1)[*:1] C[C@H](C[*:1])NC(=O)N(C)Cc1ccc(Cl)s1
C[C@H](Cn1cccn1)NC(=O)N(C)Cc1ccc(Cl)s1 c1cnn(c1)C[*:1] C[C@H](NC(=O)N(C)Cc1ccc(Cl)s1)[*:1]
CCc1c(C[NH2+]C(C)(C)C)cnn1-c1cc(C)ccc1C CC(C)(C)[*:1] CCc1c(cnn1-c1cc(C)ccc1C)C[NH2+][*:1]
C[NH+](C)[C@@H](CNC(=O)N1CCCCCCC1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)N1CCCCCCC1)[*:1]
CO[C@@H]1CCCN(C(=O)NCC(C)(C)OC)C1 COC(C)(C)[*:1] CO[C@@H]1CCCN(C1)C(=O)NC[*:1]
O=C(NCCc1nc2c(s1)CCCC2)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 C1CCc2sc(nc2C1)[*:1] O=C(NCC[*:1])c1ccc(cc1)-c1nc(n[nH]1)C1CC1
O=C(NCCc1nc2c(s1)CCCC2)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 C1CC1c1n[nH]c(n1)[*:1] O=C(NCCc1nc2CCCCc2s1)c1ccc(cc1)[*:1]
O=C(NCCc1nc2c(s1)CCCC2)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 C1CC1[*:1] O=C(NCCc1nc2CCCCc2s1)c1ccc(cc1)-c1nc(n[nH]1)[*:1]
CCCC1=C2[C@H](N=N1)NC(=O)C[C@@H]2c1[nH+]c(C)ccc1[O-] CCC[*:1] Cc1ccc([O-])c([nH+]1)[C@H]1CC(=O)N[C@H]2N=NC(=C21)[*:1]
OC[C@H](Cc1ccccc1)Nc1ncnc2[nH]ccc12 c1ccc(cc1)[*:1] OC[C@H](C[*:1])Nc1ncnc2[nH]ccc12
CCc1cc2c(CN3CCC[C@@H]3c3ccc(OC)cc3)cc(=O)oc2cc1O COc1ccc(cc1)[*:1] CCc1cc2c(cc(=O)oc2cc1O)CN1CCC[C@H]1[*:1]
O=C(COc1ccc(Oc2ccccn2)cc1)N1CCc2sccc2C1 c1ccc(nc1)[*:1] O=C(COc1ccc(cc1)O[*:1])N1CCc2sccc2C1
O=C(COc1ccc(Oc2ccccn2)cc1)N1CCc2sccc2C1 c1ccc(nc1)O[*:1] O=C(COc1ccc(cc1)[*:1])N1CCc2sccc2C1
COCCC(=O)N[C@@H](CO)C(C)C CC(C)[*:1] COCCC(=O)N[C@@H](CO)[*:1]
COCCC(=O)N[C@@H](CO)C(C)C COC[*:1] CC(C)[C@H](CO)NC(=O)C[*:1]
COCCC(=O)N[C@@H](CO)C(C)C COCC[*:1] CC(C)[C@H](CO)NC(=O)[*:1]
C[C@H](NC(=O)c1cccnc1N1CCOCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)c1cccnc1N1CCOCC1)c1ccc(cc1)NC(=O)[*:1]
C[C@H](NC(=O)c1cccnc1N1CCOCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 C1CN(CCO1)[*:1] C[C@H](NC(=O)c1cccnc1[*:1])c1ccc(cc1)NC(=O)c1ccc(F)cc1
C[C@H](NC(=O)c1cccnc1N1CCOCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 O=C(N[*:1])c1ccc(F)cc1 C[C@H](NC(=O)c1cccnc1N1CCOCC1)c1ccc(cc1)[*:1]
CNC(=O)c1cc(NC(=O)N[C@H]2CCCC[C@@H]2C)ccc1F CNC(=O)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(c1)[*:1]
CC[C@](C)([C@@H](O)c1ccccc1C(F)(F)F)[NH+]1CCCC1 FC(F)(F)[*:1] CC[C@](C)([C@@H](O)c1ccccc1[*:1])[NH+]1CCCC1
O=C(Nc1cccc2ccccc12)c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 c1ccc2c(cccc2c1)[*:1] O=C(N[*:1])c1cc(-c2ccco2)n(n1)[C@H]1CCS(=O)(=O)C1
O=C(Nc1cccc2ccccc12)c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 c1coc(c1)[*:1] O=C(Nc1cccc2ccccc12)c1cc(n(n1)[C@H]1CCS(=O)(=O)C1)[*:1]
CCOc1ccc(C(=O)OC[C@@H]2CC2(Cl)Cl)cc1OC CCO[*:1] COc1cc(ccc1[*:1])C(=O)OC[C@@H]1CC1(Cl)Cl
C#CCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2c(C)cc(C)cc21 CS(=O)(=O)[*:1] C#CCn1/c(=N/C(=O)c2ccc(cc2)[*:1])sc2c(C)cc(C)cc21
C#CCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2c(C)cc(C)cc21 C#CC[*:1] Cc1cc(C)c2s/c(=N\C(=O)c3ccc(cc3)S(C)(=O)=O)n(c2c1)[*:1]
Cc1cccc(C2=CCN(C(=O)NCC[C@@H](C)[S@@](C)=O)CC2)c1 Cc1cccc(c1)[*:1] C[C@H](CCNC(=O)N1CC=C(CC1)[*:1])[S@@](C)=O
CCCn1cc[nH+]c1C[C@H](O)c1cccc(OC)c1 CCC[*:1] COc1cccc(c1)[C@@H](O)Cc1[nH+]ccn1[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2csc(C)n2)CC1 CCOC(=O)[*:1] Cc1nc(cs1)C(=O)N1CCC(C)(CC1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)c2csc(C)n2)CC1 Cc1nc(cs1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)[*:1]
COc1ccc(CNC(=O)[C@H]2CCCN([C@@H]3[NH+]=c4ccc(Br)cc4=[NH+]3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)[C@@H]1[NH+]=c2ccc(Br)cc2=[NH+]1
COc1ccc(CNC(=O)[C@H]2CCCN([C@@H]3[NH+]=c4ccc(Br)cc4=[NH+]3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)[C@@H]1[NH+]=c2ccc(Br)cc2=[NH+]1
O=C(NCCO)c1cc2sc3ccccc3c2s1 OCC[*:1] O=C(N[*:1])c1cc2sc3ccccc3c2s1
O=C(NCCO)c1cc2sc3ccccc3c2s1 O=C(NCCO)[*:1] c1ccc2c(c1)sc1cc(sc12)[*:1]
COc1ccc2c(CC(=O)N(C)c3ccccc3)coc2c1 c1ccc(cc1)[*:1] COc1ccc2c(coc2c1)CC(=O)N(C)[*:1]
CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CC1([NH3+])CCC1 CC(C)(C)[*:1] [NH3+]C1(CCC1)CC(=O)N[C@@H]1CCCC[C@H]1[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 c1ccc(nc1)[*:1] CC[C@@H](CSC)N(C)C(=O)N[C@@H](c1cccc(F)c1)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 Fc1cccc(c1)[*:1] CC[C@@H](CSC)N(C)C(=O)N[C@@H](c1ccccn1)[*:1]
CC[C@@H](CSC)N(C)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 CSC[*:1] CC[C@@H](N(C)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)[*:1]
COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 COc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(C[*:1])o1)C(=O)Nc1sc2CCCCCc2c1C#N
COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1 COc1ccc(cc1)C[*:1] C[C@@H](Sc1nnc(o1)[*:1])C(=O)Nc1sc2CCCCCc2c1C#N
O=C(Cc1c(Cl)cccc1Cl)OCC(=O)N1CCCc2ccccc21 Clc1cccc(Cl)c1[*:1] O=C(C[*:1])OCC(=O)N1CCCc2ccccc21
Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2cc(Cl)ccc21 FC(F)(F)[*:1] Cn1c(nc2cc(Cl)ccc21)SCC(=O)Nc1ccccc1[*:1]
CSCC[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1 CSCC[C@@H](C)[*:1] O=C(Nc1ccc(F)c(Br)c1)C(=O)N[*:1]
CSCC[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1 CSCC[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Br)c1)[*:1]
CSCC[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(Br)c1 CSC[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1ccc(F)c(Br)c1
O=C([O-])[C@@H]1C[NH2+]C[C@H]1c1ccncc1 O=C([O-])[*:1] c1cc(ccn1)[C@@H]1C[NH2+]C[C@H]1[*:1]
Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c1C FC(F)(F)[*:1] Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc3c(nn(C)c3s2)[*:1])c1C
Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c1C Cc1ccccc1[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)c1cc2c(nn(C)c2s1)C(F)(F)F
Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c1C Cc1ccccc1C[*:1] Cc1nn(c(C)c1NC(=O)c1cc2c(nn(C)c2s1)C(F)(F)F)[*:1]
COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2cc(C)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)Cn1c(nc(C)cc1=O)[*:1]
COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2cc(C)ccc2C)cc1 Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1)-c1nc(C)cc(=O)n1CC(=O)N[*:1]
Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)cc1C C[C@@H]1C[C@H]1C(=O)N[*:1] Cc1cc(C)c(cc1C)-c1csc(n1)[*:1]
Cc1ccccc1[C@H](O)CNC(=O)Nc1cnn(-c2ccccc2F)c1 Cc1ccccc1[*:1] O=C(NC[C@@H](O)[*:1])Nc1cnn(c1)-c1ccccc1F
Cc1ccccc1[C@H](O)CNC(=O)Nc1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccccc1[C@H](O)CNC(=O)Nc1cnn(c1)[*:1]
Cc1cc(NC(=O)c2sccc2/C=C/C(=O)[O-])ccn1 O=C([O-])C=C[*:1] Cc1cc(ccn1)NC(=O)c1sccc1[*:1]
Cc1cc(NC(=O)c2sccc2/C=C/C(=O)[O-])ccn1 O=C([O-])[*:1] Cc1cc(ccn1)NC(=O)c1sccc1C=C[*:1]
COc1ccc(OC)c(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c1 FC(F)(F)c1cc(n[nH]1)[*:1] COc1ccc(OC)c(c1)NS(=O)(=O)c1cc(sc1C)[*:1]
COc1ccc(OC)c(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c1 FC(F)(F)[*:1] COc1ccc(OC)c(c1)NS(=O)(=O)c1cc(sc1C)-c1cc([nH]n1)[*:1]
CC(=O)N(C)c1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1 CC(=O)N(C)[*:1] CC1CC[NH+](CC1)CC(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1F CS(=O)(=O)N[*:1] COc1ccc(cc1F)C(=O)N1CCCC[C@@H]1C[*:1]
COc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1F CS(=O)(=O)NC[*:1] COc1ccc(cc1F)C(=O)N1CCCC[C@H]1[*:1]
N#Cc1ccccc1Oc1ccc(C(=O)NCc2cccnc2)cc1Cl c1cncc(c1)C[*:1] N#Cc1ccccc1Oc1ccc(cc1Cl)C(=O)N[*:1]
N#Cc1ccccc1Oc1ccc(C(=O)NCc2cccnc2)cc1Cl c1cncc(c1)[*:1] N#Cc1ccccc1Oc1ccc(cc1Cl)C(=O)NC[*:1]
N#Cc1ccccc1Oc1ccc(C(=O)NCc2cccnc2)cc1Cl N#Cc1ccccc1[*:1] O=C(NCc1cccnc1)c1ccc(O[*:1])c(Cl)c1
COC(=O)[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc2c(c1)OCCO2 COC(=O)[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCc2sccc2[C@H]1[*:1]
CC1(C)CCN(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)C1 O=C([O-])[*:1] CC1(C)CCN(C1)C(=O)Nc1ccc(O)c(c1)[*:1]
Cc1cc(C)n2c(CN(CCc3ccccn3)Cc3ccc(F)cc3)cnc2n1 Fc1ccc(cc1)C[*:1] Cc1cc(C)n2c(cnc2n1)CN(CCc1ccccn1)[*:1]
Cc1cc(C)n2c(CN(CCc3ccccn3)Cc3ccc(F)cc3)cnc2n1 c1ccc(CC[*:1])nc1 Cc1cc(C)n2c(cnc2n1)CN(Cc1ccc(F)cc1)[*:1]
Cc1cc(C)n2c(CN(CCc3ccccn3)Cc3ccc(F)cc3)cnc2n1 c1ccc(nc1)[*:1] Cc1cc(C)n2c(cnc2n1)CN(CC[*:1])Cc1ccc(F)cc1
Cc1cc(C)n2c(CN(CCc3ccccn3)Cc3ccc(F)cc3)cnc2n1 Fc1ccc(cc1)[*:1] Cc1cc(C)n2c(cnc2n1)CN(CCc1ccccn1)C[*:1]
Cc1cc(C)n2c(CN(CCc3ccccn3)Cc3ccc(F)cc3)cnc2n1 c1ccc(C[*:1])nc1 Cc1cc(C)n2c(cnc2n1)CN(Cc1ccc(F)cc1)C[*:1]
Cc1cc(F)ccc1-n1ncc(S(C)(=O)=O)c1N CS(=O)(=O)[*:1] Cc1cc(F)ccc1-n1ncc(c1N)[*:1]
C[C@H](Cl)C(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](Cl)C(=O)Nc1ccccc1C(=O)N[*:1]
C[C@H](Cl)C(=O)Nc1ccccc1C(=O)NC(C)(C)C C[C@H](Cl)C(=O)N[*:1] CC(C)(C)NC(=O)c1ccccc1[*:1]
C[C@H](Cl)C(=O)Nc1ccccc1C(=O)NC(C)(C)C C[C@H](Cl)[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)[*:1]
CNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c12 CNC(=O)[*:1] Cc1noc2nc(cc(c12)[*:1])-c1ccc2OCOc2c1
O=C1CCc2cc(NC(=O)[C@H]3CCN(c4cc(F)cc(F)c4)C3=O)ccc2N1 Fc1cc(F)cc(c1)[*:1] O=C1CCc2cc(ccc2N1)NC(=O)[C@H]1CCN(C1=O)[*:1]
Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)cc1 Cc1ccc(cc1)[*:1] O=C(c1ccc(s1)S(=O)(=O)[*:1])N1CCCC1
Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1ccc(s1)[*:1]
C[C@@H]1CC(Nc2cccc(OC3CCCC3)c2)C[C@@H](C)O1 C1CCC(C1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)Nc1cccc(c1)O[*:1]
C[C@@H]1CC(Nc2cccc(OC3CCCC3)c2)C[C@@H](C)O1 C1CCC(C1)O[*:1] C[C@@H]1CC(C[C@@H](C)O1)Nc1cccc(c1)[*:1]
CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 CCC(CC)NC(=O)[*:1] Clc1ccc(cc1)-c1nn(cc1[*:1])-c1ccccc1
CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCC(CC)NC(=O)c1cn(nc1[*:1])-c1ccccc1
CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 CCC(CC)[*:1] O=C(N[*:1])c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1
CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CCC(CC)NC(=O)c1cn(nc1-c1ccc(Cl)cc1)[*:1]
Cc1ccc(OCC(=O)NC2CC2)c(C)c1 C1CC1[*:1] Cc1ccc(OCC(=O)N[*:1])c(C)c1
C[C@H](NC(=O)[C@@H]1SCCc2ccccc21)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)[C@@H]1SCCc2ccccc21)C(=O)NC[*:1]
C[C@H](NC(=O)[C@@H]1SCCc2ccccc21)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)[C@@H]1SCCc2ccccc21)C(=O)N[*:1]
O=C(c1ccc(-c2ccccc2Cl)o1)N(CC(F)(F)F)c1ccccn1 Clc1ccccc1[*:1] O=C(c1ccc(o1)[*:1])N(CC(F)(F)F)c1ccccn1
O=C(c1ccc(-c2ccccc2Cl)o1)N(CC(F)(F)F)c1ccccn1 c1ccc(nc1)[*:1] O=C(c1ccc(o1)-c1ccccc1Cl)N(CC(F)(F)F)[*:1]
O=C(c1ccc(-c2ccccc2Cl)o1)N(CC(F)(F)F)c1ccccn1 FC(F)(F)C[*:1] O=C(c1ccc(o1)-c1ccccc1Cl)N(c1ccccn1)[*:1]
O=C(c1ccc(-c2ccccc2Cl)o1)N(CC(F)(F)F)c1ccccn1 FC(F)(F)[*:1] O=C(c1ccc(o1)-c1ccccc1Cl)N(C[*:1])c1ccccn1
Cc1cc(Cl)cc(C(=O)O[C@@H](C)[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] Cc1cc(Cl)cc(c1)C(=O)O[C@@H](C)[*:1]
COc1ccc(CCCNC(=O)Nc2cnn(-c3ncccn3)c2)cc1 c1cnc(nc1)[*:1] COc1ccc(cc1)CCCNC(=O)Nc1cnn(c1)[*:1]
COc1ccc(CCCNC(=O)Nc2cnn(-c3ncccn3)c2)cc1 COc1ccc(cc1)[*:1] O=C(NCCC[*:1])Nc1cnn(c1)-c1ncccn1
CCN(Cc1ccccn1)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 c1ccc(C[*:1])nc1 CCN(C(=O)N[C@H](C)c1nc(no1)C1CCCC1)[*:1]
CCN(Cc1ccccn1)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 C1CCC(C1)[*:1] CCN(Cc1ccccn1)C(=O)N[C@H](C)c1nc(no1)[*:1]
CCN(Cc1ccccn1)C(=O)N[C@H](C)c1nc(C2CCCC2)no1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)N[C@H](C)c1nc(no1)C1CCCC1
COC(=O)[C@@H](c1ccccc1)[NH+]1CCN(C/C=C/c2ccccc2)CC1 COC(=O)[*:1] C(=C/c1ccccc1)\CN1CC[NH+](CC1)[C@H](c1ccccc1)[*:1]
COC(=O)[C@@H](c1ccccc1)[NH+]1CCN(C/C=C/c2ccccc2)CC1 C(=C[*:1])c1ccccc1 COC(=O)[C@@H](c1ccccc1)[NH+]1CCN(CC1)C[*:1]
COC(=O)[C@@H](c1ccccc1)[NH+]1CCN(C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)[C@@H](c1ccccc1)[NH+]1CCN(CC=C[*:1])CC1
COC(=O)[C@@H](c1ccccc1)[NH+]1CCN(C/C=C/c2ccccc2)CC1 c1ccc(cc1)[*:1] COC(=O)[C@@H]([NH+]1CCN(C/C=C/c2ccccc2)CC1)[*:1]
CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2cccc3ccccc23)C1=O)C(=O)[O-] O=C([O-])[*:1] CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(C1=O)c1cccc2ccccc12)[*:1]
CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2cccc3ccccc23)C1=O)C(=O)[O-] CC(=O)N[*:1] O=C([O-])[C@H](CS[C@@H]1CC(=O)N(C1=O)c1cccc2ccccc12)[*:1]
c1ccc(-c2n[nH]c(SCCOC[C@H]3CCCO3)n2)nc1 c1ccc(nc1)[*:1] C1CO[C@H](C1)COCCSc1nc(n[nH]1)[*:1]
c1ccc(-c2n[nH]c(SCCOC[C@H]3CCCO3)n2)nc1 C1CO[C@H](C1)C[*:1] c1ccc(nc1)-c1n[nH]c(n1)SCCO[*:1]
c1ccc(-c2n[nH]c(SCCOC[C@H]3CCCO3)n2)nc1 C1CO[C@H](C1)[*:1] c1ccc(nc1)-c1n[nH]c(n1)SCCOC[*:1]
c1ccc(-c2n[nH]c(SCCOC[C@H]3CCCO3)n2)nc1 C1CO[C@H](C1)CO[*:1] c1ccc(nc1)-c1n[nH]c(n1)SCC[*:1]
O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc12)[NH+]1CCN(c2ncc(Br)cn2)CC1 Brc1cnc(nc1)[*:1] O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc12)[NH+]1CCN(CC1)[*:1]
O=C(CN1CCCOC1=O)N1CCN(c2nccs2)CC1 O=C1OCCCN1[*:1] O=C(C[*:1])N1CCN(CC1)c1nccs1
O=C(CN1CCCOC1=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] O=C(CN1CCCOC1=O)N1CCN(CC1)[*:1]
O=C([O-])c1ccc2nc(C3CCCCC3)[nH]c2c1 O=C([O-])[*:1] c1cc2nc([nH]c2cc1[*:1])C1CCCCC1
O=C([O-])c1ccc2nc(C3CCCCC3)[nH]c2c1 C1CCC(CC1)[*:1] O=C([O-])c1ccc2nc([nH]c2c1)[*:1]
Cc1ccc(CC(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] C[C@H](NC(=O)C[*:1])C(=O)N1CCOCC1
CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3C)c1 CC(=O)N[*:1] Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)Nc1cc(ccc1Cl)[*:1]
CCc1cc(C(=O)N2CCC[C@@H](C)C2)c2c(C3CC3)nn(-c3ccccc3F)c2n1 C1CC1[*:1] CCc1cc(C(=O)N2CCC[C@@H](C)C2)c2c(nn(-c3ccccc3F)c2n1)[*:1]
CCc1cc(C(=O)N2CCC[C@@H](C)C2)c2c(C3CC3)nn(-c3ccccc3F)c2n1 Fc1ccccc1[*:1] CCc1cc(C(=O)N2CCC[C@@H](C)C2)c2c(nn(c2n1)[*:1])C1CC1
Cc1cc(CN2C(=O)C[C@]3(CCSC3)C2=O)on1 Cc1cc(on1)[*:1] O=C1C[C@]2(CCSC2)C(=O)N1C[*:1]
Nc1c(C(=O)c2ccc(Cl)cc2)cnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Nc1c(cnn1[*:1])C(=O)c1ccc(Cl)cc1
Nc1c(C(=O)c2ccc(Cl)cc2)cnn1-c1cccc(Cl)c1 Clc1ccc(cc1)[*:1] Nc1c(cnn1-c1cccc(Cl)c1)C(=O)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccs2)C1 c1csc(c1)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)[C@@H](C)NC(=O)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccs2)C1 COC(=O)[*:1] C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@H](C1)C(C)(C)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccs2)C1 COC(=O)C(C)(C)[*:1] C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccs2)C1 O=C(N[*:1])c1cccs1 COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)[C@@H](C)[*:1]
Cc1cccc(OCC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)[C@H]1C[C@H]1c1ccccc1
Cc1cccc(OCC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c1 Cc1cccc(c1)OC[*:1] O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(OCC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])N1CCN(CC1)C(=O)[C@H]1C[C@H]1c1ccccc1
Cc1cccc(OCC(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)N1CCN(CC1)C(=O)[C@H]1C[C@@H]1[*:1]
COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)CO[*:1] COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1[*:1]
COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1O[*:1]
COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OC[*:1]
COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OCc1ccc(Cl)cc1 Oc1ccc(c(O)c1)[*:1] COc1cc(/C=N/NC(=O)[*:1])ccc1OCc1ccc(Cl)cc1
Cc1ccccc1Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)[O-] Cc1ccccc1N[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(n2CC(=O)[O-])[*:1]
Cc1ccccc1Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)[O-] O=C([O-])[*:1] Cc1ccccc1Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[*:1]
Cc1ccccc1Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)[O-] Cc1ccccc1[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N[*:1])n2CC(=O)[O-]
Cc1ccccc1Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)[O-] O=C([O-])C[*:1] Cc1ccccc1Nc1nc2c(c(=O)[nH]c(=O)n2C)n1[*:1]
Cn1c(CNc2cccc(CN3C(=O)CNC3=O)c2)nc2ccccc21 O=C1CNC(=O)N1[*:1] Cn1c(CNc2cccc(c2)C[*:1])nc2ccccc21
Cn1c(CNc2cccc(CN3C(=O)CNC3=O)c2)nc2ccccc21 O=C1CNC(=O)N1C[*:1] Cn1c(CNc2cccc(c2)[*:1])nc2ccccc21
CCn1cc(C(=O)NC[C@H](C)Oc2ccccc2F)cn1 CCn1cc(cn1)[*:1] C[C@@H](CNC(=O)[*:1])Oc1ccccc1F
CCn1cc(C(=O)NC[C@H](C)Oc2ccccc2F)cn1 Fc1ccccc1[*:1] CCn1cc(cn1)C(=O)NC[C@H](C)O[*:1]
CCOc1ccc2nc([C@H](C)O)[nH]c2c1 C[C@H](O)[*:1] CCOc1ccc2nc([nH]c2c1)[*:1]
CCOc1ccc2nc([C@H](C)O)[nH]c2c1 CCO[*:1] C[C@H](O)c1nc2ccc(cc2[nH]1)[*:1]
Cn1c(=O)n(CC(=O)N(Cc2ccccc2)CC(F)(F)F)c2ccccc21 FC(F)(F)[*:1] Cn1c(=O)n(CC(=O)N(Cc2ccccc2)C[*:1])c2ccccc21
Cn1c(=O)n(CC(=O)N(Cc2ccccc2)CC(F)(F)F)c2ccccc21 FC(F)(F)C[*:1] Cn1c(=O)n(CC(=O)N(Cc2ccccc2)[*:1])c2ccccc21
Cn1c(=O)n(CC(=O)N(Cc2ccccc2)CC(F)(F)F)c2ccccc21 c1ccc(cc1)[*:1] Cn1c(=O)n(CC(=O)N(CC(F)(F)F)C[*:1])c2ccccc21
Cn1c(=O)n(CC(=O)N(Cc2ccccc2)CC(F)(F)F)c2ccccc21 c1ccc(cc1)C[*:1] Cn1c(=O)n(CC(=O)N(CC(F)(F)F)[*:1])c2ccccc21
CN(C)C(=O)c1cccc(C(=O)OC2CCN(CC(F)(F)F)CC2)c1 FC(F)(F)[*:1] CN(C)C(=O)c1cccc(c1)C(=O)OC1CCN(CC1)C[*:1]
CN(C)C(=O)c1cccc(C(=O)OC2CCN(CC(F)(F)F)CC2)c1 FC(F)(F)C[*:1] CN(C)C(=O)c1cccc(c1)C(=O)OC1CCN(CC1)[*:1]
CN(C)C(=O)c1cccc(C(=O)OC2CCN(CC(F)(F)F)CC2)c1 CN(C)C(=O)[*:1] O=C(OC1CCN(CC1)CC(F)(F)F)c1cccc(c1)[*:1]
O=C([O-])CSc1ccc(C(=O)[O-])cc1 O=C([O-])C[*:1] O=C([O-])c1ccc(cc1)S[*:1]
O=C([O-])CSc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] O=C([O-])c1ccc(cc1)SC[*:1]
O=C([O-])CSc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] O=C([O-])CSc1ccc(cc1)[*:1]
Cc1ccccc1-n1nc(C)c(C[NH+](C)Cc2[nH]nc3c2CCCC3)c1C Cc1ccccc1[*:1] Cc1nn(c(C)c1C[NH+](C)Cc1[nH]nc2CCCCc21)[*:1]
Cc1ccccc1-n1nc(C)c(C[NH+](C)Cc2[nH]nc3c2CCCC3)c1C C1CCc2c(C1)n[nH]c2[*:1] Cc1ccccc1-n1nc(C)c(C[NH+](C)C[*:1])c1C
Cc1nn(C)cc1[C@@H](C)NC(=O)Nc1ccccc1N1CC[NH+](C)CC1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)[*:1]
O=C(NNC(=S)NC(=O)c1ccc(F)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NC(=S)NNC(=O)[*:1])c1ccc(F)cc1
O=C(NNC(=S)NC(=O)c1ccc(F)cc1)c1ccccc1 Fc1ccc(cc1)[*:1] O=C(NNC(=S)NC(=O)[*:1])c1ccccc1
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc(Cl)c1 c1ccc2c(c[nH]c2c1)[*:1] CC(=O)N[C@@H](C[*:1])C(=O)N[C@H](C)c1cccc(Cl)c1
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc(Cl)c1 C[C@H](c1cccc(Cl)c1)[*:1] CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[*:1]
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)[*:1]
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc(Cl)c1 CC(=O)N[*:1] C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)[*:1])c1cccc(Cl)c1
CCOc1ncccc1C(=O)Nc1cccc(Cl)c1C CCO[*:1] Cc1c(Cl)cccc1NC(=O)c1cccnc1[*:1]
O=C(NCc1ccccc1Cl)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 C1CN(CCO1)[*:1] O=C(NCc1ccccc1Cl)NC[C@@H]([C@H]1CCOC1)[*:1]
O=C(NCc1ccccc1Cl)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 C1C[C@@H](CO1)[*:1] O=C(NCc1ccccc1Cl)NC[C@@H](N1CCOCC1)[*:1]
O=C(NCc1ccccc1Cl)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 Clc1ccccc1[*:1] O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)NC[*:1]
O=C(NCc1ccccc1Cl)NC[C@@H]([C@H]1CCOC1)N1CCOCC1 Clc1ccccc1C[*:1] O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)N[*:1]
CCCc1ccc(-c2nc(NC(=O)Cc3c(C)[nH]c4ccnn4c3=O)sc2C)cc1 CCCc1ccc(cc1)[*:1] Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1nc(c(C)s1)[*:1]
CCCc1ccc(-c2nc(NC(=O)Cc3c(C)[nH]c4ccnn4c3=O)sc2C)cc1 CCC[*:1] Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1nc(-c2ccc(cc2)[*:1])c(C)s1
CNC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@@H](C)C2 CNC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)c1ccc(F)cc1)c2[*:1]
CNC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@@H](C)C2 Fc1ccc(cc1)[*:1] CNC(=O)c1c(NC(=O)[*:1])sc2C[C@H](C)CCc21
CN(CCc1ccccc1)C(=O)NCCOc1cccc(F)c1 c1ccc(cc1)[*:1] CN(CC[*:1])C(=O)NCCOc1cccc(F)c1
CN(CCc1ccccc1)C(=O)NCCOc1cccc(F)c1 c1ccc(cc1)C[*:1] CN(C[*:1])C(=O)NCCOc1cccc(F)c1
CN(CCc1ccccc1)C(=O)NCCOc1cccc(F)c1 Fc1cccc(c1)[*:1] CN(CCc1ccccc1)C(=O)NCCO[*:1]
Cc1cc(C(=O)Nc2ccc(C#N)cc2)nn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(nn1[*:1])C(=O)Nc1ccc(C#N)cc1
COc1cc(CC(=O)NCc2cc(C(C)C)no2)ccc1C CC(C)[*:1] COc1cc(ccc1C)CC(=O)NCc1cc(no1)[*:1]
COc1ccc(-c2cc3c([O-])nnc(SCc4nc(-c5ccccc5)oc4C)n3n2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1cc2c([O-])nnc(SCc3nc(oc3C)[*:1])n2n1
COc1ccc(-c2cc3c([O-])nnc(SCc4nc(-c5ccccc5)oc4C)n3n2)cc1OC COc1ccc(cc1OC)[*:1] Cc1oc(nc1CSc1nnc([O-])c2cc(nn12)[*:1])-c1ccccc1
O=C(Cn1cnnn1)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)[*:1] O=C(Cn1cnnn1)N(C[C@@H]1CCCO1)C[*:1]
O=C(Cn1cnnn1)N(Cc1cccs1)C[C@@H]1CCCO1 c1csc(c1)C[*:1] O=C(Cn1cnnn1)N(C[C@@H]1CCCO1)[*:1]
O=C(Cn1cnnn1)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(Cn1cnnn1)N(Cc1cccs1)C[*:1]
O=C(Cn1cnnn1)N(Cc1cccs1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(Cn1cnnn1)N(Cc1cccs1)[*:1]
O=C(Cn1cnnn1)N(Cc1cccs1)C[C@@H]1CCCO1 c1nnnn1[*:1] O=C(C[*:1])N(Cc1cccs1)C[C@@H]1CCCO1
O=C(Cn1cnnn1)N(Cc1cccs1)C[C@@H]1CCCO1 c1nnnn1C[*:1] O=C(N(Cc1cccs1)C[C@@H]1CCCO1)[*:1]
CNC(=O)[C@H]1CCCN(c2ccc(-n3nc(C)cc3C)cn2)C1 Cc1cc(C)n(n1)[*:1] CNC(=O)[C@H]1CCCN(C1)c1ccc(cn1)[*:1]
CNC(=O)[C@H]1CCCN(c2ccc(-n3nc(C)cc3C)cn2)C1 CNC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(nc1)N1CCC[C@@H](C1)[*:1]
CNc1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CNc1ccc(cc1[*:1])CN1CCn2c(C1)nnc2-c1ccccc1
CNc1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] CNc1ccc(cc1[N+](=O)[O-])CN1CCn2c(C1)nnc2[*:1]
CC(=O)c1ccc(N2C(=O)c3cnc4c(c(-c5ccc(Cl)cc5)nn4C)c3C2=O)cc1 CC(=O)[*:1] Cn1nc(-c2ccc(Cl)cc2)c2c3C(=O)N(C(=O)c3cnc21)c1ccc(cc1)[*:1]
CC(=O)c1ccc(N2C(=O)c3cnc4c(c(-c5ccc(Cl)cc5)nn4C)c3C2=O)cc1 Clc1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)N1C(=O)c2cnc3c(c(nn3C)[*:1])c2C1=O
CC(=O)c1ccc(N2C(=O)c3cnc4c(c(-c5ccc(Cl)cc5)nn4C)c3C2=O)cc1 CC(=O)c1ccc(cc1)[*:1] Cn1nc(-c2ccc(Cl)cc2)c2c3C(=O)N(C(=O)c3cnc21)[*:1]
CC(C)n1cnnc1C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 CC(C)[*:1] C[C@H]([NH2+]Cc1nncn1[*:1])[C@@H](C)c1ccccc1
CC(C)n1cnnc1C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC(C)n1cnnc1C[NH2+][C@@H](C)[C@@H](C)[*:1]
Cc1ccccc1Nc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccccc1Nc1ncnc(O[*:1])c1[N+](=O)[O-]
Cc1ccccc1Nc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] Cc1ccccc1[*:1] O=[N+]([O-])c1c(ncnc1Oc1ccccc1)N[*:1]
Cc1ccccc1Nc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] c1ccc(cc1)O[*:1] Cc1ccccc1Nc1ncnc(c1[N+](=O)[O-])[*:1]
Cc1ccccc1Nc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccccc1Nc1ncnc(Oc2ccccc2)c1[*:1]
Cc1ccccc1Nc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] Cc1ccccc1N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Oc1ccccc1
CCOC(=O)C[NH+]1CCCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1 C1CC1[*:1] CCOC(=O)C[NH+]1CCCN(CC1)c1nc(nc2sc3CCCCc3c12)[*:1]
CCOC(=O)C[NH+]1CCCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1 CCOC(=O)C[*:1] C1CCc2c(C1)sc1nc(nc(c21)N1CCC[NH+](CC1)[*:1])C1CC1
CCOC(=O)C[NH+]1CCCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1 CCOC(=O)[*:1] C1CCc2c(C1)sc1nc(nc(c21)N1CCC[NH+](CC1)C[*:1])C1CC1
CCN(Cc1ccccc1C)C(=O)C[C@H](NC(N)=O)c1cccs1 Cc1ccccc1C[*:1] CCN(C(=O)C[C@H](NC(N)=O)c1cccs1)[*:1]
CCN(Cc1ccccc1C)C(=O)C[C@H](NC(N)=O)c1cccs1 NC(=O)N[*:1] CCN(Cc1ccccc1C)C(=O)C[C@H](c1cccs1)[*:1]
CCN(Cc1ccccc1C)C(=O)C[C@H](NC(N)=O)c1cccs1 c1csc(c1)[*:1] CCN(Cc1ccccc1C)C(=O)C[C@H](NC(N)=O)[*:1]
CCN(Cc1ccccc1C)C(=O)C[C@H](NC(N)=O)c1cccs1 Cc1ccccc1[*:1] CCN(C[*:1])C(=O)C[C@H](NC(N)=O)c1cccs1
CCC(=O)Nc1ccc(Cl)c(NC(=O)NCC2(CC)CC2)c1 CCC1(CC1)[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)NC[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)NCC2(CC)CC2)c1 CCC1(CC1)C[*:1] CCC(=O)Nc1ccc(Cl)c(c1)NC(=O)N[*:1]
CCC(=O)Nc1ccc(Cl)c(NC(=O)NCC2(CC)CC2)c1 CCC(=O)N[*:1] CCC1(CC1)CNC(=O)Nc1cc(ccc1Cl)[*:1]
COc1ccc([C@H](C)C(=O)N(C(C)C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](C)C(=O)N(C(C)C)[*:1]
COc1ccc([C@H](C)C(=O)N(C(C)C)C2CCOCC2)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](C)C(=O)N(C1CCOCC1)[*:1]
C[C@H]1CN(c2cc(CNC(=O)CCCC(C)(C)C)cc[nH+]2)CCO1 CC(C)(C)C[*:1] C[C@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)CC[*:1]
C[C@H]1CN(c2cc(CNC(=O)CCCC(C)(C)C)cc[nH+]2)CCO1 CC(C)(C)CC[*:1] C[C@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)C[*:1]
C[C@H]1CN(c2cc(CNC(=O)CCCC(C)(C)C)cc[nH+]2)CCO1 CC(C)(C)CCC[*:1] C[C@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)[*:1]
C[C@H]1CN(c2cc(CNC(=O)CCCC(C)(C)C)cc[nH+]2)CCO1 CC(C)(C)[*:1] C[C@H]1CN(CCO1)c1cc(cc[nH+]1)CNC(=O)CCC[*:1]
CC(=O)c1cccc(NC(=O)CCCCl)c1 ClCCC[*:1] CC(=O)c1cccc(c1)NC(=O)[*:1]
CC(=O)c1cccc(NC(=O)CCCCl)c1 CC(=O)[*:1] O=C(CCCCl)Nc1cccc(c1)[*:1]
CC(=O)c1cccc(NC(=O)CCCCl)c1 ClCC[*:1] CC(=O)c1cccc(c1)NC(=O)C[*:1]
Cc1cc(NCc2nc(C)cs2)c2ncccc2c1 Cc1csc(n1)[*:1] Cc1cc(NC[*:1])c2ncccc2c1
Cc1nn(CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(C)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nn(CC(=O)[C@@H](C#N)c2nc(cs2)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)[C@@H](C#N)c2nc(cs2)-c2ccccc2)c(C)c1[*:1]
O=C(NCCn1ncc2c(N3CC[NH+](Cc4ccccc4)CC3)ncnc21)c1cccs1 c1ccc(cc1)C[*:1] O=C(NCCn1ncc2c(ncnc21)N1CC[NH+](CC1)[*:1])c1cccs1
O=C(NCCn1ncc2c(N3CC[NH+](Cc4ccccc4)CC3)ncnc21)c1cccs1 O=C(NCC[*:1])c1cccs1 c1ccc(cc1)C[NH+]1CCN(CC1)c1ncnc2c1cnn2[*:1]
O=C(NCCn1ncc2c(N3CC[NH+](Cc4ccccc4)CC3)ncnc21)c1cccs1 O=C(N[*:1])c1cccs1 c1ccc(cc1)C[NH+]1CCN(CC1)c1ncnc2c1cnn2CC[*:1]
O=C(NCCn1ncc2c(N3CC[NH+](Cc4ccccc4)CC3)ncnc21)c1cccs1 c1csc(c1)[*:1] O=C(NCCn1ncc2c(ncnc21)N1CC[NH+](CC1)Cc1ccccc1)[*:1]
O=C(NCCn1ncc2c(N3CC[NH+](Cc4ccccc4)CC3)ncnc21)c1cccs1 O=C(NC[*:1])c1cccs1 c1ccc(cc1)C[NH+]1CCN(CC1)c1ncnc2c1cnn2C[*:1]
O=C(NCCn1ncc2c(N3CC[NH+](Cc4ccccc4)CC3)ncnc21)c1cccs1 c1ccc(cc1)[*:1] O=C(NCCn1ncc2c(ncnc21)N1CC[NH+](CC1)C[*:1])c1cccs1
O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCc1nc(no1)[*:1]
O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCc1nc(-c2ccccc2)no1 Fc1ccccc1[*:1] O=C(C[C@@H]1C(=O)NCCN1C[*:1])NCc1nc(no1)-c1ccccc1
O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCc1nc(-c2ccccc2)no1 Fc1ccccc1C[*:1] O=C(C[C@@H]1C(=O)NCCN1[*:1])NCc1nc(no1)-c1ccccc1
Cc1ccc(NC(=O)NCCO)cc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc(cc1[*:1])NC(=O)NCCO
Cc1ccc(NC(=O)NCCO)cc1C(F)(F)F OCC[*:1] Cc1ccc(cc1C(F)(F)F)NC(=O)N[*:1]
CC(C)C[C@H](CCO)CNC(=O)N1C[C@H](C)CC[C@@H]1C CC(C)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)NC[C@@H](CCO)C[*:1]
CC(C)C[C@H](CCO)CNC(=O)N1C[C@H](C)CC[C@@H]1C OCC[*:1] CC(C)C[C@H](CNC(=O)N1C[C@H](C)CC[C@@H]1C)[*:1]
CC(C)C[C@H](CCO)CNC(=O)N1C[C@H](C)CC[C@@H]1C CC(C)C[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)NC[C@@H](CCO)[*:1]
CC(C)[C@H](C)C(=O)N[C@H]1CCC[NH2+][C@H]1C CC(C)[C@H](C)[*:1] C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[*:1]
CC(C)[C@H](C)C(=O)N[C@H]1CCC[NH2+][C@H]1C CC(C)[*:1] C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](C)[*:1]
Cc1cc(C)cc(-n2nc(C)cc2NC(=O)Cn2ccc(=O)[nH]c2=O)c1 O=c1ccn(c(=O)[nH]1)[*:1] Cc1cc(C)cc(c1)-n1nc(C)cc1NC(=O)C[*:1]
Cc1cc(C)cc(-n2nc(C)cc2NC(=O)Cn2ccc(=O)[nH]c2=O)c1 Cc1cc(C)cc(c1)[*:1] Cc1cc(NC(=O)Cn2ccc(=O)[nH]c2=O)n(n1)[*:1]
COc1ccc(-c2cc(C(=O)NCCc3nc(C(C)(C)C)cs3)n[nH]2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)-c1cc(n[nH]1)C(=O)NCCc1nc(cs1)[*:1]
COc1ccc(-c2cc(C(=O)NCCc3nc(C(C)(C)C)cs3)n[nH]2)cc1 CC(C)(C)c1csc(n1)[*:1] COc1ccc(cc1)-c1cc(n[nH]1)C(=O)NCC[*:1]
COc1ccc(-c2cc(C(=O)NCCc3nc(C(C)(C)C)cs3)n[nH]2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)c1csc(CCNC(=O)c2cc([nH]n2)[*:1])n1
Cc1ccc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1S(N)(=O)=O Fc1ccc(cc1)C[*:1] Cc1ccc(cc1S(N)(=O)=O)NC(=O)c1sc(nc1C)[*:1]
Cc1ccc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])NC(=O)c1sc(Cc2ccc(F)cc2)nc1C
Cc1ccc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)cc1S(N)(=O)=O Fc1ccc(cc1)[*:1] Cc1ccc(cc1S(N)(=O)=O)NC(=O)c1sc(C[*:1])nc1C
NC(=O)[C@H](NS(=O)(=O)CCCF)c1ccccc1 NC(=O)[*:1] O=S(=O)(CCCF)N[C@H](c1ccccc1)[*:1]
NC(=O)[C@H](NS(=O)(=O)CCCF)c1ccccc1 FCCC[*:1] NC(=O)[C@H](NS(=O)(=O)[*:1])c1ccccc1
NC(=O)[C@H](NS(=O)(=O)CCCF)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](NS(=O)(=O)CCCF)[*:1]
NC(=O)[C@H](NS(=O)(=O)CCCF)c1ccccc1 FCC[*:1] NC(=O)[C@H](NS(=O)(=O)C[*:1])c1ccccc1
Cc1nc(-c2cccc(NC(=O)NCc3ncoc3C)c2)no1 Cc1nc(no1)[*:1] Cc1ocnc1CNC(=O)Nc1cccc(c1)[*:1]
Cc1nc(-c2cccc(NC(=O)NCc3ncoc3C)c2)no1 Cc1ocnc1[*:1] Cc1nc(no1)-c1cccc(c1)NC(=O)NC[*:1]
Cc1nc(-c2cccc(NC(=O)NCc3ncoc3C)c2)no1 Cc1ocnc1C[*:1] Cc1nc(no1)-c1cccc(c1)NC(=O)N[*:1]
CCc1n[nH]c(S[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)n1 CCc1n[nH]c(n1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)S[*:1]
Cc1c(C(=O)NC[C@H]2C[C@]23CCc2ccccc23)cnn1C Cc1c(cnn1C)[*:1] O=C(NC[C@H]1C[C@]12CCc1ccccc12)[*:1]
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OC(C)C CC(C)O[*:1] COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1[*:1]
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OC(C)C CC(C)[*:1] COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1O[*:1]
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OC(C)C O=C(C[*:1])N1CCOCC1 COc1cc(/C=C2/SC(=O)N(C2=O)[*:1])ccc1OC(C)C
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OC(C)C O=C(N1CCOCC1)[*:1] COc1cc(/C=C2/SC(=O)N(C[*:1])C2=O)ccc1OC(C)C
O=C(NCc1cccc(-c2ccccc2)c1)c1cc2ccoc2cn1 c1ccc(cc1)[*:1] O=C(NCc1cccc(c1)[*:1])c1cc2ccoc2cn1
CC(=O)N1CCN(C(=O)[C@@H](Sc2cc(C)ccc2C)C(C)C)CC1 Cc1ccc(C)c(c1)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H](S[*:1])C(C)C
CC(=O)N1CCN(C(=O)[C@@H](Sc2cc(C)ccc2C)C(C)C)CC1 CC(C)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H](Sc1cc(C)ccc1C)[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Oc1c(Cl)cc(Cl)cc1Cl Clc1cc(Cl)c(c(Cl)c1)[*:1] O=C(CCC(=O)N1CCC(=N1)c1ccccc1)O[*:1]
O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Oc1c(Cl)cc(Cl)cc1Cl c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(=N1)[*:1])Oc1c(Cl)cc(Cl)cc1Cl
COc1ccc(CNC(=O)c2cnn(C(C)(C)C)c2)c(OC)c1OC CC(C)(C)[*:1] COc1ccc(CNC(=O)c2cnn(c2)[*:1])c(OC)c1OC
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cccc(Cl)c1 CCOC(=O)[*:1] O=C1NC(CCl)=C([C@@H](N1)c1cccc(Cl)c1)[*:1]
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1[*:1]
Nc1ccc2c(c1)CC[C@@H]2NC(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] Nc1ccc2c(c1)CC[C@@H]2NC(=O)c1n[nH]c(n1)[*:1]
COCc1noc(-c2cc3ccccc3o2)n1 COC[*:1] c1ccc2oc(cc2c1)-c1nc(no1)[*:1]
CC[C@H](C)n1ncc(C(=O)Nc2ccc(NC(=O)NC)cc2)c1C1CC1 CNC(=O)N[*:1] CC[C@H](C)n1ncc(C(=O)Nc2ccc(cc2)[*:1])c1C1CC1
CC[C@H](C)n1ncc(C(=O)Nc2ccc(NC(=O)NC)cc2)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)Nc2ccc(cc2)NC(=O)NC)c1[*:1]
COc1cc(C(=O)NCC(F)(F)F)ccc1OCc1ccc(Cl)cc1 FC(F)(F)[*:1] COc1cc(ccc1OCc1ccc(Cl)cc1)C(=O)NC[*:1]
COc1cc(C(=O)NCC(F)(F)F)ccc1OCc1ccc(Cl)cc1 O=C(NCC(F)(F)F)[*:1] COc1cc(ccc1OCc1ccc(Cl)cc1)[*:1]
COc1cc(C(=O)NCC(F)(F)F)ccc1OCc1ccc(Cl)cc1 FC(F)(F)C[*:1] COc1cc(ccc1OCc1ccc(Cl)cc1)C(=O)N[*:1]
COc1cc(C(=O)NCC(F)(F)F)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])C(=O)NCC(F)(F)F
COc1cc(C(=O)NCC(F)(F)F)ccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])C(=O)NCC(F)(F)F
CC[C@](C)(NS(=O)(=O)Cc1cc(C)on1)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NS(=O)(=O)Cc1cc(C)on1)[*:1]
CC[C@](C)(NS(=O)(=O)Cc1cc(C)on1)C(=O)[O-] Cc1cc(no1)[*:1] CC[C@](C)(NS(=O)(=O)C[*:1])C(=O)[O-]
O=C(Cc1ccc(F)cc1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NCCOc1ccc2nnc(-c3ccccc3)n2n1
O=C(Cc1ccc(F)cc1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 c1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)NCCOc1ccc2nnc(n2n1)[*:1]
O=C(Cc1ccc(F)cc1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 Fc1ccc(cc1)C[*:1] O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)[*:1]
CC(C)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)cc1 CC(C)c1ccc(cc1)[*:1] Cn1c(=O)c(nn(-c2ccc(Cl)cc2)c1=O)C(=O)N[*:1]
CC(C)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)cc1 Clc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)c1nn(c(=O)n(C)c1=O)[*:1]
CC(C)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)cc1 CC(C)[*:1] Cn1c(=O)c(nn(-c2ccc(Cl)cc2)c1=O)C(=O)Nc1ccc(cc1)[*:1]
COc1cc(OC)cc(C2(O)CC[NH+](Cc3c(F)cccc3F)CC2)c1 Fc1cccc(F)c1[*:1] COc1cc(cc(c1)C1(O)CC[NH+](CC1)C[*:1])OC
Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1CC1CC1 C1CC1[*:1] Cc1cc(C(=O)N2CCC[C@@H](C2)n2cc[nH+]c2)c(C)n1C[*:1]
Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1CC1CC1 C1CC1C[*:1] Cc1cc(C(=O)N2CCC[C@@H](C2)n2cc[nH+]c2)c(C)n1[*:1]
Cc1cc2c(cc1C)O[C@H](C(=O)N1C[C@@H](N3CCOCC3)[C@H](C)C1)C2 C1CN(CCO1)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)N1C[C@@H]([C@H](C)C1)[*:1]
CCCCOC(=O)[C@@H](C)NC(=O)c1cc(Br)cnc1Cl CCC[*:1] C[C@@H](NC(=O)c1cc(Br)cnc1Cl)C(=O)OC[*:1]
CCCCOC(=O)[C@@H](C)NC(=O)c1cc(Br)cnc1Cl CCCC[*:1] C[C@@H](NC(=O)c1cc(Br)cnc1Cl)C(=O)O[*:1]
Nc1nc(Sc2nnc3n2CCCCC3)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1nc(ncc1[*:1])Sc1nnc2CCCCCn21
COc1ccc2cc3cc(C(=O)NCCCOC(C)C)oc3nc2c1 CC(C)OC[*:1] COc1ccc2cc3cc(oc3nc2c1)C(=O)NCC[*:1]
COc1ccc2cc3cc(C(=O)NCCCOC(C)C)oc3nc2c1 CC(C)OCCC[*:1] COc1ccc2cc3cc(oc3nc2c1)C(=O)N[*:1]
COc1ccc2cc3cc(C(=O)NCCCOC(C)C)oc3nc2c1 CC(C)[*:1] COc1ccc2cc3cc(oc3nc2c1)C(=O)NCCCO[*:1]
COc1ccc2cc3cc(C(=O)NCCCOC(C)C)oc3nc2c1 CC(C)OCC[*:1] COc1ccc2cc3cc(oc3nc2c1)C(=O)NC[*:1]
COc1ccc2cc3cc(C(=O)NCCCOC(C)C)oc3nc2c1 CC(C)O[*:1] COc1ccc2cc3cc(oc3nc2c1)C(=O)NCCC[*:1]
CS[C@H]1CC[C@H](NC(=O)c2cc(-c3csc(C)n3)c[nH]2)C1 Cc1nc(cs1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)c1cc(c[nH]1)[*:1]
CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H](C)[*:1]
CCn1nc(C)cc1C(=O)Nc1cc(C(C)(C)C)ccc1O CC(C)(C)[*:1] CCn1nc(C)cc1C(=O)Nc1cc(ccc1O)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)c2ccccc2)cc1 C[C@@H](c1ccccc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H](C)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H](C)[C@@H](C)[*:1]
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)c2ccccc2)cc1 CC(=O)N[*:1] C[C@@H](c1ccccc1)[C@@H](C)NS(=O)(=O)c1ccc(cc1)[*:1]
CN(CC(=O)N1CCC[C@H](N2CCNC2=O)C1)c1cnccn1 O=C1NCCN1[*:1] CN(CC(=O)N1CCC[C@H](C1)[*:1])c1cnccn1
CN(CC(=O)N1CCC[C@H](N2CCNC2=O)C1)c1cnccn1 c1cnc(cn1)[*:1] CN(CC(=O)N1CCC[C@@H](C1)N1CCNC1=O)[*:1]
CCOC(=O)CO/N=C(\N)c1nonc1N CCOC(=O)[*:1] N/C(=N\OC[*:1])c1nonc1N
CCc1cnc(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)s1 CCc1cnc(s1)[*:1] O=C(N[*:1])[C@H]1CSCN1C(=O)C1CCCC1
CCc1cnc(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)s1 C1CCC(C1)[*:1] CCc1cnc(NC(=O)[C@H]2CSCN2C(=O)[*:1])s1
CC(=O)Nc1cc(NC(=O)N2CC[NH+](C3CC3)CC2)c(F)cc1F CC(=O)N[*:1] O=C(Nc1cc(c(F)cc1F)[*:1])N1CC[NH+](CC1)C1CC1
CC(=O)Nc1cc(NC(=O)N2CC[NH+](C3CC3)CC2)c(F)cc1F C1CC1[*:1] CC(=O)Nc1cc(NC(=O)N2CC[NH+](CC2)[*:1])c(F)cc1F
COC(=O)COc1ccc2c(c1C)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O COC(=O)CO[*:1] Cc1c(ccc2C(=O)/C(=C/c3cc(Cl)cc4COCOc34)Oc21)[*:1]
COC(=O)COc1ccc2c(c1C)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O COC(=O)C[*:1] Cc1c(ccc2C(=O)/C(=C/c3cc(Cl)cc4COCOc34)Oc21)O[*:1]
COC(=O)COc1ccc2c(c1C)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O COC(=O)[*:1] Cc1c(ccc2C(=O)/C(=C/c3cc(Cl)cc4COCOc34)Oc21)OC[*:1]
C[C@H](NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])[C@@H](C)c1ccccc1
C[C@H](NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1)c1cccc(C#N)c1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@@H](C)[C@@H](C)[*:1])c1cccc(C#N)c1
C[C@H](NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1)c1cccc(C#N)c1 C[C@@H](c1ccccc1)[*:1] C[C@H](NC(=O)N[C@@H](C)[*:1])c1cccc(C#N)c1
COc1ccc(N2C(=O)[C@H]3N=NN(Cc4cccc(Cl)c4)[C@H]3C2=O)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)N1C(=O)[C@H]2N=NN(C[*:1])[C@H]2C1=O
COc1ccc(N2C(=O)[C@H]3N=NN(Cc4cccc(Cl)c4)[C@H]3C2=O)cc1 Clc1cccc(c1)C[*:1] COc1ccc(cc1)N1C(=O)[C@H]2N=NN([C@H]2C1=O)[*:1]
COc1ccc(N2C(=O)[C@H]3N=NN(Cc4cccc(Cl)c4)[C@H]3C2=O)cc1 COc1ccc(cc1)[*:1] O=C1[C@H]2N=NN(Cc3cccc(Cl)c3)[C@H]2C(=O)N1[*:1]
COc1cc(/C(C#N)=C/c2c[nH]nc2-c2ccc(C)cc2)ccc1[N+](=O)[O-] Cc1ccc(cc1)[*:1] COc1cc(ccc1[N+](=O)[O-])/C(C#N)=C/c1c[nH]nc1[*:1]
COc1cc(/C(C#N)=C/c2c[nH]nc2-c2ccc(C)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1cc(ccc1[*:1])/C(C#N)=C/c1c[nH]nc1-c1ccc(C)cc1
CN(C)C(=O)c1cc(NC(=O)CCCC[C@@H]2CCSS2)ccc1Cl CN(C)C(=O)[*:1] O=C(CCCC[C@@H]1CCSS1)Nc1ccc(Cl)c(c1)[*:1]
CCOC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2cccs2)c1 c1csc(c1)[*:1] CCOC(=O)c1cccc(c1)NC(=O)C(=O)N(C)C[*:1]
CCOC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2cccs2)c1 c1csc(c1)C[*:1] CCOC(=O)c1cccc(c1)NC(=O)C(=O)N(C)[*:1]
CCOC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2cccs2)c1 CCOC(=O)[*:1] CN(Cc1cccs1)C(=O)C(=O)Nc1cccc(c1)[*:1]
CCOC(=O)C[C@@]1([NH3+])CCSc2ccccc21 CCOC(=O)[*:1] [NH3+][C@@]1(CCSc2ccccc21)C[*:1]
Cc1c(NC(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c(=O)n(-c2ccccc2)n1C CN(C)S(=O)(=O)[*:1] Cc1c(NC(=O)CSc2ccc(cn2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)CSc2ccc(cn2)S(=O)(=O)N(C)C)c(=O)n(n1C)[*:1]
C[C@@H](NS(=O)(=O)c1cc(Br)ccc1F)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@@H](NS(=O)(=O)c1cc(Br)ccc1F)[*:1]
CCn1cc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cn1 CCn1cc(cn1)[*:1] Cc1nn(Cc2ccccc2)c2nc(cc(c12)C(F)F)[*:1]
CCn1cc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)-c1cc(c2c(C)nn(C[*:1])c2n1)C(F)F
CCn1cc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cn1 FC(F)[*:1] CCn1cc(cn1)-c1cc(c2c(C)nn(Cc3ccccc3)c2n1)[*:1]
CCn1cc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cn1 c1ccc(cc1)C[*:1] CCn1cc(cn1)-c1cc(c2c(C)nn(c2n1)[*:1])C(F)F
CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1 CCC[*:1] O=C(Nc1ccc2nc(NC(=O)[*:1])sc2c1)c1ccccc1
CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1 CCCC(=O)N[*:1] O=C(Nc1ccc2nc(sc2c1)[*:1])c1ccccc1
CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3)cc2s1 c1ccc(cc1)[*:1] CCCC(=O)Nc1nc2ccc(cc2s1)NC(=O)[*:1]
COC[C@@H]1CCCN1C(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)OC[*:1] COC[C@@H]1CCCN1C(=O)Nc1ccc(cc1)[*:1]
COC[C@@H]1CCCN1C(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)[*:1] COC[C@@H]1CCCN1C(=O)Nc1ccc(cc1)CO[*:1]
COC[C@@H]1CCCN1C(=O)Nc1ccc(COC(C)(C)C)cc1 CC(C)(C)O[*:1] COC[C@@H]1CCCN1C(=O)Nc1ccc(cc1)C[*:1]
COC[C@@H]1CCCN1C(=O)Nc1ccc(COC(C)(C)C)cc1 COC[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)N1CCC[C@H]1[*:1]
C#CCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(S(C)(=O)=O)ccc21 CS(=O)(=O)[*:1] C#CCn1/c(=N/C(=O)c2cc(OC)c(OC)c(c2)OC)sc2cc(ccc21)[*:1]
C#CCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(S(C)(=O)=O)ccc21 C#CC[*:1] COc1cc(cc(OC)c1OC)C(=O)/N=c1\sc2cc(ccc2n1[*:1])S(C)(=O)=O
Cc1cc2occ(CC(=O)Nc3ccc(Sc4nncn4C)cc3)c2cc1C(C)C CC(C)[*:1] Cc1cc2occ(CC(=O)Nc3ccc(cc3)Sc3nncn3C)c2cc1[*:1]
Cc1cc2occ(CC(=O)Nc3ccc(Sc4nncn4C)cc3)c2cc1C(C)C Cn1cnnc1[*:1] Cc1cc2occ(CC(=O)Nc3ccc(cc3)S[*:1])c2cc1C(C)C
Cc1cc2occ(CC(=O)Nc3ccc(Sc4nncn4C)cc3)c2cc1C(C)C Cn1cnnc1S[*:1] Cc1cc2occ(CC(=O)Nc3ccc(cc3)[*:1])c2cc1C(C)C
CC(C)(C)N1C[C@@H](C(=O)n2ccnc2)CC1=O CC(C)(C)[*:1] O=C1C[C@@H](CN1[*:1])C(=O)n1ccnc1
CCOCCCNC(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1 CCOCC[*:1] Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)NC[*:1]
CCOCCCNC(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1 CCOC[*:1] Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)NCC[*:1]
CCOCCCNC(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1 CCO[*:1] Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)NCCC[*:1]
CCOCCCNC(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1 CCOCCC[*:1] Cc1ccc2oc(=O)c3cc(sc3c2c1)C(=O)N[*:1]
CCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C2CCC2)C1 CCNC(=O)[*:1] Cc1cccc(c1)-c1ccccc1C[C@]1(CCN(C1)C(=O)C1CCC1)[*:1]
CCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C2CCC2)C1 C1CC(C1)[*:1] CCNC(=O)[C@]1(CCN(C1)C(=O)[*:1])Cc1ccccc1-c1cccc(C)c1
CCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C2CCC2)C1 Cc1cccc(c1)[*:1] CCNC(=O)[C@]1(CCN(C1)C(=O)C1CCC1)Cc1ccccc1[*:1]
COCCOCC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 COCCO[*:1] N#Cc1ccc(c(F)c1)N1CCN(CC1)C(=O)C[*:1]
COCCOCC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 COCCOC[*:1] N#Cc1ccc(c(F)c1)N1CCN(CC1)C(=O)[*:1]
COCCOCC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 COCC[*:1] N#Cc1ccc(c(F)c1)N1CCN(CC1)C(=O)CO[*:1]
COCCOCC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 COC[*:1] N#Cc1ccc(c(F)c1)N1CCN(CC1)C(=O)COC[*:1]
N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccs2)cc1 c1csc(c1)[*:1] N#Cc1ccc(cc1)NC(=O)[C@H]1CSCN1C(=O)[*:1]
CCCn1c(=C(C#N)C#N)s/c(=C/c2cccc(F)c2)c1=O CCC[*:1] N#CC(C#N)=c1s/c(=C/c2cccc(F)c2)c(=O)n1[*:1]
CCCn1c(=C(C#N)C#N)s/c(=C/c2cccc(F)c2)c1=O Fc1cccc(c1)[*:1] CCCn1c(sc(=C[*:1])c1=O)=C(C#N)C#N
C[C@H](c1ccco1)N(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1 c1coc(c1)[*:1] C[C@H](N(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1 C[C@H](c1ccco1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)N(C1CC1)[*:1]
C[C@H](c1ccco1)N(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1 C1CC1[*:1] C[C@H](c1ccco1)N(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[*:1]
COc1cccc(CCC(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1 COc1cccc(c1)[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN(C1)C(=O)CC[*:1]
COc1cccc(CCC(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1 COc1cccc(c1)C[*:1] Cc1ccc2nc([nH]c2c1)[C@H]1CCCN(C1)C(=O)C[*:1]
CC(=O)Oc1ccc2nc[nH]c(=O)c2c1 CC(=O)O[*:1] O=c1[nH]cnc2ccc(cc12)[*:1]
CC/[NH+]=C(/NCCC(F)(F)F)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C FC(F)(F)C[*:1] CC/[NH+]=C(/NC[*:1])N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
CC/[NH+]=C(/NCCC(F)(F)F)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C FC(F)(F)CC[*:1] CC/[NH+]=C(\N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)N[*:1]
CC/[NH+]=C(/NCCC(F)(F)F)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C FC(F)(F)[*:1] CC/[NH+]=C(/NCC[*:1])N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])o2)CCS(=O)(=O)C1 O=[N+]([O-])[*:1] C[C@]1(CCS(=O)(=O)C1)NC(=O)c1ccc(o1)[*:1]
O=S(=O)(CCOC1CCCCCC1)Cc1ccccc1Cl Clc1ccccc1[*:1] O=S(=O)(CCOC1CCCCCC1)C[*:1]
O=S(=O)(CCOC1CCCCCC1)Cc1ccccc1Cl C1CCCC(CC1)[*:1] O=S(=O)(CCO[*:1])Cc1ccccc1Cl
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(OCC(N)=O)cc2)C1(C)C CC(C)=C[*:1] CC1(C)[C@H](C(=O)Nc2ccc(cc2)OCC(N)=O)[C@H]1[*:1]
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(OCC(N)=O)cc2)C1(C)C NC(=O)[*:1] CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(cc2)OC[*:1])C1(C)C
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(OCC(N)=O)cc2)C1(C)C NC(=O)C[*:1] CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(cc2)O[*:1])C1(C)C
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(OCC(N)=O)cc2)C1(C)C NC(=O)CO[*:1] CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(cc2)[*:1])C1(C)C
Cc1noc(C)c1CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F Cc1noc(C)c1CC[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)N[*:1]
Cc1noc(C)c1CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F Cc1noc(C)c1C[*:1] O=C(NC[*:1])N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
Cc1noc(C)c1CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F Cc1noc(C)c1[*:1] O=C(NCC[*:1])N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
Cc1noc(C)c1CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1noc(C)c1CCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1[*:1]
CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)CC[C@@H]21 Cc1ccc(cc1)[*:1] CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2CN(CC[C@@H]21)S(=O)(=O)[*:1]
CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)CC[C@@H]21 Cc1cccc(c1)[*:1] CC(=O)N1C[C@@H]([C@@H]2CN(CC[C@@H]21)S(=O)(=O)c1ccc(C)cc1)[*:1]
CCc1ccc(C2=C[C@H](C(=O)N3CCN(C(=O)[C@@H]4NSc5ccc(C)cc54)CC3)N=N2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc2SN[C@@H](C(=O)N3CCN(CC3)C(=O)[C@H]3C=C(N=N3)[*:1])c2c1
Cc1noc(C)c1[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl Cc1noc(C)c1[*:1] C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)[*:1]
Fc1ccccc1[C@@H]1C[C@H](c2ccc(Br)s2)Nc2nnnn21 Fc1ccccc1[*:1] Brc1ccc(s1)[C@H]1C[C@H](n2nnnc2N1)[*:1]
Fc1ccccc1[C@@H]1C[C@H](c2ccc(Br)s2)Nc2nnnn21 Brc1ccc(s1)[*:1] Fc1ccccc1[C@@H]1C[C@H](Nc2nnnn21)[*:1]
CC1(C)CSC[C@](O)([C@H](F)C(=O)[O-])C1 O=C([O-])[*:1] CC1(C)CSC[C@@](O)(C1)[C@H](F)[*:1]
C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CC1 O=C(NC1CC1)[*:1] C[C@@H](Oc1ccc2OCOc2c1)[*:1]
C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CC1 C1CC1[*:1] C[C@@H](Oc1ccc2OCOc2c1)C(=O)N[*:1]
O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 c1csc(c1)[*:1] O=C(NCc1ccc(c(F)c1)-n1ccnc1)[C@H]1CCCN1S(=O)(=O)[*:1]
O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 c1cn(cn1)[*:1] O=C(NCc1ccc(c(F)c1)[*:1])[C@H]1CCCN1S(=O)(=O)c1cccs1
CCS(=O)(=O)NCCCNC(=O)Nc1ccc2c(c1)oc1ccccc12 CCS(=O)(=O)NCC[*:1] O=C(NC[*:1])Nc1ccc2c(c1)oc1ccccc12
CCS(=O)(=O)NCCCNC(=O)Nc1ccc2c(c1)oc1ccccc12 CCS(=O)(=O)N[*:1] O=C(NCCC[*:1])Nc1ccc2c(c1)oc1ccccc12
CCS(=O)(=O)NCCCNC(=O)Nc1ccc2c(c1)oc1ccccc12 CCS(=O)(=O)NC[*:1] O=C(NCC[*:1])Nc1ccc2c(c1)oc1ccccc12
COc1ccccc1NC(=O)COc1ccc2ccccc2c1C=O COc1ccccc1[*:1] O=Cc1c(ccc2ccccc12)OCC(=O)N[*:1]
N=C1NC(=O)N(C2CC2)[C@@H]1C1CCOCC1 C1CC1[*:1] N=C1NC(=O)N([C@@H]1C1CCOCC1)[*:1]
Cc1cc(C(=O)N[C@@H]2CC[S@](=O)C2)c(C)n1C1CCCCC1 C1CCC(CC1)[*:1] Cc1cc(C(=O)N[C@@H]2CC[S@](=O)C2)c(C)n1[*:1]
CCOc1ccc([C@@H]2NC(=O)c3cc(Cl)ccc3N2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])[C@@H]1NC(=O)c2cc(Cl)ccc2N1
CN(C)C(=O)Cn1c(CCl)nc2cccnc21 CN(C)C(=O)[*:1] ClCc1nc2cccnc2n1C[*:1]
COc1ccc([C@@H](C)NC(=O)Cn2ccn(-c3ccccc3OC)c(=O)c2=O)cc1 COc1ccccc1[*:1] COc1ccc(cc1)[C@@H](C)NC(=O)Cn1ccn(c(=O)c1=O)[*:1]
COc1ccc([C@@H](C)NC(=O)Cn2ccn(-c3ccccc3OC)c(=O)c2=O)cc1 COc1ccc(cc1)[C@@H](C)[*:1] COc1ccccc1-n1ccn(CC(=O)N[*:1])c(=O)c1=O
COc1ccc([C@@H](C)NC(=O)Cn2ccn(-c3ccccc3OC)c(=O)c2=O)cc1 COc1ccc(cc1)[*:1] COc1ccccc1-n1ccn(CC(=O)N[C@H](C)[*:1])c(=O)c1=O
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1 CNS(=O)(=O)[*:1] C[C@@H]([NH2+][C@H]1CC(=O)N(C1)C1CC1)c1cccc(c1)[*:1]
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1 C1CC1[*:1] CNS(=O)(=O)c1cccc(c1)[C@@H](C)[NH2+][C@H]1CC(=O)N(C1)[*:1]
Cc1ccc(-c2nc(CNC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)co2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-c1nc(co1)CNC(=O)[C@@H]1CCCC[C@@H]1[*:1]
Cc1ccc(-c2nc(CNC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)co2)cc1 Cc1ccc(cc1)[*:1] O=C(NCc1coc(n1)[*:1])[C@@H]1CCCC[C@H]1C(F)(F)F
CCc1ccccc1NC(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O CCc1ccccc1[*:1] Cc1ccc2C(=O)N(C(=O)c2c1)[C@@H](C)C(=O)N[*:1]
CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCO3)cc1 CCNS(=O)(=O)[*:1] O=C(Nc1ccc2OCCc2c1)c1ccc(cc1)[*:1]
Cc1cc(NC(=O)[C@H](C)[S@](=O)Cc2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)[S@](=O)C[*:1]
Cc1cc(NC(=O)[C@H](C)[S@](=O)Cc2ccc(F)cc2)no1 Cc1cc(no1)[*:1] C[C@@H](C(=O)N[*:1])[S@](=O)Cc1ccc(F)cc1
CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc3cn[nH]c23)CCCC1 CC(C)(C)OC(=O)N[*:1] O=C(NC1(CCCC1)C[*:1])c1cccc2cn[nH]c12
CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc3cn[nH]c23)CCCC1 CC(C)(C)[*:1] O=C(NCC1(CCCC1)NC(=O)c1cccc2cn[nH]c12)O[*:1]
CC1(NC(=O)Nc2ccc3c(c2)COC3)CCC1 CC1(CCC1)[*:1] O=C(Nc1ccc2COCc2c1)N[*:1]
Cc1cc(C)cc(C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)c1 c1c(nc2SCCn12)[*:1] Cc1cc(C)cc(c1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C)cc(C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(Nc1ccc(cc1)-c1cn2CCSc2n1)[*:1]
CCOC(=O)c1c(NC(=O)[C@H]2CN(C)CCO2)sc(C)c1CC CCOC(=O)[*:1] CCc1c(C)sc(NC(=O)[C@H]2CN(C)CCO2)c1[*:1]
O=C(Nc1ccc(O)cc1)[C@H]1CC=CC[C@H]1C(=O)[O-] O=C([O-])[*:1] O=C(Nc1ccc(O)cc1)[C@H]1CC=CC[C@@H]1[*:1]
CCCOCC[C@@H]1CCC[C@]1([NH3+])C(N)=O NC(=O)[*:1] CCCOCC[C@@H]1CCC[C@@]1([NH3+])[*:1]
CCCOCC[C@@H]1CCC[C@]1([NH3+])C(N)=O CCC[*:1] NC(=O)[C@@]1([NH3+])CCC[C@H]1CCO[*:1]
CCCOCC[C@@H]1CCC[C@]1([NH3+])C(N)=O CCCO[*:1] NC(=O)[C@@]1([NH3+])CCC[C@H]1CC[*:1]
CCCOCC[C@@H]1CCC[C@]1([NH3+])C(N)=O CCCOC[*:1] NC(=O)[C@@]1([NH3+])CCC[C@H]1C[*:1]
COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)[C@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)[C@@H]1[C@H](C(=O)c2ccccc2)[C@](O)(N(C)C(=O)N1C)[*:1]
COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)[C@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1OC COc1ccc(cc1OC)[*:1] CN1C(=O)N(C)[C@](O)([C@@H](C(=O)c2ccccc2)[C@H]1[*:1])C(F)(F)F
COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)[C@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H]1[C@H](C(=O)[*:1])[C@@](O)(N(C)C(=O)N1C)C(F)(F)F
COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)[C@](O)(C(F)(F)F)N(C)C(=O)N2C)cc1OC O=C(c1ccccc1)[*:1] COc1ccc(cc1OC)[C@@H]1[C@H]([C@@](O)(N(C)C(=O)N1C)C(F)(F)F)[*:1]
CN(CCS(C)(=O)=O)c1cccc(/C(N)=N/O)n1 CS(=O)(=O)C[*:1] CN(C[*:1])c1cccc(n1)/C(N)=N/O
CN(CCS(C)(=O)=O)c1cccc(/C(N)=N/O)n1 N/C(=N\O)[*:1] CN(CCS(C)(=O)=O)c1cccc(n1)[*:1]
CN(CCS(C)(=O)=O)c1cccc(/C(N)=N/O)n1 CS(=O)(=O)[*:1] CN(CC[*:1])c1cccc(n1)/C(N)=N/O
CN(CCS(C)(=O)=O)c1cccc(/C(N)=N/O)n1 CS(=O)(=O)CC[*:1] CN(c1cccc(n1)/C(N)=N/O)[*:1]
C[C@@H](SC1CCCCC1)C(=O)N[C@@H]1CCCC[C@H]1C C1CCC(CC1)[*:1] C[C@@H](S[*:1])C(=O)N[C@@H]1CCCC[C@H]1C
CCc1nnc([O-])c(C(=O)NC[C@](C)(O)c2ccc(F)cc2)c1CC Fc1ccc(cc1)[*:1] CCc1nnc([O-])c(C(=O)NC[C@](C)(O)[*:1])c1CC
COc1ccc(C(N)=O)c(OCc2nc(-c3cccs3)no2)c1 NC(=O)[*:1] COc1ccc(c(c1)OCc1nc(no1)-c1cccs1)[*:1]
COc1ccc(C(N)=O)c(OCc2nc(-c3cccs3)no2)c1 c1csc(c1)[*:1] COc1ccc(C(N)=O)c(c1)OCc1nc(no1)[*:1]
O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(Cl)cc1F O=[N+]([O-])[*:1] O=S(=O)(Oc1cc(F)ccc1[*:1])c1ccc(Cl)cc1F
COCCNC(=O)CCC1CCN(C(=O)c2ccco2)CC1 COCC[*:1] O=C(CCC1CCN(CC1)C(=O)c1ccco1)N[*:1]
COCCNC(=O)CCC1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] COCCNC(=O)CCC1CCN(CC1)C(=O)[*:1]
COCCNC(=O)CCC1CCN(C(=O)c2ccco2)CC1 COCCNC(=O)[*:1] O=C(c1ccco1)N1CCC(CC1)CC[*:1]
COCCNC(=O)CCC1CCN(C(=O)c2ccco2)CC1 COC[*:1] O=C(CCC1CCN(CC1)C(=O)c1ccco1)NC[*:1]
CCOC(=O)C1=NN(c2ccc(C)cc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CCOC(=O)C1C[C@@H](N(N=1)c1ccc(C)cc1[N+](=O)[O-])[*:1]
CCOC(=O)C1=NN(c2ccc(C)cc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 O=[N+]([O-])[*:1] CCOC(=O)C1C[C@@H](C(=O)[O-])N(N=1)c1ccc(C)cc1[*:1]
COc1ccc2c(c1)[C@H](O)[C@H](Oc1ccc(C)cc1)CC2 Cc1ccc(cc1)[*:1] COc1ccc2CC[C@@H](O[*:1])[C@@H](O)c2c1
Cc1[nH+]ccn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 FC(F)(F)[*:1] Cc1[nH+]ccn1Cc1csc(n1)-c1ccc(cc1)[*:1]
Cc1cccc(OC(F)F)c1NCc1c(F)cccc1Cl FC(F)O[*:1] Cc1cccc(c1NCc1c(F)cccc1Cl)[*:1]
Cc1cccc(OC(F)F)c1NCc1c(F)cccc1Cl FC(F)[*:1] Cc1cccc(O[*:1])c1NCc1c(F)cccc1Cl
O=C(Nc1ccc(Br)cc1)c1cccnc1NCc1ccccc1 c1ccc(cc1)CN[*:1] O=C(Nc1ccc(Br)cc1)c1cccnc1[*:1]
O=C(Nc1ccc(Br)cc1)c1cccnc1NCc1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(Br)cc1)c1cccnc1NC[*:1]
O=C(Nc1ccc(Br)cc1)c1cccnc1NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(Br)cc1)c1cccnc1N[*:1]
O=C(Nc1ccc(Br)cc1)c1cccnc1NCc1ccccc1 Brc1ccc(cc1)[*:1] O=C(N[*:1])c1cccnc1NCc1ccccc1
CCNC(=O)C1CN(C(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)C1 CCNC(=O)[*:1] O=C(Nc1cnn(c1)Cc1ccccc1)C(=O)N1CC(C1)[*:1]
CCNC(=O)C1CN(C(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)C1 c1ccc(cc1)[*:1] CCNC(=O)C1CN(C1)C(=O)C(=O)Nc1cnn(c1)C[*:1]
CCNC(=O)C1CN(C(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)C1 c1ccc(cc1)C[*:1] CCNC(=O)C1CN(C1)C(=O)C(=O)Nc1cnn(c1)[*:1]
COc1ccc(C2=Nc3ncnn3[C@H](c3cccc(Br)c3)C2)cc1OC Brc1cccc(c1)[*:1] COc1ccc(cc1OC)C1C[C@@H](n2ncnc2N=1)[*:1]
Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCC3=c4cc(C)ccc4=[NH+]C3)C2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cc1ccc2=[NH+]CC(CCN3C[C@H](CC3=O)C(=O)N[*:1])=c2c1
COc1cc(NC(=O)c2cc(C(C)C)no2)cc(OC)c1OC CC(C)[*:1] COc1cc(cc(OC)c1OC)NC(=O)c1cc(no1)[*:1]
Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1-n1cccc1 c1csc(c1)[*:1] Cc1ccc(cc1-n1cccc1)C(=O)N1CCC[C@@H]1[*:1]
Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1-n1cccc1 c1ccn(c1)[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCC[C@H]1c1cccs1
CC[C@@H]1CCCCN1C(=O)COc1ccc(C(N)=O)cc1 NC(=O)[*:1] CC[C@@H]1CCCCN1C(=O)COc1ccc(cc1)[*:1]
O=C(Nc1nncs1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 c1nnc(s1)[*:1] O=C(N[*:1])[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2
O=C(Nc1nncs1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 C1CCC(C1)[*:1] O=C(Nc1nncs1)[C@@H]1c2ccccc2C(=O)N(C12CCCCC2)[*:1]
O=C(Nc1nncs1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 O=C(Nc1nncs1)[*:1] O=C1c2ccccc2[C@H](C2(CCCCC2)N1C1CCCC1)[*:1]
O=C(O[C@@H](c1ccccc1)c1ccccn1)c1cnc2ccccc2n1 c1ccc(nc1)[*:1] O=C(O[C@@H](c1ccccc1)[*:1])c1cnc2ccccc2n1
O=C(O[C@@H](c1ccccc1)c1ccccn1)c1cnc2ccccc2n1 c1ccc(cc1)[*:1] O=C(O[C@@H](c1ccccn1)[*:1])c1cnc2ccccc2n1
CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)C(C(C)=O)=C(C)N1 CCOC(=O)[*:1] CC(=O)C1=C(C)NC(SC[*:1])=C(C#N)[C@@H]1c1ccccc1F
CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)C(C(C)=O)=C(C)N1 CC(=O)[*:1] CCOC(=O)CSC1NC(C)=C([C@H](C=1C#N)c1ccccc1F)[*:1]
CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)C(C(C)=O)=C(C)N1 CCOC(=O)CS[*:1] CC(=O)C1=C(C)NC(=C(C#N)[C@@H]1c1ccccc1F)[*:1]
CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)C(C(C)=O)=C(C)N1 Fc1ccccc1[*:1] CCOC(=O)CSC1NC(C)=C(C(C)=O)[C@@H](C=1C#N)[*:1]
CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)C(C(C)=O)=C(C)N1 CCOC(=O)C[*:1] CC(=O)C1=C(C)NC(S[*:1])=C(C#N)[C@@H]1c1ccccc1F
CCCSc1nnc2ccc(C(F)(F)F)cn12 FC(F)(F)[*:1] CCCSc1nnc2ccc(cn12)[*:1]
CCCSc1nnc2ccc(C(F)(F)F)cn12 CCCS[*:1] FC(F)(F)c1ccc2nnc(n2c1)[*:1]
CCCSc1nnc2ccc(C(F)(F)F)cn12 CCC[*:1] FC(F)(F)c1ccc2nnc(S[*:1])n2c1
COc1cc(C)nc(N2CCC([NH2+]CCOc3ccccc3)CC2)n1 c1ccc(cc1)[*:1] COc1cc(C)nc(n1)N1CCC(CC1)[NH2+]CCO[*:1]
COc1cc(C)nc(N2CCC([NH2+]CCOc3ccccc3)CC2)n1 c1ccc(cc1)OC[*:1] COc1cc(C)nc(n1)N1CCC(CC1)[NH2+]C[*:1]
COc1cc(C)nc(N2CCC([NH2+]CCOc3ccccc3)CC2)n1 c1ccc(cc1)O[*:1] COc1cc(C)nc(n1)N1CCC(CC1)[NH2+]CC[*:1]
FC(F)(F)c1cccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])C[NH2+][C@@H]1CCOC2(CCC2)C1
COc1ccc(O[C@H](C)C(=O)NNc2c(C)cc(C)cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C)c(NNC(=O)[C@@H](C)O[*:1])c(C)c1
Cc1c(Cl)cccc1NC(=O)CNc1cccc(NC(=O)C2CC2)c1C C1CC1[*:1] Cc1c(Cl)cccc1NC(=O)CNc1cccc(NC(=O)[*:1])c1C
Cc1c(Cl)cccc1NC(=O)CNc1cccc(NC(=O)C2CC2)c1C O=C(N[*:1])C1CC1 Cc1c(Cl)cccc1NC(=O)CNc1cccc(c1C)[*:1]
Cc1c(Cl)cccc1NC(=O)CNc1cccc(NC(=O)C2CC2)c1C Cc1c(Cl)cccc1[*:1] Cc1c(cccc1NC(=O)C1CC1)NCC(=O)N[*:1]
CCc1cccc(NC(=O)C(=O)NC[C@H](O)C(C)(C)C)c1 CC(C)(C)[*:1] CCc1cccc(c1)NC(=O)C(=O)NC[C@H](O)[*:1]
CC1CCC(CN(C)C(=O)C(=O)Nc2ccc3c(c2)COC3)CC1 CC1CCC(CC1)[*:1] CN(C[*:1])C(=O)C(=O)Nc1ccc2COCc2c1
CC1CCC(CN(C)C(=O)C(=O)Nc2ccc3c(c2)COC3)CC1 CC1CCC(CC1)C[*:1] CN(C(=O)C(=O)Nc1ccc2COCc2c1)[*:1]
COc1ccc(NC(=O)c2cc(C3CC3)on2)c(OC)c1OC C1CC1[*:1] COc1ccc(NC(=O)c2cc(on2)[*:1])c(OC)c1OC
Cc1nccn1-c1cncc(N2CCC(OCC[NH+]3CCCC3)CC2)n1 Cc1nccn1[*:1] c1ncc(nc1N1CCC(CC1)OCC[NH+]1CCCC1)[*:1]
COc1ccc(OC)c(C(=O)Cn2cncn2)c1 c1ncn(n1)[*:1] COc1ccc(OC)c(c1)C(=O)C[*:1]
COc1ccc(OC)c(C(=O)Cn2cncn2)c1 c1ncn(C[*:1])n1 COc1ccc(OC)c(c1)C(=O)[*:1]
Cc1ccc([C@@H]2C[C@H]2C(=O)NCCc2nnc(-c3ccccc3)o2)s1 Cc1ccc(s1)[*:1] O=C(NCCc1nnc(o1)-c1ccccc1)[C@@H]1C[C@H]1[*:1]
Cc1ccc([C@@H]2C[C@H]2C(=O)NCCc2nnc(-c3ccccc3)o2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)[C@@H]1C[C@H]1C(=O)NCCc1nnc(o1)[*:1]
CC(C)N(CC(C)(C)O)C(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] CC(C)N(CC(C)(C)O)C(=O)N[C@H]1CCCC[C@H]1O[*:1]
CC(C)N(CC(C)(C)O)C(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 CC(C)(O)C[*:1] CC(C)N(C(=O)N[C@H]1CCCC[C@H]1OC1CCCC1)[*:1]
CC(C)N(CC(C)(C)O)C(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 CC(C)(O)[*:1] CC(C)N(C[*:1])C(=O)N[C@H]1CCCC[C@H]1OC1CCCC1
CC(C)N(CC(C)(C)O)C(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] CC(C)N(CC(C)(C)O)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
CC(C)N(CC(C)(C)O)C(=O)N[C@H]1CCCC[C@H]1OC1CCCC1 CC(C)[*:1] CC(C)(O)CN(C(=O)N[C@H]1CCCC[C@H]1OC1CCCC1)[*:1]
C[C@@H](CC(=O)Nc1ccccc1C(=O)Nc1nccs1)c1ccccc1 c1csc(n1)[*:1] C[C@@H](CC(=O)Nc1ccccc1C(=O)N[*:1])c1ccccc1
C[C@@H](CC(=O)Nc1ccccc1C(=O)Nc1nccs1)c1ccccc1 C[C@@H](c1ccccc1)[*:1] O=C(C[*:1])Nc1ccccc1C(=O)Nc1nccs1
C[C@@H](CC(=O)Nc1ccccc1C(=O)Nc1nccs1)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CC(=O)Nc1ccccc1C(=O)Nc1nccs1)[*:1]
C[C@@H](CC(=O)Nc1ccccc1C(=O)Nc1nccs1)c1ccccc1 O=C(Nc1nccs1)[*:1] C[C@@H](CC(=O)Nc1ccccc1[*:1])c1ccccc1
COC(=O)C[C@@H]1C(=O)NCCN1CC#Cc1ccc(Cl)cc1 COC(=O)[*:1] O=C1NCCN(CC#Cc2ccc(Cl)cc2)[C@@H]1C[*:1]
COC(=O)C[C@@H]1C(=O)NCCN1CC#Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COC(=O)C[C@@H]1C(=O)NCCN1CC#C[*:1]
COC(=O)C[C@@H]1C(=O)NCCN1CC#Cc1ccc(Cl)cc1 COC(=O)C[*:1] O=C1NCCN(CC#Cc2ccc(Cl)cc2)[C@@H]1[*:1]
C[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CCSc1nccc(=O)[nH]1 O=C([O-])[*:1] C[NH2+][C@]1(CCC[C@H]1CCSc1nccc(=O)[nH]1)[*:1]
O=C(NCCNc1ccccc1)Nc1cccc2cccnc12 c1ccc(cc1)[*:1] O=C(NCCN[*:1])Nc1cccc2cccnc12
O=C(NCCNc1ccccc1)Nc1cccc2cccnc12 c1ccc(cc1)N[*:1] O=C(NCC[*:1])Nc1cccc2cccnc12
Cc1ccc([C@H](C)NC(=O)CS(=O)(=O)Cc2noc(C3CC3)n2)cc1C Cc1ccc(cc1C)[*:1] C[C@H](NC(=O)CS(=O)(=O)Cc1noc(n1)C1CC1)[*:1]
Cc1ccc([C@H](C)NC(=O)CS(=O)(=O)Cc2noc(C3CC3)n2)cc1C C1CC1[*:1] Cc1ccc(cc1C)[C@H](C)NC(=O)CS(=O)(=O)Cc1noc(n1)[*:1]
Cc1ccc([C@H](C)NC(=O)CS(=O)(=O)Cc2noc(C3CC3)n2)cc1C C1CC1c1nc(no1)[*:1] Cc1ccc(cc1C)[C@H](C)NC(=O)CS(=O)(=O)C[*:1]
C[C@H](NS(=O)(=O)CC1CCC1)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@H](NS(=O)(=O)CC1CCC1)[*:1]
C[C@H](NS(=O)(=O)CC1CCC1)[C@@H]1CCOC1 C1CC(C1)C[*:1] C[C@H](NS(=O)(=O)[*:1])[C@@H]1CCOC1
C[C@H](NS(=O)(=O)CC1CCC1)[C@@H]1CCOC1 C1CC(C1)[*:1] C[C@H](NS(=O)(=O)C[*:1])[C@@H]1CCOC1
O=C(c1nc(C2CC2)n2ccccc12)N(CCC(F)(F)F)CC1CC1 C1CC1C[*:1] O=C(c1nc(C2CC2)n2ccccc12)N(CCC(F)(F)F)[*:1]
O=C(c1nc(C2CC2)n2ccccc12)N(CCC(F)(F)F)CC1CC1 C1CC1[*:1] O=C(c1nc(n2ccccc12)[*:1])N(CCC(F)(F)F)CC1CC1
O=C(c1nc(C2CC2)n2ccccc12)N(CCC(F)(F)F)CC1CC1 FC(F)(F)[*:1] O=C(c1nc(C2CC2)n2ccccc12)N(CC[*:1])CC1CC1
O=C(c1nc(C2CC2)n2ccccc12)N(CCC(F)(F)F)CC1CC1 C1CC1[*:1] O=C(c1nc(C2CC2)n2ccccc12)N(CCC(F)(F)F)C[*:1]
O=C(c1nc(C2CC2)n2ccccc12)N(CCC(F)(F)F)CC1CC1 FC(F)(F)CC[*:1] O=C(c1nc(C2CC2)n2ccccc12)N(CC1CC1)[*:1]
O=C(c1nc(C2CC2)n2ccccc12)N(CCC(F)(F)F)CC1CC1 FC(F)(F)C[*:1] O=C(c1nc(C2CC2)n2ccccc12)N(CC1CC1)C[*:1]
COc1ccccc1[C@H]1CC(=O)c2cnc(Nc3ccc(C)cc3)nc2C1 COc1ccccc1[*:1] Cc1ccc(cc1)Nc1ncc2C(=O)C[C@@H](Cc2n1)[*:1]
COc1ccccc1[C@H]1CC(=O)c2cnc(Nc3ccc(C)cc3)nc2C1 Cc1ccc(cc1)[*:1] COc1ccccc1[C@H]1CC(=O)c2cnc(nc2C1)N[*:1]
COc1ccccc1[C@H]1CC(=O)c2cnc(Nc3ccc(C)cc3)nc2C1 Cc1ccc(cc1)N[*:1] COc1ccccc1[C@H]1CC(=O)c2cnc(nc2C1)[*:1]
CCCc1cc(C(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)no1 CCCc1cc(no1)[*:1] CC(C)c1cc([nH]n1)C1CCN(CC1)C(=O)[*:1]
CCCc1cc(C(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)no1 CC(C)[*:1] CCCc1cc(no1)C(=O)N1CCC(CC1)c1cc(n[nH]1)[*:1]
CCCc1cc(C(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)no1 CCC[*:1] CC(C)c1cc([nH]n1)C1CCN(CC1)C(=O)c1cc(on1)[*:1]
CCCc1cc(C(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)no1 CC(C)c1cc([nH]n1)[*:1] CCCc1cc(no1)C(=O)N1CCC(CC1)[*:1]
C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(Br)c(c1)[*:1]
C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)N[*:1])C(=O)Nc1ccc(Br)c(c1)C(F)(F)F
CCc1nc(NCc2ccccc2)c(C#N)c2c1CSC(C)(C)C2 c1ccc(cc1)C[*:1] CCc1nc(N[*:1])c(C#N)c2CC(C)(C)SCc12
CCc1nc(NCc2ccccc2)c(C#N)c2c1CSC(C)(C)C2 c1ccc(cc1)[*:1] CCc1nc(NC[*:1])c(C#N)c2CC(C)(C)SCc12
CCc1nc(NCc2ccccc2)c(C#N)c2c1CSC(C)(C)C2 c1ccc(cc1)CN[*:1] CCc1nc(c(C#N)c2CC(C)(C)SCc12)[*:1]
CCCNC(=O)C[NH2+]C[C@@H]1Cc2ccccc2S1 CCC[*:1] O=C(C[NH2+]C[C@@H]1Cc2ccccc2S1)N[*:1]
CCCNC(=O)C[NH2+]C[C@@H]1Cc2ccccc2S1 CCCNC(=O)[*:1] c1ccc2S[C@H](C[NH2+]C[*:1])Cc2c1
COc1ccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)N2CCOCC2)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@@H]1[*:1])C(=O)c1ccccc1C
COc1ccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)N2CCOCC2)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)N1CCOCC1)C(=O)[*:1]
COc1ccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)N2CCOCC2)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N1C[C@@H](C(=O)N2CCOCC2)[C@@H](C1)[*:1]
O=C1c2cnc3[nH]nc(-c4ccccc4)c3c2C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1c2cnc3[nH]nc(-c4ccccc4)c3c2C(=O)N1C[*:1]
O=C1c2cnc3[nH]nc(-c4ccccc4)c3c2C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1c2cnc3[nH]nc(-c4ccccc4)c3c2C(=O)N1[*:1]
O=C1c2cnc3[nH]nc(-c4ccccc4)c3c2C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1c2cnc3[nH]nc(c3c2C(=O)N1Cc1ccccc1)[*:1]
N#Cc1ccc(/C=C/C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(/C=C/C[NH2+]C[C@@H](N2CCOCC2)[*:1])cc1
N#Cc1ccc(/C=C/C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] N#Cc1ccc(/C=C/C[NH2+]C[C@@H](c2ccccc2)[*:1])cc1
N#Cc1ccc(/C=C/C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)cc1 N#Cc1ccc(cc1)[*:1] C(=C[*:1])C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1
CSc1ccc(-c2onc(N)c2-c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CSc1ccc(cc1)-c1onc(N)c1[*:1]
COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c3cccs3)C1)CC2 c1csc(c1)[*:1] COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CSC[C@@H](C)NC(=O)Nc1ccccc1N1CCCC1 CSC[*:1] C[C@@H](NC(=O)Nc1ccccc1N1CCCC1)[*:1]
CSC[C@@H](C)NC(=O)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] CSC[C@@H](C)NC(=O)Nc1ccccc1[*:1]
NS(=O)(=O)Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 NS(=O)(=O)[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)C[*:1]
NS(=O)(=O)Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 NS(=O)(=O)C[*:1] O=C(Cc1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
NS(=O)(=O)Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] NS(=O)(=O)Cc1ccc(cc1)NC(=O)Cc1ccc(cc1)[*:1]
CC(C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 CC(C)[*:1] O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)[*:1]
CC(C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 CC(C)C(=O)N[*:1] Clc1ccc(cc1)Cc1nnc(s1)[*:1]
Cc1ccc(C(F)(F)F)cc1N/C(N)=N/O N/C(=N\O)N[*:1] Cc1ccc(cc1[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)cc1N/C(N)=N/O FC(F)(F)[*:1] Cc1ccc(cc1N/C(N)=N/O)[*:1]
O[C@@H](CNc1ncnc2[nH]ncc12)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O[C@@H](CNc1ncnc2[nH]ncc12)c1cccc(c1)[*:1]
C[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)NS(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)NS(=O)(=O)[*:1]
C[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)NS(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](CNS(=O)(=O)[*:1])NS(=O)(=O)c1ccc(Cl)s1
CC(C)[N+](C)(C)C[C@@H](O)COc1cccc2ccccc12 CC(C)[*:1] C[N+](C)(C[C@@H](O)COc1cccc2ccccc12)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cn2cccn2)cc1 c1cnn(c1)[*:1] CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(cc1)C[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cn2cccn2)cc1 CCC[*:1] O=C(Nc1ccc(cc1)Cn1cccn1)[C@@H]1CSCN1C(=O)C[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cn2cccn2)cc1 CCCC[*:1] O=C(Nc1ccc(cc1)Cn1cccn1)[C@@H]1CSCN1C(=O)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Cn2cccn2)cc1 c1cnn(c1)C[*:1] CCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CCC[C@H](C[NH3+])[C@]1(O)CCCC[C@@H]1C1CCCCC1 CCC[*:1] [NH3+]C[C@H]([C@]1(O)CCCC[C@@H]1C1CCCCC1)[*:1]
CCC[C@H](C[NH3+])[C@]1(O)CCCC[C@@H]1C1CCCCC1 C1CCC(CC1)[*:1] CCC[C@H](C[NH3+])[C@]1(O)CCCC[C@H]1[*:1]
CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(OC(C)(C)C)cc1 CC(C)(C)[*:1] CCc1c(n[nH]c1NC(=O)c1ccc(cc1)O[*:1])-c1ccncc1
CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(OC(C)(C)C)cc1 c1cc(ccn1)[*:1] CCc1c(n[nH]c1NC(=O)c1ccc(cc1)OC(C)(C)C)[*:1]
CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(OC(C)(C)C)cc1 CC(C)(C)O[*:1] CCc1c(n[nH]c1NC(=O)c1ccc(cc1)[*:1])-c1ccncc1
O=C(COc1ccccc1)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 c1ccc(cc1)O[*:1] O=C(C[*:1])N/N=C\c1ccc(o1)-c1cc(ccc1Cl)[N+](=O)[O-]
O=C(COc1ccccc1)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 c1ccc(cc1)OC[*:1] O=C(N/N=C\c1ccc(o1)-c1cc(ccc1Cl)[N+](=O)[O-])[*:1]
O=C(COc1ccccc1)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 c1ccc(cc1)[*:1] O=C(CO[*:1])N/N=C\c1ccc(o1)-c1cc(ccc1Cl)[N+](=O)[O-]
O=C(COc1ccccc1)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 O=[N+]([O-])[*:1] O=C(COc1ccccc1)N/N=C\c1ccc(o1)-c1cc(ccc1Cl)[*:1]
CCC[NH2+][C@H](Cc1cc(Br)cs1)[C@H]1CN(CC)CCO1 Brc1csc(c1)[*:1] CCC[NH2+][C@H](C[*:1])[C@H]1CN(CC)CCO1
CCC[NH2+][C@H](Cc1cc(Br)cs1)[C@H]1CN(CC)CCO1 CCC[*:1] CCN1CCO[C@H](C1)[C@@H](Cc1cc(Br)cs1)[NH2+][*:1]
OC[C@@H](O)[C@@H](O)/C=N/N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] OC[C@@H](O)[C@@H](O)/C=N/N(C[*:1])c1ccccc1
OC[C@@H](O)[C@@H](O)/C=N/N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)C[*:1] OC[C@@H](O)[C@@H](O)/C=N/N(c1ccccc1)[*:1]
OC[C@@H](O)[C@@H](O)/C=N/N(Cc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] OC[C@@H](O)[C@@H](O)/C=N/N(Cc1ccccc1)[*:1]
CCOc1cc(NCc2ccnc(-n3ccnc3)c2)ccc1[N+](=O)[O-] CCO[*:1] O=[N+]([O-])c1ccc(cc1[*:1])NCc1ccnc(c1)-n1ccnc1
CCOc1cc(NCc2ccnc(-n3ccnc3)c2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1cc(ccc1[*:1])NCc1ccnc(c1)-n1ccnc1
CCOc1cc(NCc2ccnc(-n3ccnc3)c2)ccc1[N+](=O)[O-] c1cn(cn1)[*:1] CCOc1cc(ccc1[N+](=O)[O-])NCc1ccnc(c1)[*:1]
Cc1ncc([C@@H](C)NCc2ccc(-n3ccnc3)c(F)c2)s1 c1cn(cn1)[*:1] Cc1ncc(s1)[C@@H](C)NCc1ccc(c(F)c1)[*:1]
Cc1ncc([C@@H](C)NCc2ccc(-n3ccnc3)c(F)c2)s1 Cc1ncc(s1)[*:1] C[C@@H](NCc1ccc(c(F)c1)-n1ccnc1)[*:1]
C[C@@H]1CN(C2CCN(C(=O)NCCc3c[nH]c4ccccc34)CC2)CCO1 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H]1CN(CCO1)C1CCN(CC1)C(=O)NCC[*:1]
Clc1cccc(-c2ccc(CNc3cnn(-c4ncccn4)c3)o2)c1Cl Clc1cccc(c1Cl)[*:1] c1cnc(nc1)-n1cc(cn1)NCc1ccc(o1)[*:1]
Clc1cccc(-c2ccc(CNc3cnn(-c4ncccn4)c3)o2)c1Cl c1cnc(nc1)[*:1] Clc1cccc(-c2ccc(CNc3cnn(c3)[*:1])o2)c1Cl
Cc1csc(CS(=O)(=O)CC(=O)NCCc2ccccc2C)n1 Cc1ccccc1[*:1] Cc1csc(CS(=O)(=O)CC(=O)NCC[*:1])n1
Cc1csc(CS(=O)(=O)CC(=O)NCCc2ccccc2C)n1 Cc1csc(C[*:1])n1 Cc1ccccc1CCNC(=O)CS(=O)(=O)[*:1]
Cc1csc(CS(=O)(=O)CC(=O)NCCc2ccccc2C)n1 Cc1csc(n1)[*:1] Cc1ccccc1CCNC(=O)CS(=O)(=O)C[*:1]
CCOC(=O)c1coc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1 Cc1cccc(c1)C[*:1] CCOC(=O)c1coc(n1)N1CC[NH+](CC1)[*:1]
CCOC(=O)c1coc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1 CCOC(=O)[*:1] Cc1cccc(c1)C[NH+]1CCN(CC1)c1nc(co1)[*:1]
CCOC(=O)c1coc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1 Cc1cccc(c1)[*:1] CCOC(=O)c1coc(n1)N1CC[NH+](CC1)C[*:1]
CCOc1ccc(Br)cc1[C@H]1NC(=O)NC(C)=C1C(C)=O CCO[*:1] CC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1[*:1]
CCOc1ccc(Br)cc1[C@H]1NC(=O)NC(C)=C1C(C)=O CC(=O)[*:1] CCOc1ccc(Br)cc1[C@H]1NC(=O)NC(C)=C1[*:1]
Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)C(=O)NC[C@H](N1CCOCC1)[*:1]
Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)C(=O)NC[C@H](c1ccccc1Cl)[*:1]
Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[*:1]
C#CCN(CC#C)C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 Cc1cc(C)cc(c1)[*:1] C#CCN(CC#C)C(=O)[C@H]1CCCN(C1)C(=O)[*:1]
C#CCN(CC#C)C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 C#CC[*:1] C#CCN(C(=O)[C@H]1CCCN(C1)C(=O)c1cc(C)cc(C)c1)[*:1]
C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CCCN(c2cnccn2)C1 C1CN(CCO1)C[*:1] C[C@@H](NC(=O)[C@H]1CCCN(C1)c1cnccn1)[*:1]
C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CCCN(c2cnccn2)C1 C1CN(CCO1)[*:1] C[C@@H](C[*:1])NC(=O)[C@H]1CCCN(C1)c1cnccn1
C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CCCN(c2cnccn2)C1 c1cnc(cn1)[*:1] C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CCCN(C1)[*:1]
Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)N1CC[NH2+]C[C@@H]1C
Cc1cnc(C(=O)NC[C@H](O)c2ccc(F)c(F)c2)cn1 Cc1cnc(cn1)[*:1] O=C(NC[C@H](O)c1ccc(F)c(F)c1)[*:1]
FC(F)n1ccnc1CN1CCN(Cc2ccccc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] FC(F)n1ccnc1CN1CCN(CC1)Cc1ccccc1[*:1]
FC(F)n1ccnc1CN1CCN(Cc2ccccc2N2CCOCC2)CC1 FC(F)n1ccnc1C[*:1] c1ccc(c(c1)CN1CCN(CC1)[*:1])N1CCOCC1
FC(F)n1ccnc1CN1CCN(Cc2ccccc2N2CCOCC2)CC1 FC(F)[*:1] c1ccc(c(c1)CN1CCN(CC1)Cc1nccn1[*:1])N1CCOCC1
FC(F)n1ccnc1CN1CCN(Cc2ccccc2N2CCOCC2)CC1 FC(F)n1ccnc1[*:1] c1ccc(c(c1)CN1CCN(CC1)C[*:1])N1CCOCC1
CC(C)(C)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 CC(C)(C)[*:1] O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[*:1]
CC(C)(C)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 CC(C)(C)C(=O)NC[*:1] c1ccc(cc1)[C@H](c1c[nH]c2ccccc12)[*:1]
CC(C)(C)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 c1ccc(cc1)[*:1] CC(C)(C)C(=O)NC[C@H](c1c[nH]c2ccccc12)[*:1]
CC(C)(C)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 CC(C)(C)C(=O)N[*:1] c1ccc(cc1)[C@@H](C[*:1])c1c[nH]c2ccccc12
O=C(Nc1ccc(SC(F)F)cc1)c1sccc1S(=O)(=O)N1CCCCC1 FC(F)[*:1] O=C(Nc1ccc(cc1)S[*:1])c1sccc1S(=O)(=O)N1CCCCC1
O=C(Nc1ccc(SC(F)F)cc1)c1sccc1S(=O)(=O)N1CCCCC1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nc1ccc(cc1)SC(F)F)c1sccc1[*:1]
O=C(Nc1ccc(SC(F)F)cc1)c1sccc1S(=O)(=O)N1CCCCC1 FC(F)S[*:1] O=C(Nc1ccc(cc1)[*:1])c1sccc1S(=O)(=O)N1CCCCC1
Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(S(C)(=O)=O)C1 c1ccc(cc1)C[*:1] Cn1c(nnc1[C@H]1CCCN(C1)S(C)(=O)=O)S[*:1]
Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(S(C)(=O)=O)C1 c1ccc(cc1)[*:1] Cn1c(nnc1[C@H]1CCCN(C1)S(C)(=O)=O)SC[*:1]
Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(S(C)(=O)=O)C1 c1ccc(cc1)CS[*:1] Cn1c(nnc1[*:1])[C@H]1CCCN(C1)S(C)(=O)=O
COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)Nc3c(C)n[nH]c3C)C2=O)cc1 COc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1NC(=O)CN1C(=O)N[C@@](C)(CC[*:1])C1=O
COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)Nc3c(C)n[nH]c3C)C2=O)cc1 COc1ccc(cc1)C[*:1] Cc1n[nH]c(C)c1NC(=O)CN1C(=O)N[C@@](C)(C[*:1])C1=O
COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)Nc3c(C)n[nH]c3C)C2=O)cc1 Cc1n[nH]c(C)c1[*:1] COc1ccc(cc1)CC[C@]1(C)NC(=O)N(CC(=O)N[*:1])C1=O
CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 Clc1ccc(Cl)c(c1)O[*:1] CC[C@@H](C(=O)NNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2)[*:1]
CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 Clc1ccc(Cl)c(c1)[*:1] CC[C@@H](O[*:1])C(=O)NNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2
CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 O=C([O-])[*:1] CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@H]1[C@@H]([C@H]2CC[C@@H]1C2)[*:1]
CCOC(=O)c1s/c(=N/C(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)[nH]c1C CCOC(=O)[*:1] Cc1[nH]/c(=N\C(=O)Cn2nc(ccc2=O)-c2ccccc2Cl)sc1[*:1]
CCOC(=O)c1s/c(=N/C(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)[nH]c1C Clc1ccccc1[*:1] CCOC(=O)c1s/c(=N/C(=O)Cn2nc(ccc2=O)[*:1])[nH]c1C
CCOC(=O)c1coc(N2CCC([NH+]3CCC(O)CC3)CC2)n1 CCOC(=O)[*:1] OC1CC[NH+](CC1)C1CCN(CC1)c1nc(co1)[*:1]
COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(=C(C)C)C(=O)N4)CC2)c1 COc1cccc(c1)[*:1] CC(C)=C1C(=O)Nc2ccc(cc21)S(=O)(=O)N1CCN(CC1)[*:1]
COc1ccccc1Nc1ncnc(Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1ccccc1Nc1ncnc(Cl)c1[*:1]
CS(=O)(=O)c1ccccc1NCc1ccc(C2CC2)cc1 CS(=O)(=O)[*:1] c1ccc(c(c1)NCc1ccc(cc1)C1CC1)[*:1]
CS(=O)(=O)c1ccccc1NCc1ccc(C2CC2)cc1 C1CC1[*:1] CS(=O)(=O)c1ccccc1NCc1ccc(cc1)[*:1]
O=C1CCCN1CCC(=O)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 O=C1CCCN1C[*:1] O=C(C[*:1])N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1
O=C1CCCN1CCC(=O)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 O=C1CCCN1[*:1] O=C(CC[*:1])N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1
CC(C)C[C@H](CNc1nc(-c2ccccc2)cs1)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNc1nc(cs1)-c1ccccc1)[*:1]
CC(C)C[C@H](CNc1nc(-c2ccccc2)cs1)C(=O)[O-] CC(C)C[*:1] O=C([O-])[C@@H](CNc1nc(cs1)-c1ccccc1)[*:1]
CC(C)C[C@H](CNc1nc(-c2ccccc2)cs1)C(=O)[O-] c1ccc(cc1)[*:1] CC(C)C[C@H](CNc1nc(cs1)[*:1])C(=O)[O-]
CC(C)C[C@H](CNc1nc(-c2ccccc2)cs1)C(=O)[O-] CC(C)[*:1] O=C([O-])[C@@H](CNc1nc(cs1)-c1ccccc1)C[*:1]
Cc1ccc(F)c(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 c1csc(c1)[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)NCC1CC[NH+](CC1)C[*:1]
Cc1ccc(F)c(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 Cc1ccc(F)c(c1)[*:1] O=C(NCC1CC[NH+](CC1)Cc1cccs1)C(=O)N[*:1]
Cc1ccc(F)c(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 c1csc(c1)C[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)NCC1CC[NH+](CC1)[*:1]
CCOc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OC O=[N+]([O-])[*:1] CCOc1cc(ccc1OC)C(=O)Nc1nc(cs1)-c1cccc(c1)[*:1]
CCOc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OC O=[N+]([O-])c1cccc(c1)[*:1] CCOc1cc(ccc1OC)C(=O)Nc1nc(cs1)[*:1]
CCOc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C(=O)Nc1nc(cs1)-c1cccc(c1)[N+](=O)[O-]
CCSc1nc2n(n1)[C@H](c1cc(OC)ccc1OC)[C@H]1C(=O)CC(C)(C)CC1=N2 CCS[*:1] COc1ccc(OC)c(c1)[C@@H]1[C@H]2C(=O)CC(C)(C)CC2=Nc2nc(nn21)[*:1]
CCOC(=O)c1ccc(N2C[C@H](O)C[C@@H]2C2CCCCC2)nc1 CCOC(=O)[*:1] O[C@@H]1C[C@H](C2CCCCC2)N(C1)c1ccc(cn1)[*:1]
CCOC(=O)c1ccc(N2C[C@H](O)C[C@@H]2C2CCCCC2)nc1 C1CCC(CC1)[*:1] CCOC(=O)c1ccc(nc1)N1C[C@H](O)C[C@H]1[*:1]
COc1cc(/C=C/[N+](=O)[O-])c(OC)c2c1OCO2 O=[N+]([O-])[*:1] COc1cc(C=C[*:1])c(OC)c2OCOc12
COc1cc(/C=C/[N+](=O)[O-])c(OC)c2c1OCO2 O=[N+]([O-])C=C[*:1] COc1cc(c(OC)c2OCOc12)[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N O=[N+]([O-])[*:1] CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)cc(c1N)[*:1]
CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N CCc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)c1cc(F)cc(c1N)[N+](=O)[O-]
C[C@@H](c1ccco1)n1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])[*:1] C[C@@H](c1ccco1)n1c(nc2cnccc21)SC[*:1]
C[C@@H](c1ccco1)n1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])C[*:1] C[C@@H](c1ccco1)n1c(nc2cnccc21)S[*:1]
C[C@@H](c1ccco1)n1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])CS[*:1] C[C@@H](c1ccco1)n1c(nc2cnccc21)[*:1]
C[C@@H](c1ccco1)n1c(SCC(=O)[O-])nc2cnccc21 C[C@@H](c1ccco1)[*:1] O=C([O-])CSc1nc2cnccc2n1[*:1]
C[C@@H](c1ccco1)n1c(SCC(=O)[O-])nc2cnccc21 c1coc(c1)[*:1] C[C@@H](n1c(nc2cnccc21)SCC(=O)[O-])[*:1]
CCc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)sc1C CCc1cc(sc1C)[*:1] O=C1CN(C(=O)COC(=O)[*:1])c2ccccc2N1
CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1NS(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1NS(=O)(=O)[*:1]
CSCC(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 CSC[*:1] CC(C)(C)c1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)[*:1]
CSCC(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 CC(C)(C)[*:1] CSCC(=O)N1CCO[C@@H](C1)c1nc(n[nH]1)[*:1]
CCc1noc(CC)c1CC(=O)Nc1ccc(C(=O)OC)cc1O COC(=O)[*:1] CCc1noc(CC)c1CC(=O)Nc1ccc(cc1O)[*:1]
Cc1ccc(CNc2c(-c3ccc4c(c3)CCCC4)c(=O)c2=O)cc1 Cc1ccc(cc1)C[*:1] O=c1c(N[*:1])c(-c2ccc3CCCCc3c2)c1=O
Cc1ccc(CNc2c(-c3ccc4c(c3)CCCC4)c(=O)c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c(NC[*:1])c(-c2ccc3CCCCc3c2)c1=O
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cnn(-c2ccncc2)c1C CCS(=O)(=O)C[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N(C)[C@H](C)[*:1]
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cnn(-c2ccncc2)c1C CCS(=O)(=O)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N(C)[C@H](C)C[*:1]
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cnn(-c2ccncc2)c1C c1cc(ccn1)[*:1] CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cnn(c1C)[*:1]
Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1 Brc1ccc(cc1)C[*:1] Cc1cc(on1)-c1ccc(C)c(c1)S(=O)(=O)N[*:1]
Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1 Brc1ccc(cc1)[*:1] Cc1cc(on1)-c1ccc(C)c(c1)S(=O)(=O)NC[*:1]
Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1 Cc1cc(on1)[*:1] Cc1ccc(cc1S(=O)(=O)NCc1ccc(Br)cc1)[*:1]
CN(C)c1ccc(C(=O)N2CCC(Cn3cc[nH+]c3)CC2)cc1 CN(C)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)Cn1cc[nH+]c1
C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1N1CCCC1)c1ccc(F)cc1 C1CCN(C1)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1[*:1])c1ccc(F)cc1
C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1N1CCCC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1N1CCCC1)[*:1]
CCC([NH3+])(CC)[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] CCC([NH3+])(CC)[C@@H]1CCC[C@@H](C1)[*:1]
C[C@@H](O)CCN(C)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@@H](O)CCN(C)C(=O)c1ccccc1-c1nc(no1)[*:1]
C[C@@H](O)CCN(C)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 C[C@@H](O)[*:1] CN(CC[*:1])C(=O)c1ccccc1-c1nc(no1)C(C)(C)C
C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[*:1]
CC[C@@H](C)[C@H]1NC(=O)CN(c2ccn(C)n2)C1=O Cn1ccc(n1)[*:1] CC[C@@H](C)[C@H]1NC(=O)CN(C1=O)[*:1]
CC[C@@H](C)[C@H]1NC(=O)CN(c2ccn(C)n2)C1=O CC[C@@H](C)[*:1] Cn1ccc(n1)N1CC(=O)N[C@@H](C1=O)[*:1]
COc1ccc(C(C)=O)cc1CC(=O)Nc1ccnn1Cc1ccc(C)o1 Cc1ccc(o1)[*:1] COc1ccc(cc1CC(=O)Nc1ccnn1C[*:1])C(C)=O
COc1ccc(C(C)=O)cc1CC(=O)Nc1ccnn1Cc1ccc(C)o1 CC(=O)[*:1] COc1ccc(cc1CC(=O)Nc1ccnn1Cc1ccc(C)o1)[*:1]
COc1ccc(C(C)=O)cc1CC(=O)Nc1ccnn1Cc1ccc(C)o1 Cc1ccc(C[*:1])o1 COc1ccc(cc1CC(=O)Nc1ccnn1[*:1])C(C)=O
COc1ccccc1C[C@@H](C)[C@H](O)C(C)C CC(C)[C@@H](O)[*:1] COc1ccccc1C[C@@H](C)[*:1]
COc1ccccc1C[C@@H](C)[C@H](O)C(C)C CC(C)[*:1] COc1ccccc1C[C@@H](C)[C@H](O)[*:1]
C[C@H](Sc1ccccc1)c1nc(-c2cnccn2)no1 c1ccc(cc1)[*:1] C[C@H](S[*:1])c1nc(no1)-c1cnccn1
C[C@H](Sc1ccccc1)c1nc(-c2cnccn2)no1 c1cnc(cn1)[*:1] C[C@H](Sc1ccccc1)c1nc(no1)[*:1]
C=CCC[C@@H](O)[C@](C)(CC)[NH+](C)C C=CCC[*:1] CC[C@@](C)([C@H](O)[*:1])[NH+](C)C
C=CCC[C@@H](O)[C@](C)(CC)[NH+](C)C C=CC[*:1] CC[C@@](C)([C@H](O)C[*:1])[NH+](C)C
O=C(CCc1ccc(F)c(F)c1)N[C@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(CCc1ccc(F)c(F)c1)N[C@H]1CCN(C1=O)[*:1]
O=C(CCc1ccc(F)c(F)c1)N[C@H]1CCN(c2ccccc2)C1=O Fc1ccc(cc1F)[*:1] O=C(CC[*:1])N[C@H]1CCN(C1=O)c1ccccc1
COc1ccc([N+](=O)[O-])cc1C(=O)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] COc1ccc(cc1C(=O)N(CCC(F)(F)F)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] COc1ccc(cc1C(=O)N(C[*:1])C1CCC1)[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] COc1ccc(cc1C(=O)N(CC[*:1])C1CCC1)[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C(=O)N(CCC(F)(F)F)C1CCC1 O=[N+]([O-])[*:1] COc1ccc(cc1C(=O)N(CCC(F)(F)F)C1CCC1)[*:1]
COc1ccc([N+](=O)[O-])cc1C(=O)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] COc1ccc(cc1C(=O)N(C1CCC1)[*:1])[N+](=O)[O-]
COc1ccccc1-c1nc(-c2cccc(NC(=O)c3cccs3)c2)no1 O=C(N[*:1])c1cccs1 COc1ccccc1-c1nc(no1)-c1cccc(c1)[*:1]
COc1ccccc1-c1nc(-c2cccc(NC(=O)c3cccs3)c2)no1 c1csc(c1)[*:1] COc1ccccc1-c1nc(no1)-c1cccc(c1)NC(=O)[*:1]
COc1ccccc1-c1nc(-c2cccc(NC(=O)c3cccs3)c2)no1 COc1ccccc1[*:1] O=C(Nc1cccc(c1)-c1noc(n1)[*:1])c1cccs1
Cc1cccc(C(=O)N2CCC[C@H]2c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2C)c1 Cc1cccc(c1)[*:1] Cn1c(nnc1[C@@H]1CCCN1C(=O)[*:1])SCC(=O)Nc1ccc(cc1)C(=O)[O-]
Cc1cccc(C(=O)N2CCC[C@H]2c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2C)c1 O=C([O-])[*:1] Cc1cccc(c1)C(=O)N1CCC[C@H]1c1nnc(SCC(=O)Nc2ccc(cc2)[*:1])n1C
Cc1cccc(C(=O)N2CCC[C@H]2c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2C)c1 O=C([O-])c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)N1CCC[C@H]1c1nnc(SCC(=O)N[*:1])n1C
CCC(=O)N1CCC[C@H](C(=O)N(C)CCOC)C1 COC[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)N(C)C[*:1]
CCC(=O)N1CCC[C@H](C(=O)N(C)CCOC)C1 COCC[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)N(C)[*:1]
C#CCOc1ccc(NC(=O)N2CCC[C@@H](COCC)C2)cc1 C#CCO[*:1] CCOC[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1)[*:1]
C#CCOc1ccc(NC(=O)N2CCC[C@@H](COCC)C2)cc1 CCOC[*:1] C#CCOc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)[*:1]
C#CCOc1ccc(NC(=O)N2CCC[C@@H](COCC)C2)cc1 C#CC[*:1] CCOC[C@@H]1CCCN(C1)C(=O)Nc1ccc(cc1)O[*:1]
C#CCOc1ccc(NC(=O)N2CCC[C@@H](COCC)C2)cc1 CCO[*:1] C#CCOc1ccc(cc1)NC(=O)N1CCC[C@H](C1)C[*:1]
CCCC(=O)Nc1cccc(NC(=O)Cc2cc(=O)oc3cc(OC)ccc23)c1 CCC[*:1] COc1ccc2c(cc(=O)oc2c1)CC(=O)Nc1cccc(c1)NC(=O)[*:1]
CCCC(=O)Nc1cccc(NC(=O)Cc2cc(=O)oc3cc(OC)ccc23)c1 CCCC(=O)N[*:1] COc1ccc2c(cc(=O)oc2c1)CC(=O)Nc1cccc(c1)[*:1]
Clc1cccc2c1OCC[C@@H]2NCCc1nncn1C1CC1 C1CC1[*:1] Clc1cccc2c1OCC[C@@H]2NCCc1nncn1[*:1]
Cc1ccc([C@H]2[C@@H](C(=O)Nc3cnn(CC[NH+](C)C)c3)CCC(=O)N2C)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)CC[C@H](C(=O)Nc2cnn(c2)CC[NH+](C)C)[C@@H]1[*:1]
Cc1ccc(-n2cc(C(=O)NCc3ccc(Br)cc3)nn2)cc1C Brc1ccc(cc1)[*:1] Cc1ccc(cc1C)-n1cc(nn1)C(=O)NC[*:1]
Cc1ccc(-n2cc(C(=O)NCc3ccc(Br)cc3)nn2)cc1C Cc1ccc(cc1C)[*:1] O=C(NCc1ccc(Br)cc1)c1cn(nn1)[*:1]
Cc1ccc(-n2cc(C(=O)NCc3ccc(Br)cc3)nn2)cc1C Brc1ccc(cc1)C[*:1] Cc1ccc(cc1C)-n1cc(nn1)C(=O)N[*:1]
CCOCCn1/c(=N/C(=O)Cc2cccs2)sc2cc(S(N)(=O)=O)ccc21 CCO[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)Cc1cccs1)n2CC[*:1]
CCOCCn1/c(=N/C(=O)Cc2cccs2)sc2cc(S(N)(=O)=O)ccc21 CCOC[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)Cc1cccs1)n2C[*:1]
CCOCCn1/c(=N/C(=O)Cc2cccs2)sc2cc(S(N)(=O)=O)ccc21 CCOCC[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\C(=O)Cc1cccs1)n2[*:1]
CCOCCn1/c(=N/C(=O)Cc2cccs2)sc2cc(S(N)(=O)=O)ccc21 c1csc(c1)C[*:1] CCOCCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(N)(=O)=O
CCOCCn1/c(=N/C(=O)Cc2cccs2)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CCOCCn1/c(=N/C(=O)Cc2cccs2)sc2cc(ccc21)[*:1]
CCOCCn1/c(=N/C(=O)Cc2cccs2)sc2cc(S(N)(=O)=O)ccc21 c1csc(c1)[*:1] CCOCCn1/c(=N/C(=O)C[*:1])sc2cc(ccc21)S(N)(=O)=O
Cc1ccc(OCc2nc(C)no2)c(C[NH2+]C(C)(C)C)n1 CC(C)(C)[*:1] Cc1ccc(OCc2nc(C)no2)c(C[NH2+][*:1])n1
Cc1ccc(OCc2nc(C)no2)c(C[NH2+]C(C)(C)C)n1 Cc1noc(C[*:1])n1 Cc1ccc(O[*:1])c(C[NH2+]C(C)(C)C)n1
Cc1ccc(OCc2nc(C)no2)c(C[NH2+]C(C)(C)C)n1 Cc1noc(n1)[*:1] Cc1ccc(OC[*:1])c(C[NH2+]C(C)(C)C)n1
CN1C(=O)N=C(N)[C@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CN1C(=O)N=C(N)[C@H]1c1cccc(c1)[*:1]
O=c1c2cccnc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1cccs1 c1csc(c1)C[*:1] O=c1c2cccnc2n(Cc2ccc(Cl)cc2)c(=O)n1[*:1]
O=c1c2cccnc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1cccs1 Clc1ccc(cc1)C[*:1] O=c1c2cccnc2n(c(=O)n1Cc1cccs1)[*:1]
O=c1c2cccnc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1cccs1 Clc1ccc(cc1)[*:1] O=c1c2cccnc2n(C[*:1])c(=O)n1Cc1cccs1
O=c1c2cccnc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1cccs1 c1csc(c1)[*:1] O=c1c2cccnc2n(Cc2ccc(Cl)cc2)c(=O)n1C[*:1]
COCCOc1ccccc1NCc1c(C)nc2sccn12 COCC[*:1] Cc1nc2sccn2c1CNc1ccccc1O[*:1]
COCCOc1ccccc1NCc1c(C)nc2sccn12 COC[*:1] Cc1nc2sccn2c1CNc1ccccc1OC[*:1]
COCCOc1ccccc1NCc1c(C)nc2sccn12 COCCO[*:1] Cc1nc2sccn2c1CNc1ccccc1[*:1]
CC[C@H](CC(=O)N1CCOC[C@@H]1C(N)=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CC(=O)N1CCOC[C@@H]1C(N)=O)[*:1]
CC[C@H](CC(=O)N1CCOC[C@@H]1C(N)=O)c1ccccc1 NC(=O)[*:1] CC[C@H](CC(=O)N1CCOC[C@H]1[*:1])c1ccccc1
O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COc1cccc(c1)[N+](=O)[O-])NC[C@H](O)[*:1]
O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](O)c1ccc(F)cc1 O=[N+]([O-])[*:1] O=C(COc1cccc(c1)[*:1])NC[C@H](O)c1ccc(F)cc1
CCOC(=O)c1ccc(NCc2noc(C(C)C)n2)cc1 CCOC(=O)[*:1] CC(C)c1nc(CNc2ccc(cc2)[*:1])no1
CCOC(=O)c1ccc(NCc2noc(C(C)C)n2)cc1 CC(C)[*:1] CCOC(=O)c1ccc(cc1)NCc1noc(n1)[*:1]
C[C@@H](CNC(=O)c1cccc(-n2cccn2)n1)N1CCOC[C@H]1C c1cnn(c1)[*:1] C[C@@H](CNC(=O)c1cccc(n1)[*:1])N1CCOC[C@H]1C
O=C([O-])CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C([O-])CCCNC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C([O-])CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 O=C([O-])[*:1] O=C(NCCC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
O=C([O-])CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 O=C([O-])C[*:1] O=C(NCC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
O=C([O-])CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 O=C([O-])CC[*:1] O=C(NC[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
O=C([O-])CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 O=C([O-])CCC[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(F)cc1
C[NH+](CCN1CCCC1=O)CC1=Cc2cc(Cl)ccc2OC1 O=C1CCCN1[*:1] C[NH+](CC[*:1])CC1=Cc2cc(Cl)ccc2OC1
C[NH+](CCN1CCCC1=O)CC1=Cc2cc(Cl)ccc2OC1 O=C1CCCN1C[*:1] C[NH+](CC1=Cc2cc(Cl)ccc2OC1)C[*:1]
CCc1cccc(C)c1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 Clc1ccc(cc1)[*:1] CCc1cccc(C)c1NC(=O)c1ccc(cc1)N(C[*:1])S(C)(=O)=O
CCc1cccc(C)c1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 CCc1cccc(C)c1[*:1] CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(cc1)C(=O)N[*:1]
CCc1cccc(C)c1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 Clc1ccc(cc1)C[*:1] CCc1cccc(C)c1NC(=O)c1ccc(cc1)N(S(C)(=O)=O)[*:1]
O=C(C[NH+](CC(F)(F)F)C1CCCC1)Nc1ccccc1 C1CCC(C1)[*:1] O=C(C[NH+](CC(F)(F)F)[*:1])Nc1ccccc1
O=C(C[NH+](CC(F)(F)F)C1CCCC1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[NH+](CC(F)(F)F)C1CCCC1)N[*:1]
O=C(C[NH+](CC(F)(F)F)C1CCCC1)Nc1ccccc1 FC(F)(F)[*:1] O=C(C[NH+](C[*:1])C1CCCC1)Nc1ccccc1
CCNC(=O)c1ccnc(N2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)c1 CCNC(=O)[*:1] COc1ccc2cc(ccc2c1)[C@H]1CN(CCO1)c1cc(ccn1)[*:1]
CC[NH2+][C@@H](Cc1ccc(C)cc1)[C@@H]1CN2CCC[C@@H]2CO1 Cc1ccc(cc1)[*:1] CC[NH2+][C@@H](C[*:1])[C@@H]1CN2CCC[C@@H]2CO1
O=C1[C@@H](Nc2ccc3nnc(C4CC4)n3n2)CCCN1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCCN1C[*:1])Nc1ccc2nnc(C3CC3)n2n1
O=C1[C@@H](Nc2ccc3nnc(C4CC4)n3n2)CCCN1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@H](CCCN1[*:1])Nc1ccc2nnc(C3CC3)n2n1
O=C1[C@@H](Nc2ccc3nnc(C4CC4)n3n2)CCCN1Cc1ccccc1 C1CC1[*:1] O=C1[C@H](CCCN1Cc1ccccc1)Nc1ccc2nnc(n2n1)[*:1]
Cc1cc2cc(C(=O)N3CC[C@@H](CN4CCOCC4)C3)oc2cc1C C1CN(CCO1)C[*:1] Cc1cc2cc(oc2cc1C)C(=O)N1CC[C@@H](C1)[*:1]
Cc1cc2cc(C(=O)N3CC[C@@H](CN4CCOCC4)C3)oc2cc1C C1CN(CCO1)[*:1] Cc1cc2cc(oc2cc1C)C(=O)N1CC[C@H](C1)C[*:1]
CN(C)S(=O)(=O)c1ccccc1Nn1cccc1 c1ccn(c1)N[*:1] CN(C)S(=O)(=O)c1ccccc1[*:1]
CN(C)S(=O)(=O)c1ccccc1Nn1cccc1 CN(C)S(=O)(=O)[*:1] c1ccc(c(c1)Nn1cccc1)[*:1]
CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N\NC(=O)c5ccncc5)[C@@]4(C)CC[C@H]32)C1 c1cc(ccn1)[*:1] CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N\NC(=O)[*:1])[C@@]4(C)CC[C@H]32)C1
CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CC/C(=N\NC(=O)c5ccncc5)[C@@]4(C)CC[C@H]32)C1 CC(=O)O[*:1] C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@H](CC[C@]43C)[*:1])[C@@H]1CC/C2=N\NC(=O)c1ccncc1
O=C([O-])[C@@H]1CCCCC[C@H]1NS(=O)(=O)C(F)F O=C([O-])[*:1] O=S(=O)(N[C@@H]1CCCCC[C@H]1[*:1])C(F)F
O=C([O-])[C@@H]1CCCCC[C@H]1NS(=O)(=O)C(F)F FC(F)[*:1] O=C([O-])[C@@H]1CCCCC[C@H]1NS(=O)(=O)[*:1]
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(C)Cc2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] Cc1cc(no1)NC(=O)[C@@H](C)SCC(=O)N(C)C[*:1]
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(C)Cc2cccc(Cl)c2)no1 Clc1cccc(c1)C[*:1] Cc1cc(no1)NC(=O)[C@@H](C)SCC(=O)N(C)[*:1]
Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(C)Cc2cccc(Cl)c2)no1 Cc1cc(no1)[*:1] C[C@@H](SCC(=O)N(C)Cc1cccc(Cl)c1)C(=O)N[*:1]
CCCOCC(=O)N[C@H](C)c1cnn(-c2cccc3ccccc23)c1C CCCOCC(=O)N[*:1] Cc1c(cnn1-c1cccc2ccccc12)[C@@H](C)[*:1]
CCCOCC(=O)N[C@H](C)c1cnn(-c2cccc3ccccc23)c1C CCC[*:1] Cc1c(cnn1-c1cccc2ccccc12)[C@@H](C)NC(=O)CO[*:1]
CCCOCC(=O)N[C@H](C)c1cnn(-c2cccc3ccccc23)c1C CCCOC[*:1] Cc1c(cnn1-c1cccc2ccccc12)[C@@H](C)NC(=O)[*:1]
CCCOCC(=O)N[C@H](C)c1cnn(-c2cccc3ccccc23)c1C CCCO[*:1] Cc1c(cnn1-c1cccc2ccccc12)[C@@H](C)NC(=O)C[*:1]
CCOC[C@@H]1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 CCOC[*:1] O=C(Nc1ccc(F)cc1)c1nnc(CN2CC[C@H](C2)[*:1])s1
CCOC[C@@H]1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 CCO[*:1] O=C(Nc1ccc(F)cc1)c1nnc(CN2CC[C@H](C2)C[*:1])s1
CCOC[C@@H]1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 Fc1ccc(cc1)[*:1] CCOC[C@@H]1CCN(Cc2nnc(s2)C(=O)N[*:1])C1
CC[NH2+][C@H](c1cscc1Br)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] CC[NH2+][C@H](c1cscc1Br)[*:1]
Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)c2C)cc1Cl O=C(N1CCOCC1)[*:1] Cc1ccc(cc1Cl)-n1nc(C)c(CC(=O)Nc2ccc(cc2)[*:1])c1C
Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)c2C)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1nn(c(C)c1CC(=O)Nc1ccc(cc1)C(=O)N1CCOCC1)[*:1]
C[C@H](OCC1CC1)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 C1CC1[*:1] C[C@H](OC[*:1])C(=O)N1CCN(CC1)C(=O)Cc1ccccc1F
C[C@H](OCC1CC1)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1C[*:1] C[C@H](OCC1CC1)C(=O)N1CCN(CC1)C(=O)[*:1]
C[C@H](OCC1CC1)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 C1CC1C[*:1] C[C@H](O[*:1])C(=O)N1CCN(CC1)C(=O)Cc1ccccc1F
C[C@H](OCC1CC1)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 Fc1ccccc1[*:1] C[C@H](OCC1CC1)C(=O)N1CCN(CC1)C(=O)C[*:1]
C[C@H](OCC1CC1)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 C1CC1CO[*:1] C[C@H](C(=O)N1CCN(CC1)C(=O)Cc1ccccc1F)[*:1]
Cc1ccc(C)c(-n2nc(C)c(CN3CCO[C@H](C(N)=O)C3)c2Cl)c1 Cc1ccc(C)c(c1)[*:1] Cc1nn(c(Cl)c1CN1CCO[C@@H](C1)C(N)=O)[*:1]
Cc1ccc(C)c(-n2nc(C)c(CN3CCO[C@H](C(N)=O)C3)c2Cl)c1 NC(=O)[*:1] Cc1ccc(C)c(c1)-n1nc(C)c(CN2CCO[C@H](C2)[*:1])c1Cl
CC(C)(C)NC(=O)CNC(=O)c1ccc2cc[nH]c2c1 CC(C)(C)[*:1] O=C(CNC(=O)c1ccc2cc[nH]c2c1)N[*:1]
CCn1c(=S)sc2c(N3CC[NH+](C)CC3)nc(-c3ccccc3)nc21 c1ccc(cc1)[*:1] CCn1c(=S)sc2c(nc(nc21)[*:1])N1CC[NH+](C)CC1
CC(C)Cc1cc(C(=O)NC[C@@](C)(O)C(C)C)[nH]n1 CC(C)C[*:1] CC(C)[C@](C)(O)CNC(=O)c1cc(n[nH]1)[*:1]
CC(C)Cc1cc(C(=O)NC[C@@](C)(O)C(C)C)[nH]n1 CC(C)[*:1] CC(C)[C@](C)(O)CNC(=O)c1cc(C[*:1])n[nH]1
CC(C)Cc1cc(C(=O)NC[C@@](C)(O)C(C)C)[nH]n1 CC(C)[*:1] CC(C)Cc1cc([nH]n1)C(=O)NC[C@@](C)(O)[*:1]
CC(C)Cc1cc(C(=O)NC[C@@](C)(O)C(C)C)[nH]n1 CC(C)[C@@](C)(O)[*:1] CC(C)Cc1cc([nH]n1)C(=O)NC[*:1]
CC[C@@H](NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)[*:1]
C=CCOc1ccc(OC(=O)[C@@H]2CC(=O)N(CC)C2)cc1 C=CC[*:1] CCN1C[C@@H](CC1=O)C(=O)Oc1ccc(cc1)O[*:1]
C=CCOc1ccc(OC(=O)[C@@H]2CC(=O)N(CC)C2)cc1 C=CCO[*:1] CCN1C[C@@H](CC1=O)C(=O)Oc1ccc(cc1)[*:1]
COc1ccc2c(c1)[C@@]([NH3+])(CCC[C@H]1CCCO1)CCC2 C1CO[C@H](C1)C[*:1] COc1ccc2CCC[C@]([NH3+])(CC[*:1])c2c1
COc1ccc2c(c1)[C@@]([NH3+])(CCC[C@H]1CCCO1)CCC2 C1CO[C@H](C1)CC[*:1] COc1ccc2CCC[C@]([NH3+])(C[*:1])c2c1
COc1ccc2c(c1)[C@@]([NH3+])(CCC[C@H]1CCCO1)CCC2 C1CO[C@H](C1)[*:1] COc1ccc2CCC[C@]([NH3+])(CCC[*:1])c2c1
COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1ccc2O[C@@]3(C)C[C@@H](c2c1)[C@H](C(=O)N3C)S(=O)(=O)[*:1]
COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccccc1 O=S(=O)(c1ccccc1)[*:1] COc1ccc2O[C@@]3(C)C[C@@H](c2c1)[C@@H](C(=O)N3C)[*:1]
COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(c2cccc[nH+]2)CC1 COC(=O)[*:1] COc1cccc2[nH]c(c(NC(=O)CN3CCN(CC3)c3cccc[nH+]3)c12)[*:1]
CS(=O)(=O)c1ccc(-n2cc(-c3ccccn3)cn2)cc1 CS(=O)(=O)[*:1] c1ccc(nc1)-c1cnn(c1)-c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(-n2cc(-c3ccccn3)cn2)cc1 c1ccc(nc1)[*:1] CS(=O)(=O)c1ccc(cc1)-n1cc(cn1)[*:1]
CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)o1 C1CC1[*:1] CS(=O)(=O)Cc1ccc(o1)C(=O)Nc1ccc(F)cc1OC[*:1]
CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)o1 CS(=O)(=O)C[*:1] O=C(Nc1ccc(F)cc1OCC1CC1)c1ccc(o1)[*:1]
CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)o1 C1CC1CO[*:1] CS(=O)(=O)Cc1ccc(o1)C(=O)Nc1ccc(F)cc1[*:1]
CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)o1 C1CC1C[*:1] CS(=O)(=O)Cc1ccc(o1)C(=O)Nc1ccc(F)cc1O[*:1]
CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)o1 CS(=O)(=O)[*:1] O=C(Nc1ccc(F)cc1OCC1CC1)c1ccc(C[*:1])o1
O=C(CCOCC(F)(F)F)NCC(=O)N1CCc2ccccc21 FC(F)(F)C[*:1] O=C(CCO[*:1])NCC(=O)N1CCc2ccccc21
O=C(CCOCC(F)(F)F)NCC(=O)N1CCc2ccccc21 FC(F)(F)CO[*:1] O=C(CC[*:1])NCC(=O)N1CCc2ccccc21
O=C(CCOCC(F)(F)F)NCC(=O)N1CCc2ccccc21 FC(F)(F)COC[*:1] O=C(C[*:1])NCC(=O)N1CCc2ccccc21
O=C(CCOCC(F)(F)F)NCC(=O)N1CCc2ccccc21 FC(F)(F)[*:1] O=C(CCOC[*:1])NCC(=O)N1CCc2ccccc21
Nc1c(C(=O)Nc2ccc(Cl)cc2)nnn1Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Nc1c(nnn1[*:1])C(=O)Nc1ccc(Cl)cc1
Nc1c(C(=O)Nc2ccc(Cl)cc2)nnn1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nc1c(nnn1Cc1ccc(Cl)cc1)C(=O)N[*:1]
Nc1c(C(=O)Nc2ccc(Cl)cc2)nnn1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nc1c(nnn1C[*:1])C(=O)Nc1ccc(Cl)cc1
CCOc1cc2c(cc1OCC)[C@@H](c1ccc3ccccc3c1)[NH2+]CC2 CCO[*:1] CCOc1cc2c(cc1[*:1])CC[NH2+][C@@H]2c1ccc2ccccc2c1
CCOc1cc2c(cc1OCC)[C@@H](c1ccc3ccccc3c1)[NH2+]CC2 CCO[*:1] CCOc1cc2CC[NH2+][C@H](c3ccc4ccccc4c3)c2cc1[*:1]
C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)n1cccn1 FC(F)(F)[*:1] C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)[*:1])n1cccn1
C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)[*:1]
C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)n1cccn1 Clc1ccc(cc1)[*:1] C[C@@H](C(=O)N[C@@H](C(F)(F)F)[*:1])n1cccn1
C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)n1cccn1 C[C@@H](n1cccn1)[*:1] O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)[*:1]
CCCCS(=O)(=O)NCC(=O)N1CCCCC[C@H]1c1cccn1C CCCCS(=O)(=O)N[*:1] Cn1cccc1[C@@H]1CCCCCN1C(=O)C[*:1]
CCCCS(=O)(=O)NCC(=O)N1CCCCC[C@H]1c1cccn1C Cn1cccc1[*:1] CCCCS(=O)(=O)NCC(=O)N1CCCCC[C@@H]1[*:1]
CCCCS(=O)(=O)NCC(=O)N1CCCCC[C@H]1c1cccn1C CCC[*:1] Cn1cccc1[C@@H]1CCCCCN1C(=O)CNS(=O)(=O)C[*:1]
CCCCS(=O)(=O)NCC(=O)N1CCCCC[C@H]1c1cccn1C CCCC[*:1] Cn1cccc1[C@@H]1CCCCCN1C(=O)CNS(=O)(=O)[*:1]
CN(C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)[C@@H](c1ccc(F)cc1)C1CC1 C1CC1[*:1] CN(C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[C@@H](c1ccc(F)cc1)[*:1]
CN(C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)[C@@H](c1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] CN(C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[C@@H](C1CC1)[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)c2ccnc(OC(C)(C)C)c2)o1 CCc1ccc(o1)[*:1] CC(C)(C)Oc1cc(ccn1)C(=O)N1CCOC[C@H]1[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)c2ccnc(OC(C)(C)C)c2)o1 CC(C)(C)[*:1] CCc1ccc(o1)[C@@H]1COCCN1C(=O)c1ccnc(c1)O[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)c2ccnc(OC(C)(C)C)c2)o1 CC(C)(C)O[*:1] CCc1ccc(o1)[C@@H]1COCCN1C(=O)c1ccnc(c1)[*:1]
Brc1ccc(-c2nnc(CSc3nnc(N4CCOCC4)s3)o2)cc1 C1CN(CCO1)[*:1] Brc1ccc(cc1)-c1nnc(CSc2nnc(s2)[*:1])o1
Brc1ccc(-c2nnc(CSc3nnc(N4CCOCC4)s3)o2)cc1 Brc1ccc(cc1)[*:1] C1CN(CCO1)c1nnc(SCc2nnc(o2)[*:1])s1
CC(C)CC[C@@H]([NH3+])[C@@H]1CCc2cccnc21 CC(C)CC[*:1] [NH3+][C@@H]([C@@H]1CCc2cccnc21)[*:1]
CC(C)CC[C@@H]([NH3+])[C@@H]1CCc2cccnc21 CC(C)[*:1] [NH3+][C@H](CC[*:1])[C@@H]1CCc2cccnc21
CC(C)CC[C@@H]([NH3+])[C@@H]1CCc2cccnc21 CC(C)C[*:1] [NH3+][C@H](C[*:1])[C@@H]1CCc2cccnc21
CC(C)S(=O)(=O)CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 CC(C)[*:1] C[NH+]1CCN(CC1)C[C@H](NC(=O)CS(=O)(=O)[*:1])c1ccccc1
CC(C)S(=O)(=O)CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 CC(C)S(=O)(=O)C[*:1] C[NH+]1CCN(CC1)C[C@H](NC(=O)[*:1])c1ccccc1
CC(C)S(=O)(=O)CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 CC(C)S(=O)(=O)[*:1] C[NH+]1CCN(CC1)C[C@H](NC(=O)C[*:1])c1ccccc1
CC(C)S(=O)(=O)CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)S(=O)(=O)CC(=O)N[C@@H](CN1CC[NH+](C)CC1)[*:1]
CCCNC(=O)CNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 CCCNC(=O)[*:1] O=C(NC[*:1])c1ccccc1C(=O)c1ccc(F)cc1
CCCNC(=O)CNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 CCC[*:1] O=C(CNC(=O)c1ccccc1C(=O)c1ccc(F)cc1)N[*:1]
CCCNC(=O)CNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCCNC(=O)CNC(=O)c1ccccc1C(=O)[*:1]
CCCNC(=O)CNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 CCCNC(=O)C[*:1] O=C(N[*:1])c1ccccc1C(=O)c1ccc(F)cc1
Cc1noc(C)c1CN1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 Cc1noc(C)c1C[*:1] O=S(=O)(c1ccc2c(c1)CCN2[*:1])N1CCOCC1
Cc1noc(C)c1CN1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 Cc1noc(C)c1[*:1] O=S(=O)(c1ccc2c(c1)CCN2C[*:1])N1CCOCC1
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCCN1C(=O)c2ccccc2C1=O Fc1ccc(cc1F)[*:1] C[C@H](N(C)C(=O)CCCN1C(=O)c2ccccc2C1=O)[*:1]
COC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 COC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
N#C[C@@H](COC(=O)c1cnc(-c2ccoc2)s1)Cc1ccccc1 c1ccc(cc1)C[*:1] N#C[C@@H](COC(=O)c1cnc(s1)-c1ccoc1)[*:1]
N#C[C@@H](COC(=O)c1cnc(-c2ccoc2)s1)Cc1ccccc1 c1cc(co1)[*:1] N#C[C@@H](COC(=O)c1cnc(s1)[*:1])Cc1ccccc1
N#C[C@@H](COC(=O)c1cnc(-c2ccoc2)s1)Cc1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H](COC(=O)c1cnc(s1)-c1ccoc1)C[*:1]
O=S(=O)(CCC1CC1)NCc1csc(-c2ccco2)n1 C1CC1C[*:1] O=S(=O)(C[*:1])NCc1csc(n1)-c1ccco1
O=S(=O)(CCC1CC1)NCc1csc(-c2ccco2)n1 C1CC1CC[*:1] O=S(=O)(NCc1csc(n1)-c1ccco1)[*:1]
O=S(=O)(CCC1CC1)NCc1csc(-c2ccco2)n1 C1CC1[*:1] O=S(=O)(CC[*:1])NCc1csc(n1)-c1ccco1
O=S(=O)(CCC1CC1)NCc1csc(-c2ccco2)n1 c1coc(c1)[*:1] O=S(=O)(CCC1CC1)NCc1csc(n1)[*:1]
Cc1occc1COC(=O)CCC(=O)c1ccc(F)cc1F Cc1occc1[*:1] O=C(CCC(=O)c1ccc(F)cc1F)OC[*:1]
Cc1occc1COC(=O)CCC(=O)c1ccc(F)cc1F Cc1occc1C[*:1] O=C(CCC(=O)c1ccc(F)cc1F)O[*:1]
Cn1ccnc1SCC(=O)N(Cc1ccco1)CC(F)(F)F Cn1ccnc1S[*:1] O=C(C[*:1])N(Cc1ccco1)CC(F)(F)F
Cn1ccnc1SCC(=O)N(Cc1ccco1)CC(F)(F)F FC(F)(F)C[*:1] Cn1ccnc1SCC(=O)N(Cc1ccco1)[*:1]
Cn1ccnc1SCC(=O)N(Cc1ccco1)CC(F)(F)F c1coc(c1)[*:1] Cn1ccnc1SCC(=O)N(CC(F)(F)F)C[*:1]
Cn1ccnc1SCC(=O)N(Cc1ccco1)CC(F)(F)F Cn1ccnc1[*:1] O=C(CS[*:1])N(Cc1ccco1)CC(F)(F)F
Cn1ccnc1SCC(=O)N(Cc1ccco1)CC(F)(F)F c1coc(c1)C[*:1] Cn1ccnc1SCC(=O)N(CC(F)(F)F)[*:1]
Cn1ccnc1SCC(=O)N(Cc1ccco1)CC(F)(F)F FC(F)(F)[*:1] Cn1ccnc1SCC(=O)N(Cc1ccco1)C[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1C Clc1cc(Cl)c(c(Cl)c1)[*:1] Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)NN[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1C Cc1ccc(cc1C)[*:1] O=C(CCNS(=O)(=O)[*:1])NNc1c(Cl)cc(Cl)cc1Cl
[NH3+][C@H](C1CCCCC1)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] [NH3+][C@H](C1CCCCC1)C1(CCCC1)[*:1]
[NH3+][C@H](C1CCCCC1)C1(N2CCOCC2)CCCC1 C1CCC(CC1)[*:1] [NH3+][C@H](C1(CCCC1)N1CCOCC1)[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1/[NH+]=C/c1cc([N+](=O)[O-])ccc1[O-] O=[N+]([O-])[*:1] CC[S@](=O)[C@H]1CCCC[C@@H]1/[NH+]=C/c1cc(ccc1[O-])[*:1]
CC[S@](=O)[C@H]1CCCC[C@@H]1/[NH+]=C/c1cc([N+](=O)[O-])ccc1[O-] CC[S@](=O)[*:1] O=[N+]([O-])c1ccc([O-])c(/C=[NH+]/[C@H]2CCCC[C@@H]2[*:1])c1
CCOc1ccc(NC(=O)[C@@H]2C[C@H]2OCC)cc1Cl CCO[*:1] CCOc1ccc(cc1Cl)NC(=O)[C@@H]1C[C@@H]1[*:1]
CCOc1ccc(NC(=O)[C@@H]2C[C@H]2OCC)cc1Cl CCO[*:1] CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(=O)O[C@H]1[C@@H](CO)O[C@H](n2ccc(=O)[nH]c2=O)[C@@H]1OC(C)=O CC(=O)O[*:1] CC(=O)O[C@H]1[C@H](O[C@H](CO)[C@@H]1[*:1])n1ccc(=O)[nH]c1=O
CC(=O)O[C@H]1[C@@H](CO)O[C@H](n2ccc(=O)[nH]c2=O)[C@@H]1OC(C)=O CC(=O)O[*:1] CC(=O)O[C@H]1[C@@H](CO)O[C@@H]([C@H]1[*:1])n1ccc(=O)[nH]c1=O
Cn1nc(C2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc(C2CCN(CC2)C(=O)c2cc(on2)-c2ccco2)n(c1=O)[*:1]
Cn1nc(C2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)n(-c2ccccc2)c1=O c1coc(c1)-c1cc(no1)[*:1] Cn1nc(C2CCN(CC2)C(=O)[*:1])n(-c2ccccc2)c1=O
Cn1nc(C2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)n(-c2ccccc2)c1=O c1coc(c1)[*:1] Cn1nc(C2CCN(CC2)C(=O)c2cc(on2)[*:1])n(-c2ccccc2)c1=O
Cc1cccc(C(C)(C)NC(=O)c2ccc(-c3n[nH]c(C)n3)cc2)c1 Cc1nc(n[nH]1)[*:1] Cc1cccc(c1)C(C)(C)NC(=O)c1ccc(cc1)[*:1]
Cc1cccc(C(C)(C)NC(=O)c2ccc(-c3n[nH]c(C)n3)cc2)c1 Cc1cccc(c1)[*:1] Cc1nc(n[nH]1)-c1ccc(cc1)C(=O)NC(C)(C)[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 Clc1ccc(cc1)S[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)[O-]
O=C(CSc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 Clc1ccc(cc1)SC[*:1] O=C([O-])c1ccc(cc1)NC(=O)c1cccc(c1)NC(=O)[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 O=C([O-])[*:1] O=C(CSc1ccc(Cl)cc1)Nc1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 O=C([O-])c1ccc(cc1)[*:1] O=C(CSc1ccc(Cl)cc1)Nc1cccc(c1)C(=O)N[*:1]
O=C(CSc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 Clc1ccc(cc1)[*:1] O=C(CS[*:1])Nc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)[O-]
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(OCc3ccccc3)c1)n1ncnc1N2 c1ccc(cc1)[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@H](C=21)c1cccc(c1)OC[*:1])c1cccs1
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(OCc3ccccc3)c1)n1ncnc1N2 c1ccc(cc1)CO[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@H](C=21)c1cccc(c1)[*:1])c1cccs1
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(OCc3ccccc3)c1)n1ncnc1N2 c1ccc(cc1)C[*:1] O=C1C[C@H](CC2Nc3ncnn3[C@H](C=21)c1cccc(c1)O[*:1])c1cccs1
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(OCc3ccccc3)c1)n1ncnc1N2 c1csc(c1)[*:1] O=C1C[C@@H](CC2Nc3ncnn3[C@H](C=21)c1cccc(c1)OCc1ccccc1)[*:1]
CC(C)CCN(c1ccc(F)cc1CC[NH3+])C1CCCC1 CC(C)CC[*:1] [NH3+]CCc1cc(F)ccc1N(C1CCCC1)[*:1]
CC(C)CCN(c1ccc(F)cc1CC[NH3+])C1CCCC1 CC(C)C[*:1] [NH3+]CCc1cc(F)ccc1N(C[*:1])C1CCCC1
CC(C)CCN(c1ccc(F)cc1CC[NH3+])C1CCCC1 C1CCC(C1)[*:1] CC(C)CCN(c1ccc(F)cc1CC[NH3+])[*:1]
CC(C)CCN(c1ccc(F)cc1CC[NH3+])C1CCCC1 CC(C)[*:1] [NH3+]CCc1cc(F)ccc1N(CC[*:1])C1CCCC1
COC(=O)c1cc(Cl)c2c(c1)C[C@@H](CNC(=O)C1CC1)O2 O=C(NC[*:1])C1CC1 COC(=O)c1cc(Cl)c2O[C@H](Cc2c1)[*:1]
COC(=O)c1cc(Cl)c2c(c1)C[C@@H](CNC(=O)C1CC1)O2 O=C(N[*:1])C1CC1 COC(=O)c1cc(Cl)c2O[C@@H](Cc2c1)C[*:1]
COC(=O)c1cc(Cl)c2c(c1)C[C@@H](CNC(=O)C1CC1)O2 C1CC1[*:1] COC(=O)c1cc(Cl)c2O[C@H](CNC(=O)[*:1])Cc2c1
COC(=O)c1cc(Cl)c2c(c1)C[C@@H](CNC(=O)C1CC1)O2 COC(=O)[*:1] O=C(NC[C@@H]1Cc2cc(cc(Cl)c2O1)[*:1])C1CC1
CC(=O)c1ccc(SCC(=O)NCC(C)(C)[NH+](C)C)c(F)c1 CC(=O)[*:1] C[NH+](C)C(C)(C)CNC(=O)CSc1ccc(cc1F)[*:1]
CCCCC[n+]1c(N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21 Cc1ccc(cc1)[*:1] CCCCC[n+]1c(N)c(cc2c(=O)n3cccc(C)c3nc21)S(=O)(=O)[*:1]
CCCCC[n+]1c(N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21 CCCCC[*:1] Cc1ccc(cc1)S(=O)(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](c1N)[*:1]
CCCCC[n+]1c(N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21 Cc1ccc(cc1)S(=O)(=O)[*:1] CCCCC[n+]1c(N)c(cc2c(=O)n3cccc(C)c3nc21)[*:1]
CCCCC[n+]1c(N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21 CCC[*:1] Cc1ccc(cc1)S(=O)(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](CC[*:1])c1N
CCCCC[n+]1c(N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21 CCCC[*:1] Cc1ccc(cc1)S(=O)(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](C[*:1])c1N
COC[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)nn2C)C1 COC[*:1] Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C2)[*:1])n(C)n1
COC[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)nn2C)C1 Cc1cc(n(C)n1)[*:1] COC[C@H]1CCCN(C1)C(=O)C(=O)N[*:1]
CCOc1cc(-c2ccc(C)cc2)[nH+]c2ccc(NC(=O)C3CC3)cc12 Cc1ccc(cc1)[*:1] CCOc1cc([nH+]c2ccc(cc12)NC(=O)C1CC1)[*:1]
CCOc1cc(-c2ccc(C)cc2)[nH+]c2ccc(NC(=O)C3CC3)cc12 O=C(N[*:1])C1CC1 CCOc1cc([nH+]c2ccc(cc12)[*:1])-c1ccc(C)cc1
CCOc1cc(-c2ccc(C)cc2)[nH+]c2ccc(NC(=O)C3CC3)cc12 CCO[*:1] Cc1ccc(cc1)-c1cc(c2cc(ccc2[nH+]1)NC(=O)C1CC1)[*:1]
CCOc1cc(-c2ccc(C)cc2)[nH+]c2ccc(NC(=O)C3CC3)cc12 C1CC1[*:1] CCOc1cc([nH+]c2ccc(cc12)NC(=O)[*:1])-c1ccc(C)cc1
O=C(CNC(=O)C(=O)c1cnn(-c2ccccc2)c1)Nc1cccnc1 c1ccc(cc1)[*:1] O=C(CNC(=O)C(=O)c1cnn(c1)[*:1])Nc1cccnc1
O=C(CNC(=O)C(=O)c1cnn(-c2ccccc2)c1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(CNC(=O)C(=O)c1cnn(c1)-c1ccccc1)N[*:1]
C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1ccccc1F Fc1ccccc1[*:1] C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)[*:1]
Cc1nn(CC(=O)N(C[C@@H]2CCOC2)C2CC2)c(=O)c2ccccc12 C1CC1[*:1] Cc1nn(CC(=O)N(C[C@@H]2CCOC2)[*:1])c(=O)c2ccccc12
CCC[NH2+]C[C@](C)(CC)Cc1nc(C)cs1 CCC[*:1] CC[C@@](C)(C[NH2+][*:1])Cc1nc(C)cs1
Cc1cccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccoc2)n1 c1cc(co1)[*:1] Cc1cccc(n1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C[*:1]
Cc1cccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccoc2)n1 Cc1cccc(n1)[*:1] c1ccc2=C3CCN(Cc4ccoc4)[C@@H]([C@H]3[NH+]=c2c1)[*:1]
Cc1cccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2Cc2ccoc2)n1 c1cc(co1)C[*:1] Cc1cccc(n1)[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1[*:1]
CCCC(=O)N1CCC(c2nccnc2Oc2ccccc2OC)CC1 CCC[*:1] COc1ccccc1Oc1nccnc1C1CCN(CC1)C(=O)[*:1]
CCCC(=O)N1CCC(c2nccnc2Oc2ccccc2OC)CC1 COc1ccccc1[*:1] CCCC(=O)N1CCC(CC1)c1nccnc1O[*:1]
COc1ccc(OC)c(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c1 O=C([O-])[*:1] COc1ccc(OC)c(c1)N1C(=O)c2ccc(cc2C1=O)[*:1]
Cc1noc(CN2CCN(C(=O)[C@H](C)Sc3ccccn3)CC2)n1 c1ccc(nc1)S[*:1] Cc1noc(CN2CCN(CC2)C(=O)[C@H](C)[*:1])n1
Cc1noc(CN2CCN(C(=O)[C@H](C)Sc3ccccn3)CC2)n1 Cc1noc(C[*:1])n1 C[C@H](Sc1ccccn1)C(=O)N1CCN(CC1)[*:1]
Cc1noc(CN2CCN(C(=O)[C@H](C)Sc3ccccn3)CC2)n1 c1ccc(nc1)[*:1] Cc1noc(CN2CCN(CC2)C(=O)[C@H](C)S[*:1])n1
Cc1noc(CN2CCN(C(=O)[C@H](C)Sc3ccccn3)CC2)n1 Cc1noc(n1)[*:1] C[C@H](Sc1ccccn1)C(=O)N1CCN(CC1)C[*:1]
CC[C@H](Cc1ccccc1)N(CC)Cc1c[nH]nc1C Cc1n[nH]cc1[*:1] CC[C@H](Cc1ccccc1)N(CC)C[*:1]
CC[C@H](Cc1ccccc1)N(CC)Cc1c[nH]nc1C c1ccc(cc1)[*:1] CC[C@H](C[*:1])N(CC)Cc1c[nH]nc1C
CCc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(Cl)nc2)cc1 Clc1ccc(cn1)[*:1] CCc1ccc(cc1)[C@H](C)NC(=O)N(C)C[*:1]
CCOCC(=O)N1CCOC[C@@H]1C[NH+](C)C CCO[*:1] C[NH+](C)C[C@H]1COCCN1C(=O)C[*:1]
CCOCC(=O)N1CCOC[C@@H]1C[NH+](C)C CCOC[*:1] C[NH+](C)C[C@H]1COCCN1C(=O)[*:1]
C[C@@H](CO)CS(=O)(=O)[C@H](C)C(=O)NCC(F)(F)F C[C@@H](CO)[*:1] C[C@H](C(=O)NCC(F)(F)F)S(=O)(=O)C[*:1]
C[C@@H](CO)CS(=O)(=O)[C@H](C)C(=O)NCC(F)(F)F FC(F)(F)C[*:1] C[C@@H](CO)CS(=O)(=O)[C@H](C)C(=O)N[*:1]
C[C@@H](CO)CS(=O)(=O)[C@H](C)C(=O)NCC(F)(F)F FC(F)(F)[*:1] C[C@@H](CO)CS(=O)(=O)[C@H](C)C(=O)NC[*:1]
C[C@@H](CO)CS(=O)(=O)[C@H](C)C(=O)NCC(F)(F)F C[C@@H](CO)C[*:1] C[C@H](C(=O)NCC(F)(F)F)S(=O)(=O)[*:1]
CC(C)n1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 CC(C)[*:1] N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccn(n1)[*:1]
CC(C)n1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 CC(C)n1ccc(n1)[*:1] N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[*:1]
CC(C)n1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)n1ccc(n1)C(=O)N1CCC[C@@H]1[C@H](C#N)[*:1]
CCOc1ncccc1CNC(=O)N1CCN(c2ccccc2Cl)CC1 CCO[*:1] O=C(NCc1cccnc1[*:1])N1CCN(CC1)c1ccccc1Cl
CCOc1ncccc1CNC(=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] CCOc1ncccc1CNC(=O)N1CCN(CC1)[*:1]
CCS(=O)(=O)NCCS(=O)(=O)N(C)c1ccc(F)c(F)c1 CCS(=O)(=O)NC[*:1] CN(c1ccc(F)c(F)c1)S(=O)(=O)C[*:1]
CCS(=O)(=O)NCCS(=O)(=O)N(C)c1ccc(F)c(F)c1 CCS(=O)(=O)N[*:1] CN(c1ccc(F)c(F)c1)S(=O)(=O)CC[*:1]
COC(=O)C[C@@H](C)NC(=O)c1c[nH]c2nccc(Cl)c12 COC(=O)[*:1] C[C@H](C[*:1])NC(=O)c1c[nH]c2nccc(Cl)c12
COC(=O)C[C@@H](C)NC(=O)c1c[nH]c2nccc(Cl)c12 COC(=O)C[*:1] C[C@@H](NC(=O)c1c[nH]c2nccc(Cl)c12)[*:1]
COc1ccc(C2=Nn3c(nnc3-c3cccc(OC(C)C)c3)SC2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)C1CSc2nnc(-c3cccc(c3)O[*:1])n2N=1
COc1ccc(C2=Nn3c(nnc3-c3cccc(OC(C)C)c3)SC2)cc1OC CC(C)O[*:1] COc1ccc(cc1OC)C1CSc2nnc(-c3cccc(c3)[*:1])n2N=1
CCN(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 Clc1cccc(c1)[*:1] CCN(C[*:1])C(=O)CSc1ccccc1
CCN(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1cccc(Cl)c1)C(=O)CS[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 c1ccc(cc1)S[*:1] CCN(Cc1cccc(Cl)c1)C(=O)C[*:1]
CCn1c(SCCC#N)nnc1-c1ccncc1 N#CC[*:1] CCn1c(nnc1-c1ccncc1)SC[*:1]
CCn1c(SCCC#N)nnc1-c1ccncc1 c1cc(ccn1)[*:1] CCn1c(nnc1[*:1])SCCC#N
CCn1c(SCCC#N)nnc1-c1ccncc1 N#CCC[*:1] CCn1c(nnc1-c1ccncc1)S[*:1]
CCn1c(SCCC#N)nnc1-c1ccncc1 N#CCCS[*:1] CCn1c(nnc1[*:1])-c1ccncc1
Cc1cccc(C)c1NC(=O)CNC(=O)CCC(=O)c1ccc(Cl)s1 Cc1cccc(C)c1[*:1] O=C(CCC(=O)c1ccc(Cl)s1)NCC(=O)N[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)CCC(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)CCC(=O)[*:1]
Cc1cccc(C)c1NC(=O)CNC(=O)CCC(=O)c1ccc(Cl)s1 O=C(c1ccc(Cl)s1)[*:1] Cc1cccc(C)c1NC(=O)CNC(=O)CC[*:1]
C[C@H](O)Cc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C c1ccc(cc1)[*:1] C[C@H](O)Cc1nnc(SCC(=O)Nc2ccccc2[*:1])n1C
CSCCOC(=O)[C@H](C)NC(=O)c1ccco1 c1coc(c1)[*:1] CSCCOC(=O)[C@H](C)NC(=O)[*:1]
CSCCOC(=O)[C@H](C)NC(=O)c1ccco1 CSC[*:1] C[C@H](NC(=O)c1ccco1)C(=O)OC[*:1]
CSCCOC(=O)[C@H](C)NC(=O)c1ccco1 CSCC[*:1] C[C@H](NC(=O)c1ccco1)C(=O)O[*:1]
CC1(CNC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)COC1 CC1(COC1)[*:1] O=C(NC[*:1])N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
CC1(CNC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)COC1 CC1(COC1)C[*:1] O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
N#CCN1CC[NH+](C[C@H]2C[C@@H]3CC[C@H]2C3)CC1 N#CC[*:1] C1C[C@@H]2C[C@H]1[C@H](C2)C[NH+]1CCN(CC1)[*:1]
CC[C@@H](CCCl)CNc1ncnc2c1CCC2 ClCC[*:1] CC[C@@H](CNc1ncnc2CCCc21)[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Oc2ccc(C#N)cc2)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccc(cc1)OC(=O)[C@H]1CCC(=O)N1C[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Oc2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)CC[C@@H]1C(=O)O[*:1]
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Oc2ccc(C#N)cc2)cc1 Cc1ccc(cc1)C[*:1] N#Cc1ccc(cc1)OC(=O)[C@H]1CCC(=O)N1[*:1]
CC1=C(C(=O)Nc2ncccc2C)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 Clc1cccc(c1Cl)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)Nc1ncccc1C)[*:1]
CC1=C(C(=O)Nc2ncccc2C)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 Cc1cccnc1NC(=O)[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1[*:1])c1cccc(Cl)c1Cl
CC1=C(C(=O)Nc2ncccc2C)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 Cc1cccnc1[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)N[*:1])c1cccc(Cl)c1Cl
CN(C)C(=O)c1cccc(OC(=O)c2ccc(-n3cccn3)cc2)c1 c1cnn(c1)[*:1] CN(C)C(=O)c1cccc(c1)OC(=O)c1ccc(cc1)[*:1]
CN(C)C(=O)c1cccc(OC(=O)c2ccc(-n3cccn3)cc2)c1 CN(C)C(=O)[*:1] O=C(Oc1cccc(c1)[*:1])c1ccc(cc1)-n1cccn1
CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O O=C([O-])c1cccc(c1)[*:1] CCN1C(=O)N/C(=C/c2cc(Cl)c(OC[*:1])c(c2)OC)C1=O
CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O O=C([O-])c1cccc(c1)C[*:1] CCN1C(=O)N/C(=C/c2cc(Cl)c(O[*:1])c(c2)OC)C1=O
CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O O=C([O-])[*:1] CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(c3)[*:1])c(c2)OC)C1=O
CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O CCN1C(=O)NC(=C[*:1])C1=O COc1cc(cc(Cl)c1OCc1cccc(c1)C(=O)[O-])[*:1]
CC[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NS(=O)(=O)c1cnn(c1)[C@@H]1CCOC1)[*:1]
CC[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1ccc(C)c(F)c1 C1C[C@H](CO1)[*:1] CC[C@@H](NS(=O)(=O)c1cnn(c1)[*:1])c1ccc(C)c(F)c1
CCCCCc1nnc(NC(=O)C(=O)N[C@@H]2CC=CCC2)s1 CCCCC[*:1] O=C(Nc1nnc(s1)[*:1])C(=O)N[C@@H]1CC=CCC1
CCCCCc1nnc(NC(=O)C(=O)N[C@@H]2CC=CCC2)s1 CCCC[*:1] O=C(Nc1nnc(C[*:1])s1)C(=O)N[C@@H]1CC=CCC1
CCCCCc1nnc(NC(=O)C(=O)N[C@@H]2CC=CCC2)s1 CCC[*:1] O=C(Nc1nnc(CC[*:1])s1)C(=O)N[C@@H]1CC=CCC1
O=C([O-])[C@@]1(Cc2ccnc3ccccc23)C[C@H]2CC[C@@H]1O2 O=C([O-])[*:1] c1ccc2c(ccnc2c1)C[C@]1(C[C@H]2CC[C@@H]1O2)[*:1]
COc1ccccc1-c1ccc2nnc(SCC(=O)N3CCCc4ccccc43)n2n1 COc1ccccc1[*:1] O=C(CSc1nnc2ccc(nn12)[*:1])N1CCCc2ccccc21
NC(=O)c1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 NC(=O)[*:1] O=[N+]([O-])c1cc(ccc1CN1CCC[C@@H]1c1ccc(O)cc1)[*:1]
NC(=O)c1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NC(=O)c1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)c(c1)[*:1]
NC(=O)c1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 Oc1ccc(cc1)[*:1] NC(=O)c1ccc(CN2CCC[C@H]2[*:1])c(c1)[N+](=O)[O-]
O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccccc1F Fc1ccccc1[*:1] O=C(NC1CC1)c1cc(ccc1Cl)NC(=O)[*:1]
O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccccc1F C1CC1[*:1] O=C(Nc1ccc(Cl)c(c1)C(=O)N[*:1])c1ccccc1F
O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccccc1F O=C(NC1CC1)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1ccccc1F
C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)Cc1cnn(C)c1 Cn1cc(cn1)C[*:1] C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)[*:1]
C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)Cc1cnn(C)c1 Clc1ccc(cc1)[*:1] CC(=C[*:1])C(=O)N(C)Cc1cnn(C)c1
C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)Cc1cnn(C)c1 Cn1cc(cn1)[*:1] C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)C[*:1]
CC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc(Sc3ccc(C)cc3)nn2)C1 CC[C@H](C)[*:1] Cc1ccc(cc1)Sc1ccc(nn1)N1CCC[C@H](C1)C(=O)N[*:1]
CC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc(Sc3ccc(C)cc3)nn2)C1 Cc1ccc(cc1)S[*:1] CC[C@H](C)NC(=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
CC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc(Sc3ccc(C)cc3)nn2)C1 Cc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)[C@@H]1CCCN(C1)c1ccc(nn1)S[*:1]
CC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc(Sc3ccc(C)cc3)nn2)C1 CC[C@H](C)NC(=O)[*:1] Cc1ccc(cc1)Sc1ccc(nn1)N1CCC[C@H](C1)[*:1]
Cc1cnc([C@H](C)NC(=O)N(C)[C@@H](c2ccccc2)C(C)C)s1 CC(C)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)N(C)[C@@H](c1ccccc1)[*:1]
Cc1cnc([C@H](C)NC(=O)N(C)[C@@H](c2ccccc2)C(C)C)s1 c1ccc(cc1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)N(C)[C@@H](C(C)C)[*:1]
Cc1cnc([C@H](C)NC(=O)N(C)[C@@H](c2ccccc2)C(C)C)s1 Cc1cnc(s1)[*:1] CC(C)[C@H](c1ccccc1)N(C)C(=O)N[C@@H](C)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N[C@@H](C)CNc3ccccc3)cc12 c1ccc(cc1)[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)N[C@@H](C)CN[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N[C@@H](C)CNc3ccccc3)cc12 c1ccc(cc1)N[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)N[C@@H](C)C[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N[C@@H](C)CNc3ccccc3)cc12 c1ccc(cc1)NC[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)N[C@@H](C)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)N[C@@H](C)CNc3ccccc3)cc12 COC(=O)[*:1] C[C@@H](CNc1ccccc1)NC(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
C[NH2+]Cc1cnc(C(C)C)nc1C[NH+](C)C CC(C)[*:1] C[NH2+]Cc1cnc(nc1C[NH+](C)C)[*:1]
CCCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl CCCNC(=O)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl CCC[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)C(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
C[NH2+][C@@H](CC(C)C)[C@@H]1CCc2cccnc21 CC(C)[*:1] C[NH2+][C@@H](C[*:1])[C@@H]1CCc2cccnc21
C[NH2+][C@@H](CC(C)C)[C@@H]1CCc2cccnc21 CC(C)C[*:1] C[NH2+][C@@H]([C@@H]1CCc2cccnc21)[*:1]
C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC([NH+]2CCCCC2)CC1 CC(C)(C)[*:1] C[C@H](C(=O)NC(=O)N[*:1])N1CCC(CC1)[NH+]1CCCCC1
NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([O-])nn2)cc1 NS(=O)(=O)[*:1] O=C(NCCc1ccc(cc1)[*:1])c1ccc([O-])nn1
COc1ccc(OC)c(NC(=O)COc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] COc1ccc(OC)c(c1)NC(=O)COc1cccc(c1)[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ncc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ncc(o1)[*:1]
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ncc(-c2ccc(F)cc2)o1 N#C[C@@H](c1ccccc1)[*:1] Fc1ccc(cc1)-c1cnc(CN2CCC[C@H]2[*:1])o1
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ncc(-c2ccc(F)cc2)o1 c1ccc(cc1)[*:1] N#C[C@@H]([C@@H]1CCCN1Cc1ncc(o1)-c1ccc(F)cc1)[*:1]
C[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)Nc1sccc1C(N)=O NC(=O)c1ccsc1NC(=O)[*:1] C[C@@H](OC(=O)c1cc(nc2ccccc12)-c1ccc(F)cc1)[*:1]
C[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)Nc1sccc1C(N)=O Fc1ccc(cc1)[*:1] C[C@@H](OC(=O)c1cc(nc2ccccc12)[*:1])C(=O)Nc1sccc1C(N)=O
C[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)Nc1sccc1C(N)=O NC(=O)[*:1] C[C@@H](OC(=O)c1cc(nc2ccccc12)-c1ccc(F)cc1)C(=O)Nc1sccc1[*:1]
C[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)Nc1sccc1C(N)=O NC(=O)c1ccsc1[*:1] C[C@@H](OC(=O)c1cc(nc2ccccc12)-c1ccc(F)cc1)C(=O)N[*:1]
CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(C(N)=O)ccc1OC CCC[*:1] COc1ccc(cc1NC(=O)N[C@H]1CCC[C@@H]1C[*:1])C(N)=O
CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(C(N)=O)ccc1OC CCCC[*:1] COc1ccc(cc1NC(=O)N[C@H]1CCC[C@@H]1[*:1])C(N)=O
CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(C(N)=O)ccc1OC NC(=O)[*:1] CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(ccc1OC)[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N[C@H]1CC[C@@H](C1)[NH+](C)C
CC1CC[NH+](CCNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 FC(F)(F)[*:1] CC1CC[NH+](CCNS(=O)(=O)c2ccccc2[*:1])CC1
CC[C@H](CO)NC(=O)Nc1cc2c(cc1Cl)OCCO2 CC[C@H](CO)[*:1] O=C(Nc1cc2OCCOc2cc1Cl)N[*:1]
Cc1nc(Sc2nnnn2Cc2ccco2)c2c(-c3cccs3)csc2n1 c1coc(c1)[*:1] Cc1nc(Sc2nnnn2C[*:1])c2c(csc2n1)-c1cccs1
Cc1nc(Sc2nnnn2Cc2ccco2)c2c(-c3cccs3)csc2n1 c1coc(c1)C[*:1] Cc1nc(Sc2nnnn2[*:1])c2c(csc2n1)-c1cccs1
Cc1nc(Sc2nnnn2Cc2ccco2)c2c(-c3cccs3)csc2n1 c1csc(c1)[*:1] Cc1nc(Sc2nnnn2Cc2ccco2)c2c(csc2n1)[*:1]
CCOCCn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2cc(S(N)(=O)=O)ccc21 CCOCC[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccc(Cl)s1)n2[*:1]
CCOCCn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] CCOCCn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2cc(ccc21)[*:1]
CCOCCn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2cc(S(N)(=O)=O)ccc21 CCOC[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccc(Cl)s1)n2C[*:1]
CCOCCn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2cc(S(N)(=O)=O)ccc21 CCO[*:1] NS(=O)(=O)c1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccc(Cl)s1)n2CC[*:1]
CCOCCn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2cc(S(N)(=O)=O)ccc21 Clc1ccc(s1)[*:1] CCOCCn1/c(=N/S(=O)(=O)[*:1])sc2cc(ccc21)S(N)(=O)=O
C[C@](C#N)(NC(=O)CN1CCN(c2cccc[nH+]2)CC1)C1CC1 C[C@](C#N)(C1CC1)[*:1] O=C(CN1CCN(CC1)c1cccc[nH+]1)N[*:1]
C[C@](C#N)(NC(=O)CN1CCN(c2cccc[nH+]2)CC1)C1CC1 C1CC1[*:1] C[C@](C#N)(NC(=O)CN1CCN(CC1)c1cccc[nH+]1)[*:1]
C[C@H]1CCOCCN1C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F Cn1ccnc1[*:1] C[C@H]1CCOCCN1C(=O)NCC[C@@](O)(C(F)(F)F)[*:1]
C[C@H]1CCOCCN1C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F FC(F)(F)[*:1] C[C@H]1CCOCCN1C(=O)NCC[C@@](O)(c1nccn1C)[*:1]
COC(=O)[C@@H](C)Sc1nc(-c2cccs2)cc(C(F)(F)F)n1 c1csc(c1)[*:1] COC(=O)[C@@H](C)Sc1nc(cc(n1)[*:1])C(F)(F)F
COC(=O)[C@@H](C)Sc1nc(-c2cccs2)cc(C(F)(F)F)n1 COC(=O)[C@@H](C)[*:1] FC(F)(F)c1cc(nc(n1)S[*:1])-c1cccs1
COC(=O)[C@@H](C)Sc1nc(-c2cccs2)cc(C(F)(F)F)n1 COC(=O)[C@@H](C)S[*:1] FC(F)(F)c1cc(nc(n1)[*:1])-c1cccs1
COC(=O)[C@@H](C)Sc1nc(-c2cccs2)cc(C(F)(F)F)n1 COC(=O)[*:1] C[C@@H](Sc1nc(cc(n1)C(F)(F)F)-c1cccs1)[*:1]
COC(=O)[C@@H](C)Sc1nc(-c2cccs2)cc(C(F)(F)F)n1 FC(F)(F)[*:1] COC(=O)[C@@H](C)Sc1nc(cc(n1)[*:1])-c1cccs1
COCc1nnc(NC(=O)C[NH+]2CCC(Nc3ncccn3)CC2)s1 COCc1nnc(s1)[*:1] O=C(C[NH+]1CCC(CC1)Nc1ncccn1)N[*:1]
COCc1nnc(NC(=O)C[NH+]2CCC(Nc3ncccn3)CC2)s1 c1cnc(nc1)N[*:1] COCc1nnc(NC(=O)C[NH+]2CCC(CC2)[*:1])s1
COCc1nnc(NC(=O)C[NH+]2CCC(Nc3ncccn3)CC2)s1 COC[*:1] O=C(C[NH+]1CCC(CC1)Nc1ncccn1)Nc1nnc(s1)[*:1]
COCc1nnc(NC(=O)C[NH+]2CCC(Nc3ncccn3)CC2)s1 c1cnc(nc1)[*:1] COCc1nnc(NC(=O)C[NH+]2CCC(CC2)N[*:1])s1
CCc1ccc([C@H]2COCCN2C(=O)Nc2cccc(C(C)=O)c2)o1 CCc1ccc(o1)[*:1] CC(=O)c1cccc(c1)NC(=O)N1CCOC[C@@H]1[*:1]
CCc1ccc([C@H]2COCCN2C(=O)Nc2cccc(C(C)=O)c2)o1 CC(=O)[*:1] CCc1ccc(o1)[C@H]1COCCN1C(=O)Nc1cccc(c1)[*:1]
O=C(CCc1nc2ncccc2[nH]1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)CO[*:1] O=C(CCc1nc2ncccc2[nH]1)N1CCC(CC1)[*:1]
O=C(CCc1nc2ncccc2[nH]1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C(CCc1nc2ncccc2[nH]1)N1CCC(CC1)O[*:1]
O=C(CCc1nc2ncccc2[nH]1)N1CCC(OCc2ccc(F)cc2)CC1 c1cnc2nc([nH]c2c1)[*:1] O=C(CC[*:1])N1CCC(CC1)OCc1ccc(F)cc1
O=C(CCc1nc2ncccc2[nH]1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(CCc1nc2ncccc2[nH]1)N1CCC(CC1)OC[*:1]
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccsc1)c1cccc2ccccc12 c1cc(cs1)[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)NC[*:1])c1cccc2ccccc12
C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccsc1)c1cccc2ccccc12 c1cc(cs1)C[*:1] C[NH+](C)[C@H](CNC(=O)C(=O)N[*:1])c1cccc2ccccc12
CCCc1noc(CS(=O)(=O)C[C@@H](O)c2cccc(F)c2)n1 Fc1cccc(c1)[*:1] CCCc1noc(CS(=O)(=O)C[C@@H](O)[*:1])n1
CCCc1noc(CS(=O)(=O)C[C@@H](O)c2cccc(F)c2)n1 CCC[*:1] O=S(=O)(Cc1nc(no1)[*:1])C[C@@H](O)c1cccc(F)c1
Cc1nc(NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)c2cnn(C)c2n1 Cn1ncc(cc1=O)[*:1] Cc1nc(NC[C@@H]2CCN(C2)[*:1])c2cnn(C)c2n1
COC(=O)C[C@H]1CC[NH2+]C[C@H]1C COC(=O)[*:1] C[C@@H]1C[NH2+]CC[C@@H]1C[*:1]
COC(=O)[C@@H](NC(=O)C1=CCCC1)c1ccc(F)c(F)c1 COC(=O)[*:1] O=C(N[C@@H](c1ccc(F)c(F)c1)[*:1])C1=CCCC1
N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)NC1CCCC1 Fc1cccc(c1)CO[*:1] N#C/C(=C/c1ccccc1[*:1])C(=O)NC1CCCC1
N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)NC1CCCC1 Fc1cccc(c1)[*:1] N#C/C(=C/c1ccccc1OC[*:1])C(=O)NC1CCCC1
N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)NC1CCCC1 Fc1cccc(c1)C[*:1] N#C/C(=C/c1ccccc1O[*:1])C(=O)NC1CCCC1
N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)N[*:1]
N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] N#CC(=Cc1ccccc1OCc1cccc(F)c1)[*:1]
CC(C)c1cc(C(=O)Nc2cc(F)cc(Br)c2)on1 CC(C)[*:1] O=C(Nc1cc(F)cc(Br)c1)c1cc(no1)[*:1]
Cc1ccc([C@@H](C)NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)CCC(=O)c1ccc2OCCOc2c1)[*:1]
O=C(Nc1ccccc1OC(F)F)C1CCCC1 FC(F)O[*:1] O=C(Nc1ccccc1[*:1])C1CCCC1
O=C(Nc1ccccc1OC(F)F)C1CCCC1 FC(F)[*:1] O=C(Nc1ccccc1O[*:1])C1CCCC1
O=C(Nc1ccccc1OC(F)F)C1CCCC1 C1CCC(C1)[*:1] O=C(Nc1ccccc1OC(F)F)[*:1]
CC(C)=CC(=O)N1CC[C@@H](CSc2ccccc2)C1 CC(C)=C[*:1] O=C(N1CC[C@@H](CSc2ccccc2)C1)[*:1]
CC(C)=CC(=O)N1CC[C@@H](CSc2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)=CC(=O)N1CC[C@@H](CS[*:1])C1
Cc1cc(C2CCC2)nc(NCCN2CCCOC2=O)n1 C1CC(C1)[*:1] Cc1cc(nc(n1)NCCN1CCCOC1=O)[*:1]
Cc1cc(C2CCC2)nc(NCCN2CCCOC2=O)n1 O=C1OCCCN1[*:1] Cc1cc(nc(n1)NCC[*:1])C1CCC1
O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Clc1ccc(cc1Cl)[*:1] O=C(CSC[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1F
O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Clc1ccc(cc1Cl)C[*:1] O=C(CS[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1F
Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3)c(=O)c2c1-c1ccccc1 Fc1ccc(cc1)[*:1] Cc1sc2ncn(CC(=O)N[*:1])c(=O)c2c1-c1ccccc1
Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3)c(=O)c2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3)c(=O)c2c1[*:1]
CC(C)C[NH2+]Cc1cnn(C)c1C(C)C CC(C)[*:1] CC(C)C[NH2+]Cc1cnn(C)c1[*:1]
CC(C)C[NH2+]Cc1cnn(C)c1C(C)C CC(C)C[*:1] CC(C)c1c(cnn1C)C[NH2+][*:1]
CC(C)C[NH2+]Cc1cnn(C)c1C(C)C CC(C)[*:1] CC(C)c1c(cnn1C)C[NH2+]C[*:1]
COc1ccc(NC(=O)c2ccc(/N=C3\N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)/N=C1\N[C@@H]2CS(=O)(=O)C[C@H]2S1
O[C@H](CN1CCOCC1)CN1CCN(c2ncccc2F)CC1 Fc1cccnc1[*:1] O[C@H](CN1CCOCC1)CN1CCN(CC1)[*:1]
O[C@H](CN1CCOCC1)CN1CCN(c2ncccc2F)CC1 C1CN(CCO1)[*:1] O[C@@H](CN1CCN(CC1)c1ncccc1F)C[*:1]
O[C@H](CN1CCOCC1)CN1CCN(c2ncccc2F)CC1 C1CN(CCO1)C[*:1] O[C@H](CN1CCN(CC1)c1ncccc1F)[*:1]
CN(c1ccccc1)c1nc(OCC(=O)[O-])cc(-c2ccncc2)n1 O=C([O-])C[*:1] CN(c1ccccc1)c1nc(cc(n1)-c1ccncc1)O[*:1]
CN(c1ccccc1)c1nc(OCC(=O)[O-])cc(-c2ccncc2)n1 O=C([O-])[*:1] CN(c1ccccc1)c1nc(cc(n1)-c1ccncc1)OC[*:1]
CN(c1ccccc1)c1nc(OCC(=O)[O-])cc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CN(c1ccccc1)c1nc(cc(n1)[*:1])OCC(=O)[O-]
CN(c1ccccc1)c1nc(OCC(=O)[O-])cc(-c2ccncc2)n1 c1ccc(cc1)[*:1] CN(c1nc(cc(n1)-c1ccncc1)OCC(=O)[O-])[*:1]
CN(c1ccccc1)c1nc(OCC(=O)[O-])cc(-c2ccncc2)n1 O=C([O-])CO[*:1] CN(c1ccccc1)c1nc(cc(n1)[*:1])-c1ccncc1
CN(c1ccccc1)c1nc(OCC(=O)[O-])cc(-c2ccncc2)n1 CN(c1ccccc1)[*:1] O=C([O-])COc1cc(nc(n1)[*:1])-c1ccncc1
COc1ccc([C@H](NC(=O)N2CCC[C@@H](CNC(C)=O)C2)c2ccccc2)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@H](NC(=O)N1CCC[C@H](C1)C[*:1])c1ccccc1
COc1ccc([C@H](NC(=O)N2CCC[C@@H](CNC(C)=O)C2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H](NC(=O)N1CCC[C@@H](CNC(C)=O)C1)[*:1]
COc1ccc([C@H](NC(=O)N2CCC[C@@H](CNC(C)=O)C2)c2ccccc2)cc1 CC(=O)NC[*:1] COc1ccc(cc1)[C@H](NC(=O)N1CCC[C@@H](C1)[*:1])c1ccccc1
COc1ccc([C@H](NC(=O)N2CCC[C@@H](CNC(C)=O)C2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] CC(=O)NC[C@@H]1CCCN(C1)C(=O)N[C@H](c1ccccc1)[*:1]
O=C(NCc1cccc(C(F)(F)F)c1)c1nc[nH]n1 FC(F)(F)[*:1] O=C(NCc1cccc(c1)[*:1])c1nc[nH]n1
[NH3+][C@@]1(C(=O)[O-])CCC[C@H]1CCOc1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@]1(CCC[C@H]1CCO[*:1])C(=O)[O-]
COc1cccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)c1 COc1cccc(c1)[*:1] c1cc(ccc1-c1noc(n1)[*:1])N1CCOCC1
COc1cccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)c1 C1CN(CCO1)[*:1] COc1cccc(c1)-c1nc(no1)-c1ccc(cc1)[*:1]
Cc1cc(C(=O)Nc2ccc3[nH]ccc3c2)cc(S(N)(=O)=O)c1C NS(=O)(=O)[*:1] Cc1cc(cc(c1C)[*:1])C(=O)Nc1ccc2[nH]ccc2c1
CC(C)[NH+](Cc1ccc(C(N)=O)cc1)C1CC1 C1CC1[*:1] CC(C)[NH+](Cc1ccc(cc1)C(N)=O)[*:1]
CC(C)[NH+](Cc1ccc(C(N)=O)cc1)C1CC1 NC(=O)[*:1] CC(C)[NH+](Cc1ccc(cc1)[*:1])C1CC1
CC(C)[NH+](Cc1ccc(C(N)=O)cc1)C1CC1 CC(C)[*:1] NC(=O)c1ccc(cc1)C[NH+](C1CC1)[*:1]
CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccn(C)n4)CC3)n2)CC1 Cn1ccc(n1)[*:1] CC1CCN(CC1)c1ncc(c(n1)C1CCN(CC1)C(=O)[*:1])S(C)(=O)=O
CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccn(C)n4)CC3)n2)CC1 CC1CCN(CC1)[*:1] Cn1ccc(n1)C(=O)N1CCC(CC1)c1nc(ncc1S(C)(=O)=O)[*:1]
CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccn(C)n4)CC3)n2)CC1 CS(=O)(=O)[*:1] CC1CCN(CC1)c1ncc(c(n1)C1CCN(CC1)C(=O)c1ccn(C)n1)[*:1]
Cc1cccn2cc(CCNC(=O)c3cn(C)nc3-c3ccccc3)[nH+]c12 c1ccc(cc1)[*:1] Cc1cccn2cc(CCNC(=O)c3cn(C)nc3[*:1])[nH+]c12
CC[C@H]1CCCCN1c1ncnc(Nc2ccccc2Br)c1N Brc1ccccc1[*:1] CC[C@H]1CCCCN1c1ncnc(N[*:1])c1N
CCOC(=O)[C@@H](F)[C@@H](C)N[C@@H]1CCN(C(C)=O)C1 CCOC(=O)[*:1] CC(=O)N1CC[C@H](C1)N[C@H](C)[C@H](F)[*:1]
Cc1ccccc1COC1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 Cc1ccccc1[*:1] CN1C[C@H](CCC1=O)NC(=O)N1CCC(CC1)OC[*:1]
Cc1ccccc1COC1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 Cc1ccccc1C[*:1] CN1C[C@H](CCC1=O)NC(=O)N1CCC(CC1)O[*:1]
COc1cccc(C(=O)NNC(=O)Cc2cccc(F)c2)c1O Fc1cccc(c1)[*:1] COc1cccc(C(=O)NNC(=O)C[*:1])c1O
COC(=O)c1ccc(OC)cc1OCCCS SCCC[*:1] COC(=O)c1ccc(cc1O[*:1])OC
COC(=O)c1ccc(OC)cc1OCCCS COC(=O)[*:1] COc1ccc(c(c1)OCCCS)[*:1]
COC(=O)c1ccc(OC)cc1OCCCS SCCCO[*:1] COC(=O)c1ccc(cc1[*:1])OC
COC(=O)c1ccc(OC)cc1OCCCS SCC[*:1] COC(=O)c1ccc(cc1OC[*:1])OC
CN(C)c1cc(C(=O)Nc2cncc3ccccc23)ccn1 CN(C)[*:1] O=C(Nc1cncc2ccccc12)c1ccnc(c1)[*:1]
COC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1ccccc1C C[C@H]1CCCN(C1)[*:1] COC(=O)C1=C(C[*:1])NC(=O)N[C@@H]1c1ccccc1C
COC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1ccccc1C Cc1ccccc1[*:1] COC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@H]1[*:1]
COC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1ccccc1C C[C@H]1CCCN(C1)C[*:1] COC(=O)C1=C(NC(=O)N[C@@H]1c1ccccc1C)[*:1]
COC(=O)C1=C(CN2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1ccccc1C COC(=O)[*:1] Cc1ccccc1[C@H]1NC(=O)NC(CN2CCC[C@H](C)C2)=C1[*:1]
CC(=O)N[C@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Sc1ccc(Cl)cc1 Clc1ccc(cc1)S[*:1] CC(=O)N[C@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@H](OC[C@H]2O[C@H]1[*:1])c1ccco1
CC(=O)N[C@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Sc1ccc(Cl)cc1 CC(=O)N[*:1] O=C([O-])CO[C@H]1[C@@H]([C@H](O[C@@H]2CO[C@@H](O[C@H]12)c1ccco1)Sc1ccc(Cl)cc1)[*:1]
CC(=O)N[C@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Sc1ccc(Cl)cc1 c1coc(c1)[*:1] CC(=O)N[C@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](OC[C@H]2O[C@@H]1Sc1ccc(Cl)cc1)[*:1]
CC(=O)N[C@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Sc1ccc(Cl)cc1 O=C([O-])[*:1] CC(=O)N[C@H]1[C@H](OC[*:1])[C@H]2O[C@H](OC[C@H]2O[C@@H]1Sc1ccc(Cl)cc1)c1ccco1
CC(=O)N[C@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Sc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(=O)N[C@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@H](OC[C@H]2O[C@@H]1S[*:1])c1ccco1
CC(=O)N[C@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Sc1ccc(Cl)cc1 O=C([O-])CO[*:1] CC(=O)N[C@H]1[C@H]([C@H]2O[C@H](OC[C@H]2O[C@@H]1Sc1ccc(Cl)cc1)c1ccco1)[*:1]
CC(=O)N[C@H]1[C@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Sc1ccc(Cl)cc1 O=C([O-])C[*:1] CC(=O)N[C@H]1[C@H](O[*:1])[C@H]2O[C@H](OC[C@H]2O[C@@H]1Sc1ccc(Cl)cc1)c1ccco1
O=Cc1cc(F)c(OCc2ccccn2)c(F)c1 c1ccc(nc1)[*:1] O=Cc1cc(F)c(OC[*:1])c(F)c1
CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](C(=O)c1ccc(Br)cc1)C(C)C CCOC(=O)[*:1] CC(C)[C@H](C(=O)c1ccc(Br)cc1)[C@@H]1[C@H](C(=O)OC1(C)C)[*:1]
CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](C(=O)c1ccc(Br)cc1)C(C)C CC(C)[*:1] CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](C(=O)c1ccc(Br)cc1)[*:1]
CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](C(=O)c1ccc(Br)cc1)C(C)C Brc1ccc(cc1)[*:1] CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](C(=O)[*:1])C(C)C
CC1(C)CC(=O)C2=C(C1)Nc1nc(Cc3ccccc3)nn1[C@@H]2c1ccc2c(c1)OCCCO2 c1cc2OCCCOc2cc1[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc(Cc3ccccc3)nn1[C@H]2[*:1]
CC1(C)CC(=O)C2=C(C1)Nc1nc(Cc3ccccc3)nn1[C@@H]2c1ccc2c(c1)OCCCO2 c1ccc(cc1)[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc(C[*:1])nn1[C@@H]2c1ccc2OCCCOc2c1
CC1(C)CC(=O)C2=C(C1)Nc1nc(Cc3ccccc3)nn1[C@@H]2c1ccc2c(c1)OCCCO2 c1ccc(cc1)C[*:1] CC1(C)CC(=O)C2=C(C1)Nc1nc(nn1[C@@H]2c1ccc2OCCCOc2c1)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccco4)[C@@H]3c3cccs3)ccc2O1 C[C@H]1Cc2cc(ccc2O1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccs2)N1Cc1ccco1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccco4)[C@@H]3c3cccs3)ccc2O1 c1coc(c1)C[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1cccs1)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccco4)[C@@H]3c3cccs3)ccc2O1 c1coc(c1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1cccs1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4ccco4)[C@@H]3c3cccs3)ccc2O1 c1csc(c1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1[*:1]
CCOc1ccc(Br)cc1/C=C/C(=O)NCCC(=O)[O-] O=C([O-])[*:1] CCOc1ccc(Br)cc1/C=C/C(=O)NCC[*:1]
CCOc1ccc(Br)cc1/C=C/C(=O)NCCC(=O)[O-] O=C([O-])CC[*:1] CCOc1ccc(Br)cc1/C=C/C(=O)N[*:1]
CCOc1ccc(Br)cc1/C=C/C(=O)NCCC(=O)[O-] CCO[*:1] O=C([O-])CCNC(=O)/C=C/c1cc(Br)ccc1[*:1]
CCOc1ccc(Br)cc1/C=C/C(=O)NCCC(=O)[O-] O=C([O-])C[*:1] CCOc1ccc(Br)cc1/C=C/C(=O)NC[*:1]
COCCS(=O)(=O)/N=C(\[O-])c1nccc2ccccc12 COC[*:1] O=S(=O)(C[*:1])/N=C(\[O-])c1nccc2ccccc12
COCCS(=O)(=O)/N=C(\[O-])c1nccc2ccccc12 COCC[*:1] O=S(=O)(/N=C(\[O-])c1nccc2ccccc12)[*:1]
Cc1csc([C@H](OC(=O)[C@H]2CCCN(C(N)=O)C2)C(F)(F)F)n1 FC(F)(F)[*:1] Cc1csc(n1)[C@H](OC(=O)[C@H]1CCCN(C1)C(N)=O)[*:1]
Cc1csc([C@H](OC(=O)[C@H]2CCCN(C(N)=O)C2)C(F)(F)F)n1 Cc1csc(n1)[*:1] NC(=O)N1CCC[C@@H](C1)C(=O)O[C@H](C(F)(F)F)[*:1]
CCn1c(SCC(=O)Nc2ccccc2C)nc2sc3c(c2c1=O)CCN(C)C3 Cc1ccccc1[*:1] CCn1c(nc2sc3CN(C)CCc3c2c1=O)SCC(=O)N[*:1]
COc1ccc(C2(NC(=O)c3cc(NC(C)=O)ccc3F)CCCC2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc(F)c(c1)C(=O)NC1(CCCC1)[*:1]
COc1ccc(C2(NC(=O)c3cc(NC(C)=O)ccc3F)CCCC2)cc1 CC(=O)N[*:1] COc1ccc(cc1)C1(CCCC1)NC(=O)c1cc(ccc1F)[*:1]
CC(C)C[C@H](CNC(=O)Nc1ccccc1Br)C(=O)[O-] O=C([O-])[*:1] CC(C)C[C@H](CNC(=O)Nc1ccccc1Br)[*:1]
CC(C)C[C@H](CNC(=O)Nc1ccccc1Br)C(=O)[O-] CC(C)[*:1] O=C(NC[C@@H](C[*:1])C(=O)[O-])Nc1ccccc1Br
CC(C)C[C@H](CNC(=O)Nc1ccccc1Br)C(=O)[O-] CC(C)C[*:1] O=C(NC[C@H](C(=O)[O-])[*:1])Nc1ccccc1Br
Cc1cnc(C[S@](=O)Cc2nc(-c3ccc(Cl)cc3)no2)o1 Clc1ccc(cc1)[*:1] Cc1cnc(C[S@](=O)Cc2nc(no2)[*:1])o1
Cc1cnc(C[S@](=O)Cc2nc(-c3ccc(Cl)cc3)no2)o1 Cc1cnc(o1)[*:1] O=[S@](Cc1nc(no1)-c1ccc(Cl)cc1)C[*:1]
Cc1cnc(C[S@](=O)Cc2nc(-c3ccc(Cl)cc3)no2)o1 Cc1cnc(C[*:1])o1 O=[S@](Cc1nc(no1)-c1ccc(Cl)cc1)[*:1]
[NH2+]=C1NC[C@H]([C@@H]2CCOC2)N1c1ccc(Cl)c(Br)c1 C1C[C@H](CO1)[*:1] [NH2+]=C1NC[C@H](N1c1ccc(Cl)c(Br)c1)[*:1]
CCOC(=O)C1=C(N)OC(C)=C(C#N)[C@@H]1c1ccco1 c1coc(c1)[*:1] CCOC(=O)C1=C(N)OC(C)=C(C#N)[C@H]1[*:1]
CCOC(=O)C1=C(N)OC(C)=C(C#N)[C@@H]1c1ccco1 CCOC(=O)[*:1] CC1OC(N)=C([C@H](C=1C#N)c1ccco1)[*:1]
CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCS(=O)CC2)cc1 O=S1CCN(CC1)[*:1] CCOc1ccc(cc1)[C@@H](C)[NH2+]CC(C)(C)[*:1]
CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCS(=O)CC2)cc1 CCO[*:1] C[C@@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)c1ccc(cc1)[*:1]
COc1cc(C)ccc1NC(=O)N[C@H](C)CCCO C[C@H](CCCO)[*:1] COc1cc(C)ccc1NC(=O)N[*:1]
COc1cc(C)ccc1NC(=O)N[C@H](C)CCCO OCC[*:1] COc1cc(C)ccc1NC(=O)N[C@H](C)C[*:1]
COc1cc(C)ccc1NC(=O)N[C@H](C)CCCO OCCC[*:1] COc1cc(C)ccc1NC(=O)N[C@H](C)[*:1]
O=C(c1cn(-c2ccccc2)nn1)N1CC=C(c2ccccc2Cl)CC1 c1ccc(cc1)[*:1] O=C(c1cn(nn1)[*:1])N1CC=C(CC1)c1ccccc1Cl
O=C(c1cn(-c2ccccc2)nn1)N1CC=C(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(c1cn(nn1)-c1ccccc1)N1CC=C(CC1)[*:1]
C[C@H](C#N)N(C)[C@@H]1CCOC2(CCCCC2)C1 C[C@H](C#N)[*:1] CN([C@@H]1CCOC2(CCCCC2)C1)[*:1]
Cc1cc(NC(=O)c2cc(C)on2)c2ncccc2c1 Cc1cc(no1)[*:1] Cc1cc(NC(=O)[*:1])c2ncccc2c1
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NOCc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])NOCc1ccccc1
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NOCc1ccccc1 c1ccc(cc1)[*:1] O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NOC[*:1]
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NOCc1ccccc1 c1ccc(cc1)C[*:1] O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NO[*:1]
O=C(/N=C1/c2ccccc2CN1c1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(/N=C1/c2ccccc2CN1c1ccc(I)cc1)c1cccc(c1)[*:1]
O=C(/N=C1/c2ccccc2CN1c1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 Ic1ccc(cc1)[*:1] O=C(/N=C1/c2ccccc2CN1[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(/N=C1/c2ccccc2CN1c1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(/N=C1/c2ccccc2CN1c1ccc(I)cc1)[*:1]
COc1cccc(SCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 COc1cccc(c1)[*:1] C[C@@H](NC(=O)CS[*:1])c1nc2ccccc2[nH]1
C=CCC[C@H](C)OC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 Fc1ccccc1[*:1] C=CCC[C@H](C)OC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
C=CCC[C@H](C)OC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 C=CCC[*:1] C[C@H](OC(=O)[C@H]1CCCN(C1)C(=O)Nc1ccccc1F)[*:1]
C=CCC[C@H](C)OC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 C=CC[*:1] C[C@@H](C[*:1])OC(=O)[C@H]1CCCN(C1)C(=O)Nc1ccccc1F
CCS(=O)(=O)[N-]c1ccc([C@H](C)[NH2+]Cc2nc(C)sc2C)cc1 Cc1nc(c(C)s1)[*:1] CCS(=O)(=O)[N-]c1ccc(cc1)[C@H](C)[NH2+]C[*:1]
Cc1ccnc2c1nc([C@@H](C)Cl)n2CCC[NH+]1CCCC1 C[C@@H](Cl)[*:1] Cc1ccnc2c1nc(n2CCC[NH+]1CCCC1)[*:1]
CCn1c(=O)[nH]c2cc(C(=O)N3C[C@H](c4cc(C)ccc4C)OC[C@H]3C)ccc2c1=O Cc1ccc(C)c(c1)[*:1] CCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N1C[C@H](OC[C@H]1C)[*:1]
CCc1nnc(SCC(=O)N(CC)c2cccc(C)c2)c2cc3sccc3n12 Cc1cccc(c1)[*:1] CCc1nnc(SCC(=O)N(CC)[*:1])c2cc3sccc3n12
CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)NC)c2)cc1 CCOC(=O)[*:1] CNC(=O)c1cccc(c1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)NC)c2)cc1 CNC(=O)[*:1] CCOC(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[*:1]
NC(=O)[C@@H]1CCCN1c1ncnc2c1oc1ccccc12 NC(=O)[*:1] c1ccc2c(c1)oc1c(ncnc12)N1CCC[C@H]1[*:1]
CSCC[C@H](C)N(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 c1ccc(cc1)[*:1] CSCC[C@H](C)N(C)C(=O)N[C@@H](C1CCC1)[*:1]
CSCC[C@H](C)N(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 CSC[*:1] C[C@@H](C[*:1])N(C)C(=O)N[C@@H](c1ccccc1)C1CCC1
CSCC[C@H](C)N(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 C1CC(C1)[*:1] CSCC[C@H](C)N(C)C(=O)N[C@@H](c1ccccc1)[*:1]
CSCC[C@H](C)N(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 CSCC[*:1] C[C@H](N(C)C(=O)N[C@@H](c1ccccc1)C1CCC1)[*:1]
Cc1noc([C@@H](C)S(=O)(=O)c2nnc(C)n2-c2ccccc2C)n1 Cc1ccccc1[*:1] Cc1noc(n1)[C@@H](C)S(=O)(=O)c1nnc(C)n1[*:1]
Cc1noc([C@@H](C)S(=O)(=O)c2nnc(C)n2-c2ccccc2C)n1 Cc1noc(n1)[*:1] Cc1ccccc1-n1c(C)nnc1S(=O)(=O)[C@H](C)[*:1]
Cc1n[nH]c2ncc(NC(=O)NC[C@H]3CCCO[C@H]3C(C)C)cc12 CC(C)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NC[C@H]1CCCO[C@@H]1[*:1]
COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C Fc1ccccc1[*:1] COc1ccccc1N1CCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C Fc1ccccc1C[*:1] COc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C COc1ccccc1[*:1] Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1nc1N(CCn12)[*:1]
O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccccc1F FC(F)(F)[*:1] O=C(N[C@H]1CCCC[C@@H]1[*:1])c1ccccc1F
C[NH2+][C@]1(C(=O)[O-])CC[C@@H](OCCCc2ccccc2)C1 c1ccc(cc1)[*:1] C[NH2+][C@@]1(CC[C@H](C1)OCCC[*:1])C(=O)[O-]
C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CSc1nnc(-c2ccc3OCOc3c2)n1[*:1]
C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)C1 c1cc2OCOc2cc1[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
O=C(CSc1ccc(F)cc1)NNc1ccc(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(CSc1ccc(F)cc1)NNc1ccc(nn1)[*:1]
O=C(CSc1ccc(F)cc1)NNc1ccc(-c2ccccc2)nn1 Fc1ccc(cc1)[*:1] O=C(CS[*:1])NNc1ccc(nn1)-c1ccccc1
O=C(CSc1ccc(F)cc1)NNc1ccc(-c2ccccc2)nn1 Fc1ccc(cc1)S[*:1] O=C(C[*:1])NNc1ccc(nn1)-c1ccccc1
COCCNC(=O)CN1CCN(C(=O)c2cccc(F)c2Cl)CC1 COCCNC(=O)C[*:1] O=C(c1cccc(F)c1Cl)N1CCN(CC1)[*:1]
COCCNC(=O)CN1CCN(C(=O)c2cccc(F)c2Cl)CC1 COCCNC(=O)[*:1] O=C(c1cccc(F)c1Cl)N1CCN(CC1)C[*:1]
COCCNC(=O)CN1CCN(C(=O)c2cccc(F)c2Cl)CC1 COCC[*:1] O=C(CN1CCN(CC1)C(=O)c1cccc(F)c1Cl)N[*:1]
COCCNC(=O)CN1CCN(C(=O)c2cccc(F)c2Cl)CC1 Fc1cccc(c1Cl)[*:1] COCCNC(=O)CN1CCN(CC1)C(=O)[*:1]
COCCNC(=O)CN1CCN(C(=O)c2cccc(F)c2Cl)CC1 COC[*:1] O=C(CN1CCN(CC1)C(=O)c1cccc(F)c1Cl)NC[*:1]
CCC(CC)N(CC(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C CC(C)[*:1] CCC(CC)N(C[*:1])C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C
CCC(CC)N(CC(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C CCC(CC)[*:1] CC(C)CN(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)[*:1]
CCC(CC)N(CC(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C CC(C)C[*:1] CCC(CC)N(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)[*:1]
CCC(CC)N(CC(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C O=C([O-])[*:1] CCC(CC)N(CC(C)C)C(=O)N1CC[C@@H]([C@@H]1C)[*:1]
O=C([O-])c1ccc(C[NH+]2CC3(CCCCCC3)C2)o1 O=C([O-])[*:1] c1cc(oc1C[NH+]1CC2(CCCCCC2)C1)[*:1]
CC(C)Cn1ccnc(Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1=O CC(C)C[*:1] C[NH+](C)CCn1c(=O)oc2ccc(cc21)Nc1nccn(c1=O)[*:1]
CC(C)Cn1ccnc(Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1=O CC(C)[*:1] C[NH+](C)CCn1c(=O)oc2ccc(cc21)Nc1nccn(C[*:1])c1=O
CO[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CO[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)[NH2+]CC(=O)NC(C)(C)C CC(C)(C)[*:1] CC(C)[NH2+]CC(=O)N[*:1]
CC(C)[NH2+]CC(=O)NC(C)(C)C CC(C)[*:1] CC(C)(C)NC(=O)C[NH2+][*:1]
COc1ccc([C@H](N)C(F)(F)F)c(C(=O)[O-])c1 FC(F)(F)[*:1] COc1ccc(c(c1)C(=O)[O-])[C@H](N)[*:1]
COc1ccc([C@H](N)C(F)(F)F)c(C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(c(c1)[*:1])[C@H](N)C(F)(F)F
COc1ccc(-c2nc(NC(=O)c3cc(C)nn3C)sc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(C(=O)Nc2nc(c(C)s2)[*:1])n(C)n1
COc1ccc(-c2nc(NC(=O)c3cc(C)nn3C)sc2C)cc1 Cc1cc(n(C)n1)[*:1] COc1ccc(cc1)-c1nc(NC(=O)[*:1])sc1C
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cn1nc(-c2ccccc2)oc1=O O=S(=O)(N1CCCCCC1)[*:1] COc1ccc(cc1NC(=O)Cn1nc(oc1=O)-c1ccccc1)[*:1]
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cn1nc(-c2ccccc2)oc1=O c1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)Cn1nc(oc1=O)[*:1])S(=O)(=O)N1CCCCCC1
CCCn1cc(-c2ccncc2)cc1C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CCCn1cc(cc1C(=O)N1CCN(CC1)[*:1])-c1ccncc1
CCCn1cc(-c2ccncc2)cc1C(=O)N1CCN(c2ccccc2)CC1 CCC[*:1] O=C(c1cc(cn1[*:1])-c1ccncc1)N1CCN(CC1)c1ccccc1
CCCn1cc(-c2ccncc2)cc1C(=O)N1CCN(c2ccccc2)CC1 c1cc(ccn1)[*:1] CCCn1cc(cc1C(=O)N1CCN(CC1)c1ccccc1)[*:1]
CCC[NH+]1CC=C(CNC(=O)c2cccc3c2OC(F)(F)O3)CC1 CCC[*:1] O=C(NCC1=CC[NH+](CC1)[*:1])c1cccc2OC(F)(F)Oc21
CN(Cc1ccccc1)C(=O)CCN1C(=O)COc2ccccc21 c1ccc(cc1)C[*:1] CN(C(=O)CCN1C(=O)COc2ccccc21)[*:1]
CN(Cc1ccccc1)C(=O)CCN1C(=O)COc2ccccc21 c1ccc(cc1)[*:1] CN(C[*:1])C(=O)CCN1C(=O)COc2ccccc21
O=C(NCC1CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F C1CC(C1)[*:1] O=C(NC[*:1])C(=O)Nc1cc(ccc1OC(F)F)[N+](=O)[O-]
O=C(NCC1CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F C1CC(C1)C[*:1] O=C(Nc1cc(ccc1OC(F)F)[N+](=O)[O-])C(=O)N[*:1]
O=C(NCC1CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F FC(F)[*:1] O=C(NCC1CCC1)C(=O)Nc1cc(ccc1O[*:1])[N+](=O)[O-]
O=C(NCC1CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F FC(F)O[*:1] O=C(NCC1CCC1)C(=O)Nc1cc(ccc1[*:1])[N+](=O)[O-]
O=C(NCC1CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F O=[N+]([O-])[*:1] O=C(NCC1CCC1)C(=O)Nc1cc(ccc1OC(F)F)[*:1]
Cc1ccc(-c2nc(N3C[C@H](C)O[C@H](C)C3)ncc2-c2cncnc2)cc1 c1ncc(cn1)[*:1] Cc1ccc(cc1)-c1nc(ncc1[*:1])N1C[C@H](C)O[C@H](C)C1
Cc1ccc(-c2nc(N3C[C@H](C)O[C@H](C)C3)ncc2-c2cncnc2)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ncc(-c2cncnc2)c(n1)[*:1]
C[C@@H]1C[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] C[C@@H]1C[C@H]1NC(=O)c1cc(ccc1F)[*:1]
COc1ccc([C@H]2CCCN2C(=O)CCS(C)(=O)=O)cc1 CS(=O)(=O)[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)CC[*:1]
COc1ccc([C@H]2CCCN2C(=O)CCS(C)(=O)=O)cc1 CS(=O)(=O)CC[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)[*:1]
COc1ccc([C@H]2CCCN2C(=O)CCS(C)(=O)=O)cc1 CS(=O)(=O)C[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)C[*:1]
CC(C)c1ocnc1C[S@@](=O)CC(=O)N[C@@H](C)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)c1ocnc1C[S@@](=O)CC(=O)N[C@@H](C)[*:1]
CC(C)c1ocnc1C[S@@](=O)CC(=O)N[C@@H](C)c1ccccc1Cl CC(C)[*:1] C[C@H](NC(=O)C[S@](=O)Cc1ncoc1[*:1])c1ccccc1Cl
CCOC(=O)C(=O)C1=C(c2cccs2)[C@H]2C=C[C@@H]1C2 c1csc(c1)[*:1] CCOC(=O)C(=O)C1=C([C@H]2C=C[C@@H]1C2)[*:1]
Cc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[NH+](C)C)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)[C@H](CNC(=O)c1cc(Cl)ccc1[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[*:1]
CC(C)(C)c1noc(CCCC(=O)NNC(=O)c2ccc(Cl)nc2)n1 CC(C)(C)[*:1] O=C(CCCc1nc(no1)[*:1])NNC(=O)c1ccc(Cl)nc1
CC(C)(C)c1noc(CCCC(=O)NNC(=O)c2ccc(Cl)nc2)n1 Clc1ccc(cn1)[*:1] CC(C)(C)c1noc(CCCC(=O)NNC(=O)[*:1])n1
C[C@H](Cc1cccs1)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 c1csc(c1)C[*:1] C[C@H](NC(=O)Nc1ccc(cc1)C(=O)N1CCCC1)[*:1]
C[C@H](Cc1cccs1)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] C[C@H](Cc1cccs1)NC(=O)Nc1ccc(cc1)[*:1]
C[C@H](Cc1cccs1)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 c1csc(c1)[*:1] C[C@H](C[*:1])NC(=O)Nc1ccc(cc1)C(=O)N1CCCC1
CN(C)C(=O)COc1cccc(CNC(=O)NC2CCCCC2)c1 CN(C)C(=O)CO[*:1] O=C(NCc1cccc(c1)[*:1])NC1CCCCC1
CN(C)C(=O)COc1cccc(CNC(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] CN(C)C(=O)COc1cccc(c1)CNC(=O)N[*:1]
CN(C)C(=O)COc1cccc(CNC(=O)NC2CCCCC2)c1 CN(C)C(=O)C[*:1] O=C(NCc1cccc(c1)O[*:1])NC1CCCCC1
CN(C)C(=O)COc1cccc(CNC(=O)NC2CCCCC2)c1 CN(C)C(=O)[*:1] O=C(NCc1cccc(c1)OC[*:1])NC1CCCCC1
CCCC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 c1ccc(cc1)[*:1] CCCC(=O)N(C[*:1])[C@H](C)CN1CCOCC1
CCCC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 CCC[*:1] C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)[*:1]
CCCC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 C1CN(CCO1)C[*:1] CCCC(=O)N(Cc1ccccc1)[C@H](C)[*:1]
CCCC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 c1ccc(cc1)C[*:1] CCCC(=O)N([C@H](C)CN1CCOCC1)[*:1]
CCCC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 C1CN(CCO1)[*:1] CCCC(=O)N(Cc1ccccc1)[C@H](C)C[*:1]
Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H]1N=C=O O=C=N[*:1] Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H]1[*:1]
O=C(NCc1ccccc1)N1CCC[C@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCc1ccccc1)N1CCC[C@@H]1[*:1]
O=C(NCc1ccccc1)N1CCC[C@H]1c1cccc(F)c1 c1ccc(cc1)C[*:1] O=C(N[*:1])N1CCC[C@H]1c1cccc(F)c1
O=C(NCc1ccccc1)N1CCC[C@H]1c1cccc(F)c1 c1ccc(cc1)[*:1] O=C(NC[*:1])N1CCC[C@H]1c1cccc(F)c1
CCC1(C(=O)N[C@H](C)CC(=O)[O-])CCCC1 O=C([O-])[*:1] CCC1(CCCC1)C(=O)N[C@H](C)C[*:1]
CCC1(C(=O)N[C@H](C)CC(=O)[O-])CCCC1 O=C([O-])C[*:1] CCC1(CCCC1)C(=O)N[C@H](C)[*:1]
CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)NCc1ccccc1C[NH+](C)C CC(C)[*:1] C[C@H]1C[C@H]1CN(C(=O)NCc1ccccc1C[NH+](C)C)[*:1]
CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 CS(=O)(=O)C[*:1] O=C(NC[*:1])C(=O)Nc1ccc(F)c(c1)C(F)(F)F
CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 CS(=O)(=O)[*:1] O=C(NCC[*:1])C(=O)Nc1ccc(F)c(c1)C(F)(F)F
CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 CS(=O)(=O)CC[*:1] O=C(Nc1ccc(F)c(c1)C(F)(F)F)C(=O)N[*:1]
CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(c1)[*:1]
COc1ccccc1-c1csc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n1 COc1ccccc1[*:1] CC1(C)[C@@H](C(=O)Nc2nc(cs2)[*:1])[C@H]1C(=O)[O-]
O=C(COc1ccc2nccnc2c1)NC(C1CC1)C1CC1 C1CC1[*:1] O=C(COc1ccc2nccnc2c1)NC(C1CC1)[*:1]
O=C(COc1ccc2nccnc2c1)NC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] O=C(COc1ccc2nccnc2c1)N[*:1]
COc1ccc(NC(=O)C(=O)NCC(N)=S)cc1OC NC(=S)C[*:1] COc1ccc(cc1OC)NC(=O)C(=O)N[*:1]
COc1ccc(NC(=O)C(=O)NCC(N)=S)cc1OC NC(=S)[*:1] COc1ccc(cc1OC)NC(=O)C(=O)NC[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(OC(C)C)c2)n2nnnc2N1 CC(C)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)Nc1ccc(C)cc1)c1cccc(c1)O[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(OC(C)C)c2)n2nnnc2N1 CC(C)O[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)Nc1ccc(C)cc1)c1cccc(c1)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(OC(C)C)c2)n2nnnc2N1 Cc1ccc(cc1)[*:1] CC1Nc2nnnn2[C@H](C=1C(=O)N[*:1])c1cccc(c1)OC(C)C
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(OC(C)C)c2)n2nnnc2N1 Cc1ccc(cc1)NC(=O)[*:1] CC1Nc2nnnn2[C@H](C=1[*:1])c1cccc(c1)OC(C)C
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(OC(C)C)c2)n2nnnc2N1 CC(C)Oc1cccc(c1)[*:1] CC1Nc2nnnn2[C@@H](C=1C(=O)Nc1ccc(C)cc1)[*:1]
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1nc(cs1)[*:1]
CC(C)[C@H]([NH2+]Cc1cc(F)ccc1CS(C)(=O)=O)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@H]([NH2+]Cc1cc(F)ccc1CS(C)(=O)=O)[*:1]
CC(C)[C@H]([NH2+]Cc1cc(F)ccc1CS(C)(=O)=O)c1cccnc1 CS(=O)(=O)[*:1] CC(C)[C@H]([NH2+]Cc1cc(F)ccc1C[*:1])c1cccnc1
CC(C)[C@H]([NH2+]Cc1cc(F)ccc1CS(C)(=O)=O)c1cccnc1 CS(=O)(=O)C[*:1] CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[*:1])c1cccnc1
CC(C)[C@H]([NH2+]Cc1cc(F)ccc1CS(C)(=O)=O)c1cccnc1 CC(C)[*:1] CS(=O)(=O)Cc1ccc(F)cc1C[NH2+][C@H](c1cccnc1)[*:1]
CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2O)n1 CC(C)(C)[*:1] N#Cc1cn(nc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1O)[*:1]
C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1 Fc1ccc(cc1)[*:1] C[C@H]([NH2+][C@H]1CCC[C@H]1[*:1])c1ccc2[nH]c(=O)[nH]c2c1
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)s2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)-c1nc(C)c(s1)[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)[*:1]
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)s2)cc1 Cc1ccc(cc1)[*:1] Cc1nc(sc1[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)[*:1]
[NH3+][N-]C1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 O=[N+]([O-])[*:1] [NH3+][N-]C1=NS(=O)(=O)c2cc(ccc21)[*:1]
O=C(Cn1c(=O)c(N2CCCCC2)nc2ccccc21)Nc1ccccc1C(F)(F)F C1CCN(CC1)[*:1] O=C(Cn1c(=O)c(nc2ccccc21)[*:1])Nc1ccccc1C(F)(F)F
O=C(Cn1c(=O)c(N2CCCCC2)nc2ccccc21)Nc1ccccc1C(F)(F)F FC(F)(F)c1ccccc1[*:1] O=C(Cn1c(=O)c(nc2ccccc21)N1CCCCC1)N[*:1]
O=C(Cn1c(=O)c(N2CCCCC2)nc2ccccc21)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] O=C(Cn1c(=O)c(nc2ccccc21)N1CCCCC1)Nc1ccccc1[*:1]
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cccnc1 c1cncc(c1)[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)N[*:1]
CCc1ccc(NC(=O)Cc2nc(Cc3ccc(C)cc3)n[nH]2)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(cc1)Cc1n[nH]c(CC(=O)N[*:1])n1
CCc1ccc(NC(=O)Cc2nc(Cc3ccc(C)cc3)n[nH]2)cc1 Cc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)Cc1nc(C[*:1])n[nH]1
CCc1ccc(NC(=O)Cc2nc(Cc3ccc(C)cc3)n[nH]2)cc1 Cc1ccc(cc1)C[*:1] CCc1ccc(cc1)NC(=O)Cc1nc(n[nH]1)[*:1]
C[C@H]1CCCCN1C(=O)N[C@@H](c1ccccc1)c1ccco1 c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)N[C@@H](c1ccco1)[*:1]
C[C@H]1CCCCN1C(=O)N[C@@H](c1ccccc1)c1ccco1 c1coc(c1)[*:1] C[C@H]1CCCCN1C(=O)N[C@@H](c1ccccc1)[*:1]
CC[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1cccc(c1)S(C)(=O)=O)[*:1]
CC[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1 CS(=O)(=O)[*:1] CC[C@H](NC(=O)c1cccc(c1)[*:1])c1ccc(C)cc1
COCc1cc(C(=O)NCC(=O)N2CCc3ccccc3C2)no1 COCc1cc(no1)[*:1] O=C(CNC(=O)[*:1])N1CCc2ccccc2C1
COCc1cc(C(=O)NCC(=O)N2CCc3ccccc3C2)no1 COC[*:1] O=C(NCC(=O)N1CCc2ccccc2C1)c1cc(on1)[*:1]
COc1ccc(F)cc1C[S@](=O)Cc1csc([C@H](C)OC)n1 CO[C@@H](C)[*:1] COc1ccc(F)cc1C[S@](=O)Cc1csc(n1)[*:1]
COc1cccc(NC(=O)CCN2C(=O)[C@@H]3Cc4cc(OC)c(OC)cc4CN3C2=O)c1 COc1cccc(c1)[*:1] COc1cc2C[C@H]3C(=O)N(CCC(=O)N[*:1])C(=O)N3Cc2cc1OC
CSCC[C@H]([NH3+])C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 CSC[*:1] [NH3+][C@@H](C[*:1])C(=O)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F
CSCC[C@H]([NH3+])C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CSCC[C@H]([NH3+])C(=O)N1CCC(O)(CC1)c1cccc(c1)[*:1]
CSCC[C@H]([NH3+])C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 CSCC[*:1] [NH3+][C@H](C(=O)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)[*:1]
CC(=O)Nc1c(C)cc(N[C@H](C)C(=O)Nc2ccccc2Cl)cc1C Clc1ccccc1[*:1] CC(=O)Nc1c(C)cc(cc1C)N[C@H](C)C(=O)N[*:1]
CC(=O)Nc1c(C)cc(N[C@H](C)C(=O)Nc2ccccc2Cl)cc1C CC(=O)N[*:1] Cc1cc(cc(C)c1[*:1])N[C@H](C)C(=O)Nc1ccccc1Cl
CC1(C)Cc2cccc(C[NH2+]Cc3cccc(F)c3)c2O1 Fc1cccc(c1)[*:1] CC1(C)Cc2cccc(C[NH2+]C[*:1])c2O1
Cc1cccc(C(=O)OCc2nc(C3CC3)cs2)c1Cl C1CC1[*:1] Cc1cccc(C(=O)OCc2nc(cs2)[*:1])c1Cl
NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccccc2N2CCCCC2)c1 C1CCN(CC1)[*:1] NS(=O)(=O)c1ccc(Br)c(c1)C(=O)Nc1ccccc1[*:1]
NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccccc2N2CCCCC2)c1 NS(=O)(=O)[*:1] O=C(Nc1ccccc1N1CCCCC1)c1cc(ccc1Br)[*:1]
CN(Cc1cccs1)C(=O)Nc1cccc(OC2CCCC2)c1 c1csc(c1)[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)OC1CCCC1
CN(Cc1cccs1)C(=O)Nc1cccc(OC2CCCC2)c1 c1csc(c1)C[*:1] CN(C(=O)Nc1cccc(c1)OC1CCCC1)[*:1]
CN(Cc1cccs1)C(=O)Nc1cccc(OC2CCCC2)c1 C1CCC(C1)[*:1] CN(Cc1cccs1)C(=O)Nc1cccc(c1)O[*:1]
CN(Cc1cccs1)C(=O)Nc1cccc(OC2CCCC2)c1 C1CCC(C1)O[*:1] CN(Cc1cccs1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1[*:1]
Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(O)cc2)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc3n(-c4ccc(O)cc4)c(cn23)[*:1])n(C)c1=O
C[C@H](NC(=O)c1ccccc1CSC1=NCCS1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)c1ccccc1CSC1=NCCS1)[*:1]
O=C(Nc1ccccc1-c1cn2c(CN3CC[NH2+]CC3)csc2n1)c1cnccn1 O=C(N[*:1])c1cnccn1 c1ccc(c(c1)-c1cn2c(csc2n1)CN1CC[NH2+]CC1)[*:1]
O=C(Nc1ccccc1-c1cn2c(CN3CC[NH2+]CC3)csc2n1)c1cnccn1 c1cnc(cn1)[*:1] O=C(Nc1ccccc1-c1cn2c(csc2n1)CN1CC[NH2+]CC1)[*:1]
Cc1cccc(-c2cnc(C[NH2+]C[C@@H]3C[C@@H]4C=C[C@H]3C4)s2)n1 Cc1cccc(n1)[*:1] C1=C[C@H]2C[C@@H]1C[C@H]2C[NH2+]Cc1ncc(s1)[*:1]
Cc1nc(-c2cccnc2)nc(N(C)C2CCOCC2)c1C c1cncc(c1)[*:1] Cc1nc(nc(c1C)N(C)C1CCOCC1)[*:1]
Cc1nc(-c2cccnc2)nc(N(C)C2CCOCC2)c1C C1CC(CCO1)[*:1] Cc1nc(nc(c1C)N(C)[*:1])-c1cccnc1
CCOC(=O)[C@](O)(c1cc(C)c2nc(NC(=O)c3ccc(F)cc3)sc2c1)C(F)(F)F CCOC(=O)[*:1] Cc1cc(cc2sc(nc12)NC(=O)c1ccc(F)cc1)[C@@](O)(C(F)(F)F)[*:1]
CCOC(=O)[C@](O)(c1cc(C)c2nc(NC(=O)c3ccc(F)cc3)sc2c1)C(F)(F)F Fc1ccc(cc1)[*:1] CCOC(=O)[C@](O)(c1cc(C)c2nc(NC(=O)[*:1])sc2c1)C(F)(F)F
CCOC(=O)[C@](O)(c1cc(C)c2nc(NC(=O)c3ccc(F)cc3)sc2c1)C(F)(F)F O=C(N[*:1])c1ccc(F)cc1 CCOC(=O)[C@](O)(c1cc(C)c2nc(sc2c1)[*:1])C(F)(F)F
CCOC(=O)[C@](O)(c1cc(C)c2nc(NC(=O)c3ccc(F)cc3)sc2c1)C(F)(F)F FC(F)(F)[*:1] CCOC(=O)[C@](O)(c1cc(C)c2nc(NC(=O)c3ccc(F)cc3)sc2c1)[*:1]
[NH3+]CCn1cc(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)nn1 Fc1cccc(c1)C[*:1] [NH3+]CCn1cc(nn1)C(=O)N1CCO[C@@H](C1)[*:1]
[NH3+]CCn1cc(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)nn1 [NH3+]CC[*:1] O=C(c1cn(nn1)[*:1])N1CCO[C@@H](Cc2cccc(F)c2)C1
[NH3+]CCn1cc(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)nn1 Fc1cccc(c1)[*:1] [NH3+]CCn1cc(nn1)C(=O)N1CCO[C@H](C1)C[*:1]
C#CCNC(=O)N[C@H](c1ccccc1)C(F)(F)F FC(F)(F)[*:1] C#CCNC(=O)N[C@H](c1ccccc1)[*:1]
C#CCNC(=O)N[C@H](c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] C#CCNC(=O)N[C@H](C(F)(F)F)[*:1]
C#CCNC(=O)N[C@H](c1ccccc1)C(F)(F)F C#CC[*:1] O=C(N[C@H](c1ccccc1)C(F)(F)F)N[*:1]
O=C(c1ccncc1C#CCCO)N1CCCC1 OCCC#C[*:1] O=C(c1ccncc1[*:1])N1CCCC1
O=C(c1ccncc1C#CCCO)N1CCCC1 OCC[*:1] O=C(c1ccncc1C#C[*:1])N1CCCC1
O=C(NNS(=O)(=O)c1ccccc1Cl)c1cc2c(s1)CCCCCC2 Clc1ccccc1[*:1] O=C(NNS(=O)(=O)[*:1])c1cc2CCCCCCc2s1
CCc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1 CCc1ccc(cc1)[*:1] O=C(COc1ccc(cc1)-n1cnnn1)N[*:1]
CCc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1 c1nnnn1[*:1] CCc1ccc(cc1)NC(=O)COc1ccc(cc1)[*:1]
C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)C1CC1 C[C@@H](C1CC1)[*:1] C[C@H](NC(=O)N(C)[*:1])C1CC1
C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)C1CC1 C[C@H](C1CC1)[*:1] C[C@@H](C1CC1)N(C)C(=O)N[*:1]
C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C)C(=O)N[C@@H](C)[*:1]
C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)C1CC1 C1CC1[*:1] C[C@H](NC(=O)N(C)[C@@H](C)[*:1])C1CC1
C[C@H](c1cccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)c1)[NH+](C)C O=C([O-])[*:1] C[C@H](c1cccc(c1)-c1cc(cc(c1)[*:1])S(=O)(=O)N1CCOCC1)[NH+](C)C
C[C@H](c1cccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)c1)[NH+](C)C O=S(=O)(N1CCOCC1)[*:1] C[C@H](c1cccc(c1)-c1cc(cc(c1)[*:1])C(=O)[O-])[NH+](C)C
CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(C)CC1 CSC[*:1] CC1CCN(CC1)C(=O)[C@@H](C[*:1])NS(=O)(=O)c1ccccc1
CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(C)CC1 c1ccc(cc1)[*:1] CSCC[C@@H](NS(=O)(=O)[*:1])C(=O)N1CCC(C)CC1
CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC(C)CC1 CSCC[*:1] CC1CCN(CC1)C(=O)[C@H](NS(=O)(=O)c1ccccc1)[*:1]
Cc1nc(-c2ccc(CNC(=O)c3cccc(C#N)c3)s2)cs1 Cc1nc(cs1)[*:1] N#Cc1cccc(c1)C(=O)NCc1ccc(s1)[*:1]
CCOC(=O)N1CCC([NH2+]CCc2cccc(C(N)=O)c2)CC1 NC(=O)[*:1] CCOC(=O)N1CCC(CC1)[NH2+]CCc1cccc(c1)[*:1]
O=C1NCC2(CCN(C(=O)c3c(F)cccc3Cl)CC2)Oc2ccccc21 Fc1cccc(Cl)c1[*:1] O=C1NCC2(CCN(CC2)C(=O)[*:1])Oc2ccccc21
C[NH+]1CCCN(CC2(CO)COC2)c2cc(F)ccc21 OCC1(COC1)[*:1] C[NH+]1CCCN(C[*:1])c2cc(F)ccc21
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NNc1cccnn1 C1CCN(CC1)[*:1] O=C(NCc1cc[nH+]c(c1)[*:1])NNc1cccnn1
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NNc1cccnn1 c1cnnc(c1)[*:1] O=C(NCc1cc[nH+]c(c1)N1CCCCC1)NN[*:1]
O=C(c1cc(F)cc(F)c1)N1CCN(C[C@@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cc(F)cc(F)c1)N1CCN(CC1)C[C@@H](O)[*:1]
O=C(c1cc(F)cc(F)c1)N1CCN(C[C@@H](O)c2ccccc2)CC1 Fc1cc(F)cc(c1)[*:1] O=C(N1CCN(CC1)C[C@@H](O)c1ccccc1)[*:1]
O=C(c1cc(F)cc(F)c1)N1CCN(C[C@@H](O)c2ccccc2)CC1 O[C@@H](c1ccccc1)[*:1] O=C(c1cc(F)cc(F)c1)N1CCN(CC1)C[*:1]
Cc1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] Cc1cc(cc(c1F)[*:1])S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C
CCc1nnc(NC(=O)NCCc2cc(Br)ccc2F)s1 CCc1nnc(s1)[*:1] O=C(NCCc1cc(Br)ccc1F)N[*:1]
[NH3+]CC[C@@H]1CCCCN1C(=O)Cc1ccc(F)c(F)c1 [NH3+]CC[*:1] O=C(Cc1ccc(F)c(F)c1)N1CCCC[C@H]1[*:1]
CCCCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCCCC(=O)Nc1ccc(cc1)C(=O)NN=C(C)[*:1]
CCCCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1 CCCC[*:1] C/C(=N\NC(=O)c1ccc(cc1)NC(=O)[*:1])c1ccc(Cl)cc1
CCCCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1 CCCCC(=O)N[*:1] C/C(=N\NC(=O)c1ccc(cc1)[*:1])c1ccc(Cl)cc1
CCCCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1 CCC[*:1] C/C(=N\NC(=O)c1ccc(cc1)NC(=O)C[*:1])c1ccc(Cl)cc1
Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1 Cc1ccc(C=C[*:1])c(C)c1 O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)[*:1]
Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)C(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)c1 c1cc2OCOc2cc1[*:1] Cc1ccc(/C=C/C(=O)N2CCC(CC2)C(=O)N[*:1])c(C)c1
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC=C(c2cccs2)CC1 c1csc(c1)[*:1] CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC=C(CC1)[*:1]
C[C@H]1CCCN(C(=O)Nc2ccc(CCN3CCOCC3)cc2)[C@@H]1CO C1CN(CCO1)[*:1] C[C@H]1CCCN(C(=O)Nc2ccc(cc2)CC[*:1])[C@@H]1CO
C[C@H]1CCCN(C(=O)Nc2ccc(CCN3CCOCC3)cc2)[C@@H]1CO C1CN(CCO1)CC[*:1] C[C@H]1CCCN(C(=O)Nc2ccc(cc2)[*:1])[C@@H]1CO
C[C@H]1CCCN(C(=O)Nc2ccc(CCN3CCOCC3)cc2)[C@@H]1CO C1CN(CCO1)C[*:1] C[C@H]1CCCN(C(=O)Nc2ccc(cc2)C[*:1])[C@@H]1CO
C[C@@H](CC(=O)Nc1c(F)cccc1N1CCCC1)NC(=O)C1CCCC1 C1CCN(C1)[*:1] C[C@@H](CC(=O)Nc1c(F)cccc1[*:1])NC(=O)C1CCCC1
C[C@@H](CC(=O)Nc1c(F)cccc1N1CCCC1)NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 C[C@@H](CC(=O)Nc1c(F)cccc1N1CCCC1)[*:1]
C[C@@H](CC(=O)Nc1c(F)cccc1N1CCCC1)NC(=O)C1CCCC1 C1CCC(C1)[*:1] C[C@@H](CC(=O)Nc1c(F)cccc1N1CCCC1)NC(=O)[*:1]
CCn1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 c1csc(c1)[*:1] CCn1cc(cn1)CN1CCC[C@@H](C1)c1cc(=O)[nH]c(n1)[*:1]
CCn1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 CCn1cc(cn1)[*:1] O=c1cc(nc([nH]1)-c1cccs1)[C@H]1CCCN(C1)C[*:1]
CCn1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 CCn1cc(cn1)C[*:1] O=c1cc(nc([nH]1)-c1cccs1)[C@H]1CCCN(C1)[*:1]
COCCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C)C2)cc1 COCC[*:1] C[C@@H]1CCC[C@H](C1)NS(=O)(=O)c1ccc(cc1)O[*:1]
COCCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C)C2)cc1 COCCO[*:1] C[C@@H]1CCC[C@H](C1)NS(=O)(=O)c1ccc(cc1)[*:1]
COCCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C)C2)cc1 COC[*:1] C[C@@H]1CCC[C@H](C1)NS(=O)(=O)c1ccc(cc1)OC[*:1]
Cc1c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cccc1C(=O)[O-] O=C([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)c1ccc(o1)-c1cccc(Cl)c1
Cc1c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cccc1C(=O)[O-] Clc1cccc(c1)[*:1] Cc1c(cccc1C(=O)[O-])NC(=O)c1ccc(o1)[*:1]
Cc1ccc(F)c(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 Cc1ccc(F)c(c1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(Cc2cccc(c2)C(F)(F)F)C1
Cc1ccc(F)c(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 FC(F)(F)[*:1] Cc1ccc(F)c(c1)NC(=O)[C@H]1CC(=O)N(Cc2cccc(c2)[*:1])C1
COc1ccccc1NC(=O)Nc1nnc(N(C)C2CCCCC2)s1 COc1ccccc1[*:1] CN(c1nnc(NC(=O)N[*:1])s1)C1CCCCC1
COc1ccccc1NC(=O)Nc1nnc(N(C)C2CCCCC2)s1 C1CCC(CC1)[*:1] COc1ccccc1NC(=O)Nc1nnc(s1)N(C)[*:1]
COc1ccccc1NC(=O)Nc1nnc(N(C)C2CCCCC2)s1 CN(C1CCCCC1)[*:1] COc1ccccc1NC(=O)Nc1nnc(s1)[*:1]
CCOC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)/C(=C/C=C[*:1])NC(=O)c1ccccc1
CCOC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)/C(=C/C=C/c1ccccc1)NC(=O)[*:1]
CCOC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 C(=C[*:1])c1ccccc1 CCOC(=O)C(=C[*:1])NC(=O)c1ccccc1
CCOC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 CCOC(=O)[*:1] O=C(N/C(=C\C=C\c1ccccc1)[*:1])c1ccccc1
Fc1ccc(-n2ncc3c2ncn2nc(-c4ccncc4)nc32)cc1 c1cc(ccn1)[*:1] Fc1ccc(cc1)-n1ncc2c1ncn1nc(nc21)[*:1]
Fc1ccc(-n2ncc3c2ncn2nc(-c4ccncc4)nc32)cc1 Fc1ccc(cc1)[*:1] c1cc(ccn1)-c1nc2c3cnn(c3ncn2n1)[*:1]
O=C([C@@H](O)c1ccccc1)N1CCN(c2ncc(Cl)cc2Cl)CC1 c1ccc(cc1)[*:1] O=C([C@@H](O)[*:1])N1CCN(CC1)c1ncc(Cl)cc1Cl
O=C([C@@H](O)c1ccccc1)N1CCN(c2ncc(Cl)cc2Cl)CC1 O[C@@H](c1ccccc1)[*:1] O=C(N1CCN(CC1)c1ncc(Cl)cc1Cl)[*:1]
O=C([C@@H](O)c1ccccc1)N1CCN(c2ncc(Cl)cc2Cl)CC1 Clc1cnc(c(Cl)c1)[*:1] O=C([C@@H](O)c1ccccc1)N1CCN(CC1)[*:1]
C=CCOC(=O)C(F)(F)Br C=CC[*:1] O=C(O[*:1])C(F)(F)Br
C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nc2ccccc2c1=O C=CC[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)N[C@H](C)c1ccccc1
C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nc2ccccc2c1=O C[C@H](c1ccccc1)[*:1] C=CCn1c(nc2ccccc2c1=O)S[C@H](C)C(=O)N[*:1]
C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nc2ccccc2c1=O c1ccc(cc1)[*:1] C=CCn1c(nc2ccccc2c1=O)S[C@H](C)C(=O)N[C@H](C)[*:1]
Cc1cnn([C@H]2CCCN(C(=O)c3cc(C)nc4[nH]nc(C)c34)C2)c1 Cc1cnn(c1)[*:1] Cc1cc(C(=O)N2CCC[C@@H](C2)[*:1])c2c(C)n[nH]c2n1
C[C@@H](O)c1ccnc(N2CC[NH+](C3CCCC3)CC2)c1 C[C@@H](O)[*:1] c1cc(cc(n1)N1CC[NH+](CC1)C1CCCC1)[*:1]
C[C@@H](O)c1ccnc(N2CC[NH+](C3CCCC3)CC2)c1 C1CCC(C1)[*:1] C[C@@H](O)c1ccnc(c1)N1CC[NH+](CC1)[*:1]
NC(=O)c1csc(NC(=O)c2cnc(-c3ccccc3F)s2)n1 Fc1ccccc1[*:1] NC(=O)c1csc(n1)NC(=O)c1cnc(s1)[*:1]
NC(=O)c1csc(NC(=O)c2cnc(-c3ccccc3F)s2)n1 NC(=O)[*:1] O=C(Nc1nc(cs1)[*:1])c1cnc(s1)-c1ccccc1F
CC[C@H](NC(=O)c1cc2c(cc1Cl)OCCO2)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](NC(=O)c1cc2OCCOc2cc1Cl)[*:1]
CS[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cccn3)cc2)C1 c1cnn(c1)[*:1] CS[C@@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)[*:1]
COC(=O)c1ccccc1NC(=O)CN1CCC([NH+]2CCCC2)CC1 COC(=O)[*:1] O=C(CN1CCC(CC1)[NH+]1CCCC1)Nc1ccccc1[*:1]
C[C@H](NC(=O)c1ccccc1Cn1cncn1)C(=O)NCc1ccco1 c1coc(c1)C[*:1] C[C@H](NC(=O)c1ccccc1Cn1cncn1)C(=O)N[*:1]
C[C@H](NC(=O)c1ccccc1Cn1cncn1)C(=O)NCc1ccco1 c1ncn(n1)[*:1] C[C@H](NC(=O)c1ccccc1C[*:1])C(=O)NCc1ccco1
C[C@H](NC(=O)c1ccccc1Cn1cncn1)C(=O)NCc1ccco1 c1coc(c1)[*:1] C[C@H](NC(=O)c1ccccc1Cn1cncn1)C(=O)NC[*:1]
C[C@H](NC(=O)c1ccccc1Cn1cncn1)C(=O)NCc1ccco1 c1ncn(C[*:1])n1 C[C@H](NC(=O)c1ccccc1[*:1])C(=O)NCc1ccco1
COC[C@@H](NC(=O)NC[C@H]1CCCS1(=O)=O)c1ccc(F)c(F)c1 COC[*:1] O=C(NC[C@H]1CCCS1(=O)=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COC[C@@H](NC(=O)NC[C@H]1CCCS1(=O)=O)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)NC[C@H]1CCCS1(=O)=O)[*:1]
N#CC1([C@@H](O)c2ccc(OC(F)F)cc2)CCC1 N#CC1(CCC1)[*:1] O[C@@H](c1ccc(cc1)OC(F)F)[*:1]
N#CC1([C@@H](O)c2ccc(OC(F)F)cc2)CCC1 FC(F)[*:1] N#CC1(CCC1)[C@@H](O)c1ccc(cc1)O[*:1]
N#CC1([C@@H](O)c2ccc(OC(F)F)cc2)CCC1 FC(F)O[*:1] N#CC1(CCC1)[C@@H](O)c1ccc(cc1)[*:1]
COC(=O)c1cccc2c1CCCN2C(=O)CCCn1cnc2c(C)cccc2c1=O COC(=O)[*:1] Cc1cccc2c(=O)n(cnc12)CCCC(=O)N1CCCc2c1cccc2[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO CN(C)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])C(=O)N[C@H]1CCCC[C@@H]1CO
CC(C)(Cc1ncccc1N)OC(N)=O NC(=O)O[*:1] CC(C)(Cc1ncccc1N)[*:1]
CCCCCc1nnc(NC(=O)c2ccccc2C)s1 CCCC[*:1] Cc1ccccc1C(=O)Nc1nnc(C[*:1])s1
CCCCCc1nnc(NC(=O)c2ccccc2C)s1 CCC[*:1] Cc1ccccc1C(=O)Nc1nnc(CC[*:1])s1
CCCCCc1nnc(NC(=O)c2ccccc2C)s1 CCCCC[*:1] Cc1ccccc1C(=O)Nc1nnc(s1)[*:1]
CC(C)(CNC(=O)N[C@H]1CCC[C@@H]1C(N)=O)c1ccc(Cl)c(Cl)c1 NC(=O)[*:1] CC(C)(CNC(=O)N[C@H]1CCC[C@H]1[*:1])c1ccc(Cl)c(Cl)c1
CC(C)(CNC(=O)N[C@H]1CCC[C@@H]1C(N)=O)c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] CC(C)(CNC(=O)N[C@H]1CCC[C@@H]1C(N)=O)[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)C(=O)N1CCC(CC1)C(=O)N[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)cc1C Fc1ccc(cc1)[*:1] Cc1ccc(cc1C)NC(=O)C1CCN(CC1)C(=O)c1nnc(s1)C(=O)N[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)cc1C O=C(Nc1ccc(F)cc1)[*:1] Cc1ccc(cc1C)NC(=O)C1CCN(CC1)C(=O)c1nnc(s1)[*:1]
Cc1ccc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)cc1C Cc1ccc(cc1C)NC(=O)[*:1] O=C(Nc1ccc(F)cc1)c1nnc(s1)C(=O)N1CCC(CC1)[*:1]
Cc1nc(C2=C(N)N(C(C)C)CC2=O)sc1C CC(C)[*:1] Cc1nc(sc1C)C1C(=O)CN(C=1N)[*:1]
CSc1cccc(NC(=O)[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)C)c1 CSc1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])C(=O)N[*:1]
CSc1cccc(NC(=O)[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)C)c1 CC(C)[*:1] CSc1cccc(c1)NC(=O)[C@H](NC(=O)c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
CSc1cccc(NC(=O)[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)C)c1 O=[N+]([O-])[*:1] CSc1cccc(c1)NC(=O)[C@H](NC(=O)c1ccc(Cl)c(c1)[*:1])C(C)C
C[C@@H]1CC2(C)C[C@@H](C)C1(COC(=O)Nc1ccccc1)CO2 c1ccc(cc1)[*:1] C[C@@H]1CC2(C)C[C@@H](C)C1(COC(=O)N[*:1])CO2
C[C@H](OC(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](OC(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O)[*:1]
C[C@H](OC(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O)[C@H]1CCCO1 c1ccc(cc1)C[*:1] C[C@H](OC(=O)[C@@H](S(C)(=O)=O)[*:1])[C@H]1CCCO1
C[C@H](OC(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O)[C@H]1CCCO1 CS(=O)(=O)[*:1] C[C@H](OC(=O)[C@@H](Cc1ccccc1)[*:1])[C@H]1CCCO1
C[C@H](OC(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O)[C@H]1CCCO1 c1ccc(cc1)[*:1] C[C@H](OC(=O)[C@@H](C[*:1])S(C)(=O)=O)[C@H]1CCCO1
Cc1cccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 Cc1cccc(c1)[*:1] CN1C(=O)c2ccc(cc2C1=O)S(=O)(=O)N(C[*:1])C1CC1
Cc1cccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 Cc1cccc(c1)C[*:1] CN1C(=O)c2ccc(cc2C1=O)S(=O)(=O)N(C1CC1)[*:1]
Cc1cccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 C1CC1[*:1] Cc1cccc(c1)CN(S(=O)(=O)c1ccc2C(=O)N(C)C(=O)c2c1)[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)CO[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC(CC1)[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC(CC1)OC[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC(OCc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC(CC1)O[*:1]
CCN(CC(C)C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl CC(C)[*:1] CCN(C[*:1])S(=O)(=O)c1c(Cl)cc(N)cc1Cl
CCN(CC(C)C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl CC(C)C[*:1] CCN(S(=O)(=O)c1c(Cl)cc(N)cc1Cl)[*:1]
NC(=O)CCC[C@H]([NH3+])c1ccc(Cl)c2ccccc12 NC(=O)C[*:1] [NH3+][C@@H](CC[*:1])c1ccc(Cl)c2ccccc12
NC(=O)CCC[C@H]([NH3+])c1ccc(Cl)c2ccccc12 NC(=O)CC[*:1] [NH3+][C@@H](C[*:1])c1ccc(Cl)c2ccccc12
NC(=O)CCC[C@H]([NH3+])c1ccc(Cl)c2ccccc12 NC(=O)[*:1] [NH3+][C@@H](CCC[*:1])c1ccc(Cl)c2ccccc12
NC(=O)CCC[C@H]([NH3+])c1ccc(Cl)c2ccccc12 NC(=O)CCC[*:1] [NH3+][C@H](c1ccc(Cl)c2ccccc12)[*:1]
CCOc1cc(/C=C2/S/C(=N\C(C)=O)NC2=O)cc(Cl)c1OC(C)=O CC(=O)O[*:1] CCOc1cc(/C=C2/S/C(=N\C(C)=O)NC2=O)cc(Cl)c1[*:1]
CCOc1cc(/C=C2/S/C(=N\C(C)=O)NC2=O)cc(Cl)c1OC(C)=O CCO[*:1] CC(=O)/N=C1/NC(=O)/C(=C\c2cc(Cl)c(OC(C)=O)c(c2)[*:1])S1
COC(=O)c1ccc(CN(C)Cc2c[nH]nc2-c2c(F)cccc2F)cc1 COC(=O)[*:1] CN(Cc1ccc(cc1)[*:1])Cc1c[nH]nc1-c1c(F)cccc1F
COC(=O)c1ccc(CN(C)Cc2c[nH]nc2-c2c(F)cccc2F)cc1 Fc1cccc(F)c1[*:1] COC(=O)c1ccc(cc1)CN(C)Cc1c[nH]nc1[*:1]
Cc1cnc(C(=O)N(CCC(C)C)C2CC2)cn1 CC(C)C[*:1] Cc1cnc(cn1)C(=O)N(C[*:1])C1CC1
Cc1cnc(C(=O)N(CCC(C)C)C2CC2)cn1 CC(C)[*:1] Cc1cnc(cn1)C(=O)N(CC[*:1])C1CC1
Cc1cnc(C(=O)N(CCC(C)C)C2CC2)cn1 CC(C)CC[*:1] Cc1cnc(cn1)C(=O)N(C1CC1)[*:1]
Cc1cnc(C(=O)N(CCC(C)C)C2CC2)cn1 C1CC1[*:1] Cc1cnc(cn1)C(=O)N(CCC(C)C)[*:1]
COc1cc(NC(=O)c2cc(C#N)cs2)c(OC)cc1Cl N#Cc1csc(c1)[*:1] COc1cc(NC(=O)[*:1])c(cc1Cl)OC
O=C(OCC(=O)N1CCCC1)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 O=C(N1CCCC1)[*:1] O=C(OC[*:1])c1c2CC/C(=C/c3ccccc3)c2nc2ccccc12
O=C(OCC(=O)N1CCCC1)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 O=C(C[*:1])N1CCCC1 O=C(O[*:1])c1c2CC/C(=C/c3ccccc3)c2nc2ccccc12
O=C(OCC(=O)N1CCCC1)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 c1ccc(cc1)[*:1] O=C(OCC(=O)N1CCCC1)c1c2CCC(=C[*:1])c2nc2ccccc12
CC[C@@H](C)c1ccccc1NC(=O)c1cccs1 c1csc(c1)[*:1] CC[C@@H](C)c1ccccc1NC(=O)[*:1]
CC[C@@H](C)c1ccccc1NC(=O)c1cccs1 CC[C@@H](C)[*:1] O=C(Nc1ccccc1[*:1])c1cccs1
O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1Br)N1CCCC1 Brc1ccccc1[*:1] O=C(CN(C[C@@H]1CCCO1)C(=O)[*:1])N1CCCC1
O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1Br)N1CCCC1 C1CO[C@@H](C1)C[*:1] O=C(CN(C(=O)c1ccccc1Br)[*:1])N1CCCC1
O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1Br)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(c1ccccc1Br)N(C[C@@H]1CCCO1)[*:1]
O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1Br)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(c1ccccc1Br)N(C[C@@H]1CCCO1)C[*:1]
Cn1cnc(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)n1 Cn1cnc(C[*:1])n1 O=C(N[*:1])c1sccc1S(=O)(=O)N1CCCCC1
Cn1cnc(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])c1sccc1S(=O)(=O)N1CCCCC1
CC(C)c1ccc(C(=O)Nc2cc(-c3ccccn3)no2)cc1 c1ccc(nc1)[*:1] CC(C)c1ccc(cc1)C(=O)Nc1cc(no1)[*:1]
CC(C)c1ccc(C(=O)Nc2cc(-c3ccccn3)no2)cc1 CC(C)[*:1] O=C(Nc1cc(no1)-c1ccccn1)c1ccc(cc1)[*:1]
CCn1nccc1C(=O)N[C@H](Cn1cccn1)C(C)(C)C CC(C)(C)[*:1] CCn1nccc1C(=O)N[C@H](Cn1cccn1)[*:1]
CCn1nccc1C(=O)N[C@H](Cn1cccn1)C(C)(C)C c1cnn(c1)C[*:1] CCn1nccc1C(=O)N[C@H](C(C)(C)C)[*:1]
CCn1nccc1C(=O)N[C@H](Cn1cccn1)C(C)(C)C c1cnn(c1)[*:1] CCn1nccc1C(=O)N[C@H](C[*:1])C(C)(C)C
CCn1nccc1C(=O)N[C@H](Cn1cccn1)C(C)(C)C CCn1nccc1[*:1] CC(C)(C)[C@@H](Cn1cccn1)NC(=O)[*:1]
NC(=O)CONC(=O)c1cc(-c2ccccc2)nc2ccccc12 NC(=O)[*:1] O=C(NOC[*:1])c1cc(nc2ccccc12)-c1ccccc1
NC(=O)CONC(=O)c1cc(-c2ccccc2)nc2ccccc12 NC(=O)CONC(=O)[*:1] c1ccc(cc1)-c1cc(c2ccccc2n1)[*:1]
NC(=O)CONC(=O)c1cc(-c2ccccc2)nc2ccccc12 NC(=O)C[*:1] O=C(NO[*:1])c1cc(nc2ccccc12)-c1ccccc1
NC(=O)CONC(=O)c1cc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] NC(=O)CONC(=O)c1cc(nc2ccccc12)[*:1]
CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)C1=O CC(C)(C)[*:1] CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2CCCC[C@@H]2[*:1])C1=O
Cc1ccc(OCC(=O)NCc2ccccc2F)c(Cl)c1 Fc1ccccc1[*:1] Cc1ccc(OCC(=O)NC[*:1])c(Cl)c1
CCOc1cc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)ccc1OC O=C([O-])[*:1] CCOc1cc(ccc1OC)C(=O)N1CCC(CC1)(c1ccccc1)[*:1]
CCOc1cc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])C(=O)N1CCC(CC1)(C(=O)[O-])c1ccccc1
CCOc1cc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)ccc1OC c1ccc(cc1)[*:1] CCOc1cc(ccc1OC)C(=O)N1CCC(CC1)(C(=O)[O-])[*:1]
CCOC(=O)[C@@H](C)/C(C)=N/n1c(C)cc(C)c(C#N)c1=O CCOC(=O)[C@@H](C)[*:1] CC(=Nn1c(C)cc(C)c(C#N)c1=O)[*:1]
CCOC(=O)[C@@H](C)/C(C)=N/n1c(C)cc(C)c(C#N)c1=O CCOC(=O)[*:1] C/C(=N\n1c(C)cc(C)c(C#N)c1=O)[C@H](C)[*:1]
CC(C)(CO)NC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)(CO)NC(=O)N[C@H]1CCCc2c1cnn2C[*:1]
CC(C)(CO)NC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 CC(C)(CO)[*:1] O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)N[*:1]
CC(C)(CO)NC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)(CO)NC(=O)N[C@H]1CCCc2c1cnn2[*:1]
CC(C)c1cccc(N(C)C(=O)c2cn(C)nc2C(C)(C)C)c1 CC(C)(C)[*:1] CC(C)c1cccc(c1)N(C)C(=O)c1cn(C)nc1[*:1]
CC(C)c1cccc(N(C)C(=O)c2cn(C)nc2C(C)(C)C)c1 CC(C)[*:1] CN(C(=O)c1cn(C)nc1C(C)(C)C)c1cccc(c1)[*:1]
Cc1c(I)c(C(=O)[O-])nn1C(F)F O=C([O-])[*:1] Cc1c(I)c(nn1C(F)F)[*:1]
Cc1c(I)c(C(=O)[O-])nn1C(F)F FC(F)[*:1] Cc1c(I)c(nn1[*:1])C(=O)[O-]
CCOc1ncccc1C(=O)OCC(=O)N1CCc2ccccc21 CCO[*:1] O=C(OCC(=O)N1CCc2ccccc21)c1cccnc1[*:1]
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cnc(-c2ncccn2)s1 Cc1ccc(cc1)[*:1] CCN(C[C@H](O)[*:1])C(=O)c1cnc(s1)-c1ncccn1
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cnc(-c2ncccn2)s1 c1cnc(nc1)[*:1] CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cnc(s1)[*:1]
COc1cccc(CNC(=O)c2ccc(-c3nc(CN4CCc5ccccc54)c(C)o3)cc2)c1 c1ccc2c(c1)CCN2C[*:1] COc1cccc(c1)CNC(=O)c1ccc(cc1)-c1nc(c(C)o1)[*:1]
COc1cccc(CNC(=O)c2ccc(-c3nc(CN4CCc5ccccc54)c(C)o3)cc2)c1 COc1cccc(c1)C[*:1] Cc1oc(nc1CN1CCc2ccccc21)-c1ccc(cc1)C(=O)N[*:1]
COc1cccc(CNC(=O)c2ccc(-c3nc(CN4CCc5ccccc54)c(C)o3)cc2)c1 COc1cccc(c1)[*:1] Cc1oc(nc1CN1CCc2ccccc21)-c1ccc(cc1)C(=O)NC[*:1]
COc1cccc(CNC(=O)c2ccc(-c3nc(CN4CCc5ccccc54)c(C)o3)cc2)c1 c1ccc2c(c1)CCN2[*:1] COc1cccc(c1)CNC(=O)c1ccc(cc1)-c1nc(C[*:1])c(C)o1
CCOC(=O)c1sc(NC(=O)N[C@H]2CCCC[C@H]2CO)cc1C CCOC(=O)[*:1] Cc1cc(NC(=O)N[C@H]2CCCC[C@H]2CO)sc1[*:1]
Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)CCC2 O=C([O-])[*:1] Cc1cc(ccc1NS(=O)(=O)c1ccc2CCCc2c1)[*:1]
CCOc1ccc(CCC(=O)Nc2ccnn2C(C)C)cc1 CCO[*:1] CC(C)n1nccc1NC(=O)CCc1ccc(cc1)[*:1]
CCOc1ccc(CCC(=O)Nc2ccnn2C(C)C)cc1 CC(C)[*:1] CCOc1ccc(cc1)CCC(=O)Nc1ccnn1[*:1]
C[C@@H](CC(=O)c1ccco1)NC(=O)C1(c2ccc(F)cc2F)CCCC1 c1coc(c1)[*:1] C[C@@H](CC(=O)[*:1])NC(=O)C1(CCCC1)c1ccc(F)cc1F
C[C@@H](CC(=O)c1ccco1)NC(=O)C1(c2ccc(F)cc2F)CCCC1 O=C(C[*:1])c1ccco1 C[C@@H](NC(=O)C1(CCCC1)c1ccc(F)cc1F)[*:1]
C[C@@H](CC(=O)c1ccco1)NC(=O)C1(c2ccc(F)cc2F)CCCC1 Fc1ccc(c(F)c1)[*:1] C[C@@H](CC(=O)c1ccco1)NC(=O)C1(CCCC1)[*:1]
C[C@@H](CC(=O)c1ccco1)NC(=O)C1(c2ccc(F)cc2F)CCCC1 O=C(c1ccco1)[*:1] C[C@@H](C[*:1])NC(=O)C1(CCCC1)c1ccc(F)cc1F
O=[N+]([O-])c1ccc(CNc2nccc(C(F)(F)F)n2)cc1 FC(F)(F)[*:1] O=[N+]([O-])c1ccc(cc1)CNc1nccc(n1)[*:1]
O=[N+]([O-])c1ccc(CNc2nccc(C(F)(F)F)n2)cc1 O=[N+]([O-])[*:1] FC(F)(F)c1ccnc(n1)NCc1ccc(cc1)[*:1]
CCOC(=O)c1nnnn1Cc1ncc(Cl)n1C CCOC(=O)[*:1] Cn1c(Cl)cnc1Cn1nnnc1[*:1]
CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 O=[N+]([O-])[*:1] CC(C)Oc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[*:1]
CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 C1CN(CCO1)[*:1] CC(C)Oc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 CC(C)[*:1] O=C(c1ccc(cc1)O[*:1])N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]
CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 CC(C)O[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]
CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 CC(C)Oc1ccc(cc1)[*:1] O=C(N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-])[*:1]
Cc1cc(NC(=O)NCc2cccc(OCC(F)F)n2)ccc1C(N)=O FC(F)CO[*:1] Cc1cc(ccc1C(N)=O)NC(=O)NCc1cccc(n1)[*:1]
Cc1cc(NC(=O)NCc2cccc(OCC(F)F)n2)ccc1C(N)=O FC(F)[*:1] Cc1cc(ccc1C(N)=O)NC(=O)NCc1cccc(n1)OC[*:1]
Cc1cc(NC(=O)NCc2cccc(OCC(F)F)n2)ccc1C(N)=O NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NCc1cccc(n1)OCC(F)F
Cc1cc(NC(=O)NCc2cccc(OCC(F)F)n2)ccc1C(N)=O FC(F)C[*:1] Cc1cc(ccc1C(N)=O)NC(=O)NCc1cccc(n1)O[*:1]
C[C@@H](CCl)CSc1ccnc(N(C)C)n1 C[C@@H](CCl)[*:1] CN(C)c1nccc(n1)SC[*:1]
C[C@@H](CCl)CSc1ccnc(N(C)C)n1 C[C@@H](CCl)C[*:1] CN(C)c1nccc(n1)S[*:1]
C[C@@H](CCl)CSc1ccnc(N(C)C)n1 CN(C)[*:1] C[C@@H](CCl)CSc1ccnc(n1)[*:1]
CC[C@H](CSC)N(C)C(=O)CN(C)C(=O)c1ccccc1 CSC[*:1] CC[C@H](N(C)C(=O)CN(C)C(=O)c1ccccc1)[*:1]
CC[C@H](CSC)N(C)C(=O)CN(C)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CSC)N(C)C(=O)CN(C)C(=O)[*:1]
O=C(C[C@@H]1O[C@H](CNC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H]1O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(C[C@@H]1O[C@H](CNC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H]1O)N[*:1]
O=C(C[C@@H]1O[C@H](CNC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H]1O)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] O=C(NC[C@H]1O[C@@H](C[*:1])[C@H](O)[C@@H]1O)Nc1ccc(F)cc1F
O=C(C[C@@H]1O[C@H](CNC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H]1O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1O[C@H](CNC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H]1O)NC[*:1]
O=C(C[C@@H]1O[C@H](CNC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H]1O)NCc1ccccc1 Fc1ccc(c(F)c1)[*:1] O=C(C[C@@H]1O[C@H](CNC(=O)N[*:1])[C@@H](O)[C@H]1O)NCc1ccccc1
CC/C(=C/C1CCOCC1)C[NH2+]CC(C)C CC(C)[*:1] CC/C(=C/C1CCOCC1)C[NH2+]C[*:1]
CC/C(=C/C1CCOCC1)C[NH2+]CC(C)C CC(C)C[*:1] CC/C(=C/C1CCOCC1)C[NH2+][*:1]
O=C(NCc1ccccc1OC1CCC1)N1CC[C@]2(CCOC2)C1 C1CC(C1)O[*:1] O=C(NCc1ccccc1[*:1])N1CC[C@]2(CCOC2)C1
O=C(NCc1ccccc1OC1CCC1)N1CC[C@]2(CCOC2)C1 C1CC(C1)[*:1] O=C(NCc1ccccc1O[*:1])N1CC[C@]2(CCOC2)C1
Cc1cscc1[C@@H](O)Cc1ccc2ccccc2n1 Cc1cscc1[*:1] O[C@@H](Cc1ccc2ccccc2n1)[*:1]
Cc1cc(Br)cc(N)c1Oc1ncccc1C(F)(F)F FC(F)(F)[*:1] Cc1cc(Br)cc(N)c1Oc1ncccc1[*:1]
Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+]2CCCCC2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@@H]([NH+]1CCCCC1)[*:1])c1cc(=O)c2ccc(Br)cc2o1
Cn1cnnc1CNC(=O)Nc1ccc(F)cc1OCC(F)F FC(F)CO[*:1] Cn1cnnc1CNC(=O)Nc1ccc(F)cc1[*:1]
Cn1cnnc1CNC(=O)Nc1ccc(F)cc1OCC(F)F Cn1cnnc1[*:1] O=C(NC[*:1])Nc1ccc(F)cc1OCC(F)F
Cn1cnnc1CNC(=O)Nc1ccc(F)cc1OCC(F)F FC(F)C[*:1] Cn1cnnc1CNC(=O)Nc1ccc(F)cc1O[*:1]
Cn1cnnc1CNC(=O)Nc1ccc(F)cc1OCC(F)F Cn1cnnc1C[*:1] O=C(Nc1ccc(F)cc1OCC(F)F)N[*:1]
Cn1cnnc1CNC(=O)Nc1ccc(F)cc1OCC(F)F FC(F)[*:1] Cn1cnnc1CNC(=O)Nc1ccc(F)cc1OC[*:1]
CC(C)[C@@H](C(=O)Nc1cnn(C)c1)N1Cc2ccccc2C1=O CC(C)[*:1] Cn1cc(cn1)NC(=O)[C@@H](N1Cc2ccccc2C1=O)[*:1]
CC(C)[C@@H](C(=O)Nc1cnn(C)c1)N1Cc2ccccc2C1=O Cn1cc(cn1)[*:1] CC(C)[C@@H](C(=O)N[*:1])N1Cc2ccccc2C1=O
COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 Cc1cccc(c1)OC[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)c1nc2ccccc2n1C[*:1]
COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 Cc1cccc(c1)OCC[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)c1nc2ccccc2n1[*:1]
COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 Cc1cccc(c1)O[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)c1nc2ccccc2n1CC[*:1]
COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)OCCn1c(nc2ccccc21)[C@H]1CC(=O)N(C1)[*:1]
COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)c1nc2ccccc2n1CCO[*:1]
COc1ccc(F)c(NC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 O=C([O-])[*:1] COc1ccc(F)c(c1)NC(=O)N1CCCC[C@H]1[*:1]
COC(=O)/C=C/c1ccc(OC(=O)[C@@H]2CC(=O)Nc3ccccc32)c(OC)c1 COC(=O)[*:1] COc1cc(C=C[*:1])ccc1OC(=O)[C@@H]1CC(=O)Nc2ccccc21
COC(=O)/C=C/c1ccc(OC(=O)[C@@H]2CC(=O)Nc3ccccc32)c(OC)c1 COC(=O)C=C[*:1] COc1cc(ccc1OC(=O)[C@@H]1CC(=O)Nc2ccccc21)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)CS(=O)(=O)c2cccc[n+]2[O-])CC1 O=C(c1ccccc1)[*:1] O=C(CS(=O)(=O)c1cccc[n+]1[O-])N1CCC(CC1)[*:1]
O=C(c1ccccc1)C1CCN(C(=O)CS(=O)(=O)c2cccc[n+]2[O-])CC1 c1ccc(cc1)[*:1] O=C(CS(=O)(=O)c1cccc[n+]1[O-])N1CCC(CC1)C(=O)[*:1]
O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1N1CCCC1 O=S(=O)(N1CCOCC1)[*:1] O=C(Cc1ccc(s1)[*:1])Nc1ccccc1N1CCCC1
O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1N1CCCC1 C1CCN(C1)[*:1] O=C(Cc1ccc(s1)S(=O)(=O)N1CCOCC1)Nc1ccccc1[*:1]
Cc1cc(OCC(=O)N/C(=C/c2ccccc2Cl)C(=O)[O-])cc(C)c1Cl O=C([O-])[*:1] Cc1cc(cc(C)c1Cl)OCC(=O)N/C(=C/c1ccccc1Cl)[*:1]
Cc1cc(OCC(=O)N/C(=C/c2ccccc2Cl)C(=O)[O-])cc(C)c1Cl Clc1ccccc1[*:1] Cc1cc(cc(C)c1Cl)OCC(=O)NC(=C[*:1])C(=O)[O-]
COc1nn(C)cc1C(=O)N(C)CC(=O)Nc1cc(C)on1 Cc1cc(no1)[*:1] COc1nn(C)cc1C(=O)N(C)CC(=O)N[*:1]
Cc1cnc2c(c1)N(C(=O)c1ccc(C(F)(F)F)nc1)CCO2 FC(F)(F)[*:1] Cc1cnc2OCCN(C(=O)c3ccc(nc3)[*:1])c2c1
CCn1cnc2c1c(=O)n(CC(=O)NCc1c(C)cc(C)[nH]c1=O)c(=O)n2Cc1ccccc1 c1ccc(cc1)[*:1] CCn1cnc2c1c(=O)n(CC(=O)NCc1c(C)cc(C)[nH]c1=O)c(=O)n2C[*:1]
CCn1cnc2c1c(=O)n(CC(=O)NCc1c(C)cc(C)[nH]c1=O)c(=O)n2Cc1ccccc1 Cc1cc(C)c(c(=O)[nH]1)[*:1] CCn1cnc2c1c(=O)n(CC(=O)NC[*:1])c(=O)n2Cc1ccccc1
CCn1cnc2c1c(=O)n(CC(=O)NCc1c(C)cc(C)[nH]c1=O)c(=O)n2Cc1ccccc1 c1ccc(cc1)C[*:1] CCn1cnc2c1c(=O)n(CC(=O)NCc1c(C)cc(C)[nH]c1=O)c(=O)n2[*:1]
CCn1cnc2c1c(=O)n(CC(=O)NCc1c(C)cc(C)[nH]c1=O)c(=O)n2Cc1ccccc1 Cc1cc(C)c(C[*:1])c(=O)[nH]1 CCn1cnc2c1c(=O)n(CC(=O)N[*:1])c(=O)n2Cc1ccccc1
Cc1nc(-c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cs1 Cc1nc(cs1)[*:1] O=C(Cc1ccc(Cl)cc1)Nc1ccc(cc1)[*:1]
Cc1nc(-c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cs1 Clc1ccc(cc1)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)C[*:1]
O=C(Nc1cccnc1)N[C@H]1C[C@H]2CCCc3cccc1c32 c1cncc(c1)[*:1] O=C(N[C@H]1C[C@H]2CCCc3cccc1c32)N[*:1]
C=CCNc1ncnc(Oc2ccc(Br)cc2)c1N C=CCN[*:1] Nc1c(ncnc1[*:1])Oc1ccc(Br)cc1
C=CCNc1ncnc(Oc2ccc(Br)cc2)c1N C=CC[*:1] Nc1c(ncnc1Oc1ccc(Br)cc1)N[*:1]
O=C(Nc1cccnc1Br)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1cccnc1Br)c1ncccc1[*:1]
C[C@H](NCc1nncn1C1CC1)c1ccc(Br)c(F)c1 C1CC1[*:1] C[C@H](NCc1nncn1[*:1])c1ccc(Br)c(F)c1
C[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)[*:1]
C[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)C1CCCCC1 CS(=O)(=O)[*:1] C[C@H](NC(=O)N[C@H](C[*:1])c1ccccc1)C1CCCCC1
C[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N[C@H](CS(C)(=O)=O)[*:1])C1CCCCC1
C[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)C1CCCCC1 C[C@H](C1CCCCC1)[*:1] CS(=O)(=O)C[C@@H](NC(=O)N[*:1])c1ccccc1
C[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)C1CCCCC1 CS(=O)(=O)C[*:1] C[C@H](NC(=O)N[C@H](c1ccccc1)[*:1])C1CCCCC1
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 Clc1cccc(c1)[*:1] O=C(c1ccc(Cl)c(c1)[N+](=O)[O-])N1CCC[C@@H]1c1nc(no1)[*:1]
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 O=[N+]([O-])[*:1] O=C(c1ccc(Cl)c(c1)[*:1])N1CCC[C@@H]1c1nc(no1)-c1cccc(Cl)c1
Cc1nn(C(C)C)c(C)c1[C@@H](C)[NH2+][C@H]1CCO[C@]2(CCSC2)C1 CC(C)[*:1] Cc1nn(c(C)c1[C@@H](C)[NH2+][C@H]1CCO[C@]2(CCSC2)C1)[*:1]
C=CCCC(=O)O[C@H](C)c1cnc2ccccc2c1 C=CC[*:1] C[C@@H](OC(=O)C[*:1])c1cnc2ccccc2c1
C=CCCC(=O)O[C@H](C)c1cnc2ccccc2c1 C=CCC[*:1] C[C@@H](OC(=O)[*:1])c1cnc2ccccc2c1
O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccccc2)O1 c1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@H](O1)[*:1]
O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc2cnccc12 C1CCC(C1)[*:1] O=C(CCS(=O)(=O)[*:1])Nc1cccc2cnccc12
O=C(c1nc(C2CC2)n2ccccc12)N(Cc1ccco1)c1ccccn1 c1coc(c1)[*:1] O=C(c1nc(C2CC2)n2ccccc12)N(C[*:1])c1ccccn1
O=C(c1nc(C2CC2)n2ccccc12)N(Cc1ccco1)c1ccccn1 C1CC1[*:1] O=C(c1nc(n2ccccc12)[*:1])N(Cc1ccco1)c1ccccn1
O=C(c1nc(C2CC2)n2ccccc12)N(Cc1ccco1)c1ccccn1 c1coc(c1)C[*:1] O=C(c1nc(C2CC2)n2ccccc12)N(c1ccccn1)[*:1]
O=C(c1nc(C2CC2)n2ccccc12)N(Cc1ccco1)c1ccccn1 c1ccc(nc1)[*:1] O=C(c1nc(C2CC2)n2ccccc12)N(Cc1ccco1)[*:1]
O[C@H]1Cc2ccccc2[C@H]1Nc1nc(-c2ccccc2)nc2ccccc12 c1ccc(cc1)[*:1] O[C@H]1Cc2ccccc2[C@H]1Nc1nc(nc2ccccc12)[*:1]
O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 O=c1ccn(C[*:1])c(=O)[nH]1 O=C(NCCc1ccccc1)c1ccc(cc1)NC(=O)[*:1]
O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 O=c1ccn(c(=O)[nH]1)[*:1] O=C(C[*:1])Nc1ccc(cc1)C(=O)NCCc1ccccc1
O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(cc1)C(=O)N[*:1]
O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(cc1)C(=O)NC[*:1]
O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(cc1)C(=O)NCC[*:1]
CC/C(NNC(N)=O)=C1\C=CC(=O)C(C)=C1 NC(=O)NN[*:1] CCC(=C1C=CC(=O)C(C)=C1)[*:1]
COc1ccccc1NC(=O)Cc1c(C)nc2nc(N)nn2c1C COc1ccccc1[*:1] Cc1nc2nc(N)nn2c(C)c1CC(=O)N[*:1]
CC(C)Oc1ccc(NS(=O)(=O)c2cccc3cnccc23)cc1 CC(C)O[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1cccc2cnccc12
CC(C)Oc1ccc(NS(=O)(=O)c2cccc3cnccc23)cc1 CC(C)[*:1] O=S(=O)(Nc1ccc(cc1)O[*:1])c1cccc2cnccc12
O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(CNC(=O)[*:1])N1CCN(CC1)c1ccccc1
O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(Br)o1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCN(CC1)[*:1])c1ccc(Br)o1
Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccn3)CC2)c1C Cc1cccc(c1C)[*:1] C[C@@H](C(=O)N[*:1])[NH+]1CCN(CC1)c1ccccn1
Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccn3)CC2)c1C c1ccc(nc1)[*:1] Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(CC2)[*:1])c1C
CC(C)(C)C[C@H](CO)NC(=O)c1ccnc(Br)c1 CC(C)(C)C[*:1] O=C(N[C@@H](CO)[*:1])c1ccnc(Br)c1
CC(C)(C)C[C@H](CO)NC(=O)c1ccnc(Br)c1 CC(C)(C)[*:1] O=C(N[C@@H](CO)C[*:1])c1ccnc(Br)c1
Cc1ccc(C(=O)NNC(=O)NCCCc2nnc3n2CCCCC3)o1 Cc1ccc(o1)[*:1] O=C(NCCCc1nnc2CCCCCn21)NNC(=O)[*:1]
Cn1nc(-c2nc(CCS(=O)(=O)c3ccccc3)no2)c2ccccc21 c1ccc(cc1)[*:1] Cn1nc(-c2nc(CCS(=O)(=O)[*:1])no2)c2ccccc21
C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F C[C@H](O)C[*:1] C[C@H]([NH2+]C[C@@H](C)[*:1])c1nc2ccccc2n1C(F)F
C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F C[C@H](O)[*:1] C[C@H](C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F)C[*:1]
C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F FC(F)[*:1] C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1nc2ccccc2n1[*:1]
COc1ccccc1-c1noc(N)c1-c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1-c1noc(N)c1[*:1]
CCc1nc(C)sc1Cn1nc(CC2CC[NH2+]CC2)n(CC)c1=O CCc1nc(C)sc1[*:1] CCn1c(CC2CC[NH2+]CC2)nn(C[*:1])c1=O
C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)c1cnn(C)c1 FC(F)[*:1] C[C@H](NC(=O)Nc1cnn(c1)C[*:1])c1cnn(C)c1
C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)c1cnn(C)c1 FC(F)C[*:1] C[C@H](NC(=O)Nc1cnn(c1)[*:1])c1cnn(C)c1
C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@H](NC(=O)Nc1cnn(c1)CC(F)F)[*:1]
CCNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCNC(=O)COC(=O)c1ccccc1C(=O)[*:1]
CCNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 CCNC(=O)[*:1] O=C(OC[*:1])c1ccccc1C(=O)c1ccc(Cl)cc1
CCNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 CCNC(=O)C[*:1] O=C(O[*:1])c1ccccc1C(=O)c1ccc(Cl)cc1
O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 c1ccc(cc1)[*:1] O=C(COC(=O)c1ccc(cc1)O[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 c1ccc(cc1)O[*:1] O=C(COC(=O)c1ccc(cc1)[*:1])Nc1ccc2[nH]c(=O)[nH]c2c1
O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 O=c1[nH]c2ccc(cc2[nH]1)[*:1] O=C(COC(=O)c1ccc(cc1)Oc1ccccc1)N[*:1]
O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nc(c[nH]1)-c1ccccc1)N[*:1]
O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CSc1nc(c[nH]1)[*:1])Nc1ccc(F)cc1
C[C@@H](CCOc1ccccc1)C(=O)N[C@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H](CCOc1ccccc1)C(=O)N[C@H](C)[*:1]
C[C@@H](CCOc1ccccc1)C(=O)N[C@H](C)[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@@H](CCO[*:1])C(=O)N[C@H](C)[C@@H]1CCCO1
C[C@@H](CCOc1ccccc1)C(=O)N[C@H](C)[C@@H]1CCCO1 c1ccc(cc1)O[*:1] C[C@@H](CC[*:1])C(=O)N[C@H](C)[C@@H]1CCCO1
Cc1[nH]c2ccccc2c1C(=O)NCc1cn(-c2ccccc2)nn1 c1ccc(cc1)[*:1] Cc1[nH]c2ccccc2c1C(=O)NCc1cn(nn1)[*:1]
CN1C(=O)C[C@H](C(=O)NCc2cc(F)ccc2F)[C@@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CN1C(=O)C[C@H](C(=O)NCc2cc(F)ccc2F)[C@H]1[*:1]
CN1C(=O)C[C@H](C(=O)NCc2cc(F)ccc2F)[C@@H]1c1cccc(Cl)c1 Fc1ccc(F)c(c1)[*:1] CN1C(=O)C[C@H](C(=O)NC[*:1])[C@@H]1c1cccc(Cl)c1
COC(=O)c1cc(Cl)ccc1NC(=O)c1ccsc1 c1cc(cs1)[*:1] COC(=O)c1cc(Cl)ccc1NC(=O)[*:1]
COC(=O)c1cc(Cl)ccc1NC(=O)c1ccsc1 COC(=O)[*:1] O=C(Nc1ccc(Cl)cc1[*:1])c1ccsc1
N#C[C@H](C(=O)c1cccc(N2CCCC2=O)c1)c1ccc(C(F)(F)F)cn1 O=C1CCCN1[*:1] N#C[C@H](C(=O)c1cccc(c1)[*:1])c1ccc(cn1)C(F)(F)F
N#C[C@H](C(=O)c1cccc(N2CCCC2=O)c1)c1ccc(C(F)(F)F)cn1 FC(F)(F)[*:1] N#C[C@H](C(=O)c1cccc(c1)N1CCCC1=O)c1ccc(cn1)[*:1]
CSCC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1Br CSCC[*:1] C[C@H](NC(=O)N[C@H](C)[*:1])c1ccccc1Br
CSCC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1Br CSC[*:1] C[C@H](NC(=O)N[C@H](C)C[*:1])c1ccccc1Br
CSCC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1Br CSCC[C@@H](C)[*:1] C[C@H](NC(=O)N[*:1])c1ccccc1Br
COC[C@@H](C)[NH2+][C@H](C)c1csc(C(C)C)n1 COC[C@@H](C)[*:1] CC(C)c1nc(cs1)[C@@H](C)[NH2+][*:1]
COC[C@@H](C)[NH2+][C@H](C)c1csc(C(C)C)n1 COC[*:1] CC(C)c1nc(cs1)[C@@H](C)[NH2+][C@H](C)[*:1]
COC[C@@H](C)[NH2+][C@H](C)c1csc(C(C)C)n1 CC(C)[*:1] COC[C@@H](C)[NH2+][C@H](C)c1csc(n1)[*:1]
O=C([O-])c1ccnc(Sc2ccc3nnnn3n2)c1 O=C([O-])[*:1] c1cc(cc(n1)Sc1ccc2nnnn2n1)[*:1]
O=C(C[NH2+]CC1CCCC1)N1CCCCCC1 C1CCC(C1)[*:1] O=C(C[NH2+]C[*:1])N1CCCCCC1
CCC[C@@H]1C[C@@]1(O)c1ccc(F)cc1F CCC[*:1] O[C@]1(C[C@H]1[*:1])c1ccc(F)cc1F
Cc1cccc(C)c1NCC(=O)NCCc1ccccc1 c1ccc(cc1)[*:1] Cc1cccc(C)c1NCC(=O)NCC[*:1]
Cc1cccc(C)c1NCC(=O)NCCc1ccccc1 c1ccc(cc1)C[*:1] Cc1cccc(C)c1NCC(=O)NC[*:1]
C/C(=C/C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=CC(=O)Nc1ccc2OCC(=O)N(C)c2c1)[*:1]
C[C@@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@@H](CC(=O)NC1CCN(CC1)c1cccc[nH+]1)[*:1]
C[C@@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CC(=O)NC1CCN(CC1)c1cccc[nH+]1)C[*:1]
N#Cc1ccc(C(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)cc1 c1ccc(cc1)O[*:1] N#Cc1ccc(cc1)C(=O)N1CCC(CC1)(C(=O)[O-])[*:1]
N#Cc1ccc(C(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)cc1 O=C([O-])[*:1] N#Cc1ccc(cc1)C(=O)N1CCC(CC1)(Oc1ccccc1)[*:1]
N#Cc1ccc(C(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)cc1 N#Cc1ccc(cc1)[*:1] O=C([O-])C1(CCN(CC1)C(=O)[*:1])Oc1ccccc1
N#Cc1ccc(C(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)C(=O)N1CCC(CC1)(O[*:1])C(=O)[O-]
C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc(OCc2ccccn2)c1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)N1CC[C@H](C1)[NH+]1CCCC1)c1cccc(c1)OC[*:1]
C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc(OCc2ccccn2)c1 c1ccc(CO[*:1])nc1 C[C@@H](NC(=O)N1CC[C@H](C1)[NH+]1CCCC1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc(OCc2ccccn2)c1 c1ccc(C[*:1])nc1 C[C@@H](NC(=O)N1CC[C@H](C1)[NH+]1CCCC1)c1cccc(c1)O[*:1]
CC[C@@H]1CN(C(=O)c2cnn(CC)c2)CC[C@H]1c1ccccc1 CCn1cc(cn1)[*:1] CC[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)[*:1]
CC[C@@H]1CN(C(=O)c2cnn(CC)c2)CC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H]1CN(CC[C@@H]1[*:1])C(=O)c1cnn(c1)CC
Clc1ccc(Cc2nc(-c3cc4ccccc4o3)no2)cn1 Clc1ccc(cn1)[*:1] c1ccc2oc(cc2c1)-c1noc(C[*:1])n1
O=C([C@@H]1COc2ccc(F)cc2C1)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C([C@@H]1COc2ccc(F)cc2C1)N1CC[C@H](C1)[*:1]
CCCc1ccc(C(=O)[C@@H]2CCO[C@@H]2C)cc1 CCC[*:1] C[C@H]1OCC[C@H]1C(=O)c1ccc(cc1)[*:1]
Cc1c(OC(=O)[C@H]2Cc3ccccc3S2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])OC(=O)[C@H]1Cc2ccccc2S1
N#C[C@@H](C(=O)c1ccc(F)c(COCC2CC2)c1)c1ccccn1 c1ccc(nc1)[*:1] N#C[C@@H](C(=O)c1ccc(F)c(c1)COCC1CC1)[*:1]
N#C[C@@H](C(=O)c1ccc(F)c(COCC2CC2)c1)c1ccccn1 C1CC1COC[*:1] N#C[C@@H](C(=O)c1ccc(F)c(c1)[*:1])c1ccccn1
N#C[C@@H](C(=O)c1ccc(F)c(COCC2CC2)c1)c1ccccn1 C1CC1CO[*:1] N#C[C@@H](C(=O)c1ccc(F)c(c1)C[*:1])c1ccccn1
N#C[C@@H](C(=O)c1ccc(F)c(COCC2CC2)c1)c1ccccn1 C1CC1[*:1] N#C[C@@H](C(=O)c1ccc(F)c(c1)COC[*:1])c1ccccn1
N#C[C@@H](C(=O)c1ccc(F)c(COCC2CC2)c1)c1ccccn1 C1CC1C[*:1] N#C[C@@H](C(=O)c1ccc(F)c(c1)CO[*:1])c1ccccn1
O=C(c1cc(F)cc(F)c1)N1CCC[C@H](c2noc(-c3cnccn3)n2)C1 Fc1cc(F)cc(c1)[*:1] O=C(N1CCC[C@@H](C1)c1noc(n1)-c1cnccn1)[*:1]
O=C(c1cc(F)cc(F)c1)N1CCC[C@H](c2noc(-c3cnccn3)n2)C1 c1cnc(cn1)[*:1] O=C(c1cc(F)cc(F)c1)N1CCC[C@@H](C1)c1noc(n1)[*:1]
CCC(CC)[C@H](CSc1ccccc1F)[NH2+]C CCC(CC)[*:1] C[NH2+][C@@H](CSc1ccccc1F)[*:1]
CCCC(=O)Nc1ccc(OCC(N)=O)c(C(C)=O)c1 NC(=O)[*:1] CCCC(=O)Nc1ccc(OC[*:1])c(c1)C(C)=O
CCCC(=O)Nc1ccc(OCC(N)=O)c(C(C)=O)c1 NC(=O)C[*:1] CCCC(=O)Nc1ccc(O[*:1])c(c1)C(C)=O
CCCC(=O)Nc1ccc(OCC(N)=O)c(C(C)=O)c1 NC(=O)CO[*:1] CCCC(=O)Nc1ccc(c(c1)C(C)=O)[*:1]
CCCC(=O)Nc1ccc(OCC(N)=O)c(C(C)=O)c1 CC(=O)[*:1] CCCC(=O)Nc1ccc(OCC(N)=O)c(c1)[*:1]
CCCC(=O)Nc1ccc(OCC(N)=O)c(C(C)=O)c1 CCCC(=O)N[*:1] CC(=O)c1cc(ccc1OCC(N)=O)[*:1]
CCCC(=O)Nc1ccc(OCC(N)=O)c(C(C)=O)c1 CCC[*:1] CC(=O)c1cc(ccc1OCC(N)=O)NC(=O)[*:1]
O=C(c1cc(-c2cccc(O)c2)on1)N1CCc2ccccc2C1 Oc1cccc(c1)[*:1] O=C(c1cc(on1)[*:1])N1CCc2ccccc2C1
Cc1ccc(OCCNC(=O)c2cnn(-c3ccncc3)c2C)cc1 Cc1ccc(cc1)O[*:1] Cc1c(cnn1-c1ccncc1)C(=O)NCC[*:1]
Cc1ccc(OCCNC(=O)c2cnn(-c3ccncc3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)NCCO[*:1]
Cc1ccc(OCCNC(=O)c2cnn(-c3ccncc3)c2C)cc1 c1cc(ccn1)[*:1] Cc1ccc(cc1)OCCNC(=O)c1cnn(c1C)[*:1]
Cc1ccc(/C=C/C(=O)NCCNc2ccc(C(F)(F)F)cn2)s1 Cc1ccc(C=C[*:1])s1 O=C(NCCNc1ccc(cn1)C(F)(F)F)[*:1]
Cc1ccc(/C=C/C(=O)NCCNc2ccc(C(F)(F)F)cn2)s1 FC(F)(F)[*:1] Cc1ccc(/C=C/C(=O)NCCNc2ccc(cn2)[*:1])s1
Cc1ccc(/C=C/C(=O)NCCNc2ccc(C(F)(F)F)cn2)s1 Cc1ccc(s1)[*:1] O=C(C=C[*:1])NCCNc1ccc(cn1)C(F)(F)F
COc1ccc([C@H](C)NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1OC COc1ccc(cc1OC)[*:1] C[C@H](NC(=O)c1cc([nH]n1)-c1cccc2ccccc12)[*:1]
COc1ccc([C@H](C)NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1OC c1ccc2c(cccc2c1)[*:1] COc1ccc(cc1OC)[C@H](C)NC(=O)c1cc([nH]n1)[*:1]
CC(C)(C)CC[NH+]1CCN(Cc2cc(=O)n3ccccc3[nH+]2)CC1 CC(C)(C)[*:1] O=c1cc(CN2CC[NH+](CC2)CC[*:1])[nH+]c2ccccn12
CC(C)(C)CC[NH+]1CCN(Cc2cc(=O)n3ccccc3[nH+]2)CC1 CC(C)(C)CC[*:1] O=c1cc(CN2CC[NH+](CC2)[*:1])[nH+]c2ccccn12
CC(C)(C)CC[NH+]1CCN(Cc2cc(=O)n3ccccc3[nH+]2)CC1 CC(C)(C)C[*:1] O=c1cc(CN2CC[NH+](CC2)C[*:1])[nH+]c2ccccn12
Nc1ccc(Br)c(N)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1ccc(Br)c(N)c1[*:1]
O=C(Nc1cccc2c1CCCC2)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1cccc2CCCCc21)N1CCO[C@H](C1)[*:1]
Cc1ccccc1[C@@H](NC(=O)N(C)C[C@H](C)O)C(C)C C[C@H](O)[*:1] Cc1ccccc1[C@@H](NC(=O)N(C)C[*:1])C(C)C
Cc1ccccc1[C@@H](NC(=O)N(C)C[C@H](C)O)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H](NC(=O)N(C)C[C@H](C)O)[*:1]
Cc1ccccc1[C@@H](NC(=O)N(C)C[C@H](C)O)C(C)C C[C@H](O)C[*:1] Cc1ccccc1[C@@H](NC(=O)N(C)[*:1])C(C)C
CC[C@H](C(=O)Nc1cc(Cl)ccc1C)n1c(C(=O)OC)cc2ccsc21 COC(=O)[*:1] CC[C@H](C(=O)Nc1cc(Cl)ccc1C)n1c(cc2ccsc21)[*:1]
CC[C@H](C(=O)Nc1cc(Cl)ccc1C)n1c(C(=O)OC)cc2ccsc21 Cc1ccc(Cl)cc1[*:1] CC[C@H](C(=O)N[*:1])n1c(cc2ccsc21)C(=O)OC
CCc1cccc(NC(=O)NC(C2CC2)C2CC2)c1 C1CC1[*:1] CCc1cccc(c1)NC(=O)NC(C1CC1)[*:1]
CC(C)(C)c1cc(NC(=O)CSC[C@H]([NH3+])C(=O)[O-])on1 O=C([O-])[*:1] CC(C)(C)c1cc(NC(=O)CSC[C@H]([NH3+])[*:1])on1
CC(C)(C)c1cc(NC(=O)CSC[C@H]([NH3+])C(=O)[O-])on1 CC(C)(C)[*:1] [NH3+][C@@H](CSCC(=O)Nc1cc(no1)[*:1])C(=O)[O-]
COc1cccc(C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2)C2CC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)C[C@@H](NC(=O)C(=O)N[*:1])C1CC1
COc1cccc(C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1)[*:1]
COc1cccc(C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2)C2CC2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(F)cc1)C(=O)N[C@H](C[*:1])C1CC1
Cc1cc(Br)c2c(c1)[C@H](NCCc1ccncc1C)CCO2 Cc1cnccc1[*:1] Cc1cc(Br)c2OCC[C@@H](NCC[*:1])c2c1
O=C(C=C1CCSCC1)NCCC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C=C1CCSCC1)NCCC(=O)N[*:1]
C[C@@H]1CN(C(=O)C[C@H](O)c2ccccc2)C[C@@H](c2ccsc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@H](O1)c1ccsc1)C(=O)C[C@H](O)[*:1]
C[C@@H]1CN(C(=O)C[C@H](O)c2ccccc2)C[C@@H](c2ccsc2)O1 c1cc(cs1)[*:1] C[C@@H]1CN(C[C@@H](O1)[*:1])C(=O)C[C@H](O)c1ccccc1
Cc1ccccc1C[C@H](CCSc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] Cc1ccccc1C[C@H](CCS[*:1])C(=O)[O-]
Cc1ccccc1C[C@H](CCSc1ccccc1)C(=O)[O-] c1ccc(cc1)S[*:1] Cc1ccccc1C[C@H](CC[*:1])C(=O)[O-]
Cc1ccccc1C[C@H](CCSc1ccccc1)C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1C[C@H](CCSc1ccccc1)[*:1]
Cc1ccccc1C[C@H](CCSc1ccccc1)C(=O)[O-] Cc1ccccc1[*:1] O=C([O-])[C@@H](CCSc1ccccc1)C[*:1]
Cc1ccc(SCC(=O)NNC(=O)COc2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(COc1ccccc1)NNC(=O)CS[*:1]
Cc1ccc(SCC(=O)NNC(=O)COc2ccccc2)cc1 c1ccc(cc1)O[*:1] Cc1ccc(cc1)SCC(=O)NNC(=O)C[*:1]
Cc1ccc(SCC(=O)NNC(=O)COc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)SCC(=O)NNC(=O)CO[*:1]
COc1cccc(CCNC(=O)Cn2nnc(-c3ccccc3C)n2)c1 Cc1ccccc1[*:1] COc1cccc(c1)CCNC(=O)Cn1nnc(n1)[*:1]
COc1cccc(CCNC(=O)Cn2nnc(-c3ccccc3C)n2)c1 COc1cccc(c1)[*:1] Cc1ccccc1-c1nnn(CC(=O)NCC[*:1])n1
Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccccc1Cl)c(=O)n2Cc1ccccc1C#N N#Cc1ccccc1C[*:1] Cc1c(sc2c1c(=O)n(-c1ccccc1Cl)c(=O)n2[*:1])C(=O)N(C)C
Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccccc1Cl)c(=O)n2Cc1ccccc1C#N N#Cc1ccccc1[*:1] Cc1c(sc2c1c(=O)n(-c1ccccc1Cl)c(=O)n2C[*:1])C(=O)N(C)C
Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccccc1Cl)c(=O)n2Cc1ccccc1C#N CN(C)C(=O)[*:1] Cc1c(sc2c1c(=O)n(-c1ccccc1Cl)c(=O)n2Cc1ccccc1C#N)[*:1]
Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccccc1Cl)c(=O)n2Cc1ccccc1C#N Clc1ccccc1[*:1] Cc1c(sc2c1c(=O)n(c(=O)n2Cc1ccccc1C#N)[*:1])C(=O)N(C)C
Cc1nc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)no1 Cc1nc(C[*:1])no1 O=C(NC12CC3CC(CC(C3)C1)C2)N[*:1]
Cc1nc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)no1 Cc1nc(no1)[*:1] O=C(NC[*:1])NC12CC3CC(CC(C3)C1)C2
CC(=O)N1CCN(C(=O)[C@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 Clc1ccc(cc1Cl)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@H](C)N[C@@H](C)[*:1]
Cc1ccccc1-n1cnnc1SCc1nc2ccccc2o1 Cc1ccccc1[*:1] c1ccc2oc(CSc3nncn3[*:1])nc2c1
CCC[NH2+][C@H]1CC[C@@H](SCC[NH+](C)C)[C@@H]1C C[NH+](C)CC[*:1] CCC[NH2+][C@H]1CC[C@@H](S[*:1])[C@@H]1C
CCC[NH2+][C@H]1CC[C@@H](SCC[NH+](C)C)[C@@H]1C CCC[*:1] C[C@@H]1[C@H](CC[C@H]1SCC[NH+](C)C)[NH2+][*:1]
CCC[NH2+][C@H]1CC[C@@H](SCC[NH+](C)C)[C@@H]1C CCC[NH2+][*:1] C[C@@H]1[C@H](CC[C@H]1SCC[NH+](C)C)[*:1]
C[C@H]1CN(C(=O)c2csc(CCc3ccccc3)n2)[C@@H](C)CO1 c1ccc(cc1)[*:1] C[C@H]1CN(C(=O)c2csc(CC[*:1])n2)[C@@H](C)CO1
C[C@H]1CN(C(=O)c2csc(CCc3ccccc3)n2)[C@@H](C)CO1 c1ccc(cc1)C[*:1] C[C@H]1CN(C(=O)c2csc(C[*:1])n2)[C@@H](C)CO1
Cc1ccccc1Cc1nnc(NC(=O)CN2C(=O)CNC2=O)s1 O=C1CNC(=O)N1[*:1] Cc1ccccc1Cc1nnc(NC(=O)C[*:1])s1
Cc1ccccc1Cc1nnc(NC(=O)CN2C(=O)CNC2=O)s1 O=C1CNC(=O)N1C[*:1] Cc1ccccc1Cc1nnc(NC(=O)[*:1])s1
Cc1ccccc1Cc1nnc(NC(=O)CN2C(=O)CNC2=O)s1 Cc1ccccc1C[*:1] O=C(CN1C(=O)CNC1=O)Nc1nnc(s1)[*:1]
Cc1ccccc1Cc1nnc(NC(=O)CN2C(=O)CNC2=O)s1 Cc1ccccc1[*:1] O=C(CN1C(=O)CNC1=O)Nc1nnc(C[*:1])s1
N#C[C@H]1COCCN1Cc1cccc(-c2ccccn2)c1 c1ccc(nc1)[*:1] N#C[C@H]1COCCN1Cc1cccc(c1)[*:1]
O=C(Nc1ccc(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc1)c1ccc(Cl)cc1 O=C(NC1CCCCC1)[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1])c1ccc(Cl)cc1
O=C(Nc1ccc(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NC1CCCCC1)[C@H]1CCCN(C1)C(=O)c1ccc(cc1)NC(=O)[*:1]
O=C(Nc1ccc(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc1)c1ccc(Cl)cc1 C1CCC(CC1)[*:1] O=C(Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1])c1ccc(Cl)cc1
O=C(Nc1ccc(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc1)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 O=C(NC1CCCCC1)[C@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1]
C[NH+](CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)s1)C1CCCCC1 O=S(=O)(N1CCCC1)[*:1] C[NH+](CCNC(=O)c1ccc(s1)[*:1])C1CCCCC1
C[NH+](CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)s1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCNC(=O)c1ccc(s1)S(=O)(=O)N1CCCC1)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(F)cc3)ccc2O1 C(CN1CCOCC1)C[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(F)cc1)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(F)cc3)ccc2O1 Fc1ccc(cc1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(F)cc3)ccc2O1 C1CN(CCO1)CC[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccc(F)cc1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(F)cc3)ccc2O1 C1CN(CCO1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CCC[*:1])[C@H]1c1ccc(F)cc1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(F)cc3)ccc2O1 C1CN(CCO1)C[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccc(F)cc1
Cc1cccc(C)c1NC(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O Cc1cccc(C)c1[*:1] O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)N[*:1]
O=C(NCc1ccnc(OCC(F)F)c1)N1CCC[C@@H]2CCC[C@@H]21 FC(F)C[*:1] O=C(NCc1ccnc(c1)O[*:1])N1CCC[C@@H]2CCC[C@@H]21
O=C(NCc1ccnc(OCC(F)F)c1)N1CCC[C@@H]2CCC[C@@H]21 FC(F)[*:1] O=C(NCc1ccnc(c1)OC[*:1])N1CCC[C@@H]2CCC[C@@H]21
O=C(NCc1ccnc(OCC(F)F)c1)N1CCC[C@@H]2CCC[C@@H]21 FC(F)CO[*:1] O=C(NCc1ccnc(c1)[*:1])N1CCC[C@@H]2CCC[C@@H]21
Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1[*:1]
Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F Cn1cccc1[*:1] O=C(NNC(=O)[*:1])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
COC(=O)c1cc(CNC(=O)c2ccc(Cl)cc2O)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])CNC(=O)c1ccc(Cl)cc1O
Cc1cccnc1Nc1ncnc(Nc2cccc(C(F)(F)F)c2)c1N Cc1cccnc1[*:1] Nc1c(ncnc1N[*:1])Nc1cccc(c1)C(F)(F)F
Cc1cccnc1Nc1ncnc(Nc2cccc(C(F)(F)F)c2)c1N Cc1cccnc1N[*:1] Nc1c(ncnc1[*:1])Nc1cccc(c1)C(F)(F)F
Cc1cccnc1Nc1ncnc(Nc2cccc(C(F)(F)F)c2)c1N FC(F)(F)[*:1] Cc1cccnc1Nc1ncnc(Nc2cccc(c2)[*:1])c1N
Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)nc(Cl)c1C(C)C CC(C)[*:1] Cc1nc(nc(Cl)c1[*:1])[C@@H]1CN2CCC[C@@H]2CO1
CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NC)cc1 CNC(=O)[*:1] CCOc1ccc(cc1)[N-]S(=O)(=O)c1n[nH]cc1[*:1]
CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NC)cc1 CCO[*:1] CNC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(cc1)[*:1]
COc1ccc(CN(C(=O)c2nc3nccc(C)n3n2)[C@H](C)C2CC2)cc1 COc1ccc(cc1)[*:1] Cc1ccnc2nc(nn12)C(=O)N(C[*:1])[C@H](C)C1CC1
COc1ccc(CN(C(=O)c2nc3nccc(C)n3n2)[C@H](C)C2CC2)cc1 C1CC1[*:1] COc1ccc(cc1)CN(C(=O)c1nc2nccc(C)n2n1)[C@H](C)[*:1]
COc1ccc(CN(C(=O)c2nc3nccc(C)n3n2)[C@H](C)C2CC2)cc1 COc1ccc(cc1)C[*:1] Cc1ccnc2nc(nn12)C(=O)N([C@H](C)C1CC1)[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)C(C)(C)C)cc1 CC(C)(C)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)[*:1]
C#CCNC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 C#CC[*:1] O=C(N[C@]1(CCc2ccccc21)C(=O)[O-])N[*:1]
C#CCNC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 O=C([O-])[*:1] C#CCNC(=O)N[C@]1(CCc2ccccc21)[*:1]
CCN1CC[NH+](CCCCNC(=O)Nc2ccc(C)cc2Cl)CC1 Cc1ccc(c(Cl)c1)[*:1] CCN1CC[NH+](CCCCNC(=O)N[*:1])CC1
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)O[C@@H](C)C(=O)N1CCC(C)CC1 O=S(=O)(N1CCCCCC1)[*:1] COc1ccc(cc1C(=O)O[C@@H](C)C(=O)N1CCC(C)CC1)[*:1]
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)O[C@@H](C)C(=O)N1CCC(C)CC1 CC1CCN(CC1)C(=O)[*:1] COc1ccc(cc1C(=O)O[C@@H](C)[*:1])S(=O)(=O)N1CCCCCC1
COc1cc2c(cc1OC)[C@H](CNC(=O)C1CC1)N(C(=O)NC(C)C)CC2 O=C(N[*:1])C1CC1 COc1cc2CCN(C(=O)NC(C)C)[C@@H](C[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@H](CNC(=O)C1CC1)N(C(=O)NC(C)C)CC2 C1CC1[*:1] COc1cc2CCN(C(=O)NC(C)C)[C@@H](CNC(=O)[*:1])c2cc1OC
COc1cc2c(cc1OC)[C@H](CNC(=O)C1CC1)N(C(=O)NC(C)C)CC2 O=C(NC[*:1])C1CC1 COc1cc2CCN(C(=O)NC(C)C)[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](CNC(=O)C1CC1)N(C(=O)NC(C)C)CC2 CC(C)[*:1] COc1cc2CCN(C(=O)N[*:1])[C@@H](CNC(=O)C3CC3)c2cc1OC
CC[C@@H](CSC)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 N#Cc1cnn(c1N)[*:1] CC[C@@H](CSC)N(C)C(=O)c1ccc(cc1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 CSC[*:1] CC[C@@H](N(C)C(=O)c1ccc(cc1)-n1ncc(C#N)c1N)[*:1]
Cc1csc(=O)n1CCC(=O)N[C@@H](C)CN1CCOCC1 Cc1csc(=O)n1[*:1] C[C@@H](CN1CCOCC1)NC(=O)CC[*:1]
Cc1csc(=O)n1CCC(=O)N[C@@H](C)CN1CCOCC1 C1CN(CCO1)[*:1] Cc1csc(=O)n1CCC(=O)N[C@@H](C)C[*:1]
Cc1csc(=O)n1CCC(=O)N[C@@H](C)CN1CCOCC1 C1CN(CCO1)C[*:1] Cc1csc(=O)n1CCC(=O)N[C@@H](C)[*:1]
COc1cccc(C(N)=O)c1OCC(=O)N1C[C@@H](C)C[C@H](C)C1 NC(=O)[*:1] COc1cccc(c1OCC(=O)N1C[C@@H](C)C[C@H](C)C1)[*:1]
C=CCSC1=NC(=O)C[C@@H](c2cc(Br)c(O)c(OC)c2)[C@@H]1C#N C=CC[*:1] COc1cc(cc(Br)c1O)[C@@H]1CC(=O)N=C(S[*:1])[C@H]1C#N
CC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 O=[N+]([O-])[*:1] CC(=O)N1CCN(CC1)C(=O)Cn1cc(cn1)[*:1]
O=C1Nc2cc(C(=O)N3CCCC3)ccc2S/C1=C\c1ccccc1 O=C(N1CCCC1)[*:1] O=C1Nc2cc(ccc2S/C1=C\c1ccccc1)[*:1]
O=C1Nc2cc(C(=O)N3CCCC3)ccc2S/C1=C\c1ccccc1 c1ccc(cc1)[*:1] O=C1Nc2cc(ccc2SC1=C[*:1])C(=O)N1CCCC1
CCOc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2ccccc2Cl)cc1 CCO[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])S(=O)(=O)c1ccccc1Cl
CCOc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCOc1ccc(cc1)NC(=O)[C@@H](C)S(=O)(=O)[*:1]
Cc1n[nH]c(C)c1NC(=O)CNC(C)(C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1n[nH]c(C)c1NC(=O)CNC(C)(C)[*:1]
Cc1n[nH]c(C)c1NC(=O)CNC(C)(C)c1ccc(Cl)cc1 Cc1n[nH]c(C)c1[*:1] CC(C)(NCC(=O)N[*:1])c1ccc(Cl)cc1
Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1NC(=O)N1CCC[C@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] Cc1ccc(cc1NC(=O)N1CCC[C@@H]1[*:1])NC(=O)N1CCC[C@@H]1c1ccc[nH]1
Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1NC(=O)N1CCC[C@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] Cc1ccc(cc1NC(=O)N1CCC[C@H]1c1ccc[nH]1)NC(=O)N1CCC[C@H]1[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)N[*:1]
N#Cc1nc(-c2ccccc2)oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O c1ccc(cc1)[*:1] N#Cc1nc(oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)[*:1]
C[C@@H]1CN(CC(=O)Nc2cc(C(C)(C)C)nn2C)C(C)(C)CO1 CC(C)(C)[*:1] C[C@@H]1CN(CC(=O)Nc2cc(nn2C)[*:1])C(C)(C)CO1
CC(C)NC(=O)NNS(=O)(=O)c1csc2ccc(Cl)cc12 CC(C)[*:1] O=C(NNS(=O)(=O)c1csc2ccc(Cl)cc12)N[*:1]
O=C(CCCn1nnc(-c2ccc(F)cc2)n1)N1[C@H]2CC[C@@H]1CC[NH2+]C2 Fc1ccc(cc1)[*:1] O=C(CCCn1nnc(n1)[*:1])N1[C@H]2CC[C@@H]1CC[NH2+]C2
COc1cccc(/C=C/C(=O)N[C@H](C)C2CC2)c1OC(F)F FC(F)O[*:1] COc1cccc(/C=C/C(=O)N[C@H](C)C2CC2)c1[*:1]
COc1cccc(/C=C/C(=O)N[C@H](C)C2CC2)c1OC(F)F C[C@H](C1CC1)[*:1] COc1cccc(/C=C/C(=O)N[*:1])c1OC(F)F
COc1cccc(/C=C/C(=O)N[C@H](C)C2CC2)c1OC(F)F FC(F)[*:1] COc1cccc(/C=C/C(=O)N[C@H](C)C2CC2)c1O[*:1]
COc1cccc(/C=C/C(=O)N[C@H](C)C2CC2)c1OC(F)F C1CC1[*:1] COc1cccc(/C=C/C(=O)N[C@H](C)[*:1])c1OC(F)F
CC(C)c1ccc(N[C@H]2C=CS(=O)(=O)C2)cc1 CC(C)[*:1] O=S1(=O)C=C[C@@H](C1)Nc1ccc(cc1)[*:1]
CC(=O)[C@H](Sc1nnc2cc(C)c3ccccc3n12)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)[C@H](Sc1nnc2cc(C)c3ccccc3n12)[*:1]
CC(=O)[C@H](Sc1nnc2cc(C)c3ccccc3n12)c1ccccc1 CC(=O)[*:1] Cc1cc2nnc(S[C@H](c3ccccc3)[*:1])n2c2ccccc12
C=CCc1cc(N)ccc1O[C@H]1CCOC2(CCCC2)C1 C=CC[*:1] Nc1ccc(O[C@H]2CCOC3(CCCC3)C2)c(c1)[*:1]
CC(C)[C@H](CO)Nc1nc(C2CC2)ns1 C1CC1[*:1] CC(C)[C@H](CO)Nc1nc(ns1)[*:1]
CC(C)[C@H](CO)Nc1nc(C2CC2)ns1 CC(C)[*:1] OC[C@H](Nc1nc(ns1)C1CC1)[*:1]
CCCCNC(=O)c1ccc(CNC(=O)N2CCO[C@H](C)C2)cc1 CCCC[*:1] C[C@@H]1CN(CCO1)C(=O)NCc1ccc(cc1)C(=O)N[*:1]
CCCCNC(=O)c1ccc(CNC(=O)N2CCO[C@H](C)C2)cc1 CCCCNC(=O)[*:1] C[C@@H]1CN(CCO1)C(=O)NCc1ccc(cc1)[*:1]
CCCCNC(=O)c1ccc(CNC(=O)N2CCO[C@H](C)C2)cc1 CCC[*:1] C[C@@H]1CN(CCO1)C(=O)NCc1ccc(cc1)C(=O)NC[*:1]
CCC(C)(C)C(=O)Nc1c(C#N)cnn1C CCC(C)(C)[*:1] Cn1ncc(C#N)c1NC(=O)[*:1]
CC[C@@H](C)n1nccc1NS(=O)(=O)c1ccc(Br)cc1 CC[C@@H](C)[*:1] O=S(=O)(Nc1ccnn1[*:1])c1ccc(Br)cc1
O=C([C@@H]1CCCO1)N1CCC(O)(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C([C@@H]1CCCO1)N1CCC(O)(CC1)[*:1]
O=C([C@@H]1CCCO1)N1CCC(O)(C(F)(F)F)CC1 C1CO[C@@H](C1)[*:1] O=C(N1CCC(O)(CC1)C(F)(F)F)[*:1]
Cc1cc(C(=O)CCC(=O)N[C@H](C#N)c2ccccc2C)c(C)s1 Cc1cc(c(C)s1)[*:1] Cc1ccccc1[C@@H](C#N)NC(=O)CCC(=O)[*:1]
Cc1cc(C(=O)CCC(=O)N[C@H](C#N)c2ccccc2C)c(C)s1 Cc1ccccc1[*:1] Cc1cc(C(=O)CCC(=O)N[C@H](C#N)[*:1])c(C)s1
CCCCCNC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 CCCCCNC(=O)[*:1] C[C@H]1CCC[C@@H](NC(=O)N2CCC(CC2)[*:1])[C@H]1C
CCCCCNC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 CCCC[*:1] C[C@H]1CCC[C@@H](NC(=O)N2CCC(CC2)C(=O)NC[*:1])[C@H]1C
CCCCCNC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 CCC[*:1] C[C@H]1CCC[C@@H](NC(=O)N2CCC(CC2)C(=O)NCC[*:1])[C@H]1C
CCCCCNC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 CCCCC[*:1] C[C@H]1CCC[C@@H](NC(=O)N2CCC(CC2)C(=O)N[*:1])[C@H]1C
CC[C@]1(C)Cc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)CO1 c1ccc(cc1)[*:1] CC[C@]1(C)Cc2c(CO1)sc1[nH]c(=S)n(c(=O)c21)[*:1]
COc1cccc([C@@]2(O)CCC[C@@H]3CN(S(=O)(=O)c4c(C)nn(C)c4Cl)C[C@H]32)c1 Cc1nn(C)c(Cl)c1[*:1] COc1cccc(c1)[C@@]1(O)CCC[C@@H]2CN(C[C@H]21)S(=O)(=O)[*:1]
COc1cccc([C@@]2(O)CCC[C@@H]3CN(S(=O)(=O)c4c(C)nn(C)c4Cl)C[C@H]32)c1 COc1cccc(c1)[*:1] Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H]2CCC[C@](O)([C@@H]2C1)[*:1]
Cc1ccsc1[C@@](C)(O)c1cc(F)c(Cl)cc1Cl Cc1ccsc1[*:1] C[C@@](O)(c1cc(F)c(Cl)cc1Cl)[*:1]
Cc1nc(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cs1 Clc1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)N[C@H](c1ccccc1)[*:1]
Cc1nc(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N[C@H](c1ccccc1)c1ccc(Cl)cc1
Cc1nc(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cs1 Cc1nc(cs1)C[*:1] O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)[*:1]
Cc1nc(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CC(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CCCC[C@H](c1ccc(C)s1)n1nnc2ccccc21 Cc1ccc(s1)[*:1] CCCC[C@H](n1nnc2ccccc21)[*:1]
CCCC[C@H](c1ccc(C)s1)n1nnc2ccccc21 CCC[*:1] Cc1ccc(s1)[C@@H](C[*:1])n1nnc2ccccc21
CCCC[C@H](c1ccc(C)s1)n1nnc2ccccc21 CCCC[*:1] Cc1ccc(s1)[C@H](n1nnc2ccccc21)[*:1]
CO[C@H](CNC(=O)N(C)Cc1ccc(F)cc1)c1cccc(Cl)c1 Fc1ccc(cc1)[*:1] CO[C@H](CNC(=O)N(C)C[*:1])c1cccc(Cl)c1
CO[C@H](CNC(=O)N(C)Cc1ccc(F)cc1)c1cccc(Cl)c1 Fc1ccc(cc1)C[*:1] CO[C@H](CNC(=O)N(C)[*:1])c1cccc(Cl)c1
CO[C@H](CNC(=O)N(C)Cc1ccc(F)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@H](CNC(=O)N(C)Cc1ccc(F)cc1)[*:1]
Cc1ccsc1C(=O)OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] Cc1ccsc1C(=O)OCC(=O)NCc1ccc(cc1)[*:1]
Cc1ccsc1C(=O)OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 Cc1ccsc1[*:1] NS(=O)(=O)c1ccc(cc1)CNC(=O)COC(=O)[*:1]
[O-]c1on[n+](-c2ccccc2)c1C[NH2+]Cc1ccccc1 c1ccc(cc1)[*:1] [O-]c1on[n+](c1C[NH2+]Cc1ccccc1)[*:1]
[O-]c1on[n+](-c2ccccc2)c1C[NH2+]Cc1ccccc1 c1ccc(cc1)[*:1] [O-]c1on[n+](-c2ccccc2)c1C[NH2+]C[*:1]
[O-]c1on[n+](-c2ccccc2)c1C[NH2+]Cc1ccccc1 c1ccc(cc1)C[*:1] [O-]c1on[n+](-c2ccccc2)c1C[NH2+][*:1]
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3[nH]ncc3c2)C1 c1cc2[nH]ncc2cc1[*:1] Cc1ccccc1[C@@H]1C[C@H](C)N(C1)C(=O)C(=O)N[*:1]
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3[nH]ncc3c2)C1 Cc1ccccc1[*:1] C[C@H]1C[C@H](CN1C(=O)C(=O)Nc1ccc2[nH]ncc2c1)[*:1]
O=C(CSc1nnc(NC(=O)c2ccccc2)s1)Nc1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(NC(=O)[*:1])s1)Nc1ccc(F)cc1
O=C(CSc1nnc(NC(=O)c2ccccc2)s1)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(NC(=O)c2ccccc2)s1)N[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2cn(C)nc2CC)C1 CCCC[*:1] CCc1nn(C)cc1NC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2cn(C)nc2CC)C1 CCC[*:1] CCc1nn(C)cc1NC(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2cn(C)nc2CC)C1 CCc1nn(C)cc1[*:1] CCCCNC(=O)[C@H]1CCCN(C1)C(=O)N[*:1]
CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2cn(C)nc2CC)C1 CCCCNC(=O)[*:1] CCc1nn(C)cc1NC(=O)N1CCC[C@@H](C1)[*:1]
COc1ccnc(N2CCC(N(CC3CC3)C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)n1 C1CC1C[*:1] COc1ccnc(n1)N1CCC(CC1)N(C(=O)c1ccc(cc1)S(C)(=O)=O)[*:1]
COc1ccnc(N2CCC(N(CC3CC3)C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)n1 CS(=O)(=O)[*:1] COc1ccnc(n1)N1CCC(CC1)N(CC1CC1)C(=O)c1ccc(cc1)[*:1]
COc1ccnc(N2CCC(N(CC3CC3)C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)n1 CS(=O)(=O)c1ccc(cc1)[*:1] COc1ccnc(n1)N1CCC(CC1)N(CC1CC1)C(=O)[*:1]
COc1ccnc(N2CCC(N(CC3CC3)C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)n1 COc1ccnc(n1)[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N(CC1CC1)C1CCN(CC1)[*:1]
COc1ccnc(N2CCC(N(CC3CC3)C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)n1 C1CC1[*:1] COc1ccnc(n1)N1CCC(CC1)N(C[*:1])C(=O)c1ccc(cc1)S(C)(=O)=O
O=C(NCC1(O)CCSCC1)[C@H]1C[C@@H]1c1cccc(F)c1 OC1(CCSCC1)[*:1] O=C(NC[*:1])[C@H]1C[C@@H]1c1cccc(F)c1
O=C(NCC1(O)CCSCC1)[C@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCC1(O)CCSCC1)[C@H]1C[C@H]1[*:1]
CC(C)c1nc2ccc(NCc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2s1 O=[N+]([O-])[*:1] CC(C)c1nc2ccc(cc2s1)NCc1ccc(cc1[*:1])C(N)=O
CC(C)c1nc2ccc(NCc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2s1 NC(=O)[*:1] CC(C)c1nc2ccc(cc2s1)NCc1ccc(cc1[N+](=O)[O-])[*:1]
CC(C)c1nc2ccc(NCc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2s1 CC(C)[*:1] NC(=O)c1ccc(CNc2ccc3nc(sc3c2)[*:1])c(c1)[N+](=O)[O-]
Cc1cc(C)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(Cl)c1 c1coc(c1)[*:1] Cc1cc(C)c(NC(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])c(Cl)c1
CC(=O)N1CCCc2cc(NC(=O)C[C@H](O)c3cccc(F)c3)ccc21 Fc1cccc(c1)[*:1] CC(=O)N1CCCc2cc(ccc21)NC(=O)C[C@H](O)[*:1]
Cc1nc(NC(=O)c2cccc(-n3cccc3)c2)sc1C c1ccn(c1)[*:1] Cc1nc(NC(=O)c2cccc(c2)[*:1])sc1C
Cc1nc(NC(=O)c2cccc(-n3cccc3)c2)sc1C Cc1nc(sc1C)[*:1] O=C(N[*:1])c1cccc(c1)-n1cccc1
CC[C@](C)(NC(=O)Nc1c(F)cccc1F)C(=O)[O-] O=C([O-])[*:1] CC[C@](C)(NC(=O)Nc1c(F)cccc1F)[*:1]
CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H](Oc2cc(C)cc(C)c2)C1 O=C([O-])[*:1] CC[NH2+][C@@]1(CCC[C@H](C1)Oc1cc(C)cc(C)c1)[*:1]
C[NH+](C)CCC1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 Fc1ccc(cc1)[*:1] C[NH+](C)CCC1CCN(CC1)C(=O)c1ccn(n1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1cccc2ccc(-n3cccc3)nc12 c1ccn(c1)[*:1] C[C@@H](Oc1ccccc1)C(=O)Nc1cccc2ccc(nc12)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1cccc2ccc(-n3cccc3)nc12 c1ccc(cc1)O[*:1] C[C@@H](C(=O)Nc1cccc2ccc(nc12)-n1cccc1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1cccc2ccc(-n3cccc3)nc12 C[C@@H](Oc1ccccc1)[*:1] O=C(Nc1cccc2ccc(nc12)-n1cccc1)[*:1]
C[C@@H](Oc1ccccc1)C(=O)Nc1cccc2ccc(-n3cccc3)nc12 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc2ccc(nc12)-n1cccc1
CCc1cccc(C)c1NC(=O)N(C)[C@H](CC)CSC CSC[*:1] CCc1cccc(C)c1NC(=O)N(C)[C@H](CC)[*:1]
Cc1ccc(CN[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)s1 Cc1ccc(C[*:1])s1 O=C(NCc1ccc2OCOc2c1)[C@H](N[*:1])c1ccccc1
Cc1ccc(CN[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)s1 c1cc2OCOc2cc1[*:1] Cc1ccc(CN[C@@H](C(=O)NC[*:1])c2ccccc2)s1
Cc1ccc(CN[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)s1 Cc1ccc(s1)[*:1] O=C(NCc1ccc2OCOc2c1)[C@H](NC[*:1])c1ccccc1
Cc1ccc(CN[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1ccc(CN[C@@H](C(=O)NCc2ccc3OCOc3c2)[*:1])s1
Cc1ccc(CN[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)s1 Cc1ccc(CN[*:1])s1 O=C(NCc1ccc2OCOc2c1)[C@@H](c1ccccc1)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 CC[C@@H](C)C[*:1] COc1cc(ccc1[N+](=O)[O-])C(=O)N[C@@H](C)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 O=[N+]([O-])[*:1] CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(c(c1)OC)[*:1]
CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 CC[C@@H](C)[*:1] COc1cc(ccc1[N+](=O)[O-])C(=O)N[C@@H](C)C[*:1]
CN1C(=O)C[C@@H](NC(=O)Cc2ccon2)[C@@H]1c1ccc(Cl)cc1 c1cc(no1)[*:1] CN1C(=O)C[C@@H](NC(=O)C[*:1])[C@@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@@H](NC(=O)Cc2ccon2)[C@@H]1c1ccc(Cl)cc1 c1cc(C[*:1])no1 CN1C(=O)C[C@@H](NC(=O)[*:1])[C@@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@@H](NC(=O)Cc2ccon2)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)Cc2ccon2)[C@H]1[*:1]
Cc1cnc(C(=O)NNC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)cn1 Cc1cnc(cn1)[*:1] C[C@H]1CCC[C@@H](NC(=S)NNC(=O)[*:1])[C@H]1C
CCC[NH2+][C@H]1c2ccccc2[C@H](CC(C)C)[C@@H]1C CC(C)[*:1] CCC[NH2+][C@H]1c2ccccc2[C@H](C[*:1])[C@@H]1C
CCC[NH2+][C@H]1c2ccccc2[C@H](CC(C)C)[C@@H]1C CCC[*:1] CC(C)C[C@H]1c2ccccc2[C@H]([NH2+][*:1])[C@H]1C
CCC[NH2+][C@H]1c2ccccc2[C@H](CC(C)C)[C@@H]1C CC(C)C[*:1] CCC[NH2+][C@H]1c2ccccc2[C@H]([C@@H]1C)[*:1]
O=C(NCCn1cccc1)NCc1nn(-c2ccccc2)c2c1CCC2 c1ccn(c1)CC[*:1] O=C(NCc1nn(-c2ccccc2)c2CCCc12)N[*:1]
O=C(NCCn1cccc1)NCc1nn(-c2ccccc2)c2c1CCC2 c1ccc(cc1)[*:1] O=C(NCCn1cccc1)NCc1nn(c2CCCc12)[*:1]
O=C(NCCn1cccc1)NCc1nn(-c2ccccc2)c2c1CCC2 c1ccn(c1)[*:1] O=C(NCC[*:1])NCc1nn(-c2ccccc2)c2CCCc12
O=C(NCCn1cccc1)NCc1nn(-c2ccccc2)c2c1CCC2 c1ccn(c1)C[*:1] O=C(NCc1nn(-c2ccccc2)c2CCCc12)NC[*:1]
C[C@@H]1CN(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)C[C@@H](C)O1 C1CCC(CC1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)Nc1ccccc1C(=O)N(C)[*:1]
CC(C)(C)c1nnsc1C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F CC(C)(C)[*:1] C[C@@](NC(=O)c1snnc1[*:1])(C(=O)[O-])C(F)(F)F
CC(C)(C)c1nnsc1C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] CC(C)(C)c1nnsc1C(=O)N[C@](C)(C(F)(F)F)[*:1]
CC(C)(C)c1nnsc1C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] CC(C)(C)c1nnsc1C(=O)N[C@](C)(C(=O)[O-])[*:1]
C=CCN1C(=O)c2ccccc2N[C@H]1c1cnn(C(C)(C)C)c1 C=CC[*:1] CC(C)(C)n1cc(cn1)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
C=CCN1C(=O)c2ccccc2N[C@H]1c1cnn(C(C)(C)C)c1 CC(C)(C)[*:1] C=CCN1C(=O)c2ccccc2N[C@H]1c1cnn(c1)[*:1]
Cc1nc(-c2ccccc2)c(C(=O)N(C)Cc2nc3ccccc3[nH]2)s1 c1ccc(cc1)[*:1] Cc1nc(c(s1)C(=O)N(C)Cc1nc2ccccc2[nH]1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CC(=O)N[C@H]1CCCN(C1)C(=O)/C=C/c1cccc(c1)[*:1]
CC(=O)N[C@H]1CCCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)C1 CC(=O)N[*:1] O=C(/C=C/c1cccc(c1)C(F)(F)F)N1CCC[C@@H](C1)[*:1]
COC[C@@H](NC(=O)c1cn(Cc2c(F)cccc2F)nn1)c1ccnn1C COC[*:1] Cn1nccc1[C@H](NC(=O)c1cn(Cc2c(F)cccc2F)nn1)[*:1]
COC[C@@H](NC(=O)c1cn(Cc2c(F)cccc2F)nn1)c1ccnn1C Cn1nccc1[*:1] COC[C@@H](NC(=O)c1cn(Cc2c(F)cccc2F)nn1)[*:1]
COC[C@@H](NC(=O)c1cn(Cc2c(F)cccc2F)nn1)c1ccnn1C Fc1cccc(F)c1C[*:1] COC[C@@H](NC(=O)c1cn(nn1)[*:1])c1ccnn1C
COC[C@@H](NC(=O)c1cn(Cc2c(F)cccc2F)nn1)c1ccnn1C Fc1cccc(F)c1[*:1] COC[C@@H](NC(=O)c1cn(C[*:1])nn1)c1ccnn1C
CC(C)[C@H]1COC(=O)N1CC(=O)N1CCC(CCN2CCCC2=O)CC1 O=C1CCCN1[*:1] CC(C)[C@H]1COC(=O)N1CC(=O)N1CCC(CC1)CC[*:1]
CC(C)[C@H]1COC(=O)N1CC(=O)N1CCC(CCN2CCCC2=O)CC1 O=C1CCCN1C[*:1] CC(C)[C@H]1COC(=O)N1CC(=O)N1CCC(CC1)C[*:1]
CC(C)[C@H]1COC(=O)N1CC(=O)N1CCC(CCN2CCCC2=O)CC1 O=C1CCCN1CC[*:1] CC(C)[C@H]1COC(=O)N1CC(=O)N1CCC(CC1)[*:1]
CC(C)[C@H]1COC(=O)N1CC(=O)N1CCC(CCN2CCCC2=O)CC1 CC(C)[*:1] O=C1CCCN1CCC1CCN(CC1)C(=O)CN1C(=O)OC[C@@H]1[*:1]
CC(C)CNc1cnn(-c2ncccn2)c1 CC(C)CN[*:1] c1cnc(nc1)-n1cc(cn1)[*:1]
CC(C)CNc1cnn(-c2ncccn2)c1 CC(C)C[*:1] c1cnc(nc1)-n1cc(cn1)N[*:1]
CC(C)CNc1cnn(-c2ncccn2)c1 CC(C)[*:1] c1cnc(nc1)-n1cc(cn1)NC[*:1]
Cc1cc(C=O)c(O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C=O)c(O)c(c1)[*:1]
CCOc1ccc(OCCCl)cc1 ClCCO[*:1] CCOc1ccc(cc1)[*:1]
CCOc1ccc(OCCCl)cc1 CCO[*:1] ClCCOc1ccc(cc1)[*:1]
CCOc1ccc(OCCCl)cc1 ClCC[*:1] CCOc1ccc(cc1)O[*:1]
COc1cccc(C(=O)Nc2ccn(-c3ccc(C(C)C)cc3)n2)c1 CC(C)[*:1] COc1cccc(c1)C(=O)Nc1ccn(n1)-c1ccc(cc1)[*:1]
COc1cccc(C(=O)Nc2ccn(-c3ccc(C(C)C)cc3)n2)c1 COc1cccc(c1)[*:1] CC(C)c1ccc(cc1)-n1ccc(n1)NC(=O)[*:1]
CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)[*:1]
Cc1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 Cc1ccc(C)c(c1)[*:1] C[C@H](C(=O)N[*:1])N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1F Cc1ccc(cc1F)[*:1] CC(C)C(=O)NC[C@@H]1CCCN(C1)C(=O)N[C@@H](C)[*:1]
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N1CCC[C@@H](CNC(=O)[*:1])C1
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1F CC(C)C(=O)NC[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N1CCC[C@@H](C1)[*:1]
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)cc1F CC(C)C(=O)N[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)N1CCC[C@H](C1)C[*:1]
COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Nc1cc(F)ccc1F COC(=O)[*:1] O=C(Nc1cc(F)ccc1F)N[C@@H]1CCCCC[C@H]1[*:1]
O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)Nc1nc(-c2ccco2)cs1 c1coc(c1)[*:1] O=C(CN1CCN(C1=O)c1ccc(Cl)cc1)Nc1nc(cs1)[*:1]
O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)Nc1nc(-c2ccco2)cs1 Clc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)[*:1])Nc1nc(cs1)-c1ccco1
CCc1nn(C)cc1NC(=O)N[C@@H](C)C[C@H](O)c1cccs1 O[C@H](c1cccs1)[*:1] CCc1nn(C)cc1NC(=O)N[C@@H](C)C[*:1]
CCc1nn(C)cc1NC(=O)N[C@@H](C)C[C@H](O)c1cccs1 c1csc(c1)[*:1] CCc1nn(C)cc1NC(=O)N[C@@H](C)C[C@H](O)[*:1]
CCCCO[C@@H](C)C(=O)NN CCC[*:1] C[C@H](OC[*:1])C(=O)NN
CCO[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2N(C)C)C1 CCO[*:1] CN(C)c1ccccc1NC(=O)C(=O)N1CCC[C@H](C1)[*:1]
CCO[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2N(C)C)C1 CN(C)[*:1] CCO[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccccc1[*:1]
Cc1cc(F)c(-c2ccc(F)c(C(=O)[O-])c2)cc1F O=C([O-])[*:1] Cc1cc(F)c(cc1F)-c1ccc(F)c(c1)[*:1]
Cn1cc(C#N)cc1C(=O)NOC1CCCC1 C1CCC(C1)[*:1] Cn1cc(C#N)cc1C(=O)NO[*:1]
CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1 CCO[*:1] O=c1[nH]nc(-c2ccccc2)c2c(-c3ccccc3)n(nc12)-c1ccc(cc1)[*:1]
CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1nc2c(=O)[nH]nc(-c3ccccc3)c2c1[*:1]
CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1 CCOc1ccc(cc1)[*:1] O=c1[nH]nc(-c2ccccc2)c2c(-c3ccccc3)n(nc12)[*:1]
CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)-n1nc2c(=O)[nH]nc(c2c1-c1ccccc1)[*:1]
Cc1nc(C)c(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)o1 c1cc(ccn1)C[*:1] Cc1nc(C)c(o1)C(=O)Nc1cccc(c1)NC(=O)N[*:1]
Cc1nc(C)c(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)o1 c1cc(ccn1)[*:1] Cc1nc(C)c(o1)C(=O)Nc1cccc(c1)NC(=O)NC[*:1]
Cc1nc(C)c(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)o1 Cc1nc(C)c(o1)[*:1] O=C(NCc1ccncc1)Nc1cccc(c1)NC(=O)[*:1]
C[C@@H]1CCc2c(sc(NC(=O)CSC3=NC(=O)C4=C5CCCC[C@@H]5SC4=N3)c2C(N)=O)C1 NC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)CSC1=NC(=O)C3C(=N1)S[C@H]1CCCCC=31)c2[*:1]
CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cc(C)c(C)cc3OC)ccc21 CCC[*:1] COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)[*:1]
CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cc(C)c(C)cc3OC)ccc21 COc1cc(C)c(C)cc1[*:1] CCCS(=O)(=O)N1CCCc2cc(ccc21)NS(=O)(=O)[*:1]
Cc1cc(NC(=O)COc2ccc(F)cc2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 Fc1ccc(cc1)[*:1] Cc1cc(NC(=O)CO[*:1])n(n1)-c1nc(cs1)-c1ccc2OCOc2c1
Cc1cc(NC(=O)COc2ccc(F)cc2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 c1cc2OCOc2cc1[*:1] Cc1cc(NC(=O)COc2ccc(F)cc2)n(n1)-c1nc(cs1)[*:1]
Cc1cc(NC(=O)COc2ccc(F)cc2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 Fc1ccc(cc1)OC[*:1] Cc1cc(NC(=O)[*:1])n(n1)-c1nc(cs1)-c1ccc2OCOc2c1
Cc1cc(NC(=O)COc2ccc(F)cc2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 Fc1ccc(cc1)O[*:1] Cc1cc(NC(=O)C[*:1])n(n1)-c1nc(cs1)-c1ccc2OCOc2c1
O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)o1 Brc1ccc(o1)[*:1] O=C(c1ccoc1)N1CCC(CC1)CNC(=O)[*:1]
O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc(Br)o1 c1cc(co1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1ccc(Br)o1
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccccc2)c1 O=C(c1ccc(Br)cc1)[*:1] COc1ccc(OC)c(c1)[C@H]1C(=C([O-])C(=O)N1c1ccccc1)[*:1]
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1[*:1]
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccccc2)c1 Brc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1ccccc1
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccccc2)c1 COc1ccc(OC)c(c1)[*:1] O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1[*:1])c1ccc(Br)cc1
Cc1ccccc1CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F Cc1ccccc1[*:1] Cn1c(=O)c2c(nc(SC[*:1])n2Cc2ccccc2F)n(C)c1=O
Cc1ccccc1CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F Cc1ccccc1C[*:1] Cn1c(=O)c2c(nc(S[*:1])n2Cc2ccccc2F)n(C)c1=O
Cc1ccccc1CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F Fc1ccccc1C[*:1] Cc1ccccc1CSc1nc2c(c(=O)n(C)c(=O)n2C)n1[*:1]
Cc1ccccc1CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F Cc1ccccc1CS[*:1] Cn1c(=O)c2c(nc(n2Cc2ccccc2F)[*:1])n(C)c1=O
Cc1ccccc1CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F Fc1ccccc1[*:1] Cc1ccccc1CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C[*:1]
CCC[NH2+][C@H](Cc1ccncc1)[C@H]1CSCCO1 CCC[*:1] c1cc(ccn1)C[C@@H]([NH2+][*:1])[C@H]1CSCCO1
CCC[NH2+][C@H](Cc1ccncc1)[C@H]1CSCCO1 c1cc(ccn1)[*:1] CCC[NH2+][C@H](C[*:1])[C@H]1CSCCO1
O=C(NCC[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 c1ccc(cc1)[*:1] O=C(NCC[C@H](O)[*:1])c1ccc(cc1)[N+](=O)[O-]
O=C(NCC[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NCC[C@H](O)c1ccccc1)c1ccc(cc1)[*:1]
CC(C)n1ccc(C[C@@H]([NH3+])[C@H]2CN(C)CCO2)n1 CC(C)[*:1] CN1CCO[C@H](C1)[C@H]([NH3+])Cc1ccn(n1)[*:1]
CN(C)S(=O)(=O)c1cc(C(=O)NC2=NCCS2)c(Cl)cc1Cl CN(C)S(=O)(=O)[*:1] O=C(NC1=NCCS1)c1cc(c(Cl)cc1Cl)[*:1]
O=C(NCCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)C(=O)NC2=O c1ccc(cc1)[*:1] O=C(NCCc1nnc(o1)[*:1])c1ccc2C(=O)NC(=O)c2c1
CC(=O)Nc1ccc(OC(=O)C[C@H](C)C(=O)c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)OC(=O)C[C@H](C)C(=O)[*:1]
CC(=O)Nc1ccc(OC(=O)C[C@H](C)C(=O)c2cccc(F)c2)cc1 CC(=O)N[*:1] C[C@@H](CC(=O)Oc1ccc(cc1)[*:1])C(=O)c1cccc(F)c1
C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(CC1)[*:1]
C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2cccc(Cl)c2)CC1 N#Cc1ccccc1[*:1] C[C@@H](C(=O)N[*:1])[NH+]1CCN(CC1)c1cccc(Cl)c1
Cc1ccnc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1 FC(F)(F)C[*:1] Cc1ccnc(c1)NC(=O)[C@@H]1CCCN1C(=O)O[*:1]
Cc1ccnc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1 Cc1ccnc(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN1C(=O)OCC(F)(F)F
Cc1ccnc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccnc(c1)NC(=O)[C@@H]1CCCN1C(=O)OC[*:1]
CC(C)[C@H](NC(=O)N1CCOCC[C@@H]1C)c1cccc(C(F)(F)F)c1 CC(C)[*:1] C[C@H]1CCOCCN1C(=O)N[C@H](c1cccc(c1)C(F)(F)F)[*:1]
CC(C)[C@H](NC(=O)N1CCOCC[C@@H]1C)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[C@H](NC(=O)N1CCOCC[C@@H]1C)c1cccc(c1)[*:1]
O=C(NCc1cc2ccccc2s1)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 c1ccc2sc(cc2c1)[*:1] O=C(NC[*:1])[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1
O=C(NCc1cc2ccccc2s1)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 Fc1cccc(c1)[*:1] O=C(NCc1cc2ccccc2s1)[C@H]1CCC(=O)N(C1)C[*:1]
O=C(NCc1cc2ccccc2s1)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 Fc1cccc(c1)C[*:1] O=C(NCc1cc2ccccc2s1)[C@H]1CCC(=O)N(C1)[*:1]
O=C1N=C(Nc2ccccc2Cl)N=N[C@@H]1Cc1ccc(Cl)cc1 Clc1ccccc1[*:1] O=C1N=C(N=N[C@@H]1Cc1ccc(Cl)cc1)N[*:1]
O=C1N=C(Nc2ccccc2Cl)N=N[C@@H]1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1N=C(N=N[C@@H]1C[*:1])Nc1ccccc1Cl
CCn1nc(C)c(/C=C(/C#N)c2ccc([N+](=O)[O-])c(OC)c2)c1C O=[N+]([O-])[*:1] CCn1nc(C)c(/C=C(/C#N)c2ccc(c(c2)OC)[*:1])c1C
Cc1ccc(C(=O)OCc2csc(-c3ccccn3)n2)cn1 c1ccc(nc1)[*:1] Cc1ccc(cn1)C(=O)OCc1csc(n1)[*:1]
Cc1ccc(C(=O)OCc2csc(-c3ccccn3)n2)cn1 Cc1ccc(cn1)[*:1] O=C(OCc1csc(n1)-c1ccccn1)[*:1]
CCc1ccc(CNC(=O)CSc2nnc(-c3ccco3)n2C)s1 c1coc(c1)[*:1] CCc1ccc(CNC(=O)CSc2nnc(n2C)[*:1])s1
CCc1ccc(CNC(=O)CSc2nnc(-c3ccco3)n2C)s1 CCc1ccc(C[*:1])s1 Cn1c(nnc1-c1ccco1)SCC(=O)N[*:1]
CCc1ccc(CNC(=O)CSc2nnc(-c3ccco3)n2C)s1 CCc1ccc(s1)[*:1] Cn1c(nnc1-c1ccco1)SCC(=O)NC[*:1]
C[C@@H](NC(=O)NCCN(C)c1ccccc1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)NCCN(C)c1ccccc1)[*:1]
C[C@@H](NC(=O)NCCN(C)c1ccccc1)[C@H]1CCCO1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)NCCN(C)[*:1])[C@H]1CCCO1
CCOC(=O)CN1C(=S)N(c2ccccc2OC)[C@@H]2CS(=O)(=O)C[C@H]21 CCOC(=O)C[*:1] COc1ccccc1N1C(=S)N([C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
CCOC(=O)CN1C(=S)N(c2ccccc2OC)[C@@H]2CS(=O)(=O)C[C@H]21 COc1ccccc1[*:1] CCOC(=O)CN1C(=S)N([C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
CCOC(=O)CN1C(=S)N(c2ccccc2OC)[C@@H]2CS(=O)(=O)C[C@H]21 CCOC(=O)[*:1] COc1ccccc1N1C(=S)N(C[*:1])[C@@H]2CS(=O)(=O)C[C@H]21
O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(OCC(F)F)nc1 FC(F)CO[*:1] O=C(NCc1ccc(cc1)-n1ccnc1)c1ccc(nc1)[*:1]
O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(OCC(F)F)nc1 FC(F)[*:1] O=C(NCc1ccc(cc1)-n1ccnc1)c1ccc(nc1)OC[*:1]
O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(OCC(F)F)nc1 c1cn(cn1)[*:1] O=C(NCc1ccc(cc1)[*:1])c1ccc(nc1)OCC(F)F
O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(OCC(F)F)nc1 FC(F)C[*:1] O=C(NCc1ccc(cc1)-n1ccnc1)c1ccc(nc1)O[*:1]
CC1=CC(C)(C)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccc(O)cc21 O=[N+]([O-])c1ccc(cc1)[*:1] CC1=CC(C)(C)N(C(=O)C=C[*:1])c2ccc(O)cc21
CC1=CC(C)(C)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccc(O)cc21 O=[N+]([O-])[*:1] CC1=CC(C)(C)N(C(=O)/C=C/c2ccc(cc2)[*:1])c2ccc(O)cc21
CC(C)n1c([C@H]2CCCN(C(=O)CSC3CCCC3)C2)nn(C)c1=O C1CCC(C1)[*:1] CC(C)n1c(nn(C)c1=O)[C@H]1CCCN(C1)C(=O)CS[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)CSC3CCCC3)C2)nn(C)c1=O CC(C)[*:1] Cn1nc([C@H]2CCCN(C2)C(=O)CSC2CCCC2)n(c1=O)[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)CSC3CCCC3)C2)nn(C)c1=O C1CCC(C1)SC[*:1] CC(C)n1c(nn(C)c1=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC(C)n1c([C@H]2CCCN(C(=O)CSC3CCCC3)C2)nn(C)c1=O C1CCC(C1)S[*:1] CC(C)n1c(nn(C)c1=O)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)c2cccc(OC(F)F)c2)c1 Cc1nnnn1[*:1] O=C(Nc1cc(ccc1F)[*:1])c1cccc(c1)OC(F)F
Cc1nnnn1-c1ccc(F)c(NC(=O)c2cccc(OC(F)F)c2)c1 FC(F)O[*:1] Cc1nnnn1-c1ccc(F)c(c1)NC(=O)c1cccc(c1)[*:1]
Cc1nnnn1-c1ccc(F)c(NC(=O)c2cccc(OC(F)F)c2)c1 FC(F)[*:1] Cc1nnnn1-c1ccc(F)c(c1)NC(=O)c1cccc(c1)O[*:1]
Cc1ccc(O)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(O)c(c1)[N-]S(=O)(=O)c1c(C)cccc1[*:1]
Cn1cc(C(N)=O)cc1C(=O)OCc1cccnc1 NC(=O)[*:1] Cn1cc(cc1C(=O)OCc1cccnc1)[*:1]
Cn1cc(C(N)=O)cc1C(=O)OCc1cccnc1 c1cncc(c1)[*:1] Cn1cc(cc1C(=O)OC[*:1])C(N)=O
CC(C)NC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 CC(C)[*:1] CC(C)NC(=O)Cn1ccc(c1)[C@@H]([NH3+])[*:1]
CC(C)NC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 CC(C)[*:1] CC(C)[C@H]([NH3+])c1ccn(c1)CC(=O)N[*:1]
CCC(=O)N1CCC([NH+]2CCC(Nc3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] CCC(=O)N1CCC(CC1)[NH+]1CCC(CC1)N[*:1]
CCC(=O)N1CCC([NH+]2CCC(Nc3ccccc3)CC2)CC1 c1ccc(cc1)N[*:1] CCC(=O)N1CCC(CC1)[NH+]1CCC(CC1)[*:1]
O=C([O-])c1ccc(CNC(=O)c2cccc(NC(=O)C3CC3)c2)cc1 O=C([O-])[*:1] O=C(NCc1ccc(cc1)[*:1])c1cccc(c1)NC(=O)C1CC1
O=C([O-])c1ccc(CNC(=O)c2cccc(NC(=O)C3CC3)c2)cc1 C1CC1[*:1] O=C([O-])c1ccc(cc1)CNC(=O)c1cccc(c1)NC(=O)[*:1]
O=C([O-])c1ccc(CNC(=O)c2cccc(NC(=O)C3CC3)c2)cc1 O=C(N[*:1])C1CC1 O=C([O-])c1ccc(cc1)CNC(=O)c1cccc(c1)[*:1]
CC(C)Cn1cc[nH+]c(N2C[C@H]3CC=CC[C@@H]3C2)c1=O CC(C)C[*:1] O=c1c([nH+]ccn1[*:1])N1C[C@H]2CC=CC[C@@H]2C1
CC(C)Cn1cc[nH+]c(N2C[C@H]3CC=CC[C@@H]3C2)c1=O CC(C)[*:1] O=c1c([nH+]ccn1C[*:1])N1C[C@H]2CC=CC[C@@H]2C1
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ncc(C)c(OC)c1C C=CC[*:1] COc1c(C)cnc(CNC(=O)N(Cc2cccc(C#N)c2)[*:1])c1C
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ncc(C)c(OC)c1C N#Cc1cccc(c1)C[*:1] C=CCN(C(=O)NCc1ncc(C)c(OC)c1C)[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ncc(C)c(OC)c1C N#Cc1cccc(c1)[*:1] C=CCN(C[*:1])C(=O)NCc1ncc(C)c(OC)c1C
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1[*:1] N#Cc1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)C[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 N#Cc1ccccc1[*:1] O=C(Cc1c(Cl)cccc1Cl)N1CCN(CC1)S(=O)(=O)[*:1]
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1C[*:1] N#Cc1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)[*:1]
Cc1cscc1C(=O)N1CCc2cc(N)ccc21 Cc1cscc1[*:1] Nc1ccc2c(c1)CCN2C(=O)[*:1]
CC(C)c1ccccc1NC(=S)NNC(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)c1ccccc1NC(=S)NNC(=O)c1cccc(c1)[*:1]
CC(C)c1ccccc1NC(=S)NNC(=O)c1cccc(C(F)(F)F)c1 CC(C)[*:1] O=C(NNC(=S)Nc1ccccc1[*:1])c1cccc(c1)C(F)(F)F
O=C(Cc1ccc(Br)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 Brc1ccc(cc1)C[*:1] O=C(N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)[*:1]
O=C(Cc1ccc(Br)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)[*:1] O=C(Cc1ccc(Br)cc1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
O=C(Cc1ccc(Br)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 Brc1ccc(cc1)[*:1] O=C(C[*:1])N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1
O=C(Cc1ccc(Br)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 c1coc(c1)C[*:1] O=C(Cc1ccc(Br)cc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(F)c(NC(=O)C(=O)NCc2cccc(OCC(F)(F)F)c2)c1 FC(F)(F)[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)NCc1cccc(c1)OC[*:1]
Cc1ccc(F)c(NC(=O)C(=O)NCc2cccc(OCC(F)(F)F)c2)c1 Cc1ccc(F)c(c1)[*:1] O=C(NCc1cccc(c1)OCC(F)(F)F)C(=O)N[*:1]
Cc1ccc(F)c(NC(=O)C(=O)NCc2cccc(OCC(F)(F)F)c2)c1 FC(F)(F)C[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)NCc1cccc(c1)O[*:1]
Cc1ccc(F)c(NC(=O)C(=O)NCc2cccc(OCC(F)(F)F)c2)c1 FC(F)(F)CO[*:1] Cc1ccc(F)c(c1)NC(=O)C(=O)NCc1cccc(c1)[*:1]
CCCNc1nc([C@@H]2CN3CCN2CC3)[nH+]c(C)c1C CCCN[*:1] Cc1[nH+]c(nc(c1C)[*:1])[C@@H]1CN2CCN1CC2
CCCNc1nc([C@@H]2CN3CCN2CC3)[nH+]c(C)c1C CCC[*:1] Cc1[nH+]c(nc(N[*:1])c1C)[C@@H]1CN2CCN1CC2
COCCn1cc(C(=O)NCCc2nnc3ccccn23)c2ccccc2c1=O COC[*:1] O=C(NCCc1nnc2ccccn12)c1cn(C[*:1])c(=O)c2ccccc12
COCCn1cc(C(=O)NCCc2nnc3ccccn23)c2ccccc2c1=O COCC[*:1] O=C(NCCc1nnc2ccccn12)c1cn(c(=O)c2ccccc12)[*:1]
COCCn1cc(C(=O)NCCc2nnc3ccccn23)c2ccccc2c1=O c1ccn2c(nnc2c1)[*:1] COCCn1cc(C(=O)NCC[*:1])c2ccccc2c1=O
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN1CCC(c3nc4ccccc4s3)CC1)C2=O c1ccc2sc(nc2c1)[*:1] C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN1CCC(CC1)[*:1])C2=O
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N/N=C/c1ccccc1)n2Cc1ccccc1 c1ccc(cc1)[*:1] Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N/N=C/c1ccccc1)n2C[*:1]
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N/N=C/c1ccccc1)n2Cc1ccccc1 c1ccc(cc1)[*:1] Cn1c(=O)n(C[*:1])c(=O)c2c1nc(N/N=C/c1ccccc1)n2Cc1ccccc1
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N/N=C/c1ccccc1)n2Cc1ccccc1 c1ccc(cc1)[*:1] Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(NN=C[*:1])n2Cc1ccccc1
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N/N=C/c1ccccc1)n2Cc1ccccc1 C(=N/N[*:1])\c1ccccc1 Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(n2Cc1ccccc1)[*:1]
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N/N=C/c1ccccc1)n2Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1c(=O)n(c(=O)c2c1nc(N/N=C/c1ccccc1)n2Cc1ccccc1)[*:1]
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N/N=C/c1ccccc1)n2Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N/N=C/c1ccccc1)n2[*:1]
COc1cccc(/C=C(/C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)n2nnnc2C)c1 Cc1nnnn1[*:1] COc1cccc(C=C(C(=O)N[C@H]2CC[C@H](C2)[NH+](C)C)[*:1])c1
COc1cccc(/C=C(/C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)n2nnnc2C)c1 COc1cccc(c1)[*:1] Cc1nnnn1C(=C[*:1])C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C
C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)[*:1]
C[C@H]1C[C@@H](NC(=O)Nc2cn[nH]c2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1[*:1])NC(=O)Nc1cn[nH]c1
C[C@H]1C[C@@H](NC(=O)Nc2cn[nH]c2)CN1c1ccccc1 c1n[nH]cc1[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)N[*:1]
Cc1cc(NC(=O)[C@@H](C)Nc2cccc(F)c2C)no1 Cc1cc(no1)[*:1] Cc1c(F)cccc1N[C@H](C)C(=O)N[*:1]
CC(C)C[NH2+]Cc1cncc(O[C@H]2CC[C@H](C)[C@@H](C)C2)n1 CC(C)[*:1] C[C@H]1CC[C@@H](C[C@@H]1C)Oc1cncc(C[NH2+]C[*:1])n1
CC(C)C[NH2+]Cc1cncc(O[C@H]2CC[C@H](C)[C@@H](C)C2)n1 CC(C)C[*:1] C[C@H]1CC[C@@H](C[C@@H]1C)Oc1cncc(C[NH2+][*:1])n1
Cc1cccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)O[C@H](C)C(=O)Nc1cccc(Cl)c1[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 Cc1cccc(c1)O[*:1] C[C@H](C(=O)Nc1cccc(Cl)c1N1CCOCC1)[*:1]
Cc1cccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 Cc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)Nc1cccc(Cl)c1N1CCOCC1
COC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(C)c2ccccc21 COC(=O)[*:1] CN1CCN(C(=O)Nc2cc(Cl)ccc2[*:1])c2ccccc21
Cc1nc(CNC(=O)C2(C)CCN(C(=O)OC(C)(C)C)CC2)c(C)s1 Cc1nc(c(C)s1)[*:1] CC(C)(C)OC(=O)N1CCC(C)(CC1)C(=O)NC[*:1]
Cc1nc(CNC(=O)C2(C)CCN(C(=O)OC(C)(C)C)CC2)c(C)s1 Cc1nc(C[*:1])c(C)s1 CC(C)(C)OC(=O)N1CCC(C)(CC1)C(=O)N[*:1]
Cc1nc(CNC(=O)C2(C)CCN(C(=O)OC(C)(C)C)CC2)c(C)s1 CC(C)(C)[*:1] Cc1nc(CNC(=O)C2(C)CCN(CC2)C(=O)O[*:1])c(C)s1
CCNc1cccc(CN(C)CC(=O)NC(C)C)[nH+]1 CCN[*:1] CC(C)NC(=O)CN(C)Cc1cccc([nH+]1)[*:1]
CCNc1cccc(CN(C)CC(=O)NC(C)C)[nH+]1 CC(C)[*:1] CCNc1cccc(CN(C)CC(=O)N[*:1])[nH+]1
CCNc1cccc(CN(C)CC(=O)NC(C)C)[nH+]1 CC(C)NC(=O)[*:1] CCNc1cccc(CN(C)C[*:1])[nH+]1
CCC(=O)N1CCCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCC(=O)N1CCCC[C@H]1C(=O)NCCNc1ccccc1[*:1]
CCC1(CNC(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)CCC1 CCC1(CCC1)[*:1] O=C(/C=C/c1ccc(cc1)N1CCCS1(=O)=O)NC[*:1]
CCC1(CNC(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)CCC1 CCC1(CCC1)C[*:1] O=C(/C=C/c1ccc(cc1)N1CCCS1(=O)=O)N[*:1]
CCC1(CNC(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)CCC1 O=S1(=O)CCCN1[*:1] CCC1(CCC1)CNC(=O)/C=C/c1ccc(cc1)[*:1]
C/C(Cl)=C/Cc1c(C)nc2ccc(Br)cc2c1O C/C(Cl)=C/C[*:1] Cc1nc2ccc(Br)cc2c(O)c1[*:1]
C/C(Cl)=C/Cc1c(C)nc2ccc(Br)cc2c1O CC(Cl)=C[*:1] Cc1nc2ccc(Br)cc2c(O)c1C[*:1]
Cc1cccc(CNC(=O)[C@@H](C)n2cncn2)c1 c1ncn(n1)[*:1] Cc1cccc(c1)CNC(=O)[C@@H](C)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC3)cc2C)cc1 O=C(N1CCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1C)[*:1]
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC3)cc2C)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ccc1N(C)S(=O)(=O)[*:1])C(=O)N1CCCC1
COC(=O)CCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] COC(=O)CCS(=O)(=O)Nc1ccc(cc1)[*:1]
COC(=O)CCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1 COC(=O)C[*:1] O=C([O-])c1ccc(cc1)NS(=O)(=O)C[*:1]
COC(=O)CCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1 COC(=O)CC[*:1] O=C([O-])c1ccc(cc1)NS(=O)(=O)[*:1]
COC(=O)CCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1 COC(=O)[*:1] O=C([O-])c1ccc(cc1)NS(=O)(=O)CC[*:1]
N/C(Cc1ccccc1)=N/OCC(=O)N1CCCCCCC1 c1ccc(cc1)C[*:1] N/C(=N/OCC(=O)N1CCCCCCC1)[*:1]
N/C(Cc1ccccc1)=N/OCC(=O)N1CCCCCCC1 c1ccc(cc1)[*:1] N/C(C[*:1])=N/OCC(=O)N1CCCCCCC1
CSCCNC(=O)c1sc2ncnc(N3CCCCCCC3)c2c1C C1CCCN(CCC1)[*:1] CSCCNC(=O)c1sc2ncnc(c2c1C)[*:1]
CSCCNC(=O)c1sc2ncnc(N3CCCCCCC3)c2c1C CSC[*:1] Cc1c(sc2ncnc(c12)N1CCCCCCC1)C(=O)NC[*:1]
CSCCNC(=O)c1sc2ncnc(N3CCCCCCC3)c2c1C CSCC[*:1] Cc1c(sc2ncnc(c12)N1CCCCCCC1)C(=O)N[*:1]
CSCCNC(=O)c1sc2ncnc(N3CCCCCCC3)c2c1C CSCCNC(=O)[*:1] Cc1c(sc2ncnc(c12)N1CCCCCCC1)[*:1]
N#Cc1ccnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)c1 N#Cc1ccnc(c1)[*:1] O=C(CS[*:1])N(C1CCCCC1)C1CCCCC1
N#Cc1ccnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)c1 C1CCC(CC1)[*:1] N#Cc1ccnc(c1)SCC(=O)N(C1CCCCC1)[*:1]
Cn1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)n1 O=[N+]([O-])[*:1] Cn1ccc(n1)C(=O)NCCn1cc(cn1)[*:1]
Cn1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)n1 Cn1ccc(n1)[*:1] O=C(NCCn1cc(cn1)[N+](=O)[O-])[*:1]
Cc1cccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 Clc1ccc(c(Cl)c1)[*:1] Cc1cccc(c1)OCC(=O)NNC(=O)[C@H](C)O[*:1]
Cc1cccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 Cc1cccc(c1)O[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C[*:1]
Cc1cccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 Cc1cccc(c1)[*:1] C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CO[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] O=C([O-])[*:1] C[C@H]1C[C@H]1C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
C[C@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] FC(F)(F)[*:1] C[C@H]1C[C@H]1C(=O)Nc1cc(ccc1C(=O)[O-])[*:1]
C[C@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] C[C@H]1C[C@@H]1[*:1] O=C([O-])c1ccc(cc1NC(=O)[*:1])C(F)(F)F
COc1ncccc1NC(=O)N(C)Cc1ccc(C(N)=O)cc1 NC(=O)[*:1] COc1ncccc1NC(=O)N(C)Cc1ccc(cc1)[*:1]
COCc1ccc(CN2CCN(C3=[NH+]C[C@H](C)S3)CC2)o1 COC[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)Cc1ccc(o1)[*:1]
Clc1ccc(C[NH2+][C@H]2CCCc3cccnc32)s1 Clc1ccc(s1)[*:1] c1cnc2c(c1)CCC[C@@H]2[NH2+]C[*:1]
CC[C@H](C)NC(=O)c1ccc(N2CCCCC2=O)cc1 CC[C@H](C)[*:1] O=C(N[*:1])c1ccc(cc1)N1CCCCC1=O
CCC[C@H](C#N)NC(=O)C(C)(C)Oc1ccc(F)cc1 CCC[*:1] CC(C)(Oc1ccc(F)cc1)C(=O)N[C@@H](C#N)[*:1]
CO[C@H]1CCCN(C(=O)NCc2ccc(OCC(F)(F)F)cc2)C1 FC(F)(F)[*:1] CO[C@H]1CCCN(C1)C(=O)NCc1ccc(cc1)OC[*:1]
CO[C@H]1CCCN(C(=O)NCc2ccc(OCC(F)(F)F)cc2)C1 FC(F)(F)C[*:1] CO[C@H]1CCCN(C1)C(=O)NCc1ccc(cc1)O[*:1]
CO[C@H]1CCCN(C(=O)NCc2ccc(OCC(F)(F)F)cc2)C1 FC(F)(F)CO[*:1] CO[C@H]1CCCN(C1)C(=O)NCc1ccc(cc1)[*:1]
CSCc1noc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 CSCc1noc(n1)[*:1] CN(C)C(=O)N1CCN(C[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CSCc1noc(CN2CCN(C(=O)N(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 CSC[*:1] CN(C)C(=O)N1CCN(Cc2nc(no2)[*:1])[C@H]2CS(=O)(=O)C[C@H]21
CCC(C)(C)c1cccc(C(=O)[O-])c1 O=C([O-])[*:1] CCC(C)(C)c1cccc(c1)[*:1]
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CCCn2ccnn2)CC1 c1cn(C[*:1])nn1 C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC1)C(=O)CC[*:1]
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CCCn2ccnn2)CC1 Fc1cccc(c1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)CCCn1ccnn1
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CCCn2ccnn2)CC1 c1cn(CC[*:1])nn1 C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC1)C(=O)C[*:1]
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CCCn2ccnn2)CC1 c1cn(nn1)[*:1] C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC1)C(=O)CCC[*:1]
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CCCn2ccnn2)CC1 c1cn(CCC[*:1])nn1 C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC1)C(=O)[*:1]
CCCn1c(NC(=O)c2ccc(CC)cc2)nc2ccccc21 CCC[*:1] CCc1ccc(cc1)C(=O)Nc1nc2ccccc2n1[*:1]
Cc1ccc(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)s1 Cc1ccc(s1)[*:1] O=C(Nc1cnn(c1)CC[NH+]1CCCCC1)[*:1]
O=C(NCCC[NH+]1CCCCC1)C1CCN(c2ncccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(NCCC[NH+]1CCCCC1)C1CCN(CC1)c1ncccc1[*:1]
O=C(NCCC[NH+]1CCCCC1)C1CCN(c2ncccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1cccnc1[*:1] O=C(NCCC[NH+]1CCCCC1)C1CCN(CC1)[*:1]
CCN(C(=O)C[NH+](CC(N)=O)C(C)C)c1ccccc1 NC(=O)C[*:1] CCN(C(=O)C[NH+](C(C)C)[*:1])c1ccccc1
CCN(C(=O)C[NH+](CC(N)=O)C(C)C)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)C[NH+](CC(N)=O)C(C)C)[*:1]
CCN(C(=O)C[NH+](CC(N)=O)C(C)C)c1ccccc1 CC(C)[*:1] CCN(C(=O)C[NH+](CC(N)=O)[*:1])c1ccccc1
CCN(C(=O)C[NH+](CC(N)=O)C(C)C)c1ccccc1 NC(=O)[*:1] CCN(C(=O)C[NH+](C[*:1])C(C)C)c1ccccc1
Cn1c(=O)oc2cc(S(=O)(=O)NNc3ccccc3)ccc21 c1ccc(cc1)[*:1] Cn1c(=O)oc2cc(ccc21)S(=O)(=O)NN[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)N[C@@H]2CCC[C@H](C)C2)CC1 CC(C)N(C)C(=O)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)[*:1]
CC(C)N(C)C(=O)C1CCN(C(=O)N[C@@H]2CCC[C@H](C)C2)CC1 CC(C)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)N1CCC(CC1)C(=O)N(C)[*:1]
CC(=O)C[C@@H]1CCCCCN1S(=O)(=O)CC1CCCCC1 CC(=O)C[*:1] O=S(=O)(CC1CCCCC1)N1CCCCC[C@H]1[*:1]
CC(=O)C[C@@H]1CCCCCN1S(=O)(=O)CC1CCCCC1 C1CCC(CC1)C[*:1] CC(=O)C[C@@H]1CCCCCN1S(=O)(=O)[*:1]
CC(=O)C[C@@H]1CCCCCN1S(=O)(=O)CC1CCCCC1 C1CCC(CC1)[*:1] CC(=O)C[C@@H]1CCCCCN1S(=O)(=O)C[*:1]
CC(=O)C[C@@H]1CCCCCN1S(=O)(=O)CC1CCCCC1 CC(=O)[*:1] O=S(=O)(CC1CCCCC1)N1CCCCC[C@H]1C[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)NCc1csc(N(C)C)n1 FC(F)(F)C[*:1] CN(C)c1nc(cs1)CNC(=O)NCC(=O)N(C)[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)NCc1csc(N(C)C)n1 CN(C)[*:1] CN(CC(F)(F)F)C(=O)CNC(=O)NCc1csc(n1)[*:1]
CN(CC(F)(F)F)C(=O)CNC(=O)NCc1csc(N(C)C)n1 FC(F)(F)[*:1] CN(C[*:1])C(=O)CNC(=O)NCc1csc(n1)N(C)C
C[C@@H](NC(=O)NCc1cccc(OCC#N)c1)c1ccc(Cl)s1 N#CCO[*:1] C[C@@H](NC(=O)NCc1cccc(c1)[*:1])c1ccc(Cl)s1
C[C@@H](NC(=O)NCc1cccc(OCC#N)c1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)NCc1cccc(c1)OCC#N)[*:1]
C[C@@H](NC(=O)NCc1cccc(OCC#N)c1)c1ccc(Cl)s1 N#CC[*:1] C[C@@H](NC(=O)NCc1cccc(c1)O[*:1])c1ccc(Cl)s1
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C#N)C1 CC(C)(C)[*:1] N#C[C@H]1CN(C[C@@H]1O)C(=O)O[*:1]
CC(C)c1n[nH]c([C@H]2CN(CC3(O)CCCCC3)CCO2)n1 CC(C)[*:1] OC1(CCCCC1)CN1CCO[C@H](C1)c1nc(n[nH]1)[*:1]
CC(C)c1n[nH]c([C@H]2CN(CC3(O)CCCCC3)CCO2)n1 OC1(CCCCC1)[*:1] CC(C)c1n[nH]c(n1)[C@H]1CN(CCO1)C[*:1]
CC(C)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(C)C CC(C)[*:1] CC(C)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C[*:1]
CC(C)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(C)C CC(C)[*:1] CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OC[*:1]
CC(C)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(C)C CC(C)C[*:1] CC(C)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2[*:1]
CC(C)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(C)C CC(C)C[*:1] CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[*:1]
CC(C)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(C)C CC(C)COC(=O)[*:1] CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12[*:1]
Cc1c(C)c(C)c(S(=O)(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c(C)c1C c1ccc(cc1)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)N1CCNC(=O)C[C@@H]1[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(cc(c1C)S(N)(=O)=O)C(=O)N(C)[C@H](C)[*:1]
Cc1ccc([C@@H](C)N(C)C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)cc1 NS(=O)(=O)[*:1] Cc1ccc(cc1)[C@@H](C)N(C)C(=O)c1cc(C)c(C)c(c1)[*:1]
Cc1ccc(Nc2c3ccccc3nc3c2c(C)nn3C)cc1 Cc1ccc(cc1)[*:1] Cc1nn(C)c2nc3ccccc3c(N[*:1])c12
CCOC(=O)C1=C(COC)Nc2ncnn2[C@H]1c1cc([N+](=O)[O-])ccc1Cl O=[N+]([O-])[*:1] CCOC(=O)C1=C(COC)Nc2ncnn2[C@H]1c1cc(ccc1Cl)[*:1]
CCOC(=O)C1=C(COC)Nc2ncnn2[C@H]1c1cc([N+](=O)[O-])ccc1Cl COC[*:1] CCOC(=O)C1=C(Nc2ncnn2[C@H]1c1cc(ccc1Cl)[N+](=O)[O-])[*:1]
CCOC(=O)C1=C(COC)Nc2ncnn2[C@H]1c1cc([N+](=O)[O-])ccc1Cl CCOC(=O)[*:1] COCC1Nc2ncnn2[C@H](C=1[*:1])c1cc(ccc1Cl)[N+](=O)[O-]
COc1cc(C[NH+](C)Cc2noc(C(C)C)n2)ccc1O CC(C)[*:1] COc1cc(ccc1O)C[NH+](C)Cc1noc(n1)[*:1]
O=C(c1scnc1C1CC1)N1CC(Oc2ccccc2Cl)C1 Clc1ccccc1[*:1] O=C(c1scnc1C1CC1)N1CC(C1)O[*:1]
O=C(c1scnc1C1CC1)N1CC(Oc2ccccc2Cl)C1 C1CC1[*:1] O=C(c1scnc1[*:1])N1CC(C1)Oc1ccccc1Cl
O=C(c1cncc(N2CCO[C@H](C(F)(F)F)C2)n1)N1CCCC1 O=C(N1CCCC1)[*:1] FC(F)(F)[C@@H]1CN(CCO1)c1cncc(n1)[*:1]
O=C(c1cncc(N2CCO[C@H](C(F)(F)F)C2)n1)N1CCCC1 FC(F)(F)[*:1] O=C(c1cncc(n1)N1CCO[C@H](C1)[*:1])N1CCCC1
CCn1c(SCc2nccn2C)nc2sc(C)c(C)c2c1=O Cn1ccnc1[*:1] CCn1c(nc2sc(C)c(C)c2c1=O)SC[*:1]
CCn1c(SCc2nccn2C)nc2sc(C)c(C)c2c1=O Cn1ccnc1C[*:1] CCn1c(nc2sc(C)c(C)c2c1=O)S[*:1]
O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(c2cc[nH+]cc2)CC1 C1CC1[*:1] O=C(N[C@@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)c1cc[nH+]cc1
O=C(NCC1CC[NH+](Cc2cccc(F)c2)CC1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 c1csc(c1)-c1ccc(nn1)[*:1] O=C(NCC1CC[NH+](CC1)Cc1cccc(F)c1)C1CCN(CC1)[*:1]
O=C(NCC1CC[NH+](Cc2cccc(F)c2)CC1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 c1csc(c1)[*:1] O=C(NCC1CC[NH+](CC1)Cc1cccc(F)c1)C1CCN(CC1)c1ccc(nn1)[*:1]
O=C(NCC1CC[NH+](Cc2cccc(F)c2)CC1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 Fc1cccc(c1)C[*:1] O=C(NCC1CC[NH+](CC1)[*:1])C1CCN(CC1)c1ccc(nn1)-c1cccs1
O=C(NCC1CC[NH+](Cc2cccc(F)c2)CC1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 Fc1cccc(c1)[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])C1CCN(CC1)c1ccc(nn1)-c1cccs1
O=C([O-])[C@@H](Cc1ccncc1)c1ccc(Cl)cc1 c1cc(ccn1)[*:1] O=C([O-])[C@@H](C[*:1])c1ccc(Cl)cc1
O=C([O-])[C@@H](Cc1ccncc1)c1ccc(Cl)cc1 O=C([O-])[*:1] Clc1ccc(cc1)[C@H](Cc1ccncc1)[*:1]
CCCOc1ccccc1C(=O)Nc1cccc2cccnc12 CCCO[*:1] O=C(Nc1cccc2cccnc12)c1ccccc1[*:1]
CCCOc1ccccc1C(=O)Nc1cccc2cccnc12 CCC[*:1] O=C(Nc1cccc2cccnc12)c1ccccc1O[*:1]
C[C@@]1(C(=O)N(Cc2cccs2)CC(F)(F)F)CC1(Cl)Cl c1csc(c1)C[*:1] C[C@]1(CC1(Cl)Cl)C(=O)N(CC(F)(F)F)[*:1]
C[C@@]1(C(=O)N(Cc2cccs2)CC(F)(F)F)CC1(Cl)Cl FC(F)(F)C[*:1] C[C@]1(CC1(Cl)Cl)C(=O)N(Cc1cccs1)[*:1]
C[C@@]1(C(=O)N(Cc2cccs2)CC(F)(F)F)CC1(Cl)Cl FC(F)(F)[*:1] C[C@]1(CC1(Cl)Cl)C(=O)N(Cc1cccs1)C[*:1]
C[C@@]1(C(=O)N(Cc2cccs2)CC(F)(F)F)CC1(Cl)Cl c1csc(c1)[*:1] C[C@]1(CC1(Cl)Cl)C(=O)N(CC(F)(F)F)C[*:1]
O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)n[nH]c1N2 O=[N+]([O-])[*:1] O=C1CCCC2Nc3[nH]nc(O)c3[C@@H](C=21)c1cccc(c1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 NC(=O)N[*:1] CC(C)[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 CC(C)[*:1] NC(=O)N[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 Clc1ccc(cc1)[*:1] CC(C)[C@H](NC(N)=O)C(=O)NC[C@@H](n1cccn1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 CC(C)[C@H](NC(N)=O)[*:1] O=C(NC[C@@H](c1ccc(Cl)cc1)n1cccn1)[*:1]
CC(C)[C@H](NC(N)=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 c1cnn(c1)[*:1] CC(C)[C@H](NC(N)=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[*:1]
O=C(O[C@H]1CCOC1=O)c1ccccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(O[C@H]1CCOC1=O)c1ccccc1O[*:1]
O=C(O[C@H]1CCOC1=O)c1ccccc1OCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(O[C@H]1CCOC1=O)c1ccccc1OC[*:1]
C/C(=C/c1cccc(OC(C)C)c1)C[NH2+]C1CC1 C1CC1[*:1] C/C(=C/c1cccc(c1)OC(C)C)C[NH2+][*:1]
C/C(=C/c1cccc(OC(C)C)c1)C[NH2+]C1CC1 CC(C)O[*:1] C/C(=C/c1cccc(c1)[*:1])C[NH2+]C1CC1
C/C(=C/c1cccc(OC(C)C)c1)C[NH2+]C1CC1 CC(C)[*:1] C/C(=C/c1cccc(c1)O[*:1])C[NH2+]C1CC1
CC[C@H]([NH2+][C@@H]1CSCc2ccccc21)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@H]([NH2+][C@@H]1CSCc2ccccc21)[*:1]
[NH3+][C@@H]1CC[C@H](OCc2ccc(Cl)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] [NH3+][C@@H]1CC[C@@H](C1)OCc1ccc(Cl)cc1[*:1]
O=C(CCS(=O)(=O)C1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 O=S(=O)(C1CCCC1)[*:1] O=C(CC[*:1])N1CCN(CC1)c1cc[nH+]cc1
O=C(CCS(=O)(=O)C1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 C1CCC(C1)[*:1] O=C(CCS(=O)(=O)[*:1])N1CCN(CC1)c1cc[nH+]cc1
Cn1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])n1 O=C([O-])[*:1] Cn1ccc(n1)NC(=O)[C@@H]1CCCC[C@H]1[*:1]
Cn1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])n1 Cn1ccc(n1)[*:1] O=C([O-])[C@H]1CCCC[C@H]1C(=O)N[*:1]
O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1)NCCC1=CCCCC1 Fc1cccc(c1)[*:1] O=C(C[C@H]1C(=O)NCCN1C[*:1])NCCC1=CCCCC1
O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1)NCCC1=CCCCC1 Fc1cccc(c1)C[*:1] O=C(C[C@H]1C(=O)NCCN1[*:1])NCCC1=CCCCC1
C[C@H]1C[C@H](C)CN(C(=O)NCc2nccn2Cc2ccccc2)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)NCc1nccn1C[*:1]
C[C@H]1C[C@H](C)CN(C(=O)NCc2nccn2Cc2ccccc2)C1 c1ccc(cc1)C[*:1] C[C@H]1C[C@H](C)CN(C1)C(=O)NCc1nccn1[*:1]
Cc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cnn1C CC(C)(C)[*:1] Cc1c(cnn1C)C(=O)Nc1ccc(F)c(c1)S(=O)(=O)N[*:1]
Cc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cnn1C Cc1c(cnn1C)[*:1] CC(C)(C)NS(=O)(=O)c1cc(ccc1F)NC(=O)[*:1]
Cc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cnn1C CC(C)(C)NS(=O)(=O)[*:1] Cc1c(cnn1C)C(=O)Nc1ccc(F)c(c1)[*:1]
Cc1ncn(C[C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c1C CC(C)O[*:1] Cc1ncn(C[C@H](C)[NH2+][C@H](C)c2ccc(cc2)[*:1])c1C
Cc1ncn(C[C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c1C CC(C)[*:1] Cc1ncn(C[C@H](C)[NH2+][C@H](C)c2ccc(cc2)O[*:1])c1C
Cc1ncn(C[C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c1C Cc1ncn(c1C)[*:1] CC(C)Oc1ccc(cc1)[C@@H](C)[NH2+][C@@H](C)C[*:1]
Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](c2cc(=O)[nH]cn2)C1 Clc1cccc(c1)[*:1] Cc1oc(nc1CN1CCC[C@H](C1)c1cc(=O)[nH]cn1)[*:1]
Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](c2cc(=O)[nH]cn2)C1 O=c1cc(nc[nH]1)[*:1] Cc1oc(nc1CN1CCC[C@@H](C1)[*:1])-c1cccc(Cl)c1
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1CCN(C(=O)N(C)C)CC1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)N1CCN(CC1)C(=O)N(C)C)[*:1]
O=C(NNc1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccnc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NN[*:1])c1cc(Cl)ccc1NC(=O)c1cccnc1Oc1ccccc1
O=C(NNc1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccnc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NNc1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccnc1O[*:1]
O=C(NNc1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccnc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(NNc1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccnc1[*:1]
O=C(NNc1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccnc1Oc1ccccc1 O=C(NNc1ccccc1)[*:1] O=C(Nc1ccc(Cl)cc1[*:1])c1cccnc1Oc1ccccc1
C[C@@H](C1CC1)N(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CC1 C1CC1[*:1] C[C@@H](N(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CC1 C1CC1[*:1] C[C@@H](C1CC1)N(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[*:1]
C[C@@H](C1CC1)N(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CC1 C1CN(CCO1)[*:1] C[C@@H](C1CC1)N(C(=O)NC[C@@H](c1ccc(F)cc1)[*:1])C1CC1
C[C@@H](C1CC1)N(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CC1 C[C@@H](C1CC1)[*:1] O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)N(C1CC1)[*:1]
C[C@@H](C1CC1)N(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CC1 Fc1ccc(cc1)[*:1] C[C@@H](C1CC1)N(C(=O)NC[C@@H](N1CCOCC1)[*:1])C1CC1
CCn1cc(Br)c(CN(C)C(=O)Cn2nc(C(F)F)c3c2CCC3)n1 CCn1cc(Br)c(n1)[*:1] CN(C[*:1])C(=O)Cn1nc(c2CCCc21)C(F)F
CCn1cc(Br)c(CN(C)C(=O)Cn2nc(C(F)F)c3c2CCC3)n1 FC(F)[*:1] CCn1cc(Br)c(CN(C)C(=O)Cn2nc(c3CCCc32)[*:1])n1
CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCCO OCC[*:1] CC(=O)N[C@H](C)C(=O)N[C@@H](C)C[*:1]
CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCCO CC(=O)N[*:1] C[C@@H](CCCO)NC(=O)[C@@H](C)[*:1]
CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCCO OCCC[*:1] CC(=O)N[C@H](C)C(=O)N[C@@H](C)[*:1]
Cc1ccc(CC(=O)N2CCC(Nc3cccn[nH+]3)CC2)cn1 Cc1ccc(cn1)[*:1] O=C(C[*:1])N1CCC(CC1)Nc1cccn[nH+]1
O=C(NCCc1ccc(F)cc1)NCC1CC1 C1CC1[*:1] O=C(NCCc1ccc(F)cc1)NC[*:1]
O=C(NCCc1ccc(F)cc1)NCC1CC1 C1CC1C[*:1] O=C(NCCc1ccc(F)cc1)N[*:1]
CC[NH+]1CCN(C2(C(=O)N(C)Cc3ccc(C)o3)Cc3ccccc3C2)CC1 Cc1ccc(o1)[*:1] CC[NH+]1CCN(CC1)C1(Cc2ccccc2C1)C(=O)N(C)C[*:1]
CC[NH+]1CCN(C2(C(=O)N(C)Cc3ccc(C)o3)Cc3ccccc3C2)CC1 Cc1ccc(C[*:1])o1 CC[NH+]1CCN(CC1)C1(Cc2ccccc2C1)C(=O)N(C)[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCOC[C@@H]1C#N C[C@@H](CC#N)S[*:1] N#C[C@H]1COCCN1CC(=O)Nc1ccccc1[*:1]
C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCOC[C@@H]1C#N N#CC[*:1] C[C@@H](Sc1ccccc1NC(=O)CN1CCOC[C@@H]1C#N)[*:1]
N#C[C@@H](NC(=O)CNc1cccc(F)c1)c1ccc(F)cc1F Fc1cccc(c1)[*:1] N#C[C@@H](NC(=O)CN[*:1])c1ccc(F)cc1F
COC(=O)N(C)CCCC(=O)N1CCOC[C@H]1CC(C)C COC(=O)N(C)C[*:1] CC(C)C[C@@H]1COCCN1C(=O)CC[*:1]
COC(=O)N(C)CCCC(=O)N1CCOC[C@H]1CC(C)C COC(=O)N(C)[*:1] CC(C)C[C@@H]1COCCN1C(=O)CCC[*:1]
COC(=O)N(C)CCCC(=O)N1CCOC[C@H]1CC(C)C CC(C)C[*:1] COC(=O)N(C)CCCC(=O)N1CCOC[C@@H]1[*:1]
COC(=O)N(C)CCCC(=O)N1CCOC[C@H]1CC(C)C CC(C)[*:1] COC(=O)N(C)CCCC(=O)N1CCOC[C@H]1C[*:1]
CCOc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc(C)c(C(C)=O)c3c2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)S(=O)(=O)N(C(=O)[*:1])c1ccc2oc(C)c(C(C)=O)c2c1
CCOc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc(C)c(C(C)=O)c3c2)cc1 CCOc1ccc(cc1)[*:1] CC(=O)c1c(C)oc2ccc(cc12)N(C(=O)c1ccccc1)S(=O)(=O)[*:1]
CCOc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc(C)c(C(C)=O)c3c2)cc1 CCO[*:1] CC(=O)c1c(C)oc2ccc(cc12)N(C(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc(C)c(C(C)=O)c3c2)cc1 CC(=O)[*:1] CCOc1ccc(cc1)S(=O)(=O)N(C(=O)c1ccccc1)c1ccc2oc(C)c(c2c1)[*:1]
O=C(Cc1cccc(O)c1)NNc1ccc(-c2ccccc2)nn1 Oc1cccc(c1)C[*:1] O=C(NNc1ccc(nn1)-c1ccccc1)[*:1]
O=C(Cc1cccc(O)c1)NNc1ccc(-c2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(Cc1cccc(O)c1)NNc1ccc(nn1)[*:1]
O=C(Cc1cccc(O)c1)NNc1ccc(-c2ccccc2)nn1 Oc1cccc(c1)[*:1] O=C(C[*:1])NNc1ccc(nn1)-c1ccccc1
Cc1ccc(-c2ccc(C=C(C#N)C#N)o2)cc1Cl N#CC(C#N)=C[*:1] Cc1ccc(cc1Cl)-c1ccc(o1)[*:1]
C[C@H]1CN(C(=O)c2ccccc2C(=O)c2cccs2)C[C@@H](C)O1 c1csc(c1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccccc1C(=O)[*:1]
C[C@H]1CN(C(=O)c2ccccc2C(=O)c2cccs2)C[C@@H](C)O1 O=C(c1cccs1)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccccc1[*:1]
COc1ccc(F)c(CN(Cc2sccc2C)C[C@H](C)O)c1 C[C@H](O)[*:1] COc1ccc(F)c(c1)CN(Cc1sccc1C)C[*:1]
COc1ccc(F)c(CN(Cc2sccc2C)C[C@H](C)O)c1 C[C@H](O)C[*:1] COc1ccc(F)c(c1)CN(Cc1sccc1C)[*:1]
COc1ccc(F)c(CN(Cc2sccc2C)C[C@H](C)O)c1 Cc1ccsc1[*:1] COc1ccc(F)c(c1)CN(C[C@H](C)O)C[*:1]
COc1ccc(F)c(CN(Cc2sccc2C)C[C@H](C)O)c1 Cc1ccsc1C[*:1] COc1ccc(F)c(c1)CN(C[C@H](C)O)[*:1]
O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1Cc2ccccc2O1 c1ccc2O[C@@H](Cc2c1)[*:1] O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)[*:1]
O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1Cc2ccccc2O1 C1CN(CCO1)[*:1] O=C(NC[C@@H](c1ccccc1Cl)[*:1])[C@@H]1Cc2ccccc2O1
O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1Cc2ccccc2O1 Clc1ccccc1[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])[C@@H]1Cc2ccccc2O1
c1ccc(CN2CN(n3cnnc3)c3nc4ccccc4n3C2)cc1 c1ccc(cc1)C[*:1] c1ccc2c(c1)nc1N(CN(Cn12)[*:1])n1cnnc1
c1ccc(CN2CN(n3cnnc3)c3nc4ccccc4n3C2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)nc1N(CN(Cn12)C[*:1])n1cnnc1
CC[NH+](CC)[C@@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[NH+](CC)[C@@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)[*:1]
C=CCNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c12 C=CCN[*:1] Cc1sc2nc(C[NH+]3CCCC3)nc(c2c1C)[*:1]
C=CCNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c12 C=CC[*:1] Cc1sc2nc(C[NH+]3CCCC3)nc(N[*:1])c2c1C
CN1CCO[C@H](C(=O)NC2(C(N)=O)CCCCC2)C1 NC(=O)[*:1] CN1CCO[C@@H](C1)C(=O)NC1(CCCCC1)[*:1]
CN(C(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1)c1ccccc1 CN(C(=O)[*:1])c1ccccc1 O=C(C[C@H]1SC(=NC1=O)N1CCCCC1)Nc1cccc(c1)[*:1]
CN(C(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1cccc(c1)NC(=O)C[C@H]1SC(=NC1=O)N1CCCCC1)[*:1]
C[C@@H](Nc1ccccc1C(=O)[O-])C(=O)[O-] O=C([O-])[*:1] C[C@@H](Nc1ccccc1C(=O)[O-])[*:1]
C[C@@H](Nc1ccccc1C(=O)[O-])C(=O)[O-] C[C@@H](C(=O)[O-])[*:1] O=C([O-])c1ccccc1N[*:1]
C[C@@H](Nc1ccccc1C(=O)[O-])C(=O)[O-] O=C([O-])[*:1] C[C@@H](Nc1ccccc1[*:1])C(=O)[O-]
CCC[C@H](C)CS(=O)(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O CCC[C@H](C)C[*:1] O=C1[C@H](CCN1c1c(F)cccc1F)NS(=O)(=O)[*:1]
CCC[C@H](C)CS(=O)(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O CCC[*:1] C[C@H](CS(=O)(=O)N[C@H]1CCN(C1=O)c1c(F)cccc1F)[*:1]
CCC[C@H](C)CS(=O)(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O Fc1cccc(F)c1[*:1] CCC[C@H](C)CS(=O)(=O)N[C@H]1CCN(C1=O)[*:1]
CCC[C@H](C)CS(=O)(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O CCC[C@H](C)[*:1] O=C1[C@H](CCN1c1c(F)cccc1F)NS(=O)(=O)C[*:1]
COc1cc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)cc2c1OCCO2 c1cnn(c1)[*:1] COc1cc(cc2OCCOc12)C[NH2+][C@@H](C)c1cccc(c1)[*:1]
COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2Cl)c1=O COc1ccccc1[*:1] O=C(Cn1c(=O)n(C[*:1])c(=O)c2sccc21)Nc1ccccc1Cl
COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2Cl)c1=O Clc1ccccc1[*:1] COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N[*:1])c1=O
COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2Cl)c1=O COc1ccccc1C[*:1] O=C(Cn1c(=O)n(c(=O)c2sccc21)[*:1])Nc1ccccc1Cl
COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2Cl)c1=O O=C(Nc1ccccc1Cl)[*:1] COc1ccccc1Cn1c(=O)c2sccc2n(C[*:1])c1=O
CC[C@@](C)(NC(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)c1cnc(Cl)c(Cl)c1)[*:1]
COc1cccc([C@@H](NCc2ccc(OC)c(F)c2)c2[nH+]ccn2C)c1 COc1cccc(c1)[*:1] COc1ccc(cc1F)CN[C@@H](c1[nH+]ccn1C)[*:1]
Cc1ccc(NC(=O)N(Cc2cccs2)C(C)C)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)NC(=O)N(C[*:1])C(C)C
Cc1ccc(NC(=O)N(Cc2cccs2)C(C)C)cc1 c1csc(c1)C[*:1] Cc1ccc(cc1)NC(=O)N(C(C)C)[*:1]
Cc1ccc(NC(=O)N(Cc2cccs2)C(C)C)cc1 CC(C)[*:1] Cc1ccc(cc1)NC(=O)N(Cc1cccs1)[*:1]
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nnc(Cc2c(F)cccc2Cl)o1 c1ccc(cc1)C[*:1] O=C(NC1CC[NH+](CC1)[*:1])c1nnc(Cc2c(F)cccc2Cl)o1
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nnc(Cc2c(F)cccc2Cl)o1 c1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1nnc(Cc2c(F)cccc2Cl)o1
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nnc(Cc2c(F)cccc2Cl)o1 Fc1cccc(Cl)c1C[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)c1nnc(o1)[*:1]
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nnc(Cc2c(F)cccc2Cl)o1 Fc1cccc(Cl)c1[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)c1nnc(C[*:1])o1
CC1=NC(S[C@@H](C)C(=O)Nc2ccc(C)cc2)=NC(=O)[C@@H]1CCO Cc1ccc(cc1)[*:1] CC1=NC(=NC(=O)[C@@H]1CCO)S[C@@H](C)C(=O)N[*:1]
CC1=NC(S[C@@H](C)C(=O)Nc2ccc(C)cc2)=NC(=O)[C@@H]1CCO OCC[*:1] CC1=NC(=NC(=O)[C@H]1[*:1])S[C@@H](C)C(=O)Nc1ccc(C)cc1
O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 c1cc2OCCOc2cc1[*:1] O=C(N[*:1])[C@@H]1CN(c2ccccc2O1)S(=O)(=O)c1ccccc1
O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 c1ccc(cc1)[*:1] O=C(Nc1ccc2OCCOc2c1)[C@@H]1CN(c2ccccc2O1)S(=O)(=O)[*:1]
C[NH+](C)[C@H](CNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@H](CNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[*:1]
O=C(c1ccccc1Nc1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 O=S(=O)(N[*:1])c1cccs1 O=C(c1ccccc1Nc1ccccc1)N1CCC(CC1)[*:1]
O=C(c1ccccc1Nc1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(c1ccccc1Nc1ccccc1)N1CCC(CC1)NS(=O)(=O)[*:1]
O=C(c1ccccc1Nc1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 c1ccc(cc1)N[*:1] O=C(c1ccccc1[*:1])N1CCC(CC1)NS(=O)(=O)c1cccs1
O=C(c1ccccc1Nc1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 c1ccc(cc1)[*:1] O=C(c1ccccc1N[*:1])N1CCC(CC1)NS(=O)(=O)c1cccs1
CCCC[C@H](CC)Cn1ccc(C(=O)[O-])c1 CCC[*:1] CC[C@H](Cn1ccc(c1)C(=O)[O-])C[*:1]
CCCC[C@H](CC)Cn1ccc(C(=O)[O-])c1 CCCC[*:1] CC[C@H](Cn1ccc(c1)C(=O)[O-])[*:1]
CCCC[C@H](CC)Cn1ccc(C(=O)[O-])c1 O=C([O-])[*:1] CCCC[C@H](CC)Cn1ccc(c1)[*:1]
O=C1OCCN1c1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 O=C1OCCN1[*:1] O=C(c1ccc(cc1)[*:1])N1CCC[C@@H]1c1cccc(F)c1
O=C1OCCN1c1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] O=C1OCCN1c1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])ccc1NC(=O)c1ccccc1 O=C(N[*:1])c1ccccc1 COc1cc(ccc1[*:1])NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]
COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])ccc1NC(=O)c1ccccc1 O=C([O-])[*:1] COc1cc(ccc1NC(=O)c1ccccc1)NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1[*:1]
COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])ccc1NC(=O)c1ccccc1 c1ccc(cc1)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]
CC1(C)CCC[C@H]1NC(=O)NC1CCN(C(=O)c2ccoc2)CC1 c1cc(co1)[*:1] CC1(C)CCC[C@H]1NC(=O)NC1CCN(CC1)C(=O)[*:1]
CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCC[C@@H](CO)C3)c2c1C CCOC(=O)[*:1] Cc1c(sc2nc(C[NH+](C)C)nc(c12)N1CCC[C@@H](CO)C1)[*:1]
CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCC[C@@H](CO)C3)c2c1C OC[C@@H]1CCCN(C1)[*:1] CCOC(=O)c1sc2nc(C[NH+](C)C)nc(c2c1C)[*:1]
CC(C)(C)c1ccc(C(=O)Oc2ccc([C@H]3N[C@@H](C(=O)[O-])CS3)cc2)cc1 O=C([O-])[*:1] CC(C)(C)c1ccc(cc1)C(=O)Oc1ccc(cc1)[C@H]1N[C@@H](CS1)[*:1]
CC(C)(C)c1ccc(C(=O)Oc2ccc([C@H]3N[C@@H](C(=O)[O-])CS3)cc2)cc1 CC(C)(C)[*:1] O=C(Oc1ccc(cc1)[C@H]1N[C@H](CS1)C(=O)[O-])c1ccc(cc1)[*:1]
CC(=O)c1sc2[nH+]c(C)c3c(c2c1N)CCCC3 CC(=O)[*:1] Cc1[nH+]c2sc(c(N)c2c2CCCCc12)[*:1]
Cc1ccc(NC(=O)c2ccc3c(c2)ncn3CCNC(=O)NC(C)C)cc1F CC(C)NC(=O)N[*:1] Cc1ccc(cc1F)NC(=O)c1ccc2c(c1)ncn2CC[*:1]
Cc1ccc(NC(=O)c2ccc3c(c2)ncn3CCNC(=O)NC(C)C)cc1F Cc1ccc(cc1F)[*:1] CC(C)NC(=O)NCCn1cnc2cc(ccc21)C(=O)N[*:1]
Cc1ccc(NC(=O)c2ccc3c(c2)ncn3CCNC(=O)NC(C)C)cc1F CC(C)NC(=O)NCC[*:1] Cc1ccc(cc1F)NC(=O)c1ccc2c(c1)ncn2[*:1]
Cc1ccc(NC(=O)c2ccc3c(c2)ncn3CCNC(=O)NC(C)C)cc1F CC(C)[*:1] Cc1ccc(cc1F)NC(=O)c1ccc2c(c1)ncn2CCNC(=O)N[*:1]
Cc1ccc(NC(=O)c2ccc3c(c2)ncn3CCNC(=O)NC(C)C)cc1F CC(C)NC(=O)NC[*:1] Cc1ccc(cc1F)NC(=O)c1ccc2c(c1)ncn2C[*:1]
COc1ccc(OC)c(N2CCN(CC(=O)NCc3c(F)cccc3F)C2=O)c1 Fc1cccc(F)c1C[*:1] COc1ccc(OC)c(c1)N1CCN(CC(=O)N[*:1])C1=O
COc1ccc(OC)c(N2CCN(CC(=O)NCc3c(F)cccc3F)C2=O)c1 Fc1cccc(F)c1[*:1] COc1ccc(OC)c(c1)N1CCN(CC(=O)NC[*:1])C1=O
CCOc1cc2c(cc1OCC)CN(C(=O)N[C@@H]1CC=CCC1)CC2 CCO[*:1] CCOc1cc2CN(CCc2cc1[*:1])C(=O)N[C@@H]1CC=CCC1
CCOc1cc2c(cc1OCC)CN(C(=O)N[C@@H]1CC=CCC1)CC2 CCO[*:1] CCOc1cc2CCN(Cc2cc1[*:1])C(=O)N[C@@H]1CC=CCC1
O=C([O-])CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 O=C([O-])C[*:1] O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)[*:1]
O=C([O-])CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C([O-])CN(Cc1ccccc1Cl)S(=O)(=O)[*:1]
O=C([O-])CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 O=C([O-])[*:1] O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)C[*:1]
O=C([O-])CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 Clc1ccccc1[*:1] O=C([O-])CN(C[*:1])S(=O)(=O)c1ccc(Cl)cc1
O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 Clc1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N1CCC[C@@H](C1)[NH+]1CCCC1
Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N4CCCC4)c(C)c32)c1C O=C(N1CCCC1)[*:1] Cc1oc2c(c(C)cc3oc(=O)c(C[*:1])c(C)c32)c1C
Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N4CCCC4)c(C)c32)c1C O=C(C[*:1])N1CCCC1 Cc1oc2c(c(C)cc3oc(=O)c(c(C)c32)[*:1])c1C
COC(=O)CCNC(=O)[C@@H](c1cnn(C)c1)N1CCOCC1 COC(=O)C[*:1] Cn1cc(cn1)[C@H](C(=O)NC[*:1])N1CCOCC1
COC(=O)CCNC(=O)[C@@H](c1cnn(C)c1)N1CCOCC1 Cn1cc(cn1)[*:1] COC(=O)CCNC(=O)[C@@H](N1CCOCC1)[*:1]
COC(=O)CCNC(=O)[C@@H](c1cnn(C)c1)N1CCOCC1 COC(=O)[*:1] Cn1cc(cn1)[C@H](C(=O)NCC[*:1])N1CCOCC1
COC(=O)CCNC(=O)[C@@H](c1cnn(C)c1)N1CCOCC1 C1CN(CCO1)[*:1] COC(=O)CCNC(=O)[C@@H](c1cnn(C)c1)[*:1]
COC(=O)CCNC(=O)[C@@H](c1cnn(C)c1)N1CCOCC1 COC(=O)CC[*:1] Cn1cc(cn1)[C@H](C(=O)N[*:1])N1CCOCC1
Cc1ccc(-c2nc(NC(=O)c3ccncc3Cl)sc2C)s1 Cc1ccc(s1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1ccncc1Cl
Cc1ccc(-c2nc(NC(=O)c3ccncc3Cl)sc2C)s1 Clc1cnccc1[*:1] Cc1ccc(s1)-c1nc(NC(=O)[*:1])sc1C
C[C@@H](CS(C)(=O)=O)N(C)Cc1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CS(C)(=O)=O)N(C)Cc1nnnn1[*:1]
C[C@@H](CS(C)(=O)=O)N(C)Cc1nnnn1-c1ccccc1 CS(=O)(=O)[*:1] C[C@@H](C[*:1])N(C)Cc1nnnn1-c1ccccc1
C[C@@H](CS(C)(=O)=O)N(C)Cc1nnnn1-c1ccccc1 CS(=O)(=O)C[*:1] C[C@@H](N(C)Cc1nnnn1-c1ccccc1)[*:1]
Cc1cc(=O)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c[nH]1 c1ccc(cc1)CO[*:1] Cc1cc(=O)c(c[nH]1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(=O)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c[nH]1 Cc1cc(=O)c(c[nH]1)[*:1] O=C(Nc1ccc(cc1)OCc1ccccc1)[*:1]
Cc1cc(=O)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c[nH]1 c1ccc(cc1)[*:1] Cc1cc(=O)c(c[nH]1)C(=O)Nc1ccc(cc1)OC[*:1]
Cc1cc(=O)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c[nH]1 c1ccc(cc1)C[*:1] Cc1cc(=O)c(c[nH]1)C(=O)Nc1ccc(cc1)O[*:1]
CC1CCN(C(=O)Cn2cc(-c3ccccc3)cn2)CC1 c1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)Cn1cc(cn1)[*:1]
CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@H]1CCC(=O)NC1 CC(C)(C)[*:1] O=C1CC[C@@H](CN1)C(=O)N1CCc2cc(ccc21)[*:1]
C[NH+](C)CC(=O)OCC[N+](C)(C)C C[N+](C)(C)[*:1] C[NH+](C)CC(=O)OCC[*:1]
COC[C@H]1CCCN(c2ccc(-c3nc(C)c(C)c(=O)[nH]3)c[nH+]2)C1 COC[*:1] Cc1nc([nH]c(=O)c1C)-c1ccc([nH+]c1)N1CCC[C@@H](C1)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(Cl)cc2F)C1=O c1ccc(cc1)[*:1] CC[C@]1(NC(=O)N(NC(=O)c2ccc(Cl)cc2F)C1=O)[*:1]
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(Cl)cc2F)C1=O Fc1cc(Cl)ccc1[*:1] CC[C@]1(NC(=O)N(NC(=O)[*:1])C1=O)c1ccccc1
CC[C@H](NC(=O)c1ccc(C)c(NC(C)=O)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](NC(=O)c1ccc(C)c(c1)NC(C)=O)[*:1]
CC[C@H](NC(=O)c1ccc(C)c(NC(C)=O)c1)c1ccc(Cl)cc1 CC(=O)N[*:1] CC[C@H](NC(=O)c1ccc(C)c(c1)[*:1])c1ccc(Cl)cc1
C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@@H]([NH2+]CC1(CC1)[C@@H](O)[*:1])c1ccc(F)cc1
C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]([NH2+]CC1(CC1)[C@@H](O)c1ccccc1)[*:1]
CCOc1cncc(NCc2nncn2-c2ccccc2)n1 c1ccc(cc1)[*:1] CCOc1cncc(n1)NCc1nncn1[*:1]
CCOc1cncc(NCc2nncn2-c2ccccc2)n1 CCO[*:1] c1ccc(cc1)-n1cnnc1CNc1cncc(n1)[*:1]
COc1ccc(CNC(=O)[C@@H]2CN(C(=O)C[NH+](C)C)Cc3cn(C)nc32)cc1 COc1ccc(cc1)[*:1] Cn1cc2CN(C[C@@H](C(=O)NC[*:1])c2n1)C(=O)C[NH+](C)C
COc1ccc(CNC(=O)[C@@H]2CN(C(=O)C[NH+](C)C)Cc3cn(C)nc32)cc1 COc1ccc(cc1)C[*:1] Cn1cc2CN(C[C@@H](C(=O)N[*:1])c2n1)C(=O)C[NH+](C)C
Cc1cccc(C)c1NC(=O)CNc1cccc(OC[C@@H]2CCCO2)c1 C1CO[C@@H](C1)CO[*:1] Cc1cccc(C)c1NC(=O)CNc1cccc(c1)[*:1]
Cc1cccc(C)c1NC(=O)CNc1cccc(OC[C@@H]2CCCO2)c1 Cc1cccc(C)c1[*:1] O=C(CNc1cccc(c1)OC[C@@H]1CCCO1)N[*:1]
CCOCC(=O)[C@H]1CCOC2(CCC2)C1 CCO[*:1] O=C(C[*:1])[C@H]1CCOC2(CCC2)C1
CCOCC(=O)[C@H]1CCOC2(CCC2)C1 CCOC[*:1] O=C([C@H]1CCOC2(CCC2)C1)[*:1]
Cc1c(CN(C)[C@@H](C)CC#N)c(=O)n(-c2ccccc2)n1C N#CC[*:1] Cc1c(CN(C)[C@@H](C)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(CN(C)[C@@H](C)CC#N)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(CN(C)[C@@H](C)CC#N)c(=O)n(n1C)[*:1]
CSc1ccccc1C(=O)NCCn1ncc2c(=O)n(Cc3ccc(C)cc3)cnc21 CSc1ccccc1[*:1] Cc1ccc(cc1)Cn1cnc2c(cnn2CCNC(=O)[*:1])c1=O
CSc1ccccc1C(=O)NCCn1ncc2c(=O)n(Cc3ccc(C)cc3)cnc21 Cc1ccc(cc1)C[*:1] CSc1ccccc1C(=O)NCCn1ncc2c(=O)n(cnc21)[*:1]
CSc1ccccc1C(=O)NCCn1ncc2c(=O)n(Cc3ccc(C)cc3)cnc21 Cc1ccc(cc1)[*:1] CSc1ccccc1C(=O)NCCn1ncc2c(=O)n(cnc21)C[*:1]
Fc1ccc([C@@H]2CN(CC3(CN4CCOCC4)CCCCC3)CCO2)cc1F C1CN(CCO1)C[*:1] Fc1ccc(cc1F)[C@@H]1CN(CCO1)CC1(CCCCC1)[*:1]
Fc1ccc([C@@H]2CN(CC3(CN4CCOCC4)CCCCC3)CCO2)cc1F Fc1ccc(cc1F)[*:1] C1CCC(CC1)(CN1CCOCC1)CN1CCO[C@@H](C1)[*:1]
Fc1ccc([C@@H]2CN(CC3(CN4CCOCC4)CCCCC3)CCO2)cc1F C1CN(CCO1)[*:1] Fc1ccc(cc1F)[C@@H]1CN(CCO1)CC1(CCCCC1)C[*:1]
O=C(COc1ccccc1F)NNC(=S)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(COc1ccccc1F)NNC(=S)N[*:1]
O=C(COc1ccccc1F)NNC(=S)Nc1ccc(F)cc1 Fc1ccccc1[*:1] O=C(CO[*:1])NNC(=S)Nc1ccc(F)cc1
C[C@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)c1cccc(-n2cccn2)c1 O[C@H](c1ccc(F)cc1)[*:1] C[C@H](NC(=O)NC[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)c1cccc(-n2cccn2)c1 Fc1ccc(cc1)[*:1] C[C@H](NC(=O)NC[C@H](O)[*:1])c1cccc(c1)-n1cccn1
C[C@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@H](NC(=O)NC[C@H](O)c1ccc(F)cc1)c1cccc(c1)[*:1]
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1n[nH]c(N)c1C#N N#Cc1c(n[nH]c1N)[*:1] N#C/C(=C\c1ccc(o1)-c1cccc(Cl)c1Cl)[*:1]
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1n[nH]c(N)c1C#N Clc1cccc(c1Cl)[*:1] N#C/C(=C\c1ccc(o1)[*:1])c1n[nH]c(N)c1C#N
Fc1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 Fc1ccccc1CS[*:1] c1ccc2c(c[nH]c2c1)-c1nnc(n1C[C@@H]1CCCO1)[*:1]
Fc1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 Fc1ccccc1C[*:1] c1ccc2c(c[nH]c2c1)-c1nnc(S[*:1])n1C[C@@H]1CCCO1
Fc1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 Fc1ccccc1[*:1] c1ccc2c(c[nH]c2c1)-c1nnc(SC[*:1])n1C[C@@H]1CCCO1
Fc1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 c1ccc2c(c[nH]c2c1)[*:1] Fc1ccccc1CSc1nnc(n1C[C@@H]1CCCO1)[*:1]
Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)cs2)c1 Cc1ccc(C)c(c1)[*:1] CN(c1ccc(F)cc1)S(=O)(=O)c1csc(c1)C(=O)N[*:1]
Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)cs2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)c1cc(cs1)S(=O)(=O)N(C)[*:1]
C[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)[C@H]2CCCC[C@H]12 NS(=O)(=O)[*:1] C[C@H]1CCN(C(=O)c2ccc(c(F)c2)[*:1])[C@H]2CCCC[C@H]12
O=C(c1ccc(F)cc1Br)N1CCO[C@H](c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(c1ccc(F)cc1Br)N1CCO[C@H](C1)[*:1]
CCO[C@@H](C)c1noc(CNC(=O)N2CCC[C@H]2c2ccc[nH]2)n1 CCO[C@@H](C)[*:1] O=C(NCc1nc(no1)[*:1])N1CCC[C@H]1c1ccc[nH]1
CCO[C@@H](C)c1noc(CNC(=O)N2CCC[C@H]2c2ccc[nH]2)n1 CCO[*:1] C[C@@H](c1noc(CNC(=O)N2CCC[C@H]2c2ccc[nH]2)n1)[*:1]
CCO[C@@H](C)c1noc(CNC(=O)N2CCC[C@H]2c2ccc[nH]2)n1 c1c[nH]c(c1)[*:1] CCO[C@@H](C)c1noc(CNC(=O)N2CCC[C@@H]2[*:1])n1
CSCC[C@@H](C)N(C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O CSCC[*:1] Cc1c(NC(=O)N(C)[C@H](C)[*:1])c(=O)n(-c2ccccc2)n1C
CSCC[C@@H](C)N(C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O CSC[*:1] Cc1c(NC(=O)N(C)[C@H](C)C[*:1])c(=O)n(-c2ccccc2)n1C
CSCC[C@@H](C)N(C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] CSCC[C@@H](C)N(C)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
Cn1ncc(NC(=O)Cn2ccc3cc(-c4ccc(F)cc4F)ccc32)n1 Cn1ncc(n1)NC(=O)[*:1] Fc1ccc(-c2ccc3c(ccn3C[*:1])c2)c(F)c1
Cn1ncc(NC(=O)Cn2ccc3cc(-c4ccc(F)cc4F)ccc32)n1 Fc1ccc(c(F)c1)[*:1] Cn1ncc(n1)NC(=O)Cn1ccc2cc(ccc21)[*:1]
Cn1ncc(NC(=O)Cn2ccc3cc(-c4ccc(F)cc4F)ccc32)n1 Cn1ncc(n1)[*:1] O=C(Cn1ccc2cc(ccc21)-c1ccc(F)cc1F)N[*:1]
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)cc2Cl)cc1 O=[N+]([O-])[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccc(F)cc1Cl
Cn1cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c(C(C)(C)C)n1 C1CN(CCO1)[*:1] Cn1cc(C[NH2+]CC2(CCCCC2)[*:1])c(n1)C(C)(C)C
Cn1cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(C[NH2+]CC2(CCCCC2)N2CCOCC2)c(n1)[*:1]
CCC[NH2+][C@@H](C1CCCCC1)[C@@H]1CCCc2cccnc21 CCC[*:1] c1cnc2c(c1)CCC[C@H]2[C@@H]([NH2+][*:1])C1CCCCC1
CCC[NH2+][C@@H](C1CCCCC1)[C@@H]1CCCc2cccnc21 C1CCC(CC1)[*:1] CCC[NH2+][C@@H]([C@@H]1CCCc2cccnc21)[*:1]
CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccncc2)cc1 c1cc(ccn1)[*:1] CCC(=O)Nc1ccc(cc1)[C@@H](C)[NH2+]C[*:1]
CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccncc2)cc1 CCC(=O)N[*:1] C[C@@H]([NH2+]Cc1ccncc1)c1ccc(cc1)[*:1]
CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccncc2)cc1 c1cc(ccn1)C[*:1] CCC(=O)Nc1ccc(cc1)[C@@H](C)[NH2+][*:1]
CCOC(=O)c1ccc(CNc2cc(NC(C)=O)ccc2C)o1 CC(=O)N[*:1] CCOC(=O)c1ccc(CNc2cc(ccc2C)[*:1])o1
CCOC(=O)c1ccc(CNc2cc(NC(C)=O)ccc2C)o1 CCOC(=O)[*:1] CC(=O)Nc1ccc(C)c(c1)NCc1ccc(o1)[*:1]
CC(C)NC(=S)N(Cc1ccccc1)C[C@@H]1CCCO1 CC(C)[*:1] S=C(N[*:1])N(Cc1ccccc1)C[C@@H]1CCCO1
CC(C)NC(=S)N(Cc1ccccc1)C[C@@H]1CCCO1 c1ccc(cc1)[*:1] CC(C)NC(=S)N(C[C@@H]1CCCO1)C[*:1]
CC(C)NC(=S)N(Cc1ccccc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] CC(C)NC(=S)N(Cc1ccccc1)[*:1]
CC(C)NC(=S)N(Cc1ccccc1)C[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC(C)NC(=S)N(Cc1ccccc1)C[*:1]
CCCC(=O)NC(=S)Nc1ccc(Cl)cn1 CCC[*:1] O=C(NC(=S)Nc1ccc(Cl)cn1)[*:1]
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NCCC CCC[*:1] C#CCN(CC(=O)[O-])[C@H](C)C(=O)N[*:1]
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NCCC O=C([O-])C[*:1] C#CCN([C@H](C)C(=O)NCCC)[*:1]
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NCCC O=C([O-])[*:1] C#CCN(C[*:1])[C@H](C)C(=O)NCCC
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NCCC C#CC[*:1] CCCNC(=O)[C@@H](C)N(CC(=O)[O-])[*:1]
C[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCS(=O)CC1 N#CC[*:1] C[NH+](Cc1cn(C[*:1])nc1-c1ccccc1)C1CCS(=O)CC1
C[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCS(=O)CC1 N#CCC[*:1] C[NH+](Cc1cn(nc1-c1ccccc1)[*:1])C1CCS(=O)CC1
C[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCS(=O)CC1 c1ccc(cc1)[*:1] C[NH+](Cc1cn(CCC#N)nc1[*:1])C1CCS(=O)CC1
CC(C)c1ccc(OCC(=O)N2CCCCC2)c(Br)c1 CC(C)[*:1] O=C(COc1ccc(cc1Br)[*:1])N1CCCCC1
COC(=O)c1c(C2CC2)csc1NC(=O)CC1CCC1 C1CC(C1)C[*:1] COC(=O)c1c(csc1NC(=O)[*:1])C1CC1
COC(=O)c1c(C2CC2)csc1NC(=O)CC1CCC1 COC(=O)[*:1] O=C(CC1CCC1)Nc1scc(c1[*:1])C1CC1
COC(=O)c1c(C2CC2)csc1NC(=O)CC1CCC1 C1CC1[*:1] COC(=O)c1c(csc1NC(=O)CC1CCC1)[*:1]
COC(=O)c1c(C2CC2)csc1NC(=O)CC1CCC1 C1CC(C1)[*:1] COC(=O)c1c(csc1NC(=O)C[*:1])C1CC1
Cc1nn(S(=O)(=O)C(F)(F)F)c(C)c1CS(=O)(=O)c1ccccc1 FC(F)(F)[*:1] Cc1nn(c(C)c1CS(=O)(=O)c1ccccc1)S(=O)(=O)[*:1]
Cc1nn(S(=O)(=O)C(F)(F)F)c(C)c1CS(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CS(=O)(=O)[*:1])S(=O)(=O)C(F)(F)F
C[C@@H]1CCc2ccccc2N1C(=O)OCC(F)(F)F FC(F)(F)[*:1] C[C@@H]1CCc2ccccc2N1C(=O)OC[*:1]
C[C@@H]1CCc2ccccc2N1C(=O)OCC(F)(F)F FC(F)(F)C[*:1] C[C@@H]1CCc2ccccc2N1C(=O)O[*:1]
COC(=O)c1sccc1NC(=O)CSc1ccc(N)cc1 COC(=O)[*:1] Nc1ccc(cc1)SCC(=O)Nc1ccsc1[*:1]
COC(=O)c1sccc1NC(=O)CSc1ccc(N)cc1 Nc1ccc(cc1)[*:1] COC(=O)c1sccc1NC(=O)CS[*:1]
CCC[C@@H](C)/C([O-])=N/S(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C)/C([O-])=N/S(=O)(=O)C[*:1]
CCC[C@@H](C)/C([O-])=N/S(=O)(=O)Cc1ccccc1 CCC[*:1] C[C@@H](/C([O-])=N/S(=O)(=O)Cc1ccccc1)[*:1]
CC[C@@H](C)N(C)C(=O)Nc1ccccc1C CC[C@@H](C)[*:1] Cc1ccccc1NC(=O)N(C)[*:1]
O=C(Nc1nc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cs1)c1ccc(=O)[nH]c1 O=c1ccc(c[nH]1)[*:1] O=C(Cc1csc(n1)NC(=O)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
O=C(Nc1nc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cs1)c1ccc(=O)[nH]c1 O=C(N[*:1])c1ccc(=O)[nH]c1 O=C(Cc1csc(n1)[*:1])N1CCN(CC1)c1ccc(Cl)cc1
O=C(Nc1nc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cs1)c1ccc(=O)[nH]c1 Clc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)CC(=O)N1CCN(CC1)[*:1])c1ccc(=O)[nH]c1
CO[C@@H](CNC(=O)N1CCC[C@H](CCO)C1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@@H](CNC(=O)N1CCC[C@H](CCO)C1)[*:1]
CO[C@@H](CNC(=O)N1CCC[C@H](CCO)C1)c1cccc(Cl)c1 OCC[*:1] CO[C@@H](CNC(=O)N1CCC[C@H](C1)[*:1])c1cccc(Cl)c1
C[C@H](CNC(=O)Cn1cnc2ccc(F)cc2c1=O)Cn1cccn1 c1cnn(c1)[*:1] C[C@H](CNC(=O)Cn1cnc2ccc(F)cc2c1=O)C[*:1]
C[C@H](CNC(=O)Cn1cnc2ccc(F)cc2c1=O)Cn1cccn1 c1cnn(c1)C[*:1] C[C@H](CNC(=O)Cn1cnc2ccc(F)cc2c1=O)[*:1]
COc1ccc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)NC(=O)Cn1cnc2ccc(cc2c1=O)[*:1]
COc1ccc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1 COc1ccc(cc1)[*:1] O=C(Cn1cnc2ccc(cc2c1=O)[N+](=O)[O-])N[*:1]
C=CCn1c(SCc2nc3ccccc3s2)nc2ccccc2c1=O C=CC[*:1] O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1[*:1]
C[C@@H](NC(=O)Nc1cccnc1)c1cccc(NC(=O)c2ccccc2)c1 c1cncc(c1)[*:1] C[C@@H](NC(=O)N[*:1])c1cccc(c1)NC(=O)c1ccccc1
C[C@@H](NC(=O)Nc1cccnc1)c1cccc(NC(=O)c2ccccc2)c1 O=C(N[*:1])c1ccccc1 C[C@@H](NC(=O)Nc1cccnc1)c1cccc(c1)[*:1]
C[C@@H](NC(=O)Nc1cccnc1)c1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1cccnc1)c1cccc(c1)NC(=O)[*:1]
CCOC(=O)[C@@H](CC)Sc1nnc2sc3ccccc3n12 CCOC(=O)[*:1] CC[C@@H](Sc1nnc2sc3ccccc3n12)[*:1]
Cc1cc(-c2cnc(C)nc2C2CCC(CNC(=O)Cc3ccccc3F)CC2)on1 Fc1ccccc1C[*:1] Cc1cc(on1)-c1cnc(C)nc1C1CCC(CC1)CNC(=O)[*:1]
Cc1cc(-c2cnc(C)nc2C2CCC(CNC(=O)Cc3ccccc3F)CC2)on1 Cc1cc(on1)[*:1] Cc1ncc(c(n1)C1CCC(CC1)CNC(=O)Cc1ccccc1F)[*:1]
Cc1cc(-c2cnc(C)nc2C2CCC(CNC(=O)Cc3ccccc3F)CC2)on1 Fc1ccccc1[*:1] Cc1cc(on1)-c1cnc(C)nc1C1CCC(CC1)CNC(=O)C[*:1]
CN(C)C(=O)COc1ccc(NC(=O)c2cn3cccnc3n2)cc1 CN(C)C(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])c1cn2cccnc2n1
CN(C)C(=O)COc1ccc(NC(=O)c2cn3cccnc3n2)cc1 CN(C)C(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])c1cn2cccnc2n1
CN(C)C(=O)COc1ccc(NC(=O)c2cn3cccnc3n2)cc1 CN(C)C(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cn2cccnc2n1
Nc1c(Br)c(=O)n(CC(=O)Nc2cccc(Cl)c2)c(=O)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Nc1c(Br)c(=O)n(CC(=O)Nc2cccc(Cl)c2)c(=O)n1[*:1]
Nc1c(Br)c(=O)n(CC(=O)Nc2cccc(Cl)c2)c(=O)n1Cc1ccccc1 c1ccc(cc1)[*:1] Nc1c(Br)c(=O)n(CC(=O)Nc2cccc(Cl)c2)c(=O)n1C[*:1]
Nc1c(Br)c(=O)n(CC(=O)Nc2cccc(Cl)c2)c(=O)n1Cc1ccccc1 Clc1cccc(c1)[*:1] Nc1c(Br)c(=O)n(CC(=O)N[*:1])c(=O)n1Cc1ccccc1
CCC(=O)N1CCCc2cc(NC(=O)Nc3cc(C)cc(C)c3)ccc21 Cc1cc(C)cc(c1)[*:1] CCC(=O)N1CCCc2cc(ccc21)NC(=O)N[*:1]
CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccccc1C c1cc(ccn1)[*:1] CCc1c(n[nH]c1NC(=O)c1ccccc1C)[*:1]
CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccccc1C Cc1ccccc1[*:1] CCc1c(n[nH]c1NC(=O)[*:1])-c1ccncc1
COc1ccc(C(=O)NC(=S)Nc2cccc(C)c2C)cc1OC Cc1cccc(c1C)[*:1] COc1ccc(cc1OC)C(=O)NC(=S)N[*:1]
C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 C1CCC(CC1)[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(c1)CS(=O)(=O)[*:1]
Cc1occc1C(=O)Nc1ccnc2ccc(F)cc12 Cc1occc1[*:1] O=C(Nc1ccnc2ccc(F)cc12)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)[C@H](c2ccccc2)C(C)C)c1 CNC(=O)[*:1] CC(C)[C@H](C(=O)Nc1cc(ccc1Cl)[*:1])c1ccccc1
CNC(=O)c1ccc(Cl)c(NC(=O)[C@H](c2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)[C@H](C(C)C)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)[C@H](c2ccccc2)C(C)C)c1 CC(C)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)[C@H](c1ccccc1)[*:1]
Cc1cccc(OCCNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 Cc1cccc(c1)O[*:1] O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCC[*:1]
Cc1cccc(OCCNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 Cc1cccc(c1)[*:1] O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCO[*:1]
CN(CC#N)[C@H](C(N)=O)c1cccc(F)c1 N#CC[*:1] CN([C@H](C(N)=O)c1cccc(F)c1)[*:1]
CN(CC#N)[C@H](C(N)=O)c1cccc(F)c1 CN(CC#N)[*:1] NC(=O)[C@H](c1cccc(F)c1)[*:1]
CN(CC#N)[C@H](C(N)=O)c1cccc(F)c1 NC(=O)[*:1] CN(CC#N)[C@H](c1cccc(F)c1)[*:1]
C[C@H]1CN(C2CCN(C(=O)COc3ccc(C#N)cc3)CC2)CCO1 N#Cc1ccc(cc1)[*:1] C[C@H]1CN(CCO1)C1CCN(CC1)C(=O)CO[*:1]
Cc1sc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1sc(CNC(=O)N2CCC[C@H](C2)C(F)(F)F)nc1[*:1]
Cc1sc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)nc1-c1ccc(Cl)cc1 FC(F)(F)[*:1] Cc1sc(CNC(=O)N2CCC[C@@H](C2)[*:1])nc1-c1ccc(Cl)cc1
CO[C@H](CN[C@@H](C)c1cnn(-c2ccccn2)c1C)c1ccccc1Cl c1ccc(nc1)[*:1] CO[C@H](CN[C@@H](C)c1cnn(c1C)[*:1])c1ccccc1Cl
CO[C@H](CN[C@@H](C)c1cnn(-c2ccccn2)c1C)c1ccccc1Cl Clc1ccccc1[*:1] CO[C@H](CN[C@@H](C)c1cnn(-c2ccccn2)c1C)[*:1]
Cc1nnnn1/C(=C\c1ccccc1)C(=O)Nc1cnc2ccccc2c1 c1ccc(cc1)[*:1] Cc1nnnn1C(=C[*:1])C(=O)Nc1cnc2ccccc2c1
Cc1nnnn1/C(=C\c1ccccc1)C(=O)Nc1cnc2ccccc2c1 Cc1nnnn1[*:1] O=C(Nc1cnc2ccccc2c1)C(=Cc1ccccc1)[*:1]
CCC[NH+]1CCCN(C(=O)NCCc2ccccc2F)CC1 CCC[*:1] O=C(NCCc1ccccc1F)N1CCC[NH+](CC1)[*:1]
CCC[NH+]1CCCN(C(=O)NCCc2ccccc2F)CC1 Fc1ccccc1[*:1] CCC[NH+]1CCCN(CC1)C(=O)NCC[*:1]
CN(Cc1cnn(C)c1)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O Cn1cc(cn1)C[*:1] CN(C(=O)CCN1C(=O)NC2(CCCCC2)C1=O)[*:1]
CN(Cc1cnn(C)c1)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)CCN1C(=O)NC2(CCCCC2)C1=O
CC(=O)c1ccc(O[C@@H](C)C(=O)NCCc2ccc3c(c2)OCO3)cc1 CC(=O)[*:1] C[C@H](Oc1ccc(cc1)[*:1])C(=O)NCCc1ccc2OCOc2c1
CCOc1ccccc1CNC(=O)[C@H]1Cc2ccccc2S1 CCO[*:1] O=C(NCc1ccccc1[*:1])[C@H]1Cc2ccccc2S1
CNC(=O)NCC(=O)NCC1CCCCCCC1 CNC(=O)N[*:1] O=C(C[*:1])NCC1CCCCCCC1
CNC(=O)NCC(=O)NCC1CCCCCCC1 CNC(=O)NC[*:1] O=C(NCC1CCCCCCC1)[*:1]
COc1cc(NC(=O)COc2ccc(Br)cc2)ccc1NC(=O)C(C)C Brc1ccc(cc1)[*:1] COc1cc(ccc1NC(=O)C(C)C)NC(=O)CO[*:1]
COc1cc(NC(=O)COc2ccc(Br)cc2)ccc1NC(=O)C(C)C CC(C)C(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)COc1ccc(Br)cc1
COc1cc(NC(=O)COc2ccc(Br)cc2)ccc1NC(=O)C(C)C Brc1ccc(cc1)O[*:1] COc1cc(ccc1NC(=O)C(C)C)NC(=O)C[*:1]
COc1cc(NC(=O)COc2ccc(Br)cc2)ccc1NC(=O)C(C)C CC(C)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)COc1ccc(Br)cc1
Cc1nc2c(s1)[C@@H](N[C@@H]1CCN(c3ccccc3Cl)C1=O)CCC2 Clc1ccccc1[*:1] Cc1nc2CCC[C@H](N[C@@H]3CCN(C3=O)[*:1])c2s1
NC(=S)c1c(F)cccc1-n1cnc2ccccc21 NC(=S)[*:1] Fc1cccc(c1[*:1])-n1cnc2ccccc21
CCOC(=O)C1CCN(C(=O)N[C@H]2CCC[C@@H]([S@@](=O)CC)C2)CC1 CCOC(=O)[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N1CCC(CC1)[*:1]
O=C(NCCN1CCN(c2ccccc2)CC1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(NCCN1CCN(CC1)c1ccccc1)N[C@H]1CC(=O)N(C1)[*:1]
O=C(NCCN1CCN(c2ccccc2)CC1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 c1ccc(cc1)[*:1] O=C(NCCN1CCN(CC1)[*:1])N[C@H]1CC(=O)N(C1)c1ccc(F)cc1
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)cc1 CC(=O)NS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccn(OCc2ccccc2F)c1=O
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)cc1 Fc1ccccc1[*:1] CC(=O)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cccn(OC[*:1])c1=O
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)cc1 Fc1ccccc1C[*:1] CC(=O)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cccn(O[*:1])c1=O
COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Br)cc4)c3N2)c1 Brc1ccc(cc1)[*:1] COc1cccc(c1)[C@H]1C[C@@H](n2ncc(C(=O)N[*:1])c2N1)C(F)(F)F
COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Br)cc4)c3N2)c1 FC(F)(F)[*:1] COc1cccc(c1)[C@H]1C[C@H](n2ncc(C(=O)Nc3ccc(Br)cc3)c2N1)[*:1]
COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Br)cc4)c3N2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccc(Br)cc1)c1cnn2c1N[C@H](C[C@@H]2C(F)(F)F)[*:1]
COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Br)cc4)c3N2)c1 O=C(Nc1ccc(Br)cc1)[*:1] COc1cccc(c1)[C@H]1C[C@@H](n2ncc(c2N1)[*:1])C(F)(F)F
CCC[NH+]1CCC(N(C)CCS(N)(=O)=O)CC1 NS(=O)(=O)C[*:1] CCC[NH+]1CCC(CC1)N(C)C[*:1]
CCC[NH+]1CCC(N(C)CCS(N)(=O)=O)CC1 NS(=O)(=O)[*:1] CCC[NH+]1CCC(CC1)N(C)CC[*:1]
CCC[NH+]1CCC(N(C)CCS(N)(=O)=O)CC1 CCC[*:1] CN(CCS(N)(=O)=O)C1CC[NH+](CC1)[*:1]
Cc1ccccc1C1(CNC(=O)c2occc2C)CCOCC1 Cc1ccccc1[*:1] Cc1ccoc1C(=O)NCC1(CCOCC1)[*:1]
Cc1ccccc1C1(CNC(=O)c2occc2C)CCOCC1 Cc1ccoc1[*:1] Cc1ccccc1C1(CCOCC1)CNC(=O)[*:1]
O=[N+]([O-])c1ccc([O-])c(/C=[NH+]/Cc2ccccc2)c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc([O-])c(/C=[NH+]/C[*:1])c1
O=[N+]([O-])c1ccc([O-])c(/C=[NH+]/Cc2ccccc2)c1 O=[N+]([O-])[*:1] [O-]c1ccc(cc1/C=[NH+]/Cc1ccccc1)[*:1]
NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 NS(=O)(=O)[*:1] NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 NC(=O)[*:1] NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)[*:1]
Nc1n[nH]c2nc([C@H]3CCCN3S(=O)(=O)Cc3ccc(F)cc3)cc(C(F)(F)F)c12 FC(F)(F)[*:1] Nc1n[nH]c2nc(cc(c12)[*:1])[C@H]1CCCN1S(=O)(=O)Cc1ccc(F)cc1
Nc1n[nH]c2nc([C@H]3CCCN3S(=O)(=O)Cc3ccc(F)cc3)cc(C(F)(F)F)c12 Fc1ccc(cc1)[*:1] Nc1n[nH]c2nc(cc(c12)C(F)(F)F)[C@H]1CCCN1S(=O)(=O)C[*:1]
Nc1n[nH]c2nc([C@H]3CCCN3S(=O)(=O)Cc3ccc(F)cc3)cc(C(F)(F)F)c12 Fc1ccc(cc1)C[*:1] Nc1n[nH]c2nc(cc(c12)C(F)(F)F)[C@H]1CCCN1S(=O)(=O)[*:1]
COC(=O)C1CCN(C(=O)[C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 COC(=O)[*:1] C[C@H](C(=O)N1CCC(CC1)[*:1])N1CC[NH+](C/C=C/c2ccccc2)CC1
COC(=O)C1CCN(C(=O)[C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 C(=C/c1ccccc1)\C[*:1] COC(=O)C1CCN(CC1)C(=O)[C@@H](C)N1CC[NH+](CC1)[*:1]
COC(=O)C1CCN(C(=O)[C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 C(=C[*:1])c1ccccc1 COC(=O)C1CCN(CC1)C(=O)[C@@H](C)N1CC[NH+](CC1)C[*:1]
COC(=O)C1CCN(C(=O)[C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 c1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)[C@@H](C)N1CC[NH+](CC=C[*:1])CC1
C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)ccc2[*:1])C1
Cc1ccc(SCC(=O)OCc2nnc(-c3cccc(C)c3)o2)cc1 Cc1ccc(cc1)[*:1] Cc1cccc(c1)-c1nnc(COC(=O)CS[*:1])o1
Cc1ccc(SCC(=O)OCc2nnc(-c3cccc(C)c3)o2)cc1 Cc1cccc(c1)[*:1] Cc1ccc(cc1)SCC(=O)OCc1nnc(o1)[*:1]
Cc1ccc(SCC(=O)OCc2nnc(-c3cccc(C)c3)o2)cc1 Cc1ccc(cc1)S[*:1] Cc1cccc(c1)-c1nnc(COC(=O)C[*:1])o1
CC(=O)Nc1cccc(C(=O)NNC(=O)Nc2ccc(C)cc2Cl)c1 Cc1ccc(c(Cl)c1)[*:1] CC(=O)Nc1cccc(c1)C(=O)NNC(=O)N[*:1]
CC(=O)Nc1cccc(C(=O)NNC(=O)Nc2ccc(C)cc2Cl)c1 CC(=O)N[*:1] Cc1ccc(NC(=O)NNC(=O)c2cccc(c2)[*:1])c(Cl)c1
Cc1ccc(N[C@H](C)C(=O)NC(N)=O)c(OCC(=O)N(C)C)c1 NC(=O)NC(=O)[*:1] Cc1ccc(N[C@H](C)[*:1])c(c1)OCC(=O)N(C)C
Cc1ccc(N[C@H](C)C(=O)NC(N)=O)c(OCC(=O)N(C)C)c1 CN(C)C(=O)C[*:1] Cc1ccc(N[C@H](C)C(=O)NC(N)=O)c(c1)O[*:1]
Cc1ccc(N[C@H](C)C(=O)NC(N)=O)c(OCC(=O)N(C)C)c1 CN(C)C(=O)CO[*:1] Cc1ccc(N[C@H](C)C(=O)NC(N)=O)c(c1)[*:1]
Cc1ccc(N[C@H](C)C(=O)NC(N)=O)c(OCC(=O)N(C)C)c1 CN(C)C(=O)[*:1] Cc1ccc(N[C@H](C)C(=O)NC(N)=O)c(c1)OC[*:1]
COC[C@H](C)n1c(C)cc(C(=O)CSc2ccc3ccccc3n2)c1C COC[*:1] Cc1cc(C(=O)CSc2ccc3ccccc3n2)c(C)n1[C@@H](C)[*:1]
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=C1CCCC1 Brc1ccc(cc1)[*:1] O=C(CN(Cc1ccccc1)S(=O)(=O)[*:1])NN=C1CCCC1
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=C1CCCC1 c1ccc(cc1)C[*:1] O=C(CN(S(=O)(=O)c1ccc(Br)cc1)[*:1])NN=C1CCCC1
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=C1CCCC1 c1ccc(cc1)[*:1] O=C(CN(C[*:1])S(=O)(=O)c1ccc(Br)cc1)NN=C1CCCC1
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=C1CCCC1 O=C(NN=C1CCCC1)[*:1] O=S(=O)(c1ccc(Br)cc1)N(Cc1ccccc1)C[*:1]
C[C@H](CS(C)(=O)=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] C[C@H](CS(C)(=O)=O)C(=O)NCC1(CCCCC1)C[*:1]
C[C@H](CS(C)(=O)=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)C[*:1] C[C@H](CS(C)(=O)=O)C(=O)NCC1(CCCCC1)[*:1]
C[C@H](CS(C)(=O)=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 CS(=O)(=O)[*:1] C[C@H](C[*:1])C(=O)NCC1(CCCCC1)CN1CCOCC1
C[C@H](CS(C)(=O)=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 CS(=O)(=O)C[*:1] C[C@H](C(=O)NCC1(CCCCC1)CN1CCOCC1)[*:1]
COc1ccc(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c(O)c1 O=c1ccc(n[nH]1)[*:1] COc1ccc(C(=O)Nc2cccc(c2)[*:1])c(O)c1
O=C(NCc1cccnc1)c1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] O=C(NCc1cccnc1)c1ccc(cc1)[*:1]
O=C(NCc1cccnc1)c1ccc(N2CCCS2(=O)=O)cc1 c1cncc(c1)[*:1] O=C(NC[*:1])c1ccc(cc1)N1CCCS1(=O)=O
O=C(NCc1cccnc1)c1ccc(N2CCCS2(=O)=O)cc1 c1cncc(c1)C[*:1] O=C(N[*:1])c1ccc(cc1)N1CCCS1(=O)=O
CC1(C)C(n2c(Cl)nnc2C2CC2)C1(C)C C1CC1[*:1] CC1(C)C(n2c(Cl)nnc2[*:1])C1(C)C
CC[C@H](C)NC(=S)NC1=CCS(=O)(=O)C1 CC[C@H](C)[*:1] O=S1(=O)CC=C(C1)NC(=S)N[*:1]
O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(Nc1cc(Cl)ccc1O)C1CCN(CC1)C(=O)N[*:1]
O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 Oc1ccc(Cl)cc1[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)Nc1ccc(F)cc1
CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C CC[C@@H](C)[*:1] Cc1cccc(C)c1N1/C(=N\C(=O)[*:1])S[C@H]2CS(=O)(=O)C[C@@H]21
CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C Cc1cccc(C)c1[*:1] CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CCCCN(CCCO)c1ncc(C)c(C)n1 CCCC[*:1] Cc1cnc(nc1C)N(CCCO)[*:1]
CCCCN(CCCO)c1ncc(C)c(C)n1 CCC[*:1] Cc1cnc(nc1C)N(CCCO)C[*:1]
CCCCN(CCCO)c1ncc(C)c(C)n1 OCC[*:1] CCCCN(C[*:1])c1ncc(C)c(C)n1
CCCCN(CCCO)c1ncc(C)c(C)n1 OCCC[*:1] CCCCN(c1ncc(C)c(C)n1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1C C[C@H]1CCCC[C@H]1[*:1] C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)N[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1C c1coc(c1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1nnc(n1C)[*:1]
O=C(Oc1ccc2nccnc2c1)c1ccc2nnc(C(F)F)n2c1 FC(F)[*:1] O=C(Oc1ccc2nccnc2c1)c1ccc2nnc(n2c1)[*:1]
CCOC(=O)c1c(Nc2nc3nonc3nc2N)sc2c1CCCC2 CCOC(=O)[*:1] Nc1nc2nonc2nc1Nc1sc2CCCCc2c1[*:1]
CCN(CC)C(=O)CCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 CCN(CC)C(=O)C[*:1] O=C(C[*:1])Nc1ccc2OC3(CCCCC3)Oc2c1
CCN(CC)C(=O)CCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 CCN(CC)C(=O)[*:1] O=C(CC[*:1])Nc1ccc2OC3(CCCCC3)Oc2c1
COc1ccc(-c2cnn3c(SCC(=O)N[C@@H]4CCCc5ccccc54)cc(C)nc23)cc1 COc1ccc(cc1)[*:1] Cc1cc(SCC(=O)N[C@@H]2CCCc3ccccc32)n2ncc(c2n1)[*:1]
CN(C)c1ccc(F)cc1C=O CN(C)[*:1] O=Cc1cc(F)ccc1[*:1]
[NH3+][C@H](CC[S@@](=O)[O-])C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H](CC[S@@](=O)[O-])[*:1]
[NH3+][C@H](CC[S@@](=O)[O-])C(=O)[O-] O=[S@@]([O-])[*:1] [NH3+][C@H](CC[*:1])C(=O)[O-]
Cc1cc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)o2)c(C)o1 Cc1cc(c(C)o1)[*:1] Cc1ccc(cc1C)C(=O)Nc1nnc(o1)[*:1]
C[NH+](C)[C@@H]1CO[C@H](CNC(=O)c2cccs2)[C@H]1O c1csc(c1)[*:1] C[NH+](C)[C@@H]1CO[C@H](CNC(=O)[*:1])[C@H]1O
COc1ccc2ccn(Cc3ccc(Cl)nc3)c(=O)c2c1 Clc1ccc(cn1)[*:1] COc1ccc2ccn(C[*:1])c(=O)c2c1
CC(C)(NCC(=O)NCC(=O)N1CCCC1)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] CC(C)(NCC(=O)NCC(=O)N1CCCC1)[*:1]
CC(C)(NCC(=O)NCC(=O)N1CCCC1)c1ccc(F)cc1Cl O=C(N1CCCC1)[*:1] CC(C)(NCC(=O)NC[*:1])c1ccc(F)cc1Cl
CC(C)(NCC(=O)NCC(=O)N1CCCC1)c1ccc(F)cc1Cl O=C(C[*:1])N1CCCC1 CC(C)(NCC(=O)N[*:1])c1ccc(F)cc1Cl
C[S@](=O)c1ccc(CNC(=O)N2CCC(=Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)N1CCC(=C[*:1])CC1
CO[C@@H]1CC[C@H]2OCCN(Cc3cnc(CC(C)C)s3)[C@H]2C1 CC(C)C[*:1] CO[C@@H]1CC[C@H]2OCCN(Cc3cnc(s3)[*:1])[C@H]2C1
CO[C@@H]1CC[C@H]2OCCN(Cc3cnc(CC(C)C)s3)[C@H]2C1 CC(C)[*:1] CO[C@@H]1CC[C@H]2OCCN(Cc3cnc(C[*:1])s3)[C@H]2C1
CCCC(=CC(=O)Nc1ccccc1C#N)CCC CCC[*:1] CCCC(=CC(=O)Nc1ccccc1C#N)[*:1]
CN(C)C(=O)c1cccnc1SCc1cccc(Br)c1 CN(C)C(=O)[*:1] Brc1cccc(c1)CSc1ncccc1[*:1]
Cc1n[nH]c(-c2cccc(CNc3nc(N(C)C)cc[nH+]3)c2)n1 Cc1n[nH]c(n1)[*:1] CN(C)c1cc[nH+]c(n1)NCc1cccc(c1)[*:1]
Cc1n[nH]c(-c2cccc(CNc3nc(N(C)C)cc[nH+]3)c2)n1 CN(C)[*:1] Cc1n[nH]c(n1)-c1cccc(c1)CNc1nc(cc[nH+]1)[*:1]
CCn1c(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)nnc1-c1ccco1 c1coc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)N[C@H](C)c1ccc2ccccc2c1
Cn1cc(C(=O)[C@H]2CCO[C@@]3(CCOC3)C2)cn1 Cn1cc(cn1)[*:1] O=C([C@H]1CCO[C@@]2(CCOC2)C1)[*:1]
N#C[C@@]1(C(N)=O)[C@@H](c2cccnc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccc(F)cc3C=C[C@@H]21 NC(=O)[*:1] N#C[C@]1([C@@H](c2cccnc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccc(F)cc3C=C[C@@H]21)[*:1]
N#C[C@@]1(C(N)=O)[C@@H](c2cccnc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccc(F)cc3C=C[C@@H]21 Clc1ccc(cc1)[*:1] N#C[C@@]1(C(N)=O)[C@@H](c2cccnc2)[C@H](C(=O)[*:1])N2c3ccc(F)cc3C=C[C@@H]21
N#C[C@@]1(C(N)=O)[C@@H](c2cccnc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccc(F)cc3C=C[C@@H]21 c1cncc(c1)[*:1] N#C[C@]1(C(N)=O)[C@H]2C=Cc3cc(F)ccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1[*:1]
N#C[C@@]1(C(N)=O)[C@@H](c2cccnc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccc(F)cc3C=C[C@@H]21 O=C(c1ccc(Cl)cc1)[*:1] N#C[C@@]1(C(N)=O)[C@@H](c2cccnc2)[C@H](N2c3ccc(F)cc3C=C[C@@H]21)[*:1]
CC(C)[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccc(C(C)(C)C)cc1 Nc1nnc(s1)[*:1] CC(C)[C@@H](S[*:1])C(=O)Nc1ccc(cc1)C(C)(C)C
CC(C)[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccc(C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)NC(=O)[C@H](Sc1nnc(N)s1)[*:1]
CC(C)[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccc(C(C)(C)C)cc1 Nc1nnc(S[*:1])s1 CC(C)[C@@H](C(=O)Nc1ccc(cc1)C(C)(C)C)[*:1]
Cc1cc(=O)n2nc(C)c(C(=O)[O-])c2[nH]1 O=C([O-])[*:1] Cc1cc(=O)n2nc(C)c(c2[nH]1)[*:1]
NC(=O)c1c[nH]c(C(=O)Nc2ccc(Cl)c(Br)c2)c1 NC(=O)[*:1] O=C(Nc1ccc(Cl)c(Br)c1)c1cc(c[nH]1)[*:1]
COc1ccc(-c2nc(NCCC3=c4cc(OC)ccc4=[NH+]C3)sc2C)cc1 COc1ccc(cc1)[*:1] COc1ccc2=[NH+]CC(CCNc3nc(c(C)s3)[*:1])=c2c1
CSCCOC(=O)[C@@H]1CCCN(C(N)=O)C1 CSCC[*:1] NC(=O)N1CCC[C@H](C1)C(=O)O[*:1]
CSCCOC(=O)[C@@H]1CCCN(C(N)=O)C1 CSC[*:1] NC(=O)N1CCC[C@H](C1)C(=O)OC[*:1]
Cc1cc(C)c(NC(=S)N(Cc2cccnc2)Cc2cccnc2)c(C)c1 c1cncc(c1)[*:1] Cc1cc(C)c(NC(=S)N(Cc2cccnc2)C[*:1])c(C)c1
Cc1cc(C)c(NC(=S)N(Cc2cccnc2)Cc2cccnc2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] S=C(N[*:1])N(Cc1cccnc1)Cc1cccnc1
Cc1cc(C)c(NC(=S)N(Cc2cccnc2)Cc2cccnc2)c(C)c1 c1cncc(c1)C[*:1] Cc1cc(C)c(NC(=S)N(Cc2cccnc2)[*:1])c(C)c1
C[NH2+][C@H](C)c1ccn(CCS(C)(=O)=O)c1 CS(=O)(=O)C[*:1] C[NH2+][C@H](C)c1ccn(c1)C[*:1]
C[NH2+][C@H](C)c1ccn(CCS(C)(=O)=O)c1 CS(=O)(=O)[*:1] C[NH2+][C@H](C)c1ccn(c1)CC[*:1]
C/[NH+]=C(/NCCc1ccccc1)NCc1[nH+]ccn1C c1ccc(cc1)[*:1] C/[NH+]=C(/NCC[*:1])NCc1[nH+]ccn1C
Cc1nn(C)cc1CNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 O=C([O-])[*:1] Cc1nn(C)cc1CNC(=O)[C@@H]1[C@@H]([C@H]2CC[C@@H]1C2)[*:1]
Cc1nn(C)cc1CNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 Cc1nn(C)cc1[*:1] O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC[*:1]
COC(C)(C)CNC(=O)NCC(C)(C)c1ccccc1 COC(C)(C)[*:1] CC(C)(CNC(=O)NC[*:1])c1ccccc1
COC(C)(C)CNC(=O)NCC(C)(C)c1ccccc1 c1ccc(cc1)[*:1] COC(C)(C)CNC(=O)NCC(C)(C)[*:1]
COC(C)(C)CNC(=O)NCC(C)(C)c1ccccc1 COC(C)(C)C[*:1] CC(C)(CNC(=O)N[*:1])c1ccccc1
COC[C@H](C)N1CCN(c2cccc(F)c2C(C)=O)CC1 CC(=O)[*:1] COC[C@H](C)N1CCN(CC1)c1cccc(F)c1[*:1]
COC[C@H](C)N1CCN(c2cccc(F)c2C(C)=O)CC1 COC[*:1] CC(=O)c1c(F)cccc1N1CCN(CC1)[C@@H](C)[*:1]
COC[C@H](C)N1CCN(c2cccc(F)c2C(C)=O)CC1 COC[C@H](C)[*:1] CC(=O)c1c(F)cccc1N1CCN(CC1)[*:1]
COc1cccc(OCc2cc(C(=O)N3CCC[C@H]3c3nccs3)no2)c1 COc1cccc(c1)[*:1] O=C(c1cc(CO[*:1])on1)N1CCC[C@H]1c1nccs1
COc1cccc(OCc2cc(C(=O)N3CCC[C@H]3c3nccs3)no2)c1 COc1cccc(c1)O[*:1] O=C(c1cc(C[*:1])on1)N1CCC[C@H]1c1nccs1
COc1cccc(OCc2cc(C(=O)N3CCC[C@H]3c3nccs3)no2)c1 c1csc(n1)[*:1] COc1cccc(c1)OCc1cc(no1)C(=O)N1CCC[C@@H]1[*:1]
O=C(c1ccn(CCOc2cccc(Br)c2)c1)C1CC1 O=C(C1CC1)[*:1] Brc1cccc(c1)OCCn1ccc(c1)[*:1]
O=C(c1ccn(CCOc2cccc(Br)c2)c1)C1CC1 C1CC1[*:1] O=C(c1ccn(c1)CCOc1cccc(Br)c1)[*:1]
COCCCNC(=O)N1CCC[C@@H]1c1cccc(Br)c1 COCCC[*:1] O=C(N[*:1])N1CCC[C@@H]1c1cccc(Br)c1
COCCCNC(=O)N1CCC[C@@H]1c1cccc(Br)c1 COCC[*:1] O=C(NC[*:1])N1CCC[C@@H]1c1cccc(Br)c1
COCCCNC(=O)N1CCC[C@@H]1c1cccc(Br)c1 COC[*:1] O=C(NCC[*:1])N1CCC[C@@H]1c1cccc(Br)c1
CCCCCCSc1nc2ncccn2n1 CCC[*:1] c1cnc2nc(nn2c1)SCCC[*:1]
CCCCCCSc1nc2ncccn2n1 CCCCC[*:1] c1cnc2nc(nn2c1)SC[*:1]
CCCCCCSc1nc2ncccn2n1 CCCC[*:1] c1cnc2nc(nn2c1)SCC[*:1]
O=C1CCCC[C@]2(CN(C(=O)c3ccc(CCO)s3)C[C@H]2c2cc(F)cc(F)c2)N1 OCC[*:1] O=C1CCCC[C@]2(CN(C[C@H]2c2cc(F)cc(F)c2)C(=O)c2ccc(s2)[*:1])N1
O=C1CCCC[C@]2(CN(C(=O)c3ccc(CCO)s3)C[C@H]2c2cc(F)cc(F)c2)N1 Fc1cc(F)cc(c1)[*:1] O=C1CCCC[C@]2(CN(C[C@@H]2[*:1])C(=O)c2ccc(CCO)s2)N1
O=C1CCCC[C@]2(CN(C(=O)c3ccc(CCO)s3)C[C@H]2c2cc(F)cc(F)c2)N1 OCCc1ccc(s1)[*:1] O=C1CCCC[C@]2(CN(C[C@H]2c2cc(F)cc(F)c2)C(=O)[*:1])N1
CC(C)CCC(=O)NNC(=O)NCC(F)(F)F FC(F)(F)C[*:1] CC(C)CCC(=O)NNC(=O)N[*:1]
CC(C)CCC(=O)NNC(=O)NCC(F)(F)F CC(C)C[*:1] O=C(C[*:1])NNC(=O)NCC(F)(F)F
CC(C)CCC(=O)NNC(=O)NCC(F)(F)F CC(C)CC[*:1] O=C(NCC(F)(F)F)NNC(=O)[*:1]
CC(C)CCC(=O)NNC(=O)NCC(F)(F)F CC(C)[*:1] O=C(CC[*:1])NNC(=O)NCC(F)(F)F
CC(C)CCC(=O)NNC(=O)NCC(F)(F)F FC(F)(F)[*:1] CC(C)CCC(=O)NNC(=O)NC[*:1]
O=C(NCCc1ccccn1)c1cc(-c2cccnc2)n2c1CSC2 c1cncc(c1)[*:1] O=C(NCCc1ccccn1)c1cc(n2CSCc12)[*:1]
O=C(NCCc1ccccn1)c1cc(-c2cccnc2)n2c1CSC2 c1ccc(C[*:1])nc1 O=C(NC[*:1])c1cc(-c2cccnc2)n2CSCc12
O=C(NCCc1ccccn1)c1cc(-c2cccnc2)n2c1CSC2 c1ccc(nc1)[*:1] O=C(NCC[*:1])c1cc(-c2cccnc2)n2CSCc12
O=C(NCCc1ccccn1)c1cc(-c2cccnc2)n2c1CSC2 c1ccc(CC[*:1])nc1 O=C(N[*:1])c1cc(-c2cccnc2)n2CSCc12
CCCOc1cccc(CNC(=O)[C@@H]2CCC(=O)N2)c1 CCCO[*:1] O=C1CC[C@H](N1)C(=O)NCc1cccc(c1)[*:1]
CCCOc1cccc(CNC(=O)[C@@H]2CCC(=O)N2)c1 CCC[*:1] O=C1CC[C@H](N1)C(=O)NCc1cccc(c1)O[*:1]
C=C(CC)C[C@H](O)C1([NH+]2CCCC2)CCCC1 C=C(CC)[*:1] O[C@@H](C[*:1])C1(CCCC1)[NH+]1CCCC1
C=C(CC)C[C@H](O)C1([NH+]2CCCC2)CCCC1 C=C(CC)C[*:1] O[C@H](C1(CCCC1)[NH+]1CCCC1)[*:1]
Cc1nc2cc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3n3cccn3)ccc2o1 c1cnn(c1)[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[*:1]
O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1nc(cs1)[*:1]
Cc1nc2cc(OCc3cc(C(=O)N4CCCO4)no3)ccc2s1 O=C(N1CCCO1)[*:1] Cc1nc2cc(ccc2s1)OCc1cc(no1)[*:1]
CCc1nc(C)nc(N2CCN(C(=O)c3cccc(OC)c3)CC2)c1Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCc1nc(C)nc(c1C[*:1])N1CCN(CC1)C(=O)c1cccc(c1)OC
CCc1nc(C)nc(N2CCN(C(=O)c3cccc(OC)c3)CC2)c1Cc1ccc(Cl)cc1 COc1cccc(c1)[*:1] CCc1nc(C)nc(c1Cc1ccc(Cl)cc1)N1CCN(CC1)C(=O)[*:1]
CCc1nc(C)nc(N2CCN(C(=O)c3cccc(OC)c3)CC2)c1Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CCc1nc(C)nc(c1[*:1])N1CCN(CC1)C(=O)c1cccc(c1)OC
O=C1C[C@@H]([NH+](C2CCCCC2)C2CCCCC2)C(=O)N1c1ccc(Cl)cc1 C1CCC(CC1)[*:1] O=C1C[C@H](C(=O)N1c1ccc(Cl)cc1)[NH+](C1CCCCC1)[*:1]
O=C1C[C@@H]([NH+](C2CCCCC2)C2CCCCC2)C(=O)N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N1[*:1])[NH+](C1CCCCC1)C1CCCCC1
Cc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)nc(C)c1CC(C)C C1CC1[*:1] Cc1nc(nc(C)c1CC(C)C)N[C@@H]1CC(=O)N(C1)[*:1]
Cc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)nc(C)c1CC(C)C CC(C)C[*:1] Cc1nc(nc(C)c1[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
Cc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)nc(C)c1CC(C)C CC(C)[*:1] Cc1nc(nc(C)c1C[*:1])N[C@@H]1CC(=O)N(C1)C1CC1
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCc3ccccc3CC2)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1CCC(=O)N1C[*:1])N1CCc2ccccc2CC1
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCc3ccccc3CC2)cc1 Cc1ccc(cc1)C[*:1] O=C([C@@H]1CCC(=O)N1[*:1])N1CCc2ccccc2CC1
CCN[C@]1(C(=O)OCC)CC[C@H]([NH+]2CCCCCCC2)C1 CCN[*:1] CCOC(=O)[C@@]1(CC[C@@H](C1)[NH+]1CCCCCCC1)[*:1]
CCN[C@]1(C(=O)OCC)CC[C@H]([NH+]2CCCCCCC2)C1 CCOC(=O)[*:1] CCN[C@@]1(CC[C@@H](C1)[NH+]1CCCCCCC1)[*:1]
CS(=O)(=O)N1CCC(NC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 CS(=O)(=O)N1CCC(CC1)[*:1] O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)N[*:1]
CS(=O)(=O)N1CCC(NC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 O=S(=O)(N1CCCCC1)[*:1] CS(=O)(=O)N1CCC(CC1)NC(=O)NCc1ccccc1[*:1]
CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1cccc(c1)[*:1]
CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 C1CO[C@@H](C1)[*:1] CCN(C[*:1])C(=O)N[C@H](C)c1cccc(c1)-n1cccn1
CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 C1CO[C@@H](C1)C[*:1] CCN(C(=O)N[C@H](C)c1cccc(c1)-n1cccn1)[*:1]
Cn1cc(CCC(=O)N(CC2CCC2)c2ccccc2)cn1 C1CC(C1)[*:1] Cn1cc(cn1)CCC(=O)N(C[*:1])c1ccccc1
Cn1cc(CCC(=O)N(CC2CCC2)c2ccccc2)cn1 Cn1cc(cn1)C[*:1] O=C(C[*:1])N(CC1CCC1)c1ccccc1
Cn1cc(CCC(=O)N(CC2CCC2)c2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)CCC(=O)N(CC1CCC1)[*:1]
Cn1cc(CCC(=O)N(CC2CCC2)c2ccccc2)cn1 C1CC(C1)C[*:1] Cn1cc(cn1)CCC(=O)N(c1ccccc1)[*:1]
Cn1cc(CCC(=O)N(CC2CCC2)c2ccccc2)cn1 Cn1cc(cn1)[*:1] O=C(CC[*:1])N(CC1CCC1)c1ccccc1
C[C@H](CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)[NH+](C)C Clc1ccc(cc1)[*:1] C[C@H](CSc1nc2ccccc2c(=O)n1[*:1])[NH+](C)C
O=C(c1cc2c(F)cccc2s1)N1CCN(c2ccccc2O)CC1 Oc1ccccc1[*:1] O=C(c1cc2c(F)cccc2s1)N1CCN(CC1)[*:1]
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cnc(C2CC2)s1 C1CC1[*:1] C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cnc(s1)[*:1]
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cnc(C2CC2)s1 C[C@H](S(C)(=O)=O)[*:1] C[C@@H](N(C)Cc1cnc(s1)C1CC1)[*:1]
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cnc(C2CC2)s1 CS(=O)(=O)[*:1] C[C@@H]([C@H](C)[*:1])N(C)Cc1cnc(s1)C1CC1
COc1ccc(C)c(NC(=O)Nc2cc(-c3ncco3)ccc2C)c1 c1coc(n1)[*:1] COc1ccc(C)c(c1)NC(=O)Nc1cc(ccc1C)[*:1]
O=C(CNC(=O)c1ccc(F)cc1F)NCCC(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(CNC(=O)c1ccc(F)cc1F)NCC[*:1]
O=C(CNC(=O)c1ccc(F)cc1F)NCCC(=O)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(CNC(=O)c1ccc(F)cc1F)NC[*:1]
O=C(CNC(=O)c1ccc(F)cc1F)NCCC(=O)N1CCCC1 Fc1ccc(c(F)c1)[*:1] O=C(CNC(=O)[*:1])NCCC(=O)N1CCCC1
CC(C)Cn1cc(NC(=O)C2CC2)cn1 CC(C)[*:1] O=C(Nc1cnn(c1)C[*:1])C1CC1
CC(C)Cn1cc(NC(=O)C2CC2)cn1 C1CC1[*:1] CC(C)Cn1cc(cn1)NC(=O)[*:1]
CC(C)Cn1cc(NC(=O)C2CC2)cn1 CC(C)C[*:1] O=C(Nc1cnn(c1)[*:1])C1CC1
C1C[C@H]([NH+]2CCN(C[C@@H]3CCOC3)CC2)C[C@H](C2CC2)C1 C1C[C@H](CO1)[*:1] C1C[C@@H](C[C@@H](C1)C1CC1)[NH+]1CCN(CC1)C[*:1]
C1C[C@H]([NH+]2CCN(C[C@@H]3CCOC3)CC2)C[C@H](C2CC2)C1 C1CC1[*:1] C1C[C@@H](C[C@H](C1)[*:1])[NH+]1CCN(CC1)C[C@@H]1CCOC1
C1C[C@H]([NH+]2CCN(C[C@@H]3CCOC3)CC2)C[C@H](C2CC2)C1 C1C[C@H](CO1)C[*:1] C1C[C@@H](C[C@@H](C1)C1CC1)[NH+]1CCN(CC1)[*:1]
C[C@H]1CN(C(=O)c2ccc(CNC(=O)Nc3ccccn3)cc2)C[C@H](C)O1 c1ccc(nc1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)c1ccc(cc1)CNC(=O)N[*:1]
O=S(=O)(NCCCn1ccnc1-c1ccccc1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(NCCCn1ccnc1-c1ccccc1)[*:1]
O=S(=O)(NCCCn1ccnc1-c1ccccc1)c1cccs1 c1ccc(cc1)[*:1] O=S(=O)(NCCCn1ccnc1[*:1])c1cccs1
CCc1nc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c[nH]1 Cn1cnn(c1=O)[*:1] CCc1nc(c[nH]1)C(=O)Nc1ccc(cc1)[*:1]
CCc1nc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c[nH]1 CCc1nc(c[nH]1)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)[*:1])c1=O
OC1(C#CCN2CCCC[C@@H]2c2cccnc2)CCCCCC1 c1cncc(c1)[*:1] OC1(C#CCN2CCCC[C@H]2[*:1])CCCCCC1
[NH3+][C@@H](CCc1cccc(O)c1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@@H](CCc1cccc(O)c1)[*:1]
C[C@H]1Sc2ccccc2N(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)[C@@H]1C O=S1(=O)CCN(CC1)C[*:1] C[C@H]1Sc2ccccc2N(C(=O)c2cccc(c2)[*:1])[C@@H]1C
C[C@H]1Sc2ccccc2N(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)[C@@H]1C O=S1(=O)CCN(CC1)[*:1] C[C@H]1Sc2ccccc2N(C(=O)c2cccc(c2)C[*:1])[C@@H]1C
CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OC CCC[*:1] COc1cc(ccc1OC[*:1])[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21
CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OC CCCCO[*:1] COc1cc(ccc1[*:1])[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21
CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OC CCCC[*:1] COc1cc(ccc1O[*:1])[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21
CCC[C@@H](O)c1ccn(CC(=O)Nc2cccc(Br)c2)c1 CCC[*:1] O=C(Cn1ccc(c1)[C@H](O)[*:1])Nc1cccc(Br)c1
CCC[C@@H](O)c1ccn(CC(=O)Nc2cccc(Br)c2)c1 Brc1cccc(c1)[*:1] CCC[C@@H](O)c1ccn(c1)CC(=O)N[*:1]
CCC[C@@H](O)c1ccn(CC(=O)Nc2cccc(Br)c2)c1 CCC[C@@H](O)[*:1] O=C(Cn1ccc(c1)[*:1])Nc1cccc(Br)c1
Cc1c(C(=O)NCc2nnc3n2CCC3)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NCc1nnc2CCCn21
O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1C[C@@H]1[*:1]
O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1C[C@H]1c1ccccc1 C1CN(CCO1)[*:1] O=C(NCc1ccc[nH+]c1[*:1])[C@@H]1C[C@H]1c1ccccc1
O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1ccc(I)cc1 c1coc(c1)C[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])Nc1ccc(I)cc1
O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1ccc(I)cc1 c1coc(c1)CN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])Nc1ccc(I)cc1
O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1ccc(I)cc1 c1coc(c1)[*:1] O=[N+]([O-])c1c(ncnc1Nc1ccc(I)cc1)NC[*:1]
O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1ccc(I)cc1 Ic1ccc(cc1)N[*:1] O=[N+]([O-])c1c(ncnc1[*:1])NCc1ccco1
O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1ccc(I)cc1 Ic1ccc(cc1)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NCc1ccco1
O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1ccc(I)cc1 O=[N+]([O-])[*:1] Ic1ccc(cc1)Nc1ncnc(NCc2ccco2)c1[*:1]
O=C(COc1ccccc1)Nc1cccc(-c2cnc3ccccc3n2)c1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1cccc(c1)-c1cnc2ccccc2n1
O=C(COc1ccccc1)Nc1cccc(-c2cnc3ccccc3n2)c1 c1ccc(cc1)OC[*:1] O=C(Nc1cccc(c1)-c1cnc2ccccc2n1)[*:1]
O=C(COc1ccccc1)Nc1cccc(-c2cnc3ccccc3n2)c1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1cccc(c1)-c1cnc2ccccc2n1
O=C(C[C@H](O)c1ccc(Cl)cc1)N(Cc1ccc(F)cc1F)C1CC1 Clc1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N(Cc1ccc(F)cc1F)C1CC1
O=C(C[C@H](O)c1ccc(Cl)cc1)N(Cc1ccc(F)cc1F)C1CC1 Fc1ccc(c(F)c1)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)N(C[*:1])C1CC1
O=C(C[C@H](O)c1ccc(Cl)cc1)N(Cc1ccc(F)cc1F)C1CC1 C1CC1[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)N(Cc1ccc(F)cc1F)[*:1]
CCOC(=O)c1c(Cl)nc2c(c1Cl)C(=O)CC(C)(C)C2 CCOC(=O)[*:1] CC1(C)CC(=O)c2c(C1)nc(Cl)c(c2Cl)[*:1]
CC[NH2+]Cc1cc(F)c(OCC=C(C)C)c(F)c1 CC(C)=C[*:1] CC[NH2+]Cc1cc(F)c(OC[*:1])c(F)c1
CC[NH2+]Cc1cc(F)c(OCC=C(C)C)c(F)c1 CC(C)=CCO[*:1] CC[NH2+]Cc1cc(F)c(c(F)c1)[*:1]
CC[NH2+]Cc1cc(F)c(OCC=C(C)C)c(F)c1 CC(C)=CC[*:1] CC[NH2+]Cc1cc(F)c(O[*:1])c(F)c1
Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1 Fc1ccccc1C[*:1] Cc1ccc(cc1)C(=O)CN1C(=O)S/C(=C\c2ccccc2O[*:1])C1=O
Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)C(=O)CN1C(=O)S/C(=C\c2ccccc2OC[*:1])C1=O
Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1 Fc1ccccc1CO[*:1] Cc1ccc(cc1)C(=O)CN1C(=O)S/C(=C\c2ccccc2[*:1])C1=O
Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C1S/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N1CC(=O)[*:1]
Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1 Cc1ccc(cc1)C(=O)[*:1] O=C1S/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N1C[*:1]
Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1 Cc1ccc(cc1)C(=O)C[*:1] O=C1S/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N1[*:1]
C=CCC[C@H](C)OC(=O)[C@H]1CCCN(C(=O)CC)C1 C=CCC[C@H](C)[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)O[*:1]
C=CCC[C@H](C)OC(=O)[C@H]1CCCN(C(=O)CC)C1 C=CCC[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)O[C@@H](C)[*:1]
C=CCC[C@H](C)OC(=O)[C@H]1CCCN(C(=O)CC)C1 C=CC[*:1] CCC(=O)N1CCC[C@@H](C1)C(=O)O[C@@H](C)C[*:1]
CCCn1ccc(/C=C/CO)c1 OCC=C[*:1] CCCn1ccc(c1)[*:1]
CCCn1ccc(/C=C/CO)c1 CCC[*:1] OC/C=C/c1ccn(c1)[*:1]
COC(=O)Nc1ccccc1C(=O)N1CC[C@@H](C)[C@@H](O)C1 COC(=O)N[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1ccccc1[*:1]
N#Cc1cc(NC(=O)C(=O)NCCCn2cnc3ccccc32)ccc1F c1ccc2c(c1)ncn2[*:1] N#Cc1cc(ccc1F)NC(=O)C(=O)NCCC[*:1]
N#Cc1cc(NC(=O)C(=O)NCCCn2cnc3ccccc32)ccc1F N#Cc1cc(ccc1F)[*:1] O=C(NCCCn1cnc2ccccc21)C(=O)N[*:1]
Cc1cccc(C)c1-n1nnnc1CS[C@@H](C)[C@@H](C)O C[C@@H](O)[*:1] Cc1cccc(C)c1-n1nnnc1CS[C@@H](C)[*:1]
Cc1c(O)ccc2c(CSc3nnc(-c4cccnc4)n3C)cc(=O)oc12 c1cncc(c1)[*:1] Cc1c(O)ccc2c(cc(=O)oc12)CSc1nnc(n1C)[*:1]
O=C(CS[C@H]1N=NC(=O)[C@H]2C[C@@H](c3cccs3)NN12)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CS[C@H]1N=NC(=O)[C@H]2C[C@H](NN12)c1cccs1)N[*:1]
O=C(CS[C@H]1N=NC(=O)[C@H]2C[C@@H](c3cccs3)NN12)Nc1cccc(F)c1 c1csc(c1)[*:1] O=C(CS[C@H]1N=NC(=O)[C@H]2C[C@@H](NN12)[*:1])Nc1cccc(F)c1
CNC(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCCC[C@H]2C)c1 CNC(=O)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(ccc1=O)[*:1]
CCCCN(c1ccccc1)S(C)(=O)=O CCCC[*:1] CS(=O)(=O)N(c1ccccc1)[*:1]
CCCCN(c1ccccc1)S(C)(=O)=O CCC[*:1] CS(=O)(=O)N(C[*:1])c1ccccc1
CC(C)CS(=O)(=O)CC(=O)N[C@H](c1ccc(F)cc1)C1CC1 C1CC1[*:1] CC(C)CS(=O)(=O)CC(=O)N[C@H](c1ccc(F)cc1)[*:1]
CC(C)CS(=O)(=O)CC(=O)N[C@H](c1ccc(F)cc1)C1CC1 CC(C)C[*:1] O=C(CS(=O)(=O)[*:1])N[C@H](c1ccc(F)cc1)C1CC1
CC(C)CS(=O)(=O)CC(=O)N[C@H](c1ccc(F)cc1)C1CC1 CC(C)CS(=O)(=O)[*:1] O=C(C[*:1])N[C@H](c1ccc(F)cc1)C1CC1
CC(C)CS(=O)(=O)CC(=O)N[C@H](c1ccc(F)cc1)C1CC1 Fc1ccc(cc1)[*:1] CC(C)CS(=O)(=O)CC(=O)N[C@H](C1CC1)[*:1]
CC(C)CS(=O)(=O)CC(=O)N[C@H](c1ccc(F)cc1)C1CC1 CC(C)[*:1] O=C(CS(=O)(=O)C[*:1])N[C@H](c1ccc(F)cc1)C1CC1
C[C@@H]1CN(c2cc[nH+]c(C(=O)NCc3ccccc3)c2)[C@H](C)CO1 c1ccc(cc1)[*:1] C[C@@H]1CN(c2cc[nH+]c(c2)C(=O)NC[*:1])[C@H](C)CO1
C[C@@H]1CN(c2cc[nH+]c(C(=O)NCc3ccccc3)c2)[C@H](C)CO1 c1ccc(cc1)C[*:1] C[C@@H]1CN(c2cc[nH+]c(c2)C(=O)N[*:1])[C@H](C)CO1
O=C(CCc1nc(-c2ccncc2)no1)Nc1sccc1C(=O)NC1CC1 O=C(NC1CC1)[*:1] O=C(CCc1nc(no1)-c1ccncc1)Nc1sccc1[*:1]
O=C(CCc1nc(-c2ccncc2)no1)Nc1sccc1C(=O)NC1CC1 C1CC1[*:1] O=C(CCc1nc(no1)-c1ccncc1)Nc1sccc1C(=O)N[*:1]
O=C(CCc1nc(-c2ccncc2)no1)Nc1sccc1C(=O)NC1CC1 c1cc(ccn1)[*:1] O=C(CCc1nc(no1)[*:1])Nc1sccc1C(=O)NC1CC1
Cc1cc(C)c(NC(=O)CSc2nccnc2-n2nc(C)cc2C)c(C)c1 Cc1cc(C)n(n1)[*:1] Cc1cc(C)c(NC(=O)CSc2nccnc2[*:1])c(C)c1
Cc1cc(C)c(NC(=O)CSc2nccnc2-n2nc(C)cc2C)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1cc(C)n(n1)-c1nccnc1SCC(=O)N[*:1]
Cn1cc(C(=O)NC[C@@H](O)C2CCOCC2)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] Cn1cc(C(=O)NC[C@@H](O)C2CCOCC2)c(n1)[*:1]
Cn1cc(C(=O)NC[C@@H](O)C2CCOCC2)c(-c2ccccc2)n1 C1CC(CCO1)[*:1] Cn1cc(C(=O)NC[C@@H](O)[*:1])c(n1)-c1ccccc1
C[C@@H](CCC(C)(C)C)NC(=O)C(=O)Nc1cccnc1N1CCOCC1 CC(C)(C)[*:1] C[C@@H](CC[*:1])NC(=O)C(=O)Nc1cccnc1N1CCOCC1
C[C@@H](CCC(C)(C)C)NC(=O)C(=O)Nc1cccnc1N1CCOCC1 CC(C)(C)C[*:1] C[C@@H](C[*:1])NC(=O)C(=O)Nc1cccnc1N1CCOCC1
C[C@@H](CCC(C)(C)C)NC(=O)C(=O)Nc1cccnc1N1CCOCC1 CC(C)(C)CC[*:1] C[C@@H](NC(=O)C(=O)Nc1cccnc1N1CCOCC1)[*:1]
C[C@@H](CCC(C)(C)C)NC(=O)C(=O)Nc1cccnc1N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H](CCC(C)(C)C)NC(=O)C(=O)Nc1cccnc1[*:1]
Cn1c(SCC(=O)NCCc2ccc(Cl)cc2Cl)nc2ccccc2c1=O Clc1ccc(c(Cl)c1)[*:1] Cn1c(nc2ccccc2c1=O)SCC(=O)NCC[*:1]
Cn1c(SCC(=O)NCCc2ccc(Cl)cc2Cl)nc2ccccc2c1=O Clc1ccc(C[*:1])c(Cl)c1 Cn1c(nc2ccccc2c1=O)SCC(=O)NC[*:1]
CCC[C@@H](C[NH3+])[C@H](O)c1ccc(C)cc1F CCC[*:1] Cc1ccc(c(F)c1)[C@@H](O)[C@H](C[NH3+])[*:1]
O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(Nc1ccc2CCCc2c1)N1CCN(CC1)[*:1]
COc1cc(Br)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)[*:1] COc1cc(Br)ccc1OC1CCN(CC1)C(=O)O[*:1]
C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1nnc(-c2ccsc2)n1 c1cc(cs1)[*:1] C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1nnc(n1)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)c2ccccc2)cc1OC COc1ccc(cc1OC)[*:1] N#C/C(=C\c1cn(nc1[*:1])-c1ccccc1)C(=O)c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)c2ccccc2)cc1OC O=C(c1ccccc1)[*:1] COc1ccc(cc1OC)-c1nn(cc1C=C(C#N)[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nn(cc1/C=C(\C#N)C(=O)c1ccccc1)[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)-c1nn(cc1/C=C(\C#N)C(=O)[*:1])-c1ccccc1
NC(=O)[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1ccccc1 NC(=O)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1cc(=O)c2ccccc2[nH]1
NC(=O)[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)[*:1]
COc1cc2c(cc1OC)[C@H](c1c(O)nc(O)n(Cc3ccccc3)c1=O)[NH2+]CC2 c1ccc(cc1)C[*:1] COc1cc2CC[NH2+][C@H](c2cc1OC)c1c(O)nc(O)n(c1=O)[*:1]
COc1cc2c(cc1OC)[C@H](c1c(O)nc(O)n(Cc3ccccc3)c1=O)[NH2+]CC2 c1ccc(cc1)[*:1] COc1cc2CC[NH2+][C@H](c2cc1OC)c1c(O)nc(O)n(C[*:1])c1=O
COC(=O)Cc1nc(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])sc1C O=C([O-])[*:1] COC(=O)Cc1nc(NC(=O)[C@H]2CC[C@H]2[*:1])sc1C
COC(=O)Cc1nc(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])sc1C COC(=O)[*:1] Cc1sc(nc1C[*:1])NC(=O)[C@H]1CC[C@@H]1C(=O)[O-]
COC(=O)Cc1nc(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])sc1C COC(=O)C[*:1] Cc1sc(nc1[*:1])NC(=O)[C@H]1CC[C@@H]1C(=O)[O-]
CC(=O)Nc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 CC(=O)N[*:1] O=C(NCc1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)C(=O)NCc1ccc(cc1)[*:1]
CC[C@H](Nc1ccc(F)cc1C#N)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](Nc1ccc(F)cc1C#N)[*:1]
CC(=O)Nc1ccc(SCCCC(=O)Nc2nc(C)cs2)nn1 Cc1csc(n1)[*:1] CC(=O)Nc1ccc(nn1)SCCCC(=O)N[*:1]
CC(=O)Nc1ccc(SCCCC(=O)Nc2nc(C)cs2)nn1 CC(=O)N[*:1] Cc1csc(n1)NC(=O)CCCSc1ccc(nn1)[*:1]
Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 Cc1ccccc1[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(C1)c1ccccc1
Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)[C@H](C)[C@H](C)Sc1nc2ccc(C)cc2[nH]1 COC(=O)[*:1] Cc1ccc2nc([nH]c2c1)S[C@@H](C)[C@@H](C)[*:1]
COC(=O)[C@H](C)[C@H](C)Sc1nc2ccc(C)cc2[nH]1 COC(=O)[C@H](C)[*:1] Cc1ccc2nc([nH]c2c1)S[C@@H](C)[*:1]
CCCCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 CCCC[*:1] N#C[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
CCCCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 CCC[*:1] N#C[C@H](NC(=O)C[*:1])c1ccc(Cl)cc1
O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[NH+](C2CCCC2)CC1 c1ccc2c(c1)ncn2[*:1] O=C(c1ccc(cc1)[*:1])N1CC[NH+](CC1)C1CCCC1
C[C@H](OCC(F)(F)F)C(=O)Nc1cccc(NS(C)(=O)=O)c1 CS(=O)(=O)N[*:1] C[C@H](OCC(F)(F)F)C(=O)Nc1cccc(c1)[*:1]
C[C@H](OCC(F)(F)F)C(=O)Nc1cccc(NS(C)(=O)=O)c1 FC(F)(F)[*:1] C[C@H](OC[*:1])C(=O)Nc1cccc(c1)NS(C)(=O)=O
C[C@H](OCC(F)(F)F)C(=O)Nc1cccc(NS(C)(=O)=O)c1 FC(F)(F)CO[*:1] C[C@H](C(=O)Nc1cccc(c1)NS(C)(=O)=O)[*:1]
C[C@H](OCC(F)(F)F)C(=O)Nc1cccc(NS(C)(=O)=O)c1 FC(F)(F)C[*:1] C[C@H](O[*:1])C(=O)Nc1cccc(c1)NS(C)(=O)=O
COc1cccc2c1OCC(C(=O)N1C[C@H]3CCc4c(nc(N5CCCC5)[nH]c4=O)[C@H]3C1)=C2 C1CCN(C1)[*:1] COc1cccc2C=C(COc21)C(=O)N1C[C@H]2CCc3c(nc([nH]c3=O)[*:1])[C@H]2C1
COc1ccc2cc([C@H](C)C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)ccc2c1 C1CN(CCO1)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NC[C@@H](c1ccc(F)cc1)[*:1]
COc1ccc2cc([C@H](C)C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)ccc2c1 Fc1ccc(cc1)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NC[C@@H](N1CCOCC1)[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cc1ccccc1F Fc1ccccc1[*:1] C[C@H](c1ccc(cc1)[S@](C)=O)N(C)C(=O)C[*:1]
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cc1ccccc1F C[S@](=O)[*:1] C[C@H](c1ccc(cc1)[*:1])N(C)C(=O)Cc1ccccc1F
COCCN(Cc1ccco1)C(=O)Nc1ccccc1OC c1coc(c1)C[*:1] COCCN(C(=O)Nc1ccccc1OC)[*:1]
COCCN(Cc1ccco1)C(=O)Nc1ccccc1OC c1coc(c1)[*:1] COCCN(C[*:1])C(=O)Nc1ccccc1OC
COCCN(Cc1ccco1)C(=O)Nc1ccccc1OC COCC[*:1] COc1ccccc1NC(=O)N(Cc1ccco1)[*:1]
COCCN(Cc1ccco1)C(=O)Nc1ccccc1OC COC[*:1] COc1ccccc1NC(=O)N(Cc1ccco1)C[*:1]
C[C@H](C[NH3+])CN1CCCN(S(=O)(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] C[C@H](C[NH3+])CN1CCCN(CC1)S(=O)(=O)[*:1]
CCCCO[C@@H]1C[C@H](N(C)C(=O)/C=C/c2cccnc2)C1(C)C CCCCO[*:1] CN(C(=O)/C=C/c1cccnc1)[C@H]1C[C@H](C1(C)C)[*:1]
CCCCO[C@@H]1C[C@H](N(C)C(=O)/C=C/c2cccnc2)C1(C)C c1cncc(c1)[*:1] CCCCO[C@@H]1C[C@H](N(C)C(=O)C=C[*:1])C1(C)C
CCCCO[C@@H]1C[C@H](N(C)C(=O)/C=C/c2cccnc2)C1(C)C CCCC[*:1] CN(C(=O)/C=C/c1cccnc1)[C@H]1C[C@@H](O[*:1])C1(C)C
CCCCO[C@@H]1C[C@H](N(C)C(=O)/C=C/c2cccnc2)C1(C)C CCC[*:1] CN(C(=O)/C=C/c1cccnc1)[C@H]1C[C@@H](OC[*:1])C1(C)C
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1 CC(C)N(C)S(=O)(=O)[*:1] O=C(Nc1nnc(o1)-c1cc(Cl)ccc1Cl)c1ccc(cc1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1 CC(C)[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1cc(Cl)ccc1Cl)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1 Clc1ccc(Cl)c(c1)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)[*:1]
Cc1cc(C(=O)Nc2cccc(C)c2C)ccc1-n1nnc2cccnc21 Cc1cccc(c1C)[*:1] Cc1cc(ccc1-n1nnc2cccnc21)C(=O)N[*:1]
Cc1cc(C(=O)Nc2cccc(C)c2C)ccc1-n1nnc2cccnc21 c1cnc2c(c1)nnn2[*:1] Cc1cc(ccc1[*:1])C(=O)Nc1cccc(C)c1C
Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4nc(C(C)(C)C)cs4)nnc12)OCCO3 CC(C)(C)[*:1] Cc1cc2cc3OCCOc3cc2n2c(nnc12)SCC(=O)Nc1nc(cs1)[*:1]
Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4nc(C(C)(C)C)cs4)nnc12)OCCO3 CC(C)(C)c1csc(n1)[*:1] Cc1cc2cc3OCCOc3cc2n2c(nnc12)SCC(=O)N[*:1]
COCCN1C(N)=[NH+]C[C@]12CC[C@@H](C)C2 COC[*:1] C[C@@H]1CC[C@]2(C[NH+]=C(N)N2C[*:1])C1
COCCN1C(N)=[NH+]C[C@]12CC[C@@H](C)C2 COCC[*:1] C[C@@H]1CC[C@]2(C[NH+]=C(N)N2[*:1])C1
O=C(NC1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C1c2ccccc2-c2ccc(cc21)C(=O)N1CCC(CC1)[*:1]
O=C(NC1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2-c2ccc(cc21)C(=O)N1CCC(CC1)NC(=O)[*:1]
COc1ccc(Cl)c2[nH+]c(-c3ccccc3)cc(N)c12 c1ccc(cc1)[*:1] COc1ccc(Cl)c2[nH+]c(cc(N)c12)[*:1]
Cc1nc(CC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cs1 FC(F)(F)[*:1] Cc1nc(cs1)CC(=O)N[C@H]1CCC[C@@H]1c1ccccc1[*:1]
Cc1nc(CC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cs1 Cc1nc(cs1)C[*:1] O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[*:1]
Cc1nc(CC(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cs1 Cc1nc(cs1)[*:1] O=C(C[*:1])N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)c1oc2ccccc2c1C Cc1ccccc1[*:1] Cc1c(oc2ccccc12)[C@@H](C)NC(=O)NNC(=O)N[*:1]
Cn1ccnc(NCC(C)(C)Cc2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1ccnc(NCC(C)(C)C[*:1])c1=O
Cc1ccccc1OCC(=O)NCCOc1ccc2c(c1)CCC(=O)N2 Cc1ccccc1[*:1] O=C(CO[*:1])NCCOc1ccc2NC(=O)CCc2c1
Cc1ccccc1OCC(=O)NCCOc1ccc2c(c1)CCC(=O)N2 Cc1ccccc1O[*:1] O=C(C[*:1])NCCOc1ccc2NC(=O)CCc2c1
C[C@H]1CCC[C@H]([C@](C)(O)C(=O)[O-])CC1 O=C([O-])[*:1] C[C@H]1CCC[C@@H](CC1)[C@](C)(O)[*:1]
Cn1c(Cl)cnc1COC(=O)CCCc1nc2ccccc2c(=O)[nH]1 Cn1c(Cl)cnc1C[*:1] O=C(CCCc1nc2ccccc2c(=O)[nH]1)O[*:1]
Cn1c(Cl)cnc1COC(=O)CCCc1nc2ccccc2c(=O)[nH]1 Cn1c(Cl)cnc1[*:1] O=C(CCCc1nc2ccccc2c(=O)[nH]1)OC[*:1]
COc1ccc(CN(C(=O)Nc2ccccc2)[C@@H](C)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CN(C(=O)Nc1ccccc1)[C@@H](C)[*:1]
COc1ccc(CN(C(=O)Nc2ccccc2)[C@@H](C)c2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CN(C(=O)N[*:1])[C@@H](C)c1ccccc1
CC(=O)c1ccc(NC(=O)C[NH+]2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 FC(F)(F)[*:1] CC(=O)c1ccc(cc1)NC(=O)C[NH+]1CCC(CC1)NC(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)C[NH+]2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 FC(F)(F)c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)C[NH+]1CCC(CC1)NC(=O)N[*:1]
CC(=O)c1ccc(NC(=O)C[NH+]2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F)N[*:1]
CC(=O)c1ccc(NC(=O)C[NH+]2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 CC(=O)[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)[*:1]
CCNc1ccccc1S(=O)(=O)NC[C@@]1(C)CCCO1 CCN[*:1] C[C@@]1(CCCO1)CNS(=O)(=O)c1ccccc1[*:1]
CC#CC[NH+](CCC)C1CCC([NH3+])CC1 CC#CC[*:1] CCC[NH+](C1CCC([NH3+])CC1)[*:1]
CC#CC[NH+](CCC)C1CCC([NH3+])CC1 CC#C[*:1] CCC[NH+](C[*:1])C1CCC([NH3+])CC1
CC#CC[NH+](CCC)C1CCC([NH3+])CC1 CCC[*:1] CC#CC[NH+](C1CCC([NH3+])CC1)[*:1]
CS[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)C1 Cc1ccc(s1)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1ccc2c(c1)N(c1ccccc1)CCC(=O)N2 c1ccc(cc1)[*:1] Cc1ccc2NC(=O)CCN(c2c1)[*:1]
C[C@]([NH2+]CC1CCC1)(C(=O)[O-])C(F)(F)F C1CC(C1)C[*:1] C[C@]([NH2+][*:1])(C(=O)[O-])C(F)(F)F
C[C@]([NH2+]CC1CCC1)(C(=O)[O-])C(F)(F)F C1CC(C1)[*:1] C[C@]([NH2+]C[*:1])(C(=O)[O-])C(F)(F)F
C[C@]([NH2+]CC1CCC1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@]([NH2+]CC1CCC1)(C(F)(F)F)[*:1]
C[C@]([NH2+]CC1CCC1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@]([NH2+]CC1CCC1)(C(=O)[O-])[*:1]
C[C@H](CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)NC[C@H]1CCN(C1)[*:1])N(C)c1ccccc1
C[C@H](CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@H](CNC(=O)NC[C@H]1CCN(C1)c1ccccc1)[*:1]
C[C@H](CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)NC[C@H]1CCN(C1)c1ccccc1)N(C)[*:1]
COc1ccccc1NC(=[NH2+])SCc1cccc(C(N)=O)c1 NC(=O)[*:1] COc1ccccc1NC(=[NH2+])SCc1cccc(c1)[*:1]
O=C(NCc1cccc(F)c1)c1cc(-n2cnnn2)ccc1Br c1nnnn1[*:1] O=C(NCc1cccc(F)c1)c1cc(ccc1Br)[*:1]
O=C(NCc1cccc(F)c1)c1cc(-n2cnnn2)ccc1Br Fc1cccc(c1)[*:1] O=C(NC[*:1])c1cc(ccc1Br)-n1cnnn1
CCOCCN(C)CN1C[C@@H](c2ccccc2)CC1=O CCO[*:1] CN(CC[*:1])CN1C[C@H](CC1=O)c1ccccc1
CCOCCN(C)CN1C[C@@H](c2ccccc2)CC1=O CCOC[*:1] CN(CN1C[C@H](CC1=O)c1ccccc1)C[*:1]
CCOCCN(C)CN1C[C@@H](c2ccccc2)CC1=O CCOCC[*:1] CN(CN1C[C@H](CC1=O)c1ccccc1)[*:1]
CCOCCN(C)CN1C[C@@H](c2ccccc2)CC1=O c1ccc(cc1)[*:1] CCOCCN(C)CN1C[C@@H](CC1=O)[*:1]
CCS(=O)(=O)c1ccc(NCC(=O)NC(=O)NC(C)(C)C)cc1 CCS(=O)(=O)[*:1] CC(C)(C)NC(=O)NC(=O)CNc1ccc(cc1)[*:1]
CCS(=O)(=O)c1ccc(NCC(=O)NC(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] CCS(=O)(=O)c1ccc(cc1)NCC(=O)NC(=O)N[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)CNS(=O)(=O)c1cnn(C)c1 CCC[*:1] C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)[C@@H]1[*:1]
CCC[C@@H]1[C@@H](C)CCCN1C(=O)CNS(=O)(=O)c1cnn(C)c1 Cn1cc(cn1)[*:1] CCC[C@@H]1[C@@H](C)CCCN1C(=O)CNS(=O)(=O)[*:1]
Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c(F)c1 Cc1ccc(c(F)c1)[*:1] C[C@H](C(=O)N[*:1])N1CCO[C@@H](C1)c1ccc(F)c(F)c1
Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c(F)c1 Fc1ccc(cc1F)[*:1] Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](C2)[*:1])c(F)c1
O=C(Cc1cc(F)ccc1F)N[C@H]1CCN(c2ccccc2Cl)C1=O Fc1ccc(F)c(c1)[*:1] O=C(C[*:1])N[C@H]1CCN(C1=O)c1ccccc1Cl
O=C(Cc1cc(F)ccc1F)N[C@H]1CCN(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] O=C(Cc1cc(F)ccc1F)N[C@H]1CCN(C1=O)[*:1]
O=C([O-])CC(COc1ccccc1)CC(=O)[O-] O=C([O-])C[*:1] O=C([O-])CC(COc1ccccc1)[*:1]
O=C([O-])CC(COc1ccccc1)CC(=O)[O-] O=C([O-])[*:1] O=C([O-])CC(COc1ccccc1)C[*:1]
CCCC[NH+](CCO)Cc1ccc(Br)cc1 OCC[*:1] CCCC[NH+](Cc1ccc(Br)cc1)[*:1]
CCCC[NH+](CCO)Cc1ccc(Br)cc1 CCC[*:1] OCC[NH+](Cc1ccc(Br)cc1)C[*:1]
CCCC[NH+](CCO)Cc1ccc(Br)cc1 CCCC[*:1] OCC[NH+](Cc1ccc(Br)cc1)[*:1]
Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C O=C([O-])[*:1] Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](C(C)C)[*:1]
Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C CC(C)[*:1] Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](C(=O)[O-])[*:1]
O=C(Nc1ccccc1N1CCOCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 C1CN(CCO1)[*:1] O=C(Nc1ccccc1[*:1])c1cccc(c1)S(=O)(=O)N1CCCCCC1
O=C(Nc1ccccc1N1CCOCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 O=S(=O)(N1CCCCCC1)[*:1] O=C(Nc1ccccc1N1CCOCC1)c1cccc(c1)[*:1]
NC(=O)c1ccc(OCC(=O)NCc2cccc(Cl)c2)cc1 NC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])NCc1cccc(Cl)c1
NC(=O)c1ccc(OCC(=O)NCc2cccc(Cl)c2)cc1 Clc1cccc(c1)[*:1] NC(=O)c1ccc(cc1)OCC(=O)NC[*:1]
CCOc1ccccc1OCCN1CCc2sccc2C1 CCO[*:1] c1ccc(c(c1)OCCN1CCc2sccc2C1)[*:1]
C[C@@H](NC(=S)NC1CC1)c1nc(-c2ccc(F)cc2)no1 C1CC1[*:1] C[C@@H](NC(=S)N[*:1])c1nc(no1)-c1ccc(F)cc1
C[C@@H](NC(=S)NC1CC1)c1nc(-c2ccc(F)cc2)no1 Fc1ccc(cc1)[*:1] C[C@@H](NC(=S)NC1CC1)c1nc(no1)[*:1]
C[C@@H](NC(=S)NC1CC1)c1nc(-c2ccc(F)cc2)no1 S=C(NC1CC1)N[*:1] C[C@@H](c1nc(no1)-c1ccc(F)cc1)[*:1]
COCCN1C[C@@H](C(=O)Nc2nccs2)CC1=O c1csc(n1)[*:1] COCCN1C[C@H](CC1=O)C(=O)N[*:1]
COCCN1C[C@@H](C(=O)Nc2nccs2)CC1=O COCC[*:1] O=C(Nc1nccs1)[C@H]1CC(=O)N(C1)[*:1]
COCCN1C[C@@H](C(=O)Nc2nccs2)CC1=O COC[*:1] O=C(Nc1nccs1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(NCc1ccc(OC2CCCC2)nc1)C(=O)Nc1cccc(F)c1F C1CCC(C1)O[*:1] O=C(NCc1ccc(nc1)[*:1])C(=O)Nc1cccc(F)c1F
O=C(NCc1ccc(OC2CCCC2)nc1)C(=O)Nc1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(NCc1ccc(nc1)OC1CCCC1)C(=O)N[*:1]
O=C(NCc1ccc(OC2CCCC2)nc1)C(=O)Nc1cccc(F)c1F C1CCC(C1)[*:1] O=C(NCc1ccc(nc1)O[*:1])C(=O)Nc1cccc(F)c1F
COc1cc(Nc2ccc([N+](=O)[O-])cn2)ccc1Br O=[N+]([O-])[*:1] COc1cc(ccc1Br)Nc1ccc(cn1)[*:1]
O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@@H](N2CCS(=O)(=O)CC2)C1 C1CC1[*:1] O=C([O-])[C@]1(CCC[C@H](C1)N1CCS(=O)(=O)CC1)[NH2+][*:1]
O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@@H](N2CCS(=O)(=O)CC2)C1 O=C([O-])[*:1] O=S1(=O)CCN(CC1)[C@@H]1CCC[C@@](C1)([NH2+]C1CC1)[*:1]
COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc4[nH]ccc4c3)c3ccccc3C(=O)N2C)cc1 c1cc2cc(ccc2[nH]1)[*:1] COc1ccc(cc1)[C@@H]1[C@@H](C(=O)N[*:1])c2ccccc2C(=O)N1C
COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc4[nH]ccc4c3)c3ccccc3C(=O)N2C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@H]1[*:1]
CC(C)c1n[nH]c(=S)n1CCNC(=O)c1cc(-c2ccccc2)no1 CC(C)[*:1] O=C(NCCn1c(n[nH]c1=S)[*:1])c1cc(no1)-c1ccccc1
CC(C)c1n[nH]c(=S)n1CCNC(=O)c1cc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CC(C)c1n[nH]c(=S)n1CCNC(=O)c1cc(no1)[*:1]
CCCN1CCN(C(=O)C2CCN(c3nnc(N4CCCCC4=O)s3)CC2)CC1 CCC[*:1] O=C(C1CCN(CC1)c1nnc(s1)N1CCCCC1=O)N1CCN(CC1)[*:1]
CCCN1CCN(C(=O)C2CCN(c3nnc(N4CCCCC4=O)s3)CC2)CC1 O=C1CCCCN1[*:1] CCCN1CCN(CC1)C(=O)C1CCN(CC1)c1nnc(s1)[*:1]
CCS(=O)(=O)NCCS[C@@H](C)c1ccc(F)cc1 CCS(=O)(=O)N[*:1] C[C@H](SCC[*:1])c1ccc(F)cc1
CCC[NH2+][C@H]([C@@H]1CCOC2(CCCC2)C1)[C@@H]1CSCCS1 CCC[*:1] C1CCC2(C1)C[C@@H](CCO2)[C@@H]([NH2+][*:1])[C@@H]1CSCCS1
Cc1cc(C(=O)N2CCN(C(=O)[C@H]3Cc4ccccc4S3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C([C@H]1Cc2ccccc2S1)N1CCN(CC1)C(=O)[*:1]
CCc1nn(C)cc1NC(=O)CCSc1nnnn1C Cn1nnnc1[*:1] CCc1nn(C)cc1NC(=O)CCS[*:1]
CCCCN1C(=O)/C(=C(/C#N)C(=O)N2CCCCC2)c2ccccc21 O=C(N1CCCCC1)[*:1] CCCCN1C(=O)C(=C(C#N)[*:1])c2ccccc21
CCCCN1C(=O)/C(=C(/C#N)C(=O)N2CCCCC2)c2ccccc21 CCC[*:1] N#C/C(C(=O)N1CCCCC1)=C1/C(=O)N(C[*:1])c2ccccc21
CCCCN1C(=O)/C(=C(/C#N)C(=O)N2CCCCC2)c2ccccc21 CCCC[*:1] N#C/C(C(=O)N1CCCCC1)=C1/C(=O)N(c2ccccc21)[*:1]
Cc1c(Cl)ccc2c(=O)c(C(=O)Nc3nncs3)c[nH]c12 c1nnc(s1)[*:1] Cc1c(Cl)ccc2c(=O)c(c[nH]c12)C(=O)N[*:1]
CS(=O)(=O)NCCC(=O)NCc1ccnc(-n2cccn2)c1 CS(=O)(=O)NC[*:1] O=C(C[*:1])NCc1ccnc(c1)-n1cccn1
CS(=O)(=O)NCCC(=O)NCc1ccnc(-n2cccn2)c1 c1cnn(c1)[*:1] CS(=O)(=O)NCCC(=O)NCc1ccnc(c1)[*:1]
CS(=O)(=O)NCCC(=O)NCc1ccnc(-n2cccn2)c1 CS(=O)(=O)NCC[*:1] O=C(NCc1ccnc(c1)-n1cccn1)[*:1]
CS(=O)(=O)NCCC(=O)NCc1ccnc(-n2cccn2)c1 CS(=O)(=O)N[*:1] O=C(CC[*:1])NCc1ccnc(c1)-n1cccn1
CCN(CCC#N)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 N#CC[*:1] CCN(C[*:1])C(=O)[C@H]1CC[C@@H](C[NH3+])O1
CCN(CCC#N)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 N#CCC[*:1] CCN(C(=O)[C@H]1CC[C@@H](C[NH3+])O1)[*:1]
Cc1cc(OCCN2CCCN(S(C)(=O)=O)CC2)ccc1C(C)C CC(C)[*:1] Cc1cc(ccc1[*:1])OCCN1CCCN(CC1)S(C)(=O)=O
CC(C)c1nsc(N2CCN(C)C[C@@H]2c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)c1nsc(n1)N1CCN(C)C[C@H]1[*:1]
CC(C)c1nsc(N2CCN(C)C[C@@H]2c2ccccc2)n1 CC(C)[*:1] CN1CCN(c2nc(ns2)[*:1])[C@H](C1)c1ccccc1
CCO[C@H]1C[C@@H](NC(=O)NC[C@](C)(O)c2cnn(C)c2)C12CCC2 Cn1cc(cn1)[*:1] CCO[C@H]1C[C@@H](NC(=O)NC[C@](C)(O)[*:1])C12CCC2
CCO[C@H]1C[C@@H](NC(=O)NC[C@](C)(O)c2cnn(C)c2)C12CCC2 CCO[*:1] Cn1cc(cn1)[C@@](C)(O)CNC(=O)N[C@@H]1C[C@@H](C12CCC2)[*:1]
COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccccc3O)c(=O)n12 COC(=O)[*:1] C[C@]12N=c3s/c(=C\c4ccccc4O)c(=O)n3[C@H](c3ccccc3O1)[C@@H]2[*:1]
COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccccc3O)c(=O)n12 Oc1ccccc1[*:1] COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1sc(=C[*:1])c(=O)n12
CN(CCS(C)(=O)=O)c1ccc(F)cc1C(N)=[NH2+] CS(=O)(=O)C[*:1] CN(C[*:1])c1ccc(F)cc1C(N)=[NH2+]
CN(CCS(C)(=O)=O)c1ccc(F)cc1C(N)=[NH2+] NC(=[NH2+])[*:1] CN(CCS(C)(=O)=O)c1ccc(F)cc1[*:1]
CN(CCS(C)(=O)=O)c1ccc(F)cc1C(N)=[NH2+] CS(=O)(=O)[*:1] CN(CC[*:1])c1ccc(F)cc1C(N)=[NH2+]
CN(CCS(C)(=O)=O)c1ccc(F)cc1C(N)=[NH2+] CS(=O)(=O)CC[*:1] CN(c1ccc(F)cc1C(N)=[NH2+])[*:1]
COC[C@@H](C)Nc1ncnc(Nc2ccc(C)c(Cl)c2)c1N COC[C@@H](C)[*:1] Cc1ccc(cc1Cl)Nc1ncnc(N[*:1])c1N
COC[C@@H](C)Nc1ncnc(Nc2ccc(C)c(Cl)c2)c1N COC[C@@H](C)N[*:1] Cc1ccc(cc1Cl)Nc1ncnc(c1N)[*:1]
COC[C@@H](C)Nc1ncnc(Nc2ccc(C)c(Cl)c2)c1N COC[*:1] Cc1ccc(cc1Cl)Nc1ncnc(N[C@H](C)[*:1])c1N
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)c1 N#Cc1cccc(c1)[*:1] CCOC(=O)c1cnn(c1)[C@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)c1 CCOC(=O)[*:1] N#Cc1cccc(c1)C(=O)N1CCC[C@@H](C1)n1cc(cn1)[*:1]
c1ccc([C@H]2OC[C@@H]3N[C@H]4CO[C@@H](c5ccccc5)O[C@H]4[C@@H]3O2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)[C@@H]1OC[C@@H]2N[C@H]3CO[C@@H](O[C@H]3[C@@H]2O1)[*:1]
S=C1[NH+]=N[C@H](c2ccccc2)N1/N=C/C(Cl)=C/c1ccccc1 c1ccc(cc1)[*:1] S=C1[NH+]=N[C@H](N1/N=C/C(Cl)=C/c1ccccc1)[*:1]
S=C1[NH+]=N[C@H](c2ccccc2)N1/N=C/C(Cl)=C/c1ccccc1 c1ccc(cc1)[*:1] S=C1[NH+]=N[C@H](c2ccccc2)N1/N=C/C(/Cl)=C[*:1]
CSc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)cn1 CC(C)[*:1] CSc1ccc(cn1)NC(=O)C(=O)N[C@@H](c1ccc(cc1)C(C)C)[*:1]
CSc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)cn1 CC(C)c1ccc(cc1)[*:1] CSc1ccc(cn1)NC(=O)C(=O)N[C@@H](C(C)C)[*:1]
CSc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)cn1 CSc1ccc(cn1)[*:1] CC(C)c1ccc(cc1)[C@H](NC(=O)C(=O)N[*:1])C(C)C
CSc1ccc(NC(=O)C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)cn1 CC(C)[*:1] CSc1ccc(cn1)NC(=O)C(=O)N[C@@H](c1ccc(cc1)[*:1])C(C)C
CC[C@H]1CCC[C@](C[NH3+])([C@](C)(O)C2CC2)C1 C1CC1[*:1] CC[C@H]1CCC[C@@](C[NH3+])(C1)[C@](C)(O)[*:1]
O=C(CNC(=O)c1nc(-c2cccs2)nc2c1OCO2)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=C(NC[*:1])c1nc(nc2OCOc21)-c1cccs1
O=C(CNC(=O)c1nc(-c2cccs2)nc2c1OCO2)NCc1ccco1 c1csc(c1)[*:1] O=C(CNC(=O)c1nc(nc2OCOc21)[*:1])NCc1ccco1
O=C(CNC(=O)c1nc(-c2cccs2)nc2c1OCO2)NCc1ccco1 c1coc(c1)C[*:1] O=C(CNC(=O)c1nc(nc2OCOc21)-c1cccs1)N[*:1]
O=C(CNC(=O)c1nc(-c2cccs2)nc2c1OCO2)NCc1ccco1 c1coc(c1)[*:1] O=C(CNC(=O)c1nc(nc2OCOc21)-c1cccs1)NC[*:1]
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1O Clc1ccccc1[*:1] COc1cc(/C=C(/C#N)C(=O)N[*:1])cc(I)c1O
CN(C)C[C@](C)(O)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 CN(C)[*:1] C[C@@](O)(C[NH2+]C1CCN(CC1)Cc1ccccc1Cl)C[*:1]
CN(C)C[C@](C)(O)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 CN(C)C[*:1] C[C@](O)(C[NH2+]C1CCN(CC1)Cc1ccccc1Cl)[*:1]
CN(C)C[C@](C)(O)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 Clc1ccccc1[*:1] CN(C)C[C@](C)(O)C[NH2+]C1CCN(CC1)C[*:1]
C[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)n1nc(-c2ccc3c(c2)OCO3)ccc1=O Clc1cccc(c1)[*:1] C[C@H](C(=O)N1CCN(CC1)[*:1])n1nc(ccc1=O)-c1ccc2OCOc2c1
C[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)n1nc(-c2ccc3c(c2)OCO3)ccc1=O c1cc2OCOc2cc1[*:1] C[C@H](C(=O)N1CCN(CC1)c1cccc(Cl)c1)n1nc(ccc1=O)[*:1]
O=C(Nc1ccc2c(c1)COC2)c1cccnc1S(=O)(=O)C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc2COCc2c1)c1cccnc1S(=O)(=O)[*:1]
O=C(Nc1ccc2c(c1)COC2)c1cccnc1S(=O)(=O)C(F)(F)F O=S(=O)(C(F)(F)F)[*:1] O=C(Nc1ccc2COCc2c1)c1cccnc1[*:1]
CSc1ccc(C(=O)NCc2cccnc2)cc1[N+](=O)[O-] c1cncc(c1)C[*:1] CSc1ccc(cc1[N+](=O)[O-])C(=O)N[*:1]
CSc1ccc(C(=O)NCc2cccnc2)cc1[N+](=O)[O-] c1cncc(c1)[*:1] CSc1ccc(cc1[N+](=O)[O-])C(=O)NC[*:1]
CSc1ccc(C(=O)NCc2cccnc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CSc1ccc(cc1[*:1])C(=O)NCc1cccnc1
Cc1c(C)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2oc1=O Fc1ccc(c(F)c1)[*:1] Cc1c(C)c2ccc(cc2oc1=O)OCC(=O)N[*:1]
COCCOc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cn1 COCC[*:1] O=C(Nc1ccc(nc1)O[*:1])N1CCC[C@H]1c1cccs1
COCCOc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cn1 c1csc(c1)[*:1] COCCOc1ccc(cn1)NC(=O)N1CCC[C@@H]1[*:1]
COCCOc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cn1 COC[*:1] O=C(Nc1ccc(nc1)OC[*:1])N1CCC[C@H]1c1cccs1
COCCOc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cn1 COCCO[*:1] O=C(Nc1ccc(nc1)[*:1])N1CCC[C@H]1c1cccs1
CC[NH2+][C@@H](C)c1cc(F)ccc1OC[C@H](O)CC CC[C@@H](O)C[*:1] CC[NH2+][C@@H](C)c1cc(F)ccc1O[*:1]
CC[NH2+][C@@H](C)c1cc(F)ccc1OC[C@H](O)CC CC[C@@H](O)[*:1] CC[NH2+][C@@H](C)c1cc(F)ccc1OC[*:1]
CC[NH2+][C@@H](C)c1cc(F)ccc1OC[C@H](O)CC CC[C@@H](O)CO[*:1] CC[NH2+][C@@H](C)c1cc(F)ccc1[*:1]
CN([C@H]1CCSC1)[C@@H](C[NH3+])c1cc(Br)ccc1F C1C[C@@H](CS1)[*:1] CN([C@@H](C[NH3+])c1cc(Br)ccc1F)[*:1]
Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)Nc3ccc(F)cc3)cc2c1 Fc1ccc(cc1)[*:1] Cc1ccc2[nH]c(=O)c(cc2c1)CN(C[C@@H]1CCCO1)C(=S)N[*:1]
COc1ccc([C@@H](C)NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1OC Cc1ccc(cc1C)[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)c1nnn(c1C)[*:1]
C[C@@H](c1ccccc1F)N(C(=O)c1cc(F)ccc1O)C1CC1 Fc1ccccc1[*:1] C[C@@H](N(C(=O)c1cc(F)ccc1O)C1CC1)[*:1]
C[C@@H](c1ccccc1F)N(C(=O)c1cc(F)ccc1O)C1CC1 C1CC1[*:1] C[C@@H](c1ccccc1F)N(C(=O)c1cc(F)ccc1O)[*:1]
O=C([O-])CSC(=S)N1CCCC1 O=C([O-])[*:1] S=C(SC[*:1])N1CCCC1
O=C([O-])CSC(=S)N1CCCC1 O=C([O-])C[*:1] S=C(S[*:1])N1CCCC1
COc1cccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 COc1cccc(c1)C[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)N[*:1]
COc1cccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 COc1cccc(c1)[*:1] CC(C)n1ncc2c(cc(nc21)C1CC1)C(=O)NC[*:1]
COc1cccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 C1CC1[*:1] COc1cccc(c1)CNC(=O)c1cc(nc2c1cnn2C(C)C)[*:1]
COc1cccc(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 CC(C)[*:1] COc1cccc(c1)CNC(=O)c1cc(nc2c1cnn2[*:1])C1CC1
CC(C)CC(=O)C1=C([O-])C(=O)N(CC[NH3+])[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)CC(=O)C1=C([O-])C(=O)N(CC[NH3+])[C@@H]1[*:1]
CC(C)CC(=O)C1=C([O-])C(=O)N(CC[NH3+])[C@H]1c1ccc(F)cc1 CC(C)C[*:1] [NH3+]CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(F)cc1
CC(C)CC(=O)C1=C([O-])C(=O)N(CC[NH3+])[C@H]1c1ccc(F)cc1 CC(C)[*:1] [NH3+]CCN1C(=O)C([O-])=C(C(=O)C[*:1])[C@@H]1c1ccc(F)cc1
CC(C)CC(=O)C1=C([O-])C(=O)N(CC[NH3+])[C@H]1c1ccc(F)cc1 CC(C)CC(=O)[*:1] [NH3+]CCN1C(=O)C([O-])=C([C@@H]1c1ccc(F)cc1)[*:1]
CCCN1C(SCC2=NC(=O)C3=C(c4ccc(Cl)cc4)CSC3=N2)=NN[C@@H]1O CCC[*:1] O=C1N=C(CSC2=NN[C@H](O)N2[*:1])N=C2SCC(=C12)c1ccc(Cl)cc1
CCCN1C(SCC2=NC(=O)C3=C(c4ccc(Cl)cc4)CSC3=N2)=NN[C@@H]1O Clc1ccc(cc1)[*:1] CCCN1C(=NN[C@@H]1O)SCC1=NC(=O)C2C(=N1)SCC=2[*:1]
Cc1ccc(O[C@H](C)C(=O)O[C@H](C)[C@@H]2CCOC2)c(Br)c1 C1C[C@H](CO1)[*:1] Cc1ccc(O[C@H](C)C(=O)O[C@H](C)[*:1])c(Br)c1
CCn1c(C2CCN(C(=O)[C@H](Cc3c[nH]cn3)n3cccc3)CC2)n[nH]c1=O c1ccn(c1)[*:1] CCn1c(n[nH]c1=O)C1CCN(CC1)C(=O)[C@H](Cc1c[nH]cn1)[*:1]
CCn1c(C2CCN(C(=O)[C@H](Cc3c[nH]cn3)n3cccc3)CC2)n[nH]c1=O c1nc(c[nH]1)[*:1] CCn1c(n[nH]c1=O)C1CCN(CC1)C(=O)[C@H](C[*:1])n1cccc1
CCn1c(C2CCN(C(=O)[C@H](Cc3c[nH]cn3)n3cccc3)CC2)n[nH]c1=O c1nc(c[nH]1)C[*:1] CCn1c(n[nH]c1=O)C1CCN(CC1)C(=O)[C@H](n1cccc1)[*:1]
CCn1c(C2CCN(C(=O)[C@H](Cc3c[nH]cn3)n3cccc3)CC2)n[nH]c1=O CCn1c(n[nH]c1=O)[*:1] O=C([C@H](Cc1c[nH]cn1)n1cccc1)N1CCC(CC1)[*:1]
CC(C)COc1ccccc1C(=O)Nc1ccc(Cl)nc1 CC(C)[*:1] O=C(Nc1ccc(Cl)nc1)c1ccccc1OC[*:1]
CC(C)COc1ccccc1C(=O)Nc1ccc(Cl)nc1 CC(C)C[*:1] O=C(Nc1ccc(Cl)nc1)c1ccccc1O[*:1]
CC(C)COc1ccccc1C(=O)Nc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] CC(C)COc1ccccc1C(=O)N[*:1]
CC(C)COc1ccccc1C(=O)Nc1ccc(Cl)nc1 CC(C)CO[*:1] O=C(Nc1ccc(Cl)nc1)c1ccccc1[*:1]
Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F FC(F)(F)C[*:1] Cc1occc1C(=O)Nc1cc(ccc1O[*:1])C(F)(F)F
Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] Cc1occc1C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F Cc1occc1[*:1] O=C(Nc1cc(ccc1OCC(F)(F)F)C(F)(F)F)[*:1]
Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F FC(F)(F)[*:1] Cc1occc1C(=O)Nc1cc(ccc1OCC(F)(F)F)[*:1]
Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F FC(F)(F)[*:1] Cc1occc1C(=O)Nc1cc(ccc1OC[*:1])C(F)(F)F
Cc1c(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cnn1-c1ccncc1 CC(C)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)N1CCN(CC1)[C@@H](C#N)[*:1]
Cc1c(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CCN(CC1)[C@@H](C#N)C(C)C
CC(C)[C@H](CC(=O)N1CC[C@H](C(N)=O)c2ccccc21)c1ccccc1 NC(=O)[*:1] CC(C)[C@H](CC(=O)N1CC[C@H](c2ccccc21)[*:1])c1ccccc1
CC(C)[C@H](CC(=O)N1CC[C@H](C(N)=O)c2ccccc21)c1ccccc1 CC(C)[*:1] NC(=O)[C@H]1CCN(C(=O)C[C@H](c2ccccc2)[*:1])c2ccccc21
CC(C)[C@H](CC(=O)N1CC[C@H](C(N)=O)c2ccccc21)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](CC(=O)N1CC[C@H](C(N)=O)c2ccccc21)[*:1]
CN(C)c1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 CN(C)[*:1] O=C(NCc1cccc(c1)C(F)(F)F)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 FC(F)(F)[*:1] CN(C)c1cccc(c1)C(=O)NCc1cccc(c1)[*:1]
COc1ccc(CN2CC[NH+](Cc3nc4scc(-c5ccc(F)cc5)c4c(=O)[nH]3)CC2)cc1F Fc1ccc(cc1)[*:1] COc1ccc(cc1F)CN1CC[NH+](CC1)Cc1nc2scc(c2c(=O)[nH]1)[*:1]
COc1ccc(CN2CC[NH+](Cc3nc4scc(-c5ccc(F)cc5)c4c(=O)[nH]3)CC2)cc1F COc1ccc(cc1F)[*:1] O=c1[nH]c(C[NH+]2CCN(CC2)C[*:1])nc2scc(-c3ccc(F)cc3)c12
COc1ccc(CN2CC[NH+](Cc3nc4scc(-c5ccc(F)cc5)c4c(=O)[nH]3)CC2)cc1F COc1ccc(cc1F)C[*:1] O=c1[nH]c(C[NH+]2CCN(CC2)[*:1])nc2scc(-c3ccc(F)cc3)c12
CS(=O)(=O)Nc1ccccc1NC(=O)CCC1CCCC1 CS(=O)(=O)N[*:1] O=C(CCC1CCCC1)Nc1ccccc1[*:1]
CS(=O)(=O)Nc1ccccc1NC(=O)CCC1CCCC1 C1CCC(C1)[*:1] CS(=O)(=O)Nc1ccccc1NC(=O)CC[*:1]
CS(=O)(=O)Nc1ccccc1NC(=O)CCC1CCCC1 C1CCC(C1)CC[*:1] CS(=O)(=O)Nc1ccccc1NC(=O)[*:1]
CS(=O)(=O)Nc1ccccc1NC(=O)CCC1CCCC1 C1CCC(C1)C[*:1] CS(=O)(=O)Nc1ccccc1NC(=O)C[*:1]
CC[C@@H](NC(=O)NCCn1cccc1)c1cccc(S(N)(=O)=O)c1 c1ccn(c1)C[*:1] CC[C@@H](NC(=O)NC[*:1])c1cccc(c1)S(N)(=O)=O
CC[C@@H](NC(=O)NCCn1cccc1)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] CC[C@@H](NC(=O)NCCn1cccc1)c1cccc(c1)[*:1]
CC[C@@H](NC(=O)NCCn1cccc1)c1cccc(S(N)(=O)=O)c1 c1ccn(c1)[*:1] CC[C@@H](NC(=O)NCC[*:1])c1cccc(c1)S(N)(=O)=O
CC[C@@H](NC(=O)NCCn1cccc1)c1cccc(S(N)(=O)=O)c1 c1ccn(c1)CC[*:1] CC[C@@H](NC(=O)N[*:1])c1cccc(c1)S(N)(=O)=O
C=CCN1C(=O)C(=O)N(CC(=O)c2ccc(CCC)cc2)C1=O CCC[*:1] C=CCN1C(=O)C(=O)N(CC(=O)c2ccc(cc2)[*:1])C1=O
C=CCN1C(=O)C(=O)N(CC(=O)c2ccc(CCC)cc2)C1=O C=CC[*:1] CCCc1ccc(cc1)C(=O)CN1C(=O)C(=O)N(C1=O)[*:1]
CCC(C)(C)NC(=O)c1ccc(C#N)c(C)n1 CCC(C)(C)[*:1] Cc1nc(ccc1C#N)C(=O)N[*:1]
O=C(COc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1ccc(F)cc1 O=C(c1ccc(F)cc1)[*:1] O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccccc1OC[*:1]
O=C(COc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccccc1OCC(=O)[*:1]
N#CCc1c(F)cc(C(F)(F)F)cc1C(F)(F)F FC(F)(F)[*:1] N#CCc1c(F)cc(cc1C(F)(F)F)[*:1]
N#CCc1c(F)cc(C(F)(F)F)cc1C(F)(F)F N#CC[*:1] Fc1cc(cc(c1[*:1])C(F)(F)F)C(F)(F)F
N#CCc1c(F)cc(C(F)(F)F)cc1C(F)(F)F FC(F)(F)[*:1] N#CCc1c(F)cc(cc1[*:1])C(F)(F)F
CC[NH+]1CCC(CCNC(=O)C(C)(C)NC(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCC(CCNC(=O)C(C)(C)NC(=O)N[*:1])CC1
CC(C)c1ccc(NC(=O)[C@H](C)N2C(=O)CCC2=O)cc1 CC(C)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])N1C(=O)CCC1=O
CC(C)c1ccc(NC(=O)[C@H](C)N2C(=O)CCC2=O)cc1 O=C1CCC(=O)N1[*:1] CC(C)c1ccc(cc1)NC(=O)[C@H](C)[*:1]
C[NH2+][C@@H](c1ccn(Cc2cc(C)no2)c1)C(C)C Cc1cc(on1)[*:1] C[NH2+][C@@H](c1ccn(c1)C[*:1])C(C)C
C[NH2+][C@@H](c1ccn(Cc2cc(C)no2)c1)C(C)C CC(C)[*:1] C[NH2+][C@@H](c1ccn(c1)Cc1cc(C)no1)[*:1]
CCCCOc1ccc(C(=O)N2CCC(C(=O)N(C)C)CC2)cc1OC CCCC[*:1] COc1cc(ccc1O[*:1])C(=O)N1CCC(CC1)C(=O)N(C)C
CCCCOc1ccc(C(=O)N2CCC(C(=O)N(C)C)CC2)cc1OC CCCCO[*:1] COc1cc(ccc1[*:1])C(=O)N1CCC(CC1)C(=O)N(C)C
CCCCOc1ccc(C(=O)N2CCC(C(=O)N(C)C)CC2)cc1OC CCC[*:1] COc1cc(ccc1OC[*:1])C(=O)N1CCC(CC1)C(=O)N(C)C
CCCCOc1ccc(C(=O)N2CCC(C(=O)N(C)C)CC2)cc1OC CN(C)C(=O)[*:1] CCCCOc1ccc(cc1OC)C(=O)N1CCC(CC1)[*:1]
COCCn1c(C)cc([O-])c([C@@H](c2ccccn2)N2CC[NH+](C)CC2)c1=O COCC[*:1] Cc1cc([O-])c(c(=O)n1[*:1])[C@@H](c1ccccn1)N1CC[NH+](C)CC1
COCCn1c(C)cc([O-])c([C@@H](c2ccccn2)N2CC[NH+](C)CC2)c1=O c1ccc(nc1)[*:1] COCCn1c(C)cc([O-])c(c1=O)[C@@H](N1CC[NH+](C)CC1)[*:1]
COCCn1c(C)cc([O-])c([C@@H](c2ccccn2)N2CC[NH+](C)CC2)c1=O COC[*:1] Cc1cc([O-])c(c(=O)n1C[*:1])[C@@H](c1ccccn1)N1CC[NH+](C)CC1
COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2c(Cl)cccc23)c1 COc1ccc(OC)c(c1)[*:1] O=C(N[*:1])[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1c(Cl)cccc12
CCc1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1ccc(cc1[*:1])NC(=O)c1ccc[n+]([O-])c1
CCc1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1[N+](=O)[O-] [O-][n+]1cccc(c1)[*:1] CCc1ccc(cc1[N+](=O)[O-])NC(=O)[*:1]
Cc1nc(C)c(CNC(=O)N2CC[NH+](C3CCCC3)CC2)s1 Cc1nc(C)c(s1)[*:1] O=C(NC[*:1])N1CC[NH+](CC1)C1CCCC1
Cc1nc(C)c(CNC(=O)N2CC[NH+](C3CCCC3)CC2)s1 C1CCC(C1)[*:1] Cc1nc(C)c(CNC(=O)N2CC[NH+](CC2)[*:1])s1
Cc1cc(C(=O)CCC(=O)OCc2cccc(C#N)c2)c(C)s1 Cc1cc(c(C)s1)[*:1] N#Cc1cccc(c1)COC(=O)CCC(=O)[*:1]
CCOC(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 CCOC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1c2CCCCc2nc2ccccc12
Cc1noc(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)n1 FC(F)(F)[*:1] Cc1noc(CCC(=O)Nc2ccc(OC[*:1])c(C)c2)n1
Cc1noc(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)n1 Cc1noc(C[*:1])n1 Cc1cc(ccc1OCC(F)(F)F)NC(=O)C[*:1]
Cc1noc(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)n1 Cc1noc(CC[*:1])n1 Cc1cc(ccc1OCC(F)(F)F)NC(=O)[*:1]
Cc1noc(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)n1 FC(F)(F)CO[*:1] Cc1noc(CCC(=O)Nc2ccc(c(C)c2)[*:1])n1
Cc1noc(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)n1 FC(F)(F)C[*:1] Cc1noc(CCC(=O)Nc2ccc(O[*:1])c(C)c2)n1
Cc1noc(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)n1 Cc1noc(n1)[*:1] Cc1cc(ccc1OCC(F)(F)F)NC(=O)CC[*:1]
Cc1ccc(-n2nnc(C(=O)Nc3cccc(F)c3C)c2C2CC2)cc1 Cc1ccc(cc1)[*:1] Cc1c(F)cccc1NC(=O)c1nnn(c1C1CC1)[*:1]
Cc1ccc(-n2nnc(C(=O)Nc3cccc(F)c3C)c2C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)-n1nnc(C(=O)Nc2cccc(F)c2C)c1[*:1]
Cc1ccc(-n2nnc(C(=O)Nc3cccc(F)c3C)c2C2CC2)cc1 Cc1c(F)cccc1[*:1] Cc1ccc(cc1)-n1nnc(C(=O)N[*:1])c1C1CC1
Cc1occc1C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1occc1C(=O)N/N=C/c1ccc(Cl)c(c1)[*:1]
Cc1occc1C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 Cc1occc1[*:1] O=C(N/N=C/c1ccc(Cl)c(c1)[N+](=O)[O-])[*:1]
NNC(=O)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 NNC(=O)[*:1] Clc1ccc2oc(nc2c1)-c1cccc(c1)C[*:1]
NNC(=O)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 NNC(=O)C[*:1] Clc1ccc2oc(nc2c1)-c1cccc(c1)[*:1]
CC1(C)C(=O)N(Cc2ccc(F)cc2C#CCO)S1(=O)=O OCC#C[*:1] CC1(C)C(=O)N(Cc2ccc(F)cc2[*:1])S1(=O)=O
CCCN(C)C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 CCC[*:1] COc1ccc(cc1)NS(=O)(=O)c1cc(ccc1F)C(=O)N(C)[*:1]
CCCN(C)C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 COc1ccc(cc1)[*:1] CCCN(C)C(=O)c1ccc(F)c(c1)S(=O)(=O)N[*:1]
CCCN(C)C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 CCCN(C)C(=O)[*:1] COc1ccc(cc1)NS(=O)(=O)c1cc(ccc1F)[*:1]
Cc1sc2ncnc(SCCC(=O)N[C@H]3C[C@@H]3C)c2c1C C[C@H]1C[C@@H]1NC(=O)[*:1] Cc1sc2ncnc(SCC[*:1])c2c1C
Cc1nc(C(C)(C)[NH2+]CC(=O)N2CCN(c3ncccn3)CC2)sc1C Cc1nc(sc1C)[*:1] CC(C)([NH2+]CC(=O)N1CCN(CC1)c1ncccn1)[*:1]
Cc1nc(C(C)(C)[NH2+]CC(=O)N2CCN(c3ncccn3)CC2)sc1C c1cnc(nc1)[*:1] Cc1nc(sc1C)C(C)(C)[NH2+]CC(=O)N1CCN(CC1)[*:1]
CCCc1c(C[NH3+])cnn1-c1ccc(F)cc1F CCC[*:1] [NH3+]Cc1cnn(-c2ccc(F)cc2F)c1[*:1]
O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@@H](n2cncn2)C1 C1CC1[*:1] O=C([O-])[C@]1(CCC[C@H](C1)n1cncn1)[NH2+][*:1]
O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@@H](n2cncn2)C1 c1ncn(n1)[*:1] O=C([O-])[C@]1(CCC[C@@H](C1)[*:1])[NH2+]C1CC1
O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@@H](n2cncn2)C1 O=C([O-])[*:1] c1ncn(n1)[C@@H]1CCC[C@@](C1)([NH2+]C1CC1)[*:1]
Cc1cccc(CNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)c1 Cc1cccc(c1)[*:1] O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)NC[*:1]
Cc1cccc(CNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)c1 Cc1cccc(c1)C[*:1] O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)N[*:1]
COc1ccc(CCC(=O)NNC(=O)NC(C)C)cc1Br CC(C)[*:1] COc1ccc(cc1Br)CCC(=O)NNC(=O)N[*:1]
Cc1nnc(N2CCC[C@@H]2c2ccc(F)cc2)s1 Cc1nnc(s1)[*:1] Fc1ccc(cc1)[C@H]1CCCN1[*:1]
COc1ccc(C[NH+]2CCC(CNC(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)cc1 COc1ccc(cc1)[*:1] Cc1[nH]nc(C(=O)NCC2CC[NH+](CC2)C[*:1])c1[N+](=O)[O-]
COc1ccc(C[NH+]2CCC(CNC(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C[NH+]1CCC(CC1)CNC(=O)c1n[nH]c(C)c1[*:1]
COc1ccc(C[NH+]2CCC(CNC(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)cc1 Cc1[nH]nc(c1[N+](=O)[O-])[*:1] COc1ccc(cc1)C[NH+]1CCC(CC1)CNC(=O)[*:1]
COc1ccc(C[NH+]2CCC(CNC(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)cc1 COc1ccc(cc1)C[*:1] Cc1[nH]nc(C(=O)NCC2CC[NH+](CC2)[*:1])c1[N+](=O)[O-]
COc1cc(OC)c(NC(=O)N[C@@H](C)Cc2ccc(C)s2)cc1F Cc1ccc(s1)[*:1] COc1cc(OC)c(cc1F)NC(=O)N[C@@H](C)C[*:1]
COc1cc(OC)c(NC(=O)N[C@@H](C)Cc2ccc(C)s2)cc1F Cc1ccc(C[*:1])s1 COc1cc(OC)c(cc1F)NC(=O)N[C@@H](C)[*:1]
CC(C)[C@@H](NCC#N)c1ccc(C(C)(C)C)cc1 N#CC[*:1] CC(C)[C@@H](N[*:1])c1ccc(cc1)C(C)(C)C
CC(C)[C@@H](NCC#N)c1ccc(C(C)(C)C)cc1 CC(C)[*:1] CC(C)(C)c1ccc(cc1)[C@H](NCC#N)[*:1]
CC(C)[C@@H](NCC#N)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CC(C)[C@@H](NCC#N)c1ccc(cc1)[*:1]
CC(C)[C@@H](NCC#N)c1ccc(C(C)(C)C)cc1 N#CCN[*:1] CC(C)[C@@H](c1ccc(cc1)C(C)(C)C)[*:1]
COc1cccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)c1O FC(F)(F)CO[*:1] COc1cccc(C(=O)Nc2cccc(c2)[*:1])c1O
COc1cccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)c1O FC(F)(F)C[*:1] COc1cccc(C(=O)Nc2cccc(c2)O[*:1])c1O
COc1cccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)c1O FC(F)(F)[*:1] COc1cccc(C(=O)Nc2cccc(c2)OC[*:1])c1O
Cc1ccccc1C(=O)NCCC(=O)N1CCCCC[C@H]1c1ccco1 Cc1ccccc1[*:1] O=C(CCNC(=O)[*:1])N1CCCCC[C@H]1c1ccco1
Cc1ccccc1C(=O)NCCC(=O)N1CCCCC[C@H]1c1ccco1 c1coc(c1)[*:1] Cc1ccccc1C(=O)NCCC(=O)N1CCCCC[C@@H]1[*:1]
O=C(Oc1ccc(Cl)cc1Cl)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=C(Oc1ccc(Cl)cc1Cl)c1cccc(c1)[*:1]
COC[C@@H]1CN(Cc2nc(Cc3ccccc3C)no2)CCO1 COC[*:1] Cc1ccccc1Cc1noc(CN2CCO[C@@H](C2)[*:1])n1
COC[C@@H]1CN(Cc2nc(Cc3ccccc3C)no2)CCO1 Cc1ccccc1[*:1] COC[C@@H]1CN(CCO1)Cc1nc(C[*:1])no1
CSc1ccc2cc(C[NH2+]Cc3cccnc3)c(=O)n(C[C@H]3COc4ccccc4O3)c2c1 c1ccc2O[C@H](COc2c1)[*:1] CSc1ccc2cc(C[NH2+]Cc3cccnc3)c(=O)n(C[*:1])c2c1
CSc1ccc2cc(C[NH2+]Cc3cccnc3)c(=O)n(C[C@H]3COc4ccccc4O3)c2c1 c1cncc(c1)C[*:1] CSc1ccc2cc(C[NH2+][*:1])c(=O)n(C[C@H]3COc4ccccc4O3)c2c1
CSc1ccc2cc(C[NH2+]Cc3cccnc3)c(=O)n(C[C@H]3COc4ccccc4O3)c2c1 c1cncc(c1)[*:1] CSc1ccc2cc(C[NH2+]C[*:1])c(=O)n(C[C@H]3COc4ccccc4O3)c2c1
CSc1ccc2cc(C[NH2+]Cc3cccnc3)c(=O)n(C[C@H]3COc4ccccc4O3)c2c1 c1ccc2O[C@H](COc2c1)C[*:1] CSc1ccc2cc(C[NH2+]Cc3cccnc3)c(=O)n(c2c1)[*:1]
O=[N+]([O-])c1ccccc1CNc1ccccc1F O=[N+]([O-])[*:1] Fc1ccccc1NCc1ccccc1[*:1]
CC(C)C(=O)Nc1ccc(NC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)cc1 CC(C)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)NC(=O)[*:1])C(=O)N1CCCC[C@H]1C
CC(C)C(=O)Nc1ccc(NC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)cc1 CC(C)C(=O)N[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])C(=O)N1CCCC[C@H]1C
CC(C)C(=O)Nc1ccc(NC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)cc1 C[C@@H]1CCCCN1C(=O)[*:1] CC(C)C(=O)Nc1ccc(cc1)NC(=O)N[C@@H](C)[*:1]
O=C(NC1CCCCC1)N1CCN(C(=O)c2cc3cnsc3s2)CC1 C1CCC(CC1)[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1cc2cnsc2s1
CCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CCl)n1 c1csc(c1)[*:1] CCc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)CCl)[*:1]
CCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CCl)n1 O=C(CCl)N[*:1] CCc1cc(=O)[nH]c(n1)-n1nc(cc1[*:1])-c1cccs1
Cc1cccc(-n2c(Sc3ncccc3C#N)nnc2-c2ccccc2)c1 N#Cc1cccnc1S[*:1] Cc1cccc(c1)-n1c(nnc1[*:1])-c1ccccc1
Cc1cccc(-n2c(Sc3ncccc3C#N)nnc2-c2ccccc2)c1 N#Cc1cccnc1[*:1] Cc1cccc(c1)-n1c(nnc1-c1ccccc1)S[*:1]
Cc1cccc(-n2c(Sc3ncccc3C#N)nnc2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)-n1c(nnc1[*:1])Sc1ncccc1C#N
Cc1cccc(-n2c(Sc3ncccc3C#N)nnc2-c2ccccc2)c1 Cc1cccc(c1)[*:1] N#Cc1cccnc1Sc1nnc(-c2ccccc2)n1[*:1]
O=C([O-])c1[nH]ncc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 O=C([O-])[*:1] c1ccc2oc(nc2c1)[C@@H]1CCCN(Cc2cn[nH]c2[*:1])C1
Cc1ccc(OCC(=O)Nc2nn(C)c3c2[C@@H](C)CC(=O)N3)cc1 Cc1ccc(cc1)O[*:1] C[C@H]1CC(=O)Nc2c1c(nn2C)NC(=O)C[*:1]
Cc1ccc(OCC(=O)Nc2nn(C)c3c2[C@@H](C)CC(=O)N3)cc1 Cc1ccc(cc1)[*:1] C[C@H]1CC(=O)Nc2c1c(nn2C)NC(=O)CO[*:1]
C=CCOCC(F)(F)C(F)(F)C(F)(F)F C=CCOC[*:1] FC(F)(F)C(F)(F)C(F)(F)[*:1]
C=CCOCC(F)(F)C(F)(F)C(F)(F)F FC(F)(F)[*:1] C=CCOCC(F)(F)C(F)(F)[*:1]
C=CCOCC(F)(F)C(F)(F)C(F)(F)F C=CC[*:1] FC(F)(F)C(F)(F)C(F)(F)CO[*:1]
C=CCOCC(F)(F)C(F)(F)C(F)(F)F C=CCO[*:1] FC(F)(F)C(F)(F)C(F)(F)C[*:1]
CC(C)c1nsc(NCc2ccc(N3C[C@H](C)O[C@H](C)C3)[nH+]c2)n1 CC(C)c1nsc(n1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CN[*:1]
CC(C)c1nsc(NCc2ccc(N3C[C@H](C)O[C@H](C)C3)[nH+]c2)n1 CC(C)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNc1nc(ns1)[*:1]
COc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 COc1ccccc1C[*:1] O=C1C[C@H](CN1C1CC1)C(=O)N(Cc1cccnc1)[*:1]
COc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] COc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 c1cncc(c1)C[*:1] COc1ccccc1CN(C(=O)[C@@H]1CC(=O)N(C1)C1CC1)[*:1]
COc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 COc1ccccc1[*:1] O=C([C@@H]1CC(=O)N(C1)C1CC1)N(Cc1cccnc1)C[*:1]
COc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 c1cncc(c1)[*:1] COc1ccccc1CN(C[*:1])C(=O)[C@@H]1CC(=O)N(C1)C1CC1
COc1cccc(F)c1[C@H](C)NC(=O)N(CCO)Cc1ccccc1 c1ccc(cc1)C[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N(CCO)[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)N(CCO)Cc1ccccc1 c1ccc(cc1)[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N(CCO)C[*:1]
COc1cccc(F)c1[C@H](C)NC(=O)N(CCO)Cc1ccccc1 OCC[*:1] COc1cccc(F)c1[C@H](C)NC(=O)N(Cc1ccccc1)[*:1]
CC1=C(C(=O)OCc2ccccc2)C(=S)NNC1 c1ccc(cc1)[*:1] CC1CNNC(=S)C=1C(=O)OC[*:1]
C[C@@H]1C[C@@H](Sc2nc(-c3ccccc3)c[nH]2)C(=O)O1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](Sc2nc(c[nH]2)[*:1])C(=O)O1
COc1cccc(OCCN2CCN(Cc3cnc4cnccn34)CC2)c1 COc1cccc(c1)[*:1] c1cn2c(cnc2cn1)CN1CCN(CCO[*:1])CC1
COc1cccc(OCCN2CCN(Cc3cnc4cnccn34)CC2)c1 COc1cccc(c1)O[*:1] c1cn2c(cnc2cn1)CN1CCN(CC1)CC[*:1]
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)[*:1] Cc1ccc(cc1NC(=O)CS[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)SC[*:1] Cc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCOCC1
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ncn[nH]1 c1n[nH]c(n1)S[*:1] Cc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N1CCOCC1
[NH3+]Cc1ccc(N(C(=O)N[C@H]2CCOC2)C2CC2)cc1 C1CC1[*:1] [NH3+]Cc1ccc(cc1)N(C(=O)N[C@H]1CCOC1)[*:1]
[NH3+]Cc1ccc(N(C(=O)N[C@H]2CCOC2)C2CC2)cc1 C1C[C@@H](CO1)[*:1] [NH3+]Cc1ccc(cc1)N(C(=O)N[*:1])C1CC1
COc1ccc2cc(C(=O)Nc3cnn(-c4ccccc4)c3)[nH]c2c1 c1ccc(cc1)[*:1] COc1ccc2cc([nH]c2c1)C(=O)Nc1cnn(c1)[*:1]
NC(=O)[C@H]1COCCN1C(=O)[C@@H]1Cc2cccc(F)c2O1 NC(=O)[*:1] O=C([C@@H]1Cc2cccc(F)c2O1)N1CCOC[C@@H]1[*:1]
CCN(Cc1cccc(C)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccn1 c1ccc(nc1)[*:1] CCN(Cc1cccc(C)c1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
CCN(Cc1cccc(C)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccn1 Cc1cccc(c1)[*:1] CCN(C[*:1])C(=O)[C@@H]1CCCN1C(=O)c1ccccn1
CCN(Cc1cccc(C)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccn1 Cc1cccc(c1)C[*:1] CCN(C(=O)[C@@H]1CCCN1C(=O)c1ccccn1)[*:1]
NC(=O)CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 Brc1ccc(cc1)[*:1] NC(=O)CSc1nc2CCSc2c(=O)n1[*:1]
NC(=O)CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 NC(=O)[*:1] O=c1c2SCCc2nc(SC[*:1])n1-c1ccc(Br)cc1
NC(=O)CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 NC(=O)CS[*:1] O=c1c2SCCc2nc(n1-c1ccc(Br)cc1)[*:1]
NC(=O)CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 NC(=O)C[*:1] O=c1c2SCCc2nc(S[*:1])n1-c1ccc(Br)cc1
CCOc1cccc2sc(-n3nc(C)cc3NC(=O)/C=C/c3ccccc3)nc12 C(=C[*:1])c1ccccc1 CCOc1cccc2sc(nc12)-n1nc(C)cc1NC(=O)[*:1]
CCOc1cccc2sc(-n3nc(C)cc3NC(=O)/C=C/c3ccccc3)nc12 CCO[*:1] Cc1cc(NC(=O)/C=C/c2ccccc2)n(n1)-c1nc2c(cccc2s1)[*:1]
CCOc1cccc2sc(-n3nc(C)cc3NC(=O)/C=C/c3ccccc3)nc12 c1ccc(cc1)[*:1] CCOc1cccc2sc(nc12)-n1nc(C)cc1NC(=O)C=C[*:1]
CNC(=O)C[NH+]1CCC(CN(C)C(=O)NC2CCC(C)(C)CC2)CC1 CC1(C)CCC(CC1)[*:1] CNC(=O)C[NH+]1CCC(CC1)CN(C)C(=O)N[*:1]
CNC(=O)C[NH+]1CCC(CN(C)C(=O)NC2CCC(C)(C)CC2)CC1 CNC(=O)C[*:1] CN(CC1CC[NH+](CC1)[*:1])C(=O)NC1CCC(C)(C)CC1
CNC(=O)C[NH+]1CCC(CN(C)C(=O)NC2CCC(C)(C)CC2)CC1 CNC(=O)[*:1] CN(CC1CC[NH+](CC1)C[*:1])C(=O)NC1CCC(C)(C)CC1
CSC[C@H](C)N(C)C(=O)NCc1ncc(C)s1 CSC[*:1] Cc1cnc(CNC(=O)N(C)[C@@H](C)[*:1])s1
CSC[C@H](C)N(C)C(=O)NCc1ncc(C)s1 CSC[C@H](C)[*:1] Cc1cnc(CNC(=O)N(C)[*:1])s1
CC(C)NC(=O)NC(=O)CSc1nc2ccccc2s1 CC(C)[*:1] O=C(CSc1nc2ccccc2s1)NC(=O)N[*:1]
O=C(Nc1ccc(-n2cncn2)cc1)C12CC3CC(CC(C3)C1)C2 c1ncn(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])C12CC3CC(CC(C3)C1)C2
COc1ccc(CN2CCOC[C@H]2CC(C)C)s1 CC(C)[*:1] COc1ccc(CN2CCOC[C@H]2C[*:1])s1
COc1ccc(CN2CCOC[C@H]2CC(C)C)s1 CC(C)C[*:1] COc1ccc(CN2CCOC[C@@H]2[*:1])s1
C=CCn1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1 C=CC[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1nnn(n1)[*:1]
O=[N+]([O-])c1cc(CO)ccc1Sc1cccc(F)c1 O=[N+]([O-])[*:1] OCc1ccc(Sc2cccc(F)c2)c(c1)[*:1]
CCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(C)cc3)cc2s1 Cc1ccc(cc1)[*:1] CCC(=O)Nc1nc2ccc(cc2s1)CCC(=O)N[*:1]
CCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(C)cc3)cc2s1 CCC(=O)N[*:1] Cc1ccc(cc1)NC(=O)CCc1ccc2nc(sc2c1)[*:1]
[NH3+]C1(c2ccc(Cl)c(Cl)c2)CC1 [NH3+]C1(CC1)[*:1] Clc1ccc(cc1Cl)[*:1]
COc1ccc(-n2cnnc2SCC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc1 C1CC1[*:1] COc1ccc(cc1)-n1cnnc1SCC(=O)N([C@@H]1CCCc2ccccc21)[*:1]
COc1ccc(-n2cnnc2SCC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nncn1[*:1])N(C1CC1)[C@@H]1CCCc2ccccc21
C/C(=C/C(=O)N(C)Cc1cccc(C(N)=O)c1)c1ccc(F)cc1 NC(=O)[*:1] C/C(=C/C(=O)N(C)Cc1cccc(c1)[*:1])c1ccc(F)cc1
C/C(=C/C(=O)N(C)Cc1cccc(C(N)=O)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(=CC(=O)N(C)Cc1cccc(c1)C(N)=O)[*:1]
CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O CNC(=O)[*:1] O=C1c2ccccc2S(=O)(=O)c2cc(ccc21)[*:1]
COc1ccc(CN(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1O O=[N+]([O-])[*:1] COc1ccc(cc1O)CN(C)C(=O)Nc1c(C)ccc(c1C)[*:1]
Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)Nc3cc(F)ccc3F)cc21 Fc1ccc(F)c(c1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)N[*:1])N1CCOCC1
Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)Nc3cc(F)ccc3F)cc21 C1CN(CCO1)[*:1] Cn1c(=O)n(C)c2cc(c(cc21)NC(=O)Nc1cc(F)ccc1F)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)C(=O)NCC[S@@](C)=O)c2)n1 CCc1noc(n1)[*:1] Cc1ccc(cc1NC(=O)C(=O)NCC[S@@](C)=O)[*:1]
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H]3C[C@@H]3C)cc2)CC1 C[C@H]1C[C@H]1NC(=O)N[*:1] CC[NH+]1CCN(CC1)C(=O)Cc1ccc(cc1)[*:1]
CC(=O)c1csc(NC(=O)Cc2cccc(OCC#N)c2)n1 CC(=O)[*:1] N#CCOc1cccc(c1)CC(=O)Nc1nc(cs1)[*:1]
CC(=O)c1csc(NC(=O)Cc2cccc(OCC#N)c2)n1 N#CCO[*:1] CC(=O)c1csc(n1)NC(=O)Cc1cccc(c1)[*:1]
CC(=O)c1csc(NC(=O)Cc2cccc(OCC#N)c2)n1 N#CC[*:1] CC(=O)c1csc(n1)NC(=O)Cc1cccc(c1)O[*:1]
C[NH2+]C[C@H](CCCS(C)(=O)=O)c1cccc(F)c1 CS(=O)(=O)C[*:1] C[NH2+]C[C@H](CC[*:1])c1cccc(F)c1
C[NH2+]C[C@H](CCCS(C)(=O)=O)c1cccc(F)c1 CS(=O)(=O)CC[*:1] C[NH2+]C[C@H](C[*:1])c1cccc(F)c1
C[NH2+]C[C@H](CCCS(C)(=O)=O)c1cccc(F)c1 CS(=O)(=O)[*:1] C[NH2+]C[C@H](CCC[*:1])c1cccc(F)c1
N=C1S/C(=C\c2cc(Cl)ccc2O)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] N=C1S/C(=C\c2cc(Cl)ccc2O)C(=O)N1[*:1]
COc1cc(OC)cc(C(=O)NCCn2c(-c3ccc(C)cc3)nc3ccccc32)c1 Cc1ccc(cc1)[*:1] COc1cc(cc(c1)C(=O)NCCn1c(nc2ccccc21)[*:1])OC
COc1cc(OC)cc(C(=O)NCCn2c(-c3ccc(C)cc3)nc3ccccc32)c1 COc1cc(cc(c1)[*:1])OC Cc1ccc(cc1)-c1nc2ccccc2n1CCNC(=O)[*:1]
CCC(CC)NC(=O)NCc1cc[nH+]c(N2CC[NH+](C)CC2)c1 CCC(CC)[*:1] C[NH+]1CCN(CC1)c1cc(cc[nH+]1)CNC(=O)N[*:1]
Cc1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)nc(C(C)C)n1 CS(=O)(=O)C[*:1] Cc1cc(nc(n1)C(C)C)N1CCN(CC1)C(=O)C[*:1]
Cc1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)nc(C(C)C)n1 CS(=O)(=O)[*:1] Cc1cc(nc(n1)C(C)C)N1CCN(CC1)C(=O)CC[*:1]
Cc1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)nc(C(C)C)n1 CC(C)[*:1] Cc1cc(nc(n1)[*:1])N1CCN(CC1)C(=O)CCS(C)(=O)=O
Cc1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)nc(C(C)C)n1 CS(=O)(=O)CC[*:1] Cc1cc(nc(n1)C(C)C)N1CCN(CC1)C(=O)[*:1]
C[C@]1(CO)CCC[C@H]1NC(=O)NCCNC(=O)c1ccco1 c1coc(c1)[*:1] C[C@]1(CO)CCC[C@H]1NC(=O)NCCNC(=O)[*:1]
CN1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1[C@@H](C(=O)c2ccccc2)[C@@H]1[*:1]
CN1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 c1ccc(cc1)[*:1] CN1[C@@H](C(=O)[*:1])[C@H]1c1ccccc1
Cc1cc(C)c(C(=O)NC[C@H](C)CC2(C)OCCO2)c(=O)[nH]1 CC1(C[*:1])OCCO1 Cc1cc(C)c(C(=O)NC[C@H](C)[*:1])c(=O)[nH]1
Cc1cc(C)c(C(=O)NC[C@H](C)CC2(C)OCCO2)c(=O)[nH]1 CC1(OCCO1)[*:1] Cc1cc(C)c(C(=O)NC[C@H](C)C[*:1])c(=O)[nH]1
CCC(CC)[C@@H](NC(=O)N1CCSCC1)c1cccs1 c1csc(c1)[*:1] CCC(CC)[C@@H](NC(=O)N1CCSCC1)[*:1]
CCC(CC)[C@@H](NC(=O)N1CCSCC1)c1cccs1 CCC(CC)[*:1] O=C(N[C@@H](c1cccs1)[*:1])N1CCSCC1
C[C@H]1CN(C(=O)c2cccc(OCC(F)F)n2)CCO1 FC(F)C[*:1] C[C@H]1CN(CCO1)C(=O)c1cccc(n1)O[*:1]
C[C@H]1CN(C(=O)c2cccc(OCC(F)F)n2)CCO1 FC(F)CO[*:1] C[C@H]1CN(CCO1)C(=O)c1cccc(n1)[*:1]
C[C@H]1CN(C(=O)c2cccc(OCC(F)F)n2)CCO1 FC(F)[*:1] C[C@H]1CN(CCO1)C(=O)c1cccc(n1)OC[*:1]
Cc1ccc(Cc2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)cc1C Cc1ccc(cc1C)C[*:1] O=C(Nc1nnc(o1)[*:1])[C@H]1CCCCN1S(=O)(=O)c1cccs1
Cc1ccc(Cc2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)Cc1nnc(NC(=O)[C@H]2CCCCN2S(=O)(=O)[*:1])o1
Cc1ccc(Cc2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)cc1C Cc1ccc(cc1C)[*:1] O=C(Nc1nnc(C[*:1])o1)[C@H]1CCCCN1S(=O)(=O)c1cccs1
COC(=O)c1ccccc1NC(=O)CSc1ncnc2nc[nH]c12 COC(=O)[*:1] O=C(CSc1ncnc2nc[nH]c12)Nc1ccccc1[*:1]
[NH3+]C[C@@H]1CCCC[C@H]1CC(=O)[O-] O=C([O-])C[*:1] [NH3+]C[C@@H]1CCCC[C@@H]1[*:1]
[NH3+]C[C@@H]1CCCC[C@H]1CC(=O)[O-] O=C([O-])[*:1] [NH3+]C[C@@H]1CCCC[C@H]1C[*:1]
Cc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)o1 FC(F)(F)[*:1] Cc1nc(C(=O)Nc2ccc(cc2)[*:1])c(C)o1
CCN(C(=O)c1cnc2ccc(C)cn12)[C@@H]1CCN(c2ccccc2)C1=O c1ccc(cc1)[*:1] CCN(C(=O)c1cnc2ccc(C)cn12)[C@@H]1CCN(C1=O)[*:1]
C[C@@]1(C(=O)NC[C@@H]2CCCO2)Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(Cl)cc1 C1CO[C@@H](C1)[*:1] C[C@]1(Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(Cl)cc1)C(=O)NC[*:1]
C[C@@]1(C(=O)NC[C@@H]2CCCO2)Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] C[C@]1(Cn2c(cc3ccccc32)C(=O)N1C[*:1])C(=O)NC[C@@H]1CCCO1
C[C@@]1(C(=O)NC[C@@H]2CCCO2)Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(Cl)cc1 Clc1ccc(cc1)CC[*:1] C[C@]1(Cn2c(cc3ccccc32)C(=O)N1[*:1])C(=O)NC[C@@H]1CCCO1
C[C@@]1(C(=O)NC[C@@H]2CCCO2)Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@]1(Cn2c(cc3ccccc32)C(=O)N1CC[*:1])C(=O)NC[C@@H]1CCCO1
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccncc1 C[C@@H](c1ccncc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccncc1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1])c1ccncc1
C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1)[*:1]
O=C(COc1ccccc1F)/N=C1/N=N[C@H](c2ccco2)S1 Fc1ccccc1[*:1] O=C(CO[*:1])/N=C1/N=N[C@@H](S1)c1ccco1
O=C(COc1ccccc1F)/N=C1/N=N[C@H](c2ccco2)S1 c1coc(c1)[*:1] O=C(COc1ccccc1F)/N=C1/N=N[C@H](S1)[*:1]
CCc1ccccc1N1C[C@H](c2nnc(NC(=O)CS(=O)(=O)c3ccccc3)s2)CC1=O c1ccc(cc1)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)c1nnc(NC(=O)CS(=O)(=O)[*:1])s1
CCc1ccccc1N1C[C@H](c2nnc(NC(=O)CS(=O)(=O)c3ccccc3)s2)CC1=O O=S(=O)(c1ccccc1)[*:1] CCc1ccccc1N1C[C@@H](CC1=O)c1nnc(NC(=O)C[*:1])s1
CCc1ccccc1N1C[C@H](c2nnc(NC(=O)CS(=O)(=O)c3ccccc3)s2)CC1=O O=S(=O)(C[*:1])c1ccccc1 CCc1ccccc1N1C[C@@H](CC1=O)c1nnc(NC(=O)[*:1])s1
CCc1ccccc1N1C[C@H](c2nnc(NC(=O)CS(=O)(=O)c3ccccc3)s2)CC1=O CCc1ccccc1[*:1] O=C(CS(=O)(=O)c1ccccc1)Nc1nnc(s1)[C@@H]1CC(=O)N(C1)[*:1]
C[C@H](N[C@@H](C)c1nc2ccc(Cl)cc2n1C)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@H](N[C@@H](C)[*:1])c1nc2ccc(Cl)cc2n1C
CCN(C(=O)Nc1ccccc1N(C)C)[C@H](C)c1cccc(OC)c1 CN(C)[*:1] CCN(C(=O)Nc1ccccc1[*:1])[C@H](C)c1cccc(c1)OC
CCN(C(=O)Nc1ccccc1N(C)C)[C@H](C)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(C(=O)Nc1ccccc1N(C)C)[C@H](C)[*:1]
Cc1noc(C)c1NC(=O)c1cc(NC(=O)Cc2ccccc2)n(C)n1 c1ccc(cc1)C[*:1] Cc1noc(C)c1NC(=O)c1cc(NC(=O)[*:1])n(C)n1
Cc1noc(C)c1NC(=O)c1cc(NC(=O)Cc2ccccc2)n(C)n1 Cc1noc(C)c1[*:1] Cn1nc(cc1NC(=O)Cc1ccccc1)C(=O)N[*:1]
Cc1noc(C)c1NC(=O)c1cc(NC(=O)Cc2ccccc2)n(C)n1 c1ccc(cc1)[*:1] Cc1noc(C)c1NC(=O)c1cc(NC(=O)C[*:1])n(C)n1
COCCN(C)c1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 COCC[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N(C)[*:1]
COCCN(C)c1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 COCCN(C)[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)[*:1]
COCCN(C)c1cc[nH+]c(CN2CCN(C(C)=O)CC2)c1 COC[*:1] CC(=O)N1CCN(CC1)Cc1cc(cc[nH+]1)N(C)C[*:1]
CCOC(=O)c1c(NC(=O)c2cc(C)nn2C(C)C)sc2c1CCN(C(C)=O)C2 Cc1cc(n(n1)C(C)C)[*:1] CCOC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)C(C)=O
CCOC(=O)c1c(NC(=O)c2cc(C)nn2C(C)C)sc2c1CCN(C(C)=O)C2 CC(C)[*:1] CCOC(=O)c1c(NC(=O)c2cc(C)nn2[*:1])sc2CN(CCc21)C(C)=O
CCOC(=O)c1c(NC(=O)c2cc(C)nn2C(C)C)sc2c1CCN(C(C)=O)C2 CCOC(=O)[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)c1cc(C)nn1C(C)C)c2[*:1]
FC(F)(F)c1ccc(C[NH+](C2CC2)C2CC[NH+](Cc3ccccc3)CC2)cn1 c1ccc(cc1)C[*:1] FC(F)(F)c1ccc(cn1)C[NH+](C1CC1)C1CC[NH+](CC1)[*:1]
FC(F)(F)c1ccc(C[NH+](C2CC2)C2CC[NH+](Cc3ccccc3)CC2)cn1 FC(F)(F)[*:1] c1ccc(cc1)C[NH+]1CCC(CC1)[NH+](Cc1ccc(nc1)[*:1])C1CC1
FC(F)(F)c1ccc(C[NH+](C2CC2)C2CC[NH+](Cc3ccccc3)CC2)cn1 C1CC1[*:1] FC(F)(F)c1ccc(cn1)C[NH+](C1CC[NH+](CC1)Cc1ccccc1)[*:1]
FC(F)(F)c1ccc(C[NH+](C2CC2)C2CC[NH+](Cc3ccccc3)CC2)cn1 c1ccc(cc1)[*:1] FC(F)(F)c1ccc(cn1)C[NH+](C1CC1)C1CC[NH+](CC1)C[*:1]
CN(CCN1CCOCC1)C(=O)c1c(F)cc(Br)cc1F C1CN(CCO1)[*:1] CN(CC[*:1])C(=O)c1c(F)cc(Br)cc1F
CN(CCN1CCOCC1)C(=O)c1c(F)cc(Br)cc1F C1CN(CCO1)C[*:1] CN(C[*:1])C(=O)c1c(F)cc(Br)cc1F
Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1ccccc1 c1ccc(cc1)[*:1] Nc1c(C(=O)N[*:1])c2nc3ccccc3nc2n1-c1ccccc1
Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1ccccc1 c1ccc(cc1)[*:1] Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1[*:1]
Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1ccccc1 O=C(Nc1ccccc1)[*:1] Nc1c(c2nc3ccccc3nc2n1-c1ccccc1)[*:1]
C[C@H](c1ccccc1Cl)N(C)C(=O)CNC(=O)c1ccc(Br)o1 Brc1ccc(o1)[*:1] C[C@H](c1ccccc1Cl)N(C)C(=O)CNC(=O)[*:1]
C[C@H](c1ccccc1Cl)N(C)C(=O)CNC(=O)c1ccc(Br)o1 Clc1ccccc1[*:1] C[C@H](N(C)C(=O)CNC(=O)c1ccc(Br)o1)[*:1]
CCN(CC)C(=O)C[C@@H](C[NH3+])N(C)C(C)C CC(C)[*:1] CCN(CC)C(=O)C[C@@H](C[NH3+])N(C)[*:1]
CCN(CC)C(=O)C[C@@H](C[NH3+])N(C)C(C)C CC(C)N(C)[*:1] CCN(CC)C(=O)C[C@@H](C[NH3+])[*:1]
Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] Cc1ccc(cc1NS(=O)(=O)[*:1])N1CCCS1(=O)=O
Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(Cl)s1 O=S1(=O)CCCN1[*:1] Cc1ccc(cc1NS(=O)(=O)c1ccc(Cl)s1)[*:1]
O=C1CSc2ccc(C(=O)NCc3cccc(OCC4CCCCC4)c3)nc2N1 C1CCC(CC1)CO[*:1] O=C1CSc2ccc(nc2N1)C(=O)NCc1cccc(c1)[*:1]
O=C1CSc2ccc(C(=O)NCc3cccc(OCC4CCCCC4)c3)nc2N1 C1CCC(CC1)C[*:1] O=C1CSc2ccc(nc2N1)C(=O)NCc1cccc(c1)O[*:1]
O=C1CSc2ccc(C(=O)NCc3cccc(OCC4CCCCC4)c3)nc2N1 C1CCC(CC1)[*:1] O=C1CSc2ccc(nc2N1)C(=O)NCc1cccc(c1)OC[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)c1cccc2cc[nH]c12 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)c1cccc2cc[nH]c12)[*:1]
COc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1 COc1ccccc1[*:1] O=C(CSc1nnc(-c2cccs2)n1[*:1])Nc1ccccc1
COc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1 O=C(Nc1ccccc1)[*:1] COc1ccccc1-n1c(nnc1-c1cccs1)SC[*:1]
COc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1 c1ccc(cc1)[*:1] COc1ccccc1-n1c(nnc1-c1cccs1)SCC(=O)N[*:1]
COc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1 c1csc(c1)[*:1] COc1ccccc1-n1c(nnc1[*:1])SCC(=O)Nc1ccccc1
CCS(=O)(=O)N1CCC([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)CC1 c1ccc(cc1)[*:1] CCS(=O)(=O)N1CCC(CC1)[NH2+]Cc1c(C)nn(c1C)[*:1]
CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](C)CC1 CNC(=O)NC(=O)[*:1] C[C@@H]1CCCN(CC1)[C@@H](c1ccccc1)[*:1]
CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](C)CC1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)[C@H](N1CCC[C@@H](C)CC1)[*:1]
C[C@H](OC(=O)c1ccccn1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] C[C@H](OC(=O)c1ccccn1)C(=O)Nc1ncc(cc1Cl)[*:1]
C[C@H](OC(=O)c1ccccn1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl c1ccc(nc1)[*:1] C[C@H](OC(=O)[*:1])C(=O)Nc1ncc(cc1Cl)C(F)(F)F
Cc1n[nH]c(C)c1CCOC(=O)/C=C/c1ccnc(Cl)c1 Clc1cc(ccn1)[*:1] Cc1n[nH]c(C)c1CCOC(=O)C=C[*:1]
Cc1n[nH]c(C)c1CCOC(=O)/C=C/c1ccnc(Cl)c1 Cc1n[nH]c(C)c1[*:1] O=C(/C=C/c1ccnc(Cl)c1)OCC[*:1]
COC(=O)[C@H]1CS(=O)(=O)C[C@H](c2ccc(C)c(F)c2)N1 COC(=O)[*:1] Cc1ccc(cc1F)[C@H]1CS(=O)(=O)C[C@@H](N1)[*:1]
CCOc1ccc(NC(=O)NCCOc2ccccc2)cc1Cl c1ccc(cc1)[*:1] CCOc1ccc(cc1Cl)NC(=O)NCCO[*:1]
CCOc1ccc(NC(=O)NCCOc2ccccc2)cc1Cl c1ccc(cc1)O[*:1] CCOc1ccc(cc1Cl)NC(=O)NCC[*:1]
CCOc1ccc(NC(=O)NCCOc2ccccc2)cc1Cl CCO[*:1] O=C(NCCOc1ccccc1)Nc1ccc(c(Cl)c1)[*:1]
C1CC[NH2+][C@@](C2CC2)([C@@H]2CCOC3(CCC3)C2)CC1 C1CC1[*:1] C1CC[NH2+][C@](CC1)([C@@H]1CCOC2(CCC2)C1)[*:1]
Cc1cccc(NC(=O)[C@@H](C)NC(=O)c2cccs2)c1 c1csc(c1)[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)NC(=O)[*:1]
Cc1cccc(OC2CN(C(=O)C3(N4CCOCC4)CCCCC3)C2)c1 Cc1cccc(c1)O[*:1] O=C(N1CC(C1)[*:1])C1(CCCCC1)N1CCOCC1
Cc1cccc(OC2CN(C(=O)C3(N4CCOCC4)CCCCC3)C2)c1 C1CN(CCO1)[*:1] Cc1cccc(c1)OC1CN(C1)C(=O)C1(CCCCC1)[*:1]
Cc1cccc(OC2CN(C(=O)C3(N4CCOCC4)CCCCC3)C2)c1 Cc1cccc(c1)[*:1] O=C(N1CC(C1)O[*:1])C1(CCCCC1)N1CCOCC1
O=C([C@@H]1CCCO1)N1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 Fc1ccc(cc1)O[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)Cc1nc(C[*:1])no1
O=C([C@@H]1CCCO1)N1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 Fc1ccc(cc1)[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)Cc1nc(CO[*:1])no1
O=C([C@@H]1CCCO1)N1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 Fc1ccc(cc1)OC[*:1] O=C([C@@H]1CCCO1)N1CCN(CC1)Cc1nc(no1)[*:1]
Fc1ccc(SCc2nc(-c3cnccn3)no2)cc1F c1cnc(cn1)[*:1] Fc1ccc(cc1F)SCc1nc(no1)[*:1]
N#C/C(=C\c1ccc(OC(F)F)cc1)C1[NH+]=c2ccccc2=[NH+]1 FC(F)[*:1] N#C/C(=C\c1ccc(cc1)O[*:1])C1[NH+]=c2ccccc2=[NH+]1
N#C/C(=C\c1ccc(OC(F)F)cc1)C1[NH+]=c2ccccc2=[NH+]1 FC(F)O[*:1] N#C/C(=C\c1ccc(cc1)[*:1])C1[NH+]=c2ccccc2=[NH+]1
COCc1ccc(CNC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 COCc1ccc(cc1)[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)NC[*:1]
COCc1ccc(CNC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 COC[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)NCc1ccc(cc1)[*:1]
COc1cc(C[NH+](C)Cc2ccc(O)c([N+](=O)[O-])c2)ccc1SC O=[N+]([O-])[*:1] COc1cc(ccc1SC)C[NH+](C)Cc1ccc(O)c(c1)[*:1]
CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1 CC(=O)N[*:1] CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)[*:1]
N#Cc1ccncc1N1CCC([C@@H](O)C(F)(F)F)CC1 FC(F)(F)[*:1] N#Cc1ccncc1N1CCC(CC1)[C@@H](O)[*:1]
N#Cc1ccncc1N1CCC([C@@H](O)C(F)(F)F)CC1 O[C@@H](C(F)(F)F)[*:1] N#Cc1ccncc1N1CCC(CC1)[*:1]
CCC(CC)NC(=O)C(=O)NNC(=O)c1sc2ccc(F)cc2c1C CCC(CC)[*:1] Cc1c(sc2ccc(F)cc12)C(=O)NNC(=O)C(=O)N[*:1]
CCn1nccc1[C@@H](C)[NH2+]Cc1cc(-c2cccs2)n[nH]1 CCn1nccc1[*:1] C[C@@H]([NH2+]Cc1cc(n[nH]1)-c1cccs1)[*:1]
CCn1nccc1[C@@H](C)[NH2+]Cc1cc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] CCn1nccc1[C@@H](C)[NH2+]Cc1cc(n[nH]1)[*:1]
Cc1c(C(=O)Nc2ccc(Oc3cccnc3)nc2)oc2ccccc12 c1cncc(c1)O[*:1] Cc1c(oc2ccccc12)C(=O)Nc1ccc(nc1)[*:1]
Cc1c(C(=O)Nc2ccc(Oc3cccnc3)nc2)oc2ccccc12 c1cncc(c1)[*:1] Cc1c(oc2ccccc12)C(=O)Nc1ccc(nc1)O[*:1]
CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3F)cc2Cl)c1 Fc1ccccc1[*:1] CS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1Cl)NC(=O)[C@H]1C[C@H]1[*:1]
CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3F)cc2Cl)c1 CS(=O)(=O)c1cccc(c1)[*:1] O=C(Nc1ccc(NC(=O)[*:1])c(Cl)c1)[C@H]1C[C@@H]1c1ccccc1F
CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3F)cc2Cl)c1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1Cl)NC(=O)[C@H]1C[C@@H]1c1ccccc1F)c1cccc(c1)[*:1]
COc1cccc([C@@H](C)CC(=O)NC[C@@]2(O)CCCc3ccccc32)c1 COc1cccc(c1)[*:1] C[C@@H](CC(=O)NC[C@@]1(O)CCCc2ccccc21)[*:1]
CCCCC[n+]1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 CCCCC[*:1] O=C([O-])c1ccccc1C(=O)Nc1cc[n+](cc1)[*:1]
CCCCC[n+]1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 CCCC[*:1] O=C([O-])c1ccccc1C(=O)Nc1cc[n+](cc1)C[*:1]
CCCCC[n+]1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 O=C([O-])[*:1] CCCCC[n+]1ccc(cc1)NC(=O)c1ccccc1[*:1]
CCCCC[n+]1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 CCC[*:1] O=C([O-])c1ccccc1C(=O)Nc1cc[n+](cc1)CC[*:1]
CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(c(F)c1)[*:1]
CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(-n2cncn2)c(F)c1 CC(C)O[*:1] O=C(Nc1ccc(c(F)c1)-n1cncn1)c1ccc(Br)cc1[*:1]
CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(-n2cncn2)c(F)c1 CC(C)[*:1] O=C(Nc1ccc(c(F)c1)-n1cncn1)c1ccc(Br)cc1O[*:1]
O=C(NO[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CCCC1 c1ccc(cc1)C[*:1] O=C(NO[C@@H]1CCCN(C1=O)[*:1])C1CCCC1
O=C(NO[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CCCC1 c1ccc(cc1)[*:1] O=C(NO[C@@H]1CCCN(C[*:1])C1=O)C1CCCC1
O=C(NO[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CCCC1 C1CCC(C1)[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)ONC(=O)[*:1]
CCc1noc(-c2cccc(NC(=O)COc3ccccc3F)c2)n1 Fc1ccccc1O[*:1] CCc1noc(n1)-c1cccc(c1)NC(=O)C[*:1]
CCc1noc(-c2cccc(NC(=O)COc3ccccc3F)c2)n1 CCc1noc(n1)[*:1] O=C(COc1ccccc1F)Nc1cccc(c1)[*:1]
CCc1noc(-c2cccc(NC(=O)COc3ccccc3F)c2)n1 Fc1ccccc1[*:1] CCc1noc(n1)-c1cccc(c1)NC(=O)CO[*:1]
NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 NC(=O)[*:1] O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C(=O)NC[C@H](C)C#N CC1CCN(CC1)C(=O)[*:1] Cc1cc(ccc1NC(=O)C(=O)NC[C@H](C)C#N)[*:1]
Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O Clc1ccc(cc1)[*:1] Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCN(C1=O)[*:1]
CCCN1CC[NH+]([C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 Cc1ccc(C)c(c1)[*:1] CCCN1CC[NH+](CC1)[C@@H](C(=O)N[*:1])c1ccccc1
CCCN1CC[NH+]([C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 CCC[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(CC1)[*:1]
CCCN1CC[NH+]([C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCCN1CC[NH+](CC1)[C@@H](C(=O)Nc1cc(C)ccc1C)[*:1]
CC[C@@H](c1cccnc1)N(C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 c1cncc(c1)[*:1] CC[C@@H](N(C)Cc1cc(=O)c2cccc(Cl)c2[nH]1)[*:1]
Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)-c1nnc(S[C@H](C)C(=O)Nc2cccc(c2)[*:1])n1N
Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1N)[*:1])C(=O)Nc1cccc(c1)[N+](=O)[O-]
Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(cc1)-c1nnc(S[C@H](C)C(=O)N[*:1])n1N
COc1ccc2cc([C@H](C)C(=O)NCC(=O)NC(C)(C)C)ccc2c1 CC(C)(C)NC(=O)C[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C(=O)N[*:1]
COc1ccc2cc([C@H](C)C(=O)NCC(=O)NC(C)(C)C)ccc2c1 CC(C)(C)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCC(=O)N[*:1]
COc1ccc2cc([C@H](C)C(=O)NCC(=O)NC(C)(C)C)ccc2c1 CC(C)(C)NC(=O)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NC[*:1]
Cc1sc2nc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n(C)c(=O)c2c1C O=[N+]([O-])[*:1] Cc1sc2nc(S[C@H](C)C(=O)Nc3ccccc3[*:1])n(C)c(=O)c2c1C
Cc1sc2nc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n(C)c(=O)c2c1C O=[N+]([O-])c1ccccc1[*:1] Cc1sc2nc(S[C@H](C)C(=O)N[*:1])n(C)c(=O)c2c1C
CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@H]2[*:1])N1CCOCC1
CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC1(C)CC(=O)C2=C(C1)N(C(N)=C(C#N)[C@@H]2c1cccc(c1)[*:1])N1CCOCC1
Cc1ncccc1NC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C Cc1ncccc1[*:1] CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)N[*:1]
Cc1ncccc1NC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C CC(C)(C)[*:1] Cc1ncccc1NC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)O[*:1]
Cc1ncccc1NC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] Cc1ncccc1NC(=O)N[C@@H]1CCC[C@@H]1C[*:1]
Cc1ccccc1-c1nnc(NC(=O)Cc2cccs2)s1 c1csc(c1)[*:1] Cc1ccccc1-c1nnc(NC(=O)C[*:1])s1
Cc1ccccc1-c1nnc(NC(=O)Cc2cccs2)s1 Cc1ccccc1[*:1] O=C(Cc1cccs1)Nc1nnc(s1)[*:1]
Cc1ccccc1-c1nnc(NC(=O)Cc2cccs2)s1 c1csc(c1)C[*:1] Cc1ccccc1-c1nnc(NC(=O)[*:1])s1
Cc1nc(C)c(C(=O)NC[C@H]2COc3ccccc3O2)s1 Cc1nc(C)c(s1)[*:1] O=C(NC[C@H]1COc2ccccc2O1)[*:1]
CC1(C)[C@]2(C(=O)Nc3ccccc3F)CC[C@@]1(C)C(=O)[C@@H]2Br Fc1ccccc1[*:1] CC1(C)[C@@]2(CC[C@@]1(C)C(=O)[C@@H]2Br)C(=O)N[*:1]
COc1ccccc1[C@H](NC(=O)NCc1nc(C)c(C)o1)C(C)(C)C Cc1nc(C[*:1])oc1C COc1ccccc1[C@H](NC(=O)N[*:1])C(C)(C)C
COc1ccccc1[C@H](NC(=O)NCc1nc(C)c(C)o1)C(C)(C)C COc1ccccc1[*:1] Cc1nc(CNC(=O)N[C@H](C(C)(C)C)[*:1])oc1C
COc1ccccc1[C@H](NC(=O)NCc1nc(C)c(C)o1)C(C)(C)C CC(C)(C)[*:1] COc1ccccc1[C@H](NC(=O)NCc1nc(C)c(C)o1)[*:1]
COc1ccccc1[C@H](NC(=O)NCc1nc(C)c(C)o1)C(C)(C)C Cc1nc(oc1C)[*:1] COc1ccccc1[C@H](NC(=O)NC[*:1])C(C)(C)C
Cc1cc(C(=O)Nc2ncccc2OCc2ccncc2)ccc1[N+](=O)[O-] c1cc(ccn1)C[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1ncccc1O[*:1]
Cc1cc(C(=O)Nc2ncccc2OCc2ccncc2)ccc1[N+](=O)[O-] c1cc(ccn1)CO[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1ncccc1[*:1]
Cc1cc(C(=O)Nc2ncccc2OCc2ccncc2)ccc1[N+](=O)[O-] c1cc(ccn1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1ncccc1OC[*:1]
Cc1cc(C(=O)Nc2ncccc2OCc2ccncc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)Nc1ncccc1OCc1ccncc1
O=C(c1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 c1ccc2c(c[nH]c2c1)[*:1] O=C(N1CCC[C@@H]1c1ccc2OCCCOc2c1)[*:1]
CCCNC(=O)CSCc1nc(C2CC2)no1 CCC[*:1] O=C(CSCc1nc(no1)C1CC1)N[*:1]
CCCNC(=O)CSCc1nc(C2CC2)no1 C1CC1[*:1] CCCNC(=O)CSCc1nc(no1)[*:1]
C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3ccccn3)c2C(=O)N1C1CC1 C1CC1[*:1] C[C@]1(Cn2cnc(C(=O)NCc3ccccn3)c2C(=O)N1[*:1])C(=O)NCc1ccccc1Cl
C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3ccccn3)c2C(=O)N1C1CC1 c1ccc(C[*:1])nc1 C[C@]1(Cn2cnc(C(=O)N[*:1])c2C(=O)N1C1CC1)C(=O)NCc1ccccc1Cl
C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3ccccn3)c2C(=O)N1C1CC1 Clc1ccccc1[*:1] C[C@]1(Cn2cnc(C(=O)NCc3ccccn3)c2C(=O)N1C1CC1)C(=O)NC[*:1]
C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3ccccn3)c2C(=O)N1C1CC1 O=C(NCc1ccccc1Cl)[*:1] C[C@]1(Cn2cnc(C(=O)NCc3ccccn3)c2C(=O)N1C1CC1)[*:1]
C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3ccccn3)c2C(=O)N1C1CC1 Clc1ccccc1C[*:1] C[C@]1(Cn2cnc(C(=O)NCc3ccccn3)c2C(=O)N1C1CC1)C(=O)N[*:1]
C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3ccccn3)c2C(=O)N1C1CC1 O=C(NCc1ccccn1)[*:1] C[C@]1(Cn2cnc(c2C(=O)N1C1CC1)[*:1])C(=O)NCc1ccccc1Cl
C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3ccccn3)c2C(=O)N1C1CC1 c1ccc(nc1)[*:1] C[C@]1(Cn2cnc(C(=O)NC[*:1])c2C(=O)N1C1CC1)C(=O)NCc1ccccc1Cl
Cc1ccc(CNC(=O)CN2C(=O)[C@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)cc1 Cc1ccc(cc1)[*:1] O=C(CN1C(=O)[C@H]2CCCCN2c2ccc(cc21)C(=O)N1CCCCC1)NC[*:1]
Cc1ccc(CNC(=O)CN2C(=O)[C@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)cc1 Cc1ccc(cc1)C[*:1] O=C(CN1C(=O)[C@H]2CCCCN2c2ccc(cc21)C(=O)N1CCCCC1)N[*:1]
Cc1ccc(CNC(=O)CN2C(=O)[C@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)CNC(=O)CN1C(=O)[C@H]2CCCCN2c2ccc(cc21)[*:1]
Cc1ccc(CNC(=O)CN2C(=O)[C@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)cc1 Cc1ccc(cc1)CNC(=O)[*:1] O=C(c1ccc2c(c1)N(C[*:1])C(=O)[C@H]1CCCCN21)N1CCCCC1
C=CCOC(=O)c1s/c(=N\C(=O)[C@H]2Sc3cc(C)ccc3[C@H]2Cl)[nH]c1C C=CC[*:1] Cc1ccc2c(c1)S[C@H](C(=O)/N=c1/[nH]c(C)c(s1)C(=O)O[*:1])[C@@H]2Cl
C=CCOC(=O)c1s/c(=N\C(=O)[C@H]2Sc3cc(C)ccc3[C@H]2Cl)[nH]c1C C=CCOC(=O)[*:1] Cc1ccc2c(c1)S[C@H](C(=O)/N=c1/[nH]c(C)c(s1)[*:1])[C@@H]2Cl
Cc1ccc(S(=O)(=O)c2nnn(-c3ccc(C(C)C)cc3)c2N)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)c1nnn(-c2ccc(cc2)[*:1])c1N
Cc1ccc(S(=O)(=O)c2nnn(-c3ccc(C(C)C)cc3)c2N)cc1 Cc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)-n1nnc(c1N)S(=O)(=O)[*:1]
CC(C)[NH+](CCNC(=O)N1CCN(c2ncccc2F)CC1)C(C)C Fc1cccnc1[*:1] CC(C)[NH+](CCNC(=O)N1CCN(CC1)[*:1])C(C)C
CC(C)[NH+](CCNC(=O)N1CCN(c2ncccc2F)CC1)C(C)C CC(C)[*:1] CC(C)[NH+](CCNC(=O)N1CCN(CC1)c1ncccc1F)[*:1]
NC(=O)c1ccc(N[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1Cl NC(=O)[*:1] O=C([C@H](Nc1ccc(c(Cl)c1)[*:1])c1ccccc1)N1CCCC1
NC(=O)c1ccc(N[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1Cl O=C(N1CCCC1)[*:1] NC(=O)c1ccc(cc1Cl)N[C@@H](c1ccccc1)[*:1]
NC(=O)c1ccc(N[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] NC(=O)c1ccc(cc1Cl)N[C@@H](C(=O)N1CCCC1)[*:1]
CCCCNC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C CCCC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC(=O)N[*:1])C2=O
CCCCNC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C CCCCNC(=O)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[*:1])C2=O
CCCCNC(=O)CN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C CCC[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC(=O)NC[*:1])C2=O
O=C(Cc1ccn(-c2ccc(F)cc2)n1)N[C@@H](CO)c1ccco1 c1coc(c1)[*:1] O=C(Cc1ccn(n1)-c1ccc(F)cc1)N[C@@H](CO)[*:1]
O=C(Cc1ccn(-c2ccc(F)cc2)n1)N[C@@H](CO)c1ccco1 Fc1ccc(cc1)[*:1] O=C(Cc1ccn(n1)[*:1])N[C@@H](CO)c1ccco1
O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc(F)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc(F)ccc1[*:1]
O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc(F)ccc1[N+](=O)[O-] FC(F)(F)[*:1] O=C(Nc1ccc(Cl)cc1OC[*:1])c1cc(F)ccc1[N+](=O)[O-]
O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc(F)ccc1[N+](=O)[O-] FC(F)(F)CO[*:1] O=C(Nc1ccc(Cl)cc1[*:1])c1cc(F)ccc1[N+](=O)[O-]
O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc(F)ccc1[N+](=O)[O-] FC(F)(F)C[*:1] O=C(Nc1ccc(Cl)cc1O[*:1])c1cc(F)ccc1[N+](=O)[O-]
Cc1ccc([S@](=O)Cc2nc(-c3ccc(C(=O)NCc4ccccc4)cc3)oc2C)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)[S@](=O)Cc1nc(oc1C)-c1ccc(cc1)C(=O)N[*:1]
Cc1ccc([S@](=O)Cc2nc(-c3ccc(C(=O)NCc4ccccc4)cc3)oc2C)cc1 Cc1ccc(cc1)[*:1] Cc1oc(nc1C[S@@](=O)[*:1])-c1ccc(cc1)C(=O)NCc1ccccc1
Cc1ccc([S@](=O)Cc2nc(-c3ccc(C(=O)NCc4ccccc4)cc3)oc2C)cc1 O=C(NCc1ccccc1)[*:1] Cc1ccc(cc1)[S@](=O)Cc1nc(oc1C)-c1ccc(cc1)[*:1]
Cc1ccc([S@](=O)Cc2nc(-c3ccc(C(=O)NCc4ccccc4)cc3)oc2C)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[S@](=O)Cc1nc(oc1C)-c1ccc(cc1)C(=O)NC[*:1]
CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)cc1 Cc1occc1[*:1] CCOc1ccc(cc1)NC(=O)c1oc2CCC/C(=N\NC(=O)[*:1])c2c1C
CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)cc1 CCO[*:1] Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(cc3)[*:1])c(C)c21
CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccoc2C)CCC3)cc1 CCOc1ccc(cc1)[*:1] Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)N[*:1])c(C)c21
CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)CSc2nnc(-c3ccccc3C)o2)CC1 Cc1ccccc1[*:1] CC[NH+]1CCN(CC1)c1c(Cl)cccc1NC(=O)CSc1nnc(o1)[*:1]
Cc1c(C(=O)O[C@H]2CC[C@H](S(C)(=O)=O)C2)cnn1-c1ccccc1F Fc1ccccc1[*:1] Cc1c(cnn1[*:1])C(=O)O[C@H]1CC[C@@H](C1)S(C)(=O)=O
Cc1c(C(=O)O[C@H]2CC[C@H](S(C)(=O)=O)C2)cnn1-c1ccccc1F CS(=O)(=O)[*:1] Cc1c(cnn1-c1ccccc1F)C(=O)O[C@H]1CC[C@H](C1)[*:1]
CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 c1cc(ccn1)[*:1] CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 c1cc(ccn1)O[*:1] CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CN(CC(F)(F)F)C(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O FC(F)(F)C[*:1] CN(C(=O)CN1C(=O)N[C@@](C)(C1=O)c1cccs1)[*:1]
CN(CC(F)(F)F)C(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O FC(F)(F)[*:1] CN(C[*:1])C(=O)CN1C(=O)N[C@@](C)(C1=O)c1cccs1
CN(CC(F)(F)F)C(=O)CN1C(=O)N[C@](C)(c2cccs2)C1=O c1csc(c1)[*:1] CN(CC(F)(F)F)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
CN1C(=O)C[C@@H](NCc2csc(C3CC3)n2)[C@H]1c1ccc(Cl)cc1 C1CC1[*:1] CN1C(=O)C[C@@H](NCc2csc(n2)[*:1])[C@H]1c1ccc(Cl)cc1
CN1C(=O)C[C@@H](NCc2csc(C3CC3)n2)[C@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NCc2csc(n2)C2CC2)[C@@H]1[*:1]
CN1C(=O)C[C@@H](NCc2csc(C3CC3)n2)[C@H]1c1ccc(Cl)cc1 c1sc(nc1[*:1])C1CC1 CN1C(=O)C[C@@H](NC[*:1])[C@H]1c1ccc(Cl)cc1
CC[C@H](Sc1nnc(-c2cccc(N)c2)n1C)C(=O)Nc1ccc(Br)cc1 Nc1cccc(c1)[*:1] CC[C@H](Sc1nnc(n1C)[*:1])C(=O)Nc1ccc(Br)cc1
CC[C@H](Sc1nnc(-c2cccc(N)c2)n1C)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] CC[C@H](Sc1nnc(-c2cccc(N)c2)n1C)C(=O)N[*:1]
CCC[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N1CCc2sccc2C1 CCC[*:1] O=C(COc1ccc2ccccc2c1)N[C@@H](C(=O)N1CCc2sccc2C1)[*:1]
CCC[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N1CCc2sccc2C1 c1ccc2cc(ccc2c1)[*:1] CCC[C@@H](NC(=O)CO[*:1])C(=O)N1CCc2sccc2C1
Cc1cccc(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1 Cc1cccc(c1)[*:1] Cn1cc(/C=C/C(=O)[*:1])c(=O)n(C)c1=O
Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)[NH+](C)C)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)N[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)cc1)[*:1]
CNC(=O)Cc1csc(NC(=O)c2csc(Nc3ncccn3)n2)n1 c1cnc(nc1)N[*:1] CNC(=O)Cc1csc(n1)NC(=O)c1csc(n1)[*:1]
CNC(=O)Cc1csc(NC(=O)c2csc(Nc3ncccn3)n2)n1 CNC(=O)C[*:1] O=C(Nc1nc(cs1)[*:1])c1csc(n1)Nc1ncccn1
CNC(=O)Cc1csc(NC(=O)c2csc(Nc3ncccn3)n2)n1 CNC(=O)[*:1] O=C(Nc1nc(cs1)C[*:1])c1csc(n1)Nc1ncccn1
CNC(=O)Cc1csc(NC(=O)c2csc(Nc3ncccn3)n2)n1 c1cnc(nc1)[*:1] CNC(=O)Cc1csc(n1)NC(=O)c1csc(n1)N[*:1]
[NH3+]CCSCc1ncno1 [NH3+]CC[*:1] c1noc(CS[*:1])n1
CC[C@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ccc(C#N)c(c1)[*:1]
C[C@@H]1C[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O C[C@@H]1C[C@H]1NC(=O)[*:1] O=S(=O)([N-]c1ccc(O)c(c1)[*:1])c1cccs1
C[C@@H]1C[C@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O c1csc(c1)[*:1] C[C@@H]1C[C@H]1NC(=O)c1cc(ccc1O)[N-]S(=O)(=O)[*:1]
O=C(N[C@@H](CO)c1ccccc1F)c1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 O=C(N[C@@H](CO)c1ccccc1F)c1cccc(c1)[*:1]
O=C(N[C@@H](CO)c1ccccc1F)c1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] O=C(N[C@@H](CO)c1ccccc1F)c1cccc(c1)NC(=O)[*:1]
O=C(N[C@@H](CO)c1ccccc1F)c1cccc(NC(=O)C2CC2)c1 Fc1ccccc1[*:1] O=C(N[C@@H](CO)[*:1])c1cccc(c1)NC(=O)C1CC1
O=C1CCCN1C[C@H]1CCCCN1S(=O)(=O)c1c[nH]c2nccc(Cl)c12 O=C1CCCN1[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCCC[C@@H]1C[*:1]
O=C1CCCN1C[C@H]1CCCCN1S(=O)(=O)c1c[nH]c2nccc(Cl)c12 O=C1CCCN1C[*:1] O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCCC[C@@H]1[*:1]
Cc1ccc(S(=O)(=O)NCC(C)(C)[NH3+])c(F)c1 CC(C)([NH3+])C[*:1] Cc1ccc(c(F)c1)S(=O)(=O)N[*:1]
Cc1ccc(S(=O)(=O)NCC(C)(C)[NH3+])c(F)c1 CC(C)([NH3+])[*:1] Cc1ccc(c(F)c1)S(=O)(=O)NC[*:1]
CCn1c(SCc2cc3c(cc2Br)OCCO3)nnc1-c1ccccc1OC COc1ccccc1[*:1] CCn1c(nnc1[*:1])SCc1cc2OCCOc2cc1Br
Cc1csc(C[NH+](CC(=O)[O-])C(C)(C)C)n1 O=C([O-])[*:1] Cc1csc(C[NH+](C[*:1])C(C)(C)C)n1
Cc1csc(C[NH+](CC(=O)[O-])C(C)(C)C)n1 CC(C)(C)[*:1] Cc1csc(C[NH+](CC(=O)[O-])[*:1])n1
COc1cccc(CNC(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)CNC(=O)N1CCC[C@@](C)(C1)C(=O)NC[*:1]
COc1cccc(CNC(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)c1 COc1cccc(c1)[*:1] C[C@@]1(CCCN(C1)C(=O)NC[*:1])C(=O)NCc1ccccc1
COc1cccc(CNC(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)c1 COc1cccc(c1)C[*:1] C[C@@]1(CCCN(C1)C(=O)N[*:1])C(=O)NCc1ccccc1
COc1cccc(CNC(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)CNC(=O)N1CCC[C@@](C)(C1)C(=O)N[*:1]
CC(=O)N1CCC[NH+](CCCSCC#N)CC1 N#CCSC[*:1] CC(=O)N1CCC[NH+](CC1)CC[*:1]
CC(=O)N1CCC[NH+](CCCSCC#N)CC1 N#CCS[*:1] CC(=O)N1CCC[NH+](CCC[*:1])CC1
CC(=O)N1CCC[NH+](CCCSCC#N)CC1 N#CC[*:1] CC(=O)N1CCC[NH+](CCCS[*:1])CC1
CC[C@H](CC(=O)NCC[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)C[*:1] CC[C@H](CC(=O)NC[*:1])c1ccccc1
CC[C@H](CC(=O)NCC[C@@H]1CCCO1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@H](CC(=O)NCC[C@@H]1CCCO1)[*:1]
CC[C@H](CC(=O)NCC[C@@H]1CCCO1)c1ccccc1 C1CO[C@@H](C1)[*:1] CC[C@H](CC(=O)NCC[*:1])c1ccccc1
COc1ccc([C@@H](NC(=O)Nc2cc(NC(C)=O)ccc2F)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1ccc(F)c(c1)NC(=O)N[C@@H](C(C)C)[*:1]
COc1ccc([C@@H](NC(=O)Nc2cc(NC(C)=O)ccc2F)C(C)C)cc1 CC(=O)N[*:1] COc1ccc(cc1)[C@@H](NC(=O)Nc1cc(ccc1F)[*:1])C(C)C
COc1ccc([C@@H](NC(=O)Nc2cc(NC(C)=O)ccc2F)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@@H](NC(=O)Nc1cc(ccc1F)NC(C)=O)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)C[C@@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)C[C@@H](O)[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)C[C@@H](O)c2ccccc2)cc1 O[C@@H](c1ccccc1)[*:1] CCN(CC)C(=O)c1ccc(cc1)NC(=O)C[*:1]
CCN(CC)C(=O)c1ccc(NC(=O)C[C@@H](O)c2ccccc2)cc1 CCN(CC)C(=O)[*:1] O=C(C[C@@H](O)c1ccccc1)Nc1ccc(cc1)[*:1]
Cc1c(C(=O)NNC(=O)[C@@H](C)n2cccn2)oc2ccccc12 c1cnn(c1)[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)[C@@H](C)[*:1]
Cc1ccc([C@H]2C[C@@H](c3ccc(C(C)C)cc3)n3ncnc3N2)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@H]1C[C@@H](c2ccc(cc2)[*:1])n2ncnc2N1
Cc1ccc([C@H]2C[C@@H](c3ccc(C(C)C)cc3)n3ncnc3N2)cc1 Cc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)[C@@H]1C[C@@H](Nc2ncnn21)[*:1]
CNC(=O)c1c(C)nc(N)nc1[C@H](C)Oc1ccccc1Cl CNC(=O)[*:1] Cc1nc(N)nc(c1[*:1])[C@H](C)Oc1ccccc1Cl
CNC(=O)c1c(C)nc(N)nc1[C@H](C)Oc1ccccc1Cl Clc1ccccc1[*:1] CNC(=O)c1c(C)nc(N)nc1[C@H](C)O[*:1]
O=C(NCc1ccon1)c1cc2ccccc2cc1O c1cc(C[*:1])no1 O=C(N[*:1])c1cc2ccccc2cc1O
O=C(NCc1ccon1)c1cc2ccccc2cc1O c1cc(no1)[*:1] O=C(NC[*:1])c1cc2ccccc2cc1O
O=C(c1ccoc1)N1CCN(Cc2nnc(-c3ccccc3F)o2)CC1 c1cc(co1)[*:1] O=C(N1CCN(CC1)Cc1nnc(o1)-c1ccccc1F)[*:1]
O=C(c1ccoc1)N1CCN(Cc2nnc(-c3ccccc3F)o2)CC1 Fc1ccccc1[*:1] O=C(c1ccoc1)N1CCN(CC1)Cc1nnc(o1)[*:1]
O=C(CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C[C@@H]1CCCO1)N[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] O=C(CS[C@@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1C[C@@H]1CCCO1)N[*:1]
O=C(CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C[C@@H]1CCCO1)N[C@@H]1CCS(=O)(=O)C1 O=C(N[C@@H]1CCS(=O)(=O)C1)[*:1] c1ccc2=C(C[NH+]=c2c1)C1=NN[C@@H](SC[*:1])N1C[C@@H]1CCCO1
O=C(CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C[C@@H]1CCCO1)N[C@@H]1CCS(=O)(=O)C1 C1CO[C@@H](C1)C[*:1] O=C(CS[C@@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1[*:1])N[C@@H]1CCS(=O)(=O)C1
O=C(CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C[C@@H]1CCCO1)N[C@@H]1CCS(=O)(=O)C1 C1CO[C@@H](C1)[*:1] O=C(CS[C@@H]1NN=C(C2C[NH+]=c3ccccc3=2)N1C[*:1])N[C@@H]1CCS(=O)(=O)C1
CN[C@]1(C(=O)OC)CCC[C@H]1CCOC1CCC1 COC(=O)[*:1] CN[C@@]1(CCC[C@H]1CCOC1CCC1)[*:1]
CN[C@]1(C(=O)OC)CCC[C@H]1CCOC1CCC1 C1CC(C1)[*:1] CN[C@@]1(CCC[C@H]1CCO[*:1])C(=O)OC
CN[C@]1(C(=O)OC)CCC[C@H]1CCOC1CCC1 C1CC(C1)OC[*:1] CN[C@@]1(CCC[C@H]1C[*:1])C(=O)OC
CN[C@]1(C(=O)OC)CCC[C@H]1CCOC1CCC1 C1CC(C1)O[*:1] CN[C@@]1(CCC[C@H]1CC[*:1])C(=O)OC
CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)[*:1] CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccc(cc1)[*:1]
CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccc(S(N)(=O)=O)cc1 NS(=O)(=O)c1ccc(cc1)[*:1] CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)SC1=N[*:1]
CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccc(S(N)(=O)=O)cc1 Cc1ccc(Cl)cc1[*:1] CCN1C(=O)[C@H](CC(=O)N[*:1])S/C1=N\c1ccc(cc1)S(N)(=O)=O
CC(C)[C@H](NC(=O)N1CCOC[C@H]1C1CC1)c1ccc(F)cc1F C1CC1[*:1] CC(C)[C@H](NC(=O)N1CCOC[C@@H]1[*:1])c1ccc(F)cc1F
CC(C)[C@H](NC(=O)N1CCOC[C@H]1C1CC1)c1ccc(F)cc1F CC(C)[*:1] O=C(N[C@H](c1ccc(F)cc1F)[*:1])N1CCOC[C@H]1C1CC1
CC(C)[C@H](NC(=O)N1CCOC[C@H]1C1CC1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(C)[C@H](NC(=O)N1CCOC[C@H]1C1CC1)[*:1]
CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2Cl)s1 CCCC(=O)N[*:1] O=C(Cc1nnc(s1)[*:1])N/N=C/c1ccccc1Cl
CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2Cl)s1 CCC[*:1] O=C(Cc1nnc(NC(=O)[*:1])s1)N/N=C/c1ccccc1Cl
CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2Cl)s1 Clc1ccccc1[*:1] CCCC(=O)Nc1nnc(CC(=O)NN=C[*:1])s1
C[C@@H](Cn1cncn1)NC(=O)Nc1cc(F)cc(N2CCCC2)c1 c1ncn(C[*:1])n1 C[C@@H](NC(=O)Nc1cc(F)cc(c1)N1CCCC1)[*:1]
C[C@@H](Cn1cncn1)NC(=O)Nc1cc(F)cc(N2CCCC2)c1 C1CCN(C1)[*:1] C[C@@H](Cn1cncn1)NC(=O)Nc1cc(F)cc(c1)[*:1]
C[C@@H](Cn1cncn1)NC(=O)Nc1cc(F)cc(N2CCCC2)c1 c1ncn(n1)[*:1] C[C@@H](C[*:1])NC(=O)Nc1cc(F)cc(c1)N1CCCC1
Cc1cc(S(=O)(=O)N2CCN(CCOCCO)CC2)c(C)s1 Cc1cc(c(C)s1)[*:1] O=S(=O)(N1CCN(CCOCCO)CC1)[*:1]
Cc1cc(S(=O)(=O)N2CCN(CCOCCO)CC2)c(C)s1 OCCOC[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)C[*:1]
Cc1cc(S(=O)(=O)N2CCN(CCOCCO)CC2)c(C)s1 OCCO[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)CC[*:1]
Cc1cc(S(=O)(=O)N2CCN(CCOCCO)CC2)c(C)s1 OCC[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CCO[*:1])CC1
Cc1cc(S(=O)(=O)N2CCN(CCOCCO)CC2)c(C)s1 OCCOCC[*:1] Cc1cc(c(C)s1)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNc1cccc(Cl)c1 CC(C)C[*:1] Cc1nn(c(C)c1CCC(=O)NNc1cccc(Cl)c1)[*:1]
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNc1cccc(Cl)c1 CC(C)[*:1] Cc1nn(C[*:1])c(C)c1CCC(=O)NNc1cccc(Cl)c1
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1nn(CC(C)C)c(C)c1CCC(=O)NN[*:1]
Clc1ccc(CSCc2nc(-c3ccco3)no2)s1 Clc1ccc(s1)[*:1] c1coc(c1)-c1noc(CSC[*:1])n1
Clc1ccc(CSCc2nc(-c3ccco3)no2)s1 c1coc(c1)[*:1] Clc1ccc(CSCc2nc(no2)[*:1])s1
COc1ccc(Nc2cc(C)nc(-c3ccccn3)n2)c(OC)c1 c1ccc(nc1)[*:1] COc1ccc(Nc2cc(C)nc(n2)[*:1])c(c1)OC
Cc1noc(C2CN(C(=O)COc3ccc4ccccc4c3)C2)n1 Cc1noc(n1)[*:1] O=C(COc1ccc2ccccc2c1)N1CC(C1)[*:1]
O=C(COc1ccc(Cc2ccccc2)cc1)NC1CCOCC1 c1ccc(cc1)C[*:1] O=C(COc1ccc(cc1)[*:1])NC1CCOCC1
O=C(COc1ccc(Cc2ccccc2)cc1)NC1CCOCC1 c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)C[*:1])NC1CCOCC1
O=C(COc1ccc(Cc2ccccc2)cc1)NC1CCOCC1 C1CC(CCO1)[*:1] O=C(COc1ccc(cc1)Cc1ccccc1)N[*:1]
Cc1cccc(C)c1NC(=O)C1(N(C=O)CCC2=c3ccccc3=[NH+][C@@H]2C)CCCCC1 Cc1cccc(C)c1[*:1] C[C@H]1[NH+]=c2ccccc2=C1CCN(C=O)C1(CCCCC1)C(=O)N[*:1]
NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 NC(=O)[*:1] O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCC[C@H]1[*:1]
Cc1ccc2c(c1)N(CC(=O)NC[C@H]1CCCO1)C(=O)[C@H](C)O2 C1CO[C@H](C1)C[*:1] Cc1ccc2O[C@@H](C)C(=O)N(CC(=O)N[*:1])c2c1
Cc1ccc2c(c1)N(CC(=O)NC[C@H]1CCCO1)C(=O)[C@H](C)O2 C1CO[C@H](C1)[*:1] Cc1ccc2O[C@@H](C)C(=O)N(CC(=O)NC[*:1])c2c1
O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1csnn1 c1snnc1[*:1] O=C(Nc1cccc(c1)CC[NH+]1CCCC1)[*:1]
O=C(OCCO)N1CCN(C[C@@H]2CCCO2)CC1 OCC[*:1] O=C(O[*:1])N1CCN(CC1)C[C@@H]1CCCO1
O=C(OCCO)N1CCN(C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)C[*:1] O=C(OCCO)N1CCN(CC1)[*:1]
O=C(OCCO)N1CCN(C[C@@H]2CCCO2)CC1 C1CO[C@@H](C1)[*:1] O=C(OCCO)N1CCN(CC1)C[*:1]
CC[C@H](NC(=O)COc1c(C)cccc1C)C(=O)N1CCOCC1 Cc1cccc(C)c1[*:1] CC[C@H](NC(=O)CO[*:1])C(=O)N1CCOCC1
CC[C@H](NC(=O)COc1c(C)cccc1C)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@H](NC(=O)COc1c(C)cccc1C)[*:1]
C[NH2+][C@H](c1ccccc1)[C@H]1CCOC2(CCC2)C1 c1ccc(cc1)[*:1] C[NH2+][C@H]([C@H]1CCOC2(CCC2)C1)[*:1]
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1C O=[N+]([O-])[*:1] Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(ccc2[O-])[*:1])c1C
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1C Cc1cccc(c1C)[*:1] O=C(N/N=C/c1cc(ccc1[O-])[N+](=O)[O-])C(=O)N[*:1]
NC(=O)c1cnc(NC(=O)c2occc2COc2ccccc2)s1 NC(=O)c1cnc(s1)[*:1] O=C(N[*:1])c1occc1COc1ccccc1
NC(=O)c1cnc(NC(=O)c2occc2COc2ccccc2)s1 c1ccc(cc1)[*:1] NC(=O)c1cnc(NC(=O)c2occc2CO[*:1])s1
NC(=O)c1cnc(NC(=O)c2occc2COc2ccccc2)s1 c1ccc(cc1)O[*:1] NC(=O)c1cnc(NC(=O)c2occc2C[*:1])s1
NC(=O)c1cnc(NC(=O)c2occc2COc2ccccc2)s1 c1ccc(cc1)OC[*:1] NC(=O)c1cnc(NC(=O)c2occc2[*:1])s1
NC(=O)c1cnc(NC(=O)c2occc2COc2ccccc2)s1 NC(=O)[*:1] O=C(Nc1ncc(s1)[*:1])c1occc1COc1ccccc1
CC(C)[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccccc1 CC(C)[*:1] C[C@H]([NH2+][C@H](CO)[*:1])C(=O)Nc1ccccc1
CC(C)[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](CO)[NH2+][C@@H](C)C(=O)N[*:1]
Cc1nn(C)c2sc(C(=O)NC[C@H](c3c(F)cccc3Cl)[NH+]3CCCC3)cc12 Fc1cccc(Cl)c1[*:1] Cc1nn(C)c2sc(cc12)C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Nc1ccccc1-c1noc(SCC(=O)c2ccc(Br)cc2)n1 Brc1ccc(cc1)[*:1] Nc1ccccc1-c1noc(n1)SCC(=O)[*:1]
Nc1ccccc1-c1noc(SCC(=O)c2ccc(Br)cc2)n1 Nc1ccccc1[*:1] O=C(CSc1nc(no1)[*:1])c1ccc(Br)cc1
Cc1ccc(NC(=O)NCC(C)(C)C(N)=O)cc1OCC(F)F FC(F)C[*:1] Cc1ccc(cc1O[*:1])NC(=O)NCC(C)(C)C(N)=O
Cc1ccc(NC(=O)NCC(C)(C)C(N)=O)cc1OCC(F)F CC(C)(C(N)=O)[*:1] Cc1ccc(cc1OCC(F)F)NC(=O)NC[*:1]
Cc1ccc(NC(=O)NCC(C)(C)C(N)=O)cc1OCC(F)F FC(F)CO[*:1] Cc1ccc(cc1[*:1])NC(=O)NCC(C)(C)C(N)=O
Cc1ccc(NC(=O)NCC(C)(C)C(N)=O)cc1OCC(F)F NC(=O)[*:1] Cc1ccc(cc1OCC(F)F)NC(=O)NCC(C)(C)[*:1]
Cc1ccc(NC(=O)NCC(C)(C)C(N)=O)cc1OCC(F)F FC(F)[*:1] Cc1ccc(cc1OC[*:1])NC(=O)NCC(C)(C)C(N)=O
Cc1ccc(NC(=O)NCC(C)(C)C(N)=O)cc1OCC(F)F CC(C)(C[*:1])C(N)=O Cc1ccc(cc1OCC(F)F)NC(=O)N[*:1]
CCOC(=O)[C@@H](NC(=O)/N=c1\[nH]nc2cccc(OC)n12)C(C)C CC(C)[*:1] CCOC(=O)[C@@H](NC(=O)/N=c1\[nH]nc2cccc(OC)n12)[*:1]
CCOC(=O)[C@@H](NC(=O)/N=c1\[nH]nc2cccc(OC)n12)C(C)C CCOC(=O)[*:1] COc1cccc2n[nH]/c(=N\C(=O)N[C@@H](C(C)C)[*:1])n12
C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1ccc(Cl)cn1 Fc1ccc(cc1)CN[*:1] C[C@H](Sc1nnc(s1)[*:1])C(=O)Nc1ccc(Cl)cn1
C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1ccc(Cl)cn1 Fc1ccc(cc1)[*:1] C[C@H](Sc1nnc(NC[*:1])s1)C(=O)Nc1ccc(Cl)cn1
C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1ccc(Cl)cn1 Fc1ccc(cc1)C[*:1] C[C@H](Sc1nnc(N[*:1])s1)C(=O)Nc1ccc(Cl)cn1
C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)Nc1ccc(Cl)cn1 Clc1ccc(nc1)[*:1] C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)N[*:1]
CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC([NH+](C)C)CC2)C1 CCC[*:1] C[NH+](C)C1CCN(CC1)C(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
O=C(CCc1ccccc1)Nc1cccc(NC(=O)C2CCC2)c1 c1ccc(cc1)[*:1] O=C(CC[*:1])Nc1cccc(c1)NC(=O)C1CCC1
O=C(CCc1ccccc1)Nc1cccc(NC(=O)C2CCC2)c1 c1ccc(cc1)CC[*:1] O=C(Nc1cccc(c1)NC(=O)[*:1])C1CCC1
O=C(CCc1ccccc1)Nc1cccc(NC(=O)C2CCC2)c1 O=C(N[*:1])C1CCC1 O=C(CCc1ccccc1)Nc1cccc(c1)[*:1]
O=C(CCc1ccccc1)Nc1cccc(NC(=O)C2CCC2)c1 C1CC(C1)[*:1] O=C(CCc1ccccc1)Nc1cccc(c1)NC(=O)[*:1]
O=C(CCc1ccccc1)Nc1cccc(NC(=O)C2CCC2)c1 c1ccc(cc1)C[*:1] O=C(C[*:1])Nc1cccc(c1)NC(=O)C1CCC1
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1C O=[N+]([O-])[*:1] Cc1noc([N-]S(=O)(=O)c2ccc(cc2)NC(=O)c2ccccc2[*:1])c1C
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1C O=[N+]([O-])c1ccccc1[*:1] Cc1noc([N-]S(=O)(=O)c2ccc(cc2)NC(=O)[*:1])c1C
CCOc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1Cl CCO[*:1] Cc1nn(C)c(C)c1C(=O)Nc1ccc(c(Cl)c1)[*:1]
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1Cc2ccccc2O1 NC(=O)[*:1] O=C([C@@H]1Cc2ccccc2O1)N1Cc2ccccc2C[C@H]1[*:1]
CCC[NH2+]C[C@H](CC)Oc1ccccc1 CCC[*:1] CC[C@@H](C[NH2+][*:1])Oc1ccccc1
CC[C@@]1(C)C[C@@](Nc2cc(C)cc(F)c2)(C(N)=O)CCO1 NC(=O)[*:1] CC[C@@]1(C)C[C@](CCO1)(Nc1cc(C)cc(F)c1)[*:1]
O=C([O-])COCCNC(=O)Nc1cccc(F)c1 O=C([O-])[*:1] O=C(NCCOC[*:1])Nc1cccc(F)c1
O=C([O-])COCCNC(=O)Nc1cccc(F)c1 O=C([O-])C[*:1] O=C(NCCO[*:1])Nc1cccc(F)c1
O=C([O-])COCCNC(=O)Nc1cccc(F)c1 O=C([O-])CO[*:1] O=C(NCC[*:1])Nc1cccc(F)c1
O=C([O-])COCCNC(=O)Nc1cccc(F)c1 O=C([O-])COC[*:1] O=C(NC[*:1])Nc1cccc(F)c1
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Cc2csc(C(C)(C)C)n2)C1 CC(C)(C)[*:1] COC(=O)C(C)(C)[C@@H]1CCCN(C1)C(=O)Cc1csc(n1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Cc2csc(C(C)(C)C)n2)C1 COC(=O)C(C)(C)[*:1] CC(C)(C)c1nc(cs1)CC(=O)N1CCC[C@H](C1)[*:1]
COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Cc2csc(C(C)(C)C)n2)C1 COC(=O)[*:1] CC(C)(C)c1nc(cs1)CC(=O)N1CCC[C@H](C1)C(C)(C)[*:1]
Cc1ccc(-c2c([O-])[nH]c(-c3sccc3C)nc2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccsc1-c1nc(=O)c(c([O-])[nH]1)[*:1]
Cc1ccc(-c2c([O-])[nH]c(-c3sccc3C)nc2=O)cc1 Cc1ccsc1[*:1] Cc1ccc(cc1)-c1c([O-])[nH]c(nc1=O)[*:1]
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CSC(=O)N1 FC(F)(F)[*:1] C[C@@H](Cc1ccc(cc1)[*:1])NC(=O)[C@@H]1CSC(=O)N1
N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] N#C/C(=C\Nc1ccc(Cl)c(c1)C(F)(F)F)C(=O)N[*:1]
N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\Nc1ccc(Cl)c(c1)C(F)(F)F)C(=O)NC[*:1]
N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NCc1ccccc1 FC(F)(F)[*:1] N#C/C(=C\Nc1ccc(Cl)c(c1)[*:1])C(=O)NCc1ccccc1
COC(=O)c1ccc(NCc2cn3cccc(C)c3[nH+]2)cc1 COC(=O)[*:1] Cc1cccn2cc(CNc3ccc(cc3)[*:1])[nH+]c12
Cc1cccc(OCC(=O)NNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 Cc1cccc(c1)O[*:1] O=C(C[*:1])NNC(=O)c1cc(nn1-c1ccccc1)C1CC1
Cc1cccc(OCC(=O)NNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OCC(=O)NNC(=O)c1cc(nn1[*:1])C1CC1
Cc1cccc(OCC(=O)NNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 C1CC1[*:1] Cc1cccc(c1)OCC(=O)NNC(=O)c1cc(nn1-c1ccccc1)[*:1]
Cc1cccc(OCC(=O)NNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(CO[*:1])NNC(=O)c1cc(nn1-c1ccccc1)C1CC1
Cc1cccc(OCC(=O)NNC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 Cc1cccc(c1)OC[*:1] O=C(NNC(=O)[*:1])c1cc(nn1-c1ccccc1)C1CC1
CC(C)c1nsc(Oc2cccc(C(N)=O)c2)n1 NC(=O)[*:1] CC(C)c1nsc(n1)Oc1cccc(c1)[*:1]
CC(C)c1nsc(Oc2cccc(C(N)=O)c2)n1 CC(C)[*:1] NC(=O)c1cccc(c1)Oc1nc(ns1)[*:1]
COCCN1CCN(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1=O COCC[*:1] O=C(N[C@H]1CCCC[C@@H]1n1cccn1)N1CCN(C(=O)C1)[*:1]
COCCN1CCN(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1=O c1cnn(c1)[*:1] COCCN1CCN(CC1=O)C(=O)N[C@H]1CCCC[C@H]1[*:1]
COCCN1CCN(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1=O COC[*:1] O=C1CN(CCN1C[*:1])C(=O)N[C@H]1CCCC[C@@H]1n1cccn1
COc1nonc1NC(=O)C(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] COc1nonc1NC(=O)C(C(F)(F)F)[*:1]
COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1OC N#Cc1ccccc1[*:1] COc1ccc(cc1OC)NC(=O)c1ccccc1[*:1]
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1nnc(C2CC2)n1C Fc1ccc(c(Cl)c1)[*:1] C[C@@H](O[*:1])C(=O)N(C)Cc1nnc(C2CC2)n1C
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1nnc(C2CC2)n1C C1CC1[*:1] C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1nnc(n1C)[*:1]
Cc1cc(-c2cnc(NCCNC(=O)[C@H]3C[C@H]3C)nc2-c2ccc(C)s2)on1 Cc1ccc(s1)[*:1] Cc1cc(on1)-c1cnc(nc1[*:1])NCCNC(=O)[C@H]1C[C@H]1C
Cc1cc(-c2cnc(NCCNC(=O)[C@H]3C[C@H]3C)nc2-c2ccc(C)s2)on1 Cc1cc(on1)[*:1] Cc1ccc(s1)-c1nc(ncc1[*:1])NCCNC(=O)[C@H]1C[C@H]1C
CCOC(=O)CNC(=O)O[C@H]1CCN2Cc3ccccc3[NH+]=C12 CCOC(=O)[*:1] O=C(NC[*:1])O[C@H]1CCN2Cc3ccccc3[NH+]=C12
CCOC(=O)CNC(=O)O[C@H]1CCN2Cc3ccccc3[NH+]=C12 CCOC(=O)C[*:1] O=C(N[*:1])O[C@H]1CCN2Cc3ccccc3[NH+]=C12
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC(F)(F)F FC(F)(F)C[*:1] C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[*:1]
C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC(F)(F)F FC(F)(F)[*:1] C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C[*:1]
O=C(NCCc1ccccn1)N[C@@H]1C[C@@H]1c1ccccc1 c1ccc(C[*:1])nc1 O=C(NC[*:1])N[C@@H]1C[C@@H]1c1ccccc1
O=C(NCCc1ccccn1)N[C@@H]1C[C@@H]1c1ccccc1 c1ccc(nc1)[*:1] O=C(NCC[*:1])N[C@@H]1C[C@@H]1c1ccccc1
O=C(NCCc1ccccn1)N[C@@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1ccccn1)N[C@@H]1C[C@H]1[*:1]
O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1C[C@H]2CCCC[C@@H]2C1 FC(F)(F)C[*:1] O=C(Nc1ccc(F)cc1O[*:1])N1C[C@H]2CCCC[C@@H]2C1
O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1C[C@H]2CCCC[C@@H]2C1 FC(F)(F)CO[*:1] O=C(Nc1ccc(F)cc1[*:1])N1C[C@H]2CCCC[C@@H]2C1
O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1C[C@H]2CCCC[C@@H]2C1 FC(F)(F)[*:1] O=C(Nc1ccc(F)cc1OC[*:1])N1C[C@H]2CCCC[C@@H]2C1
O=C([O-])COc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] O=C([O-])COc1ncc(cc1Cl)[*:1]
O=C([O-])COc1ncc(C(F)(F)F)cc1Cl O=C([O-])CO[*:1] FC(F)(F)c1cnc(c(Cl)c1)[*:1]
O=C([O-])COc1ncc(C(F)(F)F)cc1Cl O=C([O-])C[*:1] FC(F)(F)c1cnc(O[*:1])c(Cl)c1
O=C([O-])COc1ncc(C(F)(F)F)cc1Cl O=C([O-])[*:1] FC(F)(F)c1cnc(OC[*:1])c(Cl)c1
CC(=O)[C@H](C)N1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C CC(=O)[C@H](C)[*:1] CC1=NN(c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C)[*:1]
CC(=O)[C@H](C)N1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C CC(=O)[*:1] CC1=NN(c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C)[C@@H](C)[*:1]
CC(C)Oc1ccccc1CNC(=O)N[C@@H]1CCCNC1=O CC(C)[*:1] O=C(NCc1ccccc1O[*:1])N[C@@H]1CCCNC1=O
CC(C)Oc1ccccc1CNC(=O)N[C@@H]1CCCNC1=O CC(C)O[*:1] O=C(NCc1ccccc1[*:1])N[C@@H]1CCCNC1=O
O=C(Cn1ccc2c(Cl)cccc21)NCc1ccco1 c1coc(c1)C[*:1] O=C(Cn1ccc2c(Cl)cccc21)N[*:1]
O=C(Cn1ccc2c(Cl)cccc21)NCc1ccco1 c1coc(c1)[*:1] O=C(Cn1ccc2c(Cl)cccc21)NC[*:1]
CNS(=O)(=O)c1ccc([C@H]2CC(=O)Nc3cc(O)c(C(=O)[O-])cc32)cc1 O=C([O-])[*:1] CNS(=O)(=O)c1ccc(cc1)[C@H]1CC(=O)Nc2cc(O)c(cc21)[*:1]
CNS(=O)(=O)c1ccc([C@H]2CC(=O)Nc3cc(O)c(C(=O)[O-])cc32)cc1 CNS(=O)(=O)[*:1] O=C1C[C@H](c2ccc(cc2)[*:1])c2cc(C(=O)[O-])c(O)cc2N1
Cc1cccc(C)c1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 Cc1cccc(C)c1[*:1] C[C@@H]1CN(CCO1)c1ccc(c[nH+]1)CNC(=O)[*:1]
Cc1cccc(NCc2cccc(C(N)=O)c2)c1 NC(=O)[*:1] Cc1cccc(c1)NCc1cccc(c1)[*:1]
CCCC[C@H]1OC[C@@]2(CO)[C@H](C)C=C(C)[C@@H]1[C@H]2C CCC[*:1] CC1=C[C@@H](C)[C@]2(CO)CO[C@H](C[*:1])[C@H]1[C@H]2C
CCCC[C@H]1OC[C@@]2(CO)[C@H](C)C=C(C)[C@@H]1[C@H]2C CCCC[*:1] CC1=C[C@@H](C)[C@]2(CO)CO[C@@H]([C@H]1[C@H]2C)[*:1]
CC(=O)N1CCC[C@H]1COc1ccc(C(=O)NC2CC2)cc1 C1CC1[*:1] CC(=O)N1CCC[C@H]1COc1ccc(cc1)C(=O)N[*:1]
CC(=O)N1CCC[C@H]1COc1ccc(C(=O)NC2CC2)cc1 O=C(NC1CC1)[*:1] CC(=O)N1CCC[C@H]1COc1ccc(cc1)[*:1]
O=C1CCC(=O)N1CC(=O)N(CC(F)(F)F)C1CCOCC1 C1CC(CCO1)[*:1] O=C1CCC(=O)N1CC(=O)N(CC(F)(F)F)[*:1]
O=C1CCC(=O)N1CC(=O)N(CC(F)(F)F)C1CCOCC1 FC(F)(F)[*:1] O=C1CCC(=O)N1CC(=O)N(C[*:1])C1CCOCC1
O=C1CCC(=O)N1CC(=O)N(CC(F)(F)F)C1CCOCC1 O=C1CCC(=O)N1[*:1] O=C(C[*:1])N(CC(F)(F)F)C1CCOCC1
O=C1CCC(=O)N1CC(=O)N(CC(F)(F)F)C1CCOCC1 FC(F)(F)C[*:1] O=C1CCC(=O)N1CC(=O)N(C1CCOCC1)[*:1]
CCCCc1nnc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)s1 CCCC[*:1] C[C@H](c1ccccc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)s1 C[C@H](c1ccccc1)[*:1] CCCCc1nnc(NC(=O)[C@H]2CC(=O)N(C2)[*:1])s1
CCCCc1nnc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)s1 c1ccc(cc1)[*:1] CCCCc1nnc(NC(=O)[C@H]2CC(=O)N(C2)[C@H](C)[*:1])s1
CCCCc1nnc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)s1 CCC[*:1] C[C@H](c1ccccc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(C[*:1])s1
CC[C@H](CSC)N(C)C(=O)Nc1ccccc1C(=O)N(C)C CN(C)C(=O)[*:1] CC[C@H](CSC)N(C)C(=O)Nc1ccccc1[*:1]
CC[C@H](CSC)N(C)C(=O)Nc1ccccc1C(=O)N(C)C CSC[*:1] CC[C@H](N(C)C(=O)Nc1ccccc1C(=O)N(C)C)[*:1]
CC(=O)/C(C#N)=C1/NC(c2ccc3c(c2)OCO3)=CS1 CC(=O)[*:1] N#CC(=C1NC(=CS1)c1ccc2OCOc2c1)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 CC[C@@H](C)NC(=O)[*:1] O=C(NCc1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)NC[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 O=[N+]([O-])[*:1] CC[C@@H](C)NC(=O)c1ccc(cc1)NC(=O)NCc1cccc(c1)[*:1]
CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc1 CC[C@@H](C)[*:1] O=C(NCc1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)C(=O)N[*:1]
Cc1nc(NCCS(N)(=O)=O)c2c(CC(C)C)csc2n1 NS(=O)(=O)CCN[*:1] Cc1nc(c2c(csc2n1)CC(C)C)[*:1]
Cc1nc(NCCS(N)(=O)=O)c2c(CC(C)C)csc2n1 CC(C)C[*:1] Cc1nc(NCCS(N)(=O)=O)c2c(csc2n1)[*:1]
Cc1nc(NCCS(N)(=O)=O)c2c(CC(C)C)csc2n1 CC(C)[*:1] Cc1nc(NCCS(N)(=O)=O)c2c(csc2n1)C[*:1]
Cc1nc(NCCS(N)(=O)=O)c2c(CC(C)C)csc2n1 NS(=O)(=O)C[*:1] Cc1nc(NC[*:1])c2c(csc2n1)CC(C)C
Cc1nc(NCCS(N)(=O)=O)c2c(CC(C)C)csc2n1 NS(=O)(=O)[*:1] Cc1nc(NCC[*:1])c2c(csc2n1)CC(C)C
Cc1nc(NCCS(N)(=O)=O)c2c(CC(C)C)csc2n1 NS(=O)(=O)CC[*:1] Cc1nc(N[*:1])c2c(csc2n1)CC(C)C
COC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 Brc1ccc(cc1)[*:1] COC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)[*:1]
COC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 FC(F)(F)[*:1] COC(=O)c1cc2nc(cc(n2n1)[*:1])-c1ccc(Br)cc1
COC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 COC(=O)[*:1] FC(F)(F)c1cc(nc2cc(nn12)[*:1])-c1ccc(Br)cc1
C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccccc1N(C)C CN(C)[*:1] C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccccc1[*:1]
CCc1nnsc1C(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1 COC(=O)[*:1] CCc1nnsc1C(=O)N1C[C@H](C)[C@@H](C1)[*:1]
CN(CC[NH+](C)C)Cc1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] CN(CC[NH+](C)C)Cc1ccc(cc1)[*:1]
CCc1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)o1 NC(=O)[*:1] CCc1ccc(o1)C(=O)N1CCC[C@@H](C1)[*:1]
CC(C)(C)c1ncc(/C=C/C(=O)N(CC(F)F)C2CC2)s1 C1CC1[*:1] CC(C)(C)c1ncc(/C=C/C(=O)N(CC(F)F)[*:1])s1
CC(C)(C)c1ncc(/C=C/C(=O)N(CC(F)F)C2CC2)s1 FC(F)C[*:1] CC(C)(C)c1ncc(/C=C/C(=O)N(C2CC2)[*:1])s1
CC(C)(C)c1ncc(/C=C/C(=O)N(CC(F)F)C2CC2)s1 FC(F)[*:1] CC(C)(C)c1ncc(/C=C/C(=O)N(C[*:1])C2CC2)s1
CC(C)(C)c1ncc(/C=C/C(=O)N(CC(F)F)C2CC2)s1 CC(C)(C)[*:1] O=C(/C=C/c1cnc(s1)[*:1])N(CC(F)F)C1CC1
CCOC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1CCCCC2 CCOC(=O)[*:1] COc1cccc(OC)c1C(=O)Nc1sc2CCCCCc2c1[*:1]
O=C(Cc1ccccc1Cl)N1CCC(Cn2cc[nH+]c2)CC1 Clc1ccccc1[*:1] O=C(C[*:1])N1CCC(CC1)Cn1cc[nH+]c1
O=C(CN(CCO)c1ccccc1)NC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(CN(CCO)[*:1])NC1(CCC1)c1ccccc1
O=C(CN(CCO)c1ccccc1)NC1(c2ccccc2)CCC1 OCC[*:1] O=C(CN(c1ccccc1)[*:1])NC1(CCC1)c1ccccc1
O=C(CN(CCO)c1ccccc1)NC1(c2ccccc2)CCC1 c1ccc(cc1)[*:1] O=C(CN(CCO)c1ccccc1)NC1(CCC1)[*:1]
CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)CCCC3)C1 CS(=O)(=O)[*:1] O=C(N[C@@H]1CCC[C@@H](C1)[*:1])c1ccc2CCCCc2c1
COC(=O)c1cccc(C(=O)Nc2ccc3c(C)n[nH]c3c2)n1 COC(=O)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)c1cccc(n1)[*:1]
Cc1nc(C)c(C(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)s1 FC(F)(F)[*:1] Cc1nc(C)c(s1)C(=O)NC[C@@H](O)COc1ccc(cc1)[*:1]
Cc1nc(C)c(C(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)s1 Cc1nc(C)c(s1)[*:1] O=C(NC[C@@H](O)COc1ccc(cc1)C(F)(F)F)[*:1]
COCCOc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1F COCCO[*:1] C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(c(F)c1)[*:1]
COCCOc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1F COC[*:1] C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(OC[*:1])c(F)c1
COCCOc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1F COCC[*:1] C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(O[*:1])c(F)c1
CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O Clc1ccc(s1)[*:1] CCN(C[*:1])C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O Clc1ccc(C[*:1])s1 CCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)[*:1]
CCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cs2)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1nc(cs1)CN1CCN(CC1)S(=O)(=O)[*:1]
CCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cs2)cc1 CCO[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCN(CC1)Cc1csc(n1)-c1ccc(cc1)[*:1]
CCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cs2)cc1 CCOc1ccc(cc1)[*:1] O=S(=O)(c1ccc(Cl)cc1)N1CCN(CC1)Cc1csc(n1)[*:1]
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3(C(=O)[O-])CCCCC3)c2)C[C@H](C)O1 O=C([O-])[*:1] C[C@H]1CN(C[C@H](C)O1)S(=O)(=O)c1cccc(c1)C(=O)NC1(CCCCC1)[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)NCC(F)(F)F)n1 FC(F)(F)[*:1] COc1ccc(Cl)cc1-c1n[nH]c(n1)S[C@@H](C)C(=O)NC[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)NCC(F)(F)F)n1 O=C(NCC(F)(F)F)[*:1] COc1ccc(Cl)cc1-c1n[nH]c(n1)S[C@@H](C)[*:1]
COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)NCC(F)(F)F)n1 FC(F)(F)C[*:1] COc1ccc(Cl)cc1-c1n[nH]c(n1)S[C@@H](C)C(=O)N[*:1]
Cn1cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)c(C(C)(C)C)n1 c1cc(ccn1)[*:1] Cn1cc(/C=C/C(=O)c2cccc(c2)[*:1])c(n1)C(C)(C)C
Cn1cc(/C=C/C(=O)c2cccc(-c3ccncc3)c2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(/C=C/C(=O)c2cccc(c2)-c2ccncc2)c(n1)[*:1]
C[C@H]1CN(C(=O)CSc2nnnn2C2CC2)C[C@H](C)O1 C1CC1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)CSc1nnnn1[*:1]
Cc1ccc(CNC(=O)c2ccc([O-])nn2)c(OC(C)(C)C)c1 CC(C)(C)O[*:1] Cc1ccc(CNC(=O)c2ccc([O-])nn2)c(c1)[*:1]
Cc1ccc(CNC(=O)c2ccc([O-])nn2)c(OC(C)(C)C)c1 [O-]c1ccc(nn1)[*:1] Cc1ccc(CNC(=O)[*:1])c(c1)OC(C)(C)C
Cc1ccc(CNC(=O)c2ccc([O-])nn2)c(OC(C)(C)C)c1 CC(C)(C)[*:1] Cc1ccc(CNC(=O)c2ccc([O-])nn2)c(c1)O[*:1]
COC(=O)[C@@H](C)NC(=O)c1ccc(Br)o1 COC(=O)[*:1] C[C@@H](NC(=O)c1ccc(Br)o1)[*:1]
COc1cccc([C@H](O)CN[C@@H](c2ccccc2C)C2CC2)c1 Cc1ccccc1[*:1] COc1cccc(c1)[C@H](O)CN[C@@H](C1CC1)[*:1]
COc1cccc([C@H](O)CN[C@@H](c2ccccc2C)C2CC2)c1 C1CC1[*:1] COc1cccc(c1)[C@H](O)CN[C@@H](c1ccccc1C)[*:1]
Cc1c(NC(=O)COc2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C Clc1ccc(cc1Cl)O[*:1] Cc1c(NC(=O)C[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)COc2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C Clc1ccc(cc1Cl)[*:1] Cc1c(NC(=O)CO[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)COc2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)COc2ccc(Cl)c(Cl)c2)c(=O)n(n1C)[*:1]
O=C(CCc1cccc(Cl)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 Clc1cccc(c1)[*:1] O=C(CC[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
CCCn1cc(C(=O)N2CCC[C@H](COc3cccc(F)c3)C2)c(C)n1 CCC[*:1] Cc1nn(cc1C(=O)N1CCC[C@H](COc2cccc(F)c2)C1)[*:1]
CCCn1cc(C(=O)N2CCC[C@H](COc3cccc(F)c3)C2)c(C)n1 Fc1cccc(c1)O[*:1] CCCn1cc(C(=O)N2CCC[C@@H](C2)C[*:1])c(C)n1
CCCn1cc(C(=O)N2CCC[C@H](COc3cccc(F)c3)C2)c(C)n1 Fc1cccc(c1)[*:1] CCCn1cc(C(=O)N2CCC[C@H](CO[*:1])C2)c(C)n1
C[C@H](CC(=O)c1cccs1)NC(=O)C[C@H](O)c1ccccc1 c1csc(c1)[*:1] C[C@H](CC(=O)[*:1])NC(=O)C[C@H](O)c1ccccc1
C[C@H](CC(=O)c1cccs1)NC(=O)C[C@H](O)c1ccccc1 O=C(c1cccs1)[*:1] C[C@H](C[*:1])NC(=O)C[C@H](O)c1ccccc1
C[C@H](CC(=O)c1cccs1)NC(=O)C[C@H](O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)c1cccs1)NC(=O)C[C@H](O)[*:1]
COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 COc1ccc(cc1)[*:1] O=C([O-])CCC(=O)N1c2ccccc2NC2C[C@H](CC(=O)C=2[C@@H]1[*:1])c1ccccc1
COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 O=C([O-])[*:1] COc1ccc(cc1)[C@H]1C2C(=O)C[C@@H](CC=2Nc2ccccc2N1C(=O)CC[*:1])c1ccccc1
COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1C2C(=O)C[C@H](CC=2Nc2ccccc2N1C(=O)CCC(=O)[O-])[*:1]
CC[C@@H]1CCCCCN1C(=O)NCc1cccc(NC(=O)N(C)C)c1 CN(C)C(=O)N[*:1] CC[C@@H]1CCCCCN1C(=O)NCc1cccc(c1)[*:1]
CC(C)(CNc1ccc(C#N)c([N+](=O)[O-])c1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNc1ccc(C#N)c(c1)[N+](=O)[O-])[*:1]
CC(C)(CNc1ccc(C#N)c([N+](=O)[O-])c1)S(C)(=O)=O O=[N+]([O-])[*:1] CC(C)(CNc1ccc(C#N)c(c1)[*:1])S(C)(=O)=O
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 Fc1ccc(cc1)[*:1] Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 Cc1ccnc(n1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)N[*:1])c1ccc(F)cc1
CNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O CNC(=O)[*:1] O=c1c2cc(sc2ncn1C[*:1])-c1ccccc1
CNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O c1ccc(cc1)[*:1] CNC(=O)Cn1cnc2sc(cc2c1=O)[*:1]
CNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O CNC(=O)C[*:1] O=c1c2cc(sc2ncn1[*:1])-c1ccccc1
O=C(N[C@H]1CCc2ccccc21)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(N[C@H]1CCc2ccccc21)[*:1]
CC(C)=CC[NH+]1CCN(c2ccccc2F)CC1 CC(C)=C[*:1] Fc1ccccc1N1CC[NH+](CC1)C[*:1]
CC(C)=CC[NH+]1CCN(c2ccccc2F)CC1 CC(C)=CC[*:1] Fc1ccccc1N1CC[NH+](CC1)[*:1]
CCCC1(CCC)C[NH+]([C@H](C(=O)[O-])C2CCCCC2)C1 CCC[*:1] CCCC1(C[NH+](C1)[C@H](C(=O)[O-])C1CCCCC1)[*:1]
CCCC1(CCC)C[NH+]([C@H](C(=O)[O-])C2CCCCC2)C1 O=C([O-])[*:1] CCCC1(CCC)C[NH+](C1)[C@H](C1CCCCC1)[*:1]
CCCC1(CCC)C[NH+]([C@H](C(=O)[O-])C2CCCCC2)C1 C1CCC(CC1)[*:1] CCCC1(CCC)C[NH+](C1)[C@H](C(=O)[O-])[*:1]
CCOC(=O)N1CCC([NH2+]CCCCC#N)CC1 N#CC[*:1] CCOC(=O)N1CCC(CC1)[NH2+]CCC[*:1]
CCOC(=O)N1CCC([NH2+]CCCCC#N)CC1 N#CCC[*:1] CCOC(=O)N1CCC(CC1)[NH2+]CC[*:1]
CCOC(=O)N1CCC([NH2+]CCCCC#N)CC1 N#CCCC[*:1] CCOC(=O)N1CCC(CC1)[NH2+]C[*:1]
CCOC(=O)N1CCC([NH2+]CCCCC#N)CC1 N#CCCCC[*:1] CCOC(=O)N1CCC(CC1)[NH2+][*:1]
O=C(Nc1ccc(F)c(F)c1)N[C@@H](CO)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(F)c(F)c1)N[C@@H](CO)[*:1]
C[C@@H](NC(=O)c1c(Cl)cccc1Cl)[C@H]1CCOC1 C1C[C@@H](CO1)[*:1] C[C@@H](NC(=O)c1c(Cl)cccc1Cl)[*:1]
CC[C@@H](CCO)[NH2+][C@@H](C)c1cnc(C)s1 OCC[*:1] CC[C@@H]([NH2+][C@@H](C)c1cnc(C)s1)[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 CNC(=O)[*:1] Cc1ccc(NC(=O)c2ccc(cc2)OC[C@H]2CCCO2)c(c1)[*:1]
CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 C1CO[C@H](C1)CO[*:1] CNC(=O)c1cc(C)ccc1NC(=O)c1ccc(cc1)[*:1]
CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 CNC(=O)[*:1] C[C@H](Sc1ccc(cc1)[N+](=O)[O-])[*:1]
CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CNC(=O)[C@H](C)Sc1ccc(cc1)[*:1]
CC(=O)Nc1cc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c(F)cc1F CC(=O)N[*:1] C[C@@H](C(=O)Nc1cc(c(F)cc1F)[*:1])[NH+]1CCCCCC1
O=C(C1CCC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 C1CC(C1)[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N1CCOCC1
CC(C)[C@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)N1CCCC1=O CC(C)[*:1] CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@H](N1CCCC1=O)[*:1]
CC(C)[C@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)N1CCCC1=O Clc1cccc(c1)[*:1] CC(C)[C@H](C(=O)N(C)CC(=O)N[*:1])N1CCCC1=O
CC(C)[C@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)N1CCCC1=O O=C1CCCN1[*:1] CC(C)[C@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)[*:1]
CC[C@H]1CCCCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@H]1CCCCN1C(=O)c1nc(n(n1)-c1ccccc1)[*:1]
CC[C@H]1CCCCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC[C@H]1CCCCN1C(=O)c1nc(-c2ccccc2)n(n1)[*:1]
COc1ccc(CCNc2cccc(F)c2C(N)=S)cc1 NC(=S)[*:1] COc1ccc(cc1)CCNc1cccc(F)c1[*:1]
CCc1ncc(C(=O)N2CCO[C@@H](CCCc3ccccc3)C2)cn1 CCc1ncc(cn1)[*:1] O=C(N1CCO[C@@H](CCCc2ccccc2)C1)[*:1]
CCc1ncc(C(=O)N2CCO[C@@H](CCCc3ccccc3)C2)cn1 c1ccc(cc1)C[*:1] CCc1ncc(cn1)C(=O)N1CCO[C@@H](CC[*:1])C1
CCc1ncc(C(=O)N2CCO[C@@H](CCCc3ccccc3)C2)cn1 c1ccc(cc1)[*:1] CCc1ncc(cn1)C(=O)N1CCO[C@@H](CCC[*:1])C1
CCc1ncc(C(=O)N2CCO[C@@H](CCCc3ccccc3)C2)cn1 c1ccc(cc1)CC[*:1] CCc1ncc(cn1)C(=O)N1CCO[C@H](C1)C[*:1]
COCCOc1ccc(NC(=O)N(C)Cc2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] COCCOc1ccc(cc1)NC(=O)N(C)C[*:1]
COCCOc1ccc(NC(=O)N(C)Cc2cnn(C)c2)cc1 Cn1cc(cn1)C[*:1] COCCOc1ccc(cc1)NC(=O)N(C)[*:1]
COCCOc1ccc(NC(=O)N(C)Cc2cnn(C)c2)cc1 COC[*:1] CN(Cc1cnn(C)c1)C(=O)Nc1ccc(cc1)OC[*:1]
COCCOc1ccc(NC(=O)N(C)Cc2cnn(C)c2)cc1 COCCO[*:1] CN(Cc1cnn(C)c1)C(=O)Nc1ccc(cc1)[*:1]
COCCOc1ccc(NC(=O)N(C)Cc2cnn(C)c2)cc1 COCC[*:1] CN(Cc1cnn(C)c1)C(=O)Nc1ccc(cc1)O[*:1]
C[C@H](O)[C@@H](C)S(=O)(=O)CC(=O)N(C)CC1CC1 C1CC1C[*:1] C[C@H](O)[C@@H](C)S(=O)(=O)CC(=O)N(C)[*:1]
C[C@H](O)[C@@H](C)S(=O)(=O)CC(=O)N(C)CC1CC1 C1CC1[*:1] C[C@H](O)[C@@H](C)S(=O)(=O)CC(=O)N(C)C[*:1]
C[C@H](O)[C@@H](C)S(=O)(=O)CC(=O)N(C)CC1CC1 C[C@H](O)[*:1] C[C@@H](S(=O)(=O)CC(=O)N(C)CC1CC1)[*:1]
CCOc1ccc(C(=O)N(C)[C@@H](C)CC)cc1[N+](=O)[O-] CC[C@H](C)[*:1] CCOc1ccc(cc1[N+](=O)[O-])C(=O)N(C)[*:1]
CCOc1ccc(C(=O)N(C)[C@@H](C)CC)cc1[N+](=O)[O-] CCO[*:1] CC[C@H](C)N(C)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CCOc1ccc(C(=O)N(C)[C@@H](C)CC)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ccc(cc1[*:1])C(=O)N(C)[C@@H](C)CC
Cc1c(NCc2nnnn2C2CC2)cccc1C(=O)N1CCCC1 C1CC1n1nnnc1[*:1] Cc1c(cccc1C(=O)N1CCCC1)NC[*:1]
Cc1c(NCc2nnnn2C2CC2)cccc1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] Cc1c(cccc1[*:1])NCc1nnnn1C1CC1
Cc1c(NCc2nnnn2C2CC2)cccc1C(=O)N1CCCC1 C1CC1[*:1] Cc1c(cccc1C(=O)N1CCCC1)NCc1nnnn1[*:1]
COc1cccc(OCc2nnc3n2N=C(C(C)(C)C)CS3)c1 CC(C)(C)[*:1] COc1cccc(c1)OCc1nnc2SCC(=Nn12)[*:1]
CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cnc2ccc(C)cn12 CN(C)C(=O)[*:1] CCN(Cc1ccc(cc1)[*:1])Cc1cnc2ccc(C)cn12
CCOc1ccc2nc(NC(=O)CS(=O)(=O)CC(C)C)sc2c1 CC(C)C[*:1] CCOc1ccc2nc(NC(=O)CS(=O)(=O)[*:1])sc2c1
CCOc1ccc2nc(NC(=O)CS(=O)(=O)CC(C)C)sc2c1 CCO[*:1] CC(C)CS(=O)(=O)CC(=O)Nc1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(NC(=O)CS(=O)(=O)CC(C)C)sc2c1 CC(C)CS(=O)(=O)[*:1] CCOc1ccc2nc(NC(=O)C[*:1])sc2c1
CCOc1ccc2nc(NC(=O)CS(=O)(=O)CC(C)C)sc2c1 CC(C)[*:1] CCOc1ccc2nc(NC(=O)CS(=O)(=O)C[*:1])sc2c1
CCOc1ccccc1/N=c1\scc(OC(C)=O)n1C(C)=O CC(=O)O[*:1] CCOc1ccccc1/N=c1\scc(n1C(C)=O)[*:1]
CCOc1ccccc1/N=c1\scc(OC(C)=O)n1C(C)=O CCO[*:1] CC(=O)Oc1cs/c(=N\c2ccccc2[*:1])n1C(C)=O
Cc1ccc(C(=O)NNC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)o1 Cc1ccc(o1)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)NNC(=O)[*:1])C(C)C
Cc1ccc(C(=O)NNC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)o1 CC(C)[*:1] Cc1ccc(o1)C(=O)NNC(=O)[C@H](NC(=O)c1ccccc1C)[*:1]
Cc1ccc(C(=O)NNC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)o1 Cc1ccccc1[*:1] Cc1ccc(o1)C(=O)NNC(=O)[C@H](NC(=O)[*:1])C(C)C
Cc1ccnc(NC[C@@H](c2cccs2)N2CCOCC2)n1 c1csc(c1)[*:1] Cc1ccnc(n1)NC[C@@H](N1CCOCC1)[*:1]
Cc1ccnc(NC[C@@H](c2cccs2)N2CCOCC2)n1 C1CN(CCO1)[*:1] Cc1ccnc(n1)NC[C@@H](c1cccs1)[*:1]
Cc1ccnc(NC[C@@H](c2cccs2)N2CCOCC2)n1 Cc1ccnc(n1)[*:1] c1csc(c1)[C@H](CN[*:1])N1CCOCC1
Cc1cc(C)c(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(C)c(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c(c1)[*:1]
Cc1ccc(NCC(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 Cc1ccc(cc1)N[*:1] O=C(C[*:1])NNC(=O)c1cc2cc(Cl)ccc2[nH]1
Cc1ccc(NCC(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 Cc1ccc(cc1)[*:1] O=C(CN[*:1])NNC(=O)c1cc2cc(Cl)ccc2[nH]1
C[C@@H](NC(=O)c1cccc2c1OCO2)c1ccc(-c2cccnc2)cc1 c1cncc(c1)[*:1] C[C@@H](NC(=O)c1cccc2OCOc21)c1ccc(cc1)[*:1]
COCc1nc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cs1 CC(C)[*:1] COCc1nc(cs1)C(=O)N1CCC[C@@H]1c1noc(n1)[*:1]
COCc1nc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cs1 COC[*:1] CC(C)c1nc(no1)[C@H]1CCCN1C(=O)c1csc(n1)[*:1]
Cc1ccc(C2=Nc3nnnn3[C@H](c3c(C)nn(-c4ccc(F)cc4)c3Cl)C2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)C1C[C@@H](c2c(C)nn(c2Cl)[*:1])n2nnnc2N=1
Cc1ccc(C2=Nc3nnnn3[C@H](c3c(C)nn(-c4ccc(F)cc4)c3Cl)C2)cc1 Cc1ccc(cc1)[*:1] Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1CC(=Nc2nnnn21)[*:1]
Cc1nc(CNC(=O)Nc2ccn([C@H](C)c3ccccc3)n2)c(C)s1 c1ccc(cc1)[*:1] Cc1nc(CNC(=O)Nc2ccn(n2)[C@H](C)[*:1])c(C)s1
Cc1nc(CNC(=O)Nc2ccn([C@H](C)c3ccccc3)n2)c(C)s1 Cc1nc(c(C)s1)[*:1] C[C@H](c1ccccc1)n1ccc(n1)NC(=O)NC[*:1]
Cc1nc(CNC(=O)Nc2ccn([C@H](C)c3ccccc3)n2)c(C)s1 C[C@H](c1ccccc1)[*:1] Cc1nc(CNC(=O)Nc2ccn(n2)[*:1])c(C)s1
Cc1nc(CNC(=O)Nc2ccn([C@H](C)c3ccccc3)n2)c(C)s1 Cc1nc(C[*:1])c(C)s1 C[C@H](c1ccccc1)n1ccc(n1)NC(=O)N[*:1]
COc1cc(Br)cc(C)c1NC(=O)NC[C@H](O)C(C)C CC(C)[C@@H](O)[*:1] COc1cc(Br)cc(C)c1NC(=O)NC[*:1]
COc1cc(Br)cc(C)c1NC(=O)NC[C@H](O)C(C)C CC(C)[*:1] COc1cc(Br)cc(C)c1NC(=O)NC[C@H](O)[*:1]
COc1cc(Br)cc(C)c1NC(=O)NC[C@H](O)C(C)C CC(C)[C@@H](O)C[*:1] COc1cc(Br)cc(C)c1NC(=O)N[*:1]
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(C)=O)[C@@H]2C1=O CC(=O)[*:1] COc1ccc(cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H]([C@@H]2C1=O)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(C)=O)[C@@H]2C1=O O=[N+]([O-])[*:1] COc1ccc(cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(C)=O)[C@@H]2C1=O)[*:1]
CC[C@@H](C)[C@@H](O)CNc1ncccc1F CC[C@@H](C)[*:1] O[C@@H](CNc1ncccc1F)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)CCC(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CNC(=O)[C@@H](C)CN(C)C(=O)CCC(=O)[*:1]
CNC(=O)[C@@H](C)CN(C)C(=O)CCC(=O)c1ccc(C)cc1 CNC(=O)[*:1] Cc1ccc(cc1)C(=O)CCC(=O)N(C)C[C@H](C)[*:1]
COC(=O)c1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1 c1ccc(cc1)C[*:1] COC(=O)c1ccc(cc1)NC(=O)c1cc2c(C)nn(c2s1)[*:1]
COC(=O)c1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)c1cc2c(C)nn(C[*:1])c2s1
COC(=O)c1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1 COC(=O)[*:1] Cc1nn(Cc2ccccc2)c2sc(cc12)C(=O)Nc1ccc(cc1)[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)[C@@H](C)C(=O)N[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 O=C(NCc1ccc(F)cc1)[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)[C@@H](C)[*:1])-c1ccccc1
Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)[C@@H](C)C(=O)NCc1ccc(F)cc1)[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)[C@@H](C)C(=O)NC[*:1])-c1ccccc1
COc1cc(-c2nc(-c3ccccc3Br)n[nH]2)ccc1O Brc1ccccc1[*:1] COc1cc(ccc1O)-c1nc(n[nH]1)[*:1]
CC[C@@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@H](C)C3 C1CO[C@@H](C1)[*:1] CC[C@@H]1CCCCN1C(=O)CSc1nc2sc3C[C@@H](C)CCc3c2c(=O)n1C[*:1]
CC[C@@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@H](C)C3 C1CO[C@@H](C1)C[*:1] CC[C@@H]1CCCCN1C(=O)CSc1nc2sc3C[C@@H](C)CCc3c2c(=O)n1[*:1]
CC[C@@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@H](C)C3 CC[C@@H]1CCCCN1C(=O)[*:1] C[C@H]1CCc2c(C1)sc1nc(SC[*:1])n(C[C@@H]3CCCO3)c(=O)c21
CC[C@@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@H](C)C3 CC[C@@H]1CCCCN1C(=O)C[*:1] C[C@H]1CCc2c(C1)sc1nc(S[*:1])n(C[C@@H]3CCCO3)c(=O)c21
CC[C@H](CSC)N(C)C(=O)c1c(C)oc2ccc(OC)cc12 CSC[*:1] CC[C@H](N(C)C(=O)c1c(C)oc2ccc(cc12)OC)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)C2)cc1 N#Cc1c(sc2CCCc21)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@H](C1)C(=O)N[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)C2)cc1 COc1ccc(cc1)[*:1] N#Cc1c(NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)[*:1])sc2CCCc21
Cc1noc(COC(=O)CCCc2cc(Cl)sc2Cl)n1 Cc1noc(n1)[*:1] O=C(CCCc1cc(Cl)sc1Cl)OC[*:1]
CN(C(=O)C[C@H]1SC(=O)N(c2cccc(O)c2)C1=O)c1ccccc1C(=O)[O-] O=C([O-])c1ccccc1[*:1] CN(C(=O)C[C@H]1SC(=O)N(C1=O)c1cccc(O)c1)[*:1]
CN(C(=O)C[C@H]1SC(=O)N(c2cccc(O)c2)C1=O)c1ccccc1C(=O)[O-] Oc1cccc(c1)[*:1] CN(C(=O)C[C@H]1SC(=O)N(C1=O)[*:1])c1ccccc1C(=O)[O-]
CN(C(=O)C[C@H]1SC(=O)N(c2cccc(O)c2)C1=O)c1ccccc1C(=O)[O-] O=C([O-])[*:1] CN(C(=O)C[C@H]1SC(=O)N(C1=O)c1cccc(O)c1)c1ccccc1[*:1]
COc1cccc(C(=O)/C=C2\Nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3NC2=O)c1 Cc1ccc(cc1C)NC(=O)[*:1] COc1cccc(c1)C(=O)/C=C1\Nc2ccc(cc2NC1=O)[*:1]
COc1cccc(C(=O)/C=C2\Nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3NC2=O)c1 COc1cccc(c1)C(=O)[*:1] Cc1ccc(cc1C)NC(=O)c1ccc2NC(=C[*:1])C(=O)Nc2c1
COc1cccc(C(=O)/C=C2\Nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3NC2=O)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1C)NC(=O)c1ccc2N/C(=C\C(=O)[*:1])C(=O)Nc2c1
COc1cccc(C(=O)/C=C2\Nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3NC2=O)c1 Cc1ccc(cc1C)[*:1] COc1cccc(c1)C(=O)/C=C1\Nc2ccc(cc2NC1=O)C(=O)N[*:1]
CC(C)n1ccc2cc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)ccc21 FC(F)(F)[*:1] CC(C)n1ccc2cc(ccc21)C(=O)N1CCn2c(C1)nnc2[*:1]
CC(C)n1ccc2cc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)ccc21 CC(C)[*:1] O=C(c1ccc2c(ccn2[*:1])c1)N1CCn2c(C1)nnc2C(F)(F)F
N#C[C@]1(c2ccccc2)CCc2c(sc3[nH]cnc(=S)c23)C1 c1ccc(cc1)[*:1] N#C[C@@]1(CCc2c(C1)sc1[nH]cnc(=S)c21)[*:1]
Cc1ccc(/C=N/N2C(=S)N=N[C@H]2COc2ccccc2)cc1 c1ccc(cc1)O[*:1] Cc1ccc(/C=N/N2C(=S)N=N[C@H]2C[*:1])cc1
Cc1ccc(/C=N/N2C(=S)N=N[C@H]2COc2ccccc2)cc1 Cc1ccc(cc1)[*:1] S=C1N=N[C@@H](COc2ccccc2)N1N=C[*:1]
Cc1ccc(/C=N/N2C(=S)N=N[C@H]2COc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(/C=N/N2C(=S)N=N[C@H]2CO[*:1])cc1
Cc1ccc(-c2nc(CN3CCN(c4ccccc4)C(=O)C3)c(C)o2)s1 Cc1ccc(s1)[*:1] Cc1oc(nc1CN1CCN(C(=O)C1)c1ccccc1)[*:1]
Cc1ccc(-c2nc(CN3CCN(c4ccccc4)C(=O)C3)c(C)o2)s1 c1ccc(cc1)[*:1] Cc1ccc(s1)-c1nc(CN2CCN(C(=O)C2)[*:1])c(C)o1
CCOCCN(C)c1nc(OC)nc(N2CCCCCC2)n1 C1CCCN(CC1)[*:1] CCOCCN(C)c1nc(nc(n1)[*:1])OC
CCOCCN(C)c1nc(OC)nc(N2CCCCCC2)n1 CCOCCN(C)[*:1] COc1nc(nc(n1)[*:1])N1CCCCCC1
CCOCCN(C)c1nc(OC)nc(N2CCCCCC2)n1 CCOCC[*:1] COc1nc(nc(n1)N(C)[*:1])N1CCCCCC1
CCOCCN(C)c1nc(OC)nc(N2CCCCCC2)n1 CCOC[*:1] COc1nc(nc(n1)N1CCCCCC1)N(C)C[*:1]
CCOCCN(C)c1nc(OC)nc(N2CCCCCC2)n1 CCO[*:1] COc1nc(nc(n1)N1CCCCCC1)N(C)CC[*:1]
Cc1cc2nc(N[C@H](C)c3ccc(C)s3)c3ccccc3n2n1 Cc1ccc(s1)[*:1] Cc1cc2nc(N[C@H](C)[*:1])c3ccccc3n2n1
Cc1ccc([C@](C)(O)C(C)C)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@](C)(O)[*:1]
CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C)CC1 Clc1ccc(cc1)[*:1] CC(C)C[C@@H](NC(=O)[*:1])C(=O)N1CCC(C)CC1
CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C)CC1 CC(C)C[*:1] CC1CCN(CC1)C(=O)[C@H](NC(=O)c1ccc(Cl)cc1)[*:1]
CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)[C@@H](C[*:1])NC(=O)c1ccc(Cl)cc1
CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 c1coc(c1)[*:1] CCc1ccc(cc1)NC(=O)C(=O)NC[C@H](N1CCOCC1)[*:1]
CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] CCc1ccc(cc1)NC(=O)C(=O)NC[C@H](c1ccco1)[*:1]
CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 CCc1ccc(cc1)[*:1] O=C(NC[C@H](c1ccco1)N1CCOCC1)C(=O)N[*:1]
Cc1cc(C)c2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2cc(CN(Cc3cccs3)C(=O)N[*:1])c(=O)[nH]c2c1
Cc1cc(C)c2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 c1csc(c1)[*:1] Cc1cc(C)c2cc(CN(C[*:1])C(=O)Nc3ccccc3)c(=O)[nH]c2c1
Cc1cc(C)c2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 c1csc(c1)C[*:1] Cc1cc(C)c2cc(CN(C(=O)Nc3ccccc3)[*:1])c(=O)[nH]c2c1
Cc1nc([C@@H]2CCCCN2C(=O)CC(C)C)nc2c1CCC(=O)N2CC1CC1 CC(C)[*:1] Cc1nc(nc2c1CCC(=O)N2CC1CC1)[C@@H]1CCCCN1C(=O)C[*:1]
Cc1nc([C@@H]2CCCCN2C(=O)CC(C)C)nc2c1CCC(=O)N2CC1CC1 C1CC1C[*:1] Cc1nc(nc2c1CCC(=O)N2[*:1])[C@@H]1CCCCN1C(=O)CC(C)C
Cc1nc([C@@H]2CCCCN2C(=O)CC(C)C)nc2c1CCC(=O)N2CC1CC1 CC(C)C[*:1] Cc1nc(nc2c1CCC(=O)N2CC1CC1)[C@@H]1CCCCN1C(=O)[*:1]
Cc1nc([C@@H]2CCCCN2C(=O)CC(C)C)nc2c1CCC(=O)N2CC1CC1 C1CC1[*:1] Cc1nc(nc2c1CCC(=O)N2C[*:1])[C@@H]1CCCCN1C(=O)CC(C)C
CCCn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c2cccnc21 CCC[*:1] O=S(=O)([N-]c1cccc(Cl)c1)c1cn(c2ncccc12)[*:1]
CCCn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c2cccnc21 Clc1cccc(c1)[*:1] CCCn1cc(c2cccnc21)S(=O)(=O)[N-][*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)CCOc2ccccc2)cc1 CC(=O)[*:1] C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)CCOc2ccccc2)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H](C)CCO[*:1]
CC(=O)c1ccc(NC(=O)[C@@H](C)CCOc2ccccc2)cc1 c1ccc(cc1)O[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@@H](C)CC[*:1]
CN(CC(F)(F)F)C(=O)CN(C)c1ccc(F)c(F)c1 FC(F)(F)C[*:1] CN(CC(=O)N(C)[*:1])c1ccc(F)c(F)c1
CN(CC(F)(F)F)C(=O)CN(C)c1ccc(F)c(F)c1 FC(F)(F)[*:1] CN(C[*:1])C(=O)CN(C)c1ccc(F)c(F)c1
CC(=O)NCCC(=O)OCc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] CC(=O)NCCC(=O)OCc1nc(no1)[*:1]
CC(=O)NCCC(=O)OCc1nc(-c2ccccc2)no1 CC(=O)NC[*:1] O=C(C[*:1])OCc1nc(no1)-c1ccccc1
CC(=O)NCCC(=O)OCc1nc(-c2ccccc2)no1 CC(=O)N[*:1] O=C(CC[*:1])OCc1nc(no1)-c1ccccc1
CC(=O)NCCC(=O)OCc1nc(-c2ccccc2)no1 CC(=O)NCC[*:1] O=C(OCc1nc(no1)-c1ccccc1)[*:1]
O=C([O-])C1CC[NH+](Cc2ccc(Cl)cc2)CC1 O=C([O-])[*:1] Clc1ccc(cc1)C[NH+]1CCC(CC1)[*:1]
Cc1cccc(CN2CCN(C(=O)c3nc(NCc4ccccc4)ncc3Cl)CC2)c1 Cc1cccc(c1)C[*:1] O=C(c1nc(ncc1Cl)NCc1ccccc1)N1CCN(CC1)[*:1]
Cc1cccc(CN2CCN(C(=O)c3nc(NCc4ccccc4)ncc3Cl)CC2)c1 c1ccc(cc1)C[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)c1nc(ncc1Cl)N[*:1]
Cc1cccc(CN2CCN(C(=O)c3nc(NCc4ccccc4)ncc3Cl)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)c1nc(ncc1Cl)NC[*:1]
Cc1cccc(CN2CCN(C(=O)c3nc(NCc4ccccc4)ncc3Cl)CC2)c1 Cc1cccc(c1)[*:1] O=C(c1nc(ncc1Cl)NCc1ccccc1)N1CCN(CC1)C[*:1]
Cc1cccc(CN2CCN(C(=O)c3nc(NCc4ccccc4)ncc3Cl)CC2)c1 c1ccc(cc1)CN[*:1] Cc1cccc(c1)CN1CCN(CC1)C(=O)c1nc(ncc1Cl)[*:1]
O=C(NN[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)c1cncc(Br)c1 Brc1cncc(c1)[*:1] O=C1C[C@@H](NNC(=O)[*:1])C(=O)N1c1cc(Cl)cc(Cl)c1
O=C(NN[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)c1cncc(Br)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(NN[C@@H]1CC(=O)N(C1=O)[*:1])c1cncc(Br)c1
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[*:1]
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCCN1C(=O)O[*:1]
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc(F)nc1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCN(C1)[*:1])c1ccc(F)nc1
O=C(N[C@H]1CCN(c2ccccc2)C1)c1ccc(F)nc1 Fc1ccc(cn1)[*:1] O=C(N[C@H]1CCN(C1)c1ccccc1)[*:1]
CC[NH+](Cc1ccoc1)Cc1cccn1C c1cc(co1)[*:1] CC[NH+](Cc1cccn1C)C[*:1]
COc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)OCC(=O)N[C@H](C)[*:1]
Cc1cccc(C)c1OCCNC(=O)CN1CC[NH+](C2CCCC2)CC1 Cc1cccc(C)c1[*:1] O=C(CN1CC[NH+](CC1)C1CCCC1)NCCO[*:1]
Cc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)c2cc(C(C)C)n[nH]2)n1 Cc1noc(c1C)[*:1] Cc1ncc(c(n1)[C@H]1CCCCN1C(=O)c1cc(n[nH]1)C(C)C)[*:1]
Cc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)c2cc(C(C)C)n[nH]2)n1 CC(C)c1cc([nH]n1)[*:1] Cc1ncc(c(n1)[C@H]1CCCCN1C(=O)[*:1])-c1onc(C)c1C
Cc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)c2cc(C(C)C)n[nH]2)n1 CC(C)[*:1] Cc1ncc(c(n1)[C@H]1CCCCN1C(=O)c1cc(n[nH]1)[*:1])-c1onc(C)c1C
CCOc1ccc(CNC(=O)[C@H]2CCCN([C@H]3[NH+]=c4ccccc4=[NH+]C3=O)C2)cc1OC CCO[*:1] COc1cc(ccc1[*:1])CNC(=O)[C@H]1CCCN(C1)[C@H]1[NH+]=c2ccccc2=[NH+]C1=O
O=C([O-])COc1cc(-c2ccncc2)nc(N2CCN(c3ccccc3F)CC2)n1 Fc1ccccc1[*:1] O=C([O-])COc1cc(nc(n1)N1CCN(CC1)[*:1])-c1ccncc1
O=C([O-])COc1cc(-c2ccncc2)nc(N2CCN(c3ccccc3F)CC2)n1 O=C([O-])C[*:1] Fc1ccccc1N1CCN(CC1)c1nc(cc(n1)-c1ccncc1)O[*:1]
O=C([O-])COc1cc(-c2ccncc2)nc(N2CCN(c3ccccc3F)CC2)n1 c1cc(ccn1)[*:1] O=C([O-])COc1cc(nc(n1)N1CCN(CC1)c1ccccc1F)[*:1]
O=C([O-])COc1cc(-c2ccncc2)nc(N2CCN(c3ccccc3F)CC2)n1 O=C([O-])[*:1] Fc1ccccc1N1CCN(CC1)c1nc(cc(n1)-c1ccncc1)OC[*:1]
COc1ccc(CNC(=O)c2c(N3CCCC3=O)c3cc(C)ccc3n2C)cc1OC O=C1CCCN1[*:1] COc1ccc(cc1OC)CNC(=O)c1c(c2cc(C)ccc2n1C)[*:1]
COc1ccc(CNC(=O)c2c(N3CCCC3=O)c3cc(C)ccc3n2C)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc2c(c1)c(c(C(=O)NC[*:1])n2C)N1CCCC1=O
CC(C)(C)OCc1ccc(NC(=O)NCC2(O)CCOCC2)cc1 CC(C)(C)[*:1] O=C(NCC1(O)CCOCC1)Nc1ccc(cc1)CO[*:1]
CC(C)(C)OCc1ccc(NC(=O)NCC2(O)CCOCC2)cc1 OC1(CCOCC1)[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)NC[*:1]
CC(C)(C)OCc1ccc(NC(=O)NCC2(O)CCOCC2)cc1 CC(C)(C)OC[*:1] O=C(NCC1(O)CCOCC1)Nc1ccc(cc1)[*:1]
CC(C)(C)OCc1ccc(NC(=O)NCC2(O)CCOCC2)cc1 OC1(CCOCC1)C[*:1] CC(C)(C)OCc1ccc(cc1)NC(=O)N[*:1]
CC(C)(C)OCc1ccc(NC(=O)NCC2(O)CCOCC2)cc1 CC(C)(C)O[*:1] O=C(NCC1(O)CCOCC1)Nc1ccc(cc1)C[*:1]
Cc1cc(C)n(-c2ccc(NCC(C)C)nn2)n1 CC(C)CN[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)[*:1]
Cc1cc(C)n(-c2ccc(NCC(C)C)nn2)n1 CC(C)C[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N[*:1]
Cc1cc(C)n(-c2ccc(NCC(C)C)nn2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)NC[*:1]
N#Cc1ccc(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)cc1 N#Cc1ccc(cc1)[*:1] N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SC[*:1]
N#Cc1ccc(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)CSc1nc(N)c(cc1C#N)C(=O)N[*:1]
N#Cc1ccc(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)cc1 N#Cc1ccc(cc1)C[*:1] N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1S[*:1]
N#Cc1ccc(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)cc1 O=C(Nc1ccccc1)[*:1] N#Cc1ccc(cc1)CSc1nc(N)c(cc1C#N)[*:1]
CCn1c(C)cc(CNCC[NH3+])c1C [NH3+]CC[*:1] CCn1c(C)cc(CN[*:1])c1C
CCn1c(C)cc(CNCC[NH3+])c1C [NH3+]CCN[*:1] CCn1c(C)cc(C[*:1])c1C
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C c1cc(ccn1)[*:1] CC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1cccc(c1)[N+](=O)[O-]
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C O=[N+]([O-])[*:1] CC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@@H]1c1cccc(c1)[*:1]
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C O=[N+]([O-])c1cccc(c1)[*:1] CC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@H]1[*:1]
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C CC(=O)[*:1] Cc1nc(sc1[*:1])N1C(=O)C([O-])=C(C(=O)c2ccncc2)[C@@H]1c1cccc(c1)[N+](=O)[O-]
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C CC(=O)c1sc(nc1C)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1cccc(c1)[N+](=O)[O-])[*:1])c1ccncc1
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C O=C(c1ccncc1)[*:1] CC(=O)c1sc(nc1C)N1C(=O)C([O-])=C([C@@H]1c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2cccnc2)on1 c1cncc(c1)[*:1] C[C@@H]1Cc2ccccc2N1C(=O)c1cc(on1)[*:1]
CC(C)n1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc2c1=O CC(C)[*:1] C[C@@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]
CC(C)n1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc2c1=O O=[N+]([O-])[*:1] CC(C)n1c(nc2ccccc2c1=O)S[C@H](C)C(=O)Nc1ccc(cc1Cl)[*:1]
CC(C)n1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc2c1=O O=[N+]([O-])c1ccc(c(Cl)c1)[*:1] CC(C)n1c(nc2ccccc2c1=O)S[C@H](C)C(=O)N[*:1]
CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc3c(c1)OCO3)C(=O)[C@@H]1CCCCN21 c1cc2OCOc2cc1[*:1] CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NC[*:1])C(=O)[C@@H]1CCCCN21
CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc3c(c1)OCO3)C(=O)[C@@H]1CCCCN21 CN(C)C(=O)[*:1] O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(cc21)[*:1])NCc1ccc2OCOc2c1
CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc3c(c1)OCO3)C(=O)[C@@H]1CCCCN21 c1cc2OCOc2cc1C[*:1] CN(C)C(=O)c1ccc2c(c1)N(CC(=O)N[*:1])C(=O)[C@@H]1CCCCN21
CC(=O)Sc1ccc2ccccc2c1 CC(=O)S[*:1] c1ccc2cc(ccc2c1)[*:1]
COc1ncnc(N2CCC[C@@H]2C(N)=O)c1N NC(=O)[*:1] COc1ncnc(c1N)N1CCC[C@H]1[*:1]
CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(OC)cc1)O[C@H](C)C2 COc1ccc(cc1)[*:1] CCOc1cc2C[C@@H](C)Oc2cc1N[C@H](C)C(=O)N[*:1]
CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(OC)cc1)O[C@H](C)C2 CCO[*:1] COc1ccc(cc1)NC(=O)[C@@H](C)Nc1cc2O[C@H](C)Cc2cc1[*:1]
COc1ccc(OC)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)c1 COc1ccc(OC)c(c1)[*:1] O=C(Nc1nnc(o1)[*:1])c1ccc(cc1)S(=O)(=O)N1CCCC1
COc1ccc(OC)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)c1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(OC)c(c1)-c1nnc(NC(=O)c2ccc(cc2)[*:1])o1
C(C[C@H]1C[NH2+]CCO1)[NH2+]C[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C1CO[C@@H](CC[NH2+]C[*:1])C[NH2+]1
CSC[C@@H](C)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 CSC[*:1] C[C@@H](C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1)[*:1]
CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CC(C)C)CC1 CC(C)[*:1] CCNC(=O)C1(CCN(CC1)C(=O)C[*:1])Cc1ccccc1-c1cccnc1
CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CC(C)C)CC1 CC(C)C[*:1] CCNC(=O)C1(CCN(CC1)C(=O)[*:1])Cc1ccccc1-c1cccnc1
CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CC(C)C)CC1 c1cncc(c1)[*:1] CCNC(=O)C1(CCN(CC1)C(=O)CC(C)C)Cc1ccccc1[*:1]
CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CC(C)C)CC1 CCNC(=O)[*:1] CC(C)CC(=O)N1CCC(CC1)(Cc1ccccc1-c1cccnc1)[*:1]
CCCc1nn(-c2ccncn2)c(Cl)c1[N+](=O)[O-] CCC[*:1] O=[N+]([O-])c1c(nn(-c2ccncn2)c1Cl)[*:1]
CCCc1nn(-c2ccncn2)c(Cl)c1[N+](=O)[O-] c1cc(ncn1)[*:1] CCCc1nn(c(Cl)c1[N+](=O)[O-])[*:1]
CCCc1nn(-c2ccncn2)c(Cl)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCc1nn(-c2ccncn2)c(Cl)c1[*:1]
O=C(Nc1ccc2c3c(c(=O)[nH]c2c1)CCCC3)c1ccc2nsnc2c1 c1cc2nsnc2cc1[*:1] O=C(Nc1ccc2c3CCCCc3c(=O)[nH]c2c1)[*:1]
C[C@@H]1CC(c2nc(-c3cc(Br)cs3)no2)C[C@@H](C)O1 Brc1csc(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)c1nc(no1)[*:1]
CC[NH2+][C@H](C)[C@@H](c1nc([C@@H]2CN(C)CCO2)no1)C(C)C CC(C)[*:1] CC[NH2+][C@H](C)[C@@H](c1nc(no1)[C@@H]1CN(C)CCO1)[*:1]
CC[NH2+][C@H](C)[C@@H](c1nc([C@@H]2CN(C)CCO2)no1)C(C)C CN1CCO[C@@H](C1)[*:1] CC[NH2+][C@H](C)[C@@H](c1nc(no1)[*:1])C(C)C
COC(=O)CCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccc(SC)cc1 CSc1ccc(cc1)[*:1] COC(=O)CCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1[*:1]
COC(=O)CCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccc(SC)cc1 COC(=O)[*:1] CSc1ccc(cc1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)CC[*:1]
COC(=O)CCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccc(SC)cc1 COC(=O)CC[*:1] CSc1ccc(cc1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)[*:1]
COC(=O)CCC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccc(SC)cc1 COC(=O)C[*:1] CSc1ccc(cc1)[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)C[*:1]
CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2CC[NH+](C)C)cc1 CCc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]1[*:1]
CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2CC[NH+](C)C)cc1 Cc1ccc(C)c(c1)C(=O)[*:1] CCc1ccc(cc1)[C@@H]1C(=C([O-])C(=O)N1CC[NH+](C)C)[*:1]
CCc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2CC[NH+](C)C)cc1 Cc1ccc(C)c(c1)[*:1] CCc1ccc(cc1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1CC[NH+](C)C
CC(=O)OCC(=O)N1CC(=O)N2C[C@@H](C)c3ccccc3[C@H]2C1 CC(=O)OC[*:1] C[C@@H]1CN2C(=O)CN(C[C@@H]2c2ccccc21)C(=O)[*:1]
CC(=O)OCC(=O)N1CC(=O)N2C[C@@H](C)c3ccccc3[C@H]2C1 CC(=O)O[*:1] C[C@@H]1CN2C(=O)CN(C[C@@H]2c2ccccc21)C(=O)C[*:1]
CC(C)c1ocnc1C[S@@](=O)Cc1cccnc1Cl CC(C)[*:1] O=[S@@](Cc1cccnc1Cl)Cc1ncoc1[*:1]
CCN(CCC#N)S(=O)(=O)/C=C/c1ccc(Cl)cc1 N#CCC[*:1] CCN(S(=O)(=O)/C=C/c1ccc(Cl)cc1)[*:1]
CCN(CCC#N)S(=O)(=O)/C=C/c1ccc(Cl)cc1 N#CC[*:1] CCN(C[*:1])S(=O)(=O)/C=C/c1ccc(Cl)cc1
CCn1nnnc1-c1cccc(NC(=O)[C@H](C)CCOC)c1 COCC[*:1] CCn1nnnc1-c1cccc(c1)NC(=O)[C@H](C)[*:1]
CCn1nnnc1-c1cccc(NC(=O)[C@H](C)CCOC)c1 COCC[C@@H](C)[*:1] CCn1nnnc1-c1cccc(c1)NC(=O)[*:1]
CCn1nnnc1-c1cccc(NC(=O)[C@H](C)CCOC)c1 COC[*:1] CCn1nnnc1-c1cccc(c1)NC(=O)[C@H](C)C[*:1]
CCn1nnnc1-c1cccc(NC(=O)[C@H](C)CCOC)c1 CCn1nnnc1[*:1] COCC[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
COc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)C(C)C Fc1cccc(c1)[*:1] COc1cc(ccc1NC(=O)C(C)C)NC(=O)[*:1]
COc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)C(C)C CC(C)C(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)c1cccc(F)c1
COc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)C(C)C CC(C)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)c1cccc(F)c1
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@H]1Cc2ccccc2O1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1NC(=O)[C@H]1Cc2ccccc2O1)[*:1]
Cn1cc([C@@H]2CCCN2C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cn1 Cn1cc(cn1)[*:1] O=C([C@H]1CCCN(C1)c1cccc[nH+]1)N1CCC[C@H]1[*:1]
CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(COc2ccc(F)cc2)n1N Fc1ccc(cc1)O[*:1] CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(C[*:1])n1N
CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(COc2ccc(F)cc2)n1N Fc1ccc(cc1)OC[*:1] CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(n1N)[*:1]
CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(COc2ccc(F)cc2)n1N Fc1ccc(cc1)[*:1] CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(CO[*:1])n1N
CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(C)ccc2C)c1C CCc1ccccc1[*:1] Cc1ccc(C)c(c1)NC(=O)c1nnn(CC(=O)N[*:1])c1C
CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(C)ccc2C)c1C Cc1ccc(C)c(c1)[*:1] CCc1ccccc1NC(=O)Cn1nnc(C(=O)N[*:1])c1C
CCOc1ccc(NC(=O)c2c(F)ccc(OCC)c2F)cn1 CCO[*:1] CCOc1ccc(cn1)NC(=O)c1c(F)ccc(c1F)[*:1]
CCOc1ccc(NC(=O)c2c(F)ccc(OCC)c2F)cn1 CCO[*:1] CCOc1ccc(F)c(C(=O)Nc2ccc(nc2)[*:1])c1F
O=[N+]([O-])c1ccc(NCC2CCC2)c([N+](=O)[O-])c1 C1CC(C1)CN[*:1] O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])[*:1]
O=[N+]([O-])c1ccc(NCC2CCC2)c([N+](=O)[O-])c1 C1CC(C1)C[*:1] O=[N+]([O-])c1ccc(N[*:1])c(c1)[N+](=O)[O-]
O=[N+]([O-])c1ccc(NCC2CCC2)c([N+](=O)[O-])c1 C1CC(C1)[*:1] O=[N+]([O-])c1ccc(NC[*:1])c(c1)[N+](=O)[O-]
O=[N+]([O-])c1ccc(NCC2CCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(NCC2CCC2)c(c1)[*:1]
O=[N+]([O-])c1ccc(NCC2CCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1NCC1CCC1)[*:1]
CC(C)CN1CCO[C@H](CNS(=O)(=O)/C=C/c2ccccc2)C1 CC(C)C[*:1] O=S(=O)(/C=C/c1ccccc1)NC[C@@H]1CN(CCO1)[*:1]
CC(C)CN1CCO[C@H](CNS(=O)(=O)/C=C/c2ccccc2)C1 CC(C)[*:1] O=S(=O)(/C=C/c1ccccc1)NC[C@@H]1CN(CCO1)C[*:1]
CC(C)CN1CCO[C@H](CNS(=O)(=O)/C=C/c2ccccc2)C1 c1ccc(cc1)[*:1] CC(C)CN1CCO[C@H](CNS(=O)(=O)C=C[*:1])C1
CC(C)N(CCCO)C(=O)[C@H]1CC[C@H](C[NH3+])O1 CC(C)[*:1] [NH3+]C[C@H]1CC[C@@H](O1)C(=O)N(CCCO)[*:1]
CC(C)N(CCCO)C(=O)[C@H]1CC[C@H](C[NH3+])O1 OCC[*:1] CC(C)N(C[*:1])C(=O)[C@H]1CC[C@H](C[NH3+])O1
CC(C)N(CCCO)C(=O)[C@H]1CC[C@H](C[NH3+])O1 OCCC[*:1] CC(C)N(C(=O)[C@H]1CC[C@H](C[NH3+])O1)[*:1]
Cc1nc(C)c(CNC(=O)N[C@H]2CCCn3c(C)nnc32)s1 Cc1nc(C)c(s1)[*:1] Cc1nnc2[C@H](CCCn12)NC(=O)NC[*:1]
C[C@@H](OC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccn1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)[C@H]1CCCN(C1)C(=O)C[*:1])c1ccccn1
C[C@@H](OC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccn1 c1ccc(nc1)[*:1] C[C@@H](OC(=O)[C@H]1CCCN(C1)C(=O)Cc1ccccc1)[*:1]
C[C@@H](OC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccccn1 c1ccc(cc1)C[*:1] C[C@@H](OC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1ccccn1
CC[C@H](CBr)C[C@@H]1CCCN(S(C)(=O)=O)C1 CC[C@H](CBr)[*:1] CS(=O)(=O)N1CCC[C@H](C1)C[*:1]
Cc1c(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)nc2c(Cl)cccn12 Fc1cccc(c1)[*:1] Cc1c(nc2c(Cl)cccn12)C(=O)N1CCCN(CC1)C(=O)C[*:1]
Cc1c(C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)nc2c(Cl)cccn12 Fc1cccc(c1)C[*:1] Cc1c(nc2c(Cl)cccn12)C(=O)N1CCCN(CC1)C(=O)[*:1]
CC[C@](C)(NCc1nnc(Cc2ccccc2)o1)c1nc(C)cs1 c1ccc(cc1)C[*:1] CC[C@](C)(NCc1nnc(o1)[*:1])c1nc(C)cs1
CC[C@](C)(NCc1nnc(Cc2ccccc2)o1)c1nc(C)cs1 c1ccc(cc1)[*:1] CC[C@](C)(NCc1nnc(C[*:1])o1)c1nc(C)cs1
CC[C@](C)(NCc1nnc(Cc2ccccc2)o1)c1nc(C)cs1 Cc1csc(n1)[*:1] CC[C@](C)(NCc1nnc(Cc2ccccc2)o1)[*:1]
CCOc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)N[C@@H](C)CC)cc1 CC[C@H](C)NC(=O)[*:1] CCOc1ccc(cc1)CN1C(=O)CC[C@]1(C)[*:1]
CCOc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)N[C@@H](C)CC)cc1 CC[C@H](C)[*:1] CCOc1ccc(cc1)CN1C(=O)CC[C@@]1(C)C(=O)N[*:1]
CCOc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)N[C@@H](C)CC)cc1 CCO[*:1] CC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1Cc1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 Cc1ccc(cc1)[*:1] O=C([C@@H]1CCCCN1S(=O)(=O)[*:1])N1CC=C(CC1)c1c[nH]c2ccccc12
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 c1ccc2c(c[nH]c2c1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1C(=O)N1CC=C(CC1)[*:1]
COC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)C(N)=O C1CC1[*:1] COC[C@@H](NC(=O)c1cc(nc2c1c(C)nn2C)[*:1])C(N)=O
COC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)C(N)=O COC[C@@H](C(N)=O)[*:1] Cc1nn(C)c2nc(cc(C(=O)N[*:1])c12)C1CC1
COC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)C(N)=O NC(=O)[*:1] COC[C@@H](NC(=O)c1cc(nc2c1c(C)nn2C)C1CC1)[*:1]
COC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)C(N)=O COC[*:1] Cc1nn(C)c2nc(cc(C(=O)N[C@@H](C(N)=O)[*:1])c12)C1CC1
Cn1cc([C@](C)(O)CNC(=O)c2cc(F)ccc2O)cn1 Cn1cc(cn1)[*:1] C[C@](O)(CNC(=O)c1cc(F)ccc1O)[*:1]
CC(C)(CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1CCCC1 CC(C)(C)[*:1] CC(C)(CNC(=O)C(=O)Nc1nn(cc1C#N)[*:1])C1CCCC1
CC(C)(CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1CCCC1 CC(C)(C1CCCC1)[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)NC[*:1]
CC(C)(CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1CCCC1 C1CCC(C1)[*:1] CC(C)(C)n1cc(C#N)c(n1)NC(=O)C(=O)NCC(C)(C)[*:1]
COC(=O)C1=C[C@@H](S(=O)(=O)N2CC[C@H](c3cc(OC)ccc3OC)C2)C=N1 COC(=O)[*:1] COc1ccc(OC)c(c1)[C@H]1CCN(C1)S(=O)(=O)[C@H]1C=NC(=C1)[*:1]
COc1cc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(C)cc2)c(OC)cc1Cl Cc1ccc(cc1)[*:1] COc1cc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2[*:1])c(cc1Cl)OC
CC(=O)N[C@H]1CCCN(C(=O)CN2C[C@H](C)OC[C@H]2C)C1 CC(=O)N[*:1] C[C@H]1CN(CC(=O)N2CCC[C@@H](C2)[*:1])[C@H](C)CO1
O=C1c2ccccc2N[C@H](SC/C([O-])=N/c2ncn[nH]2)N1c1ccc(F)cc1 c1n[nH]c(n1)[*:1] O=C1c2ccccc2N[C@H](SCC([O-])=N[*:1])N1c1ccc(F)cc1
O=C1c2ccccc2N[C@H](SC/C([O-])=N/c2ncn[nH]2)N1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@H](SC/C([O-])=N/c2ncn[nH]2)N1[*:1]
Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]C(C)(C)C)c(C)c1 CC(C)(C)[*:1] Cc1ccc(c(C)c1)[C@H]1OCCC[C@H]1C[NH2+][*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4cccnc4)[C@H]3c3ccncc3)ccc2O1 C[C@H]1Cc2cc(ccc2O1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccncc2)N1Cc1cccnc1
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4cccnc4)[C@H]3c3ccncc3)ccc2O1 c1cc(ccn1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4cccnc4)[C@H]3c3ccncc3)ccc2O1 c1cncc(c1)C[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccncc1)[*:1]
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(Cc4cccnc4)[C@H]3c3ccncc3)ccc2O1 c1cncc(c1)[*:1] C[C@H]1Cc2cc(ccc2O1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccncc1
COCc1cc(C(=O)Nc2cccc(-c3nnnn3C)c2)ccc1F Cn1nnnc1[*:1] COCc1cc(ccc1F)C(=O)Nc1cccc(c1)[*:1]
COCc1cc(C(=O)Nc2cccc(-c3nnnn3C)c2)ccc1F COC[*:1] Cn1nnnc1-c1cccc(c1)NC(=O)c1ccc(F)c(c1)[*:1]
Cc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1C O=[N+]([O-])[*:1] Cc1cccc(c1C)N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc(cc12)[*:1]
Cc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1C Cc1cccc(c1C)[*:1] C[C@]12C[C@H](NC(=O)N1[*:1])c1cc(ccc1O2)[N+](=O)[O-]
CC(C)c1cccc(NC(=O)c2ccc[nH]c2=S)c1 CC(C)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccc[nH]c1=S
O=C(C1CCCCC1)N1CCN(C[C@@H](O)c2cccc(F)c2)CC1 C1CCC(CC1)[*:1] O=C(N1CCN(CC1)C[C@@H](O)c1cccc(F)c1)[*:1]
O=C(C1CCCCC1)N1CCN(C[C@@H](O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] O=C(C1CCCCC1)N1CCN(CC1)C[C@@H](O)[*:1]
CC(=O)NCCc1ccc([C@H](C)NC[C@@H]2C[NH+]3CCN2CC3)cc1 CC(=O)NCC[*:1] C[C@H](NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc([C@H](C)NC[C@@H]2C[NH+]3CCN2CC3)cc1 CC(=O)NC[*:1] C[C@H](NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(cc1)C[*:1]
CC(=O)NCCc1ccc([C@H](C)NC[C@@H]2C[NH+]3CCN2CC3)cc1 CC(=O)N[*:1] C[C@H](NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(cc1)CC[*:1]
CC1(C)Cc2c(sc(NC(=O)c3ccc(Br)s3)c2C#N)C(C)(C)[NH2+]1 Brc1ccc(s1)[*:1] CC1(C)Cc2c(sc(NC(=O)[*:1])c2C#N)C(C)(C)[NH2+]1
CS(=O)(=O)c1ccc(SCCCCS)cc1 SCCC[*:1] CS(=O)(=O)c1ccc(cc1)SC[*:1]
CS(=O)(=O)c1ccc(SCCCCS)cc1 SCCCC[*:1] CS(=O)(=O)c1ccc(cc1)S[*:1]
CS(=O)(=O)c1ccc(SCCCCS)cc1 SCC[*:1] CS(=O)(=O)c1ccc(cc1)SCC[*:1]
CS(=O)(=O)c1ccc(SCCCCS)cc1 CS(=O)(=O)[*:1] SCCCCSc1ccc(cc1)[*:1]
C[C@H]1Cc2ccccc2N1CC(C)(C)C(=O)NN NNC(=O)[*:1] C[C@H]1Cc2ccccc2N1CC(C)(C)[*:1]
O=C(NNc1nc2c(F)cc(F)cc2s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] O=C(NNc1nc2c(F)cc(F)cc2s1)c1ccc(cc1)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)c1cc(Cl)c2c(c1)OCO2 OCC[*:1] C[C@H](N(Cc1ccccc1)C(=O)c1cc(Cl)c2OCOc2c1)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)c1cc(Cl)c2c(c1)OCO2 c1ccc(cc1)C[*:1] C[C@H](CCO)N(C(=O)c1cc(Cl)c2OCOc2c1)[*:1]
C[C@H](CCO)N(Cc1ccccc1)C(=O)c1cc(Cl)c2c(c1)OCO2 c1ccc(cc1)[*:1] C[C@H](CCO)N(C[*:1])C(=O)c1cc(Cl)c2OCOc2c1
[NH3+][C@H]1CCC[C@@H](Nc2cccc(-c3nccs3)c2)C1 c1csc(n1)[*:1] [NH3+][C@H]1CCC[C@H](C1)Nc1cccc(c1)[*:1]
CC[NH2+][C@@]1(C(=O)[O-])CC[C@H](Oc2ccc3c(c2)OCO3)C1 O=C([O-])[*:1] CC[NH2+][C@]1(CC[C@@H](C1)Oc1ccc2OCOc2c1)[*:1]
C[NH+](C)CCNC(=O)C(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1 CC(C)(C)[*:1] C[NH+](C)CCNC(=O)C(=O)NCC1CCN(CC1)C(=O)N[*:1]
COC(=O)c1cc(S(=O)(=O)Oc2cc(C)ccc2C)cn1C COC(=O)[*:1] Cc1ccc(C)c(c1)OS(=O)(=O)c1cc(n(C)c1)[*:1]
CC(C)Oc1ccc(F)cc1NC(=O)N[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=C(Nc1cc(F)ccc1O[*:1])N[C@H]1CCS(=O)(=O)C1
CC(C)Oc1ccc(F)cc1NC(=O)N[C@H]1CCS(=O)(=O)C1 CC(C)O[*:1] O=C(Nc1cc(F)ccc1[*:1])N[C@H]1CCS(=O)(=O)C1
COc1ccc(N2C(=O)C[C@@H](Sc3nc4ccccc4c(=O)n3-c3ccccc3)C2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C(=O)C[C@@H](Sc2nc3ccccc3c(=O)n2[*:1])C1=O
COc1ccc(N2C(=O)C[C@@H](Sc3nc4ccccc4c(=O)n3-c3ccccc3)C2=O)cc1 COc1ccc(cc1)[*:1] O=C1C[C@@H](Sc2nc3ccccc3c(=O)n2-c2ccccc2)C(=O)N1[*:1]
Cc1nn(C)c(C)c1OS(=O)(=O)c1cnn(C(C)C)c1 CC(C)[*:1] Cc1nn(C)c(C)c1OS(=O)(=O)c1cnn(c1)[*:1]
COc1cc(Cl)c(C)cc1NC(=O)C(=O)N[C@@H](C)CO C[C@@H](CO)[*:1] COc1cc(Cl)c(C)cc1NC(=O)C(=O)N[*:1]
CC(C)(CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] O=C(NC[*:1])[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
CC(C)(CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[*:1]
CC(C)c1nc(CC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cs1 Oc1ccc(cc1)[*:1] CC(C)c1nc(cs1)CC(=O)N1CCC(CC1)C(=O)[*:1]
CC(C)c1nc(CC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cs1 CC(C)[*:1] O=C(c1ccc(O)cc1)C1CCN(CC1)C(=O)Cc1csc(n1)[*:1]
CC(C)c1nc(CC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cs1 CC(C)c1nc(cs1)[*:1] O=C(c1ccc(O)cc1)C1CCN(CC1)C(=O)C[*:1]
Cc1csc(N2CCCN(C(=O)NCC(C)(C)c3ccncc3)CC2)n1 c1cc(ccn1)[*:1] Cc1csc(n1)N1CCCN(CC1)C(=O)NCC(C)(C)[*:1]
Cc1csc(N2CCCN(C(=O)NCC(C)(C)c3ccncc3)CC2)n1 Cc1csc(n1)[*:1] CC(C)(CNC(=O)N1CCCN(CC1)[*:1])c1ccncc1
Cc1ccc(C)c2sc(OC3CCN(C(=O)[C@@H]4CC(=O)N(c5ccc(F)cc5)C4)CC3)nc12 Fc1ccc(cc1)[*:1] Cc1ccc(C)c2sc(nc12)OC1CCN(CC1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(C)c2sc(OC3CCN(C(=O)[C@@H]4CC(=O)N(c5ccc(F)cc5)C4)CC3)nc12 Cc1ccc(C)c2sc(nc12)[*:1] O=C([C@@H]1CC(=O)N(C1)c1ccc(F)cc1)N1CCC(CC1)O[*:1]
C[C@]1(c2ccco2)NC(=O)N(CC(F)(F)F)C1=O FC(F)(F)C[*:1] C[C@@]1(NC(=O)N(C1=O)[*:1])c1ccco1
C[C@]1(c2ccco2)NC(=O)N(CC(F)(F)F)C1=O c1coc(c1)[*:1] C[C@@]1(NC(=O)N(CC(F)(F)F)C1=O)[*:1]
C[C@]1(c2ccco2)NC(=O)N(CC(F)(F)F)C1=O FC(F)(F)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1ccco1
CC(C)[NH2+]Cc1cc(C#N)cs1 CC(C)[*:1] N#Cc1csc(c1)C[NH2+][*:1]
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N1CCCCCC1 O=[N+]([O-])[*:1] O=C(Cn1ncc2cc(ccc21)[*:1])N1CCCCCC1
CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 CCC[*:1] C[C@@H]1CCCN(C(=O)C2CCN(CC2)C(=O)CCc2ccccc2)[C@@H]1[*:1]
CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CCN(CC1)C(=O)C[*:1]
CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CCN(CC1)C(=O)CC[*:1]
CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CCN(CC1)C(=O)[*:1]
O=C(Nc1nc2ccccc2s1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 c1ccc2sc(nc2c1)[*:1] O=C(N[*:1])c1cc(-c2cccs2)n(n1)[C@@H]1CCS(=O)(=O)C1
O=C(Nc1nc2ccccc2s1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 c1csc(c1)[*:1] O=C(Nc1nc2ccccc2s1)c1cc(n(n1)[C@@H]1CCS(=O)(=O)C1)[*:1]
C[C@@H]1CCCCN1c1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]1CCCCN1c1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[*:1]
C[C@@H]1CCCCN1c1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] C[C@@H]1CCCCN1[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)Nc1ncnc(c1[N+](=O)[O-])[*:1]
CC(=O)c1ccc(Nc2nccc3n[nH]c(=O)n23)cc1 CC(=O)[*:1] O=c1[nH]nc2ccnc(Nc3ccc(cc3)[*:1])n12
Cc1ccc(NC(=O)COC(=O)c2ccc(C)nc2)cc1 Cc1ccc(cn1)[*:1] Cc1ccc(cc1)NC(=O)COC(=O)[*:1]
Cc1ccc(NC(=O)COC(=O)c2ccc(C)nc2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cn1)C(=O)OCC(=O)N[*:1]
CC(C)c1cccc(NC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 CC(C)[*:1] Cn1c(=O)c2c(ncn2CCCC(=O)Nc2cccc(c2)[*:1])n(C)c1=O
CC(C)c1cccc(NC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 CC(C)c1cccc(c1)[*:1] Cn1c(=O)c2c(ncn2CCCC(=O)N[*:1])n(C)c1=O
CC(=O)c1ccccc1O/C(C)=N/O CC(=O)[*:1] C/C(=N\O)Oc1ccccc1[*:1]
C[C@@H](O)[C@H]1CCCc2cccnc21 C[C@@H](O)[*:1] c1cnc2c(c1)CCC[C@@H]2[*:1]
CCC(CC)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 CCC(CC)C[*:1] Cc1cc(C(=O)NC2CC[NH+](CC2)[*:1])c(C)o1
CCC(CC)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 Cc1cc(c(C)o1)[*:1] CCC(CC)C[NH+]1CCC(CC1)NC(=O)[*:1]
CCC(CC)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 CCC(CC)[*:1] Cc1cc(C(=O)NC2CC[NH+](CC2)C[*:1])c(C)o1
O=C(C[C@H]1CCCN1C(=O)c1[nH]nc2c1CCCC2)c1ccccc1 c1ccc(cc1)[*:1] O=C(c1[nH]nc2CCCCc21)N1CCC[C@@H]1CC(=O)[*:1]
O=C(C[C@H]1CCCN1C(=O)c1[nH]nc2c1CCCC2)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(c1[nH]nc2CCCCc21)N1CCC[C@@H]1C[*:1]
Cc1cc(C(=O)N2CCC(CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)no1 FC(F)(F)[*:1] Cc1cc(no1)C(=O)N1CCC(CC1)CNC(=O)c1ccc(cc1)[*:1]
Cc1cc(C(=O)N2CCC(CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)no1 Cc1cc(no1)[*:1] O=C(NCC1CCN(CC1)C(=O)[*:1])c1ccc(cc1)C(F)(F)F
O=C(NC1CCCC1)c1sc(=S)n2c1nc([O-])c1cc3c(cc12)OCO3 C1CCC(C1)[*:1] O=C(N[*:1])c1sc(=S)n2c1nc([O-])c1cc3OCOc3cc12
O=C(NC1CCCC1)c1sc(=S)n2c1nc([O-])c1cc3c(cc12)OCO3 O=C(NC1CCCC1)[*:1] [O-]c1nc2c(sc(=S)n2c2cc3OCOc3cc12)[*:1]
C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)N1CCCN(CC1)S(C)(=O)=O)[*:1]
CCOc1c(Br)cc(C(=O)O[C@@H](C#N)CC)cc1OC CCO[*:1] CC[C@H](C#N)OC(=O)c1cc(Br)c(c(c1)OC)[*:1]
C[C@H](CC(=O)NC[C@@H](C)c1cccs1)c1ccccc1 c1csc(c1)[*:1] C[C@H](CC(=O)NC[C@@H](C)[*:1])c1ccccc1
C[C@H](CC(=O)NC[C@@H](C)c1cccs1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)C[C@@H](C)[*:1])c1cccs1
[NH3+][C@H]1C=C[C@H](C(=O)N2CC[NH+](CC(=O)[O-])CC2)C1 O=C([O-])C[*:1] [NH3+][C@H]1C=C[C@@H](C1)C(=O)N1CC[NH+](CC1)[*:1]
[NH3+][C@H]1C=C[C@H](C(=O)N2CC[NH+](CC(=O)[O-])CC2)C1 O=C([O-])[*:1] [NH3+][C@H]1C=C[C@@H](C1)C(=O)N1CC[NH+](CC1)C[*:1]
Cc1ccc2c(c1)C(=O)N[C@]1(CC[C@H]3CN(C(=O)c4snnc4C)C[C@H]31)N2 Cc1nnsc1[*:1] Cc1ccc2N[C@@]3(CC[C@H]4CN(C[C@H]43)C(=O)[*:1])NC(=O)c2c1
C[C@H](O)[C@H]([NH3+])c1nc([C@@H]2CSCCO2)no1 C[C@H](O)[*:1] [NH3+][C@H](c1nc(no1)[C@@H]1CSCCO1)[*:1]
COc1cc(C)c([C@@H](C)NC(=O)N[C@@H](C)c2ncc(C)s2)cc1OC Cc1cnc(s1)[*:1] COc1cc(C)c(cc1OC)[C@@H](C)NC(=O)N[C@@H](C)[*:1]
COc1c(-c2ccccc2)oc2c(OC)c(O)cc(O)c2c1=O c1ccc(cc1)[*:1] COc1c(oc2c(OC)c(O)cc(O)c2c1=O)[*:1]
C[C@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)c1cc(ccc1F)NC(=O)C(C)(C)C)[*:1]
C[C@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)[C@@H]1CCCO1 CC(C)(C)C(=O)N[*:1] C[C@H](NC(=O)c1cc(ccc1F)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)[C@@H]1CCCO1 CC(C)(C)[*:1] C[C@H](NC(=O)c1cc(ccc1F)NC(=O)[*:1])[C@@H]1CCCO1
CC(C)(CNC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccncc1 c1ccc(cc1)[*:1] CC(C)(CNC(=O)NC[C@@H]1CCCO[C@@H]1[*:1])c1ccncc1
CC(C)(CNC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1)[*:1]
CC(C)(CNC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)NC[*:1]
COc1ccccc1OCc1ccc(OC)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccccc1OCc1ccc(OC)c(c1)[*:1]
CSc1ncc(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)cn1 C1CC1C[*:1] CSc1ncc(cn1)C(=O)N1CCC(=O)N([C@H](C1)C(C)C)[*:1]
CSc1ncc(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)cn1 C1CC1[*:1] CSc1ncc(cn1)C(=O)N1CCC(=O)N(C[*:1])[C@H](C1)C(C)C
CSc1ncc(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)cn1 CSc1ncc(cn1)[*:1] CC(C)[C@H]1CN(CCC(=O)N1CC1CC1)C(=O)[*:1]
CSc1ncc(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)cn1 CC(C)[*:1] CSc1ncc(cn1)C(=O)N1CCC(=O)N(CC2CC2)[C@@H](C1)[*:1]
O=C(/C=C/C1CC1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 C(=C[*:1])C1CC1 O=C(NC[C@@H]1CCN(C1)c1ccc(F)c(F)c1)[*:1]
O=C(/C=C/C1CC1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 C1CC1[*:1] O=C(C=C[*:1])NC[C@@H]1CCN(C1)c1ccc(F)c(F)c1
CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 NC(=O)[*:1] CCC[NH+]1CCC(CC1)CNC(=O)C(=O)Nc1ccc(F)c(c1)[*:1]
CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 CCC[*:1] NC(=O)c1cc(ccc1F)NC(=O)C(=O)NCC1CC[NH+](CC1)[*:1]
C[C@H]1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C[C@H]1O FC(F)(F)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)Nc1ccc(F)cc1[*:1]
CCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 c1ccc(cc1)[*:1] CCOc1cc(cc(c1)C(=O)Nc1cc2nn(nc2cc1Cl)[*:1])OCC
CCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 CCO[*:1] CCOc1cc(cc(c1)[*:1])C(=O)Nc1cc2nn(nc2cc1Cl)-c1ccccc1
C[C@H](O)[C@H]([NH3+])C[NH+]1CCCCCC1 C[C@H](O)[*:1] [NH3+][C@H](C[NH+]1CCCCCC1)[*:1]
Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)ccc1C(=O)NC(C)C CC(C)[*:1] Cc1cc(ccc1C(=O)N[*:1])NC(=O)N1CC[C@H](C)[C@@H](O)C1
Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)ccc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N1CC[C@H](C)[C@@H](O)C1
CSC[C@@H](C)C(=O)NC1(c2ccc(F)cc2)CCCC1 CSC[*:1] C[C@@H](C(=O)NC1(CCCC1)c1ccc(F)cc1)[*:1]
Cc1cc[n+]([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] Cc1cc[n+](cc1)[C@H](C)C(=O)Nc1ccccc1[*:1]
Cc1cc[n+]([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1cc[n+](cc1)[C@H](C)C(=O)Nc1ccccc1O[*:1]
CCC[NH2+][C@H](C(C)C)[C@H]1CCOC(C)(C)C1 CCC[*:1] CC(C)[C@@H]([NH2+][*:1])[C@H]1CCOC(C)(C)C1
CCC[NH2+][C@H](C(C)C)[C@H]1CCOC(C)(C)C1 CC(C)[*:1] CCC[NH2+][C@H]([C@H]1CCOC(C)(C)C1)[*:1]
Cn1cnc(CNC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)n1 Cn1cnc(C[*:1])n1 O=C(Nc1ccc(Br)c(c1)C(F)(F)F)N[*:1]
Cn1cnc(CNC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])Nc1ccc(Br)c(c1)C(F)(F)F
Cn1cnc(CNC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)n1 FC(F)(F)[*:1] Cn1cnc(CNC(=O)Nc2ccc(Br)c(c2)[*:1])n1
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCN1CCOCC1 C1CN(CCO1)C[*:1] O=[N+]([O-])c1cc(ccc1NC[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCN1CCOCC1 FC(F)(F)[*:1] O=[N+]([O-])c1cc(ccc1NCCN1CCOCC1)[*:1]
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCN1CCOCC1 C1CN(CCO1)[*:1] O=[N+]([O-])c1cc(ccc1NCC[*:1])C(F)(F)F
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCN1CCOCC1 O=[N+]([O-])[*:1] FC(F)(F)c1ccc(NCCN2CCOCC2)c(c1)[*:1]
CCn1cc(C(=O)N[C@H](C)[C@H]2CCCO2)c(C)n1 C1CO[C@H](C1)[*:1] CCn1cc(C(=O)N[C@H](C)[*:1])c(C)n1
C/C=C(/C)C(=O)[C@@H](C#N)c1nnc(-c2ccccc2)n1C c1ccc(cc1)[*:1] C/C=C(/C)C(=O)[C@@H](C#N)c1nnc(n1C)[*:1]
C/C=C(/C)C(=O)[C@@H](C#N)c1nnc(-c2ccccc2)n1C C/C=C(/C)C(=O)[*:1] Cn1c(nnc1[C@H](C#N)[*:1])-c1ccccc1
C/C=C(/C)C(=O)[C@@H](C#N)c1nnc(-c2ccccc2)n1C CC=C(C)[*:1] Cn1c(nnc1[C@H](C#N)C(=O)[*:1])-c1ccccc1
C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(-n3cccn3)cc2)[C@@H]1C c1cnn(c1)[*:1] C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(cc2)[*:1])[C@@H]1C
O=C(NCC[NH+]1CCCCC1)c1cc(COc2c(F)cccc2F)on1 Fc1cccc(F)c1[*:1] O=C(NCC[NH+]1CCCCC1)c1cc(CO[*:1])on1
COc1cc(OC)cc([C@H]2CCN(c3ncc(Br)cn3)C2)c1 Brc1cnc(nc1)[*:1] COc1cc(cc(c1)[C@H]1CCN(C1)[*:1])OC
Cn1c(C2CC2)nc2cc(NC(=O)Nc3cn[nH]c3)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)Nc1cn[nH]c1)[*:1]
Cn1c(C2CC2)nc2cc(NC(=O)Nc3cn[nH]c3)ccc21 c1n[nH]cc1[*:1] Cn1c(nc2cc(ccc21)NC(=O)N[*:1])C1CC1
COc1ccc2c(c1)N(C(=O)c1cccc([N+](=O)[O-])c1)CCO2 O=[N+]([O-])[*:1] COc1ccc2OCCN(C(=O)c3cccc(c3)[*:1])c2c1
CC(C)C[C@H](C)N(C)C(=O)CN1CCN(C(=O)c2cccc(O)c2)CC1 Oc1cccc(c1)[*:1] CC(C)C[C@H](C)N(C)C(=O)CN1CCN(CC1)C(=O)[*:1]
CC(C)C[C@H](C)N(C)C(=O)CN1CCN(C(=O)c2cccc(O)c2)CC1 CC(C)[*:1] C[C@@H](C[*:1])N(C)C(=O)CN1CCN(CC1)C(=O)c1cccc(O)c1
CC(C)C[C@H](C)N(C)C(=O)CN1CCN(C(=O)c2cccc(O)c2)CC1 CC(C)C[*:1] C[C@H](N(C)C(=O)CN1CCN(CC1)C(=O)c1cccc(O)c1)[*:1]
Cc1ccc(C(=O)N2CCCC[C@@H]2C[C@H](C)O)cn1 C[C@H](O)C[*:1] Cc1ccc(cn1)C(=O)N1CCCC[C@H]1[*:1]
Cc1ccc(C(=O)N2CCCC[C@@H]2C[C@H](C)O)cn1 C[C@H](O)[*:1] Cc1ccc(cn1)C(=O)N1CCCC[C@@H]1C[*:1]
CCOC(=O)c1cccc(NS(=O)(=O)Cc2cccc(C)c2)c1 CCOC(=O)[*:1] Cc1cccc(c1)CS(=O)(=O)Nc1cccc(c1)[*:1]
CCOC(=O)c1cccc(NS(=O)(=O)Cc2cccc(C)c2)c1 Cc1cccc(c1)[*:1] CCOC(=O)c1cccc(c1)NS(=O)(=O)C[*:1]
CCOC(=O)c1csc(N(C)C(=O)C(C)(C)c2ccc(C)cc2)n1 Cc1ccc(cc1)[*:1] CCOC(=O)c1csc(n1)N(C)C(=O)C(C)(C)[*:1]
CCOC(=O)c1csc(N(C)C(=O)C(C)(C)c2ccc(C)cc2)n1 CCOC(=O)[*:1] Cc1ccc(cc1)C(C)(C)C(=O)N(C)c1nc(cs1)[*:1]
CC1(C)CC(NC(=O)C(=O)Nc2cccnc2)CC(C)(C)[NH2+]1 c1cncc(c1)[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)C(=O)N[*:1]
O=C(c1ccco1)N1CCCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 c1coc(c1)[*:1] O=C(N1CCCc2ccc(cc21)NS(=O)(=O)CCc1ccccc1)[*:1]
O=C(c1ccco1)N1CCCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 c1ccc(cc1)[*:1] O=C(c1ccco1)N1CCCc2ccc(cc21)NS(=O)(=O)CC[*:1]
O=C(c1ccco1)N1CCCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 c1ccc(cc1)CC[*:1] O=C(c1ccco1)N1CCCc2ccc(cc21)NS(=O)(=O)[*:1]
O=C(c1ccco1)N1CCCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 c1ccc(cc1)C[*:1] O=C(c1ccco1)N1CCCc2ccc(cc21)NS(=O)(=O)C[*:1]
CC(C)n1ncc2c1C[C@H]([NH3+])CC2 CC(C)[*:1] [NH3+][C@@H]1CCc2cnn(c2C1)[*:1]
CCC[C@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)CCO1 CCC[*:1] O=C(c1cc(=O)c2ccccc2o1)N1CCO[C@H](C1)[*:1]
CC1(C)[C@@H]2CC[C@@]1(C)c1nc3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3nc12 O=[N+]([O-])[*:1] CC1(C)[C@@H]2CC[C@@]1(C)c1nc3ccc(cc3nc12)NC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
O=C(CNC(=O)Nc1ccc(Oc2ccccc2)cc1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(Nc1ccc(cc1)Oc1ccccc1)N[*:1]
O=C(CNC(=O)Nc1ccc(Oc2ccccc2)cc1)NC1CC1 C1CC1[*:1] O=C(CNC(=O)Nc1ccc(cc1)Oc1ccccc1)N[*:1]
O=C(CNC(=O)Nc1ccc(Oc2ccccc2)cc1)NC1CC1 c1ccc(cc1)[*:1] O=C(CNC(=O)Nc1ccc(cc1)O[*:1])NC1CC1
O=C(CNC(=O)Nc1ccc(Oc2ccccc2)cc1)NC1CC1 O=C(NC1CC1)[*:1] O=C(NC[*:1])Nc1ccc(cc1)Oc1ccccc1
O=C(CNC(=O)Nc1ccc(Oc2ccccc2)cc1)NC1CC1 c1ccc(cc1)O[*:1] O=C(CNC(=O)Nc1ccc(cc1)[*:1])NC1CC1
CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ncc(-c3ccccc3)s2)C1 CC[S@](=O)[*:1] c1ccc(cc1)-c1cnc(C[NH2+][C@H]2CCC[C@H](C2)[*:1])s1
CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ncc(-c3ccccc3)s2)C1 c1ccc(cc1)[*:1] CC[S@](=O)[C@@H]1CCC[C@@H](C1)[NH2+]Cc1ncc(s1)[*:1]
CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1cccnc1 CC(C)[*:1] C[C@H](C[*:1])n1nccc1NS(=O)(=O)c1cccnc1
CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1cccnc1 CC(C)C[*:1] C[C@@H](n1nccc1NS(=O)(=O)c1cccnc1)[*:1]
CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1cccnc1 c1cncc(c1)[*:1] CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)[*:1]
CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1cccnc1 CC(C)C[C@@H](C)[*:1] O=S(=O)(Nc1ccnn1[*:1])c1cccnc1
CC(C)c1cc(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)no1 CC(C)c1cc(no1)[*:1] O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N[*:1]
CC(C)c1cc(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)no1 Fc1cc(ccc1Cl)[*:1] CC(C)c1cc(no1)NC(=O)N[C@H]1CCO[C@H]1[*:1]
CC(C)c1cc(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)no1 CC(C)[*:1] O=C(Nc1cc(on1)[*:1])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
COC[C@H](C)[NH+]1CCN(CC(=O)NC(=O)Nc2ccc(C)c(C)c2)CC1 COC[*:1] Cc1ccc(cc1C)NC(=O)NC(=O)CN1CC[NH+](CC1)[C@@H](C)[*:1]
COC[C@H](C)[NH+]1CCN(CC(=O)NC(=O)Nc2ccc(C)c(C)c2)CC1 Cc1ccc(cc1C)[*:1] COC[C@H](C)[NH+]1CCN(CC1)CC(=O)NC(=O)N[*:1]
O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(F)c(F)c2F)C1 O=C([O-])[*:1] O=S(=O)(N[C@H]1C=C[C@@H](C1)[*:1])c1ccc(F)c(F)c1F
CCOCc1cccc(NC(=O)C(=O)NCc2csc(C)n2)c1 CCO[*:1] Cc1nc(cs1)CNC(=O)C(=O)Nc1cccc(c1)C[*:1]
CCOCc1cccc(NC(=O)C(=O)NCc2csc(C)n2)c1 CCOC[*:1] Cc1nc(cs1)CNC(=O)C(=O)Nc1cccc(c1)[*:1]
CCOCc1cccc(NC(=O)C(=O)NCc2csc(C)n2)c1 Cc1nc(cs1)[*:1] CCOCc1cccc(c1)NC(=O)C(=O)NC[*:1]
CCOCc1cccc(NC(=O)C(=O)NCc2csc(C)n2)c1 Cc1nc(cs1)C[*:1] CCOCc1cccc(c1)NC(=O)C(=O)N[*:1]
O=C(CCNC(=O)N1CCCCC[C@@H]1c1ccccc1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(NC[*:1])N1CCCCC[C@@H]1c1ccccc1
O=C(CCNC(=O)N1CCCCC[C@@H]1c1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] O=C(CCNC(=O)N1CCCCC[C@H]1[*:1])N1CCCC1
O=C(CCNC(=O)N1CCCCC[C@@H]1c1ccccc1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(NCC[*:1])N1CCCCC[C@@H]1c1ccccc1
Cc1ccc(N2CC[C@@H](NC(=O)NCCn3cccc3)C2=O)cc1 c1ccn(c1)CC[*:1] Cc1ccc(cc1)N1CC[C@@H](NC(=O)N[*:1])C1=O
Cc1ccc(N2CC[C@@H](NC(=O)NCCn3cccc3)C2=O)cc1 c1ccn(c1)[*:1] Cc1ccc(cc1)N1CC[C@@H](NC(=O)NCC[*:1])C1=O
Cc1ccc(N2CC[C@@H](NC(=O)NCCn3cccc3)C2=O)cc1 c1ccn(c1)C[*:1] Cc1ccc(cc1)N1CC[C@@H](NC(=O)NC[*:1])C1=O
Cc1ccc(N2CC[C@@H](NC(=O)NCCn3cccc3)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(NCCn1cccc1)N[C@@H]1CCN(C1=O)[*:1]
CC(=O)N1N/C(=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)C[C@H]1c1cccs1 c1csc(c1)[*:1] CC(=O)N1N/C(C[C@@H]1[*:1])=C1/C(=O)NC(=O)N(C1=O)C1CCCCC1
CC(=O)N1N/C(=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)C[C@H]1c1cccs1 C1CCC(CC1)[*:1] CC(=O)N1N/C(C[C@H]1c1cccs1)=C1/C(=O)NC(=O)N(C1=O)[*:1]
CCN1CCO[C@H](COc2ccc(C[NH3+])cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CCN1CCO[C@H](COc2ccc(cc2[*:1])C[NH3+])C1
C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(F)cc1 c1ccc(cc1)[*:1] C[C@H](Sc1nnc(C2CC2)n1[*:1])C(=O)c1ccc(F)cc1
C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)[*:1]
C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(F)cc1 C1CC1[*:1] C[C@H](Sc1nnc(n1-c1ccccc1)[*:1])C(=O)c1ccc(F)cc1
C[C@@H](CCCO)NC(=O)CCn1ccnn1 OCCC[*:1] C[C@@H](NC(=O)CCn1ccnn1)[*:1]
C[C@@H](CCCO)NC(=O)CCn1ccnn1 c1cn(nn1)[*:1] C[C@@H](CCCO)NC(=O)CC[*:1]
C[C@@H](CCCO)NC(=O)CCn1ccnn1 OCC[*:1] C[C@@H](C[*:1])NC(=O)CCn1ccnn1
COCc1cccc(NC(=O)NC(C)(C)CO)c1 CC(C)(CO)[*:1] COCc1cccc(c1)NC(=O)N[*:1]
COCc1cccc(NC(=O)NC(C)(C)CO)c1 COC[*:1] CC(C)(CO)NC(=O)Nc1cccc(c1)[*:1]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1S(=O)(=O)[N-][*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1S(=O)(=O)[N-]c1ccc(Cl)cc1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)N(C)C[C@H]1COc2ccccc2O1 O=C(N[*:1])c1ccoc1 C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)N(C)C[C@H]1COc2ccccc2O1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N(C)C[C@H]1COc2ccccc2O1
Cc1c(O[C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)ccc2c3c(c(=O)oc12)CCC3 c1ccc2c(c[nH]c2c1)[*:1] Cc1c(ccc2c3CCCc3c(=O)oc12)O[C@@H](C)C(=O)NCC[*:1]
Cc1c(O[C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)ccc2c3c(c(=O)oc12)CCC3 c1ccc2c(c[nH]c2c1)C[*:1] Cc1c(ccc2c3CCCc3c(=O)oc12)O[C@@H](C)C(=O)NC[*:1]
O=C(NCCCCn1cnnc1)c1c(F)cccc1F c1nncn1C[*:1] O=C(NCCC[*:1])c1c(F)cccc1F
O=C(NCCCCn1cnnc1)c1c(F)cccc1F c1nncn1[*:1] O=C(NCCCC[*:1])c1c(F)cccc1F
Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1ccccc1NC(=O)C(=O)NC[*:1]
Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1ccccc1NC(=O)C(=O)N[*:1]
O=C(CSc1nnc(N2CCCC2)s1)NC[C@@H]1CCCO1 C1CCN(C1)[*:1] O=C(CSc1nnc(s1)[*:1])NC[C@@H]1CCCO1
O=C(CSc1nnc(N2CCCC2)s1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(CSc1nnc(s1)N1CCCC1)NC[*:1]
O=C(CSc1nnc(N2CCCC2)s1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(CSc1nnc(s1)N1CCCC1)N[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)c1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1CCCNC(=O)Nc1cccc(C(C)C)c1 CC(C)[*:1] Cc1noc(C)c1CCCNC(=O)Nc1cccc(c1)[*:1]
Cc1noc(C)c1CCCNC(=O)Nc1cccc(C(C)C)c1 Cc1noc(C)c1[*:1] CC(C)c1cccc(c1)NC(=O)NCCC[*:1]
CCOc1cc2c(cc1/C=C/C(=O)N1CC[C@H](C)[C@H](O)C1)O[C@H](C)C2 CCO[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)/C=C/c1cc2O[C@H](C)Cc2cc1[*:1]
CC(C)[C@@H](C[NH3+])C(=O)N1[C@@H](C(=O)[O-])CC[C@H]2CCCC[C@H]21 O=C([O-])[*:1] CC(C)[C@@H](C[NH3+])C(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1[*:1]
CC(C)[C@@H](C[NH3+])C(=O)N1[C@@H](C(=O)[O-])CC[C@H]2CCCC[C@H]21 CC(C)[*:1] [NH3+]C[C@@H](C(=O)N1[C@H](CC[C@H]2CCCC[C@H]21)C(=O)[O-])[*:1]
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1C(C#N)=C(N)OC2CCCC(=O)C=21
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1C(C#N)=C(N)OC2CCCC(=O)C=21
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] COc1cc(ccc1OCc1cccc(c1)[*:1])[C@@H]1C(C#N)=C(N)OC2CCCC(=O)C=21
CC[C@@H](C)CN(CC)[C@@H](C[NH3+])c1cccc(Cl)c1Cl CC[C@@H](C)C[*:1] CCN([C@@H](C[NH3+])c1cccc(Cl)c1Cl)[*:1]
CC[C@@H](C)CN(CC)[C@@H](C[NH3+])c1cccc(Cl)c1Cl CC[C@@H](C)[*:1] CCN(C[*:1])[C@@H](C[NH3+])c1cccc(Cl)c1Cl
CC(C)c1cc(C(=O)NCC[C@H](O)c2ccccc2)nn1C(C)(C)C O[C@H](c1ccccc1)[*:1] CC(C)c1cc(nn1C(C)(C)C)C(=O)NCC[*:1]
CC(C)c1cc(C(=O)NCC[C@H](O)c2ccccc2)nn1C(C)(C)C CC(C)(C)[*:1] CC(C)c1cc(nn1[*:1])C(=O)NCC[C@H](O)c1ccccc1
CC(C)c1cc(C(=O)NCC[C@H](O)c2ccccc2)nn1C(C)(C)C CC(C)[*:1] CC(C)(C)n1nc(cc1[*:1])C(=O)NCC[C@H](O)c1ccccc1
CC(C)c1cc(C(=O)NCC[C@H](O)c2ccccc2)nn1C(C)(C)C c1ccc(cc1)[*:1] CC(C)c1cc(nn1C(C)(C)C)C(=O)NCC[C@H](O)[*:1]
O=C(NC[C@@H]1CCCCO1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 C1CC[C@@H](C[*:1])OC1 O=C(Nc1ccc2[nH]c(nc2c1)C(F)F)C(=O)N[*:1]
O=C(NC[C@@H]1CCCCO1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 FC(F)[*:1] O=C(NC[C@@H]1CCCCO1)C(=O)Nc1ccc2[nH]c(nc2c1)[*:1]
O=C(NC[C@@H]1CCCCO1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 C1CC[C@H](OC1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc2[nH]c(nc2c1)C(F)F
O=C([C@@H]1Cc2ccccc2N1C(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C([C@@H]1Cc2ccccc2N1C(=O)c1ccccc1)N1CCN(CC1)[*:1]
O=C([C@@H]1Cc2ccccc2N1C(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C([C@@H]1Cc2ccccc2N1C(=O)[*:1])N1CCN(CC1)c1ccccc1F
CCC[NH2+][C@H]1c2ccccc2[C@@H](CCC)[C@H]1C CCC[*:1] CCC[C@@H]1c2ccccc2[C@H]([NH2+][*:1])[C@@H]1C
CCC[NH2+][C@H]1c2ccccc2[C@@H](CCC)[C@H]1C CCC[*:1] CCC[NH2+][C@H]1c2ccccc2[C@@H]([C@H]1C)[*:1]
O=C(NCCSc1ccccc1)c1ccccc1O c1ccc(cc1)[*:1] O=C(NCCS[*:1])c1ccccc1O
CC(C)S(=O)(=O)N(Cc1nc(-c2ccoc2)no1)c1ccccc1F CC(C)[*:1] O=S(=O)(N(Cc1nc(no1)-c1ccoc1)c1ccccc1F)[*:1]
CC(C)S(=O)(=O)N(Cc1nc(-c2ccoc2)no1)c1ccccc1F Fc1ccccc1[*:1] CC(C)S(=O)(=O)N(Cc1nc(no1)-c1ccoc1)[*:1]
CC(C)S(=O)(=O)N(Cc1nc(-c2ccoc2)no1)c1ccccc1F c1cc(co1)[*:1] CC(C)S(=O)(=O)N(Cc1nc(no1)[*:1])c1ccccc1F
CCN(C(=O)N[C@H](C)c1cccc(Cl)c1)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(C(=O)N[C@H](C)c1cccc(Cl)c1)[C@@H](C)C[*:1]
CCN(C(=O)N[C@H](C)c1cccc(Cl)c1)[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(C(=O)N[C@H](C)c1cccc(Cl)c1)[C@@H](C)[*:1]
CCN(C(=O)N[C@H](C)c1cccc(Cl)c1)[C@@H](C)CS(C)(=O)=O C[C@@H](CS(C)(=O)=O)[*:1] CCN(C(=O)N[C@H](C)c1cccc(Cl)c1)[*:1]
CCN(C(=O)N[C@H](C)c1cccc(Cl)c1)[C@@H](C)CS(C)(=O)=O Clc1cccc(c1)[*:1] CCN(C(=O)N[C@H](C)[*:1])[C@@H](C)CS(C)(=O)=O
O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc1 O=[N+]([O-])[*:1] Clc1ccc(cc1Cl)N1CCN(CC1)c1ccc(cn1)[*:1]
C[C@](O)(CNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@](O)(CNC(=O)[C@@H]1Cc2ccccc2O1)[*:1]
CC(C)[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccccc1 C1CO[C@H](C1)[*:1] CC(C)[C@H](NC(=O)c1cnc(s1)[*:1])c1ccccc1
CC(C)[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccccc1 CC(C)[*:1] O=C(N[C@H](c1ccccc1)[*:1])c1cnc(s1)[C@H]1CCCO1
CC(C)[C@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)c1cnc(s1)[C@H]1CCCO1)[*:1]
C[C@@](C#N)(NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)C1CC1 C1CC1[*:1] C[C@@](C#N)(NC(=O)Cn1cnc2sc3CCCCc3c2c1=O)[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 Fc1ccc(F)c(c1)[*:1] CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CC(=NO1)[*:1]
CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 CN(C)[*:1] O=C(Nc1cc(Cl)ccc1[*:1])[C@H]1CC(=NO1)c1cc(F)ccc1F
C[C@H]1CN(C(C)(C)CNC(=O)c2[nH]nc(C3CC3)c2Cl)C[C@H](C)O1 C1CC1[*:1] C[C@H]1CN(C[C@H](C)O1)C(C)(C)CNC(=O)c1[nH]nc(c1Cl)[*:1]
C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2N1C(=O)[*:1]
C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1F Clc1ccc(cc1)[*:1] C[C@H]1C(=O)N(C[*:1])c2ccccc2N1C(=O)c1ccc(F)cc1F
C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1F Clc1ccc(cc1)C[*:1] C[C@H]1C(=O)N(c2ccccc2N1C(=O)c1ccc(F)cc1F)[*:1]
COc1cc(CNC(=O)CSc2nc(C)n[nH]2)ccn1 Cc1n[nH]c(n1)[*:1] COc1cc(ccn1)CNC(=O)CS[*:1]
C[C@H]1SCCC[C@H]1[NH2+]CCC(=O)NC1CC1 C1CC1[*:1] C[C@H]1SCCC[C@H]1[NH2+]CCC(=O)N[*:1]
Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)cc1 O=C(c1ccccc1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)O[C@H](C)[*:1]
Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)cc1 Cc1ccc(cc1)[*:1] C[C@@H](OC(=O)[C@H]1CC(=O)N(C1)[*:1])C(=O)c1ccccc1
Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)O[C@H](C)C(=O)[*:1]
COCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(Cl)cc1 COC[*:1] O=C(NC[*:1])[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(Cl)cc1
COCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1[*:1]
COCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(Cl)cc1 COCCNC(=O)[*:1] Clc1ccc(cc1)[C@H]1Nn2c(nnc2-c2ccccc2)S[C@@H]1[*:1]
COCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(Cl)cc1 c1ccc(cc1)[*:1] COCCNC(=O)[C@H]1Sc2nnc(n2N[C@@H]1c1ccc(Cl)cc1)[*:1]
COCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(Cl)cc1 COCC[*:1] O=C(N[*:1])[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(Cl)cc1
CCCc1ncc(Br)cc1C(N)=O NC(=O)[*:1] CCCc1ncc(Br)cc1[*:1]
CCCc1ncc(Br)cc1C(N)=O CCC[*:1] NC(=O)c1cc(Br)cnc1[*:1]
Cc1ccc(NC(=O)NCCn2c(C)n[nH]c2=S)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)NCCn1c(C)n[nH]c1=S
Cc1ccc(NC(=O)NCCn2c(C)n[nH]c2=S)cc1[N+](=O)[O-] Cc1n[nH]c(=S)n1[*:1] Cc1ccc(cc1[N+](=O)[O-])NC(=O)NCC[*:1]
Cc1ccc[n+]([C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(S)N[C@]2(O)C2CC2)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc[n+](c1)[C@H]1[C@H](C(C#N)=C(S)N[C@]1(O)C1CC1)[*:1]
Cc1ccc[n+]([C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(S)N[C@]2(O)C2CC2)c1 O=[N+]([O-])[*:1] Cc1ccc[n+](c1)[C@H]1[C@@H](C(C#N)=C(S)N[C@]1(O)C1CC1)c1ccc(cc1)[*:1]
Cc1ccc[n+]([C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(S)N[C@]2(O)C2CC2)c1 Cc1ccc[n+](c1)[*:1] N#CC1=C(S)N[C@](O)(C2CC2)[C@H]([C@@H]1c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccc[n+]([C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)C(C#N)=C(S)N[C@]2(O)C2CC2)c1 C1CC1[*:1] Cc1ccc[n+](c1)[C@H]1[C@@H](C(C#N)=C(S)N[C@@]1(O)[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(=O)N1CCCN(C(=O)NCCCCOc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CC(=O)N1CCCN(CC1)C(=O)NCCCCO[*:1]
CC(=O)N1CCCN(C(=O)NCCCCOc2ccc(F)cc2)CC1 Fc1ccc(cc1)O[*:1] CC(=O)N1CCCN(CC1)C(=O)NCCCC[*:1]
CC(C)c1ccc(S(=O)(=O)NCc2ccc[nH]2)cc1 CC(C)[*:1] O=S(=O)(NCc1ccc[nH]1)c1ccc(cc1)[*:1]
CC(C)c1ccc(S(=O)(=O)NCc2ccc[nH]2)cc1 c1c[nH]c(c1)C[*:1] CC(C)c1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)c1ccc(S(=O)(=O)NCc2ccc[nH]2)cc1 c1c[nH]c(c1)[*:1] CC(C)c1ccc(cc1)S(=O)(=O)NC[*:1]
CCOc1ccc(NC(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 CCO[*:1] O=C(NC[C@H]1C[NH+]2CCN1CC2)Nc1ccc(cc1)[*:1]
O=C([O-])C1(CC#Cc2ccccc2)CC1 O=C([O-])[*:1] C(#Cc1ccccc1)CC1(CC1)[*:1]
CCn1cnnc1-c1cccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 CC(C)(C)[*:1] CCn1cnnc1-c1cccc(c1)NC(=O)[C@@H]1CCCN1C(=O)O[*:1]
CCn1cnnc1-c1cccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 CCn1cnnc1[*:1] CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc(c1)[*:1]
COc1ccc([N+](=O)[O-])cc1C[NH+](CC1CC1)C1CCCCC1 C1CC1C[*:1] COc1ccc(cc1C[NH+](C1CCCCC1)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C[NH+](CC1CC1)C1CCCCC1 C1CCC(CC1)[*:1] COc1ccc(cc1C[NH+](CC1CC1)[*:1])[N+](=O)[O-]
COc1ccc([N+](=O)[O-])cc1C[NH+](CC1CC1)C1CCCCC1 O=[N+]([O-])[*:1] COc1ccc(cc1C[NH+](CC1CC1)C1CCCCC1)[*:1]
COc1ccc([N+](=O)[O-])cc1C[NH+](CC1CC1)C1CCCCC1 C1CC1[*:1] COc1ccc(cc1C[NH+](C[*:1])C1CCCCC1)[N+](=O)[O-]
C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C c1ccc(cc1)[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]([NH+](C)C)[*:1]
COc1ccnc(N2CC[NH+](Cc3cc4cc(-c5ccccc5OC)ccc4o3)CC2)n1 COc1ccnc(n1)[*:1] COc1ccccc1-c1ccc2oc(cc2c1)C[NH+]1CCN(CC1)[*:1]
COc1ccnc(N2CC[NH+](Cc3cc4cc(-c5ccccc5OC)ccc4o3)CC2)n1 COc1ccccc1[*:1] COc1ccnc(n1)N1CC[NH+](CC1)Cc1cc2cc(ccc2o1)[*:1]
CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 c1ccc(cc1)C[*:1] CN(Cc1nccn1[*:1])C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1
CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 Fc1cccc(c1)[*:1] CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[*:1]
CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 c1ccc(cc1)[*:1] CN(Cc1nccn1C[*:1])C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1
COc1cccc(-c2nnc(CCC(=O)N3CCC(Cc4ccccc4)CC3)c([O-])n2)c1 COc1cccc(c1)[*:1] O=C(CCc1nnc(nc1[O-])[*:1])N1CCC(CC1)Cc1ccccc1
COc1cccc(-c2nnc(CCC(=O)N3CCC(Cc4ccccc4)CC3)c([O-])n2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)-c1nnc(CCC(=O)N2CCC(CC2)[*:1])c([O-])n1
COc1cccc(-c2nnc(CCC(=O)N3CCC(Cc4ccccc4)CC3)c([O-])n2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)-c1nnc(CCC(=O)N2CCC(CC2)C[*:1])c([O-])n1
N/C(=N/OCc1ccc(Br)c(F)c1)C(F)(F)F FC(F)(F)[*:1] N/C(=N/OCc1ccc(Br)c(F)c1)[*:1]
COc1cccc(Cn2nc3c(N4CCOCC4)nccn3c2=O)c1 COc1cccc(c1)[*:1] O=c1n(C[*:1])nc2c(nccn12)N1CCOCC1
COc1cccc(Cn2nc3c(N4CCOCC4)nccn3c2=O)c1 C1CN(CCO1)[*:1] COc1cccc(c1)Cn1nc2c(nccn2c1=O)[*:1]
COc1ccc2c(CN(C)[C@@H](C)Cc3ccccc3OC)cc(=O)oc2c1 COc1ccccc1C[*:1] COc1ccc2c(cc(=O)oc2c1)CN(C)[C@@H](C)[*:1]
COc1ccc2c(CN(C)[C@@H](C)Cc3ccccc3OC)cc(=O)oc2c1 COc1ccccc1[*:1] COc1ccc2c(cc(=O)oc2c1)CN(C)[C@@H](C)C[*:1]
N#Cc1ccc(Cl)cc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O N#Cc1ccc(Cl)cc1[*:1] O=C(CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)N[*:1]
N#Cc1ccc(Cl)cc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O c1ccc(cc1)[*:1] N#Cc1ccc(Cl)cc1NC(=O)CN1C(=O)NC(C1=O)(c1ccccc1)[*:1]
Cn1c(SCC(=O)NC(N)=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 NC(=O)NC(=O)C[*:1] Cn1c(nnc1-c1cc2C[C@@H](CCc2s1)C(C)(C)C)S[*:1]
Cn1c(SCC(=O)NC(N)=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 NC(=O)NC(=O)[*:1] Cn1c(nnc1-c1cc2C[C@@H](CCc2s1)C(C)(C)C)SC[*:1]
Cn1c(SCC(=O)NC(N)=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 NC(=O)NC(=O)CS[*:1] Cn1c(nnc1[*:1])-c1cc2C[C@@H](CCc2s1)C(C)(C)C
Cn1c(SCC(=O)NC(N)=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 CC(C)(C)[*:1] Cn1c(nnc1-c1cc2C[C@H](CCc2s1)[*:1])SCC(=O)NC(N)=O
COc1cc(C(=O)N(C)[C@@H](C)c2ccccc2F)cc(OC)c1OC Fc1ccccc1[*:1] COc1cc(cc(OC)c1OC)C(=O)N(C)[C@@H](C)[*:1]
Cc1ccc(F)c(NC(=O)c2cc3nc(-c4ccnn4C)cc(-c4ccnn4C)n3n2)c1 Cn1nccc1[*:1] Cc1ccc(F)c(c1)NC(=O)c1cc2nc(cc(n2n1)[*:1])-c1ccnn1C
Cc1ccc(F)c(NC(=O)c2cc3nc(-c4ccnn4C)cc(-c4ccnn4C)n3n2)c1 Cc1ccc(F)c(c1)[*:1] Cn1nccc1-c1cc(-c2ccnn2C)n2nc(cc2n1)C(=O)N[*:1]
Cc1ccc(F)c(NC(=O)c2cc3nc(-c4ccnn4C)cc(-c4ccnn4C)n3n2)c1 Cn1nccc1[*:1] Cc1ccc(F)c(c1)NC(=O)c1cc2nc(cc(-c3ccnn3C)n2n1)[*:1]
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1[*:1]
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1C(=O)[*:1]
Cc1cc2n([nH+]1)C[C@@H](C[NH2+]C[C@@H]1CCCN(Cc3ccccc3)C1)CN2 c1ccc(cc1)[*:1] Cc1cc2NC[C@H](C[NH2+]C[C@@H]3CCCN(C3)C[*:1])Cn2[nH+]1
Cc1cc2n([nH+]1)C[C@@H](C[NH2+]C[C@@H]1CCCN(Cc3ccccc3)C1)CN2 c1ccc(cc1)C[*:1] Cc1cc2NC[C@H](C[NH2+]C[C@@H]3CCCN(C3)[*:1])Cn2[nH+]1
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1nccs1 Cc1n[nH]c(C)c1[*:1] O=C(Nc1nccs1)N1CCCCC[C@H]1[*:1]
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1nccs1 c1csc(n1)[*:1] Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[*:1]
Cc1nc(C2(NC(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)CCCCCC2)no1 Cc1nc(no1)[*:1] Cc1cc2C[C@H](Oc2cc1C)C(=O)NC1(CCCCCC1)[*:1]
O=C(NCC[C@H](O)C1CC1)[C@H]1CC(=O)N(c2ccccc2)C1 O[C@@H](C[*:1])C1CC1 O=C(NC[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCC[C@H](O)C1CC1)[C@H]1CC(=O)N(c2ccccc2)C1 O[C@@H](CC[*:1])C1CC1 O=C(N[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCC[C@H](O)C1CC1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(NCC[C@H](O)C1CC1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCC[C@H](O)C1CC1)[C@H]1CC(=O)N(c2ccccc2)C1 O[C@H](C1CC1)[*:1] O=C(NCC[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(NCC[C@H](O)C1CC1)[C@H]1CC(=O)N(c2ccccc2)C1 C1CC1[*:1] O=C(NCC[C@H](O)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C1C[C@H](C(=O)OCCCOc2ccccc2Cl)c2ccccc2N1 Clc1ccccc1[*:1] O=C1C[C@H](C(=O)OCCCO[*:1])c2ccccc2N1
O=C1C[C@H](C(=O)OCCCOc2ccccc2Cl)c2ccccc2N1 Clc1ccccc1O[*:1] O=C1C[C@H](C(=O)OCCC[*:1])c2ccccc2N1
CCc1ccc(NC(=O)CNc2cc(OC)ccc2NC(C)=O)cc1 CC(=O)N[*:1] CCc1ccc(cc1)NC(=O)CNc1cc(ccc1[*:1])OC
CCc1ccc(NC(=O)CNc2cc(OC)ccc2NC(C)=O)cc1 CCc1ccc(cc1)[*:1] COc1ccc(NC(C)=O)c(c1)NCC(=O)N[*:1]
O=C(N[C@H]1CCOC1)N1C[C@H](O)[C@H](O)C1 C1C[C@@H](CO1)[*:1] O=C(N[*:1])N1C[C@H](O)[C@H](O)C1
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCC(C)C Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)C(=O)NCC(C)C)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCC(C)C CC(C)C[*:1] Cc1cn(nc1NC(=O)C(=O)N[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCC(C)C CC(C)[*:1] Cc1cn(nc1NC(=O)C(=O)NC[*:1])-c1ccccc1Cl
C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccnc(c1)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccnc(OC(C)(C)C)c1 O=C(N[*:1])c1ccoc1 C[C@H](C(=O)NCc1ccnc(c1)OC(C)(C)C)[*:1]
C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccnc(OC(C)(C)C)c1 c1cc(co1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCc1ccnc(c1)OC(C)(C)C
C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccnc(c1)O[*:1]
CC[C@@H](C)C(=O)N1C[C@@H](C)NC(=O)c2ccc(F)cc21 CC[C@@H](C)[*:1] C[C@@H]1CN(C(=O)[*:1])c2cc(F)ccc2C(=O)N1
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCc1ccncc1 c1cc(ccn1)C[*:1] Cc1ccc(cc1NC(=O)N[*:1])S(=O)(=O)N1CCCCC1
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCc1ccncc1 c1cc(ccn1)[*:1] Cc1ccc(cc1NC(=O)NC[*:1])S(=O)(=O)N1CCCCC1
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCc1ccncc1 O=S(=O)(N1CCCCC1)[*:1] Cc1ccc(cc1NC(=O)NCc1ccncc1)[*:1]
COc1ccc(-c2nnc3c4cnn(-c5ccc(C)c(C)c5)c4ncn23)cc1OC Cc1ccc(cc1C)[*:1] COc1ccc(cc1OC)-c1nnc2c3cnn(c3ncn12)[*:1]
COc1ccc(-c2nnc3c4cnn(-c5ccc(C)c(C)c5)c4ncn23)cc1OC COc1ccc(cc1OC)[*:1] Cc1ccc(cc1C)-n1ncc2c1ncn1c(nnc21)[*:1]
CCCCc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C)nc32)cc1 CCCC[*:1] Cc1nc2[C@H](CCCn2n1)[NH2+][C@H](C)c1ccc(cc1)[*:1]
CCCCc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C)nc32)cc1 CCC[*:1] Cc1nc2[C@H](CCCn2n1)[NH2+][C@H](C)c1ccc(cc1)C[*:1]
CC[C@@H](C(=O)OC)N(C(=O)[C@@H]1C[C@@H]1c1cccnc1)c1ccccc1 c1cncc(c1)[*:1] CC[C@@H](C(=O)OC)N(C(=O)[C@@H]1C[C@H]1[*:1])c1ccccc1
CC[C@@H](C(=O)OC)N(C(=O)[C@@H]1C[C@@H]1c1cccnc1)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](C(=O)OC)N(C(=O)[C@@H]1C[C@@H]1c1cccnc1)[*:1]
CC[C@@H](C(=O)OC)N(C(=O)[C@@H]1C[C@@H]1c1cccnc1)c1ccccc1 COC(=O)[*:1] CC[C@@H](N(C(=O)[C@@H]1C[C@@H]1c1cccnc1)c1ccccc1)[*:1]
CC[C@@H](C(=O)OC)N(C(=O)[C@@H]1C[C@@H]1c1cccnc1)c1ccccc1 CC[C@@H](C(=O)OC)[*:1] O=C([C@@H]1C[C@@H]1c1cccnc1)N(c1ccccc1)[*:1]
COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C1C[C@@H](ON=1)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)C(F)(F)F)[C@H]1CC(=NO1)[*:1]
Cc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])[*:1] Cc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@@H](C1)C[*:1]
Cc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1 O=C([O-])C[*:1] Cc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H](C1)[*:1]
N#CC[n+]1ccc2ccccc2c1 N#CC[*:1] c1ccc2c[n+](ccc2c1)[*:1]
Cc1ccc(C)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)C(=O)NC[C@H]([NH+](C)C)[*:1]
COc1ccc(-c2cc(COC(=O)c3ccccc3Br)no2)cc1OC Brc1ccccc1[*:1] COc1ccc(cc1OC)-c1cc(COC(=O)[*:1])no1
CC(C)C[C@H](C(=O)NCCc1cccs1)N1C(=O)c2ccccc2C1=O c1csc(c1)CC[*:1] CC(C)C[C@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CC(C)C[C@H](C(=O)NCCc1cccs1)N1C(=O)c2ccccc2C1=O CC(C)C[*:1] O=C(NCCc1cccs1)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC(C)C[C@H](C(=O)NCCc1cccs1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(NCCc1cccs1)[C@@H](C[*:1])N1C(=O)c2ccccc2C1=O
CC(C)C[C@H](C(=O)NCCc1cccs1)N1C(=O)c2ccccc2C1=O c1csc(c1)C[*:1] CC(C)C[C@H](C(=O)NC[*:1])N1C(=O)c2ccccc2C1=O
CC(C)C[C@H](C(=O)NCCc1cccs1)N1C(=O)c2ccccc2C1=O c1csc(c1)[*:1] CC(C)C[C@H](C(=O)NCC[*:1])N1C(=O)c2ccccc2C1=O
COc1ccc(OCC[C@@H](C[NH3+])c2ccccc2F)cc1 Fc1ccccc1[*:1] COc1ccc(cc1)OCC[C@@H](C[NH3+])[*:1]
O=C1Nc2ccc(F)cc2/C1=c1/sc2n(c1=O)CN(c1cccc(C(=O)[O-])c1)CN=2 O=C([O-])c1cccc(c1)[*:1] O=C1Nc2ccc(F)cc2/C1=c1/sc2=NCN(Cn2c1=O)[*:1]
O=C1Nc2ccc(F)cc2/C1=c1/sc2n(c1=O)CN(c1cccc(C(=O)[O-])c1)CN=2 O=C([O-])[*:1] O=C1Nc2ccc(F)cc2/C1=c1/sc2=NCN(Cn2c1=O)c1cccc(c1)[*:1]
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCC(C)(C)c1cccs1 CC(C)(c1cccs1)[*:1] CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[*:1]
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCC(C)(C)c1cccs1 c1csc(c1)[*:1] CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCC(C)(C)[*:1]
C[C@@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccccc1 Clc1ccc(cc1)C[*:1] C[C@@H](CNC(=O)NNC(=O)[*:1])N(C)c1ccccc1
C[C@@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccccc1 CN(c1ccccc1)[*:1] C[C@@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)[*:1]
C[C@@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)N(C)[*:1]
C[C@@H](CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccccc1 Clc1ccc(cc1)[*:1] C[C@@H](CNC(=O)NNC(=O)C[*:1])N(C)c1ccccc1
COc1ccc(CCNC(=O)c2ccccn2)c(OC)c1OC c1ccc(nc1)[*:1] COc1ccc(CCNC(=O)[*:1])c(OC)c1OC
CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2[S@@](=O)CC)sc1C CC[S@](=O)[*:1] CCc1cc(sc1C)C(=O)N[C@@H]1CCCC[C@@H]1[*:1]
Cc1cc(C)cc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 CS(=O)(=O)N[*:1] Cc1cc(C)cc(c1)NC(=O)c1ccc(c(C)c1)[*:1]
Cc1ccc(C(=O)N2CCc3nc(C4CC[NH+](C(C)C)CC4)[nH]c(=O)c3C2)cc1 CC(C)[*:1] Cc1ccc(cc1)C(=O)N1CCc2nc([nH]c(=O)c2C1)C1CC[NH+](CC1)[*:1]
Cc1ccc(C(=O)N2CCc3nc(C4CC[NH+](C(C)C)CC4)[nH]c(=O)c3C2)cc1 Cc1ccc(cc1)[*:1] CC(C)[NH+]1CCC(CC1)c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
Cc1noc(-c2cccnc2NC[C@H](C)N2CCOC[C@@H]2C)n1 Cc1noc(n1)[*:1] C[C@@H](CNc1ncccc1[*:1])N1CCOC[C@@H]1C
Cc1noc(-c2cccnc2NC[C@H](C)N2CCOC[C@@H]2C)n1 C[C@H]1COCCN1[*:1] Cc1noc(n1)-c1cccnc1NC[C@H](C)[*:1]
CC(C)[C@H](O)[C@H]1CCOC2(CCCCC2)C1 CC(C)[*:1] O[C@H]([C@H]1CCOC2(CCCCC2)C1)[*:1]
CC(C)[C@H](O)[C@H]1CCOC2(CCCCC2)C1 CC(C)[C@H](O)[*:1] C1CCC2(CC1)C[C@H](CCO2)[*:1]
CC(=O)N1CCN(C(=O)C(=O)NCC2CCN(C(=O)c3ccccn3)CC2)CC1 c1ccc(nc1)[*:1] CC(=O)N1CCN(CC1)C(=O)C(=O)NCC1CCN(CC1)C(=O)[*:1]
CN(CCn1ccc2ccccc21)S(=O)(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CN(CCn1ccc2ccccc21)S(=O)(=O)NC[*:1]
CN(CCn1ccc2ccccc21)S(=O)(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] CN(CCn1ccc2ccccc21)S(=O)(=O)N[*:1]
CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1cc([N+](=O)[O-])ccc1=O O=[N+]([O-])[*:1] CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1cc(ccc1=O)[*:1]
CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1cc([N+](=O)[O-])ccc1=O FC(F)(F)[*:1] CN(CC(=O)Nc1ccccc1[*:1])C(=O)Cn1cc(ccc1=O)[N+](=O)[O-]
O=C(C#Cc1ccccc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 C(#C[*:1])c1ccccc1 O=C(N1CCO[C@H](C1)c1cccc(c1)OC(F)F)[*:1]
O=C(C#Cc1ccccc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)O[*:1] O=C(C#Cc1ccccc1)N1CCO[C@H](C1)c1cccc(c1)[*:1]
O=C(C#Cc1ccccc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 c1ccc(cc1)[*:1] O=C(C#C[*:1])N1CCO[C@H](C1)c1cccc(c1)OC(F)F
O=C(C#Cc1ccccc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 FC(F)[*:1] O=C(C#Cc1ccccc1)N1CCO[C@H](C1)c1cccc(c1)O[*:1]
COc1ccc(-c2cc(CNC(=O)c3cccn(C)c3=O)no2)cc1 COc1ccc(cc1)[*:1] Cn1cccc(C(=O)NCc2cc(on2)[*:1])c1=O
COc1ccc(-c2cc(CNC(=O)c3cccn(C)c3=O)no2)cc1 Cn1cccc(c1=O)[*:1] COc1ccc(cc1)-c1cc(CNC(=O)[*:1])no1
CC(C)Oc1ccc([C@H](O)[C@H](F)C(=O)[O-])cc1 CC(C)O[*:1] O=C([O-])[C@@H](F)[C@@H](O)c1ccc(cc1)[*:1]
CC(C)Oc1ccc([C@H](O)[C@H](F)C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)Oc1ccc(cc1)[C@H](O)[C@H](F)[*:1]
CC(C)Oc1ccc([C@H](O)[C@H](F)C(=O)[O-])cc1 CC(C)[*:1] O=C([O-])[C@@H](F)[C@@H](O)c1ccc(cc1)O[*:1]
CC(C)[NH2+][C@@H](C)[C@H](C)Cc1ccccn1 CC(C)[*:1] C[C@H]([NH2+][*:1])[C@H](C)Cc1ccccn1
COC(=O)c1ccc2c(=O)[nH]c(CC(=O)Nc3ccc(C)cc3)nc2c1 Cc1ccc(cc1)[*:1] COC(=O)c1ccc2c(=O)[nH]c(CC(=O)N[*:1])nc2c1
COC(=O)c1ccc2c(=O)[nH]c(CC(=O)Nc3ccc(C)cc3)nc2c1 COC(=O)[*:1] Cc1ccc(cc1)NC(=O)Cc1nc2cc(ccc2c(=O)[nH]1)[*:1]
CC(C)NC(=O)c1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 CC(C)NC(=O)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)c1ccc(cc1)[*:1]
CC(C)NC(=O)c1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 CC(C)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)c1ccc(cc1)C(=O)N[*:1]
CC(C)NC(=O)c1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] CC(C)NC(=O)c1ccc(cc1)C(=O)NC[C@@H]1CCCN(C1)[*:1]
Cc1csc(C(C)(C)NCc2ccc(Cl)cc2Br)n1 Cc1csc(n1)[*:1] CC(C)(NCc1ccc(Cl)cc1Br)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC(=O)[O-])[C@H]2c2ccccc2)cc1 O=C([O-])[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC(=O)[O-])[C@H]2c2ccccc2)cc1 O=C([O-])C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccccc1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC(=O)[O-])[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(CC(=O)[O-])[C@@H]1[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(CC(=O)[O-])[C@H]2c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C([O-])CN1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccccc1
Cc1ccccc1CC[C@H]1CCCN(c2nccs2)C1 c1csc(n1)[*:1] Cc1ccccc1CC[C@H]1CCCN(C1)[*:1]
N#Cc1cccc(CNC(=O)Nc2ccc3c(c2)OCCCO3)c1 N#Cc1cccc(c1)[*:1] O=C(NC[*:1])Nc1ccc2OCCCOc2c1
CNC(=O)c1cccc(N2CC[S@@](=O)C(C)(C)C2)n1 CNC(=O)[*:1] CC1(C)CN(CC[S@]1=O)c1cccc(n1)[*:1]
CC[C@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccoc2C)C1 Cc1occc1[*:1] CC[C@H]1CCC[C@H](C1)NC(=O)CNC(=O)[*:1]
CN(C(=O)CC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] CN(C(=O)C[*:1])c1ccccc1
CN(C(=O)CC(C)(C)C)c1ccccc1 CC(C)(C)C[*:1] CN(C(=O)[*:1])c1ccccc1
CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(C)s3)ccc21 Cc1ccc(s1)[*:1] CCN1C(=O)Cc2cc(ccc21)NS(=O)(=O)[*:1]
Cc1ccc(C)c(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)c1 c1ccc(cc1)OC[*:1] Cc1ccc(C)c(c1)Nc1ncnc(NNC(=O)[*:1])c1N
Cc1ccc(C)c(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)c1 Cc1ccc(C)c(c1)N[*:1] Nc1c(ncnc1[*:1])NNC(=O)COc1ccccc1
Cc1ccc(C)c(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)Nc1ncnc(NNC(=O)CO[*:1])c1N
Cc1ccc(C)c(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)c1 Cc1ccc(C)c(c1)[*:1] Nc1c(ncnc1N[*:1])NNC(=O)COc1ccccc1
Cc1ccc(C)c(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)c1 c1ccc(cc1)O[*:1] Cc1ccc(C)c(c1)Nc1ncnc(NNC(=O)C[*:1])c1N
CC[C@@H](C)NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1 CC[C@@H](C)NC(=O)[*:1] c1ncc(c(n1)N1CCOCC1)N1CCC(CC1)[*:1]
CC[C@@H](C)NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1 CC[C@@H](C)[*:1] O=C(N[*:1])C1CCN(CC1)c1cncnc1N1CCOCC1
CC[C@@H](C)NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1 C1CN(CCO1)[*:1] CC[C@@H](C)NC(=O)C1CCN(CC1)c1cncnc1[*:1]
Cc1cc(NC(=O)CN(C)C(=O)c2ccc(C3CCCCC3)cc2)no1 C1CCC(CC1)[*:1] Cc1cc(no1)NC(=O)CN(C)C(=O)c1ccc(cc1)[*:1]
Cc1cc(NC(=O)CN(C)C(=O)c2ccc(C3CCCCC3)cc2)no1 Cc1cc(no1)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(cc1)C1CCCCC1
COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(C(C)C)cc1)c1nccn1C CC(C)c1ccc(cc1)[*:1] COc1ccccc1[C@H](NC(=O)N[C@H](C)[*:1])c1nccn1C
COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(C(C)C)cc1)c1nccn1C COc1ccccc1[*:1] CC(C)c1ccc(cc1)[C@@H](C)NC(=O)N[C@H](c1nccn1C)[*:1]
COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(C(C)C)cc1)c1nccn1C CC(C)[*:1] COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(cc1)[*:1])c1nccn1C
COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(C(C)C)cc1)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(cc1)C(C)C)[*:1]
OC1(c2cccnc2)CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1 c1cncc(c1)[*:1] OC1(CCN(CC1)Cc1nnnn1Cc1ccc(F)cc1)[*:1]
OC1(c2cccnc2)CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] OC1(CCN(CC1)Cc1nnnn1[*:1])c1cccnc1
OC1(c2cccnc2)CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] OC1(CCN(CC1)Cc1nnnn1C[*:1])c1cccnc1
O=C(NNc1ccccc1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)[*:1] O=C(NNc1ccccc1)N[C@@H]1CCCC[C@H]1O[*:1]
O=C(NNc1ccccc1)N[C@@H]1CCCC[C@H]1OC1CCCC1 c1ccc(cc1)[*:1] O=C(NN[*:1])N[C@@H]1CCCC[C@H]1OC1CCCC1
O=C(NNc1ccccc1)N[C@@H]1CCCC[C@H]1OC1CCCC1 C1CCC(C1)O[*:1] O=C(NNc1ccccc1)N[C@@H]1CCCC[C@@H]1[*:1]
COc1ccc(/C=C/C(=O)C(C)(C)Br)cc1 CC(C)(Br)[*:1] COc1ccc(/C=C/C(=O)[*:1])cc1
CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCOc1ccc(cc1)-c1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1[*:1]
CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(Cl)cc2)cc1 CCOc1ccc(cc1)[*:1] Cn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(cn23)[*:1])n(C)c1=O
CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(Cl)cc2)cc1 CCO[*:1] Cn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(cn23)-c2ccc(cc2)[*:1])n(C)c1=O
COC(=O)c1c(C)sc(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1[O-] COC(=O)[*:1] COc1ccc(cc1OC)-c1[nH]c2c(c1-c1sc(C)c(c1[O-])[*:1])c(=O)n(C)c(=O)n2C
COC(=O)c1c(C)sc(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1[O-] COc1ccc(cc1OC)[*:1] COC(=O)c1c(C)sc(c1[O-])-c1c([nH]c2c1c(=O)n(C)c(=O)n2C)[*:1]
CC[C@H](C)[C@H](C)[NH2+]CCn1c(=O)[nH]c2ccccc21 CC[C@H](C)[*:1] C[C@H]([NH2+]CCn1c(=O)[nH]c2ccccc21)[*:1]
Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(Cc2ccc[nH+]c2N)C1 Nc1[nH+]cccc1[*:1] Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C1)C[*:1]
Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(Cc2ccc[nH+]c2N)C1 Nc1[nH+]cccc1C[*:1] Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C1)[*:1]
COc1ccc(-n2ccnc(SCc3cccc(F)c3)c2=O)cc1 Fc1cccc(c1)C[*:1] COc1ccc(cc1)-n1ccnc(S[*:1])c1=O
COc1ccc(-n2ccnc(SCc3cccc(F)c3)c2=O)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)-n1ccnc(SC[*:1])c1=O
COc1ccc(-n2ccnc(SCc3cccc(F)c3)c2=O)cc1 COc1ccc(cc1)[*:1] O=c1c(nccn1[*:1])SCc1cccc(F)c1
CCc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)sc1C CCc1cc(sc1C)[*:1] O=C(N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)[*:1]
CCc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)sc1C Fc1ccc(F)c(c1)[*:1] CCc1cc(sc1C)C(=O)N1C[C@H](O)C[C@H]1[*:1]
CCSc1nnc(NC(=O)CCc2c[nH]c3ccccc23)s1 CCS[*:1] O=C(CCc1c[nH]c2ccccc12)Nc1nnc(s1)[*:1]
Cc1nc(CN2CC(c3nc(-c4ncccn4)no3)C2)cs1 c1cnc(nc1)[*:1] Cc1nc(cs1)CN1CC(C1)c1nc(no1)[*:1]
Cc1nc(CN2CC(c3nc(-c4ncccn4)no3)C2)cs1 Cc1nc(cs1)C[*:1] c1cnc(nc1)-c1noc(n1)C1CN(C1)[*:1]
Cc1nc(CN2CC(c3nc(-c4ncccn4)no3)C2)cs1 Cc1nc(cs1)[*:1] c1cnc(nc1)-c1noc(n1)C1CN(C1)C[*:1]
CN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S c1ccc(cc1)[*:1] CN1C(=O)[C@H](CC(=O)N[*:1])N(CCCc2ccccc2)C1=S
CN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S O=C(Nc1ccccc1)[*:1] CN1C(=O)[C@H](C[*:1])N(CCCc2ccccc2)C1=S
CN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S c1ccc(cc1)C[*:1] CN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(CC[*:1])C1=S
CN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S c1ccc(cc1)CC[*:1] CN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(C[*:1])C1=S
CN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S c1ccc(cc1)CCC[*:1] CN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(C1=S)[*:1]
CN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S c1ccc(cc1)[*:1] CN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(CCC[*:1])C1=S
CC1=NC(C)=C(C(=O)N2CCCC2)[C@@H]1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 O=C(N1CCCC1)[*:1] CC1=NC(C)=C([C@@H]1S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1)[*:1]
CC1=NC(C)=C(C(=O)N2CCCC2)[C@@H]1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CC1=NC(C)=C(C(=O)N2CCCC2)[C@@H]1S(=O)(=O)N1CCN(CC1)[*:1]
CN(Cc1ccsc1)c1ccc(N)c(N)[nH+]1 c1cc(cs1)[*:1] CN(C[*:1])c1ccc(N)c(N)[nH+]1
CC(C)c1cccc2c1OCC[C@H]2[NH2+]CC(C)(C)C[C@@H](C)O CC(C)[*:1] C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CCOc2c1cccc2[*:1]
CC(C)c1cccc2c1OCC[C@H]2[NH2+]CC(C)(C)C[C@@H](C)O C[C@@H](O)CC(C)(C)[*:1] CC(C)c1cccc2c1OCC[C@H]2[NH2+]C[*:1]
CC(C)c1cccc2c1OCC[C@H]2[NH2+]CC(C)(C)C[C@@H](C)O C[C@@H](O)C[*:1] CC(C)c1cccc2c1OCC[C@H]2[NH2+]CC(C)(C)[*:1]
CC(C)c1cccc2c1OCC[C@H]2[NH2+]CC(C)(C)C[C@@H](C)O C[C@@H](O)[*:1] CC(C)c1cccc2c1OCC[C@H]2[NH2+]CC(C)(C)C[*:1]
Cc1cc(C)c(O)c(C(=O)N(C[C@H](O)c2ccccc2)C2CC2)c1 c1ccc(cc1)[*:1] Cc1cc(C)c(O)c(c1)C(=O)N(C[C@H](O)[*:1])C1CC1
Cc1cc(C)c(O)c(C(=O)N(C[C@H](O)c2ccccc2)C2CC2)c1 C1CC1[*:1] Cc1cc(C)c(O)c(c1)C(=O)N(C[C@H](O)c1ccccc1)[*:1]
Cc1cc(C)c(O)c(C(=O)N(C[C@H](O)c2ccccc2)C2CC2)c1 O[C@H](c1ccccc1)[*:1] Cc1cc(C)c(O)c(c1)C(=O)N(C[*:1])C1CC1
CCOC(=O)c1cc2occc2n1CC(=O)NC1CCC(C)CC1 CC1CCC(CC1)[*:1] CCOC(=O)c1cc2occc2n1CC(=O)N[*:1]
CCOC(=O)c1cc2occc2n1CC(=O)NC1CCC(C)CC1 CCOC(=O)[*:1] CC1CCC(CC1)NC(=O)Cn1c(cc2occc21)[*:1]
O=C(CSc1ccc(-c2cccnc2)nn1)Nc1nc2ccccc2s1 c1cncc(c1)[*:1] O=C(CSc1ccc(nn1)[*:1])Nc1nc2ccccc2s1
CO[C@@H]1CCCN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)C1 Cc1csc(n1)[*:1] CO[C@@H]1CCCN(C1)C(=O)N[C@@H](C1CC1)[*:1]
CO[C@@H]1CCCN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)C1 C1CC1[*:1] CO[C@@H]1CCCN(C1)C(=O)N[C@@H](c1nc(C)cs1)[*:1]
CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cs2)cc1 C1CC1[*:1] CC(C)c1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cs2)cc1 CC(C)[*:1] O=C(NC1CC1)c1ccc(cc1)NC(=O)c1csc(n1)-c1ccc(cc1)[*:1]
CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cs2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(NC1CC1)c1ccc(cc1)NC(=O)c1csc(n1)[*:1]
CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cs2)cc1 O=C(NC1CC1)[*:1] CC(C)c1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](CO)C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 C[C@@H](CO)C[*:1] C1C[C@]2(CO1)C[C@@H](CCO2)[NH2+][*:1]
C[C@@H](CO)C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 C[C@@H](CO)[*:1] C1C[C@]2(CO1)C[C@@H](CCO2)[NH2+]C[*:1]
O=C(C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1)N1CCCCCC1 O=[N+]([O-])[*:1] O=C(C1CC[NH+](CC1)CCn1cc(ccc1=O)[*:1])N1CCCCCC1
O=C(C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=c1ccc(cn1CC[NH+]1CCC(CC1)[*:1])[N+](=O)[O-]
Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(-c4nc(C)n[nH]4)cc3)c2c1 Cc1n[nH]c(n1)[*:1] Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(cc3)[*:1])c2c1
COc1cc(CN2CC[NH+](Cc3ccco3)CC2)cc(OC)c1O c1coc(c1)C[*:1] COc1cc(cc(OC)c1O)CN1CC[NH+](CC1)[*:1]
COc1cc(CN2CC[NH+](Cc3ccco3)CC2)cc(OC)c1O c1coc(c1)[*:1] COc1cc(cc(OC)c1O)CN1CC[NH+](CC1)C[*:1]
CCc1nc(CNc2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)no1 CCc1nc(C[*:1])no1 CC(C)(C)OC(=O)N1CCCc2ccc(cc21)N[*:1]
CCc1nc(CNc2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)no1 CC(C)(C)[*:1] CCc1nc(CNc2ccc3CCCN(C(=O)O[*:1])c3c2)no1
CCc1nc(CNc2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)no1 CCc1nc(no1)[*:1] CC(C)(C)OC(=O)N1CCCc2ccc(cc21)NC[*:1]
C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCCCC[C@@H]1CO CC(C)(C)S[*:1] C[C@H](C[*:1])[NH2+][C@H]1CCCCC[C@@H]1CO
C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCCCC[C@@H]1CO CC(C)(C)[*:1] C[C@H](CS[*:1])[NH2+][C@H]1CCCCC[C@@H]1CO
C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCCCC[C@@H]1CO CC(C)(C)SC[*:1] C[C@H]([NH2+][C@H]1CCCCC[C@@H]1CO)[*:1]
CCOc1ccc(/C=N/NC(=O)c2nonc2C)cc1OC Cc1nonc1[*:1] CCOc1ccc(/C=N/NC(=O)[*:1])cc1OC
CCOc1ccc(/C=N/NC(=O)c2nonc2C)cc1OC CCO[*:1] COc1cc(/C=N/NC(=O)c2nonc2C)ccc1[*:1]
O=C1S/C(=C/c2cccn2-c2ccccc2F)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1S/C(=C/c2cccn2-c2ccccc2F)C(=O)N1[*:1]
O=C1S/C(=C/c2cccn2-c2ccccc2F)C(=O)N1c1ccccc1 Fc1ccccc1[*:1] O=C1S/C(=C/c2cccn2[*:1])C(=O)N1c1ccccc1
COc1cc(CNC[C@@H](C)c2cccs2)cc(Br)c1O c1csc(c1)[*:1] COc1cc(cc(Br)c1O)CNC[C@@H](C)[*:1]
CC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2C)c1C CC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)[C@@H]1C[C@H]1C
CC[C@H](NC(=O)c1cccc(NC(=O)OC)c1)c1cccc([N+](=O)[O-])c1 COC(=O)N[*:1] CC[C@H](NC(=O)c1cccc(c1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)c1cccc(NC(=O)OC)c1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)c1cccc(c1)NC(=O)OC)c1cccc(c1)[*:1]
C[C@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 Clc1cccc(c1)[*:1] C[C@H]1CCC[C@H](C1)[NH+]1CCN(CC1)C(=O)[*:1]
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)C(=O)NC(C)(C)C Clc1cccc(c1)O[*:1] CC(C)[C@H](C(=O)N[C@@H](C)C(=O)NC(C)(C)C)[*:1]
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)[*:1]
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)C(=O)NC(C)(C)C CC(C)(C)[*:1] CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)C(=O)N[*:1]
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)C(=O)NC(C)(C)C CC(C)[*:1] C[C@H](NC(=O)[C@@H](Oc1cccc(Cl)c1)[*:1])C(=O)NC(C)(C)C
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)C(=O)NC(C)(C)C Clc1cccc(c1)[*:1] CC(C)[C@H](O[*:1])C(=O)N[C@@H](C)C(=O)NC(C)(C)C
COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)NC2CCCCC2)c1C O=[N+]([O-])c1cc(ccc1Cl)[*:1] COC(=O)c1c(NC(=O)[*:1])sc(C(=O)NC2CCCCC2)c1C
COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)NC2CCCCC2)c1C O=C(NC1CCCCC1)[*:1] COC(=O)c1c(NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])sc(c1C)[*:1]
COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)NC2CCCCC2)c1C O=[N+]([O-])[*:1] COC(=O)c1c(NC(=O)c2ccc(Cl)c(c2)[*:1])sc(C(=O)NC2CCCCC2)c1C
COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)NC2CCCCC2)c1C COC(=O)[*:1] Cc1c(sc(NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])c1[*:1])C(=O)NC1CCCCC1
COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)NC2CCCCC2)c1C C1CCC(CC1)[*:1] COC(=O)c1c(NC(=O)c2ccc(Cl)c(c2)[N+](=O)[O-])sc(C(=O)N[*:1])c1C
O=C(/C=C/c1ccc(Br)s1)Nc1ccc2c(c1)COC2 Brc1ccc(s1)[*:1] O=C(C=C[*:1])Nc1ccc2COCc2c1
COc1ccc(NC(=O)CSc2nccc(N3CCCC3)n2)cc1OC C1CCN(C1)[*:1] COc1ccc(cc1OC)NC(=O)CSc1nccc(n1)[*:1]
COC(=O)c1[nH]c(C)c(CN(C)C(=O)c2ccc(F)cc2Cl)c1C COC(=O)[*:1] Cc1[nH]c(c(C)c1CN(C)C(=O)c1ccc(F)cc1Cl)[*:1]
COC(=O)c1[nH]c(C)c(CN(C)C(=O)c2ccc(F)cc2Cl)c1C Fc1ccc(c(Cl)c1)[*:1] COC(=O)c1[nH]c(C)c(CN(C)C(=O)[*:1])c1C
COc1ccccc1CC(=O)Nc1c2c(nc3ccccc13)CCCC2 COc1ccccc1[*:1] O=C(C[*:1])Nc1c2CCCCc2nc2ccccc12
COc1ccc(C[C@@H](C)CNC(=O)c2cnn(C)c2-n2cccc2)cc1 COc1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)C[*:1]
COc1ccc(C[C@@H](C)CNC(=O)c2cnn(C)c2-n2cccc2)cc1 c1ccn(c1)[*:1] COc1ccc(cc1)C[C@@H](C)CNC(=O)c1cnn(C)c1[*:1]
O=C([C@@H](O)c1ccccc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H](O)[*:1])N1CCC(CC1)[C@H](O)c1ccc(Cl)cc1
O=C([C@@H](O)c1ccccc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C([C@@H](O)c1ccccc1)N1CCC(CC1)[C@H](O)[*:1]
O=C([C@@H](O)c1ccccc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 O[C@@H](c1ccccc1)[*:1] O=C(N1CCC(CC1)[C@H](O)c1ccc(Cl)cc1)[*:1]
COc1ccc(CNC(=O)C2CCN(c3ccc(=O)n(-c4cccc(F)c4)n3)CC2)c(OC)c1 COc1ccc(C[*:1])c(c1)OC O=C(N[*:1])C1CCN(CC1)c1ccc(=O)n(n1)-c1cccc(F)c1
COc1ccc(CNC(=O)C2CCN(c3ccc(=O)n(-c4cccc(F)c4)n3)CC2)c(OC)c1 Fc1cccc(c1)[*:1] COc1ccc(CNC(=O)C2CCN(CC2)c2ccc(=O)n(n2)[*:1])c(c1)OC
COc1ccc(CNC(=O)C2CCN(c3ccc(=O)n(-c4cccc(F)c4)n3)CC2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] O=C(NC[*:1])C1CCN(CC1)c1ccc(=O)n(n1)-c1cccc(F)c1
CCOCc1nc(-c2ccccc2Br)c(C)s1 CCOC[*:1] Cc1sc(nc1-c1ccccc1Br)[*:1]
CCOCc1nc(-c2ccccc2Br)c(C)s1 CCO[*:1] Cc1sc(C[*:1])nc1-c1ccccc1Br
C[C@H](NC(=O)CCOc1cccc(Br)c1)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)CCOc1cccc(Br)c1)[*:1]
C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(-n2nc(C)cc2C)cc1 Cc1cc(C)n(n1)[*:1] C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(cc1)[*:1]
C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(-n2nc(C)cc2C)cc1 C=CC[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)CS(=O)(=O)[C@H](C)C(=O)N[*:1]
C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(-n2nc(C)cc2C)cc1 C=CCNC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1)CS(=O)(=O)[C@H](C)[*:1]
CC[C@@H](CO)[NH+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 O=[N+]([O-])[*:1] CC[C@@H](CO)[NH+]1CCN(CC1)Cc1csc(n1)-c1cccc(c1)[*:1]
COc1ccc(-n2ccc(CNC(=O)C(=O)Nc3cc(C(C)(C)C)on3)n2)cc1 COc1ccc(cc1)[*:1] CC(C)(C)c1cc(no1)NC(=O)C(=O)NCc1ccn(n1)[*:1]
COc1ccc(-n2ccc(CNC(=O)C(=O)Nc3cc(C(C)(C)C)on3)n2)cc1 CC(C)(C)c1cc(no1)[*:1] COc1ccc(cc1)-n1ccc(CNC(=O)C(=O)N[*:1])n1
COc1ccc(-n2ccc(CNC(=O)C(=O)Nc3cc(C(C)(C)C)on3)n2)cc1 CC(C)(C)[*:1] COc1ccc(cc1)-n1ccc(CNC(=O)C(=O)Nc2cc(on2)[*:1])n1
C[C@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1nc(C(C)(C)C)no1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)c1cnc(s1)[*:1])c1nc(no1)C(C)(C)C
C[C@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] C[C@H](NC(=O)c1cnc(s1)[C@@H]1CCCO1)c1nc(no1)[*:1]
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc([N+](=O)[O-])c2)n2nc(C(F)(F)F)nc2N1 O=[N+]([O-])c1cccc(c1)[*:1] CC1Nc2nc(nn2[C@H](C=1C(=O)Nc1ccc(C)cc1C)[*:1])C(F)(F)F
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc([N+](=O)[O-])c2)n2nc(C(F)(F)F)nc2N1 Cc1ccc(NC(=O)[*:1])c(C)c1 CC1Nc2nc(nn2[C@@H](C=1[*:1])c1cccc(c1)[N+](=O)[O-])C(F)(F)F
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc([N+](=O)[O-])c2)n2nc(C(F)(F)F)nc2N1 O=[N+]([O-])[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)Nc1ccc(C)cc1C)c1cccc(c1)[*:1])C(F)(F)F
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc([N+](=O)[O-])c2)n2nc(C(F)(F)F)nc2N1 Cc1ccc(c(C)c1)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)N[*:1])c1cccc(c1)[N+](=O)[O-])C(F)(F)F
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc([N+](=O)[O-])c2)n2nc(C(F)(F)F)nc2N1 FC(F)(F)[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)Nc1ccc(C)cc1C)c1cccc(c1)[N+](=O)[O-])[*:1]
C[C@H](CCc1cccc(F)c1)/C([O-])=N/S(=O)(=O)C1CCCCC1 Fc1cccc(c1)[*:1] C[C@H](CC[*:1])/C([O-])=N/S(=O)(=O)C1CCCCC1
C[C@H](CCc1cccc(F)c1)/C([O-])=N/S(=O)(=O)C1CCCCC1 C1CCC(CC1)[*:1] C[C@H](CCc1cccc(F)c1)/C([O-])=N/S(=O)(=O)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 C(#C[*:1])c1ccccn1 CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(c1)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 CC[C@@H](C)C[*:1] C[C@@H](NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)[*:1]
CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 CC[C@@H](C)[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1
CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 c1ccc(nc1)[*:1] CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C#C[*:1])c1
Cc1cccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)S(=O)(=O)NC[C@H](O)[*:1]
CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccs1 c1ccc(cc1)[*:1] CCCN1C(=O)c2[nH]nc(c2[C@H]1c1cccs1)[*:1]
CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccs1 CCC[*:1] O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccs2)N1[*:1]
CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccs1 c1csc(c1)[*:1] CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1[*:1]
CCC[NH2+][C@@H](CSC)Cc1nc2ccccc2s1 CCC[*:1] CSC[C@@H](Cc1nc2ccccc2s1)[NH2+][*:1]
CCC[NH2+][C@@H](CSC)Cc1nc2ccccc2s1 CSC[*:1] CCC[NH2+][C@@H](Cc1nc2ccccc2s1)[*:1]
C[C@H](CCCO)NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O Fc1ccccc1[*:1] C[C@H](CCCO)NC(=O)N[C@@H]1CCCN(C1=O)[*:1]
C[C@H](CCCO)NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O OCCC[*:1] C[C@H](NC(=O)N[C@@H]1CCCN(C1=O)c1ccccc1F)[*:1]
C[C@H](CCCO)NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O C[C@H](CCCO)[*:1] O=C(N[C@@H]1CCCN(C1=O)c1ccccc1F)N[*:1]
C[C@H](CCCO)NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O OCC[*:1] C[C@H](C[*:1])NC(=O)N[C@@H]1CCCN(C1=O)c1ccccc1F
COC(=O)[C@H](O)c1cc(C)cc(F)c1 COC(=O)[*:1] Cc1cc(F)cc(c1)[C@@H](O)[*:1]
CC(C)C[C@H](NS(=O)(=O)c1c(F)cccc1F)c1cccs1 CC(C)C[*:1] O=S(=O)(N[C@H](c1cccs1)[*:1])c1c(F)cccc1F
CC(C)C[C@H](NS(=O)(=O)c1c(F)cccc1F)c1cccs1 c1csc(c1)[*:1] CC(C)C[C@H](NS(=O)(=O)c1c(F)cccc1F)[*:1]
CC(C)C[C@H](NS(=O)(=O)c1c(F)cccc1F)c1cccs1 CC(C)[*:1] O=S(=O)(N[C@@H](C[*:1])c1cccs1)c1c(F)cccc1F
COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)c1 COc1cccc(c1)[*:1] N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1[*:1]
COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)c1 c1ccc(nc1)[*:1] COc1cccc(c1)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(c21)[*:1]
CCCCN(C)C(=O)NCCOc1ccccc1C CCCC[*:1] Cc1ccccc1OCCNC(=O)N(C)[*:1]
CCCCN(C)C(=O)NCCOc1ccccc1C CCC[*:1] Cc1ccccc1OCCNC(=O)N(C)C[*:1]
Cc1noc(CCC(=O)OCc2cccc(F)c2)n1 Cc1noc(n1)[*:1] O=C(CC[*:1])OCc1cccc(F)c1
CCSc1nc(CC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC)cs1 CCS[*:1] CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1csc(n1)[*:1]
CCSc1nc(CC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC)cs1 CNC(=O)[*:1] CCSc1nc(cs1)CC(=O)N1C[C@@H]([NH3+])C[C@@H]1[*:1]
CC(C)COCCNC(=O)Cc1ccc(Br)s1 CC(C)CO[*:1] O=C(Cc1ccc(Br)s1)NCC[*:1]
CC(C)COCCNC(=O)Cc1ccc(Br)s1 CC(C)C[*:1] O=C(Cc1ccc(Br)s1)NCCO[*:1]
CC(C)COCCNC(=O)Cc1ccc(Br)s1 CC(C)[*:1] O=C(Cc1ccc(Br)s1)NCCOC[*:1]
Cc1cc(C[NH+]2CCN([C@H](C)C(=O)N3c4ccccc4C[C@H]3C)CC2)no1 Cc1cc(no1)[*:1] C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[NH+](CC1)C[*:1]
Cc1cc(C[NH+]2CCN([C@H](C)C(=O)N3c4ccccc4C[C@H]3C)CC2)no1 Cc1cc(C[*:1])no1 C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[NH+](CC1)[*:1]
COC(=O)c1cc(CN2C[C@H](c3ccccc3)OCC2(C)C)c[nH]1 COC(=O)[*:1] CC1(C)CO[C@H](CN1Cc1c[nH]c(c1)[*:1])c1ccccc1
COC(=O)c1cc(CN2C[C@H](c3ccccc3)OCC2(C)C)c[nH]1 c1ccc(cc1)[*:1] COC(=O)c1cc(c[nH]1)CN1C[C@H](OCC1(C)C)[*:1]
COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)[NH+]1CCCC1 COc1ccccc1[*:1] CC(=O)Nc1cc(ccc1C)NC(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)[NH+]1CCCC1 CC(=O)N[*:1] COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C)c(c1)[*:1])[NH+]1CCCC1
O=C(/C=C(/[O-])c1ccco1)c1ccc(Cl)s1 c1coc(c1)[*:1] O=C(/C=C(/[O-])[*:1])c1ccc(Cl)s1
CCOc1ccc(CC(=O)NCc2cccc(OC)c2)cc1 CCO[*:1] COc1cccc(c1)CNC(=O)Cc1ccc(cc1)[*:1]
O=C(Nc1sccc1C(=O)[O-])c1cc2c(F)cccc2s1 O=C([O-])[*:1] O=C(Nc1sccc1[*:1])c1cc2c(F)cccc2s1
CCOc1ncnc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCOc1ncnc(c1[*:1])N1CCN(CC1)c1cccc[nH+]1
CCOc1ncnc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] CCO[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CC1)c1cccc[nH+]1
Cc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)cn1 c1ncc(cn1)[*:1] Cc1ccc(cn1)C(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)cn1 Cc1ccc(cn1)[*:1] C[C@H](NC(=O)[*:1])c1ccc(cc1)-c1cncnc1
C[C@@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 CS(=O)(=O)[*:1] C[C@@H]([NH2+][C@H]1CCC[C@H](C1)[*:1])c1ccco1
C[C@@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 c1coc(c1)[*:1] C[C@@H]([NH2+][C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
CCC[C@@H]1CN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CCO1 CC(C)c1nccn1C[*:1] CCC[C@@H]1CN(CCO1)C(=O)Nc1cccc(c1)[*:1]
CCC[C@@H]1CN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CCO1 CC(C)c1nccn1[*:1] CCC[C@@H]1CN(CCO1)C(=O)Nc1cccc(c1)C[*:1]
CCC[C@@H]1CN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CCO1 CCC[*:1] CC(C)c1nccn1Cc1cccc(c1)NC(=O)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CCO1 CC(C)[*:1] CCC[C@@H]1CN(CCO1)C(=O)Nc1cccc(c1)Cn1ccnc1[*:1]
C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Br Fc1ccccc1[*:1] C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N[*:1])C2=O)cc1Br
C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Br O=C(Nc1ccccc1F)[*:1] C#CCOc1ccc(/C=C2/SC(=O)N(C[*:1])C2=O)cc1Br
C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Br C#CCO[*:1] O=C(CN1C(=O)S/C(=C/c2ccc(c(Br)c2)[*:1])C1=O)Nc1ccccc1F
C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Br C#CC[*:1] O=C(CN1C(=O)S/C(=C/c2ccc(O[*:1])c(Br)c2)C1=O)Nc1ccccc1F
O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)S(=O)(=O)/N=C1\CCCCCN1)[*:1]
CCCn1nc(C)c(CN2CCc3c(F)ccc(F)c3C2)c1C CCC[*:1] Cc1nn(c(C)c1CN1CCc2c(F)ccc(F)c2C1)[*:1]
COc1cccc(NC(=O)N2CC[NH+](Cc3nnnn3-c3cccc(F)c3)CC2)c1OC Fc1cccc(c1)[*:1] COc1cccc(NC(=O)N2CC[NH+](CC2)Cc2nnnn2[*:1])c1OC
COc1cccc(NC(=O)N2CC[NH+](Cc3nnnn3-c3cccc(F)c3)CC2)c1OC COc1cccc(c1OC)[*:1] O=C(N[*:1])N1CC[NH+](CC1)Cc1nnnn1-c1cccc(F)c1
C[C@@H](OC(=O)C1CCC1)C(=O)Nc1ccccc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)C1CCC1)C(=O)Nc1ccccc1[*:1]
C[C@@H](OC(=O)C1CCC1)C(=O)Nc1ccccc1-c1ccccc1 O=C(O[*:1])C1CCC1 C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[*:1]
C[C@@H](OC(=O)C1CCC1)C(=O)Nc1ccccc1-c1ccccc1 C1CC(C1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1ccccc1-c1ccccc1
Cc1ccc([C@@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1C Cc1ccc(cc1C)[*:1] C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)[*:1]
c1ccc(-c2cnc(CN[C@H]3CCOc4ccccc43)s2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)OCC[C@@H]2NCc1ncc(s1)[*:1]
O=C(c1cc(Cl)cc2cccnc12)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)N[*:1] O=C(c1cc(Cl)cc2cccnc12)N1CC[C@H](C1)[*:1]
O=C(c1cc(Cl)cc2cccnc12)N1CC[C@H](Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1cc(Cl)cc2cccnc12)N1CC[C@@H](C1)N[*:1]
COc1ccc(C#CC[NH3+])cc1CSC[C@@H](C)CO [NH3+]CC#C[*:1] COc1ccc(cc1CSC[C@@H](C)CO)[*:1]
COc1ccc(C#CC[NH3+])cc1CSC[C@@H](C)CO C[C@@H](CO)C[*:1] COc1ccc(C#CC[NH3+])cc1CS[*:1]
COc1ccc(C#CC[NH3+])cc1CSC[C@@H](C)CO C[C@@H](CO)[*:1] COc1ccc(C#CC[NH3+])cc1CSC[*:1]
COc1ccc(C#CC[NH3+])cc1CSC[C@@H](C)CO C[C@@H](CO)CS[*:1] COc1ccc(C#CC[NH3+])cc1C[*:1]
O=C(Cc1c(F)cccc1F)N1CCN(c2ccc(Cl)cn2)CC1 Clc1ccc(nc1)[*:1] O=C(Cc1c(F)cccc1F)N1CCN(CC1)[*:1]
O=C(Cc1c(F)cccc1F)N1CCN(c2ccc(Cl)cn2)CC1 Fc1cccc(F)c1[*:1] O=C(C[*:1])N1CCN(CC1)c1ccc(Cl)cn1
Cc1nc(S(=O)(=O)Cc2ncoc2C(C)C)n(CC(C)C)c1C CC(C)[*:1] Cc1nc(n(CC(C)C)c1C)S(=O)(=O)Cc1ncoc1[*:1]
Cc1nc(S(=O)(=O)Cc2ncoc2C(C)C)n(CC(C)C)c1C CC(C)C[*:1] Cc1nc(n(c1C)[*:1])S(=O)(=O)Cc1ncoc1C(C)C
Cc1nc(S(=O)(=O)Cc2ncoc2C(C)C)n(CC(C)C)c1C CC(C)[*:1] Cc1nc(n(C[*:1])c1C)S(=O)(=O)Cc1ncoc1C(C)C
CNC(=O)CC1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 CNC(=O)[*:1] O=C(c1ccc(cc1)Cn1cccn1)N1CCC(CC1)C[*:1]
CNC(=O)CC1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 CNC(=O)C[*:1] O=C(c1ccc(cc1)Cn1cccn1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 c1cnn(c1)C[*:1] CNC(=O)CC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CNC(=O)CC1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 c1cnn(c1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)c1ccc(cc1)C[*:1]
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)[C@@H]3N=C4C=C(C)C=C[C@@H]4N3)o2)cc1 CC(=O)[*:1] CC1C=C[C@@H]2N[C@@H](N=C2C=1)/C(C#N)=C\c1ccc(o1)-c1ccc(cc1)[*:1]
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)[C@@H]3N=C4C=C(C)C=C[C@@H]4N3)o2)cc1 CC(=O)c1ccc(cc1)[*:1] CC1C=C[C@@H]2N[C@@H](N=C2C=1)/C(C#N)=C\c1ccc(o1)[*:1]
C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C#N)nc1 N#Cc1ccc(cn1)[*:1] C=CCN(Cc1nc(no1)-c1ccccc1)C(=O)[*:1]
C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C#N)nc1 c1ccc(cc1)[*:1] C=CCN(Cc1nc(no1)[*:1])C(=O)c1ccc(C#N)nc1
C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C#N)nc1 C=CC[*:1] N#Cc1ccc(cn1)C(=O)N(Cc1nc(no1)-c1ccccc1)[*:1]
O=C(C1CCCCC1)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(C1CCCCC1)N1CCC(CC1)Nc1ncccc1[*:1]
O=C(C1CCCCC1)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1 C1CCC(CC1)[*:1] O=C(N1CCC(CC1)Nc1ncccc1[N+](=O)[O-])[*:1]
CC(C)c1ccc(-c2noc(CSc3nncs3)n2)cc1 c1nnc(S[*:1])s1 CC(C)c1ccc(cc1)-c1noc(C[*:1])n1
CC(C)c1ccc(-c2noc(CSc3nncs3)n2)cc1 c1nnc(s1)[*:1] CC(C)c1ccc(cc1)-c1noc(CS[*:1])n1
CC(C)c1ccc(-c2noc(CSc3nncs3)n2)cc1 c1nnc(SC[*:1])s1 CC(C)c1ccc(cc1)-c1noc(n1)[*:1]
CC(C)c1ccc(-c2noc(CSc3nncs3)n2)cc1 CC(C)[*:1] c1nnc(SCc2nc(no2)-c2ccc(cc2)[*:1])s1
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 CC(C)(C)[*:1] O=C([O-])CNC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 O=C([O-])CNC(=O)[*:1] CC(C)(C)NS(=O)(=O)c1ccc(cc1)[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 O=C([O-])[*:1] CC(C)(C)NS(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 O=C([O-])C[*:1] CC(C)(C)NS(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 O=[N+]([O-])[*:1] C[C@H]1CCc2c(C1)sc1N[C@@H](N=C(O)c12)c1ccc(o1)-c1ccccc1[*:1]
C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 O=[N+]([O-])c1ccccc1[*:1] C[C@H]1CCc2c(C1)sc1N[C@@H](N=C(O)c12)c1ccc(o1)[*:1]
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 CC(C)CO[*:1] CC[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 CC[C@@H](C)[*:1] CC(C)COc1ccc(cc1)NC(=O)C(=O)N[*:1]
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 CC(C)C[*:1] CC[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)O[*:1]
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 CC(C)[*:1] CC[C@@H](C)NC(=O)C(=O)Nc1ccc(cc1)OC[*:1]
C[NH2+][C@@H](COC)CSC1CCCC1 COC[*:1] C[NH2+][C@@H](CSC1CCCC1)[*:1]
CCNc1nc(C)nc2oc(C)c(C(=O)OCC)c12 CCN[*:1] CCOC(=O)c1c(C)oc2nc(C)nc(c12)[*:1]
CCNc1nc(C)nc2oc(C)c(C(=O)OCC)c12 CCOC(=O)[*:1] CCNc1nc(C)nc2oc(C)c(c12)[*:1]
Cc1ccc([C@@H](C)NC[C@@H](O)c2cccc(OC(F)F)c2)cc1F FC(F)O[*:1] Cc1ccc(cc1F)[C@@H](C)NC[C@@H](O)c1cccc(c1)[*:1]
Cc1ccc([C@@H](C)NC[C@@H](O)c2cccc(OC(F)F)c2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC[C@@H](O)c1cccc(c1)OC(F)F)[*:1]
Cc1ccc([C@@H](C)NC[C@@H](O)c2cccc(OC(F)F)c2)cc1F FC(F)[*:1] Cc1ccc(cc1F)[C@@H](C)NC[C@@H](O)c1cccc(c1)O[*:1]
CNC(=O)c1ccc(CSCC2CCOCC2)cc1 C1CC(CCO1)[*:1] CNC(=O)c1ccc(cc1)CSC[*:1]
CNC(=O)c1ccc(CSCC2CCOCC2)cc1 CNC(=O)[*:1] c1cc(ccc1CSCC1CCOCC1)[*:1]
CSCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)[O-] O=C([O-])[*:1] CSCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)[*:1]
CSCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)[O-] CSC[*:1] Cc1cc(ccc1F)S(=O)(=O)N[C@H](C[*:1])C(=O)[O-]
CSCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)[O-] CSCC[*:1] Cc1cc(ccc1F)S(=O)(=O)N[C@@H](C(=O)[O-])[*:1]
CC(=O)Nc1nc(C(=O)N[C@H](C)c2ccccn2)cs1 c1ccc(nc1)[*:1] CC(=O)Nc1nc(cs1)C(=O)N[C@H](C)[*:1]
CC(=O)Nc1nc(C(=O)N[C@H](C)c2ccccn2)cs1 CC(=O)N[*:1] C[C@@H](NC(=O)c1csc(n1)[*:1])c1ccccn1
CCC[C@H](C[NH3+])N1CCC(OC)CC1 CCC[*:1] COC1CCN(CC1)[C@@H](C[NH3+])[*:1]
Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+]Cc5ccco5)C4=O)cc3)sc2c1 Cc1ccc2nc(sc2c1)[*:1] O=C1C[C@H]([NH2+]Cc2ccco2)C(=O)N1c1ccc(cc1)[*:1]
Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+]Cc5ccco5)C4=O)cc3)sc2c1 c1coc(c1)[*:1] Cc1ccc2nc(sc2c1)-c1ccc(cc1)N1C(=O)C[C@H]([NH2+]C[*:1])C1=O
O=c1[nH]nc2c(N3CCC[C@H]([NH2+]C4CCOCC4)C3)nccn12 C1CC(CCO1)[*:1] O=c1[nH]nc2c(nccn12)N1CCC[C@@H](C1)[NH2+][*:1]
CCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCCSc1oc(nc1S(=O)(=O)c1ccccc1)[*:1]
CCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] CCCSc1oc(nc1S(=O)(=O)[*:1])-c1ccccc1
CCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 CCCS[*:1] O=S(=O)(c1ccccc1)c1nc(oc1[*:1])-c1ccccc1
CCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 CCC[*:1] O=S(=O)(c1ccccc1)c1nc(oc1S[*:1])-c1ccccc1
Cc1ccc(Cl)c(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] Cc1ccc(Cl)c(c1)NC(=O)CS(=O)(=O)[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccncc1 c1cc(ccn1)C[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])N[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccncc1 c1cc(ccn1)[*:1] O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])NC[*:1]
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccncc1 O=[N+]([O-])[*:1] O=C(/C=C/c1ccc(cc1)[*:1])NCc1ccncc1
CS(=O)(=O)CCNC(=O)c1ccncc1C#CCCO CS(=O)(=O)[*:1] O=C(NCC[*:1])c1ccncc1C#CCCO
CS(=O)(=O)CCNC(=O)c1ccncc1C#CCCO OCC[*:1] CS(=O)(=O)CCNC(=O)c1ccncc1C#C[*:1]
CS(=O)(=O)CCNC(=O)c1ccncc1C#CCCO CS(=O)(=O)C[*:1] O=C(NC[*:1])c1ccncc1C#CCCO
CS(=O)(=O)CCNC(=O)c1ccncc1C#CCCO CS(=O)(=O)CC[*:1] O=C(N[*:1])c1ccncc1C#CCCO
CS(=O)(=O)CCNC(=O)c1ccncc1C#CCCO OCCC#C[*:1] CS(=O)(=O)CCNC(=O)c1ccncc1[*:1]
CC(C)(Br)C(=O)Nc1nc2c(F)cc(Br)cc2s1 CC(C)(Br)[*:1] O=C(Nc1nc2c(F)cc(Br)cc2s1)[*:1]
c1coc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1 c1coc(c1)[*:1] C1C[C@@]2(CO1)C[C@@H](CCO2)[NH2+]C[*:1]
COC(=O)c1cc(Br)cc(OC(=O)Cn2cccn2)c1 COC(=O)[*:1] O=C(Cn1cccn1)Oc1cc(Br)cc(c1)[*:1]
COC(=O)c1cc(Br)cc(OC(=O)Cn2cccn2)c1 c1cnn(c1)C[*:1] COC(=O)c1cc(Br)cc(c1)OC(=O)[*:1]
COC(=O)c1cc(Br)cc(OC(=O)Cn2cccn2)c1 c1cnn(c1)[*:1] COC(=O)c1cc(Br)cc(c1)OC(=O)C[*:1]
CC[C@@H](C)[C@H](NC(=O)CCc1ccc(F)c(F)c1)C(=O)[O-] CC[C@@H](C)[*:1] O=C(CCc1ccc(F)c(F)c1)N[C@H](C(=O)[O-])[*:1]
CC[C@@H](C)[C@H](NC(=O)CCc1ccc(F)c(F)c1)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@H](NC(=O)CCc1ccc(F)c(F)c1)[*:1]
N#Cc1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CCCC2 O=C1CCC(=O)N1[*:1] N#Cc1c(NC(=O)C[*:1])sc2CCCCc21
CCn1cnnc1CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] CCn1cnnc1CN[C@@H](c1cccc(c1)[*:1])C1CC1
CCn1cnnc1CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] CCn1cnnc1CN[C@@H](c1cccc(c1)C(F)(F)F)[*:1]
CCn1cnnc1CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 CCn1cnnc1[*:1] FC(F)(F)c1cccc(c1)[C@H](NC[*:1])C1CC1
Cc1sc(C(=O)OCCn2cncn2)cc1-c1ccc(F)cc1 c1ncn(n1)[*:1] Cc1sc(cc1-c1ccc(F)cc1)C(=O)OCC[*:1]
Cc1sc(C(=O)OCCn2cncn2)cc1-c1ccc(F)cc1 c1ncn(C[*:1])n1 Cc1sc(cc1-c1ccc(F)cc1)C(=O)OC[*:1]
Cc1sc(C(=O)OCCn2cncn2)cc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(cc1[*:1])C(=O)OCCn1cncn1
Cc1sc(C(=O)OCCn2cncn2)cc1-c1ccc(F)cc1 c1ncn(CC[*:1])n1 Cc1sc(cc1-c1ccc(F)cc1)C(=O)O[*:1]
CCN(C(=O)c1cnc(-c2ccccc2)s1)c1ccc(F)cc1 c1ccc(cc1)[*:1] CCN(C(=O)c1cnc(s1)[*:1])c1ccc(F)cc1
CCN(C(=O)c1cnc(-c2ccccc2)s1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCN(C(=O)c1cnc(s1)-c1ccccc1)[*:1]
COc1cc(OC)cc([C@H](N[C@@H](C)c2cnc(C)s2)c2[nH+]ccn2C)c1 Cc1ncc(s1)[*:1] COc1cc(cc(c1)[C@H](N[C@@H](C)[*:1])c1[nH+]ccn1C)OC
COc1cc(OC)cc([C@H](N[C@@H](C)c2cnc(C)s2)c2[nH+]ccn2C)c1 Cc1ncc(s1)[C@H](C)[*:1] COc1cc(cc(c1)[C@H](N[*:1])c1[nH+]ccn1C)OC
C[C@@H](CNC(=O)N(C)C[C@@H]1CCCO1)Sc1ccccc1 C1CO[C@@H](C1)[*:1] C[C@@H](CNC(=O)N(C)C[*:1])Sc1ccccc1
C[C@@H](CNC(=O)N(C)C[C@@H]1CCCO1)Sc1ccccc1 C1CO[C@@H](C1)C[*:1] C[C@@H](CNC(=O)N(C)[*:1])Sc1ccccc1
C[C@@H](CNC(=O)N(C)C[C@@H]1CCCO1)Sc1ccccc1 c1ccc(cc1)S[*:1] C[C@@H](CNC(=O)N(C)C[C@@H]1CCCO1)[*:1]
C[C@@H](CNC(=O)N(C)C[C@@H]1CCCO1)Sc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)N(C)C[C@@H]1CCCO1)S[*:1]
O=C([O-])C1CN(c2cnccn2)C1 O=C([O-])[*:1] c1cnc(cn1)N1CC(C1)[*:1]
COC[C@@H](NC(=O)Nc1ccccc1OC)c1ccc(F)c(F)c1 COc1ccccc1[*:1] COC[C@@H](NC(=O)N[*:1])c1ccc(F)c(F)c1
COC[C@@H](NC(=O)Nc1ccccc1OC)c1ccc(F)c(F)c1 COC[*:1] COc1ccccc1NC(=O)N[C@@H](c1ccc(F)c(F)c1)[*:1]
COC[C@@H](NC(=O)Nc1ccccc1OC)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](NC(=O)Nc1ccccc1OC)[*:1]
O=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CC1CCN(CC1)S(=O)(=O)c1cccs1)NC[*:1]
O=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] O=C(CC1CCN(CC1)S(=O)(=O)c1cccs1)N[*:1]
O=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)NCc1ccc(Cl)cc1 c1csc(c1)[*:1] O=C(CC1CCN(CC1)S(=O)(=O)[*:1])NCc1ccc(Cl)cc1
N#C[C@H](NC(=O)[C@H]1CC12CCOCC2)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#C[C@H](NC(=O)[C@H]1CC12CCOCC2)[*:1]
Cc1cnc(CCNC(=O)CN(C)c2ccccc2)s1 Cc1cnc(s1)[*:1] CN(CC(=O)NCC[*:1])c1ccccc1
Cc1cnc(CCNC(=O)CN(C)c2ccccc2)s1 c1ccc(cc1)[*:1] Cc1cnc(CCNC(=O)CN(C)[*:1])s1
O=C(C[C@@H]1S/C(=N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1S/C(=N/N=C/c2c([nH]c3ccccc23)-c2ccccc2)NC1=O)N[*:1]
O=C(C[C@@H]1S/C(=N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1S/C(=N/N=C/c2c([nH]c3ccccc23)[*:1])NC1=O)Nc1ccccc1
O=C(C[C@@H]1S/C(=N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O)Nc1ccccc1 O=C(C[*:1])Nc1ccccc1 O=C1N/C(=N\N=C\c2c([nH]c3ccccc23)-c2ccccc2)S[C@H]1[*:1]
O=C(C[C@@H]1S/C(=N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] O=C1N/C(=N\N=C\c2c([nH]c3ccccc23)-c2ccccc2)S[C@H]1C[*:1]
Cc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 C1CO[C@H](C1)[*:1] Cc1ccc(cc1)S(=O)(=O)C[*:1]
COc1ccc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(N1CCN(CC1)c1ccc2nncn2n1)[*:1]
C/[NH+]=C(/NCc1cccc(C)c1)NCc1ccc(-n2ccnc2)c(F)c1 Cc1cccc(c1)C[*:1] C/[NH+]=C(\NCc1ccc(c(F)c1)-n1ccnc1)N[*:1]
C/[NH+]=C(/NCc1cccc(C)c1)NCc1ccc(-n2ccnc2)c(F)c1 c1cn(cn1)[*:1] C/[NH+]=C(/NCc1cccc(C)c1)NCc1ccc(c(F)c1)[*:1]
C/[NH+]=C(/NCc1cccc(C)c1)NCc1ccc(-n2ccnc2)c(F)c1 Cc1cccc(c1)[*:1] C/[NH+]=C(\NCc1ccc(c(F)c1)-n1ccnc1)NC[*:1]
Cc1ncsc1Cn1c(SCC(=O)[O-])nc2cnccc21 Cc1ncsc1[*:1] O=C([O-])CSc1nc2cnccc2n1C[*:1]
Cc1ncsc1Cn1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])CS[*:1] Cc1ncsc1Cn1c(nc2cnccc21)[*:1]
Cc1ncsc1Cn1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])C[*:1] Cc1ncsc1Cn1c(nc2cnccc21)S[*:1]
Cc1ncsc1Cn1c(SCC(=O)[O-])nc2cnccc21 O=C([O-])[*:1] Cc1ncsc1Cn1c(nc2cnccc21)SC[*:1]
Cc1ncsc1Cn1c(SCC(=O)[O-])nc2cnccc21 Cc1ncsc1C[*:1] O=C([O-])CSc1nc2cnccc2n1[*:1]
CCCc1nc(CS(=O)(=O)CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cs1 CCC[*:1] C[C@@H]1[C@H](CCC[C@H]1C)NC(=O)CS(=O)(=O)Cc1csc(n1)[*:1]
CCCc1nc(CS(=O)(=O)CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cs1 CCCc1nc(cs1)[*:1] C[C@@H]1[C@H](CCC[C@H]1C)NC(=O)CS(=O)(=O)C[*:1]
Cc1cccc2[nH+]c(CNc3ccccc3C(=O)NCC(F)(F)F)cn12 FC(F)(F)[*:1] Cc1cccc2[nH+]c(cn12)CNc1ccccc1C(=O)NC[*:1]
Cc1cccc2[nH+]c(CNc3ccccc3C(=O)NCC(F)(F)F)cn12 FC(F)(F)C[*:1] Cc1cccc2[nH+]c(cn12)CNc1ccccc1C(=O)N[*:1]
Cc1cccc2[nH+]c(CNc3ccccc3C(=O)NCC(F)(F)F)cn12 O=C(NCC(F)(F)F)[*:1] Cc1cccc2[nH+]c(cn12)CNc1ccccc1[*:1]
CCN(C[C@@H]1CCOC1)C(=O)/C=C(/C)c1ccccc1OC C1C[C@H](CO1)C[*:1] CCN(C(=O)/C=C(/C)c1ccccc1OC)[*:1]
Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 CS(=O)(=O)[*:1] Cc1ccc(cc1)C(=O)N(C[C@@H]1CCCO1)c1nc2ccc(cc2s1)[*:1]
Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 Cc1ccc(cc1)[*:1] CS(=O)(=O)c1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)[*:1]
COCCn1c(-c2cc(OC)c(OC)c(OC)c2)n[nH]c1=S COCC[*:1] COc1cc(cc(OC)c1OC)-c1n[nH]c(=S)n1[*:1]
COCCn1c(-c2cc(OC)c(OC)c(OC)c2)n[nH]c1=S COC[*:1] COc1cc(cc(OC)c1OC)-c1n[nH]c(=S)n1C[*:1]
CC(C)COC1CCN(C(=O)CCc2ccccc2F)CC1 CC(C)CO[*:1] O=C(CCc1ccccc1F)N1CCC(CC1)[*:1]
CC(C)COC1CCN(C(=O)CCc2ccccc2F)CC1 Fc1ccccc1[*:1] CC(C)COC1CCN(CC1)C(=O)CC[*:1]
CC(C)COC1CCN(C(=O)CCc2ccccc2F)CC1 CC(C)[*:1] O=C(CCc1ccccc1F)N1CCC(CC1)OC[*:1]
CC(C)COC1CCN(C(=O)CCc2ccccc2F)CC1 CC(C)C[*:1] O=C(CCc1ccccc1F)N1CCC(CC1)O[*:1]
Cc1cccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nnnn32)c1 Brc1ccc(cc1)[*:1] Cc1cccc(c1)[C@@H]1C[C@H](Nc2nnnn21)[*:1]
Cc1cccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nnnn32)c1 Cc1cccc(c1)[*:1] Brc1ccc(cc1)[C@H]1C[C@H](n2nnnc2N1)[*:1]
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@@H](C)O)c4)cc3N2)cc1 C[C@@H](O)c1cccc(c1)[*:1] Cc1ccc(cc1)[C@@H]1C[C@H](n2nc(cc2N1)C(=O)N[*:1])C(F)(F)F
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@@H](C)O)c4)cc3N2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](O)c1cccc(c1)NC(=O)c1cc2N[C@@H](C[C@H](n2n1)C(F)(F)F)[*:1]
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@@H](C)O)c4)cc3N2)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)[C@@H]1C[C@@H](n2nc(cc2N1)C(=O)Nc1cccc(c1)[C@@H](C)O)[*:1]
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@@H](C)O)c4)cc3N2)cc1 C[C@@H](O)[*:1] Cc1ccc(cc1)[C@@H]1C[C@H](n2nc(cc2N1)C(=O)Nc1cccc(c1)[*:1])C(F)(F)F
CCn1cc(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c(C)n1 CCn1cc(c(C)n1)[*:1] O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[*:1]
O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1])[C@@H]1CCCO1
O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)[*:1]
Cc1cc(CN(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)no1 Cc1cc(C[*:1])no1 CN(C(=O)NC1CC[NH+](CC1)CC1CCCCC1)[*:1]
Cc1cc(CN(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)no1 C1CCC(CC1)C[*:1] Cc1cc(CN(C)C(=O)NC2CC[NH+](CC2)[*:1])no1
Cc1cc(CN(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)no1 Cc1cc(no1)[*:1] CN(C[*:1])C(=O)NC1CC[NH+](CC1)CC1CCCCC1
Cc1cc(CN(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)no1 C1CCC(CC1)[*:1] Cc1cc(CN(C)C(=O)NC2CC[NH+](CC2)C[*:1])no1
O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccccc1F c1ccc(cc1)[*:1] O=C(NCCN1C(=O)SC(=C[*:1])C1=O)c1ccccc1F
O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccccc1F Fc1ccccc1[*:1] O=C1S/C(=C\c2ccccc2)C(=O)N1CCNC(=O)[*:1]
CC1CCC(NC(=O)C(=O)Nc2ccc3nc(C(C)C)sc3c2)CC1 CC(C)[*:1] CC1CCC(CC1)NC(=O)C(=O)Nc1ccc2nc(sc2c1)[*:1]
CC1CCC(NC(=O)C(=O)Nc2ccc3nc(C(C)C)sc3c2)CC1 CC1CCC(CC1)[*:1] CC(C)c1nc2ccc(cc2s1)NC(=O)C(=O)N[*:1]
C[C@H](Cn1cncn1)NC(=O)c1cnoc1-c1ccccc1 c1ncn(C[*:1])n1 C[C@H](NC(=O)c1cnoc1-c1ccccc1)[*:1]
C[C@H](Cn1cncn1)NC(=O)c1cnoc1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cn1cncn1)NC(=O)c1cnoc1[*:1]
C[C@H](Cn1cncn1)NC(=O)c1cnoc1-c1ccccc1 c1ncn(n1)[*:1] C[C@H](C[*:1])NC(=O)c1cnoc1-c1ccccc1
C[C@@H]1Oc2c(cccc2C(=O)N(Cc2cccs2)Cc2cccs2)NC1=O c1csc(c1)C[*:1] C[C@@H]1Oc2c(cccc2C(=O)N(Cc2cccs2)[*:1])NC1=O
C[C@@H]1Oc2c(cccc2C(=O)N(Cc2cccs2)Cc2cccs2)NC1=O c1csc(c1)[*:1] C[C@@H]1Oc2c(cccc2C(=O)N(Cc2cccs2)C[*:1])NC1=O
Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N4CCN(C5CCCCC5)CC4)C3)sc2n1 C1CCC(CC1)[*:1] Cc1cc(=O)n2nc(sc2n1)N1CCC[C@H](C1)C(=O)N1CCN(CC1)[*:1]
COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1)CNC(=O)[C@H]1CCCN(C1)[*:1]
COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 COc1ccc(cc1)C[*:1] O=C(N[*:1])[C@H]1CCCN(C1)c1nc2ccccc2s1
COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1CCCN(C1)c1nc2ccccc2s1
CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 CC[C@@H](C)[*:1] C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)[*:1]
Cc1cc(C[NH+]2CCN(c3ccccc3F)CC2)cs1 Cc1cc(cs1)[*:1] Fc1ccccc1N1CC[NH+](CC1)C[*:1]
Cc1nc2nc(SCc3nc(Cc4ccccc4)no3)nn2c(C)c1C c1ccc(cc1)[*:1] Cc1nc2nc(nn2c(C)c1C)SCc1nc(C[*:1])no1
Cc1nc2nc(SCc3nc(Cc4ccccc4)no3)nn2c(C)c1C c1ccc(cc1)C[*:1] Cc1nc2nc(nn2c(C)c1C)SCc1nc(no1)[*:1]
Cc1ccc(-c2cccc(C(=O)N3CCOC[C@@](O)(C[NH+]4CCCC4)C3)c2)o1 Cc1ccc(o1)[*:1] O=C(c1cccc(c1)[*:1])N1CCOC[C@](O)(C1)C[NH+]1CCCC1
COC(=O)[C@H](C)NC(=O)[C@@H]1COc2ccc(F)cc2C1 COC(=O)[C@H](C)[*:1] O=C(N[*:1])[C@@H]1COc2ccc(F)cc2C1
COC(=O)[C@H](C)NC(=O)[C@@H]1COc2ccc(F)cc2C1 COC(=O)[*:1] C[C@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)[*:1]
CCOC(=O)N1CC[NH+]([C@@H]2CC(=O)N(c3ccc(O)cc3)C2=O)CC1 Oc1ccc(cc1)[*:1] CCOC(=O)N1CC[NH+](CC1)[C@@H]1CC(=O)N(C1=O)[*:1]
C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 FC(F)(F)[*:1] C[C@H](NC(=O)Nc1cccc(c1)[*:1])c1ccc2OCOc2c1
CC(C)c1nc([N-]S(=O)(=O)c2cccnc2)n(C)n1 c1cncc(c1)[*:1] CC(C)c1nc([N-]S(=O)(=O)[*:1])n(C)n1
CC(C)c1nc([N-]S(=O)(=O)c2cccnc2)n(C)n1 CC(C)[*:1] Cn1nc(nc1[N-]S(=O)(=O)c1cccnc1)[*:1]
CC[C@H](C)Oc1cccc(NC(=O)N(C)[C@H](C)CSC)c1 CSC[*:1] CC[C@H](C)Oc1cccc(c1)NC(=O)N(C)[C@H](C)[*:1]
CC[C@H](C)Oc1cccc(NC(=O)N(C)[C@H](C)CSC)c1 CC[C@H](C)O[*:1] CSC[C@@H](C)N(C)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](C)Oc1cccc(NC(=O)N(C)[C@H](C)CSC)c1 CC[C@H](C)[*:1] CSC[C@@H](C)N(C)C(=O)Nc1cccc(c1)O[*:1]
COc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1c(C)cccc1Cl Cc1cccc(Cl)c1[*:1] COc1cc(OC)c(cc1/C=C/C(=O)N[*:1])OC
COc1ccc(C(=O)NNc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1 C1CN(CCO1)C[*:1] COc1ccc(cc1)C(=O)NNc1nc(nc2sc(C)c(C)c12)[*:1]
COc1ccc(C(=O)NNc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)C(=O)NNc1nc(C[*:1])nc2sc(C)c(C)c12
COc1ccc(C(=O)NNc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1 COc1ccc(cc1)[*:1] Cc1sc2nc(CN3CCOCC3)nc(NNC(=O)[*:1])c2c1C
O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1occc1-c1ccccc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(N[C@H](CO)C[*:1])c1occc1-c1ccccc1
O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1occc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1occc1[*:1]
COc1ccc(Nc2cc(C(=O)[O-])ccn2)cc1 O=C([O-])[*:1] COc1ccc(cc1)Nc1cc(ccn1)[*:1]
C[C@@H](O)[C@@H](C)SCc1ccc(F)c2cccnc12 C[C@@H](O)[*:1] C[C@@H](SCc1ccc(F)c2cccnc12)[*:1]
CC(=O)N(C)c1ccc(NCc2coc3ccccc23)cc1 CC(=O)N(C)[*:1] c1ccc2c(coc2c1)CNc1ccc(cc1)[*:1]
CSc1nnc(C)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 Clc1cccc(Cl)c1[*:1] CSc1nnc(C)n1/N=C/c1ccc(CO[*:1])o1
CC(C)c1ccc(OCCNC(=O)Nc2cccnc2)cc1 CC(C)[*:1] O=C(NCCOc1ccc(cc1)[*:1])Nc1cccnc1
CC(C)c1ccc(OCCNC(=O)Nc2cccnc2)cc1 c1cncc(c1)[*:1] CC(C)c1ccc(cc1)OCCNC(=O)N[*:1]
CC(C)c1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccccc3)S2)cc1 c1ccc(cc1)[*:1] CC(C)c1ccc(/C=N/N=C2\NC(=O)[C@@H](C[*:1])S2)cc1
CC(C)c1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccccc3)S2)cc1 c1ccc(cc1)C[*:1] CC(C)c1ccc(/C=N/N=C2\NC(=O)[C@@H](S2)[*:1])cc1
CC(C)c1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccccc3)S2)cc1 CC(C)[*:1] O=C1N/C(=N\N=C\c2ccc(cc2)[*:1])S[C@@H]1Cc1ccccc1
O=C(CC1(C(=O)[O-])CCCCC1)Nc1ccc(N2CCOC2=O)cc1 O=C([O-])[*:1] O=C(CC1(CCCCC1)[*:1])Nc1ccc(cc1)N1CCOC1=O
O=C(CC1(C(=O)[O-])CCCCC1)Nc1ccc(N2CCOC2=O)cc1 O=C1OCCN1[*:1] O=C(CC1(CCCCC1)C(=O)[O-])Nc1ccc(cc1)[*:1]
Cc1noc(C)c1CC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1noc(C)c1CC(=O)N1CCCN(CC1)C(=O)CC[*:1]
Cc1noc(C)c1CC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)CC[*:1] Cc1noc(C)c1CC(=O)N1CCCN(CC1)C(=O)[*:1]
Cc1noc(C)c1CC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1noc(C)c1CC(=O)N1CCCN(CC1)C(=O)C[*:1]
Cc1noc(C)c1CC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 Cc1noc(C)c1C[*:1] O=C(CCc1ccccc1)N1CCCN(CC1)C(=O)[*:1]
Cc1noc(C)c1CC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 Cc1noc(C)c1[*:1] O=C(CCc1ccccc1)N1CCCN(CC1)C(=O)C[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@@H](C)C1 CC(C)[*:1] C[C@H]1CN(CCO1)C(=O)[C@@H](NC(=O)c1ccco1)[*:1]
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@@H](C)C1 c1coc(c1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCO[C@@H](C)C1
C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O C[C@@H]1C[C@@H]1C(=O)N[*:1] CS(=O)(=O)[N-]c1ccc(cc1[*:1])C(F)(F)F
C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O FC(F)(F)[*:1] C[C@@H]1C[C@@H]1C(=O)Nc1cc(ccc1[N-]S(C)(=O)=O)[*:1]
C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O C[C@@H]1C[C@H]1[*:1] CS(=O)(=O)[N-]c1ccc(cc1NC(=O)[*:1])C(F)(F)F
CCCc1[nH]nc(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCCc1[nH]nc(C(=O)N[C@H](C)c2cccc(c2)N2CCCC2)c1[*:1]
CCCc1[nH]nc(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c1[N+](=O)[O-] C1CCN(C1)[*:1] CCCc1[nH]nc(C(=O)N[C@H](C)c2cccc(c2)[*:1])c1[N+](=O)[O-]
CCCc1[nH]nc(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c1[N+](=O)[O-] CCC[*:1] C[C@@H](NC(=O)c1n[nH]c(c1[N+](=O)[O-])[*:1])c1cccc(c1)N1CCCC1
Cc1cccc(CCNC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)c1 Cc1cccc(c1)CC[*:1] O=C(N[*:1])c1cccc2CN(C(=O)c21)C1CCCCC1
Cc1cccc(CCNC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)c1 C1CCC(CC1)[*:1] Cc1cccc(c1)CCNC(=O)c1cccc2CN(C(=O)c21)[*:1]
Cc1cccc(CCNC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)c1 Cc1cccc(c1)C[*:1] O=C(NC[*:1])c1cccc2CN(C(=O)c21)C1CCCCC1
Cc1cccc(CCNC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)c1 Cc1cccc(c1)[*:1] O=C(NCC[*:1])c1cccc2CN(C(=O)c21)C1CCCCC1
C/C=C/CS(=O)(=O)Cc1cc(C)no1 CC=C[*:1] Cc1cc(CS(=O)(=O)C[*:1])on1
C/C=C/CS(=O)(=O)Cc1cc(C)no1 C/C=C/C[*:1] Cc1cc(CS(=O)(=O)[*:1])on1
COc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccc(C)cc4)nc3C2)c(OC)c1 Cc1ccc(cc1)N[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(=O)c2cnc(nc2C1)[*:1]
COc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccc(C)cc4)nc3C2)c(OC)c1 Cc1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(=O)c2cnc(nc2C1)N[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)nc1C O=C(c1ccc(Cl)cc1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C([C@H]1c1ccccc1F)[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)nc1C Fc1ccccc1[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1[*:1]
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)nc1C COC(=O)c1sc(nc1C)[*:1] O=C(C1=C([O-])C(=O)N([C@@H]1c1ccccc1F)[*:1])c1ccc(Cl)cc1
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)nc1C Clc1ccc(cc1)[*:1] COC(=O)c1sc(nc1C)N1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccccc1F
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)nc1C COC(=O)[*:1] Cc1nc(sc1[*:1])N1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F
CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)O[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(c1)[*:1]
CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(c1)O[*:1]
Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cccc1[N+](=O)[O-] Cc1c(cccc1[*:1])[N+](=O)[O-] O=C(N1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1)[*:1]
Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2CCCCc2c1
Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cccc1[N+](=O)[O-] c1cc2CCCCc2cc1[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
NC(=O)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] NC(=O)c1ccc(cc1)CS(=O)(=O)C[*:1]
NC(=O)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)cc1 NC(=O)[*:1] O=S(=O)(Cc1ccc(F)cc1)Cc1ccc(cc1)[*:1]
CC(C)n1cncc1[C@@H](O)[C@H](C)C(=O)[O-] O=C([O-])[*:1] CC(C)n1cncc1[C@@H](O)[C@H](C)[*:1]
CC(C)n1cncc1[C@@H](O)[C@H](C)C(=O)[O-] CC(C)[*:1] C[C@H](C(=O)[O-])[C@H](O)c1cncn1[*:1]
Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] Cc1nn(c(C)c1CC(=O)N[C@@H](C1CC1)[*:1])C(F)F
Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CC(=O)N[C@@H](C[*:1])C1CC1)C(F)F
Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](Cc1ccccc1)C1CC1 C1CC1[*:1] Cc1nn(c(C)c1CC(=O)N[C@@H](Cc1ccccc1)[*:1])C(F)F
Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](Cc1ccccc1)C1CC1 FC(F)[*:1] Cc1nn(c(C)c1CC(=O)N[C@@H](Cc1ccccc1)C1CC1)[*:1]
CN(C)c1cccc(C(=O)F)c1 O=C(F)[*:1] CN(C)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)F)c1 CN(C)[*:1] O=C(F)c1cccc(c1)[*:1]
CC(C)c1[nH+]ccn1CC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 CC(C)[*:1] O=S(=O)(c1cccc(c1)C(F)(F)F)N1CCC(CC1)Cn1cc[nH+]c1[*:1]
CC(C)c1[nH+]ccn1CC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC(C)c1[nH+]ccn1CC1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
Cc1cc(Br)ccc1CNC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)[*:1] Cc1cc(Br)ccc1CNC(=O)[C@@H](C)S[*:1]
Cc1cc(Br)ccc1CNC(=O)[C@@H](C)Sc1ccccn1 c1ccc(nc1)S[*:1] Cc1cc(Br)ccc1CNC(=O)[C@@H](C)[*:1]
CCOc1cccc([C@@H]2NC(=O)c3n[nH]c(C)c3N2)c1 CCO[*:1] Cc1[nH]nc2C(=O)N[C@H](Nc21)c1cccc(c1)[*:1]
CCCc1cc(C(=O)NCc2ccncc2)n(C)n1 c1cc(ccn1)[*:1] CCCc1cc(C(=O)NC[*:1])n(C)n1
CCCc1cc(C(=O)NCc2ccncc2)n(C)n1 CCC[*:1] Cn1nc(cc1C(=O)NCc1ccncc1)[*:1]
Cc1ccc(OC(F)F)c(C(=O)COC(=O)c2c[nH]c3ccccc23)c1 FC(F)O[*:1] Cc1ccc(c(c1)C(=O)COC(=O)c1c[nH]c2ccccc12)[*:1]
Cc1ccc(OC(F)F)c(C(=O)COC(=O)c2c[nH]c3ccccc23)c1 FC(F)[*:1] Cc1ccc(O[*:1])c(c1)C(=O)COC(=O)c1c[nH]c2ccccc12
C[C@H]1C[C@H](C)C[NH+](CC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)C1 Brc1ccc(cc1)[*:1] C[C@H]1C[C@H](C)C[NH+](CC2CCN(CC2)C(=O)N[*:1])C1
Cc1cnn(C[C@H]2CCCN2c2nc(N(C)C)cc(C)[nH+]2)c1 Cc1cnn(c1)C[*:1] Cc1cc(nc([nH+]1)N1CCC[C@@H]1[*:1])N(C)C
Cc1cnn(C[C@H]2CCCN2c2nc(N(C)C)cc(C)[nH+]2)c1 Cc1cnn(c1)[*:1] Cc1cc(nc([nH+]1)N1CCC[C@@H]1C[*:1])N(C)C
Cc1cnn(C[C@H]2CCCN2c2nc(N(C)C)cc(C)[nH+]2)c1 CN(C)[*:1] Cc1cnn(c1)C[C@H]1CCCN1c1nc(cc(C)[nH+]1)[*:1]
Cc1ccc(C)c(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2F)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1[*:1]
Cc1ccc(C)c(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2F)c1 Fc1ccccc1O[*:1] Cc1ccc(C)c(c1)-c1nonc1NC(=O)[C@@H](C)[*:1]
Cc1ccc(C)c(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2F)c1 Fc1ccccc1[*:1] Cc1ccc(C)c(c1)-c1nonc1NC(=O)[C@@H](C)O[*:1]
C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCCCC1(C)C C1CC1[*:1] C[C@@H]1C[NH2+][C@@](C)(CN1[C@@H]1CCCCC1(C)C)[*:1]
CCC[NH2+][C@@H](c1ccc(F)cc1C)[C@H]1CSCCS1 CCC[*:1] Cc1cc(F)ccc1[C@H]([NH2+][*:1])[C@H]1CSCCS1
COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C COC[*:1] Cc1oc(cc1C(=O)N[C@H](C)[*:1])S(=O)(=O)N(C)C
COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C CN(C)S(=O)(=O)[*:1] COC[C@@H](C)NC(=O)c1cc(oc1C)[*:1]
COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C COC[C@@H](C)[*:1] Cc1oc(cc1C(=O)N[*:1])S(=O)(=O)N(C)C
Cc1ccccc1[C@H](CC(=O)NCCc1cnccn1)c1ccccc1 c1cnc(cn1)C[*:1] Cc1ccccc1[C@H](CC(=O)NC[*:1])c1ccccc1
Cc1ccccc1[C@H](CC(=O)NCCc1cnccn1)c1ccccc1 c1cnc(cn1)CC[*:1] Cc1ccccc1[C@H](CC(=O)N[*:1])c1ccccc1
Cc1ccccc1[C@H](CC(=O)NCCc1cnccn1)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1[C@H](CC(=O)NCCc1cnccn1)[*:1]
Cc1ccccc1[C@H](CC(=O)NCCc1cnccn1)c1ccccc1 Cc1ccccc1[*:1] O=C(C[C@H](c1ccccc1)[*:1])NCCc1cnccn1
Cc1ccccc1[C@H](CC(=O)NCCc1cnccn1)c1ccccc1 c1cnc(cn1)[*:1] Cc1ccccc1[C@H](CC(=O)NCC[*:1])c1ccccc1
Cc1ccc(C[NH+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)o1 C1CCC(C1)[*:1] Cc1ccc(C[NH+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2[*:1])o1
Cc1ccc(C[NH+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)o1 Cc1ccc(C[*:1])o1 Cc1c(C#N)c(NC(=O)C[NH+](C)[*:1])n(c1C)C1CCCC1
Cc1ccc(C[NH+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)o1 Cc1ccc(o1)[*:1] Cc1c(C#N)c(NC(=O)C[NH+](C)C[*:1])n(c1C)C1CCCC1
CC[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)[*:1]
CC[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)c1ccc(C)c(F)c1 CC(C)(C)S(=O)(=O)[*:1] CC[C@@H](NC(=O)NCC[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)c1ccc(C)c(F)c1 CC(C)(C)[*:1] CC[C@@H](NC(=O)NCCS(=O)(=O)[*:1])c1ccc(C)c(F)c1
CC[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)c1ccc(C)c(F)c1 CC(C)(C)S(=O)(=O)C[*:1] CC[C@@H](NC(=O)NC[*:1])c1ccc(C)c(F)c1
Cc1ccc(CN(C(=O)Nc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)C[*:1] O=C(Nc1ccccc1)N([C@H]1CCS(=O)(=O)C1)[*:1]
Cc1ccc(CN(C(=O)Nc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] O=C(Nc1ccccc1)N(C[*:1])[C@H]1CCS(=O)(=O)C1
Cc1ccc(CN(C(=O)Nc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CN(C(=O)N[*:1])[C@H]1CCS(=O)(=O)C1
Cn1nc(N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)ccc1=O c1cc2OCOc2cc1[*:1] Cn1nc(ccc1=O)N1CCC[C@H](C1)C(=O)NC[*:1]
Cn1nc(N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)ccc1=O Cn1nc(ccc1=O)[*:1] O=C(NCc1ccc2OCOc2c1)[C@@H]1CCCN(C1)[*:1]
CCOc1ncccc1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C CCO[*:1] CC(C)[C@@H](NC(=O)c1cccnc1[*:1])c1ccc2OCCCOc2c1
CCOc1ncccc1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C CCOc1ncccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])c1ccc2OCCCOc2c1
CCOc1ncccc1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C CC(C)[*:1] CCOc1ncccc1C(=O)N[C@@H](c1ccc2OCCCOc2c1)[*:1]
Cc1nc(CN2CCN([C@H](C)c3nnnn3-c3ccccc3)CC2)cs1 Cc1nc(cs1)[*:1] C[C@H](c1nnnn1-c1ccccc1)N1CCN(CC1)C[*:1]
Cc1nc(CN2CCN([C@H](C)c3nnnn3-c3ccccc3)CC2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)CN1CCN(CC1)[C@H](C)c1nnnn1[*:1]
Cc1nc(CN2CCN([C@H](C)c3nnnn3-c3ccccc3)CC2)cs1 Cc1nc(cs1)C[*:1] C[C@H](c1nnnn1-c1ccccc1)N1CCN(CC1)[*:1]
COCCn1ccc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3OC)cc21 COC[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2ccn(C[*:1])c2c1
COCCn1ccc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3OC)cc21 COCC[*:1] CO[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2ccn(c2c1)[*:1]
Cc1ccc(F)c(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1 CS(=O)(=O)[*:1] Cc1ccc(F)c(c1)NC(=O)c1cccc(c1)C[*:1]
Cc1ccc(F)c(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1 CS(=O)(=O)C[*:1] Cc1ccc(F)c(c1)NC(=O)c1cccc(c1)[*:1]
Cc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(OCC2CC2)c1 C1CC1CO[*:1] Cc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(c1)[*:1]
Cc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(OCC2CC2)c1 C1CC1C[*:1] Cc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(c1)O[*:1]
Cc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(OCC2CC2)c1 C1CC1[*:1] Cc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(c1)OC[*:1]
C#CCNC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 C#CC[*:1] C[C@H](c1ccc(cc1)S(C)(=O)=O)N(C)C(=O)N[*:1]
C#CCNC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] C#CCNC(=O)N(C)[C@H](C)c1ccc(cc1)[*:1]
COc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+](C)C)cn1 COc1ccc(cn1)[*:1] C[NH+](C)Cc1ccccc1CNC(=O)C(=O)N[*:1]
CCOc1ncccc1CNC(=O)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CCOc1ncccc1CNC(=O)C(=O)N[*:1]
CCOc1ncccc1CNC(=O)C(=O)Nc1ccccc1 CCO[*:1] O=C(NCc1cccnc1[*:1])C(=O)Nc1ccccc1
COc1ccccc1C(=O)COc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] COc1ccccc1C(=O)COc1ccc(cc1Cl)[*:1]
COc1cc(Cn2cc(C(=O)[O-])c(=O)[nH]c2=O)ccn1 O=C([O-])[*:1] COc1cc(ccn1)Cn1cc(c(=O)[nH]c1=O)[*:1]
Cc1cc(C)c([S@@](=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] O=c1[nH]c2ccccc2nc1-c1ccccc1N[S@](=O)[*:1]
O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(NCC(c1ccccc1)c1ccccc1)C(=O)N[*:1]
O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1F c1ccc(cc1)[*:1] O=C(NCC(c1ccccc1)[*:1])C(=O)Nc1ccc(F)cc1F
CCOc1c(Br)cc(CNc2cccc(C(=O)[O-])c2C)cc1OC CCO[*:1] COc1cc(cc(Br)c1[*:1])CNc1cccc(C(=O)[O-])c1C
CCOc1c(Br)cc(CNc2cccc(C(=O)[O-])c2C)cc1OC O=C([O-])[*:1] CCOc1c(Br)cc(cc1OC)CNc1cccc(c1C)[*:1]
CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)N[C@@H](C)c3ccccc3)cc2C(=O)N1C CC(C)C[*:1] C[C@H](NC(=O)c1cc2C(=O)N(C)[C@](C)(Cn2n1)C(=O)NC[*:1])c1ccccc1
CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)N[C@@H](C)c3ccccc3)cc2C(=O)N1C CC(C)CC[*:1] C[C@H](NC(=O)c1cc2C(=O)N(C)[C@](C)(Cn2n1)C(=O)N[*:1])c1ccccc1
CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)N[C@@H](C)c3ccccc3)cc2C(=O)N1C CC(C)CCNC(=O)[*:1] C[C@H](NC(=O)c1cc2C(=O)N(C)[C@@](C)(Cn2n1)[*:1])c1ccccc1
CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)N[C@@H](C)c3ccccc3)cc2C(=O)N1C C[C@@H](c1ccccc1)[*:1] CC(C)CCNC(=O)[C@@]1(C)Cn2nc(cc2C(=O)N1C)C(=O)N[*:1]
CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)N[C@@H](C)c3ccccc3)cc2C(=O)N1C c1ccc(cc1)[*:1] CC(C)CCNC(=O)[C@@]1(C)Cn2nc(cc2C(=O)N1C)C(=O)N[C@@H](C)[*:1]
CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)N[C@@H](C)c3ccccc3)cc2C(=O)N1C CC(C)[*:1] C[C@H](NC(=O)c1cc2C(=O)N(C)[C@](C)(Cn2n1)C(=O)NCC[*:1])c1ccccc1
O=C([O-])CCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 O=C([O-])[*:1] c1ccc(cc1)C(c1ccccc1)(c1ccccc1)n1ccnc1CC[*:1]
O=C([O-])CCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C([O-])CCc1nccn1C(c1ccccc1)(c1ccccc1)[*:1]
O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2C1 O=[N+]([O-])[*:1] O=C(C1CC1)N1CCc2ccc(cc2C1)NS(=O)(=O)c1ccc(cc1)[*:1]
O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2C1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(C1CC1)N1CCc2ccc(cc2C1)NS(=O)(=O)[*:1]
O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2C1 C1CC1[*:1] O=C(N1CCc2ccc(cc2C1)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@@H]1CC(C(=O)NNC(=O)[C@@H]2CCCO2)C[C@@H](C)O1 C1CO[C@@H](C1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)NNC(=O)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1c(C)noc1C CC[C@@H](C)NC(=O)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)NCC[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)[*:1]
CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1c(C)noc1C CC[C@@H](C)[*:1] Cc1noc(C)c1[C@H](C)NC(=O)NCCC(=O)N[*:1]
FC(F)(F)c1cccnc1C[NH+]1CCCCC1 FC(F)(F)[*:1] c1cnc(C[NH+]2CCCCC2)c(c1)[*:1]
O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1-n1cnnn1 c1nnnn1[*:1] O=C(Nc1cccc(c1)-c1nnc2CCCCCn21)c1ccccc1[*:1]
O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1-n1cnnn1 C1CCc2nnc(n2CC1)[*:1] O=C(Nc1cccc(c1)[*:1])c1ccccc1-n1cnnn1
O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccco1 Fc1ccccc1[*:1] O=C(Nc1ccc2oc(nc2c1)[*:1])c1ccco1
O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc2oc(nc2c1)-c1ccccc1F)[*:1]
O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccco1 O=C(N[*:1])c1ccco1 Fc1ccccc1-c1nc2cc(ccc2o1)[*:1]
CC(=O)Nc1cccc(OCC#CCNC(=O)CC(C)C)c1 CC(C)[*:1] CC(=O)Nc1cccc(c1)OCC#CCNC(=O)C[*:1]
CC(=O)Nc1cccc(OCC#CCNC(=O)CC(C)C)c1 CC(C)C[*:1] CC(=O)Nc1cccc(c1)OCC#CCNC(=O)[*:1]
CC(=O)Nc1cccc(OCC#CCNC(=O)CC(C)C)c1 CC(C)CC(=O)N[*:1] CC(=O)Nc1cccc(c1)OCC#CC[*:1]
CC(=O)Nc1cccc(OCC#CCNC(=O)CC(C)C)c1 CC(=O)N[*:1] CC(C)CC(=O)NCC#CCOc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 CCCNC(=O)[*:1] O=C(Nc1ccc(Br)cc1)c1cccc(c1)[*:1]
CCCNC(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 CCC[*:1] O=C(Nc1ccc(Br)cc1)c1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 Brc1ccc(cc1)[*:1] CCCNC(=O)c1cccc(c1)C(=O)N[*:1]
COc1ccc([C@H]2CCCN2C(=O)c2ccc(CSc3nc(C)cs3)cc2)c(OC)c1 Cc1csc(n1)SC[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)c1ccc(cc1)[*:1]
COc1ccc([C@H]2CCCN2C(=O)c2ccc(CSc3nc(C)cs3)cc2)c(OC)c1 Cc1csc(n1)[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)c1ccc(cc1)CS[*:1]
COc1ccc([C@H]2CCCN2C(=O)c2ccc(CSc3nc(C)cs3)cc2)c(OC)c1 Cc1csc(n1)S[*:1] COc1ccc(c(c1)OC)[C@H]1CCCN1C(=O)c1ccc(cc1)C[*:1]
COc1ccc([C@H]2CCCN2C(=O)c2ccc(CSc3nc(C)cs3)cc2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Cc1csc(n1)SCc1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1]
CCCCC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C CCCCC(=O)N[*:1] Cn1c(nc2ccccc21)[C@H](c1ccccc1)[*:1]
CCCCC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C CCC[*:1] Cn1c(nc2ccccc21)[C@@H](NC(=O)C[*:1])c1ccccc1
CCCCC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C CCCC[*:1] Cn1c(nc2ccccc21)[C@@H](NC(=O)[*:1])c1ccccc1
CCCCC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C c1ccc(cc1)[*:1] CCCCC(=O)N[C@@H](c1nc2ccccc2n1C)[*:1]
O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 c1ccc(cc1)[*:1] O=C(Cn1nc(oc1=O)[*:1])Nc1cccc(c1)S(=O)(=O)/N=C1/CCCN1
C[C@H](OC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@H](OC(=O)C1CCN(CC1)C(=O)[*:1])c1ccc(Cl)cc1
C[C@H](OC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](OC(=O)C1CCN(CC1)C(=O)c1ccccc1)[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)NCCCN(C)c2ccccc2F)CC1 CN(c1ccccc1F)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NCCC[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)NCCCN(C)c2ccccc2F)CC1 Fc1ccccc1[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NCCCN(C)[*:1]
Cc1noc(C)c1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1noc(C)c1CC(=O)N1CCN(CC1)C(c1ccccc1)[*:1]
Cc1noc(C)c1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 Cc1noc(C)c1C[*:1] O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)[*:1]
Cc1noc(C)c1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 Cc1noc(C)c1[*:1] O=C(C[*:1])N1CCN(CC1)C(c1ccccc1)c1ccccc1
O=C(CN1CCN(C(=O)/C=C/c2ccc3ccccc3n2)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C(/C=C/c1ccc2ccccc2n1)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)/C=C/c2ccc3ccccc3n2)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)C(=O)/C=C/c1ccc2ccccc2n1)N[*:1]
O=C(CN1CCN(C(=O)/C=C/c2ccc3ccccc3n2)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(/C=C/c1ccc2ccccc2n1)N1CCN(CC1)[*:1]
CCn1nc(C)c(CCNC(=O)[C@@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)c1C CCn1nc(C)c(c1C)[*:1] Cc1ccc2[nH+]c([nH]c2c1)N1CCC[C@H](C1)C(=O)NCC[*:1]
CCn1nc(C)c(CCNC(=O)[C@@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)c1C CCn1nc(C)c(C[*:1])c1C Cc1ccc2[nH+]c([nH]c2c1)N1CCC[C@H](C1)C(=O)NC[*:1]
O=C1S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1cccc(O)c1 Oc1cccc(c1)[*:1] O=C1S/C(=C\c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C(=O)N1[*:1]
O=C1S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1cccc(O)c1 Clc1ccc(cc1Cl)[*:1] O=C1S/C(=C\c2ccc(o2)[*:1])C(=O)N1c1cccc(O)c1
COc1cc2c(cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)oc1ccccc12 c1csc(c1)[*:1] COc1cc2c(cc1NC(=O)[C@@H]1CCCN1C(=O)[*:1])oc1ccccc12
CCN[C@@H](c1cncc2ccccc12)[C@@](C)(CC)[NH+](C)C CCN[*:1] CC[C@](C)([C@H](c1cncc2ccccc12)[*:1])[NH+](C)C
Cc1cc(C)n(CCN2CCN(C(=O)c3ccc4ccccc4n3)CC2)n1 Cc1cc(C)n(CC[*:1])n1 O=C(c1ccc2ccccc2n1)N1CCN(CC1)[*:1]
Cc1cc(C)n(CCN2CCN(C(=O)c3ccc4ccccc4n3)CC2)n1 Cc1cc(C)n(n1)[*:1] O=C(c1ccc2ccccc2n1)N1CCN(CC1)CC[*:1]
Cc1cc(C)n(CCN2CCN(C(=O)c3ccc4ccccc4n3)CC2)n1 Cc1cc(C)n(C[*:1])n1 O=C(c1ccc2ccccc2n1)N1CCN(CC1)C[*:1]
CNS(=O)(=O)c1ccc(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)cc1 CNS(=O)(=O)[*:1] O=C(Nc1cc(CC2CCCCC2)n[nH]1)c1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)cc1 C1CCC(CC1)C[*:1] CNS(=O)(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)[*:1]
CNS(=O)(=O)c1ccc(C(=O)Nc2cc(CC3CCCCC3)n[nH]2)cc1 C1CCC(CC1)[*:1] CNS(=O)(=O)c1ccc(cc1)C(=O)Nc1cc(C[*:1])n[nH]1
CCCC[C@H]1NC(=O)N(CCC(=O)Nc2cccc(F)c2)C1=O CCCC[*:1] O=C(CCN1C(=O)N[C@@H](C1=O)[*:1])Nc1cccc(F)c1
CCCC[C@H]1NC(=O)N(CCC(=O)Nc2cccc(F)c2)C1=O Fc1cccc(c1)[*:1] CCCC[C@H]1NC(=O)N(CCC(=O)N[*:1])C1=O
CCCC[C@H]1NC(=O)N(CCC(=O)Nc2cccc(F)c2)C1=O CCC[*:1] O=C(CCN1C(=O)N[C@H](C[*:1])C1=O)Nc1cccc(F)c1
Cc1cc2ccccc2n1CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc2ccccc2n1CCNC(=O)c1ccc(Cl)c(c1)[*:1]
O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1CCCO O=[N+]([O-])c1ccc(cc1)[*:1] O=c1c2cc(I)ccc2nc(C=C[*:1])n1CCCO
O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1CCCO OCC[*:1] O=c1c2cc(I)ccc2nc(/C=C/c2ccc(cc2)[N+](=O)[O-])n1C[*:1]
O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1CCCO O=[N+]([O-])[*:1] O=c1c2cc(I)ccc2nc(/C=C/c2ccc(cc2)[*:1])n1CCCO
O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1CCCO OCCC[*:1] O=c1c2cc(I)ccc2nc(/C=C/c2ccc(cc2)[N+](=O)[O-])n1[*:1]
O=S(=O)([N-]c1cccc2[nH]ncc12)c1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] O=S(=O)([N-]c1cccc2[nH]ncc12)c1cc(ccc1Cl)[*:1]
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)NCC(C)(C)[NH+](C)C CC(C)(C)[*:1] C[C@@H]1CN(C(=O)O[*:1])[C@H](C)CN1C(=O)NCC(C)(C)[NH+](C)C
CCC[C@@H](C)C(=O)NC(CC)CC CCC[*:1] CCC(CC)NC(=O)[C@H](C)[*:1]
O=C(COc1ccccc1)N(C1=NC[C@H](c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(COc1ccccc1)N(C1=NC[C@H](S1)[*:1])c1ccccc1
O=C(COc1ccccc1)N(C1=NC[C@H](c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CO[*:1])N(C1=NC[C@@H](S1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
O=C(COc1ccccc1)N(C1=NC[C@H](c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 c1ccc(cc1)OC[*:1] O=C(N(C1=NC[C@@H](S1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1)[*:1]
O=C(COc1ccccc1)N(C1=NC[C@H](c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 O=[N+]([O-])[*:1] O=C(COc1ccccc1)N(C1=NC[C@@H](S1)c1ccc(cc1)[*:1])c1ccccc1
O=C(COc1ccccc1)N(C1=NC[C@H](c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 c1ccc(cc1)[*:1] O=C(COc1ccccc1)N(C1=NC[C@@H](S1)c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(COc1ccccc1)N(C1=NC[C@H](c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 c1ccc(cc1)O[*:1] O=C(C[*:1])N(C1=NC[C@@H](S1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
CC(C)n1ncc2cc(NC(=O)c3ccoc3)cnc21 CC(C)[*:1] O=C(Nc1cnc2c(cnn2[*:1])c1)c1ccoc1
CC(C)n1ncc2cc(NC(=O)c3ccoc3)cnc21 c1cc(co1)[*:1] CC(C)n1ncc2cc(cnc21)NC(=O)[*:1]
COc1cc(/C=C2\N=C(SC)SC2=O)ccc1OC(C)=O CC(=O)O[*:1] COc1cc(/C=C2\N=C(SC)SC2=O)ccc1[*:1]
CNC(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] CNC(=O)CNC(=O)c1ccc(cc1)[*:1]
CNC(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 CNC(=O)C[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CNC(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 CNC(=O)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NC[*:1]
CCSc1nc(CC(=O)NCC2=NN=C3CCCCC[C@H]32)cs1 CCS[*:1] O=C(Cc1csc(n1)[*:1])NCC1=NN=C2CCCCC[C@H]21
C=CCNC(=O)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F C=CCNC(=O)[*:1] O=S1(=O)CC[C@H](C1)S(=O)(=O)c1ccc(F)c(c1)[*:1]
C=CCNC(=O)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F C=CC[*:1] O=C(N[*:1])c1cc(ccc1F)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1
CCN[C@]1(C#N)CC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] CCN[C@]1(C#N)CC[C@H](C1)Oc1cc(Cl)ccc1[*:1]
CCN[C@]1(C#N)CC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 CCN[*:1] N#C[C@@]1(CC[C@H](C1)Oc1cc(Cl)ccc1[N+](=O)[O-])[*:1]
CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1cccc(F)c1 Clc1ccc(cc1Cl)[*:1] CN1C(=O)C[C@H](S/C1=N/c1cccc(F)c1)C(=O)N[*:1]
CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1cccc(F)c1 Fc1cccc(c1)[*:1] CN1C(=O)C[C@H](SC1=N[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
C[C@@H](CNC(=O)N(C)[C@@H](C)Cc1cccs1)Cn1cccn1 c1csc(c1)[*:1] C[C@@H](CNC(=O)N(C)[C@@H](C)C[*:1])Cn1cccn1
C[C@@H](CNC(=O)N(C)[C@@H](C)Cc1cccs1)Cn1cccn1 c1cnn(c1)[*:1] C[C@@H](CNC(=O)N(C)[C@@H](C)Cc1cccs1)C[*:1]
C[C@@H](CNC(=O)N(C)[C@@H](C)Cc1cccs1)Cn1cccn1 c1csc(c1)C[*:1] C[C@@H](CNC(=O)N(C)[C@@H](C)[*:1])Cn1cccn1
C[C@@H](CNC(=O)N(C)[C@@H](C)Cc1cccs1)Cn1cccn1 c1cnn(c1)C[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)NC[C@H](C)[*:1]
CC(C)NC(=O)Nc1ccc(CNC(=O)NCc2ccncc2)cc1 CC(C)[*:1] O=C(NCc1ccncc1)NCc1ccc(cc1)NC(=O)N[*:1]
CC(C)NC(=O)Nc1ccc(CNC(=O)NCc2ccncc2)cc1 CC(C)NC(=O)N[*:1] O=C(NCc1ccncc1)NCc1ccc(cc1)[*:1]
CC(C)NC(=O)Nc1ccc(CNC(=O)NCc2ccncc2)cc1 c1cc(ccn1)[*:1] CC(C)NC(=O)Nc1ccc(cc1)CNC(=O)NC[*:1]
CC(C)NC(=O)Nc1ccc(CNC(=O)NCc2ccncc2)cc1 c1cc(ccn1)C[*:1] CC(C)NC(=O)Nc1ccc(cc1)CNC(=O)N[*:1]
COC(=O)C1=Nc2ncnn2[C@@H](c2ccccc2OC)[C@H]1C(=O)c1ccccc1 COc1ccccc1[*:1] COC(=O)C1=Nc2ncnn2[C@@H]([C@H]1C(=O)c1ccccc1)[*:1]
COC(=O)C1=Nc2ncnn2[C@@H](c2ccccc2OC)[C@H]1C(=O)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)C1=Nc2ncnn2[C@@H](c2ccccc2OC)[C@H]1C(=O)[*:1]
COC(=O)C1=Nc2ncnn2[C@@H](c2ccccc2OC)[C@H]1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] COC(=O)C1=Nc2ncnn2[C@@H](c2ccccc2OC)[C@@H]1[*:1]
COCCC[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(C)c(F)c2)C1 COCC[*:1] Cc1ccc(cc1F)S(=O)(=O)N1CCC[C@@](CO)(C1)C[*:1]
COCCC[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(C)c(F)c2)C1 COC[*:1] Cc1ccc(cc1F)S(=O)(=O)N1CCC[C@](CO)(CC[*:1])C1
COCCC[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(C)c(F)c2)C1 COCCC[*:1] Cc1ccc(cc1F)S(=O)(=O)N1CCC[C@](CO)(C1)[*:1]
COCCC[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(C)c(F)c2)C1 Cc1ccc(cc1F)[*:1] COCCC[C@@]1(CO)CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(-c2nc(CN(C)Cc3ccc4nsnc4c3)c(C)o2)c(C)c1C c1cc2nsnc2cc1[*:1] COc1ccc(-c2nc(CN(C)C[*:1])c(C)o2)c(C)c1C
CCC[C@H]([NH3+])c1ccn(Cc2ncnn2CCC)c1 CCC[*:1] CCCn1ncnc1Cn1ccc(c1)[C@@H]([NH3+])[*:1]
CCC[C@H]([NH3+])c1ccn(Cc2ncnn2CCC)c1 CCC[*:1] CCC[C@H]([NH3+])c1ccn(c1)Cc1ncnn1[*:1]
CC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cnn(C)c1 Cn1cc(cn1)[*:1] CC[C@H]([NH2+]Cc1cccc2OCCCOc12)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N[C@H](C)C(=O)N1CCN(CC1)[C@@H](C(N)=O)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 CC(=O)N[C@H](C)[*:1] NC(=O)[C@@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 CC(=O)N[*:1] C[C@H](C(=O)N1CCN(CC1)[C@@H](C(N)=O)c1ccccc1)[*:1]
CC(=O)N[C@H](C)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 NC(=O)[*:1] CC(=O)N[C@H](C)C(=O)N1CCN(CC1)[C@@H](c1ccccc1)[*:1]
c1cnc(Oc2ccc(CN3CCC[C@@H](c4nnc5n4CCC5)C3)cc2)cn1 c1cnc(cn1)O[*:1] c1cc(ccc1CN1CCC[C@H](C1)c1nnc2CCCn21)[*:1]
c1cnc(Oc2ccc(CN3CCC[C@@H](c4nnc5n4CCC5)C3)cc2)cn1 C1Cc2nnc(n2C1)[*:1] c1cnc(cn1)Oc1ccc(cc1)CN1CCC[C@@H](C1)[*:1]
c1cnc(Oc2ccc(CN3CCC[C@@H](c4nnc5n4CCC5)C3)cc2)cn1 c1cnc(cn1)[*:1] c1cc(ccc1CN1CCC[C@H](C1)c1nnc2CCCn21)O[*:1]
CC(C)[C@@](C)([NH3+])[C@@H]1CCOC2(CCCC2)C1 CC(C)[*:1] C[C@@]([NH3+])([C@@H]1CCOC2(CCCC2)C1)[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)SCc1csc(-c2ccc(F)cc2)n1 Cc1cccc(C)c1[*:1] C[C@H](SCc1csc(n1)-c1ccc(F)cc1)C(=O)N[*:1]
Cc1cccc(C)c1NC(=O)[C@H](C)SCc1csc(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)[C@H](C)SCc1csc(n1)[*:1]
CN(CC(=O)Nc1cc(Cl)c(Cl)cn1)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CN(CC(=O)Nc1cc(Cl)c(Cl)cn1)c1ccccc1[*:1]
CCc1nc2cc(-c3noc(-c4ccc(F)c(F)c4)n3)ccc2o1 Fc1ccc(cc1F)[*:1] CCc1nc2cc(ccc2o1)-c1noc(n1)[*:1]
Cc1ccc(NC(=O)C(=O)NCCC(=O)NCc2ccncc2)cc1F Cc1ccc(cc1F)[*:1] O=C(CCNC(=O)C(=O)N[*:1])NCc1ccncc1
Cc1ccc(NC(=O)C(=O)NCCC(=O)NCc2ccncc2)cc1F c1cc(ccn1)C[*:1] Cc1ccc(cc1F)NC(=O)C(=O)NCCC(=O)N[*:1]
Cc1ccc(NC(=O)C(=O)NCCC(=O)NCc2ccncc2)cc1F c1cc(ccn1)[*:1] Cc1ccc(cc1F)NC(=O)C(=O)NCCC(=O)NC[*:1]
CC(C)Cn1ccc2cc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)ccc21 O=S(=O)(c1ccccc1)[*:1] CC(C)Cn1ccc2cc(ccc21)NC(=O)c1occc1C[*:1]
CC(C)Cn1ccc2cc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)ccc21 CC(C)C[*:1] O=C(Nc1ccc2c(ccn2[*:1])c1)c1occc1CS(=O)(=O)c1ccccc1
CC(C)Cn1ccc2cc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)ccc21 c1ccc(cc1)[*:1] CC(C)Cn1ccc2cc(ccc21)NC(=O)c1occc1CS(=O)(=O)[*:1]
CC(C)Cn1ccc2cc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)ccc21 O=S(=O)(C[*:1])c1ccccc1 CC(C)Cn1ccc2cc(ccc21)NC(=O)c1occc1[*:1]
CC(C)Cn1ccc2cc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)ccc21 CC(C)[*:1] O=C(Nc1ccc2c(ccn2C[*:1])c1)c1occc1CS(=O)(=O)c1ccccc1
Cc1cc(C)cc(NC(=O)NCCCc2nnc3n2CCCCC3)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCCc1nnc2CCCCCn21)N[*:1]
CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCCc3ccccc32)cc1 CC(C)(C)[*:1] O=C(CCNS(=O)(=O)c1ccc(cc1)[*:1])N[C@H]1CCCc2ccccc21
CC(C)CC(=O)Nc1ccc(NC/C=C/c2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] CC(C)CC(=O)Nc1ccc(cc1)NCC=C[*:1]
CC(C)CC(=O)Nc1ccc(NC/C=C/c2ccc(C#N)cc2)cc1 CC(C)[*:1] N#Cc1ccc(/C=C/CNc2ccc(cc2)NC(=O)C[*:1])cc1
CC(C)CC(=O)Nc1ccc(NC/C=C/c2ccc(C#N)cc2)cc1 CC(C)CC(=O)N[*:1] N#Cc1ccc(/C=C/CNc2ccc(cc2)[*:1])cc1
CC(C)CC(=O)Nc1ccc(NC/C=C/c2ccc(C#N)cc2)cc1 CC(C)C[*:1] N#Cc1ccc(/C=C/CNc2ccc(cc2)NC(=O)[*:1])cc1
CC(=O)Nc1ccc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N[*:1]
CC(=O)Nc1ccc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 CC(=O)N[*:1] Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 c1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)COC(=O)c1c(C)nn(c1C)[*:1]
O=C(NCCc1ccco1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 c1coc(c1)CC[*:1] O=C(N[*:1])c1cc(NC(=O)C2CC2)n(n1)-c1ccccc1
O=C(NCCc1ccco1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 O=C(N[*:1])C1CC1 O=C(NCCc1ccco1)c1cc(n(n1)-c1ccccc1)[*:1]
O=C(NCCc1ccco1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 c1ccc(cc1)[*:1] O=C(NCCc1ccco1)c1cc(NC(=O)C2CC2)n(n1)[*:1]
O=C(NCCc1ccco1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 c1coc(c1)C[*:1] O=C(NC[*:1])c1cc(NC(=O)C2CC2)n(n1)-c1ccccc1
O=C(NCCc1ccco1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 C1CC1[*:1] O=C(NCCc1ccco1)c1cc(NC(=O)[*:1])n(n1)-c1ccccc1
O=C(NCCc1ccco1)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1 c1coc(c1)[*:1] O=C(NCC[*:1])c1cc(NC(=O)C2CC2)n(n1)-c1ccccc1
O=C(NCCCCN1CCOCC1)Nc1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NCCCCN1CCOCC1)Nc1ccc(cc1)[*:1]
O=C(NCCCCN1CCOCC1)Nc1ccc(C(F)(F)F)cc1 C1CN(CCO1)C[*:1] O=C(NCCC[*:1])Nc1ccc(cc1)C(F)(F)F
O=C(NCCCCN1CCOCC1)Nc1ccc(C(F)(F)F)cc1 C1CN(CCO1)CC[*:1] O=C(NCC[*:1])Nc1ccc(cc1)C(F)(F)F
O=C(NCCCCN1CCOCC1)Nc1ccc(C(F)(F)F)cc1 C1CN(CCO1)[*:1] O=C(NCCCC[*:1])Nc1ccc(cc1)C(F)(F)F
Cc1ccsc1CN1CCO[C@H](c2ccsc2)C1 c1cc(cs1)[*:1] Cc1ccsc1CN1CCO[C@H](C1)[*:1]
Cc1ccsc1CN1CCO[C@H](c2ccsc2)C1 Cc1ccsc1[*:1] c1cc(cs1)[C@@H]1CN(CCO1)C[*:1]
COc1ccc(OCCCN2C(=O)C3(OCCCO3)c3cc(C)ccc32)cc1 COc1ccc(cc1)O[*:1] Cc1ccc2c(c1)C1(OCCCO1)C(=O)N2CCC[*:1]
COc1ccc(OCCCN2C(=O)C3(OCCCO3)c3cc(C)ccc32)cc1 COc1ccc(cc1)[*:1] Cc1ccc2c(c1)C1(OCCCO1)C(=O)N2CCCO[*:1]
C[C@@H](Cn1cccn1)NC(=O)N1CCCc2ccccc21 c1cnn(c1)[*:1] C[C@@H](C[*:1])NC(=O)N1CCCc2ccccc21
C[C@@H](Cn1cccn1)NC(=O)N1CCCc2ccccc21 c1cnn(c1)C[*:1] C[C@@H](NC(=O)N1CCCc2ccccc21)[*:1]
COc1ccccc1[C@@H](NC(=O)NNc1cccc(C#N)c1)c1nccn1C N#Cc1cccc(c1)[*:1] COc1ccccc1[C@@H](NC(=O)NN[*:1])c1nccn1C
COc1ccccc1[C@@H](NC(=O)NNc1cccc(C#N)c1)c1nccn1C Cn1ccnc1[*:1] COc1ccccc1[C@@H](NC(=O)NNc1cccc(C#N)c1)[*:1]
COc1ccccc1[C@@H](NC(=O)NNc1cccc(C#N)c1)c1nccn1C COc1ccccc1[*:1] Cn1ccnc1[C@H](NC(=O)NNc1cccc(C#N)c1)[*:1]
COc1c(F)cc(NC(=O)C(=O)NCCCn2ccc3ccccc32)cc1F c1ccc2c(c1)ccn2[*:1] COc1c(F)cc(cc1F)NC(=O)C(=O)NCCC[*:1]
O=C([O-])[C@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)O1 O=C([O-])[*:1] O=C(NC[C@@H]1CC[C@@H](O1)[*:1])[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2
Cc1cccc(N2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 Cc1cccc(c1)[*:1] O=C1S/C(=C/c2ccc(o2)-c2ccc(cc2)[N+](=O)[O-])C(=O)N1[*:1]
Cc1cccc(N2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cccc(c1)N1C(=O)S/C(=C/c2ccc(o2)[*:1])C1=O
Cc1cccc(N2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 O=[N+]([O-])[*:1] Cc1cccc(c1)N1C(=O)S/C(=C/c2ccc(o2)-c2ccc(cc2)[*:1])C1=O
O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(NCCN1CC[NH2+]CC1)C(=O)N[*:1]
CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C[*:1])c(C)c1
CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)[*:1]
CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c(C)c1 c1ccc(cc1)C[*:1] CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)[*:1])c(C)c1
CO[C@]1(C)C[C@@H](N(C)C(=O)NCc2cccc(NC(=O)N(C)C)c2)C1(C)C CN(C)C(=O)N[*:1] CO[C@]1(C)C[C@@H](N(C)C(=O)NCc2cccc(c2)[*:1])C1(C)C
Cc1cccc(OC[C@@H](C)NC(=O)N(C)CCc2ccccn2)c1 Cc1cccc(c1)O[*:1] C[C@H](C[*:1])NC(=O)N(C)CCc1ccccn1
Cc1cccc(OC[C@@H](C)NC(=O)N(C)CCc2ccccn2)c1 c1ccc(CC[*:1])nc1 Cc1cccc(c1)OC[C@@H](C)NC(=O)N(C)[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)N(C)CCc2ccccn2)c1 c1ccc(C[*:1])nc1 Cc1cccc(c1)OC[C@@H](C)NC(=O)N(C)C[*:1]
Cc1cccc(OC[C@@H](C)NC(=O)N(C)CCc2ccccn2)c1 Cc1cccc(c1)[*:1] C[C@H](CO[*:1])NC(=O)N(C)CCc1ccccn1
Cc1cccc(OC[C@@H](C)NC(=O)N(C)CCc2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)OC[C@@H](C)NC(=O)N(C)CC[*:1]
CNc1ccc([N+](=O)[O-])c(-c2ccc(C(C)(C)C)cc2)n1 CC(C)(C)[*:1] CNc1ccc(c(n1)-c1ccc(cc1)[*:1])[N+](=O)[O-]
CNc1ccc([N+](=O)[O-])c(-c2ccc(C(C)(C)C)cc2)n1 O=[N+]([O-])[*:1] CNc1ccc(c(n1)-c1ccc(cc1)C(C)(C)C)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccc(C#N)cc2)C3)c(C)c1 Cc1ccc(c(C)c1)[*:1] N#Cc1ccc(cc1)C(=O)N1Cc2nn(c(c2C1)-n1cccc1)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccc(C#N)cc2)C3)c(C)c1 N#Cc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)-n1nc2CN(Cc2c1-n1cccc1)C(=O)[*:1]
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccc(C#N)cc2)C3)c(C)c1 c1ccn(c1)[*:1] Cc1ccc(c(C)c1)-n1nc2CN(Cc2c1[*:1])C(=O)c1ccc(C#N)cc1
Cc1cc(NC(=O)CCCCCCl)no1 ClCCC[*:1] Cc1cc(no1)NC(=O)CC[*:1]
Cc1cc(NC(=O)CCCCCCl)no1 ClCC[*:1] Cc1cc(no1)NC(=O)CCC[*:1]
Cc1cc(NC(=O)CCCCCCl)no1 ClCCCC[*:1] Cc1cc(no1)NC(=O)C[*:1]
CCCN(CC1CC1)C(=O)[C@@H](C)[n+]1ccc2c(c1)CCCC2 CCC[*:1] C[C@H](C(=O)N(CC1CC1)[*:1])[n+]1ccc2CCCCc2c1
CCCN(CC1CC1)C(=O)[C@@H](C)[n+]1ccc2c(c1)CCCC2 C1CC1[*:1] CCCN(C[*:1])C(=O)[C@@H](C)[n+]1ccc2CCCCc2c1
CCCN(CC1CC1)C(=O)[C@@H](C)[n+]1ccc2c(c1)CCCC2 C1CC1C[*:1] CCCN(C(=O)[C@@H](C)[n+]1ccc2CCCCc2c1)[*:1]
CCOC(=O)c1ccc(CN2CCO[C@@H](c3ccccc3F)C2)o1 Fc1ccccc1[*:1] CCOC(=O)c1ccc(CN2CCO[C@@H](C2)[*:1])o1
CCOC(=O)c1ccc(CN2CCO[C@@H](c3ccccc3F)C2)o1 CCOC(=O)[*:1] Fc1ccccc1[C@H]1CN(CCO1)Cc1ccc(o1)[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)CSCC(F)(F)F)C1 FC(F)(F)CS[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)C[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)CSCC(F)(F)F)C1 FC(F)(F)C[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)CS[*:1]
C[C@H]1CCC[C@@H](N(C)C(=O)CSCC(F)(F)F)C1 FC(F)(F)[*:1] C[C@H]1CCC[C@H](C1)N(C)C(=O)CSC[*:1]
C#CCOC[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 C#CC[*:1] O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](CO[*:1])C1
C#CCOC[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 C#CCOC[*:1] O=C(c1ccc(F)c(F)c1)N1CCC[C@H](C1)[*:1]
C#CCOC[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 C#CCO[*:1] O=C(c1ccc(F)c(F)c1)N1CCC[C@H](C1)C[*:1]
CN(CC(=O)Nc1cccc2ccccc12)C(=O)COc1ccc(C#N)cc1 N#Cc1ccc(cc1)O[*:1] CN(CC(=O)Nc1cccc2ccccc12)C(=O)C[*:1]
CN(CC(=O)Nc1cccc2ccccc12)C(=O)COc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] CN(CC(=O)Nc1cccc2ccccc12)C(=O)CO[*:1]
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H](C)Cn1ccnc1 CC(C)(C)[*:1] Cc1nc([nH]c(=O)c1C(=O)N[C@H](C)Cn1ccnc1)[*:1]
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H](C)Cn1ccnc1 c1cn(cn1)[*:1] Cc1nc([nH]c(=O)c1C(=O)N[C@H](C)C[*:1])C(C)(C)C
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H](C)Cn1ccnc1 c1cn(cn1)C[*:1] Cc1nc([nH]c(=O)c1C(=O)N[C@H](C)[*:1])C(C)(C)C
C=CCNC(=O)NCC1CCN(C(=O)Cc2cccs2)CC1 C=CC[*:1] O=C(NCC1CCN(CC1)C(=O)Cc1cccs1)N[*:1]
C=CCNC(=O)NCC1CCN(C(=O)Cc2cccs2)CC1 c1csc(c1)[*:1] C=CCNC(=O)NCC1CCN(CC1)C(=O)C[*:1]
C=CCNC(=O)NCC1CCN(C(=O)Cc2cccs2)CC1 C=CCNC(=O)N[*:1] O=C(Cc1cccs1)N1CCC(CC1)C[*:1]
C=CCNC(=O)NCC1CCN(C(=O)Cc2cccs2)CC1 c1csc(c1)C[*:1] C=CCNC(=O)NCC1CCN(CC1)C(=O)[*:1]
C[C@H]1CN(C(=O)NCc2ccc(OCc3cccnc3)cc2)C[C@H](C)O1 c1cncc(c1)C[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)NCc1ccc(cc1)O[*:1]
C[C@H]1CN(C(=O)NCc2ccc(OCc3cccnc3)cc2)C[C@H](C)O1 c1cncc(c1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)NCc1ccc(cc1)OC[*:1]
C[C@H]1CN(C(=O)NCc2ccc(OCc3cccnc3)cc2)C[C@H](C)O1 c1cncc(c1)CO[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)NCc1ccc(cc1)[*:1]
Cc1cn2c(CN(C)C(=O)C3(c4cccc(F)c4)CC3)c(C)nc2s1 Fc1cccc(c1)[*:1] Cc1cn2c(CN(C)C(=O)C3(CC3)[*:1])c(C)nc2s1
COc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)[C@H]1NC(=O)NC(=C1C(=O)c1ccccc1)[*:1]
COc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)[C@H]1NC(=O)NC(=C1C(=O)[*:1])c1ccccc1
COc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1Cl O=C(c1ccccc1)[*:1] COc1ccc(cc1Cl)[C@H]1NC(=O)NC(=C1[*:1])c1ccccc1
COc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc1Cl COc1ccc(cc1Cl)[*:1] O=C1NC(=C(C(=O)c2ccccc2)[C@H](N1)[*:1])c1ccccc1
COCc1cc(C(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)no1 COCc1cc(no1)[*:1] Cc1cccc(c1)NC(=O)N1CCN(CC1)C(=O)[*:1]
COCc1cc(C(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)no1 Cc1cccc(c1)[*:1] COCc1cc(no1)C(=O)N1CCN(CC1)C(=O)N[*:1]
COCc1cc(C(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)no1 COC[*:1] Cc1cccc(c1)NC(=O)N1CCN(CC1)C(=O)c1cc(on1)[*:1]
COc1cccc(N2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)c1 CC(=O)[*:1] COc1cccc(c1)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
COc1cccc(N2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)c1 COc1cccc(c1)[*:1] CC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)[*:1]
COc1cccc(N2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)N1CCN(CC1)c1ccc(cc1[*:1])C(C)=O
O=C(c1ccccn1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 FC(F)(F)[*:1] O=C(c1ccccn1)N1CCC[C@H](C1)c1nc(cc(n1)[*:1])-c1cccs1
O=C(c1ccccn1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 c1csc(c1)[*:1] O=C(c1ccccn1)N1CCC[C@H](C1)c1nc(cc(n1)[*:1])C(F)(F)F
O=C(c1ccccn1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 c1ccc(nc1)[*:1] O=C(N1CCC[C@H](C1)c1nc(cc(n1)C(F)(F)F)-c1cccs1)[*:1]
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(-c4ccccc4)nc4ccccc4n23)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)c2c(n3c4ccccc4nc(-c4ccccc4)c3c2n(C)c1=O)[*:1]
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(-c4ccccc4)nc4ccccc4n23)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1c2c(=O)n(C)c(=O)n(C)c2c2c(nc3ccccc3n12)[*:1]
Cc1ccc(OCC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)c(C)c1 O=C(N1CCOCC1)[*:1] Cc1ccc(OCC(=O)N[C@H](C(C)C)[*:1])c(C)c1
Cc1ccc(OCC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)[C@H](NC(=O)CO[*:1])C(=O)N1CCOCC1
Cc1ccc(OCC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)c(C)c1 CC(C)[*:1] Cc1ccc(OCC(=O)N[C@H](C(=O)N2CCOCC2)[*:1])c(C)c1
O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(F)nc1 Fc1ccc(cn1)[*:1] O=C1c2ccccc2C(=O)N1c1ccc(cc1)NC(=O)[*:1]
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CCn1ccccc1=O Clc1cccc(c1)[*:1] C[C@@H](N(C)C(=O)CCn1ccccc1=O)[*:1]
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CCn1ccccc1=O O=c1ccccn1[*:1] C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CC[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(CC[*:1])[C@@H]1c1ccc(F)cc1
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)s1 c1ccc(cc1)C[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@@H]1c1ccc(F)cc1
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)s1 c1ccc(cc1)CC[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N([C@@H]1c1ccc(F)cc1)[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(CCc2ccccc2)[C@H]1[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)s1 Cc1nc(C)c(s1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2ccc(F)cc2)N1CCc1ccccc1
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)s1 Cc1nc(C)c(s1)C(=O)[*:1] O=C1C([O-])=C([C@@H](c2ccc(F)cc2)N1CCc1ccccc1)[*:1]
CCCc1nc(C(=O)N2C[C@H](C)OC[C@H]2C)n[nH]1 CCC[*:1] C[C@H]1CN(C(=O)c2n[nH]c(n2)[*:1])[C@H](C)CO1
C[NH2+][C@](C)(C(=O)[O-])c1cccc(Cl)c1 O=C([O-])[*:1] C[NH2+][C@](C)(c1cccc(Cl)c1)[*:1]
COc1ccc(COn2c([O-])c(-c3ccccc3)[n+](=O)c3ccccc32)cc1OC COc1ccc(cc1OC)[*:1] O=[n+]1c(-c2ccccc2)c([O-])n(OC[*:1])c2ccccc21
COc1ccc(COn2c([O-])c(-c3ccccc3)[n+](=O)c3ccccc32)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)COn1c([O-])c([n+](=O)c2ccccc21)[*:1]
Cc1cccc2sc(NC(=O)C=CC(=O)[O-])nc12 O=C([O-])[*:1] Cc1cccc2sc(nc12)NC(=O)C=C[*:1]
Cc1cccc2sc(NC(=O)C=CC(=O)[O-])nc12 O=C([O-])C=C[*:1] Cc1cccc2sc(nc12)NC(=O)[*:1]
C[NH+]1CCN(CCNC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)CC1 c1ccc(cc1)[*:1] C[NH+]1CCN(CCNC(=O)C2CCN(CC2)C(=O)c2cnn(c2-n2cccc2)[*:1])CC1
C[NH+]1CCN(CCNC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)CC1 c1ccn(c1)[*:1] C[NH+]1CCN(CCNC(=O)C2CCN(CC2)C(=O)c2cnn(-c3ccccc3)c2[*:1])CC1
CC(C)Cn1ncc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c1C(F)F c1cc(cs1)C[*:1] CC(C)Cn1ncc(C(=O)N(C)[C@@H](C)[*:1])c1C(F)F
CC(C)Cn1ncc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c1C(F)F c1cc(cs1)[*:1] CC(C)Cn1ncc(C(=O)N(C)[C@@H](C)C[*:1])c1C(F)F
CC(C)Cn1ncc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c1C(F)F CC(C)[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)c1cnn(C[*:1])c1C(F)F
CC(C)Cn1ncc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c1C(F)F FC(F)[*:1] CC(C)Cn1ncc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c1[*:1]
CC(C)Cn1ncc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c1C(F)F C[C@@H](Cc1ccsc1)[*:1] CC(C)Cn1ncc(C(=O)N(C)[*:1])c1C(F)F
CC(C)Cn1ncc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c1C(F)F CC(C)C[*:1] C[C@@H](Cc1ccsc1)N(C)C(=O)c1cnn(c1C(F)F)[*:1]
Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccn(Cc3ccccc3F)n2)o1 Cc1noc(C)c1C[*:1] O=C(Nc1ccn(Cc2ccccc2F)n1)c1ccc(o1)[*:1]
Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccn(Cc3ccccc3F)n2)o1 Fc1ccccc1C[*:1] Cc1noc(C)c1Cc1ccc(o1)C(=O)Nc1ccn(n1)[*:1]
Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccn(Cc3ccccc3F)n2)o1 Fc1ccccc1[*:1] Cc1noc(C)c1Cc1ccc(o1)C(=O)Nc1ccn(C[*:1])n1
Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccn(Cc3ccccc3F)n2)o1 Cc1noc(C)c1[*:1] O=C(Nc1ccn(Cc2ccccc2F)n1)c1ccc(C[*:1])o1
O=C(CCc1c[nH]c2ccccc12)NCCc1nnc(-c2ccccc2)o1 c1ccc(cc1)[*:1] O=C(CCc1c[nH]c2ccccc12)NCCc1nnc(o1)[*:1]
O=C(CCc1c[nH]c2ccccc12)NCCc1nnc(-c2ccccc2)o1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CC[*:1])NCCc1nnc(o1)-c1ccccc1
CC[C@H](C)[C@@H](C[NH2+]C(C)C)c1ccc(OC)cc1 CC(C)[*:1] CC[C@H](C)[C@@H](C[NH2+][*:1])c1ccc(cc1)OC
CC[C@H](C)[C@@H](C[NH2+]C(C)C)c1ccc(OC)cc1 CC[C@H](C)[*:1] COc1ccc(cc1)[C@H](C[NH2+]C(C)C)[*:1]
O=C(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCN(c2cccc(Cl)c2)CC1 c1sc(nc1[*:1])C1CC1 O=C(c1ccc(cc1)[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=C(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCN(c2cccc(Cl)c2)CC1 C1CC1[*:1] O=C(c1ccc(cc1)-c1csc(n1)[*:1])N1CCN(CC1)c1cccc(Cl)c1
O=C(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(c1ccc(cc1)-c1csc(n1)C1CC1)N1CCN(CC1)[*:1]
CC[C@H](COC)[NH2+]C[C@H]1Cc2ccccc2S1 COC[*:1] CC[C@H]([NH2+]C[C@H]1Cc2ccccc2S1)[*:1]
Cc1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)n1N c1ccc(cc1)[*:1] Cc1nnc(S[C@@H](C)C(=O)N(C)[*:1])n1N
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)C[C@@H]1N1CCOCC1 C1CN(CCO1)[*:1] C[C@H]1CN(C[C@H]1[*:1])C(=O)[C@@H]1C[C@@H]1c1cccnc1
C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)C[C@@H]1N1CCOCC1 c1cncc(c1)[*:1] C[C@H]1CN(C[C@@H]1N1CCOCC1)C(=O)[C@@H]1C[C@H]1[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1onc(-c2ccccc2)c1C(=O)N1CCN(CC1)S(=O)(=O)[*:1]
CC[C@H](C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C)c1c(C)noc1C Cc1noc(C)c1[*:1] CC[C@H](C(=O)N1C[C@@H](C[C@@H]1C)c1ccc(cc1)OC)[*:1]
CC[C@H](C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C)c1c(C)noc1C COc1ccc(cc1)[*:1] CC[C@H](C(=O)N1C[C@H](C[C@@H]1C)[*:1])c1c(C)noc1C
CCOc1ccc2nc([C@]3(N)CCOC3)sc2c1 CCO[*:1] N[C@]1(CCOC1)c1nc2ccc(cc2s1)[*:1]
CCC[C@@H](NC(=O)N1CCOCC1)C(N)=[NH2+] CCC[*:1] NC(=[NH2+])[C@H](NC(=O)N1CCOCC1)[*:1]
CCC[C@@H](NC(=O)N1CCOCC1)C(N)=[NH2+] NC(=[NH2+])[*:1] CCC[C@@H](NC(=O)N1CCOCC1)[*:1]
C[C@@H]1CCC[C@H](N[C@@H]2C(c3ccc(Cl)cc3)=Nc3c(C#N)cnn32)[C@@H]1C Clc1ccc(cc1)[*:1] C[C@@H]1CCC[C@H](N[C@@H]2C(=Nc3c(C#N)cnn32)[*:1])[C@@H]1C
Cc1ccc(Cc2ccccc2C(=O)N2C[C@@H](C[NH+](C)C)[C@@H](CO)C2)cc1F Cc1ccc(cc1F)C[*:1] C[NH+](C)C[C@@H]1CN(C[C@@H]1CO)C(=O)c1ccccc1[*:1]
Cc1ccc(Cc2ccccc2C(=O)N2C[C@@H](C[NH+](C)C)[C@@H](CO)C2)cc1F Cc1ccc(cc1F)[*:1] C[NH+](C)C[C@@H]1CN(C[C@@H]1CO)C(=O)c1ccccc1C[*:1]
Cc1csc([C@@H](C#N)C(=O)CCOC[C@@H]2CCCO2)n1 Cc1csc(n1)[*:1] N#C[C@@H](C(=O)CCOC[C@@H]1CCCO1)[*:1]
Cc1csc([C@@H](C#N)C(=O)CCOC[C@@H]2CCCO2)n1 C1CO[C@@H](C1)C[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)CCO[*:1]
Cc1csc([C@@H](C#N)C(=O)CCOC[C@@H]2CCCO2)n1 C1CO[C@@H](C1)[*:1] Cc1csc(n1)[C@@H](C#N)C(=O)CCOC[*:1]
CCOc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC2 CCOc1ccccc1[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(cc21)NC(=O)C(=O)N[*:1]
CCOc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC2 CCO[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(cc21)NC(=O)C(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC2 Cc1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)[*:1]
C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc3c(c2)CCN3C(C)=O)c1 CNC(=O)C[*:1] C#Cc1cccc(c1)N(C(=O)c1ccc2c(c1)CCN2C(C)=O)[*:1]
C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc3c(c2)CCN3C(C)=O)c1 C#Cc1cccc(c1)[*:1] CNC(=O)CN(C(=O)c1ccc2c(c1)CCN2C(C)=O)[*:1]
C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc3c(c2)CCN3C(C)=O)c1 CNC(=O)[*:1] C#Cc1cccc(c1)N(C[*:1])C(=O)c1ccc2c(c1)CCN2C(C)=O
N#Cc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1 N#Cc1ccccc1[*:1] O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)[*:1]
N#Cc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1 C1CN(CCO1)[*:1] N#Cc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1[*:1]
CCCS(=O)(=O)N1CCC[C@H](C(=O)N(C)C2CCOCC2)C1 C1CC(CCO1)[*:1] CCCS(=O)(=O)N1CCC[C@@H](C1)C(=O)N(C)[*:1]
CCCS(=O)(=O)N1CCC[C@H](C(=O)N(C)C2CCOCC2)C1 CCC[*:1] CN(C(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1])C1CCOCC1
CCCCc1c(C)nc2nc(SCc3nc(N)nc(N(C)C)n3)nn2c1C CCCC[*:1] Cc1nc2nc(nn2c(C)c1[*:1])SCc1nc(N)nc(n1)N(C)C
CCCCc1c(C)nc2nc(SCc3nc(N)nc(N(C)C)n3)nn2c1C CN(C)[*:1] CCCCc1c(C)nc2nc(nn2c1C)SCc1nc(N)nc(n1)[*:1]
CCCCc1c(C)nc2nc(SCc3nc(N)nc(N(C)C)n3)nn2c1C CCC[*:1] Cc1nc2nc(nn2c(C)c1C[*:1])SCc1nc(N)nc(n1)N(C)C
Cc1ccc([S@@](=O)Cc2ncoc2C(C)C)nc1 CC(C)[*:1] Cc1ccc(nc1)[S@@](=O)Cc1ncoc1[*:1]
CC[C@@H](NC(=O)NCC(=O)Nc1cccc(F)c1)c1cc(F)ccc1F Fc1cccc(c1)[*:1] CC[C@@H](NC(=O)NCC(=O)N[*:1])c1cc(F)ccc1F
CC[C@@H](NC(=O)NCC(=O)Nc1cccc(F)c1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CC[C@@H](NC(=O)NCC(=O)Nc1cccc(F)c1)[*:1]
CCNC(=O)CN1CCN([C@@H](C)c2nc(-c3ccccc3C)no2)CC1 CCNC(=O)[*:1] Cc1ccccc1-c1noc(n1)[C@H](C)N1CCN(CC1)C[*:1]
CCNC(=O)CN1CCN([C@@H](C)c2nc(-c3ccccc3C)no2)CC1 CCNC(=O)C[*:1] Cc1ccccc1-c1noc(n1)[C@H](C)N1CCN(CC1)[*:1]
CCNC(=O)CN1CCN([C@@H](C)c2nc(-c3ccccc3C)no2)CC1 Cc1ccccc1[*:1] CCNC(=O)CN1CCN(CC1)[C@@H](C)c1nc(no1)[*:1]
CC(C)NC(=O)[C@@H]1N[C@@H](C2=CC3=CC=N[C@@H]3C=C2)NO1 CC(C)[*:1] O=C(N[*:1])[C@@H]1N[C@H](NO1)C1C=C[C@H]2N=CC=C2C=1
CC(C)NC(=O)[C@@H]1N[C@@H](C2=CC3=CC=N[C@@H]3C=C2)NO1 CC(C)NC(=O)[*:1] C1=C[C@H]2N=CC=C2C=C1[C@H]1NO[C@@H](N1)[*:1]
Cc1ccc(CN(Cc2ccncc2)Cc2ccc([C@@H]3CCCCO3)o2)s1 Cc1ccc(C[*:1])s1 c1cc(ccn1)CN(Cc1ccc(o1)[C@@H]1CCCCO1)[*:1]
Cc1ccc(CN(Cc2ccncc2)Cc2ccc([C@@H]3CCCCO3)o2)s1 c1cc(ccn1)[*:1] Cc1ccc(CN(Cc2ccc(o2)[C@@H]2CCCCO2)C[*:1])s1
Cc1ccc(CN(Cc2ccncc2)Cc2ccc([C@@H]3CCCCO3)o2)s1 Cc1ccc(s1)[*:1] c1cc(ccn1)CN(Cc1ccc(o1)[C@@H]1CCCCO1)C[*:1]
Cc1ccc(CN(Cc2ccncc2)Cc2ccc([C@@H]3CCCCO3)o2)s1 c1cc(ccn1)C[*:1] Cc1ccc(CN(Cc2ccc(o2)[C@@H]2CCCCO2)[*:1])s1
C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)C[C@@H]1O c1ccn(c1)[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1cnn(-c2ccccc2F)c1[*:1]
C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)C[C@@H]1O Fc1ccccc1[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)c1cnn(c1-n1cccc1)[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2cccc(C#N)c2)c1 c1ccc(cc1)[*:1] CN(S(=O)(=O)c1cccc(c1)C(=O)OCc1cccc(C#N)c1)[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2cccc(C#N)c2)c1 N#Cc1cccc(c1)C[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)O[*:1]
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)OC[*:1]
Cc1ccc(-n2cnnc2SCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1c(Cl)cnc(NC(=O)CSc2nncn2[*:1])c1Cl
Cc1ccc(-n2cnnc2SCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc1Cl Cc1c(Cl)cnc(c1Cl)[*:1] Cc1ccc(cc1Cl)-n1cnnc1SCC(=O)N[*:1]
CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(NC(=O)C(C)C)c4)s3)CC2=O)cc1 CC(C)[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)c2cccc(c2)NC(=O)[*:1])s1
CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(NC(=O)C(C)C)c4)s3)CC2=O)cc1 CC(C)C(=O)N[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)c1nnc(NC(=O)c2cccc(c2)[*:1])s1
CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(NC(=O)C(C)C)c4)s3)CC2=O)cc1 CCc1ccc(cc1)[*:1] CC(C)C(=O)Nc1cccc(c1)C(=O)Nc1nnc(s1)[C@H]1CC(=O)N(C1)[*:1]
C[NH+](C)CC/N=C/C1C(=O)N=C(S)N(CCc2ccccc2)C1=O c1ccc(cc1)[*:1] C[NH+](C)CC/N=C/C1C(=O)N=C(S)N(CC[*:1])C1=O
C[NH+](C)CC/N=C/C1C(=O)N=C(S)N(CCc2ccccc2)C1=O c1ccc(cc1)CC[*:1] C[NH+](C)CC/N=C/C1C(=O)N=C(S)N(C1=O)[*:1]
C[NH+](C)CC/N=C/C1C(=O)N=C(S)N(CCc2ccccc2)C1=O c1ccc(cc1)C[*:1] C[NH+](C)CC/N=C/C1C(=O)N=C(S)N(C[*:1])C1=O
Cc1nc(/C=C/C(=O)NCc2nnc3n2CCCCC3)cs1 Cc1nc(cs1)[*:1] O=C(C=C[*:1])NCc1nnc2CCCCCn21
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 Brc1ccccc1[*:1] COc1nccnc1[N-]S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
NC(=O)[C@]1([NH3+])CC[C@H](Sc2cccc(Br)c2)C1 NC(=O)[*:1] [NH3+][C@@]1(CC[C@@H](C1)Sc1cccc(Br)c1)[*:1]
CCOc1ccccc1Nc1nc2ccc(OC)cc2s1 CCO[*:1] COc1ccc2nc(Nc3ccccc3[*:1])sc2c1
Fc1cccc2c(-n3ccnc3)ncnc12 c1cn(cn1)[*:1] Fc1cccc2c(ncnc12)[*:1]
CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[*:1]
CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 CC[C@H](C)[*:1] O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1)[*:1]
Cc1cccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4C)nn3c2C)c1 Cc1cccc(c1)[*:1] Cc1ccccc1-c1nc2nc(C)c(CC(=O)N[*:1])c(C)n2n1
Cc1cccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4C)nn3c2C)c1 Cc1ccccc1[*:1] Cc1cccc(c1)NC(=O)Cc1c(C)nc2nc(nn2c1C)[*:1]
CC[C@H](C)NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 CS(=O)(=O)N[*:1] CC[C@H](C)NC(=O)c1ccc(c(C)c1)[*:1]
CC[C@H](C)NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 CC[C@H](C)[*:1] Cc1cc(ccc1NS(C)(=O)=O)C(=O)N[*:1]
CCn1c(=O)[nH]c2cc(C(=O)N(CCC#N)CCOC)ccc2c1=O N#CC[*:1] CCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N(CCOC)C[*:1]
CCn1c(=O)[nH]c2cc(C(=O)N(CCC#N)CCOC)ccc2c1=O N#CCC[*:1] CCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N(CCOC)[*:1]
CCn1c(=O)[nH]c2cc(C(=O)N(CCC#N)CCOC)ccc2c1=O COC[*:1] CCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N(CCC#N)C[*:1]
CCn1c(=O)[nH]c2cc(C(=O)N(CCC#N)CCOC)ccc2c1=O COCC[*:1] CCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N(CCC#N)[*:1]
O=C(NC1CC1)c1cn(C2CCN(c3noc(C4CC4)n3)CC2)nn1 O=C(NC1CC1)[*:1] c1c(nnn1C1CCN(CC1)c1noc(n1)C1CC1)[*:1]
O=C(NC1CC1)c1cn(C2CCN(c3noc(C4CC4)n3)CC2)nn1 C1CC1[*:1] O=C(N[*:1])c1cn(nn1)C1CCN(CC1)c1noc(n1)C1CC1
O=C(NC1CC1)c1cn(C2CCN(c3noc(C4CC4)n3)CC2)nn1 C1CC1[*:1] O=C(NC1CC1)c1cn(nn1)C1CCN(CC1)c1noc(n1)[*:1]
O=C(NC1CC1)c1cn(C2CCN(c3noc(C4CC4)n3)CC2)nn1 C1CC1c1nc(no1)[*:1] O=C(NC1CC1)c1cn(nn1)C1CCN(CC1)[*:1]
CCNc1cc(C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CCNc1cc(ccc1[*:1])C[NH+]1CCCCCC1
CCNc1cc(C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] CCN[*:1] O=[N+]([O-])c1ccc(cc1[*:1])C[NH+]1CCCCCC1
Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1Cl c1ccc(cc1)[*:1] Cc1nc([nH]c(=O)c1Cc1ccccc1Cl)N1CCN(CC1)[*:1]
Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1Cl Clc1ccccc1C[*:1] Cc1nc([nH]c(=O)c1[*:1])N1CCN(CC1)c1ccccc1
Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1Cl Clc1ccccc1[*:1] Cc1nc([nH]c(=O)c1C[*:1])N1CCN(CC1)c1ccccc1
O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccc(Cl)cc3)c21 Clc1ccc(cc1)[*:1] O=C1Nc2ccccc2Oc2cc(cc(O[*:1])c21)[N+](=O)[O-]
O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccc(Cl)cc3)c21 O=[N+]([O-])[*:1] O=C1Nc2ccccc2Oc2cc(cc(Oc3ccc(Cl)cc3)c21)[*:1]
O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccc(Cl)cc3)c21 Clc1ccc(cc1)O[*:1] O=C1Nc2ccccc2Oc2cc(cc(c21)[*:1])[N+](=O)[O-]
C[C@H]1CN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)C[C@@H](C)S1 Fc1ccc(cc1)[*:1] C[C@H]1CN(C[C@@H](C)S1)C(=O)NCCc1coc(n1)[*:1]
CO[C@@H](CNC(=O)[C@@H](C)CSC)c1ccc(F)cc1 CSC[C@H](C)[*:1] CO[C@@H](CNC(=O)[*:1])c1ccc(F)cc1
CO[C@@H](CNC(=O)[C@@H](C)CSC)c1ccc(F)cc1 CSC[*:1] CO[C@@H](CNC(=O)[C@@H](C)[*:1])c1ccc(F)cc1
CCC[NH2+]Cc1ccn(C[C@H]2CSc3ccccc32)c1 CCC[*:1] c1ccc2c(c1)SC[C@@H]2Cn1ccc(c1)C[NH2+][*:1]
C[C@@H]1CN(C(=O)Cc2ccccn2)CC[C@@]1(O)C1CCOCC1 c1ccc(C[*:1])nc1 C[C@@H]1CN(CC[C@@]1(O)C1CCOCC1)C(=O)[*:1]
C[C@@H]1CN(C(=O)Cc2ccccn2)CC[C@@]1(O)C1CCOCC1 C1CC(CCO1)[*:1] C[C@@H]1CN(CC[C@]1(O)[*:1])C(=O)Cc1ccccn1
C[C@@H]1CN(C(=O)Cc2ccccn2)CC[C@@]1(O)C1CCOCC1 c1ccc(nc1)[*:1] C[C@@H]1CN(CC[C@@]1(O)C1CCOCC1)C(=O)C[*:1]
Cc1noc(C(C)C)c1C(=O)N1CCN(C[C@H](C)O)CC1 CC(C)[*:1] Cc1noc(c1C(=O)N1CCN(CC1)C[C@H](C)O)[*:1]
Cc1noc(C(C)C)c1C(=O)N1CCN(C[C@H](C)O)CC1 C[C@H](O)[*:1] Cc1noc(c1C(=O)N1CCN(CC1)C[*:1])C(C)C
Cc1noc(C(C)C)c1C(=O)N1CCN(C[C@H](C)O)CC1 C[C@H](O)C[*:1] Cc1noc(c1C(=O)N1CCN(CC1)[*:1])C(C)C
CCc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)cc1 CCc1ccc(cc1)[*:1] CC(C)(C)NC(=O)N1CCC(CC1)CNC(=O)C(=O)N[*:1]
CCc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)NC(=O)C(=O)NCC1CCN(CC1)C(=O)N[*:1]
Cc1nn(C)c2nc(N(C)C[C@H]3CCCCO3)sc12 C1CC[C@@H](OC1)[*:1] Cc1nn(C)c2nc(sc12)N(C)C[*:1]
C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccsc1 c1cc(cs1)[*:1] C[C@H](Nc1ncc(cc1Br)[N+](=O)[O-])[*:1]
C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccsc1 O=[N+]([O-])[*:1] C[C@H](Nc1ncc(cc1Br)[*:1])c1ccsc1
CC(C)(C)NC(=O)CNC(=O)NCC(=O)Nc1ccc(Cl)cc1 CC(C)(C)[*:1] O=C(CNC(=O)NCC(=O)N[*:1])Nc1ccc(Cl)cc1
CC(C)(C)NC(=O)CNC(=O)NCC(=O)Nc1ccc(Cl)cc1 CC(C)(C)NC(=O)[*:1] O=C(CNC(=O)NC[*:1])Nc1ccc(Cl)cc1
CC(C)(C)NC(=O)CNC(=O)NCC(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)(C)NC(=O)CNC(=O)NCC(=O)N[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@@H]1CCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC[C@@H]1C[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@@H]1CCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC[C@@H]1CC[*:1]
O=C(c1cnc([C@@H]2CCCO2)s1)N1CCC[C@@H]1CCCc1ccccc1 c1ccc(cc1)[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCC[C@@H]1CCC[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(F)ccc1-n1cccn1 c1cnn(c1)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(F)ccc1[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(F)ccc1-n1cccn1 Cc1noc(C)c1[*:1] C[C@@H](NC(=O)Nc1cc(F)ccc1-n1cccn1)[*:1]
CCn1ccnc(N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)c1=O Clc1ccc(cc1)[*:1] CCn1ccnc(N[C@@H](C)[C@@H](OC)[*:1])c1=O
C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 O=S(=O)(NC1CCCCC1)[*:1] C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
CC/C=C(/C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C c1csc(c1)[*:1] CC/C=C(/C)C(=O)NC[C@@H]([NH+](C)C)[*:1]
CC/C=C(/C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C CCC=C(C)[*:1] C[NH+](C)[C@@H](CNC(=O)[*:1])c1cccs1
Cc1nc(C)c(CCNC(=O)N2Cc3ccccc3N(C)C[C@H]2C)s1 Cc1nc(C)c(s1)[*:1] C[C@@H]1CN(C)c2ccccc2CN1C(=O)NCC[*:1]
Cc1nc(C)c(CCNC(=O)N2Cc3ccccc3N(C)C[C@H]2C)s1 Cc1nc(C)c(C[*:1])s1 C[C@@H]1CN(C)c2ccccc2CN1C(=O)NC[*:1]
Cc1ccc(NC(=O)NNC(=O)CCOc2ccccc2)cc1Cl c1ccc(cc1)OC[*:1] Cc1ccc(cc1Cl)NC(=O)NNC(=O)C[*:1]
Cc1ccc(NC(=O)NNC(=O)CCOc2ccccc2)cc1Cl c1ccc(cc1)O[*:1] Cc1ccc(cc1Cl)NC(=O)NNC(=O)CC[*:1]
Cc1ccc(NC(=O)NNC(=O)CCOc2ccccc2)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)NNC(=O)CCO[*:1]
Cc1ccc(NC(=O)NNC(=O)CCOc2ccccc2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(CCOc1ccccc1)NNC(=O)N[*:1]
COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)c4cnn(C)c4)nc32)cc1 COc1ccc(cc1)[*:1] Cc1nc(nc2c1CC(=O)N2C[*:1])[C@H]1CCCN1C(=O)c1cnn(C)c1
COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)c4cnn(C)c4)nc32)cc1 COc1ccc(cc1)C[*:1] Cc1nc(nc2c1CC(=O)N2[*:1])[C@H]1CCCN1C(=O)c1cnn(C)c1
COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)c4cnn(C)c4)nc32)cc1 Cn1cc(cn1)[*:1] COc1ccc(cc1)CN1C(=O)Cc2c(C)nc(nc21)[C@H]1CCCN1C(=O)[*:1]
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C)[*:1]
Cc1cccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)o2)c1C Oc1ccc(cc1)[*:1] Cc1cccc(NC(=O)CSc2nnc(o2)[*:1])c1C
Cc1cccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)o2)c1C Cc1cccc(c1C)[*:1] O=C(CSc1nnc(o1)-c1ccc(O)cc1)N[*:1]
CC(C)(C)c1nnc(CNc2cccc(Cl)c2-n2cccn2)o1 CC(C)(C)[*:1] Clc1cccc(NCc2nnc(o2)[*:1])c1-n1cccn1
CC(C)(C)c1nnc(CNc2cccc(Cl)c2-n2cccn2)o1 c1cnn(c1)[*:1] CC(C)(C)c1nnc(CNc2cccc(Cl)c2[*:1])o1
CCOCCCNC(=O)C1CCN(C(=O)Nc2cc(F)ccc2C)CC1 CCOCCC[*:1] Cc1ccc(F)cc1NC(=O)N1CCC(CC1)C(=O)N[*:1]
CCOCCCNC(=O)C1CCN(C(=O)Nc2cc(F)ccc2C)CC1 CCOCC[*:1] Cc1ccc(F)cc1NC(=O)N1CCC(CC1)C(=O)NC[*:1]
CCOCCCNC(=O)C1CCN(C(=O)Nc2cc(F)ccc2C)CC1 Cc1ccc(F)cc1[*:1] CCOCCCNC(=O)C1CCN(CC1)C(=O)N[*:1]
CCOCCCNC(=O)C1CCN(C(=O)Nc2cc(F)ccc2C)CC1 CCO[*:1] Cc1ccc(F)cc1NC(=O)N1CCC(CC1)C(=O)NCCC[*:1]
CCOCCCNC(=O)C1CCN(C(=O)Nc2cc(F)ccc2C)CC1 CCOC[*:1] Cc1ccc(F)cc1NC(=O)N1CCC(CC1)C(=O)NCC[*:1]
Cn1cc(CNC(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cn1 Cn1cc(cn1)C[*:1] O=C(NC1(CCOCC1)c1ccc(Cl)cc1)N[*:1]
Cn1cc(CNC(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cn1 Clc1ccc(cc1)[*:1] Cn1cc(cn1)CNC(=O)NC1(CCOCC1)[*:1]
Cn1cc(CNC(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cn1 Cn1cc(cn1)[*:1] O=C(NC[*:1])NC1(CCOCC1)c1ccc(Cl)cc1
O=C1N(c2ccccn2)C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN12 c1ccc(nc1)[*:1] O=C1N2CCN(Cc3cccc(c3)OC(F)(F)F)C[C@@H]2CN1[*:1]
O=C1N(c2ccccn2)C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN12 FC(F)(F)[*:1] O=C1N(C[C@H]2CN(CCN12)Cc1cccc(c1)O[*:1])c1ccccn1
O=C1N(c2ccccn2)C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)CCN12 FC(F)(F)O[*:1] O=C1N(C[C@H]2CN(CCN12)Cc1cccc(c1)[*:1])c1ccccn1
Cc1nc2ccccc2n1CCNC(=O)NCc1cccc(C(N)=O)c1 NC(=O)[*:1] Cc1nc2ccccc2n1CCNC(=O)NCc1cccc(c1)[*:1]
Cc1nc(-n2cccc2)sc1C(=O)N1CCN(CC(=O)c2ccco2)CC1 O=C(C[*:1])c1ccco1 Cc1nc(sc1C(=O)N1CCN(CC1)[*:1])-n1cccc1
Cc1nc(-n2cccc2)sc1C(=O)N1CCN(CC(=O)c2ccco2)CC1 O=C(c1ccco1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)C[*:1])-n1cccc1
Cc1nc(-n2cccc2)sc1C(=O)N1CCN(CC(=O)c2ccco2)CC1 c1coc(c1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)CC(=O)[*:1])-n1cccc1
Cc1nc(-n2cccc2)sc1C(=O)N1CCN(CC(=O)c2ccco2)CC1 c1ccn(c1)[*:1] Cc1nc(sc1C(=O)N1CCN(CC1)CC(=O)c1ccco1)[*:1]
CC(C)[C@H](CO)NC(=O)c1ccc(-c2nnco2)cc1 c1nnc(o1)[*:1] CC(C)[C@H](CO)NC(=O)c1ccc(cc1)[*:1]
CC(C)[C@H](CO)NC(=O)c1ccc(-c2nnco2)cc1 CC(C)[*:1] O=C(N[C@@H](CO)[*:1])c1ccc(cc1)-c1nnco1
CC(C)[C@H](CO)NC(=O)c1ccc(-c2nnco2)cc1 CC(C)[C@H](CO)[*:1] O=C(N[*:1])c1ccc(cc1)-c1nnco1
CC(C)c1nc(CN(C)C(=O)CCc2nc(-c3ccccc3F)no2)cs1 CC(C)c1nc(cs1)[*:1] CN(C[*:1])C(=O)CCc1nc(no1)-c1ccccc1F
CC(C)c1nc(CN(C)C(=O)CCc2nc(-c3ccccc3F)no2)cs1 Fc1ccccc1[*:1] CC(C)c1nc(cs1)CN(C)C(=O)CCc1nc(no1)[*:1]
CC(C)c1nc(CN(C)C(=O)CCc2nc(-c3ccccc3F)no2)cs1 CC(C)[*:1] CN(Cc1csc(n1)[*:1])C(=O)CCc1nc(no1)-c1ccccc1F
CC(C)c1nc(CN(C)C(=O)CCc2nc(-c3ccccc3F)no2)cs1 CC(C)c1nc(cs1)C[*:1] CN(C(=O)CCc1nc(no1)-c1ccccc1F)[*:1]
Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3cnc(C)o3)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1ncc(o1)-c1ccc(cc1)S(=O)(=O)N(C)[*:1]
Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3cnc(C)o3)cc2)cc1 Cc1ncc(o1)[*:1] Cc1ccc(cc1)N(C)S(=O)(=O)c1ccc(cc1)[*:1]
O=C1C[C@H](CC(=O)N2CCOC[C@@H]2C2CC2)CO1 C1CC1[*:1] O=C1C[C@@H](CO1)CC(=O)N1CCOC[C@H]1[*:1]
O=C1C[C@H](CC(=O)N2CCOC[C@@H]2C2CC2)CO1 O=C1C[C@H](CO1)[*:1] O=C(C[*:1])N1CCOC[C@@H]1C1CC1
CSc1ccc(/C=C/C(=O)Nc2nc(CC(N)=O)cs2)cc1 NC(=O)[*:1] CSc1ccc(/C=C/C(=O)Nc2nc(cs2)C[*:1])cc1
CSc1ccc(/C=C/C(=O)Nc2nc(CC(N)=O)cs2)cc1 NC(=O)C[*:1] CSc1ccc(/C=C/C(=O)Nc2nc(cs2)[*:1])cc1
Cc1oc(-c2ccco2)nc1CC(=O)NC[C@H](C)Oc1ccccc1 c1coc(c1)[*:1] Cc1oc(nc1CC(=O)NC[C@H](C)Oc1ccccc1)[*:1]
Cc1oc(-c2ccco2)nc1CC(=O)NC[C@H](C)Oc1ccccc1 c1ccc(cc1)O[*:1] Cc1oc(nc1CC(=O)NC[C@H](C)[*:1])-c1ccco1
Cc1oc(-c2ccco2)nc1CC(=O)NC[C@H](C)Oc1ccccc1 c1ccc(cc1)[*:1] Cc1oc(nc1CC(=O)NC[C@H](C)O[*:1])-c1ccco1
O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(-c2ccco2)nc2ccccc12 Fc1ccc(cc1)[*:1] O=C(Nc1nc(cs1)[*:1])c1cc(nc2ccccc12)-c1ccco1
O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(-c2ccco2)nc2ccccc12 c1coc(c1)[*:1] O=C(Nc1nc(cs1)-c1ccc(F)cc1)c1cc(nc2ccccc12)[*:1]
C[C@@H](NC(=O)N[C@H](c1nccs1)C1CC1)c1nnc2ccccn12 C1CC1[*:1] C[C@@H](NC(=O)N[C@H](c1nccs1)[*:1])c1nnc2ccccn12
C[C@@H](NC(=O)N[C@H](c1nccs1)C1CC1)c1nnc2ccccn12 c1csc(n1)[*:1] C[C@@H](NC(=O)N[C@H](C1CC1)[*:1])c1nnc2ccccn12
CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1C CC(=O)O[*:1] Cc1c(ccc2c(=O)c(-c3ccccc3)c(oc12)C(F)(F)F)[*:1]
CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1C FC(F)(F)[*:1] CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(oc2c1C)[*:1]
CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1C c1ccc(cc1)[*:1] CC(=O)Oc1ccc2c(=O)c(c(oc2c1C)C(F)(F)F)[*:1]
O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)c1cccnc1 C1CC(CCO1)[*:1] O=C(Nc1ccc(cc1)C(=O)N[*:1])c1cccnc1
O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)c1cccnc1 c1cncc(c1)[*:1] O=C(NC1CCOCC1)c1ccc(cc1)NC(=O)[*:1]
CC(C)c1nc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)n[nH]1 CC(C)[*:1] C[C@@H]([NH3+])[C@@H]1CCCN(C1)C(=O)c1n[nH]c(n1)[*:1]
O=C(/C=C/SCc1ccco1)Nc1cccc(F)c1F c1coc(c1)C[*:1] O=C(/C=C/S[*:1])Nc1cccc(F)c1F
O=C(/C=C/SCc1ccco1)Nc1cccc(F)c1F c1coc(c1)[*:1] O=C(/C=C/SC[*:1])Nc1cccc(F)c1F
Cc1ccc(-n2nc(C)c(CC(=O)Oc3ccc(C(N)=O)cc3)c2C)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1nn(c(C)c1CC(=O)Oc1ccc(cc1)C(N)=O)[*:1]
Cc1ccc(-n2nc(C)c(CC(=O)Oc3ccc(C(N)=O)cc3)c2C)cc1Cl NC(=O)[*:1] Cc1ccc(cc1Cl)-n1nc(C)c(CC(=O)Oc2ccc(cc2)[*:1])c1C
Cc1ccc(-n2nc(C)c(CC(=O)Oc3ccc(C(N)=O)cc3)c2C)cc1Cl NC(=O)c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)-n1nc(C)c(CC(=O)O[*:1])c1C
Cn1c2ccccc2c2nnc(N/N=C/c3ccc(C(C)(C)C)cc3)nc21 CC(C)(C)[*:1] Cn1c2ccccc2c2nnc(nc21)N/N=C/c1ccc(cc1)[*:1]
Cc1nc(-c2cccc(C(=O)NCCNC(=O)c3ccco3)c2)cs1 O=C(N[*:1])c1ccco1 Cc1nc(cs1)-c1cccc(c1)C(=O)NCC[*:1]
Cc1nc(-c2cccc(C(=O)NCCNC(=O)c3ccco3)c2)cs1 c1coc(c1)[*:1] Cc1nc(cs1)-c1cccc(c1)C(=O)NCCNC(=O)[*:1]
Cc1nc(-c2cccc(C(=O)NCCNC(=O)c3ccco3)c2)cs1 Cc1nc(cs1)[*:1] O=C(NCCNC(=O)c1ccco1)c1cccc(c1)[*:1]
C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O Brc1ccccc1[*:1] C[C@@]1(NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O)[*:1]
C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O C1CCCC(CCC1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccc1Br
N#Cc1cccc(OCCOc2ccc(C=O)cc2[N+](=O)[O-])c1 O=[N+]([O-])[*:1] N#Cc1cccc(c1)OCCOc1ccc(C=O)cc1[*:1]
C=Cc1ccc(CN2C(=O)N(c3ccc(CC)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 C=Cc1ccc(cc1)[*:1] CCc1ccc(cc1)N1C(=O)N(C[*:1])[C@@H]2CS(=O)(=O)C[C@H]21
C=Cc1ccc(CN2C(=O)N(c3ccc(CC)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 C=Cc1ccc(cc1)C[*:1] CCc1ccc(cc1)N1C(=O)N([C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
C=Cc1ccc(CN2C(=O)N(c3ccc(CC)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 CCc1ccc(cc1)[*:1] C=Cc1ccc(cc1)CN1C(=O)N([C@@H]2CS(=O)(=O)C[C@H]21)[*:1]
O=C(c1cc(Cl)c2ccccc2c1O)N1CCC(n2cncn2)CC1 c1ncn(n1)[*:1] O=C(c1cc(Cl)c2ccccc2c1O)N1CCC(CC1)[*:1]
COC(=O)CCNC(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 Fc1cc(Cl)c(cc1F)[*:1] COC(=O)CCNC(=O)c1ccc(cc1)NC(=O)[*:1]
COC(=O)CCNC(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 COC(=O)[*:1] O=C(NCC[*:1])c1ccc(cc1)NC(=O)c1cc(F)c(F)cc1Cl
COC(=O)CCNC(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 COC(=O)CCNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cc(F)c(F)cc1Cl
COC(=O)CCNC(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 COC(=O)C[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)c1cc(F)c(F)cc1Cl
COC(=O)CCNC(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 COC(=O)CC[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1cc(F)c(F)cc1Cl
O=S(=O)(Cc1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F c1ccc(cc1)[*:1] O=S(=O)(C[*:1])Nc1c(F)c(F)c(F)c(F)c1F
O=S(=O)(Cc1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F c1ccc(cc1)C[*:1] O=S(=O)(Nc1c(F)c(F)c(F)c(F)c1F)[*:1]
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)CCc1ccco1 c1coc(c1)[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)CC[*:1]
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)CCc1ccco1 c1coc(c1)CC[*:1] C[C@H]1CN(C(=O)[*:1])[C@@H](C)CN1C(=O)OC(C)(C)C
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)CCc1ccco1 c1coc(c1)C[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)C[*:1]
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)CCc1ccco1 CC(C)(C)[*:1] C[C@H]1CN(C(=O)O[*:1])[C@@H](C)CN1C(=O)CCc1ccco1
CC(C)CCNC(=O)[C@@H](C)[S@@](=O)Cc1nc2ccccc2s1 CC(C)CC[*:1] C[C@H](C(=O)N[*:1])[S@@](=O)Cc1nc2ccccc2s1
CC(C)CCNC(=O)[C@@H](C)[S@@](=O)Cc1nc2ccccc2s1 CC(C)C[*:1] C[C@H](C(=O)NC[*:1])[S@@](=O)Cc1nc2ccccc2s1
CC(C)CCNC(=O)[C@@H](C)[S@@](=O)Cc1nc2ccccc2s1 CC(C)[*:1] C[C@H](C(=O)NCC[*:1])[S@@](=O)Cc1nc2ccccc2s1
CCOCCN(C)C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 CCOCC[*:1] C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)N(C)[*:1]
CCOCCN(C)C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 CCO[*:1] C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)N(C)CC[*:1]
CCOCCN(C)C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 c1ccc(cc1)[*:1] CCOCCN(C)C(=O)[C@@H]1CC(=O)N(C1)[C@@H](C)[*:1]
CCOCCN(C)C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 CCOC[*:1] C[C@@H](c1ccccc1)N1C[C@@H](CC1=O)C(=O)N(C)C[*:1]
O=C(N/C(=C/c1cccs1)c1nc2ccccc2[nH]1)c1ccccc1 c1csc(c1)[*:1] O=C(NC(=C[*:1])c1nc2ccccc2[nH]1)c1ccccc1
O=C(N/C(=C/c1cccs1)c1nc2ccccc2[nH]1)c1ccccc1 c1ccc(cc1)[*:1] O=C(N/C(=C/c1cccs1)c1nc2ccccc2[nH]1)[*:1]
Cc1ccnc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)nn12 c1cc2OCOc2cc1[*:1] Cc1ccnc2nc(nn12)C(=O)O[C@@H](C)C(=O)N[*:1]
O=C(c1ccc(Cl)cc1N[C@@H]1CCN(C2CC2)C1=O)N1CCCC1 C1CC1[*:1] O=C(c1ccc(Cl)cc1N[C@@H]1CCN(C1=O)[*:1])N1CCCC1
O=C(c1ccc(Cl)cc1N[C@@H]1CCN(C2CC2)C1=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C1[C@@H](CCN1C1CC1)Nc1cc(Cl)ccc1[*:1]
Cc1cc(N)n(-c2cc(N[C@H](CO)c3ccc(Cl)c(F)c3)ncn2)[nH+]1 Fc1cc(ccc1Cl)[*:1] Cc1cc(N)n([nH+]1)-c1cc(ncn1)N[C@H](CO)[*:1]
C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)NC2CCCC2)C1=O O=C(NC1CCCC1)[*:1] C[C@@]1(NC(=O)N(C[*:1])C1=O)c1cccc(c1)[N+](=O)[O-]
C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)NC2CCCC2)C1=O C1CCC(C1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1cccc(c1)[N+](=O)[O-]
C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)NC2CCCC2)C1=O O=[N+]([O-])[*:1] C[C@@]1(NC(=O)N(CC(=O)NC2CCCC2)C1=O)c1cccc(c1)[*:1]
COc1ccc2c(cnn2CCC(=O)N2CCN(Cc3cccc(C)c3)CC2)c1 Cc1cccc(c1)C[*:1] COc1ccc2c(cnn2CCC(=O)N2CCN(CC2)[*:1])c1
COc1ccc2c(cnn2CCC(=O)N2CCN(Cc3cccc(C)c3)CC2)c1 Cc1cccc(c1)[*:1] COc1ccc2c(cnn2CCC(=O)N2CCN(CC2)C[*:1])c1
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CCc1ccc(/C=C(\C#N)C(=O)N[*:1])cc1
CN(C)c1nc(NCc2ccccc2Cn2cccn2)ncc1F CN(C)[*:1] Fc1cnc(nc1[*:1])NCc1ccccc1Cn1cccn1
CN(C)c1nc(NCc2ccccc2Cn2cccn2)ncc1F c1cnn(c1)[*:1] CN(C)c1nc(ncc1F)NCc1ccccc1C[*:1]
CN(C)c1nc(NCc2ccccc2Cn2cccn2)ncc1F c1cnn(c1)C[*:1] CN(C)c1nc(ncc1F)NCc1ccccc1[*:1]
CCNC(=O)NC1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCC1 CCNC(=O)N[*:1] O=C(N1CCC[C@H](C1)c1[nH]cc[nH+]1)C1(CCCC1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@](C)(O)c1ccsc1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)NC[C@](C)(O)c1ccsc1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@](C)(O)c1ccsc1 c1cc(cs1)[*:1] Cc1ccc(cc1NC(=O)NC[C@](C)(O)[*:1])[N+](=O)[O-]
CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C)N[C@@]21C(=O)Nc2ccc(Cl)cc21 CC[C@@H](C)[*:1] C[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@H]2C(=O)N(C(=O)[C@H]21)[*:1]
C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)c1cccc(-n2cccn2)c1 C(=C[*:1])c1ccccc1 C[C@@H](NS(=O)(=O)[*:1])c1cccc(c1)-n1cccn1
C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)c1cccc(-n2cccn2)c1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)C=C[*:1])c1cccc(c1)-n1cccn1
C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)c1cccc(-n2cccn2)c1 c1cnn(c1)[*:1] C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)c1cccc(c1)[*:1]
CCOC[C@H]([NH3+])CSCC CCS[*:1] CCOC[C@H]([NH3+])C[*:1]
CCOC[C@H]([NH3+])CSCC CCO[*:1] CCSC[C@@H]([NH3+])C[*:1]
COCCN(C)C(=O)Nc1cnn(Cc2ccccc2)c1 COC[*:1] CN(C[*:1])C(=O)Nc1cnn(c1)Cc1ccccc1
COCCN(C)C(=O)Nc1cnn(Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COCCN(C)C(=O)Nc1cnn(c1)[*:1]
COCCN(C)C(=O)Nc1cnn(Cc2ccccc2)c1 COCC[*:1] CN(C(=O)Nc1cnn(c1)Cc1ccccc1)[*:1]
COCCN(C)C(=O)Nc1cnn(Cc2ccccc2)c1 c1ccc(cc1)[*:1] COCCN(C)C(=O)Nc1cnn(c1)C[*:1]
COc1cccc(OC)c1C(=O)NCCc1nnc(N)s1 Nc1nnc(C[*:1])s1 COc1cccc(OC)c1C(=O)NC[*:1]
COc1cccc(OC)c1C(=O)NCCc1nnc(N)s1 Nc1nnc(s1)[*:1] COc1cccc(OC)c1C(=O)NCC[*:1]
COc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](OC)C3)CC2=O)cc1 COc1ccc(cc1)[*:1] CO[C@H]1CCCN(C1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CCNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1 CCNC(=O)N[*:1] C[C@H]1CN(Cc2ccccc2[*:1])C[C@@H](C)O1
C[NH2+][C@@]1(CO)CC[C@@H](Sc2cccs2)C1 c1csc(c1)[*:1] C[NH2+][C@@]1(CO)CC[C@H](C1)S[*:1]
O=C(NCc1cc2ccccc2o1)c1scnc1C1CC1 C1CC1[*:1] O=C(NCc1cc2ccccc2o1)c1scnc1[*:1]
CCC[NH2+][C@@H](C)c1c(F)cccc1N1CCCC1 CCC[*:1] C[C@H]([NH2+][*:1])c1c(F)cccc1N1CCCC1
CCC[NH2+][C@@H](C)c1c(F)cccc1N1CCCC1 C1CCN(C1)[*:1] CCC[NH2+][C@@H](C)c1c(F)cccc1[*:1]
CC[C@@H]1C(=O)NCCN1C(=O)c1cccc(-c2csc(C)n2)c1 Cc1nc(cs1)[*:1] CC[C@@H]1C(=O)NCCN1C(=O)c1cccc(c1)[*:1]
CC[C@@H]([NH2+]C)[C@H](C)SCC[NH+](C)C C[NH+](C)C[*:1] CC[C@@H]([NH2+]C)[C@H](C)SC[*:1]
Cc1ccc(CNC(=O)CN2CCN(c3ccc4c(c3)OCCO4)C2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(CN1CCN(C1=O)c1ccc2OCCOc2c1)N[*:1]
Cc1ccc(CNC(=O)CN2CCN(c3ccc4c(c3)OCCO4)C2=O)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCN(C1=O)c1ccc2OCCOc2c1)NC[*:1]
C[C@](O)(CCn1cccn1)c1ccc2c(c1)CN(C(=O)Cc1cccc(C(F)(F)F)c1)CCO2 c1cnn(c1)[*:1] C[C@](O)(CC[*:1])c1ccc2OCCN(Cc2c1)C(=O)Cc1cccc(c1)C(F)(F)F
C[C@](O)(CCn1cccn1)c1ccc2c(c1)CN(C(=O)Cc1cccc(C(F)(F)F)c1)CCO2 c1cnn(c1)C[*:1] C[C@](O)(C[*:1])c1ccc2OCCN(Cc2c1)C(=O)Cc1cccc(c1)C(F)(F)F
C[C@](O)(CCn1cccn1)c1ccc2c(c1)CN(C(=O)Cc1cccc(C(F)(F)F)c1)CCO2 FC(F)(F)c1cccc(c1)C[*:1] C[C@](O)(CCn1cccn1)c1ccc2OCCN(Cc2c1)C(=O)[*:1]
C[C@](O)(CCn1cccn1)c1ccc2c(c1)CN(C(=O)Cc1cccc(C(F)(F)F)c1)CCO2 c1cnn(c1)CC[*:1] C[C@](O)(c1ccc2OCCN(Cc2c1)C(=O)Cc1cccc(c1)C(F)(F)F)[*:1]
C[C@](O)(CCn1cccn1)c1ccc2c(c1)CN(C(=O)Cc1cccc(C(F)(F)F)c1)CCO2 FC(F)(F)c1cccc(c1)[*:1] C[C@](O)(CCn1cccn1)c1ccc2OCCN(Cc2c1)C(=O)C[*:1]
C[C@](O)(CCn1cccn1)c1ccc2c(c1)CN(C(=O)Cc1cccc(C(F)(F)F)c1)CCO2 FC(F)(F)[*:1] C[C@](O)(CCn1cccn1)c1ccc2OCCN(Cc2c1)C(=O)Cc1cccc(c1)[*:1]
O=C(CCCl)Nc1cccc(Oc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 ClCC[*:1] O=C1c2ccc(cc2C(=O)N1C[C@@H]1CCCO1)Oc1cccc(c1)NC(=O)[*:1]
O=C(CCCl)Nc1cccc(Oc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 O=C(CCCl)N[*:1] O=C1c2ccc(cc2C(=O)N1C[C@@H]1CCCO1)Oc1cccc(c1)[*:1]
CC[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccccc2-c2nc3ccccc3s2)no1 Cc1cc(no1)[*:1] C[C@H](SCC(=O)Nc1ccccc1-c1nc2ccccc2s1)C(=O)N[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccccc2-c2nc3ccccc3s2)no1 c1ccc2sc(nc2c1)[*:1] Cc1cc(no1)NC(=O)[C@H](C)SCC(=O)Nc1ccccc1[*:1]
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccccc2-c2nc3ccccc3s2)no1 Cc1cc(no1)NC(=O)[*:1] C[C@H](SCC(=O)Nc1ccccc1-c1nc2ccccc2s1)[*:1]
COc1ccccc1N1C(=S)N(CCC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 CC(C)C[*:1] COc1ccccc1N1C(=S)N(C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
COc1ccccc1N1C(=S)N(CCC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 CC(C)[*:1] COc1ccccc1N1C(=S)N(CC[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
COc1ccccc1N1C(=S)N(CCC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 COc1ccccc1[*:1] CC(C)CCN1C(=S)N([C@H]2CS(=O)(=O)C[C@H]21)[*:1]
COc1ccccc1N1C(=S)N(CCC(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 CC(C)CC[*:1] COc1ccccc1N1C(=S)N([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
COC(=O)c1ccc(CSc2ccc(-c3ccncc3)nn2)o1 COC(=O)[*:1] c1cc(ccn1)-c1ccc(nn1)SCc1ccc(o1)[*:1]
COC(=O)c1ccc(CSc2ccc(-c3ccncc3)nn2)o1 c1cc(ccn1)[*:1] COC(=O)c1ccc(CSc2ccc(nn2)[*:1])o1
CCOC(=O)CN(C)C(=O)c1ccc(C)cc1O CCOC(=O)C[*:1] Cc1ccc(C(=O)N(C)[*:1])c(O)c1
CCOC(=O)CN(C)C(=O)c1ccc(C)cc1O CCOC(=O)[*:1] Cc1ccc(C(=O)N(C)C[*:1])c(O)c1
CCOc1ccccc1NC(=O)CNC(=O)c1ccccc1 CCO[*:1] O=C(CNC(=O)c1ccccc1)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)CNC(=O)c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)CNC(=O)[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nc3cc(C)[nH]c3c2=O)cc1 Cc1ccc(cc1)[*:1] Cc1cc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)n(c(=O)c2[nH]1)[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nc3cc(C)[nH]c3c2=O)cc1 FC(F)(F)[*:1] Cc1ccc(cc1)-n1c(nc2cc(C)[nH]c2c1=O)SCC(=O)Nc1ccccc1[*:1]
Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nc3cc(C)[nH]c3c2=O)cc1 FC(F)(F)c1ccccc1[*:1] Cc1ccc(cc1)-n1c(nc2cc(C)[nH]c2c1=O)SCC(=O)N[*:1]
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1nncs1 c1nnc(s1)[*:1] O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N[*:1]
CCc1nnsc1C(=O)Nc1ccnn1Cc1cccc(C)c1 CCc1nnsc1[*:1] Cc1cccc(c1)Cn1nccc1NC(=O)[*:1]
CCc1nnsc1C(=O)Nc1ccnn1Cc1cccc(C)c1 Cc1cccc(c1)[*:1] CCc1nnsc1C(=O)Nc1ccnn1C[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 C[C@H](O)CC(C)(C)[*:1] O=C(NC[*:1])N1CCC[C@@H]1C[NH+]1CCCCC1
C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 C[C@H](O)[*:1] CC(C)(CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C[*:1]
C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 C[C@H](O)C[*:1] CC(C)(CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[*:1]
COC(=O)c1cccc(NC(=O)C[NH+]2CCc3sccc3C2)c1 COC(=O)[*:1] O=C(C[NH+]1CCc2sccc2C1)Nc1cccc(c1)[*:1]
Cc1cncc(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1 Cc1cncc(c1)[*:1] O=C(Nc1ccc(cc1)O[C@H]1CCOC1)[*:1]
Cc1cncc(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1 C1C[C@@H](CO1)O[*:1] Cc1cncc(c1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(C(=O)NCC(=O)N(C)Cc2ccco2)nn1C c1coc(c1)[*:1] Cc1cc(nn1C)C(=O)NCC(=O)N(C)C[*:1]
Cc1cc(C(=O)NCC(=O)N(C)Cc2ccco2)nn1C c1coc(c1)C[*:1] Cc1cc(nn1C)C(=O)NCC(=O)N(C)[*:1]
Cc1cc(C(=O)NCC(=O)N(C)Cc2ccco2)nn1C Cc1cc(nn1C)[*:1] CN(Cc1ccco1)C(=O)CNC(=O)[*:1]
COc1cccc(CC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 Fc1ccccc1[*:1] COc1cccc(c1)CC(=O)N[C@@H]1CCCN(C1=O)[*:1]
COc1cccc(CC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1 COc1cccc(c1)[*:1] O=C(C[*:1])N[C@@H]1CCCN(C1=O)c1ccccc1F
Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C(N)=O)cc1 NC(=O)[*:1] Cc1ccc(cc1)O[C@@H](C)C(=O)Nc1cccc(Cl)c1[*:1]
Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C(N)=O)cc1 Cc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)Nc1cccc(Cl)c1C(N)=O
COC(=O)[C@H](C)Sc1nncn1[C@H](C)C(=O)OC COC(=O)[*:1] COC(=O)[C@@H](C)n1cnnc1S[C@@H](C)[*:1]
COC(=O)[C@H](C)Sc1nncn1[C@H](C)C(=O)OC COC(=O)[C@H](C)[*:1] COC(=O)[C@@H](C)n1cnnc1S[*:1]
COC(=O)[C@H](C)Sc1nncn1[C@H](C)C(=O)OC COC(=O)[C@@H](C)[*:1] COC(=O)[C@H](C)Sc1nncn1[*:1]
COC(=O)[C@H](C)Sc1nncn1[C@H](C)C(=O)OC COC(=O)[*:1] COC(=O)[C@H](C)Sc1nncn1[C@H](C)[*:1]
C=CCNC(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C c1ccc(cc1)[*:1] C=CCNC(=O)Nc1ccc(cc1C)O[C@H](C)[*:1]
C=CCNC(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C C=CC[*:1] Cc1cc(ccc1NC(=O)N[*:1])O[C@H](C)c1ccccc1
C=CCNC(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C C=CCNC(=O)N[*:1] Cc1cc(ccc1[*:1])O[C@H](C)c1ccccc1
O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc[nH]c1=O O=c1[nH]cccc1[*:1] O=C(COc1ccc(cc1)-c1ccccc1)NNC(=O)[*:1]
O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc[nH]c1=O c1ccc(cc1)[*:1] O=C(COc1ccc(cc1)[*:1])NNC(=O)c1ccc[nH]c1=O
CCc1ccc([C@@H](C)NC(=O)CNc2ccc(C(=O)NC)c(Cl)c2)cc1 CNC(=O)[*:1] CCc1ccc(cc1)[C@@H](C)NC(=O)CNc1ccc(c(Cl)c1)[*:1]
CCc1ccc([C@@H](C)NC(=O)CNc2ccc(C(=O)NC)c(Cl)c2)cc1 CCc1ccc(cc1)[*:1] CNC(=O)c1ccc(cc1Cl)NCC(=O)N[C@H](C)[*:1]
Cc1ncc([C@H](C)NCCc2coc(-c3ccc(F)cc3)n2)c(C)n1 Fc1ccc(cc1)[*:1] Cc1ncc(c(C)n1)[C@H](C)NCCc1coc(n1)[*:1]
Cc1ncc([C@H](C)NCCc2coc(-c3ccc(F)cc3)n2)c(C)n1 Cc1ncc(c(C)n1)[*:1] C[C@H](NCCc1coc(n1)-c1ccc(F)cc1)[*:1]
Fc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 Fc1ccc(cc1)CS[*:1] Clc1ccc(cc1)-n1c(nnc1[*:1])-c1ccncc1
Fc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 c1cc(ccn1)[*:1] Fc1ccc(cc1)CSc1nnc(n1-c1ccc(Cl)cc1)[*:1]
Fc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 Fc1ccc(cc1)C[*:1] Clc1ccc(cc1)-n1c(nnc1-c1ccncc1)S[*:1]
Fc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 Fc1ccc(cc1)[*:1] Clc1ccc(cc1)-n1c(nnc1-c1ccncc1)SC[*:1]
Fc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Fc1ccc(cc1)CSc1nnc(-c2ccncc2)n1[*:1]
O=C(c1ccc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1ccc(Cl)c(Cl)c1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Clc1ccc(cc1Cl)[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1F)[*:1]
Cc1nc(NC(=O)[C@@H](C)N2CCN(C(=O)CO)CC2)sc1C Cc1nc(sc1C)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)C(=O)CO
O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1c1cccc(F)c1)c1cccs1 Fc1cccc(c1)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@H]1[*:1])c1cccs1
O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1c1cccc(F)c1)c1cccs1 c1csc(c1)[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1c1cccc(F)c1)[*:1]
FC(F)CNc1cnc([C@H]2CCC[NH2+]2)cn1 FC(F)C[*:1] c1nc(cnc1N[*:1])[C@H]1CCC[NH2+]1
FC(F)CNc1cnc([C@H]2CCC[NH2+]2)cn1 FC(F)CN[*:1] c1nc(cnc1[C@H]1CCC[NH2+]1)[*:1]
FC(F)CNc1cnc([C@H]2CCC[NH2+]2)cn1 FC(F)[*:1] c1nc(cnc1NC[*:1])[C@H]1CCC[NH2+]1
C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1nnc2ccccn12 Clc1c[nH]c(c1)[*:1] C[C@H](NC(=O)[*:1])c1nnc2ccccn12
COc1cccc(F)c1[C@@H](C)NC(=O)NCC(C)C CC(C)C[*:1] COc1cccc(F)c1[C@@H](C)NC(=O)N[*:1]
COc1cccc(F)c1[C@@H](C)NC(=O)NCC(C)C CC(C)[*:1] COc1cccc(F)c1[C@@H](C)NC(=O)NC[*:1]
C[C@H](Cn1cccn1)OC(=O)c1ccn(-c2ccccc2Cl)n1 Clc1ccccc1[*:1] C[C@H](Cn1cccn1)OC(=O)c1ccn(n1)[*:1]
C[C@H](Cn1cccn1)OC(=O)c1ccn(-c2ccccc2Cl)n1 c1cnn(c1)[*:1] C[C@H](C[*:1])OC(=O)c1ccn(n1)-c1ccccc1Cl
C[C@H](Cn1cccn1)OC(=O)c1ccn(-c2ccccc2Cl)n1 c1cnn(c1)C[*:1] C[C@H](OC(=O)c1ccn(n1)-c1ccccc1Cl)[*:1]
Cc1cccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC(C)C)c1 CC(C)[*:1] Cc1cccc(c1)S(=O)(=O)N(CCC(=O)N1CCNCC1)C[*:1]
Cc1cccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC(C)C)c1 O=C(N1CCNCC1)[*:1] Cc1cccc(c1)S(=O)(=O)N(CC[*:1])CC(C)C
Cc1cccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC(C)C)c1 CC(C)C[*:1] Cc1cccc(c1)S(=O)(=O)N(CCC(=O)N1CCNCC1)[*:1]
Cc1cccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC(C)C)c1 Cc1cccc(c1)[*:1] CC(C)CN(CCC(=O)N1CCNCC1)S(=O)(=O)[*:1]
C[NH2+]Cc1cc2ccccc2nc1SC[C@@H](O)CO OC[C@H](O)CS[*:1] C[NH2+]Cc1cc2ccccc2nc1[*:1]
C[NH2+]Cc1cc2ccccc2nc1SC[C@@H](O)CO OC[C@H](O)C[*:1] C[NH2+]Cc1cc2ccccc2nc1S[*:1]
C[NH2+]Cc1cc2ccccc2nc1SC[C@@H](O)CO OC[C@H](O)[*:1] C[NH2+]Cc1cc2ccccc2nc1SC[*:1]
Cc1ccc(C)c(NC(=O)CS[C@H]2N=N[C@@H]([C@@H]([NH3+])CC3=c4ccccc4=[NH+]C3)O2)c1 Cc1ccc(C)c(c1)[*:1] [NH3+][C@@H](CC1C[NH+]=c2ccccc2=1)[C@@H]1N=N[C@@H](O1)SCC(=O)N[*:1]
CS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 CS(=O)(=O)[*:1] N#Cc1cc(ccc1Oc1ccc(cc1)[*:1])[N+](=O)[O-]
CS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 O=[N+]([O-])[*:1] CS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1C#N)[*:1]
CN(C[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2O1)C(=O)OC(C)(C)C CC(C)(C)[*:1] CN(C[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2O1)C(=O)O[*:1]
C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2C[C@@H](OCC)C23CCCC3)c1 C#Cc1cccc(c1)[*:1] CCO[C@@H]1C[C@@H](NC(=O)NCC(=O)N[*:1])C12CCCC2
C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2C[C@@H](OCC)C23CCCC3)c1 CCO[*:1] C#Cc1cccc(c1)NC(=O)CNC(=O)N[C@@H]1C[C@@H](C12CCCC2)[*:1]
CCSc1ccccc1C(=O)Nc1nc(C)c(C(C)=O)s1 CC(=O)[*:1] CCSc1ccccc1C(=O)Nc1nc(C)c(s1)[*:1]
CCSc1ccccc1C(=O)Nc1nc(C)c(C(C)=O)s1 CCS[*:1] CC(=O)c1sc(nc1C)NC(=O)c1ccccc1[*:1]
CC1=CC[C@@H]([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/[C@@H]4C=CC=N4)c(=O)n32)O1 Cc1ccccc1[*:1] CC1=CC[C@H](O1)[C@@H]1C(C(=O)N[*:1])=C(C)N=c2s/c(=C/[C@@H]3C=CC=N3)c(=O)n21
CC1=CC[C@@H]([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/[C@@H]4C=CC=N4)c(=O)n32)O1 Cc1ccccc1NC(=O)[*:1] CC1=CC[C@H](O1)[C@@H]1C(=C(C)N=c2s/c(=C/[C@@H]3C=CC=N3)c(=O)n21)[*:1]
C[C@H](NC(=O)CSc1ccccn1)c1cccc2ccccc12 c1ccc(nc1)S[*:1] C[C@H](NC(=O)C[*:1])c1cccc2ccccc12
C[C@H](NC(=O)CSc1ccccn1)c1cccc2ccccc12 c1ccc(nc1)[*:1] C[C@H](NC(=O)CS[*:1])c1cccc2ccccc12
C[NH+](CCc1ccc2c(Br)ccc(O)c2n1)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCc1ccc2c(Br)ccc(O)c2n1)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N(C)C)nc2)c1 c1ccc(cc1)[*:1] CCN(S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(nc1)N(C)C)[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N(C)C)nc2)c1 CN(C)c1ccc(cn1)[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N[*:1]
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N(C)C)nc2)c1 CN(C)[*:1] CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(nc1)[*:1]
CN(C)NC1=CC(=O)C[C@@H](c2ccccc2)C1 CN(C)N[*:1] O=C1C=C(C[C@@H](C1)c1ccccc1)[*:1]
CCCc1noc(CCCC(=O)N2CCc3cc(F)ccc3C2)n1 CCCc1noc(n1)[*:1] O=C(CCC[*:1])N1CCc2cc(F)ccc2C1
CCCc1noc(CCCC(=O)N2CCc3cc(F)ccc3C2)n1 CCC[*:1] O=C(CCCc1nc(no1)[*:1])N1CCc2cc(F)ccc2C1
COCc1ccc(CN2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2C)o1 Cc1ccccc1[*:1] COCc1ccc(CN2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2[*:1])o1
COCc1ccc(CN2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2C)o1 COCc1ccc(o1)[*:1] Cc1ccccc1[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C[*:1]
COCc1ccc(CN2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2C)o1 COC[*:1] Cc1ccccc1[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1Cc1ccc(o1)[*:1]
COCc1ccc(CN2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccccc2C)o1 COCc1ccc(C[*:1])o1 Cc1ccccc1[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1[*:1]
COc1ccc2c(CC(=O)N3CCN(CC(=O)Nc4cc(C)on4)CC3)coc2c1 Cc1cc(no1)NC(=O)C[*:1] COc1ccc2c(coc2c1)CC(=O)N1CCN(CC1)[*:1]
COc1ccc2c(CC(=O)N3CCN(CC(=O)Nc4cc(C)on4)CC3)coc2c1 Cc1cc(no1)[*:1] COc1ccc2c(coc2c1)CC(=O)N1CCN(CC1)CC(=O)N[*:1]
COc1ccc2c(CC(=O)N3CCN(CC(=O)Nc4cc(C)on4)CC3)coc2c1 Cc1cc(no1)NC(=O)[*:1] COc1ccc2c(coc2c1)CC(=O)N1CCN(CC1)C[*:1]
C[C@@H](CCc1ccccc1F)C(=O)N1[C@@H](C)CCC[C@@H]1C Fc1ccccc1[*:1] C[C@@H](CC[*:1])C(=O)N1[C@@H](C)CCC[C@@H]1C
Cc1c(F)cccc1NCc1ccc(C(=O)[O-])cn1 O=C([O-])[*:1] Cc1c(F)cccc1NCc1ccc(cn1)[*:1]
CC[C@@H](C)N(C)C(=O)N[C@H](C)c1cnn(C)c1 CC[C@@H](C)[*:1] C[C@@H](NC(=O)N(C)[*:1])c1cnn(C)c1
CCS(=O)(=O)c1ccc2oc(COc3cccc[n+]3[O-])nc2c1 CCS(=O)(=O)[*:1] [O-][n+]1ccccc1OCc1nc2cc(ccc2o1)[*:1]
CCS(=O)(=O)c1ccc2oc(COc3cccc[n+]3[O-])nc2c1 [O-][n+]1ccccc1[*:1] CCS(=O)(=O)c1ccc2oc(CO[*:1])nc2c1
CCC[C@@H](C)C(=O)Nc1cccc(C)n1 CCC[C@@H](C)[*:1] Cc1cccc(n1)NC(=O)[*:1]
CCC[C@@H](C)C(=O)Nc1cccc(C)n1 CCC[*:1] Cc1cccc(n1)NC(=O)[C@H](C)[*:1]
CCC(CC)(CCO)CNC(=O)N[C@H]1c2ccccc2C[C@@H]1C OCC[*:1] CCC(CC)(CNC(=O)N[C@H]1c2ccccc2C[C@@H]1C)[*:1]
O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(F)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(C[C@H]1Sc2ccc(cc2NC1=O)C(F)(F)F)Nc1ccc(F)c(c1)[*:1]
O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(F)c([N+](=O)[O-])c1 FC(F)(F)[*:1] O=C(C[C@H]1Sc2ccc(cc2NC1=O)[*:1])Nc1ccc(F)c(c1)[N+](=O)[O-]
CSCc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])o1 O=C([O-])[*:1] CSCc1ccc(o1)C(=O)N1C[C@@H](O)C[C@H]1[*:1]
CSCc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])o1 CSC[*:1] O=C([O-])[C@H]1C[C@H](O)CN1C(=O)c1ccc(o1)[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)C[S@@](=O)Cc1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H]1CCCC[C@@H]1NC(=O)C[S@@](=O)C[*:1]
C[C@H]1CCCC[C@@H]1NC(=O)C[S@@](=O)Cc1cccc(Cl)c1 C[C@H]1CCCC[C@H]1[*:1] O=C(C[S@@](=O)Cc1cccc(Cl)c1)N[*:1]
COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(OC(C)(C)C)cc1 CC(C)(C)O[*:1] COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(cc1)[*:1]
COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(OC(C)(C)C)cc1 CC(C)(C)[*:1] COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(cc1)O[*:1]
COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(OC(C)(C)C)cc1 COC(=O)[*:1] CC(C)(C)Oc1ccc(cc1)NC(=O)N[C@@H]1CCC[C@H]1[*:1]
CC1CC(NC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 C1CC1[*:1] CC1CC(C1)NC(=O)C(=O)Nc1ccc2nc(oc2c1)[*:1]
CC1CC(NC(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 CC1CC(C1)[*:1] O=C(Nc1ccc2nc(oc2c1)C1CC1)C(=O)N[*:1]
NC(=O)[C@H]1COCCN1C[C@@H](O)COCc1ccccc1F NC(=O)[*:1] O[C@@H](COCc1ccccc1F)CN1CCOC[C@@H]1[*:1]
NC(=O)[C@H]1COCCN1C[C@@H](O)COCc1ccccc1F Fc1ccccc1[*:1] NC(=O)[C@H]1COCCN1C[C@@H](O)COC[*:1]
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccccc3Br)cc2C1 Brc1ccccc1[*:1] C[C@@H]1CCc2sc(cc2C1)C(=O)NNC(=O)[*:1]
Cc1cc(NS(=O)(=O)Cc2ccccc2)ccc1[N+](=O)[O-] c1ccc(cc1)C[*:1] Cc1cc(ccc1[N+](=O)[O-])NS(=O)(=O)[*:1]
Cc1cc(NS(=O)(=O)Cc2ccccc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])NS(=O)(=O)Cc1ccccc1
Cc1cc(NS(=O)(=O)Cc2ccccc2)ccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])NS(=O)(=O)C[*:1]
COCC[C@@H](C)C(=O)Oc1ccc(C(=O)N2CCCC2)cc1 COCC[*:1] C[C@@H](C(=O)Oc1ccc(cc1)C(=O)N1CCCC1)[*:1]
COCC[C@@H](C)C(=O)Oc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] COCC[C@@H](C)C(=O)Oc1ccc(cc1)[*:1]
COCC[C@@H](C)C(=O)Oc1ccc(C(=O)N2CCCC2)cc1 COC[*:1] C[C@H](C[*:1])C(=O)Oc1ccc(cc1)C(=O)N1CCCC1
CS(=O)(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 c1ccc(cc1)[*:1] CS(=O)(=O)N1CCN(CC1)c1cnn(c(=O)c1Cl)[*:1]
Cc1cc([C@@H]2CCN(C(=O)OC(C)(C)C)CC2=O)ccc1F CC(C)(C)[*:1] Cc1cc(ccc1F)[C@@H]1CCN(CC1=O)C(=O)O[*:1]
CCN(CC)c1ccc(/C=N/c2ccc(N(C)C(=O)OC)cc2)c(O)c1 CCN(CC)[*:1] COC(=O)N(C)c1ccc(cc1)/N=C/c1ccc(cc1O)[*:1]
CCN(CC)c1ccc(/C=N/c2ccc(N(C)C(=O)OC)cc2)c(O)c1 COC(=O)N(C)[*:1] CCN(CC)c1ccc(/C=N/c2ccc(cc2)[*:1])c(O)c1
CCC[C@H](C)/C([O-])=N/S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCC[C@H](C)/C([O-])=N/S(=O)(=O)Cc1ccc(cc1)[*:1]
CCC[C@H](C)/C([O-])=N/S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 CCC[*:1] C[C@H](/C([O-])=N/S(=O)(=O)Cc1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)C2CC2)c1 Clc1cccc(c1)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)C1CC1
O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)C2CC2)c1 C1CC1[*:1] O=C(Nc1cccc(Cl)c1)c1cccc(c1)NC(=O)[*:1]
O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)C2CC2)c1 O=C(N[*:1])C1CC1 O=C(Nc1cccc(Cl)c1)c1cccc(c1)[*:1]
O=C(CSc1nccn1-c1ccc(Br)cc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nccn1-c1ccc(Br)cc1)[*:1]
O=C(CSc1nccn1-c1ccc(Br)cc1)c1ccccc1 Brc1ccc(cc1)[*:1] O=C(CSc1nccn1[*:1])c1ccccc1
CCCCCC(=O)Nc1cccc(NC(=O)CBr)c1 O=C(CBr)N[*:1] CCCCCC(=O)Nc1cccc(c1)[*:1]
CCCCCC(=O)Nc1cccc(NC(=O)CBr)c1 CCC[*:1] O=C(CBr)Nc1cccc(c1)NC(=O)CC[*:1]
CCCCCC(=O)Nc1cccc(NC(=O)CBr)c1 CCCCC[*:1] O=C(CBr)Nc1cccc(c1)NC(=O)[*:1]
CCCCCC(=O)Nc1cccc(NC(=O)CBr)c1 CCCC[*:1] O=C(CBr)Nc1cccc(c1)NC(=O)C[*:1]
Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)o1 Cc1ccc(o1)[*:1] Cc1nn(C)c2nc(cc(C(=O)N(CC[NH+](C)C)C[*:1])c12)-c1ccccc1
Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)o1 Cc1ccc(C[*:1])o1 Cc1nn(C)c2nc(cc(C(=O)N(CC[NH+](C)C)[*:1])c12)-c1ccccc1
Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)o1 c1ccc(cc1)[*:1] Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(nc3c2c(C)nn3C)[*:1])o1
CCSc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1 CCSc1ccc(cc1)[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)[*:1])c2C(N)=O
CCSc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1 NC(=O)[*:1] CCSc1ccc(cc1)C(=O)Nc1sc2CN(CCc2c1[*:1])C(C)=O
CCSc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1 CCS[*:1] CC(=O)N1CCc2c(C1)sc(NC(=O)c1ccc(cc1)[*:1])c2C(N)=O
Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C1C[C@@H](C)O[C@H](C)C1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN(C)C(=O)C1C[C@@H](C)O[C@H](C)C1)[*:1]
CCCCOc1cccc(NC(=O)NCc2cn3ccsc3n2)c1 CCC[*:1] O=C(NCc1cn2ccsc2n1)Nc1cccc(c1)OC[*:1]
CCCCOc1cccc(NC(=O)NCc2cn3ccsc3n2)c1 c1cn2cc(nc2s1)[*:1] CCCCOc1cccc(c1)NC(=O)NC[*:1]
CCCCOc1cccc(NC(=O)NCc2cn3ccsc3n2)c1 CCCCO[*:1] O=C(NCc1cn2ccsc2n1)Nc1cccc(c1)[*:1]
CCCCOc1cccc(NC(=O)NCc2cn3ccsc3n2)c1 CCCC[*:1] O=C(NCc1cn2ccsc2n1)Nc1cccc(c1)O[*:1]
Cc1ccc([C@](O)(CC(=O)N2CCC[C@H]3CCC[C@@H]32)C(F)(F)F)o1 FC(F)(F)[*:1] Cc1ccc(o1)[C@](O)(CC(=O)N1CCC[C@H]2CCC[C@@H]21)[*:1]
Cc1ccc([C@](O)(CC(=O)N2CCC[C@H]3CCC[C@@H]32)C(F)(F)F)o1 Cc1ccc(o1)[*:1] O=C(C[C@@](O)(C(F)(F)F)[*:1])N1CCC[C@H]2CCC[C@@H]21
Cc1cc(CN2CCN(C(=O)C[C@@H](O)c3ccc(Cl)cc3)CC2)no1 Cc1cc(no1)[*:1] O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
Cc1cc(CN2CCN(C(=O)C[C@@H](O)c3ccc(Cl)cc3)CC2)no1 Clc1ccc(cc1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)C[C@@H](O)[*:1])no1
Cc1cc(CN2CCN(C(=O)C[C@@H](O)c3ccc(Cl)cc3)CC2)no1 Cc1cc(C[*:1])no1 O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccccn1 c1ccc(nc1)[*:1] C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)Cc1csc(-c2cccs2)n1 c1csc(c1)[*:1] CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)Cc1csc(n1)[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)Cc1csc(-c2cccs2)n1 CC(C)(C)OC(=O)N[*:1] O=C(Cc1csc(n1)-c1cccs1)N1CCCC[C@@H]1C[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)Cc1csc(-c2cccs2)n1 CC(C)(C)[*:1] O=C(NC[C@H]1CCCCN1C(=O)Cc1csc(n1)-c1cccs1)O[*:1]
CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)Cc1csc(-c2cccs2)n1 CC(C)(C)OC(=O)NC[*:1] O=C(Cc1csc(n1)-c1cccs1)N1CCCC[C@@H]1[*:1]
Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]CCOCCS(C)(=O)=O CS(=O)(=O)CCO[*:1] Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]CC[*:1]
Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]CCOCCS(C)(=O)=O CS(=O)(=O)[*:1] Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]CCOCC[*:1]
Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]CCOCCS(C)(=O)=O CS(=O)(=O)C[*:1] Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]CCOC[*:1]
Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]CCOCCS(C)(=O)=O CS(=O)(=O)CC[*:1] Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]CCO[*:1]
Clc1ccc(OCCOCC[NH+]2CCc3ccccc3C2)c(Cl)c1 Clc1ccc(c(Cl)c1)[*:1] c1ccc2C[NH+](CCOCCO[*:1])CCc2c1
CC(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] CC(C)[*:1] O=C([O-])c1ccc(c(c1)[*:1])[N+](=O)[O-]
CC(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC(C)c1cc(ccc1[*:1])C(=O)[O-]
CC(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] O=C([O-])[*:1] CC(C)c1cc(ccc1[N+](=O)[O-])[*:1]
C=CC[n+]1c(SC(=O)O)sc2ccccc21 C=CC[*:1] O=C(O)Sc1sc2ccccc2[n+]1[*:1]
C=CC[n+]1c(SC(=O)O)sc2ccccc21 O=C(O)S[*:1] C=CC[n+]1c(sc2ccccc21)[*:1]
Nc1ccc(Cl)c(SCc2ncc(-c3ccccc3)o2)c1 c1ccc(cc1)[*:1] Nc1ccc(Cl)c(c1)SCc1ncc(o1)[*:1]
O=C(CCc1cccc(F)c1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 Fc1cccc(c1)C[*:1] O=C(C[*:1])N1CC[C@@H]([C@H](CCCO)C1)N1CCOCC1
O=C(CCc1cccc(F)c1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 C1CN(CCO1)[*:1] O=C(CCc1cccc(F)c1)N1CC[C@H]([C@H](CCCO)C1)[*:1]
O=C(CCc1cccc(F)c1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 OCCC[*:1] O=C(CCc1cccc(F)c1)N1CC[C@@H]([C@H](C1)[*:1])N1CCOCC1
O=C(CCc1cccc(F)c1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 OCC[*:1] O=C(CCc1cccc(F)c1)N1CC[C@@H]([C@@H](C1)C[*:1])N1CCOCC1
O=C(CCc1cccc(F)c1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 Fc1cccc(c1)[*:1] O=C(CC[*:1])N1CC[C@@H]([C@H](CCCO)C1)N1CCOCC1
O=C(CCc1cccc(F)c1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 Fc1cccc(c1)CC[*:1] O=C(N1CC[C@@H]([C@H](CCCO)C1)N1CCOCC1)[*:1]
CCN(CC#N)C(=O)c1c[nH]c2cccc(Br)c12 N#CC[*:1] CCN(C(=O)c1c[nH]c2cccc(Br)c12)[*:1]
CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] CCCc1ccc(cc1)S(=O)(=O)[N-]c1ccc(Cl)cc1[*:1]
CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)N2CCCC2)cc1 CCC[*:1] O=C(c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(cc1)[*:1])N1CCCC1
CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)N2CCCC2)cc1 CCCc1ccc(cc1)[*:1] O=C(c1cc(Cl)ccc1[N-]S(=O)(=O)[*:1])N1CCCC1
Cc1ccc2c([O-])c(C(=O)NCc3csc(N(C)C)n3)cnc2n1 CN(C)[*:1] Cc1ccc2c([O-])c(cnc2n1)C(=O)NCc1csc(n1)[*:1]
Cc1ccc2c([O-])c(C(=O)NCc3csc(N(C)C)n3)cnc2n1 CN(C)c1nc(cs1)[*:1] Cc1ccc2c([O-])c(cnc2n1)C(=O)NC[*:1]
CC(C)(CNC(=O)N1CCCC[C@@H]1CC(=O)[O-])S(C)(=O)=O O=C([O-])[*:1] CC(C)(CNC(=O)N1CCCC[C@@H]1C[*:1])S(C)(=O)=O
CC(C)(CNC(=O)N1CCCC[C@@H]1CC(=O)[O-])S(C)(=O)=O O=C([O-])C[*:1] CC(C)(CNC(=O)N1CCCC[C@H]1[*:1])S(C)(=O)=O
CC(C)(CNC(=O)N1CCCC[C@@H]1CC(=O)[O-])S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] O=C([O-])C[C@H]1CCCCN1C(=O)NC[*:1]
CC(C)(CNC(=O)N1CCCC[C@@H]1CC(=O)[O-])S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNC(=O)N1CCCC[C@@H]1CC(=O)[O-])[*:1]
COc1ncccc1CNC(=O)N1CC[C@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] COc1ncccc1CNC(=O)N1CC[C@](O)(C1)[*:1]
CCc1nc(NC(=O)C[NH+]2CCC(c3nc(C)no3)CC2)sc1C CCc1nc(sc1C)[*:1] Cc1noc(n1)C1CC[NH+](CC1)CC(=O)N[*:1]
CCc1nc(NC(=O)C[NH+]2CCC(c3nc(C)no3)CC2)sc1C Cc1noc(n1)[*:1] CCc1nc(NC(=O)C[NH+]2CCC(CC2)[*:1])sc1C
Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3[nH+]ccn3C)cn2)cc1 Cc1ccc(cc1)O[*:1] CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(nc1)[*:1]
Cc1ccc(Oc2ccc(NC(=O)N(C)Cc3[nH+]ccn3C)cn2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(nc1)O[*:1]
Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)N4CCc5sccc5C4)c3)ccc2o1 Cc1nc2cc(ccc2o1)[*:1] O=C(N[*:1])c1cccc(c1)S(=O)(=O)N1CCc2sccc2C1
CC[NH2+][C@H](C(C)C)[C@H](CC)c1ccc(F)cc1 CC(C)[*:1] CC[NH2+][C@H]([C@H](CC)c1ccc(F)cc1)[*:1]
CC[NH2+][C@H](C)c1cc(F)ccc1OCC(=O)NC(C)(C)C CC(C)(C)[*:1] CC[NH2+][C@H](C)c1cc(F)ccc1OCC(=O)N[*:1]
CC[NH2+][C@H](C)c1cc(F)ccc1OCC(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] CC[NH2+][C@H](C)c1cc(F)ccc1OC[*:1]
CC[C@H](C)NC(=O)CCNc1c(C#N)c(=O)n(C)c(=O)n1C CC[C@H](C)[*:1] Cn1c(NCCC(=O)N[*:1])c(C#N)c(=O)n(C)c1=O
CC[C@H](C)NC(=O)CCNc1c(C#N)c(=O)n(C)c(=O)n1C CC[C@H](C)NC(=O)[*:1] Cn1c(NCC[*:1])c(C#N)c(=O)n(C)c1=O
CCC(=O)Nc1cccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1 CCC(=O)N[*:1] C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(c1)[*:1]
CCC(=O)Nc1cccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1 Fc1ccc(F)c(c1)[*:1] CCC(=O)Nc1cccc(c1)C(=O)N(C)[C@H](C)[*:1]
CN(Cc1[nH+]ccn1C)C(=O)Cc1ccc(OC(F)F)cc1 FC(F)[*:1] CN(Cc1[nH+]ccn1C)C(=O)Cc1ccc(cc1)O[*:1]
CN(Cc1[nH+]ccn1C)C(=O)Cc1ccc(OC(F)F)cc1 FC(F)O[*:1] CN(Cc1[nH+]ccn1C)C(=O)Cc1ccc(cc1)[*:1]
COCc1cc([N+](=O)[O-])ccc1NC[C@H]1Cc2ccccc2O1 COC[*:1] O=[N+]([O-])c1ccc(NC[C@H]2Cc3ccccc3O2)c(c1)[*:1]
COCc1cc([N+](=O)[O-])ccc1NC[C@H]1Cc2ccccc2O1 O=[N+]([O-])[*:1] COCc1cc(ccc1NC[C@H]1Cc2ccccc2O1)[*:1]
O=C(Nc1nccs1)c1cc(-c2ccccc2)cs1 c1csc(n1)[*:1] O=C(N[*:1])c1cc(cs1)-c1ccccc1
O=C(Nc1nccs1)c1cc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C(Nc1nccs1)c1cc(cs1)[*:1]
C[C@@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)n1cccn1 c1cnn(c1)[*:1] C[C@@H](C(=O)N1CCN(CC1)C(=O)c1ccc(Cl)cc1)[*:1]
C[C@@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)n1cccn1 Clc1ccc(cc1)[*:1] C[C@@H](C(=O)N1CCN(CC1)C(=O)[*:1])n1cccn1
Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)C(=O)NCCN1CCN(CC1)C(=O)[*:1]
Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCN1CCN(CC1)C(=O)c1ccc(Cl)cc1)C(=O)N[*:1]
COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2ccnc(N3CCOCC3)c2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H]1c2nc[nH]c2CCN1C(=O)c1ccnc(c1)[*:1]
COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2ccnc(N3CCOCC3)c2)cc1 COc1ccc(cc1)[*:1] O=C(c1ccnc(c1)N1CCOCC1)N1CCc2[nH]cnc2[C@@H]1[*:1]
C[C@]1(C(N)=O)CN(Cc2ccc3[nH]ccc3c2)CCO1 NC(=O)[*:1] C[C@@]1(CN(CCO1)Cc1ccc2[nH]ccc2c1)[*:1]
COc1ccccc1C1(C(=O)N[C@@H](C)Cc2ccco2)CCOCC1 c1coc(c1)[*:1] COc1ccccc1C1(CCOCC1)C(=O)N[C@@H](C)C[*:1]
COc1ccccc1C1(C(=O)N[C@@H](C)Cc2ccco2)CCOCC1 c1coc(c1)C[*:1] COc1ccccc1C1(CCOCC1)C(=O)N[C@@H](C)[*:1]
COc1ccccc1C1(C(=O)N[C@@H](C)Cc2ccco2)CCOCC1 COc1ccccc1[*:1] C[C@@H](Cc1ccco1)NC(=O)C1(CCOCC1)[*:1]
C[C@]([NH2+]Cc1noc(C2CC2)n1)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] C[C@]([NH2+]Cc1noc(n1)C1CC1)(C(F)(F)F)[*:1]
C[C@]([NH2+]Cc1noc(C2CC2)n1)(C(=O)[O-])C(F)(F)F C1CC1[*:1] C[C@]([NH2+]Cc1noc(n1)[*:1])(C(=O)[O-])C(F)(F)F
C[C@]([NH2+]Cc1noc(C2CC2)n1)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] C[C@]([NH2+]Cc1noc(n1)C1CC1)(C(=O)[O-])[*:1]
Cc1ccc([C@H]2COCCN2C(=O)NCC(C)(C)c2ccncc2)o1 Cc1ccc(o1)[*:1] CC(C)(CNC(=O)N1CCOC[C@@H]1[*:1])c1ccncc1
Cc1ccc([C@H]2COCCN2C(=O)NCC(C)(C)c2ccncc2)o1 c1cc(ccn1)[*:1] Cc1ccc(o1)[C@H]1COCCN1C(=O)NCC(C)(C)[*:1]
CCOC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3oc(C)nc3c2)C1 CCO[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N1CC[C@H](C1)C[*:1]
CCOC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3oc(C)nc3c2)C1 CCOC[*:1] Cc1nc2cc(ccc2o1)NC(=O)C(=O)N1CC[C@H](C1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)NCc2ncc(-c3ccccc3)o2)CC1 CCOC(=O)[*:1] CC1(CCN(CC1)C(=O)NCc1ncc(o1)-c1ccccc1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)NCc2ncc(-c3ccccc3)o2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)NCc1ncc(o1)[*:1]
COCCN1C(=O)c2ccccc2Sc2cc(NC(=O)COc3cccc(C)c3)ccc21 COC[*:1] Cc1cccc(c1)OCC(=O)Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C[*:1]
COCCN1C(=O)c2ccccc2Sc2cc(NC(=O)COc3cccc(C)c3)ccc21 COCC[*:1] Cc1cccc(c1)OCC(=O)Nc1ccc2c(c1)Sc1ccccc1C(=O)N2[*:1]
COCCN1C(=O)c2ccccc2Sc2cc(NC(=O)COc3cccc(C)c3)ccc21 Cc1cccc(c1)[*:1] COCCN1C(=O)c2ccccc2Sc2cc(ccc21)NC(=O)CO[*:1]
COCCN1C(=O)c2ccccc2Sc2cc(NC(=O)COc3cccc(C)c3)ccc21 Cc1cccc(c1)O[*:1] COCCN1C(=O)c2ccccc2Sc2cc(ccc21)NC(=O)C[*:1]
COCCN1C(=O)c2ccccc2Sc2cc(NC(=O)COc3cccc(C)c3)ccc21 Cc1cccc(c1)OC[*:1] COCCN1C(=O)c2ccccc2Sc2cc(ccc21)NC(=O)[*:1]
CN(C)C(=O)[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)CCN1 CC(C)(C)[*:1] CN(C)C(=O)[C@@H]1CN(CCN1)Cc1cnn(c1)[*:1]
CN(C)C(=O)[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)CCN1 CN(C)C(=O)[*:1] CC(C)(C)n1cc(cn1)CN1CCN[C@@H](C1)[*:1]
O=C1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCCc3ccccc32)CN1c1ccccc1F Fc1ccccc1[*:1] O=C(Cn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1])N1CCCc2ccccc21
O=c1oc2ccccc2cc1SCc1ccccc1 c1ccc(cc1)[*:1] O=c1oc2ccccc2cc1SC[*:1]
O=C1CC[NH+](Cc2cccnc2)CCN1Cc1c(F)cc(F)cc1F c1cncc(c1)C[*:1] O=C1CC[NH+](CCN1Cc1c(F)cc(F)cc1F)[*:1]
O=C1CC[NH+](Cc2cccnc2)CCN1Cc1c(F)cc(F)cc1F c1cncc(c1)[*:1] O=C1CC[NH+](CCN1Cc1c(F)cc(F)cc1F)C[*:1]
CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 O=[N+]([O-])[*:1] CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(c(Cl)c1)[*:1]
CC(=O)c1c[nH]c(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c1 C1CCN(C1)[*:1] CC(=O)c1c[nH]c(c1)C(=O)N[C@H](C)c1cccc(c1)[*:1]
CC(=O)c1c[nH]c(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c1 CC(=O)[*:1] C[C@@H](NC(=O)c1cc(c[nH]1)[*:1])c1cccc(c1)N1CCCC1
CC(=O)c1c[nH]c(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)c1 CC(=O)c1c[nH]c(c1)[*:1] C[C@@H](NC(=O)[*:1])c1cccc(c1)N1CCCC1
CC[C@H](C)N(Cc1csc(COc2ccccc2)n1)C(C)=O CC[C@H](C)[*:1] CC(=O)N(Cc1csc(COc2ccccc2)n1)[*:1]
CC[C@H](C)N(Cc1csc(COc2ccccc2)n1)C(C)=O c1ccc(cc1)[*:1] CC[C@H](C)N(Cc1csc(CO[*:1])n1)C(C)=O
CC[C@H](C)N(Cc1csc(COc2ccccc2)n1)C(C)=O c1ccc(cc1)O[*:1] CC[C@H](C)N(Cc1csc(C[*:1])n1)C(C)=O
CC(C)(C)c1nnnn1CC(=O)NCc1ccco1 CC(C)(C)[*:1] O=C(Cn1nnnc1[*:1])NCc1ccco1
CC(C)(C)c1nnnn1CC(=O)NCc1ccco1 c1coc(c1)[*:1] CC(C)(C)c1nnnn1CC(=O)NC[*:1]
CC(C)(C)c1nnnn1CC(=O)NCc1ccco1 c1coc(c1)C[*:1] CC(C)(C)c1nnnn1CC(=O)N[*:1]
O=C([O-])/C=C\N1CC[C@@H](O)C1 O=C([O-])[*:1] O[C@@H]1CCN(C=C[*:1])C1
COC[C@H](C)N(C)c1nc(Cl)ncc1Br COC[C@H](C)[*:1] CN(c1nc(Cl)ncc1Br)[*:1]
COC[C@H](C)N(C)c1nc(Cl)ncc1Br COC[*:1] C[C@H](N(C)c1nc(Cl)ncc1Br)[*:1]
Cn1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)NC(=O)Nc1ccc(cc1)O[*:1]
Cn1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 c1ccc(cc1)O[*:1] Cn1cc(cn1)NC(=O)Nc1ccc(cc1)[*:1]
Cn1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 Cn1cc(cn1)[*:1] O=C(Nc1ccc(cc1)Oc1ccccc1)N[*:1]
CCCc1cc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)on1 CCC[*:1] O=C(NCc1cc(no1)[*:1])[C@@H]1Cc2cc(Cl)ccc2O1
Cc1c([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)oc2ccc(F)cc12 C[S@](=O)[*:1] Cc1c(oc2ccc(F)cc12)[C@H](C)[NH2+][C@H](C)c1ccc(cc1)[*:1]
COC(=O)Cc1ccccc1NC(=O)C[C@H]1CCOc2ccccc21 COC(=O)[*:1] O=C(C[C@H]1CCOc2ccccc21)Nc1ccccc1C[*:1]
COC(=O)Cc1ccccc1NC(=O)C[C@H]1CCOc2ccccc21 COC(=O)C[*:1] O=C(C[C@H]1CCOc2ccccc21)Nc1ccccc1[*:1]
CCCc1noc(CNc2cc(Cl)ccc2C(=O)NCC)n1 CCNC(=O)[*:1] CCCc1noc(CNc2cc(Cl)ccc2[*:1])n1
CCCc1noc(CNc2cc(Cl)ccc2C(=O)NCC)n1 CCC[*:1] CCNC(=O)c1ccc(Cl)cc1NCc1nc(no1)[*:1]
COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)C(=O)c1cc(ccc1Cl)[*:1]
Cc1ccccc1[C@@H](NCCc1nnc2n1CCCCC2)C(C)C CC(C)[*:1] Cc1ccccc1[C@@H](NCCc1nnc2CCCCCn21)[*:1]
Cc1ccccc1[C@@H](NCCc1nnc2n1CCCCC2)C(C)C Cc1ccccc1[*:1] CC(C)[C@H](NCCc1nnc2CCCCCn21)[*:1]
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NC1CC1 c1ccc(cc1)[*:1] CC(C)[C@H](NC(=O)NC[*:1])C(=O)NC1CC1
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NC1CC1 C1CC1[*:1] CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N[*:1]
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NC1CC1 O=C(NC1CC1)[*:1] CC(C)[C@H](NC(=O)NCc1ccccc1)[*:1]
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NC1CC1 c1ccc(cc1)C[*:1] CC(C)[C@H](NC(=O)N[*:1])C(=O)NC1CC1
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NC1CC1 CC(C)[*:1] O=C(NCc1ccccc1)N[C@H](C(=O)NC1CC1)[*:1]
Cc1ccc([C@@H]([NH2+]Cc2ccccc2Oc2cnccn2)C2CC2)cc1 c1cnc(cn1)O[*:1] Cc1ccc(cc1)[C@@H]([NH2+]Cc1ccccc1[*:1])C1CC1
Cc1ccc([C@@H]([NH2+]Cc2ccccc2Oc2cnccn2)C2CC2)cc1 c1cnc(cn1)[*:1] Cc1ccc(cc1)[C@@H]([NH2+]Cc1ccccc1O[*:1])C1CC1
Cc1ccc([C@@H]([NH2+]Cc2ccccc2Oc2cnccn2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]([NH2+]Cc1ccccc1Oc1cnccn1)[*:1]
Cc1ccc([C@@H]([NH2+]Cc2ccccc2Oc2cnccn2)C2CC2)cc1 Cc1ccc(cc1)[*:1] c1ccc(Oc2cnccn2)c(c1)C[NH2+][C@@H](C1CC1)[*:1]
COc1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3OC)ccc2=O)c1 COc1cccc(c1)[*:1] COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[*:1])n1
COc1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3OC)ccc2=O)c1 COc1cc(F)ccc1[*:1] COc1cccc(c1)NC(=O)Cn1nc(ccc1=O)[*:1]
Cc1csc(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)n1 CC(C)O[*:1] Cc1csc(n1)NC(=O)N[C@H](C)c1cccc(c1)[*:1]
Cc1csc(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)n1 Cc1csc(n1)[*:1] CC(C)Oc1cccc(c1)[C@@H](C)NC(=O)N[*:1]
Cc1csc(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)n1 CC(C)[*:1] Cc1csc(n1)NC(=O)N[C@H](C)c1cccc(c1)O[*:1]
Cc1ccc([C@H](C[NH2+]C2CCSCC2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@H](C[NH2+]C1CCSCC1)[*:1]
Cc1ccc([C@H](C[NH2+]C2CCSCC2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] C1CN(CCO1)[C@@H](C[NH2+]C1CCSCC1)[*:1]
O=C(c1c[nH]nc1-c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)[*:1] O=C(c1c[nH]nc1-c1ccc2OCCOc2c1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
O=C(c1c[nH]nc1-c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 c1cc2OCCOc2cc1[*:1] O=C(c1c[nH]nc1[*:1])N1CCN(CC1)Cc1ccc(cc1)C(F)(F)F
O=C(c1c[nH]nc1-c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)c1ccc(cc1)C[*:1] O=C(c1c[nH]nc1-c1ccc2OCCOc2c1)N1CCN(CC1)[*:1]
O=C(c1c[nH]nc1-c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 FC(F)(F)c1ccc(cc1)[*:1] O=C(c1c[nH]nc1-c1ccc2OCCOc2c1)N1CCN(CC1)C[*:1]
COc1ccc(COC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cn1 C1CC1c1noc(n1)[*:1] COc1ccc(cn1)COC(=O)c1ccc(cc1)[*:1]
COc1ccc(COC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cn1 COc1ccc(cn1)[*:1] O=C(OC[*:1])c1ccc(cc1)-c1nc(no1)C1CC1
COc1ccc(COC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cn1 C1CC1[*:1] COc1ccc(cn1)COC(=O)c1ccc(cc1)-c1nc(no1)[*:1]
COc1ccc(Nc2ncccc2C(=O)Nc2c(C)cccc2C)cc1 Cc1cccc(C)c1[*:1] COc1ccc(cc1)Nc1ncccc1C(=O)N[*:1]
COc1ccc(Nc2ncccc2C(=O)Nc2c(C)cccc2C)cc1 COc1ccc(cc1)[*:1] Cc1cccc(C)c1NC(=O)c1cccnc1N[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1 CCC[*:1] O=C(NCc1cccc(Cl)c1)[C@@H]1CSCN1C(=O)C[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1 CCCC[*:1] O=C(NCc1cccc(Cl)c1)[C@@H]1CSCN1C(=O)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCCCC(=O)N1CSC[C@H]1C(=O)NC[*:1]
C[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C=C[*:1])c1ccc(Cl)cc1
CCN(CC)c1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-] CCN(CC)[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])[*:1])c1cccc2ccccc12
CCN(CC)c1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCN(CC)c1ncnc(NNC(=O)c2cccc3ccccc23)c1[*:1]
Cc1cscc1C(=O)NCc1ccc(C#N)cc1 Cc1cscc1[*:1] N#Cc1ccc(cc1)CNC(=O)[*:1]
Cn1nnc2c(N3CCN(C(=O)/C=C\c4ccccc4)CC3)ncnc21 C(=C[*:1])c1ccccc1 Cn1nnc2c(ncnc21)N1CCN(CC1)C(=O)[*:1]
Cn1nnc2c(N3CCN(C(=O)/C=C\c4ccccc4)CC3)ncnc21 c1ccc(cc1)[*:1] Cn1nnc2c(ncnc21)N1CCN(CC1)C(=O)C=C[*:1]
CCN(CC)C(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 CCN(CC)C(=O)[*:1] CC(C)(C)NC(=O)COc1ccc(cc1)[*:1]
CCN(CC)C(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 CC(C)(C)[*:1] CCN(CC)C(=O)c1ccc(cc1)OCC(=O)N[*:1]
CCN(CC)C(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 CC(C)(C)NC(=O)[*:1] CCN(CC)C(=O)c1ccc(cc1)OC[*:1]
CC(C)NC(=O)C(=O)Nc1cccc(OCc2cccnc2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)OCc1cccnc1)C(=O)N[*:1]
CC(C)NC(=O)C(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)C[*:1] CC(C)NC(=O)C(=O)Nc1cccc(c1)O[*:1]
CC(C)NC(=O)C(=O)Nc1cccc(OCc2cccnc2)c1 c1cncc(c1)[*:1] CC(C)NC(=O)C(=O)Nc1cccc(c1)OC[*:1]
NS(=O)(=O)CCNC(=O)c1ccccc1COc1ccccc1 NS(=O)(=O)C[*:1] O=C(NC[*:1])c1ccccc1COc1ccccc1
NS(=O)(=O)CCNC(=O)c1ccccc1COc1ccccc1 c1ccc(cc1)O[*:1] NS(=O)(=O)CCNC(=O)c1ccccc1C[*:1]
NS(=O)(=O)CCNC(=O)c1ccccc1COc1ccccc1 NS(=O)(=O)[*:1] O=C(NCC[*:1])c1ccccc1COc1ccccc1
NS(=O)(=O)CCNC(=O)c1ccccc1COc1ccccc1 c1ccc(cc1)[*:1] NS(=O)(=O)CCNC(=O)c1ccccc1CO[*:1]
NS(=O)(=O)CCNC(=O)c1ccccc1COc1ccccc1 NS(=O)(=O)CC[*:1] O=C(N[*:1])c1ccccc1COc1ccccc1
C[C@H](C(=O)OC[C@@H]1CCCCO1)c1ccsc1 c1cc(cs1)[*:1] C[C@H](C(=O)OC[C@@H]1CCCCO1)[*:1]
Cc1ncccc1NC(=O)CCOC(C)C CC(C)O[*:1] Cc1ncccc1NC(=O)CC[*:1]
Cc1ncccc1NC(=O)CCOC(C)C CC(C)OC[*:1] Cc1ncccc1NC(=O)C[*:1]
Cc1ncccc1NC(=O)CCOC(C)C CC(C)[*:1] Cc1ncccc1NC(=O)CCO[*:1]
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(O)cc3)oc12 c1csc(n1)[*:1] COc1cccc2cc(oc12)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(O)cc1)[*:1]
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(O)cc3)oc12 Oc1ccc(cc1)[*:1] COc1cccc2cc(oc12)C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1[*:1]
C[C@H]1CN(CC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CCO1 c1ccc(cc1)[*:1] C[C@H]1CN(CCO1)CC(=O)N1CCN(CC1)CC(=O)N[*:1]
COc1ccccc1CNC(=O)N[C@H](C)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COc1ccccc1CNC(=O)N[C@H](C)[*:1]
CC(C)C[C@@H](C(=O)Nc1cccc([S@@](C)=O)c1)N1CCCCC1=O O=C1CCCCN1[*:1] CC(C)C[C@@H](C(=O)Nc1cccc(c1)[S@@](C)=O)[*:1]
CC(C)C[C@@H](C(=O)Nc1cccc([S@@](C)=O)c1)N1CCCCC1=O C[S@@](=O)[*:1] CC(C)C[C@@H](C(=O)Nc1cccc(c1)[*:1])N1CCCCC1=O
CC(C)C[C@@H](C(=O)Nc1cccc([S@@](C)=O)c1)N1CCCCC1=O CC(C)C[*:1] C[S@@](=O)c1cccc(c1)NC(=O)[C@@H](N1CCCCC1=O)[*:1]
CC(C)C[C@@H](C(=O)Nc1cccc([S@@](C)=O)c1)N1CCCCC1=O CC(C)[*:1] C[S@@](=O)c1cccc(c1)NC(=O)[C@H](C[*:1])N1CCCCC1=O
Cc1ccc(C)c(S(=O)(=O)/N=C(\[O-])CCc2cccs2)c1 c1csc(c1)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)/N=C(\[O-])C[*:1]
Cc1ccc(C)c(S(=O)(=O)/N=C(\[O-])CCc2cccs2)c1 c1csc(c1)CC[*:1] Cc1ccc(C)c(c1)S(=O)(=O)/N=C(\[O-])[*:1]
Cc1ccc(C)c(S(=O)(=O)/N=C(\[O-])CCc2cccs2)c1 c1csc(c1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)/N=C(\[O-])CC[*:1]
CCSCCC(=O)N[C@@H]1c2ccccc2C[C@H]1O CCSCC[*:1] O=C(N[C@@H]1c2ccccc2C[C@H]1O)[*:1]
CCSCCC(=O)N[C@@H]1c2ccccc2C[C@H]1O CCS[*:1] O=C(CC[*:1])N[C@@H]1c2ccccc2C[C@H]1O
CCSCCC(=O)N[C@@H]1c2ccccc2C[C@H]1O CCSC[*:1] O=C(C[*:1])N[C@@H]1c2ccccc2C[C@H]1O
CNC(=O)/C(=N\OC)c1ccccc1COc1cc(C)ccc1C CNC(=O)/C(=N\OC)[*:1] Cc1ccc(C)c(c1)OCc1ccccc1[*:1]
CNC(=O)/C(=N\OC)c1ccccc1COc1cc(C)ccc1C Cc1ccc(C)c(c1)[*:1] CNC(=O)/C(=N\OC)c1ccccc1CO[*:1]
Cc1cc2oc(-c3ccccc3)cc(=O)c2cc1Cl c1ccc(cc1)[*:1] Cc1cc2oc(cc(=O)c2cc1Cl)[*:1]
CCc1ccccc1OCC(=O)N1CCC[C@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] CCc1ccccc1OCC(=O)N1CCC[C@@H]1[*:1]
COc1ccc(CN(C(=O)CC2CCC2)c2nccs2)c(OC)c1 C1CC(C1)C[*:1] COc1ccc(CN(C(=O)[*:1])c2nccs2)c(c1)OC
COc1ccc(CN(C(=O)CC2CCC2)c2nccs2)c(OC)c1 C1CC(C1)[*:1] COc1ccc(CN(C(=O)C[*:1])c2nccs2)c(c1)OC
COc1ccc(CN(C(=O)CC2CCC2)c2nccs2)c(OC)c1 c1csc(n1)[*:1] COc1ccc(CN(C(=O)CC2CCC2)[*:1])c(c1)OC
COC(=O)c1cn(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1 O=[N+]([O-])[*:1] COC(=O)c1cn(nn1)-c1ccccc1NC(=O)c1ccc(c(C)c1)[*:1]
COC(=O)c1cn(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1 COC(=O)c1cn(nn1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1ccccc1[*:1]
COC(=O)c1cn(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1 COC(=O)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1ccccc1-n1cc(nn1)[*:1]
CCOc1ccc([C@H]2[C@]3(C#N)C(N)=NC4(OCCO4)[C@]23C#N)cc1 CCO[*:1] N#C[C@@]12C(N)=NC3(OCCO3)[C@]1(C#N)[C@H]2c1ccc(cc1)[*:1]
O=C(NCc1cccs1)c1ccc(NC(=O)c2nc3c(F)cccc3s2)cc1 O=C(NCc1cccs1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1nc2c(F)cccc2s1
O=C(NCc1cccs1)c1ccc(NC(=O)c2nc3c(F)cccc3s2)cc1 c1csc(c1)[*:1] O=C(NC[*:1])c1ccc(cc1)NC(=O)c1nc2c(F)cccc2s1
O=C(NCc1cccs1)c1ccc(NC(=O)c2nc3c(F)cccc3s2)cc1 c1csc(c1)C[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)c1nc2c(F)cccc2s1
NC(=O)c1cnc(NC[C@H](c2ccccc2)N2CCOCC2)c(Cl)c1 C1CN(CCO1)[*:1] NC(=O)c1cnc(NC[C@H](c2ccccc2)[*:1])c(Cl)c1
NC(=O)c1cnc(NC[C@H](c2ccccc2)N2CCOCC2)c(Cl)c1 NC(=O)[*:1] Clc1cc(cnc1NC[C@H](c1ccccc1)N1CCOCC1)[*:1]
NC(=O)c1cnc(NC[C@H](c2ccccc2)N2CCOCC2)c(Cl)c1 c1ccc(cc1)[*:1] NC(=O)c1cnc(NC[C@H](N2CCOCC2)[*:1])c(Cl)c1
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3ncccn3)CC2)c2ccc(C(=O)[O-])cc21 O=C([O-])[*:1] Cn1cc(c2ccc(cc21)[*:1])[C@H](C(=O)[O-])[NH+]1CCN(CC1)c1ncccn1
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3ncccn3)CC2)c2ccc(C(=O)[O-])cc21 c1cnc(nc1)[*:1] Cn1cc(c2ccc(cc21)C(=O)[O-])[C@H](C(=O)[O-])[NH+]1CCN(CC1)[*:1]
COc1cc(C(=O)NCc2ccc(C)cc2)cc(OC)c1C Cc1ccc(cc1)[*:1] COc1cc(cc(OC)c1C)C(=O)NC[*:1]
COC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1 COC(=O)[*:1] O=C(c1ccc(Br)o1)N1CCC(CC1)[*:1]
COC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1 Brc1ccc(o1)[*:1] COC(=O)C1CCN(CC1)C(=O)[*:1]
COC(=O)c1ccc([C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)o1 COC(=O)c1ccc(o1)[*:1] C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)[*:1]
COC(=O)c1ccc([C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)o1 c1coc(c1)C[*:1] COC(=O)c1ccc(o1)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1[*:1]
COC(=O)c1ccc([C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)o1 COC(=O)[*:1] C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)c1ccc(o1)[*:1]
COC(=O)c1ccc([C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)o1 c1coc(c1)[*:1] COC(=O)c1ccc(o1)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C[*:1]
O=C(/C=C/c1ccco1)N(CCN1CCOCC1)c1ccccc1 c1coc(c1)[*:1] O=C(C=C[*:1])N(CCN1CCOCC1)c1ccccc1
O=C(/C=C/c1ccco1)N(CCN1CCOCC1)c1ccccc1 C1CN(CCO1)[*:1] O=C(/C=C/c1ccco1)N(CC[*:1])c1ccccc1
O=C(/C=C/c1ccco1)N(CCN1CCOCC1)c1ccccc1 C1CN(CCO1)CC[*:1] O=C(/C=C/c1ccco1)N(c1ccccc1)[*:1]
O=C(/C=C/c1ccco1)N(CCN1CCOCC1)c1ccccc1 C(=C[*:1])c1ccco1 O=C(N(CCN1CCOCC1)c1ccccc1)[*:1]
O=C(/C=C/c1ccco1)N(CCN1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1ccco1)N(CCN1CCOCC1)[*:1]
O=C(/C=C/c1ccco1)N(CCN1CCOCC1)c1ccccc1 C1CN(CCO1)C[*:1] O=C(/C=C/c1ccco1)N(C[*:1])c1ccccc1
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 O=C(OC[C@@H]1CCCO1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1[*:1])c1ccc(cc1)[N+](=O)[O-]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 C1CO[C@@H](C1)C[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)O[*:1])c1ccc(cc1)[N+](=O)[O-]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 O=[N+]([O-])[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)OC[C@@H]1CCCO1)c1ccc(cc1)[*:1]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 O=[N+]([O-])c1ccc(cc1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@H](C=1C(=O)OC[C@@H]1CCCO1)[*:1]
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 C1CO[C@@H](C1)[*:1] CC1NC2CC(C)(C)CC(=O)C=2[C@@H](C=1C(=O)OC[*:1])c1ccc(cc1)[N+](=O)[O-]
CC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1 CC(=O)N[*:1] O=C(Nc1cccc(Cl)c1F)c1ccc(cc1)[*:1]
CC1(C)CS(=O)(=O)N(c2ccc(Cl)c(C(=O)NCCC3=c4ccccc4=[NH+]C3)c2)C1=O CC1(C)CS(=O)(=O)N(C1=O)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)c1cc(ccc1Cl)[*:1]
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1N1CCN(CCO)CC1 c1cncc(c1)CN[*:1] O=[N+]([O-])c1c(ncnc1[*:1])N1CCN(CCO)CC1
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1N1CCN(CCO)CC1 c1cncc(c1)C[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CCO)CC1)N[*:1]
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1N1CCN(CCO)CC1 OCC[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CC1)[*:1])NCc1cccnc1
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1N1CCN(CCO)CC1 O=[N+]([O-])[*:1] OCCN1CCN(CC1)c1ncnc(NCc2cccnc2)c1[*:1]
O=[N+]([O-])c1c(NCc2cccnc2)ncnc1N1CCN(CCO)CC1 c1cncc(c1)[*:1] O=[N+]([O-])c1c(ncnc1N1CCN(CCO)CC1)NC[*:1]
Cc1nn(-c2cccc(Cl)c2)c(O)c1/C=N/c1sc2c(c1C#N)CCCC2 Clc1cccc(c1)[*:1] Cc1nn(c(O)c1/C=N/c1sc2CCCCc2c1C#N)[*:1]
COc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc(OC)c1OC Clc1ccccc1[*:1] COc1cc(cc(OC)c1OC)NC(=O)c1c(noc1C)[*:1]
COc1ccc([C@H](C/N=C/c2cc(OC)ccc2O)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] COc1ccc(O)c(/C=N/C[C@H]([NH+]2CCCC2)[*:1])c1
O=C(c1cnc2ccccc2n1)N1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(c1cnc2ccccc2n1)N1CCN(CC1)C[*:1]
O=C(c1cnc2ccccc2n1)N1CCN(Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] O=C(c1cnc2ccccc2n1)N1CCN(CC1)[*:1]
Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1c(F)cccc1F O=C([O-])[*:1] Cc1cc(ccc1NS(=O)(=O)c1c(F)cccc1F)[*:1]
Cc1nc2ccccc2n(CCCC(F)(F)F)c1=O FC(F)(F)CC[*:1] Cc1nc2ccccc2n(C[*:1])c1=O
Cc1nc2ccccc2n(CCCC(F)(F)F)c1=O FC(F)(F)C[*:1] Cc1nc2ccccc2n(CC[*:1])c1=O
Cc1nc2ccccc2n(CCCC(F)(F)F)c1=O FC(F)(F)[*:1] Cc1nc2ccccc2n(CCC[*:1])c1=O
C#CCNC(=O)N1CCC[C@H]1c1nc2ccccc2s1 C#CC[*:1] O=C(N[*:1])N1CCC[C@H]1c1nc2ccccc2s1
COc1ccc(-c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)nn1 COc1ccc(nn1)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc2CCCCc2c1
COc1ccc(C2=NCC(=O)N(Cc3ccc(C)cc3)c3sc4c(c32)CCCC4)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)C1=NCC(=O)N(C[*:1])c2sc3CCCCc3c21
COc1ccc(C2=NCC(=O)N(Cc3ccc(C)cc3)c3sc4c(c32)CCCC4)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1)CN1C(=O)CN=C(c2c1sc1CCCCc12)[*:1]
COc1ccc(C2=NCC(=O)N(Cc3ccc(C)cc3)c3sc4c(c32)CCCC4)cc1 Cc1ccc(cc1)C[*:1] COc1ccc(cc1)C1=NCC(=O)N(c2sc3CCCCc3c21)[*:1]
O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1cc2ccccc2[nH]1 C1CCC(C1)[*:1] O=C(Nc1ccc2CCN(C(=O)[*:1])c2c1)c1cc2ccccc2[nH]1
O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1cc2ccccc2[nH]1 c1ccc2[nH]c(cc2c1)[*:1] O=C(C1CCCC1)N1CCc2ccc(cc21)NC(=O)[*:1]
CCn1cc(C(=O)Nc2cc(C(=O)N(C)C)ccc2F)cn1 CCn1cc(cn1)[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)[*:1]
CCn1cc(C(=O)Nc2cc(C(=O)N(C)C)ccc2F)cn1 CN(C)C(=O)[*:1] CCn1cc(cn1)C(=O)Nc1cc(ccc1F)[*:1]
CN(CC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 C1CCC(C1)[*:1] CN(C[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)C[C@H]1CCCO1
CN(CC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 C1CCC(C1)C[*:1] CN(C(=O)Nc1ccc(cc1)S(=O)(=O)C[C@H]1CCCO1)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 C[C@@H](O)C[*:1] C[C@@H](CNC(=O)Nc1ccc(F)c(c1)C(=O)N(C)C)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(F)c(c1)[*:1]
C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 C[C@@H](O)[*:1] C[C@@H](CNC(=O)Nc1ccc(F)c(c1)C(=O)N(C)C)C[*:1]
CC(C)[C@H](C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1)c1ccccc1 CN(C(=O)OC(C)(C)C)[*:1] CC(C)[C@H](C(=O)N1CCC(CC1)[*:1])c1ccccc1
CC(C)[C@H](C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1)c1ccccc1 CC(C)(C)[*:1] CC(C)[C@H](C(=O)N1CCC(CC1)N(C)C(=O)O[*:1])c1ccccc1
CC(C)[C@H](C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](C(=O)N1CCC(CC1)N(C)C(=O)OC(C)(C)C)[*:1]
CC(C)[C@H](C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1)c1ccccc1 CC(C)[*:1] CN(C(=O)OC(C)(C)C)C1CCN(CC1)C(=O)[C@H](c1ccccc1)[*:1]
CCOc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1C(C)C CC(C)[*:1] CCOc1cc(C)c(cc1[*:1])S(=O)(=O)N1CCCCC1
CCOc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1C(C)C CCO[*:1] Cc1cc(c(cc1S(=O)(=O)N1CCCCC1)C(C)C)[*:1]
CCSc1cncc(N2CCC(Oc3cccc(C#N)c3)CC2)n1 N#Cc1cccc(c1)[*:1] CCSc1cncc(n1)N1CCC(CC1)O[*:1]
CCSc1cncc(N2CCC(Oc3cccc(C#N)c3)CC2)n1 CCS[*:1] N#Cc1cccc(c1)OC1CCN(CC1)c1cncc(n1)[*:1]
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C[C@@H]2CN(C)CCO2)C1=O CN1CCO[C@@H](C1)[*:1] CC(C)C[C@@H]1NC(=O)[C@H](C)N(C[*:1])C1=O
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C[C@@H]2CN(C)CCO2)C1=O CC(C)C[*:1] C[C@H]1C(=O)N[C@H](C(=O)N1C[C@@H]1CN(C)CCO1)[*:1]
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C[C@@H]2CN(C)CCO2)C1=O CC(C)[*:1] C[C@H]1C(=O)N[C@@H](C[*:1])C(=O)N1C[C@@H]1CN(C)CCO1
Cn1c(C2CC2)nc2cc(NC(=O)CCNS(C)(=O)=O)ccc21 C1CC1[*:1] Cn1c(nc2cc(ccc21)NC(=O)CCNS(C)(=O)=O)[*:1]
Cn1c(C2CC2)nc2cc(NC(=O)CCNS(C)(=O)=O)ccc21 CS(=O)(=O)N[*:1] Cn1c(nc2cc(ccc21)NC(=O)CC[*:1])C1CC1
Cn1c(C2CC2)nc2cc(NC(=O)CCNS(C)(=O)=O)ccc21 CS(=O)(=O)NCC[*:1] Cn1c(nc2cc(ccc21)NC(=O)[*:1])C1CC1
Cn1c(C2CC2)nc2cc(NC(=O)CCNS(C)(=O)=O)ccc21 CS(=O)(=O)NC[*:1] Cn1c(nc2cc(ccc21)NC(=O)C[*:1])C1CC1
CC[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1 CC[C@H]1CCCCN1C(=O)[*:1] Cc1cc2NC(=O)COc2cc1S(=O)(=O)N1CCC(CC1)[*:1]
C[NH+]1CCCN(C(=O)C2CCN(c3ncccn3)CC2)CC1 c1cnc(nc1)[*:1] C[NH+]1CCCN(CC1)C(=O)C1CCN(CC1)[*:1]
COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC Cc1cccc(c1C)[*:1] COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)[*:1]
CC(C)[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1nnc2n1CCC2 C1CC1[*:1] CC(C)[C@H](NC(=O)N(C)[C@@H](C)[*:1])c1nnc2CCCn21
CC(C)[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1nnc2n1CCC2 CC(C)[*:1] C[C@@H](C1CC1)N(C)C(=O)N[C@H](c1nnc2CCCn21)[*:1]
CC(C)[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1nnc2n1CCC2 C[C@@H](C1CC1)[*:1] CC(C)[C@H](NC(=O)N(C)[*:1])c1nnc2CCCn21
O=C(CCc1cccs1)NCCc1nc2ccccc2[nH]1 c1csc(c1)C[*:1] O=C(C[*:1])NCCc1nc2ccccc2[nH]1
O=C(CCc1cccs1)NCCc1nc2ccccc2[nH]1 c1csc(c1)CC[*:1] O=C(NCCc1nc2ccccc2[nH]1)[*:1]
O=C(CCc1cccs1)NCCc1nc2ccccc2[nH]1 c1csc(c1)[*:1] O=C(CC[*:1])NCCc1nc2ccccc2[nH]1
O=C(c1ccc(O)cc1)N1CCN(Cc2cc(F)ccc2F)CC1 Oc1ccc(cc1)[*:1] O=C(N1CCN(CC1)Cc1cc(F)ccc1F)[*:1]
O=C(c1ccc(O)cc1)N1CCN(Cc2cc(F)ccc2F)CC1 Fc1ccc(F)c(c1)[*:1] O=C(c1ccc(O)cc1)N1CCN(CC1)C[*:1]
COc1ccc(F)cc1NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)C[*:1] COc1ccc(F)cc1NC(=O)N[C@H](C(=O)N1CCCC1)[*:1]
COc1ccc(F)cc1NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 COc1ccc(F)cc1[*:1] O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)N[*:1]
COc1ccc(F)cc1NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] COc1ccc(F)cc1NC(=O)N[C@H](Cc1ccccc1)[*:1]
COc1ccc(F)cc1NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 c1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)N[C@H](C[*:1])C(=O)N1CCCC1
Cc1cc(C[NH+](C)CCCOc2ccc(C#N)cc2)no1 Cc1cc(no1)[*:1] C[NH+](CCCOc1ccc(C#N)cc1)C[*:1]
Cc1cc(C[NH+](C)CCCOc2ccc(C#N)cc2)no1 Cc1cc(C[*:1])no1 C[NH+](CCCOc1ccc(C#N)cc1)[*:1]
Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)[C@@H](c1nnnn1[*:1])N1CCN(CC1)c1ccccc1F
Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1 Cc1ccc(cc1)[*:1] Fc1ccccc1N1CCN(CC1)[C@H](c1nnnn1C[C@@H]1CCCO1)[*:1]
Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(CC1)[*:1]
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1OS(=O)(=O)c1cccc2cccnc12 c1cnc2c(cccc2c1)[*:1] O=C1c2cccc3cc(cc(C(=O)N1OS(=O)(=O)[*:1])c23)[N+](=O)[O-]
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1OS(=O)(=O)c1cccc2cccnc12 O=[N+]([O-])[*:1] O=C1c2cccc3cc(cc(C(=O)N1OS(=O)(=O)c1cccc4cccnc14)c23)[*:1]
Cn1ccc(C[NH+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 OCC[*:1] Cn1ccc(c1)C[NH+](Cc1ccc(Cl)c(Cl)c1)C[*:1]
Cn1ccc(C[NH+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 OCCC[*:1] Cn1ccc(c1)C[NH+](Cc1ccc(Cl)c(Cl)c1)[*:1]
Cn1ccc(C[NH+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 Cn1ccc(c1)[*:1] OCCC[NH+](Cc1ccc(Cl)c(Cl)c1)C[*:1]
Cn1ccc(C[NH+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 Cn1ccc(c1)C[*:1] OCCC[NH+](Cc1ccc(Cl)c(Cl)c1)[*:1]
COc1ccccc1CNC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 COc1ccccc1[*:1] O=C(NC[*:1])[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12
Cc1cc(N2CCN(CC(=O)NC3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 C1CC1[*:1] Cc1cc(nc(n1)-c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)CC(=O)N[*:1]
Cc1cc(N2CCN(CC(=O)NC3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 O=C(NC1CC1)[*:1] Cc1cc(nc(n1)-c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)C[*:1]
Cc1cc(N2CCN(CC(=O)NC3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 O=C(C[*:1])NC1CC1 Cc1cc(nc(n1)-c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)[*:1]
Cc1cc(N2CCN(CC(=O)NC3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])[*:1] Cc1cc(nc(n1)-c1ccc(cc1)[*:1])N1CCN(CC1)CC(=O)NC1CC1
Cc1cc(N2CCN(CC(=O)NC3CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1cc(nc(n1)[*:1])N1CCN(CC1)CC(=O)NC1CC1
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)o1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)[C@H](C[*:1])NC(=O)c1ccc(Br)o1)c1ccccc1
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)o1)c1ccccc1 O=C(N[*:1])c1ccc(Br)o1 CN(C(=O)[C@H](Cc1ccccc1)[*:1])c1ccccc1
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)o1)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)o1)[*:1]
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)o1)c1ccccc1 Brc1ccc(o1)[*:1] CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[*:1])c1ccccc1
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)o1)c1ccccc1 c1ccc(cc1)C[*:1] CN(C(=O)[C@H](NC(=O)c1ccc(Br)o1)[*:1])c1ccccc1
O=c1c2c3c(sc2ncn1Cc1ccccc1F)C[C@@H](NCc1nc2ccccc2s1)CC3 c1ccc2sc(C[*:1])nc2c1 O=c1c2c3CC[C@@H](Cc3sc2ncn1Cc1ccccc1F)N[*:1]
O=c1c2c3c(sc2ncn1Cc1ccccc1F)C[C@@H](NCc1nc2ccccc2s1)CC3 c1ccc2sc(nc2c1)[*:1] O=c1c2c3CC[C@@H](Cc3sc2ncn1Cc1ccccc1F)NC[*:1]
O=c1c2c3c(sc2ncn1Cc1ccccc1F)C[C@@H](NCc1nc2ccccc2s1)CC3 Fc1ccccc1C[*:1] O=c1c2c3CC[C@@H](Cc3sc2ncn1[*:1])NCc1nc2ccccc2s1
O=c1c2c3c(sc2ncn1Cc1ccccc1F)C[C@@H](NCc1nc2ccccc2s1)CC3 c1ccc2sc(CN[*:1])nc2c1 O=c1c2c3CC[C@H](Cc3sc2ncn1Cc1ccccc1F)[*:1]
O=c1c2c3c(sc2ncn1Cc1ccccc1F)C[C@@H](NCc1nc2ccccc2s1)CC3 Fc1ccccc1[*:1] O=c1c2c3CC[C@@H](Cc3sc2ncn1C[*:1])NCc1nc2ccccc2s1
COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccco3)ccc21 c1coc(c1)[*:1] COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(ccc21)OC(=O)[*:1]
COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccco3)ccc21 COc1ccc(Br)cc1[*:1] N#CC1=C(N)Oc2cc(ccc2[C@H]1[*:1])OC(=O)c1ccco1
COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccco3)ccc21 O=C(O[*:1])c1ccco1 COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(ccc21)[*:1]
CC(C)Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C(C)C)cc1 CC(C)C[*:1] CC(C)[NH2+]C[C@@H]1CCCO[C@H]1c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C(C)C)cc1 CC(C)[*:1] CC(C)[NH2+]C[C@@H]1CCCO[C@H]1c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C(C)C)cc1 CC(C)[*:1] CC(C)Cc1ccc(cc1)[C@@H]1OCCC[C@H]1C[NH2+][*:1]
Cc1cc2c(cc1C)=[NH+]C(c1ccc(OCC(N)=O)c(Cl)c1)[NH+]=2 NC(=O)[*:1] Cc1cc2=[NH+]C([NH+]=c2cc1C)c1ccc(OC[*:1])c(Cl)c1
Cc1cc2c(cc1C)=[NH+]C(c1ccc(OCC(N)=O)c(Cl)c1)[NH+]=2 NC(=O)CO[*:1] Cc1cc2=[NH+]C([NH+]=c2cc1C)c1ccc(c(Cl)c1)[*:1]
Cc1cc2c(cc1C)=[NH+]C(c1ccc(OCC(N)=O)c(Cl)c1)[NH+]=2 NC(=O)C[*:1] Cc1cc2=[NH+]C([NH+]=c2cc1C)c1ccc(O[*:1])c(Cl)c1
CCNC(=O)c1cccc(NC(=O)CN2CCOC[C@H]2CC(C)C)c1 CCNC(=O)[*:1] CC(C)C[C@@H]1COCCN1CC(=O)Nc1cccc(c1)[*:1]
CCNC(=O)c1cccc(NC(=O)CN2CCOC[C@H]2CC(C)C)c1 CC(C)C[*:1] CCNC(=O)c1cccc(c1)NC(=O)CN1CCOC[C@@H]1[*:1]
CCNC(=O)c1cccc(NC(=O)CN2CCOC[C@H]2CC(C)C)c1 CC(C)[*:1] CCNC(=O)c1cccc(c1)NC(=O)CN1CCOC[C@H]1C[*:1]
CSCCc1nc(C2CC2)nn1C1CCCCC1 CSCC[*:1] C1CCC(CC1)n1nc(nc1[*:1])C1CC1
CSCCc1nc(C2CC2)nn1C1CCCCC1 C1CCC(CC1)[*:1] CSCCc1nc(nn1[*:1])C1CC1
CSCCc1nc(C2CC2)nn1C1CCCCC1 CSC[*:1] C1CCC(CC1)n1nc(nc1C[*:1])C1CC1
CSCCc1nc(C2CC2)nn1C1CCCCC1 C1CC1[*:1] CSCCc1nc(nn1C1CCCCC1)[*:1]
CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cnn(-c2ccccn2)c1C CNC(=O)[*:1] Cc1c(cnn1-c1ccccn1)C(=O)N1C[C@H]([NH3+])C[C@H]1[*:1]
CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cnn(-c2ccccn2)c1C c1ccc(nc1)[*:1] CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cnn(c1C)[*:1]
CCC[C@H]1C[C@@H]1NC(=O)Nc1ccccc1-n1nc(C)nc1C Cc1nc(C)n(n1)[*:1] CCC[C@H]1C[C@@H]1NC(=O)Nc1ccccc1[*:1]
CCC[C@H]1C[C@@H]1NC(=O)Nc1ccccc1-n1nc(C)nc1C CCC[*:1] Cc1nc(C)n(n1)-c1ccccc1NC(=O)N[C@H]1C[C@@H]1[*:1]
CCN(CC(=O)Nc1c(C)cccc1C)c1ccc([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CCN(CC(=O)Nc1c(C)cccc1C)c1ccc(cn1)[*:1]
CCN(CC(=O)Nc1c(C)cccc1C)c1ccc([N+](=O)[O-])cn1 Cc1cccc(C)c1[*:1] CCN(CC(=O)N[*:1])c1ccc(cn1)[N+](=O)[O-]
COc1ccc(NC(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)cc1OC c1coc(c1)[*:1] COc1ccc(cc1OC)NC(=O)C1=CC(=NS(=O)(=O)N1C)[*:1]
CCCC[C@@H](Cc1cccc(F)c1F)[NH2+]C(C)C CCCC[*:1] CC(C)[NH2+][C@H](Cc1cccc(F)c1F)[*:1]
CCCC[C@@H](Cc1cccc(F)c1F)[NH2+]C(C)C CC(C)[*:1] CCCC[C@@H](Cc1cccc(F)c1F)[NH2+][*:1]
CCCC[C@@H](Cc1cccc(F)c1F)[NH2+]C(C)C CCC[*:1] CC(C)[NH2+][C@H](Cc1cccc(F)c1F)C[*:1]
O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 Clc1cccc(c1)[*:1] O=C(N[C@H]1C[C@@H]1[*:1])c1c[nH]c2ccc(cc12)[N+](=O)[O-]
O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 O=[N+]([O-])[*:1] O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)c1c[nH]c2ccc(cc12)[*:1]
CCSC1(CNC(=O)Cc2ccc(-n3cccc3)cc2)CCOCC1 c1ccn(c1)[*:1] CCSC1(CCOCC1)CNC(=O)Cc1ccc(cc1)[*:1]
CCSC1(CNC(=O)Cc2ccc(-n3cccc3)cc2)CCOCC1 CCS[*:1] O=C(Cc1ccc(cc1)-n1cccc1)NCC1(CCOCC1)[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N(C)[C@H](C)CC#N CN(C)C(=O)[*:1] Cc1ccc(cc1NC(=O)N(C)[C@H](C)CC#N)[*:1]
Cc1ccc(C(=O)N(C)C)cc1NC(=O)N(C)[C@H](C)CC#N N#CC[*:1] Cc1ccc(cc1NC(=O)N(C)[C@H](C)[*:1])C(=O)N(C)C
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(cc1)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 O=C(N[*:1])c1ccccc1F CC(C)[C@@H](C(=O)Nc1ccc(cc1)N1CCCS1(=O)=O)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 Fc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)Nc1ccc(cc1)N1CCCS1(=O)=O
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 CC(C)[*:1] O=C(N[C@@H](C(=O)Nc1ccc(cc1)N1CCCS1(=O)=O)[*:1])c1ccccc1F
CC(=O)c1ccc(OCc2cc(=O)oc3cc(C)c(C)cc23)cc1 CC(=O)[*:1] Cc1cc2oc(=O)cc(COc3ccc(cc3)[*:1])c2cc1C
COCCOCCNC(=O)[C@H]1COc2ccccc2C1 COCC[*:1] O=C(NCCO[*:1])[C@H]1COc2ccccc2C1
COCCOCCNC(=O)[C@H]1COc2ccccc2C1 COCCO[*:1] O=C(NCC[*:1])[C@H]1COc2ccccc2C1
COCCOCCNC(=O)[C@H]1COc2ccccc2C1 COCCOC[*:1] O=C(NC[*:1])[C@H]1COc2ccccc2C1
COCCOCCNC(=O)[C@H]1COc2ccccc2C1 COC[*:1] O=C(NCCOC[*:1])[C@H]1COc2ccccc2C1
COC[C@@H](N[C@H]1CCOc2cc3c(cc21)OCO3)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COC[C@@H](N[C@H]1CCOc2cc3OCOc3cc21)[*:1]
COC[C@@H](N[C@H]1CCOc2cc3c(cc21)OCO3)c1ccc(F)c(F)c1 COC[*:1] Fc1ccc(cc1F)[C@H](N[C@H]1CCOc2cc3OCOc3cc21)[*:1]
CCOC(=O)c1ccc(CNC(=O)c2ccnc3ccccc23)o1 CCOC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])c1ccnc2ccccc12
CN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](c1nccs1)C1CC1 Clc1ccc(cc1)[*:1] CN(C[*:1])C(=O)N[C@@H](c1nccs1)C1CC1
CN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](c1nccs1)C1CC1 C1CC1[*:1] CN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](c1nccs1)[*:1]
CN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](c1nccs1)C1CC1 c1csc(n1)[*:1] CN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C1CC1)[*:1]
Cc1cccnc1[C@H](NS(=O)(=O)CCC1CC1)C(C)C C1CC1CC[*:1] Cc1cccnc1[C@H](NS(=O)(=O)[*:1])C(C)C
Cc1cccnc1[C@H](NS(=O)(=O)CCC1CC1)C(C)C C1CC1[*:1] Cc1cccnc1[C@H](NS(=O)(=O)CC[*:1])C(C)C
Cc1cccnc1[C@H](NS(=O)(=O)CCC1CC1)C(C)C CC(C)[*:1] Cc1cccnc1[C@H](NS(=O)(=O)CCC1CC1)[*:1]
Cc1cccnc1[C@H](NS(=O)(=O)CCC1CC1)C(C)C C1CC1C[*:1] Cc1cccnc1[C@H](NS(=O)(=O)C[*:1])C(C)C
Cn1cc[nH+]c1CCNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] Cn1cc[nH+]c1CCNC(=O)[C@@H]1COCC(=O)N1C[*:1]
Cn1cc[nH+]c1CCNC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1cc[nH+]c1CCNC(=O)[C@@H]1COCC(=O)N1[*:1]
CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)CC1 CC[C@@H](C)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)CC1 CC[C@@H](C)NC(=O)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N1CCC(CC1)[*:1]
Cc1cc(F)cc(S(=O)(=O)N[C@H](C)CCc2cccn2C)c1 Cn1cccc1C[*:1] Cc1cc(F)cc(c1)S(=O)(=O)N[C@H](C)C[*:1]
Cc1cc(F)cc(S(=O)(=O)N[C@H](C)CCc2cccn2C)c1 Cn1cccc1[*:1] Cc1cc(F)cc(c1)S(=O)(=O)N[C@H](C)CC[*:1]
COc1cc(Cl)c(C)cc1NC(=O)Cn1nnc(-c2cccs2)n1 c1csc(c1)[*:1] COc1cc(Cl)c(C)cc1NC(=O)Cn1nnc(n1)[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1 CC(=O)N(C)C[*:1] O=C(Nc1cccc(c1)[*:1])N(Cc1ccco1)C[C@@H]1CCCO1
CC(=O)N(C)Cc1cccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1 CC(=O)N(C)[*:1] O=C(Nc1cccc(c1)C[*:1])N(Cc1ccco1)C[C@@H]1CCCO1
CC(=O)N(C)Cc1cccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1 c1coc(c1)[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)N(C[C@@H]1CCCO1)C[*:1]
CC(=O)N(C)Cc1cccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1 c1coc(c1)C[*:1] CC(=O)N(C)Cc1cccc(c1)NC(=O)N(C[C@@H]1CCCO1)[*:1]
C[C@@H](CCCO)NC(=O)C1=NN(C)C(=O)CC1 OCC[*:1] C[C@@H](C[*:1])NC(=O)C1CCC(=O)N(C)N=1
C[C@@H](CCCO)NC(=O)C1=NN(C)C(=O)CC1 OCCC[*:1] C[C@@H](NC(=O)C1CCC(=O)N(C)N=1)[*:1]
Cc1nc2ccc(N(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2s1 O=[N+]([O-])[*:1] Cc1nc2ccc(cc2s1)N(C)C(=O)c1ccc(c(C)c1)[*:1]
CCCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C c1ccc(cc1)[*:1] CCCN(C[*:1])C(=O)c1cc(ccc1C)S(=O)(=O)N1CCOCC1
CCCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C CCC[*:1] Cc1ccc(cc1C(=O)N(Cc1ccccc1)[*:1])S(=O)(=O)N1CCOCC1
CCCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C c1ccc(cc1)C[*:1] CCCN(C(=O)c1cc(ccc1C)S(=O)(=O)N1CCOCC1)[*:1]
CCCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C O=S(=O)(N1CCOCC1)[*:1] CCCN(Cc1ccccc1)C(=O)c1cc(ccc1C)[*:1]
O=C(CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CN1CCN(CC1)C(=O)COc1ccc(Cl)cc1)Nc1ccc(Cl)c(c1)[*:1]
O=C(CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 Clc1ccc(cc1)OC[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
O=C(CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 Clc1ccc(cc1)O[*:1] O=C(CN1CCN(CC1)C(=O)C[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
O=C(CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 Clc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)CO[*:1])Nc1ccc(Cl)c(c1)C(F)(F)F
CCOC(=O)CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 CCOC(=O)[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(CC2CC2)C1
CCOC(=O)CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 CCOC(=O)C[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(CC2CC2)C1
CCOC(=O)CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] CCOC(=O)CNC(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CCOC(=O)CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] CCOC(=O)CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CS[C@@H](C)C(=O)N(C)Cc1csc2ccccc12 CS[C@@H](C)[*:1] CN(Cc1csc2ccccc12)C(=O)[*:1]
O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 Fc1ccc(cc1)[*:1] O=C(CO[*:1])N1CCC[C@H]1c1nc(no1)-c1ccc(F)cc1F
O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 Fc1ccc(c(F)c1)[*:1] O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1nc(no1)[*:1]
O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 Fc1ccc(cc1)O[*:1] O=C(C[*:1])N1CCC[C@H]1c1nc(no1)-c1ccc(F)cc1F
O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 Fc1ccc(cc1)OC[*:1] O=C(N1CCC[C@H]1c1nc(no1)-c1ccc(F)cc1F)[*:1]
C[C@@H](OC(=O)c1ccncc1)C(=O)Nc1nc(-c2ccccc2)cs1 c1cc(ccn1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1nc(cs1)-c1ccccc1
C[C@@H](OC(=O)c1ccncc1)C(=O)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] C[C@@H](OC(=O)c1ccncc1)C(=O)Nc1nc(cs1)[*:1]
C1CC(C[NH+](C2CCSCC2)C2CC2)CC[NH2+]1 C1CC1[*:1] C1CC(CC[NH2+]1)C[NH+](C1CCSCC1)[*:1]
C[C@@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccs1 C1CO[C@@H](C1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)[*:1])c1cccs1
C[C@@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccs1 C[C@@H](c1cccs1)[*:1] O=C(Nc1ccc(cc1)NC(=O)[*:1])[C@@H]1CCCO1
C[C@@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccs1 c1csc(c1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)NC(=O)[C@@H]1CCCO1)[*:1]
C[C@@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccs1 O=C(N[*:1])[C@@H]1CCCO1 C[C@@H](C(=O)Nc1ccc(cc1)[*:1])c1cccs1
CCC[C@@H](Cc1ccccc1)NC(=O)c1cnc2cc(C)ccn2c1=O c1ccc(cc1)C[*:1] CCC[C@@H](NC(=O)c1cnc2cc(C)ccn2c1=O)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)c1cnc2cc(C)ccn2c1=O CCC[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)N[C@H](Cc1ccccc1)[*:1]
CCC[C@@H](Cc1ccccc1)NC(=O)c1cnc2cc(C)ccn2c1=O c1ccc(cc1)[*:1] CCC[C@@H](C[*:1])NC(=O)c1cnc2cc(C)ccn2c1=O
Cc1ccc([C@@]2(C(C)(C)C)CCC[NH2+]2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)[C@]1(CCC[NH2+]1)[*:1]
CCOc1cc(/C=C2/SC(=S)N=C2[O-])ccc1OCc1cccc(F)c1 Fc1cccc(c1)C[*:1] CCOc1cc(/C=C2/SC(=S)N=C2[O-])ccc1O[*:1]
CCOc1cc(/C=C2/SC(=S)N=C2[O-])ccc1OCc1cccc(F)c1 Fc1cccc(c1)[*:1] CCOc1cc(/C=C2/SC(=S)N=C2[O-])ccc1OC[*:1]
CCOc1cc(/C=C2/SC(=S)N=C2[O-])ccc1OCc1cccc(F)c1 CCO[*:1] [O-]C1=NC(=S)S/C1=C/c1ccc(OCc2cccc(F)c2)c(c1)[*:1]
C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[S@@](=O)C1CCCC1 C1CCC(C1)[*:1] C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[S@@](=O)[*:1]
C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[S@@](=O)C1CCCC1 Clc1ccc(cc1)[*:1] C[C@H](c1nc(C[*:1])no1)[S@@](=O)C1CCCC1
C[C@@H](C1CC1)N(C)C(=O)c1csc(C#CCCO)c1 C1CC1[*:1] C[C@@H](N(C)C(=O)c1csc(C#CCCO)c1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1csc(C#CCCO)c1 C[C@@H](C1CC1)[*:1] CN(C(=O)c1csc(C#CCCO)c1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1csc(C#CCCO)c1 OCCC#C[*:1] C[C@@H](C1CC1)N(C)C(=O)c1csc(c1)[*:1]
C[C@@H](C1CC1)N(C)C(=O)c1csc(C#CCCO)c1 OCC[*:1] C[C@@H](C1CC1)N(C)C(=O)c1csc(C#C[*:1])c1
CNC(=O)NC(=O)[C@@H](C)Nc1ccn(Cc2ccccn2)n1 c1ccc(C[*:1])nc1 CNC(=O)NC(=O)[C@@H](C)Nc1ccn(n1)[*:1]
CNC(=O)NC(=O)[C@@H](C)Nc1ccn(Cc2ccccn2)n1 CNC(=O)NC(=O)[*:1] C[C@@H](Nc1ccn(Cc2ccccn2)n1)[*:1]
CNC(=O)NC(=O)[C@@H](C)Nc1ccn(Cc2ccccn2)n1 c1ccc(nc1)[*:1] CNC(=O)NC(=O)[C@@H](C)Nc1ccn(C[*:1])n1
CC(=O)Oc1ccc2occ(/C=N/NC(N)=O)c(=O)c2c1 CC(=O)O[*:1] NC(=O)N/N=C/c1coc2ccc(cc2c1=O)[*:1]
CC(=O)Oc1ccc2occ(/C=N/NC(N)=O)c(=O)c2c1 NC(=O)NN=C[*:1] CC(=O)Oc1ccc2occ(c(=O)c2c1)[*:1]
Cc1cccc(C)c1C[NH2+]Cc1ccc(OC(C)C)nc1 CC(C)O[*:1] Cc1cccc(C)c1C[NH2+]Cc1ccc(nc1)[*:1]
Cc1cccc(C)c1C[NH2+]Cc1ccc(OC(C)C)nc1 CC(C)[*:1] Cc1cccc(C)c1C[NH2+]Cc1ccc(nc1)O[*:1]
O=C(CSc1ccnc2ccccc12)Nc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(CSc1ccnc2ccccc12)Nc1ccccc1[*:1]
C[C@@]1(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)CC1(Cl)Cl c1ccc(cc1)[*:1] C[C@]1(CC1(Cl)Cl)C(=O)Nc1c(F)cc(F)cc1[*:1]
O=C(CSc1nnc(N2CCCC2)n1Cc1ccco1)N1CCc2ccccc2C1 c1coc(c1)C[*:1] O=C(CSc1nnc(N2CCCC2)n1[*:1])N1CCc2ccccc2C1
O=C(CSc1nnc(N2CCCC2)n1Cc1ccco1)N1CCc2ccccc2C1 C1CCN(C1)[*:1] O=C(CSc1nnc(n1Cc1ccco1)[*:1])N1CCc2ccccc2C1
O=C(CSc1nnc(N2CCCC2)n1Cc1ccco1)N1CCc2ccccc2C1 c1coc(c1)[*:1] O=C(CSc1nnc(N2CCCC2)n1C[*:1])N1CCc2ccccc2C1
O=C(C=C1CCSCC1)N1CCC(C(F)(F)F)CC1 FC(F)(F)[*:1] O=C(C=C1CCSCC1)N1CCC(CC1)[*:1]
COCCc1noc([C@@H]2CCC(=O)N(C3CCCC3)C2)n1 C1CCC(C1)[*:1] COCCc1noc(n1)[C@@H]1CCC(=O)N(C1)[*:1]
COCCc1noc([C@@H]2CCC(=O)N(C3CCCC3)C2)n1 COCC[*:1] O=C1CC[C@H](CN1C1CCCC1)c1nc(no1)[*:1]
COCCc1noc([C@@H]2CCC(=O)N(C3CCCC3)C2)n1 COC[*:1] O=C1CC[C@H](CN1C1CCCC1)c1nc(C[*:1])no1
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] N#C/C(=C\c1cccc(c1)O[*:1])C(=O)N[C@@H]1CCS(=O)(=O)C1
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 c1ccc(cc1)O[*:1] N#C/C(=C\c1cccc(c1)[*:1])C(=O)N[C@@H]1CCS(=O)(=O)C1
COc1ccc([C@H](C)N(C)C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N(C)[C@@H](C)[*:1])C(=O)NC1CC1
COc1ccc([C@H](C)N(C)C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)Nc1cc(ccc1C)C(=O)N[*:1]
COc1ccc([C@H](C)N(C)C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)cc1 O=C(NC1CC1)[*:1] COc1ccc(cc1)[C@H](C)N(C)C(=O)Nc1cc(ccc1C)[*:1]
Cc1onc(-c2ccccc2)c1-c1nnc(CN2Cc3ccccc3C[C@H]2C(N)=O)o1 c1ccc(cc1)[*:1] Cc1onc(c1-c1nnc(CN2Cc3ccccc3C[C@H]2C(N)=O)o1)[*:1]
Cc1onc(-c2ccccc2)c1-c1nnc(CN2Cc3ccccc3C[C@H]2C(N)=O)o1 NC(=O)[*:1] Cc1onc(-c2ccccc2)c1-c1nnc(CN2Cc3ccccc3C[C@@H]2[*:1])o1
CCn1c(=O)c2ccccc2n(Cc2ccccc2C)c1=O Cc1ccccc1[*:1] CCn1c(=O)c2ccccc2n(C[*:1])c1=O
C[C@@H](OC(=O)c1ccccc1-c1ccccc1C#N)[C@H]1CCOC1 N#Cc1ccccc1[*:1] C[C@@H](OC(=O)c1ccccc1[*:1])[C@H]1CCOC1
COc1ccc(NC(=O)C(=O)NC[C@@H](C)O)cc1Cc1ccccc1 c1ccc(cc1)C[*:1] COc1ccc(cc1[*:1])NC(=O)C(=O)NC[C@@H](C)O
COc1ccc(NC(=O)C(=O)NC[C@@H](C)O)cc1Cc1ccccc1 c1ccc(cc1)[*:1] COc1ccc(cc1C[*:1])NC(=O)C(=O)NC[C@@H](C)O
Cc1ccc(NC(=O)CS(=O)(=O)c2nccn2C)c(Br)c1 Cn1ccnc1[*:1] Cc1ccc(NC(=O)CS(=O)(=O)[*:1])c(Br)c1
Cc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] Cc1nc2cc(nn2c(C)c1C[*:1])-c1ccccc1
Cc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2cc(nn2c(C)c1CC(=O)N[*:1])-c1ccccc1
Cc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)Nc1ccccc1 c1ccc(cc1)[*:1] Cc1nc2cc(nn2c(C)c1CC(=O)Nc1ccccc1)[*:1]
Cc1nc(N2CCCC2)cc([C@H]2CCCN(c3cccc(C#N)n3)C2)[nH+]1 N#Cc1cccc(n1)[*:1] Cc1nc(cc([nH+]1)[C@H]1CCCN(C1)[*:1])N1CCCC1
Cc1nc(N2CCCC2)cc([C@H]2CCCN(c3cccc(C#N)n3)C2)[nH+]1 C1CCN(C1)[*:1] Cc1nc(cc([nH+]1)[C@H]1CCCN(C1)c1cccc(C#N)n1)[*:1]
CCc1nn(C)cc1CNc1ccccc1C[NH+](C)C1CCCCC1 C1CCC(CC1)[*:1] CCc1nn(C)cc1CNc1ccccc1C[NH+](C)[*:1]
CCc1nn(C)cc1CNc1ccccc1C[NH+](C)C1CCCCC1 CCc1nn(C)cc1[*:1] C[NH+](Cc1ccccc1NC[*:1])C1CCCCC1
COCC(=O)Nc1cccc(NC(=O)NCc2cccc(Cl)c2)c1 Clc1cccc(c1)C[*:1] COCC(=O)Nc1cccc(c1)NC(=O)N[*:1]
COCC(=O)Nc1cccc(NC(=O)NCc2cccc(Cl)c2)c1 COCC(=O)N[*:1] O=C(NCc1cccc(Cl)c1)Nc1cccc(c1)[*:1]
COCC(=O)Nc1cccc(NC(=O)NCc2cccc(Cl)c2)c1 COC[*:1] O=C(NCc1cccc(Cl)c1)Nc1cccc(c1)NC(=O)[*:1]
COCC(=O)Nc1cccc(NC(=O)NCc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] COCC(=O)Nc1cccc(c1)NC(=O)NC[*:1]
O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCC[NH+](Cc2cccnc2)CC1 c1cncc(c1)[*:1] O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCC[NH+](CC1)C[*:1]
O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCC[NH+](Cc2cccnc2)CC1 Fc1cccc(F)c1[*:1] O=C(c1cn(C[*:1])nn1)N1CCC[NH+](CC1)Cc1cccnc1
O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCC[NH+](Cc2cccnc2)CC1 c1cncc(c1)C[*:1] O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCC[NH+](CC1)[*:1]
O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCC[NH+](Cc2cccnc2)CC1 Fc1cccc(F)c1C[*:1] O=C(c1cn(nn1)[*:1])N1CCC[NH+](CC1)Cc1cccnc1
CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)c1ccc(Cl)cc1 CC(=O)N[C@H](C)[*:1] CC[C@@H](NC(=O)[*:1])c1ccc(Cl)cc1
CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)c1ccc(Cl)cc1 CC(=O)N[*:1] CC[C@@H](NC(=O)[C@@H](C)[*:1])c1ccc(Cl)cc1
CC(C)[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cccnc1 CC(C)[*:1] O=c1ccccn1Cc1ccc(cc1)C[NH2+][C@@H](c1cccnc1)[*:1]
CC(C)[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cccnc1 O=c1ccccn1C[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)[*:1])c1cccnc1
CC(C)[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cccnc1 O=c1ccccn1[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)C[*:1])c1cccnc1
CC(C)[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H]([NH2+]Cc1ccc(cc1)Cn1ccccc1=O)[*:1]
O=C(c1ccncc1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccc(Cl)cc1 c1cc(ccn1)[*:1] O=C(N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccc(Cl)cc1)[*:1]
O=C(c1ccncc1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(c1ccncc1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1[*:1]
N#Cc1ccncc1N[C@@H](c1cccc(Cl)c1)c1ccccn1 c1ccc(nc1)[*:1] N#Cc1ccncc1N[C@@H](c1cccc(Cl)c1)[*:1]
N#Cc1ccncc1N[C@@H](c1cccc(Cl)c1)c1ccccn1 Clc1cccc(c1)[*:1] N#Cc1ccncc1N[C@@H](c1ccccn1)[*:1]
O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(o1)[*:1])N1CCN(CC1)c1ccc(F)cc1
O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(c1ccc(o1)-c1ccc(F)cc1)N1CCN(CC1)[*:1]
CN(C)C(=O)CNc1nc2ccccc2s1 CN(C)C(=O)[*:1] c1ccc2sc(nc2c1)NC[*:1]
CCSc1ccc(Cl)cc1NC(=O)N(C)Cc1nnc(C)n1C Cc1nnc(n1C)[*:1] CCSc1ccc(Cl)cc1NC(=O)N(C)C[*:1]
CCSc1ccc(Cl)cc1NC(=O)N(C)Cc1nnc(C)n1C CCS[*:1] Cc1nnc(CN(C)C(=O)Nc2cc(Cl)ccc2[*:1])n1C
O=C(c1cnc2ccccc2n1)N1CCC[C@H]1c1cccs1 c1csc(c1)[*:1] O=C(c1cnc2ccccc2n1)N1CCC[C@@H]1[*:1]
[NH3+][C@@H]1CCC2(C[C@H]1Sc1ccncc1)OCCO2 c1cc(ccn1)[*:1] [NH3+][C@@H]1CCC2(C[C@H]1S[*:1])OCCO2
N#Cc1ccc(/C=N/n2c(-c3ccc(O)c(C(N)=O)c3)cs/c2=N\C[C@H]2CCCO2)cc1 NC(=O)[*:1] N#Cc1ccc(/C=N/n2c(cs/c2=N\C[C@H]2CCCO2)-c2ccc(O)c(c2)[*:1])cc1
N#Cc1ccc(/C=N/n2c(-c3ccc(O)c(C(N)=O)c3)cs/c2=N\C[C@H]2CCCO2)cc1 NC(=O)c1cc(ccc1O)[*:1] N#Cc1ccc(/C=N/n2c(cs/c2=N\C[C@H]2CCCO2)[*:1])cc1
N#Cc1ccc(/C=N/n2c(-c3ccc(O)c(C(N)=O)c3)cs/c2=N\C[C@H]2CCCO2)cc1 N#Cc1ccc(cc1)[*:1] NC(=O)c1cc(ccc1O)-c1cs/c(=N\C[C@H]2CCCO2)n1N=C[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1Cl CC(=O)N[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])c1ccccc1C(=O)c1ccc(F)cc1
CC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1Cl O=C(c1ccc(F)cc1)[*:1] CC(=O)Nc1ccc(cc1Cl)NC(=O)c1ccccc1[*:1]
CC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1Cl Fc1ccc(cc1)[*:1] CC(=O)Nc1ccc(cc1Cl)NC(=O)c1ccccc1C(=O)[*:1]
CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc2[nH]c(CO)nc2c1 c1cnn(c1)[*:1] CN(Cc1ccc(cc1)[*:1])C(=O)c1ccc2[nH]c(CO)nc2c1
Cc1ccn2c(C(=O)N3CCC[C@H](Cn4cc(C5CC5)nn4)C3)c(C)nc2c1 c1c(nnn1[*:1])C1CC1 Cc1ccn2c(C(=O)N3CCC[C@@H](C3)C[*:1])c(C)nc2c1
Cc1ccn2c(C(=O)N3CCC[C@H](Cn4cc(C5CC5)nn4)C3)c(C)nc2c1 c1c(nnn1C[*:1])C1CC1 Cc1ccn2c(C(=O)N3CCC[C@H](C3)[*:1])c(C)nc2c1
Cc1ccn2c(C(=O)N3CCC[C@H](Cn4cc(C5CC5)nn4)C3)c(C)nc2c1 C1CC1[*:1] Cc1ccn2c(C(=O)N3CCC[C@@H](C3)Cn3cc(nn3)[*:1])c(C)nc2c1
CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@H]1C[NH+]2CCN1CC2 CCS(=O)(=O)[*:1] C[NH2+][C@H](CCC[*:1])[C@H]1C[NH+]2CCN1CC2
CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@H]1C[NH+]2CCN1CC2 CCS(=O)(=O)C[*:1] C[NH2+][C@H](CC[*:1])[C@H]1C[NH+]2CCN1CC2
O=C(NCCCSc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 c1cc2OCCOc2cc1[*:1] O=C(NCCCSc1ccc(F)cc1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(NCCCSc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 Fc1ccc(cc1)SC[*:1] O=C(NCC[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
O=C(NCCCSc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 Fc1ccc(cc1)S[*:1] O=C(NCCC[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
O=C(NCCCSc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 Fc1ccc(cc1)[*:1] O=C(NCCCS[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
O=C(NCCCSc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 Fc1ccc(cc1)SCC[*:1] O=C(NC[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCCOc2c1
Cc1ccc(/C([O-])=N/S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1F Cc1ccc(cc1F)[*:1] N#Cc1ccc(c(c1)C(F)(F)F)S(=O)(=O)/N=C(\[O-])[*:1]
Cc1ccc(/C([O-])=N/S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1F FC(F)(F)[*:1] Cc1ccc(cc1F)/C([O-])=N/S(=O)(=O)c1ccc(C#N)cc1[*:1]
C[S@](=O)c1ccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] C[S@](=O)c1ccc(cc1)C[NH2+]C[C@@H]1C[C@H]1[*:1]
C[S@](=O)c1ccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1 C[S@](=O)[*:1] c1ccc(cc1)[C@H]1C[C@H]1C[NH2+]Cc1ccc(cc1)[*:1]
Cc1ccc([C@@H](CNC(=O)c2c(-c3ccccc3Cl)noc2C)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H]([NH+](C)C)[*:1]
Cc1ccc([C@@H](CNC(=O)c2c(-c3ccccc3Cl)noc2C)[NH+](C)C)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)c1c(noc1C)[*:1])[NH+](C)C
C=CCNC(=O)N[C@@H](C)c1cnc(N2CCCCCCC2)nc1C C1CCCN(CCC1)[*:1] C=CCNC(=O)N[C@@H](C)c1cnc(nc1C)[*:1]
C=CCNC(=O)N[C@@H](C)c1cnc(N2CCCCCCC2)nc1C C=CCNC(=O)N[*:1] Cc1nc(ncc1[C@H](C)[*:1])N1CCCCCCC1
C=CCNC(=O)N[C@@H](C)c1cnc(N2CCCCCCC2)nc1C C=CC[*:1] Cc1nc(ncc1[C@H](C)NC(=O)N[*:1])N1CCCCCCC1
Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)on1 Cc1cccc(c1C)[*:1] Cc1cc(on1)C(=O)N1CSC[C@H]1C(=O)N[*:1]
Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2C)on1 Cc1cc(on1)[*:1] Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[*:1])c1C
CC(C)Cn1cnc2c(NC(=O)c3ccccc3)nc3ccccc3c21 c1ccc(cc1)[*:1] CC(C)Cn1cnc2c(nc3ccccc3c21)NC(=O)[*:1]
CC(C)Cn1cnc2c(NC(=O)c3ccccc3)nc3ccccc3c21 CC(C)[*:1] O=C(Nc1nc2ccccc2c2c1ncn2C[*:1])c1ccccc1
CC(C)Cn1cnc2c(NC(=O)c3ccccc3)nc3ccccc3c21 CC(C)C[*:1] O=C(Nc1nc2ccccc2c2c1ncn2[*:1])c1ccccc1
Cc1ccccc1C[C@]1(CO)CCCN(C(=O)Cn2nc3ccccc3n2)C1 Cc1ccccc1[*:1] O=C(Cn1nc2ccccc2n1)N1CCC[C@](CO)(C1)C[*:1]
Cc1ccccc1C[C@]1(CO)CCCN(C(=O)Cn2nc3ccccc3n2)C1 c1ccc2nn(nc2c1)[*:1] Cc1ccccc1C[C@]1(CO)CCCN(C1)C(=O)C[*:1]
Cc1ccccc1C[C@]1(CO)CCCN(C(=O)Cn2nc3ccccc3n2)C1 Cc1ccccc1C[*:1] O=C(Cn1nc2ccccc2n1)N1CCC[C@@](CO)(C1)[*:1]
COc1ccccc1[C@H](NC(=O)c1ccn(C)c(=O)c1)c1ccccn1 COc1ccccc1[*:1] Cn1ccc(cc1=O)C(=O)N[C@H](c1ccccn1)[*:1]
COc1ccccc1[C@H](NC(=O)c1ccn(C)c(=O)c1)c1ccccn1 c1ccc(nc1)[*:1] COc1ccccc1[C@H](NC(=O)c1ccn(C)c(=O)c1)[*:1]
COc1ccccc1[C@H](NC(=O)c1ccn(C)c(=O)c1)c1ccccn1 Cn1ccc(cc1=O)[*:1] COc1ccccc1[C@H](NC(=O)[*:1])c1ccccn1
O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C=C[C@H](C(=O)[O-])C1 O=[N+]([O-])[*:1] O=C(Cc1ccccc1[*:1])N[C@@H]1C=C[C@@H](C1)C(=O)[O-]
O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C=C[C@H](C(=O)[O-])C1 O=C([O-])[*:1] O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C=C[C@H](C1)[*:1]
CCCCOc1ccc(C(=O)n2cnc3ccccc32)cc1 CCCCO[*:1] O=C(c1ccc(cc1)[*:1])n1cnc2ccccc21
CCCCOc1ccc(C(=O)n2cnc3ccccc32)cc1 CCCC[*:1] O=C(c1ccc(cc1)O[*:1])n1cnc2ccccc21
CCCCOc1ccc(C(=O)n2cnc3ccccc32)cc1 CCC[*:1] O=C(c1ccc(cc1)OC[*:1])n1cnc2ccccc21
COc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 COc1ccccc1[*:1] O=C(N[*:1])[C@@H](Sc1ccccc1)c1ccccc1
COc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)S[*:1] COc1ccccc1NC(=O)[C@@H](c1ccccc1)[*:1]
COc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@@H](S[*:1])c1ccccc1
COc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@@H](Sc1ccccc1)[*:1]
NC(=O)C1(NC(=O)C[C@H]2C=CCC2)CCCC1 NC(=O)[*:1] O=C(C[C@H]1C=CCC1)NC1(CCCC1)[*:1]
CCCCCc1ccc(OS(=O)(=O)c2cn(C)cn2)cc1 CCCCC[*:1] Cn1cnc(c1)S(=O)(=O)Oc1ccc(cc1)[*:1]
CCCCCc1ccc(OS(=O)(=O)c2cn(C)cn2)cc1 CCC[*:1] Cn1cnc(c1)S(=O)(=O)Oc1ccc(cc1)CC[*:1]
CCCCCc1ccc(OS(=O)(=O)c2cn(C)cn2)cc1 Cn1cnc(c1)[*:1] CCCCCc1ccc(cc1)OS(=O)(=O)[*:1]
CCCCCc1ccc(OS(=O)(=O)c2cn(C)cn2)cc1 CCCC[*:1] Cn1cnc(c1)S(=O)(=O)Oc1ccc(cc1)C[*:1]
CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2C(=O)NC2CCCC2)c1C O=C(NC1CCCC1)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2C(=O)NC2CCCC2)c1C C1CCC(C1)[*:1] CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2C(=O)N[*:1])c1C
CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2C(=O)NC2CCCC2)c1C CCOC(=O)[*:1] Cc1[nH]c(C(=O)Nc2ccccc2C(=O)NC2CCCC2)c(C)c1[*:1]
O=C(c1ccc(Cl)cc1)n1c(S)nc2sc3c(c2c1=O)CCCC3 Clc1ccc(cc1)[*:1] O=C(n1c(S)nc2sc3CCCCc3c2c1=O)[*:1]
Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)C1CC[NH+](C)CC1 C1CC1[*:1] Cc1c(nn(-c2ccccc2)c1NC(=O)C1CC[NH+](C)CC1)[*:1]
Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)C1CC[NH+](C)CC1 c1ccc(cc1)[*:1] Cc1c(nn(c1NC(=O)C1CC[NH+](C)CC1)[*:1])C1CC1
CN(CC(=O)OC[C@@]1(C)CCCO1)Cc1ccccc1 c1ccc(cc1)[*:1] CN(CC(=O)OC[C@@]1(C)CCCO1)C[*:1]
Cc1ccc(F)c(C(=O)Nc2cccc(C(=O)[O-])c2)c1 O=C([O-])[*:1] Cc1ccc(F)c(c1)C(=O)Nc1cccc(c1)[*:1]
O=C(CCC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=C(CC[*:1])N1CCC(CC1)[C@@H](O)c1ccccc1
O=C(CCC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CCC(CC1)[C@@H](O)[*:1])N1CCOCC1
O=C(CCC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)N1CCOCC1 O[C@@H](c1ccccc1)[*:1] O=C(CCC(=O)N1CCC(CC1)[*:1])N1CCOCC1
CCCNc1cccc(CN2CCC[C@H]2C(N)=O)[nH+]1 CCCN[*:1] NC(=O)[C@@H]1CCCN1Cc1cccc([nH+]1)[*:1]
CCCNc1cccc(CN2CCC[C@H]2C(N)=O)[nH+]1 CCC[*:1] NC(=O)[C@@H]1CCCN1Cc1cccc(N[*:1])[nH+]1
CCCNc1cccc(CN2CCC[C@H]2C(N)=O)[nH+]1 NC(=O)[*:1] CCCNc1cccc(CN2CCC[C@@H]2[*:1])[nH+]1
CC(C)CN(C(=O)C[C@@H]([NH3+])c1ccccc1)C1CCCC1 CC(C)[*:1] [NH3+][C@H](CC(=O)N(C[*:1])C1CCCC1)c1ccccc1
CC(C)CN(C(=O)C[C@@H]([NH3+])c1ccccc1)C1CCCC1 c1ccc(cc1)[*:1] CC(C)CN(C(=O)C[C@@H]([NH3+])[*:1])C1CCCC1
CC(C)CN(C(=O)C[C@@H]([NH3+])c1ccccc1)C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[*:1]
CC(C)CN(C(=O)C[C@@H]([NH3+])c1ccccc1)C1CCCC1 CC(C)C[*:1] [NH3+][C@H](CC(=O)N(C1CCCC1)[*:1])c1ccccc1
COCc1nc(C)cc([N-]S(=O)(=O)c2ccc(N)cc2)n1 COC[*:1] Cc1cc(nc(n1)[*:1])[N-]S(=O)(=O)c1ccc(N)cc1
COCc1nc(C)cc([N-]S(=O)(=O)c2ccc(N)cc2)n1 Nc1ccc(cc1)[*:1] COCc1nc(C)cc(n1)[N-]S(=O)(=O)[*:1]
O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2ccnc(Cl)n2)C1 Clc1nccc(n1)[*:1] O=c1cccc2[C@H]3C[C@H](CN(C3)[*:1])Cn21
CC[C@H](NC(=O)N(C)[C@H](CC)CSC)c1ccc(F)cc1F CSC[*:1] CC[C@H](NC(=O)N(C)[C@H](CC)[*:1])c1ccc(F)cc1F
CC[C@H](CCO)NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O OCC[*:1] CC[C@H](NC(=O)N[C@@H]1CCCN(C1=O)c1ccccc1Cl)[*:1]
CC[C@H](CCO)NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] CC[C@H](CCO)NC(=O)N[C@@H]1CCCN(C1=O)[*:1]
CC[C@H](CCO)NC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O CC[C@H](CCO)[*:1] O=C(N[C@@H]1CCCN(C1=O)c1ccccc1Cl)N[*:1]
C[C@@H](O)[C@@H](NC(=O)CN(C)C(=O)c1cccs1)C(=O)[O-] O=C([O-])[*:1] C[C@@H](O)[C@@H](NC(=O)CN(C)C(=O)c1cccs1)[*:1]
C[C@@H](O)[C@@H](NC(=O)CN(C)C(=O)c1cccs1)C(=O)[O-] C[C@@H](O)[*:1] CN(CC(=O)N[C@@H](C(=O)[O-])[*:1])C(=O)c1cccs1
C[C@@H](O)[C@@H](NC(=O)CN(C)C(=O)c1cccs1)C(=O)[O-] c1csc(c1)[*:1] C[C@@H](O)[C@@H](NC(=O)CN(C)C(=O)[*:1])C(=O)[O-]
[NH3+][C@H]1c2ccccc2CCC[C@H]1CCSc1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@H]1c2ccccc2CCC[C@H]1CCS[*:1]
[NH3+][C@H]1c2ccccc2CCC[C@H]1CCSc1ccccc1 c1ccc(cc1)S[*:1] [NH3+][C@H]1c2ccccc2CCC[C@H]1CC[*:1]
CC(C)CC(=O)OC[C@H]1CC[NH2+]C1 CC(C)[*:1] O=C(C[*:1])OC[C@H]1CC[NH2+]C1
CC(C)CC(=O)OC[C@H]1CC[NH2+]C1 CC(C)C[*:1] O=C(OC[C@H]1CC[NH2+]C1)[*:1]
CCc1cc(CNC(=O)COc2cccc(C(C)=O)c2)on1 CCc1cc(on1)[*:1] CC(=O)c1cccc(c1)OCC(=O)NC[*:1]
CCc1cc(CNC(=O)COc2cccc(C(C)=O)c2)on1 CC(=O)[*:1] CCc1cc(CNC(=O)COc2cccc(c2)[*:1])on1
N#CSc1ccc(Br)cc1[N+](=O)[O-] N#CS[*:1] O=[N+]([O-])c1cc(Br)ccc1[*:1]
N#CSc1ccc(Br)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] N#CSc1ccc(Br)cc1[*:1]
COc1nc(-c2ccccc2)nc(C)c1CC(=O)[O-] c1ccc(cc1)[*:1] COc1nc(nc(C)c1CC(=O)[O-])[*:1]
COc1nc(-c2ccccc2)nc(C)c1CC(=O)[O-] O=C([O-])[*:1] COc1nc(nc(C)c1C[*:1])-c1ccccc1
COc1nc(-c2ccccc2)nc(C)c1CC(=O)[O-] O=C([O-])C[*:1] COc1nc(nc(C)c1[*:1])-c1ccccc1
COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)N[C@@H](C)Cc1cccs1 C[C@@H](Cc1cccs1)[*:1] COc1cc(Br)c(cc1C(=O)N[*:1])S(N)(=O)=O
COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)N[C@@H](C)Cc1cccs1 c1csc(c1)[*:1] COc1cc(Br)c(cc1C(=O)N[C@@H](C)C[*:1])S(N)(=O)=O
COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)N[C@@H](C)Cc1cccs1 c1csc(c1)C[*:1] COc1cc(Br)c(cc1C(=O)N[C@@H](C)[*:1])S(N)(=O)=O
COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)N[C@@H](C)Cc1cccs1 NS(=O)(=O)[*:1] COc1cc(Br)c(cc1C(=O)N[C@@H](C)Cc1cccs1)[*:1]
COc1ccc([C@@H](CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
COCC[C@H](C)C(=O)N1CCC(OCc2ccccc2C)CC1 COCC[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)[C@@H](C)[*:1]
COCC[C@H](C)C(=O)N1CCC(OCc2ccccc2C)CC1 Cc1ccccc1[*:1] COCC[C@H](C)C(=O)N1CCC(CC1)OC[*:1]
COCC[C@H](C)C(=O)N1CCC(OCc2ccccc2C)CC1 COC[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)[C@@H](C)C[*:1]
CC[C@@]1(c2ccc(NC(=O)c3ccc(F)c(NC(C)=O)c3)cc2)CCC(=O)NC1=O CC(=O)N[*:1] CC[C@]1(CCC(=O)NC1=O)c1ccc(cc1)NC(=O)c1ccc(F)c(c1)[*:1]
COc1ccc(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1C Fc1ccc(cc1)[*:1] COc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)OC[*:1]
COc1ccc(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1C Fc1ccc(cc1)C[*:1] COc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)O[*:1]
COc1ccc(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1C COc1ccc(cc1C)[*:1] O=S(=O)(N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
COc1ccc(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1C Fc1ccc(cc1)CO[*:1] COc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)[*:1]
CC(=O)n1nc(-c2ccncc2)nc1SCC(=O)Nc1cccc(Cl)c1 c1cc(ccn1)[*:1] CC(=O)n1nc(nc1SCC(=O)Nc1cccc(Cl)c1)[*:1]
CC(=O)n1nc(-c2ccncc2)nc1SCC(=O)Nc1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(=O)n1nc(nc1SCC(=O)N[*:1])-c1ccncc1
Cc1oc2ccc(OCC(=O)c3ccccc3)cc2c1C(=O)OC(C)C O=C(c1ccccc1)[*:1] Cc1oc2ccc(cc2c1C(=O)OC(C)C)OC[*:1]
Cc1oc2ccc(OCC(=O)c3ccccc3)cc2c1C(=O)OC(C)C CC(C)[*:1] Cc1oc2ccc(cc2c1C(=O)O[*:1])OCC(=O)c1ccccc1
Cc1oc2ccc(OCC(=O)c3ccccc3)cc2c1C(=O)OC(C)C CC(C)OC(=O)[*:1] Cc1oc2ccc(cc2c1[*:1])OCC(=O)c1ccccc1
Cc1oc2ccc(OCC(=O)c3ccccc3)cc2c1C(=O)OC(C)C c1ccc(cc1)[*:1] Cc1oc2ccc(cc2c1C(=O)OC(C)C)OCC(=O)[*:1]
COC(=O)c1c(C)[nH]c(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c1C Brc1ccccc1[*:1] COC(=O)c1c(C)[nH]c(C(=O)CSc2nc(n[nH]2)[*:1])c1C
COC(=O)c1c(C)[nH]c(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c1C COC(=O)[*:1] Cc1[nH]c(C(=O)CSc2nc(n[nH]2)-c2ccccc2Br)c(C)c1[*:1]
O=C(OCc1cc(-c2ccc(F)cc2)on1)c1ccccc1S(=O)(=O)C(F)F Fc1ccc(cc1)[*:1] O=C(OCc1cc(on1)[*:1])c1ccccc1S(=O)(=O)C(F)F
O=C(OCc1cc(-c2ccc(F)cc2)on1)c1ccccc1S(=O)(=O)C(F)F O=S(=O)(C(F)F)[*:1] O=C(OCc1cc(on1)-c1ccc(F)cc1)c1ccccc1[*:1]
O=C(OCc1cc(-c2ccc(F)cc2)on1)c1ccccc1S(=O)(=O)C(F)F FC(F)[*:1] O=C(OCc1cc(on1)-c1ccc(F)cc1)c1ccccc1S(=O)(=O)[*:1]
O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1ncccn1 c1cnc(nc1)[*:1] O=C(CS(=O)(=O)c1ccc2ccccc2c1)N[*:1]
Cc1sc(=O)n(C/C=C/CS)c1C SCC=C[*:1] Cc1sc(=O)n(C[*:1])c1C
Clc1ccc(-n2cc(-c3ccccc3)c3c(NCCCn4ccnc4)ncnc32)cc1 c1cn(cn1)CCCN[*:1] Clc1ccc(cc1)-n1cc(-c2ccccc2)c2c(ncnc21)[*:1]
Clc1ccc(-n2cc(-c3ccccc3)c3c(NCCCn4ccnc4)ncnc32)cc1 Clc1ccc(cc1)[*:1] c1ccc(cc1)-c1cn(c2ncnc(NCCCn3ccnc3)c12)[*:1]
Clc1ccc(-n2cc(-c3ccccc3)c3c(NCCCn4ccnc4)ncnc32)cc1 c1cn(cn1)CCC[*:1] Clc1ccc(cc1)-n1cc(-c2ccccc2)c2c(ncnc21)N[*:1]
Clc1ccc(-n2cc(-c3ccccc3)c3c(NCCCn4ccnc4)ncnc32)cc1 c1cn(cn1)CC[*:1] Clc1ccc(cc1)-n1cc(-c2ccccc2)c2c(ncnc21)NC[*:1]
Clc1ccc(-n2cc(-c3ccccc3)c3c(NCCCn4ccnc4)ncnc32)cc1 c1ccc(cc1)[*:1] Clc1ccc(cc1)-n1cc(c2c(ncnc21)NCCCn1ccnc1)[*:1]
Clc1ccc(-n2cc(-c3ccccc3)c3c(NCCCn4ccnc4)ncnc32)cc1 c1cn(cn1)C[*:1] Clc1ccc(cc1)-n1cc(-c2ccccc2)c2c(ncnc21)NCC[*:1]
Clc1ccc(-n2cc(-c3ccccc3)c3c(NCCCn4ccnc4)ncnc32)cc1 c1cn(cn1)[*:1] Clc1ccc(cc1)-n1cc(-c2ccccc2)c2c(ncnc21)NCCC[*:1]
O=C(NC(=S)Nc1ccc(F)cc1)C1CCCC1 C1CCC(C1)[*:1] O=C(NC(=S)Nc1ccc(F)cc1)[*:1]
Cc1cccc(NC(=O)CN(C)c2ncccc2F)c1C Fc1cccnc1[*:1] Cc1cccc(NC(=O)CN(C)[*:1])c1C
C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN(C(N)=O)C1 O=C([O-])C[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(N)=O)[*:1]
C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN(C(N)=O)C1 C[C@@H](CC(=O)[O-])[*:1] NC(=O)N1CCC[C@H](C1)C(=O)N[*:1]
C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN(C(N)=O)C1 O=C([O-])[*:1] C[C@@H](C[*:1])NC(=O)[C@@H]1CCCN(C1)C(N)=O
O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1 c1ccc(cc1)CC[*:1] O=C(C[*:1])Nc1ccnn1C1CCN(CC1)C(=O)C1=CCCCC1
O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1 c1ccc(cc1)CCC[*:1] O=C(C1=CCCCC1)N1CCC(CC1)n1nccc1NC(=O)[*:1]
O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1 c1ccc(cc1)C[*:1] O=C(CC[*:1])Nc1ccnn1C1CCN(CC1)C(=O)C1=CCCCC1
O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1 c1ccc(cc1)[*:1] O=C(CCC[*:1])Nc1ccnn1C1CCN(CC1)C(=O)C1=CCCCC1
CCOc1cc(C)ccc1NC(=O)CSc1cccc(OC)c1 CCO[*:1] COc1cccc(c1)SCC(=O)Nc1ccc(C)cc1[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 Cc1noc(C)c1[*:1] C[C@@H](C(=O)N[C@H](C)[*:1])[NH+]1CCCCCC1
O=C(NC(C1CC1)C1CC1)c1ccc(Cl)cc1 C1CC1[*:1] O=C(NC(C1CC1)[*:1])c1ccc(Cl)cc1
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCc1cnn(C)c1 Brc1cccc(c1)O[*:1] C[C@@H](C(=O)NNC(=O)CCc1cnn(C)c1)[*:1]
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCc1cnn(C)c1 Cn1cc(cn1)C[*:1] C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C[*:1]
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCc1cnn(C)c1 Cn1cc(cn1)CC[*:1] C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[*:1]
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCc1cnn(C)c1 Brc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)CCc1cnn(C)c1
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CCc1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CC[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)COc3ccccc3Cl)C2)c1 Clc1ccccc1OC[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)COc3ccccc3Cl)C2)c1 Clc1ccccc1[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)CO[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)COc3ccccc3Cl)C2)c1 Clc1ccccc1O[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)COc3ccccc3Cl)C2)c1 CCOC(=O)[*:1] O=C(COc1ccccc1Cl)N1CCC[C@H](C1)n1cc(cn1)[*:1]
CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C)ccc2F)c1 Cc1ccc(F)c(c1)[*:1] CO[C@@H](C)C(=O)Nc1cccc(c1)NS(=O)(=O)[*:1]
CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C)ccc2F)c1 CO[C@@H](C)C(=O)N[*:1] Cc1ccc(F)c(c1)S(=O)(=O)Nc1cccc(c1)[*:1]
Cn1cc[nH+]c1[C@@H](Nc1ncc(C(N)=O)cc1Cl)c1ccccc1 NC(=O)[*:1] Cn1cc[nH+]c1[C@@H](Nc1ncc(cc1Cl)[*:1])c1ccccc1
Cn1cc[nH+]c1[C@@H](Nc1ncc(C(N)=O)cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] Cn1cc[nH+]c1[C@@H](Nc1ncc(cc1Cl)C(N)=O)[*:1]
CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nccc(C)n2)C1 Cc1ccnc(n1)[*:1] CCOc1ccccc1CNC(=O)[C@@H]1CCCN(C1)[*:1]
CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nccc(C)n2)C1 CCO[*:1] Cc1ccnc(n1)N1CCC[C@H](C1)C(=O)NCc1ccccc1[*:1]
CC(C)[NH+](CCCNC(=O)c1ccc2c(c1)CCC(=O)N2)C(C)C CC(C)[*:1] CC(C)[NH+](CCCNC(=O)c1ccc2NC(=O)CCc2c1)[*:1]
COc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc(OC)c1Br CC(C)[*:1] COc1cc(cc(OC)c1Br)C(=O)N[C@@H](c1nc2ccccc2[nH]1)[*:1]
COc1cc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc(OC)c1Br c1ccc2[nH]c(nc2c1)[*:1] COc1cc(cc(OC)c1Br)C(=O)N[C@@H](C(C)C)[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1 Cc1noc(C)c1C[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1cccnc1S[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(c1)[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1 Cc1noc(C)c1CS[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1cccnc1[*:1]
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1 Cc1noc(C)c1[*:1] O=C(Nc1cccc(c1)C(F)(F)F)c1cccnc1SC[*:1]
O=C(Cc1cc(F)ccc1F)N1CCc2c1cccc2[N+](=O)[O-] O=[N+]([O-])[*:1] O=C(Cc1cc(F)ccc1F)N1CCc2c1cccc2[*:1]
O=C(NC1CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 C1CC1[*:1] O=C(N[*:1])C(=O)N1CCN(CC1)c1ccc(F)cc1
O=C(NC1CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(NC1CC1)C(=O)N1CCN(CC1)[*:1]
O=S(=O)([N-]c1nccs1)c1ccc(/N=C/c2cccnc2)cc1 c1cncc(c1)[*:1] O=S(=O)([N-]c1nccs1)c1ccc(cc1)N=C[*:1]
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccnc1Cl Clc1ccc(cc1)[*:1] C[C@@H](C[*:1])N(C)C(=O)c1cccnc1Cl
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccnc1Cl Clc1ncccc1[*:1] C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[*:1]
CSc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CSc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCN(CC1)c1ccccc1)[*:1]
CSc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ccc(C)cc2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCN(CC1)[*:1])c1ccc(C)cc1
CSc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ccc(C)cc2)cc1 CSc1ccc(cc1)[*:1] Cc1ccc(cc1)N(CC(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)[*:1]
CC(=O)c1cccc(NC(=O)Cn2cc(I)cn2)c1 Ic1cnn(c1)[*:1] CC(=O)c1cccc(c1)NC(=O)C[*:1]
CC(=O)c1cccc(NC(=O)Cn2cc(I)cn2)c1 CC(=O)[*:1] O=C(Cn1cc(I)cn1)Nc1cccc(c1)[*:1]
CCNC(=O)c1cccc(NC(=O)N2CCc3sccc3C2)c1 CCNC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N1CCc2sccc2C1
CC(C)S(=O)(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1N CC(C)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c(N)c1)S(=O)(=O)[*:1]
CC(C)S(=O)(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1N CC(C)S(=O)(=O)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccc(c(N)c1)[*:1]
Cc1ccc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)cc1 Cc1ccc(cc1)[*:1] Cc1nc(SCC(=O)N[*:1])c2c(=O)n(C)c(=O)n(C)c2n1
O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)c1ccccc1NS(=O)(=O)[*:1]
O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 c1cc2OCOc2cc1[*:1] O=C(N[*:1])c1ccccc1NS(=O)(=O)c1ccc(F)cc1
C[C@@H](NC(=O)CN1C(=O)CNC1=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)CN1C(=O)CNC1=O)[*:1]
CN(Cc1nccn1C(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)n1ccnc1[*:1] CN(C[*:1])C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1
CN(Cc1nccn1C(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(Cc1nccn1C(F)F)C(=O)N[C@@H](CC(F)(F)F)[*:1]
CN(Cc1nccn1C(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)C[*:1] CN(Cc1nccn1C(F)F)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
CN(Cc1nccn1C(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)n1ccnc1C[*:1] CN(C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[*:1]
CN(Cc1nccn1C(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)[*:1] CN(Cc1nccn1[*:1])C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1
CN(Cc1nccn1C(F)F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 FC(F)(F)[*:1] CN(Cc1nccn1C(F)F)C(=O)N[C@@H](C[*:1])c1ccc(F)cc1
O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2c3c(c(=O)[nH]c2c1)CCC3 c1ccc(cc1)[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccc2c3CCCc3c(=O)[nH]c2c1
CC(C)NC(=O)Cc1ccc(NC(=O)c2ccsc2)cc1 CC(C)NC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])c1ccsc1
CC(C)NC(=O)Cc1ccc(NC(=O)c2ccsc2)cc1 CC(C)NC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccsc1
CC(C)NC(=O)Cc1ccc(NC(=O)c2ccsc2)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)NC(=O)c1ccsc1)N[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)c2ccsc2)cc1 c1cc(cs1)[*:1] CC(C)NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
O=C(CCc1cc(Cl)cs1)N1CCC[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1cc(Cl)cs1)N1CCC[C@@H]1[*:1]
O=C(CCc1cc(Cl)cs1)N1CCC[C@H]1c1ccccc1 Clc1csc(c1)[*:1] O=C(CC[*:1])N1CCC[C@H]1c1ccccc1
O=C(CCc1cc(Cl)cs1)N1CCC[C@H]1c1ccccc1 Clc1csc(c1)C[*:1] O=C(C[*:1])N1CCC[C@H]1c1ccccc1
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ccc(cc1)[*:1]
C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1cccc(Cl)c1 O=C([O-])[*:1] C[C@H](NC(=O)N1CC[C@@H]([C@@H]1C)[*:1])c1cccc(Cl)c1
C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@H]1[C@@H](CCN1C(=O)N[C@@H](C)[*:1])C(=O)[O-]
CCCC[C@H]1CN(C(=O)c2ccnn2C)Cc2ccccc2O1 CCCC[*:1] Cn1nccc1C(=O)N1Cc2ccccc2O[C@H](C1)[*:1]
CCCC[C@H]1CN(C(=O)c2ccnn2C)Cc2ccccc2O1 Cn1nccc1[*:1] CCCC[C@H]1CN(Cc2ccccc2O1)C(=O)[*:1]
CCCC[C@H]1CN(C(=O)c2ccnn2C)Cc2ccccc2O1 CCC[*:1] Cn1nccc1C(=O)N1Cc2ccccc2O[C@H](C1)C[*:1]
CN(Cc1ccccc1N1CCOCC1)C(=O)Nc1ccccn1 c1ccc(nc1)[*:1] CN(Cc1ccccc1N1CCOCC1)C(=O)N[*:1]
CN(Cc1ccccc1N1CCOCC1)C(=O)Nc1ccccn1 C1CN(CCO1)[*:1] CN(Cc1ccccc1[*:1])C(=O)Nc1ccccn1
O=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)NC1CCCC1 Fc1ccc(cc1F)[*:1] O=C(CSc1nccn(c1=O)[*:1])NC1CCCC1
O=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=c1c(nccn1-c1ccc(F)c(F)c1)SC[*:1]
O=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)N[*:1]
Cc1cc(-n2c(C)cc(C(=O)CN3CCC(O)CC3)c2C)no1 OC1CCN(CC1)[*:1] Cc1cc(no1)-n1c(C)cc(C(=O)C[*:1])c1C
Cc1cc(-n2c(C)cc(C(=O)CN3CCC(O)CC3)c2C)no1 Cc1cc(no1)[*:1] Cc1cc(C(=O)CN2CCC(O)CC2)c(C)n1[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N(C)CCOc2cccc(C)c2)cc1C Cc1cccc(c1)OC[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N(C)C[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N(C)CCOc2cccc(C)c2)cc1C Cc1cccc(c1)[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N(C)CCO[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N(C)CCOc2cccc(C)c2)cc1C Cc1cccc(c1)O[*:1] CC(=O)Nc1c(C)cc(cc1C)NC(=O)N(C)CC[*:1]
CC(=O)Nc1c(C)cc(NC(=O)N(C)CCOc2cccc(C)c2)cc1C CC(=O)N[*:1] Cc1cccc(c1)OCCN(C)C(=O)Nc1cc(C)c(c(C)c1)[*:1]
Cc1ncccc1NC(=O)c1ccccc1OCc1cscn1 c1nc(cs1)CO[*:1] Cc1ncccc1NC(=O)c1ccccc1[*:1]
Cc1ncccc1NC(=O)c1ccccc1OCc1cscn1 Cc1ncccc1[*:1] O=C(N[*:1])c1ccccc1OCc1cscn1
Cc1ncccc1NC(=O)c1ccccc1OCc1cscn1 c1nc(cs1)C[*:1] Cc1ncccc1NC(=O)c1ccccc1O[*:1]
Cc1ncccc1NC(=O)c1ccccc1OCc1cscn1 c1nc(cs1)[*:1] Cc1ncccc1NC(=O)c1ccccc1OC[*:1]
Cc1ccc2c(c1)CCN2C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 FC(F)(F)[*:1] Cc1ccc2c(c1)CCN2C(=O)[C@H]1CCc2[nH]nc(c2C1)[*:1]
CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@H](c1ccc(OC)c(O)c1)N(C)C2=O O=C([O-])[*:1] CCOc1cc2C(=O)N(C)[C@@H](c3ccc(OC)c(O)c3)[C@@H](c2cc1OCC)[*:1]
CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@H](c1ccc(OC)c(O)c1)N(C)C2=O CCO[*:1] CCOc1cc2C(=O)N(C)[C@@H](c3ccc(OC)c(O)c3)[C@@H](C(=O)[O-])c2cc1[*:1]
CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@H](c1ccc(OC)c(O)c1)N(C)C2=O COc1ccc(cc1O)[*:1] CCOc1cc2C(=O)N(C)[C@@H]([C@@H](C(=O)[O-])c2cc1OCC)[*:1]
CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@H](c1ccc(OC)c(O)c1)N(C)C2=O CCO[*:1] CCOc1cc2c(cc1[*:1])C(=O)N(C)[C@@H](c1ccc(OC)c(O)c1)[C@H]2C(=O)[O-]
Cc1c(NC(=O)N(C)Cc2cccc(C#N)c2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)N(C)Cc1cccc(C#N)c1
Cc1c(NC(=O)N(C)Cc2cccc(C#N)c2)cccc1[N+](=O)[O-] N#Cc1cccc(c1)[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)N(C)C[*:1]
O=C(c1cccc(OCC2CCCCC2)c1)N1CCc2nnc(-c3ccccn3)n2CC1 C1CCC(CC1)C[*:1] O=C(c1cccc(c1)O[*:1])N1CCc2nnc(-c3ccccn3)n2CC1
O=C(c1cccc(OCC2CCCCC2)c1)N1CCc2nnc(-c3ccccn3)n2CC1 C1CCC(CC1)[*:1] O=C(c1cccc(c1)OC[*:1])N1CCc2nnc(-c3ccccn3)n2CC1
O=C(c1cccc(OCC2CCCCC2)c1)N1CCc2nnc(-c3ccccn3)n2CC1 C1CCC(CC1)CO[*:1] O=C(c1cccc(c1)[*:1])N1CCc2nnc(-c3ccccn3)n2CC1
O=C(c1cccc(OCC2CCCCC2)c1)N1CCc2nnc(-c3ccccn3)n2CC1 c1ccc(nc1)[*:1] O=C(c1cccc(c1)OCC1CCCCC1)N1CCc2nnc(n2CC1)[*:1]
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)/N=c2/sccn2C)cc1 Cn1ccs/c1=N/C(=O)[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(cc1)[*:1]
O=C(OC[C@H]1CCCO1)c1ccc(COc2ccc(F)cc2)o1 C1CO[C@H](C1)[*:1] O=C(OC[*:1])c1ccc(COc2ccc(F)cc2)o1
O=C(OC[C@H]1CCCO1)c1ccc(COc2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C(OC[C@H]1CCCO1)c1ccc(CO[*:1])o1
CCc1ccsc1C(=O)N1CCC[C@H]1c1cc(C)on1 Cc1cc(no1)[*:1] CCc1ccsc1C(=O)N1CCC[C@@H]1[*:1]
CCc1nn(C)cc1CNC[C@@H](O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CCc1nn(C)cc1CNC[C@@H](O)[*:1]
Cc1cccc(CCC(=O)[C@@H](C#N)c2nc(C)cc(C)n2)c1 Cc1cccc(c1)[*:1] Cc1cc(C)nc(n1)[C@H](C#N)C(=O)CC[*:1]
CN(C(=O)Nc1cnn(C(C)(C)C)c1)[C@@H]1CCC[C@@H]1S(C)(=O)=O CS(=O)(=O)[*:1] CN(C(=O)Nc1cnn(c1)C(C)(C)C)[C@@H]1CCC[C@H]1[*:1]
CN(C(=O)Nc1cnn(C(C)(C)C)c1)[C@@H]1CCC[C@@H]1S(C)(=O)=O CC(C)(C)[*:1] CN(C(=O)Nc1cnn(c1)[*:1])[C@@H]1CCC[C@@H]1S(C)(=O)=O
C[C@](O)(CNC(=O)Cc1ccccc1Cl)c1ccccc1 c1ccc(cc1)[*:1] C[C@](O)(CNC(=O)Cc1ccccc1Cl)[*:1]
C[C@](O)(CNC(=O)Cc1ccccc1Cl)c1ccccc1 Clc1ccccc1[*:1] C[C@](O)(CNC(=O)C[*:1])c1ccccc1
O=C([O-])C[NH+]1CCC2(CC1)CC(=O)N2 O=C([O-])C[*:1] O=C1CC2(CC[NH+](CC2)[*:1])N1
O=C([O-])C[NH+]1CCC2(CC1)CC(=O)N2 O=C([O-])[*:1] O=C1CC2(CC[NH+](CC2)C[*:1])N1
Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)[nH]c(=O)c2c1C NC(=O)C1CCN(CC1)[*:1] Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccccc3[*:1])[nH]c(=O)c2c1C
Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)[nH]c(=O)c2c1C NC(=O)[*:1] Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccccc3N3CCC(CC3)[*:1])[nH]c(=O)c2c1C
Cc1ccnc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 c1ccc(cc1)C[*:1] Cc1ccnc(c1)NC(=O)[C@H](N1C(=O)c2ccccc2C1=O)[*:1]
Cc1ccnc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 c1ccc(cc1)[*:1] Cc1ccnc(c1)NC(=O)[C@H](C[*:1])N1C(=O)c2ccccc2C1=O
Cc1ccnc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 Cc1ccnc(c1)[*:1] O=C(N[*:1])[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
CC[C@](C)([NH3+])C(=O)N(Cc1ccccc1)CC(F)(F)F FC(F)(F)[*:1] CC[C@](C)([NH3+])C(=O)N(Cc1ccccc1)C[*:1]
CC[C@](C)([NH3+])C(=O)N(Cc1ccccc1)CC(F)(F)F FC(F)(F)C[*:1] CC[C@](C)([NH3+])C(=O)N(Cc1ccccc1)[*:1]
CC[C@](C)([NH3+])C(=O)N(Cc1ccccc1)CC(F)(F)F c1ccc(cc1)[*:1] CC[C@](C)([NH3+])C(=O)N(CC(F)(F)F)C[*:1]
CCC1(CC)CCN(c2nc(C(C)C)c(C(=O)[O-])s2)C1 CC(C)[*:1] CCC1(CC)CCN(C1)c1nc(c(s1)C(=O)[O-])[*:1]
CCC1(CC)CCN(c2nc(C(C)C)c(C(=O)[O-])s2)C1 O=C([O-])[*:1] CCC1(CC)CCN(C1)c1nc(c(s1)[*:1])C(C)C
CCOc1cc(C)ccc1OCC(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 CCOc1cc(C)ccc1[*:1] O=C(CO[*:1])N1CCC[C@@H](C1)c1cc(C(F)F)n2ncnc2n1
CCOc1cc(C)ccc1OCC(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 CCO[*:1] Cc1ccc(OCC(=O)N2CCC[C@@H](C2)c2cc(C(F)F)n3ncnc3n2)c(c1)[*:1]
CCOc1cc(C)ccc1OCC(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 FC(F)[*:1] CCOc1cc(C)ccc1OCC(=O)N1CCC[C@@H](C1)c1cc(n2ncnc2n1)[*:1]
CCOCCN(CC)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C CCOCC[*:1] CCN(C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C)[*:1]
CCOCCN(CC)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C CCO[*:1] CCN(CC[*:1])C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C
CCOCCN(CC)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C CCOC[*:1] CCN(C[*:1])C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C
Cc1ccccc1-c1cccc(N2CCC([NH2+]CC3CC[NH2+]CC3)CC2)c1 Cc1ccccc1[*:1] c1cc(cc(c1)[*:1])N1CCC(CC1)[NH2+]CC1CC[NH2+]CC1
CCOC(=O)N1CCC[C@H](C(=O)NNS(=O)(=O)c2ccccc2)C1 c1ccc(cc1)[*:1] CCOC(=O)N1CCC[C@@H](C1)C(=O)NNS(=O)(=O)[*:1]
O=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(NNC(=O)C1(CC1)c1ccc(F)cc1)c1ccc(cc1)[*:1]
O=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(-n2cnnn2)cc1 Fc1ccc(cc1)[*:1] O=C(NNC(=O)C1(CC1)[*:1])c1ccc(cc1)-n1cnnn1
C[C@H](C(=O)N1CCN(CCO)CC1)n1c(=O)oc2ccccc21 OCC[*:1] C[C@H](C(=O)N1CCN(CC1)[*:1])n1c(=O)oc2ccccc21
Cc1ccccc1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 Cc1ccccc1[*:1] [NH2+]=C1Nc2nc3ccccc3n2[C@@H](N1)[*:1]
Cc1ccccc1OCC(=O)NC[C@](O)(c1cccs1)C(F)(F)F Cc1ccccc1O[*:1] O=C(C[*:1])NC[C@](O)(c1cccs1)C(F)(F)F
Cc1ccccc1OCC(=O)NC[C@](O)(c1cccs1)C(F)(F)F Cc1ccccc1[*:1] O=C(CO[*:1])NC[C@](O)(c1cccs1)C(F)(F)F
Cc1ccccc1OCC(=O)NC[C@](O)(c1cccs1)C(F)(F)F FC(F)(F)[*:1] Cc1ccccc1OCC(=O)NC[C@](O)(c1cccs1)[*:1]
Cc1ccccc1OCC(=O)NC[C@](O)(c1cccs1)C(F)(F)F c1csc(c1)[*:1] Cc1ccccc1OCC(=O)NC[C@](O)(C(F)(F)F)[*:1]
COc1ccccc1-c1noc2ncnc(N3CCCC[C@@H]3C)c12 C[C@H]1CCCCN1[*:1] COc1ccccc1-c1noc2ncnc(c12)[*:1]
COc1ccccc1-c1noc2ncnc(N3CCCC[C@@H]3C)c12 COc1ccccc1[*:1] C[C@H]1CCCCN1c1ncnc2onc(c12)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)N(Cc2ccncc2)C2CC2)c1 c1cc(ccn1)C[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)N(C1CC1)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)N(Cc2ccncc2)C2CC2)c1 CN(C)C(=O)[*:1] O=C(Nc1cc(ccc1F)[*:1])N(Cc1ccncc1)C1CC1
CN(C)C(=O)c1ccc(F)c(NC(=O)N(Cc2ccncc2)C2CC2)c1 C1CC1[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)N(Cc1ccncc1)[*:1]
CN(C)C(=O)c1ccc(F)c(NC(=O)N(Cc2ccncc2)C2CC2)c1 c1cc(ccn1)[*:1] CN(C)C(=O)c1ccc(F)c(c1)NC(=O)N(C[*:1])C1CC1
Cc1ccc([C@H]2c3cccn3CCN2CC(=O)NCc2ccco2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@H]1c2cccn2CCN1CC(=O)NC[*:1]
Cc1ccc([C@H]2c3cccn3CCN2CC(=O)NCc2ccco2)cc1 c1coc(c1)C[*:1] Cc1ccc(cc1)[C@H]1c2cccn2CCN1CC(=O)N[*:1]
Cc1ccc([C@H]2c3cccn3CCN2CC(=O)NCc2ccco2)cc1 Cc1ccc(cc1)[*:1] O=C(CN1CCn2cccc2[C@@H]1[*:1])NCc1ccco1
COc1cc(C2(C(=O)NCC(C)(C)C(N)=O)CC2)ccc1C CC(C)(C(N)=O)[*:1] COc1cc(ccc1C)C1(CC1)C(=O)NC[*:1]
COc1cc(C2(C(=O)NCC(C)(C)C(N)=O)CC2)ccc1C NC(=O)[*:1] COc1cc(ccc1C)C1(CC1)C(=O)NCC(C)(C)[*:1]
COc1cc(C2(C(=O)NCC(C)(C)C(N)=O)CC2)ccc1C CC(C)(C[*:1])C(N)=O COc1cc(ccc1C)C1(CC1)C(=O)N[*:1]
O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[*:1]
O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[*:1]
C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)CC1CCC1 O=C(CC1CCC1)N[*:1] C[C@@H](CC(=O)Nc1cccc(c1)N1CCCC1)[*:1]
C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)CC1CCC1 C1CC(C1)[*:1] C[C@@H](CC(=O)Nc1cccc(c1)N1CCCC1)NC(=O)C[*:1]
C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)CC1CCC1 C1CC(C1)C[*:1] C[C@@H](CC(=O)Nc1cccc(c1)N1CCCC1)NC(=O)[*:1]
C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)CC1CCC1 C1CCN(C1)[*:1] C[C@@H](CC(=O)Nc1cccc(c1)[*:1])NC(=O)CC1CCC1
CCSc1cc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)ccn1 CCS[*:1] CS(=O)(=O)[C@H]1CSCCN1C(=O)c1ccnc(c1)[*:1]
CCSc1cc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)ccn1 CS(=O)(=O)[*:1] CCSc1cc(ccn1)C(=O)N1CCSC[C@H]1[*:1]
CC1(C)C(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1(C)C O=C([O-])[*:1] CC1(C)C(C(=O)Nc2ccc(cc2)C[*:1])C1(C)C
CC1(C)C(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1(C)C O=C([O-])C[*:1] CC1(C)C(C(=O)Nc2ccc(cc2)[*:1])C1(C)C
N#Cc1csc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 N#Cc1csc(c1)[*:1] N#C[C@@H](c1ccccc1)N1CCN(CC1)C(=O)[*:1]
N#Cc1csc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] N#Cc1csc(c1)C(=O)N1CCN(CC1)[C@@H](C#N)[*:1]
O=C(NC[C@H](O)C1CCOCC1)Nc1ccnn1C1CCCCC1 C1CCC(CC1)[*:1] O=C(NC[C@H](O)C1CCOCC1)Nc1ccnn1[*:1]
O=C(NC[C@H](O)C1CCOCC1)Nc1ccnn1C1CCCCC1 C1CC(CCO1)[*:1] O=C(NC[C@H](O)[*:1])Nc1ccnn1C1CCCCC1
Cc1n[nH]c(=O)nc1N/N=C/c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cc1n[nH]c(=O)nc1N/N=C/c1ccc(cc1)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)NCCc2cccs2)c1 c1csc(c1)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)NCC[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)NCCc2cccs2)c1 c1csc(c1)C[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)NC[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)NCCc2cccs2)c1 CNC(=O)[*:1] O=C(NCCc1cccs1)Nc1cc(ccc1Cl)[*:1]
CNC(=O)c1ccc(Cl)c(NC(=O)NCCc2cccs2)c1 c1csc(c1)CC[*:1] CNC(=O)c1ccc(Cl)c(c1)NC(=O)N[*:1]
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCN(C[C@H]2CCCO2)CC1 C1CO[C@H](C1)C[*:1] Cc1cc2c(CC(C)(C)C[C@@H]2NC(=O)N2CCN(CC2)[*:1])o1
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCN(C[C@H]2CCCO2)CC1 C1CO[C@H](C1)[*:1] Cc1cc2c(CC(C)(C)C[C@@H]2NC(=O)N2CCN(CC2)C[*:1])o1
Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)no1 Cc1cc(no1)[*:1] Cc1ccc(cc1C)S(=O)(=O)N1CCC[C@H]1[*:1]
Cc1nc(CN2CCN(Cc3cc(=O)c4c(C)ccc(C)c4[nH]3)CC2)cs1 Cc1nc(cs1)C[*:1] Cc1ccc(C)c2c(=O)cc(CN3CCN(CC3)[*:1])[nH]c12
Cc1nc(CN2CCN(Cc3cc(=O)c4c(C)ccc(C)c4[nH]3)CC2)cs1 Cc1nc(cs1)[*:1] Cc1ccc(C)c2c(=O)cc(CN3CCN(CC3)C[*:1])[nH]c12
Cc1cc(OCc2nc(-c3ccncc3)no2)ccc1Br c1cc(ccn1)[*:1] Cc1cc(ccc1Br)OCc1nc(no1)[*:1]
CCC(C)(C)N(C)C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 CCC(C)(C)[*:1] CN(C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)[*:1]
COc1ccc(Cl)c(NNC(=O)NCc2nc(C(C)(C)C)cs2)c1 CC(C)(C)[*:1] COc1ccc(Cl)c(c1)NNC(=O)NCc1nc(cs1)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1cc(C)oc1C Cc1cc(c(C)o1)[*:1] CCCCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1cc(C)oc1C CCC[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[*:1]
CCCCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1cc(C)oc1C CCCC[*:1] Cc1cc(c(C)o1)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)[*:1]
O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCc1cn2ccccc2n1 c1ccc(cc1)[*:1] O=C(Cn1c(cc2ccccc21)[*:1])NCc1cn2ccccc2n1
O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCc1cn2ccccc2n1 c1ccn2cc(nc2c1)[*:1] O=C(Cn1c(cc2ccccc21)-c1ccccc1)NC[*:1]
Cc1ccc(CNc2ccc(CS(=O)(=O)C(C)C)cc2)nc1 Cc1ccc(nc1)[*:1] CC(C)S(=O)(=O)Cc1ccc(cc1)NC[*:1]
Cc1ccc(CNc2ccc(CS(=O)(=O)C(C)C)cc2)nc1 CC(C)[*:1] Cc1ccc(CNc2ccc(cc2)CS(=O)(=O)[*:1])nc1
Cc1ccc(CNc2ccc(CS(=O)(=O)C(C)C)cc2)nc1 CC(C)S(=O)(=O)[*:1] Cc1ccc(CNc2ccc(cc2)C[*:1])nc1
Cc1ccc(CNc2ccc(CS(=O)(=O)C(C)C)cc2)nc1 CC(C)S(=O)(=O)C[*:1] Cc1ccc(CNc2ccc(cc2)[*:1])nc1
CC(=O)N1c2ccc(S(=O)(=O)NCCC(c3ccccc3)c3ccccc3)cc2C[C@@H]1C c1ccc(cc1)[*:1] CC(=O)N1c2ccc(cc2C[C@@H]1C)S(=O)(=O)NCCC(c1ccccc1)[*:1]
O=C1CCCC2=C1[C@@H](c1ncc[nH]1)c1c([nH]n(-c3ccccc3)c1=O)N2 c1c[nH]c(n1)[*:1] O=C1CCCC2Nc3[nH]n(-c4ccccc4)c(=O)c3[C@H](C=21)[*:1]
O=C1CCCC2=C1[C@@H](c1ncc[nH]1)c1c([nH]n(-c3ccccc3)c1=O)N2 c1ccc(cc1)[*:1] O=C1CCCC2Nc3[nH]n(c(=O)c3[C@@H](C=21)c1ncc[nH]1)[*:1]
C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1cccc(c1)O[*:1]
C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1cccc(c1)[*:1]
O=C(Nc1ccc(F)cc1Cl)N(CCCO)[C@H]1CCc2ccccc21 OCCC[*:1] O=C(Nc1ccc(F)cc1Cl)N([C@H]1CCc2ccccc21)[*:1]
O=C(Nc1ccc(F)cc1Cl)N(CCCO)[C@H]1CCc2ccccc21 OCC[*:1] O=C(Nc1ccc(F)cc1Cl)N(C[*:1])[C@H]1CCc2ccccc21
O=C(Nc1ccc(F)cc1Cl)N(CCCO)[C@H]1CCc2ccccc21 Fc1ccc(c(Cl)c1)[*:1] O=C(N[*:1])N(CCCO)[C@H]1CCc2ccccc21
Cc1oc(-c2cccs2)nc1C(=O)N(C)C[C@@H]1CCC[C@H]1O c1csc(c1)[*:1] Cc1oc(nc1C(=O)N(C)C[C@@H]1CCC[C@H]1O)[*:1]
CC(C)C[C@@H](CCO)CNS(N)(=O)=O OCC[*:1] CC(C)C[C@@H](CNS(N)(=O)=O)[*:1]
CC(C)C[C@@H](CCO)CNS(N)(=O)=O CC(C)C[*:1] NS(=O)(=O)NC[C@H](CCO)[*:1]
CC(C)C[C@@H](CCO)CNS(N)(=O)=O CC(C)[*:1] NS(=O)(=O)NC[C@H](CCO)C[*:1]
Cc1ccccc1[C@H](C)NC(=O)N(C)CC(=O)N1CCOCC1 Cc1ccccc1[*:1] C[C@H](NC(=O)N(C)CC(=O)N1CCOCC1)[*:1]
O=C([O-])[C@H]1C[NH2+]CCN1c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] O=C([O-])[C@H]1C[NH2+]CCN1c1ncc(cc1Cl)[*:1]
O=C([O-])[C@H]1C[NH2+]CCN1c1ncc(C(F)(F)F)cc1Cl O=C([O-])[*:1] FC(F)(F)c1cnc(c(Cl)c1)N1CC[NH2+]C[C@@H]1[*:1]
CCCc1ccc(OC(=O)Cn2nc3n(c2=O)CCCCC3)cc1 CCC[*:1] O=C(Cn1nc2CCCCCn2c1=O)Oc1ccc(cc1)[*:1]
CC(C)[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1F CC(C)[*:1] Cn1cc(C[NH2+][*:1])c(n1)-c1ccc(F)cc1F
Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1 CC(C)NC(=O)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1 Cc1cccc(c1)[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)[C@H](C)O[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1 CC(C)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1 Cc1cccc(c1)O[*:1] CC(C)NC(=O)c1ccc(cc1)NC(=O)[C@H](C)[*:1]
COC(=O)CCCSc1ccc(N)cc1F COC(=O)[*:1] Nc1ccc(SCCC[*:1])c(F)c1
COC(=O)CCCSc1ccc(N)cc1F COC(=O)C[*:1] Nc1ccc(SCC[*:1])c(F)c1
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cn2)c1 Brc1ccc(nc1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N[*:1]
CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)C1 CC(C)C[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)c1ccc(cc1)O[*:1]
CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)C1 CC(C)[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)c1ccc(cc1)OC[*:1]
CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)C1 CC(C)CO[*:1] CC(=O)N1CC[C@@H](C1)[NH2+][C@@H](C)c1ccc(cc1)[*:1]
O=C(NCCNc1ccc2cccc(Br)c2n1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(NCCNc1ccc2cccc(Br)c2n1)[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc(-n2ccnn2)cc1 Cc1ccccc1O[*:1] C[C@@H](CNC(=O)c1ccc(cc1)-n1ccnn1)[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc(-n2ccnn2)cc1 Cc1ccccc1[*:1] C[C@@H](CNC(=O)c1ccc(cc1)-n1ccnn1)O[*:1]
Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc(cc1)[*:1]
O=C(Nn1cnc2ccccc2c1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 O=S(=O)(N1CCCCC1)[*:1] O=C(Nn1cnc2ccccc2c1=O)c1cccc(c1)[*:1]
Cc1nn2c(N)c(-c3nc4ccccc4[nH]3)cnc2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1nn2c(N)c(cnc2c1[*:1])-c1nc2ccccc2[nH]1
O=C(CCc1nc(C2CC2)no1)N[C@@H](c1ccccc1)c1cccc(F)c1 C1CC1[*:1] O=C(CCc1nc(no1)[*:1])N[C@@H](c1ccccc1)c1cccc(F)c1
O=C(CCc1nc(C2CC2)no1)N[C@@H](c1ccccc1)c1cccc(F)c1 c1ccc(cc1)[*:1] O=C(CCc1nc(no1)C1CC1)N[C@@H](c1cccc(F)c1)[*:1]
O=C(CCc1nc(C2CC2)no1)N[C@@H](c1ccccc1)c1cccc(F)c1 C1CC1c1noc(n1)[*:1] O=C(CC[*:1])N[C@@H](c1ccccc1)c1cccc(F)c1
O=C(CCc1nc(C2CC2)no1)N[C@@H](c1ccccc1)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CCc1nc(no1)C1CC1)N[C@@H](c1ccccc1)[*:1]
O=C(CCc1nc(C2CC2)no1)N[C@@H](c1ccccc1)c1cccc(F)c1 C1CC1c1noc(C[*:1])n1 O=C(C[*:1])N[C@@H](c1ccccc1)c1cccc(F)c1
S=C(NCCc1ccccc1)N/N=C/c1cccc(Br)c1 Brc1cccc(c1)[*:1] S=C(NCCc1ccccc1)NN=C[*:1]
S=C(NCCc1ccccc1)N/N=C/c1cccc(Br)c1 c1ccc(cc1)[*:1] S=C(NCC[*:1])N/N=C/c1cccc(Br)c1
S=C(NCCc1ccccc1)N/N=C/c1cccc(Br)c1 c1ccc(cc1)C[*:1] S=C(NC[*:1])N/N=C/c1cccc(Br)c1
O=C(CN(Cc1cncs1)C[C@H]1CCCO1)N1CCCC1 C1CO[C@H](C1)C[*:1] O=C(CN(Cc1cncs1)[*:1])N1CCCC1
O=C(CN(Cc1cncs1)C[C@H]1CCCO1)N1CCCC1 c1ncc(s1)[*:1] O=C(CN(C[C@H]1CCCO1)C[*:1])N1CCCC1
O=C(CN(Cc1cncs1)C[C@H]1CCCO1)N1CCCC1 O=C(N1CCCC1)[*:1] c1ncc(CN(C[C@H]2CCCO2)C[*:1])s1
O=C(CN(Cc1cncs1)C[C@H]1CCCO1)N1CCCC1 C1CO[C@H](C1)[*:1] O=C(CN(Cc1cncs1)C[*:1])N1CCCC1
O=C(CN(Cc1cncs1)C[C@H]1CCCO1)N1CCCC1 c1ncc(C[*:1])s1 O=C(CN(C[C@H]1CCCO1)[*:1])N1CCCC1
CN(CC(=O)NCC(F)(F)F)C(=O)c1nnn[n-]1 FC(F)(F)[*:1] CN(CC(=O)NC[*:1])C(=O)c1nnn[n-]1
CN(CC(=O)NCC(F)(F)F)C(=O)c1nnn[n-]1 FC(F)(F)C[*:1] CN(CC(=O)N[*:1])C(=O)c1nnn[n-]1
CCCC[C@H]1CCC[C@H]1NC(=O)N(C)CC CCC[*:1] CCN(C)C(=O)N[C@@H]1CCC[C@@H]1C[*:1]
CCCC[C@H]1CCC[C@H]1NC(=O)N(C)CC CCCC[*:1] CCN(C)C(=O)N[C@@H]1CCC[C@@H]1[*:1]
CCc1cc2c(N3CCC(C(=O)NCCOC)CC3)ncnc2s1 COCCNC(=O)[*:1] CCc1cc2c(ncnc2s1)N1CCC(CC1)[*:1]
CCc1cc2c(N3CCC(C(=O)NCCOC)CC3)ncnc2s1 COCC[*:1] CCc1cc2c(ncnc2s1)N1CCC(CC1)C(=O)N[*:1]
CCc1cc2c(N3CCC(C(=O)NCCOC)CC3)ncnc2s1 COC[*:1] CCc1cc2c(ncnc2s1)N1CCC(CC1)C(=O)NC[*:1]
COC(=O)[C@@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)OCO2 COC(=O)[*:1] O=C(c1ccc2OCOc2c1)N1CCc2sccc2[C@H]1[*:1]
CC(=O)c1ccc(OCC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 O=[N+]([O-])[*:1] CC(=O)c1ccc(cc1)OCC(=O)Nc1n[nH]c2ccc(cc12)[*:1]
CC(=O)c1ccc(OCC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 CC(=O)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1n[nH]c2ccc(cc12)[N+](=O)[O-]
CCOCCCC1(C(C)C)C[NH2+]C1 CCOC[*:1] CC(C)C1(CC[*:1])C[NH2+]C1
CCOCCCC1(C(C)C)C[NH2+]C1 CCO[*:1] CC(C)C1(CCC[*:1])C[NH2+]C1
CCOCCCC1(C(C)C)C[NH2+]C1 CC(C)[*:1] CCOCCCC1(C[NH2+]C1)[*:1]
Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H]4CC[C@H]([NH+](C)C)C4)cc3)o2)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@H]1CC[C@H](C1)NC(=O)c1ccc(cc1)-c1nnc(o1)[*:1]
Cc1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C Cc1cccc(c1C)[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)N1CCCCC1)N[*:1]
Cc1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C O=S(=O)(N1CCCCC1)[*:1] Cc1cccc(NC(=O)Cc2ccc(cc2)[*:1])c1C
Cc1nc2ccccc2c2oc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc12 Fc1ccccc1[*:1] Cc1nc2ccccc2c2oc(cc12)C(=O)NCCC[NH+]1CCN(CC1)[*:1]
C[C@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccncc1 O=C1CCCN1[*:1] C[C@H](NC(=O)CNC(=O)c1ccc(cc1)[*:1])c1ccncc1
C[C@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H](NC(=O)CNC(=O)c1ccc(cc1)N1CCCC1=O)[*:1]
COc1ccc2c(c1)CCCN2C(=O)[C@H](C)n1nc(C)cc1C Cc1cc(C)n(n1)[*:1] COc1ccc2c(c1)CCCN2C(=O)[C@H](C)[*:1]
COc1ccccc1O[C@@H](C)CNC(=O)c1ncoc1[C@H]1CCCO1 COc1ccccc1[*:1] C[C@@H](CNC(=O)c1ncoc1[C@H]1CCCO1)O[*:1]
COc1ccc([C@H](C)NC(=O)Nc2ccccc2)cc1Br c1ccc(cc1)[*:1] COc1ccc(cc1Br)[C@H](C)NC(=O)N[*:1]
CSCc1cc(F)ccc1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 CSC[*:1] C[NH+](C)[C@@H]1CCC[C@H](C1)NC(=O)NCc1ccc(F)cc1[*:1]
CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)N[C@H]3CCOC(C)(C)C3)c21 c1ccc(cc1)[*:1] CCn1c(C)nc2cc(cc(C(=O)N[C@H]3CCOC(C)(C)C3)c21)NS(=O)(=O)[*:1]
CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)N[C@H]3CCOC(C)(C)C3)c21 O=S(=O)(N[*:1])c1ccccc1 CCn1c(C)nc2cc(cc(C(=O)N[C@H]3CCOC(C)(C)C3)c21)[*:1]
O=c1n(CCSCc2ccccc2F)nc2ccccn12 Fc1ccccc1[*:1] O=c1n(CCSC[*:1])nc2ccccn12
NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 NC(=O)[*:1] c1coc(c1)Cn1c(nnc1-c1ccco1)SC[*:1]
NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 c1coc(c1)[*:1] NC(=O)CSc1nnc(n1Cc1ccco1)[*:1]
NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 c1coc(c1)[*:1] NC(=O)CSc1nnc(-c2ccco2)n1C[*:1]
NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 NC(=O)CS[*:1] c1coc(c1)Cn1c(nnc1[*:1])-c1ccco1
NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 c1coc(c1)C[*:1] NC(=O)CSc1nnc(-c2ccco2)n1[*:1]
NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 NC(=O)C[*:1] c1coc(c1)Cn1c(nnc1-c1ccco1)S[*:1]
C[C@H](CCO)CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 C[C@H](CCO)[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)NC[*:1]
C[C@H](CCO)CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 OCC[*:1] C[C@H](CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
C[C@H](CCO)CNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 C[C@H](CCO)C[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N[*:1]
[NH3+]CCNC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2 [NH3+]CC[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)N[*:1]
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](O1)[*:1])C(=O)c1cc(ccc1Cl)[N+](=O)[O-]
C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](c2ccccc2)O1 O=[N+]([O-])[*:1] C[C@@H]1CN(C[C@H](O1)c1ccccc1)C(=O)c1cc(ccc1Cl)[*:1]
CCCCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O CCCC[*:1] O=C1S/C(=C/c2cccc(c2)[N+](=O)[O-])C(=O)N1[*:1]
CCCCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O O=[N+]([O-])[*:1] CCCCN1C(=O)S/C(=C/c2cccc(c2)[*:1])C1=O
CCCCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O CCC[*:1] O=C1S/C(=C/c2cccc(c2)[N+](=O)[O-])C(=O)N1C[*:1]
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccc(OC(C)C)cc1 c1coc(c1)[*:1] CCN1C(=O)C([O-])=C(C(=O)C=C[*:1])[C@H]1c1ccc(cc1)OC(C)C
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccc(OC(C)C)cc1 CC(C)O[*:1] CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccc(cc1)[*:1]
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccc(OC(C)C)cc1 CC(C)[*:1] CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccc(cc1)O[*:1]
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccc(OC(C)C)cc1 C(=C[*:1])c1ccco1 CCN1C(=O)C([O-])=C(C(=O)[*:1])[C@H]1c1ccc(cc1)OC(C)C
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccc(OC(C)C)cc1 O=C(/C=C/c1ccco1)[*:1] CCN1C(=O)C([O-])=C([C@H]1c1ccc(cc1)OC(C)C)[*:1]
COc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)cc1OC COc1ccc(cc1OC)[*:1] O=C(CSc1nnc2c(=O)n(ccn12)-c1ccccc1)[*:1]
COc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)CSc1nnc2c(=O)n(ccn12)[*:1]
CO[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)C1 C1CCN(C1)[*:1] CO[C@@H]1CCCN(C1)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
CO[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)C1 FC(F)(F)[*:1] CO[C@@H]1CCCN(C1)C(=O)Nc1cc(ccc1N1CCCC1)[*:1]
COC[C@@H](C)OC(=O)c1oc(C)cc1C COC[C@@H](C)[*:1] Cc1cc(C)c(o1)C(=O)O[*:1]
COC[C@@H](C)OC(=O)c1oc(C)cc1C COC[*:1] Cc1cc(C)c(o1)C(=O)O[C@H](C)[*:1]
O=C(NO[C@H]1CCCCO1)c1ccc(Cl)cc1F C1CC[C@@H](OC1)[*:1] O=C(NO[*:1])c1ccc(Cl)cc1F
O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCCCN1CCOCC1 C1CN(CCO1)[*:1] O=C(CN1N=C(CCC1=O)c1ccc(Cl)cc1)NCCC[*:1]
O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCCCN1CCOCC1 C(CN1CCOCC1)C[*:1] O=C(CN1N=C(CCC1=O)c1ccc(Cl)cc1)N[*:1]
O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] O=C(CN1N=C(CCC1=O)c1ccc(Cl)cc1)NCC[*:1]
O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCCCN1CCOCC1 C1CN(CCO1)CC[*:1] O=C(CN1N=C(CCC1=O)c1ccc(Cl)cc1)NC[*:1]
O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCCCN1CCOCC1 Clc1ccc(cc1)[*:1] O=C(CN1N=C(CCC1=O)[*:1])NCCCN1CCOCC1
O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCN(CC1)[*:1]
O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCN(c2cnccn2)CC1 Clc1ccc(cc1)[*:1] O=C(C[C@H](O)[*:1])N1CCN(CC1)c1cnccn1
OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccccc2Br)C1 c1csc(c1)C[*:1] OC1C[C@H](c2ccccc2Br)c2cnn(c2N=1)[*:1]
OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccccc2Br)C1 c1csc(c1)[*:1] OC1C[C@H](c2ccccc2Br)c2cnn(C[*:1])c2N=1
OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccccc2Br)C1 Brc1ccccc1[*:1] OC1C[C@H](c2cnn(Cc3cccs3)c2N=1)[*:1]
CCNS(=O)(=O)c1ccc(CCC(=O)NC2CCCC2)cc1 C1CCC(C1)[*:1] CCNS(=O)(=O)c1ccc(cc1)CCC(=O)N[*:1]
CCNS(=O)(=O)c1ccc(CCC(=O)NC2CCCC2)cc1 CCNS(=O)(=O)[*:1] O=C(CCc1ccc(cc1)[*:1])NC1CCCC1
COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nnc(-c2ccco2)o1 c1coc(c1)[*:1] COc1ccc(cc1NC(=O)CSc1nnc(o1)[*:1])C(C)(C)C
COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nnc(-c2ccco2)o1 CC(C)(C)[*:1] COc1ccc(cc1NC(=O)CSc1nnc(o1)-c1ccco1)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1C c1coc(c1)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)NC[C@@H]([NH+](C)C)[*:1]
Cn1c(=O)c2ccccc2n2c(COC(=O)c3cc(S(C)(=O)=O)ccc3Cl)nnc12 CS(=O)(=O)[*:1] Cn1c(=O)c2ccccc2n2c(COC(=O)c3cc(ccc3Cl)[*:1])nnc12
C#CCN(CC#C)C(=O)Cc1ccc(OCC)cc1 CCO[*:1] C#CCN(CC#C)C(=O)Cc1ccc(cc1)[*:1]
C#CCN(CC#C)C(=O)Cc1ccc(OCC)cc1 C#CC[*:1] C#CCN(C(=O)Cc1ccc(cc1)OCC)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)/C=C/c1cccc(c1)[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 c1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Nc1ccccc1)[C@H]1CCCN(C1)C(=O)C=C[*:1]
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 O=C(Nc1ccccc1)[*:1] O=C(/C=C/c1cccc(c1)[N+](=O)[O-])N1CCC[C@@H](C1)[*:1]
CCCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C#N)cn1 CCC[*:1] N#Cc1ccc(Cl)cc1NC(=O)Cn1cnc(cc1=O)[*:1]
CCC[NH2+][C@H](c1ccc(Br)cc1C)[C@H](C)c1ccccn1 CCC[*:1] Cc1cc(Br)ccc1[C@@H]([NH2+][*:1])[C@H](C)c1ccccn1
CCC[NH2+][C@H](c1ccc(Br)cc1C)[C@H](C)c1ccccn1 c1ccc(nc1)[*:1] CCC[NH2+][C@H](c1ccc(Br)cc1C)[C@H](C)[*:1]
C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccco1 c1coc(c1)[*:1] C[C@@H]([NH2+][C@H]1CC[C@@H](C1)NC(=O)OC(C)(C)C)[*:1]
C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccco1 CC(C)(C)[*:1] C[C@@H]([NH2+][C@H]1CC[C@@H](C1)NC(=O)O[*:1])c1ccco1
C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccco1 C[C@@H](c1ccco1)[*:1] CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C1)[NH2+][*:1]
FC(F)(F)[C@@]1(c2cccnc2)CCCN1 FC(F)(F)[*:1] c1cncc(c1)[C@]1(CCCN1)[*:1]
NC1=[NH+][C@@H](c2cccs2)n2c(nc3ccccc32)N1 c1csc(c1)[*:1] NC1Nc2nc3ccccc3n2[C@H]([NH+]=1)[*:1]
Cc1ccc([C@H](C)NC(=O)CCNC(=O)C2CCCCC2)cc1F C1CCC(CC1)[*:1] Cc1ccc(cc1F)[C@H](C)NC(=O)CCNC(=O)[*:1]
Cc1ccc([C@H](C)NC(=O)CCNC(=O)C2CCCCC2)cc1F Cc1ccc(cc1F)[*:1] C[C@H](NC(=O)CCNC(=O)C1CCCCC1)[*:1]
CCOC(=O)NCCC(=O)Nc1ccc(-n2cncn2)cc1 CCOC(=O)NC[*:1] O=C(C[*:1])Nc1ccc(cc1)-n1cncn1
CCOC(=O)NCCC(=O)Nc1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] CCOC(=O)NCCC(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)NCCC(=O)Nc1ccc(-n2cncn2)cc1 CCOC(=O)N[*:1] O=C(CC[*:1])Nc1ccc(cc1)-n1cncn1
C[C@@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccc(-n2ccnn2)cc1 c1cn(nn1)[*:1] C[C@@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)c1ccc(cc1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1ccncc1 c1cc(ccn1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1ccncc1 c1cc(ccn1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CN(C)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1ccncc1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CN(C)Cc1ccncc1)[*:1]
CSC[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C O=[N+]([O-])[*:1] CSC[C@@H](C)NC(=O)Nc1cc(ccc1C)[*:1]
CSC[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C CSC[*:1] Cc1ccc(cc1NC(=O)N[C@H](C)[*:1])[N+](=O)[O-]
CC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)c1ccc(=O)[nH]c1 O=c1ccc(c[nH]1)[*:1] CC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)[*:1]
CC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)c1ccc(=O)[nH]c1 C1CCC(C1)[*:1] CC[C@](C)(C(=O)N[*:1])N(C[C@H]1CCCO1)C(=O)c1ccc(=O)[nH]c1
CC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)c1ccc(=O)[nH]c1 C1CO[C@H](C1)C[*:1] CC[C@](C)(C(=O)NC1CCCC1)N(C(=O)c1ccc(=O)[nH]c1)[*:1]
CC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)c1ccc(=O)[nH]c1 O=C(NC1CCCC1)[*:1] CC[C@](C)(N(C[C@H]1CCCO1)C(=O)c1ccc(=O)[nH]c1)[*:1]
CC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)c1ccc(=O)[nH]c1 C1CO[C@H](C1)[*:1] CC[C@](C)(C(=O)NC1CCCC1)N(C[*:1])C(=O)c1ccc(=O)[nH]c1
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(-c2ccc(F)cc2)o1 c1csc(c1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])c1ccc(o1)-c1ccc(F)cc1
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(o1)[*:1]
CCOc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)[O-] CCO[*:1] CN(c1ccccc1)S(=O)(=O)c1ccc(c(c1)C(=O)[O-])[*:1]
CCOc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)[O-] c1ccc(cc1)[*:1] CCOc1ccc(cc1C(=O)[O-])S(=O)(=O)N(C)[*:1]
CCOc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)[O-] O=C([O-])[*:1] CCOc1ccc(cc1[*:1])S(=O)(=O)N(C)c1ccccc1
O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc(-c2ccccc2)no1 c1ccc(nc1)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1cc(no1)-c1ccccc1
O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc(-c2ccccc2)no1 c1ccc(C[*:1])nc1 O=C(NC1CC[NH+](CC1)[*:1])c1cc(no1)-c1ccccc1
O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccn1)c1cc(no1)[*:1]
CC[NH+](CC)C[C@H]1CCN(c2nc(-c3ccncc3)nc3c2CCC3)C1 c1cc(ccn1)[*:1] CC[NH+](CC)C[C@H]1CCN(C1)c1nc(nc2CCCc21)[*:1]
Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCCC2=O)cc1 O=C1CCCCN1[*:1] Cc1cc(F)ccc1NC(=O)c1ccc(cc1)[*:1]
Cc1cc(F)ccc1NC(=O)c1ccc(N2CCCCC2=O)cc1 Cc1cc(F)ccc1[*:1] O=C(N[*:1])c1ccc(cc1)N1CCCCC1=O
Cc1cc(C(=O)NCC[NH+]2CCC(c3ccsc3)CC2)ccc1[N+](=O)[O-] c1cc(cs1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NCC[NH+]1CCC(CC1)[*:1]
Cc1cc(C(=O)NCC[NH+]2CCC(c3ccsc3)CC2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NCC[NH+]1CCC(CC1)c1ccsc1
C[C@@H](Cc1ccsc1)N(C)C(=O)[C@H]1Cc2ccccc2O1 c1cc(cs1)C[*:1] C[C@@H](N(C)C(=O)[C@H]1Cc2ccccc2O1)[*:1]
C[C@@H](Cc1ccsc1)N(C)C(=O)[C@H]1Cc2ccccc2O1 c1cc(cs1)[*:1] C[C@@H](C[*:1])N(C)C(=O)[C@H]1Cc2ccccc2O1
Cc1n[nH]c(C)c1NC(=O)CN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C CC(C)(C)[*:1] Cc1n[nH]c(C)c1NC(=O)CN1C[C@H](C)N(C[C@@H]1C)C(=O)O[*:1]
Cc1n[nH]c(C)c1NC(=O)CN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C Cc1n[nH]c(C)c1[*:1] C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CC(=O)N[*:1]
c1ccc([C@@H]2CC[NH2+][C@H]2c2ccccc2C2CC2)cc1 C1CC1[*:1] c1ccc(cc1)[C@@H]1CC[NH2+][C@H]1c1ccccc1[*:1]
c1ccc([C@@H]2CC[NH2+][C@H]2c2ccccc2C2CC2)cc1 c1ccc(cc1)[*:1] c1ccc(c(c1)C1CC1)[C@@H]1[NH2+]CC[C@H]1[*:1]
C[C@H]1C(=O)C[C@@H](c2ccco2)[NH2+][C@H]1c1ccco1 c1coc(c1)[*:1] C[C@H]1C(=O)C[C@H]([NH2+][C@@H]1[*:1])c1ccco1
C[C@H]1C(=O)C[C@@H](c2ccco2)[NH2+][C@H]1c1ccco1 c1coc(c1)[*:1] C[C@H]1C(=O)C[C@@H]([NH2+][C@H]1c1ccco1)[*:1]
COc1cccc(OCc2nc(C(=O)N[C@@H](C)c3cnn(C)c3)co2)c1 COc1cccc(c1)[*:1] C[C@H](NC(=O)c1coc(CO[*:1])n1)c1cnn(C)c1
COc1cccc(OCc2nc(C(=O)N[C@@H](C)c3cnn(C)c3)co2)c1 Cn1cc(cn1)[*:1] COc1cccc(c1)OCc1nc(co1)C(=O)N[C@@H](C)[*:1]
C[C@H](OC(=O)C1=NC=C(Br)C1)C(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H](OC(=O)C1CC(Br)=CN=1)C(=O)NC[*:1]
CC[C@H](Oc1ccccc1/C=C1\S/C(=N\c2ccc(O)cc2C(=O)[O-])N(C)C1=O)C(=O)[O-] O=C([O-])[*:1] CC[C@H](Oc1ccccc1/C=C1\S/C(=N\c2ccc(O)cc2C(=O)[O-])N(C)C1=O)[*:1]
CC[C@H](Oc1ccccc1/C=C1\S/C(=N\c2ccc(O)cc2C(=O)[O-])N(C)C1=O)C(=O)[O-] O=C([O-])c1cc(O)ccc1[*:1] CC[C@H](Oc1ccccc1/C=C1\SC(=N[*:1])N(C)C1=O)C(=O)[O-]
CC[C@H](Oc1ccccc1/C=C1\S/C(=N\c2ccc(O)cc2C(=O)[O-])N(C)C1=O)C(=O)[O-] O=C([O-])[*:1] CC[C@H](Oc1ccccc1/C=C1\S/C(=N\c2ccc(O)cc2[*:1])N(C)C1=O)C(=O)[O-]
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)ONC(=[NH2+])c2ccccc2)cc1 Cc1ccc(cc1)[*:1] [NH2+]=C(NOC(=O)[C@H]1CCC(=O)N1S(=O)(=O)[*:1])c1ccccc1
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)ONC(=[NH2+])c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1C(=O)CC[C@@H]1C(=O)ONC(=[NH2+])[*:1]
Cn1cc([C@H](CNc2cc(-n3ccnc3)ncn2)[NH+](C)C)cn1 Cn1cc(cn1)[*:1] C[NH+](C)[C@@H](CNc1cc(ncn1)-n1ccnc1)[*:1]
Cn1cc([C@H](CNc2cc(-n3ccnc3)ncn2)[NH+](C)C)cn1 c1cn(cn1)[*:1] Cn1cc(cn1)[C@H](CNc1cc(ncn1)[*:1])[NH+](C)C
CCOC(=O)[C@@H](CNC(=O)Nc1cccnc1Cl)c1ccccc1 Clc1ncccc1[*:1] CCOC(=O)[C@@H](CNC(=O)N[*:1])c1ccccc1
CCOC(=O)[C@@H](CNC(=O)Nc1cccnc1Cl)c1ccccc1 CCOC(=O)[*:1] O=C(NC[C@@H](c1ccccc1)[*:1])Nc1cccnc1Cl
CCOC(=O)[C@@H](CNC(=O)Nc1cccnc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@@H](CNC(=O)Nc1cccnc1Cl)[*:1]
CC[NH2+][C@@H](CSC)c1sccc1C CSC[*:1] CC[NH2+][C@@H](c1sccc1C)[*:1]
CCCC[C@H](C(=O)[O-])[C@H](O)c1ccc(C(F)(F)F)cc1 CCC[*:1] O=C([O-])[C@@H](C[*:1])[C@H](O)c1ccc(cc1)C(F)(F)F
CCCC[C@H](C(=O)[O-])[C@H](O)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] CCCC[C@H](C(=O)[O-])[C@H](O)c1ccc(cc1)[*:1]
CCCC[C@H](C(=O)[O-])[C@H](O)c1ccc(C(F)(F)F)cc1 CCCC[*:1] O=C([O-])[C@H]([C@H](O)c1ccc(cc1)C(F)(F)F)[*:1]
CCCC[C@H](C(=O)[O-])[C@H](O)c1ccc(C(F)(F)F)cc1 O=C([O-])[*:1] CCCC[C@H]([C@H](O)c1ccc(cc1)C(F)(F)F)[*:1]
CCc1noc([C@@H](C)Sc2nc3sc(C)c(C)c3c(=O)n2CC)n1 CCc1noc(n1)[*:1] CCn1c(nc2sc(C)c(C)c2c1=O)S[C@H](C)[*:1]
Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])NC(=O)[C@H]1CC(=O)N(C)C1
C[C@@H](NC(=O)Cc1cccc(F)c1F)C1(N2CCOCC2)CCCC1 C1CN(CCO1)[*:1] C[C@@H](NC(=O)Cc1cccc(F)c1F)C1(CCCC1)[*:1]
C[C@@H](NC(=O)Cc1cccc(F)c1F)C1(N2CCOCC2)CCCC1 Fc1cccc(c1F)[*:1] C[C@@H](NC(=O)C[*:1])C1(CCCC1)N1CCOCC1
C[C@H]1Nc2ncnn2[C@H](c2ccc(F)cc2)[C@@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@H]1Nc2ncnn2[C@H](c2ccc(F)cc2)[C@@H]1C(=O)N[*:1]
C[C@H]1Nc2ncnn2[C@H](c2ccc(F)cc2)[C@@H]1C(=O)Nc1ccccc1 Fc1ccc(cc1)[*:1] C[C@H]1Nc2ncnn2[C@H]([C@@H]1C(=O)Nc1ccccc1)[*:1]
CC(C)C[NH2+]CC/C=C/[C@H]1CCO[C@]2(CCSC2)C1 CC(C)C[*:1] C(=C/[C@H]1CCO[C@]2(CCSC2)C1)\CC[NH2+][*:1]
CC(C)C[NH2+]CC/C=C/[C@H]1CCO[C@]2(CCSC2)C1 CC(C)[*:1] C(=C/[C@H]1CCO[C@]2(CCSC2)C1)\CC[NH2+]C[*:1]
CCCCN(C)C(=O)NCC1(CC)CC1 CCCC[*:1] CCC1(CC1)CNC(=O)N(C)[*:1]
CCCCN(C)C(=O)NCC1(CC)CC1 CCC[*:1] CCC1(CC1)CNC(=O)N(C)C[*:1]
CCCCN(C)C(=O)NCC1(CC)CC1 CCC1(CC1)[*:1] CCCCN(C)C(=O)NC[*:1]
CC(C)CC[C@@H](C(=O)[O-])c1ccc(Br)cc1 O=C([O-])[*:1] CC(C)CC[C@@H](c1ccc(Br)cc1)[*:1]
CC(C)CC[C@@H](C(=O)[O-])c1ccc(Br)cc1 CC(C)C[*:1] O=C([O-])[C@H](C[*:1])c1ccc(Br)cc1
CC(C)CC[C@@H](C(=O)[O-])c1ccc(Br)cc1 CC(C)CC[*:1] O=C([O-])[C@@H](c1ccc(Br)cc1)[*:1]
CC(C)CC[C@@H](C(=O)[O-])c1ccc(Br)cc1 CC(C)[*:1] O=C([O-])[C@H](CC[*:1])c1ccc(Br)cc1
O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)N[C@H]1CCS(=O)(=O)C1 Clc1ccc(cc1)[*:1] O=C(Cc1csc(n1)NS(=O)(=O)[*:1])N[C@H]1CCS(=O)(=O)C1
CC(C)Cc1noc(CNc2ccc(S(=O)(=O)C3CCCC3)cc2)n1 CC(C)C[*:1] O=S(=O)(c1ccc(cc1)NCc1nc(no1)[*:1])C1CCCC1
CC(C)Cc1noc(CNc2ccc(S(=O)(=O)C3CCCC3)cc2)n1 C1CCC(C1)[*:1] CC(C)Cc1noc(CNc2ccc(cc2)S(=O)(=O)[*:1])n1
CC(C)Cc1noc(CNc2ccc(S(=O)(=O)C3CCCC3)cc2)n1 CC(C)[*:1] O=S(=O)(c1ccc(cc1)NCc1nc(C[*:1])no1)C1CCCC1
CC(C)Cc1noc(CNc2ccc(S(=O)(=O)C3CCCC3)cc2)n1 O=S(=O)(C1CCCC1)[*:1] CC(C)Cc1noc(CNc2ccc(cc2)[*:1])n1
COC[C@@H](C)n1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2ccccc2c1=O COC[*:1] C[C@@H](n1c(nc2ccccc2c1=O)SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[*:1]
Cc1csc([C@H](C#N)C(=O)c2ccc(-n3cccn3)cc2)n1 c1cnn(c1)[*:1] Cc1csc(n1)[C@H](C#N)C(=O)c1ccc(cc1)[*:1]
Cc1csc([C@H](C#N)C(=O)c2ccc(-n3cccn3)cc2)n1 Cc1csc(n1)[*:1] N#C[C@H](C(=O)c1ccc(cc1)-n1cccn1)[*:1]
Cc1ccsc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 Cc1ccsc1[*:1] O=C(N1CC=C(CC1)c1ccc(O)cc1)[*:1]
Cc1ccsc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] Cc1ccsc1C(=O)N1CC=C(CC1)[*:1]
O=C(/C=C/c1ccc(F)cc1)Oc1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(/C=C/c1ccc(F)cc1)Oc1ccc(cc1)[*:1]
O=C(/C=C/c1ccc(F)cc1)Oc1ccc(-n2cnnn2)cc1 Fc1ccc(cc1)[*:1] O=C(C=C[*:1])Oc1ccc(cc1)-n1cnnn1
CCN(CC(C)(C)O)C(=O)c1cccc(-c2ccoc2)c1 CC(C)(O)C[*:1] CCN(C(=O)c1cccc(c1)-c1ccoc1)[*:1]
CCN(CC(C)(C)O)C(=O)c1cccc(-c2ccoc2)c1 CC(C)(O)[*:1] CCN(C[*:1])C(=O)c1cccc(c1)-c1ccoc1
CCN(CC(C)(C)O)C(=O)c1cccc(-c2ccoc2)c1 c1cc(co1)[*:1] CCN(CC(C)(C)O)C(=O)c1cccc(c1)[*:1]
Cc1noc(-c2cc(=O)n(CC(=O)[O-])c3ccccc23)n1 O=C([O-])[*:1] Cc1noc(n1)-c1cc(=O)n(C[*:1])c2ccccc12
Cc1noc(-c2cc(=O)n(CC(=O)[O-])c3ccccc23)n1 Cc1noc(n1)[*:1] O=C([O-])Cn1c(=O)cc(c2ccccc21)[*:1]
Cc1noc(-c2cc(=O)n(CC(=O)[O-])c3ccccc23)n1 O=C([O-])C[*:1] Cc1noc(n1)-c1cc(=O)n(c2ccccc12)[*:1]
CC(=O)N1CCN(C(=O)[C@@H](C)SCCOc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H](C)SCCO[*:1]
CC(=O)N1CCN(C(=O)[C@@H](C)SCCOc2cccc(Cl)c2)CC1 Clc1cccc(c1)O[*:1] CC(=O)N1CCN(CC1)C(=O)[C@@H](C)SCC[*:1]
Cc1c(C(=O)NNC(=O)N2CCC[C@H](CC(N)=O)C2)oc2ccccc12 NC(=O)C[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)N1CCC[C@H](C1)[*:1]
Cc1c(C(=O)NNC(=O)N2CCC[C@H](CC(N)=O)C2)oc2ccccc12 NC(=O)[*:1] Cc1c(oc2ccccc12)C(=O)NNC(=O)N1CCC[C@@H](C1)C[*:1]
O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccc(Cl)c(c1)[*:1]
C[NH+](C)CCSCc1cccc(C#CCCO)c1 OCCC#C[*:1] C[NH+](C)CCSCc1cccc(c1)[*:1]
C[NH+](C)CCSCc1cccc(C#CCCO)c1 OCC[*:1] C[NH+](C)CCSCc1cccc(C#C[*:1])c1
CNC(=O)c1cc(NC(=O)N(C)CCCOc2ccccc2)ccc1Cl c1ccc(cc1)[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)N(C)CCCO[*:1]
CNC(=O)c1cc(NC(=O)N(C)CCCOc2ccccc2)ccc1Cl c1ccc(cc1)O[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)N(C)CCC[*:1]
CNC(=O)c1cc(NC(=O)N(C)CCCOc2ccccc2)ccc1Cl c1ccc(cc1)OC[*:1] CNC(=O)c1cc(ccc1Cl)NC(=O)N(C)CC[*:1]
CNC(=O)c1cc(NC(=O)N(C)CCCOc2ccccc2)ccc1Cl CNC(=O)[*:1] CN(CCCOc1ccccc1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
COc1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc23)cc1 COc1ccc(cc1)[*:1] O=C(CCNC(=O)c1n[nH]c2ccccc12)N[*:1]
O=C(C/C(=N/O)c1cc(-c2ccccc2)no1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C/C(=N/O)c1cc(no1)[*:1])c1ccccc1
O=C(C/C(=N/O)c1cc(-c2ccccc2)no1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C/C(=N/O)c1cc(no1)-c1ccccc1)[*:1]
C/C=C(\C)C(=O)O[C@@H](C)c1sc(CCOC)nc1C COCC[*:1] C/C=C(\C)C(=O)O[C@@H](C)c1sc(nc1C)[*:1]
C/C=C(\C)C(=O)O[C@@H](C)c1sc(CCOC)nc1C COC[*:1] C/C=C(\C)C(=O)O[C@@H](C)c1sc(C[*:1])nc1C
C/C=C(\C)C(=O)O[C@@H](C)c1sc(CCOC)nc1C CC=C(C)[*:1] COCCc1nc(C)c(s1)[C@H](C)OC(=O)[*:1]
COCCn1c([O-])c(C(=O)c2cc(Cl)c(OC)c(Cl)c2)c(C)c(C#N)c1=O COC[*:1] COc1c(Cl)cc(cc1Cl)C(=O)c1c(C)c(C#N)c(=O)n(C[*:1])c1[O-]
COCCn1c([O-])c(C(=O)c2cc(Cl)c(OC)c(Cl)c2)c(C)c(C#N)c1=O COCC[*:1] COc1c(Cl)cc(cc1Cl)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
CN(C)C(=O)CCCC(=O)Nc1nc2c3c(ccc2s1)CCCC3 CN(C)C(=O)C[*:1] O=C(CC[*:1])Nc1nc2c3CCCCc3ccc2s1
CN(C)C(=O)CCCC(=O)Nc1nc2c3c(ccc2s1)CCCC3 CN(C)C(=O)[*:1] O=C(CCC[*:1])Nc1nc2c3CCCCc3ccc2s1
CN(C)C(=O)CCCC(=O)Nc1nc2c3c(ccc2s1)CCCC3 CN(C)C(=O)CC[*:1] O=C(C[*:1])Nc1nc2c3CCCCc3ccc2s1
CN(C)C(=O)CCCC(=O)Nc1nc2c3c(ccc2s1)CCCC3 CN(C)C(=O)CCC[*:1] O=C(Nc1nc2c3CCCCc3ccc2s1)[*:1]
CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(-c2cscn2)cc1 c1nc(cs1)[*:1] CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(cc1)[*:1]
CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(-c2cscn2)cc1 COC(=O)C[*:1] CC[C@@](C)(NC(=O)c1ccc(cc1)-c1cscn1)[*:1]
CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(-c2cscn2)cc1 COC(=O)[*:1] CC[C@@](C)(C[*:1])NC(=O)c1ccc(cc1)-c1cscn1
Cc1[nH]c[nH+]c1CNC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 C1CC1[*:1] Cc1[nH]c[nH+]c1CNC(=O)c1cccc(c1)OC1CCN(CC1)C(=O)[*:1]
Cc1c([C@@H](C)[NH2+]Cc2nccn2C)cnn1-c1ccccc1 Cn1ccnc1C[*:1] Cc1c(cnn1-c1ccccc1)[C@@H](C)[NH2+][*:1]
Cc1c([C@@H](C)[NH2+]Cc2nccn2C)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)[NH2+]Cc1nccn1C
Cc1c([C@@H](C)[NH2+]Cc2nccn2C)cnn1-c1ccccc1 Cn1ccnc1[*:1] Cc1c(cnn1-c1ccccc1)[C@@H](C)[NH2+]C[*:1]
COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCCC1 COC(=O)[*:1] S=C(Nc1sc(cc1[*:1])-c1ccccc1)N1CCCC1
COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCCC1 c1ccc(cc1)[*:1] COC(=O)c1cc(sc1NC(=S)N1CCCC1)[*:1]
O=C(c1ccccc1Oc1ccc([N+](=O)[O-])c2cccnc12)N1CCOCC1 O=[N+]([O-])[*:1] O=C(c1ccccc1Oc1ccc(c2cccnc12)[*:1])N1CCOCC1
O=C(c1ccccc1Oc1ccc([N+](=O)[O-])c2cccnc12)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=[N+]([O-])c1ccc(Oc2ccccc2[*:1])c2ncccc12
Cc1cccc(C)c1N1C(=O)N(Cc2ccc(C#N)cc2)c2ccccc2S1(=O)=O Cc1cccc(C)c1[*:1] N#Cc1ccc(cc1)CN1C(=O)N(S(=O)(=O)c2ccccc21)[*:1]
Cc1cccc(C)c1N1C(=O)N(Cc2ccc(C#N)cc2)c2ccccc2S1(=O)=O N#Cc1ccc(cc1)C[*:1] Cc1cccc(C)c1N1C(=O)N(c2ccccc2S1(=O)=O)[*:1]
Cc1cccc(C)c1N1C(=O)N(Cc2ccc(C#N)cc2)c2ccccc2S1(=O)=O N#Cc1ccc(cc1)[*:1] Cc1cccc(C)c1N1C(=O)N(C[*:1])c2ccccc2S1(=O)=O
O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(C[C@H]1CSc2nc3CCCc3c(=O)n21)N[*:1]
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)[C@@H](C#N)C(=O)NC2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(C)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)[C@@H](C#N)C(=O)N[*:1]
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)[C@@H](C#N)C(=O)NC2CCCCC2)cc1 CC(C)[*:1] N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)[*:1]
Cc1csc([C@@H]2CN(Cc3cc(C)c(C)cc3OC(F)F)CCO2)n1 FC(F)O[*:1] Cc1csc(n1)[C@@H]1CN(CCO1)Cc1cc(C)c(C)cc1[*:1]
Cc1csc([C@@H]2CN(Cc3cc(C)c(C)cc3OC(F)F)CCO2)n1 FC(F)[*:1] Cc1csc(n1)[C@@H]1CN(CCO1)Cc1cc(C)c(C)cc1O[*:1]
Cc1csc([C@@H]2CN(Cc3cc(C)c(C)cc3OC(F)F)CCO2)n1 Cc1csc(n1)[*:1] Cc1cc(CN2CCO[C@@H](C2)[*:1])c(cc1C)OC(F)F
CON(C)c1nc(C2CC2)nc2c1CCC2 C1CC1[*:1] CON(C)c1nc(nc2CCCc21)[*:1]
CON(C)c1nc(C2CC2)nc2c1CCC2 CON(C)[*:1] C1Cc2nc(nc(c2C1)[*:1])C1CC1
CCN1C[C@@H](C(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)CC1=O c1ccc(cc1)[*:1] CCN1C[C@H](CC1=O)C(=O)N[C@H](c1nc2ccccc2n1C)[*:1]
O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc2c(c1)OCCO2 FC(F)(F)[*:1] O=C(CNc1ccc(Cl)c(c1)[*:1])Nc1ccc2OCCOc2c1
CC[NH+](CCc1ccc2c(c1)CCO2)CC(=O)Nc1c(C)cccc1C Cc1cccc(C)c1[*:1] CC[NH+](CCc1ccc2OCCc2c1)CC(=O)N[*:1]
N#Cc1cc2c(=O)n3ccccc3nc2n(-c2ccccc2Cl)c1=O Clc1ccccc1[*:1] N#Cc1cc2c(=O)n3ccccc3nc2n(c1=O)[*:1]
CC[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1cccc(C(=O)[O-])c1 O=C([O-])[*:1] CC[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1cccc(c1)[*:1]
CC[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1cccc(C(=O)[O-])c1 O=C([O-])c1cccc(c1)[*:1] CC[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)N[*:1]
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2 CC(C)[*:1] O=C(N[C@@H](c1nnc2CCN(CCn21)C(=O)c1cc(=O)c2ccccc2o1)[*:1])c1ccoc1
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2 c1cc(co1)[*:1] CC(C)[C@@H](NC(=O)[*:1])c1nnc2CCN(CCn21)C(=O)c1cc(=O)c2ccccc2o1
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2 O=c1cc(oc2ccccc12)[*:1] CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2CCN(CCn21)C(=O)[*:1]
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2 O=C(N[*:1])c1ccoc1 CC(C)[C@@H](c1nnc2CCN(CCn21)C(=O)c1cc(=O)c2ccccc2o1)[*:1]
CC(=O)N[C@H](C(=O)NC1(CC(=O)[O-])CCC1)C(C)C CC(C)[*:1] CC(=O)N[C@H](C(=O)NC1(CCC1)CC(=O)[O-])[*:1]
CC(=O)N[C@H](C(=O)NC1(CC(=O)[O-])CCC1)C(C)C O=C([O-])C[*:1] CC(=O)N[C@H](C(=O)NC1(CCC1)[*:1])C(C)C
CC(=O)N[C@H](C(=O)NC1(CC(=O)[O-])CCC1)C(C)C O=C([O-])[*:1] CC(=O)N[C@H](C(=O)NC1(CCC1)C[*:1])C(C)C
CC(=O)N[C@H](C(=O)NC1(CC(=O)[O-])CCC1)C(C)C CC(=O)N[*:1] CC(C)[C@@H](C(=O)NC1(CCC1)CC(=O)[O-])[*:1]
C[C@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] C[C@H](NC(=O)N1CCC(CC1)OCc1ccccc1F)[*:1]
C[C@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1nc2ccccc2[nH]1 Fc1ccccc1[*:1] C[C@H](NC(=O)N1CCC(CC1)OC[*:1])c1nc2ccccc2[nH]1
C[C@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1nc2ccccc2[nH]1 Fc1ccccc1C[*:1] C[C@H](NC(=O)N1CCC(CC1)O[*:1])c1nc2ccccc2[nH]1
C[C@H](NC(=O)N1CCC(OCc2ccccc2F)CC1)c1nc2ccccc2[nH]1 Fc1ccccc1CO[*:1] C[C@H](NC(=O)N1CCC(CC1)[*:1])c1nc2ccccc2[nH]1
CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2F)C1 CS(=O)(=O)N[*:1] O=C(c1ccc(cc1F)-c1ccccc1)N1CCC[C@@H](C1)[*:1]
CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2F)C1 c1ccc(cc1)[*:1] CS(=O)(=O)N[C@H]1CCCN(C1)C(=O)c1ccc(cc1F)[*:1]
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3[nH+]2)CC1 COc1ccc(cc1OC)[*:1] CC[NH+]1CCN(CC1)c1cc(C)c2cc(ccc2[nH+]1)NC(=O)[*:1]
CC(=O)NCC(=O)N1[C@@H](C(=O)[O-])CC[C@H]2CCCC[C@H]21 O=C([O-])[*:1] CC(=O)NCC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1[*:1]
CC(=O)NCC(=O)N1[C@@H](C(=O)[O-])CC[C@H]2CCCC[C@H]21 CC(=O)NC[*:1] O=C([O-])[C@H]1CC[C@H]2CCCC[C@H]2N1C(=O)[*:1]
CC(=O)NCC(=O)N1[C@@H](C(=O)[O-])CC[C@H]2CCCC[C@H]21 CC(=O)N[*:1] O=C([O-])[C@H]1CC[C@H]2CCCC[C@H]2N1C(=O)C[*:1]
O=C(Nc1[nH+]cccc1[O-])c1ccc(S(=O)(=O)N2CCCC2)cc1 O=S(=O)(N1CCCC1)[*:1] O=C(Nc1[nH+]cccc1[O-])c1ccc(cc1)[*:1]
O=C([C@H]1C[C@H]1c1c(F)cccc1Cl)N(CCO)Cc1cccnc1 Fc1cccc(Cl)c1[*:1] O=C([C@H]1C[C@@H]1[*:1])N(CCO)Cc1cccnc1
O=C([C@H]1C[C@H]1c1c(F)cccc1Cl)N(CCO)Cc1cccnc1 OCC[*:1] O=C([C@H]1C[C@H]1c1c(F)cccc1Cl)N(Cc1cccnc1)[*:1]
O=C([C@H]1C[C@H]1c1c(F)cccc1Cl)N(CCO)Cc1cccnc1 c1cncc(c1)[*:1] O=C([C@H]1C[C@H]1c1c(F)cccc1Cl)N(CCO)C[*:1]
O=C([C@H]1C[C@H]1c1c(F)cccc1Cl)N(CCO)Cc1cccnc1 c1cncc(c1)C[*:1] O=C([C@H]1C[C@H]1c1c(F)cccc1Cl)N(CCO)[*:1]
CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccnn1CC)n2C CCO[*:1] CCn1nccc1C(=O)/N=c1/sc2cc(ccc2n1C)[*:1]
CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccnn1CC)n2C CCn1nccc1[*:1] CCOc1ccc2c(c1)s/c(=N/C(=O)[*:1])n2C
CC(=O)Nc1cc(C(=O)Nc2c(F)cc(F)cc2F)ccc1F CC(=O)N[*:1] O=C(Nc1c(F)cc(F)cc1F)c1ccc(F)c(c1)[*:1]
C#CC[C@H](OC(=O)c1sc2cccc(F)c2c1COC)c1ccccn1 c1ccc(nc1)[*:1] C#CC[C@H](OC(=O)c1sc2cccc(F)c2c1COC)[*:1]
C#CC[C@H](OC(=O)c1sc2cccc(F)c2c1COC)c1ccccn1 COC[*:1] C#CC[C@H](OC(=O)c1sc2cccc(F)c2c1[*:1])c1ccccn1
C#CC[C@H](OC(=O)c1sc2cccc(F)c2c1COC)c1ccccn1 C#CC[*:1] COCc1c(sc2cccc(F)c12)C(=O)O[C@H](c1ccccn1)[*:1]
C[NH+](Cc1nc(-c2ccc(Cl)cc2)no1)C1CC(C)(C)[NH2+]C(C)(C)C1 Clc1ccc(cc1)[*:1] C[NH+](Cc1nc(no1)[*:1])C1CC(C)(C)[NH2+]C(C)(C)C1
Fc1cccc2[nH]c(CN(C[C@H]3CCCO3)[C@@H]3CCSC3)nc12 C1CO[C@H](C1)[*:1] Fc1cccc2[nH]c(CN(C[*:1])[C@@H]3CCSC3)nc12
Fc1cccc2[nH]c(CN(C[C@H]3CCCO3)[C@@H]3CCSC3)nc12 C1CO[C@H](C1)C[*:1] Fc1cccc2[nH]c(CN([C@@H]3CCSC3)[*:1])nc12
Cc1ccsc1CN(C)C(=O)/C=C/c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] Cc1ccsc1CN(C)C(=O)/C=C/c1ccc(cc1)[*:1]
Cc1ccsc1CN(C)C(=O)/C=C/c1ccc(-n2ccnc2)cc1 Cc1ccsc1C[*:1] CN(C(=O)/C=C/c1ccc(cc1)-n1ccnc1)[*:1]
Cc1ccsc1CN(C)C(=O)/C=C/c1ccc(-n2ccnc2)cc1 Cc1ccsc1[*:1] CN(C[*:1])C(=O)/C=C/c1ccc(cc1)-n1ccnc1
Cc1cc(C)c2c(n1)sc1c(N3CCCCC3)ncnc12 C1CCN(CC1)[*:1] Cc1cc(C)c2c(n1)sc1c(ncnc12)[*:1]
Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H](C)c3ccsc3)CC2)s1 c1cc(cs1)[*:1] Cc1ccc(s1)C(=O)NC1CCN(CC1)C(=O)[C@@H](C)[*:1]
Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H](C)c3ccsc3)CC2)s1 Cc1ccc(s1)[*:1] C[C@H](C(=O)N1CCC(CC1)NC(=O)[*:1])c1ccsc1
CCCn1cc[nH+]c1C[C@]1(O)CC[C@@H](C)[C@H](C)C1 CCC[*:1] C[C@@H]1CC[C@@](O)(Cc2[nH+]ccn2[*:1])C[C@H]1C
C=C(C)C[C@@H](O)Cc1cccc(Br)c1 C=C(C)[*:1] O[C@@H](Cc1cccc(Br)c1)C[*:1]
C=C(C)C[C@@H](O)Cc1cccc(Br)c1 C=C(C)C[*:1] O[C@@H](Cc1cccc(Br)c1)[*:1]
CC(=O)N1CCC[C@H](c2nccnc2-c2ccc(N)nc2)C1 Nc1ccc(cn1)[*:1] CC(=O)N1CCC[C@@H](C1)c1nccnc1[*:1]
CN(O)[C@H]1CC[C@H](c2ccc(C(C)(C)C)cc2)C1 CN(O)[*:1] CC(C)(C)c1ccc(cc1)[C@H]1CC[C@@H](C1)[*:1]
CN(O)[C@H]1CC[C@H](c2ccc(C(C)(C)C)cc2)C1 CC(C)(C)[*:1] CN(O)[C@H]1CC[C@@H](C1)c1ccc(cc1)[*:1]
COc1cc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1F O=[N+]([O-])[*:1] COc1cc(ccc1F)[C@@H](C)N[C@@H](C)c1cccc(c1C)[*:1]
Brc1ccc(N2[C@@H](SCc3nc4ccccc4[nH]3)NN[C@@H]2c2cc[nH+]cc2)cc1 Brc1ccc(cc1)[*:1] c1ccc2[nH]c(CS[C@H]3NN[C@H](c4cc[nH+]cc4)N3[*:1])nc2c1
Brc1ccc(N2[C@@H](SCc3nc4ccccc4[nH]3)NN[C@@H]2c2cc[nH+]cc2)cc1 c1ccc2[nH]c(nc2c1)[*:1] Brc1ccc(cc1)N1[C@H](NN[C@@H]1c1cc[nH+]cc1)SC[*:1]
C[C@@H](CN1C(=O)C(C)(C)S1(=O)=O)C(N)=S NC(=S)[*:1] C[C@@H](CN1C(=O)C(C)(C)S1(=O)=O)[*:1]
C[C@@H](CN1C(=O)C(C)(C)S1(=O)=O)C(N)=S C[C@@H](C(N)=S)[*:1] CC1(C)C(=O)N(C[*:1])S1(=O)=O
CCCNC(=O)NC(=O)COC(=O)CCC(=O)c1ccc(C)s1 CCC[*:1] Cc1ccc(s1)C(=O)CCC(=O)OCC(=O)NC(=O)N[*:1]
CCCNC(=O)NC(=O)COC(=O)CCC(=O)c1ccc(C)s1 Cc1ccc(s1)[*:1] CCCNC(=O)NC(=O)COC(=O)CCC(=O)[*:1]
CCc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)NC)o1 CCc1ccc(o1)[*:1] CNC(=O)NCC(=O)N1CCCCC[C@H]1[*:1]
CCc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)NC)o1 CNC(=O)NC[*:1] CCc1ccc(o1)[C@@H]1CCCCCN1C(=O)[*:1]
CCc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)NC)o1 CNC(=O)N[*:1] CCc1ccc(o1)[C@@H]1CCCCCN1C(=O)C[*:1]
CC(C)n1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O C[C@H](c1ccc(F)cc1)[*:1] CC(C)n1c(nc2ccccc2c1=O)S[C@@H](C)C(=O)N[*:1]
CC(C)n1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O Fc1ccc(cc1)[*:1] CC(C)n1c(nc2ccccc2c1=O)S[C@@H](C)C(=O)N[C@H](C)[*:1]
CC(C)n1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O CC(C)[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)N[C@H](C)c1ccc(F)cc1
Cc1c(Cl)cccc1NC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O c1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)Cn1nnc2sc(cc2c1=O)[*:1]
Cc1c(Cl)cccc1NC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O Cc1c(Cl)cccc1[*:1] O=C(Cn1nnc2sc(cc2c1=O)-c1ccccc1)N[*:1]
CCc1nn(C)c(CC)c1C[NH+]1CCC(c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] CCc1nn(C)c(CC)c1C[NH+]1CCC(CC1)[*:1]
O=C1CN(c2ccc(NC(=O)c3csc(-c4cccc(Cl)c4)n3)cn2)CCN1 O=C1CN(CCN1)[*:1] O=C(Nc1ccc(nc1)[*:1])c1csc(n1)-c1cccc(Cl)c1
O=C1CN(c2ccc(NC(=O)c3csc(-c4cccc(Cl)c4)n3)cn2)CCN1 Clc1cccc(c1)[*:1] O=C1CN(CCN1)c1ccc(cn1)NC(=O)c1csc(n1)[*:1]
CNC(=O)CCC[NH+](C)Cc1cc(F)cc(F)c1 CNC(=O)C[*:1] C[NH+](CC[*:1])Cc1cc(F)cc(F)c1
CNC(=O)CCC[NH+](C)Cc1cc(F)cc(F)c1 CNC(=O)CC[*:1] C[NH+](Cc1cc(F)cc(F)c1)C[*:1]
CNC(=O)CCC[NH+](C)Cc1cc(F)cc(F)c1 CNC(=O)[*:1] C[NH+](CCC[*:1])Cc1cc(F)cc(F)c1
Cn1cc(CNc2ccc3ccccc3c2)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(CNc2ccc3ccccc3c2)c(n1)[*:1]
CSC[C@@H](C)N(C)C(=O)NCc1ccc(C(=O)N(C)C)cc1 CN(C)C(=O)[*:1] CSC[C@@H](C)N(C)C(=O)NCc1ccc(cc1)[*:1]
CSC[C@@H](C)N(C)C(=O)NCc1ccc(C(=O)N(C)C)cc1 CSC[*:1] C[C@@H](N(C)C(=O)NCc1ccc(cc1)C(=O)N(C)C)[*:1]
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(CC(F)(F)F)CC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCCC1)N1CCN(CC1)C[*:1]
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(CC(F)(F)F)CC1 O=S(=O)(N1CCCCC1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)CC(F)(F)F
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(CC(F)(F)F)CC1 FC(F)(F)C[*:1] O=C(c1ccc(cc1)S(=O)(=O)N1CCCCC1)N1CCN(CC1)[*:1]
CC[NH+]1CCN([C@H](C)CNC(=O)c2nc(-c3ccco3)sc2C)CC1 c1coc(c1)[*:1] CC[NH+]1CCN(CC1)[C@H](C)CNC(=O)c1nc(sc1C)[*:1]
C/[NH+]=C(/NCC(=O)N1CCc2ccccc21)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] C/[NH+]=C(/NCC(=O)N1CCc2ccccc21)N[*:1]
C/[NH+]=C(/NCC(=O)N1CCc2ccccc21)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C/[NH+]=C(/NCC(=O)N1CCc2ccccc21)NC[*:1]
CCN(C(=O)C(=O)NCCC[NH+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CCN(C(=O)C(=O)NCCC[NH+]1CCc2ccccc2C1)[*:1]
CN(C)C(=O)COc1cccc(CNc2cc[nH+]c3cc(Cl)ccc23)c1 CN(C)C(=O)CO[*:1] Clc1ccc2c(cc[nH+]c2c1)NCc1cccc(c1)[*:1]
CN(C)C(=O)COc1cccc(CNc2cc[nH+]c3cc(Cl)ccc23)c1 CN(C)C(=O)[*:1] Clc1ccc2c(cc[nH+]c2c1)NCc1cccc(c1)OC[*:1]
CN(C)C(=O)COc1cccc(CNc2cc[nH+]c3cc(Cl)ccc23)c1 CN(C)C(=O)C[*:1] Clc1ccc2c(cc[nH+]c2c1)NCc1cccc(c1)O[*:1]
CC(C)N(C(=O)[C@H](C)Sc1nnc(C2CC2)s1)C(C)C C1CC1[*:1] CC(C)N(C(=O)[C@H](C)Sc1nnc(s1)[*:1])C(C)C
CC(C)N(C(=O)[C@H](C)Sc1nnc(C2CC2)s1)C(C)C CC(C)[*:1] CC(C)N(C(=O)[C@H](C)Sc1nnc(s1)C1CC1)[*:1]
O=C(CCc1ccc(Cl)s1)NCCN1CCS(=O)(=O)CC1 Clc1ccc(s1)[*:1] O=C(CC[*:1])NCCN1CCS(=O)(=O)CC1
O=C(CCc1ccc(Cl)s1)NCCN1CCS(=O)(=O)CC1 Clc1ccc(C[*:1])s1 O=C(C[*:1])NCCN1CCS(=O)(=O)CC1
CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(NC(C)=O)c1 CC(=O)N[*:1] CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(c1)[*:1]
CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(NC(C)=O)c1 CCS[*:1] CC(=O)Nc1cccc(c1)NC(=O)N[C@H]1CCCC[C@@H]1[*:1]
Nc1ccc(C(=O)NN/C(=C/C(=O)c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Nc1ccc(cc1)C(=O)NN/C(=C/C(=O)[*:1])c1ccccc1
Nc1ccc(C(=O)NN/C(=C/C(=O)c2ccccc2)c2ccccc2)cc1 O=C(c1ccccc1)[*:1] Nc1ccc(cc1)C(=O)NNC(=C[*:1])c1ccccc1
Nc1ccc(C(=O)NN/C(=C/C(=O)c2ccccc2)c2ccccc2)cc1 Nc1ccc(cc1)[*:1] O=C(/C=C(/NNC(=O)[*:1])c1ccccc1)c1ccccc1
Nc1ccc(C(=O)NN/C(=C/C(=O)c2ccccc2)c2ccccc2)cc1 c1ccc(cc1)[*:1] Nc1ccc(cc1)C(=O)NN/C(=C/C(=O)c1ccccc1)[*:1]
COc1ccc2c(ccn2CC(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1 NC(=O)[*:1] COc1ccc2c(ccn2CC(=O)Nc2ccc3[nH]nc(c3c2)[*:1])c1
O=C(Nc1ccccc1)Nc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(Nc1ccccc1)Nc1ccc(cc1)C[*:1]
O=C(Nc1ccccc1)Nc1ccc(CN2CCOCC2)cc1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)CN1CCOCC1)N[*:1]
O=C(Nc1ccccc1)Nc1ccc(CN2CCOCC2)cc1 C1CN(CCO1)C[*:1] O=C(Nc1ccccc1)Nc1ccc(cc1)[*:1]
O=C(C[NH+]1CCN(c2ccccn2)CC1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 c1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)c1ccccn1)N(C[*:1])c1nc2CCCCc2s1
O=C(C[NH+]1CCN(c2ccccn2)CC1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 c1ccc(nc1)[*:1] O=C(C[NH+]1CCN(CC1)[*:1])N(Cc1ccccc1)c1nc2CCCCc2s1
O=C(C[NH+]1CCN(c2ccccn2)CC1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 C1CCc2sc(nc2C1)[*:1] O=C(C[NH+]1CCN(CC1)c1ccccn1)N(Cc1ccccc1)[*:1]
O=C(C[NH+]1CCN(c2ccccn2)CC1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 c1ccc(cc1)C[*:1] O=C(C[NH+]1CCN(CC1)c1ccccn1)N(c1nc2CCCCc2s1)[*:1]
Cc1nc(-c2cccc(C[NH2+]Cc3ccc(-n4ccnc4)c(F)c3)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] Fc1cc(ccc1-n1ccnc1)C[NH2+]Cc1cccc(c1)[*:1]
Cc1nc(-c2cccc(C[NH2+]Cc3ccc(-n4ccnc4)c(F)c3)c2)n[nH]1 c1cn(cn1)[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C[NH2+]Cc1ccc(c(F)c1)[*:1]
CS(=O)(=O)N1CCCN(Cc2cccs2)CC1 c1csc(c1)[*:1] CS(=O)(=O)N1CCCN(CC1)C[*:1]
O=C(N[C@H]1CCS(=O)(=O)C1)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)N(CCC(F)(F)F)[*:1]
O=C(N[C@H]1CCS(=O)(=O)C1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)N(CC[*:1])C1CCC1
O=C(N[C@H]1CCS(=O)(=O)C1)N(CCC(F)(F)F)C1CCC1 O=S1(=O)CC[C@@H](C1)[*:1] O=C(N[*:1])N(CCC(F)(F)F)C1CCC1
O=C(N[C@H]1CCS(=O)(=O)C1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)N(C1CCC1)[*:1]
O=C(N[C@H]1CCS(=O)(=O)C1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)N(C[*:1])C1CCC1
O=C(Nc1cc(-n2cccc2)ccc1F)c1ccnnc1 c1cc(cnn1)[*:1] O=C(Nc1cc(ccc1F)-n1cccc1)[*:1]
O=C(Nc1cc(-n2cccc2)ccc1F)c1ccnnc1 c1ccn(c1)[*:1] O=C(Nc1cc(ccc1F)[*:1])c1ccnnc1
Fc1ccc(-c2cnc(CSc3nnnn3C3CCCC3)o2)cc1 C1CCC(C1)[*:1] Fc1ccc(cc1)-c1cnc(CSc2nnnn2[*:1])o1
Fc1ccc(-c2cnc(CSc3nnnn3C3CCCC3)o2)cc1 Fc1ccc(cc1)[*:1] c1nc(CSc2nnnn2C2CCCC2)oc1[*:1]
CC[NH+]1CCN([C@H](C)CNC(=O)C(C)(C)Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)C[*:1] CC[NH+]1CCN(CC1)[C@H](C)CNC(=O)C(C)(C)[*:1]
CC[NH+]1CCN([C@H](C)CNC(=O)C(C)(C)Cc2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] CC[NH+]1CCN(CC1)[C@H](C)CNC(=O)C(C)(C)C[*:1]
O=C(CCCc1ccc(Cl)cc1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] O=C(CCCc1ccc(Cl)cc1)N1CCN(CC1)[*:1]
O=C(CCCc1ccc(Cl)cc1)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)[*:1] O=C(CCCc1ccc(Cl)cc1)N1CCN(CC1)C[*:1]
O=C(CCCc1ccc(Cl)cc1)N1CCN(Cc2ccncc2)CC1 Clc1ccc(cc1)C[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1ccncc1
O=C(CCCc1ccc(Cl)cc1)N1CCN(Cc2ccncc2)CC1 Clc1ccc(cc1)[*:1] O=C(CCC[*:1])N1CCN(CC1)Cc1ccncc1
CC1CCC(NC(=O)NCc2cc(=O)[nH]c3ccccc23)CC1 CC1CCC(CC1)[*:1] O=C(NCc1cc(=O)[nH]c2ccccc12)N[*:1]
CC[NH2+][C@H](c1ccc(OCC)cc1)[C@H]1C[NH+]2CCN1CC2 CCO[*:1] CC[NH2+][C@H](c1ccc(cc1)[*:1])[C@H]1C[NH+]2CCN1CC2
NC1=NC(=O)[C@](Cc2cccc(F)c2)(c2ccccc2)N1 Fc1cccc(c1)[*:1] NC1=NC(=O)[C@@](C[*:1])(N1)c1ccccc1
NC1=NC(=O)[C@](Cc2cccc(F)c2)(c2ccccc2)N1 c1ccc(cc1)[*:1] NC1=NC(=O)[C@](Cc2cccc(F)c2)(N1)[*:1]
CC[C@H](NC(=O)c1ccoc1C)c1ccc(Cl)cc1 Cc1occc1[*:1] CC[C@H](NC(=O)[*:1])c1ccc(Cl)cc1
CC[C@](C)([NH3+])C(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)S[*:1] CC[C@](C)([NH3+])C(=O)Nc1ccccc1[*:1]
CC[C@](C)([NH3+])C(=O)Nc1ccccc1SC1CCCC1 C1CCC(C1)[*:1] CC[C@](C)([NH3+])C(=O)Nc1ccccc1S[*:1]
C[NH2+]C[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] O=C([O-])[*:1] C[NH2+]C[C@H](C)C(=O)N[C@H](Cc1ccccc1)[*:1]
C[NH2+]C[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] C[NH2+]C[C@H](C)C(=O)N[C@H](C[*:1])C(=O)[O-]
O=C(NCCSc1ccccc1)c1cccc(-n2cnnc2)n1 c1ccc(cc1)[*:1] O=C(NCCS[*:1])c1cccc(n1)-n1cnnc1
O=C(NCCSc1ccccc1)c1cccc(-n2cnnc2)n1 c1nncn1[*:1] O=C(NCCSc1ccccc1)c1cccc(n1)[*:1]
O=C(NCCSc1ccccc1)c1cccc(-n2cnnc2)n1 c1ccc(cc1)S[*:1] O=C(NCC[*:1])c1cccc(n1)-n1cnnc1
C[C@H](CNC(=O)CN1CCCOC1=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)CN1CCCOC1=O)N1CCN(CC1)[*:1]
C[C@H](CNC(=O)CN1CCCOC1=O)N1CCN(c2ccccc2)CC1 O=C1OCCCN1[*:1] C[C@H](CNC(=O)C[*:1])N1CCN(CC1)c1ccccc1
C[C@H](CNC(=O)CN1CCCOC1=O)N1CCN(c2ccccc2)CC1 O=C1OCCCN1C[*:1] C[C@H](CNC(=O)[*:1])N1CCN(CC1)c1ccccc1
CC[C@@](O)(COC)c1cscc1Br COC[*:1] CC[C@@](O)(c1cscc1Br)[*:1]
COc1ccccc1CN(CCO)c1ncccc1C#N OCC[*:1] COc1ccccc1CN(c1ncccc1C#N)[*:1]
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c(C)c1 Cc1ccc(c(C)c1)[*:1] Cn1cc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c2ccccc21
Cc1nn(C)c2ncc(NC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc12 c1ccc(cc1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
Cc1nn(C)c2ncc(NC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc12 O=C(Nc1ccccc1)[*:1] Cc1nn(C)c2ncc(cc12)NC(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(NC(=O)C(=O)NC[C@H](C)Cc2cccs2)c(Cl)c1 c1csc(c1)C[*:1] Cc1ccc(NC(=O)C(=O)NC[C@H](C)[*:1])c(Cl)c1
Cc1ccc(NC(=O)C(=O)NC[C@H](C)Cc2cccs2)c(Cl)c1 c1csc(c1)[*:1] Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[*:1])c(Cl)c1
Fc1ccc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCCN(c2ncccn2)C1 FC(F)(F)[*:1] Fc1ccc(cc1C[NH2+]C[C@@H]1CCCN(C1)c1ncccn1)[*:1]
Fc1ccc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] Fc1ccc(cc1C[NH2+]C[C@@H]1CCCN(C1)[*:1])C(F)(F)F
Cc1ncccc1NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 Cc1ncccc1[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)[C@H]1CCCO1
Cc1ncccc1NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 O=C(N[*:1])[C@H]1CCCO1 Cc1ncccc1NC(=O)c1cccc(c1)[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(Cc3ccccc3)CC1)n2CCc1ccccc1 c1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(CC1)[*:1])n2CCc1ccccc1
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(Cc3ccccc3)CC1)n2CCc1ccccc1 c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(CC1)Cc1ccccc1)n2CC[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(Cc3ccccc3)CC1)n2CCc1ccccc1 c1ccc(cc1)C[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(CC1)Cc1ccccc1)n2C[*:1]
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(Cc3ccccc3)CC1)n2CCc1ccccc1 c1ccc(cc1)[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(CC1)C[*:1])n2CCc1ccccc1
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(Cc3ccccc3)CC1)n2CCc1ccccc1 c1ccc(cc1)CC[*:1] Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(CC1)Cc1ccccc1)n2[*:1]
CC1=C[C@H](O)[C@@H](C(C)C)CC1 CC(C)[*:1] CC1=C[C@H](O)[C@@H](CC1)[*:1]
Cn1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 O=C([O-])[*:1] Cn1ccc(n1)NS(=O)(=O)c1ccc(cc1F)[*:1]
Cn1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 Cn1ccc(n1)[*:1] O=C([O-])c1ccc(c(F)c1)S(=O)(=O)N[*:1]
O=c1[nH]c([O-])c([C@@H](Nc2ccccc2)c2ccco2)c(=O)[nH]1 c1ccc(cc1)[*:1] O=c1[nH]c([O-])c(c(=O)[nH]1)[C@@H](N[*:1])c1ccco1
O=c1[nH]c([O-])c([C@@H](Nc2ccccc2)c2ccco2)c(=O)[nH]1 c1ccc(cc1)N[*:1] O=c1[nH]c([O-])c(c(=O)[nH]1)[C@@H](c1ccco1)[*:1]
O=c1[nH]c([O-])c([C@@H](Nc2ccccc2)c2ccco2)c(=O)[nH]1 c1coc(c1)[*:1] O=c1[nH]c([O-])c(c(=O)[nH]1)[C@@H](Nc1ccccc1)[*:1]
COC(=O)c1ccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 COC(=O)[*:1] CS(=O)(=O)N1CCC(CC1)CNC(=O)c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCCCC2)cc1 CC(C)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C[*:1])C(=O)N1CCCCC1
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCCCC2)cc1 Cc1ccc(cc1)[*:1] CC(C)C[C@H](NS(=O)(=O)[*:1])C(=O)N1CCCCC1
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCCCC2)cc1 CC(C)C[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)N1CCCCC1)[*:1]
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(C)C)[*:1]
O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCC3)cc21)Nc1ccccn1 c1ccc(nc1)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)C(=O)N1CCCC1)N[*:1]
O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCC3)cc21)Nc1ccccn1 O=C(N1CCCC1)[*:1] O=C(CN1C(=O)CSc2ccc(cc21)[*:1])Nc1ccccn1
O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCC3)cc21)Nc1ccccn1 O=C(Nc1ccccn1)[*:1] O=C(c1ccc2SCC(=O)N(C[*:1])c2c1)N1CCCC1
C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 C1CO[C@@H](C1)C[*:1] C[C@@H](NC(=O)[*:1])c1ccc(cc1)C(F)(F)F
C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 C1CO[C@@H](C1)[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(cc1)C(F)(F)F
CSCCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2ccccc21 CC(C)S(=O)(=O)[*:1] CSCCn1/c(=N/C(=O)c2cccc(c2)[*:1])sc2ccccc21
CSCCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2ccccc21 CSCC[*:1] CC(C)S(=O)(=O)c1cccc(c1)C(=O)/N=c1\sc2ccccc2n1[*:1]
CSCCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2ccccc21 CSC[*:1] CC(C)S(=O)(=O)c1cccc(c1)C(=O)/N=c1\sc2ccccc2n1C[*:1]
CSCCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2ccccc21 CC(C)[*:1] CSCCn1/c(=N/C(=O)c2cccc(c2)S(=O)(=O)[*:1])sc2ccccc21
CSC(C)(C)CNC(=O)[C@@H](C)Sc1ccccc1 CSC(C)(C)[*:1] C[C@@H](Sc1ccccc1)C(=O)NC[*:1]
CSC(C)(C)CNC(=O)[C@@H](C)Sc1ccccc1 CSC(C)(C)C[*:1] C[C@@H](Sc1ccccc1)C(=O)N[*:1]
CSC(C)(C)CNC(=O)[C@@H](C)Sc1ccccc1 c1ccc(cc1)[*:1] CSC(C)(C)CNC(=O)[C@@H](C)S[*:1]
C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 O=C(N[*:1])c1ccco1 C[C@H](C(=O)N1CC[C@H](C1)Oc1cccc(Cl)c1)[*:1]
C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)O[*:1] C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](C1)[*:1]
C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 c1coc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CC[C@H](C1)Oc1cccc(Cl)c1
C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](C1)O[*:1]
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\[C@@H]1C=NN=C1c1ccc(Cl)cc1 COc1ccc(Cl)cc1[*:1] N#C/C(=C/[C@@H]1C=NN=C1c1ccc(Cl)cc1)C(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\[C@@H]1C=NN=C1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\[C@@H]1C=NN=C1[*:1]
N#Cc1cccc(OC2CCN(c3nc(C4CC4)ns3)CC2)c1 C1CC1[*:1] N#Cc1cccc(c1)OC1CCN(CC1)c1nc(ns1)[*:1]
CC(=O)C[C@H](C)[C@H]1CCO[C@]2(CCOC2)C1 CC(=O)C[*:1] C[C@H]([C@H]1CCO[C@]2(CCOC2)C1)[*:1]
CC(=O)C[C@H](C)[C@H]1CCO[C@]2(CCOC2)C1 CC(=O)[*:1] C[C@@H](C[*:1])[C@H]1CCO[C@]2(CCOC2)C1
Cc1cccc([C@@H](C)CNC(=O)c2nccnc2C(N)=O)c1 NC(=O)[*:1] Cc1cccc(c1)[C@@H](C)CNC(=O)c1nccnc1[*:1]
Cc1cccc([C@@H](C)CNC(=O)c2nccnc2C(N)=O)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)c1nccnc1C(N)=O)[*:1]
CCN1CC(=O)Nc2cc(C(=O)O[C@@H](C)C(C)(C)C#N)ccc21 CC(C)(C#N)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)O[C@@H](C)[*:1]
O=C(N[C@H]1C[C@@H](O)[C@@H](CO)C1)C1(c2cccs2)CCCC1 c1csc(c1)[*:1] O=C(N[C@H]1C[C@@H](O)[C@@H](CO)C1)C1(CCCC1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N(C[C@@H]1CCCO1)c1nc2ccc(Br)cc2s1 C1CO[C@@H](C1)C[*:1] O=C(c1ccc(o1)[N+](=O)[O-])N(c1nc2ccc(Br)cc2s1)[*:1]
O=C(c1ccc([N+](=O)[O-])o1)N(C[C@@H]1CCCO1)c1nc2ccc(Br)cc2s1 O=[N+]([O-])[*:1] O=C(c1ccc(o1)[*:1])N(C[C@@H]1CCCO1)c1nc2ccc(Br)cc2s1
O=C(c1ccc([N+](=O)[O-])o1)N(C[C@@H]1CCCO1)c1nc2ccc(Br)cc2s1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(N(C[C@@H]1CCCO1)c1nc2ccc(Br)cc2s1)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)Nc1nc(cs1)C[NH+]1CCCCC1)[*:1]
CCCc1n[nH]c([C@H]2CN(Cc3nnnn3CCC)CCO2)n1 CCC[*:1] CCCc1n[nH]c(n1)[C@H]1CN(CCO1)Cc1nnnn1[*:1]
CCCc1n[nH]c([C@H]2CN(Cc3nnnn3CCC)CCO2)n1 CCC[*:1] CCCn1nnnc1CN1CCO[C@H](C1)c1nc(n[nH]1)[*:1]
CC/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccccc1 Cc1cc(C)n(n1)[*:1] CC/C(=N\NC(=O)C[*:1])c1ccccc1
CC/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccccc1 c1ccc(cc1)[*:1] CCC(=NNC(=O)Cn1nc(C)cc1C)[*:1]
CC(=O)Nc1ccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)cc1 O=[N+]([O-])c1cccc(c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1sc2nc(cn2c1C)[*:1]
CC(=O)Nc1ccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)cc1 CC(=O)N[*:1] Cc1c(sc2nc(cn12)-c1cccc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)cc1 O=[N+]([O-])[*:1] CC(=O)Nc1ccc(cc1)NC(=O)c1sc2nc(cn2c1C)-c1cccc(c1)[*:1]
CC(=O)Nc1ccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cc1c(sc2nc(cn12)-c1cccc(c1)[N+](=O)[O-])C(=O)N[*:1]
CC(C)(C)Oc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1F CC(C)(C)[*:1] O=C(NCc1ccccc1O[*:1])c1ccc(cc1F)[N+](=O)[O-]
CC(C)(C)Oc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1F O=[N+]([O-])[*:1] CC(C)(C)Oc1ccccc1CNC(=O)c1ccc(cc1F)[*:1]
CC(C)(C)Oc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1F CC(C)(C)O[*:1] O=C(NCc1ccccc1[*:1])c1ccc(cc1F)[N+](=O)[O-]
C[C@H]1C[C@H]1NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2 c1ccc(cc1)[*:1] C[C@H]1C[C@H]1NC(=O)NCc1nn(c2CCCc12)[*:1]
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[*:1]
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(F)cc1F Fc1cccc(F)c1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)Nc1ccc(F)cc1F
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(F)cc1F CC(C)[*:1] O=C(N[C@@H](C(=O)Nc1ccc(F)cc1F)[*:1])c1c(F)cccc1F
C=CCc1c(C)[nH]c2nc(-c3ccncc3)nn2c1=O C=CC[*:1] Cc1[nH]c2nc(nn2c(=O)c1[*:1])-c1ccncc1
C=CCc1c(C)[nH]c2nc(-c3ccncc3)nn2c1=O c1cc(ccn1)[*:1] C=CCc1c(C)[nH]c2nc(nn2c1=O)[*:1]
Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)s2)c1 Cc1cccc(c1)N[*:1] O=C(CSc1nnc(s1)[*:1])Nc1ccc2OCCOc2c1
Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)s2)c1 Cc1cccc(c1)[*:1] O=C(CSc1nnc(N[*:1])s1)Nc1ccc2OCCOc2c1
C[C@@H](Oc1ccccc1)C(=O)NCC[C@@H](O)c1cccc2ccccc12 c1ccc(cc1)O[*:1] C[C@@H](C(=O)NCC[C@@H](O)c1cccc2ccccc12)[*:1]
C[C@@H](Oc1ccccc1)C(=O)NCC[C@@H](O)c1cccc2ccccc12 c1ccc(cc1)[*:1] C[C@@H](O[*:1])C(=O)NCC[C@@H](O)c1cccc2ccccc12
C#CCN(C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)C1CCCCC1 C1CCC(CC1)[*:1] C#CCN(C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)[*:1]
C#CCN(C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)C1CCCCC1 O=C1CCCN1CC[*:1] C#CCN(C(=O)[C@H]1CCC(=O)N(C1)C[*:1])C1CCCCC1
C#CCN(C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)C1CCCCC1 C#CC[*:1] O=C1CCCN1CCCN1C[C@H](CCC1=O)C(=O)N(C1CCCCC1)[*:1]
C#CCN(C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)C1CCCCC1 O=C1CCCN1CCC[*:1] C#CCN(C(=O)[C@H]1CCC(=O)N(C1)[*:1])C1CCCCC1
C#CCN(C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)C1CCCCC1 O=C1CCCN1C[*:1] C#CCN(C(=O)[C@H]1CCC(=O)N(CC[*:1])C1)C1CCCCC1
C#CCN(C(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)C1CCCCC1 O=C1CCCN1[*:1] C#CCN(C(=O)[C@H]1CCC(=O)N(CCC[*:1])C1)C1CCCCC1
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(Cl)c(Cl)cn1 O=[N+]([O-])[*:1] Cc1nc(cn1CC(=O)Nc1cc(Cl)c(Cl)cn1)[*:1]
CCc1cccc(C)c1NC(=O)N[C@@H]1CCCCC[C@H]1C(=O)OC COC(=O)[*:1] CCc1cccc(C)c1NC(=O)N[C@@H]1CCCCC[C@@H]1[*:1]
OCCCn1c(COc2ccccc2)nc2cc(C(F)(F)F)ccc21 c1ccc(cc1)OC[*:1] OCCCn1c(nc2cc(ccc21)C(F)(F)F)[*:1]
OCCCn1c(COc2ccccc2)nc2cc(C(F)(F)F)ccc21 OCC[*:1] FC(F)(F)c1ccc2c(c1)nc(COc1ccccc1)n2C[*:1]
OCCCn1c(COc2ccccc2)nc2cc(C(F)(F)F)ccc21 OCCC[*:1] FC(F)(F)c1ccc2c(c1)nc(COc1ccccc1)n2[*:1]
OCCCn1c(COc2ccccc2)nc2cc(C(F)(F)F)ccc21 c1ccc(cc1)[*:1] OCCCn1c(CO[*:1])nc2cc(ccc21)C(F)(F)F
OCCCn1c(COc2ccccc2)nc2cc(C(F)(F)F)ccc21 c1ccc(cc1)O[*:1] OCCCn1c(C[*:1])nc2cc(ccc21)C(F)(F)F
OCCCn1c(COc2ccccc2)nc2cc(C(F)(F)F)ccc21 FC(F)(F)[*:1] OCCCn1c(COc2ccccc2)nc2cc(ccc21)[*:1]
Cc1ccc2cccc(NC(=O)C(=O)NCCN(C)c3ccccc3)c2n1 CN(C[*:1])c1ccccc1 Cc1ccc2cccc(NC(=O)C(=O)NC[*:1])c2n1
Cc1ccc2cccc(NC(=O)C(=O)NCCN(C)c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1ccc2cccc(NC(=O)C(=O)NCCN(C)[*:1])c2n1
Cc1ccc2cccc(NC(=O)C(=O)NCCN(C)c3ccccc3)c2n1 CN(c1ccccc1)[*:1] Cc1ccc2cccc(NC(=O)C(=O)NCC[*:1])c2n1
C[C@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)c1nc(Cc2ccccc2)no1 c1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)c1nc(C[*:1])no1
C[C@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)c1nc(Cc2ccccc2)no1 NC(=O)C[*:1] C[C@H](NC(=O)N1CCC[C@H](C1)[*:1])c1nc(Cc2ccccc2)no1
C[C@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)c1nc(Cc2ccccc2)no1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)c1nc(no1)[*:1]
C[C@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)c1nc(Cc2ccccc2)no1 NC(=O)[*:1] C[C@H](NC(=O)N1CCC[C@@H](C1)C[*:1])c1nc(Cc2ccccc2)no1
CCC[NH+]1CCC(N(C)Cc2c(C)nn(CCO)c2C)CC1 OCC[*:1] CCC[NH+]1CCC(CC1)N(C)Cc1c(C)nn(c1C)[*:1]
CCC[NH+]1CCC(N(C)Cc2c(C)nn(CCO)c2C)CC1 CCC[*:1] Cc1nn(CCO)c(C)c1CN(C)C1CC[NH+](CC1)[*:1]
Cc1cccc(N)c1C(=O)NCC1CCC1 C1CC(C1)[*:1] Cc1cccc(N)c1C(=O)NC[*:1]
Cc1cccc(N)c1C(=O)NCC1CCC1 C1CC(C1)C[*:1] Cc1cccc(N)c1C(=O)N[*:1]
C[C@H]1CO[C@H](CO)CN1C(=O)CSc1nccn1C(C)(C)C CC(C)(C)[*:1] C[C@H]1CO[C@H](CO)CN1C(=O)CSc1nccn1[*:1]
CCn1nc(C)cc1C(=O)NCC(=O)NCCc1c[nH]c2ccccc12 CCn1nc(C)cc1[*:1] O=C(CNC(=O)[*:1])NCCc1c[nH]c2ccccc12
C#CCN1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 CC(C)(C)[*:1] C#CCN1CCN(CC1)C(=O)N[C@@H](CC[NH+](C)C)[*:1]
C#CCN1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 C#CC[*:1] C[NH+](C)CC[C@H](NC(=O)N1CCN(CC1)[*:1])C(C)(C)C
Cc1cccc(SCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)SCC(=O)N1CCN(CC1)S(=O)(=O)C=C[*:1]
Cc1cccc(SCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 Cc1cccc(c1)S[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
Cc1cccc(SCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 C(=C[*:1])c1ccccc1 Cc1cccc(c1)SCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(SCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 Cc1cccc(c1)SC[*:1] O=C(N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1)[*:1]
Cc1cccc(SCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CS[*:1])N1CCN(CC1)S(=O)(=O)/C=C/c1ccccc1
C[C@H](Cc1ccc(F)cc1)NC(=O)c1n[nH]c(C2CC2)n1 C1CC1[*:1] C[C@H](Cc1ccc(F)cc1)NC(=O)c1n[nH]c(n1)[*:1]
C[C@H](Cc1ccc(F)cc1)NC(=O)c1n[nH]c(C2CC2)n1 Fc1ccc(cc1)[*:1] C[C@H](C[*:1])NC(=O)c1n[nH]c(n1)C1CC1
COc1ccc(C(=O)NC(=O)CSc2ccc(C(C)C)cc2)cc1 COc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)SCC(=O)NC(=O)[*:1]
COc1ccc(C(=O)NC(=O)CSc2ccc(C(C)C)cc2)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)NC(=O)CSc1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2C[C@@H](c3cccc(OC)c3)n3nc(N)nc3N2)cc1 CCOc1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1C[C@H](Nc2nc(N)nn21)[*:1]
CCOc1ccc([C@@H]2C[C@@H](c3cccc(OC)c3)n3nc(N)nc3N2)cc1 CCO[*:1] COc1cccc(c1)[C@@H]1C[C@H](Nc2nc(N)nn21)c1ccc(cc1)[*:1]
CCOc1ccc([C@@H]2C[C@@H](c3cccc(OC)c3)n3nc(N)nc3N2)cc1 COc1cccc(c1)[*:1] CCOc1ccc(cc1)[C@@H]1C[C@@H](n2nc(N)nc2N1)[*:1]
COc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)C)cc1F CC(C)C[*:1] COc1ccc(cc1F)[C@@H](C)[NH2+][C@H](C)[*:1]
COc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)C)cc1F CC(C)[*:1] COc1ccc(cc1F)[C@@H](C)[NH2+][C@H](C)C[*:1]
O=C([O-])c1ccc(-c2ccsc2)cc1 O=C([O-])[*:1] c1cc(cs1)-c1ccc(cc1)[*:1]
CS(=O)(=O)c1ccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3[nH]cnc32)cc1 c1ccc(cc1)C[*:1] CS(=O)(=O)c1ccc(cc1)-n1c(=O)n(c(=O)c2[nH]cnc21)[*:1]
CS(=O)(=O)c1ccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3[nH]cnc32)cc1 c1ccc(cc1)[*:1] CS(=O)(=O)c1ccc(cc1)-n1c(=O)n(C[*:1])c(=O)c2[nH]cnc21
CS(=O)(=O)c1ccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3[nH]cnc32)cc1 CS(=O)(=O)[*:1] O=c1c2[nH]cnc2n(-c2ccc(cc2)[*:1])c(=O)n1Cc1ccccc1
CS[C@H]1CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)C1 CS[C@H]1CC[C@H](C1)[*:1] CC(C)[C@H](CNC(=O)N[*:1])[NH+]1CCCC1
CS[C@H]1CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)C1 CC(C)[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)NC[C@@H]([NH+]1CCCC1)[*:1]
O=c1nc([O-])c([N+](=O)[O-])cn1Cc1nccs1 c1csc(n1)[*:1] O=c1nc([O-])c(cn1C[*:1])[N+](=O)[O-]
O=c1nc([O-])c([N+](=O)[O-])cn1Cc1nccs1 O=[N+]([O-])[*:1] O=c1nc([O-])c(cn1Cc1nccs1)[*:1]
N#Cc1cccc(C[NH+]2CCC(CNc3nccc4nc(C(F)(F)F)ccc34)CC2)c1 FC(F)(F)[*:1] N#Cc1cccc(c1)C[NH+]1CCC(CC1)CNc1nccc2nc(ccc12)[*:1]
N#Cc1cccc(C[NH+]2CCC(CNc3nccc4nc(C(F)(F)F)ccc34)CC2)c1 N#Cc1cccc(c1)C[*:1] FC(F)(F)c1ccc2c(nccc2n1)NCC1CC[NH+](CC1)[*:1]
N#Cc1cccc(C[NH+]2CCC(CNc3nccc4nc(C(F)(F)F)ccc34)CC2)c1 N#Cc1cccc(c1)[*:1] FC(F)(F)c1ccc2c(nccc2n1)NCC1CC[NH+](CC1)C[*:1]
CN(Cc1cccs1)C(=O)c1csc(Cc2ccccc2)n1 c1ccc(cc1)[*:1] CN(Cc1cccs1)C(=O)c1csc(C[*:1])n1
CN(Cc1cccs1)C(=O)c1csc(Cc2ccccc2)n1 c1csc(c1)[*:1] CN(C[*:1])C(=O)c1csc(Cc2ccccc2)n1
CN(Cc1cccs1)C(=O)c1csc(Cc2ccccc2)n1 c1csc(c1)C[*:1] CN(C(=O)c1csc(Cc2ccccc2)n1)[*:1]
CN(Cc1cccs1)C(=O)c1csc(Cc2ccccc2)n1 c1ccc(cc1)C[*:1] CN(Cc1cccs1)C(=O)c1csc(n1)[*:1]
CN(Cc1ccccc1Cl)S(=O)(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C Clc1ccccc1C[*:1] CN(S(=O)(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[*:1]
CN(Cc1ccccc1Cl)S(=O)(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C Clc1ccccc1[*:1] CN(C[*:1])S(=O)(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
COc1ccc(NC(=O)Cn2nc(C(=O)Nc3ccccc3)ccc2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)Cn1nc(ccc1=O)C(=O)N[*:1]
COc1ccc(NC(=O)Cn2nc(C(=O)Nc3ccccc3)ccc2=O)cc1 O=C(Nc1ccccc1)[*:1] COc1ccc(cc1)NC(=O)Cn1nc(ccc1=O)[*:1]
COc1ccc(NC(=O)Cn2nc(C(=O)Nc3ccccc3)ccc2=O)cc1 COc1ccc(cc1)[*:1] O=C(Cn1nc(ccc1=O)C(=O)Nc1ccccc1)N[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Cn1nc2ccccn2c1=O CC(C)[*:1] C[C@@H]1CC[C@@H]([C@@H](C1)NC(=O)Cn1nc2ccccn2c1=O)[*:1]
O[C@@H](C[C@H]1CCCN1c1cccc(F)n1)c1ccccc1 c1ccc(cc1)[*:1] O[C@@H](C[C@H]1CCCN1c1cccc(F)n1)[*:1]
O[C@@H](C[C@H]1CCCN1c1cccc(F)n1)c1ccccc1 Fc1cccc(n1)[*:1] O[C@@H](C[C@H]1CCCN1[*:1])c1ccccc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C([C@H](Cc1ccccc1)NC(=O)[*:1])N1CCN(CC1)c1ncccn1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] O=C(N[C@@H](C[*:1])C(=O)N1CCN(CC1)c1ncccn1)c1ccc(Cl)cc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] O=C(N[C@@H](C(=O)N1CCN(CC1)c1ncccn1)[*:1])c1ccc(Cl)cc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 c1cnc(nc1)[*:1] O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(CC1)[*:1])c1ccc(Cl)cc1
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 O=C(N[*:1])c1ccc(Cl)cc1 O=C([C@H](Cc1ccccc1)[*:1])N1CCN(CC1)c1ncccn1
O=C(Nc1ccccn1)c1ccc(COc2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] O=C(Nc1ccccn1)c1ccc(CO[*:1])o1
O=C(Nc1ccccn1)c1ccc(COc2ccc(F)cc2)o1 c1ccc(nc1)[*:1] O=C(N[*:1])c1ccc(COc2ccc(F)cc2)o1
O=C(Nc1ccc(OS(=O)(=O)c2ccccc2Br)cc1)C1CC1 O=C(N[*:1])C1CC1 O=S(=O)(Oc1ccc(cc1)[*:1])c1ccccc1Br
O=C(Nc1ccc(OS(=O)(=O)c2ccccc2Br)cc1)C1CC1 C1CC1[*:1] O=C(Nc1ccc(cc1)OS(=O)(=O)c1ccccc1Br)[*:1]
O=C(Nc1ccc(OS(=O)(=O)c2ccccc2Br)cc1)C1CC1 Brc1ccccc1[*:1] O=C(Nc1ccc(cc1)OS(=O)(=O)[*:1])C1CC1
C[NH+](C)CCOc1ccc(/C=C/C=O)cc1 O=CC=C[*:1] C[NH+](C)CCOc1ccc(cc1)[*:1]
CC(C)CCNc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C Clc1ccccc1[*:1] CC(C)CCNc1nc2c(c(=O)n(C[*:1])c(=O)n2C)n1C
CC(C)CCNc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C CC(C)CCN[*:1] Cn1c(nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C)[*:1]
CC(C)CCNc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C Clc1ccccc1C[*:1] CC(C)CCNc1nc2c(c(=O)n(c(=O)n2C)[*:1])n1C
CC(C)CCNc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C CC(C)[*:1] Cn1c(nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C)NCC[*:1]
CC(C)CCNc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C CC(C)C[*:1] Cn1c(nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C)NC[*:1]
CC(C)CCNc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C CC(C)CC[*:1] Cn1c(nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C)N[*:1]
CNC(=O)CN1CCN(C(=O)CCSCc2ccccn2)CC1 c1ccc(nc1)[*:1] CNC(=O)CN1CCN(CC1)C(=O)CCSC[*:1]
CNC(=O)CN1CCN(C(=O)CCSCc2ccccn2)CC1 CNC(=O)[*:1] O=C(CCSCc1ccccn1)N1CCN(CC1)C[*:1]
CNC(=O)CN1CCN(C(=O)CCSCc2ccccn2)CC1 c1ccc(C[*:1])nc1 CNC(=O)CN1CCN(CC1)C(=O)CCS[*:1]
CNC(=O)CN1CCN(C(=O)CCSCc2ccccn2)CC1 CNC(=O)C[*:1] O=C(CCSCc1ccccn1)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NS(=O)(=O)c2ccccc2)CCC3)cc1 Cc1ccc(cc1)NC(=O)[*:1] Cc1c(oc2CCC/C(=N\NS(=O)(=O)c3ccccc3)c21)[*:1]
Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NS(=O)(=O)c2ccccc2)CCC3)cc1 Cc1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NS(=O)(=O)c3ccccc3)c21)C(=O)N[*:1]
Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NS(=O)(=O)c2ccccc2)CCC3)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1oc2CCC/C(=N\NS(=O)(=O)[*:1])c2c1C
COc1ccc2c(c1)N(CC(=O)N(CC(C)C)CC(F)(F)F)CCO2 CC(C)[*:1] COc1ccc2OCCN(CC(=O)N(CC(F)(F)F)C[*:1])c2c1
COc1ccc2c(c1)N(CC(=O)N(CC(C)C)CC(F)(F)F)CCO2 CC(C)C[*:1] COc1ccc2OCCN(CC(=O)N(CC(F)(F)F)[*:1])c2c1
COc1ccc2c(c1)N(CC(=O)N(CC(C)C)CC(F)(F)F)CCO2 FC(F)(F)[*:1] COc1ccc2OCCN(CC(=O)N(CC(C)C)C[*:1])c2c1
COc1ccc2c(c1)N(CC(=O)N(CC(C)C)CC(F)(F)F)CCO2 FC(F)(F)C[*:1] COc1ccc2OCCN(CC(=O)N(CC(C)C)[*:1])c2c1
O=C(CCCc1ccccc1)Nc1cccc2ncccc12 c1ccc(cc1)C[*:1] O=C(CC[*:1])Nc1cccc2ncccc12
O=C(CCCc1ccccc1)Nc1cccc2ncccc12 c1ccc(cc1)[*:1] O=C(CCC[*:1])Nc1cccc2ncccc12
CCOC(=O)C1(C)CCN(C(=O)N[C@H](CC(C)C)c2ccccc2)CC1 c1ccc(cc1)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)N[C@H](CC(C)C)[*:1]
CCOC(=O)C1(C)CCN(C(=O)N[C@H](CC(C)C)c2ccccc2)CC1 CCOC(=O)[*:1] CC(C)C[C@@H](NC(=O)N1CCC(C)(CC1)[*:1])c1ccccc1
CCOC(=O)C1(C)CCN(C(=O)N[C@H](CC(C)C)c2ccccc2)CC1 CC(C)C[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)N[C@H](c1ccccc1)[*:1]
CCOC(=O)C1(C)CCN(C(=O)N[C@H](CC(C)C)c2ccccc2)CC1 CC(C)[*:1] CCOC(=O)C1(C)CCN(CC1)C(=O)N[C@H](C[*:1])c1ccccc1
[NH3+]CCn1cc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)nn1 [NH3+]CC[*:1] O=C1NCCN(C(=O)c2cn(nn2)[*:1])[C@H]1c1cccc(F)c1
[NH3+]CCn1cc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)nn1 Fc1cccc(c1)[*:1] [NH3+]CCn1cc(nn1)C(=O)N1CCNC(=O)[C@H]1[*:1]
CCCc1noc(C[S@](=O)[C@@H](C)c2nc(-c3ccccc3C)no2)n1 CCCc1noc(n1)[*:1] Cc1ccccc1-c1noc(n1)[C@H](C)[S@@](=O)C[*:1]
CCCc1noc(C[S@](=O)[C@@H](C)c2nc(-c3ccccc3C)no2)n1 Cc1ccccc1[*:1] CCCc1noc(C[S@](=O)[C@@H](C)c2nc(no2)[*:1])n1
CCCc1noc(C[S@](=O)[C@@H](C)c2nc(-c3ccccc3C)no2)n1 CCC[*:1] Cc1ccccc1-c1noc(n1)[C@H](C)[S@@](=O)Cc1nc(no1)[*:1]
Cc1ccc(C[NH+]2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 Cc1ccc(cc1)C[*:1] O=c1oc2c3C[NH+](COc3ccc2c2CCCc21)[*:1]
Cc1ccc(C[NH+]2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 Cc1ccc(cc1)[*:1] O=c1oc2c3C[NH+](COc3ccc2c2CCCc21)C[*:1]
N#C[C@H](NC(=O)CCC(=O)c1ccc(F)c(F)c1)c1ccccc1F Fc1ccc(cc1F)[*:1] N#C[C@H](NC(=O)CCC(=O)[*:1])c1ccccc1F
N#C[C@H](NC(=O)CCC(=O)c1ccc(F)c(F)c1)c1ccccc1F Fc1ccccc1[*:1] N#C[C@H](NC(=O)CCC(=O)c1ccc(F)c(F)c1)[*:1]
CCCC[C@@]1(c2ccccc2)Nc2ccccc2C(=O)N1C c1ccc(cc1)[*:1] CCCC[C@]1(Nc2ccccc2C(=O)N1C)[*:1]
CCCC[C@@]1(c2ccccc2)Nc2ccccc2C(=O)N1C CCCC[*:1] CN1C(=O)c2ccccc2N[C@@]1(c1ccccc1)[*:1]
CCCC[C@@]1(c2ccccc2)Nc2ccccc2C(=O)N1C CCC[*:1] CN1C(=O)c2ccccc2N[C@@]1(C[*:1])c1ccccc1
O=C(NNC1=Nc2cc(Br)ccc2N(c2ccccc2)N1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NNC1=Nc2cc(Br)ccc2N(N1)c1ccccc1)[*:1]
O=C(NNC1=Nc2cc(Br)ccc2N(c2ccccc2)N1)c1ccc(F)cc1 c1ccc(cc1)[*:1] O=C(NNC1=Nc2cc(Br)ccc2N(N1)[*:1])c1ccc(F)cc1
CCOc1ccc(CN2CCN(C(=O)c3cc(C#N)cn3C)CC2)cc1 CCO[*:1] Cn1cc(C#N)cc1C(=O)N1CCN(CC1)Cc1ccc(cc1)[*:1]
CCOc1ccc(CN2CCN(C(=O)c3cc(C#N)cn3C)CC2)cc1 Cn1cc(C#N)cc1[*:1] CCOc1ccc(cc1)CN1CCN(CC1)C(=O)[*:1]
COc1cc(C(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)ccc1C c1ccc(cc1)[*:1] COc1cc(ccc1C)C(=O)N[C@@H](Cc1ncc[nH]1)[*:1]
COc1cc(C(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)ccc1C c1c[nH]c(n1)[*:1] COc1cc(ccc1C)C(=O)N[C@@H](C[*:1])c1ccccc1
COc1cc(C(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)ccc1C c1c[nH]c(C[*:1])n1 COc1cc(ccc1C)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1ccc(NC(=O)CCNC(=O)N(C)C[C@H](C)O)c(Cl)c1 C[C@H](O)[*:1] Cc1ccc(NC(=O)CCNC(=O)N(C)C[*:1])c(Cl)c1
O=C(COCC(F)(F)F)Nc1ccc(Cl)c(Br)c1 FC(F)(F)C[*:1] O=C(CO[*:1])Nc1ccc(Cl)c(Br)c1
O=C(COCC(F)(F)F)Nc1ccc(Cl)c(Br)c1 FC(F)(F)CO[*:1] O=C(C[*:1])Nc1ccc(Cl)c(Br)c1
O=C(COCC(F)(F)F)Nc1ccc(Cl)c(Br)c1 FC(F)(F)[*:1] O=C(COC[*:1])Nc1ccc(Cl)c(Br)c1
O=C(NCc1ccc(Cl)cc1)[C@@H]1C=C(c2cccnc2)N=N1 Clc1ccc(cc1)[*:1] O=C(NC[*:1])[C@@H]1C=C(N=N1)c1cccnc1
O=C(NCc1ccc(Cl)cc1)[C@@H]1C=C(c2cccnc2)N=N1 c1cncc(c1)[*:1] O=C(NCc1ccc(Cl)cc1)[C@@H]1C=C(N=N1)[*:1]
COCCOCC(=O)NCc1ccccc1Cl COCCO[*:1] O=C(C[*:1])NCc1ccccc1Cl
COCCOCC(=O)NCc1ccccc1Cl COC[*:1] O=C(COC[*:1])NCc1ccccc1Cl
COCCOCC(=O)NCc1ccccc1Cl COCC[*:1] O=C(CO[*:1])NCc1ccccc1Cl
CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O Clc1ccc(cc1)[*:1] CC[C@H](C)NC(=O)CN1CCN(CC1=O)C(=O)N[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O CC[C@H](C)NC(=O)C[*:1] O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)C1)[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O CC[C@H](C)[*:1] O=C(CN1CCN(CC1=O)C(=O)Nc1ccc(Cl)cc1)N[*:1]
CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O CC[C@H](C)NC(=O)[*:1] O=C1CN(CCN1C[*:1])C(=O)Nc1ccc(Cl)cc1
COc1ccccc1N1CCN(S(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)CC1 O=C(N1CCCC1)[*:1] COc1ccccc1N1CCN(CC1)S(=O)(=O)c1cc(cs1)[*:1]
COc1ccccc1N1CCN(S(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)CC1 COc1ccccc1[*:1] O=C(c1csc(c1)S(=O)(=O)N1CCN(CC1)[*:1])N1CCCC1
Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] Cc1cc(C)cc(c1)OCC(=O)N1CCN(CC1)[*:1]
Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CO[*:1])N1CCN(CC1)c1ccc(F)cc1
NC(=O)CCCNC(=O)c1ccccc1Br NC(=O)[*:1] O=C(NCCC[*:1])c1ccccc1Br
NC(=O)CCCNC(=O)c1ccccc1Br NC(=O)C[*:1] O=C(NCC[*:1])c1ccccc1Br
NC(=O)CCCNC(=O)c1ccccc1Br NC(=O)CC[*:1] O=C(NC[*:1])c1ccccc1Br
CCn1ncc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(C(F)(F)F)nn2C)c1C FC(F)(F)[*:1] CCn1ncc(c1C)S(=O)(=O)N1CCCCC[C@@H]1c1cc(nn1C)[*:1]
CCn1ncc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(C(F)(F)F)nn2C)c1C CCn1ncc(c1C)[*:1] Cn1nc(cc1[C@H]1CCCCCN1S(=O)(=O)[*:1])C(F)(F)F
O=C([O-])[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 O=S(=O)(N1CCCCC1)[*:1] O=C([O-])[C@@H]1CCCN(C1)c1ccc2cc(ccc2n1)[*:1]
O=C([O-])[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 O=C([O-])[*:1] O=S(=O)(c1ccc2nc(ccc2c1)N1CCC[C@H](C1)[*:1])N1CCCCC1
O=C(Oc1ccc(/C=N/c2cccc(Br)c2)cc1)c1ccncc1 c1cc(ccn1)[*:1] O=C(Oc1ccc(/C=N/c2cccc(Br)c2)cc1)[*:1]
O=C(Oc1ccc(/C=N/c2cccc(Br)c2)cc1)c1ccncc1 Brc1cccc(c1)[*:1] O=C(Oc1ccc(C=N[*:1])cc1)c1ccncc1
CC(C)c1cccc(NC(=O)C(=O)NCCCn2cnc3ccccc32)c1 CC(C)[*:1] O=C(NCCCn1cnc2ccccc21)C(=O)Nc1cccc(c1)[*:1]
CC(C)c1cccc(NC(=O)C(=O)NCCCn2cnc3ccccc32)c1 c1ccc2c(c1)ncn2[*:1] CC(C)c1cccc(c1)NC(=O)C(=O)NCCC[*:1]
CC(C)c1cccc(NC(=O)C(=O)NCCCn2cnc3ccccc32)c1 CC(C)c1cccc(c1)[*:1] O=C(NCCCn1cnc2ccccc21)C(=O)N[*:1]
Cc1cccc(OC2CCN(C(=O)C[C@@H]3NC(=O)N(c4ccccc4)C3=O)CC2)c1 Cc1cccc(c1)O[*:1] O=C(C[C@@H]1NC(=O)N(C1=O)c1ccccc1)N1CCC(CC1)[*:1]
Cc1cccc(OC2CCN(C(=O)C[C@@H]3NC(=O)N(c4ccccc4)C3=O)CC2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OC1CCN(CC1)C(=O)C[C@@H]1NC(=O)N(C1=O)[*:1]
Cc1cccc(OC2CCN(C(=O)C[C@@H]3NC(=O)N(c4ccccc4)C3=O)CC2)c1 Cc1cccc(c1)[*:1] O=C(C[C@@H]1NC(=O)N(C1=O)c1ccccc1)N1CCC(CC1)O[*:1]
C[C@@H](SC[C@H](O)CO)C(=O)Nc1ccc(F)cc1N OC[C@@H](O)CS[*:1] C[C@@H](C(=O)Nc1ccc(F)cc1N)[*:1]
C[C@@H](SC[C@H](O)CO)C(=O)Nc1ccc(F)cc1N OC[C@@H](O)[*:1] C[C@@H](SC[*:1])C(=O)Nc1ccc(F)cc1N
C[C@@H](SC[C@H](O)CO)C(=O)Nc1ccc(F)cc1N OC[C@@H](O)C[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(F)cc1N
CCC[C@@H]1C[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 CCC[C@@H]1C[C@@H]1[*:1] CN1CCC(CC1)(CNC(=O)N[*:1])[NH+]1CCCCC1
CCC[C@@H]1C[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 CCC[*:1] CN1CCC(CC1)(CNC(=O)N[C@@H]1C[C@H]1[*:1])[NH+]1CCCCC1
C#CCN1CCC(C(=O)N[C@H]2CCCCC[C@H]2C(=O)OC)CC1 COC(=O)[*:1] C#CCN1CCC(CC1)C(=O)N[C@H]1CCCCC[C@@H]1[*:1]
C#CCN1CCC(C(=O)N[C@H]2CCCCC[C@H]2C(=O)OC)CC1 C#CC[*:1] COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)C1CCN(CC1)[*:1]
CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccc(cc1)[*:1]
O=C(CCNC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2C1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCNC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2C1)N1CCN(CC1)[*:1]
CNc1nc2c(C)cccn2c(=O)c1/C=N/c1ccccc1 c1ccc(cc1)[*:1] CNc1nc2c(C)cccn2c(=O)c1C=N[*:1]
CCn1c(S[C@@H](C)C(=O)c2ccccc2)n[nH]c1=O c1ccc(cc1)[*:1] CCn1c(n[nH]c1=O)S[C@@H](C)C(=O)[*:1]
C[C@H]1CCCC/C1=C\C(=O)[O-] O=C([O-])[*:1] C[C@H]1CCCCC1=C[*:1]
COc1cccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)c1 Fc1ccccc1[*:1] COc1cccc(c1)CC(=O)Nc1ccc(C)c(c1)S(=O)(=O)N[*:1]
COc1cccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccccc1F)NC(=O)C[*:1]
COc1cccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)c1 COc1cccc(c1)C[*:1] Cc1ccc(cc1S(=O)(=O)Nc1ccccc1F)NC(=O)[*:1]
CCn1c(-c2cc(NC(=O)COC)[nH]n2)cc2ccccc21 COCC(=O)N[*:1] CCn1c(cc2ccccc21)-c1cc([nH]n1)[*:1]
CCn1c(-c2cc(NC(=O)COC)[nH]n2)cc2ccccc21 COC[*:1] CCn1c(cc2ccccc21)-c1cc(NC(=O)[*:1])[nH]n1
CCCNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 CCC[*:1] O=C(N[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1Cl
O=C(C[NH+]1CC=C(c2ccccc2Cl)CC1)NCc1ccccn1 Clc1ccccc1[*:1] O=C(C[NH+]1CC=C(CC1)[*:1])NCc1ccccn1
O=C(C[NH+]1CC=C(c2ccccc2Cl)CC1)NCc1ccccn1 c1ccc(C[*:1])nc1 O=C(C[NH+]1CC=C(CC1)c1ccccc1Cl)N[*:1]
O=C(C[NH+]1CC=C(c2ccccc2Cl)CC1)NCc1ccccn1 c1ccc(nc1)[*:1] O=C(C[NH+]1CC=C(CC1)c1ccccc1Cl)NC[*:1]
C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(c(c1)[*:1])-n1cncn1
C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 c1ncn(n1)[*:1] C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(c(c1)C(F)(F)F)[*:1]
C[C@](O)(CNC(=O)c1cnccn1)CN1CCOCC1 c1cnc(cn1)[*:1] C[C@](O)(CNC(=O)[*:1])CN1CCOCC1
C[C@](O)(CNC(=O)c1cnccn1)CN1CCOCC1 C1CN(CCO1)[*:1] C[C@](O)(CNC(=O)c1cnccn1)C[*:1]
Cc1cc(C2=N/C(=C\c3cc4c(cc3Cl)OCO4)C(=O)O2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C1OC(=N/C1=C\c1cc2OCOc2cc1Cl)[*:1]
C[C@@H](CNC(=O)c1cnccn1)c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1cnccn1)c1nc(no1)[*:1]
C[C@@H](CNC(=O)c1cnccn1)c1nc(-c2ccccc2)no1 c1cnc(cn1)[*:1] C[C@@H](CNC(=O)[*:1])c1nc(no1)-c1ccccc1
Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@H](C)CC[C@@H]1C FC(F)[*:1] Cc1nn(c(C)c1CC(=O)N1C[C@H](C)CC[C@@H]1C)[*:1]
Cc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](C)SC[C@H](C)CO)c1C C[C@H](CO)CS[*:1] Cc1ccc(c(NC(=O)[C@@H](C)[*:1])c1C)[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](C)SC[C@H](C)CO)c1C C[C@H](CO)C[*:1] Cc1ccc(c(NC(=O)[C@@H](C)S[*:1])c1C)[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](C)SC[C@H](C)CO)c1C C[C@H](CO)[*:1] Cc1ccc(c(NC(=O)[C@@H](C)SC[*:1])c1C)[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](C)SC[C@H](C)CO)c1C O=[N+]([O-])[*:1] Cc1ccc(c(NC(=O)[C@@H](C)SC[C@H](C)CO)c1C)[*:1]
c1csc(CNc2ccc3ccccc3c2)c1 c1csc(c1)[*:1] c1ccc2cc(ccc2c1)NC[*:1]
CC[C@H](NC(=O)Nc1cc(COC)ncn1)c1cccc([N+](=O)[O-])c1 COC[*:1] CC[C@H](NC(=O)Nc1cc(ncn1)[*:1])c1cccc(c1)[N+](=O)[O-]
CC[C@H](NC(=O)Nc1cc(COC)ncn1)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@H](NC(=O)Nc1cc(COC)ncn1)c1cccc(c1)[*:1]
CSCC[C@@H]1NC(=S)N([C@@H](C)c2ccccc2C(F)(F)F)C1=O CSC[*:1] C[C@@H](c1ccccc1C(F)(F)F)N1C(=O)[C@H](C[*:1])NC1=S
CSCC[C@@H]1NC(=S)N([C@@H](C)c2ccccc2C(F)(F)F)C1=O CSCC[*:1] C[C@@H](c1ccccc1C(F)(F)F)N1C(=O)[C@@H](NC1=S)[*:1]
CSCC[C@@H]1NC(=S)N([C@@H](C)c2ccccc2C(F)(F)F)C1=O FC(F)(F)[*:1] CSCC[C@@H]1NC(=S)N(C1=O)[C@@H](C)c1ccccc1[*:1]
COCC[NH2+]Cc1c[nH]nc1-c1cnn(C)c1 COC[*:1] Cn1cc(cn1)-c1n[nH]cc1C[NH2+]C[*:1]
COCC[NH2+]Cc1c[nH]nc1-c1cnn(C)c1 COCC[*:1] Cn1cc(cn1)-c1n[nH]cc1C[NH2+][*:1]
O=C([O-])CNC(=O)NCc1ccc(Cl)cc1 O=C([O-])C[*:1] O=C(NCc1ccc(Cl)cc1)N[*:1]
O=C([O-])CNC(=O)NCc1ccc(Cl)cc1 O=C([O-])[*:1] O=C(NCc1ccc(Cl)cc1)NC[*:1]
CCOc1ccccc1NC(=O)[C@@H](Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)[C@@H](Nc1ccccc1)[*:1]
CCOc1ccccc1NC(=O)[C@@H](Nc1ccccc1)c1ccccc1 c1ccc(cc1)N[*:1] CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[*:1]
CCOc1ccccc1NC(=O)[C@@H](Nc1ccccc1)c1ccccc1 CCO[*:1] O=C(Nc1ccccc1[*:1])[C@@H](Nc1ccccc1)c1ccccc1
CCOc1ccccc1NC(=O)[C@@H](Nc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)[C@@H](N[*:1])c1ccccc1
O=C(NC(=S)Nc1c(O)ccc2ccccc12)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NC(=S)Nc1c(O)ccc2ccccc12)[*:1]
COC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1C COC(=O)[C@@H](C)[*:1] COc1cc(C)c(cc1OC)S(=O)(=O)N[*:1]
COC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1C COC(=O)[*:1] COc1cc(C)c(cc1OC)S(=O)(=O)N[C@H](C)[*:1]
O=C(c1ccc[nH]1)N(Cc1ccsc1)Cc1ccco1 c1cc(cs1)[*:1] O=C(c1ccc[nH]1)N(Cc1ccco1)C[*:1]
O=C(c1ccc[nH]1)N(Cc1ccsc1)Cc1ccco1 c1coc(c1)C[*:1] O=C(c1ccc[nH]1)N(Cc1ccsc1)[*:1]
O=C(c1ccc[nH]1)N(Cc1ccsc1)Cc1ccco1 c1c[nH]c(c1)[*:1] O=C(N(Cc1ccsc1)Cc1ccco1)[*:1]
O=C(c1ccc[nH]1)N(Cc1ccsc1)Cc1ccco1 c1coc(c1)[*:1] O=C(c1ccc[nH]1)N(Cc1ccsc1)C[*:1]
O=C(c1ccc[nH]1)N(Cc1ccsc1)Cc1ccco1 c1cc(cs1)C[*:1] O=C(c1ccc[nH]1)N(Cc1ccco1)[*:1]
O=C(/C=C/c1cccs1)N(Cc1ccco1)c1ccccn1 c1csc(c1)[*:1] O=C(C=C[*:1])N(Cc1ccco1)c1ccccn1
O=C(/C=C/c1cccs1)N(Cc1ccco1)c1ccccn1 c1coc(c1)[*:1] O=C(/C=C/c1cccs1)N(C[*:1])c1ccccn1
O=C(/C=C/c1cccs1)N(Cc1ccco1)c1ccccn1 C(=C[*:1])c1cccs1 O=C(N(Cc1ccco1)c1ccccn1)[*:1]
O=C(/C=C/c1cccs1)N(Cc1ccco1)c1ccccn1 c1ccc(nc1)[*:1] O=C(/C=C/c1cccs1)N(Cc1ccco1)[*:1]
O=C(/C=C/c1cccs1)N(Cc1ccco1)c1ccccn1 c1coc(c1)C[*:1] O=C(/C=C/c1cccs1)N(c1ccccn1)[*:1]
CCOC(=O)C1=C(C)C(C(=O)COc2cccc(Cl)c2)=N[C@@H]1C Clc1cccc(c1)[*:1] CCOC(=O)C1=C(C)C(=N[C@@H]1C)C(=O)CO[*:1]
CCOC(=O)C1=C(C)C(C(=O)COc2cccc(Cl)c2)=N[C@@H]1C CCOC(=O)[*:1] CC1C(=N[C@H](C)C=1[*:1])C(=O)COc1cccc(Cl)c1
FC(F)(F)c1cccc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)c1 FC(F)(F)[*:1] c1cc(cc(c1)[*:1])-c1cccc(n1)[C@@H]1CCC[NH2+]C1
C[C@H](NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc2c(c1)OCCO2 FC(F)(F)C[*:1] C[C@H](NC(=O)N[C@@H]1CCN(C1)[*:1])c1ccc2OCCOc2c1
C[C@H](NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc2c(c1)OCCO2 FC(F)(F)[*:1] C[C@H](NC(=O)N[C@@H]1CCN(C1)C[*:1])c1ccc2OCCOc2c1
O=C(NCC1CCC(C(=O)Nc2cccnc2)CC1)c1nnc2ccnn2c1[O-] c1cncc(c1)[*:1] O=C(NCC1CCC(CC1)C(=O)N[*:1])c1nnc2ccnn2c1[O-]
O=C(NCC1CCC(C(=O)Nc2cccnc2)CC1)c1nnc2ccnn2c1[O-] O=C(Nc1cccnc1)[*:1] O=C(NCC1CCC(CC1)[*:1])c1nnc2ccnn2c1[O-]
CC1CCC(N(C(=O)CN(C)CCC#N)C2CC2)CC1 CN(CCC#N)[*:1] CC1CCC(CC1)N(C(=O)C[*:1])C1CC1
CC1CCC(N(C(=O)CN(C)CCC#N)C2CC2)CC1 N#CCC[*:1] CC1CCC(CC1)N(C(=O)CN(C)[*:1])C1CC1
CC1CCC(N(C(=O)CN(C)CCC#N)C2CC2)CC1 N#CC[*:1] CC1CCC(CC1)N(C(=O)CN(C)C[*:1])C1CC1
CC1CCC(N(C(=O)CN(C)CCC#N)C2CC2)CC1 C1CC1[*:1] CC1CCC(CC1)N(C(=O)CN(C)CCC#N)[*:1]
CCC[NH2+][C@H](C[C@H]1CCCO1)c1cc(C)c(F)cc1F C1CO[C@H](C1)C[*:1] CCC[NH2+][C@H](c1cc(C)c(F)cc1F)[*:1]
CCC[NH2+][C@H](C[C@H]1CCCO1)c1cc(C)c(F)cc1F C1CO[C@H](C1)[*:1] CCC[NH2+][C@H](C[*:1])c1cc(C)c(F)cc1F
CCC[NH2+][C@H](C[C@H]1CCCO1)c1cc(C)c(F)cc1F CCC[*:1] Cc1cc(c(F)cc1F)[C@@H](C[C@H]1CCCO1)[NH2+][*:1]
Cc1nonc1C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Cc1nonc1[*:1] CN1C(=O)C[C@H](NC(=O)[*:1])[C@H]1c1ccc(Cl)cc1
Cc1nonc1C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nonc1C(=O)N[C@H]1CC(=O)N(C)[C@H]1[*:1]
CCSC[C@H](C)N(C)c1ccc2nnc(C(F)(F)F)n2n1 FC(F)(F)[*:1] CCSC[C@H](C)N(C)c1ccc2nnc(n2n1)[*:1]
CCSC[C@H](C)N(C)c1ccc2nnc(C(F)(F)F)n2n1 CCS[*:1] C[C@@H](C[*:1])N(C)c1ccc2nnc(n2n1)C(F)(F)F
CCSC[C@H](C)N(C)c1ccc2nnc(C(F)(F)F)n2n1 CCSC[*:1] C[C@H](N(C)c1ccc2nnc(n2n1)C(F)(F)F)[*:1]
O=C(COc1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccc(cc1)OC[C@@H]1CCCO1
O=C(COc1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 c1ccc(cc1)OC[*:1] O=C(Nc1ccc(cc1)OC[C@@H]1CCCO1)[*:1]
O=C(COc1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc(cc1)OC[C@@H]1CCCO1
O=C(COc1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)CO[*:1] O=C(COc1ccccc1)Nc1ccc(cc1)[*:1]
Cc1occc1-c1nnc(SCc2ccccc2)o1 c1ccc(cc1)[*:1] Cc1occc1-c1nnc(o1)SC[*:1]
Cc1occc1-c1nnc(SCc2ccccc2)o1 Cc1occc1[*:1] c1ccc(cc1)CSc1nnc(o1)[*:1]
C[NH2+][C@H](Cc1ccn(C2CCCC2)n1)[C@@H]1CN(C)CCO1 CN1CCO[C@@H](C1)[*:1] C[NH2+][C@H](Cc1ccn(n1)C1CCCC1)[*:1]
C[NH2+][C@H](Cc1ccn(C2CCCC2)n1)[C@@H]1CN(C)CCO1 C1CCC(C1)[*:1] C[NH2+][C@H](Cc1ccn(n1)[*:1])[C@@H]1CN(C)CCO1
O=C(CN1CCCc2ccccc21)N/N=C/c1ccc(N2CCOCC2)cc1 C1CN(CCO1)[*:1] O=C(CN1CCCc2ccccc21)N/N=C/c1ccc(cc1)[*:1]
CN[C@@H](Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CN(C)CCO1 CN1CCO[C@H](C1)[*:1] CN[C@@H](Cc1[nH+]cc(C)c(OC)c1C)[*:1]
O=C(CCOC1CCOCC1)NC[C@H]1Cc2ccccc2O1 C1CC(CCO1)[*:1] O=C(CCO[*:1])NC[C@H]1Cc2ccccc2O1
O=C(CCOC1CCOCC1)NC[C@H]1Cc2ccccc2O1 C1CC(CCO1)O[*:1] O=C(CC[*:1])NC[C@H]1Cc2ccccc2O1
O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2ccccn2)CC1 Clc1ccc(cc1)[*:1] O=C(C1CC[NH+](CC1)Cc1ccccn1)[*:1]
O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(c1ccc(Cl)cc1)C1CC[NH+](CC1)C[*:1]
O=C(c1ccc(Cl)cc1)C1CC[NH+](Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 O=C(c1ccc(Cl)cc1)C1CC[NH+](CC1)[*:1]
Cc1nc(Cl)sc1C(=O)N[C@@H]1CCCOc2ccccc21 Cc1nc(Cl)sc1[*:1] O=C(N[C@@H]1CCCOc2ccccc21)[*:1]
O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C1CCCN1c1cccc(c1)NC(=O)[*:1]
O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCCO1 O=C1CCCN1[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CCCO1
COC[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1 c1ccc(cc1)[*:1] COC[C@@H](N[C@H]1CCc2ccc(F)cc21)[*:1]
COC[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1 COC[*:1] Fc1ccc2CC[C@H](N[C@@H](c3ccccc3)[*:1])c2c1
CN(CC(C)(C)O)C(=O)COc1cc(Cl)c(Cl)cc1Cl CC(C)(O)[*:1] CN(C[*:1])C(=O)COc1cc(Cl)c(Cl)cc1Cl
CN(CC(C)(C)O)C(=O)COc1cc(Cl)c(Cl)cc1Cl CC(C)(O)C[*:1] CN(C(=O)COc1cc(Cl)c(Cl)cc1Cl)[*:1]
Cc1cc(C)cc(C(=O)Nc2cn(C)nc2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cc(C)cc(c1)C(=O)Nc1cn(C)nc1[*:1]
Cc1nnnn1-c1cccc(NC(=O)N[C@H](CO)Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)N[C@H](CO)C[*:1]
Cc1nnnn1-c1cccc(NC(=O)N[C@H](CO)Cc2ccccc2)c1 Cc1nnnn1[*:1] O=C(Nc1cccc(c1)[*:1])N[C@H](CO)Cc1ccccc1
Cc1nnnn1-c1cccc(NC(=O)N[C@H](CO)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1nnnn1-c1cccc(c1)NC(=O)N[C@H](CO)[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(F)cc1 CCC[C@H](C)[*:1] C[C@@H](Sc1ccc(F)cc1)C(=O)N[*:1]
CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(F)cc1 CCC[*:1] C[C@H](NC(=O)[C@@H](C)Sc1ccc(F)cc1)[*:1]
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc2c(C(=O)O[C@H]2CC(=O)NC[*:1])c1OC
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COc1ccc2c(C(=O)O[C@H]2CC(=O)N[*:1])c1OC
Cc1cccc(O[C@@H](C)CNC(=O)C[C@@H](O)c2cccc(F)c2)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)C[C@@H](O)c1cccc(F)c1)O[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)C[C@@H](O)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] Cc1cccc(c1)O[C@@H](C)CNC(=O)C[C@@H](O)[*:1]
Cc1cccc(O[C@@H](C)CNC(=O)C[C@@H](O)c2cccc(F)c2)c1 Cc1cccc(c1)O[*:1] C[C@@H](CNC(=O)C[C@@H](O)c1cccc(F)c1)[*:1]
COc1ccccc1[C@H]1C[C@H]1C(=O)NC(C)(C)c1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1[C@H]1C[C@H]1C(=O)NC(C)(C)[*:1]
COc1ccccc1[C@H]1C[C@H]1C(=O)NC(C)(C)c1cccc(F)c1 COc1ccccc1[*:1] CC(C)(NC(=O)[C@@H]1C[C@@H]1[*:1])c1cccc(F)c1
CC[NH2+]Cc1ccc(OCC(=O)NC2CCCC2)cn1 C1CCC(C1)[*:1] CC[NH2+]Cc1ccc(cn1)OCC(=O)N[*:1]
CSc1ccc(O[C@@H](C)C(=O)N(c2ccc(C#N)cc2)C2CC2)cc1 N#Cc1ccc(cc1)[*:1] CSc1ccc(cc1)O[C@@H](C)C(=O)N(C1CC1)[*:1]
CSc1ccc(O[C@@H](C)C(=O)N(c2ccc(C#N)cc2)C2CC2)cc1 C1CC1[*:1] CSc1ccc(cc1)O[C@@H](C)C(=O)N(c1ccc(C#N)cc1)[*:1]
CSc1ccc(O[C@@H](C)C(=O)N(c2ccc(C#N)cc2)C2CC2)cc1 CSc1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N(c1ccc(C#N)cc1)C1CC1
NS(=O)(=O)c1cnc(N[C@H]2C[C@H]3CCCc4cccc2c43)s1 NS(=O)(=O)[*:1] c1cc2CCC[C@@H]3C[C@H](Nc4ncc(s4)[*:1])c(c1)c23
C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N(C)CCC#N Fc1ccc(cc1)[*:1] C[C@@H](Sc1ncc(o1)[*:1])C(=O)N(C)CCC#N
C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N(C)CCC#N N#CC[*:1] C[C@@H](Sc1ncc(o1)-c1ccc(F)cc1)C(=O)N(C)C[*:1]
C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N(C)CCC#N N#CCC[*:1] C[C@@H](Sc1ncc(o1)-c1ccc(F)cc1)C(=O)N(C)[*:1]
COc1cc([C@H]([NH3+])C2CCCC2)ccc1Cl C1CCC(C1)[*:1] COc1cc(ccc1Cl)[C@H]([NH3+])[*:1]
[NH3+]CCc1cccc(OC/C(Cl)=C/Cl)c1 Cl/C=C(\Cl)[*:1] [NH3+]CCc1cccc(c1)OC[*:1]
[NH3+]CCc1cccc(OC/C(Cl)=C/Cl)c1 [NH3+]CC[*:1] Cl/C=C(\Cl)COc1cccc(c1)[*:1]
[NH3+]CCc1cccc(OC/C(Cl)=C/Cl)c1 Cl/C=C(\Cl)C[*:1] [NH3+]CCc1cccc(c1)O[*:1]
Cc1ccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccc(Cl)cc4F)c3C2=O)c(F)c1 Cc1ccc(c(F)c1)[*:1] Cc1nn(-c2ccc(Cl)cc2F)c2ncc3C(=O)N(C(=O)c3c12)[*:1]
Cc1ccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccc(Cl)cc4F)c3C2=O)c(F)c1 Fc1cc(Cl)ccc1[*:1] Cc1ccc(c(F)c1)N1C(=O)c2cnc3c(c(C)nn3[*:1])c2C1=O
CNC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)C[*:1] CNC(=O)c1ccc(cc1)[C@@H]1Nc2ccccc2C(=O)N1[*:1]
CNC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 CNC(=O)[*:1] O=C1c2ccccc2N[C@@H](c2ccc(cc2)[*:1])N1C[C@@H]1CCCO1
CNC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 C1CO[C@@H](C1)[*:1] CNC(=O)c1ccc(cc1)[C@@H]1Nc2ccccc2C(=O)N1C[*:1]
Cc1cc(F)cc(N[C@H](C(N)=O)c2c[nH+]cn2C)c1 NC(=O)[*:1] Cc1cc(F)cc(c1)N[C@H](c1c[nH+]cn1C)[*:1]
O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)N1CCC(CO)CC1 Clc1ccccc1[*:1] O=C(N[C@@H]1CCCN(C1=O)[*:1])N1CCC(CO)CC1
CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 CC(C)C[*:1] O=S1(=O)CC[C@H](C1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)[*:1]
CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 CC(C)[*:1] O=S1(=O)CC[C@H](C1)N(C[*:1])S(=O)(=O)c1ccc(Cl)c(Cl)c1
CCCCCNC(=O)C(=O)Nc1ccc(OC)c(C)c1 CCCC[*:1] COc1ccc(cc1C)NC(=O)C(=O)NC[*:1]
CCCCCNC(=O)C(=O)Nc1ccc(OC)c(C)c1 CCC[*:1] COc1ccc(cc1C)NC(=O)C(=O)NCC[*:1]
CCCCCNC(=O)C(=O)Nc1ccc(OC)c(C)c1 CCCCC[*:1] COc1ccc(cc1C)NC(=O)C(=O)N[*:1]
O=C(Nc1ccccn1)c1cc(-c2ccc(Cl)cc2)n[nH]1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccn1)c1cc(n[nH]1)[*:1]
O=C(Nc1ccccn1)c1cc(-c2ccc(Cl)cc2)n[nH]1 c1ccc(nc1)[*:1] O=C(N[*:1])c1cc(n[nH]1)-c1ccc(Cl)cc1
Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(c4nc5cccnc5n(C)c4=O)C3)CC2)c1 Cc1ccc(C)c(c1)[*:1] Cn1c(=O)c(nc2cccnc21)N1CCC[C@@H](C1)C(=O)N1CCN(CC1)[*:1]
C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1 C=C(Cl)CO[*:1] C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(cc1)[*:1]
C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1 C=C(Cl)[*:1] C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(cc1)OC[*:1]
C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1 C=C(Cl)C[*:1] C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(cc1)O[*:1]
O=C1C=C(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@H](c2ccccc2)C1 FC(F)(F)[*:1] O=C1C=C(C[C@@H](C1)c1ccccc1)N1CCN(CC1)c1ncc(cc1Cl)[*:1]
O=C1C=C(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C1C=C(C[C@H](C1)[*:1])N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
Cn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2cc(S(N)(=O)=O)ccc21 FC(F)O[*:1] Cn1c(nc2cc(ccc21)S(N)(=O)=O)SCC(=O)Nc1ccccc1[*:1]
Cn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2cc(S(N)(=O)=O)ccc21 FC(F)[*:1] Cn1c(nc2cc(ccc21)S(N)(=O)=O)SCC(=O)Nc1ccccc1O[*:1]
Cn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] Cn1c(nc2cc(ccc21)[*:1])SCC(=O)Nc1ccccc1OC(F)F
CC(C)COc1ccccc1CNC(=O)N[C@@H](C)C(=O)N(C)C CN(C)C(=O)[*:1] CC(C)COc1ccccc1CNC(=O)N[C@@H](C)[*:1]
CC(C)COc1ccccc1CNC(=O)N[C@@H](C)C(=O)N(C)C CC(C)CO[*:1] C[C@H](NC(=O)NCc1ccccc1[*:1])C(=O)N(C)C
CC(C)COc1ccccc1CNC(=O)N[C@@H](C)C(=O)N(C)C CC(C)[*:1] C[C@H](NC(=O)NCc1ccccc1OC[*:1])C(=O)N(C)C
CC(C)COc1ccccc1CNC(=O)N[C@@H](C)C(=O)N(C)C CC(C)C[*:1] C[C@H](NC(=O)NCc1ccccc1O[*:1])C(=O)N(C)C
CC(C)COc1ccccc1CNC(=O)N[C@@H](C)C(=O)N(C)C C[C@@H](C(=O)N(C)C)[*:1] CC(C)COc1ccccc1CNC(=O)N[*:1]
C=CC[NH+](CC(=O)[O-])Cc1nc(C(C)(C)C)cs1 O=C([O-])[*:1] C=CC[NH+](Cc1nc(cs1)C(C)(C)C)C[*:1]
C=CC[NH+](CC(=O)[O-])Cc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] C=CC[NH+](CC(=O)[O-])Cc1nc(cs1)[*:1]
C=CC[NH+](CC(=O)[O-])Cc1nc(C(C)(C)C)cs1 C=CC[*:1] CC(C)(C)c1csc(C[NH+](CC(=O)[O-])[*:1])n1
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O N#Cc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CCOc2cccc(Cl)c2)C1=O)[*:1]
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O Clc1cccc(c1)O[*:1] C[C@@]1(NC(=O)N(CC[*:1])C1=O)c1ccc(C#N)cc1
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O Clc1cccc(c1)[*:1] C[C@@]1(NC(=O)N(CCO[*:1])C1=O)c1ccc(C#N)cc1
COC(=O)[C@H](CO)Nc1nc(Br)cs1 COC(=O)[*:1] OC[C@H](Nc1nc(Br)cs1)[*:1]
COC(=O)C1(NC(=O)c2ccc3ncsc3c2)CCCCC1 COC(=O)[*:1] O=C(NC1(CCCCC1)[*:1])c1ccc2ncsc2c1
C=C(C)C[NH+](CC)CCC(=O)NC(=O)NC C=C(C)C[*:1] CC[NH+](CCC(=O)NC(=O)NC)[*:1]
C=C(C)C[NH+](CC)CCC(=O)NC(=O)NC C=C(C)[*:1] CC[NH+](CCC(=O)NC(=O)NC)C[*:1]
COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cccc(Cl)c3)nc2c1 C1CN(CCO1)[*:1] COc1ccc2sc(nc2c1)N(CC[*:1])C(=O)c1cccc(Cl)c1
COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cccc(Cl)c3)nc2c1 Clc1cccc(c1)[*:1] COc1ccc2sc(nc2c1)N(CCN1CCOCC1)C(=O)[*:1]
COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cccc(Cl)c3)nc2c1 C1CN(CCO1)C[*:1] COc1ccc2sc(nc2c1)N(C[*:1])C(=O)c1cccc(Cl)c1
COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3cccc(Cl)c3)nc2c1 C1CN(CCO1)CC[*:1] COc1ccc2sc(nc2c1)N(C(=O)c1cccc(Cl)c1)[*:1]
O[C@H](C[C@@H]1CCCO1)[C@@H]1CCc2cccnc21 C1CO[C@@H](C1)[*:1] O[C@H](C[*:1])[C@@H]1CCc2cccnc21
CCn1nc(C)cc1C(=O)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 CCn1nc(C)cc1[*:1] O=C(Nc1nnc(o1)-c1ccc2OCCOc2c1)[*:1]
CCN(CC(C)(C)O)c1[nH+]c(C)ccc1/C(N)=N/O CC(C)(O)[*:1] CCN(C[*:1])c1[nH+]c(C)ccc1/C(N)=N/O
CCN(CC(C)(C)O)c1[nH+]c(C)ccc1/C(N)=N/O CC(C)(O)C[*:1] CCN(c1[nH+]c(C)ccc1/C(N)=N/O)[*:1]
CCN(CC(C)(C)O)c1[nH+]c(C)ccc1/C(N)=N/O N/C(=N\O)[*:1] CCN(CC(C)(C)O)c1[nH+]c(C)ccc1[*:1]
C=CCc1c(C)nc(Nc2nc(C)c3cccc(OCC)c3n2)[nH]c1=O C=CC[*:1] CCOc1cccc2c(C)nc(nc12)Nc1nc(C)c(c(=O)[nH]1)[*:1]
C=CCc1c(C)nc(Nc2nc(C)c3cccc(OCC)c3n2)[nH]c1=O CCO[*:1] C=CCc1c(C)nc(Nc2nc(C)c3cccc(c3n2)[*:1])[nH]c1=O
Cc1ccc(C(F)(F)F)c(C(N)=S)c1 NC(=S)[*:1] Cc1ccc(c(c1)[*:1])C(F)(F)F
Cc1ccc(C(F)(F)F)c(C(N)=S)c1 FC(F)(F)[*:1] Cc1ccc(c(c1)C(N)=S)[*:1]
O=C(Cn1ccc(-c2cccc(-c3nccs3)c2)n1)NC[C@@H]1CCCO1 c1csc(n1)[*:1] O=C(Cn1ccc(n1)-c1cccc(c1)[*:1])NC[C@@H]1CCCO1
O=C(Cn1ccc(-c2cccc(-c3nccs3)c2)n1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] O=C(Cn1ccc(n1)-c1cccc(c1)-c1nccs1)N[*:1]
O=C(Cn1ccc(-c2cccc(-c3nccs3)c2)n1)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C(Cn1ccc(n1)-c1cccc(c1)-c1nccs1)NC[*:1]
Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c[nH]cn4)CC3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(C1CCN(CC1)S(=O)(=O)c1c[nH]cn1)N1CCN(CC1)[*:1]
COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O c1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)[C@H](C[*:1])N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O
COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O COc1ccc(Cl)cc1[*:1] O=C(N[*:1])[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O
COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O c1ccc(cc1)C[*:1] COc1ccc(Cl)cc1NC(=O)[C@H](N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)[*:1]
CC(C)n1nc(C[NH2+]CCCO)c(-c2ccccc2)n1 CC(C)[*:1] OCCC[NH2+]Cc1nn(nc1-c1ccccc1)[*:1]
CC(C)n1nc(C[NH2+]CCCO)c(-c2ccccc2)n1 OCCC[*:1] CC(C)n1nc(C[NH2+][*:1])c(n1)-c1ccccc1
CC(C)n1nc(C[NH2+]CCCO)c(-c2ccccc2)n1 OCC[*:1] CC(C)n1nc(C[NH2+]C[*:1])c(n1)-c1ccccc1
CC(C)n1nc(C[NH2+]CCCO)c(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)n1nc(C[NH2+]CCCO)c(n1)[*:1]
FC(F)(F)[C@H](NCc1cn2ccccc2[nH+]1)C1CCCC1 FC(F)(F)[*:1] c1ccn2cc(CN[C@H](C3CCCC3)[*:1])[nH+]c2c1
FC(F)(F)[C@H](NCc1cn2ccccc2[nH+]1)C1CCCC1 C1CCC(C1)[*:1] FC(F)(F)[C@H](NCc1cn2ccccc2[nH+]1)[*:1]
CCOCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F CCOC[*:1] O=C(NC[*:1])C(=O)Nc1cc(ccc1F)C(F)(F)F
CCOCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] CCOCCNC(=O)C(=O)Nc1cc(ccc1F)[*:1]
CCOCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F CCO[*:1] O=C(NCC[*:1])C(=O)Nc1cc(ccc1F)C(F)(F)F
CCOCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F CCOCC[*:1] O=C(Nc1cc(ccc1F)C(F)(F)F)C(=O)N[*:1]
CCc1onc(C)c1NC(=O)c1cc(Cl)nc(N2CCCC2)c1 C1CCN(C1)[*:1] CCc1onc(C)c1NC(=O)c1cc(Cl)nc(c1)[*:1]
CC(C)OCCCNC(=O)N[C@H]1CCCc2ccc(F)cc21 CC(C)[*:1] O=C(NCCCO[*:1])N[C@H]1CCCc2ccc(F)cc21
CC(C)OCCCNC(=O)N[C@H]1CCCc2ccc(F)cc21 CC(C)OCC[*:1] O=C(NC[*:1])N[C@H]1CCCc2ccc(F)cc21
CC(C)OCCCNC(=O)N[C@H]1CCCc2ccc(F)cc21 CC(C)O[*:1] O=C(NCCC[*:1])N[C@H]1CCCc2ccc(F)cc21
CC(C)OCCCNC(=O)N[C@H]1CCCc2ccc(F)cc21 CC(C)OC[*:1] O=C(NCC[*:1])N[C@H]1CCCc2ccc(F)cc21
CC(C)OCCCNC(=O)N[C@H]1CCCc2ccc(F)cc21 CC(C)OCCC[*:1] O=C(N[C@H]1CCCc2ccc(F)cc21)N[*:1]
C[NH2+][C@@H](COC(C)C)c1ccc(Br)s1 CC(C)O[*:1] C[NH2+][C@@H](C[*:1])c1ccc(Br)s1
C[NH2+][C@@H](COC(C)C)c1ccc(Br)s1 CC(C)[*:1] C[NH2+][C@@H](CO[*:1])c1ccc(Br)s1
C[C@@H](COc1ccccc1)OC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 c1ccc(cc1)O[*:1] C[C@@H](C[*:1])OC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1
C[C@@H](COc1ccccc1)OC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 c1ccc(cc1)[*:1] C[C@@H](CO[*:1])OC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1
C[C@@H](COc1ccccc1)OC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 c1ccc(cc1)OC[*:1] C[C@@H](OC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)[*:1]
C[C@@H](COc1ccccc1)OC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 Cn1cc(cn1)[*:1] C[C@@H](COc1ccccc1)OC(=O)[C@H]1CCC(=O)N(C)[C@H]1[*:1]
Nc1c(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cccc1[N+](=O)[O-] O=C(c1ccccc1)[*:1] Nc1c(cccc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1C[*:1]
Nc1c(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Nc1c(cccc1[*:1])C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1
Nc1c(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Nc1c(cccc1[N+](=O)[O-])C(=O)N1CCC[C@@H]1CC(=O)[*:1]
Cc1cccc(-c2nnc3sc(CN4C(=O)c5ccccc5C4=O)nn23)c1 Cc1cccc(c1)[*:1] O=C1c2ccccc2C(=O)N1Cc1nn2c(nnc2s1)[*:1]
Cc1ccc2c(c1)=C[C@@H](CN(CC(C)C)C(=O)c1ccc(Cl)cc1)C(=O)[NH+]=2 Clc1ccc(cc1)[*:1] Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(CC(C)C)C(=O)[*:1]
Cc1ccc2c(c1)=C[C@@H](CN(CC(C)C)C(=O)c1ccc(Cl)cc1)C(=O)[NH+]=2 CC(C)C[*:1] Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C(=O)c1ccc(Cl)cc1)[*:1]
Cc1ccc2c(c1)=C[C@@H](CN(CC(C)C)C(=O)c1ccc(Cl)cc1)C(=O)[NH+]=2 CC(C)[*:1] Cc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)CN(C[*:1])C(=O)c1ccc(Cl)cc1
Cc1cnc(C[S@](=O)[C@H](C)c2ccc(F)cc2)o1 Cc1cnc(o1)[*:1] C[C@H](c1ccc(F)cc1)[S@@](=O)C[*:1]
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 FC(F)(F)[*:1] N#C/C(=C\c1ccc(cc1)O[*:1])C(=O)Nc1cc(Cl)ccc1N1CCOCC1
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 FC(F)(F)O[*:1] N#C/C(=C\c1ccc(cc1)[*:1])C(=O)Nc1cc(Cl)ccc1N1CCOCC1
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 C1CN(CCO1)[*:1] N#C/C(=C\c1ccc(cc1)OC(F)(F)F)C(=O)Nc1cc(Cl)ccc1[*:1]
Nc1cc(N)nc(SCC(=O)Nc2ccccc2Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Nc1cc(N)nc(n1)SCC(=O)Nc1ccccc1[*:1]
Nc1cc(N)nc(SCC(=O)Nc2ccccc2Cc2ccccc2)n1 Nc1cc(N)nc(n1)[*:1] O=C(CS[*:1])Nc1ccccc1Cc1ccccc1
Nc1cc(N)nc(SCC(=O)Nc2ccccc2Cc2ccccc2)n1 c1ccc(cc1)[*:1] Nc1cc(N)nc(n1)SCC(=O)Nc1ccccc1C[*:1]
COc1ccccc1CN(C(=O)Nc1cc(C#N)ccc1Cl)C1CC1 COc1ccccc1[*:1] N#Cc1ccc(Cl)c(c1)NC(=O)N(C[*:1])C1CC1
COc1ccccc1CN(C(=O)Nc1cc(C#N)ccc1Cl)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)Nc1cc(C#N)ccc1Cl)[*:1]
CNC(=O)CNC(=O)c1ccc(C(N)=S)cc1 CNC(=O)[*:1] NC(=S)c1ccc(cc1)C(=O)NC[*:1]
CNC(=O)CNC(=O)c1ccc(C(N)=S)cc1 NC(=S)[*:1] CNC(=O)CNC(=O)c1ccc(cc1)[*:1]
CNC(=O)CNC(=O)c1ccc(C(N)=S)cc1 CNC(=O)C[*:1] NC(=S)c1ccc(cc1)C(=O)N[*:1]
Cc1ccc(NC(=O)CNc2cccc(OCC(=O)N(C)C)c2)c(Cl)c1 Cc1ccc(c(Cl)c1)[*:1] CN(C)C(=O)COc1cccc(c1)NCC(=O)N[*:1]
Cc1ccc(NC(=O)CNc2cccc(OCC(=O)N(C)C)c2)c(Cl)c1 CN(C)C(=O)C[*:1] Cc1ccc(NC(=O)CNc2cccc(c2)O[*:1])c(Cl)c1
Cc1ccc(NC(=O)CNc2cccc(OCC(=O)N(C)C)c2)c(Cl)c1 CN(C)C(=O)[*:1] Cc1ccc(NC(=O)CNc2cccc(c2)OC[*:1])c(Cl)c1
Cc1ccc(NC(=O)CNc2cccc(OCC(=O)N(C)C)c2)c(Cl)c1 CN(C)C(=O)CO[*:1] Cc1ccc(NC(=O)CNc2cccc(c2)[*:1])c(Cl)c1
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1[*:1] C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 C1CC1C[*:1] C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 Clc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)[C@@H]1CC(=O)N(CC2CC2)C1)[*:1]
O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C1OC(=N/C1=C\c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[*:1]
O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C1OC(=N/C1=C\c1ccc(cc1)[*:1])c1ccc(cc1)[N+](=O)[O-]
CN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 CS(=O)(=O)[*:1] CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1])c1ccc(F)cc1
CN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])S(C)(=O)=O)[*:1]
CN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 O=[N+]([O-])[*:1] CN(C(=O)c1ccc(c(c1)[*:1])S(C)(=O)=O)c1ccc(F)cc1
C[C@@H]1OCC[C@@H]1[C@H](O)c1ccc(-c2ccccc2)cc1 c1ccc(cc1)[*:1] C[C@@H]1OCC[C@@H]1[C@H](O)c1ccc(cc1)[*:1]
O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCN1C(=O)c1cccs1 c1ccc(cc1)C[*:1] O=C(NC[C@@H]1OCCN1C(=O)c1cccs1)C(=O)N[*:1]
O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCN1C(=O)c1cccs1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1OCCN1C(=O)c1cccs1)C(=O)NC[*:1]
O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCN1C(=O)c1cccs1 c1csc(c1)[*:1] O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCN1C(=O)[*:1]
Cc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)nc12 Fc1ccc(c(F)c1)[*:1] Cc1cccc2sc(nc12)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)nc12 Cc1cccc2sc(nc12)[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1F
CC[C@@H](NC(=O)c1cnc2sc(C)cn2c1=O)C(=O)OC COC(=O)[*:1] CC[C@@H](NC(=O)c1cnc2sc(C)cn2c1=O)[*:1]
CC[C@@H](NC(=O)c1cnc2sc(C)cn2c1=O)C(=O)OC CC[C@@H](C(=O)OC)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)N[*:1]
Cc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1ccc2nc(sc2c1)N(Cc1ccco1)C(=O)[*:1]
Cc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 O=[N+]([O-])[*:1] Cc1ccc2nc(sc2c1)N(Cc1ccco1)C(=O)c1ccc(cc1)[*:1]
Cc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 c1coc(c1)C[*:1] Cc1ccc2nc(sc2c1)N(C(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 c1coc(c1)[*:1] Cc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1ccc(cc1)[N+](=O)[O-]
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 C[C@H]1C[C@H]1[*:1] O=C(c1cnc(s1)[C@@H]1CCCO1)N1CCN(CC1)C(=O)[*:1]
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 C1CO[C@@H](C1)[*:1] C[C@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)c1cnc(s1)[*:1]
CCCC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](C)C#N)c1C CCCC(=O)N[*:1] Cc1c(cccc1[*:1])NC(=O)C(=O)NC[C@H](C)C#N
CCCC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](C)C#N)c1C CCC[*:1] Cc1c(cccc1NC(=O)[*:1])NC(=O)C(=O)NC[C@H](C)C#N
CC(C)Oc1ccccc1NC(=O)N1CCN(C(=O)c2cccnc2)CC1 CC(C)O[*:1] O=C(Nc1ccccc1[*:1])N1CCN(CC1)C(=O)c1cccnc1
CC(C)Oc1ccccc1NC(=O)N1CCN(C(=O)c2cccnc2)CC1 c1cncc(c1)[*:1] CC(C)Oc1ccccc1NC(=O)N1CCN(CC1)C(=O)[*:1]
CC(C)Oc1ccccc1NC(=O)N1CCN(C(=O)c2cccnc2)CC1 CC(C)[*:1] O=C(Nc1ccccc1O[*:1])N1CCN(CC1)C(=O)c1cccnc1
O=C(c1ccncc1)N(Cc1ccco1)Cc1cccs1 c1coc(c1)[*:1] O=C(c1ccncc1)N(Cc1cccs1)C[*:1]
O=C(c1ccncc1)N(Cc1ccco1)Cc1cccs1 c1cc(ccn1)[*:1] O=C(N(Cc1ccco1)Cc1cccs1)[*:1]
O=C(c1ccncc1)N(Cc1ccco1)Cc1cccs1 c1csc(c1)[*:1] O=C(c1ccncc1)N(Cc1ccco1)C[*:1]
O=C(c1ccncc1)N(Cc1ccco1)Cc1cccs1 c1csc(c1)C[*:1] O=C(c1ccncc1)N(Cc1ccco1)[*:1]
O=C(c1ccncc1)N(Cc1ccco1)Cc1cccs1 c1coc(c1)C[*:1] O=C(c1ccncc1)N(Cc1cccs1)[*:1]
Cc1cc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2OC2CCCC2)no1 C1CCC(C1)O[*:1] Cc1cc(no1)NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1[*:1]
Cc1cc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2OC2CCCC2)no1 C1CCC(C1)[*:1] Cc1cc(no1)NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O[*:1]
Cc1cc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2OC2CCCC2)no1 Cc1cc(no1)[*:1] C[C@@H](CC(=O)N[*:1])[NH2+][C@H]1CCCC[C@@H]1OC1CCCC1
Cn1nc2c(cc1=O)C[NH+](Cc1nnc(C3CC3)o1)CC2 C1CC1[*:1] Cn1nc2CC[NH+](Cc3nnc(o3)[*:1])Cc2cc1=O
Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)nn2)n1 Fc1ccc(c(F)c1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)N1CCN(CC1)C(=O)[*:1]
Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=C(c1ccc(F)cc1F)N1CCN(CC1)c1ccc(nn1)[*:1]
Cc1ccc(Cn2ccs/c2=N\C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 Cc1ccc(cc1)C[*:1] O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)/N=c1\sccn1[*:1]
Cc1ccc(Cn2ccs/c2=N\C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 Cc1ccc(cc1)[*:1] O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)/N=c1\sccn1C[*:1]
COc1sc(C)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1sc(C)cc1/C=N/Nc1ccc(cc1[N+](=O)[O-])[*:1]
COc1sc(C)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] O=[N+]([O-])[*:1] COc1sc(C)cc1/C=N/Nc1ccc(cc1[*:1])[N+](=O)[O-]
Cc1nnc(CN(Cc2cc(-c3ccccc3)[nH]n2)C(C)(C)C)o1 CC(C)(C)[*:1] Cc1nnc(CN(Cc2cc([nH]n2)-c2ccccc2)[*:1])o1
Cc1nnc(CN(Cc2cc(-c3ccccc3)[nH]n2)C(C)(C)C)o1 Cc1nnc(o1)[*:1] CC(C)(C)N(Cc1cc([nH]n1)-c1ccccc1)C[*:1]
Cc1nnc(CN(Cc2cc(-c3ccccc3)[nH]n2)C(C)(C)C)o1 c1ccc(cc1)[*:1] Cc1nnc(CN(Cc2cc([nH]n2)[*:1])C(C)(C)C)o1
Cc1nnc(CN(Cc2cc(-c3ccccc3)[nH]n2)C(C)(C)C)o1 Cc1nnc(C[*:1])o1 CC(C)(C)N(Cc1cc([nH]n1)-c1ccccc1)[*:1]
CC(C)(C)OC(=O)Cn1c(=O)oc2ccccc21 CC(C)(C)[*:1] O=C(Cn1c(=O)oc2ccccc21)O[*:1]
O=C(Nc1cc(F)ccc1Cl)[C@@H]1CCCN1C(=O)c1cccs1 c1csc(c1)[*:1] O=C(Nc1cc(F)ccc1Cl)[C@@H]1CCCN1C(=O)[*:1]
O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccc(F)cc2)[nH]n1 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)C1CC1)c1cc([nH]n1)[*:1]
O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccc(F)cc2)[nH]n1 C1CC1[*:1] O=C(Nc1nnc(s1)[*:1])c1cc([nH]n1)-c1ccc(F)cc1
O=C(Cn1c(Cc2ccccc2Cl)nc2ccccc21)Nc1ccc2c(c1)OCO2 Clc1ccccc1[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)Nc1ccc2OCOc2c1
O=C(Cn1c(Cc2ccccc2Cl)nc2ccccc21)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(Cn1c(Cc2ccccc2Cl)nc2ccccc21)N[*:1]
O=C(Cn1c(Cc2ccccc2Cl)nc2ccccc21)Nc1ccc2c(c1)OCO2 Clc1ccccc1C[*:1] O=C(Cn1c(nc2ccccc21)[*:1])Nc1ccc2OCOc2c1
Cc1coc(-c2cccc(NC(=O)Nc3c(C)n[nH]c3C)c2)n1 Cc1coc(n1)[*:1] Cc1n[nH]c(C)c1NC(=O)Nc1cccc(c1)[*:1]
Cc1coc(-c2cccc(NC(=O)Nc3c(C)n[nH]c3C)c2)n1 Cc1n[nH]c(C)c1[*:1] Cc1coc(n1)-c1cccc(c1)NC(=O)N[*:1]
CC(C)[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)cc1 CN(C)C(=O)[*:1] CC(C)[C@H](C(=O)Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
CC(C)[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)[C@H](C(=O)Nc1ccc(cc1)C(=O)N(C)C)[*:1]
CC(C)[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)cc1 CC(C)[*:1] CN(C)C(=O)c1ccc(cc1)NC(=O)[C@H](c1ccc(Cl)cc1)[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CSc1nnc(NC(=O)C2CC2)s1)N[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)c1 O=C(N[*:1])C1CC1 Cc1ccc(C)c(c1)NC(=O)CSc1nnc(s1)[*:1]
Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)c1 C1CC1[*:1] Cc1ccc(C)c(c1)NC(=O)CSc1nnc(NC(=O)[*:1])s1
CCn1c(CNc2[nH+]c3ccccc3n2C(C)C)nc2ccccc21 CC(C)[*:1] CCn1c(CNc2[nH+]c3ccccc3n2[*:1])nc2ccccc21
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(I)c2)NC(=S)N1 c1ccc(cc1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)N[*:1])c1cccc(I)c1
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(I)c2)NC(=S)N1 Ic1cccc(c1)[*:1] CC1NC(=S)N[C@H](C=1C(=O)Nc1ccccc1)[*:1]
Cc1nc(N/N=C\c2ccc(C(C)(C)C)cc2)sc1C CC(C)(C)[*:1] Cc1nc(N/N=C\c2ccc(cc2)[*:1])sc1C
CCc1ccccc1NC(=O)CSc1ccc(-n2nccc2C)nn1 CCc1ccccc1[*:1] Cc1ccnn1-c1ccc(nn1)SCC(=O)N[*:1]
CCc1ccccc1NC(=O)CSc1ccc(-n2nccc2C)nn1 Cc1ccnn1[*:1] CCc1ccccc1NC(=O)CSc1ccc(nn1)[*:1]
COc1ccc2nc(NC(=O)CSc3nnnn3C)sc2c1 Cn1nnnc1[*:1] COc1ccc2nc(NC(=O)CS[*:1])sc2c1
COc1ccc2nc(NC(=O)CSc3nnnn3C)sc2c1 Cn1nnnc1S[*:1] COc1ccc2nc(NC(=O)C[*:1])sc2c1
CC(C)c1nc(CC(=O)NOCC(N)=O)cs1 NC(=O)C[*:1] CC(C)c1nc(cs1)CC(=O)NO[*:1]
CC(C)c1nc(CC(=O)NOCC(N)=O)cs1 CC(C)[*:1] NC(=O)CONC(=O)Cc1csc(n1)[*:1]
CC(C)c1nc(CC(=O)NOCC(N)=O)cs1 NC(=O)[*:1] CC(C)c1nc(cs1)CC(=O)NOC[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 N#CC[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NCc1cccc(c1)O[*:1]
C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 N#CCO[*:1] C[C@H]1C[C@H]1C(=O)N1CCN(CC1)C(=O)NCc1cccc(c1)[*:1]
Cc1ccc(OCc2nc(CC(=O)NC[C@@H]3COc4ccccc4O3)cs2)cc1 Cc1ccc(cc1)[*:1] O=C(Cc1csc(CO[*:1])n1)NC[C@@H]1COc2ccccc2O1
Cc1ccc(OCc2nc(CC(=O)NC[C@@H]3COc4ccccc4O3)cs2)cc1 Cc1ccc(cc1)O[*:1] O=C(Cc1csc(C[*:1])n1)NC[C@@H]1COc2ccccc2O1
Cc1ccc(OCc2nc(CC(=O)NC[C@@H]3COc4ccccc4O3)cs2)cc1 Cc1ccc(cc1)OC[*:1] O=C(Cc1csc(n1)[*:1])NC[C@@H]1COc2ccccc2O1
Cc1cc(C[C@@H](C)N[C@H](C)c2nccs2)n[nH]1 c1csc(n1)[*:1] Cc1cc(C[C@@H](C)N[C@H](C)[*:1])n[nH]1
Cc1cc(C[C@@H](C)N[C@@H](c2ccccc2)C(C)C)n[nH]1 Cc1cc(n[nH]1)[*:1] CC(C)[C@@H](N[C@H](C)C[*:1])c1ccccc1
Cc1cc(C[C@@H](C)N[C@@H](c2ccccc2)C(C)C)n[nH]1 CC(C)[*:1] Cc1cc(C[C@@H](C)N[C@@H](c2ccccc2)[*:1])n[nH]1
Cc1cc(C[C@@H](C)N[C@@H](c2ccccc2)C(C)C)n[nH]1 c1ccc(cc1)[*:1] Cc1cc(C[C@@H](C)N[C@@H](C(C)C)[*:1])n[nH]1
O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21)Nc1cc(Cl)cc(Cl)c1 c1csc(c1)CC[*:1] O=C(Cn1c(=O)n(c(=O)c2sccc21)[*:1])Nc1cc(Cl)cc(Cl)c1
O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21)Nc1cc(Cl)cc(Cl)c1 c1csc(c1)[*:1] O=C(Cn1c(=O)n(CC[*:1])c(=O)c2sccc21)Nc1cc(Cl)cc(Cl)c1
O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21)Nc1cc(Cl)cc(Cl)c1 c1csc(c1)C[*:1] O=C(Cn1c(=O)n(C[*:1])c(=O)c2sccc21)Nc1cc(Cl)cc(Cl)c1
O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21)N[*:1]
CCOCCn1c(=O)[nH]c2cc(C(=O)N3CCC[NH+](C)CC3)ccc21 CCOCC[*:1] C[NH+]1CCCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=O)n2[*:1]
CCOCCn1c(=O)[nH]c2cc(C(=O)N3CCC[NH+](C)CC3)ccc21 CCOC[*:1] C[NH+]1CCCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C[*:1]
CCOCCn1c(=O)[nH]c2cc(C(=O)N3CCC[NH+](C)CC3)ccc21 CCO[*:1] C[NH+]1CCCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=O)n2CC[*:1]
CO[C@@H](C)C(=O)Nc1cccc(NCc2cn(C)nc2-c2ccccc2)c1 c1ccc(cc1)[*:1] CO[C@@H](C)C(=O)Nc1cccc(c1)NCc1cn(C)nc1[*:1]
CO[C@@H](C)C(=O)Nc1cccc(NCc2cn(C)nc2-c2ccccc2)c1 CO[C@@H](C)C(=O)N[*:1] Cn1cc(CNc2cccc(c2)[*:1])c(n1)-c1ccccc1
Cc1ccccc1CCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 Cc1ccccc1C[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)Nc1ccccc1)NC[*:1]
Cc1ccccc1CCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 Cc1ccccc1CC[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)Nc1ccccc1)N[*:1]
Cc1ccccc1CCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 Cc1ccccc1[*:1] O=C(C[NH+]1CCC(CC1)NC(=O)Nc1ccccc1)NCC[*:1]
Cc1ccccc1CCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1CCNC(=O)C[NH+]1CCC(CC1)NC(=O)N[*:1]
COc1cc(OC)c([C@@H]2CC[NH2+]C[C@@H]2C(C)C)cc1OC CC(C)[*:1] COc1cc(OC)c(cc1OC)[C@@H]1CC[NH2+]C[C@H]1[*:1]
COC(=O)[C@H](C)Nc1cc(C)ccc1[N+](=O)[O-] COC(=O)[*:1] Cc1ccc(c(c1)N[C@@H](C)[*:1])[N+](=O)[O-]
COC(=O)[C@H](C)Nc1cc(C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] COC(=O)[C@H](C)Nc1cc(C)ccc1[*:1]
CCOc1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cn1 CCO[*:1] C[C@@]1(CCS(=O)(=O)C1)NC(=O)c1ccc(nc1)[*:1]
C[C@H]1CC(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)C[C@H](C)O1 CC(C)(C)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1cc(nn1C(C)(C)C)[*:1]
C[C@H]1CC(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)C[C@H](C)O1 CC(C)(C)[*:1] C[C@H]1CC(C[C@H](C)O1)C(=O)Nc1cc(nn1[*:1])C(C)(C)C
O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)[*:1]
Cc1cccc(C)c1NCC(=O)N(C)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1cccc(C)c1NCC(=O)N(C)C[*:1]
O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3O)n[nH]2)c1 O=[N+]([O-])[*:1] Oc1ccccc1-c1n[nH]c(n1)-c1cccc(c1)[*:1]
O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3O)n[nH]2)c1 Oc1ccccc1[*:1] O=[N+]([O-])c1cccc(c1)-c1nc(n[nH]1)[*:1]
C[C@H]1OCC[C@@H]1[NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@@H]1[NH2+]C[C@H](C(=O)N1CCOCC1)[*:1]
C[C@H](CNc1ncc(C(N)=O)cc1Cl)C[C@@H](C)O NC(=O)[*:1] C[C@H](CNc1ncc(cc1Cl)[*:1])C[C@@H](C)O
C[C@H](CNc1ncc(C(N)=O)cc1Cl)C[C@@H](C)O C[C@@H](O)[*:1] C[C@H](CNc1ncc(cc1Cl)C(N)=O)C[*:1]
C[C@H](CNc1ncc(C(N)=O)cc1Cl)C[C@@H](C)O C[C@@H](O)C[*:1] C[C@H](CNc1ncc(cc1Cl)C(N)=O)[*:1]
COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2O)c1 O=[N+]([O-])[*:1] COc1ccc(c(c1)C(=O)Nc1cccc(Cl)c1O)[*:1]
CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2ccc3c(c2)CCC3)c1 CS(=O)(=O)[*:1] O=C(CSc1ccc2CCCc2c1)Nc1cc(ccc1Cl)[*:1]
COc1ccccc1C[NH2+]Cc1cc(C(N)=O)cs1 NC(=O)[*:1] COc1ccccc1C[NH2+]Cc1cc(cs1)[*:1]
CN(CCc1cccs1)C[C@]1(C[NH3+])CCOC1 c1csc(c1)[*:1] CN(CC[*:1])C[C@]1(C[NH3+])CCOC1
C[C@H]([NH2+]Cc1cccs1)c1nnc2ccccn12 c1csc(c1)C[*:1] C[C@H]([NH2+][*:1])c1nnc2ccccn12
C[C@H]([NH2+]Cc1cccs1)c1nnc2ccccn12 c1csc(c1)[*:1] C[C@H]([NH2+]C[*:1])c1nnc2ccccn12
C[C@H](OCC(F)(F)F)C(=O)N1CCC(c2ccc(F)cc2)CC1 FC(F)(F)CO[*:1] C[C@H](C(=O)N1CCC(CC1)c1ccc(F)cc1)[*:1]
C[C@H](OCC(F)(F)F)C(=O)N1CCC(c2ccc(F)cc2)CC1 FC(F)(F)C[*:1] C[C@H](O[*:1])C(=O)N1CCC(CC1)c1ccc(F)cc1
C[C@H](OCC(F)(F)F)C(=O)N1CCC(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@H](OCC(F)(F)F)C(=O)N1CCC(CC1)[*:1]
C[C@H](OCC(F)(F)F)C(=O)N1CCC(c2ccc(F)cc2)CC1 FC(F)(F)[*:1] C[C@H](OC[*:1])C(=O)N1CCC(CC1)c1ccc(F)cc1
Cc1sc(NC(=O)c2cc3ccccc3oc2=O)nc1-c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1cc2ccccc2oc1=O
Cc1ccc(OCCn2cnc3c(oc4ccccc43)c2=O)cc1 Cc1ccc(cc1)O[*:1] O=c1c2oc3ccccc3c2ncn1CC[*:1]
Cc1ccc(OCCn2cnc3c(oc4ccccc43)c2=O)cc1 Cc1ccc(cc1)[*:1] O=c1c2oc3ccccc3c2ncn1CCO[*:1]
Cc1nc(-c2ccc(CC(=O)O[C@@H](C)c3ccccn3)cc2)cs1 Cc1nc(cs1)[*:1] C[C@H](OC(=O)Cc1ccc(cc1)[*:1])c1ccccn1
Cc1nc(-c2ccc(CC(=O)O[C@@H](C)c3ccccn3)cc2)cs1 c1ccc(nc1)[*:1] Cc1nc(cs1)-c1ccc(cc1)CC(=O)O[C@@H](C)[*:1]
O=C(Cc1ccncc1)NNC(=O)NCc1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] O=C(Cc1ccncc1)NNC(=O)NCc1nc(cs1)[*:1]
O=C(Cc1ccncc1)NNC(=O)NCc1nc(C(F)(F)F)cs1 c1cc(ccn1)[*:1] O=C(C[*:1])NNC(=O)NCc1nc(cs1)C(F)(F)F
O=C(Cc1ccncc1)NNC(=O)NCc1nc(C(F)(F)F)cs1 c1cc(ccn1)C[*:1] O=C(NCc1nc(cs1)C(F)(F)F)NNC(=O)[*:1]
C[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1cccs1 O=C(N[*:1])c1ccco1 C[C@H](NC(=O)Cc1csc(n1)[*:1])c1cccs1
C[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1cccs1 c1coc(c1)[*:1] C[C@H](NC(=O)Cc1csc(n1)NC(=O)[*:1])c1cccs1
C[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1cccs1 C[C@H](c1cccs1)[*:1] O=C(Cc1csc(n1)NC(=O)c1ccco1)N[*:1]
C[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1cccs1 c1csc(c1)[*:1] C[C@H](NC(=O)Cc1csc(n1)NC(=O)c1ccco1)[*:1]
CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CCN(C)C(=O)c1ccc(cc1Cl)[*:1]
C[C@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)c1c[nH]c2ccccc12 c1ncn(n1)[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])C(=O)c1c[nH]c2ccccc12
C[C@H](OC(=O)c1ccc(-n2cncn2)cc1)C(=O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] C[C@H](OC(=O)c1ccc(cc1)-n1cncn1)C(=O)[*:1]
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nc3c(s2)CCCC3)s1 Cc1ccc(s1)[*:1] C[C@@H]([NH2+][C@H](C)[*:1])c1nc2CCCCc2s1
C=CC[C@@H]1Cc2c(N)cccc2[C@@H](CC=C)N1 C=CC[*:1] C=CC[C@@H]1Cc2c(N)cccc2[C@@H](N1)[*:1]
C=CC[C@@H]1Cc2c(N)cccc2[C@@H](CC=C)N1 C=CC[*:1] C=CC[C@H]1N[C@@H](Cc2c(N)cccc21)[*:1]
COc1cc(NC(=O)NCc2cn3c(C)cccc3[nH+]2)ccc1NC(C)=O CC(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)NCc1cn2c(C)cccc2[nH+]1
O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)[C@@H]1CCCN(C1)C(=O)N[*:1]
O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 Fc1ccc(c(F)c1)[*:1] O=C(Nc1ncc(C[*:1])s1)[C@@H]1CCCN(C1)C(=O)Nc1ccccc1
O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 Fc1ccc(C[*:1])c(F)c1 O=C(Nc1ncc(s1)[*:1])[C@@H]1CCCN(C1)C(=O)Nc1ccccc1
CCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cc1 CCO[*:1] COc1cc(/C=C/C(=O)c2ccc(cc2)[*:1])cc(Br)c1O
CCn1c(=N)n(C[C@H](O)c2ccco2)c2ccccc21 c1coc(c1)[*:1] CCn1c(=N)n(C[C@H](O)[*:1])c2ccccc21
O=C(NC(c1ccccc1)c1ccccc1)N1CCC(N2CCCC2=O)CC1 O=C1CCCN1[*:1] O=C(NC(c1ccccc1)c1ccccc1)N1CCC(CC1)[*:1]
O=C(NC(c1ccccc1)c1ccccc1)N1CCC(N2CCCC2=O)CC1 c1ccc(cc1)[*:1] O=C(NC(c1ccccc1)[*:1])N1CCC(CC1)N1CCCC1=O
CCC[NH2+]C/C=C/c1cccnc1 CCC[*:1] C(=C/c1cccnc1)\C[NH2+][*:1]
Cc1cccc(NC(=O)[C@H](C)[S@](=O)Cc2ccc(Cl)cc2)c1C Clc1ccc(cc1)[*:1] Cc1cccc(NC(=O)[C@H](C)[S@](=O)C[*:1])c1C
CC[C@H](CCO)CNC(=O)[C@H]1CCCC[NH2+]1 OCC[*:1] CC[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)NCc1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] Cc1nn(C)cc1[C@@H](C)NC(=O)NC[*:1]
Cc1nn(C)cc1[C@@H](C)NC(=O)NCc1ccc(Cl)nc1 Cc1nn(C)cc1[*:1] C[C@@H](NC(=O)NCc1ccc(Cl)nc1)[*:1]
CC[C@H](OC1CCCC1)C(=O)Nc1cc(C)nn1-c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](OC1CCCC1)C(=O)Nc1cc(C)nn1[*:1]
CC[C@H](OC1CCCC1)C(=O)Nc1cc(C)nn1-c1ccncc1 C1CCC(C1)[*:1] CC[C@H](O[*:1])C(=O)Nc1cc(C)nn1-c1ccncc1
CC[C@H](OC1CCCC1)C(=O)Nc1cc(C)nn1-c1ccncc1 C1CCC(C1)O[*:1] CC[C@H](C(=O)Nc1cc(C)nn1-c1ccncc1)[*:1]
O=C(COc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)NCc1ccco1 O=C(CO[*:1])NCc1ccco1 O=C(C1CC1)N1CCc2ccc(cc2[C@H]1c1ccc(F)cc1)[*:1]
O=C(COc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)NCc1ccco1 O=C(C[*:1])NCc1ccco1 O=C(C1CC1)N1CCc2ccc(cc2[C@H]1c1ccc(F)cc1)O[*:1]
O=C(COc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)NCc1ccco1 C1CC1[*:1] O=C(COc1ccc2CCN(C(=O)[*:1])[C@H](c3ccc(F)cc3)c2c1)NCc1ccco1
O=C(COc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)NCc1ccco1 c1coc(c1)C[*:1] O=C(COc1ccc2CCN(C(=O)C3CC3)[C@H](c3ccc(F)cc3)c2c1)N[*:1]
O=C(COc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)NCc1ccco1 O=C(NCc1ccco1)[*:1] O=C(C1CC1)N1CCc2ccc(cc2[C@H]1c1ccc(F)cc1)OC[*:1]
O=C(COc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)NCc1ccco1 Fc1ccc(cc1)[*:1] O=C(COc1ccc2CCN(C(=O)C3CC3)[C@H](c2c1)[*:1])NCc1ccco1
O=C(COc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)NCc1ccco1 c1coc(c1)[*:1] O=C(COc1ccc2CCN(C(=O)C3CC3)[C@H](c3ccc(F)cc3)c2c1)NC[*:1]
N#C[C@H](c1ccccc1)[C@H]1CCCN1CCS(=O)(=O)Oc1ccccc1 c1ccc(cc1)[*:1] N#C[C@H]([C@H]1CCCN1CCS(=O)(=O)Oc1ccccc1)[*:1]
N#C[C@H](c1ccccc1)[C@H]1CCCN1CCS(=O)(=O)Oc1ccccc1 c1ccc(cc1)[*:1] N#C[C@H](c1ccccc1)[C@H]1CCCN1CCS(=O)(=O)O[*:1]
Cc1ccccc1O[C@@H](C)C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 CC(C)(C)C[*:1] Cc1ccccc1O[C@@H](C)C[NH2+]C1CCN(CC1)C(=O)[*:1]
Cc1ccccc1O[C@@H](C)C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 CC(C)(C)[*:1] Cc1ccccc1O[C@@H](C)C[NH2+]C1CCN(CC1)C(=O)C[*:1]
Cc1ccccc1O[C@@H](C)C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 Cc1ccccc1[*:1] C[C@@H](C[NH2+]C1CCN(CC1)C(=O)CC(C)(C)C)O[*:1]
Cc1ccccc1O[C@@H](C)C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 Cc1ccccc1O[*:1] C[C@@H](C[NH2+]C1CCN(CC1)C(=O)CC(C)(C)C)[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1OCc1cscn1 c1nc(cs1)C[*:1] CN(Cc1ccc2OCOc2c1)C(=O)c1ccccc1O[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1OCc1cscn1 c1cc2OCOc2cc1[*:1] CN(C[*:1])C(=O)c1ccccc1OCc1cscn1
CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1OCc1cscn1 c1nc(cs1)CO[*:1] CN(Cc1ccc2OCOc2c1)C(=O)c1ccccc1[*:1]
CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1OCc1cscn1 c1nc(cs1)[*:1] CN(Cc1ccc2OCOc2c1)C(=O)c1ccccc1OC[*:1]
Cc1noc(CSc2ccccc2C(=O)OC[C@@H]2CC=CC[C@H]2C)n1 Cc1noc(C[*:1])n1 C[C@@H]1CC=CC[C@H]1COC(=O)c1ccccc1S[*:1]
Cc1noc(CSc2ccccc2C(=O)OC[C@@H]2CC=CC[C@H]2C)n1 Cc1noc(n1)[*:1] C[C@@H]1CC=CC[C@H]1COC(=O)c1ccccc1SC[*:1]
Cc1noc(CSc2ccccc2C(=O)OC[C@@H]2CC=CC[C@H]2C)n1 Cc1noc(CS[*:1])n1 C[C@@H]1CC=CC[C@H]1COC(=O)c1ccccc1[*:1]
O=C(NC(=S)Nc1cccc(N2CCCC2)c1)c1ccc(Br)cc1 C1CCN(C1)[*:1] O=C(NC(=S)Nc1cccc(c1)[*:1])c1ccc(Br)cc1
O=C(NC(=S)Nc1cccc(N2CCCC2)c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(NC(=S)Nc1cccc(c1)N1CCCC1)[*:1]
CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 CC[C@@H](C)NC(=O)[*:1] CCN(c1ccccc1)S(=O)(=O)c1cccc(c1)[*:1]
CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 c1ccc(cc1)[*:1] CC[C@@H](C)NC(=O)c1cccc(c1)S(=O)(=O)N(CC)[*:1]
CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 CC[C@@H](C)[*:1] CCN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)N[*:1]
CCOc1cccc(C2=NN3C(=NN[C@@H]3[C@H]3C=C(C)N=N3)S2)c1 CCO[*:1] CC1=C[C@@H](N=N1)[C@H]1NN=C2SC(=NN21)c1cccc(c1)[*:1]
CC(C)Cn1ncc(C(=O)OC2CCN(S(C)(=O)=O)CC2)c1C1CC1 C1CC1[*:1] CC(C)Cn1ncc(C(=O)OC2CCN(CC2)S(C)(=O)=O)c1[*:1]
CC(C)Cn1ncc(C(=O)OC2CCN(S(C)(=O)=O)CC2)c1C1CC1 CC(C)[*:1] CS(=O)(=O)N1CCC(CC1)OC(=O)c1cnn(C[*:1])c1C1CC1
CC(C)Cn1ncc(C(=O)OC2CCN(S(C)(=O)=O)CC2)c1C1CC1 CC(C)C[*:1] CS(=O)(=O)N1CCC(CC1)OC(=O)c1cnn(c1C1CC1)[*:1]
Cc1nn(-c2nc3ccc(Br)cc3s2)c2c1[C@H](c1cccs1)CC(=O)N2 c1csc(c1)[*:1] Cc1nn(-c2nc3ccc(Br)cc3s2)c2NC(=O)C[C@@H](c12)[*:1]
CC(=O)c1cc(C(N)=O)n(C)c1 NC(=O)[*:1] CC(=O)c1cc(n(C)c1)[*:1]
CC(=O)c1cc(C(N)=O)n(C)c1 CC(=O)[*:1] Cn1cc(cc1C(N)=O)[*:1]
CNS(=O)(=O)CC(=O)Nc1ccc(COc2ccccc2)cc1 CNS(=O)(=O)[*:1] O=C(C[*:1])Nc1ccc(cc1)COc1ccccc1
CNS(=O)(=O)CC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)[*:1] CNS(=O)(=O)CC(=O)Nc1ccc(cc1)CO[*:1]
CNS(=O)(=O)CC(=O)Nc1ccc(COc2ccccc2)cc1 c1ccc(cc1)O[*:1] CNS(=O)(=O)CC(=O)Nc1ccc(cc1)C[*:1]
CNS(=O)(=O)CC(=O)Nc1ccc(COc2ccccc2)cc1 CNS(=O)(=O)C[*:1] O=C(Nc1ccc(cc1)COc1ccccc1)[*:1]
CCN(CC)c1ccc2nc3c(=O)[nH]c([O-])nc3nc2c1 CCN(CC)[*:1] O=c1[nH]c([O-])nc2nc3cc(ccc3nc12)[*:1]
CCc1cnc(C)nc1N[C@H](C)Cc1cccnc1 c1cncc(c1)[*:1] CCc1cnc(C)nc1N[C@H](C)C[*:1]
CCC(C)(C)NC(=O)c1nn(C(C)C)c(=O)c2ccccc12 CCC(C)(C)[*:1] CC(C)n1nc(C(=O)N[*:1])c2ccccc2c1=O
CCC(C)(C)NC(=O)c1nn(C(C)C)c(=O)c2ccccc12 CC(C)[*:1] CCC(C)(C)NC(=O)c1nn(c(=O)c2ccccc12)[*:1]
Cc1ccc(NC(=O)C(=O)N2CSC[C@H]2C(=O)[O-])cc1 O=C([O-])[*:1] Cc1ccc(cc1)NC(=O)C(=O)N1CSC[C@@H]1[*:1]
CCC[C@H]1CN(Cc2cnc3nc(C)cc(C)n23)CCO1 CCC[*:1] Cc1cc(C)n2c(cnc2n1)CN1CCO[C@H](C1)[*:1]
C[C@@H](N)c1cc[nH+]c(N(C)C2CCCCCC2)c1 C[C@@H](N)[*:1] CN(c1cc(cc[nH+]1)[*:1])C1CCCCCC1
COC(=O)c1ccc(C(=O)NCCOc2cccc3ccccc23)nc1 COC(=O)[*:1] O=C(NCCOc1cccc2ccccc12)c1ccc(cn1)[*:1]
O=C(NCCC1CCC1)N[C@@H](CO)c1ccc(Cl)cc1 C1CC(C1)CC[*:1] O=C(N[C@@H](CO)c1ccc(Cl)cc1)N[*:1]
O=C(NCCC1CCC1)N[C@@H](CO)c1ccc(Cl)cc1 C1CC(C1)[*:1] O=C(NCC[*:1])N[C@@H](CO)c1ccc(Cl)cc1
O=C(NCCC1CCC1)N[C@@H](CO)c1ccc(Cl)cc1 C1CC(C1)C[*:1] O=C(NC[*:1])N[C@@H](CO)c1ccc(Cl)cc1
COc1ccc(CN[C@@H](C)C(N)=O)cc1Br C[C@@H](C(N)=O)[*:1] COc1ccc(cc1Br)CN[*:1]
COc1ccc(CN[C@@H](C)C(N)=O)cc1Br NC(=O)[*:1] COc1ccc(cc1Br)CN[C@@H](C)[*:1]
Cc1nc(C#N)c(NC[C@@H](c2ccccc2)[NH+](C)C)o1 c1ccc(cc1)[*:1] Cc1nc(C#N)c(NC[C@@H]([NH+](C)C)[*:1])o1
CC[C@@H](CSC)N(C)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] CC[C@@H](CSC)N(C)C(=O)c1ccc(Cl)c(c1)[*:1]
CC[C@@H](CSC)N(C)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 CSC[*:1] CC[C@@H](N(C)C(=O)c1ccc(Cl)c(c1)S(C)(=O)=O)[*:1]
C[C@@H]1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)C[C@H]1N1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]1CN(C[C@@H]1[*:1])C(=O)Cc1c[nH]c2cc(F)ccc12
COc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2OC)c1 O=[N+]([O-])[*:1] COc1ccccc1C(=O)Nc1ccc(c(c1)NC(=O)c1ccccc1OC)[*:1]
COc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2OC)c1 COc1ccccc1[*:1] COc1ccccc1C(=O)Nc1ccc(c(c1)NC(=O)[*:1])[N+](=O)[O-]
COc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2OC)c1 COc1ccccc1[*:1] COc1ccccc1C(=O)Nc1cc(ccc1[N+](=O)[O-])NC(=O)[*:1]
Cc1ccc(NC(=O)c2c(N)n(/N=C/c3ccc(F)cc3)c3nc4ccccc4nc23)cc1 Cc1ccc(cc1)[*:1] Nc1c(C(=O)N[*:1])c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1
Cc1ccc(NC(=O)c2c(N)n(/N=C/c3ccc(F)cc3)c3nc4ccccc4nc23)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)c1c(N)n(N=C[*:1])c2nc3ccccc3nc12
Cc1ccc(NC(=O)c2c(N)n(/N=C/c3ccc(F)cc3)c3nc4ccccc4nc23)cc1 Cc1ccc(cc1)NC(=O)[*:1] Nc1c(c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1)[*:1]
CCNc1nc(NCCNC(=O)c2ccc(F)cc2)cc(C)[nH+]1 Fc1ccc(cc1)[*:1] CCNc1nc(cc(C)[nH+]1)NCCNC(=O)[*:1]
CCNc1nc(NCCNC(=O)c2ccc(F)cc2)cc(C)[nH+]1 CCN[*:1] Cc1cc(nc([nH+]1)[*:1])NCCNC(=O)c1ccc(F)cc1
CCC(CC)c1nnc(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2)s1 CCC(CC)[*:1] O=C(Nc1nnc(s1)[*:1])N[C@@H](CO)c1ccc(Cl)cc1
CCC(CC)c1nnc(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] CCC(CC)c1nnc(NC(=O)N[C@@H](CO)[*:1])s1
C[C@@H](O)c1nc(-c2ccccc2)cs1 C[C@@H](O)[*:1] c1ccc(cc1)-c1csc(n1)[*:1]
C[C@H](NC(=O)/C=C(/c1ccccc1)C(F)(F)F)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)/C=C(/c1ccccc1)C(F)(F)F)[*:1]
C[C@H](NC(=O)/C=C(/c1ccccc1)C(F)(F)F)[C@@H]1CCCO1 FC(F)(F)[*:1] C[C@H](NC(=O)C=C(c1ccccc1)[*:1])[C@@H]1CCCO1
C[C@H](NC(=O)/C=C(/c1ccccc1)C(F)(F)F)[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@H](NC(=O)/C=C(\C(F)(F)F)[*:1])[C@@H]1CCCO1
CCc1nc2c(s1)[C@H]([NH2+]CCOc1ccc(Cl)cn1)CCC2 Clc1ccc(nc1)[*:1] CCc1nc2CCC[C@@H]([NH2+]CCO[*:1])c2s1
CCN(C[C@@H]1CCOC1)C(=O)CNc1cccc(C(F)(F)F)c1 C1C[C@H](CO1)C[*:1] CCN(C(=O)CNc1cccc(c1)C(F)(F)F)[*:1]
CCN(C[C@@H]1CCOC1)C(=O)CNc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCN(C[C@@H]1CCOC1)C(=O)CNc1cccc(c1)[*:1]
O=C(NCCCSc1ccccc1)N[C@@H]1CCCC[C@H]1CO c1ccc(cc1)S[*:1] O=C(NCCC[*:1])N[C@@H]1CCCC[C@H]1CO
O=C(NCCCSc1ccccc1)N[C@@H]1CCCC[C@H]1CO c1ccc(cc1)[*:1] O=C(NCCCS[*:1])N[C@@H]1CCCC[C@H]1CO
CCC[C@@H]([NH2+][C@@H]1COc2ccccc21)C1CC1 CCC[*:1] c1ccc2c(c1)OC[C@H]2[NH2+][C@@H](C1CC1)[*:1]
CCC[C@@H]([NH2+][C@@H]1COc2ccccc21)C1CC1 C1CC1[*:1] CCC[C@@H]([NH2+][C@@H]1COc2ccccc21)[*:1]
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] Cc1nc([nH]c(=O)c1C(=O)Nc1cccc(c1)[*:1])C(C)(C)C
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1cccc(C(F)(F)F)c1 CC(C)(C)[*:1] Cc1nc([nH]c(=O)c1C(=O)Nc1cccc(c1)C(F)(F)F)[*:1]
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OC Clc1ccc(cc1)[*:1] COc1cc(/C=N/NC(=O)[*:1])cc(Br)c1OC
Cc1c(NC(=O)c2cc[n+]([O-])cc2)cccc1N1CCOC1=O [O-][n+]1ccc(cc1)[*:1] Cc1c(cccc1N1CCOC1=O)NC(=O)[*:1]
Cc1c(NC(=O)c2cc[n+]([O-])cc2)cccc1N1CCOC1=O O=C1OCCN1[*:1] Cc1c(cccc1[*:1])NC(=O)c1cc[n+]([O-])cc1
CCCNc1nc(C)cc(-c2cc(C)ccc2F)n1 CCC[*:1] Cc1ccc(F)c(c1)-c1cc(C)nc(n1)N[*:1]
CCCNc1nc(C)cc(-c2cc(C)ccc2F)n1 CCCN[*:1] Cc1ccc(F)c(c1)-c1cc(C)nc(n1)[*:1]
Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N(C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1S(=O)(=O)N(C)[*:1])-c1nn(C)c(=O)c2CCCCc12
CC(C)c1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)cc1 CC(C)c1ccc(cc1)C[*:1] O=C(Nc1nnc(o1)[*:1])C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
CC(C)c1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)cc1 CC(C)c1ccc(cc1)[*:1] O=C(Nc1nnc(C[*:1])o1)C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
CC(C)c1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)cc1 Fc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)Cc1nnc(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])o1
CC(C)c1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)cc1 CC(C)[*:1] O=C(Nc1nnc(Cc2ccc(cc2)[*:1])o1)C1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
Cc1noc(C)c1COC(=O)COc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1noc(C)c1COC(=O)COc1ccccc1[*:1]
Cc1noc(C)c1COC(=O)COc1ccccc1[N+](=O)[O-] Cc1noc(C)c1[*:1] O=C(COc1ccccc1[N+](=O)[O-])OC[*:1]
CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 C1CCC(CC1)[*:1] CCOC(=O)[C@@](O)(c1ccccc1)[*:1]
CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 c1ccc(cc1)[*:1] CCOC(=O)[C@@](O)(C1CCCCC1)[*:1]
CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 CCOC(=O)[*:1] O[C@@](c1ccccc1)(C1CCCCC1)[*:1]
COC(=O)NCC(=O)Oc1cc(C)cc(C)c1C COC(=O)N[*:1] Cc1cc(C)c(C)c(c1)OC(=O)C[*:1]
COC(=O)NCC(=O)Oc1cc(C)cc(C)c1C COC(=O)NC[*:1] Cc1cc(C)c(C)c(c1)OC(=O)[*:1]
CC/C=C/C/C=C\CCOC(C)=O CCC=C[*:1] CC(=O)OCC/C=C\C[*:1]
CC/C=C/C/C=C\CCOC(C)=O CC(=O)O[*:1] CC/C=C/C/C=C\CC[*:1]
CCCCOC(=O)C[NH+]1CCC(c2nc(C)no2)CC1 Cc1noc(n1)[*:1] CCCCOC(=O)C[NH+]1CCC(CC1)[*:1]
CCCCOC(=O)C[NH+]1CCC(c2nc(C)no2)CC1 CCC[*:1] Cc1noc(n1)C1CC[NH+](CC1)CC(=O)OC[*:1]
CCCCOC(=O)C[NH+]1CCC(c2nc(C)no2)CC1 CCCC[*:1] Cc1noc(n1)C1CC[NH+](CC1)CC(=O)O[*:1]
CCOCC(=O)NNC(=O)c1ccccc1Cn1cncn1 CCOC[*:1] O=C(NNC(=O)[*:1])c1ccccc1Cn1cncn1
CCOCC(=O)NNC(=O)c1ccccc1Cn1cncn1 c1ncn(n1)[*:1] CCOCC(=O)NNC(=O)c1ccccc1C[*:1]
CCOCC(=O)NNC(=O)c1ccccc1Cn1cncn1 CCO[*:1] O=C(C[*:1])NNC(=O)c1ccccc1Cn1cncn1
CCOCC(=O)NNC(=O)c1ccccc1Cn1cncn1 c1ncn(C[*:1])n1 CCOCC(=O)NNC(=O)c1ccccc1[*:1]
CC(C)C[C@@](C)(NC(=O)c1cc2ccccc2cc1OC(F)F)C(N)=O CC(C)[*:1] C[C@](C[*:1])(NC(=O)c1cc2ccccc2cc1OC(F)F)C(N)=O
CC(C)C[C@@](C)(NC(=O)c1cc2ccccc2cc1OC(F)F)C(N)=O CC(C)C[*:1] C[C@@](NC(=O)c1cc2ccccc2cc1OC(F)F)(C(N)=O)[*:1]
CC(C)C[C@@](C)(NC(=O)c1cc2ccccc2cc1OC(F)F)C(N)=O NC(=O)[*:1] CC(C)C[C@@](C)(NC(=O)c1cc2ccccc2cc1OC(F)F)[*:1]
CC(C)C[C@@](C)(NC(=O)c1cc2ccccc2cc1OC(F)F)C(N)=O FC(F)O[*:1] CC(C)C[C@@](C)(NC(=O)c1cc2ccccc2cc1[*:1])C(N)=O
CC(C)C[C@@](C)(NC(=O)c1cc2ccccc2cc1OC(F)F)C(N)=O FC(F)[*:1] CC(C)C[C@@](C)(NC(=O)c1cc2ccccc2cc1O[*:1])C(N)=O
O=C(CCCNC(=O)c1ccc(F)cc1)Nc1cccc(F)c1F Fc1cccc(c1F)[*:1] O=C(CCCNC(=O)c1ccc(F)cc1)N[*:1]
O=C(CCCNC(=O)c1ccc(F)cc1)Nc1cccc(F)c1F Fc1ccc(cc1)[*:1] O=C(CCCNC(=O)[*:1])Nc1cccc(F)c1F
Cc1ccc(S(=O)(=O)NC(=O)N(C2CC2)C2CC[NH+](C)CC2)cc1 Cc1ccc(cc1)[*:1] C[NH+]1CCC(CC1)N(C(=O)NS(=O)(=O)[*:1])C1CC1
Cc1ccc(S(=O)(=O)NC(=O)N(C2CC2)C2CC[NH+](C)CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)S(=O)(=O)NC(=O)N(C1CC[NH+](C)CC1)[*:1]
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)c1cnn(-c2ccccc2F)c1[*:1]
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F FC(F)(F)[*:1] O=C(Nc1ccc(cc1)O[*:1])c1cnn(-c2ccccc2F)c1C(F)(F)F
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F FC(F)(F)O[*:1] O=C(Nc1ccc(cc1)[*:1])c1cnn(-c2ccccc2F)c1C(F)(F)F
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F Fc1ccccc1[*:1] O=C(Nc1ccc(cc1)OC(F)(F)F)c1cnn(c1C(F)(F)F)[*:1]
COC(=O)c1ccc(C)c(NCc2ccc(SC(=O)N(C)C)cc2)c1 CN(C)C(=O)S[*:1] COC(=O)c1ccc(C)c(c1)NCc1ccc(cc1)[*:1]
COC(=O)c1ccc(C)c(NCc2ccc(SC(=O)N(C)C)cc2)c1 COC(=O)[*:1] Cc1ccc(cc1NCc1ccc(cc1)SC(=O)N(C)C)[*:1]
C[C@H](N[C@@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)cc1Cl NC(=O)[*:1] C[C@H](N[C@@H](c1ccc(F)cc1)[*:1])c1ccc(F)cc1Cl
C[C@H](N[C@@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)cc1Cl Fc1ccc(cc1)[*:1] C[C@H](N[C@@H](C(N)=O)[*:1])c1ccc(F)cc1Cl
CCCCNC(=O)NC[C@@H](C)Oc1ccccc1F CCCC[*:1] C[C@H](CNC(=O)N[*:1])Oc1ccccc1F
CCCCNC(=O)NC[C@@H](C)Oc1ccccc1F CCC[*:1] C[C@H](CNC(=O)NC[*:1])Oc1ccccc1F
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](O)c2cccs2)cc1 c1csc(c1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)NCC[C@@H](O)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](O)c2cccs2)cc1 O=[N+]([O-])[*:1] O=S(=O)(NCC[C@@H](O)c1cccs1)c1ccc(cc1)[*:1]
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NS(=O)(=O)c4cccc(F)c4)c(=O)n2C3)cc1 COc1ccc(cc1)[*:1] O=C(N1C[C@@H]2C[C@H](C1)c1ccc(NS(=O)(=O)c3cccc(F)c3)c(=O)n1C2)[*:1]
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NS(=O)(=O)c4cccc(F)c4)c(=O)n2C3)cc1 O=S(=O)(N[*:1])c1cccc(F)c1 COc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H](C1)c1ccc(c(=O)n1C2)[*:1]
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NS(=O)(=O)c4cccc(F)c4)c(=O)n2C3)cc1 Fc1cccc(c1)[*:1] COc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NS(=O)(=O)[*:1])c(=O)n1C2
COc1ccc([C@@](C)(O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] C[C@@](O)([C@H](C[NH+]1CCCCC1)c1ccccc1)[*:1]
COc1ccc([C@@](C)(O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@](C)(O)[C@H](C[NH+]1CCCCC1)[*:1]
C[C@@H](C#N)N[C@@H](C)CCCO OCC[*:1] C[C@@H](C#N)N[C@@H](C)C[*:1]
CC[C@](C)([NH2+]CCC(=O)Nc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] CC[C@](C)([NH2+]CCC(=O)N[*:1])C(=O)[O-]
Cc1ccc([C@@H]([NH3+])[C@@H]2CN(C(C)C)CCO2)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@@H]([NH3+])[C@@H]1CN(CCO1)[*:1]
Nc1nn(CC(=O)c2ccc(F)c(Cl)c2)c(=S)n1Nc1cccs1 Fc1ccc(cc1Cl)[*:1] Nc1nn(CC(=O)[*:1])c(=S)n1Nc1cccs1
Nc1nn(CC(=O)c2ccc(F)c(Cl)c2)c(=S)n1Nc1cccs1 c1csc(c1)[*:1] Nc1nn(CC(=O)c2ccc(F)c(Cl)c2)c(=S)n1N[*:1]
CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1cccc(C(N)=O)c1 NC(=O)[*:1] CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1cccc(C(N)=O)c1 CN(C)S(=O)(=O)[*:1] NC(=O)c1cccc(c1)C[NH2+]Cc1ccccc1[*:1]
COc1ccc(C(=O)C(=O)O[C@@H](c2ccccc2)c2ccccn2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C(=O)O[C@@H](c1ccccn1)[*:1]
COc1ccc(C(=O)C(=O)O[C@@H](c2ccccc2)c2ccccn2)cc1 COc1ccc(cc1)[*:1] O=C(O[C@@H](c1ccccc1)c1ccccn1)C(=O)[*:1]
COc1ccc(C(=O)C(=O)O[C@@H](c2ccccc2)c2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)C(=O)C(=O)O[C@@H](c1ccccc1)[*:1]
CCOc1c(Cl)cc(CNC(=O)NCc2cccs2)cc1OC c1csc(c1)[*:1] CCOc1c(Cl)cc(cc1OC)CNC(=O)NC[*:1]
CCOc1c(Cl)cc(CNC(=O)NCc2cccs2)cc1OC CCO[*:1] COc1cc(cc(Cl)c1[*:1])CNC(=O)NCc1cccs1
CCOc1c(Cl)cc(CNC(=O)NCc2cccs2)cc1OC c1csc(c1)C[*:1] CCOc1c(Cl)cc(cc1OC)CNC(=O)N[*:1]
c1nc(N2CCOCC2)ncc1CNCCC[NH+]1CCCCC1 C1CN(CCO1)[*:1] c1nc(ncc1CNCCC[NH+]1CCCCC1)[*:1]
CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)C)cc2F)C1 CC(C)[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc(cc1F)O[*:1]
CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)C)cc2F)C1 CC(C)O[*:1] CC[C@H]1CCC[C@@H](C1)NC(=O)C(=O)Nc1ccc(cc1F)[*:1]
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1CCO O=[N+]([O-])[*:1] O=C(c1c[nH]c2ccc(cc12)[*:1])N1CCCC[C@H]1CCO
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1CCO OCC[*:1] O=C(c1c[nH]c2ccc(cc12)[N+](=O)[O-])N1CCCC[C@@H]1[*:1]
CCn1nc(C)c(CNC(=O)c2cccc(N(C)C)c2)c1C CN(C)[*:1] CCn1nc(C)c(CNC(=O)c2cccc(c2)[*:1])c1C
O=C(Cc1ccc(F)cc1)NCc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)CO[*:1] O=C(Cc1ccc(F)cc1)NCc1ccc(cc1)[*:1]
O=C(Cc1ccc(F)cc1)NCc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(Cc1ccc(F)cc1)NCc1ccc(cc1)O[*:1]
O=C(Cc1ccc(F)cc1)NCc1ccc(OCc2ccccc2)cc1 Fc1ccc(cc1)C[*:1] O=C(NCc1ccc(cc1)OCc1ccccc1)[*:1]
O=C(Cc1ccc(F)cc1)NCc1ccc(OCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(Cc1ccc(F)cc1)NCc1ccc(cc1)OC[*:1]
O=C(Cc1ccc(F)cc1)NCc1ccc(OCc2ccccc2)cc1 Fc1ccc(cc1)[*:1] O=C(C[*:1])NCc1ccc(cc1)OCc1ccccc1
Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2OCC(C)C)c(C)c1 CC(C)[*:1] Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2OC[*:1])c(C)c1
Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2OCC(C)C)c(C)c1 CC(C)C[*:1] Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2O[*:1])c(C)c1
Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2OCC(C)C)c(C)c1 CC(C)CO[*:1] Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2[*:1])c(C)c1
NC(=O)c1ccccc1SCc1cccs1 c1csc(c1)[*:1] NC(=O)c1ccccc1SC[*:1]
NC(=O)c1ccccc1SCc1cccs1 NC(=O)[*:1] c1csc(c1)CSc1ccccc1[*:1]
COC(=O)[C@@]1(F)CCN(c2ccc(F)cc2[N+](=O)[O-])C1 O=[N+]([O-])[*:1] COC(=O)[C@@]1(F)CCN(C1)c1ccc(F)cc1[*:1]
COC(=O)[C@@]1(F)CCN(c2ccc(F)cc2[N+](=O)[O-])C1 COC(=O)[*:1] O=[N+]([O-])c1cc(F)ccc1N1CC[C@](F)(C1)[*:1]
Cc1nc(NC2CCCCCC2)sc1C(=O)[O-] O=C([O-])[*:1] Cc1nc(NC2CCCCCC2)sc1[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 C1CCC(CC1)[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[*:1]
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 CN(C1CCCCC1)S(=O)(=O)[*:1] O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(cc1)[*:1]
N/C(CNC(=O)[C@@H]1Cc2ccccc2S1)=N\O N/C(=N\O)[*:1] O=C(NC[*:1])[C@@H]1Cc2ccccc2S1
N/C(CNC(=O)[C@@H]1Cc2ccccc2S1)=N\O N/C(C[*:1])=N\O O=C(N[*:1])[C@@H]1Cc2ccccc2S1
CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 Cc1ccccc1NC(=O)[*:1] CCSc1nc2NC(C)=C([C@@H](c3ccc(C)cc3)n2n1)[*:1]
CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 Cc1ccccc1[*:1] CCSc1nc2NC(C)=C(C(=O)N[*:1])[C@@H](c3ccc(C)cc3)n2n1
CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 CCS[*:1] CC1Nc2nc(nn2[C@@H](C=1C(=O)Nc1ccccc1C)c1ccc(C)cc1)[*:1]
CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 Cc1ccc(cc1)[*:1] CCSc1nc2NC(C)=C(C(=O)Nc3ccccc3C)[C@@H](n2n1)[*:1]
COc1cc(CS[C@H](C)C(=O)Nc2c(C)cccc2C)ccc1SC Cc1cccc(C)c1[*:1] COc1cc(ccc1SC)CS[C@H](C)C(=O)N[*:1]
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[*:1]
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccccc1Cl c1ccc(cc1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])Nc1ccccc1Cl
CCCCS[C@@H]1CC[C@@]([NH2+]CC)(C(=O)[O-])C1 CCCCS[*:1] CC[NH2+][C@]1(CC[C@H](C1)[*:1])C(=O)[O-]
CCCCS[C@@H]1CC[C@@]([NH2+]CC)(C(=O)[O-])C1 CCC[*:1] CC[NH2+][C@]1(CC[C@H](C1)SC[*:1])C(=O)[O-]
CCCCS[C@@H]1CC[C@@]([NH2+]CC)(C(=O)[O-])C1 O=C([O-])[*:1] CCCCS[C@@H]1CC[C@](C1)([NH2+]CC)[*:1]
CCCCS[C@@H]1CC[C@@]([NH2+]CC)(C(=O)[O-])C1 CCCC[*:1] CC[NH2+][C@]1(CC[C@H](C1)S[*:1])C(=O)[O-]
Cc1ccc(C[NH+](C)Cc2ccc(C(=O)N(C)C)[nH]2)s1 CN(C)C(=O)[*:1] Cc1ccc(C[NH+](C)Cc2ccc([nH]2)[*:1])s1
Cc1ccc(C[NH+](C)Cc2ccc(C(=O)N(C)C)[nH]2)s1 Cc1ccc(s1)[*:1] CN(C)C(=O)c1ccc(C[NH+](C)C[*:1])[nH]1
CON(C)Cc1ccc(Br)c(F)c1 CON(C)[*:1] Fc1cc(ccc1Br)C[*:1]
Cc1cc(C(=O)N2CCN(CC(=O)NCCCC(C)C)CC2)c(C)o1 CC(C)CC[*:1] Cc1cc(C(=O)N2CCN(CC2)CC(=O)NC[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(CC(=O)NCCCC(C)C)CC2)c(C)o1 CC(C)CCC[*:1] Cc1cc(C(=O)N2CCN(CC2)CC(=O)N[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(CC(=O)NCCCC(C)C)CC2)c(C)o1 CC(C)[*:1] Cc1cc(C(=O)N2CCN(CC2)CC(=O)NCCC[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(CC(=O)NCCCC(C)C)CC2)c(C)o1 CC(C)C[*:1] Cc1cc(C(=O)N2CCN(CC2)CC(=O)NCC[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(CC(=O)NCCCC(C)C)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] CC(C)CCCNC(=O)CN1CCN(CC1)C(=O)[*:1]
C/[NH+]=C(/NCCc1ccc(F)cc1F)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C Fc1ccc(c(F)c1)[*:1] C/[NH+]=C(/NCC[*:1])N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
CN(C)c1cc(C(=O)NC2(c3cccc(F)c3)CCOCC2)ccn1 Fc1cccc(c1)[*:1] CN(C)c1cc(ccn1)C(=O)NC1(CCOCC1)[*:1]
CN(C)c1cc(C(=O)NC2(c3cccc(F)c3)CCOCC2)ccn1 CN(C)[*:1] O=C(NC1(CCOCC1)c1cccc(F)c1)c1ccnc(c1)[*:1]
C[C@@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1)c1ccncc1 FC(F)(F)C[*:1] C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)[*:1])c1ccncc1
C[C@@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1)c1ccncc1 Clc1ccc(cc1)[*:1] C[C@@H]([NH2+][C@@H](CC(F)(F)F)[*:1])c1ccncc1
C[C@@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1)[*:1]
C[C@@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1)c1ccncc1 FC(F)(F)[*:1] C[C@@H]([NH2+][C@@H](C[*:1])c1ccc(Cl)cc1)c1ccncc1
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(CS(N)(=O)=O)c1 Clc1ccc(cc1)O[*:1] CC(C)(C(=O)Nc1cccc(c1)CS(N)(=O)=O)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(CS(N)(=O)=O)c1 NS(=O)(=O)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)C[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(CS(N)(=O)=O)c1 NS(=O)(=O)C[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)[*:1]
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(CS(N)(=O)=O)c1 Clc1ccc(cc1)[*:1] CC(C)(O[*:1])C(=O)Nc1cccc(c1)CS(N)(=O)=O
CC(C)(C)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)cc1 O=C(C[*:1])N1CCCCC1 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)O[*:1]
CC(C)(C)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)cc1 O=C(N1CCCCC1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)OC[*:1]
CC(C)(C)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)OCC(=O)N1CCCCC1)c1ccc(cc1)[*:1]
C#CCOc1ccc(NC(=O)N[C@H](c2ccc(OC)cc2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] C#CCOc1ccc(cc1)NC(=O)N[C@H](C1CCOCC1)[*:1]
C#CCOc1ccc(NC(=O)N[C@H](c2ccc(OC)cc2)C2CCOCC2)cc1 C#CCO[*:1] COc1ccc(cc1)[C@@H](NC(=O)Nc1ccc(cc1)[*:1])C1CCOCC1
C#CCOc1ccc(NC(=O)N[C@H](c2ccc(OC)cc2)C2CCOCC2)cc1 C#CC[*:1] COc1ccc(cc1)[C@@H](NC(=O)Nc1ccc(cc1)O[*:1])C1CCOCC1
C#CCOc1ccc(NC(=O)N[C@H](c2ccc(OC)cc2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] C#CCOc1ccc(cc1)NC(=O)N[C@H](c1ccc(cc1)OC)[*:1]
N#CCC(=O)Nc1ccc(C(=O)NCCCc2ccccc2)cc1 N#CCC(=O)N[*:1] O=C(NCCCc1ccccc1)c1ccc(cc1)[*:1]
N#CCC(=O)Nc1ccc(C(=O)NCCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] N#CCC(=O)Nc1ccc(cc1)C(=O)NCC[*:1]
N#CCC(=O)Nc1ccc(C(=O)NCCCc2ccccc2)cc1 N#CC[*:1] O=C(NCCCc1ccccc1)c1ccc(cc1)NC(=O)[*:1]
N#CCC(=O)Nc1ccc(C(=O)NCCCc2ccccc2)cc1 c1ccc(cc1)[*:1] N#CCC(=O)Nc1ccc(cc1)C(=O)NCCC[*:1]
N#CCC(=O)Nc1ccc(C(=O)NCCCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] N#CCC(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CC(=O)Nc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cc1 CC(C)O[*:1] CC(=O)Nc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(cc2)[*:1])cc1
CC(=O)Nc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cc1 CC(C)[*:1] CC(=O)Nc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(cc2)O[*:1])cc1
CC(=O)Nc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cc1 CC(=O)N[*:1] CC(C)Oc1ccc(cc1)[C@H](C)NC(=O)/C=C/c1ccc(cc1)[*:1]
C[C@@H](NS(=O)(=O)c1ccccc1-c1ccccc1)c1cccnc1 c1ccc(cc1)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1[*:1])c1cccnc1
C[C@@H](NS(=O)(=O)c1ccccc1-c1ccccc1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](NS(=O)(=O)c1ccccc1-c1ccccc1)[*:1]
O[C@H]1CCC[C@H]1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 O[C@H]1CCC[C@@H]1[*:1] C1C[C@H](CC2(CCSCC2)O1)[NH2+]C[*:1]
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C COc1ccc(cc1C)[*:1] O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)[*:1]
CC(C)c1noc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 CC(C)[*:1] O=C(c1ccc(Cl)cc1)N1CCC[C@H](C1)c1nc(no1)[*:1]
CC(C)c1noc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 Clc1ccc(cc1)[*:1] CC(C)c1noc(n1)[C@@H]1CCCN(C1)C(=O)[*:1]
CC[C@H](C)N(C)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C C1CC1[*:1] CC[C@H](C)N(C)C(=O)Nc1cc(ccc1C)NC(=O)[*:1]
CC[C@H](C)N(C)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C O=C(N[*:1])C1CC1 CC[C@H](C)N(C)C(=O)Nc1cc(ccc1C)[*:1]
Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@H]3CC[C@@H]([NH+](C)C)C3)CCCC2)c1 Cc1ccc(C)c(c1)[*:1] C[NH+](C)[C@@H]1CC[C@@H](C1)NC(=O)C1(CCCC1)S(=O)(=O)[*:1]
CCN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl CCN(CCO)C(=O)[*:1] O=C1NCCN(Cc2c(F)cccc2Cl)[C@@H]1C[*:1]
CCN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl OCC[*:1] CCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)[*:1]
CCN(CCO)C(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] CCN(CCO)C(=O)C[C@@H]1C(=O)NCCN1C[*:1]
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@H](c2ccco2)N1CCCN1CCOCC1)[*:1]
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1)c1ccccc1 C1CN(CCO1)[*:1] O=C(C1=C([O-])C(=O)N(CCC[*:1])[C@H]1c1ccco1)c1ccccc1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1)c1ccccc1 c1coc(c1)[*:1] O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccco2)N1CCCN1CCOCC1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1)c1ccccc1 C1CN(CCO1)C[*:1] O=C(C1=C([O-])C(=O)N(CC[*:1])[C@H]1c1ccco1)c1ccccc1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1)c1ccccc1 C(CN1CCOCC1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccco1)[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1)c1ccccc1 C1CN(CCO1)CC[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccco1)c1ccccc1
COC(=O)c1sc(NC(=O)Cc2cccc(F)c2F)nc1C COC(=O)[*:1] Cc1nc(NC(=O)Cc2cccc(F)c2F)sc1[*:1]
CNC(=O)c1ccc(N2CCN(C(C)(C)C#N)CC2)nn1 CC(C)(C#N)[*:1] CNC(=O)c1ccc(nn1)N1CCN(CC1)[*:1]
CNC(=O)c1ccc(N2CCN(C(C)(C)C#N)CC2)nn1 CNC(=O)[*:1] CC(C)(C#N)N1CCN(CC1)c1ccc(nn1)[*:1]
C[NH+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)Cc1ccccc1F Fc1ccccc1[*:1] C[NH+](CC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1)C[*:1]
C[NH+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)Cc1ccccc1F O=S(=O)(N1CCCCCC1)[*:1] C[NH+](CC(=O)Nc1cc(ccc1Cl)[*:1])Cc1ccccc1F
C[NH+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)Cc1ccccc1F Fc1ccccc1C[*:1] C[NH+](CC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1)[*:1]
Cc1nn([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(c(C)c1[N+](=O)[O-])[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
Cc1nn([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(c(C)c1[*:1])[C@@H](C)C(=O)Nc1cccc(c1)[N+](=O)[O-]
Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C CC(C)CC[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C NC(=O)[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C)[*:1]
Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C CC(C)[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CC[*:1])C(N)=O
Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C CC(C)C[*:1] Cc1ccc(cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1C[*:1])C(N)=O
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 CC(C)[*:1] CN1C[C@@H](CC1=O)C(=O)N[C@H]1CCC[C@H]1CC[*:1]
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 CC(C)C[*:1] CN1C[C@@H](CC1=O)C(=O)N[C@H]1CCC[C@H]1C[*:1]
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 CC(C)CC[*:1] CN1C[C@@H](CC1=O)C(=O)N[C@H]1CCC[C@H]1[*:1]
CCN(CC(C)C)c1ccccc1CO CC(C)C[*:1] CCN(c1ccccc1CO)[*:1]
CCN(CC(C)C)c1ccccc1CO CC(C)[*:1] CCN(C[*:1])c1ccccc1CO
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 O=[N+]([O-])[*:1] C[C@H](Oc1ccccc1[*:1])C(=O)Nc1ccc(Cl)c(c1)C(=O)NC1CCCCC1
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 O=C(NC1CCCCC1)[*:1] C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(c1)[*:1]
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(c1)C(=O)N[*:1]
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 O=[N+]([O-])c1ccccc1O[*:1] C[C@H](C(=O)Nc1ccc(Cl)c(c1)C(=O)NC1CCCCC1)[*:1]
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 O=[N+]([O-])c1ccccc1[*:1] C[C@H](O[*:1])C(=O)Nc1ccc(Cl)c(c1)C(=O)NC1CCCCC1
COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)n2N)c(OC)c1 COc1ccc(c(c1)OC)[*:1] Nn1c(nnc1[*:1])SCC(=O)Nc1ccc2CCCc2c1
COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)n2N)c(OC)c1 c1cc2CCCc2cc1[*:1] COc1ccc(c(c1)OC)-c1nnc(SCC(=O)N[*:1])n1N
CCOC(=O)Cc1ccccc1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C CCOC(=O)[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)Nc1ccccc1C[*:1]
CCOC(=O)Cc1ccccc1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C CCOC(=O)C[*:1] Cn1c(=O)[nH]c2cc(ccc21)C(=O)Nc1ccccc1[*:1]
CC[C@](O)(c1ccccc1)[C@@]1(C#N)CC[C@H](C)C1 c1ccc(cc1)[*:1] CC[C@](O)([C@@]1(C#N)CC[C@H](C)C1)[*:1]
CC(C)n1cc2cc(NC(=O)C(=O)NC[C@H](C)O)ccc2n1 C[C@H](O)C[*:1] CC(C)n1cc2cc(ccc2n1)NC(=O)C(=O)N[*:1]
CC(C)n1cc2cc(NC(=O)C(=O)NC[C@H](C)O)ccc2n1 CC(C)[*:1] C[C@H](O)CNC(=O)C(=O)Nc1ccc2nn(cc2c1)[*:1]
CC(C)n1cc2cc(NC(=O)C(=O)NC[C@H](C)O)ccc2n1 C[C@H](O)[*:1] CC(C)n1cc2cc(ccc2n1)NC(=O)C(=O)NC[*:1]
CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCOCC1 O=C(N[*:1])c1ccco1 CC[C@@H](NC(=O)c1ccccc1[*:1])C(=O)N1CCOCC1
CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCOCC1 c1coc(c1)[*:1] CC[C@@H](NC(=O)c1ccccc1NC(=O)[*:1])C(=O)N1CCOCC1
CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1CCOCC1 O=C(N1CCOCC1)[*:1] CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)[*:1]
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 O=C1CCN(C(=O)N1)[*:1] Cc1ccccc1[C@@H]1C[C@H](C)N(C1)C(=O)C[*:1]
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CN2CCC(=O)NC2=O)C1 Cc1ccccc1[*:1] C[C@H]1C[C@H](CN1C(=O)CN1CCC(=O)NC1=O)[*:1]
CC(C)CC1(CNC(=O)N(C)[C@H](C)c2cccnc2)CCCC1 CC(C)[*:1] C[C@H](c1cccnc1)N(C)C(=O)NCC1(CCCC1)C[*:1]
CC(C)CC1(CNC(=O)N(C)[C@H](C)c2cccnc2)CCCC1 CC(C)C[*:1] C[C@H](c1cccnc1)N(C)C(=O)NCC1(CCCC1)[*:1]
CC(C)CC1(CNC(=O)N(C)[C@H](C)c2cccnc2)CCCC1 c1cncc(c1)[*:1] CC(C)CC1(CCCC1)CNC(=O)N(C)[C@H](C)[*:1]
CCC[C@H]1NC(=O)CN(c2ccc(C)nc2C)C1=O CCC[*:1] Cc1ccc(c(C)n1)N1CC(=O)N[C@@H](C1=O)[*:1]
O=C(Oc1cccnc1Br)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 Brc1ncccc1[*:1] O=C(O[*:1])[C@H]1CCCN(C1)C(=O)Cc1ccc(F)cc1
O=C(Oc1cccnc1Br)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] O=C(Oc1cccnc1Br)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(Oc1cccnc1Br)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(Oc1cccnc1Br)[C@H]1CCCN(C1)C(=O)C[*:1]
Cc1occc1COC(=O)c1cccnc1OCC(F)(F)F FC(F)(F)CO[*:1] Cc1occc1COC(=O)c1cccnc1[*:1]
Cc1occc1COC(=O)c1cccnc1OCC(F)(F)F Cc1occc1C[*:1] O=C(O[*:1])c1cccnc1OCC(F)(F)F
Cc1occc1COC(=O)c1cccnc1OCC(F)(F)F FC(F)(F)C[*:1] Cc1occc1COC(=O)c1cccnc1O[*:1]
Cc1occc1COC(=O)c1cccnc1OCC(F)(F)F FC(F)(F)[*:1] Cc1occc1COC(=O)c1cccnc1OC[*:1]
Cc1occc1COC(=O)c1cccnc1OCC(F)(F)F Cc1occc1[*:1] O=C(OC[*:1])c1cccnc1OCC(F)(F)F
CC(=O)Nc1ccc(C)cc1NCC(=O)N(Cc1ccccc1)C(C)C c1ccc(cc1)[*:1] CC(=O)Nc1ccc(C)cc1NCC(=O)N(C[*:1])C(C)C
CC(=O)Nc1ccc(C)cc1NCC(=O)N(Cc1ccccc1)C(C)C CC(=O)N[*:1] Cc1ccc(c(c1)NCC(=O)N(Cc1ccccc1)C(C)C)[*:1]
CC(=O)Nc1ccc(C)cc1NCC(=O)N(Cc1ccccc1)C(C)C c1ccc(cc1)C[*:1] CC(=O)Nc1ccc(C)cc1NCC(=O)N(C(C)C)[*:1]
CC(=O)Nc1ccc(C)cc1NCC(=O)N(Cc1ccccc1)C(C)C CC(C)[*:1] CC(=O)Nc1ccc(C)cc1NCC(=O)N(Cc1ccccc1)[*:1]
C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] C[C@@H](CCc1ccc2OCOc2c1)[NH2+]C[C@@H]1CCCN(C1)[*:1]
C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCN(c2ncccn2)C1 c1cc2OCOc2cc1[*:1] C[C@@H](CC[*:1])[NH2+]C[C@@H]1CCCN(C1)c1ncccn1
CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)s1 CC(=O)NC[*:1] C[C@@H](NS(=O)(=O)c1ccc(s1)[*:1])[C@@H]1CCCO1
CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] CC(=O)NCc1ccc(s1)S(=O)(=O)N[C@H](C)[*:1]
CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)s1 CC(=O)N[*:1] C[C@@H](NS(=O)(=O)c1ccc(C[*:1])s1)[C@@H]1CCCO1
Cc1cc(C)n2nc(C(=O)NCCCCc3ccccc3)nc2n1 c1ccc(cc1)CC[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)NCC[*:1]
Cc1cc(C)n2nc(C(=O)NCCCCc3ccccc3)nc2n1 c1ccc(cc1)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)NCCCC[*:1]
Cc1cc(C)n2nc(C(=O)NCCCCc3ccccc3)nc2n1 c1ccc(cc1)C[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)NCCC[*:1]
COc1ccccc1CNC(=O)c1ccc2c([O-])nc3c(-c4cccc(F)c4)nnn3c2c1 COc1ccccc1C[*:1] O=C(N[*:1])c1ccc2c([O-])nc3c(nnn3c2c1)-c1cccc(F)c1
COc1ccccc1CNC(=O)c1ccc2c([O-])nc3c(-c4cccc(F)c4)nnn3c2c1 COc1ccccc1[*:1] O=C(NC[*:1])c1ccc2c([O-])nc3c(nnn3c2c1)-c1cccc(F)c1
COc1ccccc1CNC(=O)c1ccc2c([O-])nc3c(-c4cccc(F)c4)nnn3c2c1 Fc1cccc(c1)[*:1] COc1ccccc1CNC(=O)c1ccc2c([O-])nc3c(nnn3c2c1)[*:1]
C[C@@H]([NH2+]Cc1sccc1Br)C(=O)NC1CC1 C1CC1[*:1] C[C@@H]([NH2+]Cc1sccc1Br)C(=O)N[*:1]
Cc1noc2ncn(CC(=O)Nc3ccc(F)cc3)c(=O)c12 Fc1ccc(cc1)[*:1] Cc1noc2ncn(CC(=O)N[*:1])c(=O)c12
Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCCN1CCOCC1 C1CN(CCO1)[*:1] Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCC[*:1]
Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCCN1CCOCC1 C1CN(CCO1)CC[*:1] Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[*:1]
Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCCN1CCOCC1 C1CN(CCO1)C[*:1] Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC[*:1]
CC(C)(O)CC[NH2+]C[C@H]1CCCC[C@H]1CO CC(C)(O)[*:1] OC[C@@H]1CCCC[C@@H]1C[NH2+]CC[*:1]
CC(C)(O)CC[NH2+]C[C@H]1CCCC[C@H]1CO CC(C)(O)C[*:1] OC[C@@H]1CCCC[C@@H]1C[NH2+]C[*:1]
CCn1cc(CC(=O)N[C@]2(C(=O)OC)CCOC2)c2ccccc21 COC(=O)[*:1] CCn1cc(CC(=O)N[C@@]2(CCOC2)[*:1])c2ccccc21
O=C(NCCCCn1cc[nH+]c1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NCCCCn1cc[nH+]c1)N[*:1]
COc1ccc(Cl)c(NC(=O)C(=O)N(C)Cc2ccccc2Cl)c1 Clc1ccccc1C[*:1] COc1ccc(Cl)c(c1)NC(=O)C(=O)N(C)[*:1]
COc1ccc(Cl)c(NC(=O)C(=O)N(C)Cc2ccccc2Cl)c1 Clc1ccccc1[*:1] COc1ccc(Cl)c(c1)NC(=O)C(=O)N(C)C[*:1]
C=C(Br)Cc1cc(F)ccc1OC C=C(Br)[*:1] COc1ccc(F)cc1C[*:1]
C=C(Br)Cc1cc(F)ccc1OC C=C(Br)C[*:1] COc1ccc(F)cc1[*:1]
C=CCC[C@@H]([NH3+])[C@H]1CSCCO1 C=CC[*:1] [NH3+][C@H](C[*:1])[C@H]1CSCCO1
C=CCC[C@@H]([NH3+])[C@H]1CSCCO1 C=CCC[*:1] [NH3+][C@@H]([C@H]1CSCCO1)[*:1]
Cc1cc(N2CCC(NC(=O)c3ccccc3)CC2)c2ccccc2[nH+]1 c1ccc(cc1)[*:1] Cc1cc(c2ccccc2[nH+]1)N1CCC(CC1)NC(=O)[*:1]
COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)C4CCCC4)CC3)n2)cc1OC C1CCC(C1)[*:1] COc1ccc(cc1OC)-c1ccc(=O)n(CC2CCN(CC2)C(=O)[*:1])n1
COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)C4CCCC4)CC3)n2)cc1OC COc1ccc(cc1OC)[*:1] O=C(C1CCCC1)N1CCC(CC1)Cn1nc(ccc1=O)[*:1]
O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)NC1CCCC1 Clc1ccc(cc1)[*:1] O=C(CSc1ccc(nn1)[*:1])NC1CCCC1
O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)NC1CCCC1 C1CCC(C1)[*:1] O=C(CSc1ccc(nn1)-c1ccc(Cl)cc1)N[*:1]
CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1cccnc1 FC(F)O[*:1] CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1[*:1])c1cccnc1
CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1cccnc1 CC(C)[*:1] FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H](c1cccnc1)[*:1]
CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1cccnc1 c1cncc(c1)[*:1] CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)[*:1]
CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1cccnc1 FC(F)[*:1] CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1O[*:1])c1cccnc1
C#CCOC(=O)/C=C/c1ccc(NC(C)=O)cc1 C#CCOC(=O)[*:1] CC(=O)Nc1ccc(C=C[*:1])cc1
C#CCOC(=O)/C=C/c1ccc(NC(C)=O)cc1 C#CC[*:1] CC(=O)Nc1ccc(/C=C/C(=O)O[*:1])cc1
C#CCOC(=O)/C=C/c1ccc(NC(C)=O)cc1 CC(=O)N[*:1] C#CCOC(=O)/C=C/c1ccc(cc1)[*:1]
O=C(CSc1ccccn1)Nc1cccc(C(F)(F)F)c1 c1ccc(nc1)[*:1] O=C(CS[*:1])Nc1cccc(c1)C(F)(F)F
O=C(CSc1ccccn1)Nc1cccc(C(F)(F)F)c1 c1ccc(nc1)S[*:1] O=C(C[*:1])Nc1cccc(c1)C(F)(F)F
O=C(CSc1ccccn1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CSc1ccccn1)Nc1cccc(c1)[*:1]
Cc1cccc(O[C@@H](C)C(=O)N(c2ccc(C#N)cc2)C2CC2)c1 Cc1cccc(c1)O[*:1] C[C@@H](C(=O)N(c1ccc(C#N)cc1)C1CC1)[*:1]
Cc1cccc(O[C@@H](C)C(=O)N(c2ccc(C#N)cc2)C2CC2)c1 Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N(c1ccc(C#N)cc1)C1CC1
Cc1cccc(O[C@@H](C)C(=O)N(c2ccc(C#N)cc2)C2CC2)c1 N#Cc1ccc(cc1)[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)N(C1CC1)[*:1]
Cc1cccc(O[C@@H](C)C(=O)N(c2ccc(C#N)cc2)C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)O[C@@H](C)C(=O)N(c1ccc(C#N)cc1)[*:1]
O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCN(Cc2cccnc2)CC1 c1cncc(c1)C[*:1] O=C([C@H]1CC(=O)N(C1)C1CC1)N1CCN(CC1)[*:1]
O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCN(Cc2cccnc2)CC1 c1cncc(c1)[*:1] O=C([C@H]1CC(=O)N(C1)C1CC1)N1CCN(CC1)C[*:1]
O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCN(Cc2cccnc2)CC1 C1CC1[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCN(CC1)Cc1cccnc1
CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(O)cc2)cc1 Oc1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(cc1)CCC(=O)N(C)C[*:1]
CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(O)cc2)cc1 CNS(=O)(=O)[*:1] CN(Cc1ccc(O)cc1)C(=O)CCc1ccc(cc1)[*:1]
CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(O)cc2)cc1 Oc1ccc(cc1)C[*:1] CNS(=O)(=O)c1ccc(cc1)CCC(=O)N(C)[*:1]
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 COC(=O)[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])[C@@H]1CCCN(C1)C(=O)C1CC1
COC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 C1CC1[*:1] COC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
C[C@H]([NH2+]Cc1cccc(-c2nc[nH]n2)c1)c1ccccc1N(C)C CN(C)[*:1] C[C@H]([NH2+]Cc1cccc(c1)-c1nc[nH]n1)c1ccccc1[*:1]
C[C@H]([NH2+]Cc1cccc(-c2nc[nH]n2)c1)c1ccccc1N(C)C c1nc(n[nH]1)[*:1] C[C@H]([NH2+]Cc1cccc(c1)[*:1])c1ccccc1N(C)C
C[C@@H](c1ccncc1)[C@H](Br)c1c(F)cccc1F c1cc(ccn1)[*:1] C[C@@H]([C@H](Br)c1c(F)cccc1F)[*:1]
CC(C)CCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3 CC(C)[*:1] C[C@@H]1CCc2c(C1)sc1[nH]c(=S)n(CC[*:1])c(=O)c21
CC(C)CCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3 CC(C)CC[*:1] C[C@@H]1CCc2c(C1)sc1[nH]c(=S)n(c(=O)c21)[*:1]
CC(C)CCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3 CC(C)C[*:1] C[C@@H]1CCc2c(C1)sc1[nH]c(=S)n(C[*:1])c(=O)c21
CN(C)C(=O)COc1cccc(CNc2cc[nH+]c3cc(F)ccc23)c1 CN(C)C(=O)CO[*:1] Fc1ccc2c(cc[nH+]c2c1)NCc1cccc(c1)[*:1]
CN(C)C(=O)COc1cccc(CNc2cc[nH+]c3cc(F)ccc23)c1 CN(C)C(=O)C[*:1] Fc1ccc2c(cc[nH+]c2c1)NCc1cccc(c1)O[*:1]
CN(C)C(=O)COc1cccc(CNc2cc[nH+]c3cc(F)ccc23)c1 CN(C)C(=O)[*:1] Fc1ccc2c(cc[nH+]c2c1)NCc1cccc(c1)OC[*:1]
CC[C@@H](C)NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O CS(=O)(=O)NC[*:1] CC[C@@H](C)NC(=O)N1CCCC[C@H]1[*:1]
CC[C@@H](C)NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O CS(=O)(=O)N[*:1] CC[C@@H](C)NC(=O)N1CCCC[C@@H]1C[*:1]
CC[C@@H](C)NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O CC[C@@H](C)[*:1] CS(=O)(=O)NC[C@H]1CCCCN1C(=O)N[*:1]
CC(C)(CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)NCC#Cc1ccc(cc1)C(F)(F)F)[*:1]
CC(C)(CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccncc1 CC(C)(c1ccncc1)[*:1] O=C(NCC#Cc1ccc(cc1)C(F)(F)F)NC[*:1]
CC(C)(CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccncc1 FC(F)(F)[*:1] CC(C)(CNC(=O)NCC#Cc1ccc(cc1)[*:1])c1ccncc1
COc1cccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(Cl)ccc3n2)c1 COc1cccc(c1)[*:1] O=C(Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1)N[*:1]
CC(C)NC(=O)C(=O)N1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 CC(C)(C)[*:1] CC(C)NC(=O)C(=O)N1CCN(CC1)[C@@H](C)c1nc(no1)[*:1]
CC(C)NC(=O)C(=O)N1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 CC(C)[*:1] C[C@@H](c1nc(no1)C(C)(C)C)N1CCN(CC1)C(=O)C(=O)N[*:1]
CC[NH+](CC)C(C)(C)[C@@H](O)c1ccc(OC(C)C)cc1 CC(C)O[*:1] CC[NH+](CC)C(C)(C)[C@@H](O)c1ccc(cc1)[*:1]
CC[NH+](CC)C(C)(C)[C@@H](O)c1ccc(OC(C)C)cc1 CC(C)[*:1] CC[NH+](CC)C(C)(C)[C@@H](O)c1ccc(cc1)O[*:1]
O=C1CCCCCN1CCC[NH2+]Cc1cscn1 c1nc(cs1)[*:1] O=C1CCCCCN1CCC[NH2+]C[*:1]
O=C1CCCCCN1CCC[NH2+]Cc1cscn1 c1nc(cs1)C[*:1] O=C1CCCCCN1CCC[NH2+][*:1]
C[C@H](C#N)CNC(=O)c1cccc(SCC#N)c1 N#CC[*:1] C[C@H](C#N)CNC(=O)c1cccc(c1)S[*:1]
C[C@H](C#N)CNC(=O)c1cccc(SCC#N)c1 C[C@H](C#N)C[*:1] N#CCSc1cccc(c1)C(=O)N[*:1]
C[C@H](C#N)CNC(=O)c1cccc(SCC#N)c1 C[C@H](C#N)[*:1] N#CCSc1cccc(c1)C(=O)NC[*:1]
C[C@H](C#N)CNC(=O)c1cccc(SCC#N)c1 N#CCS[*:1] C[C@H](C#N)CNC(=O)c1cccc(c1)[*:1]
O=C(c1ccc(-c2ccco2)[nH]c1=O)N(Cc1ccccn1)C1CC1 c1ccc(nc1)[*:1] O=C(c1ccc([nH]c1=O)-c1ccco1)N(C[*:1])C1CC1
O=C(c1ccc(-c2ccco2)[nH]c1=O)N(Cc1ccccn1)C1CC1 c1coc(c1)[*:1] O=C(c1ccc([nH]c1=O)[*:1])N(Cc1ccccn1)C1CC1
O=C(c1ccc(-c2ccco2)[nH]c1=O)N(Cc1ccccn1)C1CC1 C1CC1[*:1] O=C(c1ccc([nH]c1=O)-c1ccco1)N(Cc1ccccn1)[*:1]
O=C(c1ccc(-c2ccco2)[nH]c1=O)N(Cc1ccccn1)C1CC1 c1ccc(C[*:1])nc1 O=C(c1ccc([nH]c1=O)-c1ccco1)N(C1CC1)[*:1]
CN(C)C(=O)N1CCC(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1 C1CCC(CC1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)Nc1ccc(c(F)c1)N(C)[*:1]
CN(C)C(=O)N1CCC(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1 CN(C1CCCCC1)[*:1] CN(C)C(=O)N1CCC(CC1)C(=O)Nc1ccc(c(F)c1)[*:1]
COC(=O)c1cc(Br)ccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 COC(=O)[*:1] COc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2[*:1])cc1OC
O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] O=C(Nc1ccc(nc1)N1CCOCC1)[C@@H]1CC(=O)N(C1)c1cccc(c1)[*:1]
O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 C1CN(CCO1)[*:1] O=C(Nc1ccc(nc1)[*:1])[C@@H]1CC(=O)N(C1)c1cccc(c1)C(F)(F)F
O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 FC(F)(F)c1cccc(c1)[*:1] O=C(Nc1ccc(nc1)N1CCOCC1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] CN(CC(=O)N[*:1])C(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21
Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)c(C)c1 O=C(N1CCc2ccccc21)[*:1] Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2CCCC[C@@H]2[*:1])c(C)c1
O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCCC[C@@H]2CO1 O=[N+]([O-])[*:1] O=C(NCc1ccccc1[*:1])NC[C@H]1CN2CCCC[C@@H]2CO1
CC(C)Oc1ccccc1C(C)C CC(C)[*:1] CC(C)Oc1ccccc1[*:1]
CC(C)Oc1ccccc1C(C)C CC(C)O[*:1] CC(C)c1ccccc1[*:1]
CC(C)Oc1ccccc1C(C)C CC(C)[*:1] CC(C)c1ccccc1O[*:1]
Cc1cc(C)c(C)c(OCC(=O)Nc2nnc(C)s2)c1 Cc1nnc(s1)[*:1] Cc1cc(C)c(C)c(c1)OCC(=O)N[*:1]
C#Cc1cc(F)c(NC(=O)CN2CCOCC2)c(F)c1 C1CN(CCO1)[*:1] C#Cc1cc(F)c(NC(=O)C[*:1])c(F)c1
C[NH+](C)C(C)(C)C(=O)Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] C[NH+](C)C(C)(C)C(=O)Cc1ccc(cc1)O[*:1]
C[NH+](C)C(C)(C)C(=O)Cc1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] C[NH+](C)C(C)(C)C(=O)Cc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)Cn2c(=O)nc(N3CCC(C)CC3)c3ccccc32)cc1Cl CC1CCN(CC1)[*:1] Cc1ccc(cc1Cl)NC(=O)Cn1c(=O)nc(c2ccccc21)[*:1]
Cc1ccc(NC(=O)Cn2c(=O)nc(N3CCC(C)CC3)c3ccccc32)cc1Cl Cc1ccc(cc1Cl)[*:1] CC1CCN(CC1)c1nc(=O)n(CC(=O)N[*:1])c2ccccc12
COc1ccc(-c2c3sc(=O)[nH]c3nc3c2c(=O)[nH]n3C(C)C)c(OC)c1OC CC(C)[*:1] COc1ccc(c(OC)c1OC)-c1c2sc(=O)[nH]c2nc2c1c(=O)[nH]n2[*:1]
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)O)[C@@]4(C)CC(=O)[C@H]32)C1 C[C@H](O)[*:1] CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H]([C@@]4(C)CC(=O)[C@H]32)[*:1])C1
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)O)[C@@]4(C)CC(=O)[C@H]32)C1 CC(=O)O[*:1] C[C@H](O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](CC[C@]4(C)[C@@H]3C(=O)C[C@]12C)[*:1]
Cc1cccc([C@@H](C)[S@@](=O)CCCc2csc(C)n2)c1 Cc1nc(cs1)[*:1] Cc1cccc(c1)[C@@H](C)[S@@](=O)CCC[*:1]
CC(C)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3 CC(C)CNC(=O)[*:1] C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CC[*:1])O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4
CC(C)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3 CC(C)[*:1] C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NC[*:1])O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4
CC(C)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3 CC(C)CNC(=O)C[*:1] C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)C[*:1])O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4
CC(C)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3 CC(C)CNC(=O)CC[*:1] C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)[*:1])O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4
CC(C)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3 CC(C)C[*:1] C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[*:1])O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4
O=S(=O)(/N=C(\[O-])C[C@H]1CCCO1)c1ccc(Br)cc1 C1CO[C@H](C1)[*:1] O=S(=O)(/N=C(\[O-])C[*:1])c1ccc(Br)cc1
CCC[NH2+][C@@H](C)CC[C@@H]1CCCN(S(C)(=O)=O)C1 CCC[*:1] C[C@@H](CC[C@@H]1CCCN(C1)S(C)(=O)=O)[NH2+][*:1]
CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CC1C(C)(C)C1(C)C CC[C@@H](C)[*:1] C[C@H]([NH2+]CC1C(C)(C)C1(C)C)C(=O)N[*:1]
CC(C)(C)C(=O)Nc1cccc(C(=O)NCCc2ccc3c(c2)OCCO3)c1 CC(C)(C)C(=O)N[*:1] O=C(NCCc1ccc2OCCOc2c1)c1cccc(c1)[*:1]
CC(C)(C)C(=O)Nc1cccc(C(=O)NCCc2ccc3c(c2)OCCO3)c1 CC(C)(C)[*:1] O=C(NCCc1ccc2OCCOc2c1)c1cccc(c1)NC(=O)[*:1]
O=C(NCCCn1cc[nH+]c1)NCc1ccc[nH+]c1N1CCOCC1 C1CN(CCO1)[*:1] O=C(NCCCn1cc[nH+]c1)NCc1ccc[nH+]c1[*:1]
Cc1nc(CNc2ccc(Cl)cc2OCC(F)(F)F)cs1 Cc1nc(cs1)C[*:1] FC(F)(F)COc1cc(Cl)ccc1N[*:1]
Cc1nc(CNc2ccc(Cl)cc2OCC(F)(F)F)cs1 FC(F)(F)C[*:1] Cc1nc(cs1)CNc1ccc(Cl)cc1O[*:1]
Cc1nc(CNc2ccc(Cl)cc2OCC(F)(F)F)cs1 FC(F)(F)CO[*:1] Cc1nc(cs1)CNc1ccc(Cl)cc1[*:1]
Cc1nc(CNc2ccc(Cl)cc2OCC(F)(F)F)cs1 Cc1nc(cs1)[*:1] FC(F)(F)COc1cc(Cl)ccc1NC[*:1]
Cc1nc(CNc2ccc(Cl)cc2OCC(F)(F)F)cs1 FC(F)(F)[*:1] Cc1nc(cs1)CNc1ccc(Cl)cc1OC[*:1]
CC(C)OCCS(=O)(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O CC(C)O[*:1] O=S(=O)(CC[*:1])N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O
CC(C)OCCS(=O)(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O CC(C)OCC[*:1] O=S(=O)(N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)[*:1]
CC(C)OCCS(=O)(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O O[C@H]1CCC[C@H]1[*:1] CC(C)OCCS(=O)(=O)N1CCC[C@H]1[*:1]
CC(C)OCCS(=O)(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O CC(C)[*:1] O=S(=O)(CCO[*:1])N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O
CC(C)OCCS(=O)(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O CC(C)OC[*:1] O=S(=O)(C[*:1])N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O
O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)C1CC1)C(=O)N[*:1]
O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)NC[C@H]1CCCO1 C1CC1[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)[*:1])C(=O)NC[C@H]1CCCO1
O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NCC1CCN(CC1)S(=O)(=O)C1CC1)C(=O)NC[*:1]
CC(C)[C@]1(O)CC[C@@]2(C)C[C@@H]3O[C@@]3(C)C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]21 Oc1ccc(cc1)[*:1] CC(C)[C@]1(O)CC[C@@]2(C)C[C@@H]3O[C@@]3(C)C[C@H](OC(=O)[*:1])[C@@H]21
CC(C)[C@]1(O)CC[C@@]2(C)C[C@@H]3O[C@@]3(C)C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]21 CC(C)[*:1] C[C@]12C[C@H](OC(=O)c3ccc(O)cc3)[C@H]3[C@@](C)(CC[C@]3(O)[*:1])C[C@@H]1O2
CCNC(=O)c1cccc(NC(=O)c2cc(OC)c3c(c2)OCCO3)c1 CCNC(=O)[*:1] COc1cc(cc2OCCOc12)C(=O)Nc1cccc(c1)[*:1]
CCn1c(Cn2cccn2)nnc1C1CCN(c2cc(N)ncn2)CC1 c1cnn(c1)[*:1] CCn1c(C[*:1])nnc1C1CCN(CC1)c1cc(N)ncn1
CCn1c(Cn2cccn2)nnc1C1CCN(c2cc(N)ncn2)CC1 Nc1cc(ncn1)[*:1] CCn1c(Cn2cccn2)nnc1C1CCN(CC1)[*:1]
CCn1c(Cn2cccn2)nnc1C1CCN(c2cc(N)ncn2)CC1 c1cnn(c1)C[*:1] CCn1c(nnc1[*:1])C1CCN(CC1)c1cc(N)ncn1
C[C@H](CN(C)C(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1 C[C@H](c1ccccc1)[*:1] CN(C[*:1])C(=O)CNC(=O)c1cc2ccccc2[nH]1
C[C@H](CN(C)C(=O)CNC(=O)c1cc2ccccc2[nH]1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CN(C)C(=O)CNC(=O)c1cc2ccccc2[nH]1)[*:1]
O=C(Nc1nc(C2CC2)cs1)[C@H]1C[C@@H]2C=C[C@H]1C2 C1CC1[*:1] O=C(Nc1nc(cs1)[*:1])[C@H]1C[C@@H]2C=C[C@H]1C2
CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2Cc2ccco2)ccc1O CCO[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)c(c1)[*:1])c1ccc(Cl)cc1
CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2Cc2ccco2)ccc1O c1coc(c1)[*:1] CCOc1cc(ccc1O)[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1C[*:1]
CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2Cc2ccco2)ccc1O Clc1ccc(cc1)[*:1] CCOc1cc(ccc1O)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1Cc1ccco1
CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2Cc2ccco2)ccc1O c1coc(c1)C[*:1] CCOc1cc(ccc1O)[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1[*:1]
CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2Cc2ccco2)ccc1O CCOc1cc(ccc1O)[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1[*:1])c1ccc(Cl)cc1
CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2Cc2ccco2)ccc1O O=C(c1ccc(Cl)cc1)[*:1] CCOc1cc(ccc1O)[C@@H]1C(=C([O-])C(=O)N1Cc1ccco1)[*:1]
CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](CCCO)CC2)CC1 OCCC[*:1] CC[NH+]1CCN(CC1)C(=O)[C@H](C)N1CC[NH+](CC1)[*:1]
CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](CCCO)CC2)CC1 OCC[*:1] CC[NH+]1CCN(CC1)C(=O)[C@H](C)N1CC[NH+](CC1)C[*:1]
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cnc([C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cnc(s1)[*:1]
C=CCCCCCN(C)C(=O)c1cnc2c(C)cccn2c1=O C=CCCC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(C)CC[*:1]
C=CCCCCCN(C)C(=O)c1cnc2c(C)cccn2c1=O C=CCCCC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(C)C[*:1]
C=CCCCCCN(C)C(=O)c1cnc2c(C)cccn2c1=O C=CCC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(C)CCC[*:1]
C=CCCCCCN(C)C(=O)c1cnc2c(C)cccn2c1=O C=CC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(C)CCCC[*:1]
C=CCCCCCN(C)C(=O)c1cnc2c(C)cccn2c1=O C=CCCCCC[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)N(C)[*:1]
C[NH+](C)[C@H](CNC(=O)Nc1c(F)cccc1F)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[NH+](C)[C@H](CNC(=O)Nc1c(F)cccc1F)[*:1]
C[NH+](C)[C@H](CNC(=O)Nc1c(F)cccc1F)c1ccc(F)cc1 Fc1cccc(F)c1[*:1] C[NH+](C)[C@H](CNC(=O)N[*:1])c1ccc(F)cc1
COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3ccc(Cl)cc3)CSC2=C1C#N COc1ccc(Br)cc1[*:1] N#CC1=C2SCN(CN2C(=O)C[C@H]1[*:1])c1ccc(Cl)cc1
COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3ccc(Cl)cc3)CSC2=C1C#N Clc1ccc(cc1)[*:1] COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(CSC2=C1C#N)[*:1]
CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)NC3CCCC3)c2c1=O C1CCC(C1)[*:1] CCCCn1cnc2c(cn(CC(=O)N[*:1])c2c1=O)-c1ccccc1
CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)NC3CCCC3)c2c1=O c1ccc(cc1)[*:1] CCCCn1cnc2c(cn(CC(=O)NC3CCCC3)c2c1=O)[*:1]
CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)NC3CCCC3)c2c1=O O=C(C[*:1])NC1CCCC1 CCCCn1cnc2c(cn(c2c1=O)[*:1])-c1ccccc1
CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)NC3CCCC3)c2c1=O CCCC[*:1] O=C(Cn1cc(-c2ccccc2)c2ncn(c(=O)c21)[*:1])NC1CCCC1
CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)NC3CCCC3)c2c1=O O=C(NC1CCCC1)[*:1] CCCCn1cnc2c(cn(C[*:1])c2c1=O)-c1ccccc1
CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)NC3CCCC3)c2c1=O CCC[*:1] O=C(Cn1cc(-c2ccccc2)c2ncn(C[*:1])c(=O)c21)NC1CCCC1
COc1ccc(C2=C[C@H](C(=O)N/N=C/c3ccc(Br)cc3)N=N2)cc1 Brc1ccc(cc1)[*:1] COc1ccc(cc1)C1=C[C@@H](N=N1)C(=O)NN=C[*:1]
COc1ccc(C2=C[C@H](C(=O)N/N=C/c3ccc(Br)cc3)N=N2)cc1 COc1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(Br)cc1)[C@H]1C=C(N=N1)[*:1]
Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1C Cc1ccc(cc1C)[*:1] C[C@H](NC(=O)CCC(=O)[*:1])c1ccc2OCCOc2c1
O=C1CC[C@@H](C(=O)NCc2cccc(Oc3ccccc3)c2)N1 c1ccc(cc1)O[*:1] O=C1CC[C@H](N1)C(=O)NCc1cccc(c1)[*:1]
O=C1CC[C@@H](C(=O)NCc2cccc(Oc3ccccc3)c2)N1 c1ccc(cc1)[*:1] O=C1CC[C@H](N1)C(=O)NCc1cccc(c1)O[*:1]
O=C(c1ccc(-n2cccc2)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)c1ccc(nc1)[*:1] O=C(c1ccc(cc1)-n1cccc1)N1CCC(CC1)O[*:1]
O=C(c1ccc(-n2cccc2)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)-n1cccc1)N1CCC(CC1)Oc1ccc(cn1)[*:1]
O=C(c1ccc(-n2cccc2)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 c1ccn(c1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCC(CC1)Oc1ccc(cn1)C(F)(F)F
Cc1cccc(C(=O)Nc2ccc(-c3nnc(S[C@H](C(=O)[O-])C(C)C)n3C)cc2)c1 O=C([O-])[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)-c1nnc(S[C@H](C(C)C)[*:1])n1C
Cc1cccc(C(=O)Nc2ccc(-c3nnc(S[C@H](C(=O)[O-])C(C)C)n3C)cc2)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)Nc1ccc(cc1)-c1nnc(S[C@H](C(=O)[O-])[*:1])n1C
Cc1cccc(C(=O)Nc2ccc(-c3nnc(S[C@H](C(=O)[O-])C(C)C)n3C)cc2)c1 Cc1cccc(c1)C(=O)N[*:1] CC(C)[C@H](Sc1nnc(-c2ccc(cc2)[*:1])n1C)C(=O)[O-]
Cc1cccc(C(=O)Nc2ccc(-c3nnc(S[C@H](C(=O)[O-])C(C)C)n3C)cc2)c1 Cc1cccc(c1)[*:1] CC(C)[C@H](Sc1nnc(-c2ccc(cc2)NC(=O)[*:1])n1C)C(=O)[O-]
C#CCOC(=O)c1ccc(COc2ccccc2)cc1 C#CC[*:1] O=C(O[*:1])c1ccc(cc1)COc1ccccc1
C#CCOC(=O)c1ccc(COc2ccccc2)cc1 c1ccc(cc1)[*:1] C#CCOC(=O)c1ccc(cc1)CO[*:1]
C#CCOC(=O)c1ccc(COc2ccccc2)cc1 C#CCOC(=O)[*:1] c1ccc(cc1)OCc1ccc(cc1)[*:1]
O=C(c1nnn[n-]1)N(Cc1ccccc1Br)C1CC1 C1CC1[*:1] O=C(c1nnn[n-]1)N(Cc1ccccc1Br)[*:1]
Cc1cccc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)n1 C1CN(CCO1)CC[*:1] Cc1cccc(n1)-c1cnc(nc1-c1ccco1)NC[*:1]
Cc1cccc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)n1 Cc1cccc(n1)[*:1] c1coc(c1)-c1nc(ncc1[*:1])NCCCN1CCOCC1
Cc1cccc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)n1 C(CN1CCOCC1)C[*:1] Cc1cccc(n1)-c1cnc(nc1-c1ccco1)N[*:1]
Cc1cccc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)n1 C1CN(CCO1)[*:1] Cc1cccc(n1)-c1cnc(nc1-c1ccco1)NCCC[*:1]
Cc1cccc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)n1 c1coc(c1)[*:1] Cc1cccc(n1)-c1cnc(nc1[*:1])NCCCN1CCOCC1
Cc1cccc(-c2cnc(NCCCN3CCOCC3)nc2-c2ccco2)n1 C1CN(CCO1)C[*:1] Cc1cccc(n1)-c1cnc(nc1-c1ccco1)NCC[*:1]
O=C([O-])c1cn(-c2ccccc2)c2c1N=C(O)C[C@@H]2c1cccs1 O=C([O-])[*:1] OC1C[C@H](c2cccs2)c2c(N=1)c(cn2-c1ccccc1)[*:1]
O=C([O-])c1cn(-c2ccccc2)c2c1N=C(O)C[C@@H]2c1cccs1 c1csc(c1)[*:1] O=C([O-])c1cn(-c2ccccc2)c2c1N=C(O)C[C@H]2[*:1]
O=C([O-])c1cn(-c2ccccc2)c2c1N=C(O)C[C@@H]2c1cccs1 c1ccc(cc1)[*:1] O=C([O-])c1cn(c2c1N=C(O)C[C@@H]2c1cccs1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)NCc1cc(C#N)ccc1F C1C[C@@H](CO1)C[*:1] CCN(C(=O)NCc1cc(C#N)ccc1F)[*:1]
CCN(C[C@H]1CCOC1)C(=O)NCc1cc(C#N)ccc1F C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)NCc1cc(C#N)ccc1F
Cn1c(C(=O)NCC[NH+]2CCCCCC2)c(N2CCCC2=O)c2cc(F)ccc21 O=C1CCCN1[*:1] Cn1c(C(=O)NCC[NH+]2CCCCCC2)c(c2cc(F)ccc21)[*:1]
CC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl CC(C)[*:1] O=C(Nc1ccc(cc1Cl)[N+](=O)[O-])[*:1]
CC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] CC(C)C(=O)Nc1ccc(cc1Cl)[*:1]
CCOCCN(C)C(=O)/C(=C/c1ccccc1)n1nnnc1C c1ccc(cc1)[*:1] CCOCCN(C)C(=O)C(=C[*:1])n1nnnc1C
CCOCCN(C)C(=O)/C(=C/c1ccccc1)n1nnnc1C CCOCC[*:1] Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C)[*:1]
CCOCCN(C)C(=O)/C(=C/c1ccccc1)n1nnnc1C Cc1nnnn1[*:1] CCOCCN(C)C(=O)C(=Cc1ccccc1)[*:1]
CCOCCN(C)C(=O)/C(=C/c1ccccc1)n1nnnc1C CCOC[*:1] Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C)C[*:1]
CCOCCN(C)C(=O)/C(=C/c1ccccc1)n1nnnc1C CCO[*:1] Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C)CC[*:1]
CCc1cn(C[C@H](NC(=O)c2ccco2)C(=O)[O-])c(=O)[nH]c1=O c1coc(c1)[*:1] CCc1cn(C[C@H](NC(=O)[*:1])C(=O)[O-])c(=O)[nH]c1=O
CCc1cn(C[C@H](NC(=O)c2ccco2)C(=O)[O-])c(=O)[nH]c1=O O=C([O-])[*:1] CCc1cn(C[C@H](NC(=O)c2ccco2)[*:1])c(=O)[nH]c1=O
O=C(c1cnc(-c2ccoc2)s1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] O=C(c1cnc(s1)-c1ccoc1)N1CCC(CC1)[*:1]
O=C(c1cnc(-c2ccoc2)s1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(c1cnc(s1)-c1ccoc1)N1CCC(CC1)O[*:1]
O=C(c1cnc(-c2ccoc2)s1)N1CCC(OCc2ccccc2F)CC1 c1cc(co1)[*:1] O=C(c1cnc(s1)[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(c1cnc(-c2ccoc2)s1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1cnc(s1)-c1ccoc1)N1CCC(CC1)OC[*:1]
COc1ccc(O[C@@H](C)CNC(=O)c2cnc(-c3ccco3)s2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)O[C@@H](C)CNC(=O)c1cnc(s1)[*:1]
COc1ccc(O[C@@H](C)CNC(=O)c2cnc(-c3ccco3)s2)cc1 COc1ccc(cc1)[*:1] C[C@@H](CNC(=O)c1cnc(s1)-c1ccco1)O[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccccc1SCC(N)=O NC(=O)CS[*:1] COc1ccccc1/C=C/C(=O)Nc1ccccc1[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccccc1SCC(N)=O NC(=O)[*:1] COc1ccccc1/C=C/C(=O)Nc1ccccc1SC[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccccc1SCC(N)=O NC(=O)C[*:1] COc1ccccc1/C=C/C(=O)Nc1ccccc1S[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccccc1SCC(N)=O COc1ccccc1[*:1] NC(=O)CSc1ccccc1NC(=O)C=C[*:1]
CCCCn1c([C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 COc1ccc(cc1)C[*:1] CCCCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)[*:1]
CCCCn1c([C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 CCCC[*:1] COc1ccc(cc1)CN1C[C@@H](CC1=O)c1nc2ccccc2n1[*:1]
CCCCn1c([C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 COc1ccc(cc1)[*:1] CCCCn1c(nc2ccccc21)[C@@H]1CC(=O)N(C1)C[*:1]
CCCCn1c([C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21 CCC[*:1] COc1ccc(cc1)CN1C[C@@H](CC1=O)c1nc2ccccc2n1C[*:1]
O=C(Nc1ccc(-n2cncn2)cc1)c1cccc(Nc2ncccn2)c1 c1cnc(nc1)N[*:1] O=C(Nc1ccc(cc1)-n1cncn1)c1cccc(c1)[*:1]
O=C(Nc1ccc(-n2cncn2)cc1)c1cccc(Nc2ncccn2)c1 c1ncn(n1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1cccc(c1)Nc1ncccn1
O=C(Nc1ccc(-n2cncn2)cc1)c1cccc(Nc2ncccn2)c1 c1cnc(nc1)[*:1] O=C(Nc1ccc(cc1)-n1cncn1)c1cccc(c1)N[*:1]
CC(C)C(=O)Nc1ccc(OC(=O)c2cnc3ccccn3c2=O)cc1 CC(C)C(=O)N[*:1] O=C(Oc1ccc(cc1)[*:1])c1cnc2ccccn2c1=O
CC(C)C(=O)Nc1ccc(OC(=O)c2cnc3ccccn3c2=O)cc1 CC(C)[*:1] O=C(Oc1ccc(cc1)NC(=O)[*:1])c1cnc2ccccn2c1=O
NC(=S)[C@@H]1CN(c2ncc(Cl)cc2F)CCO1 NC(=S)[*:1] Fc1cc(Cl)cnc1N1CCO[C@@H](C1)[*:1]
Cc1ccnc(-c2ccc(NC(=O)N3CC[C@@H](C)[C@H](O)C3)cc2)n1 Cc1ccnc(n1)[*:1] C[C@@H]1CCN(C[C@H]1O)C(=O)Nc1ccc(cc1)[*:1]
O=C1CCCC[C@H]1[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] O=C1CCCC[C@H]1[C@@H]1CCCCN1C(=O)[*:1]
Cc1cccc(CC(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)c1 c1cc(ccn1)[*:1] Cc1cccc(c1)CC(=O)N1CCC[C@@]2(CCC(=O)N(C2)C[*:1])C1
Cc1cccc(CC(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)c1 c1cc(ccn1)C[*:1] Cc1cccc(c1)CC(=O)N1CCC[C@@]2(CCC(=O)N(C2)[*:1])C1
Cc1cccc(CC(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)c1 Cc1cccc(c1)[*:1] O=C(C[*:1])N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1
Cc1cccc(CC(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)c1 Cc1cccc(c1)C[*:1] O=C1CC[C@@]2(CCCN(C2)C(=O)[*:1])CN1Cc1ccncc1
Cc1ccc(NC(=O)N(C)C)c(C(=O)N(C)CC(=O)Nc2ccccc2)c1 O=C(Nc1ccccc1)[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N(C)C[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N(C)CC(=O)Nc2ccccc2)c1 CN(C)C(=O)N[*:1] Cc1ccc(c(c1)C(=O)N(C)CC(=O)Nc1ccccc1)[*:1]
Cc1ccc(NC(=O)N(C)C)c(C(=O)N(C)CC(=O)Nc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)N(C)C)c(c1)C(=O)N(C)CC(=O)N[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@H](C)CC(C)C)cc12 CC(C)C[C@@H](C)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@H](C)CC(C)C)cc12 CC(C)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@H](C)C[*:1]
Cc1n[nH]c2ncc(NC(=O)N[C@H](C)CC(C)C)cc12 CC(C)C[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)N[C@H](C)[*:1]
Cc1ccccc1N1O[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccccc1 Fc1ccc(cc1)[*:1] Cc1ccccc1N1O[C@H]2C(=O)N(C(=O)[C@@H]2[C@H]1c1ccccc1)[*:1]
Cc1ccccc1N1O[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1N1O[C@H]2C(=O)N(C(=O)[C@@H]2[C@@H]1[*:1])c1ccc(F)cc1
Cc1ccccc1N1O[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccccc1 Cc1ccccc1[*:1] O=C1[C@@H]2ON([C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] CC(C)[C@H](C#N)N1CCN(CC1)C(=O)[C@@H]1CSCN1C(=O)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1 CC(C)[C@H](C#N)[*:1] CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCN(CC1)[*:1]
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1 CC(C)[*:1] CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCN(CC1)[C@@H](C#N)[*:1]
C[C@@H](O[C@@H]1CCCC(=O)C1)C(F)(F)F FC(F)(F)[*:1] C[C@@H](O[C@@H]1CCCC(=O)C1)[*:1]
CC[NH+](CC(=O)Nc1cc(F)ccc1N)CC(C)C CC(C)[*:1] CC[NH+](CC(=O)Nc1cc(F)ccc1N)C[*:1]
CC[NH+](CC(=O)Nc1cc(F)ccc1N)CC(C)C CC(C)C[*:1] CC[NH+](CC(=O)Nc1cc(F)ccc1N)[*:1]
CC[NH+](C)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](C)CCNC(=O)c1cn(nc1-c1ccccc1)[*:1]
CC[NH+](C)CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 c1ccc(cc1)[*:1] CC[NH+](C)CCNC(=O)c1cn(nc1[*:1])-c1ccccc1
NC(=O)C[NH+](Cc1cc(-c2cccs2)on1)C1CCCC1 c1csc(c1)[*:1] NC(=O)C[NH+](Cc1cc(on1)[*:1])C1CCCC1
NC(=O)C[NH+](Cc1cc(-c2cccs2)on1)C1CCCC1 C1CCC(C1)[*:1] NC(=O)C[NH+](Cc1cc(on1)-c1cccs1)[*:1]
NC(=O)C[NH+](Cc1cc(-c2cccs2)on1)C1CCCC1 NC(=O)C[*:1] c1csc(c1)-c1cc(C[NH+](C2CCCC2)[*:1])no1
NC(=O)C[NH+](Cc1cc(-c2cccs2)on1)C1CCCC1 NC(=O)[*:1] c1csc(c1)-c1cc(C[NH+](C[*:1])C2CCCC2)no1
COc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(-n3cncn3)c2)cc1 c1ncn(n1)[*:1] COc1ccc(cc1)S(=O)(=O)N[C@@H](C)c1cccc(c1)[*:1]
COc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(-n3cncn3)c2)cc1 COc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])c1cccc(c1)-n1cncn1
COC(=O)[C@@H](C)CNC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 COC(=O)[*:1] Cc1cc(C)n(n1)-c1ccc(cc1F)NC(=O)NC[C@H](C)[*:1]
COC(=O)[C@@H](C)CNC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 Cc1cc(C)n(n1)[*:1] COC(=O)[C@@H](C)CNC(=O)Nc1ccc(c(F)c1)[*:1]
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2nc(C3CC3)oc2c1 C1CC1[*:1] C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2nc(oc2c1)[*:1]
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2nc(C3CC3)oc2c1 N#Cc1ccccc1[*:1] C[C@H](O[*:1])C(=O)Nc1ccc2nc(oc2c1)C1CC1
O=C(Nc1cc(Br)cc(C(F)(F)F)c1)N1CC[C@@H](O)C1 FC(F)(F)[*:1] O=C(Nc1cc(Br)cc(c1)[*:1])N1CC[C@@H](O)C1
CCc1ccccc1CNC(=O)NCCc1csc(N2CCCC2)n1 CCc1ccccc1[*:1] O=C(NCCc1csc(n1)N1CCCC1)NC[*:1]
CCc1ccccc1CNC(=O)NCCc1csc(N2CCCC2)n1 C1CCN(C1)[*:1] CCc1ccccc1CNC(=O)NCCc1csc(n1)[*:1]
Clc1ccccc1-c1nc(CSc2nnc(N3CCOCC3)s2)no1 Clc1ccccc1[*:1] C1CN(CCO1)c1nnc(SCc2noc(n2)[*:1])s1
Clc1ccccc1-c1nc(CSc2nnc(N3CCOCC3)s2)no1 C1CN(CCO1)[*:1] Clc1ccccc1-c1nc(CSc2nnc(s2)[*:1])no1
C[NH+](C)Cc1cccc(CNC(=O)c2n[nH]c(C3CC3)c2Cl)c1 C1CC1[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)c1n[nH]c(c1Cl)[*:1]
Cc1ccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(Cn1nc(ccc1=O)-c1cccc(c1)[N+](=O)[O-])N[*:1]
Cc1ccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c(C)c1 O=[N+]([O-])c1cccc(c1)[*:1] Cc1ccc(NC(=O)Cn2nc(ccc2=O)[*:1])c(C)c1
Cc1ccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c(C)c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)Cn2nc(ccc2=O)-c2cccc(c2)[*:1])c(C)c1
C[C@H](CNC(=O)[C@@H](C)Sc1nnc2n1CCCCC2)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CNC(=O)[C@@H](C)Sc1nnc2CCCCCn21)[*:1]
C[C@H](CNC(=O)[C@@H](C)Sc1nnc2n1CCCCC2)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@@H](Sc1nnc2CCCCCn21)C(=O)NC[*:1]
O=C(NNC(=O)c1ncccc1C(F)(F)F)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(NNC(=O)[*:1])c1ncccc1C(F)(F)F
O=C(NNC(=O)c1ncccc1C(F)(F)F)c1ccc(Cl)cc1 FC(F)(F)[*:1] O=C(NNC(=O)c1ncccc1[*:1])c1ccc(Cl)cc1
CCc1noc(CCCC(=O)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)n1 CCc1noc(n1)[*:1] O=C(CCC[*:1])N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
Cc1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)c1oc(nc1[*:1])-c1ccco1
Cc1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1nc(oc1N1CCN(CC1)C(=O)[*:1])-c1ccco1
Cc1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)c1oc(nc1S(=O)(=O)[*:1])-c1ccco1
Cc1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)C(=O)N1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccc(C)cc1)[*:1]
CCc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccccc4)CC3)[nH+]c3cccnc32)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)-n1c(CN2CCN(CC2)S(=O)(=O)[*:1])[nH+]c2cccnc21
CCc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccccc4)CC3)[nH+]c3cccnc32)cc1 CCc1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)N1CCN(CC1)Cc1[nH+]c2cccnc2n1[*:1]
CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C)cc1 CCO[*:1] CN1C(=O)c2ccccc2N[C@@H]1c1ccc(cc1)[*:1]
C[C@H](CC(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1)c1ccccc1 O=C(NC(=O)[*:1])NC1CC1 C[C@H](CC(=O)N1CCN(CC1)C[*:1])c1ccccc1
C[C@H](CC(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1)c1ccccc1 C[C@H](C[*:1])c1ccccc1 O=C(CN1CCN(CC1)C(=O)[*:1])NC(=O)NC1CC1
C[C@H](CC(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(CN1CCN(CC1)C(=O)C[*:1])NC(=O)NC1CC1
C[C@H](CC(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1)c1ccccc1 C1CC1[*:1] C[C@H](CC(=O)N1CCN(CC1)CC(=O)NC(=O)N[*:1])c1ccccc1
C[C@H](CC(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC(=O)N1CCN(CC1)CC(=O)NC(=O)NC1CC1)[*:1]
N#C[C@@H]1COCCN1C(=O)CC/C=C/c1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H]1COCCN1C(=O)CCC=C[*:1]
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(-n3cccn3)cc2)NC(=S)N1 CC(C)COC(=O)[*:1] CC1NC(=S)N[C@@H](C=1[*:1])c1ccc(cc1)-n1cccn1
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(-n3cccn3)cc2)NC(=S)N1 CC(C)C[*:1] CC1NC(=S)N[C@@H](C=1C(=O)O[*:1])c1ccc(cc1)-n1cccn1
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(-n3cccn3)cc2)NC(=S)N1 CC(C)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)OC[*:1])c1ccc(cc1)-n1cccn1
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(-n3cccn3)cc2)NC(=S)N1 c1cnn(c1)[*:1] CC1NC(=S)N[C@@H](C=1C(=O)OCC(C)C)c1ccc(cc1)[*:1]
COc1ccc(CNc2ccsc2)c2ccccc12 c1cc(cs1)[*:1] COc1ccc(CN[*:1])c2ccccc12
COc1ccc(CNc2ccsc2)c2ccccc12 c1cc(cs1)N[*:1] COc1ccc(C[*:1])c2ccccc12
CC(C)[NH+](C)Cc1cccc(CNC(=O)c2cnoc2-c2ccco2)c1 c1coc(c1)[*:1] CC(C)[NH+](C)Cc1cccc(c1)CNC(=O)c1cnoc1[*:1]
CC(C)[NH+](C)Cc1cccc(CNC(=O)c2cnoc2-c2ccco2)c1 CC(C)[*:1] C[NH+](Cc1cccc(c1)CNC(=O)c1cnoc1-c1ccco1)[*:1]
CC(C)C[NH2+]Cc1ccc(COC(C)(C)C)nc1 CC(C)(C)[*:1] CC(C)C[NH2+]Cc1ccc(CO[*:1])nc1
CC(C)C[NH2+]Cc1ccc(COC(C)(C)C)nc1 CC(C)(C)O[*:1] CC(C)C[NH2+]Cc1ccc(C[*:1])nc1
CC(C)C[NH2+]Cc1ccc(COC(C)(C)C)nc1 CC(C)[*:1] CC(C)(C)OCc1ccc(cn1)C[NH2+]C[*:1]
CC(C)C[NH2+]Cc1ccc(COC(C)(C)C)nc1 CC(C)C[*:1] CC(C)(C)OCc1ccc(cn1)C[NH2+][*:1]
CC(C)C[NH2+]Cc1ccc(COC(C)(C)C)nc1 CC(C)(C)OC[*:1] CC(C)C[NH2+]Cc1ccc(nc1)[*:1]
CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)n1 O=C(Nc1ccc(F)cc1)[*:1] CC(C)(C)c1n[nH]c(n1)SCC(=O)Nc1ccccc1[*:1]
CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CC(C)(C)c1n[nH]c(n1)SCC(=O)Nc1ccccc1C(=O)N[*:1]
CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)n1 CC(C)(C)[*:1] O=C(CSc1nc(n[nH]1)[*:1])Nc1ccccc1C(=O)Nc1ccc(F)cc1
O=S(=O)(c1ccccc1)C(Br)(Br)Br BrC(Br)(Br)[*:1] O=S(=O)(c1ccccc1)[*:1]
Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccccc3C)sc2c1 c1cncc(c1)[*:1] Cc1ccc2nc(sc2c1)N(C[*:1])C(=O)c1ccccc1C
Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccccc3C)sc2c1 c1cncc(c1)C[*:1] Cc1ccc2nc(sc2c1)N(C(=O)c1ccccc1C)[*:1]
Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccccc3C)sc2c1 Cc1ccccc1[*:1] Cc1ccc2nc(sc2c1)N(Cc1cccnc1)C(=O)[*:1]
O=C(NCCC1=CCCCC1)C1(n2cnnn2)CCCCC1 c1nnnn1[*:1] O=C(NCCC1=CCCCC1)C1(CCCCC1)[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccccc1OCC(N)=O C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)c1ccccc1OCC(N)=O
CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccccc1OCC(N)=O NC(=O)C[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccccc1O[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccccc1OCC(N)=O NC(=O)CO[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccccc1[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccccc1OCC(N)=O NC(=O)[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)c1ccccc1OC[*:1]
CC(=O)Nc1cccc2c1CCN(CC(=O)N1CCCC[C@H]1C)C2 CC(=O)N[*:1] C[C@@H]1CCCCN1C(=O)CN1CCc2c(cccc2[*:1])C1
COc1ccc(C2=NN(C(=O)C[NH+]3CCN(c4ccc(O)cc4)CC3)[C@H](c3ccco3)C2)cc1 Oc1ccc(cc1)[*:1] COc1ccc(cc1)C1C[C@@H](c2ccco2)N(N=1)C(=O)C[NH+]1CCN(CC1)[*:1]
COc1ccc(C2=NN(C(=O)C[NH+]3CCN(c4ccc(O)cc4)CC3)[C@H](c3ccco3)C2)cc1 COc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)c1ccc(O)cc1)N1N=C(C[C@H]1c1ccco1)[*:1]
COc1ccc(C2=NN(C(=O)C[NH+]3CCN(c4ccc(O)cc4)CC3)[C@H](c3ccco3)C2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)C1C[C@@H](N(N=1)C(=O)C[NH+]1CCN(CC1)c1ccc(O)cc1)[*:1]
CCCS(=O)(=O)N1CCC(NC(=O)CCCO)CC1 OCCC[*:1] CCCS(=O)(=O)N1CCC(CC1)NC(=O)[*:1]
CCCS(=O)(=O)N1CCC(NC(=O)CCCO)CC1 CCC[*:1] O=C(CCCO)NC1CCN(CC1)S(=O)(=O)[*:1]
CCCS(=O)(=O)N1CCC(NC(=O)CCCO)CC1 OCC[*:1] CCCS(=O)(=O)N1CCC(CC1)NC(=O)C[*:1]
COc1ccc2c(c1)OC[C@H]([NH2+][C@H](Cc1ccccn1)C1CC1)C2 c1ccc(C[*:1])nc1 COc1ccc2C[C@H](COc2c1)[NH2+][C@H](C1CC1)[*:1]
COc1ccc2c(c1)OC[C@H]([NH2+][C@H](Cc1ccccn1)C1CC1)C2 C1CC1[*:1] COc1ccc2C[C@H](COc2c1)[NH2+][C@H](Cc1ccccn1)[*:1]
COc1ccc2c(c1)OC[C@H]([NH2+][C@H](Cc1ccccn1)C1CC1)C2 c1ccc(nc1)[*:1] COc1ccc2C[C@H](COc2c1)[NH2+][C@H](C[*:1])C1CC1
Clc1ccc(-c2nnc(SCc3cn4ccccc4n3)n2C[C@H]2CCCO2)cc1 c1ccn2cc(nc2c1)[*:1] Clc1ccc(cc1)-c1nnc(SC[*:1])n1C[C@H]1CCCO1
Clc1ccc(-c2nnc(SCc3cn4ccccc4n3)n2C[C@H]2CCCO2)cc1 Clc1ccc(cc1)[*:1] c1ccn2cc(CSc3nnc(n3C[C@H]3CCCO3)[*:1])nc2c1
CCc1ccc(CCNC(=O)Nc2cccc(-c3nnco3)c2)cc1 CCc1ccc(cc1)[*:1] O=C(NCC[*:1])Nc1cccc(c1)-c1nnco1
CCc1ccc(CCNC(=O)Nc2cccc(-c3nnco3)c2)cc1 c1nnc(o1)[*:1] CCc1ccc(cc1)CCNC(=O)Nc1cccc(c1)[*:1]
Cc1cc(C)cc([C@H](C)NS(=O)(=O)CC2CCC2)c1 C1CC(C1)[*:1] Cc1cc(C)cc(c1)[C@H](C)NS(=O)(=O)C[*:1]
Cc1cc(C)cc([C@H](C)NS(=O)(=O)CC2CCC2)c1 C1CC(C1)C[*:1] Cc1cc(C)cc(c1)[C@H](C)NS(=O)(=O)[*:1]
C[C@H]1CCN(CC(=O)Nc2ccccc2SCC#N)c2ccccc21 N#CC[*:1] C[C@H]1CCN(CC(=O)Nc2ccccc2S[*:1])c2ccccc21
C[C@H]1CCN(CC(=O)Nc2ccccc2SCC#N)c2ccccc21 N#CCS[*:1] C[C@H]1CCN(CC(=O)Nc2ccccc2[*:1])c2ccccc21
Cc1c(C(=O)[O-])oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 c1ccc(cc1)[*:1] Cc1c(oc2CCC/C(=N\NC(=O)C(c3ccccc3)[*:1])c21)C(=O)[O-]
Cc1c(C(=O)[O-])oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 O=C([O-])[*:1] Cc1c(oc2CCC/C(=N\NC(=O)C(c3ccccc3)c3ccccc3)c21)[*:1]
Cc1cc(C[NH+]2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)no1 Fc1ccc(cc1)[*:1] Cc1cc(C[NH+]2CCN(CC2)C[C@@H](O)CO[*:1])no1
Cc1cc(C[NH+]2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)no1 Cc1cc(no1)[*:1] O[C@@H](COc1ccc(F)cc1)CN1CC[NH+](CC1)C[*:1]
Cc1cc(C[NH+]2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)no1 Cc1cc(C[*:1])no1 O[C@@H](COc1ccc(F)cc1)CN1CC[NH+](CC1)[*:1]
Cc1cc(C[NH+]2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)no1 Fc1ccc(cc1)O[*:1] Cc1cc(C[NH+]2CCN(CC2)C[C@@H](O)C[*:1])no1
CC(C)[NH2+][C@]1(CO)CCC[C@H]1CCSc1ccncn1 CC(C)[*:1] OC[C@]1(CCC[C@H]1CCSc1ccncn1)[NH2+][*:1]
CC(C)[NH2+][C@]1(CO)CCC[C@H]1CCSc1ccncn1 c1cc(ncn1)[*:1] CC(C)[NH2+][C@]1(CO)CCC[C@H]1CCS[*:1]
CCOc1ccc(C[NH+](C)C2CC[NH+](C)CC2)cc1 CCO[*:1] C[NH+]1CCC(CC1)[NH+](C)Cc1ccc(cc1)[*:1]
C[C@H](OC(=O)[C@@H]1C[C@H]1C)[C@@H](C)c1ccc2ccccc2n1 C[C@@H]1C[C@H]1[*:1] C[C@H](OC(=O)[*:1])[C@@H](C)c1ccc2ccccc2n1
O=[N+]([O-])/N=c1/nc(N2CCC[NH2+]CC2)cc(-c2ccccc2)[nH]1 c1ccc(cc1)[*:1] O=[N+]([O-])/N=c1/nc(cc([nH]1)[*:1])N1CCC[NH2+]CC1
C[C@H](O)[C@@H](C)SCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] C[C@H](O)[*:1] C[C@@H](SCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[*:1]
C[C@H](O)[C@@H](C)SCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@H](O)[C@@H](C)SCC(=O)Nc1cc(Cl)ccc1[*:1]
Cc1ccnc(NNC(=O)CCc2nc(-c3ccoc3)no2)c1 Cc1ccnc(c1)[*:1] O=C(CCc1nc(no1)-c1ccoc1)NN[*:1]
Cc1ccnc(NNC(=O)CCc2nc(-c3ccoc3)no2)c1 c1cc(co1)[*:1] Cc1ccnc(c1)NNC(=O)CCc1nc(no1)[*:1]
C#CCOc1ccc(Br)cc1CN1C[C@@H](C(N)=O)O[C@H](C)C1 C#CCO[*:1] C[C@@H]1CN(Cc2cc(Br)ccc2[*:1])C[C@H](O1)C(N)=O
C#CCOc1ccc(Br)cc1CN1C[C@@H](C(N)=O)O[C@H](C)C1 C#CC[*:1] C[C@@H]1CN(Cc2cc(Br)ccc2O[*:1])C[C@H](O1)C(N)=O
C#CCOc1ccc(Br)cc1CN1C[C@@H](C(N)=O)O[C@H](C)C1 NC(=O)[*:1] C#CCOc1ccc(Br)cc1CN1C[C@@H](O[C@H](C)C1)[*:1]
COc1ccc([C@H](NC(=O)c2n[nH]c(=O)[nH]2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](C1CCOCC1)[*:1])c1n[nH]c(=O)[nH]1
COc1ccc([C@H](NC(=O)c2n[nH]c(=O)[nH]2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1n[nH]c(=O)[nH]1)[*:1]
CCc1ccc(C(C)(C)NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)cc1 Cc1nn(C)c(C)c1[*:1] CCc1ccc(cc1)C(C)(C)NC(=O)N[C@@H](C)C[*:1]
CCc1ccc(C(C)(C)NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)cc1 CCc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC(C)(C)[*:1]
COc1cc(CNc2nnnn2C)cc(Cl)c1OCc1ccccc1 Cn1nnnc1NC[*:1] COc1cc(cc(Cl)c1OCc1ccccc1)[*:1]
COc1cc(CNc2nnnn2C)cc(Cl)c1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(cc(Cl)c1O[*:1])CNc1nnnn1C
COc1cc(CNc2nnnn2C)cc(Cl)c1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(cc(Cl)c1[*:1])CNc1nnnn1C
COc1cc(CNc2nnnn2C)cc(Cl)c1OCc1ccccc1 Cn1nnnc1N[*:1] COc1cc(cc(Cl)c1OCc1ccccc1)C[*:1]
COc1cc(CNc2nnnn2C)cc(Cl)c1OCc1ccccc1 Cn1nnnc1[*:1] COc1cc(cc(Cl)c1OCc1ccccc1)CN[*:1]
COc1cc(CNc2nnnn2C)cc(Cl)c1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(cc(Cl)c1OC[*:1])CNc1nnnn1C
CC(C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 CC(C)[*:1] O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(cc1)[N+](=O)[O-])[C@]1(N[C@@H]2[*:1])C(=O)Nc2ccccc21
CC(C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 O=[N+]([O-])[*:1] CC(C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(=O)[C@@H]12)c1ccc(cc1)[*:1]
CC(C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
C[C@@H](C[NH2+][C@H](C)c1cnn(C)c1)Sc1ccc(Br)cc1 Cn1cc(cn1)[*:1] C[C@@H](C[NH2+][C@H](C)[*:1])Sc1ccc(Br)cc1
COCC(=O)N1CCC(Oc2ccc(C)cc2)CC1 COC[*:1] Cc1ccc(cc1)OC1CCN(CC1)C(=O)[*:1]
Cc1csc([C@@H](C)NC(=O)c2cccc(OCC(F)F)n2)n1 Cc1csc(n1)[*:1] C[C@@H](NC(=O)c1cccc(n1)OCC(F)F)[*:1]
Cc1csc([C@@H](C)NC(=O)c2cccc(OCC(F)F)n2)n1 FC(F)CO[*:1] Cc1csc(n1)[C@@H](C)NC(=O)c1cccc(n1)[*:1]
Cc1csc([C@@H](C)NC(=O)c2cccc(OCC(F)F)n2)n1 FC(F)[*:1] Cc1csc(n1)[C@@H](C)NC(=O)c1cccc(n1)OC[*:1]
Cc1csc([C@@H](C)NC(=O)c2cccc(OCC(F)F)n2)n1 FC(F)C[*:1] Cc1csc(n1)[C@@H](C)NC(=O)c1cccc(n1)O[*:1]
O=C(NCCc1ccccc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F c1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H]1C[C@H]1c1ccccc1OC(F)(F)F
O=C(NCCc1ccccc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F c1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H]1C[C@H]1c1ccccc1OC(F)(F)F
O=C(NCCc1ccccc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F c1ccc(cc1)CC[*:1] O=C(N[*:1])[C@H]1C[C@H]1c1ccccc1OC(F)(F)F
O=C(NCCc1ccccc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)[*:1] O=C(NCCc1ccccc1)[C@H]1C[C@H]1c1ccccc1O[*:1]
O=C(NCCc1ccccc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] O=C(NCCc1ccccc1)[C@H]1C[C@H]1c1ccccc1[*:1]
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CC[C@H]([N+]2=CCCC2)C1 Fc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1CN1CC[C@@H](C1)[N+]1=CCCC1)[*:1]
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CC[C@H]([N+]2=CCCC2)C1 Fc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1CN1CC[C@@H](C1)[N+]1=CCCC1
O=C(CN(Cc1ccccc1Cl)C(=O)[C@H]1CSC(=O)C1)NC1CCCCC1 Clc1ccccc1C[*:1] O=C(CN(C(=O)[C@H]1CSC(=O)C1)[*:1])NC1CCCCC1
O=C(CN(Cc1ccccc1Cl)C(=O)[C@H]1CSC(=O)C1)NC1CCCCC1 Clc1ccccc1[*:1] O=C(CN(C[*:1])C(=O)[C@H]1CSC(=O)C1)NC1CCCCC1
O=C(CN(Cc1ccccc1Cl)C(=O)[C@H]1CSC(=O)C1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CN(Cc1ccccc1Cl)C(=O)[C@H]1CSC(=O)C1)N[*:1]
O=C(CN(Cc1ccccc1Cl)C(=O)[C@H]1CSC(=O)C1)NC1CCCCC1 O=C(NC1CCCCC1)[*:1] O=C1C[C@H](CS1)C(=O)N(Cc1ccccc1Cl)C[*:1]
N/C(=N\OCCCCC(F)(F)F)C(F)(F)F FC(F)(F)C[*:1] N/C(=N\OCCC[*:1])C(F)(F)F
N/C(=N\OCCCCC(F)(F)F)C(F)(F)F FC(F)(F)[*:1] N/C(=N\OCCCCC(F)(F)F)[*:1]
N/C(=N\OCCCCC(F)(F)F)C(F)(F)F FC(F)(F)[*:1] N/C(=N\OCCCC[*:1])C(F)(F)F
COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccncc1 c1cc(ccn1)[*:1] COc1ccccc1N1C(=O)c2ccccc2N[C@H]1[*:1]
COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccncc1 COc1ccccc1[*:1] O=C1c2ccccc2N[C@H](c2ccncc2)N1[*:1]
COc1ccc(NC(=O)CN2CCc3nc(NC(C)=O)sc3C2)cc1 CC(=O)N[*:1] COc1ccc(cc1)NC(=O)CN1CCc2nc(sc2C1)[*:1]
COc1ccc(NC(=O)CN2CCc3nc(NC(C)=O)sc3C2)cc1 COc1ccc(cc1)[*:1] CC(=O)Nc1nc2CCN(CC(=O)N[*:1])Cc2s1
CC(C)Cc1ncc2c(n1)CN(C(=O)c1cccc(-n3cnnc3)c1)C2 CC(C)[*:1] O=C(c1cccc(c1)-n1cnnc1)N1Cc2cnc(C[*:1])nc2C1
CC(C)Cc1ncc2c(n1)CN(C(=O)c1cccc(-n3cnnc3)c1)C2 CC(C)C[*:1] O=C(c1cccc(c1)-n1cnnc1)N1Cc2cnc(nc2C1)[*:1]
CC(C)Cc1ncc2c(n1)CN(C(=O)c1cccc(-n3cnnc3)c1)C2 c1nncn1[*:1] CC(C)Cc1ncc2CN(Cc2n1)C(=O)c1cccc(c1)[*:1]
Nc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)[O-] O=S(=O)([O-])[*:1] Nc1cc2[nH]c(=O)[nH]c2cc1[*:1]
Cc1ccnc(NNC(=O)Cc2ccc(NC(=O)CC(C)(C)C)cc2)c1 Cc1ccnc(c1)[*:1] CC(C)(C)CC(=O)Nc1ccc(cc1)CC(=O)NN[*:1]
Cc1ccnc(NNC(=O)Cc2ccc(NC(=O)CC(C)(C)C)cc2)c1 CC(C)(C)C[*:1] Cc1ccnc(c1)NNC(=O)Cc1ccc(cc1)NC(=O)[*:1]
Cc1ccnc(NNC(=O)Cc2ccc(NC(=O)CC(C)(C)C)cc2)c1 CC(C)(C)CC(=O)N[*:1] Cc1ccnc(c1)NNC(=O)Cc1ccc(cc1)[*:1]
Cc1ccnc(NNC(=O)Cc2ccc(NC(=O)CC(C)(C)C)cc2)c1 CC(C)(C)[*:1] Cc1ccnc(c1)NNC(=O)Cc1ccc(cc1)NC(=O)C[*:1]
COc1c(CN2CCN(CC(=O)NC3CCCCC3)CC2)c(C)nn1C C1CCC(CC1)[*:1] COc1c(CN2CCN(CC2)CC(=O)N[*:1])c(C)nn1C
COCCN(CC(=O)[O-])C(=O)N(C)Cc1ccoc1 c1cc(co1)[*:1] COCCN(CC(=O)[O-])C(=O)N(C)C[*:1]
COCCN(CC(=O)[O-])C(=O)N(C)Cc1ccoc1 c1cc(co1)C[*:1] COCCN(CC(=O)[O-])C(=O)N(C)[*:1]
COCCN(CC(=O)[O-])C(=O)N(C)Cc1ccoc1 O=C([O-])[*:1] COCCN(C[*:1])C(=O)N(C)Cc1ccoc1
COCCN(CC(=O)[O-])C(=O)N(C)Cc1ccoc1 O=C([O-])C[*:1] COCCN(C(=O)N(C)Cc1ccoc1)[*:1]
COCCN(CC(=O)[O-])C(=O)N(C)Cc1ccoc1 COCC[*:1] CN(Cc1ccoc1)C(=O)N(CC(=O)[O-])[*:1]
COCCN(CC(=O)[O-])C(=O)N(C)Cc1ccoc1 COC[*:1] CN(Cc1ccoc1)C(=O)N(CC(=O)[O-])C[*:1]
COc1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F FC(F)(F)[*:1] COc1ccc(cc1F)C[NH2+][C@H]1CCC[C@@H](C1)[*:1]
COC[C@H](NC(=O)[C@@H]1COCCO1)c1ccc(F)c(F)c1 C1CO[C@@H](CO1)[*:1] COC[C@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC[C@H](NC(=O)[C@@H]1COCCO1)c1ccc(F)c(F)c1 COC[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)[*:1])[C@@H]1COCCO1
Cn1nc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1-c1ccncc1 c1cc(ccn1)[*:1] Cn1nc(cc1[*:1])CNS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Cn1nc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1-c1ccncc1 O=[N+]([O-])[*:1] Cn1nc(cc1-c1ccncc1)CNS(=O)(=O)c1cccc(c1)[*:1]
CC(C)NC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 CC(C)[*:1] O=C1CCCN1CC[C@H]1CN(C(=O)N[*:1])c2ccccc21
CC(C)NC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 O=C1CCCN1[*:1] CC(C)NC(=O)N1C[C@H](CC[*:1])c2ccccc21
CC(C)NC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 O=C1CCCN1C[*:1] CC(C)NC(=O)N1C[C@H](C[*:1])c2ccccc21
CCN(CCNC(=O)N[C@@H]1CCCC[C@@H]1O)c1cccc(C)c1 Cc1cccc(c1)[*:1] CCN(CCNC(=O)N[C@@H]1CCCC[C@@H]1O)[*:1]
COc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)c(OC)c1 O=C([O-])[*:1] COc1ccc(/C=C/c2cc(c3ccccc3n2)[*:1])c(c1)OC
CC[C@@H](C)n1c([O-])c(C(=O)COc2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O Clc1ccc(O[*:1])c(Cl)c1 CC[C@@H](C)n1c([O-])c(C(=O)C[*:1])c(C)c(C#N)c1=O
CC[C@@H](C)n1c([O-])c(C(=O)COc2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O Clc1ccc(c(Cl)c1)[*:1] CC[C@@H](C)n1c([O-])c(C(=O)CO[*:1])c(C)c(C#N)c1=O
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@H]([NH3+])CCS(C)(=O)=O O=C([O-])[*:1] C[C@@H]1[C@H](CCN1C(=O)[C@H]([NH3+])CCS(C)(=O)=O)[*:1]
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@H]([NH3+])CCS(C)(=O)=O CS(=O)(=O)C[*:1] C[C@@H]1[C@@H](CCN1C(=O)[C@H]([NH3+])C[*:1])C(=O)[O-]
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@H]([NH3+])CCS(C)(=O)=O CS(=O)(=O)[*:1] C[C@@H]1[C@@H](CCN1C(=O)[C@H]([NH3+])CC[*:1])C(=O)[O-]
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@H]([NH3+])CCS(C)(=O)=O CS(=O)(=O)CC[*:1] C[C@@H]1[C@@H](CCN1C(=O)[C@H]([NH3+])[*:1])C(=O)[O-]
Cc1ccc(-n2ncc3c2C[C@@H](c2ccco2)CC3=O)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](Cc2c1cnn2[*:1])c1ccco1
Cc1ccc(-n2ncc3c2C[C@@H](c2ccco2)CC3=O)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)-n1ncc2C(=O)C[C@H](Cc21)[*:1]
Cc1ccc(Cn2cc(Br)c(NC(=O)CCc3ccccc3)n2)cc1 Cc1ccc(cc1)[*:1] O=C(CCc1ccccc1)Nc1nn(cc1Br)C[*:1]
Cc1ccc(Cn2cc(Br)c(NC(=O)CCc3ccccc3)n2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)Cn1cc(Br)c(n1)NC(=O)C[*:1]
Cc1ccc(Cn2cc(Br)c(NC(=O)CCc3ccccc3)n2)cc1 c1ccc(cc1)CC[*:1] Cc1ccc(cc1)Cn1cc(Br)c(n1)NC(=O)[*:1]
Cc1ccc(Cn2cc(Br)c(NC(=O)CCc3ccccc3)n2)cc1 Cc1ccc(cc1)C[*:1] O=C(CCc1ccccc1)Nc1nn(cc1Br)[*:1]
Cc1ccc(Cn2cc(Br)c(NC(=O)CCc3ccccc3)n2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)Cn1cc(Br)c(n1)NC(=O)CC[*:1]
O=C(Cn1cnnn1)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 FC(F)(F)[*:1] O=C(Cn1cnnn1)NC1(CCCCC1)c1cccc(c1)[*:1]
O=C(Cn1cnnn1)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 c1nnnn1C[*:1] O=C(NC1(CCCCC1)c1cccc(c1)C(F)(F)F)[*:1]
O=C(Cn1cnnn1)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 c1nnnn1[*:1] O=C(C[*:1])NC1(CCCCC1)c1cccc(c1)C(F)(F)F
CC[C@@H](C)N1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 CC[C@@H](C)[*:1] O=C(C[C@H]1CSCC[NH2+]1)N1CCN(CC1)[*:1]
COc1ccc(CNC(=O)Nc2nnc(-c3ccsc3)o2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)CNC(=O)Nc1nnc(o1)[*:1]
Cc1ccc([C@@H]([NH2+][C@H]2CCN(C(=O)C(C)C)C2)C2CC2)cc1 CC(C)[*:1] Cc1ccc(cc1)[C@@H]([NH2+][C@H]1CCN(C1)C(=O)[*:1])C1CC1
Cc1ccc([C@@H]([NH2+][C@H]2CCN(C(=O)C(C)C)C2)C2CC2)cc1 Cc1ccc(cc1)[*:1] CC(C)C(=O)N1CC[C@@H](C1)[NH2+][C@@H](C1CC1)[*:1]
Cc1ccc([C@@H]([NH2+][C@H]2CCN(C(=O)C(C)C)C2)C2CC2)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@@H]([NH2+][C@H]1CCN(C1)C(=O)C(C)C)[*:1]
Cc1nn(C)c(Cn2ccc([C@@H](O)C3CC3)c2)c1Cl C1CC1[*:1] Cc1nn(C)c(Cn2ccc(c2)[C@@H](O)[*:1])c1Cl
Cc1nn(C)c(Cn2ccc([C@@H](O)C3CC3)c2)c1Cl O[C@@H](C1CC1)[*:1] Cc1nn(C)c(Cn2ccc(c2)[*:1])c1Cl
O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3ccc(F)cc3F)[C@H]2C1 Clc1ccc(C[*:1])c(Cl)c1 O=S1(=O)C[C@@H]2N=C(S[*:1])N(c3ccc(F)cc3F)[C@H]2C1
O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3ccc(F)cc3F)[C@H]2C1 Clc1ccc(c(Cl)c1)[*:1] O=S1(=O)C[C@@H]2N=C(SC[*:1])N(c3ccc(F)cc3F)[C@H]2C1
O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3ccc(F)cc3F)[C@H]2C1 Fc1ccc(c(F)c1)[*:1] O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3Cl)N([C@H]2C1)[*:1]
NS(=O)(=O)c1cc(N2CCCCCCC2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] NS(=O)(=O)c1cc(cc(c1)[*:1])N1CCCCCCC1
NS(=O)(=O)c1cc(N2CCCCCCC2)cc([N+](=O)[O-])c1 NS(=O)(=O)[*:1] O=[N+]([O-])c1cc(cc(c1)[*:1])N1CCCCCCC1
O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC[C@@H]1c1ccc[nH]1 c1c[nH]c(c1)[*:1] O=C(c1ccc(cc1)Nc1cc[nH+]cc1)N1CCC[C@H]1[*:1]
CC/[NH+]=C(\N)N1CCC[C@@H](C(=O)OCC)C1 CCOC(=O)[*:1] CC/[NH+]=C(\N)N1CCC[C@@H](C1)[*:1]
CCCn1nc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)ccc1=O CCC[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1NC(=O)c1ccc(=O)n(n1)[*:1]
COc1ccc(SCCCC(=O)Nc2nc3c(F)cccc3s2)cc1 COc1ccc(cc1)[*:1] O=C(CCCS[*:1])Nc1nc2c(F)cccc2s1
C#Cc1cccc(N(C(=O)CSCc2ccccn2)C(C)C)c1 c1ccc(nc1)[*:1] C#Cc1cccc(c1)N(C(=O)CSC[*:1])C(C)C
C#Cc1cccc(N(C(=O)CSCc2ccccn2)C(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(C(=O)CSCc1ccccn1)[*:1]
C#Cc1cccc(N(C(=O)CSCc2ccccn2)C(C)C)c1 c1ccc(C[*:1])nc1 C#Cc1cccc(c1)N(C(=O)CS[*:1])C(C)C
CC[C@@H](NC(=O)NCc1ncn(C)n1)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[C@@H](NC(=O)NCc1ncn(C)n1)[*:1]
CC[C@@H](NC(=O)NCc1ncn(C)n1)[C@@H]1CCCO1 Cn1cnc(n1)[*:1] CC[C@@H](NC(=O)NC[*:1])[C@@H]1CCCO1
COC(=O)CCCC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 COC(=O)[*:1] Oc1cc(cc2C[NH+](CCCC[*:1])CCOc12)-c1cccc(Cl)c1
COC(=O)CCCC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 COC(=O)C[*:1] Oc1cc(cc2C[NH+](CCC[*:1])CCOc12)-c1cccc(Cl)c1
COC(=O)CCCC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 COC(=O)CC[*:1] Oc1cc(cc2C[NH+](CCOc12)CC[*:1])-c1cccc(Cl)c1
COC(=O)CCCC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 COC(=O)CCC[*:1] Oc1cc(cc2C[NH+](CCOc12)C[*:1])-c1cccc(Cl)c1
COC(=O)CCCC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 Clc1cccc(c1)[*:1] COC(=O)CCCC[NH+]1CCOc2c(O)cc(cc2C1)[*:1]
COC(=O)CCCC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 COC(=O)CCCC[*:1] Oc1cc(cc2C[NH+](CCOc12)[*:1])-c1cccc(Cl)c1
O=C(c1cc(F)ccc1-n1cnnn1)N1CC[C@]2(O)CCCC[C@@H]2C1 c1nnnn1[*:1] O=C(c1cc(F)ccc1[*:1])N1CC[C@]2(O)CCCC[C@@H]2C1
CCC(=O)N1CCC[NH+](CC(=O)NCc2sccc2C)CC1 Cc1ccsc1C[*:1] CCC(=O)N1CCC[NH+](CC1)CC(=O)N[*:1]
CCC(=O)N1CCC[NH+](CC(=O)NCc2sccc2C)CC1 Cc1ccsc1[*:1] CCC(=O)N1CCC[NH+](CC1)CC(=O)NC[*:1]
O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[NH2+]CC1 FC(F)(F)[*:1] O=S(=O)(c1ccc(Cl)cc1[*:1])N1CCC[NH2+]CC1
O=C(COc1ccccc1F)NC[C@@H]1COc2ccccc2C1 Fc1ccccc1[*:1] O=C(CO[*:1])NC[C@@H]1COc2ccccc2C1
CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc4c(c3)OCO4)sc2c1 CCO[*:1] C[NH+](C)CCN(C(=O)c1ccc2OCOc2c1)c1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc4c(c3)OCO4)sc2c1 c1cc2OCOc2cc1[*:1] CCOc1ccc2nc(sc2c1)N(CC[NH+](C)C)C(=O)[*:1]
CCCn1nccc1[C@@]1(CC(C)C)CCC[NH2+]1 CCC[*:1] CC(C)C[C@@]1(CCC[NH2+]1)c1ccnn1[*:1]
CCCn1nccc1[C@@]1(CC(C)C)CCC[NH2+]1 CC(C)[*:1] CCCn1nccc1[C@]1(CCC[NH2+]1)C[*:1]
CCCn1nccc1[C@@]1(CC(C)C)CCC[NH2+]1 CC(C)C[*:1] CCCn1nccc1[C@]1(CCC[NH2+]1)[*:1]
CC[C@H](Br)[C@@H](C)c1ncc([N+](=O)[O-])cc1Br CC[C@H](Br)[*:1] C[C@@H](c1ncc(cc1Br)[N+](=O)[O-])[*:1]
CC[C@H](Br)[C@@H](C)c1ncc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] CC[C@H](Br)[C@@H](C)c1ncc(cc1Br)[*:1]
CCOc1cccc(C(=N)NC(=O)c2cncn2-c2ccccc2)c1 CCO[*:1] N=C(NC(=O)c1cncn1-c1ccccc1)c1cccc(c1)[*:1]
CCOc1cccc(C(=N)NC(=O)c2cncn2-c2ccccc2)c1 c1ccc(cc1)[*:1] CCOc1cccc(c1)C(=N)NC(=O)c1cncn1[*:1]
COc1cc(NC(=O)C[NH+](C)C2CC2)c(OC)cc1Cl C1CC1[*:1] COc1cc(NC(=O)C[NH+](C)[*:1])c(cc1Cl)OC
Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1 O=C(Nc1ccc(F)cc1)[*:1] Cc1cc(C)n(C[*:1])c(=O)c1S(=O)(=O)c1ccc(Br)cc1
Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1 Fc1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)N[*:1])c(=O)c1S(=O)(=O)c1ccc(Br)cc1
Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1S(=O)(=O)[*:1]
Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1 O=S(=O)(c1ccc(Br)cc1)[*:1] Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1[*:1]
CCCc1c(C(=O)OCC)cnn1-c1ccc([N+](=O)[O-])cc1 CCOC(=O)[*:1] CCCc1c(cnn1-c1ccc(cc1)[N+](=O)[O-])[*:1]
CCCc1c(C(=O)OCC)cnn1-c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCCc1c(cnn1-c1ccc(cc1)[*:1])C(=O)OCC
CCCc1c(C(=O)OCC)cnn1-c1ccc([N+](=O)[O-])cc1 CCC[*:1] CCOC(=O)c1cnn(-c2ccc(cc2)[N+](=O)[O-])c1[*:1]
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C[C@@H]1CCCO1)C3 COC(=O)C[*:1] Cc1c(c(=O)oc2c(C)c3OCN(Cc3cc12)C[C@@H]1CCCO1)[*:1]
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C[C@@H]1CCCO1)C3 COC(=O)[*:1] Cc1c(C[*:1])c(=O)oc2c(C)c3OCN(Cc3cc12)C[C@@H]1CCCO1
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C[C@@H]1CCCO1)C3 C1CO[C@@H](C1)C[*:1] COC(=O)Cc1c(C)c2cc3CN(COc3c(C)c2oc1=O)[*:1]
CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 O=S1(=O)CC[C@@H](C1)[*:1] CC[NH+]1CCN(CC1)c1ccccc1C[NH2+]C[*:1]
Cc1ccc2c(c1)C(=O)N[C@@]1(CCC(=O)N(CC(=O)NC3CCCCCC3)CC1)O2 O=C(NC1CCCCCC1)[*:1] Cc1ccc2O[C@]3(CCC(=O)N(CC3)C[*:1])NC(=O)c2c1
Cc1ccc2c(c1)C(=O)N[C@@]1(CCC(=O)N(CC(=O)NC3CCCCCC3)CC1)O2 C1CCCC(CC1)[*:1] Cc1ccc2O[C@]3(CCC(=O)N(CC3)CC(=O)N[*:1])NC(=O)c2c1
COc1ccc2nc(C(=O)N[C@@H](C)c3nc(C)cs3)ccc2c1 Cc1csc(n1)[*:1] COc1ccc2nc(ccc2c1)C(=O)N[C@@H](C)[*:1]
[NH3+]CCSCC12CC3CC(CC(C3)C1)C2 [NH3+]CCSC[*:1] C1C2CC3CC1CC(C2)(C3)[*:1]
CC(C)[C@H]1C(=O)NCCN1C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 CC(C)[*:1] O=C1NCCN(C(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)[C@H]1[*:1]
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCc1nc2ccccc2[nH]1 Clc1ccc(cc1)[*:1] Cc1nn(cc1C(=O)NCc1nc2ccccc2[nH]1)[*:1]
Cc1ccoc1[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C Cc1ccoc1[*:1] Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[*:1]
CCc1ccc(-c2ccc(C(=O)NCc3n[nH]c(=S)n3C3CC3)o2)cc1 CCc1ccc(cc1)[*:1] O=C(NCc1n[nH]c(=S)n1C1CC1)c1ccc(o1)[*:1]
CCc1ccc(-c2ccc(C(=O)NCc3n[nH]c(=S)n3C3CC3)o2)cc1 C1CC1[*:1] CCc1ccc(cc1)-c1ccc(o1)C(=O)NCc1n[nH]c(=S)n1[*:1]
O=C(N[C@@H]1CCSc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 c1cc2OCOc2cc1[*:1] O=C(N[C@@H]1CCSc2ccccc21)c1cccc(c1)S(=O)(=O)N[*:1]
Cc1cc(C)c(NC(=O)CNC(=O)CSc2nc3ccccc3n2C)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cn1c(nc2ccccc21)SCC(=O)NCC(=O)N[*:1]
COc1cc(C)ccc1NC(=O)C(=O)NCC(C)(C)CC(C)C CC(C)C[*:1] COc1cc(C)ccc1NC(=O)C(=O)NCC(C)(C)[*:1]
COc1cc(C)ccc1NC(=O)C(=O)NCC(C)(C)CC(C)C CC(C)CC(C)(C)[*:1] COc1cc(C)ccc1NC(=O)C(=O)NC[*:1]
COc1cc(C)ccc1NC(=O)C(=O)NCC(C)(C)CC(C)C CC(C)[*:1] COc1cc(C)ccc1NC(=O)C(=O)NCC(C)(C)C[*:1]
CC(C)OCCOCC1(CS)CC1 CC(C)[*:1] SCC1(CC1)COCCO[*:1]
CC(C)OCCOCC1(CS)CC1 CC(C)O[*:1] SCC1(CC1)COCC[*:1]
CCSc1nnc(SCC(=O)Nc2ccccc2)s1 CCS[*:1] O=C(CSc1nnc(s1)[*:1])Nc1ccccc1
CCSc1nnc(SCC(=O)Nc2ccccc2)s1 c1ccc(cc1)[*:1] CCSc1nnc(SCC(=O)N[*:1])s1
Cc1ccc([C@H](C)[NH2+]CCN(C)C(C)C)cc1F CC(C)N(C)C[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+]C[*:1]
Cc1ccc([C@H](C)[NH2+]CCN(C)C(C)C)cc1F CC(C)N(C)[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+]CC[*:1]
Cc1ccc([C@H](C)[NH2+]CCN(C)C(C)C)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@H](C)[NH2+]CCN(C)[*:1]
CCc1ncc(C[NH+](C)Cc2ccc(C(=O)N(C)C)[nH]2)s1 CCc1ncc(s1)[*:1] CN(C)C(=O)c1ccc(C[NH+](C)C[*:1])[nH]1
CCc1ncc(C[NH+](C)Cc2ccc(C(=O)N(C)C)[nH]2)s1 CN(C)C(=O)[*:1] CCc1ncc(C[NH+](C)Cc2ccc([nH]2)[*:1])s1
O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCOCC1 O=S(=O)(NC1CC1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCOCC1
O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCOCC1 C1CC1[*:1] O=C(c1ccc(cc1)S(=O)(=O)N[*:1])N1CCOCC1
Cc1cc(C)n(-c2ccccc2NC(=O)[C@@H]2CCO[C@H]2C)n1 Cc1cc(C)n(n1)[*:1] C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1[*:1]
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(C(C)=O)cc1 Clc1ccc(cc1)[*:1] COC(=O)C1=C(C)N(C(=O)C[C@@H]1C(=O)Nc1ccc(cc1)C(C)=O)[*:1]
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(C(C)=O)cc1 CC(=O)c1ccc(cc1)[*:1] COC(=O)C1=C(C)N(C(=O)C[C@@H]1C(=O)N[*:1])c1ccc(Cl)cc1
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(C(C)=O)cc1 COC(=O)[*:1] CC(=O)c1ccc(cc1)NC(=O)[C@H]1CC(=O)N(C(C)=C1[*:1])c1ccc(Cl)cc1
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(C(C)=O)cc1 CC(=O)[*:1] COC(=O)C1=C(C)N(C(=O)C[C@@H]1C(=O)Nc1ccc(cc1)[*:1])c1ccc(Cl)cc1
CC(C)[C@H](NC(=O)[C@H](C)OCC1CC1)C(=O)N1CCOCC1 C1CC1[*:1] CC(C)[C@H](NC(=O)[C@H](C)OC[*:1])C(=O)N1CCOCC1
CC(C)[C@H](NC(=O)[C@H](C)OCC1CC1)C(=O)N1CCOCC1 C1CC1CO[*:1] CC(C)[C@H](NC(=O)[C@H](C)[*:1])C(=O)N1CCOCC1
CC(C)[C@H](NC(=O)[C@H](C)OCC1CC1)C(=O)N1CCOCC1 C1CC1C[*:1] CC(C)[C@H](NC(=O)[C@H](C)O[*:1])C(=O)N1CCOCC1
CC(C)[C@H](NC(=O)[C@H](C)OCC1CC1)C(=O)N1CCOCC1 C[C@H](OCC1CC1)[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCOCC1
CC(C)[C@H](NC(=O)[C@H](C)OCC1CC1)C(=O)N1CCOCC1 CC(C)[*:1] C[C@H](OCC1CC1)C(=O)N[C@H](C(=O)N1CCOCC1)[*:1]
Cc1ccc(-n2ccnc2)c(C(=O)N[C@H](C)C(N)=O)c1 C[C@H](C(N)=O)[*:1] Cc1ccc(c(c1)C(=O)N[*:1])-n1ccnc1
Cc1ccc(-n2ccnc2)c(C(=O)N[C@H](C)C(N)=O)c1 NC(=O)[*:1] Cc1ccc(c(c1)C(=O)N[C@H](C)[*:1])-n1ccnc1
Cc1ccc(-n2ccnc2)c(C(=O)N[C@H](C)C(N)=O)c1 c1cn(cn1)[*:1] Cc1ccc(c(c1)C(=O)N[C@H](C)C(N)=O)[*:1]
Cc1ncsc1CNC(=O)N[C@@H](C)[C@H](O)c1ccc(Cl)cc1 Cc1ncsc1[*:1] C[C@H](NC(=O)NC[*:1])[C@H](O)c1ccc(Cl)cc1
Cc1ncsc1CNC(=O)N[C@@H](C)[C@H](O)c1ccc(Cl)cc1 Cc1ncsc1C[*:1] C[C@H](NC(=O)N[*:1])[C@H](O)c1ccc(Cl)cc1
Cc1ncsc1CNC(=O)N[C@@H](C)[C@H](O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1ncsc1CNC(=O)N[C@@H](C)[C@H](O)[*:1]
CCc1cc(N2CCC([NH2+]C[C@H]3CCOC3)CC2)nc(N2CCOCC2)n1 C1CN(CCO1)[*:1] CCc1cc(nc(n1)[*:1])N1CCC(CC1)[NH2+]C[C@H]1CCOC1
COC(=O)c1ccc(C)c(OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 C1CCC(C1)[*:1] COC(=O)c1ccc(C)c(c1)OCC(=O)N([C@@H]1CCS(=O)(=O)C1)[*:1]
COC(=O)c1ccc(C)c(OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 COC(=O)[*:1] Cc1ccc(cc1OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)[*:1]
N#C[C@]1(NC(=O)CCc2ccccc2OC(F)(F)F)CCSC1 FC(F)(F)O[*:1] N#C[C@@]1(CCSC1)NC(=O)CCc1ccccc1[*:1]
N#C[C@]1(NC(=O)CCc2ccccc2OC(F)(F)F)CCSC1 FC(F)(F)[*:1] N#C[C@@]1(CCSC1)NC(=O)CCc1ccccc1O[*:1]
Cc1ccc([C@@H]2CN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C[C@H]2[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] C[NH+](C)[C@@H]1CN(C[C@H]1[*:1])C(=O)c1ccc(cc1)-c1cc[nH]n1
Cc1ccc([C@@H]2CN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C[C@H]2[NH+](C)C)cc1 c1cc(n[nH]1)[*:1] Cc1ccc(cc1)[C@@H]1CN(C[C@H]1[NH+](C)C)C(=O)c1ccc(cc1)[*:1]
CC[C@H](C(=O)Nc1cccc(C)c1C)n1c(=O)cc(C)c2cccc(OC)c21 Cc1cccc(c1C)[*:1] CC[C@H](C(=O)N[*:1])n1c(=O)cc(C)c2cccc(OC)c21
CC(C)[C@H](C)SCC(=O)Nc1cccc(F)c1 CC(C)[*:1] C[C@H](SCC(=O)Nc1cccc(F)c1)[*:1]
[NH3+]CCCCSc1cc2ccccc2[nH]1 [NH3+]CC[*:1] c1ccc2[nH]c(cc2c1)SCC[*:1]
[NH3+]CCCCSc1cc2ccccc2[nH]1 [NH3+]CCC[*:1] c1ccc2[nH]c(cc2c1)SC[*:1]
O=C1CCC[N+]2=C(C(=O)NCC3CC3)CSC2=N1 C1CC1C[*:1] O=C1CCC[N+]2C(=N1)SCC=2C(=O)N[*:1]
O=C1CCC[N+]2=C(C(=O)NCC3CC3)CSC2=N1 C1CC1[*:1] O=C1CCC[N+]2C(=N1)SCC=2C(=O)NC[*:1]
COCC/N=C1\C(=O)Nc2ccccc21 COC[*:1] O=C1Nc2ccccc2/C1=N/C[*:1]
COCC/N=C1\C(=O)Nc2ccccc21 COCC[*:1] O=C1Nc2ccccc2C1=N[*:1]
CC(C)C[C@H]([NH2+][C@@H]1CSCC(C)(C)C1)c1ccccc1 CC(C)[*:1] CC1(C)CSC[C@H](C1)[NH2+][C@@H](C[*:1])c1ccccc1
CC(C)C[C@H]([NH2+][C@@H]1CSCC(C)(C)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)C[C@H]([NH2+][C@@H]1CSCC(C)(C)C1)[*:1]
CC(C)C[C@H]([NH2+][C@@H]1CSCC(C)(C)C1)c1ccccc1 CC(C)C[*:1] CC1(C)CSC[C@H](C1)[NH2+][C@H](c1ccccc1)[*:1]
Cc1nccn1-c1ccc(C[NH2+]Cc2cccc(O)c2)cc1F Cc1nccn1[*:1] Oc1cccc(c1)C[NH2+]Cc1ccc(c(F)c1)[*:1]
Cc1nccn1-c1ccc(C[NH2+]Cc2cccc(O)c2)cc1F Oc1cccc(c1)[*:1] Cc1nccn1-c1ccc(cc1F)C[NH2+]C[*:1]
O=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)N1CCCCC1 O=C(N1CCCCC1)[*:1] Clc1ccc(cc1)Cc1nc2ccccc2n1C[*:1]
O=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)N1CCCCC1 Clc1ccc(cc1)C[*:1] O=C(Cn1c(nc2ccccc21)[*:1])N1CCCCC1
O=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)N1CCCCC1 Clc1ccc(cc1)[*:1] O=C(Cn1c(C[*:1])nc2ccccc21)N1CCCCC1
CC(=O)Nc1ccc(OC[C@@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 CC(=O)N[*:1] O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@H](O)COc1ccc(cc1)[*:1]
O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(CC[*:1])C1
O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 Ic1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CC(=O)N(CCc2ccccc2)C1
C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(OC(F)F)c(F)c2)c1 FC(F)[*:1] C#Cc1cccc(c1)NC(=O)CNC(=O)Nc1ccc(O[*:1])c(F)c1
C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(OC(F)F)c(F)c2)c1 C#Cc1cccc(c1)[*:1] O=C(CNC(=O)Nc1ccc(OC(F)F)c(F)c1)N[*:1]
C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(OC(F)F)c(F)c2)c1 FC(F)O[*:1] C#Cc1cccc(c1)NC(=O)CNC(=O)Nc1ccc(c(F)c1)[*:1]
O[C@@H](c1ccccc1)c1ccccc1CN1CCCNC1=S c1ccc(cc1)[*:1] O[C@@H](c1ccccc1CN1CCCNC1=S)[*:1]
O[C@@H](c1ccccc1)c1ccccc1CN1CCCNC1=S S=C1NCCCN1[*:1] O[C@@H](c1ccccc1)c1ccccc1C[*:1]
COC(=O)c1ccc(CN2CCOC[C@@H]2C2CC2)cc1F COC(=O)[*:1] Fc1cc(ccc1[*:1])CN1CCOC[C@@H]1C1CC1
COC(=O)c1ccc(CN2CCOC[C@@H]2C2CC2)cc1F C1CC1[*:1] COC(=O)c1ccc(cc1F)CN1CCOC[C@H]1[*:1]
CCCC(=O)N1CCC[C@H]1C(=O)/N=c1/sccn1C CCC[*:1] Cn1ccs/c1=N/C(=O)[C@@H]1CCCN1C(=O)[*:1]
COCCCC(=O)N(CC(N)=O)C1CC[NH2+]CC1 COCC[*:1] NC(=O)CN(C(=O)C[*:1])C1CC[NH2+]CC1
COCCCC(=O)N(CC(N)=O)C1CC[NH2+]CC1 COCCC[*:1] NC(=O)CN(C(=O)[*:1])C1CC[NH2+]CC1
COCCCC(=O)N(CC(N)=O)C1CC[NH2+]CC1 NC(=O)C[*:1] COCCCC(=O)N(C1CC[NH2+]CC1)[*:1]
COCCCC(=O)N(CC(N)=O)C1CC[NH2+]CC1 NC(=O)[*:1] COCCCC(=O)N(C[*:1])C1CC[NH2+]CC1
COCCCC(=O)N(CC(N)=O)C1CC[NH2+]CC1 COC[*:1] NC(=O)CN(C(=O)CC[*:1])C1CC[NH2+]CC1
O=C1N(CN2CCOCC2)c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12 C1CN(CCO1)C[*:1] O=C1N(c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12)[*:1]
O=C1N(CN2CCOCC2)c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C1N(CN2CCOCC2)c2ccccc2[C@]1(O)[*:1]
O=C1N(CN2CCOCC2)c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12 C1CN(CCO1)[*:1] O=C1N(C[*:1])c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12
O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 C1CCC(CC1)[*:1] O=C(Nc1ccc(Cl)c(c1)C(=O)N[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=C(NC1CCCCC1)[*:1] O=C(Nc1ccc(Cl)c(c1)[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Nc1ccc(Cl)c(c1)C(=O)NC1CCCCC1)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CCCCc1nnc(NC(=O)CNC(=O)NC)s1 CCC[*:1] CNC(=O)NCC(=O)Nc1nnc(C[*:1])s1
CCCCc1nnc(NC(=O)CNC(=O)NC)s1 CNC(=O)NC[*:1] CCCCc1nnc(NC(=O)[*:1])s1
CCCCc1nnc(NC(=O)CNC(=O)NC)s1 CNC(=O)N[*:1] CCCCc1nnc(NC(=O)C[*:1])s1
CCCCc1nnc(NC(=O)CNC(=O)NC)s1 CCCC[*:1] CNC(=O)NCC(=O)Nc1nnc(s1)[*:1]
C[C@H](Cn1cccn1)[NH2+]C[C@H]1CC=CCC1 c1cnn(c1)[*:1] C[C@H](C[*:1])[NH2+]C[C@H]1CC=CCC1
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1F O=C([O-])[*:1] COc1ccc(C=C[*:1])cc1S(=O)(=O)Nc1ccc(F)cc1F
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N[*:1]
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1F O=C([O-])C=C[*:1] COc1ccc(cc1S(=O)(=O)Nc1ccc(F)cc1F)[*:1]
CCCNC/C(Cl)=C/Cl CCC[*:1] Cl/C=C(\Cl)CN[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)c1 CN(C)S(=O)(=O)[*:1] O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)Nc1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)c1 Clc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)/C=C(\C(F)(F)F)[*:1]
CN(C)S(=O)(=O)c1cccc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)c1 FC(F)(F)[*:1] CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C=C(c1ccc(Cl)cc1)[*:1]
CN1C(=O)C[C@](CC(=O)N2CC[C@H](c3ccc(F)cc3)C2)(c2ccc(-c3ccccc3)cc2)C1=O c1ccc(cc1)[*:1] CN1C(=O)C[C@@](CC(=O)N2CC[C@@H](C2)c2ccc(F)cc2)(C1=O)c1ccc(cc1)[*:1]
CN1C(=O)C[C@](CC(=O)N2CC[C@H](c3ccc(F)cc3)C2)(c2ccc(-c3ccccc3)cc2)C1=O Fc1ccc(cc1)[*:1] CN1C(=O)C[C@@](CC(=O)N2CC[C@H](C2)[*:1])(C1=O)c1ccc(cc1)-c1ccccc1
CC(C)(C)c1cc(NC(=O)[C@@H]2OCCc3ccccc32)c(C#N)s1 CC(C)(C)[*:1] N#Cc1sc(cc1NC(=O)[C@@H]1OCCc2ccccc21)[*:1]
Cn1cc([C@@H]2CC(O)=Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cn1 Clc1ccc(cc1)[*:1] Cn1cc(cn1)[C@@H]1CC(O)=Nc2c1sc(C(=O)[O-])c2[*:1]
Cn1cc([C@@H]2CC(O)=Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cn1 O=C([O-])[*:1] Cn1cc(cn1)[C@@H]1CC(O)=Nc2c1sc(c2-c1ccc(Cl)cc1)[*:1]
Cn1cc([C@@H]2CC(O)=Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cn1 Cn1cc(cn1)[*:1] O=C([O-])c1sc2c(N=C(O)C[C@H]2[*:1])c1-c1ccc(Cl)cc1
C[C@H](O)CNC(=O)Nc1cnc2ccccc2c1 C[C@H](O)C[*:1] O=C(Nc1cnc2ccccc2c1)N[*:1]
C[C@H](O)CNC(=O)Nc1cnc2ccccc2c1 C[C@H](O)[*:1] O=C(NC[*:1])Nc1cnc2ccccc2c1
COc1ccccc1[C@@]1(CC(=O)N2CCC[C@@H](C)C2)CC(=O)N(C)C1=O COc1ccccc1[*:1] C[C@@H]1CCCN(C1)C(=O)C[C@]1(CC(=O)N(C)C1=O)[*:1]
CN(CCOc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 c1ccc(cc1)OCC[*:1] CN(C(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1)[*:1]
CN(CCOc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 c1ccc(cc1)OC[*:1] CN(C[*:1])C(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CN(CCOc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 c1ccc(cc1)O[*:1] CN(CC[*:1])C(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CN(CCOc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 c1ccc(cc1)[*:1] CN(CCO[*:1])C(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)cc1
CN(CCOc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CN(CCOc1ccccc1)C(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2ccc(Br)cc2F)CC1 Fc1cc(Br)ccc1[*:1] O=C([C@@H]1COc2ccccc2O1)N1CCN(CC1)C[*:1]
O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2ccc(Br)cc2F)CC1 Fc1cc(Br)ccc1C[*:1] O=C([C@@H]1COc2ccccc2O1)N1CCN(CC1)[*:1]
O=C(OCc1cc(Cl)c2c(c1)OCO2)c1ccncc1Cl Clc1cnccc1[*:1] O=C(OCc1cc(Cl)c2OCOc2c1)[*:1]
C[C@@](O)(CNC(=O)c1cc(-c2ccccc2)on1)c1ccco1 c1coc(c1)[*:1] C[C@@](O)(CNC(=O)c1cc(on1)-c1ccccc1)[*:1]
C[C@@](O)(CNC(=O)c1cc(-c2ccccc2)on1)c1ccco1 c1ccc(cc1)[*:1] C[C@@](O)(CNC(=O)c1cc(on1)[*:1])c1ccco1
C[C@H]([NH2+][C@@H]1CC(=O)N(CC(F)(F)F)C1)C1CCOCC1 FC(F)(F)[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C1)C[*:1])C1CCOCC1
C[C@H]([NH2+][C@@H]1CC(=O)N(CC(F)(F)F)C1)C1CCOCC1 C1CC(CCO1)[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C1)CC(F)(F)F)[*:1]
C[C@H]([NH2+][C@@H]1CC(=O)N(CC(F)(F)F)C1)C1CCOCC1 FC(F)(F)C[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C1)[*:1])C1CCOCC1
Cc1ccc(CC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 Cc1ccc(cc1)C[*:1] O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)[*:1]
Cc1ccc(CC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 C1C[C@@H](CO1)[*:1] Cc1ccc(cc1)CC(=O)NC[C@@H](N1CCOCC1)[*:1]
Cc1ccc(CC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)CC(=O)NC[C@@H]([C@H]1CCOC1)[*:1]
Cc1ccc(CC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])NC[C@@H]([C@H]1CCOC1)N1CCOCC1
COCCCNC(=S)N1CCN(c2cccc(C)c2C)CC1 COC[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=S)NCC[*:1]
COCCCNC(=S)N1CCN(c2cccc(C)c2C)CC1 COCCC[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=S)N[*:1]
COCCCNC(=S)N1CCN(c2cccc(C)c2C)CC1 COCC[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=S)NC[*:1]
C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccncc2)CC1 c1cc(ccn1)[*:1] C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(CC1)C(=O)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)c1nn(-c2ccccc2)cc1OC c1ccc(cc1)[*:1] CCC[C@@H]1C[C@H]1NC(=O)c1nn(cc1OC)[*:1]
CCC[C@@H]1C[C@H]1NC(=O)c1nn(-c2ccccc2)cc1OC CCC[*:1] COc1cn(nc1C(=O)N[C@@H]1C[C@H]1[*:1])-c1ccccc1
CCO[C@@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2C)C1 CCO[*:1] COc1cc(C)c(cc1OC)C(=O)N1CCC[C@H](C1)[*:1]
COc1cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)ccc1OC(C)C CC(C)O[*:1] COc1cc(ccc1[*:1])C[NH+]1CCC(CC1)C(=O)N(C)C(C)C
COc1cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)ccc1OC(C)C CC(C)N(C)C(=O)[*:1] COc1cc(ccc1OC(C)C)C[NH+]1CCC(CC1)[*:1]
COc1cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1O[*:1])C[NH+]1CCC(CC1)C(=O)N(C)C(C)C
COc1cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)ccc1OC(C)C CC(C)[*:1] COc1cc(ccc1OC(C)C)C[NH+]1CCC(CC1)C(=O)N(C)[*:1]
CCOC[C@H]1CCN(C(=O)NCCCC(=O)N2CCc3ccccc3C2)C1 CCO[*:1] O=C(CCCNC(=O)N1CC[C@@H](C1)C[*:1])N1CCc2ccccc2C1
CCOC[C@H]1CCN(C(=O)NCCCC(=O)N2CCc3ccccc3C2)C1 CCOC[*:1] O=C(CCCNC(=O)N1CC[C@@H](C1)[*:1])N1CCc2ccccc2C1
Cn1nc([C@@H]2CCCN(C(=O)/C=C/c3ccc4c(c3)OCO4)C2)n(-c2ccccc2)c1=O c1ccc(cc1)[*:1] Cn1nc([C@@H]2CCCN(C2)C(=O)/C=C/c2ccc3OCOc3c2)n(c1=O)[*:1]
Cn1nc([C@@H]2CCCN(C(=O)/C=C/c3ccc4c(c3)OCO4)C2)n(-c2ccccc2)c1=O c1cc2OCOc2cc1[*:1] Cn1nc([C@@H]2CCCN(C2)C(=O)C=C[*:1])n(-c2ccccc2)c1=O
C[C@H](SCc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1F Fc1ccccc1[*:1] C[C@H](SCc1nc(no1)-c1cccs1)C(=O)N[*:1]
C[C@H](SCc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1F c1csc(c1)[*:1] C[C@H](SCc1nc(no1)[*:1])C(=O)Nc1ccccc1F
O=C(Cn1cc(C(F)(F)F)ccc1=O)N[C@@H]1CCOc2ccccc21 FC(F)(F)[*:1] O=C(Cn1cc(ccc1=O)[*:1])N[C@@H]1CCOc2ccccc21
COCC[NH2+]C[C@@H](C)c1ccc2cc(OC)ccc2c1 COCC[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C[NH2+][*:1]
COCC[NH2+]C[C@@H](C)c1ccc2cc(OC)ccc2c1 COC[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C[NH2+]C[*:1]
CC(C)CCS(=O)(=O)[C@@H](C)c1nc(C2CC2)no1 CC(C)CC[*:1] C[C@@H](c1nc(no1)C1CC1)S(=O)(=O)[*:1]
CC(C)CCS(=O)(=O)[C@@H](C)c1nc(C2CC2)no1 CC(C)[*:1] C[C@@H](c1nc(no1)C1CC1)S(=O)(=O)CC[*:1]
CC(C)CCS(=O)(=O)[C@@H](C)c1nc(C2CC2)no1 CC(C)C[*:1] C[C@@H](c1nc(no1)C1CC1)S(=O)(=O)C[*:1]
CC(C)CCS(=O)(=O)[C@@H](C)c1nc(C2CC2)no1 C1CC1[*:1] CC(C)CCS(=O)(=O)[C@@H](C)c1nc(no1)[*:1]
O=C(Nc1ccc2ncccc2c1)c1cc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] O=C(Nc1ccc2ncccc2c1)c1cc(n[nH]1)[*:1]
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 CC(C)[*:1] O=C1C[C@@H](CN1Cc1ccccn1)C(=O)N(Cc1ccc(cc1)[N+](=O)[O-])[*:1]
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 CC(C)N(Cc1ccc(cc1)[N+](=O)[O-])C(=O)[C@H]1CC(=O)N(C1)[*:1]
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] CC(C)N(Cc1ccc(cc1)[N+](=O)[O-])C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 O=[N+]([O-])[*:1] CC(C)N(Cc1ccc(cc1)[*:1])C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 O=[N+]([O-])c1ccc(cc1)[*:1] CC(C)N(C[*:1])C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1[nH]cc(-c2cccc(Br)c2)[nH+]1 Brc1cccc(c1)[*:1] COC(=O)[C@@H]1C[C@@H](O)CN1Cc1[nH]cc([nH+]1)[*:1]
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1[nH]cc(-c2cccc(Br)c2)[nH+]1 COC(=O)[*:1] O[C@@H]1C[C@H](N(Cc2[nH]cc([nH+]2)-c2cccc(Br)c2)C1)[*:1]
COc1cccc([C@@H](CO)NC(=O)c2cnc(Cc3ccccc3)s2)c1 COc1cccc(c1)[*:1] O=C(N[C@H](CO)[*:1])c1cnc(Cc2ccccc2)s1
COc1cccc([C@@H](CO)NC(=O)c2cnc(Cc3ccccc3)s2)c1 c1ccc(cc1)C[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)c1cnc(s1)[*:1]
COc1cccc([C@@H](CO)NC(=O)c2cnc(Cc3ccccc3)s2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H](CO)NC(=O)c1cnc(C[*:1])s1
C/[NH+]=C(/NCCc1c[nH]c2cc(C)ccc12)NCc1cc[nH]n1 c1cc(C[*:1])n[nH]1 C/[NH+]=C(/NCCc1c[nH]c2cc(C)ccc12)N[*:1]
C/[NH+]=C(/NCCc1c[nH]c2cc(C)ccc12)NCc1cc[nH]n1 c1cc(n[nH]1)[*:1] C/[NH+]=C(/NCCc1c[nH]c2cc(C)ccc12)NC[*:1]
Cc1ccc2[nH]cc(CCC(=O)NNC(=O)Nc3ccccc3C)c2c1 Cc1ccccc1[*:1] Cc1ccc2[nH]cc(CCC(=O)NNC(=O)N[*:1])c2c1
C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(N2CCOC2=O)c1 C1CO[C@H](C1)[*:1] C[C@H](NC(=O)C[*:1])c1cccc(c1)N1CCOC1=O
C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(N2CCOC2=O)c1 O=C1OCCN1[*:1] C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(c1)[*:1]
C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(N2CCOC2=O)c1 C1CO[C@H](C1)C[*:1] C[C@H](NC(=O)[*:1])c1cccc(c1)N1CCOC1=O
O=C(c1ccccc1)c1ccc2c(c1)N[C@H](c1ccco1)[C@H]1C(=O)CCC=C1N2 c1coc(c1)[*:1] O=C(c1ccccc1)c1ccc2NC3=CCCC(=O)[C@@H]3[C@@H](Nc2c1)[*:1]
O=C(c1ccccc1)c1ccc2c(c1)N[C@H](c1ccco1)[C@H]1C(=O)CCC=C1N2 O=C(c1ccccc1)[*:1] O=C1CCC=C2Nc3ccc(cc3N[C@H](c3ccco3)[C@@H]12)[*:1]
O=C(c1ccccc1)c1ccc2c(c1)N[C@H](c1ccco1)[C@H]1C(=O)CCC=C1N2 c1ccc(cc1)[*:1] O=C1CCC=C2Nc3ccc(cc3N[C@H](c3ccco3)[C@@H]12)C(=O)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 O=C(N1CCCC1)[*:1] COCC[C@@H](C)C(=O)Nc1ccc(cc1)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 COCC[*:1] C[C@@H](C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)[*:1]
COCC[C@@H](C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 COC[*:1] C[C@H](C[*:1])C(=O)Nc1ccc(cc1)C(=O)N1CCCC1
CCOc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)cc2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)-c1ccc(s1)S(=O)(=O)N1CCCC1
CCOc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)cc2)cc1 CCOc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)-c1ccc(s1)S(=O)(=O)N1CCCC1
CCOc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)cc2)cc1 O=S(=O)(N1CCCC1)[*:1] CCOc1ccc(cc1)NC(=O)c1ccc(cc1)-c1ccc(s1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H](C(C)C)N1CCCC1=O c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)[C@@H](C(C)C)N1CCCC1=O)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H](C(C)C)N1CCCC1=O O=C1CCCN1[*:1] Cc1ccc(cc1NC(=O)[C@@H](C(C)C)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H](C(C)C)N1CCCC1=O CC(C)[*:1] Cc1ccc(cc1NC(=O)[C@@H](N1CCCC1=O)[*:1])-c1ncco1
CCOc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4O)nc32)cc1 Oc1ccccc1[*:1] CCOc1ccc(cc1)-n1c(C)c(C)c2c1ncn1nc(nc21)[*:1]
CCOc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4O)nc32)cc1 CCOc1ccc(cc1)[*:1] Cc1c(C)n(c2ncn3nc(nc3c12)-c1ccccc1O)[*:1]
CCOc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4O)nc32)cc1 CCO[*:1] Cc1c(C)n(-c2ccc(cc2)[*:1])c2ncn3nc(nc3c12)-c1ccccc1O
CC[C@@H]([NH3+])[C@@H](Sc1ccncc1)c1cccnc1 c1cncc(c1)[*:1] CC[C@@H]([NH3+])[C@@H](Sc1ccncc1)[*:1]
CC[C@@H]([NH3+])[C@@H](Sc1ccncc1)c1cccnc1 c1cc(ccn1)[*:1] CC[C@@H]([NH3+])[C@@H](S[*:1])c1cccnc1
CSc1ccc(C(C)=O)cc1F CC(=O)[*:1] CSc1ccc(cc1F)[*:1]
CC1=CC[C@](C(=O)[O-])(C(=O)N/N=C/C2=C([O-])CC(C)(C)CC2=O)C[C@@H]1c1ccccc1 O=C([O-])[*:1] CC1=CC[C@@](C[C@@H]1c1ccccc1)(C(=O)N/N=C/C1C(=O)CC(C)(C)CC=1[O-])[*:1]
CC1=CC[C@](C(=O)[O-])(C(=O)N/N=C/C2=C([O-])CC(C)(C)CC2=O)C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC1=CC[C@](C[C@H]1[*:1])(C(=O)[O-])C(=O)N/N=C/C1C(=O)CC(C)(C)CC=1[O-]
C[C@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(C2CC2)C1 C1CC1[*:1] C[C@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(C1)[*:1]
C[C@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(C2CC2)C1 O=C([O-])C[*:1] C[C@H](NC(=O)[C@H]1CC(=O)N(C1)C1CC1)[*:1]
C[C@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(C2CC2)C1 O=C([O-])[*:1] C[C@H](C[*:1])NC(=O)[C@H]1CC(=O)N(C1)C1CC1
C[C@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(C2CC2)C1 C[C@H](CC(=O)[O-])[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)C1CC1
N#Cc1ccsc1N1CC[C@@H](Nc2ccc(F)c(C(N)=O)c2)C1=O N#Cc1ccsc1[*:1] NC(=O)c1cc(ccc1F)N[C@@H]1CCN(C1=O)[*:1]
N#Cc1ccsc1N1CC[C@@H](Nc2ccc(F)c(C(N)=O)c2)C1=O NC(=O)[*:1] N#Cc1ccsc1N1CC[C@@H](Nc2ccc(F)c(c2)[*:1])C1=O
COc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)c(c1)[*:1]
O=C(NCCCCC1CCCC1)c1nccn2ccnc12 C1CCC(C1)C[*:1] O=C(NCCC[*:1])c1nccn2ccnc12
O=C(NCCCCC1CCCC1)c1nccn2ccnc12 C1CCC(C1)CC[*:1] O=C(NCC[*:1])c1nccn2ccnc12
O=C(NCCCCC1CCCC1)c1nccn2ccnc12 C1CCC(C1)[*:1] O=C(NCCCC[*:1])c1nccn2ccnc12
C[NH2+][C@H](CSC1CCCCC1)[C@@H]1CCO[C@]2(CCSC2)C1 C1CCC(CC1)S[*:1] C[NH2+][C@H](C[*:1])[C@@H]1CCO[C@]2(CCSC2)C1
C[NH2+][C@H](CSC1CCCCC1)[C@@H]1CCO[C@]2(CCSC2)C1 C1CCC(CC1)[*:1] C[NH2+][C@H](CS[*:1])[C@@H]1CCO[C@]2(CCSC2)C1
O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)ccc1NC[C@@H]1CCCO1 C1CO[C@@H](C1)CN[*:1] O=[N+]([O-])c1cc(ccc1[*:1])-c1nc(no1)-c1ccccn1
O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)ccc1NC[C@@H]1CCCO1 O=[N+]([O-])[*:1] c1ccc(nc1)-c1noc(n1)-c1ccc(NC[C@@H]2CCCO2)c(c1)[*:1]
O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)ccc1NC[C@@H]1CCCO1 c1ccc(nc1)[*:1] O=[N+]([O-])c1cc(ccc1NC[C@@H]1CCCO1)-c1nc(no1)[*:1]
Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)c(F)c1 NC(=O)[*:1] Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2[*:1])c(F)c1
CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1 c1csc(c1)[*:1] CC(C)(C)OC(=O)N[C@H]1CCN(C1)c1cc(n[nH]1)[*:1]
CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(-c3cccs3)n[nH]2)C1 CC(C)(C)[*:1] O=C(N[C@H]1CCN(C1)c1cc(n[nH]1)-c1cccs1)O[*:1]
Cc1sc(-c2ccco2)nc1C(=O)NC[C@@H](O)c1ccc(F)cc1 c1coc(c1)[*:1] Cc1sc(nc1C(=O)NC[C@@H](O)c1ccc(F)cc1)[*:1]
Cc1sc(-c2ccco2)nc1C(=O)NC[C@@H](O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1sc(nc1C(=O)NC[C@@H](O)[*:1])-c1ccco1
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl C=CC[*:1] N#Cc1cccc(c1)CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)[*:1]
C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl N#Cc1cccc(c1)[*:1] C=CCN(C[*:1])C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl
CCOC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCOC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@H]1[*:1]
CCOC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 CCOC[*:1] C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)[*:1]
CCOC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 CCO[*:1] C[C@@H](C[*:1])[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1
COC(=O)C[C@](C)([NH3+])c1ccccc1OC COC(=O)[*:1] COc1ccccc1[C@@](C)([NH3+])C[*:1]
COC(=O)C[C@](C)([NH3+])c1ccccc1OC COC(=O)C[*:1] COc1ccccc1[C@](C)([NH3+])[*:1]
O=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)OCO3)s1 Fc1ccc(cc1)[*:1] O=C(Nc1nnc(s1)-c1ccc2OCOc2c1)N[*:1]
Cc1noc(CNC(=O)CSc2ccc(F)cc2)n1 Cc1noc(n1)[*:1] O=C(CSc1ccc(F)cc1)NC[*:1]
CC(C)(C)c1ccc(CN2CCO[C@H](CC(=O)[O-])C2)cc1 O=C([O-])[*:1] CC(C)(C)c1ccc(cc1)CN1CCO[C@@H](C1)C[*:1]
CC(C)(C)c1ccc(CN2CCO[C@H](CC(=O)[O-])C2)cc1 O=C([O-])C[*:1] CC(C)(C)c1ccc(cc1)CN1CCO[C@H](C1)[*:1]
CC(C)(C)c1ccc(CN2CCO[C@H](CC(=O)[O-])C2)cc1 CC(C)(C)[*:1] O=C([O-])C[C@@H]1CN(CCO1)Cc1ccc(cc1)[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1CCN1CCOCC1 C1CN(CCO1)[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1CC[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1CCN1CCOCC1 C1CN(CCO1)C[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1C[*:1]
C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1CCN1CCOCC1 C1CN(CCO1)CC[*:1] C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3occc32)C(=O)N1[*:1]
CC(C)OCCN1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 CC(C)[*:1] NC(=O)c1csc(c1)C(=O)N1CCN(CCO[*:1])CC1
CC(C)OCCN1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 CC(C)OCC[*:1] NC(=O)c1csc(c1)C(=O)N1CCN(CC1)[*:1]
CC(C)OCCN1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 CC(C)OC[*:1] NC(=O)c1csc(c1)C(=O)N1CCN(CC1)C[*:1]
CC(C)OCCN1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 NC(=O)[*:1] CC(C)OCCN1CCN(CC1)C(=O)c1cc(cs1)[*:1]
CC(C)OCCN1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 CC(C)O[*:1] NC(=O)c1csc(c1)C(=O)N1CCN(CC1)CC[*:1]
Fc1cnc(N/N=C/c2cc3c(cc2Br)OCO3)nc1N1CCOCC1 C1CN(CCO1)[*:1] Fc1cnc(nc1[*:1])N/N=C/c1cc2OCOc2cc1Br
Cc1ccc(/C=C/CC(=O)NCC(=O)OC(C)C)cc1 CC(C)OC(=O)[*:1] Cc1ccc(/C=C/CC(=O)NC[*:1])cc1
Cc1ccc(/C=C/CC(=O)NCC(=O)OC(C)C)cc1 CC(C)[*:1] Cc1ccc(/C=C/CC(=O)NCC(=O)O[*:1])cc1
CC(C)(C)[C@H](NCc1cc(=O)n2nccc2[nH]1)c1cccs1 c1csc(c1)[*:1] CC(C)(C)[C@H](NCc1cc(=O)n2nccc2[nH]1)[*:1]
CC(C)(C)[C@H](NCc1cc(=O)n2nccc2[nH]1)c1cccs1 CC(C)(C)[*:1] O=c1cc(CN[C@H](c2cccs2)[*:1])[nH]c2ccnn12
COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NC[C@@H]([NH+](C)C)[*:1]
COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[NH+](C)C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1ccc(c(C)c1)[*:1])[NH+](C)C
CN(C)c1cc[nH+]c2sc(C(N)=O)c(N)c12 CN(C)[*:1] NC(=O)c1sc2[nH+]ccc(c2c1N)[*:1]
CN(C)c1cc[nH+]c2sc(C(N)=O)c(N)c12 NC(=O)[*:1] CN(C)c1cc[nH+]c2sc(c(N)c12)[*:1]
Cc1ccccc1[C@@H](C[NH3+])N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1ccccc1[C@@H](C[NH3+])N1CCN(CC1)[*:1]
Cc1ccccc1[C@@H](C[NH3+])N1CCN(c2ccccc2)CC1 Cc1ccccc1[*:1] [NH3+]C[C@@H](N1CCN(CC1)c1ccccc1)[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)cc1 CC(=O)NCC[*:1] C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(cc1)[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)cc1 CC(=O)N[*:1] C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(cc1)CC[*:1]
CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)cc1 CC(=O)NC[*:1] C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(cc1)C[*:1]
CCS[C@H]1CCC[C@H](NC(=O)C=C2CCSCC2)C1 CCS[*:1] O=C(C=C1CCSCC1)N[C@H]1CCC[C@@H](C1)[*:1]
COc1ccc(OC)c(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1 CC(C)[*:1] COc1ccc(OC)c(c1)NS(=O)(=O)c1ccc(cc1)C[*:1]
COc1ccc(OC)c(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1 CC(C)C[*:1] COc1ccc(OC)c(c1)NS(=O)(=O)c1ccc(cc1)[*:1]
CCCC(=O)N(C)Cc1c(CC)oc2ccccc12 CCC[*:1] CCc1oc2ccccc2c1CN(C)C(=O)[*:1]
O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccco2)c1 Clc1ccc(cc1)C[*:1] O=C(NCc1ccco1)c1cccc(c1)NC(=O)[*:1]
O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccco2)c1 Clc1ccc(cc1)[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)NCc1ccco1
O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] O=C(Cc1ccc(Cl)cc1)Nc1cccc(c1)C(=O)N[*:1]
O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccco2)c1 c1coc(c1)[*:1] O=C(Cc1ccc(Cl)cc1)Nc1cccc(c1)C(=O)NC[*:1]
Cc1cccc2nc(CS(=O)(=O)Cc3ccc(F)cc3)cc(=O)n12 Fc1ccc(cc1)[*:1] Cc1cccc2nc(cc(=O)n12)CS(=O)(=O)C[*:1]
Cc1cccc2nc(CS(=O)(=O)Cc3ccc(F)cc3)cc(=O)n12 Fc1ccc(cc1)C[*:1] Cc1cccc2nc(cc(=O)n12)CS(=O)(=O)[*:1]
CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 CNC(=O)NC(=O)CC[*:1] Fc1ccccc1-c1nnc(S[*:1])n1Cc1ccccc1
CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 Fc1ccccc1[*:1] CNC(=O)NC(=O)CCSc1nnc(n1Cc1ccccc1)[*:1]
CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 c1ccc(cc1)[*:1] CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2F)n1C[*:1]
CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 CNC(=O)NC(=O)[*:1] Fc1ccccc1-c1nnc(SCC[*:1])n1Cc1ccccc1
CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 c1ccc(cc1)C[*:1] CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2F)n1[*:1]
CNC(=O)NC(=O)CCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 CNC(=O)NC(=O)C[*:1] Fc1ccccc1-c1nnc(SC[*:1])n1Cc1ccccc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 CC(C)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2cc(C)on2)[C@H]1c1ccc(cc1)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 Cc1cc(no1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)C(C)C)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 COc1ccc(cc1)C(=O)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C([C@@H]1c1ccc(cc1)C(C)C)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 COc1ccc(cc1)[*:1] Cc1cc(no1)N1C(=O)C([O-])=C(C(=O)[*:1])[C@@H]1c1ccc(cc1)C(C)C
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 CC(C)c1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(c2cc(C)on2)[C@@H]1[*:1]
CC(C)c1ocnc1CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 FC(F)(F)[*:1] CC(C)c1ocnc1CN1CCC[C@@H](C1)c1nc(cs1)[*:1]
CC(C)c1ocnc1CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 CC(C)[*:1] FC(F)(F)c1csc(n1)[C@H]1CCCN(Cc2ncoc2[*:1])C1
CC(C)c1ocnc1CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 CC(C)c1ocnc1[*:1] FC(F)(F)c1csc(n1)[C@H]1CCCN(C1)C[*:1]
Cc1cc2cccc(C(=O)N(C[C@@H]3CCC(=O)N3)C(C)C)c2o1 CC(C)[*:1] Cc1cc2cccc(C(=O)N(C[C@@H]3CCC(=O)N3)[*:1])c2o1
O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CC[NH2+]CCO OCC[*:1] O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CC[NH2+][*:1]
CN1CCO[C@@H](CN2C[C@H](C(=O)[O-])CC2=O)C1 O=C([O-])[*:1] CN1CCO[C@H](C1)CN1C[C@H](CC1=O)[*:1]
Cc1cc(C)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c(=O)[nH]1 N#Cc1cccnc1[*:1] Cc1cc(C)c(C(=O)N2CCN(CC2)[*:1])c(=O)[nH]1
CN(CCS(C)(=O)=O)c1cc(Br)ccc1N CS(=O)(=O)[*:1] CN(CC[*:1])c1cc(Br)ccc1N
CN(CCS(C)(=O)=O)c1cc(Br)ccc1N CS(=O)(=O)C[*:1] CN(C[*:1])c1cc(Br)ccc1N
N#Cc1ccc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1 N#Cc1ccc(cc1)[*:1] O=C1C[C@@H](c2ccccc2)N(CCN1)C(=O)N[*:1]
N#Cc1ccc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NC(=O)N1CCNC(=O)C[C@@H]1[*:1]
COc1ccc(OC)c(NC(=O)c2nc3ccccc3nc2N2CCOCC2)c1 C1CN(CCO1)[*:1] COc1ccc(OC)c(c1)NC(=O)c1nc2ccccc2nc1[*:1]
C[C@H]1CC(/C([O-])=N/S(=O)(=O)c2cccc(Cl)c2)C[C@H](C)O1 Clc1cccc(c1)[*:1] C[C@H]1CC(C[C@H](C)O1)/C([O-])=N/S(=O)(=O)[*:1]
COc1cccc(CN(C)C(=O)Cn2ncnc2-c2cccc(C#N)c2)c1 COc1cccc(c1)[*:1] CN(C[*:1])C(=O)Cn1ncnc1-c1cccc(C#N)c1
COc1cccc(CN(C)C(=O)Cn2ncnc2-c2cccc(C#N)c2)c1 COc1cccc(c1)C[*:1] CN(C(=O)Cn1ncnc1-c1cccc(C#N)c1)[*:1]
COc1cccc(CN(C)C(=O)Cn2ncnc2-c2cccc(C#N)c2)c1 N#Cc1cccc(c1)[*:1] COc1cccc(c1)CN(C)C(=O)Cn1ncnc1[*:1]
COC(=O)c1c(NC=[N+](C)C)c(C#N)c(C)n1Cc1ccccc1 COC(=O)[*:1] Cc1c(C#N)c(NC=[N+](C)C)c(n1Cc1ccccc1)[*:1]
COC(=O)c1c(NC=[N+](C)C)c(C#N)c(C)n1Cc1ccccc1 c1ccc(cc1)C[*:1] COC(=O)c1c(NC=[N+](C)C)c(C#N)c(C)n1[*:1]
COC(=O)c1c(NC=[N+](C)C)c(C#N)c(C)n1Cc1ccccc1 c1ccc(cc1)[*:1] COC(=O)c1c(NC=[N+](C)C)c(C#N)c(C)n1C[*:1]
COc1cccc(C2=Nc3nnnn3[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 COc1cccc(c1)[*:1] O=[N+]([O-])c1cccc(c1)[C@@H]1CC(=Nc2nnnn21)[*:1]
COc1cccc(C2=Nc3nnnn3[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 O=[N+]([O-])[*:1] COc1cccc(c1)C1C[C@@H](c2cccc(c2)[*:1])n2nnnc2N=1
C[C@@H]1C[C@H]1NC(=O)c1coc(Br)c1 C[C@@H]1C[C@@H]1[*:1] O=C(N[*:1])c1coc(Br)c1
Cc1ccc(N2C(=O)CCC2=O)cc1NC(=O)c1cccc2[nH]ccc12 O=C1CCC(=O)N1[*:1] Cc1ccc(cc1NC(=O)c1cccc2[nH]ccc12)[*:1]
C[NH+](C)[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1cccs1 c1csc(c1)[*:1] C[NH+](C)[C@H](CNc1nc(CN2CCOCC2)nc2sc3CCCc3c12)[*:1]
C[NH+](C)[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1cccs1 C1CN(CCO1)C[*:1] C[NH+](C)[C@H](CNc1nc(nc2sc3CCCc3c12)[*:1])c1cccs1
C[NH+](C)[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1cccs1 C1CN(CCO1)[*:1] C[NH+](C)[C@H](CNc1nc(C[*:1])nc2sc3CCCc3c12)c1cccs1
Cc1ccc(CNC(=O)c2cc(OCc3ccccc3)no2)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])c1cc(no1)OCc1ccccc1
Cc1ccc(CNC(=O)c2cc(OCc3ccccc3)no2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)c1cc(no1)OC[*:1]
Cc1ccc(CNC(=O)c2cc(OCc3ccccc3)no2)cc1 c1ccc(cc1)CO[*:1] Cc1ccc(cc1)CNC(=O)c1cc(no1)[*:1]
Cc1ccc(CNC(=O)c2cc(OCc3ccccc3)no2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)CNC(=O)c1cc(no1)O[*:1]
Cc1ccc(CNC(=O)c2cc(OCc3ccccc3)no2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1cc(no1)OCc1ccccc1
CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(C)cc1 CCNC(=O)[*:1] Cc1ccc(cc1)C(=O)N1CCC[C@H]1[*:1]
COc1ccc(Cc2noc(-c3ccc(N4CCC[C@@H](OC)C4)nc3)n2)cc1 COc1ccc(cc1)C[*:1] CO[C@@H]1CCCN(C1)c1ccc(cn1)-c1nc(no1)[*:1]
COc1ccc(Cc2noc(-c3ccc(N4CCC[C@@H](OC)C4)nc3)n2)cc1 COc1ccc(cc1)[*:1] CO[C@@H]1CCCN(C1)c1ccc(cn1)-c1nc(C[*:1])no1
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 CC(=O)N[*:1] Cc1cccc(c1)NC(=O)/C(C#N)=C/c1ccc(cc1)[*:1]
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 Cc1cccc(c1)[*:1] CC(=O)Nc1ccc(/C=C(\C#N)C(=O)N[*:1])cc1
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cccnc1)CC2)NC1CCCC1 O=C(NC1CCCC1)N[*:1] O=S(=O)(c1cccnc1)N1CCc2nc(sc2C1)[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cccnc1)CC2)NC1CCCC1 C1CCC(C1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)c1cccnc1)N[*:1]
O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cccnc1)CC2)NC1CCCC1 c1cncc(c1)[*:1] O=C(Nc1nc2CCN(Cc2s1)S(=O)(=O)[*:1])NC1CCCC1
C[C@H](NC(=O)c1cccs1)C(=O)N1CCc2c(sc(N)c2C#N)C1 c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCc2c(C1)sc(N)c2C#N
C[C@H](NC(=O)c1cccs1)C(=O)N1CCc2c(sc(N)c2C#N)C1 O=C(N[*:1])c1cccs1 C[C@H](C(=O)N1CCc2c(C1)sc(N)c2C#N)[*:1]
Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3ccc(Br)cc3F)c2n1 Fc1cc(Br)ccc1[*:1] Cc1cc(C)c2c(nn(CCCC(=O)N[*:1])c2n1)-n1cccc1
Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3ccc(Br)cc3F)c2n1 c1ccn(c1)[*:1] Cc1cc(C)c2c(nn(CCCC(=O)Nc3ccc(Br)cc3F)c2n1)[*:1]
O=C(NCCn1cccn1)c1csc(-c2cccs2)n1 c1cnn(c1)C[*:1] O=C(NC[*:1])c1csc(n1)-c1cccs1
O=C(NCCn1cccn1)c1csc(-c2cccs2)n1 c1csc(c1)[*:1] O=C(NCCn1cccn1)c1csc(n1)[*:1]
O=C(NCCn1cccn1)c1csc(-c2cccs2)n1 c1cnn(c1)[*:1] O=C(NCC[*:1])c1csc(n1)-c1cccs1
CC(C)(O)CC[NH2+]Cc1cccc2c1OCO2 CC(C)(O)[*:1] c1cc(C[NH2+]CC[*:1])c2OCOc2c1
CC(C)(O)CC[NH2+]Cc1cccc2c1OCO2 CC(C)(O)C[*:1] c1cc(C[NH2+]C[*:1])c2OCOc2c1
CC[C@@H]1CCC[C@@H](NC(=O)CNC(=O)C(C)(C)C)C1 CC(C)(C)[*:1] CC[C@@H]1CCC[C@H](C1)NC(=O)CNC(=O)[*:1]
CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1O CC[C@@H](C)[*:1] [NH3+][C@H](C(=O)Nc1cc(Br)ccc1O)[*:1]
C[C@H](NCCc1n[nH]c(-c2ccco2)n1)c1nc2c(s1)CCCC2 c1coc(c1)[*:1] C[C@H](NCCc1n[nH]c(n1)[*:1])c1nc2CCCCc2s1
C[C@@H](C(=O)NC(C)(C)C)N1CCc2c(cccc2N2CCOC2=O)C1 O=C1OCCN1[*:1] C[C@@H](C(=O)NC(C)(C)C)N1CCc2c(cccc2[*:1])C1
C[C@@H](C(=O)NC(C)(C)C)N1CCc2c(cccc2N2CCOC2=O)C1 CC(C)(C)NC(=O)[*:1] C[C@@H](N1CCc2c(cccc2N2CCOC2=O)C1)[*:1]
C[C@@H](C(=O)NC(C)(C)C)N1CCc2c(cccc2N2CCOC2=O)C1 CC(C)(C)[*:1] C[C@@H](C(=O)N[*:1])N1CCc2c(cccc2N2CCOC2=O)C1
COc1cc(F)cc(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1cc(F)cc(c1)CNC(=O)[C@H]1CCCN1C(=O)[*:1]
COc1cc(F)cc(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c1 COc1cc(F)cc(c1)[*:1] O=C(NC[*:1])[C@H]1CCCN1C(=O)Cc1ccccc1
COc1cc(F)cc(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c1 c1ccc(cc1)[*:1] COc1cc(F)cc(c1)CNC(=O)[C@H]1CCCN1C(=O)C[*:1]
CCNC(=O)C[NH+]1CCC(CN2CCOCC2)CC1 CCNC(=O)C[*:1] C1CN(CCO1)CC1CC[NH+](CC1)[*:1]
CCNC(=O)C[NH+]1CCC(CN2CCOCC2)CC1 C1CN(CCO1)[*:1] CCNC(=O)C[NH+]1CCC(CC1)C[*:1]
CCNC(=O)C[NH+]1CCC(CN2CCOCC2)CC1 CCNC(=O)[*:1] C1CN(CCO1)CC1CC[NH+](CC1)C[*:1]
CCCCOc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 CCCC[*:1] CS(=O)(=O)c1cccc(c1)NC(=O)c1ccc(cc1)O[*:1]
CCCCOc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 CCCCO[*:1] CS(=O)(=O)c1cccc(c1)NC(=O)c1ccc(cc1)[*:1]
CCCCOc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 CCC[*:1] CS(=O)(=O)c1cccc(c1)NC(=O)c1ccc(cc1)OC[*:1]
CCCCOc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 CS(=O)(=O)[*:1] CCCCOc1ccc(cc1)C(=O)Nc1cccc(c1)[*:1]
Cc1ccccc1C(=O)Nc1cc(-c2ccsc2)no1 c1cc(cs1)[*:1] Cc1ccccc1C(=O)Nc1cc(no1)[*:1]
CCNC(=O)c1ccc(CNC(=O)N2CCC(OC)CC2)cc1 CCNC(=O)[*:1] COC1CCN(CC1)C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(CNC(=O)/C(C#N)=C\c2cccc3c2OCCCO3)cc1 COc1ccc(cc1)[*:1] N#C/C(=C/c1cccc2OCCCOc12)C(=O)NC[*:1]
COc1ccc(CNC(=O)/C(C#N)=C\c2cccc3c2OCCCO3)cc1 COc1ccc(cc1)C[*:1] N#C/C(=C/c1cccc2OCCCOc12)C(=O)N[*:1]
COc1cccc2c1OC[C@H](NC(=O)/C=C/C(C)(C)C)C2 CC(C)(C)[*:1] COc1cccc2C[C@H](COc21)NC(=O)C=C[*:1]
COc1cccc2c1OC[C@H](NC(=O)/C=C/C(C)(C)C)C2 CC(C)(C)C=C[*:1] COc1cccc2C[C@H](COc21)NC(=O)[*:1]
O=C(CNc1ccccc1C[NH+]1CCC(CO)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] OCC1CC[NH+](CC1)Cc1ccccc1NC[*:1]
Cc1cccc(NC(=O)C(=O)NCC2CCN(c3ncccn3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NCC1CCN(CC1)c1ncccn1)C(=O)N[*:1]
Cc1cccc(NC(=O)C(=O)NCC2CCN(c3ncccn3)CC2)c1 c1cnc(nc1)[*:1] Cc1cccc(c1)NC(=O)C(=O)NCC1CCN(CC1)[*:1]
Cc1nn(C)cc1CN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn(C)cc1CN(C)[C@H](C)[C@@H](C)[*:1]
Cc1nn(C)cc1CN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 Cc1nn(C)cc1[*:1] C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C[*:1]
Clc1ccccc1C#CCN1CCOC[C@@H]1C1CC1 C1CC1[*:1] Clc1ccccc1C#CCN1CCOC[C@H]1[*:1]
CCOc1cccc([C@H]2Nc3c(C)cc(C)cc3[C@H]3OCCC[C@@H]23)c1OC CCO[*:1] COc1c(cccc1[*:1])[C@H]1Nc2c(C)cc(C)cc2[C@H]2OCCC[C@@H]12
COc1cccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)c1 COc1cccc(c1)[*:1] O=C(N[*:1])c1cc2CS(=O)(=O)c3cc(Cl)ccc3-c2s1
Cc1ccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 Cc1ccc(cc1)[*:1] O=C(CO[*:1])Nc1cccc(c1)-c1nnn[n-]1
C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1Cc1cn(C)nc1-c1cccnc1 c1cncc(c1)[*:1] C[C@H]1[C@H](OC[C@@H](C)N1Cc1cn(C)nc1[*:1])c1ccccc1
C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1Cc1cn(C)nc1-c1cccnc1 c1ccc(cc1)[*:1] C[C@H]1[C@@H](OC[C@@H](C)N1Cc1cn(C)nc1-c1cccnc1)[*:1]
COC(=O)c1sc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c(C#N)c1C c1cc2OCOc2cc1[*:1] COC(=O)c1sc(NC(=S)NC(=O)[*:1])c(C#N)c1C
COC(=O)c1sc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c(C#N)c1C COC(=O)[*:1] Cc1c(sc(NC(=S)NC(=O)c2ccc3OCOc3c2)c1C#N)[*:1]
Cc1ccc(CNS(=O)(=O)c2ncn(C)c2Cl)c(N(C)C)c1 Cn1cnc(c1Cl)[*:1] Cc1ccc(CNS(=O)(=O)[*:1])c(c1)N(C)C
Cc1ccc(CNS(=O)(=O)c2ncn(C)c2Cl)c(N(C)C)c1 CN(C)[*:1] Cc1ccc(CNS(=O)(=O)c2ncn(C)c2Cl)c(c1)[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccn2)cc1 COc1ccc(cc1)[*:1] O=C1c2ccccc2N[C@H](c2ccccn2)N1[*:1]
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccn2)cc1 c1ccc(nc1)[*:1] COc1ccc(cc1)N1C(=O)c2ccccc2N[C@H]1[*:1]
Cc1ncccc1NC(=O)OCCO OCC[*:1] Cc1ncccc1NC(=O)O[*:1]
CCC[C@H](C)N(CC)C(=O)c1cc(-c2cncnc2)nc2c(C)c(C)ccc12 c1ncc(cn1)[*:1] CCC[C@H](C)N(CC)C(=O)c1cc(nc2c(C)c(C)ccc12)[*:1]
CCC[C@H](C)N(CC)C(=O)c1cc(-c2cncnc2)nc2c(C)c(C)ccc12 CCC[*:1] CCN(C(=O)c1cc(nc2c(C)c(C)ccc12)-c1cncnc1)[C@@H](C)[*:1]
Cc1cc(-n2cncn2)ccc1C(=O)NCC(C1CC1)C1CC1 c1ncn(n1)[*:1] Cc1cc(ccc1C(=O)NCC(C1CC1)C1CC1)[*:1]
Cc1cc(-n2cncn2)ccc1C(=O)NCC(C1CC1)C1CC1 C1CC1C(C1CC1)[*:1] Cc1cc(ccc1C(=O)NC[*:1])-n1cncn1
Cc1cc(-n2cncn2)ccc1C(=O)NCC(C1CC1)C1CC1 C1CC1[*:1] Cc1cc(ccc1C(=O)NCC(C1CC1)[*:1])-n1cncn1
O=C1C[C@@H](N2CCN(c3cccc[nH+]3)CC2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N1[*:1])N1CCN(CC1)c1cccc[nH+]1
C[C@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1)C(=O)O[*:1]
C[C@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1)C(=O)OC(C)(C)C c1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H](C)[C@H](C)[*:1])C(=O)OC(C)(C)C
CCOc1cc(C)ccc1NC(=O)Cc1cn2ccsc2n1 CCO[*:1] Cc1ccc(NC(=O)Cc2cn3ccsc3n2)c(c1)[*:1]
O=C([O-])CNC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 O=C([O-])C[*:1] O=C(N[*:1])C1CCC(CC1)Cn1cnc2ccccc2c1=O
O=C([O-])CNC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 O=C([O-])[*:1] O=C(NC[*:1])C1CCC(CC1)Cn1cnc2ccccc2c1=O
O=C([O-])CNC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 O=C([O-])CNC(=O)[*:1] O=c1c2ccccc2ncn1CC1CCC(CC1)[*:1]
CCOc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)OC)c(=O)n2C)cc1 COC(=O)C[*:1] CCOc1ccc(cc1)N1C[C@@H](C)Cn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
CCOc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)OC)c(=O)n2C)cc1 COC(=O)[*:1] CCOc1ccc(cc1)N1C[C@@H](C)Cn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
CCOc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)OC)c(=O)n2C)cc1 CCOc1ccc(cc1)[*:1] COC(=O)Cn1c(=O)c2c(nc3N(C[C@@H](C)Cn32)[*:1])n(C)c1=O
CCOc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)OC)c(=O)n2C)cc1 CCO[*:1] COC(=O)Cn1c(=O)c2c(nc3N(C[C@@H](C)Cn32)c2ccc(cc2)[*:1])n(C)c1=O
Cc1cc(=O)n2nc(NCCSc3ccccc3)sc2n1 c1ccc(cc1)S[*:1] Cc1cc(=O)n2nc(NCC[*:1])sc2n1
Cc1cc(=O)n2nc(NCCSc3ccccc3)sc2n1 c1ccc(cc1)[*:1] Cc1cc(=O)n2nc(NCCS[*:1])sc2n1
Cc1cc(OCC(=O)NNC(=O)COc2cccc(F)c2)ccc1Cl Cc1cc(ccc1Cl)[*:1] O=C(COc1cccc(F)c1)NNC(=O)CO[*:1]
Cc1cc(OCC(=O)NNC(=O)COc2cccc(F)c2)ccc1Cl Fc1cccc(c1)[*:1] Cc1cc(ccc1Cl)OCC(=O)NNC(=O)CO[*:1]
Cc1cc(OCC(=O)NNC(=O)COc2cccc(F)c2)ccc1Cl Fc1cccc(c1)O[*:1] Cc1cc(ccc1Cl)OCC(=O)NNC(=O)C[*:1]
CCSc1ccc(/C([O-])=N/S(=O)(=O)c2cccs2)cn1 c1csc(c1)[*:1] CCSc1ccc(cn1)/C([O-])=N/S(=O)(=O)[*:1]
CCSc1ccc(/C([O-])=N/S(=O)(=O)c2cccs2)cn1 CCS[*:1] O=S(=O)(/N=C(\[O-])c1ccc(nc1)[*:1])c1cccs1
Cc1ccc(NCc2nc([C@@H](C)OCC(C)C)no2)c(Br)c1 CC(C)CO[C@H](C)[*:1] Cc1ccc(NCc2nc(no2)[*:1])c(Br)c1
Cc1ccc(NCc2nc([C@@H](C)OCC(C)C)no2)c(Br)c1 CC(C)[*:1] Cc1ccc(NCc2nc(no2)[C@@H](C)OC[*:1])c(Br)c1
Cc1ccc(NCc2nc([C@@H](C)OCC(C)C)no2)c(Br)c1 CC(C)CO[*:1] Cc1ccc(NCc2nc(no2)[C@@H](C)[*:1])c(Br)c1
Cc1ccc(NCc2nc([C@@H](C)OCC(C)C)no2)c(Br)c1 CC(C)C[*:1] Cc1ccc(NCc2nc(no2)[C@@H](C)O[*:1])c(Br)c1
CC(=O)C[C@H]1CCCCCN1C(=O)CCC(C)C CC(=O)[*:1] CC(C)CCC(=O)N1CCCCC[C@@H]1C[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)CCC(C)C CC(C)CC[*:1] CC(=O)C[C@H]1CCCCCN1C(=O)[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)CCC(C)C CC(C)C[*:1] CC(=O)C[C@H]1CCCCCN1C(=O)C[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)CCC(C)C CC(=O)C[*:1] CC(C)CCC(=O)N1CCCCC[C@@H]1[*:1]
CC(=O)C[C@H]1CCCCCN1C(=O)CCC(C)C CC(C)[*:1] CC(=O)C[C@H]1CCCCCN1C(=O)CC[*:1]
CO[C@@H](C(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 c1ccc(cc1)[*:1] CO[C@@H](C(=O)NC[C@H]1CN(C)CCO1)[*:1]
COc1cccc(-c2cc(C(=O)Nc3ccn(Cc4ccc(C)cc4)n3)no2)c1 Cc1ccc(cc1)C[*:1] COc1cccc(c1)-c1cc(no1)C(=O)Nc1ccn(n1)[*:1]
COc1cccc(-c2cc(C(=O)Nc3ccn(Cc4ccc(C)cc4)n3)no2)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)Cn1ccc(n1)NC(=O)c1cc(on1)[*:1]
COc1cccc(-c2cc(C(=O)Nc3ccn(Cc4ccc(C)cc4)n3)no2)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)-c1cc(no1)C(=O)Nc1ccn(C[*:1])n1
CC1(C)CSC[C@@](O)(c2ccccc2OC(F)(F)F)C1 FC(F)(F)[*:1] CC1(C)CSC[C@](O)(C1)c1ccccc1O[*:1]
CC1(C)CSC[C@@](O)(c2ccccc2OC(F)(F)F)C1 FC(F)(F)O[*:1] CC1(C)CSC[C@](O)(C1)c1ccccc1[*:1]
CCCCC(=O)Nc1ccc(NC(=O)C(C)C)cc1OC CC(C)C(=O)N[*:1] CCCCC(=O)Nc1ccc(cc1OC)[*:1]
CCCCC(=O)Nc1ccc(NC(=O)C(C)C)cc1OC CCCC[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)C(C)C
CCCCC(=O)Nc1ccc(NC(=O)C(C)C)cc1OC CCCCC(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)C(C)C
CCCCC(=O)Nc1ccc(NC(=O)C(C)C)cc1OC CCC[*:1] COc1cc(ccc1NC(=O)C[*:1])NC(=O)C(C)C
CCCCC(=O)Nc1ccc(NC(=O)C(C)C)cc1OC CC(C)[*:1] CCCCC(=O)Nc1ccc(cc1OC)NC(=O)[*:1]
CC(C)[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H]([NH2+]CCN1CCN(CC1)c1ncccn1)[*:1]
CC(C)[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccccc1 c1cnc(nc1)[*:1] CC(C)[C@@H]([NH2+]CCN1CCN(CC1)[*:1])c1ccccc1
CC(C)[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1ccccc1 CC(C)[*:1] c1ccc(cc1)[C@H]([NH2+]CCN1CCN(CC1)c1ncccn1)[*:1]
C[C@@H]1CC(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)C[C@@H](C)O1 FC(F)(F)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccc(cc1[*:1])-n1cccn1
C[C@@H]1CC(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)C[C@@H](C)O1 c1cnn(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccc(cc1C(F)(F)F)[*:1]
Cc1sc2nc(-c3cccs3)nc(N3CCN[C@@H](C(N)=O)C3)c2c1C NC(=O)[*:1] Cc1sc2nc(nc(c2c1C)N1CCN[C@@H](C1)[*:1])-c1cccs1
Cc1sc2nc(-c3cccs3)nc(N3CCN[C@@H](C(N)=O)C3)c2c1C c1csc(c1)[*:1] Cc1sc2nc(nc(c2c1C)N1CCN[C@H](C1)C(N)=O)[*:1]
CCOC(=O)C1=C(C)O[C@@]2(O)c3ccccc3C(=O)[C@]12O CCOC(=O)[*:1] CC1O[C@@]2(O)c3ccccc3C(=O)[C@]2(O)C=1[*:1]
O=C(Nc1ccc(I)cc1)c1cccc(-n2cnnc2)n1 Ic1ccc(cc1)[*:1] O=C(N[*:1])c1cccc(n1)-n1cnnc1
O=C(Nc1ccc(I)cc1)c1cccc(-n2cnnc2)n1 c1nncn1[*:1] O=C(Nc1ccc(I)cc1)c1cccc(n1)[*:1]
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)Oc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)O[*:1]
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)Oc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[*:1]
CN(CC[NH+]1CCCC1)Cc1[nH]cc(-c2ccccc2)[nH+]1 c1ccc(cc1)[*:1] CN(CC[NH+]1CCCC1)Cc1[nH]cc([nH+]1)[*:1]
Cn1nc(C2CCC2)cc1NC(=O)N[C@H](C(N)=O)C(C)(C)C CC(C)(C)[*:1] Cn1nc(cc1NC(=O)N[C@H](C(N)=O)[*:1])C1CCC1
Cn1nc(C2CCC2)cc1NC(=O)N[C@H](C(N)=O)C(C)(C)C C1CC(C1)[*:1] Cn1nc(cc1NC(=O)N[C@H](C(N)=O)C(C)(C)C)[*:1]
Cn1nc(C2CCC2)cc1NC(=O)N[C@H](C(N)=O)C(C)(C)C NC(=O)[*:1] Cn1nc(cc1NC(=O)N[C@H](C(C)(C)C)[*:1])C1CCC1
CCCCO[C@@H]1CCC[C@]([NH2+]CC)(C(N)=O)C1 CCCC[*:1] CC[NH2+][C@@]1(CCC[C@H](C1)O[*:1])C(N)=O
CCCCO[C@@H]1CCC[C@]([NH2+]CC)(C(N)=O)C1 NC(=O)[*:1] CCCCO[C@@H]1CCC[C@@](C1)([NH2+]CC)[*:1]
CCCCO[C@@H]1CCC[C@]([NH2+]CC)(C(N)=O)C1 CCC[*:1] CC[NH2+][C@@]1(CCC[C@H](C1)OC[*:1])C(N)=O
CCCCO[C@@H]1CCC[C@]([NH2+]CC)(C(N)=O)C1 CCCCO[*:1] CC[NH2+][C@@]1(CCC[C@H](C1)[*:1])C(N)=O
O=C(Nc1nc(-c2cccc(F)c2)cs1)c1csc(-c2nc[nH]n2)n1 Fc1cccc(c1)[*:1] O=C(Nc1nc(cs1)[*:1])c1csc(n1)-c1nc[nH]n1
Cc1ccc[n+](C)c1C[C@H]1C([N+](=O)[O-])=CN=C2N=CNN21 O=[N+]([O-])[*:1] Cc1ccc[n+](C)c1C[C@H]1C(=CN=C2N=CNN21)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)Nc3cnn(CC(C)C)c3)cc12 COC(=O)[*:1] CC(C)Cn1cc(cn1)NC(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)Nc3cnn(CC(C)C)c3)cc12 CC(C)[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)Nc1cnn(c1)C[*:1]
COC(=O)c1n[nH]c2ccc(NC(=O)Nc3cnn(CC(C)C)c3)cc12 CC(C)C[*:1] COC(=O)c1n[nH]c2ccc(cc12)NC(=O)Nc1cnn(c1)[*:1]
O/C(CC1CCCCC1)=N\c1nc(-c2c[nH]c3ccccc23)cs1 C1CCC(CC1)C[*:1] O/C(=N\c1nc(cs1)-c1c[nH]c2ccccc12)[*:1]
O/C(CC1CCCCC1)=N\c1nc(-c2c[nH]c3ccccc23)cs1 C1CCC(CC1)[*:1] O/C(C[*:1])=N\c1nc(cs1)-c1c[nH]c2ccccc12
CN(C(=O)c1ccc(-n2ccnn2)cc1)c1ccnn1C Cn1nccc1[*:1] CN(C(=O)c1ccc(cc1)-n1ccnn1)[*:1]
CN(C(=O)c1ccc(-n2ccnn2)cc1)c1ccnn1C c1cn(nn1)[*:1] CN(C(=O)c1ccc(cc1)[*:1])c1ccnn1C
O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)c1cscn1 c1nc(cs1)[*:1] O=C(Nc1cccc(c1)-n1cccn1)[C@H]1CCCN1C(=O)[*:1]
O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)c1cscn1 c1cnn(c1)[*:1] O=C(Nc1cccc(c1)[*:1])[C@H]1CCCN1C(=O)c1cscn1
CCCn1ccc2cc(NC(=O)C(=O)N[C@H](C)Cc3cccs3)ccc21 c1csc(c1)C[*:1] CCCn1ccc2cc(ccc21)NC(=O)C(=O)N[C@H](C)[*:1]
CCCn1ccc2cc(NC(=O)C(=O)N[C@H](C)Cc3cccs3)ccc21 c1csc(c1)[*:1] CCCn1ccc2cc(ccc21)NC(=O)C(=O)N[C@H](C)C[*:1]
CCCn1ccc2cc(NC(=O)C(=O)N[C@H](C)Cc3cccs3)ccc21 CCC[*:1] C[C@H](Cc1cccs1)NC(=O)C(=O)Nc1ccc2c(ccn2[*:1])c1
CCc1ccc(CN(C)C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 CCc1ccc(cc1)[*:1] CN(C[*:1])C(=O)NC[C@@H]1CCCN(C1)c1ncccn1
CCc1ccc(CN(C)C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 CCc1ccc(cc1)C[*:1] CN(C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
CCc1ccc(CN(C)C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)cc1 c1cnc(nc1)[*:1] CCc1ccc(cc1)CN(C)C(=O)NC[C@@H]1CCCN(C1)[*:1]
CCn1cc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cn1 CCn1cc(cn1)[*:1] O=C(NCCC[NH+]1CCN(CC1)c1ncccn1)[*:1]
CCn1cc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cn1 c1cnc(nc1)[*:1] CCn1cc(cn1)C(=O)NCCC[NH+]1CCN(CC1)[*:1]
C[NH+](C)[C@@H](CNC(=O)NC1CCC(C)(C)CC1)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC1CCC(C)(C)CC1)[*:1]
NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 NC(=O)[*:1] O=C(c1cc(Cl)c[nH]1)N1CCC[C@H]1[*:1]
Cc1cc(C)n(CCCNC(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)n1 Cc1cc(C)n(CCC[*:1])n1 O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2)N[*:1]
Cc1cc(C)n(CCCNC(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)n1 Cc1cc(C)n(C[*:1])n1 O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2)NCC[*:1]
Cc1cc(C)n(CCCNC(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)n1 Cc1cc(C)n(n1)[*:1] O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2)NCCC[*:1]
Cc1cc(C)n(CCCNC(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)n1 Cc1cc(C)n(CC[*:1])n1 O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2)NC[*:1]
N#CCCN(CCC(F)(F)F)C(=O)c1ccc(Cl)c(Cl)c1 N#CCC[*:1] O=C(c1ccc(Cl)c(Cl)c1)N(CCC(F)(F)F)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)c1ccc(Cl)c(Cl)c1 N#CC[*:1] O=C(c1ccc(Cl)c(Cl)c1)N(CCC(F)(F)F)C[*:1]
N#CCCN(CCC(F)(F)F)C(=O)c1ccc(Cl)c(Cl)c1 FC(F)(F)[*:1] N#CCCN(CC[*:1])C(=O)c1ccc(Cl)c(Cl)c1
N#CCCN(CCC(F)(F)F)C(=O)c1ccc(Cl)c(Cl)c1 FC(F)(F)CC[*:1] N#CCCN(C(=O)c1ccc(Cl)c(Cl)c1)[*:1]
N#CCCN(CCC(F)(F)F)C(=O)c1ccc(Cl)c(Cl)c1 FC(F)(F)C[*:1] N#CCCN(C[*:1])C(=O)c1ccc(Cl)c(Cl)c1
O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(Cn1nnc2ccccc2c1=O)N[*:1]
Cc1c([C@@H]2CC(=O)NC(=O)[C@@H]2CC(C)C)cnn1C CC(C)[*:1] Cc1c(cnn1C)[C@@H]1CC(=O)NC(=O)[C@@H]1C[*:1]
Cc1c([C@@H]2CC(=O)NC(=O)[C@@H]2CC(C)C)cnn1C CC(C)C[*:1] Cc1c(cnn1C)[C@@H]1CC(=O)NC(=O)[C@H]1[*:1]
COc1ccc(N2C[C@H](C(=O)Nc3ccccc3-c3nc(-c4ccccc4)no3)CC2=O)cc1 c1ccc(cc1)-c1noc(n1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1[*:1]
COc1ccc(N2C[C@H](C(=O)Nc3ccccc3-c3nc(-c4ccccc4)no3)CC2=O)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)Nc1ccccc1-c1nc(no1)[*:1]
COc1ccc(N2C[C@H](C(=O)Nc3ccccc3-c3nc(-c4ccccc4)no3)CC2=O)cc1 COc1ccc(cc1)[*:1] O=C(Nc1ccccc1-c1nc(no1)-c1ccccc1)[C@@H]1CC(=O)N(C1)[*:1]
Cc1ccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)S(C)(=O)=O)cc1C Cc1ccc(cc1C)[*:1] CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2)[*:1]
COCc1cccc2c1C(=O)CC2 COC[*:1] O=C1CCc2cccc(c21)[*:1]
CCN[C@]1(C#N)CC[C@@H](n2ncc3ccccc32)C1 CCN[*:1] N#C[C@@]1(CC[C@H](C1)n1ncc2ccccc21)[*:1]
COc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCCC3)o2)c(OC)c1 O=C(N1CCCC1)[*:1] COc1ccc(-c2nnc(o2)S[C@@H](C)[*:1])c(c1)OC
CCC[NH2+][C@@H](C)Cc1nc(-c2cc(F)cc(Br)c2)no1 CCC[*:1] C[C@@H](Cc1nc(no1)-c1cc(F)cc(Br)c1)[NH2+][*:1]
CN(CCOCC1CC1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 C1CC1CO[*:1] CN(CC[*:1])C(=O)N1CC[C@@](C)(C1)C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 C1CC1C[*:1] CN(CCO[*:1])C(=O)N1CC[C@@](C)(C1)C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 O=C([O-])[*:1] CN(CCOCC1CC1)C(=O)N1CC[C@](C)(C1)[*:1]
CN(CCOCC1CC1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 C1CC1COC[*:1] CN(C[*:1])C(=O)N1CC[C@@](C)(C1)C(=O)[O-]
CN(CCOCC1CC1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 C1CC1[*:1] CN(CCOC[*:1])C(=O)N1CC[C@@](C)(C1)C(=O)[O-]
O=C(NCc1cccnc1)[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1 c1cncc(c1)C[*:1] O=C(N[*:1])[C@H]1CC[C@H](c2ccccc2)N(C1)C(=O)c1ccc(Cl)cc1
O=C(NCc1cccnc1)[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1 c1cncc(c1)[*:1] O=C(NC[*:1])[C@H]1CC[C@H](c2ccccc2)N(C1)C(=O)c1ccc(Cl)cc1
O=C(NCc1cccnc1)[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1 c1ccc(cc1)[*:1] O=C(NCc1cccnc1)[C@H]1CC[C@H](N(C1)C(=O)c1ccc(Cl)cc1)[*:1]
O=C(NCc1cccnc1)[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1 O=C(NCc1cccnc1)[*:1] O=C(c1ccc(Cl)cc1)N1C[C@H](CC[C@@H]1c1ccccc1)[*:1]
O=C(NCc1cccnc1)[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(NCc1cccnc1)[C@H]1CC[C@H](c2ccccc2)N(C1)C(=O)[*:1]
CCCc1nn(C)c2c1nc(N)n2Cc1cc(C)no1 Cc1cc(on1)[*:1] CCCc1nn(C)c2c1nc(N)n2C[*:1]
CCCc1nn(C)c2c1nc(N)n2Cc1cc(C)no1 CCC[*:1] Cc1cc(Cn2c(N)nc3c(nn(C)c32)[*:1])on1
CNC(=O)c1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1 CNC(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccccc1OCc1cccc(Br)c1
CNC(=O)c1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1 Brc1cccc(c1)CO[*:1] CNC(=O)c1ccc(cc1)NC(=O)c1ccccc1[*:1]
CNC(=O)c1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] CNC(=O)c1ccc(cc1)NC(=O)c1ccccc1OC[*:1]
CNC(=O)c1ccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1 Brc1cccc(c1)C[*:1] CNC(=O)c1ccc(cc1)NC(=O)c1ccccc1O[*:1]
CC1(C)NC(=O)N(CCCNC(=O)C(C)(C)c2ccccc2)C1=O c1ccc(cc1)[*:1] CC1(C)NC(=O)N(CCCNC(=O)C(C)(C)[*:1])C1=O
O=C(Nc1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] O=C(Nc1ccccc1F)N1CCN(CC1)[*:1]
O=C(Nc1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(Nc1ccccc1F)N1CCN(CC1)C[*:1]
O=C(Nc1ccccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1 Fc1ccccc1[*:1] O=C(N[*:1])N1CCN(CC1)Cc1ccc(Cl)cc1
Cc1cc(C)cc(OCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 O=[N+]([O-])[*:1] Cc1cc(C)cc(c1)OCCNC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
Cc1cc(C)cc(OCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCCO[*:1])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
CCc1nc2n(n1)CCC[C@H]2NC(=O)NC(C)(C)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1nc2[C@@H](CCCn2n1)NC(=O)NC(C)(C)[*:1]
CCOc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 CCOc1ccc(cc1)[*:1] O=C(Nc1nnc(o1)-c1ccc2OCCOc2c1)[*:1]
CCOc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 CCO[*:1] O=C(Nc1nnc(o1)-c1ccc2OCCOc2c1)c1ccc(cc1)[*:1]
COc1ccc(CN(C)C(=O)CSc2nc(-c3cccs3)n[nH]2)cc1 COc1ccc(cc1)[*:1] CN(C[*:1])C(=O)CSc1nc(n[nH]1)-c1cccs1
COc1ccc(CN(C)C(=O)CSc2nc(-c3cccs3)n[nH]2)cc1 c1csc(c1)[*:1] COc1ccc(cc1)CN(C)C(=O)CSc1nc(n[nH]1)[*:1]
CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)CC2)CC1 Cc1nc(no1)[*:1] CCN1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1cc(cs1)[*:1]
CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)CC2)CC1 CCN1CCN(CC1)C(=O)[*:1] Cc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC(CC1)[*:1]
COC(=O)c1cccc(NC(=O)N2CC[C@H](C)[C@H](O)C2)c1 COC(=O)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)Nc1cccc(c1)[*:1]
O=C(c1cnccn1)N1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(c1cnccn1)N1CCC(CC1)CNS(=O)(=O)C[*:1]
O=C(c1cnccn1)N1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 Clc1ccccc1C[*:1] O=C(c1cnccn1)N1CCC(CC1)CNS(=O)(=O)[*:1]
O=C(c1cnccn1)N1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 c1cnc(cn1)[*:1] O=C(N1CCC(CC1)CNS(=O)(=O)Cc1ccccc1Cl)[*:1]
COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc(C)c(C)c3)nc2c1 C1CN(CCO1)[*:1] COc1ccc2sc(nc2c1)N(CCC[*:1])C(=O)c1ccc(C)c(C)c1
COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc(C)c(C)c3)nc2c1 Cc1ccc(cc1C)[*:1] COc1ccc2sc(nc2c1)N(CCCN1CCOCC1)C(=O)[*:1]
COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc(C)c(C)c3)nc2c1 C1CN(CCO1)C[*:1] COc1ccc2sc(nc2c1)N(CC[*:1])C(=O)c1ccc(C)c(C)c1
COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc(C)c(C)c3)nc2c1 C1CN(CCO1)CC[*:1] COc1ccc2sc(nc2c1)N(C[*:1])C(=O)c1ccc(C)c(C)c1
COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc(C)c(C)c3)nc2c1 C(CN1CCOCC1)C[*:1] COc1ccc2sc(nc2c1)N(C(=O)c1ccc(C)c(C)c1)[*:1]
COc1ccc2c(c1)[C@](O)(Cc1csc(C)n1)CC2 Cc1nc(cs1)[*:1] COc1ccc2CC[C@@](O)(C[*:1])c2c1
O=C1C[C@@H](c2ccccc2)N1CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 c1ccc(cc1)[*:1] O=C1C[C@@H](N1CN1CCN(CC1)S(=O)(=O)c1cccc(Br)c1)[*:1]
O=C1C[C@@H](c2ccccc2)N1CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 Brc1cccc(c1)[*:1] O=C1C[C@@H](c2ccccc2)N1CN1CCN(CC1)S(=O)(=O)[*:1]
O=C(CNC(=O)C1CCCC1)NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] O=C(CNC(=O)C1CCCC1)NCC1(CCCCC1)C[*:1]
O=C(CNC(=O)C1CCCC1)NCC1(CN2CCOCC2)CCCCC1 C1CCC(C1)[*:1] O=C(CNC(=O)[*:1])NCC1(CCCCC1)CN1CCOCC1
O=C(CNC(=O)C1CCCC1)NCC1(CN2CCOCC2)CCCCC1 O=C(N[*:1])C1CCCC1 O=C(C[*:1])NCC1(CCCCC1)CN1CCOCC1
O=C(CNC(=O)C1CCCC1)NCC1(CN2CCOCC2)CCCCC1 C1CN(CCO1)C[*:1] O=C(CNC(=O)C1CCCC1)NCC1(CCCCC1)[*:1]
Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)s2)c1NC(=O)C1CC1 C1CC1[*:1] Cc1noc(/C=C/c2ccc(s2)S(=O)(=O)[N-]c2cccc(C#N)c2)c1NC(=O)[*:1]
Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)s2)c1NC(=O)C1CC1 O=C(N[*:1])C1CC1 Cc1noc(/C=C/c2ccc(s2)S(=O)(=O)[N-]c2cccc(C#N)c2)c1[*:1]
Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)s2)c1NC(=O)C1CC1 N#Cc1cccc(c1)[*:1] Cc1noc(/C=C/c2ccc(s2)S(=O)(=O)[N-][*:1])c1NC(=O)C1CC1
CC(C)[C@@H]1N=N/C(=N\C(=O)c2cccc3c2ccn3C)S1 CC(C)[*:1] Cn1ccc2c(cccc21)C(=O)/N=C1\N=N[C@H](S1)[*:1]
CC(C)C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O Clc1cccc(c1)[*:1] CC(C)C[C@@H](C(=O)N[*:1])N1C(=O)c2ccccc2C1=O
CC(C)C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O CC(C)C[*:1] O=C(Nc1cccc(Cl)c1)[C@@H](N1C(=O)c2ccccc2C1=O)[*:1]
CC(C)C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O CC(C)[*:1] O=C(Nc1cccc(Cl)c1)[C@H](C[*:1])N1C(=O)c2ccccc2C1=O
CC(C)N1C[C@@H](C(=O)N(Cc2cccs2)C[C@H]2CCCO2)CC1=O C1CO[C@H](C1)[*:1] CC(C)N1C[C@H](CC1=O)C(=O)N(Cc1cccs1)C[*:1]
CC(C)N1C[C@@H](C(=O)N(Cc2cccs2)C[C@H]2CCCO2)CC1=O c1csc(c1)C[*:1] CC(C)N1C[C@H](CC1=O)C(=O)N(C[C@H]1CCCO1)[*:1]
CC(C)N1C[C@@H](C(=O)N(Cc2cccs2)C[C@H]2CCCO2)CC1=O C1CO[C@H](C1)C[*:1] CC(C)N1C[C@H](CC1=O)C(=O)N(Cc1cccs1)[*:1]
CC(C)N1C[C@@H](C(=O)N(Cc2cccs2)C[C@H]2CCCO2)CC1=O c1csc(c1)[*:1] CC(C)N1C[C@H](CC1=O)C(=O)N(C[C@H]1CCCO1)C[*:1]
CC(C)N1C[C@@H](C(=O)N(Cc2cccs2)C[C@H]2CCCO2)CC1=O CC(C)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N(Cc1cccs1)C[C@H]1CCCO1
C[C@H]([NH2+]CC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] C[C@H]([NH2+]C[*:1])c1ccccc1
C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)C(C)(C)C CC(C)(C)[*:1] CC(=NNC(=O)C(c1ccccc1)c1ccccc1)[*:1]
C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)C(C)(C)C c1ccc(cc1)[*:1] C/C(=N\NC(=O)C(c1ccccc1)[*:1])C(C)(C)C
O=C(N[C@]1(C(F)(F)F)N=C([O-])N(c2ccc(F)c(Cl)c2)C1=O)c1ccncc1 O=C(N[*:1])c1ccncc1 O=C1N(C([O-])=N[C@]1(C(F)(F)F)[*:1])c1ccc(F)c(Cl)c1
O=C(N[C@]1(C(F)(F)F)N=C([O-])N(c2ccc(F)c(Cl)c2)C1=O)c1ccncc1 FC(F)(F)[*:1] O=C(N[C@@]1(N=C([O-])N(C1=O)c1ccc(F)c(Cl)c1)[*:1])c1ccncc1
O=C(N[C@]1(C(F)(F)F)N=C([O-])N(c2ccc(F)c(Cl)c2)C1=O)c1ccncc1 c1cc(ccn1)[*:1] O=C1N(C([O-])=N[C@]1(NC(=O)[*:1])C(F)(F)F)c1ccc(F)c(Cl)c1
O=C(N[C@]1(C(F)(F)F)N=C([O-])N(c2ccc(F)c(Cl)c2)C1=O)c1ccncc1 Fc1ccc(cc1Cl)[*:1] O=C(N[C@@]1(N=C([O-])N(C1=O)[*:1])C(F)(F)F)c1ccncc1
Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])c2c(C)noc2n1 O=C([O-])[*:1] Cc1cc(C(=O)N2CCC[C@@H]2[*:1])c2c(C)noc2n1
Cc1c(Br)cccc1[C@@H](Cl)[C@@H](C)c1ccccn1 c1ccc(nc1)[*:1] Cc1c(Br)cccc1[C@@H](Cl)[C@@H](C)[*:1]
O=C(COC[C@@H]1CCCO1)N[C@H]1CCC[C@@H]1Cc1ccccc1 C1CO[C@@H](C1)CO[*:1] O=C(C[*:1])N[C@H]1CCC[C@@H]1Cc1ccccc1
O=C(COC[C@@H]1CCCO1)N[C@H]1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C(COC[C@@H]1CCCO1)N[C@H]1CCC[C@@H]1C[*:1]
O=C(COC[C@@H]1CCCO1)N[C@H]1CCC[C@@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] O=C(COC[C@@H]1CCCO1)N[C@H]1CCC[C@H]1[*:1]
O=C(COC[C@@H]1CCCO1)N[C@H]1CCC[C@@H]1Cc1ccccc1 C1CO[C@@H](C1)C[*:1] O=C(CO[*:1])N[C@H]1CCC[C@@H]1Cc1ccccc1
O=C(COC[C@@H]1CCCO1)N[C@H]1CCC[C@@H]1Cc1ccccc1 C1CO[C@@H](C1)[*:1] O=C(COC[*:1])N[C@H]1CCC[C@@H]1Cc1ccccc1
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@H]2NN=C(C3CC3)O2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)[C@H](C)S[C@H]2NN=C(O2)C2CC2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@H]2NN=C(C3CC3)O2)c1C C1CC1[*:1] CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@H]2NN=C(O2)[*:1])c1C
COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1ccc2cc[nH]c2c1 COC(=O)[C@@H](C)NC(=O)[*:1] O=C(Nc1cc(F)ccc1[*:1])c1ccc2cc[nH]c2c1
COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1ccc2cc[nH]c2c1 COC(=O)[*:1] C[C@@H](NC(=O)c1ccc(F)cc1NC(=O)c1ccc2cc[nH]c2c1)[*:1]
COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1ccc2cc[nH]c2c1 c1cc2ccc(cc2[nH]1)[*:1] COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)[*:1]
Cc1cc(C(=O)NC[C@@H](C)C#N)ccc1NC(=O)CC(C)C CC(C)CC(=O)N[*:1] Cc1cc(ccc1[*:1])C(=O)NC[C@@H](C)C#N
Cc1cc(C(=O)NC[C@@H](C)C#N)ccc1NC(=O)CC(C)C CC(C)[*:1] Cc1cc(ccc1NC(=O)C[*:1])C(=O)NC[C@@H](C)C#N
Cc1cc(C(=O)NC[C@@H](C)C#N)ccc1NC(=O)CC(C)C CC(C)C[*:1] Cc1cc(ccc1NC(=O)[*:1])C(=O)NC[C@@H](C)C#N
CS(=O)(=O)N[C@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 CS(=O)(=O)N[*:1] c1ccc(cc1)-c1cnc(CN2CC[C@@H](C2)[*:1])s1
CS(=O)(=O)N[C@H]1CCN(Cc2ncc(-c3ccccc3)s2)C1 c1ccc(cc1)[*:1] CS(=O)(=O)N[C@H]1CCN(Cc2ncc(s2)[*:1])C1
COc1ccc([C@@H]2CC(=O)c3cn4nc(C)c(-c5ccc(OC)c(OC)c5)c4nc3C2)c(OC)c1 COc1ccc(cc1OC)[*:1] COc1ccc(c(c1)OC)[C@@H]1CC(=O)c2cn3nc(C)c(c3nc2C1)[*:1]
COc1ccc([C@@H]2CC(=O)c3cn4nc(C)c(-c5ccc(OC)c(OC)c5)c4nc3C2)c(OC)c1 COc1ccc(c(c1)OC)[*:1] COc1ccc(cc1OC)-c1c(C)nn2cc3C(=O)C[C@H](Cc3nc12)[*:1]
O=C(C1CC1)N1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1 C1CC1[*:1] O=C(N1CCC(CC1)NS(=O)(=O)Cc1ccc(F)cc1)[*:1]
O=C(C1CC1)N1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C(C1CC1)N1CCC(CC1)NS(=O)(=O)C[*:1]
CC(C)OC[C@H](O)C[C@H](C)c1ccccc1 CC(C)O[*:1] C[C@@H](C[C@@H](O)C[*:1])c1ccccc1
CC(C)OC[C@H](O)C[C@H](C)c1ccccc1 CC(C)OC[*:1] C[C@@H](C[C@@H](O)[*:1])c1ccccc1
CC(C)OC[C@H](O)C[C@H](C)c1ccccc1 CC(C)[*:1] C[C@@H](C[C@@H](O)CO[*:1])c1ccccc1
O=C1CC[C@@](CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)(Cc2ccc(F)cc2)N1 Fc1ccc(cc1)[*:1] O=C1CC[C@@](CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)(C[*:1])N1
O=C1CC[C@@](CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)(Cc2ccc(F)cc2)N1 Fc1ccc(cc1)C[*:1] O=C1CC[C@@](CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)(N1)[*:1]
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C)C(C)C CC(C)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)N(C)[*:1])N1CCOCC1
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C)C(C)C C1CN(CCO1)[*:1] Cc1nc([nH]c(=O)c1CCC(=O)N(C)C(C)C)[*:1]
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C)C(C)C CC(C)N(C)C(=O)[*:1] Cc1nc([nH]c(=O)c1CC[*:1])N1CCOCC1
CC[C@@H](NC(=O)CNc1ccc(Cl)cc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](NC(=O)CNc1ccc(Cl)cc1Cl)[*:1]
CNC(=O)[C@@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1S(C)(=O)=O c1ccc(cc1)[*:1] CNC(=O)[C@@H]1CN(CCN1S(C)(=O)=O)CCS(=O)(=O)[*:1]
CNC(=O)[C@@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1S(C)(=O)=O CNC(=O)[*:1] CS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccccc2)C[C@H]1[*:1]
O=C(/C=C/c1ccco1)N(Cc1cccs1)Cc1cccs1 c1csc(c1)[*:1] O=C(/C=C/c1ccco1)N(Cc1cccs1)C[*:1]
O=C(/C=C/c1ccco1)N(Cc1cccs1)Cc1cccs1 C(=C[*:1])c1ccco1 O=C(N(Cc1cccs1)Cc1cccs1)[*:1]
O=C(/C=C/c1ccco1)N(Cc1cccs1)Cc1cccs1 c1coc(c1)[*:1] O=C(C=C[*:1])N(Cc1cccs1)Cc1cccs1
O=C(/C=C/c1ccco1)N(Cc1cccs1)Cc1cccs1 c1csc(c1)C[*:1] O=C(/C=C/c1ccco1)N(Cc1cccs1)[*:1]
CN1C[C@H]2CC[C@@H](CC1=O)N2C(=O)CN1C(=O)CNC1=O O=C1CNC(=O)N1[*:1] CN1C[C@H]2CC[C@@H](CC1=O)N2C(=O)C[*:1]
CCC[NH2+][C@H]([C@@H]1CCc2cccnc21)[C@@H]1CSCCS1 CCC[*:1] c1cnc2c(c1)CC[C@H]2[C@@H]([NH2+][*:1])[C@@H]1CSCCS1
O=C(Cc1noc2ccccc12)O[C@H](c1ccccc1)c1nccs1 c1csc(n1)[*:1] O=C(Cc1noc2ccccc12)O[C@H](c1ccccc1)[*:1]
O=C(Cc1noc2ccccc12)O[C@H](c1ccccc1)c1nccs1 c1ccc(cc1)[*:1] O=C(Cc1noc2ccccc12)O[C@H](c1nccs1)[*:1]
CCn1cc(C(=O)N(C)[C@@H](C)c2ccncc2)cn1 c1cc(ccn1)[*:1] CCn1cc(cn1)C(=O)N(C)[C@@H](C)[*:1]
CN(C(=O)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1)C1CC1 CN(C(=O)C[*:1])C1CC1 NC(=O)c1cc(ccn1)OC1CC[NH+](CC1)[*:1]
CN(C(=O)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1)C1CC1 CN(C(=O)[*:1])C1CC1 NC(=O)c1cc(ccn1)OC1CC[NH+](CC1)C[*:1]
CN(C(=O)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1)C1CC1 NC(=O)[*:1] CN(C(=O)C[NH+]1CCC(CC1)Oc1ccnc(c1)[*:1])C1CC1
CN(C(=O)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1)C1CC1 C1CC1[*:1] CN(C(=O)C[NH+]1CCC(CC1)Oc1ccnc(c1)C(N)=O)[*:1]
Cc1nc(-c2cccs2)c(CC(=O)NCc2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] Cc1nc(-c2cccs2)c(CC(=O)NC[*:1])s1
Cc1nc(-c2cccs2)c(CC(=O)NCc2ccc(F)cc2)s1 c1csc(c1)[*:1] Cc1nc(c(CC(=O)NCc2ccc(F)cc2)s1)[*:1]
Cn1cccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1=O O=C(N[*:1])C1CC1 Cn1cccc(NC(=O)c2cccc(c2)[*:1])c1=O
Cn1cccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1=O C1CC1[*:1] Cn1cccc(NC(=O)c2cccc(c2)NC(=O)[*:1])c1=O
Cc1noc(C2CCN(C(=O)[C@@H](C)c3ccc(Cl)c(Cl)c3)CC2)n1 Clc1ccc(cc1Cl)[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)[C@@H](C)[*:1]
Cc1noc(C2CCN(C(=O)[C@@H](C)c3ccc(Cl)c(Cl)c3)CC2)n1 Cc1noc(n1)[*:1] C[C@H](C(=O)N1CCC(CC1)[*:1])c1ccc(Cl)c(Cl)c1
COc1cccc(OC)c1OC1CCN(c2nccn(CC(C)C)c2=O)CC1 CC(C)[*:1] COc1cccc(OC)c1OC1CCN(CC1)c1nccn(C[*:1])c1=O
COc1cccc(OC)c1OC1CCN(c2nccn(CC(C)C)c2=O)CC1 CC(C)C[*:1] COc1cccc(OC)c1OC1CCN(CC1)c1nccn(c1=O)[*:1]
Cc1cc(CN2CC[C@]3(CCCO3)CCC2=O)on1 Cc1cc(on1)[*:1] O=C1CC[C@@]2(CCCO2)CCN1C[*:1]
Cc1n[nH]c2cc(NC(=O)[C@@H](C)NC(=O)C3CCCCC3)ccc12 C1CCC(CC1)[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[C@@H](C)NC(=O)[*:1]
c1ncn(C[C@H]2CN(CC3CCCC3)CCO2)n1 c1ncn(C[*:1])n1 C1CCC(C1)CN1CCO[C@H](C1)[*:1]
c1ncn(C[C@H]2CN(CC3CCCC3)CCO2)n1 c1ncn(n1)[*:1] C1CCC(C1)CN1CCO[C@H](C1)C[*:1]
c1ncn(C[C@H]2CN(CC3CCCC3)CCO2)n1 C1CCC(C1)C[*:1] c1ncn(C[C@H]2CN(CCO2)[*:1])n1
c1ncn(C[C@H]2CN(CC3CCCC3)CCO2)n1 C1CCC(C1)[*:1] c1ncn(C[C@H]2CN(CCO2)C[*:1])n1
Cc1ccc(C)c([C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)[C@H](C)CO2)c1 Cc1ccc(C)c(c1)[*:1] C[C@@H]1CO[C@@H](CN1C(=O)[C@@H]1CN(C)CCO1)[*:1]
Cc1ccc(C)c([C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)[C@H](C)CO2)c1 CN1CCO[C@@H](C1)[*:1] Cc1ccc(C)c(c1)[C@@H]1CN(C(=O)[*:1])[C@H](C)CO1
O=C([O-])[C@@H]1CN(Cc2ccccc2)c2ccccc2O1 O=C([O-])[*:1] c1ccc(cc1)CN1C[C@H](Oc2ccccc21)[*:1]
O=C([O-])[C@@H]1CN(Cc2ccccc2)c2ccccc2O1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1CN(C[*:1])c2ccccc2O1
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc([N+](=O)[O-])c1 CC[C@@H](C)[*:1] O=C(C[C@@H]1C(=O)NCCN1C(=O)c1cccc(c1)[N+](=O)[O-])O[*:1]
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc([N+](=O)[O-])c1 CC[C@@H](C)OC(=O)C[*:1] O=C1NCCN(C(=O)c2cccc(c2)[N+](=O)[O-])[C@@H]1[*:1]
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc([N+](=O)[O-])c1 CC[C@@H](C)OC(=O)[*:1] O=C1NCCN(C(=O)c2cccc(c2)[N+](=O)[O-])[C@@H]1C[*:1]
CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(c1)[*:1]
O=C(CC1CC1)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 c1ccc(cc1)[*:1] O=C(CC1CC1)N[C@@H]1CCCc2nc(ncc21)[*:1]
O=C(CC1CC1)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 C1CC1C[*:1] O=C(N[C@@H]1CCCc2nc(ncc21)-c1ccccc1)[*:1]
O=C(CC1CC1)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 O=C(CC1CC1)N[*:1] c1ccc(cc1)-c1ncc2c(CCC[C@H]2[*:1])n1
O=C(CC1CC1)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 C1CC1[*:1] O=C(C[*:1])N[C@@H]1CCCc2nc(ncc21)-c1ccccc1
C[C@@H]1CN(C(=O)c2nc(C3CC3)n3ccccc23)CCN1CC(F)(F)F FC(F)(F)[*:1] C[C@@H]1CN(CCN1C[*:1])C(=O)c1nc(C2CC2)n2ccccc12
C[C@@H]1CN(C(=O)c2nc(C3CC3)n3ccccc23)CCN1CC(F)(F)F C1CC1[*:1] C[C@@H]1CN(CCN1CC(F)(F)F)C(=O)c1nc(n2ccccc12)[*:1]
C[C@@H]1CN(C(=O)c2nc(C3CC3)n3ccccc23)CCN1CC(F)(F)F FC(F)(F)C[*:1] C[C@@H]1CN(CCN1[*:1])C(=O)c1nc(C2CC2)n2ccccc12
Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)on1 C1CC1[*:1] Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2[*:1])on1
Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)on1 c1cc(ccn1)[*:1] Cc1cc(NC(=O)CSc2nnc(n2C2CC2)[*:1])on1
Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)on1 Cc1cc(on1)[*:1] O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N[*:1]
CCCC[C@@H](COC)NC(=O)Nc1ccc2c(c1)oc(=O)n2C COC[*:1] CCCC[C@@H](NC(=O)Nc1ccc2c(c1)oc(=O)n2C)[*:1]
CCCC[C@@H](COC)NC(=O)Nc1ccc2c(c1)oc(=O)n2C CCC[*:1] COC[C@H](C[*:1])NC(=O)Nc1ccc2c(c1)oc(=O)n2C
CCCC[C@@H](COC)NC(=O)Nc1ccc2c(c1)oc(=O)n2C CCCC[*:1] COC[C@@H](NC(=O)Nc1ccc2c(c1)oc(=O)n2C)[*:1]
O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(N2CCCS2(=O)=O)cc1 O=S1(=O)CCCN1[*:1] O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(cc1)[*:1]
O=C(NCc1ccc(-n2ccnc2)nc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 c1cn(cn1)[*:1] O=C(NCc1ccc(nc1)[*:1])N1CCC[C@@H](C1)c1[nH]cc[nH+]1
COc1ccc(CCC(=O)N/N=C/c2c(C)nn(-c3ccc(C)cc3C)c2C)c(O)c1 Cc1ccc(c(C)c1)[*:1] COc1ccc(CCC(=O)N/N=C/c2c(C)nn(c2C)[*:1])c(O)c1
COc1ccc(CCC(=O)N/N=C/c2c(C)nn(-c3ccc(C)cc3C)c2C)c(O)c1 COc1ccc(c(O)c1)[*:1] Cc1ccc(c(C)c1)-n1nc(C)c(/C=N/NC(=O)CC[*:1])c1C
COc1ccc(CCC(=O)N/N=C/c2c(C)nn(-c3ccc(C)cc3C)c2C)c(O)c1 COc1ccc(C[*:1])c(O)c1 Cc1ccc(c(C)c1)-n1nc(C)c(/C=N/NC(=O)C[*:1])c1C
CCN(Cc1cccc(NC(=O)C[C@H]2CCCO2)c1)C(=O)C(F)(F)F C1CO[C@H](C1)C[*:1] CCN(Cc1cccc(c1)NC(=O)[*:1])C(=O)C(F)(F)F
CCN(Cc1cccc(NC(=O)C[C@H]2CCCO2)c1)C(=O)C(F)(F)F FC(F)(F)[*:1] CCN(Cc1cccc(c1)NC(=O)C[C@H]1CCCO1)C(=O)[*:1]
Cc1n[nH]c(-c2ccc(NC(=O)C(=O)NCc3ccccc3)cc2)n1 Cc1n[nH]c(n1)[*:1] O=C(NCc1ccccc1)C(=O)Nc1ccc(cc1)[*:1]
Cc1n[nH]c(-c2ccc(NC(=O)C(=O)NCc3ccccc3)cc2)n1 c1ccc(cc1)[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NC(=O)C(=O)NC[*:1]
Cc1n[nH]c(-c2ccc(NC(=O)C(=O)NCc3ccccc3)cc2)n1 c1ccc(cc1)C[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)NC(=O)C(=O)N[*:1]
C[C@@H]1CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 NC(=O)N[*:1] C[C@@H]1CCCN(CC1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccc(-c2csnn2)cc1 c1csc(c1)C[*:1] C[C@H](N(C)C(=O)Nc1ccc(cc1)-c1csnn1)[*:1]
C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccc(-c2csnn2)cc1 c1csc(c1)[*:1] C[C@H](C[*:1])N(C)C(=O)Nc1ccc(cc1)-c1csnn1
C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccc(-c2csnn2)cc1 c1snnc1[*:1] C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)CCc3ccc(C)cc3)C2)c1 CCOC(=O)[*:1] Cc1ccc(cc1)CCC(=O)N1CCC[C@H](C1)n1cc(cn1)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)CCc3ccc(C)cc3)C2)c1 Cc1ccc(cc1)C[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)C[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)CCc3ccc(C)cc3)C2)c1 Cc1ccc(cc1)CC[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)[*:1]
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)CCc3ccc(C)cc3)C2)c1 Cc1ccc(cc1)[*:1] CCOC(=O)c1cnn(c1)[C@@H]1CCCN(C1)C(=O)CC[*:1]
CC[C@@H](C)C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 Fc1ccccc1[*:1] CC[C@@H](C)C(=O)NCC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
C=CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 C=CC[*:1] O=C(N[*:1])/C(=C/c1cccc(c1)[N+](=O)[O-])NC(=O)c1ccco1
C=CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 C=CCNC(=O)C(=Cc1cccc(c1)[N+](=O)[O-])[*:1]
C=CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 c1coc(c1)[*:1] C=CCNC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])NC(=O)[*:1]
C=CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 C=CCNC(=O)[*:1] O=C(N/C(=C\c1cccc(c1)[N+](=O)[O-])[*:1])c1ccco1
C=CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 O=[N+]([O-])[*:1] C=CCNC(=O)/C(=C/c1cccc(c1)[*:1])NC(=O)c1ccco1
C#CC[C@@H](NC(=O)c1cc(CC(C)C)n[nH]1)C(N)=O CC(C)C[*:1] C#CC[C@@H](NC(=O)c1cc(n[nH]1)[*:1])C(N)=O
C#CC[C@@H](NC(=O)c1cc(CC(C)C)n[nH]1)C(N)=O CC(C)[*:1] C#CC[C@@H](NC(=O)c1cc(C[*:1])n[nH]1)C(N)=O
C#CC[C@@H](NC(=O)c1cc(CC(C)C)n[nH]1)C(N)=O C#CC[*:1] CC(C)Cc1cc([nH]n1)C(=O)N[C@@H](C(N)=O)[*:1]
C#CC[C@@H](NC(=O)c1cc(CC(C)C)n[nH]1)C(N)=O NC(=O)[*:1] C#CC[C@@H](NC(=O)c1cc(CC(C)C)n[nH]1)[*:1]
COc1cccc(C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)c1 CS(=O)(=O)N[*:1] COc1cccc(c1)C(=O)N1CCCC[C@H]1CC[*:1]
COc1cccc(C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)c1 CS(=O)(=O)NCC[*:1] COc1cccc(c1)C(=O)N1CCCC[C@@H]1[*:1]
COc1cccc(C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)c1 CS(=O)(=O)NC[*:1] COc1cccc(c1)C(=O)N1CCCC[C@H]1C[*:1]
CCc1ccc([C@@H](COC)NC(=O)[C@H]2CN(C)CCO2)o1 CCc1ccc(o1)[*:1] COC[C@@H](NC(=O)[C@H]1CN(C)CCO1)[*:1]
CCc1ccc([C@@H](COC)NC(=O)[C@H]2CN(C)CCO2)o1 CN1CCO[C@H](C1)[*:1] CCc1ccc(o1)[C@@H](COC)NC(=O)[*:1]
CCc1ccc([C@@H](COC)NC(=O)[C@H]2CN(C)CCO2)o1 COC[*:1] CCc1ccc(o1)[C@@H](NC(=O)[C@H]1CN(C)CCO1)[*:1]
CN1CC[C@H](CNC(=O)c2cccc(NC(N)=O)c2)c2ccccc21 NC(=O)N[*:1] CN1CC[C@H](CNC(=O)c2cccc(c2)[*:1])c2ccccc21
COCc1ccccc1CNC(=O)CN1CCCc2ccccc21 COC[*:1] O=C(CN1CCCc2ccccc21)NCc1ccccc1[*:1]
C[C@@H]1CN(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)CCO1 Fc1ccc(cc1)C[*:1] C[C@@H]1CN(CCO1)S(=O)(=O)N1CCC(CC1)O[*:1]
C[C@@H]1CN(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)CCO1 Fc1ccc(cc1)[*:1] C[C@@H]1CN(CCO1)S(=O)(=O)N1CCC(CC1)OC[*:1]
CCNC(=O)c1ccc(OC(=O)c2cccc(-c3nnc(C)o3)c2)cc1 Cc1nnc(o1)[*:1] CCNC(=O)c1ccc(cc1)OC(=O)c1cccc(c1)[*:1]
CCNC(=O)c1ccc(OC(=O)c2cccc(-c3nnc(C)o3)c2)cc1 CCNC(=O)[*:1] Cc1nnc(o1)-c1cccc(c1)C(=O)Oc1ccc(cc1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ncoc3[C@H]3CCCO3)CC2)cc1 CCOc1ccc(cc1)[*:1] O=C(c1ncoc1[C@H]1CCCO1)N1CC=C(CC1)[*:1]
CCOc1ccc(C2=CCN(C(=O)c3ncoc3[C@H]3CCCO3)CC2)cc1 CCO[*:1] O=C(c1ncoc1[C@H]1CCCO1)N1CC=C(CC1)c1ccc(cc1)[*:1]
COCC[C@@H](C)C(=O)N1CCN(c2ncnc3ccsc23)CC1 COCC[C@@H](C)[*:1] O=C(N1CCN(CC1)c1ncnc2ccsc12)[*:1]
COCC[C@@H](C)C(=O)N1CCN(c2ncnc3ccsc23)CC1 COC[*:1] C[C@H](C[*:1])C(=O)N1CCN(CC1)c1ncnc2ccsc12
COCC[C@@H](C)C(=O)N1CCN(c2ncnc3ccsc23)CC1 COCC[*:1] C[C@@H](C(=O)N1CCN(CC1)c1ncnc2ccsc12)[*:1]
CCc1cc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)n2ncnc2n1 CC(C)(C)[*:1] CCc1cc(N2C[C@@H](C)N(C[C@@H]2C)C(=O)O[*:1])n2ncnc2n1
COCCCCS(=O)(=O)[C@H](C)c1cccs1 COCC[*:1] C[C@H](c1cccs1)S(=O)(=O)CC[*:1]
COCCCCS(=O)(=O)[C@H](C)c1cccs1 c1csc(c1)[*:1] COCCCCS(=O)(=O)[C@H](C)[*:1]
COCCCCS(=O)(=O)[C@H](C)c1cccs1 COCCC[*:1] C[C@H](c1cccs1)S(=O)(=O)C[*:1]
COCCCCS(=O)(=O)[C@H](C)c1cccs1 COC[*:1] C[C@H](c1cccs1)S(=O)(=O)CCC[*:1]
Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc[n+]([O-])cc2)c1 Cc1cccc(c1)[*:1] C[C@@H](OC(=O)c1cc[n+]([O-])cc1)C(=O)N[*:1]
Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc[n+]([O-])cc2)c1 [O-][n+]1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)[C@@H](C)OC(=O)[*:1]
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](Oc2cc(C)cc(C)c2C)C1 O=C([O-])[*:1] C[NH2+][C@]1(CC[C@@H](C1)Oc1cc(C)cc(C)c1C)[*:1]
CC(C)C(=O)N1CCC(C(=O)OC[C@@H]2CC=CCC2)CC1 CC(C)[*:1] O=C(OC[C@@H]1CC=CCC1)C1CCN(CC1)C(=O)[*:1]
CN(CC[C@H](O)c1ccccc1)C(=O)c1cnc(-c2ccncc2)nc1 c1ccc(cc1)[*:1] CN(CC[C@H](O)[*:1])C(=O)c1cnc(nc1)-c1ccncc1
CN(CC[C@H](O)c1ccccc1)C(=O)c1cnc(-c2ccncc2)nc1 O[C@H](c1ccccc1)[*:1] CN(CC[*:1])C(=O)c1cnc(nc1)-c1ccncc1
CN(CC[C@H](O)c1ccccc1)C(=O)c1cnc(-c2ccncc2)nc1 c1cc(ccn1)[*:1] CN(CC[C@H](O)c1ccccc1)C(=O)c1cnc(nc1)[*:1]
CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2CCc3c(O)cccc32)cn1 CN(C)C(=O)C[*:1] O=C(Nc1cnn(c1)[*:1])N[C@@H]1CCc2c(O)cccc21
CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2CCc3c(O)cccc32)cn1 CN(C)C(=O)[*:1] O=C(Nc1cnn(c1)C[*:1])N[C@@H]1CCc2c(O)cccc21
COc1ccccc1Oc1ccc(CN[C@H](C)c2nccs2)cc1 c1csc(n1)[*:1] COc1ccccc1Oc1ccc(cc1)CN[C@H](C)[*:1]
COc1ccccc1Oc1ccc(CN[C@H](C)c2nccs2)cc1 COc1ccccc1[*:1] C[C@@H](NCc1ccc(cc1)O[*:1])c1nccs1
NC(=O)c1c(NC(=O)CSc2nncn2-c2ccccc2)sc2c1CCC2 c1ccc(cc1)[*:1] NC(=O)c1c(NC(=O)CSc2nncn2[*:1])sc2CCCc21
NC(=O)c1c(NC(=O)CSc2nncn2-c2ccccc2)sc2c1CCC2 NC(=O)[*:1] O=C(CSc1nncn1-c1ccccc1)Nc1sc2CCCc2c1[*:1]
S=C(NCc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Oc1ccccc1 c1ccc(cc1)[*:1] S=C(NCc1ccc2OCOc2c1)Nc1cc(Cl)ccc1O[*:1]
S=C(NCc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Oc1ccccc1 c1cc2OCOc2cc1[*:1] S=C(NC[*:1])Nc1cc(Cl)ccc1Oc1ccccc1
S=C(NCc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Oc1ccccc1 c1ccc(cc1)O[*:1] S=C(NCc1ccc2OCOc2c1)Nc1cc(Cl)ccc1[*:1]
CC(C)n1c[nH+]cc1[C@H](O)[C@@H]1CCCCC[NH2+]1 CC(C)[*:1] O[C@@H](c1c[nH+]cn1[*:1])[C@@H]1CCCCC[NH2+]1
C[C@H](CCc1ccccc1)NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] C[C@H](CCc1ccccc1)NC(=O)N[C@H]1CCC[C@H](C1)[*:1]
C[C@H](CCc1ccccc1)NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 c1ccc(cc1)[*:1] C[C@H](CC[*:1])NC(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O
C[C@H](CCc1ccccc1)NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 c1ccc(cc1)C[*:1] C[C@H](C[*:1])NC(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O
C[C@H](CCc1ccccc1)NC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 c1ccc(cc1)CC[*:1] C[C@H](NC(=O)N[C@H]1CCC[C@@H](C1)S(C)(=O)=O)[*:1]
N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H]1CCC[C@@H]1O NS(=O)(=O)[*:1] N#Cc1cc(ccc1NC[C@@H]1CCC[C@@H]1O)[*:1]
COc1cc(=O)n2c(c1C(=O)NCc1cccs1)CCN(C(=O)Cn1cnc3ccccc31)CC2 c1csc(c1)C[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)N[*:1])C(=O)Cn1cnc2ccccc21
COc1cc(=O)n2c(c1C(=O)NCc1cccs1)CCN(C(=O)Cn1cnc3ccccc31)CC2 c1csc(c1)[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)NC[*:1])C(=O)Cn1cnc2ccccc21
COc1cc(=O)n2c(c1C(=O)NCc1cccs1)CCN(C(=O)Cn1cnc3ccccc31)CC2 c1ccc2c(c1)ncn2[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)NCc1cccs1)C(=O)C[*:1]
COc1cc(=O)n2c(c1C(=O)NCc1cccs1)CCN(C(=O)Cn1cnc3ccccc31)CC2 c1ccc2c(c1)ncn2C[*:1] COc1cc(=O)n2CCN(CCc2c1C(=O)NCc1cccs1)C(=O)[*:1]
COc1cc(=O)n2c(c1C(=O)NCc1cccs1)CCN(C(=O)Cn1cnc3ccccc31)CC2 O=C(NCc1cccs1)[*:1] COc1cc(=O)n2CCN(CCc2c1[*:1])C(=O)Cn1cnc2ccccc21
O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCC[C@@H](CCO)C1 c1cn(cn1)[*:1] O=C(NCc1ccc(c(F)c1)[*:1])N1CCC[C@@H](CCO)C1
O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCC[C@@H](CCO)C1 OCC[*:1] O=C(NCc1ccc(c(F)c1)-n1ccnc1)N1CCC[C@@H](C1)[*:1]
Cc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)Nc4sccc4C#N)nnc23)c(C)c1 N#Cc1ccsc1[*:1] Cc1ccc(c(C)c1)-n1c(=O)c2ccccc2n2c(nnc12)SCC(=O)N[*:1]
Cc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)Nc4sccc4C#N)nnc23)c(C)c1 N#Cc1ccsc1NC(=O)C[*:1] Cc1ccc(c(C)c1)-n1c(=O)c2ccccc2n2c(nnc12)S[*:1]
Cc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)Nc4sccc4C#N)nnc23)c(C)c1 N#Cc1ccsc1NC(=O)[*:1] Cc1ccc(c(C)c1)-n1c(=O)c2ccccc2n2c(nnc12)SC[*:1]
Cc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)Nc4sccc4C#N)nnc23)c(C)c1 Cc1ccc(c(C)c1)[*:1] N#Cc1ccsc1NC(=O)CSc1nnc2n(c(=O)c3ccccc3n12)[*:1]
CCCn1cc[nH+]c1Cc1ccc(C(=O)[O-])s1 O=C([O-])[*:1] CCCn1cc[nH+]c1Cc1ccc(s1)[*:1]
CCCn1cc[nH+]c1Cc1ccc(C(=O)[O-])s1 CCC[*:1] O=C([O-])c1ccc(Cc2[nH+]ccn2[*:1])s1
O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 Fc1ccc(cc1)OC[*:1] O=S(=O)(c1cccc(Br)c1)N1CCN(CC1)C[C@@H](O)[*:1]
O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=S(=O)(c1cccc(Br)c1)N1CCN(CC1)C[C@@H](O)CO[*:1]
O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 Brc1cccc(c1)[*:1] O=S(=O)(N1CCN(CC1)C[C@@H](O)COc1ccc(F)cc1)[*:1]
O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 Fc1ccc(cc1)O[*:1] O=S(=O)(c1cccc(Br)c1)N1CCN(CC1)C[C@@H](O)C[*:1]
C=CCNC(=O)[C@@H](C)S[C@H](C)c1cccs1 c1csc(c1)[*:1] C=CCNC(=O)[C@@H](C)S[C@H](C)[*:1]
C=CCNC(=O)[C@@H](C)S[C@H](C)c1cccs1 C=CC[*:1] C[C@@H](S[C@H](C)c1cccs1)C(=O)N[*:1]
CC[C@@]1(COC)CC(=O)NC(=O)[C@@H]1CC(C)C CC(C)[*:1] CC[C@@]1(COC)CC(=O)NC(=O)[C@@H]1C[*:1]
CC[C@@]1(COC)CC(=O)NC(=O)[C@@H]1CC(C)C COC[*:1] CC[C@]1(CC(=O)NC(=O)[C@@H]1CC(C)C)[*:1]
CC[C@@]1(COC)CC(=O)NC(=O)[C@@H]1CC(C)C CC(C)C[*:1] CC[C@@]1(COC)CC(=O)NC(=O)[C@H]1[*:1]
COC(=O)N1CC[C@H](Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 O=[N+]([O-])[*:1] COC(=O)N1CC[C@@H](C1)Nc1cc(C)nc(n1)-c1ccc(cc1)[*:1]
CC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)N2CCC(C)CC2)c1 CC1CCN(CC1)C(=O)[*:1] CC(=O)Nc1cccc(c1)[C@H]1OC(=O)N(Cc2ccc(F)cc2)[C@H]1[*:1]
CC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)N2CCC(C)CC2)c1 Fc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)[C@H]1OC(=O)N(C[*:1])[C@@H]1C(=O)N1CCC(C)CC1
CC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)N2CCC(C)CC2)c1 CC(=O)N[*:1] CC1CCN(CC1)C(=O)[C@@H]1[C@H](OC(=O)N1Cc1ccc(F)cc1)c1cccc(c1)[*:1]
CC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)N2CCC(C)CC2)c1 CC(=O)Nc1cccc(c1)[*:1] CC1CCN(CC1)C(=O)[C@@H]1[C@H](OC(=O)N1Cc1ccc(F)cc1)[*:1]
CC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccc(F)cc3)[C@@H]2C(=O)N2CCC(C)CC2)c1 Fc1ccc(cc1)C[*:1] CC(=O)Nc1cccc(c1)[C@H]1OC(=O)N([C@@H]1C(=O)N1CCC(C)CC1)[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1OCC(F)F FC(F)[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1OC[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1OCC(F)F FC(F)C[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1O[*:1]
O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1OCC(F)F FC(F)CO[*:1] O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1[*:1]
CC(=O)[C@@H](C)SCC(=O)/C=C1\N(C)c2ccccc2C1(C)C CC(=O)[*:1] C[C@@H](SCC(=O)/C=C1\N(C)c2ccccc2C1(C)C)[*:1]
CC(C)(C)[C@H]1CCC(=O)[C@H](CC(F)(F)F)C1 CC(C)(C)[*:1] O=C1CC[C@@H](C[C@H]1CC(F)(F)F)[*:1]
CC(C)(C)[C@H]1CCC(=O)[C@H](CC(F)(F)F)C1 FC(F)(F)C[*:1] CC(C)(C)[C@H]1CCC(=O)[C@H](C1)[*:1]
CC(C)(C)[C@H]1CCC(=O)[C@H](CC(F)(F)F)C1 FC(F)(F)[*:1] CC(C)(C)[C@H]1CCC(=O)[C@@H](C1)C[*:1]
CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3C=c4ccccc4=[NH+]3)C2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])[C@@H]1CCCN(C1)C(=O)[C@H]1C=c2ccccc2=[NH+]1
CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3C=c4ccccc4=[NH+]3)C2)c1 CC(=O)c1cccc(c1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)[C@H]1C=c2ccccc2=[NH+]1
Cc1ccccc1OCCN(C)C(=O)c1cc2ccccc2oc1=O Cc1ccccc1O[*:1] CN(CC[*:1])C(=O)c1cc2ccccc2oc1=O
Cc1ccccc1OCCN(C)C(=O)c1cc2ccccc2oc1=O Cc1ccccc1[*:1] CN(CCO[*:1])C(=O)c1cc2ccccc2oc1=O
COc1ccc([C@@H](NCc2cccc(Cl)c2)c2[nH+]ccn2C)cc1 COc1ccc(cc1)[*:1] Cn1cc[nH+]c1[C@H](NCc1cccc(Cl)c1)[*:1]
COc1ccc([C@@H](NCc2cccc(Cl)c2)c2[nH+]ccn2C)cc1 Clc1cccc(c1)C[*:1] COc1ccc(cc1)[C@@H](N[*:1])c1[nH+]ccn1C
COc1ccc([C@@H](NCc2cccc(Cl)c2)c2[nH+]ccn2C)cc1 Clc1cccc(c1)[*:1] COc1ccc(cc1)[C@@H](NC[*:1])c1[nH+]ccn1C
CCc1ccccc1-n1cc([O-])c(C(=O)N(C)CC(C)(C)O)n1 CC(C)(O)[*:1] CCc1ccccc1-n1cc([O-])c(n1)C(=O)N(C)C[*:1]
CCc1ccccc1-n1cc([O-])c(C(=O)N(C)CC(C)(C)O)n1 CC(C)(O)C[*:1] CCc1ccccc1-n1cc([O-])c(n1)C(=O)N(C)[*:1]
Nc1nc2ncc(C(=O)c3ccccc3O)cc2c(=O)[nH]1 Oc1ccccc1[*:1] Nc1nc2ncc(cc2c(=O)[nH]1)C(=O)[*:1]
CSCC[NH2+]CC(C)(C)C(=O)[O-] CSCC[*:1] CC(C)(C[NH2+][*:1])C(=O)[O-]
CSCC[NH2+]CC(C)(C)C(=O)[O-] O=C([O-])[*:1] CSCC[NH2+]CC(C)(C)[*:1]
CSCC[NH2+]CC(C)(C)C(=O)[O-] CSC[*:1] CC(C)(C[NH2+]C[*:1])C(=O)[O-]
N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)CC2)nc1 N#Cc1ccc(nc1)[*:1] O=C(C1CCN(CC1)[*:1])N1CCC[C@H](C1)c1nc2ccccc2[nH]1
N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)CC2)nc1 c1ccc2[nH]c(nc2c1)[*:1] N#Cc1ccc(nc1)N1CCC(CC1)C(=O)N1CCC[C@@H](C1)[*:1]
N#Cc1cccnc1N1CCC(CNS(=O)(=O)c2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] N#Cc1cccnc1N1CCC(CC1)CNS(=O)(=O)[*:1]
N#Cc1cccnc1N1CCC(CNS(=O)(=O)c2cccc(F)c2)CC1 N#Cc1cccnc1[*:1] O=S(=O)(NCC1CCN(CC1)[*:1])c1cccc(F)c1
CN(CC(=O)N1CCOCC1)C(=O)c1ccc2ccc(Cl)cc2n1 O=C(N1CCOCC1)[*:1] CN(C[*:1])C(=O)c1ccc2ccc(Cl)cc2n1
CSCc1ccc(C(=O)N(C)C/C=C/c2ccccc2)o1 CSC[*:1] CN(C/C=C/c1ccccc1)C(=O)c1ccc(o1)[*:1]
CSCc1ccc(C(=O)N(C)C/C=C/c2ccccc2)o1 c1ccc(cc1)[*:1] CSCc1ccc(o1)C(=O)N(C)CC=C[*:1]
Cc1ccccc1C(=O)Nc1ccc2c(=O)oc(-c3ccccc3C)[nH+]c2c1 Cc1ccccc1[*:1] Cc1ccccc1C(=O)Nc1ccc2c(=O)oc([nH+]c2c1)[*:1]
Cc1ccccc1C(=O)Nc1ccc2c(=O)oc(-c3ccccc3C)[nH+]c2c1 Cc1ccccc1[*:1] Cc1ccccc1-c1[nH+]c2cc(ccc2c(=O)o1)NC(=O)[*:1]
C/C(N[C@H](C)C(C)C)=C1\C(=O)NC(=S)N(CC(C)C)C1=O CC(C)[C@@H](C)N[*:1] CC(=C1C(=O)NC(=S)N(CC(C)C)C1=O)[*:1]
C/C(N[C@H](C)C(C)C)=C1\C(=O)NC(=S)N(CC(C)C)C1=O CC(C)C[*:1] C/C(N[C@H](C)C(C)C)=C1\C(=O)NC(=S)N(C1=O)[*:1]
C/C(N[C@H](C)C(C)C)=C1\C(=O)NC(=S)N(CC(C)C)C1=O CC(C)[*:1] C/C(N[C@H](C)C(C)C)=C1\C(=O)NC(=S)N(C[*:1])C1=O
C/C(N[C@H](C)C(C)C)=C1\C(=O)NC(=S)N(CC(C)C)C1=O CC(C)[*:1] C/C(N[C@H](C)[*:1])=C1\C(=O)NC(=S)N(CC(C)C)C1=O
C/C(N[C@H](C)C(C)C)=C1\C(=O)NC(=S)N(CC(C)C)C1=O CC(C)[C@@H](C)[*:1] C/C(N[*:1])=C1\C(=O)NC(=S)N(CC(C)C)C1=O
C=CCNC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 C=CC[*:1] O=C(N[*:1])N1CCN(CC1)c1nc2ccc(Cl)cc2s1
Cc1cnc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cn1 NC(=O)[*:1] Cc1cnc(cn1)C(=O)N1CCC[C@H](C1)c1nc2ccc(F)cc2cc1[*:1]
Cc1cnc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cn1 Cc1cnc(cn1)[*:1] NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C1)C(=O)[*:1]
C[NH+](CCn1cnnc1)Cc1ccc(-c2nc3ccccc3s2)o1 c1nncn1[*:1] C[NH+](CC[*:1])Cc1ccc(o1)-c1nc2ccccc2s1
C[NH+](CCn1cnnc1)Cc1ccc(-c2nc3ccccc3s2)o1 c1nncn1C[*:1] C[NH+](Cc1ccc(o1)-c1nc2ccccc2s1)C[*:1]
C[NH+](C)[C@H]1CC[C@H](NC(=O)NCCNC(=O)c2ccco2)C1 c1coc(c1)[*:1] C[NH+](C)[C@H]1CC[C@@H](C1)NC(=O)NCCNC(=O)[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)N1CCCC1=O)[*:1]
C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 O=C1CCCN1[*:1] C[C@@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])c1cccc(Cl)c1
C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 C[C@@H](c1cccc(Cl)c1)[*:1] O=C(Nc1ccc(cc1)N1CCCC1=O)C(=O)N[*:1]
Cc1cccc(CNC(=O)N2CCN(C(=O)C3CCCC3)CC2)c1 Cc1cccc(c1)C[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)C1CCCC1
Cc1cccc(CNC(=O)N2CCN(C(=O)C3CCCC3)CC2)c1 C1CCC(C1)[*:1] Cc1cccc(c1)CNC(=O)N1CCN(CC1)C(=O)[*:1]
Cc1cccc(CNC(=O)N2CCN(C(=O)C3CCCC3)CC2)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)C1CCCC1
CNC(=O)CC1CCN(C(=O)c2cnc(-c3ccoc3)s2)CC1 c1cc(co1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)c1cnc(s1)[*:1]
CNC(=O)CC1CCN(C(=O)c2cnc(-c3ccoc3)s2)CC1 CNC(=O)C[*:1] O=C(c1cnc(s1)-c1ccoc1)N1CCC(CC1)[*:1]
CNC(=O)CC1CCN(C(=O)c2cnc(-c3ccoc3)s2)CC1 CNC(=O)[*:1] O=C(c1cnc(s1)-c1ccoc1)N1CCC(CC1)C[*:1]
Cc1ccc2c(CC(=O)N(C)CC(=O)OC(C)(C)C)cc(=O)oc2c1 CC(C)(C)[*:1] Cc1ccc2c(cc(=O)oc2c1)CC(=O)N(C)CC(=O)O[*:1]
Cc1ccc2c(CC(=O)N(C)CC(=O)OC(C)(C)C)cc(=O)oc2c1 CC(C)(C)OC(=O)[*:1] Cc1ccc2c(cc(=O)oc2c1)CC(=O)N(C)C[*:1]
Cc1ccc2c(CC(=O)N(C)CC(=O)OC(C)(C)C)cc(=O)oc2c1 CC(C)(C)OC(=O)C[*:1] Cc1ccc2c(cc(=O)oc2c1)CC(=O)N(C)[*:1]
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc21)N[*:1]
CC(C)[NH2+][C@]1(CO)CC[C@H](Oc2ccc3c(c2)CCC3)C1 CC(C)[*:1] OC[C@]1(CC[C@@H](C1)Oc1ccc2CCCc2c1)[NH2+][*:1]
CC[NH+]1CCC(n2nccc2NC(=O)c2sc(-c3ccccc3)nc2C)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCC(CC1)n1nccc1NC(=O)c1sc(nc1C)[*:1]
CC(C)(C)c1csc(C[C@@H]2CCC[C@@H]([NH3+])C2)n1 CC(C)(C)[*:1] [NH3+][C@@H]1CCC[C@@H](Cc2nc(cs2)[*:1])C1
O=C(NCc1ccc(COC2CCCCC2)cc1)c1cc2ccncc2cn1 C1CCC(CC1)O[*:1] O=C(NCc1ccc(cc1)C[*:1])c1cc2ccncc2cn1
O=C(NCc1ccc(COC2CCCCC2)cc1)c1cc2ccncc2cn1 C1CCC(CC1)[*:1] O=C(NCc1ccc(cc1)CO[*:1])c1cc2ccncc2cn1
O=C(NCc1ccc(COC2CCCCC2)cc1)c1cc2ccncc2cn1 C1CCC(CC1)OC[*:1] O=C(NCc1ccc(cc1)[*:1])c1cc2ccncc2cn1
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](OC(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 O=[N+]([O-])[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])c1ccccc1
c1ccc(-c2cn[nH]c2[C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)cc1 c1ccc(cc1)[*:1] c1nc(c2cc[nH]c2n1)N1CCC[C@H](C1)c1[nH]ncc1[*:1]
Cn1c(=O)oc2cc(NC(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc21 CS(=O)(=O)[*:1] Cn1c(=O)oc2cc(ccc21)NC(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](CO)N(CC(=O)NC(=O)NC(C)(C)C)c1ccccc1 CC(C)(C)[*:1] CC[C@@H](CO)N(CC(=O)NC(=O)N[*:1])c1ccccc1
CC[C@@H](CO)N(CC(=O)NC(=O)NC(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] CC[C@@H](CO)N(CC(=O)NC(=O)NC(C)(C)C)[*:1]
COc1ccc(-c2noc(C3CCC3)n2)c(OC)c1OC C1CC(C1)[*:1] COc1ccc(-c2noc(n2)[*:1])c(OC)c1OC
CC(C)CN(C(=O)[C@@](C)([NH3+])C1CC1)C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(C(=O)[C@@](C)([NH3+])C1CC1)[*:1]
CC(C)CN(C(=O)[C@@](C)([NH3+])C1CC1)C1CCCC1 CC(C)C[*:1] C[C@@]([NH3+])(C(=O)N(C1CCCC1)[*:1])C1CC1
CC(C)CN(C(=O)[C@@](C)([NH3+])C1CC1)C1CCCC1 C1CC1[*:1] CC(C)CN(C(=O)[C@@](C)([NH3+])[*:1])C1CCCC1
CC(C)CN(C(=O)[C@@](C)([NH3+])C1CC1)C1CCCC1 CC(C)[*:1] C[C@@]([NH3+])(C(=O)N(C[*:1])C1CCCC1)C1CC1
COc1nc(NCC(=O)N(C)C)nc(N2CCCCCC2)n1 C1CCCN(CC1)[*:1] COc1nc(nc(n1)[*:1])NCC(=O)N(C)C
COc1nc(NCC(=O)N(C)C)nc(N2CCCCCC2)n1 CN(C)C(=O)[*:1] COc1nc(nc(n1)N1CCCCCC1)NC[*:1]
COc1nc(NCC(=O)N(C)C)nc(N2CCCCCC2)n1 CN(C)C(=O)C[*:1] COc1nc(nc(n1)N1CCCCCC1)N[*:1]
COc1nc(NCC(=O)N(C)C)nc(N2CCCCCC2)n1 CN(C)C(=O)CN[*:1] COc1nc(nc(n1)[*:1])N1CCCCCC1
CCn1cc(/C=C(/C#N)C(=O)N(C)C)c2ccccc21 CN(C)C(=O)[*:1] CCn1cc(C=C(C#N)[*:1])c2ccccc21
N#Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1 FC(F)(F)[*:1] N#Cc1cccc(c1)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1O[*:1]
N#Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1 FC(F)(F)O[*:1] N#Cc1cccc(c1)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1[*:1]
N#Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1 N#Cc1cccc(c1)[*:1] O=C(NC[*:1])[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F
COc1ccc(CC(=O)N2CCC[C@H]2c2cc(C(F)(F)F)c(CNC(C)=O)cn2)cc1 COc1ccc(cc1)[*:1] CC(=O)NCc1cnc(cc1C(F)(F)F)[C@@H]1CCCN1C(=O)C[*:1]
COc1ccc(CC(=O)N2CCC[C@H]2c2cc(C(F)(F)F)c(CNC(C)=O)cn2)cc1 COc1ccc(cc1)C[*:1] CC(=O)NCc1cnc(cc1C(F)(F)F)[C@@H]1CCCN1C(=O)[*:1]
COc1ccc(CC(=O)N2CCC[C@H]2c2cc(C(F)(F)F)c(CNC(C)=O)cn2)cc1 CC(=O)NC[*:1] COc1ccc(cc1)CC(=O)N1CCC[C@H]1c1cc(c(cn1)[*:1])C(F)(F)F
COc1ccc(CC(=O)N2CCC[C@H]2c2cc(C(F)(F)F)c(CNC(C)=O)cn2)cc1 CC(=O)N[*:1] COc1ccc(cc1)CC(=O)N1CCC[C@H]1c1cc(c(cn1)C[*:1])C(F)(F)F
COc1ccc(CC(=O)N2CCC[C@H]2c2cc(C(F)(F)F)c(CNC(C)=O)cn2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)CC(=O)N1CCC[C@H]1c1cc(c(cn1)CNC(C)=O)[*:1]
C[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 NS(=O)(=O)[*:1] C[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1cccc(c1)[*:1]
C[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 c1ccc(cc1)[*:1] C[C@H](O[*:1])C(=O)N[C@H](C)c1cccc(c1)S(N)(=O)=O
C[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 c1ccc(cc1)O[*:1] C[C@H](C(=O)N[C@H](C)c1cccc(c1)S(N)(=O)=O)[*:1]
OCC1(CN(CC(F)F)C2CC2)COC1 FC(F)[*:1] OCC1(COC1)CN(C[*:1])C1CC1
OCC1(CN(CC(F)F)C2CC2)COC1 FC(F)C[*:1] OCC1(COC1)CN(C1CC1)[*:1]
OCC1(CN(CC(F)F)C2CC2)COC1 C1CC1[*:1] OCC1(COC1)CN(CC(F)F)[*:1]
C=CCCC[C@H]([NH2+]C)[C@@H]1CN2CCC[C@@H]2CO1 C=CC[*:1] C[NH2+][C@@H](CC[*:1])[C@@H]1CN2CCC[C@@H]2CO1
C=CCCC[C@H]([NH2+]C)[C@@H]1CN2CCC[C@@H]2CO1 C=CCC[*:1] C[NH2+][C@@H](C[*:1])[C@@H]1CN2CCC[C@@H]2CO1
C=CCCC[C@H]([NH2+]C)[C@@H]1CN2CCC[C@@H]2CO1 C=CCCC[*:1] C[NH2+][C@H]([C@@H]1CN2CCC[C@@H]2CO1)[*:1]
COc1ccc(F)c(NC(=O)[C@H](NC(C)=O)C2CCCC2)c1 CC(=O)N[*:1] COc1ccc(F)c(c1)NC(=O)[C@H](C1CCCC1)[*:1]
COc1ccc(F)c(NC(=O)[C@H](NC(C)=O)C2CCCC2)c1 C1CCC(C1)[*:1] COc1ccc(F)c(c1)NC(=O)[C@H](NC(C)=O)[*:1]
CC(C)[NH2+][C@]1(CO)CC[C@@H](Sc2nncs2)C1 CC(C)[*:1] OC[C@]1(CC[C@H](C1)Sc1nncs1)[NH2+][*:1]
CC(C)[NH2+][C@]1(CO)CC[C@@H](Sc2nncs2)C1 c1nnc(s1)[*:1] CC(C)[NH2+][C@]1(CO)CC[C@H](C1)S[*:1]
CCN(CCc1nccs1)C(=O)Nc1c[nH]nc1-c1ccccn1 c1csc(n1)[*:1] CCN(CC[*:1])C(=O)Nc1c[nH]nc1-c1ccccn1
CCN(CCc1nccs1)C(=O)Nc1c[nH]nc1-c1ccccn1 c1csc(CC[*:1])n1 CCN(C(=O)Nc1c[nH]nc1-c1ccccn1)[*:1]
CCN(CCc1nccs1)C(=O)Nc1c[nH]nc1-c1ccccn1 c1csc(C[*:1])n1 CCN(C[*:1])C(=O)Nc1c[nH]nc1-c1ccccn1
CCN(CCc1nccs1)C(=O)Nc1c[nH]nc1-c1ccccn1 c1ccc(nc1)[*:1] CCN(CCc1nccs1)C(=O)Nc1c[nH]nc1[*:1]
NC(=O)C1CCN(C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)CC1 c1coc(c1)C[*:1] NC(=O)C1CCN(CC1)C(=O)CSc1nc2ccsc2c(=O)n1[*:1]
NC(=O)C1CCN(C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)CC1 c1coc(c1)[*:1] NC(=O)C1CCN(CC1)C(=O)CSc1nc2ccsc2c(=O)n1C[*:1]
NC(=O)C1CCN(C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)CC1 NC(=O)[*:1] O=C(CSc1nc2ccsc2c(=O)n1Cc1ccco1)N1CCC(CC1)[*:1]
Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2ccc(F)cn2)s1 Cc1ccc(s1)[*:1] N#C[C@H](C(=O)CCC(=O)[*:1])c1ccc(F)cn1
Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2ccc(F)cn2)s1 Fc1ccc(nc1)[*:1] Cc1ccc(s1)C(=O)CCC(=O)[C@@H](C#N)[*:1]
COc1cc(CN2CCc3nc(N4CCCC4)ncc3C2)cc(OC)c1OC C1CCN(C1)[*:1] COc1cc(cc(OC)c1OC)CN1CCc2nc(ncc2C1)[*:1]
CCNC(=O)CN(CC)C(=O)c1cccnc1 CCNC(=O)[*:1] CCN(C[*:1])C(=O)c1cccnc1
Cc1cnc(NC(=O)[C@H](C)S(C)(=O)=O)s1 CS(=O)(=O)[*:1] Cc1cnc(NC(=O)[C@H](C)[*:1])s1
CCC[C@H](NC(=O)c1sccc1SC)C(=O)OC CCC[*:1] COC(=O)[C@@H](NC(=O)c1sccc1SC)[*:1]
CCC[C@H](NC(=O)c1sccc1SC)C(=O)OC COC(=O)[*:1] CCC[C@H](NC(=O)c1sccc1SC)[*:1]
CCSCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CCSCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(c1)[*:1]
CCSCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CCS[*:1] C[C@@H](CC[*:1])N(C)C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C
CCSCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CCSCC[*:1] C[C@H](N(C)C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C)[*:1]
CCSCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CCSC[*:1] C[C@@H](C[*:1])N(C)C(=O)Nc1ccc(F)c(c1)C(=O)N(C)C
Cc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c(C)c1 C[C@@H]1CCCCN1[*:1] Cc1ccc(OCC(=O)Nc2ccc(cc2)[*:1])c(C)c1
Cc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] C[C@@H]1CCCCN1c1ccc(cc1)NC(=O)CO[*:1]
COC(=O)c1ccc(=O)n(Cc2ccc(C#N)cc2F)c1 COC(=O)[*:1] N#Cc1ccc(Cn2cc(ccc2=O)[*:1])c(F)c1
N#CCc1ccc(N[C@@H](C(N)=O)c2ccc(Br)cc2)cc1 N#CC[*:1] NC(=O)[C@H](Nc1ccc(cc1)[*:1])c1ccc(Br)cc1
N#CCc1ccc(N[C@@H](C(N)=O)c2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] N#CCc1ccc(cc1)N[C@@H](C(N)=O)[*:1]
N#CCc1ccc(N[C@@H](C(N)=O)c2ccc(Br)cc2)cc1 NC(=O)[*:1] N#CCc1ccc(cc1)N[C@@H](c1ccc(Br)cc1)[*:1]
CCCc1nnsc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] CCCc1nnsc1C(=O)N1CCC[C@@H](CC[*:1])C1
CCCc1nnsc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 CCC[*:1] O=C(c1snnc1[*:1])N1CCC[C@@H](CCc2ccc(F)cc2)C1
CCCc1nnsc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 CCCc1nnsc1[*:1] O=C(N1CCC[C@@H](CCc2ccc(F)cc2)C1)[*:1]
CCCc1nnsc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 Fc1ccc(cc1)C[*:1] CCCc1nnsc1C(=O)N1CCC[C@H](C1)C[*:1]
Cc1cc(=O)n2nc(C[NH+](C)CC(=O)[O-])sc2n1 O=C([O-])[*:1] Cc1cc(=O)n2nc(C[NH+](C)C[*:1])sc2n1
COc1ccc(C2(CNC(=O)c3ccc(Br)o3)CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(NCC1(CCOCC1)[*:1])c1ccc(Br)o1
COc1ccc(C2(CNC(=O)c3ccc(Br)o3)CCOCC2)cc1 Brc1ccc(o1)[*:1] COc1ccc(cc1)C1(CCOCC1)CNC(=O)[*:1]
O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)O[*:1]
O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)OCc1ccccc1 O=C([O-])[*:1] O=C(OCc1ccccc1)N1C[C@@H]2CCC[C@@H]2[C@H]1[*:1]
O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)OCc1ccccc1 c1ccc(cc1)[*:1] O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)OC[*:1]
CC(C)Cc1nnc(NC(=O)[C@H](C)OCC2CC2)s1 C1CC1CO[*:1] CC(C)Cc1nnc(NC(=O)[C@H](C)[*:1])s1
CC(C)Cc1nnc(NC(=O)[C@H](C)OCC2CC2)s1 C1CC1C[*:1] CC(C)Cc1nnc(NC(=O)[C@H](C)O[*:1])s1
CC(C)Cc1nnc(NC(=O)[C@H](C)OCC2CC2)s1 C1CC1[*:1] CC(C)Cc1nnc(NC(=O)[C@H](C)OC[*:1])s1
CC(C)Cc1nnc(NC(=O)[C@H](C)OCC2CC2)s1 CC(C)[*:1] C[C@H](OCC1CC1)C(=O)Nc1nnc(C[*:1])s1
CC(C)Cc1nnc(NC(=O)[C@H](C)OCC2CC2)s1 CC(C)C[*:1] C[C@H](OCC1CC1)C(=O)Nc1nnc(s1)[*:1]
C[C@H]1C[C@](O)(Cc2ccc(OC(F)(F)F)cc2)CS1 FC(F)(F)O[*:1] C[C@H]1C[C@@](O)(CS1)Cc1ccc(cc1)[*:1]
C[C@H]1C[C@](O)(Cc2ccc(OC(F)(F)F)cc2)CS1 FC(F)(F)[*:1] C[C@H]1C[C@@](O)(CS1)Cc1ccc(cc1)O[*:1]
Cc1c([O-])[nH+]c(CCNC(=O)C2CCCCC2)[nH]c1=O C1CCC(CC1)[*:1] Cc1c([O-])[nH+]c(CCNC(=O)[*:1])[nH]c1=O
O=C(NC[C@@H]1CCCO1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 C1CO[C@@H](C1)C[*:1] O=C(N[*:1])c1cn[nH]c1-c1ccc(cc1)[N+](=O)[O-]
O=C(NC[C@@H]1CCCO1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 C1CO[C@@H](C1)[*:1] O=C(NC[*:1])c1cn[nH]c1-c1ccc(cc1)[N+](=O)[O-]
O=C(NC[C@@H]1CCCO1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(NC[C@@H]1CCCO1)c1cn[nH]c1-c1ccc(cc1)[*:1]
COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 COc1cccc(c1)[*:1] Cn1cc(cc1C(N)=O)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 NC(=O)[*:1] COc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)c1cc(n(C)c1)[*:1]
COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 Cn1cc(cc1C(N)=O)[*:1] COc1cccc(c1)NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CC(C)[C@H](Sc1ccccc1F)C(=O)N1CCOCC1 CC(C)[*:1] O=C([C@@H](Sc1ccccc1F)[*:1])N1CCOCC1
COc1cccc(S[C@H]2CC[C@@](C#N)(NC(C)C)C2)c1 CC(C)N[*:1] COc1cccc(c1)S[C@H]1CC[C@@](C#N)(C1)[*:1]
COc1cccc(S[C@H]2CC[C@@](C#N)(NC(C)C)C2)c1 CC(C)[*:1] COc1cccc(c1)S[C@H]1CC[C@](C#N)(C1)N[*:1]
Cc1ccc(NC(=O)CSCC#N)c(OCc2ccccc2)c1 N#CCS[*:1] Cc1ccc(NC(=O)C[*:1])c(c1)OCc1ccccc1
Cc1ccc(NC(=O)CSCC#N)c(OCc2ccccc2)c1 N#CC[*:1] Cc1ccc(NC(=O)CS[*:1])c(c1)OCc1ccccc1
Cc1ccc(NC(=O)CSCC#N)c(OCc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)CSCC#N)c(c1)O[*:1]
Cc1ccc(NC(=O)CSCC#N)c(OCc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)CSCC#N)c(c1)OC[*:1]
Cc1ccc(NC(=O)CSCC#N)c(OCc2ccccc2)c1 N#CCSC[*:1] Cc1ccc(NC(=O)[*:1])c(c1)OCc1ccccc1
O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 c1csc(c1)[*:1] O=C(NCC#Cc1cccc(c1)C(F)(F)F)[C@H]1CCCN(C1)C(=O)[*:1]
O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 FC(F)(F)[*:1] O=C(NCC#Cc1cccc(c1)[*:1])[C@H]1CCCN(C1)C(=O)c1cccs1
COc1cc(C2(C(=O)Nc3ccc(C(=O)N(C)C)c(C)c3)CC2)ccc1C CN(C)C(=O)[*:1] COc1cc(ccc1C)C1(CC1)C(=O)Nc1ccc(c(C)c1)[*:1]
COc1cc(C2(C(=O)Nc3ccc(C(=O)N(C)C)c(C)c3)CC2)ccc1C COc1cc(ccc1C)[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)C1(CC1)[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(COCC3CC3)c2)cc1 C1CC1[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)Nc1cccc(c1)COC[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(COCC3CC3)c2)cc1 C1CC1C[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)Nc1cccc(c1)CO[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(COCC3CC3)c2)cc1 C1CC1COC[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)Nc1cccc(c1)[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(COCC3CC3)c2)cc1 COc1ccc(cc1)[*:1] O=C(Nc1cccc(c1)COCC1CC1)N1CCC[C@@H]1[*:1]
COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(COCC3CC3)c2)cc1 C1CC1CO[*:1] COc1ccc(cc1)[C@H]1CCCN1C(=O)Nc1cccc(c1)C[*:1]
CC(=O)c1ccc(OCC(=O)Oc2ccc(C)cc2Br)cc1 CC(=O)[*:1] Cc1ccc(OC(=O)COc2ccc(cc2)[*:1])c(Br)c1
Cc1c(NCC[C@H]2CCC[C@@H](C)C2)cccc1N1C(=O)CCC1=O O=C1CCC(=O)N1[*:1] Cc1c(cccc1[*:1])NCC[C@H]1CCC[C@@H](C)C1
CC[NH2+][C@H](CC1CC1)c1ncc(Cl)cc1Cl C1CC1C[*:1] CC[NH2+][C@H](c1ncc(Cl)cc1Cl)[*:1]
CC[NH2+][C@H](CC1CC1)c1ncc(Cl)cc1Cl C1CC1[*:1] CC[NH2+][C@H](C[*:1])c1ncc(Cl)cc1Cl
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 CS(=O)(=O)N[*:1] Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N[C@@H]2CCCC[C@@H]2C)c(C)o1 Cc1ccccc1[*:1] Cc1oc(nc1CS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@@H]1C)[*:1]
C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(-n3cnnn3)c2)c1 c1nnnn1[*:1] C[C@H]1C[C@@H]1C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)[*:1]
CC[C@@H](NC(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1)c1ccncc1 c1cc2OCOc2cc1[*:1] CC[C@@H](NC(=O)c1cc(CO[*:1])[nH]n1)c1ccncc1
CC[C@@H](NC(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)c1cc(COc2ccc3OCOc3c2)[nH]n1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](=O)Cc2cccnc2)C1 CC(C)(C)[*:1] O=C(O[*:1])N1CCC[C@H](C1)[S@@](=O)Cc1cccnc1
CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](=O)Cc2cccnc2)C1 c1cncc(c1)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)[S@@](=O)C[*:1]
CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](=O)Cc2cccnc2)C1 c1cncc(c1)C[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)[S@@](=O)[*:1]
CCC(O)(CC)C[NH2+]Cc1ccc(C2CC2)cc1 CCC(O)(CC)[*:1] c1cc(ccc1C[NH2+]C[*:1])C1CC1
CCC(O)(CC)C[NH2+]Cc1ccc(C2CC2)cc1 C1CC1[*:1] CCC(O)(CC)C[NH2+]Cc1ccc(cc1)[*:1]
COc1ccc(Nc2nnc(SCC(=O)NC(=O)[C@@H]3COc4ccccc4O3)s2)cc1 COc1ccc(cc1)[*:1] O=C(CSc1nnc(N[*:1])s1)NC(=O)[C@@H]1COc2ccccc2O1
COc1ccc(Nc2nnc(SCC(=O)NC(=O)[C@@H]3COc4ccccc4O3)s2)cc1 COc1ccc(cc1)N[*:1] O=C(CSc1nnc(s1)[*:1])NC(=O)[C@@H]1COc2ccccc2O1
CCc1cc(C(=O)NCCc2nc(C)no2)sc1C Cc1noc(n1)[*:1] CCc1cc(sc1C)C(=O)NCC[*:1]
C[C@H](C(=O)Nc1ccccc1Cl)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O Clc1ccccc1[*:1] C[C@H](C(=O)N[*:1])N(c1ccc2OCCOc2c1)S(C)(=O)=O
O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cccc(Cn2cccn2)c1 c1cnn(c1)C[*:1] O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cccc(c1)[*:1]
O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cccc(Cn2cccn2)c1 c1cnn(c1)[*:1] O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cccc(c1)C[*:1]
CSCC[NH+](C)Cc1cc(C)oc1C CSCC[*:1] Cc1cc(C[NH+](C)[*:1])c(C)o1
CSCC[NH+](C)Cc1cc(C)oc1C CSC[*:1] Cc1cc(C[NH+](C)C[*:1])c(C)o1
COC(=O)c1ccc(NCc2cccc(Br)c2)c(F)c1F Brc1cccc(c1)[*:1] COC(=O)c1ccc(NC[*:1])c(F)c1F
COC(=O)c1ccc(NCc2cccc(Br)c2)c(F)c1F COC(=O)[*:1] Fc1c(ccc(c1F)[*:1])NCc1cccc(Br)c1
Cc1cc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)[nH+]c2ccccc12 c1nc(cs1)[*:1] Cc1cc([nH+]c2ccccc12)N1C[C@@H]2CC[C@H](C1)N(C[*:1])C2=O
Cc1cc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)[nH+]c2ccccc12 c1nc(cs1)C[*:1] Cc1cc([nH+]c2ccccc12)N1C[C@@H]2CC[C@H](C1)N(C2=O)[*:1]
CC(C)CCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F CC(C)[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CC[*:1]
CC(C)CCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F CC(C)C[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C[*:1]
CC(C)CCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F CC(C)CC[*:1] C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[*:1]
CCn1nc(C)c(C[NH+]2CCC(NC(N)=O)CC2)c1C NC(=O)N[*:1] CCn1nc(C)c(C[NH+]2CCC(CC2)[*:1])c1C
C[C@@H](O)CN(C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 C[C@@H](O)C[*:1] CN(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[*:1]
C[C@@H](O)CN(C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 C[C@@H](O)[*:1] CN(C[*:1])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2
Cc1sc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CCOCC1 Fc1ccccc1[*:1] Cc1sc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[*:1]
COc1cc(F)cc2sc(NC(=O)Cc3ccc[nH]3)nc12 c1c[nH]c(c1)[*:1] COc1cc(F)cc2sc(nc12)NC(=O)C[*:1]
COc1cc(F)cc2sc(NC(=O)Cc3ccc[nH]3)nc12 c1c[nH]c(c1)C[*:1] COc1cc(F)cc2sc(nc12)NC(=O)[*:1]
COc1ccc(-n2nnc(C(=O)Nc3ccc4oc(C5CC5)nc4c3)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)Nc1ccc2oc(nc2c1)C1CC1
COc1ccc(-n2nnc(C(=O)Nc3ccc4oc(C5CC5)nc4c3)c2C)cc1 C1CC1[*:1] COc1ccc(cc1)-n1nnc(C(=O)Nc2ccc3oc(nc3c2)[*:1])c1C
COc1ccc(-c2nc(CNC(=O)COc3ccccc3)n[nH]2)cc1 c1ccc(cc1)OC[*:1] COc1ccc(cc1)-c1nc(CNC(=O)[*:1])n[nH]1
COc1ccc(-c2nc(CNC(=O)COc3ccccc3)n[nH]2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nc(CNC(=O)CO[*:1])n[nH]1
COc1ccc(-c2nc(CNC(=O)COc3ccccc3)n[nH]2)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccccc1)NCc1n[nH]c(n1)[*:1]
COc1ccc(-c2nc(CNC(=O)COc3ccccc3)n[nH]2)cc1 c1ccc(cc1)O[*:1] COc1ccc(cc1)-c1nc(CNC(=O)C[*:1])n[nH]1
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 O=[N+]([O-])[*:1] O=C([C@@H]1C[C@H]1[*:1])N1CCO[C@@H](C1)c1cccc(c1)C(F)(F)F
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCO[C@@H](C1)c1cccc(c1)[*:1]
O=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1 FC(F)(F)[*:1] O=C1CCN(CCN1)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC#N)cc1 CC(C)[*:1] N#CCNC(=O)[C@@H]1C[C@@H]1c1ccc(cc1)[*:1]
CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC#N)cc1 N#CCNC(=O)[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@@H]1[*:1]
CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC#N)cc1 N#CC[*:1] CC(C)c1ccc(cc1)[C@H]1C[C@H]1C(=O)N[*:1]
COCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2ccc(Br)cc2c1=O COCC[*:1] Cc1ccc(cc1Cl)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1[*:1]
COCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2ccc(Br)cc2c1=O Cc1ccc(cc1Cl)[*:1] COCCn1c(nc2ccc(Br)cc2c1=O)SCC(=O)N[*:1]
COCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2ccc(Br)cc2c1=O COC[*:1] Cc1ccc(cc1Cl)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[*:1]
CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CCC(=O)NC2)ccc1Cl CC(C)OC(=O)[*:1] O=C1CC[C@H](CN1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CCC(=O)NC2)ccc1Cl CC(C)[*:1] O=C1CC[C@H](CN1)C(=O)Nc1ccc(Cl)c(c1)C(=O)O[*:1]
COc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCCO4)nc2c1 c1cc2OCCOc2cc1N[*:1] COc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)c(nc2c1)[*:1]
COc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCCO4)nc2c1 Clc1ccc(cc1)[*:1] COc1ccc2nc(NS(=O)(=O)[*:1])c(nc2c1)Nc1ccc2OCCOc2c1
COc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCCO4)nc2c1 c1cc2OCCOc2cc1[*:1] COc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)c(nc2c1)N[*:1]
COc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCCO4)nc2c1 O=S(=O)(N[*:1])c1ccc(Cl)cc1 COc1ccc2nc(c(nc2c1)Nc1ccc2OCCOc2c1)[*:1]
CCc1noc([C@H](C)[S@@](=O)Cc2sccc2Br)n1 Brc1ccsc1[*:1] CCc1noc(n1)[C@H](C)[S@@](=O)C[*:1]
C[C@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)c1ccccc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H]1C(=O)N(CCN1C(=O)c1ccccc1Cl)[*:1]
C[C@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)c1ccccc1Cl Clc1ccccc1[*:1] C[C@H]1C(=O)N(CCN1C(=O)[*:1])c1ccc(Cl)cc1Cl
Cc1ccccc1C(=O)NNc1ncnc(N(C)C)c1N Cc1ccccc1[*:1] CN(C)c1ncnc(NNC(=O)[*:1])c1N
Cc1ccccc1C(=O)NNc1ncnc(N(C)C)c1N CN(C)[*:1] Cc1ccccc1C(=O)NNc1ncnc(c1N)[*:1]
COC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c(C#N)c1C COC(=O)[*:1] Cc1c(sc(NC(=O)c2ccc(cc2)S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1C#N)[*:1]
C[NH+](C)CCN(Cc1ccco1)C(=O)[C@]1(C)CC1(Cl)Cl c1coc(c1)C[*:1] C[NH+](C)CCN(C(=O)[C@]1(C)CC1(Cl)Cl)[*:1]
C[NH+](C)CCN(Cc1ccco1)C(=O)[C@]1(C)CC1(Cl)Cl C[C@@]1(CC1(Cl)Cl)[*:1] C[NH+](C)CCN(Cc1ccco1)C(=O)[*:1]
C[NH+](C)CCN(Cc1ccco1)C(=O)[C@]1(C)CC1(Cl)Cl c1coc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)[C@]1(C)CC1(Cl)Cl
C[NH+](C)CC(=O)Nc1ccc(NC(=O)Nc2nccs2)cc1 c1csc(n1)[*:1] C[NH+](C)CC(=O)Nc1ccc(cc1)NC(=O)N[*:1]
CC(=O)NCc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 CC(=O)N[*:1] O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(cc1)C[*:1]
CC(=O)NCc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 CC(=O)NC[*:1] O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(cc1)[*:1]
CCn1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cn1 CCn1cc(cn1)[*:1] N#Cc1ccc(c(F)c1)N1CCC(CC1)C(=O)N[*:1]
C[C@@H]1C[C@H]1C(=O)NCc1ccccc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] C[C@@H]1C[C@H]1C(=O)NCc1ccccc1[*:1]
CC(=O)n1c(COc2ccccc2)nc2ccccc21 c1ccc(cc1)[*:1] CC(=O)n1c(CO[*:1])nc2ccccc21
CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)CCSC CSC[*:1] CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)C[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)CCSC CSCC[C@H](C)[*:1] CCN(Cc1cccc(Cl)c1)C(=O)N[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)CCSC CSCC[*:1] CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)[*:1]
CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CCC[C@]1(NC(=O)N(CC(=O)N(C)C[*:1])C1=O)c1ccccc1
CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CCC[C@]1(NC(=O)N(CC(=O)N(C)[*:1])C1=O)c1ccccc1
CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O CCC[*:1] CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C1=O)(c1ccccc1)[*:1]
CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CCC[C@]1(NC(=O)N(CC(=O)N(C)Cc2ccccc2)C1=O)[*:1]
C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)c3ccc[nH]3)CC2)C1 c1c[nH]c(c1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)CN1CCN(CC1)C(=O)[*:1]
C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1CCCC[C@@H]1CO c1ncn(C[*:1])n1 C[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)[*:1]
C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1CCCC[C@@H]1CO c1ncn(n1)[*:1] C[C@@H](C[*:1])NC(=O)N[C@@H]1CCCC[C@@H]1CO
N#C[C@H](COC(=O)[C@@H]1CCOc2ccccc21)Cc1cccs1 c1csc(c1)[*:1] N#C[C@H](COC(=O)[C@@H]1CCOc2ccccc21)C[*:1]
N#C[C@H](COC(=O)[C@@H]1CCOc2ccccc21)Cc1cccs1 c1csc(c1)C[*:1] N#C[C@H](COC(=O)[C@@H]1CCOc2ccccc21)[*:1]
[NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 FC(F)O[*:1] [NH3+]C1(CO)CCN(CC1)c1ccc(c(c1)[*:1])[N+](=O)[O-]
[NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 FC(F)[*:1] [NH3+]C1(CO)CCN(CC1)c1ccc(c(c1)O[*:1])[N+](=O)[O-]
[NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 O=[N+]([O-])[*:1] [NH3+]C1(CO)CCN(CC1)c1ccc(c(c1)OC(F)F)[*:1]
O=C(c1ccc(CN2C(=O)CCn3nccc32)cc1)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(c1ccc(cc1)CN1C(=O)CCn2nccc21)N1CCN(CC1)[*:1]
CC(C)(O)CCOc1ccc2c(c1)OC(C)(C)C[C@H]2[NH3+] CC(C)(O)CC[*:1] CC1(C)C[C@@H]([NH3+])c2ccc(cc2O1)O[*:1]
CC(C)(O)CCOc1ccc2c(c1)OC(C)(C)C[C@H]2[NH3+] CC(C)(O)C[*:1] CC1(C)C[C@@H]([NH3+])c2ccc(cc2O1)OC[*:1]
CC(C)(O)CCOc1ccc2c(c1)OC(C)(C)C[C@H]2[NH3+] CC(C)(O)[*:1] CC1(C)C[C@@H]([NH3+])c2ccc(cc2O1)OCC[*:1]
CCOC(=O)[C@@H]1C(=O)N=C(N2CC[NH+](CC)CC2)N[C@@H]1c1ccccc1OC COc1ccccc1[*:1] CCOC(=O)[C@@H]1C(=O)N=C(N[C@H]1[*:1])N1CC[NH+](CC)CC1
CCOC(=O)[C@@H]1C(=O)N=C(N2CC[NH+](CC)CC2)N[C@@H]1c1ccccc1OC CCOC(=O)[*:1] CC[NH+]1CCN(CC1)C1=NC(=O)[C@H]([C@H](N1)c1ccccc1OC)[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)NCCc1nnc2n1CCC2 CC(C)[*:1] C[C@H]1CC[C@H]([C@@H](C1)NC(=O)NCCc1nnc2CCCn21)[*:1]
CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)NCCc1nnc2n1CCC2 C1Cc2nnc(n2C1)[*:1] CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)NCC[*:1]
C[C@@H](O)CCC(=O)N(C)CC(=O)N(C)C C[C@@H](O)[*:1] CN(C)C(=O)CN(C)C(=O)CC[*:1]
C[C@@H](O)CCC(=O)N(C)CC(=O)N(C)C C[C@@H](O)C[*:1] CN(C)C(=O)CN(C)C(=O)C[*:1]
C[C@@H](O)CCC(=O)N(C)CC(=O)N(C)C CN(C)C(=O)[*:1] C[C@@H](O)CCC(=O)N(C)C[*:1]
C[C@@H](O)CCC(=O)N(C)CC(=O)N(C)C C[C@@H](O)CC[*:1] CN(C)C(=O)CN(C)C(=O)[*:1]
CC[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1nc(cs1)[*:1]
O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)C[*:1] O=C(C[C@H]1C=CCC1)N1CCC[C@H]1[*:1]
O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1Cn1cccn1 c1cnn(c1)[*:1] O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1C[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 C[C@@H](c1ccc(F)cc1)[*:1] CN(C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 Fc1ccc(cc1)[*:1] C[C@@H](N(C)C(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC[C@@H]1CCCN(C1)[*:1]
O=C(Nc1nnn[n-]1)c1occc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1nnn[n-]1)c1occc1[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C Cc1noc(C)c1[*:1] C[C@@H](NC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C)[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C CC(C)(C)[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)C[*:1]
Cc1noc(C)c1[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C CC(C)(C)C[*:1] Cc1noc(C)c1[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[*:1]
Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccoc1C O=[N+]([O-])[*:1] Cc1ccc(cc1OC(=O)c1ccoc1C)[*:1]
Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccoc1C Cc1occc1[*:1] Cc1ccc(cc1OC(=O)[*:1])[N+](=O)[O-]
CCCOc1ccc(CCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 CCC[*:1] O=C(CCc1ccc(cc1)O[*:1])N[C@H]1CCS(=O)(=O)C1
CCCOc1ccc(CCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 CCCO[*:1] O=C(CCc1ccc(cc1)[*:1])N[C@H]1CCS(=O)(=O)C1
C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)NCc1ccc2c(c1)OCO2 c1ccc2[nH]c(cc2c1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)NCc1ccc2OCOc2c1
C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)NCc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)NC[*:1]
O=S(=O)(c1cccc2ccccc12)N1CCCN(c2ncccn2)CC1 c1cnc(nc1)[*:1] O=S(=O)(c1cccc2ccccc12)N1CCCN(CC1)[*:1]
COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C3=O Clc1ccc(cc1)[*:1] COc1ccc2cc3C(=O)N(C[*:1])[C@@](C)(Cn3c2c1)C(=O)NC1CCCC1
COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C3=O C1CCC(C1)[*:1] COc1ccc2cc3C(=O)N(Cc4ccc(Cl)cc4)[C@@](C)(Cn3c2c1)C(=O)N[*:1]
COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C3=O O=C(NC1CCCC1)[*:1] COc1ccc2cc3C(=O)N(Cc4ccc(Cl)cc4)[C@](C)(Cn3c2c1)[*:1]
COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C3=O Clc1ccc(cc1)C[*:1] COc1ccc2cc3C(=O)N([C@@](C)(Cn3c2c1)C(=O)NC1CCCC1)[*:1]
Cc1ccc(NC(=S)NC(=O)C2CC2)c(C)c1 C1CC1[*:1] Cc1ccc(NC(=S)NC(=O)[*:1])c(C)c1
Nc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1F O=C([O-])[*:1] Nc1ccc(cc1F)OCc1ccc(cc1)[*:1]
O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N[*:1]
O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)NC[*:1]
COCCO[C@@H](C)C(=O)NCc1cccnc1 COCC[*:1] C[C@H](O[*:1])C(=O)NCc1cccnc1
COCCO[C@@H](C)C(=O)NCc1cccnc1 COCCO[*:1] C[C@@H](C(=O)NCc1cccnc1)[*:1]
COCCO[C@@H](C)C(=O)NCc1cccnc1 COC[*:1] C[C@H](OC[*:1])C(=O)NCc1cccnc1
Cc1ccc(C(=O)N2CCC(CCC(=O)N3CCOCC3)CC2)cn1 O=C(N1CCOCC1)[*:1] Cc1ccc(cn1)C(=O)N1CCC(CC1)CC[*:1]
Cc1ccc(C(=O)N2CCC(CCC(=O)N3CCOCC3)CC2)cn1 Cc1ccc(cn1)[*:1] O=C(CCC1CCN(CC1)C(=O)[*:1])N1CCOCC1
Nc1nc(N)nc(COC(=O)c2ccccc2Cc2ccccc2)n1 c1ccc(cc1)C[*:1] Nc1nc(N)nc(COC(=O)c2ccccc2[*:1])n1
Nc1nc(N)nc(COC(=O)c2ccccc2Cc2ccccc2)n1 c1ccc(cc1)[*:1] Nc1nc(N)nc(COC(=O)c2ccccc2C[*:1])n1
Nc1nc(N)nc(COC(=O)c2ccccc2Cc2ccccc2)n1 Nc1nc(N)nc(n1)[*:1] O=C(OC[*:1])c1ccccc1Cc1ccccc1
CCOc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Cl)c1O c1ccc(cc1)[*:1] CCOc1cc(/C=N/c2c(C)n(C)n(c2=O)[*:1])cc(Cl)c1O
CCOc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Cl)c1O CCO[*:1] Cc1c(/N=C/c2cc(Cl)c(O)c(c2)[*:1])c(=O)n(-c2ccccc2)n1C
COc1cc(NC(=O)CS[C@H](C)c2ccccc2)cc(OC)c1 c1ccc(cc1)[*:1] COc1cc(cc(c1)OC)NC(=O)CS[C@H](C)[*:1]
Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)ccc1N1CCCC1=O Clc1cccc(c1)[*:1] Cc1cc(ccc1N1CCCC1=O)NC(=O)[C@H](C)NS(=O)(=O)[*:1]
Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)ccc1N1CCCC1=O O=C1CCCN1[*:1] Cc1cc(ccc1[*:1])NC(=O)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1
Cc1ccccc1C(=O)NC1CCN(C(=O)NCc2ccccc2F)CC1 Fc1ccccc1C[*:1] Cc1ccccc1C(=O)NC1CCN(CC1)C(=O)N[*:1]
Cc1ccccc1C(=O)NC1CCN(C(=O)NCc2ccccc2F)CC1 Cc1ccccc1[*:1] O=C(NCc1ccccc1F)N1CCC(CC1)NC(=O)[*:1]
Cc1ccccc1C(=O)NC1CCN(C(=O)NCc2ccccc2F)CC1 Fc1ccccc1[*:1] Cc1ccccc1C(=O)NC1CCN(CC1)C(=O)NC[*:1]
CC[C@H](C)Sc1nnnn1-c1cccc(NC(C)=O)c1 CC(=O)N[*:1] CC[C@H](C)Sc1nnnn1-c1cccc(c1)[*:1]
CC[C@H](C)Sc1nnnn1-c1cccc(NC(C)=O)c1 CC[C@H](C)[*:1] CC(=O)Nc1cccc(c1)-n1nnnc1S[*:1]
CC[C@H](C)Sc1nnnn1-c1cccc(NC(C)=O)c1 CC[C@H](C)S[*:1] CC(=O)Nc1cccc(c1)-n1nnnc1[*:1]
C[C@H](C(=O)NCC[S@](C)=O)c1ccc2ccccc2c1 C[S@](=O)C[*:1] C[C@H](C(=O)NC[*:1])c1ccc2ccccc2c1
C[C@H](C(=O)NCC[S@](C)=O)c1ccc2ccccc2c1 C[S@](=O)[*:1] C[C@H](C(=O)NCC[*:1])c1ccc2ccccc2c1
O=C([O-])CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1 Fc1ccc(cc1)[*:1] O=C([O-])CCC(=O)N1N=C(C[C@@H]1c1ccc2nccnc2c1)[*:1]
O=C([O-])CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1 O=C([O-])CC[*:1] O=C(N1N=C(C[C@@H]1c1ccc2nccnc2c1)c1ccc(F)cc1)[*:1]
O=C([O-])CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1 O=C([O-])[*:1] O=C(CC[*:1])N1N=C(C[C@@H]1c1ccc2nccnc2c1)c1ccc(F)cc1
O=C([O-])CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1 O=C([O-])C[*:1] O=C(C[*:1])N1N=C(C[C@@H]1c1ccc2nccnc2c1)c1ccc(F)cc1
C#Cc1cccc(NC(=O)CNC(=O)/C=C/c2ccc(OC)c(F)c2)c1 C#Cc1cccc(c1)[*:1] COc1ccc(/C=C/C(=O)NCC(=O)N[*:1])cc1F
C[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1 O=C1CCC(=O)N1[*:1] C[C@H](NC(=O)c1ccc(cc1)C[*:1])c1ccccc1
C[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1 O=C1CCC(=O)N1C[*:1] C[C@H](NC(=O)c1ccc(cc1)[*:1])c1ccccc1
C[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1 C[C@H](c1ccccc1)[*:1] O=C(N[*:1])c1ccc(cc1)CN1C(=O)CCC1=O
C[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(cc1)CN1C(=O)CCC1=O)[*:1]
COCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O COC[*:1] O=C1/C(=C/c2ccccc2F)Oc2cc(ccc21)OC(=O)[*:1]
COCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O Fc1ccccc1[*:1] COCC(=O)Oc1ccc2C(=O)C(=C[*:1])Oc2c1
COCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O COCC(=O)O[*:1] O=C1/C(=C/c2ccccc2F)Oc2cc(ccc21)[*:1]
COCc1ccccc1CNC(=O)c1c(C)c(C)nn(C)c1=O COC[*:1] Cc1nn(C)c(=O)c(C(=O)NCc2ccccc2[*:1])c1C
Nc1ccc(Nc2ccc(F)cc2F)nc1OCC1CC1 C1CC1CO[*:1] Nc1ccc(nc1[*:1])Nc1ccc(F)cc1F
Nc1ccc(Nc2ccc(F)cc2F)nc1OCC1CC1 C1CC1[*:1] Nc1ccc(nc1OC[*:1])Nc1ccc(F)cc1F
Nc1ccc(Nc2ccc(F)cc2F)nc1OCC1CC1 C1CC1C[*:1] Nc1ccc(nc1O[*:1])Nc1ccc(F)cc1F
CCn1cc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cn1 CCn1cc(cn1)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)C(=O)N[*:1]
CC(C)CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@@H]1CCc3nn(C)c(=O)n3C1)C2 CC(C)CC[*:1] Cn1nc2CC[C@H](Cn2c1=O)C(=O)N1CCc2c(C1)c(nn2[*:1])C(=O)[O-]
CC(C)CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@@H]1CCc3nn(C)c(=O)n3C1)C2 CC(C)[*:1] Cn1nc2CC[C@H](Cn2c1=O)C(=O)N1CCc2c(C1)c(nn2CC[*:1])C(=O)[O-]
CC(C)CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@@H]1CCc3nn(C)c(=O)n3C1)C2 O=C([O-])[*:1] CC(C)CCn1nc(c2CN(CCc21)C(=O)[C@@H]1CCc2nn(C)c(=O)n2C1)[*:1]
CC(C)CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@@H]1CCc3nn(C)c(=O)n3C1)C2 CC(C)C[*:1] Cn1nc2CC[C@H](Cn2c1=O)C(=O)N1CCc2c(C1)c(nn2C[*:1])C(=O)[O-]
Cc1ccc(OC[C@@H](C)NC(=O)Cn2cccnc2=O)cc1 Cc1ccc(cc1)[*:1] C[C@H](CO[*:1])NC(=O)Cn1cccnc1=O
Cc1ccc(OC[C@@H](C)NC(=O)Cn2cccnc2=O)cc1 O=c1ncccn1[*:1] Cc1ccc(cc1)OC[C@@H](C)NC(=O)C[*:1]
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCc1ccco1 c1coc(c1)C[*:1] Cc1ccc(cc1O[C@H](C)C(=O)N[*:1])C(C)C
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCc1ccco1 CC(C)[*:1] Cc1ccc(cc1O[C@H](C)C(=O)NCc1ccco1)[*:1]
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCc1ccco1 c1coc(c1)[*:1] Cc1ccc(cc1O[C@H](C)C(=O)NC[*:1])C(C)C
C[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccs1 C[C@H](c1cccs1)[*:1] CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][*:1])C1
C[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccs1 CC(C)(C)[*:1] C[C@H]([NH2+]C[C@H]1CCN(C1)C(=O)O[*:1])c1cccs1
C[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccs1 c1csc(c1)[*:1] C[C@H]([NH2+]C[C@H]1CCN(C1)C(=O)OC(C)(C)C)[*:1]
CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1nc2ccccc2o1 CC(C)(C)[*:1] O=C(O[*:1])N1CCCC[C@@H]1COc1nc2ccccc2o1
Cc1[nH]ncc1CCCNC(=O)N[C@H](C)c1ccc(Br)cc1 Cc1[nH]ncc1C[*:1] C[C@@H](NC(=O)NCC[*:1])c1ccc(Br)cc1
Cc1[nH]ncc1CCCNC(=O)N[C@H](C)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] Cc1[nH]ncc1CCCNC(=O)N[C@H](C)[*:1]
Cc1[nH]ncc1CCCNC(=O)N[C@H](C)c1ccc(Br)cc1 Cc1[nH]ncc1[*:1] C[C@@H](NC(=O)NCCC[*:1])c1ccc(Br)cc1
CCC[C@@H]1CN(C(=O)CCc2nc(-c3ccncc3)no2)CCO1 CCC[*:1] O=C(CCc1nc(no1)-c1ccncc1)N1CCO[C@@H](C1)[*:1]
CCC[C@@H]1CN(C(=O)CCc2nc(-c3ccncc3)no2)CCO1 c1cc(ccn1)[*:1] CCC[C@@H]1CN(CCO1)C(=O)CCc1nc(no1)[*:1]
C[C@H](NCCC[NH+]1CCN(c2ccccc2F)CC1)c1nccs1 C[C@H](c1nccs1)[*:1] Fc1ccccc1N1CC[NH+](CCCN[*:1])CC1
C[C@H](NCCC[NH+]1CCN(c2ccccc2F)CC1)c1nccs1 c1csc(n1)[*:1] C[C@H](NCCC[NH+]1CCN(CC1)c1ccccc1F)[*:1]
C[C@H](NCCC[NH+]1CCN(c2ccccc2F)CC1)c1nccs1 C[C@H](N[*:1])c1nccs1 Fc1ccccc1N1CC[NH+](CCC[*:1])CC1
C[C@H](NCCC[NH+]1CCN(c2ccccc2F)CC1)c1nccs1 Fc1ccccc1[*:1] C[C@H](NCCC[NH+]1CCN(CC1)[*:1])c1nccs1
CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2ccc(F)cn2)c1 CC(=O)N[*:1] N#C[C@H](C(=O)c1cccc(c1)[*:1])c1ccc(F)cn1
CC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2ccc(F)cn2)c1 Fc1ccc(nc1)[*:1] CC(=O)Nc1cccc(c1)C(=O)[C@@H](C#N)[*:1]
Cc1cccc(N2CCN(C(=O)Nc3cccnc3C)CC2)c1 Cc1cccc(c1)[*:1] Cc1ncccc1NC(=O)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(C(=O)Nc3cccnc3C)CC2)c1 Cc1ncccc1[*:1] Cc1cccc(c1)N1CCN(CC1)C(=O)N[*:1]
CO[C@@H](CNC(=O)CC[C@@H]1CCCO1)c1ccc(F)cc1 C1CO[C@@H](C1)C[*:1] CO[C@@H](CNC(=O)C[*:1])c1ccc(F)cc1
CO[C@@H](CNC(=O)CC[C@@H]1CCCO1)c1ccc(F)cc1 C1CO[C@@H](C1)[*:1] CO[C@@H](CNC(=O)CC[*:1])c1ccc(F)cc1
CO[C@@H](CNC(=O)CC[C@@H]1CCCO1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNC(=O)CC[C@@H]1CCCO1)[*:1]
CO[C@@H](CNC(=O)CC[C@@H]1CCCO1)c1ccc(F)cc1 C1CO[C@@H](C1)CC[*:1] CO[C@@H](CNC(=O)[*:1])c1ccc(F)cc1
O=C([C@@H]1CCCS1)N1CCc2cc(Br)sc2C1 C1CS[C@@H](C1)[*:1] O=C(N1CCc2cc(Br)sc2C1)[*:1]
CCc1c(C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)cnn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1c(cnn1[*:1])C(=O)Nc1ccc(Cl)c(c1)C(=O)NC
CCc1c(C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)cnn1-c1ccc(F)cc1 CNC(=O)[*:1] CCc1c(cnn1-c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(c1)[*:1]
C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2cc3c(cc2Br)OCCO3)C1=O c1ccc2c(cccc2c1)[*:1] C[C@@]1(NC(=O)N(Cc2cc3OCCOc3cc2Br)C1=O)[*:1]
CC[C@@H](C[C@H](C)CC)[NH2+]CC1CCCC1 C1CCC(C1)[*:1] CC[C@@H](C[C@H](C)CC)[NH2+]C[*:1]
CC[C@@H](C[C@H](C)CC)[NH2+]CC1CCCC1 CC[C@@H](C)[*:1] CC[C@@H](C[*:1])[NH2+]CC1CCCC1
CC[C@@H](C[C@H](C)CC)[NH2+]CC1CCCC1 CC[C@@H](C)C[*:1] CC[C@@H]([NH2+]CC1CCCC1)[*:1]
CS[C@@H]1CC[C@H](NC(=O)c2nn(-c3ccccc3C)c3c2CCC3)C1 Cc1ccccc1[*:1] CS[C@@H]1CC[C@@H](C1)NC(=O)c1nn(c2CCCc12)[*:1]
CCOC(=O)N1C2=C(CCC2)S[C@H]1NC(=S)Nc1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCOC(=O)N1C2CCCC=2S[C@H]1NC(=S)N[*:1]
Cc1nnc(-c2ccc(C(=O)NCC(C)(C)c3ccncc3)cc2)o1 c1cc(ccn1)[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)NCC(C)(C)[*:1]
Cc1nnc(-c2ccc(C(=O)NCC(C)(C)c3ccncc3)cc2)o1 Cc1nnc(o1)[*:1] CC(C)(CNC(=O)c1ccc(cc1)[*:1])c1ccncc1
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)c1nc(C#N)c(C#N)nc12 Brc1ccc(cc1)[*:1] CC1(C)[C@@H]2CC[C@@]1(C(=O)NNC(=O)[*:1])c1nc(C#N)c(C#N)nc12
Cc1nn2ccccc2c1C(=O)NCCNC(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] Cc1nn2ccccc2c1C(=O)NCCNC(=O)N[*:1]
Cc1nn2ccccc2c1C(=O)NCCNC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] Cc1nn2ccccc2c1C(=O)NCCNC(=O)NC[*:1]
O=[N+]([O-])c1ccc2c(c1)CN(CCc1ccccn1)CC2 c1ccc(C[*:1])nc1 O=[N+]([O-])c1ccc2CCN(Cc2c1)C[*:1]
O=[N+]([O-])c1ccc2c(c1)CN(CCc1ccccn1)CC2 O=[N+]([O-])[*:1] c1ccc(CCN2CCc3ccc(cc3C2)[*:1])nc1
O=[N+]([O-])c1ccc2c(c1)CN(CCc1ccccn1)CC2 c1ccc(nc1)[*:1] O=[N+]([O-])c1ccc2CCN(CC[*:1])Cc2c1
CCCCCC(=O)N[C@H]1CC[C@H](SC)C1 CCCC[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)C[*:1]
CCCCCC(=O)N[C@H]1CC[C@H](SC)C1 CCCCC[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)[*:1]
CCCCCC(=O)N[C@H]1CC[C@H](SC)C1 CCC[*:1] CS[C@H]1CC[C@@H](C1)NC(=O)CC[*:1]
CC(C)(C)c1ncc(CN2CCOCC23CCC3)s1 CC(C)(C)[*:1] c1nc(sc1CN1CCOCC12CCC2)[*:1]
Cc1cnc(N2C[C@H]3[C@@H](C2)C3(C)C)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cnc(c(c1)[*:1])N1C[C@H]2[C@@H](C1)C2(C)C
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 O=C([O-])[*:1] COc1cccc(c1)NC(=O)/C(C#N)=C\c1ccc(cc1)O[C@@H](C)[*:1]
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 COc1cccc(c1)[*:1] C[C@H](Oc1ccc(/C=C(/C#N)C(=O)N[*:1])cc1)C(=O)[O-]
CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC(C)(C)O CC[C@H](C)[*:1] CN(CC(C)(C)O)C(=O)[C@H]([NH3+])[*:1]
CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC(C)(C)O CC(C)(O)C[*:1] CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)[*:1]
CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC(C)(C)O CC(C)(O)[*:1] CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 CS(=O)(=O)N[*:1] C[C@@H](C(=O)NC[C@H]1CCC(C)(C)c2ccccc21)[*:1]
C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 C[C@@H](NS(C)(=O)=O)[*:1] CC1(C)CC[C@H](CNC(=O)[*:1])c2ccccc21
CC(=O)c1ccc(NC(=O)CCN2CCc3cc(F)ccc3C2)cc1 CC(=O)[*:1] O=C(CCN1CCc2cc(F)ccc2C1)Nc1ccc(cc1)[*:1]
CCNC(=O)CNc1cc(C)c([N+](=O)[O-])cn1 CCNC(=O)[*:1] Cc1cc(ncc1[N+](=O)[O-])NC[*:1]
CCNC(=O)CNc1cc(C)c([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CCNC(=O)CNc1cc(C)c(cn1)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)N[C@H]1CCC[C@@H]([S@@](=O)CC)C1 CC[S@](=O)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N[C@H]1CCC[C@@H](C1)[*:1]
COCCN1C(=O)C[C@@](CC(=O)N2CCCC[C@H]2c2ccccn2)(c2ccccc2Cl)C1=O COCC[*:1] O=C(C[C@]1(CC(=O)N(C1=O)[*:1])c1ccccc1Cl)N1CCCC[C@H]1c1ccccn1
COCCN1C(=O)C[C@@](CC(=O)N2CCCC[C@H]2c2ccccn2)(c2ccccc2Cl)C1=O Clc1ccccc1[*:1] COCCN1C(=O)C[C@@](CC(=O)N2CCCC[C@H]2c2ccccn2)(C1=O)[*:1]
COCCN1C(=O)C[C@@](CC(=O)N2CCCC[C@H]2c2ccccn2)(c2ccccc2Cl)C1=O c1ccc(nc1)[*:1] COCCN1C(=O)C[C@](CC(=O)N2CCCC[C@@H]2[*:1])(C1=O)c1ccccc1Cl
COCCN1C(=O)C[C@@](CC(=O)N2CCCC[C@H]2c2ccccn2)(c2ccccc2Cl)C1=O COC[*:1] O=C1C[C@](CC(=O)N2CCCC[C@H]2c2ccccn2)(C(=O)N1C[*:1])c1ccccc1Cl
N#C[C@@H]1CN(Cc2ccn(C3CCCCC3)n2)CCO1 C1CCC(CC1)[*:1] N#C[C@@H]1CN(CCO1)Cc1ccn(n1)[*:1]
Cc1nc(C(=O)N2[C@@H](C)[C@H](c3ccccc3)OC[C@H]2C)ccc1C#N c1ccc(cc1)[*:1] Cc1nc(ccc1C#N)C(=O)N1[C@@H](C)[C@H](OC[C@H]1C)[*:1]
O[C@H](Cc1nc2ccccc2n1C1CC1)C(F)(F)F FC(F)(F)[*:1] O[C@H](Cc1nc2ccccc2n1C1CC1)[*:1]
O[C@H](Cc1nc2ccccc2n1C1CC1)C(F)(F)F C1CC1[*:1] O[C@H](Cc1nc2ccccc2n1[*:1])C(F)(F)F
Cc1ccc(-c2nc(NC(=O)c3cccs3)sc2C)cc1Cl c1csc(c1)[*:1] Cc1ccc(cc1Cl)-c1nc(NC(=O)[*:1])sc1C
CC[C@H](C)N1C(N)=[NH+]C[C@H]1c1cccc(C(F)(F)F)c1 CC[C@H](C)[*:1] NC1=[NH+]C[C@@H](c2cccc(c2)C(F)(F)F)N1[*:1]
CC[C@H](C)N1C(N)=[NH+]C[C@H]1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC[C@H](C)N1C(N)=[NH+]C[C@H]1c1cccc(c1)[*:1]
COc1ccccc1-c1ccc(NC(=O)C[C@@]2(C)C(=O)N=C3C=CC=CN32)cc1 COc1ccccc1[*:1] C[C@]1(CC(=O)Nc2ccc(cc2)[*:1])C(=O)N=C2C=CC=CN21
C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)o1 c1coc(c1)C[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc(c2)[N+](=O)[O-])[*:1])o1
C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc(c2)[*:1])o1
C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)o1 O=[N+]([O-])c1cccc(c1)[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccco2)C(=O)[*:1])o1
C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)o1 c1coc(c1)[*:1] C[C@@H]1C[C@@H]1c1ccc(CN(C[*:1])C(=O)c2cccc(c2)[N+](=O)[O-])o1
CCC[C@H]1C[NH2+]CC[C@@H]1c1cnn(-c2ccccc2)c1 CCC[*:1] c1ccc(cc1)-n1cc(cn1)[C@H]1CC[NH2+]C[C@@H]1[*:1]
CCC[C@H]1C[NH2+]CC[C@@H]1c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] CCC[C@H]1C[NH2+]CC[C@@H]1c1cnn(c1)[*:1]
COc1ccc(CS(=O)(=O)CCOC(C)C)cc1Br CC(C)O[*:1] COc1ccc(cc1Br)CS(=O)(=O)CC[*:1]
COc1ccc(CS(=O)(=O)CCOC(C)C)cc1Br CC(C)OC[*:1] COc1ccc(cc1Br)CS(=O)(=O)C[*:1]
COc1ccc(CS(=O)(=O)CCOC(C)C)cc1Br CC(C)[*:1] COc1ccc(cc1Br)CS(=O)(=O)CCO[*:1]
COc1ccc(CS(=O)(=O)CCOC(C)C)cc1Br CC(C)OCC[*:1] COc1ccc(cc1Br)CS(=O)(=O)[*:1]
CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(C)cc1)C2=O Cc1ccc(cc1)[*:1] CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[*:1])C2=O
CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(C)cc1)C2=O Cc1ccc(cc1)C[*:1] CCC1CCC2(CC1)NC(=O)N(CC(=O)N[*:1])C2=O
CN(c1ccccc1C(N)=O)S(=O)(=O)c1cc(Cl)ccc1Cl NC(=O)[*:1] CN(c1ccccc1[*:1])S(=O)(=O)c1cc(Cl)ccc1Cl
Cc1ccc(C)n1CCN1CCN(S(=O)(=O)c2cnn(C)c2)CC1 Cc1ccc(C)n1[*:1] Cn1cc(cn1)S(=O)(=O)N1CCN(CC1)CC[*:1]
Cc1ccc(C)n1CCN1CCN(S(=O)(=O)c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] Cc1ccc(C)n1CCN1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(C)n1CCN1CCN(S(=O)(=O)c2cnn(C)c2)CC1 Cc1ccc(C)n1C[*:1] Cn1cc(cn1)S(=O)(=O)N1CCN(CC1)C[*:1]
C[C@@H](Oc1ccc(F)cc1F)C(=O)NCc1ccc(C(=O)[O-])cc1 Fc1ccc(c(F)c1)[*:1] C[C@@H](O[*:1])C(=O)NCc1ccc(cc1)C(=O)[O-]
C[C@@H](Oc1ccc(F)cc1F)C(=O)NCc1ccc(C(=O)[O-])cc1 O=C([O-])[*:1] C[C@@H](Oc1ccc(F)cc1F)C(=O)NCc1ccc(cc1)[*:1]
O=C(CS[C@H]1NN=C(c2cccs2)N1C1CC1)C1=CC(C(=O)N2CCCC2)=NC1 c1csc(c1)[*:1] O=C(CS[C@H]1NN=C(N1C1CC1)[*:1])C1=CC(=NC1)C(=O)N1CCCC1
O=C(CS[C@H]1NN=C(c2cccs2)N1C1CC1)C1=CC(C(=O)N2CCCC2)=NC1 C1CC1[*:1] O=C(CS[C@H]1NN=C(c2cccs2)N1[*:1])C1=CC(=NC1)C(=O)N1CCCC1
Cc1noc(C)c1CCCNC(=O)N1CCCC[C@H]1CN1CCCC1=O O=C1CCCN1C[*:1] Cc1noc(C)c1CCCNC(=O)N1CCCC[C@@H]1[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCCC[C@H]1CN1CCCC1=O Cc1noc(C)c1[*:1] O=C1CCCN1C[C@@H]1CCCCN1C(=O)NCCC[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCCC[C@H]1CN1CCCC1=O O=C1CCCN1[*:1] Cc1noc(C)c1CCCNC(=O)N1CCCC[C@H]1C[*:1]
Cc1noc(C)c1CCCNC(=O)N1CCCC[C@H]1CN1CCCC1=O Cc1noc(C)c1C[*:1] O=C1CCCN1C[C@@H]1CCCCN1C(=O)NCC[*:1]
Cc1cc(F)c([C@H](C)C(=O)[O-])cc1F O=C([O-])[*:1] Cc1cc(F)c(cc1F)[C@H](C)[*:1]
OC1(C#Cc2ccccn2)C2CC3CC(C2)CC1C3 c1ccc(nc1)[*:1] OC1(C#C[*:1])C2CC3CC(C2)CC1C3
C[NH+](CCC(=O)NCc1ccco1)Cc1cnc2ccccc2c1 c1coc(c1)[*:1] C[NH+](CCC(=O)NC[*:1])Cc1cnc2ccccc2c1
C[NH+](CCC(=O)NCc1ccco1)Cc1cnc2ccccc2c1 c1coc(c1)C[*:1] C[NH+](CCC(=O)N[*:1])Cc1cnc2ccccc2c1
COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 CC(C)(C)[*:1] COc1ccc(cc1S(=O)(=O)N1CCN(CC1)C(C)=O)[*:1]
C[C@H]1C[C@@H]1NC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 FC(F)O[*:1] C[C@H]1C[C@@H]1NC(=O)c1c[nH]nc1-c1cccc(c1)[*:1]
C[C@H]1C[C@@H]1NC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 FC(F)[*:1] C[C@H]1C[C@@H]1NC(=O)c1c[nH]nc1-c1cccc(c1)O[*:1]
CSc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)C[NH+](C)C)c1 O=[N+]([O-])[*:1] CSc1ccc(c(c1)C(=O)NCC(C)(C)C[NH+](C)C)[*:1]
Cc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2[O-])cc1C Cc1ccc(cc1C)[*:1] Cc1c(C(=O)[C@@H](C)O[*:1])c([O-])n(c(=O)c1C#N)C1CCCC1
Cc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2[O-])cc1C C1CCC(C1)[*:1] Cc1ccc(cc1C)O[C@H](C)C(=O)c1c(C)c(C#N)c(=O)n(c1[O-])[*:1]
Cc1ccc(O[C@H](C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2[O-])cc1C Cc1ccc(cc1C)O[*:1] Cc1c(C(=O)[C@@H](C)[*:1])c([O-])n(c(=O)c1C#N)C1CCCC1
COc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc([N+](=O)[O-])c1[O-] O=[N+]([O-])[*:1] COc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc(c1[O-])[*:1]
O[C@H](c1ccc(Br)c2ccccc12)[C@@H]1CCCOC1 C1COC[C@@H](C1)[*:1] O[C@H](c1ccc(Br)c2ccccc12)[*:1]
CCOc1ccc(CCN2CC(=O)N3CCC[C@@H](c4cc(O)ccc4O)[C@H]3C2=O)cc1 CCOc1ccc(cc1)C[*:1] O=C1[C@@H]2[C@@H](CCCN2C(=O)CN1C[*:1])c1cc(O)ccc1O
CCOc1ccc(CCN2CC(=O)N3CCC[C@@H](c4cc(O)ccc4O)[C@H]3C2=O)cc1 Oc1ccc(O)c(c1)[*:1] CCOc1ccc(cc1)CCN1CC(=O)N2CCC[C@@H]([C@H]2C1=O)[*:1]
CCOc1ccc(CCN2CC(=O)N3CCC[C@@H](c4cc(O)ccc4O)[C@H]3C2=O)cc1 CCO[*:1] O=C1[C@@H]2[C@@H](CCCN2C(=O)CN1CCc1ccc(cc1)[*:1])c1cc(O)ccc1O
CCOc1ccc(CCN2CC(=O)N3CCC[C@@H](c4cc(O)ccc4O)[C@H]3C2=O)cc1 CCOc1ccc(cc1)[*:1] O=C1[C@@H]2[C@@H](CCCN2C(=O)CN1CC[*:1])c1cc(O)ccc1O
CCCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccccn2)C1=O c1ccc(nc1)[*:1] CCCCCNC(=O)CN1C(=O)N[C@@](C)(C1=O)[*:1]
CCCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccccn2)C1=O CCC[*:1] C[C@]1(NC(=O)N(CC(=O)NCC[*:1])C1=O)c1ccccn1
CCCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccccn2)C1=O CCCC[*:1] C[C@]1(NC(=O)N(CC(=O)NC[*:1])C1=O)c1ccccn1
CCCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccccn2)C1=O CCCCC[*:1] C[C@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccccn1
Cc1cc(C)c(C#N)c(NC[C@H](CC(C)C)C(=O)[O-])n1 O=C([O-])[*:1] Cc1cc(C)c(C#N)c(n1)NC[C@H](CC(C)C)[*:1]
Cc1cc(C)c(C#N)c(NC[C@H](CC(C)C)C(=O)[O-])n1 CC(C)[*:1] Cc1cc(C)c(C#N)c(n1)NC[C@H](C[*:1])C(=O)[O-]
Cc1cc(C)c(C#N)c(NC[C@H](CC(C)C)C(=O)[O-])n1 CC(C)C[*:1] Cc1cc(C)c(C#N)c(n1)NC[C@H](C(=O)[O-])[*:1]
Cc1ccccc1[C@H](C)NC(=O)NCCc1nc(C(C)(C)C)cs1 Cc1ccccc1[*:1] C[C@H](NC(=O)NCCc1nc(cs1)C(C)(C)C)[*:1]
Cc1ccccc1[C@H](C)NC(=O)NCCc1nc(C(C)(C)C)cs1 CC(C)(C)[*:1] Cc1ccccc1[C@H](C)NC(=O)NCCc1nc(cs1)[*:1]
CC(=O)N1CCc2c(nc([C@@H]3CCCN3C(=O)[C@@H](C)Oc3ccc(C)cc3)[nH]c2=O)C1 Cc1ccc(cc1)[*:1] CC(=O)N1CCc2c(C1)nc([nH]c2=O)[C@@H]1CCCN1C(=O)[C@@H](C)O[*:1]
CC(=O)N1CCc2c(nc([C@@H]3CCCN3C(=O)[C@@H](C)Oc3ccc(C)cc3)[nH]c2=O)C1 Cc1ccc(cc1)O[*:1] CC(=O)N1CCc2c(C1)nc([nH]c2=O)[C@@H]1CCCN1C(=O)[C@@H](C)[*:1]
CC(=O)N1CCc2c(nc([C@@H]3CCCN3C(=O)[C@@H](C)Oc3ccc(C)cc3)[nH]c2=O)C1 Cc1ccc(cc1)O[C@H](C)[*:1] CC(=O)N1CCc2c(C1)nc([nH]c2=O)[C@@H]1CCCN1C(=O)[*:1]
CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1CCC1 C1CC(C1)[*:1] CCNC(=O)NC(=O)[C@H](C)[NH2+]C[*:1]
CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1CCC1 C1CC(C1)C[*:1] CCNC(=O)NC(=O)[C@H](C)[NH2+][*:1]
Oc1ccc(-n2nnnc2SCc2ccc(Br)cc2F)cc1 Oc1ccc(cc1)[*:1] Fc1cc(Br)ccc1CSc1nnnn1[*:1]
CCCOc1ncnc(NCC[C@H]2CCC[C@H](C)C2)c1N CCCO[*:1] C[C@H]1CCC[C@H](CCNc2ncnc(c2N)[*:1])C1
CCCOc1ncnc(NCC[C@H]2CCC[C@H](C)C2)c1N CCC[*:1] C[C@H]1CCC[C@H](CCNc2ncnc(O[*:1])c2N)C1
CCCOc1ncnc(NCC[C@H]2CCC[C@H](C)C2)c1N C[C@H]1CCC[C@@H](C1)[*:1] CCCOc1ncnc(NCC[*:1])c1N
Cc1cccc(NC2CCN(C(=O)[C@@H](C)CCc3ccccc3F)CC2)[nH+]1 Fc1ccccc1C[*:1] Cc1cccc(NC2CCN(CC2)C(=O)[C@@H](C)C[*:1])[nH+]1
Cc1cccc(NC2CCN(C(=O)[C@@H](C)CCc3ccccc3F)CC2)[nH+]1 Fc1ccccc1[*:1] Cc1cccc(NC2CCN(CC2)C(=O)[C@@H](C)CC[*:1])[nH+]1
Cc1cccc(NC2CCN(C(=O)[C@@H](C)CCc3ccccc3F)CC2)[nH+]1 Fc1ccccc1CC[*:1] Cc1cccc(NC2CCN(CC2)C(=O)[C@@H](C)[*:1])[nH+]1
CC[C@@H]([NH3+])Cc1cc(F)c(O[C@@H](C)COC)c(F)c1 COC[C@H](C)[*:1] CC[C@@H]([NH3+])Cc1cc(F)c(O[*:1])c(F)c1
CC[C@@H]([NH3+])Cc1cc(F)c(O[C@@H](C)COC)c(F)c1 COC[*:1] CC[C@@H]([NH3+])Cc1cc(F)c(O[C@@H](C)[*:1])c(F)c1
CC[C@@H]([NH3+])Cc1cc(F)c(O[C@@H](C)COC)c(F)c1 COC[C@H](C)O[*:1] CC[C@@H]([NH3+])Cc1cc(F)c(c(F)c1)[*:1]
CCN(C(=O)CC[C@H]1CCCO1)c1ccc(C)cc1C C1CO[C@H](C1)[*:1] CCN(C(=O)CC[*:1])c1ccc(C)cc1C
CCN(C(=O)CC[C@H]1CCCO1)c1ccc(C)cc1C C1CO[C@H](C1)C[*:1] CCN(C(=O)C[*:1])c1ccc(C)cc1C
CCc1cc(CNC(=O)CCN2C(=O)COc3ccccc32)on1 CCc1cc(on1)[*:1] O=C(CCN1C(=O)COc2ccccc21)NC[*:1]
CCc1cc(CNC(=O)CCN2C(=O)COc3ccccc32)on1 CCc1cc(C[*:1])on1 O=C(CCN1C(=O)COc2ccccc21)N[*:1]
Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1C1CCCCC1 N#Cc1cccc(c1)[*:1] Cc1nnc(S[C@@H](C)C(=O)N[*:1])n1C1CCCCC1
Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1C1CCCCC1 C1CCC(CC1)[*:1] Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1[*:1]
Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 Cc1ccccc1O[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCN(C1)C(=O)C[*:1]
Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 CC(C)(C)OC(=O)N[*:1] Cc1ccccc1OCC(=O)N1CC[C@H](C1)C[*:1]
Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 Cc1ccccc1[*:1] CC(C)(C)OC(=O)NC[C@@H]1CCN(C1)C(=O)CO[*:1]
Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)O[*:1])C1
C[C@H](Sc1ccccc1Cl)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 Clc1ccccc1S[*:1] C[C@H](C(=O)Nc1cccc(c1)OC[C@H]1CCCO1)[*:1]
C[C@H](Sc1ccccc1Cl)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] C[C@H](Sc1ccccc1Cl)C(=O)Nc1cccc(c1)OC[*:1]
C[C@H](Sc1ccccc1Cl)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] C[C@H](Sc1ccccc1Cl)C(=O)Nc1cccc(c1)O[*:1]
C[C@H](Sc1ccccc1Cl)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 Clc1ccccc1[*:1] C[C@H](S[*:1])C(=O)Nc1cccc(c1)OC[C@H]1CCCO1
C[C@H](Sc1ccccc1Cl)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 C1CO[C@H](C1)CO[*:1] C[C@H](Sc1ccccc1Cl)C(=O)Nc1cccc(c1)[*:1]
O=C(CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N[*:1]
Cc1c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cnn1-c1ccccn1 CC(C)(C)[*:1] Cc1c(cnn1-c1ccccn1)C(=O)Nc1cc(C#N)cn1[*:1]
Cc1c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cc(C#N)cn1C(C)(C)C
CCSc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cn1 CCS[*:1] O=C(NCc1cccc(c1)[N+](=O)[O-])Nc1ccc(nc1)[*:1]
CCSc1ccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cn1 O=[N+]([O-])[*:1] CCSc1ccc(cn1)NC(=O)NCc1cccc(c1)[*:1]
C[NH2+]Cc1cc(Cl)cc(Cl)c1OC/C(Cl)=C/Cl Cl/C=C(\Cl)C[*:1] C[NH2+]Cc1cc(Cl)cc(Cl)c1O[*:1]
C[NH2+]Cc1cc(Cl)cc(Cl)c1OC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] C[NH2+]Cc1cc(Cl)cc(Cl)c1OC[*:1]
O=C1C[C@@H](C(=O)N(Cc2ccccc2F)C2CC2)CN1Cc1ccccn1 Fc1ccccc1C[*:1] O=C1C[C@H](CN1Cc1ccccn1)C(=O)N(C1CC1)[*:1]
O=C1C[C@@H](C(=O)N(Cc2ccccc2F)C2CC2)CN1Cc1ccccn1 c1ccc(nc1)[*:1] O=C1C[C@H](CN1C[*:1])C(=O)N(Cc1ccccc1F)C1CC1
O=C1C[C@@H](C(=O)N(Cc2ccccc2F)C2CC2)CN1Cc1ccccn1 C1CC1[*:1] O=C1C[C@H](CN1Cc1ccccn1)C(=O)N(Cc1ccccc1F)[*:1]
O=C1C[C@@H](C(=O)N(Cc2ccccc2F)C2CC2)CN1Cc1ccccn1 c1ccc(C[*:1])nc1 O=C([C@@H]1CC(=O)N(C1)[*:1])N(Cc1ccccc1F)C1CC1
O=C1C[C@@H](C(=O)N(Cc2ccccc2F)C2CC2)CN1Cc1ccccn1 Fc1ccccc1[*:1] O=C1C[C@H](CN1Cc1ccccn1)C(=O)N(C[*:1])C1CC1
O=S1(=O)CC[C@@H](C(CO)(CO)Cc2cscn2)C1 c1nc(cs1)[*:1] O=S1(=O)CC[C@H](C1)C(CO)(CO)C[*:1]
O=S1(=O)CC[C@@H](C(CO)(CO)Cc2cscn2)C1 c1nc(cs1)C[*:1] O=S1(=O)CC[C@H](C1)C(CO)(CO)[*:1]
CCOC(=O)N1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)sc2C1 c1csc(c1)[*:1] CCOC(=O)N1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)[*:1])sc2C1
CCn1c2ccccc2c2cc(NC(=O)CCOC3CCOCC3)ccc21 C1CC(CCO1)OC[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)C[*:1]
CCn1c2ccccc2c2cc(NC(=O)CCOC3CCOCC3)ccc21 C1CC(CCO1)[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)CCO[*:1]
CCn1c2ccccc2c2cc(NC(=O)CCOC3CCOCC3)ccc21 C1CC(CCO1)O[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)CC[*:1]
CCn1c2ccccc2c2cc(NC(=O)CCOC3CCOCC3)ccc21 C1CC(CCO1)OCC[*:1] CCn1c2ccccc2c2cc(ccc21)NC(=O)[*:1]
Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCC(C)C)C2)nn1 CC(C)C[*:1] Cc1ccccc1-c1ccc(nn1)N1CCC[C@H](C1)C(=O)N[*:1]
Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCC(C)C)C2)nn1 CC(C)[*:1] Cc1ccccc1-c1ccc(nn1)N1CCC[C@H](C1)C(=O)NC[*:1]
Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCC(C)C)C2)nn1 Cc1ccccc1[*:1] CC(C)CNC(=O)[C@@H]1CCCN(C1)c1ccc(nn1)[*:1]
Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCC(C)C)C2)nn1 CC(C)CNC(=O)[*:1] Cc1ccccc1-c1ccc(nn1)N1CCC[C@@H](C1)[*:1]
CCOC(=O)c1c(NC(=S)NC(=O)C(C)(C)C)sc2c1CC[C@@H](C)C2 CC(C)(C)[*:1] CCOC(=O)c1c(NC(=S)NC(=O)[*:1])sc2C[C@H](C)CCc21
CCOC(=O)c1c(NC(=S)NC(=O)C(C)(C)C)sc2c1CC[C@@H](C)C2 CCOC(=O)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=S)NC(=O)C(C)(C)C)c2[*:1]
Cc1ncsc1Cc1nc2c([nH]1)CC(C)(C)CNC2=O Cc1ncsc1[*:1] CC1(C)CNC(=O)c2nc(C[*:1])[nH]c2C1
O=C(NCC(F)(F)F)N1CCC[C@@H](c2nncn2C2CC2)C1 C1CC1[*:1] O=C(NCC(F)(F)F)N1CCC[C@H](C1)c1nncn1[*:1]
O=C(NCC(F)(F)F)N1CCC[C@@H](c2nncn2C2CC2)C1 FC(F)(F)C[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nncn1C1CC1
O=C(NCC(F)(F)F)N1CCC[C@@H](c2nncn2C2CC2)C1 FC(F)(F)[*:1] O=C(NC[*:1])N1CCC[C@H](C1)c1nncn1C1CC1
Cc1ccc2nc(CCCl)n(Cc3nncn3C)c2c1 ClCC[*:1] Cc1ccc2nc(n(Cc3nncn3C)c2c1)[*:1]
Cc1ccc2nc(CCCl)n(Cc3nncn3C)c2c1 Cn1cnnc1[*:1] Cc1ccc2nc(CCCl)n(C[*:1])c2c1
CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ccc(Cl)s1 CC(C)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)N[*:1])c1ccc(Cl)s1
CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H](C)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1nc(N2CCCC2)ncc1Cl C1CCN(C1)[*:1] CNC(=O)[C@H](C)CN(C)C(=O)c1nc(ncc1Cl)[*:1]
CNC(=O)[C@H](C)CN(C)C(=O)c1nc(N2CCCC2)ncc1Cl CNC(=O)[C@H](C)[*:1] CN(C[*:1])C(=O)c1nc(ncc1Cl)N1CCCC1
CNC(=O)[C@H](C)CN(C)C(=O)c1nc(N2CCCC2)ncc1Cl CNC(=O)[*:1] C[C@H](CN(C)C(=O)c1nc(ncc1Cl)N1CCCC1)[*:1]
CC(C)CC[C@@H](C)[C@@](C)(O)C(=O)[O-] O=C([O-])[*:1] CC(C)CC[C@@H](C)[C@@](C)(O)[*:1]
CC(C)CC[C@@H](C)[C@@](C)(O)C(=O)[O-] CC(C)[*:1] C[C@H](CC[*:1])[C@@](C)(O)C(=O)[O-]
CC(C)CC[C@@H](C)[C@@](C)(O)C(=O)[O-] CC(C)C[*:1] C[C@H](C[*:1])[C@@](C)(O)C(=O)[O-]
O=C(NC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Br O=[N+]([O-])[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(ccc1Br)[*:1]
COc1cc(CN2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc(OC)c1OC c1ccc(cc1)C[*:1] COc1cc(cc(OC)c1OC)CN1COc2ccc3c(C)c(c(=O)oc3c2C1)[*:1]
COc1cc(CN2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc(OC)c1OC COc1cc(cc(OC)c1OC)[*:1] Cc1c(Cc2ccccc2)c(=O)oc2c3CN(COc3ccc12)C[*:1]
COc1cc(CN2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc(OC)c1OC c1ccc(cc1)[*:1] COc1cc(cc(OC)c1OC)CN1COc2ccc3c(C)c(C[*:1])c(=O)oc3c2C1
CC(C)c1noc(OCCCc2cnn(C)c2)n1 Cn1cc(cn1)[*:1] CC(C)c1noc(n1)OCCC[*:1]
CC(C)c1noc(OCCCc2cnn(C)c2)n1 CC(C)[*:1] Cn1cc(cn1)CCCOc1nc(no1)[*:1]
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(F)c(Br)c2)CC1 C=C(C)[*:1] O=C(NC1CC[NH+](CC1)C[*:1])c1ccc(F)c(Br)c1
CS[C@H](C)c1cccc(NC(=O)[C@H]2CSC(=O)N2)c1 CS[C@H](C)[*:1] O=C1N[C@H](CS1)C(=O)Nc1cccc(c1)[*:1]
CS[C@H](C)c1cccc(NC(=O)[C@H]2CSC(=O)N2)c1 O=C1N[C@H](CS1)[*:1] CS[C@H](C)c1cccc(c1)NC(=O)[*:1]
CC(C)CCCNC(=O)N[C@H]1CCCc2ccccc21 CC(C)CCC[*:1] O=C(N[C@H]1CCCc2ccccc21)N[*:1]
CC(C)CCCNC(=O)N[C@H]1CCCc2ccccc21 CC(C)[*:1] O=C(NCCC[*:1])N[C@H]1CCCc2ccccc21
CC(C)CCCNC(=O)N[C@H]1CCCc2ccccc21 CC(C)C[*:1] O=C(NCC[*:1])N[C@H]1CCCc2ccccc21
CC(C)CCCNC(=O)N[C@H]1CCCc2ccccc21 CC(C)CC[*:1] O=C(NC[*:1])N[C@H]1CCCc2ccccc21
O=C(NCCSc1ccc(Br)cc1)C1CCN(C(=O)c2ccco2)CC1 Brc1ccc(cc1)S[*:1] O=C(NCC[*:1])C1CCN(CC1)C(=O)c1ccco1
O=C(NCCSc1ccc(Br)cc1)C1CCN(C(=O)c2ccco2)CC1 Brc1ccc(cc1)[*:1] O=C(NCCS[*:1])C1CCN(CC1)C(=O)c1ccco1
O=C(NCCSc1ccc(Br)cc1)C1CCN(C(=O)c2ccco2)CC1 c1coc(c1)[*:1] O=C(NCCSc1ccc(Br)cc1)C1CCN(CC1)C(=O)[*:1]
Cc1c(Cl)ccc2sc(NCCN3CCOCC3)nc12 C1CN(CCO1)[*:1] Cc1c(Cl)ccc2sc(nc12)NCC[*:1]
Cn1cccc1CN1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 Cn1cccc1[*:1] O[C@@H]1C[C@H](c2ccc(cc2)C(F)(F)F)N(C1)C[*:1]
Cn1cccc1CN1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] Cn1cccc1CN1C[C@H](O)C[C@@H]1c1ccc(cc1)[*:1]
Cn1cccc1CN1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 Cn1cccc1C[*:1] O[C@@H]1C[C@H](c2ccc(cc2)C(F)(F)F)N(C1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)CNc1ccccc1 c1ccc(cc1)NC[*:1] Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)CNc1ccccc1 c1ccc(cc1)N[*:1] Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)C[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)CNc1ccccc1 c1ccc(cc1)[*:1] Cc1onc(c1C(=O)NNC(=O)CNc1ccccc1)[*:1]
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)CNc1ccccc1 c1ccc(cc1)[*:1] Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)CN[*:1]
CO[C@@]1(C)C[C@@H](NC(=O)Cc2cccc(OCc3cccnc3)c2)C1(C)C c1cncc(c1)C[*:1] CO[C@@]1(C)C[C@@H](NC(=O)Cc2cccc(c2)O[*:1])C1(C)C
CO[C@@]1(C)C[C@@H](NC(=O)Cc2cccc(OCc3cccnc3)c2)C1(C)C c1cncc(c1)[*:1] CO[C@@]1(C)C[C@@H](NC(=O)Cc2cccc(c2)OC[*:1])C1(C)C
CO[C@@]1(C)C[C@@H](NC(=O)Cc2cccc(OCc3cccnc3)c2)C1(C)C c1cncc(c1)CO[*:1] CO[C@@]1(C)C[C@@H](NC(=O)Cc2cccc(c2)[*:1])C1(C)C
CCC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](C[NH3+])CC(C)C)C1 CC(C)[*:1] CCC[C@@]1(CCCN(C1)C(=O)[C@H](C[NH3+])C[*:1])C(=O)[O-]
CCC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](C[NH3+])CC(C)C)C1 CC(C)C[*:1] CCC[C@@]1(CCCN(C1)C(=O)[C@H](C[NH3+])[*:1])C(=O)[O-]
CCC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](C[NH3+])CC(C)C)C1 CCC[*:1] CC(C)C[C@@H](C[NH3+])C(=O)N1CCC[C@](C1)(C(=O)[O-])[*:1]
CCC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](C[NH3+])CC(C)C)C1 O=C([O-])[*:1] CCC[C@@]1(CCCN(C1)C(=O)[C@H](C[NH3+])CC(C)C)[*:1]
CCc1c(C(=O)[O-])nnn1-c1ccc(Br)c(C)c1 O=C([O-])[*:1] CCc1c(nnn1-c1ccc(Br)c(C)c1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NCc1ccc(Cn2ccnc2)cc1 c1cn(cn1)[*:1] Cc1cc(ccc1NCc1ccc(cc1)C[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NCc1ccc(Cn2ccnc2)cc1 c1cn(cn1)C[*:1] Cc1cc(ccc1NCc1ccc(cc1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NCc1ccc(Cn2ccnc2)cc1 O=[N+]([O-])[*:1] Cc1cc(ccc1NCc1ccc(cc1)Cn1ccnc1)[*:1]
O=C(CCSc1nncs1)Nc1ccc(Br)cc1F c1nnc(S[*:1])s1 O=C(CC[*:1])Nc1ccc(Br)cc1F
O=C(CCSc1nncs1)Nc1ccc(Br)cc1F c1nnc(s1)[*:1] O=C(CCS[*:1])Nc1ccc(Br)cc1F
Cc1ccc2nc([C@@H](C)Cl)n(Cc3cc(C)no3)c2c1 C[C@@H](Cl)[*:1] Cc1ccc2nc(n(Cc3cc(C)no3)c2c1)[*:1]
Cc1ccc2nc([C@@H](C)Cl)n(Cc3cc(C)no3)c2c1 Cc1cc(on1)[*:1] Cc1ccc2nc([C@@H](C)Cl)n(C[*:1])c2c1
CNC(=O)c1ccc(NC(=O)NCc2cc(F)cc(OC)c2)c(Cl)c1 CNC(=O)[*:1] COc1cc(F)cc(c1)CNC(=O)Nc1ccc(cc1Cl)[*:1]
Cc1cccc(NC(=O)CNS(=O)(=O)c2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(CNS(=O)(=O)c1ccccc1)N[*:1]
Cc1cccc(NC(=O)CNS(=O)(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)CNS(=O)(=O)[*:1]
CCCC1([NH3+])CN(C(=O)C[C@@H]2CCCCO2)C1 CCC[*:1] [NH3+]C1(CN(C1)C(=O)C[C@@H]1CCCCO1)[*:1]
COc1cc(C[NH2+]C2CCCC2)cc2c1OCCO2 C1CCC(C1)[*:1] COc1cc(cc2OCCOc12)C[NH2+][*:1]
CN(Cc1nccn1C(F)F)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] CN(Cc1nccn1C(F)F)C(=O)Nc1cnn(c1)[*:1]
CN(Cc1nccn1C(F)F)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 FC(F)[*:1] CN(Cc1nccn1[*:1])C(=O)Nc1cnn(c1)C[C@H]1CCCO1
CN(Cc1nccn1C(F)F)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 FC(F)n1ccnc1[*:1] CN(C[*:1])C(=O)Nc1cnn(c1)C[C@H]1CCCO1
CN(Cc1nccn1C(F)F)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] CN(Cc1nccn1C(F)F)C(=O)Nc1cnn(c1)C[*:1]
O=C(Nc1cccc(Nc2ccccc2)c1)c1cnc([C@@H]2CCCO2)s1 c1ccc(cc1)[*:1] O=C(Nc1cccc(c1)N[*:1])c1cnc(s1)[C@@H]1CCCO1
O=C(Nc1cccc(Nc2ccccc2)c1)c1cnc([C@@H]2CCCO2)s1 c1ccc(cc1)N[*:1] O=C(Nc1cccc(c1)[*:1])c1cnc(s1)[C@@H]1CCCO1
CN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CCCCO1 C1CC[C@H](OC1)[*:1] CN(Cc1cccc(C#N)c1)C(=O)C[*:1]
CCCCCN(C(=O)N1CCC(CC(=O)[O-])CC1)C(C)C O=C([O-])[*:1] CCCCCN(C(=O)N1CCC(CC1)C[*:1])C(C)C
CCCCCN(C(=O)N1CCC(CC(=O)[O-])CC1)C(C)C CCCC[*:1] CC(C)N(C[*:1])C(=O)N1CCC(CC1)CC(=O)[O-]
CCCCCN(C(=O)N1CCC(CC(=O)[O-])CC1)C(C)C CCC[*:1] CC(C)N(CC[*:1])C(=O)N1CCC(CC1)CC(=O)[O-]
CCCCCN(C(=O)N1CCC(CC(=O)[O-])CC1)C(C)C O=C([O-])C[*:1] CCCCCN(C(=O)N1CCC(CC1)[*:1])C(C)C
CCCCCN(C(=O)N1CCC(CC(=O)[O-])CC1)C(C)C CCCCC[*:1] CC(C)N(C(=O)N1CCC(CC1)CC(=O)[O-])[*:1]
CCCCCN(C(=O)N1CCC(CC(=O)[O-])CC1)C(C)C CC(C)[*:1] CCCCCN(C(=O)N1CCC(CC1)CC(=O)[O-])[*:1]
CCNC(=O)N(C1CC1)[C@@H](C)c1ccco1 c1coc(c1)[*:1] CCNC(=O)N(C1CC1)[C@@H](C)[*:1]
CCNC(=O)N(C1CC1)[C@@H](C)c1ccco1 C1CC1[*:1] CCNC(=O)N([C@@H](C)c1ccco1)[*:1]
C[C@@H](Sc1ccccn1)C(=O)NCC[NH+]1CCCCCC1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)NCC[NH+]1CCCCCC1
C[C@@H](Sc1ccccn1)C(=O)NCC[NH+]1CCCCCC1 c1ccc(nc1)S[*:1] C[C@@H](C(=O)NCC[NH+]1CCCCCC1)[*:1]
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])CO[C@@H]2CCCC[C@H]2C)s1 Cc1nc(C)c(s1)[*:1] C[C@@H]1CCCC[C@H]1OC/C([O-])=N/S(=O)(=O)[*:1]
Cc1nc(C)c(S(=O)(=O)/N=C(\[O-])CO[C@@H]2CCCC[C@H]2C)s1 C[C@@H]1CCCC[C@H]1[*:1] Cc1nc(C)c(s1)S(=O)(=O)/N=C(\[O-])CO[*:1]
Cc1cc(C[NH+](CCc2ccc(F)cc2)Cc2cc(C)on2)no1 Cc1cc(no1)[*:1] Cc1cc(C[NH+](CCc2ccc(F)cc2)C[*:1])no1
Cc1cc(C[NH+](CCc2ccc(F)cc2)Cc2cc(C)on2)no1 Fc1ccc(cc1)[*:1] Cc1cc(C[NH+](CC[*:1])Cc2cc(C)on2)no1
Cc1cc(C[NH+](CCc2ccc(F)cc2)Cc2cc(C)on2)no1 Cc1cc(C[*:1])no1 Cc1cc(C[NH+](CCc2ccc(F)cc2)[*:1])no1
Cc1cc(C[NH+](CCc2ccc(F)cc2)Cc2cc(C)on2)no1 Fc1ccc(cc1)C[*:1] Cc1cc(C[NH+](Cc2cc(C)on2)C[*:1])no1
CCc1cnc(CSc2nnnn2C2CCCC2)o1 C1CCC(C1)[*:1] CCc1cnc(CSc2nnnn2[*:1])o1
Cc1nn(C)c(C)c1/C=C(\C(=O)c1ccc(Cl)cc1Cl)n1cncn1 Clc1ccc(c(Cl)c1)[*:1] Cc1nn(C)c(C)c1/C=C(\C(=O)[*:1])n1cncn1
Cc1nn(C)c(C)c1/C=C(\C(=O)c1ccc(Cl)cc1Cl)n1cncn1 c1ncn(n1)[*:1] Cc1nn(C)c(C)c1C=C(C(=O)c1ccc(Cl)cc1Cl)[*:1]
Cc1nn(C)c(C)c1/C=C(\C(=O)c1ccc(Cl)cc1Cl)n1cncn1 Cc1nn(C)c(C)c1[*:1] O=C(C(=C[*:1])n1cncn1)c1ccc(Cl)cc1Cl
O=c1[nH]c2cc(Cl)c(S(=O)(=O)NCCC3CCCCC3)cc2o1 C1CCC(CC1)C[*:1] O=c1[nH]c2cc(Cl)c(cc2o1)S(=O)(=O)NC[*:1]
O=c1[nH]c2cc(Cl)c(S(=O)(=O)NCCC3CCCCC3)cc2o1 C1CCC(CC1)[*:1] O=c1[nH]c2cc(Cl)c(cc2o1)S(=O)(=O)NCC[*:1]
CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)[*:1] CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N(CC[*:1])C1
CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)CC[*:1] CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 Clc1cccc(c1)[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1
CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 c1ccc(cc1)C[*:1] CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N(C1)C[*:1]
CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 Clc1cccc(c1)C[*:1] CN(C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)[*:1]
COC(=O)c1ccsc1NC(=O)C(=O)N1CCCC1 COC(=O)[*:1] O=C(Nc1sccc1[*:1])C(=O)N1CCCC1
C[C@H](CCN1CCOCC1)NC(=O)c1ccc2c(c1)COCO2 C1CN(CCO1)[*:1] C[C@H](CC[*:1])NC(=O)c1ccc2OCOCc2c1
C[C@H](CCN1CCOCC1)NC(=O)c1ccc2c(c1)COCO2 C1CN(CCO1)C[*:1] C[C@H](C[*:1])NC(=O)c1ccc2OCOCc2c1
CCS(=O)(=O)[N-]c1ccc(C(=O)/C=C/c2ccc(C)c(F)c2)cc1 Cc1ccc(cc1F)[*:1] CCS(=O)(=O)[N-]c1ccc(cc1)C(=O)C=C[*:1]
CN1CCN(C(=O)c2cn(CCNC(=O)c3ccc(C(C)(C)C)cc3)nn2)CC1 CN1CCN(CC1)C(=O)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NCCn1cc(nn1)[*:1]
CN1CCN(C(=O)c2cn(CCNC(=O)c3ccc(C(C)(C)C)cc3)nn2)CC1 CC(C)(C)[*:1] CN1CCN(CC1)C(=O)c1cn(CCNC(=O)c2ccc(cc2)[*:1])nn1
Cc1ccc(NC(=O)N2CCC[C@H](OCc3ccccc3)C2)cc1 c1ccc(cc1)CO[*:1] Cc1ccc(cc1)NC(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc(NC(=O)N2CCC[C@H](OCc3ccccc3)C2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])N1CCC[C@@H](C1)OCc1ccccc1
Cc1ccc(NC(=O)N2CCC[C@H](OCc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)OC[*:1]
Cc1ccc(NC(=O)N2CCC[C@H](OCc3ccccc3)C2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)NC(=O)N1CCC[C@@H](C1)O[*:1]
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2ccc[nH]2)o1 Cc1ccc(o1)[*:1] C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)[C@@H](C1)[*:1]
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2ccc[nH]2)o1 c1c[nH]c(c1)C[*:1] Cc1ccc(o1)[C@@H]1C[C@H](C)CCN1C(=O)[*:1]
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2ccc[nH]2)o1 c1c[nH]c(c1)[*:1] Cc1ccc(o1)[C@@H]1C[C@H](C)CCN1C(=O)C[*:1]
C[C@@](O)(CNC(=O)c1ccccc1C(=O)c1cccs1)c1ccco1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)c1ccccc1C(=O)[*:1])c1ccco1
C[C@@](O)(CNC(=O)c1ccccc1C(=O)c1cccs1)c1ccco1 O=C(c1cccs1)[*:1] C[C@@](O)(CNC(=O)c1ccccc1[*:1])c1ccco1
C[C@@](O)(CNC(=O)c1ccccc1C(=O)c1cccs1)c1ccco1 c1coc(c1)[*:1] C[C@@](O)(CNC(=O)c1ccccc1C(=O)c1cccs1)[*:1]
CCc1nn(-c2ccccc2)c(NC(=O)[C@H](CC)n2cccn2)c1C c1ccc(cc1)[*:1] CCc1nn(c(NC(=O)[C@H](CC)n2cccn2)c1C)[*:1]
CCc1nn(-c2ccccc2)c(NC(=O)[C@H](CC)n2cccn2)c1C c1cnn(c1)[*:1] CCc1nn(-c2ccccc2)c(NC(=O)[C@H](CC)[*:1])c1C
O=C(/C=C/c1cccnc1)NCC(=O)OCc1ccccc1 c1cncc(c1)[*:1] O=C(C=C[*:1])NCC(=O)OCc1ccccc1
O=C(/C=C/c1cccnc1)NCC(=O)OCc1ccccc1 c1ccc(cc1)C[*:1] O=C(/C=C/c1cccnc1)NCC(=O)O[*:1]
O=C(/C=C/c1cccnc1)NCC(=O)OCc1ccccc1 c1ccc(cc1)[*:1] O=C(/C=C/c1cccnc1)NCC(=O)OC[*:1]
CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@H]1CC(Cc2cccc(F)c2)=NO1 Fc1cccc(c1)C[*:1] CN(Cc1cnn(c1)-c1ccc(F)cc1)C(=O)[C@H]1CC(=NO1)[*:1]
CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@H]1CC(Cc2cccc(F)c2)=NO1 Fc1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])C(=O)[C@H]1CC(Cc2cccc(F)c2)=NO1
CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@H]1CC(Cc2cccc(F)c2)=NO1 Fc1cccc(c1)[*:1] CN(Cc1cnn(c1)-c1ccc(F)cc1)C(=O)[C@H]1CC(C[*:1])=NO1
CCc1nc(CC(=O)N2CCc3c(sc(N)c3C#N)C2)cs1 CCc1nc(cs1)[*:1] N#Cc1c(N)sc2CN(CCc21)C(=O)C[*:1]
Cc1oc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1oc(cc1[*:1])C(=O)N(C)Cc1ccccc1
Cc1oc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N(C)C c1ccc(cc1)C[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)N(C)[*:1]
Cc1oc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N(C)C c1ccc(cc1)[*:1] Cc1oc(cc1S(=O)(=O)N(C)C)C(=O)N(C)C[*:1]
Cc1cc(C(=O)NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NCC(C)(C)[NH+](C)C
COc1ccccc1[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 O=S(=O)(C(F)F)[*:1] COc1ccccc1[C@H]1CCN(C1)c1ccc(cc1)[*:1]
COc1ccccc1[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 COc1ccccc1[*:1] O=S(=O)(c1ccc(cc1)N1CC[C@@H](C1)[*:1])C(F)F
COc1ccccc1[C@H]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1 FC(F)[*:1] COc1ccccc1[C@H]1CCN(C1)c1ccc(cc1)S(=O)(=O)[*:1]
O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1-c1nc(-c2ccccc2F)no1 O=[N+]([O-])c1ccccc1[*:1] O=C(N[*:1])c1ccccc1-c1nc(no1)-c1ccccc1F
O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1-c1nc(-c2ccccc2F)no1 Fc1ccccc1[*:1] O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1-c1nc(no1)[*:1]
O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1-c1nc(-c2ccccc2F)no1 O=[N+]([O-])[*:1] O=C(Nc1ccccc1[*:1])c1ccccc1-c1nc(no1)-c1ccccc1F
O=C(NCC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2)[*:1]
Cc1c(NC(=O)COC(=O)Cc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)COC(=O)Cc2ccc(F)cc2)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)COC(=O)Cc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C Fc1ccc(cc1)C[*:1] Cc1c(NC(=O)COC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)COC(=O)Cc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C Fc1ccc(cc1)[*:1] Cc1c(NC(=O)COC(=O)C[*:1])c(=O)n(-c2ccccc2)n1C
O=C1C[C@H](C(=O)N2CCC(c3[nH+]ccn3CC3CC3)CC2)C2(CCCC2)O1 C1CC1C[*:1] O=C1C[C@H](C(=O)N2CCC(CC2)c2[nH+]ccn2[*:1])C2(CCCC2)O1
O=C1C[C@H](C(=O)N2CCC(c3[nH+]ccn3CC3CC3)CC2)C2(CCCC2)O1 C1CC1[*:1] O=C1C[C@H](C(=O)N2CCC(CC2)c2[nH+]ccn2C[*:1])C2(CCCC2)O1
C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 Clc1ccc(cc1Cl)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccncc2)n1[*:1]
C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 c1cc(ccn1)[*:1] C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(n1-c1ccc(Cl)c(Cl)c1)[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 C[C@@H](c1cccnc1)[*:1] CN(C(=O)NC1CCN(CC1)S(=O)(=O)C1CC1)[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] C[C@@H](c1cccnc1)N(C)C(=O)NC1CCN(CC1)S(=O)(=O)[*:1]
C[C@@H](c1cccnc1)N(C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 c1cncc(c1)[*:1] C[C@@H](N(C)C(=O)NC1CCN(CC1)S(=O)(=O)C1CC1)[*:1]
C[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] C[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)[*:1]
CN(CC(C)(C)O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 CC(C)(O)[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)NC(=O)c1ccccc1
CN(CC(C)(C)O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 c1ccc(cc1)[*:1] CN(CC(C)(C)O)C(=O)Nc1cccc(c1)NC(=O)[*:1]
CN(CC(C)(C)O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 CC(C)(O)C[*:1] CN(C(=O)Nc1cccc(c1)NC(=O)c1ccccc1)[*:1]
CCOc1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)cn1 CCO[*:1] COc1ccc(cc1)[C@H](NC(=O)c1ccc(nc1)[*:1])C1CCOCC1
CCOc1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)cn1 CCOc1ccc(cn1)[*:1] COc1ccc(cc1)[C@H](NC(=O)[*:1])C1CCOCC1
CCOc1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)cn1 C1CC(CCO1)[*:1] CCOc1ccc(cn1)C(=O)N[C@@H](c1ccc(cc1)OC)[*:1]
CCOc1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)C2CCOCC2)cn1 COc1ccc(cc1)[*:1] CCOc1ccc(cn1)C(=O)N[C@@H](C1CCOCC1)[*:1]
COc1ccc(F)c(NC(=O)C(=O)N(C)CCCc2ccccc2)c1 c1ccc(cc1)C[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)N(C)CC[*:1]
COc1ccc(F)c(NC(=O)C(=O)N(C)CCCc2ccccc2)c1 c1ccc(cc1)CC[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)N(C)C[*:1]
COc1ccc(F)c(NC(=O)C(=O)N(C)CCCc2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(F)c(c1)NC(=O)C(=O)N(C)CCC[*:1]
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 Fc1ccccc1[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 c1coc(c1)[*:1] O=C(C1=C([O-])C(=O)N(C[*:1])[C@H]1c1ccccc1F)c1cccc(c1)[N+](=O)[O-]
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1cccc(c1)[*:1]
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 c1coc(c1)C[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccccc1F)[*:1])c1cccc(c1)[N+](=O)[O-]
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2F)N1Cc1ccco1
Cn1c(=O)c2c3nc4cc(Cl)c(Cl)cc4cc3c(=O)n(-c3ccccc3)c2n(C)c1=O c1ccc(cc1)[*:1] Cn1c(=O)c2c3nc4cc(Cl)c(Cl)cc4cc3c(=O)n(c2n(C)c1=O)[*:1]
COc1ccc(/C=C/C(=O)Nc2cccc(I)c2)cc1OC Ic1cccc(c1)[*:1] COc1ccc(/C=C/C(=O)N[*:1])cc1OC
O=c1c2ncsc2nnn1CCc1ccccc1 c1ccc(cc1)[*:1] O=c1c2ncsc2nnn1CC[*:1]
CCn1cnnc1C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 COc1ccc(cc1)[*:1] CCn1cnnc1C1CCN(CC1)C(=O)CC[*:1]
CCn1cnnc1C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 CCn1cnnc1[*:1] COc1ccc(cc1)CCC(=O)N1CCC(CC1)[*:1]
CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2cccc(C(=O)[O-])c2)o1 O=C([O-])[*:1] CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(o1)-c1cccc(c1)[*:1]
CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2cccc(C(=O)[O-])c2)o1 O=C([O-])c1cccc(c1)[*:1] CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(o1)[*:1]
CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2cccc(C(=O)[O-])c2)o1 CC(C)[*:1] O=C([O-])c1cccc(c1)-c1ccc(o1)[C@@H]1CC(O)=Nc2c1cnn2[*:1]
COCCN(CC(=O)N(C)C)c1ccc2nnc(C)n2n1 CN(C)C(=O)C[*:1] COCCN(c1ccc2nnc(C)n2n1)[*:1]
COCCN(CC(=O)N(C)C)c1ccc2nnc(C)n2n1 CN(C)C(=O)[*:1] COCCN(C[*:1])c1ccc2nnc(C)n2n1
COCCN(CC(=O)N(C)C)c1ccc2nnc(C)n2n1 COCC[*:1] Cc1nnc2ccc(nn12)N(CC(=O)N(C)C)[*:1]
COCCN(CC(=O)N(C)C)c1ccc2nnc(C)n2n1 COC[*:1] Cc1nnc2ccc(nn12)N(CC(=O)N(C)C)C[*:1]
CCN(C(=O)NC[C@H]1COc2ccccc2O1)[C@@H](C)c1cccc(OC)c1 COc1cccc(c1)[*:1] CCN(C(=O)NC[C@H]1COc2ccccc2O1)[C@@H](C)[*:1]
COC(=O)c1cccc(OCc2noc(Cc3ccc(F)c(F)c3)n2)c1 COC(=O)[*:1] Fc1ccc(cc1F)Cc1nc(COc2cccc(c2)[*:1])no1
COC(=O)c1cccc(OCc2noc(Cc3ccc(F)c(F)c3)n2)c1 Fc1ccc(cc1F)[*:1] COC(=O)c1cccc(c1)OCc1noc(C[*:1])n1
CC(=O)N[C@H]1CCCN(C(=O)Nc2cccc3cnccc23)C1 CC(=O)N[*:1] O=C(Nc1cccc2cnccc12)N1CCC[C@@H](C1)[*:1]
Cc1cc(Cl)ccc1NC(=O)CNc1ccccc1C(=O)N1CCCCC1 O=C(N1CCCCC1)[*:1] Cc1cc(Cl)ccc1NC(=O)CNc1ccccc1[*:1]
Cc1cc(Cl)ccc1NC(=O)CNc1ccccc1C(=O)N1CCCCC1 Cc1cc(Cl)ccc1[*:1] O=C(CNc1ccccc1C(=O)N1CCCCC1)N[*:1]
COc1ccc2ccccc2c1CNc1ccc(C(=O)[O-])c(Cl)c1 O=C([O-])[*:1] COc1ccc2ccccc2c1CNc1ccc(c(Cl)c1)[*:1]
CC1=Nc2ncnn2[C@H](c2ccccc2)[C@@H]1C(N)=O NC(=O)[*:1] CC1=Nc2ncnn2[C@H](c2ccccc2)[C@H]1[*:1]
CC1=Nc2ncnn2[C@H](c2ccccc2)[C@@H]1C(N)=O c1ccc(cc1)[*:1] CC1=Nc2ncnn2[C@H]([C@@H]1C(N)=O)[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCC[C@@H]1[*:1]
COc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1F COc1ccc(cc1F)[*:1] Cc1cccc(c1)-c1nc(cs1)CCNS(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1F Cc1cccc(c1)[*:1] COc1ccc(cc1F)S(=O)(=O)NCCc1csc(n1)[*:1]
C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1)[*:1]
C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1)c1cccs1 C[C@H](c1cccs1)[*:1] C[NH+](C)CCN(Cc1ccccc1)C(=O)[*:1]
C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1)c1cccs1 c1ccc(cc1)C[*:1] C[C@H](C(=O)N(CC[NH+](C)C)[*:1])c1cccs1
C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1)c1cccs1 c1ccc(cc1)[*:1] C[C@H](C(=O)N(CC[NH+](C)C)C[*:1])c1cccs1
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)[*:1] C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1C(=O)N[*:1]
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1C(=O)NC(C)(C)C Clc1ccc(c(Br)c1)[*:1] C[C@H](O[*:1])C(=O)Nc1ccccc1C(=O)NC(C)(C)C
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1C(=O)NC(C)(C)C Clc1ccc(O[*:1])c(Br)c1 C[C@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)[*:1]
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1[*:1]
CCc1ccccc1NC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 Fc1cc(F)cc(c1)[*:1] CCc1ccccc1NC(=O)N(C)CC(=O)N[*:1]
CCc1ccccc1NC(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 CCc1ccccc1[*:1] CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)N[*:1]
Cc1cc(Cl)ccc1NC(=O)N[C@@H](C)CO C[C@@H](CO)[*:1] Cc1cc(Cl)ccc1NC(=O)N[*:1]
COc1ccc2c(c1)c(CC(=O)NNC(=O)c1ccccc1F)c(C)n2C(=O)c1ccc(Cl)cc1 Fc1ccccc1[*:1] COc1ccc2c(c1)c(CC(=O)NNC(=O)[*:1])c(C)n2C(=O)c1ccc(Cl)cc1
COc1ccc2c(c1)c(CC(=O)NNC(=O)c1ccccc1F)c(C)n2C(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1ccc2c(c1)c(CC(=O)NNC(=O)c1ccccc1F)c(C)n2C(=O)[*:1]
Cc1cnc([C@@H](NC(=O)Cc2ccon2)C2CC2)s1 C1CC1[*:1] Cc1cnc(s1)[C@@H](NC(=O)Cc1ccon1)[*:1]
Cc1cnc([C@@H](NC(=O)Cc2ccon2)C2CC2)s1 c1cc(C[*:1])no1 Cc1cnc(s1)[C@@H](NC(=O)[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)Cc2ccon2)C2CC2)s1 c1cc(no1)[*:1] Cc1cnc(s1)[C@@H](NC(=O)C[*:1])C1CC1
Cc1cnc([C@@H](NC(=O)Cc2ccon2)C2CC2)s1 Cc1cnc(s1)[*:1] O=C(Cc1ccon1)N[C@@H](C1CC1)[*:1]
CC1(C)CN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)C1(C)C c1ccc(cc1)O[*:1] CC1(C)CN(C(=O)C2CCN(CC2)C(=O)CC[*:1])C1(C)C
CC1(C)CN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)C1(C)C c1ccc(cc1)[*:1] CC1(C)CN(C(=O)C2CCN(CC2)C(=O)CCO[*:1])C1(C)C
CC1(C)CN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)C1(C)C c1ccc(cc1)OCC[*:1] CC1(C)CN(C(=O)C2CCN(CC2)C(=O)[*:1])C1(C)C
CC1(C)CN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)C1(C)C c1ccc(cc1)OC[*:1] CC1(C)CN(C(=O)C2CCN(CC2)C(=O)C[*:1])C1(C)C
COC(=O)[C@@H](C)S[C@H](C)c1nnnn1-c1ccccc1 COC(=O)[*:1] C[C@@H](S[C@H](C)[*:1])c1nnnn1-c1ccccc1
COC(=O)[C@@H](C)S[C@H](C)c1nnnn1-c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@@H](C)S[C@H](C)c1nnnn1[*:1]
COC(=O)[C@@H](C)S[C@H](C)c1nnnn1-c1ccccc1 COC(=O)[C@@H](C)[*:1] C[C@@H](S[*:1])c1nnnn1-c1ccccc1
Cc1cc(C)c2c(OCC(=O)O[C@@H](C)[C@@H]3CCCO3)nn(C)c2n1 C1CO[C@@H](C1)[*:1] Cc1cc(C)c2c(nn(C)c2n1)OCC(=O)O[C@@H](C)[*:1]
CCC[NH2+][C@]1(CO)CCC[C@H](Sc2ccc(OC)cc2)C1 CCC[*:1] COc1ccc(cc1)S[C@H]1CCC[C@](CO)(C1)[NH2+][*:1]
O=C(NCC1CCN(c2cnccn2)CC1)C(=O)Nc1ccc(F)cc1F c1cnc(cn1)[*:1] O=C(NCC1CCN(CC1)[*:1])C(=O)Nc1ccc(F)cc1F
O=C(NCC1CCN(c2cnccn2)CC1)C(=O)Nc1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] O=C(NCC1CCN(CC1)c1cnccn1)C(=O)N[*:1]
O=C1CCCN1CCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccnc2)n1 O=C1CCCN1CCN[*:1] c1cncc(c1)-c1nc(ncc1-c1ccc2OCOc2c1)[*:1]
O=C1CCCN1CCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccnc2)n1 c1cc2OCOc2cc1[*:1] O=C1CCCN1CCNc1ncc(c(n1)-c1cccnc1)[*:1]
O=C1CCCN1CCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccnc2)n1 O=C1CCCN1C[*:1] c1cncc(c1)-c1nc(ncc1-c1ccc2OCOc2c1)NC[*:1]
O=C1CCCN1CCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccnc2)n1 O=C1CCCN1[*:1] c1cncc(c1)-c1nc(ncc1-c1ccc2OCOc2c1)NCC[*:1]
O=C1CCCN1CCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccnc2)n1 c1cncc(c1)[*:1] O=C1CCCN1CCNc1ncc(-c2ccc3OCOc3c2)c(n1)[*:1]
O=C1CCCN1CCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccnc2)n1 O=C1CCCN1CC[*:1] c1cncc(c1)-c1nc(ncc1-c1ccc2OCOc2c1)N[*:1]
CC1=C(NC(=O)C(=O)NCCC2=c3ccccc3=[NH+]C2)[C@@H](C)N(Cc2ccccc2C)N1 Cc1ccccc1C[*:1] CC1NN([C@H](C)C=1NC(=O)C(=O)NCCC1C[NH+]=c2ccccc2=1)[*:1]
CC1=C(NC(=O)C(=O)NCCC2=c3ccccc3=[NH+]C2)[C@@H](C)N(Cc2ccccc2C)N1 Cc1ccccc1[*:1] CC1NN(C[*:1])[C@H](C)C=1NC(=O)C(=O)NCCC1C[NH+]=c2ccccc2=1
N#Cc1cc2c(nc1NCCCS(=O)(=O)Cc1ccccc1)CCCC2 c1ccc(cc1)[*:1] N#Cc1cc2CCCCc2nc1NCCCS(=O)(=O)C[*:1]
N#Cc1cc2c(nc1NCCCS(=O)(=O)Cc1ccccc1)CCCC2 c1ccc(cc1)C[*:1] N#Cc1cc2CCCCc2nc1NCCCS(=O)(=O)[*:1]
O=C1NCCN(C2CCSCC2)[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C1NCCN(C2CCSCC2)[C@H]1[*:1]
O=C1NCCN(C2CCSCC2)[C@@H]1c1ccccc1 C1CC(CCS1)[*:1] O=C1NCCN([C@@H]1c1ccccc1)[*:1]
COc1ccc(/C=C/C(=O)Nc2nc(-c3cccs3)ns2)cc1OC c1csc(c1)[*:1] COc1ccc(/C=C/C(=O)Nc2nc(ns2)[*:1])cc1OC
O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Nc1ccc(cc1)N1CCCS1(=O)=O)N[*:1]
O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)Nc1cccc(F)c1 O=S1(=O)CCCN1[*:1] O=C(Nc1ccc(cc1)[*:1])Nc1cccc(F)c1
CC[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)c1ccncc1 c1cc(ccn1)[*:1] CC[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)[*:1]
C=CCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(CC)c2[O-])cc1 C=CC[*:1] CCn1c([O-])c(C(=O)c2ccc(cc2)O[*:1])c(C)c(C#N)c1=O
C=CCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(CC)c2[O-])cc1 C=CCO[*:1] CCn1c([O-])c(C(=O)c2ccc(cc2)[*:1])c(C)c(C#N)c1=O
C/C(=C/C(=O)Nc1cnn(CC[NH+](C)C)c1)C(C)(C)C CC(C)(C)[*:1] CC(=CC(=O)Nc1cnn(c1)CC[NH+](C)C)[*:1]
O=c1cc(CO)oc([C@@H](Nc2ccccc2Cl)c2ccccn2)c1O c1ccc(nc1)[*:1] O=c1cc(CO)oc(c1O)[C@@H](Nc1ccccc1Cl)[*:1]
O=c1cc(CO)oc([C@@H](Nc2ccccc2Cl)c2ccccn2)c1O Clc1ccccc1N[*:1] O=c1cc(CO)oc(c1O)[C@@H](c1ccccn1)[*:1]
O=c1cc(CO)oc([C@@H](Nc2ccccc2Cl)c2ccccn2)c1O Clc1ccccc1[*:1] O=c1cc(CO)oc(c1O)[C@@H](N[*:1])c1ccccn1
COc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)oc3ccccc23)c1 COc1cccc(c1)[*:1] O=C(c1oc2ccccc2c1NC(=O)[*:1])N1CCN(CC1)c1ccc(F)cc1
COc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)oc3ccccc23)c1 COc1cccc(c1)C(=O)N[*:1] O=C(c1oc2ccccc2c1[*:1])N1CCN(CC1)c1ccc(F)cc1
COc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)oc3ccccc23)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)C(=O)Nc1c(oc2ccccc12)C(=O)N1CCN(CC1)[*:1]
C=C(C)Cn1c(=O)nc(N)c2c(-c3ccc(OC)cc3)csc21 C=C(C)[*:1] COc1ccc(cc1)-c1csc2c1c(N)nc(=O)n2C[*:1]
C=C(C)Cn1c(=O)nc(N)c2c(-c3ccc(OC)cc3)csc21 C=C(C)C[*:1] COc1ccc(cc1)-c1csc2c1c(N)nc(=O)n2[*:1]
CCc1ncc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)cn1 COC[*:1] CCc1ncc(cn1)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)[*:1]
CCc1ncc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)cn1 CCc1ncc(cn1)[*:1] COCC(=O)N1CCc2[nH]cnc2C12CCN(CC2)C(=O)[*:1]
CC[C@@H](C)[C@@H](NC(=O)CCn1ccc2ccc(Br)cc21)C(=O)[O-] O=C([O-])[*:1] CC[C@@H](C)[C@@H](NC(=O)CCn1ccc2ccc(Br)cc21)[*:1]
CC[C@@H](C)[C@@H](NC(=O)CCn1ccc2ccc(Br)cc21)C(=O)[O-] CC[C@@H](C)[*:1] O=C(CCn1ccc2ccc(Br)cc21)N[C@@H](C(=O)[O-])[*:1]
COc1cccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c1 COc1cccc(c1)[*:1] Cc1cccc2cc(C#N)c(nc12)SCC(=O)N[*:1]
N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)/N=c2\[nH]c3ccccc3n2-c2ccccc2)CC1 N#Cc1nc(oc1[*:1])-c1ccco1 O=C(/N=c1\[nH]c2ccccc2n1-c1ccccc1)C1CCN(CC1)[*:1]
N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)/N=c2\[nH]c3ccccc3n2-c2ccccc2)CC1 c1coc(c1)[*:1] N#Cc1nc(oc1N1CCC(CC1)C(=O)/N=c1\[nH]c2ccccc2n1-c1ccccc1)[*:1]
N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)/N=c2\[nH]c3ccccc3n2-c2ccccc2)CC1 c1ccc(cc1)[*:1] N#Cc1nc(oc1N1CCC(CC1)C(=O)/N=c1\[nH]c2ccccc2n1[*:1])-c1ccco1
NC(=O)NCCCCCC(=O)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] NC(=O)NCCCCCC(=O)N1CCN(CC1)[*:1]
NC(=O)NCCCCCC(=O)N1CCN(c2ccccc2Cl)CC1 NC(=O)NCCC[*:1] O=C(CC[*:1])N1CCN(CC1)c1ccccc1Cl
NC(=O)NCCCCCC(=O)N1CCN(c2ccccc2Cl)CC1 NC(=O)NCC[*:1] O=C(CCC[*:1])N1CCN(CC1)c1ccccc1Cl
NC(=O)NCCCCCC(=O)N1CCN(c2ccccc2Cl)CC1 NC(=O)NCCCC[*:1] O=C(C[*:1])N1CCN(CC1)c1ccccc1Cl
NC(=O)NCCCCCC(=O)N1CCN(c2ccccc2Cl)CC1 NC(=O)NC[*:1] O=C(CCCC[*:1])N1CCN(CC1)c1ccccc1Cl
NC(=O)NCCCCCC(=O)N1CCN(c2ccccc2Cl)CC1 NC(=O)N[*:1] O=C(CCCCC[*:1])N1CCN(CC1)c1ccccc1Cl
COC(=O)Nc1cccc(C(=O)NCC(C)(C)c2cccs2)c1 COC(=O)N[*:1] CC(C)(CNC(=O)c1cccc(c1)[*:1])c1cccs1
COC(=O)Nc1cccc(C(=O)NCC(C)(C)c2cccs2)c1 c1csc(c1)[*:1] COC(=O)Nc1cccc(c1)C(=O)NCC(C)(C)[*:1]
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 Clc1ccccc1[*:1] CSCC[C@H](NC(=O)[*:1])C(=O)Nc1ccc(F)c(F)c1
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 CSC[*:1] O=C(N[C@@H](C[*:1])C(=O)Nc1ccc(F)c(F)c1)c1ccccc1Cl
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 CSCC[*:1] O=C(N[C@H](C(=O)Nc1ccc(F)c(F)c1)[*:1])c1ccccc1Cl
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[*:1]
CC(C)Oc1ccc([C@H](C)[NH2+]C2CCCCC2)cc1F CC(C)O[*:1] C[C@H]([NH2+]C1CCCCC1)c1ccc(c(F)c1)[*:1]
CC(C)Oc1ccc([C@H](C)[NH2+]C2CCCCC2)cc1F CC(C)[*:1] C[C@H]([NH2+]C1CCCCC1)c1ccc(O[*:1])c(F)c1
CC(C)Oc1ccc([C@H](C)[NH2+]C2CCCCC2)cc1F C1CCC(CC1)[*:1] CC(C)Oc1ccc(cc1F)[C@H](C)[NH2+][*:1]
COCCN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 COC[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N(C)C[*:1]
COCCN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 COCC[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N(C)[*:1]
COCCN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] COCCN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
C[C@H](Sc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)NC2=O c1ccc(cc1)[*:1] C[C@H](S[*:1])C(=O)N1CCC2(CC1)NC(=O)NC2=O
C[C@H](Sc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)NC2=O c1ccc(cc1)S[*:1] C[C@H](C(=O)N1CCC2(CC1)NC(=O)NC2=O)[*:1]
O=C(Nn1cnc2ccccc21)c1ccc(N2CCCCCC2)nc1 C1CCCN(CC1)[*:1] O=C(Nn1cnc2ccccc21)c1ccc(nc1)[*:1]
Cc1cc(C)cc(CCNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 Cc1cc(C)cc(c1)[*:1] O=C(NCC[*:1])Nc1ccc(cc1)C(=O)N1CCCC1
Cc1cc(C)cc(CCNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 Cc1cc(C)cc(c1)C[*:1] O=C(NC[*:1])Nc1ccc(cc1)C(=O)N1CCCC1
Cc1cc(C)cc(CCNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 O=C(N1CCCC1)[*:1] Cc1cc(C)cc(c1)CCNC(=O)Nc1ccc(cc1)[*:1]
COc1cccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1 COc1cccc(c1)[*:1] Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[*:1])c1C
COc1cccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1 Cc1cccc(c1C)[*:1] COc1cccc(c1)C(=O)NNC(=O)[C@H](C)O[*:1]
C[C@@H]1CCCCN1C(=O)CN1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 O=C(N1CCCCC1)[*:1] C[C@@H]1CCCCN1C(=O)CN1CCN(CC1)[C@@H](c1ccccc1)[*:1]
C[C@@H]1CCCCN1C(=O)CN1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 C[C@@H]1CCCCN1C(=O)C[*:1] O=C([C@@H](c1ccccc1)N1CCN(CC1)[*:1])N1CCCCC1
C[C@@H]1CCCCN1C(=O)CN1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H]1CCCCN1C(=O)CN1CCN(CC1)[C@@H](C(=O)N1CCCCC1)[*:1]
C[C@@H]1CCCCN1C(=O)CN1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 C[C@@H]1CCCCN1C(=O)[*:1] O=C([C@@H](c1ccccc1)N1CCN(CC1)C[*:1])N1CCCCC1
CC(=O)Nc1cccc2c1CCCN2[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl CC(=O)N[*:1] C[C@@H](NC(=O)[C@@H](C)N1CCCc2c1cccc2[*:1])c1ccc(Cl)cc1Cl
CC(=O)Nc1cccc2c1CCCN2[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] CC(=O)Nc1cccc2c1CCCN2[C@H](C)C(=O)N[C@H](C)[*:1]
CSC[C@@H](C)/C([O-])=N/S(=O)(=O)Cc1ccccc1C#N CSC[*:1] C[C@@H](/C([O-])=N/S(=O)(=O)Cc1ccccc1C#N)[*:1]
C/C=C(/C)C(=O)Nc1ccc(OC(F)F)cc1 FC(F)O[*:1] C/C=C(/C)C(=O)Nc1ccc(cc1)[*:1]
C/C=C(/C)C(=O)Nc1ccc(OC(F)F)cc1 FC(F)[*:1] C/C=C(/C)C(=O)Nc1ccc(cc1)O[*:1]
C/C=C(/C)C(=O)Nc1ccc(OC(F)F)cc1 CC=C(C)[*:1] O=C(Nc1ccc(cc1)OC(F)F)[*:1]
CCN(C(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 C1CC1[*:1] CCN(C(=O)NC1CC[NH+](CC1)[*:1])C1CCCC1
CCN(C(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 C1CCC(C1)[*:1] CCN(C(=O)NC1CC[NH+](CC1)C1CC1)[*:1]
CC/[NH+]=C(/NCC1([O-])CCC1)N[C@H](C)c1cc2ccccc2o1 [O-]C1(CCC1)[*:1] CC/[NH+]=C(/NC[*:1])N[C@H](C)c1cc2ccccc2o1
CC(=O)Oc1ccc2cc(-c3ccc4c(c3)OCO4)c(=O)oc2c1 CC(=O)O[*:1] O=c1oc2cc(ccc2cc1-c1ccc2OCOc2c1)[*:1]
CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 NC(=O)[*:1] CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc2[nH]nc(c2c1)[*:1]
COc1ccc(NC(=O)CS(=O)(=O)Cc2cn3ccccc3n2)cc1 COc1ccc(cc1)[*:1] O=C(CS(=O)(=O)Cc1cn2ccccc2n1)N[*:1]
CC(C)n1nc(-c2ccccc2)cc1NC(=O)[C@H]1CCS(=O)(=O)C1 CC(C)[*:1] O=C(Nc1cc(nn1[*:1])-c1ccccc1)[C@H]1CCS(=O)(=O)C1
CC(C)n1nc(-c2ccccc2)cc1NC(=O)[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] CC(C)n1nc(cc1NC(=O)[C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(C(=O)N2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)cn1 COc1ccc(cn1)[*:1] O=C(C1CN(C1)C(=O)[*:1])N1CCN(CC1)c1ccccc1
COc1ccc(C(=O)N2CC(C(=O)N3CCN(c4ccccc4)CC3)C2)cn1 c1ccc(cc1)[*:1] COc1ccc(cn1)C(=O)N1CC(C1)C(=O)N1CCN(CC1)[*:1]
CC[NH+]1CCC(N(C(=O)CSc2ccc(C#N)cc2)C2CC2)CC1 N#Cc1ccc(cc1)[*:1] CC[NH+]1CCC(CC1)N(C(=O)CS[*:1])C1CC1
CC[NH+]1CCC(N(C(=O)CSc2ccc(C#N)cc2)C2CC2)CC1 C1CC1[*:1] CC[NH+]1CCC(CC1)N(C(=O)CSc1ccc(C#N)cc1)[*:1]
CCc1cc(N2CCN(CC(=O)Nc3nncs3)CC2)nc(-c2ccncc2)n1 O=C(Nc1nncs1)[*:1] CCc1cc(nc(n1)-c1ccncc1)N1CCN(CC1)C[*:1]
CCc1cc(N2CCN(CC(=O)Nc3nncs3)CC2)nc(-c2ccncc2)n1 c1cc(ccn1)[*:1] CCc1cc(nc(n1)[*:1])N1CCN(CC1)CC(=O)Nc1nncs1
CCc1cc(N2CCN(CC(=O)Nc3nncs3)CC2)nc(-c2ccncc2)n1 c1nnc(s1)[*:1] CCc1cc(nc(n1)-c1ccncc1)N1CCN(CC1)CC(=O)N[*:1]
CCc1cc(N2CCN(CC(=O)Nc3nncs3)CC2)nc(-c2ccncc2)n1 O=C(C[*:1])Nc1nncs1 CCc1cc(nc(n1)-c1ccncc1)N1CCN(CC1)[*:1]
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] CSCC[C@H](NS(=O)(=O)c1ccc2OCCOc2c1)C(=O)N[*:1]
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 CSC[*:1] O=C(Nc1ccccc1)[C@H](C[*:1])NS(=O)(=O)c1ccc2OCCOc2c1
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] CSCC[C@H](NS(=O)(=O)c1ccc2OCCOc2c1)[*:1]
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 CSCC[*:1] O=C(Nc1ccccc1)[C@@H](NS(=O)(=O)c1ccc2OCCOc2c1)[*:1]
COC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1 COC(=O)[*:1] COC(=O)/C(C#N)=C\c1ccc(cc1)[*:1]
COC(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1 COC(=O)[*:1] COC(=O)c1ccc(C=C(C#N)[*:1])cc1
CC(C)[C@H](CNCc1c[nH]nc1-c1cccnc1)c1ccccc1 CC(C)[*:1] c1ccc(cc1)[C@@H](CNCc1c[nH]nc1-c1cccnc1)[*:1]
CC(C)[C@H](CNCc1c[nH]nc1-c1cccnc1)c1ccccc1 c1cncc(c1)[*:1] CC(C)[C@H](CNCc1c[nH]nc1[*:1])c1ccccc1
CC(C)[C@H](CNCc1c[nH]nc1-c1cccnc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@H](CNCc1c[nH]nc1-c1cccnc1)[*:1]
COc1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)cc1OC C1COC(O1)[*:1] COc1cc(Br)c(cc1OC)S(=O)(=O)N1CCCC[C@@H]1[*:1]
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O c1ccc(cc1)[*:1] C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(C)Cc1cnn(c1)C[*:1])C2=O
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(C)Cc1cnn(Cc3ccccc3)c1)C2=O c1ccc(cc1)C[*:1] C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN(C)Cc1cnn(c1)[*:1])C2=O
Cc1cccc(-c2noc(C)c2C(=O)NCCCc2ccccn2)c1 c1ccc(C[*:1])nc1 Cc1cccc(c1)-c1noc(C)c1C(=O)NCC[*:1]
Cc1cccc(-c2noc(C)c2C(=O)NCCCc2ccccn2)c1 c1ccc(CC[*:1])nc1 Cc1cccc(c1)-c1noc(C)c1C(=O)NC[*:1]
Cc1cccc(-c2noc(C)c2C(=O)NCCCc2ccccn2)c1 Cc1cccc(c1)[*:1] Cc1onc(c1C(=O)NCCCc1ccccn1)[*:1]
Cc1cccc(-c2noc(C)c2C(=O)NCCCc2ccccn2)c1 c1ccc(nc1)[*:1] Cc1cccc(c1)-c1noc(C)c1C(=O)NCCC[*:1]
O=C(NCc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1)c1cccs1 O=C(N[*:1])c1cccs1 O=C(c1ccc(cc1)C[*:1])N1CCC[C@H]1Cc1cccc(F)c1
O=C(NCc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1)c1cccs1 O=C(NC[*:1])c1cccs1 O=C(c1ccc(cc1)[*:1])N1CCC[C@H]1Cc1cccc(F)c1
O=C(NCc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1)c1cccs1 Fc1cccc(c1)C[*:1] O=C(NCc1ccc(cc1)C(=O)N1CCC[C@@H]1[*:1])c1cccs1
O=C(NCc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1)c1cccs1 Fc1cccc(c1)[*:1] O=C(NCc1ccc(cc1)C(=O)N1CCC[C@H]1C[*:1])c1cccs1
O=C(NCc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1)c1cccs1 c1csc(c1)[*:1] O=C(c1ccc(cc1)CNC(=O)[*:1])N1CCC[C@H]1Cc1cccc(F)c1
CCOc1cc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1
CCOc1cc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)ccc1OC Clc1cccc(c1)[*:1] CCOc1cc(ccc1OC)CNC(=O)[C@@H]1C[C@H]1[*:1]
CC(C)[C@@](C)(O)CNC(=O)/C=C/c1ccc2c(c1)CCO2 CC(C)[*:1] C[C@@](O)(CNC(=O)/C=C/c1ccc2OCCc2c1)[*:1]
CN1CCNC(=O)C12CC[NH+](Cc1cc(F)ccc1-n1cccn1)CC2 c1cnn(c1)[*:1] CN1CCNC(=O)C12CC[NH+](CC2)Cc1cc(F)ccc1[*:1]
Cc1ccc(CNC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c(C)c1 CS(=O)(=O)N[*:1] Cc1ccc(CNC(=O)N2CCC[C@H](C2)[*:1])c(C)c1
Cc1c(N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc(C#N)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cc(C#N)cc1[*:1])N[C@H](C)c1ccc2NC(=O)CCc2c1
CCS[C@@H]1N=C(CC(=O)NCC2=CC=C[C@@H]3N=CC=C23)CS1 CCS[*:1] O=C(CC1CS[C@@H](N=1)[*:1])NCC1=CC=C[C@@H]2N=CC=C12
CN(Cc1cnn(C)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] CN(Cc1cnn(C)c1)C(=O)C1CCN(CC1)c1ccccc1[*:1]
CN(Cc1cnn(C)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 Cn1cc(cn1)[*:1] CN(C[*:1])C(=O)C1CCN(CC1)c1ccccc1[N+](=O)[O-]
CN(Cc1cnn(C)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 Cn1cc(cn1)C[*:1] CN(C(=O)C1CCN(CC1)c1ccccc1[N+](=O)[O-])[*:1]
CC#CCC(=O)CSc1ccccc1Cl CC#CC[*:1] O=C(CSc1ccccc1Cl)[*:1]
CC#CCC(=O)CSc1ccccc1Cl CC#C[*:1] O=C(CSc1ccccc1Cl)C[*:1]
COc1cc(CCNC(=O)c2ccccc2OC(F)F)ccc1C FC(F)[*:1] COc1cc(ccc1C)CCNC(=O)c1ccccc1O[*:1]
COc1cc(CCNC(=O)c2ccccc2OC(F)F)ccc1C FC(F)O[*:1] COc1cc(ccc1C)CCNC(=O)c1ccccc1[*:1]
CC(C)CNC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 CC(C)C[*:1] O=C(c1ccc(O)cc1)C1CCN(CC1)C(=O)N[*:1]
CC(C)CNC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 Oc1ccc(cc1)[*:1] CC(C)CNC(=O)N1CCC(CC1)C(=O)[*:1]
CC(C)CNC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 CC(C)[*:1] O=C(c1ccc(O)cc1)C1CCN(CC1)C(=O)NC[*:1]
CCOc1ccc(N/N=C2/C(=O)Nn3c2nc(C)cc3=O)cc1 CCO[*:1] Cc1cc(=O)n2NC(=O)/C(=N/Nc3ccc(cc3)[*:1])c2n1
CCc1cc(NC[C@H](O)c2ccc(O)cc2)n2nc(C)c(C)c2n1 Oc1ccc(cc1)[*:1] CCc1cc(NC[C@H](O)[*:1])n2nc(C)c(C)c2n1
CS(=O)(=O)N1CCC(OC(=O)c2ccc(-n3cccn3)cc2)CC1 c1cnn(c1)[*:1] CS(=O)(=O)N1CCC(CC1)OC(=O)c1ccc(cc1)[*:1]
C[C@H]1CN(c2ccccc2NC(=O)N(C)CCOc2cccc(Cl)c2)C[C@H](C)O1 Clc1cccc(c1)OC[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1NC(=O)N(C)C[*:1]
C[C@H]1CN(c2ccccc2NC(=O)N(C)CCOc2cccc(Cl)c2)C[C@H](C)O1 Clc1cccc(c1)[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1NC(=O)N(C)CCO[*:1]
C[C@H]1CN(c2ccccc2NC(=O)N(C)CCOc2cccc(Cl)c2)C[C@H](C)O1 Clc1cccc(c1)O[*:1] C[C@H]1CN(C[C@H](C)O1)c1ccccc1NC(=O)N(C)CC[*:1]
Cc1ccc(C)c(NC(=S)N[C@H](NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)c1 ClC(Cl)(Cl)[*:1] Cc1ccc(C)c(c1)NC(=S)N[C@H](NC(=O)N1CCOCC1)[*:1]
Cc1ccc(C)c(NC(=S)N[C@H](NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[C@@H](NC(=S)N[*:1])C(Cl)(Cl)Cl)N1CCOCC1
Cc1ccccc1CN=C=S S=C=N[*:1] Cc1ccccc1C[*:1]
Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c1C c1cncc(c1)[*:1] Cc1sc(NC(=O)c2ccco2)c(c1C)[C@@H]([NH+]1CCN(CC1)c1ccccc1)[*:1]
Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c1C O=C(N[*:1])c1ccco1 Cc1sc(c(c1C)[C@@H](c1cccnc1)[NH+]1CCN(CC1)c1ccccc1)[*:1]
Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c1C c1coc(c1)[*:1] Cc1sc(NC(=O)[*:1])c(c1C)[C@@H](c1cccnc1)[NH+]1CCN(CC1)c1ccccc1
Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c1C c1ccc(cc1)[*:1] Cc1sc(NC(=O)c2ccco2)c(c1C)[C@@H](c1cccnc1)[NH+]1CCN(CC1)[*:1]
COc1ccccc1OCCNS(C)(=O)=O CS(=O)(=O)N[*:1] COc1ccccc1OCC[*:1]
O=S1(=O)N=C(N2CCC[NH+](C3CCOCC3)CC2)c2ccccc21 C1CC(CCO1)[*:1] O=S1(=O)N=C(c2ccccc21)N1CCC[NH+](CC1)[*:1]
O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(Br)cc1 c1coc(c1)[*:1] O=C(NC(=S)Nc1ccc(NC(=O)[*:1])c(Cl)c1)c1ccc(Br)cc1
O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(Br)cc1 O=C(N[*:1])c1ccco1 O=C(NC(=S)Nc1ccc(c(Cl)c1)[*:1])c1ccc(Br)cc1
O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(Nc1ccc(cc1Cl)NC(=S)NC(=O)[*:1])c1ccco1
CC(C)CCC[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O CC(C)CC[*:1] C[C@@H](C[*:1])NC(=O)c1ccc2C(=O)N(C)C(=O)c2c1
CC(C)CCC[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O CC(C)[*:1] C[C@@H](CCC[*:1])NC(=O)c1ccc2C(=O)N(C)C(=O)c2c1
CC(C)CCC[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O CC(C)CCC[*:1] C[C@H](NC(=O)c1ccc2C(=O)N(C)C(=O)c2c1)[*:1]
CC(C)CCC[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O CC(C)C[*:1] C[C@@H](CC[*:1])NC(=O)c1ccc2C(=O)N(C)C(=O)c2c1
CC(C)(C)c1ccc(/C=C\C(=O)Nc2ccc3c(c2)OCCO3)cc1 CC(C)(C)[*:1] O=C(/C=C\c1ccc(cc1)[*:1])Nc1ccc2OCCOc2c1
Cc1cc(C)cc(OCCN(C)C(=O)CSc2nncn2C)c1 Cn1cnnc1[*:1] Cc1cc(C)cc(c1)OCCN(C)C(=O)CS[*:1]
Cc1cc(C)cc(OCCN(C)C(=O)CSc2nncn2C)c1 Cn1cnnc1S[*:1] Cc1cc(C)cc(c1)OCCN(C)C(=O)C[*:1]
Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)C1CCOCC1 c1ccc(cc1)[*:1] Cc1nc(sc1[C@H](C)[NH2+]C[C@H](O)C1CCOCC1)[*:1]
Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)C1CCOCC1 C1CC(CCO1)[*:1] Cc1nc(sc1[C@H](C)[NH2+]C[C@H](O)[*:1])-c1ccccc1
O=C(NCCC1=c2ccccc2=[NH+]C1)C1=NN[C@@H]2N(CCN2c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(NCCC1C[NH+]=c2ccccc2=1)C1=NN[C@@H]2N(CCN2[*:1])C1=O
CSc1ccc(CC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)o2)cc1 c1ccc(cc1)[*:1] CSc1ccc(cc1)CC(=O)Nc1nnc(o1)[C@H]1CC(=O)N(C1)[*:1]
CSc1ccc(CC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)o2)cc1 CSc1ccc(cc1)[*:1] O=C(C[*:1])Nc1nnc(o1)[C@H]1CC(=O)N(C1)c1ccccc1
CSc1ccc(CC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)o2)cc1 CSc1ccc(cc1)C[*:1] O=C1C[C@@H](CN1c1ccccc1)c1nnc(NC(=O)[*:1])o1
CC(C)n1cc(NC(=O)Nc2cccnc2)cn1 c1cncc(c1)[*:1] CC(C)n1cc(cn1)NC(=O)N[*:1]
CC(C)n1cc(NC(=O)Nc2cccnc2)cn1 CC(C)[*:1] O=C(Nc1cccnc1)Nc1cnn(c1)[*:1]
C=CCn1c(CC)nnc1SCc1cccc(Br)c1 C=CC[*:1] CCc1nnc(SCc2cccc(Br)c2)n1[*:1]
Cc1noc2ncc(S(=O)(=O)NCC(C)(C)c3ccncc3)cc12 c1cc(ccn1)[*:1] Cc1noc2ncc(cc12)S(=O)(=O)NCC(C)(C)[*:1]
Cc1cccc2c(=O)n(CC(=O)NCc3cccc(OC(F)F)c3)cnc12 FC(F)[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)NCc1cccc(c1)O[*:1]
Cc1cccc2c(=O)n(CC(=O)NCc3cccc(OC(F)F)c3)cnc12 FC(F)O[*:1] Cc1cccc2c(=O)n(cnc12)CC(=O)NCc1cccc(c1)[*:1]
O=C(NCCC(=O)N1CCOC[C@H](CO)C1)c1ccccc1F Fc1ccccc1[*:1] O=C(CCNC(=O)[*:1])N1CCOC[C@H](CO)C1
C[C@H]1CCC2=C3C(=O)N=C(/C(C#N)=C/c4cccc(Cl)c4Cl)N=C3S[C@H]2C1 Clc1cccc(c1Cl)[*:1] C[C@H]1CCC2=C3C(=O)N=C(N=C3S[C@H]2C1)C(C#N)=C[*:1]
Cc1ccc(NC(=O)C(=O)NCc2cccc(OCC#N)c2)cc1Cl N#CC[*:1] Cc1ccc(cc1Cl)NC(=O)C(=O)NCc1cccc(c1)O[*:1]
Cc1ccc(NC(=O)C(=O)NCc2cccc(OCC#N)c2)cc1Cl N#CCO[*:1] Cc1ccc(cc1Cl)NC(=O)C(=O)NCc1cccc(c1)[*:1]
Cc1ccc(NC(=O)C(=O)NCc2cccc(OCC#N)c2)cc1Cl Cc1ccc(cc1Cl)[*:1] N#CCOc1cccc(c1)CNC(=O)C(=O)N[*:1]
Cn1ncc2c1CCC[C@@H]2NC(=O)C1CCCCC1 C1CCC(CC1)[*:1] Cn1ncc2c1CCC[C@@H]2NC(=O)[*:1]
C#CCN1CCN(C(=O)CNc2cc(NC(=O)C(C)(C)C)ccc2C)CC1 C#CC[*:1] Cc1ccc(cc1NCC(=O)N1CCN(CC1)[*:1])NC(=O)C(C)(C)C
C#CCN1CCN(C(=O)CNc2cc(NC(=O)C(C)(C)C)ccc2C)CC1 CC(C)(C)C(=O)N[*:1] C#CCN1CCN(CC1)C(=O)CNc1cc(ccc1C)[*:1]
C#CCN1CCN(C(=O)CNc2cc(NC(=O)C(C)(C)C)ccc2C)CC1 CC(C)(C)[*:1] C#CCN1CCN(CC1)C(=O)CNc1cc(ccc1C)NC(=O)[*:1]
Cc1ccc(CC(=O)NC[C@@H](CCO)c2ccccc2)cc1O OCC[*:1] Cc1ccc(cc1O)CC(=O)NC[C@@H](c1ccccc1)[*:1]
Cc1ccc(CC(=O)NC[C@@H](CCO)c2ccccc2)cc1O c1ccc(cc1)[*:1] Cc1ccc(cc1O)CC(=O)NC[C@@H](CCO)[*:1]
C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[*:1]
O=S(=O)(/N=C(\[O-])C1(c2cccc(C(F)(F)F)c2)CC1)C1CCCC1 FC(F)(F)[*:1] O=S(=O)(/N=C(\[O-])C1(CC1)c1cccc(c1)[*:1])C1CCCC1
O=S(=O)(/N=C(\[O-])C1(c2cccc(C(F)(F)F)c2)CC1)C1CCCC1 C1CCC(C1)[*:1] O=S(=O)(/N=C(\[O-])C1(CC1)c1cccc(c1)C(F)(F)F)[*:1]
Cc1cc(C(F)(F)F)cc(N)n1 FC(F)(F)[*:1] Cc1cc(cc(N)n1)[*:1]
Cn1cc(C(=O)NCc2cccc(N3CCCCC3)c2)c2ccccc2c1=O C1CCN(CC1)[*:1] Cn1cc(C(=O)NCc2cccc(c2)[*:1])c2ccccc2c1=O
Cc1cnc(C(C)(C)NC(=O)Nc2cccc(C#N)c2)s1 Cc1cnc(s1)[*:1] CC(C)(NC(=O)Nc1cccc(C#N)c1)[*:1]
CCOCCN(C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 CCOC[*:1] C[C@H](NC(=O)N(C)C[*:1])c1ccc2ccccc2c1
CCOCCN(C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 CCOCC[*:1] C[C@H](NC(=O)N(C)[*:1])c1ccc2ccccc2c1
CCOCCN(C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 CCO[*:1] C[C@H](NC(=O)N(C)CC[*:1])c1ccc2ccccc2c1
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 O=C(N1CCOCC1)[*:1] COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)OC[*:1]
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 O=C(C[*:1])N1CCOCC1 COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)O[*:1]
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccc(cc1)S(=O)(=O)N[*:1])N1CCOCC1
CCC(=O)N1N=C(C(=O)OC)C[C@@]1(O)C(C)(C)C CC(C)(C)[*:1] CCC(=O)N1N=C(C[C@]1(O)[*:1])C(=O)OC
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 Clc1ccc(cc1)O[*:1] CNS(=O)(=O)c1ccc(C)c(c1)NC(=O)[C@H](C)[*:1]
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CNS(=O)(=O)c1ccc(C)c(c1)NC(=O)[C@H](C)O[*:1]
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1)[*:1]
O=C(COc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1O c1ccc(cc1)OC[*:1] O=C(Nc1ccc(NC(=O)[*:1])c(O)c1)c1cccs1
O=C(COc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1O c1ccc(cc1)[*:1] O=C(CO[*:1])Nc1ccc(cc1O)NC(=O)c1cccs1
O=C(COc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1O c1csc(c1)[*:1] O=C(COc1ccccc1)Nc1ccc(cc1O)NC(=O)[*:1]
O=C(COc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1O O=C(N[*:1])c1cccs1 O=C(COc1ccccc1)Nc1ccc(cc1O)[*:1]
O=C(COc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1O c1ccc(cc1)O[*:1] O=C(C[*:1])Nc1ccc(cc1O)NC(=O)c1cccs1
COC[C@@H](C)n1c(SCc2ccccn2)nc2ccccc2c1=O c1ccc(C[*:1])nc1 COC[C@@H](C)n1c(nc2ccccc2c1=O)S[*:1]
COC[C@@H](C)n1c(SCc2ccccn2)nc2ccccc2c1=O COC[*:1] C[C@@H](n1c(nc2ccccc2c1=O)SCc1ccccn1)[*:1]
COC[C@@H](C)n1c(SCc2ccccn2)nc2ccccc2c1=O c1ccc(CS[*:1])nc1 COC[C@@H](C)n1c(nc2ccccc2c1=O)[*:1]
COC[C@@H](C)n1c(SCc2ccccn2)nc2ccccc2c1=O c1ccc(nc1)[*:1] COC[C@@H](C)n1c(nc2ccccc2c1=O)SC[*:1]
O=C([C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1)N1CCN(c2ccccc2Cl)CC1 c1cn(cn1)[*:1] O=C([C@@H]1CCCN(C1)c1ccc(nn1)[*:1])N1CCN(CC1)c1ccccc1Cl
O=C([C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1)N1CCN(c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C([C@@H]1CCCN(C1)c1ccc(nn1)-n1ccnc1)N1CCN(CC1)[*:1]
CN(Cc1ccco1)C(=O)CNc1c(F)cc(Br)cc1F c1coc(c1)C[*:1] CN(C(=O)CNc1c(F)cc(Br)cc1F)[*:1]
CN(Cc1ccco1)C(=O)CNc1c(F)cc(Br)cc1F c1coc(c1)[*:1] CN(C[*:1])C(=O)CNc1c(F)cc(Br)cc1F
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1 CCO[*:1] Cn1c(=O)c2c(OC(N)=C(C#N)[C@H]2c2ccc(cc2)[*:1])c2ccccc21
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1 CCOc1ccc(cc1)[*:1] Cn1c(=O)c2c(OC(N)=C(C#N)[C@H]2[*:1])c2ccccc21
CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3sccc3C(N)=O)CC2)c1 CS(=O)(=O)[*:1] NC(=O)c1ccsc1NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3sccc3C(N)=O)CC2)c1 CS(=O)(=O)c1cccc(c1)[*:1] NC(=O)c1ccsc1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3sccc3C(N)=O)CC2)c1 NC(=O)[*:1] CS(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1sccc1[*:1]
CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3sccc3C(N)=O)CC2)c1 NC(=O)c1ccsc1[*:1] CS(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@@H](C#N)[C@H](O)c1cc(Br)c(Br)o1 C[C@@H](C#N)[*:1] O[C@H](c1cc(Br)c(Br)o1)[*:1]
Cc1nnnn1-c1cccc(NC(=O)c2cc3cccc(Cl)c3o2)c1 Cc1nnnn1[*:1] O=C(Nc1cccc(c1)[*:1])c1cc2cccc(Cl)c2o1
CCS[C@@H]1CC[C@@H](NC(=O)NC2(c3nccs3)CCCC2)C1 c1csc(n1)[*:1] CCS[C@@H]1CC[C@H](C1)NC(=O)NC1(CCCC1)[*:1]
CCS[C@@H]1CC[C@@H](NC(=O)NC2(c3nccs3)CCCC2)C1 CCS[*:1] O=C(N[C@@H]1CC[C@H](C1)[*:1])NC1(CCCC1)c1nccs1
C[C@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1c(F)cccc1Cl Fc1cccc(Cl)c1[*:1] C[C@H](NC(=O)Nc1cnn(c1)C[C@@H]1CCCO1)[*:1]
C[C@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1c(F)cccc1Cl C1CO[C@@H](C1)C[*:1] C[C@H](NC(=O)Nc1cnn(c1)[*:1])c1c(F)cccc1Cl
C[C@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1c(F)cccc1Cl C1CO[C@@H](C1)[*:1] C[C@H](NC(=O)Nc1cnn(c1)C[*:1])c1c(F)cccc1Cl
CC(C)(C)[C@@H](Cl)Cc1c(F)cccc1F CC(C)(C)[*:1] Fc1cccc(F)c1C[C@H](Cl)[*:1]
Cc1cccc([C@@H](C)SCc2nnc(C)n2C2CC2)c1 C1CC1[*:1] Cc1cccc(c1)[C@@H](C)SCc1nnc(C)n1[*:1]
NC(=O)C1CCN(C(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)CC1 NC(=O)[*:1] O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCC(CC1)[*:1]
C[NH2+][C@]1(C(=O)OC)CCC[C@@H]1CCN1CCS(=O)CC1 COC(=O)[*:1] C[NH2+][C@@]1(CCC[C@@H]1CCN1CCS(=O)CC1)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1)C(C)C Cc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)Nc1ccc(Br)cc1
Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1)C(C)C CC(C)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1)[*:1]
Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(Br)cc1)C(C)C Brc1ccc(cc1)[*:1] Cc1ccccc1C(=O)N[C@@H](C(=O)N[*:1])C(C)C
C[C@@H](OC(=O)C1CCCC1)c1ccc(Cl)cc1 C1CCC(C1)[*:1] C[C@@H](OC(=O)[*:1])c1ccc(Cl)cc1
CCc1nn(C)c(OC)c1CNC(=O)NC[C@@H](O)c1ccncc1 c1cc(ccn1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)NC[C@@H](O)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)NC[C@@H](O)c1ccncc1 O[C@@H](c1ccncc1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)NC[*:1]
Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Oc2ccccc2C)c1 Cc1ccccc1[*:1] Cc1cc(c(C)c(c1)S(=O)(=O)O[*:1])S(C)(=O)=O
Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Oc2ccccc2C)c1 CS(=O)(=O)[*:1] Cc1cc(c(C)c(c1)[*:1])S(=O)(=O)Oc1ccccc1C
C[NH+](C)Cc1cccc(CNC(=O)NC2(c3cccc(Cl)c3)CC2)c1 Clc1cccc(c1)[*:1] C[NH+](C)Cc1cccc(c1)CNC(=O)NC1(CC1)[*:1]
CC(=O)c1cccc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 Clc1ccc(cc1)[*:1] CC(=O)c1cccc(c1)NC(=O)N[C@@H]1CCO[C@@H]1[*:1]
CC(=O)c1cccc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 CC(=O)[*:1] O=C(Nc1cccc(c1)[*:1])N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1
Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 Cc1ccc(cc1)[*:1] O=C(CCNS(=O)(=O)c1ccc2CCCCc2c1)NC[*:1]
Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 Cc1ccc(cc1)C[*:1] O=C(CCNS(=O)(=O)c1ccc2CCCCc2c1)N[*:1]
CCc1nn(C)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O CCc1nn(C)cc1[*:1] C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[*:1])C2=O
S=C(Nc1ccc(I)cc1)N1CCn2cccc2[C@H]1c1ccccc1 c1ccc(cc1)[*:1] S=C(Nc1ccc(I)cc1)N1CCn2cccc2[C@@H]1[*:1]
S=C(Nc1ccc(I)cc1)N1CCn2cccc2[C@H]1c1ccccc1 Ic1ccc(cc1)[*:1] S=C(N[*:1])N1CCn2cccc2[C@H]1c1ccccc1
COc1ccc(CNC(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1 COc1ccc(cc1)[*:1] Cn1cc(c2ccccc21)[C@@H](CNC(=O)NC[*:1])[NH+](C)C
COc1ccc(CNC(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1 COc1ccc(cc1)C[*:1] Cn1cc(c2ccccc21)[C@@H](CNC(=O)N[*:1])[NH+](C)C
Cn1c(CC(=O)NNC(=O)CCCc2c[nH]c3ccccc23)nc2ccccc21 c1ccc2c(c[nH]c2c1)[*:1] Cn1c(CC(=O)NNC(=O)CCC[*:1])nc2ccccc21
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1c(F)cccc1F C1CC1[*:1] C[C@@H](Sc1nnc(n1Cc1ccco1)[*:1])c1c(F)cccc1F
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)[*:1]
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1c(F)cccc1F c1coc(c1)C[*:1] C[C@@H](Sc1nnc(C2CC2)n1[*:1])c1c(F)cccc1F
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1c(F)cccc1F c1coc(c1)[*:1] C[C@@H](Sc1nnc(C2CC2)n1C[*:1])c1c(F)cccc1F
COC(=O)[C@@H](N)c1cnc(N)c2ncsc12 COC(=O)[*:1] Nc1ncc(c2scnc12)[C@H](N)[*:1]
Cc1nnc(N2CCN(Cc3ccc(C(C)C)cc3)CC2)s1 CC(C)[*:1] Cc1nnc(s1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
Cc1nnc(N2CCN(Cc3ccc(C(C)C)cc3)CC2)s1 Cc1nnc(s1)[*:1] CC(C)c1ccc(cc1)CN1CCN(CC1)[*:1]
CCOc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1[S@@](=O)CC CCO[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1[*:1]
COC(=O)C[C@@H]1Oc2ccccc2N(Cc2snnc2C(C)C)C1=O CC(C)[*:1] COC(=O)C[C@@H]1Oc2ccccc2N(Cc2snnc2[*:1])C1=O
COC(=O)C[C@@H]1Oc2ccccc2N(Cc2snnc2C(C)C)C1=O COC(=O)C[*:1] CC(C)c1nnsc1CN1C(=O)[C@@H](Oc2ccccc21)[*:1]
COC(=O)C[C@@H]1Oc2ccccc2N(Cc2snnc2C(C)C)C1=O CC(C)c1nnsc1[*:1] COC(=O)C[C@@H]1Oc2ccccc2N(C[*:1])C1=O
COC(=O)C[C@@H]1Oc2ccccc2N(Cc2snnc2C(C)C)C1=O COC(=O)[*:1] CC(C)c1nnsc1CN1C(=O)[C@H](C[*:1])Oc2ccccc21
COC(=O)[C@H](Nc1ccc(Cl)c(CSC)c1)c1cccc(C#N)c1 COC(=O)[*:1] CSCc1cc(ccc1Cl)N[C@H](c1cccc(C#N)c1)[*:1]
COC(=O)[C@H](Nc1ccc(Cl)c(CSC)c1)c1cccc(C#N)c1 N#Cc1cccc(c1)[*:1] COC(=O)[C@H](Nc1ccc(Cl)c(c1)CSC)[*:1]
COC(=O)[C@H](Nc1ccc(Cl)c(CSC)c1)c1cccc(C#N)c1 CSC[*:1] COC(=O)[C@H](Nc1ccc(Cl)c(c1)[*:1])c1cccc(C#N)c1
O=C(CSc1nnc2sc3ccccc3n12)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] c1ccc2c(c[nH]c2c1)C[*:1] O=C(CSc1nnc2sc3ccccc3n12)N[C@H](C(=O)[O-])[*:1]
O=C(CSc1nnc2sc3ccccc3n12)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] c1ccc2c(c[nH]c2c1)[*:1] O=C(CSc1nnc2sc3ccccc3n12)N[C@H](C[*:1])C(=O)[O-]
O=C(CSc1nnc2sc3ccccc3n12)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] O=C([O-])[*:1] O=C(CSc1nnc2sc3ccccc3n12)N[C@H](Cc1c[nH]c2ccccc12)[*:1]
O=C(NCCCC(=O)N1CCCC1)c1cccc2nscc12 O=C(N1CCCC1)[*:1] O=C(NCCC[*:1])c1cccc2nscc12
COC(=O)[C@@H]1CN(C(=O)c2c(C)nn(CCCl)c2C)CCO1 COC(=O)[*:1] Cc1nn(CCCl)c(C)c1C(=O)N1CCO[C@@H](C1)[*:1]
COC(=O)[C@@H]1CN(C(=O)c2c(C)nn(CCCl)c2C)CCO1 ClCC[*:1] COC(=O)[C@@H]1CN(CCO1)C(=O)c1c(C)nn(c1C)[*:1]
O=C(CCCSc1ccccc1)N1CCOCC1 c1ccc(cc1)[*:1] O=C(CCCS[*:1])N1CCOCC1
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 Clc1cccc(c1Cl)[*:1] O=C(c1ccc(cc1)-n1cncn1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 c1ncn(n1)[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1Cl
CCN(CC(=O)O[C@@H]1CCC[C@H]1n1cccn1)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC(=O)O[C@@H]1CCC[C@H]1n1cccn1)[*:1]
CCN(CC(=O)O[C@@H]1CCC[C@H]1n1cccn1)c1ccccc1 c1cnn(c1)[*:1] CCN(CC(=O)O[C@@H]1CCC[C@@H]1[*:1])c1ccccc1
CC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)c2ncc(C)s2)c1 CC(=O)N[*:1] Cc1cnc(s1)C(C)(C)NS(=O)(=O)c1cc(ccc1C)[*:1]
CC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)c2ncc(C)s2)c1 Cc1cnc(s1)[*:1] CC(=O)Nc1ccc(C)c(c1)S(=O)(=O)NC(C)(C)[*:1]
C[C@@H]1CCCCN1c1cc(C(=O)NCCNc2ncccn2)ccn1 c1cnc(nc1)N[*:1] C[C@@H]1CCCCN1c1cc(ccn1)C(=O)NCC[*:1]
C[C@@H]1CCCCN1c1cc(C(=O)NCCNc2ncccn2)ccn1 c1cnc(nc1)NC[*:1] C[C@@H]1CCCCN1c1cc(ccn1)C(=O)NC[*:1]
C[C@@H]1CCCCN1c1cc(C(=O)NCCNc2ncccn2)ccn1 c1cnc(nc1)[*:1] C[C@@H]1CCCCN1c1cc(ccn1)C(=O)NCCN[*:1]
C[C@@H]1CCCCN1c1cc(C(=O)NCCNc2ncccn2)ccn1 C[C@@H]1CCCCN1[*:1] O=C(NCCNc1ncccn1)c1ccnc(c1)[*:1]
Cc1nsc(NC(=O)[C@]2([NH3+])CCC[C@@H](C)C2)c1C(=O)[O-] O=C([O-])[*:1] Cc1nsc(NC(=O)[C@]2([NH3+])CCC[C@@H](C)C2)c1[*:1]
CC(=O)N[C@@H]1CCCN(C(=O)CNc2c(F)cc(Cl)cc2F)C1 CC(=O)N[*:1] O=C(CNc1c(F)cc(Cl)cc1F)N1CCC[C@H](C1)[*:1]
COc1ccccc1-c1cc(C(=O)NCC2(c3cc(C)cc(C)c3)CCOCC2)[nH]n1 COc1ccccc1[*:1] Cc1cc(C)cc(c1)C1(CCOCC1)CNC(=O)c1cc(n[nH]1)[*:1]
COc1ccccc1-c1cc(C(=O)NCC2(c3cc(C)cc(C)c3)CCOCC2)[nH]n1 Cc1cc(C)cc(c1)[*:1] COc1ccccc1-c1cc([nH]n1)C(=O)NCC1(CCOCC1)[*:1]
O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)N[*:1]
O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1ccc(F)c(F)c1 c1ccc(cc1)[*:1] O=C(COC(=O)c1ccc(=O)n(C[*:1])n1)Nc1ccc(F)c(F)c1
O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1ccc(F)c(F)c1 c1ccc(cc1)C[*:1] O=C(COC(=O)c1ccc(=O)n(n1)[*:1])Nc1ccc(F)c(F)c1
CCCC[C@H]([NH2+][C@H]1CCN(C(C)=O)C[C@@H]1CC)C(N)=O CCCC[*:1] CC[C@H]1CN(CC[C@@H]1[NH2+][C@H](C(N)=O)[*:1])C(C)=O
CCCC[C@H]([NH2+][C@H]1CCN(C(C)=O)C[C@@H]1CC)C(N)=O NC(=O)[*:1] CCCC[C@H]([NH2+][C@H]1CCN(C[C@@H]1CC)C(C)=O)[*:1]
CCCC[C@H]([NH2+][C@H]1CCN(C(C)=O)C[C@@H]1CC)C(N)=O CCC[*:1] CC[C@H]1CN(CC[C@@H]1[NH2+][C@@H](C[*:1])C(N)=O)C(C)=O
Cc1cc(C)n(-c2cncc(NCCCc3ccc(O)cc3)n2)n1 Oc1ccc(cc1)C[*:1] Cc1cc(C)n(n1)-c1cncc(n1)NCC[*:1]
Cc1cc(C)n(-c2cncc(NCCCc3ccc(O)cc3)n2)n1 Cc1cc(C)n(n1)[*:1] Oc1ccc(cc1)CCCNc1cncc(n1)[*:1]
Cc1cc(C)n(-c2cncc(NCCCc3ccc(O)cc3)n2)n1 Oc1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1cncc(n1)NCCC[*:1]
Cc1nc(C)n(C[C@@H]2CCCCN2Cc2nc3c(F)cccc3[nH]2)n1 Cc1nc(C)n(n1)[*:1] Fc1cccc2[nH]c(CN3CCCC[C@H]3C[*:1])nc12
Cc1nc(C)n(C[C@@H]2CCCCN2Cc2nc3c(F)cccc3[nH]2)n1 Cc1nc(C)n(C[*:1])n1 Fc1cccc2[nH]c(CN3CCCC[C@H]3[*:1])nc12
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(Br)cc1F NC(=O)[*:1] C[C@@H]1CC[C@H](CN1C(=O)c1ccc(Br)cc1F)[*:1]
O=C(NCc1cccs1)[C@H]1CC(=O)N(CC(F)(F)F)C1 c1csc(c1)C[*:1] O=C(N[*:1])[C@H]1CC(=O)N(C1)CC(F)(F)F
O=C(NCc1cccs1)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)C[*:1] O=C(NCc1cccs1)[C@H]1CC(=O)N(C1)[*:1]
O=C(NCc1cccs1)[C@H]1CC(=O)N(CC(F)(F)F)C1 c1csc(c1)[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(C1)CC(F)(F)F
O=C(NCc1cccs1)[C@H]1CC(=O)N(CC(F)(F)F)C1 FC(F)(F)[*:1] O=C(NCc1cccs1)[C@H]1CC(=O)N(C1)C[*:1]
Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)/C=C/c3ccco3)nn12 c1coc(c1)[*:1] Cc1nnc2sc(nn12)-c1ccccc1NC(=S)NC(=O)C=C[*:1]
Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)/C=C/c3ccco3)nn12 Cc1nnc2sc(nn12)[*:1] O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1[*:1]
Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)/C=C/c3ccco3)nn12 C(=C[*:1])c1ccco1 Cc1nnc2sc(nn12)-c1ccccc1NC(=S)NC(=O)[*:1]
O=C(c1cn(Cc2ccccc2F)nn1)N1CCC(O)(c2ccccc2)CC1 Fc1ccccc1C[*:1] O=C(c1cn(nn1)[*:1])N1CCC(O)(CC1)c1ccccc1
O=C(c1cn(Cc2ccccc2F)nn1)N1CCC(O)(c2ccccc2)CC1 Fc1ccccc1[*:1] O=C(c1cn(C[*:1])nn1)N1CCC(O)(CC1)c1ccccc1
O=C(c1cn(Cc2ccccc2F)nn1)N1CCC(O)(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(c1cn(Cc2ccccc2F)nn1)N1CCC(O)(CC1)[*:1]
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NCc2ccc(Cl)c(Cl)c2)cc1 Clc1ccc(cc1Cl)[*:1] O=[N+]([O-])c1ccc(cc1)[C@@H](O)[C@H](CO)NC[*:1]
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NCc2ccc(Cl)c(Cl)c2)cc1 O=[N+]([O-])[*:1] OC[C@H](NCc1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(cc1)[*:1]
COC(=O)[C@@H](Cc1ccccc1)Sc1nnnn1-c1cccc(C)c1C Cc1cccc(c1C)[*:1] COC(=O)[C@@H](Cc1ccccc1)Sc1nnnn1[*:1]
COC(=O)[C@@H](Cc1ccccc1)Sc1nnnn1-c1cccc(C)c1C c1ccc(cc1)[*:1] COC(=O)[C@@H](C[*:1])Sc1nnnn1-c1cccc(C)c1C
COC(=O)[C@@H](Cc1ccccc1)Sc1nnnn1-c1cccc(C)c1C COC(=O)[*:1] Cc1cccc(c1C)-n1nnnc1S[C@H](Cc1ccccc1)[*:1]
COC(=O)[C@@H](Cc1ccccc1)Sc1nnnn1-c1cccc(C)c1C c1ccc(cc1)C[*:1] COC(=O)[C@@H](Sc1nnnn1-c1cccc(C)c1C)[*:1]
Cc1nc(C)c(OCc2nc(CCc3ccccc3)no2)c(C)n1 c1ccc(cc1)[*:1] Cc1nc(C)c(OCc2nc(CC[*:1])no2)c(C)n1
Cc1nc(C)c(OCc2nc(CCc3ccccc3)no2)c(C)n1 c1ccc(cc1)C[*:1] Cc1nc(C)c(OCc2nc(C[*:1])no2)c(C)n1
Cc1nc(C)c(OCc2nc(CCc3ccccc3)no2)c(C)n1 c1ccc(cc1)CC[*:1] Cc1nc(C)c(OCc2nc(no2)[*:1])c(C)n1
C=CCN(CC(=O)[O-])C(=O)N1CC[NH+](C)C(C)(C)C1 O=C([O-])[*:1] C=CCN(C[*:1])C(=O)N1CC[NH+](C)C(C)(C)C1
C=CCN(CC(=O)[O-])C(=O)N1CC[NH+](C)C(C)(C)C1 C=CC[*:1] C[NH+]1CCN(CC1(C)C)C(=O)N(CC(=O)[O-])[*:1]
C=CCN(CC(=O)[O-])C(=O)N1CC[NH+](C)C(C)(C)C1 O=C([O-])C[*:1] C=CCN(C(=O)N1CC[NH+](C)C(C)(C)C1)[*:1]
Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](CO)C(C)C CC(C)(C)[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@H](CO)C(C)C)[*:1]
Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](CO)C(C)C CC(C)[*:1] Cc1nc(sc1[C@H](C)[NH2+][C@H](CO)[*:1])C(C)(C)C
O=C(NCC1CC[NH+](C2CCCC2)CC1)c1ccccc1Br C1CCC(C1)[*:1] O=C(NCC1CC[NH+](CC1)[*:1])c1ccccc1Br
O=C(NCC1CC[NH+](C2CCCC2)CC1)c1ccccc1Br Brc1ccccc1[*:1] O=C(NCC1CC[NH+](CC1)C1CCCC1)[*:1]
Nc1cc(C(=O)[O-])c(O)c([N+](=O)[O-])c1 O=C([O-])[*:1] Nc1cc(c(O)c(c1)[*:1])[N+](=O)[O-]
Nc1cc(C(=O)[O-])c(O)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Nc1cc(C(=O)[O-])c(O)c(c1)[*:1]
CS(=O)(=O)c1cccc(OCc2nc(Cc3ccccc3)no2)c1 c1ccc(cc1)C[*:1] CS(=O)(=O)c1cccc(c1)OCc1nc(no1)[*:1]
CS(=O)(=O)c1cccc(OCc2nc(Cc3ccccc3)no2)c1 CS(=O)(=O)[*:1] c1ccc(cc1)Cc1noc(COc2cccc(c2)[*:1])n1
CS(=O)(=O)c1cccc(OCc2nc(Cc3ccccc3)no2)c1 c1ccc(cc1)[*:1] CS(=O)(=O)c1cccc(c1)OCc1nc(C[*:1])no1
Cc1nnc(-c2ccc(C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)cc2)o1 c1ccc(cc1)[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](C[NH+](C)C)C[*:1]
Cc1nnc(-c2ccc(C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)cc2)o1 Cc1nnc(o1)[*:1] C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(cc1)[*:1]
Cc1nnc(-c2ccc(C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)cc2)o1 c1ccc(cc1)C[*:1] Cc1nnc(o1)-c1ccc(cc1)C(=O)N[C@H](C[NH+](C)C)[*:1]
Cc1ccc(C(=O)NNC(=O)NCc2ncc(-c3ccccc3)o2)o1 c1ccc(cc1)[*:1] Cc1ccc(o1)C(=O)NNC(=O)NCc1ncc(o1)[*:1]
Cc1ccc(C(=O)NNC(=O)NCc2ncc(-c3ccccc3)o2)o1 Cc1ccc(o1)[*:1] O=C(NCc1ncc(o1)-c1ccccc1)NNC(=O)[*:1]
Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)N4CCCC4)n3)n2)cc1C O=C(N1CCCC1)[*:1] Cc1ccc(cc1C)-c1ccc(=O)n(Cc2noc(n2)[*:1])n1
Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)N4CCCC4)n3)n2)cc1C Cc1ccc(cc1C)[*:1] O=C(c1nc(Cn2nc(ccc2=O)[*:1])no1)N1CCCC1
COc1ccccc1[C@H](CC[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C)c1ccco1 COc1ccccc1[*:1] C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC[C@H](c1ccco1)[*:1]
COc1ccccc1[C@H](CC[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C)c1ccco1 c1coc(c1)[*:1] COc1ccccc1[C@H](CC[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C)[*:1]
Cc1nc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c2cc[nH]c2n1 CC(C)[*:1] Cc1nc(NC[C@@H](N2CC[NH+](C)CC2)[*:1])c2cc[nH]c2n1
CCc1ccc(CC)c(NC(=O)c2cc(S(=O)(=O)NC)oc2C)c1 CNS(=O)(=O)[*:1] CCc1ccc(CC)c(c1)NC(=O)c1cc(oc1C)[*:1]
CN(C)C(=O)CNC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O CN(C)C(=O)C[*:1] C[C@]1(Oc2ccc(Cl)cc2NC1=O)C(=O)N[*:1]
CN(C)C(=O)CNC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O CN(C)C(=O)[*:1] C[C@]1(Oc2ccc(Cl)cc2NC1=O)C(=O)NC[*:1]
CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccccc3C)C2=O)CC1 Cc1ccccc1[*:1] CCOC(=O)N1CCN(CC1)[C@@H]1CC(=O)N(C1=O)[*:1]
Cc1cc(CO/N=C(/N)C(C)(C)NC(=O)c2cccc(Cl)c2)on1 Cc1cc(C[*:1])on1 CC(C)(NC(=O)c1cccc(Cl)c1)/C(N)=N\O[*:1]
Cc1cc(CO/N=C(/N)C(C)(C)NC(=O)c2cccc(Cl)c2)on1 Cc1cc(on1)[*:1] CC(C)(NC(=O)c1cccc(Cl)c1)/C(N)=N\OC[*:1]
Cc1cc(CO/N=C(/N)C(C)(C)NC(=O)c2cccc(Cl)c2)on1 Clc1cccc(c1)[*:1] Cc1cc(CO/N=C(/N)C(C)(C)NC(=O)[*:1])on1
CC(C)(C)OC(=O)NCc1cccc(NC(=O)NCc2ccoc2)c1 CC(C)(C)[*:1] O=C(NCc1ccoc1)Nc1cccc(c1)CNC(=O)O[*:1]
CC(C)(C)OC(=O)NCc1cccc(NC(=O)NCc2ccoc2)c1 c1cc(co1)[*:1] CC(C)(C)OC(=O)NCc1cccc(c1)NC(=O)NC[*:1]
CC(C)(C)OC(=O)NCc1cccc(NC(=O)NCc2ccoc2)c1 c1cc(co1)C[*:1] CC(C)(C)OC(=O)NCc1cccc(c1)NC(=O)N[*:1]
CC(C)(C)OC(=O)NCc1cccc(NC(=O)NCc2ccoc2)c1 CC(C)(C)OC(=O)N[*:1] O=C(NCc1ccoc1)Nc1cccc(c1)C[*:1]
O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(C1)C[*:1]
O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1nnc(C[*:1])s1)[C@@H]1CC(=O)N(Cc2ccccc2)C1
O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Nc1nnc(s1)[*:1])[C@@H]1CC(=O)N(Cc2ccccc2)C1
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2oc(C3CC3)nc2c1 COC(=O)[*:1] O=C(Nc1ccc2oc(nc2c1)C1CC1)N[C@H]1CCC[C@H]1[*:1]
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2oc(C3CC3)nc2c1 C1CC1[*:1] COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2oc(nc2c1)[*:1]
c1cc(-c2nc3c(c(NC[C@H]4CCCO4)n2)CC[NH2+]CC3)ccn1 C1CO[C@H](C1)[*:1] c1cc(ccn1)-c1nc2CC[NH2+]CCc2c(n1)NC[*:1]
c1cc(-c2nc3c(c(NC[C@H]4CCCO4)n2)CC[NH2+]CC3)ccn1 C1CO[C@H](C1)CN[*:1] c1cc(ccn1)-c1nc2CC[NH2+]CCc2c(n1)[*:1]
c1cc(-c2nc3c(c(NC[C@H]4CCCO4)n2)CC[NH2+]CC3)ccn1 c1cc(ccn1)[*:1] C1CO[C@H](C1)CNc1nc(nc2CC[NH2+]CCc21)[*:1]
c1cc(-c2nc3c(c(NC[C@H]4CCCO4)n2)CC[NH2+]CC3)ccn1 C1CO[C@H](C1)C[*:1] c1cc(ccn1)-c1nc2CC[NH2+]CCc2c(n1)N[*:1]
CC(=O)Nc1ccc2nc(CN3CCC[C@H](N4CCOCC4)C3)ccc2c1 C1CN(CCO1)[*:1] CC(=O)Nc1ccc2nc(ccc2c1)CN1CCC[C@H](C1)[*:1]
CC(=O)Nc1ccc2nc(CN3CCC[C@H](N4CCOCC4)C3)ccc2c1 CC(=O)N[*:1] c1cc2nc(ccc2cc1[*:1])CN1CCC[C@@H](C1)N1CCOCC1
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1cccnc1 c1cncc(c1)[*:1] C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C=C[*:1]
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1cccnc1 Fc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)NNC(=O)/C=C/c1cccnc1
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1cccnc1 Fc1ccccc1O[*:1] C[C@@H](C(=O)NNC(=O)/C=C/c1cccnc1)[*:1]
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)/C=C/c1cccnc1 C(=C[*:1])c1cccnc1 C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[*:1]
Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)N1CCN(c2ccccc2)CC1 c1ccc2oc(nc2c1)N[*:1] Cc1nc(nc(C)c1C(=O)N1CCN(CC1)c1ccccc1)[*:1]
Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1nc(nc(C)c1C(=O)N1CCN(CC1)[*:1])Nc1nc2ccccc2o1
Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)N1CCN(c2ccccc2)CC1 c1ccc2oc(nc2c1)[*:1] Cc1nc(nc(C)c1C(=O)N1CCN(CC1)c1ccccc1)N[*:1]
C=CC[NH2+]CC(=O)Nc1ccccc1C(C)C CC(C)[*:1] C=CC[NH2+]CC(=O)Nc1ccccc1[*:1]
NC(=O)c1c(F)cccc1NCCC(=O)[O-] O=C([O-])CC[*:1] NC(=O)c1c(F)cccc1N[*:1]
NC(=O)c1c(F)cccc1NCCC(=O)[O-] O=C([O-])C[*:1] NC(=O)c1c(F)cccc1NC[*:1]
NC(=O)c1c(F)cccc1NCCC(=O)[O-] NC(=O)[*:1] O=C([O-])CCNc1cccc(F)c1[*:1]
NC(=O)c1c(F)cccc1NCCC(=O)[O-] O=C([O-])[*:1] NC(=O)c1c(F)cccc1NCC[*:1]
Cc1nc(NC(=O)CCC(=O)N[C@H](C)c2ccc3c(c2)CCCO3)sc1C Cc1nc(sc1C)[*:1] C[C@@H](NC(=O)CCC(=O)N[*:1])c1ccc2OCCCc2c1
O=C(NC[C@H](O)c1ccc(F)cc1F)Nc1ccc(F)c(F)c1F Fc1ccc(c(F)c1)[*:1] O=C(NC[C@H](O)[*:1])Nc1ccc(F)c(F)c1F
CN(CCc1ccccn1)Cc1cccc(C(F)(F)F)c1 c1ccc(nc1)[*:1] CN(CC[*:1])Cc1cccc(c1)C(F)(F)F
CN(CCc1ccccn1)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CN(CCc1ccccn1)Cc1cccc(c1)[*:1]
CN(CCc1ccccn1)Cc1cccc(C(F)(F)F)c1 c1ccc(C[*:1])nc1 CN(Cc1cccc(c1)C(F)(F)F)C[*:1]
Cc1noc(C(F)(F)F)c1-c1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] Cc1noc(c1-c1nc(no1)[*:1])C(F)(F)F
Cc1noc(C(F)(F)F)c1-c1nc(-c2ccccc2)no1 FC(F)(F)[*:1] Cc1noc(c1-c1nc(no1)-c1ccccc1)[*:1]
NS(=O)(=O)c1ccc(NC(=O)CNC(=O)Cc2cccc3ccccc23)cc1 NS(=O)(=O)[*:1] O=C(Cc1cccc2ccccc12)NCC(=O)Nc1ccc(cc1)[*:1]
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3c(-c4ccccc4)noc3C)c2)c1 Cc1cccc(c1)NC(=O)N[*:1] Cc1onc(-c2ccccc2)c1C(=O)NCc1cccc(c1)[*:1]
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3c(-c4ccccc4)noc3C)c2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)NC(=O)Nc1cccc(c1)CNC(=O)c1c(noc1C)[*:1]
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3c(-c4ccccc4)noc3C)c2)c1 Cc1cccc(c1)[*:1] Cc1onc(-c2ccccc2)c1C(=O)NCc1cccc(c1)NC(=O)N[*:1]
C[C@@H]1CCC[C@@H](NC(=O)N[C@@H](CCO)c2cccs2)C1 OCC[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)N[C@@H](c1cccs1)[*:1]
C[C@@H]1CCC[C@@H](NC(=O)N[C@@H](CCO)c2cccs2)C1 c1csc(c1)[*:1] C[C@@H]1CCC[C@H](C1)NC(=O)N[C@@H](CCO)[*:1]
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)/N=C(\[O-])[C@H]2C[C@@H]2c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] O=[N+]([O-])c1ccc(Cl)c(c1)S(=O)(=O)/N=C(\[O-])[C@H]1C[C@H]1[*:1]
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)/N=C(\[O-])[C@H]2C[C@@H]2c2cccc(F)c2)c1 O=[N+]([O-])[*:1] O=S(=O)(/N=C(\[O-])[C@H]1C[C@@H]1c1cccc(F)c1)c1cc(ccc1Cl)[*:1]
CCC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)OC O=[N+]([O-])[*:1] CCC[C@@](C)(NC(=O)c1ccc(c(C)c1)[*:1])C(=O)OC
CCC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)OC COC(=O)[*:1] CCC[C@@](C)(NC(=O)c1ccc(c(C)c1)[N+](=O)[O-])[*:1]
CCC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)OC CCC[*:1] COC(=O)[C@@](C)(NC(=O)c1ccc(c(C)c1)[N+](=O)[O-])[*:1]
Cc1nc2ccccc2n1CCCNc1ccc(S(=O)(=O)N2CCOCC2)cn1 O=S(=O)(N1CCOCC1)[*:1] Cc1nc2ccccc2n1CCCNc1ccc(cn1)[*:1]
CCOC(=O)Cn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C Fc1ccc(cc1)[*:1] CCOC(=O)Cn1c(CN2CCN(CC2)[*:1])nc2c1c(=O)n(C)c(=O)n2C
CCOC(=O)Cn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C CCOC(=O)[*:1] Cn1c(=O)c2c(nc(CN3CCN(CC3)c3ccc(F)cc3)n2C[*:1])n(C)c1=O
CCOC(=O)Cn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C CCOC(=O)C[*:1] Cn1c(=O)c2c(nc(CN3CCN(CC3)c3ccc(F)cc3)n2[*:1])n(C)c1=O
Cn1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1=O O=C1CCCN1[*:1] Cn1ccc(cc1=O)C(=O)N[C@H](C[*:1])c1ccccc1
Cn1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1=O Cn1ccc(cc1=O)[*:1] O=C1CCCN1C[C@@H](NC(=O)[*:1])c1ccccc1
Cn1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1=O O=C1CCCN1C[*:1] Cn1ccc(cc1=O)C(=O)N[C@H](c1ccccc1)[*:1]
Cn1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1=O c1ccc(cc1)[*:1] Cn1ccc(cc1=O)C(=O)N[C@H](CN1CCCC1=O)[*:1]
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 c1coc(c1)[*:1] CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12)[*:1]
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 CC(=O)O[*:1] N#CC1(C#N)[C@H](c2ccco2)[C@@H](C(=O)c2ccc(cc2)[*:1])N2c3ccccc3C=C[C@@H]21
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 CC(=O)Oc1ccc(cc1)[*:1] N#CC1(C#N)[C@H](c2ccco2)[C@@H](C(=O)[*:1])N2c3ccccc3C=C[C@@H]21
CC(C)[NH2+]Cc1nnnn1C[C@]1(C)CCCO1 CC(C)[*:1] C[C@]1(CCCO1)Cn1nnnc1C[NH2+][*:1]
Cc1cc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)ccc1Br Cc1cc(ccc1Br)[*:1] O=C(N[*:1])c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)c1ccccc1
Cc1cc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)ccc1Br c1ccc(cc1)[*:1] Cc1cc(ccc1Br)NC(=O)c1ccc(cc1)NC(=O)[C@@H]1CC(=O)N(C1)[*:1]
NC(=O)c1ccc(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1 NC(=O)c1ccc(cc1)[*:1] O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[*:1]
NC(=O)c1ccc(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1 NC(=O)[*:1] O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1Cc1ccc(cc1)[*:1]
N#CC(C#N)=C(N=C(c1ccccc1)c1ccccc1)C(F)(F)F FC(F)(F)[*:1] N#CC(C#N)=C(N=C(c1ccccc1)c1ccccc1)[*:1]
N#CC(C#N)=C(N=C(c1ccccc1)c1ccccc1)C(F)(F)F c1ccc(cc1)[*:1] N#CC(C#N)=C(N=C(c1ccccc1)[*:1])C(F)(F)F
CCC[C@@H](C)C(=O)NC[C@@H]1CCCc2ccccc21 CCC[C@@H](C)[*:1] O=C(NC[C@@H]1CCCc2ccccc21)[*:1]
CCC[C@@H](C)C(=O)NC[C@@H]1CCCc2ccccc21 CCC[*:1] C[C@@H](C(=O)NC[C@@H]1CCCc2ccccc21)[*:1]
O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(OCCc2ccccc2)cc1 c1ccc(cc1)C[*:1] O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(cc1)OC[*:1]
O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(OCCc2ccccc2)cc1 c1ccc(cc1)[*:1] O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(cc1)OCC[*:1]
O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(OCCc2ccccc2)cc1 c1ccc(cc1)CC[*:1] O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(cc1)O[*:1]
COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 Cc1c(Cl)cccc1[*:1] COc1ccc(/C=C/C(=O)OCC(=O)N[*:1])cc1
COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 COc1ccc(cc1)[*:1] Cc1c(Cl)cccc1NC(=O)COC(=O)C=C[*:1]
Cc1c(C[NH+](C)C(C2CC2)C2CC2)c(=O)n(-c2ccccc2)n1C C1CC1[*:1] Cc1c(C[NH+](C)C(C2CC2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(C[NH+](C)C(C2CC2)C2CC2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(C[NH+](C)C(C2CC2)C2CC2)c(=O)n(n1C)[*:1]
CC(C)n1cnnc1SCc1nccn1Cc1ccccc1 c1ccc(cc1)C[*:1] CC(C)n1cnnc1SCc1nccn1[*:1]
CC(C)n1cnnc1SCc1nccn1Cc1ccccc1 CC(C)[*:1] c1ccc(cc1)Cn1ccnc1CSc1nncn1[*:1]
CC(C)n1cnnc1SCc1nccn1Cc1ccccc1 c1ccc(cc1)[*:1] CC(C)n1cnnc1SCc1nccn1C[*:1]
COCCOCC(=O)N[C@H](C)c1ccccc1C COC[*:1] Cc1ccccc1[C@@H](C)NC(=O)COC[*:1]
COCCOCC(=O)N[C@H](C)c1ccccc1C COCCO[*:1] Cc1ccccc1[C@@H](C)NC(=O)C[*:1]
COCCOCC(=O)N[C@H](C)c1ccccc1C COCC[*:1] Cc1ccccc1[C@@H](C)NC(=O)CO[*:1]
COCCOCC(=O)N[C@H](C)c1ccccc1C COCCOC[*:1] Cc1ccccc1[C@@H](C)NC(=O)[*:1]
NS(=O)(=O)NC[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc23)C1 O=[N+]([O-])[*:1] NS(=O)(=O)NC[C@H]1CCCN(C1)c1ccc(c2cccnc12)[*:1]
NS(=O)(=O)NC[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc23)C1 NS(=O)(=O)NC[*:1] O=[N+]([O-])c1ccc(c2ncccc12)N1CCC[C@@H](C1)[*:1]
NS(=O)(=O)NC[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc23)C1 NS(=O)(=O)N[*:1] O=[N+]([O-])c1ccc(c2ncccc12)N1CCC[C@@H](C1)C[*:1]
C[C@H](O)CN(C)C(=O)NCCCC[NH+]1CCCC1 C[C@H](O)C[*:1] CN(C(=O)NCCCC[NH+]1CCCC1)[*:1]
C[C@H](O)CN(C)C(=O)NCCCC[NH+]1CCCC1 C[C@H](O)[*:1] CN(C[*:1])C(=O)NCCCC[NH+]1CCCC1
C/C(=C\c1ccc(C(F)(F)F)cc1)C[NH3+] FC(F)(F)[*:1] C/C(=C\c1ccc(cc1)[*:1])C[NH3+]
C/C(=C\c1ccc(C(F)(F)F)cc1)C[NH3+] CC(=C[*:1])C[NH3+] FC(F)(F)c1ccc(cc1)[*:1]
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(OC)c(OC)c3)n2)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1OC)C(=O)N(C)Cc1nc(no1)[*:1]
CNC(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CNC(=O)c1ccc(NCC(c2ccccc2)[*:1])c(c1)[N+](=O)[O-]
CNC(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CNC(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)[*:1]
CNC(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 CNC(=O)[*:1] O=[N+]([O-])c1cc(ccc1NCC(c1ccccc1)c1ccccc1)[*:1]
O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C([O-])c1cc(cc(c1)[*:1])-c1ccc(cc1)C(F)(F)F
O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 O=C([O-])[*:1] O=[N+]([O-])c1cc(cc(c1)[*:1])-c1ccc(cc1)C(F)(F)F
O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 FC(F)(F)[*:1] O=C([O-])c1cc(cc(c1)[N+](=O)[O-])-c1ccc(cc1)[*:1]
Cc1ccc(O[C@H](C)C(=O)NC[C@H](C)n2nc(C)c(C)c2C)cc1C Cc1ccc(cc1C)[*:1] Cc1nn(c(C)c1C)[C@@H](C)CNC(=O)[C@@H](C)O[*:1]
Cc1ccc(O[C@H](C)C(=O)NC[C@H](C)n2nc(C)c(C)c2C)cc1C Cc1nn(c(C)c1C)[*:1] Cc1ccc(cc1C)O[C@H](C)C(=O)NC[C@H](C)[*:1]
CCc1ccc(N2C[C@@H](C(=O)NCCc3ccc(F)cc3)CC2=O)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NCC[*:1]
CCc1ccc(N2C[C@@H](C(=O)NCCc3ccc(F)cc3)CC2=O)cc1 Fc1ccc(cc1)C[*:1] CCc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NC[*:1]
CCc1ccc(N2C[C@@H](C(=O)NCCc3ccc(F)cc3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(NCCc1ccc(F)cc1)[C@H]1CC(=O)N(C1)[*:1]
Cc1nnc(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)s1 Cc1nnc(s1)[*:1] Cc1nc(sc1C(=O)N1CCC(CC1)[*:1])-n1cccc1
Cc1nnc(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)s1 c1ccn(c1)[*:1] Cc1nnc(s1)C1CCN(CC1)C(=O)c1sc(nc1C)[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[C@@H](CCC(N)=O)C1)C2 NC(=O)CC[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N1CCC[C@@H](C1)[*:1]
Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[C@@H](CCC(N)=O)C1)C2 NC(=O)[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N1CCC[C@@H](CC[*:1])C1
Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[C@@H](CCC(N)=O)C1)C2 NC(=O)C[*:1] Cc1cc2C[C@@H](Oc2cc1C)C(=O)N1CCC[C@H](C1)C[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1 Clc1ccc2oc(cc2c1)[*:1] CC(=O)Nc1ccc(cc1)NC(=O)CSc1nnc(n1C)[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1 CC(=O)N[*:1] Cn1c(nnc1-c1cc2cc(Cl)ccc2o1)SCC(=O)Nc1ccc(cc1)[*:1]
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1 CC(=O)Nc1ccc(cc1)[*:1] Cn1c(nnc1-c1cc2cc(Cl)ccc2o1)SCC(=O)N[*:1]
Cc1n[nH]c(SCC(=O)NC(C)(C)CC(C)(C)C)n1 CC(C)(C)C[*:1] Cc1n[nH]c(n1)SCC(=O)NC(C)(C)[*:1]
Cc1n[nH]c(SCC(=O)NC(C)(C)CC(C)(C)C)n1 Cc1n[nH]c(n1)[*:1] CC(C)(C)CC(C)(C)NC(=O)CS[*:1]
Cc1n[nH]c(SCC(=O)NC(C)(C)CC(C)(C)C)n1 CC(C)(C)[*:1] Cc1n[nH]c(n1)SCC(=O)NC(C)(C)C[*:1]
COC(=O)N(C)Cc1ccc(Nc2nc(C(C)C)ns2)cc1 COC(=O)N(C)[*:1] CC(C)c1nsc(n1)Nc1ccc(cc1)C[*:1]
COC(=O)N(C)Cc1ccc(Nc2nc(C(C)C)ns2)cc1 CC(C)[*:1] COC(=O)N(C)Cc1ccc(cc1)Nc1nc(ns1)[*:1]
COC(=O)N(C)Cc1ccc(Nc2nc(C(C)C)ns2)cc1 COC(=O)N(C)C[*:1] CC(C)c1nsc(n1)Nc1ccc(cc1)[*:1]
CCC(=O)Nc1cc2c(cc1OC)[C@H](c1cccc3nsnc13)CC(=O)N2 c1cc(c2nsnc2c1)[*:1] CCC(=O)Nc1cc2NC(=O)C[C@@H](c2cc1OC)[*:1]
CCC(=O)Nc1cc2c(cc1OC)[C@H](c1cccc3nsnc13)CC(=O)N2 CCC(=O)N[*:1] COc1cc2c(cc1[*:1])NC(=O)C[C@H]2c1cccc2nsnc12
COC(=O)C(C)(C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] COC(=O)[*:1] CC(C)(NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[*:1]
O=C(C[S@@](=O)Cc1cn2ccccc2n1)N(Cc1ccccc1)C1CC1 C1CC1[*:1] O=C(C[S@@](=O)Cc1cn2ccccc2n1)N(Cc1ccccc1)[*:1]
O=C(C[S@@](=O)Cc1cn2ccccc2n1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] O=C(C[S@@](=O)Cc1cn2ccccc2n1)N(C[*:1])C1CC1
O=C(C[S@@](=O)Cc1cn2ccccc2n1)N(Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] O=C(C[S@@](=O)Cc1cn2ccccc2n1)N(C1CC1)[*:1]
COc1cc(CNc2ccc(F)c(C)c2)cc([N+](=O)[O-])c1O O=[N+]([O-])[*:1] COc1cc(cc(c1O)[*:1])CNc1ccc(F)c(C)c1
COc1cc(/C=C/C(=O)Nc2ccc(Br)cc2F)ccc1OCC(N)=O NC(=O)[*:1] COc1cc(/C=C/C(=O)Nc2ccc(Br)cc2F)ccc1OC[*:1]
COc1cc(/C=C/C(=O)Nc2ccc(Br)cc2F)ccc1OCC(N)=O Fc1cc(Br)ccc1[*:1] COc1cc(/C=C/C(=O)N[*:1])ccc1OCC(N)=O
COc1cc(/C=C/C(=O)Nc2ccc(Br)cc2F)ccc1OCC(N)=O NC(=O)CO[*:1] COc1cc(/C=C/C(=O)Nc2ccc(Br)cc2F)ccc1[*:1]
COc1cc(/C=C/C(=O)Nc2ccc(Br)cc2F)ccc1OCC(N)=O NC(=O)C[*:1] COc1cc(/C=C/C(=O)Nc2ccc(Br)cc2F)ccc1O[*:1]
CCOc1cc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)ccc1O CCO[*:1] Oc1ccc(cc1[*:1])[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@@H]12
CCS[C@H]1CCCCN(C(=O)N[C@H](C)CCCO)C1 C[C@H](CCCO)[*:1] CCS[C@H]1CCCCN(C1)C(=O)N[*:1]
CCS[C@H]1CCCCN(C(=O)N[C@H](C)CCCO)C1 OCCC[*:1] CCS[C@H]1CCCCN(C1)C(=O)N[C@H](C)[*:1]
CCS[C@H]1CCCCN(C(=O)N[C@H](C)CCCO)C1 OCC[*:1] CCS[C@H]1CCCCN(C1)C(=O)N[C@H](C)C[*:1]
CCS[C@H]1CCCCN(C(=O)N[C@H](C)CCCO)C1 CCS[*:1] C[C@H](CCCO)NC(=O)N1CCCC[C@@H](C1)[*:1]
FC(F)(F)c1cccnc1CNc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)C[*:1] FC(F)(F)c1cccnc1CNc1cnn(c1)[*:1]
FC(F)(F)c1cccnc1CNc1cnn(C[C@H]2CCCO2)c1 FC(F)(F)[*:1] c1cnc(CNc2cnn(c2)C[C@H]2CCCO2)c(c1)[*:1]
FC(F)(F)c1cccnc1CNc1cnn(C[C@H]2CCCO2)c1 C1CO[C@H](C1)[*:1] FC(F)(F)c1cccnc1CNc1cnn(c1)C[*:1]
COc1cccc([C@H]2C[C@H]2C(=O)NCC2(C)Cc3ccccc3C2)c1 COc1cccc(c1)[*:1] CC1(CNC(=O)[C@@H]2C[C@@H]2[*:1])Cc2ccccc2C1
Cc1cccc(C)c1NC(=O)CNc1cccc(C(=O)N2CCSCC2)c1C O=C(N1CCSCC1)[*:1] Cc1cccc(C)c1NC(=O)CNc1cccc(c1C)[*:1]
Cc1cccc(C)c1NC(=O)CNc1cccc(C(=O)N2CCSCC2)c1C Cc1cccc(C)c1[*:1] Cc1c(cccc1C(=O)N1CCSCC1)NCC(=O)N[*:1]
Cc1ccc(S(=O)(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1Cl c1csc(c1)[*:1] Cc1ccc(cc1Cl)S(=O)(=O)NCC[C@H]1CCCCN1S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1Cl Cc1ccc(cc1Cl)[*:1] O=S(=O)(c1cccs1)N1CCCC[C@@H]1CCNS(=O)(=O)[*:1]
O=C(CCn1c(=O)oc2ccccc21)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O c1ccc(cc1)[*:1] O=C(CCn1c(=O)oc2ccccc21)NN1C(=O)NC(C1=O)(c1ccccc1)[*:1]
O=C(CCn1c(=O)oc2ccccc21)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O O=c1oc2ccccc2n1[*:1] O=C(CC[*:1])NN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
O=C(CCn1c(=O)oc2ccccc21)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O O=c1oc2ccccc2n1C[*:1] O=C(C[*:1])NN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
C=CCN1C(=S)OC(=C2C=Cc3cc(C)ccc3N2CC)C1=S C=CC[*:1] CCN1C(C=Cc2cc(C)ccc21)=C1OC(=S)N(C1=S)[*:1]
Cn1nnnc1SC[C@@H](O)COCCO OCCOC[*:1] Cn1nnnc1SC[C@@H](O)[*:1]
Cn1nnnc1SC[C@@H](O)COCCO OCC[*:1] Cn1nnnc1SC[C@@H](O)CO[*:1]
Cn1nnnc1SC[C@@H](O)COCCO OCCO[*:1] Cn1nnnc1SC[C@@H](O)C[*:1]
C[C@H]1CN(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)C[C@H](C)O1 C1CC1[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1cccc(c1)-c1nc(n[nH]1)[*:1]
C[C@H]1CN(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)C[C@H](C)O1 C1CC1c1n[nH]c(n1)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1cccc(c1)[*:1]
CC[C@H](NC(=O)CCCn1ccnn1)c1nccs1 c1cn(C[*:1])nn1 CC[C@H](NC(=O)CC[*:1])c1nccs1
CC[C@H](NC(=O)CCCn1ccnn1)c1nccs1 c1csc(n1)[*:1] CC[C@H](NC(=O)CCCn1ccnn1)[*:1]
CC[C@H](NC(=O)CCCn1ccnn1)c1nccs1 c1cn(nn1)[*:1] CC[C@H](NC(=O)CCC[*:1])c1nccs1
O=C(NCC1(c2ccccc2)CCCCCC1)NNC(=O)[C@H]1CCCO1 c1ccc(cc1)[*:1] O=C(NCC1(CCCCCC1)[*:1])NNC(=O)[C@H]1CCCO1
CCC[C@H](CCO)CNC(=O)c1occc1Br CCC[*:1] O=C(NC[C@@H](CCO)[*:1])c1occc1Br
CCC[C@H](CCO)CNC(=O)c1occc1Br OCC[*:1] CCC[C@H](CNC(=O)c1occc1Br)[*:1]
NC(=O)c1ccc(NC(=O)NNc2ccccc2F)cn1 Fc1ccccc1[*:1] NC(=O)c1ccc(cn1)NC(=O)NN[*:1]
NC(=O)c1ccc(NC(=O)NNc2ccccc2F)cn1 NC(=O)[*:1] O=C(NNc1ccccc1F)Nc1ccc(nc1)[*:1]
Cc1n[nH]c2ncc(NC(=O)NC[C@@H](C)COCc3ccccc3)cc12 c1ccc(cc1)C[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NC[C@@H](C)CO[*:1]
Cc1n[nH]c2ncc(NC(=O)NC[C@@H](C)COCc3ccccc3)cc12 c1ccc(cc1)CO[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NC[C@@H](C)C[*:1]
Cc1n[nH]c2ncc(NC(=O)NC[C@@H](C)COCc3ccccc3)cc12 c1ccc(cc1)[*:1] Cc1n[nH]c2ncc(cc12)NC(=O)NC[C@@H](C)COC[*:1]
CN(C)C(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1 CN(C)C(=O)[*:1] O=S1(=O)CCCN1c1ccc(C=C[*:1])cc1
CC(=O)C1=C(C)C(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)=N[C@H]1C Brc1cccc(c1)[*:1] CC(=O)C1=C(C)C(=N[C@H]1C)C(=O)N1CCC[C@H]1[*:1]
CC(=O)C1=C(C)C(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)=N[C@H]1C CC(=O)[*:1] CC1C(=N[C@@H](C)C=1[*:1])C(=O)N1CCC[C@@H]1c1cccc(Br)c1
CCc1ncc(CN[C@H](c2ccc(F)cc2)c2cccs2)s1 CCc1ncc(s1)[*:1] Fc1ccc(cc1)[C@@H](NC[*:1])c1cccs1
CCc1ncc(CN[C@H](c2ccc(F)cc2)c2cccs2)s1 Fc1ccc(cc1)[*:1] CCc1ncc(CN[C@H](c2cccs2)[*:1])s1
CCc1ncc(CN[C@H](c2ccc(F)cc2)c2cccs2)s1 c1csc(c1)[*:1] CCc1ncc(CN[C@H](c2ccc(F)cc2)[*:1])s1
CCc1ccc(-n2nc3c(cnc4ccc(C(=O)N[C@H](C)c5ccc(OC)c(OC)c5)cc43)c2O)cc1 CCc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H](C)NC(=O)c1ccc2ncc3c(O)n(nc3c2c1)[*:1]
CCc1ccc(-n2nc3c(cnc4ccc(C(=O)N[C@H](C)c5ccc(OC)c(OC)c5)cc43)c2O)cc1 COc1ccc(cc1OC)[*:1] CCc1ccc(cc1)-n1nc2c(cnc3ccc(cc32)C(=O)N[C@H](C)[*:1])c1O
O=C([O-])C1=N[C@H]2NC=NN2[C@@H]([C@H]2C=NN=C2c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C([O-])C1C[C@H]([C@H]2C=NN=C2[*:1])N2N=CN[C@@H]2N=1
CCOC(=O)[C@@H]1[C@@H]2NC(=S)N[C@@]1(c1ccccc1)Oc1c(OCC)cccc12 CCOC(=O)[*:1] CCOc1cccc2c1O[C@@]1(NC(=S)N[C@H]2[C@H]1[*:1])c1ccccc1
CCOC(=O)[C@@H]1[C@@H]2NC(=S)N[C@@]1(c1ccccc1)Oc1c(OCC)cccc12 CCO[*:1] CCOC(=O)[C@@H]1[C@@H]2NC(=S)N[C@]1(Oc1c2cccc1[*:1])c1ccccc1
CCOC(=O)[C@@H]1[C@@H]2NC(=S)N[C@@]1(c1ccccc1)Oc1c(OCC)cccc12 c1ccc(cc1)[*:1] CCOC(=O)[C@@H]1[C@@H]2NC(=S)N[C@]1(Oc1c(cccc12)OCC)[*:1]
COc1ccc(F)cc1NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 c1csc(c1)[*:1] COc1ccc(F)cc1NC(=O)[C@H](C)NS(=O)(=O)[*:1]
CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 c1ccn2c(cnc2c1)[*:1] CN(C[*:1])C(=O)c1cc(COc2ccc(cc2)-n2cncn2)on1
CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 c1ncn(n1)[*:1] CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc(cc2)[*:1])on1
CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 c1ccn2c(cnc2c1)C[*:1] CN(C(=O)c1cc(COc2ccc(cc2)-n2cncn2)on1)[*:1]
COC(=O)c1ccc(NC(=O)CSc2nnc3n2CCN3c2ccccc2)cc1 c1ccc(cc1)[*:1] COC(=O)c1ccc(cc1)NC(=O)CSc1nnc2N(CCn12)[*:1]
COC(=O)c1ccc(NC(=O)CSc2nnc3n2CCN3c2ccccc2)cc1 COC(=O)[*:1] O=C(CSc1nnc2N(CCn12)c1ccccc1)Nc1ccc(cc1)[*:1]
CCCOc1ncnc(NCC[C@@H](C)O)c1N C[C@@H](O)CC[*:1] CCCOc1ncnc(N[*:1])c1N
CCCOc1ncnc(NCC[C@@H](C)O)c1N C[C@@H](O)[*:1] CCCOc1ncnc(NCC[*:1])c1N
CCCOc1ncnc(NCC[C@@H](C)O)c1N CCC[*:1] C[C@@H](O)CCNc1ncnc(O[*:1])c1N
CCCOc1ncnc(NCC[C@@H](C)O)c1N C[C@@H](O)C[*:1] CCCOc1ncnc(NC[*:1])c1N
CCCOc1ncnc(NCC[C@@H](C)O)c1N CCCO[*:1] C[C@@H](O)CCNc1ncnc(c1N)[*:1]
C[C@@H]1C[C@H](NC(=O)Cc2ccc(F)c(F)c2)CN1c1ccccc1 Fc1ccc(cc1F)[*:1] C[C@@H]1C[C@@H](CN1c1ccccc1)NC(=O)C[*:1]
C[C@@H]1C[C@H](NC(=O)Cc2ccc(F)c(F)c2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@@H](CN1[*:1])NC(=O)Cc1ccc(F)c(F)c1
COC(=O)N(C)CC(=O)N(C)Cc1ccco1 c1coc(c1)[*:1] COC(=O)N(C)CC(=O)N(C)C[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)NC)c1 CCC[*:1] CNS(=O)(=O)c1cc(ccc1F)C(=O)N[C@H]1C[C@H]1[*:1]
CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)NC)c1 CNS(=O)(=O)[*:1] CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(F)c(c1)[*:1]
Cc1ccsc1CN(C)Cn1c(=O)n(C)c2ccccc21 Cc1ccsc1[*:1] CN(Cn1c(=O)n(C)c2ccccc21)C[*:1]
Cc1ccsc1CN(C)Cn1c(=O)n(C)c2ccccc21 Cc1ccsc1C[*:1] CN(Cn1c(=O)n(C)c2ccccc21)[*:1]
COc1ccccc1N1CC[NH+](Cn2nc3ccccn3c2=O)CC1 COc1ccccc1[*:1] O=c1n(C[NH+]2CCN(CC2)[*:1])nc2ccccn12
O=C(NCC[S@](=O)c1ccccc1)C1(c2cccc(F)c2)CCC1 Fc1cccc(c1)[*:1] O=C(NCC[S@](=O)c1ccccc1)C1(CCC1)[*:1]
O=C(NCC[S@](=O)c1ccccc1)C1(c2cccc(F)c2)CCC1 c1ccc(cc1)[*:1] O=C(NCC[S@](=O)[*:1])C1(CCC1)c1cccc(F)c1
C[C@@H](Cc1cccs1)N(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1
C[C@@H](Cc1cccs1)N(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1)[*:1]
O=C(Cn1ccnc1)NCc1ccc(-c2ccc(Cl)cc2)o1 Clc1ccc(cc1)[*:1] O=C(Cn1ccnc1)NCc1ccc(o1)[*:1]
O=C(Cn1ccnc1)NCc1ccc(-c2ccc(Cl)cc2)o1 c1cn(cn1)[*:1] O=C(C[*:1])NCc1ccc(o1)-c1ccc(Cl)cc1
O=C(Cn1ccnc1)NCc1ccc(-c2ccc(Cl)cc2)o1 c1cn(cn1)C[*:1] O=C(NCc1ccc(o1)-c1ccc(Cl)cc1)[*:1]
C[C@@H]([NH2+]CC1(C)CCC1)c1ccc2c(c1)OCCO2 CC1(CCC1)C[*:1] C[C@@H]([NH2+][*:1])c1ccc2OCCOc2c1
C[C@@H]([NH2+]CC1(C)CCC1)c1ccc2c(c1)OCCO2 CC1(CCC1)[*:1] C[C@@H]([NH2+]C[*:1])c1ccc2OCCOc2c1
CCn1nc(C)c(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1C Clc1ccccc1[*:1] CCn1nc(C)c(CNC(=O)[C@@H]2C[C@H]2[*:1])c1C
[NH3+]CC/C=C/Cc1c(Cl)cccc1Cl [NH3+]CC[*:1] Clc1cccc(Cl)c1CC=C[*:1]
Cc1ccc(CNC(=O)c2noc(C)c2CN2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(CNC(=O)c2noc(C)c2C[*:1])o1
Cc1ccc(CNC(=O)c2noc(C)c2CN2CCOCC2)o1 Cc1ccc(o1)[*:1] Cc1onc(C(=O)NC[*:1])c1CN1CCOCC1
Cc1ccc(CNC(=O)c2noc(C)c2CN2CCOCC2)o1 C1CN(CCO1)C[*:1] Cc1ccc(CNC(=O)c2noc(C)c2[*:1])o1
Cc1ccc(CNC(=O)c2noc(C)c2CN2CCOCC2)o1 Cc1ccc(C[*:1])o1 Cc1onc(C(=O)N[*:1])c1CN1CCOCC1
C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)Oc1cccc(F)c1 Fc1cccc(c1)O[*:1] C[C@@H](CNc1ccc(cc1C#N)S(N)(=O)=O)[*:1]
C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)Oc1cccc(F)c1 NS(=O)(=O)[*:1] C[C@@H](CNc1ccc(cc1C#N)[*:1])Oc1cccc(F)c1
C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@@H](CNc1ccc(cc1C#N)S(N)(=O)=O)O[*:1]
CC[C@H](C)[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)N1C[C@@](C)([NH2+]C[C@@H]1[*:1])c1ccccc1
CC[C@H](C)[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1[C@@H](C)CC CC[C@H](C)[*:1] CC[C@H](C)[C@H]1C[NH2+][C@](C)(CN1[*:1])c1ccccc1
CC[C@H](C)[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1[C@@H](C)CC c1ccc(cc1)[*:1] CC[C@H](C)[C@H]1C[NH2+][C@@](C)(CN1[C@@H](C)CC)[*:1]
CCS[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)C(C)C CCS[*:1] CC(C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)[*:1]
CCS[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)C(C)C CC(C)[*:1] CCS[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)[*:1]
C[C@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)c2cccs2)o1 c1csc(c1)[*:1] C[C@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)[*:1])o1
CCC[C@@H]1CN(CCc2ccccc2C)[C@H](C(C)C)C[NH2+]1 CCC[*:1] Cc1ccccc1CCN1C[C@H]([NH2+]C[C@H]1C(C)C)[*:1]
CCC[C@@H]1CN(CCc2ccccc2C)[C@H](C(C)C)C[NH2+]1 Cc1ccccc1[*:1] CCC[C@@H]1CN(CC[*:1])[C@@H](C[NH2+]1)C(C)C
CCC[C@@H]1CN(CCc2ccccc2C)[C@H](C(C)C)C[NH2+]1 CC(C)[*:1] CCC[C@@H]1CN(CCc2ccccc2C)[C@H](C[NH2+]1)[*:1]
Cc1c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cnn1-c1ccccn1 c1ccc(nc1)[*:1] Cc1c(cnn1[*:1])C(=O)N1CC[C@](O)(C1)C(F)(F)F
Cc1c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cnn1-c1ccccn1 FC(F)(F)[*:1] Cc1c(cnn1-c1ccccn1)C(=O)N1CC[C@@](O)(C1)[*:1]
Clc1ccc(OCc2nn3c(CN4CCOCC4)nnc3s2)c(Cl)c1 C1CN(CCO1)[*:1] Clc1ccc(OCc2nn3c(C[*:1])nnc3s2)c(Cl)c1
Clc1ccc(OCc2nn3c(CN4CCOCC4)nnc3s2)c(Cl)c1 Clc1ccc(c(Cl)c1)[*:1] C1CN(CCO1)Cc1nnc2sc(CO[*:1])nn12
Clc1ccc(OCc2nn3c(CN4CCOCC4)nnc3s2)c(Cl)c1 C1CN(CCO1)C[*:1] Clc1ccc(OCc2nn3c(nnc3s2)[*:1])c(Cl)c1
CN(C)C(=O)Nc1cccc(CNC(=O)N(CC2CCCCC2)C2CC2)c1 C1CCC(CC1)[*:1] CN(C)C(=O)Nc1cccc(c1)CNC(=O)N(C[*:1])C1CC1
CN(C)C(=O)Nc1cccc(CNC(=O)N(CC2CCCCC2)C2CC2)c1 C1CC1[*:1] CN(C)C(=O)Nc1cccc(c1)CNC(=O)N(CC1CCCCC1)[*:1]
CN(C)C(=O)Nc1cccc(CNC(=O)N(CC2CCCCC2)C2CC2)c1 C1CCC(CC1)C[*:1] CN(C)C(=O)Nc1cccc(c1)CNC(=O)N(C1CC1)[*:1]
CN(C)C(=O)Nc1cccc(CNC(=O)N(CC2CCCCC2)C2CC2)c1 CN(C)C(=O)N[*:1] O=C(NCc1cccc(c1)[*:1])N(CC1CCCCC1)C1CC1
Cc1cc(NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)ccc1Br Cc1cc(ccc1Br)[*:1] Cc1cc2c(cc1S(=O)(=O)N[*:1])n(C)c(=O)c(=O)n2C
Cc1nc(/C=C/C([O-])=N/S(=O)(=O)c2cccnc2)cs1 Cc1nc(cs1)[*:1] O=S(=O)(/N=C(\[O-])C=C[*:1])c1cccnc1
Cc1nc(/C=C/C([O-])=N/S(=O)(=O)c2cccnc2)cs1 c1cncc(c1)[*:1] Cc1nc(/C=C/C([O-])=N/S(=O)(=O)[*:1])cs1
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)c1cnn(-c2ccccc2F)c1 Fc1ccccc1[*:1] C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)c1cnn(c1)[*:1]
CN[C@H](Cc1cc[nH+]c2ccccc12)[C@H]1CN(C)CCO1 CN1CCO[C@H](C1)[*:1] CN[C@H](Cc1cc[nH+]c2ccccc12)[*:1]
Cc1cccc(C(C)(C)O)c1N CC(C)(O)[*:1] Cc1cccc(c1N)[*:1]
Cc1ccc(-n2c(S[C@H](C)C(=O)NC(C)C)nnc2-c2ccccn2)c(C)c1 c1ccc(nc1)[*:1] Cc1ccc(c(C)c1)-n1c(nnc1[*:1])S[C@H](C)C(=O)NC(C)C
Cc1ccc(-n2c(S[C@H](C)C(=O)NC(C)C)nnc2-c2ccccn2)c(C)c1 Cc1ccc(c(C)c1)[*:1] CC(C)NC(=O)[C@@H](C)Sc1nnc(-c2ccccn2)n1[*:1]
Cc1ccc(-n2c(S[C@H](C)C(=O)NC(C)C)nnc2-c2ccccn2)c(C)c1 CC(C)[*:1] Cc1ccc(c(C)c1)-n1c(nnc1-c1ccccn1)S[C@H](C)C(=O)N[*:1]
Cc1ccc(-n2c(S[C@H](C)C(=O)NC(C)C)nnc2-c2ccccn2)c(C)c1 CC(C)NC(=O)[*:1] Cc1ccc(c(C)c1)-n1c(nnc1-c1ccccn1)S[C@H](C)[*:1]
CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccc(C(=O)[O-])cc21 O=C([O-])[*:1] CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccc(cc21)[*:1]
CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccc(C(=O)[O-])cc21 Clc1cccc(c1)[*:1] CN1C(=O)C(=C[*:1])Sc2ccc(cc21)C(=O)[O-]
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 O=Cc1ccc(cc1)O[*:1] Cc1cc(C[*:1])oc1C(=O)N1CC[C@@H](C1)[NH+]1CCCC1
Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 O=Cc1ccc(cc1)[*:1] Cc1cc(CO[*:1])oc1C(=O)N1CC[C@@H](C1)[NH+]1CCCC1
CCn1cc(C[NH+](C(C)C)C2CCC2)cn1 CC(C)[*:1] CCn1cc(cn1)C[NH+](C1CCC1)[*:1]
CCn1cc(C[NH+](C(C)C)C2CCC2)cn1 C1CC(C1)[*:1] CCn1cc(cn1)C[NH+](C(C)C)[*:1]
Cc1ccc(C(=O)[O-])c(Oc2cccc(F)c2C(N)=O)c1 O=C([O-])[*:1] Cc1ccc(c(c1)Oc1cccc(F)c1C(N)=O)[*:1]
Cc1ccc(C(=O)[O-])c(Oc2cccc(F)c2C(N)=O)c1 NC(=O)[*:1] Cc1ccc(C(=O)[O-])c(c1)Oc1cccc(F)c1[*:1]
C[C@@H](NC(=O)Nc1cc(-n2cccc2)ccc1F)[C@H]1CCCO1 c1ccn(c1)[*:1] C[C@@H](NC(=O)Nc1cc(ccc1F)[*:1])[C@H]1CCCO1
C[C@@H](NC(=O)Nc1cc(-n2cccc2)ccc1F)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)Nc1cc(ccc1F)-n1cccc1)[*:1]
CCn1cc(C(=O)OCc2cnc(-c3ccccc3)s2)cn1 CCn1cc(cn1)[*:1] O=C(OCc1cnc(s1)-c1ccccc1)[*:1]
CCn1cc(C(=O)OCc2cnc(-c3ccccc3)s2)cn1 c1ccc(cc1)[*:1] CCn1cc(cn1)C(=O)OCc1cnc(s1)[*:1]
CCN[C@@H](c1cc(C)ccc1F)[C@@](C)(CC)[NH+]1CCCC1 CCN[*:1] CC[C@](C)([C@H](c1cc(C)ccc1F)[*:1])[NH+]1CCCC1
COc1ccccc1-c1nn(C)cc1C(=O)N1CC[C@H](C)[C@@H](O)C1 COc1ccccc1[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)c1cn(C)nc1[*:1]
CCCCC[C@H](C)[NH2+][C@H]1CC[C@H]([NH+](C)C)C1 CCCCC[*:1] C[C@H]([NH2+][C@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
CCCCC[C@H](C)[NH2+][C@H]1CC[C@H]([NH+](C)C)C1 CCC[*:1] C[C@@H](CC[*:1])[NH2+][C@H]1CC[C@@H](C1)[NH+](C)C
CCCCC[C@H](C)[NH2+][C@H]1CC[C@H]([NH+](C)C)C1 CCCC[*:1] C[C@@H](C[*:1])[NH2+][C@H]1CC[C@@H](C1)[NH+](C)C
Cc1ccc(C[NH2+][C@@H](C)CCN2CCOCC2)nc1 C1CN(CCO1)[*:1] Cc1ccc(C[NH2+][C@@H](C)CC[*:1])nc1
C#CCN1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)CC1 COCCC[*:1] C#CCN1CCN(CC1)C(=O)NC1CC[NH+](CC1)[*:1]
C#CCN1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)CC1 C#CC[*:1] COCCC[NH+]1CCC(CC1)NC(=O)N1CCN(CC1)[*:1]
C#CCN1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)CC1 COC[*:1] C#CCN1CCN(CC1)C(=O)NC1CC[NH+](CC1)CC[*:1]
C#CCN1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)CC1 COCC[*:1] C#CCN1CCN(CC1)C(=O)NC1CC[NH+](CC1)C[*:1]
CCCC[C@@H](COC)NC(=O)Nc1cnn(C)c1 Cn1cc(cn1)[*:1] CCCC[C@@H](COC)NC(=O)N[*:1]
CCCC[C@@H](COC)NC(=O)Nc1cnn(C)c1 COC[*:1] CCCC[C@@H](NC(=O)Nc1cnn(C)c1)[*:1]
CCCC[C@@H](COC)NC(=O)Nc1cnn(C)c1 CCCC[*:1] COC[C@@H](NC(=O)Nc1cnn(C)c1)[*:1]
CCCC[C@@H](COC)NC(=O)Nc1cnn(C)c1 CCC[*:1] COC[C@H](C[*:1])NC(=O)Nc1cnn(C)c1
Cc1cccc(NC(=O)CS[C@@H]2N=C3C(=O)N=CN=C3N2C)c1 Cc1cccc(c1)[*:1] CN1C2=NC=NC(=O)C2=N[C@H]1SCC(=O)N[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)[C@H](C)[NH2+]C[*:1]
CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2)c1 CC(=O)N[*:1] C[C@H]([NH2+]Cc1ccccc1)c1cccc(c1)[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(Br)c3)o2)cc1 Brc1cccc(c1)[*:1] CN(C)S(=O)(=O)c1ccc(cc1)NC(=O)CSc1nnc(o1)[*:1]
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(Br)c3)o2)cc1 CN(C)S(=O)(=O)[*:1] O=C(CSc1nnc(o1)-c1cccc(Br)c1)Nc1ccc(cc1)[*:1]
CCCNc1nnc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)s1 CCCN[*:1] C[C@H](Sc1nnc(s1)[*:1])C(=O)N1c2ccccc2NC(=O)C1(C)C
CCCNc1nnc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)s1 CCC[*:1] C[C@H](Sc1nnc(N[*:1])s1)C(=O)N1c2ccccc2NC(=O)C1(C)C
CCCNc1nnc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)s1 CCCNc1nnc(s1)[*:1] C[C@H](S[*:1])C(=O)N1c2ccccc2NC(=O)C1(C)C
Cc1nc(CSc2nc(NC3CC3)c3ccccc3n2)no1 Cc1nc(C[*:1])no1 c1ccc2c(nc(nc2c1)S[*:1])NC1CC1
Cc1nc(CSc2nc(NC3CC3)c3ccccc3n2)no1 C1CC1[*:1] Cc1nc(CSc2nc(N[*:1])c3ccccc3n2)no1
Cc1nc(CSc2nc(NC3CC3)c3ccccc3n2)no1 C1CC1N[*:1] Cc1nc(CSc2nc(c3ccccc3n2)[*:1])no1
Cc1nc(CSc2nc(NC3CC3)c3ccccc3n2)no1 Cc1nc(no1)[*:1] c1ccc2c(nc(nc2c1)SC[*:1])NC1CC1
CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc(-c3nc4ccccc4s3)cc2)C1 CCOC(=O)[*:1] O=C(COc1ccc(cc1)-c1nc2ccccc2s1)N1CCC[C@H](C1)[*:1]
CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc(-c3nc4ccccc4s3)cc2)C1 c1ccc2sc(nc2c1)[*:1] CCOC(=O)[C@@H]1CCCN(C1)C(=O)COc1ccc(cc1)[*:1]
Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(c2nncn2C)CC1 Cn1cnnc1[*:1] Cc1nn(cc1C[NH+]1CCC(CC1)[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(c2nncn2C)CC1 c1ccc(cc1)[*:1] Cc1nn(cc1C[NH+]1CCC(CC1)c1nncn1C)[*:1]
Cc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1nnc(/C=C/c2ccccc2)o1 C(=C[*:1])c1ccccc1 Cc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1nnc(o1)[*:1]
Cc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1nnc(/C=C/c2ccccc2)o1 c1ccc(cc1)[*:1] Cc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1nnc(C=C[*:1])o1
CCc1ncc(CN(C)C(=O)c2ccc(OC(C)(C)C)cc2)s1 CCc1ncc(s1)[*:1] CN(C[*:1])C(=O)c1ccc(cc1)OC(C)(C)C
CCc1ncc(CN(C)C(=O)c2ccc(OC(C)(C)C)cc2)s1 CC(C)(C)O[*:1] CCc1ncc(CN(C)C(=O)c2ccc(cc2)[*:1])s1
CCc1ncc(CN(C)C(=O)c2ccc(OC(C)(C)C)cc2)s1 CC(C)(C)[*:1] CCc1ncc(CN(C)C(=O)c2ccc(cc2)O[*:1])s1
CC[C@H](NC(=O)c1ccnc(C(=O)OC)c1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)c1ccnc(c1)C(=O)OC)[*:1]
CC[C@H](NC(=O)c1ccnc(C(=O)OC)c1)c1c(C)nn(C)c1C COC(=O)[*:1] CC[C@H](NC(=O)c1ccnc(c1)[*:1])c1c(C)nn(C)c1C
O=C(NC1CCC(O)CC1)N1CC=C(c2cccc3ccccc23)CC1 OC1CCC(CC1)[*:1] O=C(N[*:1])N1CC=C(CC1)c1cccc2ccccc12
Cc1ccc(-n2c(C3CCN(S(=O)(=O)c4ccccc4)CC3)n[nH]c2=S)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)-n1c(n[nH]c1=S)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(-n2c(C3CCN(S(=O)(=O)c4ccccc4)CC3)n[nH]c2=S)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(c1ccccc1)N1CCC(CC1)c1n[nH]c(=S)n1[*:1]
NNc1nc(Cl)nc2c(-c3ccccc3)c[nH]c12 c1ccc(cc1)[*:1] NNc1nc(Cl)nc2c(c[nH]c12)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 O=c1[nH]c(nc2ccccc12)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N(C[*:1])C(C)C
Cc1noc(C)c1COc1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 CC(C)[*:1] Cc1noc(C)c1COc1ccc(cc1)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 Cc1noc(C)c1[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(cc1)OC[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 Cc1noc(C)c1CO[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1COc1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 Cc1noc(C)c1C[*:1] CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(cc1)O[*:1]
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(C(N)=O)cc1 NC(=O)[*:1] CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(cc1)[*:1]
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(C(N)=O)cc1 CC(C)(C)[*:1] NC(=O)c1ccc(cc1)C(=O)NC[C@H]1CCCO[C@@H]1[*:1]
COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 Cc1ccc(cc1C)[*:1] COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)[C@H]2C(=O)N(C(=O)[C@@H]12)[*:1]
COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 Cc1ccc(cc1)[*:1] COc1ccccc1[C@@H]1NN(C(=O)[*:1])[C@H]2C(=O)N(C(=O)[C@@H]12)c1ccc(C)c(C)c1
COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 COc1ccccc1[*:1] Cc1ccc(cc1)C(=O)N1N[C@H]([C@@H]2C(=O)N(C(=O)[C@@H]21)c1ccc(C)c(C)c1)[*:1]
COCC[NH+]1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 COCC[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC[NH+](CC1)[*:1]
COCC[NH+]1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 CS(=O)(=O)[*:1] COCC[NH+]1CCCN(CC1)C(=O)c1ccc(cc1)[*:1]
COCC[NH+]1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 COC[*:1] CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC[NH+](CC1)C[*:1]
CCCn1cc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cn1 CCC[*:1] Cn1c(Nc2cnn(c2)[*:1])c(C#N)c(=O)n(C)c1=O
COc1ccc(-c2cnn3c2NC(=O)[C@H]3CC(=O)Nc2ccccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2c(cnn21)[*:1]
COc1ccc(-c2cnn3c2NC(=O)[C@H]3CC(=O)Nc2ccccc2C)cc1 Cc1ccccc1[*:1] COc1ccc(cc1)-c1cnn2c1NC(=O)[C@H]2CC(=O)N[*:1]
[NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)O1 c1csc(n1)[*:1] [NH3+]C[C@@H]1CC[C@H](O1)C(=O)Nc1ccc(cc1)[*:1]
O=C1CC[C@H](C(=O)N2CCCSC[C@H]2C[NH+]2CCCCC2)N1 O=C1CC[C@H](N1)[*:1] O=C(N1CCCSC[C@H]1C[NH+]1CCCCC1)[*:1]
O=C(N[C@H]1CCSc2ccccc21)c1cccc(S(=O)(=O)NCc2ccco2)c1 c1coc(c1)C[*:1] O=C(N[C@H]1CCSc2ccccc21)c1cccc(c1)S(=O)(=O)N[*:1]
O=C(N[C@H]1CCSc2ccccc21)c1cccc(S(=O)(=O)NCc2ccco2)c1 c1coc(c1)[*:1] O=C(N[C@H]1CCSc2ccccc21)c1cccc(c1)S(=O)(=O)NC[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1ccccn1 c1ccc(C[*:1])nc1 CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)C[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1ccccn1 Fc1ccc(cc1)C[*:1] CC(C)[C@@H](NC(=O)N(C)Cc1ccccn1)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1ccccn1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](C[*:1])NC(=O)N(C)Cc1ccccn1
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)Cc1ccccn1 CC(C)[*:1] CN(Cc1ccccn1)C(=O)N[C@H](Cc1ccc(F)cc1)[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCc1cccc(F)c1 Fc1cccc(c1)[*:1] COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CC[*:1]
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCc1cccc(F)c1 COC(=O)[*:1] O=C(CCc1cccc(F)c1)N[C@H]1CCCCC[C@@H]1[*:1]
CC(C)Sc1ccc(CC(=O)Nc2cccc(Br)c2)cc1 CC(C)S[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1cccc(Br)c1
CC(C)Sc1ccc(CC(=O)Nc2cccc(Br)c2)cc1 Brc1cccc(c1)[*:1] CC(C)Sc1ccc(cc1)CC(=O)N[*:1]
CC(C)Sc1ccc(CC(=O)Nc2cccc(Br)c2)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)S[*:1])Nc1cccc(Br)c1
Cc1ccc(OCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1C Cc1ccc(cc1C)[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(cc1)CO[*:1]
CCOCCC[NH2+][C@@H]1CCCCC1(C)C CCOC[*:1] CC1(C)CCCC[C@H]1[NH2+]CC[*:1]
CCOCCC[NH2+][C@@H]1CCCCC1(C)C CCO[*:1] CC1(C)CCCC[C@H]1[NH2+]CCC[*:1]
CCOCCC[NH2+][C@@H]1CCCCC1(C)C CCOCC[*:1] CC1(C)CCCC[C@H]1[NH2+]C[*:1]
C[C@@H]1CCCCCN1[C@@H](C[NH3+])c1cncn1C1CC1 C1CC1[*:1] C[C@@H]1CCCCCN1[C@@H](C[NH3+])c1cncn1[*:1]
CNC(=O)COc1ccc(NC(=O)Nc2c(C)n[nH]c2C)cc1 CNC(=O)CO[*:1] Cc1n[nH]c(C)c1NC(=O)Nc1ccc(cc1)[*:1]
CNC(=O)COc1ccc(NC(=O)Nc2c(C)n[nH]c2C)cc1 CNC(=O)[*:1] Cc1n[nH]c(C)c1NC(=O)Nc1ccc(cc1)OC[*:1]
CNC(=O)COc1ccc(NC(=O)Nc2c(C)n[nH]c2C)cc1 Cc1n[nH]c(C)c1[*:1] CNC(=O)COc1ccc(cc1)NC(=O)N[*:1]
CNC(=O)COc1ccc(NC(=O)Nc2c(C)n[nH]c2C)cc1 CNC(=O)C[*:1] Cc1n[nH]c(C)c1NC(=O)Nc1ccc(cc1)O[*:1]
[NH3+][C@H]1CCCC[C@H]1Nc1nc2c([N+](=O)[O-])cccc2o1 O=[N+]([O-])[*:1] [NH3+][C@H]1CCCC[C@H]1Nc1nc2c(cccc2o1)[*:1]
COc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1S(=O)(=O)N1CCCC1 Fc1ccc(cc1F)[*:1] COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)Nc1nc(cs1)[*:1]
COc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1
CC(=O)Nc1cc(C(=O)NCCCc2nc3ccccc3s2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)NCCCc1nc2ccccc2s1
Cc1ccc([C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)N2CCOCC2)cc1 c1ccc(cc1)O[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)c1ccc(cc1)[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)N2CCOCC2)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)c1ccc(cc1)Oc1ccccc1)[*:1]
Cc1ccc([C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)N2CCOCC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)[C@@H](CNC(=O)c1ccc(cc1)O[*:1])N1CCOCC1
Cc1ccc([C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)N2CCOCC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])c1ccc(cc1)Oc1ccccc1
NC(=O)c1cccc(NCC(=O)N2CCCCCC2)c1 NC(=O)[*:1] O=C(CNc1cccc(c1)[*:1])N1CCCCCC1
O=C(CN1CCO[C@H](c2ccccc2F)C1)NCc1ccco1 c1coc(c1)[*:1] O=C(CN1CCO[C@@H](C1)c1ccccc1F)NC[*:1]
O=C(CN1CCO[C@H](c2ccccc2F)C1)NCc1ccco1 c1coc(c1)C[*:1] O=C(CN1CCO[C@@H](C1)c1ccccc1F)N[*:1]
O=C(CN1CCO[C@H](c2ccccc2F)C1)NCc1ccco1 Fc1ccccc1[*:1] O=C(CN1CCO[C@H](C1)[*:1])NCc1ccco1
CCONC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 CCONC(=O)[*:1] Cc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)[*:1]
CCONC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 Cc1ccc(cc1C)[*:1] CCONC(=O)c1ccc(cc1)NS(=O)(=O)[*:1]
CC1CCN(c2cc(-n3cnc(C(=O)N4CCN(c5cccc[nH+]5)CC4)c3)ncn2)CC1 CC1CCN(CC1)[*:1] O=C(c1cn(cn1)-c1cc(ncn1)[*:1])N1CCN(CC1)c1cccc[nH+]1
C[C@@H]([C@H](C)C[NH2+]C(C)(C)C)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]([C@H](C)C[NH2+]C(C)(C)C)N(C)C[*:1]
C[C@@H]([C@H](C)C[NH2+]C(C)(C)C)N(C)Cc1ccccc1 CC(C)(C)[*:1] C[C@@H]([C@H](C)C[NH2+][*:1])N(C)Cc1ccccc1
O=C([O-])C[C@@H]([NH2+]Cc1ccccc1)C(=O)/N=c1/[nH]c(-c2ccccc2)cs1 c1ccc(cc1)C[*:1] O=C([O-])C[C@@H]([NH2+][*:1])C(=O)/N=c1/[nH]c(cs1)-c1ccccc1
O=C([O-])C[C@@H]([NH2+]Cc1ccccc1)C(=O)/N=c1/[nH]c(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C([O-])C[C@@H]([NH2+]C[*:1])C(=O)/N=c1/[nH]c(cs1)-c1ccccc1
O=C([O-])C[C@@H]([NH2+]Cc1ccccc1)C(=O)/N=c1/[nH]c(-c2ccccc2)cs1 c1ccc(cc1)C[NH2+][*:1] O=C([O-])C[C@@H](C(=O)/N=c1/[nH]c(cs1)-c1ccccc1)[*:1]
O=C([O-])C[C@@H]([NH2+]Cc1ccccc1)C(=O)/N=c1/[nH]c(-c2ccccc2)cs1 O=C([O-])[*:1] O=C(/N=c1/[nH]c(cs1)-c1ccccc1)[C@@H](C[*:1])[NH2+]Cc1ccccc1
O=C([O-])C[C@@H]([NH2+]Cc1ccccc1)C(=O)/N=c1/[nH]c(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C([O-])C[C@@H]([NH2+]Cc1ccccc1)C(=O)/N=c1/[nH]c(cs1)[*:1]
CC[C@@H]1C(=O)NCCN1C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C C1CCC(CC1)[*:1] CC[C@@H]1C(=O)NCCN1C(=O)/C=C/c1cc(C)n(c1C)[*:1]
CCC[NH+]1CCC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 c1ccc(cc1)[*:1] CCC[NH+]1CCC(CC1)NC(=O)c1ccc(cc1)NC(=O)N[*:1]
Cc1c(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)COC(=O)c2cccc(c2)C(F)(F)F)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C FC(F)(F)[*:1] Cc1c(NC(=O)COC(=O)c2cccc(c2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C FC(F)(F)c1cccc(c1)[*:1] Cc1c(NC(=O)COC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
FC(F)(F)CCc1cccc(Cl)c1 FC(F)(F)[*:1] Clc1cccc(c1)CC[*:1]
CO[C@H]1CCC[C@@H]1OC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 FC(F)(F)[*:1] CO[C@H]1CCC[C@@H]1OC(=O)c1ccc(cc1)-n1ccc(n1)[*:1]
COc1ccc(CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1 COc1ccc(cc1)[*:1] Cc1cc(ccc1NC(=S)NC(=O)C[*:1])[N+](=O)[O-]
COc1ccc(CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1 O=[N+]([O-])[*:1] COc1ccc(cc1)CC(=O)NC(=S)Nc1ccc(cc1C)[*:1]
Cc1noc(C)c1Cc1nc(C2CC2)no1 C1CC1[*:1] Cc1noc(C)c1Cc1nc(no1)[*:1]
Cc1cc(N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(Cl)n1 CC(C)(C)[*:1] Cc1cc(nc(Cl)n1)N(C)[C@H]1CCCN(C1)C(=O)O[*:1]
O=C(NC[C@H]1CCC[C@@H](O)C1)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(NC[C@H]1CCC[C@@H](O)C1)N[*:1]
O=C(c1ccco1)N1CCN(C(=S)NCc2ccco2)CC1 c1coc(c1)C[*:1] O=C(c1ccco1)N1CCN(CC1)C(=S)N[*:1]
O=C(c1ccco1)N1CCN(C(=S)NCc2ccco2)CC1 c1coc(c1)[*:1] O=C(c1ccco1)N1CCN(CC1)C(=S)NC[*:1]
O=C(c1ccco1)N1CCN(C(=S)NCc2ccco2)CC1 c1coc(c1)[*:1] O=C(N1CCN(CC1)C(=S)NCc1ccco1)[*:1]
CC(C)c1ccc([C@H](C)[NH2+]CC(C)(C)N2CCS(=O)CC2)cc1 CC(C)[*:1] C[C@H]([NH2+]CC(C)(C)N1CCS(=O)CC1)c1ccc(cc1)[*:1]
CC(C)c1ccc([C@H](C)[NH2+]CC(C)(C)N2CCS(=O)CC2)cc1 O=S1CCN(CC1)[*:1] CC(C)c1ccc(cc1)[C@H](C)[NH2+]CC(C)(C)[*:1]
C[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1ccncc1 c1cc(ccn1)[*:1] C[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)[*:1]
N#C[C@]1([C@@H](O)C2CCCC2)CCc2ccccc21 C1CCC(C1)[*:1] N#C[C@@]1(CCc2ccccc21)[C@@H](O)[*:1]
CC[C@H](C)CN(CC)C(=[NH2+])C1CCCCC1 CC[C@H](C)[*:1] CCN(C[*:1])C(=[NH2+])C1CCCCC1
CC[C@H](C)CN(CC)C(=[NH2+])C1CCCCC1 CC[C@H](C)C[*:1] CCN(C(=[NH2+])C1CCCCC1)[*:1]
C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@@H](Sc1nnc(-c2ccc(cc2)C(C)(C)C)n1N)C(=O)N[*:1]
C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc(C#N)cc1 CC(C)(C)c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1N)[*:1])C(=O)Nc1ccc(C#N)cc1
C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc(C#N)cc1 CC(C)(C)[*:1] C[C@@H](Sc1nnc(-c2ccc(cc2)[*:1])n1N)C(=O)Nc1ccc(C#N)cc1
Cc1ccc(C(=O)N2CCN(c3cc(Cl)nc(N)n3)CC2)cc1 Cc1ccc(cc1)[*:1] Nc1nc(Cl)cc(n1)N1CCN(CC1)C(=O)[*:1]
CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F)C(=O)OC COC(=O)[*:1] CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(cc1F)OC)[*:1]
CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F)C(=O)OC COc1ccc(c(F)c1)[*:1] CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1[*:1])C(=O)OC
CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F)C(=O)OC CC[C@H](C)[*:1] COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(cc1F)OC)[*:1]
C1CO[C@H](CCC[C@]2(C3CC3)CCC[NH2+]2)C1 C1CO[C@H](C1)[*:1] C1C[NH2+][C@@](C1)(CCC[*:1])C1CC1
C1CO[C@H](CCC[C@]2(C3CC3)CCC[NH2+]2)C1 C1CC1[*:1] C1CO[C@@H](C1)CCC[C@@]1(CCC[NH2+]1)[*:1]
Cc1noc(C)c1CC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 Cc1noc(C)c1[*:1] O=C(C[*:1])NC[C@H](c1ccc(Cl)cc1)n1cccn1
Cc1noc(C)c1CC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 Cc1noc(C)c1C[*:1] O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)[*:1]
Cc1noc(C)c1CC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 Clc1ccc(cc1)[*:1] Cc1noc(C)c1CC(=O)NC[C@H](n1cccn1)[*:1]
Cc1noc(C)c1CC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 c1cnn(c1)[*:1] Cc1noc(C)c1CC(=O)NC[C@H](c1ccc(Cl)cc1)[*:1]
CCNc1ncc(C[NH+](CC(C)C)C(C)C)s1 CC(C)[*:1] CCNc1ncc(C[NH+](C[*:1])C(C)C)s1
CCNc1ncc(C[NH+](CC(C)C)C(C)C)s1 CCN[*:1] CC(C)C[NH+](Cc1cnc(s1)[*:1])C(C)C
CCNc1ncc(C[NH+](CC(C)C)C(C)C)s1 CC(C)[*:1] CCNc1ncc(C[NH+](CC(C)C)[*:1])s1
CCNc1ncc(C[NH+](CC(C)C)C(C)C)s1 CC(C)C[*:1] CCNc1ncc(C[NH+](C(C)C)[*:1])s1
CCOc1ccc([N+](=O)[O-])c(F)c1 CCO[*:1] O=[N+]([O-])c1ccc(cc1F)[*:1]
CCOc1ccc([N+](=O)[O-])c(F)c1 O=[N+]([O-])[*:1] CCOc1ccc(c(F)c1)[*:1]
O=C(Nc1ccc2c(c1)COC2)N1C[C@@H]2CCCC[C@@]21c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2COCc2c1)N1C[C@@H]2CCCC[C@@]21[*:1]
COCCCOc1cccc(NC(=O)N2CCCC[C@@H]2CO)c1 COCCC[*:1] O=C(Nc1cccc(c1)O[*:1])N1CCCC[C@@H]1CO
COCCCOc1cccc(NC(=O)N2CCCC[C@@H]2CO)c1 COCC[*:1] O=C(Nc1cccc(c1)OC[*:1])N1CCCC[C@@H]1CO
COCCCOc1cccc(NC(=O)N2CCCC[C@@H]2CO)c1 COCCCO[*:1] O=C(Nc1cccc(c1)[*:1])N1CCCC[C@@H]1CO
COCCCOc1cccc(NC(=O)N2CCCC[C@@H]2CO)c1 COC[*:1] O=C(Nc1cccc(c1)OCC[*:1])N1CCCC[C@@H]1CO
CC(C)NC(=O)COC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 CC(C)NC(=O)[*:1] O=C(OC[*:1])c1cc(nc2ccc(Cl)cc12)C1CC1
CC(C)NC(=O)COC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 CC(C)NC(=O)C[*:1] O=C(O[*:1])c1cc(nc2ccc(Cl)cc12)C1CC1
CC(C)NC(=O)COC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 C1CC1[*:1] CC(C)NC(=O)COC(=O)c1cc(nc2ccc(Cl)cc12)[*:1]
CC(C)NC(=O)COC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 CC(C)[*:1] O=C(COC(=O)c1cc(nc2ccc(Cl)cc12)C1CC1)N[*:1]
CS(=O)(=O)c1ccc(-n2c(N)nc3cnccc32)cc1 CS(=O)(=O)[*:1] Nc1nc2cnccc2n1-c1ccc(cc1)[*:1]
C=C(C)C[N+](C)(C)Cc1cccc2ccccc12 C=C(C)C[*:1] C[N+](C)(Cc1cccc2ccccc12)[*:1]
C=C(C)C[N+](C)(C)Cc1cccc2ccccc12 C=C(C)[*:1] C[N+](C)(Cc1cccc2ccccc12)C[*:1]
Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)nc1 Cc1ccc(nc1)[*:1] Cc1ccc(cc1F)NC(=O)[C@H](C)S[*:1]
COC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)sc2c1CC[C@H](C)C2 COC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1sc2C[C@@H](C)CCc2c1[*:1]
COC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)sc2c1CC[C@H](C)C2 Cc1ccc(cc1)[*:1] COC(=O)c1c(NC(=O)C2CCN(CC2)S(=O)(=O)[*:1])sc2C[C@@H](C)CCc21
CCNc1nc([C@H]2CSCCS2)nc2c1CCCC2 CCN[*:1] C1CCc2c(C1)nc(nc2[*:1])[C@H]1CSCCS1
CC(=O)N1CCC(C(=O)OCc2ccc(Cl)cc2)(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)(C(=O)OCc1ccc(Cl)cc1)[*:1]
CC(=O)N1CCC(C(=O)OCc2ccc(Cl)cc2)(c2ccccc2)CC1 Clc1ccc(cc1)[*:1] CC(=O)N1CCC(CC1)(C(=O)OC[*:1])c1ccccc1
CC(=O)N1CCC(C(=O)OCc2ccc(Cl)cc2)(c2ccccc2)CC1 Clc1ccc(cc1)C[*:1] CC(=O)N1CCC(CC1)(C(=O)O[*:1])c1ccccc1
CCn1c(SCC(=O)NC2(C)Cc3ccccc3C2)nnc1-c1cccs1 c1csc(c1)[*:1] CCn1c(nnc1[*:1])SCC(=O)NC1(C)Cc2ccccc2C1
Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 Cc1noc(C)c1[*:1] C[C@H](NC(=O)[C@@H](C)N1CCN(CC1)S(=O)(=O)[*:1])c1ccccc1
Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[C@H](C)C(=O)N[C@@H](C)[*:1]
Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 C[C@@H](c1ccccc1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)[C@H](C)C(=O)N[*:1]
Cc1ccccc1COC1CCN(C(=O)Cn2c(C)c(C)sc2=O)CC1 Cc1ccccc1[*:1] Cc1sc(=O)n(CC(=O)N2CCC(CC2)OC[*:1])c1C
Cc1ccccc1COC1CCN(C(=O)Cn2c(C)c(C)sc2=O)CC1 Cc1ccccc1C[*:1] Cc1sc(=O)n(CC(=O)N2CCC(CC2)O[*:1])c1C
Cc1ccccc1COC1CCN(C(=O)Cn2c(C)c(C)sc2=O)CC1 Cc1sc(=O)n(c1C)[*:1] Cc1ccccc1COC1CCN(CC1)C(=O)C[*:1]
CC/[NH+]=C(/NCc1sc(C)nc1C)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 Cc1nc(C)c(C[*:1])s1 CC/[NH+]=C(\N[C@@H]1C[C@H](C)N(C1)c1ccccc1)N[*:1]
CC/[NH+]=C(/NCc1sc(C)nc1C)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 Cc1nc(C)c(s1)[*:1] CC/[NH+]=C(/NC[*:1])N[C@@H]1C[C@H](C)N(C1)c1ccccc1
CC/[NH+]=C(/NCc1sc(C)nc1C)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 c1ccc(cc1)[*:1] CC/[NH+]=C(/NCc1sc(C)nc1C)N[C@@H]1C[C@H](C)N(C1)[*:1]
C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)Nc1ccccc1 CC(C)(C)[*:1] C[C@@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1])Nc1ccccc1
C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)C)N[*:1]
C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)Nc1ccccc1 c1ccc(cc1)N[*:1] C[C@@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)C)[*:1]
Cc1ccncc1NC(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 Cc1ccncc1[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)N[*:1]
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1ccc(OC)c(c1)S(=O)(=O)N1CCC[C@H]1[*:1]
CCOc1ccccc1NC(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 O=C1CCCN1[*:1] CCOc1ccccc1NC(=O)Nc1ccc(OC)c(c1)[*:1]
CCOc1ccccc1NC(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 CCO[*:1] COc1ccc(cc1N1CCCC1=O)NC(=O)Nc1ccccc1[*:1]
CCOc1ccccc1NC(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 CCOc1ccccc1[*:1] COc1ccc(cc1N1CCCC1=O)NC(=O)N[*:1]
C#CCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1Br Oc1ccc(cc1)[*:1] C#CCOc1ccc(/C=N/NC(=O)[*:1])cc1Br
C#CCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1Br C#CCO[*:1] O=C(N/N=C/c1ccc(c(Br)c1)[*:1])c1ccc(O)cc1
C#CCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1Br C#CC[*:1] O=C(N/N=C/c1ccc(O[*:1])c(Br)c1)c1ccc(O)cc1
Cc1ccsc1CNC(=O)NCC(C)(C)N1CCOCC1 Cc1ccsc1C[*:1] CC(C)(CNC(=O)N[*:1])N1CCOCC1
Cc1ccsc1CNC(=O)NCC(C)(C)N1CCOCC1 Cc1ccsc1[*:1] CC(C)(CNC(=O)NC[*:1])N1CCOCC1
Cc1ccsc1CNC(=O)NCC(C)(C)N1CCOCC1 C1CN(CCO1)[*:1] Cc1ccsc1CNC(=O)NCC(C)(C)[*:1]
Cc1cc(Br)ccc1NC(=O)NCc1ncoc1C Cc1ocnc1[*:1] Cc1cc(Br)ccc1NC(=O)NC[*:1]
COc1ccccc1[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 COc1ccccc1[*:1] O=[N+]([O-])c1ccc(c2ccncc12)N1CC[C@H](C1)[*:1]
COc1ccccc1[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 O=[N+]([O-])[*:1] COc1ccccc1[C@@H]1CCN(C1)c1ccc(c2cnccc12)[*:1]
Cc1noc(C2CCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccnc3)CC2)n1 c1cncc(c1)[*:1] Cc1noc(n1)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1[*:1]
Cc1noc(C2CCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccnc3)CC2)n1 Cc1noc(n1)[*:1] CN1C(=O)C[C@H](C(=O)N2CCC(CC2)[*:1])[C@@H]1c1cccnc1
O=C(c1ccc(NC2CC2)nc1)N1CC[C@H](c2ccccc2)C1 C1CC1[*:1] O=C(c1ccc(nc1)N[*:1])N1CC[C@@H](C1)c1ccccc1
O=C(c1ccc(NC2CC2)nc1)N1CC[C@H](c2ccccc2)C1 C1CC1N[*:1] O=C(c1ccc(nc1)[*:1])N1CC[C@@H](C1)c1ccccc1
O=C(c1ccc(NC2CC2)nc1)N1CC[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(c1ccc(nc1)NC1CC1)N1CC[C@H](C1)[*:1]
Cc1c(C(=O)NC[C@@H]2Cc3ccccc32)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)NC[C@@H]1Cc2ccccc21
COCC(=O)N[C@@H](c1cccs1)C(C)C CC(C)[*:1] COCC(=O)N[C@@H](c1cccs1)[*:1]
COCC(=O)N[C@@H](c1cccs1)C(C)C COC[*:1] CC(C)[C@@H](NC(=O)[*:1])c1cccs1
COCC(=O)N[C@@H](c1cccs1)C(C)C c1csc(c1)[*:1] COCC(=O)N[C@@H](C(C)C)[*:1]
CCCc1ccc(OCC(=O)N(C)Cc2cnn(C)c2)cc1 CCC[*:1] CN(Cc1cnn(C)c1)C(=O)COc1ccc(cc1)[*:1]
CCCc1ccc(OCC(=O)N(C)Cc2cnn(C)c2)cc1 Cn1cc(cn1)[*:1] CCCc1ccc(cc1)OCC(=O)N(C)C[*:1]
CCCc1ccc(OCC(=O)N(C)Cc2cnn(C)c2)cc1 Cn1cc(cn1)C[*:1] CCCc1ccc(cc1)OCC(=O)N(C)[*:1]
COc1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@@]23C(=O)Nc2ccccc23)cc1 COc1ccc(cc1)[*:1] C[C@@H](O)[C@H]1C[C@@H](C(=O)N[*:1])[C@@]2([NH2+]1)C(=O)Nc1ccccc12
O=C(Nc1nnc(SCc2ccccc2)s1)c1ccco1 c1coc(c1)[*:1] O=C(Nc1nnc(SCc2ccccc2)s1)[*:1]
O=C(Nc1nnc(SCc2ccccc2)s1)c1ccco1 c1ccc(cc1)C[*:1] O=C(Nc1nnc(S[*:1])s1)c1ccco1
O=C(Nc1nnc(SCc2ccccc2)s1)c1ccco1 c1ccc(cc1)[*:1] O=C(Nc1nnc(SC[*:1])s1)c1ccco1
COc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)NCc4ccco4)C3)s2)cc1 COc1ccc(cc1)[*:1] O=C(N[*:1])c1nnc(s1)C(=O)N1CCC[C@@H](C1)C(=O)NCc1ccco1
COc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)NCc4ccco4)C3)s2)cc1 O=C(NCc1ccco1)[*:1] COc1ccc(cc1)NC(=O)c1nnc(s1)C(=O)N1CCC[C@H](C1)[*:1]
COc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)NCc4ccco4)C3)s2)cc1 COc1ccc(cc1)NC(=O)[*:1] O=C(NCc1ccco1)[C@H]1CCCN(C1)C(=O)c1nnc(s1)[*:1]
COc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)NCc4ccco4)C3)s2)cc1 c1coc(c1)C[*:1] COc1ccc(cc1)NC(=O)c1nnc(s1)C(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)NCc4ccco4)C3)s2)cc1 c1coc(c1)[*:1] COc1ccc(cc1)NC(=O)c1nnc(s1)C(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
C[C@H](C(=O)NC1CCCCC1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 O=C(NC1CCCCC1)[*:1] C[C@H](N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)[*:1]
C[C@H](C(=O)NC1CCCCC1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 C1CCC(CC1)[*:1] C[C@H](C(=O)N[*:1])N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2
N#C[C@@H](COC(=O)[C@@H]1CCCOC1)Cc1ccccc1 C1COC[C@@H](C1)[*:1] N#C[C@@H](COC(=O)[*:1])Cc1ccccc1
N#C[C@@H](COC(=O)[C@@H]1CCCOC1)Cc1ccccc1 c1ccc(cc1)[*:1] N#C[C@@H](COC(=O)[C@@H]1CCCOC1)C[*:1]
COc1ccccc1/C=C1/SC(=O)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O COc1ccccc1[*:1] O=C(CCN1C(=O)SC(=C[*:1])C1=O)N[C@H]1C=CS(=O)(=O)C1
CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)NC(=O)OC(C)(C)C Fc1ccc(c(F)c1)[*:1] CC(C)(CNC(=O)[C@@H]1C[C@@H]1[*:1])NC(=O)OC(C)(C)C
CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)NC(=O)O[*:1]
CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)NC(=O)OC(C)(C)C CC(C)(C)OC(=O)N[*:1] CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)[*:1]
CCO[C@H](C)c1nc(CN2CCN(Cc3cnc4ncccn34)CC2)cs1 CCO[*:1] C[C@H](c1nc(cs1)CN1CCN(CC1)Cc1cnc2ncccn12)[*:1]
CCO[C@H](C)c1nc(CN2CCN(Cc3cnc4ncccn34)CC2)cs1 c1cnc2ncc(n2c1)[*:1] CCO[C@H](C)c1nc(cs1)CN1CCN(CC1)C[*:1]
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@H](C)CC1CCCC1 C1CCC(C1)C[*:1] Cc1ccc(cc1NC(=O)[C@H](C)[*:1])C(=O)N1CCOCC1
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@H](C)CC1CCCC1 O=C(N1CCOCC1)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)CC1CCCC1)[*:1]
Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@H](C)CC1CCCC1 C1CCC(C1)[*:1] Cc1ccc(cc1NC(=O)[C@H](C)C[*:1])C(=O)N1CCOCC1
O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H](Br)c2ccccc2)cc1 O=[N+]([O-])[*:1] O=S(=O)(C[C@H](Br)c1ccccc1)c1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H](Br)c2ccccc2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)S(=O)(=O)C[C@H](Br)[*:1]
CCC(=O)Nc1cccc(NC(=O)N2CCC(CCc3ccccc3)CC2)c1 c1ccc(cc1)[*:1] CCC(=O)Nc1cccc(c1)NC(=O)N1CCC(CC1)CC[*:1]
CCC(=O)Nc1cccc(NC(=O)N2CCC(CCc3ccccc3)CC2)c1 c1ccc(cc1)CC[*:1] CCC(=O)Nc1cccc(c1)NC(=O)N1CCC(CC1)[*:1]
CCC(=O)Nc1cccc(NC(=O)N2CCC(CCc3ccccc3)CC2)c1 CCC(=O)N[*:1] O=C(Nc1cccc(c1)[*:1])N1CCC(CCc2ccccc2)CC1
CCC(=O)Nc1cccc(NC(=O)N2CCC(CCc3ccccc3)CC2)c1 c1ccc(cc1)C[*:1] CCC(=O)Nc1cccc(c1)NC(=O)N1CCC(CC1)C[*:1]
Cc1ccc(C)c(S(=O)(=O)N2C(=S)NC(=O)[C@H]2Cc2ccccc2)c1 c1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1C(=S)NC(=O)[C@H]1C[*:1]
Cc1ccc(C)c(S(=O)(=O)N2C(=S)NC(=O)[C@H]2Cc2ccccc2)c1 Cc1ccc(C)c(c1)[*:1] O=C1NC(=S)N([C@@H]1Cc1ccccc1)S(=O)(=O)[*:1]
Cc1ccc(C)c(S(=O)(=O)N2C(=S)NC(=O)[C@H]2Cc2ccccc2)c1 c1ccc(cc1)C[*:1] Cc1ccc(C)c(c1)S(=O)(=O)N1C(=S)NC(=O)[C@@H]1[*:1]
O=C(CCNC(=O)N1CCC[C@H]1c1ccc(F)cc1)N1CCCCC1 Fc1ccc(cc1)[*:1] O=C(CCNC(=O)N1CCC[C@@H]1[*:1])N1CCCCC1
O=C(CCNC(=O)N1CCC[C@H]1c1ccc(F)cc1)N1CCCCC1 O=C(N1CCCCC1)[*:1] O=C(NCC[*:1])N1CCC[C@H]1c1ccc(F)cc1
CCOc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C CCO[*:1] CC(C)C(=O)N1N=C(C[C@@H]1c1ccccc1[*:1])c1ccccc1NS(C)(=O)=O
CCOc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C CCOc1ccccc1[*:1] CC(C)C(=O)N1N=C(C[C@@H]1[*:1])c1ccccc1NS(C)(=O)=O
CCOc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C CC(C)[*:1] CCOc1ccccc1[C@H]1CC(=NN1C(=O)[*:1])c1ccccc1NS(C)(=O)=O
CCOc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C CS(=O)(=O)N[*:1] CCOc1ccccc1[C@H]1CC(=NN1C(=O)C(C)C)c1ccccc1[*:1]
CCn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3cccc(C(F)(F)F)c3)c2n1 FC(F)(F)[*:1] CCn1cc2c(cc(=O)n(CCC(=O)Nc3cccc(c3)[*:1])c2n1)C(F)F
CCn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3cccc(C(F)(F)F)c3)c2n1 FC(F)(F)c1cccc(c1)[*:1] CCn1cc2c(cc(=O)n(CCC(=O)N[*:1])c2n1)C(F)F
CCn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3cccc(C(F)(F)F)c3)c2n1 FC(F)[*:1] CCn1cc2c(cc(=O)n(CCC(=O)Nc3cccc(c3)C(F)(F)F)c2n1)[*:1]
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Nc2cccc(Cl)c2)C1 Clc1cccc(c1)[*:1] CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)N[*:1])C1
CCOC(=O)c1cccc(NC(=O)Cn2ccc3c(=O)n(C)ccc32)c1 CCOC(=O)[*:1] Cn1ccc2c(ccn2CC(=O)Nc2cccc(c2)[*:1])c1=O
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2C)o1 C[C@@H]1CCC[C@H]1[*:1] Cc1ccc(o1)C(=O)NNC(=O)N[*:1]
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCC[C@H]2C)o1 Cc1ccc(o1)[*:1] C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)[*:1]
O=C(CNC(=O)Nc1cccc(Cl)c1-n1cccn1)NCCc1ccccc1 c1cnn(c1)[*:1] O=C(CNC(=O)Nc1cccc(Cl)c1[*:1])NCCc1ccccc1
O=C(CNC(=O)Nc1cccc(Cl)c1-n1cccn1)NCCc1ccccc1 c1ccc(cc1)CC[*:1] O=C(CNC(=O)Nc1cccc(Cl)c1-n1cccn1)N[*:1]
O=C(CNC(=O)Nc1cccc(Cl)c1-n1cccn1)NCCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CNC(=O)Nc1cccc(Cl)c1-n1cccn1)NC[*:1]
O=C(CNC(=O)Nc1cccc(Cl)c1-n1cccn1)NCCc1ccccc1 c1ccc(cc1)[*:1] O=C(CNC(=O)Nc1cccc(Cl)c1-n1cccn1)NCC[*:1]
CC(C)(C)CC[C@@H](CBr)c1ccccc1F CC(C)(C)C[*:1] Fc1ccccc1[C@H](CBr)C[*:1]
CC(C)(C)CC[C@@H](CBr)c1ccccc1F CC(C)(C)[*:1] Fc1ccccc1[C@H](CBr)CC[*:1]
CN(C(=O)c1cc(C#N)cs1)C1CCN(c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CN(C(=O)c1cc(C#N)cs1)C1CCN(CC1)[*:1]
CN(C(=O)c1cc(C#N)cs1)C1CCN(c2ccc(F)cc2)CC1 N#Cc1csc(c1)[*:1] CN(C(=O)[*:1])C1CCN(CC1)c1ccc(F)cc1
O=C(Nc1c[nH]nc1-c1ccccn1)N[C@@H]1CCCC[C@H]1n1cccn1 c1ccc(nc1)[*:1] O=C(Nc1c[nH]nc1[*:1])N[C@@H]1CCCC[C@H]1n1cccn1
O=C(Nc1c[nH]nc1-c1ccccn1)N[C@@H]1CCCC[C@H]1n1cccn1 c1cnn(c1)[*:1] O=C(Nc1c[nH]nc1-c1ccccn1)N[C@@H]1CCCC[C@@H]1[*:1]
CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1OC Cc1c(Cl)cccc1[*:1] CCNC(=O)c1cc(ccc1OC)S(=O)(=O)N[*:1]
CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1OC CCNC(=O)[*:1] COc1ccc(cc1[*:1])S(=O)(=O)Nc1cccc(Cl)c1C
C#CC[NH+](CC(=O)[O-])CC(=O)Nc1c(Cl)cccc1Cl O=C([O-])[*:1] C#CC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)C[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)c1 CC(=O)N[*:1] O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1cccc(c1)[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)c1 c1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nnc(-c2ccccc2O)n1[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)c1 CC(=O)Nc1cccc(c1)[*:1] O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)N[*:1]
CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)c1 Oc1ccccc1[*:1] CC(=O)Nc1cccc(c1)NC(=O)CSc1nnc(n1-c1ccccc1)[*:1]
CCCc1cc(NC(=O)NCCc2nnc3n2CCCCC3)n(C)n1 CCC[*:1] Cn1nc(cc1NC(=O)NCCc1nnc2CCCCCn21)[*:1]
Cc1cc(C[C@H](C)NCc2cnc(-c3ccc4ccccc4c3)nc2)[nH]n1 Cc1cc([nH]n1)[*:1] C[C@@H](C[*:1])NCc1cnc(nc1)-c1ccc2ccccc2c1
CC[C@@H](C)NC(=O)CN1CCN(c2cccc(C(=O)OC)n2)CC1 CC[C@@H](C)[*:1] COC(=O)c1cccc(n1)N1CCN(CC1)CC(=O)N[*:1]
CC[C@@H](C)NC(=O)CN1CCN(c2cccc(C(=O)OC)n2)CC1 CC[C@@H](C)NC(=O)C[*:1] COC(=O)c1cccc(n1)N1CCN(CC1)[*:1]
CC[C@@H](C)NC(=O)CN1CCN(c2cccc(C(=O)OC)n2)CC1 COC(=O)[*:1] CC[C@@H](C)NC(=O)CN1CCN(CC1)c1cccc(n1)[*:1]
CC[C@@H](C)NC(=O)CN1CCN(c2cccc(C(=O)OC)n2)CC1 CC[C@@H](C)NC(=O)[*:1] COC(=O)c1cccc(n1)N1CCN(CC1)C[*:1]
Nc1cc(F)c(OCc2ccc(C(=O)[O-])cc2)cc1F O=C([O-])[*:1] Nc1cc(F)c(cc1F)OCc1ccc(cc1)[*:1]
Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2 c1cncc(c1)[*:1] Cc1nc([nH]c(=O)c1CC(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2)[*:1]
CC(=O)Nc1cccc(-n2nnnc2SCc2ccc(-c3ccccc3C#N)cc2)c1 N#Cc1ccccc1[*:1] CC(=O)Nc1cccc(c1)-n1nnnc1SCc1ccc(cc1)[*:1]
CC(=O)Nc1cccc(-n2nnnc2SCc2ccc(-c3ccccc3C#N)cc2)c1 CC(=O)Nc1cccc(c1)[*:1] N#Cc1ccccc1-c1ccc(cc1)CSc1nnnn1[*:1]
CC(=O)Nc1cccc(-n2nnnc2SCc2ccc(-c3ccccc3C#N)cc2)c1 CC(=O)N[*:1] N#Cc1ccccc1-c1ccc(cc1)CSc1nnnn1-c1cccc(c1)[*:1]
C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)C[C@@H]1O Fc1cccnc1[*:1] C[C@@H]1CCN(C[C@@H]1O)C(=O)N[C@@H]1CCN(C1)[*:1]
COCc1ccc(Sc2ncccn2)cc1 COC[*:1] c1cnc(nc1)Sc1ccc(cc1)[*:1]
C/C(C=O)=C\c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] C/C(C=O)=C\c1ccc(o1)[*:1]
Cc1cccc(CSc2nc(=O)n3cccc(C)c3n2)c1 Cc1cccc(c1)[*:1] Cc1cccn2c(=O)nc(nc12)SC[*:1]
Cc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)o1 Brc1ccccc1[*:1] Cc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(C2)[*:1])o1
Cc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)o1 Cc1ccc(o1)[*:1] CN(C[*:1])C(=O)[C@H]1CC(=O)N(C1)c1ccccc1Br
Cc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)o1 Cc1ccc(C[*:1])o1 CN(C(=O)[C@H]1CC(=O)N(C1)c1ccccc1Br)[*:1]
CCOC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2Cc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCOC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2C[*:1]
CCOC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2Cc1ccc(Cl)cc1 CCOC(=O)[*:1] Cc1c(sc2c1c(=O)n(C)c(=O)n2Cc1ccc(Cl)cc1)[*:1]
CCOC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2Cc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] CCOC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2[*:1]
CC(C)Oc1cccc(C(=O)[C@H]2C[C@@H]2C)c1 CC(C)O[*:1] C[C@H]1C[C@@H]1C(=O)c1cccc(c1)[*:1]
CC(C)Oc1cccc(C(=O)[C@H]2C[C@@H]2C)c1 CC(C)[*:1] C[C@H]1C[C@@H]1C(=O)c1cccc(c1)O[*:1]
CS(=O)(=O)C[C@H](NC(=O)NC1CCCCCC1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)C[C@H](NC(=O)NC1CCCCCC1)[*:1]
CS(=O)(=O)C[C@H](NC(=O)NC1CCCCCC1)c1ccccc1 CS(=O)(=O)[*:1] O=C(NC1CCCCCC1)N[C@@H](C[*:1])c1ccccc1
CS(=O)(=O)C[C@H](NC(=O)NC1CCCCCC1)c1ccccc1 CS(=O)(=O)C[*:1] O=C(NC1CCCCCC1)N[C@H](c1ccccc1)[*:1]
CS(=O)(=O)C[C@H](NC(=O)NC1CCCCCC1)c1ccccc1 C1CCCC(CC1)[*:1] CS(=O)(=O)C[C@H](NC(=O)N[*:1])c1ccccc1
CCN(C(=O)[C@@H](C)Nc1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 O=S1(=O)CC[C@H](C1)[*:1] CCN(C(=O)[C@@H](C)Nc1ccc(C)c(F)c1)[*:1]
COCCOc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1 COC[*:1] O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc(cc1)OC[*:1]
COCCOc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1 COCCO[*:1] O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc(cc1)[*:1]
COCCOc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1 COCC[*:1] O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc(cc1)O[*:1]
COCc1ccc(CN2CCN(C(=O)CC3CCCCC3)CC2)cc1 C1CCC(CC1)[*:1] COCc1ccc(cc1)CN1CCN(CC1)C(=O)C[*:1]
COCc1ccc(CN2CCN(C(=O)CC3CCCCC3)CC2)cc1 C1CCC(CC1)C[*:1] COCc1ccc(cc1)CN1CCN(CC1)C(=O)[*:1]
COCc1ccc(CN2CCN(C(=O)CC3CCCCC3)CC2)cc1 COC[*:1] O=C(CC1CCCCC1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 c1ccc(cc1)[*:1] O=C(NC1CC1)[C@@H](N1CCN(CC1)c1ccccc1[N+](=O)[O-])[*:1]
O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 O=C(NC1CC1)[*:1] O=[N+]([O-])c1ccccc1N1CCN(CC1)[C@H](c1ccccc1)[*:1]
O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 C1CC1[*:1] O=C(N[*:1])[C@@H](c1ccccc1)N1CCN(CC1)c1ccccc1[N+](=O)[O-]
O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(CC1)[*:1]
O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(CC1)c1ccccc1[*:1]
C[C@H](O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@H](O)CCC(=O)Nc1ccc(cc1)[*:1]
C[C@H](O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 C[C@H](O)[*:1] O=C(CC[*:1])Nc1ccc(cc1)[N+](=O)[O-]
C[C@H](O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 C[C@H](O)C[*:1] O=C(C[*:1])Nc1ccc(cc1)[N+](=O)[O-]
C[C@H](O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 C[C@H](O)CC[*:1] O=C(Nc1ccc(cc1)[N+](=O)[O-])[*:1]
COc1ccc2cc(C(=O)N3CCCC[C@H]3CC(N)=O)[nH]c2c1 NC(=O)C[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CCCC[C@@H]1[*:1]
COc1ccc2cc(C(=O)N3CCCC[C@H]3CC(N)=O)[nH]c2c1 NC(=O)[*:1] COc1ccc2cc([nH]c2c1)C(=O)N1CCCC[C@H]1C[*:1]
O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl)c1ccco1 O=[N+]([O-])[*:1] O=C(Nc1ccc(cc1Cl)NC(=O)c1ccc(o1)[*:1])c1ccco1
O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl)c1ccco1 O=C(N[*:1])c1ccco1 O=C(Nc1ccc(c(Cl)c1)[*:1])c1ccc(o1)[N+](=O)[O-]
O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl)c1ccco1 c1coc(c1)[*:1] O=C(Nc1ccc(NC(=O)[*:1])c(Cl)c1)c1ccc(o1)[N+](=O)[O-]
O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl)c1ccco1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(Nc1ccc(cc1Cl)NC(=O)[*:1])c1ccco1
Cc1c(C(=O)N2CCC[C@H]2C)cnc2c(-c3ccc4c(c3)OCO4)cnn12 C[C@@H]1CCCN1C(=O)[*:1] Cc1c(cnc2c(cnn12)-c1ccc2OCOc2c1)[*:1]
Cc1c(C(=O)N2CCC[C@H]2C)cnc2c(-c3ccc4c(c3)OCO4)cnn12 c1cc2OCOc2cc1[*:1] Cc1c(cnc2c(cnn12)[*:1])C(=O)N1CCC[C@H]1C
CCC[NH+]1CCCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 c1ncn(n1)[*:1] CCC[NH+]1CCCN(CC1)C(=O)c1ccc(cc1)C[*:1]
CCC[NH+]1CCCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 c1ncn(C[*:1])n1 CCC[NH+]1CCCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCC[NH+]1CCCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 CCC[*:1] O=C(c1ccc(cc1)Cn1cncn1)N1CCC[NH+](CC1)[*:1]
Cc1cccc(Nc2ccccc2C(=O)NNC(=O)NC[C@H]2CCCO2)c1C Cc1cccc(N[*:1])c1C O=C(NC[C@H]1CCCO1)NNC(=O)c1ccccc1[*:1]
Cc1cccc(Nc2ccccc2C(=O)NNC(=O)NC[C@H]2CCCO2)c1C Cc1cccc(c1C)[*:1] O=C(NC[C@H]1CCCO1)NNC(=O)c1ccccc1N[*:1]
N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1 FC(F)(F)[*:1] N#C/C(=C\c1ccc(cc1)[*:1])c1nc2ccccc2s1
CC1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CCCC1 CC1(CCCC1)[*:1] O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC[*:1]
CC1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CCCC1 CC1(CCCC1)C[*:1] O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[*:1]
CC1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CCCC1 Clc1ccc(s1)[*:1] CC1(CCCC1)CNC(=O)CNS(=O)(=O)[*:1]
COc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1S(=O)(=O)N1CCCC1 O=S(=O)(N1CCCC1)[*:1] COc1ccc(cc1[*:1])C(=O)N1CC(=O)Nc2ccccc21
Cn1ccc(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)n1 c1cc(ccn1)[*:1] Cn1ccc(n1)C(=O)NCCc1cc2nc(ccn2n1)[*:1]
Cn1ccc(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)n1 Cn1ccc(n1)[*:1] O=C(NCCc1cc2nc(ccn2n1)-c1ccncc1)[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OC[C@H]1CCCO1 Clc1ccccc1[*:1] CC(C)[C@@H](NC(=O)[*:1])C(=O)OC[C@H]1CCCO1
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OC[*:1]
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OC[C@H]1CCCO1 CC(C)[*:1] O=C(N[C@@H](C(=O)OC[C@H]1CCCO1)[*:1])c1ccccc1Cl
Cc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)c2)no1 Cc1cc(no1)NS(=O)(=O)[*:1] O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cccc(c1)[*:1]
Cc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)c2)no1 Clc1cccc(c1)C[*:1] Cc1cc(no1)NS(=O)(=O)c1cccc(c1)C(=O)Nc1ncc(s1)[*:1]
Cc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)c2)no1 Clc1cccc(c1)[*:1] Cc1cc(no1)NS(=O)(=O)c1cccc(c1)C(=O)Nc1ncc(C[*:1])s1
Cc1cc(NS(=O)(=O)c2cccc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)c2)no1 Cc1cc(no1)[*:1] O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cccc(c1)S(=O)(=O)N[*:1]
O=C(CCc1ncc(-c2ccccc2)o1)OCc1nc2ccccc2s1 c1ccc(cc1)[*:1] O=C(CCc1ncc(o1)[*:1])OCc1nc2ccccc2s1
CC(C)C(NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(C)C c1ccc(cc1)[*:1] CC(C)C(NC(=O)C1CC[NH+](CC1)C[*:1])C(C)C
CC(C)C(NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(C)C CC(C)C(C(C)C)[*:1] O=C(N[*:1])C1CC[NH+](CC1)Cc1ccccc1
CC(C)C(NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(C)C CC(C)[*:1] CC(C)C(NC(=O)C1CC[NH+](CC1)Cc1ccccc1)[*:1]
CC(C)C(NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(C)C c1ccc(cc1)C[*:1] CC(C)C(NC(=O)C1CC[NH+](CC1)[*:1])C(C)C
C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 c1ccc(cc1)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)[*:1])c2C(N)=O
C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 NC(=O)[*:1] C[C@H]1CCc2c(C1)sc(NC(=O)c1ccc(cc1)-c1ccccc1)c2[*:1]
CC[C@H](C)Sc1ccc(NC(=O)C(=O)N2CCC[C@@H](COC)C2)c(C)c1 CC[C@H](C)S[*:1] COC[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(cc1C)[*:1]
CC[C@H](C)Sc1ccc(NC(=O)C(=O)N2CCC[C@@H](COC)C2)c(C)c1 COC[*:1] CC[C@H](C)Sc1ccc(NC(=O)C(=O)N2CCC[C@@H](C2)[*:1])c(C)c1
CC[C@H](C)Sc1ccc(NC(=O)C(=O)N2CCC[C@@H](COC)C2)c(C)c1 CC[C@H](C)[*:1] COC[C@@H]1CCCN(C1)C(=O)C(=O)Nc1ccc(cc1C)S[*:1]
O=C1O[C@@H](C(=O)Nc2cccnc2Cl)Cc2ccccc21 Clc1ncccc1[*:1] O=C1O[C@H](Cc2ccccc21)C(=O)N[*:1]
CO[C@H](C)[C@H]([NH3+])Cc1cc(C)cc(C)c1 CO[C@H](C)[*:1] Cc1cc(C)cc(c1)C[C@@H]([NH3+])[*:1]
CC(C)NC(=O)/C(C#N)=C(\[O-])[C@H](C)OCC1CC1 C1CC1[*:1] CC(C)NC(=O)/C(C#N)=C(\[O-])[C@H](C)OC[*:1]
CC(C)NC(=O)/C(C#N)=C(\[O-])[C@H](C)OCC1CC1 C1CC1C[*:1] CC(C)NC(=O)/C(C#N)=C(\[O-])[C@H](C)O[*:1]
CC(C)NC(=O)/C(C#N)=C(\[O-])[C@H](C)OCC1CC1 CC(C)NC(=O)[*:1] C[C@H](OCC1CC1)C([O-])=C(C#N)[*:1]
CC(C)NC(=O)/C(C#N)=C(\[O-])[C@H](C)OCC1CC1 CC(C)[*:1] C[C@H](OCC1CC1)/C([O-])=C(\C#N)C(=O)N[*:1]
CC(C)NC(=O)/C(C#N)=C(\[O-])[C@H](C)OCC1CC1 C1CC1CO[*:1] CC(C)NC(=O)/C(C#N)=C(\[O-])[C@H](C)[*:1]
CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(C)c(C)c1 OCC[*:1] CC[C@@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1)[*:1]
CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(C)c(C)c1 CC[C@@H](CCO)[*:1] Cc1ccc(cc1C)[C@@H](C)[NH2+]C[*:1]
O=C([O-])[C@H]1CCCC[C@@H]1c1nc([C@@H]2CSCCS2)no1 O=C([O-])[*:1] C1CC[C@@H]([C@H](C1)c1nc(no1)[C@@H]1CSCCS1)[*:1]
O=C([O-])[C@H]1CCCC[C@@H]1c1nc([C@@H]2CSCCS2)no1 C1CS[C@@H](CS1)[*:1] O=C([O-])[C@H]1CCCC[C@@H]1c1nc(no1)[*:1]
COCC(=O)N1[C@H]2CC[C@@H]1C[C@@]21CC(=O)c2ccccc2O1 COC[*:1] O=C1C[C@@]2(C[C@H]3CC[C@@H]2N3C(=O)[*:1])Oc2ccccc21
CCn1c(C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)nn(Cc2ccccc2)c1=O c1ccc(cc1)C[*:1] CCn1c(nn(c1=O)[*:1])C1CC[NH+](CC1)Cc1ccc(Cl)cc1Cl
CCn1c(C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)nn(Cc2ccccc2)c1=O c1ccc(cc1)[*:1] CCn1c(nn(C[*:1])c1=O)C1CC[NH+](CC1)Cc1ccc(Cl)cc1Cl
CCn1c(C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)nn(Cc2ccccc2)c1=O Clc1ccc(c(Cl)c1)[*:1] CCn1c(nn(Cc2ccccc2)c1=O)C1CC[NH+](CC1)C[*:1]
CCn1c(C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)nn(Cc2ccccc2)c1=O Clc1ccc(C[*:1])c(Cl)c1 CCn1c(nn(Cc2ccccc2)c1=O)C1CC[NH+](CC1)[*:1]
C[C@@H](Sc1cccc(Br)c1)C(=O)NC(=O)NC1CC1 C1CC1[*:1] C[C@@H](Sc1cccc(Br)c1)C(=O)NC(=O)N[*:1]
Cc1nsc(NC(=O)N2CCC[C@H](Cc3ccc(F)cc3)C2)n1 Fc1ccc(cc1)[*:1] Cc1nsc(n1)NC(=O)N1CCC[C@@H](C1)C[*:1]
Cc1nsc(NC(=O)N2CCC[C@H](Cc3ccc(F)cc3)C2)n1 Cc1nsc(n1)[*:1] O=C(N[*:1])N1CCC[C@H](Cc2ccc(F)cc2)C1
Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)s1 Cc1n[nH]c(C)c1[*:1] Cc1ccc(NC(=O)N2CCCCC[C@H]2[*:1])s1
Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)s1 Cc1ccc(s1)[*:1] Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[*:1]
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 CC(=O)O[*:1] O=C(c1ccc(cc1)[*:1])[C@@H]1[C@H]2C(=O)N(C(=O)[C@@H]2[C@H]2C=CC=NN12)c1ccc(Cl)cc1
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 CC(=O)Oc1ccc(cc1)[*:1] O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1C=CC=NN1[C@@H]2C(=O)[*:1]
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 Clc1ccc(cc1)[*:1] CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1[C@H]2C(=O)N(C(=O)[C@@H]2[C@H]2C=CC=NN12)[*:1]
Fc1ccc(Br)c(C[NH2+]CCCO[C@@H]2CCOC2)c1 C1C[C@H](CO1)O[*:1] Fc1ccc(Br)c(c1)C[NH2+]CCC[*:1]
Fc1ccc(Br)c(C[NH2+]CCCO[C@@H]2CCOC2)c1 C1C[C@H](CO1)[*:1] Fc1ccc(Br)c(c1)C[NH2+]CCCO[*:1]
O=C(N[C@@H](CO)c1ccco1)c1ccccc1SCc1cscn1 c1nc(cs1)CS[*:1] O=C(N[C@@H](CO)c1ccco1)c1ccccc1[*:1]
O=C(N[C@@H](CO)c1ccco1)c1ccccc1SCc1cscn1 c1nc(cs1)[*:1] O=C(N[C@@H](CO)c1ccco1)c1ccccc1SC[*:1]
O=C(N[C@@H](CO)c1ccco1)c1ccccc1SCc1cscn1 c1nc(cs1)C[*:1] O=C(N[C@@H](CO)c1ccco1)c1ccccc1S[*:1]
O=C(N[C@@H](CO)c1ccco1)c1ccccc1SCc1cscn1 c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1ccccc1SCc1cscn1
Cc1cscc1-c1nc(NN)cc(C(C)(C)C)n1 Cc1cscc1[*:1] CC(C)(C)c1cc(nc(n1)[*:1])NN
Cc1cscc1-c1nc(NN)cc(C(C)(C)C)n1 CC(C)(C)[*:1] Cc1cscc1-c1nc(cc(n1)[*:1])NN
Cc1ccc(NCC(=O)N2CCC[C@@H](C(N)=O)C2)c(F)c1 NC(=O)[*:1] Cc1ccc(NCC(=O)N2CCC[C@@H](C2)[*:1])c(F)c1
CCN(CC(=O)N[C@@H](C)COC)c1ccc(F)cc1 COC[C@H](C)[*:1] CCN(CC(=O)N[*:1])c1ccc(F)cc1
CCN(CC(=O)N[C@@H](C)COC)c1ccc(F)cc1 COC[*:1] CCN(CC(=O)N[C@@H](C)[*:1])c1ccc(F)cc1
CCO[C@H](C)c1nc(CC(=O)N2c3ccccc3CC[C@H]2C(C)C)cs1 CCO[*:1] CC(C)[C@@H]1CCc2ccccc2N1C(=O)Cc1csc(n1)[C@@H](C)[*:1]
CCO[C@H](C)c1nc(CC(=O)N2c3ccccc3CC[C@H]2C(C)C)cs1 CCO[C@H](C)[*:1] CC(C)[C@@H]1CCc2ccccc2N1C(=O)Cc1csc(n1)[*:1]
CCO[C@H](C)c1nc(CC(=O)N2c3ccccc3CC[C@H]2C(C)C)cs1 CC(C)[*:1] CCO[C@H](C)c1nc(cs1)CC(=O)N1c2ccccc2CC[C@@H]1[*:1]
O=C([O-])CCSc1nc(-c2cccs2)cc(C(F)(F)F)n1 FC(F)(F)[*:1] O=C([O-])CCSc1nc(cc(n1)[*:1])-c1cccs1
O=C([O-])CCSc1nc(-c2cccs2)cc(C(F)(F)F)n1 O=C([O-])C[*:1] FC(F)(F)c1cc(nc(n1)SC[*:1])-c1cccs1
O=C([O-])CCSc1nc(-c2cccs2)cc(C(F)(F)F)n1 O=C([O-])[*:1] FC(F)(F)c1cc(nc(n1)SCC[*:1])-c1cccs1
O=C([O-])CCSc1nc(-c2cccs2)cc(C(F)(F)F)n1 O=C([O-])CCS[*:1] FC(F)(F)c1cc(nc(n1)[*:1])-c1cccs1
O=C([O-])CCSc1nc(-c2cccs2)cc(C(F)(F)F)n1 O=C([O-])CC[*:1] FC(F)(F)c1cc(nc(n1)S[*:1])-c1cccs1
O=C([O-])CCSc1nc(-c2cccs2)cc(C(F)(F)F)n1 c1csc(c1)[*:1] O=C([O-])CCSc1nc(cc(n1)[*:1])C(F)(F)F
Cc1ccccc1OCCN(C)C(=O)c1n[nH]c(=O)c2ccccc12 Cc1ccccc1[*:1] CN(CCO[*:1])C(=O)c1n[nH]c(=O)c2ccccc12
Cc1ccccc1OCCN(C)C(=O)c1n[nH]c(=O)c2ccccc12 Cc1ccccc1O[*:1] CN(CC[*:1])C(=O)c1n[nH]c(=O)c2ccccc12
Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)c(F)c(C)c2)o1 Cc1ccc(o1)[*:1] Cc1cc(cc(C)c1F)C[NH2+][C@H](C)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(SC(F)F)c1 c1csc(c1)C[*:1] C[C@@H](N(C)C(=O)Nc1cccc(c1)SC(F)F)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(SC(F)F)c1 c1csc(c1)[*:1] C[C@@H](C[*:1])N(C)C(=O)Nc1cccc(c1)SC(F)F
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(SC(F)F)c1 FC(F)S[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(c1)[*:1]
C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(SC(F)F)c1 FC(F)[*:1] C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(c1)S[*:1]
COc1ccc(CCc2nnc(NC(=O)CC(C)C)s2)cc1 CC(C)C[*:1] COc1ccc(cc1)CCc1nnc(NC(=O)[*:1])s1
COc1ccc(CCc2nnc(NC(=O)CC(C)C)s2)cc1 CC(C)CC(=O)N[*:1] COc1ccc(cc1)CCc1nnc(s1)[*:1]
COc1ccc(CCc2nnc(NC(=O)CC(C)C)s2)cc1 CC(C)[*:1] COc1ccc(cc1)CCc1nnc(NC(=O)C[*:1])s1
O=C([O-])c1ccc(Oc2cc(-c3ccccc3)nc(-c3cnccn3)n2)cc1 O=C([O-])[*:1] c1ccc(cc1)-c1cc(nc(n1)-c1cnccn1)Oc1ccc(cc1)[*:1]
O=C([O-])c1ccc(Oc2cc(-c3ccccc3)nc(-c3cnccn3)n2)cc1 O=C([O-])c1ccc(cc1)[*:1] c1ccc(cc1)-c1cc(nc(n1)-c1cnccn1)O[*:1]
O=C([O-])c1ccc(Oc2cc(-c3ccccc3)nc(-c3cnccn3)n2)cc1 c1cnc(cn1)[*:1] O=C([O-])c1ccc(cc1)Oc1cc(nc(n1)[*:1])-c1ccccc1
O=C([O-])c1ccc(Oc2cc(-c3ccccc3)nc(-c3cnccn3)n2)cc1 c1ccc(cc1)[*:1] O=C([O-])c1ccc(cc1)Oc1cc(nc(n1)-c1cnccn1)[*:1]
CCOc1ccc(C(=O)N(Cc2ccccc2F)C[C@H]2CCCO2)cc1 CCO[*:1] O=C(c1ccc(cc1)[*:1])N(Cc1ccccc1F)C[C@H]1CCCO1
CCOc1ccc(C(=O)N(Cc2ccccc2F)C[C@H]2CCCO2)cc1 Fc1ccccc1[*:1] CCOc1ccc(cc1)C(=O)N(C[C@H]1CCCO1)C[*:1]
CCOc1ccc(C(=O)N(Cc2ccccc2F)C[C@H]2CCCO2)cc1 Fc1ccccc1C[*:1] CCOc1ccc(cc1)C(=O)N(C[C@H]1CCCO1)[*:1]
C[NH+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 O=[N+]([O-])[*:1] C[NH+](C)CCNc1ccc(c2cccnc12)[*:1]
O=C(NC[C@]1(O)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] O=C(NC[C@]1(O)CC[NH2+]C1)c1ccc(cc1)[*:1]
COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3ccncc3)ccc2c1 c1cc(ccn1)[*:1] COc1ccc2cc(ccc2c1)[C@@H](C)C(=O)N[C@@H](C)[*:1]
COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3ccncc3)ccc2c1 C[C@@H](c1ccncc1)[*:1] COc1ccc2cc(ccc2c1)[C@@H](C)C(=O)N[*:1]
O=c1c2ccccc2nc(CSc2nc(-c3ccccc3)n[nH]2)n1C[C@@H]1CC=CO1 c1ccc(cc1)[*:1] O=c1c2ccccc2nc(CSc2nc(n[nH]2)[*:1])n1C[C@@H]1CC=CO1
COCc1nc(C)cc(S[C@@H](C)C(=O)OC)n1 COC[*:1] COC(=O)[C@H](C)Sc1cc(C)nc(n1)[*:1]
COCc1nc(C)cc(S[C@@H](C)C(=O)OC)n1 COC(=O)[*:1] COCc1nc(C)cc(n1)S[C@@H](C)[*:1]
CCCCCN1C[C@H](C(=O)Nc2ccc(F)cc2)CC1=O CCCCC[*:1] O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(C1)[*:1]
CCCCCN1C[C@H](C(=O)Nc2ccc(F)cc2)CC1=O Fc1ccc(cc1)[*:1] CCCCCN1C[C@@H](CC1=O)C(=O)N[*:1]
CCCCCN1C[C@H](C(=O)Nc2ccc(F)cc2)CC1=O CCC[*:1] O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(CC[*:1])C1
CCCCCN1C[C@H](C(=O)Nc2ccc(F)cc2)CC1=O CCCC[*:1] O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(C1)C[*:1]
CCn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc2c(C)nn(C)c2c1=O Fc1ccc(cc1)[*:1] CCn1c(nc2c(C)nn(C)c2c1=O)N1CCN(CC1)C(=O)[*:1]
Cc1cc(N2CCN(C(=O)COc3cccc4ccccc34)CC2)ncn1 Cc1cc(ncn1)[*:1] O=C(COc1cccc2ccccc12)N1CCN(CC1)[*:1]
CCCc1nc(NCc2cc3c(nc2OC)CN(CC)C3=O)cc(C)[nH+]1 CCC[*:1] CCN1Cc2nc(OC)c(cc2C1=O)CNc1cc(C)[nH+]c(n1)[*:1]
CCOc1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] CCOc1ccc(cc1)CN(C)S(=O)(=O)[*:1]
CCOc1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 CCO[*:1] Cc1ccc(cc1)S(=O)(=O)N(C)Cc1ccc(cc1)[*:1]
CC(C)c1cc(C(=O)NCCS(=O)(=O)N(C)C)on1 CC(C)[*:1] CN(C)S(=O)(=O)CCNC(=O)c1cc(no1)[*:1]
CC(C)c1cc(C(=O)NCCS(=O)(=O)N(C)C)on1 CN(C)S(=O)(=O)[*:1] CC(C)c1cc(on1)C(=O)NCC[*:1]
CCCCCNC(=O)CN1C[C@H](C)Oc2ccc(OC)cc21 CCCC[*:1] COc1ccc2O[C@@H](C)CN(CC(=O)NC[*:1])c2c1
CCCCCNC(=O)CN1C[C@H](C)Oc2ccc(OC)cc21 CCCCC[*:1] COc1ccc2O[C@@H](C)CN(CC(=O)N[*:1])c2c1
CCCCCNC(=O)CN1C[C@H](C)Oc2ccc(OC)cc21 CCC[*:1] COc1ccc2O[C@@H](C)CN(CC(=O)NCC[*:1])c2c1
Cn1ccnc1[C@](O)(CCNC(=O)NCC(F)(F)F)C(F)(F)F FC(F)(F)[*:1] Cn1ccnc1[C@](O)(CCNC(=O)NCC(F)(F)F)[*:1]
Cn1ccnc1[C@](O)(CCNC(=O)NCC(F)(F)F)C(F)(F)F FC(F)(F)[*:1] Cn1ccnc1[C@](O)(CCNC(=O)NC[*:1])C(F)(F)F
Cn1ccnc1[C@](O)(CCNC(=O)NCC(F)(F)F)C(F)(F)F Cn1ccnc1[*:1] O=C(NCC[C@@](O)(C(F)(F)F)[*:1])NCC(F)(F)F
Cn1ccnc1[C@](O)(CCNC(=O)NCC(F)(F)F)C(F)(F)F FC(F)(F)C[*:1] Cn1ccnc1[C@](O)(CCNC(=O)N[*:1])C(F)(F)F
COC(=O)[C@@H](C)[C@H](C)NCC[NH+]1CCCCC1 COC(=O)[*:1] C[C@H](NCC[NH+]1CCCCC1)[C@H](C)[*:1]
O=C([O-])CSc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 Clc1ccc(cc1)[*:1] O=C([O-])CSc1nc2ccc(cc2s1)NC(=O)CO[*:1]
O=C([O-])CSc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 O=C([O-])C[*:1] O=C(COc1ccc(Cl)cc1)Nc1ccc2nc(S[*:1])sc2c1
O=C([O-])CSc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 Clc1ccc(cc1)O[*:1] O=C([O-])CSc1nc2ccc(cc2s1)NC(=O)C[*:1]
O=C([O-])CSc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 O=C([O-])CS[*:1] O=C(COc1ccc(Cl)cc1)Nc1ccc2nc(sc2c1)[*:1]
O=C([O-])CSc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 O=C([O-])[*:1] O=C(COc1ccc(Cl)cc1)Nc1ccc2nc(SC[*:1])sc2c1
COc1ccc(O)c(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1 c1ccc(nc1)[*:1] COc1ccc(O)c(c1)C(=O)NCc1ccc(cc1)OC[*:1]
COc1ccc(O)c(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1 COc1ccc(O)c(c1)[*:1] O=C(NCc1ccc(cc1)OCc1ccccn1)[*:1]
COc1ccc(O)c(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1 c1ccc(C[*:1])nc1 COc1ccc(O)c(c1)C(=O)NCc1ccc(cc1)O[*:1]
COc1ccc(O)c(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1 c1ccc(CO[*:1])nc1 COc1ccc(O)c(c1)C(=O)NCc1ccc(cc1)[*:1]
COc1ccc(Cl)cc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 CC(C)[*:1] COc1ccc(Cl)cc1CNC(=O)[C@@H]1CC(=O)N(C1)[*:1]
CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1 Cc1ccc(C)c(c1)[*:1] CCOc1ccc(cc1)C(=O)N1CCC(CC1)NS(=O)(=O)[*:1]
CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1 CCO[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NC1CCN(CC1)C(=O)c1ccc(cc1)[*:1]
CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1 CCOc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)S(=O)(=O)NC1CCN(CC1)C(=O)[*:1]
Cc1ccc(COc2ccc([C@H]3CC(=O)NC4=NC(c5ccccc5)=NC(=O)[C@H]43)cc2)cc1 Cc1ccc(cc1)C[*:1] O=C1C[C@H](c2ccc(cc2)O[*:1])[C@@H]2C(=O)N=C(N=C2N1)c1ccccc1
Cc1ccc(COc2ccc([C@H]3CC(=O)NC4=NC(c5ccccc5)=NC(=O)[C@H]43)cc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)COc1ccc(cc1)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)[*:1]
Cc1ccc(COc2ccc([C@H]3CC(=O)NC4=NC(c5ccccc5)=NC(=O)[C@H]43)cc2)cc1 Cc1ccc(cc1)CO[*:1] O=C1C[C@H](c2ccc(cc2)[*:1])[C@@H]2C(=O)N=C(N=C2N1)c1ccccc1
Cc1ccc(COc2ccc([C@H]3CC(=O)NC4=NC(c5ccccc5)=NC(=O)[C@H]43)cc2)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@H](c2ccc(cc2)OC[*:1])[C@@H]2C(=O)N=C(N=C2N1)c1ccccc1
Cc1ccc(NC(=O)C(=O)Nc2cn[nH]c2)c(C)c1 c1n[nH]cc1[*:1] Cc1ccc(NC(=O)C(=O)N[*:1])c(C)c1
CC(C)OCCOCc1cccc(NC(=O)N2CCCC2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)COCCO[*:1])N1CCCC1
CC(C)OCCOCc1cccc(NC(=O)N2CCCC2)c1 CC(C)OCCO[*:1] O=C(Nc1cccc(c1)C[*:1])N1CCCC1
CC(C)OCCOCc1cccc(NC(=O)N2CCCC2)c1 CC(C)OCC[*:1] O=C(Nc1cccc(c1)CO[*:1])N1CCCC1
CC(C)OCCOCc1cccc(NC(=O)N2CCCC2)c1 CC(C)O[*:1] O=C(Nc1cccc(c1)COCC[*:1])N1CCCC1
CC(C)OCCOCc1cccc(NC(=O)N2CCCC2)c1 CC(C)OC[*:1] O=C(Nc1cccc(c1)COC[*:1])N1CCCC1
COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1c3ccccc3CCN1C2=O O=C(Nc1ccc(F)c(Cl)c1)[*:1] COc1cc2C(=O)N3CCc4ccccc4[C@@H]3[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1c3ccccc3CCN1C2=O Fc1ccc(cc1Cl)[*:1] COc1cc2C(=O)N3CCc4ccccc4[C@@H]3[C@@H](C(=O)N[*:1])c2cc1OC
CCc1nsc(N2CCN(CC(=O)N(C)Cc3cnn(C)c3)CC2)n1 CCc1nsc(n1)[*:1] CN(Cc1cnn(C)c1)C(=O)CN1CCN(CC1)[*:1]
CCc1nsc(N2CCN(CC(=O)N(C)Cc3cnn(C)c3)CC2)n1 Cn1cc(cn1)[*:1] CCc1nsc(n1)N1CCN(CC1)CC(=O)N(C)C[*:1]
CCc1nsc(N2CCN(CC(=O)N(C)Cc3cnn(C)c3)CC2)n1 Cn1cc(cn1)C[*:1] CCc1nsc(n1)N1CCN(CC1)CC(=O)N(C)[*:1]
Cn1nc(C(=O)NNC(=O)CNC(=O)COc2ccccc2)c2ccccc2c1=O c1ccc(cc1)O[*:1] Cn1nc(C(=O)NNC(=O)CNC(=O)C[*:1])c2ccccc2c1=O
Cn1nc(C(=O)NNC(=O)CNC(=O)COc2ccccc2)c2ccccc2c1=O c1ccc(cc1)[*:1] Cn1nc(C(=O)NNC(=O)CNC(=O)CO[*:1])c2ccccc2c1=O
Cn1nc(C(=O)NNC(=O)CNC(=O)COc2ccccc2)c2ccccc2c1=O c1ccc(cc1)OC[*:1] Cn1nc(C(=O)NNC(=O)CNC(=O)[*:1])c2ccccc2c1=O
Cn1cccc1[C@@H]1CCCCCN1C(=O)CNC(=O)Cc1ccccc1 Cn1cccc1[*:1] O=C(Cc1ccccc1)NCC(=O)N1CCCCC[C@H]1[*:1]
Cn1cccc1[C@@H]1CCCCCN1C(=O)CNC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cn1cccc1[C@@H]1CCCCCN1C(=O)CNC(=O)[*:1]
Cn1cccc1[C@@H]1CCCCCN1C(=O)CNC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cn1cccc1[C@@H]1CCCCCN1C(=O)CNC(=O)C[*:1]
O=C(NNC(=O)[C@@H]1CCOc2ccccc21)c1ccc(Cl)nc1 Clc1ccc(cn1)[*:1] O=C(NNC(=O)[*:1])[C@@H]1CCOc2ccccc21
COC(=O)c1cccc(C#CCO)c1 OCC#C[*:1] COC(=O)c1cccc(c1)[*:1]
COC(=O)c1cccc(C#CCO)c1 COC(=O)[*:1] OCC#Cc1cccc(c1)[*:1]
CCC[C@](C)(CO)NC(=O)N[C@@H](C)c1ccncc1 c1cc(ccn1)[*:1] CCC[C@](C)(CO)NC(=O)N[C@@H](C)[*:1]
CCC[C@](C)(CO)NC(=O)N[C@@H](C)c1ccncc1 CCC[*:1] C[C@H](NC(=O)N[C@](C)(CO)[*:1])c1ccncc1
O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H]1c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccc2OCOc2c1)[C@@H]1C[C@@H]1[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@@]1([NH3+])Cc1nccs1 c1csc(n1)[*:1] CC(C)[C@H]1CC[C@H](C)C[C@@]1([NH3+])C[*:1]
CC(C)[C@H]1CC[C@H](C)C[C@@]1([NH3+])Cc1nccs1 CC(C)[*:1] C[C@H]1CC[C@@H]([C@]([NH3+])(Cc2nccs2)C1)[*:1]
C[C@H](NC(=O)c1cn(C)nc1C(C)(C)C)c1nc(C2CCCCC2)no1 CC(C)(C)[*:1] C[C@H](NC(=O)c1cn(C)nc1[*:1])c1nc(no1)C1CCCCC1
C[C@H](NC(=O)c1cn(C)nc1C(C)(C)C)c1nc(C2CCCCC2)no1 C1CCC(CC1)[*:1] C[C@H](NC(=O)c1cn(C)nc1C(C)(C)C)c1nc(no1)[*:1]
CCc1ccccc1NC(=O)[C@@H]1CSc2nc(C)c(CC)c(=O)n2C1 CCc1ccccc1[*:1] CCc1c(C)nc2SC[C@H](Cn2c1=O)C(=O)N[*:1]
CC[NH+]1CCN(c2ccc(CNC(=O)c3cn(C)nc3C(C)(C)C)cn2)CC1 CC(C)(C)[*:1] CC[NH+]1CCN(CC1)c1ccc(cn1)CNC(=O)c1cn(C)nc1[*:1]
CC(C)CSc1nc2ccccc2n1CC(=O)Nc1ccccc1F Fc1ccccc1[*:1] CC(C)CSc1nc2ccccc2n1CC(=O)N[*:1]
CC(C)CSc1nc2ccccc2n1CC(=O)Nc1ccccc1F CC(C)[*:1] O=C(Cn1c(nc2ccccc21)SC[*:1])Nc1ccccc1F
CC(C)CSc1nc2ccccc2n1CC(=O)Nc1ccccc1F CC(C)CS[*:1] O=C(Cn1c(nc2ccccc21)[*:1])Nc1ccccc1F
CC(C)CSc1nc2ccccc2n1CC(=O)Nc1ccccc1F CC(C)C[*:1] O=C(Cn1c(nc2ccccc21)S[*:1])Nc1ccccc1F
O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccc3c(c2)CCO3)CC1 Clc1ccc(c(Cl)c1)[*:1] O=C(N1CCN(CC1)Cc1ccc2OCCc2c1)[*:1]
CC[C@H](CCCl)CNc1nc(C)c(C)s1 ClCC[*:1] CC[C@H](CNc1nc(C)c(C)s1)[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)CCSCc2ccccn2)CC1 c1ccc(C[*:1])nc1 Cc1occc1C(=O)NC1CCN(CC1)C(=O)CCS[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)CCSCc2ccccn2)CC1 c1ccc(nc1)[*:1] Cc1occc1C(=O)NC1CCN(CC1)C(=O)CCSC[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)CCSCc2ccccn2)CC1 Cc1occc1[*:1] O=C(CCSCc1ccccn1)N1CCC(CC1)NC(=O)[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)CCSCc2ccccn2)CC1 c1ccc(CSC[*:1])nc1 Cc1occc1C(=O)NC1CCN(CC1)C(=O)C[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)CCSCc2ccccn2)CC1 Cc1occc1C(=O)N[*:1] O=C(CCSCc1ccccn1)N1CCC(CC1)[*:1]
Cc1occc1C(=O)NC1CCN(C(=O)CCSCc2ccccn2)CC1 c1ccc(CS[*:1])nc1 Cc1occc1C(=O)NC1CCN(CC1)C(=O)CC[*:1]
C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1Cl c1ccc(nc1)[*:1] C[C@H](NC(=O)Cc1csc(n1)[*:1])c1ccc(Cl)cc1Cl
C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1Cl Clc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)Cc1csc(n1)-c1ccccn1)[*:1]
C[C@H]1CN(C(=O)C(=O)NCC[C@@H](O)c2ccccc2)c2ccccc21 c1ccc(cc1)[*:1] C[C@H]1CN(C(=O)C(=O)NCC[C@@H](O)[*:1])c2ccccc21
C[C@H]1CN(C(=O)C(=O)NCC[C@@H](O)c2ccccc2)c2ccccc21 O[C@@H](c1ccccc1)[*:1] C[C@H]1CN(C(=O)C(=O)NCC[*:1])c2ccccc21
CCOc1ccc(OCC(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1 CCO[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccc2nc(oc2c1)C1CC1
CCOc1ccc(OCC(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1 C1CC1[*:1] CCOc1ccc(cc1)OCC(=O)Nc1ccc2nc(oc2c1)[*:1]
Cc1noc(CCC(=O)N[C@H](C)c2ccc(Cl)s2)n1 Clc1ccc(s1)[*:1] Cc1noc(CCC(=O)N[C@H](C)[*:1])n1
Cc1noc(CCC(=O)N[C@H](C)c2ccc(Cl)s2)n1 Cc1noc(n1)[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc(Cl)s1
O=C1COc2ccc(NC(=O)C3CCOCC3)cc2N1 C1CC(CCO1)[*:1] O=C1COc2ccc(cc2N1)NC(=O)[*:1]
N#Cc1c(NC(=O)CC2CCCCC2)sc2c1CCC2 C1CCC(CC1)[*:1] N#Cc1c(NC(=O)C[*:1])sc2CCCc21
CN(C)C(=O)c1ccc2c(c1)CCCN2 CN(C)C(=O)[*:1] c1cc2NCCCc2cc1[*:1]
CCCNc1nc(NCc2cccc(C)c2)c2cnn(C)c2n1 CCC[*:1] Cc1cccc(c1)CNc1nc(nc2c1cnn2C)N[*:1]
CCCNc1nc(NCc2cccc(C)c2)c2cnn(C)c2n1 CCCN[*:1] Cc1cccc(c1)CNc1nc(nc2c1cnn2C)[*:1]
CCCNc1nc(NCc2cccc(C)c2)c2cnn(C)c2n1 Cc1cccc(c1)[*:1] CCCNc1nc(NC[*:1])c2cnn(C)c2n1
COc1ccc(OC)c(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2OC)C4)c1 COc1ccccc1C[*:1] COc1ccc(OC)c(/C=C2\Oc3c4CN(COc4cc(C)c3C2=O)[*:1])c1
COc1ccc(OC)c(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2OC)C4)c1 COc1ccc(OC)c(c1)[*:1] COc1ccccc1CN1COc2cc(C)c3C(=O)C(=C[*:1])Oc3c2C1
COc1ccc(OC)c(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccc2OC)C4)c1 COc1ccccc1[*:1] COc1ccc(OC)c(/C=C2\Oc3c4CN(COc4cc(C)c3C2=O)C[*:1])c1
O=C([O-])C[C@](O)(c1ccco1)C(F)(F)F O=C([O-])C[*:1] O[C@](c1ccco1)(C(F)(F)F)[*:1]
O=C([O-])C[C@](O)(c1ccco1)C(F)(F)F O=C([O-])[*:1] O[C@@](C[*:1])(c1ccco1)C(F)(F)F
O=C([O-])C[C@](O)(c1ccco1)C(F)(F)F FC(F)(F)[*:1] O=C([O-])C[C@](O)(c1ccco1)[*:1]
O=C([O-])C[C@](O)(c1ccco1)C(F)(F)F c1coc(c1)[*:1] O=C([O-])C[C@](O)(C(F)(F)F)[*:1]
CCC[C@@H](C)NC(=O)CNc1ccc(F)cc1I CCC[C@@H](C)[*:1] O=C(CNc1ccc(F)cc1I)N[*:1]
CCC[C@@H](C)NC(=O)CNc1ccc(F)cc1I CCC[*:1] C[C@@H](NC(=O)CNc1ccc(F)cc1I)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCc1cnn(C)c1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1CNC(=O)CCc1cnn(C)c1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCc1cnn(C)c1 Cn1cc(cn1)CC[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCc1cnn(C)c1 Cn1cc(cn1)C[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[*:1]
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCc1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CC[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)cc4C)CC3)cc2C[C@H]1C Cc1cc(F)ccc1[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)cc4C)CC3)cc2C[C@H]1C Cc1cc(F)ccc1NC(=O)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N1CCC(CC1)[*:1]
CCc1noc(CC)c1CNC(=O)NNC(=O)c1cccc2ncccc12 CCc1noc(CC)c1[*:1] O=C(NC[*:1])NNC(=O)c1cccc2ncccc12
COC(=O)c1c(SCC(=O)Nc2cccc(C)c2)nc(=O)[nH]c1C Cc1cccc(c1)[*:1] COC(=O)c1c(nc(=O)[nH]c1C)SCC(=O)N[*:1]
COC(=O)c1c(SCC(=O)Nc2cccc(C)c2)nc(=O)[nH]c1C COC(=O)[*:1] Cc1cccc(c1)NC(=O)CSc1nc(=O)[nH]c(C)c1[*:1]
Cc1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc1Oc1cccnc1 C1CC[C@H](OC1)[*:1] Cc1cc(ccc1Oc1cccnc1)[N-]S(=O)(=O)C[*:1]
Cc1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc1Oc1cccnc1 c1cncc(c1)[*:1] Cc1cc(ccc1O[*:1])[N-]S(=O)(=O)C[C@@H]1CCCCO1
Cc1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc1Oc1cccnc1 c1cncc(c1)O[*:1] Cc1cc(ccc1[*:1])[N-]S(=O)(=O)C[C@@H]1CCCCO1
O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[C@@H]1C(=O)OCCF O=C(OCCF)[*:1] O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[C@H]1[*:1]
O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[C@@H]1C(=O)OCCF FCC[*:1] O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[C@@H]1C(=O)O[*:1]
N#Cc1ccc(NCC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 N#Cc1ccc(cc1)N[*:1] O=C(C[*:1])NC[C@H]1CC(=O)N(Cc2ccccc2)C1
N#Cc1ccc(NCC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 c1ccc(cc1)[*:1] N#Cc1ccc(cc1)NCC(=O)NC[C@H]1CC(=O)N(C1)C[*:1]
N#Cc1ccc(NCC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 c1ccc(cc1)C[*:1] N#Cc1ccc(cc1)NCC(=O)NC[C@H]1CC(=O)N(C1)[*:1]
N#Cc1ccc(NCC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CN[*:1])NC[C@H]1CC(=O)N(Cc2ccccc2)C1
COc1ccc2c(C)c(CCC(=O)Nc3nc(C)cs3)c(=O)oc2c1 Cc1csc(n1)[*:1] COc1ccc2c(C)c(CCC(=O)N[*:1])c(=O)oc2c1
CN(Cc1nccs1)C(=O)[C@@H]1CCCN1C(=O)c1ccccn1 c1csc(C[*:1])n1 CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccn1)[*:1]
CN(Cc1nccs1)C(=O)[C@@H]1CCCN1C(=O)c1ccccn1 c1csc(n1)[*:1] CN(C[*:1])C(=O)[C@@H]1CCCN1C(=O)c1ccccn1
CN(Cc1nccs1)C(=O)[C@@H]1CCCN1C(=O)c1ccccn1 c1ccc(nc1)[*:1] CN(Cc1nccs1)C(=O)[C@@H]1CCCN1C(=O)[*:1]
CCn1cc[nH+]c1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCn1cc[nH+]c1CN1CCO[C@@H](C1)[*:1]
Cc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(C)(C)C)cc1S(N)(=O)=O CC(C)C[*:1] Cc1ccc(cc1S(N)(=O)=O)[C@@H](C)[NH2+][C@@H](C(C)(C)C)[*:1]
Cc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(C)(C)C)cc1S(N)(=O)=O NS(=O)(=O)[*:1] Cc1ccc(cc1[*:1])[C@@H](C)[NH2+][C@@H](CC(C)C)C(C)(C)C
Cc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(C)(C)C)cc1S(N)(=O)=O CC(C)[*:1] Cc1ccc(cc1S(N)(=O)=O)[C@@H](C)[NH2+][C@@H](C[*:1])C(C)(C)C
Cc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(C)(C)C)cc1S(N)(=O)=O CC(C)(C)[*:1] Cc1ccc(cc1S(N)(=O)=O)[C@@H](C)[NH2+][C@@H](CC(C)C)[*:1]
Cc1ccc(C)c([C@H]2CC[NH2+]C[C@@H]2c2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)[C@H]1CC[NH2+]C[C@H]1[*:1]
CCSc1nnc(NC(=O)Cn2cccn2)s1 c1cnn(c1)[*:1] CCSc1nnc(NC(=O)C[*:1])s1
CCSc1nnc(NC(=O)Cn2cccn2)s1 CCS[*:1] O=C(Cn1cccn1)Nc1nnc(s1)[*:1]
Cc1cccnc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N Cc1cccnc1[*:1] Nc1c(ncnc1N[*:1])NNC(=O)c1ccc(Br)cc1
Cc1cccnc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N Cc1cccnc1N[*:1] Nc1c(ncnc1[*:1])NNC(=O)c1ccc(Br)cc1
Cc1cccnc1Nc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N Brc1ccc(cc1)[*:1] Cc1cccnc1Nc1ncnc(NNC(=O)[*:1])c1N
CN(CCOCC1CC1)c1nccnc1C(=O)[O-] C1CC1CO[*:1] CN(CC[*:1])c1nccnc1C(=O)[O-]
CN(CCOCC1CC1)c1nccnc1C(=O)[O-] C1CC1COC[*:1] CN(C[*:1])c1nccnc1C(=O)[O-]
CN(CCOCC1CC1)c1nccnc1C(=O)[O-] O=C([O-])[*:1] CN(CCOCC1CC1)c1nccnc1[*:1]
CN(CCOCC1CC1)c1nccnc1C(=O)[O-] C1CC1[*:1] CN(CCOC[*:1])c1nccnc1C(=O)[O-]
CN(CCOCC1CC1)c1nccnc1C(=O)[O-] C1CC1C[*:1] CN(CCO[*:1])c1nccnc1C(=O)[O-]
O=C(NCc1ccc(OCC(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1 FC(F)(F)C[*:1] O=C(NCc1ccc(cc1)O[*:1])Nc1cccc(c1)[N+](=O)[O-]
O=C(NCc1ccc(OCC(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1 FC(F)(F)CO[*:1] O=C(NCc1ccc(cc1)[*:1])Nc1cccc(c1)[N+](=O)[O-]
O=C(NCc1ccc(OCC(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(NCc1ccc(cc1)OCC(F)(F)F)Nc1cccc(c1)[*:1]
O=C(NCc1ccc(OCC(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1 FC(F)(F)[*:1] O=C(NCc1ccc(cc1)OC[*:1])Nc1cccc(c1)[N+](=O)[O-]
COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1OC COc1ccc(cc1OC)[*:1] C[C@@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N[*:1]
CCCOC/C([O-])=N/S(=O)(=O)/C=C/c1ccccc1 c1ccc(cc1)[*:1] CCCOC/C([O-])=N/S(=O)(=O)C=C[*:1]
CCCOC/C([O-])=N/S(=O)(=O)/C=C/c1ccccc1 CCCO[*:1] O=S(=O)(/C=C/c1ccccc1)/N=C(\[O-])C[*:1]
CCCOC/C([O-])=N/S(=O)(=O)/C=C/c1ccccc1 CCC[*:1] O=S(=O)(/C=C/c1ccccc1)/N=C(\[O-])CO[*:1]
CCCOC/C([O-])=N/S(=O)(=O)/C=C/c1ccccc1 CCCOC[*:1] O=S(=O)(/C=C/c1ccccc1)/N=C(\[O-])[*:1]
COc1cc(Br)cc(C2=NN(C(C)=O)[C@H](c3ccc(F)cc3)O2)c1OC(C)=O Fc1ccc(cc1)[*:1] COc1cc(Br)cc(C2=NN(C(C)=O)[C@H](O2)[*:1])c1OC(C)=O
COc1cc(Br)cc(C2=NN(C(C)=O)[C@H](c3ccc(F)cc3)O2)c1OC(C)=O CC(=O)O[*:1] COc1cc(Br)cc(C2=NN(C(C)=O)[C@@H](O2)c2ccc(F)cc2)c1[*:1]
O=C1N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C1N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(c1)[*:1]
O=C1N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 Brc1ccc(cc1)[*:1] O=C1N(c2cccc(c2)C(F)(F)F)[C@H]2CS(=O)(=O)C[C@H]2N1[*:1]
COc1cc(C(=O)N2CCN(CCCc3csc(C)n3)CC2)ccc1C Cc1nc(cs1)C[*:1] COc1cc(ccc1C)C(=O)N1CCN(CC1)CC[*:1]
COc1cc(C(=O)N2CCN(CCCc3csc(C)n3)CC2)ccc1C Cc1nc(cs1)[*:1] COc1cc(ccc1C)C(=O)N1CCN(CCC[*:1])CC1
COc1cc(C(=O)N2CCN(CCCc3csc(C)n3)CC2)ccc1C Cc1nc(cs1)CC[*:1] COc1cc(ccc1C)C(=O)N1CCN(CC1)C[*:1]
CSc1ncc(C(=O)NCCc2ccccc2Cl)c(C)n1 Clc1ccccc1[*:1] CSc1ncc(C(=O)NCC[*:1])c(C)n1
O=S(=O)(Cc1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 c1ccc(cc1)[*:1] O=S(=O)(C[*:1])N(C[C@@H]1CCCO1)[C@@H]1CCSC1
O=S(=O)(Cc1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@@H](C1)C[*:1] O=S(=O)(Cc1ccccc1)N([C@@H]1CCSC1)[*:1]
O=S(=O)(Cc1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@@H](C1)[*:1] O=S(=O)(Cc1ccccc1)N(C[*:1])[C@@H]1CCSC1
O=S(=O)(Cc1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 c1ccc(cc1)C[*:1] O=S(=O)(N(C[C@@H]1CCCO1)[C@@H]1CCSC1)[*:1]
CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(F)c(C#N)c1 CSCC[*:1] CCC(=O)N[C@H](C(=O)Nc1ccc(F)c(C#N)c1)[*:1]
CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(F)c(C#N)c1 CSC[*:1] CCC(=O)N[C@H](C[*:1])C(=O)Nc1ccc(F)c(C#N)c1
CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(F)c(C#N)c1 CCC(=O)N[*:1] CSCC[C@H](C(=O)Nc1ccc(F)c(C#N)c1)[*:1]
COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc4c(c3)OCCO4)n2)cc1 c1cc2OCCOc2cc1[*:1] COc1ccc(cc1)-c1csc(n1)NC(=O)COC(=O)[*:1]
COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc4c(c3)OCCO4)n2)cc1 COc1ccc(cc1)[*:1] O=C(COC(=O)c1ccc2OCCOc2c1)Nc1nc(cs1)[*:1]
COC(=O)C1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)CC1 Clc1ccc(cc1)[*:1] COC(=O)C1CCN(CC1)C(=O)N[C@H]([C@H]1C[C@H]1C)[*:1]
COC(=O)C1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)CC1 COC(=O)[*:1] C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(Cl)cc1
CCOC(=O)C1(C)CC[NH+](Cc2ccccc2Cl)CC1 CCOC(=O)[*:1] CC1(CC[NH+](CC1)Cc1ccccc1Cl)[*:1]
CCCC#CCCOS(=O)(=O)c1ccc(C)cc1 CCC[*:1] Cc1ccc(cc1)S(=O)(=O)OCCC#C[*:1]
CCCC#CCCOS(=O)(=O)c1ccc(C)cc1 CCCC#C[*:1] Cc1ccc(cc1)S(=O)(=O)OCC[*:1]
CCCC#CCCOS(=O)(=O)c1ccc(C)cc1 CCCC#CC[*:1] Cc1ccc(cc1)S(=O)(=O)OC[*:1]
CC(C)Oc1ccccc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1 CC(C)[*:1] O=C(/C=C/c1ccccc1O[*:1])c1ccc(cc1)N1CCOCC1
CC(C)Oc1ccccc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1 C1CN(CCO1)[*:1] CC(C)Oc1ccccc1/C=C/C(=O)c1ccc(cc1)[*:1]
CC(C)Oc1ccccc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1 CC(C)O[*:1] O=C(/C=C/c1ccccc1[*:1])c1ccc(cc1)N1CCOCC1
CO[C@@H](C)[C@H](O)c1ccc(Cl)cc1 CO[C@@H](C)[*:1] O[C@H](c1ccc(Cl)cc1)[*:1]
O=C(Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 c1ccc(cc1)[*:1] O=C(Nc1c2C[S@](=O)Cc2nn1[*:1])c1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 O=S(=O)(N1CCOCC1)[*:1] O=C(Nc1c2C[S@](=O)Cc2nn1-c1ccccc1)c1ccc(cc1)[*:1]
O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1NC(=N[*:1])S[C@@H]1Cc1ccccc1
O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1ccccc1 c1ccc(cc1)[*:1] O=C1N/C(=N\c2ccccc2)S[C@@H]1C[*:1]
O=C([O-])CSc1nc2cnccc2n1CC(F)(F)F O=C([O-])[*:1] FC(F)(F)Cn1c(nc2cnccc21)SC[*:1]
O=C([O-])CSc1nc2cnccc2n1CC(F)(F)F O=C([O-])C[*:1] FC(F)(F)Cn1c(nc2cnccc21)S[*:1]
O=C([O-])CSc1nc2cnccc2n1CC(F)(F)F FC(F)(F)[*:1] O=C([O-])CSc1nc2cnccc2n1C[*:1]
O=C([O-])CSc1nc2cnccc2n1CC(F)(F)F FC(F)(F)C[*:1] O=C([O-])CSc1nc2cnccc2n1[*:1]
O=C([O-])CSc1nc2cnccc2n1CC(F)(F)F O=C([O-])CS[*:1] FC(F)(F)Cn1c(nc2cnccc21)[*:1]
C/C=C/C[S@@](=O)Cc1csc(C(C)C)n1 CC(C)[*:1] C/C=C/C[S@@](=O)Cc1csc(n1)[*:1]
C/C=C/C[S@@](=O)Cc1csc(C(C)C)n1 CC=C[*:1] CC(C)c1nc(cs1)C[S@](=O)C[*:1]
C/C=C/C[S@@](=O)Cc1csc(C(C)C)n1 C/C=C/C[*:1] CC(C)c1nc(cs1)C[S@](=O)[*:1]
Cc1noc(C)c1CCNC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)CC[*:1] Cc1noc(C)c1CCNC(=O)N1CCCC[C@H]1[*:1]
Cc1noc(C)c1CCNC(=O)N1CCCC[C@@H]1CCc1ccccc1 Cc1noc(C)c1[*:1] O=C(NCC[*:1])N1CCCC[C@@H]1CCc1ccccc1
Cc1noc(C)c1CCNC(=O)N1CCCC[C@@H]1CCc1ccccc1 Cc1noc(C)c1C[*:1] O=C(NC[*:1])N1CCCC[C@@H]1CCc1ccccc1
Cc1noc(C)c1CCNC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)C[*:1] Cc1noc(C)c1CCNC(=O)N1CCCC[C@@H]1C[*:1]
Cc1noc(C)c1CCNC(=O)N1CCCC[C@@H]1CCc1ccccc1 c1ccc(cc1)[*:1] Cc1noc(C)c1CCNC(=O)N1CCCC[C@@H]1CC[*:1]
Cc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]2C=CS(=O)(=O)C2)cc1 Cc1ccc(cc1)[*:1] O=C(c1cccc(c1)[N+](=O)[O-])N([C@H]1C=CS(=O)(=O)C1)[*:1]
Cc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]2C=CS(=O)(=O)C2)cc1 O=[N+]([O-])[*:1] Cc1ccc(cc1)N(C(=O)c1cccc(c1)[*:1])[C@H]1C=CS(=O)(=O)C1
O=C(/C=C/c1ccc(Br)s1)NC[C@@H]1COc2ccccc2O1 Brc1ccc(s1)[*:1] O=C(C=C[*:1])NC[C@@H]1COc2ccccc2O1
O=C([O-])C[C@@H]1CN(c2nc3ccccc3s2)CCO1 O=C([O-])[*:1] c1ccc2sc(nc2c1)N1CCO[C@@H](C1)C[*:1]
O=C([O-])C[C@@H]1CN(c2nc3ccccc3s2)CCO1 O=C([O-])C[*:1] c1ccc2sc(nc2c1)N1CCO[C@@H](C1)[*:1]
CCCCc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 CCC[*:1] O=S(=O)(c1ccc(cc1)C[*:1])N1CCc2ccccc21
CCCCc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 CCCC[*:1] O=S(=O)(c1ccc(cc1)[*:1])N1CCc2ccccc21
Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(-c3ccccn3)o2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1c1nnc(o1)[*:1]
Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(-c3ccccn3)o2)cc1 Cc1ccc(cc1)[*:1] O=S(=O)(N1CCC[C@H]1c1nnc(o1)-c1ccccn1)[*:1]
CCN(CCC#N)C[C@@H]1COc2ccccc21 N#CCC[*:1] CCN(C[C@@H]1COc2ccccc21)[*:1]
CCN(CCC#N)C[C@@H]1COc2ccccc21 N#CC[*:1] CCN(C[C@@H]1COc2ccccc21)C[*:1]
COC[C@H](C)n1c(C)cc(C(=O)Cn2nnc(-c3ccccc3C)n2)c1C Cc1ccccc1[*:1] COC[C@H](C)n1c(C)cc(C(=O)Cn2nnc(n2)[*:1])c1C
COC[C@H](C)n1c(C)cc(C(=O)Cn2nnc(-c3ccccc3C)n2)c1C COC[*:1] Cc1ccccc1-c1nnn(CC(=O)c2cc(C)n(c2C)[C@@H](C)[*:1])n1
CCCn1c(C)nn(CN2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)c1=S Fc1ccc(cc1)[*:1] CCCn1c(C)nn(CN2C[C@H](C)O[C@H](C2)[*:1])c1=S
CCCn1c(C)nn(CN2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)c1=S CCC[*:1] Cc1nn(CN2C[C@H](C)O[C@@H](C2)c2ccc(F)cc2)c(=S)n1[*:1]
O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC=CCC2)c2ccccc2O1 O=C([O-])[*:1] O=C([C@H]1CC=CCC1)N1C[C@H](Oc2ccccc21)[*:1]
COC(=O)c1cccc(C(=O)Nc2ccnn2C2CCCCC2)n1 C1CCC(CC1)[*:1] COC(=O)c1cccc(n1)C(=O)Nc1ccnn1[*:1]
COC(=O)c1cccc(C(=O)Nc2ccnn2C2CCCCC2)n1 COC(=O)[*:1] O=C(Nc1ccnn1C1CCCCC1)c1cccc(n1)[*:1]
CC(C)N(C(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(C)C CC(C)[*:1] CC(C)N(C(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)[*:1]
CSc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 CS(=O)(=O)c1cccc(c1)[*:1] CSc1ccc2nc(sc2c1)N(C[C@H]1CCCO1)C(=O)[*:1]
CSc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 CS(=O)(=O)[*:1] CSc1ccc2nc(sc2c1)N(C[C@H]1CCCO1)C(=O)c1cccc(c1)[*:1]
O=C(Cc1c(F)cccc1F)NC[C@@H](O)c1ccco1 c1coc(c1)[*:1] O=C(Cc1c(F)cccc1F)NC[C@@H](O)[*:1]
COc1ccc(C(=O)NCc2nc(C)no2)cc1 Cc1noc(n1)[*:1] COc1ccc(cc1)C(=O)NC[*:1]
CCn1cnnc1CNC(=O)N1CCN(c2nccs2)CC1 c1csc(n1)[*:1] CCn1cnnc1CNC(=O)N1CCN(CC1)[*:1]
CCn1cnnc1CNC(=O)N1CCN(c2nccs2)CC1 CCn1cnnc1[*:1] O=C(NC[*:1])N1CCN(CC1)c1nccs1
Cc1c(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)[*:1]
Cc1c(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1
Cc1c(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] Cc1c(cccc1[*:1])[N+](=O)[O-] O=C(N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1)[*:1]
CC1(C)CN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC[S@]1=O Clc1cccc(c1)[*:1] CC1(C)CN(CC[S@]1=O)Cc1c[nH]nc1[*:1]
CCC[C@H]1CN(C(=O)Nc2ccccc2-n2cccn2)CCO1 CCC[*:1] O=C(Nc1ccccc1-n1cccn1)N1CCO[C@H](C1)[*:1]
CCC[C@H]1CN(C(=O)Nc2ccccc2-n2cccn2)CCO1 c1cnn(c1)[*:1] CCC[C@H]1CN(CCO1)C(=O)Nc1ccccc1[*:1]
[NH3+]C[C@@H](Cc1nccs1)c1cccc(Cl)c1 c1csc(n1)[*:1] [NH3+]C[C@@H](C[*:1])c1cccc(Cl)c1
CC(C)CN(C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CCO1)C(=O)c1cccc(F)c1 Fc1cccc(c1)[*:1] CC(C)CN(C[C@@H]1CN(CCO1)C(=O)c1ccc(Cl)cc1)C(=O)[*:1]
CC(C)CN(C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CCO1)C(=O)c1cccc(F)c1 CC(C)[*:1] O=C(c1ccc(Cl)cc1)N1CCO[C@@H](C1)CN(C[*:1])C(=O)c1cccc(F)c1
CC(C)CN(C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CCO1)C(=O)c1cccc(F)c1 CC(C)C[*:1] O=C(c1ccc(Cl)cc1)N1CCO[C@@H](C1)CN(C(=O)c1cccc(F)c1)[*:1]
CC(C)CN(C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CCO1)C(=O)c1cccc(F)c1 Clc1ccc(cc1)[*:1] CC(C)CN(C[C@@H]1CN(CCO1)C(=O)[*:1])C(=O)c1cccc(F)c1
CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnn1CC)CC2 CCn1nccc1[*:1] CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2CCN(Cc2c(=O)[nH]1)C(=O)[*:1]
CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnn1CC)CC2 CC[C@H](C)[*:1] CCn1nccc1C(=O)N1CCc2nc([nH]c(=O)c2C1)[C@H]1CCCN1C(=O)[*:1]
COc1ccc(-c2nc(-c3ccc4c(c3)oc(=O)n4C(C)C)no2)c(C)c1 CC(C)[*:1] COc1ccc(-c2nc(no2)-c2ccc3c(c2)oc(=O)n3[*:1])c(C)c1
COc1ccc(-c2nc(-c3ccc4c(c3)oc(=O)n4C(C)C)no2)c(C)c1 COc1ccc(c(C)c1)[*:1] CC(C)n1c(=O)oc2cc(ccc21)-c1noc(n1)[*:1]
O=C(Nc1cccc(Cl)c1Cl)c1ccccc1N1CCCC1=O O=C1CCCN1[*:1] O=C(Nc1cccc(Cl)c1Cl)c1ccccc1[*:1]
COc1ccccc1-c1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 c1ccc(C[*:1])nc1 COc1ccccc1-c1cccc(n1)[C@@H]1CCCN(C1)[*:1]
COc1ccccc1-c1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 c1ccc(nc1)[*:1] COc1ccccc1-c1cccc(n1)[C@@H]1CCCN(C1)C[*:1]
COc1ccccc1-c1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 COc1ccccc1[*:1] c1ccc(CN2CCC[C@H](C2)c2cccc(n2)[*:1])nc1
COc1ccc([C@H](NC(=O)c2ccc3nccnc3c2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N[C@H](C1CCOCC1)[*:1])c1ccc2nccnc2c1
COc1ccc([C@H](NC(=O)c2ccc3nccnc3c2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)c1ccc2nccnc2c1)[*:1]
COCC[NH2+]Cc1cnn(-c2ccccc2Cl)c1C(F)F COC[*:1] FC(F)c1c(cnn1-c1ccccc1Cl)C[NH2+]C[*:1]
COCC[NH2+]Cc1cnn(-c2ccccc2Cl)c1C(F)F Clc1ccccc1[*:1] COCC[NH2+]Cc1cnn(c1C(F)F)[*:1]
COCC[NH2+]Cc1cnn(-c2ccccc2Cl)c1C(F)F COCC[*:1] FC(F)c1c(cnn1-c1ccccc1Cl)C[NH2+][*:1]
COCC[NH2+]Cc1cnn(-c2ccccc2Cl)c1C(F)F FC(F)[*:1] COCC[NH2+]Cc1cnn(-c2ccccc2Cl)c1[*:1]
CC[NH2+][C@@H](C[C@@H](C)CC)C(C)(C)OC CC[C@H](C)[*:1] CC[NH2+][C@@H](C[*:1])C(C)(C)OC
CCOC(=O)c1ccnc(S(C)(=O)=O)n1 CS(=O)(=O)[*:1] CCOC(=O)c1ccnc(n1)[*:1]
CCOC(=O)c1ccnc(S(C)(=O)=O)n1 CCOC(=O)[*:1] CS(=O)(=O)c1nccc(n1)[*:1]
N#CCN1C(=O)[C@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 N#CC[*:1] O=C1N(c2ccccc2[C@@]12NCCc1c2[nH]c2ccccc12)[*:1]
CCSCC[C@@H](C)NC(=O)N[C@@H]1CCC[C@@]1(C)CO CCSCC[*:1] C[C@@H](NC(=O)N[C@@H]1CCC[C@@]1(C)CO)[*:1]
CCSCC[C@@H](C)NC(=O)N[C@@H]1CCC[C@@]1(C)CO CCS[*:1] C[C@H](CC[*:1])NC(=O)N[C@@H]1CCC[C@@]1(C)CO
CCSCC[C@@H](C)NC(=O)N[C@@H]1CCC[C@@]1(C)CO CCSC[*:1] C[C@H](C[*:1])NC(=O)N[C@@H]1CCC[C@@]1(C)CO
C[NH2+][C@H]1CCC[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 FC(F)(F)[*:1] C[NH2+][C@H]1CCC[C@@H](C1)[NH+]1CCN(CC1)C[*:1]
C[NH2+][C@H]1CCC[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 FC(F)(F)C[*:1] C[NH2+][C@H]1CCC[C@@H](C1)[NH+]1CCN(CC1)[*:1]
NC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1ccccc1 c1ccc(cc1)[*:1] NC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@H]2[*:1]
Cc1nc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n(CC(C)C)c1C CC(C)[*:1] Cc1nc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n(C[*:1])c1C
Cc1nc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n(CC(C)C)c1C CC(C)C[*:1] Cc1nc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n(c1C)[*:1]
O=NN1CCC(C(c2ccccc2)c2ccccc2)CC1 c1ccc(cc1)[*:1] O=NN1CCC(CC1)C(c1ccccc1)[*:1]
CCOc1ccc(CC(=O)NOCc2ccccc2)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])NOCc1ccccc1
CCOc1ccc(CC(=O)NOCc2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)CC(=O)NOC[*:1]
CCOc1ccc(CC(=O)NOCc2ccccc2)cc1 c1ccc(cc1)C[*:1] CCOc1ccc(cc1)CC(=O)NO[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(Oc2ccncc2)c1 Cc1noc(C)c1[*:1] C[C@@H](C(=O)Nc1cccc(c1)Oc1ccncc1)[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)[*:1] Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(c1)O[*:1]
Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(Oc2ccncc2)c1 c1cc(ccn1)O[*:1] Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(c1)[*:1]
N#Cc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1C(F)(F)F FC(F)(F)[*:1] N#Cc1ccc(cc1[*:1])NC(=O)C(=O)NCCC1=CCCCC1
O=C(ON1C(=O)c2ccccc2N[C@@H]1c1ccco1)c1ccccc1 c1ccc(cc1)[*:1] O=C1c2ccccc2N[C@H](c2ccco2)N1OC(=O)[*:1]
O=C(ON1C(=O)c2ccccc2N[C@@H]1c1ccco1)c1ccccc1 c1coc(c1)[*:1] O=C(ON1C(=O)c2ccccc2N[C@H]1[*:1])c1ccccc1
CNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)c2cccnc2)CCO1 CNC(=O)[*:1] Cc1ccc(cc1)-c1cccc(c1)C[C@@]1(CN(CCO1)C(=O)c1cccnc1)[*:1]
CNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)c2cccnc2)CCO1 Cc1ccc(cc1)[*:1] CNC(=O)[C@]1(Cc2cccc(c2)[*:1])CN(CCO1)C(=O)c1cccnc1
CNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)c2cccnc2)CCO1 c1cncc(c1)[*:1] CNC(=O)[C@]1(Cc2cccc(c2)-c2ccc(C)cc2)CN(CCO1)C(=O)[*:1]
Cc1nc2c(cnn2-c2ccccc2)c(=O)n1C[C@H](O)CN1CCOCC1 C1CN(CCO1)[*:1] Cc1nc2c(cnn2-c2ccccc2)c(=O)n1C[C@H](O)C[*:1]
Cc1nc2c(cnn2-c2ccccc2)c(=O)n1C[C@H](O)CN1CCOCC1 C1CN(CCO1)C[*:1] Cc1nc2c(cnn2-c2ccccc2)c(=O)n1C[C@H](O)[*:1]
Cc1nc2c(cnn2-c2ccccc2)c(=O)n1C[C@H](O)CN1CCOCC1 c1ccc(cc1)[*:1] Cc1nc2c(cnn2[*:1])c(=O)n1C[C@H](O)CN1CCOCC1
Nc1nc(C(F)(F)F)nn1CC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Nc1nc(nn1CC(=O)Nc1ccc(cc1)O[*:1])C(F)(F)F
Nc1nc(C(F)(F)F)nn1CC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)O[*:1] Nc1nc(nn1CC(=O)Nc1ccc(cc1)[*:1])C(F)(F)F
Nc1nc(C(F)(F)F)nn1CC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 FC(F)(F)[*:1] Nc1nc(nn1CC(=O)Nc1ccc(cc1)Oc1ccc(F)cc1)[*:1]
Cc1cc(OCC(N)=O)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 NC(=O)[*:1] Cc1cc(cc2O/C(=C\c3cccc(c3)[N+](=O)[O-])C(=O)c12)OC[*:1]
Cc1cc(OCC(N)=O)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 NC(=O)C[*:1] Cc1cc(cc2O/C(=C\c3cccc(c3)[N+](=O)[O-])C(=O)c12)O[*:1]
Cc1cc(OCC(N)=O)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 NC(=O)CO[*:1] Cc1cc(cc2O/C(=C\c3cccc(c3)[N+](=O)[O-])C(=O)c12)[*:1]
Cc1cc(OCC(N)=O)cc2c1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 O=[N+]([O-])[*:1] Cc1cc(cc2O/C(=C\c3cccc(c3)[*:1])C(=O)c12)OCC(N)=O
COC(=O)[C@H](CC(C)C)NCc1cc(F)cc(Br)c1 CC(C)[*:1] COC(=O)[C@H](C[*:1])NCc1cc(F)cc(Br)c1
COC(=O)[C@H](CC(C)C)NCc1cc(F)cc(Br)c1 CC(C)C[*:1] COC(=O)[C@H](NCc1cc(F)cc(Br)c1)[*:1]
COC(=O)[C@H](CC(C)C)NCc1cc(F)cc(Br)c1 COC(=O)[*:1] CC(C)C[C@H](NCc1cc(F)cc(Br)c1)[*:1]
Cc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(CC#N)c1 FC(F)(F)[*:1] Cc1ccc(cc1NC(=O)c1cccc(c1)CC#N)[*:1]
Cc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(CC#N)c1 N#CC[*:1] Cc1ccc(cc1NC(=O)c1cccc(c1)[*:1])C(F)(F)F
CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2 CC[C@H](C)[*:1] O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2OCCOc2c1)[*:1]
O=C([C@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1)N1CCCCCC1 O=C(N1CCCCCC1)[*:1] O=C1c2cccc(c2C(=O)N1C[C@@H]1CCCO1)N1CCC[C@@H](C1)[*:1]
O=C([C@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1)N1CCCCCC1 C1CO[C@@H](C1)C[*:1] O=C([C@H]1CCCN(C1)c1cccc2C(=O)N(C(=O)c21)[*:1])N1CCCCCC1
CC(C)[C@@H](CNC(=O)Cc1ccc(F)cc1F)C(=O)[O-] CC(C)[*:1] O=C(Cc1ccc(F)cc1F)NC[C@@H](C(=O)[O-])[*:1]
CC(C)[C@@H](CNC(=O)Cc1ccc(F)cc1F)C(=O)[O-] O=C([O-])[*:1] CC(C)[C@@H](CNC(=O)Cc1ccc(F)cc1F)[*:1]
Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)[C@@H](C)Cl)n1 Cc1cc(=O)[nH]c(n1)[*:1] C[C@@H](Cl)C(=O)Nc1cc(nn1[*:1])-c1ccco1
Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)[C@@H](C)Cl)n1 C[C@@H](Cl)C(=O)N[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1[*:1])-c1ccco1
Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)[C@@H](C)Cl)n1 c1coc(c1)[*:1] Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)[C@@H](C)Cl)[*:1]
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1 CC(C)NC(=O)CO[*:1] O=C(N/N=C/c1ccc(cc1)[*:1])c1ccncc1
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1 CC(C)[*:1] O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)N[*:1]
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1 CC(C)NC(=O)[*:1] O=C(N/N=C/c1ccc(cc1)OC[*:1])c1ccncc1
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[*:1])cc1
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1 CC(C)NC(=O)C[*:1] O=C(N/N=C/c1ccc(cc1)O[*:1])c1ccncc1
CN(c1ccccc1)[C@H]1CC(=O)N(c2cccc(O)c2)C1=O c1ccc(cc1)[*:1] CN([C@H]1CC(=O)N(C1=O)c1cccc(O)c1)[*:1]
CN(c1ccccc1)[C@H]1CC(=O)N(c2cccc(O)c2)C1=O Oc1cccc(c1)[*:1] CN(c1ccccc1)[C@H]1CC(=O)N(C1=O)[*:1]
Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(=O)C2CC2)CC3)cc1 Cc1ccc(cc1)[C@H](C)[*:1] O=C(C1CC1)N1CCc2c(O)nc(nc2C1)[C@H]1CCCCN1C(=O)[*:1]
Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(=O)C2CC2)CC3)cc1 Cc1ccc(cc1)[*:1] C[C@H](C(=O)N1CCCC[C@@H]1c1nc(O)c2CCN(Cc2n1)C(=O)C1CC1)[*:1]
Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(=O)C2CC2)CC3)cc1 C1CC1[*:1] Cc1ccc(cc1)[C@H](C)C(=O)N1CCCC[C@@H]1c1nc(O)c2CCN(Cc2n1)C(=O)[*:1]
N#C/C(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)=C(/[O-])N1CCCC1 FC(F)(F)C[*:1] N#C/C(C(=O)[C@H]1CC(=O)N(C1)[*:1])=C(/[O-])N1CCCC1
N#C/C(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)=C(/[O-])N1CCCC1 C1CCN(C1)[*:1] N#C/C(C(=O)[C@H]1CC(=O)N(C1)CC(F)(F)F)=C(/[O-])[*:1]
N#C/C(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)=C(/[O-])N1CCCC1 FC(F)(F)[*:1] N#C/C(C(=O)[C@H]1CC(=O)N(C1)C[*:1])=C(/[O-])N1CCCC1
Cc1ccc2[nH+]c(N(C)Cc3snnc3C)cc(C)c2c1 Cc1nnsc1C[*:1] Cc1ccc2[nH+]c(cc(C)c2c1)N(C)[*:1]
Cc1ccc2[nH+]c(N(C)Cc3snnc3C)cc(C)c2c1 Cc1nnsc1[*:1] Cc1ccc2[nH+]c(cc(C)c2c1)N(C)C[*:1]
Cc1ccc(OC(=O)c2ccc(NC(=O)C3CC3)s2)c([N+](=O)[O-])c1 O=C(N[*:1])C1CC1 Cc1ccc(OC(=O)c2ccc(s2)[*:1])c(c1)[N+](=O)[O-]
Cc1ccc(OC(=O)c2ccc(NC(=O)C3CC3)s2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(OC(=O)c2ccc(NC(=O)C3CC3)s2)c(c1)[*:1]
Cc1ccc(OC(=O)c2ccc(NC(=O)C3CC3)s2)c([N+](=O)[O-])c1 C1CC1[*:1] Cc1ccc(OC(=O)c2ccc(NC(=O)[*:1])s2)c(c1)[N+](=O)[O-]
Cc1ccc(NC2CCN(C(N)=O)CC2)cc1NC(=O)C[NH+]1CCCCC1 NC(=O)N1CCC(CC1)[*:1] Cc1ccc(cc1NC(=O)C[NH+]1CCCCC1)N[*:1]
C[C@@H](CNC(=O)N1CCCC[C@@H]1C1OCCO1)Oc1ccc(Cl)cc1 C1COC(O1)[*:1] C[C@@H](CNC(=O)N1CCCC[C@H]1[*:1])Oc1ccc(Cl)cc1
C[C@@H](CNC(=O)N1CCCC[C@@H]1C1OCCO1)Oc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@@H](CNC(=O)N1CCCC[C@@H]1C1OCCO1)O[*:1]
C[C@@H](CNC(=O)N1CCCC[C@@H]1C1OCCO1)Oc1ccc(Cl)cc1 Clc1ccc(cc1)O[*:1] C[C@@H](CNC(=O)N1CCCC[C@@H]1C1OCCO1)[*:1]
Cc1cnc(NC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)s1 Cc1cnc(s1)[*:1] Cc1cc(nc2c1c(=O)n(C)c(=O)n2C)C(=O)N[*:1]
Cc1ccccc1CC[NH2+]C[C@H](C#N)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1CC[NH2+]C[C@H](C#N)[*:1]
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/O)c1 Cc1cccc(c1)[*:1] O=C(COc1ccc(Cl)cc1/C=N/O)N[*:1]
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/O)c1 ON=C[*:1] Cc1cccc(c1)NC(=O)COc1ccc(Cl)cc1[*:1]
CC(C)c1ccc(OCCNC(=O)NCc2nnc3ccccn23)cc1 CC(C)[*:1] O=C(NCCOc1ccc(cc1)[*:1])NCc1nnc2ccccn12
CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)C2)cc1Cl CCC(C)(C)NC(=O)[*:1] CN1C[C@H](CC1=O)C(=O)Nc1ccc(c(Cl)c1)[*:1]
CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)C2)cc1Cl CCC(C)(C)[*:1] CN1C[C@H](CC1=O)C(=O)Nc1ccc(C(=O)N[*:1])c(Cl)c1
COc1ccc(CNCc2ncc(-c3ccc(Cl)cc3Cl)s2)cc1OC Clc1ccc(c(Cl)c1)[*:1] COc1ccc(cc1OC)CNCc1ncc(s1)[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)Sc1nccn1C Cn1ccnc1[*:1] CC(C)n1nccc1NC(=O)[C@H](C)S[*:1]
CC(C)n1nccc1NC(=O)[C@H](C)Sc1nccn1C CC(C)[*:1] C[C@H](Sc1nccn1C)C(=O)Nc1ccnn1[*:1]
O=C(Cc1ccccc1F)NNC(=O)NCc1ccccc1C[NH+]1CCCCC1 Fc1ccccc1[*:1] O=C(C[*:1])NNC(=O)NCc1ccccc1C[NH+]1CCCCC1
O=C(Cc1ccccc1F)NNC(=O)NCc1ccccc1C[NH+]1CCCCC1 Fc1ccccc1C[*:1] O=C(NCc1ccccc1C[NH+]1CCCCC1)NNC(=O)[*:1]
CCN(Cc1ccc2c(c1)OCO2)c1ccc(-c2nc(C)cc(=O)[nH]2)cn1 c1cc2OCOc2cc1[*:1] CCN(C[*:1])c1ccc(cn1)-c1nc(C)cc(=O)[nH]1
CCN(Cc1ccc2c(c1)OCO2)c1ccc(-c2nc(C)cc(=O)[nH]2)cn1 Cc1cc(=O)[nH]c(n1)[*:1] CCN(Cc1ccc2OCOc2c1)c1ccc(cn1)[*:1]
Cc1cc(C(=O)Nc2nc3c(s2)CN(CC(=O)N(C)c2ccccc2)CC3)no1 Cc1cc(no1)[*:1] CN(C(=O)CN1CCc2nc(NC(=O)[*:1])sc2C1)c1ccccc1
Cc1cc(C(=O)Nc2nc3c(s2)CN(CC(=O)N(C)c2ccccc2)CC3)no1 Cc1cc(no1)C(=O)N[*:1] CN(C(=O)CN1CCc2nc(sc2C1)[*:1])c1ccccc1
Cc1cc(C(=O)Nc2nc3c(s2)CN(CC(=O)N(C)c2ccccc2)CC3)no1 c1ccc(cc1)[*:1] Cc1cc(no1)C(=O)Nc1nc2CCN(CC(=O)N(C)[*:1])Cc2s1
C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)C1CCC1 C1CC(C1)[*:1] C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[*:1]
CC(C)(C)CNc1cccc(C(F)(F)F)c1 CC(C)(C)[*:1] FC(F)(F)c1cccc(c1)NC[*:1]
CC(C)(C)CNc1cccc(C(F)(F)F)c1 CC(C)(C)C[*:1] FC(F)(F)c1cccc(c1)N[*:1]
CC(C)(C)CNc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)(C)CNc1cccc(c1)[*:1]
Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc2ccccc2nc1Cl O=[N+]([O-])[*:1] Cc1cc(ccc1/N=C/c1cc2ccccc2nc1Cl)[*:1]
O=C(COC(=O)Cn1ccc(C(F)(F)F)n1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(COC(=O)Cn1ccc(n1)C(F)(F)F)N[*:1]
O=C(COC(=O)Cn1ccc(C(F)(F)F)n1)NC1CCCCC1 FC(F)(F)[*:1] O=C(COC(=O)Cn1ccc(n1)[*:1])NC1CCCCC1
CC1(C)CC(=O)C(/C=N/CCN2CCN([C@@H]3OC(=O)c4ccccc43)CC2)=C([O-])C1 O=C1O[C@H](c2ccccc21)[*:1] CC1(C)CC(=O)C(/C=N/CCN2CCN(CC2)[*:1])=C([O-])C1
CC(C)CNC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)n2nnnc2N1 CC(C)[*:1] O=C(NC[*:1])C1Nc2nnnn2[C@@H](C=1C(=O)c1ccccc1)c1ccccc1
CC(C)CNC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)n2nnnc2N1 O=C(c1ccccc1)[*:1] CC(C)CNC(=O)C1Nc2nnnn2[C@@H](C=1[*:1])c1ccccc1
CC(C)CNC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)n2nnnc2N1 c1ccc(cc1)[*:1] CC(C)CNC(=O)C1Nc2nnnn2[C@@H](C=1C(=O)[*:1])c1ccccc1
CC(C)CNC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)n2nnnc2N1 c1ccc(cc1)[*:1] CC(C)CNC(=O)C1Nc2nnnn2[C@H](C=1C(=O)c1ccccc1)[*:1]
CC(C)CNC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)n2nnnc2N1 CC(C)CNC(=O)[*:1] O=C(C1=C(Nc2nnnn2[C@@H]1c1ccccc1)[*:1])c1ccccc1
CC(C)CNC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)n2nnnc2N1 CC(C)C[*:1] O=C(N[*:1])C1Nc2nnnn2[C@@H](C=1C(=O)c1ccccc1)c1ccccc1
O[C@H](Cn1cnc2c(N3CCOCC3)ncnc21)c1ccc(F)cc1 C1CN(CCO1)[*:1] O[C@H](Cn1cnc2c(ncnc21)[*:1])c1ccc(F)cc1
O[C@H](Cn1cnc2c(N3CCOCC3)ncnc21)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O[C@H](Cn1cnc2c(ncnc21)N1CCOCC1)[*:1]
NS(=O)(=O)c1ccccc1-c1cc(NCc2cccnc2)nc2[nH]ccc12 c1cncc(c1)CN[*:1] NS(=O)(=O)c1ccccc1-c1cc(nc2[nH]ccc12)[*:1]
NS(=O)(=O)c1ccccc1-c1cc(NCc2cccnc2)nc2[nH]ccc12 c1cncc(c1)[*:1] NS(=O)(=O)c1ccccc1-c1cc(nc2[nH]ccc12)NC[*:1]
NS(=O)(=O)c1ccccc1-c1cc(NCc2cccnc2)nc2[nH]ccc12 NS(=O)(=O)[*:1] c1cncc(c1)CNc1cc(-c2ccccc2[*:1])c2cc[nH]c2n1
NS(=O)(=O)c1ccccc1-c1cc(NCc2cccnc2)nc2[nH]ccc12 c1cncc(c1)C[*:1] NS(=O)(=O)c1ccccc1-c1cc(nc2[nH]ccc12)N[*:1]
COCC(=O)N1CCN(C(=O)Nc2cccc(C)c2Cl)CC1 COC[*:1] Cc1cccc(NC(=O)N2CCN(CC2)C(=O)[*:1])c1Cl
O=C(Nc1ccccc1N1CCCCC1)C1CCC1 C1CC(C1)[*:1] O=C(Nc1ccccc1N1CCCCC1)[*:1]
O=C(Nc1ccccc1N1CCCCC1)C1CCC1 C1CCN(CC1)[*:1] O=C(Nc1ccccc1[*:1])C1CCC1
CCOc1ccc([C@H](C)NC(=O)[C@H](C)c2ccsc2)cc1 C[C@H](c1ccsc1)[*:1] CCOc1ccc(cc1)[C@H](C)NC(=O)[*:1]
CCOc1ccc([C@H](C)NC(=O)[C@H](C)c2ccsc2)cc1 CCO[*:1] C[C@H](NC(=O)[C@H](C)c1ccsc1)c1ccc(cc1)[*:1]
CCOc1ccc([C@H](C)NC(=O)[C@H](C)c2ccsc2)cc1 c1cc(cs1)[*:1] CCOc1ccc(cc1)[C@H](C)NC(=O)[C@H](C)[*:1]
CC(C)([C@@H]([NH3+])CCc1cccs1)N1CCOCC1 c1csc(c1)[*:1] CC(C)([C@@H]([NH3+])CC[*:1])N1CCOCC1
CC(C)([C@@H]([NH3+])CCc1cccs1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)([C@@H]([NH3+])CCc1cccs1)[*:1]
CC(C)([C@@H]([NH3+])CCc1cccs1)N1CCOCC1 c1csc(c1)C[*:1] CC(C)([C@@H]([NH3+])C[*:1])N1CCOCC1
Cc1ccc(F)cc1NC(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 Cc1ccc(F)cc1[*:1] C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N[*:1])C1
Cn1cc(-c2ccnc(/C=C/c3csc([N+](=O)[O-])c3)n2)cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)-c1ccnc(/C=C/c2csc(c2)[*:1])n1
Cn1cc(-c2ccnc(/C=C/c3csc([N+](=O)[O-])c3)n2)cn1 Cn1cc(cn1)[*:1] O=[N+]([O-])c1cc(/C=C/c2nccc(n2)[*:1])cs1
O=C1CCCN1c1ccccc1NS(=O)(=O)c1c(F)cc(F)cc1Br O=C1CCCN1[*:1] O=S(=O)(Nc1ccccc1[*:1])c1c(F)cc(F)cc1Br
CC(C)[C@@H](O)[C@@H](C)c1cccc(F)c1 CC(C)[*:1] C[C@@H](c1cccc(F)c1)[C@H](O)[*:1]
Cc1cncc(NC(=O)N[C@@H](C)COc2ccc(F)cc2)c1 Fc1ccc(cc1)[*:1] Cc1cncc(c1)NC(=O)N[C@@H](C)CO[*:1]
Cc1cncc(NC(=O)N[C@@H](C)COc2ccc(F)cc2)c1 Cc1cncc(c1)[*:1] C[C@@H](COc1ccc(F)cc1)NC(=O)N[*:1]
NC(=O)c1ccc(-n2cnc3ccccc32)cc1 NC(=O)[*:1] c1ccc2c(c1)ncn2-c1ccc(cc1)[*:1]
Cc1cc(C)n2cc(CS[C@H](C)c3cccs3)nc2n1 c1csc(c1)[*:1] Cc1cc(C)n2cc(CS[C@H](C)[*:1])nc2n1
COc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 COc1ccc(cc1)C[*:1] CN1C(=O)C(C)(C)c2cc(ccc21)S(=O)(=O)N1CCC[C@H]1C(=O)N[*:1]
COc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 COc1ccc(cc1)[*:1] CN1C(=O)C(C)(C)c2cc(ccc21)S(=O)(=O)N1CCC[C@H]1C(=O)NC[*:1]
C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc([N+](=O)[O-])cc1 CC(C)(C)[*:1] C[C@@H](Sc1nnc(-c2ccc(cc2)[*:1])n1N)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H](Sc1nnc(-c2ccc(cc2)C(C)(C)C)n1N)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc([N+](=O)[O-])cc1 CC(C)(C)c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(n1N)[*:1])C(=O)Nc1ccc(cc1)[N+](=O)[O-]
C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc([N+](=O)[O-])cc1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@H](Sc1nnc(-c2ccc(cc2)C(C)(C)C)n1N)C(=O)N[*:1]
CCOC(=O)c1sc(NC(=O)N2CCSC[C@@H]2C)c(C(=O)OCC)c1C CCOC(=O)[*:1] CCOC(=O)c1c(NC(=O)N2CCSC[C@@H]2C)sc(c1C)[*:1]
CCOC(=O)c1sc(NC(=O)N2CCSC[C@@H]2C)c(C(=O)OCC)c1C CCOC(=O)[*:1] CCOC(=O)c1sc(NC(=O)N2CCSC[C@@H]2C)c(c1C)[*:1]
CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2ccccc2Br)C1 NC(=O)[*:1] CCC[NH2+][C@]1(CCC[C@@H](C1)Sc1ccccc1Br)[*:1]
CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2ccccc2Br)C1 Brc1ccccc1[*:1] CCC[NH2+][C@]1(CCC[C@@H](C1)S[*:1])C(N)=O
CCC[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2ccccc2Br)C1 CCC[*:1] NC(=O)[C@@]1(CCC[C@@H](C1)Sc1ccccc1Br)[NH2+][*:1]
CC[C@@H](Sc1ccccc1)C(=O)N1CCN(C(=O)CO)CC1 c1ccc(cc1)[*:1] CC[C@@H](S[*:1])C(=O)N1CCN(CC1)C(=O)CO
CC[C@@H](Sc1ccccc1)C(=O)N1CCN(C(=O)CO)CC1 c1ccc(cc1)S[*:1] CC[C@@H](C(=O)N1CCN(CC1)C(=O)CO)[*:1]
C[NH+](C)[C@@H](CNC(=O)c1ccnc(Cl)c1)C1CC1 C1CC1[*:1] C[NH+](C)[C@@H](CNC(=O)c1ccnc(Cl)c1)[*:1]
CC(C)c1ccc([C@@H]2C[C@H]2[C@@H](C)[NH3+])cc1 CC(C)[*:1] C[C@@H]([NH3+])[C@@H]1C[C@H]1c1ccc(cc1)[*:1]
CCNc1cc(C)ccc1C(=O)N[C@H](C)c1ccco1 CCN[*:1] Cc1ccc(C(=O)N[C@H](C)c2ccco2)c(c1)[*:1]
CCNc1cc(C)ccc1C(=O)N[C@H](C)c1ccco1 c1coc(c1)[*:1] CCNc1cc(C)ccc1C(=O)N[C@H](C)[*:1]
CCOC(=O)c1ccc(NC(=O)c2c(C)cccc2C)c(O)c1 CCOC(=O)[*:1] Cc1cccc(C)c1C(=O)Nc1ccc(cc1O)[*:1]
O=C([C@H]1CCCO1)N1CCOC2(CCCC2)C1 C1CO[C@H](C1)[*:1] O=C(N1CCOC2(CCCC2)C1)[*:1]
O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@H]1C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@H]1C[C@H]1[*:1]
CC[C@H]1CN(CC(=O)NC2CC2)c2ccccc2O1 O=C(NC1CC1)[*:1] CC[C@H]1CN(C[*:1])c2ccccc2O1
CC[C@H]1CN(CC(=O)NC2CC2)c2ccccc2O1 C1CC1[*:1] CC[C@H]1CN(CC(=O)N[*:1])c2ccccc2O1
C[C@H]1CN(C(=O)Nc2ccccc2C(C)(C)C)C[C@H](C)O1 CC(C)(C)[*:1] C[C@H]1CN(C[C@H](C)O1)C(=O)Nc1ccccc1[*:1]
Cc1cc(C(=O)CN2CCO[C@H](c3ccccc3)C2)c(C)n1C1CC1 c1ccc(cc1)[*:1] Cc1cc(C(=O)CN2CCO[C@H](C2)[*:1])c(C)n1C1CC1
Cc1cc(C(=O)CN2CCO[C@H](c3ccccc3)C2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)CN2CCO[C@@H](C2)c2ccccc2)c(C)n1[*:1]
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)/C=C/c1ccc([N-]S(C)(=O)=O)cc1 CC(C)[*:1] C[C@@H]1CC[C@H]([C@@H](C1)NC(=O)/C=C/c1ccc(cc1)[N-]S(C)(=O)=O)[*:1]
CC(C)(C)OC(=O)c1cccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c1 CC(C)(C)OC(=O)[*:1] O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(c1)[*:1]
CC(C)(C)OC(=O)c1cccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(c1)C(=O)O[*:1]
CC(C)(C)OC(=O)c1cccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c1 c1ccc(cc1)[*:1] CC(C)(C)OC(=O)c1cccc(c1)C(=O)NC[C@@H]1CCO[C@@H]1[*:1]
CC(C)Cn1nccc1NC(=O)CCC(=O)N1CCOCC1 CC(C)C[*:1] O=C(CCC(=O)N1CCOCC1)Nc1ccnn1[*:1]
CC(C)Cn1nccc1NC(=O)CCC(=O)N1CCOCC1 CC(C)[*:1] O=C(CCC(=O)N1CCOCC1)Nc1ccnn1C[*:1]
CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccnn1C(C)C CCS[*:1] CC(C)n1nccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1[*:1]
CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccnn1C(C)C CC(C)[*:1] CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccnn1[*:1]
CS(=O)(=O)c1cc(F)ccc1N1CCC[C@@H](C(=O)[O-])C1 CS(=O)(=O)[*:1] O=C([O-])[C@@H]1CCCN(C1)c1ccc(F)cc1[*:1]
CS(=O)(=O)c1cc(F)ccc1N1CCC[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CS(=O)(=O)c1cc(F)ccc1N1CCC[C@@H](C1)[*:1]
CC(C)[C@@H](NC(=O)N1CC[C@H](C)[C@@H](O)C1)c1ccccc1 CC(C)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)N[C@@H](c1ccccc1)[*:1]
CC(C)[C@@H](NC(=O)N1CC[C@H](C)[C@@H](O)C1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N1CC[C@H](C)[C@@H](O)C1)[*:1]
COC(=O)Cn1c(C[NH+]2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C COC(=O)C[*:1] Cn1c(=O)c2c(nc(C[NH+]3CCC(CC3)Cc3ccccc3)n2[*:1])n(C)c1=O
COC(=O)Cn1c(C[NH+]2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C COC(=O)[*:1] Cn1c(=O)c2c(nc(C[NH+]3CCC(CC3)Cc3ccccc3)n2C[*:1])n(C)c1=O
COC(=O)Cn1c(C[NH+]2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C c1ccc(cc1)C[*:1] COC(=O)Cn1c(C[NH+]2CCC(CC2)[*:1])nc2c1c(=O)n(C)c(=O)n2C
COC(=O)Cn1c(C[NH+]2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C c1ccc(cc1)[*:1] COC(=O)Cn1c(C[NH+]2CCC(CC2)C[*:1])nc2c1c(=O)n(C)c(=O)n2C
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 C1CC1[*:1] CS(=O)(=O)[C@@H]1CCC[C@@H](C1)NC(=O)[C@@H]1CCCN1C(=O)[*:1]
CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 CS(=O)(=O)[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])[C@@H]1CCCN1C(=O)C1CC1
C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(OCC(N)=O)cc1 NC(=O)[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(cc1)OC[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(OCC(N)=O)cc1 NC(=O)C[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(cc1)O[*:1]
C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(OCC(N)=O)cc1 NC(=O)CO[*:1] C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(cc1)[*:1]
COc1ccc(C[C@H](C)[NH2+]Cc2nc(C)sc2C)cc1OC Cc1nc(c(C)s1)[*:1] COc1ccc(cc1OC)C[C@H](C)[NH2+]C[*:1]
CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1snnc1C)CC2 Cc1nnsc1[*:1] CCNC(=O)c1nn(Cc2cccc(c2)OC)c2CCN(Cc12)C(=O)[*:1]
CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1snnc1C)CC2 COc1cccc(c1)C[*:1] CCNC(=O)c1nn(c2CCN(Cc12)C(=O)c1snnc1C)[*:1]
CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1snnc1C)CC2 CCNC(=O)[*:1] COc1cccc(c1)Cn1nc(c2CN(CCc21)C(=O)c1snnc1C)[*:1]
CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1snnc1C)CC2 COc1cccc(c1)[*:1] CCNC(=O)c1nn(C[*:1])c2CCN(Cc12)C(=O)c1snnc1C
C[C@H](CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1cccs1 C[C@H](c1cccs1)[*:1] O=C(NC[*:1])C1=CC=CN2CCS(=O)(=O)N=C12
C[C@H](CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)[*:1]
NC(=O)CC1CC[NH+](CCOc2cccc(Cl)c2)CC1 NC(=O)C[*:1] Clc1cccc(c1)OCC[NH+]1CCC(CC1)[*:1]
NC(=O)CC1CC[NH+](CCOc2cccc(Cl)c2)CC1 NC(=O)[*:1] Clc1cccc(c1)OCC[NH+]1CCC(CC1)C[*:1]
C[C@@H]1COCCN1C(=O)NCCC1CCCCC1 C1CCC(CC1)[*:1] C[C@@H]1COCCN1C(=O)NCC[*:1]
COCCNC(=O)CN[C@H]1CCCc2ccccc21 COC[*:1] O=C(CN[C@H]1CCCc2ccccc21)NC[*:1]
COCCNC(=O)CN[C@H]1CCCc2ccccc21 COCC[*:1] O=C(CN[C@H]1CCCc2ccccc21)N[*:1]
COCCNc1c(F)cc([N+](=O)[O-])c(N)c1Br COCC[*:1] Nc1c(cc(F)c(N[*:1])c1Br)[N+](=O)[O-]
COCCNc1c(F)cc([N+](=O)[O-])c(N)c1Br O=[N+]([O-])[*:1] COCCNc1c(F)cc(c(N)c1Br)[*:1]
COCCNc1c(F)cc([N+](=O)[O-])c(N)c1Br COC[*:1] Nc1c(cc(F)c(NC[*:1])c1Br)[N+](=O)[O-]
COCCNc1c(F)cc([N+](=O)[O-])c(N)c1Br COCCN[*:1] Nc1c(cc(F)c(c1Br)[*:1])[N+](=O)[O-]
CC(C)CN(c1ccccc1/C=C/C(=O)[O-])C1CCCC1 O=C([O-])C=C[*:1] CC(C)CN(c1ccccc1[*:1])C1CCCC1
CC(C)CN(c1ccccc1/C=C/C(=O)[O-])C1CCCC1 CC(C)[*:1] O=C([O-])/C=C/c1ccccc1N(C[*:1])C1CCCC1
CC(C)CN(c1ccccc1/C=C/C(=O)[O-])C1CCCC1 CC(C)C[*:1] O=C([O-])/C=C/c1ccccc1N(C1CCCC1)[*:1]
CC(C)CN(c1ccccc1/C=C/C(=O)[O-])C1CCCC1 O=C([O-])[*:1] CC(C)CN(c1ccccc1C=C[*:1])C1CCCC1
CC(C)CN(c1ccccc1/C=C/C(=O)[O-])C1CCCC1 C1CCC(C1)[*:1] CC(C)CN(c1ccccc1/C=C/C(=O)[O-])[*:1]
CC[C@@H](C)CN(C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC[C@@H](C)C[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)N(C)[*:1]
CC[C@@H](C)CN(C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC[C@@H](C)CN(C)C(=O)Nc1ccc(F)c(c1)[*:1]
CC[C@@H](C)CN(C)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 CC[C@@H](C)[*:1] CN(C)C(=O)c1cc(ccc1F)NC(=O)N(C)C[*:1]
COc1ccc(-c2nnc(S[C@H]3CCOC3=O)n2-c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C1OCC[C@@H]1Sc1nnc(n1-c1ccccc1)[*:1]
COc1ccc(-c2nnc(S[C@H]3CCOC3=O)n2-c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nnc(S[C@H]2CCOC2=O)n1[*:1]
CSc1nc([O-])c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1C#N C1CC(C1)[*:1] CSc1nc([O-])c(cc1C#N)C(=O)Nc1ccc2nc([nH]c2c1)[*:1]
COC(=O)[C@H]1[C@@H](NC(=S)NC[C@@H]2C=CN=N2)S[C@@H](C)[C@H]1C COC(=O)[*:1] C[C@@H]1S[C@H](NC(=S)NC[C@@H]2C=CN=N2)[C@@H]([C@@H]1C)[*:1]
COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@H]([C@H]5ON=C(c6ccc(OC)cc6OC)[C@H]45)[C@H]3C2=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(C2=NO[C@H]3[C@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(C(=O)[C@@H]23)[*:1])c(c1)OC
COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@H]([C@H]5ON=C(c6ccc(OC)cc6OC)[C@H]45)[C@H]3C2=O)cc1 COc1ccc(c(c1)OC)[*:1] COc1ccc(cc1)N1C(=O)[C@H]2[C@H]3C[C@H]([C@H]4ON=C([C@H]34)[*:1])[C@H]2C1=O
Cc1sc(NC(=O)c2ccccc2)c(C(N)=O)c1C c1ccc(cc1)[*:1] Cc1sc(NC(=O)[*:1])c(C(N)=O)c1C
Cc1sc(NC(=O)c2ccccc2)c(C(N)=O)c1C NC(=O)[*:1] Cc1sc(NC(=O)c2ccccc2)c(c1C)[*:1]
C[C@@H]1CCCC[C@H]1OCCNC(=O)Cc1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] C[C@@H]1CCCC[C@H]1OCCNC(=O)Cc1ccc(cc1)[*:1]
CC(C)C[NH+]1CCC(NC(=O)Cn2nc3n(c2=O)CCCCC3)CC1 CC(C)C[*:1] O=C(Cn1nc2CCCCCn2c1=O)NC1CC[NH+](CC1)[*:1]
CC(C)C[NH+]1CCC(NC(=O)Cn2nc3n(c2=O)CCCCC3)CC1 CC(C)[*:1] O=C(Cn1nc2CCCCCn2c1=O)NC1CC[NH+](CC1)C[*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H](OCC2CC2)C1 C1CC1CO[*:1] CC(C)[NH2+][C@]1(CCC[C@H](C1)[*:1])C(N)=O
CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H](OCC2CC2)C1 C1CC1[*:1] CC(C)[NH2+][C@]1(CCC[C@@H](C1)OC[*:1])C(N)=O
CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H](OCC2CC2)C1 C1CC1C[*:1] CC(C)[NH2+][C@]1(CCC[C@@H](C1)O[*:1])C(N)=O
CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H](OCC2CC2)C1 CC(C)[*:1] NC(=O)[C@@]1(CCC[C@@H](C1)OCC1CC1)[NH2+][*:1]
CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H](OCC2CC2)C1 NC(=O)[*:1] CC(C)[NH2+][C@]1(CCC[C@@H](C1)OCC1CC1)[*:1]
COC(=O)Nc1ccc(NCc2c(Cl)cccc2N2CCCC2)cc1 C1CCN(C1)[*:1] COC(=O)Nc1ccc(cc1)NCc1c(Cl)cccc1[*:1]
COC(=O)Nc1ccc(NCc2c(Cl)cccc2N2CCCC2)cc1 COC(=O)N[*:1] Clc1cccc(c1CNc1ccc(cc1)[*:1])N1CCCC1
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)cc1 COC(=O)[*:1] Cc1[nH]nc2cc(ccc12)[N-]S(=O)(=O)c1ccc(cc1)[*:1]
CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)[*:1]
COc1ccc(NC(=O)N[C@H](C)c2ccc(C)cc2)cc1 Cc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)N[C@H](C)[*:1]
O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCOCC1 O=C(N1CCOCC1)[*:1] O=c1[nH]c2ccccc2n1C1CC[NH+](CC1)C[*:1]
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3[n+](CCC[NH+](C)C)c2N)cc1 Cc1ccc(cc1)[*:1] Cc1cccn2c(=O)c3cc(c(N)[n+](CCC[NH+](C)C)c3nc12)S(=O)(=O)[*:1]
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3[n+](CCC[NH+](C)C)c2N)cc1 Cc1ccc(cc1)S(=O)(=O)[*:1] Cc1cccn2c(=O)c3cc(c(N)[n+](CCC[NH+](C)C)c3nc12)[*:1]
CNC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1Cl CNC(=O)[*:1] O=C(Nc1ccc(c(Cl)c1)[*:1])N1CCN(CC1)C(=O)c1ccco1
CNC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1Cl c1coc(c1)[*:1] CNC(=O)c1ccc(cc1Cl)NC(=O)N1CCN(CC1)C(=O)[*:1]
O=C1C[C@@H](c2ccc3c(c2)OCO3)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 c1cc2OCOc2cc1[*:1] O=C1C[C@@H](CC2Nc3ccccc3N[C@H](C=21)c1cccnc1)[*:1]
O=C1C[C@@H](c2ccc3c(c2)OCO3)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 c1cncc(c1)[*:1] O=C1C[C@H](CC2Nc3ccccc3N[C@@H](C=21)[*:1])c1ccc2OCOc2c1
Cc1ccc(-c2nc(CNc3nc(N)c(C)c[nH+]3)[nH]c2-c2ccccn2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)-c1nc(CNc2nc(N)c(C)c[nH+]2)[nH]c1[*:1]
Cc1ccc(-c2nc(CNc3nc(N)c(C)c[nH+]3)[nH]c2-c2ccccn2)cc1 Cc1ccc(cc1)[*:1] Cc1c[nH+]c(nc1N)NCc1nc(c([nH]1)-c1ccccn1)[*:1]
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1Br Cc1ccc(cc1C)[*:1] COc1ccc(/C=C2/SC(=O)N(CC(=O)N[*:1])C2=O)cc1Br
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1Br COc1ccc(cc1Br)[*:1] Cc1ccc(cc1C)NC(=O)CN1C(=O)SC(=C[*:1])C1=O
O=C(CN1C(=O)NC2(CCCC2)C1=O)N(CCc1ccccc1)Cc1cccs1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)N(Cc1cccs1)C[*:1]
O=C(CN1C(=O)NC2(CCCC2)C1=O)N(CCc1ccccc1)Cc1cccs1 c1ccc(cc1)[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)N(CC[*:1])Cc1cccs1
O=C(CN1C(=O)NC2(CCCC2)C1=O)N(CCc1ccccc1)Cc1cccs1 c1csc(c1)[*:1] O=C(CN1C(=O)NC2(CCCC2)C1=O)N(CCc1ccccc1)C[*:1]
O=C(CN1C(=O)NC2(CCCC2)C1=O)N(CCc1ccccc1)Cc1cccs1 c1ccc(cc1)CC[*:1] O=C1NC2(CCCC2)C(=O)N1CC(=O)N(Cc1cccs1)[*:1]
O=C(CN1C(=O)NC2(CCCC2)C1=O)N(CCc1ccccc1)Cc1cccs1 c1csc(c1)C[*:1] O=C1NC2(CCCC2)C(=O)N1CC(=O)N(CCc1ccccc1)[*:1]
O=C(NC[C@@H](O)CO)Nc1cc(-c2ccccc2)on1 OC[C@H](O)[*:1] O=C(NC[*:1])Nc1cc(on1)-c1ccccc1
O=C(NC[C@@H](O)CO)Nc1cc(-c2ccccc2)on1 OC[C@H](O)C[*:1] O=C(Nc1cc(on1)-c1ccccc1)N[*:1]
O=C(NC[C@@H](O)CO)Nc1cc(-c2ccccc2)on1 c1ccc(cc1)[*:1] O=C(NC[C@@H](O)CO)Nc1cc(on1)[*:1]
C[C@@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)c1ccccc1Br Brc1ccccc1[*:1] C[C@@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)[*:1]
Cc1ccc2c(c1)C(=O)N(CCCC(=O)N[C@H](c1ccccc1)c1nccn1C)C2=O c1ccc(cc1)[*:1] Cc1ccc2C(=O)N(CCCC(=O)N[C@H](c3nccn3C)[*:1])C(=O)c2c1
Cc1ccc2c(c1)C(=O)N(CCCC(=O)N[C@H](c1ccccc1)c1nccn1C)C2=O Cn1ccnc1[*:1] Cc1ccc2C(=O)N(CCCC(=O)N[C@H](c3ccccc3)[*:1])C(=O)c2c1
Cc1cn2c(=O)c(C(=O)NCCCOCc3ccco3)cnc2s1 c1coc(c1)COC[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NCC[*:1]
Cc1cn2c(=O)c(C(=O)NCCCOCc3ccco3)cnc2s1 c1coc(c1)[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NCCCOC[*:1]
Cc1cn2c(=O)c(C(=O)NCCCOCc3ccco3)cnc2s1 c1coc(c1)CO[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NCCC[*:1]
Cc1cn2c(=O)c(C(=O)NCCCOCc3ccco3)cnc2s1 c1coc(c1)C[*:1] Cc1cn2c(=O)c(cnc2s1)C(=O)NCCCO[*:1]
COc1ccncc1NC(=O)CN(CCc1ccccc1)C(C)=O c1ccc(cc1)CC[*:1] COc1ccncc1NC(=O)CN(C(C)=O)[*:1]
COc1ccncc1NC(=O)CN(CCc1ccccc1)C(C)=O COc1ccncc1[*:1] CC(=O)N(CCc1ccccc1)CC(=O)N[*:1]
COc1ccncc1NC(=O)CN(CCc1ccccc1)C(C)=O c1ccc(cc1)[*:1] COc1ccncc1NC(=O)CN(CC[*:1])C(C)=O
COc1ccncc1NC(=O)CN(CCc1ccccc1)C(C)=O c1ccc(cc1)C[*:1] COc1ccncc1NC(=O)CN(C[*:1])C(C)=O
CCC(CC)[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O CS(=O)(=O)N[*:1] CCC(CC)[NH2+]C[C@@H]1CCC[C@@H]1[*:1]
CCC(CC)[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O CCC(CC)[*:1] CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+][*:1]
Cc1c(C(=O)Nc2ccc(Br)nc2)cnn1C(C)C CC(C)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1ccc(Br)nc1
Cc1cc(C)n(-c2ccc(NCC[S@@](=O)Cc3ccccc3)nn2)n1 Cc1cc(C)n(n1)[*:1] O=[S@](CCNc1ccc(nn1)[*:1])Cc1ccccc1
Cc1cc(C)n(-c2ccc(NCC[S@@](=O)Cc3ccccc3)nn2)n1 c1ccc(cc1)C[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)NCC[S@@](=O)[*:1]
Cc1cc(C)n(-c2ccc(NCC[S@@](=O)Cc3ccccc3)nn2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1ccc(nn1)NCC[S@@](=O)C[*:1]
CCOC(=O)C1(c2nc3c(C)cccc3s2)CC1 CCOC(=O)[*:1] Cc1cccc2sc(nc12)C1(CC1)[*:1]
Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@H](O)C3)CC2)c1 Cc1cccc(c1)[*:1] O=C(CC[NH+]1CCN(CC1)[*:1])N1CC[C@H](O)C1
O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CC[NH+](CC2CC2)CC1 C1CO[C@@H](C1)[*:1] O=C(N[C@@H](c1ccc(F)cc1)[*:1])N1CC[NH+](CC1)CC1CC1
O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CC[NH+](CC2CC2)CC1 Fc1ccc(cc1)[*:1] O=C(N[C@@H]([C@@H]1CCCO1)[*:1])N1CC[NH+](CC1)CC1CC1
O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CC[NH+](CC1)C[*:1]
O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CC[NH+](CC1)[*:1]
O=C(CCc1ccccc1)N1CCCN(S(=O)(=O)CCC2CC2)CC1 c1ccc(cc1)CC[*:1] O=C(N1CCCN(CC1)S(=O)(=O)CCC1CC1)[*:1]
O=C(CCc1ccccc1)N1CCCN(S(=O)(=O)CCC2CC2)CC1 C1CC1CC[*:1] O=C(CCc1ccccc1)N1CCCN(CC1)S(=O)(=O)[*:1]
O=C(CCc1ccccc1)N1CCCN(S(=O)(=O)CCC2CC2)CC1 c1ccc(cc1)[*:1] O=C(CC[*:1])N1CCCN(CC1)S(=O)(=O)CCC1CC1
O=C(CCc1ccccc1)N1CCCN(S(=O)(=O)CCC2CC2)CC1 C1CC1C[*:1] O=C(CCc1ccccc1)N1CCCN(CC1)S(=O)(=O)C[*:1]
O=C(CCc1ccccc1)N1CCCN(S(=O)(=O)CCC2CC2)CC1 C1CC1[*:1] O=C(CCc1ccccc1)N1CCCN(CC1)S(=O)(=O)CC[*:1]
O=C(CCc1ccccc1)N1CCCN(S(=O)(=O)CCC2CC2)CC1 c1ccc(cc1)C[*:1] O=C(C[*:1])N1CCCN(CC1)S(=O)(=O)CCC1CC1
C[C@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1)C(=O)NCc1ccccc1 N#CCc1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)N[*:1])C(=O)NCc1ccccc1
C[C@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)CC#N)C(=O)NC[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1)C(=O)NCc1ccccc1 N#CC[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)[*:1])C(=O)NCc1ccccc1
C[C@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(cc1)CC#N)C(=O)N[*:1]
Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+]C1CCSCC1 C1CC(CCS1)[*:1] Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+][*:1]
O=C(NCCO)/C(=C\c1ccsc1)NC(=O)c1ccccc1 c1cc(cs1)[*:1] O=C(NCCO)C(=C[*:1])NC(=O)c1ccccc1
O=C(NCCO)/C(=C\c1ccsc1)NC(=O)c1ccccc1 OCC[*:1] O=C(N[*:1])/C(=C\c1ccsc1)NC(=O)c1ccccc1
O=C(NCCO)/C(=C\c1ccsc1)NC(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCO)/C(=C\c1ccsc1)NC(=O)[*:1]
O=C(NCCO)/C(=C\c1ccsc1)NC(=O)c1ccccc1 O=C(NCCO)[*:1] O=C(N/C(=C/c1ccsc1)[*:1])c1ccccc1
C[C@H](CCCO)NC(=O)c1c[nH+]cc([O-])c1 OCC[*:1] C[C@H](C[*:1])NC(=O)c1c[nH+]cc([O-])c1
C[C@H](CCCO)NC(=O)c1c[nH+]cc([O-])c1 OCCC[*:1] C[C@H](NC(=O)c1c[nH+]cc([O-])c1)[*:1]
COc1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2OC2CCCC2)cc1NC(C)=O C1CCC(C1)O[*:1] COc1ccc(cc1NC(C)=O)[C@@H](C)[NH2+][C@H]1CCCC[C@H]1[*:1]
COc1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2OC2CCCC2)cc1NC(C)=O C1CCC(C1)[*:1] COc1ccc(cc1NC(C)=O)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1O[*:1]
COc1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2OC2CCCC2)cc1NC(C)=O CC(=O)N[*:1] COc1ccc(cc1[*:1])[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1OC1CCCC1
CNC(=O)c1ccc(N(CCC(=O)[O-])C2CC2)[nH+]n1 O=C([O-])[*:1] CNC(=O)c1ccc([nH+]n1)N(CC[*:1])C1CC1
CNC(=O)c1ccc(N(CCC(=O)[O-])C2CC2)[nH+]n1 CNC(=O)[*:1] O=C([O-])CCN(c1ccc(n[nH+]1)[*:1])C1CC1
CNC(=O)c1ccc(N(CCC(=O)[O-])C2CC2)[nH+]n1 C1CC1[*:1] CNC(=O)c1ccc([nH+]n1)N(CCC(=O)[O-])[*:1]
CNC(=O)c1ccc(N(CCC(=O)[O-])C2CC2)[nH+]n1 O=C([O-])CC[*:1] CNC(=O)c1ccc([nH+]n1)N(C1CC1)[*:1]
CNC(=O)c1ccc(N(CCC(=O)[O-])C2CC2)[nH+]n1 O=C([O-])C[*:1] CNC(=O)c1ccc([nH+]n1)N(C[*:1])C1CC1
CCNc1cc[nH+]c(CN2CC[C@H]3CCCC[C@@H]3C2)c1 CCN[*:1] c1cc(cc(CN2CC[C@H]3CCCC[C@@H]3C2)[nH+]1)[*:1]
CCc1cc(N(CC2CC[NH2+]CC2)C(C)C)nc(C)[nH+]1 CC(C)[*:1] CCc1cc(nc(C)[nH+]1)N(CC1CC[NH2+]CC1)[*:1]
C[C@H]1C[C@@H](NC(=O)c2sccc2C2CC2)CN1c1ccccc1 C1CC1[*:1] C[C@H]1C[C@H](CN1c1ccccc1)NC(=O)c1sccc1[*:1]
C[C@H]1C[C@@H](NC(=O)c2sccc2C2CC2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1[*:1])NC(=O)c1sccc1C1CC1
O=C(CSc1nnc(-c2ccccc2)o1)N1CCC[C@H]2CCCC[C@@H]21 c1ccc(cc1)[*:1] O=C(CSc1nnc(o1)[*:1])N1CCC[C@H]2CCCC[C@@H]21
CCC1(CC)[C@H]([NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@H]1OC NS(=O)(=O)[*:1] CCC1(CC)[C@@H](C[C@H]1OC)[NH2+][C@@H](C)c1ccc(cc1)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)NCc1noc2ccccc12 C[C@H]1CCCC[C@@H]1[*:1] O=C(NCc1noc2ccccc12)N[*:1]
C=C(Cl)CN1C[C@@H](c2ccccc2C)OC[C@H]1C C=C(Cl)C[*:1] Cc1ccccc1[C@@H]1CN([C@H](C)CO1)[*:1]
C=C(Cl)CN1C[C@@H](c2ccccc2C)OC[C@H]1C C=C(Cl)[*:1] Cc1ccccc1[C@@H]1CN(C[*:1])[C@H](C)CO1
O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CSc1nc(=O)n(Cc2ccco2)c2CCCc12)NC[*:1]
O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)NCc1ccc(F)cc1 c1coc(c1)C[*:1] O=C(CSc1nc(=O)n(c2CCCc12)[*:1])NCc1ccc(F)cc1
O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] O=C(CSc1nc(=O)n(Cc2ccco2)c2CCCc12)N[*:1]
O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)NCc1ccc(F)cc1 c1coc(c1)[*:1] O=C(CSc1nc(=O)n(C[*:1])c2CCCc12)NCc1ccc(F)cc1
C/C(=C/C(=O)N(C)C1CCS(=O)CC1)c1ccccc1Cl Clc1ccccc1[*:1] CC(=CC(=O)N(C)C1CCS(=O)CC1)[*:1]
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 O=S(=O)(N1CCCCCC1)[*:1] COc1ccc(cc1NC(=O)c1cccc(c1)-c1nnn[n-]1)[*:1]
C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1 C=CC[*:1] COc1ccc(cc1OC)[C@H]1NC(=S)NC(C)=C1C(=O)O[*:1]
C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1 C=CCOC(=O)[*:1] COc1ccc(cc1OC)[C@H]1NC(=S)NC(C)=C1[*:1]
O=C1C[C@H](C(=O)NCc2ccnc(OC3CCC3)c2)c2ccc(F)cc2N1 C1CC(C1)O[*:1] O=C1C[C@H](C(=O)NCc2ccnc(c2)[*:1])c2ccc(F)cc2N1
O=C1C[C@H](C(=O)NCc2ccnc(OC3CCC3)c2)c2ccc(F)cc2N1 C1CC(C1)[*:1] O=C1C[C@H](C(=O)NCc2ccnc(c2)O[*:1])c2ccc(F)cc2N1
CCNC(=O)C1CCN(C(=O)Nc2cccc(Cl)c2N(C)C)CC1 CCNC(=O)[*:1] CN(C)c1c(Cl)cccc1NC(=O)N1CCC(CC1)[*:1]
CCNC(=O)C1CCN(C(=O)Nc2cccc(Cl)c2N(C)C)CC1 CN(C)[*:1] CCNC(=O)C1CCN(CC1)C(=O)Nc1cccc(Cl)c1[*:1]
COc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc(Cl)cc2)n(C)c(=O)n3C)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)n(C)c2cc(S[*:1])c(cc21)[N-]S(=O)(=O)c1ccc(Cl)cc1
COc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc(Cl)cc2)n(C)c(=O)n3C)cc1 COc1ccc(cc1)S[*:1] Cn1c(=O)n(C)c2cc(c(cc21)[N-]S(=O)(=O)c1ccc(Cl)cc1)[*:1]
COc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc(Cl)cc2)n(C)c(=O)n3C)cc1 Clc1ccc(cc1)[*:1] COc1ccc(cc1)Sc1cc2c(cc1[N-]S(=O)(=O)[*:1])n(C)c(=O)n2C
CC(=O)c1c[nH]c(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 CC(=O)[*:1] O=C(Nc1ccc(cc1)-c1cc[nH]n1)c1cc(c[nH]1)[*:1]
CC(=O)c1c[nH]c(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 c1cc(n[nH]1)[*:1] CC(=O)c1c[nH]c(c1)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H]1C[C@](C[NH3+])(N(C)C2CC2)CS1 C1CC1[*:1] C[C@@H]1C[C@@](C[NH3+])(CS1)N(C)[*:1]
CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 CC(C)[*:1] CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1[*:1])c1ccccc1
CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 c1ccc(cc1)[*:1] CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)[*:1]
O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)N1CCc2cc(F)ccc2C1 Fc1ccc(cc1)[*:1] O=C(Nc1cccn(C[*:1])c1=O)N1CCc2cc(F)ccc2C1
O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)N1CCc2cc(F)ccc2C1 Fc1ccc(cc1)C[*:1] O=C(Nc1cccn(c1=O)[*:1])N1CCc2cc(F)ccc2C1
Cc1nn(-c2ccccc2)c(C)c1Nc1ncc(Br)cn1 c1ccc(cc1)[*:1] Cc1nn(c(C)c1Nc1ncc(Br)cn1)[*:1]
Cc1nn(-c2ccccc2)c(C)c1Nc1ncc(Br)cn1 Brc1cnc(nc1)[*:1] Cc1nn(-c2ccccc2)c(C)c1N[*:1]
Cc1nnc(SCC(=O)N[C@H]2CCC[C@H](C)C2)n1Cc1ccccc1 c1ccc(cc1)[*:1] Cc1nnc(SCC(=O)N[C@H]2CCC[C@H](C)C2)n1C[*:1]
Cc1nnc(SCC(=O)N[C@H]2CCC[C@H](C)C2)n1Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1nnc(SCC(=O)N[C@H]2CCC[C@H](C)C2)n1[*:1]
CC[C@@H](CNC(=O)N1CCOC[C@@H]1C)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] CC[C@@H](CNC(=O)N1CCOC[C@@H]1C)O[*:1]
Cc1noc([C@@H]2CCCN(C(=O)c3cccc4cc[nH]c34)C2)n1 Cc1noc(n1)[*:1] O=C(c1cccc2cc[nH]c12)N1CCC[C@H](C1)[*:1]
C#CCN(CC(=O)NC(C)(C)C)[C@H]1CCc2ccccc21 CC(C)(C)NC(=O)[*:1] C#CCN(C[*:1])[C@H]1CCc2ccccc21
C#CCN(CC(=O)NC(C)(C)C)[C@H]1CCc2ccccc21 C#CC[*:1] CC(C)(C)NC(=O)CN([C@H]1CCc2ccccc21)[*:1]
C#CCN(CC(=O)NC(C)(C)C)[C@H]1CCc2ccccc21 CC(C)(C)[*:1] C#CCN(CC(=O)N[*:1])[C@H]1CCc2ccccc21
Cc1ccc(C(=O)Nc2nc[nH]n2)cc1F c1nc(n[nH]1)[*:1] Cc1ccc(cc1F)C(=O)N[*:1]
CCCCNC(=O)c1ccc(F)c(Br)c1 CCCC[*:1] O=C(N[*:1])c1ccc(F)c(Br)c1
CCCCNC(=O)c1ccc(F)c(Br)c1 CCC[*:1] O=C(NC[*:1])c1ccc(F)c(Br)c1
COc1ncccc1C(=O)NCc1ccc(OCc2cccnc2)cc1 COc1ncccc1[*:1] O=C(NCc1ccc(cc1)OCc1cccnc1)[*:1]
COc1ncccc1C(=O)NCc1ccc(OCc2cccnc2)cc1 c1cncc(c1)[*:1] COc1ncccc1C(=O)NCc1ccc(cc1)OC[*:1]
COc1ncccc1C(=O)NCc1ccc(OCc2cccnc2)cc1 c1cncc(c1)CO[*:1] COc1ncccc1C(=O)NCc1ccc(cc1)[*:1]
COc1ncccc1C(=O)NCc1ccc(OCc2cccnc2)cc1 c1cncc(c1)C[*:1] COc1ncccc1C(=O)NCc1ccc(cc1)O[*:1]
COc1ccc(C2(C(=O)N3CC[C@@H](c4ccccc4)C3)CCOCC2)cc1 COc1ccc(cc1)[*:1] O=C(N1CC[C@H](C1)c1ccccc1)C1(CCOCC1)[*:1]
COc1ccc(C2(C(=O)N3CC[C@@H](c4ccccc4)C3)CCOCC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1(CCOCC1)C(=O)N1CC[C@@H](C1)[*:1]
CCOc1cc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)ccc1OC(C)=O Cc1ccc(cc1)[*:1] CCOc1cc(/C=c2/sc3nc(nn3c2=O)[*:1])ccc1OC(C)=O
CCOc1cc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)ccc1OC(C)=O CC(=O)O[*:1] CCOc1cc(/C=c2/sc3nc(nn3c2=O)-c2ccc(C)cc2)ccc1[*:1]
CCOc1cc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)ccc1OC(C)=O CCO[*:1] CC(=O)Oc1ccc(/C=c2/sc3nc(nn3c2=O)-c2ccc(C)cc2)cc1[*:1]
O=S(=O)(Nc1cnn(Cc2ccc(Br)cc2)c1)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] O=S(=O)(Nc1cnn(c1)Cc1ccc(Br)cc1)[*:1]
O=S(=O)(Nc1cnn(Cc2ccc(Br)cc2)c1)c1cc(Cl)ccc1Cl Brc1ccc(cc1)[*:1] O=S(=O)(Nc1cnn(c1)C[*:1])c1cc(Cl)ccc1Cl
O=S(=O)(Nc1cnn(Cc2ccc(Br)cc2)c1)c1cc(Cl)ccc1Cl Brc1ccc(cc1)C[*:1] O=S(=O)(Nc1cnn(c1)[*:1])c1cc(Cl)ccc1Cl
Cc1c(C(=O)NCCc2ccccc2)cnn1-c1ccncc1 c1ccc(cc1)C[*:1] Cc1c(cnn1-c1ccncc1)C(=O)NC[*:1]
Cc1c(C(=O)NCCc2ccccc2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)NCCc1ccccc1
Cc1c(C(=O)NCCc2ccccc2)cnn1-c1ccncc1 c1ccc(cc1)[*:1] Cc1c(cnn1-c1ccncc1)C(=O)NCC[*:1]
CO[C@]1(C)C[C@@H](NC(=O)N2CCCN(c3nccs3)CC2)C1(C)C c1csc(n1)[*:1] CO[C@]1(C)C[C@@H](NC(=O)N2CCCN(CC2)[*:1])C1(C)C
C=CCn1c(SCc2cnc(C)cn2)n[nH]c1=O C=CC[*:1] Cc1cnc(cn1)CSc1n[nH]c(=O)n1[*:1]
CCCn1c(Nc2ccc(C(=O)NC)cc2)nc2sc3c(c2c1=O)CCCC3 CNC(=O)[*:1] CCCn1c(nc2sc3CCCCc3c2c1=O)Nc1ccc(cc1)[*:1]
CCCn1c(Nc2ccc(C(=O)NC)cc2)nc2sc3c(c2c1=O)CCCC3 CCC[*:1] CNC(=O)c1ccc(cc1)Nc1nc2sc3CCCCc3c2c(=O)n1[*:1]
COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cc(F)ccc1C COC(=O)[*:1] Cc1ccc(F)cc1S(=O)(=O)N[C@H](CC(C)C)[*:1]
COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cc(F)ccc1C CC(C)C[*:1] COC(=O)[C@@H](NS(=O)(=O)c1cc(F)ccc1C)[*:1]
COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cc(F)ccc1C CC(C)[*:1] COC(=O)[C@@H](C[*:1])NS(=O)(=O)c1cc(F)ccc1C
c1csc(-c2noc(-c3ccc4cc[nH]c4c3)n2)c1 c1csc(c1)[*:1] c1cc2ccc(cc2[nH]1)-c1nc(no1)[*:1]
Cc1cc(C)n(-c2ccc(N3CCS[C@@H](C)[C@@H]3C)nn2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H]1SCCN(c2ccc(nn2)[*:1])[C@H]1C
Cn1nc(C(C)(C)C)cc1C(=O)N(CCC(F)(F)F)CC1CC1 C1CC1[*:1] Cn1nc(cc1C(=O)N(CCC(F)(F)F)C[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1C(=O)N(CCC(F)(F)F)CC1CC1 CC(C)(C)[*:1] Cn1nc(cc1C(=O)N(CCC(F)(F)F)CC1CC1)[*:1]
Cn1nc(C(C)(C)C)cc1C(=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)CC[*:1] Cn1nc(cc1C(=O)N(CC1CC1)[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1C(=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)C[*:1] Cn1nc(cc1C(=O)N(CC1CC1)C[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1C(=O)N(CCC(F)(F)F)CC1CC1 C1CC1C[*:1] Cn1nc(cc1C(=O)N(CCC(F)(F)F)[*:1])C(C)(C)C
Cn1nc(C(C)(C)C)cc1C(=O)N(CCC(F)(F)F)CC1CC1 FC(F)(F)[*:1] Cn1nc(cc1C(=O)N(CC[*:1])CC1CC1)C(C)(C)C
O=C(CSc1nccn1C1CC1)N1CCC[C@@H]2CCCC[C@@H]21 C1CC1[*:1] O=C(CSc1nccn1[*:1])N1CCC[C@@H]2CCCC[C@@H]21
Cc1ccccc1Nc1c(-c2ccccn2)nc2cnccn12 Cc1ccccc1[*:1] c1ccc(nc1)-c1nc2cnccn2c1N[*:1]
Cc1ccccc1Nc1c(-c2ccccn2)nc2cnccn12 c1ccc(nc1)[*:1] Cc1ccccc1Nc1c(nc2cnccn12)[*:1]
COCc1ccccc1[C@@H]1OCCC[C@@H]1C[NH2+]CC(C)C COC[*:1] CC(C)C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1[*:1]
COCc1ccccc1[C@@H]1OCCC[C@@H]1C[NH2+]CC(C)C CC(C)C[*:1] COCc1ccccc1[C@@H]1OCCC[C@@H]1C[NH2+][*:1]
COCc1ccccc1[C@@H]1OCCC[C@@H]1C[NH2+]CC(C)C CC(C)[*:1] COCc1ccccc1[C@@H]1OCCC[C@@H]1C[NH2+]C[*:1]
CC1(C)CN(C(=O)c2ccccc2S(C)(=O)=O)CCO1 CS(=O)(=O)[*:1] CC1(C)CN(CCO1)C(=O)c1ccccc1[*:1]
Cc1cc(C[C@H](C)N[C@@H](Cc2ccncc2)C(F)(F)F)n[nH]1 c1cc(ccn1)[*:1] Cc1cc(C[C@H](C)N[C@@H](C[*:1])C(F)(F)F)n[nH]1
Cc1cc(C[C@H](C)N[C@@H](Cc2ccncc2)C(F)(F)F)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@@H](C[*:1])N[C@@H](Cc1ccncc1)C(F)(F)F
Cc1cc(C[C@H](C)N[C@@H](Cc2ccncc2)C(F)(F)F)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@H](N[C@@H](Cc1ccncc1)C(F)(F)F)[*:1]
Cc1cc(C[C@H](C)N[C@@H](Cc2ccncc2)C(F)(F)F)n[nH]1 c1cc(ccn1)C[*:1] Cc1cc(C[C@H](C)N[C@@H](C(F)(F)F)[*:1])n[nH]1
Cc1cc(C[C@H](C)N[C@@H](Cc2ccncc2)C(F)(F)F)n[nH]1 FC(F)(F)[*:1] Cc1cc(C[C@H](C)N[C@@H](Cc2ccncc2)[*:1])n[nH]1
CC[C@H](C)N(CC)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 CC[C@H](C)[*:1] CCN(S(=O)(=O)c1ccc(cc1)[C@@H](C)[NH3+])[*:1]
CC[C@H](C)N(CC)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 C[C@@H]([NH3+])[*:1] CC[C@H](C)N(CC)S(=O)(=O)c1ccc(cc1)[*:1]
CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1csc(-c2cnccn2)n1 c1cnc(cn1)[*:1] CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1csc(n1)[*:1]
CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1csc(-c2cnccn2)n1 CC(C)[*:1] O=C(c1csc(n1)-c1cnccn1)N1c2ccccc2CC[C@H]1[*:1]
CCc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 Cc1nnc(s1)[*:1] CCc1ccc(cc1)[C@H]1C(C(=O)/C=C/c2ccccc2)=C([O-])C(=O)N1[*:1]
CCc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 C(=C[*:1])c1ccccc1 CCc1ccc(cc1)[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1nnc(C)s1
CCc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 O=C(/C=C/c1ccccc1)[*:1] CCc1ccc(cc1)[C@H]1C(=C([O-])C(=O)N1c1nnc(C)s1)[*:1]
CCc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)[C@H]1C(C(=O)C=C[*:1])=C([O-])C(=O)N1c1nnc(C)s1
CCc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 CCc1ccc(cc1)[*:1] Cc1nnc(s1)N1C(=O)C([O-])=C(C(=O)/C=C/c2ccccc2)[C@@H]1[*:1]
O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(C[C@@]1(O)C(=O)N(CCC[*:1])c2ccccc21)c1ccc2OCOc2c1
O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 c1ccc(cc1)CCC[*:1] O=C(C[C@@]1(O)C(=O)N(c2ccccc21)[*:1])c1ccc2OCOc2c1
O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 c1ccc(cc1)C[*:1] O=C(C[C@@]1(O)C(=O)N(CC[*:1])c2ccccc21)c1ccc2OCOc2c1
O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C1N(CCCc2ccccc2)c2ccccc2[C@@]1(O)CC(=O)[*:1]
O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 c1ccc(cc1)CC[*:1] O=C(C[C@@]1(O)C(=O)N(C[*:1])c2ccccc21)c1ccc2OCOc2c1
C[C@@H](CN1CCCC1=O)NC(=O)NC1CCCCCCC1 O=C1CCCN1C[*:1] C[C@@H](NC(=O)NC1CCCCCCC1)[*:1]
C[C@@H](CN1CCCC1=O)NC(=O)NC1CCCCCCC1 O=C1CCCN1[*:1] C[C@@H](C[*:1])NC(=O)NC1CCCCCCC1
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(F)c1C CC[C@@H](C)[*:1] Cc1c(F)cccc1NC(=O)C(=O)N[C@H](C)C(=O)N[*:1]
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(F)c1C CC[C@@H](C)NC(=O)[*:1] Cc1c(F)cccc1NC(=O)C(=O)N[C@H](C)[*:1]
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)C2CCC2)cc1 C1CC(C1)[*:1] C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(cc1)NC(=O)[*:1]
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)C2CCC2)cc1 Clc1ccc(c(Cl)c1)[*:1] C/C(=N\NC(=O)[*:1])c1ccc(cc1)NC(=O)C1CCC1
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)C2CCC2)cc1 O=C(N[*:1])C1CCC1 C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(cc1)[*:1]
Cc1csc(CCCCNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)n1 Cc1csc(C[*:1])n1 O=C(NCCC[*:1])N1CCC[C@@H](CN2CCOCC2)C1
Cc1csc(CCCCNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)n1 Cc1csc(n1)[*:1] O=C(NCCCC[*:1])N1CCC[C@@H](CN2CCOCC2)C1
Cc1csc(CCCCNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)n1 C1CN(CCO1)[*:1] Cc1csc(CCCCNC(=O)N2CCC[C@H](C2)C[*:1])n1
Cc1csc(CCCCNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)n1 C1CN(CCO1)C[*:1] Cc1csc(CCCCNC(=O)N2CCC[C@@H](C2)[*:1])n1
Cc1csc(CCCCNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)n1 Cc1csc(CC[*:1])n1 O=C(NCC[*:1])N1CCC[C@@H](CN2CCOCC2)C1
C[C@H](N[C@H](C)[C@H](O)c1ccc(F)c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 Fc1ccc(cc1F)[*:1] C[C@H](N[C@H](C)[C@H](O)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
Cc1ccccc1OCc1nnc(SCC(N)=O)n1-c1ccccc1 NC(=O)C[*:1] Cc1ccccc1OCc1nnc(S[*:1])n1-c1ccccc1
Cc1ccccc1OCc1nnc(SCC(N)=O)n1-c1ccccc1 NC(=O)[*:1] Cc1ccccc1OCc1nnc(SC[*:1])n1-c1ccccc1
Cc1ccccc1OCc1nnc(SCC(N)=O)n1-c1ccccc1 NC(=O)CS[*:1] Cc1ccccc1OCc1nnc(n1-c1ccccc1)[*:1]
Cc1ccccc1OCc1nnc(SCC(N)=O)n1-c1ccccc1 c1ccc(cc1)[*:1] Cc1ccccc1OCc1nnc(SCC(N)=O)n1[*:1]
Cc1ccccc1OCc1nnc(SCC(N)=O)n1-c1ccccc1 Cc1ccccc1O[*:1] NC(=O)CSc1nnc(C[*:1])n1-c1ccccc1
Cc1ccccc1OCc1nnc(SCC(N)=O)n1-c1ccccc1 Cc1ccccc1[*:1] NC(=O)CSc1nnc(CO[*:1])n1-c1ccccc1
COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4cccc(C#N)c4)nc23)c1 COc1cccc(c1)S[*:1] N#Cc1cccc(c1)NC(=O)Cn1nc2c(nc3ccccc3n2c1=O)[*:1]
COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4cccc(C#N)c4)nc23)c1 N#Cc1cccc(c1)[*:1] COc1cccc(c1)Sc1nc2ccccc2n2c(=O)n(CC(=O)N[*:1])nc12
COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4cccc(C#N)c4)nc23)c1 COc1cccc(c1)[*:1] N#Cc1cccc(c1)NC(=O)Cn1nc2c(nc3ccccc3n2c1=O)S[*:1]
COc1cccc(Sc2nc3ccccc3n3c(=O)n(CC(=O)Nc4cccc(C#N)c4)nc23)c1 N#Cc1cccc(c1)NC(=O)[*:1] COc1cccc(c1)Sc1nc2ccccc2n2c(=O)n(C[*:1])nc12
CC(=O)NCC1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 CC(=O)NC[*:1] O=C(Cn1nc2ccccn2c1=O)N1CCC(CC1)[*:1]
CC(=O)NCC1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 CC(=O)N[*:1] O=C(Cn1nc2ccccn2c1=O)N1CCC(CC1)C[*:1]
COC(C)(C)c1noc(Cc2csc(N3CCNC3=O)n2)n1 O=C1NCCN1[*:1] COC(C)(C)c1noc(Cc2csc(n2)[*:1])n1
COC(C)(C)c1noc(Cc2csc(N3CCNC3=O)n2)n1 COC(C)(C)[*:1] O=C1NCCN1c1nc(cs1)Cc1nc(no1)[*:1]
COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)oc1C c1ccc(cc1)[*:1] COC(=O)c1cc(oc1C)S(=O)(=O)N1CCC[C@H]1[*:1]
COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)oc1C COC(=O)[*:1] Cc1oc(cc1[*:1])S(=O)(=O)N1CCC[C@@H]1c1ccccc1
COc1ccc(CN(C)C(=O)Cc2ccc(F)cc2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])CN(C)C(=O)Cc1ccc(F)cc1
COc1ccc(CN(C)C(=O)Cc2ccc(F)cc2)cc1OC(F)F Fc1ccc(cc1)[*:1] COc1ccc(cc1OC(F)F)CN(C)C(=O)C[*:1]
COc1ccc(CN(C)C(=O)Cc2ccc(F)cc2)cc1OC(F)F Fc1ccc(cc1)C[*:1] COc1ccc(cc1OC(F)F)CN(C)C(=O)[*:1]
COc1ccc(CN(C)C(=O)Cc2ccc(F)cc2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])CN(C)C(=O)Cc1ccc(F)cc1
CCOC(=O)c1sc2nc(-c3ccsc3)[nH]c(=O)c2c1C CCOC(=O)[*:1] Cc1c(sc2nc([nH]c(=O)c12)-c1ccsc1)[*:1]
CCOC(=O)c1sc2nc(-c3ccsc3)[nH]c(=O)c2c1C c1cc(cs1)[*:1] CCOC(=O)c1sc2nc([nH]c(=O)c2c1C)[*:1]
CCCCc1nnc(NC(=O)COC)s1 CCCC[*:1] COCC(=O)Nc1nnc(s1)[*:1]
CCCCc1nnc(NC(=O)COC)s1 COC[*:1] CCCCc1nnc(NC(=O)[*:1])s1
CCCCc1nnc(NC(=O)COC)s1 CCC[*:1] COCC(=O)Nc1nnc(C[*:1])s1
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O FC(F)O[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O)c1ccc(cc1)[*:1]
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O FC(F)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O)c1ccc(cc1)O[*:1]
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O Fc1ccc(cc1Cl)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(cc1)OC(F)F
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O FC(F)Oc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O)[*:1]
Cc1nc(N2CCCCC2)ncc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)[*:1] Cc1nc(ncc1C(=O)NC[*:1])N1CCCCC1
Cc1nc(N2CCCCC2)ncc1C(=O)NC[C@H]1CCCO1 C1CCN(CC1)[*:1] Cc1nc(ncc1C(=O)NC[C@H]1CCCO1)[*:1]
Cc1nc(N2CCCCC2)ncc1C(=O)NC[C@H]1CCCO1 C1CO[C@H](C1)C[*:1] Cc1nc(ncc1C(=O)N[*:1])N1CCCCC1
O=C(c1ccc(F)cc1F)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 Fc1ccc(c(F)c1)[*:1] O=C(N1CCN(CC1)c1nc2ccc(Cl)cc2s1)[*:1]
COc1cccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)c1 Fc1cccc(c1)[*:1] COc1cccc(c1)C(=O)C[C@]1(O)C(=O)N(C[*:1])c2ccccc21
COc1cccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)c1 Fc1cccc(c1)C[*:1] COc1cccc(c1)C(=O)C[C@]1(O)C(=O)N(c2ccccc21)[*:1]
COc1cccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)c1 COc1cccc(c1)C(=O)[*:1] O=C1N(Cc2cccc(F)c2)c2ccccc2[C@]1(O)C[*:1]
COc1cccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)c1 COc1cccc(c1)[*:1] O=C1N(Cc2cccc(F)c2)c2ccccc2[C@]1(O)CC(=O)[*:1]
Cc1cc(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1cc(C)c2c(nn(c2n1)[*:1])-c1ccccc1
Cc1cc(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1cc(C)c2c(nn(-c3ccccc3)c2n1)[*:1]
CC[C@@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(C)c(F)c1 Cc1ccc(cc1F)[*:1] CC[C@@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1O)[*:1]
O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(Nc1ccc(cc1)-c1nnc2CCCCCn21)c1ccc(cc1)[*:1]
O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(N2CCCC2=O)cc1 C1CCc2nnc(n2CC1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(cc1)N1CCCC1=O
Cc1nc(Nc2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)cc2)cc(-n2cccn2)n1 Clc1ccccc1[*:1] Cc1nc(cc(n1)-n1cccn1)Nc1ccc(cc1)NC(=O)c1c(noc1C)[*:1]
Cc1nc(Nc2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)cc2)cc(-n2cccn2)n1 c1cnn(c1)[*:1] Cc1nc(cc(n1)[*:1])Nc1ccc(cc1)NC(=O)c1c(noc1C)-c1ccccc1Cl
NC(=O)c1ccc(CNC(=O)C2(c3cccc(Br)c3)CC2)o1 NC(=O)[*:1] O=C(NCc1ccc(o1)[*:1])C1(CC1)c1cccc(Br)c1
NC(=O)c1ccc(CNC(=O)C2(c3cccc(Br)c3)CC2)o1 Brc1cccc(c1)[*:1] NC(=O)c1ccc(CNC(=O)C2(CC2)[*:1])o1
CCN(C)c1ccccc1NC(=O)[C@H]1SCCc2ccccc21 CCN(C)[*:1] O=C(Nc1ccccc1[*:1])[C@H]1SCCc2ccccc21
O=C(/C=C/c1ccc(F)cc1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)[*:1] O=C(/C=C/c1ccc(F)cc1)N(CC[*:1])C1CCC1
O=C(/C=C/c1ccc(F)cc1)N(CCC(F)(F)F)C1CCC1 Fc1ccc(cc1)[*:1] O=C(C=C[*:1])N(CCC(F)(F)F)C1CCC1
O=C(/C=C/c1ccc(F)cc1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)CC[*:1] O=C(/C=C/c1ccc(F)cc1)N(C1CCC1)[*:1]
O=C(/C=C/c1ccc(F)cc1)N(CCC(F)(F)F)C1CCC1 C1CC(C1)[*:1] O=C(/C=C/c1ccc(F)cc1)N(CCC(F)(F)F)[*:1]
O=C(/C=C/c1ccc(F)cc1)N(CCC(F)(F)F)C1CCC1 FC(F)(F)C[*:1] O=C(/C=C/c1ccc(F)cc1)N(C[*:1])C1CCC1
Cc1ccsc1CNC(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Cc1ccsc1C[*:1] O=C(C[NH+]1CCC(CC1)OCc1ccc(F)cc1)N[*:1]
Cc1ccsc1CNC(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] Cc1ccsc1CNC(=O)C[NH+]1CCC(CC1)OC[*:1]
Cc1ccsc1CNC(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Cc1ccsc1[*:1] O=C(C[NH+]1CCC(CC1)OCc1ccc(F)cc1)NC[*:1]
Cc1ccsc1CNC(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] Cc1ccsc1CNC(=O)C[NH+]1CCC(CC1)O[*:1]
CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)cc1 Brc1ccc(cc1)[*:1] CC[C@H](NS(=O)(=O)[*:1])c1ccc(C)cc1
CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)cc1 Cc1ccc(cc1)[*:1] CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)[*:1]
Cc1ccc(C(=O)CCC(=O)N2CCC(c3n[nH]c4nccnc34)CC2)cc1C Cc1ccc(cc1C)[*:1] O=C(CCC(=O)[*:1])N1CCC(CC1)c1n[nH]c2nccnc12
Cc1nc(N)sc1C(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 Cc1nc(N)sc1[*:1] O=C(N1CCC[C@H](C1)C[NH+]1CCCCC1)[*:1]
Cc1nc(C2CC[NH+](CC(C)(C)C)CC2)n[nH]1 CC(C)(C)C[*:1] Cc1nc(n[nH]1)C1CC[NH+](CC1)[*:1]
Cc1nc(C2CC[NH+](CC(C)(C)C)CC2)n[nH]1 CC(C)(C)[*:1] Cc1nc(n[nH]1)C1CC[NH+](CC1)C[*:1]
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C[NH+](C)C2CCCCC2)cc1 C1CCC(CC1)[*:1] CC(=O)c1ccc(cc1)S(=O)(=O)[N-]c1ccccc1C[NH+](C)[*:1]
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C[NH+](C)C2CCCCC2)cc1 CC(=O)c1ccc(cc1)[*:1] C[NH+](Cc1ccccc1[N-]S(=O)(=O)[*:1])C1CCCCC1
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C[NH+](C)C2CCCCC2)cc1 CC(=O)[*:1] C[NH+](Cc1ccccc1[N-]S(=O)(=O)c1ccc(cc1)[*:1])C1CCCCC1
CCCn1cc(C(=O)N2CCCCC2)c2nn(-c3ccccc3)c(=O)c-2c1 O=C(N1CCCCC1)[*:1] CCCn1cc(c2nn(-c3ccccc3)c(=O)c-2c1)[*:1]
CCCn1cc(C(=O)N2CCCCC2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] CCCn1cc(C(=O)N2CCCCC2)c2nn(c(=O)c-2c1)[*:1]
CCCn1cc(C(=O)N2CCCCC2)c2nn(-c3ccccc3)c(=O)c-2c1 CCC[*:1] O=C(c1cn(cc2-c1nn(-c1ccccc1)c2=O)[*:1])N1CCCCC1
C#CCn1c(CCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21 C#CC[*:1] O=C(COc1ccc(Cl)cc1)NCCc1nc2ccccc2n1[*:1]
C#CCn1c(CCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21 Clc1ccc(cc1)[*:1] C#CCn1c(CCNC(=O)CO[*:1])nc2ccccc21
C#CCn1c(CCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21 Clc1ccc(cc1)O[*:1] C#CCn1c(CCNC(=O)C[*:1])nc2ccccc21
NC(=O)c1c(Cl)cccc1NCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 NC(=O)[*:1] O=C(CNc1cccc(Cl)c1[*:1])N1CCC[C@@H]2CCCC[C@@H]21
Cc1cccc([N+](=O)[O-])c1NC(=O)COc1ccc(F)cc1Br O=[N+]([O-])[*:1] Cc1cccc(c1NC(=O)COc1ccc(F)cc1Br)[*:1]
CC(C)n1nccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 CC(C)n1nccc1[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)N[*:1]
CC(C)n1nccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 CC(C)[*:1] N#Cc1ccccc1-c1ccc(cc1)CNC(=O)Nc1ccnn1[*:1]
CC(C)n1nccc1NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 N#Cc1ccccc1[*:1] CC(C)n1nccc1NC(=O)NCc1ccc(cc1)[*:1]
CCC[NH2+][C@@H](COCC)c1ccc(Br)cc1 CCOC[*:1] CCC[NH2+][C@@H](c1ccc(Br)cc1)[*:1]
CCC[NH2+][C@@H](COCC)c1ccc(Br)cc1 CCO[*:1] CCC[NH2+][C@@H](C[*:1])c1ccc(Br)cc1
CCC[NH2+][C@@H](COCC)c1ccc(Br)cc1 CCC[*:1] CCOC[C@H]([NH2+][*:1])c1ccc(Br)cc1
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1 C1CC1[*:1] CN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2-c3ccccc3Cc2s1)[*:1]
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1 CN(C1CC1)S(=O)(=O)[*:1] O=C(Nc1nc2-c3ccccc3Cc2s1)c1ccc(cc1)[*:1]
O=C(Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)[C@@H]1CCCO1 Clc1ccc(cc1)[*:1] O=C(Oc1ccc2cc(c(=O)oc2c1)[*:1])[C@@H]1CCCO1
CCOC(=O)CC[C@H]([NH3+])Cc1cc(Cl)cs1 CCOC(=O)[*:1] [NH3+][C@@H](CC[*:1])Cc1cc(Cl)cs1
Cc1cc2ncn(CC3CCN(C(=O)C(C)(C)CCl)CC3)c2cc1C CC(C)(CCl)[*:1] Cc1cc2ncn(CC3CCN(CC3)C(=O)[*:1])c2cc1C
C=CCOC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl C=CCOC(=O)[*:1] O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC=CC[C@@H]1[*:1]
C=CCOC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl C=CC[*:1] O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC=CC[C@@H]1C(=O)O[*:1]
COCCn1cc(C(=O)NC(C)(C)C)c2ccccc21 CC(C)(C)[*:1] COCCn1cc(C(=O)N[*:1])c2ccccc21
COCCn1cc(C(=O)NC(C)(C)C)c2ccccc21 COC[*:1] CC(C)(C)NC(=O)c1cn(C[*:1])c2ccccc12
COCCn1cc(C(=O)NC(C)(C)C)c2ccccc21 COCC[*:1] CC(C)(C)NC(=O)c1cn(c2ccccc12)[*:1]
O=C(c1ccco1)N1CCC(NC(=O)N2CCc3cc(F)ccc32)CC1 c1coc(c1)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])N1CCc2cc(F)ccc21
Cn1c(SCC(=O)NCCc2cccs2)nnc1-c1cccnc1 c1cncc(c1)[*:1] Cn1c(nnc1[*:1])SCC(=O)NCCc1cccs1
Cn1c(SCC(=O)NCCc2cccs2)nnc1-c1cccnc1 c1csc(c1)C[*:1] Cn1c(nnc1-c1cccnc1)SCC(=O)NC[*:1]
Cn1c(SCC(=O)NCCc2cccs2)nnc1-c1cccnc1 c1csc(c1)CC[*:1] Cn1c(nnc1-c1cccnc1)SCC(=O)N[*:1]
Cn1c(SCC(=O)NCCc2cccs2)nnc1-c1cccnc1 c1csc(c1)[*:1] Cn1c(nnc1-c1cccnc1)SCC(=O)NCC[*:1]
Cc1ccc(N2C[C@@H](C(=O)N3CCc4ccccc4C3)CC2=O)cc1 Cc1ccc(cc1)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCc2ccccc2C1
CCOC(=O)[C@@H]1[NH+]=c2ccc(F)cc2=C1NC(=O)CN1c2ccc(F)cc2CC[C@@H]1C CCOC(=O)[*:1] C[C@H]1CCc2cc(F)ccc2N1CC(=O)NC1=c2cc(F)ccc2=[NH+][C@H]1[*:1]
NS(=O)(=O)c1ccc(NC[C@@H](O)c2ccco2)cc1C(F)(F)F FC(F)(F)[*:1] NS(=O)(=O)c1ccc(cc1[*:1])NC[C@@H](O)c1ccco1
NS(=O)(=O)c1ccc(NC[C@@H](O)c2ccco2)cc1C(F)(F)F NS(=O)(=O)[*:1] O[C@H](CNc1ccc(c(c1)C(F)(F)F)[*:1])c1ccco1
NS(=O)(=O)c1ccc(NC[C@@H](O)c2ccco2)cc1C(F)(F)F O[C@@H](c1ccco1)[*:1] NS(=O)(=O)c1ccc(cc1C(F)(F)F)NC[*:1]
NS(=O)(=O)c1ccc(NC[C@@H](O)c2ccco2)cc1C(F)(F)F c1coc(c1)[*:1] NS(=O)(=O)c1ccc(cc1C(F)(F)F)NC[C@@H](O)[*:1]
NC(=O)[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 NC(=O)[*:1] O=C(N1CC[C@@H](C1)[*:1])C1(CCCC1)c1cccc(Cl)c1
NC(=O)[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 Clc1cccc(c1)[*:1] NC(=O)[C@H]1CCN(C1)C(=O)C1(CCCC1)[*:1]
Fc1ccc(CC[C@H]2CCCN(c3nccs3)C2)c(F)c1 c1csc(n1)[*:1] Fc1ccc(CC[C@H]2CCCN(C2)[*:1])c(F)c1
CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(F)cc3)cc2C1 Fc1ccc(cc1)[*:1] CCCS(=O)(=O)N1CCc2ccc(cc2C1)NC(=O)[*:1]
CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(F)cc3)cc2C1 CCC[*:1] O=C(Nc1ccc2CCN(Cc2c1)S(=O)(=O)[*:1])c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@H](c2ccccc2)N1c1cccc(c1)C(F)(F)F)[*:1]
O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccccc1 FC(F)(F)c1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccccc1)[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccccc1 FC(F)(F)[*:1] O=C(C1=C([O-])C(=O)N(c2cccc(c2)[*:1])[C@H]1c1ccccc1)c1ccccc1
O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C(C1=C([O-])C(=O)N(c2cccc(c2)C(F)(F)F)[C@@H]1[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2)N1c1cccc(c1)C(F)(F)F
CC[C@]1(C2CCN(C(=O)c3ccc([O-])nn3)CC2)NC(=O)NC1=O [O-]c1ccc(nn1)[*:1] CC[C@@]1(NC(=O)NC1=O)C1CCN(CC1)C(=O)[*:1]
CC[S@](=O)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 CC(C)[*:1] CC[S@](=O)CC(=O)N[C@@H](C)c1ccc(cc1)C[*:1]
CC[S@](=O)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 CC(C)C[*:1] CC[S@](=O)CC(=O)N[C@@H](C)c1ccc(cc1)[*:1]
Cc1cc(N)n(-c2cc(N3CC[C@@H]4[C@H](CCC(=O)N4C4CC4)C3)ncn2)[nH+]1 C1CC1[*:1] Cc1cc(N)n([nH+]1)-c1cc(ncn1)N1CC[C@@H]2[C@H](CCC(=O)N2[*:1])C1
Cc1nn(C)c2ncnc(N(C)Cc3cc(-c4ccccc4)on3)c12 c1ccc(cc1)[*:1] Cc1nn(C)c2ncnc(c12)N(C)Cc1cc(on1)[*:1]
COc1cc(OC)cc(C(=O)Nc2ccc3nc(-c4ccncc4)[nH]c3c2)c1 c1cc(ccn1)[*:1] COc1cc(cc(c1)C(=O)Nc1ccc2nc([nH]c2c1)[*:1])OC
CC(C)OCc1c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)oc2ccccc12 CC(C)O[*:1] CS(=O)(=O)N1CCC[C@H](C1)NC(=O)c1oc2ccccc2c1C[*:1]
CC(C)OCc1c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)oc2ccccc12 CC(C)[*:1] CS(=O)(=O)N1CCC[C@H](C1)NC(=O)c1oc2ccccc2c1CO[*:1]
CC(C)OCc1c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)oc2ccccc12 CC(C)OC[*:1] CS(=O)(=O)N1CCC[C@H](C1)NC(=O)c1oc2ccccc2c1[*:1]
Cn1nncc1CN(Cc1ccccc1C(F)(F)F)C1CCCC1 Cn1nncc1C[*:1] FC(F)(F)c1ccccc1CN(C1CCCC1)[*:1]
Cn1nncc1CN(Cc1ccccc1C(F)(F)F)C1CCCC1 C1CCC(C1)[*:1] Cn1nncc1CN(Cc1ccccc1C(F)(F)F)[*:1]
Cn1nncc1CN(Cc1ccccc1C(F)(F)F)C1CCCC1 FC(F)(F)[*:1] Cn1nncc1CN(Cc1ccccc1[*:1])C1CCCC1
Cn1nncc1CN(Cc1ccccc1C(F)(F)F)C1CCCC1 Cn1nncc1[*:1] FC(F)(F)c1ccccc1CN(C[*:1])C1CCCC1
CSC[C@@H](C)N(C)C(=O)Nc1ccc(C(C)=O)c(C)c1 CSC[*:1] CC(=O)c1ccc(cc1C)NC(=O)N(C)[C@H](C)[*:1]
CSC[C@@H](C)N(C)C(=O)Nc1ccc(C(C)=O)c(C)c1 CC(=O)[*:1] CSC[C@@H](C)N(C)C(=O)Nc1ccc(c(C)c1)[*:1]
O=C(CCCNc1cnc2ccccc2n1)NC1CC1 C1CC1[*:1] O=C(CCCNc1cnc2ccccc2n1)N[*:1]
O=C(CCCNc1cnc2ccccc2n1)NC1CC1 O=C(NC1CC1)[*:1] c1ccc2nc(cnc2c1)NCCC[*:1]
COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC(F)F FC(F)[*:1] COc1ccc(cc1O[*:1])C[NH2+]Cc1cccc(C)c1
COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC(F)F FC(F)O[*:1] COc1ccc(cc1[*:1])C[NH2+]Cc1cccc(C)c1
COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC(F)F Cc1cccc(c1)[*:1] COc1ccc(cc1OC(F)F)C[NH2+]C[*:1]
O=C([O-])c1cccc(-c2ccc(/C=N\O)o2)c1 O=C([O-])[*:1] O/N=C\c1ccc(o1)-c1cccc(c1)[*:1]
O=C([O-])c1cccc(-c2ccc(/C=N\O)o2)c1 ON=C[*:1] O=C([O-])c1cccc(c1)-c1ccc(o1)[*:1]
O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CC[C@H](O)C1 FC(F)(F)[*:1] O=C([C@H]1CCCN(C1)c1ncccc1[*:1])N1CC[C@H](O)C1
O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CC[C@H](O)C1 O=C(N1CC[C@H](O)C1)[*:1] FC(F)(F)c1cccnc1N1CCC[C@@H](C1)[*:1]
CC(C)c1cc(C(=O)Nc2ccc(N(C)C)nc2)n[nH]1 CC(C)[*:1] CN(C)c1ccc(cn1)NC(=O)c1cc([nH]n1)[*:1]
CC(C)c1cc(C(=O)Nc2ccc(N(C)C)nc2)n[nH]1 CN(C)[*:1] CC(C)c1cc(n[nH]1)C(=O)Nc1ccc(nc1)[*:1]
Cc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1C C1CCCC(CC1)[*:1] Cc1ccc(cc1C)NC(=O)C(=O)N[*:1]
COCc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)no1 COC[*:1] O=C(NCC1(CCCC1)[NH+]1CCSCC1)c1cc(on1)[*:1]
CN(CC[NH+]1CCCC1)CC(=O)N(C)CC1CCCCC1 C1CCC(CC1)[*:1] CN(CC[NH+]1CCCC1)CC(=O)N(C)C[*:1]
CN(CC[NH+]1CCCC1)CC(=O)N(C)CC1CCCCC1 C1CCC(CC1)C[*:1] CN(CC[NH+]1CCCC1)CC(=O)N(C)[*:1]
O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](CC3CCCC3)CC2)CC1 C1CCC(C1)C[*:1] O=C(NCc1cccnc1)C1CC[NH+](CC1)C1CC[NH+](CC1)[*:1]
O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](CC3CCCC3)CC2)CC1 c1cncc(c1)[*:1] O=C(NC[*:1])C1CC[NH+](CC1)C1CC[NH+](CC1)CC1CCCC1
O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](CC3CCCC3)CC2)CC1 c1cncc(c1)C[*:1] O=C(N[*:1])C1CC[NH+](CC1)C1CC[NH+](CC1)CC1CCCC1
O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](CC3CCCC3)CC2)CC1 C1CCC(C1)[*:1] O=C(NCc1cccnc1)C1CC[NH+](CC1)C1CC[NH+](CC1)C[*:1]
O=C(Nc1ccnn1C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1C1CC[NH+](CC1)Cc1nc(no1)-c1ccccc1)[*:1]
O=C(Nc1ccnn1C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)c1ccccc1 O=C(N[*:1])c1ccccc1 c1ccc(cc1)-c1noc(C[NH+]2CCC(CC2)n2nccc2[*:1])n1
O=C(Nc1ccnn1C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1ccnn1C1CC[NH+](CC1)Cc1nc(no1)[*:1])c1ccccc1
CCC[C@]1(CO)CCCN(c2ccc(C[NH3+])cn2)C1 CCC[*:1] [NH3+]Cc1ccc(nc1)N1CCC[C@@](CO)(C1)[*:1]
COC(=O)c1ccc(/C=C/C[NH2+]C(C)C)cc1 CC(C)[*:1] COC(=O)c1ccc(/C=C/C[NH2+][*:1])cc1
COC(=O)c1ccc(/C=C/C[NH2+]C(C)C)cc1 COC(=O)[*:1] CC(C)[NH2+]C/C=C/c1ccc(cc1)[*:1]
CC(=O)c1cccc(OC(=O)CCCc2c[nH]c3ccccc23)c1 CC(=O)[*:1] O=C(CCCc1c[nH]c2ccccc12)Oc1cccc(c1)[*:1]
C[C@H](NC(=O)c1cccs1)C(=O)N1CCc2sccc2[C@H]1C c1csc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)N1CCc2sccc2[C@H]1C
OCC[C@H](Nc1ccc2nnc(-c3ccccc3)n2n1)c1cccs1 OCC[*:1] c1ccc(cc1)-c1nnc2ccc(nn12)N[C@H](c1cccs1)[*:1]
OCC[C@H](Nc1ccc2nnc(-c3ccccc3)n2n1)c1cccs1 c1ccc(cc1)[*:1] OCC[C@H](Nc1ccc2nnc(n2n1)[*:1])c1cccs1
OCC[C@H](Nc1ccc2nnc(-c3ccccc3)n2n1)c1cccs1 c1csc(c1)[*:1] OCC[C@H](Nc1ccc2nnc(-c3ccccc3)n2n1)[*:1]
CN(CC1CCCCC1)C(=O)CSc1ncn(-c2ccccc2)n1 C1CCC(CC1)[*:1] CN(C[*:1])C(=O)CSc1ncn(n1)-c1ccccc1
CN(CC1CCCCC1)C(=O)CSc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CN(CC1CCCCC1)C(=O)CSc1ncn(n1)[*:1]
CN(CC1CCCCC1)C(=O)CSc1ncn(-c2ccccc2)n1 C1CCC(CC1)C[*:1] CN(C(=O)CSc1ncn(n1)-c1ccccc1)[*:1]
CN(Cc1nccs1)S(=O)(=O)c1ccc(C#N)cc1 c1csc(C[*:1])n1 CN(S(=O)(=O)c1ccc(C#N)cc1)[*:1]
CN(Cc1nccs1)S(=O)(=O)c1ccc(C#N)cc1 c1csc(n1)[*:1] CN(C[*:1])S(=O)(=O)c1ccc(C#N)cc1
Cc1cc(C)c2nc(NN)c(-c3ccccc3)cc2c1 c1ccc(cc1)[*:1] Cc1cc(C)c2nc(NN)c(cc2c1)[*:1]
O=S(=O)(/N=C(\[O-])CCc1nc(-c2cccnc2)no1)c1cc(F)ccc1F c1cncc(c1)[*:1] O=S(=O)(/N=C(\[O-])CCc1nc(no1)[*:1])c1cc(F)ccc1F
O=S(=O)(/N=C(\[O-])CCc1nc(-c2cccnc2)no1)c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=S(=O)(/N=C(\[O-])CCc1nc(no1)-c1cccnc1)[*:1]
c1ccc([C@@H]2CN/C(=[NH+]\Cc3cccs3)S2)cc1 c1ccc(cc1)[*:1] c1csc(c1)C/[NH+]=C1\NC[C@H](S1)[*:1]
c1ccc([C@@H]2CN/C(=[NH+]\Cc3cccs3)S2)cc1 c1csc(c1)C[*:1] c1ccc(cc1)[C@@H]1CNC(=[NH+][*:1])S1
c1ccc([C@@H]2CN/C(=[NH+]\Cc3cccs3)S2)cc1 c1csc(c1)[*:1] c1ccc(cc1)[C@@H]1CN/C(=[NH+]\C[*:1])S1
CN(C)C(=O)c1ccc(CN2CCO[C@H](c3ccc(Br)cc3)C2)[nH]1 CN(C)C(=O)[*:1] Brc1ccc(cc1)[C@@H]1CN(CCO1)Cc1ccc([nH]1)[*:1]
CN(C)C(=O)c1ccc(CN2CCO[C@H](c3ccc(Br)cc3)C2)[nH]1 Brc1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(CN2CCO[C@H](C2)[*:1])[nH]1
CC[C@@H]1CCc2sc(-c3nnc(SCc4nnnn4-c4ccccc4)n3C)cc2C1 c1ccc(cc1)[*:1] CC[C@@H]1CCc2sc(cc2C1)-c1nnc(SCc2nnnn2[*:1])n1C
O=C(Cn1ncc2ccccc2c1=O)NNc1nc(-c2ccccc2)no1 c1ccc(cc1)[*:1] O=C(Cn1ncc2ccccc2c1=O)NNc1nc(no1)[*:1]
CC1(C)CC2=C(CO1)C1=NN[C@@H](SCC3[NH+]=c4ccccc4=[NH+]3)N1[C@H](Nc1ccccc1)[C@@H]2C#N c1ccc(cc1)N[*:1] CC1(C)CC2=C(CO1)C1=NN[C@@H](SCC3[NH+]=c4ccccc4=[NH+]3)N1[C@H]([C@@H]2C#N)[*:1]
CC1(C)CC2=C(CO1)C1=NN[C@@H](SCC3[NH+]=c4ccccc4=[NH+]3)N1[C@H](Nc1ccccc1)[C@@H]2C#N c1ccc(cc1)[*:1] CC1(C)CC2=C(CO1)C1=NN[C@@H](SCC3[NH+]=c4ccccc4=[NH+]3)N1[C@H](N[*:1])[C@@H]2C#N
Cc1cc(=O)n([C@H](C)C(=O)NN)cc1[N+](=O)[O-] NNC(=O)[*:1] Cc1cc(=O)n(cc1[N+](=O)[O-])[C@H](C)[*:1]
Cc1cc(=O)n([C@H](C)C(=O)NN)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(=O)n(cc1[*:1])[C@H](C)C(=O)NN
CCCNC(=O)c1ccc(Oc2ccccc2OC)o1 CCCNC(=O)[*:1] COc1ccccc1Oc1ccc(o1)[*:1]
CCCNC(=O)c1ccc(Oc2ccccc2OC)o1 CCC[*:1] COc1ccccc1Oc1ccc(o1)C(=O)N[*:1]
Cc1ccc(C(=O)NNC(=O)c2cccc(C)n2)c(O)c1 Cc1cccc(n1)[*:1] Cc1ccc(C(=O)NNC(=O)[*:1])c(O)c1
C#CCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)cc1OC Fc1ccc(cc1)C[*:1] C#CCOc1ccc(cc1OC)[C@H]1CC(=O)Nc2c1c(=O)nc(S[*:1])n2C
C#CCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)cc1OC C#CC[*:1] COc1cc(ccc1O[*:1])[C@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccc(F)cc1)n2C
C#CCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)cc1OC C#CCO[*:1] COc1cc(ccc1[*:1])[C@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccc(F)cc1)n2C
C#CCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)cc1OC Fc1ccc(cc1)CS[*:1] C#CCOc1ccc(cc1OC)[C@H]1CC(=O)Nc2c1c(=O)nc(n2C)[*:1]
C#CCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)cc1OC Fc1ccc(cc1)[*:1] C#CCOc1ccc(cc1OC)[C@H]1CC(=O)Nc2c1c(=O)nc(SC[*:1])n2C
O=C(N/N=C/c1ccccc1)C1=NN=C(c2cccc3ccccc23)C1 c1ccc(cc1)[*:1] O=C(NN=C[*:1])C1CC(=NN=1)c1cccc2ccccc12
C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC)=C(C)N2 Clc1ccc(cc1)[*:1] C=CCSc1nc2NC(C)=C(C(=O)OC)[C@H](c2c(=O)[nH]1)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC)=C(C)N2 COC(=O)[*:1] C=CCSc1nc2NC(C)=C([C@H](c3ccc(Cl)cc3)c2c(=O)[nH]1)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC)=C(C)N2 C=CCS[*:1] COC(=O)C1=C(C)Nc2nc([nH]c(=O)c2[C@H]1c1ccc(Cl)cc1)[*:1]
C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC)=C(C)N2 C=CC[*:1] COC(=O)C1=C(C)Nc2nc([nH]c(=O)c2[C@H]1c1ccc(Cl)cc1)S[*:1]
CO[C@H](C)C(=O)NCc1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CO[C@H](C)C(=O)NCc1ccc(cc1)[*:1]
CO[C@H](C)C(=O)NCc1ccc(S(C)(=O)=O)cc1 CO[C@H](C)[*:1] CS(=O)(=O)c1ccc(cc1)CNC(=O)[*:1]
COC(=O)Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 COC(=O)C[*:1] N#Cc1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
COC(=O)Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 COC(=O)[*:1] N#Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C[*:1]
COC(=O)[C@H](Nc1ccc(C(N)=O)cc1)c1ccccc1Cl NC(=O)[*:1] COC(=O)[C@H](Nc1ccc(cc1)[*:1])c1ccccc1Cl
COC(=O)[C@H](Nc1ccc(C(N)=O)cc1)c1ccccc1Cl COC(=O)[*:1] NC(=O)c1ccc(cc1)N[C@H](c1ccccc1Cl)[*:1]
COC(=O)[C@H](Nc1ccc(C(N)=O)cc1)c1ccccc1Cl Clc1ccccc1[*:1] COC(=O)[C@H](Nc1ccc(cc1)C(N)=O)[*:1]
Cc1c(C(=O)[C@H](C#N)c2nnc(-c3ccccc3)n2C)sc2ccc(F)cc12 c1ccc(cc1)[*:1] Cc1c(sc2ccc(F)cc12)C(=O)[C@H](C#N)c1nnc(n1C)[*:1]
Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[*:1]
Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@@H]1CCCO1 C1CO[C@@H](C1)C[*:1] Cc1oc2nc[nH]c(=O)c2c1C(=O)N[*:1]
O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 O=[N+]([O-])[*:1] O=S(=O)(c1ccccc1)N1CCN(CC1)Cc1ccc(cc1)[*:1]
O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(cc1)CN1CCN(CC1)S(=O)(=O)[*:1]
C[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)[C@@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@H](CNC(=O)[*:1])NC(=O)[C@@H]1CCCO1
C[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)[*:1]
CC(C)N(C(=O)[C@H]1CCO[C@H]1C)C1CCC1 C1CC(C1)[*:1] CC(C)N(C(=O)[C@H]1CCO[C@H]1C)[*:1]
CC(C)N(C(=O)[C@H]1CCO[C@H]1C)C1CCC1 CC(C)[*:1] C[C@@H]1OCC[C@@H]1C(=O)N(C1CCC1)[*:1]
Cc1noc(C)c1CN1CC[NH+](Cc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 Cc1noc(C)c1C[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1C[NH+]1CCN(CC1)[*:1]
Cc1noc(C)c1CN1CC[NH+](Cc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 Cc1noc(C)c1[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccccc1C[NH+]1CCN(CC1)C[*:1]
CC1(C)Oc2ccc(NC(=O)NCc3cn(-c4ccccc4)nn3)cc2O1 c1ccc(cc1)[*:1] CC1(C)Oc2ccc(cc2O1)NC(=O)NCc1cn(nn1)[*:1]
O=C(NC[C@@H]1CCCN(c2ncccn2)C1)[C@H]1Cc2ccccc2O1 c1cnc(nc1)[*:1] O=C(NC[C@@H]1CCCN(C1)[*:1])[C@H]1Cc2ccccc2O1
CNc1cc(-c2cncc(SCC(=O)[O-])n2)c2cc[nH]c2n1 O=C([O-])C[*:1] CNc1cc(-c2cncc(n2)S[*:1])c2cc[nH]c2n1
CNc1cc(-c2cncc(SCC(=O)[O-])n2)c2cc[nH]c2n1 O=C([O-])CS[*:1] CNc1cc(-c2cncc(n2)[*:1])c2cc[nH]c2n1
CNc1cc(-c2cncc(SCC(=O)[O-])n2)c2cc[nH]c2n1 O=C([O-])[*:1] CNc1cc(-c2cncc(n2)SC[*:1])c2cc[nH]c2n1
CCCN1C(=O)c2ccccc2N[C@@]1(C)C1CC1 CCC[*:1] C[C@]1(Nc2ccccc2C(=O)N1[*:1])C1CC1
CCCN1C(=O)c2ccccc2N[C@@]1(C)C1CC1 C1CC1[*:1] CCCN1C(=O)c2ccccc2N[C@]1(C)[*:1]
CCn1nccc1/C=C/CC[NH2+]C(C)(C)C CC(C)(C)[*:1] CCn1nccc1/C=C/CC[NH2+][*:1]
C[C@H](O)CCNC(=O)Cc1cc[nH]n1 C[C@H](O)[*:1] O=C(Cc1cc[nH]n1)NCC[*:1]
C[C@H](O)CCNC(=O)Cc1cc[nH]n1 C[C@H](O)C[*:1] O=C(Cc1cc[nH]n1)NC[*:1]
Cc1ccc(NC(=O)[C@@H](Cl)c2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1ccc(NC(=O)[C@@H](Cl)c2ccccc2)c(c1)[*:1]
Cc1ccc(NC(=O)[C@@H](Cl)c2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)[C@@H](Cl)[*:1])c(c1)[N+](=O)[O-]
C[C@@H]1CN(C(=O)Nc2c[nH]nc2-c2ccccn2)CCN1CC(F)(F)F c1ccc(nc1)[*:1] C[C@@H]1CN(CCN1CC(F)(F)F)C(=O)Nc1c[nH]nc1[*:1]
C[C@@H]1CN(C(=O)Nc2c[nH]nc2-c2ccccn2)CCN1CC(F)(F)F FC(F)(F)[*:1] C[C@@H]1CN(CCN1C[*:1])C(=O)Nc1c[nH]nc1-c1ccccn1
C[C@@H]1CN(C(=O)Nc2c[nH]nc2-c2ccccn2)CCN1CC(F)(F)F FC(F)(F)C[*:1] C[C@@H]1CN(CCN1[*:1])C(=O)Nc1c[nH]nc1-c1ccccn1
CCSC[C@H](C)N(C)C(=O)c1cc(-c2ccc(C)cc2)no1 Cc1ccc(cc1)[*:1] CCSC[C@H](C)N(C)C(=O)c1cc(no1)[*:1]
CCSC[C@H](C)N(C)C(=O)c1cc(-c2ccc(C)cc2)no1 CCSC[*:1] Cc1ccc(cc1)-c1cc(on1)C(=O)N(C)[C@@H](C)[*:1]
CCSC[C@H](C)N(C)C(=O)c1cc(-c2ccc(C)cc2)no1 CCS[*:1] Cc1ccc(cc1)-c1cc(on1)C(=O)N(C)[C@@H](C)C[*:1]
CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCOc2ccccc21 c1ccc(cc1)[*:1] CC[C@H](CS(=O)(=O)[*:1])[NH2+][C@@H]1CCOc2ccccc21
CC(C)Oc1ccccc1CC(=O)Nc1c(F)cccc1Br CC(C)[*:1] O=C(Cc1ccccc1O[*:1])Nc1c(F)cccc1Br
CC(C)Oc1ccccc1CC(=O)Nc1c(F)cccc1Br CC(C)O[*:1] O=C(Cc1ccccc1[*:1])Nc1c(F)cccc1Br
CN(C)c1ncc(CNCc2ccc(Cl)cc2)s1 CN(C)[*:1] Clc1ccc(cc1)CNCc1cnc(s1)[*:1]
Cc1cc(=O)oc2cc(OC(=O)C3CCN(C(=O)C4CC4)CC3)c(Cl)cc12 C1CC1[*:1] Cc1cc(=O)oc2cc(OC(=O)C3CCN(CC3)C(=O)[*:1])c(Cl)cc12
COc1ccc(CC(=O)Nc2cccc[n+]2Cc2ccccc2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)CC(=O)Nc1cccc[n+]1C[*:1]
COc1ccc(CC(=O)Nc2cccc[n+]2Cc2ccccc2)cc1OC c1ccc(cc1)C[*:1] COc1ccc(cc1OC)CC(=O)Nc1cccc[n+]1[*:1]
Fc1cccc(-c2nnn(-c3nc(-c4cccnc4)nc4ccccc34)n2)c1 c1cncc(c1)[*:1] Fc1cccc(c1)-c1nnn(n1)-c1nc(nc2ccccc12)[*:1]
Fc1cccc(-c2nnn(-c3nc(-c4cccnc4)nc4ccccc34)n2)c1 Fc1cccc(c1)[*:1] c1cncc(c1)-c1nc(c2ccccc2n1)-n1nnc(n1)[*:1]
CSC(C)(C)CNC(=O)N[C@H](C)c1ncc(C)s1 CSC(C)(C)C[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)N[*:1]
CSC(C)(C)CNC(=O)N[C@H](C)c1ncc(C)s1 CSC(C)(C)[*:1] Cc1cnc(s1)[C@@H](C)NC(=O)NC[*:1]
CSC(C)(C)CNC(=O)N[C@H](C)c1ncc(C)s1 Cc1cnc(s1)[*:1] CSC(C)(C)CNC(=O)N[C@H](C)[*:1]
O=C(CCc1ccc2c(c1)CCO2)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(CCc1ccc2OCCc2c1)N[*:1]
CCCn1c(C)nnc1SCC(=O)Nc1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] CCCn1c(C)nnc1SCC(=O)Nc1ccc(cc1)[*:1]
CCCn1c(C)nnc1SCC(=O)Nc1ccc(C(C)(C)C)cc1 CCC[*:1] Cc1nnc(SCC(=O)Nc2ccc(cc2)C(C)(C)C)n1[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2cc(C)sc2C)C1 CCNC(=O)[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)N1CCC[C@@H](C1)[*:1]
CCNC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2cc(C)sc2C)C1 Cc1cc(c(C)s1)[*:1] CCNC(=O)[C@H]1CCCN(C1)C(=O)N[C@H](C)[*:1]
C[C@@H](OC(=O)CC1=c2ccccc2=[NH+]C1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](OC(=O)CC1C[NH+]=c2ccccc2=1)C(=O)N[*:1]
Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C)[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C)[*:1]
Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C)[C@@H]1CCCO1 Fc1ccc(cc1)[*:1] Cc1onc(c1C(=O)N[C@H](C)[C@@H]1CCCO1)[*:1]
Cc1ccc(CCNCc2cnc(-c3cccnc3)s2)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)CCNCc1cnc(s1)[*:1]
Cc1ccc(CCNCc2cnc(-c3cccnc3)s2)cc1 Cc1ccc(cc1)[*:1] c1cncc(c1)-c1ncc(CNCC[*:1])s1
CC(C)[NH2+][C@@H]1CCCc2cc(F)ccc21 CC(C)[*:1] Fc1ccc2c(c1)CCC[C@H]2[NH2+][*:1]
CSC[C@@H](C)NC(=O)OC(C)(C)C CSC[*:1] C[C@@H](NC(=O)OC(C)(C)C)[*:1]
CSC[C@@H](C)NC(=O)OC(C)(C)C CC(C)(C)[*:1] CSC[C@@H](C)NC(=O)O[*:1]
C[C@H]1CCCN(C(=O)c2cn(C)c3c(=O)n(-c4ccc(Cl)cc4)c(=O)[nH]c23)C1 C[C@H]1CCCN(C1)C(=O)[*:1] Cn1cc(c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21)[*:1]
C[C@H]1CCCN(C(=O)c2cn(C)c3c(=O)n(-c4ccc(Cl)cc4)c(=O)[nH]c23)C1 Clc1ccc(cc1)[*:1] C[C@H]1CCCN(C1)C(=O)c1cn(C)c2c(=O)n(c(=O)[nH]c12)[*:1]
CN(CC(=O)NC1CC1)Cc1ccccc1C(F)(F)F C1CC1[*:1] CN(CC(=O)N[*:1])Cc1ccccc1C(F)(F)F
CN(CC(=O)NC1CC1)Cc1ccccc1C(F)(F)F O=C(NC1CC1)[*:1] CN(Cc1ccccc1C(F)(F)F)C[*:1]
CN(CC(=O)NC1CC1)Cc1ccccc1C(F)(F)F FC(F)(F)[*:1] CN(CC(=O)NC1CC1)Cc1ccccc1[*:1]
CC(C)Oc1ccc(C(=O)NN2CCOCC2)cn1 CC(C)O[*:1] O=C(NN1CCOCC1)c1ccc(nc1)[*:1]
CC(C)Oc1ccc(C(=O)NN2CCOCC2)cn1 CC(C)[*:1] O=C(NN1CCOCC1)c1ccc(nc1)O[*:1]
C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@H](O)c1ccco1 O[C@H](c1ccco1)[*:1] C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[*:1]
C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@H](O)c1ccco1 c1coc(c1)[*:1] C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@H](O)[*:1]
Cc1cc(C)cc(NC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)c1 Cc1cc(C)cc(c1)[*:1] O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N[*:1]
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)C[*:1] O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CC(=O)N(C1)[*:1]
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CC(=O)N(Cc2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CC(=O)N(C1)C[*:1]
CCC[n+]1c(NC(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 CCC[*:1] CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2[n+](c1NC(=O)c1cccc(C)c1)[*:1]
CCC[n+]1c(NC(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 CCOC(=O)[*:1] CCC[n+]1c(NC(=O)c2cccc(C)c2)c(cc2c(=O)n3cccc(C)c3nc21)[*:1]
CCC[n+]1c(NC(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 Cc1cccc(c1)[*:1] CCC[n+]1c(NC(=O)[*:1])c(cc2c(=O)n3cccc(C)c3nc21)C(=O)OCC
CCC[n+]1c(NC(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 Cc1cccc(c1)C(=O)N[*:1] CCC[n+]1c(c(cc2c(=O)n3cccc(C)c3nc21)C(=O)OCC)[*:1]
COCc1nc(C)cc(N[C@@H](C)[C@H](C)CO)n1 COC[*:1] Cc1cc(nc(n1)[*:1])N[C@@H](C)[C@H](C)CO
COCc1nc(C)cc(N[C@@H](C)[C@H](C)CO)n1 C[C@H](CO)[*:1] COCc1nc(C)cc(n1)N[C@@H](C)[*:1]
COc1cccc([C@@H]2CN(C(=O)Nc3cc(C)cc4cccnc34)CCO2)c1 COc1cccc(c1)[*:1] Cc1cc(NC(=O)N2CCO[C@@H](C2)[*:1])c2ncccc2c1
Cc1cc(NC(=O)[C@@H](c2ccccc2)[S@@](=O)Cc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@@H]([S@@](=O)Cc1ccccc1)[*:1]
Cc1cc(NC(=O)[C@@H](c2ccccc2)[S@@](=O)Cc2ccccc2)no1 c1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)[C@@H](c1ccccc1)[S@@](=O)C[*:1]
Cc1cc(NC(=O)[C@@H](c2ccccc2)[S@@](=O)Cc2ccccc2)no1 c1ccc(cc1)C[*:1] Cc1cc(no1)NC(=O)[C@@H](c1ccccc1)[S@@](=O)[*:1]
Cc1cc(NC(=O)[C@@H](c2ccccc2)[S@@](=O)Cc2ccccc2)no1 Cc1cc(no1)[*:1] O=C(N[*:1])[C@@H](c1ccccc1)[S@@](=O)Cc1ccccc1
CCC(CC)[C@H](C)NC(=O)c1ccc(Br)nc1 CCC(CC)[*:1] C[C@H](NC(=O)c1ccc(Br)nc1)[*:1]
CCNC(=O)NC1(C(=O)N[C@@H](C)C(=O)N[C@H](C)CC)CCCC1 CC[C@@H](C)NC(=O)[*:1] CCNC(=O)NC1(CCCC1)C(=O)N[C@@H](C)[*:1]
CCNC(=O)NC1(C(=O)N[C@@H](C)C(=O)N[C@H](C)CC)CCCC1 CCNC(=O)N[*:1] CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(CCCC1)[*:1]
CCNC(=O)NC1(C(=O)N[C@@H](C)C(=O)N[C@H](C)CC)CCCC1 CC[C@@H](C)[*:1] CCNC(=O)NC1(CCCC1)C(=O)N[C@@H](C)C(=O)N[*:1]
COc1ccccc1NC1CCN(C(=O)NC[C@@H](C)N2CCOCC2)CC1 COc1ccccc1[*:1] C[C@H](CNC(=O)N1CCC(CC1)N[*:1])N1CCOCC1
COc1ccccc1NC1CCN(C(=O)NC[C@@H](C)N2CCOCC2)CC1 C1CN(CCO1)[*:1] COc1ccccc1NC1CCN(CC1)C(=O)NC[C@@H](C)[*:1]
COc1ccccc1NC1CCN(C(=O)NC[C@@H](C)N2CCOCC2)CC1 COc1ccccc1N[*:1] C[C@H](CNC(=O)N1CCC(CC1)[*:1])N1CCOCC1
CC(C)NC(=O)Cc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 CC(C)NC(=O)[*:1] O=C(Nc1ccc(cc1)C[*:1])N1CCC[C@H]2CCC[C@@H]21
CC(C)NC(=O)Cc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 CC(C)[*:1] O=C(Cc1ccc(cc1)NC(=O)N1CCC[C@H]2CCC[C@@H]21)N[*:1]
CC(C)NC(=O)Cc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 CC(C)NC(=O)C[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[C@H]2CCC[C@@H]21
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc(F)cc(F)c1 C[S@](=O)[*:1] C[C@@H](c1ccc(cc1)[*:1])N(C)C(=O)c1cc(F)cc(F)c1
O=C(CC1CCC1)NC[C@H]1CCCN(c2ncccn2)C1 C1CC(C1)[*:1] O=C(C[*:1])NC[C@H]1CCCN(C1)c1ncccn1
O=C(CC1CCC1)NC[C@H]1CCCN(c2ncccn2)C1 C1CC(C1)C[*:1] O=C(NC[C@H]1CCCN(C1)c1ncccn1)[*:1]
O=C(CC1CCC1)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] O=C(CC1CCC1)NC[C@H]1CCCN(C1)[*:1]
CC(C)Oc1ccc(CNC(=O)Nc2ccccc2OC(C)C)cn1 CC(C)O[*:1] CC(C)Oc1ccc(cn1)CNC(=O)Nc1ccccc1[*:1]
CC(C)Oc1ccc(CNC(=O)Nc2ccccc2OC(C)C)cn1 CC(C)O[*:1] CC(C)Oc1ccccc1NC(=O)NCc1ccc(nc1)[*:1]
CC(C)Oc1ccc(CNC(=O)Nc2ccccc2OC(C)C)cn1 CC(C)[*:1] CC(C)Oc1ccc(cn1)CNC(=O)Nc1ccccc1O[*:1]
CC(C)Oc1ccc(CNC(=O)Nc2ccccc2OC(C)C)cn1 CC(C)[*:1] CC(C)Oc1ccccc1NC(=O)NCc1ccc(nc1)O[*:1]
CCOC(=O)NNc1ccc([N+](=O)[O-])c2nonc12 O=[N+]([O-])[*:1] CCOC(=O)NNc1ccc(c2nonc12)[*:1]
Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1Cc2ccccc2O1 Cc1ccc(Br)cc1[*:1] O=C(NC[C@@H]1Cc2ccccc2O1)C(=O)N[*:1]
COc1ccc(CCC(=O)N2CCN(Cc3cnc4cnccn34)CC2)cc1 COc1ccc(cc1)C[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cnc2cnccn12
COc1ccc(CCC(=O)N2CCN(Cc3cnc4cnccn34)CC2)cc1 COc1ccc(cc1)[*:1] O=C(CC[*:1])N1CCN(CC1)Cc1cnc2cnccn12
CCCCOc1ccc(/C=C(\C#N)c2nc(C)cc(C)n2)cc1OC Cc1cc(C)nc(n1)[*:1] CCCCOc1ccc(/C=C(\C#N)[*:1])cc1OC
CCCCOc1ccc(/C=C(\C#N)c2nc(C)cc(C)n2)cc1OC CCCCO[*:1] COc1cc(/C=C(\C#N)c2nc(C)cc(C)n2)ccc1[*:1]
CCCCOc1ccc(/C=C(\C#N)c2nc(C)cc(C)n2)cc1OC CCCC[*:1] COc1cc(/C=C(\C#N)c2nc(C)cc(C)n2)ccc1O[*:1]
CCCCOc1ccc(/C=C(\C#N)c2nc(C)cc(C)n2)cc1OC CCC[*:1] COc1cc(/C=C(\C#N)c2nc(C)cc(C)n2)ccc1OC[*:1]
O=C1C[C@@H](Sc2c(F)c(F)cc(F)c2F)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] O=C1C[C@@H](Sc2c(F)c(F)cc(F)c2F)C(=O)N1[*:1]
Cc1ccc(-n2nnnc2SCc2ccccc2C#N)cc1 Cc1ccc(cc1)[*:1] N#Cc1ccccc1CSc1nnnn1[*:1]
C[NH+](C/C=C/c1ccc(C#N)cc1)C1CCC1 C1CC(C1)[*:1] C[NH+](C/C=C/c1ccc(C#N)cc1)[*:1]
O=C([C@@H](O)c1ccccc1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] O=C([C@@H](O)c1ccccc1)N1CCC(CC1)O[*:1]
O=C([C@@H](O)c1ccccc1)N1CCC(OCc2ccc(F)cc2)CC1 O[C@@H](c1ccccc1)[*:1] O=C(N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
O=C([C@@H](O)c1ccccc1)N1CCC(OCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] O=C([C@@H](O)c1ccccc1)N1CCC(CC1)OC[*:1]
O=C([C@@H](O)c1ccccc1)N1CCC(OCc2ccc(F)cc2)CC1 c1ccc(cc1)[*:1] O=C([C@@H](O)[*:1])N1CCC(CC1)OCc1ccc(F)cc1
Cc1cc(C(=O)N2CCN(S(=O)(=O)CC3CCC3)CC2)c(C)o1 C1CC(C1)[*:1] Cc1cc(C(=O)N2CCN(CC2)S(=O)(=O)C[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(S(=O)(=O)CC3CCC3)CC2)c(C)o1 C1CC(C1)C[*:1] Cc1cc(C(=O)N2CCN(CC2)S(=O)(=O)[*:1])c(C)o1
Cc1cc(C(=O)N2CCN(S(=O)(=O)CC3CCC3)CC2)c(C)o1 Cc1cc(c(C)o1)[*:1] O=C(N1CCN(CC1)S(=O)(=O)CC1CCC1)[*:1]
COCCCOc1ccccc1NC(=O)[C@H]1CCO[C@H]1C COCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1OC[*:1]
COCCCOc1ccccc1NC(=O)[C@H]1CCO[C@H]1C COCCC[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1O[*:1]
COCCCOc1ccccc1NC(=O)[C@H]1CCO[C@H]1C COCCCO[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1[*:1]
COCCCOc1ccccc1NC(=O)[C@H]1CCO[C@H]1C COC[*:1] C[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1OCC[*:1]
COc1cccc(C[C@H]2CN(C(=O)c3cc(=O)c4ccccc4[nH]3)CCO2)c1 COc1cccc(c1)[*:1] O=C(c1cc(=O)c2ccccc2[nH]1)N1CCO[C@H](C1)C[*:1]
COc1cccc(C[C@H]2CN(C(=O)c3cc(=O)c4ccccc4[nH]3)CCO2)c1 COc1cccc(c1)C[*:1] O=C(c1cc(=O)c2ccccc2[nH]1)N1CCO[C@H](C1)[*:1]
Cc1ccccc1NC(=O)N1CCCSC[C@H]1C[NH+](C)C Cc1ccccc1[*:1] C[NH+](C)C[C@@H]1CSCCCN1C(=O)N[*:1]
O=C(CCNC(=O)c1cnn(Cc2ccccc2)c1)N[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)[*:1] O=C(CCNC(=O)c1cnn(c1)C[*:1])N[C@H]1CCS(=O)(=O)C1
O=C(CCNC(=O)c1cnn(Cc2ccccc2)c1)N[C@H]1CCS(=O)(=O)C1 c1ccc(cc1)C[*:1] O=C(CCNC(=O)c1cnn(c1)[*:1])N[C@H]1CCS(=O)(=O)C1
CC(C)c1ccc(OCCNC(=O)Cc2c[nH]c3ccccc23)cc1 CC(C)[*:1] O=C(Cc1c[nH]c2ccccc12)NCCOc1ccc(cc1)[*:1]
C[C@@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1cccc(C(F)(F)F)c1 c1ccc(cc1)[*:1] C[C@@H](N[C@H](C(=O)N(C)C)[*:1])c1cccc(c1)C(F)(F)F
C[C@@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1cccc(c1)[*:1]
C[C@@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1cccc(C(F)(F)F)c1 CN(C)C(=O)[*:1] C[C@@H](N[C@H](c1ccccc1)[*:1])c1cccc(c1)C(F)(F)F
O=C(Cn1cccn1)N1CCN(S(=O)(=O)C2CC2)CC1 C1CC1[*:1] O=C(Cn1cccn1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(Cn1cccn1)N1CCN(S(=O)(=O)C2CC2)CC1 c1cnn(c1)[*:1] O=C(C[*:1])N1CCN(CC1)S(=O)(=O)C1CC1
O=C(Cn1cccn1)N1CCN(S(=O)(=O)C2CC2)CC1 c1cnn(c1)C[*:1] O=C(N1CCN(CC1)S(=O)(=O)C1CC1)[*:1]
COc1cc(/C=N\NC(=O)c2ccc(O)cc2O)ccc1OCc1ccccc1 Oc1ccc(c(O)c1)[*:1] COc1cc(/C=N\NC(=O)[*:1])ccc1OCc1ccccc1
COc1cc(/C=N\NC(=O)c2ccc(O)cc2O)ccc1OCc1ccccc1 c1ccc(cc1)CO[*:1] COc1cc(/C=N\NC(=O)c2ccc(O)cc2O)ccc1[*:1]
COc1cc(/C=N\NC(=O)c2ccc(O)cc2O)ccc1OCc1ccccc1 c1ccc(cc1)C[*:1] COc1cc(/C=N\NC(=O)c2ccc(O)cc2O)ccc1O[*:1]
COc1cc(/C=N\NC(=O)c2ccc(O)cc2O)ccc1OCc1ccccc1 c1ccc(cc1)[*:1] COc1cc(/C=N\NC(=O)c2ccc(O)cc2O)ccc1OC[*:1]
COc1cc(OC)cc(C(=O)Nc2cnc(N(C)C)nc2)c1 CN(C)[*:1] COc1cc(cc(c1)C(=O)Nc1cnc(nc1)[*:1])OC
C[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1c1ccc(cc1)[*:1]
NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 NC(=O)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc(cc1)OC(F)(F)F
NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 FC(F)(F)[*:1] NC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)O[*:1]
NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 FC(F)(F)O[*:1] NC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[*:1]
N#C/C(C(=O)CCc1ccco1)=C(/[O-])Nc1ccccc1Br c1coc(c1)CC[*:1] N#C/C(C(=O)[*:1])=C(/[O-])Nc1ccccc1Br
N#C/C(C(=O)CCc1ccco1)=C(/[O-])Nc1ccccc1Br c1coc(c1)C[*:1] N#C/C(C(=O)C[*:1])=C(/[O-])Nc1ccccc1Br
N#C/C(C(=O)CCc1ccco1)=C(/[O-])Nc1ccccc1Br Brc1ccccc1[*:1] N#C/C(C(=O)CCc1ccco1)=C(/[O-])N[*:1]
N#C/C(C(=O)CCc1ccco1)=C(/[O-])Nc1ccccc1Br c1coc(c1)[*:1] N#C/C(C(=O)CC[*:1])=C(/[O-])Nc1ccccc1Br
C[C@H](Cc1cccc(F)c1)C(=O)NCC(C)(C)c1ccccc1F Fc1ccccc1[*:1] C[C@H](Cc1cccc(F)c1)C(=O)NCC(C)(C)[*:1]
C[C@H](Cc1cccc(F)c1)C(=O)NCC(C)(C)c1ccccc1F Fc1cccc(c1)[*:1] C[C@H](C[*:1])C(=O)NCC(C)(C)c1ccccc1F
C[C@H](Cc1cccc(F)c1)C(=O)NCC(C)(C)c1ccccc1F Fc1cccc(c1)C[*:1] C[C@H](C(=O)NCC(C)(C)c1ccccc1F)[*:1]
COC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CCN(C(=O)OC)C2 Fc1cccc(F)c1[*:1] COC(=O)c1c(NC(=O)[*:1])sc2CN(CCc21)C(=O)OC
COC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CCN(C(=O)OC)C2 COC(=O)[*:1] COC(=O)N1CCc2c(C1)sc(NC(=O)c1c(F)cccc1F)c2[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2cccc(Br)c2)s1 Cc1nc(C)c(s1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2cccc(Br)c2)N1Cc1ccccc1
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2cccc(Br)c2)s1 Brc1cccc(c1)[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2cccc(Br)c2)s1 c1ccc(cc1)[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1cccc(Br)c1
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2cccc(Br)c2)s1 c1ccc(cc1)C[*:1] Cc1nc(C)c(s1)C(=O)C1=C([O-])C(=O)N([C@H]1c1cccc(Br)c1)[*:1]
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccccc3)[C@H]2c2cccc(Br)c2)s1 Cc1nc(C)c(s1)C(=O)[*:1] O=C1C([O-])=C([C@H](c2cccc(Br)c2)N1Cc1ccccc1)[*:1]
CN(Cc1ccco1)C(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 c1coc(c1)[*:1] CN(C[*:1])C(=O)c1cc2occc2c(n1)Nc1ccc(F)cc1
CN(Cc1ccco1)C(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 Fc1ccc(cc1)N[*:1] CN(Cc1ccco1)C(=O)c1cc2occc2c(n1)[*:1]
CN(Cc1ccco1)C(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 c1coc(c1)C[*:1] CN(C(=O)c1cc2occc2c(n1)Nc1ccc(F)cc1)[*:1]
CN(Cc1ccco1)C(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] CN(Cc1ccco1)C(=O)c1cc2occc2c(n1)N[*:1]
CO[C@@H](CNC(=O)NC[C@H](O)c1ccsc1)c1cccc(Cl)c1 c1cc(cs1)[*:1] CO[C@@H](CNC(=O)NC[C@H](O)[*:1])c1cccc(Cl)c1
CO[C@@H](CNC(=O)NC[C@H](O)c1ccsc1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CO[C@@H](CNC(=O)NC[C@H](O)c1ccsc1)[*:1]
CO[C@@H](CNC(=O)NC[C@H](O)c1ccsc1)c1cccc(Cl)c1 O[C@H](c1ccsc1)[*:1] CO[C@@H](CNC(=O)NC[*:1])c1cccc(Cl)c1
O=C(COC(=O)c1ccco1)c1ccc2c(c1)-c1ccccc1C2 O=C(O[*:1])c1ccco1 O=C(C[*:1])c1ccc2Cc3ccccc3-c2c1
O=C(COC(=O)c1ccco1)c1ccc2c(c1)-c1ccccc1C2 c1coc(c1)[*:1] O=C(COC(=O)[*:1])c1ccc2Cc3ccccc3-c2c1
CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 CCNC(=O)[*:1] O=S(=O)(N[C@@H](Cc1ccccc1)[*:1])c1ccc(Cl)cc1
CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 c1ccc(cc1)[*:1] CCNC(=O)[C@H](C[*:1])NS(=O)(=O)c1ccc(Cl)cc1
CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 c1ccc(cc1)C[*:1] CCNC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[*:1]
CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)[*:1]
CC1=C[C@H]2C(=O)NC(CSCC(=O)Nc3ncc(C)s3)=N[C@H]2S1 Cc1cnc(s1)[*:1] CC1=C[C@H]2C(=O)NC(CSCC(=O)N[*:1])=N[C@H]2S1
O=C(CSc1nnc(-c2ccncc2)n1-n1cccc1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] O=C(CSc1nnc(-c2ccncc2)n1-n1cccc1)N[*:1]
O=C(CSc1nnc(-c2ccncc2)n1-n1cccc1)Nc1cccc(C(F)(F)F)c1 c1cc(ccn1)[*:1] O=C(CSc1nnc(n1-n1cccc1)[*:1])Nc1cccc(c1)C(F)(F)F
O=C(CSc1nnc(-c2ccncc2)n1-n1cccc1)Nc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(CSc1nnc(-c2ccncc2)n1-n1cccc1)Nc1cccc(c1)[*:1]
CC(C)[C@@H]([NH2+][C@H]1C[C@H]1C)c1ccc2c(c1)CCO2 CC(C)[*:1] C[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccc2OCCc2c1)[*:1]
C[C@@H](CNC(=O)[C@@H](C)n1cncn1)c1c(Cl)cccc1Cl c1ncn(n1)[*:1] C[C@@H](CNC(=O)[C@@H](C)[*:1])c1c(Cl)cccc1Cl
C[C@@H](CNC(=O)[C@@H](C)n1cncn1)c1c(Cl)cccc1Cl C[C@@H](n1cncn1)[*:1] C[C@@H](CNC(=O)[*:1])c1c(Cl)cccc1Cl
Cc1nc([C@H](NC(=O)C2=CCCCO2)c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(N[C@H](c1ccccc1)[*:1])C1=CCCCO1
Cc1nc([C@H](NC(=O)C2=CCCCO2)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@H](NC(=O)C1=CCCCO1)[*:1]
CCCC(=O)N1CSC[C@H]1C(=O)N(c1ccccc1)c1nc(C)cs1 c1ccc(cc1)[*:1] CCCC(=O)N1CSC[C@H]1C(=O)N(c1nc(C)cs1)[*:1]
CCCC(=O)N1CSC[C@H]1C(=O)N(c1ccccc1)c1nc(C)cs1 CCC[*:1] Cc1csc(n1)N(C(=O)[C@@H]1CSCN1C(=O)[*:1])c1ccccc1
CCCC(=O)N1CSC[C@H]1C(=O)N(c1ccccc1)c1nc(C)cs1 Cc1csc(n1)[*:1] CCCC(=O)N1CSC[C@H]1C(=O)N(c1ccccc1)[*:1]
O=C(c1cc2cc(F)ccc2o1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] O=C(c1cc2cc(F)ccc2o1)N1C[C@H](O)C[C@H]1[*:1]
O=C(NNC(=O)Oc1ccccc1)Oc1ccccc1 c1ccc(cc1)[*:1] O=C(NNC(=O)O[*:1])Oc1ccccc1
Cc1ccc(C(=O)Cc2nc3sc(C(C)(C)C)cc3c(=O)[nH]2)cc1F CC(C)(C)[*:1] Cc1ccc(cc1F)C(=O)Cc1nc2sc(cc2c(=O)[nH]1)[*:1]
Cc1ccc(C(=O)Cc2nc3sc(C(C)(C)C)cc3c(=O)[nH]2)cc1F Cc1ccc(cc1F)[*:1] CC(C)(C)c1cc2c(=O)[nH]c(CC(=O)[*:1])nc2s1
Cc1nc(C[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)cs1 Cc1nc(cs1)C[*:1] Cc1nn(C)c(c1C[NH2+][*:1])N1CCOCC1
Cc1nc(C[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)cs1 C1CN(CCO1)[*:1] Cc1nc(cs1)C[NH2+]Cc1c(C)nn(C)c1[*:1]
Cc1nc(C[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)cs1 Cc1nc(cs1)[*:1] Cc1nn(C)c(c1C[NH2+]C[*:1])N1CCOCC1
COc1cc(CN2CCO[C@H](c3cccs3)C2)ccc1OCC(F)(F)F FC(F)(F)[*:1] COc1cc(ccc1OC[*:1])CN1CCO[C@@H](C1)c1cccs1
COc1cc(CN2CCO[C@H](c3cccs3)C2)ccc1OCC(F)(F)F c1csc(c1)[*:1] COc1cc(ccc1OCC(F)(F)F)CN1CCO[C@H](C1)[*:1]
COc1cc(CN2CCO[C@H](c3cccs3)C2)ccc1OCC(F)(F)F FC(F)(F)CO[*:1] COc1cc(ccc1[*:1])CN1CCO[C@@H](C1)c1cccs1
COc1cc(CN2CCO[C@H](c3cccs3)C2)ccc1OCC(F)(F)F FC(F)(F)C[*:1] COc1cc(ccc1O[*:1])CN1CCO[C@@H](C1)c1cccs1
CCN(C(=O)/C=C/c1sc2ccccc2c1Cl)[C@H](C)COC COC[*:1] CCN(C(=O)/C=C/c1sc2ccccc2c1Cl)[C@H](C)[*:1]
CCN(C(=O)/C=C/c1sc2ccccc2c1Cl)[C@H](C)COC COC[C@@H](C)[*:1] CCN(C(=O)/C=C/c1sc2ccccc2c1Cl)[*:1]
O=C(NC1CCCCC1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 C1CCC(CC1)[*:1] O=C(N[*:1])N(CCCO)Cc1cc2cc3OCCOc3cc2[nH]c1=O
O=C(NC1CCCCC1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 OCCC[*:1] O=C(NC1CCCCC1)N(Cc1cc2cc3OCCOc3cc2[nH]c1=O)[*:1]
O=C(NC1CCCCC1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 OCC[*:1] O=C(NC1CCCCC1)N(Cc1cc2cc3OCCOc3cc2[nH]c1=O)C[*:1]
CC(C)Cc1noc(CN2CCOC[C@@H]2C2CC2)n1 C1CC1[*:1] CC(C)Cc1noc(CN2CCOC[C@H]2[*:1])n1
CC(C)Cc1noc(CN2CCOC[C@@H]2C2CC2)n1 CC(C)[*:1] C1CN(Cc2nc(C[*:1])no2)[C@H](CO1)C1CC1
CC(C)Cc1noc(CN2CCOC[C@@H]2C2CC2)n1 CC(C)C[*:1] C1CN(Cc2nc(no2)[*:1])[C@H](CO1)C1CC1
COc1ccc(C(=O)NCC(=O)N2CCC[C@H](C(=O)N(C)C)C2)cc1OC CN(C)C(=O)[*:1] COc1ccc(cc1OC)C(=O)NCC(=O)N1CCC[C@H](C1)[*:1]
CCN(C[C@H]1CCOC1)C(=O)Cn1nc([O-])ccc1=O C1C[C@@H](CO1)[*:1] CCN(C[*:1])C(=O)Cn1nc([O-])ccc1=O
CCN(C[C@H]1CCOC1)C(=O)Cn1nc([O-])ccc1=O C1C[C@@H](CO1)C[*:1] CCN(C(=O)Cn1nc([O-])ccc1=O)[*:1]
COc1ccccc1CNC(=O)[C@@H](C)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] COc1ccccc1CNC(=O)[C@@H](C)O[*:1]
c1ccc2c(c1)C[C@H](COC[C@@H]1CCCO1)S2 C1CO[C@@H](C1)[*:1] c1ccc2S[C@@H](COC[*:1])Cc2c1
O=C(C[n+]1ccccc1CCNc1cccc(Cl)c1)c1ccc(Cl)cc1 Clc1cccc(c1)[*:1] O=C(C[n+]1ccccc1CCN[*:1])c1ccc(Cl)cc1
O=C(C[n+]1ccccc1CCNc1cccc(Cl)c1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(C[n+]1ccccc1CCNc1cccc(Cl)c1)[*:1]
O=C(C[n+]1ccccc1CCNc1cccc(Cl)c1)c1ccc(Cl)cc1 Clc1cccc(c1)N[*:1] O=C(C[n+]1ccccc1CC[*:1])c1ccc(Cl)cc1
CCCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 CCC[*:1] O=C(N[*:1])c1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
CCCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 CCCNC(=O)[*:1] O=S(=O)(c1ccc(cc1)-c1nnc(o1)[*:1])N1CCOCC1
C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(F)cc1F N#Cc1ccsc1[*:1] C[C@@H]([NH2+]CCC(=O)N[*:1])c1ccc(F)cc1F
O=C(Nc1cccc(CNC(=O)N2CCC[C@H](CCO)C2)c1)C1CCC1 C1CC(C1)[*:1] O=C(NCc1cccc(c1)NC(=O)[*:1])N1CCC[C@H](CCO)C1
O=C(Nc1cccc(CNC(=O)N2CCC[C@H](CCO)C2)c1)C1CCC1 O=C(N[*:1])C1CCC1 O=C(NCc1cccc(c1)[*:1])N1CCC[C@H](CCO)C1
O=C(Nc1cccc(CNC(=O)N2CCC[C@H](CCO)C2)c1)C1CCC1 OCC[*:1] O=C(Nc1cccc(c1)CNC(=O)N1CCC[C@H](C1)[*:1])C1CCC1
CN(C[C@@H](O)C1CC1)C(=O)Nc1cc(F)c(F)cc1F C1CC1[*:1] CN(C[C@@H](O)[*:1])C(=O)Nc1cc(F)c(F)cc1F
COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cc(Cl)ccc1Cl CC(C)[*:1] COC(=O)[C@H](C[*:1])NS(=O)(=O)c1cc(Cl)ccc1Cl
COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cc(Cl)ccc1Cl COC(=O)[*:1] CC(C)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cc(Cl)ccc1Cl CC(C)C[*:1] COC(=O)[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
O=C(NC1CCCCC1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 O=C(NC1CCCCC1)[*:1] Clc1ccc(cc1)-n1nnc(c1-c1cccnc1)[*:1]
O=C(NC1CCCCC1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 C1CCC(CC1)[*:1] O=C(N[*:1])c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1
O=C(NC1CCCCC1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 c1cncc(c1)[*:1] O=C(NC1CCCCC1)c1nnn(-c2ccc(Cl)cc2)c1[*:1]
O=C(NC1CCCCC1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 Clc1ccc(cc1)[*:1] O=C(NC1CCCCC1)c1nnn(c1-c1cccnc1)[*:1]
C[C@H]1CCN(C(=O)NCc2noc(C(C)(C)C)n2)C[C@@H]1O CC(C)(C)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)NCc1noc(n1)[*:1]
Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2CCCc2ccccc2)n1 CC(C)C[*:1] Cc1cc(C)n(n1)-c1nc2c(c(=O)n(c(=O)n2C)[*:1])n1CCCc1ccccc1
Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2CCCc2ccccc2)n1 c1ccc(cc1)CCC[*:1] Cc1cc(C)n(n1)-c1nc2c(c(=O)n(CC(C)C)c(=O)n2C)n1[*:1]
Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2CCCc2ccccc2)n1 Cc1cc(C)n(n1)[*:1] CC(C)Cn1c(=O)c2c(nc(n2CCCc2ccccc2)[*:1])n(C)c1=O
Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2CCCc2ccccc2)n1 CC(C)[*:1] Cc1cc(C)n(n1)-c1nc2c(c(=O)n(C[*:1])c(=O)n2C)n1CCCc1ccccc1
Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2CCCc2ccccc2)n1 c1ccc(cc1)[*:1] Cc1cc(C)n(n1)-c1nc2c(c(=O)n(CC(C)C)c(=O)n2C)n1CCC[*:1]
Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2CCCc2ccccc2)n1 c1ccc(cc1)CC[*:1] Cc1cc(C)n(n1)-c1nc2c(c(=O)n(CC(C)C)c(=O)n2C)n1C[*:1]
Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2CCCc2ccccc2)n1 c1ccc(cc1)C[*:1] Cc1cc(C)n(n1)-c1nc2c(c(=O)n(CC(C)C)c(=O)n2C)n1CC[*:1]
COC(=O)[C@@H]1CCCN(Cc2cn3cc(C)ccc3[nH+]2)C1 COC(=O)[*:1] Cc1ccc2[nH+]c(cn2c1)CN1CCC[C@H](C1)[*:1]
CN1C(=O)C[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N1C c1ccc(cc1)[*:1] CN1C(=O)C[C@H](C(=O)N1C)C(c1ccccc1)[*:1]
C[C@H](C1CC1)N(C(=O)CNC1=NS(=O)(=O)c2ccccc21)C1CC1 C1CC1[*:1] C[C@H](N(C(=O)CNC1=NS(=O)(=O)c2ccccc21)C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)CNC1=NS(=O)(=O)c2ccccc21)C1CC1 C[C@H](C1CC1)[*:1] O=C(CNC1=NS(=O)(=O)c2ccccc21)N(C1CC1)[*:1]
C[C@H](C1CC1)N(C(=O)CNC1=NS(=O)(=O)c2ccccc21)C1CC1 C1CC1[*:1] C[C@H](C1CC1)N(C(=O)CNC1=NS(=O)(=O)c2ccccc21)[*:1]
CCc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4ccc(F)cc4)=NC(=O)[C@H]32)cc1 CCc1ccc(cc1)[*:1] O=C1C[C@H](C(=O)N[*:1])[C@@H]2C(=O)N=C(N=C2N1)SCc1ccc(F)cc1
CCc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4ccc(F)cc4)=NC(=O)[C@H]32)cc1 Fc1ccc(cc1)C[*:1] CCc1ccc(cc1)NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)S[*:1]
CCc1ccc(NC(=O)[C@H]2CC(=O)NC3=NC(SCc4ccc(F)cc4)=NC(=O)[C@H]32)cc1 Fc1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)[C@H]1CC(=O)NC2=NC(=NC(=O)[C@H]21)SC[*:1]
CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C1CCC1 C1CC(C1)[*:1] CN(CCCc1cc(n[nH]1)-c1ccc(F)cc1)C(=O)[*:1]
CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C1CCC1 Fc1ccc(cc1)[*:1] CN(CCCc1cc(n[nH]1)[*:1])C(=O)C1CCC1
CC[C@H](c1cc(C)ccn1)n1cnc(-c2ccccc2)c1-c1cccnc1 Cc1ccnc(c1)[*:1] CC[C@H](n1cnc(-c2ccccc2)c1-c1cccnc1)[*:1]
CC[C@H](c1cc(C)ccn1)n1cnc(-c2ccccc2)c1-c1cccnc1 c1ccc(cc1)[*:1] CC[C@H](c1cc(C)ccn1)n1cnc(c1-c1cccnc1)[*:1]
CC[C@H](c1cc(C)ccn1)n1cnc(-c2ccccc2)c1-c1cccnc1 c1cncc(c1)[*:1] CC[C@H](c1cc(C)ccn1)n1cnc(-c2ccccc2)c1[*:1]
O=C([O-])CCCC(=O)Nc1nc(-c2ccccc2)cs1 O=C([O-])CCC[*:1] O=C(Nc1nc(cs1)-c1ccccc1)[*:1]
O=C([O-])CCCC(=O)Nc1nc(-c2ccccc2)cs1 c1ccc(cc1)[*:1] O=C([O-])CCCC(=O)Nc1nc(cs1)[*:1]
O=C([O-])CCCC(=O)Nc1nc(-c2ccccc2)cs1 O=C([O-])[*:1] O=C(CCC[*:1])Nc1nc(cs1)-c1ccccc1
O=C([O-])CCCC(=O)Nc1nc(-c2ccccc2)cs1 O=C([O-])CC[*:1] O=C(C[*:1])Nc1nc(cs1)-c1ccccc1
O=C([O-])CCCC(=O)Nc1nc(-c2ccccc2)cs1 O=C([O-])C[*:1] O=C(CC[*:1])Nc1nc(cs1)-c1ccccc1
Cc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)c1 Cc1cccc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(Cl)cc1Cl
CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1ncnc2c1cnn2[*:1]
CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 CC(C)[*:1] C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)NC(=O)NC[*:1]
CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 CC(C)C[*:1] C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)NC(=O)N[*:1]
CCC[C@@H]1Nc2sc3c(c2C(=O)N1C1CC1)CC[C@@H](CC)C3 C1CC1[*:1] CCC[C@@H]1Nc2sc3C[C@H](CC)CCc3c2C(=O)N1[*:1]
CCC[C@@H]1Nc2sc3c(c2C(=O)N1C1CC1)CC[C@@H](CC)C3 CCC[*:1] CC[C@@H]1CCc2c(C1)sc1N[C@H](N(C(=O)c12)C1CC1)[*:1]
CCS(=O)(=O)CC[C@@H](CCl)c1cccc(C)c1 CCS(=O)(=O)[*:1] Cc1cccc(c1)[C@H](CCl)CC[*:1]
C[C@H]1CCCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 O=C(N[*:1])c1cccs1 C[C@H]1CCCC[C@H]1NC(=O)Cc1csc(n1)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 c1csc(c1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)Cc1csc(n1)NC(=O)[*:1]
CCCCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 CCCC[*:1] O=C([C@H]1C[C@H]1c1ccc2OCOc2c1)N1CCN(CC1)C(=O)[*:1]
CCCCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 CCC[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)[C@H]1C[C@H]1c1ccc2OCOc2c1
Cc1[nH]ncc1C(=O)N1CCCC[C@H]1C[C@H](C)O C[C@H](O)[*:1] Cc1[nH]ncc1C(=O)N1CCCC[C@H]1C[*:1]
Cc1[nH]ncc1C(=O)N1CCCC[C@H]1C[C@H](C)O Cc1[nH]ncc1[*:1] C[C@H](O)C[C@@H]1CCCCN1C(=O)[*:1]
Cc1[nH]ncc1C(=O)N1CCCC[C@H]1C[C@H](C)O C[C@H](O)C[*:1] Cc1[nH]ncc1C(=O)N1CCCC[C@@H]1[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc(NC(C)=O)cc1 CCO[*:1] CC(=O)Nc1ccc(cc1)OS(=O)(=O)c1cc(Br)ccc1[*:1]
CCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc(NC(C)=O)cc1 CC(=O)N[*:1] CCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc(cc1)[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N[C@H](C)CC)CC3)c2)no1 CC[C@@H](C)[*:1] CCc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N[C@H](C)CC)CC3)c2)no1 CCc1nc(no1)[*:1] CC[C@@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)c1cc(cs1)[*:1]
CCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N[C@H](C)CC)CC3)c2)no1 CC[C@@H](C)NC(=O)[*:1] CCc1nc(no1)-c1csc(c1)S(=O)(=O)N1CCC(CC1)[*:1]
CC(C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CC(C)[*:1] O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)[*:1]
CC(C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CC(C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1[*:1]
CC(C)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F CC(C)C(=O)N[*:1] FC(F)(F)c1ccccc1[C@H]1CCC[C@H]1[*:1]
COc1c(F)cc(NC(=O)[C@H](C)SC)cc1F CS[C@@H](C)[*:1] COc1c(F)cc(cc1F)NC(=O)[*:1]
Cc1ccc(Oc2ccc(NCc3noc(C)n3)cc2)nn1 Cc1nc(C[*:1])no1 Cc1ccc(nn1)Oc1ccc(cc1)N[*:1]
Cc1ccc(Oc2ccc(NCc3noc(C)n3)cc2)nn1 Cc1ccc(nn1)[*:1] Cc1nc(CNc2ccc(cc2)O[*:1])no1
Cc1ccc(Oc2ccc(NCc3noc(C)n3)cc2)nn1 Cc1nc(no1)[*:1] Cc1ccc(nn1)Oc1ccc(cc1)NC[*:1]
COc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)C(=O)Nc1nn(cc1Cl)C[*:1]
COc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1 COc1ccc(cc1)[*:1] O=C(Nc1nn(cc1Cl)Cc1ccc(F)cc1)[*:1]
COc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)C(=O)Nc1nn(cc1Cl)[*:1]
CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)/C(=N\c2cccc(OC)c2)S1 COc1cccc(c1)[*:1] CC[C@H]1CN(C(=O)c2cccc(c2)S(=O)(=O)N(C)C)C(=N[*:1])S1
CC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)/C(=N\c2cccc(OC)c2)S1 CN(C)S(=O)(=O)[*:1] CC[C@H]1CN(C(=O)c2cccc(c2)[*:1])/C(=N\c2cccc(c2)OC)S1
Cc1ccc(Cl)cc1NC(=O)c1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] Cc1ccc(Cl)cc1NC(=O)c1ccc(cc1)[*:1]
CC(=O)NCc1ccc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)s1 Cc1cnn(c1)[*:1] CC(=O)NCc1ccc(s1)C(=O)N1CCC[C@H](C1)[*:1]
CC(=O)NCc1ccc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)s1 CC(=O)NC[*:1] Cc1cnn(c1)[C@H]1CCCN(C1)C(=O)c1ccc(s1)[*:1]
CC(=O)NCc1ccc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)s1 CC(=O)N[*:1] Cc1cnn(c1)[C@H]1CCCN(C1)C(=O)c1ccc(C[*:1])s1
COC(=O)CCC[NH+]1CCC(CS(N)(=O)=O)CC1 COC(=O)CC[*:1] NS(=O)(=O)CC1CC[NH+](CC1)C[*:1]
COC(=O)CCC[NH+]1CCC(CS(N)(=O)=O)CC1 NS(=O)(=O)C[*:1] COC(=O)CCC[NH+]1CCC(CC1)[*:1]
COC(=O)CCC[NH+]1CCC(CS(N)(=O)=O)CC1 NS(=O)(=O)[*:1] COC(=O)CCC[NH+]1CCC(CC1)C[*:1]
COC(=O)CCC[NH+]1CCC(CS(N)(=O)=O)CC1 COC(=O)C[*:1] NS(=O)(=O)CC1CC[NH+](CC1)CC[*:1]
COC(=O)CCC[NH+]1CCC(CS(N)(=O)=O)CC1 COC(=O)[*:1] NS(=O)(=O)CC1CC[NH+](CCC[*:1])CC1
COCCN(C(C)=O)[C@@H]1N[C@H](C)[C@@H](C(=O)Nc2nnc([C@@H]3CCCO3)s2)S1 COC[*:1] CC(=O)N(C[*:1])[C@@H]1N[C@H](C)[C@H](S1)C(=O)Nc1nnc(s1)[C@@H]1CCCO1
COCCN(C(C)=O)[C@@H]1N[C@H](C)[C@@H](C(=O)Nc2nnc([C@@H]3CCCO3)s2)S1 COCC[*:1] CC(=O)N([C@@H]1N[C@H](C)[C@H](S1)C(=O)Nc1nnc(s1)[C@@H]1CCCO1)[*:1]
COCCN(C(C)=O)[C@@H]1N[C@H](C)[C@@H](C(=O)Nc2nnc([C@@H]3CCCO3)s2)S1 COCCN(C(C)=O)[*:1] C[C@H]1N[C@H](S[C@@H]1C(=O)Nc1nnc(s1)[C@@H]1CCCO1)[*:1]
COCCN(C(C)=O)[C@@H]1N[C@H](C)[C@@H](C(=O)Nc2nnc([C@@H]3CCCO3)s2)S1 C1CO[C@@H](C1)[*:1] COCCN(C(C)=O)[C@@H]1N[C@H](C)[C@H](S1)C(=O)Nc1nnc(s1)[*:1]
Cc1ccoc1C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 Cc1ccoc1C[*:1] FC(F)(F)c1cccc(c1)[C@H]([NH2+][*:1])C1CC1
Cc1ccoc1C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 C1CC1[*:1] Cc1ccoc1C[NH2+][C@@H](c1cccc(c1)C(F)(F)F)[*:1]
Cc1ccoc1C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 Cc1ccoc1[*:1] FC(F)(F)c1cccc(c1)[C@H]([NH2+]C[*:1])C1CC1
Cc1ccoc1C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 FC(F)(F)[*:1] Cc1ccoc1C[NH2+][C@@H](c1cccc(c1)[*:1])C1CC1
Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] c1coc(c1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)NC[C@H]([NH+]1CCCC1)[*:1]
Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1
COC1CC[NH+](CCNC(=O)c2ccc(OC(F)F)cc2)CC1 FC(F)O[*:1] COC1CC[NH+](CCNC(=O)c2ccc(cc2)[*:1])CC1
COC1CC[NH+](CCNC(=O)c2ccc(OC(F)F)cc2)CC1 FC(F)[*:1] COC1CC[NH+](CCNC(=O)c2ccc(cc2)O[*:1])CC1
Cc1ccc(-c2nnc(CNc3c(F)cc(Cl)cc3F)o2)cc1 Cc1ccc(cc1)[*:1] Fc1cc(Cl)cc(F)c1NCc1nnc(o1)[*:1]
O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 O=C1CSC(=O)N1[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])[C@@H]1CC(=O)N(C1)c1ccc(F)cc1
O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 Fc1ccc(cc1)[*:1] O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)CC1(CC(C)C)CC(=O)NC1=O CC(C)[*:1] CC(C)CC1(CC(=O)NC1=O)C[*:1]
CC(C)CC1(CC(C)C)CC(=O)NC1=O CC(C)C[*:1] CC(C)CC1(CC(=O)NC1=O)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 CC(C)[*:1] CN(S(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc2OCCOc2c1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 CC(C)N(C)S(=O)(=O)[*:1] O=S(=O)(Nc1ccc(cc1)[*:1])c1ccc2OCCOc2c1
Fc1cnccc1-c1nc([C@@H]2CCOC2)no1 C1C[C@H](CO1)[*:1] Fc1cnccc1-c1nc(no1)[*:1]
Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCOCC1 CC(C)CCNC(=O)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)[*:1]
Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCOCC1 CC(C)[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NCC[*:1]
Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCOCC1 CC(C)CC[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[*:1]
Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCOCC1 CC(C)C[*:1] Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NC[*:1]
Cc1ccc(NC(=O)c2cnn3c(=O)cc([C@H]4CC(=O)N(C)C4)[nH]c23)cc1 Cc1ccc(cc1)[*:1] CN1C[C@H](CC1=O)c1cc(=O)n2ncc(C(=O)N[*:1])c2[nH]1
C[C@H](C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)[*:1]
C[C@H](C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)n1cncn1 Fc1ccccc1[*:1] C[C@H](C(=O)N1CCN(CCNC(=O)[*:1])CC1)n1cncn1
O=C(NCC[C@H](O)c1cccc2ccccc12)Nc1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(NCC[C@H](O)c1cccc2ccccc12)N[*:1]
C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccccc1[*:1]
CSC[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1 CSC[C@H](C)[*:1] Cc1ccc2nc(NC(=O)[*:1])sc2c1
CSC[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1 CSC[*:1] Cc1ccc2nc(NC(=O)[C@@H](C)[*:1])sc2c1
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(OC(F)F)cc1 FC(F)[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(cc1)O[*:1]
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(OC(F)F)cc1 FC(F)O[*:1] O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(cc1)[*:1]
COc1ccc(C2=C[C@@H](C(=O)N/N=C/c3cccc(O)c3)N=N2)cc1OC Oc1cccc(c1)[*:1] COc1ccc(cc1OC)C1=C[C@H](N=N1)C(=O)NN=C[*:1]
C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O Fc1ccccc1[*:1] C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1C(=O)N[C@](C)(C1=O)[*:1]
O=C(NC1CC1)N[C@H]1C[C@@H]1C1CCCCC1 C1CC1[*:1] O=C(N[C@H]1C[C@@H]1C1CCCCC1)N[*:1]
S=C(Nc1ccc(Cl)cc1)N1CCCn2c1nc1ccccc12 Clc1ccc(cc1)[*:1] S=C(N[*:1])N1CCCn2c1nc1ccccc12
COc1ccccc1-n1cnnc1S[C@@H](C(=O)NC(C)(C)C)C(C)C CC(C)(C)[*:1] COc1ccccc1-n1cnnc1S[C@@H](C(=O)N[*:1])C(C)C
COc1ccccc1-n1cnnc1S[C@@H](C(=O)NC(C)(C)C)C(C)C COc1ccccc1[*:1] CC(C)[C@@H](Sc1nncn1[*:1])C(=O)NC(C)(C)C
COc1ccccc1-n1cnnc1S[C@@H](C(=O)NC(C)(C)C)C(C)C CC(C)(C)NC(=O)[*:1] COc1ccccc1-n1cnnc1S[C@@H](C(C)C)[*:1]
COc1ccccc1-n1cnnc1S[C@@H](C(=O)NC(C)(C)C)C(C)C CC(C)[*:1] COc1ccccc1-n1cnnc1S[C@@H](C(=O)NC(C)(C)C)[*:1]
Cn1cc(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)cn1 Cn1cc(cn1)[*:1] O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[*:1]
C[C@H](C(=O)N1CCCC1)n1nc(-n2cccn2)ccc1=O O=C(N1CCCC1)[*:1] C[C@H](n1nc(ccc1=O)-n1cccn1)[*:1]
C[C@H](C(=O)N1CCCC1)n1nc(-n2cccn2)ccc1=O c1cnn(c1)[*:1] C[C@H](C(=O)N1CCCC1)n1nc(ccc1=O)[*:1]
CCc1c(C)[nH]c(-n2nc(C)cc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc1=O O=[N+]([O-])c1ccc(cc1)[*:1] CCc1c(C)[nH]c(nc1=O)-n1nc(C)cc1NC(=O)C=C[*:1]
CCc1c(C)[nH]c(-n2nc(C)cc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc1=O CCc1c(C)[nH]c(nc1=O)[*:1] Cc1cc(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])n(n1)[*:1]
CCc1c(C)[nH]c(-n2nc(C)cc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc1=O O=[N+]([O-])[*:1] CCc1c(C)[nH]c(nc1=O)-n1nc(C)cc1NC(=O)/C=C/c1ccc(cc1)[*:1]
CN(CC1CC[NH2+]CC1)S(=O)(=O)C(F)(F)F FC(F)(F)[*:1] CN(CC1CC[NH2+]CC1)S(=O)(=O)[*:1]
CNC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1C CNC(=O)[*:1] Cc1c(cccc1[*:1])NCC(=O)Nc1cc(Cl)ccc1-n1cncn1
CNC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1C c1ncn(n1)[*:1] CNC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2[*:1])c1C
COC(=O)c1sccc1NC(=O)c1ccc(O)cc1 COC(=O)[*:1] O=C(Nc1ccsc1[*:1])c1ccc(O)cc1
Cc1nn(-c2ccc(C(=O)N3CCOC[C@H]3C3CC3)cc2)c(C)c1Cl Cc1nn(c(C)c1Cl)[*:1] O=C(c1ccc(cc1)[*:1])N1CCOC[C@H]1C1CC1
Cc1nn(-c2ccc(C(=O)N3CCOC[C@H]3C3CC3)cc2)c(C)c1Cl C1CC1[*:1] Cc1nn(-c2ccc(cc2)C(=O)N2CCOC[C@@H]2[*:1])c(C)c1Cl
Cc1cc2c(N3C[C@H](C(N)=O)CC[C@@H]3C)ncnc2s1 NC(=O)[*:1] Cc1cc2c(ncnc2s1)N1C[C@H](CC[C@@H]1C)[*:1]
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2)N(Cc2cccnc2)C3=O)cc1 c1cncc(c1)[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N(C[*:1])[C@@H](c3ccc(cc3)OC)c12
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2)N(Cc2cccnc2)C3=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)[C@H]1c2c(n[nH]c2C(=O)N1Cc1cccnc1)[*:1]
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2)N(Cc2cccnc2)C3=O)cc1 COc1ccc(cc1)[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N(Cc3cccnc3)[C@@H](c12)[*:1]
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2)N(Cc2cccnc2)C3=O)cc1 c1cncc(c1)C[*:1] COc1ccc(cc1)-c1n[nH]c2C(=O)N([C@@H](c3ccc(cc3)OC)c12)[*:1]
C[C@H]1CCN(C(=O)C[C@@H](C)C2CCCCC2)C[C@@H]1O C1CCC(CC1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)C[C@@H](C)[*:1]
COC(=O)c1ccc(NC(=O)NCC(C)(C)c2ccncc2)cc1C c1cc(ccn1)[*:1] COC(=O)c1ccc(cc1C)NC(=O)NCC(C)(C)[*:1]
COC(=O)c1ccc(NC(=O)NCC(C)(C)c2ccncc2)cc1C COC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)NCC(C)(C)c1ccncc1
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Cc1csc(N)n1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)Cc1csc(N)n1)[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Cc1csc(N)n1 Nc1nc(cs1)[*:1] C[C@H]1[C@@H](CCN1C(=O)C[*:1])C(=O)[O-]
C[C@H]1C[C@H](C)CC2(C[NH+]=C(N)N2CC2CC2)C1 C1CC1C[*:1] C[C@H]1C[C@H](C)CC2(C[NH+]=C(N)N2[*:1])C1
C[C@H]1C[C@H](C)CC2(C[NH+]=C(N)N2CC2CC2)C1 C1CC1[*:1] C[C@H]1C[C@H](C)CC2(C[NH+]=C(N)N2C[*:1])C1
CC(C)(C)OC(=O)NNC(=O)c1ccc(Br)o1 CC(C)(C)[*:1] O=C(NNC(=O)c1ccc(Br)o1)O[*:1]
N#Cc1c(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)sc2c1CCC2 c1coc(c1)[*:1] N#Cc1c(NC(=O)c2cnn3c2N[C@@H](C[C@H]3C(F)(F)F)[*:1])sc2CCCc21
N#Cc1c(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)sc2c1CCC2 N#Cc1c(sc2CCCc21)[*:1] O=C(N[*:1])c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)c1ccco1
N#Cc1c(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)sc2c1CCC2 FC(F)(F)[*:1] N#Cc1c(NC(=O)c2cnn3c2N[C@H](C[C@@H]3[*:1])c2ccco2)sc2CCCc21
CCc1noc(-c2ccc(C)c(NC(=O)NCc3ncnn3C)c2)n1 Cn1ncnc1[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)NC[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)NCc3ncnn3C)c2)n1 Cn1ncnc1C[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)N[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)NCc3ncnn3C)c2)n1 CCc1noc(n1)[*:1] Cc1ccc(cc1NC(=O)NCc1ncnn1C)[*:1]
Cc1cn2c([nH+]1)CC[C@H](NC(=O)CCc1c(C)noc1Cl)C2 Cc1noc(Cl)c1[*:1] Cc1cn2C[C@H](CCc2[nH+]1)NC(=O)CC[*:1]
COc1cc(Cl)ccc1CNC(=O)CSc1nc(C)n[nH]1 Cc1n[nH]c(n1)S[*:1] COc1cc(Cl)ccc1CNC(=O)C[*:1]
COc1cc(Cl)ccc1CNC(=O)CSc1nc(C)n[nH]1 Cc1n[nH]c(n1)[*:1] COc1cc(Cl)ccc1CNC(=O)CS[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)[C@]2(C)CC2(Cl)Cl)o1 CCc1ccc(o1)[*:1] C[C@]1(CC1(Cl)Cl)C(=O)N1CCOC[C@H]1[*:1]
CCc1ccc([C@@H]2COCCN2C(=O)[C@]2(C)CC2(Cl)Cl)o1 C[C@@]1(CC1(Cl)Cl)[*:1] CCc1ccc(o1)[C@@H]1COCCN1C(=O)[*:1]
Cc1cccc(NC(=O)CSc2nnc(CCC(=O)[O-])c([O-])n2)c1 Cc1cccc(c1)[*:1] O=C([O-])CCc1nnc(nc1[O-])SCC(=O)N[*:1]
Cc1cccc(NC(=O)CSc2nnc(CCC(=O)[O-])c([O-])n2)c1 O=C([O-])CC[*:1] Cc1cccc(c1)NC(=O)CSc1nnc(c([O-])n1)[*:1]
Cc1cccc(NC(=O)CSc2nnc(CCC(=O)[O-])c([O-])n2)c1 O=C([O-])C[*:1] Cc1cccc(c1)NC(=O)CSc1nnc(C[*:1])c([O-])n1
Cc1cccc(NC(=O)CSc2nnc(CCC(=O)[O-])c([O-])n2)c1 O=C([O-])[*:1] Cc1cccc(c1)NC(=O)CSc1nnc(CC[*:1])c([O-])n1
C[C@H]([NH3+])C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 O=[N+]([O-])[*:1] C[C@H]([NH3+])C1CCN(CC1)c1nc2cc(ccc2[nH]1)[*:1]
Cc1c(Br)c(C(=O)[O-])nn1CC(F)(F)F FC(F)(F)C[*:1] Cc1c(Br)c(nn1[*:1])C(=O)[O-]
Cc1c(Br)c(C(=O)[O-])nn1CC(F)(F)F FC(F)(F)[*:1] Cc1c(Br)c(nn1C[*:1])C(=O)[O-]
Cc1c(Br)c(C(=O)[O-])nn1CC(F)(F)F O=C([O-])[*:1] Cc1c(Br)c(nn1CC(F)(F)F)[*:1]
C[C@@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 Fc1cccc(Cl)c1C[*:1] C[C@@H]1C(=O)N(c2ccccc2N1C(=O)c1ccc(F)cc1)[*:1]
C[C@@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 Fc1cccc(Cl)c1[*:1] C[C@@H]1C(=O)N(C[*:1])c2ccccc2N1C(=O)c1ccc(F)cc1
C[C@@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)[*:1]
C#CCNC(=O)CN1CCN(c2cc(Cl)ncn2)CC1 C#CCNC(=O)[*:1] Clc1cc(ncn1)N1CCN(CC1)C[*:1]
C#CCNC(=O)CN1CCN(c2cc(Cl)ncn2)CC1 C#CC[*:1] O=C(CN1CCN(CC1)c1cc(Cl)ncn1)N[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])c1ccc(o1)S(=O)(=O)NC1CC1
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)nc1 O=S(=O)(NC1CC1)[*:1] Cc1ccc(nc1)NC(=O)c1ccc(o1)[*:1]
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)o2)nc1 C1CC1[*:1] Cc1ccc(nc1)NC(=O)c1ccc(o1)S(=O)(=O)N[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(C[*:1])s1 C=C1c2ccccc2C(=O)N1CCC(=O)N(C)[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)N(C)Cc1ccc(Cl)s1 Clc1ccc(s1)[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N(C)C[*:1]
CCC(CC)NC(=O)C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 CCC(CC)[*:1] O=C(C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 CCC[C@@H](C)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](C1)C(=O)N[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 Clc1ccc(cc1)O[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)O[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 CCC[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)C(C)(C)Oc1ccc(Cl)cc1)[*:1]
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 CCC[C@@H](C)NC(=O)[*:1] CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](C1)[*:1]
Cc1ccc([C@H]2CN(Cc3cnn4c3NCCC4)CCO2)o1 Cc1ccc(o1)[*:1] c1nn2CCCNc2c1CN1CCO[C@H](C1)[*:1]
Cc1ccc(CNS(=O)(=O)c2cc(-c3ccno3)sc2C)cc1 c1cc(on1)[*:1] Cc1ccc(cc1)CNS(=O)(=O)c1cc(sc1C)[*:1]
Cc1ccc(CNS(=O)(=O)c2cc(-c3ccno3)sc2C)cc1 Cc1ccc(cc1)[*:1] Cc1sc(cc1S(=O)(=O)NC[*:1])-c1ccno1
CC(C)n1nnnc1COc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1 CC(C)n1nnnc1C[*:1] CN(Cc1cccc(F)c1)C(=O)c1ccc(cc1)O[*:1]
CC(C)n1nnnc1COc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1 CC(C)n1nnnc1[*:1] CN(Cc1cccc(F)c1)C(=O)c1ccc(cc1)OC[*:1]
CC(C)n1nnnc1COc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1 Fc1cccc(c1)C[*:1] CC(C)n1nnnc1COc1ccc(cc1)C(=O)N(C)[*:1]
CC(C)n1nnnc1COc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1 CC(C)[*:1] CN(Cc1cccc(F)c1)C(=O)c1ccc(cc1)OCc1nnnn1[*:1]
CC(C)n1nnnc1COc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1 Fc1cccc(c1)[*:1] CC(C)n1nnnc1COc1ccc(cc1)C(=O)N(C)C[*:1]
CC(C)c1[nH+]ccn1CCC(=O)Nc1cc(C[S@](C)=O)ccc1Cl C[S@](=O)C[*:1] CC(C)c1[nH+]ccn1CCC(=O)Nc1cc(ccc1Cl)[*:1]
CC(C)c1[nH+]ccn1CCC(=O)Nc1cc(C[S@](C)=O)ccc1Cl CC(C)[*:1] C[S@](=O)Cc1ccc(Cl)c(c1)NC(=O)CCn1cc[nH+]c1[*:1]
CCOC(=O)N1CCN([C@H]2CCCN(C(=O)C(=O)CCc3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CCOC(=O)N1CCN(CC1)[C@H]1CCCN(C1)C(=O)C(=O)CC[*:1]
CCOC(=O)N1CCN([C@H]2CCCN(C(=O)C(=O)CCc3ccccc3)C2)CC1 c1ccc(cc1)CC[*:1] CCOC(=O)N1CCN(CC1)[C@H]1CCCN(C1)C(=O)C(=O)[*:1]
CCOC(=O)N1CCN([C@H]2CCCN(C(=O)C(=O)CCc3ccccc3)C2)CC1 c1ccc(cc1)C[*:1] CCOC(=O)N1CCN(CC1)[C@H]1CCCN(C1)C(=O)C(=O)C[*:1]
COc1ccc(F)cc1NC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 CC(C)(C)OC(=O)N[*:1] COc1ccc(F)cc1NC(=O)[C@@H]1CC[C@H](C1)[*:1]
COc1ccc(F)cc1NC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] COc1ccc(F)cc1NC(=O)[C@@H]1CC[C@@H](C1)NC(=O)O[*:1]
CCOC(=O)C[NH2+]CCC(C)(C)O CC(C)(O)[*:1] CCOC(=O)C[NH2+]CC[*:1]
O=C(NNC(=O)C1(c2ccccc2)CCOCC1)c1ccncc1 c1cc(ccn1)[*:1] O=C(NNC(=O)[*:1])C1(CCOCC1)c1ccccc1
O=C(NNC(=O)C1(c2ccccc2)CCOCC1)c1ccncc1 c1ccc(cc1)[*:1] O=C(NNC(=O)C1(CCOCC1)[*:1])c1ccncc1
Cc1nn(C)cc1[C@H](C)NC(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 Cc1nn(C)cc1[*:1] C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)N[C@@H](C)[*:1]
Cc1nn(C)cc1[C@H](C)NC(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Cc1nn(C)cc1[C@H](C)NC(=O)N(C)[C@H](C)[C@@H](C)[*:1]
COC(=O)CN(Cc1ccccc1Cl)C(=O)c1cccc2cc[nH]c12 Clc1ccccc1C[*:1] COC(=O)CN(C(=O)c1cccc2cc[nH]c12)[*:1]
COC(=O)CN(Cc1ccccc1Cl)C(=O)c1cccc2cc[nH]c12 Clc1ccccc1[*:1] COC(=O)CN(C[*:1])C(=O)c1cccc2cc[nH]c12
COC(=O)CN(Cc1ccccc1Cl)C(=O)c1cccc2cc[nH]c12 COC(=O)C[*:1] O=C(c1cccc2cc[nH]c12)N(Cc1ccccc1Cl)[*:1]
COC(=O)CN(Cc1ccccc1Cl)C(=O)c1cccc2cc[nH]c12 COC(=O)[*:1] O=C(c1cccc2cc[nH]c12)N(Cc1ccccc1Cl)C[*:1]
CN(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)N[*:1] CN(C)C(=O)c1ccc(c(c1)[N+](=O)[O-])[*:1]
CN(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] CN(C)C(=O)c1ccc(N[*:1])c(c1)[N+](=O)[O-]
CN(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CN(C)C(=O)c1ccc(Nc2ccccc2)c(c1)[*:1]
CN(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 CN(C)C(=O)[*:1] O=[N+]([O-])c1cc(ccc1Nc1ccccc1)[*:1]
CCO[C@@H](CCNC(=O)c1ccc2cc[nH]c2c1)C(C)C CCO[*:1] CC(C)[C@H](CCNC(=O)c1ccc2cc[nH]c2c1)[*:1]
CCO[C@@H](CCNC(=O)c1ccc2cc[nH]c2c1)C(C)C CC(C)[*:1] CCO[C@@H](CCNC(=O)c1ccc2cc[nH]c2c1)[*:1]
CC(C)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 CC(C)[*:1] O=C(COc1ccc(cc1)[*:1])NCc1ccc(Cl)cc1
CC(C)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)OCC(=O)NC[*:1]
C/C(=N\NC(=O)[C@@H](C)Sc1ccccn1)c1ccc(C(C)(C)C)cc1 c1ccc(nc1)[*:1] C/C(=N\NC(=O)[C@@H](C)S[*:1])c1ccc(cc1)C(C)(C)C
C/C(=N\NC(=O)[C@@H](C)Sc1ccccn1)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C/C(=N\NC(=O)[C@@H](C)Sc1ccccn1)c1ccc(cc1)[*:1]
C/C(=N\NC(=O)[C@@H](C)Sc1ccccn1)c1ccc(C(C)(C)C)cc1 c1ccc(nc1)S[*:1] C/C(=N\NC(=O)[C@@H](C)[*:1])c1ccc(cc1)C(C)(C)C
CC(C)C(=O)N1CCC[C@H](C(=O)N[C@@]2(C)CCc3ccccc3C2)C1 CC(C)[*:1] C[C@@]1(CCc2ccccc2C1)NC(=O)[C@H]1CCCN(C1)C(=O)[*:1]
CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(O)cc2)c1C CC(=O)[*:1] CC(=O)c1c(c(C)n(-c2ccc(O)cc2)c1C)[*:1]
C=CCn1c(SCC(=O)N(CC)c2cccc3ccccc23)nc2sccc2c1=O C=CC[*:1] CCN(C(=O)CSc1nc2sccc2c(=O)n1[*:1])c1cccc2ccccc12
C=CCn1c(SCC(=O)N(CC)c2cccc3ccccc23)nc2sccc2c1=O c1ccc2c(cccc2c1)[*:1] C=CCn1c(nc2sccc2c1=O)SCC(=O)N(CC)[*:1]
C[C@@H](NC(=O)NCc1ccccn1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@@H](NC(=O)NCc1ccccn1)c1ccc(cc1)NC(=O)[*:1]
C[C@@H](NC(=O)NCc1ccccn1)c1ccc(NC(=O)C2CC2)cc1 c1ccc(C[*:1])nc1 C[C@@H](NC(=O)N[*:1])c1ccc(cc1)NC(=O)C1CC1
C[C@@H](NC(=O)NCc1ccccn1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@@H](NC(=O)NCc1ccccn1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)NCc1ccccn1)c1ccc(NC(=O)C2CC2)cc1 c1ccc(nc1)[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(cc1)NC(=O)C1CC1
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 c1cc2OCOc2cc1[*:1] CCn1cc(C(=O)NC[*:1])c(=O)c2cc(ccc21)S(=O)(=O)N1CCOCC1
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 c1cc2OCOc2cc1C[*:1] CCn1cc(C(=O)N[*:1])c(=O)c2cc(ccc21)S(=O)(=O)N1CCOCC1
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 O=S(=O)(N1CCOCC1)[*:1] CCn1cc(C(=O)NCc2ccc3OCOc3c2)c(=O)c2cc(ccc21)[*:1]
CCC(=O)N(C)CCc1cc2c(c(OC)c1C=O)OCO2 CCC(=O)N(C)C[*:1] COc1c(C=O)c(cc2OCOc21)C[*:1]
CCC(=O)N(C)CCc1cc2c(c(OC)c1C=O)OCO2 CCC(=O)N(C)[*:1] COc1c(C=O)c(cc2OCOc21)CC[*:1]
CCC[NH2+][C@H]1CCC[C@@H]1CCSc1ccncc1 c1cc(ccn1)[*:1] CCC[NH2+][C@H]1CCC[C@@H]1CCS[*:1]
CCC[NH2+][C@H]1CCC[C@@H]1CCSc1ccncc1 CCC[*:1] c1cc(ccn1)SCC[C@H]1CCC[C@@H]1[NH2+][*:1]
CCCc1nnsc1C(=O)NCC1CCN(c2cnccn2)CC1 c1cnc(cn1)[*:1] CCCc1nnsc1C(=O)NCC1CCN(CC1)[*:1]
CCCc1nnsc1C(=O)NCC1CCN(c2cnccn2)CC1 CCC[*:1] O=C(NCC1CCN(CC1)c1cnccn1)c1snnc1[*:1]
CCCc1nnsc1C(=O)NCC1CCN(c2cnccn2)CC1 CCCc1nnsc1[*:1] O=C(NCC1CCN(CC1)c1cnccn1)[*:1]
C[NH+](CCN1CCCc2ccccc21)C1CCOCC1 C1CC(CCO1)[*:1] C[NH+](CCN1CCCc2ccccc21)[*:1]
CCc1ncc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)s1 CCc1ncc(s1)[*:1] CC(C)(C)OC(=O)N[C@H]1CCN(C1)C[*:1]
CCc1ncc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)s1 CC(C)(C)[*:1] CCc1ncc(CN2CC[C@@H](C2)NC(=O)O[*:1])s1
CONC(=O)c1oc2c(C)ccc(C)c2c1C CONC(=O)[*:1] Cc1ccc(C)c2c(C)c(oc12)[*:1]
COc1ccc([C@@H](CNC(=O)c2nccnc2-c2nc3ccccc3s2)[NH+]2CCCC2)cc1 c1ccc2sc(nc2c1)[*:1] COc1ccc(cc1)[C@@H](CNC(=O)c1nccnc1[*:1])[NH+]1CCCC1
COc1ccc([C@@H](CNC(=O)c2nccnc2-c2nc3ccccc3s2)[NH+]2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1nccnc1-c1nc2ccccc2s1
CCN(Cc1cnn(C)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1 Cn1cc(cn1)[*:1] CCN(C[*:1])S(=O)(=O)c1cccc(c1)C(F)(F)F
CCN(Cc1cnn(C)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCN(Cc1cnn(C)c1)S(=O)(=O)c1cccc(c1)[*:1]
CCN(Cc1cnn(C)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1 Cn1cc(cn1)C[*:1] CCN(S(=O)(=O)c1cccc(c1)C(F)(F)F)[*:1]
CCCN1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(OCC)cc2=O)CC1 Cc1ccc(cc1)[*:1] CCCN1CCN(CC1)C(=O)c1nn(c(cc1=O)OCC)[*:1]
CCCN1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(OCC)cc2=O)CC1 CCO[*:1] CCCN1CCN(CC1)C(=O)c1nn(-c2ccc(C)cc2)c(cc1=O)[*:1]
CCCN1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(OCC)cc2=O)CC1 CCC[*:1] CCOc1cc(=O)c(nn1-c1ccc(C)cc1)C(=O)N1CCN(CC1)[*:1]
CCc1nn(C)cc1NC(=O)NC[C@@H](OC)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CCc1nn(C)cc1NC(=O)NC[C@@H](OC)[*:1]
CN(C)C(=O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 CN(C)C(=O)[*:1] O=C(Cc1c[nH]c2ccccc12)N1CCN(CC1)C[*:1]
CN(C)C(=O)CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 CN(C)C(=O)C[*:1] O=C(Cc1c[nH]c2ccccc12)N1CCN(CC1)[*:1]
O=C(CCc1ccco1)NCc1cnn(-c2ccccc2)c1 c1coc(c1)CC[*:1] O=C(NCc1cnn(c1)-c1ccccc1)[*:1]
O=C(CCc1ccco1)NCc1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(CCc1ccco1)NCc1cnn(c1)[*:1]
O=C(CCc1ccco1)NCc1cnn(-c2ccccc2)c1 c1coc(c1)[*:1] O=C(CC[*:1])NCc1cnn(c1)-c1ccccc1
O=C(CCc1ccco1)NCc1cnn(-c2ccccc2)c1 c1coc(c1)C[*:1] O=C(C[*:1])NCc1cnn(c1)-c1ccccc1
O=C(CN1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1)NC1CC1 FC(F)(F)C[*:1] O=C(CN1CCN(CC1)[C@@H]1CCN(C1=O)[*:1])NC1CC1
O=C(CN1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1)NC1CC1 C1CC1[*:1] O=C(CN1CCN(CC1)[C@@H]1CCN(CC(F)(F)F)C1=O)N[*:1]
O=C(CN1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1)NC1CC1 FC(F)(F)[*:1] O=C(CN1CCN(CC1)[C@@H]1CCN(C[*:1])C1=O)NC1CC1
O=C(CN1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1)NC1CC1 O=C(NC1CC1)[*:1] O=C1[C@@H](CCN1CC(F)(F)F)N1CCN(CC1)C[*:1]
O=C(CN1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1)NC1CC1 O=C(C[*:1])NC1CC1 O=C1[C@@H](CCN1CC(F)(F)F)N1CCN(CC1)[*:1]
Cc1nc(-c2cccc(C(=O)N[C@H]3C[C@H]3c3c(F)cccc3F)c2)n[nH]1 Fc1cccc(F)c1[*:1] Cc1nc(n[nH]1)-c1cccc(c1)C(=O)N[C@H]1C[C@@H]1[*:1]
Cc1nc(-c2cccc(C(=O)N[C@H]3C[C@H]3c3c(F)cccc3F)c2)n[nH]1 Cc1nc(n[nH]1)[*:1] O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cccc(c1)[*:1]
CCOc1ccccc1/C=C\C(=O)c1ccc(S(=O)(=O)NC)cc1 CCO[*:1] CNS(=O)(=O)c1ccc(cc1)C(=O)/C=C\c1ccccc1[*:1]
CCOc1ccccc1/C=C\C(=O)c1ccc(S(=O)(=O)NC)cc1 CNS(=O)(=O)[*:1] CCOc1ccccc1/C=C\C(=O)c1ccc(cc1)[*:1]
Cc1cc(C(=O)N2CCC(c3nn(C)c4ncccc34)CC2)on1 Cc1cc(on1)[*:1] Cn1nc(c2cccnc21)C1CCN(CC1)C(=O)[*:1]
CCc1n[n-]c([S@@](=O)CC(=O)Nc2cccc(C(F)(F)F)c2)n1 FC(F)(F)[*:1] CCc1n[n-]c(n1)[S@@](=O)CC(=O)Nc1cccc(c1)[*:1]
C[C@@H](OC(=O)C=C1CCSCC1)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] C[C@@H](OC(=O)C=C1CCSCC1)c1ccc(cc1)[*:1]
Cn1ncc(Oc2ccccc2)c(Nc2ccc(C(=O)NCc3ccccc3)cc2)c1=O O=C(NCc1ccccc1)[*:1] Cn1ncc(Oc2ccccc2)c(Nc2ccc(cc2)[*:1])c1=O
Cn1ncc(Oc2ccccc2)c(Nc2ccc(C(=O)NCc3ccccc3)cc2)c1=O c1ccc(cc1)C[*:1] Cn1ncc(Oc2ccccc2)c(Nc2ccc(cc2)C(=O)N[*:1])c1=O
Cn1ncc(Oc2ccccc2)c(Nc2ccc(C(=O)NCc3ccccc3)cc2)c1=O c1ccc(cc1)O[*:1] Cn1ncc(c(Nc2ccc(cc2)C(=O)NCc2ccccc2)c1=O)[*:1]
Cn1ncc(Oc2ccccc2)c(Nc2ccc(C(=O)NCc3ccccc3)cc2)c1=O c1ccc(cc1)[*:1] Cn1ncc(Oc2ccccc2)c(Nc2ccc(cc2)C(=O)NC[*:1])c1=O
Cn1ncc(Oc2ccccc2)c(Nc2ccc(C(=O)NCc3ccccc3)cc2)c1=O c1ccc(cc1)[*:1] Cn1ncc(O[*:1])c(Nc2ccc(cc2)C(=O)NCc2ccccc2)c1=O
CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[C@H](C[NH+]2CCCCC2)C1 CC(C)[*:1] C[C@H](C(=O)Nc1ccccc1[*:1])N1CC[C@@H](C1)C[NH+]1CCCCC1
CC1=NN([C@H](C#N)c2ccoc2)[C@@H](c2ccccc2)C1 c1ccc(cc1)[*:1] CC1C[C@H](N(N=1)[C@H](C#N)c1ccoc1)[*:1]
CC1=NN([C@H](C#N)c2ccoc2)[C@@H](c2ccccc2)C1 c1cc(co1)[*:1] CC1C[C@H](c2ccccc2)N(N=1)[C@H](C#N)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)c3scnc3C3CC3)c2)n1 CCc1noc(n1)[*:1] Cc1ccc(cc1NC(=O)c1scnc1C1CC1)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)c3scnc3C3CC3)c2)n1 c1nc(c(s1)[*:1])C1CC1 CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)c3scnc3C3CC3)c2)n1 C1CC1[*:1] CCc1noc(n1)-c1ccc(C)c(c1)NC(=O)c1scnc1[*:1]
Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)cc1 Cc1ccc(cc1)[*:1] CC(C)(C)n1nccc1NC(=O)C(=O)NC[C@@H](O)[*:1]
Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)[C@H](O)CNC(=O)C(=O)Nc1ccnn1[*:1]
O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 c1cc2OCOc2cc1[*:1] O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CC(=O)N(C1)[*:1]
O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 FC(F)(F)[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])[C@@H]1CC(=O)N(C1)c1ccc2OCOc2c1
CCCSC[C@@H](C)/C(N)=N/O CCC[*:1] C[C@H](CS[*:1])/C(N)=N/O
CCCCNC(=O)Cc1cc(=O)oc2cc(C)c(C)cc12 CCCC[*:1] Cc1cc2oc(=O)cc(CC(=O)N[*:1])c2cc1C
CCCCNC(=O)Cc1cc(=O)oc2cc(C)c(C)cc12 CCC[*:1] Cc1cc2oc(=O)cc(CC(=O)NC[*:1])c2cc1C
CCCCNC(=O)Cc1cc(=O)oc2cc(C)c(C)cc12 CCCCNC(=O)[*:1] Cc1cc2oc(=O)cc(C[*:1])c2cc1C
NC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] O=C([O-])[*:1] NC(=O)N[C@@H](Cc1ccc(O)cc1)[*:1]
NC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] NC(=O)N[*:1] O=C([O-])[C@H](Cc1ccc(O)cc1)[*:1]
CC(=O)Nc1ccc2c(CS/C(N)=[NH+]/C(C)(C)C)cc(=O)oc2c1 CC(=O)N[*:1] CC(C)(C)/[NH+]=C(\N)SCc1cc(=O)oc2cc(ccc12)[*:1]
CC(=O)Nc1ccc2c(CS/C(N)=[NH+]/C(C)(C)C)cc(=O)oc2c1 CC(C)(C)[*:1] CC(=O)Nc1ccc2c(cc(=O)oc2c1)CSC(N)=[NH+][*:1]
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCOCC2)C1 C1CN(CCO1)C[*:1] CN(C)S(=O)(=O)N1CCC[C@@H](C1)C(=O)NCC[*:1]
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCOCC2)C1 C1CN(CCO1)[*:1] CN(C)S(=O)(=O)N1CCC[C@@H](C1)C(=O)NCCC[*:1]
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCOCC2)C1 C1CN(CCO1)CC[*:1] CN(C)S(=O)(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
FC(F)(F)c1ccc(Cn2ccnc2-c2ccc3nonc3c2)cn1 FC(F)(F)[*:1] c1cn(Cc2ccc(nc2)[*:1])c(n1)-c1ccc2nonc2c1
O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1 C1CN(CCO1)[*:1] O=[N+]([O-])c1ccc(NCc2ccc([nH+]c2)[*:1])c(Cl)c1
O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1 O=[N+]([O-])[*:1] Clc1cc(ccc1NCc1ccc([nH+]c1)N1CCOCC1)[*:1]
Cc1c[nH+]c(N[C@H]2CCC(=O)N(C)C2)nc1N(C)C CN(C)[*:1] Cc1c[nH+]c(nc1[*:1])N[C@H]1CCC(=O)N(C)C1
O=C1C[C@H](C2CCCCC2)[C@@H](c2ccc(F)cc2)C(=O)N1 Fc1ccc(cc1)[*:1] O=C1C[C@H](C2CCCCC2)[C@@H](C(=O)N1)[*:1]
O=C1C[C@H](C2CCCCC2)[C@@H](c2ccc(F)cc2)C(=O)N1 C1CCC(CC1)[*:1] O=C1C[C@H]([C@H](C(=O)N1)c1ccc(F)cc1)[*:1]
CCC(CC)[C@@H]1CCN(C(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)C1 CCC(CC)[*:1] COc1cc(cc(NC(C)=O)c1OC)C(=O)N1CC[C@H](C1)[*:1]
CCC(CC)[C@@H]1CCN(C(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)C1 CC(=O)N[*:1] CCC(CC)[C@@H]1CCN(C1)C(=O)c1cc(OC)c(OC)c(c1)[*:1]
Cc1ccc(/C=C/CC(=O)N(C)CC(=O)Nc2ccccc2)cc1 Cc1ccc(cc1)[*:1] CN(CC(=O)Nc1ccccc1)C(=O)CC=C[*:1]
Cc1ccc(/C=C/CC(=O)N(C)CC(=O)Nc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(/C=C/CC(=O)N(C)CC(=O)N[*:1])cc1
CCc1ncc(CN(C)C/C=C/c2ccc(C#N)cc2)s1 CCc1ncc(s1)[*:1] CN(C/C=C/c1ccc(C#N)cc1)C[*:1]
NC(=O)c1ccc(Cl)c(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)c1 NC(=O)[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1cnc(Cc2ccc(F)cc2)s1
NC(=O)c1ccc(Cl)c(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)c1 Fc1ccc(cc1)C[*:1] NC(=O)c1ccc(Cl)c(c1)NC(=O)c1cnc(s1)[*:1]
NC(=O)c1ccc(Cl)c(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)c1 Fc1ccc(cc1)[*:1] NC(=O)c1ccc(Cl)c(c1)NC(=O)c1cnc(C[*:1])s1
Cc1ccccc1Cc1nc(C[NH+]2CCCN(C(=O)C(C)(C)C)CC2)no1 Cc1ccccc1C[*:1] CC(C)(C)C(=O)N1CCC[NH+](CC1)Cc1noc(n1)[*:1]
Cc1ccccc1Cc1nc(C[NH+]2CCCN(C(=O)C(C)(C)C)CC2)no1 CC(C)(C)[*:1] Cc1ccccc1Cc1nc(C[NH+]2CCCN(CC2)C(=O)[*:1])no1
Cc1ccccc1Cc1nc(C[NH+]2CCCN(C(=O)C(C)(C)C)CC2)no1 Cc1ccccc1[*:1] CC(C)(C)C(=O)N1CCC[NH+](CC1)Cc1noc(C[*:1])n1
Cc1cccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c1C NS(=O)(=O)[*:1] Cc1cccc(NC(=O)CCc2ccc(cc2)[*:1])c1C
CO[C@@H](C[NH2+][C@@H](C)CC1CC1)c1ccc(F)cc1 C1CC1C[*:1] CO[C@@H](C[NH2+][C@@H](C)[*:1])c1ccc(F)cc1
CO[C@@H](C[NH2+][C@@H](C)CC1CC1)c1ccc(F)cc1 C1CC1[*:1] CO[C@@H](C[NH2+][C@@H](C)C[*:1])c1ccc(F)cc1
[NH3+][C@H](CCC(=O)[O-])Cc1cccc(C2CC2)c1 O=C([O-])C[*:1] [NH3+][C@@H](Cc1cccc(c1)C1CC1)C[*:1]
[NH3+][C@H](CCC(=O)[O-])Cc1cccc(C2CC2)c1 O=C([O-])[*:1] [NH3+][C@H](CC[*:1])Cc1cccc(c1)C1CC1
[NH3+][C@H](CCC(=O)[O-])Cc1cccc(C2CC2)c1 C1CC1[*:1] [NH3+][C@H](CCC(=O)[O-])Cc1cccc(c1)[*:1]
CCc1c(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)[nH]c(C)c1C(C)=O Cc1ccccc1[*:1] CCc1c([nH]c(C)c1C(C)=O)C(=O)N1C[C@@H](C[C@@H]1C)[*:1]
CCc1c(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)[nH]c(C)c1C(C)=O CC(=O)[*:1] CCc1c([nH]c(C)c1[*:1])C(=O)N1C[C@H](C[C@@H]1C)c1ccccc1C
CN1CC[C@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)c2ccccc21 O=c1ccn(c(=O)[nH]1)[*:1] CN1CC[C@H](CNC(=O)C[*:1])c2ccccc21
CCC1(C(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)CC[NH2+]CC1 O=C([O-])[*:1] CCC1(CC[NH2+]CC1)C(=O)N[C@H]1C=C[C@H](C1)[*:1]
CCC[NH2+][C@@H](c1cc(C)cc(F)c1)[C@H]1C[C@@H]1C CCC[*:1] Cc1cc(F)cc(c1)[C@H]([NH2+][*:1])[C@H]1C[C@@H]1C
CN(Cc1ccsc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 c1cc(cs1)[*:1] CN(C[*:1])C(=O)NCc1ccc(o1)-c1nc2ccccc2s1
CN(Cc1ccsc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 c1cc(cs1)C[*:1] CN(C(=O)NCc1ccc(o1)-c1nc2ccccc2s1)[*:1]
O=C(CCc1ccc(-c2ccc(F)cc2)o1)NCc1ccccc1 Fc1ccc(cc1)[*:1] O=C(CCc1ccc(o1)[*:1])NCc1ccccc1
O=C(CCc1ccc(-c2ccc(F)cc2)o1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCc1ccc(o1)-c1ccc(F)cc1)N[*:1]
O=C(CCc1ccc(-c2ccc(F)cc2)o1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCc1ccc(o1)-c1ccc(F)cc1)NC[*:1]
COc1ccc([C@H](NC(=O)NC[C@@H](C)N2CCOCC2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H](NC(=O)NC[C@@H](C)N1CCOCC1)[*:1]
COc1ccc([C@H](NC(=O)NC[C@@H](C)N2CCOCC2)C(C)C)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)[C@H](NC(=O)NC[C@@H](C)[*:1])C(C)C
COc1ccc([C@H](NC(=O)NC[C@@H](C)N2CCOCC2)C(C)C)cc1 COc1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)NC[C@@H](C)N1CCOCC1)[*:1]
COc1ccc([C@H](NC(=O)NC[C@@H](C)N2CCOCC2)C(C)C)cc1 C[C@@H](N1CCOCC1)[*:1] COc1ccc(cc1)[C@H](NC(=O)NC[*:1])C(C)C
NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1F c1ccc(cc1)[*:1] NS(=O)(=O)c1ccc(cc1F)[N-]S(=O)(=O)CC[*:1]
NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1F NS(=O)(=O)[*:1] O=S(=O)(CCc1ccccc1)[N-]c1ccc(c(F)c1)[*:1]
NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1F c1ccc(cc1)C[*:1] NS(=O)(=O)c1ccc(cc1F)[N-]S(=O)(=O)C[*:1]
C[NH+](CCc1cccs1)Cc1cccc(C(=O)N2CCCCC2)c1 c1csc(c1)CC[*:1] C[NH+](Cc1cccc(c1)C(=O)N1CCCCC1)[*:1]
C[NH+](CCc1cccs1)Cc1cccc(C(=O)N2CCCCC2)c1 O=C(N1CCCCC1)[*:1] C[NH+](CCc1cccs1)Cc1cccc(c1)[*:1]
C[NH+](CCc1cccs1)Cc1cccc(C(=O)N2CCCCC2)c1 c1csc(c1)C[*:1] C[NH+](Cc1cccc(c1)C(=O)N1CCCCC1)C[*:1]
C[NH+](CCc1cccs1)Cc1cccc(C(=O)N2CCCCC2)c1 c1csc(c1)[*:1] C[NH+](CC[*:1])Cc1cccc(c1)C(=O)N1CCCCC1
Cc1cc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccco2)cc(C)c1F c1coc(c1)[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)N(CC[NH+](C)C)C[*:1]
Cc1cc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccco2)cc(C)c1F c1coc(c1)C[*:1] Cc1cc(cc(C)c1F)[C@@H](C)NC(=O)N(CC[NH+](C)C)[*:1]
C[C@H](C(=O)N1CCCCC[C@H]1c1ccco1)c1cccs1 c1csc(c1)[*:1] C[C@H](C(=O)N1CCCCC[C@H]1c1ccco1)[*:1]
C[C@H](C(=O)N1CCCCC[C@H]1c1ccco1)c1cccs1 C[C@H](c1cccs1)[*:1] O=C(N1CCCCC[C@H]1c1ccco1)[*:1]
C[C@H](C(=O)N1CCCCC[C@H]1c1ccco1)c1cccs1 c1coc(c1)[*:1] C[C@H](C(=O)N1CCCCC[C@@H]1[*:1])c1cccs1
C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)[*:1]
Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N2CCC2)C1 O=C(N[*:1])N1CCC1 Cc1ccc(Cl)cc1N1CC[C@@H](C1)C[*:1]
C[C@@H]1CC(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C[C@@H](C)O1 Brc1cccc(c1)[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccnn1C[*:1]
C[C@@H]1CC(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C[C@@H](C)O1 Brc1cccc(c1)C[*:1] C[C@@H]1CC(C[C@@H](C)O1)C(=O)Nc1ccnn1[*:1]
Cn1cc(Br)cc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] Cn1cc(Br)cc1C(=O)NC[C@@H]1CCN(C1)[*:1]
Cn1cc(Br)cc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 Cn1cc(Br)cc1[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)[*:1]
CCOC(=O)c1[nH]ncc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCOC(=O)c1[nH]ncc1C[NH+]1CCC(CC1)NC(=O)N[*:1]
CCOC(=O)c1[nH]ncc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 CCOC(=O)[*:1] O=C(Nc1ccc(F)cc1)NC1CC[NH+](CC1)Cc1cn[nH]c1[*:1]
C[NH+](C)C1([C@@H](O)CC2CCCC2)CCCCC1 C1CCC(C1)[*:1] C[NH+](C)C1(CCCCC1)[C@@H](O)C[*:1]
CC(=O)NC(C)(C)c1noc(COc2ccccc2C(C)(C)C)n1 CC(=O)NC(C)(C)[*:1] CC(C)(C)c1ccccc1OCc1nc(no1)[*:1]
CC(=O)NC(C)(C)c1noc(COc2ccccc2C(C)(C)C)n1 CC(C)(C)[*:1] CC(=O)NC(C)(C)c1noc(COc2ccccc2[*:1])n1
CC(=O)NC(C)(C)c1noc(COc2ccccc2C(C)(C)C)n1 CC(=O)N[*:1] CC(C)(C)c1ccccc1OCc1nc(no1)C(C)(C)[*:1]
O=C([O-])CCCCCC(F)(F)c1ccccc1 O=C([O-])CC[*:1] FC(F)(CCC[*:1])c1ccccc1
O=C([O-])CCCCCC(F)(F)c1ccccc1 O=C([O-])[*:1] FC(F)(CCCCC[*:1])c1ccccc1
O=C([O-])CCCCCC(F)(F)c1ccccc1 O=C([O-])C[*:1] FC(F)(CCCC[*:1])c1ccccc1
CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)c1 CC(=O)Nc1cccc(c1)[*:1] Cc1ccc(cc1)C(=O)[C@H](Sc1nncn1[*:1])c1ccc(C)cc1
CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)c1 Cc1ccc(cc1)C(=O)[*:1] CC(=O)Nc1cccc(c1)-n1cnnc1S[C@@H](c1ccc(C)cc1)[*:1]
CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)-n1cnnc1S[C@@H](C(=O)c1ccc(C)cc1)[*:1]
CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] CC(=O)Nc1cccc(c1)-n1cnnc1S[C@@H](C(=O)[*:1])c1ccc(C)cc1
CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)c1 CC(=O)N[*:1] Cc1ccc(cc1)C(=O)[C@H](Sc1nncn1-c1cccc(c1)[*:1])c1ccc(C)cc1
Cc1cccc(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)c1O CS(=O)(=O)C[*:1] Cc1cccc(C(=O)NCc2ccc(cc2)[*:1])c1O
Cc1cccc(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)c1O CS(=O)(=O)[*:1] Cc1cccc(C(=O)NCc2ccc(cc2)C[*:1])c1O
CC(C)(C)c1ccc2oc([C@@H]3CCCCC[C@H]3[NH3+])nc2c1 CC(C)(C)[*:1] [NH3+][C@@H]1CCCCC[C@H]1c1nc2cc(ccc2o1)[*:1]
C=CCOC(=O)c1c2c(nc3ccc(C)cc13)CCN(C(=O)c1ccccc1F)C2 C=CCOC(=O)[*:1] Cc1ccc2nc3CCN(Cc3c(c2c1)[*:1])C(=O)c1ccccc1F
C=CCOC(=O)c1c2c(nc3ccc(C)cc13)CCN(C(=O)c1ccccc1F)C2 C=CC[*:1] Cc1ccc2nc3CCN(Cc3c(C(=O)O[*:1])c2c1)C(=O)c1ccccc1F
C=CCOC(=O)c1c2c(nc3ccc(C)cc13)CCN(C(=O)c1ccccc1F)C2 Fc1ccccc1[*:1] C=CCOC(=O)c1c2CN(CCc2nc2ccc(C)cc12)C(=O)[*:1]
Cc1nsc(N2CCCN(C(=O)C[C@@H](C)c3ccccc3C)CC2)n1 Cc1nsc(n1)[*:1] Cc1ccccc1[C@H](C)CC(=O)N1CCCN(CC1)[*:1]
Cc1nsc(N2CCCN(C(=O)C[C@@H](C)c3ccccc3C)CC2)n1 Cc1ccccc1[*:1] Cc1nsc(n1)N1CCCN(CC1)C(=O)C[C@@H](C)[*:1]
O=C(C1=CC2=CC=N[C@@H]2C=C1)N1CCC[C@@H](CN2C[C@H](CCO)N[NH2+]2)C1 OCC[*:1] O=C(C1C=C[C@H]2N=CC=C2C=1)N1CCC[C@@H](CN2C[C@H](N[NH2+]2)[*:1])C1
Cc1cc(C)nc([C@@H](C#N)C(=O)COc2cccc(NC(=O)C3CC3)c2)n1 C1CC1[*:1] Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)COc1cccc(c1)NC(=O)[*:1]
Cc1cc(C)nc([C@@H](C#N)C(=O)COc2cccc(NC(=O)C3CC3)c2)n1 O=C(N[*:1])C1CC1 Cc1cc(C)nc(n1)[C@@H](C#N)C(=O)COc1cccc(c1)[*:1]
Cc1cc(C)nc([C@@H](C#N)C(=O)COc2cccc(NC(=O)C3CC3)c2)n1 Cc1cc(C)nc(n1)[*:1] N#C[C@@H](C(=O)COc1cccc(c1)NC(=O)C1CC1)[*:1]
COCCn1nc(C)c(NC(=O)c2cc(SC)ccc2C)c1C COCC[*:1] CSc1ccc(C)c(c1)C(=O)Nc1c(C)nn(c1C)[*:1]
COCCn1nc(C)c(NC(=O)c2cc(SC)ccc2C)c1C COC[*:1] CSc1ccc(C)c(c1)C(=O)Nc1c(C)nn(C[*:1])c1C
C[C@@H](NC(=O)c1ccccc1Nc1ccccc1)[C@@H]1CCCO1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)c1ccccc1N[*:1])[C@@H]1CCCO1
C[C@@H](NC(=O)c1ccccc1Nc1ccccc1)[C@@H]1CCCO1 c1ccc(cc1)N[*:1] C[C@@H](NC(=O)c1ccccc1[*:1])[C@@H]1CCCO1
CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 c1ccc2CC(Cc2c1)[*:1] CCN1C(=O)N(C(=O)C12CC[NH+](CC2)Cc1cnn(c1)-c1ccc(F)cc1)[*:1]
CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 Fc1ccc(cc1)-n1cc(cn1)[*:1] CCN1C(=O)N(C(=O)C12CC[NH+](CC2)C[*:1])C1Cc2ccccc2C1
CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 Fc1ccc(cc1)[*:1] CCN1C(=O)N(C(=O)C12CC[NH+](CC2)Cc1cnn(c1)[*:1])C1Cc2ccccc2C1
CCN(CC(=O)NC)S(=O)(=O)C[C@@H](C)CCl CNC(=O)[*:1] CCN(C[*:1])S(=O)(=O)C[C@@H](C)CCl
CCN(CC(=O)NC)S(=O)(=O)C[C@@H](C)CCl C[C@@H](CCl)[*:1] CCN(CC(=O)NC)S(=O)(=O)C[*:1]
CCN(CC(=O)NC)S(=O)(=O)C[C@@H](C)CCl CNC(=O)C[*:1] CCN(S(=O)(=O)C[C@@H](C)CCl)[*:1]
O=C(C[NH2+]Cc1ccco1)Nc1cccc(Br)c1 c1coc(c1)[*:1] O=C(C[NH2+]C[*:1])Nc1cccc(Br)c1
O=C(C[NH2+]Cc1ccco1)Nc1cccc(Br)c1 c1coc(c1)C[*:1] O=C(C[NH2+][*:1])Nc1cccc(Br)c1
Cc1ccc2c(c1)N(C(=O)N1CCC[C@@H](C(=O)NCc3ccccc3F)C1)C[C@H](C)O2 Fc1ccccc1C[*:1] Cc1ccc2O[C@@H](C)CN(C(=O)N3CCC[C@H](C3)C(=O)N[*:1])c2c1
Cc1ccc2c(c1)N(C(=O)N1CCC[C@@H](C(=O)NCc3ccccc3F)C1)C[C@H](C)O2 Fc1ccccc1[*:1] Cc1ccc2O[C@@H](C)CN(C(=O)N3CCC[C@H](C3)C(=O)NC[*:1])c2c1
NC(=O)[C@@]1([NH2+]C2CC2)CC[C@H](Sc2ccc(Cl)c(Cl)c2)C1 NC(=O)[*:1] Clc1ccc(cc1Cl)S[C@H]1CC[C@@](C1)([NH2+]C1CC1)[*:1]
NC(=O)[C@@]1([NH2+]C2CC2)CC[C@H](Sc2ccc(Cl)c(Cl)c2)C1 C1CC1[*:1] NC(=O)[C@]1(CC[C@@H](C1)Sc1ccc(Cl)c(Cl)c1)[NH2+][*:1]
Cc1c(NC(=O)[C@H]2CCCN2C(=O)C2CC2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])NC(=O)[C@H]1CCCN1C(=O)C1CC1
Cc1c(NC(=O)[C@H]2CCCN2C(=O)C2CC2)cccc1[N+](=O)[O-] C1CC1[*:1] Cc1c(cccc1[N+](=O)[O-])NC(=O)[C@H]1CCCN1C(=O)[*:1]
COc1cccc(N2CCN(C(=O)CN3C(=O)c4cccnc4Oc4ccccc43)CC2)c1 COc1cccc(c1)[*:1] O=C(CN1C(=O)c2cccnc2Oc2ccccc21)N1CCN(CC1)[*:1]
O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cnccn1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCC[C@H]1C[*:1])c1cnccn1
O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cnccn1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CCC[C@@H]1[*:1])c1cnccn1
O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cnccn1 c1cnc(cn1)[*:1] O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)[*:1]
NC(=O)[C@@]1([NH2+]C2CC2)CC[C@H](Sc2cccs2)C1 C1CC1[*:1] NC(=O)[C@]1(CC[C@@H](C1)Sc1cccs1)[NH2+][*:1]
NC(=O)[C@@]1([NH2+]C2CC2)CC[C@H](Sc2cccs2)C1 NC(=O)[*:1] c1csc(c1)S[C@H]1CC[C@@](C1)([NH2+]C1CC1)[*:1]
NC(=O)[C@@]1([NH2+]C2CC2)CC[C@H](Sc2cccs2)C1 c1csc(c1)S[*:1] NC(=O)[C@]1(CC[C@H](C1)[*:1])[NH2+]C1CC1
NC(=O)[C@@]1([NH2+]C2CC2)CC[C@H](Sc2cccs2)C1 c1csc(c1)[*:1] NC(=O)[C@]1(CC[C@@H](C1)S[*:1])[NH2+]C1CC1
CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 CCC(=O)N[*:1] c1csc(c1)[C@@H](C[*:1])[NH+]1CCCC1
CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 c1csc(c1)[*:1] CCC(=O)NC[C@H]([NH+]1CCCC1)[*:1]
O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccsc1 c1cc(cs1)[*:1] O=C(C[C@@H]1CN(CCO1)Cc1ccccc1)N[*:1]
O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccsc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1CN(CCO1)C[*:1])Nc1ccsc1
O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)Nc1ccsc1 c1ccc(cc1)C[*:1] O=C(C[C@@H]1CN(CCO1)[*:1])Nc1ccsc1
O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1Br Brc1ccccc1[*:1] O=C(NNC(=S)NC(=O)[*:1])[C@@H]1CC(=O)N(Cc2ccccc2)C1
O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1Br c1ccc(cc1)[*:1] O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(C1)C[*:1])c1ccccc1Br
O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1Br c1ccc(cc1)C[*:1] O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(C1)[*:1])c1ccccc1Br
C[C@H](CCc1ccccc1F)C(=O)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] C[C@H](CCc1ccccc1F)C(=O)N1CC[NH+](CC1)C[*:1]
C[C@H](CCc1ccccc1F)C(=O)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] C[C@H](CCc1ccccc1F)C(=O)N1CC[NH+](CC1)[*:1]
C[C@H](CCc1ccccc1F)C(=O)N1CC[NH+](CC2CC2)CC1 Fc1ccccc1[*:1] C[C@H](CC[*:1])C(=O)N1CC[NH+](CC1)CC1CC1
CC(C)Nc1ncccc1C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 CC(C)(C)[*:1] CC(C)Nc1ncccc1C(=O)N[C@H](C)c1nc(no1)[*:1]
CC(C)Nc1ncccc1C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 CC(C)[*:1] C[C@@H](NC(=O)c1cccnc1N[*:1])c1nc(no1)C(C)(C)C
CC(C)Nc1ncccc1C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 CC(C)N[*:1] C[C@@H](NC(=O)c1cccnc1[*:1])c1nc(no1)C(C)(C)C
Nc1nc(C(=O)N2CCC[C@@H](COc3cccc(F)c3)C2)n[nH]1 Fc1cccc(c1)[*:1] Nc1nc(n[nH]1)C(=O)N1CCC[C@@H](CO[*:1])C1
Nc1nc(C(=O)N2CCC[C@@H](COc3cccc(F)c3)C2)n[nH]1 Nc1nc(n[nH]1)[*:1] O=C(N1CCC[C@@H](COc2cccc(F)c2)C1)[*:1]
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(C)C(=S)N2C)c2ccccc21 C[C@@H]1CCCCN1C(=O)[*:1] CN1C(=O)/C(=C/c2cn(C[*:1])c3ccccc23)N(C)C1=S
CC[C@@H](C)[C@H]1C(=O)N[C@H](C)C(=O)N1Cc1cccc(O)c1 CC[C@@H](C)[*:1] C[C@H]1NC(=O)[C@@H](N(Cc2cccc(O)c2)C1=O)[*:1]
CC[C@@H](C)[C@H]1C(=O)N[C@H](C)C(=O)N1Cc1cccc(O)c1 Oc1cccc(c1)[*:1] CC[C@@H](C)[C@H]1C(=O)N[C@H](C)C(=O)N1C[*:1]
COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cnn(C)c2C)cc1 Cc1c(cnn1C)[*:1] COc1ccc(cc1)[C@@H](O)[C@@H](C)NC(=O)[*:1]
O=C([O-])CC[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O O=C([O-])CC[*:1] O=C([O-])[C@@H](N1Cc2ccccc2C1=O)[*:1]
O=C([O-])CC[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O O=C([O-])C[*:1] O=C([O-])[C@H](C[*:1])N1Cc2ccccc2C1=O
O=C([O-])CC[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O O=C([O-])[*:1] O=C([O-])[C@H](CC[*:1])N1Cc2ccccc2C1=O
O=C([O-])CC[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O O=C([O-])[*:1] O=C([O-])CC[C@@H](N1Cc2ccccc2C1=O)[*:1]
O=C(N[C@@H](ON1C(=O)[C@H](O)Oc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](O)Oc2ccccc2N1O[C@H](NC(=O)[*:1])C(Cl)(Cl)Cl
O=C(N[C@@H](ON1C(=O)[C@H](O)Oc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C1[C@H](O)Oc2ccccc2N1O[C@@H](C(Cl)(Cl)Cl)[*:1]
O=C(N[C@@H](ON1C(=O)[C@H](O)Oc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 ClC(Cl)(Cl)[*:1] O=C(N[C@@H](ON1C(=O)[C@H](O)Oc2ccccc21)[*:1])c1ccccc1
O=C(c1cc(-c2ccccc2)no1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 c1ccc(cc1)[*:1] O=C(c1cc(no1)[*:1])N1CCC[C@H](C1)c1cc(=O)[nH]cn1
O=C(c1cc(-c2ccccc2)no1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 O=c1cc(nc[nH]1)[*:1] O=C(c1cc(no1)-c1ccccc1)N1CCC[C@@H](C1)[*:1]
COc1ccccc1C1(CNC(=O)NCCCO)CCCC1 OCC[*:1] COc1ccccc1C1(CCCC1)CNC(=O)NC[*:1]
COc1ccccc1C1(CNC(=O)NCCCO)CCCC1 OCCC[*:1] COc1ccccc1C1(CCCC1)CNC(=O)N[*:1]
C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ccccc3)n2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1c1ccccc1)NC(=O)c1cnn(n1)[*:1]
C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ccccc3)n2)CN1c1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1C[C@H](CN1[*:1])NC(=O)c1cnn(n1)-c1ccccc1
CCC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cccc(C)c2C)CC1 c1ccc(cc1)C[*:1] CCC[C@@H](c1nnnn1[*:1])[NH+]1CCN(CC1)c1cccc(C)c1C
CCC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cccc(C)c2C)CC1 Cc1cccc(c1C)[*:1] CCC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(CC1)[*:1]
CCC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cccc(C)c2C)CC1 CCC[*:1] Cc1cccc(c1C)N1CC[NH+](CC1)[C@H](c1nnnn1Cc1ccccc1)[*:1]
CCC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cccc(C)c2C)CC1 c1ccc(cc1)[*:1] CCC[C@@H](c1nnnn1C[*:1])[NH+]1CCN(CC1)c1cccc(C)c1C
Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(N(C)C)cc1)C(=O)N2 CN(C)[*:1] Cc1ccc2NC(=O)[C@@](O)(CC(=O)c3ccc(cc3)[*:1])c2c1
C=CCNC(=O)N(CCc1cccc(F)c1)C1CC1 C=CC[*:1] O=C(N[*:1])N(CCc1cccc(F)c1)C1CC1
C=CCNC(=O)N(CCc1cccc(F)c1)C1CC1 C1CC1[*:1] C=CCNC(=O)N(CCc1cccc(F)c1)[*:1]
C[C@@H](c1ccco1)N(C)S(=O)(=O)c1cc(Br)ccc1Cl c1coc(c1)[*:1] C[C@@H](N(C)S(=O)(=O)c1cc(Br)ccc1Cl)[*:1]
COc1ccc(C2=NN=C[C@@H]2/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1 CC(C)[*:1] COc1ccc(cc1)C1=NN=C[C@@H]1/C=C(\C#N)C(=O)Nc1ccc(cc1)[*:1]
COc1ccc(C2=NN=C[C@@H]2/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1 CC(C)c1ccc(cc1)[*:1] COc1ccc(cc1)C1=NN=C[C@@H]1/C=C(\C#N)C(=O)N[*:1]
COc1ccc(C2=NN=C[C@@H]2/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1 COc1ccc(cc1)[*:1] CC(C)c1ccc(cc1)NC(=O)/C(C#N)=C/[C@H]1C=NN=C1[*:1]
CCOc1cc(NC2C[C@H](C)O[C@@H](C)C2)ccc1C CCO[*:1] Cc1ccc(cc1[*:1])NC1C[C@H](C)O[C@@H](C)C1
N#Cc1ccc(OCC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CO[*:1])NNC(=O)Cc1cn2ccccc2n1
COc1ccc(-c2n[nH]cc2/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)-c1n[nH]cc1/C=C(/C#N)c1nc(cs1)[*:1]
COc1ccc(-c2n[nH]cc2/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1 COc1ccc(cc1)[*:1] N#C/C(=C/c1c[nH]nc1[*:1])c1nc(cs1)-c1ccncc1
CC(C)[NH+](C)CCNc1nc(Cl)ncc1Cl CC(C)[*:1] C[NH+](CCNc1nc(Cl)ncc1Cl)[*:1]
Cc1ccccc1NC(=O)Nc1cnc(-n2nc(C)c(C)c2C)nc1 Cc1ccccc1[*:1] Cc1nn(-c2ncc(cn2)NC(=O)N[*:1])c(C)c1C
Cc1ccccc1NC(=O)Nc1cnc(-n2nc(C)c(C)c2C)nc1 Cc1nn(c(C)c1C)[*:1] Cc1ccccc1NC(=O)Nc1cnc(nc1)[*:1]
COCCCn1cnnc1[S@](=O)Cc1nc2ccccc2s1 COC[*:1] O=[S@](Cc1nc2ccccc2s1)c1nncn1CC[*:1]
COCCCn1cnnc1[S@](=O)Cc1nc2ccccc2s1 COCC[*:1] O=[S@](Cc1nc2ccccc2s1)c1nncn1C[*:1]
COCCCn1cnnc1[S@](=O)Cc1nc2ccccc2s1 COCCC[*:1] O=[S@](Cc1nc2ccccc2s1)c1nncn1[*:1]
CC(C)(C)c1cc(C(=O)[O-])c(O)c(C(=O)[O-])c1 CC(C)(C)[*:1] O=C([O-])c1cc(cc(C(=O)[O-])c1O)[*:1]
CC(C)(C)c1cc(C(=O)[O-])c(O)c(C(=O)[O-])c1 O=C([O-])[*:1] CC(C)(C)c1cc(C(=O)[O-])c(O)c(c1)[*:1]
O=C(NCCNS(=O)(=O)c1ccccc1)N1CCc2ccccc21 c1ccc(cc1)[*:1] O=C(NCCNS(=O)(=O)[*:1])N1CCc2ccccc21
CC[NH+]1CCN(Cc2cc(F)cc(C#CCO)c2)CC1 OCC#C[*:1] CC[NH+]1CCN(CC1)Cc1cc(F)cc(c1)[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCCN(C)C(=O)OC COC(=O)N(C)[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCC[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCCN(C)C(=O)OC COC(=O)N(C)CC[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)C[*:1]
CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCCN(C)C(=O)OC COC(=O)N(C)C[*:1] CC[C@H]1CN(C)c2ccccc2CN1C(=O)CC[*:1]
O=C(Cc1ccccc1F)NCc1ccc(N2CCCC2=O)cc1 Fc1ccccc1C[*:1] O=C1CCCN1c1ccc(cc1)CNC(=O)[*:1]
O=C(Cc1ccccc1F)NCc1ccc(N2CCCC2=O)cc1 Fc1ccccc1[*:1] O=C(C[*:1])NCc1ccc(cc1)N1CCCC1=O
O=C(Cc1ccccc1F)NCc1ccc(N2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(Cc1ccccc1F)NCc1ccc(cc1)[*:1]
O=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)Nc1cccnc1 c1cncc(c1)[*:1] O=C(Cn1cnc(c1)S(=O)(=O)N1CCOCC1)N[*:1]
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(NCc2ccco2)s1 c1coc(c1)[*:1] Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(NC[*:1])s1
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(NCc2ccco2)s1 Cc1nn(C)c(C)c1[*:1] C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)N[*:1]
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(NCc2ccco2)s1 c1coc(c1)CN[*:1] Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(s1)[*:1]
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(NCc2ccco2)s1 c1coc(c1)C[*:1] Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(N[*:1])s1
CCC(CC)NC(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 CCC(CC)[*:1] O=C(N[C@@H]1C=C[C@H](C1)C(=O)[O-])N[*:1]
CCC(CC)NC(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 O=C([O-])[*:1] CCC(CC)NC(=O)N[C@@H]1C=C[C@@H](C1)[*:1]
O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 Fc1ccc(cc1)[*:1] O=C(c1cncn1[*:1])N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(c1cncn1-c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 O=[N+]([O-])[*:1] O=C(c1cncn1-c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[*:1]
Cc1noc(C2CN(C(=O)COc3cccc4c3OC(C)(C)C4)C2)n1 Cc1noc(n1)[*:1] CC1(C)Cc2cccc(OCC(=O)N3CC(C3)[*:1])c2O1
COc1cc(Br)cc(C)c1NC(=O)c1ccc(OCC2CC2)nc1 C1CC1CO[*:1] COc1cc(Br)cc(C)c1NC(=O)c1ccc(nc1)[*:1]
COc1cc(Br)cc(C)c1NC(=O)c1ccc(OCC2CC2)nc1 C1CC1[*:1] COc1cc(Br)cc(C)c1NC(=O)c1ccc(nc1)OC[*:1]
COc1cc(Br)cc(C)c1NC(=O)c1ccc(OCC2CC2)nc1 C1CC1C[*:1] COc1cc(Br)cc(C)c1NC(=O)c1ccc(nc1)O[*:1]
Cc1csc([C@@H](NC(=O)Cc2ccc(C)c(O)c2)C2CC2)n1 Cc1csc(n1)[*:1] Cc1ccc(cc1O)CC(=O)N[C@@H](C1CC1)[*:1]
Cc1csc([C@@H](NC(=O)Cc2ccc(C)c(O)c2)C2CC2)n1 C1CC1[*:1] Cc1csc(n1)[C@@H](NC(=O)Cc1ccc(C)c(O)c1)[*:1]
CC[C@H](Br)C(=O)Nc1nc2c(F)cc(Br)cc2s1 CC[C@H](Br)[*:1] O=C(Nc1nc2c(F)cc(Br)cc2s1)[*:1]
COc1ccc([C@H](C)NC(=O)c2cc(C(C)C)n(C)n2)cc1F CC(C)[*:1] COc1ccc(cc1F)[C@H](C)NC(=O)c1cc(n(C)n1)[*:1]
Cc1ccc(C)c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 Cc1ccc(C)c(c1)[*:1] O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[*:1]
O=C(c1cccnc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F c1cncc(c1)[*:1] O=C(N1N=C(C[C@]1(O)C(F)(F)F)c1ccc(Br)cc1)[*:1]
O=C(c1cccnc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F FC(F)(F)[*:1] O=C(c1cccnc1)N1N=C(C[C@@]1(O)[*:1])c1ccc(Br)cc1
O=C(c1cccnc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F Brc1ccc(cc1)[*:1] O=C(c1cccnc1)N1N=C(C[C@]1(O)C(F)(F)F)[*:1]
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 c1ccc(cc1)[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(C2CC2)n1[*:1]
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 C1CC1[*:1] C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(n1-c1ccccc1)[*:1]
CCC(C)(C)Oc1ccc(S(N)(=O)=O)c(N)c1 NS(=O)(=O)[*:1] CCC(C)(C)Oc1ccc(c(N)c1)[*:1]
CCC(C)(C)Oc1ccc(S(N)(=O)=O)c(N)c1 CCC(C)(C)[*:1] Nc1cc(ccc1S(N)(=O)=O)O[*:1]
O=C(CC[NH2+]Cc1ccc(C2CC2)cc1)NC1CC1 C1CC1[*:1] O=C(CC[NH2+]Cc1ccc(cc1)[*:1])NC1CC1
O=C(CC[NH2+]Cc1ccc(C2CC2)cc1)NC1CC1 C1CC1[*:1] O=C(CC[NH2+]Cc1ccc(cc1)C1CC1)N[*:1]
O=C(CC[NH2+]Cc1ccc(C2CC2)cc1)NC1CC1 O=C(NC1CC1)[*:1] c1cc(ccc1C[NH2+]CC[*:1])C1CC1
C[C@H]1CC[C@@](Cc2nc(C(C)(C)C)cs2)(C(=O)[O-])C1 O=C([O-])[*:1] C[C@H]1CC[C@@](Cc2nc(cs2)C(C)(C)C)(C1)[*:1]
C[C@H]1CC[C@@](Cc2nc(C(C)(C)C)cs2)(C(=O)[O-])C1 CC(C)(C)[*:1] C[C@H]1CC[C@](Cc2nc(cs2)[*:1])(C1)C(=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@](O)(c1cccs1)C1CC1 C1CC1[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@@](O)(c1cccs1)[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@](O)(c1cccs1)C1CC1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@@](O)(c1cccs1)C1CC1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@](O)(c1cccs1)C1CC1 c1csc(c1)[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@@](O)(C1CC1)[*:1])[N+](=O)[O-]
O=C(OCc1nc(-c2ccsc2)no1)C1CCN(C(=O)Nc2ccccc2)CC1 c1cc(cs1)[*:1] O=C(OCc1nc(no1)[*:1])C1CCN(CC1)C(=O)Nc1ccccc1
O=C(OCc1nc(-c2ccsc2)no1)C1CCN(C(=O)Nc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(OCc1nc(no1)-c1ccsc1)C1CCN(CC1)C(=O)N[*:1]
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(F)c(F)c1 COC(=O)[*:1] O=C(Cc1ccc(F)c(F)c1)N[C@H]1CCCC[C@H]1[*:1]
O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 O=C(Nc1ccccc1Cl)[*:1] c1nc(c2nc3CCCCCn3c2n1)N1CCC[C@H](C1)[*:1]
O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 Clc1ccccc1[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ncnc2c1nc1CCCCCn12
CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C O=C([O-])[*:1] CC(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)[*:1]
CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C CC(C)[*:1] CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])[*:1]
CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C CC(=O)N[*:1] CC(C)[C@H](NC(=O)[C@H](C)[*:1])C(=O)[O-]
C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=S(=O)(N1CCCCC1)[*:1] C[C@@H](Oc1cccc(c1)N1CCCC1=O)C(=O)Nc1ccc(cc1)[*:1]
C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 O=C1CCCN1[*:1] C[C@@H](Oc1cccc(c1)[*:1])C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
CC(C)c1ocnc1CSCC(=O)Nc1ccc(F)cc1F CC(C)[*:1] O=C(CSCc1ncoc1[*:1])Nc1ccc(F)cc1F
N#C[C@@H](c1cncn1C1CC1)N1CCCCC1 C1CC1[*:1] N#C[C@@H](c1cncn1[*:1])N1CCCCC1
CCOCc1ccc(NC(=O)COc2ccc(F)cc2)cc1 CCO[*:1] O=C(COc1ccc(F)cc1)Nc1ccc(cc1)C[*:1]
CCOCc1ccc(NC(=O)COc2ccc(F)cc2)cc1 CCOC[*:1] O=C(COc1ccc(F)cc1)Nc1ccc(cc1)[*:1]
CCOCc1ccc(NC(=O)COc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CCOCc1ccc(cc1)NC(=O)CO[*:1]
COC[C@](C)(O)CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 O=S1(=O)CCCCN1[*:1] COC[C@](C)(O)CNS(=O)(=O)c1ccc(cc1)[*:1]
COC[C@](C)(O)CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 COC[*:1] C[C@](O)(CNS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O)[*:1]
O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)CCCC2CCCC2)C1 C1CCC(C1)CC[*:1] O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C1)C(=O)C[*:1]
O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)CCCC2CCCC2)C1 C1CCC(C1)[*:1] O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C1)C(=O)CCC[*:1]
O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)CCCC2CCCC2)C1 Fc1ccc(cc1)[*:1] O=C(N[C@@H]1CCN(C1)C(=O)CCCC1CCCC1)N[*:1]
O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)CCCC2CCCC2)C1 C1CCC(C1)CCC[*:1] O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C1)C(=O)[*:1]
O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)CCCC2CCCC2)C1 C1CCC(C1)C[*:1] O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C1)C(=O)CC[*:1]
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 c1ccc2c(cccc2c1)C[*:1] O=C(NNC(=O)[*:1])c1ccc(cc1)Cn1nnc(n1)-c1ccccc1
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 c1ccc2c(cccc2c1)[*:1] O=C(C[*:1])NNC(=O)c1ccc(cc1)Cn1nnc(n1)-c1ccccc1
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(cc1)Cn1nnc(n1)[*:1]
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 c1ccc(cc1)-c1nnn(n1)[*:1] O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(cc1)C[*:1]
CCOc1cccc(/C=N/c2ccc(F)c(NC(=O)c3ccoc3C)c2)c1O Cc1occc1C(=O)N[*:1] CCOc1cccc(/C=N/c2ccc(F)c(c2)[*:1])c1O
CCOc1cccc(/C=N/c2ccc(F)c(NC(=O)c3ccoc3C)c2)c1O Cc1occc1[*:1] CCOc1cccc(/C=N/c2ccc(F)c(c2)NC(=O)[*:1])c1O
CCOc1cccc(/C=N/c2ccc(F)c(NC(=O)c3ccoc3C)c2)c1O CCO[*:1] Cc1occc1C(=O)Nc1cc(ccc1F)/N=C/c1cccc(c1O)[*:1]
C#CCNC(=O)CN1CCN(S(=O)(=O)N2CCCC2)CC1 C#CCNC(=O)C[*:1] O=S(=O)(N1CCCC1)N1CCN(CC1)[*:1]
C#CCNC(=O)CN1CCN(S(=O)(=O)N2CCCC2)CC1 C#CC[*:1] O=C(CN1CCN(CC1)S(=O)(=O)N1CCCC1)N[*:1]
C#CCNC(=O)CN1CCN(S(=O)(=O)N2CCCC2)CC1 C#CCNC(=O)[*:1] O=S(=O)(N1CCCC1)N1CCN(CC1)C[*:1]
Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1C Fc1ccc(cc1)[*:1] Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(cc2)S(=O)(=O)N[*:1])c1C
Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1C O=S(=O)(Nc1ccc(F)cc1)[*:1] Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(cc2)[*:1])c1C
Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1C Cc1cccc(c1C)[*:1] CN(CC(=O)N[*:1])C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)cc1
Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1C Cc1cccc(NC(=O)[*:1])c1C CN(C[*:1])C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)cc1
Cc1cc(F)cc(C(=O)c2ncc[nH]2)c1 c1c[nH]c(n1)[*:1] Cc1cc(F)cc(c1)C(=O)[*:1]
FC(F)CN1C[C@@H](C2CCCCC2)[NH2+]Cc2ccccc21 C1CCC(CC1)[*:1] FC(F)CN1C[C@@H]([NH2+]Cc2ccccc21)[*:1]
FC(F)CN1C[C@@H](C2CCCCC2)[NH2+]Cc2ccccc21 FC(F)C[*:1] c1ccc2c(c1)C[NH2+][C@@H](CN2[*:1])C1CCCCC1
FC(F)CN1C[C@@H](C2CCCCC2)[NH2+]Cc2ccccc21 FC(F)[*:1] c1ccc2c(c1)C[NH2+][C@@H](CN2C[*:1])C1CCCCC1
CCOc1cc(NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])NC(=O)[C@@H](C)n1nnc(n1)-c1ccccc1
CCOc1cc(NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)ccc1OC c1ccc(cc1)[*:1] CCOc1cc(ccc1OC)NC(=O)[C@@H](C)n1nnc(n1)[*:1]
O=C(O/N=C/c1ccncc1)c1ccc2c(c1)OCCO2 c1cc(ccn1)[*:1] O=C(ON=C[*:1])c1ccc2OCCOc2c1
Cc1cnc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cn1 Cc1cnc(cn1)[*:1] Cc1c(NC(=O)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1cnc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cn1 c1ccc(cc1)[*:1] Cc1cnc(cn1)C(=O)Nc1c(C)n(C)n(c1=O)[*:1]
CC[C@@](C)(C(=O)Cc1ccsc1)N1CCOCC1 c1cc(cs1)[*:1] CC[C@@](C)(C(=O)C[*:1])N1CCOCC1
CC[C@@](C)(C(=O)Cc1ccsc1)N1CCOCC1 c1cc(cs1)C[*:1] CC[C@@](C)(C(=O)[*:1])N1CCOCC1
CC[C@@](C)(C(=O)Cc1ccsc1)N1CCOCC1 C1CN(CCO1)[*:1] CC[C@@](C)(C(=O)Cc1ccsc1)[*:1]
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)O[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 O=[N+]([O-])[*:1] Cc1cc(ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1)[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(C#N)ccc1C c1ccc(cc1)[*:1] CC(=O)N(CC[*:1])CC(=O)Nc1cc(C#N)ccc1C
CC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(C#N)ccc1C c1ccc(cc1)C[*:1] CC(=O)N(CC(=O)Nc1cc(C#N)ccc1C)C[*:1]
CC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(C#N)ccc1C c1ccc(cc1)CC[*:1] CC(=O)N(CC(=O)Nc1cc(C#N)ccc1C)[*:1]
C[C@@H]1C(=O)NCCN1C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 Fc1ccc(cc1)[*:1] C[C@@H]1C(=O)NCCN1C(=O)/C=C/c1ccc(s1)[*:1]
CC(C)CCOc1cccc(NC(=O)c2cnccn2)c1 CC(C)[*:1] O=C(Nc1cccc(c1)OCC[*:1])c1cnccn1
CC(C)CCOc1cccc(NC(=O)c2cnccn2)c1 c1cnc(cn1)[*:1] CC(C)CCOc1cccc(c1)NC(=O)[*:1]
CC(C)CCOc1cccc(NC(=O)c2cnccn2)c1 CC(C)CCO[*:1] O=C(Nc1cccc(c1)[*:1])c1cnccn1
CC(C)CCOc1cccc(NC(=O)c2cnccn2)c1 CC(C)C[*:1] O=C(Nc1cccc(c1)OC[*:1])c1cnccn1
CC(C)CCOc1cccc(NC(=O)c2cnccn2)c1 CC(C)CC[*:1] O=C(Nc1cccc(c1)O[*:1])c1cnccn1
CC(C)Cn1ncc(C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)c1C1CC1 CC(C)C[*:1] O=C(N[C@H]1CCC[C@H]2OCC[C@H]12)c1cnn(c1C1CC1)[*:1]
CC(C)Cn1ncc(C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)c1C1CC1 C1CC1[*:1] CC(C)Cn1ncc(C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)c1[*:1]
CC(C)Cn1ncc(C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)c1C1CC1 CC(C)[*:1] O=C(N[C@H]1CCC[C@H]2OCC[C@H]12)c1cnn(C[*:1])c1C1CC1
C[C@H](CCO)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 C1CC1[*:1] C[C@H](CCO)NC(=O)c1ccc(cc1)S(=O)(=O)N[*:1]
C[C@H](CCO)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 O=S(=O)(NC1CC1)[*:1] C[C@H](CCO)NC(=O)c1ccc(cc1)[*:1]
C[C@H](CCO)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 C[C@H](CCO)[*:1] O=C(N[*:1])c1ccc(cc1)S(=O)(=O)NC1CC1
C[C@H](CCO)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 OCC[*:1] C[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)NC1CC1)[*:1]
CCOC(=O)c1c(NC(=O)COc2cccc3cccnc23)sc2c1CCCC2 CCOC(=O)[*:1] O=C(COc1cccc2cccnc12)Nc1sc2CCCCc2c1[*:1]
Cc1ncc(C(=O)N(C)C)c(C2CCC(CNC(=O)c3ccccc3F)CC2)n1 Fc1ccccc1[*:1] Cc1ncc(C(=O)N(C)C)c(n1)C1CCC(CC1)CNC(=O)[*:1]
Cc1ncc(C(=O)N(C)C)c(C2CCC(CNC(=O)c3ccccc3F)CC2)n1 CN(C)C(=O)[*:1] Cc1ncc(c(n1)C1CCC(CC1)CNC(=O)c1ccccc1F)[*:1]
CCC(=O)Nc1cccc(NC(=O)CCCO)c1 CCC(=O)N[*:1] O=C(CCCO)Nc1cccc(c1)[*:1]
CCC(=O)Nc1cccc(NC(=O)CCCO)c1 OCCC[*:1] CCC(=O)Nc1cccc(c1)NC(=O)[*:1]
CCC(=O)Nc1cccc(NC(=O)CCCO)c1 OCC[*:1] CCC(=O)Nc1cccc(c1)NC(=O)C[*:1]
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCN(C(C)C)CC1 CC(C)[*:1] Cc1nc([nH]c(=O)c1C(=O)N1CCN(CC1)[*:1])C(C)(C)C
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCN(C(C)C)CC1 CC(C)(C)[*:1] Cc1nc([nH]c(=O)c1C(=O)N1CCN(CC1)C(C)C)[*:1]
CC(C)(O)COc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 CC(C)(O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])C1(CCOCC1)c1cccc(F)c1
CC(C)(O)COc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 Fc1cccc(c1)[*:1] CC(C)(O)COc1ccc(cc1)NC(=O)C1(CCOCC1)[*:1]
CC(C)(O)COc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 CC(C)(O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])C1(CCOCC1)c1cccc(F)c1
CC(C)(O)COc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 CC(C)(O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])C1(CCOCC1)c1cccc(F)c1
CCS(=O)(=O)c1ccc(NCc2nc(C)no2)cc1 CCS(=O)(=O)[*:1] Cc1noc(CNc2ccc(cc2)[*:1])n1
CCS(=O)(=O)c1ccc(NCc2nc(C)no2)cc1 Cc1noc(n1)[*:1] CCS(=O)(=O)c1ccc(cc1)NC[*:1]
O=C(c1coc(-c2ccccc2)n1)N1CCC(OCc2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(c1coc(n1)[*:1])N1CCC(CC1)OCc1ccccc1F
O=C(c1coc(-c2ccccc2)n1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1C[*:1] O=C(c1coc(n1)-c1ccccc1)N1CCC(CC1)O[*:1]
O=C(c1coc(-c2ccccc2)n1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(c1coc(n1)-c1ccccc1)N1CCC(CC1)OC[*:1]
O=C(c1coc(-c2ccccc2)n1)N1CCC(OCc2ccccc2F)CC1 Fc1ccccc1CO[*:1] O=C(c1coc(n1)-c1ccccc1)N1CCC(CC1)[*:1]
COc1cc2c(cc1NC(=O)c1ccc3c(c1)OCO3)oc1ccccc12 c1cc2OCOc2cc1[*:1] COc1cc2c(cc1NC(=O)[*:1])oc1ccccc12
Clc1cc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)cc2c1OCCO2 C1CN(CCO1)[*:1] Clc1cc(cc2OCCOc12)CSc1nnc(n1Cc1ccccc1)[*:1]
Clc1cc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)cc2c1OCCO2 c1ccc(cc1)C[*:1] Clc1cc(cc2OCCOc12)CSc1nnc(N2CCOCC2)n1[*:1]
Clc1cc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)cc2c1OCCO2 c1ccc(cc1)[*:1] Clc1cc(cc2OCCOc12)CSc1nnc(N2CCOCC2)n1C[*:1]
CC[C@H](C)NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 CC[C@H](C)NC(=O)C[*:1] Cc1ccc(cc1C)-c1cc2c(nccn2n1)S[*:1]
CC[C@H](C)NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 CC[C@H](C)[*:1] Cc1ccc(cc1C)-c1cc2c(nccn2n1)SCC(=O)N[*:1]
CC[C@H](C)NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 CC[C@H](C)NC(=O)[*:1] Cc1ccc(cc1C)-c1cc2c(nccn2n1)SC[*:1]
CC[C@H](C)NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 Cc1ccc(cc1C)[*:1] CC[C@H](C)NC(=O)CSc1nccn2nc(cc12)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1csnn1 CC(C)[*:1] C[C@@H]1CC[C@@H]([C@@H](C1)NC(=O)c1csnn1)[*:1]
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1csnn1 c1snnc1[*:1] CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[*:1]
CCc1nn2c(=O)cc(COC(=O)CSc3ccc(C)cc3)nc2s1 Cc1ccc(cc1)[*:1] CCc1nn2c(=O)cc(COC(=O)CS[*:1])nc2s1
CCc1nn2c(=O)cc(COC(=O)CSc3ccc(C)cc3)nc2s1 Cc1ccc(cc1)S[*:1] CCc1nn2c(=O)cc(COC(=O)C[*:1])nc2s1
CNC(=O)[C@@H](CC(C)C)NC(=O)c1sc(-c2ccccn2)nc1C CC(C)C[*:1] CNC(=O)[C@@H](NC(=O)c1sc(nc1C)-c1ccccn1)[*:1]
CNC(=O)[C@@H](CC(C)C)NC(=O)c1sc(-c2ccccn2)nc1C CNC(=O)[*:1] Cc1nc(sc1C(=O)N[C@H](CC(C)C)[*:1])-c1ccccn1
CNC(=O)[C@@H](CC(C)C)NC(=O)c1sc(-c2ccccn2)nc1C CC(C)[*:1] CNC(=O)[C@@H](C[*:1])NC(=O)c1sc(nc1C)-c1ccccn1
CNC(=O)[C@@H](CC(C)C)NC(=O)c1sc(-c2ccccn2)nc1C c1ccc(nc1)[*:1] CNC(=O)[C@@H](CC(C)C)NC(=O)c1sc(nc1C)[*:1]
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](C(N)=O)C1 NC(=O)[*:1] C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](C1)[*:1]
O=C(c1ccc(Cl)o1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 Clc1ccc(o1)[*:1] O=C(N1CCO[C@H](C1)c1ccc(F)c(Cl)c1)[*:1]
CNC(=O)C[C@@H](Nc1ccc(Cl)c(Br)c1)C(=O)OC COC(=O)[*:1] CNC(=O)C[C@@H](Nc1ccc(Cl)c(Br)c1)[*:1]
CNC(=O)C[C@@H](Nc1ccc(Cl)c(Br)c1)C(=O)OC CNC(=O)[*:1] COC(=O)[C@@H](C[*:1])Nc1ccc(Cl)c(Br)c1
CNC(=O)C[C@@H](Nc1ccc(Cl)c(Br)c1)C(=O)OC CNC(=O)C[*:1] COC(=O)[C@H](Nc1ccc(Cl)c(Br)c1)[*:1]
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] Cc1cc(cc(c1)[*:1])[N+](=O)[O-]
Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)[C@H]1N=NC2=C1CCC2 c1cc(ccn1)[*:1] Cc1nc(ncc1[C@H](C)NC(=O)[C@H]1N=NC2CCCC=21)[*:1]
CO[C@@H](CNS(=O)(=O)N1C[C@H](C)O[C@H](C)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNS(=O)(=O)N1C[C@H](C)O[C@H](C)C1)[*:1]
Cc1cc(C(=O)NCCOc2ccc(F)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ccc1[*:1])C(=O)NCCOc1ccc(F)cc1
Cc1cc(C(=O)NCCOc2ccc(F)cc2)ccc1[N+](=O)[O-] Fc1ccc(cc1)[*:1] Cc1cc(ccc1[N+](=O)[O-])C(=O)NCCO[*:1]
Cc1cc(O[C@H](C)C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl Cc1cc(cc(C)c1Cl)[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H](C)O[*:1])[C@@H]2CCS(=O)(=O)C2)o1
Cc1cc(O[C@H](C)C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl C[C@H]1C[C@H]1[*:1] Cc1cc(cc(C)c1Cl)O[C@H](C)C(=O)N(Cc1ccc(o1)[*:1])[C@@H]1CCS(=O)(=O)C1
Cc1cc(O[C@H](C)C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl Cc1cc(cc(C)c1Cl)O[*:1] C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H](C)[*:1])[C@@H]2CCS(=O)(=O)C2)o1
Cc1cc(O[C@H](C)C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl O=S1(=O)CC[C@H](C1)[*:1] Cc1cc(cc(C)c1Cl)O[C@H](C)C(=O)N(Cc1ccc(o1)[C@@H]1C[C@@H]1C)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2c(C)cccc2C(C)C)C1 CCOC[*:1] Cc1cccc(c1NC(=O)N1CCC[C@@H](C1)[*:1])C(C)C
CCOC[C@H]1CCCN(C(=O)Nc2c(C)cccc2C(C)C)C1 CC(C)[*:1] CCOC[C@H]1CCCN(C1)C(=O)Nc1c(C)cccc1[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2c(C)cccc2C(C)C)C1 CCO[*:1] Cc1cccc(c1NC(=O)N1CCC[C@@H](C1)C[*:1])C(C)C
COc1ccc(CSc2nc(C)cc(N3CCOCC3)n2)cc1 C1CN(CCO1)[*:1] COc1ccc(cc1)CSc1nc(C)cc(n1)[*:1]
CC(C)C[C@H]1COCCN1C(=O)/C=C/c1cnc(C(C)(C)C)s1 CC(C)(C)[*:1] CC(C)C[C@H]1COCCN1C(=O)/C=C/c1cnc(s1)[*:1]
CC(C)C[C@H]1COCCN1C(=O)/C=C/c1cnc(C(C)(C)C)s1 CC(C)[*:1] CC(C)(C)c1ncc(/C=C/C(=O)N2CCOC[C@@H]2C[*:1])s1
CC(C)C[C@H]1COCCN1C(=O)/C=C/c1cnc(C(C)(C)C)s1 CC(C)C[*:1] CC(C)(C)c1ncc(/C=C/C(=O)N2CCOC[C@@H]2[*:1])s1
C[NH+]1CCN(Cc2ccccc2C(=O)c2ccc(F)cc2Cl)CC1 Fc1ccc(c(Cl)c1)[*:1] C[NH+]1CCN(CC1)Cc1ccccc1C(=O)[*:1]
Cc1ccc(F)cc1S(=O)(=O)NCCC(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(F)cc1S(=O)(=O)NCC[*:1]
Cc1ccc(F)cc1S(=O)(=O)NCCC(=O)N(C)C CN(C)C(=O)C[*:1] Cc1ccc(F)cc1S(=O)(=O)NC[*:1]
Cc1nn(CC(C)C)c(Cl)c1C(=O)OCc1cn2cc(Cl)ccc2n1 CC(C)C[*:1] Cc1nn(c(Cl)c1C(=O)OCc1cn2cc(Cl)ccc2n1)[*:1]
Cc1nn(CC(C)C)c(Cl)c1C(=O)OCc1cn2cc(Cl)ccc2n1 CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1C(=O)OCc1cn2cc(Cl)ccc2n1
O=[N+]([O-])c1cc(F)ccc1OC[C@H]1Cc2ccccc2S1 O=[N+]([O-])[*:1] Fc1ccc(OC[C@H]2Cc3ccccc3S2)c(c1)[*:1]
O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] O=C(CNC(=O)c1ccc2OCOc2c1)N[*:1]
CCc1cccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c1 C1CCC(C1)[*:1] CCc1cccc(c1)S(=O)(=O)NC1CC[NH+](CC1)[*:1]
COCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12 COC[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2nc(cc(C(=O)NC[*:1])c2c1)-c1ccccn1
COCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12 COCC[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2nc(cc(C(=O)N[*:1])c2c1)-c1ccccn1
COCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12 c1ccc(nc1)[*:1] COCCNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCC(C)CC1)[*:1]
COCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12 COCCNC(=O)[*:1] CC1CCN(CC1)S(=O)(=O)c1ccc2nc(cc(c2c1)[*:1])-c1ccccn1
COCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12 CC1CCN(CC1)S(=O)(=O)[*:1] COCCNC(=O)c1cc(nc2ccc(cc12)[*:1])-c1ccccn1
CCC(CC)(CNC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccccc1 c1ccc(cc1)[*:1] CCC(CC)(CNC(=O)[C@H]1CCCN(C1)C(N)=O)[*:1]
CCC[NH2+][C@@H](Cc1ncccc1C)c1cccc(F)c1 CCC[*:1] Cc1cccnc1C[C@H]([NH2+][*:1])c1cccc(F)c1
Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] c1csc(c1)[*:1] Cn1cnnc1Sc1ccc(cc1[N+](=O)[O-])C(=O)Nc1nc(cs1)[*:1]
Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cn1cnnc1Sc1ccc(cc1[*:1])C(=O)Nc1nc(cs1)-c1cccs1
Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] Cn1cnnc1S[*:1] O=C(Nc1nc(cs1)-c1cccs1)c1ccc(c(c1)[N+](=O)[O-])[*:1]
Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1[N+](=O)[O-] Cn1cnnc1[*:1] O=C(Nc1nc(cs1)-c1cccs1)c1ccc(S[*:1])c(c1)[N+](=O)[O-]
COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)N2CCN(c3ccccc3)CC2)cc1OC Clc1ccccc1[*:1] COc1cc(NC(=O)[*:1])c(cc1OC)C(=O)N1CCN(CC1)c1ccccc1
COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)N2CCN(c3ccccc3)CC2)cc1OC c1ccc(cc1)[*:1] COc1cc(NC(=O)c2ccccc2Cl)c(cc1OC)C(=O)N1CCN(CC1)[*:1]
COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)N2CCN(c3ccccc3)CC2)cc1OC O=C(N[*:1])c1ccccc1Cl COc1cc(C(=O)N2CCN(CC2)c2ccccc2)c(cc1OC)[*:1]
COc1cc2oc(=O)ccc2cc1[C@H](OC)[C@@H](O)C(C)(C)O CC(C)(O)[*:1] COc1cc2oc(=O)ccc2cc1[C@H](OC)[C@@H](O)[*:1]
COc1cc2oc(=O)ccc2cc1[C@H](OC)[C@@H](O)C(C)(C)O CC(C)(O)[C@H](O)[*:1] COc1cc2oc(=O)ccc2cc1[C@H](OC)[*:1]
Cc1nc(COc2cccc(/C=C/C(=O)N3CCC3)c2)cs1 O=C(N1CCC1)[*:1] Cc1nc(cs1)COc1cccc(C=C[*:1])c1
Cc1nc(COc2cccc(/C=C/C(=O)N3CCC3)c2)cs1 Cc1nc(cs1)C[*:1] O=C(/C=C/c1cccc(c1)O[*:1])N1CCC1
Cc1nc(COc2cccc(/C=C/C(=O)N3CCC3)c2)cs1 Cc1nc(cs1)[*:1] O=C(/C=C/c1cccc(c1)OC[*:1])N1CCC1
C[NH+](C)CCNS(=O)(=O)C1=CN=C([C@H]2NN[C@H](c3ccc(F)cc3)O2)C1 Fc1ccc(cc1)[*:1] C[NH+](C)CCNS(=O)(=O)C1=CN=C(C1)[C@H]1NN[C@H](O1)[*:1]
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 O=C(N[*:1])c1ccncc1 COc1nccnc1[N-]S(=O)(=O)c1ccc(cc1)[*:1]
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 c1cc(ccn1)[*:1] COc1nccnc1[N-]S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
C[C@H]1C[C@@H](CC(=O)N2CCn3c(nnc3-c3ccccc3)C2)CC(C)(C)C1 c1ccc(cc1)[*:1] C[C@H]1C[C@@H](CC(=O)N2CCn3c(C2)nnc3[*:1])CC(C)(C)C1
Cc1ccc(-n2nnc(C(=O)N[C@H]3CC[C@@H]([NH+](C)C)C3)c2C)cc1 Cc1ccc(cc1)[*:1] Cc1c(nnn1[*:1])C(=O)N[C@H]1CC[C@H](C1)[NH+](C)C
Cc1noc(C)c1C[C@@H](C)NC(=O)N(C)CCc1cccc2ccccc12 Cc1noc(C)c1C[*:1] C[C@@H](NC(=O)N(C)CCc1cccc2ccccc12)[*:1]
Cc1noc(C)c1C[C@@H](C)NC(=O)N(C)CCc1cccc2ccccc12 Cc1noc(C)c1[*:1] C[C@H](C[*:1])NC(=O)N(C)CCc1cccc2ccccc12
Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)s1 C1CO[C@H](C1)[*:1] Cc1ccc(s1)S(=O)(=O)[N-]c1ccc(cc1)OC[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)s1 Cc1ccc(s1)[*:1] O=S(=O)([N-]c1ccc(cc1)OC[C@H]1CCCO1)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)s1 C1CO[C@H](C1)CO[*:1] Cc1ccc(s1)S(=O)(=O)[N-]c1ccc(cc1)[*:1]
Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)s1 C1CO[C@H](C1)C[*:1] Cc1ccc(s1)S(=O)(=O)[N-]c1ccc(cc1)O[*:1]
C[C@H](NC(=O)C[NH+]1CCCC1)c1ccc(NC(=O)C2CC2)cc1 C1CC1[*:1] C[C@H](NC(=O)C[NH+]1CCCC1)c1ccc(cc1)NC(=O)[*:1]
C[C@H](NC(=O)C[NH+]1CCCC1)c1ccc(NC(=O)C2CC2)cc1 O=C(N[*:1])C1CC1 C[C@H](NC(=O)C[NH+]1CCCC1)c1ccc(cc1)[*:1]
CO[C@@H](C)C(=O)N1CCOc2ccccc2C1 CO[C@@H](C)[*:1] O=C(N1CCOc2ccccc2C1)[*:1]
CCOC[C@@H](C)NC(=O)c1ccc(C)cc1NC CCOC[*:1] CNc1cc(C)ccc1C(=O)N[C@H](C)[*:1]
CCOC[C@@H](C)NC(=O)c1ccc(C)cc1NC CCOC[C@@H](C)[*:1] CNc1cc(C)ccc1C(=O)N[*:1]
CCOC[C@@H](C)NC(=O)c1ccc(C)cc1NC CCO[*:1] CNc1cc(C)ccc1C(=O)N[C@H](C)C[*:1]
O=C1C[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C1C[C@@H](C(=O)N1[*:1])N1CC[NH+](CC1)Cc1ccc2OCOc2c1
O=C1C[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(Br)cc1 c1cc2OCOc2cc1[*:1] O=C1C[C@@H](C(=O)N1c1ccc(Br)cc1)N1CC[NH+](CC1)C[*:1]
O=C1C[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(Br)cc1 c1cc2OCOc2cc1C[*:1] O=C1C[C@@H](C(=O)N1c1ccc(Br)cc1)N1CC[NH+](CC1)[*:1]
O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 Fc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)N1CCC[C@H](C1)c1nc(no1)[*:1]
O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 Fc1ccc(cc1)[*:1] O=C(N[*:1])N1CCC[C@H](C1)c1nc(no1)-c1ccc(F)cc1
CCN(Cc1cccs1)C(=O)N[C@@H](C)CS(C)(=O)=O c1csc(c1)[*:1] CCN(C[*:1])C(=O)N[C@@H](C)CS(C)(=O)=O
CCN(Cc1cccs1)C(=O)N[C@@H](C)CS(C)(=O)=O CS(=O)(=O)C[*:1] CCN(Cc1cccs1)C(=O)N[C@@H](C)[*:1]
CCN(Cc1cccs1)C(=O)N[C@@H](C)CS(C)(=O)=O CS(=O)(=O)[*:1] CCN(Cc1cccs1)C(=O)N[C@@H](C)C[*:1]
CCN(Cc1cccs1)C(=O)N[C@@H](C)CS(C)(=O)=O c1csc(c1)C[*:1] CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)[*:1]
CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(F)c(NC(C)=O)c2)C1(CC)CC CC(=O)N[*:1] CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(F)c(c2)[*:1])C1(CC)CC
CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(F)c(NC(C)=O)c2)C1(CC)CC CCO[*:1] CCC1(CC)[C@H](C[C@H]1[*:1])N(C)C(=O)c1ccc(F)c(c1)NC(C)=O
CCOC(=O)[C@H](C)c1nc2cnccc2n1CC CCOC(=O)[*:1] CCn1c(nc2cnccc21)[C@@H](C)[*:1]
Cn1cc(CNC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)cn1 Cn1cc(cn1)C[*:1] O=C(N[*:1])c1cc(nc2ccc(Br)cc12)-c1ccccc1
Cn1cc(CNC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)cn1 Cn1cc(cn1)[*:1] O=C(NC[*:1])c1cc(nc2ccc(Br)cc12)-c1ccccc1
Cn1cc(CNC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)CNC(=O)c1cc(nc2ccc(Br)cc12)[*:1]
O=C([O-])c1cc2ncc(Cl)cn2n1 O=C([O-])[*:1] Clc1cnc2cc(nn2c1)[*:1]
CCOc1ccccc1NC(=O)NCc1ccccc1 c1ccc(cc1)[*:1] CCOc1ccccc1NC(=O)NC[*:1]
CCOc1ccccc1NC(=O)NCc1ccccc1 CCO[*:1] O=C(NCc1ccccc1)Nc1ccccc1[*:1]
Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NC(C)C CC(C)[*:1] Cc1nc(ncc1C(=O)N[*:1])N1CC[NH+](C)CC1
Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NC(C)C CC(C)NC(=O)[*:1] Cc1nc(ncc1[*:1])N1CC[NH+](C)CC1
Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[NH+](CCn1cncn1)C2 Clc1ccc(nc1)[*:1] Oc1cc(cc2C[NH+](CCOc12)CCn1cncn1)[*:1]
Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[NH+](CCn1cncn1)C2 c1ncn(C[*:1])n1 Oc1cc(cc2C[NH+](CCOc12)C[*:1])-c1ccc(Cl)cn1
Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[NH+](CCn1cncn1)C2 c1ncn(n1)[*:1] Oc1cc(cc2C[NH+](CCOc12)CC[*:1])-c1ccc(Cl)cn1
Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[NH+](CCn1cncn1)C2 c1ncn(CC[*:1])n1 Oc1cc(cc2C[NH+](CCOc12)[*:1])-c1ccc(Cl)cn1
CC(=O)N1CCN([C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 FC(F)(F)[*:1] CC(=O)N1CCN(CC1)[C@H](C)C(=O)N1CC(=O)Nc2cc(ccc21)[*:1]
CC(=O)N1CCN([C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 CC(=O)N1CCN(CC1)[*:1] C[C@H](C(=O)N1CC(=O)Nc2cc(ccc21)C(F)(F)F)[*:1]
C[C@H](OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCc2ccccc21 O=[N+]([O-])[*:1] C[C@H](OC(=O)c1cc(ccc1[*:1])N1CCOCC1)C(=O)N[C@@H]1CCCc2ccccc21
C[C@H](OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCc2ccccc21 c1ccc2c(c1)CCC[C@H]2[*:1] C[C@H](OC(=O)c1cc(ccc1[N+](=O)[O-])N1CCOCC1)C(=O)N[*:1]
C[C@H](OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCc2ccccc21 C1CN(CCO1)[*:1] C[C@H](OC(=O)c1cc(ccc1[N+](=O)[O-])[*:1])C(=O)N[C@@H]1CCCc2ccccc21
O=C(Cc1noc2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 Clc1cccc(c1)[*:1] O=C(Cc1noc2ccccc12)N1CCN(CC1)[*:1]
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccco1 c1coc(c1)[*:1] C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[*:1]
CSC[C@H](C)N(C)C(=O)NCCC(=O)N(C)C CSC[*:1] C[C@H](N(C)C(=O)NCCC(=O)N(C)C)[*:1]
CSC[C@H](C)N(C)C(=O)NCCC(=O)N(C)C CN(C)C(=O)[*:1] CSC[C@H](C)N(C)C(=O)NCC[*:1]
Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H]1CCCNC1=O c1ccc(cc1)C[*:1] Cc1nn(c(C)c1C(=O)N[C@H]1CCCNC1=O)[*:1]
Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H]1CCCNC1=O c1ccc(cc1)[*:1] Cc1nn(C[*:1])c(C)c1C(=O)N[C@H]1CCCNC1=O
O=C(NCc1ccccc1)N1CCN(c2ccc(-c3noc(C4CCCC4)n3)c[nH+]2)CC1 c1ccc(cc1)C[*:1] O=C(N[*:1])N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C1CCCC1
O=C(NCc1ccccc1)N1CCN(c2ccc(-c3noc(C4CCCC4)n3)c[nH+]2)CC1 C1CCC(C1)[*:1] O=C(NCc1ccccc1)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
O=C(NCc1ccccc1)N1CCN(c2ccc(-c3noc(C4CCCC4)n3)c[nH+]2)CC1 C1CCC(C1)c1nc(no1)[*:1] O=C(NCc1ccccc1)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
O=C(NCc1ccccc1)N1CCN(c2ccc(-c3noc(C4CCCC4)n3)c[nH+]2)CC1 c1ccc(cc1)[*:1] O=C(NC[*:1])N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)C1CCCC1
O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCCC1 c1ccc(cc1)[*:1] O=C(NCC[*:1])c1ccccc1NC(=O)C1CCCC1
O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCCC1 C1CCC(C1)[*:1] O=C(NCCc1ccccc1)c1ccccc1NC(=O)[*:1]
O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCCC1 c1ccc(cc1)CC[*:1] O=C(N[*:1])c1ccccc1NC(=O)C1CCCC1
O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCCC1 c1ccc(cc1)C[*:1] O=C(NC[*:1])c1ccccc1NC(=O)C1CCCC1
O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCCC1 O=C(N[*:1])C1CCCC1 O=C(NCCc1ccccc1)c1ccccc1[*:1]
Cc1cccc(OC[C@H](O)CNC(=O)c2sccc2-c2ccccc2)c1 Cc1cccc(c1)O[*:1] O=C(NC[C@@H](O)C[*:1])c1sccc1-c1ccccc1
Cc1cccc(OC[C@H](O)CNC(=O)c2sccc2-c2ccccc2)c1 Cc1cccc(c1)[*:1] O=C(NC[C@@H](O)CO[*:1])c1sccc1-c1ccccc1
Cc1cccc(OC[C@H](O)CNC(=O)c2sccc2-c2ccccc2)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)OC[C@H](O)CNC(=O)c1sccc1[*:1]
N#Cc1ccccc1OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 N#Cc1ccccc1[*:1] NC(=O)c1c(NC(=O)CO[*:1])sc2CCCCc21
N#Cc1ccccc1OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 NC(=O)[*:1] N#Cc1ccccc1OCC(=O)Nc1sc2CCCCc2c1[*:1]
COc1ccccc1N1CCN(C(=O)C(C)(C)C)CC1 CC(C)(C)[*:1] COc1ccccc1N1CCN(CC1)C(=O)[*:1]
Cc1cccc(N2C(=O)S[C@@H](Nc3c(Cl)cccc3Cl)C2=O)c1 Cc1cccc(c1)[*:1] O=C1S[C@@H](Nc2c(Cl)cccc2Cl)C(=O)N1[*:1]
COc1cc(F)c(NC(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)cc1OC c1ccc(cc1)[*:1] COc1cc(F)c(cc1OC)NC(=O)N[C@@H](c1n[nH]c(C)n1)[*:1]
COc1cc(F)c(NC(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)cc1OC Cc1nc(n[nH]1)[*:1] COc1cc(F)c(cc1OC)NC(=O)N[C@@H](c1ccccc1)[*:1]
COc1ccccc1Nc1ncc(-c2nc3ccccc3o2)cn1 COc1ccccc1[*:1] c1ccc2oc(nc2c1)-c1cnc(nc1)N[*:1]
CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc(Br)c1 O[C@]1(CCOC1)[*:1] CC[C@@H]([NH2+]C[*:1])c1cccc(Br)c1
c1ccc(C[C@H]2CCC[C@H]2[NH2+]C[C@@H]2C[NH+]3CCN2CC3)cc1 c1ccc(cc1)C[*:1] C1C[C@@H]([NH2+]C[C@@H]2C[NH+]3CCN2CC3)[C@H](C1)[*:1]
c1ccc(C[C@H]2CCC[C@H]2[NH2+]C[C@@H]2C[NH+]3CCN2CC3)cc1 c1ccc(cc1)[*:1] C1C[C@H](C[*:1])[C@@H](C1)[NH2+]C[C@@H]1C[NH+]2CCN1CC2
Cc1ccc(Oc2ccc(NC(=O)N[C@H]3[C@@H](CO)[C@H]4CC[C@@H]3C4)cc2)nn1 Cc1ccc(nn1)O[*:1] O=C(Nc1ccc(cc1)[*:1])N[C@H]1[C@@H](CO)[C@H]2CC[C@@H]1C2
Cc1ccc(Oc2ccc(NC(=O)N[C@H]3[C@@H](CO)[C@H]4CC[C@@H]3C4)cc2)nn1 Cc1ccc(nn1)[*:1] O=C(Nc1ccc(cc1)O[*:1])N[C@H]1[C@@H](CO)[C@H]2CC[C@@H]1C2
Cc1cc(S(=O)(=O)Oc2ccc(C#N)cc2Cl)ccc1OC(C)C CC(C)[*:1] Cc1cc(ccc1O[*:1])S(=O)(=O)Oc1ccc(C#N)cc1Cl
Cc1cc(S(=O)(=O)Oc2ccc(C#N)cc2Cl)ccc1OC(C)C CC(C)O[*:1] Cc1cc(ccc1[*:1])S(=O)(=O)Oc1ccc(C#N)cc1Cl
Cc1cc(=O)n(C)cc1NC(=O)c1cnn(-c2ccccc2Cl)c1 Clc1ccccc1[*:1] Cc1cc(=O)n(C)cc1NC(=O)c1cnn(c1)[*:1]
COC(=O)N1CC[C@H](NCc2cnc(-c3cccs3)s2)C1 c1csc(c1)[*:1] COC(=O)N1CC[C@@H](C1)NCc1cnc(s1)[*:1]
CC[NH+]1CCN([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 c1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)[C@H](C)C(=O)Nc1c(C)nn(c1C)[*:1]
Cc1cccc([C@@H](C)CNC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1 Cc1cccc(c1)[*:1] C[C@@H](CNC(=O)NC[C@@H]1CCCN(C1)c1ncccn1)[*:1]
Cc1cccc([C@@H](C)CNC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1 Cc1cccc(c1)[C@@H](C)[*:1] O=C(NC[C@@H]1CCCN(C1)c1ncccn1)NC[*:1]
Cc1cccc([C@@H](C)CNC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1 c1cnc(nc1)[*:1] Cc1cccc(c1)[C@@H](C)CNC(=O)NC[C@@H]1CCCN(C1)[*:1]
N#Cc1ccc(C(=O)NCC(=O)Nc2cnn(-c3ccccc3F)c2)cc1 N#Cc1ccc(cc1)[*:1] O=C(CNC(=O)[*:1])Nc1cnn(c1)-c1ccccc1F
N#Cc1ccc(C(=O)NCC(=O)Nc2cnn(-c3ccccc3F)c2)cc1 Fc1ccccc1[*:1] N#Cc1ccc(cc1)C(=O)NCC(=O)Nc1cnn(c1)[*:1]
CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccnc3)CCO2)n1 c1cncc(c1)[*:1] CC(C)c1n[nH]c(n1)[C@@H]1CN(CCO1)C(=O)[C@H]1C[C@H]1[*:1]
CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccnc3)CCO2)n1 CC(C)c1n[nH]c(n1)[*:1] O=C([C@H]1C[C@@H]1c1cccnc1)N1CCO[C@@H](C1)[*:1]
CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccnc3)CCO2)n1 CC(C)[*:1] O=C([C@H]1C[C@@H]1c1cccnc1)N1CCO[C@@H](C1)c1nc(n[nH]1)[*:1]
CN(CCOCC1CC1)c1nc(CCl)cc2ccccc12 C(C[*:1])OCC1CC1 CN(c1nc(cc2ccccc12)CCl)[*:1]
CN(CCOCC1CC1)c1nc(CCl)cc2ccccc12 C1CC1C[*:1] CN(CCO[*:1])c1nc(cc2ccccc12)CCl
CN(CCOCC1CC1)c1nc(CCl)cc2ccccc12 C1CC1CO[*:1] CN(CC[*:1])c1nc(cc2ccccc12)CCl
CN(CCOCC1CC1)c1nc(CCl)cc2ccccc12 C1CC1COC[*:1] CN(C[*:1])c1nc(cc2ccccc12)CCl
CN(CCOCC1CC1)c1nc(CCl)cc2ccccc12 C1CC1[*:1] CN(CCOC[*:1])c1nc(cc2ccccc12)CCl
CCn1cc(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cn1 CCn1cc(cn1)[*:1] Cc1nc(sc1[C@H](C)N(C)C(=O)[*:1])C(C)C
CCn1cc(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cn1 CC(C)[*:1] CCn1cc(cn1)C(=O)N(C)[C@@H](C)c1sc(nc1C)[*:1]
C[NH2+][C@@H](Cc1ccsc1)c1c(F)cc(Br)cc1F c1cc(cs1)[*:1] C[NH2+][C@@H](C[*:1])c1c(F)cc(Br)cc1F
C[NH2+][C@@H](Cc1ccsc1)c1c(F)cc(Br)cc1F c1cc(cs1)C[*:1] C[NH2+][C@@H](c1c(F)cc(Br)cc1F)[*:1]
Cc1cc(NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)n2ncnc2n1 CN(C)C(=O)[*:1] Cc1cc(NC[C@@H]2CC[C@@H](O2)[*:1])n2ncnc2n1
COc1ccc([C@@H](NC(=O)c2oc(C)nc2C)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)c1oc(C)nc1C)[*:1]
COc1ccc([C@@H](NC(=O)c2oc(C)nc2C)c2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] Cc1nc(C)c(o1)C(=O)N[C@@H](c1ccc(F)cc1)[*:1]
COc1ccc([C@@H](NC(=O)c2oc(C)nc2C)c2ccc(F)cc2)cc1 Cc1nc(C)c(o1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)[*:1])c1ccc(F)cc1
CCCCn1nnnc1C[NH+]1CCC(N2CCN(CC)C2=O)CC1 CCCC[*:1] CCN1CCN(C1=O)C1CC[NH+](CC1)Cc1nnnn1[*:1]
CCCCn1nnnc1C[NH+]1CCC(N2CCN(CC)C2=O)CC1 CCN1CCN(C1=O)[*:1] CCCCn1nnnc1C[NH+]1CCC(CC1)[*:1]
CCCCn1nnnc1C[NH+]1CCC(N2CCN(CC)C2=O)CC1 CCC[*:1] CCN1CCN(C1=O)C1CC[NH+](CC1)Cc1nnnn1C[*:1]
CO[C@H](C)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 CO[C@H](C)[*:1] O=C(c1ccc(cc1Cl)NC(=O)[*:1])N1CCOCC1
CO[C@H](C)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 CO[C@H](C)C(=O)N[*:1] O=C(c1ccc(cc1Cl)[*:1])N1CCOCC1
COCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1Cl COCC[*:1] O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1[*:1]
COCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1Cl COC[*:1] O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1C[*:1]
COCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1Cl Clc1ccccc1[*:1] COCCN1C(=O)c2ccccc2N[C@H]1[*:1]
CC(C)COC(=O)N1CCN(Cc2cnc[nH]2)CC1 c1ncc(C[*:1])[nH]1 CC(C)COC(=O)N1CCN(CC1)[*:1]
CC(C)COC(=O)N1CCN(Cc2cnc[nH]2)CC1 CC(C)[*:1] O=C(OC[*:1])N1CCN(CC1)Cc1cnc[nH]1
CC(C)COC(=O)N1CCN(Cc2cnc[nH]2)CC1 CC(C)C[*:1] O=C(O[*:1])N1CCN(CC1)Cc1cnc[nH]1
CC(C)COC(=O)N1CCN(Cc2cnc[nH]2)CC1 c1ncc([nH]1)[*:1] CC(C)COC(=O)N1CCN(CC1)C[*:1]
CN(Cc1nnc(C2CC2)n1C)C(=O)CSc1ccccc1F C1CC1[*:1] CN(Cc1nnc(n1C)[*:1])C(=O)CSc1ccccc1F
CN(Cc1nnc(C2CC2)n1C)C(=O)CSc1ccccc1F Fc1ccccc1[*:1] CN(Cc1nnc(C2CC2)n1C)C(=O)CS[*:1]
CCc1ccc(CNc2ccc(Cl)c(C(=O)[O-])c2)cc1 O=C([O-])[*:1] CCc1ccc(cc1)CNc1ccc(Cl)c(c1)[*:1]
O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1cccc(Br)c1 c1ccc(cc1)[*:1] O=C(CN1C(=O)N[C@H](CC[*:1])C1=O)Nc1cccc(Br)c1
O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1cccc(Br)c1 c1ccc(cc1)C[*:1] O=C(CN1C(=O)N[C@H](C[*:1])C1=O)Nc1cccc(Br)c1
O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1cccc(Br)c1 c1ccc(cc1)CC[*:1] O=C(CN1C(=O)N[C@H](C1=O)[*:1])Nc1cccc(Br)c1
O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)N[*:1]
CC(C)OCCCNC(=O)NNC(=O)c1ccc(Cl)cc1 CC(C)OC[*:1] O=C(NCC[*:1])NNC(=O)c1ccc(Cl)cc1
CC(C)OCCCNC(=O)NNC(=O)c1ccc(Cl)cc1 CC(C)O[*:1] O=C(NCCC[*:1])NNC(=O)c1ccc(Cl)cc1
CC(C)OCCCNC(=O)NNC(=O)c1ccc(Cl)cc1 CC(C)OCCC[*:1] O=C(NNC(=O)c1ccc(Cl)cc1)N[*:1]
CC(C)OCCCNC(=O)NNC(=O)c1ccc(Cl)cc1 CC(C)OCC[*:1] O=C(NC[*:1])NNC(=O)c1ccc(Cl)cc1
CC(C)OCCCNC(=O)NNC(=O)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] CC(C)OCCCNC(=O)NNC(=O)[*:1]
CC(C)OCCCNC(=O)NNC(=O)c1ccc(Cl)cc1 CC(C)[*:1] O=C(NCCCO[*:1])NNC(=O)c1ccc(Cl)cc1
c1ccc(-n2nnnc2N2CCC(c3nc4ccccc4o3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc2oc(nc2c1)C1CCN(CC1)c1nnnn1[*:1]
CCOc1ccccc1NC(=O)N[C@@H]1CCCn2c(C)nnc21 CCO[*:1] Cc1nnc2[C@@H](CCCn12)NC(=O)Nc1ccccc1[*:1]
CC(=O)N1CCC(NC(=O)c2cccc(Nc3ncccn3)c2)CC1 c1cnc(nc1)[*:1] CC(=O)N1CCC(CC1)NC(=O)c1cccc(c1)N[*:1]
CC(=O)N1CCC(NC(=O)c2cccc(Nc3ncccn3)c2)CC1 c1cnc(nc1)N[*:1] CC(=O)N1CCC(CC1)NC(=O)c1cccc(c1)[*:1]
Cc1c(/N=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(/N=C/c2ccc(o2)-c2ccc(cc2)S(N)(=O)=O)c(=O)n(n1C)[*:1]
Cc1c(/N=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)c(=O)n(-c2ccccc2)n1C NS(=O)(=O)c1ccc(cc1)[*:1] Cc1c(/N=C/c2ccc(o2)[*:1])c(=O)n(-c2ccccc2)n1C
Cc1c(/N=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)c(=O)n(-c2ccccc2)n1C NS(=O)(=O)[*:1] Cc1c(/N=C/c2ccc(o2)-c2ccc(cc2)[*:1])c(=O)n(-c2ccccc2)n1C
c1nc(C[NH+]2CCC3(CCCCC3)CC2)c[nH]1 c1nc(c[nH]1)[*:1] C1CCC2(CC1)CC[NH+](CC2)C[*:1]
Cc1ccc(Cn2ccnc2SCC(=O)Nc2nnc(C)s2)cc1 Cc1ccc(cc1)C[*:1] Cc1nnc(NC(=O)CSc2nccn2[*:1])s1
Cc1ccc(Cn2ccnc2SCC(=O)Nc2nnc(C)s2)cc1 Cc1nnc(s1)[*:1] Cc1ccc(cc1)Cn1ccnc1SCC(=O)N[*:1]
Cc1ccc(Cn2ccnc2SCC(=O)Nc2nnc(C)s2)cc1 Cc1ccc(cc1)[*:1] Cc1nnc(NC(=O)CSc2nccn2C[*:1])s1
CC[C@@H](C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 CC[C@@H](C)[*:1] O=C(N[*:1])[C@H]1C[C@@H]1c1ccccc1
CC[C@@H](C)[C@H]1C[NH+]=C(N)N1c1ccc(F)cc1 CC[C@@H](C)[*:1] NC1=[NH+]C[C@@H](N1c1ccc(F)cc1)[*:1]
COc1cccc(C[NH+](Cc2cc(C(N)=O)cs2)C2CCC(O)CC2)c1 NC(=O)c1csc(c1)[*:1] COc1cccc(c1)C[NH+](C[*:1])C1CCC(O)CC1
COc1cccc(C[NH+](Cc2cc(C(N)=O)cs2)C2CCC(O)CC2)c1 COc1cccc(c1)[*:1] NC(=O)c1csc(c1)C[NH+](C[*:1])C1CCC(O)CC1
COc1cccc(C[NH+](Cc2cc(C(N)=O)cs2)C2CCC(O)CC2)c1 NC(=O)[*:1] COc1cccc(c1)C[NH+](Cc1cc(cs1)[*:1])C1CCC(O)CC1
CCN(Cc1ccccn1)C(=O)c1cc(S(=O)(=O)NC)ccc1Cl c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)c1cc(ccc1Cl)S(=O)(=O)NC
CCN(Cc1ccccn1)C(=O)c1cc(S(=O)(=O)NC)ccc1Cl CNS(=O)(=O)[*:1] CCN(Cc1ccccn1)C(=O)c1cc(ccc1Cl)[*:1]
CCN(Cc1ccccn1)C(=O)c1cc(S(=O)(=O)NC)ccc1Cl c1ccc(C[*:1])nc1 CCN(C(=O)c1cc(ccc1Cl)S(=O)(=O)NC)[*:1]
C[C@](O)(C[NH2+]C1CC1)[C@H]1CCOC2(CCC2)C1 C1CC1[*:1] C[C@](O)(C[NH2+][*:1])[C@H]1CCOC2(CCC2)C1
COCCn1nc(C)c(NC(=O)Nc2ccc3nc(C4CC4)oc3c2)c1C COCC[*:1] Cc1nn(c(C)c1NC(=O)Nc1ccc2nc(oc2c1)C1CC1)[*:1]
COCCn1nc(C)c(NC(=O)Nc2ccc3nc(C4CC4)oc3c2)c1C COC[*:1] Cc1nn(C[*:1])c(C)c1NC(=O)Nc1ccc2nc(oc2c1)C1CC1
COCCn1nc(C)c(NC(=O)Nc2ccc3nc(C4CC4)oc3c2)c1C C1CC1[*:1] COCCn1nc(C)c(NC(=O)Nc2ccc3nc(oc3c2)[*:1])c1C
O=S(=O)(CCSc1ccc2ccccc2c1)Oc1ccccc1 c1ccc(cc1)[*:1] O=S(=O)(CCSc1ccc2ccccc2c1)O[*:1]
Cc1cc(C)n2nc(C(=O)Nc3ncc(Cc4ccccc4Br)s3)nc2n1 Brc1ccccc1[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Nc1ncc(C[*:1])s1
Cc1cc(C)n2nc(C(=O)Nc3ncc(Cc4ccccc4Br)s3)nc2n1 Brc1ccccc1C[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)Nc1ncc(s1)[*:1]
O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(Br)cc1 c1ccc(cc1)[*:1] O=C(C[C@@H]1SC(=N[*:1])NC1=O)Nc1ccc(Br)cc1
O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)N[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N2N=C(CC(C)C)C[C@]2(O)C(F)(F)F)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)N1N=C(CC(C)C)C[C@]1(O)C(F)(F)F)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N2N=C(CC(C)C)C[C@]2(O)C(F)(F)F)c1 CC(C)C[*:1] Cc1ccc(c(c1)OCC(=O)N1N=C(C[C@]1(O)C(F)(F)F)[*:1])C(C)C
Cc1ccc(C(C)C)c(OCC(=O)N2N=C(CC(C)C)C[C@]2(O)C(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(c(c1)OCC(=O)N1N=C(CC(C)C)C[C@@]1(O)[*:1])C(C)C
Cc1ccc(C(C)C)c(OCC(=O)N2N=C(CC(C)C)C[C@]2(O)C(F)(F)F)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)N1N=C(C[C@]1(O)C(F)(F)F)C[*:1])C(C)C
CCOc1ccc(CN(C)[C@@H](C)c2sc(C)nc2C)nc1 CCO[*:1] Cc1nc(C)c(s1)[C@H](C)N(C)Cc1ccc(cn1)[*:1]
CCOc1ccc(CN(C)[C@@H](C)c2sc(C)nc2C)nc1 Cc1nc(C)c(s1)[*:1] CCOc1ccc(CN(C)[C@@H](C)[*:1])nc1
O=C([C@H]1C=C(c2ccccc2)N=N1)N1CCOCC1 c1ccc(cc1)[*:1] O=C([C@H]1C=C(N=N1)[*:1])N1CCOCC1
CC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1F)c1ccncc1 c1cc(ccn1)[*:1] CC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1F)[*:1]
CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cn(C)c3ccccc23)C1 Cn1cc(c2ccccc21)[*:1] CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C1)C(=O)[*:1]
CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cn(C)c3ccccc23)C1 CNC(=O)[*:1] Cn1cc(C(=O)N2CC[C@H](C2)c2c(sc3ccccc23)[*:1])c2ccccc21
CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CS(=O)(=O)N(CCCC(=O)Nc1ccc2OCCOc2c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N(CCc2cccc(F)c2)C2CC2)o1 Fc1cccc(c1)C[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N(C[*:1])C1CC1
Cc1ccc([C@@H](C)NC(=O)N(CCc2cccc(F)c2)C2CC2)o1 Cc1ccc(o1)[*:1] C[C@@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N(CCc2cccc(F)c2)C2CC2)o1 C1CC1[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N(CCc1cccc(F)c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)N(CCc2cccc(F)c2)C2CC2)o1 Fc1cccc(c1)[*:1] Cc1ccc(o1)[C@@H](C)NC(=O)N(CC[*:1])C1CC1
O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC(n2cccc2)CC1 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCN(C1)[*:1])N1CCC(CC1)n1cccc1
O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC(n2cccc2)CC1 c1ccn(c1)[*:1] O=C(NC[C@@H]1CCN(C1)c1ccccc1)N1CCC(CC1)[*:1]
Cc1ccc([S@](=O)O)cc1Cl O=[S@](O)[*:1] Cc1ccc(cc1Cl)[*:1]
O=C(NCC[NH+]1CCC(c2ccsc2)CC1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(NCC[NH+]1CCC(CC1)c1ccsc1)N[*:1]
O=C(NCC[NH+]1CCC(c2ccsc2)CC1)NC1CCCCC1 c1cc(cs1)[*:1] O=C(NCC[NH+]1CCC(CC1)[*:1])NC1CCCCC1
C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1 Fc1ccc(cc1)[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1Cc1ccccc1)-c1cccs1)C(=O)NC[*:1]
C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1 c1csc(c1)[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1Cc1ccccc1)[*:1])C(=O)NCc1ccc(F)cc1
C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1 O=C(NCc1ccc(F)cc1)[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1Cc1ccccc1)-c1cccs1)[*:1]
C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1C[*:1])-c1cccs1)C(=O)NCc1ccc(F)cc1
C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1[*:1])-c1cccs1)C(=O)NCc1ccc(F)cc1
C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1 Fc1ccc(cc1)C[*:1] C[C@@]1(Cn2nc(cc2C(=O)N1Cc1ccccc1)-c1cccs1)C(=O)N[*:1]
c1ccc(C[C@@H]2c3ccccc3CCN2c2cc(-n3ccnc3)ncn2)cc1 c1ccc(cc1)C[*:1] c1ccc2c(c1)CCN(c1cc(ncn1)-n1ccnc1)[C@@H]2[*:1]
c1ccc(C[C@@H]2c3ccccc3CCN2c2cc(-n3ccnc3)ncn2)cc1 c1cn(cn1)[*:1] c1ccc(cc1)C[C@@H]1c2ccccc2CCN1c1cc(ncn1)[*:1]
c1ccc(C[C@@H]2c3ccccc3CCN2c2cc(-n3ccnc3)ncn2)cc1 c1ccc(cc1)[*:1] c1ccc2c(c1)CCN(c1cc(ncn1)-n1ccnc1)[C@@H]2C[*:1]
COc1cc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1NC(=O)c1cccs1 O=C(N[*:1])c1cccs1 COc1cc(ccc1[*:1])NC(=O)c1cc(Cl)c(OC)c(Cl)c1
COc1cc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1NC(=O)c1cccs1 c1csc(c1)[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)c1cc(Cl)c(OC)c(Cl)c1
COCC[C@H](C)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] COCC[C@H](C)C(=O)N[C@@H](C)c1noc(n1)[*:1]
COCC[C@H](C)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 COCC[C@H](C)[*:1] C[C@H](NC(=O)[*:1])c1noc(n1)-c1ccc(Cl)cc1
COCC[C@H](C)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 COCC[*:1] C[C@H](NC(=O)[C@@H](C)[*:1])c1noc(n1)-c1ccc(Cl)cc1
COCC[C@H](C)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 COC[*:1] C[C@@H](C[*:1])C(=O)N[C@@H](C)c1noc(n1)-c1ccc(Cl)cc1
CCN(CC)C(=O)c1ccc(-n2cccn2)cc1 c1cnn(c1)[*:1] CCN(CC)C(=O)c1ccc(cc1)[*:1]
COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1cccnc1)S(C)(=O)=O c1cncc(c1)[*:1] COc1ccc(Cl)cc1N([C@H](C)C(=O)NC[*:1])S(C)(=O)=O
COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1cccnc1)S(C)(=O)=O c1cncc(c1)C[*:1] COc1ccc(Cl)cc1N([C@H](C)C(=O)N[*:1])S(C)(=O)=O
CCc1nc(C(=O)N2CC[NH+]([C@H](C)C(=O)[O-])CC2)n[nH]1 O=C([O-])[*:1] CCc1nc(n[nH]1)C(=O)N1CC[NH+](CC1)[C@H](C)[*:1]
Cc1ccc2c(CC(=O)N[C@@H]3CCCC[C@H]3C)coc2c1 C[C@@H]1CCCC[C@H]1[*:1] Cc1ccc2c(coc2c1)CC(=O)N[*:1]
COc1cc(C2=NC(=O)C3=C4CC[C@H](C)C[C@@H]4SC3=N2)cc(Br)c1OS(C)(=O)=O CS(=O)(=O)O[*:1] COc1cc(cc(Br)c1[*:1])C1N=C2S[C@H]3C[C@@H](C)CCC3=C2C(=O)N=1
COCCn1cnnc1[C@H](C)Nc1ncc2c(n1)CCN2c1ccccc1 COC[*:1] C[C@H](Nc1ncc2c(CCN2c2ccccc2)n1)c1nncn1C[*:1]
COCCn1cnnc1[C@H](C)Nc1ncc2c(n1)CCN2c1ccccc1 COCCn1cnnc1[*:1] C[C@H](Nc1ncc2c(CCN2c2ccccc2)n1)[*:1]
COCCn1cnnc1[C@H](C)Nc1ncc2c(n1)CCN2c1ccccc1 COCC[*:1] C[C@H](Nc1ncc2c(CCN2c2ccccc2)n1)c1nncn1[*:1]
COCCn1cnnc1[C@H](C)Nc1ncc2c(n1)CCN2c1ccccc1 c1ccc(cc1)[*:1] COCCn1cnnc1[C@H](C)Nc1ncc2c(CCN2[*:1])n1
O=C(c1sccc1-n1cccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])[*:1] O=C(c1sccc1-n1cccc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[*:1]
O=C(c1sccc1-n1cccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 O=[N+]([O-])c1ccc(cc1)[*:1] O=C(c1sccc1-n1cccc1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C(c1sccc1-n1cccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 c1ccn(c1)[*:1] O=C(c1sccc1[*:1])N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
O=C(c1sccc1-n1cccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 c1ccn(c1)-c1ccsc1[*:1] O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccncc1 N#CC[*:1] Cc1c(cnn1-c1ccncc1)C(=O)Nc1cccc(c1)OCC[*:1]
Cc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccncc1 c1cc(ccn1)[*:1] Cc1c(cnn1[*:1])C(=O)Nc1cccc(c1)OCCCC#N
Cc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccncc1 N#CCCCO[*:1] Cc1c(cnn1-c1ccncc1)C(=O)Nc1cccc(c1)[*:1]
Cc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccncc1 N#CCCC[*:1] Cc1c(cnn1-c1ccncc1)C(=O)Nc1cccc(c1)O[*:1]
Cc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1-c1ccncc1 N#CCC[*:1] Cc1c(cnn1-c1ccncc1)C(=O)Nc1cccc(c1)OC[*:1]
Cc1c(-c2nc(CC(=O)NC3CCCC3)no2)cnn1-c1ccccc1F Fc1ccccc1[*:1] Cc1c(cnn1[*:1])-c1nc(CC(=O)NC2CCCC2)no1
Cc1c(-c2nc(CC(=O)NC3CCCC3)no2)cnn1-c1ccccc1F O=C(C[*:1])NC1CCCC1 Cc1c(cnn1-c1ccccc1F)-c1nc(no1)[*:1]
Cc1c(-c2nc(CC(=O)NC3CCCC3)no2)cnn1-c1ccccc1F C1CCC(C1)[*:1] Cc1c(cnn1-c1ccccc1F)-c1nc(CC(=O)N[*:1])no1
Cc1c(-c2nc(CC(=O)NC3CCCC3)no2)cnn1-c1ccccc1F O=C(NC1CCCC1)[*:1] Cc1c(cnn1-c1ccccc1F)-c1nc(C[*:1])no1
CC(C)(C)[NH2+]CCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 CC(C)(C)[*:1] O=C([O-])C[C@H]1CN(CCO1)C(=O)CC[NH2+][*:1]
CC(C)(C)[NH2+]CCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])C[*:1] CC(C)(C)[NH2+]CCC(=O)N1CCO[C@@H](C1)[*:1]
CC(C)(C)[NH2+]CCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 O=C([O-])[*:1] CC(C)(C)[NH2+]CCC(=O)N1CCO[C@H](C1)C[*:1]
COc1ccc(OC)c(NC(=O)c2cc(C)n(C3CC3)c2C)c1 C1CC1[*:1] COc1ccc(OC)c(c1)NC(=O)c1cc(C)n(c1C)[*:1]
CC[C@@](C)(NC(=O)[C@H]1OCCc2ccccc21)C(=O)[O-] O=C([O-])[*:1] CC[C@@](C)(NC(=O)[C@H]1OCCc2ccccc21)[*:1]
Cc1cnc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)s1 Cc1cnc(s1)[*:1] Cc1cccc(C)c1OCc1nnc(o1)SCC(=O)N[*:1]
Cc1cnc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)s1 Cc1cccc(C)c1[*:1] Cc1cnc(NC(=O)CSc2nnc(CO[*:1])o2)s1
Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)on1 FC(F)(F)O[*:1] Cc1cc(on1)C(=O)N[C@@H]1CCN(C1=O)c1cccc(c1)[*:1]
Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)on1 FC(F)(F)[*:1] Cc1cc(on1)C(=O)N[C@@H]1CCN(C1=O)c1cccc(c1)O[*:1]
Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)on1 Cc1cc(on1)[*:1] O=C1[C@@H](CCN1c1cccc(c1)OC(F)(F)F)NC(=O)[*:1]
O=C(CSc1nnc(-c2ccco2)o1)c1ccccc1Cl Clc1ccccc1[*:1] O=C(CSc1nnc(o1)-c1ccco1)[*:1]
O=C(CSc1nnc(-c2ccco2)o1)c1ccccc1Cl c1coc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])c1ccccc1Cl
CCOC(=O)Nc1cccc(NCc2noc(C)n2)c1C CCOC(=O)N[*:1] Cc1nc(CNc2cccc(c2C)[*:1])no1
CCOC(=O)Nc1cccc(NCc2noc(C)n2)c1C Cc1nc(no1)[*:1] CCOC(=O)Nc1cccc(NC[*:1])c1C
CCOC(=O)Nc1cccc(NCc2noc(C)n2)c1C Cc1nc(C[*:1])no1 CCOC(=O)Nc1cccc(N[*:1])c1C
CC(C)c1cc(/C([O-])=N/S(=O)(=O)c2cccs2)nn1C c1csc(c1)[*:1] CC(C)c1cc(nn1C)/C([O-])=N/S(=O)(=O)[*:1]
CC(C)c1cc(/C([O-])=N/S(=O)(=O)c2cccs2)nn1C CC(C)[*:1] Cn1nc(cc1[*:1])/C([O-])=N/S(=O)(=O)c1cccs1
COc1ccc(OCC[NH+](C)CC(=O)N2CCSc3ccccc32)cc1 COc1ccc(cc1)[*:1] C[NH+](CCO[*:1])CC(=O)N1CCSc2ccccc21
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)S(=O)(=O)c1cc(Cl)ccc1Cl Clc1ccc(Cl)c(c1)[*:1] Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)S(=O)(=O)[*:1]
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)S(=O)(=O)c1cc(Cl)ccc1Cl c1ccc(cc1)[*:1] Cc1nn(c(C)c1/C=C(/C#N)S(=O)(=O)c1cc(Cl)ccc1Cl)[*:1]
CCO[C@H]1C[C@H](N(C)C(=O)c2nccnc2N)C12CCCCC2 Nc1nccnc1[*:1] CCO[C@H]1C[C@H](N(C)C(=O)[*:1])C12CCCCC2
CCO[C@H]1C[C@H](N(C)C(=O)c2nccnc2N)C12CCCCC2 CCO[*:1] CN(C(=O)c1nccnc1N)[C@H]1C[C@@H](C12CCCCC2)[*:1]
Cc1cccc(CNC(=O)Nc2cc(S(C)(=O)=O)ccc2F)c1 Cc1cccc(c1)[*:1] CS(=O)(=O)c1ccc(F)c(c1)NC(=O)NC[*:1]
Cc1cccc(CNC(=O)Nc2cc(S(C)(=O)=O)ccc2F)c1 CS(=O)(=O)[*:1] Cc1cccc(c1)CNC(=O)Nc1cc(ccc1F)[*:1]
CC(C)CC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 CC(C)C[*:1] O=C(c1c[nH]c2cc(ccc12)[N+](=O)[O-])[*:1]
CC(C)CC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 O=[N+]([O-])[*:1] CC(C)CC(=O)c1c[nH]c2cc(ccc12)[*:1]
CC(C)CC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 CC(C)CC(=O)[*:1] O=[N+]([O-])c1ccc2c(c[nH]c2c1)[*:1]
CC(C)CC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 CC(C)[*:1] O=C(C[*:1])c1c[nH]c2cc(ccc12)[N+](=O)[O-]
N#C[C@@H]1C(=O)NC(=O)[C@@H]([n+]2ccccc2)[C@H]1c1ccc(F)cc1 c1cc[n+](cc1)[*:1] N#C[C@@H]1C(=O)NC(=O)[C@@H]([C@H]1c1ccc(F)cc1)[*:1]
N#C[C@@H]1C(=O)NC(=O)[C@@H]([n+]2ccccc2)[C@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#C[C@@H]1C(=O)NC(=O)[C@H]([C@@H]1[*:1])[n+]1ccccc1
C=CCOc1ccc(/C=N\NC2N=NN=N2)cc1OC C=CC[*:1] COc1cc(/C=N\NC2N=NN=N2)ccc1O[*:1]
C=CCOc1ccc(/C=N\NC2N=NN=N2)cc1OC C=CCO[*:1] COc1cc(/C=N\NC2N=NN=N2)ccc1[*:1]
C[C@@H]1CCCC[C@@H]1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1 C[C@@H]1CCCC[C@H]1[*:1] CC1(C)CC(CC(C)(C)[NH2+]1)NC(=S)N[*:1]
Cc1ccnc2nc(C(=O)NNC(=O)CCC3CCCCC3)nn12 C1CCC(CC1)[*:1] Cc1ccnc2nc(nn12)C(=O)NNC(=O)CC[*:1]
Cc1ccnc2nc(C(=O)NNC(=O)CCC3CCCCC3)nn12 C1CCC(CC1)C[*:1] Cc1ccnc2nc(nn12)C(=O)NNC(=O)C[*:1]
Cc1ccnc2nc(C(=O)NNC(=O)CCC3CCCCC3)nn12 C1CCC(CC1)CC[*:1] Cc1ccnc2nc(nn12)C(=O)NNC(=O)[*:1]
CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4nc([O-])oc4c3)C2)c1 CSc1cccc(c1)[*:1] O=C(N[*:1])[C@H]1CCCN(C1)S(=O)(=O)c1ccc2nc([O-])oc2c1
Cc1cc(C(=O)NCc2ccccn2)c2c(=O)[nH]n(C)c2n1 c1ccc(C[*:1])nc1 Cc1cc(C(=O)N[*:1])c2c(=O)[nH]n(C)c2n1
Cc1cc(C(=O)NCc2ccccn2)c2c(=O)[nH]n(C)c2n1 c1ccc(nc1)[*:1] Cc1cc(C(=O)NC[*:1])c2c(=O)[nH]n(C)c2n1
Cc1ccccc1C1(c2ccccc2C)C[C@@H]1C(=O)NCc1ccco1 c1coc(c1)C[*:1] Cc1ccccc1C1(C[C@@H]1C(=O)N[*:1])c1ccccc1C
Cc1ccccc1C1(c2ccccc2C)C[C@@H]1C(=O)NCc1ccco1 c1coc(c1)[*:1] Cc1ccccc1C1(C[C@@H]1C(=O)NC[*:1])c1ccccc1C
Cc1ccccc1C1(c2ccccc2C)C[C@@H]1C(=O)NCc1ccco1 Cc1ccccc1[*:1] Cc1ccccc1C1(C[C@@H]1C(=O)NCc1ccco1)[*:1]
O=C(COC(=O)/C=C/c1cccs1)Nc1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] O=C(COC(=O)/C=C/c1cccs1)Nc1ncc(cc1Cl)[*:1]
O=C(COC(=O)/C=C/c1cccs1)Nc1ncc(C(F)(F)F)cc1Cl c1csc(c1)[*:1] O=C(COC(=O)C=C[*:1])Nc1ncc(cc1Cl)C(F)(F)F
O=C(COC(=O)/C=C/c1cccs1)Nc1ncc(C(F)(F)F)cc1Cl C(=C[*:1])c1cccs1 O=C(COC(=O)[*:1])Nc1ncc(cc1Cl)C(F)(F)F
Cc1ccc(/C=C/CC(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)cc1 CN(C)C(=O)[*:1] Cc1ccc(/C=C/CC(=O)Nc2ccc(c(C)c2)[*:1])cc1
Cc1ccc(/C=C/CC(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(ccc1C(=O)N(C)C)NC(=O)CC=C[*:1]
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 O=C(NCc1ccccc1)[*:1] N#CC(=Cc1c(nc2ccccn2c1=O)Oc1ccccc1)[*:1]
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 c1ccc(cc1)O[*:1] N#C/C(=C\c1c(nc2ccccn2c1=O)[*:1])C(=O)NCc1ccccc1
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 c1ccc(cc1)C[*:1] N#C/C(=C\c1c(nc2ccccn2c1=O)Oc1ccccc1)C(=O)N[*:1]
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1c(nc2ccccn2c1=O)Oc1ccccc1)C(=O)NC[*:1]
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 c1ccc(cc1)[*:1] N#C/C(=C\c1c(nc2ccccn2c1=O)O[*:1])C(=O)NCc1ccccc1
C[C@H](c1cccs1)N(C)C(=O)CSc1nc2ccccc2[nH]1 C[C@H](c1cccs1)[*:1] CN(C(=O)CSc1nc2ccccc2[nH]1)[*:1]
C[C@H](c1cccs1)N(C)C(=O)CSc1nc2ccccc2[nH]1 c1csc(c1)[*:1] C[C@H](N(C)C(=O)CSc1nc2ccccc2[nH]1)[*:1]
CNC(=O)CSc1nnc(-n2nc(C)cc2C)c2ccccc12 Cc1cc(C)n(n1)[*:1] CNC(=O)CSc1nnc(c2ccccc12)[*:1]
CNC(=O)CSc1nnc(-n2nc(C)cc2C)c2ccccc12 CNC(=O)C[*:1] Cc1cc(C)n(n1)-c1nnc(S[*:1])c2ccccc12
CNC(=O)CSc1nnc(-n2nc(C)cc2C)c2ccccc12 CNC(=O)CS[*:1] Cc1cc(C)n(n1)-c1nnc(c2ccccc12)[*:1]
CNC(=O)CSc1nnc(-n2nc(C)cc2C)c2ccccc12 CNC(=O)[*:1] Cc1cc(C)n(n1)-c1nnc(SC[*:1])c2ccccc12
COc1ccc(-c2cc(-c3cnn(C(C)C)c3)c(C#N)c(N)n2)cc1OC CC(C)n1cc(cn1)[*:1] COc1ccc(cc1OC)-c1cc(c(C#N)c(N)n1)[*:1]
COc1ccc(-c2cc(-c3cnn(C(C)C)c3)c(C#N)c(N)n2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)-c1cc(-c2cnn(c2)[*:1])c(C#N)c(N)n1
Cc1ccc(NC(=O)CN2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)N1CCN(CC1)CC(=O)N[*:1]
Cc1ccc(NC(=O)CN2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)NC(=O)CN1CCN(CC1)C(=O)N[*:1]
O=C(C1CC1)N(Cc1ccco1)c1ccc(F)cc1F c1coc(c1)C[*:1] O=C(C1CC1)N(c1ccc(F)cc1F)[*:1]
O=C(C1CC1)N(Cc1ccco1)c1ccc(F)cc1F c1coc(c1)[*:1] O=C(C1CC1)N(C[*:1])c1ccc(F)cc1F
O=C(C1CC1)N(Cc1ccco1)c1ccc(F)cc1F C1CC1[*:1] O=C(N(Cc1ccco1)c1ccc(F)cc1F)[*:1]
O=C(NCC(=O)N1CCCCC1)Nc1cccc(CC[NH+]2CCCC2)c1 O=C(N1CCCCC1)[*:1] O=C(NC[*:1])Nc1cccc(c1)CC[NH+]1CCCC1
CCCOc1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1 CCCO[*:1] Cc1ccc(NC(=O)c2ccc(cc2)[*:1])c(Cl)c1
CCCOc1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1 CCC[*:1] Cc1ccc(NC(=O)c2ccc(cc2)O[*:1])c(Cl)c1
C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+](C)C FC(F)(F)[*:1] C[C@@H](C(=O)Nc1ccc(OC[*:1])c(C#N)c1)[NH+](C)C
C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+](C)C FC(F)(F)C[*:1] C[C@@H](C(=O)Nc1ccc(O[*:1])c(C#N)c1)[NH+](C)C
C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+](C)C FC(F)(F)CO[*:1] C[C@@H](C(=O)Nc1ccc(c(C#N)c1)[*:1])[NH+](C)C
CCC[C@H]([NH3+])c1ccn(Cc2ncnn2CC(C)C)c1 CC(C)[*:1] CCC[C@H]([NH3+])c1ccn(c1)Cc1ncnn1C[*:1]
CCC[C@H]([NH3+])c1ccn(Cc2ncnn2CC(C)C)c1 CC(C)C[*:1] CCC[C@H]([NH3+])c1ccn(c1)Cc1ncnn1[*:1]
CCC[C@H]([NH3+])c1ccn(Cc2ncnn2CC(C)C)c1 CCC[*:1] CC(C)Cn1ncnc1Cn1ccc(c1)[C@@H]([NH3+])[*:1]
O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc(Cl)s1 Clc1ccc(s1)[*:1] O=C(Nc1nc2c(F)cc(F)cc2s1)[*:1]
Cc1nn(C)c(C)c1C(=O)/C=C/c1cnn(C)c1 Cn1cc(cn1)[*:1] Cc1nn(C)c(C)c1C(=O)C=C[*:1]
CO[C@]1(C)C[C@@H](NC(=O)c2sccc2C)C1(C)C Cc1ccsc1[*:1] CO[C@]1(C)C[C@@H](NC(=O)[*:1])C1(C)C
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc(F)cc1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)Nc1ccc(F)cc1)[*:1]
COc1cccc(C(=O)[C@H]2CCCN(C(=O)c3cccc(C#CC(C)(C)O)c3)C2)c1 COc1cccc(c1)C(=O)[*:1] CC(C)(O)C#Cc1cccc(c1)C(=O)N1CCC[C@@H](C1)[*:1]
COc1cccc(C(=O)[C@H]2CCCN(C(=O)c3cccc(C#CC(C)(C)O)c3)C2)c1 COc1cccc(c1)[*:1] CC(C)(O)C#Cc1cccc(c1)C(=O)N1CCC[C@@H](C1)C(=O)[*:1]
COc1cccc(C(=O)[C@H]2CCCN(C(=O)c3cccc(C#CC(C)(C)O)c3)C2)c1 CC(C)(O)[*:1] COc1cccc(c1)C(=O)[C@H]1CCCN(C1)C(=O)c1cccc(C#C[*:1])c1
COc1cccc(C(=O)[C@H]2CCCN(C(=O)c3cccc(C#CC(C)(C)O)c3)C2)c1 CC(C)(O)C#C[*:1] COc1cccc(c1)C(=O)[C@H]1CCCN(C1)C(=O)c1cccc(c1)[*:1]
C[C@@]12C(=O)N(Cc3nc(-c4ccccc4)n[nH]3)C(=O)[C@H]1[C@@H]1C=C[C@H]2C1 c1ccc(cc1)[*:1] C[C@@]12C(=O)N(Cc3nc(n[nH]3)[*:1])C(=O)[C@H]1[C@@H]1C=C[C@H]2C1
C[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N(C)C
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccccc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1NC(=O)Cc1ccccc1)[*:1]
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N(C)C
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(cc1Cl)[*:1]
C[NH+](C)[C@@H](CNC(=O)NCc1cccs1)c1ccccc1 c1csc(c1)C[*:1] C[NH+](C)[C@@H](CNC(=O)N[*:1])c1ccccc1
C[NH+](C)[C@@H](CNC(=O)NCc1cccs1)c1ccccc1 c1ccc(cc1)[*:1] C[NH+](C)[C@@H](CNC(=O)NCc1cccs1)[*:1]
C[NH+](C)[C@@H](CNC(=O)NCc1cccs1)c1ccccc1 c1csc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)NC[*:1])c1ccccc1
C[C@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1cccs1 c1csc(c1)[*:1] C[C@H](CNC(=O)[C@H]1CCCN(C1)S(C)(=O)=O)[*:1]
C[C@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1cccs1 C[C@H](c1cccs1)[*:1] CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NC[*:1]
CN(C)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1F c1ccc(nc1)[*:1] CN(C)c1ccc(cc1F)C(=O)N[C@H](c1ccccc1)[*:1]
CN(C)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1F CN(C)[*:1] O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(c(F)c1)[*:1]
CN(C)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1F c1ccc(cc1)[*:1] CN(C)c1ccc(cc1F)C(=O)N[C@H](c1ccccn1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1C CC(=O)c1c(C)[nH]c(c1C)[*:1] O=C(Nc1ccc(cc1)NS(=O)(=O)c1ccc2OCCCOc2c1)[*:1]
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1C CC(=O)[*:1] Cc1[nH]c(C(=O)Nc2ccc(cc2)NS(=O)(=O)c2ccc3OCCCOc3c2)c(C)c1[*:1]
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1C c1cc2OCCCOc2cc1[*:1] CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(cc2)NS(=O)(=O)[*:1])c1C
CCOC(=O)[C@H]1CCCN(c2ncnc(NCc3cccnc3)c2N)C1 c1cncc(c1)C[*:1] CCOC(=O)[C@H]1CCCN(C1)c1ncnc(N[*:1])c1N
CCOC(=O)[C@H]1CCCN(c2ncnc(NCc3cccnc3)c2N)C1 c1cncc(c1)[*:1] CCOC(=O)[C@H]1CCCN(C1)c1ncnc(NC[*:1])c1N
CCOC(=O)[C@H]1CCCN(c2ncnc(NCc3cccnc3)c2N)C1 c1cncc(c1)CN[*:1] CCOC(=O)[C@H]1CCCN(C1)c1ncnc(c1N)[*:1]
CCOC(=O)[C@H]1CCCN(c2ncnc(NCc3cccnc3)c2N)C1 CCOC(=O)[*:1] Nc1c(ncnc1N1CCC[C@@H](C1)[*:1])NCc1cccnc1
CCOc1ccccc1C(=O)NC[C@H](C)c1ccsc1 CCO[*:1] C[C@@H](CNC(=O)c1ccccc1[*:1])c1ccsc1
CCOc1ccccc1C(=O)NC[C@H](C)c1ccsc1 c1cc(cs1)[*:1] CCOc1ccccc1C(=O)NC[C@H](C)[*:1]
COC(=O)[C@@H]1CN(Cc2cc(C)oc2C)C[C@@H]1C COC(=O)[*:1] Cc1cc(CN2C[C@H]([C@@H](C)C2)[*:1])c(C)o1
Cc1nc(C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)c(C)s1 Cc1nc(c(C)s1)[*:1] Cc1cc2OCCC[C@@H]([NH2+]C[*:1])c2cc1C
O=C(Cc1ccc(Br)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 Brc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(Cl)c(c1)[N+](=O)[O-]
O=C(Cc1ccc(Br)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Cc1ccc(Br)cc1)Nc1ccc(Cl)c(c1)[*:1]
O=C([O-])[C@H](F)Sc1cc2ccccc2[nH]1 O=C([O-])[*:1] F[C@H](Sc1cc2ccccc2[nH]1)[*:1]
Cc1cc(C)n(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)n1 C1CO[C@@H](C1)C[*:1] Cc1cc(C)n(CC(=O)N([C@H]2CCSC2)[*:1])n1
Cc1cc(C)n(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)n1 C1CO[C@@H](C1)[*:1] Cc1cc(C)n(CC(=O)N(C[*:1])[C@H]2CCSC2)n1
Cc1cc(C)n(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)n1 Cc1cc(C)n(n1)[*:1] O=C(C[*:1])N(C[C@@H]1CCCO1)[C@H]1CCSC1
Cc1cc(C)n(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)n1 C1C[C@@H](CS1)[*:1] Cc1cc(C)n(CC(=O)N(C[C@@H]2CCCO2)[*:1])n1
Cc1cc(CS(=O)(=O)Cc2ccc(Cl)cc2Cl)on1 Cc1cc(on1)[*:1] O=S(=O)(Cc1ccc(Cl)cc1Cl)C[*:1]
O=S(=O)([O-])c1ccc(/N=C/c2ccc(O)cc2O)cc1 O=S(=O)([O-])[*:1] Oc1ccc(/C=N/c2ccc(cc2)[*:1])c(O)c1
C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(F)cc2)CC1 Fc1ccc(cc1)C[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NC[*:1]
C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] C[C@@H]1C[C@@H]1C(=O)N1CCN(CC1)C(=O)NCC[*:1]
COCCN(Cc1ccsc1)C(=O)CC(C)(C)C COC[*:1] CC(C)(C)CC(=O)N(Cc1ccsc1)C[*:1]
COCCN(Cc1ccsc1)C(=O)CC(C)(C)C c1cc(cs1)C[*:1] COCCN(C(=O)CC(C)(C)C)[*:1]
COCCN(Cc1ccsc1)C(=O)CC(C)(C)C c1cc(cs1)[*:1] COCCN(C[*:1])C(=O)CC(C)(C)C
COCCN(Cc1ccsc1)C(=O)CC(C)(C)C CC(C)(C)C[*:1] COCCN(Cc1ccsc1)C(=O)[*:1]
COCCN(Cc1ccsc1)C(=O)CC(C)(C)C CC(C)(C)[*:1] COCCN(Cc1ccsc1)C(=O)C[*:1]
COCCN(Cc1ccsc1)C(=O)CC(C)(C)C COCC[*:1] CC(C)(C)CC(=O)N(Cc1ccsc1)[*:1]
CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)cc1 CC(=O)N[*:1] C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(cc2)[*:1])[C@H](C)C1
CCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O CCNC(=O)C[*:1] CS(=O)(=O)N(c1ccccc1Br)[*:1]
CCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O CCNC(=O)[*:1] CS(=O)(=O)N(C[*:1])c1ccccc1Br
CC(C)c1cccc(N(C)C(=O)Cn2ccc(=O)[nH]c2=O)c1 CC(C)[*:1] CN(C(=O)Cn1ccc(=O)[nH]c1=O)c1cccc(c1)[*:1]
C[C@@H]1CN(C(=O)c2ccc(NC(=O)C3CC3)s2)C[C@@H](C)O1 O=C(N[*:1])C1CC1 C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(s1)[*:1]
C[C@@H]1CN(C(=O)c2ccc(NC(=O)C3CC3)s2)C[C@@H](C)O1 C1CC1[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(NC(=O)[*:1])s1
C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)NC2(CCCC2)C1=O Clc1ccc(cc1)[*:1] C[C@@H](C(=O)N[*:1])N1C(=O)NC2(CCCC2)C1=O
COc1cccc(N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1CCN(CC1)C(=O)c1ccccc1[*:1]
COc1cccc(N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)c1 COc1cccc(c1)[*:1] O=C(c1ccccc1-c1ccccc1)N1CCN(CC1)[*:1]
CCNC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)o2)c1 Cc1occc1[*:1] CCNC(=O)c1cccc(c1)NC(=O)CSc1nnc(o1)[*:1]
CCNC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)o2)c1 CCNC(=O)[*:1] Cc1occc1-c1nnc(o1)SCC(=O)Nc1cccc(c1)[*:1]
Cc1ccc(/C(C=O)=C\N(C)C)cc1 CN(C)[*:1] Cc1ccc(cc1)C(C=O)=C[*:1]
Cc1cc([C@@H](C)NC(=O)c2n[nH]c(C3CC3)n2)c(C)s1 C1CC1[*:1] Cc1cc(c(C)s1)[C@@H](C)NC(=O)c1n[nH]c(n1)[*:1]
O=C([C@@H]1SCCc2ccccc21)N1CCC[C@H](n2cncn2)C1 c1ncn(n1)[*:1] O=C([C@@H]1SCCc2ccccc21)N1CCC[C@H](C1)[*:1]
[NH3+][C@H]1CCN(C2CC2)[C@@H]1c1ccc(F)c(F)c1 C1CC1[*:1] [NH3+][C@H]1CCN([C@@H]1c1ccc(F)c(F)c1)[*:1]
C[C@H](NC(=O)c1ccc[nH]1)c1ccc2c(c1)NC(=O)CO2 c1c[nH]c(c1)[*:1] C[C@H](NC(=O)[*:1])c1ccc2OCC(=O)Nc2c1
CNC(=O)NC(=O)[C@H](C)Nc1ccc2oc3ccccc3c2c1 CNC(=O)NC(=O)[*:1] C[C@H](Nc1ccc2oc3ccccc3c2c1)[*:1]
CC[C@H](C)N(C)[C@@H](C[NH3+])C1CCCCC1 CC[C@H](C)[*:1] CN([C@@H](C[NH3+])C1CCCCC1)[*:1]
Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 Cn1nnnc1[*:1] O=C(CS[*:1])Nc1ccccc1C(=O)c1ccccc1
Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 O=C(c1ccccc1)[*:1] Cn1nnnc1SCC(=O)Nc1ccccc1[*:1]
Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 c1ccc(cc1)[*:1] Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)[*:1]
Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 Cn1nnnc1S[*:1] O=C(C[*:1])Nc1ccccc1C(=O)c1ccccc1
Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 Cn1nnnc1SC[*:1] O=C(c1ccccc1)c1ccccc1NC(=O)[*:1]
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 O=[N+]([O-])[*:1] C[C@H](Sc1ccc(cc1)[*:1])C(=O)N1CC[C@](O)(C1)C(F)(F)F
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 FC(F)(F)[*:1] C[C@H](Sc1ccc(cc1)[N+](=O)[O-])C(=O)N1CC[C@@](O)(C1)[*:1]
COc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 COc1ccc(cc1)[*:1] O=C(COc1ccc(Cl)c2cccnc12)N[*:1]
C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)c1ccccc1 c1ccc(cc1)[*:1] C=CCN(C(=O)c1ccc(OC)c(c1)S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)[*:1]
C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)c1ccccc1 C=CC[*:1] COc1ccc(cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)C(=O)N(c1ccccc1)[*:1]
Cc1ccc(NC(=O)N[C@@H](C)CCCO)c(C)c1 OCCC[*:1] Cc1ccc(NC(=O)N[C@@H](C)[*:1])c(C)c1
Cc1ccc(NC(=O)N[C@@H](C)CCCO)c(C)c1 C[C@@H](CCCO)[*:1] Cc1ccc(NC(=O)N[*:1])c(C)c1
Cc1ccc(NC(=O)N[C@@H](C)CCCO)c(C)c1 OCC[*:1] Cc1ccc(NC(=O)N[C@@H](C)C[*:1])c(C)c1
O=C(CNC(=O)c1ccc(Cl)cc1Cl)N/N=C/c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] O=C(CNC(=O)c1ccc(Cl)cc1Cl)N/N=C/c1ccc(cc1)[*:1]
O=C(CNC(=O)c1ccc(Cl)cc1Cl)N/N=C/c1ccc([N+](=O)[O-])cc1 Clc1ccc(c(Cl)c1)[*:1] O=C(CNC(=O)[*:1])N/N=C/c1ccc(cc1)[N+](=O)[O-]
COCCCn1cc(C(=O)N2CCN(C(C)=O)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 COCCC[*:1] CC(=O)N1CCN(CC1)C(=O)c1cn(cc2-c1nn(-c1ccccc1)c2=O)[*:1]
COCCCn1cc(C(=O)N2CCN(C(C)=O)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 c1ccc(cc1)[*:1] COCCCn1cc(C(=O)N2CCN(CC2)C(C)=O)c2nn(c(=O)c-2c1)[*:1]
COCCCn1cc(C(=O)N2CCN(C(C)=O)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 COC[*:1] CC(=O)N1CCN(CC1)C(=O)c1cn(cc2-c1nn(-c1ccccc1)c2=O)CC[*:1]
COCCCn1cc(C(=O)N2CCN(C(C)=O)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 COCC[*:1] CC(=O)N1CCN(CC1)C(=O)c1cn(cc2-c1nn(-c1ccccc1)c2=O)C[*:1]
Cc1ccc(CC(=O)NCCc2c[nH]c3ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C(C[*:1])NCCc1c[nH]c2ccccc12
Cc1ccc([C@@H](C)Nc2cc(Br)ccc2[N+](=O)[O-])cc1F O=[N+]([O-])[*:1] Cc1ccc(cc1F)[C@@H](C)Nc1cc(Br)ccc1[*:1]
O=C(Nc1ccc(COc2ccccc2)cc1)[C@H]1CCCc2[nH]ncc21 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)CO[*:1])[C@H]1CCCc2[nH]ncc21
O=C(Nc1ccc(COc2ccccc2)cc1)[C@H]1CCCc2[nH]ncc21 c1ccc(cc1)OC[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CCCc2[nH]ncc21
O=C(Nc1ccc(COc2ccccc2)cc1)[C@H]1CCCc2[nH]ncc21 c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)C[*:1])[C@H]1CCCc2[nH]ncc21
O=C([O-])/C=C/c1coc2cc(I)ccc2c1=O O=C([O-])[*:1] O=c1c(C=C[*:1])coc2cc(I)ccc12
O=C([O-])/C=C/c1coc2cc(I)ccc2c1=O O=C([O-])C=C[*:1] O=c1c(coc2cc(I)ccc12)[*:1]
CC(C)[C@H](Sc1ccccc1F)C(=O)N1CCN(c2cccc[nH+]2)CC1 CC(C)[*:1] O=C([C@@H](Sc1ccccc1F)[*:1])N1CCN(CC1)c1cccc[nH+]1
CC(C)[C@H](Sc1ccccc1F)C(=O)N1CCN(c2cccc[nH+]2)CC1 Fc1ccccc1S[*:1] CC(C)[C@H](C(=O)N1CCN(CC1)c1cccc[nH+]1)[*:1]
CC(C)[C@H](Sc1ccccc1F)C(=O)N1CCN(c2cccc[nH+]2)CC1 Fc1ccccc1[*:1] CC(C)[C@H](S[*:1])C(=O)N1CCN(CC1)c1cccc[nH+]1
CCCCCC(C)(C)CNc1ncnc2[nH]cnc12 CCCC[*:1] CC(C)(CNc1ncnc2[nH]cnc12)C[*:1]
CCCCCC(C)(C)CNc1ncnc2[nH]cnc12 CCCCC[*:1] CC(C)(CNc1ncnc2[nH]cnc12)[*:1]
CCCCCC(C)(C)CNc1ncnc2[nH]cnc12 CCC[*:1] CC(C)(CC[*:1])CNc1ncnc2[nH]cnc12
CSc1ccccc1C(=O)NCc1ccc(-c2csc(C)n2)cc1 Cc1nc(cs1)[*:1] CSc1ccccc1C(=O)NCc1ccc(cc1)[*:1]
CSc1ccccc1C(=O)NCc1ccc(-c2csc(C)n2)cc1 CSc1ccccc1[*:1] Cc1nc(cs1)-c1ccc(cc1)CNC(=O)[*:1]
O=C(OCC1CCN(CC(F)(F)F)CC1)[C@H]1COc2ccccc2C1 FC(F)(F)C[*:1] O=C(OCC1CCN(CC1)[*:1])[C@H]1COc2ccccc2C1
O=C(OCC1CCN(CC(F)(F)F)CC1)[C@H]1COc2ccccc2C1 FC(F)(F)[*:1] O=C(OCC1CCN(CC1)C[*:1])[C@H]1COc2ccccc2C1
CNc1cc[nH+]c(NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)n1 Fc1ccc(cc1)[*:1] CNc1cc[nH+]c(n1)NCc1ccc2[nH]c(c(C)c2c1)[*:1]
CN1C(C(=O)N2CCCCC2)=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O O=C(N1CCCCC1)[*:1] CN1C(=CC(=NS1(=O)=O)c1ccc2OCOc2c1)[*:1]
CCC[C@@H](CC(=O)OC)NC(=O)CC COC(=O)[*:1] CCC[C@@H](C[*:1])NC(=O)CC
CCC[C@@H](CC(=O)OC)NC(=O)CC CCC[*:1] CCC(=O)N[C@H](CC(=O)OC)[*:1]
CCc1nn(C)cc1CNC(=O)N(C)Cc1cccc2ccccc12 CCc1nn(C)cc1[*:1] CN(Cc1cccc2ccccc12)C(=O)NC[*:1]
C[C@H](Cc1nc2ccccc2n1C)C(=O)OC(C)(C)C CC(C)(C)[*:1] C[C@H](Cc1nc2ccccc2n1C)C(=O)O[*:1]
C=CCN(CC=C)C(=O)CNc1cccc(C)c1C C=CC[*:1] C=CCN(C(=O)CNc1cccc(C)c1C)[*:1]
Cc1noc(-c2ccnc(NCc3cccc(OCC(F)F)n3)c2)n1 FC(F)C[*:1] Cc1noc(n1)-c1ccnc(c1)NCc1cccc(n1)O[*:1]
Cc1noc(-c2ccnc(NCc3cccc(OCC(F)F)n3)c2)n1 FC(F)CO[*:1] Cc1noc(n1)-c1ccnc(c1)NCc1cccc(n1)[*:1]
Cc1noc(-c2ccnc(NCc3cccc(OCC(F)F)n3)c2)n1 Cc1noc(n1)[*:1] FC(F)COc1cccc(CNc2cc(ccn2)[*:1])n1
Cc1noc(-c2ccnc(NCc3cccc(OCC(F)F)n3)c2)n1 FC(F)[*:1] Cc1noc(n1)-c1ccnc(c1)NCc1cccc(n1)OC[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C[NH+](C)C2CCC2)cc1 C1CC(C1)[*:1] CC(C)N(C)S(=O)(=O)c1ccc(cc1)NC(=O)C[NH+](C)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C[NH+](C)C2CCC2)cc1 CC(C)[*:1] CN(S(=O)(=O)c1ccc(cc1)NC(=O)C[NH+](C)C1CCC1)[*:1]
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C[NH+](C)C2CCC2)cc1 CC(C)N(C)S(=O)(=O)[*:1] C[NH+](CC(=O)Nc1ccc(cc1)[*:1])C1CCC1
Cc1csc(C[C@H](O)Cc2nccs2)n1 c1csc(n1)[*:1] Cc1csc(C[C@H](O)C[*:1])n1
Cc1ccc(CC(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)CC(=O)Nc1cc(n[nH]1)[*:1]
Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)cc2)cc1 Cc1ccc(cc1)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(cc1)O[*:1]
Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)cc2)cc1 Cc1ccc(cc1)O[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)cc2)cc1 Cc1noc(C)c1[*:1] Cc1ccc(cc1)Oc1ccc(cc1)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)[*:1]
CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 O=[N+]([O-])[*:1] CCS(=O)(=O)N1CCCc2cc(ccc21)[N-]S(=O)(=O)c1cccc(c1)[*:1]
CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 O=[N+]([O-])c1cccc(c1)[*:1] CCS(=O)(=O)N1CCCc2cc(ccc21)[N-]S(=O)(=O)[*:1]
CN(C)C(=O)CCNC(=O)NC1CCC(C)(C)CC1 CN(C)C(=O)[*:1] CC1(C)CCC(CC1)NC(=O)NCC[*:1]
CN(C)C(=O)CCNC(=O)NC1CCC(C)(C)CC1 CN(C)C(=O)C[*:1] CC1(C)CCC(CC1)NC(=O)NC[*:1]
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC=CCC2)cc1 CC(=O)N[*:1] O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1ccc(cc1)[*:1]
O=C(Cc1ccc(F)c(F)c1)N1CCCC[C@@H]1CCO OCC[*:1] O=C(Cc1ccc(F)c(F)c1)N1CCCC[C@H]1[*:1]
O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1)N1CCN(CC1)[*:1]
O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCC(=O)N1CC[NH+](CC1)C(c1ccccc1)[*:1])N1CCN(CC1)c1ccccc1
OCCCC12CC3CC(CC(C3)C1)C2 OCCC[*:1] C1C2CC3CC1CC(C2)(C3)[*:1]
OCCCC12CC3CC(CC(C3)C1)C2 OCC[*:1] C1C2CC3CC1CC(C2)(C3)C[*:1]
O=C1OCCCN1Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 O=C1OCCCN1C[*:1] c1cc(cc(c1)-c1noc(n1)[*:1])C[NH+]1CCCCC1
O=C1OCCCN1Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 O=C1OCCCN1[*:1] c1cc(cc(c1)-c1noc(C[*:1])n1)C[NH+]1CCCCC1
C[C@@H]1CCC[C@H](N(C)C(=O)CCCn2ccnn2)C1 c1cn(nn1)[*:1] C[C@@H]1CCC[C@@H](C1)N(C)C(=O)CCC[*:1]
C[C@@H]1CCC[C@H](N(C)C(=O)CCCn2ccnn2)C1 c1cn(C[*:1])nn1 C[C@@H]1CCC[C@@H](C1)N(C)C(=O)CC[*:1]
C[C@H](CC(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(F)c1 Fc1cccc(c1)[*:1] C[C@H](CC(=O)N[C@H]1c2ccccc2C[C@@H]1O)[*:1]
C[NH2+]Cc1cncc(N(C)Cc2cnn(C)c2)n1 Cn1cc(cn1)[*:1] C[NH2+]Cc1cncc(n1)N(C)C[*:1]
C/C=C/C=C/C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 C/C=C/C=C[*:1] O=C(N1CCC[C@@H](C1)c1nnc2CCCCCn21)[*:1]
C/C=C/C=C/C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 CC=C[*:1] O=C(C=C[*:1])N1CCC[C@@H](C1)c1nnc2CCCCCn21
C[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccncc1 Clc1ccc(nn1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)[*:1])c1ccncc1
C[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H](NC(=O)[C@@H]1CCCN(C1)c1ccc(Cl)nn1)[*:1]
C[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccncc1 C[C@@H](c1ccncc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)c1ccc(Cl)nn1
Cc1ccc(Cl)c2sc(N3CC[NH+](CCNC(=O)c4ccc(N(C)C)cc4)CC3)nc12 CN(C)c1ccc(cc1)[*:1] Cc1ccc(Cl)c2sc(nc12)N1CC[NH+](CCNC(=O)[*:1])CC1
Cc1ccc(Cl)c2sc(N3CC[NH+](CCNC(=O)c4ccc(N(C)C)cc4)CC3)nc12 CN(C)[*:1] Cc1ccc(Cl)c2sc(nc12)N1CC[NH+](CCNC(=O)c2ccc(cc2)[*:1])CC1
CCN[C@@]1(C#N)CCC[C@@H](Sc2ccncc2)C1 c1cc(ccn1)[*:1] CCN[C@@]1(C#N)CCC[C@H](C1)S[*:1]
CCN[C@@]1(C#N)CCC[C@@H](Sc2ccncc2)C1 CCN[*:1] N#C[C@]1(CCC[C@H](C1)Sc1ccncc1)[*:1]
Cc1ccc(-c2noc(CN3CCN(C(=O)N[C@@H]4C[C@H]4C)CC3)n2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]1C[C@H]1NC(=O)N1CCN(CC1)Cc1nc(no1)[*:1]
CC(C)[C@@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1cccc(C(F)(F)F)c1 FC(F)(F)c1cccc(c1)[*:1] CC(C)[C@@H](NC(=O)C1CCN(CC1)C(=O)N1CCCC1)[*:1]
CC(C)[C@@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1cccc(C(F)(F)F)c1 CC(C)[*:1] O=C(N[C@@H](c1cccc(c1)C(F)(F)F)[*:1])C1CCN(CC1)C(=O)N1CCCC1
CC(C)[C@@H](NC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CC(C)[C@@H](NC(=O)C1CCN(CC1)C(=O)N1CCCC1)c1cccc(c1)[*:1]
CCOc1cc(/C=C2\S/C(=N\C3CCCC3)NC2=O)ccc1OC CCO[*:1] COc1ccc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1[*:1]
CCOc1cc(/C=C2\S/C(=N\C3CCCC3)NC2=O)ccc1OC C1CCC(C1)[*:1] CCOc1cc(/C=C2\SC(=N[*:1])NC2=O)ccc1OC
[O-]c1cc(C[C@H]2C[NH2+]CCO2)nc2nc(-c3ccccc3Cl)nn12 Clc1ccccc1[*:1] [O-]c1cc(C[C@H]2C[NH2+]CCO2)nc2nc(nn12)[*:1]
C[NH+](CCCNC(=O)OC(C)(C)C)C1CCSCC1 CC(C)(C)[*:1] C[NH+](CCCNC(=O)O[*:1])C1CCSCC1
COc1ccc(C)cc1NC(=O)COC(=O)c1cc(Cl)ccc1N Nc1ccc(Cl)cc1[*:1] COc1ccc(C)cc1NC(=O)COC(=O)[*:1]
COCCN(CC(=O)N(C)C)C(=O)c1cc(Br)ccc1Cl COC[*:1] CN(C)C(=O)CN(C[*:1])C(=O)c1cc(Br)ccc1Cl
COCCN(CC(=O)N(C)C)C(=O)c1cc(Br)ccc1Cl CN(C)C(=O)[*:1] COCCN(C[*:1])C(=O)c1cc(Br)ccc1Cl
COCCN(CC(=O)N(C)C)C(=O)c1cc(Br)ccc1Cl CN(C)C(=O)C[*:1] COCCN(C(=O)c1cc(Br)ccc1Cl)[*:1]
COCCN(CC(=O)N(C)C)C(=O)c1cc(Br)ccc1Cl COCC[*:1] CN(C)C(=O)CN(C(=O)c1cc(Br)ccc1Cl)[*:1]
CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cccc(Cl)c1 C1CC1[*:1] CC[C@@H](NC(=O)[C@H]1CCCN(C1)C(=O)[*:1])c1cccc(Cl)c1
CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[C@@H](NC(=O)[C@H]1CCCN(C1)C(=O)C1CC1)[*:1]
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CCc2cc(Cl)ccc21 Fc1cccc(Cl)c1[*:1] Cc1onc(c1C(=O)N[C@H]1CCc2cc(Cl)ccc21)[*:1]
CC(C)n1c[nH+]cc1CN(C)[C@H]1CCC[C@@H]1C[NH3+] CC(C)[*:1] CN(Cc1c[nH+]cn1[*:1])[C@H]1CCC[C@@H]1C[NH3+]
CCCCNC(=O)NCc1ccc(OC)nc1 CCCC[*:1] COc1ccc(cn1)CNC(=O)N[*:1]
CCCCNC(=O)NCc1ccc(OC)nc1 CCC[*:1] COc1ccc(cn1)CNC(=O)NC[*:1]
COc1ccc(Br)c(C(=O)NCc2cccnc2OCC(F)(F)F)c1 FC(F)(F)[*:1] COc1ccc(Br)c(c1)C(=O)NCc1cccnc1OC[*:1]
COc1ccc(Br)c(C(=O)NCc2cccnc2OCC(F)(F)F)c1 FC(F)(F)C[*:1] COc1ccc(Br)c(c1)C(=O)NCc1cccnc1O[*:1]
COc1ccc(Br)c(C(=O)NCc2cccnc2OCC(F)(F)F)c1 FC(F)(F)CO[*:1] COc1ccc(Br)c(c1)C(=O)NCc1cccnc1[*:1]
CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@@H](C)[C@@H](C)N1Cc1ccc(F)cc1 CC(C)C(=O)N[*:1] C[C@@H]1[C@@H](c2nc3ccccc3[nH]2)[C@H](N(Cc2ccc(F)cc2)[C@@H]1C)[*:1]
CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@@H](C)[C@@H](C)N1Cc1ccc(F)cc1 c1ccc2[nH]c(nc2c1)[*:1] CC(C)C(=O)N[C@@H]1[C@H]([C@@H](C)[C@@H](C)N1Cc1ccc(F)cc1)[*:1]
CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@@H](C)[C@@H](C)N1Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@@H](C)[C@@H](C)N1[*:1]
CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@@H](C)[C@@H](C)N1Cc1ccc(F)cc1 CC(C)[*:1] C[C@@H]1[C@@H](c2nc3ccccc3[nH]2)[C@@H](NC(=O)[*:1])N(Cc2ccc(F)cc2)[C@@H]1C
CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@@H](C)[C@@H](C)N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)C(=O)N[C@@H]1[C@H](c2nc3ccccc3[nH]2)[C@@H](C)[C@@H](C)N1C[*:1]
CC(=O)Nc1ccnn1C1CCN(Cc2cnc(-c3ccccc3)s2)CC1 c1ccc(cc1)[*:1] CC(=O)Nc1ccnn1C1CCN(CC1)Cc1cnc(s1)[*:1]
CC(=O)Nc1ccnn1C1CCN(Cc2cnc(-c3ccccc3)s2)CC1 CC(=O)N[*:1] c1ccc(cc1)-c1ncc(CN2CCC(CC2)n2nccc2[*:1])s1
CC(=O)Nc1ccnn1C1CCN(Cc2cnc(-c3ccccc3)s2)CC1 CC(=O)Nc1ccnn1[*:1] c1ccc(cc1)-c1ncc(CN2CCC(CC2)[*:1])s1
COc1ccccc1CNC(=O)c1ccc(C)c(-n2c(C)nc3cccnc32)c1 COc1ccccc1C[*:1] Cc1ccc(cc1-n1c(C)nc2cccnc21)C(=O)N[*:1]
COc1ccccc1CNC(=O)c1ccc(C)c(-n2c(C)nc3cccnc32)c1 COc1ccccc1[*:1] Cc1ccc(cc1-n1c(C)nc2cccnc21)C(=O)NC[*:1]
O=C(c1ccco1)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1 c1coc(c1)[*:1] O=C(c1cnc2sccn2c1=O)N1CCN(CC1)C(=O)[*:1]
O=C(c1nc2ccccc2s1)N(CCc1cccs1)Cc1cccnc1 c1cncc(c1)[*:1] O=C(c1nc2ccccc2s1)N(CCc1cccs1)C[*:1]
O=C(c1nc2ccccc2s1)N(CCc1cccs1)Cc1cccnc1 c1csc(c1)C[*:1] O=C(c1nc2ccccc2s1)N(Cc1cccnc1)C[*:1]
O=C(c1nc2ccccc2s1)N(CCc1cccs1)Cc1cccnc1 c1csc(c1)CC[*:1] O=C(c1nc2ccccc2s1)N(Cc1cccnc1)[*:1]
O=C(c1nc2ccccc2s1)N(CCc1cccs1)Cc1cccnc1 c1cncc(c1)C[*:1] O=C(c1nc2ccccc2s1)N(CCc1cccs1)[*:1]
O=C(c1nc2ccccc2s1)N(CCc1cccs1)Cc1cccnc1 c1csc(c1)[*:1] O=C(c1nc2ccccc2s1)N(CC[*:1])Cc1cccnc1
COC(=O)C[C@@H](C)C[C@H]([NH3+])c1cc(C)c(F)cc1F COC(=O)C[*:1] Cc1cc(c(F)cc1F)[C@@H]([NH3+])C[C@H](C)[*:1]
COC(=O)C[C@@H](C)C[C@H]([NH3+])c1cc(C)c(F)cc1F COC(=O)[*:1] Cc1cc(c(F)cc1F)[C@@H]([NH3+])C[C@H](C)C[*:1]
CNC(=O)NCC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)C[*:1] CNC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1[*:1]
CNC(=O)NCC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 c1ccc(cc1)[*:1] CNC(=O)NCC(=O)N[C@@H]1CCC[C@H]1C[*:1]
CNC(=O)NCC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 CNC(=O)N[*:1] O=C(C[*:1])N[C@@H]1CCC[C@H]1Cc1ccccc1
CNC(=O)NCC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 CNC(=O)NC[*:1] O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)[*:1]
Cc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1 c1cc(c2nonc2c1)[*:1] Cc1cccc(C)c1NC(=O)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1 Cc1cccc(C)c1[*:1] O=C(N[*:1])C1CCN(CC1)S(=O)(=O)c1cccc2nonc12
Cc1c(NS(C)(=O)=O)cccc1C(=O)N1CCCCCC1 CS(=O)(=O)N[*:1] Cc1c(cccc1[*:1])C(=O)N1CCCCCC1
CCC[C@@H](C)C(=O)NC[C@@H](CC)c1ccccc1 CCC[*:1] CC[C@H](CNC(=O)[C@H](C)[*:1])c1ccccc1
CCC[C@@H](C)C(=O)NC[C@@H](CC)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@@H](C)C(=O)NC[C@@H](CC)[*:1]
CCC[C@@H](C)C(=O)NC[C@@H](CC)c1ccccc1 CCC[C@@H](C)[*:1] CC[C@H](CNC(=O)[*:1])c1ccccc1
Cc1nc(-c2ccc(NC(=O)[C@H](C)c3cccs3)cc2)cs1 c1csc(c1)[*:1] Cc1nc(cs1)-c1ccc(cc1)NC(=O)[C@H](C)[*:1]
Cc1nc(-c2ccc(NC(=O)[C@H](C)c3cccs3)cc2)cs1 Cc1nc(cs1)[*:1] C[C@@H](C(=O)Nc1ccc(cc1)[*:1])c1cccs1
COc1ccc(CN(Cc2cccnc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC COc1ccc(cc1OC)[*:1] O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1cccnc1)C[*:1]
COc1ccc(CN(Cc2cccnc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)CN(C[*:1])C(=O)Nc1ccc(Cl)c(Cl)c1
COc1ccc(CN(Cc2cccnc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC c1cncc(c1)C[*:1] COc1ccc(cc1OC)CN(C(=O)Nc1ccc(Cl)c(Cl)c1)[*:1]
COc1ccc(CN(Cc2cccnc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC Clc1ccc(cc1Cl)[*:1] COc1ccc(cc1OC)CN(Cc1cccnc1)C(=O)N[*:1]
COC(=O)[C@@]1(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)CCOC1 COC(=O)[*:1] O=C(N[C@]1(CCOC1)[*:1])c1cnn(c1)-c1cccc(Cl)c1
COC(=O)[C@@]1(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)CCOC1 Clc1cccc(c1)[*:1] COC(=O)[C@]1(CCOC1)NC(=O)c1cnn(c1)[*:1]
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccc(OC(C)C)c1)CC(=O)N2 c1nc(c2nc[nH]c2n1)[*:1] Cc1nn(c2NC(=O)C[C@H](c3cccc(c3)OC(C)C)c12)[*:1]
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccc(OC(C)C)c1)CC(=O)N2 CC(C)O[*:1] Cc1nn(-c2ncnc3[nH]cnc23)c2NC(=O)C[C@H](c3cccc(c3)[*:1])c12
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccc(OC(C)C)c1)CC(=O)N2 CC(C)Oc1cccc(c1)[*:1] Cc1nn(-c2ncnc3[nH]cnc23)c2NC(=O)C[C@H](c12)[*:1]
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1cccc(OC(C)C)c1)CC(=O)N2 CC(C)[*:1] Cc1nn(-c2ncnc3[nH]cnc23)c2NC(=O)C[C@H](c3cccc(c3)O[*:1])c12
COC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2c[nH]c3ccccc23)C1=O c1ccc2c(c[nH]c2c1)[*:1] COC(=O)C1C(=O)C(=C[*:1])SC=1Nc1ccc(F)cc1
COC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2c[nH]c3ccccc23)C1=O Fc1ccc(cc1)[*:1] COC(=O)C1C(=O)/C(=C/c2c[nH]c3ccccc23)SC=1N[*:1]
COC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2c[nH]c3ccccc23)C1=O Fc1ccc(cc1)N[*:1] COC(=O)C1C(=O)/C(=C/c2c[nH]c3ccccc23)SC=1[*:1]
COC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2c[nH]c3ccccc23)C1=O COC(=O)[*:1] O=C1C(=C(Nc2ccc(F)cc2)S/C1=C\c1c[nH]c2ccccc12)[*:1]
CC[C@H](C)n1ncc(C(=O)Nc2ccc(F)cc2F)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)Nc2ccc(F)cc2F)c1[*:1]
COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 C1CCN(CC1)C[*:1] COC(=O)C1=C(NC(=O)N[C@H]1c1ccc(cc1)OC)[*:1]
COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1[*:1]
COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 C1CCN(CC1)[*:1] COC(=O)C1=C(C[*:1])NC(=O)N[C@H]1c1ccc(cc1)OC
COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 COC(=O)[*:1] COc1ccc(cc1)[C@@H]1NC(=O)NC(CN2CCCCC2)=C1[*:1]
C[C@H](Cn1cccn1)NC/C(Cl)=C/Cl Cl/C=C(\Cl)[*:1] C[C@H](Cn1cccn1)NC[*:1]
Cc1ccc(C)c(CSc2nc(Cc3nc(-c4ncccn4)no3)cs2)c1 Cc1ccc(C)c(c1)C[*:1] c1cnc(nc1)-c1noc(Cc2csc(n2)S[*:1])n1
Cc1ccc(C)c(CSc2nc(Cc3nc(-c4ncccn4)no3)cs2)c1 c1cnc(nc1)[*:1] Cc1ccc(C)c(c1)CSc1nc(cs1)Cc1nc(no1)[*:1]
Cc1ccc(C)c(CSc2nc(Cc3nc(-c4ncccn4)no3)cs2)c1 Cc1ccc(C)c(c1)[*:1] c1cnc(nc1)-c1noc(Cc2csc(n2)SC[*:1])n1
Cc1cc(C)n2ncc(C(=O)NNC(=O)Cc3ccccc3)c2n1 c1ccc(cc1)C[*:1] Cc1cc(C)n2ncc(C(=O)NNC(=O)[*:1])c2n1
Cc1cc(C)n2ncc(C(=O)NNC(=O)Cc3ccccc3)c2n1 c1ccc(cc1)[*:1] Cc1cc(C)n2ncc(C(=O)NNC(=O)C[*:1])c2n1
c1ccc(Cc2noc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-c1nc(C[*:1])no1
c1ccc(Cc2noc(-c3ccccc3)n2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)Cc1noc(n1)[*:1]
CN(C)C(=O)c1ccc(C(=O)N2CCc3cc(F)ccc3C2)cc1 CN(C)C(=O)[*:1] O=C(c1ccc(cc1)[*:1])N1CCc2cc(F)ccc2C1
CN(CC(F)(F)F)[C@@H]1CC[C@@](C#N)(NC2CC2)C1 FC(F)(F)C[*:1] CN([C@@H]1CC[C@](C#N)(C1)NC1CC1)[*:1]
CN(CC(F)(F)F)[C@@H]1CC[C@@](C#N)(NC2CC2)C1 C1CC1N[*:1] CN(CC(F)(F)F)[C@@H]1CC[C@@](C#N)(C1)[*:1]
CN(CC(F)(F)F)[C@@H]1CC[C@@](C#N)(NC2CC2)C1 C1CC1[*:1] CN(CC(F)(F)F)[C@@H]1CC[C@](C#N)(C1)N[*:1]
CN(CC(F)(F)F)[C@@H]1CC[C@@](C#N)(NC2CC2)C1 FC(F)(F)[*:1] CN(C[*:1])[C@@H]1CC[C@](C#N)(C1)NC1CC1
[NH3+]C1(CC(=O)N[C@@H]2CCCC[C@H]2C(=O)[O-])CCC1 O=C([O-])[*:1] [NH3+]C1(CCC1)CC(=O)N[C@@H]1CCCC[C@@H]1[*:1]
[NH3+]C1(CC(=O)N[C@@H]2CCCC[C@H]2C(=O)[O-])CCC1 [NH3+]C1(CCC1)C[*:1] O=C([O-])[C@@H]1CCCC[C@H]1NC(=O)[*:1]
[NH3+]C1(CC(=O)N[C@@H]2CCCC[C@H]2C(=O)[O-])CCC1 [NH3+]C1(CCC1)[*:1] O=C(C[*:1])N[C@@H]1CCCC[C@H]1C(=O)[O-]
Cc1c([C@H](C)[NH2+][C@@H](CCO)C2CC2)nnn1-c1cccc(Cl)c1 C1CC1[*:1] Cc1c(nnn1-c1cccc(Cl)c1)[C@H](C)[NH2+][C@@H](CCO)[*:1]
Cc1c([C@H](C)[NH2+][C@@H](CCO)C2CC2)nnn1-c1cccc(Cl)c1 OCC[*:1] Cc1c(nnn1-c1cccc(Cl)c1)[C@H](C)[NH2+][C@@H](C1CC1)[*:1]
Cc1c([C@H](C)[NH2+][C@@H](CCO)C2CC2)nnn1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] Cc1c(nnn1[*:1])[C@H](C)[NH2+][C@@H](CCO)C1CC1
O=C(CN1CCc2cc(F)ccc2C1)NCc1cccnc1 c1cncc(c1)C[*:1] O=C(CN1CCc2cc(F)ccc2C1)N[*:1]
O=C(CN1CCc2cc(F)ccc2C1)NCc1cccnc1 c1cncc(c1)[*:1] O=C(CN1CCc2cc(F)ccc2C1)NC[*:1]
COC(=O)CN(Cc1cn(C)nc1-c1cccnc1)C1CCOCC1 C1CC(CCO1)[*:1] COC(=O)CN(Cc1cn(C)nc1-c1cccnc1)[*:1]
COC(=O)CN(Cc1cn(C)nc1-c1cccnc1)C1CCOCC1 COC(=O)C[*:1] Cn1cc(CN(C2CCOCC2)[*:1])c(n1)-c1cccnc1
COC(=O)CN(Cc1cn(C)nc1-c1cccnc1)C1CCOCC1 c1cncc(c1)[*:1] COC(=O)CN(Cc1cn(C)nc1[*:1])C1CCOCC1
COC(=O)CN(Cc1cn(C)nc1-c1cccnc1)C1CCOCC1 COC(=O)[*:1] Cn1cc(CN(C[*:1])C2CCOCC2)c(n1)-c1cccnc1
O=C([O-])c1cc(C(=O)[O-])cc(N2CCCCCC2)c1 O=C([O-])[*:1] O=C([O-])c1cc(cc(c1)[*:1])N1CCCCCC1
CCOCCNC(=O)C(=O)c1c(C)nn(C)c1C CCOC[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)NC[*:1]
CCOCCNC(=O)C(=O)c1c(C)nn(C)c1C CCO[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)NCC[*:1]
CCOCCNC(=O)C(=O)c1c(C)nn(C)c1C CCOCC[*:1] Cc1nn(C)c(C)c1C(=O)C(=O)N[*:1]
O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1C[C@H](O)c1cccc(F)c1 c1ccc(cc1)[*:1] O=c1nc(c(nn1C[C@H](O)c1cccc(F)c1)-c1ccccc1)[*:1]
O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1C[C@H](O)c1cccc(F)c1 c1ccc(cc1)[*:1] O=c1nc(-c2ccccc2)c(nn1C[C@H](O)c1cccc(F)c1)[*:1]
O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1C[C@H](O)c1cccc(F)c1 Fc1cccc(c1)[*:1] O=c1nc(-c2ccccc2)c(nn1C[C@H](O)[*:1])-c1ccccc1
CCOc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1C c1ccc(cc1)[*:1] CCOc1ccc(cc1C)NC(=O)c1c(C)nn(C[*:1])c1C
CCOc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1C CCO[*:1] Cc1cc(ccc1[*:1])NC(=O)c1c(C)nn(Cc2ccccc2)c1C
CCOc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1C c1ccc(cc1)C[*:1] CCOc1ccc(cc1C)NC(=O)c1c(C)nn(c1C)[*:1]
O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc(-n2cnnn2)c1 c1nnnn1[*:1] O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc(c1)[*:1]
O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc(-n2cnnn2)c1 c1ccc(cc1)[*:1] O=C(O[C@H](C(=O)N1CCOCC1)[*:1])c1cccc(c1)-n1cnnn1
O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc(-n2cnnn2)c1 O=C(N1CCOCC1)[*:1] O=C(O[C@H](c1ccccc1)[*:1])c1cccc(c1)-n1cnnn1
C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cc2ccccc2o1 C=CC[*:1] O=C(CSc1nnc(-c2cc3ccccc3o2)n1[*:1])N1CCOCC1
C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cc2ccccc2o1 O=C(N1CCOCC1)[*:1] C=CCn1c(nnc1-c1cc2ccccc2o1)SC[*:1]
C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cc2ccccc2o1 c1ccc2oc(cc2c1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)N1CCOCC1
C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cc2ccccc2o1 O=C(C[*:1])N1CCOCC1 C=CCn1c(nnc1-c1cc2ccccc2o1)S[*:1]
O=C(CCCCc1nc2ccccc2s1)NCc1ccccc1 c1ccc(cc1)C[*:1] O=C(CCCCc1nc2ccccc2s1)N[*:1]
O=C(CCCCc1nc2ccccc2s1)NCc1ccccc1 c1ccc(cc1)[*:1] O=C(CCCCc1nc2ccccc2s1)NC[*:1]
COc1ccc(Cc2nnc(SCC(C)=O)nc2[O-])cc1 CC(=O)CS[*:1] COc1ccc(cc1)Cc1nnc(nc1[O-])[*:1]
COc1ccc(Cc2nnc(SCC(C)=O)nc2[O-])cc1 CC(=O)C[*:1] COc1ccc(cc1)Cc1nnc(nc1[O-])S[*:1]
COc1ccc(Cc2nnc(SCC(C)=O)nc2[O-])cc1 CC(=O)[*:1] COc1ccc(cc1)Cc1nnc(nc1[O-])SC[*:1]
COc1cc(CCNC(=O)c2oc3ccccc3c2C[NH+](C)C)ccc1C COc1cc(ccc1C)[*:1] C[NH+](C)Cc1c(oc2ccccc12)C(=O)NCC[*:1]
Cc1ccc(CNC(=O)CCn2ncc3cc(C)ccc32)cc1 Cc1ccc(cc1)[*:1] Cc1ccc2c(cnn2CCC(=O)NC[*:1])c1
Cc1cccc2c1N(C(=O)[C@H]1CC(=O)N(C(C)C)C1)CCC2 CC(C)[*:1] Cc1cccc2CCCN(C(=O)[C@H]3CC(=O)N(C3)[*:1])c12
NC(=O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 Clc1ccc(cc1)[*:1] NC(=O)COc1ccc(cc1)NC(=O)C1(CCOCC1)[*:1]
NC(=O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 NC(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])C1(CCOCC1)c1ccc(Cl)cc1
NC(=O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 NC(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])C1(CCOCC1)c1ccc(Cl)cc1
NC(=O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])C1(CCOCC1)c1ccc(Cl)cc1
Cc1nc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cs1 Cc1nc(cs1)[*:1] C1CC[C@H]([NH2+]C1)[C@@H]1CCC[C@H]1NC[*:1]
O=C(Nc1ccccc1O)c1cc(-c2ccncc2)nc2ccccc12 c1cc(ccn1)[*:1] O=C(Nc1ccccc1O)c1cc(nc2ccccc12)[*:1]
O=C(Nc1ccccc1O)c1cc(-c2ccncc2)nc2ccccc12 Oc1ccccc1[*:1] O=C(N[*:1])c1cc(nc2ccccc12)-c1ccncc1
CCCCOc1ccc(C(=O)NC[C@@]2(O)CCSC2)cc1 CCCC[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(cc1)O[*:1]
CCCCOc1ccc(C(=O)NC[C@@]2(O)CCSC2)cc1 CCC[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(cc1)OC[*:1]
CCCCOc1ccc(C(=O)NC[C@@]2(O)CCSC2)cc1 CCCCO[*:1] O=C(NC[C@@]1(O)CCSC1)c1ccc(cc1)[*:1]
c1ccc(N2CCN(c3nnc(-c4ccccn4)s3)CC2)cc1 c1ccc(nc1)[*:1] c1ccc(cc1)N1CCN(CC1)c1nnc(s1)[*:1]
c1ccc(N2CCN(c3nnc(-c4ccccn4)s3)CC2)cc1 c1ccc(cc1)[*:1] c1ccc(nc1)-c1nnc(s1)N1CCN(CC1)[*:1]
C#Cc1cccc(NC(=S)NNC(=O)CCc2cc(Cl)cs2)c1 Clc1csc(c1)[*:1] C#Cc1cccc(c1)NC(=S)NNC(=O)CC[*:1]
C#Cc1cccc(NC(=S)NNC(=O)CCc2cc(Cl)cs2)c1 Clc1csc(c1)C[*:1] C#Cc1cccc(c1)NC(=S)NNC(=O)C[*:1]
CCn1nc(C)c(NC(=O)N[C@](C)(COC)c2ccccc2)c1C COC[*:1] CCn1nc(C)c(NC(=O)N[C@](C)(c2ccccc2)[*:1])c1C
CCn1nc(C)c(NC(=O)N[C@](C)(COC)c2ccccc2)c1C c1ccc(cc1)[*:1] CCn1nc(C)c(NC(=O)N[C@](C)(COC)[*:1])c1C
COC(=O)CCC[NH+]1CCN(Cc2coc3ccccc23)CC1 COC(=O)CC[*:1] c1ccc2c(coc2c1)CN1CC[NH+](CC1)C[*:1]
COC(=O)CCC[NH+]1CCN(Cc2coc3ccccc23)CC1 COC(=O)CCC[*:1] c1ccc2c(coc2c1)CN1CC[NH+](CC1)[*:1]
COC(=O)CCC[NH+]1CCN(Cc2coc3ccccc23)CC1 COC(=O)[*:1] c1ccc2c(coc2c1)CN1CC[NH+](CCC[*:1])CC1
COC(=O)CCC[NH+]1CCN(Cc2coc3ccccc23)CC1 COC(=O)C[*:1] c1ccc2c(coc2c1)CN1CC[NH+](CC1)CC[*:1]
COC(=O)C(C)(C)Cn1ccnc1C[NH3+] COC(=O)[*:1] CC(C)(Cn1ccnc1C[NH3+])[*:1]
C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@]1(O)CCOC1 Fc1ccc(cc1)[*:1] C[C@@H](CC(=O)N[*:1])[NH2+]C[C@]1(O)CCOC1
N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1[*:1] N#Cc1nc(oc1N1CC[NH+](CCO[*:1])CC1)-c1ccco1
N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 c1coc(c1)[*:1] N#Cc1nc(oc1N1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1)[*:1]
N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 Clc1cccc(Cl)c1O[*:1] N#Cc1nc(oc1N1CC[NH+](CC1)CC[*:1])-c1ccco1
N#Cc1ccc(C(F)(F)F)nc1OC1CCC([NH3+])CC1 FC(F)(F)[*:1] N#Cc1ccc(nc1OC1CCC([NH3+])CC1)[*:1]
C=CCN1C(=O)c2ccccc2N[C@H]1c1cnc(-c2cccnc2)s1 c1cncc(c1)[*:1] C=CCN1C(=O)c2ccccc2N[C@H]1c1cnc(s1)[*:1]
C=CCN1C(=O)c2ccccc2N[C@H]1c1cnc(-c2cccnc2)s1 C=CC[*:1] O=C1c2ccccc2N[C@@H](c2cnc(s2)-c2cccnc2)N1[*:1]
CC(C)n1ncc2cc(/C=C/C(=O)Nc3cc(F)cc(F)c3)c(=O)[nH]c21 Fc1cc(F)cc(c1)[*:1] CC(C)n1ncc2cc(/C=C/C(=O)N[*:1])c(=O)[nH]c21
CC(C)n1ncc2cc(/C=C/C(=O)Nc3cc(F)cc(F)c3)c(=O)[nH]c21 CC(C)[*:1] O=C(/C=C/c1cc2cnn(c2[nH]c1=O)[*:1])Nc1cc(F)cc(F)c1
COC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 COC(=O)[*:1] O=C(N[C@H](c1ccccc1)[*:1])C(c1ccccc1)c1ccccc1
COC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)C(c1ccccc1)[*:1])c1ccccc1
COC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O Brc1ccccc1[*:1] CN(Cc1cnn(c1)-c1ccccc1)CN1C(=O)N[C@](C)(C1=O)[*:1]
CN(Cc1cnn(-c2ccccc2)c1)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O c1ccc(cc1)[*:1] CN(Cc1cnn(c1)[*:1])CN1C(=O)N[C@@](C)(C1=O)c1ccccc1Br
Cn1ncc(C(=O)[O-])c1C(=O)N1CCN(S(C)(=O)=O)CC1 O=C([O-])[*:1] Cn1ncc(c1C(=O)N1CCN(CC1)S(C)(=O)=O)[*:1]
COc1cccc(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c1 CC(C)C[*:1] COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
COc1cccc(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c1 CC(C)[*:1] COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(CC[*:1])c(=O)n1C
COc1cccc(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c1 COc1cccc(c1)[*:1] CC(C)CCn1c(=O)c2c(nc3N(CCn32)[*:1])n(C)c1=O
COc1cccc(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c1 CC(C)CC[*:1] COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
O=C(O[C@H]1CCC[C@H](C(F)(F)F)C1)c1occc1Br Brc1ccoc1[*:1] O=C(O[C@H]1CCC[C@@H](C1)C(F)(F)F)[*:1]
O=C(O[C@H]1CCC[C@H](C(F)(F)F)C1)c1occc1Br FC(F)(F)[*:1] O=C(O[C@H]1CCC[C@H](C1)[*:1])c1occc1Br
CC(C)(C)c1ncc(NC(=O)c2c[nH]c3cccc(F)c23)cn1 CC(C)(C)[*:1] O=C(Nc1cnc(nc1)[*:1])c1c[nH]c2cccc(F)c12
CC[NH+](CCO)CCn1c(=O)oc2cccnc21 OCC[*:1] CC[NH+](CCn1c(=O)oc2cccnc21)[*:1]
Cc1noc(COCC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)n1 Cc1noc(C[*:1])n1 O=C(CO[*:1])N[C@@H]1CCCN(C1=O)c1ccccc1F
Cc1noc(COCC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)n1 Cc1noc(n1)[*:1] O=C(COC[*:1])N[C@@H]1CCCN(C1=O)c1ccccc1F
Cc1noc(COCC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)n1 Cc1noc(CO[*:1])n1 O=C(C[*:1])N[C@@H]1CCCN(C1=O)c1ccccc1F
Cc1noc(COCC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)n1 Fc1ccccc1[*:1] Cc1noc(COCC(=O)N[C@@H]2CCCN(C2=O)[*:1])n1
Cc1ccc(N)cc1O[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 CS(=O)(=O)[*:1] Cc1ccc(N)cc1O[C@@H]1CCC[C@@H](C1)[*:1]
CCO[C@@H](C)c1nc(C)c(C(=O)Nc2cc(C(C)(C)C)n[nH]2)s1 CC(C)(C)[*:1] CCO[C@@H](C)c1nc(C)c(s1)C(=O)Nc1cc(n[nH]1)[*:1]
CCO[C@@H](C)c1nc(C)c(C(=O)Nc2cc(C(C)(C)C)n[nH]2)s1 CCO[*:1] Cc1nc(sc1C(=O)Nc1cc(n[nH]1)C(C)(C)C)[C@H](C)[*:1]
CCO[C@@H](C)c1nc(C)c(C(=O)Nc2cc(C(C)(C)C)n[nH]2)s1 CCO[C@@H](C)[*:1] Cc1nc(sc1C(=O)Nc1cc(n[nH]1)C(C)(C)C)[*:1]
S=C(NCc1ccco1)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 c1coc(c1)C[*:1] S=C(Nc1ccn(n1)C12CC3CC(CC(C3)C1)C2)N[*:1]
S=C(NCc1ccco1)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 c1coc(c1)[*:1] S=C(NC[*:1])Nc1ccn(n1)C12CC3CC(CC(C3)C1)C2
C[C@H]1CCCCN1C(=O)c1cnn2c(-c3ccccc3)ccnc12 c1ccc(cc1)[*:1] C[C@H]1CCCCN1C(=O)c1cnn2c(ccnc12)[*:1]
N#Cc1ccc([C@@H]2SCC(=O)N2CCN2CCOCC2)cc1 C1CN(CCO1)C[*:1] N#Cc1ccc(cc1)[C@@H]1SCC(=O)N1C[*:1]
N#Cc1ccc([C@@H]2SCC(=O)N2CCN2CCOCC2)cc1 C1CN(CCO1)[*:1] N#Cc1ccc(cc1)[C@@H]1SCC(=O)N1CC[*:1]
CCOc1ccc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)nc1 CCO[*:1] C[C@H]1CN(Cc2ccc(cn2)[*:1])[C@H](CO1)c1ccccc1
CCOc1ccc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)nc1 c1ccc(cc1)[*:1] CCOc1ccc(CN2C[C@H](C)OC[C@H]2[*:1])nc1
N#Cc1cc(-c2ccccc2)oc1/N=C/c1ccc(Cl)cc1 c1ccc(cc1)[*:1] N#Cc1cc(oc1/N=C/c1ccc(Cl)cc1)[*:1]
N#Cc1cc(-c2ccccc2)oc1/N=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] N#Cc1cc(oc1N=C[*:1])-c1ccccc1
CC(=O)Oc1ccccc1NC(=O)c1cccc2c(Br)cccc12 CC(=O)O[*:1] O=C(Nc1ccccc1[*:1])c1cccc2c(Br)cccc12
CC(C)NC(=O)N1CCCN(S(=O)(=O)C(C)C)CC1 CC(C)[*:1] CC(C)S(=O)(=O)N1CCCN(CC1)C(=O)N[*:1]
CC(C)NC(=O)N1CCCN(S(=O)(=O)C(C)C)CC1 CC(C)[*:1] CC(C)NC(=O)N1CCCN(CC1)S(=O)(=O)[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N(Cc2cccs2)C2CC2)C1 CC[S@@](=O)[*:1] O=C(N[C@H]1CCC[C@H](C1)[*:1])N(Cc1cccs1)C1CC1
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N(Cc2cccs2)C2CC2)C1 c1csc(c1)C[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N(C1CC1)[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N(Cc2cccs2)C2CC2)C1 C1CC1[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N(Cc1cccs1)[*:1]
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N(Cc2cccs2)C2CC2)C1 c1csc(c1)[*:1] CC[S@@](=O)[C@@H]1CCC[C@@H](C1)NC(=O)N(C[*:1])C1CC1
O=c1cc(CNC2(c3nccs3)CCCC2)occ1[O-] c1csc(n1)[*:1] O=c1cc(CNC2(CCCC2)[*:1])occ1[O-]
CCOC(=O)c1sc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)nc1[O-] FC(F)(F)[*:1] CCOC(=O)c1sc(nc1[O-])SCC(=O)N1c2ccccc2NC(=O)C[C@@H]1[*:1]
CCOC(=O)c1sc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)nc1[O-] CCOC(=O)[*:1] O=C1C[C@H](N(C(=O)CSc2nc([O-])c(s2)[*:1])c2ccccc2N1)C(F)(F)F
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccnn1C1CCCC1 C1CCC(C1)[*:1] O=C(CC(c1ccccc1)c1ccccc1)Nc1ccnn1[*:1]
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccnn1C1CCCC1 c1ccc(cc1)[*:1] O=C(CC(c1ccccc1)[*:1])Nc1ccnn1C1CCCC1
COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1cccnc1C Cc1ncccc1[*:1] COc1ccc2c(c1)CCC[C@H]2CC(=O)N[*:1]
CC[C@@](C)(NCc1ncc(-c2ccccc2)o1)c1nccs1 c1csc(n1)[*:1] CC[C@@](C)(NCc1ncc(o1)-c1ccccc1)[*:1]
CC[C@@](C)(NCc1ncc(-c2ccccc2)o1)c1nccs1 c1ccc(cc1)[*:1] CC[C@@](C)(NCc1ncc(o1)[*:1])c1nccs1
CC(C)Nc1cccc(C(=O)NC[C@@H](O)c2cccc(F)c2)c1 Fc1cccc(c1)[*:1] CC(C)Nc1cccc(c1)C(=O)NC[C@@H](O)[*:1]
CC(C)Nc1cccc(C(=O)NC[C@@H](O)c2cccc(F)c2)c1 CC(C)[*:1] O=C(NC[C@@H](O)c1cccc(F)c1)c1cccc(c1)N[*:1]
CC(C)Nc1cccc(C(=O)NC[C@@H](O)c2cccc(F)c2)c1 CC(C)N[*:1] O=C(NC[C@@H](O)c1cccc(F)c1)c1cccc(c1)[*:1]
C/C=C/C(=N\NC(N)=O)[C@H]1C(C)=CCCC1(C)C CC=C[*:1] CC1=CCCC(C)(C)[C@H]1/C(=N/NC(N)=O)[*:1]
C[C@H](NC(=O)c1ccc(-c2cncnc2)nc1)c1ccccc1 c1ncc(cn1)[*:1] C[C@H](NC(=O)c1ccc(nc1)[*:1])c1ccccc1
C[C@H](NC(=O)c1ccc(-c2cncnc2)nc1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)c1ccc(nc1)-c1cncnc1)[*:1]
C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3F)n2)C(C)(C)CO1 Fc1ccccc1[*:1] C[C@@H]1CN(C(=O)c2ccn(n2)[*:1])C(C)(C)CO1
C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC(=O)N2 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)N[*:1])c1ccc2NC(=O)CCc2c1
COCCN1CCN(C(=O)N[C@H](C)c2ccccc2Cl)CC1=O COCC[*:1] C[C@@H](NC(=O)N1CCN(C(=O)C1)[*:1])c1ccccc1Cl
COCCN1CCN(C(=O)N[C@H](C)c2ccccc2Cl)CC1=O Clc1ccccc1[*:1] COCCN1CCN(CC1=O)C(=O)N[C@H](C)[*:1]
COCCN1CCN(C(=O)N[C@H](C)c2ccccc2Cl)CC1=O COC[*:1] C[C@@H](NC(=O)N1CCN(C[*:1])C(=O)C1)c1ccccc1Cl
N#C/C(C(=O)N/N=C/c1cccc(O)c1)=C1\CCc2ccccc21 Oc1cccc(c1)[*:1] N#C/C(C(=O)NN=C[*:1])=C1\CCc2ccccc21
CCONC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 CCONC(=O)[*:1] FC(F)(F)c1cc(C=C[*:1])ccc1Cl
CCONC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 FC(F)(F)[*:1] CCONC(=O)/C=C/c1ccc(Cl)c(c1)[*:1]
O=c1[nH]/c(=C(/Br)c2ccccc2)c(=O)[nH]/c1=C(\Br)c1ccccc1 c1ccc(cc1)[*:1] O=c1[nH]/c(=C(/Br)[*:1])c(=O)[nH]/c1=C(\Br)c1ccccc1
COc1cccc([C@H](O)CNC(=O)NCc2cccc([N+]3=CCCC3)c2)c1 COc1cccc(c1)[*:1] O=C(NCc1cccc(c1)[N+]1=CCCC1)NC[C@@H](O)[*:1]
COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cc(C)ccc2C)o1 Cc1ccc(C)c(c1)[*:1] COc1cc(ccc1-c1ccc(o1)C(=O)N[*:1])[N+](=O)[O-]
COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cc(C)ccc2C)o1 O=[N+]([O-])[*:1] COc1cc(ccc1-c1ccc(o1)C(=O)Nc1cc(C)ccc1C)[*:1]
CSc1ccc(CNC(=O)c2cnc3sc4c(n3c2=O)CCC4)cc1 CSc1ccc(cc1)[*:1] O=C(NC[*:1])c1cnc2sc3CCCc3n2c1=O
COc1ccc(C2(CNS(=O)(=O)/C=C/c3ccccc3)CCCC2)cc1 C(=C[*:1])c1ccccc1 COc1ccc(cc1)C1(CCCC1)CNS(=O)(=O)[*:1]
COc1ccc(C2(CNS(=O)(=O)/C=C/c3ccccc3)CCCC2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)C1(CCCC1)CNS(=O)(=O)C=C[*:1]
COc1ccc(C2(CNS(=O)(=O)/C=C/c3ccccc3)CCCC2)cc1 COc1ccc(cc1)[*:1] O=S(=O)(/C=C/c1ccccc1)NCC1(CCCC1)[*:1]
Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccccn2)n1 Cc1nccn1[*:1] c1ccc(CN2CCC[C@H]2c2cccc(n2)[*:1])nc1
Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccccn2)n1 c1ccc(C[*:1])nc1 Cc1nccn1-c1cccc(n1)[C@@H]1CCCN1[*:1]
Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccccn2)n1 c1ccc(nc1)[*:1] Cc1nccn1-c1cccc(n1)[C@@H]1CCCN1C[*:1]
CC[NH2+][C@@H]1[C@H](N2CC[NH+]([C@@H](C)CC)CC2)CCCC1(C)C CC[C@H](C)[*:1] CC[NH2+][C@@H]1[C@@H](CCCC1(C)C)N1CC[NH+](CC1)[*:1]
CCC(=O)NC(=S)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)[*:1] CCC(=O)NC(=S)Nc1ccc(cc1)O[*:1]
CCC(=O)NC(=S)Nc1ccc(Oc2ccccc2)cc1 c1ccc(cc1)O[*:1] CCC(=O)NC(=S)Nc1ccc(cc1)[*:1]
O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1cccnc1 c1ccc(cc1)[*:1] O=C(NC[C@@](O)(C1CC1)[*:1])c1cccnc1
O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1cccnc1 C1CC1[*:1] O=C(NC[C@@](O)(c1ccccc1)[*:1])c1cccnc1
O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1cccnc1 c1cncc(c1)[*:1] O=C(NC[C@@](O)(c1ccccc1)C1CC1)[*:1]
Cc1noc([C@H]2CN(C(=O)c3ccncc3)CCO2)n1 c1cc(ccn1)[*:1] Cc1noc(n1)[C@H]1CN(CCO1)C(=O)[*:1]
Cc1noc([C@H]2CN(C(=O)c3ccncc3)CCO2)n1 Cc1noc(n1)[*:1] O=C(c1ccncc1)N1CCO[C@H](C1)[*:1]
CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1nc(-c2cccs2)no1 c1csc(c1)[*:1] CCc1nc2[C@H](CCCn2n1)N[C@@H](C)c1nc(no1)[*:1]
Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccc(F)cc3)CC2)cc1 Cc1ccc(cc1)C(=O)N[*:1] Fc1ccc(cc1)N1CCN(CC1)[C@@H](C[*:1])c1ccc2OCOc2c1
Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccc(F)cc3)CC2)cc1 Fc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NC[C@@H](c1ccc2OCOc2c1)N1CCN(CC1)[*:1]
Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccc(F)cc3)CC2)cc1 c1cc2OCOc2cc1[*:1] Cc1ccc(cc1)C(=O)NC[C@@H](N1CCN(CC1)c1ccc(F)cc1)[*:1]
Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccc(F)cc3)CC2)cc1 Cc1ccc(cc1)C(=O)NC[*:1] Fc1ccc(cc1)N1CCN(CC1)[C@H](c1ccc2OCOc2c1)[*:1]
Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccc(F)cc3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H](c1ccc2OCOc2c1)N1CCN(CC1)c1ccc(F)cc1)[*:1]
COc1ccc2cc([C@H](C)OC(=O)CCc3cnn(C)c3)ccc2c1 Cn1cc(cn1)C[*:1] COc1ccc2cc(ccc2c1)[C@H](C)OC(=O)C[*:1]
COc1ccc2cc([C@H](C)OC(=O)CCc3cnn(C)c3)ccc2c1 Cn1cc(cn1)CC[*:1] COc1ccc2cc(ccc2c1)[C@H](C)OC(=O)[*:1]
COc1ccc2cc([C@H](C)OC(=O)CCc3cnn(C)c3)ccc2c1 Cn1cc(cn1)[*:1] COc1ccc2cc(ccc2c1)[C@H](C)OC(=O)CC[*:1]
Cc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)c(C)n1 c1ccc(cc1)[*:1] Cc1ccc(C(=O)N(CC(F)F)C[*:1])c(C)n1
Cc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)c(C)n1 FC(F)C[*:1] Cc1ccc(C(=O)N(Cc2ccccc2)[*:1])c(C)n1
Cc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)c(C)n1 FC(F)[*:1] Cc1ccc(C(=O)N(Cc2ccccc2)C[*:1])c(C)n1
Cc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)c(C)n1 c1ccc(cc1)C[*:1] Cc1ccc(C(=O)N(CC(F)F)[*:1])c(C)n1
CCOc1ncnc(N2CCCC[C@@H]2CC)c1N CCO[*:1] CC[C@H]1CCCCN1c1ncnc(c1N)[*:1]
CCOc1cc(-c2nc(-c3ccccc3O)n[nH]2)ccc1OC Oc1ccccc1[*:1] CCOc1cc(ccc1OC)-c1nc(n[nH]1)[*:1]
CCOc1cc(-c2nc(-c3ccccc3O)n[nH]2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])-c1nc(n[nH]1)-c1ccccc1O
COC(=O)[C@@H](C)SCC(=O)N(C)[C@@H](C)c1cccs1 COC(=O)[*:1] C[C@@H](c1cccs1)N(C)C(=O)CS[C@H](C)[*:1]
COC(=O)[C@@H](C)SCC(=O)N(C)[C@@H](C)c1cccs1 c1csc(c1)[*:1] COC(=O)[C@@H](C)SCC(=O)N(C)[C@@H](C)[*:1]
COC(=O)[C@@H](C)SCC(=O)N(C)[C@@H](C)c1cccs1 COC(=O)[C@@H](C)[*:1] C[C@@H](c1cccs1)N(C)C(=O)CS[*:1]
CC(C)(C)NC(=O)CC1(C(=O)NCc2ccc(Cl)cc2)CCCC1 CC(C)(C)NC(=O)C[*:1] O=C(NCc1ccc(Cl)cc1)C1(CCCC1)[*:1]
CC(C)(C)NC(=O)CC1(C(=O)NCc2ccc(Cl)cc2)CCCC1 CC(C)(C)NC(=O)[*:1] O=C(NCc1ccc(Cl)cc1)C1(CCCC1)C[*:1]
CC(C)(C)NC(=O)CC1(C(=O)NCc2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)C[*:1] CC(C)(C)NC(=O)CC1(CCCC1)C(=O)N[*:1]
CC(C)(C)NC(=O)CC1(C(=O)NCc2ccc(Cl)cc2)CCCC1 CC(C)(C)[*:1] O=C(CC1(CCCC1)C(=O)NCc1ccc(Cl)cc1)N[*:1]
CC(C)(C)NC(=O)CC1(C(=O)NCc2ccc(Cl)cc2)CCCC1 Clc1ccc(cc1)[*:1] CC(C)(C)NC(=O)CC1(CCCC1)C(=O)NC[*:1]
O=C([O-])CN1C(=O)/C(=C\c2c(F)cccc2Cl)Oc2ccccc21 O=C([O-])C[*:1] O=C1/C(=C\c2c(F)cccc2Cl)Oc2ccccc2N1[*:1]
O=C([O-])CN1C(=O)/C(=C\c2c(F)cccc2Cl)Oc2ccccc21 Fc1cccc(Cl)c1[*:1] O=C([O-])CN1C(=O)C(=C[*:1])Oc2ccccc21
O=C([O-])CN1C(=O)/C(=C\c2c(F)cccc2Cl)Oc2ccccc21 O=C([O-])[*:1] O=C1/C(=C\c2c(F)cccc2Cl)Oc2ccccc2N1C[*:1]
CC1=C(C)C[C@@H](C(=O)NCc2cccnc2)[C@H](C(=O)[O-])C1 O=C([O-])[*:1] CC1C[C@@H](C(=O)NCc2cccnc2)[C@H](CC=1C)[*:1]
CC1=C(C)C[C@@H](C(=O)NCc2cccnc2)[C@H](C(=O)[O-])C1 c1cncc(c1)C[*:1] CC1C[C@@H](C(=O)[O-])[C@@H](CC=1C)C(=O)N[*:1]
CC1=C(C)C[C@@H](C(=O)NCc2cccnc2)[C@H](C(=O)[O-])C1 c1cncc(c1)[*:1] CC1C[C@@H](C(=O)[O-])[C@@H](CC=1C)C(=O)NC[*:1]
CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccn2)C(C)C)cc1 CCNS(=O)(=O)[*:1] CC(C)[C@@H](NC(=O)c1ccc(cc1)[*:1])c1ccccn1
CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccn2)C(C)C)cc1 c1ccc(nc1)[*:1] CCNS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)[*:1]
CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccn2)C(C)C)cc1 CC(C)[*:1] CCNS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](c1ccccn1)[*:1]
CCc1ccc(C(C)(C)CNC(=O)c2cn(CC(N)=O)nn2)cc1 NC(=O)C[*:1] CCc1ccc(cc1)C(C)(C)CNC(=O)c1cn(nn1)[*:1]
CCc1ccc(C(C)(C)CNC(=O)c2cn(CC(N)=O)nn2)cc1 NC(=O)[*:1] CCc1ccc(cc1)C(C)(C)CNC(=O)c1cn(C[*:1])nn1
CCc1ccc(C(C)(C)CNC(=O)c2cn(CC(N)=O)nn2)cc1 CCc1ccc(cc1)[*:1] CC(C)(CNC(=O)c1cn(CC(N)=O)nn1)[*:1]
CC(C)(C)OC(=O)CSC#N N#CS[*:1] CC(C)(C)OC(=O)C[*:1]
Cn1c(CCNC(=O)Cc2cccc(O)c2)nc2cc(F)ccc21 Oc1cccc(c1)[*:1] Cn1c(CCNC(=O)C[*:1])nc2cc(F)ccc21
Cn1c(CCNC(=O)Cc2cccc(O)c2)nc2cc(F)ccc21 Oc1cccc(c1)C[*:1] Cn1c(CCNC(=O)[*:1])nc2cc(F)ccc21
CC(C)C[C@H]([NH3+])[C@@H]1CCOC2(CCCC2)C1 CC(C)C[*:1] [NH3+][C@H]([C@@H]1CCOC2(CCCC2)C1)[*:1]
CC(C)C[C@H]([NH3+])[C@@H]1CCOC2(CCCC2)C1 CC(C)[*:1] [NH3+][C@@H](C[*:1])[C@@H]1CCOC2(CCCC2)C1
C#CCN1C(=O)N=C(N)[C@@H]1c1ccc2c(c1)OCCCO2 C#CC[*:1] NC1=NC(=O)N([C@H]1c1ccc2OCCCOc2c1)[*:1]
Cc1ccc(-c2nc(NC(=O)c3nccn4ccnc34)sc2C)cc1 Cc1ccc(cc1)[*:1] Cc1sc(nc1[*:1])NC(=O)c1nccn2ccnc12
C=C(Br)CN1CCN([C@H](C)C(=O)N2CCCCC2)CC1 C=C(Br)[*:1] C[C@H](C(=O)N1CCCCC1)N1CCN(CC1)C[*:1]
C=C(Br)CN1CCN([C@H](C)C(=O)N2CCCCC2)CC1 C=C(Br)C[*:1] C[C@H](C(=O)N1CCCCC1)N1CCN(CC1)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)N(C)[C@H](C)Cc1cccs1 CCC[*:1] C[C@@H](C(=O)N(C)[C@H](C)Cc1cccs1)S(=O)(=O)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)[*:1] CCCS(=O)(=O)[C@@H](C)C(=O)N(C)[C@H](C)C[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)N(C)[C@H](C)Cc1cccs1 CCCS(=O)(=O)[*:1] C[C@@H](C(=O)N(C)[C@H](C)Cc1cccs1)[*:1]
CCCS(=O)(=O)[C@@H](C)C(=O)N(C)[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] CCCS(=O)(=O)[C@@H](C)C(=O)N(C)[C@H](C)[*:1]
COc1ccc([C@H](C(=O)[O-])N2CCOCC2)c(OC)n1 C1CN(CCO1)[*:1] COc1ccc(c(n1)OC)[C@H](C(=O)[O-])[*:1]
COc1ccc([C@H](C(=O)[O-])N2CCOCC2)c(OC)n1 O=C([O-])[*:1] COc1ccc(c(n1)OC)[C@H](N1CCOCC1)[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccccc2)c1 Brc1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1C(C(=O)[*:1])=C([O-])C(=O)N1c1ccccc1
COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccccc2)c1 COc1cccc(c1)[*:1] O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1[*:1])c1ccc(Br)cc1
COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccccc2)c1 O=C(c1ccc(Br)cc1)[*:1] COc1cccc(c1)[C@@H]1C(=C([O-])C(=O)N1c1ccccc1)[*:1]
COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccccc2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)[C@@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1[*:1]
CC(=O)Nc1cc(C(=O)N2CCSC(C)(C)C2)ccc1C CC(=O)N[*:1] Cc1ccc(cc1[*:1])C(=O)N1CCSC(C)(C)C1
CC[C@@H](CSC)N(C)C(=O)Nc1nnc(/C=C/c2ccco2)s1 C(=C[*:1])c1ccco1 CC[C@@H](CSC)N(C)C(=O)Nc1nnc(s1)[*:1]
CC[C@@H](CSC)N(C)C(=O)Nc1nnc(/C=C/c2ccco2)s1 CSC[*:1] CC[C@@H](N(C)C(=O)Nc1nnc(/C=C/c2ccco2)s1)[*:1]
CC[C@@H](CSC)N(C)C(=O)Nc1nnc(/C=C/c2ccco2)s1 c1coc(c1)[*:1] CC[C@@H](CSC)N(C)C(=O)Nc1nnc(C=C[*:1])s1
C#CCNCC(=O)N(C)C[C@@H](O)COC C#CCNC[*:1] COC[C@H](O)CN(C)C(=O)[*:1]
C#CCNCC(=O)N(C)C[C@@H](O)COC C#CC[*:1] COC[C@H](O)CN(C)C(=O)CN[*:1]
C#CCNCC(=O)N(C)C[C@@H](O)COC COC[*:1] C#CCNCC(=O)N(C)C[C@@H](O)[*:1]
C#CCNCC(=O)N(C)C[C@@H](O)COC COC[C@H](O)[*:1] C#CCNCC(=O)N(C)C[*:1]
C#CCNCC(=O)N(C)C[C@@H](O)COC C#CCN[*:1] COC[C@H](O)CN(C)C(=O)C[*:1]
C[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 Fc1ccc(cc1F)[*:1] C[C@@H]([NH2+]CCO[*:1])c1ccc2[nH]c(=O)[nH]c2c1
CC(C)c1cccc(N[C@@H]2CC(=O)N(C)C2=O)c1 CC(C)[*:1] CN1C(=O)C[C@@H](Nc2cccc(c2)[*:1])C1=O
Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O Fc1cc(F)cc(c1)C[*:1] Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(nnn2[*:1])c1=O
Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O Cc1c(Cl)cccc1[*:1] O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)N[*:1]
Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O Fc1cc(F)cc(c1)[*:1] Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(nnn2C[*:1])c1=O
CCCCCC(=O)Nn1cnc2sc3c(c2c1=O)CCCC3 CCCC[*:1] O=C(C[*:1])Nn1cnc2sc3CCCCc3c2c1=O
CCCCCC(=O)Nn1cnc2sc3c(c2c1=O)CCCC3 CCCCC[*:1] O=C(Nn1cnc2sc3CCCCc3c2c1=O)[*:1]
CCCCCC(=O)Nn1cnc2sc3c(c2c1=O)CCCC3 CCC[*:1] O=C(CC[*:1])Nn1cnc2sc3CCCCc3c2c1=O
COC(=O)C(=NNc1ccc(-n2nc(C)cc2C)cc1)C(=O)OC Cc1cc(C)n(n1)[*:1] COC(=O)C(=NNc1ccc(cc1)[*:1])C(=O)OC
CC[NH+]1CCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 C1CN(CCO1)[*:1] CC[NH+]1CCN(CC1)CC(=O)Nc1ccc(cc1)C[*:1]
CC[NH+]1CCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 C1CN(CCO1)C[*:1] CC[NH+]1CCN(CC1)CC(=O)Nc1ccc(cc1)[*:1]
CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCC[NH2+]2)cc1 CC(C)(C)[*:1] O=C(Nc1ccc(cc1)[C@H]1CCCC[NH2+]1)O[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1nc2ccc(F)cc2[nH]1 CC(C)(C)[*:1] O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CCCN1C(=O)O[*:1]
C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)[O-] O=C([O-])[*:1] C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC[*:1]
C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)[O-] O=C([O-])C[*:1] C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC[*:1]
C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)[O-] O=C([O-])CC[*:1] C[C@]12CCC(=O)N1c1ccccc1C(=O)N2C[*:1]
C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)[O-] O=C([O-])CCC[*:1] C[C@]12CCC(=O)N1c1ccccc1C(=O)N2[*:1]
COC(=O)NCCOC(=O)/C=C/c1ccc2ccccc2n1 COC(=O)N[*:1] O=C(/C=C/c1ccc2ccccc2n1)OCC[*:1]
COC(=O)NCCOC(=O)/C=C/c1ccc2ccccc2n1 COC(=O)NC[*:1] O=C(/C=C/c1ccc2ccccc2n1)OC[*:1]
COC(=O)NCCOC(=O)/C=C/c1ccc2ccccc2n1 COC(=O)NCC[*:1] O=C(/C=C/c1ccc2ccccc2n1)O[*:1]
CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCN1CCO[C@H](C)C1 NC(=O)[*:1] CC[NH2+][C@]1(CCC[C@@H]1CCN1CCO[C@H](C)C1)[*:1]
CC(C)C[C@H](C)N[C@@H](c1ccccc1)c1ccccn1 CC(C)C[*:1] C[C@H](N[C@@H](c1ccccc1)c1ccccn1)[*:1]
CC(C)C[C@H](C)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)C[C@H](C)N[C@@H](c1ccccc1)[*:1]
CC(C)C[C@H](C)N[C@@H](c1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] CC(C)C[C@H](C)N[C@@H](c1ccccn1)[*:1]
CC(C)C[C@H](C)N[C@@H](c1ccccc1)c1ccccn1 CC(C)C[C@H](C)[*:1] c1ccc(cc1)[C@H](N[*:1])c1ccccn1
CC(C)C[C@H](C)N[C@@H](c1ccccc1)c1ccccn1 CC(C)[*:1] C[C@@H](C[*:1])N[C@@H](c1ccccc1)c1ccccn1
CNS(=O)(=O)c1cc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(C)o1 CNS(=O)(=O)[*:1] Cc1oc(cc1C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[*:1]
CC(C)(C)c1ccc(C[n+]2c(N)n(CCOc3ccccc3)c3ccccc32)cc1 CC(C)(C)[*:1] Nc1n(CCOc2ccccc2)c2ccccc2[n+]1Cc1ccc(cc1)[*:1]
CC(C)(C)c1ccc(C[n+]2c(N)n(CCOc3ccccc3)c3ccccc32)cc1 c1ccc(cc1)OC[*:1] CC(C)(C)c1ccc(cc1)C[n+]1c(N)n(C[*:1])c2ccccc21
CC(C)(C)c1ccc(C[n+]2c(N)n(CCOc3ccccc3)c3ccccc32)cc1 c1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C[n+]1c(N)n(CCO[*:1])c2ccccc21
CC(C)(C)c1ccc(C[n+]2c(N)n(CCOc3ccccc3)c3ccccc32)cc1 CC(C)(C)c1ccc(cc1)[*:1] Nc1n(CCOc2ccccc2)c2ccccc2[n+]1C[*:1]
CC(C)(C)c1ccc(C[n+]2c(N)n(CCOc3ccccc3)c3ccccc32)cc1 c1ccc(cc1)O[*:1] CC(C)(C)c1ccc(cc1)C[n+]1c(N)n(CC[*:1])c2ccccc21
CC(C)(C)c1ccc(C[n+]2c(N)n(CCOc3ccccc3)c3ccccc32)cc1 c1ccc(cc1)OCC[*:1] CC(C)(C)c1ccc(cc1)C[n+]1c(N)n(c2ccccc21)[*:1]
Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 Cc1cccnc1[*:1] Cc1cc(cc(n1)[C@@H]1CCCN(C1)S(=O)(=O)N(C)C)N[*:1]
Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 Cc1cccnc1N[*:1] Cc1cc(cc(n1)[C@@H]1CCCN(C1)S(=O)(=O)N(C)C)[*:1]
COc1ccc(C(=O)N(CC[NH+]2CCOCC2)c2nc3ccc(F)cc3s2)cc1 COc1ccc(cc1)[*:1] O=C(N(CC[NH+]1CCOCC1)c1nc2ccc(F)cc2s1)[*:1]
CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C#N)cc2)c1 N#Cc1ccc(cc1)[*:1] CC[C@H](C#N)Oc1cccc(c1)CNC(=O)N[*:1]
O=C(N1CCN(C2CC2)C[C@@H]1c1ccccc1)C1(c2cccs2)CCCC1 c1ccc(cc1)[*:1] O=C(N1CCN(C[C@H]1[*:1])C1CC1)C1(CCCC1)c1cccs1
O=C(N1CCN(C2CC2)C[C@@H]1c1ccccc1)C1(c2cccs2)CCCC1 c1csc(c1)[*:1] O=C(N1CCN(C[C@@H]1c1ccccc1)C1CC1)C1(CCCC1)[*:1]
O=C(N1CCN(C2CC2)C[C@@H]1c1ccccc1)C1(c2cccs2)CCCC1 C1CC1[*:1] O=C(N1CCN(C[C@@H]1c1ccccc1)[*:1])C1(CCCC1)c1cccs1
Cc1cnc(CN2CCO[C@H](CN(C)c3cccn[nH+]3)C2)o1 Cc1cnc(o1)[*:1] CN(C[C@@H]1CN(CCO1)C[*:1])c1cccn[nH+]1
Cc1cnc(CN2CCO[C@H](CN(C)c3cccn[nH+]3)C2)o1 Cc1cnc(C[*:1])o1 CN(C[C@@H]1CN(CCO1)[*:1])c1cccn[nH+]1
CCN(CC)S(=O)(=O)c1ccc2nc(CSc3ccccn3)[nH]c2c1 CCN(CC)S(=O)(=O)[*:1] c1ccc(nc1)SCc1nc2ccc(cc2[nH]1)[*:1]
CCN(CC)S(=O)(=O)c1ccc2nc(CSc3ccccn3)[nH]c2c1 c1ccc(nc1)SC[*:1] CCN(CC)S(=O)(=O)c1ccc2nc([nH]c2c1)[*:1]
CCN(CC)S(=O)(=O)c1ccc2nc(CSc3ccccn3)[nH]c2c1 c1ccc(nc1)S[*:1] CCN(CC)S(=O)(=O)c1ccc2nc(C[*:1])[nH]c2c1
CCN(CC)S(=O)(=O)c1ccc2nc(CSc3ccccn3)[nH]c2c1 c1ccc(nc1)[*:1] CCN(CC)S(=O)(=O)c1ccc2nc(CS[*:1])[nH]c2c1
CC(=O)N(C)c1ccc(NC(=O)[C@@H](C)[C@H]2Sc3ccccc3NC2=O)cc1 CC(=O)N(C)[*:1] C[C@H](C(=O)Nc1ccc(cc1)[*:1])[C@H]1Sc2ccccc2NC1=O
Fc1cccc(-c2nc(CN3CCO[C@@H](Cn4cncn4)C3)co2)c1 c1ncn(C[*:1])n1 Fc1cccc(c1)-c1nc(co1)CN1CCO[C@@H](C1)[*:1]
Fc1cccc(-c2nc(CN3CCO[C@@H](Cn4cncn4)C3)co2)c1 c1ncn(n1)[*:1] Fc1cccc(c1)-c1nc(co1)CN1CCO[C@H](C1)C[*:1]
Fc1cccc(-c2nc(CN3CCO[C@@H](Cn4cncn4)C3)co2)c1 Fc1cccc(c1)[*:1] c1ncn(C[C@H]2CN(CCO2)Cc2coc(n2)[*:1])n1
O=C(CC[NH2+]CC(=O)N1CCc2sccc2C1)NC1CC1 C1CC1[*:1] O=C(CC[NH2+]CC(=O)N1CCc2sccc2C1)N[*:1]
O=C(CC[NH2+]CC(=O)N1CCc2sccc2C1)NC1CC1 O=C(C[*:1])NC1CC1 O=C(C[NH2+]C[*:1])N1CCc2sccc2C1
O=C(CC[NH2+]CC(=O)N1CCc2sccc2C1)NC1CC1 O=C(NC1CC1)[*:1] O=C(C[NH2+]CC[*:1])N1CCc2sccc2C1
O=C(COc1cccc(Br)c1)Nc1ccsc1C(=O)[O-] O=C([O-])[*:1] O=C(COc1cccc(Br)c1)Nc1ccsc1[*:1]
CN(C(=O)CSCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 Clc1ccc(cc1)[*:1] CN(C(=O)CSCc1nc(no1)[*:1])c1ccc(F)cc1
CN(C(=O)CSCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN(C(=O)CSCc1nc(no1)-c1ccc(Cl)cc1)[*:1]
CCc1noc(-c2ccc(C)c(NC(=O)[C@@]3(C)CC3(Cl)Cl)c2)n1 CCc1noc(n1)[*:1] Cc1ccc(cc1NC(=O)[C@@]1(C)CC1(Cl)Cl)[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)NCc1c(F)cccc1OC(F)F Cc1noc(C)c1[*:1] C[C@H](C[*:1])C(=O)NCc1c(F)cccc1OC(F)F
Cc1noc(C)c1C[C@@H](C)C(=O)NCc1c(F)cccc1OC(F)F Cc1noc(C)c1C[*:1] C[C@@H](C(=O)NCc1c(F)cccc1OC(F)F)[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)NCc1c(F)cccc1OC(F)F FC(F)[*:1] Cc1noc(C)c1C[C@@H](C)C(=O)NCc1c(F)cccc1O[*:1]
Cc1noc(C)c1C[C@@H](C)C(=O)NCc1c(F)cccc1OC(F)F FC(F)O[*:1] Cc1noc(C)c1C[C@@H](C)C(=O)NCc1c(F)cccc1[*:1]
CC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCO[C@@H]2C)c1 CC(=O)[*:1] C[C@H]1OCC[C@H]1C(=O)Nc1cc(ccc1Cl)[*:1]
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccco1 O=C(N[*:1])c1ccco1 COc1ccc(cc1[*:1])NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccco1 c1coc(c1)[*:1] COc1ccc(cc1NC(=O)[*:1])NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccco1 O=[N+]([O-])c1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)c1ccco1)NS(=O)(=O)[*:1]
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccco1 O=[N+]([O-])[*:1] COc1ccc(cc1NC(=O)c1ccco1)NS(=O)(=O)c1ccc(cc1)[*:1]
C[C@@H](O)CNc1cc(=O)oc2ccccc12 C[C@@H](O)[*:1] O=c1cc(NC[*:1])c2ccccc2o1
C[C@@H](O)CNc1cc(=O)oc2ccccc12 C[C@@H](O)CN[*:1] O=c1cc(c2ccccc2o1)[*:1]
C[C@@H](O)CNc1cc(=O)oc2ccccc12 C[C@@H](O)C[*:1] O=c1cc(N[*:1])c2ccccc2o1
Cc1ccc([N-]S(=O)(=O)c2c(C)nn(C(C)(C)C)c2C)c(C[NH+](C)C)c1 CC(C)(C)[*:1] Cc1ccc([N-]S(=O)(=O)c2c(C)nn(c2C)[*:1])c(c1)C[NH+](C)C
CN(CCCOc1ccccc1)C(=O)NC1CCC2(CC1)OCCO2 c1ccc(cc1)OC[*:1] CN(CC[*:1])C(=O)NC1CCC2(CC1)OCCO2
CN(CCCOc1ccccc1)C(=O)NC1CCC2(CC1)OCCO2 c1ccc(cc1)[*:1] CN(CCCO[*:1])C(=O)NC1CCC2(CC1)OCCO2
CN(CCCOc1ccccc1)C(=O)NC1CCC2(CC1)OCCO2 c1ccc(cc1)O[*:1] CN(CCC[*:1])C(=O)NC1CCC2(CC1)OCCO2
CNC(=O)c1cc(NC(=O)c2cc3cccc(Cl)c3o2)ccc1F CNC(=O)[*:1] O=C(Nc1ccc(F)c(c1)[*:1])c1cc2cccc(Cl)c2o1
CC(C)CC[S@@](=O)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F CC(C)[*:1] C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[S@](=O)CC[*:1]
CC(C)CC[S@@](=O)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F CC(C)CC[*:1] C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[S@](=O)[*:1]
CC(C)CC[S@@](=O)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F CC(C)C[*:1] C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[S@](=O)C[*:1]
CC[NH+]1CCN(c2ccc(N3CCC[C@@H](C(=O)NCc4ccc(OC)cc4)C3)nn2)CC1 COc1ccc(cc1)[*:1] CC[NH+]1CCN(CC1)c1ccc(nn1)N1CCC[C@H](C1)C(=O)NC[*:1]
CC[NH+]1CCN(c2ccc(N3CCC[C@@H](C(=O)NCc4ccc(OC)cc4)C3)nn2)CC1 COc1ccc(cc1)C[*:1] CC[NH+]1CCN(CC1)c1ccc(nn1)N1CCC[C@H](C1)C(=O)N[*:1]
CCC(=O)N1CC[C@@H](C(=O)NCCc2ccc[nH]2)C1 c1c[nH]c(c1)C[*:1] CCC(=O)N1CC[C@H](C1)C(=O)NC[*:1]
CCC(=O)N1CC[C@@H](C(=O)NCCc2ccc[nH]2)C1 c1c[nH]c(c1)[*:1] CCC(=O)N1CC[C@H](C1)C(=O)NCC[*:1]
Cc1nn(C)c(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)c1C C1CC1[*:1] Cc1nn(C)c(NC(=O)Cc2ccc(cc2)NC(=O)[*:1])c1C
Cc1nn(C)c(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)c1C Cc1nn(C)c(c1C)[*:1] O=C(Cc1ccc(cc1)NC(=O)C1CC1)N[*:1]
Cc1nn(C)c(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)c1C O=C(N[*:1])C1CC1 Cc1nn(C)c(NC(=O)Cc2ccc(cc2)[*:1])c1C
CCCN(Cn1nc(Nc2c(C)cc(C)cc2Cl)sc1=S)[C@@H]1CCS(=O)(=O)C1 Cc1cc(C)c(c(Cl)c1)[*:1] CCCN(Cn1nc(N[*:1])sc1=S)[C@@H]1CCS(=O)(=O)C1
CCCN(Cn1nc(Nc2c(C)cc(C)cc2Cl)sc1=S)[C@@H]1CCS(=O)(=O)C1 CCC[*:1] Cc1cc(C)c(Nc2nn(CN([C@@H]3CCS(=O)(=O)C3)[*:1])c(=S)s2)c(Cl)c1
CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)NCCN1CCOCC1 C1CN(CCO1)C[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)NC[*:1])C(=O)c1ccnc(Cl)c1
CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)NCCN1CCOCC1 C1CN(CCO1)[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)NCC[*:1])C(=O)c1ccnc(Cl)c1
CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)NCCN1CCOCC1 Clc1cc(ccn1)[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)NCCN1CCOCC1)C(=O)[*:1]
CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)NCCN1CCOCC1 C1CN(CCO1)CC[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)N[*:1])C(=O)c1ccnc(Cl)c1
C[NH+](Cc1csc(Br)c1)Cc1ncn(-c2ccccc2)n1 Brc1cc(cs1)C[*:1] C[NH+](Cc1ncn(n1)-c1ccccc1)[*:1]
C[NH+](Cc1csc(Br)c1)Cc1ncn(-c2ccccc2)n1 Brc1cc(cs1)[*:1] C[NH+](Cc1ncn(n1)-c1ccccc1)C[*:1]
C[NH+](Cc1csc(Br)c1)Cc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] C[NH+](Cc1csc(Br)c1)Cc1ncn(n1)[*:1]
Cc1cc(NC(=O)NCc2ccc(Cl)nc2)no1 Cc1cc(no1)[*:1] O=C(NCc1ccc(Cl)nc1)N[*:1]
NC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CCCO1 NC(=O)[*:1] O=C(Nc1c(oc2ccccc12)[*:1])[C@H]1CCCO1
NC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] NC(=O)c1oc2ccccc2c1NC(=O)[*:1]
CCn1cc([C@H](C)NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c(C)n1 CCn1cc(c(C)n1)[*:1] C[C@H](NC(=O)c1cc2c(nn(C)c2s1)C(F)(F)F)[*:1]
CCn1cc([C@H](C)NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c(C)n1 FC(F)(F)[*:1] CCn1cc(c(C)n1)[C@H](C)NC(=O)c1cc2c(nn(C)c2s1)[*:1]
CC(C)[C@@H](CS)C[NH+]1CCN(c2ccccc2)CC1 CC(C)[*:1] SC[C@@H](C[NH+]1CCN(CC1)c1ccccc1)[*:1]
CC(C)[C@@H](CS)C[NH+]1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] CC(C)[C@@H](CS)C[NH+]1CCN(CC1)[*:1]
CCCN(C[C@H]1CCC(C)(C)[C@@H]1[NH3+])CC(F)(F)F FC(F)(F)[*:1] CCCN(C[C@H]1CCC(C)(C)[C@@H]1[NH3+])C[*:1]
CCCN(C[C@H]1CCC(C)(C)[C@@H]1[NH3+])CC(F)(F)F CCC[*:1] CC1(C)CC[C@H](CN(CC(F)(F)F)[*:1])[C@H]1[NH3+]
CCCN(C[C@H]1CCC(C)(C)[C@@H]1[NH3+])CC(F)(F)F FC(F)(F)C[*:1] CCCN(C[C@H]1CCC(C)(C)[C@@H]1[NH3+])[*:1]
C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(C#N)cc1 N#Cc1ccc(cc1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)[NH+]1CCCC1)[*:1]
CC(C)n1ccnc1SCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br CC(C)n1ccnc1[*:1] O=C(CS[*:1])Nc1c(Br)cc(cc1Br)[N+](=O)[O-]
CC(C)n1ccnc1SCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br CC(C)[*:1] O=C(CSc1nccn1[*:1])Nc1c(Br)cc(cc1Br)[N+](=O)[O-]
CC(C)n1ccnc1SCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] CC(C)n1ccnc1SCC(=O)Nc1c(Br)cc(cc1Br)[*:1]
CC[C@H](NC(=O)N1CCN(C(=O)N(C)C)CC1)c1cccs1 c1csc(c1)[*:1] CC[C@H](NC(=O)N1CCN(CC1)C(=O)N(C)C)[*:1]
Cc1cccc2c(CCC(=O)N3CCC[C@@H](n4cncn4)C3)c[nH]c12 c1ncn(n1)[*:1] Cc1cccc2c(c[nH]c12)CCC(=O)N1CCC[C@@H](C1)[*:1]
CCOc1ncccc1CNC(=O)Nc1ccc(-n2cnnn2)c(C)c1 c1nnnn1[*:1] CCOc1ncccc1CNC(=O)Nc1ccc(c(C)c1)[*:1]
CCOc1ncccc1CNC(=O)Nc1ccc(-n2cnnn2)c(C)c1 CCO[*:1] Cc1cc(ccc1-n1cnnn1)NC(=O)NCc1cccnc1[*:1]
CCCc1ccc([C@H](NC(=O)c2cnn(C)c2C)C(C)C)cc1 CCC[*:1] Cc1c(cnn1C)C(=O)N[C@@H](c1ccc(cc1)[*:1])C(C)C
CCCc1ccc([C@H](NC(=O)c2cnn(C)c2C)C(C)C)cc1 CC(C)[*:1] CCCc1ccc(cc1)[C@H](NC(=O)c1cnn(C)c1C)[*:1]
CCCc1ccc([C@H](NC(=O)c2cnn(C)c2C)C(C)C)cc1 Cc1c(cnn1C)[*:1] CCCc1ccc(cc1)[C@H](NC(=O)[*:1])C(C)C
Cc1cc(NC(=O)C(=O)N[C@H](c2ncc(C)s2)C2CC2)c2ncccc2c1 C1CC1[*:1] Cc1cc(NC(=O)C(=O)N[C@H](c2ncc(C)s2)[*:1])c2ncccc2c1
Cc1cc(NC(=O)C(=O)N[C@H](c2ncc(C)s2)C2CC2)c2ncccc2c1 Cc1cnc(s1)[*:1] Cc1cc(NC(=O)C(=O)N[C@H](C2CC2)[*:1])c2ncccc2c1
Cc1csc(N2CCC[NH+](Cc3nc(C)c(C)o3)CC2)n1 Cc1csc(n1)[*:1] Cc1nc(C[NH+]2CCCN(CC2)[*:1])oc1C
Cc1csc(N2CCC[NH+](Cc3nc(C)c(C)o3)CC2)n1 Cc1nc(oc1C)[*:1] Cc1csc(n1)N1CCC[NH+](CC1)C[*:1]
O=C([O-])CC1CN(C(=O)C[C@H]2CCCCO2)C1 O=C([O-])[*:1] O=C(C[C@H]1CCCCO1)N1CC(C1)C[*:1]
O=C([O-])CC1CN(C(=O)C[C@H]2CCCCO2)C1 O=C([O-])C[*:1] O=C(C[C@H]1CCCCO1)N1CC(C1)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)c1C c1ccc(C[*:1])nc1 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)NC[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)c1C Cc1cc(C)c(C)c(c1C)[*:1] O=C(NCCc1ccccn1)C1CCN(CC1)S(=O)(=O)[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)c1C c1ccc(nc1)[*:1] Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)NCC[*:1]
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)c1C c1ccc(CC[*:1])nc1 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)N[*:1]
C[C@@H](C(=O)NCC1CCCCC1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 C1CCC(CC1)C[*:1] C[C@@H](C(=O)N[*:1])N1CCN(CC1)CC(=O)N[C@H]1CCS(=O)(=O)C1
C[C@@H](C(=O)NCC1CCCCC1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 C1CCC(CC1)[*:1] C[C@@H](C(=O)NC[*:1])N1CCN(CC1)CC(=O)N[C@H]1CCS(=O)(=O)C1
Cc1nn(C)c2sc(C(=O)Nc3ccc(C(=O)NCC(C)C)cc3)cc12 CC(C)C[*:1] Cc1nn(C)c2sc(cc12)C(=O)Nc1ccc(cc1)C(=O)N[*:1]
Cc1nn(C)c2sc(C(=O)Nc3ccc(C(=O)NCC(C)C)cc3)cc12 CC(C)CNC(=O)[*:1] Cc1nn(C)c2sc(cc12)C(=O)Nc1ccc(cc1)[*:1]
Cc1nn(C)c2sc(C(=O)Nc3ccc(C(=O)NCC(C)C)cc3)cc12 CC(C)[*:1] Cc1nn(C)c2sc(cc12)C(=O)Nc1ccc(cc1)C(=O)NC[*:1]
CCOC(=O)C1=C(N)Oc2nc([O-])[nH]c(=O)c2[C@@H]1c1cccc(Cl)c1Cl Clc1cccc(c1Cl)[*:1] CCOC(=O)C1=C(N)Oc2nc([O-])[nH]c(=O)c2[C@H]1[*:1]
CCOC(=O)C1=C(N)Oc2nc([O-])[nH]c(=O)c2[C@@H]1c1cccc(Cl)c1Cl CCOC(=O)[*:1] NC1Oc2nc([O-])[nH]c(=O)c2[C@@H](C=1[*:1])c1cccc(Cl)c1Cl
COc1ccc(CCCNC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1 COc1ccc(cc1)[*:1] Cc1nc(oc1C)-c1cccc(c1)NC(=O)NCCC[*:1]
COc1ccc(CCCNC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1 COc1ccc(cc1)C[*:1] Cc1nc(oc1C)-c1cccc(c1)NC(=O)NCC[*:1]
COc1ccc(CCCNC(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1 Cc1nc(oc1C)[*:1] COc1ccc(cc1)CCCNC(=O)Nc1cccc(c1)[*:1]
CC(C)(C)OC(=O)N1CCC[C@H]1/C([O-])=N/S(C)(=O)=O CC(C)(C)[*:1] CS(=O)(=O)/N=C(\[O-])[C@@H]1CCCN1C(=O)O[*:1]
Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)c(C)c1 Cc1cc(C)c(c(C)c1)[*:1] Cc1csc2nc(cc(=O)n12)CN1CCN(CC1)S(=O)(=O)[*:1]
CC[S@](=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C CC(C)[*:1] CC[S@](=O)CC(=O)Nc1c(cccc1[*:1])C(C)C
C[C@@H](NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C[C@@H](NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)[*:1]
C[C@@H](NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)Cn1cnc2c(cnn2[*:1])c1=O)c1ccc2OCCOc2c1
COc1c(C(=O)N[C@@H](C)c2ccccc2)sc2cccc(F)c12 c1ccc(cc1)[*:1] COc1c(sc2cccc(F)c12)C(=O)N[C@@H](C)[*:1]
CCc1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3)C2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)[*:1]
COC(C)(C)c1noc(-c2cc(C(C)C)no2)n1 COC(C)(C)[*:1] CC(C)c1cc(on1)-c1nc(no1)[*:1]
COC(C)(C)c1noc(-c2cc(C(C)C)no2)n1 CC(C)[*:1] COC(C)(C)c1noc(n1)-c1cc(no1)[*:1]
Cc1ccc(N2CCC(NC(=O)C/C=C/c3ccc(F)cc3)CC2)[nH+]c1 Fc1ccc(cc1)[*:1] Cc1ccc([nH+]c1)N1CCC(CC1)NC(=O)CC=C[*:1]
O=C(c1cccnc1)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 c1cncc(c1)[*:1] O=C(N1[C@H]2CC[C@@H]1Cn1c(C2)nc2ccccc2c1=O)[*:1]
C[C@H](NC(=O)Nc1cn[nH]c1)c1ccc(S(=O)(=O)N(C)C)cc1 CN(C)S(=O)(=O)[*:1] C[C@H](NC(=O)Nc1cn[nH]c1)c1ccc(cc1)[*:1]
C[C@H](NC(=O)Nc1cn[nH]c1)c1ccc(S(=O)(=O)N(C)C)cc1 c1n[nH]cc1[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)S(=O)(=O)N(C)C
O=C(Nc1ccccc1F)N1CC=C(c2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(Nc1ccccc1F)N1CC=C(CC1)[*:1]
O=C(Nc1ccccc1F)N1CC=C(c2ccccc2)CC1 Fc1ccccc1[*:1] O=C(N[*:1])N1CC=C(CC1)c1ccccc1
CCNC(=O)c1ccc(NC(=O)[C@@H]2SCCc3sccc32)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1NC(=O)[C@@H]1SCCc2sccc21)[*:1]
CCCNC(=O)c1cccc(NC(=O)NCCC(=O)N2CCCC2)c1 CCC[*:1] O=C(NCCC(=O)N1CCCC1)Nc1cccc(c1)C(=O)N[*:1]
CCCNC(=O)c1cccc(NC(=O)NCCC(=O)N2CCCC2)c1 O=C(N1CCCC1)[*:1] CCCNC(=O)c1cccc(c1)NC(=O)NCC[*:1]
CCCNC(=O)c1cccc(NC(=O)NCCC(=O)N2CCCC2)c1 CCCNC(=O)[*:1] O=C(NCCC(=O)N1CCCC1)Nc1cccc(c1)[*:1]
CCCNC(=O)c1cccc(NC(=O)NCCC(=O)N2CCCC2)c1 O=C(C[*:1])N1CCCC1 CCCNC(=O)c1cccc(c1)NC(=O)NC[*:1]
C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCN(c2ccc(F)cn2)CC1 Fc1ccc(nc1)[*:1] C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCN(CC1)[*:1]
Cc1cc(F)cc(-n2c(C(C)C)nc3cc(N)ccc32)c1 CC(C)[*:1] Cc1cc(F)cc(c1)-n1c(nc2cc(N)ccc21)[*:1]
Cc1cccc(C(C)C)c1NC(=O)CNC(=O)C(C)(C)C CC(C)[*:1] Cc1cccc(c1NC(=O)CNC(=O)C(C)(C)C)[*:1]
Cc1cccc(C(C)C)c1NC(=O)CNC(=O)C(C)(C)C CC(C)(C)[*:1] Cc1cccc(c1NC(=O)CNC(=O)[*:1])C(C)C
Cc1cccc(C(C)C)c1NC(=O)CNC(=O)C(C)(C)C CC(C)(C)C(=O)N[*:1] Cc1cccc(c1NC(=O)C[*:1])C(C)C
CC(C)(C)[C@H](O)CNC(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 CC(C)(C)[C@H](O)[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)NC[*:1]
CC(C)(C)[C@H](O)CNC(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 CC(C)(C)[*:1] O=C(NC[C@@H](O)[*:1])NC[C@@H]1C[C@@]12CCc1ccccc12
CC(C)(C)[C@H](O)CNC(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 CC(C)(C)[C@H](O)C[*:1] O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)N[*:1]
CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[C@@H](C)N(C1=O)[*:1]
CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O CC(C)[*:1] C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2[*:1])C(=O)N1c1ccccc1
C[NH+](C)C1(CNC(=O)c2ccc[nH]c2=O)CCCCCC1 O=c1[nH]cccc1[*:1] C[NH+](C)C1(CCCCCC1)CNC(=O)[*:1]
O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCC2=O)cc1 Clc1ccc(cc1)[*:1] O=C(N[*:1])c1ccc(cc1)CN1CCCC1=O
O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1C[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(cc1)[*:1]
O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCC2=O)cc1 O=C1CCCN1[*:1] O=C(Nc1ccc(Cl)cc1)c1ccc(cc1)C[*:1]
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc(F)c(Cl)c1 O=C([O-])[*:1] C[C@H]1[C@H](CCN1C(=O)Nc1ccc(F)c(Cl)c1)[*:1]
CO[C@H]1CCC[C@H]1NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F O=C([O-])[*:1] CO[C@H]1CCC[C@H]1NC(=O)N[C@](C)(C(F)(F)F)[*:1]
CO[C@H]1CCC[C@H]1NC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F FC(F)(F)[*:1] CO[C@H]1CCC[C@H]1NC(=O)N[C@](C)(C(=O)[O-])[*:1]
CC(C)[C@H]1CC[C@@H](C)C(=Cc2ccc(NC(=O)CCC(=O)[O-])cc2)C1=O O=C([O-])CCC(=O)N[*:1] CC(C)[C@H]1CC[C@@H](C)C(=Cc2ccc(cc2)[*:1])C1=O
CC(C)[C@H]1CC[C@@H](C)C(=Cc2ccc(NC(=O)CCC(=O)[O-])cc2)C1=O O=C([O-])CC[*:1] CC(C)[C@H]1CC[C@@H](C)C(=Cc2ccc(cc2)NC(=O)[*:1])C1=O
CC(C)[C@H]1CC[C@@H](C)C(=Cc2ccc(NC(=O)CCC(=O)[O-])cc2)C1=O O=C([O-])C[*:1] CC(C)[C@H]1CC[C@@H](C)C(=Cc2ccc(cc2)NC(=O)C[*:1])C1=O
CC(C)[C@H]1CC[C@@H](C)C(=Cc2ccc(NC(=O)CCC(=O)[O-])cc2)C1=O CC(C)[*:1] C[C@@H]1CC[C@@H](C(=O)C1=Cc1ccc(cc1)NC(=O)CCC(=O)[O-])[*:1]
CC(C)[C@H]1CC[C@@H](C)C(=Cc2ccc(NC(=O)CCC(=O)[O-])cc2)C1=O O=C([O-])[*:1] CC(C)[C@H]1CC[C@@H](C)C(=Cc2ccc(cc2)NC(=O)CC[*:1])C1=O
Cc1ccc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)nc1 Cc1ccc(nc1)[*:1] O=C(Cn1ncc2c(=O)oc3ccccc3c21)N[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)(C)NC(=O)[*:1] O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1[*:1]
CC(C)(C)NC(=O)c1ccccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O CC(C)(C)[*:1] O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(=O)N[*:1]
Cc1ccc(C)c(CN2C(=O)N[C@](C)(c3ccccn3)C2=O)c1 c1ccc(nc1)[*:1] Cc1ccc(C)c(c1)CN1C(=O)N[C@](C)(C1=O)[*:1]
Cc1ccccc1Cn1cc(NC(=O)c2cc3c(=O)c4ccccc4oc3o2)cn1 Cc1ccccc1C[*:1] O=C(Nc1cnn(c1)[*:1])c1cc2c(=O)c3ccccc3oc2o1
Cc1ccccc1Cn1cc(NC(=O)c2cc3c(=O)c4ccccc4oc3o2)cn1 Cc1ccccc1[*:1] O=C(Nc1cnn(c1)C[*:1])c1cc2c(=O)c3ccccc3oc2o1
NC(=O)C[NH+]1CC=C(CCNC(=O)Cc2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] NC(=O)C[NH+]1CC=C(CCNC(=O)C[*:1])CC1
NC(=O)C[NH+]1CC=C(CCNC(=O)Cc2ccc(F)cc2)CC1 NC(=O)C[*:1] O=C(Cc1ccc(F)cc1)NCCC1=CC[NH+](CC1)[*:1]
NC(=O)C[NH+]1CC=C(CCNC(=O)Cc2ccc(F)cc2)CC1 NC(=O)[*:1] O=C(Cc1ccc(F)cc1)NCCC1=CC[NH+](CC1)C[*:1]
Cc1c(C(=O)NC[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(cccc1[*:1])C(=O)NC[C@H](C)c1ccccc1
Cc1c(C(=O)NC[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1c(cccc1[N+](=O)[O-])C(=O)NC[C@H](C)[*:1]
C[C@H](O)[C@H]1CCCN(C(=O)c2ncccc2C(F)(F)F)C1 C[C@H](O)[*:1] O=C(c1ncccc1C(F)(F)F)N1CCC[C@@H](C1)[*:1]
C[C@H](O)[C@H]1CCCN(C(=O)c2ncccc2C(F)(F)F)C1 FC(F)(F)[*:1] C[C@H](O)[C@H]1CCCN(C1)C(=O)c1ncccc1[*:1]
COCCN(Cc1ccoc1)C(=O)Cc1cccs1 c1csc(c1)C[*:1] COCCN(Cc1ccoc1)C(=O)[*:1]
COCCN(Cc1ccoc1)C(=O)Cc1cccs1 COC[*:1] O=C(Cc1cccs1)N(Cc1ccoc1)C[*:1]
COCCN(Cc1ccoc1)C(=O)Cc1cccs1 c1cc(co1)[*:1] COCCN(C[*:1])C(=O)Cc1cccs1
COCCN(Cc1ccoc1)C(=O)Cc1cccs1 COCC[*:1] O=C(Cc1cccs1)N(Cc1ccoc1)[*:1]
COCCN(Cc1ccoc1)C(=O)Cc1cccs1 c1cc(co1)C[*:1] COCCN(C(=O)Cc1cccs1)[*:1]
COCCN(Cc1ccoc1)C(=O)Cc1cccs1 c1csc(c1)[*:1] COCCN(Cc1ccoc1)C(=O)C[*:1]
Cn1cc(N2CCC[C@H](Nc3ccc4cc([N+](=O)[O-])ccc4n3)C2)cn1 O=[N+]([O-])[*:1] Cn1cc(cn1)N1CCC[C@@H](C1)Nc1ccc2cc(ccc2n1)[*:1]
Cn1cc(N2CCC[C@H](Nc3ccc4cc([N+](=O)[O-])ccc4n3)C2)cn1 Cn1cc(cn1)[*:1] O=[N+]([O-])c1ccc2nc(ccc2c1)N[C@H]1CCCN(C1)[*:1]
COc1ccc(C)cc1NS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C O=c1ccc(n[nH]1)[*:1] COc1ccc(C)cc1NS(=O)(=O)c1cc(ccc1C)[*:1]
COc1ccc(C)cc1NS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C COc1ccc(C)cc1[*:1] Cc1ccc(cc1S(=O)(=O)N[*:1])-c1ccc(=O)[nH]n1
CN(C)S(=O)(=O)Nc1ccc(F)c(-n2cccc2)c1 c1ccn(c1)[*:1] CN(C)S(=O)(=O)Nc1ccc(F)c(c1)[*:1]
O=C(Cc1noc2ccccc12)N[C@@H]1C[C@H]1c1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C(Cc1noc2ccccc12)N[C@@H]1C[C@@H]1[*:1]
CC(C)Cc1ccc([C@@H]2C[NH+]=C(N)N2C(C)C)cc1 CC(C)C[*:1] CC(C)N1C(N)=[NH+]C[C@H]1c1ccc(cc1)[*:1]
CC(C)Cc1ccc([C@@H]2C[NH+]=C(N)N2C(C)C)cc1 CC(C)[*:1] CC(C)N1C(N)=[NH+]C[C@H]1c1ccc(cc1)C[*:1]
CC(C)Cc1ccc([C@@H]2C[NH+]=C(N)N2C(C)C)cc1 CC(C)[*:1] CC(C)Cc1ccc(cc1)[C@@H]1C[NH+]=C(N)N1[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)Cc1csc(-c2ccoc2)n1 CCC[*:1] O=C(Cc1csc(n1)-c1ccoc1)N[C@H]1CCC[C@H]1C[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)Cc1csc(-c2ccoc2)n1 c1cc(co1)[*:1] CCCC[C@@H]1CCC[C@@H]1NC(=O)Cc1csc(n1)[*:1]
CCCC[C@@H]1CCC[C@@H]1NC(=O)Cc1csc(-c2ccoc2)n1 CCCC[*:1] O=C(Cc1csc(n1)-c1ccoc1)N[C@H]1CCC[C@H]1[*:1]
COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 COc1ccc(C)cc1[*:1] O=C(CCS(=O)(=O)c1ccc2OCCOc2c1)N[*:1]
CS(=O)(=O)N1CCN(CCOCC[NH3+])CC1 [NH3+]CC[*:1] CS(=O)(=O)N1CCN(CCO[*:1])CC1
CS(=O)(=O)N1CCN(CCOCC[NH3+])CC1 [NH3+]CCO[*:1] CS(=O)(=O)N1CCN(CC1)CC[*:1]
CS(=O)(=O)N1CCN(CCOCC[NH3+])CC1 [NH3+]CCOC[*:1] CS(=O)(=O)N1CCN(CC1)C[*:1]
Cc1cc(CNC[C@@H](C#N)c2ccccc2)cc(C)c1F c1ccc(cc1)[*:1] Cc1cc(cc(C)c1F)CNC[C@@H](C#N)[*:1]
CCN(CC)C(=O)CSc1nnnn1-c1ccc(OC)cc1 CCN(CC)C(=O)[*:1] COc1ccc(cc1)-n1nnnc1SC[*:1]
CNC(=O)Nc1cccc(NC(=O)c2ncccc2OC(C)C)c1 CC(C)[*:1] CNC(=O)Nc1cccc(c1)NC(=O)c1ncccc1O[*:1]
CNC(=O)Nc1cccc(NC(=O)c2ncccc2OC(C)C)c1 CNC(=O)N[*:1] CC(C)Oc1cccnc1C(=O)Nc1cccc(c1)[*:1]
CNC(=O)Nc1cccc(NC(=O)c2ncccc2OC(C)C)c1 CC(C)O[*:1] CNC(=O)Nc1cccc(c1)NC(=O)c1ncccc1[*:1]
Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1F)c1ccccc1F Cn1ccnc1[*:1] O=C(Nc1ccccc1F)N[C@@H](c1ccccc1F)[*:1]
Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1F)c1ccccc1F Fc1ccccc1[*:1] Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1F)[*:1]
Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1F)c1ccccc1F Fc1ccccc1[*:1] Cn1ccnc1[C@@H](NC(=O)N[*:1])c1ccccc1F
CNC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1ccc2c(c1)OCO2 CNC(=O)[*:1] O=C(Nc1ccc2OCOc2c1)N1c2ccccc2C[C@@H]1[*:1]
COc1cc(OC)cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 CC(C)[*:1] COc1cc(cc(c1)C(=O)Nc1cnc2c(cnn2[*:1])c1)OC
Cn1cnc(CNC(=O)c2cc(-c3cccc(Cl)c3)on2)n1 Cn1cnc(n1)[*:1] O=C(NC[*:1])c1cc(on1)-c1cccc(Cl)c1
Cn1cnc(CNC(=O)c2cc(-c3cccc(Cl)c3)on2)n1 Cn1cnc(C[*:1])n1 O=C(N[*:1])c1cc(on1)-c1cccc(Cl)c1
Cn1cnc(CNC(=O)c2cc(-c3cccc(Cl)c3)on2)n1 Clc1cccc(c1)[*:1] Cn1cnc(CNC(=O)c2cc(on2)[*:1])n1
CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC2(CC1)OCCO2 CC(C)[*:1] O=C([C@H](Sc1ccccc1)[*:1])N1CCC2(CC1)OCCO2
CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC2(CC1)OCCO2 c1ccc(cc1)[*:1] CC(C)[C@@H](S[*:1])C(=O)N1CCC2(CC1)OCCO2
CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC2(CC1)OCCO2 c1ccc(cc1)S[*:1] CC(C)[C@@H](C(=O)N1CCC2(CC1)OCCO2)[*:1]
CCO[C@@H](C)C(=O)NC1(c2noc(C)n2)CCCCCC1 CCO[*:1] Cc1nc(no1)C1(CCCCCC1)NC(=O)[C@H](C)[*:1]
CCO[C@@H](C)C(=O)NC1(c2noc(C)n2)CCCCCC1 Cc1nc(no1)[*:1] CCO[C@@H](C)C(=O)NC1(CCCCCC1)[*:1]
CCO[C@@H](C)C(=O)NC1(c2noc(C)n2)CCCCCC1 CCO[C@@H](C)[*:1] Cc1nc(no1)C1(CCCCCC1)NC(=O)[*:1]
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccccc1F Fc1ccccc1[*:1] O=S(=O)(c1ccc2OCCOc2c1)N1CCC[C@@H]1[*:1]
C[C@H](Cc1ccsc1)NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] C[C@H](Cc1ccsc1)NC(=O)C(=O)Nc1cnc(s1)[*:1]
C[C@H](Cc1ccsc1)NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 c1cc(cs1)[*:1] C[C@H](C[*:1])NC(=O)C(=O)Nc1cnc(s1)-c1ccccc1
C[C@H](Cc1ccsc1)NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 c1cc(cs1)C[*:1] C[C@H](NC(=O)C(=O)Nc1cnc(s1)-c1ccccc1)[*:1]
CC[NH2+][C@H](C)CSC[C@@H](O)CO OC[C@H](O)[*:1] CC[NH2+][C@H](C)CSC[*:1]
COc1cc(OC)cc(C(=O)N2C[N-]S(=O)(=O)c3cc(S(N)(=O)=O)c(Cl)cc32)c1 NS(=O)(=O)[*:1] COc1cc(cc(c1)C(=O)N1C[N-]S(=O)(=O)c2cc(c(Cl)cc21)[*:1])OC
CC(C)[NH2+]Cc1ccccc1OC1CCCCC1 C1CCC(CC1)[*:1] CC(C)[NH2+]Cc1ccccc1O[*:1]
CC(C)[NH2+]Cc1ccccc1OC1CCCCC1 CC(C)[*:1] c1ccc(OC2CCCCC2)c(c1)C[NH2+][*:1]
CC[C@@](C)([NH3+])C(=O)N(C)CCOCC1CC1 C1CC1C[*:1] CC[C@@](C)([NH3+])C(=O)N(C)CCO[*:1]
CC[C@@](C)([NH3+])C(=O)N(C)CCOCC1CC1 C1CC1CO[*:1] CC[C@@](C)([NH3+])C(=O)N(C)CC[*:1]
CC[C@@](C)([NH3+])C(=O)N(C)CCOCC1CC1 C1CC1[*:1] CC[C@@](C)([NH3+])C(=O)N(C)CCOC[*:1]
CCc1ccc(OCC(=O)N(C(C)C)C2CCOCC2)cc1 CC(C)[*:1] CCc1ccc(cc1)OCC(=O)N(C1CCOCC1)[*:1]
CCc1ccc(OCC(=O)N(C(C)C)C2CCOCC2)cc1 C1CC(CCO1)[*:1] CCc1ccc(cc1)OCC(=O)N(C(C)C)[*:1]
C=CCC[C@]1(C)CCCCC[NH2+]1 C=CCC[*:1] C[C@@]1(CCCCC[NH2+]1)[*:1]
C=CCC[C@]1(C)CCCCC[NH2+]1 C=CC[*:1] C[C@]1(CCCCC[NH2+]1)C[*:1]
Cc1n[nH]c(COc2ccccc2C(C)(C)C)c1C(=O)[O-] CC(C)(C)[*:1] Cc1n[nH]c(COc2ccccc2[*:1])c1C(=O)[O-]
Cc1n[nH]c(COc2ccccc2C(C)(C)C)c1C(=O)[O-] O=C([O-])[*:1] Cc1n[nH]c(COc2ccccc2C(C)(C)C)c1[*:1]
CC(C)n1nccc1C(=O)Nc1nnc(-c2ccnn2C(C)C)o1 CC(C)n1nccc1[*:1] CC(C)n1nccc1C(=O)Nc1nnc(o1)[*:1]
CC(C)n1nccc1C(=O)Nc1nnc(-c2ccnn2C(C)C)o1 CC(C)n1nccc1[*:1] CC(C)n1nccc1-c1nnc(NC(=O)[*:1])o1
CC(C)n1nccc1C(=O)Nc1nnc(-c2ccnn2C(C)C)o1 CC(C)[*:1] CC(C)n1nccc1C(=O)Nc1nnc(o1)-c1ccnn1[*:1]
CC(C)n1nccc1C(=O)Nc1nnc(-c2ccnn2C(C)C)o1 CC(C)[*:1] CC(C)n1nccc1-c1nnc(NC(=O)c2ccnn2[*:1])o1
Cc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)c2c(C)nn(C)c2n1 CC(C)(C)[*:1] Cc1cc(C(=O)NC2(CCCC2)CNC(=O)O[*:1])c2c(C)nn(C)c2n1
Cc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)c2c(C)nn(C)c2n1 CC(C)(C)OC(=O)N[*:1] Cc1cc(C(=O)NC2(CCCC2)C[*:1])c2c(C)nn(C)c2n1
Cc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)c2c(C)nn(C)c2n1 CC(C)(C)OC(=O)NC[*:1] Cc1cc(C(=O)NC2(CCCC2)[*:1])c2c(C)nn(C)c2n1
CN(C)C(=O)c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 Clc1cccc(c1)[*:1] CN(C)C(=O)c1cccc(c1)OCC(=O)N[*:1]
CN(C)C(=O)c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 CN(C)C(=O)[*:1] O=C(COc1cccc(c1)[*:1])Nc1cccc(Cl)c1
CC[C@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)NC CC[C@H](C)[*:1] CNC(=O)[C@H](C)NC(=O)CNC(=O)[*:1]
CC[C@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)NC CNC(=O)[*:1] CC[C@H](C)C(=O)NCC(=O)N[C@@H](C)[*:1]
Cc1cccc(-c2cccnc2C(=O)[O-])c1 O=C([O-])[*:1] Cc1cccc(c1)-c1cccnc1[*:1]
Cc1cc(CSc2nnc(N)n2C(C)C)on1 CC(C)[*:1] Cc1cc(CSc2nnc(N)n2[*:1])on1
CC[C@H](Oc1ccccc1OC)C(N)=O NC(=O)[*:1] CC[C@H](Oc1ccccc1OC)[*:1]
Cc1cccc(NC(=O)[C@@H](C)n2cnc3c(sc4ncccc43)c2=O)c1 Cc1cccc(c1)[*:1] C[C@H](C(=O)N[*:1])n1cnc2c(sc3ncccc32)c1=O
C[C@H](NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)C(=O)N(C)C C[C@H](C(=O)N(C)C)[*:1] C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[*:1]
C[C@H](NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)C(=O)N(C)C FC(F)(F)[*:1] C[C@H](NC(=O)[C@H](C)Oc1ccccc1[*:1])C(=O)N(C)C
C[C@H](NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)C(=O)N(C)C CN(C)C(=O)[*:1] C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@H](C)[*:1]
CC(C)c1noc([C@@H](C)SCc2nc(-c3cccs3)no2)n1 CC(C)[*:1] C[C@@H](SCc1nc(no1)-c1cccs1)c1nc(no1)[*:1]
CC(C)c1noc([C@@H](C)SCc2nc(-c3cccs3)no2)n1 c1csc(c1)[*:1] CC(C)c1noc(n1)[C@@H](C)SCc1nc(no1)[*:1]
O=C(CC1(O)CCCCC1)NC1CC[NH+](Cc2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(CC1(O)CCCCC1)NC1CC[NH+](CC1)C[*:1]
O=C(CC1(O)CCCCC1)NC1CC[NH+](Cc2ccccn2)CC1 OC1(CCCCC1)C[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccn1)[*:1]
O=C(CC1(O)CCCCC1)NC1CC[NH+](Cc2ccccn2)CC1 c1ccc(C[*:1])nc1 O=C(CC1(O)CCCCC1)NC1CC[NH+](CC1)[*:1]
O=C(CC1(O)CCCCC1)NC1CC[NH+](Cc2ccccn2)CC1 OC1(CCCCC1)[*:1] O=C(C[*:1])NC1CC[NH+](CC1)Cc1ccccn1
CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1ccccc1C Cc1ccccc1[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[*:1]
Cc1cc([N+](=O)[O-])ccc1O[C@H]1CCC[C@@H]([NH3+])C1 O=[N+]([O-])[*:1] Cc1cc(ccc1O[C@H]1CCC[C@@H]([NH3+])C1)[*:1]
CN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O Fc1cccc(c1)C[*:1] CN(C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)[*:1]
CN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O Fc1cccc(c1)[*:1] CN(C[*:1])C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
CN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O c1ccc(cc1)[*:1] CN(Cc1cccc(F)c1)C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)[*:1]
CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1ccccc1F Fc1ccccc1[*:1] CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[*:1]
CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)C2CC=CC2)cc1 CCN(CC)C(=O)N[*:1] C[C@H](NC(=O)C1CC=CC1)c1ccc(cc1)[*:1]
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc2cn[nH]c12 Clc1ccc(cc1)[*:1] C[C@H](NS(=O)(=O)[*:1])C(=O)Nc1cccc2cn[nH]c12
CCCCC(=O)Nc1nc(-c2cc3cccc(OCC)c3o2)cs1 CCCC[*:1] CCOc1cccc2cc(oc12)-c1csc(n1)NC(=O)[*:1]
CCCCC(=O)Nc1nc(-c2cc3cccc(OCC)c3o2)cs1 CCC[*:1] CCOc1cccc2cc(oc12)-c1csc(n1)NC(=O)C[*:1]
CCCCC(=O)Nc1nc(-c2cc3cccc(OCC)c3o2)cs1 CCO[*:1] CCCCC(=O)Nc1nc(cs1)-c1cc2cccc(c2o1)[*:1]
CCCCC(=O)Nc1nc(-c2cc3cccc(OCC)c3o2)cs1 CCCCC(=O)N[*:1] CCOc1cccc2cc(oc12)-c1csc(n1)[*:1]
O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1ccc2ccccc2c1 C1CSC(S1)[*:1] O=S(=O)(Oc1ccc(cc1)[*:1])c1ccc2ccccc2c1
CC(C)n1c([C@@H]2CCCN(Cc3c[nH]c[nH+]3)C2)nc2ccccc21 CC(C)[*:1] c1ccc2c(c1)nc([C@@H]1CCCN(Cc3c[nH]c[nH+]3)C1)n2[*:1]
O[C@@H](CN1C2=[NH+]CCN2c2ccccc21)c1ccc(Br)cc1 Brc1ccc(cc1)[*:1] O[C@@H](CN1C2=[NH+]CCN2c2ccccc21)[*:1]
Cc1cccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccccn2)c1C Cc1cccc(c1C)[*:1] O=C(CSc1nnc(-c2ccccn2)n1[*:1])NCc1ccco1
Cc1cccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccccn2)c1C O=C(NCc1ccco1)[*:1] Cc1cccc(c1C)-n1c(nnc1-c1ccccn1)SC[*:1]
Cc1cccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccccn2)c1C c1coc(c1)C[*:1] Cc1cccc(c1C)-n1c(nnc1-c1ccccn1)SCC(=O)N[*:1]
Cc1cccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccccn2)c1C O=C(C[*:1])NCc1ccco1 Cc1cccc(c1C)-n1c(nnc1-c1ccccn1)S[*:1]
Cc1cccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccccn2)c1C c1coc(c1)[*:1] Cc1cccc(c1C)-n1c(nnc1-c1ccccn1)SCC(=O)NC[*:1]
Cc1cccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccccn2)c1C c1ccc(nc1)[*:1] Cc1cccc(c1C)-n1c(nnc1[*:1])SCC(=O)NCc1ccco1
CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCOCC1 C1CN(CCO1)C[*:1] CC[C@H](C)c1ccccc1OC[C@H](O)[*:1]
CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCOCC1 C1CN(CCO1)[*:1] CC[C@H](C)c1ccccc1OC[C@H](O)C[*:1]
CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCOCC1 CC[C@H](C)[*:1] O[C@@H](COc1ccccc1[*:1])CN1CCOCC1
CC(C)(C)CC(=O)N1CCN(C(=O)c2cnn3c2OCCC3)CC1 CC(C)(C)C[*:1] O=C(c1cnn2CCCOc12)N1CCN(CC1)C(=O)[*:1]
CC(C)(C)CC(=O)N1CCN(C(=O)c2cnn3c2OCCC3)CC1 CC(C)(C)[*:1] O=C(C[*:1])N1CCN(CC1)C(=O)c1cnn2CCCOc12
CC[C@@H](NC(=O)[C@@H](C)c1cccs1)c1nc(C(F)(F)F)cs1 C[C@@H](c1cccs1)[*:1] CC[C@@H](NC(=O)[*:1])c1nc(cs1)C(F)(F)F
CC[C@@H](NC(=O)[C@@H](C)c1cccs1)c1nc(C(F)(F)F)cs1 FC(F)(F)[*:1] CC[C@@H](NC(=O)[C@@H](C)c1cccs1)c1nc(cs1)[*:1]
CC[C@@H](NC(=O)[C@@H](C)c1cccs1)c1nc(C(F)(F)F)cs1 c1csc(c1)[*:1] CC[C@@H](NC(=O)[C@@H](C)[*:1])c1nc(cs1)C(F)(F)F
Cc1ccc(-c2cc(C(=O)NCc3nc(C)c4c(n3)CCCC4)[nH]n2)s1 Cc1ccc(s1)[*:1] Cc1nc(CNC(=O)c2cc(n[nH]2)[*:1])nc2CCCCc12
CN1C(=O)C[C@@H](NC(=O)CSCC(F)(F)F)[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CN1C(=O)C[C@@H](NC(=O)CSCC(F)(F)F)[C@H]1[*:1]
CN1C(=O)C[C@@H](NC(=O)CSCC(F)(F)F)[C@@H]1c1ccc(F)cc1 FC(F)(F)CS[*:1] CN1C(=O)C[C@@H](NC(=O)C[*:1])[C@@H]1c1ccc(F)cc1
CN1C(=O)C[C@@H](NC(=O)CSCC(F)(F)F)[C@@H]1c1ccc(F)cc1 FC(F)(F)C[*:1] CN1C(=O)C[C@@H](NC(=O)CS[*:1])[C@@H]1c1ccc(F)cc1
CN1C(=O)C[C@@H](NC(=O)CSCC(F)(F)F)[C@@H]1c1ccc(F)cc1 FC(F)(F)CSC[*:1] CN1C(=O)C[C@@H](NC(=O)[*:1])[C@@H]1c1ccc(F)cc1
CN1C(=O)C[C@@H](NC(=O)CSCC(F)(F)F)[C@@H]1c1ccc(F)cc1 FC(F)(F)[*:1] CN1C(=O)C[C@@H](NC(=O)CSC[*:1])[C@@H]1c1ccc(F)cc1
CC(C)C[NH2+]C[C@H]1CC[C@@H]1C CC(C)[*:1] C[C@H]1CC[C@@H]1C[NH2+]C[*:1]
COCCN1C[C@@H](Cn2ccc3nc(OC)c(C#N)cc3c2=O)CC1=O COCC[*:1] COc1nc2ccn(C[C@H]3CC(=O)N(C3)[*:1])c(=O)c2cc1C#N
COCCN1C[C@@H](Cn2ccc3nc(OC)c(C#N)cc3c2=O)CC1=O COC[*:1] COc1nc2ccn(C[C@H]3CC(=O)N(C3)C[*:1])c(=O)c2cc1C#N
C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1ccc(F)cc1Cl Fc1ccc(c(Cl)c1)[*:1] C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)[*:1]
C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1ccc(F)cc1Cl Cn1cc(ccc1=O)[*:1] C[C@H](NC(=O)C(=O)N[*:1])c1ccc(F)cc1Cl
Nc1c(NCc2ccc3c(c2)OCO3)ncnc1N(Cc1ccccc1)c1ccccn1 c1cc2OCOc2cc1[*:1] Nc1c(ncnc1N(Cc1ccccc1)c1ccccn1)NC[*:1]
Nc1c(NCc2ccc3c(c2)OCO3)ncnc1N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)[*:1] Nc1c(ncnc1N(C[*:1])c1ccccn1)NCc1ccc2OCOc2c1
Nc1c(NCc2ccc3c(c2)OCO3)ncnc1N(Cc1ccccc1)c1ccccn1 c1ccc(nc1)[*:1] Nc1c(ncnc1N(Cc1ccccc1)[*:1])NCc1ccc2OCOc2c1
Nc1c(NCc2ccc3c(c2)OCO3)ncnc1N(Cc1ccccc1)c1ccccn1 c1cc2OCOc2cc1C[*:1] Nc1c(ncnc1N(Cc1ccccc1)c1ccccn1)N[*:1]
Nc1c(NCc2ccc3c(c2)OCO3)ncnc1N(Cc1ccccc1)c1ccccn1 c1ccc(cc1)C[*:1] Nc1c(ncnc1N(c1ccccn1)[*:1])NCc1ccc2OCOc2c1
C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)c1ccc([S@@](C)=O)cc1 C[S@@](=O)[*:1] C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)c1ccc(cc1)[*:1]
NC(=O)CN1CCC[C@@H]1c1ccnc(-c2ccc(Cl)cc2)n1 NC(=O)C[*:1] Clc1ccc(cc1)-c1nccc(n1)[C@H]1CCCN1[*:1]
NC(=O)CN1CCC[C@@H]1c1ccnc(-c2ccc(Cl)cc2)n1 NC(=O)[*:1] Clc1ccc(cc1)-c1nccc(n1)[C@H]1CCCN1C[*:1]
NC(=O)CN1CCC[C@@H]1c1ccnc(-c2ccc(Cl)cc2)n1 Clc1ccc(cc1)[*:1] NC(=O)CN1CCC[C@@H]1c1ccnc(n1)[*:1]
COc1ccccc1NC(=O)CCC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1 COc1ccccc1[*:1] O=C(CCC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21)N[*:1]
[NH3+][C@H]1CC[C@H](Nc2ccccc2-n2ccnc2)C1 c1cn(cn1)[*:1] [NH3+][C@H]1CC[C@@H](C1)Nc1ccccc1[*:1]
CCOc1cc(CNc2nc[nH+]c3nc(N)ccc23)ccn1 CCO[*:1] Nc1ccc2c(nc[nH+]c2n1)NCc1ccnc(c1)[*:1]
Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@@H]([NH3+])CO)CC3)cn1 Cc1cnc(cn1)[*:1] [NH3+][C@@H](CO)C(=O)N1CCC2(CCC(=O)N(C2)C[*:1])CC1
Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@@H]([NH3+])CO)CC3)cn1 Cc1cnc(cn1)C[*:1] [NH3+][C@@H](CO)C(=O)N1CCC2(CCC(=O)N(C2)[*:1])CC1
CCc1nc(Cl)c(C)c(NCc2cc(C(=O)OC)c(C)o2)n1 COC(=O)[*:1] CCc1nc(Cl)c(C)c(n1)NCc1cc(c(C)o1)[*:1]
Cc1ccc2c(CC(=O)Nc3ccc(-n4ccnc4)cc3)coc2c1 c1cn(cn1)[*:1] Cc1ccc2c(coc2c1)CC(=O)Nc1ccc(cc1)[*:1]
CC[C@@H](C)CNC(=O)c1ccc(C[NH3+])o1 CC[C@@H](C)[*:1] [NH3+]Cc1ccc(o1)C(=O)NC[*:1]
CC[C@@H](C)CNC(=O)c1ccc(C[NH3+])o1 CC[C@@H](C)C[*:1] [NH3+]Cc1ccc(o1)C(=O)N[*:1]
Cc1ccc2cccc(NC(=O)c3ccccc3SCC(=O)N(C)C)c2n1 CN(C)C(=O)CS[*:1] Cc1ccc2cccc(NC(=O)c3ccccc3[*:1])c2n1
Cc1ccc2cccc(NC(=O)c3ccccc3SCC(=O)N(C)C)c2n1 CN(C)C(=O)[*:1] Cc1ccc2cccc(NC(=O)c3ccccc3SC[*:1])c2n1
Cc1ccc2cccc(NC(=O)c3ccccc3SCC(=O)N(C)C)c2n1 CN(C)C(=O)C[*:1] Cc1ccc2cccc(NC(=O)c3ccccc3S[*:1])c2n1
O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccc(o1)[*:1] O=C(Nc1cc2nn(nc2cc1Cl)-c1ccccc1)[*:1]
O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc([N+](=O)[O-])o1 c1ccc(cc1)[*:1] O=C(Nc1cc2nn(nc2cc1Cl)[*:1])c1ccc(o1)[N+](=O)[O-]
O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc([N+](=O)[O-])o1 O=[N+]([O-])[*:1] O=C(Nc1cc2nn(nc2cc1Cl)-c1ccccc1)c1ccc(o1)[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CSC[C@@H]1C(=O)NCCc1csc(C)n1 Cc1nc(cs1)[*:1] CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CSC[C@@H]1C(=O)NCC[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CSC[C@@H]1C(=O)NCCc1csc(C)n1 Cc1nc(cs1)CC[*:1] CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CSC[C@@H]1C(=O)N[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CSC[C@@H]1C(=O)NCCc1csc(C)n1 Cc1nc(cs1)C[*:1] CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CSC[C@@H]1C(=O)NC[*:1]
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CSC[C@@H]1C(=O)NCCc1csc(C)n1 CC(=O)N[*:1] Cc1ccc(c(c1)S(=O)(=O)N1CSC[C@@H]1C(=O)NCCc1csc(C)n1)[*:1]
O=C(NC[C@@H]1COC2(CCCCC2)O1)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(NC[C@@H]1COC2(CCCCC2)O1)N[*:1]
COc1ccc(N2C(=O)[C@H](CC(C)C)N=C2N2CCN(c3ccccc3)CC2)cc1OC c1ccc(cc1)[*:1] COc1ccc(cc1OC)N1C(=O)[C@H](CC(C)C)N=C1N1CCN(CC1)[*:1]
COc1ccc(N2C(=O)[C@H](CC(C)C)N=C2N2CCN(c3ccccc3)CC2)cc1OC CC(C)C[*:1] COc1ccc(cc1OC)N1C(=O)[C@H](N=C1N1CCN(CC1)c1ccccc1)[*:1]
COc1ccc(N2C(=O)[C@H](CC(C)C)N=C2N2CCN(c3ccccc3)CC2)cc1OC CC(C)[*:1] COc1ccc(cc1OC)N1C(=O)[C@H](C[*:1])N=C1N1CCN(CC1)c1ccccc1
COc1ccc(N2C(=O)[C@H](CC(C)C)N=C2N2CCN(c3ccccc3)CC2)cc1OC COc1ccc(cc1OC)[*:1] CC(C)C[C@@H]1N=C(N2CCN(CC2)c2ccccc2)N(C1=O)[*:1]
CCOc1cccc(C(NC(=O)c2ccccc2F)NC(=O)c2ccccc2F)c1 CCO[*:1] O=C(NC(NC(=O)c1ccccc1F)c1cccc(c1)[*:1])c1ccccc1F
CCOc1cccc(C(NC(=O)c2ccccc2F)NC(=O)c2ccccc2F)c1 Fc1ccccc1[*:1] CCOc1cccc(c1)C(NC(=O)c1ccccc1F)NC(=O)[*:1]
CCOc1cccc(C(NC(=O)c2ccccc2F)NC(=O)c2ccccc2F)c1 O=C(N[*:1])c1ccccc1F CCOc1cccc(c1)C(NC(=O)c1ccccc1F)[*:1]
CCOc1cccc(C(NC(=O)c2ccccc2F)NC(=O)c2ccccc2F)c1 CCOc1cccc(c1)[*:1] O=C(NC(NC(=O)c1ccccc1F)[*:1])c1ccccc1F
CCCOc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1 CCCO[*:1] O=S(=O)(N[C@H]1CC[NH2+]C1)c1ccc(cc1)[*:1]
CCCOc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1 CCC[*:1] O=S(=O)(N[C@H]1CC[NH2+]C1)c1ccc(cc1)O[*:1]
CC(C)(O)CCSc1ccc(N)cc1F CC(C)(O)[*:1] Nc1ccc(SCC[*:1])c(F)c1
CC(C)(O)CCSc1ccc(N)cc1F CC(C)(O)C[*:1] Nc1ccc(SC[*:1])c(F)c1
O=C(NCC1(O)CCOCC1)[C@H](c1ccccc1)N1CCCC1 c1ccc(cc1)[*:1] O=C(NCC1(O)CCOCC1)[C@H](N1CCCC1)[*:1]
O=C(NCC1(O)CCOCC1)[C@H](c1ccccc1)N1CCCC1 C1CCN(C1)[*:1] O=C(NCC1(O)CCOCC1)[C@H](c1ccccc1)[*:1]
O=C(NCC1(O)CCOCC1)[C@H](c1ccccc1)N1CCCC1 OC1(CCOCC1)[*:1] O=C(NC[*:1])[C@H](c1ccccc1)N1CCCC1
C[C@H](O)[C@H](C)C(C)(C)C(=O)[O-] C[C@H](O)[*:1] C[C@H](C(C)(C)C(=O)[O-])[*:1]
C[C@H](O)[C@H](C)C(C)(C)C(=O)[O-] O=C([O-])[*:1] C[C@H](O)[C@H](C)C(C)(C)[*:1]
COc1cccc(CCCNC(=O)c2cc(C(C)C)n(C)n2)c1 CC(C)[*:1] COc1cccc(c1)CCCNC(=O)c1cc(n(C)n1)[*:1]
Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H](C)c1ccccc1 C[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1NC(=O)N[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)[*:1])-c1ncco1
Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H](C)c1ccccc1 c1coc(n1)[*:1] Cc1ccc(cc1NC(=O)N[C@@H](C)c1ccccc1)[*:1]
O=C(Cc1csc(-c2cccs2)n1)N1C[C@H](O)[C@H](O)C1 c1csc(c1)[*:1] O=C(Cc1csc(n1)[*:1])N1C[C@H](O)[C@H](O)C1
CCCn1c(C)nnc1SCc1noc(-c2cccc(Cl)c2)n1 Clc1cccc(c1)[*:1] CCCn1c(C)nnc1SCc1noc(n1)[*:1]
CCCn1c(C)nnc1SCc1noc(-c2cccc(Cl)c2)n1 CCC[*:1] Cc1nnc(SCc2noc(n2)-c2cccc(Cl)c2)n1[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1 C[C@@H](C#N)C[*:1] CC(C)(C)c1cc(no1)NC(=O)C(=O)N[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1 C[C@@H](C#N)[*:1] CC(C)(C)c1cc(no1)NC(=O)C(=O)NC[*:1]
C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(C(C)(C)C)on1 CC(C)(C)[*:1] C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(on1)[*:1]
CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 CN(C)C(=O)[*:1] N#Cc1csc(c1)C(=O)N1CCC[C@H]1[*:1]
Cc1ccc(C[C@@H]2CCCN2C(=O)C[C@@H](O)c2ccccc2)cc1 Cc1ccc(cc1)[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCC[C@H]1C[*:1]
Cc1ccc(C[C@@H]2CCCN2C(=O)C[C@@H](O)c2ccccc2)cc1 O[C@@H](c1ccccc1)[*:1] Cc1ccc(cc1)C[C@@H]1CCCN1C(=O)C[*:1]
Cc1ccc(C[C@@H]2CCCN2C(=O)C[C@@H](O)c2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)C[C@@H]1CCCN1C(=O)C[C@@H](O)[*:1]
Cc1ccc(C[C@@H]2CCCN2C(=O)C[C@@H](O)c2ccccc2)cc1 Cc1ccc(cc1)C[*:1] O=C(C[C@@H](O)c1ccccc1)N1CCC[C@H]1[*:1]
Cc1nc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)nn1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cc1nc(nn1[*:1])C(=O)N(C)Cc1ccc(cc1)C(F)(F)F
Cc1nc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)nn1-c1ccc(F)cc1 FC(F)(F)[*:1] Cc1nc(nn1-c1ccc(F)cc1)C(=O)N(C)Cc1ccc(cc1)[*:1]
CC[NH2+][C@H](CCc1ccsc1)[C@H]1CN2CCC[C@@H]2CO1 c1cc(cs1)[*:1] CC[NH2+][C@H](CC[*:1])[C@H]1CN2CCC[C@@H]2CO1
CC[NH2+][C@H](CCc1ccsc1)[C@H]1CN2CCC[C@@H]2CO1 c1cc(cs1)C[*:1] CC[NH2+][C@H](C[*:1])[C@H]1CN2CCC[C@@H]2CO1
CCC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nccn1C Cn1ccnc1[*:1] CCC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)[*:1]
CCC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nccn1C CCC[*:1] Cn1ccnc1[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)[*:1]
CCC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nccn1C Fc1ccc(cc1)[*:1] CCC[C@H]([NH2+]Cc1c[nH]nc1[*:1])c1nccn1C
COc1ccc([C@@H](NC(=O)N[C@H](C)Cc2ccsc2)C2CCOCC2)cc1 COc1ccc(cc1)[*:1] C[C@H](Cc1ccsc1)NC(=O)N[C@@H](C1CCOCC1)[*:1]
COc1ccc([C@@H](NC(=O)N[C@H](C)Cc2ccsc2)C2CCOCC2)cc1 C[C@H](Cc1ccsc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)N[C@H](C)Cc2ccsc2)C2CCOCC2)cc1 C1CC(CCO1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[C@H](C)Cc1ccsc1)[*:1]
COc1ccc([C@@H](NC(=O)N[C@H](C)Cc2ccsc2)C2CCOCC2)cc1 c1cc(cs1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[C@H](C)C[*:1])C1CCOCC1
COc1ccc([C@@H](NC(=O)N[C@H](C)Cc2ccsc2)C2CCOCC2)cc1 c1cc(cs1)C[*:1] COc1ccc(cc1)[C@@H](NC(=O)N[C@H](C)[*:1])C1CCOCC1
CCc1cccc(C(=O)N(C)CC2CCC2)c1O C1CC(C1)[*:1] CCc1cccc(C(=O)N(C)C[*:1])c1O
CCc1cccc(C(=O)N(C)CC2CCC2)c1O C1CC(C1)C[*:1] CCc1cccc(C(=O)N(C)[*:1])c1O
CCCCC1CCC(C(=O)N2CCC(c3nnc(C4CC4)o3)CC2)CC1 CCCC[*:1] O=C(C1CCC(CC1)[*:1])N1CCC(CC1)c1nnc(o1)C1CC1
CCCCC1CCC(C(=O)N2CCC(c3nnc(C4CC4)o3)CC2)CC1 C1CC1c1nnc(o1)[*:1] CCCCC1CCC(CC1)C(=O)N1CCC(CC1)[*:1]
CCCCC1CCC(C(=O)N2CCC(c3nnc(C4CC4)o3)CC2)CC1 C1CC1[*:1] CCCCC1CCC(CC1)C(=O)N1CCC(CC1)c1nnc(o1)[*:1]
CCCCC1CCC(C(=O)N2CCC(c3nnc(C4CC4)o3)CC2)CC1 CCC[*:1] O=C(C1CCC(CC1)C[*:1])N1CCC(CC1)c1nnc(o1)C1CC1
Cc1ncccc1NC(=O)N(C)Cc1nccn1C(F)F Cc1ncccc1[*:1] CN(Cc1nccn1C(F)F)C(=O)N[*:1]
Cc1ncccc1NC(=O)N(C)Cc1nccn1C(F)F FC(F)[*:1] Cc1ncccc1NC(=O)N(C)Cc1nccn1[*:1]
O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1c(F)cccc1F c1ccc(cc1)[*:1] O=C(NC1CCN(CC1)C(=O)[*:1])c1c(F)cccc1F
O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1c(F)cccc1F Fc1cccc(F)c1[*:1] O=C(c1ccccc1)N1CCC(CC1)NC(=O)[*:1]
COc1cc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)ccc1OC(C)=O CC(=O)O[*:1] COc1cc(/C=N/c2ccc(cc2)S(=O)(=O)N2CCc3ccccc32)ccc1[*:1]
CCOc1ccc(C2=C[C@H]([C@@H]3NC(c4ccc5c(c4)OCO5)=NO3)N=N2)cc1 CCO[*:1] C1=C(N=N[C@H]1[C@@H]1NC(=NO1)c1ccc2OCOc2c1)c1ccc(cc1)[*:1]
CCOc1ccc(C2=C[C@H]([C@@H]3NC(c4ccc5c(c4)OCO5)=NO3)N=N2)cc1 c1cc2OCOc2cc1[*:1] CCOc1ccc(cc1)C1=C[C@@H](N=N1)[C@@H]1NC(=NO1)[*:1]
CCOc1ccc(C2=C[C@H]([C@@H]3NC(c4ccc5c(c4)OCO5)=NO3)N=N2)cc1 CCOc1ccc(cc1)[*:1] C1=C(N=N[C@H]1[C@@H]1NC(=NO1)c1ccc2OCOc2c1)[*:1]
O=C(NC[C@]1(O)CCSC1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(NC[C@]1(O)CCSC1)[C@H]1CCCC[C@H]1[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@@H]2C[C@H]2c2cccc(F)c2)c(C)c1 Fc1cccc(c1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)/N=C(\[O-])[C@@H]1C[C@@H]1[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@@H]2C[C@H]2c2cccc(F)c2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=S(=O)(/N=C(\[O-])[C@@H]1C[C@H]1c1cccc(F)c1)[*:1]
C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(c1)[*:1]
CC(C)c1ccc([C@H](C)CC(=O)N2CCO[C@H](C)C2)cc1 CC(C)[*:1] C[C@@H]1CN(CCO1)C(=O)C[C@@H](C)c1ccc(cc1)[*:1]
COC(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 COC(=O)CCC[*:1] O=C1CN(C(=O)N[*:1])c2ccccc2N1
COC(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 COC(=O)[*:1] O=C1CN(C(=O)NCCC[*:1])c2ccccc2N1
COC(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 COC(=O)C[*:1] O=C1CN(C(=O)NCC[*:1])c2ccccc2N1
COC(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 COC(=O)CC[*:1] O=C1CN(C(=O)NC[*:1])c2ccccc2N1
CCCCCN(C)c1ccc(F)cc1[C@@H](C)[NH2+]C CCCCC[*:1] C[NH2+][C@H](C)c1cc(F)ccc1N(C)[*:1]
CCCCCN(C)c1ccc(F)cc1[C@@H](C)[NH2+]C CCCC[*:1] C[NH2+][C@H](C)c1cc(F)ccc1N(C)C[*:1]
CCCCCN(C)c1ccc(F)cc1[C@@H](C)[NH2+]C CCC[*:1] C[NH2+][C@H](C)c1cc(F)ccc1N(C)CC[*:1]
CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(F)ccc1F FC(F)(F)[*:1] CN(Cc1cccc(c1)[*:1])C(=O)Nc1cc(F)ccc1F
CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(F)ccc1F Fc1ccc(F)c(c1)[*:1] CN(Cc1cccc(c1)C(F)(F)F)C(=O)N[*:1]
CC1(CNC(=O)N2CCN(C(=O)c3ccncc3)CC2)CCCC1 c1cc(ccn1)[*:1] CC1(CCCC1)CNC(=O)N1CCN(CC1)C(=O)[*:1]
CC1(CNC(=O)N2CCN(C(=O)c3ccncc3)CC2)CCCC1 CC1(CCCC1)C[*:1] O=C(N[*:1])N1CCN(CC1)C(=O)c1ccncc1
CC1(CNC(=O)N2CCN(C(=O)c3ccncc3)CC2)CCCC1 CC1(CCCC1)[*:1] O=C(NC[*:1])N1CCN(CC1)C(=O)c1ccncc1
CSc1nccn1-c1cccc(C(=O)NCCCc2c(C)noc2C)c1 CSc1nccn1[*:1] Cc1noc(C)c1CCCNC(=O)c1cccc(c1)[*:1]
CSc1nccn1-c1cccc(C(=O)NCCCc2c(C)noc2C)c1 Cc1noc(C)c1C[*:1] CSc1nccn1-c1cccc(c1)C(=O)NCC[*:1]
CSc1nccn1-c1cccc(C(=O)NCCCc2c(C)noc2C)c1 Cc1noc(C)c1[*:1] CSc1nccn1-c1cccc(c1)C(=O)NCCC[*:1]
CCc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)C(=O)NCC[NH+]1CCN(CC1)[*:1]
CCc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 CCc1ccc(cc1)[*:1] O=C(NCC[NH+]1CCN(CC1)c1ccccc1)C(=O)N[*:1]
Cc1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)O[*:1] Cc1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccccc1[*:1]
Cc1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F Cc1cccnc1[*:1] O=C(N[*:1])[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F
Cc1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F FC(F)(F)[*:1] Cc1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccccc1O[*:1]
CCCC(=O)N[C@H](C)CCC CCC[*:1] CCCC(=O)N[C@H](C)[*:1]
CCCC(=O)N[C@H](C)CCC CCC[*:1] CCC[C@@H](C)NC(=O)[*:1]
CC[C@@H](C)N1C(N)=[NH+]C[C@]1(CC)c1cccc(Cl)c1 CC[C@@H](C)[*:1] CC[C@@]1(C[NH+]=C(N)N1[*:1])c1cccc(Cl)c1
CC1=C(C(=O)OCC(Cl)(Cl)Cl)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2SC1 ClC(Cl)(Cl)C[*:1] CC1CS[C@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2C=1C(=O)O[*:1]
CC1=C(C(=O)OCC(Cl)(Cl)Cl)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2SC1 O=C(OCC(Cl)(Cl)Cl)[*:1] CC1CS[C@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2C=1[*:1]
CC1=C(C(=O)OCC(Cl)(Cl)Cl)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2SC1 ClC(Cl)(Cl)[*:1] CC1CS[C@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2C=1C(=O)OC[*:1]
CC1=C(C(=O)OCC(Cl)(Cl)Cl)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2SC1 c1ccc(cc1)[*:1] CC1CS[C@H]2[C@H](NC(=O)C[*:1])C(=O)N2C=1C(=O)OCC(Cl)(Cl)Cl
CC1=C(C(=O)OCC(Cl)(Cl)Cl)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2SC1 c1ccc(cc1)C[*:1] CC1CS[C@H]2[C@H](NC(=O)[*:1])C(=O)N2C=1C(=O)OCC(Cl)(Cl)Cl
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 O=[N+]([O-])[*:1] O=C(N/N=C/c1cccc(c1)[*:1])c1nc2ccccc2s1
O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(O)(c2ccccn2)CC1 c1ccc(nc1)[*:1] O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(O)(CC1)[*:1]
Cn1ccnc1CC[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 Cn1ccnc1[*:1] C(C[*:1])[NH2+][C@@H]1CCO[C@]2(CCOC2)C1
C[C@@H](NC(=O)Nc1ccc2c(c1)COC2)c1ccccc1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1ccc2COCc2c1)[*:1]
NC(=[NH2+])c1ccc(OCc2cccc(O)c2)c(Cl)c1 NC(=[NH2+])[*:1] Oc1cccc(c1)COc1ccc(cc1Cl)[*:1]
COc1ccc(S(=O)(=O)N2CCC(OCC(C)C)CC2)cc1C CC(C)[*:1] COc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)OC[*:1]
COc1ccc(S(=O)(=O)N2CCC(OCC(C)C)CC2)cc1C CC(C)C[*:1] COc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)O[*:1]
COc1ccc(S(=O)(=O)N2CCC(OCC(C)C)CC2)cc1C CC(C)CO[*:1] COc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)[*:1]
CC(C)N(C(=O)C[NH2+]Cc1cccs1)C(C)C c1csc(c1)[*:1] CC(C)N(C(=O)C[NH2+]C[*:1])C(C)C
CC(C)N(C(=O)C[NH2+]Cc1cccs1)C(C)C CC(C)[*:1] CC(C)N(C(=O)C[NH2+]Cc1cccs1)[*:1]
C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccco1 c1coc(c1)[*:1] C[NH+](C)[C@@H](CNC(=O)c1cc2COc3ccccc3-c2s1)[*:1]
CC(C)Cc1noc([C@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)n1 CC(C)C[*:1] C1CC[C@@H]2CC[C@@H]([NH2+][C@H]2C1)c1nc(no1)[*:1]
CC(C)Cc1noc([C@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)n1 CC(C)[*:1] C1CC[C@@H]2CC[C@@H]([NH2+][C@H]2C1)c1nc(C[*:1])no1
CCOc1cc(C)ccc1NC(=O)[C@@H](C)n1cccn1 CCO[*:1] Cc1ccc(NC(=O)[C@@H](C)n2cccn2)c(c1)[*:1]
CCOc1cc(C)ccc1NC(=O)[C@@H](C)n1cccn1 c1cnn(c1)[*:1] CCOc1cc(C)ccc1NC(=O)[C@@H](C)[*:1]
COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccc(C#N)cc3)C2)c1 N#Cc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)C1C[C@H](ON=1)C(=O)N[*:1]
CC(C)[C@@H](C)CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)C[*:1] CC(C)[C@@H](C)CC(=O)N[C@H]1CCCN(C1=O)[*:1]
CC(C)[C@@H](C)CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O CC(C)[C@@H](C)[*:1] O=C(C[*:1])N[C@H]1CCCN(Cc2ccccc2)C1=O
CC(C)[C@@H](C)CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O CC(C)[*:1] C[C@@H](CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)[*:1]
CC(C)[C@@H](C)CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O CC(C)[C@@H](C)C[*:1] O=C1[C@H](CCCN1Cc1ccccc1)NC(=O)[*:1]
CC(C)[C@@H](C)CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O c1ccc(cc1)[*:1] CC(C)[C@@H](C)CC(=O)N[C@H]1CCCN(C[*:1])C1=O
NC(=O)c1csc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1 Clc1ccc(cc1)[*:1] NC(=O)c1csc(c1)C(=O)NC1(CC1)[*:1]
NC(=O)c1csc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1 NC(=O)[*:1] O=C(NC1(CC1)c1ccc(Cl)cc1)c1cc(cs1)[*:1]
Cc1cc(C)c(C(=O)NNC(=S)NCCc2ccccn2)o1 Cc1cc(C)c(o1)[*:1] O=C(NNC(=S)NCCc1ccccn1)[*:1]
Cc1cc(C)c(C(=O)NNC(=S)NCCc2ccccn2)o1 c1ccc(C[*:1])nc1 Cc1cc(C)c(o1)C(=O)NNC(=S)NC[*:1]
Cc1cc(C)c(C(=O)NNC(=S)NCCc2ccccn2)o1 c1ccc(nc1)[*:1] Cc1cc(C)c(o1)C(=O)NNC(=S)NCC[*:1]
COC(=O)c1cncc(N[C@@H]2CCC[NH2+]C2)n1 COC(=O)[*:1] c1ncc(nc1N[C@@H]1CCC[NH2+]C1)[*:1]
CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(NC(C)=O)CC1 CC(=O)N[*:1] CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(CC1)[*:1]
CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(NC(C)=O)CC1 CCO[*:1] CC(=O)NC1CCN(CC1)C(=O)N[C@@H](CC(C)C)c1ccccc1[*:1]
CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(NC(C)=O)CC1 CC(C)[*:1] CCOc1ccccc1[C@H](C[*:1])NC(=O)N1CCC(CC1)NC(C)=O
CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(NC(C)=O)CC1 CC(C)C[*:1] CCOc1ccccc1[C@H](NC(=O)N1CCC(CC1)NC(C)=O)[*:1]
CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(NC(C)=O)CC1 CCOc1ccccc1[*:1] CC(=O)NC1CCN(CC1)C(=O)N[C@@H](CC(C)C)[*:1]
CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc(Br)c1OCC CCO[*:1] CCOc1c(Br)cc(cc1[*:1])[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2nnnn21
CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc(Br)c1OCC CCO[*:1] CCOc1cc(cc(Br)c1[*:1])[C@@H]1C2C(=O)CC(C)(C)CC=2Nc2nnnn21
C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)C(=O)NCCC1=c2ccccc2=[NH+]C1 c1ccc2O[C@H](Cc2c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCCC1C[NH+]=c2ccccc2=1
CCCN1C(=O)CC[C@H]2CN(C(=O)Cc3cnc(C)[nH]c3=O)CC[C@H]21 CCC[*:1] Cc1ncc(CC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3[*:1])C2)c(=O)[nH]1
CCCN1C(=O)CC[C@H]2CN(C(=O)Cc3cnc(C)[nH]c3=O)CC[C@H]21 Cc1ncc(c(=O)[nH]1)[*:1] CCCN1C(=O)CC[C@H]2CN(CC[C@H]21)C(=O)C[*:1]
CC1(C(=O)N2CCc3ccc(S(=O)(=O)NCc4cccs4)cc3C2)CC1 c1csc(c1)C[*:1] CC1(CC1)C(=O)N1CCc2ccc(cc2C1)S(=O)(=O)N[*:1]
CC1(C(=O)N2CCc3ccc(S(=O)(=O)NCc4cccs4)cc3C2)CC1 c1csc(c1)[*:1] CC1(CC1)C(=O)N1CCc2ccc(cc2C1)S(=O)(=O)NC[*:1]
CC1(C(=O)N2CCc3ccc(S(=O)(=O)NCc4cccs4)cc3C2)CC1 CC1(CC1)[*:1] O=C(N1CCc2ccc(cc2C1)S(=O)(=O)NCc1cccs1)[*:1]
C[C@H]1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)C[C@@H]1O Fc1ccc(c(F)c1)[*:1] C[C@H]1CCN(C[C@@H]1O)C(=O)CCCNC(=O)[*:1]
COC(=O)CCC(=O)N[C@H](C)c1ccc(Br)cc1 COC(=O)C[*:1] C[C@@H](NC(=O)C[*:1])c1ccc(Br)cc1
COC(=O)CCC(=O)N[C@H](C)c1ccc(Br)cc1 COC(=O)CC[*:1] C[C@@H](NC(=O)[*:1])c1ccc(Br)cc1
COC(=O)CCC(=O)N[C@H](C)c1ccc(Br)cc1 COC(=O)[*:1] C[C@@H](NC(=O)CC[*:1])c1ccc(Br)cc1
Cc1ccc([C@@H](C)NC(=[NH2+])NC(C)C)cc1F CC(C)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=[NH2+])N[*:1]
Cc1ccc2c(c1)CCN2CC(=O)Nc1ccccc1C(F)(F)F FC(F)(F)[*:1] Cc1ccc2c(c1)CCN2CC(=O)Nc1ccccc1[*:1]
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCCCN2CC[NH+](C)CC2)CC1=O c1ccc(cc1)[*:1] C[C@@H](N1C[C@H](CC1=O)C(=O)NCCCN1CC[NH+](C)CC1)[*:1]
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCCCN2CC[NH+](C)CC2)CC1=O C[C@@H](c1ccccc1)[*:1] C[NH+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(C2)[*:1])CC1
CO[C@H]1CCC[C@@H](C(=O)N[C@H]2CC(C)(C)Cc3nc(N4C[C@H](C)O[C@H](C)C4)ncc32)C1 CO[C@H]1CCC[C@@H](C1)[*:1] C[C@H]1CN(C[C@@H](C)O1)c1ncc2c(CC(C)(C)C[C@@H]2NC(=O)[*:1])n1
CO[C@H]1CCC[C@@H](C(=O)N[C@H]2CC(C)(C)Cc3nc(N4C[C@H](C)O[C@H](C)C4)ncc32)C1 C[C@H]1CN(C[C@@H](C)O1)[*:1] CO[C@H]1CCC[C@H](C1)C(=O)N[C@H]1CC(C)(C)Cc2nc(ncc21)[*:1]
Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)o1 Cc1occc1[*:1] C[C@H]1CCC[C@@H](NC(=O)CSc2nnc(o2)[*:1])[C@H]1C
O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1cccc(Cl)c1 Clc1cccc(c1)[*:1] O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CN[*:1]
O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1cccc(Cl)c1 Clc1cccc(c1)N[*:1] O=C1S/C(=C/c2ccccc2Cl)C(=O)N1C[*:1]
O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1cccc(Cl)c1 Clc1ccccc1[*:1] O=C1SC(=C[*:1])C(=O)N1CNc1cccc(Cl)c1
CC[C@H](C)n1ncc(C(=O)N[C@H](C)c2nc3ccccc3n2C)c1C1CC1 CC[C@H](C)[*:1] C[C@@H](NC(=O)c1cnn(c1C1CC1)[*:1])c1nc2ccccc2n1C
CC[C@H](C)n1ncc(C(=O)N[C@H](C)c2nc3ccccc3n2C)c1C1CC1 C1CC1[*:1] CC[C@H](C)n1ncc(C(=O)N[C@H](C)c2nc3ccccc3n2C)c1[*:1]
C[C@H]([NH2+][C@@H](C)c1cccc(OCC(=O)N(C)C)c1)c1ccccc1 CN(C)C(=O)CO[*:1] C[C@H]([NH2+][C@@H](C)c1cccc(c1)[*:1])c1ccccc1
C[C@H]([NH2+][C@@H](C)c1cccc(OCC(=O)N(C)C)c1)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H]([NH2+][*:1])c1cccc(c1)OCC(=O)N(C)C
C[C@H]([NH2+][C@@H](C)c1cccc(OCC(=O)N(C)C)c1)c1ccccc1 c1ccc(cc1)[*:1] C[C@H]([NH2+][C@@H](C)[*:1])c1cccc(c1)OCC(=O)N(C)C
C[C@H]([NH2+][C@@H](C)c1cccc(OCC(=O)N(C)C)c1)c1ccccc1 CN(C)C(=O)C[*:1] C[C@H]([NH2+][C@@H](C)c1cccc(c1)O[*:1])c1ccccc1
C[C@H]([NH2+][C@@H](C)c1cccc(OCC(=O)N(C)C)c1)c1ccccc1 CN(C)C(=O)[*:1] C[C@H]([NH2+][C@@H](C)c1cccc(c1)OC[*:1])c1ccccc1
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cc(C)no3)nnc2N2CCCCC2)cc1 Cc1cc(on1)[*:1] Cc1ccc(cc1)-n1c(nnc1N1CCCCC1)S[C@@H](C)C(=O)N[*:1]
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cc(C)no3)nnc2N2CCCCC2)cc1 Cc1ccc(cc1)[*:1] Cc1cc(NC(=O)[C@H](C)Sc2nnc(N3CCCCC3)n2[*:1])on1
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cc(C)no3)nnc2N2CCCCC2)cc1 Cc1cc(NC(=O)[*:1])on1 Cc1ccc(cc1)-n1c(nnc1N1CCCCC1)S[C@@H](C)[*:1]
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cc(C)no3)nnc2N2CCCCC2)cc1 C1CCN(CC1)[*:1] Cc1ccc(cc1)-n1c(nnc1[*:1])S[C@@H](C)C(=O)Nc1cc(C)no1
COC(=O)CN(CC1=CCCOC1)Cc1ccccc1 COC(=O)[*:1] C1CCOCC=1CN(Cc1ccccc1)C[*:1]
COC(=O)CN(CC1=CCCOC1)Cc1ccccc1 c1ccc(cc1)[*:1] COC(=O)CN(CC1=CCCOC1)C[*:1]
COC(=O)CN(CC1=CCCOC1)Cc1ccccc1 COC(=O)C[*:1] C1CCOCC=1CN(Cc1ccccc1)[*:1]
CCNC(=O)c1ccc(N[C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)c1 CCNC(=O)[*:1] Cc1cc(ccc1N[C@@H]1CCN(C1=O)c1ccccc1Cl)[*:1]
CCNC(=O)c1ccc(N[C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)c1 Clc1ccccc1[*:1] CCNC(=O)c1ccc(N[C@@H]2CCN(C2=O)[*:1])c(C)c1
CC(C)CCN(C)S(=O)(=O)c1ccc(F)cc1Cl CC(C)[*:1] CN(CC[*:1])S(=O)(=O)c1ccc(F)cc1Cl
CC(C)CCN(C)S(=O)(=O)c1ccc(F)cc1Cl CC(C)CC[*:1] CN(S(=O)(=O)c1ccc(F)cc1Cl)[*:1]
CC(C)CCN(C)S(=O)(=O)c1ccc(F)cc1Cl CC(C)C[*:1] CN(C[*:1])S(=O)(=O)c1ccc(F)cc1Cl
O=C(c1ccsc1)N1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 c1cc(cs1)[*:1] O=C(N1CCCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)[*:1]
O=C(c1ccsc1)N1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 FC(F)(F)[*:1] O=C(c1ccsc1)N1CCCN(CC1)c1ccc(cc1[N+](=O)[O-])[*:1]
O=C(c1ccsc1)N1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(c1ccsc1)N1CCCN(CC1)c1ccc(cc1[*:1])C(F)(F)F
CCC[NH2+][C@H](C)CCCN1C(=O)CC(C)CC1=O CCC[*:1] CC1CC(=O)N(CCC[C@@H](C)[NH2+][*:1])C(=O)C1
C=CC[NH2+]CC(=O)N1CCn2cc[nH+]c2C1 C=CC[*:1] O=C(C[NH2+][*:1])N1CCn2cc[nH+]c2C1
C=CC[NH2+]CC(=O)N1CCn2cc[nH+]c2C1 C=CC[NH2+]C[*:1] O=C(N1CCn2cc[nH+]c2C1)[*:1]
CN(C(=O)c1ccc(Cl)nc1Cl)c1ccccc1 c1ccc(cc1)[*:1] CN(C(=O)c1ccc(Cl)nc1Cl)[*:1]
O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)C1CC1 C1CC1[*:1] O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)[*:1]
O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)C1CC1 O=C(N[*:1])C1CC1 c1cc2-c3nc(sc3-c3cccc(c1)c23)[*:1]
CCn1c([O-])c(C(=O)Nc2cccc(Br)c2)c(=O)c2ccccc21 Brc1cccc(c1)[*:1] CCn1c([O-])c(C(=O)N[*:1])c(=O)c2ccccc21
CC(C)(CN1CCC[C@H](Oc2ccccc2Cl)C1)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CN1CCC[C@@H](C1)Oc1ccccc1Cl)[*:1]
CC(C)(CN1CCC[C@H](Oc2ccccc2Cl)C1)S(C)(=O)=O Clc1ccccc1[*:1] CC(C)(CN1CCC[C@@H](C1)O[*:1])S(C)(=O)=O
CC(C)(CN1CCC[C@H](Oc2ccccc2Cl)C1)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] Clc1ccccc1O[C@H]1CCCN(C1)C[*:1]
CNC(=O)c1ccccc1CSc1nc2ccccc2o1 CNC(=O)[*:1] c1ccc(c(c1)CSc1nc2ccccc2o1)[*:1]
COC(=O)[C@H](C)SCC(=O)N[C@H](C)c1cccc2ccccc12 COC(=O)[C@H](C)[*:1] C[C@@H](NC(=O)CS[*:1])c1cccc2ccccc12
COC(=O)[C@H](C)SCC(=O)N[C@H](C)c1cccc2ccccc12 COC(=O)[*:1] C[C@H](SCC(=O)N[C@H](C)c1cccc2ccccc12)[*:1]
COC(=O)[C@H](C)SCC(=O)N[C@H](C)c1cccc2ccccc12 COC(=O)[C@H](C)S[*:1] C[C@@H](NC(=O)C[*:1])c1cccc2ccccc12
COc1ccc(C[NH+](C)Cc2ccon2)cc1O c1cc(no1)[*:1] COc1ccc(cc1O)C[NH+](C)C[*:1]
COc1ccc(C[NH+](C)Cc2ccon2)cc1O c1cc(C[*:1])no1 COc1ccc(cc1O)C[NH+](C)[*:1]
C[C@@H]1CN(c2ccccc2CN2CCN(C3=[NH+]C[C@@H](C)S3)CC2)C[C@@H](C)O1 C[C@@H]1CN(C[C@@H](C)O1)[*:1] C[C@@H]1C[NH+]=C(S1)N1CCN(CC1)Cc1ccccc1[*:1]
COC(=O)CNC(=O)Cc1csc(-c2cccc(C)c2)n1 COC(=O)[*:1] Cc1cccc(c1)-c1nc(cs1)CC(=O)NC[*:1]
COC(=O)CNC(=O)Cc1csc(-c2cccc(C)c2)n1 COC(=O)C[*:1] Cc1cccc(c1)-c1nc(cs1)CC(=O)N[*:1]
COC(=O)CNC(=O)Cc1csc(-c2cccc(C)c2)n1 Cc1cccc(c1)[*:1] COC(=O)CNC(=O)Cc1csc(n1)[*:1]
COc1ccccc1CN(C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1)C1CC1 Cc1ccc(C)c(c1)[*:1] COc1ccccc1CN(C(=O)C1CCC(=O)N(N=1)[*:1])C1CC1
COc1ccccc1CN(C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1)C1CC1 C1CC1[*:1] COc1ccccc1CN(C(=O)C1CCC(=O)N(N=1)c1cc(C)ccc1C)[*:1]
COc1ccccc1CN(C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1)C1CC1 COc1ccccc1[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)N(C[*:1])C1CC1
COc1ccccc1CN(C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1)C1CC1 COc1ccccc1C[*:1] Cc1ccc(C)c(c1)N1N=C(CCC1=O)C(=O)N(C1CC1)[*:1]
CC(C)c1cc(C(=O)NCc2ccc([S@](C)=O)cc2)n[nH]1 CC(C)[*:1] C[S@](=O)c1ccc(cc1)CNC(=O)c1cc([nH]n1)[*:1]
CC(C)c1cc(C(=O)NCc2ccc([S@](C)=O)cc2)n[nH]1 C[S@](=O)[*:1] CC(C)c1cc(n[nH]1)C(=O)NCc1ccc(cc1)[*:1]
C[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] C[C@H]1C(=O)N2CCCC[C@H]2C(=O)N1C[*:1]
O=C(Cc1ccccc1)OCC[NH+]1CCc2n[nH]cc2C1 c1ccc(cc1)C[*:1] O=C(OCC[NH+]1CCc2n[nH]cc2C1)[*:1]
O=C(Cc1ccccc1)OCC[NH+]1CCc2n[nH]cc2C1 c1ccc(cc1)[*:1] O=C(C[*:1])OCC[NH+]1CCc2n[nH]cc2C1
C[NH+](CC(=O)NCc1ccccc1F)Cc1ccccc1N1CCOCC1 Fc1ccccc1C[*:1] C[NH+](CC(=O)N[*:1])Cc1ccccc1N1CCOCC1
C[NH+](CC(=O)NCc1ccccc1F)Cc1ccccc1N1CCOCC1 C1CN(CCO1)[*:1] C[NH+](CC(=O)NCc1ccccc1F)Cc1ccccc1[*:1]
C[NH+](CC(=O)NCc1ccccc1F)Cc1ccccc1N1CCOCC1 Fc1ccccc1[*:1] C[NH+](CC(=O)NC[*:1])Cc1ccccc1N1CCOCC1
C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(Br)cc1 c1ccc(nc1)[*:1] C[C@@H](S[*:1])C(=O)Nc1ccc(Br)cc1
COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N=C(Nc2ccc(F)cc2)N1 COc1ccc(Cl)cc1[*:1] O=C1C[C@@H](NC(=N1)Nc1ccc(F)cc1)C(=O)N[*:1]
COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N=C(Nc2ccc(F)cc2)N1 Fc1ccc(cc1)[*:1] COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N=C(N1)N[*:1]
CC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(=O)[*:1] CC(C)(C)OC(=O)N1CCC[C@H](C1)[*:1]
CC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 CC(C)(C)[*:1] CC(=O)[C@@H]1CCCN(C1)C(=O)O[*:1]
CC(C)(C)c1csc(C[C@@H]2CC[C@@H](Cl)C2)n1 CC(C)(C)[*:1] Cl[C@@H]1CC[C@@H](Cc2nc(cs2)[*:1])C1
O=C(OCc1cc(F)cc2c1OCOC2)c1cc(-c2ccco2)[nH]n1 c1coc(c1)[*:1] O=C(OCc1cc(F)cc2COCOc21)c1cc([nH]n1)[*:1]
CCc1ccc(-c2cn3c(C(=O)N(C)[C@H](C)c4ccon4)csc3n2)cc1 CCc1ccc(cc1)[*:1] C[C@H](c1ccon1)N(C)C(=O)c1csc2nc(cn12)[*:1]
CCc1ccc(-c2cn3c(C(=O)N(C)[C@H](C)c4ccon4)csc3n2)cc1 c1cc(no1)[*:1] CCc1ccc(cc1)-c1cn2c(csc2n1)C(=O)N(C)[C@H](C)[*:1]
CC(C)(C)OC(=O)N1CC[C@@]2(C1)NC(=O)NC2=O CC(C)(C)[*:1] O=C1NC(=O)[C@@]2(CCN(C2)C(=O)O[*:1])N1
Cc1nnsc1C(=O)N1CCC(CNC(=O)Cn2c(=O)oc3ccccc32)CC1 Cc1nnsc1[*:1] O=C(Cn1c(=O)oc2ccccc21)NCC1CCN(CC1)C(=O)[*:1]
CC(C)COc1cccc(C(=O)N(C)C)c1 CC(C)CO[*:1] CN(C)C(=O)c1cccc(c1)[*:1]
CC(C)COc1cccc(C(=O)N(C)C)c1 CN(C)C(=O)[*:1] CC(C)COc1cccc(c1)[*:1]
CC(C)COc1cccc(C(=O)N(C)C)c1 CC(C)[*:1] CN(C)C(=O)c1cccc(c1)OC[*:1]
CC(C)COc1cccc(C(=O)N(C)C)c1 CC(C)C[*:1] CN(C)C(=O)c1cccc(c1)O[*:1]
CNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O FC(F)(F)[*:1] CNC(=O)CN(c1cc(ccc1Cl)[*:1])S(C)(=O)=O
CNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O CNC(=O)[*:1] CS(=O)(=O)N(C[*:1])c1cc(ccc1Cl)C(F)(F)F
CNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O CNC(=O)C[*:1] CS(=O)(=O)N(c1cc(ccc1Cl)C(F)(F)F)[*:1]
Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cn3c(C)cccc3n2)cc1C Cc1ccc(cc1C)[*:1] Cc1cccc2nc(cn12)C(=O)O[C@H](C)C(=O)[*:1]
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N[*:1]
COCCNC(=O)c1ccc(N2CCC[C@@H](CNC(C)=O)C2)nc1 COCC[*:1] CC(=O)NC[C@@H]1CCCN(C1)c1ccc(cn1)C(=O)N[*:1]
COCCNC(=O)c1ccc(N2CCC[C@@H](CNC(C)=O)C2)nc1 CC(=O)NC[*:1] COCCNC(=O)c1ccc(nc1)N1CCC[C@@H](C1)[*:1]
COCCNC(=O)c1ccc(N2CCC[C@@H](CNC(C)=O)C2)nc1 COCCNC(=O)[*:1] CC(=O)NC[C@@H]1CCCN(C1)c1ccc(cn1)[*:1]
COCCNC(=O)c1ccc(N2CCC[C@@H](CNC(C)=O)C2)nc1 COC[*:1] CC(=O)NC[C@@H]1CCCN(C1)c1ccc(cn1)C(=O)NC[*:1]
COCCNC(=O)c1ccc(N2CCC[C@@H](CNC(C)=O)C2)nc1 CC(=O)N[*:1] COCCNC(=O)c1ccc(nc1)N1CCC[C@H](C1)C[*:1]
CN(CC(=O)NC1CC1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 NC(=O)[*:1] CN(CC(=O)NC1CC1)C(=O)C1C[C@@H](N(N=1)c1ccc(F)cc1)[*:1]
CN(CC(=O)NC1CC1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 Fc1ccc(cc1)[*:1] CN(CC(=O)NC1CC1)C(=O)C1C[C@@H](C(N)=O)N(N=1)[*:1]
CN(CC(=O)NC1CC1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 O=C(C[*:1])NC1CC1 CN(C(=O)C1C[C@@H](C(N)=O)N(N=1)c1ccc(F)cc1)[*:1]
CN(CC(=O)NC1CC1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 O=C(NC1CC1)[*:1] CN(C[*:1])C(=O)C1C[C@@H](C(N)=O)N(N=1)c1ccc(F)cc1
CN(CC(=O)NC1CC1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 C1CC1[*:1] CN(CC(=O)N[*:1])C(=O)C1C[C@@H](C(N)=O)N(N=1)c1ccc(F)cc1
COC(=O)c1sc2nc(C)nc(N(C)CC[C@H](C)O)c2c1C C[C@H](O)[*:1] COC(=O)c1sc2nc(C)nc(c2c1C)N(C)CC[*:1]
COC(=O)c1sc2nc(C)nc(N(C)CC[C@H](C)O)c2c1C C[C@H](O)C[*:1] COC(=O)c1sc2nc(C)nc(c2c1C)N(C)C[*:1]
COC(=O)c1sc2nc(C)nc(N(C)CC[C@H](C)O)c2c1C C[C@H](O)CCN(C)[*:1] COC(=O)c1sc2nc(C)nc(c2c1C)[*:1]
COC(=O)c1sc2nc(C)nc(N(C)CC[C@H](C)O)c2c1C COC(=O)[*:1] Cc1nc(c2c(C)c(sc2n1)[*:1])N(C)CC[C@H](C)O
C[C@H](CN1CCOCC1)[NH2+]Cc1cc(C(=O)[O-])cs1 C1CN(CCO1)[*:1] C[C@H](C[*:1])[NH2+]Cc1cc(cs1)C(=O)[O-]
C[C@H](CN1CCOCC1)[NH2+]Cc1cc(C(=O)[O-])cs1 O=C([O-])[*:1] C[C@H](CN1CCOCC1)[NH2+]Cc1cc(cs1)[*:1]
CCN(CC)C(=O)[C@H](Sc1nncn1C(C)(C)C)c1ccccc1 CC(C)(C)[*:1] CCN(CC)C(=O)[C@H](Sc1nncn1[*:1])c1ccccc1
CCN(CC)C(=O)[C@H](Sc1nncn1C(C)(C)C)c1ccccc1 CCN(CC)C(=O)[*:1] CC(C)(C)n1cnnc1S[C@H](c1ccccc1)[*:1]
CCN(CC)C(=O)[C@H](Sc1nncn1C(C)(C)C)c1ccccc1 c1ccc(cc1)[*:1] CCN(CC)C(=O)[C@H](Sc1nncn1C(C)(C)C)[*:1]
CSCC(=O)NNC(=O)CO[C@@H]1CCCC[C@@H]1C CSC[*:1] C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)[*:1]
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 Fc1ccc(cc1)[*:1] C[C@H]1C[C@H](CN1C(=O)N[C@@H]1CC[C@@H](C1)[NH+](C)C)[*:1]
C[C@@H]1CCC[C@@]2(CC(=O)NC(=O)[C@@H]2c2cccc(F)c2)C1 Fc1cccc(c1)[*:1] C[C@@H]1CCC[C@@]2(CC(=O)NC(=O)[C@H]2[*:1])C1
CCC[C@@H](C)C(=O)N(CC)c1ccccc1 CCC[*:1] CCN(C(=O)[C@H](C)[*:1])c1ccccc1
CCC[C@@H](C)C(=O)N(CC)c1ccccc1 CCC[C@@H](C)[*:1] CCN(C(=O)[*:1])c1ccccc1
COC(=O)C1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)CC1 COC(=O)[*:1] CC1(C)[C@@]2(CC[C@@]1(C)C(=O)C2)C(=O)N1CCC(CC1)[*:1]
COCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 COCCCNC(=O)[*:1] N#C[C@@H](c1nc2ccccc2nc1N1CCCCCC1)[*:1]
COCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 COCC[*:1] N#C[C@H](C(=O)NC[*:1])c1nc2ccccc2nc1N1CCCCCC1
COCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 COCCC[*:1] N#C[C@H](C(=O)N[*:1])c1nc2ccccc2nc1N1CCCCCC1
COCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 COC[*:1] N#C[C@H](C(=O)NCC[*:1])c1nc2ccccc2nc1N1CCCCCC1
COCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 C1CCCN(CC1)[*:1] COCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1[*:1]
C[C@H]1CC[C@H](C)[C@@](C[NH3+])(N(C)CCc2cccs2)C1 c1csc(c1)C[*:1] C[C@H]1CC[C@H](C)[C@](C[NH3+])(C1)N(C)C[*:1]
C[C@H]1CC[C@H](C)[C@@](C[NH3+])(N(C)CCc2cccs2)C1 c1csc(c1)[*:1] C[C@H]1CC[C@H](C)[C@](C[NH3+])(C1)N(C)CC[*:1]
CCS(=O)(=O)CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 CCS(=O)(=O)[*:1] CN(Cc1cccc(c1)C(F)(F)F)C(=O)C[*:1]
CCS(=O)(=O)CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCS(=O)(=O)CC(=O)N(C)Cc1cccc(c1)[*:1]
CCS(=O)(=O)CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 CCS(=O)(=O)C[*:1] CN(Cc1cccc(c1)C(F)(F)F)C(=O)[*:1]
CC[C@H](OC(=O)c1ccnnc1C)c1cc(C)ccc1OC Cc1nnccc1[*:1] CC[C@H](OC(=O)[*:1])c1cc(C)ccc1OC
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2Cl)ccc1F Cc1ccc(c(Cl)c1)[*:1] CCN(CC)S(=O)(=O)c1cc(ccc1F)C(=O)N[*:1]
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2Cl)ccc1F CCN(CC)S(=O)(=O)[*:1] Cc1ccc(NC(=O)c2ccc(F)c(c2)[*:1])c(Cl)c1
COc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cn1 CC(=O)NC[*:1] COc1ccc(cn1)C(=O)Nc1nc(cs1)-c1ccc(o1)[*:1]
COc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cn1 CC(=O)N[*:1] COc1ccc(cn1)C(=O)Nc1nc(cs1)-c1ccc(C[*:1])o1
COc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cn1 COc1ccc(cn1)[*:1] CC(=O)NCc1ccc(o1)-c1csc(n1)NC(=O)[*:1]
CC(C)CN1C[C@H](C(=O)N2CCn3c(C(N)=O)cnc3C2)CC1=O CC(C)[*:1] NC(=O)c1cnc2CN(CCn12)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
CC(C)CN1C[C@H](C(=O)N2CCn3c(C(N)=O)cnc3C2)CC1=O CC(C)C[*:1] NC(=O)c1cnc2CN(CCn12)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
CC(C)CN1C[C@H](C(=O)N2CCn3c(C(N)=O)cnc3C2)CC1=O NC(=O)[*:1] CC(C)CN1C[C@@H](CC1=O)C(=O)N1CCn2c(cnc2C1)[*:1]
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H](n2cccn2)C1 N#Cc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)N1CCC[C@@H](C1)n1cccn1
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H](n2cccn2)C1 c1cnn(c1)[*:1] C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H](C1)[*:1]
O=C(NCc1cccc(-n2cccn2)c1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 c1cnn(c1)[*:1] O=C(NCc1cccc(c1)[*:1])N[C@@H]1CCC[C@@H]2OCC[C@@H]21
CCc1cccc(C)c1NC(=O)NCc1ccccc1C Cc1ccccc1[*:1] CCc1cccc(C)c1NC(=O)NC[*:1]
CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H](C)Cc1cccs1 c1csc(c1)C[*:1] CSc1nc(nc(C)c1C(=O)N[C@H](C)[*:1])C(C)C
CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H](C)Cc1cccs1 CC(C)[*:1] CSc1nc(nc(C)c1C(=O)N[C@H](C)Cc1cccs1)[*:1]
CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H](C)Cc1cccs1 c1csc(c1)[*:1] CSc1nc(nc(C)c1C(=O)N[C@H](C)C[*:1])C(C)C
CC1(C)CC(=O)c2c(-c3cccnc3)n[nH]c2C1 c1cncc(c1)[*:1] CC1(C)CC(=O)c2c(n[nH]c2C1)[*:1]
Cc1cccc(-c2nnc(C)c(NCc3ccco3)n2)c1 Cc1cccc(c1)[*:1] Cc1nnc(nc1NCc1ccco1)[*:1]
Cc1cccc(-c2nnc(C)c(NCc3ccco3)n2)c1 c1coc(c1)C[*:1] Cc1cccc(c1)-c1nnc(C)c(n1)N[*:1]
Cc1cccc(-c2nnc(C)c(NCc3ccco3)n2)c1 c1coc(c1)[*:1] Cc1cccc(c1)-c1nnc(C)c(n1)NC[*:1]
Cc1cccc(-c2nnc(C)c(NCc3ccco3)n2)c1 c1coc(c1)CN[*:1] Cc1cccc(c1)-c1nnc(C)c(n1)[*:1]
O=C(CC1CCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccccc1F C1CCC(C1)C[*:1] O=C(N1CCC[C@H]1c1n[nH]cc1-c1ccccc1F)[*:1]
O=C(CC1CCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccccc1F C1CCC(C1)[*:1] O=C(C[*:1])N1CCC[C@H]1c1n[nH]cc1-c1ccccc1F
O=C(CC1CCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccccc1F Fc1ccccc1[*:1] O=C(CC1CCCC1)N1CCC[C@H]1c1n[nH]cc1[*:1]
COc1ccc(C(=O)N2N=C(c3ccncc3)C[C@]2(O)C(F)(F)F)cc1 COc1ccc(cc1)[*:1] O=C(N1N=C(C[C@]1(O)C(F)(F)F)c1ccncc1)[*:1]
COc1ccc(C(=O)N2N=C(c3ccncc3)C[C@]2(O)C(F)(F)F)cc1 c1cc(ccn1)[*:1] COc1ccc(cc1)C(=O)N1N=C(C[C@]1(O)C(F)(F)F)[*:1]
COc1ccc(C(=O)N2N=C(c3ccncc3)C[C@]2(O)C(F)(F)F)cc1 FC(F)(F)[*:1] COc1ccc(cc1)C(=O)N1N=C(C[C@@]1(O)[*:1])c1ccncc1
CCCC1CCC(NS(=O)(=O)c2cnn(C)c2)CC1 CCC[*:1] Cn1cc(cn1)S(=O)(=O)NC1CCC(CC1)[*:1]
CCCC1CCC(NS(=O)(=O)c2cnn(C)c2)CC1 Cn1cc(cn1)[*:1] CCCC1CCC(CC1)NS(=O)(=O)[*:1]
CCOc1ccc(NC(=O)CSc2ncnc3c2sc2ccccc23)cc1 CCOc1ccc(cc1)[*:1] O=C(CSc1ncnc2c1sc1ccccc12)N[*:1]
CCOc1ccc(NC(=O)CSc2ncnc3c2sc2ccccc23)cc1 CCO[*:1] O=C(CSc1ncnc2c1sc1ccccc12)Nc1ccc(cc1)[*:1]
C[C@H](C(N)=O)N1C[C@@H](c2ccc(Cl)cc2)CC1=O C[C@H](C(N)=O)[*:1] O=C1C[C@@H](CN1[*:1])c1ccc(Cl)cc1
C[C@H](C(N)=O)N1C[C@@H](c2ccc(Cl)cc2)CC1=O NC(=O)[*:1] C[C@H](N1C[C@H](CC1=O)c1ccc(Cl)cc1)[*:1]
O=c1[nH]c(CCC(F)(F)F)nc2cccc(F)c12 FC(F)(F)CC[*:1] O=c1[nH]c(nc2cccc(F)c12)[*:1]
O=c1[nH]c(CCC(F)(F)F)nc2cccc(F)c12 FC(F)(F)[*:1] O=c1[nH]c(CC[*:1])nc2cccc(F)c12
O=c1[nH]c(CCC(F)(F)F)nc2cccc(F)c12 FC(F)(F)C[*:1] O=c1[nH]c(C[*:1])nc2cccc(F)c12
O=C(CSc1nn(-c2ccccc2)c(=S)s1)N[C@H]1CCCc2ccccc21 c1ccc(cc1)[*:1] O=C(CSc1nn(c(=S)s1)[*:1])N[C@H]1CCCc2ccccc21
Cc1ccc([C@@H](C)CNc2ccc(C(N)=O)nn2)cc1 NC(=O)[*:1] Cc1ccc(cc1)[C@@H](C)CNc1ccc(nn1)[*:1]
CC1(C)[C@H]2CN(C(=O)c3cccc(SCC#N)c3)C[C@H]21 N#CCS[*:1] CC1(C)[C@H]2CN(C[C@H]21)C(=O)c1cccc(c1)[*:1]
CC1(C)[C@H]2CN(C(=O)c3cccc(SCC#N)c3)C[C@H]21 N#CC[*:1] CC1(C)[C@H]2CN(C[C@H]21)C(=O)c1cccc(c1)S[*:1]
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3nnnn32)ccc1OCc1ccc(Br)cc1 Brc1ccc(cc1)C[*:1] COc1cc(ccc1O[*:1])[C@@H]1C2C(=O)CCCC=2Nc2nnnn21
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3nnnn32)ccc1OCc1ccc(Br)cc1 Brc1ccc(cc1)[*:1] COc1cc(ccc1OC[*:1])[C@@H]1C2C(=O)CCCC=2Nc2nnnn21
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3nnnn32)ccc1OCc1ccc(Br)cc1 Brc1ccc(cc1)CO[*:1] COc1cc(ccc1[*:1])[C@@H]1C2C(=O)CCCC=2Nc2nnnn21
O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 O=C(Nc1ccc(F)cc1)[*:1] O=C(CN1CCN(CC1)C(=O)C1CC1)Nc1ccccc1[*:1]
O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 C1CC1[*:1] O=C(CN1CCN(CC1)C(=O)[*:1])Nc1ccccc1C(=O)Nc1ccc(F)cc1
O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CN1CCN(CC1)C(=O)C1CC1)Nc1ccccc1C(=O)N[*:1]
O=C(CCOc1ccccc1F)NCc1nc(-c2cccs2)n[nH]1 Fc1ccccc1[*:1] O=C(CCO[*:1])NCc1nc(n[nH]1)-c1cccs1
O=C(CCOc1ccccc1F)NCc1nc(-c2cccs2)n[nH]1 Fc1ccccc1O[*:1] O=C(CC[*:1])NCc1nc(n[nH]1)-c1cccs1
O=C(CCOc1ccccc1F)NCc1nc(-c2cccs2)n[nH]1 c1csc(c1)[*:1] O=C(CCOc1ccccc1F)NCc1nc(n[nH]1)[*:1]
CC(=O)NCc1ccc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1 CC(=O)N[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)C[*:1])c1ccc(F)cc1
CC(=O)NCc1ccc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(=O)NCc1ccc(cc1)C(=O)NC[C@@](C)(O)[*:1]
CC(=O)NCc1ccc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1 CC(=O)NC[*:1] C[C@@](O)(CNC(=O)c1ccc(cc1)[*:1])c1ccc(F)cc1
CCCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1 CCC[*:1] Cc1cc(Cl)ccc1NC(=O)C1CCN(CC1)C(=O)[*:1]
Cc1ccnc(NNC(=O)C[NH+](C)C(C)C)c1 CC(C)[*:1] Cc1ccnc(c1)NNC(=O)C[NH+](C)[*:1]
Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4cnn(C(C)C)c4)C3)noc2n1 CC(C)n1cc(cn1)[*:1] Cc1cc(c2c(noc2n1)[C@H]1CCCN(C1)C(=O)[*:1])C(F)(F)F
Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4cnn(C(C)C)c4)C3)noc2n1 FC(F)(F)[*:1] Cc1cc(c2c(noc2n1)[C@H]1CCCN(C1)C(=O)c1cnn(c1)C(C)C)[*:1]
Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4cnn(C(C)C)c4)C3)noc2n1 CC(C)[*:1] Cc1cc(c2c(noc2n1)[C@H]1CCCN(C1)C(=O)c1cnn(c1)[*:1])C(F)(F)F
CC(=O)N1CC[C@@H](c2nn(CCNC(=O)[C@H]3CC=CCC3)c3ncccc23)C1 CC(=O)N1CC[C@@H](C1)[*:1] O=C(NCCn1nc(c2cccnc21)[*:1])[C@H]1CC=CCC1
CO[C@H](C)c1cccc(N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 CO[C@H](C)[*:1] O=C1[C@@H](CCCN1Cc1ccccc1)Nc1cccc(c1)[*:1]
CO[C@H](C)c1cccc(N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)C[*:1] CO[C@H](C)c1cccc(c1)N[C@@H]1CCCN(C1=O)[*:1]
CO[C@H](C)c1cccc(N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 c1ccc(cc1)[*:1] CO[C@H](C)c1cccc(c1)N[C@@H]1CCCN(C[*:1])C1=O
CN1C(=O)c2ccccc2N[C@H]1c1cccc(C(N)=O)c1 NC(=O)[*:1] CN1C(=O)c2ccccc2N[C@H]1c1cccc(c1)[*:1]
O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCCCC2)c1ccccc1 c1cncc(c1)[*:1] O=C(Nc1sc2CCCCCc2c1C(=O)NC[*:1])c1ccccc1
O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCCCC2)c1ccccc1 c1cncc(c1)C[*:1] O=C(Nc1sc2CCCCCc2c1C(=O)N[*:1])c1ccccc1
O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCCCC2)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1cccnc1)c1c(NC(=O)[*:1])sc2CCCCCc21
O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCCCC2)c1ccccc1 O=C(N[*:1])c1ccccc1 O=C(NCc1cccnc1)c1c(sc2CCCCCc21)[*:1]
Cc1cccc(C(=O)NCCn2nc(-c3cccnc3)ccc2=O)c1 Cc1cccc(c1)[*:1] O=C(NCCn1nc(ccc1=O)-c1cccnc1)[*:1]
Cc1cccc(C(=O)NCCn2nc(-c3cccnc3)ccc2=O)c1 c1cncc(c1)[*:1] Cc1cccc(c1)C(=O)NCCn1nc(ccc1=O)[*:1]
O=C(COc1ccc(Cl)cc1C(=O)[O-])NC1CC1 C1CC1[*:1] O=C(COc1ccc(Cl)cc1C(=O)[O-])N[*:1]
O=C(COc1ccc(Cl)cc1C(=O)[O-])NC1CC1 O=C(NC1CC1)[*:1] O=C([O-])c1cc(Cl)ccc1OC[*:1]
O=C(COc1ccc(Cl)cc1C(=O)[O-])NC1CC1 O=C([O-])[*:1] O=C(COc1ccc(Cl)cc1[*:1])NC1CC1
CCC[C@@H]1C[C@@H](Nc2cc(OC)ccc2F)CCO1 CCC[*:1] COc1ccc(F)c(c1)N[C@H]1CCO[C@@H](C1)[*:1]
NC(=O)c1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] NC(=O)c1ccc(/C=C/C(=O)N2CCN(CC2)C[*:1])cc1
NC(=O)c1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCN(CC1)Cc1ccccc1
NC(=O)c1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] NC(=O)c1ccc(/C=C/C(=O)N2CCN(CC2)[*:1])cc1
COC[C@@H](O)CNC(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 COC[C@@H](O)C[*:1] C[C@@H](NC(=O)N[*:1])c1ccc(s1)-c1ccc(Cl)cc1
COC[C@@H](O)CNC(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 COC[C@@H](O)[*:1] C[C@@H](NC(=O)NC[*:1])c1ccc(s1)-c1ccc(Cl)cc1
COC[C@@H](O)CNC(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 Clc1ccc(cc1)[*:1] COC[C@@H](O)CNC(=O)N[C@H](C)c1ccc(s1)[*:1]
COC[C@@H](O)CNC(=O)N[C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 COC[*:1] C[C@@H](NC(=O)NC[C@H](O)[*:1])c1ccc(s1)-c1ccc(Cl)cc1
O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(C[C@H]1C=CCC1)N1CCN(CC1)S(=O)(=O)[*:1]
O=C([C@H]1CCCO1)N1CCc2ccc(Br)cc21 C1CO[C@H](C1)[*:1] O=C(N1CCc2ccc(Br)cc21)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)C(C)C CC(C)[*:1] CC(=O)N[C@@H](C(=O)Nc1ccc(cc1)C(N)=O)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)C(C)C CC(=O)N[*:1] CC(C)[C@H](C(=O)Nc1ccc(cc1)C(N)=O)[*:1]
CC(=O)N[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)C(C)C NC(=O)[*:1] CC(=O)N[C@@H](C(=O)Nc1ccc(cc1)[*:1])C(C)C
O=C(NC[C@@H](O)c1cccc2ccccc12)C(=O)Nc1ccccc1Cl Clc1ccccc1[*:1] O=C(NC[C@@H](O)c1cccc2ccccc12)C(=O)N[*:1]
Cc1cc(C)n(-c2cncc(NCCCCn3cnnc3)n2)n1 c1nncn1CC[*:1] Cc1cc(C)n(n1)-c1cncc(n1)NCC[*:1]
Cc1cc(C)n(-c2cncc(NCCCCn3cnnc3)n2)n1 c1nncn1C[*:1] Cc1cc(C)n(n1)-c1cncc(n1)NCCC[*:1]
Cc1cc(C)n(-c2cncc(NCCCCn3cnnc3)n2)n1 Cc1cc(C)n(n1)[*:1] c1ncc(nc1NCCCCn1cnnc1)[*:1]
Cc1cc(C)n(-c2cncc(NCCCCn3cnnc3)n2)n1 c1nncn1[*:1] Cc1cc(C)n(n1)-c1cncc(n1)NCCCC[*:1]
CCCc1[nH]ncc1C[NH2+]C CCC[*:1] C[NH2+]Cc1cn[nH]c1[*:1]
N#Cc1csc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c1 N#Cc1csc(c1)[*:1] O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[*:1]
N#Cc1csc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c1 c1csc(n1)[*:1] N#Cc1csc(c1)C(=O)N1CCC[C@H]1C(=O)N[*:1]
CC(C)N(CC(C)(C)O)C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)[*:1] CC(C)(O)CN(C(=O)c1ccnc(c1)OC(C)(C)C)[*:1]
CC(C)N(CC(C)(C)O)C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)[*:1] CC(C)N(CC(C)(C)O)C(=O)c1ccnc(c1)O[*:1]
CC(C)N(CC(C)(C)O)C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(C)O[*:1] CC(C)N(CC(C)(C)O)C(=O)c1ccnc(c1)[*:1]
CC(C)N(CC(C)(C)O)C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(O)C[*:1] CC(C)N(C(=O)c1ccnc(c1)OC(C)(C)C)[*:1]
CC(C)N(CC(C)(C)O)C(=O)c1ccnc(OC(C)(C)C)c1 CC(C)(O)[*:1] CC(C)N(C[*:1])C(=O)c1ccnc(c1)OC(C)(C)C
CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)cc1 CCO[*:1] CC(=O)Nc1ccc(cc1)NC(=O)/C=C/c1ccc(cc1)[*:1]
CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)cc1 CC(=O)N[*:1] CCOc1ccc(/C=C/C(=O)Nc2ccc(cc2)[*:1])cc1
Cc1nc(C[NH+]2CCCn3nc(CCC(=O)NC4CC4)cc3C2)cs1 Cc1nc(cs1)C[*:1] O=C(CCc1cc2C[NH+](CCCn2n1)[*:1])NC1CC1
Cc1nc(C[NH+]2CCCn3nc(CCC(=O)NC4CC4)cc3C2)cs1 Cc1nc(cs1)[*:1] O=C(CCc1cc2C[NH+](CCCn2n1)C[*:1])NC1CC1
Cc1nc(C[NH+]2CCCn3nc(CCC(=O)NC4CC4)cc3C2)cs1 O=C(NC1CC1)[*:1] Cc1nc(cs1)C[NH+]1CCCn2nc(cc2C1)CC[*:1]
Cc1nc(C[NH+]2CCCn3nc(CCC(=O)NC4CC4)cc3C2)cs1 C1CC1[*:1] Cc1nc(cs1)C[NH+]1CCCn2nc(cc2C1)CCC(=O)N[*:1]
Cc1nc(C[NH+]2CCCn3nc(CCC(=O)NC4CC4)cc3C2)cs1 O=C(CC[*:1])NC1CC1 Cc1nc(cs1)C[NH+]1CCCn2nc(cc2C1)[*:1]
Cc1nc(C[NH+]2CCCn3nc(CCC(=O)NC4CC4)cc3C2)cs1 O=C(C[*:1])NC1CC1 Cc1nc(cs1)C[NH+]1CCCn2nc(cc2C1)C[*:1]
C[C@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccc(F)cc1F Fc1ccc(c(F)c1)[*:1] C[C@H](NC(=O)N1CCC(CC1)OCc1ccc(F)cc1)[*:1]
C[C@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccc(F)cc1F Fc1ccc(cc1)C[*:1] C[C@H](NC(=O)N1CCC(CC1)O[*:1])c1ccc(F)cc1F
C[C@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccc(F)cc1F Fc1ccc(cc1)CO[*:1] C[C@H](NC(=O)N1CCC(CC1)[*:1])c1ccc(F)cc1F
C[C@H](NC(=O)N1CCC(OCc2ccc(F)cc2)CC1)c1ccc(F)cc1F Fc1ccc(cc1)[*:1] C[C@H](NC(=O)N1CCC(CC1)OC[*:1])c1ccc(F)cc1F
Cc1cc(C)n(C[C@H](C)CNC(=O)NCC2([NH+](C)C)CCOCC2)n1 Cc1cc(C)n(C[*:1])n1 C[C@H](CNC(=O)NCC1(CCOCC1)[NH+](C)C)[*:1]
Cc1cc(C)n(C[C@H](C)CNC(=O)NCC2([NH+](C)C)CCOCC2)n1 Cc1cc(C)n(n1)[*:1] C[C@H](CNC(=O)NCC1(CCOCC1)[NH+](C)C)C[*:1]
C[C@H]1Cc2ccccc2N1C(=O)Cn1ccc(C(F)(F)F)n1 FC(F)(F)[*:1] C[C@H]1Cc2ccccc2N1C(=O)Cn1ccc(n1)[*:1]
Cn1ccnc1[C@@H]1CCCN1CCSc1ccccc1F Cn1ccnc1[*:1] Fc1ccccc1SCCN1CCC[C@H]1[*:1]
Cn1ccnc1[C@@H]1CCCN1CCSc1ccccc1F Fc1ccccc1[*:1] Cn1ccnc1[C@@H]1CCCN1CCS[*:1]
CCOc1ccc(NC(=O)c2ccc3snnc3c2)cc1 CCO[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc2snnc2c1
C[C@H](OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc(=O)n2C c1ccc(cc1)C[*:1] C[C@H](O[*:1])C(=O)Nc1ccc2c(c1)oc(=O)n2C
C[C@H](OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc(=O)n2C c1ccc(cc1)CO[*:1] C[C@H](C(=O)Nc1ccc2c(c1)oc(=O)n2C)[*:1]
C[C@H](OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc(=O)n2C c1ccc(cc1)[*:1] C[C@H](OC[*:1])C(=O)Nc1ccc2c(c1)oc(=O)n2C
Cc1ccc2c(c1)N(C(=O)[C@@H](C)c1ccsc1)CCC2 c1cc(cs1)[*:1] Cc1ccc2CCCN(C(=O)[C@@H](C)[*:1])c2c1
CC1(C)C(=O)CCc2sc(N3CCOCC3)nc21 C1CN(CCO1)[*:1] CC1(C)C(=O)CCc2sc(nc21)[*:1]
O=C(C[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)NC1=O)Nc1cccc(Br)c1 Clc1ccc(cc1)[*:1] O=C(C[C@@H]1S/C(=N\N=C[*:1])NC1=O)Nc1cccc(Br)c1
O=C(C[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)NC1=O)Nc1cccc(Br)c1 Brc1cccc(c1)[*:1] O=C(C[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)NC1=O)N[*:1]
Nc1nnc(CCn2cc(-c3ccc([C@@H]4CCCCO4)s3)nn2)s1 Nc1nnc(CC[*:1])s1 c1cc(sc1-c1cn(nn1)[*:1])[C@@H]1CCCCO1
Nc1nnc(CCn2cc(-c3ccc([C@@H]4CCCCO4)s3)nn2)s1 Nc1nnc(C[*:1])s1 c1cc(sc1-c1cn(C[*:1])nn1)[C@@H]1CCCCO1
Nc1nnc(CCn2cc(-c3ccc([C@@H]4CCCCO4)s3)nn2)s1 Nc1nnc(s1)[*:1] c1cc(sc1-c1cn(CC[*:1])nn1)[C@@H]1CCCCO1
Nc1nnc(CCn2cc(-c3ccc([C@@H]4CCCCO4)s3)nn2)s1 C1CC[C@H](OC1)[*:1] Nc1nnc(CCn2cc(nn2)-c2ccc(s2)[*:1])s1
NC(=O)CN1CC[NH+](Cc2nc(C3CC3)no2)CC1 NC(=O)[*:1] C1CC1c1noc(C[NH+]2CCN(CC2)C[*:1])n1
NC(=O)CN1CC[NH+](Cc2nc(C3CC3)no2)CC1 C1CC1[*:1] NC(=O)CN1CC[NH+](CC1)Cc1nc(no1)[*:1]
NC(=O)CN1CC[NH+](Cc2nc(C3CC3)no2)CC1 NC(=O)C[*:1] C1CC1c1noc(C[NH+]2CCN(CC2)[*:1])n1
C[C@H](Oc1cccc(Cl)c1)C(=O)NCC1(N2CCOCC2)CCCCC1 Clc1cccc(c1)O[*:1] C[C@H](C(=O)NCC1(CCCCC1)N1CCOCC1)[*:1]
C[C@H](Oc1cccc(Cl)c1)C(=O)NCC1(N2CCOCC2)CCCCC1 Clc1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)NCC1(CCCCC1)N1CCOCC1
C[C@H](Oc1cccc(Cl)c1)C(=O)NCC1(N2CCOCC2)CCCCC1 C1CN(CCO1)[*:1] C[C@H](Oc1cccc(Cl)c1)C(=O)NCC1(CCCCC1)[*:1]
CCOCCOCC(=O)Nc1ccc2oc(C)nc2c1 CCOCCO[*:1] Cc1nc2cc(ccc2o1)NC(=O)C[*:1]
CCOCCOCC(=O)Nc1ccc2oc(C)nc2c1 CCO[*:1] Cc1nc2cc(ccc2o1)NC(=O)COCC[*:1]
CCOCCOCC(=O)Nc1ccc2oc(C)nc2c1 CCOC[*:1] Cc1nc2cc(ccc2o1)NC(=O)COC[*:1]
CCOCCOCC(=O)Nc1ccc2oc(C)nc2c1 CCOCC[*:1] Cc1nc2cc(ccc2o1)NC(=O)CO[*:1]
N#Cc1cccc(CNC(=O)Nc2ccc3c4c(cccc24)CC3)c1 N#Cc1cccc(c1)[*:1] O=C(NC[*:1])Nc1ccc2CCc3cccc1c32
[NH3+]C[C@H]1Cc2cc(Cl)cc(-c3cncnc3)c2O1 c1ncc(cn1)[*:1] [NH3+]C[C@H]1Cc2cc(Cl)cc(c2O1)[*:1]
CCOC(=O)c1nn(-c2ccc(F)cc2Cl)c(C)c1C(C)=O CCOC(=O)[*:1] CC(=O)c1c(nn(-c2ccc(F)cc2Cl)c1C)[*:1]
CCOC(=O)c1nn(-c2ccc(F)cc2Cl)c(C)c1C(C)=O CC(=O)[*:1] CCOC(=O)c1nn(-c2ccc(F)cc2Cl)c(C)c1[*:1]
C[C@@H](NC(=O)Nc1cn[nH]c1)c1nc(-c2ccc(Cl)cc2)no1 c1n[nH]cc1[*:1] C[C@@H](NC(=O)N[*:1])c1nc(no1)-c1ccc(Cl)cc1
C[C@@H](NC(=O)Nc1cn[nH]c1)c1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] C[C@@H](NC(=O)Nc1cn[nH]c1)c1nc(no1)[*:1]
CC(=O)N1CCN(CCNc2cc(-c3ccccc3)nc3ncnn23)CC1 c1ccc(cc1)[*:1] CC(=O)N1CCN(CCNc2cc(nc3ncnn23)[*:1])CC1
CC(=O)N1CCN(CCNc2cc(-c3ccccc3)nc3ncnn23)CC1 CC(=O)N1CCN(CC1)[*:1] c1ccc(cc1)-c1cc(NCC[*:1])n2ncnc2n1
CCn1c(Cc2ccccc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 c1ccc(cc1)C[*:1] CCn1c(nnc1[*:1])SCc1nc2ccccc2c(=O)[nH]1
CCn1c(Cc2ccccc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 c1ccc(cc1)[*:1] CCn1c(C[*:1])nnc1SCc1nc2ccccc2c(=O)[nH]1
O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4F)C(=O)[C@@H]13)O2 c1cc2OCCOc2cc1[*:1] O=C(N[*:1])[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)c1ccccc1F)O2
O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4F)C(=O)[C@@H]13)O2 Fc1ccccc1[*:1] O=C(Nc1ccc2OCCOc2c1)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(=O)[C@@H]13)[*:1])O2
CC[C@H]([NH3+])[C@@H](SC1COC1)c1cccc(OC)c1 C1OCC1S[*:1] CC[C@H]([NH3+])[C@@H](c1cccc(c1)OC)[*:1]
CC[C@H]([NH3+])[C@@H](SC1COC1)c1cccc(OC)c1 C1OCC1[*:1] CC[C@H]([NH3+])[C@@H](S[*:1])c1cccc(c1)OC
Cc1ccc([C@@H](C)NC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1F C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)Nc1cnn(c1)[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1F C1CO[C@@H](C1)[*:1] Cc1ccc(cc1F)[C@@H](C)NC(=O)Nc1cnn(c1)C[*:1]
Cc1ccc([C@@H](C)NC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1F Cc1ccc(cc1F)[*:1] C[C@@H](NC(=O)Nc1cnn(c1)C[C@@H]1CCCO1)[*:1]
O=C(N[C@H]1CCCCNC1=O)c1cn(CCCc2ccccc2)nn1 c1ccc(cc1)C[*:1] O=C(N[C@H]1CCCCNC1=O)c1cn(CC[*:1])nn1
O=C(N[C@H]1CCCCNC1=O)c1cn(CCCc2ccccc2)nn1 c1ccc(cc1)CC[*:1] O=C(N[C@H]1CCCCNC1=O)c1cn(C[*:1])nn1
O=C(N[C@H]1CCCCNC1=O)c1cn(CCCc2ccccc2)nn1 c1ccc(cc1)[*:1] O=C(N[C@H]1CCCCNC1=O)c1cn(CCC[*:1])nn1
CCN(C[C@H]1CCCO1)[C@H](C[NH3+])CC(=O)NC C1CO[C@H](C1)[*:1] CCN(C[*:1])[C@H](C[NH3+])CC(=O)NC
CCN(C[C@H]1CCCO1)[C@H](C[NH3+])CC(=O)NC CNC(=O)C[*:1] CCN(C[C@H]1CCCO1)[C@H](C[NH3+])[*:1]
CCN(C[C@H]1CCCO1)[C@H](C[NH3+])CC(=O)NC CNC(=O)[*:1] CCN(C[C@H]1CCCO1)[C@H](C[NH3+])C[*:1]
O=C(Cc1csc(-c2cccs2)n1)Oc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(Cc1csc(n1)-c1cccs1)O[*:1]
O=C(Cc1csc(-c2cccs2)n1)Oc1cccc(F)c1 c1csc(c1)[*:1] O=C(Cc1csc(n1)[*:1])Oc1cccc(F)c1
O=S1(=O)CC[C@H](n2nc(Cc3cccs3)nc2-c2cnccn2)C1 c1cnc(cn1)[*:1] O=S1(=O)CC[C@@H](C1)n1nc(Cc2cccs2)nc1[*:1]
O=S1(=O)CC[C@H](n2nc(Cc3cccs3)nc2-c2cnccn2)C1 c1csc(c1)C[*:1] O=S1(=O)CC[C@@H](C1)n1nc(nc1-c1cnccn1)[*:1]
O=S1(=O)CC[C@H](n2nc(Cc3cccs3)nc2-c2cnccn2)C1 c1csc(c1)[*:1] O=S1(=O)CC[C@@H](C1)n1nc(C[*:1])nc1-c1cnccn1
CC(=O)Oc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c1 CC(=O)O[*:1] O=c1c(-c2cnn(c2)-c2ccccc2)c(oc2cc(ccc12)[*:1])C(F)(F)F
CC(=O)Oc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c1 FC(F)(F)[*:1] CC(=O)Oc1ccc2c(=O)c(-c3cnn(c3)-c3ccccc3)c(oc2c1)[*:1]
CC(=O)Oc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c1 c1ccc(cc1)[*:1] CC(=O)Oc1ccc2c(=O)c(-c3cnn(c3)[*:1])c(oc2c1)C(F)(F)F
[NH3+][C@H](CC(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1)c1ccccc1 OCC[*:1] [NH3+][C@H](CC(=O)N1CCC2(CCC(=O)N(C2)[*:1])CC1)c1ccccc1
[NH3+][C@H](CC(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1)c1ccccc1 c1ccc(cc1)[*:1] [NH3+][C@H](CC(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1)[*:1]
CCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 CC(C)O[*:1] CCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(c(c1)OC)[*:1]
CCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(OC(C)C)c(OC)c1 CC(C)[*:1] CCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(O[*:1])c(c1)OC
COc1ccc(C[C@H](C)CNC(=O)[C@@H]2CCNC(=O)C2)cc1 O=C1C[C@@H](CCN1)[*:1] COc1ccc(cc1)C[C@H](C)CNC(=O)[*:1]
OCC1(C[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)COC1 c1ccc(cc1)C[*:1] OCC1(C[NH2+][C@@H](C2CCCCC2)[*:1])COC1
OCC1(C[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)COC1 c1ccc(cc1)[*:1] OCC1(C[NH2+][C@@H](C[*:1])C2CCCCC2)COC1
OCC1(C[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)COC1 OCC1(COC1)[*:1] c1ccc(cc1)C[C@H]([NH2+]C[*:1])C1CCCCC1
OCC1(C[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)COC1 C1CCC(CC1)[*:1] OCC1(C[NH2+][C@@H](Cc2ccccc2)[*:1])COC1
COc1ccc2c(c1)C=C(C(=O)N1CCC(OCc3ccc(F)cc3)CC1)CO2 Fc1ccc(cc1)CO[*:1] COc1ccc2OCC(=Cc2c1)C(=O)N1CCC(CC1)[*:1]
COc1ccc2c(c1)C=C(C(=O)N1CCC(OCc3ccc(F)cc3)CC1)CO2 Fc1ccc(cc1)[*:1] COc1ccc2OCC(=Cc2c1)C(=O)N1CCC(CC1)OC[*:1]
COc1ccc2c(c1)C=C(C(=O)N1CCC(OCc3ccc(F)cc3)CC1)CO2 Fc1ccc(cc1)C[*:1] COc1ccc2OCC(=Cc2c1)C(=O)N1CCC(CC1)O[*:1]
O=C(NC1CCCCCC1)C1CCN(C(=O)Nc2cccs2)CC1 c1csc(c1)[*:1] O=C(NC1CCCCCC1)C1CCN(CC1)C(=O)N[*:1]
O=C(NC1CCCCCC1)C1CCN(C(=O)Nc2cccs2)CC1 C1CCCC(CC1)[*:1] O=C(N[*:1])C1CCN(CC1)C(=O)Nc1cccs1
C=CCOc1ccc(C(=O)Nc2cccc(F)c2C)cc1OC C=CCO[*:1] COc1cc(ccc1[*:1])C(=O)Nc1cccc(F)c1C
C=CCOc1ccc(C(=O)Nc2cccc(F)c2C)cc1OC C=CC[*:1] COc1cc(ccc1O[*:1])C(=O)Nc1cccc(F)c1C
CC[NH+](Cc1cnn(C)c1)Cc1c[nH]nc1-c1cccc(Cl)c1 Cn1cc(cn1)C[*:1] CC[NH+](Cc1c[nH]nc1-c1cccc(Cl)c1)[*:1]
CC[NH+](Cc1cnn(C)c1)Cc1c[nH]nc1-c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC[NH+](Cc1cnn(C)c1)Cc1c[nH]nc1[*:1]
CC[NH+](Cc1cnn(C)c1)Cc1c[nH]nc1-c1cccc(Cl)c1 Cn1cc(cn1)[*:1] CC[NH+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[*:1]
CCCC(=O)Nc1ccc(NC(=O)c2nnc3nc(C)cc(C)n23)cc1OC CCCC(=O)N[*:1] COc1cc(ccc1[*:1])NC(=O)c1nnc2nc(C)cc(C)n12
CCCC(=O)Nc1ccc(NC(=O)c2nnc3nc(C)cc(C)n23)cc1OC CCC[*:1] COc1cc(ccc1NC(=O)[*:1])NC(=O)c1nnc2nc(C)cc(C)n12
C[C@@H](CC(=O)NCCS(N)(=O)=O)c1ccc(F)cc1 NS(=O)(=O)C[*:1] C[C@@H](CC(=O)NC[*:1])c1ccc(F)cc1
C[C@@H](CC(=O)NCCS(N)(=O)=O)c1ccc(F)cc1 NS(=O)(=O)[*:1] C[C@@H](CC(=O)NCC[*:1])c1ccc(F)cc1
C[C@@H](CC(=O)NCCS(N)(=O)=O)c1ccc(F)cc1 NS(=O)(=O)CC[*:1] C[C@@H](CC(=O)N[*:1])c1ccc(F)cc1
O=C([O-])Cn1nnnc1[C@H]1Cc2ccccc2S1 O=C([O-])[*:1] c1ccc2S[C@H](Cc2c1)c1nnnn1C[*:1]
O=C([O-])Cn1nnnc1[C@H]1Cc2ccccc2S1 O=C([O-])C[*:1] c1ccc2S[C@H](Cc2c1)c1nnnn1[*:1]
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(NC2CCCCC2)s1 C1CCC(CC1)[*:1] C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(N[*:1])s1
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(NC2CCCCC2)s1 C1CCC(CC1)N[*:1] C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(s1)[*:1]
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(NC2CCCCC2)s1 C[C@H]1CCCC[C@@H]1[*:1] C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N[*:1]
Cc1ccccc1CN1C(=O)[C@]2(SCCN2C(=O)c2ccco2)c2ccccc21 Cc1ccccc1[*:1] O=C(c1ccco1)N1CCS[C@]12C(=O)N(C[*:1])c1ccccc12
Cc1ccccc1CN1C(=O)[C@]2(SCCN2C(=O)c2ccco2)c2ccccc21 c1coc(c1)[*:1] Cc1ccccc1CN1C(=O)[C@]2(SCCN2C(=O)[*:1])c2ccccc21
Cc1ccccc1CN1C(=O)[C@]2(SCCN2C(=O)c2ccco2)c2ccccc21 Cc1ccccc1C[*:1] O=C(c1ccco1)N1CCS[C@]12C(=O)N(c1ccccc12)[*:1]
O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O O=C(NC[C@H]1CCCO1)[*:1] O=C(Nc1ccccc1[*:1])c1ccc2C(=O)N(C[C@H]3CCCO3)C(=O)c2c1
CC(C)CCN(C)C(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 CC(C)[*:1] CN(CC[*:1])C(=O)C1CC[NH+](CC1)C1CCN(CC1)c1nc2ccccc2o1
CC(C)CCN(C)C(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 CC(C)CC[*:1] CN(C(=O)C1CC[NH+](CC1)C1CCN(CC1)c1nc2ccccc2o1)[*:1]
CC(C)CCN(C)C(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 CC(C)C[*:1] CN(C[*:1])C(=O)C1CC[NH+](CC1)C1CCN(CC1)c1nc2ccccc2o1
CC(C)CCN(C)C(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 CC(C)CCN(C)C(=O)[*:1] c1ccc2oc(nc2c1)N1CCC(CC1)[NH+]1CCC(CC1)[*:1]
CC(C)CCN(C)C(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 c1ccc2oc(nc2c1)[*:1] CC(C)CCN(C)C(=O)C1CC[NH+](CC1)C1CCN(CC1)[*:1]
CC(=O)N1CCc2cc(NC(=O)c3cc(-c4ccco4)on3)ccc21 c1coc(c1)[*:1] CC(=O)N1CCc2cc(ccc21)NC(=O)c1cc(on1)[*:1]
CCc1onc(C)c1C(=O)NCC1CCC(c2ncncc2-c2ccccn2)CC1 c1ccc(nc1)[*:1] CCc1onc(C)c1C(=O)NCC1CCC(CC1)c1ncncc1[*:1]
CCc1onc(C)c1C(=O)NCC1CCC(c2ncncc2-c2ccccn2)CC1 CCc1onc(C)c1[*:1] O=C(NCC1CCC(CC1)c1ncncc1-c1ccccn1)[*:1]
CC(C)=CC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F CC(C)=C[*:1] O=C(Nc1cc(ccc1F)-c1nnc2CCCCCn21)[*:1]
CC(C)=CC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F CC(C)=CC(=O)N[*:1] Fc1ccc(cc1[*:1])-c1nnc2CCCCCn21
O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)CSc1ccccn1)CC2 c1ccc(nc1)[*:1] O=C(Nc1ccccc1)[C@@H]1CC12CCN(CC2)C(=O)CS[*:1]
O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)CSc1ccccn1)CC2 O=C(Nc1ccccc1)[*:1] O=C(CSc1ccccn1)N1CCC2(CC1)C[C@H]2[*:1]
O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)CSc1ccccn1)CC2 c1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CC12CCN(CC2)C(=O)CSc1ccccn1
O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)CSc1ccccn1)CC2 c1ccc(nc1)S[*:1] O=C(Nc1ccccc1)[C@@H]1CC12CCN(CC2)C(=O)C[*:1]
O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)CSc1ccccn1)CC2 c1ccc(nc1)SC[*:1] O=C(Nc1ccccc1)[C@@H]1CC12CCN(CC2)C(=O)[*:1]
CCOCCC(=O)N(C)[C@@H](C)c1ccncc1 CCO[*:1] C[C@@H](c1ccncc1)N(C)C(=O)CC[*:1]
CCOCCC(=O)N(C)[C@@H](C)c1ccncc1 CCOC[*:1] C[C@@H](c1ccncc1)N(C)C(=O)C[*:1]
CCOCCC(=O)N(C)[C@@H](C)c1ccncc1 CCOCC[*:1] C[C@@H](c1ccncc1)N(C)C(=O)[*:1]
CN(C[C@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 FC(F)(F)[*:1] CN(C[C@H]1CCCO1)C(=O)Nc1cc(ccc1N1CCOCC1)[*:1]
CN(C[C@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 C1CN(CCO1)[*:1] CN(C[C@H]1CCCO1)C(=O)Nc1cc(ccc1[*:1])C(F)(F)F
C[NH2+]C[C@H](C)C(=O)N[C@H](C[NH+](C)C)C(C)C CC(C)[*:1] C[NH2+]C[C@H](C)C(=O)N[C@H](C[NH+](C)C)[*:1]
C[NH2+]C[C@H](C)C(=O)N[C@H](C[NH+](C)C)C(C)C C[NH2+]C[C@H](C)[*:1] CC(C)[C@@H](C[NH+](C)C)NC(=O)[*:1]
C[NH2+]C[C@H](C)C(=O)N[C@H](C[NH+](C)C)C(C)C C[NH+](C)C[*:1] C[NH2+]C[C@H](C)C(=O)N[C@H](C(C)C)[*:1]
O=[N+]([O-])c1ccc(C[NH+](CCO)Cc2cccnc2)o1 O=[N+]([O-])[*:1] OCC[NH+](Cc1cccnc1)Cc1ccc(o1)[*:1]
O=[N+]([O-])c1ccc(C[NH+](CCO)Cc2cccnc2)o1 c1cncc(c1)[*:1] O=[N+]([O-])c1ccc(C[NH+](CCO)C[*:1])o1
O=[N+]([O-])c1ccc(C[NH+](CCO)Cc2cccnc2)o1 OCC[*:1] O=[N+]([O-])c1ccc(C[NH+](Cc2cccnc2)[*:1])o1
O=C(NCC(O)(c1cccs1)c1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 c1csc(c1)[*:1] O=C(NCC(O)(c1cccs1)[*:1])C(=O)Nc1ccc(F)c(Cl)c1
O=C(NCC(O)(c1cccs1)c1cccs1)C(=O)Nc1ccc(F)c(Cl)c1 Fc1ccc(cc1Cl)[*:1] O=C(NCC(O)(c1cccs1)c1cccs1)C(=O)N[*:1]
N#Cc1ccc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)cc1 N#Cc1ccc(cc1)[*:1] O=C(CSc1nnc2[nH]c3ccccc3n12)N[*:1]
O=C(CCc1ccco1)NC1CC[NH+](Cc2ccccc2)CC1 c1coc(c1)[*:1] O=C(CC[*:1])NC1CC[NH+](CC1)Cc1ccccc1
O=C(CCc1ccco1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] O=C(CCc1ccco1)NC1CC[NH+](CC1)[*:1]
O=C(CCc1ccco1)NC1CC[NH+](Cc2ccccc2)CC1 c1coc(c1)C[*:1] O=C(C[*:1])NC1CC[NH+](CC1)Cc1ccccc1
O=C(CCc1ccco1)NC1CC[NH+](Cc2ccccc2)CC1 c1coc(c1)CC[*:1] O=C(NC1CC[NH+](CC1)Cc1ccccc1)[*:1]
O=C(CCc1ccco1)NC1CC[NH+](Cc2ccccc2)CC1 c1ccc(cc1)[*:1] O=C(CCc1ccco1)NC1CC[NH+](CC1)C[*:1]
CC[C@H](C)[C@@H](NC(=O)c1c[nH]c2ccc(F)cc12)C(N)=O NC(=O)[*:1] CC[C@H](C)[C@@H](NC(=O)c1c[nH]c2ccc(F)cc12)[*:1]
CC[C@H](C)[C@@H](NC(=O)c1c[nH]c2ccc(F)cc12)C(N)=O CC[C@H](C)[*:1] NC(=O)[C@H](NC(=O)c1c[nH]c2ccc(F)cc12)[*:1]
CCc1ccc([C@H]2CCCCCN2C(=O)NCC[S@](C)=O)o1 C[S@](=O)C[*:1] CCc1ccc(o1)[C@H]1CCCCCN1C(=O)NC[*:1]
CCc1ccc([C@H]2CCCCCN2C(=O)NCC[S@](C)=O)o1 CCc1ccc(o1)[*:1] C[S@](=O)CCNC(=O)N1CCCCC[C@@H]1[*:1]
CCc1ccc([C@H]2CCCCCN2C(=O)NCC[S@](C)=O)o1 C[S@](=O)[*:1] CCc1ccc(o1)[C@H]1CCCCCN1C(=O)NCC[*:1]
CCC1(CC)CCN(C(=O)c2ccc([N+](=O)[O-])c(N)c2)C1 O=[N+]([O-])[*:1] CCC1(CC)CCN(C1)C(=O)c1ccc(c(N)c1)[*:1]
CN(CC(=O)Nc1ccccc1Br)C(=O)Cn1c(=O)cnc2ccccc21 Brc1ccccc1[*:1] CN(CC(=O)N[*:1])C(=O)Cn1c(=O)cnc2ccccc21
CN[C@@]1(C(=O)OC)CCC[C@H]1CCOc1cccc(F)c1 COC(=O)[*:1] CN[C@]1(CCC[C@H]1CCOc1cccc(F)c1)[*:1]
CN[C@@]1(C(=O)OC)CCC[C@H]1CCOc1cccc(F)c1 Fc1cccc(c1)[*:1] CN[C@]1(CCC[C@H]1CCO[*:1])C(=O)OC
Cn1ncnc1CCNC(=O)N[C@@H](Cc1ccccc1)C1CC1 C1CC1[*:1] Cn1ncnc1CCNC(=O)N[C@@H](Cc1ccccc1)[*:1]
Cn1ncnc1CCNC(=O)N[C@@H](Cc1ccccc1)C1CC1 Cn1ncnc1C[*:1] O=C(NC[*:1])N[C@@H](Cc1ccccc1)C1CC1
Cn1ncnc1CCNC(=O)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)[*:1] Cn1ncnc1CCNC(=O)N[C@@H](C[*:1])C1CC1
Cn1ncnc1CCNC(=O)N[C@@H](Cc1ccccc1)C1CC1 c1ccc(cc1)C[*:1] Cn1ncnc1CCNC(=O)N[C@@H](C1CC1)[*:1]
Cn1ncnc1CCNC(=O)N[C@@H](Cc1ccccc1)C1CC1 Cn1ncnc1[*:1] O=C(NCC[*:1])N[C@@H](Cc1ccccc1)C1CC1
Cc1ccc(N2CC[C@H](C(=O)N3CCOC[C@@H]3CCO)C2=O)cc1C OCC[*:1] Cc1ccc(cc1C)N1CC[C@@H](C1=O)C(=O)N1CCOC[C@H]1[*:1]
Cc1ccc(N2CC[C@H](C(=O)N3CCOC[C@@H]3CCO)C2=O)cc1C Cc1ccc(cc1C)[*:1] O=C([C@H]1CCN(C1=O)[*:1])N1CCOC[C@@H]1CCO
Cc1ccccc1[C@@H](Cc1ncnn1C(C)C)C(=O)[O-] O=C([O-])[*:1] Cc1ccccc1[C@@H](Cc1ncnn1C(C)C)[*:1]
Cc1ccccc1[C@@H](Cc1ncnn1C(C)C)C(=O)[O-] CC(C)[*:1] Cc1ccccc1[C@@H](Cc1ncnn1[*:1])C(=O)[O-]
Cc1ccc(C)c(NC(=O)CN2CCN(C(=O)NC3CCCCC3)CC2)c1 Cc1ccc(C)c(c1)[*:1] O=C(CN1CCN(CC1)C(=O)NC1CCCCC1)N[*:1]
Cc1ccc(C)c(NC(=O)CN2CCN(C(=O)NC3CCCCC3)CC2)c1 C1CCC(CC1)[*:1] Cc1ccc(C)c(c1)NC(=O)CN1CCN(CC1)C(=O)N[*:1]
CN(C)c1nc(CN/C=C2/C(=O)NC(=O)c3ccccc32)cs1 CN(C)[*:1] O=C1NC(=O)c2ccccc2/C1=C\NCc1csc(n1)[*:1]
CCc1n[nH]c2cc(CCC(=O)[O-])ccc12 O=C([O-])C[*:1] CCc1n[nH]c2cc(ccc12)C[*:1]
CCc1n[nH]c2cc(CCC(=O)[O-])ccc12 O=C([O-])CC[*:1] CCc1n[nH]c2cc(ccc12)[*:1]
CCc1n[nH]c2cc(CCC(=O)[O-])ccc12 O=C([O-])[*:1] CCc1n[nH]c2cc(ccc12)CC[*:1]
Cn1cc(C#N)cc1C(=O)NCCNC(=O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] Cn1cc(C#N)cc1C(=O)NCCNC(=O)[*:1]
CC(C)([C@H](O)Cc1ccc(Br)s1)[NH+]1CCCCCC1 Brc1ccc(s1)[*:1] CC(C)([C@H](O)C[*:1])[NH+]1CCCCCC1
Cn1c(N2CC[NH+](C)CC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C c1ccc(cc1)[*:1] Cn1c(nc2c1c(=O)n(C[*:1])c(=O)n2C)N1CC[NH+](C)CC1
Cn1c(N2CC[NH+](C)CC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C c1ccc(cc1)C[*:1] Cn1c(nc2c1c(=O)n(c(=O)n2C)[*:1])N1CC[NH+](C)CC1
Cc1nc(CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cs1 Cc1nc(cs1)[*:1] O=c1c2c3CCCCc3sc2nc(SC[*:1])n1C[C@@H]1CCCO1
Cc1nc(CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cs1 Cc1nc(cs1)CS[*:1] O=c1c2c3CCCCc3sc2nc(n1C[C@@H]1CCCO1)[*:1]
Cc1nc(CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cs1 C1CO[C@@H](C1)C[*:1] Cc1nc(cs1)CSc1nc2sc3CCCCc3c2c(=O)n1[*:1]
Cc1nc(CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cs1 Cc1nc(cs1)C[*:1] O=c1c2c3CCCCc3sc2nc(S[*:1])n1C[C@@H]1CCCO1
CCOc1ncccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 CCO[*:1] O=C(Nc1cccnc1[*:1])N1CC[C@@H](C1)[NH+]1CCCC1
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 O=C(OC1CCCC1)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1[*:1])c1ccccc1[N+](=O)[O-]
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 C1CCC(C1)[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)O[*:1])c1ccccc1[N+](=O)[O-]
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 O=[N+]([O-])[*:1] CC1NC2CCCC(=O)C=2[C@H](C=1C(=O)OC1CCCC1)c1ccccc1[*:1]
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 O=[N+]([O-])c1ccccc1[*:1] CC1NC2CCCC(=O)C=2[C@@H](C=1C(=O)OC1CCCC1)[*:1]
Cn1cc(CCC(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cn1 FC(F)(F)[*:1] Cn1cc(cn1)CCC(=O)[C@@H](C#N)c1ccc(cn1)[*:1]
Cn1cc(CCC(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cn1 Cn1cc(cn1)C[*:1] N#C[C@H](C(=O)C[*:1])c1ccc(cn1)C(F)(F)F
Cn1cc(CCC(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cn1 Cn1cc(cn1)[*:1] N#C[C@H](C(=O)CC[*:1])c1ccc(cn1)C(F)(F)F
C[C@@H](NC(=O)NCCc1nnc2n1CCC2)[C@@H]1COc2ccccc21 C1Cc2nnc(n2C1)[*:1] C[C@@H](NC(=O)NCC[*:1])[C@@H]1COc2ccccc21
C#CCN(CC#C)Cc1ccc(C#N)cc1F C#CC[*:1] C#CCN(Cc1ccc(C#N)cc1F)[*:1]
CCN1CC(=O)Nc2cc(C(=O)Nc3nnc(CC(C)C)s3)ccc21 CC(C)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)Nc1nnc(C[*:1])s1
CCN1CC(=O)Nc2cc(C(=O)Nc3nnc(CC(C)C)s3)ccc21 CC(C)C[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)Nc1nnc(s1)[*:1]
Cc1cccc(-n2ccnc2SCC(=O)N(CC#N)CC#N)c1C N#CC[*:1] Cc1cccc(c1C)-n1ccnc1SCC(=O)N(CC#N)[*:1]
Cc1cccc(-n2ccnc2SCC(=O)N(CC#N)CC#N)c1C Cc1cccc(c1C)[*:1] N#CCN(CC#N)C(=O)CSc1nccn1[*:1]
C[C@H]1CCC[C@@H](NC(=O)CN2CCN(Cn3ccc(C(F)(F)F)n3)CC2)C1 FC(F)(F)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)CN1CCN(CC1)Cn1ccc(n1)[*:1]
C[C@H]1CCC[C@@H](NC(=O)CN2CCN(Cn3ccc(C(F)(F)F)n3)CC2)C1 FC(F)(F)c1ccn(n1)[*:1] C[C@H]1CCC[C@H](C1)NC(=O)CN1CCN(CC1)C[*:1]
Cc1cccc(N2C(=O)C[C@@H](N(O)c3ccccc3)C2=O)c1C c1ccc(cc1)[*:1] Cc1cccc(c1C)N1C(=O)C[C@H](C1=O)N(O)[*:1]
CCN(CC)C(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O CCN(CC)C(=O)C[*:1] Cc1nc(-c2ccc(F)cc2)n(c(=O)c1CCO)[*:1]
CCN(CC)C(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O CCN(CC)C(=O)[*:1] Cc1nc(-c2ccc(F)cc2)n(C[*:1])c(=O)c1CCO
CCN(CC)C(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O OCC[*:1] CCN(CC)C(=O)Cn1c(nc(C)c(c1=O)[*:1])-c1ccc(F)cc1
CCN(CC)C(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O Fc1ccc(cc1)[*:1] CCN(CC)C(=O)Cn1c(nc(C)c(CCO)c1=O)[*:1]
CC1(C)CCCC[C@@H]1Nc1cccc(-n2cnnc2)c1 c1nncn1[*:1] CC1(C)CCCC[C@@H]1Nc1cccc(c1)[*:1]
CCSc1ccccc1C(=O)Nc1cccc(C(N)=O)c1 CCS[*:1] NC(=O)c1cccc(c1)NC(=O)c1ccccc1[*:1]
CCSc1ccccc1C(=O)Nc1cccc(C(N)=O)c1 NC(=O)[*:1] CCSc1ccccc1C(=O)Nc1cccc(c1)[*:1]
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccccc1 CCOC(=O)[*:1] CC1N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H](C=1[*:1])c1ccccc1
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1[*:1]
COCCOC(=O)/C(C#N)=C\c1cccc(C)c1 COCC[*:1] Cc1cccc(/C=C(/C#N)C(=O)O[*:1])c1
COCCOC(=O)/C(C#N)=C\c1cccc(C)c1 COC[*:1] Cc1cccc(/C=C(/C#N)C(=O)OC[*:1])c1
CC[C@@H](C)C(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 CC[C@@H](C)C(=O)N[*:1] c1ccn2cc(Cn3cc(cn3)[*:1])nc2c1
CC[C@@H](C)C(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 CC[C@@H](C)[*:1] O=C(Nc1cnn(c1)Cc1cn2ccccc2n1)[*:1]
C[C@H]1CC[C@@H](C)CN1C(=O)c1ccn(-c2ccc(F)cc2)n1 Fc1ccc(cc1)[*:1] C[C@H]1CC[C@@H](C)CN1C(=O)c1ccn(n1)[*:1]
CS(=O)(=O)c1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1 CS(=O)(=O)[*:1] O=C(Nc1ccc(cc1)[*:1])C1(CC1)c1cccc(c1)C(F)(F)F
CS(=O)(=O)c1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1 FC(F)(F)[*:1] CS(=O)(=O)c1ccc(cc1)NC(=O)C1(CC1)c1cccc(c1)[*:1]
CC(C)(C)[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)[*:1]
CC(C)(C)[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 O=S1(=O)CC[C@H](C1)C[*:1] CC(C)(C)[C@H](NC(=O)N[*:1])c1ccc(F)cc1
CC(C)(C)[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 O=S1(=O)CC[C@H](C1)[*:1] CC(C)(C)[C@H](NC(=O)NC[*:1])c1ccc(F)cc1
CC(C)(C)[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 CC(C)(C)[*:1] O=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H](c1ccc(F)cc1)[*:1]
O=C(N[C@@H]1CCc2[nH]ncc2C1)c1ncccc1C(F)(F)F FC(F)(F)[*:1] O=C(N[C@@H]1CCc2[nH]ncc2C1)c1ncccc1[*:1]
CCOc1cc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)ccc1OC CCO[*:1] COc1ccc(cc1[*:1])CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1
CC(C)[C@H](NC(=O)Cc1ccsc1)C(=O)N1CCc2ncccc2C1 c1cc(cs1)[*:1] CC(C)[C@H](NC(=O)C[*:1])C(=O)N1CCc2ncccc2C1
CC(C)[C@H](NC(=O)Cc1ccsc1)C(=O)N1CCc2ncccc2C1 c1cc(cs1)C[*:1] CC(C)[C@H](NC(=O)[*:1])C(=O)N1CCc2ncccc2C1
CC(C)[C@H](NC(=O)Cc1ccsc1)C(=O)N1CCc2ncccc2C1 CC(C)[*:1] O=C(Cc1ccsc1)N[C@H](C(=O)N1CCc2ncccc2C1)[*:1]
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)NC(=O)CO2 Fc1cccc(c1)C[*:1] C[NH+](C)CCN(C(=O)c1ccc2OCC(=O)Nc2c1)[*:1]
C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)NC(=O)CO2 Fc1cccc(c1)[*:1] C[NH+](C)CCN(C[*:1])C(=O)c1ccc2OCC(=O)Nc2c1
Cc1nc([C@@H](NC(=O)[C@@H](C)CCc2ccccc2F)c2ccccc2)n[nH]1 Fc1ccccc1CC[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)[C@@H](C)[*:1])c1ccccc1
Cc1nc([C@@H](NC(=O)[C@@H](C)CCc2ccccc2F)c2ccccc2)n[nH]1 c1ccc(cc1)[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)[C@@H](C)CCc1ccccc1F)[*:1]
Cc1nc([C@@H](NC(=O)[C@@H](C)CCc2ccccc2F)c2ccccc2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@@H](CCc1ccccc1F)C(=O)N[C@@H](c1ccccc1)[*:1]
Cc1nc([C@@H](NC(=O)[C@@H](C)CCc2ccccc2F)c2ccccc2)n[nH]1 Fc1ccccc1[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)[C@@H](C)CC[*:1])c1ccccc1
Cc1nc([C@@H](NC(=O)[C@@H](C)CCc2ccccc2F)c2ccccc2)n[nH]1 Fc1ccccc1C[*:1] Cc1nc(n[nH]1)[C@@H](NC(=O)[C@@H](C)C[*:1])c1ccccc1
CN1CCO[C@H](c2noc([C@](C)([NH3+])C3CC3)n2)C1 C1CC1[*:1] CN1CCO[C@@H](C1)c1noc(n1)[C@](C)([NH3+])[*:1]
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 COC(=O)[*:1] CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Cl)c(c1)[*:1]
CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 CC[C@H](C)[*:1] COC(=O)c1cc(ccc1Cl)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[*:1]
C[C@@H](NC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)C(C)(C)C[NH+](C)C C1CCC(CC1)[*:1] C[C@@H](NC(=O)N1CCC(CC1)NC(=O)[*:1])C(C)(C)C[NH+](C)C
C[C@@H](NC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)C(C)(C)C[NH+](C)C O=C(N[*:1])C1CCCCC1 C[C@@H](NC(=O)N1CCC(CC1)[*:1])C(C)(C)C[NH+](C)C
Cc1nc(C)c(C(=O)N2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)o1 Cc1nc(C)c(o1)[*:1] O=C(N1CCCC1)N1CC[C@]2(O)CCN(C[C@@H]2C1)C(=O)[*:1]
O=C([C@@H]1C=C(c2ccc3c(c2)OCO3)N=N1)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)[*:1] O=C([C@@H]1C=C(N=N1)c1ccc2OCOc2c1)N1N=C(C[C@@]1(O)C(F)F)[*:1]
O=C([C@@H]1C=C(c2ccc3c(c2)OCO3)N=N1)N1N=C(C(F)F)C[C@@]1(O)C(F)F FC(F)[*:1] O=C([C@@H]1C=C(N=N1)c1ccc2OCOc2c1)N1N=C(C[C@]1(O)[*:1])C(F)F
O=C([C@@H]1C=C(c2ccc3c(c2)OCO3)N=N1)N1N=C(C(F)F)C[C@@]1(O)C(F)F c1cc2OCOc2cc1[*:1] O=C([C@@H]1C=C(N=N1)[*:1])N1N=C(C[C@@]1(O)C(F)F)C(F)F
C=CCC[C@H](C)OC(=O)/C=C/c1ccco1 C=CCC[*:1] C[C@H](OC(=O)/C=C/c1ccco1)[*:1]
C=CCC[C@H](C)OC(=O)/C=C/c1ccco1 c1coc(c1)[*:1] C=CCC[C@H](C)OC(=O)C=C[*:1]
C=CCC[C@H](C)OC(=O)/C=C/c1ccco1 C=CC[*:1] C[C@@H](C[*:1])OC(=O)/C=C/c1ccco1
CC(C)(C(N)=O)S(=O)(=O)c1ccc(Br)cc1 NC(=O)[*:1] CC(C)(S(=O)(=O)c1ccc(Br)cc1)[*:1]
O=C(COCC(F)(F)F)N1C[C@H]2CCC[C@@H]2C1 FC(F)(F)C[*:1] O=C(CO[*:1])N1C[C@H]2CCC[C@@H]2C1
O=C(COCC(F)(F)F)N1C[C@H]2CCC[C@@H]2C1 FC(F)(F)[*:1] O=C(COC[*:1])N1C[C@H]2CCC[C@@H]2C1
C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCO[C@H](c2ccccc2)C1 c1ccc(cc1)[*:1] C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCO[C@H](C1)[*:1]
C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCO[C@H](c2ccccc2)C1 FC(F)(F)C[*:1] C[C@@H](C(=O)NC(=O)N[*:1])N1CCO[C@@H](C1)c1ccccc1
C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCO[C@H](c2ccccc2)C1 FC(F)(F)[*:1] C[C@@H](C(=O)NC(=O)NC[*:1])N1CCO[C@@H](C1)c1ccccc1
COC(=O)N1CCC[C@H](C(=O)N(CC2CC2)c2ccccc2)C1 c1ccc(cc1)[*:1] COC(=O)N1CCC[C@@H](C1)C(=O)N(CC1CC1)[*:1]
COC(=O)N1CCC[C@H](C(=O)N(CC2CC2)c2ccccc2)C1 C1CC1C[*:1] COC(=O)N1CCC[C@@H](C1)C(=O)N(c1ccccc1)[*:1]
COC(=O)N1CCC[C@H](C(=O)N(CC2CC2)c2ccccc2)C1 C1CC1[*:1] COC(=O)N1CCC[C@@H](C1)C(=O)N(C[*:1])c1ccccc1
CC(C)(C)c1csc(C[C@](C)(O)Cc2ccccc2)n1 CC(C)(C)[*:1] C[C@@](O)(Cc1ccccc1)Cc1nc(cs1)[*:1]
CC(C)(C)c1csc(C[C@](C)(O)Cc2ccccc2)n1 c1ccc(cc1)[*:1] CC(C)(C)c1csc(C[C@](C)(O)C[*:1])n1
Cc1nn(C)c2ncc(S(=O)(=O)NCc3nc(-c4cccnc4)no3)cc12 c1cncc(c1)[*:1] Cc1nn(C)c2ncc(cc12)S(=O)(=O)NCc1nc(no1)[*:1]
O=C(Nc1cnn(-c2ccccc2)c1)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)-c1ccccc1)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)[*:1]
O=C(Nc1cnn(-c2ccccc2)c1)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(Nc1cnn(c1)[*:1])[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1
Cc1ccc(N2C[C@H](C(=O)N3CCC(Oc4nc5c(Cl)cccc5s4)CC3)CC2=O)cc1C Cc1ccc(cc1C)[*:1] O=C([C@@H]1CC(=O)N(C1)[*:1])N1CCC(CC1)Oc1nc2c(Cl)cccc2s1
Cc1ccc(N2C[C@H](C(=O)N3CCC(Oc4nc5c(Cl)cccc5s4)CC3)CC2=O)cc1C Clc1cccc2sc(nc12)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)O[*:1]
Cc1ccc(N2C[C@H](C(=O)N3CCC(Oc4nc5c(Cl)cccc5s4)CC3)CC2=O)cc1C Clc1cccc2sc(nc12)O[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O c1cc2OCOc2cc1C[*:1] O=C(N[*:1])c1ccc([nH]c1=O)-c1ccc2ccccc2c1
O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1ccc([nH]c1=O)-c1ccc2ccccc2c1
O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O c1ccc2cc(ccc2c1)[*:1] O=C(NCc1ccc2OCOc2c1)c1ccc([nH]c1=O)[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc1Cl Cc1ccc(cc1Cl)[*:1] O=C(N[*:1])[C@@H]1CCCN1c1ncnc2ccccc12
CCn1c(N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc(=O)n(C)c1=O CC(C)[*:1] CCn1c(cc(=O)n(C)c1=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
CCn1c(N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc(=O)n(C)c1=O CC(C)c1ccc(cc1)[*:1] CCn1c(cc(=O)n(C)c1=O)N1CCC(CC1)C(=O)N[*:1]
Cc1cccc(C(C)C)c1NC(=O)c1ccc2c([O-])n(C)c(=S)nc2c1 CC(C)[*:1] Cc1cccc(c1NC(=O)c1ccc2c([O-])n(C)c(=S)nc2c1)[*:1]
COc1ccccc1N1C(=O)c2ccc(-c3nc4cc([N+](=O)[O-])ccc4o3)cc2C1=O COc1ccccc1[*:1] O=C1c2ccc(cc2C(=O)N1[*:1])-c1nc2cc(ccc2o1)[N+](=O)[O-]
COc1ccccc1N1C(=O)c2ccc(-c3nc4cc([N+](=O)[O-])ccc4o3)cc2C1=O O=[N+]([O-])[*:1] COc1ccccc1N1C(=O)c2ccc(cc2C1=O)-c1nc2cc(ccc2o1)[*:1]
Nc1ccc(-c2nnc(SC[C@H]3CO3)o2)cc1 C1O[C@H]1[*:1] Nc1ccc(cc1)-c1nnc(o1)SC[*:1]
Nc1ccc(-c2nnc(SC[C@H]3CO3)o2)cc1 C1O[C@H]1C[*:1] Nc1ccc(cc1)-c1nnc(o1)S[*:1]
Nc1ccc(-c2nnc(SC[C@H]3CO3)o2)cc1 C1O[C@H]1CS[*:1] Nc1ccc(cc1)-c1nnc(o1)[*:1]
COc1ccc(/C=N/NC(=O)c2nonc2C)cc1OC Cc1nonc1[*:1] COc1ccc(/C=N/NC(=O)[*:1])cc1OC
Cc1ccsc1/C=N/NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 c1ccc(cc1)[*:1] Cc1ccsc1/C=N/NC(=O)CN(c1ccccc1F)S(=O)(=O)[*:1]
Cc1ccsc1/C=N/NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 Fc1ccccc1[*:1] Cc1ccsc1/C=N/NC(=O)CN(S(=O)(=O)c1ccccc1)[*:1]
Cc1ccsc1/C=N/NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 Cc1ccsc1[*:1] O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NN=C[*:1]
C/[NH+]=C(/NCC1(c2ccc(F)cc2)CCOCC1)N[C@H]1C[C@@H]1C Fc1ccc(cc1)[*:1] C/[NH+]=C(/NCC1(CCOCC1)[*:1])N[C@H]1C[C@@H]1C
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@@H](C)OC[C@H]2C)n1 Cc1cc(F)ccc1[*:1] C[C@@H]1CN(C(=O)c2nn(cc2[O-])[*:1])[C@H](C)CO1
O=C(CNC(=O)c1ccc(F)cc1O)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(NCC(=O)[*:1])c1ccc(F)cc1O
O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(-n2cnnn2)cc1 c1nnnn1[*:1] O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(cc1)[*:1]
O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(-n2cnnn2)cc1 c1ccc(cc1)[*:1] O=C(O[C@H](C(=O)[*:1])c1ccccc1)c1ccc(cc1)-n1cnnn1
O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(-n2cnnn2)cc1 O=C(c1ccccc1)[*:1] O=C(O[C@H](c1ccccc1)[*:1])c1ccc(cc1)-n1cnnn1
O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(-n2cnnn2)cc1 c1ccc(cc1)[*:1] O=C(O[C@H](C(=O)c1ccccc1)[*:1])c1ccc(cc1)-n1cnnn1
O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@H]2C1 c1ccc(cc1)[*:1] O=c1n(c(=O)n2[C@H]3C=C[C@H](C3)n12)[*:1]
COc1ccc2ccn(CC(=O)NCc3ccccc3F)c(=O)c2c1 Fc1ccccc1C[*:1] COc1ccc2ccn(CC(=O)N[*:1])c(=O)c2c1
COc1ccc2ccn(CC(=O)NCc3ccccc3F)c(=O)c2c1 Fc1ccccc1[*:1] COc1ccc2ccn(CC(=O)NC[*:1])c(=O)c2c1
Cc1cc(C)n(C[C@@H](C)CNC(=O)NCc2csc(C)n2)n1 Cc1nc(cs1)[*:1] Cc1cc(C)n(C[C@@H](C)CNC(=O)NC[*:1])n1
Cc1cc(C)n(C[C@@H](C)CNC(=O)NCc2csc(C)n2)n1 Cc1nc(cs1)C[*:1] Cc1cc(C)n(C[C@@H](C)CNC(=O)N[*:1])n1
Cc1cc(C)n(C[C@@H](C)CNC(=O)NCc2csc(C)n2)n1 Cc1cc(C)n(n1)[*:1] Cc1nc(cs1)CNC(=O)NC[C@H](C)C[*:1]
COc1ccc(CN(C)C(=O)c2sc(C)nc2-c2ccccc2)cc1F c1ccc(cc1)[*:1] COc1ccc(cc1F)CN(C)C(=O)c1sc(C)nc1[*:1]
CCc1ccc([C@@H](CNC(=O)[C@H](C)n2cncn2)[NH+](C)C)cc1 C[C@H](n1cncn1)[*:1] CCc1ccc(cc1)[C@@H](CNC(=O)[*:1])[NH+](C)C
CCc1ccc([C@@H](CNC(=O)[C@H](C)n2cncn2)[NH+](C)C)cc1 c1ncn(n1)[*:1] CCc1ccc(cc1)[C@@H](CNC(=O)[C@H](C)[*:1])[NH+](C)C
CCN(Cc1cccc(NC(=O)N2CCc3ccc(OC)cc3C2)c1)C(C)=O CCN(C[*:1])C(C)=O COc1ccc2CCN(Cc2c1)C(=O)Nc1cccc(c1)[*:1]
CCN(Cc1cccc(NC(=O)N2CCc3ccc(OC)cc3C2)c1)C(C)=O CCN(C(C)=O)[*:1] COc1ccc2CCN(Cc2c1)C(=O)Nc1cccc(c1)C[*:1]
CC[C@@H](C)CN(CC)c1[nH+]c(C)cc(C)c1C(N)=S NC(=S)[*:1] CC[C@@H](C)CN(CC)c1[nH+]c(C)cc(C)c1[*:1]
CC[C@@H](C)CN(CC)c1[nH+]c(C)cc(C)c1C(N)=S CC[C@@H](C)C[*:1] CCN(c1[nH+]c(C)cc(C)c1C(N)=S)[*:1]
CC[C@@H](C)CN(CC)c1[nH+]c(C)cc(C)c1C(N)=S CC[C@@H](C)[*:1] CCN(C[*:1])c1[nH+]c(C)cc(C)c1C(N)=S
CCC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 CCC[*:1] Cc1ccc(s1)S(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](CC1)[*:1]
CCC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 Cc1ccc(s1)[*:1] CCC[C@@H]1CCCN(CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)[*:1]
O=C(NCC(=O)N1CCCC1)N[C@H](Cn1cncn1)c1ccccc1 c1ncn(n1)[*:1] O=C(NCC(=O)N1CCCC1)N[C@H](C[*:1])c1ccccc1
O=C(NCC(=O)N1CCCC1)N[C@H](Cn1cncn1)c1ccccc1 O=C(N1CCCC1)[*:1] O=C(NC[*:1])N[C@H](Cn1cncn1)c1ccccc1
O=C(NCC(=O)N1CCCC1)N[C@H](Cn1cncn1)c1ccccc1 c1ncn(C[*:1])n1 O=C(NCC(=O)N1CCCC1)N[C@H](c1ccccc1)[*:1]
O=C(NCC(=O)N1CCCC1)N[C@H](Cn1cncn1)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC(=O)N1CCCC1)N[C@H](Cn1cncn1)[*:1]
O=C(NCC(=O)N1CCCC1)N[C@H](Cn1cncn1)c1ccccc1 O=C(C[*:1])N1CCCC1 O=C(N[C@H](Cn1cncn1)c1ccccc1)N[*:1]
CCc1nn(C)cc1CNC(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)CO[*:1] CCc1nn(C)cc1CNC(=O)Nc1ccc(cc1)[*:1]
CCc1nn(C)cc1CNC(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)C[*:1] CCc1nn(C)cc1CNC(=O)Nc1ccc(cc1)O[*:1]
CCc1nn(C)cc1CNC(=O)Nc1ccc(OCC(F)(F)F)cc1 FC(F)(F)[*:1] CCc1nn(C)cc1CNC(=O)Nc1ccc(cc1)OC[*:1]
CCc1nn(C)cc1CNC(=O)Nc1ccc(OCC(F)(F)F)cc1 CCc1nn(C)cc1[*:1] O=C(NC[*:1])Nc1ccc(cc1)OCC(F)(F)F
CC(C)(CNC(=O)COc1ccc(C(F)(F)F)cc1)c1ccncc1 FC(F)(F)[*:1] CC(C)(CNC(=O)COc1ccc(cc1)[*:1])c1ccncc1
CC(C)(CNC(=O)COc1ccc(C(F)(F)F)cc1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)COc1ccc(cc1)C(F)(F)F)[*:1]
Cc1ccc(CN2C[C@]3(CCOC3)CCC2=O)o1 Cc1ccc(o1)[*:1] O=C1CC[C@@]2(CCOC2)CN1C[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)c1cn(Cc2cccs2)nn1 c1csc(c1)[*:1] CCN(Cc1cccc(Cl)c1)C(=O)c1cn(C[*:1])nn1
CCN(Cc1cccc(Cl)c1)C(=O)c1cn(Cc2cccs2)nn1 c1csc(c1)C[*:1] CCN(Cc1cccc(Cl)c1)C(=O)c1cn(nn1)[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)c1cn(Cc2cccs2)nn1 Clc1cccc(c1)[*:1] CCN(C[*:1])C(=O)c1cn(Cc2cccs2)nn1
CCN(Cc1cccc(Cl)c1)C(=O)c1cn(Cc2cccs2)nn1 Clc1cccc(c1)C[*:1] CCN(C(=O)c1cn(Cc2cccs2)nn1)[*:1]
Cc1ccccc1Nc1nc(-c2cccnc2)cs1 c1cncc(c1)[*:1] Cc1ccccc1Nc1nc(cs1)[*:1]
Cn1cc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cn1 C1CCC(CC1)[*:1] Cn1cc(cn1)C(=O)NC1CCN(CC1)C(=O)N[*:1]
Cn1cc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cn1 Cn1cc(cn1)[*:1] O=C(NC1CCCCC1)N1CCC(CC1)NC(=O)[*:1]
CC[C@@H](CCCl)CNS(=O)(=O)c1sccc1Br ClCC[*:1] CC[C@@H](CNS(=O)(=O)c1sccc1Br)[*:1]
C#CCn1/c(=N/C(=O)c2snnc2C)sc2cc(S(N)(=O)=O)ccc21 NS(=O)(=O)[*:1] C#CCn1/c(=N/C(=O)c2snnc2C)sc2cc(ccc21)[*:1]
C#CCn1/c(=N/C(=O)c2snnc2C)sc2cc(S(N)(=O)=O)ccc21 C#CC[*:1] Cc1nnsc1C(=O)/N=c1\sc2cc(ccc2n1[*:1])S(N)(=O)=O
C#CCn1/c(=N/C(=O)c2snnc2C)sc2cc(S(N)(=O)=O)ccc21 Cc1nnsc1[*:1] C#CCn1/c(=N/C(=O)[*:1])sc2cc(ccc21)S(N)(=O)=O
Cc1ccc(-c2ccc(CN(Cc3nnc(C)o3)C(C)(C)C)o2)cc1 Cc1nnc(C[*:1])o1 Cc1ccc(cc1)-c1ccc(CN(C(C)(C)C)[*:1])o1
Cc1ccc(-c2ccc(CN(Cc3nnc(C)o3)C(C)(C)C)o2)cc1 Cc1ccc(cc1)[*:1] Cc1nnc(CN(Cc2ccc(o2)[*:1])C(C)(C)C)o1
Cc1ccc(-c2ccc(CN(Cc3nnc(C)o3)C(C)(C)C)o2)cc1 CC(C)(C)[*:1] Cc1ccc(cc1)-c1ccc(CN(Cc2nnc(C)o2)[*:1])o1
Cc1ccc(-c2ccc(CN(Cc3nnc(C)o3)C(C)(C)C)o2)cc1 Cc1nnc(o1)[*:1] Cc1ccc(cc1)-c1ccc(CN(C[*:1])C(C)(C)C)o1
CC(=O)/C(=C\c1ccccc1Br)C(=O)c1ccccc1 CC(=O)[*:1] O=C(/C(=C/c1ccccc1Br)[*:1])c1ccccc1
CC(=O)/C(=C\c1ccccc1Br)C(=O)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)/C(=C\c1ccccc1Br)C(=O)[*:1]
Cc1cc([N+](=O)[O-])cnc1N1CCC(c2nncn2C2CC2)CC1 C1CC1[*:1] Cc1cc(cnc1N1CCC(CC1)c1nncn1[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1N1CCC(c2nncn2C2CC2)CC1 c1nnc(n1C1CC1)[*:1] Cc1cc(cnc1N1CCC(CC1)[*:1])[N+](=O)[O-]
Cc1cc([N+](=O)[O-])cnc1N1CCC(c2nncn2C2CC2)CC1 O=[N+]([O-])[*:1] Cc1cc(cnc1N1CCC(CC1)c1nncn1C1CC1)[*:1]
C[C@@H]1Sc2ccc(Cl)cc2C(=O)/C1=C\N(C)C CN(C)[*:1] C[C@@H]1Sc2ccc(Cl)cc2C(=O)C1=C[*:1]
O=C(CN(C[C@@H]1CCCO1)C(=O)Cc1ccc(Cl)nc1)N1CCCC1 O=C(C[*:1])N1CCCC1 O=C(Cc1ccc(Cl)nc1)N(C[C@@H]1CCCO1)[*:1]
O=C(CN(C[C@@H]1CCCO1)C(=O)Cc1ccc(Cl)nc1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(Cc1ccc(Cl)nc1)N(C[C@@H]1CCCO1)C[*:1]
O=C(CN(C[C@@H]1CCCO1)C(=O)Cc1ccc(Cl)nc1)N1CCCC1 Clc1ccc(cn1)C[*:1] O=C(CN(C[C@@H]1CCCO1)C(=O)[*:1])N1CCCC1
O=C(CN(C[C@@H]1CCCO1)C(=O)Cc1ccc(Cl)nc1)N1CCCC1 Clc1ccc(cn1)[*:1] O=C(CN(C[C@@H]1CCCO1)C(=O)C[*:1])N1CCCC1
O=C(CN(C[C@@H]1CCCO1)C(=O)Cc1ccc(Cl)nc1)N1CCCC1 C1CO[C@@H](C1)C[*:1] O=C(CN(C(=O)Cc1ccc(Cl)nc1)[*:1])N1CCCC1
CC(=O)c1ccccc1OCc1ncn(-c2ccccc2)n1 c1ccc(cc1)[*:1] CC(=O)c1ccccc1OCc1ncn(n1)[*:1]
CC(=O)c1ccccc1OCc1ncn(-c2ccccc2)n1 CC(=O)[*:1] c1ccc(cc1)-n1cnc(COc2ccccc2[*:1])n1
Cc1n[nH]c2cc(NC(=O)c3cnns3)ccc12 c1nnsc1[*:1] Cc1n[nH]c2cc(ccc12)NC(=O)[*:1]
COc1ccccc1NC(=O)NNC(=O)Cc1cccc2ccccc12 COc1ccccc1[*:1] O=C(Cc1cccc2ccccc12)NNC(=O)N[*:1]
O=C(Oc1ccc(-n2cnnn2)cc1)[C@H]1SCCc2sccc21 c1nnnn1[*:1] O=C(Oc1ccc(cc1)[*:1])[C@H]1SCCc2sccc21
COc1cc(OC)c(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC c1ccc(cc1)[*:1] COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cc1)[*:1]
CCc1ccccc1N1C(=O)C[C@@H](S[C@@H](C)C(=O)[O-])C1=O O=C([O-])[*:1] CCc1ccccc1N1C(=O)C[C@@H](S[C@@H](C)[*:1])C1=O
CCOC(=O)C1CCN(C(=O)COC(=O)c2n[nH]c3ccccc23)CC1 CCOC(=O)[*:1] O=C(OCC(=O)N1CCC(CC1)[*:1])c1n[nH]c2ccccc12
Cc1cccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)CC2)c1C Cc1cccc(c1C)[*:1] O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCN(CC1)[*:1]
Cc1cccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)CC2)c1C Fc1ccccc1[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)CSc1nnc(n1C1CC1)[*:1]
Cc1cccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)CC2)c1C C1CC1[*:1] Cc1cccc(c1C)N1CCN(CC1)C(=O)CSc1nnc(-c2ccccc2F)n1[*:1]
CCC(=O)Nc1cc(NC(=S)NC(=O)c2ccco2)ccc1C CCC(=O)N[*:1] Cc1ccc(cc1[*:1])NC(=S)NC(=O)c1ccco1
CCC(=O)Nc1cc(NC(=S)NC(=O)c2ccco2)ccc1C c1coc(c1)[*:1] CCC(=O)Nc1cc(ccc1C)NC(=S)NC(=O)[*:1]
C[C@@H](C(=O)NN)[C@@H](C)Sc1nncn1C NNC(=O)[*:1] C[C@@H]([C@@H](C)Sc1nncn1C)[*:1]
CCCNc1ncc(COc2ccc(C)nc2[N+](=O)[O-])s1 O=[N+]([O-])[*:1] CCCNc1ncc(COc2ccc(C)nc2[*:1])s1
CCCNc1ncc(COc2ccc(C)nc2[N+](=O)[O-])s1 CCCN[*:1] Cc1ccc(OCc2cnc(s2)[*:1])c(n1)[N+](=O)[O-]
CCCNc1ncc(COc2ccc(C)nc2[N+](=O)[O-])s1 CCC[*:1] Cc1ccc(OCc2cnc(N[*:1])s2)c(n1)[N+](=O)[O-]
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 c1ccc(cc1)[*:1] CC(C)[C@@H](NC(=O)N[*:1])C(=O)N1C[C@@H](C)O[C@H](C)C1
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 CC(C)[*:1] C[C@@H]1CN(C[C@@H](C)O1)C(=O)[C@H](NC(=O)Nc1ccccc1)[*:1]
O=C(COC(=O)c1ccc(Cl)nc1)Nc1c(Cl)cc(Cl)cc1Cl Clc1ccc(cn1)[*:1] O=C(COC(=O)[*:1])Nc1c(Cl)cc(Cl)cc1Cl
C=CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(O)cc1 Oc1ccc(cc1)[*:1] C=CCn1c(nnc1[*:1])SCC(=O)N1CCc2ccccc21
C=CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(O)cc1 C=CC[*:1] O=C(CSc1nnc(-c2ccc(O)cc2)n1[*:1])N1CCc2ccccc21
N#CC1=C2SC[C@@](O)(c3ccco3)N2C(=O)C[C@@H]1c1ccc(F)cc1 Fc1ccc(cc1)[*:1] N#CC1=C2SC[C@@](O)(c3ccco3)N2C(=O)C[C@H]1[*:1]
N#CC1=C2SC[C@@](O)(c3ccco3)N2C(=O)C[C@@H]1c1ccc(F)cc1 c1coc(c1)[*:1] N#CC1=C2SC[C@@](O)(N2C(=O)C[C@@H]1c1ccc(F)cc1)[*:1]
COc1cc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc(OC)c1OC O=C(N1CCCCCC1)[*:1] COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)[*:1]
C#CCOc1ccccc1C[NH+]1CCC(c2nncn2C)CC1 C#CC[*:1] Cn1cnnc1C1CC[NH+](CC1)Cc1ccccc1O[*:1]
C#CCOc1ccccc1C[NH+]1CCC(c2nncn2C)CC1 Cn1cnnc1[*:1] C#CCOc1ccccc1C[NH+]1CCC(CC1)[*:1]
C#CCOc1ccccc1C[NH+]1CCC(c2nncn2C)CC1 C#CCO[*:1] Cn1cnnc1C1CC[NH+](CC1)Cc1ccccc1[*:1]
CCNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CC(C)C CC(C)[*:1] CCNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C[*:1]
CCNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CC(C)C CCNC(=O)NC(=O)[*:1] CC(C)Cn1c(nc2cc(Cl)ccc2c1=O)S[C@H](C)[*:1]
CCNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1CC(C)C CC(C)C[*:1] CCNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1[*:1]
COc1cc(OC)c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl O=[N+]([O-])[*:1] COc1cc(OC)c(cc1Cl)NC(=O)CSc1nc2ccc(cc2s1)[*:1]
Cc1nn(CC(=O)N(C)[C@H](C)c2ccccc2)c(C)c1S(=O)(=O)N(C)C c1ccc(cc1)[*:1] Cc1nn(CC(=O)N(C)[C@H](C)[*:1])c(C)c1S(=O)(=O)N(C)C
Cc1nn(CC(=O)N(C)[C@H](C)c2ccccc2)c(C)c1S(=O)(=O)N(C)C C[C@H](c1ccccc1)[*:1] Cc1nn(CC(=O)N(C)[*:1])c(C)c1S(=O)(=O)N(C)C
Cc1nn(CC(=O)N(C)[C@H](C)c2ccccc2)c(C)c1S(=O)(=O)N(C)C CN(C)S(=O)(=O)[*:1] Cc1nn(CC(=O)N(C)[C@H](C)c2ccccc2)c(C)c1[*:1]
CCc1ccc(CNC(=O)NNc2cccnn2)s1 c1cnnc(c1)[*:1] CCc1ccc(CNC(=O)NN[*:1])s1
CC(C)[C@@H](CNC(=O)NCC1(c2ccc(F)cc2)CC1)N1CCOCC1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](CNC(=O)NCC1(CC1)[*:1])N1CCOCC1
CC(C)[C@@H](CNC(=O)NCC1(c2ccc(F)cc2)CC1)N1CCOCC1 CC(C)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])NCC1(CC1)c1ccc(F)cc1
CC(C)[C@@H](CNC(=O)NCC1(c2ccc(F)cc2)CC1)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@@H](CNC(=O)NCC1(CC1)c1ccc(F)cc1)[*:1]
CCCOc1ccc([C@H](O)c2cc(C)cc(F)c2)cc1 CCCO[*:1] Cc1cc(F)cc(c1)[C@@H](O)c1ccc(cc1)[*:1]
CCCOc1ccc([C@H](O)c2cc(C)cc(F)c2)cc1 CCC[*:1] Cc1cc(F)cc(c1)[C@@H](O)c1ccc(cc1)O[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@@H](C)C#N)cc1 CCOC(=O)C=C[*:1] C[C@@H](C#N)CNC(=O)Nc1ccc(cc1)[*:1]
CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@@H](C)C#N)cc1 CCOC(=O)[*:1] C[C@@H](C#N)CNC(=O)Nc1ccc(C=C[*:1])cc1
Cc1cc(C[C@H](C)[NH2+]C2CCN(Cc3cccnc3)CC2)n[nH]1 Cc1cc(C[*:1])n[nH]1 C[C@H]([NH2+]C1CCN(CC1)Cc1cccnc1)[*:1]
Cc1cc(C[C@H](C)[NH2+]C2CCN(Cc3cccnc3)CC2)n[nH]1 c1cncc(c1)[*:1] Cc1cc(C[C@H](C)[NH2+]C2CCN(CC2)C[*:1])n[nH]1
Cc1cc(C[C@H](C)[NH2+]C2CCN(Cc3cccnc3)CC2)n[nH]1 c1cncc(c1)C[*:1] Cc1cc(C[C@H](C)[NH2+]C2CCN(CC2)[*:1])n[nH]1
Cc1cc(C[C@H](C)[NH2+]C2CCN(Cc3cccnc3)CC2)n[nH]1 Cc1cc(n[nH]1)[*:1] C[C@@H](C[*:1])[NH2+]C1CCN(CC1)Cc1cccnc1
FC(F)(F)c1nc(Nc2ccccc2)c2nc[nH]c2n1 c1ccc(cc1)[*:1] FC(F)(F)c1nc(N[*:1])c2nc[nH]c2n1
FC(F)(F)c1nc(Nc2ccccc2)c2nc[nH]c2n1 FC(F)(F)[*:1] c1ccc(cc1)Nc1nc(nc2[nH]cnc12)[*:1]
CCOC[C@H]1CCCN(C(=O)Nc2c(C)cc(C)cc2C)C1 CCO[*:1] Cc1cc(C)c(NC(=O)N2CCC[C@@H](C2)C[*:1])c(C)c1
CCOC[C@H]1CCCN(C(=O)Nc2c(C)cc(C)cc2C)C1 CCOC[*:1] Cc1cc(C)c(NC(=O)N2CCC[C@@H](C2)[*:1])c(C)c1
CCCn1c(SCCOC)nc2sc3c(c2c1=O)CCC3 CCC[*:1] COCCSc1nc2sc3CCCc3c2c(=O)n1[*:1]
CCCn1c(SCCOC)nc2sc3c(c2c1=O)CCC3 COC[*:1] CCCn1c(nc2sc3CCCc3c2c1=O)SC[*:1]
CCCn1c(SCCOC)nc2sc3c(c2c1=O)CCC3 COCC[*:1] CCCn1c(nc2sc3CCCc3c2c1=O)S[*:1]
CCCn1c(SCCOC)nc2sc3c(c2c1=O)CCC3 COCCS[*:1] CCCn1c(nc2sc3CCCc3c2c1=O)[*:1]
C[C@H](C(N)=O)S(=O)(=O)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C CC(C)(C)[*:1] C[C@H](C(N)=O)S(=O)(=O)c1nnc(-c2ccc(cc2)[*:1])n1C
C[C@H](C(N)=O)S(=O)(=O)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C NC(=O)[*:1] C[C@H](S(=O)(=O)c1nnc(-c2ccc(cc2)C(C)(C)C)n1C)[*:1]
CC(C)[C@H]([NH3+])C(=O)OC(C)(C)C CC(C)[*:1] CC(C)(C)OC(=O)[C@@H]([NH3+])[*:1]
CC(C)[C@H]([NH3+])C(=O)OC(C)(C)C CC(C)(C)[*:1] CC(C)[C@H]([NH3+])C(=O)O[*:1]
NC(=O)CCN(C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1 NC(=O)C[*:1] O=C(Nc1cccc(c1)C(=O)N(C[*:1])c1ccccc1)C1CC1
NC(=O)CCN(C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1 NC(=O)[*:1] O=C(Nc1cccc(c1)C(=O)N(CC[*:1])c1ccccc1)C1CC1
NC(=O)CCN(C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1 c1ccc(cc1)[*:1] NC(=O)CCN(C(=O)c1cccc(c1)NC(=O)C1CC1)[*:1]
NC(=O)CCN(C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1 NC(=O)CC[*:1] O=C(Nc1cccc(c1)C(=O)N(c1ccccc1)[*:1])C1CC1
NC(=O)CCN(C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1 O=C(N[*:1])C1CC1 NC(=O)CCN(C(=O)c1cccc(c1)[*:1])c1ccccc1
NC(=O)CCN(C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1 C1CC1[*:1] NC(=O)CCN(C(=O)c1cccc(c1)NC(=O)[*:1])c1ccccc1
COc1cc([O-])nc(S[C@H](C)C(=O)Nc2nnc(C(C)C)s2)n1 CC(C)[*:1] COc1cc([O-])nc(n1)S[C@H](C)C(=O)Nc1nnc(s1)[*:1]
CC1=C2C(=O)N=C(CSCC(=O)Nc3nccs3)N=C2S[C@H]1C c1csc(n1)[*:1] CC1=C2C(=O)N=C(CSCC(=O)N[*:1])N=C2S[C@H]1C
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cnc2n(c1=O)CCS2 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1F)[*:1])c1cnc2SCCn2c1=O
CCCn1ncc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1C O=C([O-])[*:1] CCCn1ncc(C(=O)N2CCC[C@H]2[*:1])c1C
CCCn1ncc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1C CCC[*:1] Cc1c(cnn1[*:1])C(=O)N1CCC[C@@H]1C(=O)[O-]
C[C@@H]1CCN(C(=O)[C@@H]2CCCO2)[C@H](C)C1 C1CO[C@@H](C1)[*:1] C[C@@H]1CCN(C(=O)[*:1])[C@H](C)C1
C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(CC(=O)N(C)C2CCCCC2)C1=O CN(C(=O)[*:1])C1CCCCC1 C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(C[*:1])C1=O
C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(CC(=O)N(C)C2CCCCC2)C1=O c1ccc(cc1)[*:1] C[C@@H]1CN(C(=O)[*:1])c2ccccc2N(CC(=O)N(C)C2CCCCC2)C1=O
C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(CC(=O)N(C)C2CCCCC2)C1=O C1CCC(CC1)[*:1] C[C@@H]1CN(C(=O)c2ccccc2)c2ccccc2N(CC(=O)N(C)[*:1])C1=O
Cc1ccc(SCC(=O)N(CC#N)C2CCCC2)cc1 N#CC[*:1] Cc1ccc(cc1)SCC(=O)N(C1CCCC1)[*:1]
Cc1ccc(SCC(=O)N(CC#N)C2CCCC2)cc1 C1CCC(C1)[*:1] Cc1ccc(cc1)SCC(=O)N(CC#N)[*:1]
O=C(NNS(=O)(=O)/C=C/c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NNS(=O)(=O)C=C[*:1])Nc1ccccc1
O=C(NNS(=O)(=O)/C=C/c1ccccc1)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(NNS(=O)(=O)/C=C/c1ccccc1)N[*:1]
Cc1ccc(C(C)(C)C(=O)NCc2cccc(NC(N)=O)c2)cc1 Cc1ccc(cc1)[*:1] CC(C)(C(=O)NCc1cccc(c1)NC(N)=O)[*:1]
Cc1ccc(C(C)(C)C(=O)NCc2cccc(NC(N)=O)c2)cc1 NC(=O)N[*:1] Cc1ccc(cc1)C(C)(C)C(=O)NCc1cccc(c1)[*:1]
CC(C)c1nc(C(=O)N[C@H](C)[C@H]2CCCO2)n[nH]1 CC(C)[*:1] C[C@@H](NC(=O)c1n[nH]c(n1)[*:1])[C@H]1CCCO1
CC(C)c1nc(C(=O)N[C@H](C)[C@H]2CCCO2)n[nH]1 C1CO[C@H](C1)[*:1] CC(C)c1nc(n[nH]1)C(=O)N[C@H](C)[*:1]
Cc1c(NC(=O)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C c1ccc(cc1)[*:1] Cc1c(NC(=O)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c(=O)n(n1C)[*:1]
Cc1c(NC(=O)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C FC(F)(F)[*:1] Cc1c(NC(=O)NC(C(F)(F)F)(C(F)(F)F)[*:1])c(=O)n(-c2ccccc2)n1C
COc1ccccc1C(=O)NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F FC(F)(F)[*:1] COc1ccccc1C(=O)NC(Nc1ccccn1)(C(F)(F)F)[*:1]
COc1ccccc1C(=O)NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F COc1ccccc1[*:1] O=C(NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F)[*:1]
COc1ccccc1C(=O)NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F c1ccc(nc1)N[*:1] COc1ccccc1C(=O)NC(C(F)(F)F)(C(F)(F)F)[*:1]
COc1ccccc1C(=O)NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F c1ccc(nc1)[*:1] COc1ccccc1C(=O)NC(N[*:1])(C(F)(F)F)C(F)(F)F
Cc1cc2cc(CNC(=S)Nc3cccc(C(F)(F)F)c3)ccc2n1C FC(F)(F)[*:1] Cc1cc2cc(ccc2n1C)CNC(=S)Nc1cccc(c1)[*:1]
Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)[C@@H]2C=C(c3ccccn3)N=N2)C1 Cc1ccc(Cl)cc1[*:1] O=C(N[*:1])[C@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)c1ccccn1
Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)[C@@H]2C=C(c3ccccn3)N=N2)C1 c1ccc(nc1)[*:1] Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H]1C=C(N=N1)[*:1]
Cc1ccccc1-c1nc(CC(=O)[O-])cs1 O=C([O-])C[*:1] Cc1ccccc1-c1nc(cs1)[*:1]
Cc1ccccc1-c1nc(CC(=O)[O-])cs1 O=C([O-])[*:1] Cc1ccccc1-c1nc(cs1)C[*:1]
Cc1cccc(Nc2ncnc(NC[C@@H]3CCCO3)c2[N+](=O)[O-])c1C O=[N+]([O-])[*:1] Cc1cccc(Nc2ncnc(NC[C@@H]3CCCO3)c2[*:1])c1C
Cc1cccc(Nc2ncnc(NC[C@@H]3CCCO3)c2[N+](=O)[O-])c1C C1CO[C@@H](C1)[*:1] Cc1cccc(Nc2ncnc(NC[*:1])c2[N+](=O)[O-])c1C
Cc1cccc(Nc2ncnc(NC[C@@H]3CCCO3)c2[N+](=O)[O-])c1C Cc1cccc(c1C)[*:1] O=[N+]([O-])c1c(ncnc1N[*:1])NC[C@@H]1CCCO1
Cc1cccc(Nc2ncnc(NC[C@@H]3CCCO3)c2[N+](=O)[O-])c1C C1CO[C@@H](C1)CN[*:1] Cc1cccc(Nc2ncnc(c2[N+](=O)[O-])[*:1])c1C
O=C(CCSc1ccccn1)N1CCCCC[C@H]1c1ccco1 c1coc(c1)[*:1] O=C(CCSc1ccccn1)N1CCCCC[C@@H]1[*:1]
O=C(CCSc1ccccn1)N1CCCCC[C@H]1c1ccco1 c1ccc(nc1)[*:1] O=C(CCS[*:1])N1CCCCC[C@H]1c1ccco1
O=C(CCSc1ccccn1)N1CCCCC[C@H]1c1ccco1 c1ccc(nc1)S[*:1] O=C(CC[*:1])N1CCCCC[C@H]1c1ccco1
Cc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 Cc1ccc(cc1)[*:1] O=C1C[C@@H](CC2NC3=C(C(=O)c4ccccc43)[C@H](C=21)[*:1])c1ccco1
Cc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 c1coc(c1)[*:1] Cc1ccc(cc1)[C@H]1C2C(=O)C[C@H](CC=2NC2=C1C(=O)c1ccccc12)[*:1]
COc1ccc(CNC(=O)N(C)Cc2ccccc2F)cc1F Fc1ccccc1[*:1] COc1ccc(cc1F)CNC(=O)N(C)C[*:1]
C[C@@]1(C(=O)Nc2ccccc2OC/C(N)=N/O)CCCO1 N/C(CO[*:1])=N\O C[C@]1(CCCO1)C(=O)Nc1ccccc1[*:1]
C[C@@]1(C(=O)Nc2ccccc2OC/C(N)=N/O)CCCO1 N/C(C[*:1])=N\O C[C@]1(CCCO1)C(=O)Nc1ccccc1O[*:1]
C[C@@]1(C(=O)Nc2ccccc2OC/C(N)=N/O)CCCO1 N/C(=N\O)[*:1] C[C@]1(CCCO1)C(=O)Nc1ccccc1OC[*:1]
Cc1ccccc1-n1cc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)cn1 Cc1ccccc1[*:1] CC1(C)[C@@H](NC(=O)c2cnn(c2)[*:1])[C@H]2CCO[C@@H]21
C[C@H](C(=O)[O-])N1CCCC[C@H](NC(=O)OC(C)(C)C)C1=O O=C([O-])[*:1] C[C@H](N1CCCC[C@H](NC(=O)OC(C)(C)C)C1=O)[*:1]
C[C@H](C(=O)[O-])N1CCCC[C@H](NC(=O)OC(C)(C)C)C1=O CC(C)(C)[*:1] C[C@H](C(=O)[O-])N1CCCC[C@H](NC(=O)O[*:1])C1=O
COCc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 COCc1ccc(o1)[*:1] N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[*:1]
COCc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 COC[*:1] N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(o1)[*:1]
COCc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 c1ccc(cc1)[*:1] COCc1ccc(o1)C(=O)N1CCC[C@H]1[C@H](C#N)[*:1]
C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[NH+](C)CCCN(Cc1cc2cc3OCCOc3cc2[nH]c1=O)C(=O)N[*:1]
CC(=O)O[C@H](C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)[*:1] CC(=O)O[C@H](C)c1ccc(cc1)O[*:1]
CC(=O)O[C@H](C)c1ccc(OC(F)(F)F)cc1 CC(=O)O[*:1] C[C@H](c1ccc(cc1)OC(F)(F)F)[*:1]
CC(=O)O[C@H](C)c1ccc(OC(F)(F)F)cc1 FC(F)(F)O[*:1] CC(=O)O[C@H](C)c1ccc(cc1)[*:1]
Cn1ncc2c(=O)n(CCC(=O)OC(C)(C)C)cnc21 CC(C)(C)[*:1] Cn1ncc2c(=O)n(cnc21)CCC(=O)O[*:1]
O=C(Nc1cc2c(cc1Cl)OCCO2)OCCO OCC[*:1] O=C(Nc1cc2OCCOc2cc1Cl)O[*:1]
Cc1ccccc1C(=O)N1CCC(C(=O)OCCCn2c(=O)[nH]c3ccccc32)CC1 Cc1ccccc1[*:1] O=C(OCCCn1c(=O)[nH]c2ccccc21)C1CCN(CC1)C(=O)[*:1]
Cc1ccccc1C(=O)N1CCC(C(=O)OCCCn2c(=O)[nH]c3ccccc32)CC1 O=c1[nH]c2ccccc2n1[*:1] Cc1ccccc1C(=O)N1CCC(CC1)C(=O)OCCC[*:1]
CNC(=O)[C@@H]1CN(c2cnccn2)CCO1 CNC(=O)[*:1] c1cnc(cn1)N1CCO[C@@H](C1)[*:1]
CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@@H]1c1ccc(OC)cc1 CCOC(=O)[*:1] COc1ccc(cc1)[C@H]1NC(=O)N(CCO)C(C)=C1[*:1]
CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@@H]1c1ccc(OC)cc1 OCC[*:1] CCOC(=O)C1=C(C)N(C(=O)N[C@@H]1c1ccc(cc1)OC)[*:1]
CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@H]1[*:1]
CCc1nn(C)c(N2CCC(C(=O)N3CCc4ccccc43)CC2)c1[N+](=O)[O-] O=[N+]([O-])[*:1] CCc1nn(C)c(c1[*:1])N1CCC(CC1)C(=O)N1CCc2ccccc21
COc1cccc(CNC(=O)CN2C(=O)CCCc3ccccc32)c1 COc1cccc(c1)[*:1] O=C(CN1C(=O)CCCc2ccccc21)NC[*:1]
C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2)C1=O)c1ccc2c(c1)OCCO2 Fc1ccc(cc1)[*:1] C[C@@H](NC(=O)CC[C@H]1NC(=O)N(C1=O)[*:1])c1ccc2OCCOc2c1
C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2)C1=O)c1ccc2c(c1)OCCO2 c1cc2OCCOc2cc1[*:1] C[C@@H](NC(=O)CC[C@H]1NC(=O)N(C1=O)c1ccc(F)cc1)[*:1]
COc1ccc(/C=C/c2cc[nH]n2)cc1 c1cc(n[nH]1)[*:1] COc1ccc(C=C[*:1])cc1
C[C@H]1CC(C)(C)N2C(=O)/C(=N/c3ccc(F)cc3)c3cccc1c32 Fc1ccc(cc1)[*:1] C[C@H]1CC(C)(C)N2C(=O)C(=N[*:1])c3cccc1c32
CC(C)(C)SCCNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 CC(C)(C)S[*:1] O=C(NCC[*:1])N[C@H](CO)c1ccc(Cl)c(F)c1
CC(C)(C)SCCNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 CC(C)(C)SC[*:1] O=C(NC[*:1])N[C@H](CO)c1ccc(Cl)c(F)c1
CC(C)(C)SCCNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 CC(C)(C)[*:1] O=C(NCCS[*:1])N[C@H](CO)c1ccc(Cl)c(F)c1
CC(C)(C)SCCNC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 CC(C)(C)SCC[*:1] O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)N[*:1]
CNC(=O)CC1CCN(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)O[*:1] CNC(=O)CC1CCN(CC1)C(=O)NC[C@H](C)[*:1]
CNC(=O)CC1CCN(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)CC1 CNC(=O)C[*:1] C[C@@H](CNC(=O)N1CCC(CC1)[*:1])Oc1ccc(Cl)cc1
CNC(=O)CC1CCN(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] CNC(=O)CC1CCN(CC1)C(=O)NC[C@H](C)O[*:1]
CNC(=O)CC1CCN(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)CC1 CNC(=O)[*:1] C[C@@H](CNC(=O)N1CCC(CC1)C[*:1])Oc1ccc(Cl)cc1
CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)NN1CCCCC1 c1ccc(cc1)C[*:1] CS(=O)(=O)[C@@H](C(=O)NN1CCCCC1)[*:1]
CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)NN1CCCCC1 CS(=O)(=O)[*:1] O=C(NN1CCCCC1)[C@H](Cc1ccccc1)[*:1]
CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)NN1CCCCC1 c1ccc(cc1)[*:1] CS(=O)(=O)[C@@H](C[*:1])C(=O)NN1CCCCC1
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@H]3c2ccc(C#N)cc2)cc1 Cc1ccc(cc1)[*:1] Cn1c(=O)c2c(n3c(c2n(C)c1=O)[C@@H](OCC3(C)C)c1ccc(C#N)cc1)[*:1]
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@H]3c2ccc(C#N)cc2)cc1 N#Cc1ccc(cc1)[*:1] Cc1ccc(cc1)-c1c2c(=O)n(C)c(=O)n(C)c2c2[C@H](OCC(C)(C)n12)[*:1]
O=C(NCc1cccnc1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 FC(F)(F)[*:1] O=C(NCc1cccnc1)C(=O)Nc1ccc(F)c(c1)[*:1]
O=C(NCc1cccnc1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 c1cncc(c1)[*:1] O=C(NC[*:1])C(=O)Nc1ccc(F)c(c1)C(F)(F)F
O=C(NCc1cccnc1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 c1cncc(c1)C[*:1] O=C(Nc1ccc(F)c(c1)C(F)(F)F)C(=O)N[*:1]
Cn1ncc2c(S[C@@H]3CCN(c4ccccc4F)C3=O)ncnc21 Fc1ccccc1[*:1] Cn1ncc2c(ncnc21)S[C@@H]1CCN(C1=O)[*:1]
C[C@H](C(=O)Nc1ccc(SC#N)cc1[N+](=O)[O-])c1ccccc1 N#CS[*:1] C[C@H](C(=O)Nc1ccc(cc1[N+](=O)[O-])[*:1])c1ccccc1
C[C@H](C(=O)Nc1ccc(SC#N)cc1[N+](=O)[O-])c1ccccc1 O=[N+]([O-])[*:1] C[C@H](C(=O)Nc1ccc(cc1[*:1])SC#N)c1ccccc1
C[C@H](C(=O)Nc1ccc(SC#N)cc1[N+](=O)[O-])c1ccccc1 c1ccc(cc1)[*:1] C[C@H](C(=O)Nc1ccc(cc1[N+](=O)[O-])SC#N)[*:1]
COc1ccc(C(=O)N(C)C)cc1NCC(=O)NC1(C#N)CCCC1 CN(C)C(=O)[*:1] COc1ccc(cc1NCC(=O)NC1(C#N)CCCC1)[*:1]
COc1ccc(C(=O)N(C)C)cc1NCC(=O)NC1(C#N)CCCC1 N#CC1(CCCC1)[*:1] COc1ccc(cc1NCC(=O)N[*:1])C(=O)N(C)C
O=C(Nc1cc(F)c(F)cc1F)C(=O)c1cnn(-c2ccccc2)c1 c1ccc(cc1)[*:1] O=C(Nc1cc(F)c(F)cc1F)C(=O)c1cnn(c1)[*:1]
O=C(Cc1ccccn1)[C@H]1CCOC2(CCOCC2)C1 c1ccc(nc1)[*:1] O=C(C[*:1])[C@H]1CCOC2(CCOCC2)C1
C#CCC1(C(=O)[O-])CC[NH2+]CC1 O=C([O-])[*:1] C#CCC1(CC[NH2+]CC1)[*:1]
C#CCC1(C(=O)[O-])CC[NH2+]CC1 C#CC[*:1] O=C([O-])C1(CC[NH2+]CC1)[*:1]
COc1ccc(NC(=O)CNc2cc(C(=O)Nc3ccccc3)ccc2C)cc1Cl c1ccc(cc1)[*:1] COc1ccc(cc1Cl)NC(=O)CNc1cc(ccc1C)C(=O)N[*:1]
COc1ccc(NC(=O)CNc2cc(C(=O)Nc3ccccc3)ccc2C)cc1Cl COc1ccc(cc1Cl)[*:1] Cc1ccc(cc1NCC(=O)N[*:1])C(=O)Nc1ccccc1
COc1ccc(NC(=O)CNc2cc(C(=O)Nc3ccccc3)ccc2C)cc1Cl O=C(Nc1ccccc1)[*:1] COc1ccc(cc1Cl)NC(=O)CNc1cc(ccc1C)[*:1]
O=C(NCc1cccnc1-n1cncn1)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 c1ncn(n1)[*:1] O=C(NCc1cccnc1[*:1])N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)NC1CCCCC1 COC(=O)[*:1] O=C(NC1CCCCC1)N[C@@H]1CCCCC[C@@H]1[*:1]
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)NC1CCCCC1 C1CCC(CC1)[*:1] COC(=O)[C@H]1CCCCC[C@H]1NC(=O)N[*:1]
Cc1n[nH]c(S[C@@H](C)c2nc(-c3cccs3)no2)n1 Cc1n[nH]c(n1)[*:1] C[C@H](S[*:1])c1nc(no1)-c1cccs1
Cc1n[nH]c(S[C@@H](C)c2nc(-c3cccs3)no2)n1 c1csc(c1)[*:1] Cc1n[nH]c(n1)S[C@@H](C)c1nc(no1)[*:1]
O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)Nc1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)N[*:1]
O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)Nc1cc(Cl)cc(Cl)c1 c1cnc(cn1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])Nc1cc(Cl)cc(Cl)c1
O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)Nc1cc(Cl)cc(Cl)c1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2cnccn2)n1[*:1])Nc1cc(Cl)cc(Cl)c1
Cc1ccc(NCc2nc(CCc3ccccc3)no2)cc1C(=O)N(C)C CN(C)C(=O)[*:1] Cc1ccc(cc1[*:1])NCc1nc(CCc2ccccc2)no1
Cc1ccc(NCc2nc(CCc3ccccc3)no2)cc1C(=O)N(C)C c1ccc(cc1)C[*:1] Cc1ccc(cc1C(=O)N(C)C)NCc1nc(C[*:1])no1
Cc1ccc(NCc2nc(CCc3ccccc3)no2)cc1C(=O)N(C)C c1ccc(cc1)[*:1] Cc1ccc(cc1C(=O)N(C)C)NCc1nc(CC[*:1])no1
Cc1ccc(NCc2nc(CCc3ccccc3)no2)cc1C(=O)N(C)C c1ccc(cc1)CC[*:1] Cc1ccc(cc1C(=O)N(C)C)NCc1nc(no1)[*:1]
CC[C@@H](C)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2cc(C)[nH]c2c1=O c1cc2OCOc2cc1[*:1] CC[C@@H](C)n1c(nc2cc(C)[nH]c2c1=O)SCC(=O)N[*:1]
CS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c1 C1CC(C1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c1 Clc1ccc(cc1)[*:1] CS(=O)(=O)c1cccc(c1)C(=O)N[C@H](C1CCC1)[*:1]
CS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c1 CS(=O)(=O)[*:1] O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1cccc(c1)[*:1]
CN(C)c1nc(C(=O)NC2CCCCCC2)nc2nn(C)cc12 C1CCCC(CC1)[*:1] CN(C)c1nc(nc2nn(C)cc12)C(=O)N[*:1]
CN(C)c1nc(C(=O)NC2CCCCCC2)nc2nn(C)cc12 CN(C)[*:1] Cn1cc2c(nc(nc2n1)C(=O)NC1CCCCCC1)[*:1]
COc1cc(OC)c(NC(=O)N(C)Cc2nccs2)cc1Cl c1csc(n1)[*:1] COc1cc(OC)c(cc1Cl)NC(=O)N(C)C[*:1]
COc1cc(OC)c(NC(=O)N(C)Cc2nccs2)cc1Cl c1csc(C[*:1])n1 COc1cc(OC)c(cc1Cl)NC(=O)N(C)[*:1]
O=C(NCCNc1cnccn1)[C@H]1CC=CCC1 c1cnc(cn1)[*:1] O=C(NCCN[*:1])[C@H]1CC=CCC1
CCOc1ccccc1NC(=O)CN1CCOCC1 C1CN(CCO1)[*:1] CCOc1ccccc1NC(=O)C[*:1]
CCOc1ccccc1NC(=O)CN1CCOCC1 CCO[*:1] O=C(CN1CCOCC1)Nc1ccccc1[*:1]
CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]([NH3+])CC CCCCNC(=O)[*:1] CC[C@H]([NH3+])C(=O)N1c2ccccc2C[C@H]1[*:1]
CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]([NH3+])CC CCC[*:1] CC[C@H]([NH3+])C(=O)N1c2ccccc2C[C@H]1C(=O)NC[*:1]
CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]([NH3+])CC CCCC[*:1] CC[C@H]([NH3+])C(=O)N1c2ccccc2C[C@H]1C(=O)N[*:1]
CCC[C@H](C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)c1ccccc1 c1ccc(cc1)[*:1] CCC[C@H](C(=O)Nc1cc2OCC(=O)Nc2cc1Cl)[*:1]
CCC[C@H](C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)c1ccccc1 CCC[*:1] O=C1COc2cc(NC(=O)[C@H](c3ccccc3)[*:1])c(Cl)cc2N1
O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#CCOc1ccccc1F Fc1ccccc1OC[*:1] O=C(C[C@@H]1CSc2nc3CCCc3c(=O)n21)NCC#C[*:1]
O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#CCOc1ccccc1F Fc1ccccc1O[*:1] O=C(C[C@@H]1CSc2nc3CCCc3c(=O)n21)NCC#CC[*:1]
O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#CCOc1ccccc1F Fc1ccccc1[*:1] O=C(C[C@@H]1CSc2nc3CCCc3c(=O)n21)NCC#CCO[*:1]
CCOC(=O)/C=C(/CC)[C@H]1C[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)/C=C(/CC)[C@H]1C[C@H]1[*:1]
CCOC(=O)/C=C(/CC)[C@H]1C[C@@H]1c1ccccc1 CCOC(=O)[*:1] CCC(=C[*:1])[C@H]1C[C@@H]1c1ccccc1
Cc1noc(C)c1S(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1 Cc1noc(C)c1[*:1] Cn1nc(ccc1=O)-c1cccc(c1)NS(=O)(=O)[*:1]
Cc1noc(C)c1S(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1 Cn1nc(ccc1=O)[*:1] Cc1noc(C)c1S(=O)(=O)Nc1cccc(c1)[*:1]
CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OC)cc1 Clc1ccc(cc1)[*:1] CCCN1C(=O)c2[nH]nc(c2[C@H]1c1ccc(cc1)OC)[*:1]
CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OC)cc1 CCC[*:1] COc1ccc(cc1)[C@@H]1c2c(n[nH]c2C(=O)N1[*:1])-c1ccc(Cl)cc1
CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1[*:1]
C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cncc(F)c1 Fc1cncc(c1)[*:1] C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)[*:1]
C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cncc(F)c1 FC(F)(F)C[*:1] C[C@H](N[C@@H]1CCCN(C1=O)[*:1])c1cncc(F)c1
C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cncc(F)c1 FC(F)(F)[*:1] C[C@H](N[C@@H]1CCCN(C[*:1])C1=O)c1cncc(F)c1
C/C(=N/NC(=O)COc1ccccc1C#N)c1ccc2ccccc2c1 N#Cc1ccccc1[*:1] C/C(=N/NC(=O)CO[*:1])c1ccc2ccccc2c1
C[C@](C#N)(COc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCOC1 C1C[C@H](CO1)[*:1] C[C@](C#N)(COc1ccc(F)c(F)c1)NC(=O)[*:1]
O=C(CC1CCCC1)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 C1CCC(C1)C[*:1] O=C(NC[C@@H]1CCCO1)c1cccc(c1)NC(=O)[*:1]
O=C(CC1CCCC1)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 C1CCC(C1)[*:1] O=C(C[*:1])Nc1cccc(c1)C(=O)NC[C@@H]1CCCO1
CC[NH+](CC)[C@H](CNC(=O)c1csnn1)c1ccccc1Cl c1snnc1[*:1] CC[NH+](CC)[C@H](CNC(=O)[*:1])c1ccccc1Cl
CC[NH+](CC)[C@H](CNC(=O)c1csnn1)c1ccccc1Cl Clc1ccccc1[*:1] CC[NH+](CC)[C@H](CNC(=O)c1csnn1)[*:1]
O=C(COC1CCCCC1)Nc1ccccc1OC1CCCC1 C1CCC(C1)O[*:1] O=C(COC1CCCCC1)Nc1ccccc1[*:1]
O=C(COC1CCCCC1)Nc1ccccc1OC1CCCC1 C1CCC(CC1)[*:1] O=C(CO[*:1])Nc1ccccc1OC1CCCC1
O=C(COC1CCCCC1)Nc1ccccc1OC1CCCC1 C1CCC(C1)[*:1] O=C(COC1CCCCC1)Nc1ccccc1O[*:1]
O=C(COC1CCCCC1)Nc1ccccc1OC1CCCC1 C1CCC(CC1)O[*:1] O=C(C[*:1])Nc1ccccc1OC1CCCC1
CC(C)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccco1 CC(C)[*:1] C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N[*:1]
CC(C)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccco1 CC(C)NC(=O)[*:1] C[C@H](NC(=O)c1ccco1)C(=O)OC[*:1]
CC(C)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccco1 c1coc(c1)[*:1] CC(C)NC(=O)COC(=O)[C@H](C)NC(=O)[*:1]
COCCC[C@H]1CCCCN1C(=O)c1cc(C)nc2cc(F)ccc12 COC[*:1] Cc1cc(C(=O)N2CCCC[C@@H]2CC[*:1])c2ccc(F)cc2n1
COCCC[C@H]1CCCCN1C(=O)c1cc(C)nc2cc(F)ccc12 COCC[*:1] Cc1cc(C(=O)N2CCCC[C@@H]2C[*:1])c2ccc(F)cc2n1
COCCC[C@H]1CCCCN1C(=O)c1cc(C)nc2cc(F)ccc12 COCCC[*:1] Cc1cc(C(=O)N2CCCC[C@@H]2[*:1])c2ccc(F)cc2n1
C/[NH+]=C(/NCc1sc(C)nc1C)N[C@@H]1C[C@H]1c1ccccc1F Cc1nc(C)c(s1)[*:1] C/[NH+]=C(/NC[*:1])N[C@@H]1C[C@H]1c1ccccc1F
C/[NH+]=C(/NCc1sc(C)nc1C)N[C@@H]1C[C@H]1c1ccccc1F Fc1ccccc1[*:1] C/[NH+]=C(/NCc1sc(C)nc1C)N[C@@H]1C[C@@H]1[*:1]
COc1cc(NC[C@H](O)CO)c2ncccc2c1 OC[C@@H](O)CN[*:1] COc1cc(c2ncccc2c1)[*:1]
COc1cc(NC[C@H](O)CO)c2ncccc2c1 OC[C@@H](O)C[*:1] COc1cc(N[*:1])c2ncccc2c1
COc1cc(NC[C@H](O)CO)c2ncccc2c1 OC[C@@H](O)[*:1] COc1cc(NC[*:1])c2ncccc2c1
COc1ccc(-c2nnc(SC[C@@H]3CCCO3)o2)c(OC)c1 C1CO[C@@H](C1)CS[*:1] COc1ccc(-c2nnc(o2)[*:1])c(c1)OC
COc1ccc(-c2nnc(SC[C@@H]3CCCO3)o2)c(OC)c1 C1CO[C@@H](C1)[*:1] COc1ccc(-c2nnc(o2)SC[*:1])c(c1)OC
COc1ccc(-c2nnc(SC[C@@H]3CCCO3)o2)c(OC)c1 C1CO[C@@H](C1)C[*:1] COc1ccc(-c2nnc(o2)S[*:1])c(c1)OC
CO[C@H]1C[C@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2Cl)C1 O=C([O-])[*:1] CO[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1Cl)[*:1]
CC[C@]1(C(C)C)NC(=O)N(Cc2cccc(OCC(F)(F)F)c2)C1=O FC(F)(F)[*:1] CC[C@@]1(NC(=O)N(Cc2cccc(c2)OC[*:1])C1=O)C(C)C
CC[C@]1(C(C)C)NC(=O)N(Cc2cccc(OCC(F)(F)F)c2)C1=O CC(C)[*:1] CC[C@@]1(NC(=O)N(Cc2cccc(c2)OCC(F)(F)F)C1=O)[*:1]
CC[C@]1(C(C)C)NC(=O)N(Cc2cccc(OCC(F)(F)F)c2)C1=O FC(F)(F)C[*:1] CC[C@@]1(NC(=O)N(Cc2cccc(c2)O[*:1])C1=O)C(C)C
CC[C@]1(C(C)C)NC(=O)N(Cc2cccc(OCC(F)(F)F)c2)C1=O FC(F)(F)CO[*:1] CC[C@@]1(NC(=O)N(Cc2cccc(c2)[*:1])C1=O)C(C)C
COCCC1(C(=O)Nc2ccc3c(c2)COC3)CCC1 COC[*:1] O=C(Nc1ccc2COCc2c1)C1(CCC1)C[*:1]
COCCC1(C(=O)Nc2ccc3c(c2)COC3)CCC1 COCC[*:1] O=C(Nc1ccc2COCc2c1)C1(CCC1)[*:1]
Cc1ccc(CN(CC(=O)[O-])C(=O)c2cc3c(s2)CCOC3)cc1 Cc1ccc(cc1)[*:1] O=C([O-])CN(C[*:1])C(=O)c1cc2COCCc2s1
Cc1ccc(CN(CC(=O)[O-])C(=O)c2cc3c(s2)CCOC3)cc1 Cc1ccc(cc1)C[*:1] O=C([O-])CN(C(=O)c1cc2COCCc2s1)[*:1]
Cc1ccc(CN(CC(=O)[O-])C(=O)c2cc3c(s2)CCOC3)cc1 O=C([O-])C[*:1] Cc1ccc(cc1)CN(C(=O)c1cc2COCCc2s1)[*:1]
Cc1ccc(CN(CC(=O)[O-])C(=O)c2cc3c(s2)CCOC3)cc1 O=C([O-])[*:1] Cc1ccc(cc1)CN(C[*:1])C(=O)c1cc2COCCc2s1
Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)NC(=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 Cc1ccc(cc1)[*:1] O=C(N[*:1])N1CCN(CC1)S(=O)(=O)c1cccs1
COc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(Cl)ccc32)c1 COc1cccc(c1)[*:1] Cc1ccc(cc1)S(=O)(=O)c1cn(CC(=O)N[*:1])c2ccc(Cl)cc2c1=O
COc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(Cl)ccc32)c1 COc1cccc(c1)NC(=O)[*:1] Cc1ccc(cc1)S(=O)(=O)c1cn(C[*:1])c2ccc(Cl)cc2c1=O
COc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(Cl)ccc32)c1 Cc1ccc(cc1)[*:1] COc1cccc(c1)NC(=O)Cn1cc(c(=O)c2cc(Cl)ccc21)S(=O)(=O)[*:1]
COc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(Cl)ccc32)c1 Cc1ccc(cc1)S(=O)(=O)[*:1] COc1cccc(c1)NC(=O)Cn1cc(c(=O)c2cc(Cl)ccc21)[*:1]
Cc1cccc(N2C(=O)CSC23CCN(C(=O)CCl)CC3)c1 Cc1cccc(c1)[*:1] O=C(CCl)N1CCC2(CC1)SCC(=O)N2[*:1]
COc1ccc(-c2nc(C/C([O-])=N/c3ncn[nH]3)cs2)cc1 c1n[nH]c(n1)[*:1] COc1ccc(cc1)-c1nc(cs1)CC([O-])=N[*:1]
Cc1cc(CCNC(=O)/C=C/c2cccs2)on1 Cc1cc(on1)[*:1] O=C(/C=C/c1cccs1)NCC[*:1]
Cc1cc(CCNC(=O)/C=C/c2cccs2)on1 c1csc(c1)[*:1] Cc1cc(CCNC(=O)C=C[*:1])on1
C[C@H](CCO)CNC(=O)N[C@@H]1CCOc2c(Cl)cccc21 C[C@H](CCO)C[*:1] O=C(N[C@@H]1CCOc2c(Cl)cccc21)N[*:1]
C[C@H](CCO)CNC(=O)N[C@@H]1CCOc2c(Cl)cccc21 C[C@H](CCO)[*:1] O=C(NC[*:1])N[C@@H]1CCOc2c(Cl)cccc21
C[C@H](CCO)CNC(=O)N[C@@H]1CCOc2c(Cl)cccc21 OCC[*:1] C[C@H](CNC(=O)N[C@@H]1CCOc2c(Cl)cccc21)[*:1]
COC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 COC(=O)[*:1] Cc1ccc(cc1)[C@H](C)[NH2+][C@@H](C)[C@@H](C)[*:1]
COC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 COC(=O)[C@H](C)[*:1] Cc1ccc(cc1)[C@H](C)[NH2+][C@@H](C)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)Nc1cncc2ccccc12 CCCS(=O)(=O)[*:1] C[C@H](C(=O)Nc1cncc2ccccc12)[*:1]
CCCS(=O)(=O)[C@H](C)C(=O)Nc1cncc2ccccc12 CCC[*:1] C[C@H](C(=O)Nc1cncc2ccccc12)S(=O)(=O)[*:1]
C=CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1[C@H](C)CC CC[C@@H](C)[*:1] C=CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1[*:1]
C=CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1[C@H](C)CC C=CCO[*:1] CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccccc1[*:1]
C=CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1[C@H](C)CC C=CC[*:1] CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccccc1O[*:1]
CCC[C@@H](C[NH3+])N1CCN(C(=O)N(CC)CC)CC1 CCC[*:1] CCN(CC)C(=O)N1CCN(CC1)[C@H](C[NH3+])[*:1]
CC(C)(C)[C@@H]([NH3+])c1nc(-c2cncc(Br)c2)no1 CC(C)(C)[*:1] [NH3+][C@@H](c1nc(no1)-c1cncc(Br)c1)[*:1]
CCc1ccc(C(=O)/C=C/c2cnc3c(C)cccn23)o1 CCc1ccc(o1)[*:1] Cc1cccn2c(/C=C/C(=O)[*:1])cnc12
CCCN1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)CC1 c1coc(c1)[*:1] CCCN1CCN(CC1)C(=O)[C@H]1Cc2ccccc2CN1C(=O)[*:1]
CCCN1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)CC1 CCC[*:1] O=C([C@H]1Cc2ccccc2CN1C(=O)c1ccco1)N1CCN(CC1)[*:1]
O=C(CCc1nc2ncccc2[nH]1)Nc1ccc(Br)cn1 Brc1ccc(nc1)[*:1] O=C(CCc1nc2ncccc2[nH]1)N[*:1]
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1C[C@H]1C C[C@@H]1C[C@@H]1[*:1] C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[*:1]
CC(C)(C)c1ccc(C(=O)NNC(=S)Nc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] CC(C)(C)c1ccc(cc1)C(=O)NNC(=S)N[*:1]
CC(C)(C)c1ccc(C(=O)NNC(=S)Nc2ccc(F)cc2)cc1 CC(C)(C)[*:1] O=C(NNC(=S)Nc1ccc(F)cc1)c1ccc(cc1)[*:1]
CCOC(=O)c1cc(C(=O)Nc2cccc(C)c2)cc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CCOC(=O)c1cc(cc(c1)[*:1])C(=O)Nc1cccc(C)c1
CCOC(=O)c1cc(C(=O)Nc2cccc(C)c2)cc([N+](=O)[O-])c1 CCOC(=O)[*:1] Cc1cccc(c1)NC(=O)c1cc(cc(c1)[*:1])[N+](=O)[O-]
CCOC(=O)c1cc(C(=O)Nc2cccc(C)c2)cc([N+](=O)[O-])c1 Cc1cccc(c1)[*:1] CCOC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N[*:1]
CC(C)CN1C(=O)C2(CCCC2)N[C@H]1c1cn(C)nc1-c1ccncc1 CC(C)C[*:1] Cn1cc(c(n1)-c1ccncc1)[C@@H]1NC2(CCCC2)C(=O)N1[*:1]
CC(C)CN1C(=O)C2(CCCC2)N[C@H]1c1cn(C)nc1-c1ccncc1 c1cc(ccn1)[*:1] CC(C)CN1C(=O)C2(CCCC2)N[C@H]1c1cn(C)nc1[*:1]
CC(C)CN1C(=O)C2(CCCC2)N[C@H]1c1cn(C)nc1-c1ccncc1 CC(C)[*:1] Cn1cc(c(n1)-c1ccncc1)[C@@H]1NC2(CCCC2)C(=O)N1C[*:1]
CN(C)[C@H](CNC(=O)Nc1ccccc1)c1cccs1 c1ccc(cc1)[*:1] CN(C)[C@H](CNC(=O)N[*:1])c1cccs1
CN(C)[C@H](CNC(=O)Nc1ccccc1)c1cccs1 CN(C)[*:1] O=C(NC[C@H](c1cccs1)[*:1])Nc1ccccc1
CN(C)[C@H](CNC(=O)Nc1ccccc1)c1cccs1 c1csc(c1)[*:1] CN(C)[C@H](CNC(=O)Nc1ccccc1)[*:1]
Cc1cccc(C(=O)N[C@@H](C)C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 Cc1cccc(c1)[*:1] C[C@H](NC(=O)[*:1])C(=O)NCc1ccc(cc1)C[NH+](C)C
CCn1ncc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)Nc1cnn(C)c1C Cc1c(cnn1C)[*:1] CCn1ncc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)N[*:1]
CCn1ncc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)Nc1cnn(C)c1C O=C([O-])[*:1] CCn1ncc(NC(=O)[C@@H]2CCCC[C@H]2[*:1])c1C(=O)Nc1cnn(C)c1C
FC(F)(F)CN1CC[C@@H](OCCCc2ccccc2)C1 FC(F)(F)[*:1] c1ccc(cc1)CCCO[C@@H]1CCN(C1)C[*:1]
FC(F)(F)CN1CC[C@@H](OCCCc2ccccc2)C1 c1ccc(cc1)[*:1] FC(F)(F)CN1CC[C@H](C1)OCCC[*:1]
FC(F)(F)CN1CC[C@@H](OCCCc2ccccc2)C1 FC(F)(F)C[*:1] c1ccc(cc1)CCCO[C@@H]1CCN(C1)[*:1]
CC(=O)c1ccc(NC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2
CNC(=O)[C@H](C)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C CNC(=O)[*:1] Cc1cc(C)c(cc1C(=O)[O-])S(=O)(=O)[C@@H](C)[*:1]
CNC(=O)[C@H](C)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C CNC(=O)[C@H](C)[*:1] Cc1cc(C)c(cc1C(=O)[O-])S(=O)(=O)[*:1]
CNC(=O)[C@H](C)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C O=C([O-])[*:1] CNC(=O)[C@H](C)S(=O)(=O)c1cc(c(C)cc1C)[*:1]
CCOc1ccc(Nc2ccc(F)cc2C(N)=S)cn1 NC(=S)[*:1] CCOc1ccc(cn1)Nc1ccc(F)cc1[*:1]
CCOc1ccc(Nc2ccc(F)cc2C(N)=S)cn1 CCO[*:1] NC(=S)c1cc(F)ccc1Nc1ccc(nc1)[*:1]
C[C@H]1C[C@H]1CN(C)c1cccc(F)c1C(=O)[O-] C[C@H]1C[C@H]1C[*:1] CN(c1cccc(F)c1C(=O)[O-])[*:1]
C[C@H]1C[C@H]1CN(C)c1cccc(F)c1C(=O)[O-] O=C([O-])[*:1] C[C@H]1C[C@H]1CN(C)c1cccc(F)c1[*:1]
C[C@H]1C[C@H]1CN(C)c1cccc(F)c1C(=O)[O-] C[C@H]1C[C@@H]1[*:1] CN(C[*:1])c1cccc(F)c1C(=O)[O-]
Cc1ccc(/C=C/C(=O)NC(=S)N(C)Cc2ccccc2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=S)NC(=O)C=C[*:1]
Cc1ccc(/C=C/C(=O)NC(=S)N(C)Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(/C=C/C(=O)NC(=S)N(C)C[*:1])cc1
Cc1ccc(/C=C/C(=O)NC(=S)N(C)Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(/C=C/C(=O)NC(=S)N(C)[*:1])cc1
C[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccccc2S1(=O)=O Clc1ccc(cc1)[*:1] C[C@@H](N1C(=O)c2ccccc2S1(=O)=O)[*:1]
C[C@H](Cl)[C@@H](C)c1ccnn1C C[C@H](Cl)[*:1] C[C@@H](c1ccnn1C)[*:1]
CCCCn1nc(C(=O)O[C@H]2C[C@@H](C)OC2=O)ccc1=O CCCC[*:1] C[C@@H]1C[C@H](OC(=O)c2ccc(=O)n(n2)[*:1])C(=O)O1
CCCCn1nc(C(=O)O[C@H]2C[C@@H](C)OC2=O)ccc1=O CCC[*:1] C[C@@H]1C[C@H](OC(=O)c2ccc(=O)n(C[*:1])n2)C(=O)O1
CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 CCc1cccc(C)c1[*:1] O=C(C[NH+]1CCC(CC1)C(=O)N1CCOCC1)N[*:1]
CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C(=O)N2CCOCC2)CC1 O=C(N1CCOCC1)[*:1] CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CC1)[*:1]
CCCCNC(=O)NNC(=O)/C=C/c1ccc(C)o1 CCC[*:1] Cc1ccc(/C=C/C(=O)NNC(=O)NC[*:1])o1
CCCCNC(=O)NNC(=O)/C=C/c1ccc(C)o1 CCCC[*:1] Cc1ccc(/C=C/C(=O)NNC(=O)N[*:1])o1
CCCCNC(=O)NNC(=O)/C=C/c1ccc(C)o1 Cc1ccc(o1)[*:1] CCCCNC(=O)NNC(=O)C=C[*:1]
COC(=O)[C@H](NC(=O)c1cnccn1)c1ccc(F)c(F)c1 c1cnc(cn1)[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(F)c(F)c1
COC(=O)[C@H](NC(=O)c1cnccn1)c1ccc(F)c(F)c1 COC(=O)[*:1] O=C(N[C@H](c1ccc(F)c(F)c1)[*:1])c1cnccn1
COc1cc(C)ccc1NC(=O)C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COc1cc(C)ccc1NC(=O)C(=O)NC[C@@H]1CCO[C@@H]1[*:1]
COc1cc(C)ccc1NC(=O)C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 COc1cc(C)ccc1[*:1] O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)C(=O)N[*:1]
Cc1ccc2c(Nc3ccc(C)c(C)c3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 C[C@H]1CCCCN1C(=O)[*:1] Cc1ccc2c(Nc3ccc(C)c(C)c3)c(cnc2n1)[*:1]
Cc1ccc2c(Nc3ccc(C)c(C)c3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 Cc1ccc(cc1C)N[*:1] Cc1ccc2c(c(cnc2n1)C(=O)N1CCCC[C@@H]1C)[*:1]
Cc1ccc2c(Nc3ccc(C)c(C)c3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 Cc1ccc(cc1C)[*:1] Cc1ccc2c(N[*:1])c(cnc2n1)C(=O)N1CCCC[C@@H]1C
O=C(CN1CCN(C(=O)c2cc3cccc(Cl)c3o2)CC1)C1CC1 C1CC1[*:1] O=C(c1cc2cccc(Cl)c2o1)N1CCN(CC1)CC(=O)[*:1]
O=C(CN1CCN(C(=O)c2cc3cccc(Cl)c3o2)CC1)C1CC1 O=C(C1CC1)[*:1] O=C(c1cc2cccc(Cl)c2o1)N1CCN(CC1)C[*:1]
O=C(CN1CCN(C(=O)c2cc3cccc(Cl)c3o2)CC1)C1CC1 O=C(C[*:1])C1CC1 O=C(c1cc2cccc(Cl)c2o1)N1CCN(CC1)[*:1]
COc1cc(OC)cc(C(=O)O[C@H](C)C(N)=O)c1 C[C@H](C(N)=O)[*:1] COc1cc(cc(c1)C(=O)O[*:1])OC
COc1cc(OC)cc(C(=O)O[C@H](C)C(N)=O)c1 NC(=O)[*:1] COc1cc(cc(c1)C(=O)O[C@H](C)[*:1])OC
Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)c(F)c1 FC(F)(F)[*:1] Cc1ccc(NC(=O)COc2cccc(c2)[*:1])c(F)c1
N#Cc1cc2c(nc1N1CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4cc(Cl)ccc34)CC1)CCCC2 Clc1ccc2c(c[nH]c2c1)[*:1] N#Cc1cc2CCCCc2nc1N1CC[NH+](CC1)[C@H](C(=O)[O-])[*:1]
CCC(CC)n1c(CC(N)=S)nc2ccccc21 NC(=S)[*:1] CCC(CC)n1c(C[*:1])nc2ccccc21
CCC(CC)n1c(CC(N)=S)nc2ccccc21 CCC(CC)[*:1] NC(=S)Cc1nc2ccccc2n1[*:1]
CCC(CC)n1c(CC(N)=S)nc2ccccc21 NC(=S)C[*:1] CCC(CC)n1c(nc2ccccc21)[*:1]
C[C@](O)(CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccco1 c1coc(c1)[*:1] C[C@](O)(CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)[*:1]
CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)c1ccccc1C Cc1ccccc1[*:1] CCN(C(=O)c1ccc(o1)S(=O)(=O)N1CCCCC1)[*:1]
CN(C)c1cccc(C(=O)Nc2ccc(CC(=O)NC(C)(C)CO)cc2)c1 CC(C)(CO)[*:1] CN(C)c1cccc(c1)C(=O)Nc1ccc(cc1)CC(=O)N[*:1]
CN(C)c1cccc(C(=O)Nc2ccc(CC(=O)NC(C)(C)CO)cc2)c1 CC(C)(CO)NC(=O)C[*:1] CN(C)c1cccc(c1)C(=O)Nc1ccc(cc1)[*:1]
CN(C)c1cccc(C(=O)Nc2ccc(CC(=O)NC(C)(C)CO)cc2)c1 CC(C)(CO)NC(=O)[*:1] CN(C)c1cccc(c1)C(=O)Nc1ccc(cc1)C[*:1]
CN(C)c1cccc(C(=O)Nc2ccc(CC(=O)NC(C)(C)CO)cc2)c1 CN(C)[*:1] CC(C)(CO)NC(=O)Cc1ccc(cc1)NC(=O)c1cccc(c1)[*:1]
CN(C)c1cccc(C(=O)Nc2ccc(CC(=O)NC(C)(C)CO)cc2)c1 CN(C)c1cccc(c1)[*:1] CC(C)(CO)NC(=O)Cc1ccc(cc1)NC(=O)[*:1]
O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)[*:1]
CCc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1 CCc1ccc(cc1)[*:1] Cc1nnc2S[C@@H](C(=O)N[*:1])[C@H](Nn12)c1ccccc1
CCc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccccc2)cc1 c1ccc(cc1)[*:1] CCc1ccc(cc1)NC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1[*:1]
O=C(CC1CCCCC1)NCC1(NC(=O)CC2CCCCC2)CCOCC1 C1CCC(CC1)C[*:1] O=C(CC1CCCCC1)NCC1(CCOCC1)NC(=O)[*:1]
O=C(CC1CCCCC1)NCC1(NC(=O)CC2CCCCC2)CCOCC1 C1CCC(CC1)C[*:1] O=C(CC1CCCCC1)NC1(CCOCC1)CNC(=O)[*:1]
O=C(CC1CCCCC1)NCC1(NC(=O)CC2CCCCC2)CCOCC1 C1CCC(CC1)[*:1] O=C(CC1CCCCC1)NCC1(CCOCC1)NC(=O)C[*:1]
O=C(CC1CCCCC1)NCC1(NC(=O)CC2CCCCC2)CCOCC1 C1CCC(CC1)[*:1] O=C(C[*:1])NCC1(CCOCC1)NC(=O)CC1CCCCC1
C=CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(CC)ccc21 C=CC[*:1] CCc1ccc2c(c1)s/c(=N\C(=O)[C@@H]1CCCCN1S(C)(=O)=O)n2[*:1]
C=CCS(=O)(=O)/N=C(\[O-])[C@H](C)c1cccs1 C=CC[*:1] C[C@@H](/C([O-])=N/S(=O)(=O)[*:1])c1cccs1
C=CCS(=O)(=O)/N=C(\[O-])[C@H](C)c1cccs1 c1csc(c1)[*:1] C=CCS(=O)(=O)/N=C(\[O-])[C@H](C)[*:1]
O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N1CCN(c2ccccc2F)CC1 c1ccc(cc1)[*:1] O=C(CSc1nc2CCCCc2n1[*:1])N1CCN(CC1)c1ccccc1F
O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] O=C(CSc1nc2CCCCc2n1-c1ccccc1)N1CCN(CC1)[*:1]
COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)N[*:1]
COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(F)c(F)c1 COc1ccccc1[*:1] O=C(Nc1ccc(F)c(F)c1)[C@H]1CC(O)=Nc2c(cnn21)[*:1]
O=C(NCc1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc(F)c1 c1cncc(c1)[*:1] O=C(NCc1ccc(cc1)OC[*:1])C(=O)Nc1cccc(F)c1
O=C(NCc1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc(F)c1 c1cncc(c1)CO[*:1] O=C(NCc1ccc(cc1)[*:1])C(=O)Nc1cccc(F)c1
O=C(NCc1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc(F)c1 Fc1cccc(c1)[*:1] O=C(NCc1ccc(cc1)OCc1cccnc1)C(=O)N[*:1]
O=C(NCc1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc(F)c1 c1cncc(c1)C[*:1] O=C(NCc1ccc(cc1)O[*:1])C(=O)Nc1cccc(F)c1
C[NH2+][C@]1(C(N)=O)CCC[C@@H](OCC2CCCC2)C1 C1CCC(C1)C[*:1] C[NH2+][C@@]1(CCC[C@H](C1)O[*:1])C(N)=O
C[NH2+][C@]1(C(N)=O)CCC[C@@H](OCC2CCCC2)C1 NC(=O)[*:1] C[NH2+][C@@]1(CCC[C@H](C1)OCC1CCCC1)[*:1]
C[NH2+][C@]1(C(N)=O)CCC[C@@H](OCC2CCCC2)C1 C1CCC(C1)[*:1] C[NH2+][C@@]1(CCC[C@H](C1)OC[*:1])C(N)=O
O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc(Cl)cc(Cl)c1 O=C1CSC(=O)N1[*:1] O=C(N[C@@H]1CCCC[C@H]1[*:1])c1cc(Cl)cc(Cl)c1
O=C(N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cc(Cl)cc(Cl)c1 Clc1cc(Cl)cc(c1)[*:1] O=C1CSC(=O)N1[C@H]1CCCC[C@H]1NC(=O)[*:1]
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2c(Cl)cccc2Cl)n(C)c1=O Clc1cccc(Cl)c1[*:1] Cn1c(=O)c2c(ncn2CC(=O)NN=C[*:1])n(C)c1=O
CC(C)[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccccc1Cl c1cncc(c1)[*:1] CC(C)[C@@H](NCc1cnc(s1)[*:1])c1ccccc1Cl
CC(C)[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccccc1Cl CC(C)[*:1] Clc1ccccc1[C@H](NCc1cnc(s1)-c1cccnc1)[*:1]
CC(C)[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccccc1Cl Clc1ccccc1[*:1] CC(C)[C@@H](NCc1cnc(s1)-c1cccnc1)[*:1]
C[C@@H]1CN(S(=O)(=O)CCN/C(N)=[NH+]/C[C@@H]2CCCO2)C[C@@H](C)O1 C1CO[C@@H](C1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)CCN/C(N)=[NH+]/C[*:1]
O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)NC[C@@H]1C[C@@]12CCc1ccccc12 c1ccc(cc1)[*:1] O=C(NC[C@@H]1CCO[C@H]1[*:1])NC[C@@H]1C[C@@]12CCc1ccccc12
CCOc1ncccc1CNC(=O)N1[C@H](C)CCC[C@H]1C CCO[*:1] C[C@@H]1CCC[C@@H](C)N1C(=O)NCc1cccnc1[*:1]
Cc1cc(Nc2ccc(NC(=O)c3cnccn3)cc2)nc(N2CCCCC2)n1 C1CCN(CC1)[*:1] Cc1cc(nc(n1)[*:1])Nc1ccc(cc1)NC(=O)c1cnccn1
Cc1cc(Nc2ccc(NC(=O)c3cnccn3)cc2)nc(N2CCCCC2)n1 O=C(N[*:1])c1cnccn1 Cc1cc(nc(n1)N1CCCCC1)Nc1ccc(cc1)[*:1]
Cc1cc(Nc2ccc(NC(=O)c3cnccn3)cc2)nc(N2CCCCC2)n1 c1cnc(cn1)[*:1] Cc1cc(nc(n1)N1CCCCC1)Nc1ccc(cc1)NC(=O)[*:1]
CS(=O)(=O)CCOCC[NH2+]C1CCCCCCC1 CS(=O)(=O)CC[*:1] C1CCCC(CCC1)[NH2+]CCO[*:1]
CS(=O)(=O)CCOCC[NH2+]C1CCCCCCC1 CS(=O)(=O)C[*:1] C1CCCC(CCC1)[NH2+]CCOC[*:1]
CS(=O)(=O)CCOCC[NH2+]C1CCCCCCC1 CS(=O)(=O)[*:1] C1CCCC(CCC1)[NH2+]CCOCC[*:1]
Cc1onc(-c2ccccc2)c1-c1nnc(CSc2c(F)cc(F)cc2F)o1 Fc1cc(F)c(c(F)c1)[*:1] Cc1onc(-c2ccccc2)c1-c1nnc(CS[*:1])o1
Cc1onc(-c2ccccc2)c1-c1nnc(CSc2c(F)cc(F)cc2F)o1 c1ccc(cc1)[*:1] Cc1onc(c1-c1nnc(CSc2c(F)cc(F)cc2F)o1)[*:1]
O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1Cl Clc1ccccc1[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])N1CCC(CC1)Cc1ccccc1)[*:1]
O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1Cl O=[N+]([O-])[*:1] O=C(NNc1ncnc(c1[*:1])N1CCC(CC1)Cc1ccccc1)c1ccccc1Cl
O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1Cl c1ccc(cc1)[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])N1CCC(CC1)C[*:1])c1ccccc1Cl
O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1Cl c1ccc(cc1)C[*:1] O=C(NNc1ncnc(c1[N+](=O)[O-])N1CCC(CC1)[*:1])c1ccccc1Cl
O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1Cl O=C(NN[*:1])c1ccccc1Cl O=[N+]([O-])c1c(ncnc1[*:1])N1CCC(CC1)Cc1ccccc1
CCOc1ccccc1[C@H](O)[C@@]1([NH+](C)C)CCC[C@H](C)C1 CCO[*:1] C[C@H]1CCC[C@@](C1)([C@@H](O)c1ccccc1[*:1])[NH+](C)C
CCOCCO[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccccc2)C1 c1ccc(cc1)[*:1] CCOCCO[C@H]1CCN(C1)C(=O)c1cn(C)nc1[*:1]
CCOCCO[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccccc2)C1 CCO[*:1] Cn1cc(C(=O)N2CC[C@@H](C2)OCC[*:1])c(n1)-c1ccccc1
CCOCCO[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccccc2)C1 CCOCC[*:1] Cn1cc(C(=O)N2CC[C@@H](C2)O[*:1])c(n1)-c1ccccc1
CCOCCO[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccccc2)C1 CCOCCO[*:1] Cn1cc(C(=O)N2CC[C@@H](C2)[*:1])c(n1)-c1ccccc1
CCOCCO[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccccc2)C1 CCOC[*:1] Cn1cc(C(=O)N2CC[C@@H](C2)OC[*:1])c(n1)-c1ccccc1
CC[NH+](CC)[C@H]1CCN(C(=O)c2csc3nc(-c4ccccc4)cn23)C1 c1ccc(cc1)[*:1] CC[NH+](CC)[C@H]1CCN(C1)C(=O)c1csc2nc(cn12)[*:1]
CC(=O)Nc1ccc(/C(C)=N\N=C2/NC(=O)CS2)cc1 CC(=O)N[*:1] C/C(=N/N=C1\NC(=O)CS1)c1ccc(cc1)[*:1]
CCOc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 CCO[*:1] C[C@H]1CN(C[C@@H](C)O1)C(=O)CCNS(=O)(=O)c1ccc(cc1)[*:1]
Cc1ccc([C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)N2CCOCC2)o1 C1CN(CCO1)[*:1] Cc1ccc(o1)[C@@H](CNC(=O)N1CCN(CC1)c1cc[nH+]cc1)[*:1]
Cc1ccc([C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)N2CCOCC2)o1 Cc1ccc(o1)[*:1] O=C(NC[C@@H](N1CCOCC1)[*:1])N1CCN(CC1)c1cc[nH+]cc1
Oc1ccc(OC(F)F)c(F)c1 FC(F)[*:1] Oc1ccc(O[*:1])c(F)c1
Oc1ccc(OC(F)F)c(F)c1 FC(F)O[*:1] Oc1ccc(c(F)c1)[*:1]
COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 Fc1ccccc1[*:1] COc1ccc(C)cc1S(=O)(=O)N1CCN(CC1)[*:1]
Nn1c(SCC(=O)NCCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nn1c(nnc1[*:1])SCC(=O)NCCc1ccc(Cl)cc1
Nn1c(SCC(=O)NCCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Nn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)NCC[*:1]
Nn1c(SCC(=O)NCCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)CC[*:1] Nn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)N[*:1]
Nn1c(SCC(=O)NCCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] Nn1c(nnc1-c1ccc(Cl)cc1)SCC(=O)NC[*:1]
O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@@H](c2nnc3ccccn23)C1 Clc1ccc(Cl)c(c1)[*:1] O=C(CO[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@@H](c2nnc3ccccn23)C1 Clc1ccc(Cl)c(c1)O[*:1] O=C(C[*:1])N1CCC[C@H](C1)c1nnc2ccccn12
O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@@H](c2nnc3ccccn23)C1 c1ccn2c(nnc2c1)[*:1] O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@@H](C1)[*:1]
CCOCCNC(=O)Nc1cc(F)ccc1F CCOCC[*:1] O=C(Nc1cc(F)ccc1F)N[*:1]
CCOCCNC(=O)Nc1cc(F)ccc1F CCO[*:1] O=C(NCC[*:1])Nc1cc(F)ccc1F
CCOCCNC(=O)Nc1cc(F)ccc1F CCOC[*:1] O=C(NC[*:1])Nc1cc(F)ccc1F
CNc1cc(C(=O)N(C)C[C@H]2Cc3ccccc3CN2C)ccn1 CNc1cc(ccn1)[*:1] CN(C[C@H]1Cc2ccccc2CN1C)C(=O)[*:1]
O=C1NCc2cc(OCc3ccc(C(F)(F)F)cc3)ccc21 FC(F)(F)[*:1] O=C1NCc2cc(ccc21)OCc1ccc(cc1)[*:1]
Cc1c(N)cccc1OCC#N N#CCO[*:1] Cc1c(N)cccc1[*:1]
Cc1c(N)cccc1OCC#N N#CC[*:1] Cc1c(N)cccc1O[*:1]
COCC[C@H](N[C@H](C)c1nc2ccccc2n1C)c1ccc(Cl)cc1 COCC[*:1] C[C@@H](N[C@H](c1ccc(Cl)cc1)[*:1])c1nc2ccccc2n1C
COCC[C@H](N[C@H](C)c1nc2ccccc2n1C)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COCC[C@H](N[C@H](C)c1nc2ccccc2n1C)[*:1]
COCC[C@H](N[C@H](C)c1nc2ccccc2n1C)c1ccc(Cl)cc1 COC[*:1] C[C@@H](N[C@@H](C[*:1])c1ccc(Cl)cc1)c1nc2ccccc2n1C
C[C@H]1CC[NH2+][C@H]1c1ccccc1C1CC1 C1CC1[*:1] C[C@H]1CC[NH2+][C@H]1c1ccccc1[*:1]
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)c1[nH]nc2c1CCCC2 FC(F)O[*:1] O=C(NC[C@@H](O)c1cccc(c1)[*:1])c1[nH]nc2CCCCc21
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)c1[nH]nc2c1CCCC2 FC(F)[*:1] O=C(NC[C@@H](O)c1cccc(c1)O[*:1])c1[nH]nc2CCCCc21
Cc1nc(CCNC(=O)Cn2c(C)cc3ccccc32)cs1 Cc1nc(cs1)C[*:1] Cc1cc2ccccc2n1CC(=O)NC[*:1]
Cc1nc(CCNC(=O)Cn2c(C)cc3ccccc32)cs1 Cc1nc(cs1)[*:1] Cc1cc2ccccc2n1CC(=O)NCC[*:1]
CC(C)(C)[C@@H]([NH3+])CCc1cc(F)ccc1Br CC(C)(C)[*:1] [NH3+][C@@H](CCc1cc(F)ccc1Br)[*:1]
CC(C)n1cncc1[C@H](CO)[NH2+]Cc1cccs1 c1csc(c1)C[*:1] CC(C)n1cncc1[C@H](CO)[NH2+][*:1]
CC(C)n1cncc1[C@H](CO)[NH2+]Cc1cccs1 CC(C)[*:1] OC[C@H]([NH2+]Cc1cccs1)c1cncn1[*:1]
CC(C)n1cncc1[C@H](CO)[NH2+]Cc1cccs1 c1csc(c1)[*:1] CC(C)n1cncc1[C@H](CO)[NH2+]C[*:1]
CCOc1cc2c(cc1OCC)[C@H](c1ccc(C#N)cc1)[NH2+]CC2 N#Cc1ccc(cc1)[*:1] CCOc1cc2CC[NH2+][C@@H](c2cc1OCC)[*:1]
CCOc1cc2c(cc1OCC)[C@H](c1ccc(C#N)cc1)[NH2+]CC2 CCO[*:1] CCOc1cc2CC[NH2+][C@@H](c3ccc(C#N)cc3)c2cc1[*:1]
CCOc1cc2c(cc1OCC)[C@H](c1ccc(C#N)cc1)[NH2+]CC2 CCO[*:1] CCOc1cc2c(cc1[*:1])CC[NH2+][C@H]2c1ccc(C#N)cc1
CC(=O)N1CCC(NC(=O)COc2cccc(C(F)(F)F)c2)CC1 FC(F)(F)[*:1] CC(=O)N1CCC(CC1)NC(=O)COc1cccc(c1)[*:1]
COc1ccccc1C(=O)NC[C@@](O)(c1cccs1)C1CC1 C1CC1[*:1] COc1ccccc1C(=O)NC[C@@](O)(c1cccs1)[*:1]
COc1ccccc1C(=O)NC[C@@](O)(c1cccs1)C1CC1 c1csc(c1)[*:1] COc1ccccc1C(=O)NC[C@@](O)(C1CC1)[*:1]
O=C(NCCn1ncc2c(N3CCOCC3)ncnc21)c1ccc(F)c(F)c1 C1CN(CCO1)[*:1] O=C(NCCn1ncc2c(ncnc21)[*:1])c1ccc(F)c(F)c1
O=C(NCCn1ncc2c(N3CCOCC3)ncnc21)c1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(NCCn1ncc2c(ncnc21)N1CCOCC1)[*:1]
Cc1sc2ncn(NC(=O)Cc3ccc(F)cc3)c(=O)c2c1-c1ccccc1 c1ccc(cc1)[*:1] Cc1sc2ncn(NC(=O)Cc3ccc(F)cc3)c(=O)c2c1[*:1]
Cc1sc2ncn(NC(=O)Cc3ccc(F)cc3)c(=O)c2c1-c1ccccc1 Fc1ccc(cc1)C[*:1] Cc1sc2ncn(NC(=O)[*:1])c(=O)c2c1-c1ccccc1
Cc1sc2ncn(NC(=O)Cc3ccc(F)cc3)c(=O)c2c1-c1ccccc1 Fc1ccc(cc1)[*:1] Cc1sc2ncn(NC(=O)C[*:1])c(=O)c2c1-c1ccccc1
COc1ccc([C@H](C)Nc2nnnn2-c2ccccc2)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(c(c1)OC)[C@H](C)Nc1nnnn1[*:1]
O=C(Nc1cccc(C(=O)N2CCCc3ccccc32)c1)c1ccnc2cccnc12 c1cnc2c(ccnc2c1)[*:1] O=C(c1cccc(c1)NC(=O)[*:1])N1CCCc2ccccc21
CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ncc(C)s1 Cc1cnc(s1)[*:1] CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)[*:1]
Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCN(CC1)C[*:1]
Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)C[*:1] Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCN(CC1)[*:1]
Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCN(Cc2ccccc2)CC1 c1ccc(cc1)[*:1] Cc1nc2c(c(C)nn2c(C)c1CCC(=O)N1CCN(CC1)Cc1ccccc1)[*:1]
Cc1c([C@H](C)NC(=O)NCc2ccsc2)oc2ccccc12 c1cc(cs1)[*:1] Cc1c(oc2ccccc12)[C@H](C)NC(=O)NC[*:1]
Cc1c([C@H](C)NC(=O)NCc2ccsc2)oc2ccccc12 c1cc(cs1)C[*:1] Cc1c(oc2ccccc12)[C@H](C)NC(=O)N[*:1]
COc1ccc(-c2cnc(CN[C@@H](C3CCCC3)C(F)(F)F)o2)cc1 COc1ccc(cc1)[*:1] FC(F)(F)[C@@H](NCc1ncc(o1)[*:1])C1CCCC1
COc1ccc(-c2cnc(CN[C@@H](C3CCCC3)C(F)(F)F)o2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)-c1cnc(CN[C@@H](C(F)(F)F)[*:1])o1
COc1ccc(-c2cnc(CN[C@@H](C3CCCC3)C(F)(F)F)o2)cc1 FC(F)(F)[*:1] COc1ccc(cc1)-c1cnc(CN[C@@H](C2CCCC2)[*:1])o1
O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)sc2c1CCCC2 O=C(NC1CCCCC1)[*:1] O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1sc2CCCCc2c1[*:1]
O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)sc2c1CCCC2 O=C([O-])[*:1] O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2[C@@H]([C@H]3CC[C@@H]2C3)[*:1])sc2CCCCc21
O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)sc2c1CCCC2 C1CCC(CC1)[*:1] O=C(N[*:1])c1c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2C3)sc2CCCCc21
CCC[NH+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnc2ncccn12 Clc1ccc(cc1)[*:1] CCC[NH+](CC(=O)N[*:1])Cc1cnc2ncccn12
CCC[NH+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnc2ncccn12 CCC[*:1] O=C(C[NH+](Cc1cnc2ncccn12)[*:1])Nc1ccc(Cl)cc1
Cc1c([C@@H](C)NCc2ccc3nonc3c2)cnn1-c1ccccc1 c1ccc(cc1)[*:1] Cc1c(cnn1[*:1])[C@@H](C)NCc1ccc2nonc2c1
CC(C)c1noc(CN2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 c1cnc(nc1)[*:1] CC(C)c1noc(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]32)[*:1])n1
CC(C)c1noc(CN2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 CC(C)[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N(CCN2c1ncccn1)Cc1nc(no1)[*:1]
CC(C)c1noc(CN2CCN(c3ncccn3)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 CC(C)c1noc(n1)[*:1] O=S1(=O)C[C@@H]2[C@H](C1)N(CCN2c1ncccn1)C[*:1]
COC[C@@H](N)C(C)(C)[NH+]1CCCC1 COC[*:1] CC(C)([C@H](N)[*:1])[NH+]1CCCC1
COc1cc(/C=C/C(=O)O[C@@H](C#N)C2CC2)cc(OC)c1 C1CC1[*:1] COc1cc(/C=C/C(=O)O[C@@H](C#N)[*:1])cc(c1)OC
COc1cc2c(cc1NC(=O)[C@H](C)NC(N)=O)oc1ccccc12 C[C@H](NC(N)=O)[*:1] COc1cc2c(cc1NC(=O)[*:1])oc1ccccc12
COc1cc2c(cc1NC(=O)[C@H](C)NC(N)=O)oc1ccccc12 NC(=O)N[*:1] COc1cc2c(cc1NC(=O)[C@H](C)[*:1])oc1ccccc12
CC(C)CCNc1ncnc(N[C@H](C)c2ccccc2)c1N CC(C)CCN[*:1] C[C@@H](Nc1ncnc(c1N)[*:1])c1ccccc1
CC(C)CCNc1ncnc(N[C@H](C)c2ccccc2)c1N c1ccc(cc1)[*:1] CC(C)CCNc1ncnc(N[C@H](C)[*:1])c1N
CC(C)CCNc1ncnc(N[C@H](C)c2ccccc2)c1N CC(C)C[*:1] C[C@@H](Nc1ncnc(NC[*:1])c1N)c1ccccc1
CC(C)CCNc1ncnc(N[C@H](C)c2ccccc2)c1N CC(C)CC[*:1] C[C@@H](Nc1ncnc(N[*:1])c1N)c1ccccc1
CC(C)CCNc1ncnc(N[C@H](C)c2ccccc2)c1N CC(C)[*:1] C[C@@H](Nc1ncnc(NCC[*:1])c1N)c1ccccc1
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2c2sccc2C)cc1 C1CO[C@@H](C1)C[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N([C@H]1c1sccc1C)[*:1]
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2c2sccc2C)cc1 C1CO[C@@H](C1)[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[*:1])[C@H]1c1sccc1C
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2c2sccc2C)cc1 COc1ccc(cc1)[*:1] Cc1ccsc1[C@H]1C(C(=O)[*:1])=C([O-])C(=O)N1C[C@@H]1CCCO1
COc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@H]2c2sccc2C)cc1 Cc1ccsc1[*:1] COc1ccc(cc1)C(=O)C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1[*:1]
NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 c1ccc(cc1)C[*:1] NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1CS[*:1]
NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 c1ccc(cc1)[*:1] NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1CSC[*:1]
NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 NC(=O)c1ccsc1[*:1] O=C(N[*:1])c1oc2ccccc2c1CSCc1ccccc1
NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 NC(=O)[*:1] O=C(Nc1sccc1[*:1])c1oc2ccccc2c1CSCc1ccccc1
NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 c1ccc(cc1)CSC[*:1] NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1[*:1]
NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 c1ccc(cc1)CS[*:1] NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1C[*:1]
N#CCn1ccc(-c2ccccn2)n1 N#CC[*:1] c1ccc(nc1)-c1ccn(n1)[*:1]
CCC[NH2+][C@H](c1cc(C)c(Br)s1)[C@]1(C)CCCO1 C[C@@]1(CCCO1)[*:1] CCC[NH2+][C@H](c1cc(C)c(Br)s1)[*:1]
CCC[NH2+][C@H](c1cc(C)c(Br)s1)[C@]1(C)CCCO1 CCC[*:1] Cc1cc(sc1Br)[C@@H]([NH2+][*:1])[C@]1(C)CCCO1
O=C(/N=C(/[N-]C[C@H]1CCCO1)Nc1cccc(F)c1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(/N=C(/[N-]C[C@H]1CCCO1)Nc1cccc(F)c1)[*:1]
O=C(/N=C(/[N-]C[C@H]1CCCO1)Nc1cccc(F)c1)c1ccc(F)cc1 Fc1cccc(c1)[*:1] O=C(/N=C(/[N-]C[C@H]1CCCO1)N[*:1])c1ccc(F)cc1
Cc1ccccc1OCC(=O)c1nc(C)c(C(=O)[O-])s1 O=C([O-])[*:1] Cc1ccccc1OCC(=O)c1nc(C)c(s1)[*:1]
c1c[nH]c(-c2nc(-c3cnccn3)no2)c1 c1c[nH]c(c1)[*:1] c1cnc(cn1)-c1noc(n1)[*:1]
OCCOc1cccc(CN2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccccc2F)c1 OCCOc1cccc(c1)[*:1] Fc1ccccc1[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C[*:1]
OCCOc1cccc(CN2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccccc2F)c1 OCCO[*:1] Fc1ccccc1[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1Cc1cccc(c1)[*:1]
OCCOc1cccc(CN2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccccc2F)c1 Fc1ccccc1[*:1] OCCOc1cccc(c1)CN1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1[*:1]
OCCOc1cccc(CN2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccccc2F)c1 OCC[*:1] Fc1ccccc1[C@@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1Cc1cccc(c1)O[*:1]
O=C1C[C@@H](Cc2ccc(NC(=O)[C@H](O)c3ccccc3)cc2)C(=O)N1 O=C1C[C@@H](C[*:1])C(=O)N1 O=C(Nc1ccc(cc1)[*:1])[C@H](O)c1ccccc1
O=C1C[C@@H](Cc2ccc(NC(=O)[C@H](O)c3ccccc3)cc2)C(=O)N1 c1ccc(cc1)[*:1] O=C1C[C@@H](Cc2ccc(cc2)NC(=O)[C@H](O)[*:1])C(=O)N1
O=C1C[C@@H](Cc2ccc(NC(=O)[C@H](O)c3ccccc3)cc2)C(=O)N1 O[C@H](c1ccccc1)[*:1] O=C1C[C@@H](Cc2ccc(cc2)NC(=O)[*:1])C(=O)N1
CN(CC1CC[NH2+]CC1)c1nccc(C(F)(F)F)n1 FC(F)(F)[*:1] CN(CC1CC[NH2+]CC1)c1nccc(n1)[*:1]
Cc1cccn2c(=O)c(C(=O)NOCC(C)C)cnc12 CC(C)[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NOC[*:1]
Cc1cccn2c(=O)c(C(=O)NOCC(C)C)cnc12 CC(C)C[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NO[*:1]
Cc1cccc(C(=O)NCC(=O)N[C@H](c2ccccc2)C(C)C)c1 c1ccc(cc1)[*:1] Cc1cccc(c1)C(=O)NCC(=O)N[C@H](C(C)C)[*:1]
Cc1cccc(C(=O)NCC(=O)N[C@H](c2ccccc2)C(C)C)c1 Cc1cccc(c1)[*:1] CC(C)[C@H](NC(=O)CNC(=O)[*:1])c1ccccc1
Cc1cccc(C(=O)NCC(=O)N[C@H](c2ccccc2)C(C)C)c1 CC(C)[*:1] Cc1cccc(c1)C(=O)NCC(=O)N[C@H](c1ccccc1)[*:1]
O=C(CN1C(=O)CCC1=O)N1CCN(Cc2cc(-c3ccccc3)[nH]n2)CC1 O=C1CCC(=O)N1[*:1] O=C(C[*:1])N1CCN(CC1)Cc1cc([nH]n1)-c1ccccc1
O=C(CN1C(=O)CCC1=O)N1CCN(Cc2cc(-c3ccccc3)[nH]n2)CC1 c1ccc(cc1)[*:1] O=C(CN1C(=O)CCC1=O)N1CCN(CC1)Cc1cc([nH]n1)[*:1]
O=C(CN1C(=O)CCC1=O)N1CCN(Cc2cc(-c3ccccc3)[nH]n2)CC1 O=C1CCC(=O)N1C[*:1] O=C(N1CCN(CC1)Cc1cc([nH]n1)-c1ccccc1)[*:1]
Cc1cc(CC[NH3+])nc(-c2c(F)ccc([N+](=O)[O-])c2F)n1 O=[N+]([O-])[*:1] Cc1cc(CC[NH3+])nc(n1)-c1c(F)ccc(c1F)[*:1]
Cc1cc(CC[NH3+])nc(-c2c(F)ccc([N+](=O)[O-])c2F)n1 [NH3+]CC[*:1] Cc1cc(nc(n1)-c1c(F)ccc(c1F)[N+](=O)[O-])[*:1]
CNC(=O)CC1CCN(C(=O)c2cccc(OC)c2OC(F)F)CC1 CNC(=O)[*:1] COc1cccc(C(=O)N2CCC(CC2)C[*:1])c1OC(F)F
CNC(=O)CC1CCN(C(=O)c2cccc(OC)c2OC(F)F)CC1 FC(F)O[*:1] CNC(=O)CC1CCN(CC1)C(=O)c1cccc(OC)c1[*:1]
CNC(=O)CC1CCN(C(=O)c2cccc(OC)c2OC(F)F)CC1 CNC(=O)C[*:1] COc1cccc(C(=O)N2CCC(CC2)[*:1])c1OC(F)F
CNC(=O)CC1CCN(C(=O)c2cccc(OC)c2OC(F)F)CC1 FC(F)[*:1] CNC(=O)CC1CCN(CC1)C(=O)c1cccc(OC)c1O[*:1]
COc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] COc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCN(CC1)C(=O)[*:1]
COc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 COc1ccccc1[*:1] O=C(c1ccccc1)N1CCN(CC1)c1ccccc1NC(=S)NC(=O)[*:1]
O=c1c2ccccc2nc(CCc2nc(-c3ccncc3)no2)n1C1CC1 C1CC1[*:1] O=c1c2ccccc2nc(CCc2nc(no2)-c2ccncc2)n1[*:1]
O=c1c2ccccc2nc(CCc2nc(-c3ccncc3)no2)n1C1CC1 c1cc(ccn1)[*:1] O=c1c2ccccc2nc(CCc2nc(no2)[*:1])n1C1CC1
CC[NH2+][C@@H](CCc1ccc2c(c1)CCO2)C(C)(C)OC COC(C)(C)[*:1] CC[NH2+][C@@H](CCc1ccc2OCCc2c1)[*:1]
Cc1nc([C@@H](C)NC(=O)c2cn(CCC3CCCCC3)nn2)n[nH]1 Cc1nc(n[nH]1)[*:1] C[C@@H](NC(=O)c1cn(CCC2CCCCC2)nn1)[*:1]
Cc1nc([C@@H](C)NC(=O)c2cn(CCC3CCCCC3)nn2)n[nH]1 C1CCC(CC1)C[*:1] Cc1nc(n[nH]1)[C@@H](C)NC(=O)c1cn(C[*:1])nn1
Cc1nc([C@@H](C)NC(=O)c2cn(CCC3CCCCC3)nn2)n[nH]1 C1CCC(CC1)[*:1] Cc1nc(n[nH]1)[C@@H](C)NC(=O)c1cn(CC[*:1])nn1
Cc1nc([C@@H](C)NC(=O)c2cn(CCC3CCCCC3)nn2)n[nH]1 C1CCC(CC1)CC[*:1] Cc1nc(n[nH]1)[C@@H](C)NC(=O)c1cn(nn1)[*:1]
Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)cc1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1ccc(cc1[N+](=O)[O-])C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1[*:1]
Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1ccc(cc1[*:1])C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1
Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)cc1[N+](=O)[O-] Cc1ccc(cc1[N+](=O)[O-])[*:1] O=C1CN(C(=O)[*:1])[C@@H](c2ccccc2)c2cc(Cl)ccc2N1
COC(=O)[C@@]1(Nc2ccc(F)cc2)CCCC1(C)C COC(=O)[*:1] CC1(C)CCC[C@@]1(Nc1ccc(F)cc1)[*:1]
Cc1cc([C@](C)(O)CNc2ncnc3[nH]cnc23)c(C)o1 Cc1cc(c(C)o1)[*:1] C[C@](O)(CNc1ncnc2[nH]cnc12)[*:1]
[NH3+][C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)[O-] O=C([O-])[*:1] [NH3+][C@H](Cc1cc(Br)c(O)c(Br)c1)[*:1]
CCCn1cc(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)c(C)n1 CCC[*:1] Cc1nn(cc1C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12)[*:1]
CCCn1cc(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)c(C)n1 CCCn1cc(c(C)n1)[*:1] CN1C(=O)C2(CCN(CC2)C(=O)[*:1])c2ccccc21
Cc1ccc(-n2nnnc2SCc2cc(=O)n3ccccc3n2)cc1C Cc1ccc(cc1C)[*:1] O=c1cc(CSc2nnnn2[*:1])nc2ccccn12
CCOc1cc(SC[C@H](O)CO)c(N)cc1F OC[C@@H](O)C[*:1] CCOc1cc(S[*:1])c(N)cc1F
CCOc1cc(SC[C@H](O)CO)c(N)cc1F OC[C@@H](O)[*:1] CCOc1cc(SC[*:1])c(N)cc1F
CCOc1cc(SC[C@H](O)CO)c(N)cc1F CCO[*:1] Nc1cc(F)c(cc1SC[C@H](O)CO)[*:1]
CCN(CCO)C(=O)Nc1c(C)cccc1C OCC[*:1] CCN(C(=O)Nc1c(C)cccc1C)[*:1]
CCN(C/C=C/c1ccco1)C[C@H](C)C#N C[C@H](C#N)C[*:1] CCN(C/C=C/c1ccco1)[*:1]
CCN(C/C=C/c1ccco1)C[C@H](C)C#N c1coc(c1)[*:1] CCN(CC=C[*:1])C[C@H](C)C#N
CCN(C/C=C/c1ccco1)C[C@H](C)C#N C[C@H](C#N)[*:1] CCN(C/C=C/c1ccco1)C[*:1]
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(F)cc3)S2)cc1 COc1ccc(cc1)[*:1] O=C1N/C(=N\N=C\c2cn(nc2[*:1])-c2ccccc2)S[C@@H]1Cc1ccc(F)cc1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(F)cc3)S2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1/C=N/N=C1\NC(=O)[C@@H](C[*:1])S1)-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(F)cc3)S2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1nn(cc1/C=N/N=C1\NC(=O)[C@@H](S1)[*:1])-c1ccccc1
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(F)cc3)S2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)-c1nn(cc1/C=N/N=C1\NC(=O)[C@@H](Cc2ccc(F)cc2)S1)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)Cc1ccc(F)cc1 NC(=O)N[*:1] CC[C@H](C)[C@H](C(=O)NNC(=O)Cc1ccc(F)cc1)[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)C[*:1]
CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)Cc1ccc(F)cc1 CC[C@H](C)[*:1] NC(=O)N[C@H](C(=O)NNC(=O)Cc1ccc(F)cc1)[*:1]
CCCNC(=O)c1nn(-c2ccc(F)cc2)c(OCC)cc1=O CCCNC(=O)[*:1] CCOc1cc(=O)c(nn1-c1ccc(F)cc1)[*:1]
CCCNC(=O)c1nn(-c2ccc(F)cc2)c(OCC)cc1=O Fc1ccc(cc1)[*:1] CCCNC(=O)c1nn(c(cc1=O)OCC)[*:1]
CCCNC(=O)c1nn(-c2ccc(F)cc2)c(OCC)cc1=O CCO[*:1] CCCNC(=O)c1nn(-c2ccc(F)cc2)c(cc1=O)[*:1]
CCCNC(=O)c1nn(-c2ccc(F)cc2)c(OCC)cc1=O CCC[*:1] CCOc1cc(=O)c(nn1-c1ccc(F)cc1)C(=O)N[*:1]
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1nc[nH]n1 O=[N+]([O-])[*:1] O=C(Nc1cc(ccc1Cl)[*:1])c1nc[nH]n1
Cc1csc2nc(Cn3cnc4scc(-c5ccc(Cl)cc5)c4c3=O)cc(=O)n12 Clc1ccc(cc1)[*:1] Cc1csc2nc(cc(=O)n12)Cn1cnc2scc(c2c1=O)[*:1]
CC(C)(CNC(=O)c1sc2ccccc2c1N)S(C)(=O)=O CS(=O)(=O)[*:1] CC(C)(CNC(=O)c1sc2ccccc2c1N)[*:1]
CC(C)(CNC(=O)c1sc2ccccc2c1N)S(C)(=O)=O CC(C)(S(C)(=O)=O)[*:1] Nc1c(sc2ccccc12)C(=O)NC[*:1]
C[C@H]1CN(C2CCN(C(=O)C(=O)Nc3ccc(Cl)nc3)CC2)CCO1 Clc1ccc(cn1)[*:1] C[C@H]1CN(CCO1)C1CCN(CC1)C(=O)C(=O)N[*:1]
C[C@H]1CN(C2CCN(C(=O)C(=O)Nc3ccc(Cl)nc3)CC2)CCO1 C[C@H]1CN(CCO1)[*:1] O=C(Nc1ccc(Cl)nc1)C(=O)N1CCC(CC1)[*:1]
CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(CC)Cc1ccccn1 Cn1cc(cn1)[*:1] CC[C@H]([NH3+])[C@H](N(CC)Cc1ccccn1)[*:1]
CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(CC)Cc1ccccn1 c1ccc(nc1)[*:1] CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(CC)C[*:1]
CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(CC)Cc1ccccn1 c1ccc(C[*:1])nc1 CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(CC)[*:1]
Cc1c(Cl)ccc2c1N(C(=O)CCc1cnn(C)c1)CCC2 Cn1cc(cn1)[*:1] Cc1c(Cl)ccc2CCCN(C(=O)CC[*:1])c21
Cc1c(Cl)ccc2c1N(C(=O)CCc1cnn(C)c1)CCC2 Cn1cc(cn1)C[*:1] Cc1c(Cl)ccc2CCCN(C(=O)C[*:1])c21
CN1C(=O)Cc2cc(-c3csc(CC(=O)NCc4ccccc4)n3)ccc21 c1ccc(cc1)[*:1] CN1C(=O)Cc2cc(ccc21)-c1csc(CC(=O)NC[*:1])n1
CN1C(=O)Cc2cc(-c3csc(CC(=O)NCc4ccccc4)n3)ccc21 c1ccc(cc1)C[*:1] CN1C(=O)Cc2cc(ccc21)-c1csc(CC(=O)N[*:1])n1
O=C(NCCCn1ccnc1)c1cccs1 c1csc(c1)[*:1] O=C(NCCCn1ccnc1)[*:1]
O=C(NCCCn1ccnc1)c1cccs1 c1cn(cn1)[*:1] O=C(NCCC[*:1])c1cccs1
CCCCNC(=O)NCc1cccc(OC(F)F)c1 FC(F)[*:1] CCCCNC(=O)NCc1cccc(c1)O[*:1]
CCCCNC(=O)NCc1cccc(OC(F)F)c1 CCCC[*:1] O=C(NCc1cccc(c1)OC(F)F)N[*:1]
CCCCNC(=O)NCc1cccc(OC(F)F)c1 FC(F)O[*:1] CCCCNC(=O)NCc1cccc(c1)[*:1]
CCCCNC(=O)NCc1cccc(OC(F)F)c1 CCC[*:1] O=C(NCc1cccc(c1)OC(F)F)NC[*:1]
COc1cccc(-c2noc(NC[C@H](O)c3ccccc3Cl)n2)c1 COc1cccc(c1)[*:1] O[C@@H](CNc1nc(no1)[*:1])c1ccccc1Cl
COc1cccc(-c2noc(NC[C@H](O)c3ccccc3Cl)n2)c1 Clc1ccccc1[*:1] COc1cccc(c1)-c1noc(n1)NC[C@H](O)[*:1]
CCC[C@H](C)[NH2+]Cc1cccc(NC(=O)N(C)C)c1 CN(C)C(=O)N[*:1] CCC[C@H](C)[NH2+]Cc1cccc(c1)[*:1]
CCC[C@H](C)[NH2+]Cc1cccc(NC(=O)N(C)C)c1 CCC[*:1] C[C@H]([NH2+]Cc1cccc(c1)NC(=O)N(C)C)[*:1]
CCOC(=O)NC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)[nH]1 CCOC(=O)NC(=O)[*:1] O=c1[nH]c(nc2scc(-c3cccs3)c12)SC[*:1]
CCOC(=O)NC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)[nH]1 c1csc(c1)[*:1] CCOC(=O)NC(=O)CSc1nc2scc(c2c(=O)[nH]1)[*:1]
CN(C)C(=O)COc1ccccc1C[NH+]1CCC(NC(N)=O)CC1 CN(C)C(=O)CO[*:1] NC(=O)NC1CC[NH+](CC1)Cc1ccccc1[*:1]
CN(C)C(=O)COc1ccccc1C[NH+]1CCC(NC(N)=O)CC1 NC(=O)N[*:1] CN(C)C(=O)COc1ccccc1C[NH+]1CCC(CC1)[*:1]
CN(C)C(=O)COc1ccccc1C[NH+]1CCC(NC(N)=O)CC1 CN(C)C(=O)C[*:1] NC(=O)NC1CC[NH+](CC1)Cc1ccccc1O[*:1]
CN(C)C(=O)COc1ccccc1C[NH+]1CCC(NC(N)=O)CC1 CN(C)C(=O)[*:1] NC(=O)NC1CC[NH+](CC1)Cc1ccccc1OC[*:1]
C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCC(C(=O)c2ccccc2)CC1 O=C(c1ccccc1)[*:1] C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCC(CC1)[*:1]
C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCC(C(=O)c2ccccc2)CC1 c1ccc2c(cccc2c1)[*:1] C[C@@H](NC(=O)C[*:1])C(=O)N1CCC(CC1)C(=O)c1ccccc1
C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCC(C(=O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCC(CC1)C(=O)[*:1]
C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] C=CC[*:1] O=C(N[C@@H](C(=O)[O-])[*:1])OCc1ccccc1
C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] c1ccc(cc1)[*:1] C=CC[C@@H](NC(=O)OC[*:1])C(=O)[O-]
C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] O=C([O-])[*:1] C=CC[C@@H](NC(=O)OCc1ccccc1)[*:1]
COc1ccc(NC(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1 O=C(c1ccccc1)[*:1] COc1ccc(NC(=O)Nc2ccccc2[*:1])c(C)c1
COc1ccc(NC(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1 COc1ccc(c(C)c1)[*:1] O=C(Nc1ccccc1C(=O)c1ccccc1)N[*:1]
COc1ccc(NC(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1 c1ccc(cc1)[*:1] COc1ccc(NC(=O)Nc2ccccc2C(=O)[*:1])c(C)c1
CCCN(CCO)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 CCC[*:1] O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)N(CCO)[*:1]
CCCN(CCO)C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 OCC[*:1] CCCN(C(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1)[*:1]
Cc1ccc2oc(C(=O)N(Cc3ccco3)Cc3sccc3C)cc(=O)c2c1 c1coc(c1)C[*:1] Cc1ccc2oc(cc(=O)c2c1)C(=O)N(Cc1sccc1C)[*:1]
Cc1ccc2oc(C(=O)N(Cc3ccco3)Cc3sccc3C)cc(=O)c2c1 Cc1ccsc1C[*:1] Cc1ccc2oc(cc(=O)c2c1)C(=O)N(Cc1ccco1)[*:1]
Cc1ccc2oc(C(=O)N(Cc3ccco3)Cc3sccc3C)cc(=O)c2c1 Cc1ccsc1[*:1] Cc1ccc2oc(cc(=O)c2c1)C(=O)N(Cc1ccco1)C[*:1]
Cc1ccc2oc(C(=O)N(Cc3ccco3)Cc3sccc3C)cc(=O)c2c1 c1coc(c1)[*:1] Cc1ccc2oc(cc(=O)c2c1)C(=O)N(Cc1sccc1C)C[*:1]
CCn1c(CN2CCc3ccc([N+](=O)[O-])cc3C2)nc2ccccc21 O=[N+]([O-])[*:1] CCn1c(CN2CCc3ccc(cc3C2)[*:1])nc2ccccc21
Cc1ccc(SC2(C(=O)NCC3CC[NH+](C)CC3)CCCC2)cc1 Cc1ccc(cc1)S[*:1] C[NH+]1CCC(CC1)CNC(=O)C1(CCCC1)[*:1]
Cc1ccc(SC2(C(=O)NCC3CC[NH+](C)CC3)CCCC2)cc1 Cc1ccc(cc1)[*:1] C[NH+]1CCC(CC1)CNC(=O)C1(CCCC1)S[*:1]
CCc1cc(=O)n2nc([C@@H]3CCN(Cc4cccc(C)c4OC)C3)cc2[nH]1 COc1c(C)cccc1[*:1] CCc1cc(=O)n2nc(cc2[nH]1)[C@@H]1CCN(C1)C[*:1]
C[NH2+][C@]1(C(N)=O)CC[C@H](Sc2ncnc3ccccc23)C1 NC(=O)[*:1] C[NH2+][C@@]1(CC[C@@H](C1)Sc1ncnc2ccccc12)[*:1]
Cc1ccc(C)c(NC(=O)COC(=O)c2nccc3ccccc23)c1 Cc1ccc(C)c(c1)[*:1] O=C(COC(=O)c1nccc2ccccc12)N[*:1]
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1CC(c2ccc([N+](=O)[O-])cc2)=Nc2nnnn21 Fc1ccc(cc1)[*:1] Cc1nn(C[*:1])c(Cl)c1[C@H]1CC(=Nc2nnnn21)c1ccc(cc1)[N+](=O)[O-]
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1CC(c2ccc([N+](=O)[O-])cc2)=Nc2nnnn21 Fc1ccc(cc1)C[*:1] Cc1nn(c(Cl)c1[C@H]1CC(=Nc2nnnn21)c1ccc(cc1)[N+](=O)[O-])[*:1]
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1CC(c2ccc([N+](=O)[O-])cc2)=Nc2nnnn21 O=[N+]([O-])c1ccc(cc1)[*:1] Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1CC(=Nc2nnnn21)[*:1]
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1CC(c2ccc([N+](=O)[O-])cc2)=Nc2nnnn21 O=[N+]([O-])[*:1] Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1CC(=Nc2nnnn21)c1ccc(cc1)[*:1]
O=C(O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)cc1Cl O=[N+]([O-])c1ccc(cc1)[*:1] O=C(O/N=C(/c1ccncc1)[*:1])c1cc(F)c(F)cc1Cl
O=C(O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)cc1Cl O=[N+]([O-])[*:1] O=C(O/N=C(/c1ccncc1)c1ccc(cc1)[*:1])c1cc(F)c(F)cc1Cl
O=C(O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)cc1Cl Fc1cc(Cl)c(cc1F)[*:1] O=C(O/N=C(/c1ccncc1)c1ccc(cc1)[N+](=O)[O-])[*:1]
O=C(O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)cc1Cl c1cc(ccn1)[*:1] O=C(ON=C(c1ccc(cc1)[N+](=O)[O-])[*:1])c1cc(F)c(F)cc1Cl
C[C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)C1=c2ccccc2=[NH+][C@@H]1C O=C1CCCN1[*:1] C[C@H](OC(=O)c1ccc(cc1)[*:1])C(=O)C1=c2ccccc2=[NH+][C@@H]1C
COCC1CC[NH+](Cc2cc3cc(C)c(C)cc3o2)CC1 COC[*:1] Cc1cc2cc(C[NH+]3CCC(CC3)[*:1])oc2cc1C
COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)N2CCCCC2)cc1 COc1ccc(cc1)[*:1] O=C(/C(=C/c1ccc2OCOc2c1)NC(=O)[*:1])N1CCCCC1
COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)N2CCCCC2)cc1 c1cc2OCOc2cc1[*:1] COc1ccc(cc1)C(=O)NC(=C[*:1])C(=O)N1CCCCC1
COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)N2CCCCC2)cc1 O=C(N1CCCCC1)[*:1] COc1ccc(cc1)C(=O)N/C(=C\c1ccc2OCOc2c1)[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C Clc1cccc(c1)C[*:1] CCN(C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C CC(C)(C)[*:1] CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCCN1C(=O)O[*:1]
CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C Clc1cccc(c1)[*:1] CCN(C[*:1])C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
CC(C)(CN1CCCCCCC1=O)C(=O)NN NNC(=O)[*:1] CC(C)(CN1CCCCCCC1=O)[*:1]
Cc1nnc2ccc(N3CC[C@H](C)C[C@@H]3c3ccco3)nn12 c1coc(c1)[*:1] Cc1nnc2ccc(nn12)N1CC[C@H](C)C[C@H]1[*:1]
O=C1[C@@H](Nc2cnn(Cc3ccccc3)c(=O)c2Cl)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCN1c1ccccc1)Nc1cnn(C[*:1])c(=O)c1Cl
O=C1[C@@H](Nc2cnn(Cc3ccccc3)c(=O)c2Cl)CCN1c1ccccc1 c1ccc(cc1)[*:1] O=C1[C@H](CCN1[*:1])Nc1cnn(Cc2ccccc2)c(=O)c1Cl
O=C1[C@@H](Nc2cnn(Cc3ccccc3)c(=O)c2Cl)CCN1c1ccccc1 c1ccc(cc1)C[*:1] O=C1[C@H](CCN1c1ccccc1)Nc1cnn(c(=O)c1Cl)[*:1]
COc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1OC Fc1ccc(cc1)[*:1] COc1ccc(cc1OC)[C@@H](C)[NH2+][C@H](C(N)=O)[*:1]
COc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1OC NC(=O)[*:1] COc1ccc(cc1OC)[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)[*:1]
O=C(NC[C@@H](O)COc1cccc(F)c1)N[C@H]1CCCCNC1=O Fc1cccc(c1)O[*:1] O=C(NC[C@@H](O)C[*:1])N[C@H]1CCCCNC1=O
O=C(NC[C@@H](O)COc1cccc(F)c1)N[C@H]1CCCCNC1=O Fc1cccc(c1)[*:1] O=C(NC[C@@H](O)CO[*:1])N[C@H]1CCCCNC1=O
O=C(NC[C@@H](O)COc1cccc(F)c1)N[C@H]1CCCCNC1=O O=C1NCCCC[C@@H]1[*:1] O=C(NC[C@@H](O)COc1cccc(F)c1)N[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1cnc2nc([O-])[nH]c(=O)c2c1 c1ccc(cc1)[*:1] C[C@H](N(C)C(=O)c1cnc2nc([O-])[nH]c(=O)c2c1)[*:1]
C[C@H](c1ccccc1)N(C)C(=O)c1cnc2nc([O-])[nH]c(=O)c2c1 C[C@H](c1ccccc1)[*:1] CN(C(=O)c1cnc2nc([O-])[nH]c(=O)c2c1)[*:1]
C[C@@](CO)(NC(=O)Nc1cc(F)ccc1F)C1CC1 C1CC1[*:1] C[C@@](CO)(NC(=O)Nc1cc(F)ccc1F)[*:1]
Cn1cc[nH+]c1CNc1ccccc1C(=O)C1CCCC1 C1CCC(C1)[*:1] Cn1cc[nH+]c1CNc1ccccc1C(=O)[*:1]
Cn1cc[nH+]c1CNc1ccccc1C(=O)C1CCCC1 O=C(C1CCCC1)[*:1] Cn1cc[nH+]c1CNc1ccccc1[*:1]
COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 c1csc(c1)[*:1] COc1ccc(cc1NC(=O)c1cc(nc2ccccc12)[*:1])NC(C)=O
COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 CC(=O)N[*:1] COc1ccc(cc1NC(=O)c1cc(nc2ccccc12)-c1cccs1)[*:1]
Cn1cc([C@H](CNC(=O)N[C@H]2CCCc3ccc(F)cc32)[NH+](C)C)cn1 Cn1cc(cn1)[*:1] C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCCc2ccc(F)cc21)[*:1]
C=C[C@@H](CC(=O)Nc1ccccc1-n1cnnn1)c1ccccc1 c1nnnn1[*:1] C=C[C@@H](CC(=O)Nc1ccccc1[*:1])c1ccccc1
C=C[C@@H](CC(=O)Nc1ccccc1-n1cnnn1)c1ccccc1 c1ccc(cc1)[*:1] C=C[C@@H](CC(=O)Nc1ccccc1-n1cnnn1)[*:1]
Cn1cc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)CNC(=O)C(=O)Nc1cc(Cl)ccc1O[*:1]
Cn1cc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cn1 Cn1cc(cn1)C[*:1] O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C(=O)N[*:1]
Cn1cc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cn1 c1ccc(cc1)O[*:1] Cn1cc(cn1)CNC(=O)C(=O)Nc1cc(Cl)ccc1[*:1]
Cn1cc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cn1 Cn1cc(cn1)[*:1] O=C(NC[*:1])C(=O)Nc1cc(Cl)ccc1Oc1ccccc1
CCNC(=O)NC(=O)C[NH+](C)CCOc1ccccc1 c1ccc(cc1)[*:1] CCNC(=O)NC(=O)C[NH+](C)CCO[*:1]
CCCCN(C)S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nc(-c2cccnc2)no1 CCCC[*:1] CN(S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nc(no1)-c1cccnc1)[*:1]
CCCCN(C)S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nc(-c2cccnc2)no1 c1cncc(c1)[*:1] CCCCN(C)S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nc(no1)[*:1]
CCCCN(C)S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nc(-c2cccnc2)no1 CCC[*:1] CN(C[*:1])S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nc(no1)-c1cccnc1
Cc1ccc(C(F)(F)F)cc1-n1c(C)n[nH]c1=S FC(F)(F)[*:1] Cc1ccc(cc1-n1c(C)n[nH]c1=S)[*:1]
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1ccccc1F Fc1ccccc1[*:1] O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1[*:1]
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1ccccc1F C(=C[*:1])c1ccco1 O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccccc2F)N1CC[NH+]1CCCC1
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1ccccc1F O=C(/C=C/c1ccco1)[*:1] O=C1C([O-])=C([C@H](c2ccccc2F)N1CC[NH+]1CCCC1)[*:1]
O=C(/C=C/c1ccco1)C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1ccccc1F c1coc(c1)[*:1] O=C(C=C[*:1])C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1ccccc1F
CN(CCC#N)c1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 N#CC[*:1] CN(C[*:1])c1nc(nc2sc3CCCCc3c12)-c1cccnc1
CN(CCC#N)c1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 CN(CCC#N)[*:1] c1cncc(c1)-c1nc(c2c3CCCCc3sc2n1)[*:1]
CN(CCC#N)c1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 c1cncc(c1)[*:1] CN(CCC#N)c1nc(nc2sc3CCCCc3c12)[*:1]
CN(CCC#N)c1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 N#CCC[*:1] CN(c1nc(nc2sc3CCCCc3c12)-c1cccnc1)[*:1]
CN(Cc1ccccc1F)C(=O)C[NH+]1CCCN(CC(F)F)CC1 FC(F)C[*:1] CN(Cc1ccccc1F)C(=O)C[NH+]1CCCN(CC1)[*:1]
CN(Cc1ccccc1F)C(=O)C[NH+]1CCCN(CC(F)F)CC1 FC(F)[*:1] CN(Cc1ccccc1F)C(=O)C[NH+]1CCCN(CC1)C[*:1]
CN(Cc1ccccc1F)C(=O)C[NH+]1CCCN(CC(F)F)CC1 Fc1ccccc1[*:1] CN(C[*:1])C(=O)C[NH+]1CCCN(CC1)CC(F)F
CN(Cc1ccccc1F)C(=O)C[NH+]1CCCN(CC(F)F)CC1 Fc1ccccc1C[*:1] CN(C(=O)C[NH+]1CCCN(CC1)CC(F)F)[*:1]
CNC(=O)Cc1ccc(NC(=O)N[C@@H](C)c2nnc3ccccn23)cc1 CNC(=O)[*:1] C[C@H](NC(=O)Nc1ccc(cc1)C[*:1])c1nnc2ccccn12
CNC(=O)Cc1ccc(NC(=O)N[C@@H](C)c2nnc3ccccn23)cc1 CNC(=O)C[*:1] C[C@H](NC(=O)Nc1ccc(cc1)[*:1])c1nnc2ccccn12
COc1ccccc1N1C[C@@H](C(=O)N2CCCc3cc(C)ccc32)CC1=O COc1ccccc1[*:1] Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CC(=O)N(C1)[*:1]
O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)NC1CCCCC1 Oc1ccc(Br)cc1[*:1] O=C(CSc1nc(n[nH]1)[*:1])NC1CCCCC1
O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)NC1CCCCC1 C1CCC(CC1)[*:1] O=C(CSc1nc(n[nH]1)-c1cc(Br)ccc1O)N[*:1]
O=C(NCc1ccc(Cl)nc1)c1c[nH]nc1-c1ccccc1 c1ccc(cc1)[*:1] O=C(NCc1ccc(Cl)nc1)c1c[nH]nc1[*:1]
O=C(NCc1ccc(Cl)nc1)c1c[nH]nc1-c1ccccc1 Clc1ccc(cn1)[*:1] O=C(NC[*:1])c1c[nH]nc1-c1ccccc1
O=C1CCC(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)=NN1 C1CC1[*:1] O=C1CCC(=NN1)C(=O)N1CCN(C[*:1])[C@@H]2CS(=O)(=O)C[C@@H]21
O=C1CCC(C(=O)N2CCN(CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)=NN1 C1CC1C[*:1] O=C1CCC(=NN1)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]21)[*:1]
CCCCCCN1C(=S)NC(=O)[C@@H]([C@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@@H]1O CCCCC[*:1] O=C1NC(=S)N(C[*:1])[C@@H](O)[C@@H]1[C@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
CCCCCCN1C(=S)NC(=O)[C@@H]([C@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@@H]1O CCC[*:1] O=C1NC(=S)N(CCC[*:1])[C@@H](O)[C@@H]1[C@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
CCCCCCN1C(=S)NC(=O)[C@@H]([C@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@@H]1O CCCC[*:1] O=C1NC(=S)N(CC[*:1])[C@@H](O)[C@@H]1[C@H]1NCCC2=c3ccccc3=[NH+][C@@H]21
CCCCCCN1C(=S)NC(=O)[C@@H]([C@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@@H]1O CCCCCC[*:1] O=C1NC(=S)N([C@@H](O)[C@@H]1[C@H]1NCCC2=c3ccccc3=[NH+][C@@H]21)[*:1]
Cc1cc(C)n2nc(C)c(C(=O)N[C@@H](C)Cc3cccs3)c2n1 c1csc(c1)C[*:1] Cc1cc(C)n2nc(C)c(C(=O)N[C@@H](C)[*:1])c2n1
Cc1cc(C)n2nc(C)c(C(=O)N[C@@H](C)Cc3cccs3)c2n1 c1csc(c1)[*:1] Cc1cc(C)n2nc(C)c(C(=O)N[C@@H](C)C[*:1])c2n1
Cc1ncsc1CN1CCO[C@H](c2cccc(O)c2)C1 Cc1ncsc1[*:1] Oc1cccc(c1)[C@@H]1CN(CCO1)C[*:1]
C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 Clc1cccc(c1)[*:1] C[C@@H](O[*:1])C(=O)N[C@@H]1CCSc2ccc(F)cc21
C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 Clc1cccc(c1)O[*:1] C[C@@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)[*:1]
CCO[C@@H](CCNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)C(C)C CCO[*:1] CC(C)[C@H](CCNC(=O)N1CCO[C@@H](C1)c1ccc(F)c(F)c1)[*:1]
CCO[C@@H](CCNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)C(C)C Fc1ccc(cc1F)[*:1] CCO[C@@H](CCNC(=O)N1CCO[C@H](C1)[*:1])C(C)C
CCO[C@@H](CCNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)C(C)C CC(C)[*:1] CCO[C@@H](CCNC(=O)N1CCO[C@@H](C1)c1ccc(F)c(F)c1)[*:1]
NC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O NC(=O)[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1sccc1[*:1]
NC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O NC(=O)c1ccsc1[*:1] O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N[*:1]
O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3ccsc3)C2)c1)N1CCCC1 O=C(N1CCCC1)[*:1] O=C(c1ccsc1)N1CCC[C@H](COc2cccc(c2)[*:1])C1
O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3ccsc3)C2)c1)N1CCCC1 c1cc(cs1)[*:1] O=C(c1cccc(c1)OC[C@H]1CCCN(C1)C(=O)[*:1])N1CCCC1
COc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 OCc1ccc(o1)[*:1] COc1cccc(c1)C(=O)NC(=S)Nc1cc(ccc1Cl)[*:1]
COc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 COc1cccc(c1)[*:1] O=C(NC(=S)Nc1cc(ccc1Cl)-c1ccc(CO)o1)[*:1]
Cc1cc(N2CCC(C(=O)NCc3ccccc3Cl)CC2)n2nc(-c3ccc(F)cc3)cc2n1 Clc1ccccc1[*:1] Cc1cc(N2CCC(CC2)C(=O)NC[*:1])n2nc(cc2n1)-c1ccc(F)cc1
Cc1cc(N2CCC(C(=O)NCc3ccccc3Cl)CC2)n2nc(-c3ccc(F)cc3)cc2n1 Fc1ccc(cc1)[*:1] Cc1cc(N2CCC(CC2)C(=O)NCc2ccccc2Cl)n2nc(cc2n1)[*:1]
Cc1cc(N2CCC(C(=O)NCc3ccccc3Cl)CC2)n2nc(-c3ccc(F)cc3)cc2n1 Clc1ccccc1C[*:1] Cc1cc(N2CCC(CC2)C(=O)N[*:1])n2nc(cc2n1)-c1ccc(F)cc1
Cc1cc(N2CCC(C(=O)NCc3ccccc3Cl)CC2)n2nc(-c3ccc(F)cc3)cc2n1 O=C(NCc1ccccc1Cl)[*:1] Cc1cc(N2CCC(CC2)[*:1])n2nc(cc2n1)-c1ccc(F)cc1
Cc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccccc2F)nc1 Fc1ccccc1[*:1] Cc1ccc(nc1)N1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1[*:1]
Cc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccccc2F)nc1 Cc1ccc(nc1)[*:1] O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2F)N1[*:1]
CCCCCNC(=O)C[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n21 CCC[*:1] CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCC[*:1]
CCCCCNC(=O)C[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n21 CCCCC[*:1] CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N[*:1]
CCCCCNC(=O)C[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n21 CCCC[*:1] CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NC[*:1]
CCCCCNC(=O)C[C@@H]1CSc2nc(C(C)(C)C)cc(=O)n21 CC(C)(C)[*:1] CCCCCNC(=O)C[C@@H]1CSc2nc(cc(=O)n21)[*:1]
Cn1cc(NC(=O)c2cc(NC(=O)c3ccccc3)n(C)n2)cn1 Cn1cc(cn1)[*:1] Cn1nc(cc1NC(=O)c1ccccc1)C(=O)N[*:1]
Cn1cc(NC(=O)c2cc(NC(=O)c3ccccc3)n(C)n2)cn1 c1ccc(cc1)[*:1] Cn1cc(cn1)NC(=O)c1cc(NC(=O)[*:1])n(C)n1
CC1=C(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)[C@@H](C)NC(=O)N1 c1cncc(c1)[*:1] CC1NC(=O)N[C@H](C)C=1C(=O)NCCc1nc(n[nH]1)[*:1]
CS(=O)(=O)Cc1nc(CN2CCCN(CC(F)F)CC2)cs1 CS(=O)(=O)C[*:1] FC(F)CN1CCCN(CC1)Cc1csc(n1)[*:1]
CS(=O)(=O)Cc1nc(CN2CCCN(CC(F)F)CC2)cs1 FC(F)[*:1] CS(=O)(=O)Cc1nc(cs1)CN1CCCN(CC1)C[*:1]
CS(=O)(=O)Cc1nc(CN2CCCN(CC(F)F)CC2)cs1 FC(F)C[*:1] CS(=O)(=O)Cc1nc(cs1)CN1CCCN(CC1)[*:1]
CS(=O)(=O)Cc1nc(CN2CCCN(CC(F)F)CC2)cs1 CS(=O)(=O)[*:1] FC(F)CN1CCCN(CC1)Cc1csc(C[*:1])n1
COC(=O)N[C@@H](C(=O)NC[C@@](C)(O)c1ccsc1)C(C)C c1cc(cs1)[*:1] COC(=O)N[C@@H](C(=O)NC[C@@](C)(O)[*:1])C(C)C
COC(=O)N[C@@H](C(=O)NC[C@@](C)(O)c1ccsc1)C(C)C COC(=O)N[*:1] CC(C)[C@H](C(=O)NC[C@@](C)(O)c1ccsc1)[*:1]
COC(=O)N[C@@H](C(=O)NC[C@@](C)(O)c1ccsc1)C(C)C CC(C)[*:1] COC(=O)N[C@@H](C(=O)NC[C@@](C)(O)c1ccsc1)[*:1]
C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1cccc(C)c1 C#CCO[*:1] Cc1cccc(c1)C(=O)N/N=C\c1cc(Br)ccc1[*:1]
C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1cccc(C)c1 Cc1cccc(c1)[*:1] C#CCOc1ccc(Br)cc1/C=N\NC(=O)[*:1]
C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1cccc(C)c1 C#CC[*:1] Cc1cccc(c1)C(=O)N/N=C\c1cc(Br)ccc1O[*:1]
Cc1ccsc1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 Cc1ccsc1C(=O)N[*:1] c1ccc(-c2ccc(cc2)C[NH+]2CCCC2)c(c1)C[*:1]
Cc1ccsc1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 Cc1ccsc1[*:1] O=C(NCc1ccccc1-c1ccc(cc1)C[NH+]1CCCC1)[*:1]
C/C=C/C[NH+](CC1CC[NH2+]CC1)C1CC1 C/C=C/C[*:1] C1CC(CC[NH2+]1)C[NH+](C1CC1)[*:1]
C/C=C/C[NH+](CC1CC[NH2+]CC1)C1CC1 CC=C[*:1] C1CC(CC[NH2+]1)C[NH+](C[*:1])C1CC1
C/C=C/C[NH+](CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] C/C=C/C[NH+](CC1CC[NH2+]CC1)[*:1]
O=C(C[n+]1cc(O)on1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 Fc1ccc(cc1F)[*:1] O=C(C[n+]1cc(O)on1)N1CCC[C@H](CC[*:1])C1
CCOC(=O)C[C@@H](C)CNC(=O)N[C@H]1c2ccccc2C[C@@H]1O CCOC(=O)C[*:1] C[C@@H](CNC(=O)N[C@H]1c2ccccc2C[C@@H]1O)[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)N[C@H]1c2ccccc2C[C@@H]1O CCOC(=O)[*:1] C[C@@H](CNC(=O)N[C@H]1c2ccccc2C[C@@H]1O)C[*:1]
COc1ccc(CNC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 C1CCC(C1)[*:1] COc1ccc(cc1)CNC(=O)N[C@@H](c1ccc(F)cc1)[*:1]
COc1ccc(CNC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)CNC(=O)N[C@@H](C1CCCC1)[*:1]
COc1ccc(CNC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 COc1ccc(cc1)[*:1] O=C(NC[*:1])N[C@@H](c1ccc(F)cc1)C1CCCC1
COC[C@H](C)NC(=O)CSC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1 COC[C@H](C)NC(=O)[*:1] O=C1N=C(N=C2S[C@@H]3CCCCC3=C12)SC[*:1]
COC[C@H](C)NC(=O)CSC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1 COC[*:1] C[C@H](NC(=O)CSC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21)[*:1]
COC[C@H](C)NC(=O)CSC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1 COC[C@H](C)[*:1] O=C(CSC1=NC(=O)C2C(=N1)S[C@@H]1CCCCC=21)N[*:1]
O=C(Nc1cccc(N2CCCCC2)c1)C(=O)N1C[C@H]2CC=CC[C@@H]2C1 C1CCN(CC1)[*:1] O=C(Nc1cccc(c1)[*:1])C(=O)N1C[C@H]2CC=CC[C@@H]2C1
O=C(Cn1ccc2ncccc2c1=O)N[C@@H](C(=O)NCc1ccco1)c1ccccc1 c1coc(c1)C[*:1] O=C(Cn1ccc2ncccc2c1=O)N[C@@H](C(=O)N[*:1])c1ccccc1
O=C(Cn1ccc2ncccc2c1=O)N[C@@H](C(=O)NCc1ccco1)c1ccccc1 O=C(NCc1ccco1)[*:1] O=C(Cn1ccc2ncccc2c1=O)N[C@@H](c1ccccc1)[*:1]
O=C(Cn1ccc2ncccc2c1=O)N[C@@H](C(=O)NCc1ccco1)c1ccccc1 c1coc(c1)[*:1] O=C(Cn1ccc2ncccc2c1=O)N[C@@H](C(=O)NC[*:1])c1ccccc1
O=C(Cn1ccc2ncccc2c1=O)N[C@@H](C(=O)NCc1ccco1)c1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1ccc2ncccc2c1=O)N[C@@H](C(=O)NCc1ccco1)[*:1]
O=C(COc1ccc(Cl)c2ccccc12)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] O=C([O-])[*:1] O=C(COc1ccc(Cl)c2ccccc12)N[C@@H](Cc1c[nH]c2ccccc12)[*:1]
O=C(COc1ccc(Cl)c2ccccc12)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] c1ccc2c(c[nH]c2c1)[*:1] O=C(COc1ccc(Cl)c2ccccc12)N[C@@H](C[*:1])C(=O)[O-]
O=C(COc1ccc(Cl)c2ccccc12)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] c1ccc2c(c[nH]c2c1)C[*:1] O=C(COc1ccc(Cl)c2ccccc12)N[C@@H](C(=O)[O-])[*:1]
CC(C)[C@@H]1Nc2ccc(Br)cc2NC1=O CC(C)[*:1] O=C1Nc2cc(Br)ccc2N[C@H]1[*:1]
CCCOc1cccc(NC(=O)NC[C@H](O)CO)c1 CCC[*:1] O=C(NC[C@H](O)CO)Nc1cccc(c1)O[*:1]
CCCOc1cccc(NC(=O)NC[C@H](O)CO)c1 CCCO[*:1] O=C(NC[C@H](O)CO)Nc1cccc(c1)[*:1]
CCCOc1cccc(NC(=O)NC[C@H](O)CO)c1 OC[C@@H](O)[*:1] CCCOc1cccc(c1)NC(=O)NC[*:1]
CCCOc1cccc(NC(=O)NC[C@H](O)CO)c1 OC[C@@H](O)C[*:1] CCCOc1cccc(c1)NC(=O)N[*:1]
C/[NH+]=C(/NCc1ncccc1C)N[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C/[NH+]=C(/NCc1ncccc1C)N[C@@H](C)[*:1]
C/[NH+]=C(/NCc1ncccc1C)N[C@@H](C)c1ccccc1 Cc1cccnc1[*:1] C/[NH+]=C(/NC[*:1])N[C@@H](C)c1ccccc1
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)ccc3C)C2)cc1 COc1ccc(cc1)[*:1] Cc1ccc(C)c(c1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)[*:1]
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)ccc3C)C2)cc1 Cc1ccc(C)c(c1)[*:1] COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](C1)C(=O)N[*:1]
COc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c(O)c1 c1n[nH]cc1[*:1] COc1ccc(C(=O)N2CCCC[C@@H]2[*:1])c(O)c1
COc1cccc(Nc2nc(C)c(C(=O)Nc3ccccc3)s2)c1 COc1cccc(c1)[*:1] Cc1nc(N[*:1])sc1C(=O)Nc1ccccc1
COc1cccc(Nc2nc(C)c(C(=O)Nc3ccccc3)s2)c1 c1ccc(cc1)[*:1] COc1cccc(c1)Nc1nc(C)c(s1)C(=O)N[*:1]
C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1 C1CCC(CC1)[*:1] C[C@@H]([NH2+]CCN(C)[*:1])c1ccc2[nH]c(=O)[nH]c2c1
C[NH+](C)C(C)(C)[C@@H](O)CC[C@@H]1CCCO1 C1CO[C@@H](C1)[*:1] C[NH+](C)C(C)(C)[C@@H](O)CC[*:1]
CC(=O)c1ccc(NC(=O)Cn2nc3ccc(Sc4ccccc4)nn3c2=O)cc1 c1ccc(cc1)S[*:1] CC(=O)c1ccc(cc1)NC(=O)Cn1nc2ccc(nn2c1=O)[*:1]
CC(=O)c1ccc(NC(=O)Cn2nc3ccc(Sc4ccccc4)nn3c2=O)cc1 CC(=O)[*:1] O=C(Cn1nc2ccc(nn2c1=O)Sc1ccccc1)Nc1ccc(cc1)[*:1]
CC(=O)c1ccc(NC(=O)Cn2nc3ccc(Sc4ccccc4)nn3c2=O)cc1 c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1)NC(=O)Cn1nc2ccc(nn2c1=O)S[*:1]
CC(=O)c1ccc(NC(=O)Cn2nc3ccc(Sc4ccccc4)nn3c2=O)cc1 CC(=O)c1ccc(cc1)[*:1] O=C(Cn1nc2ccc(nn2c1=O)Sc1ccccc1)N[*:1]
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccn(C)c1=O O=[N+]([O-])[*:1] C[C@@H](Sc1ccc(cc1)[*:1])C(=O)Nc1nccn(C)c1=O
COC(=O)c1ccc(C)c(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c1 COC(=O)[*:1] Cc1ccc(cc1NC(=O)C1C[C@H](C)O[C@@H](C)C1)[*:1]
COC[C@@H]1CCCN1C(=O)Nc1cnccc1C COC[*:1] Cc1ccncc1NC(=O)N1CCC[C@H]1[*:1]
CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(N3CC[NH+](C)CC3)o2)cc1 CN(C)S(=O)(=O)[*:1] C[NH+]1CCN(CC1)c1oc(nc1C#N)-c1ccc(cc1)[*:1]
CN(C)C(=O)c1ccc(N2CCC[C@H]2CCCO)nn1 OCCC[*:1] CN(C)C(=O)c1ccc(nn1)N1CCC[C@@H]1[*:1]
CN(C)C(=O)c1ccc(N2CCC[C@H]2CCCO)nn1 OCC[*:1] CN(C)C(=O)c1ccc(nn1)N1CCC[C@H]1C[*:1]
CN(C)C(=O)c1ccc(N2CCC[C@H]2CCCO)nn1 CN(C)C(=O)[*:1] OCCC[C@@H]1CCCN1c1ccc(nn1)[*:1]
Cc1noc(C)c1CSc1ccc([N+](=O)[O-])c2cccnc12 Cc1noc(C)c1[*:1] O=[N+]([O-])c1ccc(SC[*:1])c2ncccc12
Cc1noc(C)c1CSc1ccc([N+](=O)[O-])c2cccnc12 O=[N+]([O-])[*:1] Cc1noc(C)c1CSc1ccc(c2cccnc12)[*:1]
CCc1csc(CNC(=O)c2ccc(-c3nc[nH]n3)cc2)n1 CCc1csc(n1)[*:1] O=C(NC[*:1])c1ccc(cc1)-c1nc[nH]n1
CCc1csc(CNC(=O)c2ccc(-c3nc[nH]n3)cc2)n1 c1nc(n[nH]1)[*:1] CCc1csc(CNC(=O)c2ccc(cc2)[*:1])n1
CC(C)N1C[C@@H](C(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1=O CC(C)[*:1] O=C([C@H]1CC(=O)N(C1)[*:1])N1CCC[C@H]2CCCC[C@@H]21
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc2ncccc2c1 Clc1ccc(cc1)C[*:1] C[C@@H](N(C)C(=O)c1ccc2ncccc2c1)[*:1]
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc2ncccc2c1 Clc1ccc(cc1)[*:1] C[C@@H](C[*:1])N(C)C(=O)c1ccc2ncccc2c1
CC/C(=C\c1ccc([C@H]2C[C@H]2C)o1)CO C[C@@H]1C[C@@H]1[*:1] CC/C(=C\c1ccc(o1)[*:1])CO
CCCN1CCO[C@H]([C@H]([NH2+]C)c2occc2Br)C1 CCC[*:1] C[NH2+][C@H](c1occc1Br)[C@@H]1CN(CCO1)[*:1]
CCCN1CCO[C@H]([C@H]([NH2+]C)c2occc2Br)C1 Brc1ccoc1[*:1] CCCN1CCO[C@@H](C1)[C@H]([NH2+]C)[*:1]
O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)NCCOc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2cccc(F)c2)n1[*:1])NCCOc1ccccc1
O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)NCCOc1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)NCCO[*:1]
O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)NCCOc1ccccc1 c1ccc(cc1)OC[*:1] O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)NC[*:1]
O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)NCCOc1ccccc1 c1ccc(cc1)O[*:1] O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)NCC[*:1]
O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)NCCOc1ccccc1 Fc1cccc(c1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])NCCOc1ccccc1
O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)NCCOc1ccccc1 c1ccc(cc1)OCC[*:1] O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)N[*:1]
O=C(Cc1ccc(O)cc1)N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1 Oc1ccc(cc1)[*:1] O=C(C[*:1])N1C[C@@H](C[NH+]2CCCC2)[C@@H](CO)C1
Cc1ccc(-c2c(C)nn3c(N4CCN(c5cccc[nH+]5)CC4)cc(C)nc23)cc1 Cc1ccc(cc1)[*:1] Cc1cc(N2CCN(CC2)c2cccc[nH+]2)n2nc(C)c(c2n1)[*:1]
CC(C)(CNC(=O)N[C@@H]1CCC[C@@H]1C(N)=O)c1cccc(Cl)c1 NC(=O)[*:1] CC(C)(CNC(=O)N[C@@H]1CCC[C@H]1[*:1])c1cccc(Cl)c1
CC(C)(CNC(=O)N[C@@H]1CCC[C@@H]1C(N)=O)c1cccc(Cl)c1 Clc1cccc(c1)[*:1] CC(C)(CNC(=O)N[C@@H]1CCC[C@@H]1C(N)=O)[*:1]
Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)C)s1 CC(C)[*:1] Cc1ccc(s1)[C@H](C)[NH2+][C@@H](C)C[*:1]
Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)C)s1 CC(C)C[*:1] Cc1ccc(s1)[C@H](C)[NH2+][C@@H](C)[*:1]
COc1ccc(OC)c(CN(C)C(=O)Nc2ccc(F)cc2F)c1 Fc1ccc(c(F)c1)[*:1] COc1ccc(OC)c(c1)CN(C)C(=O)N[*:1]
COc1cccc(C(=O)N2CCN(C(=O)c3c[nH]c(=O)[nH]c3=O)CC2)c1 COc1cccc(c1)[*:1] O=C(c1c[nH]c(=O)[nH]c1=O)N1CCN(CC1)C(=O)[*:1]
COc1cccc(C(=O)N2CCN(C(=O)c3c[nH]c(=O)[nH]c3=O)CC2)c1 O=c1[nH]cc(c(=O)[nH]1)[*:1] COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1[*:1]
CN1C(=O)[C@]2(CCN(C(=O)CCc3ccccc3)C2)c2ccccc21 c1ccc(cc1)CC[*:1] CN1C(=O)[C@]2(CCN(C2)C(=O)[*:1])c2ccccc21
CN1C(=O)[C@]2(CCN(C(=O)CCc3ccccc3)C2)c2ccccc21 c1ccc(cc1)C[*:1] CN1C(=O)[C@]2(CCN(C2)C(=O)C[*:1])c2ccccc21
CN1C(=O)[C@]2(CCN(C(=O)CCc3ccccc3)C2)c2ccccc21 c1ccc(cc1)[*:1] CN1C(=O)[C@]2(CCN(C2)C(=O)CC[*:1])c2ccccc21
CCn1cnnc1C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 O=[N+]([O-])[*:1] CCn1cnnc1C1CCN(CC1)C(=O)c1cc(c(C)s1)[*:1]
CCn1cnnc1C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 CCn1cnnc1[*:1] Cc1sc(cc1[N+](=O)[O-])C(=O)N1CCC(CC1)[*:1]
CC[C@H](C)Oc1ccc(C[NH2+]C(C)C)cc1 CC(C)[*:1] CC[C@H](C)Oc1ccc(cc1)C[NH2+][*:1]
CC[C@H](C)Oc1ccc(C[NH2+]C(C)C)cc1 CC[C@H](C)[*:1] CC(C)[NH2+]Cc1ccc(cc1)O[*:1]
CC[C@H](C)Oc1ccc(C[NH2+]C(C)C)cc1 CC[C@H](C)O[*:1] CC(C)[NH2+]Cc1ccc(cc1)[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1 CN(C)C(=O)[*:1] CC(=O)c1cccc(c1)O[C@@H](C)C(=O)Nc1cc(ccc1Cl)[*:1]
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1 CC(=O)[*:1] C[C@H](Oc1cccc(c1)[*:1])C(=O)Nc1cc(ccc1Cl)C(=O)N(C)C
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1 CC(=O)c1cccc(c1)[*:1] C[C@H](O[*:1])C(=O)Nc1cc(ccc1Cl)C(=O)N(C)C
O=c1c2ccccc2nc(N/N=C/c2ccc(Cl)o2)n1-c1ccccc1 Clc1ccc(o1)[*:1] O=c1c2ccccc2nc(NN=C[*:1])n1-c1ccccc1
O=c1c2ccccc2nc(N/N=C/c2ccc(Cl)o2)n1-c1ccccc1 c1ccc(cc1)[*:1] O=c1c2ccccc2nc(N/N=C/c2ccc(Cl)o2)n1[*:1]
CC(C)CC[C@@H](C)NC(=O)C1=NN(C)C(=O)CC1 CC(C)C[*:1] C[C@H](C[*:1])NC(=O)C1CCC(=O)N(C)N=1
CC(C)CC[C@@H](C)NC(=O)C1=NN(C)C(=O)CC1 CC(C)CC[*:1] C[C@@H](NC(=O)C1CCC(=O)N(C)N=1)[*:1]
CC(C)CC[C@@H](C)NC(=O)C1=NN(C)C(=O)CC1 CC(C)[*:1] C[C@H](CC[*:1])NC(=O)C1CCC(=O)N(C)N=1
COC(=O)c1cc(NC(=O)c2cccc3c2OCCO3)c(F)cc1F COC(=O)[*:1] O=C(Nc1cc(c(F)cc1F)[*:1])c1cccc2OCCOc21
C[C@@H](C[C@H](O)c1ccco1)NS(=O)(=O)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](C[C@H](O)c1ccco1)NS(=O)(=O)C[*:1]
C[C@@H](C[C@H](O)c1ccco1)NS(=O)(=O)Cc1ccccc1 c1coc(c1)[*:1] C[C@@H](C[C@H](O)[*:1])NS(=O)(=O)Cc1ccccc1
C[C@@H](C[C@H](O)c1ccco1)NS(=O)(=O)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](C[C@H](O)c1ccco1)NS(=O)(=O)[*:1]
C[C@@H](C[C@H](O)c1ccco1)NS(=O)(=O)Cc1ccccc1 O[C@H](c1ccco1)[*:1] C[C@@H](C[*:1])NS(=O)(=O)Cc1ccccc1
O=C(N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(C[NH+]2CCCCC2)cc1 O=C([O-])[*:1] O=C(N[C@H](c1ccccc1F)[*:1])c1ccc(cc1)C[NH+]1CCCCC1
O=C(N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(C[NH+]2CCCCC2)cc1 Fc1ccccc1[*:1] O=C(N[C@H](C(=O)[O-])[*:1])c1ccc(cc1)C[NH+]1CCCCC1
COc1cc(Br)c(CC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1OC c1cn(cn1)[*:1] COc1cc(Br)c(cc1OC)CC(=O)N[C@H](C)c1ccc(cc1)[*:1]
CC(C)CNC(=O)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 FC(F)(F)[*:1] CC(C)CNC(=O)[C@H]1CC(=O)N(Cc2cc(cc(c2)[*:1])C(F)(F)F)C1
CC(C)CNC(=O)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 CC(C)[*:1] O=C(NC[*:1])[C@H]1CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1
CC(C)CNC(=O)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 CC(C)CNC(=O)[*:1] O=C1C[C@@H](CN1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[*:1]
CC(C)CNC(=O)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 CC(C)C[*:1] O=C(N[*:1])[C@H]1CC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1
CN(C(=O)CCCCCc1cccs1)c1cccc(C#N)c1 c1csc(c1)[*:1] CN(C(=O)CCCCC[*:1])c1cccc(C#N)c1
CN(C(=O)CCCCCc1cccs1)c1cccc(C#N)c1 c1csc(c1)C[*:1] CN(C(=O)CCCC[*:1])c1cccc(C#N)c1
CN(C(=O)CCCCCc1cccs1)c1cccc(C#N)c1 c1csc(c1)CC[*:1] CN(C(=O)CCC[*:1])c1cccc(C#N)c1
CCC(C)(C)[C@H]1CC[C@H](C(=O)[O-])[C@H](SC[C@@H](C)CO)C1 C[C@@H](CO)[*:1] CCC(C)(C)[C@H]1CC[C@H](C(=O)[O-])[C@@H](C1)SC[*:1]
CCC(C)(C)[C@H]1CC[C@H](C(=O)[O-])[C@H](SC[C@@H](C)CO)C1 C[C@@H](CO)CS[*:1] CCC(C)(C)[C@H]1CC[C@H](C(=O)[O-])[C@H](C1)[*:1]
CCC(C)(C)[C@H]1CC[C@H](C(=O)[O-])[C@H](SC[C@@H](C)CO)C1 CCC(C)(C)[*:1] C[C@@H](CO)CS[C@@H]1C[C@H](CC[C@@H]1C(=O)[O-])[*:1]
CCC(C)(C)[C@H]1CC[C@H](C(=O)[O-])[C@H](SC[C@@H](C)CO)C1 O=C([O-])[*:1] CCC(C)(C)[C@H]1CC[C@H]([C@@H](C1)SC[C@@H](C)CO)[*:1]
CCC(C)(C)[C@H]1CC[C@H](C(=O)[O-])[C@H](SC[C@@H](C)CO)C1 C[C@@H](CO)C[*:1] CCC(C)(C)[C@H]1CC[C@H](C(=O)[O-])[C@@H](C1)S[*:1]
Cn1cc[nH+]c1-c1ccc(N2CCC[C@H](OCc3cccnc3)C2)nn1 c1cncc(c1)C[*:1] Cn1cc[nH+]c1-c1ccc(nn1)N1CCC[C@@H](C1)O[*:1]
Cn1cc[nH+]c1-c1ccc(N2CCC[C@H](OCc3cccnc3)C2)nn1 c1cncc(c1)CO[*:1] Cn1cc[nH+]c1-c1ccc(nn1)N1CCC[C@H](C1)[*:1]
Cn1cc[nH+]c1-c1ccc(N2CCC[C@H](OCc3cccnc3)C2)nn1 c1cncc(c1)[*:1] Cn1cc[nH+]c1-c1ccc(nn1)N1CCC[C@@H](C1)OC[*:1]
Cc1cncc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c1 Cc1cncc(c1)[*:1] O=C(N[*:1])c1ccc(cc1)N1CCCCC1=O
Cc1cncc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c1 O=C1CCCCN1[*:1] Cc1cncc(c1)NC(=O)c1ccc(cc1)[*:1]
O=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 O=c1cc(nc2sccn12)[*:1] O=C(c1ccc(cc1)COCC(F)(F)F)N1CCN(CC1)C[*:1]
O=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 FC(F)(F)[*:1] O=C(c1ccc(cc1)COC[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2n1
O=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 FC(F)(F)C[*:1] O=C(c1ccc(cc1)CO[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2n1
O=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 FC(F)(F)COC[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2n1
O=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 FC(F)(F)CO[*:1] O=C(c1ccc(cc1)C[*:1])N1CCN(CC1)Cc1cc(=O)n2ccsc2n1
Cc1ccc(-c2nc(C[NH2+][C@H](C)c3nnc4ccccn34)co2)cc1 Cc1ccc(cc1)[*:1] C[C@@H]([NH2+]Cc1coc(n1)[*:1])c1nnc2ccccn12
CC(C)NC(=O)CNC(=O)COc1cc(Cl)ccc1Cl CC(C)NC(=O)[*:1] O=C(COc1cc(Cl)ccc1Cl)NC[*:1]
CC(C)NC(=O)CNC(=O)COc1cc(Cl)ccc1Cl CC(C)[*:1] O=C(COc1cc(Cl)ccc1Cl)NCC(=O)N[*:1]
COC(=O)c1sc(NC(=O)c2ccc(N(C)C)cc2)c(C(=O)OC)c1C CN(C)[*:1] COC(=O)c1sc(NC(=O)c2ccc(cc2)[*:1])c(C(=O)OC)c1C
COC(=O)c1sc(NC(=O)c2ccc(N(C)C)cc2)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1sc(NC(=O)c2ccc(cc2)N(C)C)c(c1C)[*:1]
COC(=O)c1sc(NC(=O)c2ccc(N(C)C)cc2)c(C(=O)OC)c1C COC(=O)[*:1] COC(=O)c1c(NC(=O)c2ccc(cc2)N(C)C)sc(c1C)[*:1]
CC(C)COc1cncc(N2C[C@H]3CC[C@@H]2C3)n1 CC(C)CO[*:1] c1ncc(nc1N1C[C@H]2CC[C@@H]1C2)[*:1]
CC(C)COc1cncc(N2C[C@H]3CC[C@@H]2C3)n1 CC(C)C[*:1] c1ncc(nc1O[*:1])N1C[C@H]2CC[C@@H]1C2
CC(C)COc1cncc(N2C[C@H]3CC[C@@H]2C3)n1 CC(C)[*:1] c1ncc(nc1OC[*:1])N1C[C@H]2CC[C@@H]1C2
Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2N)cc1 Cc1ccc(cc1)[*:1] Nn1c(nnc1-c1ccccc1O)SCC(=O)N[*:1]
Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2N)cc1 Oc1ccccc1[*:1] Cc1ccc(cc1)NC(=O)CSc1nnc(n1N)[*:1]
C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 CN(C)S(=O)(=O)[*:1] C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Br)c(c1)[*:1]
CCc1ccccc1CNC(=O)CNC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] CCc1ccccc1CNC(=O)CNC(=O)N[*:1]
CCc1ccccc1CNC(=O)CNC(=O)NCc1ccc(F)cc1 Fc1ccc(cc1)[*:1] CCc1ccccc1CNC(=O)CNC(=O)NC[*:1]
CCc1ccccc1CNC(=O)CNC(=O)NCc1ccc(F)cc1 CCc1ccccc1[*:1] O=C(CNC(=O)NCc1ccc(F)cc1)NC[*:1]
CCC1(CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 CCC1(CC1)C[*:1] NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N[*:1]
CCC1(CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 NC(=O)[*:1] CCC1(CC1)CNC(=O)N1CCN(CC1)c1ccc(cc1)[*:1]
CCC1(CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 CCC1(CC1)[*:1] NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)NC[*:1]
O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 Clc1ccc(cc1)[*:1] O=c1[nH]c(=S)n(c2nc(cc(c12)C(F)(F)F)[*:1])C1CCCC1
O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 FC(F)(F)[*:1] O=c1[nH]c(=S)n(c2nc(cc(c12)[*:1])-c1ccc(Cl)cc1)C1CCCC1
O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 C1CCC(C1)[*:1] O=c1[nH]c(=S)n(c2nc(cc(c12)C(F)(F)F)-c1ccc(Cl)cc1)[*:1]
CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 CC(C)(C)[C@H](O)[*:1] CC(=O)N1CSC[C@@H]1C(=O)N1CCN(CC1)C[*:1]
CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 CC(C)(C)[*:1] CC(=O)N1CSC[C@@H]1C(=O)N1CCN(CC1)C[C@@H](O)[*:1]
CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C[C@@H](O)C(C)(C)C)CC1 CC(C)(C)[C@H](O)C[*:1] CC(=O)N1CSC[C@@H]1C(=O)N1CCN(CC1)[*:1]
CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)Cn2ccnc2)c1 c1cn(cn1)[*:1] CNS(=O)(=O)c1ccc(C)c(c1)C(=O)N[C@@H](C)C[*:1]
CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)Cn2ccnc2)c1 c1cn(cn1)C[*:1] CNS(=O)(=O)c1ccc(C)c(c1)C(=O)N[C@@H](C)[*:1]
CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)Cn2ccnc2)c1 CNS(=O)(=O)[*:1] Cc1ccc(cc1C(=O)N[C@@H](C)Cn1ccnc1)[*:1]
CCN(C)[C@@H](C(=O)OC)c1ccccc1F CCN(C)[*:1] COC(=O)[C@@H](c1ccccc1F)[*:1]
CCN(C)[C@@H](C(=O)OC)c1ccccc1F COC(=O)[*:1] CCN(C)[C@@H](c1ccccc1F)[*:1]
Cc1cccc(OC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)c1C Cc1cccc(c1C)[*:1] O=C1N[C@@H]2CS[C@@H](CCCCC(=O)O[*:1])[C@H]2N1
Cc1cccc(C)c1NC(=O)C1(NC(=O)[C@H]2C=CN=N2)CCCCC1 Cc1cccc(C)c1[*:1] O=C(NC1(CCCCC1)C(=O)N[*:1])[C@H]1C=CN=N1
COc1ncccc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C COc1ncccc1[*:1] Cn1c(nc2cc(ccc21)NC(=O)[*:1])C1CC1
COc1ncccc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C C1CC1[*:1] COc1ncccc1C(=O)Nc1ccc2c(c1)nc(n2C)[*:1]
CC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C[NH2+]C)c1 CC[C@@H](C)[*:1] C[NH2+]Cc1cccc(c1)O[C@@H](C)C(=O)N[*:1]
CCNC(=O)CCS(=O)(=O)c1cc(Br)ccc1OC CCNC(=O)[*:1] COc1ccc(Br)cc1S(=O)(=O)CC[*:1]
CCNC(=O)CCS(=O)(=O)c1cc(Br)ccc1OC CCNC(=O)C[*:1] COc1ccc(Br)cc1S(=O)(=O)C[*:1]
C[NH2+][C@H](Cc1ccccn1)c1cc(C(F)(F)F)ccc1F c1ccc(nc1)[*:1] C[NH2+][C@H](C[*:1])c1cc(ccc1F)C(F)(F)F
C[NH2+][C@H](Cc1ccccn1)c1cc(C(F)(F)F)ccc1F c1ccc(C[*:1])nc1 C[NH2+][C@H](c1cc(ccc1F)C(F)(F)F)[*:1]
C[NH2+][C@H](Cc1ccccn1)c1cc(C(F)(F)F)ccc1F FC(F)(F)[*:1] C[NH2+][C@H](Cc1ccccn1)c1cc(ccc1F)[*:1]
Cc1c(C(=O)N2CCCCC[C@@H]2c2cccn2C)[nH]c2c1C(=O)CC(C)(C)C2 Cn1cccc1[*:1] Cc1c([nH]c2CC(C)(C)CC(=O)c21)C(=O)N1CCCCC[C@H]1[*:1]
CCc1noc(C[S@@](=O)[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)n1 CCc1noc(n1)[*:1] Cc1ccc(cc1Cl)NC(=O)[C@@H](C)[S@](=O)C[*:1]
CCCC[C@@H](CC)C(=O)N[C@H](C)c1cccc(C#N)c1 CCCC[*:1] CC[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)[*:1]
CCCC[C@@H](CC)C(=O)N[C@H](C)c1cccc(C#N)c1 CCC[*:1] CC[C@H](C[*:1])C(=O)N[C@H](C)c1cccc(C#N)c1
COC(=O)[C@@]1(C(C)C)O[C@]12CCO[C@H](C)C2 CC(C)[*:1] COC(=O)[C@]1(O[C@]12CCO[C@H](C)C2)[*:1]
COC(=O)[C@@]1(C(C)C)O[C@]12CCO[C@H](C)C2 COC(=O)[*:1] CC(C)[C@]1(O[C@]12CCO[C@H](C)C2)[*:1]
COc1ccccc1[C@H]([C@H]([O-])C(=O)c1c[nH]c2ccccc12)N1CCC([NH+]2CCCCC2)CC1 COc1ccccc1[*:1] O=C(c1c[nH]c2ccccc12)[C@@H]([O-])[C@H](N1CCC(CC1)[NH+]1CCCCC1)[*:1]
COc1ccccc1[C@H]([C@H]([O-])C(=O)c1c[nH]c2ccccc12)N1CCC([NH+]2CCCCC2)CC1 O=C(c1c[nH]c2ccccc12)[*:1] COc1ccccc1[C@H]([C@H]([O-])[*:1])N1CCC(CC1)[NH+]1CCCCC1
COc1ccccc1[C@H]([C@H]([O-])C(=O)c1c[nH]c2ccccc12)N1CCC([NH+]2CCCCC2)CC1 c1ccc2c(c[nH]c2c1)[*:1] COc1ccccc1[C@H]([C@H]([O-])C(=O)[*:1])N1CCC(CC1)[NH+]1CCCCC1
COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)[*:1] COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)N[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)NC(C)(C)C CC(C)(C)NC(=O)[*:1] COc1ccccc1/C=C/C(=O)Nc1ccccc1[*:1]
COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)NC(C)(C)C COc1ccccc1[*:1] CC(C)(C)NC(=O)c1ccccc1NC(=O)C=C[*:1]
Cc1cccc(NC(=O)CNC(=O)c2cc(C)nn2C)c1 Cc1cc(n(C)n1)[*:1] Cc1cccc(c1)NC(=O)CNC(=O)[*:1]
Cc1cccc(NC(=O)CNC(=O)c2cc(C)nn2C)c1 Cc1cccc(c1)[*:1] Cc1cc(C(=O)NCC(=O)N[*:1])n(C)n1
C/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1 c1ccc(cc1)[*:1] CC(=NNC(=S)Nc1cccc(C)c1)[*:1]
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1ccc2c(c1)OCO2 c1ccc(cc1)[*:1] O=C(CSc1nnc(-c2ccc(F)cc2)n1[*:1])c1ccc2OCOc2c1
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1ccc2c(c1)OCO2 c1cc2OCOc2cc1[*:1] O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)[*:1]
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1ccc2c(c1)OCO2 Fc1ccc(cc1)[*:1] O=C(CSc1nnc(n1-c1ccccc1)[*:1])c1ccc2OCOc2c1
CN1/C(=C\C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)C(C)(C)c2ccccc21 Clc1ccc(cc1)[*:1] CN1/C(=C\C(=O)CN2C(=O)N[C@@](C)(C2=O)[*:1])C(C)(C)c2ccccc21
CCOc1ccccc1NC(=O)NC[C@](C)(O)c1ccc2c(c1)OCO2 CCO[*:1] C[C@](O)(CNC(=O)Nc1ccccc1[*:1])c1ccc2OCOc2c1
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NCCCn2cccn2)cc1 c1cnn(c1)[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)C(=O)NCCC[*:1]
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NCCCn2cccn2)cc1 c1cnn(c1)C[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)C(=O)NCC[*:1]
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NCCCn2cccn2)cc1 c1cnn(c1)CCC[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)C(=O)N[*:1]
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NCCCn2cccn2)cc1 c1cnn(c1)CC[*:1] C[C@@H]1CCCCN1C(=O)c1ccc(cc1)NC(=O)C(=O)NC[*:1]
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NCCCn2cccn2)cc1 C[C@@H]1CCCCN1C(=O)[*:1] O=C(NCCCn1cccn1)C(=O)Nc1ccc(cc1)[*:1]
CCn1c(SCC[S@](=O)c2ccccc2)nc2ccccc2c1=O c1ccc(cc1)[*:1] CCn1c(nc2ccccc2c1=O)SCC[S@](=O)[*:1]
Cc1nn(C)c(C)c1/C=C/C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 Cc1nn(C)c(C)c1[*:1] O=C(C=C[*:1])NCc1ccc(cc1)Oc1ccc(F)cc1
Cc1nn(C)c(C)c1/C=C/C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] Cc1nn(C)c(C)c1/C=C/C(=O)NCc1ccc(cc1)O[*:1]
Cc1nn(C)c(C)c1/C=C/C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 Fc1ccc(cc1)O[*:1] Cc1nn(C)c(C)c1/C=C/C(=O)NCc1ccc(cc1)[*:1]
C[C@@H](Cc1ccccc1F)C(=O)Nc1cnn(CC[NH+](C)C)c1 Fc1ccccc1[*:1] C[C@@H](C[*:1])C(=O)Nc1cnn(c1)CC[NH+](C)C
COc1cccc2cc(C(=O)Nc3ccc4c(C(C)C)cc(=O)[nH]c4c3)c(=O)oc12 CC(C)[*:1] COc1cccc2cc(C(=O)Nc3ccc4c(cc(=O)[nH]c4c3)[*:1])c(=O)oc12
C[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C CC(C)(C)[*:1] C[NH2+]C[C@@H]1CCCO[C@H]1[*:1]
O=C(NCCc1ccc(F)cc1)NCc1cn2ccsc2n1 Fc1ccc(cc1)[*:1] O=C(NCC[*:1])NCc1cn2ccsc2n1
CCNc1cncc(-c2ccc(Cl)cc2F)n1 CCN[*:1] Fc1cc(Cl)ccc1-c1cncc(n1)[*:1]
C/C(=C/c1ccccc1)C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 C1CCC(CC1)[*:1] C/C(=C/c1ccccc1)C[NH+]1CCN(CC1)CC(=O)N[*:1]
C/C(=C/c1ccccc1)C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 c1ccc(cc1)[*:1] CC(=C[*:1])C[NH+]1CCN(CC1)CC(=O)NC1CCCCC1
CC1=c2cc(C)cc(C)c2=[NH+][C@H]1C(=O)NC[C@@H]1CC(Cc2ccc(F)cc2)=NO1 Fc1ccc(cc1)[*:1] CC1=c2cc(C)cc(C)c2=[NH+][C@H]1C(=O)NC[C@@H]1CC(C[*:1])=NO1
CC1=c2cc(C)cc(C)c2=[NH+][C@H]1C(=O)NC[C@@H]1CC(Cc2ccc(F)cc2)=NO1 Fc1ccc(cc1)C[*:1] CC1=c2cc(C)cc(C)c2=[NH+][C@H]1C(=O)NC[C@@H]1CC(=NO1)[*:1]
O=C(Cn1cnc2ccccc2c1=O)Nc1cc([N+](=O)[O-])ccc1F O=[N+]([O-])[*:1] O=C(Cn1cnc2ccccc2c1=O)Nc1cc(ccc1F)[*:1]
CCN(CC)c1ccc2cc(C(=O)/C=C/c3cccc(O)c3)c(=O)oc2c1 CCN(CC)[*:1] O=C(/C=C/c1cccc(O)c1)c1cc2ccc(cc2oc1=O)[*:1]
CCN(CC)c1ccc2cc(C(=O)/C=C/c3cccc(O)c3)c(=O)oc2c1 Oc1cccc(c1)[*:1] CCN(CC)c1ccc2cc(C(=O)C=C[*:1])c(=O)oc2c1
CCN(CC)c1ccc2cc(C(=O)/C=C/c3cccc(O)c3)c(=O)oc2c1 Oc1cccc(C=C[*:1])c1 CCN(CC)c1ccc2cc(C(=O)[*:1])c(=O)oc2c1
COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)c(=O)[nH]c2c1 OC1CCN(CC1)[*:1] COc1ccc2cc(c(=O)[nH]c2c1)[C@@H](c1nnnn1Cc1ccc(F)cc1)[*:1]
COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)c(=O)[nH]c2c1 Fc1ccc(cc1)[*:1] COc1ccc2cc(c(=O)[nH]c2c1)[C@@H](c1nnnn1C[*:1])N1CCC(O)CC1
COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)c(=O)[nH]c2c1 Fc1ccc(cc1)C[*:1] COc1ccc2cc(c(=O)[nH]c2c1)[C@@H](c1nnnn1[*:1])N1CCC(O)CC1
O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)O[*:1] O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)Nc1ccccc1[*:1]
O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)Nc1ccccc1O[*:1]
O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)Nc1ccccc1Oc1ccccc1 c1ccc(cc1)[*:1] O=C(Cn1cnc2c(nnn2[*:1])c1=O)Nc1ccccc1Oc1ccccc1
CC[C@H](C)N1C(N)=[NH+]C[C@@]1(C)CCC(C)C CC[C@H](C)[*:1] CC(C)CC[C@]1(C)C[NH+]=C(N)N1[*:1]
CC[C@H](C)N1C(N)=[NH+]C[C@@]1(C)CCC(C)C CC(C)C[*:1] CC[C@H](C)N1C(N)=[NH+]C[C@@]1(C)C[*:1]
CC[C@H](C)N1C(N)=[NH+]C[C@@]1(C)CCC(C)C CC(C)[*:1] CC[C@H](C)N1C(N)=[NH+]C[C@@]1(C)CC[*:1]
CC[C@H](C)N1C(N)=[NH+]C[C@@]1(C)CCC(C)C CC(C)CC[*:1] CC[C@H](C)N1C(N)=[NH+]C[C@]1(C)[*:1]
O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1c[nH]c2ccccc12 c1cc2OCOc2cc1[*:1] O=C(NCc1cc(on1)[*:1])c1c[nH]c2ccccc12
O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1c[nH]c2ccccc12 c1ccc2c(c[nH]c2c1)[*:1] O=C(NCc1cc(on1)-c1ccc2OCOc2c1)[*:1]
C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3cccs3)CC2)S1 c1csc(c1)[*:1] C[C@H]1C[NH+]=C(S1)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCC(C)C)CC2=O)cc1C CC(C)C[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)NC[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCC(C)C)CC2=O)cc1C CC(C)CC[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)N[*:1]
Cc1ccc(N2C[C@H](C(=O)NCCC(C)C)CC2=O)cc1C CC(C)[*:1] Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)NCC[*:1]
O=C(CCc1ccco1)Nc1ncn(CC(=O)N2CCCCCC2)n1 c1coc(c1)C[*:1] O=C(C[*:1])Nc1ncn(CC(=O)N2CCCCCC2)n1
O=C(CCc1ccco1)Nc1ncn(CC(=O)N2CCCCCC2)n1 c1coc(c1)CC[*:1] O=C(Cn1cnc(n1)NC(=O)[*:1])N1CCCCCC1
O=C(CCc1ccco1)Nc1ncn(CC(=O)N2CCCCCC2)n1 c1coc(c1)[*:1] O=C(CC[*:1])Nc1ncn(CC(=O)N2CCCCCC2)n1
O=C(c1ccc2c(c1)CC(=O)N2Cc1ccccc1)N1CCCCCC1 c1ccc(cc1)[*:1] O=C(c1ccc2c(c1)CC(=O)N2C[*:1])N1CCCCCC1
O=C(c1ccc2c(c1)CC(=O)N2Cc1ccccc1)N1CCCCCC1 c1ccc(cc1)C[*:1] O=C(c1ccc2c(c1)CC(=O)N2[*:1])N1CCCCCC1
C[C@@H](NC(=O)COc1cccnc1Br)C1CC1 C1CC1[*:1] C[C@@H](NC(=O)COc1cccnc1Br)[*:1]
C[C@@H](NC(=O)COc1cccnc1Br)C1CC1 C[C@@H](C1CC1)[*:1] O=C(COc1cccnc1Br)N[*:1]
C[C@H](C(=O)N(C)Cc1cc(Br)cs1)n1cccn1 Brc1csc(c1)[*:1] C[C@H](C(=O)N(C)C[*:1])n1cccn1
C[C@H](C(=O)N(C)Cc1cc(Br)cs1)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)N(C)Cc1cc(Br)cs1)[*:1]
O=c1c2cc(-c3cccs3)nn2ccn1Cc1noc(CCl)n1 ClCc1nc(no1)[*:1] O=c1c2cc(nn2ccn1C[*:1])-c1cccs1
O=c1c2cc(-c3cccs3)nn2ccn1Cc1noc(CCl)n1 c1csc(c1)[*:1] O=c1c2cc(nn2ccn1Cc1noc(CCl)n1)[*:1]
C=CCn1c(SCC#N)nc2sc(-c3ccccc3)cc2c1=O C=CC[*:1] N#CCSc1nc2sc(cc2c(=O)n1[*:1])-c1ccccc1
C=CCn1c(SCC#N)nc2sc(-c3ccccc3)cc2c1=O N#CCS[*:1] C=CCn1c(nc2sc(cc2c1=O)-c1ccccc1)[*:1]
C=CCn1c(SCC#N)nc2sc(-c3ccccc3)cc2c1=O N#CC[*:1] C=CCn1c(nc2sc(cc2c1=O)-c1ccccc1)S[*:1]
C=CCn1c(SCC#N)nc2sc(-c3ccccc3)cc2c1=O c1ccc(cc1)[*:1] C=CCn1c(nc2sc(cc2c1=O)[*:1])SCC#N
CC[C@H]1CN(C(=O)NCc2ccc(F)cc2CSC)C[C@@H](C)O1 CSC[*:1] CC[C@H]1CN(C[C@@H](C)O1)C(=O)NCc1ccc(F)cc1[*:1]
CCCc1noc(CS[C@@H](C)C(=O)Nc2ccc(C)cc2C)n1 CCC[*:1] Cc1ccc(NC(=O)[C@H](C)SCc2nc(no2)[*:1])c(C)c1
O=C(c1ccccc1)N1CCC(CN2C(=O)CNC2=O)CC1 c1ccc(cc1)[*:1] O=C1CNC(=O)N1CC1CCN(CC1)C(=O)[*:1]
O=C(c1ccccc1)N1CCC(CN2C(=O)CNC2=O)CC1 O=C1CNC(=O)N1[*:1] O=C(c1ccccc1)N1CCC(CC1)C[*:1]
COCCCN1C(=O)S/C(=C\c2sccc2C)C1=O COCCC[*:1] Cc1ccsc1/C=C1\SC(=O)N(C1=O)[*:1]
COCCCN1C(=O)S/C(=C\c2sccc2C)C1=O Cc1ccsc1[*:1] COCCCN1C(=O)SC(=C[*:1])C1=O
COCCCN1C(=O)S/C(=C\c2sccc2C)C1=O COCC[*:1] Cc1ccsc1/C=C1\SC(=O)N(C[*:1])C1=O
COCCCN1C(=O)S/C(=C\c2sccc2C)C1=O COC[*:1] Cc1ccsc1/C=C1\SC(=O)N(CC[*:1])C1=O
COC(=O)C1CCN(C(=O)COc2ncnc3sc(C)c(C)c23)CC1 COC(=O)[*:1] Cc1sc2ncnc(OCC(=O)N3CCC(CC3)[*:1])c2c1C
CSc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 C1CC1[*:1] CSc1ccc(cc1)CN(C)C(=O)Nc1cccc(c1)NC(=O)[*:1]
CSc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 O=C(N[*:1])C1CC1 CSc1ccc(cc1)CN(C)C(=O)Nc1cccc(c1)[*:1]
CSc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 CSc1ccc(cc1)[*:1] CN(C[*:1])C(=O)Nc1cccc(c1)NC(=O)C1CC1
O=C(C1CCOCC1)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 C1CC(CCO1)[*:1] O=C(NC[C@H]1CCCN(C1)C(=O)[*:1])C1(CC1)c1ccc(Cl)cc1
O=C(C1CCOCC1)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 Clc1ccc(cc1)[*:1] O=C(C1CCOCC1)N1CCC[C@H](CNC(=O)C2(CC2)[*:1])C1
O=C(CSc1ccc(F)c(F)c1)Nc1sccc1C(=O)[O-] O=C([O-])[*:1] O=C(CSc1ccc(F)c(F)c1)Nc1sccc1[*:1]
O=C(Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O)NC1CCCC1 Clc1ccc(cc1)[*:1] O=C(Cn1nc2ccc(nn2c1=O)SC[*:1])NC1CCCC1
O=C(Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O)NC1CCCC1 C1CCC(C1)[*:1] O=C(Cn1nc2ccc(nn2c1=O)SCc1ccc(Cl)cc1)N[*:1]
O=C(Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O)NC1CCCC1 O=C(C[*:1])NC1CCCC1 O=c1n(nc2ccc(nn12)SCc1ccc(Cl)cc1)[*:1]
O=C(Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O)NC1CCCC1 Clc1ccc(cc1)CS[*:1] O=C(Cn1nc2ccc(nn2c1=O)[*:1])NC1CCCC1
O=C(Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O)NC1CCCC1 Clc1ccc(cc1)C[*:1] O=C(Cn1nc2ccc(nn2c1=O)S[*:1])NC1CCCC1
O=C(Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O)NC1CCCC1 O=C(NC1CCCC1)[*:1] O=c1n(C[*:1])nc2ccc(nn12)SCc1ccc(Cl)cc1
CC[NH+](CC)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 CS(=O)(=O)[*:1] CC[NH+](CC)C[C@H](O)c1ccc(cc1)[*:1]
C[C@H]1CCC[C@](CNC(=O)NCCN2C(=O)CCC2=O)([NH+](C)C)C1 O=C1CCC(=O)N1[*:1] C[C@H]1CCC[C@@](CNC(=O)NCC[*:1])(C1)[NH+](C)C
C[C@H]1CCC[C@](CNC(=O)NCCN2C(=O)CCC2=O)([NH+](C)C)C1 O=C1CCC(=O)N1C[*:1] C[C@H]1CCC[C@@](CNC(=O)NC[*:1])(C1)[NH+](C)C
Cc1occc1C(=O)N1CCN(Cc2cccs2)CC1 c1csc(c1)[*:1] Cc1occc1C(=O)N1CCN(CC1)C[*:1]
Cc1occc1C(=O)N1CCN(Cc2cccs2)CC1 c1csc(c1)C[*:1] Cc1occc1C(=O)N1CCN(CC1)[*:1]
Cc1occc1C(=O)N1CCN(Cc2cccs2)CC1 Cc1occc1[*:1] O=C(N1CCN(CC1)Cc1cccs1)[*:1]
CC(C)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 CC(C)[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)C(=O)N2CCC[C@@H]2C[*:1])c1=O
CC(C)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 CC(C)C[*:1] Cn1cnn(-c2ccc(cc2)NC(=O)C(=O)N2CCC[C@@H]2[*:1])c1=O
CC(C)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 Cn1cnn(c1=O)[*:1] CC(C)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(cc1)[*:1]
CCCN1C(=O)S[C@H](Nc2ccccc2)C1=O CCC[*:1] O=C1S[C@H](Nc2ccccc2)C(=O)N1[*:1]
CC(C)NC(=O)CC[NH+]1CCc2ccccc2C1 CC(C)[*:1] O=C(CC[NH+]1CCc2ccccc2C1)N[*:1]
CC(C)NC(=O)CC[NH+]1CCc2ccccc2C1 CC(C)NC(=O)[*:1] c1ccc2C[NH+](CCc2c1)CC[*:1]
O=C(OCCCc1cccnc1)[C@H]1COc2ccccc2C1 c1cncc(c1)[*:1] O=C(OCCC[*:1])[C@H]1COc2ccccc2C1
O=C(OCCCc1cccnc1)[C@H]1COc2ccccc2C1 c1cncc(c1)C[*:1] O=C(OCC[*:1])[C@H]1COc2ccccc2C1
Cc1ccc(CNC(=O)[C@H]2C=C(c3ccccn3)N=N2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])[C@H]1C=C(N=N1)c1ccccn1
Cc1ccc(CNC(=O)[C@H]2C=C(c3ccccn3)N=N2)cc1 c1ccc(nc1)[*:1] Cc1ccc(cc1)CNC(=O)[C@H]1C=C(N=N1)[*:1]
C[C@@H](SCc1nc2ccccc2s1)C(=O)NC1CCCC1 C1CCC(C1)[*:1] C[C@@H](SCc1nc2ccccc2s1)C(=O)N[*:1]
COc1ccc(Cl)cc1CCNC(=O)NCCc1cccnc1 c1cncc(c1)[*:1] COc1ccc(Cl)cc1CCNC(=O)NCC[*:1]
COc1ccc(Cl)cc1CCNC(=O)NCCc1cccnc1 c1cncc(c1)C[*:1] COc1ccc(Cl)cc1CCNC(=O)NC[*:1]
CCOc1ccc([C@H](C)Nc2nnnn2-c2ccccc2)cc1 c1ccc(cc1)[*:1] CCOc1ccc(cc1)[C@H](C)Nc1nnnn1[*:1]
CCOc1ccc([C@H](C)Nc2nnnn2-c2ccccc2)cc1 CCO[*:1] C[C@H](Nc1nnnn1-c1ccccc1)c1ccc(cc1)[*:1]
Cc1cn2c(=O)cc(COc3ccccc3NC(=O)C(C)(C)C)nc2s1 CC(C)(C)[*:1] Cc1cn2c(=O)cc(COc3ccccc3NC(=O)[*:1])nc2s1
Cc1cn2c(=O)cc(COc3ccccc3NC(=O)C(C)(C)C)nc2s1 CC(C)(C)C(=O)N[*:1] Cc1cn2c(=O)cc(COc3ccccc3[*:1])nc2s1
CCc1ccc([C@@H](O)[C@H](C)CC)o1 CC[C@@H](C)[*:1] CCc1ccc(o1)[C@@H](O)[*:1]
O=C(c1cccnc1-n1cncn1)N1CC[NH+](CC2CC2)CC1 c1ncn(n1)[*:1] O=C(c1cccnc1[*:1])N1CC[NH+](CC1)CC1CC1
O=C(c1cccnc1-n1cncn1)N1CC[NH+](CC2CC2)CC1 C1CC1[*:1] O=C(c1cccnc1-n1cncn1)N1CC[NH+](CC1)C[*:1]
O=C(c1cccnc1-n1cncn1)N1CC[NH+](CC2CC2)CC1 C1CC1C[*:1] O=C(c1cccnc1-n1cncn1)N1CC[NH+](CC1)[*:1]
Cc1cc(S(=O)(=O)N(C[C@@H]2C[C@@H]2C)C(C)C)cc([N+](=O)[O-])c1F O=[N+]([O-])[*:1] Cc1cc(cc(c1F)[*:1])S(=O)(=O)N(C[C@@H]1C[C@@H]1C)C(C)C
Cc1cc(S(=O)(=O)N(C[C@@H]2C[C@@H]2C)C(C)C)cc([N+](=O)[O-])c1F CC(C)[*:1] Cc1cc(cc(c1F)[N+](=O)[O-])S(=O)(=O)N(C[C@@H]1C[C@@H]1C)[*:1]
CCn1nc(C)c(CCNC(=O)Nc2ccc(Br)cc2)c1C Brc1ccc(cc1)[*:1] CCn1nc(C)c(CCNC(=O)N[*:1])c1C
C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c2ccccc21 Cn1cc(cn1)[*:1] C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(C2)[*:1])c2ccccc21
O[C@@H]1CN(Cc2ccc(OC3CCCC3)cc2)CC[C@H]1[NH+]1CCCCCC1 C1CCC(C1)[*:1] O[C@@H]1CN(CC[C@H]1[NH+]1CCCCCC1)Cc1ccc(cc1)O[*:1]
O[C@@H]1CN(Cc2ccc(OC3CCCC3)cc2)CC[C@H]1[NH+]1CCCCCC1 C1CCC(C1)O[*:1] O[C@@H]1CN(CC[C@H]1[NH+]1CCCCCC1)Cc1ccc(cc1)[*:1]
C[C@H](NC(=O)NCc1cccnc1-n1cncn1)[C@H](C)c1ccccc1 C[C@H](c1ccccc1)[*:1] C[C@H](NC(=O)NCc1cccnc1-n1cncn1)[*:1]
C[C@H](NC(=O)NCc1cccnc1-n1cncn1)[C@H](C)c1ccccc1 c1ncn(n1)[*:1] C[C@H](NC(=O)NCc1cccnc1[*:1])[C@H](C)c1ccccc1
C[C@H](NC(=O)NCc1cccnc1-n1cncn1)[C@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](NC(=O)NCc1cccnc1-n1cncn1)[C@H](C)[*:1]
Cc1cnc(C)c(N2CC[NH+](Cc3nc(-c4ccc(C)o4)oc3C)CC2)n1 Cc1ccc(o1)[*:1] Cc1cnc(C)c(n1)N1CC[NH+](CC1)Cc1nc(oc1C)[*:1]
Cc1cnc(C)c(N2CC[NH+](Cc3nc(-c4ccc(C)o4)oc3C)CC2)n1 Cc1cnc(C)c(n1)[*:1] Cc1ccc(o1)-c1nc(C[NH+]2CCN(CC2)[*:1])c(C)o1
CCOc1cc(Cl)ccc1C[NH2+][C@H](C)CC1CCOCC1 C1CC(CCO1)[*:1] CCOc1cc(Cl)ccc1C[NH2+][C@H](C)C[*:1]
CCOc1cc(Cl)ccc1C[NH2+][C@H](C)CC1CCOCC1 CCO[*:1] C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(Cl)cc1[*:1]
CCOc1cc(Cl)ccc1C[NH2+][C@H](C)CC1CCOCC1 C1CC(CCO1)C[*:1] CCOc1cc(Cl)ccc1C[NH2+][C@H](C)[*:1]
COc1ccc(C(=O)/C(C#N)=c2/s/c(=C\c3cc(Cl)c4c(c3)OCO4)c(=O)n2C)cc1 Clc1cc(cc2OCOc12)[*:1] COc1ccc(cc1)C(=O)/C(C#N)=c1/sc(=C[*:1])c(=O)n1C
COc1ccc(C(=O)/C(C#N)=c2/s/c(=C\c3cc(Cl)c4c(c3)OCO4)c(=O)n2C)cc1 COc1ccc(cc1)C(=O)[*:1] Cn1c(=O)/c(=C/c2cc(Cl)c3OCOc3c2)sc1=C(C#N)[*:1]
COc1ccc(C(=O)/C(C#N)=c2/s/c(=C\c3cc(Cl)c4c(c3)OCO4)c(=O)n2C)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)/c(=C/c2cc(Cl)c3OCOc3c2)s/c1=C(\C#N)C(=O)[*:1]
O=C(c1cc(F)ccc1Br)N1CCC(c2nc3ccccc3s2)CC1 Fc1ccc(Br)c(c1)[*:1] O=C(N1CCC(CC1)c1nc2ccccc2s1)[*:1]
[NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC[C@H]2CCCO)C1 OCCC[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)N1CCC[C@@H]1[*:1]
[NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC[C@H]2CCCO)C1 OCC[*:1] [NH3+][C@@H]1C=C[C@H](C1)C(=O)N1CCC[C@H]1C[*:1]
O=C(NCc1cnn(-c2ccccc2)c1)[C@@H]1CC=CCC1 c1ccc(cc1)[*:1] O=C(NCc1cnn(c1)[*:1])[C@@H]1CC=CCC1
COC(=O)c1cccc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)c1 COC(=O)[*:1] CC(=O)N[C@@H](CC(=O)Nc1cccc(c1)[*:1])c1ccc(C)cc1
COC(=O)c1cccc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)c1 Cc1ccc(cc1)[*:1] COC(=O)c1cccc(c1)NC(=O)C[C@H](NC(C)=O)[*:1]
COC(=O)c1cccc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)c1 CC(=O)N[*:1] COC(=O)c1cccc(c1)NC(=O)C[C@H](c1ccc(C)cc1)[*:1]
Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)cc(C)c1O FC(F)(F)[*:1] Cc1cc(cc(C)c1O)C[NH2+][C@H]1CCCC[C@H]1[*:1]
Cc1noc(C)c1N(C)CC(=O)Nc1cccc2ccccc12 Cc1noc(C)c1[*:1] CN(CC(=O)Nc1cccc2ccccc12)[*:1]
C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@@H](C)c1ccccc1 C[C@H](Cl)[*:1] C[C@@H](c1ccccc1)n1c(nc2cc(Br)cnc21)[*:1]
C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@@H](C)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](Cl)c1nc2cc(Br)cnc2n1[C@@H](C)[*:1]
O=c1c2c(-c3ccc(F)cc3)csc2[nH]c(=S)n1Cc1ccccc1 Fc1ccc(cc1)[*:1] O=c1c2c(csc2[nH]c(=S)n1Cc1ccccc1)[*:1]
O=c1c2c(-c3ccc(F)cc3)csc2[nH]c(=S)n1Cc1ccccc1 c1ccc(cc1)C[*:1] O=c1c2c(csc2[nH]c(=S)n1[*:1])-c1ccc(F)cc1
O=c1c2c(-c3ccc(F)cc3)csc2[nH]c(=S)n1Cc1ccccc1 c1ccc(cc1)[*:1] O=c1c2c(csc2[nH]c(=S)n1C[*:1])-c1ccc(F)cc1
COc1ccc([C@@H](NC(=O)C[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc2)cc1 c1ccc(cc1)[*:1] COc1ccc(cc1)[C@@H](NC(=O)C[NH+]1CCN(CC1)[C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc([C@@H](NC(=O)C[NH+]2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc2)cc1 COc1ccc(cc1)[*:1] O=C(C[NH+]1CCN(CC1)[C@H]1CCS(=O)(=O)C1)N[C@@H](c1ccccc1)[*:1]
COC(=O)c1c(Br)c(O)cc(O)c1Br COC(=O)[*:1] Oc1cc(O)c(Br)c(c1Br)[*:1]
Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)n1 Cc1cc(C)n(n1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)S(=O)(=O)[N-]c1ccccc1[*:1]
[NH3+][C@H](c1cccs1)[C@H]1CCCc2cccnc21 c1csc(c1)[*:1] [NH3+][C@H]([C@H]1CCCc2cccnc21)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)N(CCCN2CCOCC2)C3=O)cc1 C(CN1CCOCC1)C[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N([C@H](c3ccccc3Cl)c12)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)N(CCCN2CCOCC2)C3=O)cc1 Clc1ccccc1[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(CCCN3CCOCC3)[C@H](c12)[*:1]
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)N(CCCN2CCOCC2)C3=O)cc1 C1CN(CCO1)C[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(CC[*:1])[C@H](c3ccccc3Cl)c12
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)N(CCCN2CCOCC2)C3=O)cc1 C1CN(CCO1)[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(CCC[*:1])[C@H](c3ccccc3Cl)c12
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)N(CCCN2CCOCC2)C3=O)cc1 C1CN(CCO1)CC[*:1] Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C[*:1])[C@H](c3ccccc3Cl)c12
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)N(CCCN2CCOCC2)C3=O)cc1 Cc1ccc(cc1)[*:1] O=C1c2[nH]nc(c2[C@@H](c2ccccc2Cl)N1CCCN1CCOCC1)[*:1]
NC(=O)NC(=O)CCNc1c(F)cc([N+](=O)[O-])cc1Br O=[N+]([O-])[*:1] NC(=O)NC(=O)CCNc1c(F)cc(cc1Br)[*:1]
NC(=O)NC(=O)CCNc1c(F)cc([N+](=O)[O-])cc1Br NC(=O)NC(=O)[*:1] O=[N+]([O-])c1cc(F)c(NCC[*:1])c(Br)c1
CC(C)c1cc(C(=O)N2C[C@@H](C[NH+]3CCCC3)C[C@@H](CO)C2)n(C)n1 CC(C)[*:1] Cn1nc(cc1C(=O)N1C[C@H](C[C@@H](CO)C1)C[NH+]1CCCC1)[*:1]
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1cccnc1)c1ccccc1 c1cncc(c1)[*:1] O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1[*:1])c1ccccc1
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1cccnc1)c1ccccc1 c1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@@H](c2cccnc2)N1CC[NH+]1CCCC1
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1cccnc1)c1ccccc1 O=C(c1ccccc1)[*:1] O=C1C([O-])=C([C@@H](c2cccnc2)N1CC[NH+]1CCCC1)[*:1]
CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccccc1 c1ccc(cc1)OC[*:1] CCCc1n(C)c2ccccc2[n+]1C[C@H](O)[*:1]
CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccccc1 CCC[*:1] Cn1c([n+](C[C@H](O)COc2ccccc2)c2ccccc21)[*:1]
CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccccc1 c1ccc(cc1)O[*:1] CCCc1n(C)c2ccccc2[n+]1C[C@H](O)C[*:1]
CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccccc1 c1ccc(cc1)[*:1] CCCc1n(C)c2ccccc2[n+]1C[C@H](O)CO[*:1]
COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4cc(C)on4)CC3)CC2=O)cc1 Cc1cc(no1)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)C(=O)N[*:1]
COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4cc(C)on4)CC3)CC2=O)cc1 Cc1cc(no1)NC(=O)[*:1] COc1ccc(cc1)N1C[C@H](CC1=O)C(=O)N1CCC(CC1)[*:1]
COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4cc(C)on4)CC3)CC2=O)cc1 COc1ccc(cc1)[*:1] Cc1cc(no1)NC(=O)C1CCN(CC1)C(=O)[C@H]1CC(=O)N(C1)[*:1]
CC1CCN(C(=O)c2ccccc2NC(=S)NC(=O)c2ccc(OC(C)C)cc2)CC1 CC(C)[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=S)NC(=O)c1ccc(cc1)O[*:1]
CC1CCN(C(=O)c2ccccc2NC(=S)NC(=O)c2ccc(OC(C)C)cc2)CC1 CC(C)O[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=S)NC(=O)c1ccc(cc1)[*:1]
CC1CCN(C(=O)c2ccccc2NC(=S)NC(=O)c2ccc(OC(C)C)cc2)CC1 CC1CCN(CC1)C(=O)[*:1] CC(C)Oc1ccc(cc1)C(=O)NC(=S)Nc1ccccc1[*:1]
CC1CCN(C(=O)c2ccccc2NC(=S)NC(=O)c2ccc(OC(C)C)cc2)CC1 CC(C)Oc1ccc(cc1)[*:1] CC1CCN(CC1)C(=O)c1ccccc1NC(=S)NC(=O)[*:1]
Cc1csc([C@H](C)NC(=O)Nc2ccc([S@](C)=O)c(F)c2)n1 Cc1csc(n1)[*:1] C[C@H](NC(=O)Nc1ccc(c(F)c1)[S@](C)=O)[*:1]
Cc1csc([C@H](C)NC(=O)Nc2ccc([S@](C)=O)c(F)c2)n1 C[S@](=O)[*:1] Cc1csc(n1)[C@H](C)NC(=O)Nc1ccc(c(F)c1)[*:1]
CCNC(=O)CCCC(=O)N1CCN(Cc2ccccc2)C[C@H]1C c1ccc(cc1)C[*:1] CCNC(=O)CCCC(=O)N1CCN(C[C@H]1C)[*:1]
CCNC(=O)CCCC(=O)N1CCN(Cc2ccccc2)C[C@H]1C CCNC(=O)C[*:1] C[C@@H]1CN(CCN1C(=O)CC[*:1])Cc1ccccc1
CCNC(=O)CCCC(=O)N1CCN(Cc2ccccc2)C[C@H]1C CCNC(=O)[*:1] C[C@@H]1CN(CCN1C(=O)CCC[*:1])Cc1ccccc1
CCNC(=O)CCCC(=O)N1CCN(Cc2ccccc2)C[C@H]1C c1ccc(cc1)[*:1] CCNC(=O)CCCC(=O)N1CCN(C[C@H]1C)C[*:1]
CCNC(=O)CCCC(=O)N1CCN(Cc2ccccc2)C[C@H]1C CCNC(=O)CCC[*:1] C[C@@H]1CN(CCN1C(=O)[*:1])Cc1ccccc1
CCNC(=O)CCCC(=O)N1CCN(Cc2ccccc2)C[C@H]1C CCNC(=O)CC[*:1] C[C@@H]1CN(CCN1C(=O)C[*:1])Cc1ccccc1
O=C(N[C@@H]1CCCCC[C@H]1C(=O)[O-])C1CC1 O=C([O-])[*:1] O=C(N[C@@H]1CCCCC[C@@H]1[*:1])C1CC1
O=C(N[C@@H]1CCCCC[C@H]1C(=O)[O-])C1CC1 C1CC1[*:1] O=C([O-])[C@@H]1CCCCC[C@H]1NC(=O)[*:1]
Cc1c(F)cc(C(=O)NCCNC(=O)c2cccnc2)cc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1c(F)cc(cc1[*:1])C(=O)NCCNC(=O)c1cccnc1
Cc1c(F)cc(C(=O)NCCNC(=O)c2cccnc2)cc1[N+](=O)[O-] c1cncc(c1)[*:1] Cc1c(F)cc(cc1[N+](=O)[O-])C(=O)NCCNC(=O)[*:1]
COc1ccc(CNc2cc(-c3ccccc3)nc3ncnn23)c(OC)c1 c1ccc(cc1)[*:1] COc1ccc(CNc2cc(nc3ncnn23)[*:1])c(c1)OC
COCCc1ccc([C@H](N)C(F)(F)F)cc1 COCC[*:1] N[C@@H](c1ccc(cc1)[*:1])C(F)(F)F
COCCc1ccc([C@H](N)C(F)(F)F)cc1 COC[*:1] N[C@@H](c1ccc(cc1)C[*:1])C(F)(F)F
COCCc1ccc([C@H](N)C(F)(F)F)cc1 FC(F)(F)[*:1] COCCc1ccc(cc1)[C@H](N)[*:1]
CC(C)CCNC(=O)[C@H](C)Oc1ccc(C[NH3+])nc1 CC(C)[*:1] C[C@H](Oc1ccc(C[NH3+])nc1)C(=O)NCC[*:1]
CC(C)CCNC(=O)[C@H](C)Oc1ccc(C[NH3+])nc1 CC(C)C[*:1] C[C@H](Oc1ccc(C[NH3+])nc1)C(=O)NC[*:1]
CC(C)CCNC(=O)[C@H](C)Oc1ccc(C[NH3+])nc1 CC(C)CC[*:1] C[C@H](Oc1ccc(C[NH3+])nc1)C(=O)N[*:1]
Cc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1Cl OCC[*:1] Cc1ccc(cc1Cl)NC(=O)Cn1c(nc(C)c(c1=O)[*:1])-c1ccccc1
Cc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1Cl c1ccc(cc1)[*:1] Cc1ccc(cc1Cl)NC(=O)Cn1c(nc(C)c(CCO)c1=O)[*:1]
Cc1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1Cl Cc1ccc(cc1Cl)[*:1] Cc1nc(-c2ccccc2)n(CC(=O)N[*:1])c(=O)c1CCO
CC[C@@H](C)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 CC[C@@H](C)[*:1] COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(c1)NC(=O)[*:1]
CC[C@@H](C)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 CC[C@@H](C)C(=O)N[*:1] COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(c1)[*:1]
CC[C@@H](C)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 COC(=O)[*:1] CC[C@@H](C)C(=O)Nc1cccc(c1)C(=O)N1CCCC[C@@H]1[*:1]
Cc1ccc(S(=O)(=O)CC(=O)Nc2nnc(C[C@H](C)c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1nnc(C[C@H](C)[*:1])s1
Cc1ccc(S(=O)(=O)CC(=O)Nc2nnc(C[C@H](C)c3ccccc3)s2)cc1 C[C@H](c1ccccc1)[*:1] Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1nnc(C[*:1])s1
Cc1ccc(S(=O)(=O)CC(=O)Nc2nnc(C[C@H](C)c3ccccc3)s2)cc1 C[C@@H](C[*:1])c1ccccc1 Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1nnc(s1)[*:1]
Cc1ccc(S(=O)(=O)CC(=O)Nc2nnc(C[C@H](C)c3ccccc3)s2)cc1 Cc1ccc(cc1)[*:1] C[C@@H](Cc1nnc(NC(=O)CS(=O)(=O)[*:1])s1)c1ccccc1
C[C@H]1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)C1 C1CC1[*:1] C[C@H]1CCC[C@@H](C1)[NH2+]C1CCN(CC1)[*:1]
COCCn1cnnc1SCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 COC[*:1] O=C(CSc1nncn1C[*:1])N1CCC[C@@H]2CCCC[C@@H]21
COCCn1cnnc1SCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 COCC[*:1] O=C(CSc1nncn1[*:1])N1CCC[C@@H]2CCCC[C@@H]21
CCC1CCC([NH+]2CCn3c(nnc3-c3ccccc3)C2)CC1 c1ccc(cc1)[*:1] CCC1CCC(CC1)[NH+]1CCn2c(C1)nnc2[*:1]
O=C(Nc1cccnc1Cl)C(=O)N[C@@H]1CCCCc2ccccc21 Clc1ncccc1[*:1] O=C(N[C@@H]1CCCCc2ccccc21)C(=O)N[*:1]
CC(C)[C@H](C(=O)O[C@H](C)c1nc2cc(Cl)ccc2[nH]1)N1CCCC1=O CC(C)[*:1] C[C@@H](OC(=O)[C@H](N1CCCC1=O)[*:1])c1nc2cc(Cl)ccc2[nH]1
CC(C)[C@H](C(=O)O[C@H](C)c1nc2cc(Cl)ccc2[nH]1)N1CCCC1=O O=C1CCCN1[*:1] CC(C)[C@H](C(=O)O[C@H](C)c1nc2cc(Cl)ccc2[nH]1)[*:1]
COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(C)c3)c2=O)cc1 Cc1cccc(c1)C[*:1] COc1ccc(cc1)-n1c(=O)c2ccccc2n(c1=O)[*:1]
COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(C)c3)c2=O)cc1 COc1ccc(cc1)[*:1] Cc1cccc(c1)Cn1c(=O)n(c(=O)c2ccccc21)[*:1]
COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(C)c3)c2=O)cc1 Cc1cccc(c1)[*:1] COc1ccc(cc1)-n1c(=O)c2ccccc2n(C[*:1])c1=O
Cc1ccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)s1 Cc1ccc(s1)[*:1] C[C@@H]1CN(C[C@@H](C)O1)c1ccc(c[nH+]1)CNC(=O)N[*:1]
Cc1ccc(S(C)(=O)=O)cc1N[C@@H]1CCCC1(C)C CS(=O)(=O)[*:1] Cc1ccc(cc1N[C@@H]1CCCC1(C)C)[*:1]
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccn(C)n1 FC(F)(F)[*:1] C[C@@H](Oc1ccccc1[*:1])C(=O)Nc1ccn(C)n1
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccn(C)n1 Cn1ccc(n1)[*:1] C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[*:1]
C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccnc1 c1cncc(c1)[*:1] C[C@@H](Nc1nc2cc(ccc2[nH]1)[N+](=O)[O-])[*:1]
C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccnc1 O=[N+]([O-])[*:1] C[C@@H](Nc1nc2cc(ccc2[nH]1)[*:1])c1cccnc1
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCC[C@H](C)C3)cc21 C[C@H]1CCCN(C1)C(=O)[*:1] CCC(=O)N1CCc2cc(Br)c(cc21)S(=O)(=O)CC[*:1]
C[C@@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] C[C@@H](OC(=O)c1ccc2NC(=O)CCc2c1)[*:1]
O=C([O-])Cc1ccc(OC[C@H]2Cc3ccccc3S2)cc1 O=C([O-])C[*:1] c1ccc2S[C@@H](COc3ccc(cc3)[*:1])Cc2c1
O=C([O-])Cc1ccc(OC[C@H]2Cc3ccccc3S2)cc1 O=C([O-])[*:1] c1ccc2S[C@@H](COc3ccc(cc3)C[*:1])Cc2c1
COCCN1C[C@H](C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1=O COC[*:1] CN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CC(=O)N(C1)C[*:1]
COCCN1C[C@H](C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1=O COCC[*:1] CN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CC(=O)N(C1)[*:1]
COc1ccccc1C(C)(C)NC(=O)c1cc(C#N)cs1 N#Cc1csc(c1)[*:1] COc1ccccc1C(C)(C)NC(=O)[*:1]
CC[C@H]([NH2+]Cc1cnc(N2CCOCC2)nc1)c1ccc(OC)cc1 COc1ccc(cc1)[*:1] CC[C@H]([NH2+]Cc1cnc(nc1)N1CCOCC1)[*:1]
CC[C@H]([NH2+]Cc1cnc(N2CCOCC2)nc1)c1ccc(OC)cc1 C1CN(CCO1)[*:1] CC[C@H]([NH2+]Cc1cnc(nc1)[*:1])c1ccc(cc1)OC
COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)[C@H]2CCS(=O)(=O)C2)c1 COc1cccc(c1)[*:1] O=C(Nc1cc(ccc1O[*:1])C(F)(F)F)[C@H]1CCS(=O)(=O)C1
COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)[C@H]2CCS(=O)(=O)C2)c1 FC(F)(F)[*:1] COc1cccc(c1)Oc1ccc(cc1NC(=O)[C@H]1CCS(=O)(=O)C1)[*:1]
COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)[C@H]2CCS(=O)(=O)C2)c1 COc1cccc(c1)O[*:1] O=C(Nc1cc(ccc1[*:1])C(F)(F)F)[C@H]1CCS(=O)(=O)C1
CN(C(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1)C1CCCCC1 C1CCC(CC1)[*:1] CN(C(=O)c1ccc(cc1)NC(=O)[C@@H]1Cc2ccccc2O1)[*:1]
C[C@H]1C[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 Fc1cccc(c1)[*:1] C[C@H]1C[C@H]1C(=O)N1CC[NH+](CCC(=O)N[*:1])CC1
CCN1CC(=O)Nc2cc(C(=O)N[C@@H](C)c3ccc(Cl)s3)ccc21 Clc1ccc(s1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[C@@H](C)[*:1]
CCN1CC(=O)Nc2cc(C(=O)N[C@@H](C)c3ccc(Cl)s3)ccc21 C[C@@H](c1ccc(Cl)s1)[*:1] CCN1CC(=O)Nc2cc(ccc21)C(=O)N[*:1]
Cc1cc(C(=O)/C=C/c2ccc(OC(F)F)cc2)n(C)n1 FC(F)[*:1] Cc1cc(C(=O)/C=C/c2ccc(cc2)O[*:1])n(C)n1
Cc1cc(C(=O)/C=C/c2ccc(OC(F)F)cc2)n(C)n1 Cc1cc(n(C)n1)[*:1] O=C(/C=C/c1ccc(cc1)OC(F)F)[*:1]
Cc1cc(C(=O)/C=C/c2ccc(OC(F)F)cc2)n(C)n1 FC(F)O[*:1] Cc1cc(C(=O)/C=C/c2ccc(cc2)[*:1])n(C)n1
CCn1nc(C)c(NC(=O)C[NH+]2CCC(Oc3ccccc3C)CC2)c1C Cc1ccccc1[*:1] CCn1nc(C)c(NC(=O)C[NH+]2CCC(CC2)O[*:1])c1C
CCn1nc(C)c(NC(=O)C[NH+]2CCC(Oc3ccccc3C)CC2)c1C CCn1nc(C)c(c1C)[*:1] Cc1ccccc1OC1CC[NH+](CC1)CC(=O)N[*:1]
CCn1nc(C)c(NC(=O)C[NH+]2CCC(Oc3ccccc3C)CC2)c1C Cc1ccccc1O[*:1] CCn1nc(C)c(NC(=O)C[NH+]2CCC(CC2)[*:1])c1C
O=[N+]([O-])c1ccc(N/N=C/c2c[nH]nc2-c2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1cc(ccc1N/N=C/c1c[nH]nc1-c1ccccc1)[*:1]
O=[N+]([O-])c1ccc(N/N=C/c2c[nH]nc2-c2ccccc2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccc(N/N=C/c2c[nH]nc2-c2ccccc2)c(c1)[*:1]
O=[N+]([O-])c1ccc(N/N=C/c2c[nH]nc2-c2ccccc2)c([N+](=O)[O-])c1 c1ccc(cc1)[*:1] O=[N+]([O-])c1ccc(N/N=C/c2c[nH]nc2[*:1])c(c1)[N+](=O)[O-]
O=c1c(C[NH+]2CCN(c3ccccc3F)CC2)coc2ccc(Cl)cc12 Fc1ccccc1[*:1] O=c1c(coc2ccc(Cl)cc12)C[NH+]1CCN(CC1)[*:1]
COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1F CC(C)[*:1] COC(=O)[C@H](C[*:1])NS(=O)(=O)c1ccc(F)cc1F
COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1F CC(C)C[*:1] COC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1F)[*:1]
COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1F COC(=O)[*:1] CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1F)[*:1]
CN(CC1CC1)C(=O)NCCc1ccc(OC(F)F)cc1 FC(F)O[*:1] CN(CC1CC1)C(=O)NCCc1ccc(cc1)[*:1]
CN(CC1CC1)C(=O)NCCc1ccc(OC(F)F)cc1 FC(F)[*:1] CN(CC1CC1)C(=O)NCCc1ccc(cc1)O[*:1]
CN(CC1CC1)C(=O)NCCc1ccc(OC(F)F)cc1 C1CC1[*:1] CN(C[*:1])C(=O)NCCc1ccc(cc1)OC(F)F
CN(CC1CC1)C(=O)NCCc1ccc(OC(F)F)cc1 C1CC1C[*:1] CN(C(=O)NCCc1ccc(cc1)OC(F)F)[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)Nc1ccc(C)nc1 CCOC(=O)C[*:1] Cc1ccc(cn1)NC(=O)NC[C@H](C)[*:1]
CCOC(=O)C[C@@H](C)CNC(=O)Nc1ccc(C)nc1 CCOC(=O)[*:1] Cc1ccc(cn1)NC(=O)NC[C@H](C)C[*:1]
NC(=O)c1ccc(/C=C/C(=O)N2CCc3ccc(F)cc32)cc1 NC(=O)[*:1] O=C(/C=C/c1ccc(cc1)[*:1])N1CCc2ccc(F)cc21
CC[C@H](O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 CC[C@H](O)[*:1] O=C(COc1ccc(cc1)[*:1])Nc1ccc(Br)cc1
CC[C@H](O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 Brc1ccc(cc1)[*:1] CC[C@H](O)c1ccc(cc1)OCC(=O)N[*:1]
COc1ccncc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C COc1ccncc1[*:1] CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C(=O)N[*:1]
COc1ccncc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C CC(C)CC[*:1] COc1ccncc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1[*:1]
COc1ccncc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C CC(C)C[*:1] COc1ccncc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1C[*:1]
COc1ccncc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CCC(C)C CC(C)[*:1] COc1ccncc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CC[*:1]
CCCC(=O)NCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F CCC[*:1] O=C(CNC(=O)[*:1])N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F
CCCC(=O)NCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F CCCC(=O)NC[*:1] O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)[*:1]
CCCC(=O)NCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F FC(F)(F)[*:1] CCCC(=O)NCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1[*:1]
CCCC(=O)NCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F CCCC(=O)N[*:1] O=C(C[*:1])N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F
CC[NH2+][C@@H](C)c1cccn1Cc1ccccc1[N+](=O)[O-] O=[N+]([O-])[*:1] CC[NH2+][C@@H](C)c1cccn1Cc1ccccc1[*:1]
Cc1cc(C)cc(Oc2cc(C)c(F)cc2[C@@H](C)O)c1 C[C@@H](O)[*:1] Cc1cc(C)cc(c1)Oc1cc(C)c(F)cc1[*:1]
CCCN(Cc1cccnc1)C(=O)c1cccc(=O)[nH]1 CCC[*:1] O=C(c1cccc(=O)[nH]1)N(Cc1cccnc1)[*:1]
CCCN(Cc1cccnc1)C(=O)c1cccc(=O)[nH]1 c1cncc(c1)[*:1] CCCN(C[*:1])C(=O)c1cccc(=O)[nH]1
CC(C)NC(=O)CCCN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C CC(C)NC(=O)C[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC[*:1])C2=O
CC(C)NC(=O)CCCN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C CC(C)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCC(=O)N[*:1])C2=O
CC(C)NC(=O)CCCN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C CC(C)NC(=O)[*:1] CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCC[*:1])C2=O
Cc1ccc(Cc2cnc(NC(=O)CCc3nc[nH]n3)s2)cc1C Cc1ccc(cc1C)[*:1] O=C(CCc1nc[nH]n1)Nc1ncc(C[*:1])s1
C#Cc1cccc(N(CC(=O)NC(=O)NC(C)(C)C)C(C)C)c1 CC(C)(C)[*:1] C#Cc1cccc(c1)N(CC(=O)NC(=O)N[*:1])C(C)C
C#Cc1cccc(N(CC(=O)NC(=O)NC(C)(C)C)C(C)C)c1 CC(C)[*:1] C#Cc1cccc(c1)N(CC(=O)NC(=O)NC(C)(C)C)[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(S(C)(=O)=O)c1 c1ccc(cc1)[*:1] Cc1nc(sc1C(=O)Nc1cccc(c1)S(C)(=O)=O)[*:1]
Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(S(C)(=O)=O)c1 CS(=O)(=O)[*:1] Cc1nc(sc1C(=O)Nc1cccc(c1)[*:1])-c1ccccc1
CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccncc2)Cc2cccnc2)C1(C)C CC(C)=C[*:1] CC1(C)[C@@H](C(=O)N(Cc2ccncc2)Cc2cccnc2)[C@@H]1[*:1]
CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccncc2)Cc2cccnc2)C1(C)C c1cc(ccn1)[*:1] CC(C)=C[C@H]1[C@H](C(=O)N(Cc2cccnc2)C[*:1])C1(C)C
CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccncc2)Cc2cccnc2)C1(C)C c1cc(ccn1)C[*:1] CC(C)=C[C@H]1[C@H](C(=O)N(Cc2cccnc2)[*:1])C1(C)C
CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccncc2)Cc2cccnc2)C1(C)C c1cncc(c1)[*:1] CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccncc2)C[*:1])C1(C)C
CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccncc2)Cc2cccnc2)C1(C)C c1cncc(c1)C[*:1] CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccncc2)[*:1])C1(C)C
CC(C)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1N Clc1ccc(cc1)[*:1] CC(C)S(=O)(=O)c1csc(C(=O)OCC(=O)[*:1])c1N
CC(C)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1N CC(C)[*:1] Nc1c(csc1C(=O)OCC(=O)c1ccc(Cl)cc1)S(=O)(=O)[*:1]
CC(C)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1N CC(C)S(=O)(=O)[*:1] Nc1c(csc1C(=O)OCC(=O)c1ccc(Cl)cc1)[*:1]
C=C(C#N)[C@@]([O-])(c1ncnn1C)C(F)(F)F C=C(C#N)[*:1] Cn1ncnc1[C@]([O-])(C(F)(F)F)[*:1]
C=C(C#N)[C@@]([O-])(c1ncnn1C)C(F)(F)F FC(F)(F)[*:1] C=C(C#N)[C@@]([O-])(c1ncnn1C)[*:1]
CC(C)[C@@H](CNC(=O)C1C(C)(C)C1(C)C)N1CC[NH+](C)CC1 CC1(C)C(C1(C)C)[*:1] CC(C)[C@@H](CNC(=O)[*:1])N1CC[NH+](C)CC1
CC(C)[C@@H](CNC(=O)C1C(C)(C)C1(C)C)N1CC[NH+](C)CC1 CC(C)[*:1] C[NH+]1CCN(CC1)[C@H](CNC(=O)C1C(C)(C)C1(C)C)[*:1]
CC(C)(C)C(=O)N1CCC(c2ccc(F)cc2)CC1 CC(C)(C)[*:1] O=C(N1CCC(CC1)c1ccc(F)cc1)[*:1]
CC(C)c1nc(CNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cs1 CC(C)c1nc(cs1)[*:1] O=C(NC[*:1])Nc1ccc(cc1)-c1cc[nH]n1
CC(C)c1nc(CNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cs1 CC(C)[*:1] O=C(NCc1csc(n1)[*:1])Nc1ccc(cc1)-c1cc[nH]n1
CC(C)c1nc(CNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cs1 c1cc(n[nH]1)[*:1] CC(C)c1nc(cs1)CNC(=O)Nc1ccc(cc1)[*:1]
CCc1ccsc1CNS(=O)(=O)c1ccc(CCCl)cc1 CCc1ccsc1[*:1] O=S(=O)(NC[*:1])c1ccc(cc1)CCCl
CCc1ccsc1CNS(=O)(=O)c1ccc(CCCl)cc1 ClCC[*:1] CCc1ccsc1CNS(=O)(=O)c1ccc(cc1)[*:1]
Cc1noc(C)c1[C@H](C)CC(=O)N1CCOC[C@H]1C1CC1 Cc1noc(C)c1[*:1] C[C@H](CC(=O)N1CCOC[C@H]1C1CC1)[*:1]
Cc1noc(C)c1[C@H](C)CC(=O)N1CCOC[C@H]1C1CC1 C1CC1[*:1] Cc1noc(C)c1[C@H](C)CC(=O)N1CCOC[C@@H]1[*:1]
Cc1nc(SCC(=O)Nc2ccccc2O)n(-c2ccccc2)c1C Oc1ccccc1[*:1] Cc1nc(SCC(=O)N[*:1])n(-c2ccccc2)c1C
Cc1nc(SCC(=O)Nc2ccccc2O)n(-c2ccccc2)c1C c1ccc(cc1)[*:1] Cc1nc(SCC(=O)Nc2ccccc2O)n(c1C)[*:1]
Cc1cc(CN(C)Cc2cc(=O)n3c(C)csc3[nH+]2)no1 Cc1cc(C[*:1])no1 Cc1csc2[nH+]c(cc(=O)n12)CN(C)[*:1]
Cc1cc(CN(C)Cc2cc(=O)n3c(C)csc3[nH+]2)no1 Cc1cc(no1)[*:1] Cc1csc2[nH+]c(cc(=O)n12)CN(C)C[*:1]
CC(C)(C)OC(=O)N1CC(NCC(F)(F)F)(C(N)=O)C1 FC(F)(F)[*:1] CC(C)(C)OC(=O)N1CC(C1)(NC[*:1])C(N)=O
CC(C)(C)OC(=O)N1CC(NCC(F)(F)F)(C(N)=O)C1 FC(F)(F)CN[*:1] CC(C)(C)OC(=O)N1CC(C1)(C(N)=O)[*:1]
CC(C)(C)OC(=O)N1CC(NCC(F)(F)F)(C(N)=O)C1 CC(C)(C)[*:1] NC(=O)C1(CN(C1)C(=O)O[*:1])NCC(F)(F)F
CC(C)(C)OC(=O)N1CC(NCC(F)(F)F)(C(N)=O)C1 NC(=O)[*:1] CC(C)(C)OC(=O)N1CC(C1)(NCC(F)(F)F)[*:1]
CC(C)(C)OC(=O)N1CC(NCC(F)(F)F)(C(N)=O)C1 FC(F)(F)C[*:1] CC(C)(C)OC(=O)N1CC(C1)(N[*:1])C(N)=O
C[C@H](NC(=O)CNc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 FC(F)(F)[*:1] C[C@H](NC(=O)CNc1ccc(cc1)[*:1])c1ccc(Cl)cc1
C[C@H](NC(=O)CNc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] C[C@H](NC(=O)CNc1ccc(cc1)C(F)(F)F)[*:1]
Fc1ccc(CN2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)C[*:1] Fc1ccc(cc1)-c1nccnc1[C@@H]1CCCN(C1)[*:1]
Fc1ccc(CN2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] Fc1ccc(cc1)CN1CCC[C@H](C1)c1nccnc1[*:1]
Fc1ccc(CN2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 Fc1ccc(cc1)[*:1] Fc1ccc(cc1)-c1nccnc1[C@@H]1CCCN(C1)C[*:1]
COc1cccc(-c2cc(C(N)=O)on2)c1 NC(=O)[*:1] COc1cccc(c1)-c1cc(on1)[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(Cl)s3)nnc12 O=C(c1ccc(Cl)s1)[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)SC[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(Cl)s3)nnc12 O=C(C[*:1])c1ccc(Cl)s1 C=CCn1c(=O)c2ccccc2n2c(nnc12)S[*:1]
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(Cl)s3)nnc12 C=CC[*:1] O=C(CSc1nnc2n(c(=O)c3ccccc3n12)[*:1])c1ccc(Cl)s1
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(Cl)s3)nnc12 Clc1ccc(s1)[*:1] C=CCn1c(=O)c2ccccc2n2c(nnc12)SCC(=O)[*:1]
CC(=O)Nc1cc(C(=O)O[C@H](C)c2ccccc2N(C)C)ccc1F CC(=O)N[*:1] C[C@@H](OC(=O)c1ccc(F)c(c1)[*:1])c1ccccc1N(C)C
CC(=O)Nc1cc(C(=O)O[C@H](C)c2ccccc2N(C)C)ccc1F CN(C)[*:1] CC(=O)Nc1cc(ccc1F)C(=O)O[C@H](C)c1ccccc1[*:1]
O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)C1(n2cnnn2)CCCCC1 c1ccc(cc1)[*:1] O=C(N1CCN(CC1)C(c1ccccc1)[*:1])C1(CCCCC1)n1cnnn1
CCCN1CC(=O)N(C[C@@H](O)C[NH2+]C)CC1=O CCC[*:1] C[NH2+]C[C@H](O)CN1CC(=O)N(CC1=O)[*:1]
CC(C)NC(=O)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)S[*:1] CC(C)NC(=O)NNC(=O)[C@@H](c1ccccc1)[*:1]
CC(C)NC(=O)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)NC(=O)NNC(=O)[C@@H](Sc1ccccc1)[*:1]
CC(C)NC(=O)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 CC(C)[*:1] O=C(NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)N[*:1]
CC(C)NC(=O)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(C)NC(=O)NNC(=O)[C@@H](S[*:1])c1ccccc1
CCCCS(=O)(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 CN(C)[*:1] CCCCS(=O)(=O)N1CCN(CC1)c1cc(nc(C)n1)[*:1]
CCCCS(=O)(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 CCCC[*:1] Cc1nc(cc(n1)N1CCN(CC1)S(=O)(=O)[*:1])N(C)C
CCCCS(=O)(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 CCC[*:1] Cc1nc(cc(n1)N1CCN(CC1)S(=O)(=O)C[*:1])N(C)C
O=C(CCc1nc(-c2ncccn2)no1)NCCc1nc2c(s1)CCCC2 C1CCc2sc(nc2C1)[*:1] O=C(CCc1nc(no1)-c1ncccn1)NCC[*:1]
O=C(CCc1nc(-c2ncccn2)no1)NCCc1nc2c(s1)CCCC2 c1cnc(nc1)[*:1] O=C(CCc1nc(no1)[*:1])NCCc1nc2CCCCc2s1
CCc1ccc(N2C[C@H](C(=O)NCCc3ccccn3)CC2=O)cc1 c1ccc(CC[*:1])nc1 CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N[*:1]
CCc1ccc(N2C[C@H](C(=O)NCCc3ccccn3)CC2=O)cc1 CCc1ccc(cc1)[*:1] O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(C1)[*:1]
CCc1ccc(N2C[C@H](C(=O)NCCc3ccccn3)CC2=O)cc1 c1ccc(C[*:1])nc1 CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[*:1]
CCc1ccc(N2C[C@H](C(=O)NCCc3ccccn3)CC2=O)cc1 c1ccc(nc1)[*:1] CCc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCC[*:1]
CCSc1cncc(N[C@H](COC)c2ccco2)n1 COC[*:1] CCSc1cncc(n1)N[C@H](c1ccco1)[*:1]
CCSc1cncc(N[C@H](COC)c2ccco2)n1 CCS[*:1] COC[C@@H](Nc1cncc(n1)[*:1])c1ccco1
CCSc1cncc(N[C@H](COC)c2ccco2)n1 c1coc(c1)[*:1] CCSc1cncc(n1)N[C@H](COC)[*:1]
Cc1occc1CNC(=O)N(C)Cc1nc2c(s1)CCCC2 Cc1occc1C[*:1] CN(Cc1nc2CCCCc2s1)C(=O)N[*:1]
Cc1occc1CNC(=O)N(C)Cc1nc2c(s1)CCCC2 Cc1occc1[*:1] CN(Cc1nc2CCCCc2s1)C(=O)NC[*:1]
CC(C)(C)[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccccc1 Nc1ccc(F)c(c1)[*:1] CC(C)(C)[C@H]([NH2+]CCC(=O)N[*:1])c1ccccc1
CC(C)(C)[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccccc1 c1ccc(cc1)[*:1] CC(C)(C)[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)[*:1]
CC(C)(C)[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccccc1 CC(C)(C)[*:1] Nc1ccc(F)c(c1)NC(=O)CC[NH2+][C@H](c1ccccc1)[*:1]
CCCn1cc(C(=O)N2CCNC[C@H]2C(=O)Nc2ccc(C)nc2)c(C)n1 CCCn1cc(c(C)n1)[*:1] Cc1ccc(cn1)NC(=O)[C@@H]1CNCCN1C(=O)[*:1]
CCCn1cc(C(=O)N2CCNC[C@H]2C(=O)Nc2ccc(C)nc2)c(C)n1 Cc1ccc(cn1)[*:1] CCCn1cc(C(=O)N2CCNC[C@H]2C(=O)N[*:1])c(C)n1
CCCn1cc(C(=O)N2CCNC[C@H]2C(=O)Nc2ccc(C)nc2)c(C)n1 CCC[*:1] Cc1ccc(cn1)NC(=O)[C@@H]1CNCCN1C(=O)c1cn(nc1C)[*:1]
CC1CCC2(CC1)NC(=O)N(NC(=O)CN1C(=O)NC(c3ccccc3)(c3ccccc3)C1=O)C2=O c1ccc(cc1)[*:1] CC1CCC2(CC1)NC(=O)N(NC(=O)CN1C(=O)NC(C1=O)(c1ccccc1)[*:1])C2=O
O=C(NC[C@H](O)c1ccsc1)c1scnc1C1CC1 c1cc(cs1)[*:1] O=C(NC[C@H](O)[*:1])c1scnc1C1CC1
O=C(NC[C@H](O)c1ccsc1)c1scnc1C1CC1 C1CC1[*:1] O=C(NC[C@H](O)c1ccsc1)c1scnc1[*:1]
Cn1nc(C(=O)Nc2cccc(F)c2)c(=O)c2cc(Cl)ccc21 Fc1cccc(c1)[*:1] Cn1nc(C(=O)N[*:1])c(=O)c2cc(Cl)ccc21
C=C(C)COCCN[C@H](C)c1cnc(C)nc1C C=C(C)C[*:1] Cc1ncc(c(C)n1)[C@@H](C)NCCO[*:1]
C=C(C)COCCN[C@H](C)c1cnc(C)nc1C C=C(C)[*:1] Cc1ncc(c(C)n1)[C@@H](C)NCCOC[*:1]
C=C(C)COCCN[C@H](C)c1cnc(C)nc1C C=C(C)COC[*:1] Cc1ncc(c(C)n1)[C@@H](C)NC[*:1]
C=C(C)COCCN[C@H](C)c1cnc(C)nc1C C=C(C)CO[*:1] Cc1ncc(c(C)n1)[C@@H](C)NCC[*:1]
C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1nc(=O)c2sccc2[nH]1 Clc1ccc(cc1)[*:1] C[C@H](C[*:1])N(C)Cc1nc(=O)c2sccc2[nH]1
CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C(C)C)ccc21 c1cc2OCCOc2cc1[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[C@H](C(=O)N[*:1])C(C)C
CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C(C)C)ccc21 CC(C)[*:1] CC(=O)N1CCc2cc(ccc21)S(=O)(=O)N[C@H](C(=O)Nc1ccc2OCCOc2c1)[*:1]
CCn1ncc(C[NH+]2CCC(c3nnsc3-c3cc(C)no3)CC2)c1C Cc1cc(on1)[*:1] CCn1ncc(C[NH+]2CCC(CC2)c2nnsc2[*:1])c1C
CCn1ncc(C[NH+]2CCC(c3nnsc3-c3cc(C)no3)CC2)c1C CCn1ncc(c1C)[*:1] Cc1cc(on1)-c1snnc1C1CC[NH+](CC1)C[*:1]
CC(C)c1[nH+]ccn1CCC(=O)N1CCOC[C@@H]1c1ccccc1 CC(C)[*:1] O=C(CCn1cc[nH+]c1[*:1])N1CCOC[C@@H]1c1ccccc1
CC(C)c1[nH+]ccn1CCC(=O)N1CCOC[C@@H]1c1ccccc1 c1ccc(cc1)[*:1] CC(C)c1[nH+]ccn1CCC(=O)N1CCOC[C@H]1[*:1]
CCNc1cc[nH+]c(CN2CCC[C@H](OCC)C2)c1 CCO[*:1] CCNc1cc[nH+]c(c1)CN1CCC[C@H](C1)[*:1]
CCNc1cc[nH+]c(CN2CCC[C@H](OCC)C2)c1 CCN[*:1] CCO[C@H]1CCCN(Cc2cc(cc[nH+]2)[*:1])C1
CCCC(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 O=[N+]([O-])[*:1] CCCC(=O)O[C@@H](C)c1ccc(cc1)[*:1]
CCCC(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 CCC[*:1] C[C@H](OC(=O)[*:1])c1ccc(cc1)[N+](=O)[O-]
CCC(O)(CC)CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1 Cc1csc(n1)[*:1] CCC(O)(CC)CNC(=O)N[C@@H](C1CC1)[*:1]
CCC(O)(CC)CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1 CCC(O)(CC)C[*:1] Cc1csc(n1)[C@H](NC(=O)N[*:1])C1CC1
CCC(O)(CC)CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1 CCC(O)(CC)[*:1] Cc1csc(n1)[C@H](NC(=O)NC[*:1])C1CC1
CCC(O)(CC)CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1 C1CC1[*:1] CCC(O)(CC)CNC(=O)N[C@@H](c1nc(C)cs1)[*:1]
CCCCN(CC(F)(F)F)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C C1CC1[*:1] CCCCN(CC(F)(F)F)C(=O)c1sc2nc(nc(C)c2c1C)[*:1]
CCCCN(CC(F)(F)F)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C FC(F)(F)[*:1] CCCCN(C[*:1])C(=O)c1sc2nc(nc(C)c2c1C)C1CC1
CCCCN(CC(F)(F)F)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C CCC[*:1] Cc1nc(nc2sc(C(=O)N(CC(F)(F)F)C[*:1])c(C)c12)C1CC1
CCCCN(CC(F)(F)F)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C CCCC[*:1] Cc1nc(nc2sc(C(=O)N(CC(F)(F)F)[*:1])c(C)c12)C1CC1
CCCCN(CC(F)(F)F)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C FC(F)(F)C[*:1] CCCCN(C(=O)c1sc2nc(nc(C)c2c1C)C1CC1)[*:1]
COC[C@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 COC[*:1] Cc1ccc(C)c(c1)NC(=O)[C@@H](C)N1CC[NH+](CC1)[C@@H](C)[*:1]
COC[C@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 Cc1ccc(C)c(c1)[*:1] COC[C@H](C)[NH+]1CCN(CC1)[C@H](C)C(=O)N[*:1]
CCOCCNC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 CCO[*:1] O=C(NCC[*:1])N1CCCC[C@H]1c1nc2ccccc2s1
CCOCCNC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 CCOC[*:1] O=C(NC[*:1])N1CCCC[C@H]1c1nc2ccccc2s1
CCOCCNC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 CCOCC[*:1] O=C(N[*:1])N1CCCC[C@H]1c1nc2ccccc2s1
CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2ccccc2O)CC1)c1ccco1 c1coc(c1)[*:1] CC[NH+](CC)[C@H](CNC(=O)N1CCN(CC1)c1ccccc1O)[*:1]
CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2ccccc2O)CC1)c1ccco1 Oc1ccccc1[*:1] CC[NH+](CC)[C@H](CNC(=O)N1CCN(CC1)[*:1])c1ccco1
COC(C)(C)CNC(=O)CS(=O)(=O)NC1CCC(C)CC1 CC1CCC(CC1)[*:1] COC(C)(C)CNC(=O)CS(=O)(=O)N[*:1]
COC(C)(C)CNC(=O)CS(=O)(=O)NC1CCC(C)CC1 COC(C)(C)[*:1] CC1CCC(CC1)NS(=O)(=O)CC(=O)NC[*:1]
COC(C)(C)CNC(=O)CS(=O)(=O)NC1CCC(C)CC1 COC(C)(C)C[*:1] CC1CCC(CC1)NS(=O)(=O)CC(=O)N[*:1]
CC(=O)Nc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)cc1 O=C(C[*:1])N1CCCC1 CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C[*:1]
CC(=O)Nc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)cc1 CC(=O)N[*:1] O=C(CC[C@H]1CCCN(C1)C(=O)c1ccc(cc1)[*:1])N1CCCC1
CC(=O)Nc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)cc1 O=C(N1CCCC1)[*:1] CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](CC[*:1])C1
CC(=O)Nc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)cc1 O=C(CC[*:1])N1CCCC1 CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)[*:1]
COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)N[C@H](C)C(=O)N1CCCC1)CC2 Fc1ccc(cc1)[*:1] COc1cc2CCN(C(=O)N[C@H](C)C(=O)N3CCCC3)[C@@H](c2cc1OC)[*:1]
COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)N[C@H](C)C(=O)N1CCCC1)CC2 O=C(N1CCCC1)[*:1] COc1cc2CCN(C(=O)N[C@H](C)[*:1])[C@@H](c3ccc(F)cc3)c2cc1OC
O=C(c1cccc2c1OCCO2)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)C[*:1] O=C(c1cccc2OCCOc21)N([C@@H]1CCSC1)[*:1]
O=C(c1cccc2c1OCCO2)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1C[C@H](CS1)[*:1] O=C(c1cccc2OCCOc21)N(C[C@H]1CCCO1)[*:1]
O=C(c1cccc2c1OCCO2)N(C[C@H]1CCCO1)[C@@H]1CCSC1 C1CO[C@H](C1)[*:1] O=C(c1cccc2OCCOc21)N(C[*:1])[C@@H]1CCSC1
Cc1cc(-c2csc(CC#N)n2)c(C)n1Cc1ccc2c(c1)OCO2 N#CCc1nc(cs1)[*:1] Cc1cc(c(C)n1Cc1ccc2OCOc2c1)[*:1]
Cc1cc(-c2csc(CC#N)n2)c(C)n1Cc1ccc2c(c1)OCO2 N#CC[*:1] Cc1cc(-c2csc(n2)[*:1])c(C)n1Cc1ccc2OCOc2c1
CCOC(=O)c1sc(NC(=O)COc2ccccc2I)cc1C Ic1ccccc1[*:1] CCOC(=O)c1sc(cc1C)NC(=O)CO[*:1]
CCOC(=O)c1sc(NC(=O)COc2ccccc2I)cc1C CCOC(=O)[*:1] Cc1cc(NC(=O)COc2ccccc2I)sc1[*:1]
O=C(CSc1nnc(-c2cccs2)o1)NC(=O)NCc1ccco1 c1coc(c1)C[*:1] O=C(CSc1nnc(o1)-c1cccs1)NC(=O)N[*:1]
O=C(CSc1nnc(-c2cccs2)o1)NC(=O)NCc1ccco1 c1coc(c1)[*:1] O=C(CSc1nnc(o1)-c1cccs1)NC(=O)NC[*:1]
O=C(CSc1nnc(-c2cccs2)o1)NC(=O)NCc1ccco1 c1csc(c1)[*:1] O=C(CSc1nnc(o1)[*:1])NC(=O)NCc1ccco1
Cc1csc(CCC[NH2+]C[C@@H]2CCC[C@@H](C)C2)n1 Cc1csc(n1)[*:1] C[C@@H]1CCC[C@@H](C[NH2+]CCC[*:1])C1
Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C(C)(C)C)n1 Clc1cccc(c1Cl)[*:1] Cn1cc(/C=C(/C#N)C(=O)N[*:1])c(n1)C(C)(C)C
Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C(C)(C)C)n1 CC(C)(C)[*:1] Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(n1)[*:1]
S=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2)CC1 c1ccc(cc1)[*:1] S=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(CC1)[*:1]
CC(C)N1C(=O)[C@@](NC(=O)c2ccccc2Cl)(C(F)(F)F)N=C1c1ccccc1 c1ccc(cc1)[*:1] CC(C)N1C(=O)[C@@](N=C1[*:1])(NC(=O)c1ccccc1Cl)C(F)(F)F
CC(C)N1C(=O)[C@@](NC(=O)c2ccccc2Cl)(C(F)(F)F)N=C1c1ccccc1 CC(C)[*:1] O=C(N[C@@]1(N=C(c2ccccc2)N(C1=O)[*:1])C(F)(F)F)c1ccccc1Cl
CC(C)N1C(=O)[C@@](NC(=O)c2ccccc2Cl)(C(F)(F)F)N=C1c1ccccc1 FC(F)(F)[*:1] CC(C)N1C(=O)[C@](N=C1c1ccccc1)(NC(=O)c1ccccc1Cl)[*:1]
CC(C)N1C(=O)[C@@](NC(=O)c2ccccc2Cl)(C(F)(F)F)N=C1c1ccccc1 Clc1ccccc1[*:1] CC(C)N1C(=O)[C@@](N=C1c1ccccc1)(NC(=O)[*:1])C(F)(F)F
Cc1nc(-c2cccs2)sc1-c1ccc(=O)n(CCNC(=O)c2c(F)cccc2F)n1 Fc1cccc(F)c1[*:1] Cc1nc(sc1-c1ccc(=O)n(CCNC(=O)[*:1])n1)-c1cccs1
Cc1nc(-c2cccs2)sc1-c1ccc(=O)n(CCNC(=O)c2c(F)cccc2F)n1 c1csc(c1)[*:1] Cc1nc(sc1-c1ccc(=O)n(CCNC(=O)c2c(F)cccc2F)n1)[*:1]
COC(=O)c1ccc(N)c(C)c1 COC(=O)[*:1] Cc1cc(ccc1N)[*:1]
COc1cccc(CCC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)[*:1] COc1cccc(c1)CCC(=O)N1CCC(CC1)OC[*:1]
COc1cccc(CCC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 COc1cccc(c1)C[*:1] O=C(C[*:1])N1CCC(CC1)OCc1ccc(F)cc1
COc1cccc(CCC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)C[*:1] COc1cccc(c1)CCC(=O)N1CCC(CC1)O[*:1]
COc1cccc(CCC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 Fc1ccc(cc1)CO[*:1] COc1cccc(c1)CCC(=O)N1CCC(CC1)[*:1]
COc1cccc(CCC(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 COc1cccc(c1)[*:1] O=C(CC[*:1])N1CCC(CC1)OCc1ccc(F)cc1
COc1cccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 O=C([O-])C[*:1] COc1cccc(c1)[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O)[*:1]
COc1cccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 O=C([O-])[*:1] COc1cccc(c1)[C@H](C[*:1])NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O
COc1cccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 COc1cccc(c1)[*:1] CC(=O)N1c2ccc(cc2C[C@H]1C)S(=O)(=O)N[C@@H](CC(=O)[O-])[*:1]
C/C=C/Cn1c(=O)c2c(nc3n2CCN3c2cc(OC)ccc2OC)n(C)c1=O C/C=C/C[*:1] COc1ccc(OC)c(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)[*:1]
C/C=C/Cn1c(=O)c2c(nc3n2CCN3c2cc(OC)ccc2OC)n(C)c1=O CC=C[*:1] COc1ccc(OC)c(c1)N1CCn2c1nc1c2c(=O)n(C[*:1])c(=O)n1C
Cc1c(Cl)cccc1NC(=O)CCNC(=O)N1C[C@@H](C)S[C@H](C)C1 Cc1c(Cl)cccc1[*:1] C[C@@H]1CN(C[C@@H](C)S1)C(=O)NCCC(=O)N[*:1]
CC[C@@]1(C)NC(=O)N(N/C=C2/C(=O)N(c3ccc(Cl)cn3)C(=O)c3ccccc32)C1=O Clc1ccc(nc1)[*:1] CC[C@@]1(C)NC(=O)N(N/C=C2/C(=O)N(C(=O)c3ccccc32)[*:1])C1=O
NC(=O)c1ccc(OC(=O)c2ccccc2I)cc1 NC(=O)[*:1] O=C(Oc1ccc(cc1)[*:1])c1ccccc1I
CS(=O)(=O)C[C@H](NC(=O)NC1(CCO)CCC1)c1ccccc1 CS(=O)(=O)C[*:1] O=C(N[C@H](c1ccccc1)[*:1])NC1(CCO)CCC1
CS(=O)(=O)C[C@H](NC(=O)NC1(CCO)CCC1)c1ccccc1 CS(=O)(=O)[*:1] O=C(N[C@@H](C[*:1])c1ccccc1)NC1(CCO)CCC1
CS(=O)(=O)C[C@H](NC(=O)NC1(CCO)CCC1)c1ccccc1 c1ccc(cc1)[*:1] CS(=O)(=O)C[C@H](NC(=O)NC1(CCO)CCC1)[*:1]
CS(=O)(=O)C[C@H](NC(=O)NC1(CCO)CCC1)c1ccccc1 OCCC1(CCC1)[*:1] CS(=O)(=O)C[C@H](NC(=O)N[*:1])c1ccccc1
CS(=O)(=O)C[C@H](NC(=O)NC1(CCO)CCC1)c1ccccc1 OCC[*:1] CS(=O)(=O)C[C@H](NC(=O)NC1(CCC1)[*:1])c1ccccc1
Cc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)cc1 Cc1ccc(cc1)C[*:1] O=C(N[*:1])c1cc(nc2ccc(Cl)cc12)-c1cccnc1
Cc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)cc1 c1cncc(c1)[*:1] Cc1ccc(cc1)CNC(=O)c1cc(nc2ccc(Cl)cc12)[*:1]
Cc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)cc1 Cc1ccc(cc1)[*:1] O=C(NC[*:1])c1cc(nc2ccc(Cl)cc12)-c1cccnc1
CCn1nc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)c2cc(Cl)ccc21 Clc1ccc(cc1)[*:1] CCn1nc(C(=O)N2CCN(CC2)C[*:1])c(=O)c2cc(Cl)ccc21
CCn1nc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)c2cc(Cl)ccc21 Clc1ccc(cc1)C[*:1] CCn1nc(C(=O)N2CCN(CC2)[*:1])c(=O)c2cc(Cl)ccc21
COc1ccccc1-c1cc2c(=O)n(Cc3ccccc3F)ccn2n1 Fc1ccccc1C[*:1] COc1ccccc1-c1cc2c(=O)n(ccn2n1)[*:1]
COc1ccccc1-c1cc2c(=O)n(Cc3ccccc3F)ccn2n1 Fc1ccccc1[*:1] COc1ccccc1-c1cc2c(=O)n(ccn2n1)C[*:1]
COc1ccccc1-c1cc2c(=O)n(Cc3ccccc3F)ccn2n1 COc1ccccc1[*:1] O=c1c2cc(nn2ccn1Cc1ccccc1F)[*:1]
C[C@@H](CCCO)Nc1ccc(OC(F)F)cn1 OCC[*:1] C[C@@H](C[*:1])Nc1ccc(cn1)OC(F)F
C[C@@H](CCCO)Nc1ccc(OC(F)F)cn1 FC(F)[*:1] C[C@@H](CCCO)Nc1ccc(cn1)O[*:1]
C[C@@H](CCCO)Nc1ccc(OC(F)F)cn1 OCCC[*:1] C[C@@H](Nc1ccc(cn1)OC(F)F)[*:1]
C[C@@H](CCCO)Nc1ccc(OC(F)F)cn1 FC(F)O[*:1] C[C@@H](CCCO)Nc1ccc(cn1)[*:1]
C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N1CCCc2ccccc21 C1CO[C@@H](C1)C[*:1] C[C@H](Sc1nc2ccccc2c(=O)n1[*:1])C(=O)N1CCCc2ccccc21
Cc1cc(N[C@H](C)CCC(C)C)ncc1[N+](=O)[O-] CC(C)CC[*:1] Cc1cc(ncc1[N+](=O)[O-])N[C@H](C)[*:1]
Cc1cc(N[C@H](C)CCC(C)C)ncc1[N+](=O)[O-] CC(C)[*:1] Cc1cc(ncc1[N+](=O)[O-])N[C@H](C)CC[*:1]
Cc1cc(N[C@H](C)CCC(C)C)ncc1[N+](=O)[O-] CC(C)C[*:1] Cc1cc(ncc1[N+](=O)[O-])N[C@H](C)C[*:1]
Cc1cc(N[C@H](C)CCC(C)C)ncc1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1cc(ncc1[*:1])N[C@H](C)CCC(C)C
Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C)s3)sc2c1 Cc1ccc(s1)[*:1] Cc1ccc2nc([N-]S(=O)(=O)[*:1])sc2c1
COc1ccc(NC(=O)CSc2nnc(C)n2N)c([N+](=O)[O-])c1 Cc1nnc(n1N)[*:1] COc1ccc(NC(=O)CS[*:1])c(c1)[N+](=O)[O-]
COc1ccc(NC(=O)CSc2nnc(C)n2N)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] COc1ccc(NC(=O)CSc2nnc(C)n2N)c(c1)[*:1]
C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(C[C@H](O)c2ccccc2Cl)C1=O Fc1ccc(cc1F)[*:1] C[C@@]1(NC(=O)N(C[C@H](O)c2ccccc2Cl)C1=O)[*:1]
C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(C[C@H](O)c2ccccc2Cl)C1=O Clc1ccccc1[*:1] C[C@@]1(NC(=O)N(C[C@H](O)[*:1])C1=O)c1ccc(F)c(F)c1
Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCC(F)(F)F)c(C)c1C FC(F)(F)C[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NCCC(=O)N[*:1]
Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCC(F)(F)F)c(C)c1C O=C(NCC(F)(F)F)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NCC[*:1]
Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCC(F)(F)F)c(C)c1C FC(F)(F)[*:1] Cc1c(C)c(C)c(c(C)c1C)S(=O)(=O)NCCC(=O)NC[*:1]
O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl O=[N+]([O-])[*:1] O=C(Nc1ccc(I)cc1)c1cc(cc(c1Cl)[*:1])[N+](=O)[O-]
O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl O=[N+]([O-])[*:1] O=C(Nc1ccc(I)cc1)c1cc(cc(c1Cl)[N+](=O)[O-])[*:1]
O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl Ic1ccc(cc1)[*:1] O=C(N[*:1])c1cc(cc(c1Cl)[N+](=O)[O-])[N+](=O)[O-]
C[C@H]1CCN(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C[C@H]1O c1ccc(cc1)[*:1] C[C@H]1CCN(C[C@H]1O)C(=O)NCC(=O)N1CCN(CC1)[*:1]
C[C@@H]1CCc2c(sc(NC(=O)COC(=O)CCc3c[nH]c4ccccc34)c2C#N)C1 c1ccc2c(c[nH]c2c1)[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)COC(=O)CC[*:1])c2C#N
C[C@@H]1CCc2c(sc(NC(=O)COC(=O)CCc3c[nH]c4ccccc34)c2C#N)C1 c1ccc2c(c[nH]c2c1)C[*:1] C[C@@H]1CCc2c(C1)sc(NC(=O)COC(=O)C[*:1])c2C#N
COc1ccc(OC)c(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3ncccc32)c1 Clc1ccc(cc1)[*:1] COc1ccc(OC)c(c1)NC(=O)Cn1c(=O)n(C[*:1])c(=O)c2ncccc21
COc1ccc(OC)c(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3ncccc32)c1 Clc1ccc(cc1)C[*:1] COc1ccc(OC)c(c1)NC(=O)Cn1c(=O)n(c(=O)c2ncccc21)[*:1]
COc1ccc(OC)c(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3ncccc32)c1 COc1ccc(OC)c(c1)[*:1] O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)N[*:1]
CC(C)[C@@H](NC(=O)c1ccc(N2CCCC2)c(F)c1)c1ccccn1 c1ccc(nc1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(c(F)c1)N1CCCC1)[*:1]
CC(C)[C@@H](NC(=O)c1ccc(N2CCCC2)c(F)c1)c1ccccn1 C1CCN(C1)[*:1] CC(C)[C@@H](NC(=O)c1ccc(c(F)c1)[*:1])c1ccccn1
CC(C)[C@@H](NC(=O)c1ccc(N2CCCC2)c(F)c1)c1ccccn1 CC(C)[*:1] O=C(N[C@@H](c1ccccn1)[*:1])c1ccc(c(F)c1)N1CCCC1
C[C@H](CC1CCCC1)C(=O)NCCNC(=O)c1ccccc1 C1CCC(C1)[*:1] C[C@H](C[*:1])C(=O)NCCNC(=O)c1ccccc1
C[C@H](CC1CCCC1)C(=O)NCCNC(=O)c1ccccc1 c1ccc(cc1)[*:1] C[C@H](CC1CCCC1)C(=O)NCCNC(=O)[*:1]
C[C@H](CC1CCCC1)C(=O)NCCNC(=O)c1ccccc1 C1CCC(C1)C[*:1] C[C@H](C(=O)NCCNC(=O)c1ccccc1)[*:1]
CC(=O)OCC(c1ccccc1)c1ccccc1 CC(=O)OC[*:1] c1ccc(cc1)C(c1ccccc1)[*:1]
CC(=O)OCC(c1ccccc1)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)OCC(c1ccccc1)[*:1]
CC(=O)OCC(c1ccccc1)c1ccccc1 CC(=O)O[*:1] c1ccc(cc1)C(C[*:1])c1ccccc1
CCC(=O)N1C[C@H](C(=O)NCc2ccc(F)cc2)[C@H](c2cccc(OC)c2OC)C1 COc1cccc(c1OC)[*:1] CCC(=O)N1C[C@H](C(=O)NCc2ccc(F)cc2)[C@H](C1)[*:1]
CCC(=O)N1C[C@H](C(=O)NCc2ccc(F)cc2)[C@H](c2cccc(OC)c2OC)C1 Fc1ccc(cc1)C[*:1] CCC(=O)N1C[C@H](C(=O)N[*:1])[C@@H](C1)c1cccc(OC)c1OC
CCC(=O)N1C[C@H](C(=O)NCc2ccc(F)cc2)[C@H](c2cccc(OC)c2OC)C1 Fc1ccc(cc1)[*:1] CCC(=O)N1C[C@H](C(=O)NC[*:1])[C@@H](C1)c1cccc(OC)c1OC
CCN1C(=O)c2ccccc2N[C@@H]1c1ccco1 c1coc(c1)[*:1] CCN1C(=O)c2ccccc2N[C@H]1[*:1]
CCCc1ccc(N2CCC(=O)N3CCC[C@@H]3C2=O)cc1 CCC[*:1] O=C1[C@H]2CCCN2C(=O)CCN1c1ccc(cc1)[*:1]
C=CCN(CCO)c1ccc(C#N)cn1 OCC[*:1] C=CCN(c1ccc(C#N)cn1)[*:1]
C=CCN(CCO)c1ccc(C#N)cn1 C=CC[*:1] N#Cc1ccc(nc1)N(CCO)[*:1]
CCN(Cc1ccoc1)C(=O)c1ncccc1C(F)(F)F c1cc(co1)[*:1] CCN(C[*:1])C(=O)c1ncccc1C(F)(F)F
CCN(Cc1ccoc1)C(=O)c1ncccc1C(F)(F)F c1cc(co1)C[*:1] CCN(C(=O)c1ncccc1C(F)(F)F)[*:1]
CCN(Cc1ccoc1)C(=O)c1ncccc1C(F)(F)F FC(F)(F)[*:1] CCN(Cc1ccoc1)C(=O)c1ncccc1[*:1]
CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccccc2Cl)o1 Clc1ccccc1[*:1] CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(o1)[*:1]
CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccccc2Cl)o1 CC(C)[*:1] OC1C[C@@H](c2ccc(o2)-c2ccccc2Cl)c2cnn(c2N=1)[*:1]
C[C@H](NC(=O)NCCc1ccccn1)c1ccc(F)cc1Cl c1ccc(C[*:1])nc1 C[C@H](NC(=O)NC[*:1])c1ccc(F)cc1Cl
C[C@H](NC(=O)NCCc1ccccn1)c1ccc(F)cc1Cl c1ccc(nc1)[*:1] C[C@H](NC(=O)NCC[*:1])c1ccc(F)cc1Cl
C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccncc1 c1cc(ccn1)[*:1] C[C@@H](CCc1cccc(F)c1)C(=O)N[*:1]
O=C(/C=C/c1ccccc1)c1c([O-])[nH]c(=O)n(CCc2ccccc2)c1=O c1ccc(cc1)C[*:1] O=C(/C=C/c1ccccc1)c1c([O-])[nH]c(=O)n(C[*:1])c1=O
O=C(/C=C/c1ccccc1)c1c([O-])[nH]c(=O)n(CCc2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(C=C[*:1])c1c([O-])[nH]c(=O)n(CCc2ccccc2)c1=O
O=C(/C=C/c1ccccc1)c1c([O-])[nH]c(=O)n(CCc2ccccc2)c1=O c1ccc(cc1)[*:1] O=C(/C=C/c1ccccc1)c1c([O-])[nH]c(=O)n(CC[*:1])c1=O
O=C(/C=C/c1ccccc1)c1c([O-])[nH]c(=O)n(CCc2ccccc2)c1=O C(=C[*:1])c1ccccc1 O=C(c1c([O-])[nH]c(=O)n(CCc2ccccc2)c1=O)[*:1]
O=C(/C=C/c1ccccc1)c1c([O-])[nH]c(=O)n(CCc2ccccc2)c1=O c1ccc(cc1)CC[*:1] O=C(/C=C/c1ccccc1)c1c([O-])[nH]c(=O)n(c1=O)[*:1]
C[C@@H]1Nc2ncnn2[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)Nc1ccccc1 O=[N+]([O-])c1ccc(cc1)[*:1] C[C@@H]1Nc2ncnn2[C@@H]([C@H]1C(=O)Nc1ccccc1)[*:1]
C[C@@H]1Nc2ncnn2[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)Nc1ccccc1 O=C(Nc1ccccc1)[*:1] C[C@@H]1Nc2ncnn2[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H]1[*:1]
C[C@@H]1Nc2ncnn2[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)Nc1ccccc1 O=[N+]([O-])[*:1] C[C@@H]1Nc2ncnn2[C@@H](c2ccc(cc2)[*:1])[C@H]1C(=O)Nc1ccccc1
C[C@@H]1Nc2ncnn2[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)Nc1ccccc1 c1ccc(cc1)[*:1] C[C@@H]1Nc2ncnn2[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@H]1C(=O)N[*:1]
CC(C)([C@@H](O)CC1CCC1)[NH+]1CCCCCC1 C1CC(C1)[*:1] CC(C)([C@@H](O)C[*:1])[NH+]1CCCCCC1
CC(C)([C@@H](O)CC1CCC1)[NH+]1CCCCCC1 C1CC(C1)C[*:1] CC(C)([C@@H](O)[*:1])[NH+]1CCCCCC1
C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 N#Cc1ccccc1[*:1] C[C@@H](O[*:1])C(=O)NCC1(CCOCC1)c1cccc(Cl)c1
C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 N#Cc1ccccc1O[*:1] C[C@@H](C(=O)NCC1(CCOCC1)c1cccc(Cl)c1)[*:1]
C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 Clc1cccc(c1)[*:1] C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(CCOCC1)[*:1]
C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1CCCN(c2ncccn2)C1 c1cnc(nc1)[*:1] C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1CCCN(C1)[*:1]
Cc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CCNC1=NS(=O)(=O)c2ccccc21)N[*:1]
CC(C)c1cc(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 CC(C)[*:1] CN(C(=O)c1cc([nH]n1)[*:1])C1CCN(CC1)C(=O)OC(C)(C)C
CC(C)c1cc(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 CC(C)c1cc(n[nH]1)[*:1] CN(C(=O)[*:1])C1CCN(CC1)C(=O)OC(C)(C)C
CC(C)c1cc(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 CC(C)(C)[*:1] CC(C)c1cc(n[nH]1)C(=O)N(C)C1CCN(CC1)C(=O)O[*:1]
CC(=O)NC1(c2noc(-c3scnc3C3CC3)n2)CCCCCC1 c1nc(c(s1)[*:1])C1CC1 CC(=O)NC1(CCCCCC1)c1noc(n1)[*:1]
CC(=O)NC1(c2noc(-c3scnc3C3CC3)n2)CCCCCC1 CC(=O)N[*:1] c1nc(c(s1)-c1nc(no1)C1(CCCCCC1)[*:1])C1CC1
CC(=O)NC1(c2noc(-c3scnc3C3CC3)n2)CCCCCC1 C1CC1[*:1] CC(=O)NC1(CCCCCC1)c1noc(n1)-c1scnc1[*:1]
C[C@@](O)(CNC(=O)c1c(F)cccc1Cl)c1cccs1 c1csc(c1)[*:1] C[C@@](O)(CNC(=O)c1c(F)cccc1Cl)[*:1]
COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cccc3s2)cc1OC c1cncc(c1)C[*:1] COc1ccc(cc1OC)C(=O)N(c1nc2c(C)cccc2s1)[*:1]
COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cccc3s2)cc1OC COc1ccc(cc1OC)[*:1] Cc1cccc2sc(nc12)N(Cc1cccnc1)C(=O)[*:1]
COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cccc3s2)cc1OC c1cncc(c1)[*:1] COc1ccc(cc1OC)C(=O)N(C[*:1])c1nc2c(C)cccc2s1
COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cccc3s2)cc1OC Cc1cccc2sc(nc12)[*:1] COc1ccc(cc1OC)C(=O)N(Cc1cccnc1)[*:1]
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1NC(=O)C[*:1])S(=O)(=O)N1CCCCCC1
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1ccc(F)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1NC(=O)[*:1])S(=O)(=O)N1CCCCCC1
CCN(CC)C(=O)c1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 CCN(CC)C(=O)[*:1] C[C@@]1(Cc2ccccc2C(=O)O1)C(=O)Nc1ccc(cc1)[*:1]
Cc1cc(CN2CCN(C(=O)NCC(=O)Nc3ccc(Cl)cc3)CC2)no1 Cc1cc(C[*:1])no1 O=C(CNC(=O)N1CCN(CC1)[*:1])Nc1ccc(Cl)cc1
Cc1cc(CN2CCN(C(=O)NCC(=O)Nc3ccc(Cl)cc3)CC2)no1 Clc1ccc(cc1)[*:1] Cc1cc(CN2CCN(CC2)C(=O)NCC(=O)N[*:1])no1
Cc1cc(CN2CCN(C(=O)NCC(=O)Nc3ccc(Cl)cc3)CC2)no1 Cc1cc(no1)[*:1] O=C(CNC(=O)N1CCN(CC1)C[*:1])Nc1ccc(Cl)cc1
O=C(c1ccc(Cl)cc1)c1ccc(C2OCCO2)cc1 C1COC(O1)[*:1] O=C(c1ccc(Cl)cc1)c1ccc(cc1)[*:1]
Cc1cnc([C@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)s1 C1CO[C@@H](C1)[*:1] Cc1cnc(s1)[C@H](C)NC(=O)N(CC[NH+](C)C)C[*:1]
Cc1cnc([C@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)s1 C1CO[C@@H](C1)C[*:1] Cc1cnc(s1)[C@H](C)NC(=O)N(CC[NH+](C)C)[*:1]
Cc1cnc([C@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)s1 Cc1cnc(s1)[*:1] C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[*:1]
O=C(Oc1cccc(F)c1)c1ccc(N2CCNC2=O)cc1 Fc1cccc(c1)[*:1] O=C(O[*:1])c1ccc(cc1)N1CCNC1=O
O=C(Oc1cccc(F)c1)c1ccc(N2CCNC2=O)cc1 O=C1NCCN1[*:1] O=C(Oc1cccc(F)c1)c1ccc(cc1)[*:1]
O=C(CCn1ccccc1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)C[*:1] O=C(CCn1ccccc1=O)NC1CC[NH+](CC1)[*:1]
O=C(CCn1ccccc1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 O=c1ccccn1[*:1] O=C(CC[*:1])NC1CC[NH+](CC1)Cc1ccc(Cl)cc1
O=C(CCn1ccccc1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 O=c1ccccn1C[*:1] O=C(C[*:1])NC1CC[NH+](CC1)Cc1ccc(Cl)cc1
O=C(CCn1ccccc1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 Clc1ccc(cc1)[*:1] O=C(CCn1ccccc1=O)NC1CC[NH+](CC1)C[*:1]
CCN(Cc1cccs1)C(=O)Nc1cc(C)nn1Cc1ccccc1 c1ccc(cc1)C[*:1] CCN(Cc1cccs1)C(=O)Nc1cc(C)nn1[*:1]
CCN(Cc1cccs1)C(=O)Nc1cc(C)nn1Cc1ccccc1 c1csc(c1)C[*:1] CCN(C(=O)Nc1cc(C)nn1Cc1ccccc1)[*:1]
CCN(Cc1cccs1)C(=O)Nc1cc(C)nn1Cc1ccccc1 c1ccc(cc1)[*:1] CCN(Cc1cccs1)C(=O)Nc1cc(C)nn1C[*:1]
CCN(Cc1cccs1)C(=O)Nc1cc(C)nn1Cc1ccccc1 c1csc(c1)[*:1] CCN(C[*:1])C(=O)Nc1cc(C)nn1Cc1ccccc1
Cc1nc(C)c(CC(=O)NN=C(c2ccccc2)c2ccccc2)c(=O)[nH]1 c1ccc(cc1)[*:1] Cc1nc(C)c(CC(=O)NN=C(c2ccccc2)[*:1])c(=O)[nH]1
Cc1nc(C)c(CC(=O)NN=C(c2ccccc2)c2ccccc2)c(=O)[nH]1 Cc1nc(C)c(c(=O)[nH]1)[*:1] O=C(C[*:1])NN=C(c1ccccc1)c1ccccc1
Cc1cc(C)n2nc(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)nc2n1 FC(F)(F)[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N(C)Cc1ccc(cc1)O[*:1]
Cc1cc(C)n2nc(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)nc2n1 FC(F)(F)O[*:1] Cc1cc(C)n2nc(nc2n1)C(=O)N(C)Cc1ccc(cc1)[*:1]
CCN(c1[nH+]cnc(N(C)C)c1N)c1cccc2ccccc12 CN(C)[*:1] CCN(c1[nH+]cnc(c1N)[*:1])c1cccc2ccccc12
NNc1cc(COCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] O=[N+]([O-])[*:1] NNc1cc(ccc1[*:1])COCc1ccc(Cl)cc1
NNc1cc(COCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] Clc1ccc(cc1)[*:1] NNc1cc(ccc1[N+](=O)[O-])COC[*:1]
CCOC(=O)[C@@H](F)Oc1ccccc1C CCOC(=O)[*:1] Cc1ccccc1O[C@H](F)[*:1]
O=C(/C=C/c1ccco1)N1CCCc2cccc(F)c21 c1coc(c1)[*:1] O=C(C=C[*:1])N1CCCc2cccc(F)c21
CCNC(=O)N1CC[C@H]([NH2+][C@H](C)CCc2ccccc2F)C1 Fc1ccccc1[*:1] CCNC(=O)N1CC[C@@H](C1)[NH2+][C@H](C)CC[*:1]
CNC(=O)[C@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 CNC(=O)[*:1] O=c1[nH]c(nc2c(csc12)-c1ccccc1)N1CCC[C@@H](C1)[*:1]
CNC(=O)[C@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 c1ccc(cc1)[*:1] CNC(=O)[C@H]1CCCN(C1)c1nc2c(csc2c(=O)[nH]1)[*:1]
Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc1 Cc1ccc(cc1)[*:1] CN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1[*:1]
C[C@H](c1ccccn1)[C@@H](Br)c1ccc2c(c1)CCC2 c1ccc(nc1)[*:1] C[C@H]([C@@H](Br)c1ccc2CCCc2c1)[*:1]
c1cncc(-c2noc(CN3CCO[C@@H](Cn4cncn4)C3)n2)c1 c1cncc(c1)[*:1] c1ncn(C[C@H]2CN(CCO2)Cc2nc(no2)[*:1])n1
c1cncc(-c2noc(CN3CCO[C@@H](Cn4cncn4)C3)n2)c1 c1ncn(n1)[*:1] c1cncc(c1)-c1noc(CN2CCO[C@H](C2)C[*:1])n1
c1cncc(-c2noc(CN3CCO[C@@H](Cn4cncn4)C3)n2)c1 c1ncn(C[*:1])n1 c1cncc(c1)-c1noc(CN2CCO[C@@H](C2)[*:1])n1
COc1ccccc1NC(=O)CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O c1coc(c1)C[*:1] COc1ccccc1NC(=O)CC[C@@H]1N=C(O)N(C1=O)[*:1]
COc1ccccc1NC(=O)CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O c1coc(c1)[*:1] COc1ccccc1NC(=O)CC[C@@H]1N=C(O)N(C[*:1])C1=O
COc1ccccc1NC(=O)CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O COc1ccccc1[*:1] O=C(CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O)N[*:1]
C=CC[NH+](CC(=O)[O-])Cc1ccnc(C#N)c1 O=C([O-])[*:1] C=CC[NH+](Cc1ccnc(C#N)c1)C[*:1]
C=CC[NH+](CC(=O)[O-])Cc1ccnc(C#N)c1 C=CC[*:1] N#Cc1cc(ccn1)C[NH+](CC(=O)[O-])[*:1]
COc1ccc(C)cc1C1(CNS(=O)(=O)N2CCCCCC2)CCOCC1 COc1ccc(C)cc1[*:1] O=S(=O)(NCC1(CCOCC1)[*:1])N1CCCCCC1
CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)C1 c1ccc(cc1)[*:1] CCNC(=O)N1CC[C@H](C1)[NH2+][C@@H](C)C(c1ccccc1)[*:1]
Cc1ncccc1NC(=O)NC[C@H]1CCC[C@H]1C(=O)[O-] O=C([O-])[*:1] Cc1ncccc1NC(=O)NC[C@H]1CCC[C@@H]1[*:1]
O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([O-])nn1 [O-]c1ccc(nn1)[*:1] O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[*:1]
O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([O-])nn1 c1csc(c1)[*:1] O=C(NC[C@@H]([NH+]1CCCC1)[*:1])c1ccc([O-])nn1
CSC[C@@H]1CCN(C(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 CSC[*:1] CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@H](C2)[*:1])C1
CSC[C@@H]1CCN(C(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 CC(C)(C)[*:1] CSC[C@@H]1CCN(C1)C(=O)CC1CN(C1)C(=O)O[*:1]
O=C(/C=C(\c1ccccc1)C(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(/C=C(\c1ccccc1)C(F)(F)F)NC[C@H]1CCN(C1)[*:1]
O=C(/C=C(\c1ccccc1)C(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1 FC(F)(F)[*:1] O=C(C=C(c1ccccc1)[*:1])NC[C@H]1CCN(C1)c1ccccc1
O=C(/C=C(\c1ccccc1)C(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(/C=C(/C(F)(F)F)[*:1])NC[C@H]1CCN(C1)c1ccccc1
Cc1ccc([C@H]2C[NH2+]C[C@H](C3CC3)O2)cc1F C1CC1[*:1] Cc1ccc(cc1F)[C@H]1C[NH2+]C[C@H](O1)[*:1]
CC1(CNC(=O)Cc2cccs2)Cc2ccccc2C1 c1csc(c1)[*:1] CC1(CNC(=O)C[*:1])Cc2ccccc2C1
CC1(CNC(=O)Cc2cccs2)Cc2ccccc2C1 c1csc(c1)C[*:1] CC1(CNC(=O)[*:1])Cc2ccccc2C1
CCC[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(OC(C)C)cc1 CC(C)O[*:1] CCC[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(cc1)[*:1]
CCC[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(OC(C)C)cc1 CC(C)[*:1] CCC[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(cc1)O[*:1]
CCC[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(OC(C)C)cc1 CCC[*:1] CC(C)Oc1ccc(cc1)[C@H]1OCCC[C@@H]1C[NH2+][*:1]
CCc1nn(C)c(OC)c1CNC(=O)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)C[*:1] CCc1nn(C)c(OC)c1CNC(=O)N1CCN(CC1)[*:1]
CCc1nn(C)c(OC)c1CNC(=O)N1CCN(Cc2ccncc2)CC1 c1cc(ccn1)[*:1] CCc1nn(C)c(OC)c1CNC(=O)N1CCN(CC1)C[*:1]
CC1(C)C(=O)NCCN1C(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1 c1ccc(C[*:1])nc1 CC1(C)C(=O)NCCN1C(=O)[C@H]1CCC(=O)N(C1)[*:1]
CC1(C)C(=O)NCCN1C(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1 c1ccc(nc1)[*:1] CC1(C)C(=O)NCCN1C(=O)[C@H]1CCC(=O)N(C1)C[*:1]
CN(C)c1cccc([C@H]2CCCN2C[C@H](O)CN2CCOCC2)c1 C1CN(CCO1)C[*:1] CN(C)c1cccc(c1)[C@H]1CCCN1C[C@H](O)[*:1]
CN(C)c1cccc([C@H]2CCCN2C[C@H](O)CN2CCOCC2)c1 C1CN(CCO1)[*:1] CN(C)c1cccc(c1)[C@H]1CCCN1C[C@H](O)C[*:1]
CN(C)c1cccc([C@H]2CCCN2C[C@H](O)CN2CCOCC2)c1 CN(C)[*:1] O[C@H](CN1CCOCC1)CN1CCC[C@@H]1c1cccc(c1)[*:1]
O=C([O-])CSc1nnc(-c2cccc(Cl)c2)n1CC(=O)[O-] O=C([O-])[*:1] O=C([O-])CSc1nnc(-c2cccc(Cl)c2)n1C[*:1]
O=C([O-])CSc1nnc(-c2cccc(Cl)c2)n1CC(=O)[O-] O=C([O-])C[*:1] O=C([O-])CSc1nnc(-c2cccc(Cl)c2)n1[*:1]
O=C([O-])CSc1nnc(-c2cccc(Cl)c2)n1CC(=O)[O-] O=C([O-])[*:1] O=C([O-])Cn1c(nnc1-c1cccc(Cl)c1)SC[*:1]
O=C([O-])CSc1nnc(-c2cccc(Cl)c2)n1CC(=O)[O-] Clc1cccc(c1)[*:1] O=C([O-])CSc1nnc(n1CC(=O)[O-])[*:1]
O=C([O-])CSc1nnc(-c2cccc(Cl)c2)n1CC(=O)[O-] O=C([O-])C[*:1] O=C([O-])Cn1c(nnc1-c1cccc(Cl)c1)S[*:1]
O=C([O-])CSc1nnc(-c2cccc(Cl)c2)n1CC(=O)[O-] O=C([O-])CS[*:1] O=C([O-])Cn1c(nnc1[*:1])-c1cccc(Cl)c1
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C1C([O-])=C(C(=O)[*:1])[C@H](c2ccc3OCOc3c2)N1c1cccnc1
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 c1cncc(c1)[*:1] O=C(C1=C([O-])C(=O)N([C@H]1c1ccc2OCOc2c1)[*:1])c1ccc(Cl)cc1
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 O=C(c1ccc(Cl)cc1)[*:1] O=C1C([O-])=C([C@H](c2ccc3OCOc3c2)N1c1cccnc1)[*:1]
O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 c1cc2OCOc2cc1[*:1] O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1[*:1])c1ccc(Cl)cc1
C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 c1ccc(cc1)[*:1] C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cnc(s1)[*:1]
COCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23 COCCC[*:1] COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(nc2c31)C(=O)N[*:1]
COCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23 COCCCNC(=O)[*:1] COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(nc2c31)[*:1]
COCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23 COCC[*:1] COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(nc2c31)C(=O)NC[*:1]
COCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23 COC[*:1] COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(nc2c31)C(=O)NCC[*:1]
Cc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](C)C#N CC(C)[*:1] Cc1cccc(c1NC(=O)C(=O)NC[C@H](C)C#N)[*:1]
O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Fc1ccc(cc1)[*:1] O=C(N[*:1])[C@@H]1CC(=O)N(C1)c1ccc(Cl)cc1
O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 Clc1ccc(cc1)[*:1] O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(C1)[*:1]
COC(=O)c1oc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)cc1C COC(=O)[*:1] Cc1cc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)oc1[*:1]
COC(=O)c1oc(CN2C[C@H](C)OC[C@@H]2c2ccccc2)cc1C c1ccc(cc1)[*:1] COC(=O)c1oc(cc1C)CN1C[C@H](C)OC[C@H]1[*:1]
COc1ccc(O)c(C(=O)N2CCO[C@@H](C(N)=S)C2)c1 NC(=S)[*:1] COc1ccc(O)c(c1)C(=O)N1CCO[C@@H](C1)[*:1]
CCc1cccc(C)c1NCc1nc(-c2ccc(Cl)cc2)no1 Clc1ccc(cc1)[*:1] CCc1cccc(C)c1NCc1nc(no1)[*:1]
O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1ccc(Cl)c([N+](=O)[O-])c1 FC(F)(F)[*:1] O=c1c2ccc(cc2nc2/C(=C/c3ccc(Cl)c(c3)[N+](=O)[O-])CCn21)[*:1]
O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1ccc(Cl)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=c1c2ccc(cc2nc2/C(=C/c3ccc(Cl)c(c3)[*:1])CCn21)C(F)(F)F
Cc1cc(Nc2ccccc2C(=O)[O-])nc(N2CCCCC2)n1 O=C([O-])[*:1] Cc1cc(nc(n1)N1CCCCC1)Nc1ccccc1[*:1]
Cc1cc(Nc2ccccc2C(=O)[O-])nc(N2CCCCC2)n1 C1CCN(CC1)[*:1] Cc1cc(nc(n1)[*:1])Nc1ccccc1C(=O)[O-]
C=CCc1cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc(OC)c1OC C=CC[*:1] COc1cc(cc(c1OC)[*:1])C(=O)N1CCN(CC1)Cc1nc(N)c2ccccc2n1
C=CCc1cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc(OC)c1OC Nc1nc(nc2ccccc12)[*:1] C=CCc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)C[*:1]
Cc1ccn2c(=O)c(C(=O)N(C)C[C@@H]3CCCO3)cnc2c1 C1CO[C@@H](C1)[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)N(C)C[*:1]
Cc1ccn2c(=O)c(C(=O)N(C)C[C@@H]3CCCO3)cnc2c1 C1CO[C@@H](C1)C[*:1] Cc1ccn2c(=O)c(cnc2c1)C(=O)N(C)[*:1]
Cc1ccccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 Cc1ccccc1[*:1] N#Cc1cccnc1N1CCN(CC1)C(=O)N[*:1]
Cc1ccccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 N#Cc1cccnc1[*:1] Cc1ccccc1NC(=O)N1CCN(CC1)[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)nc1 c1nnnn1[*:1] Cc1ccc(nc1)NC(=O)[C@@H]1CCCN(C1)C(=O)Cc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)nc1 Cc1ccc(nc1)NC(=O)[*:1] O=C(Cc1ccc(cc1)-n1cnnn1)N1CCC[C@H](C1)[*:1]
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)nc1 Cc1ccc(nc1)[*:1] O=C(N[*:1])[C@@H]1CCCN(C1)C(=O)Cc1ccc(cc1)-n1cnnn1
C[C@@H](CC1CC1)[NH2+][C@H](C)c1ccc(F)cn1 C1CC1[*:1] C[C@@H](C[*:1])[NH2+][C@H](C)c1ccc(F)cn1
C[C@@H](CC1CC1)[NH2+][C@H](C)c1ccc(F)cn1 C1CC1C[*:1] C[C@@H]([NH2+][C@H](C)c1ccc(F)cn1)[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CC1)c1cccc(F)c1[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=[N+]([O-])c1c(F)cccc1N1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] O=[N+]([O-])c1c(F)cccc1N1CCN(CC1)S(=O)(=O)[*:1]
COc1ccccc1NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl c1ccc(cc1)[*:1] COc1ccccc1NC(=O)[C@]1(CC1(Cl)Cl)[*:1]
C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)C[NH+]1CCCCC1 Clc1ccc(cc1)[*:1] C[C@H](CNC(=O)NC[C@@H](O)[*:1])C[NH+]1CCCCC1
CCc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)ccn1 Clc1ccccc1C[*:1] CCc1cc(ccn1)C(=O)N[C@@H]1CC(=O)N(C1)[*:1]
CCc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)ccn1 Clc1ccccc1[*:1] CCc1cc(ccn1)C(=O)N[C@@H]1CC(=O)N(C1)C[*:1]
CCc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)ccn1 CCc1cc(ccn1)[*:1] O=C1C[C@H](CN1Cc1ccccc1Cl)NC(=O)[*:1]
CC(=O)NCC[C@H]1CN(Cc2cc3ccccc3[nH]c2=O)CCO1 CC(=O)NC[*:1] O=c1[nH]c2ccccc2cc1CN1CCO[C@H](C1)C[*:1]
CC(=O)NCC[C@H]1CN(Cc2cc3ccccc3[nH]c2=O)CCO1 CC(=O)N[*:1] O=c1[nH]c2ccccc2cc1CN1CCO[C@@H](CC[*:1])C1
CC(=O)NCC[C@H]1CN(Cc2cc3ccccc3[nH]c2=O)CCO1 CC(=O)NCC[*:1] O=c1[nH]c2ccccc2cc1CN1CCO[C@H](C1)[*:1]
O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1 O=C1CCCCCN1[*:1] O=C(CNC(=O)NCCC[*:1])Nc1ccc(F)c(F)c1
O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1 Fc1ccc(cc1F)[*:1] O=C(CNC(=O)NCCCN1CCCCCC1=O)N[*:1]
O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1 O=C1CCCCCN1C[*:1] O=C(CNC(=O)NCC[*:1])Nc1ccc(F)c(F)c1
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 C#CC[*:1] O=C(Nc1cc(F)ccc1O[*:1])C(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 C#CCO[*:1] O=C(Nc1cc(F)ccc1[*:1])C(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12
CSC[C@@H]1CCN(c2nccc(OCc3ccccc3)n2)C1 c1ccc(cc1)C[*:1] CSC[C@@H]1CCN(C1)c1nccc(n1)O[*:1]
CSC[C@@H]1CCN(c2nccc(OCc3ccccc3)n2)C1 c1ccc(cc1)[*:1] CSC[C@@H]1CCN(C1)c1nccc(n1)OC[*:1]
CSC[C@@H]1CCN(c2nccc(OCc3ccccc3)n2)C1 CSC[*:1] c1ccc(cc1)COc1ccnc(n1)N1CC[C@H](C1)[*:1]
[NH3+]CCc1ccc(C(=O)N2CCO[C@H](C(F)(F)F)C2)cc1 [NH3+]CC[*:1] O=C(c1ccc(cc1)[*:1])N1CCO[C@@H](C1)C(F)(F)F
[NH3+]CCc1ccc(C(=O)N2CCO[C@H](C(F)(F)F)C2)cc1 FC(F)(F)[*:1] [NH3+]CCc1ccc(cc1)C(=O)N1CCO[C@H](C1)[*:1]
CC(C)Oc1cccnc1C(=O)NCc1ccc(-n2ccnc2)cc1 CC(C)O[*:1] O=C(NCc1ccc(cc1)-n1ccnc1)c1ncccc1[*:1]
CC(C)Oc1cccnc1C(=O)NCc1ccc(-n2ccnc2)cc1 c1cn(cn1)[*:1] CC(C)Oc1cccnc1C(=O)NCc1ccc(cc1)[*:1]
CC(C)Oc1cccnc1C(=O)NCc1ccc(-n2ccnc2)cc1 CC(C)[*:1] O=C(NCc1ccc(cc1)-n1ccnc1)c1ncccc1O[*:1]
CCc1nn(C)cc1C[NH2+]CCn1ccnc1 c1cn(cn1)[*:1] CCc1nn(C)cc1C[NH2+]CC[*:1]
COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4cccc(OC)c4)CC3)C2=O)cc1 COc1ccc(cc1)C[*:1] COc1cccc(c1)C[NH+]1CCC2(CC1)C(=O)N(C(=O)N2C)[*:1]
COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4cccc(OC)c4)CC3)C2=O)cc1 COc1ccc(cc1)[*:1] COc1cccc(c1)C[NH+]1CCC2(CC1)C(=O)N(C[*:1])C(=O)N2C
COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4cccc(OC)c4)CC3)C2=O)cc1 COc1cccc(c1)[*:1] COc1ccc(cc1)CN1C(=O)N(C)C2(CC[NH+](CC2)C[*:1])C1=O
COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4cccc(OC)c4)CC3)C2=O)cc1 COc1cccc(c1)C[*:1] COc1ccc(cc1)CN1C(=O)N(C)C2(CC[NH+](CC2)[*:1])C1=O
CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1=O O=[N+]([O-])[*:1] CCc1ccccc1N1C[C@H](CC1=O)C(=O)Nc1ccc(cc1OC)[*:1]
CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1=O CCc1ccccc1[*:1] COc1cc(ccc1NC(=O)[C@H]1CC(=O)N(C1)[*:1])[N+](=O)[O-]
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)N1CCCCC1 O=C([O-])[*:1] C[C@@H]1[C@@H](CCN1C(=O)N1CCCCC1)[*:1]
CCC[C@@](C)(C/C=C/c1ccccc1)C(=O)[O-] CCC[*:1] C[C@@](C/C=C/c1ccccc1)(C(=O)[O-])[*:1]
CCC[C@@](C)(C/C=C/c1ccccc1)C(=O)[O-] O=C([O-])[*:1] CCC[C@@](C)(C/C=C/c1ccccc1)[*:1]
CCC[C@@](C)(C[NH2+]C(C)C)C[C@H]1CSc2ccccc21 CC(C)[*:1] CCC[C@@](C)(C[NH2+][*:1])C[C@H]1CSc2ccccc21
CCC[C@@](C)(C[NH2+]C(C)C)C[C@H]1CSc2ccccc21 CCC[*:1] CC(C)[NH2+]C[C@](C)(C[C@H]1CSc2ccccc21)[*:1]
CCn1ncc2c(C(=O)Nc3cc(OC)c(OC)cc3Cl)cc(-c3cccs3)nc21 c1csc(c1)[*:1] CCn1ncc2c(cc(nc21)[*:1])C(=O)Nc1cc(OC)c(cc1Cl)OC
CCc1ccc([C@H](COC)NC(=O)[C@@H]2CSC(=O)N2)o1 COC[*:1] CCc1ccc(o1)[C@H](NC(=O)[C@@H]1CSC(=O)N1)[*:1]
CCc1ccc([C@H](COC)NC(=O)[C@@H]2CSC(=O)N2)o1 O=C1N[C@@H](CS1)[*:1] CCc1ccc(o1)[C@H](COC)NC(=O)[*:1]
C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-n2cncn2)c(F)c1 c1ncn(n1)[*:1] C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(c(F)c1)[*:1]
C[NH+](CCCCN1C(=O)c2ccccc2C1=O)C1CCCCC1 C1CCC(CC1)[*:1] C[NH+](CCCCN1C(=O)c2ccccc2C1=O)[*:1]
COC(=O)c1ccc(COC(=O)c2sc(-c3cccs3)nc2C)o1 COC(=O)[*:1] Cc1nc(sc1C(=O)OCc1ccc(o1)[*:1])-c1cccs1
COC(=O)c1ccc(COC(=O)c2sc(-c3cccs3)nc2C)o1 c1csc(c1)[*:1] COC(=O)c1ccc(COC(=O)c2sc(nc2C)[*:1])o1
O=C(c1cccnc1Oc1ccccc1)N1CCC[C@@H](n2cccn2)C1 c1ccc(cc1)O[*:1] O=C(c1cccnc1[*:1])N1CCC[C@H](C1)n1cccn1
O=C(c1cccnc1Oc1ccccc1)N1CCC[C@@H](n2cccn2)C1 c1ccc(cc1)[*:1] O=C(c1cccnc1O[*:1])N1CCC[C@H](C1)n1cccn1
O=C(c1cccnc1Oc1ccccc1)N1CCC[C@@H](n2cccn2)C1 c1cnn(c1)[*:1] O=C(c1cccnc1Oc1ccccc1)N1CCC[C@@H](C1)[*:1]
O=c1ccc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2o1 O=[N+]([O-])[*:1] O=c1ccc2ccc(cc2o1)OCc1ccc(cc1)[*:1]
C[C@H](C(=O)Nc1c(-c2cccs2)nc2ccccn12)n1cncn1 c1ncn(n1)[*:1] C[C@H](C(=O)Nc1c(nc2ccccn12)-c1cccs1)[*:1]
C[C@H](C(=O)Nc1c(-c2cccs2)nc2ccccn12)n1cncn1 c1csc(c1)[*:1] C[C@H](C(=O)Nc1c(nc2ccccn12)[*:1])n1cncn1
CSc1nnnn1-c1cccc(NC(=O)c2cnc(C)cn2)c1 CSc1nnnn1[*:1] Cc1cnc(cn1)C(=O)Nc1cccc(c1)[*:1]
CSc1nnnn1-c1cccc(NC(=O)c2cnc(C)cn2)c1 Cc1cnc(cn1)[*:1] CSc1nnnn1-c1cccc(c1)NC(=O)[*:1]
CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)[O-] CC(C)(C)[*:1] C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2CC(=O)[O-])NC(=O)[*:1]
CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)[O-] O=C([O-])C[*:1] CC(C)(C)C(=O)Nc1nc2c(C[C@H]3[C@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@H]2[*:1])s1
CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)[O-] CC(C)(C)C(=O)N[*:1] C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(nc1[C@H]2CC(=O)[O-])[*:1]
CC(C)(C)C(=O)Nc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)[O-] O=C([O-])[*:1] CC(C)(C)C(=O)Nc1nc2c(C[C@H]3[C@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]2C[*:1])s1
Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCc2cccs2)cc1C c1csc(c1)C[*:1] Cc1ccc(cc1C)S(=O)(=O)/N=C(\[O-])CC[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCc2cccs2)cc1C c1csc(c1)[*:1] Cc1ccc(cc1C)S(=O)(=O)/N=C(\[O-])CCC[*:1]
Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCc2cccs2)cc1C c1csc(c1)CC[*:1] Cc1ccc(cc1C)S(=O)(=O)/N=C(\[O-])C[*:1]
CCN(CC)c1nc(N)c2c(N)n(-c3ccccc3C)c(=S)c(C#N)c2c1C#N CCN(CC)[*:1] Cc1ccccc1-n1c(N)c2c(N)nc(c(C#N)c2c(C#N)c1=S)[*:1]
CCN(CC)c1nc(N)c2c(N)n(-c3ccccc3C)c(=S)c(C#N)c2c1C#N Cc1ccccc1[*:1] CCN(CC)c1nc(N)c2c(N)n(c(=S)c(C#N)c2c1C#N)[*:1]
Fc1ccccc1[C@@H]1N=[NH+]C(=S)N1/N=C/c1ccc(Cl)cc1 Fc1ccccc1[*:1] S=C1[NH+]=N[C@H](N1/N=C/c1ccc(Cl)cc1)[*:1]
Fc1ccccc1[C@@H]1N=[NH+]C(=S)N1/N=C/c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] Fc1ccccc1[C@@H]1N=[NH+]C(=S)N1N=C[*:1]
CCc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)s1 CCc1ccc(s1)[*:1] O=S(=O)(NCC#CCOc1cccnc1)[*:1]
CCc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)s1 c1cncc(c1)O[*:1] CCc1ccc(s1)S(=O)(=O)NCC#CC[*:1]
CCc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)s1 c1cncc(c1)[*:1] CCc1ccc(s1)S(=O)(=O)NCC#CCO[*:1]
COCc1ccc(C(=O)Nc2cc(Cc3ccccc3)ccc2O)o1 c1ccc(cc1)C[*:1] COCc1ccc(o1)C(=O)Nc1cc(ccc1O)[*:1]
COCc1ccc(C(=O)Nc2cc(Cc3ccccc3)ccc2O)o1 c1ccc(cc1)[*:1] COCc1ccc(o1)C(=O)Nc1cc(ccc1O)C[*:1]
COCc1ccc(C(=O)Nc2cc(Cc3ccccc3)ccc2O)o1 COC[*:1] O=C(Nc1cc(ccc1O)Cc1ccccc1)c1ccc(o1)[*:1]
COCc1ccc(C(=O)Nc2cc(Cc3ccccc3)ccc2O)o1 COCc1ccc(o1)[*:1] O=C(Nc1cc(ccc1O)Cc1ccccc1)[*:1]
O=C(Nc1nnc(C2CCCCC2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1 c1csc(c1)[*:1] O=C(Nc1nnc(o1)C1CCCCC1)C1CCN(CC1)S(=O)(=O)[*:1]
O=C(Nc1nnc(C2CCCCC2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1 C1CCC(CC1)[*:1] O=C(Nc1nnc(o1)[*:1])C1CCN(CC1)S(=O)(=O)c1cccs1
CCO[C@H]1C[C@@H](Nc2cc(C)cc(F)c2)C12CCCC2 CCO[*:1] Cc1cc(F)cc(c1)N[C@@H]1C[C@@H](C12CCCC2)[*:1]
C[C@@H](SCc1cccc(Cl)c1)c1nc(N)nc(Nc2ccccc2)n1 Clc1cccc(c1)C[*:1] C[C@@H](S[*:1])c1nc(N)nc(n1)Nc1ccccc1
C[C@@H](SCc1cccc(Cl)c1)c1nc(N)nc(Nc2ccccc2)n1 Clc1cccc(c1)[*:1] C[C@@H](SC[*:1])c1nc(N)nc(n1)Nc1ccccc1
C[C@@H](SCc1cccc(Cl)c1)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)[*:1] C[C@@H](SCc1cccc(Cl)c1)c1nc(N)nc(n1)N[*:1]
C[C@@H](SCc1cccc(Cl)c1)c1nc(N)nc(Nc2ccccc2)n1 c1ccc(cc1)N[*:1] C[C@@H](SCc1cccc(Cl)c1)c1nc(N)nc(n1)[*:1]
COc1cc2oc(=O)c(CC(=O)N3CCN(CCO)CC3)c(C)c2cc1Cl OCC[*:1] COc1cc2oc(=O)c(CC(=O)N3CCN(CC3)[*:1])c(C)c2cc1Cl
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1=NN(c2ccccc2)C(=O)CN1 c1ccc(cc1)[*:1] O=C(NC[C@H]([NH+]1CCCC1)[*:1])C1=NN(C(=O)CN1)c1ccccc1
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1=NN(c2ccccc2)C(=O)CN1 c1ccc(cc1)[*:1] O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1=NN(C(=O)CN1)[*:1]
COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(N)=O)cc1 NC(=O)C[*:1] COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O[*:1])cc1
COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(N)=O)cc1 NC(=O)COC(=O)[*:1] COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3[*:1])cc1
COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(N)=O)cc1 NC(=O)[*:1] COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OC[*:1])cc1
COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(N)=O)cc1 COc1ccc(cc1)[*:1] NC(=O)COC(=O)c1c2CCCC(=C[*:1])c2nc2ccccc12
CCOc1ccc(C(=O)Nc2ccc(OC)cc2N)cc1 CCO[*:1] COc1ccc(NC(=O)c2ccc(cc2)[*:1])c(N)c1
CNC(=O)COC(=O)Cc1c(C)nn(CC(C)C)c1C CC(C)[*:1] CNC(=O)COC(=O)Cc1c(C)nn(C[*:1])c1C
CNC(=O)COC(=O)Cc1c(C)nn(CC(C)C)c1C CC(C)C[*:1] CNC(=O)COC(=O)Cc1c(C)nn(c1C)[*:1]
CNC(=O)COC(=O)Cc1c(C)nn(CC(C)C)c1C CNC(=O)C[*:1] Cc1nn(CC(C)C)c(C)c1CC(=O)O[*:1]
CNC(=O)COC(=O)Cc1c(C)nn(CC(C)C)c1C CNC(=O)[*:1] Cc1nn(CC(C)C)c(C)c1CC(=O)OC[*:1]
CCCN1CCC([NH2+]CC(C)(C)C(=O)[O-])CC1 CCC[*:1] CC(C)(C[NH2+]C1CCN(CC1)[*:1])C(=O)[O-]
CCCN1CCC([NH2+]CC(C)(C)C(=O)[O-])CC1 O=C([O-])[*:1] CCCN1CCC(CC1)[NH2+]CC(C)(C)[*:1]
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(Br)cc3)cc12 Brc1ccc(cc1)[*:1] COc1ccc(OC)c2[nH]c(=O)c(cc12)CCNC(=O)[*:1]
COC(=O)CC(=O)N1CCN(c2ccc(C)cc2C)CC1 COC(=O)[*:1] Cc1ccc(c(C)c1)N1CCN(CC1)C(=O)C[*:1]
COC(=O)CC(=O)N1CCN(c2ccc(C)cc2C)CC1 COC(=O)C[*:1] Cc1ccc(c(C)c1)N1CCN(CC1)C(=O)[*:1]
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 O=[N+]([O-])[*:1] C[C@H](C(=O)Nc1cccc(c1)[*:1])N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 O=[N+]([O-])c1cccc(c1)[*:1] C[C@H](C(=O)N[*:1])N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12
CCN1CCO[C@H](C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)C1 c1cc(ccn1)[*:1] CCN1CCO[C@@H](C1)C(=O)NCc1ccc(cc1)NC(=O)[*:1]
CCN1CCO[C@H](C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)C1 O=C(N[*:1])c1ccncc1 CCN1CCO[C@@H](C1)C(=O)NCc1ccc(cc1)[*:1]
CC(C)[C@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)N1CCCC1 FC(F)[*:1] CC(C)[C@H](N[C@@H](C)c1ccccc1O[*:1])C(=O)N1CCCC1
CC(C)[C@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)N1CCCC1 FC(F)O[*:1] CC(C)[C@H](N[C@@H](C)c1ccccc1[*:1])C(=O)N1CCCC1
CC(C)[C@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)N1CCCC1 O=C(N1CCCC1)[*:1] CC(C)[C@H](N[C@@H](C)c1ccccc1OC(F)F)[*:1]
CC(C)[C@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)N1CCCC1 CC(C)[*:1] C[C@H](N[C@H](C(=O)N1CCCC1)[*:1])c1ccccc1OC(F)F
C#CCNCc1nnc(C)n1C(C)C CC(C)[*:1] C#CCNCc1nnc(C)n1[*:1]
C#CCNCc1nnc(C)n1C(C)C C#CCN[*:1] Cc1nnc(C[*:1])n1C(C)C
C#CCNCc1nnc(C)n1C(C)C C#CC[*:1] Cc1nnc(CN[*:1])n1C(C)C
O=C(NCCc1ccccc1)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1 c1ccc(cc1)C[*:1] O=C(NC[*:1])[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1
O=C(NCCc1ccccc1)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1 c1ccc(cc1)CC[*:1] O=C(N[*:1])[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1
O=C(NCCc1ccccc1)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1 Fc1cccc(c1)[*:1] O=C(NCCc1ccccc1)[C@H]1CS[C@H](N1C(=O)c1ccccc1)[*:1]
O=C(NCCc1ccccc1)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCC[*:1])[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1
O=C(NCCc1ccccc1)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1 c1ccc(cc1)[*:1] O=C(NCCc1ccccc1)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)[*:1]
Cc1cccc(OCCC(=O)N[C@H](CO)c2ccccc2F)c1 Cc1cccc(c1)[*:1] O=C(CCO[*:1])N[C@H](CO)c1ccccc1F
Cc1cccc(OCCC(=O)N[C@H](CO)c2ccccc2F)c1 Fc1ccccc1[*:1] Cc1cccc(c1)OCCC(=O)N[C@H](CO)[*:1]
CC(C)N1CCN(C(=O)Cc2ccccc2)[C@@H](C(N)=O)C1 c1ccc(cc1)[*:1] CC(C)N1CCN(C(=O)C[*:1])[C@H](C1)C(N)=O
CC(C)N1CCN(C(=O)Cc2ccccc2)[C@@H](C(N)=O)C1 c1ccc(cc1)C[*:1] CC(C)N1CCN(C(=O)[*:1])[C@H](C1)C(N)=O
CC(C)N1CCN(C(=O)Cc2ccccc2)[C@@H](C(N)=O)C1 CC(C)[*:1] NC(=O)[C@H]1CN(CCN1C(=O)Cc1ccccc1)[*:1]
CC(C)N1CCN(C(=O)Cc2ccccc2)[C@@H](C(N)=O)C1 NC(=O)[*:1] CC(C)N1CCN(C(=O)Cc2ccccc2)[C@@H](C1)[*:1]
O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc(-c3cccnc3)n3c2CSC3)c1 c1ccc(cc1)C[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1cc(-c2cccnc2)n2CSCc12
O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc(-c3cccnc3)n3c2CSC3)c1 c1ccc(cc1)[*:1] O=C(NC[*:1])c1cccc(c1)NC(=O)c1cc(-c2cccnc2)n2CSCc12
O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc(-c3cccnc3)n3c2CSC3)c1 O=C(NCc1ccccc1)[*:1] O=C(Nc1cccc(c1)[*:1])c1cc(-c2cccnc2)n2CSCc12
O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc(-c3cccnc3)n3c2CSC3)c1 c1cncc(c1)[*:1] O=C(NCc1ccccc1)c1cccc(c1)NC(=O)c1cc(n2CSCc12)[*:1]
CCc1cccc(C(=O)NCCCNc2ncccn2)c1O c1cnc(nc1)[*:1] CCc1cccc(C(=O)NCCCN[*:1])c1O
CCc1cccc(C(=O)NCCCNc2ncccn2)c1O c1cnc(nc1)N[*:1] CCc1cccc(C(=O)NCCC[*:1])c1O
Cc1ccc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)cc1 Fc1ccccc1[*:1] Cc1ccc(cc1)C(=O)N[C@H](c1noc(C)n1)[*:1]
Cc1ccc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)cc1 Cc1nc(no1)[*:1] Cc1ccc(cc1)C(=O)N[C@H](c1ccccc1F)[*:1]
Cc1ccc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)cc1 Cc1ccc(cc1)[*:1] Cc1nc(no1)[C@@H](NC(=O)[*:1])c1ccccc1F
COC(OC)[C@@](C)(O)C=C(C)C CC(C)=C[*:1] COC(OC)[C@@](C)(O)[*:1]
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O NC(=O)c1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)N[*:1])C1=O)c1ccc(C#N)cc1
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O NC(=O)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)[*:1])C1=O)c1ccc(C#N)cc1
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O N#Cc1ccc(cc1)[*:1] C[C@@]1(NC(=O)N(CC(=O)Nc2ccc(cc2)C(N)=O)C1=O)[*:1]
CCOC(=O)[C@H](C)Nc1ccc2oc(=O)[nH]c2c1 CCOC(=O)[*:1] C[C@H](Nc1ccc2oc(=O)[nH]c2c1)[*:1]
Cc1ccccc1C(=O)Nn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O Cc1ccccc1[*:1] O=C(Nn1ccc2c(cnc3c(cnn32)-c2ccccc2)c1=O)[*:1]
Cc1ccccc1C(=O)Nn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O c1ccc(cc1)[*:1] Cc1ccccc1C(=O)Nn1ccc2c(cnc3c(cnn32)[*:1])c1=O
C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CCOc1ccccc1)C(=O)N(C)C[*:1]
C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)C[*:1] C[C@@H](CCOc1ccccc1)C(=O)N(C)[*:1]
C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)O[*:1] C[C@@H](CC[*:1])C(=O)N(C)Cc1ccccc1
C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1 c1ccc(cc1)[*:1] C[C@@H](CCO[*:1])C(=O)N(C)Cc1ccccc1
CCC(CC)CNC(=O)NCCc1cccs1 c1csc(c1)[*:1] CCC(CC)CNC(=O)NCC[*:1]
CCC(CC)CNC(=O)NCCc1cccs1 CCC(CC)[*:1] O=C(NCCc1cccs1)NC[*:1]
Cc1cncc(NC(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)c1 Cc1cncc(c1)[*:1] C[C@@H]([C@@H](C)NC(=O)C(=O)N[*:1])N1CCOCC1
Cc1cncc(NC(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)c1 C1CN(CCO1)[*:1] Cc1cncc(c1)NC(=O)C(=O)N[C@H](C)[C@H](C)[*:1]
CC(=O)Nc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1 CC(=O)N[*:1] O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(cc1)[*:1]
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)NCc1ncn(C)n1 Cn1cnc(n1)[*:1] Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)NC[*:1]
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)NCc1ncn(C)n1 CC(C)[*:1] Cc1nn(C[*:1])c(Cl)c1[C@H]1CCCN1C(=O)NCc1ncn(C)n1
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)NCc1ncn(C)n1 Cn1cnc(C[*:1])n1 Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)N[*:1]
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)NCc1ncn(C)n1 CC(C)C[*:1] Cc1nn(c(Cl)c1[C@H]1CCCN1C(=O)NCc1ncn(C)n1)[*:1]
COc1cc(C)ccc1OCC(=O)Nc1cccc(C(C)C)c1 CC(C)[*:1] COc1cc(C)ccc1OCC(=O)Nc1cccc(c1)[*:1]
CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)Nc1nccs1 CC(C)(C)[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)Nc1nccs1)C(=O)[*:1]
CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)Nc1nccs1 c1csc(n1)[*:1] CC[C@H]1CN(CC[C@H]1CC(=O)N[*:1])C(=O)C(C)(C)C
CN(C)C(=O)C[C@H](C#N)Nc1cccc(Cl)c1 CN(C)C(=O)[*:1] N#C[C@@H](C[*:1])Nc1cccc(Cl)c1
CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1 COC(=O)[*:1] CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)[*:1]
CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1 CC[C@H](C)[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)N[*:1]
CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1 CC[C@H](C)NC(=O)[*:1] COC(=O)c1ccc(cc1)C(=O)Nc1ccccc1[*:1]
Cn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1C1CC1 c1ccc(cc1)[*:1] Cn1c(nnc1C1CC1)SCC(=O)Nc1ccccc1S[*:1]
Cn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1C1CC1 C1CC1[*:1] Cn1c(nnc1[*:1])SCC(=O)Nc1ccccc1Sc1ccccc1
Cn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1C1CC1 c1ccc(cc1)S[*:1] Cn1c(nnc1C1CC1)SCC(=O)Nc1ccccc1[*:1]
Cn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1C1CC1 Cn1c(nnc1[*:1])C1CC1 O=C(CS[*:1])Nc1ccccc1Sc1ccccc1
CCc1ccc(CC(CO)(CO)c2ccccc2Cl)cc1 Clc1ccccc1[*:1] CCc1ccc(cc1)CC(CO)(CO)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1 c1ccc(cc1)[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@@H](O)C[*:1])[N+](=O)[O-]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1 O=[N+]([O-])[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1)[*:1]
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1NC(=O)C(=O)NC[C@@H](O)[*:1])[N+](=O)[O-]
C[NH2+][C@@H](CCC(F)(F)F)c1ccc(F)cc1C FC(F)(F)C[*:1] C[NH2+][C@@H](C[*:1])c1ccc(F)cc1C
C[NH2+][C@@H](CCC(F)(F)F)c1ccc(F)cc1C FC(F)(F)[*:1] C[NH2+][C@@H](CC[*:1])c1ccc(F)cc1C
OC/C=C/c1cccc(C(F)(F)F)c1 OCC=C[*:1] FC(F)(F)c1cccc(c1)[*:1]
OC/C=C/c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] OC/C=C/c1cccc(c1)[*:1]
CN(C[C@@H](O)C1CC1)c1ncnc2c1c(Br)nn2C O[C@@H](C1CC1)[*:1] CN(C[*:1])c1ncnc2c1c(Br)nn2C
CN(C[C@@H](O)C1CC1)c1ncnc2c1c(Br)nn2C O[C@H](C[*:1])C1CC1 CN(c1ncnc2c1c(Br)nn2C)[*:1]
CN(C[C@@H](O)C1CC1)c1ncnc2c1c(Br)nn2C C1CC1[*:1] CN(C[C@@H](O)[*:1])c1ncnc2c1c(Br)nn2C
CCCc1[nH]nc(O)c1Cc1c(F)cccc1Cl CCC[*:1] Oc1n[nH]c(c1Cc1c(F)cccc1Cl)[*:1]
C#CCOC(=O)c1cnc(SC)n1-c1ccccc1 C#CC[*:1] CSc1ncc(C(=O)O[*:1])n1-c1ccccc1
C#CCOC(=O)c1cnc(SC)n1-c1ccccc1 c1ccc(cc1)[*:1] C#CCOC(=O)c1cnc(SC)n1[*:1]
C#CCOC(=O)c1cnc(SC)n1-c1ccccc1 C#CCOC(=O)[*:1] CSc1ncc(n1-c1ccccc1)[*:1]
COC(=O)CCC(=O)NCc1ccc(Cl)nc1 COC(=O)[*:1] O=C(CC[*:1])NCc1ccc(Cl)nc1
COC(=O)CCC(=O)NCc1ccc(Cl)nc1 COC(=O)C[*:1] O=C(C[*:1])NCc1ccc(Cl)nc1
CCc1onc(C)c1NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 FC(F)(F)[*:1] CCc1onc(C)c1NC(=O)NC[C@@H](O)c1cccc(c1)[*:1]
CCc1onc(C)c1NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 CCc1onc(C)c1[*:1] O=C(NC[C@@H](O)c1cccc(c1)C(F)(F)F)N[*:1]
Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(Br)s1)C(=O)N2 Brc1ccc(s1)[*:1] Cc1ccc2NC(=O)[C@](O)(CC(=O)[*:1])c2c1
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCCCO OCCC[*:1] Cc1cn(nc1NC(=O)C(=O)N[*:1])-c1ccccc1Cl
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCCCO Clc1ccccc1[*:1] Cc1cn(nc1NC(=O)C(=O)NCCCO)[*:1]
Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCCCO OCC[*:1] Cc1cn(nc1NC(=O)C(=O)NC[*:1])-c1ccccc1Cl
Cc1nnc(-c2ccc(NC(=O)c3ccc(-n4cccc4)nc3)cc2)o1 c1ccn(c1)[*:1] Cc1nnc(o1)-c1ccc(cc1)NC(=O)c1ccc(nc1)[*:1]
Cc1nnc(-c2ccc(NC(=O)c3ccc(-n4cccc4)nc3)cc2)o1 Cc1nnc(o1)[*:1] O=C(Nc1ccc(cc1)[*:1])c1ccc(nc1)-n1cccc1
COc1ccccc1CCN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)C[NH+](C)C)nc21 COc1ccccc1CC[*:1] Cc1nc(nc2c1CCCN2[*:1])[C@@H]1CCCN1C(=O)C[NH+](C)C
COc1ccccc1CCN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)C[NH+](C)C)nc21 COc1ccccc1C[*:1] Cc1nc(nc2c1CCCN2C[*:1])[C@@H]1CCCN1C(=O)C[NH+](C)C
COc1ccccc1CCN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)C[NH+](C)C)nc21 COc1ccccc1[*:1] Cc1nc(nc2c1CCCN2CC[*:1])[C@@H]1CCCN1C(=O)C[NH+](C)C
Fc1ccc(Br)cc1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2ncnn21 Clc1ccc(cc1)[*:1] Fc1ccc(Br)cc1[C@@H]1CC(=Nc2ncnn21)[*:1]
Fc1ccc(Br)cc1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2ncnn21 Fc1ccc(Br)cc1[*:1] Clc1ccc(cc1)C1C[C@H](n2ncnc2N=1)[*:1]
CCN(Cc1ccccn1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 c1ccc(C[*:1])nc1 CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)[*:1]
CCN(Cc1ccccn1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 c1ccc(nc1)[*:1] CCN(C[*:1])C(=O)NCCc1cn2cccc(C)c2[nH+]1
O=[N+]([O-])/N=c1\nc(C(F)(F)F)cc([O-])[nH]1 FC(F)(F)[*:1] O=[N+]([O-])/N=c1\nc(cc([O-])[nH]1)[*:1]
COCC(=O)Nc1cc(C(F)(F)F)ccc1Cl FC(F)(F)[*:1] COCC(=O)Nc1cc(ccc1Cl)[*:1]
COCC(=O)Nc1cc(C(F)(F)F)ccc1Cl COC[*:1] O=C(Nc1cc(ccc1Cl)C(F)(F)F)[*:1]
O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 O=C(CS[*:1])N1CCOCC1 O=C(Nc1nnc(s1)[*:1])[C@H]1CC(=O)N(C1)c1ccccc1
O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 O=C(C[*:1])N1CCOCC1 O=C(Nc1nnc(S[*:1])s1)[C@H]1CC(=O)N(C1)c1ccccc1
O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 O=C(N1CCOCC1)[*:1] O=C(Nc1nnc(SC[*:1])s1)[C@H]1CC(=O)N(C1)c1ccccc1
O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 c1ccc(cc1)[*:1] O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(C1)[*:1]
COC(=O)C[C@@H](NC(=O)c1ccco1)c1cccs1 c1csc(c1)[*:1] COC(=O)C[C@@H](NC(=O)c1ccco1)[*:1]
COC(=O)C[C@@H](NC(=O)c1ccco1)c1cccs1 c1coc(c1)[*:1] COC(=O)C[C@@H](NC(=O)[*:1])c1cccs1
COC(=O)C[C@@H](NC(=O)c1ccco1)c1cccs1 COC(=O)C[*:1] O=C(N[C@@H](c1cccs1)[*:1])c1ccco1
COC(=O)C[C@@H](NC(=O)c1ccco1)c1cccs1 COC(=O)[*:1] O=C(N[C@H](C[*:1])c1cccs1)c1ccco1
Cc1ccc2c(c1)c(C[NH2+][C@H](C)Cn1ccnc1)nn2C c1cn(cn1)[*:1] Cc1ccc2c(c1)c(C[NH2+][C@H](C)C[*:1])nn2C
Cc1ccc2c(c1)c(C[NH2+][C@H](C)Cn1ccnc1)nn2C c1cn(cn1)C[*:1] Cc1ccc2c(c1)c(C[NH2+][C@H](C)[*:1])nn2C
Cc1ccc(CNC(=O)N2CCC[NH+](C(C)C)CC2)cc1F CC(C)[*:1] Cc1ccc(cc1F)CNC(=O)N1CCC[NH+](CC1)[*:1]
Cc1nn(-c2ccccc2)cc1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 O=C(N1CCCC1)[*:1] Cc1nn(cc1CN1CCN(CC1)[C@@H](C)[*:1])-c1ccccc1
Cc1nn(-c2ccccc2)cc1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 c1ccc(cc1)[*:1] Cc1nn(cc1CN1CCN(CC1)[C@@H](C)C(=O)N1CCCC1)[*:1]
Cc1nn(-c2ccccc2)cc1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 C[C@@H](C(=O)N1CCCC1)[*:1] Cc1nn(cc1CN1CCN(CC1)[*:1])-c1ccccc1
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(C)(C)CC(C)C)C1 CC[C@H](C)[*:1] CC(C)CC(C)(C)CNC(=O)[C@@H]1CCCN(C1)C(=O)[*:1]
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(C)(C)CC(C)C)C1 CC(C)CC(C)(C)[*:1] CC[C@H](C)C(=O)N1CCC[C@H](C1)C(=O)NC[*:1]
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(C)(C)CC(C)C)C1 CC(C)[*:1] CC[C@H](C)C(=O)N1CCC[C@H](C1)C(=O)NCC(C)(C)C[*:1]
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(C)(C)CC(C)C)C1 CC(C)C[*:1] CC[C@H](C)C(=O)N1CCC[C@H](C1)C(=O)NCC(C)(C)[*:1]
COCc1cc(Cn2ccc3nc(OC)c(C#N)cc3c2=O)n[nH]1 COCc1cc(n[nH]1)[*:1] COc1nc2ccn(C[*:1])c(=O)c2cc1C#N
COCc1cc(Cn2ccc3nc(OC)c(C#N)cc3c2=O)n[nH]1 COC[*:1] COc1nc2ccn(Cc3cc([nH]n3)[*:1])c(=O)c2cc1C#N
COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)NC(=O)c1cc(nc2onc(C)c12)[*:1]
COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 COc1ccc(cc1)[*:1] Cc1noc2nc(cc(C(=O)N[*:1])c12)-c1ccc(F)cc1
CNC(=O)c1cccc(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)c1 CNC(=O)[*:1] Clc1cccc2c1SCC[C@H]2[NH2+]Cc1cccc(c1)[*:1]
C[C@H](NC(=O)NCCC(=O)N(C)C)c1ccc(C(C)(C)C)cc1 CN(C)C(=O)CC[*:1] C[C@H](NC(=O)N[*:1])c1ccc(cc1)C(C)(C)C
C[C@H](NC(=O)NCCC(=O)N(C)C)c1ccc(C(C)(C)C)cc1 CC(C)(C)[*:1] C[C@H](NC(=O)NCCC(=O)N(C)C)c1ccc(cc1)[*:1]
C[C@H](NC(=O)NCCC(=O)N(C)C)c1ccc(C(C)(C)C)cc1 CN(C)C(=O)[*:1] C[C@H](NC(=O)NCC[*:1])c1ccc(cc1)C(C)(C)C
C[C@H](NC(=O)NCCC(=O)N(C)C)c1ccc(C(C)(C)C)cc1 CN(C)C(=O)C[*:1] C[C@H](NC(=O)NC[*:1])c1ccc(cc1)C(C)(C)C
CC(=O)N(/C=C/c1sc2ccccc2[n+]1C)c1ccccc1 c1ccc(cc1)[*:1] CC(=O)N(/C=C/c1sc2ccccc2[n+]1C)[*:1]
CNc1ccc(C(F)(F)F)cc1C(=O)NCCS(N)(=O)=O NS(=O)(=O)C[*:1] CNc1ccc(cc1C(=O)NC[*:1])C(F)(F)F
CNc1ccc(C(F)(F)F)cc1C(=O)NCCS(N)(=O)=O NS(=O)(=O)[*:1] CNc1ccc(cc1C(=O)NCC[*:1])C(F)(F)F
CNc1ccc(C(F)(F)F)cc1C(=O)NCCS(N)(=O)=O NS(=O)(=O)CC[*:1] CNc1ccc(cc1C(=O)N[*:1])C(F)(F)F
CNc1ccc(C(F)(F)F)cc1C(=O)NCCS(N)(=O)=O FC(F)(F)[*:1] CNc1ccc(cc1C(=O)NCCS(N)(=O)=O)[*:1]
CCOc1ccc2nc(NC(=O)C[NH+]3CCC(c4nnc(SC)n4C)CC3)sc2c1 CSc1nnc(n1C)[*:1] CCOc1ccc2nc(NC(=O)C[NH+]3CCC(CC3)[*:1])sc2c1
CCOc1ccc2nc(NC(=O)C[NH+]3CCC(c4nnc(SC)n4C)CC3)sc2c1 CCO[*:1] CSc1nnc(C2CC[NH+](CC2)CC(=O)Nc2nc3ccc(cc3s2)[*:1])n1C
C[NH+](Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 Clc1ccc2[nH]c(nc2c1)[*:1] C[NH+](Cc1nc(no1)C(c1ccccc1)c1ccccc1)C[*:1]
C[NH+](Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 c1ccc(cc1)[*:1] C[NH+](Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(no1)C(c1ccccc1)[*:1]
CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccccn2)cc1 CCC[*:1] C[C@@H](Sc1ccccn1)C(=O)c1ccc(cc1)NC(=O)[*:1]
CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccccn2)cc1 CCCC(=O)N[*:1] C[C@@H](Sc1ccccn1)C(=O)c1ccc(cc1)[*:1]
CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccccn2)cc1 c1ccc(nc1)S[*:1] CCCC(=O)Nc1ccc(cc1)C(=O)[C@@H](C)[*:1]
CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccccn2)cc1 c1ccc(nc1)[*:1] CCCC(=O)Nc1ccc(cc1)C(=O)[C@@H](C)S[*:1]
COc1cccc(C2=C[C@@H](C(=O)NC3CCCCCC3)N=N2)c1 C1CCCC(CC1)[*:1] COc1cccc(c1)C1=C[C@H](N=N1)C(=O)N[*:1]
CC(=O)NCCCN(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 CC(=O)NCC[*:1] CN(C[*:1])C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1
CC(=O)NCCCN(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 CC(=O)N[*:1] CN(CCC[*:1])C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1
CC(=O)NCCCN(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 CC(=O)NC[*:1] CN(CC[*:1])C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1
CC(=O)NCCCN(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 CC(=O)NCCC[*:1] CN(C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)[*:1]
[NH3+][C@H](Cc1ccc(Br)s1)[C@H]1CN2CCC[C@@H]2CO1 Brc1ccc(s1)[*:1] [NH3+][C@H](C[*:1])[C@H]1CN2CCC[C@@H]2CO1
Cc1ccc(C)c(CC(=O)N(CC(=O)[O-])CC(F)(F)F)c1 FC(F)(F)C[*:1] Cc1ccc(C)c(c1)CC(=O)N(CC(=O)[O-])[*:1]
Cc1ccc(C)c(CC(=O)N(CC(=O)[O-])CC(F)(F)F)c1 FC(F)(F)[*:1] Cc1ccc(C)c(c1)CC(=O)N(CC(=O)[O-])C[*:1]
Cc1ccc(C)c(CC(=O)N(CC(=O)[O-])CC(F)(F)F)c1 O=C([O-])[*:1] Cc1ccc(C)c(c1)CC(=O)N(CC(F)(F)F)C[*:1]
Cc1ccc(C)c(CC(=O)N(CC(=O)[O-])CC(F)(F)F)c1 O=C([O-])C[*:1] Cc1ccc(C)c(c1)CC(=O)N(CC(F)(F)F)[*:1]
COCCc1noc(-c2ccc(N[C@@H]3CCCc4ccccc43)nc2)n1 COCC[*:1] c1ccc2c(c1)CCC[C@H]2Nc1ccc(cn1)-c1nc(no1)[*:1]
COCCc1noc(-c2ccc(N[C@@H]3CCCc4ccccc43)nc2)n1 COC[*:1] c1ccc2c(c1)CCC[C@H]2Nc1ccc(cn1)-c1nc(C[*:1])no1
CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CCCCC2)c1 CC(C)(C)S(=O)(=O)C[*:1] O=C(CC1CCCCC1)Nc1cccc(c1)[*:1]
CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CCCCC2)c1 C1CCC(CC1)[*:1] CC(C)(C)S(=O)(=O)Cc1cccc(c1)NC(=O)C[*:1]
CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CCCCC2)c1 CC(C)(C)[*:1] O=C(CC1CCCCC1)Nc1cccc(c1)CS(=O)(=O)[*:1]
CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CCCCC2)c1 CC(C)(C)S(=O)(=O)[*:1] O=C(CC1CCCCC1)Nc1cccc(c1)C[*:1]
CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CCCCC2)c1 C1CCC(CC1)C[*:1] CC(C)(C)S(=O)(=O)Cc1cccc(c1)NC(=O)[*:1]
O=C(N[C@H]1CCSc2ccccc21)[C@H]1CCN(c2cccc(Br)c2)C1=O Brc1cccc(c1)[*:1] O=C(N[C@H]1CCSc2ccccc21)[C@H]1CCN(C1=O)[*:1]
Cc1nc(S[C@@H](C)C(=O)NC2CC2)nc(C)c1C C1CC1[*:1] Cc1nc(nc(C)c1C)S[C@@H](C)C(=O)N[*:1]
Cc1nc(S[C@@H](C)C(=O)NC2CC2)nc(C)c1C O=C(NC1CC1)[*:1] Cc1nc(nc(C)c1C)S[C@@H](C)[*:1]
CCN(CC)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 O=C1CCCN1[*:1] CCN(CC)C(=O)Nc1ccc(c(c1)OC)[*:1]
Cc1cc(CN2CCN(S(=O)(=O)N(C)CCC#N)CC2)no1 N#CC[*:1] Cc1cc(CN2CCN(CC2)S(=O)(=O)N(C)C[*:1])no1
Cc1cc(CN2CCN(S(=O)(=O)N(C)CCC#N)CC2)no1 N#CCC[*:1] Cc1cc(CN2CCN(CC2)S(=O)(=O)N(C)[*:1])no1
Cc1cc(CN2CCN(S(=O)(=O)N(C)CCC#N)CC2)no1 Cc1cc(C[*:1])no1 CN(CCC#N)S(=O)(=O)N1CCN(CC1)[*:1]
Cc1cc(CN2CCN(S(=O)(=O)N(C)CCC#N)CC2)no1 Cc1cc(no1)[*:1] CN(CCC#N)S(=O)(=O)N1CCN(CC1)C[*:1]
Cn1ccc(NC(=O)CN2CCO[C@@H](Cc3cccc4ccccc34)C2)n1 Cn1ccc(n1)NC(=O)[*:1] c1ccc2c(cccc2c1)C[C@H]1CN(CCO1)C[*:1]
Cn1ccc(NC(=O)CN2CCO[C@@H](Cc3cccc4ccccc34)C2)n1 Cn1ccc(n1)[*:1] O=C(CN1CCO[C@@H](Cc2cccc3ccccc23)C1)N[*:1]
CCn1c(SCC(N)=O)nnc1-c1cccc(C)c1 NC(=O)C[*:1] CCn1c(nnc1-c1cccc(C)c1)S[*:1]
CCn1c(SCC(N)=O)nnc1-c1cccc(C)c1 NC(=O)CS[*:1] CCn1c(nnc1[*:1])-c1cccc(C)c1
CCn1c(SCC(N)=O)nnc1-c1cccc(C)c1 NC(=O)[*:1] CCn1c(nnc1-c1cccc(C)c1)SC[*:1]
Cc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)C(=O)NC[C@@H](S(=O)(=O)c1ccc(Cl)cc1)[*:1]
Cc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 Clc1ccc(cc1)[*:1] Cc1ccc(cc1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)[*:1]
Cc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 Cc1ccc(cc1)[*:1] O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)[*:1]
Cc1nn(Cc2noc(C(=O)NC[C@H](O)c3ccccc3)n2)c(C)c1Br c1ccc(cc1)[*:1] Cc1nn(Cc2noc(n2)C(=O)NC[C@H](O)[*:1])c(C)c1Br
Cc1nn(Cc2noc(C(=O)NC[C@H](O)c3ccccc3)n2)c(C)c1Br O[C@H](c1ccccc1)[*:1] Cc1nn(Cc2noc(n2)C(=O)NC[*:1])c(C)c1Br
Cc1nn(Cc2noc(C(=O)NC[C@H](O)c3ccccc3)n2)c(C)c1Br Cc1nn(c(C)c1Br)[*:1] O=C(NC[C@H](O)c1ccccc1)c1nc(C[*:1])no1
Cc1cc(C(=O)CSc2nnc(C(C)(C)C)n2N)ccc1Br CC(C)(C)[*:1] Cc1cc(ccc1Br)C(=O)CSc1nnc(n1N)[*:1]
Cc1nnc2n1C[C@H](C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)CC2 c1coc(c1)[*:1] Cc1nnc2CC[C@H](Cn12)C(=O)Nc1ccc(Cl)cc1NC(=O)[*:1]
Cc1nnc2n1C[C@H](C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)CC2 O=C(N[*:1])c1ccco1 Cc1nnc2CC[C@H](Cn12)C(=O)Nc1ccc(Cl)cc1[*:1]
CCc1nc(CN2CC[NH+](C[C@H]3CCC[C@H](C)C3)CC2)no1 CCc1nc(no1)[*:1] C[C@H]1CCC[C@@H](C1)C[NH+]1CCN(CC1)C[*:1]
O=S(=O)(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] O=S(=O)(N[*:1])c1ccc(Cl)c(c1)S(=O)(=O)NC1CCCCC1
O=S(=O)(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC2CCCCC2)c1 C1CCC(CC1)[*:1] O=S(=O)(NC1CCCCC1)c1ccc(Cl)c(c1)S(=O)(=O)N[*:1]
Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(NCCc1csc(n1)N1CCCC1)NCC[*:1]
Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1 C1CCN(C1)[*:1] Cc1ccc(CCNC(=O)NCCc2csc(n2)[*:1])c(C)c1
O=C1CN(S(=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)CCN1 Fc1cc(F)cc(c1)[*:1] O=C1CN(CCN1)S(=O)(=O)c1cccc(c1)NC(=O)[*:1]
COC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)noc1C COC(=O)[*:1] Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1[*:1]
CCc1ccccc1NC(=O)C(=O)NC[C@H](C)C[C@@H](C)O C[C@@H](O)C[*:1] CCc1ccccc1NC(=O)C(=O)NC[C@H](C)[*:1]
CCc1ccccc1NC(=O)C(=O)NC[C@H](C)C[C@@H](C)O C[C@@H](O)[*:1] CCc1ccccc1NC(=O)C(=O)NC[C@H](C)C[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccco2)c1 CC(C)[*:1] Cc1ccc(c(c1)OCC(=O)N/N=C/c1ccco1)[*:1]
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccco2)c1 c1coc(c1)[*:1] Cc1ccc(c(c1)OCC(=O)NN=C[*:1])C(C)C
Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O C1CC1C(C[*:1])C1CC1 Cc1ccc2C(=O)N(CCC(=O)N[*:1])C(=O)c2c1
Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O C1CC1[*:1] Cc1ccc2C(=O)N(CCC(=O)NCC(C3CC3)[*:1])C(=O)c2c1
Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O C1CC1C(C1CC1)[*:1] Cc1ccc2C(=O)N(CCC(=O)NC[*:1])C(=O)c2c1
CN(C)c1ccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cn1 CN(C)[*:1] O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(nc1)[*:1]
Cc1ccc2nccc(C(=O)N3CCC[C@H](C(=O)c4cccc5ccccc45)C3)c2c1 c1ccc2c(cccc2c1)[*:1] Cc1ccc2nccc(C(=O)N3CCC[C@@H](C3)C(=O)[*:1])c2c1
CNC(=O)c1ccc(Cl)c(NCC(=O)OC)c1 COC(=O)[*:1] CNC(=O)c1ccc(Cl)c(c1)NC[*:1]
CNC(=O)c1ccc(Cl)c(NCC(=O)OC)c1 COC(=O)C[*:1] CNC(=O)c1ccc(Cl)c(c1)N[*:1]
CNC(=O)c1ccc(Cl)c(NCC(=O)OC)c1 CNC(=O)[*:1] COC(=O)CNc1cc(ccc1Cl)[*:1]
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 O=C(N[*:1])c1cccs1 C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)[*:1]
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 c1csc(c1)[*:1] C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)[*:1]
Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 FC(F)(F)[*:1] Cc1nc(ccc1C(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O)[*:1]
Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 NS(=O)(=O)c1ccc(cc1)[*:1] Cc1nc(ccc1C(=O)N1CCC(CC1)C(=O)N[*:1])C(F)(F)F
Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 NS(=O)(=O)[*:1] Cc1nc(ccc1C(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1])C(F)(F)F
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1 c1ccc(C[*:1])nc1 C[C@H](NC(=O)NCc1cccnc1)c1cccc(c1)O[*:1]
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1 c1ccc(nc1)[*:1] C[C@H](NC(=O)NCc1cccnc1)c1cccc(c1)OC[*:1]
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1 c1cncc(c1)C[*:1] C[C@H](NC(=O)N[*:1])c1cccc(c1)OCc1ccccn1
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1 c1ccc(CO[*:1])nc1 C[C@H](NC(=O)NCc1cccnc1)c1cccc(c1)[*:1]
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1 c1cncc(c1)[*:1] C[C@H](NC(=O)NC[*:1])c1cccc(c1)OCc1ccccn1
Cc1ccc(-c2nc(CSc3ncn[nH]3)co2)c(C)c1 c1n[nH]c(n1)[*:1] Cc1ccc(-c2nc(co2)CS[*:1])c(C)c1
Cc1ccc(-c2nc(CSc3ncn[nH]3)co2)c(C)c1 c1n[nH]c(n1)S[*:1] Cc1ccc(-c2nc(co2)C[*:1])c(C)c1
C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1 C[C@@H]1Cc2cc(ccc2O1)[*:1] O=C(NCc1cc(on1)[*:1])[C@H]1CC(=O)N(C1)c1ccc(Cl)cc1
C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1 Clc1ccc(cc1)[*:1] C[C@@H]1Cc2cc(ccc2O1)-c1cc(CNC(=O)[C@H]2CC(=O)N(C2)[*:1])no1
COc1ccc(C(=O)Nc2nc(Cc3nc(-c4cccs4)no3)cs2)cc1OC c1csc(c1)[*:1] COc1ccc(cc1OC)C(=O)Nc1nc(cs1)Cc1nc(no1)[*:1]
Cc1cccc2c(=O)n(CCC(=O)N(C)CCc3cccs3)cnc12 c1csc(c1)[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)N(C)CC[*:1]
Cc1cccc2c(=O)n(CCC(=O)N(C)CCc3cccs3)cnc12 c1csc(c1)C[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)N(C)C[*:1]
Cc1cccc2c(=O)n(CCC(=O)N(C)CCc3cccs3)cnc12 c1csc(c1)CC[*:1] Cc1cccc2c(=O)n(cnc12)CCC(=O)N(C)[*:1]
COc1ccc(Cc2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)cc1 COc1ccc(cc1)[*:1] CS(=O)(=O)NCc1ccc(o1)-c1nc(C[*:1])no1
COc1ccc(Cc2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)cc1 CS(=O)(=O)N[*:1] COc1ccc(cc1)Cc1noc(n1)-c1ccc(C[*:1])o1
COc1ccc(Cc2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)cc1 CS(=O)(=O)NC[*:1] COc1ccc(cc1)Cc1noc(n1)-c1ccc(o1)[*:1]
COCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2F)CC1 Fc1ccc(c(F)c1)[*:1] COCC[NH+]1CCC(CC1)CNC(=O)C(=O)N[*:1]
COCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2F)CC1 COC[*:1] O=C(NCC1CC[NH+](CC1)C[*:1])C(=O)Nc1ccc(F)cc1F
COCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2F)CC1 COCC[*:1] O=C(NCC1CC[NH+](CC1)[*:1])C(=O)Nc1ccc(F)cc1F
O=C(Nc1ccc(F)c(F)c1)c1cccc(NC(=O)c2cccn3cncc23)c1 Fc1ccc(cc1F)[*:1] O=C(N[*:1])c1cccc(c1)NC(=O)c1cccn2cncc12
C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@@H](c2ccccc2)O1 c1ccc(cc1)[*:1] C[C@@H]1CN(C[C@@H](O1)[*:1])C(=O)c1cc2cc(Cl)ccc2o1
O=C(Cc1cccs1)N1CCC[C@H](C(=O)N2CCOCC2)C1 c1csc(c1)C[*:1] O=C([C@H]1CCCN(C1)C(=O)[*:1])N1CCOCC1
O=C(Cc1cccs1)N1CCC[C@H](C(=O)N2CCOCC2)C1 c1csc(c1)[*:1] O=C(C[*:1])N1CCC[C@@H](C1)C(=O)N1CCOCC1
COc1ccc(F)cc1NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1 c1ccc(cc1)[*:1] COc1ccc(F)cc1NC(=O)NC[C@H]1CCO[C@@H]1[*:1]
O=C(c1cc(Cl)ccc1F)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 O=[N+]([O-])[*:1] O=C(c1cc(Cl)ccc1F)N1CCN(CC1)C(=O)c1ccc(cc1Cl)[*:1]
O=C(c1cc(Cl)ccc1F)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 Fc1ccc(Cl)cc1[*:1] O=C(c1ccc(cc1Cl)[N+](=O)[O-])N1CCN(CC1)C(=O)[*:1]
C#CCOc1ccc(NC(=O)c2ccc(-c3nc(C)n[nH]3)cc2)cc1 Cc1n[nH]c(n1)[*:1] C#CCOc1ccc(cc1)NC(=O)c1ccc(cc1)[*:1]
C#CCOc1ccc(NC(=O)c2ccc(-c3nc(C)n[nH]3)cc2)cc1 C#CC[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)Nc1ccc(cc1)O[*:1]
C#CCOc1ccc(NC(=O)c2ccc(-c3nc(C)n[nH]3)cc2)cc1 C#CCO[*:1] Cc1n[nH]c(n1)-c1ccc(cc1)C(=O)Nc1ccc(cc1)[*:1]
O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC([NH+]2CCCCC2)C1 Fc1ccc(c(Cl)c1)[*:1] O=C(c1coc(CO[*:1])n1)N1CC(C1)[NH+]1CCCCC1
O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC([NH+]2CCCCC2)C1 Fc1ccc(O[*:1])c(Cl)c1 O=C(c1coc(C[*:1])n1)N1CC(C1)[NH+]1CCCCC1
COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)c1 c1csc(c1)[*:1] COc1cccc(c1)N1C(=O)[C@H]2ON(c3ccccc3)[C@@H]([C@@H]2C1=O)[*:1]
COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)c1 COc1cccc(c1)[*:1] O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1[*:1]
COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)c1 c1ccc(cc1)[*:1] COc1cccc(c1)N1C(=O)[C@H]2ON([C@@H](c3cccs3)[C@@H]2C1=O)[*:1]
COCc1cc(C)nc2sc3c(c12)N[C@H](C)N(Cc1ccco1)C3=O c1coc(c1)[*:1] COCc1cc(C)nc2sc3C(=O)N(C[*:1])[C@@H](C)Nc3c12
COCc1cc(C)nc2sc3c(c12)N[C@H](C)N(Cc1ccco1)C3=O c1coc(c1)C[*:1] COCc1cc(C)nc2sc3C(=O)N([C@@H](C)Nc3c12)[*:1]
COCc1cc(C)nc2sc3c(c12)N[C@H](C)N(Cc1ccco1)C3=O COC[*:1] Cc1cc(c2c3N[C@H](C)N(Cc4ccco4)C(=O)c3sc2n1)[*:1]
Cc1nn(CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)c(C)c1[N+](=O)[O-] c1ccc(cc1)[*:1] Cc1nn(CC(=O)N[C@H]2C[C@H](C)N(C2)[*:1])c(C)c1[N+](=O)[O-]
Cc1nn(CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)c(C)c1[N+](=O)[O-] O=[N+]([O-])[*:1] Cc1nn(CC(=O)N[C@H]2C[C@H](C)N(C2)c2ccccc2)c(C)c1[*:1]
COc1ccc(C(=O)C2CCN(c3cc(CSC)ccn3)CC2)cc1 COc1ccc(cc1)[*:1] CSCc1ccnc(c1)N1CCC(CC1)C(=O)[*:1]
COc1ccc(C(=O)C2CCN(c3cc(CSC)ccn3)CC2)cc1 CSC[*:1] COc1ccc(cc1)C(=O)C1CCN(CC1)c1cc(ccn1)[*:1]
CSc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)CN2C(=O)c4ccccc4C2=O)CC3)cc1 CSc1ccc(cc1)[*:1] O=C(N[*:1])[C@H]1CC12CCN(CC2)C(=O)CN1C(=O)c2ccccc2C1=O
CSc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)CN2C(=O)c4ccccc4C2=O)CC3)cc1 O=C1c2ccccc2C(=O)N1[*:1] CSc1ccc(cc1)NC(=O)[C@H]1CC12CCN(CC2)C(=O)C[*:1]
CSc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)CN2C(=O)c4ccccc4C2=O)CC3)cc1 CSc1ccc(cc1)NC(=O)[*:1] O=C(CN1C(=O)c2ccccc2C1=O)N1CCC2(CC1)C[C@@H]2[*:1]
COC(=O)Cc1ccc(C[NH+]2CC(C)(C)C2(C)C)s1 COC(=O)C[*:1] CC1(C)C[NH+](Cc2ccc(s2)[*:1])C1(C)C
COC(=O)Cc1ccc(C[NH+]2CC(C)(C)C2(C)C)s1 COC(=O)[*:1] CC1(C)C[NH+](Cc2ccc(C[*:1])s2)C1(C)C
Cc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1 Cc1ccc(C)c(c1)[*:1] O=C(N[C@@H]1CCCc2cc(ccc21)OC(F)F)C(=O)N[*:1]
Cc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1 FC(F)O[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)N[C@@H]1CCCc2cc(ccc21)[*:1]
Cc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1 FC(F)[*:1] Cc1ccc(C)c(c1)NC(=O)C(=O)N[C@@H]1CCCc2cc(ccc21)O[*:1]
CSCC(=O)N(CC1CC[NH2+]CC1)C1CC1 CSC[*:1] O=C(N(CC1CC[NH2+]CC1)C1CC1)[*:1]
CSCC(=O)N(CC1CC[NH2+]CC1)C1CC1 C1CC1[*:1] CSCC(=O)N(CC1CC[NH2+]CC1)[*:1]
C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O c1ccc(cc1)[*:1] C[C@@H](Cn1ccnc1)NC(=O)c1ccc([nH]c1=O)[*:1]
C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O c1cn(cn1)[*:1] C[C@@H](C[*:1])NC(=O)c1ccc([nH]c1=O)-c1ccccc1
C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O c1cn(cn1)C[*:1] C[C@@H](NC(=O)c1ccc([nH]c1=O)-c1ccccc1)[*:1]
COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)c(OC)c1 O=S(=O)(NC1CC1)[*:1] COc1ccc(NC(=O)c2cc(c(Cl)cc2Cl)[*:1])c(c1)OC
COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)c(OC)c1 C1CC1[*:1] COc1ccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N[*:1])c(c1)OC
CCNC(=O)CNC(=O)C[C@H](C)c1cccc(OC)c1 CCNC(=O)[*:1] COc1cccc(c1)[C@@H](C)CC(=O)NC[*:1]
CCNC(=O)CNC(=O)C[C@H](C)c1cccc(OC)c1 CCNC(=O)C[*:1] COc1cccc(c1)[C@@H](C)CC(=O)N[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 CC(C)C[*:1] O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(cc1)NC(=O)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 CC(C)CC(=O)N[*:1] O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(cc1)[*:1]
CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 CC(C)[*:1] O=C(C[*:1])Nc1ccc(cc1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]
CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 O=C([O-])[*:1] CC(C)CC(=O)Nc1ccc(cc1)NC(=O)[C@@H]1CCCC[C@H]1[*:1]
CC1=N[C@@H]2C=CC(C(=O)N3CCC([C@@H](Cc4ccc(F)cc4F)N(C)C(=O)C4CC4)CC3)=CC2=C1C CN(C(=O)C1CC1)[*:1] CC1=N[C@@H]2C=CC(=CC2=C1C)C(=O)N1CCC(CC1)[C@@H](Cc1ccc(F)cc1F)[*:1]
CC1=N[C@@H]2C=CC(C(=O)N3CCC([C@@H](Cc4ccc(F)cc4F)N(C)C(=O)C4CC4)CC3)=CC2=C1C Fc1ccc(C[*:1])c(F)c1 CC1=N[C@@H]2C=CC(=CC2=C1C)C(=O)N1CCC(CC1)[C@@H](N(C)C(=O)C1CC1)[*:1]
CC1=N[C@@H]2C=CC(C(=O)N3CCC([C@@H](Cc4ccc(F)cc4F)N(C)C(=O)C4CC4)CC3)=CC2=C1C C1CC1[*:1] CC1=N[C@@H]2C=CC(=CC2=C1C)C(=O)N1CCC(CC1)[C@@H](Cc1ccc(F)cc1F)N(C)C(=O)[*:1]
CC1=N[C@@H]2C=CC(C(=O)N3CCC([C@@H](Cc4ccc(F)cc4F)N(C)C(=O)C4CC4)CC3)=CC2=C1C Fc1ccc(c(F)c1)[*:1] CC1=N[C@@H]2C=CC(=CC2=C1C)C(=O)N1CCC(CC1)[C@@H](C[*:1])N(C)C(=O)C1CC1
CC(C)[C@@H](CO)NC(=O)NC[C@H](C(C)C)N1CCOCC1 CC(C)[*:1] CC(C)[C@@H](CO)NC(=O)NC[C@H](N1CCOCC1)[*:1]
CC(C)[C@@H](CO)NC(=O)NC[C@H](C(C)C)N1CCOCC1 C1CN(CCO1)[*:1] CC(C)[C@@H](CO)NC(=O)NC[C@H](C(C)C)[*:1]
CC(C)[C@@H](CO)NC(=O)NC[C@H](C(C)C)N1CCOCC1 CC(C)[C@@H](CO)[*:1] CC(C)[C@@H](CNC(=O)N[*:1])N1CCOCC1
CC(C)[C@@H](CO)NC(=O)NC[C@H](C(C)C)N1CCOCC1 CC(C)[*:1] CC(C)[C@@H](CNC(=O)N[C@H](CO)[*:1])N1CCOCC1
CC(C)c1nnnn1CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 CC(C)[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)Cn1nnnc1[*:1]
CC(C)c1nnnn1CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 CC(C)c1nnnn1[*:1] Cn1cc[nH+]c1-c1cccc(c1)NC(=O)C[*:1]
COc1ccc([C@](C)(O)COC(C)C)cc1 CC(C)OC[*:1] COc1ccc(cc1)[C@](C)(O)[*:1]
COc1ccc([C@](C)(O)COC(C)C)cc1 CC(C)O[*:1] COc1ccc(cc1)[C@](C)(O)C[*:1]
COc1ccc([C@](C)(O)COC(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@](C)(O)CO[*:1]
O=c1[nH]c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc12 c1ccc2sc(nc2c1)[*:1] O=c1[nH]c(CN2CCC[C@H](C2)[*:1])nc2ccc(Cl)cc12
Cc1cccc(CS(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 N#Cc1ccc(c(F)c1)[*:1] Cc1cccc(c1)CS(=O)(=O)N[C@@H]1CCCN(C1)[*:1]
Cc1cccc(CS(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 Cc1cccc(c1)[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@H](C1)NS(=O)(=O)C[*:1]
Cc1cccc(CS(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 Cc1cccc(c1)C[*:1] N#Cc1ccc(c(F)c1)N1CCC[C@H](C1)NS(=O)(=O)[*:1]
CCOc1ccc([C@@H]2Oc3nc(SC)nnc3-c3cc(Cl)ccc3N2C(=O)CC)cc1 CCO[*:1] CCC(=O)N1c2ccc(Cl)cc2-c2nnc(nc2O[C@H]1c1ccc(cc1)[*:1])SC
CCOc1ccc([C@@H]2Oc3nc(SC)nnc3-c3cc(Cl)ccc3N2C(=O)CC)cc1 CCOc1ccc(cc1)[*:1] CCC(=O)N1c2ccc(Cl)cc2-c2nnc(nc2O[C@H]1[*:1])SC
C[C@H](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(C(F)(F)F)cc1 O=S1(=O)CC[C@H](C1)[*:1] C[C@H](CC(=O)N1CCN(CC1)[*:1])c1ccc(cc1)C(F)(F)F
C[C@H](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(C(F)(F)F)cc1 FC(F)(F)[*:1] C[C@H](CC(=O)N1CCN(CC1)[C@@H]1CCS(=O)(=O)C1)c1ccc(cc1)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl CC(C)(C)[*:1] C[C@@H](NC(=O)O[*:1])C(=O)[C@@H](C#N)c1ncc(cc1Cl)C(F)(F)F
C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl FC(F)(F)[*:1] C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(cc1Cl)[*:1]
C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl CC(C)(C)OC(=O)N[*:1] C[C@@H](C(=O)[C@@H](C#N)c1ncc(cc1Cl)C(F)(F)F)[*:1]
C[C@@H](C(N)=O)n1c(CCCl)nc2cc(Br)cnc21 ClCC[*:1] C[C@@H](C(N)=O)n1c(nc2cc(Br)cnc21)[*:1]
C[C@@H](C(N)=O)n1c(CCCl)nc2cc(Br)cnc21 NC(=O)[*:1] C[C@@H](n1c(CCCl)nc2cc(Br)cnc21)[*:1]
C[C@@H](C(N)=O)n1c(CCCl)nc2cc(Br)cnc21 C[C@@H](C(N)=O)[*:1] ClCCc1nc2cc(Br)cnc2n1[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N(C)C[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N(C)[*:1]
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 Cc1ccc(cc1)[*:1] CN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)[*:1]
COc1ccc([C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 O=S1(=O)CC[C@H](C1)[*:1] COc1ccc(cc1)[C@H]([NH2+]C[*:1])C(C)C
COc1ccc([C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 CC(C)[*:1] COc1ccc(cc1)[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[*:1]
Cn1ccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)cc1=O Fc1ccc(c(F)c1)[*:1] Cn1ccc(cc1=O)C(=O)NC1(CCOCC1)[*:1]
Cn1ccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)cc1=O Cn1ccc(cc1=O)[*:1] O=C(NC1(CCOCC1)c1ccc(F)cc1F)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1 c1ccc(cc1)[*:1] CC[C@H](C[*:1])NC(=O)N[C@H](C)Cn1cncn1
CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1 c1ccc(cc1)C[*:1] CC[C@H](NC(=O)N[C@H](C)Cn1cncn1)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1 c1ncn(C[*:1])n1 CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)[*:1]
CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1 c1ncn(n1)[*:1] CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)C[*:1]
COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)C[*:1] COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N[*:1]
COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1 c1ccc(cc1)[*:1] COc1nc2c(c(C)nn2[*:1])c(C)c1CCC(=O)NCc1ccc(Cl)cc1
COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NC[*:1]
CCOC(=O)c1ccc(Nc2nc3ccccc3c3nncn23)cc1 CCOC(=O)[*:1] c1ccc2c(c1)nc(Nc1ccc(cc1)[*:1])n1cnnc21
CCOC(=O)[C@@]1(CC)C[C@](C)(c2csc(N)n2)OC1=O CCOC(=O)[*:1] CC[C@]1(C[C@@](C)(OC1=O)c1csc(N)n1)[*:1]
CCOC(=O)[C@@]1(CC)C[C@](C)(c2csc(N)n2)OC1=O Nc1nc(cs1)[*:1] CCOC(=O)[C@@]1(CC)C[C@](C)(OC1=O)[*:1]
CC[C@@](C)([C@@H](O)CCC[C@@H]1CCCO1)[NH+]1CCCCC1 C1CO[C@@H](C1)C[*:1] CC[C@@](C)([C@@H](O)CC[*:1])[NH+]1CCCCC1
CC[C@@](C)([C@@H](O)CCC[C@@H]1CCCO1)[NH+]1CCCCC1 C1CO[C@@H](C1)[*:1] CC[C@@](C)([C@@H](O)CCC[*:1])[NH+]1CCCCC1
CCCc1cc(C(=O)N2CCC(Oc3cc[nH+]cc3)CC2)no1 CCC[*:1] O=C(c1cc(on1)[*:1])N1CCC(CC1)Oc1cc[nH+]cc1
COc1cccc2cc(C(=O)NC[C@H]([C@@H]3CCOC3)N3CCOCC3)oc12 C1CN(CCO1)[*:1] COc1cccc2cc(oc12)C(=O)NC[C@H]([C@@H]1CCOC1)[*:1]
Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCCO2)[NH+](C)C)cc1 C1CO[C@@H](C1)C[*:1] Cc1ccc(cc1)[C@H](CNC(=O)N(C)[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCCO2)[NH+](C)C)cc1 C1CO[C@@H](C1)[*:1] Cc1ccc(cc1)[C@H](CNC(=O)N(C)C[*:1])[NH+](C)C
Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCCO2)[NH+](C)C)cc1 Cc1ccc(cc1)[*:1] CN(C[C@@H]1CCCO1)C(=O)NC[C@H]([NH+](C)C)[*:1]
CCCSC[C@H](O)[C@H](C)CC CCC[*:1] CC[C@@H](C)[C@@H](O)CS[*:1]
CC(C)Cc1nnc(NC(=O)c2cccc(-n3nc([O-])ccc3=O)c2)s1 O=c1ccc([O-])nn1[*:1] CC(C)Cc1nnc(NC(=O)c2cccc(c2)[*:1])s1
CC(C)Cc1nnc(NC(=O)c2cccc(-n3nc([O-])ccc3=O)c2)s1 CC(C)[*:1] O=C(Nc1nnc(C[*:1])s1)c1cccc(c1)-n1nc([O-])ccc1=O
CC(C)Cc1nnc(NC(=O)c2cccc(-n3nc([O-])ccc3=O)c2)s1 CC(C)C[*:1] O=C(Nc1nnc(s1)[*:1])c1cccc(c1)-n1nc([O-])ccc1=O
Cc1csc(CN2CCN(c3[nH+]cccc3N)CC2)n1 Cc1csc(n1)[*:1] Nc1ccc[nH+]c1N1CCN(CC1)C[*:1]
C[C@@H](NC(=O)NC(C)(C)c1ccc(F)cc1Cl)[C@H]1CCCO1 C1CO[C@H](C1)[*:1] C[C@@H](NC(=O)NC(C)(C)c1ccc(F)cc1Cl)[*:1]
Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)on1 Cc1cc(on1)[*:1] C[C@H](C(=O)N[*:1])N1CCN(CC1)Cc1cccc(Cl)c1
Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)on1 Clc1cccc(c1)[*:1] Cc1cc(NC(=O)[C@@H](C)N2CCN(CC2)C[*:1])on1
Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)on1 Clc1cccc(c1)C[*:1] Cc1cc(NC(=O)[C@@H](C)N2CCN(CC2)[*:1])on1
COc1cccc(C(=O)CSc2nnc(CO)n2C2CC2)c1 C1CC1[*:1] COc1cccc(c1)C(=O)CSc1nnc(CO)n1[*:1]
NS(=O)(=O)Cc1cccc(NC(=O)c2n[nH]c3ccccc23)c1 NS(=O)(=O)[*:1] O=C(Nc1cccc(c1)C[*:1])c1n[nH]c2ccccc12
NS(=O)(=O)Cc1cccc(NC(=O)c2n[nH]c3ccccc23)c1 NS(=O)(=O)C[*:1] O=C(Nc1cccc(c1)[*:1])c1n[nH]c2ccccc12
O=S(=O)(/N=C(\[O-])[C@@H]1SCCc2ccccc21)C1CCCC1 C1CCC(C1)[*:1] O=S(=O)(/N=C(\[O-])[C@@H]1SCCc2ccccc21)[*:1]
CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 CCO[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 O=S(=O)(N1CCCC1)[*:1] CCOc1ccc(cc1)CC(=O)Nc1ccc(cc1)[*:1]
CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 CCOc1ccc(cc1)[*:1] O=C(C[*:1])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
O=C(Nc1ccccc1SCC(F)(F)F)C(=O)N1CCC[C@H](O)C1 FC(F)(F)[*:1] O=C(Nc1ccccc1SC[*:1])C(=O)N1CCC[C@H](O)C1
O=C(Nc1ccccc1SCC(F)(F)F)C(=O)N1CCC[C@H](O)C1 FC(F)(F)C[*:1] O=C(Nc1ccccc1S[*:1])C(=O)N1CCC[C@H](O)C1
O=C(Nc1ccccc1SCC(F)(F)F)C(=O)N1CCC[C@H](O)C1 FC(F)(F)CS[*:1] O=C(Nc1ccccc1[*:1])C(=O)N1CCC[C@H](O)C1
Cn1cc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)ccc1=O Cn1cc(ccc1=O)[*:1] O=C(NC1CCCC1)c1cc(n[nH]1)[C@@H]1CCCCN1C(=O)[*:1]
Cn1cc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)ccc1=O O=C(NC1CCCC1)[*:1] Cn1cc(ccc1=O)C(=O)N1CCCC[C@H]1c1cc([nH]n1)[*:1]
Cn1cc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)ccc1=O C1CCC(C1)[*:1] Cn1cc(ccc1=O)C(=O)N1CCCC[C@H]1c1cc([nH]n1)C(=O)N[*:1]
c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1 c1ccc(cc1)C[*:1] c1ccc(cc1)-n1nnnc1CSc1nnc(N[*:1])s1
c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)-n1nnnc1CSc1nnc(NC[*:1])s1
c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1 c1ccc(cc1)CN[*:1] c1ccc(cc1)-n1nnnc1CSc1nnc(s1)[*:1]
c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1 c1ccc(cc1)[*:1] c1ccc(cc1)CNc1nnc(SCc2nnnn2[*:1])s1
O=C([O-])C[C@H]([NH2+]Cc1ccco1)C(=O)Nc1cccc(O)c1 c1coc(c1)C[*:1] O=C([O-])C[C@H]([NH2+][*:1])C(=O)Nc1cccc(O)c1
O=C([O-])C[C@H]([NH2+]Cc1ccco1)C(=O)Nc1cccc(O)c1 c1coc(c1)[*:1] O=C([O-])C[C@H]([NH2+]C[*:1])C(=O)Nc1cccc(O)c1
O=C([O-])C[C@H]([NH2+]Cc1ccco1)C(=O)Nc1cccc(O)c1 Oc1cccc(c1)[*:1] O=C([O-])C[C@H]([NH2+]Cc1ccco1)C(=O)N[*:1]
O=C([O-])C[C@H]([NH2+]Cc1ccco1)C(=O)Nc1cccc(O)c1 O=C([O-])[*:1] O=C(Nc1cccc(O)c1)[C@H](C[*:1])[NH2+]Cc1ccco1
C[C@H]1OCC[C@@H]1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 c1ccc(cc1)[*:1] C[C@H]1OCC[C@@H]1C(=O)N1CCC(CC1)[C@H](O)[*:1]
CCO[C@H]1C[C@H](NC(=O)NCc2ncccc2C)C12CCCC2 Cc1cccnc1[*:1] CCO[C@H]1C[C@H](NC(=O)NC[*:1])C12CCCC2
CCO[C@H]1C[C@H](NC(=O)NCc2ncccc2C)C12CCCC2 CCO[*:1] Cc1cccnc1CNC(=O)N[C@H]1C[C@@H](C12CCCC2)[*:1]
C[C@H](Cn1cccn1)[NH2+]Cc1cccs1 c1csc(c1)[*:1] C[C@H](Cn1cccn1)[NH2+]C[*:1]
C[C@H](Cn1cccn1)[NH2+]Cc1cccs1 c1cnn(c1)[*:1] C[C@H](C[*:1])[NH2+]Cc1cccs1
CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1 c1cncc(c1)[*:1] CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@@H]1[*:1]
CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1 c1ccc(cc1)S[*:1] CN1C(=O)C[C@H](C(=O)NCCC[*:1])[C@H]1c1cccnc1
CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1 c1ccc(cc1)[*:1] CN1C(=O)C[C@H](C(=O)NCCCS[*:1])[C@H]1c1cccnc1
CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1 c1ccc(cc1)SC[*:1] CN1C(=O)C[C@H](C(=O)NCC[*:1])[C@H]1c1cccnc1
O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 c1cc2OCOc2cc1C[*:1] O=C(N[*:1])c1ccc(cc1)NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1
O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 c1cc2OCOc2cc1[*:1] O=C(NC[*:1])c1ccc(cc1)NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1
CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)noc2n1 FC(F)(F)[*:1] CC(C)c1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)CC[C@@H]1CCCO1)[*:1]
CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)noc2n1 C1CO[C@@H](C1)C[*:1] CC(C)c1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)C[*:1])C(F)(F)F
CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)noc2n1 C1CO[C@@H](C1)[*:1] CC(C)c1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)CC[*:1])C(F)(F)F
CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)noc2n1 C1CO[C@@H](C1)CC[*:1] CC(C)c1cc(c2c(noc2n1)[C@@H]1CCCN(C1)C(=O)[*:1])C(F)(F)F
CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)noc2n1 CC(C)[*:1] O=C(CC[C@@H]1CCCO1)N1CCC[C@H](C1)c1noc2nc(cc(c12)C(F)(F)F)[*:1]
CC[C@H](C)CN(C)C(=O)NCc1cccc(NC(C)=O)c1 CC[C@H](C)[*:1] CC(=O)Nc1cccc(c1)CNC(=O)N(C)C[*:1]
CC[C@H](C)CN(C)C(=O)NCc1cccc(NC(C)=O)c1 CC(=O)N[*:1] CC[C@H](C)CN(C)C(=O)NCc1cccc(c1)[*:1]
C[C@H]([NH2+]CCc1nccn1C)[C@@H](C)C(=O)[O-] O=C([O-])[*:1] C[C@H]([NH2+]CCc1nccn1C)[C@@H](C)[*:1]
C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](O)C[C@H]1C1CCCCC1 C1CCC(CC1)[*:1] C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](O)C[C@@H]1[*:1]
C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](O)C[C@H]1C1CCCCC1 C#CCO[*:1] O=C(Nc1ccc(F)cc1[*:1])N1C[C@H](O)C[C@H]1C1CCCCC1
C#CCOc1cc(F)ccc1NC(=O)N1C[C@H](O)C[C@H]1C1CCCCC1 C#CC[*:1] O=C(Nc1ccc(F)cc1O[*:1])N1C[C@H](O)C[C@H]1C1CCCCC1
Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccs1 c1csc(c1)C[*:1] Cn1ncc(c1C(=O)N[*:1])[N+](=O)[O-]
Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccs1 O=[N+]([O-])[*:1] Cn1ncc(c1C(=O)NCc1cccs1)[*:1]
Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccs1 c1csc(c1)[*:1] Cn1ncc(c1C(=O)NC[*:1])[N+](=O)[O-]
C[C@H](C#N)[C@@H](O)c1cc(Cl)cs1 C[C@H](C#N)[*:1] O[C@@H](c1cc(Cl)cs1)[*:1]
Cc1cccn2c(=O)c(C(=O)NCc3n[nH]c(=S)n3C3CC3)cnc12 C1CC1[*:1] Cc1cccn2c(=O)c(cnc12)C(=O)NCc1n[nH]c(=S)n1[*:1]
CC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1C c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[C@H](c1ccccn1)[*:1]
CC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1C c1ccc(nc1)[*:1] CC(=O)c1ccc(cc1C)NC(=O)N[C@H](c1ccccc1)[*:1]
CC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1C CC(=O)[*:1] Cc1cc(ccc1[*:1])NC(=O)N[C@H](c1ccccc1)c1ccccn1
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1 c1ccc(cc1)[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[C@H]1CCO[C@@H]1[*:1])[N+](=O)[O-]
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1 O=[N+]([O-])[*:1] Cc1cc(C)c(c(C)c1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1)[*:1]
O=C(NCc1cn2cc(Br)ccc2n1)Nc1cn[nH]c1 c1n[nH]cc1[*:1] O=C(NCc1cn2cc(Br)ccc2n1)N[*:1]
CC(=O)c1ccc(NCC(C)(C)N2CCOCC2)c([N+](=O)[O-])c1 CC(=O)[*:1] CC(C)(CNc1ccc(cc1[N+](=O)[O-])[*:1])N1CCOCC1
CC(=O)c1ccc(NCC(C)(C)N2CCOCC2)c([N+](=O)[O-])c1 C1CN(CCO1)[*:1] CC(=O)c1ccc(NCC(C)(C)[*:1])c(c1)[N+](=O)[O-]
CC(=O)c1ccc(NCC(C)(C)N2CCOCC2)c([N+](=O)[O-])c1 O=[N+]([O-])[*:1] CC(=O)c1ccc(NCC(C)(C)N2CCOCC2)c(c1)[*:1]
COc1cc(/C=C/C(=O)N[C@@H](C)c2cn(C)nc2C)cc(OC)c1 Cc1nn(C)cc1[*:1] COc1cc(/C=C/C(=O)N[C@@H](C)[*:1])cc(c1)OC
O=C(/C=C/c1cc(Br)cs1)N[C@@H]1CCS(=O)(=O)C1 Brc1csc(c1)[*:1] O=C(C=C[*:1])N[C@@H]1CCS(=O)(=O)C1
CCOc1c(F)cccc1C(=O)Nc1ccccc1-n1nnnc1CC CCO[*:1] CCc1nnnn1-c1ccccc1NC(=O)c1cccc(F)c1[*:1]
CCOc1c(F)cccc1C(=O)Nc1ccccc1-n1nnnc1CC CCc1nnnn1[*:1] CCOc1c(F)cccc1C(=O)Nc1ccccc1[*:1]
O=c1c2ccccc2[nH]c(=S)n1CCS SCC[*:1] O=c1c2ccccc2[nH]c(=S)n1[*:1]
CCc1nc(C[NH+]2CCC(CNc3ccc(Cl)cn3)CC2)cs1 CCc1nc(cs1)[*:1] Clc1ccc(nc1)NCC1CC[NH+](CC1)C[*:1]
CCc1nc(C[NH+]2CCC(CNc3ccc(Cl)cn3)CC2)cs1 Clc1ccc(nc1)[*:1] CCc1nc(cs1)C[NH+]1CCC(CC1)CN[*:1]
Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC1=CCCC1 c1cncc(c1)[*:1] Cc1nc(sc1[C@H](C)[NH2+]CCC1=CCCC1)[*:1]
Cc1nc2cc([C@@H]3CCCCN3C(=O)[C@@H]3CCOC3)nn2c(O)c1C C1C[C@H](CO1)[*:1] Cc1nc2cc(nn2c(O)c1C)[C@@H]1CCCCN1C(=O)[*:1]
C[C@H](C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1)n1cccn1 c1cnn(c1)[*:1] C[C@H](C(=O)Nc1cccc(c1)-c1ccc2OCCc2c1)[*:1]
N#CCc1cccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 N#CC[*:1] O=C(c1cccc(c1)[*:1])N1CCN(CC1)[C@@H]1CCC[C@@H]1O
CCOC(=O)[C@@]1(C)C/C(=N/c2cccc(C(=O)[O-])c2)C(=O)N1c1ccccc1 CCOC(=O)[*:1] C[C@]1(C/C(=N/c2cccc(c2)C(=O)[O-])C(=O)N1c1ccccc1)[*:1]
CCOC(=O)[C@@]1(C)C/C(=N/c2cccc(C(=O)[O-])c2)C(=O)N1c1ccccc1 O=C([O-])c1cccc(c1)[*:1] CCOC(=O)[C@@]1(C)CC(=N[*:1])C(=O)N1c1ccccc1
CCOC(=O)[C@@]1(C)C/C(=N/c2cccc(C(=O)[O-])c2)C(=O)N1c1ccccc1 O=C([O-])[*:1] CCOC(=O)[C@@]1(C)C/C(=N/c2cccc(c2)[*:1])C(=O)N1c1ccccc1
CCOC(=O)[C@@]1(C)C/C(=N/c2cccc(C(=O)[O-])c2)C(=O)N1c1ccccc1 c1ccc(cc1)[*:1] CCOC(=O)[C@@]1(C)C/C(=N/c2cccc(c2)C(=O)[O-])C(=O)N1[*:1]
Cc1ccccc1C1=NO[C@@H](CC2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCOCC2)C1 O=S1(=O)CC[C@@H](C1)[*:1] Cc1ccccc1C1C[C@H](CC2(CCOCC2)C(=O)N[*:1])ON=1
Cc1ccccc1C1=NO[C@@H](CC2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCOCC2)C1 Cc1ccccc1[*:1] O=C(N[C@H]1CCS(=O)(=O)C1)C1(CCOCC1)C[C@H]1CC(=NO1)[*:1]
Cn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c1-c1ccccc1OC2 c1coc(c1)[*:1] Cn1nc(C(=O)N2CCN(CC2)C(=O)[*:1])c2COc3ccccc3-c21
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)N1CCCCC1)Nc1cccc(c1)[*:1]
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 O=[N+]([O-])c1cccc(c1)[*:1] O=C(Cc1ccc(cc1)S(=O)(=O)N1CCCCC1)N[*:1]
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 O=S(=O)(N1CCCCC1)[*:1] O=C(Cc1ccc(cc1)[*:1])Nc1cccc(c1)[N+](=O)[O-]
CCOC(=O)c1c(C)csc1NC(=O)c1occc1Br Brc1ccoc1[*:1] CCOC(=O)c1c(C)csc1NC(=O)[*:1]
CCOC(=O)c1c(C)csc1NC(=O)c1occc1Br CCOC(=O)[*:1] Cc1csc(NC(=O)c2occc2Br)c1[*:1]
CCCCCC(C)(C)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 CCCC[*:1] CC(C)(C[*:1])C(=O)N1CCN(CC1)C(=O)c1ccc(F)cc1
CCCCCC(C)(C)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 Fc1ccc(cc1)[*:1] CCCCCC(C)(C)C(=O)N1CCN(CC1)C(=O)[*:1]
CCCCCC(C)(C)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 CCCCCC(C)(C)[*:1] O=C(c1ccc(F)cc1)N1CCN(CC1)C(=O)[*:1]
CCCCCC(C)(C)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 CCC[*:1] CC(C)(CC[*:1])C(=O)N1CCN(CC1)C(=O)c1ccc(F)cc1
CCCCCC(C)(C)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 CCCCC[*:1] CC(C)(C(=O)N1CCN(CC1)C(=O)c1ccc(F)cc1)[*:1]
COc1cc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC Fc1cccc(c1)[*:1] COc1cc(cc(OC)c1OC)C(=O)N(C[*:1])[C@H]1CCS(=O)(=O)C1
COc1cc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC Fc1cccc(c1)C[*:1] COc1cc(cc(OC)c1OC)C(=O)N([C@H]1CCS(=O)(=O)C1)[*:1]
COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc1 Fc1ccc(cc1)[*:1] COc1ccc(cc1)-c1cnc(N)nc1[C@@H]1CCCN1C(=O)CC[*:1]
COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc1 Fc1ccc(cc1)CC[*:1] COc1ccc(cc1)-c1cnc(N)nc1[C@@H]1CCCN1C(=O)[*:1]
COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc1 Fc1ccc(cc1)C[*:1] COc1ccc(cc1)-c1cnc(N)nc1[C@@H]1CCCN1C(=O)C[*:1]
COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc1 COc1ccc(cc1)[*:1] Nc1ncc(c(n1)[C@@H]1CCCN1C(=O)CCc1ccc(F)cc1)[*:1]
Cc1nnc(SCCC(=O)Nc2cccc(F)c2)s1 Cc1nnc(s1)[*:1] O=C(CCS[*:1])Nc1cccc(F)c1
CCCCOC(=O)[C@@](C)(N)C(F)(F)F CCC[*:1] C[C@@](N)(C(=O)OC[*:1])C(F)(F)F
CCCCOC(=O)[C@@](C)(N)C(F)(F)F CCCC[*:1] C[C@@](N)(C(=O)O[*:1])C(F)(F)F
CCCCOC(=O)[C@@](C)(N)C(F)(F)F FC(F)(F)[*:1] CCCCOC(=O)[C@@](C)(N)[*:1]
COc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1 COc1cccc(c1)[*:1] COc1ccc(C(=O)N2CCC(CC2)C(=O)NC[*:1])c2ccccc12
COc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1 COc1cccc(c1)C[*:1] COc1ccc(C(=O)N2CCC(CC2)C(=O)N[*:1])c2ccccc12
CC(C)CO[C@@H]1CC[C@H](O)C1 CC(C)[*:1] O[C@H]1CC[C@H](C1)OC[*:1]
COc1ccc(-c2noc(C[NH+]3CCN(Cn4c(=O)n(C)c5ccccc54)CC3)n2)cc1 COc1ccc(cc1)[*:1] Cn1c(=O)n(CN2CC[NH+](CC2)Cc2nc(no2)[*:1])c2ccccc21
CCc1ccc([C@H](CO)NC(=O)c2cnn(C(C)(C)C)c2)cc1 CC(C)(C)[*:1] CCc1ccc(cc1)[C@H](CO)NC(=O)c1cnn(c1)[*:1]
Cc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)cc1 Cc1ccc(cc1)C[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)N[*:1])n2Cc1ccccc1
Cc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)cc1 Cc1ccc(cc1)CNC(=O)[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)cc(n2Cc1ccccc1)[*:1]
Cc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)cc1 c1ccc(cc1)[*:1] Cc1ccc(cc1)CNC(=O)c1cc2cc(ccc2n1C[*:1])S(=O)(=O)N(C)C
Cc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)cc1 c1ccc(cc1)C[*:1] Cc1ccc(cc1)CNC(=O)c1cc2cc(ccc2n1[*:1])S(=O)(=O)N(C)C
Cc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)cc1 Cc1ccc(cc1)[*:1] CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NC[*:1])n2Cc1ccccc1
Cc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)cc1 CN(C)S(=O)(=O)[*:1] Cc1ccc(cc1)CNC(=O)c1cc2cc(ccc2n1Cc1ccccc1)[*:1]
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1 Fc1ccc(cc1)[*:1] CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(o1)[*:1]
O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1 c1cncc(c1)[*:1] O=C(CCCO[*:1])Nc1scnc1-c1ccc(F)cc1
O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1 c1cncc(c1)OC[*:1] O=C(CC[*:1])Nc1scnc1-c1ccc(F)cc1
O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1 Fc1ccc(cc1)[*:1] O=C(CCCOc1cccnc1)Nc1scnc1[*:1]
O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1 c1cncc(c1)O[*:1] O=C(CCC[*:1])Nc1scnc1-c1ccc(F)cc1
O=C(Nc1ccccc1F)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 Fc1ccccc1[*:1] O=C(N[*:1])c1cc(=O)c2cc(Cl)cc(Cl)c2o1
CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1cc2ccccc2[nH]1 CC(C)[*:1] CN(C(=O)[C@@H]1CSCN1C(=O)c1cc2ccccc2[nH]1)[*:1]
CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1cc2ccccc2[nH]1 CC(C)N(C)C(=O)[*:1] O=C(c1cc2ccccc2[nH]1)N1CSC[C@H]1[*:1]
CC(C)(CNC(=O)c1cccc(F)n1)c1ccncc1 c1cc(ccn1)[*:1] CC(C)(CNC(=O)c1cccc(F)n1)[*:1]
Cn1cnn(-c2ccc(NCc3cnn(-c4ccc(F)cc4)c3)cc2)c1=O Cn1cnn(c1=O)[*:1] Fc1ccc(cc1)-n1cc(cn1)CNc1ccc(cc1)[*:1]
Cn1cnn(-c2ccc(NCc3cnn(-c4ccc(F)cc4)c3)cc2)c1=O Fc1ccc(cc1)[*:1] Cn1cnn(-c2ccc(cc2)NCc2cnn(c2)[*:1])c1=O
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC=CCC1 c1ccc(cc1)[*:1] O=C(Nc1ccc(cc1)O[*:1])[C@H]1CC=CCC1
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC=CCC1 c1ccc(cc1)O[*:1] O=C(Nc1ccc(cc1)[*:1])[C@H]1CC=CCC1
COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(O)c1 Oc1cccc(c1)[*:1] COC(=O)c1ccccc1S(=O)(=O)N[*:1]
COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(O)c1 COC(=O)[*:1] O=S(=O)(Nc1cccc(O)c1)c1ccccc1[*:1]
C[C@@H](OC(=O)c1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl Nc1ccc(cc1)[*:1] C[C@@H](OC(=O)[*:1])C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]
C[C@@H](OC(=O)c1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl O=[N+]([O-])[*:1] C[C@@H](OC(=O)c1ccc(N)cc1)C(=O)Nc1ccc(cc1Cl)[*:1]
CC(=O)c1ccc(OCc2nn(-c3ccccc3)c3c2CCC3)cc1F CC(=O)[*:1] Fc1cc(ccc1[*:1])OCc1nn(-c2ccccc2)c2CCCc12
CC(=O)c1ccc(OCc2nn(-c3ccccc3)c3c2CCC3)cc1F c1ccc(cc1)[*:1] CC(=O)c1ccc(cc1F)OCc1nn(c2CCCc12)[*:1]
C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)[C@@H](C)C1 O=C1OCCN1[*:1] C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(c2)[*:1])[C@@H](C)C1
CC[NH+](CC)[C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 c1csc(c1)[*:1] CC[NH+](CC)[C@@H]1CCc2c(C1)c(nn2C)C(=O)NC[*:1]
CC[NH+](CC)[C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 c1csc(c1)C[*:1] CC[NH+](CC)[C@@H]1CCc2c(C1)c(nn2C)C(=O)N[*:1]
CC1(C)CN(C(=O)Nc2ccc(OC(F)F)c(F)c2)CCS1 FC(F)O[*:1] CC1(C)CN(CCS1)C(=O)Nc1ccc(c(F)c1)[*:1]
CC1(C)CN(C(=O)Nc2ccc(OC(F)F)c(F)c2)CCS1 FC(F)[*:1] CC1(C)CN(CCS1)C(=O)Nc1ccc(O[*:1])c(F)c1
COc1ccc(N2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)cc1OC FC(F)(F)[*:1] COc1ccc(cc1OC)N1C[C@H](CC1=O)C(=O)NC[*:1]
COc1ccc(N2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)cc1OC FC(F)(F)C[*:1] COc1ccc(cc1OC)N1C[C@H](CC1=O)C(=O)N[*:1]
COc1ccc(N2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)cc1OC O=C(NCC(F)(F)F)[*:1] COc1ccc(cc1OC)N1C[C@@H](CC1=O)[*:1]
NC(=O)COc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1 NC(=O)[*:1] O=C(Nc1ccc(cc1)OC[*:1])N1CCC[C@H]1c1cccs1
NC(=O)COc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] NC(=O)COc1ccc(cc1)NC(=O)N1CCC[C@@H]1[*:1]
NC(=O)COc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1 NC(=O)CO[*:1] O=C(Nc1ccc(cc1)[*:1])N1CCC[C@H]1c1cccs1
NC(=O)COc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1 NC(=O)C[*:1] O=C(Nc1ccc(cc1)O[*:1])N1CCC[C@H]1c1cccs1
CC[C@H](C)[C@H]1CN(C[C@@H]2CN(C)CCO2)[C@H](C(C)C)C[NH2+]1 CC(C)[*:1] CC[C@H](C)[C@H]1CN(C[C@@H]2CN(C)CCO2)[C@H](C[NH2+]1)[*:1]
CC[C@H](C)[C@H]1CN(C[C@@H]2CN(C)CCO2)[C@H](C(C)C)C[NH2+]1 CC[C@H](C)[*:1] CC(C)[C@@H]1C[NH2+][C@H](CN1C[C@@H]1CN(C)CCO1)[*:1]
CC[C@H](C)[C@H]1CN(C[C@@H]2CN(C)CCO2)[C@H](C(C)C)C[NH2+]1 CN1CCO[C@@H](C1)[*:1] CC[C@H](C)[C@H]1CN(C[*:1])[C@@H](C[NH2+]1)C(C)C
CCCN(C[C@@H]1CCCCO1)c1cc(C)c([N+](=O)[O-])cn1 C1CC[C@H](OC1)[*:1] CCCN(C[*:1])c1cc(C)c(cn1)[N+](=O)[O-]
CCCN(C[C@@H]1CCCCO1)c1cc(C)c([N+](=O)[O-])cn1 C1CC[C@@H](C[*:1])OC1 CCCN(c1cc(C)c(cn1)[N+](=O)[O-])[*:1]
CCCN(C[C@@H]1CCCCO1)c1cc(C)c([N+](=O)[O-])cn1 CCC[*:1] Cc1cc(ncc1[N+](=O)[O-])N(C[C@@H]1CCCCO1)[*:1]
CCCN(C[C@@H]1CCCCO1)c1cc(C)c([N+](=O)[O-])cn1 O=[N+]([O-])[*:1] CCCN(C[C@@H]1CCCCO1)c1cc(C)c(cn1)[*:1]
Cc1nc(C(F)(F)F)nc(N2CCC[C@@H](c3ccn[nH]3)C2)c1C FC(F)(F)[*:1] Cc1nc(nc(c1C)N1CCC[C@H](C1)c1ccn[nH]1)[*:1]
Cc1nc(C(F)(F)F)nc(N2CCC[C@@H](c3ccn[nH]3)C2)c1C c1cc([nH]n1)[*:1] Cc1nc(nc(c1C)N1CCC[C@@H](C1)[*:1])C(F)(F)F
CCn1ccnc1SCCN1C(=O)NC2(CCCC2)C1=O CCn1ccnc1[*:1] O=C1NC2(CCCC2)C(=O)N1CCS[*:1]
Cc1nc(NC(=O)c2cccc(SC(C)C)c2)sc1C CC(C)S[*:1] Cc1nc(NC(=O)c2cccc(c2)[*:1])sc1C
Cc1nc(NC(=O)c2cccc(SC(C)C)c2)sc1C CC(C)[*:1] Cc1nc(NC(=O)c2cccc(c2)S[*:1])sc1C
O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCc3sccc3C2)nc1 c1ccc2c(c[nH]c2c1)[*:1] O=C(CC[*:1])Nc1ccc(nc1)N1CCc2sccc2C1
O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCc3sccc3C2)nc1 c1cc2CN(CCc2s1)[*:1] O=C(CCc1c[nH]c2ccccc12)Nc1ccc(nc1)[*:1]
CCCCCNC(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)C[*:1] CCCCCNC(=O)N(C)C[*:1]
CCCCCNC(=O)N(C)CCS(C)(=O)=O CCC[*:1] CN(CCS(C)(=O)=O)C(=O)NCC[*:1]
CCCCCNC(=O)N(C)CCS(C)(=O)=O CS(=O)(=O)[*:1] CCCCCNC(=O)N(C)CC[*:1]
CCCCCNC(=O)N(C)CCS(C)(=O)=O CCCC[*:1] CN(CCS(C)(=O)=O)C(=O)NC[*:1]
CCCCCNC(=O)N(C)CCS(C)(=O)=O CCCCC[*:1] CN(CCS(C)(=O)=O)C(=O)N[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1 CC(C)[*:1] C[C@@H](N[C@H](Cc1ccc(F)cc1)[*:1])c1nnc(o1)-c1cccs1
CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1 c1csc(c1)[*:1] CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(o1)[*:1]
CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1 Fc1ccc(cc1)[*:1] CC(C)[C@@H](C[*:1])N[C@H](C)c1nnc(o1)-c1cccs1
CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1 Fc1ccc(cc1)C[*:1] CC(C)[C@@H](N[C@H](C)c1nnc(o1)-c1cccs1)[*:1]
CO[C@@H](CNCc1ccc(-n2cncn2)cc1)c1ccc(F)cc1 c1ncn(n1)[*:1] CO[C@@H](CNCc1ccc(cc1)[*:1])c1ccc(F)cc1
CO[C@@H](CNCc1ccc(-n2cncn2)cc1)c1ccc(F)cc1 Fc1ccc(cc1)[*:1] CO[C@@H](CNCc1ccc(cc1)-n1cncn1)[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)CCOC(C)C)CC1 CC(C)[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)C(=O)CCO[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)CCOC(C)C)CC1 CCO[*:1] CC(C)OCCC(=O)N1CCN(CC1)C(=O)c1ccccc1[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)CCOC(C)C)CC1 CC(C)O[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)C(=O)CC[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)CCOC(C)C)CC1 CC(C)OCC[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)C(=O)[*:1]
CCOc1ccccc1C(=O)N1CCN(C(=O)CCOC(C)C)CC1 CC(C)OC[*:1] CCOc1ccccc1C(=O)N1CCN(CC1)C(=O)C[*:1]
O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 O=C1CCC(=O)N1[*:1] O=C(c1ccc(cc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1Cl
O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 Clc1ccccc1[*:1] O=C(c1ccc(cc1)N1C(=O)CCC1=O)N1CCN(CC1)S(=O)(=O)[*:1]
Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1 Cc1nc(cs1)[*:1] O=[S@@](CCSc1nnc(C[*:1])o1)c1ccccc1
Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1 Cc1nc(cs1)C[*:1] O=[S@@](CCSc1nnc(o1)[*:1])c1ccccc1
Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1 c1ccc(cc1)[*:1] Cc1nc(cs1)Cc1nnc(o1)SCC[S@](=O)[*:1]
O=C(N/N=C/c1ccc(Cl)cc1Cl)Nc1ccccc1 c1ccc(cc1)[*:1] O=C(N/N=C/c1ccc(Cl)cc1Cl)N[*:1]
CCOC(=O)c1c(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)sc2c1CCCC2 CCOC(=O)[*:1] O=C(C[NH+]1CCN(CC1)c1cccc(Cl)c1)Nc1sc2CCCCc2c1[*:1]
CCOC(=O)c1c(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)sc2c1CCCC2 Clc1cccc(c1)[*:1] CCOC(=O)c1c(NC(=O)C[NH+]2CCN(CC2)[*:1])sc2CCCCc21
Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1 O=C1CCCN1CCC[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)N[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1 O=C1CCCN1C[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)NCC[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1 O=C1CCCN1CC[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)NC[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1 O=C1CCCN1[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)NCCC[*:1])[C@H]1c1cccs1
Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1 c1csc(c1)[*:1] Cc1ccc(cc1)N1C(=O)C[C@H](C(=O)NCCCN2CCCC2=O)[C@@H]1[*:1]
Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1 Cc1ccc(cc1)[*:1] O=C(NCCCN1CCCC1=O)[C@H]1CC(=O)N([C@@H]1c1cccs1)[*:1]
COC(=O)[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)c(F)c1 c1ccc(cc1)OC[*:1] COC(=O)[C@H](NC(=O)[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)c(F)c1 c1ccc(cc1)O[*:1] COC(=O)[C@H](NC(=O)C[*:1])c1ccc(Cl)c(F)c1
COC(=O)[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)c(F)c1 COC(=O)[*:1] O=C(COc1ccccc1)N[C@H](c1ccc(Cl)c(F)c1)[*:1]
COC(=O)[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)c(F)c1 Fc1cc(ccc1Cl)[*:1] COC(=O)[C@H](NC(=O)COc1ccccc1)[*:1]
COC(=O)[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)c(F)c1 c1ccc(cc1)[*:1] COC(=O)[C@H](NC(=O)CO[*:1])c1ccc(Cl)c(F)c1
C[C@H](CNC(=O)[C@H]1CCCCC[C@@H]1[NH3+])C(=O)[O-] C[C@H](C(=O)[O-])[*:1] [NH3+][C@H]1CCCCC[C@@H]1C(=O)NC[*:1]
C[C@H](CNC(=O)[C@H]1CCCCC[C@@H]1[NH3+])C(=O)[O-] O=C([O-])[*:1] C[C@H](CNC(=O)[C@H]1CCCCC[C@@H]1[NH3+])[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1 Fc1ccc(cc1)[*:1] Cc1ccc(c(C)c1)S(=O)(=O)NCCC(=O)NN[*:1]
Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1 Cc1ccc(c(C)c1)[*:1] O=C(CCNS(=O)(=O)[*:1])NNc1ccc(F)cc1
COC(=O)N[C@H](Cc1ccccc1)C(N)=O COC(=O)N[*:1] NC(=O)[C@@H](Cc1ccccc1)[*:1]
COC(=O)N[C@H](Cc1ccccc1)C(N)=O NC(=O)[*:1] COC(=O)N[C@H](Cc1ccccc1)[*:1]
COc1ccccc1OCC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1 CC(C)[*:1] COc1ccccc1OCC(=O)N1CCN(CC1)c1ccc(c[nH+]1)-c1noc(n1)[*:1]
COc1ccccc1OCC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1 COc1ccccc1OC[*:1] CC(C)c1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)[*:1]
COc1ccccc1OCC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1 COc1ccccc1O[*:1] CC(C)c1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)C[*:1]
COc1ccccc1OCC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1 CC(C)c1nc(no1)[*:1] COc1ccccc1OCC(=O)N1CCN(CC1)c1ccc(c[nH+]1)[*:1]
COc1ccccc1OCC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1 COc1ccccc1[*:1] CC(C)c1nc(no1)-c1ccc([nH+]c1)N1CCN(CC1)C(=O)CO[*:1]
CCOc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccccc3S(C)(=O)=O)sc2c1 CCO[*:1] CS(=O)(=O)c1ccccc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccc(cc2s1)[*:1]
CCOc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccccc3S(C)(=O)=O)sc2c1 CS(=O)(=O)[*:1] CCOc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)c1ccccc1[*:1]
CCOc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccccc3S(C)(=O)=O)sc2c1 CS(=O)(=O)c1ccccc1[*:1] CCOc1ccc2nc(sc2c1)N(C[C@@H]1CCCO1)C(=O)[*:1]
O=C(N[C@@H](CO)c1ccco1)c1c[nH]nc1-c1ccc(Cl)cc1 Clc1ccc(cc1)[*:1] O=C(N[C@@H](CO)c1ccco1)c1c[nH]nc1[*:1]
O=C(N[C@@H](CO)c1ccco1)c1c[nH]nc1-c1ccc(Cl)cc1 c1coc(c1)[*:1] O=C(N[C@@H](CO)[*:1])c1c[nH]nc1-c1ccc(Cl)cc1
CSCC[C@@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 c1nc(no1)[*:1] CSCC[C@@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)[*:1]
CSCC[C@@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 CSCC[*:1] C[C@@H](N(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1)[*:1]
CSCC[C@@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 CSCC[C@@H](C)[*:1] CN(C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1)[*:1]
CSCC[C@@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 CSC[*:1] C[C@H](C[*:1])N(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1
CSCC[C@@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 Clc1ccc(cc1)[*:1] CSCC[C@@H](C)N(C)C(=O)N[C@H](c1ncon1)[*:1]
Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1 Cn1cc(cn1)[*:1] N#Cc1cccnc1NCCNC(=O)N[C@@H]1CCCN(C1)[*:1]
Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1 N#Cc1cccnc1N[*:1] Cn1cc(cn1)N1CCC[C@H](C1)NC(=O)NCC[*:1]
Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1 N#Cc1cccnc1[*:1] Cn1cc(cn1)N1CCC[C@H](C1)NC(=O)NCCN[*:1]
C#CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)CC1 C#CCO[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)C[*:1]
C#CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)CC1 C#CCOC[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)[*:1]
C#CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)CC1 C#CC[*:1] C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)CO[*:1]
Cc1occc1-c1nc(N2CCCCC2)ncc1-c1ccncc1 Cc1occc1[*:1] c1cc(ccn1)-c1cnc(nc1[*:1])N1CCCCC1
Cc1occc1-c1nc(N2CCCCC2)ncc1-c1ccncc1 c1cc(ccn1)[*:1] Cc1occc1-c1nc(ncc1[*:1])N1CCCCC1
Cc1occc1-c1nc(N2CCCCC2)ncc1-c1ccncc1 C1CCN(CC1)[*:1] Cc1occc1-c1nc(ncc1-c1ccncc1)[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1ccccc1 c1ccc(cc1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)[*:1]
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1ccccc1 O=C(C[*:1])c1ccccc1 O=c1c2ccccc2nc(S[*:1])n1-c1ccc(F)cc1F
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1ccccc1 Fc1ccc(c(F)c1)[*:1] O=C(CSc1nc2ccccc2c(=O)n1[*:1])c1ccccc1
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1ccccc1 O=C(c1ccccc1)[*:1] O=c1c2ccccc2nc(SC[*:1])n1-c1ccc(F)cc1F
C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1ccncc1 c1cc(ccn1)[*:1] C[C@@H]([NH2+][C@H]1CCCc2cccnc21)[*:1]
C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(-n2cncn2)cc1 c1ncn(n1)[*:1] C[C@H](NC(=O)c1cc2CCCCc2s1)c1ccc(cc1)[*:1]
C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 c1ccc2[nH]c(nc2c1)[*:1] C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)[*:1]
Cc1ccc(N2C[C@H](C(=O)N(c3ccc(C)cc3)[C@@H]3C=CS(=O)(=O)C3)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)N([C@@H]1C=CS(=O)(=O)C1)[*:1]
Cc1ccc(N2C[C@H](C(=O)N(c3ccc(C)cc3)[C@@H]3C=CS(=O)(=O)C3)CC2=O)cc1 Cc1ccc(cc1)[*:1] Cc1ccc(cc1)N(C(=O)[C@@H]1CC(=O)N(C1)[*:1])[C@@H]1C=CS(=O)(=O)C1
O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(Cc2nc3ccccc3s2)CC1 c1ccc2sc(C[*:1])nc2c1 O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(CC1)[*:1]
O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(Cc2nc3ccccc3s2)CC1 c1ccc2sc(nc2c1)[*:1] O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(CC1)C[*:1]
CC[C@](C)([C@@H]([NH2+]C)C1CCCC1)[NH+]1CCCCC1 C1CCC(C1)[*:1] CC[C@](C)([C@@H]([NH2+]C)[*:1])[NH+]1CCCCC1
CC[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1)c1c(C)nn(C)c1C NC(=O)[*:1] CC[C@H](NC(=O)C(=O)Nc1ccc(c(C)c1)[*:1])c1c(C)nn(C)c1C
CC[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1)c1c(C)nn(C)c1C Cc1nn(C)c(C)c1[*:1] CC[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1)[*:1]
COc1cc(C[NH2+]C[C@@H](C)C[C@@H](C)O)cc(Br)c1O C[C@@H](O)[*:1] COc1cc(cc(Br)c1O)C[NH2+]C[C@@H](C)C[*:1]
COc1cc(C[NH2+]C[C@@H](C)C[C@@H](C)O)cc(Br)c1O C[C@@H](O)C[*:1] COc1cc(cc(Br)c1O)C[NH2+]C[C@@H](C)[*:1]
COC(=O)c1cccc2nc(C=O)[nH]c12 COC(=O)[*:1] O=Cc1nc2cccc(c2[nH]1)[*:1]
Cn1ccnc1C(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 CC(C)(C)[*:1] Cn1ccnc1C(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)[*:1]
Cn1ccnc1C(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 Cn1ccnc1[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)C(=O)[*:1]
Cn1ccnc1C(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 Cn1ccnc1C(=O)[*:1] CC(C)(C)C(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)[*:1]
Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2)c(C)c1 c1ccc(cc1)[*:1] Cc1ccc(NC(=O)C(=O)N(C)C[*:1])c(C)c1
Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2)c(C)c1 c1ccc(cc1)C[*:1] Cc1ccc(NC(=O)C(=O)N(C)[*:1])c(C)c1
Cc1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)c(C)n1C1CC1 NC(=O)[*:1] Cc1cc(C(=O)Nc2ccc(cc2)OC[*:1])c(C)n1C1CC1
Cc1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)c(C)n1C1CC1 NC(=O)CO[*:1] Cc1cc(C(=O)Nc2ccc(cc2)[*:1])c(C)n1C1CC1
Cc1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)c(C)n1C1CC1 NC(=O)C[*:1] Cc1cc(C(=O)Nc2ccc(cc2)O[*:1])c(C)n1C1CC1
Cc1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)c(C)n1C1CC1 C1CC1[*:1] Cc1cc(C(=O)Nc2ccc(cc2)OCC(N)=O)c(C)n1[*:1]
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])[*:1] O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccccc1[*:1]
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 c1ccc(cc1)[*:1] O=C(CC(c1ccccc1)[*:1])N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 O=[N+]([O-])c1ccccc1[*:1] O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)S(=O)(=O)[*:1]